smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377434020 921820830 /nfs/dbraw/zinc/82/08/30/921820830.db2.gz MXMWIHNUVWBAOV-MNOVXSKESA-N 1 1 308.400 -1.524 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001377854204 921870136 /nfs/dbraw/zinc/87/01/36/921870136.db2.gz XFZQAAGKUZSTSK-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001376861181 921739012 /nfs/dbraw/zinc/73/90/12/921739012.db2.gz CEKQQWGARZJOCP-WCBMZHEXSA-N 1 1 316.387 -1.899 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001376863496 921739062 /nfs/dbraw/zinc/73/90/62/921739062.db2.gz NIWLMRRGERGGBI-NSHDSACASA-N 1 1 324.385 -1.212 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001376890666 921743185 /nfs/dbraw/zinc/74/31/85/921743185.db2.gz YARDAZJOTKUMJD-SCZZXKLOSA-N 1 1 310.358 -1.131 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001376886432 921743224 /nfs/dbraw/zinc/74/32/24/921743224.db2.gz XSCMJRVBAJAVJJ-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NCc2nnnn2C)C1 ZINC001376892598 921743288 /nfs/dbraw/zinc/74/32/88/921743288.db2.gz UDXOMQPYKXMHKY-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NCc2nnnn2C)C1 ZINC001376892598 921743298 /nfs/dbraw/zinc/74/32/98/921743298.db2.gz UDXOMQPYKXMHKY-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001376886423 921743658 /nfs/dbraw/zinc/74/36/58/921743658.db2.gz XSCMJRVBAJAVJJ-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001376899969 921743720 /nfs/dbraw/zinc/74/37/20/921743720.db2.gz IFHNILRRDGDCLB-LBPRGKRZSA-N 1 1 323.353 -1.383 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001376934753 921748709 /nfs/dbraw/zinc/74/87/09/921748709.db2.gz ACJRKUDPIUHNBK-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001376936535 921749838 /nfs/dbraw/zinc/74/98/38/921749838.db2.gz AIAUAMGRNYTYFD-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nncn1C ZINC001376941837 921753041 /nfs/dbraw/zinc/75/30/41/921753041.db2.gz WHROOOJEXKPDDZ-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376962859 921754312 /nfs/dbraw/zinc/75/43/12/921754312.db2.gz OVIDJEOQINAAPQ-ZJUUUORDSA-N 1 1 307.354 -1.044 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001376990893 921755191 /nfs/dbraw/zinc/75/51/91/921755191.db2.gz ZYJVGMIPDANIRG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001376990893 921755205 /nfs/dbraw/zinc/75/52/05/921755205.db2.gz ZYJVGMIPDANIRG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001376986818 921756227 /nfs/dbraw/zinc/75/62/27/921756227.db2.gz HLCJNXRXXPIMQE-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001377010845 921757263 /nfs/dbraw/zinc/75/72/63/921757263.db2.gz XEJVYYVJADQUOF-JTQLQIEISA-N 1 1 324.385 -1.188 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001377084782 921763319 /nfs/dbraw/zinc/76/33/19/921763319.db2.gz NJDZQSPOIUSISL-SNVBAGLBSA-N 1 1 305.400 -1.097 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncn(C)c1=O ZINC001377117994 921765041 /nfs/dbraw/zinc/76/50/41/921765041.db2.gz SHMHLIVMKIQLPE-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cccn1 ZINC001377116995 921765791 /nfs/dbraw/zinc/76/57/91/921765791.db2.gz JYEDQFFQWHBRTC-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cccn1 ZINC001377116995 921765807 /nfs/dbraw/zinc/76/58/07/921765807.db2.gz JYEDQFFQWHBRTC-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377118927 921768290 /nfs/dbraw/zinc/76/82/90/921768290.db2.gz WRSVCHXYATUFFA-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001377118927 921768298 /nfs/dbraw/zinc/76/82/98/921768298.db2.gz WRSVCHXYATUFFA-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377129696 921768392 /nfs/dbraw/zinc/76/83/92/921768392.db2.gz NSJOYLTWFJRCMT-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377129696 921768400 /nfs/dbraw/zinc/76/84/00/921768400.db2.gz NSJOYLTWFJRCMT-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cncn1)CCN1CCNC1=O ZINC001377119636 921768537 /nfs/dbraw/zinc/76/85/37/921768537.db2.gz FYADMMXSDDKZMR-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC001377125502 921768664 /nfs/dbraw/zinc/76/86/64/921768664.db2.gz DBXTYSXYBVABTH-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC001377125502 921768672 /nfs/dbraw/zinc/76/86/72/921768672.db2.gz DBXTYSXYBVABTH-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377132070 921769682 /nfs/dbraw/zinc/76/96/82/921769682.db2.gz AMYFTRSFTCUXDC-JGVFFNPUSA-N 1 1 300.315 -1.962 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377132070 921769689 /nfs/dbraw/zinc/76/96/89/921769689.db2.gz AMYFTRSFTCUXDC-JGVFFNPUSA-N 1 1 300.315 -1.962 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)cn1 ZINC001377118749 921769792 /nfs/dbraw/zinc/76/97/92/921769792.db2.gz VSEYFHFTMSKSRC-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)cn1 ZINC001377118749 921769801 /nfs/dbraw/zinc/76/98/01/921769801.db2.gz VSEYFHFTMSKSRC-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377132075 921770877 /nfs/dbraw/zinc/77/08/77/921770877.db2.gz AMYFTRSFTCUXDC-SFYZADRCSA-N 1 1 300.315 -1.962 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377132075 921770886 /nfs/dbraw/zinc/77/08/86/921770886.db2.gz AMYFTRSFTCUXDC-SFYZADRCSA-N 1 1 300.315 -1.962 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1COC(=O)C1)CCNS(C)(=O)=O ZINC001377144982 921772132 /nfs/dbraw/zinc/77/21/32/921772132.db2.gz SQOFPUJVPIFVDH-SNVBAGLBSA-N 1 1 321.399 -1.463 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1COC(=O)C1)CCNS(C)(=O)=O ZINC001377144982 921772142 /nfs/dbraw/zinc/77/21/42/921772142.db2.gz SQOFPUJVPIFVDH-SNVBAGLBSA-N 1 1 321.399 -1.463 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001377153288 921772624 /nfs/dbraw/zinc/77/26/24/921772624.db2.gz KRELEEHAOKXQNP-UHFFFAOYSA-N 1 1 312.378 -1.571 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377149386 921773820 /nfs/dbraw/zinc/77/38/20/921773820.db2.gz FYCKHVOUZPYYFL-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377149386 921773825 /nfs/dbraw/zinc/77/38/25/921773825.db2.gz FYCKHVOUZPYYFL-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001377138958 921774194 /nfs/dbraw/zinc/77/41/94/921774194.db2.gz RFXPPHROESTJGL-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001377138958 921774207 /nfs/dbraw/zinc/77/42/07/921774207.db2.gz RFXPPHROESTJGL-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001377170730 921776017 /nfs/dbraw/zinc/77/60/17/921776017.db2.gz CPBIWBURTLOTAF-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001377170730 921776031 /nfs/dbraw/zinc/77/60/31/921776031.db2.gz CPBIWBURTLOTAF-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001377162620 921776571 /nfs/dbraw/zinc/77/65/71/921776571.db2.gz QAYGUJBLFUQBOC-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001377162620 921776585 /nfs/dbraw/zinc/77/65/85/921776585.db2.gz QAYGUJBLFUQBOC-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001377162612 921777001 /nfs/dbraw/zinc/77/70/01/921777001.db2.gz QAYGUJBLFUQBOC-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001377162612 921777022 /nfs/dbraw/zinc/77/70/22/921777022.db2.gz QAYGUJBLFUQBOC-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001377162033 921777088 /nfs/dbraw/zinc/77/70/88/921777088.db2.gz GRLAPIFKYKKHKA-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001377162033 921777100 /nfs/dbraw/zinc/77/71/00/921777100.db2.gz GRLAPIFKYKKHKA-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377164700 921777752 /nfs/dbraw/zinc/77/77/52/921777752.db2.gz SDJZVEZAPCHYKS-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377164700 921777760 /nfs/dbraw/zinc/77/77/60/921777760.db2.gz SDJZVEZAPCHYKS-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO COc1nccc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001377185133 921779546 /nfs/dbraw/zinc/77/95/46/921779546.db2.gz BGTNBRMMWCNBPR-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO COc1nccc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001377185133 921779557 /nfs/dbraw/zinc/77/95/57/921779557.db2.gz BGTNBRMMWCNBPR-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1nccn1C ZINC001377197613 921780047 /nfs/dbraw/zinc/78/00/47/921780047.db2.gz NZPUYDHKTVELBH-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1nccn1C ZINC001377197613 921780058 /nfs/dbraw/zinc/78/00/58/921780058.db2.gz NZPUYDHKTVELBH-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC ZINC001377181332 921781317 /nfs/dbraw/zinc/78/13/17/921781317.db2.gz NIOWJHRAMUYTLH-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[C@H]([NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1)C(N)=O ZINC001377202089 921782814 /nfs/dbraw/zinc/78/28/14/921782814.db2.gz PRXCKRAXHVXYMX-VIFPVBQESA-N 1 1 310.358 -1.063 20 0 DAADMO CC[C@H]([NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1)C(N)=O ZINC001377202089 921782826 /nfs/dbraw/zinc/78/28/26/921782826.db2.gz PRXCKRAXHVXYMX-VIFPVBQESA-N 1 1 310.358 -1.063 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377213361 921783072 /nfs/dbraw/zinc/78/30/72/921783072.db2.gz TYBNXEKBXWZXMK-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377213361 921783083 /nfs/dbraw/zinc/78/30/83/921783083.db2.gz TYBNXEKBXWZXMK-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)CC1CCOCC1 ZINC001377208076 921783145 /nfs/dbraw/zinc/78/31/45/921783145.db2.gz ZUQXLCUAZGMGDX-UHFFFAOYSA-N 1 1 322.431 -1.485 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377211051 921785362 /nfs/dbraw/zinc/78/53/62/921785362.db2.gz KEKFJCWBUSVMRC-JTQLQIEISA-N 1 1 314.390 -1.577 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001377221275 921788856 /nfs/dbraw/zinc/78/88/56/921788856.db2.gz GLQUCIDJIAQWLH-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001377221275 921788876 /nfs/dbraw/zinc/78/88/76/921788876.db2.gz GLQUCIDJIAQWLH-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377233198 921790227 /nfs/dbraw/zinc/79/02/27/921790227.db2.gz SDVCCBJYWHVDBH-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377233198 921790243 /nfs/dbraw/zinc/79/02/43/921790243.db2.gz SDVCCBJYWHVDBH-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377233195 921790976 /nfs/dbraw/zinc/79/09/76/921790976.db2.gz SDVCCBJYWHVDBH-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377233195 921790987 /nfs/dbraw/zinc/79/09/87/921790987.db2.gz SDVCCBJYWHVDBH-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001377233076 921792042 /nfs/dbraw/zinc/79/20/42/921792042.db2.gz UQQHMQSPIQBLMA-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001377262651 921793767 /nfs/dbraw/zinc/79/37/67/921793767.db2.gz XLFMJJHMKWJVDB-JTQLQIEISA-N 1 1 319.369 -1.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001377262651 921793778 /nfs/dbraw/zinc/79/37/78/921793778.db2.gz XLFMJJHMKWJVDB-JTQLQIEISA-N 1 1 319.369 -1.021 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001377268742 921795877 /nfs/dbraw/zinc/79/58/77/921795877.db2.gz YLUIDWLUUQZAQT-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001377268742 921795884 /nfs/dbraw/zinc/79/58/84/921795884.db2.gz YLUIDWLUUQZAQT-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO COC[C@@H](C)[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001377261884 921796339 /nfs/dbraw/zinc/79/63/39/921796339.db2.gz RGDCYBKMSJMDQZ-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001377261884 921796349 /nfs/dbraw/zinc/79/63/49/921796349.db2.gz RGDCYBKMSJMDQZ-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001377274981 921798766 /nfs/dbraw/zinc/79/87/66/921798766.db2.gz PNIXGAGHDNGBQP-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)cn1 ZINC001377274981 921798779 /nfs/dbraw/zinc/79/87/79/921798779.db2.gz PNIXGAGHDNGBQP-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001377276869 921799594 /nfs/dbraw/zinc/79/95/94/921799594.db2.gz LMGRXYMRLITADG-NSHDSACASA-N 1 1 310.354 -1.151 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)OC)CC(=O)NC(=O)NC ZINC001377292694 921801506 /nfs/dbraw/zinc/80/15/06/921801506.db2.gz RLGDCWYSEGADLM-UHFFFAOYSA-N 1 1 317.346 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)OC)CC(=O)NC(=O)NC ZINC001377292694 921801516 /nfs/dbraw/zinc/80/15/16/921801516.db2.gz RLGDCWYSEGADLM-UHFFFAOYSA-N 1 1 317.346 -1.764 20 0 DAADMO CNC(=O)c1ccc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC001377300746 921801959 /nfs/dbraw/zinc/80/19/59/921801959.db2.gz NYBNCMIPUXXBTK-LBPRGKRZSA-N 1 1 319.365 -1.009 20 0 DAADMO CNC(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)cn1 ZINC001377300746 921801970 /nfs/dbraw/zinc/80/19/70/921801970.db2.gz NYBNCMIPUXXBTK-LBPRGKRZSA-N 1 1 319.365 -1.009 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001377333118 921803100 /nfs/dbraw/zinc/80/31/00/921803100.db2.gz MRESRWZZZLRFNL-CYBMUJFWSA-N 1 1 323.397 -1.141 20 0 DAADMO Cn1cc(C(=O)N2CCC(O)(C[NH2+]Cc3cnon3)CC2)nn1 ZINC001377347491 921806886 /nfs/dbraw/zinc/80/68/86/921806886.db2.gz UCLLSYBMZFMVAI-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001377369087 921808070 /nfs/dbraw/zinc/80/80/70/921808070.db2.gz UTFXZFZGOBXVOK-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001377372614 921808217 /nfs/dbraw/zinc/80/82/17/921808217.db2.gz HYIIEGAPAXYXDC-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001377372614 921808233 /nfs/dbraw/zinc/80/82/33/921808233.db2.gz HYIIEGAPAXYXDC-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)c3cn[nH]n3)CC2)[nH]1 ZINC001377355451 921808665 /nfs/dbraw/zinc/80/86/65/921808665.db2.gz OQXPPAAXIWAEDP-UHFFFAOYSA-N 1 1 320.357 -1.012 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000971489411 916087382 /nfs/dbraw/zinc/08/73/82/916087382.db2.gz KXJBPDOUQWDQIL-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCOCC2=O)CC1 ZINC001003033869 916094821 /nfs/dbraw/zinc/09/48/21/916094821.db2.gz USFFVIFMRCAQTN-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)c1nnnn1C ZINC001022035798 916095676 /nfs/dbraw/zinc/09/56/76/916095676.db2.gz BAHJULWICBDIKT-LURQLKTLSA-N 1 1 309.330 -1.384 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001022034453 916095778 /nfs/dbraw/zinc/09/57/78/916095778.db2.gz SYUXVSWEMYVXBY-YIZRAAEISA-N 1 1 324.341 -1.019 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1COC(=O)N1 ZINC001022034409 916096111 /nfs/dbraw/zinc/09/61/11/916096111.db2.gz SIKPDAXAKNGFSY-KHQFGBGNSA-N 1 1 321.341 -1.147 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001033087917 916098968 /nfs/dbraw/zinc/09/89/68/916098968.db2.gz QZSDWQYDMGQORC-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033087917 916098987 /nfs/dbraw/zinc/09/89/87/916098987.db2.gz QZSDWQYDMGQORC-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C(F)F ZINC001083298539 916104511 /nfs/dbraw/zinc/10/45/11/916104511.db2.gz IEJIFEDFOUYFDU-BBBLOLIVSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C(F)F ZINC001083298539 916104517 /nfs/dbraw/zinc/10/45/17/916104517.db2.gz IEJIFEDFOUYFDU-BBBLOLIVSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2nccn2c1 ZINC001083642217 916106340 /nfs/dbraw/zinc/10/63/40/916106340.db2.gz WIAVTAUZCOBFEB-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088549897 916107806 /nfs/dbraw/zinc/10/78/06/916107806.db2.gz IBQJIJYIRGRLPJ-MIMYLULJSA-N 1 1 310.354 -1.048 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088549897 916107818 /nfs/dbraw/zinc/10/78/18/916107818.db2.gz IBQJIJYIRGRLPJ-MIMYLULJSA-N 1 1 310.354 -1.048 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088549896 916108327 /nfs/dbraw/zinc/10/83/27/916108327.db2.gz IBQJIJYIRGRLPJ-DVVUODLYSA-N 1 1 310.354 -1.048 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088549896 916108332 /nfs/dbraw/zinc/10/83/32/916108332.db2.gz IBQJIJYIRGRLPJ-DVVUODLYSA-N 1 1 310.354 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001090097945 916108416 /nfs/dbraw/zinc/10/84/16/916108416.db2.gz CMRFJVJEJHZGGQ-CMPLNLGQSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001090097946 916109103 /nfs/dbraw/zinc/10/91/03/916109103.db2.gz CMRFJVJEJHZGGQ-JQWIXIFHSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(c1cc[n+]([O-])cc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105145058 916114426 /nfs/dbraw/zinc/11/44/26/916114426.db2.gz NPEWZJSQOUWSMN-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105165908 916116788 /nfs/dbraw/zinc/11/67/88/916116788.db2.gz UGMHTSARLLZIRW-LBPRGKRZSA-N 1 1 311.342 -1.841 20 0 DAADMO Cn1cc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)cn1 ZINC001105153753 916117348 /nfs/dbraw/zinc/11/73/48/916117348.db2.gz ZSFOBGJLIAUMKG-UHFFFAOYSA-N 1 1 305.342 -1.209 20 0 DAADMO O=C(c1cnns1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105174127 916117430 /nfs/dbraw/zinc/11/74/30/916117430.db2.gz KCYMUYZGDSMHPH-UHFFFAOYSA-N 1 1 309.355 -1.091 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105147510 916117951 /nfs/dbraw/zinc/11/79/51/916117951.db2.gz YAZJQBUUUSLPAT-UHFFFAOYSA-N 1 1 319.325 -1.447 20 0 DAADMO COCCOCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105197187 916122069 /nfs/dbraw/zinc/12/20/69/916122069.db2.gz JTKAJPUCDCFXHW-UHFFFAOYSA-N 1 1 313.358 -1.594 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105188346 916122392 /nfs/dbraw/zinc/12/23/92/916122392.db2.gz YNJCCVHOLBSACE-RYUDHWBXSA-N 1 1 323.353 -1.448 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197451 916125913 /nfs/dbraw/zinc/12/59/13/916125913.db2.gz SXNKDSAUNDUJPK-SECBINFHSA-N 1 1 310.358 -1.339 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105211286 916126489 /nfs/dbraw/zinc/12/64/89/916126489.db2.gz MZMXJVMQXMJQRP-SNVBAGLBSA-N 1 1 322.369 -1.731 20 0 DAADMO CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105219674 916126856 /nfs/dbraw/zinc/12/68/56/916126856.db2.gz KXHHDQOPADAEFT-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1=O ZINC001114357512 916129330 /nfs/dbraw/zinc/12/93/30/916129330.db2.gz DSWNQNYRMHAYBL-APOZVJGGSA-N 1 1 323.353 -2.294 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1=O ZINC001114357512 916129346 /nfs/dbraw/zinc/12/93/46/916129346.db2.gz DSWNQNYRMHAYBL-APOZVJGGSA-N 1 1 323.353 -2.294 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001114355032 916129387 /nfs/dbraw/zinc/12/93/87/916129387.db2.gz DTLOFRXJLQQWHK-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001114355473 916129474 /nfs/dbraw/zinc/12/94/74/916129474.db2.gz MDZLKIOVEAQTIY-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001114355473 916129484 /nfs/dbraw/zinc/12/94/84/916129484.db2.gz MDZLKIOVEAQTIY-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1=O ZINC001114358478 916129903 /nfs/dbraw/zinc/12/99/03/916129903.db2.gz WXKZEFZYEZGYNJ-NMKXLXIOSA-N 1 1 311.382 -1.480 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001114371163 916131135 /nfs/dbraw/zinc/13/11/35/916131135.db2.gz CHBKKBQPVKTUCR-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO Cn1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC001118934337 916135941 /nfs/dbraw/zinc/13/59/41/916135941.db2.gz BBIFEZLQVMLTPB-JTQLQIEISA-N 1 1 322.369 -1.185 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)nn1 ZINC001126668238 916139551 /nfs/dbraw/zinc/13/95/51/916139551.db2.gz ZLPYHLBKRXVBKP-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncccc1O ZINC001126131397 916140330 /nfs/dbraw/zinc/14/03/30/916140330.db2.gz UWIVNFYXTMMSIH-QMMMGPOBSA-N 1 1 309.326 -1.049 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1CCCCCC1=O ZINC001150372225 916144957 /nfs/dbraw/zinc/14/49/57/916144957.db2.gz GGMKHFVIUSTPRR-UHFFFAOYSA-N 1 1 309.374 -1.182 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247969 916157035 /nfs/dbraw/zinc/15/70/35/916157035.db2.gz VGIUZACTLIZGIJ-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247969 916157052 /nfs/dbraw/zinc/15/70/52/916157052.db2.gz VGIUZACTLIZGIJ-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(OC)n1 ZINC001190253381 916157209 /nfs/dbraw/zinc/15/72/09/916157209.db2.gz UDDJVUAPQYZVPR-OUAUKWLOSA-N 1 1 308.342 -1.769 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(OC)n1 ZINC001190253382 916157263 /nfs/dbraw/zinc/15/72/63/916157263.db2.gz UDDJVUAPQYZVPR-VWYCJHECSA-N 1 1 308.342 -1.769 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247547 916157328 /nfs/dbraw/zinc/15/73/28/916157328.db2.gz QMEKMOVTGHHJIW-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC001195925626 916160258 /nfs/dbraw/zinc/16/02/58/916160258.db2.gz FDEDKUHQKXJGGH-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC001195534788 916161741 /nfs/dbraw/zinc/16/17/41/916161741.db2.gz GJXIZWGBDKCGBN-NSHDSACASA-N 1 1 313.358 -1.475 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198431215 916164907 /nfs/dbraw/zinc/16/49/07/916164907.db2.gz RTILUQBJBUJUDA-IJLUTSLNSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198431215 916164919 /nfs/dbraw/zinc/16/49/19/916164919.db2.gz RTILUQBJBUJUDA-IJLUTSLNSA-N 1 1 324.385 -1.517 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCCO1 ZINC001251025299 916172003 /nfs/dbraw/zinc/17/20/03/916172003.db2.gz WDDKLSUYJFDFFF-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2ncncn2)CC1 ZINC001251024931 916172143 /nfs/dbraw/zinc/17/21/43/916172143.db2.gz SHUOWWVRDIQLGX-ZDUSSCGKSA-N 1 1 308.386 -1.313 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C ZINC001251022748 916172743 /nfs/dbraw/zinc/17/27/43/916172743.db2.gz ZAQSVBREJUUXLL-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1C ZINC001251022748 916172749 /nfs/dbraw/zinc/17/27/49/916172749.db2.gz ZAQSVBREJUUXLL-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266742496 916181047 /nfs/dbraw/zinc/18/10/47/916181047.db2.gz APYQKSMDVTURST-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@@H](C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001266760329 916184229 /nfs/dbraw/zinc/18/42/29/916184229.db2.gz CIXQOGNHVNCKCG-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001279229481 916196065 /nfs/dbraw/zinc/19/60/65/916196065.db2.gz IMSAGASOAOZJTF-VLEAKVRGSA-N 1 1 322.365 -1.364 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001309693431 916204684 /nfs/dbraw/zinc/20/46/84/916204684.db2.gz VGVBNJYNVSOHIH-VIFPVBQESA-N 1 1 316.387 -1.567 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001309693431 916204702 /nfs/dbraw/zinc/20/47/02/916204702.db2.gz VGVBNJYNVSOHIH-VIFPVBQESA-N 1 1 316.387 -1.567 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001311559517 916206100 /nfs/dbraw/zinc/20/61/00/916206100.db2.gz UMIPCWSZRWMREW-JTQLQIEISA-N 1 1 315.374 -1.116 20 0 DAADMO O=C(NCCCN1C(=O)CNC1=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001311932516 916206919 /nfs/dbraw/zinc/20/69/19/916206919.db2.gz NJKHFVWJCJHKRU-SNVBAGLBSA-N 1 1 313.358 -1.706 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)NCCOCCS(N)(=O)=O)C[C@H]2C1 ZINC001312833158 916209102 /nfs/dbraw/zinc/20/91/02/916209102.db2.gz IYPCACBHSSDIQC-PHIMTYICSA-N 1 1 320.415 -1.506 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001312834846 916211523 /nfs/dbraw/zinc/21/15/23/916211523.db2.gz ZLFAFLNNAUWOCE-JTQLQIEISA-N 1 1 324.403 -2.343 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1=O ZINC001313441826 916213980 /nfs/dbraw/zinc/21/39/80/916213980.db2.gz ZTQGXLTUBZHXJK-NEPJUHHUSA-N 1 1 320.393 -1.113 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001316606827 916218467 /nfs/dbraw/zinc/21/84/67/916218467.db2.gz QBYFIVKMIPZFCY-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)c1cnn(C)n1 ZINC001316764953 916219858 /nfs/dbraw/zinc/21/98/58/916219858.db2.gz IYCSUKKISUVCKG-SNVBAGLBSA-N 1 1 312.374 -1.291 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001316764184 916220650 /nfs/dbraw/zinc/22/06/50/916220650.db2.gz NNGXGKRYQSZYFO-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001316764184 916220669 /nfs/dbraw/zinc/22/06/69/916220669.db2.gz NNGXGKRYQSZYFO-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1CCS(C)(=O)=O ZINC001316731104 916222960 /nfs/dbraw/zinc/22/29/60/916222960.db2.gz URJSZHTVKOEDEV-VHSXEESVSA-N 1 1 305.400 -1.125 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCS(C)(=O)=O ZINC001316731104 916222986 /nfs/dbraw/zinc/22/29/86/916222986.db2.gz URJSZHTVKOEDEV-VHSXEESVSA-N 1 1 305.400 -1.125 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCOCCNC(C)=O ZINC001316737202 916223936 /nfs/dbraw/zinc/22/39/36/916223936.db2.gz VXSHJIXOBIEZMP-NWDGAFQWSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001316743114 916224124 /nfs/dbraw/zinc/22/41/24/916224124.db2.gz BMGJOJFSHCVUFP-MNOVXSKESA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001316743114 916224145 /nfs/dbraw/zinc/22/41/45/916224145.db2.gz BMGJOJFSHCVUFP-MNOVXSKESA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)CC[N@H+]1CCCO ZINC001316798391 916226765 /nfs/dbraw/zinc/22/67/65/916226765.db2.gz GUWJLGAPWUAQFC-OUAUKWLOSA-N 1 1 312.370 -1.064 20 0 DAADMO C[N@@H+](CCCNC(=O)C[C@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001316816518 916226826 /nfs/dbraw/zinc/22/68/26/916226826.db2.gz CGKPDKLWWFFRSN-SECBINFHSA-N 1 1 314.342 -1.427 20 0 DAADMO CNC(=O)NCCC(=O)NCCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001316822117 916226933 /nfs/dbraw/zinc/22/69/33/916226933.db2.gz IUIFGYZHCIHRQW-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1ccn(C)n1 ZINC001316823124 916228532 /nfs/dbraw/zinc/22/85/32/916228532.db2.gz CQYGXEIOGGOYDQ-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001316845781 916233478 /nfs/dbraw/zinc/23/34/78/916233478.db2.gz PELXANYVXHUQNS-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001316845406 916234001 /nfs/dbraw/zinc/23/40/01/916234001.db2.gz HVUWDYBZWGAKEN-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001316854800 916234322 /nfs/dbraw/zinc/23/43/22/916234322.db2.gz VMDXTWZGPXTIEQ-LLVKDONJSA-N 1 1 315.370 -1.515 20 0 DAADMO C[N@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)Nc1ccon1 ZINC001316848561 916234455 /nfs/dbraw/zinc/23/44/55/916234455.db2.gz IXLVAEXBEDUEIM-VIFPVBQESA-N 1 1 324.341 -1.267 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)Nc1ccon1 ZINC001316848561 916234465 /nfs/dbraw/zinc/23/44/65/916234465.db2.gz IXLVAEXBEDUEIM-VIFPVBQESA-N 1 1 324.341 -1.267 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCNC(=O)C1)CCn1cccn1 ZINC001316842665 916234863 /nfs/dbraw/zinc/23/48/63/916234863.db2.gz KKXKQRGHLBXLDY-UHFFFAOYSA-N 1 1 322.413 -1.247 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001316867385 916235068 /nfs/dbraw/zinc/23/50/68/916235068.db2.gz KBXDVVDAKVRBTM-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H](C)NC(N)=O)CC(=O)N(C)C ZINC001316887826 916235546 /nfs/dbraw/zinc/23/55/46/916235546.db2.gz CLTVFMOMPRQFMD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCO)CC1)[C@@H]1CCNC(=O)C1 ZINC001316956028 916237452 /nfs/dbraw/zinc/23/74/52/916237452.db2.gz OEMBYZZCLXYHIV-CYBMUJFWSA-N 1 1 312.414 -1.371 20 0 DAADMO CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001316942840 916238445 /nfs/dbraw/zinc/23/84/45/916238445.db2.gz BYVFHXJRYWGJHD-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@H](O)C[N@@H+](CCCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001316923689 916238505 /nfs/dbraw/zinc/23/85/05/916238505.db2.gz VJVOTMDUHYCRPS-NSHDSACASA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001316943682 916239812 /nfs/dbraw/zinc/23/98/12/916239812.db2.gz HYMQJLJCBSUWFC-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2ncccn2)CC1 ZINC001316960428 916242966 /nfs/dbraw/zinc/24/29/66/916242966.db2.gz OTZTYQWNDJGXQL-UHFFFAOYSA-N 1 1 320.397 -1.040 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)[C@H]1CCCO1 ZINC001316964310 916243324 /nfs/dbraw/zinc/24/33/24/916243324.db2.gz ZPYRUJCBYXNMFC-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO Cc1nccnc1CN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001316959807 916244293 /nfs/dbraw/zinc/24/42/93/916244293.db2.gz UMHJORYTKGAFGI-UHFFFAOYSA-N 1 1 320.397 -1.106 20 0 DAADMO COCCN1CC[NH+](CCCNC(=O)Cn2ncnn2)CC1 ZINC001316957958 916247315 /nfs/dbraw/zinc/24/73/15/916247315.db2.gz KCPLXVNEWWPACN-UHFFFAOYSA-N 1 1 311.390 -1.557 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316976556 916247909 /nfs/dbraw/zinc/24/79/09/916247909.db2.gz SLFSJXGXCSFMDS-ZJUUUORDSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316976556 916247929 /nfs/dbraw/zinc/24/79/29/916247929.db2.gz SLFSJXGXCSFMDS-ZJUUUORDSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316974408 916248470 /nfs/dbraw/zinc/24/84/70/916248470.db2.gz RAHXEZBVUGAFEU-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316974408 916248489 /nfs/dbraw/zinc/24/84/89/916248489.db2.gz RAHXEZBVUGAFEU-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316976544 916248527 /nfs/dbraw/zinc/24/85/27/916248527.db2.gz SLFSJXGXCSFMDS-NXEZZACHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316976544 916248547 /nfs/dbraw/zinc/24/85/47/916248547.db2.gz SLFSJXGXCSFMDS-NXEZZACHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316976554 916248581 /nfs/dbraw/zinc/24/85/81/916248581.db2.gz SLFSJXGXCSFMDS-VHSXEESVSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316976554 916248598 /nfs/dbraw/zinc/24/85/98/916248598.db2.gz SLFSJXGXCSFMDS-VHSXEESVSA-N 1 1 310.354 -1.492 20 0 DAADMO Cn1c(C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)C2)cc(=O)n(C)c1=O ZINC001316973039 916250185 /nfs/dbraw/zinc/25/01/85/916250185.db2.gz GFZQITKEJOOTMO-VIFPVBQESA-N 1 1 323.353 -2.350 20 0 DAADMO Cn1c(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)C2)cc(=O)n(C)c1=O ZINC001316973039 916250200 /nfs/dbraw/zinc/25/02/00/916250200.db2.gz GFZQITKEJOOTMO-VIFPVBQESA-N 1 1 323.353 -2.350 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316974406 916250454 /nfs/dbraw/zinc/25/04/54/916250454.db2.gz RAHXEZBVUGAFEU-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316974406 916250469 /nfs/dbraw/zinc/25/04/69/916250469.db2.gz RAHXEZBVUGAFEU-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C1)NC(N)=O ZINC001316978317 916252362 /nfs/dbraw/zinc/25/23/62/916252362.db2.gz VFMFQXJKOQBNJD-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317024539 916255207 /nfs/dbraw/zinc/25/52/07/916255207.db2.gz FMUUFZVUCMBJRV-QWRGUYRKSA-N 1 1 306.370 -1.064 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001316988670 916258002 /nfs/dbraw/zinc/25/80/02/916258002.db2.gz JERCBGKDIGGDRY-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001317059903 916258940 /nfs/dbraw/zinc/25/89/40/916258940.db2.gz LKEAPPXZJSFSTP-JTQLQIEISA-N 1 1 324.389 -1.261 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001317027032 916260894 /nfs/dbraw/zinc/26/08/94/916260894.db2.gz FFYRKRMRRDINBD-QMTHXVAHSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001317089815 916266901 /nfs/dbraw/zinc/26/69/01/916266901.db2.gz LJOANMGZCMAZDC-MGCOHNPYSA-N 1 1 309.374 -1.007 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001317135819 916268769 /nfs/dbraw/zinc/26/87/69/916268769.db2.gz RUGDMSNJXVDYTJ-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO COCCCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001317135616 916268867 /nfs/dbraw/zinc/26/88/67/916268867.db2.gz OIDJHGONRKHGMC-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCOCCO)C1)[C@@H]1COC(=O)N1 ZINC001317130995 916271506 /nfs/dbraw/zinc/27/15/06/916271506.db2.gz NDGBAJJMXVRVOC-RYUDHWBXSA-N 1 1 315.370 -1.068 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001317181674 916275111 /nfs/dbraw/zinc/27/51/11/916275111.db2.gz VHZLQEVTRDKAHE-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1ccnc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001317256309 916277136 /nfs/dbraw/zinc/27/71/36/916277136.db2.gz KZWTYPMEVGJTBY-ZJUUUORDSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001317285670 916283898 /nfs/dbraw/zinc/28/38/98/916283898.db2.gz YYKRMJHKPHZNAL-IUCAKERBSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001317371750 916292263 /nfs/dbraw/zinc/29/22/63/916292263.db2.gz VVSOJDGQELMKNE-IUCAKERBSA-N 1 1 313.358 -1.632 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1)[C@H]1CCC(=O)NC1=O ZINC001317442346 916294716 /nfs/dbraw/zinc/29/47/16/916294716.db2.gz HDMUZWPRSVAFFH-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)[C@H]1CCC(=O)NC1=O ZINC001317442346 916294732 /nfs/dbraw/zinc/29/47/32/916294732.db2.gz HDMUZWPRSVAFFH-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc[nH]c1=O)CCN1C(=O)CNC1=O ZINC001317449395 916295711 /nfs/dbraw/zinc/29/57/11/916295711.db2.gz PLMINZKCMFQMKG-UHFFFAOYSA-N 1 1 322.325 -1.604 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001317435989 916297819 /nfs/dbraw/zinc/29/78/19/916297819.db2.gz DMIVCLSGKIYCMU-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CC[C@@H](C(=O)NCCN(C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317466738 916300565 /nfs/dbraw/zinc/30/05/65/916300565.db2.gz DNDJMJMHNWYTTJ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001317466560 916301755 /nfs/dbraw/zinc/30/17/55/916301755.db2.gz AMKLORVKFLNEGW-SNVBAGLBSA-N 1 1 316.358 -2.064 20 0 DAADMO CC[C@@]1(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454022 916302338 /nfs/dbraw/zinc/30/23/38/916302338.db2.gz XCVWOBYYTWRTGQ-ZUZCIYMTSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[C@@]1(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454022 916302359 /nfs/dbraw/zinc/30/23/59/916302359.db2.gz XCVWOBYYTWRTGQ-ZUZCIYMTSA-N 1 1 324.381 -1.244 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)CC1)CCOCCO ZINC001317454573 916303089 /nfs/dbraw/zinc/30/30/89/916303089.db2.gz LZWXCSHIAYBGRE-GFCCVEGCSA-N 1 1 301.387 -1.040 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCN1C(=O)CNC1=O ZINC001317458712 916303206 /nfs/dbraw/zinc/30/32/06/916303206.db2.gz QCJNWHVKVPJODR-MRVPVSSYSA-N 1 1 312.330 -2.732 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001317450240 916304580 /nfs/dbraw/zinc/30/45/80/916304580.db2.gz RBAAGAQPQIIFMS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001317450240 916304600 /nfs/dbraw/zinc/30/46/00/916304600.db2.gz RBAAGAQPQIIFMS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)OC)[C@H]1CCC(=O)NC1=O ZINC001317477073 916305433 /nfs/dbraw/zinc/30/54/33/916305433.db2.gz KZSJQEZZRNFWBK-VIFPVBQESA-N 1 1 314.342 -1.414 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001317470969 916306420 /nfs/dbraw/zinc/30/64/20/916306420.db2.gz ZLZZQRYUJAWRRJ-SNVBAGLBSA-N 1 1 316.358 -2.064 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001317490446 916309516 /nfs/dbraw/zinc/30/95/16/916309516.db2.gz VOYANGLSFCLDNG-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)C(N)=O ZINC001317488569 916309580 /nfs/dbraw/zinc/30/95/80/916309580.db2.gz IEMKXQUEWNEUCT-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)C(N)=O ZINC001317488569 916309602 /nfs/dbraw/zinc/30/96/02/916309602.db2.gz IEMKXQUEWNEUCT-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)CCOCCO ZINC001317471087 916310608 /nfs/dbraw/zinc/31/06/08/916310608.db2.gz ABUSELLCTBIXDT-GFCCVEGCSA-N 1 1 311.386 -1.103 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)CC(N)=O ZINC001317477310 916310675 /nfs/dbraw/zinc/31/06/75/916310675.db2.gz IIMLELKGTYSSBV-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)CC(N)=O ZINC001317477310 916310695 /nfs/dbraw/zinc/31/06/95/916310695.db2.gz IIMLELKGTYSSBV-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1C)[C@H]1CCC(=O)NC1=O ZINC001317485240 916310737 /nfs/dbraw/zinc/31/07/37/916310737.db2.gz XODNTIMPFQNCRM-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317507668 916312142 /nfs/dbraw/zinc/31/21/42/916312142.db2.gz JZKSPKQQSRZQBU-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317507668 916312163 /nfs/dbraw/zinc/31/21/63/916312163.db2.gz JZKSPKQQSRZQBU-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001317519485 916314796 /nfs/dbraw/zinc/31/47/96/916314796.db2.gz CVDYAQUIDDXCKO-NSHDSACASA-N 1 1 302.375 -1.638 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001317500003 916316622 /nfs/dbraw/zinc/31/66/22/916316622.db2.gz UABXNGWFLBUNHF-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001317550609 916318219 /nfs/dbraw/zinc/31/82/19/916318219.db2.gz KHZDBTWUFMRDKK-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001317550609 916318239 /nfs/dbraw/zinc/31/82/39/916318239.db2.gz KHZDBTWUFMRDKK-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001317547001 916318294 /nfs/dbraw/zinc/31/82/94/916318294.db2.gz WMUANSAJXOBVPC-VWYCJHECSA-N 1 1 324.381 -1.259 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001317538212 916320982 /nfs/dbraw/zinc/32/09/82/916320982.db2.gz GQFLFZNTWUKBRV-WDEREUQCSA-N 1 1 324.381 -1.387 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001317550608 916322427 /nfs/dbraw/zinc/32/24/27/916322427.db2.gz KHZDBTWUFMRDKK-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](CCNC(=O)CC(N)=O)C1CC1 ZINC001317550608 916322445 /nfs/dbraw/zinc/32/24/45/916322445.db2.gz KHZDBTWUFMRDKK-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001317531247 916322509 /nfs/dbraw/zinc/32/25/09/916322509.db2.gz BCNDCTYFVIDZHL-VXGBXAGGSA-N 1 1 308.382 -1.161 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001317530162 916322684 /nfs/dbraw/zinc/32/26/84/916322684.db2.gz FDHVCINUMDZPOW-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)ccc1=O ZINC001317536872 916323407 /nfs/dbraw/zinc/32/34/07/916323407.db2.gz ZPDRUOCQNKMNTH-GFCCVEGCSA-N 1 1 324.381 -1.159 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1COCCO1 ZINC001317569794 916328139 /nfs/dbraw/zinc/32/81/39/916328139.db2.gz LJTAXMWSUFCAIO-LLVKDONJSA-N 1 1 310.358 -1.029 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1CCF)C(=O)[C@@H]1COC(=O)N1 ZINC001317583397 916328559 /nfs/dbraw/zinc/32/85/59/916328559.db2.gz MPDVSJXOOFWBQS-VIFPVBQESA-N 1 1 314.321 -1.096 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C)CC1=O ZINC001317591663 916331932 /nfs/dbraw/zinc/33/19/32/916331932.db2.gz RFSDNHPJBZPDHD-JTQLQIEISA-N 1 1 309.374 -1.374 20 0 DAADMO C[C@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)S(C)(=O)=O ZINC001317600118 916332441 /nfs/dbraw/zinc/33/24/41/916332441.db2.gz DNKAEXIOEFIRKA-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO CN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)c1cnn(C)n1 ZINC001317638870 916339030 /nfs/dbraw/zinc/33/90/30/916339030.db2.gz FBYZMLYHXAGUNJ-UHFFFAOYSA-N 1 1 320.357 -1.201 20 0 DAADMO CCn1ncc(C[NH2+]CCN(C)C(=O)CCn2cnnn2)n1 ZINC001317642826 916339927 /nfs/dbraw/zinc/33/99/27/916339927.db2.gz AAUPGJRXAYWGQF-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)COCc1nncn1C ZINC001317645796 916341138 /nfs/dbraw/zinc/34/11/38/916341138.db2.gz GAOTWOVLTOUNBT-UHFFFAOYSA-N 1 1 322.373 -1.292 20 0 DAADMO CN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)[C@@H]1CCC(=O)N1 ZINC001317651488 916343463 /nfs/dbraw/zinc/34/34/63/916343463.db2.gz STAHTWIGQNOWOW-JTQLQIEISA-N 1 1 322.369 -1.365 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001317661746 916344980 /nfs/dbraw/zinc/34/49/80/916344980.db2.gz KPAGJBSACWLLHY-MRVPVSSYSA-N 1 1 323.357 -1.226 20 0 DAADMO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ncn[nH]1 ZINC001317648688 916346407 /nfs/dbraw/zinc/34/64/07/916346407.db2.gz OAZCDAZMFCVXEF-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[NH+](CCO)CC2)c(=O)n(C)c1=O ZINC001317786717 916349278 /nfs/dbraw/zinc/34/92/78/916349278.db2.gz BAFXLSSOPNVMAQ-ONEGZZNKSA-N 1 1 322.365 -1.766 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](CCNC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001317796795 916349375 /nfs/dbraw/zinc/34/93/75/916349375.db2.gz GENORLZGCWSVNE-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317848245 916351973 /nfs/dbraw/zinc/35/19/73/916351973.db2.gz LGSSGWYFFABTQE-JTQLQIEISA-N 1 1 305.400 -1.313 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001317848302 916352959 /nfs/dbraw/zinc/35/29/59/916352959.db2.gz LTPTZKIRBISQHC-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@H+](CC(N)=O)CC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001317879334 916354244 /nfs/dbraw/zinc/35/42/44/916354244.db2.gz AQELNNWRROQRIJ-UHFFFAOYSA-N 1 1 324.381 -1.305 20 0 DAADMO NC(=O)C(=O)NCC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001317802379 916354675 /nfs/dbraw/zinc/35/46/75/916354675.db2.gz WATSCCIUCPKUQT-SECBINFHSA-N 1 1 311.342 -2.148 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317853251 916355659 /nfs/dbraw/zinc/35/56/59/916355659.db2.gz JRLRDYABGKBPNO-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO CCC(=O)NCC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318109989 916370337 /nfs/dbraw/zinc/37/03/37/916370337.db2.gz HNRXDWHPSANVHD-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001318105104 916371132 /nfs/dbraw/zinc/37/11/32/916371132.db2.gz DSZUXKWSWMNBCA-UHFFFAOYSA-N 1 1 324.381 -1.338 20 0 DAADMO O=C(Cn1ncnn1)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318123290 916373953 /nfs/dbraw/zinc/37/39/53/916373953.db2.gz VUHDVHLUNJFQIH-SECBINFHSA-N 1 1 307.314 -2.474 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)C1=O ZINC001318208848 916374895 /nfs/dbraw/zinc/37/48/95/916374895.db2.gz CBSKYDVDHZVKGF-RVMXOQNASA-N 1 1 311.382 -1.243 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001318172999 916375206 /nfs/dbraw/zinc/37/52/06/916375206.db2.gz LGVSUDMJVFQGGQ-SECBINFHSA-N 1 1 310.354 -1.682 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001318303094 916383853 /nfs/dbraw/zinc/38/38/53/916383853.db2.gz YSISTTHKVLHIEC-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001318301317 916385063 /nfs/dbraw/zinc/38/50/63/916385063.db2.gz PMIJPXLCVUYWDB-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001318326878 916386548 /nfs/dbraw/zinc/38/65/48/916386548.db2.gz WFDDIBIXRUFSBW-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001318423380 916393720 /nfs/dbraw/zinc/39/37/20/916393720.db2.gz LAHRDZJXZSEMTG-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1=O ZINC001318459557 916395065 /nfs/dbraw/zinc/39/50/65/916395065.db2.gz FZQHDRDTLOWVKJ-VIFPVBQESA-N 1 1 311.342 -2.231 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)CCN1C(=O)NC(C)(C)C1=O ZINC001318462873 916397510 /nfs/dbraw/zinc/39/75/10/916397510.db2.gz ULZIMCGIXSOPPB-UHFFFAOYSA-N 1 1 306.388 -1.202 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)CCN1C(=O)NC(C)(C)C1=O ZINC001318462873 916397531 /nfs/dbraw/zinc/39/75/31/916397531.db2.gz ULZIMCGIXSOPPB-UHFFFAOYSA-N 1 1 306.388 -1.202 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001318543503 916401186 /nfs/dbraw/zinc/40/11/86/916401186.db2.gz WCDCKOCKZPILMQ-MRVPVSSYSA-N 1 1 304.376 -1.548 20 0 DAADMO CC[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318614688 916403199 /nfs/dbraw/zinc/40/31/99/916403199.db2.gz QCWKUDQUCDICLC-ZJUUUORDSA-N 1 1 322.369 -1.148 20 0 DAADMO CC[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318614683 916404042 /nfs/dbraw/zinc/40/40/42/916404042.db2.gz QCWKUDQUCDICLC-NXEZZACHSA-N 1 1 322.369 -1.148 20 0 DAADMO C[C@H]1CN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC001319551545 916442538 /nfs/dbraw/zinc/44/25/38/916442538.db2.gz BSJAKXVBHOWYQZ-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001319581653 916442733 /nfs/dbraw/zinc/44/27/33/916442733.db2.gz NUONMIDHWHBHAH-JTQLQIEISA-N 1 1 310.354 -1.140 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001319581653 916442742 /nfs/dbraw/zinc/44/27/42/916442742.db2.gz NUONMIDHWHBHAH-JTQLQIEISA-N 1 1 310.354 -1.140 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001319578312 916442904 /nfs/dbraw/zinc/44/29/04/916442904.db2.gz ILGAASSHYSORDK-MRVPVSSYSA-N 1 1 324.341 -1.134 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)CCO1 ZINC001319551546 916444207 /nfs/dbraw/zinc/44/42/07/916444207.db2.gz BSJAKXVBHOWYQZ-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CN1CCCC1=O ZINC001319978015 916457095 /nfs/dbraw/zinc/45/70/95/916457095.db2.gz VJZOHPSFRHZTSN-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CN1CCCC1=O ZINC001319978015 916457107 /nfs/dbraw/zinc/45/71/07/916457107.db2.gz VJZOHPSFRHZTSN-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001319934445 916457651 /nfs/dbraw/zinc/45/76/51/916457651.db2.gz CHJJPRBDUMHYSQ-MNOVXSKESA-N 1 1 323.401 -1.081 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001320008366 916460895 /nfs/dbraw/zinc/46/08/95/916460895.db2.gz HLSBPZSEXLWKCU-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001320008366 916460909 /nfs/dbraw/zinc/46/09/09/916460909.db2.gz HLSBPZSEXLWKCU-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001320009113 916463074 /nfs/dbraw/zinc/46/30/74/916463074.db2.gz FGBFYZFJBDTZEA-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001320043509 916465485 /nfs/dbraw/zinc/46/54/85/916465485.db2.gz XWGYDAVCQURKHQ-ZUZCIYMTSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001320043509 916465492 /nfs/dbraw/zinc/46/54/92/916465492.db2.gz XWGYDAVCQURKHQ-ZUZCIYMTSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001320096274 916467088 /nfs/dbraw/zinc/46/70/88/916467088.db2.gz MZEFKUDWTMDJIE-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001320096274 916467105 /nfs/dbraw/zinc/46/71/05/916467105.db2.gz MZEFKUDWTMDJIE-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC2CC2)C1 ZINC001320111146 916467372 /nfs/dbraw/zinc/46/73/72/916467372.db2.gz LZSQZIIGUCCQRV-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCNC(=O)C2CC2)C1 ZINC001320111335 916467963 /nfs/dbraw/zinc/46/79/63/916467963.db2.gz OHNCTMOKSFPJHA-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001320079954 916468324 /nfs/dbraw/zinc/46/83/24/916468324.db2.gz BJUHYEPDDRXLBJ-SNVBAGLBSA-N 1 1 316.358 -2.064 20 0 DAADMO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1noc2c1COCC2 ZINC001320201824 916473901 /nfs/dbraw/zinc/47/39/01/916473901.db2.gz MJOHYHXWIXUNBE-QMMMGPOBSA-N 1 1 312.326 -1.811 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320189624 916474630 /nfs/dbraw/zinc/47/46/30/916474630.db2.gz XFTWKPQTSSDHOL-NSHDSACASA-N 1 1 306.326 -1.671 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001320217868 916480411 /nfs/dbraw/zinc/48/04/11/916480411.db2.gz SMERVGZEEGMDAV-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001320266151 916490217 /nfs/dbraw/zinc/49/02/17/916490217.db2.gz ZUBOGKZHTWGPDL-OLZOCXBDSA-N 1 1 310.402 -1.171 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)n1 ZINC001320270071 916491637 /nfs/dbraw/zinc/49/16/37/916491637.db2.gz HLTRHLTXFLZFPU-JTQLQIEISA-N 1 1 307.354 -1.383 20 0 DAADMO C[C@H](O)CCC[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001320271088 916491914 /nfs/dbraw/zinc/49/19/14/916491914.db2.gz QVHGZGVBWFXTSY-VHSXEESVSA-N 1 1 300.359 -1.033 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001320265407 916492256 /nfs/dbraw/zinc/49/22/56/916492256.db2.gz VVBWJENYMJFFCJ-VXGBXAGGSA-N 1 1 321.381 -1.170 20 0 DAADMO COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(OCC(N)=O)CC2)C1 ZINC001320263839 916492316 /nfs/dbraw/zinc/49/23/16/916492316.db2.gz AVBHVLYOILYKCM-JTQLQIEISA-N 1 1 313.354 -1.068 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)c1[nH]ncc1F ZINC001320275895 916493524 /nfs/dbraw/zinc/49/35/24/916493524.db2.gz XQOVBLHWFJOPOA-QMMMGPOBSA-N 1 1 314.321 -1.746 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001320272719 916494541 /nfs/dbraw/zinc/49/45/41/916494541.db2.gz JANXPYDCOMKRGP-MFKMUULPSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)c1[nH]ncc1F ZINC001320275890 916495613 /nfs/dbraw/zinc/49/56/13/916495613.db2.gz XQOVBLHWFJOPOA-MRVPVSSYSA-N 1 1 314.321 -1.746 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn3cc[nH]c23)[nH]1 ZINC001320297752 916502679 /nfs/dbraw/zinc/50/26/79/916502679.db2.gz BOYOQUYUBNZTSK-VIFPVBQESA-N 1 1 318.341 -1.031 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(OC)n(C)n1 ZINC001320506386 916510382 /nfs/dbraw/zinc/51/03/82/916510382.db2.gz LDQAPWRMUWKEDI-UHFFFAOYSA-N 1 1 313.358 -1.202 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001320514528 916510893 /nfs/dbraw/zinc/51/08/93/916510893.db2.gz RIBFCFOTYZZNJO-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC001320553066 916513634 /nfs/dbraw/zinc/51/36/34/916513634.db2.gz FWLHJCWHNFDZPJ-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)C[C@H]1CCNC1=O ZINC001320757111 916526648 /nfs/dbraw/zinc/52/66/48/916526648.db2.gz YBVDSLBQALFHMC-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1CC)C(=O)[C@@H]1CNC(=O)N1 ZINC001320832167 916530001 /nfs/dbraw/zinc/53/00/01/916530001.db2.gz RAGTTWIBDWUTTB-JTQLQIEISA-N 1 1 309.374 -1.083 20 0 DAADMO Cn1nncc1C[NH2+]C/C=C/CNC(=O)CS(C)(=O)=O ZINC001320987372 916536710 /nfs/dbraw/zinc/53/67/10/916536710.db2.gz ZPHYHKKHIVLTIA-ONEGZZNKSA-N 1 1 301.372 -1.378 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC001320991531 916538116 /nfs/dbraw/zinc/53/81/16/916538116.db2.gz BAVLCRFBDLZZRN-AWEZNQCLSA-N 1 1 323.353 -1.009 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC001320991531 916538128 /nfs/dbraw/zinc/53/81/28/916538128.db2.gz BAVLCRFBDLZZRN-AWEZNQCLSA-N 1 1 323.353 -1.009 20 0 DAADMO Cn1nncc1C[NH2+]C/C=C\CNC(=O)CS(C)(=O)=O ZINC001320987368 916538346 /nfs/dbraw/zinc/53/83/46/916538346.db2.gz ZPHYHKKHIVLTIA-ARJAWSKDSA-N 1 1 301.372 -1.378 20 0 DAADMO CC(=O)N1CC(C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001321040529 916539986 /nfs/dbraw/zinc/53/99/86/916539986.db2.gz DZULSVPNDWRADK-ARJAWSKDSA-N 1 1 322.369 -1.651 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009105 916541392 /nfs/dbraw/zinc/54/13/92/916541392.db2.gz UZOBCJCURYYPKV-VXGBXAGGSA-N 1 1 318.370 -1.379 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009105 916541400 /nfs/dbraw/zinc/54/14/00/916541400.db2.gz UZOBCJCURYYPKV-VXGBXAGGSA-N 1 1 318.370 -1.379 20 0 DAADMO NC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC001321096625 916544175 /nfs/dbraw/zinc/54/41/75/916544175.db2.gz GLBVVJCMHLFRCJ-UHFFFAOYSA-N 1 1 320.353 -1.315 20 0 DAADMO NC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cn1 ZINC001321096625 916544187 /nfs/dbraw/zinc/54/41/87/916544187.db2.gz GLBVVJCMHLFRCJ-UHFFFAOYSA-N 1 1 320.353 -1.315 20 0 DAADMO O=C(NCC=CC[NH2+]C[C@H](O)CN1CCCC1=O)c1cnn[nH]1 ZINC001321137861 916548097 /nfs/dbraw/zinc/54/80/97/916548097.db2.gz VKVIUWPGXSBFDC-BVBSBALXSA-N 1 1 322.369 -1.336 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn(C)c1=O ZINC001321136423 916548615 /nfs/dbraw/zinc/54/86/15/916548615.db2.gz PGGNJWJANOFISV-OAHLLOKOSA-N 1 1 322.365 -1.185 20 0 DAADMO Cn1cnn(CC(=O)NC/C=C\C[NH2+]Cc2cnns2)c1=O ZINC001321123608 916550215 /nfs/dbraw/zinc/55/02/15/916550215.db2.gz BTOQSFKFWQDMJA-IHWYPQMZSA-N 1 1 323.382 -1.105 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@H]2CN(C)C(=O)N2)[nH]1 ZINC001321185448 916552101 /nfs/dbraw/zinc/55/21/01/916552101.db2.gz KRUHSNPVMWJOBO-HMDXOVGESA-N 1 1 307.358 -1.101 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321185394 916553672 /nfs/dbraw/zinc/55/36/72/916553672.db2.gz KEKZYJBBKWIRKE-ZBJFTSOASA-N 1 1 310.358 -1.618 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321295153 916563665 /nfs/dbraw/zinc/56/36/65/916563665.db2.gz VSDMRPDKFIALDB-AATRIKPKSA-N 1 1 324.385 -1.215 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CN1C(=O)CNC1=O ZINC001321317447 916563995 /nfs/dbraw/zinc/56/39/95/916563995.db2.gz UJYOYLQRENSHOD-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO COc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nn1C ZINC001321360235 916570425 /nfs/dbraw/zinc/57/04/25/916570425.db2.gz PFTFDCGQNSPOPF-CYBMUJFWSA-N 1 1 311.342 -1.450 20 0 DAADMO Cc1nonc1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321432471 916572397 /nfs/dbraw/zinc/57/23/97/916572397.db2.gz OWFGKGHAXDHKIL-ARJAWSKDSA-N 1 1 307.314 -1.124 20 0 DAADMO COC[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)OC ZINC001321529065 916580828 /nfs/dbraw/zinc/58/08/28/916580828.db2.gz WBKFOOMWGVETPO-GFCCVEGCSA-N 1 1 317.386 -1.398 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCNC1=O ZINC001321594996 916583572 /nfs/dbraw/zinc/58/35/72/916583572.db2.gz VBWQNHNISQJOQO-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO COC(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)OC ZINC001321577357 916584302 /nfs/dbraw/zinc/58/43/02/916584302.db2.gz HOVNFNFSUDNHHQ-WDEREUQCSA-N 1 1 308.400 -1.307 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001321680299 916589081 /nfs/dbraw/zinc/58/90/81/916589081.db2.gz CLIPCHGMLYZUPI-MRVPVSSYSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001321685266 916590099 /nfs/dbraw/zinc/59/00/99/916590099.db2.gz OZFZXTGFCGSDPQ-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001321685266 916590110 /nfs/dbraw/zinc/59/01/10/916590110.db2.gz OZFZXTGFCGSDPQ-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001321676208 916590616 /nfs/dbraw/zinc/59/06/16/916590616.db2.gz UPZKOSXWEKDXNS-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)COC)CC1 ZINC001321775052 916594807 /nfs/dbraw/zinc/59/48/07/916594807.db2.gz MLGPJFPXSBHUDI-SNVBAGLBSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001321802894 916595308 /nfs/dbraw/zinc/59/53/08/916595308.db2.gz XGVLBZGFGQWUEE-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001321802894 916595332 /nfs/dbraw/zinc/59/53/32/916595332.db2.gz XGVLBZGFGQWUEE-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO COCC(=O)NCCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC001321781611 916595498 /nfs/dbraw/zinc/59/54/98/916595498.db2.gz GNUOFWRQSQWLKD-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001321807001 916598354 /nfs/dbraw/zinc/59/83/54/916598354.db2.gz PRERNNOUEGBHMI-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001321823629 916599540 /nfs/dbraw/zinc/59/95/40/916599540.db2.gz ZZYWVSBRPIPQLI-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC001321840025 916600802 /nfs/dbraw/zinc/60/08/02/916600802.db2.gz VTNBKLOBTJLZCB-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001321891897 916605332 /nfs/dbraw/zinc/60/53/32/916605332.db2.gz BKFQSOAWAFQRKP-GHMZBOCLSA-N 1 1 315.370 -1.109 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001321891897 916605341 /nfs/dbraw/zinc/60/53/41/916605341.db2.gz BKFQSOAWAFQRKP-GHMZBOCLSA-N 1 1 315.370 -1.109 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001321889035 916605784 /nfs/dbraw/zinc/60/57/84/916605784.db2.gz NIORBECJUXIMIY-WCFLWFBJSA-N 1 1 309.366 -1.035 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C(=O)NCC(F)F ZINC001321908355 916606848 /nfs/dbraw/zinc/60/68/48/916606848.db2.gz YNFYJLISMHXDKG-BQBZGAKWSA-N 1 1 319.316 -1.253 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001321882464 916607483 /nfs/dbraw/zinc/60/74/83/916607483.db2.gz VFFOQRSCOBWYIN-UHFFFAOYSA-N 1 1 315.370 -1.106 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001321891899 916607730 /nfs/dbraw/zinc/60/77/30/916607730.db2.gz BKFQSOAWAFQRKP-QWRGUYRKSA-N 1 1 315.370 -1.109 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001321891899 916607745 /nfs/dbraw/zinc/60/77/45/916607745.db2.gz BKFQSOAWAFQRKP-QWRGUYRKSA-N 1 1 315.370 -1.109 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001322123764 916618975 /nfs/dbraw/zinc/61/89/75/916618975.db2.gz YMAGRQCBUIEAEK-HBNTYKKESA-N 1 1 303.359 -1.084 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001322123764 916618986 /nfs/dbraw/zinc/61/89/86/916618986.db2.gz YMAGRQCBUIEAEK-HBNTYKKESA-N 1 1 303.359 -1.084 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001322125888 916619283 /nfs/dbraw/zinc/61/92/83/916619283.db2.gz ZFVYAPCNZXFHIH-IUCAKERBSA-N 1 1 314.342 -1.416 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001322130503 916619542 /nfs/dbraw/zinc/61/95/42/916619542.db2.gz QJHNMYUSZIXDJQ-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001322130503 916619554 /nfs/dbraw/zinc/61/95/54/916619554.db2.gz QJHNMYUSZIXDJQ-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001322123762 916620127 /nfs/dbraw/zinc/62/01/27/916620127.db2.gz YMAGRQCBUIEAEK-GMTAPVOTSA-N 1 1 303.359 -1.084 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001322123762 916620135 /nfs/dbraw/zinc/62/01/35/916620135.db2.gz YMAGRQCBUIEAEK-GMTAPVOTSA-N 1 1 303.359 -1.084 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](n2cncn2)C1 ZINC001322240139 916625654 /nfs/dbraw/zinc/62/56/54/916625654.db2.gz AUVAOERPINDQCO-GFCCVEGCSA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@@H](C[N@@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)C(N)=O ZINC001322238373 916625802 /nfs/dbraw/zinc/62/58/02/916625802.db2.gz UJKBPGVDUCVEAU-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001322218007 916626492 /nfs/dbraw/zinc/62/64/92/916626492.db2.gz IZDSXLPJRPQJJK-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001322218007 916626507 /nfs/dbraw/zinc/62/65/07/916626507.db2.gz IZDSXLPJRPQJJK-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001322280189 916629231 /nfs/dbraw/zinc/62/92/31/916629231.db2.gz DSWLKCAPHZJVIK-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001322280190 916630143 /nfs/dbraw/zinc/63/01/43/916630143.db2.gz DSWLKCAPHZJVIK-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC001322440502 916635543 /nfs/dbraw/zinc/63/55/43/916635543.db2.gz LWPLRFWPLZIIHB-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC(F)C2)CC1 ZINC001322604487 916650375 /nfs/dbraw/zinc/65/03/75/916650375.db2.gz DGSPERHRYGPHOJ-UHFFFAOYSA-N 1 1 314.361 -1.165 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC001322650605 916654157 /nfs/dbraw/zinc/65/41/57/916654157.db2.gz SZXMRDBMEBJNDU-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001322687865 916657292 /nfs/dbraw/zinc/65/72/92/916657292.db2.gz RZUKSLSFSKZLBB-JTQLQIEISA-N 1 1 322.431 -1.502 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001322709519 916659694 /nfs/dbraw/zinc/65/96/94/916659694.db2.gz BOTHBKNTBAFKNP-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@]1(C)CCOC1 ZINC001322749002 916661448 /nfs/dbraw/zinc/66/14/48/916661448.db2.gz FJCKRTFDMDNHEW-DOMZBBRYSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](C(=O)NCCCNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001322770573 916666196 /nfs/dbraw/zinc/66/61/96/916666196.db2.gz DXHSVEDQCDSNCY-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO CCOC[C@@H](O)C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC001322806845 916668698 /nfs/dbraw/zinc/66/86/98/916668698.db2.gz OOJQOVBLXRANHB-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[nH]n1 ZINC001322907683 916675445 /nfs/dbraw/zinc/67/54/45/916675445.db2.gz MJXTXVRRONPGGT-GFCCVEGCSA-N 1 1 308.386 -1.304 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001322907683 916675450 /nfs/dbraw/zinc/67/54/50/916675450.db2.gz MJXTXVRRONPGGT-GFCCVEGCSA-N 1 1 308.386 -1.304 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001322907683 916675456 /nfs/dbraw/zinc/67/54/56/916675456.db2.gz MJXTXVRRONPGGT-GFCCVEGCSA-N 1 1 308.386 -1.304 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322880260 916675875 /nfs/dbraw/zinc/67/58/75/916675875.db2.gz PMAJWCQMECOVNL-WIUDPPPLSA-N 1 1 318.443 -1.767 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC001322940033 916678466 /nfs/dbraw/zinc/67/84/66/916678466.db2.gz IRCMJTFCGJIXJI-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCc1nnn(C)n1 ZINC001322938718 916679116 /nfs/dbraw/zinc/67/91/16/916679116.db2.gz ATKLYEGAZGZNCK-UHFFFAOYSA-N 1 1 320.357 -1.072 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCNC1=O ZINC001322962275 916681707 /nfs/dbraw/zinc/68/17/07/916681707.db2.gz NLDFNLHRUDUWEU-GHMZBOCLSA-N 1 1 311.386 -2.305 20 0 DAADMO C[C@H](CO)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322961239 916681937 /nfs/dbraw/zinc/68/19/37/916681937.db2.gz DSFWCKIZJXSJJH-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001322942258 916682012 /nfs/dbraw/zinc/68/20/12/916682012.db2.gz UDVJFXJEKJQWSA-WPRPVWTQSA-N 1 1 307.358 -1.575 20 0 DAADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@@H]1C ZINC001322942781 916682444 /nfs/dbraw/zinc/68/24/44/916682444.db2.gz XFBPWJZFJNFZCF-VHSXEESVSA-N 1 1 309.374 -1.233 20 0 DAADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@@H]1C ZINC001322942781 916682452 /nfs/dbraw/zinc/68/24/52/916682452.db2.gz XFBPWJZFJNFZCF-VHSXEESVSA-N 1 1 309.374 -1.233 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001322955642 916682716 /nfs/dbraw/zinc/68/27/16/916682716.db2.gz NZEIZRQKDDYZMC-ZJUUUORDSA-N 1 1 323.357 -2.194 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC001323009377 916684808 /nfs/dbraw/zinc/68/48/08/916684808.db2.gz NTKALGLTZYINLY-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323004565 916685182 /nfs/dbraw/zinc/68/51/82/916685182.db2.gz ISZKBSQRCLVUQW-UWVGGRQHSA-N 1 1 309.374 -1.375 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001323180171 916694842 /nfs/dbraw/zinc/69/48/42/916694842.db2.gz YNQIZKZIKKUOSI-ZYHUDNBSSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001323180171 916694856 /nfs/dbraw/zinc/69/48/56/916694856.db2.gz YNQIZKZIKKUOSI-ZYHUDNBSSA-N 1 1 324.381 -1.150 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CCOCC1 ZINC001323193290 916697981 /nfs/dbraw/zinc/69/79/81/916697981.db2.gz HOFBUAUZAQLKQP-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001323229913 916701485 /nfs/dbraw/zinc/70/14/85/916701485.db2.gz FYBNBXJQRFBYQM-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001323229913 916701497 /nfs/dbraw/zinc/70/14/97/916701497.db2.gz FYBNBXJQRFBYQM-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001323245577 916703556 /nfs/dbraw/zinc/70/35/56/916703556.db2.gz GOCXCVJSRYHAOY-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001323243983 916704196 /nfs/dbraw/zinc/70/41/96/916704196.db2.gz AHWLGOPKWDBDNE-BXUZGUMPSA-N 1 1 317.361 -1.244 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@@H+]2CCOCCO)c1=O ZINC001323258881 916705739 /nfs/dbraw/zinc/70/57/39/916705739.db2.gz BPFSOHPEDDDHSG-LLVKDONJSA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]2CCOCCO)c1=O ZINC001323258881 916705754 /nfs/dbraw/zinc/70/57/54/916705754.db2.gz BPFSOHPEDDDHSG-LLVKDONJSA-N 1 1 313.358 -2.219 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001323244016 916706109 /nfs/dbraw/zinc/70/61/09/916706109.db2.gz BBVDZQOTMRKTSG-LLVKDONJSA-N 1 1 322.369 -1.543 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC001323355402 916718217 /nfs/dbraw/zinc/71/82/17/916718217.db2.gz OALLCKRJRWNSRC-DGCLKSJQSA-N 1 1 322.413 -1.041 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCOC1 ZINC001323387237 916718805 /nfs/dbraw/zinc/71/88/05/916718805.db2.gz HQAZNBCWZFFBIL-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001323423800 916721028 /nfs/dbraw/zinc/72/10/28/916721028.db2.gz AVQLVZPVQSRXIW-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001323423800 916721035 /nfs/dbraw/zinc/72/10/35/916721035.db2.gz AVQLVZPVQSRXIW-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC001323423784 916722409 /nfs/dbraw/zinc/72/24/09/916722409.db2.gz ARGZAMRSSSVODR-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C1CC1 ZINC001323500626 916726997 /nfs/dbraw/zinc/72/69/97/916726997.db2.gz JJGSBOLPRACTRH-UHFFFAOYSA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001323487133 916727127 /nfs/dbraw/zinc/72/71/27/916727127.db2.gz RQYUEUPQTMKFMZ-FIKIJFGZSA-N 1 1 319.427 -1.292 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@](F)(CO)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001323570889 916733201 /nfs/dbraw/zinc/73/32/01/916733201.db2.gz VHUAJFLVYWTNPV-COPLHBTASA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@](F)(CO)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323570889 916733212 /nfs/dbraw/zinc/73/32/12/916733212.db2.gz VHUAJFLVYWTNPV-COPLHBTASA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ncnn1C ZINC001323564875 916734121 /nfs/dbraw/zinc/73/41/21/916734121.db2.gz AIJVIMXCERBIGK-DCAQKATOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ncnn1C ZINC001323564875 916734131 /nfs/dbraw/zinc/73/41/31/916734131.db2.gz AIJVIMXCERBIGK-DCAQKATOSA-N 1 1 324.385 -1.172 20 0 DAADMO O=C(CN1CCCC1)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001323613464 916735844 /nfs/dbraw/zinc/73/58/44/916735844.db2.gz IKRAVYDBWBOOOX-UHFFFAOYSA-N 1 1 323.397 -1.128 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001323692954 916742611 /nfs/dbraw/zinc/74/26/11/916742611.db2.gz CVHKSSLNQDLTPQ-UHFFFAOYSA-N 1 1 317.371 -2.027 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001323864851 916753529 /nfs/dbraw/zinc/75/35/29/916753529.db2.gz ZVRBURJHRVNYDQ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001323864851 916753541 /nfs/dbraw/zinc/75/35/41/916753541.db2.gz ZVRBURJHRVNYDQ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859688 916754056 /nfs/dbraw/zinc/75/40/56/916754056.db2.gz KVSNWOVOJMLREX-ISVAXAHUSA-N 1 1 311.342 -2.021 20 0 DAADMO COC(=O)N1CC(NC(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC001324076578 916765391 /nfs/dbraw/zinc/76/53/91/916765391.db2.gz BKCBOPKMDDULNS-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN1C(=O)CNC1=O ZINC001324207738 916768581 /nfs/dbraw/zinc/76/85/81/916768581.db2.gz KPNGNZNWUKWDTM-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CCCN(C)C(=O)CN1C(=O)CNC1=O)CC[NH+](C)C ZINC001324207738 916768591 /nfs/dbraw/zinc/76/85/91/916768591.db2.gz KPNGNZNWUKWDTM-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001324146654 916769329 /nfs/dbraw/zinc/76/93/29/916769329.db2.gz PMZOCJVBGOGFLO-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(C)(NC(=O)C(N)=O)CC1 ZINC001324329505 916773618 /nfs/dbraw/zinc/77/36/18/916773618.db2.gz RSRDHLVRJNQNQJ-UHFFFAOYSA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001324462474 916785852 /nfs/dbraw/zinc/78/58/52/916785852.db2.gz YITZEEQYDVDYEG-CKYFFXLPSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CCOCCO)C1 ZINC001324670362 916793688 /nfs/dbraw/zinc/79/36/88/916793688.db2.gz XMGJAEZTYMIBRI-CYBMUJFWSA-N 1 1 302.375 -1.366 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCC1(F)F ZINC001325042406 916806849 /nfs/dbraw/zinc/80/68/49/916806849.db2.gz LQWUVHPBBVZMDY-JTQLQIEISA-N 1 1 323.340 -1.056 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001325056429 916807031 /nfs/dbraw/zinc/80/70/31/916807031.db2.gz ZPGGNIKZZUFAAB-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)nn1 ZINC001325081126 916810656 /nfs/dbraw/zinc/81/06/56/916810656.db2.gz GFEGWYKTVIWGCC-CYBMUJFWSA-N 1 1 313.358 -2.009 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001325102516 916810884 /nfs/dbraw/zinc/81/08/84/916810884.db2.gz POZFFPFGNKDVIO-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)nn1 ZINC001325081128 916811151 /nfs/dbraw/zinc/81/11/51/916811151.db2.gz GFEGWYKTVIWGCC-ZDUSSCGKSA-N 1 1 313.358 -2.009 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncc[nH]1 ZINC001325082485 916813048 /nfs/dbraw/zinc/81/30/48/916813048.db2.gz NQJKKZRXKBDLGQ-XPTSAGLGSA-N 1 1 321.337 -1.619 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC=CC2)C1 ZINC001325086089 916813553 /nfs/dbraw/zinc/81/35/53/916813553.db2.gz OIXVSBREIMRKGR-OAHLLOKOSA-N 1 1 324.381 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC=CC2)C1 ZINC001325086089 916813571 /nfs/dbraw/zinc/81/35/71/916813571.db2.gz OIXVSBREIMRKGR-OAHLLOKOSA-N 1 1 324.381 -1.039 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001325087118 916814773 /nfs/dbraw/zinc/81/47/73/916814773.db2.gz SLJQGPMHTOFDEA-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001325087116 916815260 /nfs/dbraw/zinc/81/52/60/916815260.db2.gz SLJQGPMHTOFDEA-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001325113996 916816630 /nfs/dbraw/zinc/81/66/30/916816630.db2.gz JHTGQWCYEJQJDR-SWLSCSKDSA-N 1 1 321.381 -1.391 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001325125708 916816745 /nfs/dbraw/zinc/81/67/45/916816745.db2.gz HRFRSQRFXNHVPP-IUODEOHRSA-N 1 1 313.398 -1.034 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125299 916817582 /nfs/dbraw/zinc/81/75/82/916817582.db2.gz CLIWPRJHUULNNR-RISCZKNCSA-N 1 1 313.398 -1.034 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001325113994 916817962 /nfs/dbraw/zinc/81/79/62/916817962.db2.gz JHTGQWCYEJQJDR-DOMZBBRYSA-N 1 1 321.381 -1.391 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001325113995 916818080 /nfs/dbraw/zinc/81/80/80/916818080.db2.gz JHTGQWCYEJQJDR-IUODEOHRSA-N 1 1 321.381 -1.391 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)[C@@H]1CNC(=O)N1 ZINC001325122758 916818565 /nfs/dbraw/zinc/81/85/65/916818565.db2.gz IPQOBNHKWHQTIY-GXFFZTMASA-N 1 1 316.358 -2.770 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125300 916819210 /nfs/dbraw/zinc/81/92/10/916819210.db2.gz CLIWPRJHUULNNR-SMDDNHRTSA-N 1 1 313.398 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001325142603 916822634 /nfs/dbraw/zinc/82/26/34/916822634.db2.gz VTIUAQCTAKROJK-AWEZNQCLSA-N 1 1 313.354 -1.761 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001325142604 916822946 /nfs/dbraw/zinc/82/29/46/916822946.db2.gz VTIUAQCTAKROJK-CQSZACIVSA-N 1 1 313.354 -1.761 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC001325159026 916824919 /nfs/dbraw/zinc/82/49/19/916824919.db2.gz KAXDQSDQMGWAKQ-NSHDSACASA-N 1 1 316.402 -1.336 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)n1 ZINC001325160672 916826106 /nfs/dbraw/zinc/82/61/06/916826106.db2.gz KAKZVVCEKSKGJU-AWEZNQCLSA-N 1 1 312.370 -1.404 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)n1 ZINC001325160673 916827471 /nfs/dbraw/zinc/82/74/71/916827471.db2.gz KAKZVVCEKSKGJU-CQSZACIVSA-N 1 1 312.370 -1.404 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001325301989 916839489 /nfs/dbraw/zinc/83/94/89/916839489.db2.gz ZJYHCPMSSFQEQH-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001325301989 916839504 /nfs/dbraw/zinc/83/95/04/916839504.db2.gz ZJYHCPMSSFQEQH-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](Cn1cccn1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001325302010 916840976 /nfs/dbraw/zinc/84/09/76/916840976.db2.gz ZZISPUMOYIUOIU-QWHCGFSZSA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001325301990 916841802 /nfs/dbraw/zinc/84/18/02/916841802.db2.gz ZJYHCPMSSFQEQH-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001325301990 916841808 /nfs/dbraw/zinc/84/18/08/916841808.db2.gz ZJYHCPMSSFQEQH-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCn1ccnc1 ZINC001325388527 916843780 /nfs/dbraw/zinc/84/37/80/916843780.db2.gz VJFMCAKOTNTCKT-GFCCVEGCSA-N 1 1 308.386 -1.639 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@H]1C[N@H+](C)CCO1 ZINC001325516520 916849770 /nfs/dbraw/zinc/84/97/70/916849770.db2.gz OUEYQGSBLMGVFR-WDEREUQCSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001325516520 916849780 /nfs/dbraw/zinc/84/97/80/916849780.db2.gz OUEYQGSBLMGVFR-WDEREUQCSA-N 1 1 322.369 -1.544 20 0 DAADMO CN(C)c1ncncc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001325495656 916850175 /nfs/dbraw/zinc/85/01/75/916850175.db2.gz YMMKIQIJZNKKLH-AWEZNQCLSA-N 1 1 322.369 -1.336 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001325652586 916855121 /nfs/dbraw/zinc/85/51/21/916855121.db2.gz POWLCSOAGLBYNR-JQWIXIFHSA-N 1 1 324.381 -1.700 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cnccn2)C1 ZINC001325738174 916859605 /nfs/dbraw/zinc/85/96/05/916859605.db2.gz REBSJHGEBBALIG-ZDUSSCGKSA-N 1 1 321.381 -1.028 20 0 DAADMO C[C@@H](NC1CC[NH+](CCNC(=O)C(N)=O)CC1)c1nnnn1C ZINC001325805498 916862566 /nfs/dbraw/zinc/86/25/66/916862566.db2.gz IBEIDTSTOOXWSR-SECBINFHSA-N 1 1 324.389 -2.073 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001325818394 916866105 /nfs/dbraw/zinc/86/61/05/916866105.db2.gz NTKCZPWFKQBZMV-OAHLLOKOSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@@H+](CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001325818394 916866124 /nfs/dbraw/zinc/86/61/24/916866124.db2.gz NTKCZPWFKQBZMV-OAHLLOKOSA-N 1 1 324.381 -1.109 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001325841530 916866573 /nfs/dbraw/zinc/86/65/73/916866573.db2.gz JDRJPVOTMZZTEB-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001325841530 916866588 /nfs/dbraw/zinc/86/65/88/916866588.db2.gz JDRJPVOTMZZTEB-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCCNC1=O ZINC001325849281 916868794 /nfs/dbraw/zinc/86/87/94/916868794.db2.gz CRBHRWWGAIFXDI-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO CCOC(=O)Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCC2)n1 ZINC001325947829 916874624 /nfs/dbraw/zinc/87/46/24/916874624.db2.gz HSROCBBAJPHXNI-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2COCCO2)[nH]1 ZINC001325981110 916876449 /nfs/dbraw/zinc/87/64/49/916876449.db2.gz UYIFOUXJKYNFHR-NSHDSACASA-N 1 1 313.358 -1.561 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)CN1CCCC1=O ZINC001325970038 916876681 /nfs/dbraw/zinc/87/66/81/916876681.db2.gz ZWLPOHYOXIIHDM-UHFFFAOYSA-N 1 1 323.397 -1.047 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)c2cnccn2)n1 ZINC001325970889 916877744 /nfs/dbraw/zinc/87/77/44/916877744.db2.gz FYKDSHASVIGVTI-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO O=C([C@@H]1CCOC1)N(CCO)CC[NH2+]Cc1nnnn1C1CC1 ZINC001325990474 916881367 /nfs/dbraw/zinc/88/13/67/916881367.db2.gz SPPOWLVUUZOHRP-LLVKDONJSA-N 1 1 324.385 -1.045 20 0 DAADMO CCS(=O)(=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC001326002358 916881447 /nfs/dbraw/zinc/88/14/47/916881447.db2.gz DPPMVNMFGFRJQS-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCNC1=O ZINC001326032926 916883360 /nfs/dbraw/zinc/88/33/60/916883360.db2.gz HSKGXNWMWXYENC-NSHDSACASA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CCNC1=O ZINC001326033571 916887077 /nfs/dbraw/zinc/88/70/77/916887077.db2.gz MCXMPZZLALAWNU-GFCCVEGCSA-N 1 1 323.397 -1.143 20 0 DAADMO COC(=O)Cc1csc(NC(=O)Cn2nnnc2C[NH3+])n1 ZINC001326052051 916887899 /nfs/dbraw/zinc/88/78/99/916887899.db2.gz KLLIJKNDVURYNQ-UHFFFAOYSA-N 1 1 311.327 -1.058 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@@H]2C(N)=O)nn1 ZINC001326070726 916891757 /nfs/dbraw/zinc/89/17/57/916891757.db2.gz RXDPOBWVHJERQM-RYUDHWBXSA-N 1 1 324.385 -1.763 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)CC1 ZINC001326236307 916908715 /nfs/dbraw/zinc/90/87/15/916908715.db2.gz HDOCJYMPYCANMJ-HUUCEWRRSA-N 1 1 316.446 -2.123 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cncn1)[C@@H]1C[N@H+](C)CCO1 ZINC001326449508 916920904 /nfs/dbraw/zinc/92/09/04/916920904.db2.gz NWGAKVGAMCXSMN-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cncn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001326449508 916920913 /nfs/dbraw/zinc/92/09/13/916920913.db2.gz NWGAKVGAMCXSMN-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001326476716 916922710 /nfs/dbraw/zinc/92/27/10/916922710.db2.gz SEAOTZARSDCFQE-SNVBAGLBSA-N 1 1 311.342 -2.001 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001326476716 916922722 /nfs/dbraw/zinc/92/27/22/916922722.db2.gz SEAOTZARSDCFQE-SNVBAGLBSA-N 1 1 311.342 -2.001 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001326554549 916931454 /nfs/dbraw/zinc/93/14/54/916931454.db2.gz CEFVSEQWZLQBGX-HBNTYKKESA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001326554549 916931466 /nfs/dbraw/zinc/93/14/66/916931466.db2.gz CEFVSEQWZLQBGX-HBNTYKKESA-N 1 1 301.343 -1.365 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC001326600435 916933442 /nfs/dbraw/zinc/93/34/42/916933442.db2.gz WWZLLKZVUBOQOV-RRFJBIMHSA-N 1 1 300.447 -1.097 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC001326596899 916933559 /nfs/dbraw/zinc/93/35/59/916933559.db2.gz NLJZKZKIVSIRAZ-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCOCCO ZINC001326616601 916936295 /nfs/dbraw/zinc/93/62/95/916936295.db2.gz LBGZBEAWTLPICO-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1CCOCCO ZINC001326616598 916936552 /nfs/dbraw/zinc/93/65/52/916936552.db2.gz LBGZBEAWTLPICO-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC001326682553 916947807 /nfs/dbraw/zinc/94/78/07/916947807.db2.gz YUWCBCOZEKRHSM-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(C(=O)N1CCNC(=O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326809804 916960911 /nfs/dbraw/zinc/96/09/11/916960911.db2.gz IRZNLJQOCOMEBC-WDEREUQCSA-N 1 1 310.354 -2.388 20 0 DAADMO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326845633 916962008 /nfs/dbraw/zinc/96/20/08/916962008.db2.gz JNJALCLKJBBHBQ-FRRDWIJNSA-N 1 1 310.398 -1.620 20 0 DAADMO O=C(C(=O)N1CCC[C@@H](CO)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326847563 916962207 /nfs/dbraw/zinc/96/22/07/916962207.db2.gz SHYNILCKJMXFTB-FRRDWIJNSA-N 1 1 311.382 -1.505 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC001326877972 916964204 /nfs/dbraw/zinc/96/42/04/916964204.db2.gz XTRGWCUIMDVVMO-RVMXOQNASA-N 1 1 310.398 -1.541 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001326909373 916967460 /nfs/dbraw/zinc/96/74/60/916967460.db2.gz OTWACIWRWKBZJS-ZDEQEGDKSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001326909370 916967929 /nfs/dbraw/zinc/96/79/29/916967929.db2.gz OTWACIWRWKBZJS-FVCCEPFGSA-N 1 1 311.382 -1.053 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC001326963757 916975620 /nfs/dbraw/zinc/97/56/20/916975620.db2.gz QSUYZOLFQHDAIL-UHFFFAOYSA-N 1 1 311.342 -1.166 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001327175664 916991333 /nfs/dbraw/zinc/99/13/33/916991333.db2.gz CCIDVDOFXTWVDE-JTQLQIEISA-N 1 1 323.357 -1.741 20 0 DAADMO C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327177801 916993305 /nfs/dbraw/zinc/99/33/05/916993305.db2.gz SLHUCAKLTMDLFS-MROQNXINSA-N 1 1 311.382 -1.507 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCNC1=O ZINC001327244755 916998573 /nfs/dbraw/zinc/99/85/73/916998573.db2.gz BECVNZHTOMMKNU-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001327299118 917001136 /nfs/dbraw/zinc/00/11/36/917001136.db2.gz KYVZLXWMKHSNNE-NXEZZACHSA-N 1 1 312.370 -1.307 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001327315034 917002595 /nfs/dbraw/zinc/00/25/95/917002595.db2.gz USYZBCJUAOODMU-WCQYABFASA-N 1 1 313.398 -1.117 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001327394976 917009057 /nfs/dbraw/zinc/00/90/57/917009057.db2.gz JWGWKJKUGXXHBF-UUIJZJDISA-N 1 1 309.366 -1.753 20 0 DAADMO COCCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncnn1)CO2 ZINC001327386103 917009136 /nfs/dbraw/zinc/00/91/36/917009136.db2.gz FYQAYRJIVOOWNS-LLVKDONJSA-N 1 1 310.358 -1.331 20 0 DAADMO COC[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)OC ZINC001327386763 917009845 /nfs/dbraw/zinc/00/98/45/917009845.db2.gz FUZCFVOSVVKPMP-NWDGAFQWSA-N 1 1 316.402 -1.874 20 0 DAADMO Cn1cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC001327491898 917020181 /nfs/dbraw/zinc/02/01/81/917020181.db2.gz SOCKUPJMNZDHJA-UHFFFAOYSA-N 1 1 322.369 -1.361 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)no1 ZINC001327555726 917026171 /nfs/dbraw/zinc/02/61/71/917026171.db2.gz LXAGZLXCPMWREP-GFCCVEGCSA-N 1 1 309.370 -1.039 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N(C)C)C1 ZINC001327658441 917033405 /nfs/dbraw/zinc/03/34/05/917033405.db2.gz QLWLOZHEMONTFF-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001327663282 917035186 /nfs/dbraw/zinc/03/51/86/917035186.db2.gz VAQAMIGOBCQLTE-DGCLKSJQSA-N 1 1 313.398 -1.117 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC001327653294 917035381 /nfs/dbraw/zinc/03/53/81/917035381.db2.gz FWDYWVYQUQUOMU-DTWKUNHWSA-N 1 1 310.310 -2.316 20 0 DAADMO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327708557 917037055 /nfs/dbraw/zinc/03/70/55/917037055.db2.gz YSOXHUJVEAGNCV-QNWHQSFQSA-N 1 1 310.398 -1.541 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC001327735933 917038891 /nfs/dbraw/zinc/03/88/91/917038891.db2.gz ARQPLEURHBMDJZ-GARJFASQSA-N 1 1 310.354 -2.389 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001327739342 917040890 /nfs/dbraw/zinc/04/08/90/917040890.db2.gz BZDUNFNVDUUGBD-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO Cc1noc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001327784849 917042152 /nfs/dbraw/zinc/04/21/52/917042152.db2.gz RKNBSWJALXCTKW-GHMZBOCLSA-N 1 1 323.353 -1.026 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC001327823540 917045497 /nfs/dbraw/zinc/04/54/97/917045497.db2.gz RAZYEVIHUIUMPW-LLVKDONJSA-N 1 1 309.370 -1.567 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)on1 ZINC001327936412 917054302 /nfs/dbraw/zinc/05/43/02/917054302.db2.gz KVBIRZBANIOQFL-LLVKDONJSA-N 1 1 309.370 -1.039 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCC(=O)N2CCOCC2)CC1 ZINC001327974809 917055406 /nfs/dbraw/zinc/05/54/06/917055406.db2.gz DNKSTIGLLPMDFH-AWEZNQCLSA-N 1 1 314.430 -1.567 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCNC1=O ZINC001328004107 917057843 /nfs/dbraw/zinc/05/78/43/917057843.db2.gz PDNVGVJJOCCDIU-VWYCJHECSA-N 1 1 310.354 -2.030 20 0 DAADMO CCN(C(=O)C(=O)NCCS(=O)(=O)NC)[C@H]1CC[N@@H+](C)C1 ZINC001328039187 917060218 /nfs/dbraw/zinc/06/02/18/917060218.db2.gz RHXZWPHKFCTXJC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[N@@H+](C)C1CC1 ZINC001328082180 917063140 /nfs/dbraw/zinc/06/31/40/917063140.db2.gz VSSIOXXDVXGFGO-GXSJLCMTSA-N 1 1 324.381 -1.151 20 0 DAADMO CNC(=O)C1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1 ZINC001328128637 917065121 /nfs/dbraw/zinc/06/51/21/917065121.db2.gz FMLGCBHEGAZWLI-UHFFFAOYSA-N 1 1 310.398 -1.667 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001328342318 917079624 /nfs/dbraw/zinc/07/96/24/917079624.db2.gz JPZLXVHLNQAGAX-MXWKQRLJSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](C)C1 ZINC001328359169 917082932 /nfs/dbraw/zinc/08/29/32/917082932.db2.gz VHNHTIIORBYZQV-GARJFASQSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC001328584203 917096231 /nfs/dbraw/zinc/09/62/31/917096231.db2.gz PLTBYQCXGGVIHO-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCn2cncn2)CC1 ZINC001328610185 917098726 /nfs/dbraw/zinc/09/87/26/917098726.db2.gz CCHFTQLXJJERPI-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001328766929 917108610 /nfs/dbraw/zinc/10/86/10/917108610.db2.gz WZSNCRPIPPRITD-JTQLQIEISA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001328766929 917108619 /nfs/dbraw/zinc/10/86/19/917108619.db2.gz WZSNCRPIPPRITD-JTQLQIEISA-N 1 1 310.354 -1.553 20 0 DAADMO COC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001328816511 917112372 /nfs/dbraw/zinc/11/23/72/917112372.db2.gz NTNMLQVEAWQLME-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCOCCF)C1 ZINC001328907045 917121985 /nfs/dbraw/zinc/12/19/85/917121985.db2.gz OFRWAXBZDMLWMF-NSHDSACASA-N 1 1 305.350 -1.074 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001328982092 917127258 /nfs/dbraw/zinc/12/72/58/917127258.db2.gz SHHLDVUTRUAOAP-IUCAKERBSA-N 1 1 307.372 -2.360 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001328976089 917128201 /nfs/dbraw/zinc/12/82/01/917128201.db2.gz XOKWCCJNZPNSME-LBPRGKRZSA-N 1 1 315.418 -2.299 20 0 DAADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC001329001922 917130514 /nfs/dbraw/zinc/13/05/14/917130514.db2.gz DMYSNJXSOBQBPW-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC001329001922 917130526 /nfs/dbraw/zinc/13/05/26/917130526.db2.gz DMYSNJXSOBQBPW-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC001329001920 917131065 /nfs/dbraw/zinc/13/10/65/917131065.db2.gz DMYSNJXSOBQBPW-AGIUHOORSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC001329001920 917131074 /nfs/dbraw/zinc/13/10/74/917131074.db2.gz DMYSNJXSOBQBPW-AGIUHOORSA-N 1 1 312.414 -1.110 20 0 DAADMO CN1CC(=O)N(CC(=O)NC2CC([NH+]3CCOCC3)C2)C1=O ZINC001329044876 917136673 /nfs/dbraw/zinc/13/66/73/917136673.db2.gz KWRLTRIIHSDADV-UHFFFAOYSA-N 1 1 310.354 -1.140 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n(C)n1 ZINC001329055764 917136712 /nfs/dbraw/zinc/13/67/12/917136712.db2.gz QDYGSBYAYFOLIY-WDEREUQCSA-N 1 1 307.354 -1.056 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001329063694 917137014 /nfs/dbraw/zinc/13/70/14/917137014.db2.gz XJEKOELGVJUYNB-VXGBXAGGSA-N 1 1 322.365 -1.406 20 0 DAADMO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329073085 917138134 /nfs/dbraw/zinc/13/81/34/917138134.db2.gz ITIFUWTYJJWECL-YUMQZZPRSA-N 1 1 304.376 -1.550 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001329088326 917138466 /nfs/dbraw/zinc/13/84/66/917138466.db2.gz ZZRNULUBEKLEDL-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001329073084 917138891 /nfs/dbraw/zinc/13/88/91/917138891.db2.gz ITIFUWTYJJWECL-SFYZADRCSA-N 1 1 304.376 -1.550 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC001329097576 917142053 /nfs/dbraw/zinc/14/20/53/917142053.db2.gz BJJVZWOHISZOHE-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)CN2CC[NH+](C)CC2)c1=O ZINC001329159649 917148317 /nfs/dbraw/zinc/14/83/17/917148317.db2.gz CVELKZCDUIRXNN-UHFFFAOYSA-N 1 1 323.397 -1.699 20 0 DAADMO C[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329329907 917160911 /nfs/dbraw/zinc/16/09/11/917160911.db2.gz MHVDVESLNNTPGP-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001329408715 917163494 /nfs/dbraw/zinc/16/34/94/917163494.db2.gz JCBLNKALASWRFP-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001329408715 917163500 /nfs/dbraw/zinc/16/35/00/917163500.db2.gz JCBLNKALASWRFP-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329423985 917164515 /nfs/dbraw/zinc/16/45/15/917164515.db2.gz ABPIIWVFBLUWAJ-CMPLNLGQSA-N 1 1 314.386 -1.008 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)[N@@H+](C)CCOCCO)C1 ZINC001329424425 917166152 /nfs/dbraw/zinc/16/61/52/917166152.db2.gz CQMSRXODZHHFKG-LLVKDONJSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001329437771 917167944 /nfs/dbraw/zinc/16/79/44/917167944.db2.gz MMZKCXUWKNGUGQ-LBPRGKRZSA-N 1 1 315.418 -2.218 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)[N@@H+](C)CCOCCO)C1 ZINC001329424426 917168052 /nfs/dbraw/zinc/16/80/52/917168052.db2.gz CQMSRXODZHHFKG-NSHDSACASA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)[C@H]1CCNC1=O ZINC001329475875 917171983 /nfs/dbraw/zinc/17/19/83/917171983.db2.gz WVHZQMFTWLPHES-SFYZADRCSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)[C@H]1CCNC1=O ZINC001329475875 917171995 /nfs/dbraw/zinc/17/19/95/917171995.db2.gz WVHZQMFTWLPHES-SFYZADRCSA-N 1 1 306.313 -1.307 20 0 DAADMO CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001329472081 917172257 /nfs/dbraw/zinc/17/22/57/917172257.db2.gz XPRKPARGDATUDV-NXEZZACHSA-N 1 1 319.383 -2.264 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)CC[C@@H]21 ZINC001329495214 917175894 /nfs/dbraw/zinc/17/58/94/917175894.db2.gz SQIIEABTGIIIHH-NDBYEHHHSA-N 1 1 311.382 -1.649 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[N@@H+](C)CCOCCO ZINC001329517981 917177176 /nfs/dbraw/zinc/17/71/76/917177176.db2.gz VJDKJNSYHMFKML-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329530234 917178738 /nfs/dbraw/zinc/17/87/38/917178738.db2.gz FHTZJZTZKUCGEV-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329530234 917178744 /nfs/dbraw/zinc/17/87/44/917178744.db2.gz FHTZJZTZKUCGEV-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605968 917181850 /nfs/dbraw/zinc/18/18/50/917181850.db2.gz BDWCRIITGZAPIQ-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001329726920 917193697 /nfs/dbraw/zinc/19/36/97/917193697.db2.gz YQIIQXPPOVIDTF-LBPRGKRZSA-N 1 1 311.430 -1.406 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001329717830 917193723 /nfs/dbraw/zinc/19/37/23/917193723.db2.gz LKCKJNQLXQMQCO-UHFFFAOYSA-N 1 1 310.354 -1.499 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2COC[C@@H]2C1 ZINC001329777889 917196303 /nfs/dbraw/zinc/19/63/03/917196303.db2.gz ZYGVFIJZRHMZQY-QNWHQSFQSA-N 1 1 309.366 -1.631 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001329763439 917197116 /nfs/dbraw/zinc/19/71/16/917197116.db2.gz HMSGGYRYZUGEIS-NWDGAFQWSA-N 1 1 322.369 -1.589 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H](O)[C@@H](CO)C1 ZINC001329969494 917216005 /nfs/dbraw/zinc/21/60/05/917216005.db2.gz FFPGLDYHKAXDMP-KXNHARMFSA-N 1 1 313.354 -2.925 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]2)CC1 ZINC001329973787 917218067 /nfs/dbraw/zinc/21/80/67/917218067.db2.gz PPZTWFBRXFNLLJ-QWHCGFSZSA-N 1 1 322.409 -1.382 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ncn1 ZINC001330001364 917220532 /nfs/dbraw/zinc/22/05/32/917220532.db2.gz IOEVUWZBQDGQEE-QWHCGFSZSA-N 1 1 319.365 -1.321 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1COCCN1 ZINC001330025116 917224200 /nfs/dbraw/zinc/22/42/00/917224200.db2.gz WUNMOJNOOFUPIK-VXGBXAGGSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1COCCN1 ZINC001330025116 917224211 /nfs/dbraw/zinc/22/42/11/917224211.db2.gz WUNMOJNOOFUPIK-VXGBXAGGSA-N 1 1 310.398 -1.309 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001330074116 917225343 /nfs/dbraw/zinc/22/53/43/917225343.db2.gz KLXACDUDIQSVEA-VHSXEESVSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001330074114 917227384 /nfs/dbraw/zinc/22/73/84/917227384.db2.gz KLXACDUDIQSVEA-NXEZZACHSA-N 1 1 324.381 -1.294 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001330259786 917235133 /nfs/dbraw/zinc/23/51/33/917235133.db2.gz VZGYHPBNWHLOTD-CNDDSTCGSA-N 1 1 315.370 -1.355 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001330270644 917236858 /nfs/dbraw/zinc/23/68/58/917236858.db2.gz PIKDGSFAVJUQRE-JTQLQIEISA-N 1 1 322.369 -1.235 20 0 DAADMO CO[C@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001330331319 917239613 /nfs/dbraw/zinc/23/96/13/917239613.db2.gz HVUBSSWBTMOWLM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001330359830 917241857 /nfs/dbraw/zinc/24/18/57/917241857.db2.gz KZTQQPGUVGOWGJ-DOLQZWNJSA-N 1 1 323.353 -2.246 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(O)(CO)CC3)C[C@@H]21 ZINC001330476571 917249536 /nfs/dbraw/zinc/24/95/36/917249536.db2.gz YSZPHYMJZYLMPR-NEPJUHHUSA-N 1 1 311.382 -1.505 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC001330586070 917256848 /nfs/dbraw/zinc/25/68/48/917256848.db2.gz NAGXWSKFJZYELA-TXEJJXNPSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(N[C@H]1C[C@H](C[NH2+]CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001330622514 917258863 /nfs/dbraw/zinc/25/88/63/917258863.db2.gz RNSGJYAKGIFMRX-MGCOHNPYSA-N 1 1 307.358 -1.072 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(O)(CO)CC2)C1 ZINC001330701310 917260299 /nfs/dbraw/zinc/26/02/99/917260299.db2.gz BGVQHMXZMJDUSY-LBPRGKRZSA-N 1 1 313.398 -1.067 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCOCCF ZINC001330934981 917271772 /nfs/dbraw/zinc/27/17/72/917271772.db2.gz PHSDUNZHDPGSCV-LLVKDONJSA-N 1 1 304.366 -1.549 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cc[n+]([O-])cc1)[C@H]1CCNC1=O ZINC001331094515 917275908 /nfs/dbraw/zinc/27/59/08/917275908.db2.gz RHLCQLKSXQOIBZ-ZDUSSCGKSA-N 1 1 322.365 -1.113 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1COCCO1)[C@H]1CCNC1=O ZINC001331101955 917275946 /nfs/dbraw/zinc/27/59/46/917275946.db2.gz CJYVZMQKXXASHX-NWDGAFQWSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1COCCO1)[C@@H]1CCNC1=O ZINC001331101958 917277346 /nfs/dbraw/zinc/27/73/46/917277346.db2.gz CJYVZMQKXXASHX-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@]12C[C@H]1COC2)[C@H]1CCNC1=O ZINC001331123193 917279364 /nfs/dbraw/zinc/27/93/64/917279364.db2.gz QHAQNPQZHYURTR-HUBLWGQQSA-N 1 1 311.382 -1.024 20 0 DAADMO CC(=O)N1CC(C(=O)NCCOCC[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001331119415 917281023 /nfs/dbraw/zinc/28/10/23/917281023.db2.gz ZYQOSRLGDBAGBQ-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CN1CC[C@H]([NH2+]CCCOCCNC(=O)c2ncn[nH]2)C1=O ZINC001331238919 917289419 /nfs/dbraw/zinc/28/94/19/917289419.db2.gz BXSWAQOCFJJNPD-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CN1CC[C@H]([NH2+]CCCOCCNC(=O)c2nc[nH]n2)C1=O ZINC001331238919 917289431 /nfs/dbraw/zinc/28/94/31/917289431.db2.gz BXSWAQOCFJJNPD-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001331319176 917290247 /nfs/dbraw/zinc/29/02/47/917290247.db2.gz OGQDJTFOFXXRHG-SNVBAGLBSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001331669156 917313406 /nfs/dbraw/zinc/31/34/06/917313406.db2.gz XXGGRBPNSXYBFU-UWVGGRQHSA-N 1 1 322.369 -1.196 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001331669153 917314613 /nfs/dbraw/zinc/31/46/13/917314613.db2.gz XXGGRBPNSXYBFU-NXEZZACHSA-N 1 1 322.369 -1.196 20 0 DAADMO COc1cc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)sn1 ZINC001331684330 917316731 /nfs/dbraw/zinc/31/67/31/917316731.db2.gz PCHKEAFPQOXHRM-ZETCQYMHSA-N 1 1 302.356 -1.406 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001331741095 917327019 /nfs/dbraw/zinc/32/70/19/917327019.db2.gz UPNMNQHFNHNMSR-GFCCVEGCSA-N 1 1 322.365 -1.220 20 0 DAADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331752991 917331091 /nfs/dbraw/zinc/33/10/91/917331091.db2.gz IJDQGQLKGGSSGB-VIFPVBQESA-N 1 1 307.372 -2.406 20 0 DAADMO C[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001331760749 917335253 /nfs/dbraw/zinc/33/52/53/917335253.db2.gz AWBCVGZQIVCIQZ-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)CN(C(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O)C(C)C ZINC001331773681 917335648 /nfs/dbraw/zinc/33/56/48/917335648.db2.gz HLMFXNUACUVGFH-LLVKDONJSA-N 1 1 316.402 -1.569 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC001331780285 917337338 /nfs/dbraw/zinc/33/73/38/917337338.db2.gz MRBCPQJTWXUDOX-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC001331780285 917337348 /nfs/dbraw/zinc/33/73/48/917337348.db2.gz MRBCPQJTWXUDOX-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001331806528 917342704 /nfs/dbraw/zinc/34/27/04/917342704.db2.gz WTENWSGYUUALBU-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC001331834783 917342964 /nfs/dbraw/zinc/34/29/64/917342964.db2.gz JUZGANFSFZDLRB-GFCCVEGCSA-N 1 1 322.365 -1.254 20 0 DAADMO COCC(=O)NCCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001331881899 917348141 /nfs/dbraw/zinc/34/81/41/917348141.db2.gz SMVNEPMRJKFGOF-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC=C[C@@H]1CO ZINC001332109350 917354295 /nfs/dbraw/zinc/35/42/95/917354295.db2.gz MALYBPMPKKRWSM-JHJVBQTASA-N 1 1 309.366 -1.275 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC=C[C@H]1CO ZINC001332109351 917355774 /nfs/dbraw/zinc/35/57/74/917355774.db2.gz MALYBPMPKKRWSM-RWMBFGLXSA-N 1 1 309.366 -1.275 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001332211747 917357921 /nfs/dbraw/zinc/35/79/21/917357921.db2.gz RPLVSUSJFORDNA-JTQLQIEISA-N 1 1 312.370 -1.135 20 0 DAADMO C[C@H](C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001332201712 917358738 /nfs/dbraw/zinc/35/87/38/917358738.db2.gz MDIPTBWHZLQGNJ-UTUOFQBUSA-N 1 1 308.382 -1.305 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001332490852 917377216 /nfs/dbraw/zinc/37/72/16/917377216.db2.gz ZFOZCEUSUXDLKG-GFCCVEGCSA-N 1 1 307.358 -1.347 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001332506068 917378647 /nfs/dbraw/zinc/37/86/47/917378647.db2.gz VPNQYIFXKFKFAN-SECBINFHSA-N 1 1 313.362 -2.355 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C(C)(C)C)C(=O)C(N)=O ZINC001332562091 917384893 /nfs/dbraw/zinc/38/48/93/917384893.db2.gz RUVQRORTXPZQLI-VIFPVBQESA-N 1 1 312.374 -1.573 20 0 DAADMO CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001332634535 917396843 /nfs/dbraw/zinc/39/68/43/917396843.db2.gz XXTZGPYCCVPOLV-QWRGUYRKSA-N 1 1 314.386 -1.008 20 0 DAADMO CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001332634534 917397069 /nfs/dbraw/zinc/39/70/69/917397069.db2.gz XXTZGPYCCVPOLV-MNOVXSKESA-N 1 1 314.386 -1.008 20 0 DAADMO CC[C@@]1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CCNC1=O ZINC001332631818 917397465 /nfs/dbraw/zinc/39/74/65/917397465.db2.gz KUVOXPGDQMRAEN-SMDDNHRTSA-N 1 1 301.387 -1.354 20 0 DAADMO CC[C@]1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CCNC1=O ZINC001332631816 917398998 /nfs/dbraw/zinc/39/89/98/917398998.db2.gz KUVOXPGDQMRAEN-FZMZJTMJSA-N 1 1 301.387 -1.354 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632273 917399304 /nfs/dbraw/zinc/39/93/04/917399304.db2.gz NIENEQQWZVZBFH-NXEZZACHSA-N 1 1 316.402 -1.617 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632273 917399318 /nfs/dbraw/zinc/39/93/18/917399318.db2.gz NIENEQQWZVZBFH-NXEZZACHSA-N 1 1 316.402 -1.617 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)C1(C(N)=O)CC1 ZINC001332665289 917401116 /nfs/dbraw/zinc/40/11/16/917401116.db2.gz ZCCYVAZDMXAWMG-GFCCVEGCSA-N 1 1 323.397 -1.063 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)C1(C(N)=O)CC1 ZINC001332665289 917401128 /nfs/dbraw/zinc/40/11/28/917401128.db2.gz ZCCYVAZDMXAWMG-GFCCVEGCSA-N 1 1 323.397 -1.063 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332661942 917401233 /nfs/dbraw/zinc/40/12/33/917401233.db2.gz AUAXHAMSHPKVAR-WDEREUQCSA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332661942 917401240 /nfs/dbraw/zinc/40/12/40/917401240.db2.gz AUAXHAMSHPKVAR-WDEREUQCSA-N 1 1 316.402 -1.472 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N(C)CC1CC1)C(=O)C(N)=O ZINC001332663817 917401365 /nfs/dbraw/zinc/40/13/65/917401365.db2.gz PMDYIQJZOYLFCX-NSHDSACASA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N(C)CC1CC1)C(=O)C(N)=O ZINC001332663817 917401369 /nfs/dbraw/zinc/40/13/69/917401369.db2.gz PMDYIQJZOYLFCX-NSHDSACASA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332675409 917401770 /nfs/dbraw/zinc/40/17/70/917401770.db2.gz BUCRMUCWNAPNNG-ZJUUUORDSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332675409 917401785 /nfs/dbraw/zinc/40/17/85/917401785.db2.gz BUCRMUCWNAPNNG-ZJUUUORDSA-N 1 1 303.334 -1.240 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001332664156 917402351 /nfs/dbraw/zinc/40/23/51/917402351.db2.gz SKWLFZXDDDTFHH-UWVGGRQHSA-N 1 1 314.386 -1.733 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332678214 917406199 /nfs/dbraw/zinc/40/61/99/917406199.db2.gz YQZWAMQFTFERIM-QWRGUYRKSA-N 1 1 315.370 -1.827 20 0 DAADMO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001332778836 917408797 /nfs/dbraw/zinc/40/87/97/917408797.db2.gz UZWYPAJLMPIAOT-RAIGVLPGSA-N 1 1 311.382 -1.053 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC=C[C@@H]2CO)CC1(C)C ZINC001332842938 917413470 /nfs/dbraw/zinc/41/34/70/917413470.db2.gz PMXHDOFCESUZIF-CYBMUJFWSA-N 1 1 324.425 -1.112 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001332907655 917416560 /nfs/dbraw/zinc/41/65/60/917416560.db2.gz SVPPCVGELNAUSR-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001332907656 917417454 /nfs/dbraw/zinc/41/74/54/917417454.db2.gz SVPPCVGELNAUSR-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C)on1 ZINC001332927854 917417745 /nfs/dbraw/zinc/41/77/45/917417745.db2.gz PSWAROBWBSKMPR-UHFFFAOYSA-N 1 1 314.342 -1.022 20 0 DAADMO C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332963902 917418913 /nfs/dbraw/zinc/41/89/13/917418913.db2.gz NKLIRBDLYXWRTD-FVCCEPFGSA-N 1 1 311.382 -1.507 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001333099814 917424147 /nfs/dbraw/zinc/42/41/47/917424147.db2.gz IUBSBGNPZXKWOR-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001333099814 917424159 /nfs/dbraw/zinc/42/41/59/917424159.db2.gz IUBSBGNPZXKWOR-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001333099814 917424163 /nfs/dbraw/zinc/42/41/63/917424163.db2.gz IUBSBGNPZXKWOR-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C[C@H]1O ZINC001333247569 917429753 /nfs/dbraw/zinc/42/97/53/917429753.db2.gz CXJSDXFLQYMITN-UPJWGTAASA-N 1 1 305.371 -1.056 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CCOCC[NH2+]CC(=O)N(C)C ZINC001333236157 917431311 /nfs/dbraw/zinc/43/13/11/917431311.db2.gz LTTDIBGVHCQNSR-UHFFFAOYSA-N 1 1 312.374 -1.120 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C[C@H]1O ZINC001333247561 917431588 /nfs/dbraw/zinc/43/15/88/917431588.db2.gz CXJSDXFLQYMITN-JHJVBQTASA-N 1 1 305.371 -1.056 20 0 DAADMO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001333272608 917435472 /nfs/dbraw/zinc/43/54/72/917435472.db2.gz XUXFOSVACIRJCA-IINYFYTJSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001333272608 917435483 /nfs/dbraw/zinc/43/54/83/917435483.db2.gz XUXFOSVACIRJCA-IINYFYTJSA-N 1 1 313.354 -1.403 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H]1CN(C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC001333376966 917439030 /nfs/dbraw/zinc/43/90/30/917439030.db2.gz FFIOKPLCALTTGC-OLZOCXBDSA-N 1 1 311.430 -1.441 20 0 DAADMO COCC[N@@H+]1CC=C(CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001333445215 917443663 /nfs/dbraw/zinc/44/36/63/917443663.db2.gz SPZUCPOUBMAAHM-UHFFFAOYSA-N 1 1 310.354 -1.067 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC001333499415 917445653 /nfs/dbraw/zinc/44/56/53/917445653.db2.gz QFHZZHVCZWPRDC-GFCCVEGCSA-N 1 1 316.383 -1.448 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001333532675 917447777 /nfs/dbraw/zinc/44/77/77/917447777.db2.gz SMTJSWBPGUBKSC-MQYJIDSJSA-N 1 1 309.414 -1.783 20 0 DAADMO CCON(CC)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001333632750 917453898 /nfs/dbraw/zinc/45/38/98/917453898.db2.gz CDUGDPNTXFOMIO-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO CCON(CC)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001333632750 917453910 /nfs/dbraw/zinc/45/39/10/917453910.db2.gz CDUGDPNTXFOMIO-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001333865048 917463642 /nfs/dbraw/zinc/46/36/42/917463642.db2.gz KSDSQJUKFZVCLH-QSAXWINLSA-N 1 1 321.377 -1.444 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001333979355 917469288 /nfs/dbraw/zinc/46/92/88/917469288.db2.gz WMYXLJASKUDEDC-LPEHRKFASA-N 1 1 319.333 -1.551 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001333979355 917469299 /nfs/dbraw/zinc/46/92/99/917469299.db2.gz WMYXLJASKUDEDC-LPEHRKFASA-N 1 1 319.333 -1.551 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001334009170 917471139 /nfs/dbraw/zinc/47/11/39/917471139.db2.gz MKIYXFIUKSIHSP-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1 ZINC001334032216 917472157 /nfs/dbraw/zinc/47/21/57/917472157.db2.gz IJVMMUNOWURIBF-YGRLFVJLSA-N 1 1 306.370 -1.159 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)OC)CC1 ZINC001333994031 917472248 /nfs/dbraw/zinc/47/22/48/917472248.db2.gz HTDSAJJVJCIRIJ-SNVBAGLBSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001333999940 917472562 /nfs/dbraw/zinc/47/25/62/917472562.db2.gz NMWJUAKHTNJITB-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001333999940 917472575 /nfs/dbraw/zinc/47/25/75/917472575.db2.gz NMWJUAKHTNJITB-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001333999940 917472584 /nfs/dbraw/zinc/47/25/84/917472584.db2.gz NMWJUAKHTNJITB-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001333999939 917472672 /nfs/dbraw/zinc/47/26/72/917472672.db2.gz NMWJUAKHTNJITB-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001333999939 917472685 /nfs/dbraw/zinc/47/26/85/917472685.db2.gz NMWJUAKHTNJITB-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001333999939 917472691 /nfs/dbraw/zinc/47/26/91/917472691.db2.gz NMWJUAKHTNJITB-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001334044852 917473077 /nfs/dbraw/zinc/47/30/77/917473077.db2.gz VONFHCXOOZWZJQ-ITGHMWBKSA-N 1 1 323.393 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316894 917483913 /nfs/dbraw/zinc/48/39/13/917483913.db2.gz VOAYSRNSYWTVDE-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316894 917483922 /nfs/dbraw/zinc/48/39/22/917483922.db2.gz VOAYSRNSYWTVDE-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CCN(c2nnnn2CCN2C(=O)CNC2=O)CC1(C)C ZINC001334345979 917484263 /nfs/dbraw/zinc/48/42/63/917484263.db2.gz DGZDFOOKVUUWDZ-UHFFFAOYSA-N 1 1 322.373 -1.245 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1=O ZINC001334422581 917491362 /nfs/dbraw/zinc/49/13/62/917491362.db2.gz UTADBVJTZAGWJR-UHFFFAOYSA-N 1 1 324.337 -1.802 20 0 DAADMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC001334451221 917491396 /nfs/dbraw/zinc/49/13/96/917491396.db2.gz QPIAJOABGFZQMO-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC001334451221 917491410 /nfs/dbraw/zinc/49/14/10/917491410.db2.gz QPIAJOABGFZQMO-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001334501119 917493359 /nfs/dbraw/zinc/49/33/59/917493359.db2.gz QIZOGCOGORQACR-GHMZBOCLSA-N 1 1 324.385 -1.738 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001334501236 917493526 /nfs/dbraw/zinc/49/35/26/917493526.db2.gz FRYQOFOALHTUPW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001334501236 917493538 /nfs/dbraw/zinc/49/35/38/917493538.db2.gz FRYQOFOALHTUPW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CN1CCO[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)C1=O ZINC001334747484 917506327 /nfs/dbraw/zinc/50/63/27/917506327.db2.gz ONIOCVQLJCKNDQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001334787855 917507490 /nfs/dbraw/zinc/50/74/90/917507490.db2.gz KUEKMUREUYZXTE-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CCN(C(=O)CN2CCC(=O)NC2=O)CC[N@@H+](C)CC1 ZINC001334810154 917508316 /nfs/dbraw/zinc/50/83/16/917508316.db2.gz MSVUUXFRBCHFHM-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001334787854 917508782 /nfs/dbraw/zinc/50/87/82/917508782.db2.gz KUEKMUREUYZXTE-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CS(=O)(=O)N1CC(CS(=O)(=O)NCC[NH+]2CC=CC2)C1 ZINC001334850748 917510736 /nfs/dbraw/zinc/51/07/36/917510736.db2.gz UJDGPDWDUXZDSV-UHFFFAOYSA-N 1 1 323.440 -1.331 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334993908 917515538 /nfs/dbraw/zinc/51/55/38/917515538.db2.gz XQIJBMROLFHIDM-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334993908 917515552 /nfs/dbraw/zinc/51/55/52/917515552.db2.gz XQIJBMROLFHIDM-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001335073399 917520921 /nfs/dbraw/zinc/52/09/21/917520921.db2.gz MMAJXWHEZLZPFI-MNOVXSKESA-N 1 1 319.431 -1.272 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001335073401 917521234 /nfs/dbraw/zinc/52/12/34/917521234.db2.gz MMAJXWHEZLZPFI-WDEREUQCSA-N 1 1 319.431 -1.272 20 0 DAADMO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335205562 917529853 /nfs/dbraw/zinc/52/98/53/917529853.db2.gz VFPOQJIIVOSJQQ-CHWSQXEVSA-N 1 1 310.398 -1.620 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CCS1(=O)=O ZINC001335248427 917536713 /nfs/dbraw/zinc/53/67/13/917536713.db2.gz QVOBKQHLPUDVIU-RNFRBKRXSA-N 1 1 313.326 -1.612 20 0 DAADMO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001335231949 917536943 /nfs/dbraw/zinc/53/69/43/917536943.db2.gz ZBLBZFBROTYGLW-ZJUUUORDSA-N 1 1 319.383 -2.216 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC001335769832 917562076 /nfs/dbraw/zinc/56/20/76/917562076.db2.gz WZRWSODBJXHOQX-LBPRGKRZSA-N 1 1 313.402 -1.850 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C(=O)N(C)C ZINC001335891617 917564788 /nfs/dbraw/zinc/56/47/88/917564788.db2.gz IYBXZPSAZCRQFX-ZIBATOQPSA-N 1 1 310.398 -1.011 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001335951477 917565938 /nfs/dbraw/zinc/56/59/38/917565938.db2.gz ORBAWMMKGKZSBQ-ZDUSSCGKSA-N 1 1 320.459 -1.780 20 0 DAADMO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001336331218 917579888 /nfs/dbraw/zinc/57/98/88/917579888.db2.gz YHFBGSDBMAIAIG-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001336331218 917579899 /nfs/dbraw/zinc/57/98/99/917579899.db2.gz YHFBGSDBMAIAIG-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001336331215 917580171 /nfs/dbraw/zinc/58/01/71/917580171.db2.gz YHFBGSDBMAIAIG-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001336331215 917580174 /nfs/dbraw/zinc/58/01/74/917580174.db2.gz YHFBGSDBMAIAIG-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001336365558 917580187 /nfs/dbraw/zinc/58/01/87/917580187.db2.gz UETYQGDAZNERHS-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001336365558 917580192 /nfs/dbraw/zinc/58/01/92/917580192.db2.gz UETYQGDAZNERHS-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001336368640 917582211 /nfs/dbraw/zinc/58/22/11/917582211.db2.gz ADVIBNLQZUMGSE-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001336368640 917582228 /nfs/dbraw/zinc/58/22/28/917582228.db2.gz ADVIBNLQZUMGSE-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001336368642 917582698 /nfs/dbraw/zinc/58/26/98/917582698.db2.gz ADVIBNLQZUMGSE-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001336368642 917582718 /nfs/dbraw/zinc/58/27/18/917582718.db2.gz ADVIBNLQZUMGSE-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CO[C@H]1C[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001336393925 917583431 /nfs/dbraw/zinc/58/34/31/917583431.db2.gz KIGFQBLFVHSTCD-RVMXOQNASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)C[C@]2(C)C1 ZINC001336457056 917586627 /nfs/dbraw/zinc/58/66/27/917586627.db2.gz MPYGZCFUTWNJAO-ABAIWWIYSA-N 1 1 308.382 -1.255 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336557446 917592280 /nfs/dbraw/zinc/59/22/80/917592280.db2.gz RCFJOLZFWYEWIC-MROQNXINSA-N 1 1 309.414 -1.643 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC001336774451 917604276 /nfs/dbraw/zinc/60/42/76/917604276.db2.gz QBWZFHNKZBHJRT-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCCOCCNC(=O)C(N)=O)C1 ZINC001336848996 917606753 /nfs/dbraw/zinc/60/67/53/917606753.db2.gz CCDPOQCMPIYIHZ-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610882 917633232 /nfs/dbraw/zinc/63/32/32/917633232.db2.gz XGIJGQGNBRPRJG-OLZOCXBDSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610882 917633243 /nfs/dbraw/zinc/63/32/43/917633243.db2.gz XGIJGQGNBRPRJG-OLZOCXBDSA-N 1 1 311.382 -1.124 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)C(C)(C)C(N)=O ZINC001337691318 917643903 /nfs/dbraw/zinc/64/39/03/917643903.db2.gz RQKQGOODJTYANA-SNVBAGLBSA-N 1 1 316.402 -1.569 20 0 DAADMO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001337739188 917651142 /nfs/dbraw/zinc/65/11/42/917651142.db2.gz ZDVNVNUSFADSRR-JTQLQIEISA-N 1 1 311.342 -2.079 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001338321955 917678459 /nfs/dbraw/zinc/67/84/59/917678459.db2.gz MFKNYGFKCVVBDJ-AAVRWANBSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001338321955 917678472 /nfs/dbraw/zinc/67/84/72/917678472.db2.gz MFKNYGFKCVVBDJ-AAVRWANBSA-N 1 1 324.425 -1.103 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001338434475 917681593 /nfs/dbraw/zinc/68/15/93/917681593.db2.gz LRSSDKHYVRABHX-AWEZNQCLSA-N 1 1 324.425 -1.111 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001338553658 917689606 /nfs/dbraw/zinc/68/96/06/917689606.db2.gz PWPXZKQTGLUQDO-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001338528042 917689795 /nfs/dbraw/zinc/68/97/95/917689795.db2.gz IULSNSBDYXRFRQ-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001338511479 917689837 /nfs/dbraw/zinc/68/98/37/917689837.db2.gz KPNPXVUMFDBVRL-VHSXEESVSA-N 1 1 316.358 -2.872 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001338511479 917689848 /nfs/dbraw/zinc/68/98/48/917689848.db2.gz KPNPXVUMFDBVRL-VHSXEESVSA-N 1 1 316.358 -2.872 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001338511478 917690016 /nfs/dbraw/zinc/69/00/16/917690016.db2.gz KPNPXVUMFDBVRL-UWVGGRQHSA-N 1 1 316.358 -2.872 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001338511478 917690037 /nfs/dbraw/zinc/69/00/37/917690037.db2.gz KPNPXVUMFDBVRL-UWVGGRQHSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001338553669 917690728 /nfs/dbraw/zinc/69/07/28/917690728.db2.gz PWPXZKQTGLUQDO-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001338553671 917691257 /nfs/dbraw/zinc/69/12/57/917691257.db2.gz PWPXZKQTGLUQDO-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O)C1 ZINC001338596093 917696159 /nfs/dbraw/zinc/69/61/59/917696159.db2.gz QUDMVKFKCPCZFQ-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001338598616 917699336 /nfs/dbraw/zinc/69/93/36/917699336.db2.gz YOMPFTKZUBJTMW-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C(N)=O ZINC001338657734 917702926 /nfs/dbraw/zinc/70/29/26/917702926.db2.gz CODXQWDCDZMLKX-VHSXEESVSA-N 1 1 300.359 -2.299 20 0 DAADMO COCCN(CCNC(=O)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001339012095 917710750 /nfs/dbraw/zinc/71/07/50/917710750.db2.gz ZBDJUKXNMKCABL-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCN3CCCS3(=O)=O)C2)N1 ZINC001339474217 917716213 /nfs/dbraw/zinc/71/62/13/917716213.db2.gz GHHTWGDPHSGCPN-LBPRGKRZSA-N 1 1 316.383 -1.304 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)CCNC(=O)CO)CC1 ZINC001339372990 917716361 /nfs/dbraw/zinc/71/63/61/917716361.db2.gz QBTMAHMLXUURGO-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)CCNC(=O)CO)CC1 ZINC001339372990 917716375 /nfs/dbraw/zinc/71/63/75/917716375.db2.gz QBTMAHMLXUURGO-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)CCNC(=O)CO)CC1 ZINC001339372990 917716386 /nfs/dbraw/zinc/71/63/86/917716386.db2.gz QBTMAHMLXUURGO-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO CNC(=O)C[NH+]1CCC(N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)CC1 ZINC001339979357 917725005 /nfs/dbraw/zinc/72/50/05/917725005.db2.gz JPWIPTLPHAPVAJ-AAEUAGOBSA-N 1 1 324.381 -1.016 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN2C1=O ZINC001340049740 917727653 /nfs/dbraw/zinc/72/76/53/917727653.db2.gz VRPNPLNUDUEGLJ-VIFPVBQESA-N 1 1 309.326 -1.494 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN2C1=O ZINC001340049740 917727668 /nfs/dbraw/zinc/72/76/68/917727668.db2.gz VRPNPLNUDUEGLJ-VIFPVBQESA-N 1 1 309.326 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001340009770 917728239 /nfs/dbraw/zinc/72/82/39/917728239.db2.gz JIVACVMFJYRCOT-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CNCCS1(=O)=O ZINC001340173592 917730809 /nfs/dbraw/zinc/73/08/09/917730809.db2.gz UMLRDIWXDBWNOO-NSHDSACASA-N 1 1 307.416 -1.543 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1OCCN(C)C1=O ZINC001340298350 917732783 /nfs/dbraw/zinc/73/27/83/917732783.db2.gz SMUCWXKDHZCEIH-QWRGUYRKSA-N 1 1 307.354 -1.250 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC(F)C2)CC1 ZINC001340465481 917733459 /nfs/dbraw/zinc/73/34/59/917733459.db2.gz NEOJKYRTSQSFOR-UHFFFAOYSA-N 1 1 300.334 -1.553 20 0 DAADMO CCN(CCO)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001340496483 917736983 /nfs/dbraw/zinc/73/69/83/917736983.db2.gz DZSYSBGZVVMCHB-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC001340596134 917737696 /nfs/dbraw/zinc/73/76/96/917737696.db2.gz JGPJBNUUTDGYAO-SRVKXCTJSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H](CCCCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770664 917740096 /nfs/dbraw/zinc/74/00/96/917740096.db2.gz JCRGXIFFMNEDKH-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770664 917740107 /nfs/dbraw/zinc/74/01/07/917740107.db2.gz JCRGXIFFMNEDKH-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001340926941 917746665 /nfs/dbraw/zinc/74/66/65/917746665.db2.gz ATQGSGUKLSKQAB-QLFBSQMISA-N 1 1 307.442 -1.119 20 0 DAADMO O=C(CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CCOCC1 ZINC001341030639 917747997 /nfs/dbraw/zinc/74/79/97/917747997.db2.gz JTUHWQCTFZDJJY-NSHDSACASA-N 1 1 324.381 -1.686 20 0 DAADMO CN(CCO)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001341184643 917749438 /nfs/dbraw/zinc/74/94/38/917749438.db2.gz OSRPLQNTOHKXBX-LLVKDONJSA-N 1 1 314.386 -1.859 20 0 DAADMO COC[C@]1(C(=O)N2CCN(C)CCN(C)CC2)C[NH2+]CCO1 ZINC001341395556 917757830 /nfs/dbraw/zinc/75/78/30/917757830.db2.gz UPPLVRSEKVUWQN-HNNXBMFYSA-N 1 1 314.430 -1.303 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001341658823 917761032 /nfs/dbraw/zinc/76/10/32/917761032.db2.gz ZNUGXIFNXMMFJW-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1O ZINC001341664234 917762779 /nfs/dbraw/zinc/76/27/79/917762779.db2.gz QOVIYMFYKOJMFG-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001341853690 917766861 /nfs/dbraw/zinc/76/68/61/917766861.db2.gz CIUSLVNCGPFGKN-GHMZBOCLSA-N 1 1 317.386 -1.053 20 0 DAADMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001341853694 917767046 /nfs/dbraw/zinc/76/70/46/917767046.db2.gz CIUSLVNCGPFGKN-QWRGUYRKSA-N 1 1 317.386 -1.053 20 0 DAADMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001341853695 917767200 /nfs/dbraw/zinc/76/72/00/917767200.db2.gz CIUSLVNCGPFGKN-WDEREUQCSA-N 1 1 317.386 -1.053 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@@](C)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001341919485 917769451 /nfs/dbraw/zinc/76/94/51/917769451.db2.gz OBPIKQPGWWJWED-QDDONVENSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@@](C)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001341919485 917769460 /nfs/dbraw/zinc/76/94/60/917769460.db2.gz OBPIKQPGWWJWED-QDDONVENSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@](C)=O)[C@H]1C[N@H+](C)CCO1 ZINC001341919480 917769876 /nfs/dbraw/zinc/76/98/76/917769876.db2.gz OBPIKQPGWWJWED-AUKWLOTRSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@](C)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001341919480 917769887 /nfs/dbraw/zinc/76/98/87/917769887.db2.gz OBPIKQPGWWJWED-AUKWLOTRSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001341945662 917772176 /nfs/dbraw/zinc/77/21/76/917772176.db2.gz NLUMXQPYMOIUKZ-MNOVXSKESA-N 1 1 309.370 -1.615 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC001342096435 917775221 /nfs/dbraw/zinc/77/52/21/917775221.db2.gz BDHYPYZVXKUOCA-QMMMGPOBSA-N 1 1 317.371 -1.899 20 0 DAADMO Cn1ccc(CCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001342102207 917779721 /nfs/dbraw/zinc/77/97/21/917779721.db2.gz YYOTUPGWTUPUNY-ZDUSSCGKSA-N 1 1 322.413 -1.559 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001342411429 917785728 /nfs/dbraw/zinc/78/57/28/917785728.db2.gz PMOMCCUVVYOTFT-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ncn(C)n1 ZINC001342417256 917785931 /nfs/dbraw/zinc/78/59/31/917785931.db2.gz OLIBTAURRNFRAB-UHFFFAOYSA-N 1 1 312.374 -1.484 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC001342411450 917786050 /nfs/dbraw/zinc/78/60/50/917786050.db2.gz PMOMCCUVVYOTFT-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c(=O)[nH]c1=O ZINC001342640370 917788305 /nfs/dbraw/zinc/78/83/05/917788305.db2.gz URNSQWOOXSMVEM-UHFFFAOYSA-N 1 1 309.370 -1.195 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001342734969 917788703 /nfs/dbraw/zinc/78/87/03/917788703.db2.gz QVPMPFXBTJCYSR-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)CC(N)=O ZINC001342820845 917790666 /nfs/dbraw/zinc/79/06/66/917790666.db2.gz VYBQDZRPUQKAHO-GHMZBOCLSA-N 1 1 323.353 -1.591 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cn1 ZINC001343350172 917806198 /nfs/dbraw/zinc/80/61/98/917806198.db2.gz JJDPAFLZEXJYBF-UHFFFAOYSA-N 1 1 320.353 -1.444 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@H+](CCNS(C)(=O)=O)C1 ZINC001343904663 917818879 /nfs/dbraw/zinc/81/88/79/917818879.db2.gz GIHNCMXZBVDYOJ-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCNS(C)(=O)=O)C1 ZINC001343904663 917818890 /nfs/dbraw/zinc/81/88/90/917818890.db2.gz GIHNCMXZBVDYOJ-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185161 917824139 /nfs/dbraw/zinc/82/41/39/917824139.db2.gz NFWZAXQTZJYAFG-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185161 917824152 /nfs/dbraw/zinc/82/41/52/917824152.db2.gz NFWZAXQTZJYAFG-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1=O ZINC001344729829 917830023 /nfs/dbraw/zinc/83/00/23/917830023.db2.gz SIBHTNYFLOCODZ-LBPRGKRZSA-N 1 1 308.382 -1.016 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@H+](CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001345097961 917834854 /nfs/dbraw/zinc/83/48/54/917834854.db2.gz OOPKXXLXJAALJZ-VWYCJHECSA-N 1 1 303.384 -1.198 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001345097961 917834871 /nfs/dbraw/zinc/83/48/71/917834871.db2.gz OOPKXXLXJAALJZ-VWYCJHECSA-N 1 1 303.384 -1.198 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116273 917836511 /nfs/dbraw/zinc/83/65/11/917836511.db2.gz GCSHWRGTOPZPMI-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001345181765 917839324 /nfs/dbraw/zinc/83/93/24/917839324.db2.gz DIEUBZHDAPVGMK-RWMBFGLXSA-N 1 1 310.398 -1.404 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001345181765 917839340 /nfs/dbraw/zinc/83/93/40/917839340.db2.gz DIEUBZHDAPVGMK-RWMBFGLXSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC001345571452 917847108 /nfs/dbraw/zinc/84/71/08/917847108.db2.gz QAXZBFQMDVIBRO-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ncn(C)n1 ZINC001345579697 917847981 /nfs/dbraw/zinc/84/79/81/917847981.db2.gz VJTWRBABHLWMPZ-SNVBAGLBSA-N 1 1 312.374 -1.313 20 0 DAADMO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001345619693 917850310 /nfs/dbraw/zinc/85/03/10/917850310.db2.gz UORKBOBBUDGNDO-GFCCVEGCSA-N 1 1 308.448 -1.924 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001345770830 917856994 /nfs/dbraw/zinc/85/69/94/917856994.db2.gz AYUYZKKLEJVXPG-WDEREUQCSA-N 1 1 314.386 -1.720 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001345799313 917858791 /nfs/dbraw/zinc/85/87/91/917858791.db2.gz KUSBVLJNEOWAQX-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001345799315 917858959 /nfs/dbraw/zinc/85/89/59/917858959.db2.gz KUSBVLJNEOWAQX-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO [NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001345957974 917864811 /nfs/dbraw/zinc/86/48/11/917864811.db2.gz FYQIMKTUIUGKCO-CHWSQXEVSA-N 1 1 312.414 -1.101 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cncn2)C1 ZINC001346142141 917870752 /nfs/dbraw/zinc/87/07/52/917870752.db2.gz PTOOXLLPDQZWGB-NSHDSACASA-N 1 1 310.358 -1.769 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC001346154166 917874021 /nfs/dbraw/zinc/87/40/21/917874021.db2.gz ZTLUMRLXBHFLNG-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnn2)C1 ZINC001346154159 917874155 /nfs/dbraw/zinc/87/41/55/917874155.db2.gz ZSUJVNPOJMLXBW-GFCCVEGCSA-N 1 1 307.354 -1.070 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC001346154164 917875143 /nfs/dbraw/zinc/87/51/43/917875143.db2.gz ZTLUMRLXBHFLNG-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnn2)C1 ZINC001346154161 917875371 /nfs/dbraw/zinc/87/53/71/917875371.db2.gz ZSUJVNPOJMLXBW-LBPRGKRZSA-N 1 1 307.354 -1.070 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC001346281305 917880506 /nfs/dbraw/zinc/88/05/06/917880506.db2.gz HUROQDQFZVIXAT-YUMQZZPRSA-N 1 1 323.296 -1.515 20 0 DAADMO CN(CCCCCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001346278216 917880690 /nfs/dbraw/zinc/88/06/90/917880690.db2.gz UZDZPBWOXJEJJX-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCc1cn(C)nn1)C[NH+]1CCOCC1 ZINC001346321304 917883997 /nfs/dbraw/zinc/88/39/97/917883997.db2.gz HSQBFHFHHKKSPR-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001346422255 917887983 /nfs/dbraw/zinc/88/79/83/917887983.db2.gz BYSHQUUOSNCWPC-LLVKDONJSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001346422255 917887994 /nfs/dbraw/zinc/88/79/94/917887994.db2.gz BYSHQUUOSNCWPC-LLVKDONJSA-N 1 1 314.386 -1.401 20 0 DAADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001346515686 917888997 /nfs/dbraw/zinc/88/89/97/917888997.db2.gz HQOGEAUTOKKUFR-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO CN(Cc1ccon1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346518674 917891043 /nfs/dbraw/zinc/89/10/43/917891043.db2.gz WLQYDABSGOLZCN-NWDGAFQWSA-N 1 1 308.338 -1.090 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001346519280 917892187 /nfs/dbraw/zinc/89/21/87/917892187.db2.gz IAFHTUADALXENE-PWSUYJOCSA-N 1 1 306.370 -1.356 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCS(C)(=O)=O ZINC001346524541 917892280 /nfs/dbraw/zinc/89/22/80/917892280.db2.gz RYZPJMLTBXQCRZ-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO Cn1nccc1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346562391 917892457 /nfs/dbraw/zinc/89/24/57/917892457.db2.gz DKZCGZSRFIHUJP-QWHCGFSZSA-N 1 1 321.381 -1.644 20 0 DAADMO CS(=O)(=O)NCCNC(=S)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346541022 917892590 /nfs/dbraw/zinc/89/25/90/917892590.db2.gz PMWWWPORRBABKT-VHSXEESVSA-N 1 1 322.456 -1.839 20 0 DAADMO O=C1C[C@@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C(=O)N1CCCO ZINC001346626068 917896520 /nfs/dbraw/zinc/89/65/20/917896520.db2.gz QXCTYJQQDAPOQJ-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)c1cnccn1)N1CC[NH+](C)CC1 ZINC001347053745 917906254 /nfs/dbraw/zinc/90/62/54/917906254.db2.gz PXYSJOABUSRAOG-LBPRGKRZSA-N 1 1 320.397 -1.042 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)c1cnccn1)N1CC[NH+](C)CC1 ZINC001347053743 917907401 /nfs/dbraw/zinc/90/74/01/917907401.db2.gz PXYSJOABUSRAOG-GFCCVEGCSA-N 1 1 320.397 -1.042 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)OC ZINC001347071056 917910144 /nfs/dbraw/zinc/91/01/44/917910144.db2.gz MAYGHVHCCXRVTB-GRYCIOLGSA-N 1 1 317.386 -1.401 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)OC ZINC001347071056 917910156 /nfs/dbraw/zinc/91/01/56/917910156.db2.gz MAYGHVHCCXRVTB-GRYCIOLGSA-N 1 1 317.386 -1.401 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@@H]1O ZINC001347205989 917912613 /nfs/dbraw/zinc/91/26/13/917912613.db2.gz RTEUZADLOSSCMR-AVGNSLFASA-N 1 1 313.398 -1.043 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347141789 917913291 /nfs/dbraw/zinc/91/32/91/917913291.db2.gz XEFAFDQDIQAYMT-GHMZBOCLSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001347144393 917913707 /nfs/dbraw/zinc/91/37/07/917913707.db2.gz ZSYUPBKTDGGNOK-CJTUPEFNSA-N 1 1 320.393 -1.114 20 0 DAADMO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342676 917917398 /nfs/dbraw/zinc/91/73/98/917917398.db2.gz LXIDWZPHYPNLMN-MELADBBJSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342676 917917402 /nfs/dbraw/zinc/91/74/02/917917402.db2.gz LXIDWZPHYPNLMN-MELADBBJSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342675 917918006 /nfs/dbraw/zinc/91/80/06/917918006.db2.gz LXIDWZPHYPNLMN-IHRRRGAJSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342675 917918024 /nfs/dbraw/zinc/91/80/24/917918024.db2.gz LXIDWZPHYPNLMN-IHRRRGAJSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC001347537572 917921342 /nfs/dbraw/zinc/92/13/42/917921342.db2.gz LUPXBUXEBZWGPB-USWWRNFRSA-N 1 1 306.366 -1.219 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1C(=O)CCC1=O ZINC001347700281 917922544 /nfs/dbraw/zinc/92/25/44/917922544.db2.gz RLZMCJJOIRQTJH-UHFFFAOYSA-N 1 1 310.354 -1.632 20 0 DAADMO CNS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC001347918243 917926539 /nfs/dbraw/zinc/92/65/39/917926539.db2.gz FJEXPAXUTOBLAG-UHFFFAOYSA-N 1 1 304.372 -1.448 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC2)CC1 ZINC001348107917 917930639 /nfs/dbraw/zinc/93/06/39/917930639.db2.gz RIXRURFTKDKZOP-LBPRGKRZSA-N 1 1 308.382 -1.016 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001348485055 917949750 /nfs/dbraw/zinc/94/97/50/917949750.db2.gz NMHNMLKFHXQVIE-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CN(C)C(C)=O)C1 ZINC001348504203 917951507 /nfs/dbraw/zinc/95/15/07/917951507.db2.gz BLBBARJRHGYVBT-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CN(C)C(C)=O)C1 ZINC001348504203 917951521 /nfs/dbraw/zinc/95/15/21/917951521.db2.gz BLBBARJRHGYVBT-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)CCC2=O)C1 ZINC001348603588 917956203 /nfs/dbraw/zinc/95/62/03/917956203.db2.gz MTZCHUVWWVQVAO-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO COCC(=O)NCCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001348647111 917959737 /nfs/dbraw/zinc/95/97/37/917959737.db2.gz ICBLMYADIATTOZ-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CCS(C)(=O)=O ZINC001348648614 917961320 /nfs/dbraw/zinc/96/13/20/917961320.db2.gz WKVWJYFITUZSHC-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CCS(C)(=O)=O ZINC001348648613 917962357 /nfs/dbraw/zinc/96/23/57/917962357.db2.gz WKVWJYFITUZSHC-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001348701785 917964407 /nfs/dbraw/zinc/96/44/07/917964407.db2.gz RKFKACRDAUWPHL-DTWKUNHWSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001348701785 917964424 /nfs/dbraw/zinc/96/44/24/917964424.db2.gz RKFKACRDAUWPHL-DTWKUNHWSA-N 1 1 301.347 -2.394 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001348702798 917964649 /nfs/dbraw/zinc/96/46/49/917964649.db2.gz XPSKFIJSQPRMKS-JTQLQIEISA-N 1 1 319.383 -2.406 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001348702798 917964669 /nfs/dbraw/zinc/96/46/69/917964669.db2.gz XPSKFIJSQPRMKS-JTQLQIEISA-N 1 1 319.383 -2.406 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001348702799 917965345 /nfs/dbraw/zinc/96/53/45/917965345.db2.gz XPSKFIJSQPRMKS-SNVBAGLBSA-N 1 1 319.383 -2.406 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001348702799 917965366 /nfs/dbraw/zinc/96/53/66/917965366.db2.gz XPSKFIJSQPRMKS-SNVBAGLBSA-N 1 1 319.383 -2.406 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC001348699229 917966641 /nfs/dbraw/zinc/96/66/41/917966641.db2.gz ATIFLDFGDCSMEG-MNOVXSKESA-N 1 1 312.370 -1.972 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC001348699229 917966655 /nfs/dbraw/zinc/96/66/55/917966655.db2.gz ATIFLDFGDCSMEG-MNOVXSKESA-N 1 1 312.370 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C[C@H](C)NC(N)=O ZINC001348982118 917985460 /nfs/dbraw/zinc/98/54/60/917985460.db2.gz RCLBAMCBUOXSRI-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001349030877 917986347 /nfs/dbraw/zinc/98/63/47/917986347.db2.gz HLRKLPZFVCFCTH-JTQLQIEISA-N 1 1 308.342 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001349028344 917988111 /nfs/dbraw/zinc/98/81/11/917988111.db2.gz AHICIJWNLSSZHU-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001349050139 917989715 /nfs/dbraw/zinc/98/97/15/917989715.db2.gz VMSQUVRQETUSKR-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001349050138 917990210 /nfs/dbraw/zinc/99/02/10/917990210.db2.gz VMSQUVRQETUSKR-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1C ZINC001349109087 917994962 /nfs/dbraw/zinc/99/49/62/917994962.db2.gz HWCZJDCHTFMNFA-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349173568 917998009 /nfs/dbraw/zinc/99/80/09/917998009.db2.gz HRYBDUDZWGKHMG-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@@H+](CC(=O)NCCNC(=O)C1CC(=O)NC(=O)C1)C1CCC1 ZINC001349201241 918001532 /nfs/dbraw/zinc/00/15/32/918001532.db2.gz STGGJFPJFQZARS-UHFFFAOYSA-N 1 1 324.381 -1.244 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)C1 ZINC001349327709 918010444 /nfs/dbraw/zinc/01/04/44/918010444.db2.gz RXOROVBXYMCIPB-UHFFFAOYSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001349301832 918011118 /nfs/dbraw/zinc/01/11/18/918011118.db2.gz OIVXMNHHNUIDBT-NXEZZACHSA-N 1 1 307.358 -1.621 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001349457456 918020575 /nfs/dbraw/zinc/02/05/75/918020575.db2.gz DFOIYMFNMMDKBE-UHFFFAOYSA-N 1 1 311.342 -2.182 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CN1CN=NC1=O ZINC001349818339 918038781 /nfs/dbraw/zinc/03/87/81/918038781.db2.gz PVKNUFKLJLBQCM-JTQLQIEISA-N 1 1 310.358 -1.300 20 0 DAADMO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001349863339 918040758 /nfs/dbraw/zinc/04/07/58/918040758.db2.gz GBRNBSVWGRKLEP-FRRDWIJNSA-N 1 1 310.398 -1.668 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001349856883 918041977 /nfs/dbraw/zinc/04/19/77/918041977.db2.gz UVLNYDGWLKVDQD-ZJUUUORDSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001349856883 918041994 /nfs/dbraw/zinc/04/19/94/918041994.db2.gz UVLNYDGWLKVDQD-ZJUUUORDSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001349856882 918042521 /nfs/dbraw/zinc/04/25/21/918042521.db2.gz UVLNYDGWLKVDQD-VHSXEESVSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001349856882 918042534 /nfs/dbraw/zinc/04/25/34/918042534.db2.gz UVLNYDGWLKVDQD-VHSXEESVSA-N 1 1 313.358 -2.379 20 0 DAADMO Cn1cc(C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n(C)c1=O ZINC001350069755 918048245 /nfs/dbraw/zinc/04/82/45/918048245.db2.gz QHDHSGCWMOTVIF-NSHDSACASA-N 1 1 323.397 -1.088 20 0 DAADMO C[N@@H+](CC(=O)NCCCNC(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC001350194475 918051532 /nfs/dbraw/zinc/05/15/32/918051532.db2.gz YCARULQXCBDKMP-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO Cn1nnc(C(=O)NCCCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001350193269 918052712 /nfs/dbraw/zinc/05/27/12/918052712.db2.gz DDZAJAXUSLRSNZ-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)c2nnn(C)n2)C1 ZINC001350364391 918060028 /nfs/dbraw/zinc/06/00/28/918060028.db2.gz SCCLDXGMYQBCCK-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001350405218 918063229 /nfs/dbraw/zinc/06/32/29/918063229.db2.gz LCMHKJVQFLRWRY-LBPRGKRZSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001350535828 918065914 /nfs/dbraw/zinc/06/59/14/918065914.db2.gz PIISOPMFKKYIPG-GMTAPVOTSA-N 1 1 317.411 -1.111 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001350535828 918065933 /nfs/dbraw/zinc/06/59/33/918065933.db2.gz PIISOPMFKKYIPG-GMTAPVOTSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC001350823359 918074591 /nfs/dbraw/zinc/07/45/91/918074591.db2.gz RLXUBGBTSFONSS-JQWIXIFHSA-N 1 1 324.385 -1.391 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001350823359 918074596 /nfs/dbraw/zinc/07/45/96/918074596.db2.gz RLXUBGBTSFONSS-JQWIXIFHSA-N 1 1 324.385 -1.391 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CCN2C(=O)CCC2=O)CC1 ZINC001350869041 918075215 /nfs/dbraw/zinc/07/52/15/918075215.db2.gz XYRXYLXZHDVRKZ-UHFFFAOYSA-N 1 1 310.354 -1.584 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001350858197 918076190 /nfs/dbraw/zinc/07/61/90/918076190.db2.gz YADUXVSPNNPWCD-LBPRGKRZSA-N 1 1 302.371 -1.321 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001350858197 918076207 /nfs/dbraw/zinc/07/62/07/918076207.db2.gz YADUXVSPNNPWCD-LBPRGKRZSA-N 1 1 302.371 -1.321 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCNC1=O ZINC001351015037 918081809 /nfs/dbraw/zinc/08/18/09/918081809.db2.gz JIXKNMDQRROBCS-TUKIKUTGSA-N 1 1 311.382 -1.146 20 0 DAADMO COCCOC[C@@H](O)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC001351372310 918088241 /nfs/dbraw/zinc/08/82/41/918088241.db2.gz KODSHSMDRAPADM-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001351550995 918094680 /nfs/dbraw/zinc/09/46/80/918094680.db2.gz JXWOSLUQXOTJSY-IUCAKERBSA-N 1 1 307.372 -2.360 20 0 DAADMO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001351509725 918095329 /nfs/dbraw/zinc/09/53/29/918095329.db2.gz LGCNRTXRTUQKSH-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCNC(=O)C3)C2)C1 ZINC001352176454 918118890 /nfs/dbraw/zinc/11/88/90/918118890.db2.gz VPHKHOXKTKXCMT-HNNXBMFYSA-N 1 1 308.382 -1.111 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCNC(=O)C1 ZINC001352428051 918120842 /nfs/dbraw/zinc/12/08/42/918120842.db2.gz MMOWXDXTIUKBKN-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO NC(=O)CC(=O)NCCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001352650642 918123306 /nfs/dbraw/zinc/12/33/06/918123306.db2.gz IZZHXQUZLRVXEW-UHFFFAOYSA-N 1 1 313.358 -2.612 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001352797687 918129073 /nfs/dbraw/zinc/12/90/73/918129073.db2.gz LCYSQSNHVRSVPX-ZIAGYGMSSA-N 1 1 324.425 -1.006 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001352797687 918129082 /nfs/dbraw/zinc/12/90/82/918129082.db2.gz LCYSQSNHVRSVPX-ZIAGYGMSSA-N 1 1 324.425 -1.006 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)/C=C/CN2CCOCC2)CC1 ZINC001353203196 918146859 /nfs/dbraw/zinc/14/68/59/918146859.db2.gz CASPESNILMBPSA-NSCUHMNNSA-N 1 1 310.398 -1.235 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC001353367473 918151445 /nfs/dbraw/zinc/15/14/45/918151445.db2.gz OUXMAVJZLVQWHV-LLVKDONJSA-N 1 1 322.369 -1.066 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)[C@H]1CNCCS1(=O)=O ZINC001353571488 918154072 /nfs/dbraw/zinc/15/40/72/918154072.db2.gz QABYXBBPFVLXQV-LLVKDONJSA-N 1 1 307.416 -1.543 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CNCCS1(=O)=O ZINC001353571488 918154079 /nfs/dbraw/zinc/15/40/79/918154079.db2.gz QABYXBBPFVLXQV-LLVKDONJSA-N 1 1 307.416 -1.543 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(CN3CC[NH+](C)CC3)C2)C1=O ZINC001354019307 918162320 /nfs/dbraw/zinc/16/23/20/918162320.db2.gz LACGUANAIVKBQC-CYBMUJFWSA-N 1 1 310.398 -1.451 20 0 DAADMO C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001353883943 918162791 /nfs/dbraw/zinc/16/27/91/918162791.db2.gz PTKXFISFUZNLBX-NEPJUHHUSA-N 1 1 323.397 -1.323 20 0 DAADMO C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001353883945 918163611 /nfs/dbraw/zinc/16/36/11/918163611.db2.gz PTKXFISFUZNLBX-RYUDHWBXSA-N 1 1 323.397 -1.323 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317820 918174273 /nfs/dbraw/zinc/17/42/73/918174273.db2.gz DQNYNTRRPZKCPO-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317820 918174280 /nfs/dbraw/zinc/17/42/80/918174280.db2.gz DQNYNTRRPZKCPO-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001354388230 918176665 /nfs/dbraw/zinc/17/66/65/918176665.db2.gz WBUGBHQUJHNFGI-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001354469035 918178826 /nfs/dbraw/zinc/17/88/26/918178826.db2.gz KVSRAAPKCGBWKE-RWMBFGLXSA-N 1 1 312.414 -1.016 20 0 DAADMO O=C(NCC[C@H]1CNC(=O)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001354559986 918182722 /nfs/dbraw/zinc/18/27/22/918182722.db2.gz XFBCSZWQWNBDOU-GHMZBOCLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC001354749510 918189386 /nfs/dbraw/zinc/18/93/86/918189386.db2.gz FGYGSVHOBZXRNA-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001354749510 918189400 /nfs/dbraw/zinc/18/94/00/918189400.db2.gz FGYGSVHOBZXRNA-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@H]1C[N@H+](C)CCO1 ZINC001354749504 918189428 /nfs/dbraw/zinc/18/94/28/918189428.db2.gz FGYGSVHOBZXRNA-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC001354749504 918189436 /nfs/dbraw/zinc/18/94/36/918189436.db2.gz FGYGSVHOBZXRNA-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354751800 918190281 /nfs/dbraw/zinc/19/02/81/918190281.db2.gz QOVGHKHYQPJXIF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354751800 918190289 /nfs/dbraw/zinc/19/02/89/918190289.db2.gz QOVGHKHYQPJXIF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354915561 918193119 /nfs/dbraw/zinc/19/31/19/918193119.db2.gz RATVJBCTKDWULK-MXWKQRLJSA-N 1 1 313.354 -1.811 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354915561 918193124 /nfs/dbraw/zinc/19/31/24/918193124.db2.gz RATVJBCTKDWULK-MXWKQRLJSA-N 1 1 313.354 -1.811 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001354974875 918197342 /nfs/dbraw/zinc/19/73/42/918197342.db2.gz STOQSIHXICKEPA-JTQLQIEISA-N 1 1 310.354 -1.681 20 0 DAADMO COC1(OC)CCN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1O ZINC001355293480 918201184 /nfs/dbraw/zinc/20/11/84/918201184.db2.gz YKFKNIULEBGHOD-GFCCVEGCSA-N 1 1 301.387 -1.184 20 0 DAADMO COC1(OC)CCN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1O ZINC001355293483 918202213 /nfs/dbraw/zinc/20/22/13/918202213.db2.gz YKFKNIULEBGHOD-LBPRGKRZSA-N 1 1 301.387 -1.184 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001355741962 918208708 /nfs/dbraw/zinc/20/87/08/918208708.db2.gz AKSKAOMERQNHTA-QWRGUYRKSA-N 1 1 324.381 -1.435 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CC(N)=O ZINC001355750655 918209377 /nfs/dbraw/zinc/20/93/77/918209377.db2.gz HEPAQQKZWJXTNE-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001355741963 918209945 /nfs/dbraw/zinc/20/99/45/918209945.db2.gz AKSKAOMERQNHTA-WDEREUQCSA-N 1 1 324.381 -1.435 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001356629853 918231160 /nfs/dbraw/zinc/23/11/60/918231160.db2.gz SRCHHTXNFYTQLD-CQSZACIVSA-N 1 1 312.462 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001356752176 918240454 /nfs/dbraw/zinc/24/04/54/918240454.db2.gz AFOFBTFDJIZOLH-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001356752176 918240473 /nfs/dbraw/zinc/24/04/73/918240473.db2.gz AFOFBTFDJIZOLH-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C(=O)NCC(F)F)C2)C1 ZINC001356773799 918243518 /nfs/dbraw/zinc/24/35/18/918243518.db2.gz GQFONWQWFVEDKP-QMMMGPOBSA-N 1 1 318.324 -1.354 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001357377017 918281171 /nfs/dbraw/zinc/28/11/71/918281171.db2.gz VCIVBFJLUUZXFL-ZDUSSCGKSA-N 1 1 324.381 -1.131 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357398704 918283504 /nfs/dbraw/zinc/28/35/04/918283504.db2.gz CZCAFLVMOOVKRQ-ZJUUUORDSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357400535 918285275 /nfs/dbraw/zinc/28/52/75/918285275.db2.gz UFWNXXMYOUYZAF-MNOVXSKESA-N 1 1 314.386 -1.671 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001357698443 918302733 /nfs/dbraw/zinc/30/27/33/918302733.db2.gz ZBBGPIALHAEGBF-XOULXFPDSA-N 1 1 323.357 -2.057 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001357698443 918302756 /nfs/dbraw/zinc/30/27/56/918302756.db2.gz ZBBGPIALHAEGBF-XOULXFPDSA-N 1 1 323.357 -2.057 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696384 918304456 /nfs/dbraw/zinc/30/44/56/918304456.db2.gz OCGFWQBVEMTZRG-OTDNITJGSA-N 1 1 322.369 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696384 918304469 /nfs/dbraw/zinc/30/44/69/918304469.db2.gz OCGFWQBVEMTZRG-OTDNITJGSA-N 1 1 322.369 -1.534 20 0 DAADMO CN1CCN(C)CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001358444244 918322421 /nfs/dbraw/zinc/32/24/21/918322421.db2.gz JVCRECONMAZTDI-CYBMUJFWSA-N 1 1 323.441 -1.488 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001358635665 918336059 /nfs/dbraw/zinc/33/60/59/918336059.db2.gz KHFQAVZUBWCUJA-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCNC(=O)CO)CC1 ZINC001361627286 918385348 /nfs/dbraw/zinc/38/53/48/918385348.db2.gz LEMDKQRZPYSBCM-UHFFFAOYSA-N 1 1 300.359 -2.188 20 0 DAADMO NC(=O)NCCC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001361713493 918394515 /nfs/dbraw/zinc/39/45/15/918394515.db2.gz SUAYGTSOHRYGNE-NSHDSACASA-N 1 1 311.386 -1.015 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2cc(C(C)=O)nn2)CC1 ZINC001361762300 918402093 /nfs/dbraw/zinc/40/20/93/918402093.db2.gz GNDSXJQPKYGCKZ-UHFFFAOYSA-N 1 1 322.369 -1.193 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCCN(CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793465 918407522 /nfs/dbraw/zinc/40/75/22/918407522.db2.gz JBZAIHHVCUERMU-YNEHKIRRSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001361937608 918427081 /nfs/dbraw/zinc/42/70/81/918427081.db2.gz QROKJVHWZWHCEN-GRYCIOLGSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001361937610 918428888 /nfs/dbraw/zinc/42/88/88/918428888.db2.gz QROKJVHWZWHCEN-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001361945444 918430661 /nfs/dbraw/zinc/43/06/61/918430661.db2.gz LYDMABGYXGZPJL-VIFPVBQESA-N 1 1 323.353 -1.352 20 0 DAADMO CC1=C(C(=O)NC[C@H]2C[N@H+](C)CCN2C)Cn2nnnc2N1C ZINC001361966076 918434231 /nfs/dbraw/zinc/43/42/31/918434231.db2.gz ZRQRHFUIMYDVPI-NSHDSACASA-N 1 1 320.401 -1.241 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001361983609 918436597 /nfs/dbraw/zinc/43/65/97/918436597.db2.gz UUKNJJIHUCDADC-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001361983609 918436610 /nfs/dbraw/zinc/43/66/10/918436610.db2.gz UUKNJJIHUCDADC-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001361983609 918436617 /nfs/dbraw/zinc/43/66/17/918436617.db2.gz UUKNJJIHUCDADC-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[NH+]1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001362015134 918438813 /nfs/dbraw/zinc/43/88/13/918438813.db2.gz SJFZWUSDPJEQHX-UHFFFAOYSA-N 1 1 309.326 -1.788 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362028767 918441797 /nfs/dbraw/zinc/44/17/97/918441797.db2.gz IBDPGLTYMQZDNO-VIFPVBQESA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001362041773 918444865 /nfs/dbraw/zinc/44/48/65/918444865.db2.gz UNAOPRKKNBVABM-JOYOIKCWSA-N 1 1 305.400 -1.279 20 0 DAADMO CC(=O)c1cn(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001362061736 918450373 /nfs/dbraw/zinc/45/03/73/918450373.db2.gz LXPROEJVRKUWRA-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362060171 918450608 /nfs/dbraw/zinc/45/06/08/918450608.db2.gz BXRLIPQGVXBJBT-JTQLQIEISA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001362059875 918451469 /nfs/dbraw/zinc/45/14/69/918451469.db2.gz QROKJVHWZWHCEN-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2nnc(N)s2)CC1 ZINC001362086141 918453592 /nfs/dbraw/zinc/45/35/92/918453592.db2.gz BDAOAOREQBWVEG-UHFFFAOYSA-N 1 1 312.399 -1.057 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001362086231 918455752 /nfs/dbraw/zinc/45/57/52/918455752.db2.gz IKIXKWMUMAHIKN-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001362086231 918455757 /nfs/dbraw/zinc/45/57/57/918455757.db2.gz IKIXKWMUMAHIKN-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001362098735 918459338 /nfs/dbraw/zinc/45/93/38/918459338.db2.gz IYGOVPYRRUPKEL-NSHDSACASA-N 1 1 321.385 -1.199 20 0 DAADMO C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001362128984 918463198 /nfs/dbraw/zinc/46/31/98/918463198.db2.gz OVFUURZFLIQZHE-YUMQZZPRSA-N 1 1 310.358 -1.166 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001362137034 918463965 /nfs/dbraw/zinc/46/39/65/918463965.db2.gz IVBLCSUPGXYNON-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001362144810 918466322 /nfs/dbraw/zinc/46/63/22/918466322.db2.gz GINLVRCBSGPWRY-WDEREUQCSA-N 1 1 324.389 -2.460 20 0 DAADMO Nc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001362146017 918467125 /nfs/dbraw/zinc/46/71/25/918467125.db2.gz XNQOWTPSASKDII-CYBMUJFWSA-N 1 1 322.413 -1.012 20 0 DAADMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn(C(F)(F)CO)nn1 ZINC001362144929 918467480 /nfs/dbraw/zinc/46/74/80/918467480.db2.gz GJXRLWFOBFPPMW-VIFPVBQESA-N 1 1 318.328 -1.205 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cn(C(F)(F)CO)nn1 ZINC001362144929 918467490 /nfs/dbraw/zinc/46/74/90/918467490.db2.gz GJXRLWFOBFPPMW-VIFPVBQESA-N 1 1 318.328 -1.205 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001362144808 918467514 /nfs/dbraw/zinc/46/75/14/918467514.db2.gz GINLVRCBSGPWRY-QWRGUYRKSA-N 1 1 324.389 -2.460 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001362139928 918468010 /nfs/dbraw/zinc/46/80/10/918468010.db2.gz NGTKOLJWULMINX-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO COC(=O)Cc1nc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)n[nH]1 ZINC001362163850 918469633 /nfs/dbraw/zinc/46/96/33/918469633.db2.gz WNSHGINYCBVJGV-DTWKUNHWSA-N 1 1 308.342 -1.153 20 0 DAADMO COC(=O)Cc1nc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)n[nH]1 ZINC001362163855 918470282 /nfs/dbraw/zinc/47/02/82/918470282.db2.gz WNSHGINYCBVJGV-RKDXNWHRSA-N 1 1 308.342 -1.153 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H](CO)NC(N)=O ZINC001362189316 918474537 /nfs/dbraw/zinc/47/45/37/918474537.db2.gz MOVZXVXKYSOVFJ-LLVKDONJSA-N 1 1 301.391 -1.889 20 0 DAADMO C[NH+](C)CCN(C(=O)Cn1ncnn1)[C@@H]1CCS(=O)(=O)C1 ZINC001362204316 918476278 /nfs/dbraw/zinc/47/62/78/918476278.db2.gz LRMVMCJPFDLDRR-SNVBAGLBSA-N 1 1 316.387 -1.750 20 0 DAADMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N(CC(N)=O)CC(N)=O)n[nH]1 ZINC001362219067 918478473 /nfs/dbraw/zinc/47/84/73/918478473.db2.gz JFRQECUAASPODY-JTQLQIEISA-N 1 1 308.342 -1.411 20 0 DAADMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N(CC(N)=O)CC(N)=O)n[nH]1 ZINC001362219067 918478474 /nfs/dbraw/zinc/47/84/74/918478474.db2.gz JFRQECUAASPODY-JTQLQIEISA-N 1 1 308.342 -1.411 20 0 DAADMO C[N@H+](CCc1ccccc1)CC(=O)N(CC(N)=O)CC(N)=O ZINC001362222278 918480993 /nfs/dbraw/zinc/48/09/93/918480993.db2.gz TVCDWMYGJNESAZ-UHFFFAOYSA-N 1 1 306.366 -1.040 20 0 DAADMO C[N@@H+](CCc1ccccc1)CC(=O)N(CC(N)=O)CC(N)=O ZINC001362222278 918480999 /nfs/dbraw/zinc/48/09/99/918480999.db2.gz TVCDWMYGJNESAZ-UHFFFAOYSA-N 1 1 306.366 -1.040 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001362233128 918483651 /nfs/dbraw/zinc/48/36/51/918483651.db2.gz DXOCRZHRNUGRGB-GMTAPVOTSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001362268093 918487826 /nfs/dbraw/zinc/48/78/26/918487826.db2.gz IVBLCSUPGXYNON-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001362268096 918488526 /nfs/dbraw/zinc/48/85/26/918488526.db2.gz IVBLCSUPGXYNON-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001362363862 918505200 /nfs/dbraw/zinc/50/52/00/918505200.db2.gz DTAMKODUOCTJBQ-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC001362363822 918506338 /nfs/dbraw/zinc/50/63/38/918506338.db2.gz DTAMKODUOCTJBQ-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[NH+](C)[C@]1(C(=O)NC[C@@H](O)C(N)=O)COc2ccccc2C1 ZINC001362414380 918516867 /nfs/dbraw/zinc/51/68/67/918516867.db2.gz TYXSPWCPNHLHLW-ABAIWWIYSA-N 1 1 307.350 -1.116 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001362445220 918522004 /nfs/dbraw/zinc/52/20/04/918522004.db2.gz KZJKGUFQGNDPNG-SKDRFNHKSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001362456974 918524485 /nfs/dbraw/zinc/52/44/85/918524485.db2.gz ZVOUDMUXBBTWMQ-STQMWFEESA-N 1 1 320.411 -1.501 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)nn1 ZINC001362456508 918524558 /nfs/dbraw/zinc/52/45/58/918524558.db2.gz CVMBXUXPMZSTIW-IINYFYTJSA-N 1 1 323.353 -1.097 20 0 DAADMO C[N@@H+]1CC[C@](O)(CNC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001362456090 918525213 /nfs/dbraw/zinc/52/52/13/918525213.db2.gz RBTFWWVZHVCUAK-LBPRGKRZSA-N 1 1 320.411 -1.237 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001362456090 918525223 /nfs/dbraw/zinc/52/52/23/918525223.db2.gz RBTFWWVZHVCUAK-LBPRGKRZSA-N 1 1 320.411 -1.237 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001362456973 918525358 /nfs/dbraw/zinc/52/53/58/918525358.db2.gz ZVOUDMUXBBTWMQ-QWHCGFSZSA-N 1 1 320.411 -1.501 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001362473023 918529896 /nfs/dbraw/zinc/52/98/96/918529896.db2.gz ZAWCBIYSQRHNMT-YEJSDXFRSA-N 1 1 321.385 -1.081 20 0 DAADMO CC1(C)CN(C(=O)CCCS(N)(=O)=O)CC[N@H+]1CCO ZINC001362498595 918533350 /nfs/dbraw/zinc/53/33/50/918533350.db2.gz LOAKPIQSUBXKNW-UHFFFAOYSA-N 1 1 307.416 -1.030 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)[C@@H]1CCC[C@H]1O ZINC001362512755 918535686 /nfs/dbraw/zinc/53/56/86/918535686.db2.gz GQWPBVKQBKADBU-FDYHWXHSSA-N 1 1 311.382 -1.053 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001362510829 918536078 /nfs/dbraw/zinc/53/60/78/918536078.db2.gz QZQUBGZTDHSDDX-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362521871 918538030 /nfs/dbraw/zinc/53/80/30/918538030.db2.gz LOSOYSHEGNITJG-RYUDHWBXSA-N 1 1 309.370 -1.001 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)C1 ZINC001362561452 918548706 /nfs/dbraw/zinc/54/87/06/918548706.db2.gz MBVYEVHRVNRQLU-CYBMUJFWSA-N 1 1 324.385 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)C1 ZINC001362561452 918548719 /nfs/dbraw/zinc/54/87/19/918548719.db2.gz MBVYEVHRVNRQLU-CYBMUJFWSA-N 1 1 324.385 -1.144 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)nn1 ZINC001362636658 918565068 /nfs/dbraw/zinc/56/50/68/918565068.db2.gz BLYPUBCZYDDTBG-UHFFFAOYSA-N 1 1 308.342 -1.832 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001362680972 918574999 /nfs/dbraw/zinc/57/49/99/918574999.db2.gz ZDBKUGFQMIDUPO-UHFFFAOYSA-N 1 1 317.371 -1.491 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC001362680972 918575011 /nfs/dbraw/zinc/57/50/11/918575011.db2.gz ZDBKUGFQMIDUPO-UHFFFAOYSA-N 1 1 317.371 -1.491 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001362715968 918586548 /nfs/dbraw/zinc/58/65/48/918586548.db2.gz YGOOUVSUQALMIL-SNVBAGLBSA-N 1 1 306.388 -1.899 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001362715968 918586559 /nfs/dbraw/zinc/58/65/59/918586559.db2.gz YGOOUVSUQALMIL-SNVBAGLBSA-N 1 1 306.388 -1.899 20 0 DAADMO NC(=O)CN1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1=O ZINC001362716307 918587459 /nfs/dbraw/zinc/58/74/59/918587459.db2.gz MOLNVBSRBKZINA-SNVBAGLBSA-N 1 1 300.334 -1.424 20 0 DAADMO NC(=O)CN1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1=O ZINC001362716306 918587596 /nfs/dbraw/zinc/58/75/96/918587596.db2.gz MOLNVBSRBKZINA-JTQLQIEISA-N 1 1 300.334 -1.424 20 0 DAADMO C[C@H](O)c1cn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001362732570 918591719 /nfs/dbraw/zinc/59/17/19/918591719.db2.gz WBDASGNHSUCGHE-VIFPVBQESA-N 1 1 310.358 -1.603 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001362755203 918598594 /nfs/dbraw/zinc/59/85/94/918598594.db2.gz DZMVDIOWLNYUSZ-MVIRXUPPSA-N 1 1 310.350 -1.110 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362772198 918600963 /nfs/dbraw/zinc/60/09/63/918600963.db2.gz GTXZMSATHUAABR-YGRLFVJLSA-N 1 1 311.338 -1.135 20 0 DAADMO O=C(C[C@@H]1CCCS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362771381 918601105 /nfs/dbraw/zinc/60/11/05/918601105.db2.gz CVOJAOOHFNNXRQ-WCQYABFASA-N 1 1 320.411 -1.332 20 0 DAADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362771525 918601767 /nfs/dbraw/zinc/60/17/67/918601767.db2.gz BYELFKDTZVEEAI-SNVBAGLBSA-N 1 1 310.358 -1.466 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362773266 918602307 /nfs/dbraw/zinc/60/23/07/918602307.db2.gz IWULECJFTJYTRF-CMPLNLGQSA-N 1 1 306.384 -1.579 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001362774745 918603838 /nfs/dbraw/zinc/60/38/38/918603838.db2.gz LDPKTQLAEVRZHM-AWEZNQCLSA-N 1 1 308.338 -1.478 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001362783426 918603944 /nfs/dbraw/zinc/60/39/44/918603944.db2.gz VMCUFWJWCPYFRD-YNEHKIRRSA-N 1 1 313.398 -1.117 20 0 DAADMO COC(=O)N1CCC(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001362776241 918604578 /nfs/dbraw/zinc/60/45/78/918604578.db2.gz PIESSTSXVNUASR-AWEZNQCLSA-N 1 1 315.370 -1.068 20 0 DAADMO C[C@@]1(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CCS(=O)(=O)N1 ZINC001362775087 918605456 /nfs/dbraw/zinc/60/54/56/918605456.db2.gz MTAPRMTYPNRBDX-RYUDHWBXSA-N 1 1 321.399 -2.075 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](C)C1 ZINC001362784288 918605478 /nfs/dbraw/zinc/60/54/78/918605478.db2.gz HIQWLHYLFCLQDK-GARJFASQSA-N 1 1 313.354 -1.418 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+](C)C1 ZINC001362784288 918605488 /nfs/dbraw/zinc/60/54/88/918605488.db2.gz HIQWLHYLFCLQDK-GARJFASQSA-N 1 1 313.354 -1.418 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1CC2(C1)CS(=O)(=O)C2 ZINC001362777207 918605592 /nfs/dbraw/zinc/60/55/92/918605592.db2.gz PVKVXNKFFNJLCK-ZDUSSCGKSA-N 1 1 318.395 -1.722 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362777327 918605631 /nfs/dbraw/zinc/60/56/31/918605631.db2.gz QLAZZIWFQGFVMK-GWCFXTLKSA-N 1 1 303.359 -2.413 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362848457 918625630 /nfs/dbraw/zinc/62/56/30/918625630.db2.gz NWKHFIKUYYEREU-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362872913 918632168 /nfs/dbraw/zinc/63/21/68/918632168.db2.gz KUUULYOOSCSGSS-QWRGUYRKSA-N 1 1 305.400 -1.277 20 0 DAADMO CCc1[nH+]ccn1CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001362879258 918632453 /nfs/dbraw/zinc/63/24/53/918632453.db2.gz KBARLNBYZFVERF-JTQLQIEISA-N 1 1 320.357 -1.247 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCS(N)(=O)=O ZINC001362901161 918637007 /nfs/dbraw/zinc/63/70/07/918637007.db2.gz HZASOMQBZDVXJA-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)[C@@H](C)C[N@H+]1CCO ZINC001362901157 918637290 /nfs/dbraw/zinc/63/72/90/918637290.db2.gz HZASOMQBZDVXJA-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO C[N@@H+](CC(=O)N1CC2(C1)C[C@@H](O)CNC2=O)[C@@H]1CCC[C@H]1O ZINC001362898420 918637384 /nfs/dbraw/zinc/63/73/84/918637384.db2.gz LWPZLZXSRNZESG-IJLUTSLNSA-N 1 1 311.382 -1.459 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H](O)c2cnc[nH]2)CC1=O ZINC001362902459 918637409 /nfs/dbraw/zinc/63/74/09/918637409.db2.gz SDMFLUMXHWWXBR-PWSUYJOCSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)[C@@H](C)C[N@H+]1CCO ZINC001362904122 918640156 /nfs/dbraw/zinc/64/01/56/918640156.db2.gz NELZLCWTYTXXKS-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001362949178 918651249 /nfs/dbraw/zinc/65/12/49/918651249.db2.gz AGPZZZWSJIOLHV-SECBINFHSA-N 1 1 312.330 -1.960 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCO)o1 ZINC001362954825 918654463 /nfs/dbraw/zinc/65/44/63/918654463.db2.gz LMVBTLSOJPVABO-UHFFFAOYSA-N 1 1 305.356 -1.158 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001362976391 918659747 /nfs/dbraw/zinc/65/97/47/918659747.db2.gz HIJZWSTUTCXTCG-SECBINFHSA-N 1 1 323.353 -1.352 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)CC2 ZINC001363046674 918676267 /nfs/dbraw/zinc/67/62/67/918676267.db2.gz JQAPOCHOJANIFU-ZMLRMANQSA-N 1 1 319.365 -1.201 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)CC2 ZINC001363046670 918677893 /nfs/dbraw/zinc/67/78/93/918677893.db2.gz JQAPOCHOJANIFU-JLLWLGSASA-N 1 1 319.365 -1.201 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)CSCC(N)=O)C2)CC1 ZINC001363068137 918685571 /nfs/dbraw/zinc/68/55/71/918685571.db2.gz QCAIFYAFBONOBU-UHFFFAOYSA-N 1 1 300.428 -1.089 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC(C[NH+]2CCOCC2)C1)C(N)=O ZINC001363096858 918693406 /nfs/dbraw/zinc/69/34/06/918693406.db2.gz WZFAFBRTIBNYDX-LBPRGKRZSA-N 1 1 312.370 -1.843 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001363098103 918693630 /nfs/dbraw/zinc/69/36/30/918693630.db2.gz BTRUSJXUVHMZSZ-QWRGUYRKSA-N 1 1 300.359 -1.927 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001363125843 918700246 /nfs/dbraw/zinc/70/02/46/918700246.db2.gz JOINMGWCXRPVLF-NWDGAFQWSA-N 1 1 318.443 -1.193 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001363140773 918701944 /nfs/dbraw/zinc/70/19/44/918701944.db2.gz XGFNROYUKQHCBT-NSHDSACASA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001363149123 918706322 /nfs/dbraw/zinc/70/63/22/918706322.db2.gz YQJXERCAEZATSK-PWSUYJOCSA-N 1 1 314.386 -1.273 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001363153248 918709773 /nfs/dbraw/zinc/70/97/73/918709773.db2.gz BHHQBGFRSXHZLC-JGVFFNPUSA-N 1 1 309.326 -1.249 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(CO)COCC[NH2+]1)S(=O)(=O)C1CC1 ZINC001363177032 918713387 /nfs/dbraw/zinc/71/33/87/918713387.db2.gz OGLMTUQUHACSHR-CYBMUJFWSA-N 1 1 320.411 -1.191 20 0 DAADMO CS(=O)(=O)CC1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)COC1 ZINC001363180953 918714407 /nfs/dbraw/zinc/71/44/07/918714407.db2.gz XNUKIIRVWCORAK-GFCCVEGCSA-N 1 1 322.383 -2.485 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001363191837 918717541 /nfs/dbraw/zinc/71/75/41/918717541.db2.gz LHIALNCFFFEGLF-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO)CC2)cc1 ZINC001363202851 918720664 /nfs/dbraw/zinc/72/06/64/918720664.db2.gz UUSXBLSQGQVCCR-GFCCVEGCSA-N 1 1 315.395 -1.191 20 0 DAADMO CO[C@@H]1C[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1O ZINC001363234582 918730291 /nfs/dbraw/zinc/73/02/91/918730291.db2.gz AJRXKFXJZDYCCP-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1O ZINC001363234582 918730305 /nfs/dbraw/zinc/73/03/05/918730305.db2.gz AJRXKFXJZDYCCP-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCc1nnc2n1CCNC2=O ZINC001363250611 918734247 /nfs/dbraw/zinc/73/42/47/918734247.db2.gz XCGZSJLRRQOHEA-UHFFFAOYSA-N 1 1 308.342 -1.640 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCCS1(=O)=O ZINC001363264500 918740193 /nfs/dbraw/zinc/74/01/93/918740193.db2.gz BKPFWQBAXPQTEB-JQWIXIFHSA-N 1 1 306.384 -1.579 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cnc21 ZINC001363273869 918741553 /nfs/dbraw/zinc/74/15/53/918741553.db2.gz NNBOCFITIPOWPJ-ZDUSSCGKSA-N 1 1 306.326 -1.556 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(-n2cnnn2)cc1 ZINC001363275879 918745998 /nfs/dbraw/zinc/74/59/98/918745998.db2.gz YWJTZCWLPLFINF-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001363289700 918748878 /nfs/dbraw/zinc/74/88/78/918748878.db2.gz TVSILLULEOZUPF-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001363289700 918748893 /nfs/dbraw/zinc/74/88/93/918748893.db2.gz TVSILLULEOZUPF-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO NC(=O)C[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C1CCOCC1 ZINC001363291453 918749723 /nfs/dbraw/zinc/74/97/23/918749723.db2.gz ZOQCRWOHAZSPHM-JSGCOSHPSA-N 1 1 302.371 -1.145 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001363288785 918749965 /nfs/dbraw/zinc/74/99/65/918749965.db2.gz QFBMYIFVXUQHHH-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001363288785 918749978 /nfs/dbraw/zinc/74/99/78/918749978.db2.gz QFBMYIFVXUQHHH-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)OC ZINC001363329642 918762819 /nfs/dbraw/zinc/76/28/19/918762819.db2.gz JYWMEAFLCWUNMD-QWRGUYRKSA-N 1 1 308.400 -1.429 20 0 DAADMO CN(CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001363336028 918764228 /nfs/dbraw/zinc/76/42/28/918764228.db2.gz CUWWCFPYOALSDT-UHFFFAOYSA-N 1 1 318.443 -1.416 20 0 DAADMO C[C@H](C(=O)NC(C)(C)CNS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001363378585 918770675 /nfs/dbraw/zinc/77/06/75/918770675.db2.gz ZHCVIYGSROETEH-SNVBAGLBSA-N 1 1 321.447 -1.690 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001363383825 918772338 /nfs/dbraw/zinc/77/23/38/918772338.db2.gz FTFMRUYKQBFNSO-JMSVASOKSA-N 1 1 311.382 -1.051 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC[N@@H+](C)CCO ZINC001363400675 918775220 /nfs/dbraw/zinc/77/52/20/918775220.db2.gz IOTZXCGBMHLAGH-UHFFFAOYSA-N 1 1 304.372 -1.438 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC001363404785 918777044 /nfs/dbraw/zinc/77/70/44/918777044.db2.gz WMHKRWHDVOGZBO-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001363479274 918796090 /nfs/dbraw/zinc/79/60/90/918796090.db2.gz BEOFHDBPLWOPDQ-GHMZBOCLSA-N 1 1 305.400 -1.408 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1nnc2n1CCNC2=O ZINC001363492962 918801176 /nfs/dbraw/zinc/80/11/76/918801176.db2.gz LIBFIKYLLZGOIT-OTYXRUKQSA-N 1 1 322.369 -1.865 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1nnc2n1CCNC2=O ZINC001363492970 918803230 /nfs/dbraw/zinc/80/32/30/918803230.db2.gz LIBFIKYLLZGOIT-YMTOWFKASA-N 1 1 322.369 -1.865 20 0 DAADMO C[C@H](Sc1nncn1C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363522794 918812581 /nfs/dbraw/zinc/81/25/81/918812581.db2.gz CEDYMQCBLYUZJE-CABZTGNLSA-N 1 1 315.399 -1.237 20 0 DAADMO C[C@@H](Sc1nncn1C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363522790 918814028 /nfs/dbraw/zinc/81/40/28/918814028.db2.gz CEDYMQCBLYUZJE-BXKDBHETSA-N 1 1 315.399 -1.237 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363525559 918815259 /nfs/dbraw/zinc/81/52/59/918815259.db2.gz NLDARCZBWFHDPM-GXSJLCMTSA-N 1 1 309.388 -2.219 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363527272 918817057 /nfs/dbraw/zinc/81/70/57/918817057.db2.gz QPCWRDRWYAGEDB-ZYHUDNBSSA-N 1 1 306.384 -1.722 20 0 DAADMO NC(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC001363529429 918819170 /nfs/dbraw/zinc/81/91/70/918819170.db2.gz VBXKXQVZVUHMDH-AWEZNQCLSA-N 1 1 308.338 -1.810 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Cn1nnc2ccccc2c1=O ZINC001363586180 918835109 /nfs/dbraw/zinc/83/51/09/918835109.db2.gz YQTFFGZWLSEFQO-UHFFFAOYSA-N 1 1 305.338 -1.168 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363594468 918837895 /nfs/dbraw/zinc/83/78/95/918837895.db2.gz FBQDNLKXJGMONZ-CQSZACIVSA-N 1 1 309.370 -1.298 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001363596868 918839141 /nfs/dbraw/zinc/83/91/41/918839141.db2.gz JGQOKKZKVIEMLN-WZRBSPASSA-N 1 1 311.342 -1.945 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001363602617 918840395 /nfs/dbraw/zinc/84/03/95/918840395.db2.gz AXONINSCJVRHDM-QWRGUYRKSA-N 1 1 302.400 -1.311 20 0 DAADMO COC(=O)N(C)CCCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363598222 918841740 /nfs/dbraw/zinc/84/17/40/918841740.db2.gz LGMKBQAGCFTQPQ-ZDUSSCGKSA-N 1 1 303.359 -1.068 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)N1CC([NH2+]C2COC2)C1 ZINC001363649619 918850926 /nfs/dbraw/zinc/85/09/26/918850926.db2.gz UOLSZGGHPAKOCG-UHFFFAOYSA-N 1 1 303.384 -1.389 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001363653972 918851680 /nfs/dbraw/zinc/85/16/80/918851680.db2.gz JROINSOZYCVZQK-GHMZBOCLSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001363653977 918852570 /nfs/dbraw/zinc/85/25/70/918852570.db2.gz JROINSOZYCVZQK-MNOVXSKESA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001363653989 918852704 /nfs/dbraw/zinc/85/27/04/918852704.db2.gz JROINSOZYCVZQK-WDEREUQCSA-N 1 1 300.359 -1.615 20 0 DAADMO Cn1nc2c(c1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)COCC2 ZINC001363657574 918853110 /nfs/dbraw/zinc/85/31/10/918853110.db2.gz KBJHKJAGMCYVQY-DTORHVGOSA-N 1 1 307.354 -1.489 20 0 DAADMO C[C@@](Cn1cccn1)(NC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001363681932 918858388 /nfs/dbraw/zinc/85/83/88/918858388.db2.gz MZBANCNUJCAMLG-AWEZNQCLSA-N 1 1 309.370 -1.034 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363679196 918859069 /nfs/dbraw/zinc/85/90/69/918859069.db2.gz QPJXPROAUMDLQT-PWSUYJOCSA-N 1 1 304.416 -1.208 20 0 DAADMO CCn1cc(CNC(=O)CN2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001363735783 918868682 /nfs/dbraw/zinc/86/86/82/918868682.db2.gz KTUGECWBNGFQEG-UHFFFAOYSA-N 1 1 309.370 -1.168 20 0 DAADMO CC1(C)[C@H](NC(=O)[C@@H](CO)NC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC001363765427 918872996 /nfs/dbraw/zinc/87/29/96/918872996.db2.gz YLDWCOQDLQAPKQ-GMTAPVOTSA-N 1 1 314.386 -1.369 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363767667 918873455 /nfs/dbraw/zinc/87/34/55/918873455.db2.gz ALNRDPFEZGJVTH-WDMOLILDSA-N 1 1 321.385 -1.412 20 0 DAADMO CC1(C)[C@H](NC(=O)[C@H](CO)NC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001363765409 918874154 /nfs/dbraw/zinc/87/41/54/918874154.db2.gz YLDWCOQDLQAPKQ-AXFHLTTASA-N 1 1 314.386 -1.369 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363776811 918876895 /nfs/dbraw/zinc/87/68/95/918876895.db2.gz GFFPGZYUGFPIHT-WCQYABFASA-N 1 1 319.427 -1.030 20 0 DAADMO O=C(CC1(n2cnnn2)CCOCC1)N1CC([NH2+]C2COC2)C1 ZINC001363777707 918877180 /nfs/dbraw/zinc/87/71/80/918877180.db2.gz PYQFFKDHLPSJKY-UHFFFAOYSA-N 1 1 322.369 -1.232 20 0 DAADMO CN1CCN(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)CC1 ZINC001363779310 918877754 /nfs/dbraw/zinc/87/77/54/918877754.db2.gz GKZHANJHPNBYAZ-UHFFFAOYSA-N 1 1 306.432 -1.521 20 0 DAADMO O=C(c1cnn(C[C@@H](O)CO)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001363811140 918887348 /nfs/dbraw/zinc/88/73/48/918887348.db2.gz OFJADGSCXWLDCW-CHWSQXEVSA-N 1 1 310.354 -1.873 20 0 DAADMO O=C(c1cnn(C[C@@H](O)CO)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001363811140 918887366 /nfs/dbraw/zinc/88/73/66/918887366.db2.gz OFJADGSCXWLDCW-CHWSQXEVSA-N 1 1 310.354 -1.873 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC001363819047 918888736 /nfs/dbraw/zinc/88/87/36/918888736.db2.gz MGTOPJISMYCLMM-HUUCEWRRSA-N 1 1 308.334 -1.031 20 0 DAADMO C[C@H](C(=O)N[C@H](CO)CC1OCCO1)N1CC[NH+](C)CC1 ZINC001363814462 918888978 /nfs/dbraw/zinc/88/89/78/918888978.db2.gz HXLLORSWRBPBDY-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001363848071 918894275 /nfs/dbraw/zinc/89/42/75/918894275.db2.gz MTCQUTPADGGELP-MNOVXSKESA-N 1 1 320.415 -1.902 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3C[C@H](CO)[C@@H](CCO)C3)cc2=O)[nH]1 ZINC001363853990 918898441 /nfs/dbraw/zinc/89/84/41/918898441.db2.gz PSSXCKZRXIQDIO-DTWKUNHWSA-N 1 1 308.342 -1.578 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nn1 ZINC001363888030 918904062 /nfs/dbraw/zinc/90/40/62/918904062.db2.gz SKOQRZCRKMRIKV-RYUDHWBXSA-N 1 1 322.369 -1.565 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC001363975053 918915633 /nfs/dbraw/zinc/91/56/33/918915633.db2.gz MRVQIGSAYVYGSD-VXGBXAGGSA-N 1 1 322.369 -1.522 20 0 DAADMO C[C@H](O)c1cn(CC(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001363974972 918916127 /nfs/dbraw/zinc/91/61/27/918916127.db2.gz MJNFVDXJKKCAAD-JTQLQIEISA-N 1 1 310.358 -1.778 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001363978751 918919517 /nfs/dbraw/zinc/91/95/17/918919517.db2.gz SQZDJBYDOTXFIL-NQBHXWOUSA-N 1 1 313.354 -2.711 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364010585 918928696 /nfs/dbraw/zinc/92/86/96/918928696.db2.gz KUNSSRZYTPXXLM-RKDXNWHRSA-N 1 1 318.399 -2.071 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCc1nnc2c(=O)[nH]ccn12 ZINC001364024020 918931982 /nfs/dbraw/zinc/93/19/82/918931982.db2.gz HYRJHICCZFNTLE-UHFFFAOYSA-N 1 1 320.353 -1.201 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001364083599 918946260 /nfs/dbraw/zinc/94/62/60/918946260.db2.gz LMMYNYLDHDFNPU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001364106737 918949731 /nfs/dbraw/zinc/94/97/31/918949731.db2.gz HKDQUYWKKUFIDO-UHFFFAOYSA-N 1 1 312.414 -1.419 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001364189303 918960022 /nfs/dbraw/zinc/96/00/22/918960022.db2.gz JJGFPTGNKLXHBE-VIFPVBQESA-N 1 1 301.372 -1.259 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001364205783 918963736 /nfs/dbraw/zinc/96/37/36/918963736.db2.gz VETTWAQHHCXEIW-LLVKDONJSA-N 1 1 322.431 -1.366 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001364205783 918963744 /nfs/dbraw/zinc/96/37/44/918963744.db2.gz VETTWAQHHCXEIW-LLVKDONJSA-N 1 1 322.431 -1.366 20 0 DAADMO NC(=O)CN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001364207441 918965954 /nfs/dbraw/zinc/96/59/54/918965954.db2.gz KBSHJFCDDVAWON-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364211121 918966701 /nfs/dbraw/zinc/96/67/01/918966701.db2.gz JNUGUZDMNSRYET-ZJUUUORDSA-N 1 1 312.374 -1.838 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC001364358204 918995581 /nfs/dbraw/zinc/99/55/81/918995581.db2.gz NDRKEXIUUDHMHD-AVGNSLFASA-N 1 1 319.427 -1.304 20 0 DAADMO CO[C@@]1(C(=O)N2CC([NH2+]C3COC3)C2)CCS(=O)(=O)C1 ZINC001364364066 918998716 /nfs/dbraw/zinc/99/87/16/918998716.db2.gz KWHCXIOILJPFNW-LBPRGKRZSA-N 1 1 304.368 -1.611 20 0 DAADMO O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CC([NH2+]C2COC2)C1 ZINC001364364048 918998952 /nfs/dbraw/zinc/99/89/52/918998952.db2.gz KHPIBEUBGBTSEX-SNVBAGLBSA-N 1 1 322.325 -1.801 20 0 DAADMO CS(=O)(=O)N1CC(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC001364385983 919005368 /nfs/dbraw/zinc/00/53/68/919005368.db2.gz GFTRIMBIIDCXML-SNVBAGLBSA-N 1 1 311.429 -1.369 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC001364385983 919005378 /nfs/dbraw/zinc/00/53/78/919005378.db2.gz GFTRIMBIIDCXML-SNVBAGLBSA-N 1 1 311.429 -1.369 20 0 DAADMO Cn1c(N)c(C(=O)CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(=O)n(C)c1=O ZINC001364413113 919009082 /nfs/dbraw/zinc/00/90/82/919009082.db2.gz FBOCEIHEYQKJKS-ZJUUUORDSA-N 1 1 321.381 -1.515 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001364417636 919009429 /nfs/dbraw/zinc/00/94/29/919009429.db2.gz MRKPXGFZVGINKO-OLZOCXBDSA-N 1 1 311.382 -1.648 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364459934 919015395 /nfs/dbraw/zinc/01/53/95/919015395.db2.gz VWUZNUBEMZMBHS-FUTJPDQTSA-N 1 1 311.382 -1.160 20 0 DAADMO CSCC[C@H](NC(N)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471850 919017153 /nfs/dbraw/zinc/01/71/53/919017153.db2.gz PGCNAMJRQXIGBV-JOYOIKCWSA-N 1 1 320.415 -1.757 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1=CS(=O)(=O)CCC1 ZINC001364472492 919018507 /nfs/dbraw/zinc/01/85/07/919018507.db2.gz WEVZYAKBEFEDDV-LBPRGKRZSA-N 1 1 304.368 -1.454 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001364471918 919018801 /nfs/dbraw/zinc/01/88/01/919018801.db2.gz QTOJHARVHVNAOB-IINYFYTJSA-N 1 1 323.353 -1.770 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCCC1 ZINC001364471814 919019858 /nfs/dbraw/zinc/01/98/58/919019858.db2.gz PABUVTKGAQZMBP-GFCCVEGCSA-N 1 1 320.411 -1.189 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC001364477351 919020106 /nfs/dbraw/zinc/02/01/06/919020106.db2.gz XKIGTKJSPUGXTN-GHMZBOCLSA-N 1 1 300.359 -1.744 20 0 DAADMO CN(Cc1nnc2n1CCNC2=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001364494784 919023075 /nfs/dbraw/zinc/02/30/75/919023075.db2.gz QNMHOFRFFOEAKJ-NSHDSACASA-N 1 1 308.386 -1.092 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCN21 ZINC001364501458 919024657 /nfs/dbraw/zinc/02/46/57/919024657.db2.gz JAIYEQUELVWSSL-UTUOFQBUSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCN21 ZINC001364501458 919024673 /nfs/dbraw/zinc/02/46/73/919024673.db2.gz JAIYEQUELVWSSL-UTUOFQBUSA-N 1 1 321.399 -2.277 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001364507652 919024711 /nfs/dbraw/zinc/02/47/11/919024711.db2.gz WOUBBLHOTVCFCA-NXEZZACHSA-N 1 1 321.399 -1.465 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001364507652 919024727 /nfs/dbraw/zinc/02/47/27/919024727.db2.gz WOUBBLHOTVCFCA-NXEZZACHSA-N 1 1 321.399 -1.465 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001364507655 919024784 /nfs/dbraw/zinc/02/47/84/919024784.db2.gz WOUBBLHOTVCFCA-VHSXEESVSA-N 1 1 321.399 -1.465 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001364507655 919024800 /nfs/dbraw/zinc/02/48/00/919024800.db2.gz WOUBBLHOTVCFCA-VHSXEESVSA-N 1 1 321.399 -1.465 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001364503077 919025827 /nfs/dbraw/zinc/02/58/27/919025827.db2.gz IFPZRGNAAWMERR-AXFHLTTASA-N 1 1 318.395 -1.317 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001364515003 919025922 /nfs/dbraw/zinc/02/59/22/919025922.db2.gz CSNDGACQPLIRLL-SNVBAGLBSA-N 1 1 321.399 -1.382 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001364515003 919025937 /nfs/dbraw/zinc/02/59/37/919025937.db2.gz CSNDGACQPLIRLL-SNVBAGLBSA-N 1 1 321.399 -1.382 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC[N@H+]1C ZINC001364545567 919030698 /nfs/dbraw/zinc/03/06/98/919030698.db2.gz WRZKZNMCCHDVHC-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC001364543324 919031330 /nfs/dbraw/zinc/03/13/30/919031330.db2.gz MFQVEZRZTOHURI-RYUDHWBXSA-N 1 1 312.374 -1.341 20 0 DAADMO NC(=O)[C@H]1CC[C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)O1 ZINC001364562672 919033374 /nfs/dbraw/zinc/03/33/74/919033374.db2.gz ASMZNSUBIGSGEI-HBNTYKKESA-N 1 1 300.359 -1.615 20 0 DAADMO Cn1nncc1C1(O)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001364597369 919037155 /nfs/dbraw/zinc/03/71/55/919037155.db2.gz QKHGWTFPAQHEKY-GHMZBOCLSA-N 1 1 309.370 -1.310 20 0 DAADMO COCC(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001364643329 919045024 /nfs/dbraw/zinc/04/50/24/919045024.db2.gz LSSPITNHQIPNJX-UHFFFAOYSA-N 1 1 324.381 -1.875 20 0 DAADMO COCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001364643329 919045034 /nfs/dbraw/zinc/04/50/34/919045034.db2.gz LSSPITNHQIPNJX-UHFFFAOYSA-N 1 1 324.381 -1.875 20 0 DAADMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364665682 919048929 /nfs/dbraw/zinc/04/89/29/919048929.db2.gz RDAVLCOAZMNXHC-CYBMUJFWSA-N 1 1 313.358 -1.054 20 0 DAADMO C[C@@H]1CN(Cc2nnc3c(=O)n(C)ccn23)CC[N@H+]1CCO ZINC001364691434 919051536 /nfs/dbraw/zinc/05/15/36/919051536.db2.gz TVGUEJASGMFTDT-LLVKDONJSA-N 1 1 306.370 -1.074 20 0 DAADMO CN1CCn2c(CNC(=O)[C@H]3C[N@H+](C)CCO3)nnc2C1=O ZINC001364682622 919052628 /nfs/dbraw/zinc/05/26/28/919052628.db2.gz PXFXXPMEXJBJJP-SECBINFHSA-N 1 1 308.342 -1.690 20 0 DAADMO CN1CCn2c(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nnc2C1=O ZINC001364682622 919052636 /nfs/dbraw/zinc/05/26/36/919052636.db2.gz PXFXXPMEXJBJJP-SECBINFHSA-N 1 1 308.342 -1.690 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)N1CCC2(CC1)OCCO2 ZINC001364721655 919057559 /nfs/dbraw/zinc/05/75/59/919057559.db2.gz MTSGCPAPALPLNE-VXGBXAGGSA-N 1 1 300.355 -1.363 20 0 DAADMO CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364755232 919061973 /nfs/dbraw/zinc/06/19/73/919061973.db2.gz KESGWTUMTLHAIM-OCAPTIKFSA-N 1 1 324.303 -1.084 20 0 DAADMO CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364755232 919061989 /nfs/dbraw/zinc/06/19/89/919061989.db2.gz KESGWTUMTLHAIM-OCAPTIKFSA-N 1 1 324.303 -1.084 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)CCn1nc(C)oc1=O ZINC001364821123 919074737 /nfs/dbraw/zinc/07/47/37/919074737.db2.gz LXMZQKHNOPGQPM-UHFFFAOYSA-N 1 1 322.387 -1.358 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)CCn1nc(C)oc1=O ZINC001364821123 919074747 /nfs/dbraw/zinc/07/47/47/919074747.db2.gz LXMZQKHNOPGQPM-UHFFFAOYSA-N 1 1 322.387 -1.358 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC001364818298 919075265 /nfs/dbraw/zinc/07/52/65/919075265.db2.gz LSNYYSNFYIFELD-UONOGXRCSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC001364818298 919075280 /nfs/dbraw/zinc/07/52/80/919075280.db2.gz LSNYYSNFYIFELD-UONOGXRCSA-N 1 1 316.398 -1.732 20 0 DAADMO COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC001364830780 919077596 /nfs/dbraw/zinc/07/75/96/919077596.db2.gz PSOLIJYJLCJQJP-VXGBXAGGSA-N 1 1 322.427 -1.041 20 0 DAADMO Cc1ncc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+](C)CCO ZINC001364833891 919079248 /nfs/dbraw/zinc/07/92/48/919079248.db2.gz BWFGZADZBLSPET-UHFFFAOYSA-N 1 1 316.383 -1.309 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CCO)c1ncnc2nc[nH]c21 ZINC001364834321 919080424 /nfs/dbraw/zinc/08/04/24/919080424.db2.gz DIXDCSCXEKXPLL-UHFFFAOYSA-N 1 1 307.358 -1.171 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)CCO)c1ncnc2[nH]cnc21 ZINC001364834321 919080437 /nfs/dbraw/zinc/08/04/37/919080437.db2.gz DIXDCSCXEKXPLL-UHFFFAOYSA-N 1 1 307.358 -1.171 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CCO)c1ncnc2[nH]cnc21 ZINC001364834321 919080451 /nfs/dbraw/zinc/08/04/51/919080451.db2.gz DIXDCSCXEKXPLL-UHFFFAOYSA-N 1 1 307.358 -1.171 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001364869180 919085485 /nfs/dbraw/zinc/08/54/85/919085485.db2.gz NUGXECFLRGFWBG-SECBINFHSA-N 1 1 316.387 -1.723 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC001364917512 919097089 /nfs/dbraw/zinc/09/70/89/919097089.db2.gz XVWIASHVXRFJBG-UHFFFAOYSA-N 1 1 301.368 -1.012 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC001364917512 919097102 /nfs/dbraw/zinc/09/71/02/919097102.db2.gz XVWIASHVXRFJBG-UHFFFAOYSA-N 1 1 301.368 -1.012 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001364947646 919103169 /nfs/dbraw/zinc/10/31/69/919103169.db2.gz PNTWSOFAQQHDOZ-NSHDSACASA-N 1 1 317.357 -1.404 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001364947573 919103325 /nfs/dbraw/zinc/10/33/25/919103325.db2.gz PNTWSOFAQQHDOZ-LLVKDONJSA-N 1 1 317.357 -1.404 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnc(N)nc1)[C@@H]1C[N@H+](C)CCN1C ZINC001364952770 919105529 /nfs/dbraw/zinc/10/55/29/919105529.db2.gz OVISUKIKUHWJRL-KOLCDFICSA-N 1 1 314.415 -1.029 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnc(N)nc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001364952770 919105542 /nfs/dbraw/zinc/10/55/42/919105542.db2.gz OVISUKIKUHWJRL-KOLCDFICSA-N 1 1 314.415 -1.029 20 0 DAADMO O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001364949974 919105876 /nfs/dbraw/zinc/10/58/76/919105876.db2.gz DNAOUEXOWZDRNJ-GHMZBOCLSA-N 1 1 320.390 -1.219 20 0 DAADMO Nc1nnnn1-c1cccc(C(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001365051166 919119192 /nfs/dbraw/zinc/11/91/92/919119192.db2.gz RLGBJWVFVBJWSK-UHFFFAOYSA-N 1 1 315.337 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC001365092801 919121380 /nfs/dbraw/zinc/12/13/80/919121380.db2.gz CEHHVKHPCWHBLB-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](CO)C1)C[NH+]1CCOCC1 ZINC001365108504 919125261 /nfs/dbraw/zinc/12/52/61/919125261.db2.gz CZEBIDPLDFOBST-UPJWGTAASA-N 1 1 301.387 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001365102983 919125444 /nfs/dbraw/zinc/12/54/44/919125444.db2.gz GAMBBAOIKGQRQE-VIFPVBQESA-N 1 1 301.347 -1.506 20 0 DAADMO C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC001365114740 919126134 /nfs/dbraw/zinc/12/61/34/919126134.db2.gz OPSNZMSBQXGZGQ-WCBMZHEXSA-N 1 1 306.388 -1.612 20 0 DAADMO C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001365114740 919126142 /nfs/dbraw/zinc/12/61/42/919126142.db2.gz OPSNZMSBQXGZGQ-WCBMZHEXSA-N 1 1 306.388 -1.612 20 0 DAADMO COCC[NH+]1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001365170616 919136653 /nfs/dbraw/zinc/13/66/53/919136653.db2.gz QWXUMYIFUFZKMZ-JTQLQIEISA-N 1 1 313.358 -1.410 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001365180945 919137083 /nfs/dbraw/zinc/13/70/83/919137083.db2.gz HFGKXQUZDPYGKV-UHFFFAOYSA-N 1 1 309.330 -2.733 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CNC(=O)C2)CC[N@@H+](C)C1 ZINC001365200187 919140947 /nfs/dbraw/zinc/14/09/47/919140947.db2.gz HAXDVELXIZCNPA-QWRGUYRKSA-N 1 1 312.370 -1.131 20 0 DAADMO NC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC001365197016 919141422 /nfs/dbraw/zinc/14/14/22/919141422.db2.gz COLLBVOFNREXLF-LLVKDONJSA-N 1 1 309.370 -2.468 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1nnc2n1CCNC2=O ZINC001365224149 919144598 /nfs/dbraw/zinc/14/45/98/919144598.db2.gz SREMKFSJSPYKAN-SECBINFHSA-N 1 1 307.358 -1.085 20 0 DAADMO CON1CC[C@@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267747 919148751 /nfs/dbraw/zinc/14/87/51/919148751.db2.gz IXNKVTGWPZAZEB-NXEZZACHSA-N 1 1 306.388 -1.346 20 0 DAADMO CON1CC[C@@H]([N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267747 919148770 /nfs/dbraw/zinc/14/87/70/919148770.db2.gz IXNKVTGWPZAZEB-NXEZZACHSA-N 1 1 306.388 -1.346 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001365285293 919152586 /nfs/dbraw/zinc/15/25/86/919152586.db2.gz BBICTJDPVVEOLM-MNOVXSKESA-N 1 1 308.400 -1.358 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001365285287 919152874 /nfs/dbraw/zinc/15/28/74/919152874.db2.gz BBICTJDPVVEOLM-GHMZBOCLSA-N 1 1 308.400 -1.358 20 0 DAADMO C[C@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)C(=O)N(C)C ZINC001365310089 919156243 /nfs/dbraw/zinc/15/62/43/919156243.db2.gz IBAZBTCJJBNHBG-UPJWGTAASA-N 1 1 314.430 -1.034 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001365321501 919159360 /nfs/dbraw/zinc/15/93/60/919159360.db2.gz KVYJOYJJSVLYCB-SNVBAGLBSA-N 1 1 308.404 -1.709 20 0 DAADMO CC(C)(CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)NS(C)(=O)=O ZINC001365326028 919159490 /nfs/dbraw/zinc/15/94/90/919159490.db2.gz ODSTZSVTALEECR-SNVBAGLBSA-N 1 1 322.431 -1.320 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)NC[C@H](O)Cn1ccnn1 ZINC001365329396 919159541 /nfs/dbraw/zinc/15/95/41/919159541.db2.gz SWOAFAGBSLBIBZ-NSHDSACASA-N 1 1 314.415 -1.013 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001365317241 919160094 /nfs/dbraw/zinc/16/00/94/919160094.db2.gz OJQGJDCSVUPPEG-AEJSXWLSSA-N 1 1 319.383 -1.424 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001365317241 919160105 /nfs/dbraw/zinc/16/01/05/919160105.db2.gz OJQGJDCSVUPPEG-AEJSXWLSSA-N 1 1 319.383 -1.424 20 0 DAADMO CCOC(=O)C[C@H](O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001365321937 919160663 /nfs/dbraw/zinc/16/06/63/919160663.db2.gz NVPMPNPGVAUGPY-VIFPVBQESA-N 1 1 322.383 -1.677 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(CO)CC2)CC1 ZINC001365316712 919160813 /nfs/dbraw/zinc/16/08/13/919160813.db2.gz QMSDOEKPYLCSFI-UHFFFAOYSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(C[N@H+]1C[C@H](CCO)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001365340956 919162151 /nfs/dbraw/zinc/16/21/51/919162151.db2.gz HZMHIMYUZLKYGD-STQMWFEESA-N 1 1 313.398 -1.352 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CCO)[C@H](CO)C1)NCC(=O)N1CCCC1 ZINC001365340956 919162162 /nfs/dbraw/zinc/16/21/62/919162162.db2.gz HZMHIMYUZLKYGD-STQMWFEESA-N 1 1 313.398 -1.352 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340947 919162397 /nfs/dbraw/zinc/16/23/97/919162397.db2.gz HZMHIMYUZLKYGD-OLZOCXBDSA-N 1 1 313.398 -1.352 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CO)[C@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340947 919162411 /nfs/dbraw/zinc/16/24/11/919162411.db2.gz HZMHIMYUZLKYGD-OLZOCXBDSA-N 1 1 313.398 -1.352 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001365336147 919163395 /nfs/dbraw/zinc/16/33/95/919163395.db2.gz ISTKPZQKKDUGFJ-GXTWGEPZSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001365336147 919163405 /nfs/dbraw/zinc/16/34/05/919163405.db2.gz ISTKPZQKKDUGFJ-GXTWGEPZSA-N 1 1 302.371 -1.321 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001365332939 919164069 /nfs/dbraw/zinc/16/40/69/919164069.db2.gz BHFMHWKNEUPWHD-ZJUUUORDSA-N 1 1 313.445 -1.218 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001365334485 919164700 /nfs/dbraw/zinc/16/47/00/919164700.db2.gz COEWVMKIQUCDDE-CYBMUJFWSA-N 1 1 300.359 -1.660 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001365415081 919179537 /nfs/dbraw/zinc/17/95/37/919179537.db2.gz JRWZOLBKOXKLKX-VIFPVBQESA-N 1 1 316.383 -1.686 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001365525833 919195219 /nfs/dbraw/zinc/19/52/19/919195219.db2.gz HCMZXBUYCCFPTQ-GFCCVEGCSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001365525843 919196502 /nfs/dbraw/zinc/19/65/02/919196502.db2.gz HCMZXBUYCCFPTQ-LBPRGKRZSA-N 1 1 323.397 -1.113 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CNC(=O)C2)CC1 ZINC001365542342 919199046 /nfs/dbraw/zinc/19/90/46/919199046.db2.gz ODDIUVVMDMEOCC-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2nnn(C)n2)CC1 ZINC001365542748 919199437 /nfs/dbraw/zinc/19/94/37/919199437.db2.gz ZYWCWWBAVSEYSB-UHFFFAOYSA-N 1 1 310.362 -1.780 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001365586976 919203392 /nfs/dbraw/zinc/20/33/92/919203392.db2.gz HHBYFJJUXCQZJU-UWVGGRQHSA-N 1 1 313.358 -1.675 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC001365608515 919203917 /nfs/dbraw/zinc/20/39/17/919203917.db2.gz OCCVNACXTAHVTC-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC001365608515 919203931 /nfs/dbraw/zinc/20/39/31/919203931.db2.gz OCCVNACXTAHVTC-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001365609713 919205423 /nfs/dbraw/zinc/20/54/23/919205423.db2.gz XHJWLEUXWXRUNZ-VHSXEESVSA-N 1 1 309.370 -1.582 20 0 DAADMO C[C@@H](CNC(=O)NCCS(N)(=O)=O)N1CCN(C)CC1 ZINC001365677139 919214381 /nfs/dbraw/zinc/21/43/81/919214381.db2.gz XVBHNMRMAQOCBL-JTQLQIEISA-N 1 1 307.420 -1.790 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001365699106 919219699 /nfs/dbraw/zinc/21/96/99/919219699.db2.gz XHFLAVDVNGKFOT-YYSFKGJASA-N 1 1 314.433 -1.538 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001365699106 919219711 /nfs/dbraw/zinc/21/97/11/919219711.db2.gz XHFLAVDVNGKFOT-YYSFKGJASA-N 1 1 314.433 -1.538 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001365732632 919228804 /nfs/dbraw/zinc/22/88/04/919228804.db2.gz LOSIRMJRMPAGND-SNVBAGLBSA-N 1 1 309.370 -1.710 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001365732632 919228811 /nfs/dbraw/zinc/22/88/11/919228811.db2.gz LOSIRMJRMPAGND-SNVBAGLBSA-N 1 1 309.370 -1.710 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCO)c(=O)n(C)c1=O ZINC001365735644 919231949 /nfs/dbraw/zinc/23/19/49/919231949.db2.gz KQVBRGBCOYPNPS-UHFFFAOYSA-N 1 1 320.371 -2.714 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC001365735644 919231965 /nfs/dbraw/zinc/23/19/65/919231965.db2.gz KQVBRGBCOYPNPS-UHFFFAOYSA-N 1 1 320.371 -2.714 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001365811598 919240454 /nfs/dbraw/zinc/24/04/54/919240454.db2.gz RPZHDWZDAUAOMX-AOOOYVTPSA-N 1 1 309.374 -1.279 20 0 DAADMO CCO[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C[NH2+]CC(N)=O ZINC001365862279 919241738 /nfs/dbraw/zinc/24/17/38/919241738.db2.gz LUVDWBRGMDMEKX-ZYHUDNBSSA-N 1 1 324.385 -1.324 20 0 DAADMO CCO[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001365862279 919241754 /nfs/dbraw/zinc/24/17/54/919241754.db2.gz LUVDWBRGMDMEKX-ZYHUDNBSSA-N 1 1 324.385 -1.324 20 0 DAADMO CCOCC(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001365859709 919243232 /nfs/dbraw/zinc/24/32/32/919243232.db2.gz FXJLZJBGGLMBNF-SNVBAGLBSA-N 1 1 323.353 -1.187 20 0 DAADMO CCOCC(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001365859681 919243693 /nfs/dbraw/zinc/24/36/93/919243693.db2.gz FXJLZJBGGLMBNF-JTQLQIEISA-N 1 1 323.353 -1.187 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)[C@@H]1C ZINC001365902999 919245374 /nfs/dbraw/zinc/24/53/74/919245374.db2.gz CQZOCMFQALQDCR-BNOWGMLFSA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001365928633 919245527 /nfs/dbraw/zinc/24/55/27/919245527.db2.gz XQZZAPUJUULQPD-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1 ZINC001365906344 919245830 /nfs/dbraw/zinc/24/58/30/919245830.db2.gz WJJKUWRYBSXMKG-ZDUSSCGKSA-N 1 1 304.387 -1.075 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001365902985 919247990 /nfs/dbraw/zinc/24/79/90/919247990.db2.gz LSZYKVHFFKDPJR-SNVBAGLBSA-N 1 1 314.386 -1.718 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365883185 919248511 /nfs/dbraw/zinc/24/85/11/919248511.db2.gz NNRDRLYMFBPQDC-LBPRGKRZSA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365883185 919248525 /nfs/dbraw/zinc/24/85/25/919248525.db2.gz NNRDRLYMFBPQDC-LBPRGKRZSA-N 1 1 309.370 -1.277 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1C ZINC001365889915 919248613 /nfs/dbraw/zinc/24/86/13/919248613.db2.gz LICQRLHJSSLUHR-AXFHLTTASA-N 1 1 309.374 -1.086 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001365948170 919250123 /nfs/dbraw/zinc/25/01/23/919250123.db2.gz KYALVPKJXBFMCZ-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001365948170 919250131 /nfs/dbraw/zinc/25/01/31/919250131.db2.gz KYALVPKJXBFMCZ-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001365951332 919250752 /nfs/dbraw/zinc/25/07/52/919250752.db2.gz LUBBWVAZMPZUKK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001365951330 919251943 /nfs/dbraw/zinc/25/19/43/919251943.db2.gz LUBBWVAZMPZUKK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001365935421 919252231 /nfs/dbraw/zinc/25/22/31/919252231.db2.gz SXBMFCAUQCNVDL-NSHDSACASA-N 1 1 300.359 -2.188 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365940088 919252714 /nfs/dbraw/zinc/25/27/14/919252714.db2.gz DAEDDJNJUSRKML-LLVKDONJSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365940088 919252730 /nfs/dbraw/zinc/25/27/30/919252730.db2.gz DAEDDJNJUSRKML-LLVKDONJSA-N 1 1 321.385 -1.070 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001365979167 919257741 /nfs/dbraw/zinc/25/77/41/919257741.db2.gz RINNPJCDARVPGI-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001365974931 919258605 /nfs/dbraw/zinc/25/86/05/919258605.db2.gz FENQCRIQCGXKCF-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001365974931 919258618 /nfs/dbraw/zinc/25/86/18/919258618.db2.gz FENQCRIQCGXKCF-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365978962 919258935 /nfs/dbraw/zinc/25/89/35/919258935.db2.gz OZWDVZCKKHBDMR-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365978962 919258948 /nfs/dbraw/zinc/25/89/48/919258948.db2.gz OZWDVZCKKHBDMR-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001365968484 919259095 /nfs/dbraw/zinc/25/90/95/919259095.db2.gz IKHLCFSFHOMIDZ-LLVKDONJSA-N 1 1 324.389 -1.429 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001365968484 919259096 /nfs/dbraw/zinc/25/90/96/919259096.db2.gz IKHLCFSFHOMIDZ-LLVKDONJSA-N 1 1 324.389 -1.429 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001365971969 919259618 /nfs/dbraw/zinc/25/96/18/919259618.db2.gz CZBOWCITIVBONJ-MNOVXSKESA-N 1 1 321.385 -1.115 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001365993839 919263819 /nfs/dbraw/zinc/26/38/19/919263819.db2.gz VZUAAOURHUQXIR-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001365993839 919263837 /nfs/dbraw/zinc/26/38/37/919263837.db2.gz VZUAAOURHUQXIR-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001365994993 919265442 /nfs/dbraw/zinc/26/54/42/919265442.db2.gz KLUFEYZFPMSELN-UTUOFQBUSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001365994993 919265458 /nfs/dbraw/zinc/26/54/58/919265458.db2.gz KLUFEYZFPMSELN-UTUOFQBUSA-N 1 1 308.382 -1.176 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365983046 919265900 /nfs/dbraw/zinc/26/59/00/919265900.db2.gz LDBKAAPEUDUJMB-ZJUUUORDSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365983046 919265888 /nfs/dbraw/zinc/26/58/88/919265888.db2.gz LDBKAAPEUDUJMB-ZJUUUORDSA-N 1 1 311.386 -1.227 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025817 919269515 /nfs/dbraw/zinc/26/95/15/919269515.db2.gz HHCYJMXNHXAHAS-WDEREUQCSA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 ZINC001366028041 919270549 /nfs/dbraw/zinc/27/05/49/919270549.db2.gz CDXSPQJYRBVVID-GHMZBOCLSA-N 1 1 308.342 -1.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001366002965 919270760 /nfs/dbraw/zinc/27/07/60/919270760.db2.gz KSEGETXPOYQZJE-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001365999363 919271122 /nfs/dbraw/zinc/27/11/22/919271122.db2.gz APJYMAZQWXOLKL-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001366034001 919272363 /nfs/dbraw/zinc/27/23/63/919272363.db2.gz YQKYXIJEAKSOBZ-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001366033983 919273925 /nfs/dbraw/zinc/27/39/25/919273925.db2.gz IQFKPEJBPSIJDG-QWRGUYRKSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001366033976 919274747 /nfs/dbraw/zinc/27/47/47/919274747.db2.gz IQFKPEJBPSIJDG-MNOVXSKESA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001366089753 919275582 /nfs/dbraw/zinc/27/55/82/919275582.db2.gz DFUSWISBTOKKML-VIFPVBQESA-N 1 1 310.362 -1.780 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366074413 919276100 /nfs/dbraw/zinc/27/61/00/919276100.db2.gz DVCCLVVLAFDZQO-SNVBAGLBSA-N 1 1 309.374 -1.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001366104441 919284767 /nfs/dbraw/zinc/28/47/67/919284767.db2.gz WWJGCKOPGMJROA-VIFPVBQESA-N 1 1 316.387 -1.647 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366129912 919285691 /nfs/dbraw/zinc/28/56/91/919285691.db2.gz ZHEFVWICAZJXID-XWLWVQCSSA-N 1 1 311.386 -1.099 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001366130103 919286153 /nfs/dbraw/zinc/28/61/53/919286153.db2.gz KJCPJDGNTSLVSZ-ZKCHVHJHSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366144556 919286301 /nfs/dbraw/zinc/28/63/01/919286301.db2.gz ZHEFVWICAZJXID-MMWGEVLESA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2)C1)C(=O)NC(N)=O ZINC001366130275 919286685 /nfs/dbraw/zinc/28/66/85/919286685.db2.gz MGUWJFNIALJXSE-DCAQKATOSA-N 1 1 311.386 -1.098 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CNC(C)=O)C1 ZINC001366142551 919288160 /nfs/dbraw/zinc/28/81/60/919288160.db2.gz PXCZNVBWDQHOTP-PHIMTYICSA-N 1 1 309.374 -1.044 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)NC[C@@H]1CCCO1 ZINC001366152281 919289502 /nfs/dbraw/zinc/28/95/02/919289502.db2.gz XRSBXHMGFHGGCH-AXFHLTTASA-N 1 1 322.369 -1.050 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001366164989 919289846 /nfs/dbraw/zinc/28/98/46/919289846.db2.gz LWEFDQYHAVZYNV-DTORHVGOSA-N 1 1 316.387 -1.899 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001366170929 919289878 /nfs/dbraw/zinc/28/98/78/919289878.db2.gz JNTIMURKZLHQQI-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001366170932 919290701 /nfs/dbraw/zinc/29/07/01/919290701.db2.gz JNTIMURKZLHQQI-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001366178135 919292716 /nfs/dbraw/zinc/29/27/16/919292716.db2.gz IHPKWKVGQPOQHN-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001366173746 919293944 /nfs/dbraw/zinc/29/39/44/919293944.db2.gz SPBQXFZBXAJFLQ-NWDGAFQWSA-N 1 1 312.374 -1.491 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001366232615 919295877 /nfs/dbraw/zinc/29/58/77/919295877.db2.gz KXRUCFCYSOKZGC-ZMHPAJMFSA-N 1 1 308.382 -1.212 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233555 919296069 /nfs/dbraw/zinc/29/60/69/919296069.db2.gz QJCQMRPCMMRVCG-BIIVNPBRSA-N 1 1 324.337 -1.963 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233555 919296082 /nfs/dbraw/zinc/29/60/82/919296082.db2.gz QJCQMRPCMMRVCG-BIIVNPBRSA-N 1 1 324.337 -1.963 20 0 DAADMO COC1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001366235872 919297032 /nfs/dbraw/zinc/29/70/32/919297032.db2.gz ZKXXVANNSXIZRV-AFQTVFIFSA-N 1 1 310.354 -1.347 20 0 DAADMO COC1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001366235872 919297044 /nfs/dbraw/zinc/29/70/44/919297044.db2.gz ZKXXVANNSXIZRV-AFQTVFIFSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001366237178 919297191 /nfs/dbraw/zinc/29/71/91/919297191.db2.gz HJYXGIDPQKQGLO-PREPNJAASA-N 1 1 323.397 -1.290 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233570 919299123 /nfs/dbraw/zinc/29/91/23/919299123.db2.gz QJCQMRPCMMRVCG-KSFAHDSMSA-N 1 1 324.337 -1.963 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233570 919299136 /nfs/dbraw/zinc/29/91/36/919299136.db2.gz QJCQMRPCMMRVCG-KSFAHDSMSA-N 1 1 324.337 -1.963 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nnc2n1CCCC2 ZINC001366275220 919300917 /nfs/dbraw/zinc/30/09/17/919300917.db2.gz OMXDYDKGOIEABY-SNVBAGLBSA-N 1 1 319.373 -1.105 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ncccn1)C(N)=O ZINC001366324549 919309183 /nfs/dbraw/zinc/30/91/83/919309183.db2.gz BGABTEFZFZFNAU-ONGXEEELSA-N 1 1 322.369 -1.549 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001366315233 919310579 /nfs/dbraw/zinc/31/05/79/919310579.db2.gz YVDQQZIXIHXMDW-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366349993 919313492 /nfs/dbraw/zinc/31/34/92/919313492.db2.gz XLVIMIXYDJPELE-WDEREUQCSA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366332455 919313790 /nfs/dbraw/zinc/31/37/90/919313790.db2.gz JSUFABFETHAIRB-ZJUUUORDSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366332455 919313799 /nfs/dbraw/zinc/31/37/99/919313799.db2.gz JSUFABFETHAIRB-ZJUUUORDSA-N 1 1 310.358 -1.335 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001366327382 919314331 /nfs/dbraw/zinc/31/43/31/919314331.db2.gz OSOOXYBAXWZVJG-VHSXEESVSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366349988 919314532 /nfs/dbraw/zinc/31/45/32/919314532.db2.gz XLVIMIXYDJPELE-QWRGUYRKSA-N 1 1 324.385 -1.263 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC)n1 ZINC001366367484 919315544 /nfs/dbraw/zinc/31/55/44/919315544.db2.gz PEVPQXSXXITJAI-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001366368801 919317831 /nfs/dbraw/zinc/31/78/31/919317831.db2.gz RUHAEUGUEAJCJD-QMMMGPOBSA-N 1 1 308.346 -1.845 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1nncn1C ZINC001366362730 919318208 /nfs/dbraw/zinc/31/82/08/919318208.db2.gz YVCCOAAKTWVAGL-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001366372083 919321606 /nfs/dbraw/zinc/32/16/06/919321606.db2.gz BSYALAPIGYFGDS-KOLCDFICSA-N 1 1 315.399 -1.013 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001366441016 919330558 /nfs/dbraw/zinc/33/05/58/919330558.db2.gz XRPDBIDMNHKDRI-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001366441016 919330574 /nfs/dbraw/zinc/33/05/74/919330574.db2.gz XRPDBIDMNHKDRI-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001366505885 919332617 /nfs/dbraw/zinc/33/26/17/919332617.db2.gz PAALFNQTOMSKSJ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001366505885 919332635 /nfs/dbraw/zinc/33/26/35/919332635.db2.gz PAALFNQTOMSKSJ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CO[C@H](C)C(=O)NCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001366522001 919336129 /nfs/dbraw/zinc/33/61/29/919336129.db2.gz QMLNPGCDHOFPGH-SNVBAGLBSA-N 1 1 312.370 -1.333 20 0 DAADMO CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001366522001 919336147 /nfs/dbraw/zinc/33/61/47/919336147.db2.gz QMLNPGCDHOFPGH-SNVBAGLBSA-N 1 1 312.370 -1.333 20 0 DAADMO CCn1ccc(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001366528476 919336686 /nfs/dbraw/zinc/33/66/86/919336686.db2.gz QMRJWJSDLWLOHL-UHFFFAOYSA-N 1 1 310.358 -1.312 20 0 DAADMO CCn1ccc(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001366528476 919336698 /nfs/dbraw/zinc/33/66/98/919336698.db2.gz QMRJWJSDLWLOHL-UHFFFAOYSA-N 1 1 310.358 -1.312 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001366521427 919338246 /nfs/dbraw/zinc/33/82/46/919338246.db2.gz UAZSNNHEJQJTTM-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001366521427 919338256 /nfs/dbraw/zinc/33/82/56/919338256.db2.gz UAZSNNHEJQJTTM-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001366530590 919338841 /nfs/dbraw/zinc/33/88/41/919338841.db2.gz QBVWPAFFDRAQPF-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001366530590 919338860 /nfs/dbraw/zinc/33/88/60/919338860.db2.gz QBVWPAFFDRAQPF-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001366516869 919339186 /nfs/dbraw/zinc/33/91/86/919339186.db2.gz FQUAZCOIEUAYIU-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001366516869 919339202 /nfs/dbraw/zinc/33/92/02/919339202.db2.gz FQUAZCOIEUAYIU-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)CCCN2CCCC2=O)n1 ZINC001366554726 919341185 /nfs/dbraw/zinc/34/11/85/919341185.db2.gz BGLZMRBSPDAITB-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001366551463 919342021 /nfs/dbraw/zinc/34/20/21/919342021.db2.gz UMGLKOVPFPTMQS-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001366552689 919342353 /nfs/dbraw/zinc/34/23/53/919342353.db2.gz DXYOMUILGDDXQA-UHFFFAOYSA-N 1 1 304.376 -1.676 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001366552689 919342369 /nfs/dbraw/zinc/34/23/69/919342369.db2.gz DXYOMUILGDDXQA-UHFFFAOYSA-N 1 1 304.376 -1.676 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001366552248 919342790 /nfs/dbraw/zinc/34/27/90/919342790.db2.gz NELBZMIMPRVPMU-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001366552248 919342806 /nfs/dbraw/zinc/34/28/06/919342806.db2.gz NELBZMIMPRVPMU-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001366540733 919344028 /nfs/dbraw/zinc/34/40/28/919344028.db2.gz YDFNQVZBMUYBLD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001366540733 919344044 /nfs/dbraw/zinc/34/40/44/919344044.db2.gz YDFNQVZBMUYBLD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001366539414 919344319 /nfs/dbraw/zinc/34/43/19/919344319.db2.gz IUIGOWWYTVCROX-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001366539414 919344327 /nfs/dbraw/zinc/34/43/27/919344327.db2.gz IUIGOWWYTVCROX-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CN1CCC[C@H]([N@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001366575200 919345675 /nfs/dbraw/zinc/34/56/75/919345675.db2.gz VAVJWSOGEIZJJY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001366575200 919345690 /nfs/dbraw/zinc/34/56/90/919345690.db2.gz VAVJWSOGEIZJJY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001366559861 919346666 /nfs/dbraw/zinc/34/66/66/919346666.db2.gz NILUJFJLUXJUID-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001366559861 919346681 /nfs/dbraw/zinc/34/66/81/919346681.db2.gz NILUJFJLUXJUID-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCN2CCCC2=O)NC1=O ZINC001366561586 919348375 /nfs/dbraw/zinc/34/83/75/919348375.db2.gz UJZRZBXMVHFRHM-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001366559863 919348588 /nfs/dbraw/zinc/34/85/88/919348588.db2.gz NILUJFJLUXJUID-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001366559863 919348599 /nfs/dbraw/zinc/34/85/99/919348599.db2.gz NILUJFJLUXJUID-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366567248 919349223 /nfs/dbraw/zinc/34/92/23/919349223.db2.gz LCOLKVUFWKTADL-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366567248 919349240 /nfs/dbraw/zinc/34/92/40/919349240.db2.gz LCOLKVUFWKTADL-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO C[N@H+](CCNC(=O)CCNC(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001366586675 919350413 /nfs/dbraw/zinc/35/04/13/919350413.db2.gz PNOFSVSWRNMEJP-SNVBAGLBSA-N 1 1 320.415 -1.473 20 0 DAADMO C[N@@H+](CCNC(=O)CCNC(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001366586675 919350419 /nfs/dbraw/zinc/35/04/19/919350419.db2.gz PNOFSVSWRNMEJP-SNVBAGLBSA-N 1 1 320.415 -1.473 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCc2nncn2C1)[C@@H]1CCNC1=O ZINC001366592703 919350754 /nfs/dbraw/zinc/35/07/54/919350754.db2.gz NZWYUIPXOZOVQI-WDEREUQCSA-N 1 1 306.370 -1.223 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)[C@@H]1CCNC1=O ZINC001366592703 919350771 /nfs/dbraw/zinc/35/07/71/919350771.db2.gz NZWYUIPXOZOVQI-WDEREUQCSA-N 1 1 306.370 -1.223 20 0 DAADMO CCN1CC[C@H]([N@@H+](CC)CCNC(=O)Cn2cnnn2)C1=O ZINC001366601656 919351082 /nfs/dbraw/zinc/35/10/82/919351082.db2.gz XVJNBVFAUOZJJP-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CCNC1=O ZINC001366592696 919351701 /nfs/dbraw/zinc/35/17/01/919351701.db2.gz NZWYUIPXOZOVQI-GHMZBOCLSA-N 1 1 306.370 -1.223 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)[C@@H]1CCNC1=O ZINC001366592696 919351716 /nfs/dbraw/zinc/35/17/16/919351716.db2.gz NZWYUIPXOZOVQI-GHMZBOCLSA-N 1 1 306.370 -1.223 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001366593646 919351813 /nfs/dbraw/zinc/35/18/13/919351813.db2.gz VVWWOZRYAQPORM-SNVBAGLBSA-N 1 1 310.354 -1.151 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1cnc(C)nc1 ZINC001366592481 919353286 /nfs/dbraw/zinc/35/32/86/919353286.db2.gz ZPJPPTSNKNIZBF-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1cnc(C)nc1 ZINC001366592481 919353300 /nfs/dbraw/zinc/35/33/00/919353300.db2.gz ZPJPPTSNKNIZBF-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001366597649 919354696 /nfs/dbraw/zinc/35/46/96/919354696.db2.gz TUDHMVGWCFNQGR-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CCNC1=O ZINC001366592701 919355047 /nfs/dbraw/zinc/35/50/47/919355047.db2.gz NZWYUIPXOZOVQI-QWRGUYRKSA-N 1 1 306.370 -1.223 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)[C@H]1CCNC1=O ZINC001366592701 919355062 /nfs/dbraw/zinc/35/50/62/919355062.db2.gz NZWYUIPXOZOVQI-QWRGUYRKSA-N 1 1 306.370 -1.223 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H]1CCNC1=O ZINC001366637980 919355715 /nfs/dbraw/zinc/35/57/15/919355715.db2.gz FNIHQTYJNJSHPY-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001366636641 919355824 /nfs/dbraw/zinc/35/58/24/919355824.db2.gz DPYHESLTMNQYJP-UHFFFAOYSA-N 1 1 300.315 -1.060 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)CCn1cncn1 ZINC001366623348 919356197 /nfs/dbraw/zinc/35/61/97/919356197.db2.gz XWKOQGVKMURJDY-UHFFFAOYSA-N 1 1 322.373 -1.688 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)C1CC1 ZINC001366625959 919356446 /nfs/dbraw/zinc/35/64/46/919356446.db2.gz HRMWCGMXABTKME-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)C1CC1 ZINC001366625959 919356461 /nfs/dbraw/zinc/35/64/61/919356461.db2.gz HRMWCGMXABTKME-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)N(C)C ZINC001366605000 919357290 /nfs/dbraw/zinc/35/72/90/919357290.db2.gz BJCSCRPUODIOAE-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)N(C)C ZINC001366605000 919357304 /nfs/dbraw/zinc/35/73/04/919357304.db2.gz BJCSCRPUODIOAE-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(OC)ncn1)CC(=O)NC(N)=O ZINC001366616194 919357587 /nfs/dbraw/zinc/35/75/87/919357587.db2.gz RCWPMOUXBBOUFM-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(OC)ncn1)CC(=O)NC(N)=O ZINC001366616194 919357601 /nfs/dbraw/zinc/35/76/01/919357601.db2.gz RCWPMOUXBBOUFM-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncc(OC)cn1)CC(=O)NC(N)=O ZINC001366618101 919358397 /nfs/dbraw/zinc/35/83/97/919358397.db2.gz XBNCEVHJNILNFO-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncc(OC)cn1)CC(=O)NC(N)=O ZINC001366618101 919358414 /nfs/dbraw/zinc/35/84/14/919358414.db2.gz XBNCEVHJNILNFO-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@H]1CCNC1=O ZINC001366637985 919358987 /nfs/dbraw/zinc/35/89/87/919358987.db2.gz FNIHQTYJNJSHPY-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(C)C1=O ZINC001366625846 919359074 /nfs/dbraw/zinc/35/90/74/919359074.db2.gz KKVQMXNPMGTNSW-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(C(=O)NC)nc1)CC(N)=O ZINC001366637984 919359161 /nfs/dbraw/zinc/35/91/61/919359161.db2.gz JCOJLBWXQMZODV-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(C(=O)NC)nc1)CC(N)=O ZINC001366637984 919359174 /nfs/dbraw/zinc/35/91/74/919359174.db2.gz JCOJLBWXQMZODV-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)C1CC1 ZINC001366625958 919359240 /nfs/dbraw/zinc/35/92/40/919359240.db2.gz HRMWCGMXABTKME-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)C1CC1 ZINC001366625958 919359254 /nfs/dbraw/zinc/35/92/54/919359254.db2.gz HRMWCGMXABTKME-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)CCn1cccn1 ZINC001366620270 919359288 /nfs/dbraw/zinc/35/92/88/919359288.db2.gz JIKQZDJQUCRQMC-UHFFFAOYSA-N 1 1 321.385 -1.083 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)C(C)C ZINC001366625164 919359570 /nfs/dbraw/zinc/35/95/70/919359570.db2.gz BEMMDEXTFAZKDA-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)C(C)C ZINC001366625164 919359578 /nfs/dbraw/zinc/35/95/78/919359578.db2.gz BEMMDEXTFAZKDA-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(=O)NC ZINC001366642247 919360595 /nfs/dbraw/zinc/36/05/95/919360595.db2.gz ZFDOUMSFMKLONW-UHFFFAOYSA-N 1 1 319.369 -1.149 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(=O)NC ZINC001366642247 919360617 /nfs/dbraw/zinc/36/06/17/919360617.db2.gz ZFDOUMSFMKLONW-UHFFFAOYSA-N 1 1 319.369 -1.149 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ccnc1)CC(=O)NC(=O)NC ZINC001366643027 919361284 /nfs/dbraw/zinc/36/12/84/919361284.db2.gz MKNUNAFFFUYJCR-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccnc1)CC(=O)NC(=O)NC ZINC001366643027 919361299 /nfs/dbraw/zinc/36/12/99/919361299.db2.gz MKNUNAFFFUYJCR-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001366664997 919361332 /nfs/dbraw/zinc/36/13/32/919361332.db2.gz DGYIWBXUDCWXQS-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001366664997 919361347 /nfs/dbraw/zinc/36/13/47/919361347.db2.gz DGYIWBXUDCWXQS-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001366664997 919361364 /nfs/dbraw/zinc/36/13/64/919361364.db2.gz DGYIWBXUDCWXQS-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CCNC(=O)C1CC1 ZINC001366661500 919362425 /nfs/dbraw/zinc/36/24/25/919362425.db2.gz OOIWRURQJRWNLY-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NC ZINC001366658889 919362650 /nfs/dbraw/zinc/36/26/50/919362650.db2.gz WCRVHPSMLMBSTP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NC ZINC001366658889 919362667 /nfs/dbraw/zinc/36/26/67/919362667.db2.gz WCRVHPSMLMBSTP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001366663046 919362699 /nfs/dbraw/zinc/36/26/99/919362699.db2.gz PWTKWDWDYAIHAJ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001366655946 919362888 /nfs/dbraw/zinc/36/28/88/919362888.db2.gz DUSGBVYVOQPELN-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001366655946 919362909 /nfs/dbraw/zinc/36/29/09/919362909.db2.gz DUSGBVYVOQPELN-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001366671246 919363520 /nfs/dbraw/zinc/36/35/20/919363520.db2.gz VJGFWFIOYJVTEC-GHMZBOCLSA-N 1 1 310.354 -1.029 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001366655956 919363666 /nfs/dbraw/zinc/36/36/66/919363666.db2.gz DUSGBVYVOQPELN-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001366655956 919363681 /nfs/dbraw/zinc/36/36/81/919363681.db2.gz DUSGBVYVOQPELN-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654553 919364419 /nfs/dbraw/zinc/36/44/19/919364419.db2.gz KIAZGSWIEJYPEM-NXEZZACHSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654553 919364433 /nfs/dbraw/zinc/36/44/33/919364433.db2.gz KIAZGSWIEJYPEM-NXEZZACHSA-N 1 1 323.357 -1.385 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001366651570 919364601 /nfs/dbraw/zinc/36/46/01/919364601.db2.gz BOBSZRANFSZDCS-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001366651570 919364611 /nfs/dbraw/zinc/36/46/11/919364611.db2.gz BOBSZRANFSZDCS-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001366684803 919365143 /nfs/dbraw/zinc/36/51/43/919365143.db2.gz HRWUPTUWTCSLNX-TZMCWYRMSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001366695680 919365800 /nfs/dbraw/zinc/36/58/00/919365800.db2.gz HQWUSXRMWICOFJ-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001366682420 919365856 /nfs/dbraw/zinc/36/58/56/919365856.db2.gz MPGXYLOHLSBUFN-YPMHNXCESA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001366696484 919366752 /nfs/dbraw/zinc/36/67/52/919366752.db2.gz MDKCHKMDQPSFHM-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366691753 919366802 /nfs/dbraw/zinc/36/68/02/919366802.db2.gz LYLWAUIADIOIOG-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO O=C(CCn1cncn1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366685359 919367188 /nfs/dbraw/zinc/36/71/88/919367188.db2.gz RFAAVRFXCBAACD-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001366684402 919367238 /nfs/dbraw/zinc/36/72/38/919367238.db2.gz GPWOCUGIKVRSQT-KGLIPLIRSA-N 1 1 315.414 -1.236 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001366684112 919367785 /nfs/dbraw/zinc/36/77/85/919367785.db2.gz CBPVZNBRRFGLJI-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001366691669 919367937 /nfs/dbraw/zinc/36/79/37/919367937.db2.gz KNJCSHPAEDGAQY-JGVFFNPUSA-N 1 1 309.330 -1.553 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001366681422 919368692 /nfs/dbraw/zinc/36/86/92/919368692.db2.gz OFLQQYFGPQVIEO-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001366681675 919368790 /nfs/dbraw/zinc/36/87/90/919368790.db2.gz JFBAKFYKYDJWGD-JTQLQIEISA-N 1 1 323.357 -1.699 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001366684404 919368984 /nfs/dbraw/zinc/36/89/84/919368984.db2.gz GPWOCUGIKVRSQT-UONOGXRCSA-N 1 1 315.414 -1.236 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001366689000 919369175 /nfs/dbraw/zinc/36/91/75/919369175.db2.gz MUHKIZZCISKIIR-WDEREUQCSA-N 1 1 302.375 -1.639 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001366695885 919369361 /nfs/dbraw/zinc/36/93/61/919369361.db2.gz KUEREDDEXNQFSA-VIFPVBQESA-N 1 1 308.342 -1.333 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001366688979 919369837 /nfs/dbraw/zinc/36/98/37/919369837.db2.gz MMBPHPFIDITCFD-JQWIXIFHSA-N 1 1 320.411 -1.524 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001366714911 919371794 /nfs/dbraw/zinc/37/17/94/919371794.db2.gz XUCKIWDDQSYDRZ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001366714911 919371811 /nfs/dbraw/zinc/37/18/11/919371811.db2.gz XUCKIWDDQSYDRZ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001366709185 919375141 /nfs/dbraw/zinc/37/51/41/919375141.db2.gz LTPWZEFSFJPMDO-SECBINFHSA-N 1 1 323.357 -1.455 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001366709185 919375154 /nfs/dbraw/zinc/37/51/54/919375154.db2.gz LTPWZEFSFJPMDO-SECBINFHSA-N 1 1 323.357 -1.455 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1)NC1CC1 ZINC001366742166 919375302 /nfs/dbraw/zinc/37/53/02/919375302.db2.gz VOVSKQJYKUGGOD-NSHDSACASA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1)NC1CC1 ZINC001366742166 919375322 /nfs/dbraw/zinc/37/53/22/919375322.db2.gz VOVSKQJYKUGGOD-NSHDSACASA-N 1 1 310.354 -1.046 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001366764544 919377908 /nfs/dbraw/zinc/37/79/08/919377908.db2.gz ZVBOVMSZNYIQQG-UHFFFAOYSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001366764544 919377924 /nfs/dbraw/zinc/37/79/24/919377924.db2.gz ZVBOVMSZNYIQQG-UHFFFAOYSA-N 1 1 311.342 -2.006 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366825386 919380889 /nfs/dbraw/zinc/38/08/89/919380889.db2.gz PKKQRAQPVMROMQ-NEPJUHHUSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366828344 919381674 /nfs/dbraw/zinc/38/16/74/919381674.db2.gz UPFYINKLWFOVCU-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366836131 919384086 /nfs/dbraw/zinc/38/40/86/919384086.db2.gz PLPVXBMNMZNNRU-QWRGUYRKSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366836131 919384101 /nfs/dbraw/zinc/38/41/01/919384101.db2.gz PLPVXBMNMZNNRU-QWRGUYRKSA-N 1 1 321.385 -1.175 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cn3cnnn3)C2)C1=O ZINC001366830324 919384466 /nfs/dbraw/zinc/38/44/66/919384466.db2.gz ZZIPRQYNXVRMEJ-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366861158 919387028 /nfs/dbraw/zinc/38/70/28/919387028.db2.gz OIHVXGMFBUHKJZ-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366864760 919388705 /nfs/dbraw/zinc/38/87/05/919388705.db2.gz FUVXZRAFFYMIOS-LLVKDONJSA-N 1 1 310.354 -1.279 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001366863793 919389439 /nfs/dbraw/zinc/38/94/39/919389439.db2.gz AAIMHMNPXNPDFS-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366865507 919390597 /nfs/dbraw/zinc/39/05/97/919390597.db2.gz BAHRTWYOYOQULS-MNOVXSKESA-N 1 1 324.385 -1.462 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366865510 919391195 /nfs/dbraw/zinc/39/11/95/919391195.db2.gz BAHRTWYOYOQULS-WDEREUQCSA-N 1 1 324.385 -1.462 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366898738 919391376 /nfs/dbraw/zinc/39/13/76/919391376.db2.gz ULXFXDYVBLZXIV-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366898738 919391391 /nfs/dbraw/zinc/39/13/91/919391391.db2.gz ULXFXDYVBLZXIV-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001366867728 919391621 /nfs/dbraw/zinc/39/16/21/919391621.db2.gz FVMHOKUVWBMKTB-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366867312 919391888 /nfs/dbraw/zinc/39/18/88/919391888.db2.gz JRXXOFMKIUAVGJ-SECBINFHSA-N 1 1 321.403 -2.694 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366897662 919392004 /nfs/dbraw/zinc/39/20/04/919392004.db2.gz HYCDSGVQLAHSJB-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366897662 919392017 /nfs/dbraw/zinc/39/20/17/919392017.db2.gz HYCDSGVQLAHSJB-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001366881099 919392237 /nfs/dbraw/zinc/39/22/37/919392237.db2.gz KAMHTNPEQMLZCO-CYBMUJFWSA-N 1 1 312.414 -1.026 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001366867729 919392740 /nfs/dbraw/zinc/39/27/40/919392740.db2.gz FVMHOKUVWBMKTB-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001366909893 919395238 /nfs/dbraw/zinc/39/52/38/919395238.db2.gz LUBBWVAZMPZUKK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CN3CCOCC3)C2)C1=O ZINC001366963014 919408685 /nfs/dbraw/zinc/40/86/85/919408685.db2.gz NVHTYCJFOQIJLC-CYBMUJFWSA-N 1 1 310.398 -1.403 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001366963605 919409471 /nfs/dbraw/zinc/40/94/71/919409471.db2.gz VTRAFUSSWPGISY-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)CNC(=O)NC)C2)C1=O ZINC001366968733 919411414 /nfs/dbraw/zinc/41/14/14/919411414.db2.gz UDJFSHYBNPXMON-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001366959614 919411454 /nfs/dbraw/zinc/41/14/54/919411454.db2.gz FCUFQSHRUJEHFD-CQSZACIVSA-N 1 1 324.425 -1.109 20 0 DAADMO C[C@@]1(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CCC(=O)N1 ZINC001366978617 919413588 /nfs/dbraw/zinc/41/35/88/919413588.db2.gz HCZHQNLFXPSBPV-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001366981951 919414035 /nfs/dbraw/zinc/41/40/35/919414035.db2.gz KXMMTOBRVWFLRZ-UHFFFAOYSA-N 1 1 310.402 -1.002 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C ZINC001366996631 919419245 /nfs/dbraw/zinc/41/92/45/919419245.db2.gz WMGIXCPATGPSEI-RVMXOQNASA-N 1 1 311.382 -1.100 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)NC(N)=O)C1=O ZINC001366995217 919419402 /nfs/dbraw/zinc/41/94/02/919419402.db2.gz UDGOVSSKVNTLEY-FIQHERPVSA-N 1 1 323.397 -1.051 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)NC(N)=O)C1=O ZINC001366995217 919419411 /nfs/dbraw/zinc/41/94/11/919419411.db2.gz UDGOVSSKVNTLEY-FIQHERPVSA-N 1 1 323.397 -1.051 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001367000327 919419588 /nfs/dbraw/zinc/41/95/88/919419588.db2.gz LMUNKTOCKHTSPI-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001367011279 919422382 /nfs/dbraw/zinc/42/23/82/919422382.db2.gz TWFUNVVNXQJYGQ-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001367006222 919422810 /nfs/dbraw/zinc/42/28/10/919422810.db2.gz HKPIWBFVRZVUOY-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001367004910 919423000 /nfs/dbraw/zinc/42/30/00/919423000.db2.gz UTIVWNDHLIUEET-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001367023816 919424631 /nfs/dbraw/zinc/42/46/31/919424631.db2.gz PSWJQBHRVQBIOK-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001367020888 919425838 /nfs/dbraw/zinc/42/58/38/919425838.db2.gz VCTFNCHPIOTOGS-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001367026543 919427538 /nfs/dbraw/zinc/42/75/38/919427538.db2.gz UXQJVIDCPQABOL-WDEREUQCSA-N 1 1 312.370 -1.465 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367018682 919427557 /nfs/dbraw/zinc/42/75/57/919427557.db2.gz MXLSWBAAELAFLG-WDEREUQCSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367018682 919427574 /nfs/dbraw/zinc/42/75/74/919427574.db2.gz MXLSWBAAELAFLG-WDEREUQCSA-N 1 1 322.369 -1.589 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001367029992 919427590 /nfs/dbraw/zinc/42/75/90/919427590.db2.gz JKMYXIKQTQWETA-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001367029992 919427595 /nfs/dbraw/zinc/42/75/95/919427595.db2.gz JKMYXIKQTQWETA-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001367017778 919427627 /nfs/dbraw/zinc/42/76/27/919427627.db2.gz NHIMLXXBTWBQHB-BDAKNGLRSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001367017778 919427633 /nfs/dbraw/zinc/42/76/33/919427633.db2.gz NHIMLXXBTWBQHB-BDAKNGLRSA-N 1 1 309.330 -1.948 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001367048300 919429432 /nfs/dbraw/zinc/42/94/32/919429432.db2.gz VBIWSRLTPAMITR-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001367044193 919429560 /nfs/dbraw/zinc/42/95/60/919429560.db2.gz AIGUQDQAQNNADC-VXGBXAGGSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001367044193 919429572 /nfs/dbraw/zinc/42/95/72/919429572.db2.gz AIGUQDQAQNNADC-VXGBXAGGSA-N 1 1 320.411 -1.429 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001367043537 919429971 /nfs/dbraw/zinc/42/99/71/919429971.db2.gz RPFAZVAPOZMYDZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001367043537 919429983 /nfs/dbraw/zinc/42/99/83/919429983.db2.gz RPFAZVAPOZMYDZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001367051671 919430393 /nfs/dbraw/zinc/43/03/93/919430393.db2.gz JNSHBVABJCQHAA-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367033787 919430440 /nfs/dbraw/zinc/43/04/40/919430440.db2.gz VABWEOKMFHZXGK-RKDXNWHRSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367033787 919430452 /nfs/dbraw/zinc/43/04/52/919430452.db2.gz VABWEOKMFHZXGK-RKDXNWHRSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001367042160 919430538 /nfs/dbraw/zinc/43/05/38/919430538.db2.gz HPECBONSLRQPGH-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001367032045 919430724 /nfs/dbraw/zinc/43/07/24/919430724.db2.gz DXBDSVPTMHRCOC-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001367041212 919432185 /nfs/dbraw/zinc/43/21/85/919432185.db2.gz OQRDEZWQPAVKFC-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001367032439 919432477 /nfs/dbraw/zinc/43/24/77/919432477.db2.gz AFMGULSPDDOTCU-SNVBAGLBSA-N 1 1 324.389 -1.278 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001367032439 919432486 /nfs/dbraw/zinc/43/24/86/919432486.db2.gz AFMGULSPDDOTCU-SNVBAGLBSA-N 1 1 324.389 -1.278 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001367051666 919432565 /nfs/dbraw/zinc/43/25/65/919432565.db2.gz JNSHBVABJCQHAA-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367079904 919433915 /nfs/dbraw/zinc/43/39/15/919433915.db2.gz ZHCZNPACAOBMEA-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001367072509 919435526 /nfs/dbraw/zinc/43/55/26/919435526.db2.gz LAIRNXRHCCNPBS-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nncn1C ZINC001367117572 919436716 /nfs/dbraw/zinc/43/67/16/919436716.db2.gz XHIBUNLKXIOBNU-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367113503 919436900 /nfs/dbraw/zinc/43/69/00/919436900.db2.gz JDHAJTJSFTWKEP-SECBINFHSA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001367128843 919436954 /nfs/dbraw/zinc/43/69/54/919436954.db2.gz SOVBPRZBHQQDFN-SNVBAGLBSA-N 1 1 321.389 -1.044 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367113506 919439281 /nfs/dbraw/zinc/43/92/81/919439281.db2.gz JDHAJTJSFTWKEP-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001367101316 919439826 /nfs/dbraw/zinc/43/98/26/919439826.db2.gz OPDJFWHPHXCDAR-VIFPVBQESA-N 1 1 320.357 -1.398 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367253590 919445299 /nfs/dbraw/zinc/44/52/99/919445299.db2.gz GTUSMKWQRUTYBB-SECBINFHSA-N 1 1 323.357 -2.281 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC001367300768 919451837 /nfs/dbraw/zinc/45/18/37/919451837.db2.gz KRUUMCZDMNNAOC-GHMZBOCLSA-N 1 1 302.375 -1.233 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC001367300768 919451851 /nfs/dbraw/zinc/45/18/51/919451851.db2.gz KRUUMCZDMNNAOC-GHMZBOCLSA-N 1 1 302.375 -1.233 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305406 919455195 /nfs/dbraw/zinc/45/51/95/919455195.db2.gz GMCLEMAFJNUJDA-WDEREUQCSA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305406 919455204 /nfs/dbraw/zinc/45/52/04/919455204.db2.gz GMCLEMAFJNUJDA-WDEREUQCSA-N 1 1 323.415 -1.747 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC001367304947 919455819 /nfs/dbraw/zinc/45/58/19/919455819.db2.gz LSZUKOGPRYUZDC-RYUDHWBXSA-N 1 1 309.370 -1.118 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CC(=O)NC)CCO1 ZINC001367320317 919458178 /nfs/dbraw/zinc/45/81/78/919458178.db2.gz SXJSTTDEJLFSSY-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CCNC(N)=O)CCCC1 ZINC001367327022 919458280 /nfs/dbraw/zinc/45/82/80/919458280.db2.gz LCYMOYFDCPWBEH-UHFFFAOYSA-N 1 1 324.389 -1.213 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2ncnn2)n1 ZINC001367345409 919459701 /nfs/dbraw/zinc/45/97/01/919459701.db2.gz AODZFIMHUDSOBM-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COC[C@@H]2O)CC1 ZINC001367375469 919461312 /nfs/dbraw/zinc/46/13/12/919461312.db2.gz XKIGTKJSPUGXTN-MNOVXSKESA-N 1 1 300.359 -1.744 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001367381132 919461416 /nfs/dbraw/zinc/46/14/16/919461416.db2.gz WHCOVIICJQZHTR-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001367384642 919461958 /nfs/dbraw/zinc/46/19/58/919461958.db2.gz MRCGMFFDLLNUEE-QMMMGPOBSA-N 1 1 306.330 -1.456 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001367454530 919463800 /nfs/dbraw/zinc/46/38/00/919463800.db2.gz GCKJWSYCWGMXHQ-GXSJLCMTSA-N 1 1 311.390 -1.035 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001367454533 919464593 /nfs/dbraw/zinc/46/45/93/919464593.db2.gz GCKJWSYCWGMXHQ-KOLCDFICSA-N 1 1 311.390 -1.035 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001367431211 919465901 /nfs/dbraw/zinc/46/59/01/919465901.db2.gz YLOMUKCNURTTRP-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001367499064 919467440 /nfs/dbraw/zinc/46/74/40/919467440.db2.gz MSWUDYRZHQWMPW-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001367506911 919469147 /nfs/dbraw/zinc/46/91/47/919469147.db2.gz OUSMTACKTNSGOP-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1C ZINC001367478281 919469296 /nfs/dbraw/zinc/46/92/96/919469296.db2.gz HSYXYUVOYJTTFD-ZJUUUORDSA-N 1 1 309.374 -1.273 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001367485149 919469656 /nfs/dbraw/zinc/46/96/56/919469656.db2.gz PIZFEYLGKCLLFL-NEPJUHHUSA-N 1 1 318.443 -1.034 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1C ZINC001367478280 919470024 /nfs/dbraw/zinc/47/00/24/919470024.db2.gz HSYXYUVOYJTTFD-VHSXEESVSA-N 1 1 309.374 -1.273 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367536507 919472269 /nfs/dbraw/zinc/47/22/69/919472269.db2.gz OORKKYCBPBFEOK-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367536507 919472276 /nfs/dbraw/zinc/47/22/76/919472276.db2.gz OORKKYCBPBFEOK-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367530221 919472820 /nfs/dbraw/zinc/47/28/20/919472820.db2.gz ACAYCMPLJQZIQE-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367530221 919472826 /nfs/dbraw/zinc/47/28/26/919472826.db2.gz ACAYCMPLJQZIQE-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517026 919472969 /nfs/dbraw/zinc/47/29/69/919472969.db2.gz CTAHJUNXKQQOCK-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517026 919472977 /nfs/dbraw/zinc/47/29/77/919472977.db2.gz CTAHJUNXKQQOCK-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367530920 919473492 /nfs/dbraw/zinc/47/34/92/919473492.db2.gz CEOPNZXFLVKMSY-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367530920 919473500 /nfs/dbraw/zinc/47/35/00/919473500.db2.gz CEOPNZXFLVKMSY-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001367515437 919473512 /nfs/dbraw/zinc/47/35/12/919473512.db2.gz UWZDXSWZAINGJB-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001367519500 919473651 /nfs/dbraw/zinc/47/36/51/919473651.db2.gz MNYBXXOUORMLIB-LLVKDONJSA-N 1 1 315.374 -2.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367536527 919473754 /nfs/dbraw/zinc/47/37/54/919473754.db2.gz OORKKYCBPBFEOK-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367536527 919473766 /nfs/dbraw/zinc/47/37/66/919473766.db2.gz OORKKYCBPBFEOK-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001367542725 919477873 /nfs/dbraw/zinc/47/78/73/919477873.db2.gz ZBELJVJWDXVOHB-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001367542725 919477879 /nfs/dbraw/zinc/47/78/79/919477879.db2.gz ZBELJVJWDXVOHB-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001367544001 919478346 /nfs/dbraw/zinc/47/83/46/919478346.db2.gz ZMFRDVMIGURHKF-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001367544001 919478349 /nfs/dbraw/zinc/47/83/49/919478349.db2.gz ZMFRDVMIGURHKF-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccn[nH]1 ZINC001367569524 919479873 /nfs/dbraw/zinc/47/98/73/919479873.db2.gz PUGZGZIPESMVDT-SECBINFHSA-N 1 1 306.330 -1.388 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367570911 919480780 /nfs/dbraw/zinc/48/07/80/919480780.db2.gz LGZAOYFEZINODQ-LBPRGKRZSA-N 1 1 309.370 -1.170 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367571618 919480929 /nfs/dbraw/zinc/48/09/29/919480929.db2.gz KYODPGGPFJXSBY-JQWIXIFHSA-N 1 1 309.370 -1.124 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccn[nH]1 ZINC001367569525 919481052 /nfs/dbraw/zinc/48/10/52/919481052.db2.gz PUGZGZIPESMVDT-VIFPVBQESA-N 1 1 306.330 -1.388 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1=COCCO1)c1nncn1C ZINC001367573492 919483100 /nfs/dbraw/zinc/48/31/00/919483100.db2.gz OMWANUKUKGALHD-NXEZZACHSA-N 1 1 311.342 -1.169 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001367573538 919483842 /nfs/dbraw/zinc/48/38/42/919483842.db2.gz ULLDOHFVPIBNHW-PWSUYJOCSA-N 1 1 324.385 -1.609 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)c1nnnn1C ZINC001367574562 919484225 /nfs/dbraw/zinc/48/42/25/919484225.db2.gz WGGNSCZRLXUHQK-PSASIEDQSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1=COCCO1)c1nncn1C ZINC001367573494 919484628 /nfs/dbraw/zinc/48/46/28/919484628.db2.gz OMWANUKUKGALHD-UWVGGRQHSA-N 1 1 311.342 -1.169 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)c1nnnn1C ZINC001367574571 919484949 /nfs/dbraw/zinc/48/49/49/919484949.db2.gz WGGNSCZRLXUHQK-WPRPVWTQSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)cs1 ZINC001367572703 919485282 /nfs/dbraw/zinc/48/52/82/919485282.db2.gz YXFPUGDUARMSLT-SNVBAGLBSA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001367576846 919487412 /nfs/dbraw/zinc/48/74/12/919487412.db2.gz DJKOFTAMNXEIES-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001367579770 919488350 /nfs/dbraw/zinc/48/83/50/919488350.db2.gz FMQAOWTYMCSBFV-APPZFPTMSA-N 1 1 319.387 -1.715 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)c1N ZINC001367576112 919488878 /nfs/dbraw/zinc/48/88/78/919488878.db2.gz QJXNHNIQFYKFNT-VIFPVBQESA-N 1 1 305.342 -1.327 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001367579572 919489002 /nfs/dbraw/zinc/48/90/02/919489002.db2.gz FNCAGAWWEVEJFD-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367576495 919489257 /nfs/dbraw/zinc/48/92/57/919489257.db2.gz DIEHUSZKGDXRFM-GFCCVEGCSA-N 1 1 319.369 -1.277 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2=COCCO2)n1 ZINC001367580787 919490684 /nfs/dbraw/zinc/49/06/84/919490684.db2.gz YSUSQJVBKAHNAL-NSHDSACASA-N 1 1 311.342 -1.247 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2CCC(O)CC2)n1 ZINC001367580166 919490793 /nfs/dbraw/zinc/49/07/93/919490793.db2.gz KEACNVMDVFXGFZ-KGPNIALWSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001367580606 919491135 /nfs/dbraw/zinc/49/11/35/919491135.db2.gz LAQRCHZLTCSRAZ-GXSJLCMTSA-N 1 1 311.342 -1.665 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001367581531 919492240 /nfs/dbraw/zinc/49/22/40/919492240.db2.gz MARLDRGDKGGUKO-LBPRGKRZSA-N 1 1 307.354 -1.478 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001367580566 919492475 /nfs/dbraw/zinc/49/24/75/919492475.db2.gz LECLDPCLAJMAAB-SNVBAGLBSA-N 1 1 310.358 -2.045 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001367583437 919493919 /nfs/dbraw/zinc/49/39/19/919493919.db2.gz QILGTXLEMAPEDA-CHWSQXEVSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cnn1C ZINC001367584183 919494355 /nfs/dbraw/zinc/49/43/55/919494355.db2.gz QBDOMLKFIFLZKV-CYBMUJFWSA-N 1 1 321.385 -1.334 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001367582758 919495284 /nfs/dbraw/zinc/49/52/84/919495284.db2.gz BECLMXWNLAIYEV-MJVIPROJSA-N 1 1 324.385 -1.314 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001367585031 919495798 /nfs/dbraw/zinc/49/57/98/919495798.db2.gz OQBCIKSTVFLFFH-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO CCOC1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001367587376 919499060 /nfs/dbraw/zinc/49/90/60/919499060.db2.gz RSLRKPPXVWJELL-HSOILSAZSA-N 1 1 312.374 -1.408 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)n1 ZINC001367586130 919499086 /nfs/dbraw/zinc/49/90/86/919499086.db2.gz QNOZLEWCTVUUDX-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O ZINC001367590895 919500740 /nfs/dbraw/zinc/50/07/40/919500740.db2.gz BEQCYOXHMGSRJB-QMMMGPOBSA-N 1 1 320.375 -2.789 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C1CC1 ZINC001367588238 919501419 /nfs/dbraw/zinc/50/14/19/919501419.db2.gz YSLIZZUTSVBDMU-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO CCc1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367590214 919501554 /nfs/dbraw/zinc/50/15/54/919501554.db2.gz XANYJKKVCJDARI-QMMMGPOBSA-N 1 1 309.330 -1.359 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC001367591123 919501904 /nfs/dbraw/zinc/50/19/04/919501904.db2.gz XLBDICSQKHFVDJ-MNOVXSKESA-N 1 1 315.349 -1.149 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)n1 ZINC001367589065 919501942 /nfs/dbraw/zinc/50/19/42/919501942.db2.gz XQQDUIIYIQSKJZ-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001367588744 919502422 /nfs/dbraw/zinc/50/24/22/919502422.db2.gz RUZRVNYXFIJMOA-SECBINFHSA-N 1 1 319.387 -2.091 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)c1 ZINC001367588716 919503130 /nfs/dbraw/zinc/50/31/30/919503130.db2.gz RORYPLOBPGQIIX-LLVKDONJSA-N 1 1 307.358 -1.115 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)[C@H]1CCOC1 ZINC001367591127 919503171 /nfs/dbraw/zinc/50/31/71/919503171.db2.gz XLBDICSQKHFVDJ-WDEREUQCSA-N 1 1 315.349 -1.149 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593211 919505495 /nfs/dbraw/zinc/50/54/95/919505495.db2.gz JNJYCJCHYZPDOZ-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001367592937 919505525 /nfs/dbraw/zinc/50/55/25/919505525.db2.gz UWIKOJVZEVMSBO-QMMMGPOBSA-N 1 1 318.359 -3.179 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593215 919505772 /nfs/dbraw/zinc/50/57/72/919505772.db2.gz JNJYCJCHYZPDOZ-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)nn1 ZINC001367592629 919506066 /nfs/dbraw/zinc/50/60/66/919506066.db2.gz HIKATSLCGYTUGY-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367591593 919506261 /nfs/dbraw/zinc/50/62/61/919506261.db2.gz ZZQXDANQGOHSJT-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594840 919510098 /nfs/dbraw/zinc/51/00/98/919510098.db2.gz SMKUZAQNIQYHKJ-STQMWFEESA-N 1 1 312.414 -1.184 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001367600107 919513488 /nfs/dbraw/zinc/51/34/88/919513488.db2.gz NKVTTZNZVHLVGP-YGRLFVJLSA-N 1 1 324.385 -1.702 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001367601263 919516998 /nfs/dbraw/zinc/51/69/98/919516998.db2.gz BARYPXDJXGETNA-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)c1nncn1C ZINC001367602384 919517279 /nfs/dbraw/zinc/51/72/79/919517279.db2.gz OOPOGJBULNWQOE-BDAKNGLRSA-N 1 1 323.357 -1.304 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001367601388 919518143 /nfs/dbraw/zinc/51/81/43/919518143.db2.gz NINHHLDPMKUGOX-RKDXNWHRSA-N 1 1 310.358 -1.963 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001367606553 919519956 /nfs/dbraw/zinc/51/99/56/919519956.db2.gz LGWNLVWMFCFADN-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)n1 ZINC001367604945 919520679 /nfs/dbraw/zinc/52/06/79/919520679.db2.gz WHRAUQUCUDQOJC-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cncn2C)nn1 ZINC001367606560 919520981 /nfs/dbraw/zinc/52/09/81/919520981.db2.gz LNXXKRHFOKYZHN-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)cc1=O ZINC001367606222 919521863 /nfs/dbraw/zinc/52/18/63/919521863.db2.gz LAWJQGMDUNZNJK-SNVBAGLBSA-N 1 1 306.326 -1.616 20 0 DAADMO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2)C(N)=O ZINC001367604967 919522450 /nfs/dbraw/zinc/52/24/50/919522450.db2.gz JEVWYXAIKPOMAU-WCBMZHEXSA-N 1 1 309.370 -1.157 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2=NC(=O)N(C)C2)cn1 ZINC001367606523 919522495 /nfs/dbraw/zinc/52/24/95/919522495.db2.gz WEDSLCBWBWTDHO-SNVBAGLBSA-N 1 1 308.342 -1.260 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001367604450 919522677 /nfs/dbraw/zinc/52/26/77/919522677.db2.gz XUFKALUKBNGPAA-YGRLFVJLSA-N 1 1 324.385 -1.702 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1C ZINC001367607768 919523809 /nfs/dbraw/zinc/52/38/09/919523809.db2.gz UPMUAHNVDVSHBC-SNVBAGLBSA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)NC1CCCC1 ZINC001367607628 919525868 /nfs/dbraw/zinc/52/58/68/919525868.db2.gz MQXALCNJQMFCCF-KOLCDFICSA-N 1 1 324.385 -1.068 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cccc(=O)n2C)n1 ZINC001367612075 919527179 /nfs/dbraw/zinc/52/71/79/919527179.db2.gz WRXHIWQCWBNGIH-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)n1 ZINC001367610647 919529506 /nfs/dbraw/zinc/52/95/06/919529506.db2.gz NKMNULIFFRNMJC-ZYHUDNBSSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)c1nnnn1C ZINC001367614850 919531264 /nfs/dbraw/zinc/53/12/64/919531264.db2.gz GAWQZBXNUCQONG-WPRPVWTQSA-N 1 1 321.341 -1.248 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cccnn2)n1 ZINC001367616149 919532883 /nfs/dbraw/zinc/53/28/83/919532883.db2.gz SIYOPBHOBCIQLW-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001367621573 919535098 /nfs/dbraw/zinc/53/50/98/919535098.db2.gz LCQOVOCWRKAPGH-NSHDSACASA-N 1 1 305.342 -1.287 20 0 DAADMO CCc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c(C)o1 ZINC001367624293 919535148 /nfs/dbraw/zinc/53/51/48/919535148.db2.gz WBGVCRNHMDEATG-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001367620147 919537078 /nfs/dbraw/zinc/53/70/78/919537078.db2.gz JADUSAKOMWWGMQ-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367622039 919537098 /nfs/dbraw/zinc/53/70/98/919537098.db2.gz YUOTWNJJUCKERL-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO CCn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001367621612 919537577 /nfs/dbraw/zinc/53/75/77/919537577.db2.gz LPFYAJFFTCXOBZ-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001367626603 919539381 /nfs/dbraw/zinc/53/93/81/919539381.db2.gz ZXOIDGXUJMYABV-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001367626603 919539385 /nfs/dbraw/zinc/53/93/85/919539385.db2.gz ZXOIDGXUJMYABV-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001367627419 919539603 /nfs/dbraw/zinc/53/96/03/919539603.db2.gz VPZRXYBHSGDUDU-LLVKDONJSA-N 1 1 322.373 -1.303 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001367628409 919543947 /nfs/dbraw/zinc/54/39/47/919543947.db2.gz YEXJJYXVDLYHHE-WDEREUQCSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)o1 ZINC001367630001 919544282 /nfs/dbraw/zinc/54/42/82/919544282.db2.gz LRVHLIHTZMDKLS-JTQLQIEISA-N 1 1 323.353 -1.099 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001367628406 919544529 /nfs/dbraw/zinc/54/45/29/919544529.db2.gz YEXJJYXVDLYHHE-QWRGUYRKSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001367628403 919545119 /nfs/dbraw/zinc/54/51/19/919545119.db2.gz YEXJJYXVDLYHHE-MNOVXSKESA-N 1 1 322.373 -1.457 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001367632662 919547127 /nfs/dbraw/zinc/54/71/27/919547127.db2.gz VICHVQJTDGGMCI-SECBINFHSA-N 1 1 317.371 -2.408 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001367631423 919547455 /nfs/dbraw/zinc/54/74/55/919547455.db2.gz OXBMLXPCTWOXRC-QMMMGPOBSA-N 1 1 320.375 -3.069 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367671470 919552204 /nfs/dbraw/zinc/55/22/04/919552204.db2.gz GZZMORGGTKKZBD-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001367662445 919552684 /nfs/dbraw/zinc/55/26/84/919552684.db2.gz MCRXZWYYEOTVRJ-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001367685519 919553545 /nfs/dbraw/zinc/55/35/45/919553545.db2.gz SBPWXSRGLQKSCV-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001367680372 919554025 /nfs/dbraw/zinc/55/40/25/919554025.db2.gz TVPOSRFZWYGMJB-SFYZADRCSA-N 1 1 304.376 -1.763 20 0 DAADMO C[C@H](C[NH2+]Cc1ccon1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001367677964 919554047 /nfs/dbraw/zinc/55/40/47/919554047.db2.gz VVYKCHGEMCFKDT-SNVBAGLBSA-N 1 1 321.337 -1.171 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCCS(N)(=O)=O ZINC001367689913 919554333 /nfs/dbraw/zinc/55/43/33/919554333.db2.gz DHNOBPKSYMRMOE-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)Cc1nc[nH]n1 ZINC001367704972 919557844 /nfs/dbraw/zinc/55/78/44/919557844.db2.gz ITXFAFNFMRIQHN-MRVPVSSYSA-N 1 1 305.346 -1.037 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367711597 919559588 /nfs/dbraw/zinc/55/95/88/919559588.db2.gz UCVIVSHZKSSWBN-RKDXNWHRSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367714854 919559667 /nfs/dbraw/zinc/55/96/67/919559667.db2.gz HNYWZBZSTQPCPN-BBBLOLIVSA-N 1 1 324.389 -1.092 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367714909 919559727 /nfs/dbraw/zinc/55/97/27/919559727.db2.gz FTFJXVGXFGAXHL-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001367715630 919560246 /nfs/dbraw/zinc/56/02/46/919560246.db2.gz KHVFREPTEVSPRK-SSDOTTSWSA-N 1 1 304.376 -1.743 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001367717169 919562526 /nfs/dbraw/zinc/56/25/26/919562526.db2.gz UNDOCJFOAXIRPV-KOLCDFICSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001367726461 919563641 /nfs/dbraw/zinc/56/36/41/919563641.db2.gz SJXHZKOZXKAQBS-YUMQZZPRSA-N 1 1 310.362 -1.341 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001367716839 919563736 /nfs/dbraw/zinc/56/37/36/919563736.db2.gz RWOMVFJREYHLBL-BDAKNGLRSA-N 1 1 316.387 -1.618 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCCS(N)(=O)=O ZINC001367755788 919565897 /nfs/dbraw/zinc/56/58/97/919565897.db2.gz YCOVKNIKYWQHHU-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001367739859 919566069 /nfs/dbraw/zinc/56/60/69/919566069.db2.gz QNXKRDAPZALULO-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367783935 919568515 /nfs/dbraw/zinc/56/85/15/919568515.db2.gz AYNMPZXTPJOITO-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367783935 919568532 /nfs/dbraw/zinc/56/85/32/919568532.db2.gz AYNMPZXTPJOITO-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367772749 919569466 /nfs/dbraw/zinc/56/94/66/919569466.db2.gz DMVCAASEDACRGF-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CN1CCC(=O)NC1=O ZINC001367765694 919570185 /nfs/dbraw/zinc/57/01/85/919570185.db2.gz CDYBGDKNMVTGIA-QMMMGPOBSA-N 1 1 310.314 -1.394 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001367781785 919570680 /nfs/dbraw/zinc/57/06/80/919570680.db2.gz LDKUNCPEJWZMQX-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001367781785 919570694 /nfs/dbraw/zinc/57/06/94/919570694.db2.gz LDKUNCPEJWZMQX-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001367770421 919570983 /nfs/dbraw/zinc/57/09/83/919570983.db2.gz GQCLXZBITKJBLC-YUMQZZPRSA-N 1 1 318.403 -1.182 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)Cn1cncn1 ZINC001367772074 919571121 /nfs/dbraw/zinc/57/11/21/919571121.db2.gz ZIEVMSGLUGPRIE-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ncn[nH]1 ZINC001367762779 919571444 /nfs/dbraw/zinc/57/14/44/919571444.db2.gz KISAMHIWNPVQJX-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1nc[nH]n1 ZINC001367762779 919571453 /nfs/dbraw/zinc/57/14/53/919571453.db2.gz KISAMHIWNPVQJX-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001367806888 919572500 /nfs/dbraw/zinc/57/25/00/919572500.db2.gz RHGYSQWKIXEBCP-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001367806888 919572504 /nfs/dbraw/zinc/57/25/04/919572504.db2.gz RHGYSQWKIXEBCP-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001367803409 919572638 /nfs/dbraw/zinc/57/26/38/919572638.db2.gz IRRLEWLPKWMDCV-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001367803409 919572643 /nfs/dbraw/zinc/57/26/43/919572643.db2.gz IRRLEWLPKWMDCV-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H]1CCc2ncnn21)NC(=O)Cn1ncnn1 ZINC001367804344 919573700 /nfs/dbraw/zinc/57/37/00/919573700.db2.gz IZJZYWPIKWIFQU-MNOVXSKESA-N 1 1 319.373 -1.111 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367824899 919574005 /nfs/dbraw/zinc/57/40/05/919574005.db2.gz DCGGGYZPQGDGTK-ZJUUUORDSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367824899 919574017 /nfs/dbraw/zinc/57/40/17/919574017.db2.gz DCGGGYZPQGDGTK-ZJUUUORDSA-N 1 1 320.415 -1.461 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367806264 919574194 /nfs/dbraw/zinc/57/41/94/919574194.db2.gz VIKDONANSIZHFA-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367806264 919574204 /nfs/dbraw/zinc/57/42/04/919574204.db2.gz VIKDONANSIZHFA-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001367830310 919574620 /nfs/dbraw/zinc/57/46/20/919574620.db2.gz HVXKEHOBMSBIGL-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001367830310 919574633 /nfs/dbraw/zinc/57/46/33/919574633.db2.gz HVXKEHOBMSBIGL-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001367808567 919575000 /nfs/dbraw/zinc/57/50/00/919575000.db2.gz QAFXXGFSAVFASB-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001367808567 919575012 /nfs/dbraw/zinc/57/50/12/919575012.db2.gz QAFXXGFSAVFASB-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001367803411 919575369 /nfs/dbraw/zinc/57/53/69/919575369.db2.gz IRRLEWLPKWMDCV-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CCNS(C)(=O)=O ZINC001367803411 919575381 /nfs/dbraw/zinc/57/53/81/919575381.db2.gz IRRLEWLPKWMDCV-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001367795383 919575851 /nfs/dbraw/zinc/57/58/51/919575851.db2.gz SEEXMGXBHXVUPI-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001367795383 919575860 /nfs/dbraw/zinc/57/58/60/919575860.db2.gz SEEXMGXBHXVUPI-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367814808 919576018 /nfs/dbraw/zinc/57/60/18/919576018.db2.gz ORYMDAVFIZCUMH-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367814808 919576024 /nfs/dbraw/zinc/57/60/24/919576024.db2.gz ORYMDAVFIZCUMH-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001367790178 919576181 /nfs/dbraw/zinc/57/61/81/919576181.db2.gz HXLZSWDCGTZJBX-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001367790178 919576187 /nfs/dbraw/zinc/57/61/87/919576187.db2.gz HXLZSWDCGTZJBX-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001367857542 919577817 /nfs/dbraw/zinc/57/78/17/919577817.db2.gz WFWXGCKFYSAHEC-GXSJLCMTSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001367857542 919577828 /nfs/dbraw/zinc/57/78/28/919577828.db2.gz WFWXGCKFYSAHEC-GXSJLCMTSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001367857544 919578108 /nfs/dbraw/zinc/57/81/08/919578108.db2.gz WFWXGCKFYSAHEC-MWLCHTKSSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001367857544 919578114 /nfs/dbraw/zinc/57/81/14/919578114.db2.gz WFWXGCKFYSAHEC-MWLCHTKSSA-N 1 1 324.385 -1.785 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001367857680 919578565 /nfs/dbraw/zinc/57/85/65/919578565.db2.gz UALGNDVWPBBWHP-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001367857680 919578580 /nfs/dbraw/zinc/57/85/80/919578580.db2.gz UALGNDVWPBBWHP-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1nnn(C)n1 ZINC001367843126 919580100 /nfs/dbraw/zinc/58/01/00/919580100.db2.gz YYXBOSSDUWGXNW-SECBINFHSA-N 1 1 310.362 -1.715 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887787 919581503 /nfs/dbraw/zinc/58/15/03/919581503.db2.gz RWAXHGYLJUZIDD-GHMZBOCLSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887787 919581511 /nfs/dbraw/zinc/58/15/11/919581511.db2.gz RWAXHGYLJUZIDD-GHMZBOCLSA-N 1 1 311.386 -2.257 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367888042 919582514 /nfs/dbraw/zinc/58/25/14/919582514.db2.gz RWYGVJJSWRFQGV-MNOVXSKESA-N 1 1 313.402 -1.881 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1ccnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001367871451 919582667 /nfs/dbraw/zinc/58/26/67/919582667.db2.gz CAMUDZUJYJDYDJ-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001367871451 919582685 /nfs/dbraw/zinc/58/26/85/919582685.db2.gz CAMUDZUJYJDYDJ-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C[NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001367876298 919582717 /nfs/dbraw/zinc/58/27/17/919582717.db2.gz MDKMZCOSZOHUBY-KCJUWKMLSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870885 919583019 /nfs/dbraw/zinc/58/30/19/919583019.db2.gz VBRIUTKDJFFSKS-VHSXEESVSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870885 919583030 /nfs/dbraw/zinc/58/30/30/919583030.db2.gz VBRIUTKDJFFSKS-VHSXEESVSA-N 1 1 309.370 -1.338 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001367919276 919583726 /nfs/dbraw/zinc/58/37/26/919583726.db2.gz BKORAVGQUVAKCE-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)Cn1cncn1 ZINC001367914123 919583838 /nfs/dbraw/zinc/58/38/38/919583838.db2.gz SAXZXODDKUQTGS-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)Cn1cncn1 ZINC001367914123 919583846 /nfs/dbraw/zinc/58/38/46/919583846.db2.gz SAXZXODDKUQTGS-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001367942204 919588806 /nfs/dbraw/zinc/58/88/06/919588806.db2.gz XNQQASAFTPAFAG-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001367942884 919588956 /nfs/dbraw/zinc/58/89/56/919588956.db2.gz FICHHEZLVKOCFD-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001367955547 919594405 /nfs/dbraw/zinc/59/44/05/919594405.db2.gz UWNYEAUTBCTYLW-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001367955547 919594414 /nfs/dbraw/zinc/59/44/14/919594414.db2.gz UWNYEAUTBCTYLW-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)n1cncn1 ZINC001368000796 919599236 /nfs/dbraw/zinc/59/92/36/919599236.db2.gz UKNURDURFIPIAQ-VIFPVBQESA-N 1 1 320.357 -1.301 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3cnccn3)CC2)nc1=O ZINC001367982090 919599898 /nfs/dbraw/zinc/59/98/98/919599898.db2.gz ZOABGHHRAOFJON-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1)c1nncn1C ZINC001368022508 919603364 /nfs/dbraw/zinc/60/33/64/919603364.db2.gz LTHREKFHUQZFMC-DTWKUNHWSA-N 1 1 307.358 -1.204 20 0 DAADMO CN1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368012676 919603698 /nfs/dbraw/zinc/60/36/98/919603698.db2.gz JSIHPGFZGBSILM-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001368052885 919609503 /nfs/dbraw/zinc/60/95/03/919609503.db2.gz NBJUYCHEPONQIC-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001368052885 919609516 /nfs/dbraw/zinc/60/95/16/919609516.db2.gz NBJUYCHEPONQIC-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H](C)NC(N)=O)C1 ZINC001368074161 919611635 /nfs/dbraw/zinc/61/16/35/919611635.db2.gz FDXAFZQSOUHNRK-GXSJLCMTSA-N 1 1 302.375 -1.417 20 0 DAADMO COC[C@@H](O)CN1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001368094038 919614134 /nfs/dbraw/zinc/61/41/34/919614134.db2.gz WCQKOBLJDBCXAA-AWEZNQCLSA-N 1 1 315.414 -1.141 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001368082859 919615581 /nfs/dbraw/zinc/61/55/81/919615581.db2.gz HAJCVERPEGZUMM-CABZTGNLSA-N 1 1 314.386 -1.456 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368160155 919621051 /nfs/dbraw/zinc/62/10/51/919621051.db2.gz WAWPLXQKWQJKFI-YGRLFVJLSA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1ccc(CC(=O)N[C@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001368150523 919621630 /nfs/dbraw/zinc/62/16/30/919621630.db2.gz HKJGAGYVECRAPA-CQSZACIVSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1ccc(CC(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001368150523 919621642 /nfs/dbraw/zinc/62/16/42/919621642.db2.gz HKJGAGYVECRAPA-CQSZACIVSA-N 1 1 322.369 -1.262 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001368156377 919621790 /nfs/dbraw/zinc/62/17/90/919621790.db2.gz TXVXFISROMFALX-OPQQBVKSSA-N 1 1 302.375 -1.369 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001368159834 919622391 /nfs/dbraw/zinc/62/23/91/919622391.db2.gz MWYOYBYQORILRZ-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001368159834 919622402 /nfs/dbraw/zinc/62/24/02/919622402.db2.gz MWYOYBYQORILRZ-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001368152431 919623035 /nfs/dbraw/zinc/62/30/35/919623035.db2.gz LFXCKEIXPWLQLX-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001368152431 919623047 /nfs/dbraw/zinc/62/30/47/919623047.db2.gz LFXCKEIXPWLQLX-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)C2CC2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368156717 919623250 /nfs/dbraw/zinc/62/32/50/919623250.db2.gz MCNHPADCAUEWBY-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)C2CC2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368156717 919623259 /nfs/dbraw/zinc/62/32/59/919623259.db2.gz MCNHPADCAUEWBY-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163620 919623510 /nfs/dbraw/zinc/62/35/10/919623510.db2.gz QFNZMYWDXPVWLB-YGRLFVJLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163620 919623512 /nfs/dbraw/zinc/62/35/12/919623512.db2.gz QFNZMYWDXPVWLB-YGRLFVJLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001368151182 919623671 /nfs/dbraw/zinc/62/36/71/919623671.db2.gz JCKWGUMWABGPHK-XHDPSFHLSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@H+](CC(N)=O)C1 ZINC001368170817 919623952 /nfs/dbraw/zinc/62/39/52/919623952.db2.gz DDYHEYSRRZHTFQ-ZDUSSCGKSA-N 1 1 311.342 -2.006 20 0 DAADMO C[C@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+](CC(N)=O)C1 ZINC001368170817 919623958 /nfs/dbraw/zinc/62/39/58/919623958.db2.gz DDYHEYSRRZHTFQ-ZDUSSCGKSA-N 1 1 311.342 -2.006 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001368159832 919624135 /nfs/dbraw/zinc/62/41/35/919624135.db2.gz MWYOYBYQORILRZ-ISVAXAHUSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001368159832 919624146 /nfs/dbraw/zinc/62/41/46/919624146.db2.gz MWYOYBYQORILRZ-ISVAXAHUSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368150533 919624214 /nfs/dbraw/zinc/62/42/14/919624214.db2.gz HPICZWLJGWMNNI-ZDUSSCGKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368150533 919624229 /nfs/dbraw/zinc/62/42/29/919624229.db2.gz HPICZWLJGWMNNI-ZDUSSCGKSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001368223989 919627238 /nfs/dbraw/zinc/62/72/38/919627238.db2.gz RXOREEBHUYBOPL-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001368223989 919627247 /nfs/dbraw/zinc/62/72/47/919627247.db2.gz RXOREEBHUYBOPL-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)Cn3cncn3)C2)n1 ZINC001368191104 919627417 /nfs/dbraw/zinc/62/74/17/919627417.db2.gz CTJKAWXLJJRHRF-ZDUSSCGKSA-N 1 1 319.373 -1.170 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001368244597 919629943 /nfs/dbraw/zinc/62/99/43/919629943.db2.gz JTWRQQSMVIQGPF-SMDDNHRTSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001368244597 919629952 /nfs/dbraw/zinc/62/99/52/919629952.db2.gz JTWRQQSMVIQGPF-SMDDNHRTSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COC)C1 ZINC001368243966 919629975 /nfs/dbraw/zinc/62/99/75/919629975.db2.gz GHTCPTHPZZMHDE-LBPRGKRZSA-N 1 1 302.331 -2.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COC)C1 ZINC001368243966 919629982 /nfs/dbraw/zinc/62/99/82/919629982.db2.gz GHTCPTHPZZMHDE-LBPRGKRZSA-N 1 1 302.331 -2.359 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368239625 919630680 /nfs/dbraw/zinc/63/06/80/919630680.db2.gz GUUMGNPYEAZKKG-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368239625 919630687 /nfs/dbraw/zinc/63/06/87/919630687.db2.gz GUUMGNPYEAZKKG-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COC)C1 ZINC001368243964 919630918 /nfs/dbraw/zinc/63/09/18/919630918.db2.gz GHTCPTHPZZMHDE-GFCCVEGCSA-N 1 1 302.331 -2.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COC)C1 ZINC001368243964 919630930 /nfs/dbraw/zinc/63/09/30/919630930.db2.gz GHTCPTHPZZMHDE-GFCCVEGCSA-N 1 1 302.331 -2.359 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001368244592 919631576 /nfs/dbraw/zinc/63/15/76/919631576.db2.gz CEROSTZNWIGWCD-SMDDNHRTSA-N 1 1 324.385 -1.272 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001368242305 919631713 /nfs/dbraw/zinc/63/17/13/919631713.db2.gz AUALWKAGGOOQJJ-ABAIWWIYSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001368242305 919631724 /nfs/dbraw/zinc/63/17/24/919631724.db2.gz AUALWKAGGOOQJJ-ABAIWWIYSA-N 1 1 323.397 -1.128 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001368238765 919631838 /nfs/dbraw/zinc/63/18/38/919631838.db2.gz FUYNPOYQCMQCRJ-TZMCWYRMSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001368238760 919632062 /nfs/dbraw/zinc/63/20/62/919632062.db2.gz FUYNPOYQCMQCRJ-OCCSQVGLSA-N 1 1 324.385 -1.347 20 0 DAADMO CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2nnc[nH]2)CCOCC1 ZINC001368235849 919632894 /nfs/dbraw/zinc/63/28/94/919632894.db2.gz LDEVLLRNBBZOBM-UHFFFAOYSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001368245644 919634303 /nfs/dbraw/zinc/63/43/03/919634303.db2.gz MNWIJSQDDDCAEU-BXUZGUMPSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368249084 919634326 /nfs/dbraw/zinc/63/43/26/919634326.db2.gz SYCLLOJLARFIFB-DOMZBBRYSA-N 1 1 322.413 -1.038 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001368246076 919635080 /nfs/dbraw/zinc/63/50/80/919635080.db2.gz LQOFKMNCCADMSU-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001368246076 919635086 /nfs/dbraw/zinc/63/50/86/919635086.db2.gz LQOFKMNCCADMSU-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001368245379 919635301 /nfs/dbraw/zinc/63/53/01/919635301.db2.gz LDQPPMJLVPBFFQ-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001368245379 919635309 /nfs/dbraw/zinc/63/53/09/919635309.db2.gz LDQPPMJLVPBFFQ-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnnc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368249091 919635436 /nfs/dbraw/zinc/63/54/36/919635436.db2.gz SYCLLOJLARFIFB-SWLSCSKDSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001368247112 919635539 /nfs/dbraw/zinc/63/55/39/919635539.db2.gz PGEBNBNSWMRBCN-IINYFYTJSA-N 1 1 320.353 -1.328 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001368247345 919636025 /nfs/dbraw/zinc/63/60/25/919636025.db2.gz HWGPOPCYCLCCCJ-IINYFYTJSA-N 1 1 324.385 -1.527 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368249523 919637408 /nfs/dbraw/zinc/63/74/08/919637408.db2.gz LKCPHWXMAWLEFW-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368249523 919637427 /nfs/dbraw/zinc/63/74/27/919637427.db2.gz LKCPHWXMAWLEFW-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1=O ZINC001368254280 919638663 /nfs/dbraw/zinc/63/86/63/919638663.db2.gz WFCQFNOCNSRGIP-CYBMUJFWSA-N 1 1 313.358 -2.483 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001368251168 919638915 /nfs/dbraw/zinc/63/89/15/919638915.db2.gz YRDQSQRZEDJMFX-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256199 919640654 /nfs/dbraw/zinc/64/06/54/919640654.db2.gz JMEFGKSSYPWVGQ-OQPBUACISA-N 1 1 311.342 -1.834 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256199 919640661 /nfs/dbraw/zinc/64/06/61/919640661.db2.gz JMEFGKSSYPWVGQ-OQPBUACISA-N 1 1 311.342 -1.834 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001368250975 919640747 /nfs/dbraw/zinc/64/07/47/919640747.db2.gz NCIOBLGWOSXXNN-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001368252389 919640884 /nfs/dbraw/zinc/64/08/84/919640884.db2.gz FURZKMLNDVJWIJ-YMTOWFKASA-N 1 1 323.353 -1.517 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001368257177 919641288 /nfs/dbraw/zinc/64/12/88/919641288.db2.gz ZAQJHTDENINFJQ-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001368250739 919641163 /nfs/dbraw/zinc/64/11/63/919641163.db2.gz NWDMTJGJJVFDHD-FZMZJTMJSA-N 1 1 314.386 -1.495 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368256398 919641795 /nfs/dbraw/zinc/64/17/95/919641795.db2.gz AOTYFQVWFYSGFN-RNCFNFMXSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368256398 919641811 /nfs/dbraw/zinc/64/18/11/919641811.db2.gz AOTYFQVWFYSGFN-RNCFNFMXSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CCOC3CCC3)C2)n1 ZINC001368260548 919642639 /nfs/dbraw/zinc/64/26/39/919642639.db2.gz DARDWCVUSORYRJ-CQSZACIVSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368263235 919642838 /nfs/dbraw/zinc/64/28/38/919642838.db2.gz QWBSQHQVZYIFNS-ZDUSSCGKSA-N 1 1 300.359 -2.053 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368261737 919643042 /nfs/dbraw/zinc/64/30/42/919643042.db2.gz PFLBPZVCZXRGPP-HNNXBMFYSA-N 1 1 324.381 -1.031 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](C(C)C)C1 ZINC001368261624 919643761 /nfs/dbraw/zinc/64/37/61/919643761.db2.gz OKIVPAGSWBENNP-CQSZACIVSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001368259836 919644009 /nfs/dbraw/zinc/64/40/09/919644009.db2.gz RGVLYYUSPADIIV-ZDUSSCGKSA-N 1 1 311.342 -1.651 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001368259836 919644020 /nfs/dbraw/zinc/64/40/20/919644020.db2.gz RGVLYYUSPADIIV-ZDUSSCGKSA-N 1 1 311.342 -1.651 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)NC1=O ZINC001368257758 919644085 /nfs/dbraw/zinc/64/40/85/919644085.db2.gz NECKDBGTGMQHLJ-ZWNOBZJWSA-N 1 1 302.350 -1.077 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3ncnn32)C1 ZINC001368263783 919644176 /nfs/dbraw/zinc/64/41/76/919644176.db2.gz KJGAXHJINRDIFC-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3ncnn32)C1 ZINC001368263783 919644187 /nfs/dbraw/zinc/64/41/87/919644187.db2.gz KJGAXHJINRDIFC-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001368261543 919644737 /nfs/dbraw/zinc/64/47/37/919644737.db2.gz UZPIZURMWZCYJD-RISCZKNCSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cnc2n1CCOC2 ZINC001368261715 919645166 /nfs/dbraw/zinc/64/51/66/919645166.db2.gz RVRPLABZRWVSSY-OAHLLOKOSA-N 1 1 324.381 -1.038 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267542 919649134 /nfs/dbraw/zinc/64/91/34/919649134.db2.gz PICPUQUBWGQBSL-UFBFGSQYSA-N 1 1 311.346 -2.489 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267542 919649147 /nfs/dbraw/zinc/64/91/47/919649147.db2.gz PICPUQUBWGQBSL-UFBFGSQYSA-N 1 1 311.346 -2.489 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267579 919649229 /nfs/dbraw/zinc/64/92/29/919649229.db2.gz ZWXOAUZSMDRIJZ-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267579 919649236 /nfs/dbraw/zinc/64/92/36/919649236.db2.gz ZWXOAUZSMDRIJZ-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO CCCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1=O ZINC001368265741 919649269 /nfs/dbraw/zinc/64/92/69/919649269.db2.gz ZVJNGWRSXWEFBQ-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267581 919649392 /nfs/dbraw/zinc/64/93/92/919649392.db2.gz ZWXOAUZSMDRIJZ-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267581 919649402 /nfs/dbraw/zinc/64/94/02/919649402.db2.gz ZWXOAUZSMDRIJZ-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC[C@@H]3CCOC3)C2)n1 ZINC001368268548 919649646 /nfs/dbraw/zinc/64/96/46/919649646.db2.gz RWBDLSGQLPZQQM-RISCZKNCSA-N 1 1 324.385 -1.197 20 0 DAADMO Cc1cc(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)no1 ZINC001368270064 919649675 /nfs/dbraw/zinc/64/96/75/919649675.db2.gz OOVMUUHEDUVETO-CQSZACIVSA-N 1 1 310.354 -1.046 20 0 DAADMO Cc1cc(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)no1 ZINC001368270064 919649684 /nfs/dbraw/zinc/64/96/84/919649684.db2.gz OOVMUUHEDUVETO-CQSZACIVSA-N 1 1 310.354 -1.046 20 0 DAADMO CCCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1=O ZINC001368265738 919649710 /nfs/dbraw/zinc/64/97/10/919649710.db2.gz ZVJNGWRSXWEFBQ-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)c3cnnn3C)C2)cn1 ZINC001368267256 919649749 /nfs/dbraw/zinc/64/97/49/919649749.db2.gz RDDBLQIWJKKGRU-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CC(F)(F)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368268103 919650503 /nfs/dbraw/zinc/65/05/03/919650503.db2.gz JJRIIEIOZWOWMZ-LBPRGKRZSA-N 1 1 322.312 -1.220 20 0 DAADMO CC(F)(F)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368268103 919650516 /nfs/dbraw/zinc/65/05/16/919650516.db2.gz JJRIIEIOZWOWMZ-LBPRGKRZSA-N 1 1 322.312 -1.220 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC[C@@H]3CCOC3)C2)n1 ZINC001368268533 919650840 /nfs/dbraw/zinc/65/08/40/919650840.db2.gz RWBDLSGQLPZQQM-BXUZGUMPSA-N 1 1 324.385 -1.197 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368265411 919651261 /nfs/dbraw/zinc/65/12/61/919651261.db2.gz YUGCNYAIKNBBID-MWLCHTKSSA-N 1 1 309.388 -2.531 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1cn[nH]n1 ZINC001368267584 919651491 /nfs/dbraw/zinc/65/14/91/919651491.db2.gz ZXCGWMUMMRAQAD-CQSZACIVSA-N 1 1 322.369 -1.503 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001368268421 919651630 /nfs/dbraw/zinc/65/16/30/919651630.db2.gz BNZXGWQYWHPVOX-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001368265036 919652010 /nfs/dbraw/zinc/65/20/10/919652010.db2.gz TUBBXPCFMUCUCU-OAHLLOKOSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccncn1 ZINC001368271936 919653480 /nfs/dbraw/zinc/65/34/80/919653480.db2.gz IVTFTXMJOBVXCJ-IUODEOHRSA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001368274249 919653662 /nfs/dbraw/zinc/65/36/62/919653662.db2.gz XKJJBGMVOFVLBF-ZDUSSCGKSA-N 1 1 320.357 -1.727 20 0 DAADMO C[C@@H](Oc1ccccn1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368275388 919653740 /nfs/dbraw/zinc/65/37/40/919653740.db2.gz GLWTXYIUDXSEDF-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](Oc1ccccn1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368275388 919653749 /nfs/dbraw/zinc/65/37/49/919653749.db2.gz GLWTXYIUDXSEDF-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccn3ccnc23)C1 ZINC001368272284 919654011 /nfs/dbraw/zinc/65/40/11/919654011.db2.gz OLOAACNLMJYLBB-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccn3ccnc23)C1 ZINC001368272284 919654022 /nfs/dbraw/zinc/65/40/22/919654022.db2.gz OLOAACNLMJYLBB-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3cccnn32)C1 ZINC001368275838 919654424 /nfs/dbraw/zinc/65/44/24/919654424.db2.gz ZYZWBIOGHCZJQD-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3cccnn32)C1 ZINC001368275838 919654437 /nfs/dbraw/zinc/65/44/37/919654437.db2.gz ZYZWBIOGHCZJQD-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001368276136 919654643 /nfs/dbraw/zinc/65/46/43/919654643.db2.gz LUMBSGQZOBUEIB-BONVTDFDSA-N 1 1 322.365 -1.272 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273719 919654914 /nfs/dbraw/zinc/65/49/14/919654914.db2.gz QNQOCVLBRIMVRC-MFKMUULPSA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273719 919654933 /nfs/dbraw/zinc/65/49/33/919654933.db2.gz QNQOCVLBRIMVRC-MFKMUULPSA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273717 919655182 /nfs/dbraw/zinc/65/51/82/919655182.db2.gz QNQOCVLBRIMVRC-GXFFZTMASA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273717 919655193 /nfs/dbraw/zinc/65/51/93/919655193.db2.gz QNQOCVLBRIMVRC-GXFFZTMASA-N 1 1 309.326 -1.533 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001368270971 919655334 /nfs/dbraw/zinc/65/53/34/919655334.db2.gz CVNQVZJDELYMTI-RISCZKNCSA-N 1 1 310.354 -1.350 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccn3ccnc23)C1 ZINC001368272282 919655385 /nfs/dbraw/zinc/65/53/85/919655385.db2.gz OLOAACNLMJYLBB-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccn3ccnc23)C1 ZINC001368272282 919655392 /nfs/dbraw/zinc/65/53/92/919655392.db2.gz OLOAACNLMJYLBB-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)cn1 ZINC001368272783 919655665 /nfs/dbraw/zinc/65/56/65/919655665.db2.gz NPMXFVXJSSGHBD-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)cn1 ZINC001368272783 919655672 /nfs/dbraw/zinc/65/56/72/919655672.db2.gz NPMXFVXJSSGHBD-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)cn1 ZINC001368272783 919655683 /nfs/dbraw/zinc/65/56/83/919655683.db2.gz NPMXFVXJSSGHBD-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 ZINC001368272783 919655692 /nfs/dbraw/zinc/65/56/92/919655692.db2.gz NPMXFVXJSSGHBD-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 ZINC001368272783 919655701 /nfs/dbraw/zinc/65/57/01/919655701.db2.gz NPMXFVXJSSGHBD-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccncn1 ZINC001368271937 919656000 /nfs/dbraw/zinc/65/60/00/919656000.db2.gz IVTFTXMJOBVXCJ-SWLSCSKDSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001368270967 919656111 /nfs/dbraw/zinc/65/61/11/919656111.db2.gz CVNQVZJDELYMTI-BXUZGUMPSA-N 1 1 310.354 -1.350 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273721 919656275 /nfs/dbraw/zinc/65/62/75/919656275.db2.gz QNQOCVLBRIMVRC-ZWNOBZJWSA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273721 919656293 /nfs/dbraw/zinc/65/62/93/919656293.db2.gz QNQOCVLBRIMVRC-ZWNOBZJWSA-N 1 1 309.326 -1.533 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001368276036 919656519 /nfs/dbraw/zinc/65/65/19/919656519.db2.gz MQASHXGMIJMIHC-DGCLKSJQSA-N 1 1 320.411 -1.237 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001368276036 919656533 /nfs/dbraw/zinc/65/65/33/919656533.db2.gz MQASHXGMIJMIHC-DGCLKSJQSA-N 1 1 320.411 -1.237 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3cccnn32)C1 ZINC001368275843 919656572 /nfs/dbraw/zinc/65/65/72/919656572.db2.gz ZYZWBIOGHCZJQD-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3cccnn32)C1 ZINC001368275843 919656584 /nfs/dbraw/zinc/65/65/84/919656584.db2.gz ZYZWBIOGHCZJQD-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)n(C)c1=O ZINC001368277993 919658370 /nfs/dbraw/zinc/65/83/70/919658370.db2.gz URMVHKWXHNHJGH-CYBMUJFWSA-N 1 1 300.334 -1.140 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)n(C)c1=O ZINC001368277993 919658379 /nfs/dbraw/zinc/65/83/79/919658379.db2.gz URMVHKWXHNHJGH-CYBMUJFWSA-N 1 1 300.334 -1.140 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001368277793 919659772 /nfs/dbraw/zinc/65/97/72/919659772.db2.gz SPOPKQHDLUKNOS-PWSUYJOCSA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368285260 919662378 /nfs/dbraw/zinc/66/23/78/919662378.db2.gz WVACRHLHRYITBJ-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368285260 919662399 /nfs/dbraw/zinc/66/23/99/919662399.db2.gz WVACRHLHRYITBJ-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368285465 919662456 /nfs/dbraw/zinc/66/24/56/919662456.db2.gz LCXZKKKYVIUVPT-IINYFYTJSA-N 1 1 310.354 -1.672 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368285255 919662721 /nfs/dbraw/zinc/66/27/21/919662721.db2.gz WVACRHLHRYITBJ-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368285255 919662735 /nfs/dbraw/zinc/66/27/35/919662735.db2.gz WVACRHLHRYITBJ-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368285469 919663253 /nfs/dbraw/zinc/66/32/53/919663253.db2.gz LCXZKKKYVIUVPT-QMTHXVAHSA-N 1 1 310.354 -1.672 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001368284042 919663568 /nfs/dbraw/zinc/66/35/68/919663568.db2.gz IHRZAYRLFUDODT-GXFFZTMASA-N 1 1 318.374 -2.395 20 0 DAADMO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)c1c[nH]cn1 ZINC001368283962 919663776 /nfs/dbraw/zinc/66/37/76/919663776.db2.gz WPQSDQVRBPLUFD-CQSZACIVSA-N 1 1 309.370 -1.274 20 0 DAADMO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)c1c[nH]cn1 ZINC001368283962 919663785 /nfs/dbraw/zinc/66/37/85/919663785.db2.gz WPQSDQVRBPLUFD-CQSZACIVSA-N 1 1 309.370 -1.274 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368286898 919666444 /nfs/dbraw/zinc/66/64/44/919666444.db2.gz DVTAZHITJWPMBP-NSHDSACASA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368286898 919666449 /nfs/dbraw/zinc/66/64/49/919666449.db2.gz DVTAZHITJWPMBP-NSHDSACASA-N 1 1 324.385 -2.191 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001368288747 919666967 /nfs/dbraw/zinc/66/69/67/919666967.db2.gz HWVJPBHVEGGOSR-LBPRGKRZSA-N 1 1 311.382 -1.336 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368292277 919669079 /nfs/dbraw/zinc/66/90/79/919669079.db2.gz YOEACNRPECSCOS-ZFWWWQNUSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368292277 919669084 /nfs/dbraw/zinc/66/90/84/919669084.db2.gz YOEACNRPECSCOS-ZFWWWQNUSA-N 1 1 315.414 -1.500 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368298653 919676577 /nfs/dbraw/zinc/67/65/77/919676577.db2.gz JSUXMTJCFNQWIC-LLVKDONJSA-N 1 1 312.414 -1.232 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001368302505 919679997 /nfs/dbraw/zinc/67/99/97/919679997.db2.gz PIEPMHSXBRXSQA-UHFFFAOYSA-N 1 1 306.388 -2.387 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001368302894 919681402 /nfs/dbraw/zinc/68/14/02/919681402.db2.gz LVZAJGYOGXNRHU-SNVBAGLBSA-N 1 1 310.354 -1.061 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)c1 ZINC001368317792 919692291 /nfs/dbraw/zinc/69/22/91/919692291.db2.gz IRRLSDVSRCUUNA-JTQLQIEISA-N 1 1 322.365 -1.073 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CC(=O)N(C)C)C2)C1 ZINC001368317278 919692784 /nfs/dbraw/zinc/69/27/84/919692784.db2.gz ZGWDHCHAUBNAKL-LBPRGKRZSA-N 1 1 312.414 -1.421 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001368318431 919692938 /nfs/dbraw/zinc/69/29/38/919692938.db2.gz HYOMOSGCNXBIHD-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001368321721 919694163 /nfs/dbraw/zinc/69/41/63/919694163.db2.gz TUWQEZSYOSBJKH-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001368322383 919694345 /nfs/dbraw/zinc/69/43/45/919694345.db2.gz WVUQWDKFNOIRPR-LLVKDONJSA-N 1 1 300.403 -1.245 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001368322256 919696664 /nfs/dbraw/zinc/69/66/64/919696664.db2.gz QNNUIBSUYRFLGM-LLVKDONJSA-N 1 1 300.403 -1.245 20 0 DAADMO O=C(NCC1(O)C[NH+](CC2CCC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001368326469 919697888 /nfs/dbraw/zinc/69/78/88/919697888.db2.gz PSXBGYZXEMCBGC-NSHDSACASA-N 1 1 317.411 -1.359 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001368325180 919698271 /nfs/dbraw/zinc/69/82/71/919698271.db2.gz GEVMFUISDQGTOQ-AXFHLTTASA-N 1 1 311.386 -1.240 20 0 DAADMO O=C(NCC1(O)C[NH+](CC2CCC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001368326468 919698469 /nfs/dbraw/zinc/69/84/69/919698469.db2.gz PSXBGYZXEMCBGC-LLVKDONJSA-N 1 1 317.411 -1.359 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@@H](C)C(=O)N(C)C)C1 ZINC001368331021 919698953 /nfs/dbraw/zinc/69/89/53/919698953.db2.gz VHLVDGQUXJJOIF-LBPRGKRZSA-N 1 1 314.430 -1.034 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c1=O ZINC001368325910 919699019 /nfs/dbraw/zinc/69/90/19/919699019.db2.gz JYWDDIRYYZPNBH-AVGNSLFASA-N 1 1 323.397 -1.067 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(N)=O)C2 ZINC001368325184 919699215 /nfs/dbraw/zinc/69/92/15/919699215.db2.gz GEVMFUISDQGTOQ-DCAQKATOSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001368359305 919700894 /nfs/dbraw/zinc/70/08/94/919700894.db2.gz YTQPPZHNRHWSGO-GARJFASQSA-N 1 1 321.385 -1.238 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001368347825 919701510 /nfs/dbraw/zinc/70/15/10/919701510.db2.gz YUIDSTIBSFTDHD-MWLCHTKSSA-N 1 1 309.374 -1.327 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001368362797 919703206 /nfs/dbraw/zinc/70/32/06/919703206.db2.gz HYKCYOUCGGSUHF-TXEJJXNPSA-N 1 1 319.427 -1.350 20 0 DAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001368361156 919703263 /nfs/dbraw/zinc/70/32/63/919703263.db2.gz SCPDXGODTZSQCB-UHFFFAOYSA-N 1 1 309.374 -1.997 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368373660 919706793 /nfs/dbraw/zinc/70/67/93/919706793.db2.gz HOQRHBYGJOGFHA-TZMCWYRMSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001368380866 919708773 /nfs/dbraw/zinc/70/87/73/919708773.db2.gz QZQHVDVEVFBZGT-TVQRCGJNSA-N 1 1 314.342 -2.480 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368381855 919709111 /nfs/dbraw/zinc/70/91/11/919709111.db2.gz PTKJXDYSFQQRKX-ZDUSSCGKSA-N 1 1 310.358 -1.660 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001368380080 919709460 /nfs/dbraw/zinc/70/94/60/919709460.db2.gz OGTWIVIFZKNGGT-TZMCWYRMSA-N 1 1 317.386 -1.927 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001368383168 919710189 /nfs/dbraw/zinc/71/01/89/919710189.db2.gz BONLHLZRVACTMB-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001368389671 919710894 /nfs/dbraw/zinc/71/08/94/919710894.db2.gz LCWVBNDWYYDHRH-CQSZACIVSA-N 1 1 301.387 -1.033 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001368383165 919711313 /nfs/dbraw/zinc/71/13/13/919711313.db2.gz BONLHLZRVACTMB-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CCc1cnc[nH]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001368392974 919714887 /nfs/dbraw/zinc/71/48/87/919714887.db2.gz CGCBFRIKKOYXMQ-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)n1 ZINC001368408416 919718287 /nfs/dbraw/zinc/71/82/87/919718287.db2.gz SXDOKJKRKYYPIM-OCAPTIKFSA-N 1 1 322.329 -2.591 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cncn1C)c1nnnn1C ZINC001368400506 919719739 /nfs/dbraw/zinc/71/97/39/919719739.db2.gz TUASUKHIEZVELR-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001368403760 919719894 /nfs/dbraw/zinc/71/98/94/919719894.db2.gz WCCSRCHFERYVIQ-WDEREUQCSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1nn(CC(=O)N(C)C[C@H]2CC[N@H+]2CCCO)c(=O)n1C ZINC001368438355 919720900 /nfs/dbraw/zinc/72/09/00/919720900.db2.gz UBNYACZVXPMWSH-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001368425095 919723117 /nfs/dbraw/zinc/72/31/17/919723117.db2.gz OYYFVNRTJPFWIC-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001368508726 919732812 /nfs/dbraw/zinc/73/28/12/919732812.db2.gz CRLUFMTVWWTOKU-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001368512818 919735220 /nfs/dbraw/zinc/73/52/20/919735220.db2.gz XZIUIPMHIYFUJA-ZYHUDNBSSA-N 1 1 324.385 -1.343 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001368512807 919735772 /nfs/dbraw/zinc/73/57/72/919735772.db2.gz XZIUIPMHIYFUJA-PWSUYJOCSA-N 1 1 324.385 -1.343 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001368515987 919735883 /nfs/dbraw/zinc/73/58/83/919735883.db2.gz ANUXCPAOIFVDKA-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001368561792 919738574 /nfs/dbraw/zinc/73/85/74/919738574.db2.gz YTIDCIRJNZGZTI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CCCC2)C1 ZINC001368534921 919740056 /nfs/dbraw/zinc/74/00/56/919740056.db2.gz FOJRKIHOCQRMRZ-PHIMTYICSA-N 1 1 311.386 -1.239 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001368574513 919743016 /nfs/dbraw/zinc/74/30/16/919743016.db2.gz GZLWUQIKUXMAHI-LLVKDONJSA-N 1 1 310.358 -1.595 20 0 DAADMO Cc1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C2)n[nH]1 ZINC001368653687 919755705 /nfs/dbraw/zinc/75/57/05/919755705.db2.gz XGEYHJQIPWMSKW-XVKPBYJWSA-N 1 1 308.342 -1.037 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001368664215 919757682 /nfs/dbraw/zinc/75/76/82/919757682.db2.gz GOZDJUQCGJYSDG-ONGXEEELSA-N 1 1 309.374 -1.190 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CCn1cnnn1 ZINC001368677609 919761277 /nfs/dbraw/zinc/76/12/77/919761277.db2.gz XTZZGLXMJRGSRQ-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CCn1cnnn1 ZINC001368677609 919761285 /nfs/dbraw/zinc/76/12/85/919761285.db2.gz XTZZGLXMJRGSRQ-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001368721653 919764718 /nfs/dbraw/zinc/76/47/18/919764718.db2.gz MZQWWOLEZRJOFG-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001368721330 919765470 /nfs/dbraw/zinc/76/54/70/919765470.db2.gz WRQKBRQCDSPQJH-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368722964 919765644 /nfs/dbraw/zinc/76/56/44/919765644.db2.gz UUURGPDTQUFSKB-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)nn1 ZINC001368719086 919766418 /nfs/dbraw/zinc/76/64/18/919766418.db2.gz PNCWPGUJMOYRTA-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)nn1 ZINC001368719086 919766426 /nfs/dbraw/zinc/76/64/26/919766426.db2.gz PNCWPGUJMOYRTA-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001368742148 919766781 /nfs/dbraw/zinc/76/67/81/919766781.db2.gz QUCWTZJQYZASAK-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001368742148 919766795 /nfs/dbraw/zinc/76/67/95/919766795.db2.gz QUCWTZJQYZASAK-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)nn1 ZINC001368719046 919767047 /nfs/dbraw/zinc/76/70/47/919767047.db2.gz PNCWPGUJMOYRTA-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)nn1 ZINC001368719046 919767057 /nfs/dbraw/zinc/76/70/57/919767057.db2.gz PNCWPGUJMOYRTA-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2C1 ZINC001368731511 919767941 /nfs/dbraw/zinc/76/79/41/919767941.db2.gz OUHNNQPYUWNLOB-KOLCDFICSA-N 1 1 320.353 -1.002 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1cncnc1 ZINC001368763393 919769239 /nfs/dbraw/zinc/76/92/39/919769239.db2.gz SEZTXVBLMBHFFN-LBPRGKRZSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H]1C ZINC001368767162 919769498 /nfs/dbraw/zinc/76/94/98/919769498.db2.gz REPZDFCLYTUUEW-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CCC(=O)NC1(CO)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001368751627 919770083 /nfs/dbraw/zinc/77/00/83/919770083.db2.gz GEEBMWAXCHGOKR-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001368763559 919770203 /nfs/dbraw/zinc/77/02/03/919770203.db2.gz HWCQBKJFQPQFLJ-VLEAKVRGSA-N 1 1 302.375 -1.371 20 0 DAADMO Cn1cnc(C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)c1 ZINC001368766809 919771527 /nfs/dbraw/zinc/77/15/27/919771527.db2.gz QBNSQIRUGATZRP-GFCCVEGCSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CO)CCN(CC(N)=O)CC2)C1 ZINC001368768574 919771837 /nfs/dbraw/zinc/77/18/37/919771837.db2.gz VZOYSLGFIGXLMY-LBPRGKRZSA-N 1 1 312.414 -1.243 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001368797543 919773215 /nfs/dbraw/zinc/77/32/15/919773215.db2.gz OIWOBEAGJIILFO-BDAKNGLRSA-N 1 1 323.357 -1.076 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001368791714 919774178 /nfs/dbraw/zinc/77/41/78/919774178.db2.gz OXJYBHCELFNIOP-MXWKQRLJSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001368798335 919774340 /nfs/dbraw/zinc/77/43/40/919774340.db2.gz ZMUDPVJKPTUJAN-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001368798335 919774352 /nfs/dbraw/zinc/77/43/52/919774352.db2.gz ZMUDPVJKPTUJAN-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)COCC(F)F)CC1 ZINC001368772822 919774476 /nfs/dbraw/zinc/77/44/76/919774476.db2.gz YVJXUOJEVVJGHJ-UHFFFAOYSA-N 1 1 323.340 -1.043 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001368797504 919775316 /nfs/dbraw/zinc/77/53/16/919775316.db2.gz AFFSQAMUALRSGX-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001368798329 919775502 /nfs/dbraw/zinc/77/55/02/919775502.db2.gz ZMUDPVJKPTUJAN-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001368798329 919775509 /nfs/dbraw/zinc/77/55/09/919775509.db2.gz ZMUDPVJKPTUJAN-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001368785022 919775584 /nfs/dbraw/zinc/77/55/84/919775584.db2.gz MFIDTVHVAWDDEQ-MXWKQRLJSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)NC ZINC001368807010 919776939 /nfs/dbraw/zinc/77/69/39/919776939.db2.gz LTMILCYJARMECX-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCNC(=O)NC ZINC001368807010 919776953 /nfs/dbraw/zinc/77/69/53/919776953.db2.gz LTMILCYJARMECX-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001368811023 919777544 /nfs/dbraw/zinc/77/75/44/919777544.db2.gz SKJMLHXFHWONLB-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001368813480 919778107 /nfs/dbraw/zinc/77/81/07/919778107.db2.gz QJZSIZSXQLIESI-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001368829426 919779201 /nfs/dbraw/zinc/77/92/01/919779201.db2.gz OPELHGCGLHXWLV-UHFFFAOYSA-N 1 1 311.346 -2.556 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)CN2CCCC2)C1 ZINC001368822152 919779446 /nfs/dbraw/zinc/77/94/46/919779446.db2.gz CJTKFCKCTKVMRE-UHFFFAOYSA-N 1 1 311.386 -1.239 20 0 DAADMO CCC(=O)NCC(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001368810890 919779645 /nfs/dbraw/zinc/77/96/45/919779645.db2.gz AVFJQBOTSFFZHO-UHFFFAOYSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001368932132 919784643 /nfs/dbraw/zinc/78/46/43/919784643.db2.gz QSGFNYHEFWEYLF-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368931203 919785506 /nfs/dbraw/zinc/78/55/06/919785506.db2.gz KQRYMHNTFHLXQJ-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001368936923 919786414 /nfs/dbraw/zinc/78/64/14/919786414.db2.gz YWWYOKRGUYKEGV-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001368936768 919786543 /nfs/dbraw/zinc/78/65/43/919786543.db2.gz YWWYOKRGUYKEGV-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001368928658 919787678 /nfs/dbraw/zinc/78/76/78/919787678.db2.gz FSEKNDDQIVDURV-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001368937510 919790076 /nfs/dbraw/zinc/79/00/76/919790076.db2.gz CAPCLYYEFNOBTK-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](COC)OC ZINC001368978472 919790802 /nfs/dbraw/zinc/79/08/02/919790802.db2.gz PHPIVBXAUSQBSJ-VHSXEESVSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](COC)OC ZINC001368978472 919790815 /nfs/dbraw/zinc/79/08/15/919790815.db2.gz PHPIVBXAUSQBSJ-VHSXEESVSA-N 1 1 318.374 -1.460 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001368941207 919790928 /nfs/dbraw/zinc/79/09/28/919790928.db2.gz OZSYVNPQQGFTPN-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001368961703 919791044 /nfs/dbraw/zinc/79/10/44/919791044.db2.gz PVXCCICZYFLCFU-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001368961703 919791062 /nfs/dbraw/zinc/79/10/62/919791062.db2.gz PVXCCICZYFLCFU-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001368952244 919791160 /nfs/dbraw/zinc/79/11/60/919791160.db2.gz NGHRECHYYYRAQC-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001368952244 919791171 /nfs/dbraw/zinc/79/11/71/919791171.db2.gz NGHRECHYYYRAQC-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001368938639 919791251 /nfs/dbraw/zinc/79/12/51/919791251.db2.gz PDXCMDYLWGLKGA-NWDGAFQWSA-N 1 1 322.373 -1.633 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001368961616 919791825 /nfs/dbraw/zinc/79/18/25/919791825.db2.gz OCGVACCQLURLQX-JQWIXIFHSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001368961616 919791843 /nfs/dbraw/zinc/79/18/43/919791843.db2.gz OCGVACCQLURLQX-JQWIXIFHSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001368954909 919792226 /nfs/dbraw/zinc/79/22/26/919792226.db2.gz BEVKRAJVSPNBIF-MNOVXSKESA-N 1 1 315.374 -1.974 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001368978820 919792543 /nfs/dbraw/zinc/79/25/43/919792543.db2.gz OALRSUQXBBTJJS-HLTSFMKQSA-N 1 1 313.358 -2.000 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001368978820 919792554 /nfs/dbraw/zinc/79/25/54/919792554.db2.gz OALRSUQXBBTJJS-HLTSFMKQSA-N 1 1 313.358 -2.000 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001368952247 919793040 /nfs/dbraw/zinc/79/30/40/919793040.db2.gz NGHRECHYYYRAQC-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001368952247 919793049 /nfs/dbraw/zinc/79/30/49/919793049.db2.gz NGHRECHYYYRAQC-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001368981098 919793852 /nfs/dbraw/zinc/79/38/52/919793852.db2.gz FTGDEHJYWPGNLY-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001368981098 919793865 /nfs/dbraw/zinc/79/38/65/919793865.db2.gz FTGDEHJYWPGNLY-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001369002100 919794194 /nfs/dbraw/zinc/79/41/94/919794194.db2.gz GDFASRUWAGPADX-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001369002100 919794207 /nfs/dbraw/zinc/79/42/07/919794207.db2.gz GDFASRUWAGPADX-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001369000128 919794519 /nfs/dbraw/zinc/79/45/19/919794519.db2.gz KULQYEMFNCZFGZ-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)Cc1cnn(C)c1 ZINC001368986263 919794637 /nfs/dbraw/zinc/79/46/37/919794637.db2.gz OGNSPNQHLZUYMR-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)Cc1cnn(C)c1 ZINC001368986263 919794644 /nfs/dbraw/zinc/79/46/44/919794644.db2.gz OGNSPNQHLZUYMR-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001368980507 919795357 /nfs/dbraw/zinc/79/53/57/919795357.db2.gz IOFIWIRHXOLHDP-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001368980507 919795368 /nfs/dbraw/zinc/79/53/68/919795368.db2.gz IOFIWIRHXOLHDP-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001368980510 919795808 /nfs/dbraw/zinc/79/58/08/919795808.db2.gz IOFIWIRHXOLHDP-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001368980510 919795820 /nfs/dbraw/zinc/79/58/20/919795820.db2.gz IOFIWIRHXOLHDP-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC1CC1 ZINC001368986289 919796126 /nfs/dbraw/zinc/79/61/26/919796126.db2.gz OKAAVLDYFVBDNB-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC1CC1 ZINC001368986289 919796134 /nfs/dbraw/zinc/79/61/34/919796134.db2.gz OKAAVLDYFVBDNB-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@H+](C)CCNS(C)(=O)=O ZINC001368988683 919796762 /nfs/dbraw/zinc/79/67/62/919796762.db2.gz YFZJMTSNYGSJAR-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@@H+](C)CCNS(C)(=O)=O ZINC001368988683 919796774 /nfs/dbraw/zinc/79/67/74/919796774.db2.gz YFZJMTSNYGSJAR-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001369085276 919811211 /nfs/dbraw/zinc/81/12/11/919811211.db2.gz FDHJTPAIXHRTAJ-GXSJLCMTSA-N 1 1 311.386 -1.417 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001369075097 919811882 /nfs/dbraw/zinc/81/18/82/919811882.db2.gz NECBZNKJYNMCEM-SNVBAGLBSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104268 919814431 /nfs/dbraw/zinc/81/44/31/919814431.db2.gz BCLQHISHVANUJO-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104268 919814437 /nfs/dbraw/zinc/81/44/37/919814437.db2.gz BCLQHISHVANUJO-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001369097566 919815799 /nfs/dbraw/zinc/81/57/99/919815799.db2.gz DBLFLGIQTMAONE-SECBINFHSA-N 1 1 320.415 -1.940 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001369112316 919815985 /nfs/dbraw/zinc/81/59/85/919815985.db2.gz HCDRDUYGXCVEFX-JTQLQIEISA-N 1 1 322.431 -1.799 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001369105918 919816216 /nfs/dbraw/zinc/81/62/16/919816216.db2.gz DFFTVJJNCUTSPR-WDEREUQCSA-N 1 1 312.374 -1.493 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001369110496 919816367 /nfs/dbraw/zinc/81/63/67/919816367.db2.gz AESBNDIWSGMSEJ-RTCCRHLQSA-N 1 1 305.400 -1.524 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001369126640 919817517 /nfs/dbraw/zinc/81/75/17/919817517.db2.gz IKOFFLHTZOVXHU-FIQHERPVSA-N 1 1 322.365 -1.315 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CCC(=O)NC3)[C@@H]2C1 ZINC001369120262 919818155 /nfs/dbraw/zinc/81/81/55/919818155.db2.gz BAIDAVVLEZTCOJ-LSSIXWDNSA-N 1 1 322.409 -1.057 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001369123485 919818393 /nfs/dbraw/zinc/81/83/93/919818393.db2.gz LOGJLYJAZGPKLD-FIQHERPVSA-N 1 1 321.385 -1.556 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001369130840 919818603 /nfs/dbraw/zinc/81/86/03/919818603.db2.gz BXKSHESVLAYRMK-MMWGEVLESA-N 1 1 310.354 -1.475 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001369130921 919819121 /nfs/dbraw/zinc/81/91/21/919819121.db2.gz VUJQYOMFGMZWRH-DBIOUOCHSA-N 1 1 322.369 -2.250 20 0 DAADMO CO[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001369140200 919819970 /nfs/dbraw/zinc/81/99/70/919819970.db2.gz RJHWUECFQVCZOY-FMSGJZPZSA-N 1 1 321.381 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001369134695 919820164 /nfs/dbraw/zinc/82/01/64/919820164.db2.gz JGFOUCFBPSRJHB-XDQVBPFNSA-N 1 1 323.397 -1.031 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001369135551 919820868 /nfs/dbraw/zinc/82/08/68/919820868.db2.gz QXQALNSNRHZYFT-CNDDSTCGSA-N 1 1 323.397 -1.558 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)o1 ZINC001369136634 919821151 /nfs/dbraw/zinc/82/11/51/919821151.db2.gz QVHKHMYAKAGKBT-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)o1 ZINC001369136634 919821158 /nfs/dbraw/zinc/82/11/58/919821158.db2.gz QVHKHMYAKAGKBT-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001369137218 919821363 /nfs/dbraw/zinc/82/13/63/919821363.db2.gz ODTFMBQCGYLUMA-XYYAHUGASA-N 1 1 310.398 -1.641 20 0 DAADMO COCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001369150881 919823188 /nfs/dbraw/zinc/82/31/88/919823188.db2.gz VMWSSGARMUMJIH-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001369153182 919823378 /nfs/dbraw/zinc/82/33/78/919823378.db2.gz ZEDYLPYQBJSUIH-LPWJVIDDSA-N 1 1 324.385 -1.636 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001369156002 919823479 /nfs/dbraw/zinc/82/34/79/919823479.db2.gz GZIGGBXPJPAVKB-QEYWKRMJSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC001369152291 919824076 /nfs/dbraw/zinc/82/40/76/919824076.db2.gz GYDRNCVEWPQDJG-QCZZGDTMSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC001369152291 919824083 /nfs/dbraw/zinc/82/40/83/919824083.db2.gz GYDRNCVEWPQDJG-QCZZGDTMSA-N 1 1 311.386 -1.301 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001369153381 919824345 /nfs/dbraw/zinc/82/43/45/919824345.db2.gz MPBWCYBQUOQZON-UHFFFAOYSA-N 1 1 321.341 -1.462 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001369153381 919824360 /nfs/dbraw/zinc/82/43/60/919824360.db2.gz MPBWCYBQUOQZON-UHFFFAOYSA-N 1 1 321.341 -1.462 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001369166945 919827003 /nfs/dbraw/zinc/82/70/03/919827003.db2.gz XELYHCXLYZUYJW-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001369166945 919827024 /nfs/dbraw/zinc/82/70/24/919827024.db2.gz XELYHCXLYZUYJW-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001369185915 919828288 /nfs/dbraw/zinc/82/82/88/919828288.db2.gz VBANCZZINHFAJW-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001369276225 919833568 /nfs/dbraw/zinc/83/35/68/919833568.db2.gz BXFCQAGCLWOOQL-APPZFPTMSA-N 1 1 323.357 -1.352 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001369276229 919834168 /nfs/dbraw/zinc/83/41/68/919834168.db2.gz BXFCQAGCLWOOQL-CBAPKCEASA-N 1 1 323.357 -1.352 20 0 DAADMO C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnnn1C ZINC001369272259 919836007 /nfs/dbraw/zinc/83/60/07/919836007.db2.gz NEBFCDVQKVDFSM-QMMMGPOBSA-N 1 1 306.330 -1.456 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001369298694 919839737 /nfs/dbraw/zinc/83/97/37/919839737.db2.gz QOQPRCMIWMBDFG-SNVBAGLBSA-N 1 1 313.358 -1.322 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001369307658 919843096 /nfs/dbraw/zinc/84/30/96/919843096.db2.gz GIDUHKNGRRXKSK-SNVBAGLBSA-N 1 1 310.358 -1.996 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001369314534 919849958 /nfs/dbraw/zinc/84/99/58/919849958.db2.gz RZKQQNLUECOUQE-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001369314534 919849968 /nfs/dbraw/zinc/84/99/68/919849968.db2.gz RZKQQNLUECOUQE-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001369318830 919852912 /nfs/dbraw/zinc/85/29/12/919852912.db2.gz BREFRDMDWADYBI-JTQLQIEISA-N 1 1 315.399 -1.563 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001369318832 919854122 /nfs/dbraw/zinc/85/41/22/919854122.db2.gz BREFRDMDWADYBI-SNVBAGLBSA-N 1 1 315.399 -1.563 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001369320014 919854788 /nfs/dbraw/zinc/85/47/88/919854788.db2.gz BDQXLBFEUMNBKU-FRRDWIJNSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001369320014 919854802 /nfs/dbraw/zinc/85/48/02/919854802.db2.gz BDQXLBFEUMNBKU-FRRDWIJNSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CN2CCOCC2)cn1 ZINC001369324050 919856497 /nfs/dbraw/zinc/85/64/97/919856497.db2.gz RXESUMHDJSEZMT-CQSZACIVSA-N 1 1 323.397 -1.316 20 0 DAADMO CC[C@@H](N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369325053 919856526 /nfs/dbraw/zinc/85/65/26/919856526.db2.gz QMJCJUZZVOPVKW-GHMZBOCLSA-N 1 1 300.403 -1.199 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369323069 919857632 /nfs/dbraw/zinc/85/76/32/919857632.db2.gz TWTJMEPJVZQNHQ-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001369326088 919860429 /nfs/dbraw/zinc/86/04/29/919860429.db2.gz YESTZLLVYZGHTR-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369330741 919863703 /nfs/dbraw/zinc/86/37/03/919863703.db2.gz XXCKTBVRNUXVRE-GRYCIOLGSA-N 1 1 300.403 -1.471 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369330741 919863715 /nfs/dbraw/zinc/86/37/15/919863715.db2.gz XXCKTBVRNUXVRE-GRYCIOLGSA-N 1 1 300.403 -1.471 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001369330683 919864456 /nfs/dbraw/zinc/86/44/56/919864456.db2.gz XWANETHCAWKWRO-KGLIPLIRSA-N 1 1 324.425 -1.373 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001369330753 919865184 /nfs/dbraw/zinc/86/51/84/919865184.db2.gz GBWNOFAILOZGGR-GXSJLCMTSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccn(C)n2)o1 ZINC001369330720 919865374 /nfs/dbraw/zinc/86/53/74/919865374.db2.gz KATYBFMELAHSFX-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001369330766 919865404 /nfs/dbraw/zinc/86/54/04/919865404.db2.gz KCIZFUXUCDHGEN-LLVKDONJSA-N 1 1 324.385 -1.329 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001369329325 919865787 /nfs/dbraw/zinc/86/57/87/919865787.db2.gz CVSJGQONCIBQKQ-SNVBAGLBSA-N 1 1 323.357 -2.418 20 0 DAADMO CN(CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)C(=O)C1CC1 ZINC001369332037 919867422 /nfs/dbraw/zinc/86/74/22/919867422.db2.gz BUSKSCXJNWEGTR-LBPRGKRZSA-N 1 1 323.397 -1.145 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1cncnc1 ZINC001369333369 919868800 /nfs/dbraw/zinc/86/88/00/919868800.db2.gz BUXSLFARJPYJCA-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCN(C)C2=O)n1 ZINC001369333983 919868840 /nfs/dbraw/zinc/86/88/40/919868840.db2.gz HFQACRGEDLFZAI-WCQYABFASA-N 1 1 323.397 -1.145 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@@H]1CNC(=O)N1 ZINC001369334830 919872011 /nfs/dbraw/zinc/87/20/11/919872011.db2.gz IBXOBLGJZRDEFU-SVRRBLITSA-N 1 1 300.344 -2.214 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@H]1CNC(=O)N1 ZINC001369334814 919872490 /nfs/dbraw/zinc/87/24/90/919872490.db2.gz IBXOBLGJZRDEFU-HTRCEHHLSA-N 1 1 300.344 -2.214 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001369337521 919875618 /nfs/dbraw/zinc/87/56/18/919875618.db2.gz LKUOCSBJDCQXIE-YUSALJHKSA-N 1 1 319.369 -1.091 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001369338170 919875755 /nfs/dbraw/zinc/87/57/55/919875755.db2.gz FVADMJXXLLXAET-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@@H](C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001369337795 919876514 /nfs/dbraw/zinc/87/65/14/919876514.db2.gz FHKZRMYMPGBDFO-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc(C2CC2)no1)[C@H]1CNC(=O)N1 ZINC001369341983 919879661 /nfs/dbraw/zinc/87/96/61/919879661.db2.gz TZUYSPLJBQJIFR-JOYOIKCWSA-N 1 1 323.353 -1.200 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc(C2CC2)no1)[C@H]1CNC(=O)N1 ZINC001369341980 919881294 /nfs/dbraw/zinc/88/12/94/919881294.db2.gz TZUYSPLJBQJIFR-BXKDBHETSA-N 1 1 323.353 -1.200 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369351079 919890214 /nfs/dbraw/zinc/89/02/14/919890214.db2.gz SNLSCSIAIGXQFL-VHSXEESVSA-N 1 1 317.390 -2.151 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001369352870 919890286 /nfs/dbraw/zinc/89/02/86/919890286.db2.gz YVEPLJRSDCPNRE-GXSJLCMTSA-N 1 1 314.390 -1.337 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)c1nnn(C)n1)c1cnccn1 ZINC001369356788 919893752 /nfs/dbraw/zinc/89/37/52/919893752.db2.gz XAKHFLRCAOOGGC-IUCAKERBSA-N 1 1 306.330 -1.558 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001369356854 919894735 /nfs/dbraw/zinc/89/47/35/919894735.db2.gz XIQSBVCPJHMMJR-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001369358402 919895034 /nfs/dbraw/zinc/89/50/34/919895034.db2.gz IPEMODBHIDOBPP-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1)c1cnccn1 ZINC001369356786 919895557 /nfs/dbraw/zinc/89/55/57/919895557.db2.gz XAKHFLRCAOOGGC-DTWKUNHWSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1nnn(C)n1)c1cnccn1 ZINC001369356671 919896330 /nfs/dbraw/zinc/89/63/30/919896330.db2.gz XAKHFLRCAOOGGC-BDAKNGLRSA-N 1 1 306.330 -1.558 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001369363126 919898298 /nfs/dbraw/zinc/89/82/98/919898298.db2.gz ONMRPQBQCKBSLR-QWRGUYRKSA-N 1 1 324.385 -1.467 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)c[nH]1 ZINC001369365886 919902588 /nfs/dbraw/zinc/90/25/88/919902588.db2.gz JUMDNGSTHXSDNL-JTQLQIEISA-N 1 1 320.353 -1.308 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)c[nH]1 ZINC001369365896 919903031 /nfs/dbraw/zinc/90/30/31/919903031.db2.gz JUMDNGSTHXSDNL-SNVBAGLBSA-N 1 1 320.353 -1.308 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369365982 919903338 /nfs/dbraw/zinc/90/33/38/919903338.db2.gz PPCMVEYMFBYLRW-RYUDHWBXSA-N 1 1 300.403 -1.469 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001369365378 919904017 /nfs/dbraw/zinc/90/40/17/919904017.db2.gz QTJXNLLLSHLXOB-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001369365378 919904027 /nfs/dbraw/zinc/90/40/27/919904027.db2.gz QTJXNLLLSHLXOB-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)nn1 ZINC001369369727 919906580 /nfs/dbraw/zinc/90/65/80/919906580.db2.gz HDJYGHOXRWNSKJ-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CC(C)N(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369378124 919914707 /nfs/dbraw/zinc/91/47/07/919914707.db2.gz BALOWUWXSIGMDH-STQMWFEESA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)N(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369378124 919914722 /nfs/dbraw/zinc/91/47/22/919914722.db2.gz BALOWUWXSIGMDH-STQMWFEESA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)N(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369378117 919915298 /nfs/dbraw/zinc/91/52/98/919915298.db2.gz BALOWUWXSIGMDH-CHWSQXEVSA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)N(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369378117 919915308 /nfs/dbraw/zinc/91/53/08/919915308.db2.gz BALOWUWXSIGMDH-CHWSQXEVSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1ncnn1C ZINC001369384241 919917461 /nfs/dbraw/zinc/91/74/61/919917461.db2.gz OXKUHLSRENXZRQ-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2)S(C)(=O)=O ZINC001369393869 919918473 /nfs/dbraw/zinc/91/84/73/919918473.db2.gz DDAARTCDSJNLRO-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001369383992 919918741 /nfs/dbraw/zinc/91/87/41/919918741.db2.gz RLHYDMBZGSZNKI-QWRGUYRKSA-N 1 1 307.354 -1.370 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)[C@@H]1C ZINC001369439545 919925366 /nfs/dbraw/zinc/92/53/66/919925366.db2.gz UFINZHBEQKISFD-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001369445236 919927599 /nfs/dbraw/zinc/92/75/99/919927599.db2.gz GGOJSOWNYDBXOS-JTQLQIEISA-N 1 1 313.362 -2.403 20 0 DAADMO Cc1ncncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001369449239 919930174 /nfs/dbraw/zinc/93/01/74/919930174.db2.gz MDSGBPIFTDQPGF-SNVBAGLBSA-N 1 1 320.357 -1.469 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001369450847 919930750 /nfs/dbraw/zinc/93/07/50/919930750.db2.gz CJFLIAPUDBSMSN-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1ccn[nH]1 ZINC001369450624 919931675 /nfs/dbraw/zinc/93/16/75/919931675.db2.gz LYOUZICNHYJZRK-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)[nH]1 ZINC001369454059 919932462 /nfs/dbraw/zinc/93/24/62/919932462.db2.gz WCQQXWNHOLZWES-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001369454802 919933164 /nfs/dbraw/zinc/93/31/64/919933164.db2.gz YBTBNGBTLPALGD-GHMZBOCLSA-N 1 1 324.385 -1.515 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001369455141 919933292 /nfs/dbraw/zinc/93/32/92/919933292.db2.gz NDSIRKLKVZJPAV-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001369452645 919934232 /nfs/dbraw/zinc/93/42/32/919934232.db2.gz GKRHUXPZRJVLGH-VIFPVBQESA-N 1 1 301.303 -1.666 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N2CCC2)[nH]1 ZINC001369455200 919934539 /nfs/dbraw/zinc/93/45/39/919934539.db2.gz ZXZAHKGJIJUSPF-NSHDSACASA-N 1 1 309.370 -1.027 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1COCCO1 ZINC001369454974 919934876 /nfs/dbraw/zinc/93/48/76/919934876.db2.gz ZFBHOBGYBSCTQS-RYUDHWBXSA-N 1 1 313.358 -1.861 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001369452091 919935003 /nfs/dbraw/zinc/93/50/03/919935003.db2.gz GBNBFHMVAMGMGI-MWLCHTKSSA-N 1 1 312.374 -1.048 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cnn(C)c1N ZINC001369457972 919936369 /nfs/dbraw/zinc/93/63/69/919936369.db2.gz UWZXHUFQKDVGPL-VIFPVBQESA-N 1 1 309.330 -1.392 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)no1 ZINC001369459254 919938157 /nfs/dbraw/zinc/93/81/57/919938157.db2.gz XOCWYUNOFBZMOZ-LLVKDONJSA-N 1 1 319.383 -1.063 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1 ZINC001369456573 919938851 /nfs/dbraw/zinc/93/88/51/919938851.db2.gz RHCBBBLNCSVJLM-JTQLQIEISA-N 1 1 300.315 -1.061 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccns1 ZINC001369463216 919941990 /nfs/dbraw/zinc/94/19/90/919941990.db2.gz MOCXRZJWWJATSY-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)[nH]1 ZINC001369460744 919942116 /nfs/dbraw/zinc/94/21/16/919942116.db2.gz MYQLUNUAXDYLSD-SECBINFHSA-N 1 1 323.361 -2.212 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001369468270 919944132 /nfs/dbraw/zinc/94/41/32/919944132.db2.gz JUQDNQJDWRXACG-NXEZZACHSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CO[C@@H]1CCOC1 ZINC001369466524 919945018 /nfs/dbraw/zinc/94/50/18/919945018.db2.gz JRXAQMUIYYNKRF-VXGBXAGGSA-N 1 1 314.342 -1.216 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001369465362 919945820 /nfs/dbraw/zinc/94/58/20/919945820.db2.gz VLLCXWWQGPFPGX-LBPRGKRZSA-N 1 1 305.400 -1.213 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccnnc1 ZINC001369474203 919947739 /nfs/dbraw/zinc/94/77/39/919947739.db2.gz IJHNGDRZWZPSSZ-SNVBAGLBSA-N 1 1 306.330 -1.777 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001369470306 919948118 /nfs/dbraw/zinc/94/81/18/919948118.db2.gz FCZFFTNOLTWXDD-SNVBAGLBSA-N 1 1 322.373 -1.053 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)n1 ZINC001369471132 919948324 /nfs/dbraw/zinc/94/83/24/919948324.db2.gz QEFWAAYRLKYGKK-NSHDSACASA-N 1 1 320.357 -1.619 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369470145 919948504 /nfs/dbraw/zinc/94/85/04/919948504.db2.gz NFZPRQTZBRZKCN-RDBSUJKOSA-N 1 1 317.430 -1.113 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cnoc1)c1nnnn1C ZINC001369474015 919949099 /nfs/dbraw/zinc/94/90/99/919949099.db2.gz VXXXMUIJTOJWNN-KOLCDFICSA-N 1 1 323.357 -1.089 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369470144 919950320 /nfs/dbraw/zinc/95/03/20/919950320.db2.gz NFZPRQTZBRZKCN-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO Cc1ncc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001369471989 919950370 /nfs/dbraw/zinc/95/03/70/919950370.db2.gz LCBUEECYDKABGA-JTQLQIEISA-N 1 1 323.357 -1.342 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369470143 919950412 /nfs/dbraw/zinc/95/04/12/919950412.db2.gz NFZPRQTZBRZKCN-MCIONIFRSA-N 1 1 317.430 -1.113 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369471284 919950435 /nfs/dbraw/zinc/95/04/35/919950435.db2.gz MYRRBFBEVOEAJN-SECBINFHSA-N 1 1 323.361 -1.576 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001369480721 919953832 /nfs/dbraw/zinc/95/38/32/919953832.db2.gz DVWHRQAPYHADJK-UWVGGRQHSA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001369475887 919954331 /nfs/dbraw/zinc/95/43/31/919954331.db2.gz OQELQXPRILRRHT-UTUOFQBUSA-N 1 1 324.385 -1.672 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn(C)c(=O)[nH]2)[nH]1 ZINC001369483678 919957441 /nfs/dbraw/zinc/95/74/41/919957441.db2.gz LHZWSVRBRLHCPN-VIFPVBQESA-N 1 1 323.357 -1.225 20 0 DAADMO Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001369482616 919957542 /nfs/dbraw/zinc/95/75/42/919957542.db2.gz VGSZHLISNCZZKM-LBPRGKRZSA-N 1 1 321.385 -1.002 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001369482587 919958009 /nfs/dbraw/zinc/95/80/09/919958009.db2.gz KZFBRYDQYMVACZ-KOLCDFICSA-N 1 1 322.373 -1.125 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001369482596 919958151 /nfs/dbraw/zinc/95/81/51/919958151.db2.gz KZFBRYDQYMVACZ-ONGXEEELSA-N 1 1 322.373 -1.125 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cccn(C)c1=O ZINC001369489429 919960169 /nfs/dbraw/zinc/96/01/69/919960169.db2.gz XBSDVKRZGKSDNP-NSHDSACASA-N 1 1 321.337 -1.009 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(OC)no1 ZINC001369498121 919964671 /nfs/dbraw/zinc/96/46/71/919964671.db2.gz WWGIDIVIVKVABM-SECBINFHSA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(OC)no1 ZINC001369498121 919964689 /nfs/dbraw/zinc/96/46/89/919964689.db2.gz WWGIDIVIVKVABM-SECBINFHSA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493923 919965351 /nfs/dbraw/zinc/96/53/51/919965351.db2.gz KEKNEEIZSUPXKH-QWRGUYRKSA-N 1 1 315.370 -1.240 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493923 919965366 /nfs/dbraw/zinc/96/53/66/919965366.db2.gz KEKNEEIZSUPXKH-QWRGUYRKSA-N 1 1 315.370 -1.240 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O)C1 ZINC001369498509 919965610 /nfs/dbraw/zinc/96/56/10/919965610.db2.gz YTIOTJAVAQXKLT-GXFFZTMASA-N 1 1 301.387 -1.403 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491878 919965723 /nfs/dbraw/zinc/96/57/23/919965723.db2.gz BQVDVUMIXSJKJS-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491878 919965740 /nfs/dbraw/zinc/96/57/40/919965740.db2.gz BQVDVUMIXSJKJS-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001369493012 919965942 /nfs/dbraw/zinc/96/59/42/919965942.db2.gz GRBSQJDOHQQDOT-MNOVXSKESA-N 1 1 301.387 -1.213 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(OC)no1 ZINC001369498123 919966539 /nfs/dbraw/zinc/96/65/39/919966539.db2.gz WWGIDIVIVKVABM-VIFPVBQESA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(OC)no1 ZINC001369498123 919966556 /nfs/dbraw/zinc/96/65/56/919966556.db2.gz WWGIDIVIVKVABM-VIFPVBQESA-N 1 1 314.342 -1.206 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492009 919967486 /nfs/dbraw/zinc/96/74/86/919967486.db2.gz CFQAEPWRIPXHLU-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492009 919967505 /nfs/dbraw/zinc/96/75/05/919967505.db2.gz CFQAEPWRIPXHLU-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491871 919968531 /nfs/dbraw/zinc/96/85/31/919968531.db2.gz BQVDVUMIXSJKJS-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491871 919968549 /nfs/dbraw/zinc/96/85/49/919968549.db2.gz BQVDVUMIXSJKJS-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001369502365 919971846 /nfs/dbraw/zinc/97/18/46/919971846.db2.gz FQIBHUMQSVDHII-RWMBFGLXSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001369502365 919971855 /nfs/dbraw/zinc/97/18/55/919971855.db2.gz FQIBHUMQSVDHII-RWMBFGLXSA-N 1 1 323.397 -1.240 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001369504870 919971911 /nfs/dbraw/zinc/97/19/11/919971911.db2.gz HXEXZFGERPUBEO-VIFPVBQESA-N 1 1 313.358 -1.466 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001369504870 919971921 /nfs/dbraw/zinc/97/19/21/919971921.db2.gz HXEXZFGERPUBEO-VIFPVBQESA-N 1 1 313.358 -1.466 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cccn2nnnc12 ZINC001369500910 919972383 /nfs/dbraw/zinc/97/23/83/919972383.db2.gz AHYWXQLZMOVKRA-SNVBAGLBSA-N 1 1 308.342 -1.519 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CCCS1(=O)=O ZINC001369501568 919972512 /nfs/dbraw/zinc/97/25/12/919972512.db2.gz IDCNXSYKVUQSHP-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCCS1(=O)=O ZINC001369501568 919972521 /nfs/dbraw/zinc/97/25/21/919972521.db2.gz IDCNXSYKVUQSHP-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001369503975 919972603 /nfs/dbraw/zinc/97/26/03/919972603.db2.gz JLRSCRBOOCJHMV-VWYCJHECSA-N 1 1 314.386 -1.876 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001369503975 919972619 /nfs/dbraw/zinc/97/26/19/919972619.db2.gz JLRSCRBOOCJHMV-VWYCJHECSA-N 1 1 314.386 -1.876 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001369506476 919972971 /nfs/dbraw/zinc/97/29/71/919972971.db2.gz LMAUCBQZJBGHPS-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccc2n[nH]nc2n1 ZINC001369507496 919973021 /nfs/dbraw/zinc/97/30/21/919973021.db2.gz LFDZSNLMRWQQBL-SECBINFHSA-N 1 1 308.342 -1.290 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369506181 919973061 /nfs/dbraw/zinc/97/30/61/919973061.db2.gz PGJUANDORMNSOG-CHWSQXEVSA-N 1 1 314.430 -1.175 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001369502478 919973472 /nfs/dbraw/zinc/97/34/72/919973472.db2.gz DDYCNRQUROYXTL-CYBMUJFWSA-N 1 1 314.430 -1.080 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001369502922 919973747 /nfs/dbraw/zinc/97/37/47/919973747.db2.gz FDGYBMDQJZFJQH-NXEZZACHSA-N 1 1 312.374 -1.556 20 0 DAADMO CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369504424 919974005 /nfs/dbraw/zinc/97/40/05/919974005.db2.gz OFPJMIAIZGTCRH-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503050 919974563 /nfs/dbraw/zinc/97/45/63/919974563.db2.gz FNOFHFDDCMDXQR-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503050 919974572 /nfs/dbraw/zinc/97/45/72/919974572.db2.gz FNOFHFDDCMDXQR-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001369504583 919974756 /nfs/dbraw/zinc/97/47/56/919974756.db2.gz GPIVIQPRUAFNMP-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001369504583 919974766 /nfs/dbraw/zinc/97/47/66/919974766.db2.gz GPIVIQPRUAFNMP-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369512355 919976887 /nfs/dbraw/zinc/97/68/87/919976887.db2.gz KDHNYSXCMGXXLN-STQMWFEESA-N 1 1 314.430 -1.175 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)[nH]1 ZINC001369510865 919977276 /nfs/dbraw/zinc/97/72/76/919977276.db2.gz UFUFQKMFRMIKFR-WDEREUQCSA-N 1 1 324.385 -1.705 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn(C)c1Cl ZINC001369510176 919977396 /nfs/dbraw/zinc/97/73/96/919977396.db2.gz OPPFHLOPLDYZHD-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn(C)c1Cl ZINC001369510176 919977402 /nfs/dbraw/zinc/97/74/02/919977402.db2.gz OPPFHLOPLDYZHD-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001369510817 919977582 /nfs/dbraw/zinc/97/75/82/919977582.db2.gz BKOCDXZLBZWGCS-NWDGAFQWSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001369509724 919977813 /nfs/dbraw/zinc/97/78/13/919977813.db2.gz NZFMYORFBFBEHL-SMDDNHRTSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001369509724 919977824 /nfs/dbraw/zinc/97/78/24/919977824.db2.gz NZFMYORFBFBEHL-SMDDNHRTSA-N 1 1 319.377 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001369514720 919978142 /nfs/dbraw/zinc/97/81/42/919978142.db2.gz LNNNNKMUFSLVQQ-KOLCDFICSA-N 1 1 312.370 -1.141 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369512348 919978403 /nfs/dbraw/zinc/97/84/03/919978403.db2.gz KDHNYSXCMGXXLN-OLZOCXBDSA-N 1 1 314.430 -1.175 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369512352 919978884 /nfs/dbraw/zinc/97/88/84/919978884.db2.gz KDHNYSXCMGXXLN-QWHCGFSZSA-N 1 1 314.430 -1.175 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369510827 919979449 /nfs/dbraw/zinc/97/94/49/919979449.db2.gz BPFLKEOXLUODSO-VHSXEESVSA-N 1 1 301.347 -1.823 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cnccn1 ZINC001369510653 919979512 /nfs/dbraw/zinc/97/95/12/919979512.db2.gz GFUOSJAFQXTSFO-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cnccn1 ZINC001369510653 919979519 /nfs/dbraw/zinc/97/95/19/919979519.db2.gz GFUOSJAFQXTSFO-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001369517586 919980588 /nfs/dbraw/zinc/98/05/88/919980588.db2.gz ISSUBRHFXFDQJT-QWRGUYRKSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn(CCF)c1 ZINC001369516927 919980991 /nfs/dbraw/zinc/98/09/91/919980991.db2.gz ZKAILFFOGNVILI-NSHDSACASA-N 1 1 315.349 -1.297 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn(CCF)c1 ZINC001369516927 919981000 /nfs/dbraw/zinc/98/10/00/919981000.db2.gz ZKAILFFOGNVILI-NSHDSACASA-N 1 1 315.349 -1.297 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520842 919981205 /nfs/dbraw/zinc/98/12/05/919981205.db2.gz WRQGMCHQUMSTRR-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520842 919981214 /nfs/dbraw/zinc/98/12/14/919981214.db2.gz WRQGMCHQUMSTRR-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001369518070 919982739 /nfs/dbraw/zinc/98/27/39/919982739.db2.gz BCDGTDZBXUFUKT-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001369518070 919982745 /nfs/dbraw/zinc/98/27/45/919982745.db2.gz BCDGTDZBXUFUKT-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(C(N)=O)ccn1 ZINC001369526216 919982797 /nfs/dbraw/zinc/98/27/97/919982797.db2.gz VOCQSFPSWVHIMF-GFCCVEGCSA-N 1 1 324.381 -1.072 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001369515546 919982909 /nfs/dbraw/zinc/98/29/09/919982909.db2.gz JBMSCTCSUIHYCR-UWVGGRQHSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001369515546 919982915 /nfs/dbraw/zinc/98/29/15/919982915.db2.gz JBMSCTCSUIHYCR-UWVGGRQHSA-N 1 1 312.374 -1.464 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520844 919983061 /nfs/dbraw/zinc/98/30/61/919983061.db2.gz WRQGMCHQUMSTRR-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520844 919983067 /nfs/dbraw/zinc/98/30/67/919983067.db2.gz WRQGMCHQUMSTRR-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001369516775 919983211 /nfs/dbraw/zinc/98/32/11/919983211.db2.gz YXZXKCROEDWPQS-LLVKDONJSA-N 1 1 302.375 -1.990 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001369521841 919983918 /nfs/dbraw/zinc/98/39/18/919983918.db2.gz YBRUVXBRNLHDIC-VHSXEESVSA-N 1 1 302.331 -1.558 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001369516603 919984196 /nfs/dbraw/zinc/98/41/96/919984196.db2.gz RYVXNNSYGYIOOW-JTQLQIEISA-N 1 1 312.374 -1.464 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C[C@H](C)O ZINC001369552271 919986230 /nfs/dbraw/zinc/98/62/30/919986230.db2.gz JBUFRSGMZILKGF-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C[C@@H](C)O ZINC001369552268 919986274 /nfs/dbraw/zinc/98/62/74/919986274.db2.gz JBUFRSGMZILKGF-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001369555843 919986593 /nfs/dbraw/zinc/98/65/93/919986593.db2.gz SYARAKAZMOQRDD-UHFFFAOYSA-N 1 1 314.342 -1.844 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1nnc2n1CCOC2 ZINC001369710894 919995281 /nfs/dbraw/zinc/99/52/81/919995281.db2.gz UTVVEPPYTHIUOQ-SNVBAGLBSA-N 1 1 310.358 -1.326 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816877 920001645 /nfs/dbraw/zinc/00/16/45/920001645.db2.gz SJLHWNMRQSPUFF-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816877 920001650 /nfs/dbraw/zinc/00/16/50/920001650.db2.gz SJLHWNMRQSPUFF-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001369815315 920001668 /nfs/dbraw/zinc/00/16/68/920001668.db2.gz HKWKMZMCABLPQJ-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001369822174 920002229 /nfs/dbraw/zinc/00/22/29/920002229.db2.gz SEEAIDCNAZIYOI-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001369858621 920005499 /nfs/dbraw/zinc/00/54/99/920005499.db2.gz DLKQXKDITWHSSE-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CCC(=O)NCC[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC001369870712 920006212 /nfs/dbraw/zinc/00/62/12/920006212.db2.gz RQNDCDIXEDROCL-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001369942575 920016930 /nfs/dbraw/zinc/01/69/30/920016930.db2.gz SJJJGSQCSOWHQL-UHFFFAOYSA-N 1 1 313.446 -1.194 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 ZINC001369935288 920017970 /nfs/dbraw/zinc/01/79/70/920017970.db2.gz DPSFYOOCGABLCZ-ZDUSSCGKSA-N 1 1 313.446 -1.066 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001369975171 920020650 /nfs/dbraw/zinc/02/06/50/920020650.db2.gz IAADTQHHFKLUTD-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001369975171 920020664 /nfs/dbraw/zinc/02/06/64/920020664.db2.gz IAADTQHHFKLUTD-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976910 920021317 /nfs/dbraw/zinc/02/13/17/920021317.db2.gz MSPBODNYPZVZHG-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976910 920021327 /nfs/dbraw/zinc/02/13/27/920021327.db2.gz MSPBODNYPZVZHG-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1)NC(N)=O ZINC001369979913 920024485 /nfs/dbraw/zinc/02/44/85/920024485.db2.gz AWLYQAASDOWDNE-MNOVXSKESA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1)NC(N)=O ZINC001369979915 920025752 /nfs/dbraw/zinc/02/57/52/920025752.db2.gz AWLYQAASDOWDNE-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001369983832 920026416 /nfs/dbraw/zinc/02/64/16/920026416.db2.gz GZLRCWJFVVMSKH-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001369983832 920026423 /nfs/dbraw/zinc/02/64/23/920026423.db2.gz GZLRCWJFVVMSKH-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001369993185 920027413 /nfs/dbraw/zinc/02/74/13/920027413.db2.gz HXEKQPHUWAJLTE-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001370001158 920028610 /nfs/dbraw/zinc/02/86/10/920028610.db2.gz YUSSEUILSINLBM-WDEREUQCSA-N 1 1 313.358 -2.220 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001369993002 920028789 /nfs/dbraw/zinc/02/87/89/920028789.db2.gz BXJBOSHGXLVHQA-NSHDSACASA-N 1 1 324.385 -1.703 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001369993002 920028800 /nfs/dbraw/zinc/02/88/00/920028800.db2.gz BXJBOSHGXLVHQA-NSHDSACASA-N 1 1 324.385 -1.703 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001370067878 920037107 /nfs/dbraw/zinc/03/71/07/920037107.db2.gz VGLNUFRPEQDCOY-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)CNC(=O)NC)C2)n1 ZINC001370362522 920052753 /nfs/dbraw/zinc/05/27/53/920052753.db2.gz DYFJBCRVWMQRBT-JTQLQIEISA-N 1 1 309.374 -1.083 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001370437216 920056602 /nfs/dbraw/zinc/05/66/02/920056602.db2.gz COBMAZSLGSXUKV-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001370564238 920070182 /nfs/dbraw/zinc/07/01/82/920070182.db2.gz IDKSTCHQUDILLK-IWSPIJDZSA-N 1 1 310.362 -1.434 20 0 DAADMO C[C@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370593706 920071374 /nfs/dbraw/zinc/07/13/74/920071374.db2.gz QBKYDAOQVFSXQC-ZJUUUORDSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370593706 920071391 /nfs/dbraw/zinc/07/13/91/920071391.db2.gz QBKYDAOQVFSXQC-ZJUUUORDSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370593697 920073699 /nfs/dbraw/zinc/07/36/99/920073699.db2.gz QBKYDAOQVFSXQC-UWVGGRQHSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370593697 920073718 /nfs/dbraw/zinc/07/37/18/920073718.db2.gz QBKYDAOQVFSXQC-UWVGGRQHSA-N 1 1 310.358 -1.288 20 0 DAADMO CNC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001370584086 920073817 /nfs/dbraw/zinc/07/38/17/920073817.db2.gz HVDITMSQUCWYHI-UBJLHIIHSA-N 1 1 311.386 -1.099 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001370631803 920075461 /nfs/dbraw/zinc/07/54/61/920075461.db2.gz APRHYCZUFNHVMR-RYUDHWBXSA-N 1 1 324.381 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CCOC)C1 ZINC001370631481 920076011 /nfs/dbraw/zinc/07/60/11/920076011.db2.gz BDAMIHAOEIMBJD-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CCOC)C1 ZINC001370631481 920076028 /nfs/dbraw/zinc/07/60/28/920076028.db2.gz BDAMIHAOEIMBJD-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370635874 920078162 /nfs/dbraw/zinc/07/81/62/920078162.db2.gz IWDJTAQUIQRNJF-WDEREUQCSA-N 1 1 300.359 -2.333 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)cnn1C ZINC001370651258 920089425 /nfs/dbraw/zinc/08/94/25/920089425.db2.gz NRKQJCKVDAWKDP-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCCC(N)=O ZINC001370663147 920095095 /nfs/dbraw/zinc/09/50/95/920095095.db2.gz BPVYIQOLMGWJDZ-QWRGUYRKSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001370664474 920097215 /nfs/dbraw/zinc/09/72/15/920097215.db2.gz LYRXEEPNANXCHH-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CS(C)(=O)=O)C1 ZINC001370669670 920100983 /nfs/dbraw/zinc/10/09/83/920100983.db2.gz WETNSKLHKKZQAN-UWVGGRQHSA-N 1 1 321.399 -2.424 20 0 DAADMO Cc1c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001370671145 920103180 /nfs/dbraw/zinc/10/31/80/920103180.db2.gz RWYWHQQSLHYCMO-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001370671131 920103388 /nfs/dbraw/zinc/10/33/88/920103388.db2.gz RWYWHQQSLHYCMO-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccon2)C1 ZINC001370673226 920103580 /nfs/dbraw/zinc/10/35/80/920103580.db2.gz IKLQNVWYDZRDSZ-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccon2)C1 ZINC001370673226 920103593 /nfs/dbraw/zinc/10/35/93/920103593.db2.gz IKLQNVWYDZRDSZ-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001370673818 920103757 /nfs/dbraw/zinc/10/37/57/920103757.db2.gz WGBBVABTCXXWKH-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001370683356 920111984 /nfs/dbraw/zinc/11/19/84/920111984.db2.gz FHCMUBMIFJRRPB-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001370681243 920112866 /nfs/dbraw/zinc/11/28/66/920112866.db2.gz HXTCKQVEYLEGSG-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001370684053 920116393 /nfs/dbraw/zinc/11/63/93/920116393.db2.gz GWLZNFRGTCMCGZ-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001370703985 920130187 /nfs/dbraw/zinc/13/01/87/920130187.db2.gz ALJWBJLXVJFBTP-NSHDSACASA-N 1 1 324.337 -1.327 20 0 DAADMO Cc1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001370708391 920132382 /nfs/dbraw/zinc/13/23/82/920132382.db2.gz PZWLNKGWHJPWSU-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370706721 920132705 /nfs/dbraw/zinc/13/27/05/920132705.db2.gz KXJKBYRPPRUOGA-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCNC(N)=O)C1 ZINC001370708438 920133427 /nfs/dbraw/zinc/13/34/27/920133427.db2.gz QZZMXRJKTCAPOQ-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnns2)C1 ZINC001370707766 920133476 /nfs/dbraw/zinc/13/34/76/920133476.db2.gz NNKIKOBRNDWBLP-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001370709695 920135804 /nfs/dbraw/zinc/13/58/04/920135804.db2.gz VMBQWGUFVDHQFB-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CS(C)(=O)=O)C1 ZINC001370710838 920136699 /nfs/dbraw/zinc/13/66/99/920136699.db2.gz YZGQLVRRMYNLGB-UWVGGRQHSA-N 1 1 321.399 -2.424 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001370713203 920138878 /nfs/dbraw/zinc/13/88/78/920138878.db2.gz UVPAOOJFVJRPMG-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001370723745 920141788 /nfs/dbraw/zinc/14/17/88/920141788.db2.gz KNXVPALTSKUIGF-NXEZZACHSA-N 1 1 311.342 -1.321 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370733734 920147713 /nfs/dbraw/zinc/14/77/13/920147713.db2.gz QACOXQJCEQSNGV-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001370737656 920149347 /nfs/dbraw/zinc/14/93/47/920149347.db2.gz USICMDHZBAHUIW-GXSJLCMTSA-N 1 1 312.374 -1.402 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001370739379 920149688 /nfs/dbraw/zinc/14/96/88/920149688.db2.gz AZYIFWBFZKQKIL-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001370738712 920149737 /nfs/dbraw/zinc/14/97/37/920149737.db2.gz USICMDHZBAHUIW-MWLCHTKSSA-N 1 1 312.374 -1.402 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370742980 920153950 /nfs/dbraw/zinc/15/39/50/920153950.db2.gz HUOQCAUDNOOONE-DGCLKSJQSA-N 1 1 323.397 -1.350 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001370744617 920154129 /nfs/dbraw/zinc/15/41/29/920154129.db2.gz NCAHUOASDTVNQU-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001370744617 920154141 /nfs/dbraw/zinc/15/41/41/920154141.db2.gz NCAHUOASDTVNQU-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001370753042 920157378 /nfs/dbraw/zinc/15/73/78/920157378.db2.gz CIAYWQBFEZBYTG-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001370749113 920157704 /nfs/dbraw/zinc/15/77/04/920157704.db2.gz CMMQBMFZNZYZKE-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001370749653 920158043 /nfs/dbraw/zinc/15/80/43/920158043.db2.gz VVVDJOHJGONJDV-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749653 920158051 /nfs/dbraw/zinc/15/80/51/920158051.db2.gz VVVDJOHJGONJDV-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749653 920158058 /nfs/dbraw/zinc/15/80/58/920158058.db2.gz VVVDJOHJGONJDV-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001370763175 920162825 /nfs/dbraw/zinc/16/28/25/920162825.db2.gz CEJLUKUCUFMPSN-VIFPVBQESA-N 1 1 322.329 -2.378 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001370768460 920165647 /nfs/dbraw/zinc/16/56/47/920165647.db2.gz GVVXDFKJROJVOA-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1cnoc1 ZINC001370768458 920166680 /nfs/dbraw/zinc/16/66/80/920166680.db2.gz GVVXDFKJROJVOA-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001370774705 920171015 /nfs/dbraw/zinc/17/10/15/920171015.db2.gz VDWDRJZKPMAKIE-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnon2)CC[N@H+]1C ZINC001370777174 920171279 /nfs/dbraw/zinc/17/12/79/920171279.db2.gz MFWINRJOFVJKTA-KXUCPTDWSA-N 1 1 311.342 -1.383 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001370774707 920171951 /nfs/dbraw/zinc/17/19/51/920171951.db2.gz VDWDRJZKPMAKIE-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001370778907 920171993 /nfs/dbraw/zinc/17/19/93/920171993.db2.gz PLAWLKKUIACBEP-JTQLQIEISA-N 1 1 320.415 -1.631 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001370778907 920172002 /nfs/dbraw/zinc/17/20/02/920172002.db2.gz PLAWLKKUIACBEP-JTQLQIEISA-N 1 1 320.415 -1.631 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cccnn1 ZINC001370774859 920172032 /nfs/dbraw/zinc/17/20/32/920172032.db2.gz JXTLTHYYOZEBNG-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001370774706 920172194 /nfs/dbraw/zinc/17/21/94/920172194.db2.gz VDWDRJZKPMAKIE-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c1cnon1)C1CCC1 ZINC001370779462 920174725 /nfs/dbraw/zinc/17/47/25/920174725.db2.gz SGROQNTXGIAVKN-SECBINFHSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001370791001 920177716 /nfs/dbraw/zinc/17/77/16/920177716.db2.gz LMDOFNWOFYKTSC-NSHDSACASA-N 1 1 309.374 -1.326 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001370797685 920179045 /nfs/dbraw/zinc/17/90/45/920179045.db2.gz WTMALNQEYWZBOP-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001370797685 920179051 /nfs/dbraw/zinc/17/90/51/920179051.db2.gz WTMALNQEYWZBOP-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001370797682 920179151 /nfs/dbraw/zinc/17/91/51/920179151.db2.gz WTMALNQEYWZBOP-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001370797682 920179163 /nfs/dbraw/zinc/17/91/63/920179163.db2.gz WTMALNQEYWZBOP-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001370795430 920179898 /nfs/dbraw/zinc/17/98/98/920179898.db2.gz DTXUKECHSMORDK-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 ZINC001370798033 920180273 /nfs/dbraw/zinc/18/02/73/920180273.db2.gz ISOQUDJBZVTPSB-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001370804843 920182145 /nfs/dbraw/zinc/18/21/45/920182145.db2.gz RJLMSWFOIPOGSV-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001370804852 920183490 /nfs/dbraw/zinc/18/34/90/920183490.db2.gz RJLMSWFOIPOGSV-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001370874719 920190937 /nfs/dbraw/zinc/19/09/37/920190937.db2.gz QLLPQMFYFKPBMZ-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001370874719 920190948 /nfs/dbraw/zinc/19/09/48/920190948.db2.gz QLLPQMFYFKPBMZ-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cccn1 ZINC001370959156 920196128 /nfs/dbraw/zinc/19/61/28/920196128.db2.gz VOJSOSIVNRPSNF-CHWSQXEVSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cccn1 ZINC001370959164 920196486 /nfs/dbraw/zinc/19/64/86/920196486.db2.gz VOJSOSIVNRPSNF-OLZOCXBDSA-N 1 1 323.397 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954693 920196822 /nfs/dbraw/zinc/19/68/22/920196822.db2.gz XZUUFCPQXJFEGR-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954693 920196836 /nfs/dbraw/zinc/19/68/36/920196836.db2.gz XZUUFCPQXJFEGR-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954686 920197537 /nfs/dbraw/zinc/19/75/37/920197537.db2.gz XZUUFCPQXJFEGR-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954686 920197545 /nfs/dbraw/zinc/19/75/45/920197545.db2.gz XZUUFCPQXJFEGR-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CSCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370978778 920202562 /nfs/dbraw/zinc/20/25/62/920202562.db2.gz KZXWZAKFTNTIGK-WDEREUQCSA-N 1 1 319.427 -1.385 20 0 DAADMO CSCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370978778 920202545 /nfs/dbraw/zinc/20/25/45/920202545.db2.gz KZXWZAKFTNTIGK-WDEREUQCSA-N 1 1 319.427 -1.385 20 0 DAADMO CSCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370978774 920202827 /nfs/dbraw/zinc/20/28/27/920202827.db2.gz KZXWZAKFTNTIGK-QWRGUYRKSA-N 1 1 319.427 -1.385 20 0 DAADMO CSCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370978774 920202838 /nfs/dbraw/zinc/20/28/38/920202838.db2.gz KZXWZAKFTNTIGK-QWRGUYRKSA-N 1 1 319.427 -1.385 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CCO)C1 ZINC001370985491 920205205 /nfs/dbraw/zinc/20/52/05/920205205.db2.gz VPTPWJBQBXZIJE-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CCO)C1 ZINC001370985488 920206564 /nfs/dbraw/zinc/20/65/64/920206564.db2.gz VPTPWJBQBXZIJE-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370986476 920206727 /nfs/dbraw/zinc/20/67/27/920206727.db2.gz PFGLVFVPAIFKFV-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001370987594 920206811 /nfs/dbraw/zinc/20/68/11/920206811.db2.gz REJCFSZPMPXFJR-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370986471 920207107 /nfs/dbraw/zinc/20/71/07/920207107.db2.gz PFGLVFVPAIFKFV-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnnn1C ZINC001370987533 920207257 /nfs/dbraw/zinc/20/72/57/920207257.db2.gz CXHHOAOMFOSOJX-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)c1cn[nH]n1 ZINC001371004409 920212368 /nfs/dbraw/zinc/21/23/68/920212368.db2.gz JDWRUANNTGWOIV-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371012189 920213829 /nfs/dbraw/zinc/21/38/29/920213829.db2.gz PFHICXGWFKGJFG-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001371008835 920214024 /nfs/dbraw/zinc/21/40/24/920214024.db2.gz OIQICMIMJAGKSS-SSKLVLDBSA-N 1 1 313.398 -1.045 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001371008837 920214980 /nfs/dbraw/zinc/21/49/80/920214980.db2.gz OIQICMIMJAGKSS-SVPLCASGSA-N 1 1 313.398 -1.045 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001371021208 920220769 /nfs/dbraw/zinc/22/07/69/920220769.db2.gz XDJIGUKUMUBERN-BJUWDHJGSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001371021208 920220787 /nfs/dbraw/zinc/22/07/87/920220787.db2.gz XDJIGUKUMUBERN-BJUWDHJGSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)CC[NH+](C)C ZINC001371034984 920224520 /nfs/dbraw/zinc/22/45/20/920224520.db2.gz WOFGDYGWFXTLSA-LBPRGKRZSA-N 1 1 311.386 -1.161 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001371034629 920225012 /nfs/dbraw/zinc/22/50/12/920225012.db2.gz CNRGNFZPNFWORO-KIJLLGNVSA-N 1 1 302.371 -1.299 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001371173639 920238287 /nfs/dbraw/zinc/23/82/87/920238287.db2.gz SQDMYCAPVMFZQU-IUCAKERBSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001371265779 920239363 /nfs/dbraw/zinc/23/93/63/920239363.db2.gz UKQCBARBGJXPAQ-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cscn1 ZINC001371309041 920242914 /nfs/dbraw/zinc/24/29/14/920242914.db2.gz KXEBMOVPRPOQGQ-MRVPVSSYSA-N 1 1 321.428 -1.209 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC001371310173 920243237 /nfs/dbraw/zinc/24/32/37/920243237.db2.gz NBRKEVFFAIAGNG-QMMMGPOBSA-N 1 1 319.387 -1.369 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cnns1 ZINC001371307744 920245285 /nfs/dbraw/zinc/24/52/85/920245285.db2.gz IMCBIQZHEIBYOY-ZETCQYMHSA-N 1 1 322.416 -1.814 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nnnn1C ZINC001371338243 920247940 /nfs/dbraw/zinc/24/79/40/920247940.db2.gz ADJQMWNEPBSPMM-XHNCKOQMSA-N 1 1 311.346 -2.163 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001371341785 920248773 /nfs/dbraw/zinc/24/87/73/920248773.db2.gz LGQBRGFJDKTXFU-DVVUODLYSA-N 1 1 310.358 -1.558 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C)C(C)C ZINC001371435122 920252469 /nfs/dbraw/zinc/25/24/69/920252469.db2.gz XNZYDVXTNJUPCC-JOYOIKCWSA-N 1 1 311.390 -1.035 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ncnn1C ZINC001371448028 920254634 /nfs/dbraw/zinc/25/46/34/920254634.db2.gz GPYOUNNNMZTSLY-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001371453559 920258141 /nfs/dbraw/zinc/25/81/41/920258141.db2.gz IIKWLJSKZXDHOD-IJLUTSLNSA-N 1 1 313.398 -1.071 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001371461547 920260449 /nfs/dbraw/zinc/26/04/49/920260449.db2.gz PFQBQWWZZAITTL-VXGBXAGGSA-N 1 1 324.385 -1.694 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001371469274 920263832 /nfs/dbraw/zinc/26/38/32/920263832.db2.gz AACPOODLXDSRFQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001371469274 920263848 /nfs/dbraw/zinc/26/38/48/920263848.db2.gz AACPOODLXDSRFQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001371469274 920263866 /nfs/dbraw/zinc/26/38/66/920263866.db2.gz AACPOODLXDSRFQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001371538771 920283782 /nfs/dbraw/zinc/28/37/82/920283782.db2.gz NPZZTZGNTSIGPH-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001371695233 920293842 /nfs/dbraw/zinc/29/38/42/920293842.db2.gz RXZPPNDNGYAFEM-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001371695233 920293854 /nfs/dbraw/zinc/29/38/54/920293854.db2.gz RXZPPNDNGYAFEM-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001371675673 920295208 /nfs/dbraw/zinc/29/52/08/920295208.db2.gz GTMADWFKZCBDGI-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001371695220 920295853 /nfs/dbraw/zinc/29/58/53/920295853.db2.gz RUSRNHGPTVOKFC-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001371695220 920295867 /nfs/dbraw/zinc/29/58/67/920295867.db2.gz RUSRNHGPTVOKFC-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001371695216 920296221 /nfs/dbraw/zinc/29/62/21/920296221.db2.gz RUSRNHGPTVOKFC-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001371695216 920296238 /nfs/dbraw/zinc/29/62/38/920296238.db2.gz RUSRNHGPTVOKFC-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CCNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001371809673 920301139 /nfs/dbraw/zinc/30/11/39/920301139.db2.gz NCRJLAAAPZSGGO-JTQLQIEISA-N 1 1 324.389 -2.374 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001371845104 920304506 /nfs/dbraw/zinc/30/45/06/920304506.db2.gz MMTRVEIAYNMTIC-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001371845097 920304852 /nfs/dbraw/zinc/30/48/52/920304852.db2.gz MMTRVEIAYNMTIC-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001371911967 920308450 /nfs/dbraw/zinc/30/84/50/920308450.db2.gz MUUNVMMHBIYVII-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001371911967 920308472 /nfs/dbraw/zinc/30/84/72/920308472.db2.gz MUUNVMMHBIYVII-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001371964416 920311939 /nfs/dbraw/zinc/31/19/39/920311939.db2.gz OLVPMVWYYRRDOP-NSHDSACASA-N 1 1 307.358 -1.266 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001371951062 920312881 /nfs/dbraw/zinc/31/28/81/920312881.db2.gz MNGJPVWYAYEXDL-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001371951062 920312899 /nfs/dbraw/zinc/31/28/99/920312899.db2.gz MNGJPVWYAYEXDL-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001371963407 920315059 /nfs/dbraw/zinc/31/50/59/920315059.db2.gz IECCAQTYPPIOLQ-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001371963407 920315067 /nfs/dbraw/zinc/31/50/67/920315067.db2.gz IECCAQTYPPIOLQ-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CC(C)NC(=O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001371938806 920315551 /nfs/dbraw/zinc/31/55/51/920315551.db2.gz IROJSFXLNFPADK-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO CC(C)NC(=O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001371938806 920315568 /nfs/dbraw/zinc/31/55/68/920315568.db2.gz IROJSFXLNFPADK-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001371980288 920315963 /nfs/dbraw/zinc/31/59/63/920315963.db2.gz WNLYGDMCQNTDOX-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001371980288 920315980 /nfs/dbraw/zinc/31/59/80/920315980.db2.gz WNLYGDMCQNTDOX-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371970315 920317123 /nfs/dbraw/zinc/31/71/23/920317123.db2.gz ITGBEBXRGOBODN-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371970315 920317138 /nfs/dbraw/zinc/31/71/38/920317138.db2.gz ITGBEBXRGOBODN-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001371979661 920318371 /nfs/dbraw/zinc/31/83/71/920318371.db2.gz UZMNCXCVRYQRLS-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001371979661 920318388 /nfs/dbraw/zinc/31/83/88/920318388.db2.gz UZMNCXCVRYQRLS-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)CCCF)c1=O ZINC001371994222 920319172 /nfs/dbraw/zinc/31/91/72/920319172.db2.gz HZTGPBNEBZVMAX-UHFFFAOYSA-N 1 1 300.334 -1.045 20 0 DAADMO Cn1cc(CC[N@@H+](C)CCNC(=O)CN2CCOCC2=O)cn1 ZINC001371996716 920320366 /nfs/dbraw/zinc/32/03/66/920320366.db2.gz QUPQSJPWTCOIID-UHFFFAOYSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1cnn(C)c1C ZINC001371999115 920320867 /nfs/dbraw/zinc/32/08/67/920320867.db2.gz PLRCFKGPLHSHRK-UHFFFAOYSA-N 1 1 324.385 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1cnn(C)c1C ZINC001371999115 920320884 /nfs/dbraw/zinc/32/08/84/920320884.db2.gz PLRCFKGPLHSHRK-UHFFFAOYSA-N 1 1 324.385 -1.225 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001371984651 920321495 /nfs/dbraw/zinc/32/14/95/920321495.db2.gz WWXQSGWMOXRXSP-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001371984651 920321510 /nfs/dbraw/zinc/32/15/10/920321510.db2.gz WWXQSGWMOXRXSP-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@@H]1CCc2ncnn21 ZINC001372107197 920335498 /nfs/dbraw/zinc/33/54/98/920335498.db2.gz GKAJNXDIKLRVRY-AXFHLTTASA-N 1 1 306.370 -1.065 20 0 DAADMO CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001372093231 920337332 /nfs/dbraw/zinc/33/73/32/920337332.db2.gz RDULIYHLYXABFZ-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001372093231 920337348 /nfs/dbraw/zinc/33/73/48/920337348.db2.gz RDULIYHLYXABFZ-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001372136968 920338736 /nfs/dbraw/zinc/33/87/36/920338736.db2.gz STCJXKBCAAEUKH-VIFPVBQESA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001372136968 920338752 /nfs/dbraw/zinc/33/87/52/920338752.db2.gz STCJXKBCAAEUKH-VIFPVBQESA-N 1 1 316.387 -1.694 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001372170129 920342854 /nfs/dbraw/zinc/34/28/54/920342854.db2.gz FOOSWNWGSMIEFF-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001372170129 920342868 /nfs/dbraw/zinc/34/28/68/920342868.db2.gz FOOSWNWGSMIEFF-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)COCc1nncn1C ZINC001372169258 920343441 /nfs/dbraw/zinc/34/34/41/920343441.db2.gz SRZNDCSKACOFOP-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)COCc1nncn1C ZINC001372169258 920343455 /nfs/dbraw/zinc/34/34/55/920343455.db2.gz SRZNDCSKACOFOP-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001372203122 920344522 /nfs/dbraw/zinc/34/45/22/920344522.db2.gz IRNLXGNSZNESRT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001372203122 920344540 /nfs/dbraw/zinc/34/45/40/920344540.db2.gz IRNLXGNSZNESRT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001372189637 920344963 /nfs/dbraw/zinc/34/49/63/920344963.db2.gz NMSBQXWZNDNSQK-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001372189637 920344977 /nfs/dbraw/zinc/34/49/77/920344977.db2.gz NMSBQXWZNDNSQK-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)Cn1cncn1)S(C)(=O)=O ZINC001372219551 920346822 /nfs/dbraw/zinc/34/68/22/920346822.db2.gz IQDSCLWXSRJYHW-UHFFFAOYSA-N 1 1 318.403 -1.783 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)Cn1cncn1)S(C)(=O)=O ZINC001372219551 920346830 /nfs/dbraw/zinc/34/68/30/920346830.db2.gz IQDSCLWXSRJYHW-UHFFFAOYSA-N 1 1 318.403 -1.783 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CCn1cncn1 ZINC001372223981 920346872 /nfs/dbraw/zinc/34/68/72/920346872.db2.gz OMNREBNPEIIDKX-SNVBAGLBSA-N 1 1 316.387 -1.982 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1cc(C)ncn1 ZINC001372223169 920346923 /nfs/dbraw/zinc/34/69/23/920346923.db2.gz MGZUTEYKWXIEEA-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1cc(C)ncn1 ZINC001372223169 920346937 /nfs/dbraw/zinc/34/69/37/920346937.db2.gz MGZUTEYKWXIEEA-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372245517 920352276 /nfs/dbraw/zinc/35/22/76/920352276.db2.gz NNKPLEDAVWCWON-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+](CCNC(=O)c1cccnc1C(N)=O)[C@@H]1CCNC1=O ZINC001372238812 920352317 /nfs/dbraw/zinc/35/23/17/920352317.db2.gz LARMLKSCXZXUCH-SNVBAGLBSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccnc1C(N)=O)[C@@H]1CCNC1=O ZINC001372238812 920352333 /nfs/dbraw/zinc/35/23/33/920352333.db2.gz LARMLKSCXZXUCH-SNVBAGLBSA-N 1 1 305.338 -1.269 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001372239064 920353367 /nfs/dbraw/zinc/35/33/67/920353367.db2.gz YMOZAMUDHRLJHR-SNVBAGLBSA-N 1 1 310.354 -1.151 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372273321 920357550 /nfs/dbraw/zinc/35/75/50/920357550.db2.gz RVKGFMKEBJGTCF-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372273321 920357569 /nfs/dbraw/zinc/35/75/69/920357569.db2.gz RVKGFMKEBJGTCF-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001372286736 920359407 /nfs/dbraw/zinc/35/94/07/920359407.db2.gz YWOMVJZHJRCFJM-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001372264520 920359575 /nfs/dbraw/zinc/35/95/75/920359575.db2.gz URKBMUHTCPYPSZ-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(N)=O ZINC001372324099 920363369 /nfs/dbraw/zinc/36/33/69/920363369.db2.gz PJPQHCUWIIOWNM-UHFFFAOYSA-N 1 1 307.354 -1.265 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(N)=O ZINC001372324099 920363383 /nfs/dbraw/zinc/36/33/83/920363383.db2.gz PJPQHCUWIIOWNM-UHFFFAOYSA-N 1 1 307.354 -1.265 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001372317977 920365009 /nfs/dbraw/zinc/36/50/09/920365009.db2.gz MHHRPPDSTMWGPW-SECBINFHSA-N 1 1 314.342 -1.427 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001372317977 920365019 /nfs/dbraw/zinc/36/50/19/920365019.db2.gz MHHRPPDSTMWGPW-SECBINFHSA-N 1 1 314.342 -1.427 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCCNC1=O)[C@H](C)C(=O)NC ZINC001372359751 920365393 /nfs/dbraw/zinc/36/53/93/920365393.db2.gz JFPNJSUZXZBYQC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@H](C)C(=O)NC ZINC001372359751 920365404 /nfs/dbraw/zinc/36/54/04/920365404.db2.gz JFPNJSUZXZBYQC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001372347953 920365451 /nfs/dbraw/zinc/36/54/51/920365451.db2.gz YWXBFVLDAFAJAB-NWDGAFQWSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1cncn1C ZINC001372368875 920366773 /nfs/dbraw/zinc/36/67/73/920366773.db2.gz VOTXNFKJYMECSM-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1cncn1C ZINC001372368875 920366787 /nfs/dbraw/zinc/36/67/87/920366787.db2.gz VOTXNFKJYMECSM-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1nc2ccccn2c1=O)CC(N)=O ZINC001372392500 920368039 /nfs/dbraw/zinc/36/80/39/920368039.db2.gz VZITUNKSUKUKSZ-UHFFFAOYSA-N 1 1 320.353 -1.581 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nc2ccccn2c1=O)CC(N)=O ZINC001372392500 920368052 /nfs/dbraw/zinc/36/80/52/920368052.db2.gz VZITUNKSUKUKSZ-UHFFFAOYSA-N 1 1 320.353 -1.581 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H](C)C(N)=O ZINC001372384782 920368223 /nfs/dbraw/zinc/36/82/23/920368223.db2.gz SDLMMLBEGBVAJI-KOLCDFICSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H](C)C(N)=O ZINC001372384782 920368235 /nfs/dbraw/zinc/36/82/35/920368235.db2.gz SDLMMLBEGBVAJI-KOLCDFICSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CCn1cncn1 ZINC001372424139 920372787 /nfs/dbraw/zinc/37/27/87/920372787.db2.gz GNXKLORREQTRKX-JTQLQIEISA-N 1 1 323.357 -1.686 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@@H]1CCNC1=O ZINC001372470628 920373783 /nfs/dbraw/zinc/37/37/83/920373783.db2.gz WJEDTBPDKXDOSZ-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001372487588 920377967 /nfs/dbraw/zinc/37/79/67/920377967.db2.gz WWHBVDWLZBMZDZ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001372515042 920380642 /nfs/dbraw/zinc/38/06/42/920380642.db2.gz SUEHJOZELTYDLR-NSHDSACASA-N 1 1 324.385 -1.333 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001372513091 920381288 /nfs/dbraw/zinc/38/12/88/920381288.db2.gz SWPDFTULVPZKFR-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001372549745 920383435 /nfs/dbraw/zinc/38/34/35/920383435.db2.gz KFKHNMUWWKYUDL-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001372549745 920383446 /nfs/dbraw/zinc/38/34/46/920383446.db2.gz KFKHNMUWWKYUDL-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 ZINC001372545936 920384210 /nfs/dbraw/zinc/38/42/10/920384210.db2.gz IAVIKUDLKPTCSC-DCAQKATOSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001372540911 920384743 /nfs/dbraw/zinc/38/47/43/920384743.db2.gz KNMXPYJUYRCMGU-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001372540911 920384753 /nfs/dbraw/zinc/38/47/53/920384753.db2.gz KNMXPYJUYRCMGU-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001372554562 920386301 /nfs/dbraw/zinc/38/63/01/920386301.db2.gz MTUZGEJECCZOOK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372586577 920387043 /nfs/dbraw/zinc/38/70/43/920387043.db2.gz ADWHPHGXXNDDEA-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001372552123 920388187 /nfs/dbraw/zinc/38/81/87/920388187.db2.gz IRVCBZZKLPFYFA-SECBINFHSA-N 1 1 308.342 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001372552123 920388205 /nfs/dbraw/zinc/38/82/05/920388205.db2.gz IRVCBZZKLPFYFA-SECBINFHSA-N 1 1 308.342 -1.272 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372586571 920388260 /nfs/dbraw/zinc/38/82/60/920388260.db2.gz ADWHPHGXXNDDEA-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001372586573 920388352 /nfs/dbraw/zinc/38/83/52/920388352.db2.gz ADWHPHGXXNDDEA-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372653535 920394783 /nfs/dbraw/zinc/39/47/83/920394783.db2.gz QILRGCIIEUCOKW-VHSXEESVSA-N 1 1 316.358 -1.719 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001372619865 920396346 /nfs/dbraw/zinc/39/63/46/920396346.db2.gz WSAYXRAUBHVWMJ-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001372619865 920396361 /nfs/dbraw/zinc/39/63/61/920396361.db2.gz WSAYXRAUBHVWMJ-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001372643088 920396410 /nfs/dbraw/zinc/39/64/10/920396410.db2.gz WLCDVPPUPVANSL-SNVBAGLBSA-N 1 1 310.358 -2.234 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)NC ZINC001372686263 920397648 /nfs/dbraw/zinc/39/76/48/920397648.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)NC ZINC001372686263 920397661 /nfs/dbraw/zinc/39/76/61/920397661.db2.gz AKPPVXHGQVWPPN-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001372666586 920397750 /nfs/dbraw/zinc/39/77/50/920397750.db2.gz PMAGYJXWFQPPLA-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001372671771 920397957 /nfs/dbraw/zinc/39/79/57/920397957.db2.gz ZXPPZAPGJYPGMD-BDAKNGLRSA-N 1 1 324.341 -1.035 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001372670671 920398840 /nfs/dbraw/zinc/39/88/40/920398840.db2.gz KWLWPPQTYCRSFD-VIFPVBQESA-N 1 1 306.388 -2.280 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001372677328 920400087 /nfs/dbraw/zinc/40/00/87/920400087.db2.gz DKTXBMILZJFBEW-LLVKDONJSA-N 1 1 323.397 -1.088 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001372703937 920401787 /nfs/dbraw/zinc/40/17/87/920401787.db2.gz SESYFQCZUWXTQL-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001372722810 920401867 /nfs/dbraw/zinc/40/18/67/920401867.db2.gz PXYDTFHOKRDTJL-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001372721417 920403188 /nfs/dbraw/zinc/40/31/88/920403188.db2.gz RGMMJFABXNRFGY-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001372726130 920403297 /nfs/dbraw/zinc/40/32/97/920403297.db2.gz JYGJJUSEXSDHJK-SRRSOLGSSA-N 1 1 323.397 -1.419 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]32)C1 ZINC001372706992 920403405 /nfs/dbraw/zinc/40/34/05/920403405.db2.gz ONNSZFISVQFAEZ-DCQANWLSSA-N 1 1 323.397 -1.431 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001372730714 920405026 /nfs/dbraw/zinc/40/50/26/920405026.db2.gz UHBVYSRBLAASLK-IAZYJMLFSA-N 1 1 321.385 -1.262 20 0 DAADMO Cn1cc(CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)cn1 ZINC001372768749 920408425 /nfs/dbraw/zinc/40/84/25/920408425.db2.gz CDRKARPAJHAOSX-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cc(CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)cn1 ZINC001372768749 920408438 /nfs/dbraw/zinc/40/84/38/920408438.db2.gz CDRKARPAJHAOSX-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001372811769 920415902 /nfs/dbraw/zinc/41/59/02/920415902.db2.gz DORGZBBXRREAPZ-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001372811769 920415911 /nfs/dbraw/zinc/41/59/11/920415911.db2.gz DORGZBBXRREAPZ-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813358 920416075 /nfs/dbraw/zinc/41/60/75/920416075.db2.gz BYPQCGDIVGEILJ-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813358 920416082 /nfs/dbraw/zinc/41/60/82/920416082.db2.gz BYPQCGDIVGEILJ-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)cc1=O ZINC001372807258 920417295 /nfs/dbraw/zinc/41/72/95/920417295.db2.gz GUPLGLISJIWJGZ-LBPRGKRZSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)cc1=O ZINC001372807258 920417309 /nfs/dbraw/zinc/41/73/09/920417309.db2.gz GUPLGLISJIWJGZ-LBPRGKRZSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1[nH]nnc1C)C1CC1 ZINC001372838754 920420277 /nfs/dbraw/zinc/42/02/77/920420277.db2.gz AQMSPAMGQBTHMX-UHFFFAOYSA-N 1 1 323.357 -1.237 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1[nH]nnc1C)C1CC1 ZINC001372838754 920420288 /nfs/dbraw/zinc/42/02/88/920420288.db2.gz AQMSPAMGQBTHMX-UHFFFAOYSA-N 1 1 323.357 -1.237 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001372845057 920422645 /nfs/dbraw/zinc/42/26/45/920422645.db2.gz VFCNLWRJRWTIRN-UHFFFAOYSA-N 1 1 311.386 -2.255 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001372845057 920422651 /nfs/dbraw/zinc/42/26/51/920422651.db2.gz VFCNLWRJRWTIRN-UHFFFAOYSA-N 1 1 311.386 -2.255 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)CCNC(N)=O ZINC001372867094 920424180 /nfs/dbraw/zinc/42/41/80/920424180.db2.gz QIPJDISZXZSOOD-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372853237 920424715 /nfs/dbraw/zinc/42/47/15/920424715.db2.gz XXVBWEBGPROAIE-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001372857938 920425088 /nfs/dbraw/zinc/42/50/88/920425088.db2.gz GFGNHCSWFWAOKX-LLVKDONJSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001372861387 920425514 /nfs/dbraw/zinc/42/55/14/920425514.db2.gz RNHSXXXHLOPEQX-CBAPKCEASA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001372861387 920425525 /nfs/dbraw/zinc/42/55/25/920425525.db2.gz RNHSXXXHLOPEQX-CBAPKCEASA-N 1 1 311.342 -1.961 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)CCNC(N)=O ZINC001372867112 920425648 /nfs/dbraw/zinc/42/56/48/920425648.db2.gz QIPJDISZXZSOOD-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001372877453 920426797 /nfs/dbraw/zinc/42/67/97/920426797.db2.gz ARYSBROADWGGPW-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CNC(=O)C1CC1)c1nnnn1C ZINC001372917739 920434837 /nfs/dbraw/zinc/43/48/37/920434837.db2.gz FKUPLMWGOKUECF-VIFPVBQESA-N 1 1 309.374 -1.155 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001372976504 920443773 /nfs/dbraw/zinc/44/37/73/920443773.db2.gz UDLHHBGLRDBDQV-SCZZXKLOSA-N 1 1 308.342 -1.506 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COC ZINC001373050246 920453881 /nfs/dbraw/zinc/45/38/81/920453881.db2.gz ZGLYDGITORWXFM-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093944 920459341 /nfs/dbraw/zinc/45/93/41/920459341.db2.gz AXVJNLIMDILRBG-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093944 920459358 /nfs/dbraw/zinc/45/93/58/920459358.db2.gz AXVJNLIMDILRBG-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373191012 920466207 /nfs/dbraw/zinc/46/62/07/920466207.db2.gz KVFORHKPSKTKBS-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001373232700 920468127 /nfs/dbraw/zinc/46/81/27/920468127.db2.gz LRDQUQZDCQRONZ-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001373255330 920468393 /nfs/dbraw/zinc/46/83/93/920468393.db2.gz VLWJKIIEEKKMJM-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO CN(CCN1CCN(CC(N)=O)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001373251968 920470050 /nfs/dbraw/zinc/47/00/50/920470050.db2.gz SDGWRZCCEBYVMI-CYBMUJFWSA-N 1 1 311.430 -1.358 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001373295608 920472587 /nfs/dbraw/zinc/47/25/87/920472587.db2.gz WJSDKOGKZXCVSM-GHMZBOCLSA-N 1 1 312.374 -1.389 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001373289047 920472749 /nfs/dbraw/zinc/47/27/49/920472749.db2.gz GVGUBSSNYUAWMT-NSHDSACASA-N 1 1 321.385 -1.164 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001373287639 920473647 /nfs/dbraw/zinc/47/36/47/920473647.db2.gz IFCQKZHBYMOJKX-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001373305287 920476643 /nfs/dbraw/zinc/47/66/43/920476643.db2.gz UNLFBJMDMHCRJF-VIFPVBQESA-N 1 1 307.354 -1.007 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373369378 920481501 /nfs/dbraw/zinc/48/15/01/920481501.db2.gz FLATZBVNYOASSE-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373369378 920481518 /nfs/dbraw/zinc/48/15/18/920481518.db2.gz FLATZBVNYOASSE-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1CS(=O)(=O)C1 ZINC001373376605 920484818 /nfs/dbraw/zinc/48/48/18/920484818.db2.gz ATKRVTWPWGSTKM-NSHDSACASA-N 1 1 317.411 -1.300 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001373389332 920485155 /nfs/dbraw/zinc/48/51/55/920485155.db2.gz VDJOEYDQDWJVGH-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c(=O)cn1 ZINC001373388117 920485245 /nfs/dbraw/zinc/48/52/45/920485245.db2.gz GOWYTYYZZMDRAT-LLVKDONJSA-N 1 1 323.353 -1.711 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c(=O)cn1 ZINC001373388117 920485253 /nfs/dbraw/zinc/48/52/53/920485253.db2.gz GOWYTYYZZMDRAT-LLVKDONJSA-N 1 1 323.353 -1.711 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001373411956 920488721 /nfs/dbraw/zinc/48/87/21/920488721.db2.gz QLSARILEXXSOMY-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO CN(CCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)S(C)(=O)=O ZINC001373414527 920491904 /nfs/dbraw/zinc/49/19/04/920491904.db2.gz ACVONCFHAZXBLN-LBPRGKRZSA-N 1 1 318.443 -1.228 20 0 DAADMO CCn1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001373428329 920493534 /nfs/dbraw/zinc/49/35/34/920493534.db2.gz UHQAJEAPSQBWMS-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001373428329 920493543 /nfs/dbraw/zinc/49/35/43/920493543.db2.gz UHQAJEAPSQBWMS-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001373433137 920497484 /nfs/dbraw/zinc/49/74/84/920497484.db2.gz HCKRSOYRGDMYJY-NEPJUHHUSA-N 1 1 323.397 -1.001 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373451501 920498661 /nfs/dbraw/zinc/49/86/61/920498661.db2.gz UZHSUQIGWBRFBH-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001373453594 920501976 /nfs/dbraw/zinc/50/19/76/920501976.db2.gz FLGTVJFVSLXLDR-SNVBAGLBSA-N 1 1 305.400 -1.443 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001373492003 920509808 /nfs/dbraw/zinc/50/98/08/920509808.db2.gz VYAQWIWXGWAZAF-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001373534508 920516188 /nfs/dbraw/zinc/51/61/88/920516188.db2.gz DNZYPEGVGFASPZ-DTWKUNHWSA-N 1 1 320.415 -1.893 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001373519913 920517176 /nfs/dbraw/zinc/51/71/76/920517176.db2.gz RZBUNEDXXHMZLN-JTQLQIEISA-N 1 1 310.358 -2.106 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001373519914 920517336 /nfs/dbraw/zinc/51/73/36/920517336.db2.gz RZBUNEDXXHMZLN-SNVBAGLBSA-N 1 1 310.358 -2.106 20 0 DAADMO Cc1nonc1C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373537067 920518452 /nfs/dbraw/zinc/51/84/52/920518452.db2.gz UCIGEBWGVIPBIR-SNVBAGLBSA-N 1 1 311.342 -1.103 20 0 DAADMO Cc1nonc1C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373537067 920518464 /nfs/dbraw/zinc/51/84/64/920518464.db2.gz UCIGEBWGVIPBIR-SNVBAGLBSA-N 1 1 311.342 -1.103 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001373549107 920519878 /nfs/dbraw/zinc/51/98/78/920519878.db2.gz FIAVSRHJUOZCOC-SNVBAGLBSA-N 1 1 311.386 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCO1 ZINC001373565212 920525033 /nfs/dbraw/zinc/52/50/33/920525033.db2.gz YVDBZRMPDDERQA-CYDGBPFRSA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCO1 ZINC001373565212 920525045 /nfs/dbraw/zinc/52/50/45/920525045.db2.gz YVDBZRMPDDERQA-CYDGBPFRSA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC(=O)C1 ZINC001373571184 920526061 /nfs/dbraw/zinc/52/60/61/920526061.db2.gz OYZYDORQDIWHNU-ZDEQEGDKSA-N 1 1 311.382 -1.195 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)C1(NC(N)=O)CC1 ZINC001373570401 920528011 /nfs/dbraw/zinc/52/80/11/920528011.db2.gz RBTPSCVORJUTJE-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373599902 920529656 /nfs/dbraw/zinc/52/96/56/920529656.db2.gz NQBKSGLLRUIUGA-IUCAKERBSA-N 1 1 319.387 -2.881 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373599902 920529672 /nfs/dbraw/zinc/52/96/72/920529672.db2.gz NQBKSGLLRUIUGA-IUCAKERBSA-N 1 1 319.387 -2.881 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373594805 920530659 /nfs/dbraw/zinc/53/06/59/920530659.db2.gz CBLBBWJKKARTNN-IHRRRGAJSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373610166 920534785 /nfs/dbraw/zinc/53/47/85/920534785.db2.gz OUQAKMGZHMFREJ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373610166 920534796 /nfs/dbraw/zinc/53/47/96/920534796.db2.gz OUQAKMGZHMFREJ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001373607901 920534956 /nfs/dbraw/zinc/53/49/56/920534956.db2.gz ZYNKHBKDQIINPE-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001373607901 920534969 /nfs/dbraw/zinc/53/49/69/920534969.db2.gz ZYNKHBKDQIINPE-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001373621673 920536840 /nfs/dbraw/zinc/53/68/40/920536840.db2.gz BPCBDBDWWCNDHN-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001373625029 920536960 /nfs/dbraw/zinc/53/69/60/920536960.db2.gz ZCHYLFCZVQCOQN-GXSJLCMTSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001373625029 920536974 /nfs/dbraw/zinc/53/69/74/920536974.db2.gz ZCHYLFCZVQCOQN-GXSJLCMTSA-N 1 1 322.369 -1.264 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001373639440 920540241 /nfs/dbraw/zinc/54/02/41/920540241.db2.gz ZTPWEVNEQIFXEK-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001373639440 920540254 /nfs/dbraw/zinc/54/02/54/920540254.db2.gz ZTPWEVNEQIFXEK-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373630514 920541808 /nfs/dbraw/zinc/54/18/08/920541808.db2.gz LUCAGLVLNVEMEA-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373630514 920541820 /nfs/dbraw/zinc/54/18/20/920541820.db2.gz LUCAGLVLNVEMEA-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001373641854 920542526 /nfs/dbraw/zinc/54/25/26/920542526.db2.gz GZDCXMLEYBDYRA-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001373645675 920543584 /nfs/dbraw/zinc/54/35/84/920543584.db2.gz WDCGFCZVXUHNTO-UTLUCORTSA-N 1 1 314.342 -2.218 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649784 920544922 /nfs/dbraw/zinc/54/49/22/920544922.db2.gz NHIMLXXBTWBQHB-RKDXNWHRSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649784 920544934 /nfs/dbraw/zinc/54/49/34/920544934.db2.gz NHIMLXXBTWBQHB-RKDXNWHRSA-N 1 1 309.330 -1.948 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001373675526 920548287 /nfs/dbraw/zinc/54/82/87/920548287.db2.gz YMGOQUYZWPTQQU-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001373675526 920548293 /nfs/dbraw/zinc/54/82/93/920548293.db2.gz YMGOQUYZWPTQQU-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689338 920548313 /nfs/dbraw/zinc/54/83/13/920548313.db2.gz PSEUHJWWJSSJQK-VHSXEESVSA-N 1 1 323.357 -1.606 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689338 920548321 /nfs/dbraw/zinc/54/83/21/920548321.db2.gz PSEUHJWWJSSJQK-VHSXEESVSA-N 1 1 323.357 -1.606 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373706310 920552697 /nfs/dbraw/zinc/55/26/97/920552697.db2.gz CJKITKRPWPQBDA-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373706310 920552712 /nfs/dbraw/zinc/55/27/12/920552712.db2.gz CJKITKRPWPQBDA-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001373711828 920553477 /nfs/dbraw/zinc/55/34/77/920553477.db2.gz RQZIPQRDHIKDOF-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CN2CN=NC2=O)C1 ZINC001373697088 920553768 /nfs/dbraw/zinc/55/37/68/920553768.db2.gz MBPUXFSDPXMWBM-LLVKDONJSA-N 1 1 324.385 -1.100 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373707531 920553801 /nfs/dbraw/zinc/55/38/01/920553801.db2.gz IKSOOOFJWCMYMX-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373707531 920553807 /nfs/dbraw/zinc/55/38/07/920553807.db2.gz IKSOOOFJWCMYMX-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001373711668 920553966 /nfs/dbraw/zinc/55/39/66/920553966.db2.gz WDODLCMFCBWAIZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001373711668 920553974 /nfs/dbraw/zinc/55/39/74/920553974.db2.gz WDODLCMFCBWAIZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CC[C@H](CNC(=O)c1cnn(C)c1N)[NH2+]Cc1nnnn1C ZINC001373750856 920559030 /nfs/dbraw/zinc/55/90/30/920559030.db2.gz WTTYZPZWUXSUPK-MRVPVSSYSA-N 1 1 307.362 -1.176 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cn(CC)nn1 ZINC001373754713 920559467 /nfs/dbraw/zinc/55/94/67/920559467.db2.gz RWAUFWVXHUDGRS-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001373757622 920559688 /nfs/dbraw/zinc/55/96/88/920559688.db2.gz CAHDJHMSQXOHTJ-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001373780054 920562255 /nfs/dbraw/zinc/56/22/55/920562255.db2.gz LAPLNTYTZOXAHB-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001373807585 920564085 /nfs/dbraw/zinc/56/40/85/920564085.db2.gz KWWCPNRWWLLCNW-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CC[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCOCC1 ZINC001373807585 920564094 /nfs/dbraw/zinc/56/40/94/920564094.db2.gz KWWCPNRWWLLCNW-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001373843201 920566051 /nfs/dbraw/zinc/56/60/51/920566051.db2.gz PHVMHENZRJWXCH-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)nnn1C ZINC001373995680 920574004 /nfs/dbraw/zinc/57/40/04/920574004.db2.gz FXHMBEDJAJMTFS-QMMMGPOBSA-N 1 1 307.362 -1.197 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001374011391 920577055 /nfs/dbraw/zinc/57/70/55/920577055.db2.gz GDEDVLZUEOQNAY-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001374087657 920580255 /nfs/dbraw/zinc/58/02/55/920580255.db2.gz SFFLAMQHZXLBEY-JTQLQIEISA-N 1 1 310.358 -1.381 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)N1CCOCC1 ZINC001374087657 920580270 /nfs/dbraw/zinc/58/02/70/920580270.db2.gz SFFLAMQHZXLBEY-JTQLQIEISA-N 1 1 310.358 -1.381 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1nnn(C)n1 ZINC001374116509 920582742 /nfs/dbraw/zinc/58/27/42/920582742.db2.gz VZUZUCRKKFODGR-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001374123534 920586335 /nfs/dbraw/zinc/58/63/35/920586335.db2.gz YOIAGOZEAUFVQJ-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001374128372 920586685 /nfs/dbraw/zinc/58/66/85/920586685.db2.gz IWEUDOWZGZSULF-LBPRGKRZSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001374128372 920586699 /nfs/dbraw/zinc/58/66/99/920586699.db2.gz IWEUDOWZGZSULF-LBPRGKRZSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001374136079 920589752 /nfs/dbraw/zinc/58/97/52/920589752.db2.gz NYORXMCYWXCXRR-NSHDSACASA-N 1 1 322.431 -1.392 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001374136079 920589758 /nfs/dbraw/zinc/58/97/58/920589758.db2.gz NYORXMCYWXCXRR-NSHDSACASA-N 1 1 322.431 -1.392 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C(=O)CNC(N)=O)C1CC1 ZINC001374235045 920595912 /nfs/dbraw/zinc/59/59/12/920595912.db2.gz HFURIHGWGIWSCL-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001374266461 920599715 /nfs/dbraw/zinc/59/97/15/920599715.db2.gz FMDWTFJHKBZJMW-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001374413027 920605020 /nfs/dbraw/zinc/60/50/20/920605020.db2.gz ARUNOQTWSBOPJJ-JTQLQIEISA-N 1 1 311.390 -1.033 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]Cc1nnnn1C ZINC001374429136 920605924 /nfs/dbraw/zinc/60/59/24/920605924.db2.gz HXSHQUCJQFUUSP-NXEZZACHSA-N 1 1 311.390 -1.048 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374464505 920606098 /nfs/dbraw/zinc/60/60/98/920606098.db2.gz MLKALOGOEVHOCR-SNVBAGLBSA-N 1 1 310.358 -1.143 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374464505 920606103 /nfs/dbraw/zinc/60/61/03/920606103.db2.gz MLKALOGOEVHOCR-SNVBAGLBSA-N 1 1 310.358 -1.143 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001374498137 920608306 /nfs/dbraw/zinc/60/83/06/920608306.db2.gz SSPDACBXVVVHTP-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001374498137 920608315 /nfs/dbraw/zinc/60/83/15/920608315.db2.gz SSPDACBXVVVHTP-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001374512037 920608446 /nfs/dbraw/zinc/60/84/46/920608446.db2.gz DVQFAYBFAYGVBV-SECBINFHSA-N 1 1 311.342 -1.787 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001374512037 920608452 /nfs/dbraw/zinc/60/84/52/920608452.db2.gz DVQFAYBFAYGVBV-SECBINFHSA-N 1 1 311.342 -1.787 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001374486013 920608585 /nfs/dbraw/zinc/60/85/85/920608585.db2.gz OUSMTACKTNSGOP-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001374504369 920608852 /nfs/dbraw/zinc/60/88/52/920608852.db2.gz XKMXYECXMFZKKN-UHFFFAOYSA-N 1 1 323.419 -2.145 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001374504369 920608862 /nfs/dbraw/zinc/60/88/62/920608862.db2.gz XKMXYECXMFZKKN-UHFFFAOYSA-N 1 1 323.419 -2.145 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cccc(=O)[nH]1 ZINC001374478769 920609671 /nfs/dbraw/zinc/60/96/71/920609671.db2.gz HDUMEUYNFOCJTL-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cccc(=O)[nH]1 ZINC001374478769 920609681 /nfs/dbraw/zinc/60/96/81/920609681.db2.gz HDUMEUYNFOCJTL-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001374530876 920611798 /nfs/dbraw/zinc/61/17/98/920611798.db2.gz YIYUXFALZVBUCQ-NEPJUHHUSA-N 1 1 324.385 -1.684 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374521100 920612162 /nfs/dbraw/zinc/61/21/62/920612162.db2.gz TUKXKBMQBFFSNP-QWRGUYRKSA-N 1 1 302.375 -1.593 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001374565782 920615205 /nfs/dbraw/zinc/61/52/05/920615205.db2.gz NWOFEJMQFUSLPY-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556239 920616493 /nfs/dbraw/zinc/61/64/93/920616493.db2.gz REYBGYSJPOPWGV-WDEREUQCSA-N 1 1 313.402 -1.088 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001374556588 920616979 /nfs/dbraw/zinc/61/69/79/920616979.db2.gz KPFOQVMGMULCEV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001374556588 920616991 /nfs/dbraw/zinc/61/69/91/920616991.db2.gz KPFOQVMGMULCEV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cccn1 ZINC001374578858 920619205 /nfs/dbraw/zinc/61/92/05/920619205.db2.gz CQFFJKSOMUWLDW-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cn2cccn2)n1 ZINC001374581892 920621945 /nfs/dbraw/zinc/62/19/45/920621945.db2.gz RUDGGQUJEIPVMG-LBPRGKRZSA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1nnsc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374580629 920622231 /nfs/dbraw/zinc/62/22/31/920622231.db2.gz JZVFYQRHAIETDS-SECBINFHSA-N 1 1 311.371 -1.144 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1 ZINC001374581127 920622270 /nfs/dbraw/zinc/62/22/70/920622270.db2.gz ARPLUSGEQHOLBL-JTQLQIEISA-N 1 1 300.315 -1.094 20 0 DAADMO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001374585699 920625495 /nfs/dbraw/zinc/62/54/95/920625495.db2.gz TWDJVIALRRPLGD-VIFPVBQESA-N 1 1 304.372 -1.969 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)nnn1C ZINC001374588194 920625693 /nfs/dbraw/zinc/62/56/93/920625693.db2.gz MOAWRTXOCZKCPO-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cccn1 ZINC001374588478 920625750 /nfs/dbraw/zinc/62/57/50/920625750.db2.gz SSYXLGTXCNXZKB-ZYHUDNBSSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n(C)n1 ZINC001374586524 920626392 /nfs/dbraw/zinc/62/63/92/920626392.db2.gz ZDJFGRWBINEEJL-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001374588732 920627448 /nfs/dbraw/zinc/62/74/48/920627448.db2.gz FYAVKMCNZRZOOI-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374588885 920629091 /nfs/dbraw/zinc/62/90/91/920629091.db2.gz GONVNVGQNQTYEA-JTQLQIEISA-N 1 1 320.357 -1.378 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccnn1C)c1nncn1C ZINC001374590073 920629476 /nfs/dbraw/zinc/62/94/76/920629476.db2.gz KJTNPLAYDZXRKE-NXEZZACHSA-N 1 1 307.358 -1.010 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCC(=O)N1 ZINC001374593517 920632365 /nfs/dbraw/zinc/63/23/65/920632365.db2.gz YCLDDHXRVJJYJS-NXEZZACHSA-N 1 1 323.357 -2.147 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374597213 920634415 /nfs/dbraw/zinc/63/44/15/920634415.db2.gz FADFKOGUWGVQQE-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001374597928 920634581 /nfs/dbraw/zinc/63/45/81/920634581.db2.gz ZHCWZHITFVGJPS-BXUZGUMPSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001374595772 920635074 /nfs/dbraw/zinc/63/50/74/920635074.db2.gz XLCXOJNZNPNLHQ-VHSXEESVSA-N 1 1 311.342 -1.529 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374599193 920636056 /nfs/dbraw/zinc/63/60/56/920636056.db2.gz HCMWBVZWSRFJPY-NSHDSACASA-N 1 1 324.385 -1.120 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)[nH]1 ZINC001374596311 920636094 /nfs/dbraw/zinc/63/60/94/920636094.db2.gz ZIQALAWDOMLMTQ-ZJUUUORDSA-N 1 1 311.342 -1.367 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001374598437 920636247 /nfs/dbraw/zinc/63/62/47/920636247.db2.gz KGCUZPAOIVSQKL-VIFPVBQESA-N 1 1 311.371 -1.213 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)nc1 ZINC001374598814 920636422 /nfs/dbraw/zinc/63/64/22/920636422.db2.gz ANEUHMLCPFGDKA-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374599561 920636503 /nfs/dbraw/zinc/63/65/03/920636503.db2.gz JRTJRISQLZYHPY-ZJUUUORDSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)n[nH]1 ZINC001374600309 920637339 /nfs/dbraw/zinc/63/73/39/920637339.db2.gz MTQAESFYCKLFGI-SNVBAGLBSA-N 1 1 310.358 -1.999 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1)c1nncn1C ZINC001374599921 920639302 /nfs/dbraw/zinc/63/93/02/920639302.db2.gz FMCXUGBHGFHQPV-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001374600524 920639362 /nfs/dbraw/zinc/63/93/62/920639362.db2.gz PODUBHBWGGTFNL-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)n[nH]1 ZINC001374600303 920639462 /nfs/dbraw/zinc/63/94/62/920639462.db2.gz MTQAESFYCKLFGI-JTQLQIEISA-N 1 1 310.358 -1.999 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)nc1 ZINC001374605123 920641482 /nfs/dbraw/zinc/64/14/82/920641482.db2.gz VTFVUFXEDOUABJ-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn3c(n2)CCC3)nn1 ZINC001374604331 920641969 /nfs/dbraw/zinc/64/19/69/920641969.db2.gz LCCBUUSDADBIJJ-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001374613567 920646554 /nfs/dbraw/zinc/64/65/54/920646554.db2.gz VAKQAJDRHAEZEN-PWSUYJOCSA-N 1 1 324.385 -1.657 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N1CCC1 ZINC001374615332 920646909 /nfs/dbraw/zinc/64/69/09/920646909.db2.gz JTULWSJHNJZLKM-QJPTWQEYSA-N 1 1 321.381 -1.188 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001374613779 920647409 /nfs/dbraw/zinc/64/74/09/920647409.db2.gz FDYBYAMQLVVEEP-NEPJUHHUSA-N 1 1 321.381 -1.040 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001374613568 920648675 /nfs/dbraw/zinc/64/86/75/920648675.db2.gz VAKQAJDRHAEZEN-ZYHUDNBSSA-N 1 1 324.385 -1.657 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnc[nH]c2=O)n1 ZINC001374616443 920650922 /nfs/dbraw/zinc/65/09/22/920650922.db2.gz SJNYMHPHDMTOJJ-JTQLQIEISA-N 1 1 321.341 -1.326 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001374616904 920651399 /nfs/dbraw/zinc/65/13/99/920651399.db2.gz IXHNCAKPMARTEK-BDAKNGLRSA-N 1 1 319.387 -2.185 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001374616913 920651818 /nfs/dbraw/zinc/65/18/18/920651818.db2.gz IXHNCAKPMARTEK-RKDXNWHRSA-N 1 1 319.387 -2.185 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)nn1 ZINC001374616005 920652421 /nfs/dbraw/zinc/65/24/21/920652421.db2.gz PEFMROJDSROZDQ-JQWIXIFHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001374619724 920653616 /nfs/dbraw/zinc/65/36/16/920653616.db2.gz SCACJECBGPEUML-NSHDSACASA-N 1 1 323.332 -1.446 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)n1 ZINC001374623213 920654401 /nfs/dbraw/zinc/65/44/01/920654401.db2.gz CGBRSBAHAGNRIR-CMPLNLGQSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001374618870 920654581 /nfs/dbraw/zinc/65/45/81/920654581.db2.gz XOBBRRGCYUOIKF-QWRGUYRKSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001374618867 920654958 /nfs/dbraw/zinc/65/49/58/920654958.db2.gz XOBBRRGCYUOIKF-MNOVXSKESA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001374618864 920655508 /nfs/dbraw/zinc/65/55/08/920655508.db2.gz XOBBRRGCYUOIKF-GHMZBOCLSA-N 1 1 324.385 -1.702 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001374626802 920656560 /nfs/dbraw/zinc/65/65/60/920656560.db2.gz VHGBWLSKZWPQIF-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001374633184 920662162 /nfs/dbraw/zinc/66/21/62/920662162.db2.gz MWKCNSLJQULWIE-GHMZBOCLSA-N 1 1 322.369 -1.625 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001374635052 920663497 /nfs/dbraw/zinc/66/34/97/920663497.db2.gz GTKMAFBAKXHEJV-GXFFZTMASA-N 1 1 315.349 -1.007 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374637478 920664498 /nfs/dbraw/zinc/66/44/98/920664498.db2.gz MQWMHOZMARGBQX-UWVGGRQHSA-N 1 1 312.374 -1.439 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)c2[nH]nnc2C)n1 ZINC001374638583 920665721 /nfs/dbraw/zinc/66/57/21/920665721.db2.gz QHLCWPDJDSBWAG-JTQLQIEISA-N 1 1 322.373 -1.087 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 ZINC001374641314 920667804 /nfs/dbraw/zinc/66/78/04/920667804.db2.gz ZSHGSJCAGBWNFS-PWSUYJOCSA-N 1 1 301.322 -1.490 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001374648404 920672541 /nfs/dbraw/zinc/67/25/41/920672541.db2.gz DTABZSKSDQQEBF-UHFFFAOYSA-N 1 1 317.411 -1.302 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2CC)nn1 ZINC001374656343 920674096 /nfs/dbraw/zinc/67/40/96/920674096.db2.gz GGRYAQWJLRMWSU-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374653471 920674264 /nfs/dbraw/zinc/67/42/64/920674264.db2.gz SSUBBDBFUQJDBP-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO COc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374653472 920675908 /nfs/dbraw/zinc/67/59/08/920675908.db2.gz SSUBBDBFUQJDBP-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001374656638 920675983 /nfs/dbraw/zinc/67/59/83/920675983.db2.gz HGBIIPUHAYCPEQ-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)NC1CC1 ZINC001374665791 920680314 /nfs/dbraw/zinc/68/03/14/920680314.db2.gz HNGUCBFXXNTCEB-WPRPVWTQSA-N 1 1 310.358 -1.919 20 0 DAADMO COCc1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374666849 920680573 /nfs/dbraw/zinc/68/05/73/920680573.db2.gz PKPPLGKEGQSITC-SNVBAGLBSA-N 1 1 324.341 -1.170 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001374667636 920681915 /nfs/dbraw/zinc/68/19/15/920681915.db2.gz WQIADBZDTPHUDG-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1)c1ncccn1 ZINC001374666903 920682332 /nfs/dbraw/zinc/68/23/32/920682332.db2.gz QAXLGKFLYSSEHX-UWVGGRQHSA-N 1 1 305.342 -1.035 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001374672544 920684352 /nfs/dbraw/zinc/68/43/52/920684352.db2.gz ONDNEMVMKZPKKY-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)nn1 ZINC001374672888 920685432 /nfs/dbraw/zinc/68/54/32/920685432.db2.gz ANLYJXZLNJFYNP-JTQLQIEISA-N 1 1 323.357 -2.267 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001374671914 920685802 /nfs/dbraw/zinc/68/58/02/920685802.db2.gz RBNCKQDWLTUTMS-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)n1 ZINC001374677797 920687839 /nfs/dbraw/zinc/68/78/39/920687839.db2.gz GQEBXJDJTNDLGA-NSHDSACASA-N 1 1 305.342 -1.357 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)no1 ZINC001374678864 920689524 /nfs/dbraw/zinc/68/95/24/920689524.db2.gz XAUGXHCFDKVEQH-NSHDSACASA-N 1 1 323.353 -1.099 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001374681746 920690097 /nfs/dbraw/zinc/69/00/97/920690097.db2.gz QHJABULOZKWXQT-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001374687192 920693557 /nfs/dbraw/zinc/69/35/57/920693557.db2.gz ZLFGONYMTGEVMI-SECBINFHSA-N 1 1 322.412 -1.741 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cn2ccnc2)C1 ZINC001374710105 920696450 /nfs/dbraw/zinc/69/64/50/920696450.db2.gz OWWSAUGQGICIHL-UHFFFAOYSA-N 1 1 321.381 -1.068 20 0 DAADMO CC(C)[C@@H](C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001374728167 920698318 /nfs/dbraw/zinc/69/83/18/920698318.db2.gz IUMORZUKGRNICA-LBPRGKRZSA-N 1 1 319.427 -1.056 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CNC(=O)NC)C1 ZINC001374726999 920699668 /nfs/dbraw/zinc/69/96/68/920699668.db2.gz BBXOQCHMTHTADH-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001374762875 920703914 /nfs/dbraw/zinc/70/39/14/920703914.db2.gz GFZYXEUYAAZTJQ-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCn3cnnn3)C2)C1 ZINC001374746354 920705146 /nfs/dbraw/zinc/70/51/46/920705146.db2.gz ZQIJMFREVQTFFI-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001374776680 920706669 /nfs/dbraw/zinc/70/66/69/920706669.db2.gz ULIBNZFDMRFFIN-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncccn1 ZINC001374775119 920708136 /nfs/dbraw/zinc/70/81/36/920708136.db2.gz NVVVCRUUGNOYPM-SNVBAGLBSA-N 1 1 322.369 -1.677 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001374785453 920709075 /nfs/dbraw/zinc/70/90/75/920709075.db2.gz XSFHOVXTUHZYKW-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCn1ncn(C)c1=O ZINC001374788490 920710485 /nfs/dbraw/zinc/71/04/85/920710485.db2.gz PBCRAFCJQHAUPT-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001374798854 920711559 /nfs/dbraw/zinc/71/15/59/920711559.db2.gz LTMVNNRGSYKFQH-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374812121 920714391 /nfs/dbraw/zinc/71/43/91/920714391.db2.gz MVTMKQGTBFAVQK-SNVBAGLBSA-N 1 1 313.358 -2.440 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374812121 920714404 /nfs/dbraw/zinc/71/44/04/920714404.db2.gz MVTMKQGTBFAVQK-SNVBAGLBSA-N 1 1 313.358 -2.440 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001374809902 920716066 /nfs/dbraw/zinc/71/60/66/920716066.db2.gz ASVGQGFALZOHRN-DVVUODLYSA-N 1 1 310.358 -1.558 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001374842072 920717372 /nfs/dbraw/zinc/71/73/72/920717372.db2.gz FDYOBTAEUKMEEC-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001374850763 920722088 /nfs/dbraw/zinc/72/20/88/920722088.db2.gz WOJJHCSWOKOHEL-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCS(C)(=O)=O ZINC001374904606 920725781 /nfs/dbraw/zinc/72/57/81/920725781.db2.gz MDNLIDNVDCTSRS-QMMMGPOBSA-N 1 1 304.376 -1.761 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001374892351 920726592 /nfs/dbraw/zinc/72/65/92/920726592.db2.gz UGRGHJXWCWWXSN-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001374922106 920730149 /nfs/dbraw/zinc/73/01/49/920730149.db2.gz LTMVNNRGSYKFQH-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001374925348 920730498 /nfs/dbraw/zinc/73/04/98/920730498.db2.gz GSDKVTWLLXGTKZ-JOYOIKCWSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001374980829 920732752 /nfs/dbraw/zinc/73/27/52/920732752.db2.gz BMVDRTXLXOJFSR-WPRPVWTQSA-N 1 1 307.358 -1.119 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374933781 920733368 /nfs/dbraw/zinc/73/33/68/920733368.db2.gz PVSSUJJNMOEHQH-AEJSXWLSSA-N 1 1 312.349 -1.037 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375005809 920734733 /nfs/dbraw/zinc/73/47/33/920734733.db2.gz ZNFCUINIAPDNBC-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375005809 920734747 /nfs/dbraw/zinc/73/47/47/920734747.db2.gz ZNFCUINIAPDNBC-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)Cn1cnnn1 ZINC001375005614 920736798 /nfs/dbraw/zinc/73/67/98/920736798.db2.gz ZPZAWNFZHHWOCT-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCOCC1 ZINC001374995863 920736903 /nfs/dbraw/zinc/73/69/03/920736903.db2.gz WGFLRQKZBMVUKE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC001374995863 920736912 /nfs/dbraw/zinc/73/69/12/920736912.db2.gz WGFLRQKZBMVUKE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001375036704 920737601 /nfs/dbraw/zinc/73/76/01/920737601.db2.gz JSKJRGPPBKCMEN-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001375036704 920737613 /nfs/dbraw/zinc/73/76/13/920737613.db2.gz JSKJRGPPBKCMEN-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038163 920737730 /nfs/dbraw/zinc/73/77/30/920737730.db2.gz UKKNJDCLZSCICY-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038163 920737736 /nfs/dbraw/zinc/73/77/36/920737736.db2.gz UKKNJDCLZSCICY-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001375021312 920738512 /nfs/dbraw/zinc/73/85/12/920738512.db2.gz QJXAACNWKZHQFG-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001375021312 920738517 /nfs/dbraw/zinc/73/85/17/920738517.db2.gz QJXAACNWKZHQFG-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001375031739 920739792 /nfs/dbraw/zinc/73/97/92/920739792.db2.gz PFZNSNOYOGFWKO-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001375031739 920739808 /nfs/dbraw/zinc/73/98/08/920739808.db2.gz PFZNSNOYOGFWKO-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001375033276 920740243 /nfs/dbraw/zinc/74/02/43/920740243.db2.gz WEBURNFCTOVODA-UWVGGRQHSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001375033276 920740255 /nfs/dbraw/zinc/74/02/55/920740255.db2.gz WEBURNFCTOVODA-UWVGGRQHSA-N 1 1 321.399 -1.034 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001375043706 920741616 /nfs/dbraw/zinc/74/16/16/920741616.db2.gz GXSLOFNIUJVLMQ-NXEZZACHSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001375043706 920741626 /nfs/dbraw/zinc/74/16/26/920741626.db2.gz GXSLOFNIUJVLMQ-NXEZZACHSA-N 1 1 301.391 -1.171 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038968 920742055 /nfs/dbraw/zinc/74/20/55/920742055.db2.gz YQRXUXRRNBDNJB-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038968 920742066 /nfs/dbraw/zinc/74/20/66/920742066.db2.gz YQRXUXRRNBDNJB-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)CN1CCCS1(=O)=O ZINC001375042347 920742679 /nfs/dbraw/zinc/74/26/79/920742679.db2.gz CTRRFCFGTYRQAV-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001375067479 920743541 /nfs/dbraw/zinc/74/35/41/920743541.db2.gz CMZPCMUJRQNTHA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001375067479 920743550 /nfs/dbraw/zinc/74/35/50/920743550.db2.gz CMZPCMUJRQNTHA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001375091316 920745813 /nfs/dbraw/zinc/74/58/13/920745813.db2.gz XLSHOPXZWMBCQN-GHMZBOCLSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375110800 920746880 /nfs/dbraw/zinc/74/68/80/920746880.db2.gz MCCAWSOXJKQIKH-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375110800 920746895 /nfs/dbraw/zinc/74/68/95/920746895.db2.gz MCCAWSOXJKQIKH-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375101801 920747853 /nfs/dbraw/zinc/74/78/53/920747853.db2.gz PXQFULONANWDMA-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375101801 920747867 /nfs/dbraw/zinc/74/78/67/920747867.db2.gz PXQFULONANWDMA-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001375157771 920748850 /nfs/dbraw/zinc/74/88/50/920748850.db2.gz IASOAOOAEGUZEG-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132071 920749341 /nfs/dbraw/zinc/74/93/41/920749341.db2.gz JMBLLITULFHFMY-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132071 920749356 /nfs/dbraw/zinc/74/93/56/920749356.db2.gz JMBLLITULFHFMY-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132065 920749864 /nfs/dbraw/zinc/74/98/64/920749864.db2.gz JMBLLITULFHFMY-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132065 920749874 /nfs/dbraw/zinc/74/98/74/920749874.db2.gz JMBLLITULFHFMY-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)C[N@H+](C)CCF ZINC001375137189 920750013 /nfs/dbraw/zinc/75/00/13/920750013.db2.gz VPFOCNQVYFGPRC-VHSXEESVSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)C[N@@H+](C)CCF ZINC001375137189 920750021 /nfs/dbraw/zinc/75/00/21/920750021.db2.gz VPFOCNQVYFGPRC-VHSXEESVSA-N 1 1 315.353 -1.416 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375151919 920750729 /nfs/dbraw/zinc/75/07/29/920750729.db2.gz BAVWQVZQFGXANO-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375151919 920750750 /nfs/dbraw/zinc/75/07/50/920750750.db2.gz BAVWQVZQFGXANO-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)c(=O)n1 ZINC001375138162 920750837 /nfs/dbraw/zinc/75/08/37/920750837.db2.gz XSQBCKZVLZCFRR-JTQLQIEISA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)c(=O)n1 ZINC001375138162 920750850 /nfs/dbraw/zinc/75/08/50/920750850.db2.gz XSQBCKZVLZCFRR-JTQLQIEISA-N 1 1 309.370 -1.218 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001375225077 920757038 /nfs/dbraw/zinc/75/70/38/920757038.db2.gz YUXSBMTTYRTCRW-NEPJUHHUSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001375225079 920757357 /nfs/dbraw/zinc/75/73/57/920757357.db2.gz YUXSBMTTYRTCRW-NWDGAFQWSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)CCNC(N)=O)C2CC2)nn1 ZINC001375264523 920759472 /nfs/dbraw/zinc/75/94/72/920759472.db2.gz LCOUBFTWLLOONV-NSHDSACASA-N 1 1 309.374 -1.142 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 ZINC001375258927 920760000 /nfs/dbraw/zinc/76/00/00/920760000.db2.gz RPSJNSNBBRKIHP-GRYCIOLGSA-N 1 1 306.370 -1.079 20 0 DAADMO O=C(CCn1ccnn1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001375309208 920761649 /nfs/dbraw/zinc/76/16/49/920761649.db2.gz XUONBMZITPBYAJ-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CCn1ccnn1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001375309208 920761664 /nfs/dbraw/zinc/76/16/64/920761664.db2.gz XUONBMZITPBYAJ-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001375306751 920761867 /nfs/dbraw/zinc/76/18/67/920761867.db2.gz CMNUBZLBCZOHBK-CYBMUJFWSA-N 1 1 308.386 -1.199 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001375306751 920761875 /nfs/dbraw/zinc/76/18/75/920761875.db2.gz CMNUBZLBCZOHBK-CYBMUJFWSA-N 1 1 308.386 -1.199 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001375314350 920766321 /nfs/dbraw/zinc/76/63/21/920766321.db2.gz MHXNIFNIPBIRBW-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001375371952 920768626 /nfs/dbraw/zinc/76/86/26/920768626.db2.gz AJOVKDILRJABJS-QWRGUYRKSA-N 1 1 310.354 -1.075 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CCn3ccnn3)CC2)nc1=O ZINC001375414516 920773381 /nfs/dbraw/zinc/77/33/81/920773381.db2.gz DOSVRSRSBSTRST-UHFFFAOYSA-N 1 1 320.357 -1.471 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001375403565 920774632 /nfs/dbraw/zinc/77/46/32/920774632.db2.gz BPZHGVTYPHRDOJ-SNVBAGLBSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001375403565 920774643 /nfs/dbraw/zinc/77/46/43/920774643.db2.gz BPZHGVTYPHRDOJ-SNVBAGLBSA-N 1 1 309.374 -1.721 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCS(N)(=O)=O ZINC001375459976 920777815 /nfs/dbraw/zinc/77/78/15/920777815.db2.gz SGVMCFGSNHHMGG-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NCC2(NCC(N)=O)CC2)cn1 ZINC001375507216 920779234 /nfs/dbraw/zinc/77/92/34/920779234.db2.gz UPLJVBGUOOMEQJ-UHFFFAOYSA-N 1 1 308.386 -1.218 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)NC(N)=O)CC2)C1 ZINC001375522793 920782484 /nfs/dbraw/zinc/78/24/84/920782484.db2.gz SNBRFHFBVVGWJA-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)NC(N)=O)CC2)C1 ZINC001375522793 920782493 /nfs/dbraw/zinc/78/24/93/920782493.db2.gz SNBRFHFBVVGWJA-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O ZINC001375584950 920784974 /nfs/dbraw/zinc/78/49/74/920784974.db2.gz JWHCAOIDVBWFBM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O ZINC001375584950 920784986 /nfs/dbraw/zinc/78/49/86/920784986.db2.gz JWHCAOIDVBWFBM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001375620326 920788081 /nfs/dbraw/zinc/78/80/81/920788081.db2.gz MBNOAOATUKQPOA-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CCOC2)n1 ZINC001375601856 920789312 /nfs/dbraw/zinc/78/93/12/920789312.db2.gz HJZDZWWLBOLWLA-VIFPVBQESA-N 1 1 323.353 -1.200 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001375622077 920789914 /nfs/dbraw/zinc/78/99/14/920789914.db2.gz CZTCLHPZERSZJN-GFCCVEGCSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001375622077 920789930 /nfs/dbraw/zinc/78/99/30/920789930.db2.gz CZTCLHPZERSZJN-GFCCVEGCSA-N 1 1 307.354 -1.139 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnn[n-]2)C1 ZINC001375627229 920789991 /nfs/dbraw/zinc/78/99/91/920789991.db2.gz ZNKAEWOZMDNCKL-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001375627229 920790013 /nfs/dbraw/zinc/79/00/13/920790013.db2.gz ZNKAEWOZMDNCKL-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001375627229 920790026 /nfs/dbraw/zinc/79/00/26/920790026.db2.gz ZNKAEWOZMDNCKL-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001375635369 920791771 /nfs/dbraw/zinc/79/17/71/920791771.db2.gz RUMLRJKOVCVRAI-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001375653356 920792145 /nfs/dbraw/zinc/79/21/45/920792145.db2.gz PIJOXVBUPIOEAO-AXFHLTTASA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375652913 920793696 /nfs/dbraw/zinc/79/36/96/920793696.db2.gz YAYDDGSRJAEZFA-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001375652913 920793705 /nfs/dbraw/zinc/79/37/05/920793705.db2.gz YAYDDGSRJAEZFA-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001375659645 920793930 /nfs/dbraw/zinc/79/39/30/920793930.db2.gz LTNGXIGZKQIYSE-SFYZADRCSA-N 1 1 307.376 -2.896 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001375659645 920793945 /nfs/dbraw/zinc/79/39/45/920793945.db2.gz LTNGXIGZKQIYSE-SFYZADRCSA-N 1 1 307.376 -2.896 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)[C@@H]1C ZINC001375656258 920794067 /nfs/dbraw/zinc/79/40/67/920794067.db2.gz AHVRLQBSTCYJJN-UMNHJUIQSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001375661046 920794394 /nfs/dbraw/zinc/79/43/94/920794394.db2.gz VIQGMQINOOZWHM-RISCZKNCSA-N 1 1 323.397 -1.089 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375649636 920794676 /nfs/dbraw/zinc/79/46/76/920794676.db2.gz XJYLATYWQTXTDO-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CC[N@H+]1CC(=O)NC(N)=O ZINC001375649636 920794681 /nfs/dbraw/zinc/79/46/81/920794681.db2.gz XJYLATYWQTXTDO-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001375666575 920795969 /nfs/dbraw/zinc/79/59/69/920795969.db2.gz TVKZNNXEOQZGJB-NWDGAFQWSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001375666575 920795987 /nfs/dbraw/zinc/79/59/87/920795987.db2.gz TVKZNNXEOQZGJB-NWDGAFQWSA-N 1 1 324.385 -1.523 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)CNC(C)=O)CC1 ZINC001375688469 920796597 /nfs/dbraw/zinc/79/65/97/920796597.db2.gz ZTUHWTHGCCSWDF-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001375668217 920797158 /nfs/dbraw/zinc/79/71/58/920797158.db2.gz GFUATYAYAQQFOC-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001375668217 920797170 /nfs/dbraw/zinc/79/71/70/920797170.db2.gz GFUATYAYAQQFOC-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001375718916 920798820 /nfs/dbraw/zinc/79/88/20/920798820.db2.gz RFVRFFYRACXATM-JTQLQIEISA-N 1 1 324.385 -1.011 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001375710719 920799791 /nfs/dbraw/zinc/79/97/91/920799791.db2.gz KBRKBTZYQORTDC-KOLCDFICSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001375710722 920800367 /nfs/dbraw/zinc/80/03/67/920800367.db2.gz KBRKBTZYQORTDC-ONGXEEELSA-N 1 1 312.370 -1.112 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001375721761 920802359 /nfs/dbraw/zinc/80/23/59/920802359.db2.gz HOGDQYORMJVALY-JTQLQIEISA-N 1 1 305.400 -1.285 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001375743690 920802592 /nfs/dbraw/zinc/80/25/92/920802592.db2.gz MBQYMUGXCCUGHF-GXSJLCMTSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001375746914 920804278 /nfs/dbraw/zinc/80/42/78/920804278.db2.gz VSGFOBKBJRXJQZ-GXSJLCMTSA-N 1 1 309.374 -1.012 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001375763586 920804764 /nfs/dbraw/zinc/80/47/64/920804764.db2.gz WHUXXVBBCCPCDY-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001375834948 920807257 /nfs/dbraw/zinc/80/72/57/920807257.db2.gz ZIGSBFVVDATMJS-QMTHXVAHSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001375834948 920807266 /nfs/dbraw/zinc/80/72/66/920807266.db2.gz ZIGSBFVVDATMJS-QMTHXVAHSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001375814674 920807841 /nfs/dbraw/zinc/80/78/41/920807841.db2.gz ZABLXROGONWYEK-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001375814674 920807852 /nfs/dbraw/zinc/80/78/52/920807852.db2.gz ZABLXROGONWYEK-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@]1(NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@H+](CC(N)=O)C1 ZINC001375831792 920808312 /nfs/dbraw/zinc/80/83/12/920808312.db2.gz RWRFSIYPXVEHTE-HNNXBMFYSA-N 1 1 319.365 -1.211 20 0 DAADMO C[C@]1(NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@@H+](CC(N)=O)C1 ZINC001375831792 920808324 /nfs/dbraw/zinc/80/83/24/920808324.db2.gz RWRFSIYPXVEHTE-HNNXBMFYSA-N 1 1 319.365 -1.211 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827962 920808630 /nfs/dbraw/zinc/80/86/30/920808630.db2.gz GTLQJJDXLWRKQB-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827962 920808644 /nfs/dbraw/zinc/80/86/44/920808644.db2.gz GTLQJJDXLWRKQB-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO CCOCC(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001375808885 920808947 /nfs/dbraw/zinc/80/89/47/920808947.db2.gz SZDNDPGAARHPMF-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CCO)C1 ZINC001375828531 920810583 /nfs/dbraw/zinc/81/05/83/920810583.db2.gz JKFKWCQGGFXWDL-LBPRGKRZSA-N 1 1 305.400 -1.405 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001375812861 920811051 /nfs/dbraw/zinc/81/10/51/920811051.db2.gz PNLYTNKZSJLUDF-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001375812861 920811062 /nfs/dbraw/zinc/81/10/62/920811062.db2.gz PNLYTNKZSJLUDF-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO Cn1cncc1CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001375851502 920812916 /nfs/dbraw/zinc/81/29/16/920812916.db2.gz SZMBFICFLCSBMH-AWEZNQCLSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cncc1CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001375851502 920812932 /nfs/dbraw/zinc/81/29/32/920812932.db2.gz SZMBFICFLCSBMH-AWEZNQCLSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001375882010 920813776 /nfs/dbraw/zinc/81/37/76/920813776.db2.gz JOPFTYFHAWKPSL-NOZJJQNGSA-N 1 1 322.373 -1.780 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375849564 920813852 /nfs/dbraw/zinc/81/38/52/920813852.db2.gz XICSQLMNHKUPTJ-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2snnc2C)C1 ZINC001375992456 920815061 /nfs/dbraw/zinc/81/50/61/920815061.db2.gz BFMDPZRXQGZDLK-LBPRGKRZSA-N 1 1 313.383 -1.241 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2snnc2C)C1 ZINC001375992456 920815075 /nfs/dbraw/zinc/81/50/75/920815075.db2.gz BFMDPZRXQGZDLK-LBPRGKRZSA-N 1 1 313.383 -1.241 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccccn2)C1 ZINC001375993277 920815249 /nfs/dbraw/zinc/81/52/49/920815249.db2.gz QXUYDLXLYUDDKV-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccccn2)C1 ZINC001375993277 920815262 /nfs/dbraw/zinc/81/52/62/920815262.db2.gz QXUYDLXLYUDDKV-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375994939 920815679 /nfs/dbraw/zinc/81/56/79/920815679.db2.gz HLHSFIXVXWJDPW-CMPLNLGQSA-N 1 1 314.346 -2.767 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001375993799 920816001 /nfs/dbraw/zinc/81/60/01/920816001.db2.gz FIZFJHJOKMHJQP-IINYFYTJSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001375993799 920816011 /nfs/dbraw/zinc/81/60/11/920816011.db2.gz FIZFJHJOKMHJQP-IINYFYTJSA-N 1 1 324.385 -1.607 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375990802 920817161 /nfs/dbraw/zinc/81/71/61/920817161.db2.gz DXYOKKVBTDMIGI-MFKMUULPSA-N 1 1 300.359 -2.061 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cnn1C ZINC001375994413 920817478 /nfs/dbraw/zinc/81/74/78/920817478.db2.gz MWPSMUZEQJLHHO-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cnn1C ZINC001375994413 920817494 /nfs/dbraw/zinc/81/74/94/920817494.db2.gz MWPSMUZEQJLHHO-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001375994847 920817594 /nfs/dbraw/zinc/81/75/94/920817594.db2.gz NDXJQTIGECLLLU-RISCZKNCSA-N 1 1 324.385 -1.515 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376000016 920818830 /nfs/dbraw/zinc/81/88/30/920818830.db2.gz XXWCBHRXMHAPFS-GWCFXTLKSA-N 1 1 323.357 -2.543 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001375999945 920818963 /nfs/dbraw/zinc/81/89/63/920818963.db2.gz XKAODKHBYBEHHH-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001375999945 920818973 /nfs/dbraw/zinc/81/89/73/920818973.db2.gz XKAODKHBYBEHHH-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001376005039 920821356 /nfs/dbraw/zinc/82/13/56/920821356.db2.gz JQWRLVCPKMWUMQ-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001376005039 920821363 /nfs/dbraw/zinc/82/13/63/920821363.db2.gz JQWRLVCPKMWUMQ-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001375999134 920821937 /nfs/dbraw/zinc/82/19/37/920821937.db2.gz RQTNLJUACLGCGA-OLZOCXBDSA-N 1 1 319.427 -1.159 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n(C)n1 ZINC001376020607 920823372 /nfs/dbraw/zinc/82/33/72/920823372.db2.gz YKYGPVAZXCVXGL-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n(C)n1 ZINC001376020607 920823382 /nfs/dbraw/zinc/82/33/82/920823382.db2.gz YKYGPVAZXCVXGL-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001376007875 920823559 /nfs/dbraw/zinc/82/35/59/920823559.db2.gz MPQPOAYPIRAKIK-DOMZBBRYSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001376007875 920823568 /nfs/dbraw/zinc/82/35/68/920823568.db2.gz MPQPOAYPIRAKIK-DOMZBBRYSA-N 1 1 321.381 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376019144 920823593 /nfs/dbraw/zinc/82/35/93/920823593.db2.gz XKDKHDRPIGRNSF-TZMCWYRMSA-N 1 1 317.386 -1.975 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376012301 920824228 /nfs/dbraw/zinc/82/42/28/920824228.db2.gz PZMFWMIUMSCQJL-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376012301 920824246 /nfs/dbraw/zinc/82/42/46/920824246.db2.gz PZMFWMIUMSCQJL-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376017724 920825231 /nfs/dbraw/zinc/82/52/31/920825231.db2.gz VBTVQIKMZSEVCB-WCQYABFASA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cn[nH]c1 ZINC001376009904 920825563 /nfs/dbraw/zinc/82/55/63/920825563.db2.gz NFYFSTAYOBWCEJ-BXUZGUMPSA-N 1 1 307.354 -1.145 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001376007880 920825624 /nfs/dbraw/zinc/82/56/24/920825624.db2.gz MPQPOAYPIRAKIK-IUODEOHRSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001376007880 920825641 /nfs/dbraw/zinc/82/56/41/920825641.db2.gz MPQPOAYPIRAKIK-IUODEOHRSA-N 1 1 321.381 -1.367 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376017730 920825730 /nfs/dbraw/zinc/82/57/30/920825730.db2.gz VBTVQIKMZSEVCB-YPMHNXCESA-N 1 1 322.427 -1.255 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376010456 920826149 /nfs/dbraw/zinc/82/61/49/920826149.db2.gz NXEAMDCEBQUBKX-TVQRCGJNSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376010456 920826162 /nfs/dbraw/zinc/82/61/62/920826162.db2.gz NXEAMDCEBQUBKX-TVQRCGJNSA-N 1 1 300.359 -2.109 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001376014905 920826739 /nfs/dbraw/zinc/82/67/39/920826739.db2.gz SBLQQTDRVJCQEZ-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001376014905 920826753 /nfs/dbraw/zinc/82/67/53/920826753.db2.gz SBLQQTDRVJCQEZ-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001376037641 920827562 /nfs/dbraw/zinc/82/75/62/920827562.db2.gz OHCQAQBUZOBVSS-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001376037641 920827574 /nfs/dbraw/zinc/82/75/74/920827574.db2.gz OHCQAQBUZOBVSS-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001376040036 920827596 /nfs/dbraw/zinc/82/75/96/920827596.db2.gz UTCSRRAYICRYKF-JOYOIKCWSA-N 1 1 311.346 -2.510 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376036040 920828576 /nfs/dbraw/zinc/82/85/76/920828576.db2.gz MQESEPMAJJGAQE-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376036040 920828590 /nfs/dbraw/zinc/82/85/90/920828590.db2.gz MQESEPMAJJGAQE-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001376030995 920828869 /nfs/dbraw/zinc/82/88/69/920828869.db2.gz DXLOEKGXJRIEGK-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001376033082 920829597 /nfs/dbraw/zinc/82/95/97/920829597.db2.gz HFFDOYUOVKLDCN-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)n1 ZINC001376035182 920829632 /nfs/dbraw/zinc/82/96/32/920829632.db2.gz LFRHSPXXHDFODK-AWEZNQCLSA-N 1 1 322.369 -1.660 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376032664 920830020 /nfs/dbraw/zinc/83/00/20/920830020.db2.gz HSLWTNISJHPCBB-GXFFZTMASA-N 1 1 313.358 -2.011 20 0 DAADMO Cc1c(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cnn1C ZINC001376039017 920830533 /nfs/dbraw/zinc/83/05/33/920830533.db2.gz BPRVGRZAFXDFKM-IAQYHMDHSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1c(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cnn1C ZINC001376039017 920830543 /nfs/dbraw/zinc/83/05/43/920830543.db2.gz BPRVGRZAFXDFKM-IAQYHMDHSA-N 1 1 323.397 -1.302 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC001376045428 920832072 /nfs/dbraw/zinc/83/20/72/920832072.db2.gz DDHUIIPQCDQFSE-CJNGLKHVSA-N 1 1 324.425 -1.088 20 0 DAADMO COc1coc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cc1=O ZINC001376046089 920832778 /nfs/dbraw/zinc/83/27/78/920832778.db2.gz FTVJPKKGUOCSQJ-CQSZACIVSA-N 1 1 312.322 -1.193 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)on1 ZINC001376044142 920833110 /nfs/dbraw/zinc/83/31/10/920833110.db2.gz AATRPAXFCPRCMU-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)on1 ZINC001376044142 920833125 /nfs/dbraw/zinc/83/31/25/920833125.db2.gz AATRPAXFCPRCMU-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376044636 920833173 /nfs/dbraw/zinc/83/31/73/920833173.db2.gz PVFLGKMDGQSNIS-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376044636 920833184 /nfs/dbraw/zinc/83/31/84/920833184.db2.gz PVFLGKMDGQSNIS-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ncc[nH]1 ZINC001376041076 920833628 /nfs/dbraw/zinc/83/36/28/920833628.db2.gz XECLKUANRYSYLE-IINYFYTJSA-N 1 1 307.354 -1.145 20 0 DAADMO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001376046345 920834692 /nfs/dbraw/zinc/83/46/92/920834692.db2.gz DNTQHUDLWFSKRQ-UKRRQHHQSA-N 1 1 322.413 -1.038 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376042060 920834791 /nfs/dbraw/zinc/83/47/91/920834791.db2.gz ZATLBQQKFDKXJX-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO C[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042120 920834965 /nfs/dbraw/zinc/83/49/65/920834965.db2.gz KNENIFVFRIWMJH-XHDPSFHLSA-N 1 1 312.414 -1.103 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376044796 920835678 /nfs/dbraw/zinc/83/56/78/920835678.db2.gz DQZRRUURWQGSJT-YGRLFVJLSA-N 1 1 312.370 -1.024 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040978 920835704 /nfs/dbraw/zinc/83/57/04/920835704.db2.gz WADKLMULAZKRLU-GFCCVEGCSA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040978 920835717 /nfs/dbraw/zinc/83/57/17/920835717.db2.gz WADKLMULAZKRLU-GFCCVEGCSA-N 1 1 301.347 -2.656 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040163 920835747 /nfs/dbraw/zinc/83/57/47/920835747.db2.gz SPYFPKARVIMUER-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040163 920835766 /nfs/dbraw/zinc/83/57/66/920835766.db2.gz SPYFPKARVIMUER-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376057735 920838096 /nfs/dbraw/zinc/83/80/96/920838096.db2.gz XLTVLGXWGCFZPW-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376057735 920838110 /nfs/dbraw/zinc/83/81/10/920838110.db2.gz XLTVLGXWGCFZPW-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(CCF)c2)C1 ZINC001376062920 920838215 /nfs/dbraw/zinc/83/82/15/920838215.db2.gz YQGHSGDWOUAZCT-ZDUSSCGKSA-N 1 1 313.333 -1.496 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(CCF)c2)C1 ZINC001376062920 920838233 /nfs/dbraw/zinc/83/82/33/920838233.db2.gz YQGHSGDWOUAZCT-ZDUSSCGKSA-N 1 1 313.333 -1.496 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001376050478 920839083 /nfs/dbraw/zinc/83/90/83/920839083.db2.gz ZFIPKAYFKKWNRT-CYBMUJFWSA-N 1 1 311.342 -1.664 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001376050478 920839095 /nfs/dbraw/zinc/83/90/95/920839095.db2.gz ZFIPKAYFKKWNRT-CYBMUJFWSA-N 1 1 311.342 -1.664 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001376049842 920839123 /nfs/dbraw/zinc/83/91/23/920839123.db2.gz MJBFYUYNXSAJHU-OAHLLOKOSA-N 1 1 323.397 -1.050 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001376049842 920839134 /nfs/dbraw/zinc/83/91/34/920839134.db2.gz MJBFYUYNXSAJHU-OAHLLOKOSA-N 1 1 323.397 -1.050 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001376050251 920840287 /nfs/dbraw/zinc/84/02/87/920840287.db2.gz NPSXPSIWTRKCLQ-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001376049893 920840460 /nfs/dbraw/zinc/84/04/60/920840460.db2.gz MKVCWVLAVFBKLG-SNVBAGLBSA-N 1 1 312.367 -2.437 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001376049893 920840468 /nfs/dbraw/zinc/84/04/68/920840468.db2.gz MKVCWVLAVFBKLG-SNVBAGLBSA-N 1 1 312.367 -2.437 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(CC(=O)NC(N)=O)C2)C1 ZINC001376071207 920843408 /nfs/dbraw/zinc/84/34/08/920843408.db2.gz KRDNFXCXHZRXHM-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001376088343 920846616 /nfs/dbraw/zinc/84/66/16/920846616.db2.gz BTHFIRCBRLUDHM-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN([C@H]2CCNC2=O)C1 ZINC001376085026 920847134 /nfs/dbraw/zinc/84/71/34/920847134.db2.gz BKWQGBUJHUPQAE-WFASDCNBSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001376087856 920847560 /nfs/dbraw/zinc/84/75/60/920847560.db2.gz GRJXUAKMGFXHIU-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001376087859 920848816 /nfs/dbraw/zinc/84/88/16/920848816.db2.gz GRJXUAKMGFXHIU-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001376088676 920849264 /nfs/dbraw/zinc/84/92/64/920849264.db2.gz JPIWRBVTSXKCGE-CQSZACIVSA-N 1 1 308.338 -2.113 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001376088676 920849281 /nfs/dbraw/zinc/84/92/81/920849281.db2.gz JPIWRBVTSXKCGE-CQSZACIVSA-N 1 1 308.338 -2.113 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376077923 920849637 /nfs/dbraw/zinc/84/96/37/920849637.db2.gz FZLVKFDKWSTLNF-SMDDNHRTSA-N 1 1 309.370 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376077923 920849648 /nfs/dbraw/zinc/84/96/48/920849648.db2.gz FZLVKFDKWSTLNF-SMDDNHRTSA-N 1 1 309.370 -1.382 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001376088673 920849673 /nfs/dbraw/zinc/84/96/73/920849673.db2.gz JPIWRBVTSXKCGE-AWEZNQCLSA-N 1 1 308.338 -2.113 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001376088673 920849683 /nfs/dbraw/zinc/84/96/83/920849683.db2.gz JPIWRBVTSXKCGE-AWEZNQCLSA-N 1 1 308.338 -2.113 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001376086833 920849763 /nfs/dbraw/zinc/84/97/63/920849763.db2.gz GTAPKGNNRWKHTM-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001376091363 920851786 /nfs/dbraw/zinc/85/17/86/920851786.db2.gz LUSHWVYYHQNYET-BXUZGUMPSA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376092371 920851887 /nfs/dbraw/zinc/85/18/87/920851887.db2.gz PAXRANFUTBZINW-XHDPSFHLSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376092371 920851900 /nfs/dbraw/zinc/85/19/00/920851900.db2.gz PAXRANFUTBZINW-XHDPSFHLSA-N 1 1 323.397 -1.363 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001376088779 920852092 /nfs/dbraw/zinc/85/20/92/920852092.db2.gz KNLKTLOXLRFHCN-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001376088779 920852104 /nfs/dbraw/zinc/85/21/04/920852104.db2.gz KNLKTLOXLRFHCN-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376092665 920852897 /nfs/dbraw/zinc/85/28/97/920852897.db2.gz NWFWIQDYAPSYGH-HZMBPMFUSA-N 1 1 312.370 -2.094 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376092665 920852920 /nfs/dbraw/zinc/85/29/20/920852920.db2.gz NWFWIQDYAPSYGH-HZMBPMFUSA-N 1 1 312.370 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001376096936 920853692 /nfs/dbraw/zinc/85/36/92/920853692.db2.gz MNOFWOODQODLDG-FZMZJTMJSA-N 1 1 310.354 -1.350 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376090557 920854206 /nfs/dbraw/zinc/85/42/06/920854206.db2.gz FSKGWPBVJBMZNW-LBPRGKRZSA-N 1 1 323.415 -2.187 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100247 920854680 /nfs/dbraw/zinc/85/46/80/920854680.db2.gz UMDRBJBGTVYMSV-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100275 920856392 /nfs/dbraw/zinc/85/63/92/920856392.db2.gz UPLKRMTZGKZLAL-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100275 920856407 /nfs/dbraw/zinc/85/64/07/920856407.db2.gz UPLKRMTZGKZLAL-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100278 920858114 /nfs/dbraw/zinc/85/81/14/920858114.db2.gz UPLKRMTZGKZLAL-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100278 920858133 /nfs/dbraw/zinc/85/81/33/920858133.db2.gz UPLKRMTZGKZLAL-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376103366 920858498 /nfs/dbraw/zinc/85/84/98/920858498.db2.gz ZPXWDDQVJFKSDG-FZMZJTMJSA-N 1 1 312.370 -1.406 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102237 920858773 /nfs/dbraw/zinc/85/87/73/920858773.db2.gz YLEHJBPYIDQEAR-JSGCOSHPSA-N 1 1 301.387 -1.748 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001376105968 920859501 /nfs/dbraw/zinc/85/95/01/920859501.db2.gz VAOCTHTZVABZQZ-UHFFFAOYSA-N 1 1 322.413 -1.329 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001376116551 920861015 /nfs/dbraw/zinc/86/10/15/920861015.db2.gz FNMDUKWTIYAZRZ-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001376116551 920861027 /nfs/dbraw/zinc/86/10/27/920861027.db2.gz FNMDUKWTIYAZRZ-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376117092 920861759 /nfs/dbraw/zinc/86/17/59/920861759.db2.gz GTVZPMPFCBPWGB-IINYFYTJSA-N 1 1 314.386 -1.541 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376117077 920862413 /nfs/dbraw/zinc/86/24/13/920862413.db2.gz GTVZPMPFCBPWGB-HZMBPMFUSA-N 1 1 314.386 -1.541 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001376113926 920862566 /nfs/dbraw/zinc/86/25/66/920862566.db2.gz BGIIIMNSYLOXHX-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001376113926 920862580 /nfs/dbraw/zinc/86/25/80/920862580.db2.gz BGIIIMNSYLOXHX-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001376121779 920863171 /nfs/dbraw/zinc/86/31/71/920863171.db2.gz PSOIOZPLRWRVJD-AWEZNQCLSA-N 1 1 309.370 -1.298 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001376121779 920863184 /nfs/dbraw/zinc/86/31/84/920863184.db2.gz PSOIOZPLRWRVJD-AWEZNQCLSA-N 1 1 309.370 -1.298 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001376121815 920864148 /nfs/dbraw/zinc/86/41/48/920864148.db2.gz PSOIOZPLRWRVJD-CQSZACIVSA-N 1 1 309.370 -1.298 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001376121815 920864160 /nfs/dbraw/zinc/86/41/60/920864160.db2.gz PSOIOZPLRWRVJD-CQSZACIVSA-N 1 1 309.370 -1.298 20 0 DAADMO CCOc1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001376125593 920866283 /nfs/dbraw/zinc/86/62/83/920866283.db2.gz XCHXMBZYEHZMLP-CQSZACIVSA-N 1 1 323.353 -1.473 20 0 DAADMO CCOc1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001376125593 920866294 /nfs/dbraw/zinc/86/62/94/920866294.db2.gz XCHXMBZYEHZMLP-CQSZACIVSA-N 1 1 323.353 -1.473 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376150517 920874300 /nfs/dbraw/zinc/87/43/00/920874300.db2.gz WKXRZUOJOUKCRH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376150517 920874314 /nfs/dbraw/zinc/87/43/14/920874314.db2.gz WKXRZUOJOUKCRH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001376157745 920875006 /nfs/dbraw/zinc/87/50/06/920875006.db2.gz FLZRQUWUJXNKHO-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001376154909 920875466 /nfs/dbraw/zinc/87/54/66/920875466.db2.gz PRYBMCKKHVTDTE-MNOVXSKESA-N 1 1 310.354 -1.075 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001376147058 920875829 /nfs/dbraw/zinc/87/58/29/920875829.db2.gz MUVHALIHHPLYAF-LXOKAJLYSA-N 1 1 310.807 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001376147058 920875836 /nfs/dbraw/zinc/87/58/36/920875836.db2.gz MUVHALIHHPLYAF-LXOKAJLYSA-N 1 1 310.807 -1.017 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376152735 920875874 /nfs/dbraw/zinc/87/58/74/920875874.db2.gz MXLSWBAAELAFLG-GHMZBOCLSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376152735 920875880 /nfs/dbraw/zinc/87/58/80/920875880.db2.gz MXLSWBAAELAFLG-GHMZBOCLSA-N 1 1 322.369 -1.589 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@H]1COC(=O)N1 ZINC001376162561 920878075 /nfs/dbraw/zinc/87/80/75/920878075.db2.gz MMLGXLRXLHURCZ-GHMZBOCLSA-N 1 1 313.354 -1.316 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1COC(=O)N1 ZINC001376162595 920879245 /nfs/dbraw/zinc/87/92/45/920879245.db2.gz MMLGXLRXLHURCZ-MNOVXSKESA-N 1 1 313.354 -1.316 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001376165795 920880050 /nfs/dbraw/zinc/88/00/50/920880050.db2.gz XJKDCHJCTLEMTR-VHSXEESVSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001376165795 920880070 /nfs/dbraw/zinc/88/00/70/920880070.db2.gz XJKDCHJCTLEMTR-VHSXEESVSA-N 1 1 322.369 -1.264 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC2(O)C[NH+](CC3CC3)C2)n1 ZINC001376171634 920884886 /nfs/dbraw/zinc/88/48/86/920884886.db2.gz YGXJQXWDNBXCJF-UHFFFAOYSA-N 1 1 308.342 -2.050 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2nnc(C)[nH]2)C1 ZINC001376204136 920888866 /nfs/dbraw/zinc/88/88/66/920888866.db2.gz PTEAETFWBGPKHL-UHFFFAOYSA-N 1 1 319.369 -1.019 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376223914 920895217 /nfs/dbraw/zinc/89/52/17/920895217.db2.gz QFKJEWVZCSQFAK-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCC[C@@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001376223487 920896026 /nfs/dbraw/zinc/89/60/26/920896026.db2.gz OFIZPHPZTNDCRL-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1C[C@H](C[NH+]2CC(O)(CNC(=O)c3nnn(C)n3)C2)CCO1 ZINC001376224480 920896440 /nfs/dbraw/zinc/89/64/40/920896440.db2.gz KOJXSXODAFPHNK-GHMZBOCLSA-N 1 1 324.385 -1.198 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001376225899 920897001 /nfs/dbraw/zinc/89/70/01/920897001.db2.gz WONJRAXWVASVPZ-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]([NH2+]Cc2ncnn2C)C2CC2)n1 ZINC001376241016 920900811 /nfs/dbraw/zinc/90/08/11/920900811.db2.gz KMOQJCFYHVUODR-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO NC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001376260022 920904743 /nfs/dbraw/zinc/90/47/43/920904743.db2.gz SIWNQGMFYDSEDZ-VXGBXAGGSA-N 1 1 310.398 -1.349 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)N(C)C)C1 ZINC001376271886 920910093 /nfs/dbraw/zinc/91/00/93/920910093.db2.gz QLJSPCPCEDGELL-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001376290812 920910800 /nfs/dbraw/zinc/91/08/00/920910800.db2.gz QXHGEOKUDWEEJD-RYUDHWBXSA-N 1 1 310.398 -1.668 20 0 DAADMO CCCNC(=O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376291559 920911342 /nfs/dbraw/zinc/91/13/42/920911342.db2.gz WEWDIEUQGBFURX-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376279186 920911511 /nfs/dbraw/zinc/91/15/11/920911511.db2.gz UEQMWHSRRXPNKT-OLZOCXBDSA-N 1 1 315.414 -1.502 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001376290806 920912031 /nfs/dbraw/zinc/91/20/31/920912031.db2.gz QTNPMZIVDKUMOB-ZDUSSCGKSA-N 1 1 307.398 -1.002 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001376285359 920912069 /nfs/dbraw/zinc/91/20/69/920912069.db2.gz CIMPCMVPCWONDP-CYBMUJFWSA-N 1 1 312.414 -1.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CCS(C)(=O)=O)C2)C1 ZINC001376289803 920912328 /nfs/dbraw/zinc/91/23/28/920912328.db2.gz KGWVOCLMTDUTOI-LLVKDONJSA-N 1 1 319.427 -1.854 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001376292052 920914900 /nfs/dbraw/zinc/91/49/00/920914900.db2.gz ANLVZKUXJVJVBX-WRWGMCAJSA-N 1 1 313.354 -1.223 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001376300630 920915315 /nfs/dbraw/zinc/91/53/15/920915315.db2.gz ZNRAPWGTEQAINO-UHFFFAOYSA-N 1 1 321.381 -1.367 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)C1 ZINC001376301599 920918154 /nfs/dbraw/zinc/91/81/54/920918154.db2.gz YASLZNHPGPPAJF-VXGBXAGGSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)C1 ZINC001376301599 920918171 /nfs/dbraw/zinc/91/81/71/920918171.db2.gz YASLZNHPGPPAJF-VXGBXAGGSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H](C)C(N)=O)C2)C1 ZINC001376301637 920919809 /nfs/dbraw/zinc/91/98/09/920919809.db2.gz ZAIDLRQWRDQBOK-MNOVXSKESA-N 1 1 314.386 -2.256 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H](C)C(N)=O)C2)C1 ZINC001376301637 920919821 /nfs/dbraw/zinc/91/98/21/920919821.db2.gz ZAIDLRQWRDQBOK-MNOVXSKESA-N 1 1 314.386 -2.256 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333725 920922933 /nfs/dbraw/zinc/92/29/33/920922933.db2.gz RUPLAIOQQSMRCW-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001376364779 920924282 /nfs/dbraw/zinc/92/42/82/920924282.db2.gz JGAYNQYCWRKHOE-JGPRNRPPSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001376365291 920925313 /nfs/dbraw/zinc/92/53/13/920925313.db2.gz SGTMTHLIPAJYCX-UWVGGRQHSA-N 1 1 324.389 -1.547 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)[nH]1 ZINC001376361498 920925450 /nfs/dbraw/zinc/92/54/50/920925450.db2.gz VEUKCAVIFVMFGU-KYZUINATSA-N 1 1 301.372 -1.105 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CNC(C)=O)C1 ZINC001376359307 920926866 /nfs/dbraw/zinc/92/68/66/920926866.db2.gz PXCZNVBWDQHOTP-XYPYZODXSA-N 1 1 309.374 -1.044 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001376387754 920927787 /nfs/dbraw/zinc/92/77/87/920927787.db2.gz COPSJVYEBJGETF-TUAOUCFPSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001376372113 920928235 /nfs/dbraw/zinc/92/82/35/920928235.db2.gz QLQHUAGRCFWYEZ-CIUDSAMLSA-N 1 1 310.362 -1.606 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001376390833 920928449 /nfs/dbraw/zinc/92/84/49/920928449.db2.gz QDRJMGUEFJBULH-MMWGEVLESA-N 1 1 311.386 -1.303 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001376388468 920928542 /nfs/dbraw/zinc/92/85/42/920928542.db2.gz DXBSCMAHCIBKOL-PHIMTYICSA-N 1 1 305.400 -1.692 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C1 ZINC001376399454 920932853 /nfs/dbraw/zinc/93/28/53/920932853.db2.gz DKGLSQHOLUHBOZ-PHIMTYICSA-N 1 1 312.370 -1.131 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 ZINC001376408512 920933211 /nfs/dbraw/zinc/93/32/11/920933211.db2.gz CAYBZRRPXBTORN-MGCOHNPYSA-N 1 1 324.389 -1.122 20 0 DAADMO COCCC(=O)NC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376435230 920935502 /nfs/dbraw/zinc/93/55/02/920935502.db2.gz DEZVLGKOQJQPLJ-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001376437580 920936036 /nfs/dbraw/zinc/93/60/36/920936036.db2.gz HPNXFTZMOJRZFH-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376435231 920936919 /nfs/dbraw/zinc/93/69/19/920936919.db2.gz DEZVLGKOQJQPLJ-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCCC2=O)C1 ZINC001376451946 920938818 /nfs/dbraw/zinc/93/88/18/920938818.db2.gz SWQZQFSLETVANV-IUODEOHRSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376446522 920939757 /nfs/dbraw/zinc/93/97/57/920939757.db2.gz YSRWORWRXUASKA-HNNXBMFYSA-N 1 1 324.381 -1.453 20 0 DAADMO CC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376446522 920939768 /nfs/dbraw/zinc/93/97/68/920939768.db2.gz YSRWORWRXUASKA-HNNXBMFYSA-N 1 1 324.381 -1.453 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001376460429 920941137 /nfs/dbraw/zinc/94/11/37/920941137.db2.gz GRGDTKVRBDDUGY-NHYWBVRUSA-N 1 1 324.381 -1.282 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001376469705 920944042 /nfs/dbraw/zinc/94/40/42/920944042.db2.gz NUAAOWXQCJOOFS-VIFPVBQESA-N 1 1 314.342 -1.411 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1=O ZINC001376469020 920944647 /nfs/dbraw/zinc/94/46/47/920944647.db2.gz VBCKEMFTKISHJG-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1=O ZINC001376469018 920945928 /nfs/dbraw/zinc/94/59/28/920945928.db2.gz VBCKEMFTKISHJG-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1cc2n(n1)CCO2 ZINC001376469661 920946052 /nfs/dbraw/zinc/94/60/52/920946052.db2.gz YSLBURHXEAQEDI-CQSZACIVSA-N 1 1 310.354 -1.176 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001376479069 920947810 /nfs/dbraw/zinc/94/78/10/920947810.db2.gz BUNCQNCSJZZEQA-GHMZBOCLSA-N 1 1 313.354 -1.438 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cnccn1 ZINC001376479933 920947925 /nfs/dbraw/zinc/94/79/25/920947925.db2.gz FXYUYMKQCJZPJT-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]n2)C1 ZINC001376485611 920949795 /nfs/dbraw/zinc/94/97/95/920949795.db2.gz FGEWCBGLTBCBEB-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001376485611 920949814 /nfs/dbraw/zinc/94/98/14/920949814.db2.gz FGEWCBGLTBCBEB-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001376485611 920949818 /nfs/dbraw/zinc/94/98/18/920949818.db2.gz FGEWCBGLTBCBEB-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001376484781 920950003 /nfs/dbraw/zinc/95/00/03/920950003.db2.gz UEPIHGJRHWAVCI-IUODEOHRSA-N 1 1 312.414 -1.243 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2=COCCO2)C1 ZINC001376488448 920950198 /nfs/dbraw/zinc/95/01/98/920950198.db2.gz VZQSUXOFHHUHDI-GHMZBOCLSA-N 1 1 313.354 -1.580 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cnn1C ZINC001376499432 920956550 /nfs/dbraw/zinc/95/65/50/920956550.db2.gz MZWMNGOOLUOPOW-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001376500399 920958523 /nfs/dbraw/zinc/95/85/23/920958523.db2.gz PHUICJFXRFSILD-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001376506838 920961967 /nfs/dbraw/zinc/96/19/67/920961967.db2.gz ZSYAGRZOWHMMTA-ZDUSSCGKSA-N 1 1 302.375 -1.630 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001376510312 920962276 /nfs/dbraw/zinc/96/22/76/920962276.db2.gz CDDYPRMDVHSIDZ-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517448 920963224 /nfs/dbraw/zinc/96/32/24/920963224.db2.gz WYIVMGLSGRKEOE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517448 920963245 /nfs/dbraw/zinc/96/32/45/920963245.db2.gz WYIVMGLSGRKEOE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517444 920963473 /nfs/dbraw/zinc/96/34/73/920963473.db2.gz WYIVMGLSGRKEOE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517444 920963490 /nfs/dbraw/zinc/96/34/90/920963490.db2.gz WYIVMGLSGRKEOE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517452 920964357 /nfs/dbraw/zinc/96/43/57/920964357.db2.gz WYIVMGLSGRKEOE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517452 920964366 /nfs/dbraw/zinc/96/43/66/920964366.db2.gz WYIVMGLSGRKEOE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001376530025 920966254 /nfs/dbraw/zinc/96/62/54/920966254.db2.gz JREGAXKEYWTWTE-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001376530749 920966590 /nfs/dbraw/zinc/96/65/90/920966590.db2.gz JAKHBOBFISJHMK-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001376537202 920968916 /nfs/dbraw/zinc/96/89/16/920968916.db2.gz CHGGZOLHYQVIRF-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001376536607 920969204 /nfs/dbraw/zinc/96/92/04/920969204.db2.gz SCNBMJQCZPMFMZ-JTQLQIEISA-N 1 1 323.415 -2.036 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@]12C[C@H]1COC2)c1nnnn1C ZINC001376544553 920975508 /nfs/dbraw/zinc/97/55/08/920975508.db2.gz ZAPCPZXRASRTHO-MJVIPROJSA-N 1 1 324.385 -1.282 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nccnc1N ZINC001376550069 920978819 /nfs/dbraw/zinc/97/88/19/920978819.db2.gz NZBAKDGYYBGQGY-VHSXEESVSA-N 1 1 322.369 -1.640 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nccnc1N ZINC001376550056 920980085 /nfs/dbraw/zinc/98/00/85/920980085.db2.gz NZBAKDGYYBGQGY-NXEZZACHSA-N 1 1 322.369 -1.640 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001376549849 920980307 /nfs/dbraw/zinc/98/03/07/920980307.db2.gz WGRCDUZIWCOHNE-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1)c1ncccn1 ZINC001376553192 920981683 /nfs/dbraw/zinc/98/16/83/920981683.db2.gz XZLOAMWUYPHELI-MNOVXSKESA-N 1 1 322.369 -1.371 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nnn1C ZINC001376555383 920981745 /nfs/dbraw/zinc/98/17/45/920981745.db2.gz GXJFIGCMDFYRDO-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001376569405 920983223 /nfs/dbraw/zinc/98/32/23/920983223.db2.gz UOZSCDXZDAPPOY-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376606726 920991081 /nfs/dbraw/zinc/99/10/81/920991081.db2.gz KFJNJAAHPCFWTA-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376606726 920991088 /nfs/dbraw/zinc/99/10/88/920991088.db2.gz KFJNJAAHPCFWTA-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001376616852 920992665 /nfs/dbraw/zinc/99/26/65/920992665.db2.gz BRCMBBYCBYEONT-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CNC(=O)NC)C1 ZINC001376621097 920992893 /nfs/dbraw/zinc/99/28/93/920992893.db2.gz HEVKPZZRWDKYNL-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376615743 920994103 /nfs/dbraw/zinc/99/41/03/920994103.db2.gz PARLMHBWOHVYLT-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376615743 920994113 /nfs/dbraw/zinc/99/41/13/920994113.db2.gz PARLMHBWOHVYLT-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629029 920994750 /nfs/dbraw/zinc/99/47/50/920994750.db2.gz OEXYWALTOWOHGX-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629029 920994763 /nfs/dbraw/zinc/99/47/63/920994763.db2.gz OEXYWALTOWOHGX-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001376628561 920995293 /nfs/dbraw/zinc/99/52/93/920995293.db2.gz ZUJAIUMUNUDJJK-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376632137 920996784 /nfs/dbraw/zinc/99/67/84/920996784.db2.gz VVNZVXWYYFPTEK-UWVGGRQHSA-N 1 1 315.374 -2.540 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629035 920996902 /nfs/dbraw/zinc/99/69/02/920996902.db2.gz OEXYWALTOWOHGX-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629035 920996915 /nfs/dbraw/zinc/99/69/15/920996915.db2.gz OEXYWALTOWOHGX-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001376635461 921000125 /nfs/dbraw/zinc/00/01/25/921000125.db2.gz ZZDOAUKUKJOLSO-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001376639122 921000180 /nfs/dbraw/zinc/00/01/80/921000180.db2.gz UURAISPPYGJPRN-MOWSAHLDSA-N 1 1 311.382 -1.434 20 0 DAADMO CN1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001376642337 921001163 /nfs/dbraw/zinc/00/11/63/921001163.db2.gz ZBNLGMFHRBDOQU-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001376639125 921002007 /nfs/dbraw/zinc/00/20/07/921002007.db2.gz UURAISPPYGJPRN-ZXPJVPCYSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001376648227 921006220 /nfs/dbraw/zinc/00/62/20/921006220.db2.gz AWXNWDUVMLINRV-APLZJWDSSA-N 1 1 305.400 -1.649 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cncn1C ZINC001376662149 921007504 /nfs/dbraw/zinc/00/75/04/921007504.db2.gz SEXVEKYYFAUHLM-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001376656203 921008155 /nfs/dbraw/zinc/00/81/55/921008155.db2.gz QSSRFYIZBJETAA-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cncn2C)C1 ZINC001376654484 921008348 /nfs/dbraw/zinc/00/83/48/921008348.db2.gz JAOKSAKORUGVKP-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001376664818 921011554 /nfs/dbraw/zinc/01/15/54/921011554.db2.gz VZCGEUXRFCRTRJ-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001376760356 921026102 /nfs/dbraw/zinc/02/61/02/921026102.db2.gz POESSAPCLXHSRA-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001376754634 921027633 /nfs/dbraw/zinc/02/76/33/921027633.db2.gz IGEJWFTXVOSHBD-SECBINFHSA-N 1 1 308.346 -1.995 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001376754641 921028431 /nfs/dbraw/zinc/02/84/31/921028431.db2.gz IGEJWFTXVOSHBD-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001376796021 921031487 /nfs/dbraw/zinc/03/14/87/921031487.db2.gz BOEVLIIUCJOPJQ-UJNFCWOMSA-N 1 1 310.358 -1.260 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376796630 921031611 /nfs/dbraw/zinc/03/16/11/921031611.db2.gz DDZASRNKGIWSGH-BDAKNGLRSA-N 1 1 323.357 -1.916 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001376807531 921032351 /nfs/dbraw/zinc/03/23/51/921032351.db2.gz CHLNGFCQKQHQSV-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376796662 921033748 /nfs/dbraw/zinc/03/37/48/921033748.db2.gz DDZASRNKGIWSGH-IUCAKERBSA-N 1 1 323.357 -1.916 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001376829332 921035998 /nfs/dbraw/zinc/03/59/98/921035998.db2.gz ULFLPTOEJZFBNV-JGVFFNPUSA-N 1 1 318.403 -1.355 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001376839718 921036260 /nfs/dbraw/zinc/03/62/60/921036260.db2.gz OKXNCAZLDFKGGL-LBPRGKRZSA-N 1 1 311.342 -1.135 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001376839680 921037022 /nfs/dbraw/zinc/03/70/22/921037022.db2.gz OKXNCAZLDFKGGL-GFCCVEGCSA-N 1 1 311.342 -1.135 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)CCO1 ZINC001376840937 921037085 /nfs/dbraw/zinc/03/70/85/921037085.db2.gz CHUGPXOEDOZYIK-SECBINFHSA-N 1 1 318.337 -1.126 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001376836270 921037478 /nfs/dbraw/zinc/03/74/78/921037478.db2.gz JMRGBIWUGBVHSF-GFCCVEGCSA-N 1 1 324.385 -1.390 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001376829339 921038758 /nfs/dbraw/zinc/03/87/58/921038758.db2.gz ULFLPTOEJZFBNV-SFYZADRCSA-N 1 1 318.403 -1.355 20 0 DAADMO NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)CCO1 ZINC001376840940 921039189 /nfs/dbraw/zinc/03/91/89/921039189.db2.gz CHUGPXOEDOZYIK-VIFPVBQESA-N 1 1 318.337 -1.126 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001376847188 921040946 /nfs/dbraw/zinc/04/09/46/921040946.db2.gz BAEGWHKPXBWQAN-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccn2c1n[nH]c2=O)CC(N)=O ZINC001377364083 921810307 /nfs/dbraw/zinc/81/03/07/921810307.db2.gz RDLFBWPIIXPIMA-UHFFFAOYSA-N 1 1 306.326 -1.028 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccn2c1n[nH]c2=O)CC(N)=O ZINC001377364083 921810315 /nfs/dbraw/zinc/81/03/15/921810315.db2.gz RDLFBWPIIXPIMA-UHFFFAOYSA-N 1 1 306.326 -1.028 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001377380475 921810822 /nfs/dbraw/zinc/81/08/22/921810822.db2.gz RETXTQWLYISNQQ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001377380475 921810836 /nfs/dbraw/zinc/81/08/36/921810836.db2.gz RETXTQWLYISNQQ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001377409359 921812074 /nfs/dbraw/zinc/81/20/74/921812074.db2.gz INNQKUBEOZVOJC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001377409359 921812082 /nfs/dbraw/zinc/81/20/82/921812082.db2.gz INNQKUBEOZVOJC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001377409360 921812655 /nfs/dbraw/zinc/81/26/55/921812655.db2.gz INNQKUBEOZVOJC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001377409360 921812670 /nfs/dbraw/zinc/81/26/70/921812670.db2.gz INNQKUBEOZVOJC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377407723 921812692 /nfs/dbraw/zinc/81/26/92/921812692.db2.gz ZTXGDJMPNMOXCB-SVDPJWKOSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377407723 921812703 /nfs/dbraw/zinc/81/27/03/921812703.db2.gz ZTXGDJMPNMOXCB-SVDPJWKOSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398541 921812900 /nfs/dbraw/zinc/81/29/00/921812900.db2.gz FPPDFOHQQIWRDH-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398541 921812912 /nfs/dbraw/zinc/81/29/12/921812912.db2.gz FPPDFOHQQIWRDH-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)COC ZINC001377389918 921813724 /nfs/dbraw/zinc/81/37/24/921813724.db2.gz XMRUOUOUVRFKNF-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001377403342 921813814 /nfs/dbraw/zinc/81/38/14/921813814.db2.gz JBZNJRXDGJSISM-JTQLQIEISA-N 1 1 309.374 -1.138 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001377403342 921813825 /nfs/dbraw/zinc/81/38/25/921813825.db2.gz JBZNJRXDGJSISM-JTQLQIEISA-N 1 1 309.374 -1.138 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)n1 ZINC001377391224 921814080 /nfs/dbraw/zinc/81/40/80/921814080.db2.gz ZBQCMEXJFBHQGF-NSHDSACASA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)n1 ZINC001377391224 921814088 /nfs/dbraw/zinc/81/40/88/921814088.db2.gz ZBQCMEXJFBHQGF-NSHDSACASA-N 1 1 322.369 -1.262 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001377426750 921816839 /nfs/dbraw/zinc/81/68/39/921816839.db2.gz YYYZEJHORFTKKI-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001377426750 921816850 /nfs/dbraw/zinc/81/68/50/921816850.db2.gz YYYZEJHORFTKKI-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001377414884 921816929 /nfs/dbraw/zinc/81/69/29/921816929.db2.gz JIIORYWMPAXCPS-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377441294 921818994 /nfs/dbraw/zinc/81/89/94/921818994.db2.gz DWKPIMSHBZULFK-NWDGAFQWSA-N 1 1 323.397 -2.255 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377440065 921819537 /nfs/dbraw/zinc/81/95/37/921819537.db2.gz AFIUYDXTMZNAAQ-WDEREUQCSA-N 1 1 324.385 -1.846 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377440463 921819871 /nfs/dbraw/zinc/81/98/71/921819871.db2.gz BLSGEUKTLJYMKU-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001377444940 921819953 /nfs/dbraw/zinc/81/99/53/921819953.db2.gz ZTZJNKXFFFPVND-VXGBXAGGSA-N 1 1 324.381 -1.634 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001377436429 921821232 /nfs/dbraw/zinc/82/12/32/921821232.db2.gz NDTFLMRLXKEDLR-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377434030 921821708 /nfs/dbraw/zinc/82/17/08/921821708.db2.gz MXMWIHNUVWBAOV-WDEREUQCSA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001377444931 921822112 /nfs/dbraw/zinc/82/21/12/921822112.db2.gz ZTZJNKXFFFPVND-RYUDHWBXSA-N 1 1 324.381 -1.634 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001377443357 921822459 /nfs/dbraw/zinc/82/24/59/921822459.db2.gz YDAJKDPATVEEFO-UWVGGRQHSA-N 1 1 314.342 -1.965 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001377459666 921823699 /nfs/dbraw/zinc/82/36/99/921823699.db2.gz ILIVTUHYLNQPSQ-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO CCC[N@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(N)=O ZINC001377475840 921823804 /nfs/dbraw/zinc/82/38/04/921823804.db2.gz LLAWRLSTBFSFPG-UHFFFAOYSA-N 1 1 314.342 -1.102 20 0 DAADMO CCC[N@@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(N)=O ZINC001377475840 921823818 /nfs/dbraw/zinc/82/38/18/921823818.db2.gz LLAWRLSTBFSFPG-UHFFFAOYSA-N 1 1 314.342 -1.102 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC001377462717 921824262 /nfs/dbraw/zinc/82/42/62/921824262.db2.gz NNXYNRCMPNVILD-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC001377462717 921824273 /nfs/dbraw/zinc/82/42/73/921824273.db2.gz NNXYNRCMPNVILD-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001377468113 921824697 /nfs/dbraw/zinc/82/46/97/921824697.db2.gz ZKZMYVPNGKJLTG-LLVKDONJSA-N 1 1 307.354 -1.443 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001377464364 921824950 /nfs/dbraw/zinc/82/49/50/921824950.db2.gz SJIXEDRQIXDWKT-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001377461223 921825450 /nfs/dbraw/zinc/82/54/50/921825450.db2.gz NOKLHTGXZNWTQN-JTQLQIEISA-N 1 1 310.358 -2.186 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001377500481 921826347 /nfs/dbraw/zinc/82/63/47/921826347.db2.gz AAOLOGITSVAQFO-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H](C)C(N)=O ZINC001377494194 921826564 /nfs/dbraw/zinc/82/65/64/921826564.db2.gz JDXWQWVUZYUYRP-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001377486174 921828613 /nfs/dbraw/zinc/82/86/13/921828613.db2.gz ILEOYKVBQJJEBE-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001377540930 921830060 /nfs/dbraw/zinc/83/00/60/921830060.db2.gz CVFDFZTZSARVBB-ZJUUUORDSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001377530155 921830170 /nfs/dbraw/zinc/83/01/70/921830170.db2.gz UKBLSNDGRWVMTC-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001377530155 921830180 /nfs/dbraw/zinc/83/01/80/921830180.db2.gz UKBLSNDGRWVMTC-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001377552389 921835409 /nfs/dbraw/zinc/83/54/09/921835409.db2.gz NKSIJLNASWJBLJ-IUCAKERBSA-N 1 1 310.358 -1.131 20 0 DAADMO CC(=O)N(C)CC(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001377548981 921836076 /nfs/dbraw/zinc/83/60/76/921836076.db2.gz JQUXCYUZUIQNDR-SNVBAGLBSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001377540985 921836311 /nfs/dbraw/zinc/83/63/11/921836311.db2.gz DDCMBKKKVCNYPL-VIFPVBQESA-N 1 1 311.346 -2.510 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCCNC2=O)CC1)c1cnon1 ZINC001377575150 921837950 /nfs/dbraw/zinc/83/79/50/921837950.db2.gz RFFSTWZFOJAZDB-NSHDSACASA-N 1 1 323.353 -1.095 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001377569169 921839139 /nfs/dbraw/zinc/83/91/39/921839139.db2.gz QEZLURZPEXJDFI-SNVBAGLBSA-N 1 1 324.385 -1.066 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001377569155 921839949 /nfs/dbraw/zinc/83/99/49/921839949.db2.gz PZBDQUQKYYAYCV-UHFFFAOYSA-N 1 1 323.353 -1.927 20 0 DAADMO Cc1nnc(CC(=O)N(C)CC[NH2+][C@@H](C)c2nnnn2C)[nH]1 ZINC001377578543 921843107 /nfs/dbraw/zinc/84/31/07/921843107.db2.gz OGKMLQKWUVWIEV-QMMMGPOBSA-N 1 1 307.362 -1.012 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001377578909 921843151 /nfs/dbraw/zinc/84/31/51/921843151.db2.gz MPTRNZDZBCQTDH-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001377578909 921843162 /nfs/dbraw/zinc/84/31/62/921843162.db2.gz MPTRNZDZBCQTDH-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(CCn1cnnn1)NC1(CO)CC[NH+](CCF)CC1 ZINC001377579964 921843465 /nfs/dbraw/zinc/84/34/65/921843465.db2.gz JDSCSPCORMUAJZ-UHFFFAOYSA-N 1 1 300.338 -1.024 20 0 DAADMO C[C@@H]([NH2+][C@@H](CNC(=O)Cn1cnnn1)c1ccccc1)C(N)=O ZINC001377607957 921844689 /nfs/dbraw/zinc/84/46/89/921844689.db2.gz JNGRFJKDMABHEC-PWSUYJOCSA-N 1 1 317.353 -1.006 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377680156 921847785 /nfs/dbraw/zinc/84/77/85/921847785.db2.gz SUZUKYMKQQJJAK-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377680156 921847798 /nfs/dbraw/zinc/84/77/98/921847798.db2.gz SUZUKYMKQQJJAK-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn2nccn2)C1 ZINC001377662342 921847960 /nfs/dbraw/zinc/84/79/60/921847960.db2.gz CXRAKQSOOJRPQR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn2nccn2)C1 ZINC001377662342 921847974 /nfs/dbraw/zinc/84/79/74/921847974.db2.gz CXRAKQSOOJRPQR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)N2CCC2)n1 ZINC001377653155 921848242 /nfs/dbraw/zinc/84/82/42/921848242.db2.gz GUPRAAKSNWNLMP-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)N2CCC2)n1 ZINC001377653155 921848253 /nfs/dbraw/zinc/84/82/53/921848253.db2.gz GUPRAAKSNWNLMP-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001377676464 921848638 /nfs/dbraw/zinc/84/86/38/921848638.db2.gz WHCWEYGCTWSJFB-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377680162 921848979 /nfs/dbraw/zinc/84/89/79/921848979.db2.gz SUZUKYMKQQJJAK-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377680162 921848993 /nfs/dbraw/zinc/84/89/93/921848993.db2.gz SUZUKYMKQQJJAK-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001377649273 921849707 /nfs/dbraw/zinc/84/97/07/921849707.db2.gz ADUZMGIULOZOIR-MNOVXSKESA-N 1 1 312.374 -1.246 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001377656095 921849870 /nfs/dbraw/zinc/84/98/70/921849870.db2.gz MKHNSUNUQPGFLN-SECBINFHSA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001377656095 921849884 /nfs/dbraw/zinc/84/98/84/921849884.db2.gz MKHNSUNUQPGFLN-SECBINFHSA-N 1 1 323.357 -1.156 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001377693648 921851671 /nfs/dbraw/zinc/85/16/71/921851671.db2.gz HZIFPBZIHDISCA-NSHDSACASA-N 1 1 310.354 -1.231 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001377685246 921853089 /nfs/dbraw/zinc/85/30/89/921853089.db2.gz DDOTVIVEANJYED-SRVKXCTJSA-N 1 1 316.402 -1.121 20 0 DAADMO Cn1nc(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001377720564 921855642 /nfs/dbraw/zinc/85/56/42/921855642.db2.gz MWTIUIUECZIHGO-SNVBAGLBSA-N 1 1 307.354 -1.293 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001377770361 921858269 /nfs/dbraw/zinc/85/82/69/921858269.db2.gz PYSMRFRBCOQEGQ-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001377768791 921859273 /nfs/dbraw/zinc/85/92/73/921859273.db2.gz XPDVOAIDHSCNBT-GFCCVEGCSA-N 1 1 321.381 -1.101 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001377777776 921864290 /nfs/dbraw/zinc/86/42/90/921864290.db2.gz ZPVPCZSAXUYQJJ-NSHDSACASA-N 1 1 311.386 -2.316 20 0 DAADMO C[C@@H](NC(=O)CCn1ccnn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377781323 921864719 /nfs/dbraw/zinc/86/47/19/921864719.db2.gz KOQZENPXRCLBIS-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001377832324 921866955 /nfs/dbraw/zinc/86/69/55/921866955.db2.gz VNWPLZCGRWSOSH-MNOVXSKESA-N 1 1 310.354 -1.029 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001377835451 921868049 /nfs/dbraw/zinc/86/80/49/921868049.db2.gz HGODSCHXTFXJFL-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001377851591 921870406 /nfs/dbraw/zinc/87/04/06/921870406.db2.gz GDHAXYLMLQIRHS-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377851591 921870418 /nfs/dbraw/zinc/87/04/18/921870418.db2.gz GDHAXYLMLQIRHS-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001377959581 921889364 /nfs/dbraw/zinc/88/93/64/921889364.db2.gz PRYQBMQZUFLRKC-JTQLQIEISA-N 1 1 313.358 -2.440 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001377959581 921889370 /nfs/dbraw/zinc/88/93/70/921889370.db2.gz PRYQBMQZUFLRKC-JTQLQIEISA-N 1 1 313.358 -2.440 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001377958156 921889570 /nfs/dbraw/zinc/88/95/70/921889570.db2.gz DYZQMQWYJWUKLB-AWEZNQCLSA-N 1 1 324.425 -1.109 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001377958156 921889580 /nfs/dbraw/zinc/88/95/80/921889580.db2.gz DYZQMQWYJWUKLB-AWEZNQCLSA-N 1 1 324.425 -1.109 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001377985124 921893186 /nfs/dbraw/zinc/89/31/86/921893186.db2.gz MRYRXTOJAILABD-UHFFFAOYSA-N 1 1 308.342 -1.566 20 0 DAADMO C[C@H](CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1)NC(N)=O ZINC001377976940 921894041 /nfs/dbraw/zinc/89/40/41/921894041.db2.gz ZWWPZWMUTHXBKI-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COCc2nncn2C)C1 ZINC001378004244 921896352 /nfs/dbraw/zinc/89/63/52/921896352.db2.gz IOZRSXVRUZJFBW-JTQLQIEISA-N 1 1 324.385 -1.486 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)COCc2nncn2C)C1 ZINC001378004247 921897880 /nfs/dbraw/zinc/89/78/80/921897880.db2.gz IOZRSXVRUZJFBW-SNVBAGLBSA-N 1 1 324.385 -1.486 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001378022290 921899516 /nfs/dbraw/zinc/89/95/16/921899516.db2.gz PGCGUQKXOILZGS-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)NC(N)=O ZINC001378028330 921901375 /nfs/dbraw/zinc/90/13/75/921901375.db2.gz RPYAJUXTUQWEDF-FIQHERPVSA-N 1 1 314.386 -1.274 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001378045813 921904214 /nfs/dbraw/zinc/90/42/14/921904214.db2.gz QDGGIXWXFQIHTF-GARJFASQSA-N 1 1 300.359 -1.663 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378043379 921904496 /nfs/dbraw/zinc/90/44/96/921904496.db2.gz IBXHLPSXVLIOAJ-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001378042331 921904858 /nfs/dbraw/zinc/90/48/58/921904858.db2.gz DNYLMZDAZFDTLI-QWRGUYRKSA-N 1 1 307.358 -1.378 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001378042331 921904864 /nfs/dbraw/zinc/90/48/64/921904864.db2.gz DNYLMZDAZFDTLI-QWRGUYRKSA-N 1 1 307.358 -1.378 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)N1 ZINC001378043522 921905516 /nfs/dbraw/zinc/90/55/16/921905516.db2.gz PYPUMFOVBCVBAV-ASHKBJFXSA-N 1 1 311.382 -1.053 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)N1 ZINC001378043522 921905530 /nfs/dbraw/zinc/90/55/30/921905530.db2.gz PYPUMFOVBCVBAV-ASHKBJFXSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001378038555 921905869 /nfs/dbraw/zinc/90/58/69/921905869.db2.gz BTJOKZTYPWWMTQ-NWDGAFQWSA-N 1 1 322.373 -1.633 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001378065235 921908539 /nfs/dbraw/zinc/90/85/39/921908539.db2.gz AFMGULSPDDOTCU-JTQLQIEISA-N 1 1 324.389 -1.278 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001378065235 921908553 /nfs/dbraw/zinc/90/85/53/921908553.db2.gz AFMGULSPDDOTCU-JTQLQIEISA-N 1 1 324.389 -1.278 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001378055020 921908954 /nfs/dbraw/zinc/90/89/54/921908954.db2.gz PGWPZSPULFCEPR-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001378056208 921908997 /nfs/dbraw/zinc/90/89/97/921908997.db2.gz URJHISZZBLJCAV-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378056208 921909008 /nfs/dbraw/zinc/90/90/08/921909008.db2.gz URJHISZZBLJCAV-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001378057013 921909071 /nfs/dbraw/zinc/90/90/71/921909071.db2.gz WVUGZHNYQWTIEJ-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001378077482 921911715 /nfs/dbraw/zinc/91/17/15/921911715.db2.gz JWIFNWKCJWJKMK-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378077482 921911730 /nfs/dbraw/zinc/91/17/30/921911730.db2.gz JWIFNWKCJWJKMK-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001378089369 921912063 /nfs/dbraw/zinc/91/20/63/921912063.db2.gz SKYXANCPJDWOKE-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001378089369 921912074 /nfs/dbraw/zinc/91/20/74/921912074.db2.gz SKYXANCPJDWOKE-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087282 921912350 /nfs/dbraw/zinc/91/23/50/921912350.db2.gz UZKGLUPEZXKAGY-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087282 921912359 /nfs/dbraw/zinc/91/23/59/921912359.db2.gz UZKGLUPEZXKAGY-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001378084820 921913076 /nfs/dbraw/zinc/91/30/76/921913076.db2.gz LHQLLGAOSLVVMA-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001378090985 921913793 /nfs/dbraw/zinc/91/37/93/921913793.db2.gz VLJHDXGLRUSMNU-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001378090985 921913804 /nfs/dbraw/zinc/91/38/04/921913804.db2.gz VLJHDXGLRUSMNU-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001378111819 921915597 /nfs/dbraw/zinc/91/55/97/921915597.db2.gz ZTKIQVVBFTYWHU-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001378111819 921915611 /nfs/dbraw/zinc/91/56/11/921915611.db2.gz ZTKIQVVBFTYWHU-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001378108850 921915648 /nfs/dbraw/zinc/91/56/48/921915648.db2.gz BLUXVBWLLPWPAN-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378108850 921915659 /nfs/dbraw/zinc/91/56/59/921915659.db2.gz BLUXVBWLLPWPAN-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001378114828 921916894 /nfs/dbraw/zinc/91/68/94/921916894.db2.gz RNNDJFWMGFXEDV-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001378108819 921918068 /nfs/dbraw/zinc/91/80/68/921918068.db2.gz BLUXVBWLLPWPAN-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378108819 921918075 /nfs/dbraw/zinc/91/80/75/921918075.db2.gz BLUXVBWLLPWPAN-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378120326 921919018 /nfs/dbraw/zinc/91/90/18/921919018.db2.gz AUYWKYRWAKJOQG-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001378120298 921919054 /nfs/dbraw/zinc/91/90/54/921919054.db2.gz BLTSTDJSTJTORO-GFCCVEGCSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001378120298 921919061 /nfs/dbraw/zinc/91/90/61/921919061.db2.gz BLTSTDJSTJTORO-GFCCVEGCSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001378120298 921919073 /nfs/dbraw/zinc/91/90/73/921919073.db2.gz BLTSTDJSTJTORO-GFCCVEGCSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)[N@H+](C)CC(N)=O ZINC001378127108 921919418 /nfs/dbraw/zinc/91/94/18/921919418.db2.gz DABSSDBWIMUJFQ-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)[N@@H+](C)CC(N)=O ZINC001378127108 921919431 /nfs/dbraw/zinc/91/94/31/921919431.db2.gz DABSSDBWIMUJFQ-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)[N@H+](C)CC(N)=O ZINC001378127110 921919698 /nfs/dbraw/zinc/91/96/98/921919698.db2.gz DABSSDBWIMUJFQ-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)[N@@H+](C)CC(N)=O ZINC001378127110 921919712 /nfs/dbraw/zinc/91/97/12/921919712.db2.gz DABSSDBWIMUJFQ-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001378130445 921920202 /nfs/dbraw/zinc/92/02/02/921920202.db2.gz MSLMMLYCBZDCQA-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001378130445 921920216 /nfs/dbraw/zinc/92/02/16/921920216.db2.gz MSLMMLYCBZDCQA-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378123652 921920247 /nfs/dbraw/zinc/92/02/47/921920247.db2.gz IQVHUZVHISRJEE-JGVFFNPUSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378123652 921920257 /nfs/dbraw/zinc/92/02/57/921920257.db2.gz IQVHUZVHISRJEE-JGVFFNPUSA-N 1 1 314.346 -2.440 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001378130437 921920813 /nfs/dbraw/zinc/92/08/13/921920813.db2.gz MSLMMLYCBZDCQA-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001378130437 921920825 /nfs/dbraw/zinc/92/08/25/921920825.db2.gz MSLMMLYCBZDCQA-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001378136803 921921703 /nfs/dbraw/zinc/92/17/03/921921703.db2.gz PZZRLSJWUWXHLI-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001378141267 921922269 /nfs/dbraw/zinc/92/22/69/921922269.db2.gz BIPWXUCYDKDLDS-PWSUYJOCSA-N 1 1 314.386 -1.848 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001378155354 921923038 /nfs/dbraw/zinc/92/30/38/921923038.db2.gz ROLSIXOHVLPLBA-GARJFASQSA-N 1 1 302.375 -1.417 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001378154096 921923151 /nfs/dbraw/zinc/92/31/51/921923151.db2.gz YZHORRRFYMDOKA-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001378144742 921923605 /nfs/dbraw/zinc/92/36/05/921923605.db2.gz DVIIOQUESRMZPR-ONGXEEELSA-N 1 1 322.431 -1.518 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001378144742 921923624 /nfs/dbraw/zinc/92/36/24/921923624.db2.gz DVIIOQUESRMZPR-ONGXEEELSA-N 1 1 322.431 -1.518 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378184524 921927396 /nfs/dbraw/zinc/92/73/96/921927396.db2.gz OXDIRIZINCUZRB-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378184524 921927413 /nfs/dbraw/zinc/92/74/13/921927413.db2.gz OXDIRIZINCUZRB-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378212928 921929508 /nfs/dbraw/zinc/92/95/08/921929508.db2.gz XKPUEMZJNOZKNX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378212928 921929519 /nfs/dbraw/zinc/92/95/19/921929519.db2.gz XKPUEMZJNOZKNX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001378200642 921931690 /nfs/dbraw/zinc/93/16/90/921931690.db2.gz QITSYRLRNAMDQM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001378200642 921931697 /nfs/dbraw/zinc/93/16/97/921931697.db2.gz QITSYRLRNAMDQM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)Cn1ccnc1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223092 921933543 /nfs/dbraw/zinc/93/35/43/921933543.db2.gz AEAZLXDYOZEWIH-ZJUUUORDSA-N 1 1 310.358 -1.097 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001378274628 921940184 /nfs/dbraw/zinc/94/01/84/921940184.db2.gz MHDBXPJKXJIQSG-NEPJUHHUSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378289855 921943634 /nfs/dbraw/zinc/94/36/34/921943634.db2.gz MFYRUOMGPMGOHL-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001378286891 921944218 /nfs/dbraw/zinc/94/42/18/921944218.db2.gz GUUVDHIHEUWTHS-SCZZXKLOSA-N 1 1 323.357 -1.602 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378289864 921944307 /nfs/dbraw/zinc/94/43/07/921944307.db2.gz MFYRUOMGPMGOHL-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nonc1C ZINC001378290317 921946190 /nfs/dbraw/zinc/94/61/90/921946190.db2.gz PMVAFJPATBLYDL-LLVKDONJSA-N 1 1 324.385 -1.206 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001378317388 921949598 /nfs/dbraw/zinc/94/95/98/921949598.db2.gz WTAMDFDGYJKLBY-VXGBXAGGSA-N 1 1 310.398 -1.478 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](C[C@H]3CCOC3)C2)n1 ZINC001378321041 921950427 /nfs/dbraw/zinc/95/04/27/921950427.db2.gz LSIUADRCFOFVEE-SNVBAGLBSA-N 1 1 310.358 -1.587 20 0 DAADMO CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001378329434 921953099 /nfs/dbraw/zinc/95/30/99/921953099.db2.gz XCYPWUAPBYXYDU-VIFPVBQESA-N 1 1 320.357 -1.398 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001378325550 921954151 /nfs/dbraw/zinc/95/41/51/921954151.db2.gz GPILUEQDTCUXPX-NSHDSACASA-N 1 1 322.365 -1.027 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001378371851 921959663 /nfs/dbraw/zinc/95/96/63/921959663.db2.gz NWHUEJFTNSGKPF-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001378398065 921962954 /nfs/dbraw/zinc/96/29/54/921962954.db2.gz XNZHNZXMNDEELU-QMTHXVAHSA-N 1 1 321.385 -1.137 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)c1nnn(C)n1 ZINC001378469489 921964481 /nfs/dbraw/zinc/96/44/81/921964481.db2.gz ODEAAMWGRUYGHV-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCCCC[N@H+]1CCO ZINC001378481826 921964599 /nfs/dbraw/zinc/96/45/99/921964599.db2.gz YAPWRFAAVNVOPU-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CCCCC[N@H+]2CCO)c1=O ZINC001378539021 921975089 /nfs/dbraw/zinc/97/50/89/921975089.db2.gz XYGNVABDQIIHCH-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC001378546861 921975113 /nfs/dbraw/zinc/97/51/13/921975113.db2.gz MTKIDLRQFWGUFE-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378569743 921978854 /nfs/dbraw/zinc/97/88/54/921978854.db2.gz LTTKBBBGQOHJMC-ZJUUUORDSA-N 1 1 309.374 -1.422 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001378647085 921986696 /nfs/dbraw/zinc/98/66/96/921986696.db2.gz BCJJVPJOKAESJQ-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCCO)CC1(C)C ZINC001378655283 921987369 /nfs/dbraw/zinc/98/73/69/921987369.db2.gz YIYWGHIAWCLNRA-JTQLQIEISA-N 1 1 322.431 -1.751 20 0 DAADMO CC[C@@H](C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653100 921987797 /nfs/dbraw/zinc/98/77/97/921987797.db2.gz OPODQJQZJSHHHT-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[C@@H](C[N@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653100 921987809 /nfs/dbraw/zinc/98/78/09/921987809.db2.gz OPODQJQZJSHHHT-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001378647082 921988847 /nfs/dbraw/zinc/98/88/47/921988847.db2.gz BCJJVPJOKAESJQ-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649032 921989079 /nfs/dbraw/zinc/98/90/79/921989079.db2.gz PZIANKQPFNWKOL-QWRGUYRKSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649032 921989084 /nfs/dbraw/zinc/98/90/84/921989084.db2.gz PZIANKQPFNWKOL-QWRGUYRKSA-N 1 1 310.402 -1.098 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673498 921993654 /nfs/dbraw/zinc/99/36/54/921993654.db2.gz QBPHEYMKTQJDNE-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673498 921993664 /nfs/dbraw/zinc/99/36/64/921993664.db2.gz QBPHEYMKTQJDNE-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001378688565 921994321 /nfs/dbraw/zinc/99/43/21/921994321.db2.gz FRWIXISYALOZFH-WISYIIOYSA-N 1 1 324.381 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001378677661 921995287 /nfs/dbraw/zinc/99/52/87/921995287.db2.gz JFNQOUWNSAJLMD-WDEREUQCSA-N 1 1 316.402 -1.121 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001378704853 921998239 /nfs/dbraw/zinc/99/82/39/921998239.db2.gz OSMAQPJGWGQTKV-WISYIIOYSA-N 1 1 323.397 -1.560 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001378697324 921998336 /nfs/dbraw/zinc/99/83/36/921998336.db2.gz DZNNUANRESWFOP-CNDDSTCGSA-N 1 1 319.427 -1.398 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cnnn2)nn1 ZINC001378734563 921999564 /nfs/dbraw/zinc/99/95/64/921999564.db2.gz NZKDWGPQCKTFCA-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001378722906 922000105 /nfs/dbraw/zinc/00/01/05/922000105.db2.gz BBFJKMSHYPLEPR-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cnnn1)c1nncn1C ZINC001378727964 922001551 /nfs/dbraw/zinc/00/15/51/922001551.db2.gz CNLVRBNWYUWDJS-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1nccnc1N ZINC001378753968 922002644 /nfs/dbraw/zinc/00/26/44/922002644.db2.gz LEIMAFMRGAOUPG-QMMMGPOBSA-N 1 1 305.346 -1.167 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 ZINC001378759894 922004336 /nfs/dbraw/zinc/00/43/36/922004336.db2.gz OKVSEUDCLWBYCQ-FIQHERPVSA-N 1 1 309.370 -1.352 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001378759894 922004347 /nfs/dbraw/zinc/00/43/47/922004347.db2.gz OKVSEUDCLWBYCQ-FIQHERPVSA-N 1 1 309.370 -1.352 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001378759894 922004354 /nfs/dbraw/zinc/00/43/54/922004354.db2.gz OKVSEUDCLWBYCQ-FIQHERPVSA-N 1 1 309.370 -1.352 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccccc3=O)[C@@H]2C1 ZINC001378745297 922004844 /nfs/dbraw/zinc/00/48/44/922004844.db2.gz JJMVZSRJTNASGJ-XYYAHUGASA-N 1 1 318.377 -1.112 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001378903632 922017144 /nfs/dbraw/zinc/01/71/44/922017144.db2.gz QWAHENXCGYETDA-UHFFFAOYSA-N 1 1 314.386 -1.501 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001378913415 922019463 /nfs/dbraw/zinc/01/94/63/922019463.db2.gz ABALUSRTBULSMB-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO COCC[N@@H+](C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001378917511 922019793 /nfs/dbraw/zinc/01/97/93/922019793.db2.gz GVIQGNLMXCSKJV-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001379011376 922021646 /nfs/dbraw/zinc/02/16/46/922021646.db2.gz MIKPAUSUQMYWLW-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001379011376 922021662 /nfs/dbraw/zinc/02/16/62/922021662.db2.gz MIKPAUSUQMYWLW-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cnccn1 ZINC001379000511 922022495 /nfs/dbraw/zinc/02/24/95/922022495.db2.gz GMQDJSFLZUZGBD-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnccn1 ZINC001379000511 922022507 /nfs/dbraw/zinc/02/25/07/922022507.db2.gz GMQDJSFLZUZGBD-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1cnnn1C ZINC001379036332 922024999 /nfs/dbraw/zinc/02/49/99/922024999.db2.gz OYQODIFPRHADQR-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cnnn1C ZINC001379036332 922025008 /nfs/dbraw/zinc/02/50/08/922025008.db2.gz OYQODIFPRHADQR-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)COCC1CC1 ZINC001379024372 922027176 /nfs/dbraw/zinc/02/71/76/922027176.db2.gz GQRUAHZMNDANOX-UHFFFAOYSA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)COCC1CC1 ZINC001379024372 922027189 /nfs/dbraw/zinc/02/71/89/922027189.db2.gz GQRUAHZMNDANOX-UHFFFAOYSA-N 1 1 300.359 -1.002 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379022382 922027353 /nfs/dbraw/zinc/02/73/53/922027353.db2.gz HJBOGHZFIYNWJF-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001379046534 922028888 /nfs/dbraw/zinc/02/88/88/922028888.db2.gz UQFAWXVMYBMDLH-SNVBAGLBSA-N 1 1 319.373 -1.103 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001379046532 922029374 /nfs/dbraw/zinc/02/93/74/922029374.db2.gz UQFAWXVMYBMDLH-JTQLQIEISA-N 1 1 319.373 -1.103 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCCC1 ZINC001379055953 922029759 /nfs/dbraw/zinc/02/97/59/922029759.db2.gz SZIUORNYLPUKMK-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCCC1 ZINC001379055953 922029777 /nfs/dbraw/zinc/02/97/77/922029777.db2.gz SZIUORNYLPUKMK-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001379077907 922031111 /nfs/dbraw/zinc/03/11/11/922031111.db2.gz KOBAKCJGIPVVOW-MXWKQRLJSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379096823 922032917 /nfs/dbraw/zinc/03/29/17/922032917.db2.gz XRZJDUQCGBLWDB-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379096823 922032929 /nfs/dbraw/zinc/03/29/29/922032929.db2.gz XRZJDUQCGBLWDB-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379085825 922035156 /nfs/dbraw/zinc/03/51/56/922035156.db2.gz TUKXKBMQBFFSNP-GHMZBOCLSA-N 1 1 302.375 -1.593 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)COCc1nncn1C ZINC001379115595 922037486 /nfs/dbraw/zinc/03/74/86/922037486.db2.gz CBHUPAOXJBXVBU-JTQLQIEISA-N 1 1 312.374 -1.404 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)COCc1nncn1C ZINC001379115595 922037504 /nfs/dbraw/zinc/03/75/04/922037504.db2.gz CBHUPAOXJBXVBU-JTQLQIEISA-N 1 1 312.374 -1.404 20 0 DAADMO COCC[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379110819 922038428 /nfs/dbraw/zinc/03/84/28/922038428.db2.gz VBSLCPJJXGMGKY-UHFFFAOYSA-N 1 1 312.370 -1.266 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@@H]21 ZINC001379145774 922040281 /nfs/dbraw/zinc/04/02/81/922040281.db2.gz CWYCCESNAVKPHW-IUCAKERBSA-N 1 1 321.341 -1.464 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001379154127 922041107 /nfs/dbraw/zinc/04/11/07/922041107.db2.gz KFCZDBQEFFIVLA-JTQLQIEISA-N 1 1 310.358 -1.615 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001379151146 922041908 /nfs/dbraw/zinc/04/19/08/922041908.db2.gz OUZDZFCIXMEFSP-MNOVXSKESA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001379161649 922044934 /nfs/dbraw/zinc/04/49/34/922044934.db2.gz BUGDXECGSJWCAC-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnsc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379165223 922045524 /nfs/dbraw/zinc/04/55/24/922045524.db2.gz PHNCWVQXVXEXEU-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001379161669 922046539 /nfs/dbraw/zinc/04/65/39/922046539.db2.gz BUGDXECGSJWCAC-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001379170357 922048144 /nfs/dbraw/zinc/04/81/44/922048144.db2.gz LRGBECOHAYUYHM-GHMZBOCLSA-N 1 1 322.373 -1.457 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001379167821 922050220 /nfs/dbraw/zinc/05/02/20/922050220.db2.gz QRMTXBDEHILLDW-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001379177022 922053187 /nfs/dbraw/zinc/05/31/87/922053187.db2.gz FHPHQCOILMQFGY-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1nnc(CNC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001379182541 922054172 /nfs/dbraw/zinc/05/41/72/922054172.db2.gz ORCULMGMBBJPNI-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CNC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001379182541 922054187 /nfs/dbraw/zinc/05/41/87/922054187.db2.gz ORCULMGMBBJPNI-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]1 ZINC001379182833 922054591 /nfs/dbraw/zinc/05/45/91/922054591.db2.gz GJWKLDWGMXQPOD-APPZFPTMSA-N 1 1 308.346 -1.317 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001379178548 922054725 /nfs/dbraw/zinc/05/47/25/922054725.db2.gz ZUEHMODJXDCOOE-NEPJUHHUSA-N 1 1 319.427 -1.030 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001379190183 922056577 /nfs/dbraw/zinc/05/65/77/922056577.db2.gz OWKAHGJUOAVIQT-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001379184841 922057096 /nfs/dbraw/zinc/05/70/96/922057096.db2.gz DXZIJPKJDNUIPD-WDEREUQCSA-N 1 1 312.374 -1.264 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001379185084 922057262 /nfs/dbraw/zinc/05/72/62/922057262.db2.gz JXTUYAFQESJBDB-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379198528 922059820 /nfs/dbraw/zinc/05/98/20/922059820.db2.gz RSZQBUAIHJSKMC-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001379200576 922063256 /nfs/dbraw/zinc/06/32/56/922063256.db2.gz XARNMFSBRCWRRA-SNVBAGLBSA-N 1 1 322.373 -1.506 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001379198905 922063667 /nfs/dbraw/zinc/06/36/67/922063667.db2.gz SPEAUWITTDLLCQ-SECBINFHSA-N 1 1 308.346 -1.989 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncccn1 ZINC001379200710 922064185 /nfs/dbraw/zinc/06/41/85/922064185.db2.gz UCJJVTZUCAKJOB-LBPRGKRZSA-N 1 1 320.397 -1.155 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ncc[nH]1 ZINC001379200641 922064767 /nfs/dbraw/zinc/06/47/67/922064767.db2.gz YDKYTWZNCYVIAO-SECBINFHSA-N 1 1 306.330 -1.388 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncccn1 ZINC001379200709 922064971 /nfs/dbraw/zinc/06/49/71/922064971.db2.gz UCJJVTZUCAKJOB-GFCCVEGCSA-N 1 1 320.397 -1.155 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001379200631 922065001 /nfs/dbraw/zinc/06/50/01/922065001.db2.gz XVOFIWSWCKLDCW-WDEREUQCSA-N 1 1 300.315 -1.558 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001379204643 922067224 /nfs/dbraw/zinc/06/72/24/922067224.db2.gz GTNOTZDYSPXDAQ-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001379204644 922069444 /nfs/dbraw/zinc/06/94/44/922069444.db2.gz GTNOTZDYSPXDAQ-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)[nH]1 ZINC001379206335 922071201 /nfs/dbraw/zinc/07/12/01/922071201.db2.gz JFUGBMWZNMXKLH-NXEZZACHSA-N 1 1 310.358 -1.794 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001379206002 922071917 /nfs/dbraw/zinc/07/19/17/922071917.db2.gz FVIOTTSRFGHDRE-ZETCQYMHSA-N 1 1 304.301 -1.178 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001379206414 922072817 /nfs/dbraw/zinc/07/28/17/922072817.db2.gz KAEBCBJTIRBEHB-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)[nH]1 ZINC001379206354 922072853 /nfs/dbraw/zinc/07/28/53/922072853.db2.gz JFUGBMWZNMXKLH-UWVGGRQHSA-N 1 1 310.358 -1.794 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001379206388 922072970 /nfs/dbraw/zinc/07/29/70/922072970.db2.gz JQRRXBLTEQOCHH-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nccs1)C1CS(=O)(=O)C1 ZINC001379209208 922075251 /nfs/dbraw/zinc/07/52/51/922075251.db2.gz PUXBDNGGWRHFLO-VIFPVBQESA-N 1 1 319.408 -1.246 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)[C@@H]1CCC(=O)NC1 ZINC001379211874 922077497 /nfs/dbraw/zinc/07/74/97/922077497.db2.gz ZHENXQGKLFWAJF-MNOVXSKESA-N 1 1 307.354 -1.431 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCC(=O)NC1 ZINC001379211877 922077958 /nfs/dbraw/zinc/07/79/58/922077958.db2.gz ZHENXQGKLFWAJF-QWRGUYRKSA-N 1 1 307.354 -1.431 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379210186 922078545 /nfs/dbraw/zinc/07/85/45/922078545.db2.gz UETRDOOCIAQHFW-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)[nH]1 ZINC001379225688 922082875 /nfs/dbraw/zinc/08/28/75/922082875.db2.gz NRUGMLKWKRUXAI-QWRGUYRKSA-N 1 1 324.385 -1.452 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379228848 922084707 /nfs/dbraw/zinc/08/47/07/922084707.db2.gz JFLJQLYFFRUQDV-SFYZADRCSA-N 1 1 324.345 -2.255 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001379229175 922085116 /nfs/dbraw/zinc/08/51/16/922085116.db2.gz HCYKMRPZXPOWNQ-PRFQISJJSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001379229167 922085559 /nfs/dbraw/zinc/08/55/59/922085559.db2.gz HCYKMRPZXPOWNQ-IIEFLBBWSA-N 1 1 321.381 -1.195 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1c[nH]c(=O)cn1 ZINC001379226562 922085710 /nfs/dbraw/zinc/08/57/10/922085710.db2.gz GBAGHYUUKGVIFO-SECBINFHSA-N 1 1 304.310 -1.560 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001379234005 922088390 /nfs/dbraw/zinc/08/83/90/922088390.db2.gz RPIRGDXWSGLRAM-NXEZZACHSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001379232917 922089934 /nfs/dbraw/zinc/08/99/34/922089934.db2.gz XOEPVTZOYOLYCS-ZDUSSCGKSA-N 1 1 321.385 -1.105 20 0 DAADMO CN1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)=NC1=O ZINC001379238178 922090560 /nfs/dbraw/zinc/09/05/60/922090560.db2.gz CJZFQZOAPLLPKU-JTQLQIEISA-N 1 1 308.342 -1.260 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379245167 922093679 /nfs/dbraw/zinc/09/36/79/922093679.db2.gz GKUMWRKKNWJYKB-GHMZBOCLSA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379245167 922093685 /nfs/dbraw/zinc/09/36/85/922093685.db2.gz GKUMWRKKNWJYKB-GHMZBOCLSA-N 1 1 310.358 -1.917 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)n1C ZINC001379240276 922094171 /nfs/dbraw/zinc/09/41/71/922094171.db2.gz IHUUPMKJNLHQKO-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379241538 922094587 /nfs/dbraw/zinc/09/45/87/922094587.db2.gz NOZRUXAWKPEIQC-VIFPVBQESA-N 1 1 323.357 -1.382 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)nn1 ZINC001379240177 922094783 /nfs/dbraw/zinc/09/47/83/922094783.db2.gz YQSYYEZROJWJMF-PWSUYJOCSA-N 1 1 324.385 -1.702 20 0 DAADMO COCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001379255972 922099712 /nfs/dbraw/zinc/09/97/12/922099712.db2.gz SMHGWPDWBVNCHS-SNVBAGLBSA-N 1 1 324.341 -1.170 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccncn2)n1 ZINC001379255692 922101060 /nfs/dbraw/zinc/10/10/60/922101060.db2.gz CPYBWNOFFKOAHJ-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001379255681 922101482 /nfs/dbraw/zinc/10/14/82/922101482.db2.gz HPRVFCYTGKWCMS-NSHDSACASA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255987 922101929 /nfs/dbraw/zinc/10/19/29/922101929.db2.gz SVLQTUDMCWVMMB-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001379257457 922102080 /nfs/dbraw/zinc/10/20/80/922102080.db2.gz NBNVQUQFSFGTCJ-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379256340 922102107 /nfs/dbraw/zinc/10/21/07/922102107.db2.gz HCAIPFDFHUUMPR-MNOVXSKESA-N 1 1 324.385 -1.467 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001379260110 922103402 /nfs/dbraw/zinc/10/34/02/922103402.db2.gz MSSKIBREQRPSRU-JTQLQIEISA-N 1 1 313.358 -1.141 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001379258998 922103518 /nfs/dbraw/zinc/10/35/18/922103518.db2.gz NLZOMKRNZHRATJ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2cncn2C)n1 ZINC001379260213 922104356 /nfs/dbraw/zinc/10/43/56/922104356.db2.gz RCLKPCVMQQFBAR-LBPRGKRZSA-N 1 1 307.358 -1.642 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379272938 922107669 /nfs/dbraw/zinc/10/76/69/922107669.db2.gz FVCNCHNDZWKAIX-VIFPVBQESA-N 1 1 308.346 -1.949 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001379270268 922110079 /nfs/dbraw/zinc/11/00/79/922110079.db2.gz ARZCINBWCRJSSV-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379279427 922111596 /nfs/dbraw/zinc/11/15/96/922111596.db2.gz PJJXQDGHEMWDAB-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001379283822 922116592 /nfs/dbraw/zinc/11/65/92/922116592.db2.gz GBRORUONMLIRBQ-ONGXEEELSA-N 1 1 322.373 -1.686 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ccnc2)nn1 ZINC001379293011 922120818 /nfs/dbraw/zinc/12/08/18/922120818.db2.gz OZBVNXDLWOWVMN-GFCCVEGCSA-N 1 1 307.358 -1.239 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001379321250 922124198 /nfs/dbraw/zinc/12/41/98/922124198.db2.gz YEQISLZOKAUYRO-NSHDSACASA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@H](C[NH2+]Cc1nc(C2CC2)nn1C)NC(=O)Cn1cnnn1 ZINC001379338921 922127066 /nfs/dbraw/zinc/12/70/66/922127066.db2.gz VETDKPCDVXINFL-SECBINFHSA-N 1 1 319.373 -1.027 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001379355208 922130565 /nfs/dbraw/zinc/13/05/65/922130565.db2.gz FVPHPTDQNUHFLA-NSHDSACASA-N 1 1 324.337 -1.060 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001379356468 922134360 /nfs/dbraw/zinc/13/43/60/922134360.db2.gz APIBRONLVPIDLJ-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001379365310 922136644 /nfs/dbraw/zinc/13/66/44/922136644.db2.gz RMIFWTWJMHYYBG-VIFPVBQESA-N 1 1 300.315 -1.094 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001379366964 922136799 /nfs/dbraw/zinc/13/67/99/922136799.db2.gz XNPWXNUWZCKXAR-KOLCDFICSA-N 1 1 312.374 -1.611 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001379363645 922137285 /nfs/dbraw/zinc/13/72/85/922137285.db2.gz RLGUEHXRSPXXQM-VXNVDRBHSA-N 1 1 301.372 -1.371 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001379374364 922142608 /nfs/dbraw/zinc/14/26/08/922142608.db2.gz RPRZYFDCRJVPFD-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001379376154 922142851 /nfs/dbraw/zinc/14/28/51/922142851.db2.gz SHFFXXUIQSLAGO-NXEZZACHSA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001379375945 922142978 /nfs/dbraw/zinc/14/29/78/922142978.db2.gz RZGZQQWJXGSJIA-JSGCOSHPSA-N 1 1 323.397 -1.318 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001379373723 922143426 /nfs/dbraw/zinc/14/34/26/922143426.db2.gz PPVMPMIQUMQSSU-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001379374370 922143590 /nfs/dbraw/zinc/14/35/90/922143590.db2.gz RPRZYFDCRJVPFD-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001379391970 922151438 /nfs/dbraw/zinc/15/14/38/922151438.db2.gz BEZULOWJKLQLTP-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001379401359 922155618 /nfs/dbraw/zinc/15/56/18/922155618.db2.gz WPTKUSXHLHVENS-WDMOLILDSA-N 1 1 309.370 -1.099 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001379405869 922157512 /nfs/dbraw/zinc/15/75/12/922157512.db2.gz PEPIOHCRBUXSRO-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@@H+]1C ZINC001379403888 922159810 /nfs/dbraw/zinc/15/98/10/922159810.db2.gz ZKHYHNZRJPFAFP-OPRDCNLKSA-N 1 1 312.374 -1.583 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@H+]1C ZINC001379403888 922159823 /nfs/dbraw/zinc/15/98/23/922159823.db2.gz ZKHYHNZRJPFAFP-OPRDCNLKSA-N 1 1 312.374 -1.583 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)n[nH]1 ZINC001379410060 922162350 /nfs/dbraw/zinc/16/23/50/922162350.db2.gz ZJIXWCRTYRDBSD-NXEZZACHSA-N 1 1 310.358 -1.999 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)CN1CCNC(=O)C1 ZINC001379414558 922164272 /nfs/dbraw/zinc/16/42/72/922164272.db2.gz UATYOSKQRRHQQT-LLVKDONJSA-N 1 1 306.370 -1.497 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001379425103 922169193 /nfs/dbraw/zinc/16/91/93/922169193.db2.gz DRODGJXHBIAMBT-VXGBXAGGSA-N 1 1 309.370 -1.345 20 0 DAADMO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1ncn[nH]1 ZINC001379435608 922173929 /nfs/dbraw/zinc/17/39/29/922173929.db2.gz WVJNJJCDEIQXBH-MRVPVSSYSA-N 1 1 304.314 -1.059 20 0 DAADMO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1nc[nH]n1 ZINC001379435608 922173938 /nfs/dbraw/zinc/17/39/38/922173938.db2.gz WVJNJJCDEIQXBH-MRVPVSSYSA-N 1 1 304.314 -1.059 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001379441777 922177690 /nfs/dbraw/zinc/17/76/90/922177690.db2.gz ZYPPJYNIOJDSAE-NXEZZACHSA-N 1 1 319.383 -1.017 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379446366 922181697 /nfs/dbraw/zinc/18/16/97/922181697.db2.gz BMVDRTXLXOJFSR-SCZZXKLOSA-N 1 1 307.358 -1.119 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001379463360 922183491 /nfs/dbraw/zinc/18/34/91/922183491.db2.gz KUDQKIAYRFCSES-CBAPKCEASA-N 1 1 315.399 -1.075 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001379463858 922183712 /nfs/dbraw/zinc/18/37/12/922183712.db2.gz LQLMQTRQGCXJRL-GFCCVEGCSA-N 1 1 324.385 -2.581 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001379463921 922185737 /nfs/dbraw/zinc/18/57/37/922185737.db2.gz BFSKSWYEIVWNIU-ZANVPECISA-N 1 1 310.358 -1.950 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379475619 922191636 /nfs/dbraw/zinc/19/16/36/922191636.db2.gz IJSMIIHUKQJFQG-ONGXEEELSA-N 1 1 308.342 -1.967 20 0 DAADMO Cc1csc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001379477736 922191851 /nfs/dbraw/zinc/19/18/51/922191851.db2.gz NDMFDMCWJVGKNB-DTWKUNHWSA-N 1 1 313.383 -1.300 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001379478057 922196596 /nfs/dbraw/zinc/19/65/96/922196596.db2.gz NPWUENHKZFGSOJ-WDEREUQCSA-N 1 1 310.358 -1.849 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001379477999 922196899 /nfs/dbraw/zinc/19/68/99/922196899.db2.gz NJWKBPQUIJARKB-ZJUUUORDSA-N 1 1 324.341 -2.267 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1CCC(=O)N1 ZINC001379489479 922198477 /nfs/dbraw/zinc/19/84/77/922198477.db2.gz HVUWRPOFLZKBFM-VHSXEESVSA-N 1 1 322.369 -1.319 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)CS(C)(=O)=O ZINC001379491778 922198622 /nfs/dbraw/zinc/19/86/22/922198622.db2.gz CNIORGMQSBBEBE-VIFPVBQESA-N 1 1 321.378 -1.114 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)nn1C ZINC001379495160 922199889 /nfs/dbraw/zinc/19/98/89/922199889.db2.gz DHDFZFPDOFXUSR-WCQYABFASA-N 1 1 323.397 -1.036 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)n1 ZINC001379497972 922202970 /nfs/dbraw/zinc/20/29/70/922202970.db2.gz OJIOUFZXDMPSDH-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001379497379 922203114 /nfs/dbraw/zinc/20/31/14/922203114.db2.gz MKFTZFGSTMBXMP-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001379496633 922204003 /nfs/dbraw/zinc/20/40/03/922204003.db2.gz HXOCZTGCDBKIME-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001379504564 922205478 /nfs/dbraw/zinc/20/54/78/922205478.db2.gz ZBHUPBPXXFECAJ-LBPRGKRZSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001379504560 922206430 /nfs/dbraw/zinc/20/64/30/922206430.db2.gz ZBHUPBPXXFECAJ-GFCCVEGCSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cc(C(N)=O)c[nH]2)n1 ZINC001379503141 922207011 /nfs/dbraw/zinc/20/70/11/922207011.db2.gz KTWKTTNKYWDYEU-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001379504040 922207443 /nfs/dbraw/zinc/20/74/43/922207443.db2.gz RVONOXKMXYMFAS-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001379504040 922207461 /nfs/dbraw/zinc/20/74/61/922207461.db2.gz RVONOXKMXYMFAS-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)[NH+]1CCC(C(=O)NC[C@@H](CO)NCC(N)=O)CC1 ZINC001379510868 922210603 /nfs/dbraw/zinc/21/06/03/922210603.db2.gz ZUMRMPKFBMBJQZ-LBPRGKRZSA-N 1 1 300.403 -1.341 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001379509538 922211293 /nfs/dbraw/zinc/21/12/93/922211293.db2.gz QLVOZMMQCIZVNJ-SNVBAGLBSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001379521050 922212309 /nfs/dbraw/zinc/21/23/09/922212309.db2.gz RHSMZMNQSZLZOG-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001379522991 922212818 /nfs/dbraw/zinc/21/28/18/922212818.db2.gz BETVNKAGQVMROU-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379527534 922215904 /nfs/dbraw/zinc/21/59/04/922215904.db2.gz NPFUBRYUXHYKBF-CHWSQXEVSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379527534 922215920 /nfs/dbraw/zinc/21/59/20/922215920.db2.gz NPFUBRYUXHYKBF-CHWSQXEVSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379525675 922216705 /nfs/dbraw/zinc/21/67/05/922216705.db2.gz LLLOBBIQKPUSLY-SECBINFHSA-N 1 1 300.363 -1.583 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379525675 922216721 /nfs/dbraw/zinc/21/67/21/922216721.db2.gz LLLOBBIQKPUSLY-SECBINFHSA-N 1 1 300.363 -1.583 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379532873 922222251 /nfs/dbraw/zinc/22/22/51/922222251.db2.gz QLUXEUOVMDZPAI-UWVGGRQHSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379563155 922224515 /nfs/dbraw/zinc/22/45/15/922224515.db2.gz LFLCDXYKYAGZQF-IUCAKERBSA-N 1 1 306.326 -1.331 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001379545717 922225063 /nfs/dbraw/zinc/22/50/63/922225063.db2.gz DMFXHCSAMKDAEO-GZMMTYOYSA-N 1 1 309.374 -1.118 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001379546144 922225990 /nfs/dbraw/zinc/22/59/90/922225990.db2.gz ROUDXFTWBDPJAX-NXEZZACHSA-N 1 1 324.389 -1.392 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)[C@H]1C ZINC001379540274 922226485 /nfs/dbraw/zinc/22/64/85/922226485.db2.gz MIUCJRMHUQSKKE-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001379591779 922227740 /nfs/dbraw/zinc/22/77/40/922227740.db2.gz JTKSIKPHYHRBCP-YUMQZZPRSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612512 922231202 /nfs/dbraw/zinc/23/12/02/922231202.db2.gz AJUBKYIGJVXMKO-BDAKNGLRSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612512 922231221 /nfs/dbraw/zinc/23/12/21/922231221.db2.gz AJUBKYIGJVXMKO-BDAKNGLRSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001379601033 922231460 /nfs/dbraw/zinc/23/14/60/922231460.db2.gz XRNWZUQDDWTYGP-IUCAKERBSA-N 1 1 322.373 -1.284 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001379612173 922232501 /nfs/dbraw/zinc/23/25/01/922232501.db2.gz DAMGECVGFSVFGF-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001379613333 922232759 /nfs/dbraw/zinc/23/27/59/922232759.db2.gz DOZOUXTUOMRBNM-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001379613333 922232778 /nfs/dbraw/zinc/23/27/78/922232778.db2.gz DOZOUXTUOMRBNM-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001379594904 922233618 /nfs/dbraw/zinc/23/36/18/922233618.db2.gz ZXYJLSOOHYMWTE-BDAKNGLRSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001379664291 922235491 /nfs/dbraw/zinc/23/54/91/922235491.db2.gz PLVUZGXFUVJPLG-MNOVXSKESA-N 1 1 324.447 -1.458 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001379642739 922235775 /nfs/dbraw/zinc/23/57/75/922235775.db2.gz DNQHBVGZBNMLIE-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001379642739 922235786 /nfs/dbraw/zinc/23/57/86/922235786.db2.gz DNQHBVGZBNMLIE-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001379658677 922235944 /nfs/dbraw/zinc/23/59/44/922235944.db2.gz MLFVXFJTCWLGNY-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379658677 922235952 /nfs/dbraw/zinc/23/59/52/922235952.db2.gz MLFVXFJTCWLGNY-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379658688 922236032 /nfs/dbraw/zinc/23/60/32/922236032.db2.gz MLFVXFJTCWLGNY-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379658688 922236037 /nfs/dbraw/zinc/23/60/37/922236037.db2.gz MLFVXFJTCWLGNY-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001379676691 922236933 /nfs/dbraw/zinc/23/69/33/922236933.db2.gz DWMMLOWJWKDYKI-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001379676691 922236951 /nfs/dbraw/zinc/23/69/51/922236951.db2.gz DWMMLOWJWKDYKI-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001379689437 922238847 /nfs/dbraw/zinc/23/88/47/922238847.db2.gz PIUYINXODYNMAA-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379689437 922238865 /nfs/dbraw/zinc/23/88/65/922238865.db2.gz PIUYINXODYNMAA-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001379687219 922239005 /nfs/dbraw/zinc/23/90/05/922239005.db2.gz MPBBEXQZFPLMSX-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001379687219 922239019 /nfs/dbraw/zinc/23/90/19/922239019.db2.gz MPBBEXQZFPLMSX-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001379705399 922239954 /nfs/dbraw/zinc/23/99/54/922239954.db2.gz UFVOSPAMCDFRMX-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001379705399 922239966 /nfs/dbraw/zinc/23/99/66/922239966.db2.gz UFVOSPAMCDFRMX-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001379683871 922241048 /nfs/dbraw/zinc/24/10/48/922241048.db2.gz FTDVPWRPSZKNHX-ZJUUUORDSA-N 1 1 324.389 -1.357 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001379689448 922241075 /nfs/dbraw/zinc/24/10/75/922241075.db2.gz PIUYINXODYNMAA-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379689448 922241088 /nfs/dbraw/zinc/24/10/88/922241088.db2.gz PIUYINXODYNMAA-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)co1 ZINC001379739102 922242641 /nfs/dbraw/zinc/24/26/41/922242641.db2.gz CYHSSPGXRQLUFI-NSHDSACASA-N 1 1 309.330 -1.421 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001379743811 922243297 /nfs/dbraw/zinc/24/32/97/922243297.db2.gz JMQQUBRTGAKZPJ-NSHDSACASA-N 1 1 312.374 -1.657 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379727345 922243653 /nfs/dbraw/zinc/24/36/53/922243653.db2.gz VHTBMOMWKYRZSN-IUCAKERBSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379727345 922243667 /nfs/dbraw/zinc/24/36/67/922243667.db2.gz VHTBMOMWKYRZSN-IUCAKERBSA-N 1 1 321.403 -2.347 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)C(=O)C(F)F ZINC001379730839 922244818 /nfs/dbraw/zinc/24/48/18/922244818.db2.gz QLQAIWTZZRSLNQ-QMMMGPOBSA-N 1 1 319.312 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379727337 922245165 /nfs/dbraw/zinc/24/51/65/922245165.db2.gz VHTBMOMWKYRZSN-BDAKNGLRSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379727337 922245176 /nfs/dbraw/zinc/24/51/76/922245176.db2.gz VHTBMOMWKYRZSN-BDAKNGLRSA-N 1 1 321.403 -2.347 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001379743806 922245373 /nfs/dbraw/zinc/24/53/73/922245373.db2.gz JMQQUBRTGAKZPJ-LLVKDONJSA-N 1 1 312.374 -1.657 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746853 922246783 /nfs/dbraw/zinc/24/67/83/922246783.db2.gz YZAFNGWEKLRGQJ-DTWKUNHWSA-N 1 1 323.419 -2.307 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746853 922246795 /nfs/dbraw/zinc/24/67/95/922246795.db2.gz YZAFNGWEKLRGQJ-DTWKUNHWSA-N 1 1 323.419 -2.307 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001379754919 922247049 /nfs/dbraw/zinc/24/70/49/922247049.db2.gz FUOIGOISLVBDBD-MWLCHTKSSA-N 1 1 322.373 -1.354 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379756817 922247723 /nfs/dbraw/zinc/24/77/23/922247723.db2.gz JKMIIESMJIJACA-NXEZZACHSA-N 1 1 312.374 -1.487 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761277 922249865 /nfs/dbraw/zinc/24/98/65/922249865.db2.gz QXJVDKNOHMGLRE-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761277 922249881 /nfs/dbraw/zinc/24/98/81/922249881.db2.gz QXJVDKNOHMGLRE-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)Cn1ncn2nccc2c1=O ZINC001379759510 922250924 /nfs/dbraw/zinc/25/09/24/922250924.db2.gz UEWONFFMXGUKJF-JTQLQIEISA-N 1 1 308.342 -1.680 20 0 DAADMO CN(C[C@H](O)CNCc1nnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379759551 922252162 /nfs/dbraw/zinc/25/21/62/922252162.db2.gz POKDOMCEMZZXDJ-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCn1cnccc1=O ZINC001379761268 922252600 /nfs/dbraw/zinc/25/26/00/922252600.db2.gz JJTJVIXKHMKNNS-WDEREUQCSA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCn1cnccc1=O ZINC001379761268 922252609 /nfs/dbraw/zinc/25/26/09/922252609.db2.gz JJTJVIXKHMKNNS-WDEREUQCSA-N 1 1 309.370 -1.056 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001379763107 922253097 /nfs/dbraw/zinc/25/30/97/922253097.db2.gz VJDRNPTWCHRKPC-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO CN(C[C@H](O)CNCc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379759542 922253434 /nfs/dbraw/zinc/25/34/34/922253434.db2.gz POKDOMCEMZZXDJ-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001379766449 922254275 /nfs/dbraw/zinc/25/42/75/922254275.db2.gz HGLUTAAHWVDSNE-MNOVXSKESA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1)n1cncn1 ZINC001379772122 922254918 /nfs/dbraw/zinc/25/49/18/922254918.db2.gz SJDUXGDLLKITEU-MWLCHTKSSA-N 1 1 309.330 -1.169 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001379769503 922255206 /nfs/dbraw/zinc/25/52/06/922255206.db2.gz UPADUVBNVRFHGO-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncc(C)o1 ZINC001379793382 922265054 /nfs/dbraw/zinc/26/50/54/922265054.db2.gz FHCITRVAWAILLR-JTQLQIEISA-N 1 1 313.358 -1.179 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)NC1 ZINC001379799500 922266552 /nfs/dbraw/zinc/26/65/52/922266552.db2.gz FXGGMSXPWJCSPL-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001379804741 922267488 /nfs/dbraw/zinc/26/74/88/922267488.db2.gz KEMRNNGMRGTDHK-SRVKXCTJSA-N 1 1 316.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379806255 922270625 /nfs/dbraw/zinc/27/06/25/922270625.db2.gz YNPDSSWFLSFIBM-SECBINFHSA-N 1 1 313.362 -2.347 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001379818132 922272053 /nfs/dbraw/zinc/27/20/53/922272053.db2.gz RCXGMCDZYVBEAI-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCCN1C ZINC001379818454 922273709 /nfs/dbraw/zinc/27/37/09/922273709.db2.gz ACKYNTJODRLENO-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379831440 922275772 /nfs/dbraw/zinc/27/57/72/922275772.db2.gz YQIUBKIAKOIUPL-ONGXEEELSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001379842217 922275950 /nfs/dbraw/zinc/27/59/50/922275950.db2.gz QYSNYBGSWPHRKA-FZMZJTMJSA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnn(C)n2)[nH]1 ZINC001379840870 922276918 /nfs/dbraw/zinc/27/69/18/922276918.db2.gz JVXLJKTZGNVWLW-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)C1 ZINC001379855382 922279558 /nfs/dbraw/zinc/27/95/58/922279558.db2.gz FZMJNFKMXYGRSC-LBPRGKRZSA-N 1 1 321.385 -1.327 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001379847195 922280086 /nfs/dbraw/zinc/28/00/86/922280086.db2.gz XTRFNAXVCPGNPV-ONGXEEELSA-N 1 1 311.342 -1.353 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnn(C)n1 ZINC001379847724 922280136 /nfs/dbraw/zinc/28/01/36/922280136.db2.gz ZCPAZBHFXFWBOL-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)CCNC(N)=O ZINC001379855661 922280367 /nfs/dbraw/zinc/28/03/67/922280367.db2.gz CWFALLRDWFSSAH-MRVPVSSYSA-N 1 1 316.387 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccco1 ZINC001379858462 922281170 /nfs/dbraw/zinc/28/11/70/922281170.db2.gz WIYGUPHZZWEAIB-SNVBAGLBSA-N 1 1 308.342 -1.045 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001379861701 922282396 /nfs/dbraw/zinc/28/23/96/922282396.db2.gz NLZYNTJLCOMCOK-LBPRGKRZSA-N 1 1 322.373 -1.501 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(C)C ZINC001379882261 922288729 /nfs/dbraw/zinc/28/87/29/922288729.db2.gz GLWQUDYHRKTDNH-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(C)C ZINC001379882261 922288743 /nfs/dbraw/zinc/28/87/43/922288743.db2.gz GLWQUDYHRKTDNH-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001379917405 922289663 /nfs/dbraw/zinc/28/96/63/922289663.db2.gz MHEKQJHOUFPRPJ-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001379917405 922289678 /nfs/dbraw/zinc/28/96/78/922289678.db2.gz MHEKQJHOUFPRPJ-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379914574 922289804 /nfs/dbraw/zinc/28/98/04/922289804.db2.gz FGHGHFYBEHOALT-MNOVXSKESA-N 1 1 315.374 -1.813 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001379917458 922290003 /nfs/dbraw/zinc/29/00/03/922290003.db2.gz UNJAIRGVWBJZCA-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001379917444 922290184 /nfs/dbraw/zinc/29/01/84/922290184.db2.gz UNJAIRGVWBJZCA-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905403 922290677 /nfs/dbraw/zinc/29/06/77/922290677.db2.gz DASDGCCMOWGZTJ-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905403 922290690 /nfs/dbraw/zinc/29/06/90/922290690.db2.gz DASDGCCMOWGZTJ-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001379909501 922290762 /nfs/dbraw/zinc/29/07/62/922290762.db2.gz MAXVGCCMNIOPFR-NEPJUHHUSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001379919310 922291779 /nfs/dbraw/zinc/29/17/79/922291779.db2.gz WYNDATSZNSNPOI-ZJUUUORDSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001379919310 922291793 /nfs/dbraw/zinc/29/17/93/922291793.db2.gz WYNDATSZNSNPOI-ZJUUUORDSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001379917418 922292169 /nfs/dbraw/zinc/29/21/69/922292169.db2.gz UNJAIRGVWBJZCA-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001379920134 922292413 /nfs/dbraw/zinc/29/24/13/922292413.db2.gz XEMHHIHPNPHARR-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001379911199 922293019 /nfs/dbraw/zinc/29/30/19/922293019.db2.gz DSOGQOVRHSPXKA-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001379911199 922293031 /nfs/dbraw/zinc/29/30/31/922293031.db2.gz DSOGQOVRHSPXKA-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379914144 922293325 /nfs/dbraw/zinc/29/33/25/922293325.db2.gz RCIXKEKMRWVXQF-NXEZZACHSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379914144 922293335 /nfs/dbraw/zinc/29/33/35/922293335.db2.gz RCIXKEKMRWVXQF-NXEZZACHSA-N 1 1 318.374 -1.785 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001379920131 922293522 /nfs/dbraw/zinc/29/35/22/922293522.db2.gz XEMHHIHPNPHARR-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C2CCC2)nn1 ZINC001379909556 922293940 /nfs/dbraw/zinc/29/39/40/922293940.db2.gz AZTWPYZUJSDWPY-LLVKDONJSA-N 1 1 324.385 -1.147 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C2CCC2)nn1 ZINC001379909556 922293953 /nfs/dbraw/zinc/29/39/53/922293953.db2.gz AZTWPYZUJSDWPY-LLVKDONJSA-N 1 1 324.385 -1.147 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930021 922295261 /nfs/dbraw/zinc/29/52/61/922295261.db2.gz JRQBCNITYVUNQF-PWSUYJOCSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930021 922295277 /nfs/dbraw/zinc/29/52/77/922295277.db2.gz JRQBCNITYVUNQF-PWSUYJOCSA-N 1 1 324.381 -1.376 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001379920965 922296086 /nfs/dbraw/zinc/29/60/86/922296086.db2.gz YRSJPGVPQGORDN-GRYCIOLGSA-N 1 1 317.386 -1.977 20 0 DAADMO C[C@H]([NH2+]C[C@@H](NC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001379921904 922296292 /nfs/dbraw/zinc/29/62/92/922296292.db2.gz NNJYNULQKPPANI-WCBMZHEXSA-N 1 1 324.389 -1.186 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001379940566 922297057 /nfs/dbraw/zinc/29/70/57/922297057.db2.gz FEQQRLLGCXKOEE-NXEZZACHSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC1=O ZINC001379932365 922297401 /nfs/dbraw/zinc/29/74/01/922297401.db2.gz DLUPOXIRQIZLIW-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC1=O ZINC001379932365 922297411 /nfs/dbraw/zinc/29/74/11/922297411.db2.gz DLUPOXIRQIZLIW-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C)CC1 ZINC001379923921 922298081 /nfs/dbraw/zinc/29/80/81/922298081.db2.gz VBCYBFDSXPUZHU-JTQLQIEISA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C)CC1 ZINC001379923921 922298094 /nfs/dbraw/zinc/29/80/94/922298094.db2.gz VBCYBFDSXPUZHU-JTQLQIEISA-N 1 1 314.386 -1.007 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379944887 922300622 /nfs/dbraw/zinc/30/06/22/922300622.db2.gz XHEOVNDWDSQYGV-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379944887 922300643 /nfs/dbraw/zinc/30/06/43/922300643.db2.gz XHEOVNDWDSQYGV-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957321 922300994 /nfs/dbraw/zinc/30/09/94/922300994.db2.gz DIAJLFULJDUHTJ-JGVFFNPUSA-N 1 1 301.322 -1.213 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957321 922301009 /nfs/dbraw/zinc/30/10/09/922301009.db2.gz DIAJLFULJDUHTJ-JGVFFNPUSA-N 1 1 301.322 -1.213 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001379955782 922302035 /nfs/dbraw/zinc/30/20/35/922302035.db2.gz BJWPGDOSAVNORF-LBPRGKRZSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001379955782 922302045 /nfs/dbraw/zinc/30/20/45/922302045.db2.gz BJWPGDOSAVNORF-LBPRGKRZSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001379969531 922304850 /nfs/dbraw/zinc/30/48/50/922304850.db2.gz NWKQLIVVQVUKCL-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001379959917 922306298 /nfs/dbraw/zinc/30/62/98/922306298.db2.gz GXNZRDVCTHAJEV-RYUDHWBXSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001379970670 922307591 /nfs/dbraw/zinc/30/75/91/922307591.db2.gz ZPILDAJPHSTJTD-LLVKDONJSA-N 1 1 324.447 -1.458 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379974624 922308431 /nfs/dbraw/zinc/30/84/31/922308431.db2.gz RPQCRGXJCPLNMC-VXGBXAGGSA-N 1 1 300.403 -1.565 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001379970105 922309604 /nfs/dbraw/zinc/30/96/04/922309604.db2.gz KTFFJNCDIMLJEP-STQMWFEESA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001379970105 922309622 /nfs/dbraw/zinc/30/96/22/922309622.db2.gz KTFFJNCDIMLJEP-STQMWFEESA-N 1 1 314.430 -1.034 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976308 922310895 /nfs/dbraw/zinc/31/08/95/922310895.db2.gz LLDOHYCLPIALQM-GHMZBOCLSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976308 922310909 /nfs/dbraw/zinc/31/09/09/922310909.db2.gz LLDOHYCLPIALQM-GHMZBOCLSA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001379977510 922310961 /nfs/dbraw/zinc/31/09/61/922310961.db2.gz ZVXACZWLMRPOQC-QWRGUYRKSA-N 1 1 308.400 -1.693 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001379977510 922310976 /nfs/dbraw/zinc/31/09/76/922310976.db2.gz ZVXACZWLMRPOQC-QWRGUYRKSA-N 1 1 308.400 -1.693 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O ZINC001379978390 922311348 /nfs/dbraw/zinc/31/13/48/922311348.db2.gz NSARLSIUWLEFQT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CC(=O)NC(N)=O ZINC001379978386 922311925 /nfs/dbraw/zinc/31/19/25/922311925.db2.gz NSARLSIUWLEFQT-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984637 922312491 /nfs/dbraw/zinc/31/24/91/922312491.db2.gz NEPISSLGYCQVRF-MNOVXSKESA-N 1 1 314.386 -1.531 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379986264 922312524 /nfs/dbraw/zinc/31/25/24/922312524.db2.gz QJUVICWBOPVRRE-QWRGUYRKSA-N 1 1 320.415 -1.733 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001379985414 922313073 /nfs/dbraw/zinc/31/30/73/922313073.db2.gz QPQRWZNAKQLEKT-WCQYABFASA-N 1 1 313.402 -1.120 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379986265 922313221 /nfs/dbraw/zinc/31/32/21/922313221.db2.gz QJUVICWBOPVRRE-WDEREUQCSA-N 1 1 320.415 -1.733 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984640 922313896 /nfs/dbraw/zinc/31/38/96/922313896.db2.gz NEPISSLGYCQVRF-QWRGUYRKSA-N 1 1 314.386 -1.531 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379981440 922315594 /nfs/dbraw/zinc/31/55/94/922315594.db2.gz FUHYSRXTSOYUOP-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001380029277 922316862 /nfs/dbraw/zinc/31/68/62/922316862.db2.gz GKQFJAXIPBOUKI-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001380029277 922316878 /nfs/dbraw/zinc/31/68/78/922316878.db2.gz GKQFJAXIPBOUKI-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001380004177 922317136 /nfs/dbraw/zinc/31/71/36/922317136.db2.gz ZWRMFZZXFFTDTP-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001380004177 922317142 /nfs/dbraw/zinc/31/71/42/922317142.db2.gz ZWRMFZZXFFTDTP-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380018477 922318863 /nfs/dbraw/zinc/31/88/63/922318863.db2.gz XEJPKJYQXWDMDH-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO Cn1ncnc1CNC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001380065498 922321060 /nfs/dbraw/zinc/32/10/60/922321060.db2.gz WSAKBEJESIICKP-LLVKDONJSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1ncnc1CNC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001380065498 922321072 /nfs/dbraw/zinc/32/10/72/922321072.db2.gz WSAKBEJESIICKP-LLVKDONJSA-N 1 1 308.386 -1.116 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)cn1)[C@H]1CCNC1=O ZINC001380106635 922328514 /nfs/dbraw/zinc/32/85/14/922328514.db2.gz YGCGHIMODQNVFX-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)cn1)[C@H]1CCNC1=O ZINC001380106635 922328532 /nfs/dbraw/zinc/32/85/32/922328532.db2.gz YGCGHIMODQNVFX-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC([NH2+][C@H](C)c2nnnn2C)C1 ZINC001380155563 922335206 /nfs/dbraw/zinc/33/52/06/922335206.db2.gz CQQSWOPJHDWUOM-XNWIYYODSA-N 1 1 324.389 -1.221 20 0 DAADMO CN(C(=O)CCn1cnnn1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001380169649 922336297 /nfs/dbraw/zinc/33/62/97/922336297.db2.gz CTGPQMZYCYZVTJ-UHFFFAOYSA-N 1 1 319.373 -1.029 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)NC[C@@H]1CCOC1 ZINC001380156916 922338724 /nfs/dbraw/zinc/33/87/24/922338724.db2.gz JQLFGDZYXAKORM-JTQLQIEISA-N 1 1 322.369 -1.191 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)NC[C@@H]1CCOC1 ZINC001380156916 922338736 /nfs/dbraw/zinc/33/87/36/922338736.db2.gz JQLFGDZYXAKORM-JTQLQIEISA-N 1 1 322.369 -1.191 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCc2cn(C)nn2)C1 ZINC001380258596 922346193 /nfs/dbraw/zinc/34/61/93/922346193.db2.gz YTRKDCHOBKNNNL-ZDUSSCGKSA-N 1 1 311.386 -1.102 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380358788 922351575 /nfs/dbraw/zinc/35/15/75/922351575.db2.gz PBPYXKSXAXJOAS-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380358788 922351588 /nfs/dbraw/zinc/35/15/88/922351588.db2.gz PBPYXKSXAXJOAS-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CN(C)C(=O)COC)C1 ZINC001380351138 922352408 /nfs/dbraw/zinc/35/24/08/922352408.db2.gz MNLYAIWZZMHQRS-AWEZNQCLSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CN(C)C(=O)COC)C1 ZINC001380351138 922352421 /nfs/dbraw/zinc/35/24/21/922352421.db2.gz MNLYAIWZZMHQRS-AWEZNQCLSA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1cnn(CC(=O)N[C@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380346687 922353275 /nfs/dbraw/zinc/35/32/75/922353275.db2.gz LSKQPELEVLXXPF-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1cnn(CC(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380346687 922353286 /nfs/dbraw/zinc/35/32/86/922353286.db2.gz LSKQPELEVLXXPF-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380346834 922353510 /nfs/dbraw/zinc/35/35/10/922353510.db2.gz AYTPQNNVWWIQOJ-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 ZINC001380346489 922354114 /nfs/dbraw/zinc/35/41/14/922354114.db2.gz SWJKQFSSLHAVMH-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@]1(NC(=O)CN2CCCCS2(=O)=O)CC[N@@H+](CCO)C1 ZINC001380349286 922354439 /nfs/dbraw/zinc/35/44/39/922354439.db2.gz AJUOHLQOAMQJSJ-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380358204 922354670 /nfs/dbraw/zinc/35/46/70/922354670.db2.gz PBPYXKSXAXJOAS-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380358204 922354683 /nfs/dbraw/zinc/35/46/83/922354683.db2.gz PBPYXKSXAXJOAS-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001380358181 922354844 /nfs/dbraw/zinc/35/48/44/922354844.db2.gz OXRINOSDRJEBQP-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380375013 922355282 /nfs/dbraw/zinc/35/52/82/922355282.db2.gz DJGVTLQTWGYWIW-GXFFZTMASA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001380471307 922359379 /nfs/dbraw/zinc/35/93/79/922359379.db2.gz MQMOGKPEAJEDNF-CYBMUJFWSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001380471307 922359390 /nfs/dbraw/zinc/35/93/90/922359390.db2.gz MQMOGKPEAJEDNF-CYBMUJFWSA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCNC(=O)C2)CCC[N@@H+](CCO)C1 ZINC001380466495 922359644 /nfs/dbraw/zinc/35/96/44/922359644.db2.gz AFGJFXGJTQTXCZ-HNNXBMFYSA-N 1 1 312.414 -1.371 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380518392 922361527 /nfs/dbraw/zinc/36/15/27/922361527.db2.gz QASYIQNWTJBNQE-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001380519338 922361765 /nfs/dbraw/zinc/36/17/65/922361765.db2.gz VENLKTSWHMJWAV-AAEUAGOBSA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380514027 922362497 /nfs/dbraw/zinc/36/24/97/922362497.db2.gz GJRUVJXTQYPFDA-AWEZNQCLSA-N 1 1 319.369 -1.272 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380517212 922362765 /nfs/dbraw/zinc/36/27/65/922362765.db2.gz FJXPQZFLSHZPAR-ZDUSSCGKSA-N 1 1 310.358 -1.996 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380517212 922362785 /nfs/dbraw/zinc/36/27/85/922362785.db2.gz FJXPQZFLSHZPAR-ZDUSSCGKSA-N 1 1 310.358 -1.996 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001380516898 922363569 /nfs/dbraw/zinc/36/35/69/922363569.db2.gz DYELKJAEMXOSDD-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001380516898 922363578 /nfs/dbraw/zinc/36/35/78/922363578.db2.gz DYELKJAEMXOSDD-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001380516946 922364985 /nfs/dbraw/zinc/36/49/85/922364985.db2.gz XGIGDFHNSWEEBI-RNCFNFMXSA-N 1 1 314.342 -2.087 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001380516946 922365004 /nfs/dbraw/zinc/36/50/04/922365004.db2.gz XGIGDFHNSWEEBI-RNCFNFMXSA-N 1 1 314.342 -2.087 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CCC(O)CC2)C1 ZINC001380530844 922366275 /nfs/dbraw/zinc/36/62/75/922366275.db2.gz HBFUHLMHONOXIX-QOZQQMKHSA-N 1 1 313.398 -1.164 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CCC(O)CC2)C1 ZINC001380530844 922366285 /nfs/dbraw/zinc/36/62/85/922366285.db2.gz HBFUHLMHONOXIX-QOZQQMKHSA-N 1 1 313.398 -1.164 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001380519347 922366493 /nfs/dbraw/zinc/36/64/93/922366493.db2.gz VENLKTSWHMJWAV-WCQYABFASA-N 1 1 320.411 -1.380 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001380530366 922367042 /nfs/dbraw/zinc/36/70/42/922367042.db2.gz CTXJUCSOMDQHQA-CQSZACIVSA-N 1 1 324.385 -1.399 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001380530366 922367059 /nfs/dbraw/zinc/36/70/59/922367059.db2.gz CTXJUCSOMDQHQA-CQSZACIVSA-N 1 1 324.385 -1.399 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380521232 922367676 /nfs/dbraw/zinc/36/76/76/922367676.db2.gz MINYEKSKWBCNPN-RISCZKNCSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380521232 922367691 /nfs/dbraw/zinc/36/76/91/922367691.db2.gz MINYEKSKWBCNPN-RISCZKNCSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001380521662 922367855 /nfs/dbraw/zinc/36/78/55/922367855.db2.gz OTXHMNNSHZNLLP-QMTHXVAHSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CCC(O)CC2)C1 ZINC001380530839 922368406 /nfs/dbraw/zinc/36/84/06/922368406.db2.gz HBFUHLMHONOXIX-KOHJWAIASA-N 1 1 313.398 -1.164 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CCC(O)CC2)C1 ZINC001380530839 922368420 /nfs/dbraw/zinc/36/84/20/922368420.db2.gz HBFUHLMHONOXIX-KOHJWAIASA-N 1 1 313.398 -1.164 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001380519530 922368451 /nfs/dbraw/zinc/36/84/51/922368451.db2.gz JBAIFKNNRVRTBG-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001380519530 922368466 /nfs/dbraw/zinc/36/84/66/922368466.db2.gz JBAIFKNNRVRTBG-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001380530775 922368644 /nfs/dbraw/zinc/36/86/44/922368644.db2.gz GSOAATJGPYUCIE-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001380530775 922368657 /nfs/dbraw/zinc/36/86/57/922368657.db2.gz GSOAATJGPYUCIE-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380528335 922369033 /nfs/dbraw/zinc/36/90/33/922369033.db2.gz FPCWIPSAUDGRTA-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380528335 922369049 /nfs/dbraw/zinc/36/90/49/922369049.db2.gz FPCWIPSAUDGRTA-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525928 922369189 /nfs/dbraw/zinc/36/91/89/922369189.db2.gz HPLCICCBQHZYFN-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525928 922369204 /nfs/dbraw/zinc/36/92/04/922369204.db2.gz HPLCICCBQHZYFN-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)no1 ZINC001380530153 922369237 /nfs/dbraw/zinc/36/92/37/922369237.db2.gz IBFAWFQUDJYQFA-WFASDCNBSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)no1 ZINC001380530153 922369249 /nfs/dbraw/zinc/36/92/49/922369249.db2.gz IBFAWFQUDJYQFA-WFASDCNBSA-N 1 1 322.365 -1.033 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380528337 922369403 /nfs/dbraw/zinc/36/94/03/922369403.db2.gz FPCWIPSAUDGRTA-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001380528337 922369415 /nfs/dbraw/zinc/36/94/15/922369415.db2.gz FPCWIPSAUDGRTA-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001380528921 922370157 /nfs/dbraw/zinc/37/01/57/922370157.db2.gz BHTGCMDDLQOKTR-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380533157 922370782 /nfs/dbraw/zinc/37/07/82/922370782.db2.gz JAQWLODTLNHPTD-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380533157 922370796 /nfs/dbraw/zinc/37/07/96/922370796.db2.gz JAQWLODTLNHPTD-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001380532175 922370860 /nfs/dbraw/zinc/37/08/60/922370860.db2.gz JPEIWIUFNKGHMO-HZMBPMFUSA-N 1 1 324.385 -1.470 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001380532175 922370872 /nfs/dbraw/zinc/37/08/72/922370872.db2.gz JPEIWIUFNKGHMO-HZMBPMFUSA-N 1 1 324.385 -1.470 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001380532550 922371266 /nfs/dbraw/zinc/37/12/66/922371266.db2.gz HTEAUUGZSGNUFF-HNNXBMFYSA-N 1 1 323.397 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001380532550 922371275 /nfs/dbraw/zinc/37/12/75/922371275.db2.gz HTEAUUGZSGNUFF-HNNXBMFYSA-N 1 1 323.397 -1.430 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380532849 922371298 /nfs/dbraw/zinc/37/12/98/922371298.db2.gz JPWJNPQLFYLJRP-GWCFXTLKSA-N 1 1 323.357 -2.495 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380539595 922371508 /nfs/dbraw/zinc/37/15/08/922371508.db2.gz LRYALLVDWWPVFJ-LLVKDONJSA-N 1 1 309.388 -2.529 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380531873 922372213 /nfs/dbraw/zinc/37/22/13/922372213.db2.gz HPICXFWIQFJDEM-NSHDSACASA-N 1 1 309.388 -2.529 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2cncs2)C1 ZINC001380536740 922372667 /nfs/dbraw/zinc/37/26/67/922372667.db2.gz URHGNNSHZCKJPL-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2cncs2)C1 ZINC001380536740 922372679 /nfs/dbraw/zinc/37/26/79/922372679.db2.gz URHGNNSHZCKJPL-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001380533375 922373039 /nfs/dbraw/zinc/37/30/39/922373039.db2.gz DCFOICVGQIOZFB-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001380536851 922373074 /nfs/dbraw/zinc/37/30/74/922373074.db2.gz VIWMUIWZSPIDMV-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001380536851 922373085 /nfs/dbraw/zinc/37/30/85/922373085.db2.gz VIWMUIWZSPIDMV-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001380538044 922373666 /nfs/dbraw/zinc/37/36/66/922373666.db2.gz XZMNOKHYWSVJFY-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC001380538677 922373763 /nfs/dbraw/zinc/37/37/63/922373763.db2.gz YUCONDHFHLYGET-AWEZNQCLSA-N 1 1 307.354 -1.191 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC001380538677 922373774 /nfs/dbraw/zinc/37/37/74/922373774.db2.gz YUCONDHFHLYGET-AWEZNQCLSA-N 1 1 307.354 -1.191 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001380532066 922374279 /nfs/dbraw/zinc/37/42/79/922374279.db2.gz JIYBZVSIQXQPOQ-CQSZACIVSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001380532066 922374287 /nfs/dbraw/zinc/37/42/87/922374287.db2.gz JIYBZVSIQXQPOQ-CQSZACIVSA-N 1 1 301.387 -1.211 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380539115 922374905 /nfs/dbraw/zinc/37/49/05/922374905.db2.gz LTIALPJDYGAJJQ-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380539115 922374916 /nfs/dbraw/zinc/37/49/16/922374916.db2.gz LTIALPJDYGAJJQ-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3ccncc23)C1 ZINC001380533398 922375114 /nfs/dbraw/zinc/37/51/14/922375114.db2.gz JUYPQLQZMRXYDJ-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3ccncc23)C1 ZINC001380533398 922375130 /nfs/dbraw/zinc/37/51/30/922375130.db2.gz JUYPQLQZMRXYDJ-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380548121 922376138 /nfs/dbraw/zinc/37/61/38/922376138.db2.gz JPKHYEZTHPFJQH-JLNYLFASSA-N 1 1 321.381 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001380542210 922376495 /nfs/dbraw/zinc/37/64/95/922376495.db2.gz ZAZISEQTAVTHIA-AWEZNQCLSA-N 1 1 322.369 -1.806 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001380542210 922376514 /nfs/dbraw/zinc/37/65/14/922376514.db2.gz ZAZISEQTAVTHIA-AWEZNQCLSA-N 1 1 322.369 -1.806 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542157 922377446 /nfs/dbraw/zinc/37/74/46/922377446.db2.gz DJYWEVUCWQNJNF-FZMZJTMJSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542157 922377462 /nfs/dbraw/zinc/37/74/62/922377462.db2.gz DJYWEVUCWQNJNF-FZMZJTMJSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547559 922379058 /nfs/dbraw/zinc/37/90/58/922379058.db2.gz AGGFZMUWWXQGRT-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547559 922379072 /nfs/dbraw/zinc/37/90/72/922379072.db2.gz AGGFZMUWWXQGRT-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001380540912 922379449 /nfs/dbraw/zinc/37/94/49/922379449.db2.gz YTGZAJILOXOBMV-GWCFXTLKSA-N 1 1 324.341 -2.024 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001380540912 922379463 /nfs/dbraw/zinc/37/94/63/922379463.db2.gz YTGZAJILOXOBMV-GWCFXTLKSA-N 1 1 324.341 -2.024 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nc1 ZINC001380546919 922379487 /nfs/dbraw/zinc/37/94/87/922379487.db2.gz YWSSXPZDYURMCA-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nc1 ZINC001380546919 922379493 /nfs/dbraw/zinc/37/94/93/922379493.db2.gz YWSSXPZDYURMCA-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnn2ncccc12 ZINC001380542216 922379652 /nfs/dbraw/zinc/37/96/52/922379652.db2.gz ZCPZURSOJYIKKG-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001380547506 922379932 /nfs/dbraw/zinc/37/99/32/922379932.db2.gz ZUXAPQBZGDBOOC-ZYHUDNBSSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001380547506 922379951 /nfs/dbraw/zinc/37/99/51/922379951.db2.gz ZUXAPQBZGDBOOC-ZYHUDNBSSA-N 1 1 306.384 -2.034 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001380550750 922380548 /nfs/dbraw/zinc/38/05/48/922380548.db2.gz OMGSRFHITWRPSC-UONOGXRCSA-N 1 1 317.361 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001380550750 922380557 /nfs/dbraw/zinc/38/05/57/922380557.db2.gz OMGSRFHITWRPSC-UONOGXRCSA-N 1 1 317.361 -1.196 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001380550352 922380763 /nfs/dbraw/zinc/38/07/63/922380763.db2.gz ISKRWMCKWQULGY-NHYWBVRUSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380550739 922380996 /nfs/dbraw/zinc/38/09/96/922380996.db2.gz IGVPLVDEMHSJFA-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380550739 922381008 /nfs/dbraw/zinc/38/10/08/922381008.db2.gz IGVPLVDEMHSJFA-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553087 922381098 /nfs/dbraw/zinc/38/10/98/922381098.db2.gz LUUIPQIYEQNYHQ-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553087 922381112 /nfs/dbraw/zinc/38/11/12/922381112.db2.gz LUUIPQIYEQNYHQ-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001380552166 922382357 /nfs/dbraw/zinc/38/23/57/922382357.db2.gz LYBNMUDTVFPKTA-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001380552166 922382377 /nfs/dbraw/zinc/38/23/77/922382377.db2.gz LYBNMUDTVFPKTA-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001380550746 922382409 /nfs/dbraw/zinc/38/24/09/922382409.db2.gz OMGSRFHITWRPSC-KBPBESRZSA-N 1 1 317.361 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001380550746 922382419 /nfs/dbraw/zinc/38/24/19/922382419.db2.gz OMGSRFHITWRPSC-KBPBESRZSA-N 1 1 317.361 -1.196 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001380551838 922382747 /nfs/dbraw/zinc/38/27/47/922382747.db2.gz WPKXFBHAMXRONK-CQSZACIVSA-N 1 1 314.386 -1.663 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccnnc1 ZINC001380553826 922385048 /nfs/dbraw/zinc/38/50/48/922385048.db2.gz JVNGCLINHOTMRN-WFASDCNBSA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001380552689 922385088 /nfs/dbraw/zinc/38/50/88/922385088.db2.gz NJGIDOGQKYUDCP-SMDDNHRTSA-N 1 1 322.369 -1.740 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380557500 922385918 /nfs/dbraw/zinc/38/59/18/922385918.db2.gz JXCUKNWEIBJMBL-SMDDNHRTSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380557500 922385936 /nfs/dbraw/zinc/38/59/36/922385936.db2.gz JXCUKNWEIBJMBL-SMDDNHRTSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001380555096 922386768 /nfs/dbraw/zinc/38/67/68/922386768.db2.gz PLLAKWJSPHWPQF-AWEZNQCLSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380555883 922387483 /nfs/dbraw/zinc/38/74/83/922387483.db2.gz RNGPVPMWTPBFLZ-IINYFYTJSA-N 1 1 323.353 -1.283 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001380555792 922387561 /nfs/dbraw/zinc/38/75/61/922387561.db2.gz OIZVKRDSQNWSTR-ZYHUDNBSSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001380558214 922388858 /nfs/dbraw/zinc/38/88/58/922388858.db2.gz YNKLGCPRTYXRFJ-JSGCOSHPSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001380558214 922388869 /nfs/dbraw/zinc/38/88/69/922388869.db2.gz YNKLGCPRTYXRFJ-JSGCOSHPSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380557495 922389191 /nfs/dbraw/zinc/38/91/91/922389191.db2.gz JXCUKNWEIBJMBL-BXUZGUMPSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380557495 922389209 /nfs/dbraw/zinc/38/92/09/922389209.db2.gz JXCUKNWEIBJMBL-BXUZGUMPSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1nnnc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380555476 922389332 /nfs/dbraw/zinc/38/93/32/922389332.db2.gz PLXILEZXOOERGX-RISCZKNCSA-N 1 1 323.401 -1.643 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001380556171 922389630 /nfs/dbraw/zinc/38/96/30/922389630.db2.gz VVVFRKSJWFVXED-HZMBPMFUSA-N 1 1 301.387 -1.165 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558669 922390429 /nfs/dbraw/zinc/39/04/29/922390429.db2.gz UTZOYVQSYGVBSW-BXUZGUMPSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558669 922390445 /nfs/dbraw/zinc/39/04/45/922390445.db2.gz UTZOYVQSYGVBSW-BXUZGUMPSA-N 1 1 309.370 -1.128 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565499 922391176 /nfs/dbraw/zinc/39/11/76/922391176.db2.gz IHEYUSCHCQHWAW-NOZJJQNGSA-N 1 1 311.342 -1.191 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565499 922391191 /nfs/dbraw/zinc/39/11/91/922391191.db2.gz IHEYUSCHCQHWAW-NOZJJQNGSA-N 1 1 311.342 -1.191 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001380565016 922391374 /nfs/dbraw/zinc/39/13/74/922391374.db2.gz FPMSNWBDIBFWHI-FZMZJTMJSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1cccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1=O ZINC001380563482 922391688 /nfs/dbraw/zinc/39/16/88/922391688.db2.gz HCXYIXYQNHWPAV-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001380563482 922391698 /nfs/dbraw/zinc/39/16/98/922391698.db2.gz HCXYIXYQNHWPAV-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cccn2c(=O)[nH]nc12 ZINC001380569641 922392766 /nfs/dbraw/zinc/39/27/66/922392766.db2.gz XYWKWKCKSSUDQX-CQSZACIVSA-N 1 1 321.337 -1.406 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380568368 922392808 /nfs/dbraw/zinc/39/28/08/922392808.db2.gz CAKKUGHXCDNPSX-ZANVPECISA-N 1 1 313.358 -2.514 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380568368 922392818 /nfs/dbraw/zinc/39/28/18/922392818.db2.gz CAKKUGHXCDNPSX-ZANVPECISA-N 1 1 313.358 -2.514 20 0 DAADMO CC[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566086 922394172 /nfs/dbraw/zinc/39/41/72/922394172.db2.gz PGMIITBIRSYSOL-LRDDRELGSA-N 1 1 324.425 -1.101 20 0 DAADMO CCNC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380564754 922394544 /nfs/dbraw/zinc/39/45/44/922394544.db2.gz LPNRQDZDPRHJIZ-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CCNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380564754 922394552 /nfs/dbraw/zinc/39/45/52/922394552.db2.gz LPNRQDZDPRHJIZ-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)[C@@H]1CCCS1(=O)=O ZINC001380574523 922396492 /nfs/dbraw/zinc/39/64/92/922396492.db2.gz QIVVWPWQVCEZAI-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCCS1(=O)=O ZINC001380574523 922396503 /nfs/dbraw/zinc/39/65/03/922396503.db2.gz QIVVWPWQVCEZAI-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380575466 922398267 /nfs/dbraw/zinc/39/82/67/922398267.db2.gz VHRFLOHWMFEPOD-BXUZGUMPSA-N 1 1 324.385 -1.692 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001380578868 922398327 /nfs/dbraw/zinc/39/83/27/922398327.db2.gz YNPHLNQXNYDRIS-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO Cn1nncc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380575366 922398392 /nfs/dbraw/zinc/39/83/92/922398392.db2.gz SDARFRFBUPKWDX-IUODEOHRSA-N 1 1 322.413 -1.180 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001380575535 922398487 /nfs/dbraw/zinc/39/84/87/922398487.db2.gz HCDLLMLCDPICCT-IINYFYTJSA-N 1 1 324.385 -1.353 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001380575535 922398499 /nfs/dbraw/zinc/39/84/99/922398499.db2.gz HCDLLMLCDPICCT-IINYFYTJSA-N 1 1 324.385 -1.353 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001380576318 922399406 /nfs/dbraw/zinc/39/94/06/922399406.db2.gz UXBKLHPFEZXRKM-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO Cn1nncc1CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380575370 922399799 /nfs/dbraw/zinc/39/97/99/922399799.db2.gz SDARFRFBUPKWDX-WFASDCNBSA-N 1 1 322.413 -1.180 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001380575656 922401142 /nfs/dbraw/zinc/40/11/42/922401142.db2.gz SMSNRNSXDKGBJO-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3nnnn3C)C2)CC[N@H+]1C ZINC001380591666 922409139 /nfs/dbraw/zinc/40/91/39/922409139.db2.gz HATJADPEHKQLDU-GHMZBOCLSA-N 1 1 323.401 -1.787 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1cn[nH]c(=O)c1 ZINC001380597907 922411903 /nfs/dbraw/zinc/41/19/03/922411903.db2.gz FJSISZMUJFYNTM-JTQLQIEISA-N 1 1 308.338 -1.005 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@@H](C)C(=O)N(C)C)C1 ZINC001380604987 922417419 /nfs/dbraw/zinc/41/74/19/922417419.db2.gz GBFJZQUBAIQLRX-LBPRGKRZSA-N 1 1 323.397 -1.169 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001380619695 922422895 /nfs/dbraw/zinc/42/28/95/922422895.db2.gz WEBWIIWLVFJKII-AVGNSLFASA-N 1 1 324.425 -1.232 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001380643061 922430105 /nfs/dbraw/zinc/43/01/05/922430105.db2.gz PWUDXGJOIPSWKH-NSHDSACASA-N 1 1 308.386 -1.570 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380640751 922431119 /nfs/dbraw/zinc/43/11/19/922431119.db2.gz DWOZIDROYJEBAG-NEPJUHHUSA-N 1 1 301.387 -1.892 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(CC(=O)N3CCC3)C2)C1 ZINC001380640206 922431541 /nfs/dbraw/zinc/43/15/41/922431541.db2.gz GSECERKSKUVUSN-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001380659554 922434297 /nfs/dbraw/zinc/43/42/97/922434297.db2.gz MQNWDHANFYKNAY-TUAOUCFPSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001380687633 922436299 /nfs/dbraw/zinc/43/62/99/922436299.db2.gz XLZFUXNVDWVCSZ-CMPLNLGQSA-N 1 1 323.401 -1.128 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001380702310 922436713 /nfs/dbraw/zinc/43/67/13/922436713.db2.gz DMJQIRFUQKAZLG-LPEHRKFASA-N 1 1 320.353 -1.003 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C1 ZINC001380701532 922437475 /nfs/dbraw/zinc/43/74/75/922437475.db2.gz ASVQPTIARCTJQS-PHIMTYICSA-N 1 1 321.337 -1.198 20 0 DAADMO CO[C@@H](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001380698951 922437531 /nfs/dbraw/zinc/43/75/31/922437531.db2.gz FDVMFQNEOUIXMU-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664896 922437772 /nfs/dbraw/zinc/43/77/72/922437772.db2.gz UNUBAIDMCWALNP-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664896 922437780 /nfs/dbraw/zinc/43/77/80/922437780.db2.gz UNUBAIDMCWALNP-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)S(C)(=O)=O ZINC001380704511 922439864 /nfs/dbraw/zinc/43/98/64/922439864.db2.gz KWMJECTVLZCIRD-PHIMTYICSA-N 1 1 305.400 -1.740 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)N3CCCC3)C[C@H]2C1 ZINC001380706417 922440549 /nfs/dbraw/zinc/44/05/49/922440549.db2.gz RVPIAVKLASEESF-TXEJJXNPSA-N 1 1 323.397 -1.333 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001380706268 922441283 /nfs/dbraw/zinc/44/12/83/922441283.db2.gz XMZXAHPZPHJWIQ-GRYCIOLGSA-N 1 1 309.370 -1.174 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(=O)C3CC3)C[C@H]2C1 ZINC001380706483 922441474 /nfs/dbraw/zinc/44/14/74/922441474.db2.gz TUWUCIYNJIIJOC-BETUJISGSA-N 1 1 322.409 -1.009 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001380727889 922443045 /nfs/dbraw/zinc/44/30/45/922443045.db2.gz BXKPQFRGSSSONA-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733759 922445729 /nfs/dbraw/zinc/44/57/29/922445729.db2.gz ISWSMASNJKYFPM-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001380741776 922449073 /nfs/dbraw/zinc/44/90/73/922449073.db2.gz NSPNCNFYAXLXTE-ZWNOBZJWSA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1ccc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)cc1=O ZINC001380750394 922450656 /nfs/dbraw/zinc/45/06/56/922450656.db2.gz VLOUNIPTAGJCDQ-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001380759550 922451618 /nfs/dbraw/zinc/45/16/18/922451618.db2.gz BPYINQZMNXPKJS-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001380759550 922451624 /nfs/dbraw/zinc/45/16/24/922451624.db2.gz BPYINQZMNXPKJS-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cncnc1)c1nnnn1C ZINC001380762658 922451859 /nfs/dbraw/zinc/45/18/59/922451859.db2.gz GONSYEMHYPIPEN-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO Cn1ccc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)cc1=O ZINC001380750395 922451978 /nfs/dbraw/zinc/45/19/78/922451978.db2.gz VLOUNIPTAGJCDQ-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCOC1)c1nnnn1C ZINC001380770484 922453878 /nfs/dbraw/zinc/45/38/78/922453878.db2.gz WBDQTDOKNHNAOM-GHMZBOCLSA-N 1 1 312.374 -1.282 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)Cn2ncnn2)[nH]1 ZINC001380770488 922455042 /nfs/dbraw/zinc/45/50/42/922455042.db2.gz ZXQUCUXSTUNHMZ-VIFPVBQESA-N 1 1 323.361 -1.729 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CN2CCOCC2)CCC1 ZINC001380858427 922464850 /nfs/dbraw/zinc/46/48/50/922464850.db2.gz OZTAEZZSIGPTLS-UHFFFAOYSA-N 1 1 323.401 -1.329 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001380865779 922467801 /nfs/dbraw/zinc/46/78/01/922467801.db2.gz XCRNOBNNEJKAST-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 ZINC001380869864 922468295 /nfs/dbraw/zinc/46/82/95/922468295.db2.gz OAGFYYCKFUQECZ-JTQLQIEISA-N 1 1 321.385 -1.135 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001380904034 922470432 /nfs/dbraw/zinc/47/04/32/922470432.db2.gz OUBZSYDPWYSJAK-ZWNOBZJWSA-N 1 1 324.385 -1.343 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1=COCCO1 ZINC001380940952 922478063 /nfs/dbraw/zinc/47/80/63/922478063.db2.gz CRSJIONJXRQPEO-UHFFFAOYSA-N 1 1 314.342 -1.150 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001380921133 922478431 /nfs/dbraw/zinc/47/84/31/922478431.db2.gz VMXJGUTYQOPCAR-GFCCVEGCSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001380921133 922478443 /nfs/dbraw/zinc/47/84/43/922478443.db2.gz VMXJGUTYQOPCAR-GFCCVEGCSA-N 1 1 324.385 -1.310 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001380921767 922478976 /nfs/dbraw/zinc/47/89/76/922478976.db2.gz CRLUFMTVWWTOKU-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001380942522 922481752 /nfs/dbraw/zinc/48/17/52/922481752.db2.gz HEOZIAIMTKZJNX-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1nnc[nH]1 ZINC001380986086 922483568 /nfs/dbraw/zinc/48/35/68/922483568.db2.gz WMCQCKGAYOWDNI-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO O=C(C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1)NC1CC1 ZINC001381041802 922493393 /nfs/dbraw/zinc/49/33/93/922493393.db2.gz GTKIZMVEOBHGMM-CQSZACIVSA-N 1 1 322.369 -1.360 20 0 DAADMO CNC(=O)CN[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381055881 922495023 /nfs/dbraw/zinc/49/50/23/922495023.db2.gz PQAFOUSSDKCWEZ-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)CN[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001381055881 922495003 /nfs/dbraw/zinc/49/50/03/922495003.db2.gz PQAFOUSSDKCWEZ-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO CN1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001381076121 922496079 /nfs/dbraw/zinc/49/60/79/922496079.db2.gz CBLRQBJNLKCIIE-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001381076121 922496083 /nfs/dbraw/zinc/49/60/83/922496083.db2.gz CBLRQBJNLKCIIE-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CC[C@@H]([NH2+]CC2(NC(=O)c3cnn[nH]3)CCOCC2)C1=O ZINC001381064254 922497108 /nfs/dbraw/zinc/49/71/08/922497108.db2.gz XZLBKARYXMQUKE-SNVBAGLBSA-N 1 1 322.369 -1.096 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1)N1CCC1 ZINC001381062278 922497402 /nfs/dbraw/zinc/49/74/02/922497402.db2.gz MDGBLRZPZQGWJE-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001381096399 922498260 /nfs/dbraw/zinc/49/82/60/922498260.db2.gz KSZBOWKPUXZQCJ-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CCNC(=O)C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1 ZINC001381066815 922498427 /nfs/dbraw/zinc/49/84/27/922498427.db2.gz PTFNTXHJMXUVGK-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO CCNC(=O)C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1 ZINC001381066815 922498438 /nfs/dbraw/zinc/49/84/38/922498438.db2.gz PTFNTXHJMXUVGK-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO CNC(=O)C[NH2+]CC1(NC(=O)CCc2c[nH]nn2)CCOCC1 ZINC001381069513 922498530 /nfs/dbraw/zinc/49/85/30/922498530.db2.gz ZCXXWDFDRATNBI-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CNC(=O)C[NH2+]CC1(NC(=O)CCc2cnn[nH]2)CCOCC1 ZINC001381069513 922498537 /nfs/dbraw/zinc/49/85/37/922498537.db2.gz ZCXXWDFDRATNBI-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001381142950 922501830 /nfs/dbraw/zinc/50/18/30/922501830.db2.gz JRXITMUWKURIDW-OCCSQVGLSA-N 1 1 315.414 -1.143 20 0 DAADMO C[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001381109240 922502088 /nfs/dbraw/zinc/50/20/88/922502088.db2.gz OLHUEZJQJOQPRS-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)[C@@H](C)C1 ZINC001381099830 922502269 /nfs/dbraw/zinc/50/22/69/922502269.db2.gz YXTOMSHEFWGWEH-ONGXEEELSA-N 1 1 309.374 -1.319 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)CN(C)C(C)=O)CC2)C1 ZINC001381143854 922503573 /nfs/dbraw/zinc/50/35/73/922503573.db2.gz NQLSYCDCZYYDON-UHFFFAOYSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001381146237 922503856 /nfs/dbraw/zinc/50/38/56/922503856.db2.gz WYJJRANPTKNGKO-CQSZACIVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001381184409 922508367 /nfs/dbraw/zinc/50/83/67/922508367.db2.gz DJJQCAOSNYONTG-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001381222266 922511547 /nfs/dbraw/zinc/51/15/47/922511547.db2.gz ZRFUQOJYEJTOKM-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001381222266 922511555 /nfs/dbraw/zinc/51/15/55/922511555.db2.gz ZRFUQOJYEJTOKM-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)CC(N)=O)CC1 ZINC001381262695 922514210 /nfs/dbraw/zinc/51/42/10/922514210.db2.gz UTCSFTIHZOSRNR-SNVBAGLBSA-N 1 1 314.386 -1.813 20 0 DAADMO CCCNC(=O)CN1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 ZINC001381247695 922514543 /nfs/dbraw/zinc/51/45/43/922514543.db2.gz AWIZXUOSMWNCOX-UHFFFAOYSA-N 1 1 324.385 -1.112 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001381255025 922515023 /nfs/dbraw/zinc/51/50/23/922515023.db2.gz NFSUKFJCBQDHQR-PJXYFTJBSA-N 1 1 311.382 -1.432 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001381241278 922516111 /nfs/dbraw/zinc/51/61/11/922516111.db2.gz IEBBKMCFSVHHTA-SECBINFHSA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001381258233 922516396 /nfs/dbraw/zinc/51/63/96/922516396.db2.gz ODIXSIUTSUJSBW-SNVBAGLBSA-N 1 1 324.385 -1.446 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001381297971 922517093 /nfs/dbraw/zinc/51/70/93/922517093.db2.gz QBKOIUFLBVIHCO-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001381297971 922517103 /nfs/dbraw/zinc/51/71/03/922517103.db2.gz QBKOIUFLBVIHCO-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001381289981 922517442 /nfs/dbraw/zinc/51/74/42/922517442.db2.gz FDPKXICGXRBHHL-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001381294581 922517551 /nfs/dbraw/zinc/51/75/51/922517551.db2.gz FCSIINXHTPIFCY-BDAKNGLRSA-N 1 1 323.357 -1.076 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001381280708 922517718 /nfs/dbraw/zinc/51/77/18/922517718.db2.gz HZKKHKWUPJYUOB-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001381280708 922517725 /nfs/dbraw/zinc/51/77/25/922517725.db2.gz HZKKHKWUPJYUOB-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)C(=O)NC ZINC001381289973 922518211 /nfs/dbraw/zinc/51/82/11/922518211.db2.gz FDPKXICGXRBHHL-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290326 922518717 /nfs/dbraw/zinc/51/87/17/922518717.db2.gz CVNIFHMNUVBOKH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290326 922518725 /nfs/dbraw/zinc/51/87/25/922518725.db2.gz CVNIFHMNUVBOKH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290497 922519195 /nfs/dbraw/zinc/51/91/95/922519195.db2.gz DXDFETVGZNBDCO-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381364136 922522574 /nfs/dbraw/zinc/52/25/74/922522574.db2.gz PKJFXUGBLJQHBA-RKDXNWHRSA-N 1 1 312.378 -1.488 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)[NH2+]Cc1cnon1 ZINC001381447885 922528321 /nfs/dbraw/zinc/52/83/21/922528321.db2.gz VCZZTKVVOCXCKP-RKDXNWHRSA-N 1 1 324.341 -1.006 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001381495563 922529473 /nfs/dbraw/zinc/52/94/73/922529473.db2.gz QGXAWNUJPBASJI-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001381495563 922529478 /nfs/dbraw/zinc/52/94/78/922529478.db2.gz QGXAWNUJPBASJI-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001381511161 922529929 /nfs/dbraw/zinc/52/99/29/922529929.db2.gz WXMLNZTWUHZVHT-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001381517698 922530700 /nfs/dbraw/zinc/53/07/00/922530700.db2.gz OFMIXKWVPPPQQN-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001381517698 922530709 /nfs/dbraw/zinc/53/07/09/922530709.db2.gz OFMIXKWVPPPQQN-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001381528727 922534478 /nfs/dbraw/zinc/53/44/78/922534478.db2.gz ACEMDJWVLFDCIJ-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001381528727 922534488 /nfs/dbraw/zinc/53/44/88/922534488.db2.gz ACEMDJWVLFDCIJ-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001381536323 922534832 /nfs/dbraw/zinc/53/48/32/922534832.db2.gz UTLCGPVDRMZJSE-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001381536323 922534842 /nfs/dbraw/zinc/53/48/42/922534842.db2.gz UTLCGPVDRMZJSE-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001381536427 922534984 /nfs/dbraw/zinc/53/49/84/922534984.db2.gz VVGOCGVIZWSUOH-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001381536427 922535000 /nfs/dbraw/zinc/53/50/00/922535000.db2.gz VVGOCGVIZWSUOH-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001381537168 922535638 /nfs/dbraw/zinc/53/56/38/922535638.db2.gz ZWMHSFZPZZEEDM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001381537168 922535654 /nfs/dbraw/zinc/53/56/54/922535654.db2.gz ZWMHSFZPZZEEDM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001381566266 922535711 /nfs/dbraw/zinc/53/57/11/922535711.db2.gz RCQOYZKRHXGTHT-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001381566266 922535719 /nfs/dbraw/zinc/53/57/19/922535719.db2.gz RCQOYZKRHXGTHT-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCN1CCCC1=O ZINC001381572504 922535882 /nfs/dbraw/zinc/53/58/82/922535882.db2.gz KEZQWTFQTNINPB-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001381592176 922537287 /nfs/dbraw/zinc/53/72/87/922537287.db2.gz LWWNXGLDXLEMJP-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001381612480 922538128 /nfs/dbraw/zinc/53/81/28/922538128.db2.gz UBFFCGHIEPTFNY-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001381612480 922538142 /nfs/dbraw/zinc/53/81/42/922538142.db2.gz UBFFCGHIEPTFNY-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001381584680 922538330 /nfs/dbraw/zinc/53/83/30/922538330.db2.gz CVRIGZBYEHMCOJ-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001381585196 922538517 /nfs/dbraw/zinc/53/85/17/922538517.db2.gz DUMLLQHBYJNUIW-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001381585196 922538525 /nfs/dbraw/zinc/53/85/25/922538525.db2.gz DUMLLQHBYJNUIW-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO C[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)[N@@H+](C)CCO ZINC001381617560 922539294 /nfs/dbraw/zinc/53/92/94/922539294.db2.gz KYYPDWLXBFCKLX-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634521 922540289 /nfs/dbraw/zinc/54/02/89/922540289.db2.gz ZHEJNMQITKWOHM-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634521 922540296 /nfs/dbraw/zinc/54/02/96/922540296.db2.gz ZHEJNMQITKWOHM-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381643861 922541934 /nfs/dbraw/zinc/54/19/34/922541934.db2.gz KQDKWBIOAPDIIQ-QWRGUYRKSA-N 1 1 314.386 -1.219 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001381656884 922543288 /nfs/dbraw/zinc/54/32/88/922543288.db2.gz HGADOVBXXFHPAZ-UHFFFAOYSA-N 1 1 320.415 -1.997 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001381661240 922544826 /nfs/dbraw/zinc/54/48/26/922544826.db2.gz IRYKMBKUIOPSPW-GFCCVEGCSA-N 1 1 312.414 -1.101 20 0 DAADMO CCCC[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001381752988 922550842 /nfs/dbraw/zinc/55/08/42/922550842.db2.gz UHMFQGALDJUHEW-ZJUUUORDSA-N 1 1 324.389 -1.344 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001381770193 922551229 /nfs/dbraw/zinc/55/12/29/922551229.db2.gz FTDNFJBNXANJMY-ZJUUUORDSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H](NC(=O)CCn1cnccc1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381812638 922554431 /nfs/dbraw/zinc/55/44/31/922554431.db2.gz MWEQBXOBPLSFEB-MNOVXSKESA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381789801 922554902 /nfs/dbraw/zinc/55/49/02/922554902.db2.gz JQZJAGUWQWKZFG-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](NC(=O)CCn1cnccc1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381812636 922555560 /nfs/dbraw/zinc/55/55/60/922555560.db2.gz MWEQBXOBPLSFEB-GHMZBOCLSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001381779643 922555792 /nfs/dbraw/zinc/55/57/92/922555792.db2.gz SOVYAOWBEXTIQE-DTWKUNHWSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381778743 922556291 /nfs/dbraw/zinc/55/62/91/922556291.db2.gz OVQUFZDVOXAWNK-GXSJLCMTSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001381832904 922557381 /nfs/dbraw/zinc/55/73/81/922557381.db2.gz YELBZNRZCIEHKD-BDAKNGLRSA-N 1 1 320.415 -1.893 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001381838032 922557706 /nfs/dbraw/zinc/55/77/06/922557706.db2.gz INJYGIGLHYPVMG-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001381842097 922557775 /nfs/dbraw/zinc/55/77/75/922557775.db2.gz BXHAECDMBDGXMS-LBPRGKRZSA-N 1 1 305.400 -1.141 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001381871668 922559757 /nfs/dbraw/zinc/55/97/57/922559757.db2.gz QBNNYOUQLVHSST-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001381855109 922560820 /nfs/dbraw/zinc/56/08/20/922560820.db2.gz PZMXNENITCYBQJ-NSHDSACASA-N 1 1 314.386 -1.942 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001381863540 922561262 /nfs/dbraw/zinc/56/12/62/922561262.db2.gz GOWRHPGYWKTSDG-CNDDSTCGSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001381866514 922561801 /nfs/dbraw/zinc/56/18/01/922561801.db2.gz BIWDTDQGRGGLGF-VHSXEESVSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)CC1(C)C ZINC001381857351 922562177 /nfs/dbraw/zinc/56/21/77/922562177.db2.gz ZLNGBKWCHKEXNM-WDEREUQCSA-N 1 1 316.402 -1.251 20 0 DAADMO O=C(CCc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001381885724 922563908 /nfs/dbraw/zinc/56/39/08/922563908.db2.gz TWPIBSYXAISXHX-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001381885724 922563920 /nfs/dbraw/zinc/56/39/20/922563920.db2.gz TWPIBSYXAISXHX-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001381885724 922563935 /nfs/dbraw/zinc/56/39/35/922563935.db2.gz TWPIBSYXAISXHX-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001381894750 922564419 /nfs/dbraw/zinc/56/44/19/922564419.db2.gz LTQUXCGIRAEYKQ-FIQHERPVSA-N 1 1 309.370 -1.270 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001381896716 922564722 /nfs/dbraw/zinc/56/47/22/922564722.db2.gz QELWWEBYAYCHCX-OWUUHHOZSA-N 1 1 318.399 -2.295 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001381908415 922566903 /nfs/dbraw/zinc/56/69/03/922566903.db2.gz BKRGYODWGWILHJ-WISYIIOYSA-N 1 1 323.397 -1.514 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3n[nH]cc3F)[C@@H]2C1 ZINC001381912586 922567593 /nfs/dbraw/zinc/56/75/93/922567593.db2.gz HQYLHDWKTIKZJE-WHUPJOBBSA-N 1 1 324.316 -1.349 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001381908418 922567644 /nfs/dbraw/zinc/56/76/44/922567644.db2.gz BKRGYODWGWILHJ-YFKTTZPYSA-N 1 1 323.397 -1.514 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001381929647 922568786 /nfs/dbraw/zinc/56/87/86/922568786.db2.gz OYWLBCWKAHMUTJ-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001381929647 922568800 /nfs/dbraw/zinc/56/88/00/922568800.db2.gz OYWLBCWKAHMUTJ-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001381936330 922569188 /nfs/dbraw/zinc/56/91/88/922569188.db2.gz ZVYQFKJSQDQVRT-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937275 922569329 /nfs/dbraw/zinc/56/93/29/922569329.db2.gz ZLGMZFVDDAMYEY-KKOKHZNYSA-N 1 1 323.397 -1.573 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937275 922569342 /nfs/dbraw/zinc/56/93/42/922569342.db2.gz ZLGMZFVDDAMYEY-KKOKHZNYSA-N 1 1 323.397 -1.573 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001381936325 922569994 /nfs/dbraw/zinc/56/99/94/922569994.db2.gz ZVYQFKJSQDQVRT-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937273 922570476 /nfs/dbraw/zinc/57/04/76/922570476.db2.gz ZLGMZFVDDAMYEY-FIQHERPVSA-N 1 1 323.397 -1.573 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001381937273 922570487 /nfs/dbraw/zinc/57/04/87/922570487.db2.gz ZLGMZFVDDAMYEY-FIQHERPVSA-N 1 1 323.397 -1.573 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001381971070 922573414 /nfs/dbraw/zinc/57/34/14/922573414.db2.gz NGTHDICNWUPDKS-GFCCVEGCSA-N 1 1 322.427 -1.039 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001382010992 922575321 /nfs/dbraw/zinc/57/53/21/922575321.db2.gz UBIKRUAEYVGUBG-LBPRGKRZSA-N 1 1 319.373 -1.172 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001381980631 922576645 /nfs/dbraw/zinc/57/66/45/922576645.db2.gz FHDCORNOHVZOOF-UHFFFAOYSA-N 1 1 322.431 -1.655 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001381985835 922576874 /nfs/dbraw/zinc/57/68/74/922576874.db2.gz MKXLKXWHAVPQHF-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001381985211 922577022 /nfs/dbraw/zinc/57/70/22/922577022.db2.gz HZHPTMHGWIREPI-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001382107736 922582194 /nfs/dbraw/zinc/58/21/94/922582194.db2.gz PSHPBFGDAJDRNW-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001382131422 922585672 /nfs/dbraw/zinc/58/56/72/922585672.db2.gz CANXMPMICRGCHE-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001382122073 922586172 /nfs/dbraw/zinc/58/61/72/922586172.db2.gz MWIWVGRXHMUVKI-OUAUKWLOSA-N 1 1 324.385 -1.216 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001382131419 922587263 /nfs/dbraw/zinc/58/72/63/922587263.db2.gz CANXMPMICRGCHE-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001382134999 922587586 /nfs/dbraw/zinc/58/75/86/922587586.db2.gz PNVISKKYQVUMHD-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001382155622 922590106 /nfs/dbraw/zinc/59/01/06/922590106.db2.gz TXHIESSSXZMMRX-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CCn2cncn2)n1 ZINC001382176129 922594410 /nfs/dbraw/zinc/59/44/10/922594410.db2.gz KGUIILZWXJSZCD-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001382180068 922597819 /nfs/dbraw/zinc/59/78/19/922597819.db2.gz MBQLNAYVQCSBOO-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)cn1 ZINC001382184253 922601372 /nfs/dbraw/zinc/60/13/72/922601372.db2.gz DWUCPOQOMZVAMJ-LLVKDONJSA-N 1 1 316.383 -1.604 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001382189252 922605496 /nfs/dbraw/zinc/60/54/96/922605496.db2.gz NKXOQCSGLKUMEU-MRVPVSSYSA-N 1 1 307.397 -1.246 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nccnc2C)C1 ZINC001382199630 922610235 /nfs/dbraw/zinc/61/02/35/922610235.db2.gz MSMJDOKGQNSYHI-CYBMUJFWSA-N 1 1 321.381 -1.170 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O)c1ncccc1O ZINC001382203075 922615528 /nfs/dbraw/zinc/61/55/28/922615528.db2.gz ZCMWTTMYCZQABL-UWVGGRQHSA-N 1 1 308.338 -1.254 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001382212367 922621790 /nfs/dbraw/zinc/62/17/90/922621790.db2.gz PDUJJGQQCYWPGA-CYBMUJFWSA-N 1 1 319.365 -1.001 20 0 DAADMO NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001382212201 922622305 /nfs/dbraw/zinc/62/23/05/922622305.db2.gz NQZOGHOQRCTGKN-WCQYABFASA-N 1 1 312.414 -1.055 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001382217720 922624644 /nfs/dbraw/zinc/62/46/44/922624644.db2.gz XDKGBUYMNYZRET-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001382226584 922627526 /nfs/dbraw/zinc/62/75/26/922627526.db2.gz HWVDYSNVZZJZBC-DTWKUNHWSA-N 1 1 307.372 -2.637 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C ZINC001382234080 922630680 /nfs/dbraw/zinc/63/06/80/922630680.db2.gz JBSPZFYRWMUSTA-LLVKDONJSA-N 1 1 302.419 -1.081 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001382234664 922633324 /nfs/dbraw/zinc/63/33/24/922633324.db2.gz KRWWSPJCIFRJQJ-GXSJLCMTSA-N 1 1 311.342 -1.515 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)o1 ZINC001382234637 922633835 /nfs/dbraw/zinc/63/38/35/922633835.db2.gz JGOYPKLDNZAMOP-VIFPVBQESA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001382234913 922634005 /nfs/dbraw/zinc/63/40/05/922634005.db2.gz LAYRYOOALQJMAE-VHSXEESVSA-N 1 1 311.342 -1.460 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382235559 922634815 /nfs/dbraw/zinc/63/48/15/922634815.db2.gz KMQZLZFGWJLMIV-XEZLXBQYSA-N 1 1 309.370 -1.243 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382237960 922635849 /nfs/dbraw/zinc/63/58/49/922635849.db2.gz DYRDGGFYCNGKGM-LLVKDONJSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1CNC(=O)N1 ZINC001382239230 922638820 /nfs/dbraw/zinc/63/88/20/922638820.db2.gz UBOHIMQEHKPLGW-CMPLNLGQSA-N 1 1 322.369 -1.923 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382250860 922644815 /nfs/dbraw/zinc/64/48/15/922644815.db2.gz OHZPTOUKLVAIKY-MXWKQRLJSA-N 1 1 310.354 -1.020 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)on1 ZINC001382254821 922645166 /nfs/dbraw/zinc/64/51/66/922645166.db2.gz ZXXQEAHLFBMNQX-GXSJLCMTSA-N 1 1 311.342 -1.427 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)CCn1cnnn1)c1cnccn1 ZINC001382256436 922645351 /nfs/dbraw/zinc/64/53/51/922645351.db2.gz UAVWKPIPMYRYFE-WDEREUQCSA-N 1 1 320.357 -1.319 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001382260455 922647561 /nfs/dbraw/zinc/64/75/61/922647561.db2.gz YEBXPWSHQUGQIY-VIFPVBQESA-N 1 1 323.357 -1.382 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001382260452 922648559 /nfs/dbraw/zinc/64/85/59/922648559.db2.gz YEBXPWSHQUGQIY-SECBINFHSA-N 1 1 323.357 -1.382 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001382259911 922648653 /nfs/dbraw/zinc/64/86/53/922648653.db2.gz UAVFGBWZJQJPGK-SNVBAGLBSA-N 1 1 321.341 -1.587 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001382259129 922648951 /nfs/dbraw/zinc/64/89/51/922648951.db2.gz YRNNMNNJQOQYGA-NSHDSACASA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1nncc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268243 922652048 /nfs/dbraw/zinc/65/20/48/922652048.db2.gz UMTOJLGFENNAMW-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382266707 922653300 /nfs/dbraw/zinc/65/33/00/922653300.db2.gz MGOODYQIENMHPF-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382266707 922653309 /nfs/dbraw/zinc/65/33/09/922653309.db2.gz MGOODYQIENMHPF-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270820 922654938 /nfs/dbraw/zinc/65/49/38/922654938.db2.gz CSYOLPQUSPDGTL-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270820 922654953 /nfs/dbraw/zinc/65/49/53/922654953.db2.gz CSYOLPQUSPDGTL-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382268495 922655582 /nfs/dbraw/zinc/65/55/82/922655582.db2.gz XGWJXYSVKQWMCI-RYUDHWBXSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268495 922655593 /nfs/dbraw/zinc/65/55/93/922655593.db2.gz XGWJXYSVKQWMCI-RYUDHWBXSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382268496 922657026 /nfs/dbraw/zinc/65/70/26/922657026.db2.gz XGWJXYSVKQWMCI-VXGBXAGGSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268496 922657034 /nfs/dbraw/zinc/65/70/34/922657034.db2.gz XGWJXYSVKQWMCI-VXGBXAGGSA-N 1 1 300.403 -1.517 20 0 DAADMO CCn1ncc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382274913 922659016 /nfs/dbraw/zinc/65/90/16/922659016.db2.gz QHULOYBRSKEAHO-DGCLKSJQSA-N 1 1 310.402 -1.184 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273620 922659688 /nfs/dbraw/zinc/65/96/88/922659688.db2.gz LRXSJPFGTPOAAU-NWDGAFQWSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273620 922659692 /nfs/dbraw/zinc/65/96/92/922659692.db2.gz LRXSJPFGTPOAAU-NWDGAFQWSA-N 1 1 314.430 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(F)F)C1 ZINC001382276528 922661638 /nfs/dbraw/zinc/66/16/38/922661638.db2.gz SAAXNMJKNYLYMJ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(F)F)C1 ZINC001382276528 922661652 /nfs/dbraw/zinc/66/16/52/922661652.db2.gz SAAXNMJKNYLYMJ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001382278102 922662282 /nfs/dbraw/zinc/66/22/82/922662282.db2.gz BKAYLIVZVWBXLW-GFCCVEGCSA-N 1 1 300.403 -1.325 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382275446 922662524 /nfs/dbraw/zinc/66/25/24/922662524.db2.gz SYTOIRGZQWQVFP-VXGBXAGGSA-N 1 1 300.403 -1.517 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275446 922662531 /nfs/dbraw/zinc/66/25/31/922662531.db2.gz SYTOIRGZQWQVFP-VXGBXAGGSA-N 1 1 300.403 -1.517 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001382278107 922662655 /nfs/dbraw/zinc/66/26/55/922662655.db2.gz BKAYLIVZVWBXLW-LBPRGKRZSA-N 1 1 300.403 -1.325 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)nn1 ZINC001382282472 922664178 /nfs/dbraw/zinc/66/41/78/922664178.db2.gz JRDLKEULIKSQGO-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)Cn2ccnc2)n1 ZINC001382286220 922669720 /nfs/dbraw/zinc/66/97/20/922669720.db2.gz LNSCKWHVMXZKFI-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001382288807 922669997 /nfs/dbraw/zinc/66/99/97/922669997.db2.gz CGJPMPXIMJGEMN-LLVKDONJSA-N 1 1 315.370 -1.192 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001382291057 922671394 /nfs/dbraw/zinc/67/13/94/922671394.db2.gz OCAMGQFHGZTXJS-LLVKDONJSA-N 1 1 315.370 -1.190 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H]1C ZINC001382297085 922671493 /nfs/dbraw/zinc/67/14/93/922671493.db2.gz GSAWOMZIEICTLY-GXSJLCMTSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001382291058 922672976 /nfs/dbraw/zinc/67/29/76/922672976.db2.gz OCAMGQFHGZTXJS-NSHDSACASA-N 1 1 315.370 -1.190 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001382311538 922677903 /nfs/dbraw/zinc/67/79/03/922677903.db2.gz PBBKPOAXQVWRGC-KGYLQXTDSA-N 1 1 323.397 -1.033 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001382311541 922678773 /nfs/dbraw/zinc/67/87/73/922678773.db2.gz PBBKPOAXQVWRGC-RAIGVLPGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cncn1 ZINC001382316741 922681406 /nfs/dbraw/zinc/68/14/06/922681406.db2.gz NXZXUPUTNZLLCQ-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001382332245 922687271 /nfs/dbraw/zinc/68/72/71/922687271.db2.gz PPRGYPOIJUFBOJ-DYEKYZERSA-N 1 1 324.385 -1.206 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001382332247 922687470 /nfs/dbraw/zinc/68/74/70/922687470.db2.gz PPRGYPOIJUFBOJ-MBNYWOFBSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001382333369 922688976 /nfs/dbraw/zinc/68/89/76/922688976.db2.gz OCTQFBBVINYNDU-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCCS(N)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001382336914 922690121 /nfs/dbraw/zinc/69/01/21/922690121.db2.gz LZHYJQJPEDOQTC-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCCS(N)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001382336914 922690129 /nfs/dbraw/zinc/69/01/29/922690129.db2.gz LZHYJQJPEDOQTC-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001382348620 922692379 /nfs/dbraw/zinc/69/23/79/922692379.db2.gz QUDBOUFFGFWVBS-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001382357636 922695251 /nfs/dbraw/zinc/69/52/51/922695251.db2.gz LQDRGBDURYSIQD-QWRGUYRKSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001382371477 922702693 /nfs/dbraw/zinc/70/26/93/922702693.db2.gz QNUKGHQCBQCXHP-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369581 922702821 /nfs/dbraw/zinc/70/28/21/922702821.db2.gz GHISMTROUGGRHW-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369581 922702833 /nfs/dbraw/zinc/70/28/33/922702833.db2.gz GHISMTROUGGRHW-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C1CCOCC1 ZINC001382379428 922706619 /nfs/dbraw/zinc/70/66/19/922706619.db2.gz XPFCWMJDURIPQR-GFCCVEGCSA-N 1 1 312.374 -1.047 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCNC2=O)n[nH]1 ZINC001382385262 922710424 /nfs/dbraw/zinc/71/04/24/922710424.db2.gz HAVNIUJUJRFYCT-WDEREUQCSA-N 1 1 309.370 -1.117 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001382396149 922717792 /nfs/dbraw/zinc/71/77/92/922717792.db2.gz YVOWKHYSWDPVSU-QWRGUYRKSA-N 1 1 323.353 -1.198 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)NC1 ZINC001382398800 922719111 /nfs/dbraw/zinc/71/91/11/922719111.db2.gz GCLURKMNHNQLQW-ONGXEEELSA-N 1 1 311.342 -1.495 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C2=CCOCC2)C1 ZINC001382399677 922720467 /nfs/dbraw/zinc/72/04/67/922720467.db2.gz GMFIEKGICCACBI-CHWSQXEVSA-N 1 1 311.382 -1.122 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C2=CCOCC2)C1 ZINC001382399678 922720757 /nfs/dbraw/zinc/72/07/57/922720757.db2.gz GMFIEKGICCACBI-OLZOCXBDSA-N 1 1 311.382 -1.122 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn(C)cn1 ZINC001382402693 922722317 /nfs/dbraw/zinc/72/23/17/922722317.db2.gz RFKHLQBGOSALON-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382401259 922722916 /nfs/dbraw/zinc/72/29/16/922722916.db2.gz MXRXROMJIDWDKV-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn(C)cn1 ZINC001382402694 922724169 /nfs/dbraw/zinc/72/41/69/922724169.db2.gz RFKHLQBGOSALON-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382405166 922725822 /nfs/dbraw/zinc/72/58/22/922725822.db2.gz WGMDMUXTWOPVID-VIFPVBQESA-N 1 1 322.373 -1.282 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ccn(C)n1 ZINC001382414536 922735214 /nfs/dbraw/zinc/73/52/14/922735214.db2.gz SHIVUBYXJRSMMQ-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001382417498 922736935 /nfs/dbraw/zinc/73/69/35/922736935.db2.gz MRDJZUNKSCLKQE-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]1(C)CCOC1 ZINC001382422249 922740940 /nfs/dbraw/zinc/74/09/40/922740940.db2.gz BLXCVIAJTXRCRW-GXFFZTMASA-N 1 1 312.374 -1.454 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)nc1 ZINC001382424144 922740976 /nfs/dbraw/zinc/74/09/76/922740976.db2.gz JYHIGNOMLLAKLR-UTUOFQBUSA-N 1 1 321.381 -1.185 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001382424125 922742487 /nfs/dbraw/zinc/74/24/87/922742487.db2.gz JMTIGQMAJJEFBO-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001382424125 922742499 /nfs/dbraw/zinc/74/24/99/922742499.db2.gz JMTIGQMAJJEFBO-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn[nH]c(=O)c1 ZINC001382421406 922742595 /nfs/dbraw/zinc/74/25/95/922742595.db2.gz WEVWQMAMBMQLRW-JTQLQIEISA-N 1 1 308.298 -1.212 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]1(C)CCOC1 ZINC001382422254 922742657 /nfs/dbraw/zinc/74/26/57/922742657.db2.gz BLXCVIAJTXRCRW-ZWNOBZJWSA-N 1 1 312.374 -1.454 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CCC1 ZINC001382428248 922744682 /nfs/dbraw/zinc/74/46/82/922744682.db2.gz DWRGEKPVGKIUJC-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CCC1 ZINC001382428248 922744691 /nfs/dbraw/zinc/74/46/91/922744691.db2.gz DWRGEKPVGKIUJC-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001382430489 922747081 /nfs/dbraw/zinc/74/70/81/922747081.db2.gz KHJQUVFMMMCQHP-JTQLQIEISA-N 1 1 300.359 -1.397 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001382430489 922747093 /nfs/dbraw/zinc/74/70/93/922747093.db2.gz KHJQUVFMMMCQHP-JTQLQIEISA-N 1 1 300.359 -1.397 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001382435350 922747831 /nfs/dbraw/zinc/74/78/31/922747831.db2.gz HRXVCPRVEYUTNL-SNVBAGLBSA-N 1 1 309.330 -1.421 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC1 ZINC001382436886 922751787 /nfs/dbraw/zinc/75/17/87/922751787.db2.gz CTWTXCFGBJOVGW-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC1 ZINC001382436886 922751798 /nfs/dbraw/zinc/75/17/98/922751798.db2.gz CTWTXCFGBJOVGW-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cccnn2)C1 ZINC001382438137 922752020 /nfs/dbraw/zinc/75/20/20/922752020.db2.gz DQWKRFNFBFMNAU-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cn[nH]c2)C1 ZINC001382437843 922752596 /nfs/dbraw/zinc/75/25/96/922752596.db2.gz KJBXHNPSBCHINX-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cn1cnnn1 ZINC001382436681 922752630 /nfs/dbraw/zinc/75/26/30/922752630.db2.gz HMQVPQIEDHMGGY-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cn[nH]c2)C1 ZINC001382438637 922752679 /nfs/dbraw/zinc/75/26/79/922752679.db2.gz KJBXHNPSBCHINX-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccn(C)n1 ZINC001382437985 922752909 /nfs/dbraw/zinc/75/29/09/922752909.db2.gz DBPAHVUNWVNFAP-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO Cn1ccc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382439195 922753200 /nfs/dbraw/zinc/75/32/00/922753200.db2.gz FCYBGZPVLWZDFJ-YPMHNXCESA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cn[nH]c2)C1 ZINC001382437841 922753393 /nfs/dbraw/zinc/75/33/93/922753393.db2.gz KJBXHNPSBCHINX-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001382443708 922755089 /nfs/dbraw/zinc/75/50/89/922755089.db2.gz DOGHVPHVRUPTPP-LBPRGKRZSA-N 1 1 311.386 -1.311 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001382443708 922755101 /nfs/dbraw/zinc/75/51/01/922755101.db2.gz DOGHVPHVRUPTPP-LBPRGKRZSA-N 1 1 311.386 -1.311 20 0 DAADMO Cc1oncc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382441608 922755162 /nfs/dbraw/zinc/75/51/62/922755162.db2.gz PAICEIARUOQJSF-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1oncc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382441608 922755178 /nfs/dbraw/zinc/75/51/78/922755178.db2.gz PAICEIARUOQJSF-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNCc1nnnn1C ZINC001382440616 922755221 /nfs/dbraw/zinc/75/52/21/922755221.db2.gz IHCVOPQYWLZKCH-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO Cc1nccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382441043 922755385 /nfs/dbraw/zinc/75/53/85/922755385.db2.gz QAVKSUVIYQUYEE-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382443893 922755605 /nfs/dbraw/zinc/75/56/05/922755605.db2.gz OTGUOARJOWLDSQ-VHSXEESVSA-N 1 1 316.358 -2.113 20 0 DAADMO COC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382443888 922755635 /nfs/dbraw/zinc/75/56/35/922755635.db2.gz OTGUOARJOWLDSQ-UWVGGRQHSA-N 1 1 316.358 -2.113 20 0 DAADMO COC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382443899 922756756 /nfs/dbraw/zinc/75/67/56/922756756.db2.gz OTGUOARJOWLDSQ-ZJUUUORDSA-N 1 1 316.358 -2.113 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001382444725 922758216 /nfs/dbraw/zinc/75/82/16/922758216.db2.gz VVIUGIDVLJNNAX-GHMZBOCLSA-N 1 1 315.370 -1.110 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001382447432 922758246 /nfs/dbraw/zinc/75/82/46/922758246.db2.gz RQWPTHCUTJHVFZ-NWDGAFQWSA-N 1 1 316.402 -1.202 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001382445533 922758355 /nfs/dbraw/zinc/75/83/55/922758355.db2.gz YGWJWICWFGWVND-MWLCHTKSSA-N 1 1 323.353 -1.565 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001382447430 922759193 /nfs/dbraw/zinc/75/91/93/922759193.db2.gz RQWPTHCUTJHVFZ-NEPJUHHUSA-N 1 1 316.402 -1.202 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ccncn1 ZINC001382444251 922760591 /nfs/dbraw/zinc/76/05/91/922760591.db2.gz WPPHWETWOIPFKH-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)nnn1C ZINC001382448115 922761151 /nfs/dbraw/zinc/76/11/51/922761151.db2.gz AIYKIFKWAIKWCI-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448694 922763021 /nfs/dbraw/zinc/76/30/21/922763021.db2.gz GMUYHISKXXSMEH-ONGXEEELSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448694 922763034 /nfs/dbraw/zinc/76/30/34/922763034.db2.gz GMUYHISKXXSMEH-ONGXEEELSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448687 922763087 /nfs/dbraw/zinc/76/30/87/922763087.db2.gz GMUYHISKXXSMEH-KOLCDFICSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448687 922763105 /nfs/dbraw/zinc/76/31/05/922763105.db2.gz GMUYHISKXXSMEH-KOLCDFICSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001382450013 922763135 /nfs/dbraw/zinc/76/31/35/922763135.db2.gz CDWJWIKVEGGFIV-ZJUUUORDSA-N 1 1 314.386 -1.022 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001382450013 922763151 /nfs/dbraw/zinc/76/31/51/922763151.db2.gz CDWJWIKVEGGFIV-ZJUUUORDSA-N 1 1 314.386 -1.022 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382449040 922763348 /nfs/dbraw/zinc/76/33/48/922763348.db2.gz YRSJPGVPQGORDN-QJPTWQEYSA-N 1 1 317.386 -1.977 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001382448827 922763608 /nfs/dbraw/zinc/76/36/08/922763608.db2.gz YDLCCRXHVGVLOC-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001382448827 922763620 /nfs/dbraw/zinc/76/36/20/922763620.db2.gz YDLCCRXHVGVLOC-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382460444 922765093 /nfs/dbraw/zinc/76/50/93/922765093.db2.gz IEQGYQWYTVPSTF-JHJVBQTASA-N 1 1 314.430 -1.176 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382458956 922765394 /nfs/dbraw/zinc/76/53/94/922765394.db2.gz QTWVJAYCHFJIIY-RKDXNWHRSA-N 1 1 302.331 -2.408 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382458956 922765407 /nfs/dbraw/zinc/76/54/07/922765407.db2.gz QTWVJAYCHFJIIY-RKDXNWHRSA-N 1 1 302.331 -2.408 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2[nH]cnc2c1 ZINC001382461459 922766608 /nfs/dbraw/zinc/76/66/08/922766608.db2.gz OHLPAAAILPLYGA-JTQLQIEISA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2[nH]cnc2c1 ZINC001382461459 922766617 /nfs/dbraw/zinc/76/66/17/922766617.db2.gz OHLPAAAILPLYGA-JTQLQIEISA-N 1 1 320.353 -1.192 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001382460328 922766869 /nfs/dbraw/zinc/76/68/69/922766869.db2.gz JGPZZBKLIMNRGK-LBPRGKRZSA-N 1 1 317.386 -1.757 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(=O)NC ZINC001382460161 922767305 /nfs/dbraw/zinc/76/73/05/922767305.db2.gz GUDLVVHDCUNRJL-JTQLQIEISA-N 1 1 317.390 -2.197 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(=O)NC ZINC001382460161 922767321 /nfs/dbraw/zinc/76/73/21/922767321.db2.gz GUDLVVHDCUNRJL-JTQLQIEISA-N 1 1 317.390 -2.197 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001382466139 922768554 /nfs/dbraw/zinc/76/85/54/922768554.db2.gz FLELQGBFTPGCKJ-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001382466135 922769759 /nfs/dbraw/zinc/76/97/59/922769759.db2.gz FLELQGBFTPGCKJ-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001382463656 922770713 /nfs/dbraw/zinc/77/07/13/922770713.db2.gz QNFVWNMHASYOTC-JQWIXIFHSA-N 1 1 322.369 -1.130 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001382462375 922770743 /nfs/dbraw/zinc/77/07/43/922770743.db2.gz VKYCHFMDUXNWKX-LBPRGKRZSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001382462375 922770753 /nfs/dbraw/zinc/77/07/53/922770753.db2.gz VKYCHFMDUXNWKX-LBPRGKRZSA-N 1 1 309.370 -1.071 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001382465875 922770859 /nfs/dbraw/zinc/77/08/59/922770859.db2.gz RTCLKOHCVXWYDP-GHMZBOCLSA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)CC[N@H+]1C ZINC001382464504 922771599 /nfs/dbraw/zinc/77/15/99/922771599.db2.gz RXAQUILABBRIGH-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001382472939 922772187 /nfs/dbraw/zinc/77/21/87/922772187.db2.gz UAFNEBITXWMFKR-RYUDHWBXSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001382472939 922772239 /nfs/dbraw/zinc/77/22/39/922772239.db2.gz UAFNEBITXWMFKR-RYUDHWBXSA-N 1 1 311.386 -1.184 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001382466832 922773038 /nfs/dbraw/zinc/77/30/38/922773038.db2.gz UIWQCNIIUYXWPZ-ZJUUUORDSA-N 1 1 311.346 -2.687 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382467453 922773105 /nfs/dbraw/zinc/77/31/05/922773105.db2.gz NUYIGUIBVVGZNG-ZJUUUORDSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467453 922773118 /nfs/dbraw/zinc/77/31/18/922773118.db2.gz NUYIGUIBVVGZNG-ZJUUUORDSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467453 922773129 /nfs/dbraw/zinc/77/31/29/922773129.db2.gz NUYIGUIBVVGZNG-ZJUUUORDSA-N 1 1 300.359 -1.129 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001382469946 922773283 /nfs/dbraw/zinc/77/32/83/922773283.db2.gz JXMYIZSZYQRUGC-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001382469946 922773298 /nfs/dbraw/zinc/77/32/98/922773298.db2.gz JXMYIZSZYQRUGC-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001382472419 922773589 /nfs/dbraw/zinc/77/35/89/922773589.db2.gz KIFGQABNQLOFHZ-STQMWFEESA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cc(C(N)=O)ccn1 ZINC001382469376 922773841 /nfs/dbraw/zinc/77/38/41/922773841.db2.gz HEPLPYGXHWDZCP-LLVKDONJSA-N 1 1 310.354 -1.463 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001382468704 922774207 /nfs/dbraw/zinc/77/42/07/922774207.db2.gz XDYNOACJDDRBQJ-CMPLNLGQSA-N 1 1 324.385 -1.590 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001382470013 922774639 /nfs/dbraw/zinc/77/46/39/922774639.db2.gz KCWPRTFNEBLJNN-SECBINFHSA-N 1 1 309.370 -1.252 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001382470013 922774649 /nfs/dbraw/zinc/77/46/49/922774649.db2.gz KCWPRTFNEBLJNN-SECBINFHSA-N 1 1 309.370 -1.252 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001382473441 922774674 /nfs/dbraw/zinc/77/46/74/922774674.db2.gz UZEFMERGWTVZKL-GXFFZTMASA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001382473441 922774683 /nfs/dbraw/zinc/77/46/83/922774683.db2.gz UZEFMERGWTVZKL-GXFFZTMASA-N 1 1 305.350 -1.388 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001382470017 922775121 /nfs/dbraw/zinc/77/51/21/922775121.db2.gz KCWPRTFNEBLJNN-VIFPVBQESA-N 1 1 309.370 -1.252 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001382470017 922775133 /nfs/dbraw/zinc/77/51/33/922775133.db2.gz KCWPRTFNEBLJNN-VIFPVBQESA-N 1 1 309.370 -1.252 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382467448 922775211 /nfs/dbraw/zinc/77/52/11/922775211.db2.gz NUYIGUIBVVGZNG-VHSXEESVSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467448 922775223 /nfs/dbraw/zinc/77/52/23/922775223.db2.gz NUYIGUIBVVGZNG-VHSXEESVSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467448 922775236 /nfs/dbraw/zinc/77/52/36/922775236.db2.gz NUYIGUIBVVGZNG-VHSXEESVSA-N 1 1 300.359 -1.129 20 0 DAADMO CN(C)C(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382476648 922776589 /nfs/dbraw/zinc/77/65/89/922776589.db2.gz BYLBKSVGRLFIML-OLZOCXBDSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cnnn1C ZINC001382475897 922776800 /nfs/dbraw/zinc/77/68/00/922776800.db2.gz BRWUDNGJHIYHKU-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2cncn2C1 ZINC001382477674 922776890 /nfs/dbraw/zinc/77/68/90/922776890.db2.gz WVIDSIRHFBSHEN-AAEUAGOBSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2cncn2C1 ZINC001382477674 922776904 /nfs/dbraw/zinc/77/69/04/922776904.db2.gz WVIDSIRHFBSHEN-AAEUAGOBSA-N 1 1 323.397 -1.318 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001382475216 922777007 /nfs/dbraw/zinc/77/70/07/922777007.db2.gz UFEXZTPTZYIXSS-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCC(=O)NC1 ZINC001382476100 922777161 /nfs/dbraw/zinc/77/71/61/922777161.db2.gz VIHHLPUTFKFNMW-RYUDHWBXSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2cncn2C1 ZINC001382477688 922777638 /nfs/dbraw/zinc/77/76/38/922777638.db2.gz WVIDSIRHFBSHEN-YPMHNXCESA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2cncn2C1 ZINC001382477688 922777652 /nfs/dbraw/zinc/77/76/52/922777652.db2.gz WVIDSIRHFBSHEN-YPMHNXCESA-N 1 1 323.397 -1.318 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001382476442 922778001 /nfs/dbraw/zinc/77/80/01/922778001.db2.gz PONLUGUYBHZSEO-GHMZBOCLSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382476442 922778017 /nfs/dbraw/zinc/77/80/17/922778017.db2.gz PONLUGUYBHZSEO-GHMZBOCLSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382476442 922778029 /nfs/dbraw/zinc/77/80/29/922778029.db2.gz PONLUGUYBHZSEO-GHMZBOCLSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001382476474 922778354 /nfs/dbraw/zinc/77/83/54/922778354.db2.gz PONLUGUYBHZSEO-WDEREUQCSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382476474 922778367 /nfs/dbraw/zinc/77/83/67/922778367.db2.gz PONLUGUYBHZSEO-WDEREUQCSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382476474 922778377 /nfs/dbraw/zinc/77/83/77/922778377.db2.gz PONLUGUYBHZSEO-WDEREUQCSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O ZINC001382479978 922780313 /nfs/dbraw/zinc/78/03/13/922780313.db2.gz LGGLONKTFFVCJS-VIFPVBQESA-N 1 1 303.363 -2.412 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382479010 922781143 /nfs/dbraw/zinc/78/11/43/922781143.db2.gz TVRKIHWHJRIERJ-ZJUUUORDSA-N 1 1 315.374 -2.540 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cncn1C ZINC001382481471 922781231 /nfs/dbraw/zinc/78/12/31/922781231.db2.gz ONIZQCXVPQTEPO-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cncn1C ZINC001382481474 922781722 /nfs/dbraw/zinc/78/17/22/922781722.db2.gz ONIZQCXVPQTEPO-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001382480425 922781783 /nfs/dbraw/zinc/78/17/83/922781783.db2.gz LXIOISGZPOLSMW-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382509889 922791290 /nfs/dbraw/zinc/79/12/90/922791290.db2.gz JTBGVPGWEOIKHH-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382509889 922791299 /nfs/dbraw/zinc/79/12/99/922791299.db2.gz JTBGVPGWEOIKHH-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382509889 922791308 /nfs/dbraw/zinc/79/13/08/922791308.db2.gz JTBGVPGWEOIKHH-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cnccn1 ZINC001382529388 922796374 /nfs/dbraw/zinc/79/63/74/922796374.db2.gz SBJUWYLIMHFNST-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001382548100 922798692 /nfs/dbraw/zinc/79/86/92/922798692.db2.gz GYIQXHFNTYIUMZ-ONGXEEELSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001382548084 922798981 /nfs/dbraw/zinc/79/89/81/922798981.db2.gz GYIQXHFNTYIUMZ-GXSJLCMTSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001382548090 922799359 /nfs/dbraw/zinc/79/93/59/922799359.db2.gz GYIQXHFNTYIUMZ-KOLCDFICSA-N 1 1 324.385 -1.196 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001382553357 922801358 /nfs/dbraw/zinc/80/13/58/922801358.db2.gz JITLHWSRWJLOJA-VIFPVBQESA-N 1 1 313.362 -2.241 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1[nH]nnc1C ZINC001382554463 922801651 /nfs/dbraw/zinc/80/16/51/922801651.db2.gz CUMVQXTVZGWCMH-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1n[nH]cc1F ZINC001382548296 922802417 /nfs/dbraw/zinc/80/24/17/922802417.db2.gz ICZGCQCORBLFKH-WCBMZHEXSA-N 1 1 313.333 -1.150 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001382553326 922802562 /nfs/dbraw/zinc/80/25/62/922802562.db2.gz JITLHWSRWJLOJA-SECBINFHSA-N 1 1 313.362 -2.241 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001382564596 922804264 /nfs/dbraw/zinc/80/42/64/922804264.db2.gz MUTSZRMDNXMHDP-UHFFFAOYSA-N 1 1 316.387 -1.666 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nonc1C)[C@@H]1CCNC1=O ZINC001382555092 922806075 /nfs/dbraw/zinc/80/60/75/922806075.db2.gz PAYLXZLJLRFILH-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nonc1C)[C@@H]1CCNC1=O ZINC001382555092 922806090 /nfs/dbraw/zinc/80/60/90/922806090.db2.gz PAYLXZLJLRFILH-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001382585394 922815392 /nfs/dbraw/zinc/81/53/92/922815392.db2.gz VXIFDSFIKOKLQE-NXEZZACHSA-N 1 1 311.342 -1.239 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CNC(=O)N1 ZINC001382621126 922823021 /nfs/dbraw/zinc/82/30/21/922823021.db2.gz LLCLAPCOGXTITN-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1cnnn1C ZINC001382622879 922823035 /nfs/dbraw/zinc/82/30/35/922823035.db2.gz PHYVWAZKLJBRFS-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001382635683 922823956 /nfs/dbraw/zinc/82/39/56/922823956.db2.gz CMEUFQQORVFSSI-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001382891672 922840701 /nfs/dbraw/zinc/84/07/01/922840701.db2.gz AHLPPPYPMSURTD-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382893702 922842276 /nfs/dbraw/zinc/84/22/76/922842276.db2.gz KIRXTPOIFQWBMN-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001382895757 922844042 /nfs/dbraw/zinc/84/40/42/922844042.db2.gz SYJHPMXAOPDZMA-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001382902096 922844234 /nfs/dbraw/zinc/84/42/34/922844234.db2.gz CMFLRZSZSCOODU-QWHCGFSZSA-N 1 1 311.386 -1.231 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908335 922846788 /nfs/dbraw/zinc/84/67/88/922846788.db2.gz RBNZHTCDVAVXER-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908335 922846797 /nfs/dbraw/zinc/84/67/97/922846797.db2.gz RBNZHTCDVAVXER-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382953883 922853027 /nfs/dbraw/zinc/85/30/27/922853027.db2.gz OJICRYJPHJFMBB-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382953883 922853039 /nfs/dbraw/zinc/85/30/39/922853039.db2.gz OJICRYJPHJFMBB-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382952815 922854189 /nfs/dbraw/zinc/85/41/89/922854189.db2.gz LMEPRPNRGJVIRU-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382958014 922854867 /nfs/dbraw/zinc/85/48/67/922854867.db2.gz VYPNBLXJDJKBGH-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382958014 922854882 /nfs/dbraw/zinc/85/48/82/922854882.db2.gz VYPNBLXJDJKBGH-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382953884 922854973 /nfs/dbraw/zinc/85/49/73/922854973.db2.gz OJICRYJPHJFMBB-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382953884 922854991 /nfs/dbraw/zinc/85/49/91/922854991.db2.gz OJICRYJPHJFMBB-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382994287 922862672 /nfs/dbraw/zinc/86/26/72/922862672.db2.gz LLBFZVKJCNCNDD-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382997760 922865132 /nfs/dbraw/zinc/86/51/32/922865132.db2.gz SDNFOVKLZRLULS-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001383017342 922867611 /nfs/dbraw/zinc/86/76/11/922867611.db2.gz HITSRUCFJPJEGY-SNVBAGLBSA-N 1 1 321.341 -1.441 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001383026061 922870037 /nfs/dbraw/zinc/87/00/37/922870037.db2.gz YXVBHZLRKFXXFL-SNVBAGLBSA-N 1 1 321.341 -1.441 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001383035809 922871369 /nfs/dbraw/zinc/87/13/69/922871369.db2.gz ZELPVGCMFLIXGP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001383035809 922871386 /nfs/dbraw/zinc/87/13/86/922871386.db2.gz ZELPVGCMFLIXGP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001383035809 922871405 /nfs/dbraw/zinc/87/14/05/922871405.db2.gz ZELPVGCMFLIXGP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001383035809 922871413 /nfs/dbraw/zinc/87/14/13/922871413.db2.gz ZELPVGCMFLIXGP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001383035809 922871433 /nfs/dbraw/zinc/87/14/33/922871433.db2.gz ZELPVGCMFLIXGP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001383038429 922873318 /nfs/dbraw/zinc/87/33/18/922873318.db2.gz JSJUNQRLUXUXOO-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)CNC(N)=O ZINC001383060891 922876100 /nfs/dbraw/zinc/87/61/00/922876100.db2.gz YOOQRVBEFQHPPH-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccnn1 ZINC001383060088 922876751 /nfs/dbraw/zinc/87/67/51/922876751.db2.gz ITRYKLKENWTCLM-NEPJUHHUSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccnn1 ZINC001383060157 922877208 /nfs/dbraw/zinc/87/72/08/922877208.db2.gz ITRYKLKENWTCLM-VXGBXAGGSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1nnc[nH]1 ZINC001383092686 922882783 /nfs/dbraw/zinc/88/27/83/922882783.db2.gz YZPKTEIJAXWNGF-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1nnc[nH]1 ZINC001383092698 922883683 /nfs/dbraw/zinc/88/36/83/922883683.db2.gz YZPKTEIJAXWNGF-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383103429 922884047 /nfs/dbraw/zinc/88/40/47/922884047.db2.gz NRFWDTIHXSUXIJ-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001383127361 922888928 /nfs/dbraw/zinc/88/89/28/922888928.db2.gz CBFURRQCIUHAAL-MNOVXSKESA-N 1 1 324.385 -1.352 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001383138497 922890107 /nfs/dbraw/zinc/89/01/07/922890107.db2.gz MXCILBXULCVHBR-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001383138497 922890124 /nfs/dbraw/zinc/89/01/24/922890124.db2.gz MXCILBXULCVHBR-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn(C)c2)C1 ZINC001383861331 922934593 /nfs/dbraw/zinc/93/45/93/922934593.db2.gz JAUVQCZMOXZUCC-WCQYABFASA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383869516 922943932 /nfs/dbraw/zinc/94/39/32/922943932.db2.gz XTEBOSXRCHYLRS-NWDGAFQWSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001383886492 922954312 /nfs/dbraw/zinc/95/43/12/922954312.db2.gz KESZUORJXCFNSO-HBNTYKKESA-N 1 1 312.370 -2.048 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889839 922956267 /nfs/dbraw/zinc/95/62/67/922956267.db2.gz PDGYAXFIQBXUMC-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889839 922956283 /nfs/dbraw/zinc/95/62/83/922956283.db2.gz PDGYAXFIQBXUMC-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889842 922957078 /nfs/dbraw/zinc/95/70/78/922957078.db2.gz PDGYAXFIQBXUMC-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889842 922957086 /nfs/dbraw/zinc/95/70/86/922957086.db2.gz PDGYAXFIQBXUMC-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383889371 922957185 /nfs/dbraw/zinc/95/71/85/922957185.db2.gz MSWKKRMUZLCDGL-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383889371 922957199 /nfs/dbraw/zinc/95/71/99/922957199.db2.gz MSWKKRMUZLCDGL-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887765 922957289 /nfs/dbraw/zinc/95/72/89/922957289.db2.gz HIJCEVBGNWSBOE-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887765 922957303 /nfs/dbraw/zinc/95/73/03/922957303.db2.gz HIJCEVBGNWSBOE-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cnnn1 ZINC001383889928 922957342 /nfs/dbraw/zinc/95/73/42/922957342.db2.gz GAIYIQSWRVHVIV-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC1(O)CCC1 ZINC001383888349 922957553 /nfs/dbraw/zinc/95/75/53/922957553.db2.gz CBQIYSXZDZEALI-RYUDHWBXSA-N 1 1 313.398 -1.021 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383895947 922963800 /nfs/dbraw/zinc/96/38/00/922963800.db2.gz RXKOXMZDXRDVKQ-VHSXEESVSA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383899860 922964563 /nfs/dbraw/zinc/96/45/63/922964563.db2.gz LAZZNSRZGLBQCH-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383899860 922964568 /nfs/dbraw/zinc/96/45/68/922964568.db2.gz LAZZNSRZGLBQCH-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383899865 922964610 /nfs/dbraw/zinc/96/46/10/922964610.db2.gz LAZZNSRZGLBQCH-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383899865 922964618 /nfs/dbraw/zinc/96/46/18/922964618.db2.gz LAZZNSRZGLBQCH-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCNC(N)=O ZINC001383900249 922964893 /nfs/dbraw/zinc/96/48/93/922964893.db2.gz YCMTZXYMJWEHNA-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001383901157 922966891 /nfs/dbraw/zinc/96/68/91/922966891.db2.gz YWXOGDHJGWTJPE-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001383905255 922967959 /nfs/dbraw/zinc/96/79/59/922967959.db2.gz CDVAVERWUQWHSA-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001383911850 922970804 /nfs/dbraw/zinc/97/08/04/922970804.db2.gz PVGXRZLMDQSAKF-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001383916707 922977588 /nfs/dbraw/zinc/97/75/88/922977588.db2.gz CJDAUSWPVYMAJU-WCQYABFASA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1 ZINC001383927094 922980427 /nfs/dbraw/zinc/98/04/27/922980427.db2.gz MQPGJVKDAXCXAN-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1 ZINC001383927092 922980544 /nfs/dbraw/zinc/98/05/44/922980544.db2.gz MQPGJVKDAXCXAN-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001383925426 922980666 /nfs/dbraw/zinc/98/06/66/922980666.db2.gz KFBARMAPSMWQGL-JTQLQIEISA-N 1 1 321.341 -1.854 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001383925444 922980728 /nfs/dbraw/zinc/98/07/28/922980728.db2.gz KKPFFWOSBWECDD-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)COCC(F)F)C1 ZINC001383931229 922983132 /nfs/dbraw/zinc/98/31/32/922983132.db2.gz ZAHCISCGQZYWCR-NXEZZACHSA-N 1 1 323.340 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cncnc2)C1 ZINC001383929149 922983277 /nfs/dbraw/zinc/98/32/77/922983277.db2.gz SFJZBGQYAZJJSW-OLZOCXBDSA-N 1 1 321.381 -1.436 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001383940697 922985730 /nfs/dbraw/zinc/98/57/30/922985730.db2.gz XTBBWOGQLGZGEG-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001383941793 922985799 /nfs/dbraw/zinc/98/57/99/922985799.db2.gz FNVTYDXTHZXTQJ-ONGXEEELSA-N 1 1 323.353 -1.517 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001383942618 922985887 /nfs/dbraw/zinc/98/58/87/922985887.db2.gz QGOUDTFTJQFZPF-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001383942618 922985900 /nfs/dbraw/zinc/98/59/00/922985900.db2.gz QGOUDTFTJQFZPF-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001383942618 922985912 /nfs/dbraw/zinc/98/59/12/922985912.db2.gz QGOUDTFTJQFZPF-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001383937238 922986286 /nfs/dbraw/zinc/98/62/86/922986286.db2.gz CEZNZDLKRZCRJS-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001383951199 922990828 /nfs/dbraw/zinc/99/08/28/922990828.db2.gz IKEUBMGAWIEDPM-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001383957087 922990886 /nfs/dbraw/zinc/99/08/86/922990886.db2.gz IADFCDMQEHZASV-SECBINFHSA-N 1 1 314.342 -1.411 20 0 DAADMO CC1CC[NH+](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001383960865 922993059 /nfs/dbraw/zinc/99/30/59/922993059.db2.gz LMPDSDGJCBPXHQ-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001383959599 922993408 /nfs/dbraw/zinc/99/34/08/922993408.db2.gz DWPWZMKIXVDDTB-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O ZINC001383964358 922995999 /nfs/dbraw/zinc/99/59/99/922995999.db2.gz PNHGZXPOTDPCBO-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO CSCC(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001383966579 922996821 /nfs/dbraw/zinc/99/68/21/922996821.db2.gz AYYUOEFJXUJODZ-NSHDSACASA-N 1 1 319.427 -1.335 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cn1nccn1 ZINC001383971676 922999527 /nfs/dbraw/zinc/99/95/27/922999527.db2.gz UZABKRHKSSSZAP-LLVKDONJSA-N 1 1 321.341 -1.923 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1nnn(C)n1 ZINC001383982004 923003374 /nfs/dbraw/zinc/00/33/74/923003374.db2.gz NUEBQQCYQRJPBZ-SECBINFHSA-N 1 1 313.362 -2.241 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1csnn1 ZINC001383981868 923004265 /nfs/dbraw/zinc/00/42/65/923004265.db2.gz JXGMVMRBQRPUNJ-WCBMZHEXSA-N 1 1 313.383 -1.161 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001383981857 923004998 /nfs/dbraw/zinc/00/49/98/923004998.db2.gz VXYMYBYATHTZEU-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001383982709 923005616 /nfs/dbraw/zinc/00/56/16/923005616.db2.gz UXXPBTMAQREWNS-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO Cn1nncc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001383989008 923012169 /nfs/dbraw/zinc/01/21/69/923012169.db2.gz QMBMPAIHHJTHIJ-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384008098 923021810 /nfs/dbraw/zinc/02/18/10/923021810.db2.gz HGBUVKBABXFLRB-NXEZZACHSA-N 1 1 324.341 -2.534 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384006884 923023152 /nfs/dbraw/zinc/02/31/52/923023152.db2.gz FHZRDNPZJTUMBM-NXEZZACHSA-N 1 1 324.341 -2.534 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001384012764 923023477 /nfs/dbraw/zinc/02/34/77/923023477.db2.gz SRPQTFMERLOXGT-NXEZZACHSA-N 1 1 310.358 -1.554 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001384019537 923029009 /nfs/dbraw/zinc/02/90/09/923029009.db2.gz YJLQDWVBNBLIED-WCBMZHEXSA-N 1 1 313.333 -1.150 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1 ZINC001384021590 923030161 /nfs/dbraw/zinc/03/01/61/923030161.db2.gz MMAZIZWVEDIDET-LBPRGKRZSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001384058850 923041003 /nfs/dbraw/zinc/04/10/03/923041003.db2.gz ZALTXRWEACJNNI-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058850 923041019 /nfs/dbraw/zinc/04/10/19/923041019.db2.gz ZALTXRWEACJNNI-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058850 923041037 /nfs/dbraw/zinc/04/10/37/923041037.db2.gz ZALTXRWEACJNNI-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)CNC(N)=O)C[C@H]1C ZINC001384084203 923042870 /nfs/dbraw/zinc/04/28/70/923042870.db2.gz ASPSSBPGEMAUOT-KOLCDFICSA-N 1 1 322.369 -1.035 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001384207886 923060309 /nfs/dbraw/zinc/06/03/09/923060309.db2.gz NNJJZDFXNFSCPY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384225861 923067309 /nfs/dbraw/zinc/06/73/09/923067309.db2.gz PHMOGQUZLAGTBQ-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001384232423 923069866 /nfs/dbraw/zinc/06/98/66/923069866.db2.gz FZMCUAZSLBOPGS-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001384232423 923069884 /nfs/dbraw/zinc/06/98/84/923069884.db2.gz FZMCUAZSLBOPGS-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001384232423 923069897 /nfs/dbraw/zinc/06/98/97/923069897.db2.gz FZMCUAZSLBOPGS-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1ncc[nH]1 ZINC001384255462 923078167 /nfs/dbraw/zinc/07/81/67/923078167.db2.gz LRYHFMNGIPAPES-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001384262841 923082852 /nfs/dbraw/zinc/08/28/52/923082852.db2.gz QFDOKKCCDGOLHR-MNOVXSKESA-N 1 1 311.342 -1.287 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001384713232 923098737 /nfs/dbraw/zinc/09/87/37/923098737.db2.gz LVTDIAGYQDQYNG-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001384710990 923099584 /nfs/dbraw/zinc/09/95/84/923099584.db2.gz QYEYIKUMLSILIG-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001384743648 923112128 /nfs/dbraw/zinc/11/21/28/923112128.db2.gz VRKBCRHLKSYAPT-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001384803886 923121065 /nfs/dbraw/zinc/12/10/65/923121065.db2.gz KNTXBCBBTVDKJY-WOPDTQHZSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001384827316 923128709 /nfs/dbraw/zinc/12/87/09/923128709.db2.gz LYUZBYVBORULIO-NEPJUHHUSA-N 1 1 324.385 -1.694 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001385116359 923146769 /nfs/dbraw/zinc/14/67/69/923146769.db2.gz PWBDABBPBRKSRM-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CCNC(N)=O)CC2)C1 ZINC001385266547 923160311 /nfs/dbraw/zinc/16/03/11/923160311.db2.gz NHKCOHMPZAZXPY-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001385337285 923168052 /nfs/dbraw/zinc/16/80/52/923168052.db2.gz BIGDTXJHXOSSHV-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)CNC(N)=O)CC1 ZINC001385345644 923168234 /nfs/dbraw/zinc/16/82/34/923168234.db2.gz KPBKPFVHWNUYBJ-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385574738 923180672 /nfs/dbraw/zinc/18/06/72/923180672.db2.gz UDEGNBRWTDCVAM-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385574742 923181225 /nfs/dbraw/zinc/18/12/25/923181225.db2.gz UDEGNBRWTDCVAM-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001385579937 923183254 /nfs/dbraw/zinc/18/32/54/923183254.db2.gz OZSRKTRPCXZNQD-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385590369 923185672 /nfs/dbraw/zinc/18/56/72/923185672.db2.gz LYZBCMHHFJEVLV-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385590367 923186430 /nfs/dbraw/zinc/18/64/30/923186430.db2.gz LYZBCMHHFJEVLV-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622586 923188972 /nfs/dbraw/zinc/18/89/72/923188972.db2.gz PJVHKNDJRZYDBK-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622586 923188979 /nfs/dbraw/zinc/18/89/79/923188979.db2.gz PJVHKNDJRZYDBK-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385629464 923189353 /nfs/dbraw/zinc/18/93/53/923189353.db2.gz XIXHYODWNQBJCS-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](NC(=O)CNC(N)=O)C1CC1 ZINC001385715505 923198088 /nfs/dbraw/zinc/19/80/88/923198088.db2.gz FLXYWPKTXOTYET-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385714784 923198272 /nfs/dbraw/zinc/19/82/72/923198272.db2.gz PWJHAPOYLAOFIX-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](NC(=O)CNC(N)=O)C1CC1 ZINC001385715503 923198450 /nfs/dbraw/zinc/19/84/50/923198450.db2.gz FLXYWPKTXOTYET-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001385753606 923204253 /nfs/dbraw/zinc/20/42/53/923204253.db2.gz LRPQCZSKRHNEOL-VXGBXAGGSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001385886010 923211054 /nfs/dbraw/zinc/21/10/54/923211054.db2.gz JCOIQXWXUHYBNB-GHMZBOCLSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001385886013 923212429 /nfs/dbraw/zinc/21/24/29/923212429.db2.gz JCOIQXWXUHYBNB-WDEREUQCSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)C1 ZINC001385878906 923212593 /nfs/dbraw/zinc/21/25/93/923212593.db2.gz PLQBXPBCCGGJST-VXGBXAGGSA-N 1 1 321.385 -1.364 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001385907840 923214824 /nfs/dbraw/zinc/21/48/24/923214824.db2.gz YMCLGKCOHJCMMA-XYPYZODXSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001385926030 923215628 /nfs/dbraw/zinc/21/56/28/923215628.db2.gz XZVQZVVMUSNOAU-NAKRPEOUSA-N 1 1 311.386 -1.099 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001386005225 923221697 /nfs/dbraw/zinc/22/16/97/923221697.db2.gz CIXQTYQITOZIIA-SDDRHHMPSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001386053253 923223478 /nfs/dbraw/zinc/22/34/78/923223478.db2.gz PLHJTXGWKBIJHY-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001386053253 923223492 /nfs/dbraw/zinc/22/34/92/923223492.db2.gz PLHJTXGWKBIJHY-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386074494 923225330 /nfs/dbraw/zinc/22/53/30/923225330.db2.gz FOGAHRLYXMYTRV-LBELIVKGSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386074494 923225344 /nfs/dbraw/zinc/22/53/44/923225344.db2.gz FOGAHRLYXMYTRV-LBELIVKGSA-N 1 1 311.382 -1.075 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001386083042 923225527 /nfs/dbraw/zinc/22/55/27/923225527.db2.gz MNXSBYNJSORSBH-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001386112562 923231175 /nfs/dbraw/zinc/23/11/75/923231175.db2.gz ODBNQRCOERFHGP-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001386163685 923237036 /nfs/dbraw/zinc/23/70/36/923237036.db2.gz YWNNXVAKAGZDFO-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386162989 923237319 /nfs/dbraw/zinc/23/73/19/923237319.db2.gz WEHJUIUABAZCFJ-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386162989 923237331 /nfs/dbraw/zinc/23/73/31/923237331.db2.gz WEHJUIUABAZCFJ-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001386235729 923244566 /nfs/dbraw/zinc/24/45/66/923244566.db2.gz IKWZSWKULBAXRY-BDAKNGLRSA-N 1 1 310.358 -1.131 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001386276691 923248910 /nfs/dbraw/zinc/24/89/10/923248910.db2.gz CBOUPMPNCVJDDI-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001386276690 923249364 /nfs/dbraw/zinc/24/93/64/923249364.db2.gz CBOUPMPNCVJDDI-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305410 923254216 /nfs/dbraw/zinc/25/42/16/923254216.db2.gz CLRVBCQWOGGGHD-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305410 923254228 /nfs/dbraw/zinc/25/42/28/923254228.db2.gz CLRVBCQWOGGGHD-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCCC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386341768 923259093 /nfs/dbraw/zinc/25/90/93/923259093.db2.gz WKSFQSUUVVDBHR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)CCCC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386341768 923259107 /nfs/dbraw/zinc/25/91/07/923259107.db2.gz WKSFQSUUVVDBHR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001386643481 923289780 /nfs/dbraw/zinc/28/97/80/923289780.db2.gz BEZMAAMOAMDULT-HBNTYKKESA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386643683 923290609 /nfs/dbraw/zinc/29/06/09/923290609.db2.gz WUCSAFQTZPGQLI-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)c1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386681222 923297351 /nfs/dbraw/zinc/29/73/51/923297351.db2.gz HBRFRPVHYAMRCO-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386681222 923297368 /nfs/dbraw/zinc/29/73/68/923297368.db2.gz HBRFRPVHYAMRCO-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703610 923298499 /nfs/dbraw/zinc/29/84/99/923298499.db2.gz GKRFFRBXPARQIM-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703610 923298517 /nfs/dbraw/zinc/29/85/17/923298517.db2.gz GKRFFRBXPARQIM-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707368 923298744 /nfs/dbraw/zinc/29/87/44/923298744.db2.gz WXGFDJJJWMDJOH-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707368 923298758 /nfs/dbraw/zinc/29/87/58/923298758.db2.gz WXGFDJJJWMDJOH-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703813 923299121 /nfs/dbraw/zinc/29/91/21/923299121.db2.gz IIWUIXQWTKDAFR-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703813 923299134 /nfs/dbraw/zinc/29/91/34/923299134.db2.gz IIWUIXQWTKDAFR-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707386 923300131 /nfs/dbraw/zinc/30/01/31/923300131.db2.gz WXGFDJJJWMDJOH-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707386 923300142 /nfs/dbraw/zinc/30/01/42/923300142.db2.gz WXGFDJJJWMDJOH-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707373 923301017 /nfs/dbraw/zinc/30/10/17/923301017.db2.gz WXGFDJJJWMDJOH-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707373 923301033 /nfs/dbraw/zinc/30/10/33/923301033.db2.gz WXGFDJJJWMDJOH-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703815 923301224 /nfs/dbraw/zinc/30/12/24/923301224.db2.gz IIWUIXQWTKDAFR-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703815 923301243 /nfs/dbraw/zinc/30/12/43/923301243.db2.gz IIWUIXQWTKDAFR-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO CN(CCNC(=O)c1cnccn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386787330 923307266 /nfs/dbraw/zinc/30/72/66/923307266.db2.gz NBMLNNWBNKFEPE-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cnccn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386787330 923307274 /nfs/dbraw/zinc/30/72/74/923307274.db2.gz NBMLNNWBNKFEPE-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO C[C@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386793405 923309378 /nfs/dbraw/zinc/30/93/78/923309378.db2.gz NFGJEUXKXZORIH-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386793405 923309396 /nfs/dbraw/zinc/30/93/96/923309396.db2.gz NFGJEUXKXZORIH-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386801107 923310278 /nfs/dbraw/zinc/31/02/78/923310278.db2.gz QSCLPEKOZCHWQD-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386801103 923310989 /nfs/dbraw/zinc/31/09/89/923310989.db2.gz QSCLPEKOZCHWQD-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cn2cncn2)C1 ZINC001386827689 923314649 /nfs/dbraw/zinc/31/46/49/923314649.db2.gz SZCOOOZUWCAONR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cn2cncn2)C1 ZINC001386827689 923314658 /nfs/dbraw/zinc/31/46/58/923314658.db2.gz SZCOOOZUWCAONR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001386839463 923316751 /nfs/dbraw/zinc/31/67/51/923316751.db2.gz JGSDONBGINGYBB-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001386839463 923316758 /nfs/dbraw/zinc/31/67/58/923316758.db2.gz JGSDONBGINGYBB-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CCn1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001386839832 923316926 /nfs/dbraw/zinc/31/69/26/923316926.db2.gz PVWTYSFBNNVAAX-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001386839832 923316941 /nfs/dbraw/zinc/31/69/41/923316941.db2.gz PVWTYSFBNNVAAX-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1cc(C(=O)N(C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001386839831 923318041 /nfs/dbraw/zinc/31/80/41/923318041.db2.gz PVWTYSFBNNVAAX-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1cc(C(=O)N(C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001386839831 923318055 /nfs/dbraw/zinc/31/80/55/923318055.db2.gz PVWTYSFBNNVAAX-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386839049 923318274 /nfs/dbraw/zinc/31/82/74/923318274.db2.gz FPYIWOFFEYENSY-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386839049 923318288 /nfs/dbraw/zinc/31/82/88/923318288.db2.gz FPYIWOFFEYENSY-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001386862593 923319953 /nfs/dbraw/zinc/31/99/53/923319953.db2.gz RMJKHRMJWDOGGV-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386865435 923322704 /nfs/dbraw/zinc/32/27/04/923322704.db2.gz IYHBTYQNHQWHNW-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386865435 923322716 /nfs/dbraw/zinc/32/27/16/923322716.db2.gz IYHBTYQNHQWHNW-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001386888981 923324576 /nfs/dbraw/zinc/32/45/76/923324576.db2.gz LNLJZJYUZFVWIB-QWRGUYRKSA-N 1 1 311.386 -1.464 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)Cn1ncnn1 ZINC001386892423 923325878 /nfs/dbraw/zinc/32/58/78/923325878.db2.gz OVKUOPRBFMDJLX-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)CCn1cnnn1 ZINC001386888581 923326150 /nfs/dbraw/zinc/32/61/50/923326150.db2.gz AQYGKRSWKRPESA-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CN(CCNC(=O)c1cn[nH]c(=O)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386944319 923333020 /nfs/dbraw/zinc/33/30/20/923333020.db2.gz GLNYXLNUOQTYDS-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1cn[nH]c(=O)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386944319 923333039 /nfs/dbraw/zinc/33/30/39/923333039.db2.gz GLNYXLNUOQTYDS-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)Cn1ncnn1 ZINC001387002860 923338762 /nfs/dbraw/zinc/33/87/62/923338762.db2.gz CWDVTAVSWABPAC-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001387035800 923346823 /nfs/dbraw/zinc/34/68/23/923346823.db2.gz LUHXONOPFAQKRK-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001387211687 923367449 /nfs/dbraw/zinc/36/74/49/923367449.db2.gz SKFKMTZJGRPPNZ-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001387277101 923371361 /nfs/dbraw/zinc/37/13/61/923371361.db2.gz ASXNHQTZCOOFJD-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001387422409 923378138 /nfs/dbraw/zinc/37/81/38/923378138.db2.gz SHISGLDIGOYSLA-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001387422409 923378154 /nfs/dbraw/zinc/37/81/54/923378154.db2.gz SHISGLDIGOYSLA-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)CNC(N)=O)C1CC1 ZINC001387515555 923380551 /nfs/dbraw/zinc/38/05/51/923380551.db2.gz HKPDYLBNCFJUDH-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(CCNC(=O)c1ccc(=O)[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387625083 923386408 /nfs/dbraw/zinc/38/64/08/923386408.db2.gz WDMCFWQNTSHULF-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1ccc(=O)[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387625083 923386427 /nfs/dbraw/zinc/38/64/27/923386427.db2.gz WDMCFWQNTSHULF-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC001387650582 923388449 /nfs/dbraw/zinc/38/84/49/923388449.db2.gz GJOCLFCESQZVAC-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387674514 923390340 /nfs/dbraw/zinc/39/03/40/923390340.db2.gz IUFADEDOVSROER-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387674514 923390352 /nfs/dbraw/zinc/39/03/52/923390352.db2.gz IUFADEDOVSROER-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387674505 923391701 /nfs/dbraw/zinc/39/17/01/923391701.db2.gz IUFADEDOVSROER-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387674505 923391706 /nfs/dbraw/zinc/39/17/06/923391706.db2.gz IUFADEDOVSROER-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CCC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001387713482 923401068 /nfs/dbraw/zinc/40/10/68/923401068.db2.gz ZVNWIZNKDAOLHE-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CCC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001387713482 923401077 /nfs/dbraw/zinc/40/10/77/923401077.db2.gz ZVNWIZNKDAOLHE-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001387725356 923406143 /nfs/dbraw/zinc/40/61/43/923406143.db2.gz KWEHBJQOHNBADX-UHFFFAOYSA-N 1 1 308.342 -1.423 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001387748686 923411171 /nfs/dbraw/zinc/41/11/71/923411171.db2.gz FOKOJLOKELRDMG-UHFFFAOYSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1)C1CCC1 ZINC001387751912 923412348 /nfs/dbraw/zinc/41/23/48/923412348.db2.gz VMPOOEXMFXKZPC-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001387757453 923414836 /nfs/dbraw/zinc/41/48/36/923414836.db2.gz LVDWAGGGRMMFTI-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001387765188 923417323 /nfs/dbraw/zinc/41/73/23/923417323.db2.gz XBBVNCYTUUAJQO-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2CN(C(=O)CNC(N)=O)C2)no1 ZINC001387768572 923417736 /nfs/dbraw/zinc/41/77/36/923417736.db2.gz VJHSUEDGSQZUCJ-UHFFFAOYSA-N 1 1 324.341 -1.655 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001387801319 923424182 /nfs/dbraw/zinc/42/41/82/923424182.db2.gz HJVPDMCXGYUUFK-UHFFFAOYSA-N 1 1 318.341 -1.405 20 0 DAADMO CN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387874635 923438531 /nfs/dbraw/zinc/43/85/31/923438531.db2.gz VBIOGAASUZIMEU-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001387902588 923439534 /nfs/dbraw/zinc/43/95/34/923439534.db2.gz GQEFURVBJUPLJS-LLVKDONJSA-N 1 1 321.385 -1.411 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001387906610 923443509 /nfs/dbraw/zinc/44/35/09/923443509.db2.gz TVPJILJLUKWNFQ-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CN(CCNC(=O)c1cccnn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388006762 923451376 /nfs/dbraw/zinc/45/13/76/923451376.db2.gz PCUVMJXYBWHJJC-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cccnn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388006762 923451389 /nfs/dbraw/zinc/45/13/89/923451389.db2.gz PCUVMJXYBWHJJC-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cccnn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388006763 923451529 /nfs/dbraw/zinc/45/15/29/923451529.db2.gz PCUVMJXYBWHJJC-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cccnn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388006763 923451540 /nfs/dbraw/zinc/45/15/40/923451540.db2.gz PCUVMJXYBWHJJC-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)CCn1cnnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001388013175 923454192 /nfs/dbraw/zinc/45/41/92/923454192.db2.gz MCHFKWKBLNDYLC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)CNC(N)=O ZINC001388143206 923464791 /nfs/dbraw/zinc/46/47/91/923464791.db2.gz NVKLLQURNYDLNO-JTQLQIEISA-N 1 1 310.358 -1.129 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001388222020 923469756 /nfs/dbraw/zinc/46/97/56/923469756.db2.gz GLNRUGQOHJSUPE-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001388222020 923469771 /nfs/dbraw/zinc/46/97/71/923469771.db2.gz GLNRUGQOHJSUPE-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388201144 923471238 /nfs/dbraw/zinc/47/12/38/923471238.db2.gz GZURLRHJWPCSLC-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388201144 923471247 /nfs/dbraw/zinc/47/12/47/923471247.db2.gz GZURLRHJWPCSLC-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)CNC(N)=O ZINC001388450900 923480552 /nfs/dbraw/zinc/48/05/52/923480552.db2.gz MVOYVRYLIFPCPV-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001388642509 923488898 /nfs/dbraw/zinc/48/88/98/923488898.db2.gz SYYPICDLRVUZDX-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001388642509 923488912 /nfs/dbraw/zinc/48/89/12/923488912.db2.gz SYYPICDLRVUZDX-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001388642515 923489766 /nfs/dbraw/zinc/48/97/66/923489766.db2.gz SYYPICDLRVUZDX-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001388642515 923489775 /nfs/dbraw/zinc/48/97/75/923489775.db2.gz SYYPICDLRVUZDX-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001388679054 923491901 /nfs/dbraw/zinc/49/19/01/923491901.db2.gz AGBPOTDYAHROSH-BBBLOLIVSA-N 1 1 324.389 -1.359 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001388698305 923495194 /nfs/dbraw/zinc/49/51/94/923495194.db2.gz SOUBZMRHINZBOQ-RWMBFGLXSA-N 1 1 312.414 -1.076 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001388772922 923498112 /nfs/dbraw/zinc/49/81/12/923498112.db2.gz DRFCKUJKMCGZHS-JTQLQIEISA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001388772922 923498120 /nfs/dbraw/zinc/49/81/20/923498120.db2.gz DRFCKUJKMCGZHS-JTQLQIEISA-N 1 1 323.353 -1.434 20 0 DAADMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1)C(N)=O ZINC001388760329 923498776 /nfs/dbraw/zinc/49/87/76/923498776.db2.gz DUMGVXUVLMCIKI-PSASIEDQSA-N 1 1 323.353 -1.059 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001388775476 923498820 /nfs/dbraw/zinc/49/88/20/923498820.db2.gz GNPMAZXGVLIJIN-GFCCVEGCSA-N 1 1 310.354 -1.012 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001388775476 923498829 /nfs/dbraw/zinc/49/88/29/923498829.db2.gz GNPMAZXGVLIJIN-GFCCVEGCSA-N 1 1 310.354 -1.012 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cncn3)C2)n1 ZINC001388758275 923499937 /nfs/dbraw/zinc/49/99/37/923499937.db2.gz QDZUMUQIXUKYLD-WDEREUQCSA-N 1 1 319.373 -1.124 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001388770689 923500541 /nfs/dbraw/zinc/50/05/41/923500541.db2.gz OEAXOEDNFHOTGL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001388770689 923500547 /nfs/dbraw/zinc/50/05/47/923500547.db2.gz OEAXOEDNFHOTGL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC(N)=O ZINC001388831471 923502070 /nfs/dbraw/zinc/50/20/70/923502070.db2.gz DWUINUZOQYXALS-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001388831471 923502084 /nfs/dbraw/zinc/50/20/84/923502084.db2.gz DWUINUZOQYXALS-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001388823675 923503020 /nfs/dbraw/zinc/50/30/20/923503020.db2.gz RXKWVCZVGCIPOW-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001388823675 923503032 /nfs/dbraw/zinc/50/30/32/923503032.db2.gz RXKWVCZVGCIPOW-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001388783655 923504083 /nfs/dbraw/zinc/50/40/83/923504083.db2.gz BBIJAXQTMUYDOH-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1CC(=O)NC(N)=O ZINC001388783655 923504097 /nfs/dbraw/zinc/50/40/97/923504097.db2.gz BBIJAXQTMUYDOH-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001388833835 923504135 /nfs/dbraw/zinc/50/41/35/923504135.db2.gz MPEAHNNJFZDGDJ-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001388793878 923504671 /nfs/dbraw/zinc/50/46/71/923504671.db2.gz AFAUZEJZMNGSSY-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001388789699 923504878 /nfs/dbraw/zinc/50/48/78/923504878.db2.gz GLFLEWZYQCBNLT-NEPJUHHUSA-N 1 1 319.427 -1.350 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001389037529 923513951 /nfs/dbraw/zinc/51/39/51/923513951.db2.gz KAJLOWXHMTWOLZ-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001389037529 923513957 /nfs/dbraw/zinc/51/39/57/923513957.db2.gz KAJLOWXHMTWOLZ-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001389044771 923517404 /nfs/dbraw/zinc/51/74/04/923517404.db2.gz PMKNQLHKFJPKTA-DGCLKSJQSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059438 923521708 /nfs/dbraw/zinc/52/17/08/923521708.db2.gz MYFPUMCQMVEKCF-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059438 923521723 /nfs/dbraw/zinc/52/17/23/923521723.db2.gz MYFPUMCQMVEKCF-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnsn1 ZINC001389069891 923527756 /nfs/dbraw/zinc/52/77/56/923527756.db2.gz DNJNQYIGKMJOQE-WCBMZHEXSA-N 1 1 313.383 -1.161 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001389069032 923527868 /nfs/dbraw/zinc/52/78/68/923527868.db2.gz IXABOMMAJZXGKS-ADEWGFFLSA-N 1 1 309.370 -1.043 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1nccnc1N ZINC001389071722 923532035 /nfs/dbraw/zinc/53/20/35/923532035.db2.gz BWLYOEUDOZXZGL-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001389081175 923539406 /nfs/dbraw/zinc/53/94/06/923539406.db2.gz SUJPGXOZZOCZLT-NEPJUHHUSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001389081078 923539988 /nfs/dbraw/zinc/53/99/88/923539988.db2.gz WTMQJCYUJPZIFT-GHMZBOCLSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081963 923542387 /nfs/dbraw/zinc/54/23/87/923542387.db2.gz ZKVJVADARZRMFZ-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081963 923542395 /nfs/dbraw/zinc/54/23/95/923542395.db2.gz ZKVJVADARZRMFZ-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2ccnn2)C1 ZINC001389085997 923543698 /nfs/dbraw/zinc/54/36/98/923543698.db2.gz HMIIDAIIQVZQOO-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2csnn2)C1 ZINC001389091645 923547239 /nfs/dbraw/zinc/54/72/39/923547239.db2.gz CWPKGJCGOYARSR-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001389094572 923548560 /nfs/dbraw/zinc/54/85/60/923548560.db2.gz HMIRBIVRLWDGLE-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CC2(O)CCC2)C1 ZINC001389095610 923550655 /nfs/dbraw/zinc/55/06/55/923550655.db2.gz RPRLNWGJGLWTRX-RYUDHWBXSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001389115552 923560581 /nfs/dbraw/zinc/56/05/81/923560581.db2.gz ZYAFPSCTNYBKLV-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115552 923560590 /nfs/dbraw/zinc/56/05/90/923560590.db2.gz ZYAFPSCTNYBKLV-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115552 923560600 /nfs/dbraw/zinc/56/06/00/923560600.db2.gz ZYAFPSCTNYBKLV-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001389121529 923563150 /nfs/dbraw/zinc/56/31/50/923563150.db2.gz XJSYORYYCNNAGL-GHMZBOCLSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001389118327 923564177 /nfs/dbraw/zinc/56/41/77/923564177.db2.gz XUIYIOQCXKUFNB-VHSXEESVSA-N 1 1 324.341 -2.534 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389161374 923574064 /nfs/dbraw/zinc/57/40/64/923574064.db2.gz XMPBBPZMDAMJHJ-NXEZZACHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389161374 923574069 /nfs/dbraw/zinc/57/40/69/923574069.db2.gz XMPBBPZMDAMJHJ-NXEZZACHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001389181281 923577487 /nfs/dbraw/zinc/57/74/87/923577487.db2.gz ZRNLJXJRVRVZDU-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CNC(=O)NC)C1 ZINC001389237492 923588023 /nfs/dbraw/zinc/58/80/23/923588023.db2.gz YRFRLKSIJFLSJT-UHFFFAOYSA-N 1 1 313.402 -1.027 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001389299627 923597414 /nfs/dbraw/zinc/59/74/14/923597414.db2.gz JYSFLHAQXBZTHZ-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001389353647 923604954 /nfs/dbraw/zinc/60/49/54/923604954.db2.gz GGPHMWKNMRVJQL-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001389369905 923608423 /nfs/dbraw/zinc/60/84/23/923608423.db2.gz JVSABKJLKWWYDU-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001389369905 923608433 /nfs/dbraw/zinc/60/84/33/923608433.db2.gz JVSABKJLKWWYDU-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001389369913 923608927 /nfs/dbraw/zinc/60/89/27/923608927.db2.gz JVSABKJLKWWYDU-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001389369913 923608939 /nfs/dbraw/zinc/60/89/39/923608939.db2.gz JVSABKJLKWWYDU-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001389432831 923622628 /nfs/dbraw/zinc/62/26/28/923622628.db2.gz CYZZRAVWWCTEQN-KBPBESRZSA-N 1 1 323.441 -1.440 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001389445897 923625908 /nfs/dbraw/zinc/62/59/08/923625908.db2.gz CUQDGUXONBGSIH-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001389457453 923628502 /nfs/dbraw/zinc/62/85/02/923628502.db2.gz QDIHXNSYCFFIPQ-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001389456298 923629648 /nfs/dbraw/zinc/62/96/48/923629648.db2.gz SJVYWHIVVUGORZ-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001389456298 923629665 /nfs/dbraw/zinc/62/96/65/923629665.db2.gz SJVYWHIVVUGORZ-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001389475430 923633120 /nfs/dbraw/zinc/63/31/20/923633120.db2.gz DTWMEJMKZIYQDH-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001389475430 923633130 /nfs/dbraw/zinc/63/31/30/923633130.db2.gz DTWMEJMKZIYQDH-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001389484161 923634481 /nfs/dbraw/zinc/63/44/81/923634481.db2.gz GBRQCAZKTLRJMW-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001389489139 923635736 /nfs/dbraw/zinc/63/57/36/923635736.db2.gz VJHVXZBHPPHNLT-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492840 923636593 /nfs/dbraw/zinc/63/65/93/923636593.db2.gz XVROWMJSOZFNTG-BDAKNGLRSA-N 1 1 321.403 -2.553 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492840 923636599 /nfs/dbraw/zinc/63/65/99/923636599.db2.gz XVROWMJSOZFNTG-BDAKNGLRSA-N 1 1 321.403 -2.553 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001389521028 923643651 /nfs/dbraw/zinc/64/36/51/923643651.db2.gz IIMAFZOUQGPCMW-YPMHNXCESA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001389526090 923644889 /nfs/dbraw/zinc/64/48/89/923644889.db2.gz OKWBCGPXAGJMPF-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001389526078 923645114 /nfs/dbraw/zinc/64/51/14/923645114.db2.gz OKWBCGPXAGJMPF-TUAOUCFPSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1cn(C)nn1)C1CC1 ZINC001389581336 923649189 /nfs/dbraw/zinc/64/91/89/923649189.db2.gz CREHMUIJJHRHKB-GZMMTYOYSA-N 1 1 309.374 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(NC(N)=O)CC1 ZINC001389620300 923654564 /nfs/dbraw/zinc/65/45/64/923654564.db2.gz CDBPNNFJUULYTK-QWRGUYRKSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC001389634405 923658337 /nfs/dbraw/zinc/65/83/37/923658337.db2.gz CJFJNWBSZPQQAP-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001389680946 923666164 /nfs/dbraw/zinc/66/61/64/923666164.db2.gz WXWLBDBUGXKMHK-QWRGUYRKSA-N 1 1 321.385 -1.137 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389717564 923668484 /nfs/dbraw/zinc/66/84/84/923668484.db2.gz KOLPJISTWMNORB-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)CCNC(N)=O ZINC001389711810 923669144 /nfs/dbraw/zinc/66/91/44/923669144.db2.gz OEXAWIHUNWKEIM-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001389735468 923672404 /nfs/dbraw/zinc/67/24/04/923672404.db2.gz YYWQIKOEIOHPPO-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001389795347 923680516 /nfs/dbraw/zinc/68/05/16/923680516.db2.gz KHUWNHGLZUGSJH-VIFPVBQESA-N 1 1 301.372 -1.038 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001389801269 923683238 /nfs/dbraw/zinc/68/32/38/923683238.db2.gz IUOMXVPVRSQZMG-JTQLQIEISA-N 1 1 323.357 -1.617 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001389801269 923683247 /nfs/dbraw/zinc/68/32/47/923683247.db2.gz IUOMXVPVRSQZMG-JTQLQIEISA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001389817187 923684331 /nfs/dbraw/zinc/68/43/31/923684331.db2.gz IEHOQRGHTUEGEZ-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001389857403 923690234 /nfs/dbraw/zinc/69/02/34/923690234.db2.gz RWCGGSLXRDREIV-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001389860354 923691076 /nfs/dbraw/zinc/69/10/76/923691076.db2.gz ZRHMHCYQHBYIAL-KYZUINATSA-N 1 1 310.362 -1.734 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001389865320 923692006 /nfs/dbraw/zinc/69/20/06/923692006.db2.gz ISKXDHSAIGKOLD-UHFFFAOYSA-N 1 1 324.385 -1.100 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001389895451 923695526 /nfs/dbraw/zinc/69/55/26/923695526.db2.gz KBKFDZRDXKOQLD-QWRGUYRKSA-N 1 1 323.397 -1.083 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001389910922 923695827 /nfs/dbraw/zinc/69/58/27/923695827.db2.gz ZMDMDFAFWHZRQF-JTQLQIEISA-N 1 1 320.353 -1.362 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001389907773 923696050 /nfs/dbraw/zinc/69/60/50/923696050.db2.gz OKWDMULTXQOWOP-UHFFFAOYSA-N 1 1 308.342 -1.375 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001389916121 923696660 /nfs/dbraw/zinc/69/66/60/923696660.db2.gz RJQQKDWDHVRDFL-ZKCHVHJHSA-N 1 1 319.412 -1.176 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001389897668 923696923 /nfs/dbraw/zinc/69/69/23/923696923.db2.gz RECZSUXEDVTALE-LBPRGKRZSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001389897668 923696935 /nfs/dbraw/zinc/69/69/35/923696935.db2.gz RECZSUXEDVTALE-LBPRGKRZSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1)NC(N)=O ZINC001389977169 923704965 /nfs/dbraw/zinc/70/49/65/923704965.db2.gz TZFYTKTZEKTASE-AATLWQCWSA-N 1 1 324.389 -1.045 20 0 DAADMO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001389977225 923705600 /nfs/dbraw/zinc/70/56/00/923705600.db2.gz TZFYTKTZEKTASE-QCLAVDOMSA-N 1 1 324.389 -1.045 20 0 DAADMO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)S(C)(=O)=O ZINC001389977935 923706278 /nfs/dbraw/zinc/70/62/78/923706278.db2.gz METYGPKYTCKTEM-DTORHVGOSA-N 1 1 317.371 -1.302 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001390008046 923707151 /nfs/dbraw/zinc/70/71/51/923707151.db2.gz SNWXROXLNNYMLT-DTORHVGOSA-N 1 1 317.371 -1.302 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001390030035 923710821 /nfs/dbraw/zinc/71/08/21/923710821.db2.gz FEYAEYMCBJFZNS-SDDRHHMPSA-N 1 1 316.402 -1.121 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001390027203 923711898 /nfs/dbraw/zinc/71/18/98/923711898.db2.gz AMAMUFTYMGYLTC-WDEREUQCSA-N 1 1 324.385 -1.716 20 0 DAADMO COC(=O)NCC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390021713 923712194 /nfs/dbraw/zinc/71/21/94/923712194.db2.gz APTJJCKAQCPKKV-JTQLQIEISA-N 1 1 312.370 -1.037 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001390037043 923714966 /nfs/dbraw/zinc/71/49/66/923714966.db2.gz LYKTVBYIEPBPJA-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001390106651 923720352 /nfs/dbraw/zinc/72/03/52/923720352.db2.gz MNMCROBCKJDAIB-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001390106651 923720364 /nfs/dbraw/zinc/72/03/64/923720364.db2.gz MNMCROBCKJDAIB-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)S(C)(=O)=O ZINC001390208820 923721799 /nfs/dbraw/zinc/72/17/99/923721799.db2.gz JHEDLZPDBXDYOJ-LVEVGFFFSA-N 1 1 320.411 -1.527 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)S(C)(=O)=O ZINC001390208820 923721809 /nfs/dbraw/zinc/72/18/09/923721809.db2.gz JHEDLZPDBXDYOJ-LVEVGFFFSA-N 1 1 320.411 -1.527 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001390194208 923721953 /nfs/dbraw/zinc/72/19/53/923721953.db2.gz LQFDTQCAIGXNJB-SSKLVLDBSA-N 1 1 311.382 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001390194205 923722227 /nfs/dbraw/zinc/72/22/27/923722227.db2.gz LQFDTQCAIGXNJB-MOWSAHLDSA-N 1 1 311.382 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)S(C)(=O)=O ZINC001390208809 923722911 /nfs/dbraw/zinc/72/29/11/923722911.db2.gz JHEDLZPDBXDYOJ-JCIQBVFBSA-N 1 1 320.411 -1.527 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)S(C)(=O)=O ZINC001390208809 923722920 /nfs/dbraw/zinc/72/29/20/923722920.db2.gz JHEDLZPDBXDYOJ-JCIQBVFBSA-N 1 1 320.411 -1.527 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184069 923723193 /nfs/dbraw/zinc/72/31/93/923723193.db2.gz JSMXKTNZRGQPFQ-DSPMHBFJSA-N 1 1 310.354 -1.347 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184069 923723208 /nfs/dbraw/zinc/72/32/08/923723208.db2.gz JSMXKTNZRGQPFQ-DSPMHBFJSA-N 1 1 310.354 -1.347 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001390223598 923724957 /nfs/dbraw/zinc/72/49/57/923724957.db2.gz IKNNHIGJZCNEPC-FHUSYTEZSA-N 1 1 311.382 -1.075 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1cc[nH+]c1C ZINC001390223371 923726205 /nfs/dbraw/zinc/72/62/05/923726205.db2.gz AZGCORXKYHSYOZ-NSHDSACASA-N 1 1 320.357 -1.111 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1cc[nH+]c1C ZINC001390223364 923726422 /nfs/dbraw/zinc/72/64/22/923726422.db2.gz AZGCORXKYHSYOZ-LLVKDONJSA-N 1 1 320.357 -1.111 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001390307011 923729257 /nfs/dbraw/zinc/72/92/57/923729257.db2.gz JSEUPGNBTPJUMI-NXEZZACHSA-N 1 1 322.369 -1.319 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001390386116 923732205 /nfs/dbraw/zinc/73/22/05/923732205.db2.gz VJJWCHFGOADDLT-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001390362148 923733023 /nfs/dbraw/zinc/73/30/23/923733023.db2.gz MSPYBFDUQKHQOY-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ncnn1C ZINC001390398264 923735870 /nfs/dbraw/zinc/73/58/70/923735870.db2.gz KKDYENATAIIOSA-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnns1 ZINC001390402303 923736761 /nfs/dbraw/zinc/73/67/61/923736761.db2.gz FEBBCBFIJCIMCZ-MRVPVSSYSA-N 1 1 311.371 -1.272 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001390414623 923738546 /nfs/dbraw/zinc/73/85/46/923738546.db2.gz LOSOFRPHGHBUSK-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001390413650 923739037 /nfs/dbraw/zinc/73/90/37/923739037.db2.gz WZSFKWBHJIHMDJ-DZGCQCFKSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001390413660 923739200 /nfs/dbraw/zinc/73/92/00/923739200.db2.gz WZSFKWBHJIHMDJ-ZFWWWQNUSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnnn1C1CC1 ZINC001390458677 923742931 /nfs/dbraw/zinc/74/29/31/923742931.db2.gz FQGNWWPZZBXFES-QMMMGPOBSA-N 1 1 318.341 -1.001 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001390453744 923743296 /nfs/dbraw/zinc/74/32/96/923743296.db2.gz ALHBVVZGTSHOIH-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001390453748 923743618 /nfs/dbraw/zinc/74/36/18/923743618.db2.gz ALHBVVZGTSHOIH-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+][C@@H](C)c1nnnn1C ZINC001390457024 923744189 /nfs/dbraw/zinc/74/41/89/923744189.db2.gz BICKRABSUSFEJM-YUMQZZPRSA-N 1 1 306.330 -1.238 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001390453751 923744559 /nfs/dbraw/zinc/74/45/59/923744559.db2.gz ALHBVVZGTSHOIH-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nccn1C ZINC001390465580 923746456 /nfs/dbraw/zinc/74/64/56/923746456.db2.gz ZUIRLVFNJHYAJM-NSHDSACASA-N 1 1 308.386 -1.554 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1nncn1C ZINC001390466454 923746610 /nfs/dbraw/zinc/74/66/10/923746610.db2.gz OQIXQOQSCWUYRB-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO CC[C@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)CNC(N)=O ZINC001390469634 923747414 /nfs/dbraw/zinc/74/74/14/923747414.db2.gz DZDIIHCHKUBCSS-SNVBAGLBSA-N 1 1 310.358 -1.129 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001390465111 923747779 /nfs/dbraw/zinc/74/77/79/923747779.db2.gz LPQPBEKJSDJCPL-DTWKUNHWSA-N 1 1 310.362 -1.641 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001390462870 923748578 /nfs/dbraw/zinc/74/85/78/923748578.db2.gz UAQUPRRHGRIJAX-VIFPVBQESA-N 1 1 309.374 -1.861 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001390517815 923750389 /nfs/dbraw/zinc/75/03/89/923750389.db2.gz ZPANGEXMCCSKQB-VIFPVBQESA-N 1 1 318.341 -1.130 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001390503203 923752105 /nfs/dbraw/zinc/75/21/05/923752105.db2.gz DWUZXAPSIPHLEH-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1nnnn1C ZINC001390510256 923752702 /nfs/dbraw/zinc/75/27/02/923752702.db2.gz PDTCGYDXDNGZAR-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ncccn1 ZINC001390521098 923752748 /nfs/dbraw/zinc/75/27/48/923752748.db2.gz IAGAPRQAJGPDAH-SNVBAGLBSA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001390545411 923754761 /nfs/dbraw/zinc/75/47/61/923754761.db2.gz SZJZGHLMOJEWHV-SECBINFHSA-N 1 1 307.362 -1.434 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001390624490 923765151 /nfs/dbraw/zinc/76/51/51/923765151.db2.gz RTVJPKVMTBPVIE-TUAOUCFPSA-N 1 1 316.402 -1.027 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001390635319 923766230 /nfs/dbraw/zinc/76/62/30/923766230.db2.gz GTFJQPDNEYBQAD-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001390635316 923767447 /nfs/dbraw/zinc/76/74/47/923767447.db2.gz GTFJQPDNEYBQAD-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001390738394 923772403 /nfs/dbraw/zinc/77/24/03/923772403.db2.gz XPICZISFMDOVNT-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001390738394 923772419 /nfs/dbraw/zinc/77/24/19/923772419.db2.gz XPICZISFMDOVNT-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390753667 923772862 /nfs/dbraw/zinc/77/28/62/923772862.db2.gz IYLDSWCFDHWNDU-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390753667 923772872 /nfs/dbraw/zinc/77/28/72/923772872.db2.gz IYLDSWCFDHWNDU-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnnn1C ZINC001390754253 923773038 /nfs/dbraw/zinc/77/30/38/923773038.db2.gz KBRULZRKSCAAPS-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001390754253 923773049 /nfs/dbraw/zinc/77/30/49/923773049.db2.gz KBRULZRKSCAAPS-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749647 923773580 /nfs/dbraw/zinc/77/35/80/923773580.db2.gz TZCCIIZXCDEPBI-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749647 923773587 /nfs/dbraw/zinc/77/35/87/923773587.db2.gz TZCCIIZXCDEPBI-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758581 923774004 /nfs/dbraw/zinc/77/40/04/923774004.db2.gz QKEBKXJIMSPWLS-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758581 923774015 /nfs/dbraw/zinc/77/40/15/923774015.db2.gz QKEBKXJIMSPWLS-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001390761883 923776581 /nfs/dbraw/zinc/77/65/81/923776581.db2.gz QKOIQIVZRRBKHO-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001390761883 923776594 /nfs/dbraw/zinc/77/65/94/923776594.db2.gz QKOIQIVZRRBKHO-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001390779554 923778922 /nfs/dbraw/zinc/77/89/22/923778922.db2.gz IYULDHOEPOIWEA-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001390779554 923778929 /nfs/dbraw/zinc/77/89/29/923778929.db2.gz IYULDHOEPOIWEA-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001390762844 923779186 /nfs/dbraw/zinc/77/91/86/923779186.db2.gz SVQCRXCUMYKBEU-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001390762844 923779196 /nfs/dbraw/zinc/77/91/96/923779196.db2.gz SVQCRXCUMYKBEU-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001390794415 923780221 /nfs/dbraw/zinc/78/02/21/923780221.db2.gz NGZWJOYUOUMETP-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001390794415 923780239 /nfs/dbraw/zinc/78/02/39/923780239.db2.gz NGZWJOYUOUMETP-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810076 923781817 /nfs/dbraw/zinc/78/18/17/923781817.db2.gz VGGICNNAXRSQTH-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810076 923781829 /nfs/dbraw/zinc/78/18/29/923781829.db2.gz VGGICNNAXRSQTH-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@H]2CCc3ncnn32)NC1=O ZINC001390795110 923782128 /nfs/dbraw/zinc/78/21/28/923782128.db2.gz CFESXXUUUGZUIV-GHMZBOCLSA-N 1 1 321.385 -1.163 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001390801797 923783041 /nfs/dbraw/zinc/78/30/41/923783041.db2.gz YLXXJQXIXDONMG-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001390801797 923783047 /nfs/dbraw/zinc/78/30/47/923783047.db2.gz YLXXJQXIXDONMG-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC ZINC001390783388 923783281 /nfs/dbraw/zinc/78/32/81/923783281.db2.gz NIOWJHRAMUYTLH-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390817800 923784060 /nfs/dbraw/zinc/78/40/60/923784060.db2.gz ILHDIRSGBCSVEI-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390817800 923784068 /nfs/dbraw/zinc/78/40/68/923784068.db2.gz ILHDIRSGBCSVEI-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001390818043 923784637 /nfs/dbraw/zinc/78/46/37/923784637.db2.gz JWDQTTHMNSPHEN-JTQLQIEISA-N 1 1 315.374 -1.595 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001390818043 923784651 /nfs/dbraw/zinc/78/46/51/923784651.db2.gz JWDQTTHMNSPHEN-JTQLQIEISA-N 1 1 315.374 -1.595 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001390845976 923784829 /nfs/dbraw/zinc/78/48/29/923784829.db2.gz HQWLHBPQGYPSKS-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001390845976 923784842 /nfs/dbraw/zinc/78/48/42/923784842.db2.gz HQWLHBPQGYPSKS-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO COc1cncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)n1 ZINC001390823162 923785430 /nfs/dbraw/zinc/78/54/30/923785430.db2.gz BHKHWVAYUQKNDU-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)n1 ZINC001390823162 923785438 /nfs/dbraw/zinc/78/54/38/923785438.db2.gz BHKHWVAYUQKNDU-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cnn(C)n1)S(C)(=O)=O ZINC001390832878 923785749 /nfs/dbraw/zinc/78/57/49/923785749.db2.gz WSRQFAYDCYPJON-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cnn(C)n1)S(C)(=O)=O ZINC001390832878 923785754 /nfs/dbraw/zinc/78/57/54/923785754.db2.gz WSRQFAYDCYPJON-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nc[nH]n1)C[C@@H]1CCS(=O)(=O)C1 ZINC001390838785 923786436 /nfs/dbraw/zinc/78/64/36/923786436.db2.gz BRLOVICFEIZKOH-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)C[C@@H]1CCS(=O)(=O)C1 ZINC001390838785 923786451 /nfs/dbraw/zinc/78/64/51/923786451.db2.gz BRLOVICFEIZKOH-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001390845872 923786716 /nfs/dbraw/zinc/78/67/16/923786716.db2.gz PRNHBLCTYMEIRR-RKDXNWHRSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001390845872 923786727 /nfs/dbraw/zinc/78/67/27/923786727.db2.gz PRNHBLCTYMEIRR-RKDXNWHRSA-N 1 1 301.391 -1.009 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001390853820 923787998 /nfs/dbraw/zinc/78/79/98/923787998.db2.gz ULJJFERVAJQSHN-SNVBAGLBSA-N 1 1 312.374 -1.798 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001390853820 923788009 /nfs/dbraw/zinc/78/80/09/923788009.db2.gz ULJJFERVAJQSHN-SNVBAGLBSA-N 1 1 312.374 -1.798 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001390864590 923789414 /nfs/dbraw/zinc/78/94/14/923789414.db2.gz PEKJUGYQLVGERY-SNVBAGLBSA-N 1 1 300.359 -1.607 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CCn1cccn1 ZINC001390862681 923789930 /nfs/dbraw/zinc/78/99/30/923789930.db2.gz VDUJFQYKWSSMFQ-LLVKDONJSA-N 1 1 315.399 -1.377 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)ccc1=O ZINC001390851326 923790989 /nfs/dbraw/zinc/79/09/89/923790989.db2.gz FVWMFIKRTLPTNB-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)ccc1=O ZINC001390851326 923790999 /nfs/dbraw/zinc/79/09/99/923790999.db2.gz FVWMFIKRTLPTNB-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO CC[N@H+](CCNC(=O)CC1OCCCO1)CC(=O)NC(N)=O ZINC001390902201 923792112 /nfs/dbraw/zinc/79/21/12/923792112.db2.gz LNXMOAKQJUNNMC-UHFFFAOYSA-N 1 1 316.358 -1.228 20 0 DAADMO CC[N@@H+](CCNC(=O)CC1OCCCO1)CC(=O)NC(N)=O ZINC001390902201 923792118 /nfs/dbraw/zinc/79/21/18/923792118.db2.gz LNXMOAKQJUNNMC-UHFFFAOYSA-N 1 1 316.358 -1.228 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H]1CCOC1 ZINC001390950912 923792289 /nfs/dbraw/zinc/79/22/89/923792289.db2.gz FWNJNMBOJJTQCD-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CC[N@H+](CCCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390951200 923792871 /nfs/dbraw/zinc/79/28/71/923792871.db2.gz FJPGVOUQOQNLJU-JTQLQIEISA-N 1 1 321.399 -2.280 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390951200 923792880 /nfs/dbraw/zinc/79/28/80/923792880.db2.gz FJPGVOUQOQNLJU-JTQLQIEISA-N 1 1 321.399 -2.280 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnnn1C)CCNS(C)(=O)=O ZINC001390890530 923793313 /nfs/dbraw/zinc/79/33/13/923793313.db2.gz DBLSBWPKKOROFG-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnnn1C)CCNS(C)(=O)=O ZINC001390890530 923793331 /nfs/dbraw/zinc/79/33/31/923793331.db2.gz DBLSBWPKKOROFG-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC(N)=O ZINC001390900158 923795482 /nfs/dbraw/zinc/79/54/82/923795482.db2.gz JWUHDVDFHVFALS-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC(N)=O ZINC001390900158 923795488 /nfs/dbraw/zinc/79/54/88/923795488.db2.gz JWUHDVDFHVFALS-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1nonc1C ZINC001390876106 923795588 /nfs/dbraw/zinc/79/55/88/923795588.db2.gz SHJGJKLLZNSLFM-UHFFFAOYSA-N 1 1 312.330 -1.115 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1nonc1C ZINC001390876106 923795599 /nfs/dbraw/zinc/79/55/99/923795599.db2.gz SHJGJKLLZNSLFM-UHFFFAOYSA-N 1 1 312.330 -1.115 20 0 DAADMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)CC)[C@H]1CCNC1=O ZINC001390914704 923795866 /nfs/dbraw/zinc/79/58/66/923795866.db2.gz IDRPDHSFWMDUKG-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnnn1)[C@H](C)C(=O)N(C)C ZINC001390989635 923797404 /nfs/dbraw/zinc/79/74/04/923797404.db2.gz PTMLXYPRAZBMGP-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@H](C)C(=O)N(C)C ZINC001390989635 923797417 /nfs/dbraw/zinc/79/74/17/923797417.db2.gz PTMLXYPRAZBMGP-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001391066465 923800264 /nfs/dbraw/zinc/80/02/64/923800264.db2.gz JBJRWTJNSSETBG-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001391066465 923800281 /nfs/dbraw/zinc/80/02/81/923800281.db2.gz JBJRWTJNSSETBG-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001391066463 923801319 /nfs/dbraw/zinc/80/13/19/923801319.db2.gz JBJRWTJNSSETBG-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001391066463 923801329 /nfs/dbraw/zinc/80/13/29/923801329.db2.gz JBJRWTJNSSETBG-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(N)=O ZINC001391072259 923801945 /nfs/dbraw/zinc/80/19/45/923801945.db2.gz BWTIZOQPVTZAIW-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001391087175 923802107 /nfs/dbraw/zinc/80/21/07/923802107.db2.gz UFSFJMQIBBXUSC-LLVKDONJSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001391049803 923802567 /nfs/dbraw/zinc/80/25/67/923802567.db2.gz SXGDXADDFCVJJT-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001391049803 923802577 /nfs/dbraw/zinc/80/25/77/923802577.db2.gz SXGDXADDFCVJJT-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053043 923802732 /nfs/dbraw/zinc/80/27/32/923802732.db2.gz TXXRNKBOBBZSLX-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053043 923802741 /nfs/dbraw/zinc/80/27/41/923802741.db2.gz TXXRNKBOBBZSLX-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001391080464 923803214 /nfs/dbraw/zinc/80/32/14/923803214.db2.gz GDADBDJHVGEFHE-LLVKDONJSA-N 1 1 307.358 -1.657 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001391094264 923804773 /nfs/dbraw/zinc/80/47/73/923804773.db2.gz FUAXFDHETXRPIO-SNVBAGLBSA-N 1 1 322.369 -1.404 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001391094064 923805083 /nfs/dbraw/zinc/80/50/83/923805083.db2.gz FEYBIYNSMXSPNZ-IUCAKERBSA-N 1 1 323.357 -1.550 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001391100085 923805135 /nfs/dbraw/zinc/80/51/35/923805135.db2.gz NMTLVADQBMZNLI-WDEREUQCSA-N 1 1 324.385 -1.716 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)n1 ZINC001391088732 923805284 /nfs/dbraw/zinc/80/52/84/923805284.db2.gz XJPGTWYNKJXXGR-JTQLQIEISA-N 1 1 310.358 -1.803 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001391095257 923805343 /nfs/dbraw/zinc/80/53/43/923805343.db2.gz HNHYSBXSFLZVIK-VXGBXAGGSA-N 1 1 316.402 -1.249 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001391115311 923805944 /nfs/dbraw/zinc/80/59/44/923805944.db2.gz VSQAFDKQOPGPEO-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cccn2)C1 ZINC001391087700 923806646 /nfs/dbraw/zinc/80/66/46/923806646.db2.gz MPMVTEPTAGWHET-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)OC)C1 ZINC001391089040 923806973 /nfs/dbraw/zinc/80/69/73/923806973.db2.gz QCUUAMWKJZNELB-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001391157276 923809784 /nfs/dbraw/zinc/80/97/84/923809784.db2.gz RCLNJKUTNOSBCJ-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001391157276 923809792 /nfs/dbraw/zinc/80/97/92/923809792.db2.gz RCLNJKUTNOSBCJ-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001391157293 923809809 /nfs/dbraw/zinc/80/98/09/923809809.db2.gz RCLNJKUTNOSBCJ-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001391157293 923809818 /nfs/dbraw/zinc/80/98/18/923809818.db2.gz RCLNJKUTNOSBCJ-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001391158302 923810714 /nfs/dbraw/zinc/81/07/14/923810714.db2.gz YBAKTAKPTSLYRO-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001391158302 923810722 /nfs/dbraw/zinc/81/07/22/923810722.db2.gz YBAKTAKPTSLYRO-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCN(C)C1=O ZINC001391128015 923810778 /nfs/dbraw/zinc/81/07/78/923810778.db2.gz QDHPOZXCYQNXKO-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001391150264 923811014 /nfs/dbraw/zinc/81/10/14/923811014.db2.gz PULHRBUKQXJIMG-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001391150264 923811027 /nfs/dbraw/zinc/81/10/27/923811027.db2.gz PULHRBUKQXJIMG-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001391172384 923812651 /nfs/dbraw/zinc/81/26/51/923812651.db2.gz JYQYRTKLMUIPCM-IAZYJMLFSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001391172384 923812661 /nfs/dbraw/zinc/81/26/61/923812661.db2.gz JYQYRTKLMUIPCM-IAZYJMLFSA-N 1 1 310.354 -1.346 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](CCCO)C2CC2)c1=O ZINC001391168240 923813519 /nfs/dbraw/zinc/81/35/19/923813519.db2.gz RBLNCZZPBJLHND-UHFFFAOYSA-N 1 1 324.381 -1.490 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391258699 923822883 /nfs/dbraw/zinc/82/28/83/923822883.db2.gz GSIBWPYCNXRXNU-WDEREUQCSA-N 1 1 309.374 -1.507 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001391253333 923823416 /nfs/dbraw/zinc/82/34/16/923823416.db2.gz GZVYMWPPQGUSEL-PHIMTYICSA-N 1 1 320.415 -1.950 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001391312830 923825117 /nfs/dbraw/zinc/82/51/17/923825117.db2.gz AGNFUFYISPRSMH-JQWIXIFHSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001391321335 923825147 /nfs/dbraw/zinc/82/51/47/923825147.db2.gz YTQNUKMCFRZNTM-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001391321335 923825156 /nfs/dbraw/zinc/82/51/56/923825156.db2.gz YTQNUKMCFRZNTM-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)c3nnn(C)n3)C2)nn1 ZINC001391318127 923825250 /nfs/dbraw/zinc/82/52/50/923825250.db2.gz JZZROSJBMXOMGR-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)c3nnn(C)n3)C2)nn1 ZINC001391318127 923825263 /nfs/dbraw/zinc/82/52/63/923825263.db2.gz JZZROSJBMXOMGR-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001391330214 923826777 /nfs/dbraw/zinc/82/67/77/923826777.db2.gz DARFFBWPRXUXGM-SNVBAGLBSA-N 1 1 309.370 -1.349 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391346268 923829012 /nfs/dbraw/zinc/82/90/12/923829012.db2.gz BMRIICJWVRRDTF-WDEREUQCSA-N 1 1 309.374 -1.283 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391373460 923829796 /nfs/dbraw/zinc/82/97/96/923829796.db2.gz HYCDSGVQLAHSJB-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391373460 923829805 /nfs/dbraw/zinc/82/98/05/923829805.db2.gz HYCDSGVQLAHSJB-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCOCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001391344080 923830171 /nfs/dbraw/zinc/83/01/71/923830171.db2.gz PREBVLZSEIEEQG-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001391350945 923830319 /nfs/dbraw/zinc/83/03/19/923830319.db2.gz BNHWPDWLKDMNJC-QMMMGPOBSA-N 1 1 324.345 -2.201 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001391386635 923833380 /nfs/dbraw/zinc/83/33/80/923833380.db2.gz FNOMQGMZJWSIHI-SRVKXCTJSA-N 1 1 314.386 -1.402 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(CCNS(C)(=O)=O)C1)C1CCC1 ZINC001391421762 923835943 /nfs/dbraw/zinc/83/59/43/923835943.db2.gz GXGZAPCDDFLGPP-UHFFFAOYSA-N 1 1 318.443 -1.180 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001391451759 923839750 /nfs/dbraw/zinc/83/97/50/923839750.db2.gz YBKLTHFEPRGIDT-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391449256 923841089 /nfs/dbraw/zinc/84/10/89/923841089.db2.gz RRCNJMSPABCONY-VIFPVBQESA-N 1 1 308.404 -1.782 20 0 DAADMO CCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001391466542 923843952 /nfs/dbraw/zinc/84/39/52/923843952.db2.gz HDOMCSMKYMFVJT-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001391488400 923846918 /nfs/dbraw/zinc/84/69/18/923846918.db2.gz GOJZHPMYNFGEHA-LLVKDONJSA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001391491862 923847773 /nfs/dbraw/zinc/84/77/73/923847773.db2.gz HEOHREYXSARWIZ-LBPRGKRZSA-N 1 1 323.397 -2.255 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001391509519 923850271 /nfs/dbraw/zinc/85/02/71/923850271.db2.gz HQCVGEZIKXTHJP-LBPRGKRZSA-N 1 1 319.369 -1.347 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1C[NH+](Cc2cnn(C)c2)C1 ZINC001391525052 923853372 /nfs/dbraw/zinc/85/33/72/923853372.db2.gz YTVCUNSPLQPRPR-UHFFFAOYSA-N 1 1 315.399 -1.483 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)NC1 ZINC001391537202 923853638 /nfs/dbraw/zinc/85/36/38/923853638.db2.gz OIKFOWIJSSFLCC-MROQNXINSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391544891 923855225 /nfs/dbraw/zinc/85/52/25/923855225.db2.gz NCWHZQGXLCFDDR-OUAUKWLOSA-N 1 1 302.375 -1.369 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001391547015 923856391 /nfs/dbraw/zinc/85/63/91/923856391.db2.gz YBVSBULIJWGXPY-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001391547015 923856400 /nfs/dbraw/zinc/85/64/00/923856400.db2.gz YBVSBULIJWGXPY-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001391542236 923856749 /nfs/dbraw/zinc/85/67/49/923856749.db2.gz WONFSWSJFJQYRH-QWRGUYRKSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391574975 923859215 /nfs/dbraw/zinc/85/92/15/923859215.db2.gz ASWXVVDBFYMZKN-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391574975 923859226 /nfs/dbraw/zinc/85/92/26/923859226.db2.gz ASWXVVDBFYMZKN-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1)C(N)=O ZINC001391562561 923861080 /nfs/dbraw/zinc/86/10/80/923861080.db2.gz UHEDQEGRDJVCEU-MIMYLULJSA-N 1 1 300.359 -2.062 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001391592652 923861101 /nfs/dbraw/zinc/86/11/01/923861101.db2.gz ILWRVFGBDJBCCY-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001391561515 923861125 /nfs/dbraw/zinc/86/11/25/923861125.db2.gz BLTSTDJSTJTORO-LBPRGKRZSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001391561515 923861129 /nfs/dbraw/zinc/86/11/29/923861129.db2.gz BLTSTDJSTJTORO-LBPRGKRZSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001391561515 923861136 /nfs/dbraw/zinc/86/11/36/923861136.db2.gz BLTSTDJSTJTORO-LBPRGKRZSA-N 1 1 321.385 -1.047 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001391565220 923861216 /nfs/dbraw/zinc/86/12/16/923861216.db2.gz WCOHASBMYOXGEO-NSHDSACASA-N 1 1 315.399 -1.377 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001391582607 923861347 /nfs/dbraw/zinc/86/13/47/923861347.db2.gz YAYZDJCEXWZCQO-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001391582607 923861351 /nfs/dbraw/zinc/86/13/51/923861351.db2.gz YAYZDJCEXWZCQO-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391564588 923861433 /nfs/dbraw/zinc/86/14/33/923861433.db2.gz KPYZGEYTPBZGPJ-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CN(C(=O)CCn1ccnn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391610695 923863835 /nfs/dbraw/zinc/86/38/35/923863835.db2.gz BEAHTBALESVRJG-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO CN(C(=O)CCn1ccnn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391610695 923863847 /nfs/dbraw/zinc/86/38/47/923863847.db2.gz BEAHTBALESVRJG-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622765 923864000 /nfs/dbraw/zinc/86/40/00/923864000.db2.gz UTQGMASJTWHFLD-UWVGGRQHSA-N 1 1 320.415 -1.716 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622765 923864011 /nfs/dbraw/zinc/86/40/11/923864011.db2.gz UTQGMASJTWHFLD-UWVGGRQHSA-N 1 1 320.415 -1.716 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)NC)C1 ZINC001391611661 923864634 /nfs/dbraw/zinc/86/46/34/923864634.db2.gz MRDSLCRSLPEWRR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)NC)C1 ZINC001391611661 923864642 /nfs/dbraw/zinc/86/46/42/923864642.db2.gz MRDSLCRSLPEWRR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001391614834 923865270 /nfs/dbraw/zinc/86/52/70/923865270.db2.gz ZSYLLMSGADDBJR-NSHDSACASA-N 1 1 300.359 -2.236 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001391615808 923865367 /nfs/dbraw/zinc/86/53/67/923865367.db2.gz AVVBEZKDWAVQQS-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608019 923865700 /nfs/dbraw/zinc/86/57/00/923865700.db2.gz UKYCTPLSXHAFAP-DTWKUNHWSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608019 923865707 /nfs/dbraw/zinc/86/57/07/923865707.db2.gz UKYCTPLSXHAFAP-DTWKUNHWSA-N 1 1 324.345 -2.211 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001391613790 923865935 /nfs/dbraw/zinc/86/59/35/923865935.db2.gz PVCNKYHUKLJOGG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001391613790 923865950 /nfs/dbraw/zinc/86/59/50/923865950.db2.gz PVCNKYHUKLJOGG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001391627323 923867051 /nfs/dbraw/zinc/86/70/51/923867051.db2.gz CHWDRXRKOYROJQ-MNOVXSKESA-N 1 1 310.354 -1.077 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001391702190 923871469 /nfs/dbraw/zinc/87/14/69/923871469.db2.gz VFVXAUOWYCANIS-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001391715219 923871980 /nfs/dbraw/zinc/87/19/80/923871980.db2.gz JXIQBXZXDZCFGA-JTQLQIEISA-N 1 1 310.358 -1.514 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001391702192 923872507 /nfs/dbraw/zinc/87/25/07/923872507.db2.gz VFVXAUOWYCANIS-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1nnc(C)[nH]1 ZINC001391749504 923874028 /nfs/dbraw/zinc/87/40/28/923874028.db2.gz JMNXJBYYTGVPIJ-SECBINFHSA-N 1 1 318.403 -1.353 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1nnc(C)[nH]1 ZINC001391749505 923875216 /nfs/dbraw/zinc/87/52/16/923875216.db2.gz JMNXJBYYTGVPIJ-VIFPVBQESA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001391862602 923879813 /nfs/dbraw/zinc/87/98/13/923879813.db2.gz PKMZCPIBPUPTEF-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391940842 923887019 /nfs/dbraw/zinc/88/70/19/923887019.db2.gz WAVFGEVSKWRCBQ-KOLCDFICSA-N 1 1 311.390 -1.033 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCO1 ZINC001391989771 923898433 /nfs/dbraw/zinc/89/84/33/923898433.db2.gz LTHLYARLXLFYGN-CHWSQXEVSA-N 1 1 321.381 -1.103 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001391989893 923898538 /nfs/dbraw/zinc/89/85/38/923898538.db2.gz PDSVNQFDFMJOKF-RYUDHWBXSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001391989890 923898934 /nfs/dbraw/zinc/89/89/34/923898934.db2.gz PDSVNQFDFMJOKF-NWDGAFQWSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC001391993665 923901491 /nfs/dbraw/zinc/90/14/91/923901491.db2.gz VHHFVDPIUBNCLR-CMPLNLGQSA-N 1 1 309.370 -1.118 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392008890 923906271 /nfs/dbraw/zinc/90/62/71/923906271.db2.gz KEPXXOIZWQGUFZ-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392008890 923906289 /nfs/dbraw/zinc/90/62/89/923906289.db2.gz KEPXXOIZWQGUFZ-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392041463 923918854 /nfs/dbraw/zinc/91/88/54/923918854.db2.gz PSTPYFMOISHKJG-KOLCDFICSA-N 1 1 323.353 -1.929 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2nccnc2N)C1 ZINC001392044869 923918898 /nfs/dbraw/zinc/91/88/98/923918898.db2.gz XEOBCAFRFAAURW-ZJUUUORDSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CS(C)(=O)=O ZINC001392039992 923918956 /nfs/dbraw/zinc/91/89/56/923918956.db2.gz GXHHBZUVBFPHEY-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392041472 923919522 /nfs/dbraw/zinc/91/95/22/923919522.db2.gz PSTPYFMOISHKJG-MWLCHTKSSA-N 1 1 323.353 -1.929 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001392086267 923926016 /nfs/dbraw/zinc/92/60/16/923926016.db2.gz BYOCTZYACIVROS-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001392078510 923926411 /nfs/dbraw/zinc/92/64/11/923926411.db2.gz VGTFELPWBHPUEF-WDEREUQCSA-N 1 1 301.387 -1.308 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001392078505 923926679 /nfs/dbraw/zinc/92/66/79/923926679.db2.gz VGTFELPWBHPUEF-QWRGUYRKSA-N 1 1 301.387 -1.308 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001392091604 923929450 /nfs/dbraw/zinc/92/94/50/923929450.db2.gz DMOAHHFWBGJZAP-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001392094150 923929515 /nfs/dbraw/zinc/92/95/15/923929515.db2.gz SBGDCXNUOIAJTM-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO Cc1nccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392096270 923930166 /nfs/dbraw/zinc/93/01/66/923930166.db2.gz DBJDEQOBZVNRRW-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CN1CCCC1 ZINC001392096580 923930837 /nfs/dbraw/zinc/93/08/37/923930837.db2.gz FJWVETPYORDEDV-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CN1CCCC1 ZINC001392096580 923930853 /nfs/dbraw/zinc/93/08/53/923930853.db2.gz FJWVETPYORDEDV-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnon2)CC[N@H+]1C ZINC001392102447 923935930 /nfs/dbraw/zinc/93/59/30/923935930.db2.gz IQTKDULVUHBANT-KXUCPTDWSA-N 1 1 311.342 -1.383 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1)C1CCC1 ZINC001392133261 923940510 /nfs/dbraw/zinc/94/05/10/923940510.db2.gz PGBWFINOTLPPNH-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001392133261 923940518 /nfs/dbraw/zinc/94/05/18/923940518.db2.gz PGBWFINOTLPPNH-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001392133261 923940529 /nfs/dbraw/zinc/94/05/29/923940529.db2.gz PGBWFINOTLPPNH-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001392133261 923940539 /nfs/dbraw/zinc/94/05/39/923940539.db2.gz PGBWFINOTLPPNH-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001392133261 923940550 /nfs/dbraw/zinc/94/05/50/923940550.db2.gz PGBWFINOTLPPNH-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001392136065 923941122 /nfs/dbraw/zinc/94/11/22/923941122.db2.gz UPBHBSDLDXDDAR-QMMMGPOBSA-N 1 1 320.357 -1.113 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392140010 923941407 /nfs/dbraw/zinc/94/14/07/923941407.db2.gz FNOYAXJJTMEPHC-AVGNSLFASA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392157108 923943645 /nfs/dbraw/zinc/94/36/45/923943645.db2.gz ZGPAVJKIWXELHK-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392152157 923945151 /nfs/dbraw/zinc/94/51/51/923945151.db2.gz NQMIFOAZEVXKAE-MWLCHTKSSA-N 1 1 324.385 -1.338 20 0 DAADMO CC(C)[C@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001392212219 923950006 /nfs/dbraw/zinc/95/00/06/923950006.db2.gz RBJJXCYJIVRKLP-VIFPVBQESA-N 1 1 307.362 -1.117 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392262303 923951557 /nfs/dbraw/zinc/95/15/57/923951557.db2.gz CUUALAONELOKJW-SNVBAGLBSA-N 1 1 316.358 -1.752 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392262303 923951568 /nfs/dbraw/zinc/95/15/68/923951568.db2.gz CUUALAONELOKJW-SNVBAGLBSA-N 1 1 316.358 -1.752 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392262304 923951611 /nfs/dbraw/zinc/95/16/11/923951611.db2.gz CCLALJHOMQDLNA-MWLCHTKSSA-N 1 1 317.411 -1.254 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]([NH2+]Cc1cnon1)C(C)C ZINC001392253218 923951644 /nfs/dbraw/zinc/95/16/44/923951644.db2.gz NGRGHWLZYBFUTN-JTQLQIEISA-N 1 1 319.387 -1.151 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392266392 923953994 /nfs/dbraw/zinc/95/39/94/923953994.db2.gz YKIJGSQNCKNGOQ-VHSXEESVSA-N 1 1 316.358 -1.625 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392266392 923954003 /nfs/dbraw/zinc/95/40/03/923954003.db2.gz YKIJGSQNCKNGOQ-VHSXEESVSA-N 1 1 316.358 -1.625 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001392290876 923955039 /nfs/dbraw/zinc/95/50/39/923955039.db2.gz SJCCNPQQUJLYKP-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001392290876 923955051 /nfs/dbraw/zinc/95/50/51/923955051.db2.gz SJCCNPQQUJLYKP-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1COCCO1 ZINC001392263883 923956991 /nfs/dbraw/zinc/95/69/91/923956991.db2.gz NDNMKAMUGXETQA-NSHDSACASA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1COCCO1 ZINC001392263883 923957000 /nfs/dbraw/zinc/95/70/00/923957000.db2.gz NDNMKAMUGXETQA-NSHDSACASA-N 1 1 323.415 -1.659 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392266629 923957131 /nfs/dbraw/zinc/95/71/31/923957131.db2.gz YWMFHVOOIYKGPS-SECBINFHSA-N 1 1 315.374 -1.562 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392266629 923957144 /nfs/dbraw/zinc/95/71/44/923957144.db2.gz YWMFHVOOIYKGPS-SECBINFHSA-N 1 1 315.374 -1.562 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392267633 923957172 /nfs/dbraw/zinc/95/71/72/923957172.db2.gz GVFXTJFJRCEIMG-SCZZXKLOSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392267633 923957183 /nfs/dbraw/zinc/95/71/83/923957183.db2.gz GVFXTJFJRCEIMG-SCZZXKLOSA-N 1 1 311.342 -1.057 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cncnc1 ZINC001392292161 923957360 /nfs/dbraw/zinc/95/73/60/923957360.db2.gz GNILKHCODBAAAE-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cncnc1 ZINC001392292161 923957374 /nfs/dbraw/zinc/95/73/74/923957374.db2.gz GNILKHCODBAAAE-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@H]1CNC(=O)N1 ZINC001392300733 923958899 /nfs/dbraw/zinc/95/88/99/923958899.db2.gz ORMSCNXPUOQKTM-GHMZBOCLSA-N 1 1 321.385 -1.163 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001392293008 923959746 /nfs/dbraw/zinc/95/97/46/923959746.db2.gz SZJSCIJMIONCRD-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001392293008 923959750 /nfs/dbraw/zinc/95/97/50/923959750.db2.gz SZJSCIJMIONCRD-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO COCC1(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001392295574 923959793 /nfs/dbraw/zinc/95/97/93/923959793.db2.gz PPULVGMPEMPBPA-UHFFFAOYSA-N 1 1 300.359 -1.002 20 0 DAADMO COCC1(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001392295574 923959800 /nfs/dbraw/zinc/95/98/00/923959800.db2.gz PPULVGMPEMPBPA-UHFFFAOYSA-N 1 1 300.359 -1.002 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001392307791 923960038 /nfs/dbraw/zinc/96/00/38/923960038.db2.gz MPTRNZDZBCQTDH-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001392307791 923960042 /nfs/dbraw/zinc/96/00/42/923960042.db2.gz MPTRNZDZBCQTDH-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001392319896 923961641 /nfs/dbraw/zinc/96/16/41/923961641.db2.gz NNMBIMCZMISPAP-UHFFFAOYSA-N 1 1 309.374 -1.237 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001392333679 923961973 /nfs/dbraw/zinc/96/19/73/923961973.db2.gz PRFDJNHZQRFSBV-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnn(C)n1 ZINC001392314389 923963517 /nfs/dbraw/zinc/96/35/17/923963517.db2.gz NXXIKZMWOQBGFE-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnn(C)n1 ZINC001392314389 923963523 /nfs/dbraw/zinc/96/35/23/923963523.db2.gz NXXIKZMWOQBGFE-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1ncn2nccc2c1=O ZINC001392316046 923963983 /nfs/dbraw/zinc/96/39/83/923963983.db2.gz WNYNHIDGCMICGU-UHFFFAOYSA-N 1 1 308.342 -1.727 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)s1 ZINC001392346933 923965287 /nfs/dbraw/zinc/96/52/87/923965287.db2.gz WYKMMGMHKUBCMS-SECBINFHSA-N 1 1 315.399 -1.197 20 0 DAADMO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1)S(C)(=O)=O ZINC001392346862 923966834 /nfs/dbraw/zinc/96/68/34/923966834.db2.gz YUIUZZRYUYYHNJ-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1)S(C)(=O)=O ZINC001392346856 923966967 /nfs/dbraw/zinc/96/69/67/923966967.db2.gz YUIUZZRYUYYHNJ-NEPJUHHUSA-N 1 1 319.427 -1.207 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)n1C1CC1 ZINC001392341350 923967089 /nfs/dbraw/zinc/96/70/89/923967089.db2.gz LMZKHZVBECZLPM-LBPRGKRZSA-N 1 1 324.385 -1.376 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCn2cccn2)n1 ZINC001392350634 923968502 /nfs/dbraw/zinc/96/85/02/923968502.db2.gz PZPGHSYDZURHEL-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392352908 923969388 /nfs/dbraw/zinc/96/93/88/923969388.db2.gz ZJUHJBOVCHHOQS-SECBINFHSA-N 1 1 301.372 -1.417 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392358006 923972169 /nfs/dbraw/zinc/97/21/69/923972169.db2.gz AQJJJFCCEPKLPC-VHSXEESVSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1=COCCO1)c1nnnn1C ZINC001392356687 923973535 /nfs/dbraw/zinc/97/35/35/923973535.db2.gz ZMQTYCYWSPECJC-BDAKNGLRSA-N 1 1 312.330 -1.774 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)c(C)o1 ZINC001392364378 923976130 /nfs/dbraw/zinc/97/61/30/923976130.db2.gz XIKHSHXRPGFCTJ-SNVBAGLBSA-N 1 1 319.383 -1.097 20 0 DAADMO Nc1nccnc1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392363052 923976567 /nfs/dbraw/zinc/97/65/67/923976567.db2.gz JPYBUKNKMLPUGT-SECBINFHSA-N 1 1 303.326 -1.271 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392367453 923978009 /nfs/dbraw/zinc/97/80/09/923978009.db2.gz SHRZUQNRBKDHMH-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001392365743 923978041 /nfs/dbraw/zinc/97/80/41/923978041.db2.gz OCNUGOLUQIEEGN-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001392365031 923979025 /nfs/dbraw/zinc/97/90/25/923979025.db2.gz IJZNKZTVSKEQHN-NSHDSACASA-N 1 1 312.374 -2.286 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)nn1 ZINC001392367623 923979521 /nfs/dbraw/zinc/97/95/21/923979521.db2.gz MEUXWMTYUWPLHE-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)nn1 ZINC001392367624 923980227 /nfs/dbraw/zinc/98/02/27/923980227.db2.gz MEUXWMTYUWPLHE-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncnc1CNC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392368403 923981471 /nfs/dbraw/zinc/98/14/71/923981471.db2.gz VFWRMUKFOBQSAS-NWDGAFQWSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001392369941 923983158 /nfs/dbraw/zinc/98/31/58/923983158.db2.gz PQEGPPDGBILHNR-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001392368653 923983410 /nfs/dbraw/zinc/98/34/10/923983410.db2.gz WDXJMBLLIMGIKJ-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1CNC[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392370791 923983935 /nfs/dbraw/zinc/98/39/35/923983935.db2.gz AICRSPRWXNAOSM-NSHDSACASA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)[nH]1 ZINC001392374879 923985527 /nfs/dbraw/zinc/98/55/27/923985527.db2.gz MWVSYSFODOHONJ-UWVGGRQHSA-N 1 1 310.358 -1.794 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392373067 923986009 /nfs/dbraw/zinc/98/60/09/923986009.db2.gz KCZBIKRPXCGHPR-GFCCVEGCSA-N 1 1 321.385 -1.090 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)c(C)o1 ZINC001392373279 923986037 /nfs/dbraw/zinc/98/60/37/923986037.db2.gz IIFYAZCTUHATQY-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392373068 923987000 /nfs/dbraw/zinc/98/70/00/923987000.db2.gz KCZBIKRPXCGHPR-LBPRGKRZSA-N 1 1 321.385 -1.090 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001392378623 923988813 /nfs/dbraw/zinc/98/88/13/923988813.db2.gz KONSBKJLDNLSHK-SNVBAGLBSA-N 1 1 310.358 -1.719 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392378381 923989916 /nfs/dbraw/zinc/98/99/16/923989916.db2.gz OJGCSJAWADTQPZ-SCZZXKLOSA-N 1 1 312.374 -1.405 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001392379237 923991851 /nfs/dbraw/zinc/99/18/51/923991851.db2.gz DKZMCIODIKYSEF-SECBINFHSA-N 1 1 321.341 -1.326 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392379579 923993789 /nfs/dbraw/zinc/99/37/89/923993789.db2.gz YKHLJGHFXVJADS-NWDGAFQWSA-N 1 1 310.354 -1.151 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001392384866 923995653 /nfs/dbraw/zinc/99/56/53/923995653.db2.gz IDZZPSTUGYCKNZ-JTQLQIEISA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1ccnc1 ZINC001392385128 923996036 /nfs/dbraw/zinc/99/60/36/923996036.db2.gz BTOXXSACDZQZRN-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2cnn(C)c2C)[nH]1 ZINC001392385721 923997779 /nfs/dbraw/zinc/99/77/79/923997779.db2.gz YLWAIGXCFCWDTB-LBPRGKRZSA-N 1 1 321.385 -1.036 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001392387530 923997881 /nfs/dbraw/zinc/99/78/81/923997881.db2.gz MQWMHOZMARGBQX-VHSXEESVSA-N 1 1 312.374 -1.439 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)[nH]c1=O ZINC001392388354 923998723 /nfs/dbraw/zinc/99/87/23/923998723.db2.gz BQYAQGJNHMBACK-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cnn(C)c2C)[nH]1 ZINC001392385711 923999975 /nfs/dbraw/zinc/99/99/75/923999975.db2.gz YLWAIGXCFCWDTB-GFCCVEGCSA-N 1 1 321.385 -1.036 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2csc(=O)[nH]2)n1 ZINC001392387953 924000208 /nfs/dbraw/zinc/00/02/08/924000208.db2.gz BYMOJKKRSVFTPN-MRVPVSSYSA-N 1 1 312.355 -1.142 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1nnnn1C1CC1 ZINC001392389604 924001587 /nfs/dbraw/zinc/00/15/87/924001587.db2.gz IDTRPGLZGPQXTL-NWDGAFQWSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)n1 ZINC001392389994 924002663 /nfs/dbraw/zinc/00/26/63/924002663.db2.gz PIFWWFGIYRXZSP-FZMZJTMJSA-N 1 1 324.385 -1.702 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001392390977 924003393 /nfs/dbraw/zinc/00/33/93/924003393.db2.gz SZBBNORQQRSNBQ-SECBINFHSA-N 1 1 309.370 -1.333 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001392392022 924005539 /nfs/dbraw/zinc/00/55/39/924005539.db2.gz BWUPPPVZRDDESQ-WUHRBBMRSA-N 1 1 309.370 -1.243 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)nc1 ZINC001392392875 924005581 /nfs/dbraw/zinc/00/55/81/924005581.db2.gz VUAATMMGXBSOOB-SECBINFHSA-N 1 1 321.341 -1.208 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392394667 924007012 /nfs/dbraw/zinc/00/70/12/924007012.db2.gz SAYUISRJLAYOMJ-NSHDSACASA-N 1 1 322.369 -2.525 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)[nH]1 ZINC001392394017 924007738 /nfs/dbraw/zinc/00/77/38/924007738.db2.gz OYNSJOYMRFORGX-IINYFYTJSA-N 1 1 324.385 -1.404 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001392398864 924008361 /nfs/dbraw/zinc/00/83/61/924008361.db2.gz PCEMTIKTPNNDOP-IUCAKERBSA-N 1 1 311.346 -2.602 20 0 DAADMO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001392399742 924008981 /nfs/dbraw/zinc/00/89/81/924008981.db2.gz HGKICSCZSKZCJC-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnn[nH]1 ZINC001392399742 924008987 /nfs/dbraw/zinc/00/89/87/924008987.db2.gz HGKICSCZSKZCJC-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)nn1 ZINC001392406902 924015757 /nfs/dbraw/zinc/01/57/57/924015757.db2.gz FOHKYBCIOOHOHS-NSHDSACASA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccnnc1)c1nnnn1C ZINC001392411157 924021047 /nfs/dbraw/zinc/02/10/47/924021047.db2.gz YSBFOJMQDLQYIA-SCZZXKLOSA-N 1 1 306.330 -1.558 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001392422289 924023815 /nfs/dbraw/zinc/02/38/15/924023815.db2.gz HWBPQYAMDUTEDN-NWDGAFQWSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001392422289 924023820 /nfs/dbraw/zinc/02/38/20/924023820.db2.gz HWBPQYAMDUTEDN-NWDGAFQWSA-N 1 1 313.358 -1.643 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001392418339 924024084 /nfs/dbraw/zinc/02/40/84/924024084.db2.gz DHIAHWCRSKIVGW-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO Cn1nnnc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392417055 924024383 /nfs/dbraw/zinc/02/43/83/924024383.db2.gz BXOXBXVFJHNLKD-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001392424677 924027622 /nfs/dbraw/zinc/02/76/22/924027622.db2.gz LZLRWBFZQFQULW-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001392423333 924028483 /nfs/dbraw/zinc/02/84/83/924028483.db2.gz KTRCBEZTECITAJ-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001392429367 924031633 /nfs/dbraw/zinc/03/16/33/924031633.db2.gz TUFORZJFPIIIEI-NSHDSACASA-N 1 1 305.342 -1.287 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001392488141 924036065 /nfs/dbraw/zinc/03/60/65/924036065.db2.gz ANOOTEKRMUREPN-BDAKNGLRSA-N 1 1 322.373 -1.136 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CCS(C)(=O)=O ZINC001392488602 924038742 /nfs/dbraw/zinc/03/87/42/924038742.db2.gz FEMIAUCUPXLBJN-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001392507355 924040715 /nfs/dbraw/zinc/04/07/15/924040715.db2.gz XCMYDTDWEZJYHS-MRVPVSSYSA-N 1 1 318.341 -1.001 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001392511270 924043388 /nfs/dbraw/zinc/04/33/88/924043388.db2.gz FQCDRWMWWCEFNR-SFYZADRCSA-N 1 1 305.360 -1.398 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392520448 924044208 /nfs/dbraw/zinc/04/42/08/924044208.db2.gz WCUQVODMVOTKAV-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)c1nnn(C)n1 ZINC001392541864 924044684 /nfs/dbraw/zinc/04/46/84/924044684.db2.gz LSRSKKDEEUYYOY-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001392536679 924045273 /nfs/dbraw/zinc/04/52/73/924045273.db2.gz KSTXUNODGVLUSM-APPZFPTMSA-N 1 1 303.344 -1.644 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)C2CS(=O)(=O)C2)n1 ZINC001392562776 924048287 /nfs/dbraw/zinc/04/82/87/924048287.db2.gz SHBYRPIZAZZMCQ-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001392561792 924049211 /nfs/dbraw/zinc/04/92/11/924049211.db2.gz XREJNHPFGLHYSE-QMMMGPOBSA-N 1 1 305.360 -1.397 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1COC(=O)N1 ZINC001392558358 924050482 /nfs/dbraw/zinc/05/04/82/924050482.db2.gz UATXAQHOVIZURQ-IUCAKERBSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cc(=O)n(C)cn1 ZINC001392577399 924051481 /nfs/dbraw/zinc/05/14/81/924051481.db2.gz ZVDCVQCDDXTBDK-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)c1nnnn1C ZINC001392593950 924052638 /nfs/dbraw/zinc/05/26/38/924052638.db2.gz ZUZSCKCVNHZPKC-JGVFFNPUSA-N 1 1 306.330 -1.238 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392589047 924053047 /nfs/dbraw/zinc/05/30/47/924053047.db2.gz YIXSDNUGHDMQEI-CIUDSAMLSA-N 1 1 323.357 -1.432 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001392611992 924054695 /nfs/dbraw/zinc/05/46/95/924054695.db2.gz DTBNOZXFVQJVLQ-ZETCQYMHSA-N 1 1 321.341 -1.179 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CCn1cnnn1 ZINC001392599665 924054788 /nfs/dbraw/zinc/05/47/88/924054788.db2.gz CVIQJRKPKOSTTD-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ncn[nH]1 ZINC001392599821 924056366 /nfs/dbraw/zinc/05/63/66/924056366.db2.gz DCGVTQJVLSADRP-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)c1nc[nH]n1 ZINC001392599821 924056383 /nfs/dbraw/zinc/05/63/83/924056383.db2.gz DCGVTQJVLSADRP-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cn(C)nn1 ZINC001392642335 924057335 /nfs/dbraw/zinc/05/73/35/924057335.db2.gz RRHFADMVYFVJAC-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cn(C)nn1 ZINC001392642335 924057344 /nfs/dbraw/zinc/05/73/44/924057344.db2.gz RRHFADMVYFVJAC-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001392655155 924060792 /nfs/dbraw/zinc/06/07/92/924060792.db2.gz DOEWYIQIVCXBCL-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001392655155 924060798 /nfs/dbraw/zinc/06/07/98/924060798.db2.gz DOEWYIQIVCXBCL-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](C[N@H+](C)CCF)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001392657220 924061213 /nfs/dbraw/zinc/06/12/13/924061213.db2.gz DZJXIPJPPCHPFF-JTQLQIEISA-N 1 1 300.334 -1.047 20 0 DAADMO C[C@@H](C[N@@H+](C)CCF)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001392657220 924061231 /nfs/dbraw/zinc/06/12/31/924061231.db2.gz DZJXIPJPPCHPFF-JTQLQIEISA-N 1 1 300.334 -1.047 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653668 924061743 /nfs/dbraw/zinc/06/17/43/924061743.db2.gz GBURQPMPELVVIS-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653668 924061757 /nfs/dbraw/zinc/06/17/57/924061757.db2.gz GBURQPMPELVVIS-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001392655047 924062188 /nfs/dbraw/zinc/06/21/88/924062188.db2.gz DEUIJYZIRUBPRL-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001392655047 924062197 /nfs/dbraw/zinc/06/21/97/924062197.db2.gz DEUIJYZIRUBPRL-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)Cn1ncnn1 ZINC001392660741 924063385 /nfs/dbraw/zinc/06/33/85/924063385.db2.gz UYJMYZYFAVMEDQ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001392653865 924063412 /nfs/dbraw/zinc/06/34/12/924063412.db2.gz HIBVZKNMHZKOFB-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001392653865 924063425 /nfs/dbraw/zinc/06/34/25/924063425.db2.gz HIBVZKNMHZKOFB-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392676746 924064996 /nfs/dbraw/zinc/06/49/96/924064996.db2.gz KAXIOASZVMKEEM-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392676746 924065003 /nfs/dbraw/zinc/06/50/03/924065003.db2.gz KAXIOASZVMKEEM-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cncn1C ZINC001392673594 924067675 /nfs/dbraw/zinc/06/76/75/924067675.db2.gz MWLYRKPIUFITLF-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncn1C ZINC001392673594 924067682 /nfs/dbraw/zinc/06/76/82/924067682.db2.gz MWLYRKPIUFITLF-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cn[nH]c1 ZINC001392706560 924068825 /nfs/dbraw/zinc/06/88/25/924068825.db2.gz VGKHFOFXSQSEBX-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cn[nH]c1 ZINC001392706560 924068836 /nfs/dbraw/zinc/06/88/36/924068836.db2.gz VGKHFOFXSQSEBX-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716407 924069147 /nfs/dbraw/zinc/06/91/47/924069147.db2.gz LDGQYYYUQFHQIL-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716407 924069160 /nfs/dbraw/zinc/06/91/60/924069160.db2.gz LDGQYYYUQFHQIL-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cn[nH]c1 ZINC001392706562 924069978 /nfs/dbraw/zinc/06/99/78/924069978.db2.gz VGKHFOFXSQSEBX-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cn[nH]c1 ZINC001392706562 924069987 /nfs/dbraw/zinc/06/99/87/924069987.db2.gz VGKHFOFXSQSEBX-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716409 924070444 /nfs/dbraw/zinc/07/04/44/924070444.db2.gz LDGQYYYUQFHQIL-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716409 924070451 /nfs/dbraw/zinc/07/04/51/924070451.db2.gz LDGQYYYUQFHQIL-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392700603 924070581 /nfs/dbraw/zinc/07/05/81/924070581.db2.gz DSBZHWAMGGBCLJ-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392700603 924070591 /nfs/dbraw/zinc/07/05/91/924070591.db2.gz DSBZHWAMGGBCLJ-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704293 924070710 /nfs/dbraw/zinc/07/07/10/924070710.db2.gz BLTQOVBMEZKZAN-GHMZBOCLSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704293 924070721 /nfs/dbraw/zinc/07/07/21/924070721.db2.gz BLTQOVBMEZKZAN-GHMZBOCLSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392727704 924072024 /nfs/dbraw/zinc/07/20/24/924072024.db2.gz AJAPBQAIGQRBBQ-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392727704 924072034 /nfs/dbraw/zinc/07/20/34/924072034.db2.gz AJAPBQAIGQRBBQ-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)CC(=O)NC(N)=O ZINC001392727701 924072059 /nfs/dbraw/zinc/07/20/59/924072059.db2.gz XIQGXVYGGTYONN-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392735555 924072366 /nfs/dbraw/zinc/07/23/66/924072366.db2.gz GFSFBWSUQAUFGW-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)Cn1cncn1 ZINC001392716513 924072437 /nfs/dbraw/zinc/07/24/37/924072437.db2.gz CRKUKLGOPUBTFL-OLZOCXBDSA-N 1 1 321.385 -1.028 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766207 924074456 /nfs/dbraw/zinc/07/44/56/924074456.db2.gz INMSZMRLSYOFBA-MNOVXSKESA-N 1 1 311.386 -1.240 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766213 924074993 /nfs/dbraw/zinc/07/49/93/924074993.db2.gz INMSZMRLSYOFBA-QWRGUYRKSA-N 1 1 311.386 -1.240 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](NC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001392774161 924076357 /nfs/dbraw/zinc/07/63/57/924076357.db2.gz PMWSRKACDSEPPE-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001392835312 924082982 /nfs/dbraw/zinc/08/29/82/924082982.db2.gz NNYBPSREEMXCKI-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1[C@H](C)C(=O)NC(N)=O ZINC001392835214 924083378 /nfs/dbraw/zinc/08/33/78/924083378.db2.gz GBLNWBXUIOXFRS-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001392830375 924084145 /nfs/dbraw/zinc/08/41/45/924084145.db2.gz DBTDUYGPSNZYHR-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001392865935 924088409 /nfs/dbraw/zinc/08/84/09/924088409.db2.gz AJOVKDILRJABJS-WDEREUQCSA-N 1 1 310.354 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392878418 924089388 /nfs/dbraw/zinc/08/93/88/924089388.db2.gz FBLBIAWUIFDDGG-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001392870014 924089710 /nfs/dbraw/zinc/08/97/10/924089710.db2.gz QPGXRLQQEUGDIV-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CCn3cncn3)CC2)nc1=O ZINC001392885748 924091631 /nfs/dbraw/zinc/09/16/31/924091631.db2.gz ZFYJRXQNYXXJIC-UHFFFAOYSA-N 1 1 320.357 -1.471 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)c2nnn(C)n2)CC1)c1nncn1C ZINC001392923459 924097288 /nfs/dbraw/zinc/09/72/88/924097288.db2.gz GTDQNYPCHWBKBQ-MRVPVSSYSA-N 1 1 305.346 -1.048 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)c2nnn(C)n2)CC1)c1nncn1C ZINC001392923465 924097972 /nfs/dbraw/zinc/09/79/72/924097972.db2.gz GTDQNYPCHWBKBQ-QMMMGPOBSA-N 1 1 305.346 -1.048 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001392982987 924101295 /nfs/dbraw/zinc/10/12/95/924101295.db2.gz HCEFWNMELOUHLB-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001392977480 924101359 /nfs/dbraw/zinc/10/13/59/924101359.db2.gz WJDRUVPAVIXOJP-UHFFFAOYSA-N 1 1 324.385 -1.147 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957642 924101550 /nfs/dbraw/zinc/10/15/50/924101550.db2.gz XFXLNOIBCMRTTG-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957642 924101561 /nfs/dbraw/zinc/10/15/61/924101561.db2.gz XFXLNOIBCMRTTG-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392957911 924102069 /nfs/dbraw/zinc/10/20/69/924102069.db2.gz NABJDJAVWSWHAW-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957649 924102373 /nfs/dbraw/zinc/10/23/73/924102373.db2.gz XFXLNOIBCMRTTG-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957649 924102381 /nfs/dbraw/zinc/10/23/81/924102381.db2.gz XFXLNOIBCMRTTG-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001392970714 924102982 /nfs/dbraw/zinc/10/29/82/924102982.db2.gz KWADNRCUEOPQTH-UHFFFAOYSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001392988401 924104287 /nfs/dbraw/zinc/10/42/87/924104287.db2.gz VMTABIZALNYQFD-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO CCN(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001392996212 924105058 /nfs/dbraw/zinc/10/50/58/924105058.db2.gz REVPHZRIJCIOSN-ZDUSSCGKSA-N 1 1 312.414 -1.062 20 0 DAADMO CCN(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001392996212 924105071 /nfs/dbraw/zinc/10/50/71/924105071.db2.gz REVPHZRIJCIOSN-ZDUSSCGKSA-N 1 1 312.414 -1.062 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001392999273 924105367 /nfs/dbraw/zinc/10/53/67/924105367.db2.gz VSJXKROTZKGUTH-LLVKDONJSA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001393010047 924107046 /nfs/dbraw/zinc/10/70/46/924107046.db2.gz ITGRURCZPKJBPK-DGCLKSJQSA-N 1 1 323.397 -1.102 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCc2cnn(C)n2)C1 ZINC001393010795 924107291 /nfs/dbraw/zinc/10/72/91/924107291.db2.gz AZJPFSWDZOASMV-ZDUSSCGKSA-N 1 1 311.386 -1.102 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCn2cnccc2=O)C1 ZINC001393013138 924107721 /nfs/dbraw/zinc/10/77/21/924107721.db2.gz CIHNEDZFRCPHFR-CYBMUJFWSA-N 1 1 324.381 -1.217 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001393000354 924107908 /nfs/dbraw/zinc/10/79/08/924107908.db2.gz FZRUPWIYXAHJSS-NSHDSACASA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001393020762 924110075 /nfs/dbraw/zinc/11/00/75/924110075.db2.gz LENWWVYXWPRRJZ-SNVBAGLBSA-N 1 1 321.385 -1.270 20 0 DAADMO CCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001393027911 924110687 /nfs/dbraw/zinc/11/06/87/924110687.db2.gz LWZQZMGAESFNDO-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001393027911 924110695 /nfs/dbraw/zinc/11/06/95/924110695.db2.gz LWZQZMGAESFNDO-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001393036324 924112630 /nfs/dbraw/zinc/11/26/30/924112630.db2.gz MBUBQXBPDPIKMM-ZJUUUORDSA-N 1 1 324.389 -1.392 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393095806 924115521 /nfs/dbraw/zinc/11/55/21/924115521.db2.gz KZUZEBQQTQGLMC-ISVAXAHUSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393095806 924115529 /nfs/dbraw/zinc/11/55/29/924115529.db2.gz KZUZEBQQTQGLMC-ISVAXAHUSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001393101476 924115595 /nfs/dbraw/zinc/11/55/95/924115595.db2.gz HIANSKPQJZJADC-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001393101472 924115665 /nfs/dbraw/zinc/11/56/65/924115665.db2.gz HIANSKPQJZJADC-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001393087064 924115727 /nfs/dbraw/zinc/11/57/27/924115727.db2.gz IYQIPFNDVRTSPY-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393096139 924116775 /nfs/dbraw/zinc/11/67/75/924116775.db2.gz KZUZEBQQTQGLMC-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393096139 924116784 /nfs/dbraw/zinc/11/67/84/924116784.db2.gz KZUZEBQQTQGLMC-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001393101384 924117340 /nfs/dbraw/zinc/11/73/40/924117340.db2.gz HCKJXWJRDFHAMG-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001393101384 924117345 /nfs/dbraw/zinc/11/73/45/924117345.db2.gz HCKJXWJRDFHAMG-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001393105506 924117558 /nfs/dbraw/zinc/11/75/58/924117558.db2.gz RWRFVCDKWKOTOT-YPMHNXCESA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001393105506 924117562 /nfs/dbraw/zinc/11/75/62/924117562.db2.gz RWRFVCDKWKOTOT-YPMHNXCESA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001393107682 924117713 /nfs/dbraw/zinc/11/77/13/924117713.db2.gz ZZDFNYNRSGPJEK-ZWNOBZJWSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnn(CCC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001393113978 924118789 /nfs/dbraw/zinc/11/87/89/924118789.db2.gz CTVOXCAANAVMFW-CYBMUJFWSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CCC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001393113978 924118796 /nfs/dbraw/zinc/11/87/96/924118796.db2.gz CTVOXCAANAVMFW-CYBMUJFWSA-N 1 1 310.358 -1.962 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)CCn3cnnn3)C2)C1=O ZINC001393117889 924119154 /nfs/dbraw/zinc/11/91/54/924119154.db2.gz BQYDRIKZCVALKJ-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393125761 924119706 /nfs/dbraw/zinc/11/97/06/924119706.db2.gz VTOUABBDDOUKOH-ZDUSSCGKSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393125761 924119718 /nfs/dbraw/zinc/11/97/18/924119718.db2.gz VTOUABBDDOUKOH-ZDUSSCGKSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393125749 924119819 /nfs/dbraw/zinc/11/98/19/924119819.db2.gz VTOUABBDDOUKOH-CYBMUJFWSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393125749 924119824 /nfs/dbraw/zinc/11/98/24/924119824.db2.gz VTOUABBDDOUKOH-CYBMUJFWSA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001393114959 924119845 /nfs/dbraw/zinc/11/98/45/924119845.db2.gz XZFRBAMVHSFORV-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@]1(NC(=O)CN2CCOCC2=O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393115109 924120079 /nfs/dbraw/zinc/12/00/79/924120079.db2.gz YHBLSKVXTRPBRK-ABAIWWIYSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@]1(NC(=O)CN2CCOCC2=O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393115109 924120084 /nfs/dbraw/zinc/12/00/84/924120084.db2.gz YHBLSKVXTRPBRK-ABAIWWIYSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnccc2=O)CC[N@H+](CC(N)=O)C1 ZINC001393125960 924120338 /nfs/dbraw/zinc/12/03/38/924120338.db2.gz VXKAZDNYPGERDM-CQSZACIVSA-N 1 1 307.354 -1.301 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnccc2=O)CC[N@@H+](CC(N)=O)C1 ZINC001393125960 924120344 /nfs/dbraw/zinc/12/03/44/924120344.db2.gz VXKAZDNYPGERDM-CQSZACIVSA-N 1 1 307.354 -1.301 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001393114961 924120414 /nfs/dbraw/zinc/12/04/14/924120414.db2.gz XZFRBAMVHSFORV-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCNC(N)=O)C2)n1 ZINC001393169587 924121697 /nfs/dbraw/zinc/12/16/97/924121697.db2.gz RDSZDDBQKPLQDW-CYBMUJFWSA-N 1 1 324.389 -1.403 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnccn1 ZINC001393227969 924123490 /nfs/dbraw/zinc/12/34/90/924123490.db2.gz BVVWQCLBDIDNJN-CQSZACIVSA-N 1 1 317.353 -1.065 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393236988 924125581 /nfs/dbraw/zinc/12/55/81/924125581.db2.gz JENPCXLLVNXLNP-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393236988 924125590 /nfs/dbraw/zinc/12/55/90/924125590.db2.gz JENPCXLLVNXLNP-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393233970 924126356 /nfs/dbraw/zinc/12/63/56/924126356.db2.gz JMAVNQIQDVJPPR-ZFWWWQNUSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393233970 924126365 /nfs/dbraw/zinc/12/63/65/924126365.db2.gz JMAVNQIQDVJPPR-ZFWWWQNUSA-N 1 1 324.381 -1.112 20 0 DAADMO COC[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393237211 924127034 /nfs/dbraw/zinc/12/70/34/924127034.db2.gz JENPCXLLVNXLNP-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393237211 924127039 /nfs/dbraw/zinc/12/70/39/924127039.db2.gz JENPCXLLVNXLNP-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1)NC1CC1 ZINC001393235878 924127080 /nfs/dbraw/zinc/12/70/80/924127080.db2.gz HAWOFMGESFWTLZ-NHYWBVRUSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1)NC1CC1 ZINC001393235878 924127089 /nfs/dbraw/zinc/12/70/89/924127089.db2.gz HAWOFMGESFWTLZ-NHYWBVRUSA-N 1 1 311.382 -1.146 20 0 DAADMO CCO[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393236095 924127457 /nfs/dbraw/zinc/12/74/57/924127457.db2.gz MHYKZHNAJAXSDH-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CCO[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393236095 924127470 /nfs/dbraw/zinc/12/74/70/924127470.db2.gz MHYKZHNAJAXSDH-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001393240062 924128641 /nfs/dbraw/zinc/12/86/41/924128641.db2.gz KQEACUUITQHBQT-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001393240062 924128649 /nfs/dbraw/zinc/12/86/49/924128649.db2.gz KQEACUUITQHBQT-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001393241116 924129008 /nfs/dbraw/zinc/12/90/08/924129008.db2.gz UFPJYUZOCASDLA-BXUZGUMPSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244169 924129237 /nfs/dbraw/zinc/12/92/37/924129237.db2.gz PRDIEDKVVGKGRC-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244169 924129244 /nfs/dbraw/zinc/12/92/44/924129244.db2.gz PRDIEDKVVGKGRC-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243048 924129495 /nfs/dbraw/zinc/12/94/95/924129495.db2.gz AQXUJVGBFMKLFA-SMDDNHRTSA-N 1 1 324.385 -1.507 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnn(C)c2)C1 ZINC001393238467 924129695 /nfs/dbraw/zinc/12/96/95/924129695.db2.gz PEXQLPYLSPAJIM-CQSZACIVSA-N 1 1 309.370 -1.391 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)COC(C)C)C1 ZINC001393241615 924129757 /nfs/dbraw/zinc/12/97/57/924129757.db2.gz XBPFOCOIKZVTIB-JSGCOSHPSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393240934 924130095 /nfs/dbraw/zinc/13/00/95/924130095.db2.gz LTRWAFFHXGDGOU-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)on1 ZINC001393243239 924130183 /nfs/dbraw/zinc/13/01/83/924130183.db2.gz BUUMBVHFLNZFFI-AMIZOPFISA-N 1 1 312.326 -1.276 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)on1 ZINC001393243239 924130191 /nfs/dbraw/zinc/13/01/91/924130191.db2.gz BUUMBVHFLNZFFI-AMIZOPFISA-N 1 1 312.326 -1.276 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001393238744 924130920 /nfs/dbraw/zinc/13/09/20/924130920.db2.gz NUBGLGBXSYGYAC-GFCCVEGCSA-N 1 1 305.400 -1.501 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001393238744 924130927 /nfs/dbraw/zinc/13/09/27/924130927.db2.gz NUBGLGBXSYGYAC-GFCCVEGCSA-N 1 1 305.400 -1.501 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001393242614 924131033 /nfs/dbraw/zinc/13/10/33/924131033.db2.gz VTCMDKVIBTYIKV-BXUZGUMPSA-N 1 1 312.370 -1.406 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2ccnc2C1 ZINC001393249318 924132405 /nfs/dbraw/zinc/13/24/05/924132405.db2.gz QOAQPMNOKKJCGP-IUODEOHRSA-N 1 1 308.382 -1.009 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393247522 924132520 /nfs/dbraw/zinc/13/25/20/924132520.db2.gz CVHVZDDFMGTBHQ-LBPRGKRZSA-N 1 1 323.390 -1.456 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393247522 924132528 /nfs/dbraw/zinc/13/25/28/924132528.db2.gz CVHVZDDFMGTBHQ-LBPRGKRZSA-N 1 1 323.390 -1.456 20 0 DAADMO Cc1cn(C(C)(C)C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001393244988 924132914 /nfs/dbraw/zinc/13/29/14/924132914.db2.gz DRPFDYIEAXDWBF-OAHLLOKOSA-N 1 1 323.397 -1.035 20 0 DAADMO Cc1cn(C(C)(C)C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001393244988 924132923 /nfs/dbraw/zinc/13/29/23/924132923.db2.gz DRPFDYIEAXDWBF-OAHLLOKOSA-N 1 1 323.397 -1.035 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393246347 924134110 /nfs/dbraw/zinc/13/41/10/924134110.db2.gz BDYYUQSCJFSSMM-NOZJJQNGSA-N 1 1 314.342 -2.264 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393246347 924134116 /nfs/dbraw/zinc/13/41/16/924134116.db2.gz BDYYUQSCJFSSMM-NOZJJQNGSA-N 1 1 314.342 -2.264 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393248304 924134577 /nfs/dbraw/zinc/13/45/77/924134577.db2.gz IBBMVCHAWALOHE-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255319 924135855 /nfs/dbraw/zinc/13/58/55/924135855.db2.gz ZFVLUCFAWUNDJP-YMTOWFKASA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255319 924135867 /nfs/dbraw/zinc/13/58/67/924135867.db2.gz ZFVLUCFAWUNDJP-YMTOWFKASA-N 1 1 323.353 -2.179 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001393251734 924137243 /nfs/dbraw/zinc/13/72/43/924137243.db2.gz UJVFMWUHIOYKTL-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001393251734 924137247 /nfs/dbraw/zinc/13/72/47/924137247.db2.gz UJVFMWUHIOYKTL-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393255017 924137285 /nfs/dbraw/zinc/13/72/85/924137285.db2.gz QTWFFHQQUDODFN-FZMZJTMJSA-N 1 1 312.370 -1.406 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393255353 924137304 /nfs/dbraw/zinc/13/73/04/924137304.db2.gz RLUCMTCIMIKXAM-DOMZBBRYSA-N 1 1 316.398 -1.148 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249501 924137525 /nfs/dbraw/zinc/13/75/25/924137525.db2.gz VQYDTEFCAYXNTE-RISCZKNCSA-N 1 1 324.385 -1.644 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(COC)CC2)C1 ZINC001393255177 924137625 /nfs/dbraw/zinc/13/76/25/924137625.db2.gz HOYZVOJDJILKIR-DOMZBBRYSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249498 924137747 /nfs/dbraw/zinc/13/77/47/924137747.db2.gz VQYDTEFCAYXNTE-FZMZJTMJSA-N 1 1 324.385 -1.644 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393254371 924137773 /nfs/dbraw/zinc/13/77/73/924137773.db2.gz OIDSULADNABJQR-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393253948 924138016 /nfs/dbraw/zinc/13/80/16/924138016.db2.gz PGFVEKAEICTFGK-SMDDNHRTSA-N 1 1 300.355 -1.125 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393256786 924139373 /nfs/dbraw/zinc/13/93/73/924139373.db2.gz RLJGCSNADWPVHB-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001393259914 924139406 /nfs/dbraw/zinc/13/94/06/924139406.db2.gz ZCFLQTMKZYPLCF-OAHLLOKOSA-N 1 1 323.397 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001393259914 924139415 /nfs/dbraw/zinc/13/94/15/924139415.db2.gz ZCFLQTMKZYPLCF-OAHLLOKOSA-N 1 1 323.397 -1.430 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001393259070 924139872 /nfs/dbraw/zinc/13/98/72/924139872.db2.gz XDTGAERRKIZOKK-CQSZACIVSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001393259070 924139878 /nfs/dbraw/zinc/13/98/78/924139878.db2.gz XDTGAERRKIZOKK-CQSZACIVSA-N 1 1 310.354 -1.175 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393256787 924140257 /nfs/dbraw/zinc/14/02/57/924140257.db2.gz RLJGCSNADWPVHB-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001393259068 924140548 /nfs/dbraw/zinc/14/05/48/924140548.db2.gz XDTGAERRKIZOKK-AWEZNQCLSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnc(C)o2)C1 ZINC001393259068 924140553 /nfs/dbraw/zinc/14/05/53/924140553.db2.gz XDTGAERRKIZOKK-AWEZNQCLSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001393261328 924140568 /nfs/dbraw/zinc/14/05/68/924140568.db2.gz SYYCRSGBTAYCGI-LBPRGKRZSA-N 1 1 309.313 -1.433 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001393261328 924140575 /nfs/dbraw/zinc/14/05/75/924140575.db2.gz SYYCRSGBTAYCGI-LBPRGKRZSA-N 1 1 309.313 -1.433 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393256958 924140748 /nfs/dbraw/zinc/14/07/48/924140748.db2.gz UEZFEKNOBIQWMA-PELKAZGASA-N 1 1 300.315 -2.606 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393256958 924140754 /nfs/dbraw/zinc/14/07/54/924140754.db2.gz UEZFEKNOBIQWMA-PELKAZGASA-N 1 1 300.315 -2.606 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393257716 924140821 /nfs/dbraw/zinc/14/08/21/924140821.db2.gz HOYANRFJXGCNGW-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393257716 924140829 /nfs/dbraw/zinc/14/08/29/924140829.db2.gz HOYANRFJXGCNGW-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1COC(=O)N1 ZINC001393259801 924141260 /nfs/dbraw/zinc/14/12/60/924141260.db2.gz XTBHXTXZNQTUEP-ZWNOBZJWSA-N 1 1 324.341 -2.061 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393259510 924141616 /nfs/dbraw/zinc/14/16/16/924141616.db2.gz YGYFLXHOANDTNR-PWSUYJOCSA-N 1 1 323.415 -2.188 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001393261326 924141706 /nfs/dbraw/zinc/14/17/06/924141706.db2.gz SYYCRSGBTAYCGI-GFCCVEGCSA-N 1 1 309.313 -1.433 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001393261326 924141712 /nfs/dbraw/zinc/14/17/12/924141712.db2.gz SYYCRSGBTAYCGI-GFCCVEGCSA-N 1 1 309.313 -1.433 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CCNC(N)=O ZINC001393270351 924142838 /nfs/dbraw/zinc/14/28/38/924142838.db2.gz BRNWVFUGHKRGDG-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393266736 924144198 /nfs/dbraw/zinc/14/41/98/924144198.db2.gz VZELMZUYQPXIRX-RNCFNFMXSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393266736 924144210 /nfs/dbraw/zinc/14/42/10/924144210.db2.gz VZELMZUYQPXIRX-RNCFNFMXSA-N 1 1 313.358 -2.691 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN([C@@H]2CCCNC2=O)C1 ZINC001393271894 924145248 /nfs/dbraw/zinc/14/52/48/924145248.db2.gz HOOCNMXVGLADER-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278199 924147137 /nfs/dbraw/zinc/14/71/37/924147137.db2.gz RDXUFEOONIOPPU-SWLSCSKDSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274123 924147374 /nfs/dbraw/zinc/14/73/74/924147374.db2.gz HYTSFUYHDJMJEO-LKFCYVNXSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274123 924147378 /nfs/dbraw/zinc/14/73/78/924147378.db2.gz HYTSFUYHDJMJEO-LKFCYVNXSA-N 1 1 323.353 -2.179 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393277526 924147574 /nfs/dbraw/zinc/14/75/74/924147574.db2.gz BEFZSBLGYFSZBJ-AWEZNQCLSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393277526 924147580 /nfs/dbraw/zinc/14/75/80/924147580.db2.gz BEFZSBLGYFSZBJ-AWEZNQCLSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393277611 924147749 /nfs/dbraw/zinc/14/77/49/924147749.db2.gz BEFZSBLGYFSZBJ-CQSZACIVSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393277611 924147756 /nfs/dbraw/zinc/14/77/56/924147756.db2.gz BEFZSBLGYFSZBJ-CQSZACIVSA-N 1 1 322.369 -1.821 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001393278166 924148288 /nfs/dbraw/zinc/14/82/88/924148288.db2.gz GHHZRGRTEMVNCF-CQSZACIVSA-N 1 1 324.385 -1.270 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001393278163 924148308 /nfs/dbraw/zinc/14/83/08/924148308.db2.gz GHHZRGRTEMVNCF-AWEZNQCLSA-N 1 1 324.385 -1.270 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001393278675 924148327 /nfs/dbraw/zinc/14/83/27/924148327.db2.gz SYMXTQPHLVBARS-BONVTDFDSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001393278675 924148333 /nfs/dbraw/zinc/14/83/33/924148333.db2.gz SYMXTQPHLVBARS-BONVTDFDSA-N 1 1 324.381 -1.076 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393278828 924148506 /nfs/dbraw/zinc/14/85/06/924148506.db2.gz GWRLTCLTJZPSLG-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274132 924149236 /nfs/dbraw/zinc/14/92/36/924149236.db2.gz HYTSFUYHDJMJEO-XPTSAGLGSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274132 924149247 /nfs/dbraw/zinc/14/92/47/924149247.db2.gz HYTSFUYHDJMJEO-XPTSAGLGSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393277243 924149780 /nfs/dbraw/zinc/14/97/80/924149780.db2.gz APWBINCGWWRMMH-QMTHXVAHSA-N 1 1 324.385 -1.623 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001393273970 924149932 /nfs/dbraw/zinc/14/99/32/924149932.db2.gz HAQYAWZAYFPGBR-HNNXBMFYSA-N 1 1 320.349 -1.563 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001393273970 924149944 /nfs/dbraw/zinc/14/99/44/924149944.db2.gz HAQYAWZAYFPGBR-HNNXBMFYSA-N 1 1 320.349 -1.563 20 0 DAADMO CC[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283297 924150941 /nfs/dbraw/zinc/15/09/41/924150941.db2.gz YJUAPLLKYOZBEX-FZMZJTMJSA-N 1 1 300.403 -1.245 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001393282652 924152508 /nfs/dbraw/zinc/15/25/08/924152508.db2.gz PAEBEAPCHVDKSF-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393282652 924152522 /nfs/dbraw/zinc/15/25/22/924152522.db2.gz PAEBEAPCHVDKSF-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393278976 924152582 /nfs/dbraw/zinc/15/25/82/924152582.db2.gz RCQCZNIPUGKQEF-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001393279388 924152928 /nfs/dbraw/zinc/15/29/28/924152928.db2.gz ITXWUYITCQIPBI-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001393279388 924152945 /nfs/dbraw/zinc/15/29/45/924152945.db2.gz ITXWUYITCQIPBI-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](Oc1cccnc1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393279475 924153530 /nfs/dbraw/zinc/15/35/30/924153530.db2.gz SMCLECOVXFYAAX-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](Oc1cccnc1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393279475 924153546 /nfs/dbraw/zinc/15/35/46/924153546.db2.gz SMCLECOVXFYAAX-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393280037 924153629 /nfs/dbraw/zinc/15/36/29/924153629.db2.gz UGEWWVHATAIKLP-SWLSCSKDSA-N 1 1 321.381 -1.183 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393283562 924154855 /nfs/dbraw/zinc/15/48/55/924154855.db2.gz RDXAQHNWPPZHFI-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393283562 924154860 /nfs/dbraw/zinc/15/48/60/924154860.db2.gz RDXAQHNWPPZHFI-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001393289638 924156560 /nfs/dbraw/zinc/15/65/60/924156560.db2.gz JDXUZLIUWQDZCK-JSGCOSHPSA-N 1 1 311.382 -1.288 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)Cc3nc[nH]n3)C2)cn1 ZINC001393287285 924156657 /nfs/dbraw/zinc/15/66/57/924156657.db2.gz WUQLKLAZOSAPQM-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284927 924156796 /nfs/dbraw/zinc/15/67/96/924156796.db2.gz YNYXICQTBYKPCQ-BXKDBHETSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284927 924156805 /nfs/dbraw/zinc/15/68/05/924156805.db2.gz YNYXICQTBYKPCQ-BXKDBHETSA-N 1 1 311.346 -2.510 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001393295876 924158208 /nfs/dbraw/zinc/15/82/08/924158208.db2.gz WLEPRGQANBZHID-CQSZACIVSA-N 1 1 309.370 -1.440 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001393295876 924158215 /nfs/dbraw/zinc/15/82/15/924158215.db2.gz WLEPRGQANBZHID-CQSZACIVSA-N 1 1 309.370 -1.440 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393295302 924158407 /nfs/dbraw/zinc/15/84/07/924158407.db2.gz SXWUHGYQSCWMAF-FZMZJTMJSA-N 1 1 316.402 -1.241 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3ccon3)C2)C1 ZINC001393301078 924161702 /nfs/dbraw/zinc/16/17/02/924161702.db2.gz AZSDWHCFGRDYQN-GFCCVEGCSA-N 1 1 310.354 -1.332 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3ccon3)C2)C1 ZINC001393301078 924161712 /nfs/dbraw/zinc/16/17/12/924161712.db2.gz AZSDWHCFGRDYQN-GFCCVEGCSA-N 1 1 310.354 -1.332 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001393305323 924163399 /nfs/dbraw/zinc/16/33/99/924163399.db2.gz RJTAJTDILZIWEH-NSHDSACASA-N 1 1 308.386 -1.130 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001393303679 924164461 /nfs/dbraw/zinc/16/44/61/924164461.db2.gz KRDLGXHLWFBEMY-GHMZBOCLSA-N 1 1 312.370 -2.632 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001393303679 924164465 /nfs/dbraw/zinc/16/44/65/924164465.db2.gz KRDLGXHLWFBEMY-GHMZBOCLSA-N 1 1 312.370 -2.632 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001393317112 924171167 /nfs/dbraw/zinc/17/11/67/924171167.db2.gz RQFJIWYEEVLZRY-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO CNC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001393317467 924171898 /nfs/dbraw/zinc/17/18/98/924171898.db2.gz SLUZQIXNSMQHNZ-NSHDSACASA-N 1 1 314.386 -1.495 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001393319705 924173385 /nfs/dbraw/zinc/17/33/85/924173385.db2.gz ZATCMTLBMIIBBQ-LLVKDONJSA-N 1 1 323.401 -1.643 20 0 DAADMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001393340012 924181043 /nfs/dbraw/zinc/18/10/43/924181043.db2.gz UEVMLZUBXNDSLT-LBPRGKRZSA-N 1 1 312.414 -1.103 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC1(O)C[NH+](C(C)C)C1)C(N)=O ZINC001393335965 924182064 /nfs/dbraw/zinc/18/20/64/924182064.db2.gz AMGLPAYLIBPHSS-JTQLQIEISA-N 1 1 300.359 -2.062 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001393346468 924183316 /nfs/dbraw/zinc/18/33/16/924183316.db2.gz BUWNUECYCNAECH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001393341410 924183378 /nfs/dbraw/zinc/18/33/78/924183378.db2.gz RBVOOVVDOKQMQO-UHFFFAOYSA-N 1 1 314.430 -1.127 20 0 DAADMO Cn1cc(C(=O)NCC2(O)C[NH+](CC3CC3)C2)c(=O)[nH]c1=O ZINC001393354184 924188866 /nfs/dbraw/zinc/18/88/66/924188866.db2.gz MMJNGOXMECLROT-UHFFFAOYSA-N 1 1 308.338 -1.328 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(Cc2cnn(C)n2)C1 ZINC001393356477 924189880 /nfs/dbraw/zinc/18/98/80/924189880.db2.gz DTHYQFCAMBCZTA-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001393355208 924189954 /nfs/dbraw/zinc/18/99/54/924189954.db2.gz RTHSYRDSLNLAMW-JTQLQIEISA-N 1 1 309.374 -2.175 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393357614 924190268 /nfs/dbraw/zinc/19/02/68/924190268.db2.gz FDLVEIIMUIHJJB-LLVKDONJSA-N 1 1 309.370 -1.382 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@H](C)OC)C2)C1 ZINC001393360944 924192075 /nfs/dbraw/zinc/19/20/75/924192075.db2.gz OITQGDNAIVWTNQ-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@H](C)OC)C2)C1 ZINC001393360944 924192082 /nfs/dbraw/zinc/19/20/82/924192082.db2.gz OITQGDNAIVWTNQ-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@@H](C)OC)C2)C1 ZINC001393360943 924192129 /nfs/dbraw/zinc/19/21/29/924192129.db2.gz OITQGDNAIVWTNQ-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@@H](C)OC)C2)C1 ZINC001393360943 924192136 /nfs/dbraw/zinc/19/21/36/924192136.db2.gz OITQGDNAIVWTNQ-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393361264 924192441 /nfs/dbraw/zinc/19/24/41/924192441.db2.gz UJRNSROVMSBQSU-LBPRGKRZSA-N 1 1 303.403 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001393417277 924197105 /nfs/dbraw/zinc/19/71/05/924197105.db2.gz MDSWFWQNQFBEAO-GARJFASQSA-N 1 1 311.386 -1.431 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001393411154 924197443 /nfs/dbraw/zinc/19/74/43/924197443.db2.gz DVAVEFOFORNFGG-DTORHVGOSA-N 1 1 306.326 -1.392 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CO1 ZINC001393410523 924197819 /nfs/dbraw/zinc/19/78/19/924197819.db2.gz LWGBZWPIMAVQLO-KXNHARMFSA-N 1 1 324.381 -1.004 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001393410231 924198260 /nfs/dbraw/zinc/19/82/60/924198260.db2.gz KIRPUYWIXVQMFL-OUAUKWLOSA-N 1 1 309.370 -1.806 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001393418789 924198284 /nfs/dbraw/zinc/19/82/84/924198284.db2.gz OWRDAZGSBZELGJ-OUAUKWLOSA-N 1 1 309.370 -1.806 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCN1CCC([NH2+]CCO)CC1 ZINC001393423904 924198656 /nfs/dbraw/zinc/19/86/56/924198656.db2.gz FSVJSMJJHSVNJT-UHFFFAOYSA-N 1 1 310.402 -1.100 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001393416815 924198717 /nfs/dbraw/zinc/19/87/17/924198717.db2.gz LFAFDKTWKRDDCA-FRRDWIJNSA-N 1 1 309.370 -1.324 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001393444299 924201456 /nfs/dbraw/zinc/20/14/56/924201456.db2.gz BISDEAKLQOKHQJ-OAHLLOKOSA-N 1 1 324.381 -1.490 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393428813 924202631 /nfs/dbraw/zinc/20/26/31/924202631.db2.gz NMUGOEDLAYMQMP-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(CO)CCC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001393448753 924204362 /nfs/dbraw/zinc/20/43/62/924204362.db2.gz JAIRNWQZCMXWEI-FZMZJTMJSA-N 1 1 324.385 -1.197 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ccncn1)c1nnnn1C ZINC001393471114 924213754 /nfs/dbraw/zinc/21/37/54/924213754.db2.gz YUEFTRZUYBSPHJ-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001393468848 924213799 /nfs/dbraw/zinc/21/37/99/924213799.db2.gz LMZSKTXYWGLJNX-KOLCDFICSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001393465610 924213865 /nfs/dbraw/zinc/21/38/65/924213865.db2.gz BBGGEQWJBQWMBY-SNVBAGLBSA-N 1 1 322.373 -1.353 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001393467850 924214150 /nfs/dbraw/zinc/21/41/50/924214150.db2.gz KFUAZIHTVYCJFB-XQQFMLRXSA-N 1 1 324.385 -1.254 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001393467848 924214714 /nfs/dbraw/zinc/21/47/14/924214714.db2.gz KFUAZIHTVYCJFB-RWMBFGLXSA-N 1 1 324.385 -1.254 20 0 DAADMO O=C(CN1CCCC1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001393486212 924217647 /nfs/dbraw/zinc/21/76/47/924217647.db2.gz XKGGPNDPFPUZHC-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001393572440 924226714 /nfs/dbraw/zinc/22/67/14/924226714.db2.gz SDIZYGQYVXIPHM-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001393573668 924228764 /nfs/dbraw/zinc/22/87/64/924228764.db2.gz DICVHNKDRPJVEK-LLVKDONJSA-N 1 1 322.369 -1.178 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001393595905 924232991 /nfs/dbraw/zinc/23/29/91/924232991.db2.gz FVMKDZVLOHSSCE-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001393598334 924233543 /nfs/dbraw/zinc/23/35/43/924233543.db2.gz HWABHFNSGIWJCV-SECBINFHSA-N 1 1 323.357 -1.406 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001393598334 924233556 /nfs/dbraw/zinc/23/35/56/924233556.db2.gz HWABHFNSGIWJCV-SECBINFHSA-N 1 1 323.357 -1.406 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001393606690 924233945 /nfs/dbraw/zinc/23/39/45/924233945.db2.gz QLTKUWGEPXGVLG-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001393597662 924234404 /nfs/dbraw/zinc/23/44/04/924234404.db2.gz FCVAJKBAPDFZIH-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001393602628 924234464 /nfs/dbraw/zinc/23/44/64/924234464.db2.gz UCTLMHPYGIBRRV-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001393631842 924236580 /nfs/dbraw/zinc/23/65/80/924236580.db2.gz UFVNMXLPYOAUNR-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(CCC[N@@H+](C)CCCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001393631444 924236714 /nfs/dbraw/zinc/23/67/14/924236714.db2.gz FRNDXGZDMNLRAR-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001393617383 924238495 /nfs/dbraw/zinc/23/84/95/924238495.db2.gz IIICXYKLLMCWKR-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001393629087 924238660 /nfs/dbraw/zinc/23/86/60/924238660.db2.gz FHVSHHJPEUNHDI-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001393705917 924244583 /nfs/dbraw/zinc/24/45/83/924244583.db2.gz ZFIMFOXXSJJLDB-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1ncc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)[nH]1 ZINC001393728650 924247903 /nfs/dbraw/zinc/24/79/03/924247903.db2.gz IDGQJKIGBCCXOR-OIBJUYFYSA-N 1 1 308.342 -1.037 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001393743064 924248287 /nfs/dbraw/zinc/24/82/87/924248287.db2.gz HYFYEWRHZVOVSC-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001393743066 924250185 /nfs/dbraw/zinc/25/01/85/924250185.db2.gz HYFYEWRHZVOVSC-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001393744521 924250849 /nfs/dbraw/zinc/25/08/49/924250849.db2.gz KALGNVWQFHWGKL-GXSJLCMTSA-N 1 1 309.374 -1.319 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001393750783 924252649 /nfs/dbraw/zinc/25/26/49/924252649.db2.gz XFGJEBMXDIPECM-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001393744523 924253195 /nfs/dbraw/zinc/25/31/95/924253195.db2.gz KALGNVWQFHWGKL-KOLCDFICSA-N 1 1 309.374 -1.319 20 0 DAADMO COCC(=O)N1CCC(O)(C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001393764684 924255767 /nfs/dbraw/zinc/25/57/67/924255767.db2.gz HQRVTOWYNGIAKL-SNVBAGLBSA-N 1 1 312.374 -1.139 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2cc[nH]n2)CC1 ZINC001393765283 924256105 /nfs/dbraw/zinc/25/61/05/924256105.db2.gz UWLUOLXYPAAFQI-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2ccn[nH]2)CC1 ZINC001393765283 924256114 /nfs/dbraw/zinc/25/61/14/924256114.db2.gz UWLUOLXYPAAFQI-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001393814755 924258414 /nfs/dbraw/zinc/25/84/14/924258414.db2.gz LWACXUVZBTYPLC-ZJUUUORDSA-N 1 1 309.370 -1.616 20 0 DAADMO CC(=O)NC1(CO)CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC001393834679 924260622 /nfs/dbraw/zinc/26/06/22/924260622.db2.gz IKWFVPWCQXQLFH-UHFFFAOYSA-N 1 1 319.427 -1.015 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001393841996 924261132 /nfs/dbraw/zinc/26/11/32/924261132.db2.gz GTEOMVUVCZIPBS-JTQLQIEISA-N 1 1 322.369 -1.442 20 0 DAADMO CCn1cc(C(=O)NC2(CO)CC[NH+]([C@H](C)C(N)=O)CC2)nn1 ZINC001393850897 924263386 /nfs/dbraw/zinc/26/33/86/924263386.db2.gz ITPSBPGBCHYDMB-SNVBAGLBSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cc1c[nH]cn1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001393846021 924263810 /nfs/dbraw/zinc/26/38/10/924263810.db2.gz GXJXLXHJYBAVFE-GFCCVEGCSA-N 1 1 321.381 -1.216 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001393888884 924265876 /nfs/dbraw/zinc/26/58/76/924265876.db2.gz YRPUHCIXIPMHGR-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO O=C(C[NH2+]CC1CC(NC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001393903462 924266061 /nfs/dbraw/zinc/26/60/61/924266061.db2.gz OWYLBCXAKDKWOA-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]CC1CC(NC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001393903462 924266074 /nfs/dbraw/zinc/26/60/74/924266074.db2.gz OWYLBCXAKDKWOA-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001393864963 924266388 /nfs/dbraw/zinc/26/63/88/924266388.db2.gz AFYQNDQYBQRWLS-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001393864963 924266396 /nfs/dbraw/zinc/26/63/96/924266396.db2.gz AFYQNDQYBQRWLS-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n1 ZINC001393950513 924268285 /nfs/dbraw/zinc/26/82/85/924268285.db2.gz NGJNZMOIRCSFMY-NXEZZACHSA-N 1 1 307.362 -1.033 20 0 DAADMO CC(=O)NCC(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001393921413 924268571 /nfs/dbraw/zinc/26/85/71/924268571.db2.gz BKPSDYZVXKYQDD-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)n1 ZINC001393950516 924268973 /nfs/dbraw/zinc/26/89/73/924268973.db2.gz NGJNZMOIRCSFMY-UWVGGRQHSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001393957454 924270312 /nfs/dbraw/zinc/27/03/12/924270312.db2.gz XCIJQYLWHANUDP-DTWKUNHWSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001393957456 924270534 /nfs/dbraw/zinc/27/05/34/924270534.db2.gz XCIJQYLWHANUDP-RKDXNWHRSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001393957453 924271213 /nfs/dbraw/zinc/27/12/13/924271213.db2.gz XCIJQYLWHANUDP-BDAKNGLRSA-N 1 1 315.399 -1.158 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393967960 924271391 /nfs/dbraw/zinc/27/13/91/924271391.db2.gz LJMWZPXKBLIDSG-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394041528 924274297 /nfs/dbraw/zinc/27/42/97/924274297.db2.gz ILRZRJYOFRIGHI-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394041528 924274305 /nfs/dbraw/zinc/27/43/05/924274305.db2.gz ILRZRJYOFRIGHI-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO C[C@H](CNC(=O)CCn1cccn1)[N@H+](C)CC(=O)NC(N)=O ZINC001394052624 924274370 /nfs/dbraw/zinc/27/43/70/924274370.db2.gz XZKGTTYQGARWNS-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](CNC(=O)CCn1cccn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394052624 924274377 /nfs/dbraw/zinc/27/43/77/924274377.db2.gz XZKGTTYQGARWNS-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)CCN1CCNC1=O ZINC001394062631 924274501 /nfs/dbraw/zinc/27/45/01/924274501.db2.gz HHORQCYIHLQNCN-ZJUUUORDSA-N 1 1 314.390 -1.495 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394048157 924275067 /nfs/dbraw/zinc/27/50/67/924275067.db2.gz XBZBUPXXDALWBI-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394048157 924275076 /nfs/dbraw/zinc/27/50/76/924275076.db2.gz XBZBUPXXDALWBI-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001394035497 924275200 /nfs/dbraw/zinc/27/52/00/924275200.db2.gz KQHJQEFMWCCPJE-AAEUAGOBSA-N 1 1 311.386 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cccn1 ZINC001394035049 924276215 /nfs/dbraw/zinc/27/62/15/924276215.db2.gz GMIGDAOFJUWBDG-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cccn1 ZINC001394035049 924276224 /nfs/dbraw/zinc/27/62/24/924276224.db2.gz GMIGDAOFJUWBDG-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001394067735 924276958 /nfs/dbraw/zinc/27/69/58/924276958.db2.gz QQGSXKRIMKGXDT-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001394067735 924276969 /nfs/dbraw/zinc/27/69/69/924276969.db2.gz QQGSXKRIMKGXDT-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@H](CNC(=O)CN1CCCCS1(=O)=O)[N@@H+](C)CCO ZINC001394090102 924277541 /nfs/dbraw/zinc/27/75/41/924277541.db2.gz IBMSYYGCDZBQLE-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)[N@H+](C)CC(N)=O ZINC001394067494 924277861 /nfs/dbraw/zinc/27/78/61/924277861.db2.gz IZPDMWFMTHEUCZ-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)[N@@H+](C)CC(N)=O ZINC001394067494 924277869 /nfs/dbraw/zinc/27/78/69/924277869.db2.gz IZPDMWFMTHEUCZ-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001394080011 924278188 /nfs/dbraw/zinc/27/81/88/924278188.db2.gz OCGVACCQLURLQX-CMPLNLGQSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001394080011 924278199 /nfs/dbraw/zinc/27/81/99/924278199.db2.gz OCGVACCQLURLQX-CMPLNLGQSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001394065784 924278616 /nfs/dbraw/zinc/27/86/16/924278616.db2.gz MMBROACLOCLDSA-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)NC ZINC001394068171 924278721 /nfs/dbraw/zinc/27/87/21/924278721.db2.gz RPSBLHUJCQJZCZ-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)NC ZINC001394068171 924278730 /nfs/dbraw/zinc/27/87/30/924278730.db2.gz RPSBLHUJCQJZCZ-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001394102342 924279295 /nfs/dbraw/zinc/27/92/95/924279295.db2.gz LCQKCKPBEJITPE-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001394102342 924279301 /nfs/dbraw/zinc/27/93/01/924279301.db2.gz LCQKCKPBEJITPE-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001394102341 924279382 /nfs/dbraw/zinc/27/93/82/924279382.db2.gz LCQKCKPBEJITPE-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001394102341 924279391 /nfs/dbraw/zinc/27/93/91/924279391.db2.gz LCQKCKPBEJITPE-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)[N@H+](C)CC(N)=O ZINC001394117601 924279486 /nfs/dbraw/zinc/27/94/86/924279486.db2.gz SGPQURYGNSSRAH-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)[N@@H+](C)CC(N)=O ZINC001394117601 924279494 /nfs/dbraw/zinc/27/94/94/924279494.db2.gz SGPQURYGNSSRAH-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001394097472 924280591 /nfs/dbraw/zinc/28/05/91/924280591.db2.gz CKLUCZDTUBSKAR-APLZJWDSSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394097476 924280609 /nfs/dbraw/zinc/28/06/09/924280609.db2.gz CKLUCZDTUBSKAR-LADJIXMOSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394102607 924280735 /nfs/dbraw/zinc/28/07/35/924280735.db2.gz SZEDTCYCDWFEIF-GHMZBOCLSA-N 1 1 311.386 -2.257 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)N(C)CC(=O)NC)C1 ZINC001394139995 924282829 /nfs/dbraw/zinc/28/28/29/924282829.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)N(C)CC(=O)NC)C1 ZINC001394139995 924282836 /nfs/dbraw/zinc/28/28/36/924282836.db2.gz JYCLAFGWNLRUOU-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135898 924282972 /nfs/dbraw/zinc/28/29/72/924282972.db2.gz OFEXUXNGMNWKAM-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135898 924282980 /nfs/dbraw/zinc/28/29/80/924282980.db2.gz OFEXUXNGMNWKAM-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001394127687 924282996 /nfs/dbraw/zinc/28/29/96/924282996.db2.gz NGSUGZGVFGWJPG-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO COCC[N@H+](C)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001394132012 924283625 /nfs/dbraw/zinc/28/36/25/924283625.db2.gz AKWSYAKFTIKZHP-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001394132012 924283635 /nfs/dbraw/zinc/28/36/35/924283635.db2.gz AKWSYAKFTIKZHP-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO Cn1ncc(CN2CC(CCO)(NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001394145821 924284113 /nfs/dbraw/zinc/28/41/13/924284113.db2.gz DMABUCNPOXHXTQ-ZDUSSCGKSA-N 1 1 322.413 -1.038 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC001394133123 924284206 /nfs/dbraw/zinc/28/42/06/924284206.db2.gz JDMLEEDCTNKWDT-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001394133123 924284213 /nfs/dbraw/zinc/28/42/13/924284213.db2.gz JDMLEEDCTNKWDT-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CC[C@H](C[NH+]1CC(CCO)(NC(=O)CNC(=O)NC)C1)OC ZINC001394151042 924285274 /nfs/dbraw/zinc/28/52/74/924285274.db2.gz DNLZMNXMCUHULO-LLVKDONJSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCC[C@@H](C)O)C1 ZINC001394153645 924286533 /nfs/dbraw/zinc/28/65/33/924286533.db2.gz RDVMKODCOGASEB-LLVKDONJSA-N 1 1 316.402 -1.371 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001394154528 924287348 /nfs/dbraw/zinc/28/73/48/924287348.db2.gz JVANWALNYBXZKZ-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001394156061 924287962 /nfs/dbraw/zinc/28/79/62/924287962.db2.gz SCSCLAICOKHOJW-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CCNC(=O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001394165946 924288719 /nfs/dbraw/zinc/28/87/19/924288719.db2.gz JILARKQUALHJJZ-UHFFFAOYSA-N 1 1 323.397 -1.119 20 0 DAADMO COC[C@H](O)CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001394167448 924289974 /nfs/dbraw/zinc/28/99/74/924289974.db2.gz WOVRVJIARDACJO-QWHCGFSZSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](NC(=O)CCNS(C)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001394225080 924290561 /nfs/dbraw/zinc/29/05/61/924290561.db2.gz PFJLUVLIVGZBQC-BDAKNGLRSA-N 1 1 320.415 -1.764 20 0 DAADMO COCC(=O)N[C@@H](C)C1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001394205446 924290642 /nfs/dbraw/zinc/29/06/42/924290642.db2.gz BJEAUIXOMLYMJI-JTQLQIEISA-N 1 1 307.416 -1.039 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001394213289 924291046 /nfs/dbraw/zinc/29/10/46/924291046.db2.gz IDXDSXIOPXZCDE-NXEZZACHSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H](NC(=O)CCNS(C)(=O)=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001394225091 924291510 /nfs/dbraw/zinc/29/15/10/924291510.db2.gz PFJLUVLIVGZBQC-RKDXNWHRSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001394253954 924292736 /nfs/dbraw/zinc/29/27/36/924292736.db2.gz OTYQKMKJDGZNLH-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001394247488 924293613 /nfs/dbraw/zinc/29/36/13/924293613.db2.gz IDLTXQDAIASRTH-VIFPVBQESA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001394294808 924294438 /nfs/dbraw/zinc/29/44/38/924294438.db2.gz IFVODOUDTLJCSK-FIQHERPVSA-N 1 1 308.382 -1.223 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001394296774 924295346 /nfs/dbraw/zinc/29/53/46/924295346.db2.gz ARNMOLWRJOHZNO-KKOKHZNYSA-N 1 1 319.427 -1.400 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001394312899 924296328 /nfs/dbraw/zinc/29/63/28/924296328.db2.gz BJDSIGPPWMNHKF-OWUUHHOZSA-N 1 1 323.353 -2.292 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001394302708 924296710 /nfs/dbraw/zinc/29/67/10/924296710.db2.gz RSPURSBKXIUKQV-DBIOUOCHSA-N 1 1 322.369 -1.948 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001394317432 924296866 /nfs/dbraw/zinc/29/68/66/924296866.db2.gz NKWZXCDIGAFLMT-CHWFTXMASA-N 1 1 304.354 -1.470 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001394317432 924296874 /nfs/dbraw/zinc/29/68/74/924296874.db2.gz NKWZXCDIGAFLMT-CHWFTXMASA-N 1 1 304.354 -1.470 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001394317432 924296881 /nfs/dbraw/zinc/29/68/81/924296881.db2.gz NKWZXCDIGAFLMT-CHWFTXMASA-N 1 1 304.354 -1.470 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CCC[N@H+](CCF)C2 ZINC001394355586 924299707 /nfs/dbraw/zinc/29/97/07/924299707.db2.gz YAQBYNIXZMHIDB-UHFFFAOYSA-N 1 1 322.406 -1.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CCC[N@@H+](CCF)C2 ZINC001394355586 924299716 /nfs/dbraw/zinc/29/97/16/924299716.db2.gz YAQBYNIXZMHIDB-UHFFFAOYSA-N 1 1 322.406 -1.066 20 0 DAADMO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001394374370 924302186 /nfs/dbraw/zinc/30/21/86/924302186.db2.gz ZEJDPCYDUWKFSF-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001394388220 924302301 /nfs/dbraw/zinc/30/23/01/924302301.db2.gz ZEGUVEXZCOLOAT-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001394384124 924302553 /nfs/dbraw/zinc/30/25/53/924302553.db2.gz AXHDZEWGWPQCNG-GFCCVEGCSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001394434953 924303118 /nfs/dbraw/zinc/30/31/18/924303118.db2.gz JNDODSBKKLDLPY-NXEZZACHSA-N 1 1 322.373 -1.782 20 0 DAADMO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001394487718 924304788 /nfs/dbraw/zinc/30/47/88/924304788.db2.gz MYSDFMFJLLJIQP-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)[NH2+][C@@H](C)c1nncn1C ZINC001394469111 924305077 /nfs/dbraw/zinc/30/50/77/924305077.db2.gz UPMBFHWGFPYQCO-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO CC[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001394570391 924311717 /nfs/dbraw/zinc/31/17/17/924311717.db2.gz IUNCINFGMIPLJW-WDEREUQCSA-N 1 1 314.386 -1.942 20 0 DAADMO CCn1nncc1CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394575350 924313607 /nfs/dbraw/zinc/31/36/07/924313607.db2.gz FZFJJTQKKSATSV-AAEUAGOBSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001394573502 924314295 /nfs/dbraw/zinc/31/42/95/924314295.db2.gz RGCXJPFWKICIQS-JQWIXIFHSA-N 1 1 313.358 -1.720 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)c2N)n1 ZINC001394582043 924319811 /nfs/dbraw/zinc/31/98/11/924319811.db2.gz GWDIPOYFOQOROT-SNVBAGLBSA-N 1 1 307.358 -1.384 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)c2N)n1 ZINC001394582039 924319944 /nfs/dbraw/zinc/31/99/44/924319944.db2.gz GWDIPOYFOQOROT-JTQLQIEISA-N 1 1 307.358 -1.384 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)n1 ZINC001394583170 924321209 /nfs/dbraw/zinc/32/12/09/924321209.db2.gz HIQAYWJOKYBYAG-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CCn2cncn2)n[nH]1 ZINC001394585630 924321649 /nfs/dbraw/zinc/32/16/49/924321649.db2.gz MNUMUMRLJBGWDB-SNVBAGLBSA-N 1 1 308.346 -1.986 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001394584706 924321706 /nfs/dbraw/zinc/32/17/06/924321706.db2.gz OFNUKSNPXNXJQE-ZDUSSCGKSA-N 1 1 323.397 -1.316 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001394583918 924321775 /nfs/dbraw/zinc/32/17/75/924321775.db2.gz QDONXQYKZCTDEB-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001394584696 924322335 /nfs/dbraw/zinc/32/23/35/924322335.db2.gz OFNUKSNPXNXJQE-CYBMUJFWSA-N 1 1 323.397 -1.316 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CCn2ccnn2)n1 ZINC001394587729 924324613 /nfs/dbraw/zinc/32/46/13/924324613.db2.gz PIXLHPSUUKMBCM-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)c2N)ncn1 ZINC001394589138 924326126 /nfs/dbraw/zinc/32/61/26/924326126.db2.gz VZJRDYXFZCBYFD-NSHDSACASA-N 1 1 319.369 -1.019 20 0 DAADMO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ncccc2O)C1=O ZINC001394589244 924326327 /nfs/dbraw/zinc/32/63/27/924326327.db2.gz XOHVFNGZWLMMEM-VHSXEESVSA-N 1 1 308.338 -1.302 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(N)=O)n1 ZINC001394589678 924326509 /nfs/dbraw/zinc/32/65/09/924326509.db2.gz UPEYZLKYVBOJMF-GXSJLCMTSA-N 1 1 312.374 -1.474 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001394590963 924327739 /nfs/dbraw/zinc/32/77/39/924327739.db2.gz DVLLDMJUVUPYGW-JTQLQIEISA-N 1 1 321.341 -1.326 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)ncn1 ZINC001394592094 924327854 /nfs/dbraw/zinc/32/78/54/924327854.db2.gz NAAJOCVXYZXBCH-YPMHNXCESA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)ncn1 ZINC001394592088 924328488 /nfs/dbraw/zinc/32/84/88/924328488.db2.gz NAAJOCVXYZXBCH-WCQYABFASA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cc(OCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001394593903 924329963 /nfs/dbraw/zinc/32/99/63/924329963.db2.gz NOWKMHXFAIFXSI-SNVBAGLBSA-N 1 1 324.341 -1.243 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394608421 924336151 /nfs/dbraw/zinc/33/61/51/924336151.db2.gz CLBMKUBVFCIBRS-ZYHUDNBSSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)c1 ZINC001394608644 924336227 /nfs/dbraw/zinc/33/62/27/924336227.db2.gz UFVMUPMSDCBYLR-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001394609485 924336337 /nfs/dbraw/zinc/33/63/37/924336337.db2.gz CMCQSCWAKFJBQL-MNOVXSKESA-N 1 1 310.358 -1.990 20 0 DAADMO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001394608829 924336534 /nfs/dbraw/zinc/33/65/34/924336534.db2.gz BOGQMAQXEYUOMP-AVGNSLFASA-N 1 1 303.403 -1.455 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)ncn1 ZINC001394612405 924337732 /nfs/dbraw/zinc/33/77/32/924337732.db2.gz HOYDIWQGXDOLBH-NWDGAFQWSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001394611159 924337932 /nfs/dbraw/zinc/33/79/32/924337932.db2.gz SMGYUIFQLCJBIC-LLVKDONJSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1ncnn1C ZINC001394614245 924339125 /nfs/dbraw/zinc/33/91/25/924339125.db2.gz PEIGHDJHWPVLQG-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001394616432 924339790 /nfs/dbraw/zinc/33/97/90/924339790.db2.gz SJONZDLHJZHXSC-ABAIWWIYSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001394616597 924340318 /nfs/dbraw/zinc/34/03/18/924340318.db2.gz NFSMRSNXJUGMOW-SECBINFHSA-N 1 1 308.342 -1.260 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)nn1C ZINC001394620834 924341166 /nfs/dbraw/zinc/34/11/66/924341166.db2.gz UZTVSCHKUPSKPM-JOYOIKCWSA-N 1 1 311.386 -1.193 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001394619300 924341655 /nfs/dbraw/zinc/34/16/55/924341655.db2.gz SCDLYUIRCGOGQS-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001394620586 924342578 /nfs/dbraw/zinc/34/25/78/924342578.db2.gz KWMROFHVILGVAU-NXEZZACHSA-N 1 1 324.385 -1.573 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001394625653 924343682 /nfs/dbraw/zinc/34/36/82/924343682.db2.gz ZXAWDWFYDQHSFZ-CYBMUJFWSA-N 1 1 314.430 -1.081 20 0 DAADMO CN1CCC[C@@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001394624334 924343880 /nfs/dbraw/zinc/34/38/80/924343880.db2.gz WLDOFPOIOBXGGK-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1cnnc1CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394623736 924344233 /nfs/dbraw/zinc/34/42/33/924344233.db2.gz NHZYMEVJVIRPCI-NEPJUHHUSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1cnnc1CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394623737 924344347 /nfs/dbraw/zinc/34/43/47/924344347.db2.gz NHZYMEVJVIRPCI-RYUDHWBXSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001394632770 924346778 /nfs/dbraw/zinc/34/67/78/924346778.db2.gz HXZANAFOZINYAC-AXFHLTTASA-N 1 1 310.354 -1.020 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001394632757 924347158 /nfs/dbraw/zinc/34/71/58/924347158.db2.gz HQCCITIDAGJJPK-YPMHNXCESA-N 1 1 312.414 -1.327 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001394640292 924348676 /nfs/dbraw/zinc/34/86/76/924348676.db2.gz AGEYWVUTNRJTQA-QWRGUYRKSA-N 1 1 323.353 -1.670 20 0 DAADMO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001394640555 924349687 /nfs/dbraw/zinc/34/96/87/924349687.db2.gz QDCXJFIYEYXNRE-ZYHUDNBSSA-N 1 1 321.385 -1.016 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001394645326 924352582 /nfs/dbraw/zinc/35/25/82/924352582.db2.gz VACFOOWMDOMIPL-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001394645326 924352592 /nfs/dbraw/zinc/35/25/92/924352592.db2.gz VACFOOWMDOMIPL-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001394651042 924354942 /nfs/dbraw/zinc/35/49/42/924354942.db2.gz XMDKCFHOJKTFAB-MNOVXSKESA-N 1 1 323.353 -1.670 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657050 924356741 /nfs/dbraw/zinc/35/67/41/924356741.db2.gz NWSUNOLHEQQNQN-WDEREUQCSA-N 1 1 307.416 -1.951 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657050 924356747 /nfs/dbraw/zinc/35/67/47/924356747.db2.gz NWSUNOLHEQQNQN-WDEREUQCSA-N 1 1 307.416 -1.951 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)[C@@H]1C ZINC001394662536 924359433 /nfs/dbraw/zinc/35/94/33/924359433.db2.gz NCNURKPSTYKDGZ-RKDXNWHRSA-N 1 1 323.357 -1.239 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCCC(N)=O ZINC001394677970 924360496 /nfs/dbraw/zinc/36/04/96/924360496.db2.gz HTTQPGPUKMOSEU-NXEZZACHSA-N 1 1 309.374 -1.055 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CNC(=O)NC)CCC[C@@H]12 ZINC001394672094 924361030 /nfs/dbraw/zinc/36/10/30/924361030.db2.gz BBNHCATYYBNQKR-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001394677774 924361343 /nfs/dbraw/zinc/36/13/43/924361343.db2.gz JAMJTQKHCCXJAD-SMDDNHRTSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccccn1 ZINC001394724821 924362634 /nfs/dbraw/zinc/36/26/34/924362634.db2.gz RATWXNRUECZEOD-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)oc1C ZINC001394718023 924363132 /nfs/dbraw/zinc/36/31/32/924363132.db2.gz IWGZNXRIAYKING-LLVKDONJSA-N 1 1 323.357 -1.113 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001394725991 924363998 /nfs/dbraw/zinc/36/39/98/924363998.db2.gz ODTBJDJGBOQUSF-SNVBAGLBSA-N 1 1 314.390 -1.017 20 0 DAADMO CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394730350 924364862 /nfs/dbraw/zinc/36/48/62/924364862.db2.gz KXALRBPRGVZYAP-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cccn2)[nH]1 ZINC001394727961 924365942 /nfs/dbraw/zinc/36/59/42/924365942.db2.gz LZNVTGCYEHSMJN-NSHDSACASA-N 1 1 307.358 -1.081 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001394731373 924366269 /nfs/dbraw/zinc/36/62/69/924366269.db2.gz OLLLDTVWKLJNQM-VHSXEESVSA-N 1 1 300.363 -1.456 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ncccc1O ZINC001394732691 924368510 /nfs/dbraw/zinc/36/85/10/924368510.db2.gz IEHIJZQWUASEHR-NXEZZACHSA-N 1 1 310.354 -1.056 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ncccc1O ZINC001394732693 924368569 /nfs/dbraw/zinc/36/85/69/924368569.db2.gz IEHIJZQWUASEHR-VHSXEESVSA-N 1 1 310.354 -1.056 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1nccnc1N ZINC001394735340 924369183 /nfs/dbraw/zinc/36/91/83/924369183.db2.gz MUVIJEPDJIDSNH-VIFPVBQESA-N 1 1 320.357 -1.590 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001394734509 924369388 /nfs/dbraw/zinc/36/93/88/924369388.db2.gz OWBADJSYIMTUHG-JTQLQIEISA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1nc[nH]n1 ZINC001394738174 924369407 /nfs/dbraw/zinc/36/94/07/924369407.db2.gz FBIQDGYQPYTAKI-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@@H]1CCOC1 ZINC001394735821 924370335 /nfs/dbraw/zinc/37/03/35/924370335.db2.gz PEGHKHJSQNMHFS-QWRGUYRKSA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001394740451 924371468 /nfs/dbraw/zinc/37/14/68/924371468.db2.gz LVYLLBQILGUVSH-RYUDHWBXSA-N 1 1 321.381 -1.136 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nocc1C ZINC001394743536 924372506 /nfs/dbraw/zinc/37/25/06/924372506.db2.gz SDQMZAZZSZNNLJ-JTQLQIEISA-N 1 1 313.358 -1.179 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]1(F)CCOC1 ZINC001394747993 924373630 /nfs/dbraw/zinc/37/36/30/924373630.db2.gz OZSCYIXFJPNWNX-AAEUAGOBSA-N 1 1 315.349 -1.147 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH]1 ZINC001394748160 924374670 /nfs/dbraw/zinc/37/46/70/924374670.db2.gz QQZRJLKSAFAREV-MEWQQHAOSA-N 1 1 309.370 -1.086 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccsn1 ZINC001394747876 924374807 /nfs/dbraw/zinc/37/48/07/924374807.db2.gz XWMATGQWZOHASA-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001394752814 924376079 /nfs/dbraw/zinc/37/60/79/924376079.db2.gz MIIQFTILGSTNCN-VIFPVBQESA-N 1 1 308.346 -1.361 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnc[nH]1 ZINC001394751541 924376450 /nfs/dbraw/zinc/37/64/50/924376450.db2.gz CPNLGVPETKUEKD-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001394751363 924376571 /nfs/dbraw/zinc/37/65/71/924376571.db2.gz NAXLEQUWTKFNSS-QWRGUYRKSA-N 1 1 322.369 -1.591 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccnnc1 ZINC001394753347 924376639 /nfs/dbraw/zinc/37/66/39/924376639.db2.gz IWJQJIJSOLHBOI-LBPRGKRZSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCc1cn[nH]c1 ZINC001394752874 924376969 /nfs/dbraw/zinc/37/69/69/924376969.db2.gz CJVWXPCMMOPUKR-LLVKDONJSA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001394753084 924377166 /nfs/dbraw/zinc/37/71/66/924377166.db2.gz QZMAOFSOUINTFF-SNVBAGLBSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001394756960 924378792 /nfs/dbraw/zinc/37/87/92/924378792.db2.gz HEIQHQZCJKPJDD-LLVKDONJSA-N 1 1 321.385 -1.002 20 0 DAADMO CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1)C(N)=O ZINC001394754410 924379363 /nfs/dbraw/zinc/37/93/63/924379363.db2.gz NDBCBRBKRWRMEY-NWDGAFQWSA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1)C(N)=O ZINC001394763951 924381695 /nfs/dbraw/zinc/38/16/95/924381695.db2.gz KVEPSPLRNOWTEE-PSASIEDQSA-N 1 1 320.353 -1.146 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001394764391 924382203 /nfs/dbraw/zinc/38/22/03/924382203.db2.gz QOTNOXOXOOGLDM-NSHDSACASA-N 1 1 302.375 -1.591 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1C ZINC001394764424 924382437 /nfs/dbraw/zinc/38/24/37/924382437.db2.gz AIARIAOHQIXPHC-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1C ZINC001394764424 924382444 /nfs/dbraw/zinc/38/24/44/924382444.db2.gz AIARIAOHQIXPHC-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001394772450 924382648 /nfs/dbraw/zinc/38/26/48/924382648.db2.gz XPMDSCOVBZADPN-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001394765688 924382783 /nfs/dbraw/zinc/38/27/83/924382783.db2.gz HBVCFCLSWDIOKG-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001394765688 924382792 /nfs/dbraw/zinc/38/27/92/924382792.db2.gz HBVCFCLSWDIOKG-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1ccnc1)c1nnnn1C ZINC001394767636 924382946 /nfs/dbraw/zinc/38/29/46/924382946.db2.gz ZBOUVEZWSVIMFK-MNOVXSKESA-N 1 1 322.373 -1.423 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)n(C)n1 ZINC001394772891 924383132 /nfs/dbraw/zinc/38/31/32/924383132.db2.gz ZVXDUHSKINPCRR-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)n(C)n1 ZINC001394772891 924383138 /nfs/dbraw/zinc/38/31/38/924383138.db2.gz ZVXDUHSKINPCRR-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001394767830 924383398 /nfs/dbraw/zinc/38/33/98/924383398.db2.gz JUMIMDGRXPDYSZ-CHWSQXEVSA-N 1 1 314.386 -1.208 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001394769566 924383809 /nfs/dbraw/zinc/38/38/09/924383809.db2.gz QZFZNVCFYONVIG-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001394769566 924383819 /nfs/dbraw/zinc/38/38/19/924383819.db2.gz QZFZNVCFYONVIG-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394766655 924384109 /nfs/dbraw/zinc/38/41/09/924384109.db2.gz BNSDXRHODMPSKH-GHMZBOCLSA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394766655 924384116 /nfs/dbraw/zinc/38/41/16/924384116.db2.gz BNSDXRHODMPSKH-GHMZBOCLSA-N 1 1 315.370 -1.563 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001394775378 924384944 /nfs/dbraw/zinc/38/49/44/924384944.db2.gz KFHSEHABMDBMFB-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001394775378 924384946 /nfs/dbraw/zinc/38/49/46/924384946.db2.gz KFHSEHABMDBMFB-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001394777109 924385049 /nfs/dbraw/zinc/38/50/49/924385049.db2.gz MOTAKYLCJWLJLK-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001394777109 924385054 /nfs/dbraw/zinc/38/50/54/924385054.db2.gz MOTAKYLCJWLJLK-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001394775462 924385348 /nfs/dbraw/zinc/38/53/48/924385348.db2.gz HMWDXISUICZJAS-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CN(C)S(C)(=O)=O ZINC001394776371 924385434 /nfs/dbraw/zinc/38/54/34/924385434.db2.gz KOFPMEOMZUEYMV-SNVBAGLBSA-N 1 1 313.395 -1.402 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CN(C)S(C)(=O)=O ZINC001394776371 924385443 /nfs/dbraw/zinc/38/54/43/924385443.db2.gz KOFPMEOMZUEYMV-SNVBAGLBSA-N 1 1 313.395 -1.402 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001394777500 924385462 /nfs/dbraw/zinc/38/54/62/924385462.db2.gz XZPNOYBQAJNACW-IJLUTSLNSA-N 1 1 300.403 -1.437 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001394773001 924385516 /nfs/dbraw/zinc/38/55/16/924385516.db2.gz VELYQIYUXMSBGD-NWDGAFQWSA-N 1 1 314.386 -1.208 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001394777498 924385537 /nfs/dbraw/zinc/38/55/37/924385537.db2.gz XZPNOYBQAJNACW-GRYCIOLGSA-N 1 1 300.403 -1.437 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775588 924385733 /nfs/dbraw/zinc/38/57/33/924385733.db2.gz ZDHPBWZQYXUXEZ-BDAKNGLRSA-N 1 1 310.358 -1.703 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775588 924385735 /nfs/dbraw/zinc/38/57/35/924385735.db2.gz ZDHPBWZQYXUXEZ-BDAKNGLRSA-N 1 1 310.358 -1.703 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001394777949 924386150 /nfs/dbraw/zinc/38/61/50/924386150.db2.gz WGHCHUDALPXIIT-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001394777949 924386157 /nfs/dbraw/zinc/38/61/57/924386157.db2.gz WGHCHUDALPXIIT-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001394773216 924386569 /nfs/dbraw/zinc/38/65/69/924386569.db2.gz FVJIYGSLKLTBBV-NSHDSACASA-N 1 1 324.385 -1.200 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)Cn1cnnn1 ZINC001394773399 924386592 /nfs/dbraw/zinc/38/65/92/924386592.db2.gz ZUMWSWXPVVALKE-VXGBXAGGSA-N 1 1 312.374 -1.539 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774866 924386844 /nfs/dbraw/zinc/38/68/44/924386844.db2.gz BLWUHXHDKCGMAO-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774866 924386853 /nfs/dbraw/zinc/38/68/53/924386853.db2.gz BLWUHXHDKCGMAO-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775589 924386868 /nfs/dbraw/zinc/38/68/68/924386868.db2.gz ZDHPBWZQYXUXEZ-DTWKUNHWSA-N 1 1 310.358 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775589 924386873 /nfs/dbraw/zinc/38/68/73/924386873.db2.gz ZDHPBWZQYXUXEZ-DTWKUNHWSA-N 1 1 310.358 -1.703 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)ncn1 ZINC001394777074 924387056 /nfs/dbraw/zinc/38/70/56/924387056.db2.gz WDRNZLJSIYRKBC-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)ncn1 ZINC001394777074 924387062 /nfs/dbraw/zinc/38/70/62/924387062.db2.gz WDRNZLJSIYRKBC-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394782804 924387430 /nfs/dbraw/zinc/38/74/30/924387430.db2.gz JXIRNYOJQHHPFG-BNDIWNMDSA-N 1 1 311.382 -1.482 20 0 DAADMO CCCn1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nn1 ZINC001394780557 924387613 /nfs/dbraw/zinc/38/76/13/924387613.db2.gz LTJGDIJKABUNHJ-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO CCCn1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nn1 ZINC001394780557 924387625 /nfs/dbraw/zinc/38/76/25/924387625.db2.gz LTJGDIJKABUNHJ-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO COc1ccc(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nc1 ZINC001394781554 924387644 /nfs/dbraw/zinc/38/76/44/924387644.db2.gz GSHVZQGRKVTZLW-GFCCVEGCSA-N 1 1 324.381 -1.131 20 0 DAADMO COc1ccc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nc1 ZINC001394781554 924387648 /nfs/dbraw/zinc/38/76/48/924387648.db2.gz GSHVZQGRKVTZLW-GFCCVEGCSA-N 1 1 324.381 -1.131 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001394780467 924387889 /nfs/dbraw/zinc/38/78/89/924387889.db2.gz BKOCDXZLBZWGCS-NEPJUHHUSA-N 1 1 312.370 -1.151 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786619 924388067 /nfs/dbraw/zinc/38/80/67/924388067.db2.gz BFPZIBADOLOQGU-NWDGAFQWSA-N 1 1 324.381 -1.527 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786619 924388072 /nfs/dbraw/zinc/38/80/72/924388072.db2.gz BFPZIBADOLOQGU-NWDGAFQWSA-N 1 1 324.381 -1.527 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394779900 924388285 /nfs/dbraw/zinc/38/82/85/924388285.db2.gz JJUDTEGODRYOHZ-ZJUUUORDSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394779900 924388290 /nfs/dbraw/zinc/38/82/90/924388290.db2.gz JJUDTEGODRYOHZ-ZJUUUORDSA-N 1 1 313.358 -1.455 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394784289 924388400 /nfs/dbraw/zinc/38/84/00/924388400.db2.gz GRISIDRQDHZVPF-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001394780198 924388611 /nfs/dbraw/zinc/38/86/11/924388611.db2.gz WRALUOUYTMKRNU-LLVKDONJSA-N 1 1 312.370 -1.682 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001394779120 924388827 /nfs/dbraw/zinc/38/88/27/924388827.db2.gz UXQZKPCBLQRYGE-LLVKDONJSA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001394779120 924388834 /nfs/dbraw/zinc/38/88/34/924388834.db2.gz UXQZKPCBLQRYGE-LLVKDONJSA-N 1 1 308.400 -1.836 20 0 DAADMO Cc1cnc2nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)nn2c1 ZINC001394781874 924389322 /nfs/dbraw/zinc/38/93/22/924389322.db2.gz BRQYFRVYQUXJQJ-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783844 924389665 /nfs/dbraw/zinc/38/96/65/924389665.db2.gz NAOZOIKTEQYGRH-BDAKNGLRSA-N 1 1 304.322 -1.695 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783844 924389672 /nfs/dbraw/zinc/38/96/72/924389672.db2.gz NAOZOIKTEQYGRH-BDAKNGLRSA-N 1 1 304.322 -1.695 20 0 DAADMO Cc1cnc2nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)nn2c1 ZINC001394781871 924389682 /nfs/dbraw/zinc/38/96/82/924389682.db2.gz BRQYFRVYQUXJQJ-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1cncn1 ZINC001394790761 924390361 /nfs/dbraw/zinc/39/03/61/924390361.db2.gz KBPGJBKPHSDKGG-ZDUSSCGKSA-N 1 1 321.385 -1.037 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394794984 924390541 /nfs/dbraw/zinc/39/05/41/924390541.db2.gz YKUCSDRHKWTIMJ-GFCCVEGCSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394794984 924390551 /nfs/dbraw/zinc/39/05/51/924390551.db2.gz YKUCSDRHKWTIMJ-GFCCVEGCSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1cncn1 ZINC001394790759 924391015 /nfs/dbraw/zinc/39/10/15/924391015.db2.gz KBPGJBKPHSDKGG-CYBMUJFWSA-N 1 1 321.385 -1.037 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001394795904 924391258 /nfs/dbraw/zinc/39/12/58/924391258.db2.gz XNYSFTLDXPHTMA-NWDGAFQWSA-N 1 1 324.385 -1.740 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC(=O)N1C ZINC001394787734 924391463 /nfs/dbraw/zinc/39/14/63/924391463.db2.gz LSXJDSDGAJPLKW-RYUDHWBXSA-N 1 1 301.387 -1.259 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001394793007 924391528 /nfs/dbraw/zinc/39/15/28/924391528.db2.gz PPULSSXWTNGSRG-RYUDHWBXSA-N 1 1 324.443 -1.059 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001394793007 924391535 /nfs/dbraw/zinc/39/15/35/924391535.db2.gz PPULSSXWTNGSRG-RYUDHWBXSA-N 1 1 324.443 -1.059 20 0 DAADMO CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394789695 924391680 /nfs/dbraw/zinc/39/16/80/924391680.db2.gz PMLJPAUGWQTOIS-VXGBXAGGSA-N 1 1 300.403 -1.293 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(C(N)=O)n1 ZINC001394793195 924391944 /nfs/dbraw/zinc/39/19/44/924391944.db2.gz UOKOUSKVGYXHNO-QWRGUYRKSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C[C@@H]1CCC(=O)N1 ZINC001394791467 924392128 /nfs/dbraw/zinc/39/21/28/924392128.db2.gz XODPJSZSEMDPBN-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001394793261 924392320 /nfs/dbraw/zinc/39/23/20/924392320.db2.gz VBRRZVCKKOYBED-RYUDHWBXSA-N 1 1 316.402 -1.337 20 0 DAADMO CN(C[C@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796419 924393692 /nfs/dbraw/zinc/39/36/92/924393692.db2.gz ZADBKDSNLHRSAL-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)C[C@@H]1CCOC1 ZINC001394839662 924393929 /nfs/dbraw/zinc/39/39/29/924393929.db2.gz OVFRUVHIHARSNX-NSHDSACASA-N 1 1 312.374 -1.075 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCN(C)C1=O ZINC001394834065 924394636 /nfs/dbraw/zinc/39/46/36/924394636.db2.gz VGWQQTBUOBVRSL-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCN(C)C1=O ZINC001394834065 924394642 /nfs/dbraw/zinc/39/46/42/924394642.db2.gz VGWQQTBUOBVRSL-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)C[C@H](C)O ZINC001394830002 924394666 /nfs/dbraw/zinc/39/46/66/924394666.db2.gz XKVXKOQVHCAJTP-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395033034 924399749 /nfs/dbraw/zinc/39/97/49/924399749.db2.gz AGKYQBYYXFTYQG-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CN=NC1=O ZINC001395090329 924401268 /nfs/dbraw/zinc/40/12/68/924401268.db2.gz LMQHGOIVBSMXPT-MNOVXSKESA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395064527 924401443 /nfs/dbraw/zinc/40/14/43/924401443.db2.gz ZWMGCRYFHSSBOC-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)Cn1cnnn1 ZINC001395132239 924404274 /nfs/dbraw/zinc/40/42/74/924404274.db2.gz CMGAVEIJNYVXCE-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001395201175 924409245 /nfs/dbraw/zinc/40/92/45/924409245.db2.gz PKIMDHRZGFNNDP-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001395428023 924415074 /nfs/dbraw/zinc/41/50/74/924415074.db2.gz OMCSBRZXSBTIRG-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395647245 924423584 /nfs/dbraw/zinc/42/35/84/924423584.db2.gz YQBQJRQRYNUYDP-UWVGGRQHSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1cnnn1 ZINC001395668542 924425041 /nfs/dbraw/zinc/42/50/41/924425041.db2.gz ICKFSXYGRCCMSM-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1cnnn1 ZINC001395668543 924425179 /nfs/dbraw/zinc/42/51/79/924425179.db2.gz ICKFSXYGRCCMSM-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1cccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395701593 924439023 /nfs/dbraw/zinc/43/90/23/924439023.db2.gz MFFGOMLZOCHSPF-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395701593 924439027 /nfs/dbraw/zinc/43/90/27/924439027.db2.gz MFFGOMLZOCHSPF-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO CSCCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395702062 924440429 /nfs/dbraw/zinc/44/04/29/924440429.db2.gz NHQXBAVQHNTBBJ-WDEREUQCSA-N 1 1 319.427 -1.337 20 0 DAADMO CSCCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395702062 924440435 /nfs/dbraw/zinc/44/04/35/924440435.db2.gz NHQXBAVQHNTBBJ-WDEREUQCSA-N 1 1 319.427 -1.337 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703886 924440893 /nfs/dbraw/zinc/44/08/93/924440893.db2.gz VJPMNAUGRQCWKH-ZJUUUORDSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703886 924440899 /nfs/dbraw/zinc/44/08/99/924440899.db2.gz VJPMNAUGRQCWKH-ZJUUUORDSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705778 924442151 /nfs/dbraw/zinc/44/21/51/924442151.db2.gz FRDDNRONLBGKEF-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705778 924442157 /nfs/dbraw/zinc/44/21/57/924442157.db2.gz FRDDNRONLBGKEF-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395709681 924444092 /nfs/dbraw/zinc/44/40/92/924444092.db2.gz MTEYALGDAICOLV-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001395712503 924445078 /nfs/dbraw/zinc/44/50/78/924445078.db2.gz BCPGGBDVZIQYGA-UWVGGRQHSA-N 1 1 324.385 -1.839 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001395713844 924445544 /nfs/dbraw/zinc/44/55/44/924445544.db2.gz HFMDIAXFWXFLSZ-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001395712507 924445557 /nfs/dbraw/zinc/44/55/57/924445557.db2.gz BCPGGBDVZIQYGA-VHSXEESVSA-N 1 1 324.385 -1.839 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnnn1C ZINC001395716880 924447414 /nfs/dbraw/zinc/44/74/14/924447414.db2.gz QKAHBDJBABNUBY-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395717591 924448596 /nfs/dbraw/zinc/44/85/96/924448596.db2.gz UFUAEGXZFMZGEK-UWVGGRQHSA-N 1 1 310.358 -1.884 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001395723001 924449718 /nfs/dbraw/zinc/44/97/18/924449718.db2.gz FYWMTIWROAIJGS-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001395726237 924450736 /nfs/dbraw/zinc/45/07/36/924450736.db2.gz RDPZNEPPAGNFLE-ZJUUUORDSA-N 1 1 316.358 -1.972 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncn(C)n2)C1 ZINC001395723613 924451165 /nfs/dbraw/zinc/45/11/65/924451165.db2.gz HCDXGSJNIGLVLI-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCNC(N)=O)C1 ZINC001395725252 924451232 /nfs/dbraw/zinc/45/12/32/924451232.db2.gz ADOZJQUDKJWJNX-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001395726230 924451754 /nfs/dbraw/zinc/45/17/54/924451754.db2.gz RDPZNEPPAGNFLE-NXEZZACHSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001395733388 924454461 /nfs/dbraw/zinc/45/44/61/924454461.db2.gz BVNDVNGWDVHHHY-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001395733390 924454619 /nfs/dbraw/zinc/45/46/19/924454619.db2.gz BVNDVNGWDVHHHY-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001395739405 924455863 /nfs/dbraw/zinc/45/58/63/924455863.db2.gz AMXYXBQZZLWUNU-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001395736818 924456517 /nfs/dbraw/zinc/45/65/17/924456517.db2.gz LYZBJAOFOODRLE-YPMHNXCESA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]n1 ZINC001395736818 924456526 /nfs/dbraw/zinc/45/65/26/924456526.db2.gz LYZBJAOFOODRLE-YPMHNXCESA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001395736818 924456532 /nfs/dbraw/zinc/45/65/32/924456532.db2.gz LYZBJAOFOODRLE-YPMHNXCESA-N 1 1 323.397 -1.194 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395745061 924459511 /nfs/dbraw/zinc/45/95/11/924459511.db2.gz RCTJLVPNGZFSRA-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ncn(C)n1 ZINC001395744776 924460478 /nfs/dbraw/zinc/46/04/78/924460478.db2.gz QMGIPECBTGGZMR-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395751986 924460978 /nfs/dbraw/zinc/46/09/78/924460978.db2.gz BRZVUBRMJALNCF-ZJUUUORDSA-N 1 1 311.342 -1.463 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395751980 924461433 /nfs/dbraw/zinc/46/14/33/924461433.db2.gz BRZVUBRMJALNCF-NXEZZACHSA-N 1 1 311.342 -1.463 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1)C1CCC1 ZINC001395748567 924461907 /nfs/dbraw/zinc/46/19/07/924461907.db2.gz PFFSIIZWMQLQSS-LBPRGKRZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCCC(N)=O ZINC001395754241 924463694 /nfs/dbraw/zinc/46/36/94/924463694.db2.gz ARJGWSQECLGSFH-GHMZBOCLSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001395762625 924466461 /nfs/dbraw/zinc/46/64/61/924466461.db2.gz FMGSGOIMPXWPJD-WDEREUQCSA-N 1 1 324.385 -1.338 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001395762859 924467099 /nfs/dbraw/zinc/46/70/99/924467099.db2.gz QLCYEZFTBCKTDW-GHMZBOCLSA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2nnc[nH]2)C1 ZINC001395767008 924467986 /nfs/dbraw/zinc/46/79/86/924467986.db2.gz QWVYZWUKTXBUOX-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767008 924467993 /nfs/dbraw/zinc/46/79/93/924467993.db2.gz QWVYZWUKTXBUOX-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767008 924468001 /nfs/dbraw/zinc/46/80/01/924468001.db2.gz QWVYZWUKTXBUOX-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767008 924468008 /nfs/dbraw/zinc/46/80/08/924468008.db2.gz QWVYZWUKTXBUOX-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767008 924468012 /nfs/dbraw/zinc/46/80/12/924468012.db2.gz QWVYZWUKTXBUOX-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2nnc[nH]2)C1 ZINC001395767010 924469009 /nfs/dbraw/zinc/46/90/09/924469009.db2.gz QWVYZWUKTXBUOX-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767010 924469015 /nfs/dbraw/zinc/46/90/15/924469015.db2.gz QWVYZWUKTXBUOX-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767010 924469020 /nfs/dbraw/zinc/46/90/20/924469020.db2.gz QWVYZWUKTXBUOX-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767010 924469024 /nfs/dbraw/zinc/46/90/24/924469024.db2.gz QWVYZWUKTXBUOX-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767010 924469028 /nfs/dbraw/zinc/46/90/28/924469028.db2.gz QWVYZWUKTXBUOX-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001395769399 924469458 /nfs/dbraw/zinc/46/94/58/924469458.db2.gz ASQXKDYLUZIXKH-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001395770628 924470331 /nfs/dbraw/zinc/47/03/31/924470331.db2.gz XNYXTXCXDSZOLT-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001395771076 924470486 /nfs/dbraw/zinc/47/04/86/924470486.db2.gz JVEVHOQYBLYRHI-UWVGGRQHSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395771077 924470542 /nfs/dbraw/zinc/47/05/42/924470542.db2.gz JVEVHOQYBLYRHI-VHSXEESVSA-N 1 1 310.358 -1.586 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001395778261 924474110 /nfs/dbraw/zinc/47/41/10/924474110.db2.gz BXCDSUQPRUMRMC-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778261 924474118 /nfs/dbraw/zinc/47/41/18/924474118.db2.gz BXCDSUQPRUMRMC-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778261 924474123 /nfs/dbraw/zinc/47/41/23/924474123.db2.gz BXCDSUQPRUMRMC-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778261 924474131 /nfs/dbraw/zinc/47/41/31/924474131.db2.gz BXCDSUQPRUMRMC-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778261 924474136 /nfs/dbraw/zinc/47/41/36/924474136.db2.gz BXCDSUQPRUMRMC-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnon2)C1 ZINC001395790220 924476767 /nfs/dbraw/zinc/47/67/67/924476767.db2.gz GOODTLAPBJYWND-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnon2)C1 ZINC001395790217 924477102 /nfs/dbraw/zinc/47/71/02/924477102.db2.gz GOODTLAPBJYWND-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001395787097 924477553 /nfs/dbraw/zinc/47/75/53/924477553.db2.gz OQDLTNOFQGEAMB-KOLCDFICSA-N 1 1 323.353 -1.929 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncccn1 ZINC001395793885 924478602 /nfs/dbraw/zinc/47/86/02/924478602.db2.gz OEVAHMCZBXWORF-MNOVXSKESA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cccnn1 ZINC001395792516 924478893 /nfs/dbraw/zinc/47/88/93/924478893.db2.gz NWBBIEIHWVUXCT-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2n[nH]cc2F)C1 ZINC001395797127 924481021 /nfs/dbraw/zinc/48/10/21/924481021.db2.gz JVCMWSMUHCISFP-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797127 924481025 /nfs/dbraw/zinc/48/10/25/924481025.db2.gz JVCMWSMUHCISFP-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797127 924481030 /nfs/dbraw/zinc/48/10/30/924481030.db2.gz JVCMWSMUHCISFP-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001395805232 924481407 /nfs/dbraw/zinc/48/14/07/924481407.db2.gz GOPPUMKOTZBODS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395805232 924481417 /nfs/dbraw/zinc/48/14/17/924481417.db2.gz GOPPUMKOTZBODS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395805232 924481424 /nfs/dbraw/zinc/48/14/24/924481424.db2.gz GOPPUMKOTZBODS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cncn2C)C1 ZINC001395808232 924482613 /nfs/dbraw/zinc/48/26/13/924482613.db2.gz PBASLLDEXHUTRN-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001395810356 924483547 /nfs/dbraw/zinc/48/35/47/924483547.db2.gz CXOCJVGIHNVVCV-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnn(C)n2)C1 ZINC001395809075 924484267 /nfs/dbraw/zinc/48/42/67/924484267.db2.gz RJJXRGLDJFNWKW-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001395812659 924484673 /nfs/dbraw/zinc/48/46/73/924484673.db2.gz GXTNLURRCNLJBU-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001395817071 924486325 /nfs/dbraw/zinc/48/63/25/924486325.db2.gz JMKFUCWYEMTZSV-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817071 924486331 /nfs/dbraw/zinc/48/63/31/924486331.db2.gz JMKFUCWYEMTZSV-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817071 924486334 /nfs/dbraw/zinc/48/63/34/924486334.db2.gz JMKFUCWYEMTZSV-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnn(C)n1 ZINC001396039865 924502264 /nfs/dbraw/zinc/50/22/64/924502264.db2.gz SPSLGCCZHAUFJJ-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036730 924502878 /nfs/dbraw/zinc/50/28/78/924502878.db2.gz CTDADXCUIAORJL-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036730 924502886 /nfs/dbraw/zinc/50/28/86/924502886.db2.gz CTDADXCUIAORJL-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnn(C)n1 ZINC001396039864 924502908 /nfs/dbraw/zinc/50/29/08/924502908.db2.gz SPSLGCCZHAUFJJ-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)CNC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001396042719 924504349 /nfs/dbraw/zinc/50/43/49/924504349.db2.gz ZPTNTARGNIVCAS-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001396053016 924506284 /nfs/dbraw/zinc/50/62/84/924506284.db2.gz PXBVTLSTPXVVKF-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)COC ZINC001396148816 924509672 /nfs/dbraw/zinc/50/96/72/924509672.db2.gz BCGUMDHJJVZSBU-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)COC ZINC001396148816 924509679 /nfs/dbraw/zinc/50/96/79/924509679.db2.gz BCGUMDHJJVZSBU-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001396368367 924512326 /nfs/dbraw/zinc/51/23/26/924512326.db2.gz RCDLSJZZQHONCX-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001396374951 924513674 /nfs/dbraw/zinc/51/36/74/924513674.db2.gz MPDQPXBARAMOLR-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001396374951 924513679 /nfs/dbraw/zinc/51/36/79/924513679.db2.gz MPDQPXBARAMOLR-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1 ZINC001396378972 924515896 /nfs/dbraw/zinc/51/58/96/924515896.db2.gz INXTXKMKZBVTNZ-IJLUTSLNSA-N 1 1 313.398 -1.213 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001396389148 924517976 /nfs/dbraw/zinc/51/79/76/924517976.db2.gz NGKZODFANUPEAI-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001396466139 924528050 /nfs/dbraw/zinc/52/80/50/924528050.db2.gz XGDBPBQWICUQTJ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001396472614 924528579 /nfs/dbraw/zinc/52/85/79/924528579.db2.gz BFIYSKZFQDLSKM-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001397006967 924553156 /nfs/dbraw/zinc/55/31/56/924553156.db2.gz WCCSRCHFERYVIQ-QWRGUYRKSA-N 1 1 310.354 -1.077 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)CN1CCCCS1(=O)=O ZINC001396988178 924553401 /nfs/dbraw/zinc/55/34/01/924553401.db2.gz BKCVRYVANFYJQW-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001397024460 924553904 /nfs/dbraw/zinc/55/39/04/924553904.db2.gz VCBOHDZRARYNSN-VXGBXAGGSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001397029708 924555332 /nfs/dbraw/zinc/55/53/32/924555332.db2.gz VFIQDESEFPQCRC-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CCCO2)n1 ZINC001397176061 924561044 /nfs/dbraw/zinc/56/10/44/924561044.db2.gz SWYFRKQINVIRDZ-SNVBAGLBSA-N 1 1 323.353 -1.058 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCOC2)n1 ZINC001397176039 924561888 /nfs/dbraw/zinc/56/18/88/924561888.db2.gz VYSJRGNPGXPRIB-QMMMGPOBSA-N 1 1 309.326 -1.590 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001397214882 924562879 /nfs/dbraw/zinc/56/28/79/924562879.db2.gz LJGHXOJVPMGDNJ-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1C[C@@H](O)COC ZINC001397195044 924563060 /nfs/dbraw/zinc/56/30/60/924563060.db2.gz KOZHZLWONJAPCU-OUAUKWLOSA-N 1 1 312.374 -1.200 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)C[C@@H]2C1 ZINC001397209251 924563213 /nfs/dbraw/zinc/56/32/13/924563213.db2.gz JPPWRQMRENZWAN-MNOVXSKESA-N 1 1 311.386 -1.558 20 0 DAADMO COCC[N@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001397210222 924563368 /nfs/dbraw/zinc/56/33/68/924563368.db2.gz GOWMVOJZSGMUTL-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001397210222 924563374 /nfs/dbraw/zinc/56/33/74/924563374.db2.gz GOWMVOJZSGMUTL-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001397213981 924563995 /nfs/dbraw/zinc/56/39/95/924563995.db2.gz JJEXTFFJMIMOQL-GRYCIOLGSA-N 1 1 324.385 -1.389 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001397221672 924564814 /nfs/dbraw/zinc/56/48/14/924564814.db2.gz VJUVKMAUFYYUDX-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001397219699 924564894 /nfs/dbraw/zinc/56/48/94/924564894.db2.gz URVHJNYPZFVGMS-LLVKDONJSA-N 1 1 313.354 -1.355 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001397219699 924564904 /nfs/dbraw/zinc/56/49/04/924564904.db2.gz URVHJNYPZFVGMS-LLVKDONJSA-N 1 1 313.354 -1.355 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397229047 924564971 /nfs/dbraw/zinc/56/49/71/924564971.db2.gz MDARLPSWSPPZFY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001397229047 924564976 /nfs/dbraw/zinc/56/49/76/924564976.db2.gz MDARLPSWSPPZFY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001397279963 924567667 /nfs/dbraw/zinc/56/76/67/924567667.db2.gz KCFVMZKGPKWGRP-AOOOYVTPSA-N 1 1 309.374 -1.071 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001397344637 924570963 /nfs/dbraw/zinc/57/09/63/924570963.db2.gz XYOHVSCORMZVOU-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397374266 924572126 /nfs/dbraw/zinc/57/21/26/924572126.db2.gz CEOXNPGIANZJHQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397374266 924572135 /nfs/dbraw/zinc/57/21/35/924572135.db2.gz CEOXNPGIANZJHQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397405124 924575771 /nfs/dbraw/zinc/57/57/71/924575771.db2.gz XHTMXOOUWFXWCE-WPRPVWTQSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397405124 924575777 /nfs/dbraw/zinc/57/57/77/924575777.db2.gz XHTMXOOUWFXWCE-WPRPVWTQSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397430345 924578937 /nfs/dbraw/zinc/57/89/37/924578937.db2.gz UWEKOSAPNBAZGJ-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397430345 924578942 /nfs/dbraw/zinc/57/89/42/924578942.db2.gz UWEKOSAPNBAZGJ-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(NC(N)=O)CC1 ZINC001397449134 924579058 /nfs/dbraw/zinc/57/90/58/924579058.db2.gz QIHMWMJSENOBNC-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397447015 924579493 /nfs/dbraw/zinc/57/94/93/924579493.db2.gz FZUKAIUQLCNBJZ-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397457727 924580758 /nfs/dbraw/zinc/58/07/58/924580758.db2.gz WORLRZRXPYTCMP-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397457727 924580765 /nfs/dbraw/zinc/58/07/65/924580765.db2.gz WORLRZRXPYTCMP-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCCO)C(N)=O ZINC001397547393 924587643 /nfs/dbraw/zinc/58/76/43/924587643.db2.gz HORPPTFCEPJCMG-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001397549112 924589373 /nfs/dbraw/zinc/58/93/73/924589373.db2.gz MYKWTDZEJOMVIL-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+]CC(=O)NC2CC2)cc(=O)[nH]1 ZINC001397735224 924596226 /nfs/dbraw/zinc/59/62/26/924596226.db2.gz WBOQPUNVRJVYHT-UHFFFAOYSA-N 1 1 323.353 -1.187 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@H]2CCN(C)C2=O)cc(=O)[nH]1 ZINC001397736809 924596707 /nfs/dbraw/zinc/59/67/07/924596707.db2.gz YFCANCOVFIQJKV-JTQLQIEISA-N 1 1 323.353 -1.235 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)[C@@H]1C ZINC001397790877 924600616 /nfs/dbraw/zinc/60/06/16/924600616.db2.gz CKNYNXKXQVKGIQ-MXWKQRLJSA-N 1 1 302.375 -1.498 20 0 DAADMO C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397825174 924601262 /nfs/dbraw/zinc/60/12/62/924601262.db2.gz WSGVBBOZFUMHIA-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397825174 924601264 /nfs/dbraw/zinc/60/12/64/924601264.db2.gz WSGVBBOZFUMHIA-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccn(C)n1 ZINC001397882946 924606764 /nfs/dbraw/zinc/60/67/64/924606764.db2.gz LLGMZRMQWAJJAF-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccn(C)n1 ZINC001397882946 924606767 /nfs/dbraw/zinc/60/67/67/924606767.db2.gz LLGMZRMQWAJJAF-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397891883 924607709 /nfs/dbraw/zinc/60/77/09/924607709.db2.gz WIDJEOFDNCGXAU-SNVBAGLBSA-N 1 1 310.358 -1.368 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397891883 924607716 /nfs/dbraw/zinc/60/77/16/924607716.db2.gz WIDJEOFDNCGXAU-SNVBAGLBSA-N 1 1 310.358 -1.368 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CN1CN=NC1=O ZINC001397986525 924617508 /nfs/dbraw/zinc/61/75/08/924617508.db2.gz JFZNUAKGKOCYLF-UHFFFAOYSA-N 1 1 312.374 -1.100 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)Cn2ncnn2)C1 ZINC001398037134 924621690 /nfs/dbraw/zinc/62/16/90/924621690.db2.gz BDWLJACXFYYGFT-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001398091506 924625019 /nfs/dbraw/zinc/62/50/19/924625019.db2.gz YFQJUYDUDLLHDS-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)Cn1cc[nH+]c1C ZINC001398140517 924625715 /nfs/dbraw/zinc/62/57/15/924625715.db2.gz ZLHCYCGEBYALLV-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO CCN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)Cn1cc[nH+]c1C ZINC001398140511 924626736 /nfs/dbraw/zinc/62/67/36/924626736.db2.gz ZLHCYCGEBYALLV-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001398286129 924634164 /nfs/dbraw/zinc/63/41/64/924634164.db2.gz UWVZTTJLINAPLT-CHWSQXEVSA-N 1 1 309.370 -1.429 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001398296671 924636061 /nfs/dbraw/zinc/63/60/61/924636061.db2.gz ARODSBQYFDRBLC-PWSUYJOCSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001398296671 924636067 /nfs/dbraw/zinc/63/60/67/924636067.db2.gz ARODSBQYFDRBLC-PWSUYJOCSA-N 1 1 319.365 -1.124 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398300417 924636661 /nfs/dbraw/zinc/63/66/61/924636661.db2.gz KDAZHEDQIPCBDK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398300417 924636663 /nfs/dbraw/zinc/63/66/63/924636663.db2.gz KDAZHEDQIPCBDK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001398332941 924637585 /nfs/dbraw/zinc/63/75/85/924637585.db2.gz TWANAZGHGMNNKQ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338964 924637809 /nfs/dbraw/zinc/63/78/09/924637809.db2.gz ORDQJMNHIKVPEA-VHSXEESVSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338964 924637817 /nfs/dbraw/zinc/63/78/17/924637817.db2.gz ORDQJMNHIKVPEA-VHSXEESVSA-N 1 1 322.369 -1.013 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001398331004 924638013 /nfs/dbraw/zinc/63/80/13/924638013.db2.gz GSLWJWSDLRBZPZ-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001398357452 924638416 /nfs/dbraw/zinc/63/84/16/924638416.db2.gz OYUYEESDCCHLIO-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 ZINC001398399401 924640615 /nfs/dbraw/zinc/64/06/15/924640615.db2.gz KRRKNCLCBKMEMJ-GHMZBOCLSA-N 1 1 308.342 -1.092 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1cnn(C)n1)C1CC1 ZINC001398390850 924641258 /nfs/dbraw/zinc/64/12/58/924641258.db2.gz DZNOQTCXQZNYER-GZMMTYOYSA-N 1 1 309.374 -1.144 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001398441772 924641839 /nfs/dbraw/zinc/64/18/39/924641839.db2.gz DQVZFKDRMJBUCK-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001398437740 924642387 /nfs/dbraw/zinc/64/23/87/924642387.db2.gz KPKHLTIFNWXXSC-PSASIEDQSA-N 1 1 309.374 -1.294 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001398437754 924642619 /nfs/dbraw/zinc/64/26/19/924642619.db2.gz KPKHLTIFNWXXSC-WPRPVWTQSA-N 1 1 309.374 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001398458028 924643455 /nfs/dbraw/zinc/64/34/55/924643455.db2.gz SJGKUNICGIEJTI-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001398538605 924646252 /nfs/dbraw/zinc/64/62/52/924646252.db2.gz YJMQZGZRGLJBJZ-IUCAKERBSA-N 1 1 310.362 -1.480 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001398530519 924646439 /nfs/dbraw/zinc/64/64/39/924646439.db2.gz AQNMLTNQJPGVGM-CIUDSAMLSA-N 1 1 310.362 -1.563 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001398537036 924646948 /nfs/dbraw/zinc/64/69/48/924646948.db2.gz VWAMSOJVXAVYJO-GUBZILKMSA-N 1 1 309.374 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398562179 924649237 /nfs/dbraw/zinc/64/92/37/924649237.db2.gz NYSQBRQMVYJUEH-SECBINFHSA-N 1 1 303.384 -1.690 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398557344 924650110 /nfs/dbraw/zinc/65/01/10/924650110.db2.gz LWEFDQYHAVZYNV-KYZUINATSA-N 1 1 316.387 -1.899 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001398603575 924655792 /nfs/dbraw/zinc/65/57/92/924655792.db2.gz IBHHWIWDZYZNDD-UHFFFAOYSA-N 1 1 308.342 -1.423 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001398621519 924657504 /nfs/dbraw/zinc/65/75/04/924657504.db2.gz JTRNAKMTUCZBIX-UHFFFAOYSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001398611428 924657582 /nfs/dbraw/zinc/65/75/82/924657582.db2.gz GSFWXRVEHMUYGS-DTORHVGOSA-N 1 1 301.372 -1.404 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001398689046 924662990 /nfs/dbraw/zinc/66/29/90/924662990.db2.gz LNCIWJWCWFKEMR-WDEREUQCSA-N 1 1 312.374 -1.341 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001398715664 924666583 /nfs/dbraw/zinc/66/65/83/924666583.db2.gz YNOGNEHYVUHFMY-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001398770358 924669985 /nfs/dbraw/zinc/66/99/85/924669985.db2.gz MVMLDRSIGZBJNN-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 ZINC001398796661 924672142 /nfs/dbraw/zinc/67/21/42/924672142.db2.gz PEYHUNKBLGFICS-FHUSYTEZSA-N 1 1 309.370 -1.107 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C)n1 ZINC001398837622 924675713 /nfs/dbraw/zinc/67/57/13/924675713.db2.gz RXDKHHBZNNRBOT-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911053 924676730 /nfs/dbraw/zinc/67/67/30/924676730.db2.gz HISAWCSHKVRZGE-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911053 924676738 /nfs/dbraw/zinc/67/67/38/924676738.db2.gz HISAWCSHKVRZGE-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCN1CCNC1=O ZINC001398896671 924677157 /nfs/dbraw/zinc/67/71/57/924677157.db2.gz WMVCJUUISRGOBN-JTQLQIEISA-N 1 1 309.374 -1.143 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911050 924677187 /nfs/dbraw/zinc/67/71/87/924677187.db2.gz HISAWCSHKVRZGE-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911050 924677193 /nfs/dbraw/zinc/67/71/93/924677193.db2.gz HISAWCSHKVRZGE-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001398921800 924678530 /nfs/dbraw/zinc/67/85/30/924678530.db2.gz YAUGRJDKFQABGV-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2nnnn2C)C1 ZINC001398938516 924679620 /nfs/dbraw/zinc/67/96/20/924679620.db2.gz OCYDLWQTOHCBQA-RKDXNWHRSA-N 1 1 309.374 -1.156 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001398933436 924679634 /nfs/dbraw/zinc/67/96/34/924679634.db2.gz WSVYBDDFKPKZJH-DTWKUNHWSA-N 1 1 324.341 -1.489 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001398950451 924681230 /nfs/dbraw/zinc/68/12/30/924681230.db2.gz JUCYZGGDBXHSTP-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1nnnn1C ZINC001399019536 924683882 /nfs/dbraw/zinc/68/38/82/924683882.db2.gz GVXWMHXTBUEVAB-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001398992348 924684109 /nfs/dbraw/zinc/68/41/09/924684109.db2.gz DETCEORFGGHQDS-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001398994587 924684228 /nfs/dbraw/zinc/68/42/28/924684228.db2.gz CKRWFIHLXKXCLF-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO COc1cc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)nn1C ZINC001399000934 924684276 /nfs/dbraw/zinc/68/42/76/924684276.db2.gz LWVJHBXSKWGPRF-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1nncn1C ZINC001399092467 924689980 /nfs/dbraw/zinc/68/99/80/924689980.db2.gz KJGAPVIPICIKFL-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC)nn1 ZINC001399125380 924691831 /nfs/dbraw/zinc/69/18/31/924691831.db2.gz YBNJXQVSLDFTHH-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399243776 924693316 /nfs/dbraw/zinc/69/33/16/924693316.db2.gz BBIAJFGCPJJVNR-MNOVXSKESA-N 1 1 309.374 -1.137 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001399298082 924695610 /nfs/dbraw/zinc/69/56/10/924695610.db2.gz ZFIBFDWTKIPKGG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399353170 924698333 /nfs/dbraw/zinc/69/83/33/924698333.db2.gz TYQKAEWDJCUCBT-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399334349 924698633 /nfs/dbraw/zinc/69/86/33/924698633.db2.gz FDLGCTUJAKFRJH-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399334347 924698768 /nfs/dbraw/zinc/69/87/68/924698768.db2.gz FDLGCTUJAKFRJH-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CCNC(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001399385747 924700045 /nfs/dbraw/zinc/70/00/45/924700045.db2.gz AVRPFJVRNMKVNW-UWVGGRQHSA-N 1 1 309.374 -1.137 20 0 DAADMO C[N@H+](CCNC(=O)C1(F)CCOCC1)CC(=O)NC(N)=O ZINC001399478963 924702964 /nfs/dbraw/zinc/70/29/64/924702964.db2.gz FYRIIMURPLUFFZ-UHFFFAOYSA-N 1 1 304.322 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)C1(F)CCOCC1)CC(=O)NC(N)=O ZINC001399478963 924702972 /nfs/dbraw/zinc/70/29/72/924702972.db2.gz FYRIIMURPLUFFZ-UHFFFAOYSA-N 1 1 304.322 -1.252 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001399479717 924703311 /nfs/dbraw/zinc/70/33/11/924703311.db2.gz BMIQEMDNONTRQQ-NSHDSACASA-N 1 1 310.358 -1.525 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001399479717 924703319 /nfs/dbraw/zinc/70/33/19/924703319.db2.gz BMIQEMDNONTRQQ-NSHDSACASA-N 1 1 310.358 -1.525 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cnn(C)c1)S(C)(=O)=O ZINC001399448064 924703979 /nfs/dbraw/zinc/70/39/79/924703979.db2.gz QCZOLNFNWITJNE-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cnn(C)c1)S(C)(=O)=O ZINC001399448064 924703985 /nfs/dbraw/zinc/70/39/85/924703985.db2.gz QCZOLNFNWITJNE-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)cnn1C ZINC001399437559 924704039 /nfs/dbraw/zinc/70/40/39/924704039.db2.gz SUJWOFUUIWAKNS-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)cnn1C ZINC001399437559 924704044 /nfs/dbraw/zinc/70/40/44/924704044.db2.gz SUJWOFUUIWAKNS-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001399437392 924704671 /nfs/dbraw/zinc/70/46/71/924704671.db2.gz UCKAIMCMXYBKQW-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001399437392 924704680 /nfs/dbraw/zinc/70/46/80/924704680.db2.gz UCKAIMCMXYBKQW-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)CCn2cccn2)c1=O ZINC001399515413 924705037 /nfs/dbraw/zinc/70/50/37/924705037.db2.gz JTSXQZPDNPKTQN-UHFFFAOYSA-N 1 1 307.358 -1.474 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001399490140 924705191 /nfs/dbraw/zinc/70/51/91/924705191.db2.gz ZGMXTQMUFYSBTK-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001399490140 924705199 /nfs/dbraw/zinc/70/51/99/924705199.db2.gz ZGMXTQMUFYSBTK-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399489059 924705393 /nfs/dbraw/zinc/70/53/93/924705393.db2.gz QYTGFCBKQJJABJ-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399489059 924705404 /nfs/dbraw/zinc/70/54/04/924705404.db2.gz QYTGFCBKQJJABJ-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001399481517 924705669 /nfs/dbraw/zinc/70/56/69/924705669.db2.gz JONGPRYUMWLQHO-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001399481517 924705678 /nfs/dbraw/zinc/70/56/78/924705678.db2.gz JONGPRYUMWLQHO-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399488998 924705846 /nfs/dbraw/zinc/70/58/46/924705846.db2.gz QYTGFCBKQJJABJ-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001399488998 924705852 /nfs/dbraw/zinc/70/58/52/924705852.db2.gz QYTGFCBKQJJABJ-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399491389 924706035 /nfs/dbraw/zinc/70/60/35/924706035.db2.gz ZCQVMSYYAPKMII-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399491389 924706044 /nfs/dbraw/zinc/70/60/44/924706044.db2.gz ZCQVMSYYAPKMII-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001399564335 924708265 /nfs/dbraw/zinc/70/82/65/924708265.db2.gz ANPVKTPROKGQRP-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001399564335 924708271 /nfs/dbraw/zinc/70/82/71/924708271.db2.gz ANPVKTPROKGQRP-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001399561205 924708284 /nfs/dbraw/zinc/70/82/84/924708284.db2.gz PRIWVXQSKNEHTH-GFCCVEGCSA-N 1 1 323.401 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001399545972 924708627 /nfs/dbraw/zinc/70/86/27/924708627.db2.gz WHGCDBQQAZOJCA-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001399545972 924708635 /nfs/dbraw/zinc/70/86/35/924708635.db2.gz WHGCDBQQAZOJCA-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001399530005 924709386 /nfs/dbraw/zinc/70/93/86/924709386.db2.gz MIPJYVSQTXPNKL-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001399530005 924709389 /nfs/dbraw/zinc/70/93/89/924709389.db2.gz MIPJYVSQTXPNKL-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001399539948 924709795 /nfs/dbraw/zinc/70/97/95/924709795.db2.gz ORTOXMKLAADQMI-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001399539948 924709805 /nfs/dbraw/zinc/70/98/05/924709805.db2.gz ORTOXMKLAADQMI-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO Cc1nn(C)cc1C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001399585784 924710764 /nfs/dbraw/zinc/71/07/64/924710764.db2.gz ZZDMIOMJQBGAPR-NSHDSACASA-N 1 1 322.369 -1.125 20 0 DAADMO Cc1nn(C)cc1C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001399585784 924710772 /nfs/dbraw/zinc/71/07/72/924710772.db2.gz ZZDMIOMJQBGAPR-NSHDSACASA-N 1 1 322.369 -1.125 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001399599113 924711141 /nfs/dbraw/zinc/71/11/41/924711141.db2.gz USBRXGIQYQVRFY-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001399599113 924711146 /nfs/dbraw/zinc/71/11/46/924711146.db2.gz USBRXGIQYQVRFY-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001399584754 924711278 /nfs/dbraw/zinc/71/12/78/924711278.db2.gz HMYLBSVWTTWVTH-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001399584754 924711293 /nfs/dbraw/zinc/71/12/93/924711293.db2.gz HMYLBSVWTTWVTH-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001399581662 924711464 /nfs/dbraw/zinc/71/14/64/924711464.db2.gz PFZMYNFLZFQGRE-QWRGUYRKSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001399581662 924711472 /nfs/dbraw/zinc/71/14/72/924711472.db2.gz PFZMYNFLZFQGRE-QWRGUYRKSA-N 1 1 323.401 -1.063 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399570311 924711674 /nfs/dbraw/zinc/71/16/74/924711674.db2.gz LWLNBHHDXAHZBB-QMMMGPOBSA-N 1 1 314.346 -2.439 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399570311 924711676 /nfs/dbraw/zinc/71/16/76/924711676.db2.gz LWLNBHHDXAHZBB-QMMMGPOBSA-N 1 1 314.346 -2.439 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399577872 924711796 /nfs/dbraw/zinc/71/17/96/924711796.db2.gz VAYPHMPZJJKCEL-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399577872 924711800 /nfs/dbraw/zinc/71/18/00/924711800.db2.gz VAYPHMPZJJKCEL-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)C[C@H](O)CN2CCCC2=O)n1 ZINC001399594808 924711868 /nfs/dbraw/zinc/71/18/68/924711868.db2.gz JXOHXSVRJOEQNX-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001399591278 924711978 /nfs/dbraw/zinc/71/19/78/924711978.db2.gz NKCXNTPGMZTAQM-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001399591278 924711986 /nfs/dbraw/zinc/71/19/86/924711986.db2.gz NKCXNTPGMZTAQM-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[N@@H+](CCCN1CCCC1=O)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001399572867 924712181 /nfs/dbraw/zinc/71/21/81/924712181.db2.gz RJYGGOYSKOSNBY-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CO[C@H](C)C[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001399651582 924713672 /nfs/dbraw/zinc/71/36/72/924713672.db2.gz FNLXLNGIADNRIE-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001399651582 924713679 /nfs/dbraw/zinc/71/36/79/924713679.db2.gz FNLXLNGIADNRIE-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)C[C@@H](C)O ZINC001399638955 924714153 /nfs/dbraw/zinc/71/41/53/924714153.db2.gz IFXJRNINGPKRLQ-SSDOTTSWSA-N 1 1 300.315 -1.061 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001399673361 924715081 /nfs/dbraw/zinc/71/50/81/924715081.db2.gz PYSYVSWALVMFKK-SNVBAGLBSA-N 1 1 310.358 -1.334 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001399673361 924715088 /nfs/dbraw/zinc/71/50/88/924715088.db2.gz PYSYVSWALVMFKK-SNVBAGLBSA-N 1 1 310.358 -1.334 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001399666125 924715954 /nfs/dbraw/zinc/71/59/54/924715954.db2.gz LTWFJCGVEMBSGR-LLVKDONJSA-N 1 1 319.427 -1.101 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1COC(=O)N1 ZINC001399686526 924717084 /nfs/dbraw/zinc/71/70/84/924717084.db2.gz ICQHNLIEIIXXJW-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@@H]1CCNC1=O ZINC001399705991 924717238 /nfs/dbraw/zinc/71/72/38/924717238.db2.gz JAAQPYBEFAMBDQ-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CC[N@H+](CCNC(=O)CCc1ccnn1C)CC(=O)NC(N)=O ZINC001399713012 924718145 /nfs/dbraw/zinc/71/81/45/924718145.db2.gz NSGIRJWDURUPNW-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)CCc1ccnn1C)CC(=O)NC(N)=O ZINC001399713012 924718153 /nfs/dbraw/zinc/71/81/53/924718153.db2.gz NSGIRJWDURUPNW-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)nc1C)CC(=O)NC(N)=O ZINC001399691260 924718717 /nfs/dbraw/zinc/71/87/17/924718717.db2.gz OVTSSIQUJNKDGL-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)nc1C)CC(=O)NC(N)=O ZINC001399691260 924718722 /nfs/dbraw/zinc/71/87/22/924718722.db2.gz OVTSSIQUJNKDGL-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399718057 924719262 /nfs/dbraw/zinc/71/92/62/924719262.db2.gz ZTFBTSXXMBTHMK-QWRGUYRKSA-N 1 1 311.386 -1.464 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001399718069 924720177 /nfs/dbraw/zinc/72/01/77/924720177.db2.gz ZTFBTSXXMBTHMK-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001399757638 924722482 /nfs/dbraw/zinc/72/24/82/924722482.db2.gz UZDQLVLMGZLDBX-UWVGGRQHSA-N 1 1 323.340 -1.046 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001399777405 924726765 /nfs/dbraw/zinc/72/67/65/924726765.db2.gz WUMZYEDEVXCXPB-NSHDSACASA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399783101 924728378 /nfs/dbraw/zinc/72/83/78/924728378.db2.gz MHPTTZQJUCAOID-NWDGAFQWSA-N 1 1 309.370 -1.572 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001399801381 924733544 /nfs/dbraw/zinc/73/35/44/924733544.db2.gz MKYHBTCLYYJYKK-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO CC[N@H+](CCNC(=O)CCNC(N)=O)[C@H](C)C(=O)N(C)C ZINC001399801702 924733847 /nfs/dbraw/zinc/73/38/47/924733847.db2.gz BQFMAFDTOOIWJW-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(N)=O)[C@H](C)C(=O)N(C)C ZINC001399801702 924733852 /nfs/dbraw/zinc/73/38/52/924733852.db2.gz BQFMAFDTOOIWJW-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001399801374 924733902 /nfs/dbraw/zinc/73/39/02/924733902.db2.gz MKYHBTCLYYJYKK-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001399807341 924734923 /nfs/dbraw/zinc/73/49/23/924734923.db2.gz SKHQIHQTWHTJDA-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001399807127 924735442 /nfs/dbraw/zinc/73/54/42/924735442.db2.gz UMGWDKLDAMFAGI-CMPLNLGQSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnsn2)C1 ZINC001399805918 924735502 /nfs/dbraw/zinc/73/55/02/924735502.db2.gz VAHHZSNYBUEOBL-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399814666 924737604 /nfs/dbraw/zinc/73/76/04/924737604.db2.gz VORZBJLYWWWRIG-MNOVXSKESA-N 1 1 314.386 -1.942 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001399817525 924737786 /nfs/dbraw/zinc/73/77/86/924737786.db2.gz BIWFRWDIYOFYKZ-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001399814528 924737866 /nfs/dbraw/zinc/73/78/66/924737866.db2.gz VCNOCCURVXYFIJ-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H]1CCCNC1=O ZINC001399814557 924738148 /nfs/dbraw/zinc/73/81/48/924738148.db2.gz DOBGOXWPKHADTH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001399817321 924738277 /nfs/dbraw/zinc/73/82/77/924738277.db2.gz YPZLHYRNRNFJKA-PWSUYJOCSA-N 1 1 324.385 -1.401 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2cc[nH]n2)CC[N@H+]1C ZINC001399825537 924739964 /nfs/dbraw/zinc/73/99/64/924739964.db2.gz AWSIFEPGVBYQCE-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)Cc1ccnn1C ZINC001399823928 924740209 /nfs/dbraw/zinc/74/02/09/924740209.db2.gz VCUZQBOSCVQPRZ-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)Cc1ccnn1C ZINC001399823928 924740212 /nfs/dbraw/zinc/74/02/12/924740212.db2.gz VCUZQBOSCVQPRZ-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399823781 924740755 /nfs/dbraw/zinc/74/07/55/924740755.db2.gz ABNORMJFSSZVCO-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCNC(N)=O)C1 ZINC001399838474 924741545 /nfs/dbraw/zinc/74/15/45/924741545.db2.gz VIZHLINXWSIMFZ-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCNC(N)=O)C1 ZINC001399838483 924741598 /nfs/dbraw/zinc/74/15/98/924741598.db2.gz VIZHLINXWSIMFZ-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001399836549 924742326 /nfs/dbraw/zinc/74/23/26/924742326.db2.gz SDEUFOUHTQOYQF-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001399836549 924742332 /nfs/dbraw/zinc/74/23/32/924742332.db2.gz SDEUFOUHTQOYQF-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001399845065 924743391 /nfs/dbraw/zinc/74/33/91/924743391.db2.gz DWSOLQJMYBFAHZ-NEPJUHHUSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCCF)C1 ZINC001399846587 924744510 /nfs/dbraw/zinc/74/45/10/924744510.db2.gz VAGWWPFSWLJZTO-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCCF)C1 ZINC001399846587 924744520 /nfs/dbraw/zinc/74/45/20/924744520.db2.gz VAGWWPFSWLJZTO-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001399850664 924745232 /nfs/dbraw/zinc/74/52/32/924745232.db2.gz XEQZWDZFLNGIPN-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001399849208 924745249 /nfs/dbraw/zinc/74/52/49/924745249.db2.gz KEMWWHQHSDNJHV-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001399847836 924745405 /nfs/dbraw/zinc/74/54/05/924745405.db2.gz GSTTXSDSPFSQGI-CYBMUJFWSA-N 1 1 324.381 -1.056 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn(C)nn2)C1 ZINC001399850743 924745543 /nfs/dbraw/zinc/74/55/43/924745543.db2.gz BVYKZFOEADNBOK-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001399854568 924746102 /nfs/dbraw/zinc/74/61/02/924746102.db2.gz OILRKJWVBMXGHX-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399853883 924746355 /nfs/dbraw/zinc/74/63/55/924746355.db2.gz NNBDQCSGLBOXDF-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001399855260 924746426 /nfs/dbraw/zinc/74/64/26/924746426.db2.gz JNWKJWIZZSWNLF-VIFPVBQESA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001399855260 924746435 /nfs/dbraw/zinc/74/64/35/924746435.db2.gz JNWKJWIZZSWNLF-VIFPVBQESA-N 1 1 324.345 -2.291 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001399852065 924746780 /nfs/dbraw/zinc/74/67/80/924746780.db2.gz MOZQUPNIXGNOQP-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001399851083 924747209 /nfs/dbraw/zinc/74/72/09/924747209.db2.gz DTHDMCQZVQEKQJ-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001399861768 924748532 /nfs/dbraw/zinc/74/85/32/924748532.db2.gz JGCVDNMFOLOETP-SECBINFHSA-N 1 1 309.326 -1.985 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001399861768 924748539 /nfs/dbraw/zinc/74/85/39/924748539.db2.gz JGCVDNMFOLOETP-SECBINFHSA-N 1 1 309.326 -1.985 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001399859234 924748569 /nfs/dbraw/zinc/74/85/69/924748569.db2.gz TWCBTMHIOPVHSU-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001399865541 924748606 /nfs/dbraw/zinc/74/86/06/924748606.db2.gz RIYHMWCNJCZFIE-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001399865541 924748608 /nfs/dbraw/zinc/74/86/08/924748608.db2.gz RIYHMWCNJCZFIE-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](C)O ZINC001399863979 924748632 /nfs/dbraw/zinc/74/86/32/924748632.db2.gz MIGAKTKCHCLKRX-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001399859219 924748664 /nfs/dbraw/zinc/74/86/64/924748664.db2.gz TWCBTMHIOPVHSU-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001399861769 924748853 /nfs/dbraw/zinc/74/88/53/924748853.db2.gz JGCVDNMFOLOETP-VIFPVBQESA-N 1 1 309.326 -1.985 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001399861769 924748860 /nfs/dbraw/zinc/74/88/60/924748860.db2.gz JGCVDNMFOLOETP-VIFPVBQESA-N 1 1 309.326 -1.985 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC001399861556 924749041 /nfs/dbraw/zinc/74/90/41/924749041.db2.gz CCWWKMCSASSNQJ-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399868000 924749617 /nfs/dbraw/zinc/74/96/17/924749617.db2.gz UWFFAVLEQNMBID-MXWKQRLJSA-N 1 1 314.386 -1.959 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001399868382 924750286 /nfs/dbraw/zinc/75/02/86/924750286.db2.gz KODVUEKGSJLTEL-MNOVXSKESA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001399868382 924750294 /nfs/dbraw/zinc/75/02/94/924750294.db2.gz KODVUEKGSJLTEL-MNOVXSKESA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870114 924750589 /nfs/dbraw/zinc/75/05/89/924750589.db2.gz IGEIENRETOUCDX-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870114 924750591 /nfs/dbraw/zinc/75/05/91/924750591.db2.gz IGEIENRETOUCDX-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1cnn[nH]1 ZINC001399868695 924750607 /nfs/dbraw/zinc/75/06/07/924750607.db2.gz YUWZCUQMHXYCMA-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001399872124 924750688 /nfs/dbraw/zinc/75/06/88/924750688.db2.gz RTHKRXRSMBREMZ-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001399882744 924752157 /nfs/dbraw/zinc/75/21/57/924752157.db2.gz QCYPZRZGMPRCLE-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001399889221 924753325 /nfs/dbraw/zinc/75/33/25/924753325.db2.gz FDUKHNQOGKPDCX-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892893 924753719 /nfs/dbraw/zinc/75/37/19/924753719.db2.gz ILHXGWVAAMAVGE-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892893 924753723 /nfs/dbraw/zinc/75/37/23/924753723.db2.gz ILHXGWVAAMAVGE-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001399887685 924754068 /nfs/dbraw/zinc/75/40/68/924754068.db2.gz VMVLDBNBYBMZCT-NSHDSACASA-N 1 1 321.341 -1.923 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399887338 924754539 /nfs/dbraw/zinc/75/45/39/924754539.db2.gz VALYNRADBWIPLC-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399884762 924754610 /nfs/dbraw/zinc/75/46/10/924754610.db2.gz VQIXGDSDMYRLJS-CIQGVGRVSA-N 1 1 313.398 -1.186 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001399896593 924755622 /nfs/dbraw/zinc/75/56/22/924755622.db2.gz LVHMODUSMHWAHI-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001399897045 924755765 /nfs/dbraw/zinc/75/57/65/924755765.db2.gz LXVNWHWJMLPQAE-JTQLQIEISA-N 1 1 321.399 -1.175 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001399897045 924755771 /nfs/dbraw/zinc/75/57/71/924755771.db2.gz LXVNWHWJMLPQAE-JTQLQIEISA-N 1 1 321.399 -1.175 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001399902642 924755895 /nfs/dbraw/zinc/75/58/95/924755895.db2.gz JYDRXPMPTAXZSN-QWHCGFSZSA-N 1 1 310.398 -1.355 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001399897876 924756180 /nfs/dbraw/zinc/75/61/80/924756180.db2.gz SUECSUWWAOJLTK-SECBINFHSA-N 1 1 309.330 -1.946 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001399897876 924756188 /nfs/dbraw/zinc/75/61/88/924756188.db2.gz SUECSUWWAOJLTK-SECBINFHSA-N 1 1 309.330 -1.946 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001399905877 924756622 /nfs/dbraw/zinc/75/66/22/924756622.db2.gz SIUXCZDTPIIAPZ-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001399896588 924756705 /nfs/dbraw/zinc/75/67/05/924756705.db2.gz LVHMODUSMHWAHI-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001399952425 924759170 /nfs/dbraw/zinc/75/91/70/924759170.db2.gz WMEJNAUDBHWOMG-GFCCVEGCSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NCC1CC1 ZINC001399932043 924759289 /nfs/dbraw/zinc/75/92/89/924759289.db2.gz QIDGGBFSTFBGSC-RYUDHWBXSA-N 1 1 323.397 -1.368 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001399931200 924759883 /nfs/dbraw/zinc/75/98/83/924759883.db2.gz PNHMUAMUOHYRBK-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO C[C@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)NC(=O)Cn1ncnn1 ZINC001399975167 924761307 /nfs/dbraw/zinc/76/13/07/924761307.db2.gz UVNAIRNFMNJNJI-RISCZKNCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400005690 924762856 /nfs/dbraw/zinc/76/28/56/924762856.db2.gz MVUCWXRWOYABMO-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400005690 924762861 /nfs/dbraw/zinc/76/28/61/924762861.db2.gz MVUCWXRWOYABMO-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CC(N)=O ZINC001399981934 924763361 /nfs/dbraw/zinc/76/33/61/924763361.db2.gz VCIDBPIPPRDVKQ-UHFFFAOYSA-N 1 1 311.342 -1.587 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CC(N)=O ZINC001399981934 924763367 /nfs/dbraw/zinc/76/33/67/924763367.db2.gz VCIDBPIPPRDVKQ-UHFFFAOYSA-N 1 1 311.342 -1.587 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(N)=O ZINC001399983973 924763576 /nfs/dbraw/zinc/76/35/76/924763576.db2.gz YCHXVHNNANFWHI-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(N)=O ZINC001399983973 924763581 /nfs/dbraw/zinc/76/35/81/924763581.db2.gz YCHXVHNNANFWHI-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CS(=O)(=O)NCC[N@H+](CCNC(=O)c1cnon1)C1CC1 ZINC001400034938 924765397 /nfs/dbraw/zinc/76/53/97/924765397.db2.gz CKQXTUXCHBSRCG-UHFFFAOYSA-N 1 1 317.371 -1.187 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](CCNC(=O)c1cnon1)C1CC1 ZINC001400034938 924765401 /nfs/dbraw/zinc/76/54/01/924765401.db2.gz CKQXTUXCHBSRCG-UHFFFAOYSA-N 1 1 317.371 -1.187 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001400020391 924765619 /nfs/dbraw/zinc/76/56/19/924765619.db2.gz IHMGMJOCEBCPIL-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001400007760 924765659 /nfs/dbraw/zinc/76/56/59/924765659.db2.gz RLLGPKXEQHVBFZ-GFCCVEGCSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnon1)C1CC1 ZINC001400036534 924768030 /nfs/dbraw/zinc/76/80/30/924768030.db2.gz KVGJANBZEDSOCE-UHFFFAOYSA-N 1 1 310.314 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnon1)C1CC1 ZINC001400036534 924768037 /nfs/dbraw/zinc/76/80/37/924768037.db2.gz KVGJANBZEDSOCE-UHFFFAOYSA-N 1 1 310.314 -1.281 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001400102397 924771156 /nfs/dbraw/zinc/77/11/56/924771156.db2.gz QIBQMBKAUSETDR-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001400106523 924771964 /nfs/dbraw/zinc/77/19/64/924771964.db2.gz WDJNFZVXXGXWBV-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C)C1=O ZINC001400102407 924772674 /nfs/dbraw/zinc/77/26/74/924772674.db2.gz QIBQMBKAUSETDR-TUAOUCFPSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)C(N)=O ZINC001400105630 924772779 /nfs/dbraw/zinc/77/27/79/924772779.db2.gz RPZWHNXXBHXJAI-TUAOUCFPSA-N 1 1 312.370 -1.966 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001400136456 924773364 /nfs/dbraw/zinc/77/33/64/924773364.db2.gz GIARVHOAHNLXQQ-NSHDSACASA-N 1 1 324.385 -1.427 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)n1 ZINC001400149534 924774176 /nfs/dbraw/zinc/77/41/76/924774176.db2.gz BEXZIMBZXZMMSX-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)n1 ZINC001400149534 924774181 /nfs/dbraw/zinc/77/41/81/924774181.db2.gz BEXZIMBZXZMMSX-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400147035 924774197 /nfs/dbraw/zinc/77/41/97/924774197.db2.gz NCOZGUKMVRIEKK-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)Cn3cnnn3)C2)n1 ZINC001400147278 924774222 /nfs/dbraw/zinc/77/42/22/924774222.db2.gz NQBWHIRHTZGPNL-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@@H](CCNC(=O)Cn3cnnn3)C2)n1 ZINC001400147278 924774229 /nfs/dbraw/zinc/77/42/29/924774229.db2.gz NQBWHIRHTZGPNL-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400179857 924776064 /nfs/dbraw/zinc/77/60/64/924776064.db2.gz WHAWAJHGJOTGSR-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001400164588 924776371 /nfs/dbraw/zinc/77/63/71/924776371.db2.gz XDHPBYCLAVPLHD-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400192154 924776917 /nfs/dbraw/zinc/77/69/17/924776917.db2.gz DTSVDBKOSPZUNN-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CS(=O)(=O)NC)C1 ZINC001400194671 924777448 /nfs/dbraw/zinc/77/74/48/924777448.db2.gz GSXJWWPYTJHKPV-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001400220458 924778727 /nfs/dbraw/zinc/77/87/27/924778727.db2.gz PKIDJBJKFMLVAQ-STQMWFEESA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001400211798 924778959 /nfs/dbraw/zinc/77/89/59/924778959.db2.gz DFNQBWICRYJQQH-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001400212817 924779625 /nfs/dbraw/zinc/77/96/25/924779625.db2.gz FYNJPKDEICEWDS-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212783 924780085 /nfs/dbraw/zinc/78/00/85/924780085.db2.gz FXSZQJKOPQOOKH-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001400219770 924780175 /nfs/dbraw/zinc/78/01/75/924780175.db2.gz KIDIPHOSCVDANB-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001400219770 924780181 /nfs/dbraw/zinc/78/01/81/924780181.db2.gz KIDIPHOSCVDANB-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCCO)C1 ZINC001400237324 924780886 /nfs/dbraw/zinc/78/08/86/924780886.db2.gz WOUHCFWGNNJDDA-NSHDSACASA-N 1 1 322.431 -1.797 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001400229192 924781108 /nfs/dbraw/zinc/78/11/08/924781108.db2.gz LOONPUNFWOTELL-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400250938 924781145 /nfs/dbraw/zinc/78/11/45/924781145.db2.gz KJNLIMKEOQCNQW-NSHDSACASA-N 1 1 324.385 -1.460 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001400228720 924781231 /nfs/dbraw/zinc/78/12/31/924781231.db2.gz JEZPSKDMTWTKMV-VIFPVBQESA-N 1 1 323.353 -1.635 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400236811 924781280 /nfs/dbraw/zinc/78/12/80/924781280.db2.gz KPORBQAMWJILMM-WDEREUQCSA-N 1 1 324.385 -1.764 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400231715 924781316 /nfs/dbraw/zinc/78/13/16/924781316.db2.gz AZWCQWLQQMUYNJ-NEPJUHHUSA-N 1 1 311.386 -1.257 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](C)O)C1 ZINC001400245284 924781333 /nfs/dbraw/zinc/78/13/33/924781333.db2.gz GQHFFZUKGWFCBM-QWRGUYRKSA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001400256646 924783190 /nfs/dbraw/zinc/78/31/90/924783190.db2.gz IBJFWHPVSLBBGY-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001400256646 924783193 /nfs/dbraw/zinc/78/31/93/924783193.db2.gz IBJFWHPVSLBBGY-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001400292439 924784772 /nfs/dbraw/zinc/78/47/72/924784772.db2.gz FTHAKIVMHPUFQC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001400292439 924784782 /nfs/dbraw/zinc/78/47/82/924784782.db2.gz FTHAKIVMHPUFQC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)N(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400347757 924788760 /nfs/dbraw/zinc/78/87/60/924788760.db2.gz XXGRFMGTNFQUCR-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)N(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400347757 924788768 /nfs/dbraw/zinc/78/87/68/924788768.db2.gz XXGRFMGTNFQUCR-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO CN(CC1CC1)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001400338133 924788808 /nfs/dbraw/zinc/78/88/08/924788808.db2.gz KADHZZLEBFWVCK-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(CC1CC1)C(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001400338133 924788817 /nfs/dbraw/zinc/78/88/17/924788817.db2.gz KADHZZLEBFWVCK-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(C)N(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001400347758 924788849 /nfs/dbraw/zinc/78/88/49/924788849.db2.gz XXGRFMGTNFQUCR-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)N(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001400347758 924788855 /nfs/dbraw/zinc/78/88/55/924788855.db2.gz XXGRFMGTNFQUCR-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CC[C@H](C)F)C1)C(N)=O ZINC001400391972 924794581 /nfs/dbraw/zinc/79/45/81/924794581.db2.gz BXLYEGXFMFZVMB-KWQFWETISA-N 1 1 302.350 -1.085 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001400411970 924796790 /nfs/dbraw/zinc/79/67/90/924796790.db2.gz IAADKAGSEHSSBC-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001400410365 924797038 /nfs/dbraw/zinc/79/70/38/924797038.db2.gz HEBVIXZVSVJZBF-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CS(=O)(=O)CCN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001400415358 924797529 /nfs/dbraw/zinc/79/75/29/924797529.db2.gz QEQRQBDLRMRQGV-UHFFFAOYSA-N 1 1 319.427 -1.446 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001400411951 924797698 /nfs/dbraw/zinc/79/76/98/924797698.db2.gz IAADKAGSEHSSBC-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001400428223 924798726 /nfs/dbraw/zinc/79/87/26/924798726.db2.gz QAQQYCVTHIVJRJ-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001400443818 924800306 /nfs/dbraw/zinc/80/03/06/924800306.db2.gz MAPCJPALJRBQMR-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001400455311 924800427 /nfs/dbraw/zinc/80/04/27/924800427.db2.gz QXKSEFRHXOWREB-UHFFFAOYSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001400466032 924802657 /nfs/dbraw/zinc/80/26/57/924802657.db2.gz GPRBQIROSLEKHG-SNVBAGLBSA-N 1 1 320.415 -1.762 20 0 DAADMO CCCC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001400479586 924803178 /nfs/dbraw/zinc/80/31/78/924803178.db2.gz CTECBBMSXYUAOU-NSHDSACASA-N 1 1 309.374 -1.235 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001400479337 924803648 /nfs/dbraw/zinc/80/36/48/924803648.db2.gz HYEHUTFUJLXFRS-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001400473714 924804047 /nfs/dbraw/zinc/80/40/47/924804047.db2.gz BFHHJAOGEUTTJM-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001400514728 924807545 /nfs/dbraw/zinc/80/75/45/924807545.db2.gz RKDYFKIBUKJSOA-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001400530378 924809185 /nfs/dbraw/zinc/80/91/85/924809185.db2.gz LADKZWMGGQZWJQ-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO CC[C@H](F)C[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001400529509 924809427 /nfs/dbraw/zinc/80/94/27/924809427.db2.gz STGAVWGIBGROHA-JTQLQIEISA-N 1 1 310.395 -1.164 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001400523980 924809572 /nfs/dbraw/zinc/80/95/72/924809572.db2.gz JTIRFNKBPUOLHK-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001400540973 924810634 /nfs/dbraw/zinc/81/06/34/924810634.db2.gz HFTYBRIOKJJECK-ZJUUUORDSA-N 1 1 309.370 -1.473 20 0 DAADMO Cn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001400556234 924810742 /nfs/dbraw/zinc/81/07/42/924810742.db2.gz WQMTYVFDUVISAO-NSHDSACASA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001400556234 924810750 /nfs/dbraw/zinc/81/07/50/924810750.db2.gz WQMTYVFDUVISAO-NSHDSACASA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001400556233 924810956 /nfs/dbraw/zinc/81/09/56/924810956.db2.gz WQMTYVFDUVISAO-LLVKDONJSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001400556233 924810964 /nfs/dbraw/zinc/81/09/64/924810964.db2.gz WQMTYVFDUVISAO-LLVKDONJSA-N 1 1 322.369 -1.476 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001400540970 924811169 /nfs/dbraw/zinc/81/11/69/924811169.db2.gz HFTYBRIOKJJECK-UWVGGRQHSA-N 1 1 309.370 -1.473 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)S(C)(=O)=O ZINC001400569700 924812685 /nfs/dbraw/zinc/81/26/85/924812685.db2.gz PVNQAUWSJRCQHQ-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO COCCC(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001400564448 924812762 /nfs/dbraw/zinc/81/27/62/924812762.db2.gz SNACXCZLFJYMBX-UHFFFAOYSA-N 1 1 307.416 -1.038 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n(C)cn1 ZINC001400575247 924813827 /nfs/dbraw/zinc/81/38/27/924813827.db2.gz DTWCPOSNUIHZGV-SRVKXCTJSA-N 1 1 322.365 -1.314 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001400602970 924815766 /nfs/dbraw/zinc/81/57/66/924815766.db2.gz DMWCZDGWWYOWLC-UWVGGRQHSA-N 1 1 312.374 -1.741 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001400591801 924815883 /nfs/dbraw/zinc/81/58/83/924815883.db2.gz MNKAQMSFXXGPNC-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001400592493 924816370 /nfs/dbraw/zinc/81/63/70/924816370.db2.gz OFVCAONSIGANST-SDDRHHMPSA-N 1 1 324.381 -1.370 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400584753 924816655 /nfs/dbraw/zinc/81/66/55/924816655.db2.gz XGEKLBCLMXFWIL-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623526 924818114 /nfs/dbraw/zinc/81/81/14/924818114.db2.gz NJGYEDYXKDJHDA-IUCAKERBSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623526 924818109 /nfs/dbraw/zinc/81/81/09/924818109.db2.gz NJGYEDYXKDJHDA-IUCAKERBSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001400630670 924818392 /nfs/dbraw/zinc/81/83/92/924818392.db2.gz PKTDRQSHZSEACL-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001400630670 924818398 /nfs/dbraw/zinc/81/83/98/924818398.db2.gz PKTDRQSHZSEACL-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001400625069 924819061 /nfs/dbraw/zinc/81/90/61/924819061.db2.gz QQXORKMCQOXGMQ-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001400625069 924819066 /nfs/dbraw/zinc/81/90/66/924819066.db2.gz QQXORKMCQOXGMQ-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001400654321 924821446 /nfs/dbraw/zinc/82/14/46/924821446.db2.gz RLHNLQSVCUDTFX-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001400654321 924821455 /nfs/dbraw/zinc/82/14/55/924821455.db2.gz RLHNLQSVCUDTFX-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400661937 924822388 /nfs/dbraw/zinc/82/23/88/924822388.db2.gz IBZPWKIKMWTGQP-OGBGREFGSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400661937 924822391 /nfs/dbraw/zinc/82/23/91/924822391.db2.gz IBZPWKIKMWTGQP-OGBGREFGSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001400668810 924822555 /nfs/dbraw/zinc/82/25/55/924822555.db2.gz BQMHXQHUGVJRKW-AXFHLTTASA-N 1 1 312.370 -1.064 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001400661597 924822811 /nfs/dbraw/zinc/82/28/11/924822811.db2.gz QRELPPZJRMSDJE-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001400675280 924823505 /nfs/dbraw/zinc/82/35/05/924823505.db2.gz AYYWWVUJCYDDRS-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001400675280 924823511 /nfs/dbraw/zinc/82/35/11/924823511.db2.gz AYYWWVUJCYDDRS-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001400700586 924824102 /nfs/dbraw/zinc/82/41/02/924824102.db2.gz SJQWBOSLRGJIPO-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001400700586 924824104 /nfs/dbraw/zinc/82/41/04/924824104.db2.gz SJQWBOSLRGJIPO-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001400722761 924825839 /nfs/dbraw/zinc/82/58/39/924825839.db2.gz XZPPCUSRJHVWPG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001400715498 924826111 /nfs/dbraw/zinc/82/61/11/924826111.db2.gz AJTFUHHYNRWYDE-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001400715498 924826120 /nfs/dbraw/zinc/82/61/20/924826120.db2.gz AJTFUHHYNRWYDE-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001400706511 924826795 /nfs/dbraw/zinc/82/67/95/924826795.db2.gz VZPDRHVIQJHCSP-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001400716344 924826958 /nfs/dbraw/zinc/82/69/58/924826958.db2.gz QBBVBUDJFBHESA-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001400716344 924826967 /nfs/dbraw/zinc/82/69/67/924826967.db2.gz QBBVBUDJFBHESA-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001400715505 924827022 /nfs/dbraw/zinc/82/70/22/924827022.db2.gz AJTFUHHYNRWYDE-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001400715505 924827030 /nfs/dbraw/zinc/82/70/30/924827030.db2.gz AJTFUHHYNRWYDE-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001400706506 924827174 /nfs/dbraw/zinc/82/71/74/924827174.db2.gz VZPDRHVIQJHCSP-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001400742035 924828496 /nfs/dbraw/zinc/82/84/96/924828496.db2.gz RWFYDEVCEOQKMD-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001400739687 924828752 /nfs/dbraw/zinc/82/87/52/924828752.db2.gz OOMWSQIZFMHDQN-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001400746831 924828852 /nfs/dbraw/zinc/82/88/52/924828852.db2.gz VQRFQBXIFDSJFC-WDEREUQCSA-N 1 1 312.374 -1.246 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001400756077 924830145 /nfs/dbraw/zinc/83/01/45/924830145.db2.gz ZMPSXJKDGSWFIH-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001400756119 924830309 /nfs/dbraw/zinc/83/03/09/924830309.db2.gz ZMPSXJKDGSWFIH-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400782151 924831898 /nfs/dbraw/zinc/83/18/98/924831898.db2.gz ZFGVGODUVNTCFF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400782151 924831907 /nfs/dbraw/zinc/83/19/07/924831907.db2.gz ZFGVGODUVNTCFF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CCNC(N)=O)C1 ZINC001400776076 924832779 /nfs/dbraw/zinc/83/27/79/924832779.db2.gz OEBJRCQKTYWQBU-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001400789116 924832987 /nfs/dbraw/zinc/83/29/87/924832987.db2.gz WVOUEJVBDGKSOY-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001400853672 924833716 /nfs/dbraw/zinc/83/37/16/924833716.db2.gz VSQNQIKWYJZGDM-SNVBAGLBSA-N 1 1 324.389 -2.374 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001400907078 924836653 /nfs/dbraw/zinc/83/66/53/924836653.db2.gz BWDDDOAIVGKZFZ-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001400876025 924836752 /nfs/dbraw/zinc/83/67/52/924836752.db2.gz YNOJGMKJWKPNJR-CBAPKCEASA-N 1 1 310.314 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001401000001 924838395 /nfs/dbraw/zinc/83/83/95/924838395.db2.gz ADSIBPCZHSZQLI-RNCFNFMXSA-N 1 1 322.373 -1.734 20 0 DAADMO Cn1ncc(C[NH2+]C[C@](C)(NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001400976037 924838692 /nfs/dbraw/zinc/83/86/92/924838692.db2.gz CUYKFOPAQFUBKN-ZDUSSCGKSA-N 1 1 319.373 -1.124 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001401082325 924840593 /nfs/dbraw/zinc/84/05/93/924840593.db2.gz SWVLZVRSQQXBRC-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001401070883 924840791 /nfs/dbraw/zinc/84/07/91/924840791.db2.gz QPRKNKXXSXSKHZ-AWEZNQCLSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001401115324 924842476 /nfs/dbraw/zinc/84/24/76/924842476.db2.gz BQYRBKMRSQHTBA-NXEZZACHSA-N 1 1 309.374 -1.470 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001401115329 924842793 /nfs/dbraw/zinc/84/27/93/924842793.db2.gz BQYRBKMRSQHTBA-VHSXEESVSA-N 1 1 309.374 -1.470 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)CCNC(N)=O)CC2 ZINC001401090544 924843033 /nfs/dbraw/zinc/84/30/33/924843033.db2.gz SOGVIYYJYSALFS-UHFFFAOYSA-N 1 1 311.386 -1.155 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001401115331 924843052 /nfs/dbraw/zinc/84/30/52/924843052.db2.gz BQYRBKMRSQHTBA-ZJUUUORDSA-N 1 1 309.374 -1.470 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156484 924845107 /nfs/dbraw/zinc/84/51/07/924845107.db2.gz BBWRIGGORFKATQ-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156484 924845116 /nfs/dbraw/zinc/84/51/16/924845116.db2.gz BBWRIGGORFKATQ-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001401162249 924847172 /nfs/dbraw/zinc/84/71/72/924847172.db2.gz NBUVIJMDTBKHLV-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001401162249 924847178 /nfs/dbraw/zinc/84/71/78/924847178.db2.gz NBUVIJMDTBKHLV-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170248 924847211 /nfs/dbraw/zinc/84/72/11/924847211.db2.gz KTGXQQINZDPKJT-MNOVXSKESA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170248 924847216 /nfs/dbraw/zinc/84/72/16/924847216.db2.gz KTGXQQINZDPKJT-MNOVXSKESA-N 1 1 302.375 -1.103 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CN(CCO)CCO1 ZINC001401169122 924847684 /nfs/dbraw/zinc/84/76/84/924847684.db2.gz NHYUJIKKCAVLRS-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173238 924849761 /nfs/dbraw/zinc/84/97/61/924849761.db2.gz XCIPDXHSRBUSHO-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173238 924849770 /nfs/dbraw/zinc/84/97/70/924849770.db2.gz XCIPDXHSRBUSHO-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001401244400 924853066 /nfs/dbraw/zinc/85/30/66/924853066.db2.gz WPBPUZKTEATCEX-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401243421 924853431 /nfs/dbraw/zinc/85/34/31/924853431.db2.gz GBILIXJCQAKUHF-OUAUKWLOSA-N 1 1 324.385 -1.216 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001401342357 924855423 /nfs/dbraw/zinc/85/54/23/924855423.db2.gz XEUFQNGEEXLKJC-MNOVXSKESA-N 1 1 309.374 -1.273 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001401356770 924857224 /nfs/dbraw/zinc/85/72/24/924857224.db2.gz DWSRHZXNJKYJGO-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001401356770 924857232 /nfs/dbraw/zinc/85/72/32/924857232.db2.gz DWSRHZXNJKYJGO-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001401364415 924857823 /nfs/dbraw/zinc/85/78/23/924857823.db2.gz VYWJDFMSCKJEAX-LBPRGKRZSA-N 1 1 321.443 -1.248 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001401364415 924857836 /nfs/dbraw/zinc/85/78/36/924857836.db2.gz VYWJDFMSCKJEAX-LBPRGKRZSA-N 1 1 321.443 -1.248 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401384812 924857895 /nfs/dbraw/zinc/85/78/95/924857895.db2.gz OMOCEXXBZFEJOB-GARJFASQSA-N 1 1 314.386 -1.327 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401384812 924857897 /nfs/dbraw/zinc/85/78/97/924857897.db2.gz OMOCEXXBZFEJOB-GARJFASQSA-N 1 1 314.386 -1.327 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001401386879 924858596 /nfs/dbraw/zinc/85/85/96/924858596.db2.gz YEAQLTMLVCFBEJ-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001401386879 924858602 /nfs/dbraw/zinc/85/86/02/924858602.db2.gz YEAQLTMLVCFBEJ-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001401366792 924858686 /nfs/dbraw/zinc/85/86/86/924858686.db2.gz WLIVBAWAOSRVNS-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001401366792 924858694 /nfs/dbraw/zinc/85/86/94/924858694.db2.gz WLIVBAWAOSRVNS-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1C[C@]12CCOC2 ZINC001401419713 924859874 /nfs/dbraw/zinc/85/98/74/924859874.db2.gz FLVIKMZADRHXFL-YGRLFVJLSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1C[C@]12CCOC2 ZINC001401419713 924859881 /nfs/dbraw/zinc/85/98/81/924859881.db2.gz FLVIKMZADRHXFL-YGRLFVJLSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001401475330 924860640 /nfs/dbraw/zinc/86/06/40/924860640.db2.gz FCFRHZDQYSAZHS-RYUDHWBXSA-N 1 1 319.427 -1.207 20 0 DAADMO CCc1nnc(N2CCNC(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001401464142 924860883 /nfs/dbraw/zinc/86/08/83/924860883.db2.gz NYFQWCJTMOBNLI-CQSZACIVSA-N 1 1 308.386 -1.157 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnon3)CC[C@@H]21 ZINC001401474679 924860964 /nfs/dbraw/zinc/86/09/64/924860964.db2.gz DTSQJDBMIDKDDL-SCZZXKLOSA-N 1 1 322.325 -1.199 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001401454784 924861192 /nfs/dbraw/zinc/86/11/92/924861192.db2.gz XXXGJRSQXWSTGC-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001401454784 924861197 /nfs/dbraw/zinc/86/11/97/924861197.db2.gz XXXGJRSQXWSTGC-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3cnon3)CC[C@H]21 ZINC001401474694 924861265 /nfs/dbraw/zinc/86/12/65/924861265.db2.gz DTSQJDBMIDKDDL-WCBMZHEXSA-N 1 1 322.325 -1.199 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401485336 924862009 /nfs/dbraw/zinc/86/20/09/924862009.db2.gz AOWUYRXWIIMMRV-GFCCVEGCSA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)c1N ZINC001401492214 924864714 /nfs/dbraw/zinc/86/47/14/924864714.db2.gz FAPGZOMZVWGLAA-SSDOTTSWSA-N 1 1 311.371 -1.266 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccnn2C)nn1 ZINC001401489942 924865444 /nfs/dbraw/zinc/86/54/44/924865444.db2.gz GGWZIGMDGVUQCN-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001401490471 924865503 /nfs/dbraw/zinc/86/55/03/924865503.db2.gz LYUYPFKZGBZYED-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001401497142 924867360 /nfs/dbraw/zinc/86/73/60/924867360.db2.gz UZBANUNQZNAHLA-PELKAZGASA-N 1 1 324.385 -1.281 20 0 DAADMO CCn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001401497969 924867737 /nfs/dbraw/zinc/86/77/37/924867737.db2.gz NBYUHASXQYRFRL-OLZOCXBDSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001401502879 924870406 /nfs/dbraw/zinc/87/04/06/924870406.db2.gz GRXPLZCVFTXDLX-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cccc(=O)[nH]1)c1nnnn1C ZINC001401505174 924870773 /nfs/dbraw/zinc/87/07/73/924870773.db2.gz MJMNPAWQLRSZRN-IUCAKERBSA-N 1 1 321.341 -1.248 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001401503316 924870923 /nfs/dbraw/zinc/87/09/23/924870923.db2.gz XKOHVQZSNJZGNH-WDEREUQCSA-N 1 1 312.374 -1.314 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC001401503344 924871372 /nfs/dbraw/zinc/87/13/72/924871372.db2.gz XOWFBDJUGYPWOC-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)n1 ZINC001401503289 924871874 /nfs/dbraw/zinc/87/18/74/924871874.db2.gz HOWQDRZBKZONMW-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001401506460 924871901 /nfs/dbraw/zinc/87/19/01/924871901.db2.gz VDFAWSYBJLOLBU-GFCCVEGCSA-N 1 1 309.370 -1.625 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cccc(=O)[nH]1)c1nnnn1C ZINC001401505164 924871916 /nfs/dbraw/zinc/87/19/16/924871916.db2.gz MJMNPAWQLRSZRN-BDAKNGLRSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)nc1 ZINC001401507404 924871963 /nfs/dbraw/zinc/87/19/63/924871963.db2.gz MRLXZNAEWQJDBQ-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001401503313 924872058 /nfs/dbraw/zinc/87/20/58/924872058.db2.gz XKOHVQZSNJZGNH-QWRGUYRKSA-N 1 1 312.374 -1.314 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001401510883 924873767 /nfs/dbraw/zinc/87/37/67/924873767.db2.gz RYAIPNRLOSVOLK-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001401519433 924874625 /nfs/dbraw/zinc/87/46/25/924874625.db2.gz ZRCOFUAIWFFPKJ-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)s1 ZINC001401517648 924875597 /nfs/dbraw/zinc/87/55/97/924875597.db2.gz YXGFAOVMMSJIRQ-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001401519436 924875904 /nfs/dbraw/zinc/87/59/04/924875904.db2.gz ZRCOFUAIWFFPKJ-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cccn2)nn1 ZINC001401523286 924876087 /nfs/dbraw/zinc/87/60/87/924876087.db2.gz XTKOWBJRJSSMNH-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001401534318 924877410 /nfs/dbraw/zinc/87/74/10/924877410.db2.gz BIIVXEVVPNRBLN-LLVKDONJSA-N 1 1 316.402 -2.103 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001401541168 924880403 /nfs/dbraw/zinc/88/04/03/924880403.db2.gz NXOLKQCTNXWTQM-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001401543756 924880564 /nfs/dbraw/zinc/88/05/64/924880564.db2.gz JBTXLHKAJGHEAT-MWLCHTKSSA-N 1 1 300.363 -1.552 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001401541153 924880593 /nfs/dbraw/zinc/88/05/93/924880593.db2.gz NXOLKQCTNXWTQM-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)n1 ZINC001401545065 924881820 /nfs/dbraw/zinc/88/18/20/924881820.db2.gz FFKIKZCWSQVXPB-RISCZKNCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001401546811 924882380 /nfs/dbraw/zinc/88/23/80/924882380.db2.gz UCSZCWGHYNQTHC-ZDUSSCGKSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]cn2)nn1 ZINC001401544641 924882918 /nfs/dbraw/zinc/88/29/18/924882918.db2.gz GCUCOULKIOPCJZ-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)nn1 ZINC001401548283 924884003 /nfs/dbraw/zinc/88/40/03/924884003.db2.gz XPWDXZZECNXVTM-FZMZJTMJSA-N 1 1 324.385 -1.702 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001401548054 924884975 /nfs/dbraw/zinc/88/49/75/924884975.db2.gz AIBSNKAGZQQIHW-ZJUUUORDSA-N 1 1 312.370 -1.414 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001401556424 924887503 /nfs/dbraw/zinc/88/75/03/924887503.db2.gz OTSOOVPIQLTITE-VIFPVBQESA-N 1 1 313.358 -1.669 20 0 DAADMO Cc1noc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001401560516 924889744 /nfs/dbraw/zinc/88/97/44/924889744.db2.gz SNXWPQHCHHGJQW-LLVKDONJSA-N 1 1 323.357 -1.294 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ccn1C ZINC001401559509 924890198 /nfs/dbraw/zinc/89/01/98/924890198.db2.gz PWAFLIIWYTZQEO-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)s1 ZINC001401561092 924890572 /nfs/dbraw/zinc/89/05/72/924890572.db2.gz JBNSLWIRECFIBP-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ccn1C ZINC001401559504 924890583 /nfs/dbraw/zinc/89/05/83/924890583.db2.gz PWAFLIIWYTZQEO-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001401561448 924891850 /nfs/dbraw/zinc/89/18/50/924891850.db2.gz VPLWQYACIOTGRO-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001401562359 924892020 /nfs/dbraw/zinc/89/20/20/924892020.db2.gz JSLXWZVTFMKTAZ-QWRGUYRKSA-N 1 1 324.385 -1.607 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001401564784 924892408 /nfs/dbraw/zinc/89/24/08/924892408.db2.gz WWRZFNGTFNIZBG-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001401564784 924892415 /nfs/dbraw/zinc/89/24/15/924892415.db2.gz WWRZFNGTFNIZBG-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnoc1)c1nnnn1C ZINC001401563264 924893352 /nfs/dbraw/zinc/89/33/52/924893352.db2.gz XROZFPSOWAKEIF-PSASIEDQSA-N 1 1 309.330 -1.432 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401565468 924893962 /nfs/dbraw/zinc/89/39/62/924893962.db2.gz YBAQURHHDWZCCW-SNVBAGLBSA-N 1 1 320.357 -1.080 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)c1[nH]nc2c1CCCC2 ZINC001401566802 924895121 /nfs/dbraw/zinc/89/51/21/924895121.db2.gz QDQUYNJHYOQCCJ-SKDRFNHKSA-N 1 1 321.381 -1.143 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001401567564 924895179 /nfs/dbraw/zinc/89/51/79/924895179.db2.gz FEGOVVVCABCZML-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001401564827 924895202 /nfs/dbraw/zinc/89/52/02/924895202.db2.gz BUPWFIZMBSTILD-SNVBAGLBSA-N 1 1 307.358 -1.170 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)c1[nH]nc2c1CCCC2 ZINC001401566794 924895249 /nfs/dbraw/zinc/89/52/49/924895249.db2.gz QDQUYNJHYOQCCJ-JOYOIKCWSA-N 1 1 321.381 -1.143 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001401567859 924895515 /nfs/dbraw/zinc/89/55/15/924895515.db2.gz NXEMATLWERLUHQ-WDEREUQCSA-N 1 1 312.374 -1.407 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001401566093 924895552 /nfs/dbraw/zinc/89/55/52/924895552.db2.gz AJGHBNAZFXOEIL-VHSXEESVSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001401566093 924895561 /nfs/dbraw/zinc/89/55/61/924895561.db2.gz AJGHBNAZFXOEIL-VHSXEESVSA-N 1 1 312.374 -1.258 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001401574507 924899854 /nfs/dbraw/zinc/89/98/54/924899854.db2.gz UEGOBORKFOVYDB-QMMMGPOBSA-N 1 1 320.375 -3.069 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cncn1)c1nncn1C ZINC001401579845 924901151 /nfs/dbraw/zinc/90/11/51/924901151.db2.gz TYHHBODJUYZMNW-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001401580303 924902047 /nfs/dbraw/zinc/90/20/47/924902047.db2.gz JWEFVTQBJXPBLN-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001401589437 924902439 /nfs/dbraw/zinc/90/24/39/924902439.db2.gz XLAWLNSVTGWAPY-DGCLKSJQSA-N 1 1 310.402 -1.184 20 0 DAADMO CCn1cc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001401589427 924902481 /nfs/dbraw/zinc/90/24/81/924902481.db2.gz XLAWLNSVTGWAPY-AAEUAGOBSA-N 1 1 310.402 -1.184 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001401596919 924903200 /nfs/dbraw/zinc/90/32/00/924903200.db2.gz FEMOZUFMYMIVIQ-RKDXNWHRSA-N 1 1 310.362 -1.609 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001401586771 924903662 /nfs/dbraw/zinc/90/36/62/924903662.db2.gz MFMQOBYUHGBLPS-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001401589459 924903953 /nfs/dbraw/zinc/90/39/53/924903953.db2.gz XLAWLNSVTGWAPY-YPMHNXCESA-N 1 1 310.402 -1.184 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001401632045 924906950 /nfs/dbraw/zinc/90/69/50/924906950.db2.gz TYYVTRWXULQSLQ-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cnn[nH]1 ZINC001401631007 924907638 /nfs/dbraw/zinc/90/76/38/924907638.db2.gz BYJZKKNPUNTCDM-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1conc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001401640901 924910527 /nfs/dbraw/zinc/91/05/27/924910527.db2.gz VFCDBEPWLIUDTE-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001401641554 924910615 /nfs/dbraw/zinc/91/06/15/924910615.db2.gz UVYOEEYMNYEFOX-GFCCVEGCSA-N 1 1 320.397 -1.189 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001401673731 924911376 /nfs/dbraw/zinc/91/13/76/924911376.db2.gz XATMQBOGZPQYDB-VIFPVBQESA-N 1 1 310.358 -1.461 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CS(=O)(=O)N(C)C ZINC001401660330 924911638 /nfs/dbraw/zinc/91/16/38/924911638.db2.gz JBLYYAMDWWWYQS-MRVPVSSYSA-N 1 1 305.360 -1.445 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001401658822 924911728 /nfs/dbraw/zinc/91/17/28/924911728.db2.gz ZYYIUPJKYIDONY-MRVPVSSYSA-N 1 1 323.357 -1.351 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CCNS(C)(=O)=O ZINC001401680142 924912101 /nfs/dbraw/zinc/91/21/01/924912101.db2.gz BVYMCLQKPUEKNV-QMMMGPOBSA-N 1 1 305.360 -1.397 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401683797 924914575 /nfs/dbraw/zinc/91/45/75/924914575.db2.gz CYKUEXMCWDCQQL-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001401684160 924914948 /nfs/dbraw/zinc/91/49/48/924914948.db2.gz YGKFJIAHBHEDCE-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001401701433 924915920 /nfs/dbraw/zinc/91/59/20/924915920.db2.gz LKDPCSFHHVORKV-DTWKUNHWSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401712637 924916704 /nfs/dbraw/zinc/91/67/04/924916704.db2.gz QICVVJZXMMIBLO-BDAKNGLRSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)COCc1nncn1C ZINC001401711691 924916750 /nfs/dbraw/zinc/91/67/50/924916750.db2.gz RONNIGNINAZECA-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)NC(=O)Cc1nnc[nH]1 ZINC001401721460 924916767 /nfs/dbraw/zinc/91/67/67/924916767.db2.gz UFYQLIDXBLLMKZ-QWRGUYRKSA-N 1 1 307.358 -1.301 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001401747456 924917910 /nfs/dbraw/zinc/91/79/10/924917910.db2.gz IAUVIDUGFHAAKU-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756277 924917944 /nfs/dbraw/zinc/91/79/44/924917944.db2.gz DCMHSPGUEYJASR-VHSXEESVSA-N 1 1 323.353 -1.726 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756277 924917953 /nfs/dbraw/zinc/91/79/53/924917953.db2.gz DCMHSPGUEYJASR-VHSXEESVSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001401752928 924917971 /nfs/dbraw/zinc/91/79/71/924917971.db2.gz PJGYVPROGUIBRN-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001401752928 924917980 /nfs/dbraw/zinc/91/79/80/924917980.db2.gz PJGYVPROGUIBRN-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001401733901 924918238 /nfs/dbraw/zinc/91/82/38/924918238.db2.gz OIVNYSYMJAXRQU-SNVBAGLBSA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001401733901 924918244 /nfs/dbraw/zinc/91/82/44/924918244.db2.gz OIVNYSYMJAXRQU-SNVBAGLBSA-N 1 1 318.403 -1.456 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001401752166 924919026 /nfs/dbraw/zinc/91/90/26/924919026.db2.gz JGAPKNHNZGZUTQ-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001401752166 924919035 /nfs/dbraw/zinc/91/90/35/924919035.db2.gz JGAPKNHNZGZUTQ-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001401744166 924919370 /nfs/dbraw/zinc/91/93/70/924919370.db2.gz ZRCBKRQGGVDKRJ-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001401744166 924919376 /nfs/dbraw/zinc/91/93/76/924919376.db2.gz ZRCBKRQGGVDKRJ-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401758681 924919523 /nfs/dbraw/zinc/91/95/23/924919523.db2.gz NXHJXNJTMRRGAA-MWLCHTKSSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401758681 924919533 /nfs/dbraw/zinc/91/95/33/924919533.db2.gz NXHJXNJTMRRGAA-MWLCHTKSSA-N 1 1 308.400 -1.525 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001401751859 924919781 /nfs/dbraw/zinc/91/97/81/924919781.db2.gz GBGBXJASXBJUJT-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001401751859 924919791 /nfs/dbraw/zinc/91/97/91/924919791.db2.gz GBGBXJASXBJUJT-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1cncn1 ZINC001401770523 924920694 /nfs/dbraw/zinc/92/06/94/924920694.db2.gz QEHXXBATUNCZLJ-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1cncn1 ZINC001401770523 924920702 /nfs/dbraw/zinc/92/07/02/924920702.db2.gz QEHXXBATUNCZLJ-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795312 924920801 /nfs/dbraw/zinc/92/08/01/924920801.db2.gz QYWLYEMZTUGILX-IUCAKERBSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795312 924920815 /nfs/dbraw/zinc/92/08/15/924920815.db2.gz QYWLYEMZTUGILX-IUCAKERBSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001401764251 924921200 /nfs/dbraw/zinc/92/12/00/924921200.db2.gz QFKWZDGIGZWNLG-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001401764251 924921207 /nfs/dbraw/zinc/92/12/07/924921207.db2.gz QFKWZDGIGZWNLG-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001401766147 924921671 /nfs/dbraw/zinc/92/16/71/924921671.db2.gz RWEHHUDJPRAOKZ-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001401766147 924921683 /nfs/dbraw/zinc/92/16/83/924921683.db2.gz RWEHHUDJPRAOKZ-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401777047 924922090 /nfs/dbraw/zinc/92/20/90/924922090.db2.gz KEAWDSXAMFGNQF-AEJSXWLSSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401777047 924922098 /nfs/dbraw/zinc/92/20/98/924922098.db2.gz KEAWDSXAMFGNQF-AEJSXWLSSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)Cn1ncn2nccc2c1=O ZINC001401777125 924922138 /nfs/dbraw/zinc/92/21/38/924922138.db2.gz KAQUJYDPNSSHNS-LLVKDONJSA-N 1 1 322.369 -1.290 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H](C)n1cncn1 ZINC001401770519 924922184 /nfs/dbraw/zinc/92/21/84/924922184.db2.gz QEHXXBATUNCZLJ-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H](C)n1cncn1 ZINC001401770519 924922188 /nfs/dbraw/zinc/92/21/88/924922188.db2.gz QEHXXBATUNCZLJ-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001401807355 924923161 /nfs/dbraw/zinc/92/31/61/924923161.db2.gz QCSIBFYIDITDHP-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001401807355 924923166 /nfs/dbraw/zinc/92/31/66/924923166.db2.gz QCSIBFYIDITDHP-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401803784 924923451 /nfs/dbraw/zinc/92/34/51/924923451.db2.gz IZTRLELAZXMLOK-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001401806935 924923621 /nfs/dbraw/zinc/92/36/21/924923621.db2.gz SYROGDXMHSURLF-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001401806935 924923628 /nfs/dbraw/zinc/92/36/28/924923628.db2.gz SYROGDXMHSURLF-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401815283 924923671 /nfs/dbraw/zinc/92/36/71/924923671.db2.gz ZTEQFNXUSMPOIM-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401815283 924923674 /nfs/dbraw/zinc/92/36/74/924923674.db2.gz ZTEQFNXUSMPOIM-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401824788 924923731 /nfs/dbraw/zinc/92/37/31/924923731.db2.gz QNLKVNKGMTXPMB-QMMMGPOBSA-N 1 1 319.387 -1.023 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401824788 924923736 /nfs/dbraw/zinc/92/37/36/924923736.db2.gz QNLKVNKGMTXPMB-QMMMGPOBSA-N 1 1 319.387 -1.023 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001401835091 924925049 /nfs/dbraw/zinc/92/50/49/924925049.db2.gz NFOPJPMYOODGKL-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001401846526 924925079 /nfs/dbraw/zinc/92/50/79/924925079.db2.gz GUNMXGSEDQBHLL-QWRGUYRKSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)n1 ZINC001401831689 924925280 /nfs/dbraw/zinc/92/52/80/924925280.db2.gz CGGATGRRWUSLMX-GHMZBOCLSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401845995 924925668 /nfs/dbraw/zinc/92/56/68/924925668.db2.gz CLCMVBZOQNDNMA-ZJUUUORDSA-N 1 1 307.358 -1.519 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001401873633 924927202 /nfs/dbraw/zinc/92/72/02/924927202.db2.gz DVFOHEVWJJABLW-KBPBESRZSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001401873642 924927649 /nfs/dbraw/zinc/92/76/49/924927649.db2.gz DVFOHEVWJJABLW-KGLIPLIRSA-N 1 1 323.397 -1.087 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001401877479 924927770 /nfs/dbraw/zinc/92/77/70/924927770.db2.gz YXBRNFVQGIBYLJ-SNVBAGLBSA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001401877479 924927776 /nfs/dbraw/zinc/92/77/76/924927776.db2.gz YXBRNFVQGIBYLJ-SNVBAGLBSA-N 1 1 308.346 -2.111 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001401882174 924928150 /nfs/dbraw/zinc/92/81/50/924928150.db2.gz XZIZFZWUAUQSTM-UTLUCORTSA-N 1 1 307.358 -1.684 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001401889100 924929513 /nfs/dbraw/zinc/92/95/13/924929513.db2.gz LEQXVDNNLSRBEX-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001401889088 924929607 /nfs/dbraw/zinc/92/96/07/924929607.db2.gz LEQXVDNNLSRBEX-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1)NC(N)=O ZINC001401897379 924930529 /nfs/dbraw/zinc/93/05/29/924930529.db2.gz XANQIWOREZFLSG-GHMZBOCLSA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1)NC(N)=O ZINC001401897379 924930533 /nfs/dbraw/zinc/93/05/33/924930533.db2.gz XANQIWOREZFLSG-GHMZBOCLSA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401911070 924931677 /nfs/dbraw/zinc/93/16/77/924931677.db2.gz DGUVMUKMOMKXBY-STQMWFEESA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1)NC(N)=O ZINC001401897385 924931839 /nfs/dbraw/zinc/93/18/39/924931839.db2.gz XANQIWOREZFLSG-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1)NC(N)=O ZINC001401897385 924931848 /nfs/dbraw/zinc/93/18/48/924931848.db2.gz XANQIWOREZFLSG-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001401904019 924931975 /nfs/dbraw/zinc/93/19/75/924931975.db2.gz IOQVSBAYRYKEEM-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001401904019 924931979 /nfs/dbraw/zinc/93/19/79/924931979.db2.gz IOQVSBAYRYKEEM-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001401906718 924932142 /nfs/dbraw/zinc/93/21/42/924932142.db2.gz GKQFJAXIPBOUKI-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001401906718 924932148 /nfs/dbraw/zinc/93/21/48/924932148.db2.gz GKQFJAXIPBOUKI-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001401927494 924932878 /nfs/dbraw/zinc/93/28/78/924932878.db2.gz WPEGKZHYKNALII-ZJUUUORDSA-N 1 1 310.354 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cnccc1=O ZINC001401926316 924933397 /nfs/dbraw/zinc/93/33/97/924933397.db2.gz PGFPLOXBRDZHTL-QWHCGFSZSA-N 1 1 324.381 -1.169 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cnccc1=O ZINC001401926299 924934124 /nfs/dbraw/zinc/93/41/24/924934124.db2.gz PGFPLOXBRDZHTL-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001401934867 924934520 /nfs/dbraw/zinc/93/45/20/924934520.db2.gz TYCVJNRJCBTBMX-NEPJUHHUSA-N 1 1 324.385 -1.250 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O ZINC001401926432 924934560 /nfs/dbraw/zinc/93/45/60/924934560.db2.gz VZQIHUSQSGXUBD-KOLCDFICSA-N 1 1 322.369 -1.035 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001402019249 924939862 /nfs/dbraw/zinc/93/98/62/924939862.db2.gz PYWPMBCOXBMGKH-UHFFFAOYSA-N 1 1 302.350 -1.259 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001402014856 924940145 /nfs/dbraw/zinc/94/01/45/924940145.db2.gz CPXVZFSFKKOORL-NSHDSACASA-N 1 1 323.415 -1.972 20 0 DAADMO CN(CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1)S(C)(=O)=O ZINC001402045531 924941251 /nfs/dbraw/zinc/94/12/51/924941251.db2.gz VUJJCSKCLAESKA-UHFFFAOYSA-N 1 1 320.415 -1.714 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001402081806 924943331 /nfs/dbraw/zinc/94/33/31/924943331.db2.gz RKLWBJYITSFTIC-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001402113858 924945299 /nfs/dbraw/zinc/94/52/99/924945299.db2.gz RLLUVSOGBNIGBP-LLVKDONJSA-N 1 1 312.374 -1.841 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402109670 924945394 /nfs/dbraw/zinc/94/53/94/924945394.db2.gz BBTCVCCEKUFADH-CQSZACIVSA-N 1 1 311.386 -1.272 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001402132640 924946918 /nfs/dbraw/zinc/94/69/18/924946918.db2.gz YMFJZEIDPIFYPT-GWCFXTLKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402137013 924947048 /nfs/dbraw/zinc/94/70/48/924947048.db2.gz QLOJCRNXFDCROL-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402137013 924947055 /nfs/dbraw/zinc/94/70/55/924947055.db2.gz QLOJCRNXFDCROL-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)c2ccccn2)CC[N@H+](CC(N)=O)C1 ZINC001402132771 924947223 /nfs/dbraw/zinc/94/72/23/924947223.db2.gz VNKUYAMYZLQXEF-OAHLLOKOSA-N 1 1 319.365 -1.123 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)c2ccccn2)CC[N@@H+](CC(N)=O)C1 ZINC001402132771 924947229 /nfs/dbraw/zinc/94/72/29/924947229.db2.gz VNKUYAMYZLQXEF-OAHLLOKOSA-N 1 1 319.365 -1.123 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)OC)C1 ZINC001402137049 924947550 /nfs/dbraw/zinc/94/75/50/924947550.db2.gz POTUMIDEFVTQJY-JQWIXIFHSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)COC)C1 ZINC001402124609 924947645 /nfs/dbraw/zinc/94/76/45/924947645.db2.gz FLHJUFBRMHUGOG-JQWIXIFHSA-N 1 1 322.431 -1.344 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402136604 924947774 /nfs/dbraw/zinc/94/77/74/924947774.db2.gz GWOWZLRUYDVYFJ-CQSZACIVSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402136604 924947783 /nfs/dbraw/zinc/94/77/83/924947783.db2.gz GWOWZLRUYDVYFJ-CQSZACIVSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001402148840 924948703 /nfs/dbraw/zinc/94/87/03/924948703.db2.gz RXBPQXZPBHTAHS-CQSZACIVSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001402148840 924948708 /nfs/dbraw/zinc/94/87/08/924948708.db2.gz RXBPQXZPBHTAHS-CQSZACIVSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@]1(NC(=O)Cn2cncn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402146557 924948977 /nfs/dbraw/zinc/94/89/77/924948977.db2.gz XMPVRUMEOOCVIS-AWEZNQCLSA-N 1 1 321.385 -1.116 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN1CCN(CC(N)=O)CC1 ZINC001402158903 924949147 /nfs/dbraw/zinc/94/91/47/924949147.db2.gz LBSQNHRPRHJSBR-UHFFFAOYSA-N 1 1 308.386 -1.589 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215082 924950817 /nfs/dbraw/zinc/95/08/17/924950817.db2.gz QSROGLMEQAAKGU-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215082 924950823 /nfs/dbraw/zinc/95/08/23/924950823.db2.gz QSROGLMEQAAKGU-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001402171114 924951349 /nfs/dbraw/zinc/95/13/49/924951349.db2.gz ZDJOJKIUNGSSDY-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001402207787 924951417 /nfs/dbraw/zinc/95/14/17/924951417.db2.gz AYYWWVUJCYDDRS-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001402207787 924951422 /nfs/dbraw/zinc/95/14/22/924951422.db2.gz AYYWWVUJCYDDRS-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001402171120 924951764 /nfs/dbraw/zinc/95/17/64/924951764.db2.gz ZDJOJKIUNGSSDY-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402175438 924951879 /nfs/dbraw/zinc/95/18/79/924951879.db2.gz UROIYXDJLCXDMO-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402175438 924951885 /nfs/dbraw/zinc/95/18/85/924951885.db2.gz UROIYXDJLCXDMO-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@]1(CNC(=O)Cn2cnc(C(N)=O)n2)CCC[N@@H+](CCO)C1 ZINC001402204826 924952102 /nfs/dbraw/zinc/95/21/02/924952102.db2.gz GXHGNHDNIVTMCH-AWEZNQCLSA-N 1 1 324.385 -1.412 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001402191453 924952201 /nfs/dbraw/zinc/95/22/01/924952201.db2.gz QHVNCZIMDRGABT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001402243697 924952712 /nfs/dbraw/zinc/95/27/12/924952712.db2.gz FYJQJVRAOBUQQL-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001402247389 924953054 /nfs/dbraw/zinc/95/30/54/924953054.db2.gz PZZRLSJWUWXHLI-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001402250619 924953336 /nfs/dbraw/zinc/95/33/36/924953336.db2.gz SIDXRPLMBPYMDS-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001402250619 924953344 /nfs/dbraw/zinc/95/33/44/924953344.db2.gz SIDXRPLMBPYMDS-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnnn2)CCC[N@H+](CC(N)=O)C1 ZINC001402222785 924954159 /nfs/dbraw/zinc/95/41/59/924954159.db2.gz IDBOMWNCJURMIY-CYBMUJFWSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnnn2)CCC[N@@H+](CC(N)=O)C1 ZINC001402222785 924954165 /nfs/dbraw/zinc/95/41/65/924954165.db2.gz IDBOMWNCJURMIY-CYBMUJFWSA-N 1 1 309.374 -1.233 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001402250623 924954184 /nfs/dbraw/zinc/95/41/84/924954184.db2.gz SIDXRPLMBPYMDS-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001402250623 924954191 /nfs/dbraw/zinc/95/41/91/924954191.db2.gz SIDXRPLMBPYMDS-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402262607 924955127 /nfs/dbraw/zinc/95/51/27/924955127.db2.gz HICQPUXBXGLRII-RISCZKNCSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402262607 924955133 /nfs/dbraw/zinc/95/51/33/924955133.db2.gz HICQPUXBXGLRII-RISCZKNCSA-N 1 1 322.369 -1.846 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001402257491 924955336 /nfs/dbraw/zinc/95/53/36/924955336.db2.gz ODIDHSZHGMOZFW-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001402256506 924955364 /nfs/dbraw/zinc/95/53/64/924955364.db2.gz GSVKEKNBTPQMGB-LBPRGKRZSA-N 1 1 313.383 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001402256506 924955371 /nfs/dbraw/zinc/95/53/71/924955371.db2.gz GSVKEKNBTPQMGB-LBPRGKRZSA-N 1 1 313.383 -1.159 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265460 924955511 /nfs/dbraw/zinc/95/55/11/924955511.db2.gz GXQDROFBICMDKH-BXKDBHETSA-N 1 1 306.384 -2.035 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265460 924955515 /nfs/dbraw/zinc/95/55/15/924955515.db2.gz GXQDROFBICMDKH-BXKDBHETSA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001402258830 924956158 /nfs/dbraw/zinc/95/61/58/924956158.db2.gz AWXDKONBVASNHA-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001402258830 924956166 /nfs/dbraw/zinc/95/61/66/924956166.db2.gz AWXDKONBVASNHA-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402262306 924956348 /nfs/dbraw/zinc/95/63/48/924956348.db2.gz CUHHBEFPSSXTSI-CMPLNLGQSA-N 1 1 314.346 -2.767 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402264385 924956547 /nfs/dbraw/zinc/95/65/47/924956547.db2.gz KLCJSGVYXXWKMS-SMDDNHRTSA-N 1 1 301.387 -1.164 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265519 924956599 /nfs/dbraw/zinc/95/65/99/924956599.db2.gz GXQDROFBICMDKH-SKDRFNHKSA-N 1 1 306.384 -2.035 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265519 924956601 /nfs/dbraw/zinc/95/66/01/924956601.db2.gz GXQDROFBICMDKH-SKDRFNHKSA-N 1 1 306.384 -2.035 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402253876 924956654 /nfs/dbraw/zinc/95/66/54/924956654.db2.gz AAQRDEWDUNHJDU-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402253876 924956658 /nfs/dbraw/zinc/95/66/58/924956658.db2.gz AAQRDEWDUNHJDU-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265509 924956691 /nfs/dbraw/zinc/95/66/91/924956691.db2.gz GXQDROFBICMDKH-JOYOIKCWSA-N 1 1 306.384 -2.035 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265509 924956696 /nfs/dbraw/zinc/95/66/96/924956696.db2.gz GXQDROFBICMDKH-JOYOIKCWSA-N 1 1 306.384 -2.035 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001402257744 924956835 /nfs/dbraw/zinc/95/68/35/924956835.db2.gz CCEZJRVXTVVJCD-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001402257744 924956842 /nfs/dbraw/zinc/95/68/42/924956842.db2.gz CCEZJRVXTVVJCD-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402263004 924956929 /nfs/dbraw/zinc/95/69/29/924956929.db2.gz CUHHBEFPSSXTSI-ZYHUDNBSSA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001402258828 924956946 /nfs/dbraw/zinc/95/69/46/924956946.db2.gz AWXDKONBVASNHA-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001402258828 924956953 /nfs/dbraw/zinc/95/69/53/924956953.db2.gz AWXDKONBVASNHA-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267838 924957854 /nfs/dbraw/zinc/95/78/54/924957854.db2.gz AFHAFPNTDMQIOW-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267838 924957859 /nfs/dbraw/zinc/95/78/59/924957859.db2.gz AFHAFPNTDMQIOW-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402272245 924957879 /nfs/dbraw/zinc/95/78/79/924957879.db2.gz OLGLUCBWTHTLCD-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402272245 924957888 /nfs/dbraw/zinc/95/78/88/924957888.db2.gz OLGLUCBWTHTLCD-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001402268352 924958212 /nfs/dbraw/zinc/95/82/12/924958212.db2.gz SHSBVJVTPGDGJR-RISCZKNCSA-N 1 1 317.386 -1.927 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCOC1 ZINC001402267468 924958426 /nfs/dbraw/zinc/95/84/26/924958426.db2.gz RPCPVXFDWZEDPW-TZMCWYRMSA-N 1 1 309.370 -1.132 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001402267533 924958508 /nfs/dbraw/zinc/95/85/08/924958508.db2.gz RVPARLUYZJKHNE-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCCCS1(=O)=O ZINC001402265630 924958616 /nfs/dbraw/zinc/95/86/16/924958616.db2.gz HUPPUDSAGNRWCG-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCCCS1(=O)=O ZINC001402265630 924958619 /nfs/dbraw/zinc/95/86/19/924958619.db2.gz HUPPUDSAGNRWCG-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001402270594 924959561 /nfs/dbraw/zinc/95/95/61/924959561.db2.gz QTWFFHQQUDODFN-RISCZKNCSA-N 1 1 312.370 -1.406 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001402268806 924959686 /nfs/dbraw/zinc/95/96/86/924959686.db2.gz SFIOFCQQXPNVLE-NSHDSACASA-N 1 1 309.374 -1.327 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402268920 924959901 /nfs/dbraw/zinc/95/99/01/924959901.db2.gz UKKJAXVFLFACFQ-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402268920 924959907 /nfs/dbraw/zinc/95/99/07/924959907.db2.gz UKKJAXVFLFACFQ-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001402274622 924960577 /nfs/dbraw/zinc/96/05/77/924960577.db2.gz VHBCQNQJVNPMRA-IINYFYTJSA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)ccc1=O ZINC001402278403 924960750 /nfs/dbraw/zinc/96/07/50/924960750.db2.gz CEACYLLDMPGHNS-AWEZNQCLSA-N 1 1 310.354 -1.578 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001402275103 924961313 /nfs/dbraw/zinc/96/13/13/924961313.db2.gz QIZDZXKCABVMAV-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001402275103 924961318 /nfs/dbraw/zinc/96/13/18/924961318.db2.gz QIZDZXKCABVMAV-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1COC(=O)N1 ZINC001402273793 924961399 /nfs/dbraw/zinc/96/13/99/924961399.db2.gz ISJTVZNPNFXKDQ-BXUZGUMPSA-N 1 1 323.353 -1.456 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001402274845 924961423 /nfs/dbraw/zinc/96/14/23/924961423.db2.gz LAURUWDMHDGBGR-ZDUSSCGKSA-N 1 1 313.358 -2.219 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)cn1 ZINC001402276810 924961868 /nfs/dbraw/zinc/96/18/68/924961868.db2.gz UVYMZTYOYUFMSY-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)cn1 ZINC001402276810 924961878 /nfs/dbraw/zinc/96/18/78/924961878.db2.gz UVYMZTYOYUFMSY-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1COCCO1 ZINC001402273302 924962243 /nfs/dbraw/zinc/96/22/43/924962243.db2.gz VWISPSMKZXUEEE-DZGCQCFKSA-N 1 1 324.381 -1.149 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001402273827 924962321 /nfs/dbraw/zinc/96/23/21/924962321.db2.gz BJICROFVLABHJV-WFASDCNBSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001402273827 924962326 /nfs/dbraw/zinc/96/23/26/924962326.db2.gz BJICROFVLABHJV-WFASDCNBSA-N 1 1 323.397 -1.073 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402278687 924962491 /nfs/dbraw/zinc/96/24/91/924962491.db2.gz WPUNHIBGYFNVEO-RISCZKNCSA-N 1 1 309.370 -1.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001402282731 924963192 /nfs/dbraw/zinc/96/31/92/924963192.db2.gz VTGJRCKBTFHUAI-AAEUAGOBSA-N 1 1 310.358 -1.737 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001402283180 924963382 /nfs/dbraw/zinc/96/33/82/924963382.db2.gz YQJUSDXBQDMEEY-NHYWBVRUSA-N 1 1 324.381 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3nccn32)C1 ZINC001402282377 924963531 /nfs/dbraw/zinc/96/35/31/924963531.db2.gz HERWVYVTSDTDNV-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc3nccn32)C1 ZINC001402282377 924963538 /nfs/dbraw/zinc/96/35/38/924963538.db2.gz HERWVYVTSDTDNV-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001402282770 924963554 /nfs/dbraw/zinc/96/35/54/924963554.db2.gz VTGJRCKBTFHUAI-WCQYABFASA-N 1 1 310.358 -1.737 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001402278740 924963566 /nfs/dbraw/zinc/96/35/66/924963566.db2.gz CZCQAKYGTJGCPA-ZDUSSCGKSA-N 1 1 311.342 -1.238 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001402278740 924963571 /nfs/dbraw/zinc/96/35/71/924963571.db2.gz CZCQAKYGTJGCPA-ZDUSSCGKSA-N 1 1 311.342 -1.238 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001402282752 924963685 /nfs/dbraw/zinc/96/36/85/924963685.db2.gz VTGJRCKBTFHUAI-DGCLKSJQSA-N 1 1 310.358 -1.737 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001402280380 924963703 /nfs/dbraw/zinc/96/37/03/924963703.db2.gz CCSNCTLAOCICJI-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001402280380 924963710 /nfs/dbraw/zinc/96/37/10/924963710.db2.gz CCSNCTLAOCICJI-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1)NC1CC1 ZINC001402283011 924963892 /nfs/dbraw/zinc/96/38/92/924963892.db2.gz WAHZJCUQBWNRJC-IUODEOHRSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1)NC1CC1 ZINC001402283011 924963906 /nfs/dbraw/zinc/96/39/06/924963906.db2.gz WAHZJCUQBWNRJC-IUODEOHRSA-N 1 1 311.382 -1.003 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001402281405 924964077 /nfs/dbraw/zinc/96/40/77/924964077.db2.gz GYCDKNFKFVNEKK-XHDPSFHLSA-N 1 1 309.366 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001402280216 924964303 /nfs/dbraw/zinc/96/43/03/924964303.db2.gz TVIQEDHJFRRSLJ-FZMZJTMJSA-N 1 1 316.354 -1.565 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001402289143 924965719 /nfs/dbraw/zinc/96/57/19/924965719.db2.gz ZUIQGPWDAIFLMR-TZMCWYRMSA-N 1 1 312.370 -1.406 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001402285423 924966010 /nfs/dbraw/zinc/96/60/10/924966010.db2.gz ZQIUNRVKJWXBGT-AWEZNQCLSA-N 1 1 324.385 -1.414 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001402288502 924966082 /nfs/dbraw/zinc/96/60/82/924966082.db2.gz IUUNLDCCQCNLGI-QPUJVOFHSA-N 1 1 302.306 -1.893 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001402288502 924966088 /nfs/dbraw/zinc/96/60/88/924966088.db2.gz IUUNLDCCQCNLGI-QPUJVOFHSA-N 1 1 302.306 -1.893 20 0 DAADMO COCC1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402292052 924966460 /nfs/dbraw/zinc/96/64/60/924966460.db2.gz OICYJAHXTQUWRB-NHYWBVRUSA-N 1 1 311.382 -1.146 20 0 DAADMO COCC1(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402292052 924966466 /nfs/dbraw/zinc/96/64/66/924966466.db2.gz OICYJAHXTQUWRB-NHYWBVRUSA-N 1 1 311.382 -1.146 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001402286851 924966562 /nfs/dbraw/zinc/96/65/62/924966562.db2.gz KVTKCCMLTUSOPV-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001402286851 924966569 /nfs/dbraw/zinc/96/65/69/924966569.db2.gz KVTKCCMLTUSOPV-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO CN(C)C(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402288749 924966764 /nfs/dbraw/zinc/96/67/64/924966764.db2.gz LASWCYMOOVYKMG-IUODEOHRSA-N 1 1 312.414 -1.421 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001402289069 924966848 /nfs/dbraw/zinc/96/68/48/924966848.db2.gz JOLUIKIZANAKMH-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001402289069 924966855 /nfs/dbraw/zinc/96/68/55/924966855.db2.gz JOLUIKIZANAKMH-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402301028 924968091 /nfs/dbraw/zinc/96/80/91/924968091.db2.gz WXSKAFXSFMXTGA-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402301028 924968097 /nfs/dbraw/zinc/96/80/97/924968097.db2.gz WXSKAFXSFMXTGA-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001402295362 924968305 /nfs/dbraw/zinc/96/83/05/924968305.db2.gz KNOYADQYADAJTB-ZDUSSCGKSA-N 1 1 311.342 -1.319 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001402295362 924968311 /nfs/dbraw/zinc/96/83/11/924968311.db2.gz KNOYADQYADAJTB-ZDUSSCGKSA-N 1 1 311.342 -1.319 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001402298594 924968923 /nfs/dbraw/zinc/96/89/23/924968923.db2.gz QZYPNRHKPHJJBP-XUJVJEKNSA-N 1 1 313.398 -1.177 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402297838 924969306 /nfs/dbraw/zinc/96/93/06/924969306.db2.gz XPSAVVVVJKHCHR-NHYWBVRUSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402297838 924969311 /nfs/dbraw/zinc/96/93/11/924969311.db2.gz XPSAVVVVJKHCHR-NHYWBVRUSA-N 1 1 323.397 -1.015 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001402297977 924969476 /nfs/dbraw/zinc/96/94/76/924969476.db2.gz STHSSAUQRTWBSC-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001402297977 924969480 /nfs/dbraw/zinc/96/94/80/924969480.db2.gz STHSSAUQRTWBSC-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001402306825 924969919 /nfs/dbraw/zinc/96/99/19/924969919.db2.gz HIONCHVJSAJSLO-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001402308222 924969938 /nfs/dbraw/zinc/96/99/38/924969938.db2.gz GVZPKPRWRLFVBC-ZUZCIYMTSA-N 1 1 322.365 -1.272 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001402303814 924970001 /nfs/dbraw/zinc/97/00/01/924970001.db2.gz WJJGPUUNVXTUQK-SMDDNHRTSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303814 924970014 /nfs/dbraw/zinc/97/00/14/924970014.db2.gz WJJGPUUNVXTUQK-SMDDNHRTSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303814 924970023 /nfs/dbraw/zinc/97/00/23/924970023.db2.gz WJJGPUUNVXTUQK-SMDDNHRTSA-N 1 1 324.385 -1.446 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)nn1 ZINC001402308325 924970318 /nfs/dbraw/zinc/97/03/18/924970318.db2.gz ZLDHGSIZMKQWJE-CYBMUJFWSA-N 1 1 310.358 -1.789 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001402308325 924970324 /nfs/dbraw/zinc/97/03/24/924970324.db2.gz ZLDHGSIZMKQWJE-CYBMUJFWSA-N 1 1 310.358 -1.789 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402309176 924971470 /nfs/dbraw/zinc/97/14/70/924971470.db2.gz DRTHEOGUDJBRAX-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402309176 924971474 /nfs/dbraw/zinc/97/14/74/924971474.db2.gz DRTHEOGUDJBRAX-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001402318335 924972361 /nfs/dbraw/zinc/97/23/61/924972361.db2.gz OSQGIAJBRKBUFH-CQSZACIVSA-N 1 1 312.370 -1.463 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CCNC(=O)C2CC2)C1 ZINC001402315166 924973222 /nfs/dbraw/zinc/97/32/22/924973222.db2.gz GGVSIBFKSXSSJW-ZDUSSCGKSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COCc2cccnc2)C1 ZINC001402325220 924974320 /nfs/dbraw/zinc/97/43/20/924974320.db2.gz ZRNLMKJBFOUTDS-HNNXBMFYSA-N 1 1 322.365 -1.364 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COCc2cccnc2)C1 ZINC001402325220 924974330 /nfs/dbraw/zinc/97/43/30/924974330.db2.gz ZRNLMKJBFOUTDS-HNNXBMFYSA-N 1 1 322.365 -1.364 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001402329352 924977021 /nfs/dbraw/zinc/97/70/21/924977021.db2.gz XCWAHJBILNWSFR-VWYCJHECSA-N 1 1 306.370 -1.079 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402327178 924977127 /nfs/dbraw/zinc/97/71/27/924977127.db2.gz YQWUJLWYBSOXHS-LLVKDONJSA-N 1 1 308.386 -1.428 20 0 DAADMO CC[C@H](C[NH+]1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1)OC ZINC001402333404 924978899 /nfs/dbraw/zinc/97/88/99/924978899.db2.gz NGSIWPLGGNICOG-LLVKDONJSA-N 1 1 324.381 -1.018 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001402338506 924979549 /nfs/dbraw/zinc/97/95/49/924979549.db2.gz MXAXIXFHFWPBPE-UHFFFAOYSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001402338020 924979982 /nfs/dbraw/zinc/97/99/82/924979982.db2.gz SDSCOYVIXZJQDC-IJLUTSLNSA-N 1 1 310.398 -1.622 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001402336611 924980365 /nfs/dbraw/zinc/98/03/65/924980365.db2.gz LSGVXQPIZFGYSY-CYBMUJFWSA-N 1 1 324.425 -1.088 20 0 DAADMO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)[nH]1 ZINC001402339582 924981662 /nfs/dbraw/zinc/98/16/62/924981662.db2.gz OBFWPLVLOJWEBU-NSHDSACASA-N 1 1 309.370 -1.145 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001402347258 924982828 /nfs/dbraw/zinc/98/28/28/924982828.db2.gz MGYPBYAFNRXGKQ-LBPRGKRZSA-N 1 1 312.414 -1.243 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001402347988 924982861 /nfs/dbraw/zinc/98/28/61/924982861.db2.gz DFAATBFFVYRPLC-NSHDSACASA-N 1 1 307.354 -1.757 20 0 DAADMO CO[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001402345126 924983442 /nfs/dbraw/zinc/98/34/42/924983442.db2.gz YSEGZNLOOUCJMN-LBPRGKRZSA-N 1 1 324.385 -1.349 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402350915 924984806 /nfs/dbraw/zinc/98/48/06/924984806.db2.gz DZAFFBYMFYVZPJ-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402350911 924984898 /nfs/dbraw/zinc/98/48/98/924984898.db2.gz DZAFFBYMFYVZPJ-NEPJUHHUSA-N 1 1 312.414 -1.245 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001402354448 924986060 /nfs/dbraw/zinc/98/60/60/924986060.db2.gz KEXQMIGDGLIYSP-JTQLQIEISA-N 1 1 300.359 -2.061 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001402355744 924986149 /nfs/dbraw/zinc/98/61/49/924986149.db2.gz NLQBNGOHPSYMDE-RYUDHWBXSA-N 1 1 311.382 -1.146 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2ncnn2C)C1 ZINC001402358437 924986199 /nfs/dbraw/zinc/98/61/99/924986199.db2.gz XISDEDHXCLHLMY-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(Cc2nnn(C)n2)C1 ZINC001402366110 924989279 /nfs/dbraw/zinc/98/92/79/924989279.db2.gz ALLWFEFCKHXKBC-UHFFFAOYSA-N 1 1 311.390 -1.785 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)CCNC(N)=O)C2CC2)nn1 ZINC001402366519 924990055 /nfs/dbraw/zinc/99/00/55/924990055.db2.gz COSYMPBOBHJRIW-LLVKDONJSA-N 1 1 309.374 -1.142 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001402372423 924991763 /nfs/dbraw/zinc/99/17/63/924991763.db2.gz OAFWVDDRQSBPQA-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001402381513 924991849 /nfs/dbraw/zinc/99/18/49/924991849.db2.gz SUIANPZQKNGAFR-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cc1nc(CN2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001402377913 924992078 /nfs/dbraw/zinc/99/20/78/924992078.db2.gz IRXNHVWKCZTSHJ-UHFFFAOYSA-N 1 1 320.397 -1.128 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cnnn1)C2 ZINC001402395654 924992727 /nfs/dbraw/zinc/99/27/27/924992727.db2.gz BTUWLKNMAJTIRA-JGPRNRPPSA-N 1 1 307.358 -1.482 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001402426466 924994042 /nfs/dbraw/zinc/99/40/42/924994042.db2.gz YMNLYGXCSXXFAK-PHIMTYICSA-N 1 1 311.386 -1.477 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)N(C)C ZINC001402420000 924994349 /nfs/dbraw/zinc/99/43/49/924994349.db2.gz MTTFRIOZFVOQED-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)N(C)C ZINC001402420000 924994358 /nfs/dbraw/zinc/99/43/58/924994358.db2.gz MTTFRIOZFVOQED-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]2C1 ZINC001402416136 924994983 /nfs/dbraw/zinc/99/49/83/924994983.db2.gz KMXLPANHVJELMJ-RUZUBIRVSA-N 1 1 313.398 -1.092 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001402423765 924995238 /nfs/dbraw/zinc/99/52/38/924995238.db2.gz XYJZKRUYOBXTOD-TXEJJXNPSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2cncn2)C1 ZINC001402448087 924996687 /nfs/dbraw/zinc/99/66/87/924996687.db2.gz GDUAOYDHGICKEI-OCCSQVGLSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001402442732 924997239 /nfs/dbraw/zinc/99/72/39/924997239.db2.gz BOUZFCSERBKDQL-QMMMGPOBSA-N 1 1 324.341 -1.615 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402447368 924997488 /nfs/dbraw/zinc/99/74/88/924997488.db2.gz JHHGZVJOHCPDTO-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001402459337 924998067 /nfs/dbraw/zinc/99/80/67/924998067.db2.gz CJWIKVNQPDEOBR-SECBINFHSA-N 1 1 308.346 -1.282 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402455037 924998162 /nfs/dbraw/zinc/99/81/62/924998162.db2.gz FSYJRMUBRSFFND-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO C[C@@H](CC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1)NC(N)=O ZINC001402453551 924998370 /nfs/dbraw/zinc/99/83/70/924998370.db2.gz QRKJOJPTRIISPW-FZMZJTMJSA-N 1 1 316.402 -1.241 20 0 DAADMO CCOCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001402449291 924999208 /nfs/dbraw/zinc/99/92/08/924999208.db2.gz YFGLBKKVBHHTGB-OCCSQVGLSA-N 1 1 304.387 -1.027 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001402457312 924999216 /nfs/dbraw/zinc/99/92/16/924999216.db2.gz YGYKBDZKOBARRA-RISCZKNCSA-N 1 1 312.370 -1.026 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001402457888 924999431 /nfs/dbraw/zinc/99/94/31/924999431.db2.gz DIXYXNWYUJQGSW-GWCFXTLKSA-N 1 1 312.374 -1.198 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402455043 925000085 /nfs/dbraw/zinc/00/00/85/925000085.db2.gz FSYJRMUBRSFFND-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO C[C@@H](CC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1)NC(N)=O ZINC001402453562 925000108 /nfs/dbraw/zinc/00/01/08/925000108.db2.gz QRKJOJPTRIISPW-SMDDNHRTSA-N 1 1 316.402 -1.241 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001402468478 925000699 /nfs/dbraw/zinc/00/06/99/925000699.db2.gz PUTCZVBOEGASTM-IUODEOHRSA-N 1 1 313.398 -1.067 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001402483793 925004231 /nfs/dbraw/zinc/00/42/31/925004231.db2.gz MCBUJYMAJZBVDL-UTUOFQBUSA-N 1 1 324.385 -1.104 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001402497697 925005760 /nfs/dbraw/zinc/00/57/60/925005760.db2.gz WAOLFDXUPSHQHR-FBIMIBRVSA-N 1 1 309.374 -1.014 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@@H+]1C[C@H]1CCCOC1 ZINC001402522090 925008142 /nfs/dbraw/zinc/00/81/42/925008142.db2.gz YBZRABLRTPJQHP-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@H+]1C[C@H]1CCCOC1 ZINC001402522090 925008149 /nfs/dbraw/zinc/00/81/49/925008149.db2.gz YBZRABLRTPJQHP-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](O)CN1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001402533450 925008489 /nfs/dbraw/zinc/00/84/89/925008489.db2.gz SICSGNNKMVAQRN-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001402525409 925008555 /nfs/dbraw/zinc/00/85/55/925008555.db2.gz XXGROQDTBCPUPP-IWSPIJDZSA-N 1 1 317.371 -1.256 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001402533713 925008983 /nfs/dbraw/zinc/00/89/83/925008983.db2.gz STDCYQJTPFELRN-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001402533713 925008990 /nfs/dbraw/zinc/00/89/90/925008990.db2.gz STDCYQJTPFELRN-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 ZINC001402573723 925013333 /nfs/dbraw/zinc/01/33/33/925013333.db2.gz NVPAUWNKCPEDDB-SNVBAGLBSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001402599931 925015217 /nfs/dbraw/zinc/01/52/17/925015217.db2.gz JHZBFRJQTWIRKD-SECBINFHSA-N 1 1 323.357 -1.406 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402665029 925018760 /nfs/dbraw/zinc/01/87/60/925018760.db2.gz RWYOYHOAMZLJER-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001402641547 925018818 /nfs/dbraw/zinc/01/88/18/925018818.db2.gz HDZNIEPCZYGMFF-UHFFFAOYSA-N 1 1 321.381 -1.011 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCC2)C1 ZINC001402637841 925018881 /nfs/dbraw/zinc/01/88/81/925018881.db2.gz JWAGQIXMNZIEKW-PHIMTYICSA-N 1 1 311.386 -1.225 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CCN1CCOCC1 ZINC001402655003 925019173 /nfs/dbraw/zinc/01/91/73/925019173.db2.gz FDSANJHHUHFVLE-UHFFFAOYSA-N 1 1 300.403 -1.026 20 0 DAADMO COCC(=O)N(C)CCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001402619757 925019588 /nfs/dbraw/zinc/01/95/88/925019588.db2.gz NCCYLLYHQHAERW-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO COCC(=O)N(C)CCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001402619757 925019597 /nfs/dbraw/zinc/01/95/97/925019597.db2.gz NCCYLLYHQHAERW-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001402649053 925020290 /nfs/dbraw/zinc/02/02/90/925020290.db2.gz NFYGPJHRFHFZCB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001402626809 925020391 /nfs/dbraw/zinc/02/03/91/925020391.db2.gz XXGROQDTBCPUPP-HLTSFMKQSA-N 1 1 317.371 -1.256 20 0 DAADMO C[C@H](O)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001402692127 925021463 /nfs/dbraw/zinc/02/14/63/925021463.db2.gz JSPAJLREHTUEMM-NWDGAFQWSA-N 1 1 324.385 -1.206 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001402707547 925023261 /nfs/dbraw/zinc/02/32/61/925023261.db2.gz DDHMOSJNKYPAHG-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)CC[N@@H+]1C ZINC001402718801 925025568 /nfs/dbraw/zinc/02/55/68/925025568.db2.gz NPRSSIDOUJNRBP-JMSVASOKSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)CC[N@H+]1C ZINC001402718801 925025579 /nfs/dbraw/zinc/02/55/79/925025579.db2.gz NPRSSIDOUJNRBP-JMSVASOKSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)CC[N@@H+]1C ZINC001402718817 925026041 /nfs/dbraw/zinc/02/60/41/925026041.db2.gz NPRSSIDOUJNRBP-LALPHHSUSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)CC[N@H+]1C ZINC001402718817 925026050 /nfs/dbraw/zinc/02/60/50/925026050.db2.gz NPRSSIDOUJNRBP-LALPHHSUSA-N 1 1 312.414 -1.245 20 0 DAADMO CNC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001402748488 925027279 /nfs/dbraw/zinc/02/72/79/925027279.db2.gz FPDRWGCWNCJNHF-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001402780113 925029432 /nfs/dbraw/zinc/02/94/32/925029432.db2.gz YEOQNMZYWYFLEM-ZXPJVPCYSA-N 1 1 311.382 -1.482 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789206 925029544 /nfs/dbraw/zinc/02/95/44/925029544.db2.gz BVFQDWHPRFLGHD-GOVZDWNOSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789206 925029551 /nfs/dbraw/zinc/02/95/51/925029551.db2.gz BVFQDWHPRFLGHD-GOVZDWNOSA-N 1 1 310.354 -1.347 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC001402816058 925031106 /nfs/dbraw/zinc/03/11/06/925031106.db2.gz FWTSAPSMXFCKDO-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC001402816054 925031702 /nfs/dbraw/zinc/03/17/02/925031702.db2.gz FWTSAPSMXFCKDO-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccnn2C)CC1 ZINC001402856436 925032887 /nfs/dbraw/zinc/03/28/87/925032887.db2.gz BMCXLNVWFHTJDI-JTQLQIEISA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1CCF ZINC001402837120 925032912 /nfs/dbraw/zinc/03/29/12/925032912.db2.gz CTMZHUMEMKINFY-SECBINFHSA-N 1 1 311.325 -1.471 20 0 DAADMO C[C@@H](CCNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001402855807 925034157 /nfs/dbraw/zinc/03/41/57/925034157.db2.gz BMOBPEPOIUIGOH-VIFPVBQESA-N 1 1 320.357 -1.398 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001402858604 925034740 /nfs/dbraw/zinc/03/47/40/925034740.db2.gz SXIVFUYEPZSWFQ-SECBINFHSA-N 1 1 300.359 -2.061 20 0 DAADMO Cn1cc(C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)cn1 ZINC001402868405 925036332 /nfs/dbraw/zinc/03/63/32/925036332.db2.gz ICZMCUAYKFBMOS-GFCCVEGCSA-N 1 1 321.381 -1.135 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccnn2C)CC1 ZINC001402863959 925036832 /nfs/dbraw/zinc/03/68/32/925036832.db2.gz NIOWAAADRMHVAB-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cccn2)CC1 ZINC001402873555 925037034 /nfs/dbraw/zinc/03/70/34/925037034.db2.gz XKQVJZQBLLDYFL-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)CN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402894665 925037407 /nfs/dbraw/zinc/03/74/07/925037407.db2.gz RHZAYTICYPPPDJ-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001402888968 925037471 /nfs/dbraw/zinc/03/74/71/925037471.db2.gz XIAKTBOVKANSSQ-VIFPVBQESA-N 1 1 313.358 -2.643 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001402883225 925037734 /nfs/dbraw/zinc/03/77/34/925037734.db2.gz ALFNLFHLTLXWTF-UHFFFAOYSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H](C(N)=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402889950 925037868 /nfs/dbraw/zinc/03/78/68/925037868.db2.gz IPVKWNOZWAQEBG-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001402896550 925037969 /nfs/dbraw/zinc/03/79/69/925037969.db2.gz RSPXOLOSNLGGLA-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001402894881 925038699 /nfs/dbraw/zinc/03/86/99/925038699.db2.gz OZUFGKNZEYVHJX-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(N)=O ZINC001402891152 925038921 /nfs/dbraw/zinc/03/89/21/925038921.db2.gz RYRLTCYTGVRBGI-IUODEOHRSA-N 1 1 304.350 -1.020 20 0 DAADMO C[C@@H](C(N)=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402889912 925039505 /nfs/dbraw/zinc/03/95/05/925039505.db2.gz IPVKWNOZWAQEBG-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(N)=O ZINC001402898804 925039836 /nfs/dbraw/zinc/03/98/36/925039836.db2.gz NYBLJLXDHYVNEM-BXUZGUMPSA-N 1 1 319.365 -1.228 20 0 DAADMO C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1nnnn1C ZINC001402926212 925039891 /nfs/dbraw/zinc/03/98/91/925039891.db2.gz WCTNPKXTYLEHEM-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001402904577 925040032 /nfs/dbraw/zinc/04/00/32/925040032.db2.gz HQUGEVHDHQNKFA-SNVBAGLBSA-N 1 1 324.385 -1.733 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001402907070 925040276 /nfs/dbraw/zinc/04/02/76/925040276.db2.gz UERVKBQZGMHNGS-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@H]1C[C@H](NC(=O)COCc2nncn2C)CC[N@@H+]1CC(N)=O ZINC001402903596 925040325 /nfs/dbraw/zinc/04/03/25/925040325.db2.gz DPXRDULFXBFMPM-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H]1C[C@H](NC(=O)COCc2nncn2C)CC[N@H+]1CC(N)=O ZINC001402903596 925040333 /nfs/dbraw/zinc/04/03/33/925040333.db2.gz DPXRDULFXBFMPM-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1CCOCC1=O)c1nncn1C ZINC001402900324 925040411 /nfs/dbraw/zinc/04/04/11/925040411.db2.gz BPXNSOZIUCPEHK-WDEREUQCSA-N 1 1 324.385 -1.171 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001402903372 925040578 /nfs/dbraw/zinc/04/05/78/925040578.db2.gz HFPPREJQLTVNJT-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001402903378 925041058 /nfs/dbraw/zinc/04/10/58/925041058.db2.gz HFPPREJQLTVNJT-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001402928970 925042275 /nfs/dbraw/zinc/04/22/75/925042275.db2.gz FJLJEKSZFSLFIB-SNVBAGLBSA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CCCS(N)(=O)=O ZINC001402942946 925042826 /nfs/dbraw/zinc/04/28/26/925042826.db2.gz XFLLIALDNKOEEX-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001402991989 925044479 /nfs/dbraw/zinc/04/44/79/925044479.db2.gz GVNJBSQWWQKERV-JGVFFNPUSA-N 1 1 320.375 -1.894 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001402983727 925045050 /nfs/dbraw/zinc/04/50/50/925045050.db2.gz XFAKKNLJMFXORU-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001402983727 925045060 /nfs/dbraw/zinc/04/50/60/925045060.db2.gz XFAKKNLJMFXORU-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001402983725 925045724 /nfs/dbraw/zinc/04/57/24/925045724.db2.gz XFAKKNLJMFXORU-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001402983725 925045735 /nfs/dbraw/zinc/04/57/35/925045735.db2.gz XFAKKNLJMFXORU-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001402969981 925045791 /nfs/dbraw/zinc/04/57/91/925045791.db2.gz FWLUXVFUPCVFLQ-RKDXNWHRSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001402971839 925046042 /nfs/dbraw/zinc/04/60/42/925046042.db2.gz ATCBGMVVESMJOV-BXKDBHETSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001402985690 925046132 /nfs/dbraw/zinc/04/61/32/925046132.db2.gz FTJWRIWEBJDRSL-SCZZXKLOSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001403016678 925046448 /nfs/dbraw/zinc/04/64/48/925046448.db2.gz GCBHKLSIUQYMOQ-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2ncccn2)c(=O)n1C ZINC001403076850 925048837 /nfs/dbraw/zinc/04/88/37/925048837.db2.gz BJSZERDQZXDFJV-JTQLQIEISA-N 1 1 319.369 -1.025 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001403064148 925049103 /nfs/dbraw/zinc/04/91/03/925049103.db2.gz YGFGWIXQFWDEHX-DTWKUNHWSA-N 1 1 310.358 -1.109 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001403049617 925049467 /nfs/dbraw/zinc/04/94/67/925049467.db2.gz FPCRFXZUEIXUFI-JGVFFNPUSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001403078014 925050803 /nfs/dbraw/zinc/05/08/03/925050803.db2.gz FJEUYOMLEJZGTD-VIFPVBQESA-N 1 1 318.403 -1.667 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2nccn2C)c(=O)n1C ZINC001403088642 925051127 /nfs/dbraw/zinc/05/11/27/925051127.db2.gz PFVJETJDGOUCQO-SNVBAGLBSA-N 1 1 321.385 -1.082 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cncnc1 ZINC001403109656 925051546 /nfs/dbraw/zinc/05/15/46/925051546.db2.gz CBMOPROWJAFCSV-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cncnc1 ZINC001403109656 925051553 /nfs/dbraw/zinc/05/15/53/925051553.db2.gz CBMOPROWJAFCSV-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001403093961 925052485 /nfs/dbraw/zinc/05/24/85/925052485.db2.gz DVGHTUMUHOSVQI-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403133953 925054583 /nfs/dbraw/zinc/05/45/83/925054583.db2.gz IIWGLBSPDULBAB-SSDOTTSWSA-N 1 1 304.376 -1.743 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001403133545 925054694 /nfs/dbraw/zinc/05/46/94/925054694.db2.gz YPGYIFWIDQBREX-MWLCHTKSSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001403133545 925054703 /nfs/dbraw/zinc/05/47/03/925054703.db2.gz YPGYIFWIDQBREX-MWLCHTKSSA-N 1 1 308.400 -1.525 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001403141734 925055167 /nfs/dbraw/zinc/05/51/67/925055167.db2.gz LPTYCKMCLGZNDN-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001403143882 925055252 /nfs/dbraw/zinc/05/52/52/925055252.db2.gz SOZNVYZPKHLSRB-GHMZBOCLSA-N 1 1 312.370 -1.636 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001403173577 925056473 /nfs/dbraw/zinc/05/64/73/925056473.db2.gz QHOMQXGGWAXCJW-SECBINFHSA-N 1 1 310.362 -1.715 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001403155419 925056921 /nfs/dbraw/zinc/05/69/21/925056921.db2.gz DRRYXWNSXGPMTE-RYUDHWBXSA-N 1 1 316.402 -2.138 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001403174041 925057215 /nfs/dbraw/zinc/05/72/15/925057215.db2.gz GPNLBGZPWQQHHX-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001403174041 925057226 /nfs/dbraw/zinc/05/72/26/925057226.db2.gz GPNLBGZPWQQHHX-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@H+](C)CCF ZINC001403199889 925058644 /nfs/dbraw/zinc/05/86/44/925058644.db2.gz UPPJMQNKQBEBLH-VHSXEESVSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@@H+](C)CCF ZINC001403199889 925058653 /nfs/dbraw/zinc/05/86/53/925058653.db2.gz UPPJMQNKQBEBLH-VHSXEESVSA-N 1 1 315.353 -1.416 20 0 DAADMO COC[C@H](O)CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001403199331 925058786 /nfs/dbraw/zinc/05/87/86/925058786.db2.gz KOVFSNKVWLCGIB-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[N@@H+](C)CCN1CCNC1=O ZINC001403184847 925058822 /nfs/dbraw/zinc/05/88/22/925058822.db2.gz WWYDFLXKZYRTON-JTQLQIEISA-N 1 1 322.369 -1.155 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001403196748 925059477 /nfs/dbraw/zinc/05/94/77/925059477.db2.gz XMXRVOQGSCVPBU-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001403196748 925059485 /nfs/dbraw/zinc/05/94/85/925059485.db2.gz XMXRVOQGSCVPBU-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CNC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N@H+](C)CC(N)=O ZINC001403196104 925060052 /nfs/dbraw/zinc/06/00/52/925060052.db2.gz KINUBDYPGTUXNP-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CNC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N@@H+](C)CC(N)=O ZINC001403196104 925060061 /nfs/dbraw/zinc/06/00/61/925060061.db2.gz KINUBDYPGTUXNP-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CNC(=O)c1cn(C[C@H]2CCOC2)nn1)[N@H+](C)CC(N)=O ZINC001403196090 925060163 /nfs/dbraw/zinc/06/01/63/925060163.db2.gz KINUBDYPGTUXNP-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CNC(=O)c1cn(C[C@H]2CCOC2)nn1)[N@@H+](C)CC(N)=O ZINC001403196090 925060172 /nfs/dbraw/zinc/06/01/72/925060172.db2.gz KINUBDYPGTUXNP-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001403191089 925060415 /nfs/dbraw/zinc/06/04/15/925060415.db2.gz LPWHPEOFJODLGO-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001403191089 925060420 /nfs/dbraw/zinc/06/04/20/925060420.db2.gz LPWHPEOFJODLGO-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc2ncccn2n1 ZINC001403206520 925061070 /nfs/dbraw/zinc/06/10/70/925061070.db2.gz SPNBGOHJSUCGAB-VHSXEESVSA-N 1 1 319.369 -1.023 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1nc2ncccn2n1 ZINC001403206520 925061076 /nfs/dbraw/zinc/06/10/76/925061076.db2.gz SPNBGOHJSUCGAB-VHSXEESVSA-N 1 1 319.369 -1.023 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001403218561 925063915 /nfs/dbraw/zinc/06/39/15/925063915.db2.gz KRGZPQCPVIFUDU-IJLUTSLNSA-N 1 1 312.414 -1.247 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403226880 925064254 /nfs/dbraw/zinc/06/42/54/925064254.db2.gz VKUQHLHMKNCQEE-TUAOUCFPSA-N 1 1 316.402 -1.027 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCC(=O)N1 ZINC001403246947 925066839 /nfs/dbraw/zinc/06/68/39/925066839.db2.gz SSMUNLIWUATEOK-RYUDHWBXSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CCC(=O)N1 ZINC001403246945 925067109 /nfs/dbraw/zinc/06/71/09/925067109.db2.gz SSMUNLIWUATEOK-NEPJUHHUSA-N 1 1 311.382 -1.146 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001403250922 925067936 /nfs/dbraw/zinc/06/79/36/925067936.db2.gz VGKILUWRRPOZRN-VIFPVBQESA-N 1 1 323.357 -1.380 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001403296027 925068813 /nfs/dbraw/zinc/06/88/13/925068813.db2.gz CIARRJARUPVMGS-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001403262395 925068857 /nfs/dbraw/zinc/06/88/57/925068857.db2.gz BGZQDBPZBLETEG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001403262395 925068861 /nfs/dbraw/zinc/06/88/61/925068861.db2.gz BGZQDBPZBLETEG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001403314086 925069569 /nfs/dbraw/zinc/06/95/69/925069569.db2.gz GTQGTVGEXNXBIZ-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403310693 925070677 /nfs/dbraw/zinc/07/06/77/925070677.db2.gz YORTXSGFSMABGQ-ZJUUUORDSA-N 1 1 314.386 -1.599 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001403318556 925071303 /nfs/dbraw/zinc/07/13/03/925071303.db2.gz FSGSUJXEEXJBIL-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001403336143 925071586 /nfs/dbraw/zinc/07/15/86/925071586.db2.gz RDXQOFIFEKSRLO-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001403336143 925071598 /nfs/dbraw/zinc/07/15/98/925071598.db2.gz RDXQOFIFEKSRLO-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001403353339 925072855 /nfs/dbraw/zinc/07/28/55/925072855.db2.gz CEPLCOUASDTHNY-LLVKDONJSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)CC1(C)C ZINC001403373165 925073623 /nfs/dbraw/zinc/07/36/23/925073623.db2.gz ZLNGBKWCHKEXNM-GHMZBOCLSA-N 1 1 316.402 -1.251 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001403370829 925074310 /nfs/dbraw/zinc/07/43/10/925074310.db2.gz NRVPRZDANMMLDJ-XDQVBPFNSA-N 1 1 313.398 -1.234 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001403368427 925074814 /nfs/dbraw/zinc/07/48/14/925074814.db2.gz AAAHQLIXYSTZRG-FIQHERPVSA-N 1 1 314.386 -1.783 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001403393265 925076409 /nfs/dbraw/zinc/07/64/09/925076409.db2.gz LSEZPLXEHZOYLA-KKOKHZNYSA-N 1 1 319.427 -1.270 20 0 DAADMO C[C@H](CCNC(=O)[C@@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001403462933 925078192 /nfs/dbraw/zinc/07/81/92/925078192.db2.gz GJRAZTIEAQUGHD-NWDGAFQWSA-N 1 1 300.403 -1.076 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001403485059 925078520 /nfs/dbraw/zinc/07/85/20/925078520.db2.gz HPDIPDBNYSOWBE-JTQLQIEISA-N 1 1 307.416 -1.149 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001403485059 925078528 /nfs/dbraw/zinc/07/85/28/925078528.db2.gz HPDIPDBNYSOWBE-JTQLQIEISA-N 1 1 307.416 -1.149 20 0 DAADMO CCNC(=O)C[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001403465627 925078958 /nfs/dbraw/zinc/07/89/58/925078958.db2.gz BFCYWSUNZVNZBR-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@H]1CCc2ncnn21 ZINC001403493166 925079318 /nfs/dbraw/zinc/07/93/18/925079318.db2.gz JJDCBIYNRGECHE-SNVBAGLBSA-N 1 1 305.346 -1.500 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001403454810 925079885 /nfs/dbraw/zinc/07/98/85/925079885.db2.gz YGPNKMHVQRTDBE-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001403529750 925080835 /nfs/dbraw/zinc/08/08/35/925080835.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001403529750 925080842 /nfs/dbraw/zinc/08/08/42/925080842.db2.gz HTLKSSYGARWFIC-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001403509848 925080999 /nfs/dbraw/zinc/08/09/99/925080999.db2.gz NJHAOPUNQCSYGB-BDAKNGLRSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001403509848 925081004 /nfs/dbraw/zinc/08/10/04/925081004.db2.gz NJHAOPUNQCSYGB-BDAKNGLRSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403504593 925081025 /nfs/dbraw/zinc/08/10/25/925081025.db2.gz ATEMJZUANFKGMR-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403504593 925081031 /nfs/dbraw/zinc/08/10/31/925081031.db2.gz ATEMJZUANFKGMR-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001403505375 925081335 /nfs/dbraw/zinc/08/13/35/925081335.db2.gz CAOOIXPEVDYUTH-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001403505375 925081345 /nfs/dbraw/zinc/08/13/45/925081345.db2.gz CAOOIXPEVDYUTH-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403504590 925082196 /nfs/dbraw/zinc/08/21/96/925082196.db2.gz ATEMJZUANFKGMR-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403504590 925082205 /nfs/dbraw/zinc/08/22/05/925082205.db2.gz ATEMJZUANFKGMR-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001403564592 925082889 /nfs/dbraw/zinc/08/28/89/925082889.db2.gz KOTQADGKIBDDKG-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)nn1 ZINC001403559108 925084146 /nfs/dbraw/zinc/08/41/46/925084146.db2.gz KHFAOJNOBUYZRT-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)nn1 ZINC001403559108 925084155 /nfs/dbraw/zinc/08/41/55/925084155.db2.gz KHFAOJNOBUYZRT-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1cncn1 ZINC001403540614 925084436 /nfs/dbraw/zinc/08/44/36/925084436.db2.gz PZWFFESTXUXKCM-SNVBAGLBSA-N 1 1 318.403 -1.564 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1cncn1 ZINC001403540614 925084446 /nfs/dbraw/zinc/08/44/46/925084446.db2.gz PZWFFESTXUXKCM-SNVBAGLBSA-N 1 1 318.403 -1.564 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)CCNS(C)(=O)=O ZINC001403567428 925085308 /nfs/dbraw/zinc/08/53/08/925085308.db2.gz HUEMJXJWMAPGHH-UHFFFAOYSA-N 1 1 305.364 -2.730 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)CCNS(C)(=O)=O ZINC001403567428 925085298 /nfs/dbraw/zinc/08/52/98/925085298.db2.gz HUEMJXJWMAPGHH-UHFFFAOYSA-N 1 1 305.364 -2.730 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001403570394 925085451 /nfs/dbraw/zinc/08/54/51/925085451.db2.gz VCEGWDQOLQYRGS-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001403570394 925085460 /nfs/dbraw/zinc/08/54/60/925085460.db2.gz VCEGWDQOLQYRGS-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)CCNS(C)(=O)=O)cn1 ZINC001403571304 925085507 /nfs/dbraw/zinc/08/55/07/925085507.db2.gz ZCLXLHUWKLNFGE-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O)cn1 ZINC001403571304 925085513 /nfs/dbraw/zinc/08/55/13/925085513.db2.gz ZCLXLHUWKLNFGE-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001403587841 925086359 /nfs/dbraw/zinc/08/63/59/925086359.db2.gz QTHREOKEKOJPQD-SNVBAGLBSA-N 1 1 323.401 -1.519 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403574433 925086441 /nfs/dbraw/zinc/08/64/41/925086441.db2.gz ZHIANMIHSYKZJM-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403574433 925086449 /nfs/dbraw/zinc/08/64/49/925086449.db2.gz ZHIANMIHSYKZJM-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403573045 925087184 /nfs/dbraw/zinc/08/71/84/925087184.db2.gz VIQPGGPXOKSWAA-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403573045 925087192 /nfs/dbraw/zinc/08/71/92/925087192.db2.gz VIQPGGPXOKSWAA-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001403600364 925089634 /nfs/dbraw/zinc/08/96/34/925089634.db2.gz ZSSKORCUYDGBFU-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403622900 925092139 /nfs/dbraw/zinc/09/21/39/925092139.db2.gz GALNPXUSAOTIHM-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403622900 925092145 /nfs/dbraw/zinc/09/21/45/925092145.db2.gz GALNPXUSAOTIHM-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001403645654 925092714 /nfs/dbraw/zinc/09/27/14/925092714.db2.gz RBXNRYLQDUBMST-QMMMGPOBSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001403645654 925092718 /nfs/dbraw/zinc/09/27/18/925092718.db2.gz RBXNRYLQDUBMST-QMMMGPOBSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001403645650 925093932 /nfs/dbraw/zinc/09/39/32/925093932.db2.gz RBXNRYLQDUBMST-MRVPVSSYSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001403645650 925093939 /nfs/dbraw/zinc/09/39/39/925093939.db2.gz RBXNRYLQDUBMST-MRVPVSSYSA-N 1 1 311.346 -1.381 20 0 DAADMO CCn1ncnc1CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644371 925094578 /nfs/dbraw/zinc/09/45/78/925094578.db2.gz GFSKBSNPEGVWHS-NWDGAFQWSA-N 1 1 310.402 -1.041 20 0 DAADMO Cn1ccc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001403650215 925096215 /nfs/dbraw/zinc/09/62/15/925096215.db2.gz DOCUSVTVDZNNGD-CHWSQXEVSA-N 1 1 311.386 -1.683 20 0 DAADMO Cn1ccc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001403650215 925096224 /nfs/dbraw/zinc/09/62/24/925096224.db2.gz DOCUSVTVDZNNGD-CHWSQXEVSA-N 1 1 311.386 -1.683 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)c1C ZINC001403648107 925096553 /nfs/dbraw/zinc/09/65/53/925096553.db2.gz VLAWYAVOUAYTMY-SNVBAGLBSA-N 1 1 309.370 -1.067 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)c1C ZINC001403648107 925096562 /nfs/dbraw/zinc/09/65/62/925096562.db2.gz VLAWYAVOUAYTMY-SNVBAGLBSA-N 1 1 309.370 -1.067 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001403651355 925099027 /nfs/dbraw/zinc/09/90/27/925099027.db2.gz QRRQRKSAMJYMJL-SECBINFHSA-N 1 1 313.383 -1.273 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001403650861 925099523 /nfs/dbraw/zinc/09/95/23/925099523.db2.gz LRZUCQQEVBGXRS-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O)n1 ZINC001403654088 925100243 /nfs/dbraw/zinc/10/02/43/925100243.db2.gz QHRHDMKWUHDESY-GXFFZTMASA-N 1 1 311.386 -1.006 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)CN2CCOCC2)o1 ZINC001403654612 925100726 /nfs/dbraw/zinc/10/07/26/925100726.db2.gz KZFBGEKSZDBBMO-LBPRGKRZSA-N 1 1 312.370 -1.118 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1)[C@H]1COC(=O)N1 ZINC001403656489 925101185 /nfs/dbraw/zinc/10/11/85/925101185.db2.gz CQHRCTUJPUFEAZ-WDEREUQCSA-N 1 1 312.301 -1.104 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CN2CCOCC2)ncn1 ZINC001403654940 925101237 /nfs/dbraw/zinc/10/12/37/925101237.db2.gz LBWKLYPFKMEDRX-AWEZNQCLSA-N 1 1 323.397 -1.316 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)n1cncn1 ZINC001403659846 925102242 /nfs/dbraw/zinc/10/22/42/925102242.db2.gz OLOVQEMPERUKJK-ZYHUDNBSSA-N 1 1 307.358 -1.161 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)CNC(=O)OC ZINC001403658916 925102807 /nfs/dbraw/zinc/10/28/07/925102807.db2.gz WUHYHODISLBAIV-VIFPVBQESA-N 1 1 314.346 -1.779 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cc(=O)n(C)cn2)on1 ZINC001403658437 925103214 /nfs/dbraw/zinc/10/32/14/925103214.db2.gz CIZWPDVYODDICJ-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)C1=O ZINC001403665005 925105977 /nfs/dbraw/zinc/10/59/77/925105977.db2.gz KFVGGXURJHQLSJ-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403667167 925106070 /nfs/dbraw/zinc/10/60/70/925106070.db2.gz JPEZALIIAQDMRZ-LLVKDONJSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001403666292 925106161 /nfs/dbraw/zinc/10/61/61/925106161.db2.gz JCGWDPRXVPSPNT-NSHDSACASA-N 1 1 323.357 -2.418 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001403668214 925108291 /nfs/dbraw/zinc/10/82/91/925108291.db2.gz JOSPHOGSOOOBSK-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001403670157 925108313 /nfs/dbraw/zinc/10/83/13/925108313.db2.gz WVCVXPGWTPXQKH-AWEZNQCLSA-N 1 1 308.382 -1.020 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001403670443 925108363 /nfs/dbraw/zinc/10/83/63/925108363.db2.gz KNDCUKOSGXURGF-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001403669583 925108489 /nfs/dbraw/zinc/10/84/89/925108489.db2.gz DAUPGYQYVLBNHY-VXGBXAGGSA-N 1 1 322.365 -1.065 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H]1CCCOC1 ZINC001403667802 925108913 /nfs/dbraw/zinc/10/89/13/925108913.db2.gz WIIYNFXLYNOHHA-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)ncn1 ZINC001403667501 925109254 /nfs/dbraw/zinc/10/92/54/925109254.db2.gz YAHOCVRAIZIEPN-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001403674666 925110110 /nfs/dbraw/zinc/11/01/10/925110110.db2.gz NDKTYNCYFHCVJX-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001403674666 925110119 /nfs/dbraw/zinc/11/01/19/925110119.db2.gz NDKTYNCYFHCVJX-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001403670478 925110259 /nfs/dbraw/zinc/11/02/59/925110259.db2.gz KNDCUKOSGXURGF-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001403672543 925110559 /nfs/dbraw/zinc/11/05/59/925110559.db2.gz PHOBWKJOSYRXJT-LLVKDONJSA-N 1 1 321.385 -1.090 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403675799 925111990 /nfs/dbraw/zinc/11/19/90/925111990.db2.gz UFMMBBDNSVEPRJ-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403675799 925111996 /nfs/dbraw/zinc/11/19/96/925111996.db2.gz UFMMBBDNSVEPRJ-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403675793 925113071 /nfs/dbraw/zinc/11/30/71/925113071.db2.gz UFMMBBDNSVEPRJ-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403675793 925113078 /nfs/dbraw/zinc/11/30/78/925113078.db2.gz UFMMBBDNSVEPRJ-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCCNC1=O ZINC001403674824 925113101 /nfs/dbraw/zinc/11/31/01/925113101.db2.gz ORHRFDSRMDCRCT-LLVKDONJSA-N 1 1 324.385 -1.598 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001403678963 925113983 /nfs/dbraw/zinc/11/39/83/925113983.db2.gz BZRLAKPFWJVSSD-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001403678963 925113990 /nfs/dbraw/zinc/11/39/90/925113990.db2.gz BZRLAKPFWJVSSD-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)nn1C ZINC001403693345 925118218 /nfs/dbraw/zinc/11/82/18/925118218.db2.gz ABYWSSSBWWVSNP-RYUDHWBXSA-N 1 1 324.385 -1.681 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403694880 925118717 /nfs/dbraw/zinc/11/87/17/925118717.db2.gz DDYBPBZEXKEQLF-MXWKQRLJSA-N 1 1 307.354 -1.527 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403694877 925119029 /nfs/dbraw/zinc/11/90/29/925119029.db2.gz DDYBPBZEXKEQLF-AXFHLTTASA-N 1 1 307.354 -1.527 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]CCO)c1ccn(-c2ccncc2)n1 ZINC001403692580 925119294 /nfs/dbraw/zinc/11/92/94/925119294.db2.gz SLYKZHZHUGWYKX-NSHDSACASA-N 1 1 305.338 -1.060 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001403699639 925120650 /nfs/dbraw/zinc/12/06/50/925120650.db2.gz HIDODYJFGYKAHZ-CIQGVGRVSA-N 1 1 322.365 -1.056 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001403705657 925122660 /nfs/dbraw/zinc/12/26/60/925122660.db2.gz ORTGVMRTHAZHGK-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001403705657 925122663 /nfs/dbraw/zinc/12/26/63/925122663.db2.gz ORTGVMRTHAZHGK-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001403702187 925123080 /nfs/dbraw/zinc/12/30/80/925123080.db2.gz SRWSNDZWZPTREI-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403702187 925123081 /nfs/dbraw/zinc/12/30/81/925123081.db2.gz SRWSNDZWZPTREI-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CC[C@H](F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403707933 925123944 /nfs/dbraw/zinc/12/39/44/925123944.db2.gz UTEQPFPAIDMVHZ-UWVGGRQHSA-N 1 1 318.349 -2.240 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001403707328 925124070 /nfs/dbraw/zinc/12/40/70/925124070.db2.gz VGRAXKYBMHWSAG-BDAKNGLRSA-N 1 1 303.363 -2.412 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)[NH+](C)C ZINC001403710339 925124088 /nfs/dbraw/zinc/12/40/88/925124088.db2.gz AJYICNFGTWGHBX-AAEUAGOBSA-N 1 1 302.419 -1.273 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001403707965 925124194 /nfs/dbraw/zinc/12/41/94/925124194.db2.gz UXUVKWIZPMEIOH-ZYHUDNBSSA-N 1 1 322.369 -1.625 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001403707962 925124335 /nfs/dbraw/zinc/12/43/35/925124335.db2.gz UXUVKWIZPMEIOH-JQWIXIFHSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001403713424 925126466 /nfs/dbraw/zinc/12/64/66/925126466.db2.gz CVCSSCCMIAXGCI-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001403713424 925126471 /nfs/dbraw/zinc/12/64/71/925126471.db2.gz CVCSSCCMIAXGCI-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ncccn1 ZINC001403715306 925126715 /nfs/dbraw/zinc/12/67/15/925126715.db2.gz KYEXXLSRTKMRJD-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ncccn1 ZINC001403715306 925126720 /nfs/dbraw/zinc/12/67/20/925126720.db2.gz KYEXXLSRTKMRJD-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001403720383 925128883 /nfs/dbraw/zinc/12/88/83/925128883.db2.gz MTAWNPBBVVHUCY-QWRGUYRKSA-N 1 1 316.402 -1.962 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)C[C@@H]1CCc2ncnn21 ZINC001403718143 925128979 /nfs/dbraw/zinc/12/89/79/925128979.db2.gz SZLGLGKTYUMPFG-NSHDSACASA-N 1 1 319.373 -1.110 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)CC(=O)NC(N)=O ZINC001403724514 925129994 /nfs/dbraw/zinc/12/99/94/925129994.db2.gz ZGSYYSMSSUDOPH-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001403725198 925130041 /nfs/dbraw/zinc/13/00/41/925130041.db2.gz WAXBRDBMCCDEIF-JGVFFNPUSA-N 1 1 301.372 -1.384 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)ncn1 ZINC001403726296 925130184 /nfs/dbraw/zinc/13/01/84/925130184.db2.gz XSMBGYFESHGYPV-CABZTGNLSA-N 1 1 309.370 -1.137 20 0 DAADMO CN1CCC[C@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001403725484 925130234 /nfs/dbraw/zinc/13/02/34/925130234.db2.gz MCJCETDXLBIRDT-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@H+](CCNC(=O)CCn1cnccc1=O)[C@@H]1CCNC1=O ZINC001403723950 925130488 /nfs/dbraw/zinc/13/04/88/925130488.db2.gz YIPYSFIFUXOUDT-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@@H]1CCNC1=O ZINC001403723950 925130496 /nfs/dbraw/zinc/13/04/96/925130496.db2.gz YIPYSFIFUXOUDT-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403727660 925130613 /nfs/dbraw/zinc/13/06/13/925130613.db2.gz BRADVLZFSKNJOU-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001403725206 925131239 /nfs/dbraw/zinc/13/12/39/925131239.db2.gz WAXBRDBMCCDEIF-YUMQZZPRSA-N 1 1 301.372 -1.384 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001403725935 925131482 /nfs/dbraw/zinc/13/14/82/925131482.db2.gz MZZMUSBVDSTZJZ-QWRGUYRKSA-N 1 1 305.342 -1.104 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)CCCO ZINC001403729129 925131996 /nfs/dbraw/zinc/13/19/96/925131996.db2.gz FXBLGUXXKWNMNR-UHFFFAOYSA-N 1 1 300.315 -1.060 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403731928 925132098 /nfs/dbraw/zinc/13/20/98/925132098.db2.gz RCICLEMJHPQSHR-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731928 925132103 /nfs/dbraw/zinc/13/21/03/925132103.db2.gz RCICLEMJHPQSHR-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001403729479 925132237 /nfs/dbraw/zinc/13/22/37/925132237.db2.gz NSVODZODNPUIMG-SECBINFHSA-N 1 1 311.346 -2.561 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ccon2)C1 ZINC001403731255 925132288 /nfs/dbraw/zinc/13/22/88/925132288.db2.gz FNGUCASIEOXDDH-CHWSQXEVSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ccon2)C1 ZINC001403731255 925132294 /nfs/dbraw/zinc/13/22/94/925132294.db2.gz FNGUCASIEOXDDH-CHWSQXEVSA-N 1 1 312.370 -1.038 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001403732446 925132449 /nfs/dbraw/zinc/13/24/49/925132449.db2.gz VLABHJWZAHPHFD-GFCCVEGCSA-N 1 1 307.358 -1.239 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C12CC[NH+](CC1)C2 ZINC001403732762 925132744 /nfs/dbraw/zinc/13/27/44/925132744.db2.gz WDMZAFDSKZBDRV-SECBINFHSA-N 1 1 310.358 -1.827 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001403741220 925135224 /nfs/dbraw/zinc/13/52/24/925135224.db2.gz ILWWZUXBQDXETC-LBPRGKRZSA-N 1 1 313.402 -1.826 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751502 925137014 /nfs/dbraw/zinc/13/70/14/925137014.db2.gz QVYOAYUVSPTTMM-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751502 925137017 /nfs/dbraw/zinc/13/70/17/925137017.db2.gz QVYOAYUVSPTTMM-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001403763712 925138134 /nfs/dbraw/zinc/13/81/34/925138134.db2.gz KVUUUFOTYBUJKH-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001403763712 925138138 /nfs/dbraw/zinc/13/81/38/925138138.db2.gz KVUUUFOTYBUJKH-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@H]12 ZINC001403779363 925140612 /nfs/dbraw/zinc/14/06/12/925140612.db2.gz IVQAQIBTBVSHRN-PKFCDNJMSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001403769727 925141020 /nfs/dbraw/zinc/14/10/20/925141020.db2.gz MQAFLIWZQDQGOT-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001403769727 925141027 /nfs/dbraw/zinc/14/10/27/925141027.db2.gz MQAFLIWZQDQGOT-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001403769732 925141413 /nfs/dbraw/zinc/14/14/13/925141413.db2.gz MQAFLIWZQDQGOT-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001403769732 925141416 /nfs/dbraw/zinc/14/14/16/925141416.db2.gz MQAFLIWZQDQGOT-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c1cnn(C)c1 ZINC001403799482 925142965 /nfs/dbraw/zinc/14/29/65/925142965.db2.gz FXMNTPOHNMAEIF-VIFPVBQESA-N 1 1 310.358 -1.234 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c1cnn(C)c1 ZINC001403799482 925142970 /nfs/dbraw/zinc/14/29/70/925142970.db2.gz FXMNTPOHNMAEIF-VIFPVBQESA-N 1 1 310.358 -1.234 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c1cnn(C)c1 ZINC001403799231 925142982 /nfs/dbraw/zinc/14/29/82/925142982.db2.gz FXMNTPOHNMAEIF-SECBINFHSA-N 1 1 310.358 -1.234 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c1cnn(C)c1 ZINC001403799231 925142988 /nfs/dbraw/zinc/14/29/88/925142988.db2.gz FXMNTPOHNMAEIF-SECBINFHSA-N 1 1 310.358 -1.234 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(N)=O ZINC001403797969 925143145 /nfs/dbraw/zinc/14/31/45/925143145.db2.gz JOEKEXVIEHWAAL-SECBINFHSA-N 1 1 302.331 -1.965 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(N)=O ZINC001403797969 925143151 /nfs/dbraw/zinc/14/31/51/925143151.db2.gz JOEKEXVIEHWAAL-SECBINFHSA-N 1 1 302.331 -1.965 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cnn(C)c1)[C@H](C)C(=O)NC(N)=O ZINC001403816450 925143269 /nfs/dbraw/zinc/14/32/69/925143269.db2.gz HGPIBWQWSXZWGN-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cnn(C)c1)[C@H](C)C(=O)NC(N)=O ZINC001403816450 925143276 /nfs/dbraw/zinc/14/32/76/925143276.db2.gz HGPIBWQWSXZWGN-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001403796643 925143597 /nfs/dbraw/zinc/14/35/97/925143597.db2.gz YADWHQRDPINIMM-JTQLQIEISA-N 1 1 323.357 -2.344 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001403796643 925143605 /nfs/dbraw/zinc/14/36/05/925143605.db2.gz YADWHQRDPINIMM-JTQLQIEISA-N 1 1 323.357 -2.344 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnns1 ZINC001403823207 925145316 /nfs/dbraw/zinc/14/53/16/925145316.db2.gz HTCAOMSFLQNLSD-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cccn1)c1nnnn1C ZINC001403823370 925145883 /nfs/dbraw/zinc/14/58/83/925145883.db2.gz UDVLYQDEYJQFMH-WDEREUQCSA-N 1 1 322.373 -1.423 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403829203 925146742 /nfs/dbraw/zinc/14/67/42/925146742.db2.gz KRJUWYBSOAWHJS-VHSXEESVSA-N 1 1 300.363 -1.599 20 0 DAADMO Cc1ocnc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403829235 925147408 /nfs/dbraw/zinc/14/74/08/925147408.db2.gz KXVUBVRDLZDVHT-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001403831181 925147715 /nfs/dbraw/zinc/14/77/15/925147715.db2.gz LRRRTNWODOLDPI-WPRPVWTQSA-N 1 1 313.362 -2.184 20 0 DAADMO Cc1ocnc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403829243 925148389 /nfs/dbraw/zinc/14/83/89/925148389.db2.gz KXVUBVRDLZDVHT-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403829197 925148445 /nfs/dbraw/zinc/14/84/45/925148445.db2.gz KRJUWYBSOAWHJS-UWVGGRQHSA-N 1 1 300.363 -1.599 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001403837244 925148789 /nfs/dbraw/zinc/14/87/89/925148789.db2.gz OPVNTDWAAILYPQ-MWLCHTKSSA-N 1 1 313.358 -1.107 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001403836598 925149061 /nfs/dbraw/zinc/14/90/61/925149061.db2.gz SHIXCLLPHGMQDY-GZMMTYOYSA-N 1 1 312.374 -1.281 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001403837230 925149174 /nfs/dbraw/zinc/14/91/74/925149174.db2.gz OPVNTDWAAILYPQ-GXSJLCMTSA-N 1 1 313.358 -1.107 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccc(F)cn1 ZINC001403834686 925149363 /nfs/dbraw/zinc/14/93/63/925149363.db2.gz VBGHMQDPFDBXRN-JTQLQIEISA-N 1 1 323.332 -1.033 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001403836604 925149934 /nfs/dbraw/zinc/14/99/34/925149934.db2.gz SHIXCLLPHGMQDY-KCJUWKMLSA-N 1 1 312.374 -1.281 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccc(F)cn1 ZINC001403834693 925150437 /nfs/dbraw/zinc/15/04/37/925150437.db2.gz VBGHMQDPFDBXRN-SNVBAGLBSA-N 1 1 323.332 -1.033 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001403840797 925150893 /nfs/dbraw/zinc/15/08/93/925150893.db2.gz ZOVDTYFZLUTZKE-SECBINFHSA-N 1 1 314.346 -1.622 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1CCNC1=O ZINC001403843667 925151235 /nfs/dbraw/zinc/15/12/35/925151235.db2.gz INILLEGHNNDKQY-KOLCDFICSA-N 1 1 311.342 -1.495 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)N(C)C ZINC001403845965 925151391 /nfs/dbraw/zinc/15/13/91/925151391.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)N(C)C ZINC001403845965 925151398 /nfs/dbraw/zinc/15/13/98/925151398.db2.gz RDDKTLSCHVBTFN-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCCN(C)C1=O ZINC001403851764 925153150 /nfs/dbraw/zinc/15/31/50/925153150.db2.gz NANNGINPOLBTCJ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001403851792 925153170 /nfs/dbraw/zinc/15/31/70/925153170.db2.gz WVNJOKNVGWIQMT-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001403851785 925153182 /nfs/dbraw/zinc/15/31/82/925153182.db2.gz WVNJOKNVGWIQMT-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001403865564 925157118 /nfs/dbraw/zinc/15/71/18/925157118.db2.gz UTUPABLDZAKVKF-VHSXEESVSA-N 1 1 301.347 -1.857 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccncn1 ZINC001403866214 925157513 /nfs/dbraw/zinc/15/75/13/925157513.db2.gz IONNPLUJKSLGJZ-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001403868527 925158152 /nfs/dbraw/zinc/15/81/52/925158152.db2.gz XLVXECCSCMCBMK-DTWKUNHWSA-N 1 1 323.361 -1.580 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001403860793 925158662 /nfs/dbraw/zinc/15/86/62/925158662.db2.gz PHLJNTCLWKTBGB-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cccnn1 ZINC001403863867 925158809 /nfs/dbraw/zinc/15/88/09/925158809.db2.gz GMTZMAQVTGVVKU-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1cnn(C)c1 ZINC001403874871 925159590 /nfs/dbraw/zinc/15/95/90/925159590.db2.gz VVDCZMMJQIEZCX-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1cnn(C)c1 ZINC001403874871 925159595 /nfs/dbraw/zinc/15/95/95/925159595.db2.gz VVDCZMMJQIEZCX-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)N1C ZINC001403869689 925160048 /nfs/dbraw/zinc/16/00/48/925160048.db2.gz IZUNAPAIDKADDA-GHMZBOCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccn(C)n1 ZINC001403869906 925160866 /nfs/dbraw/zinc/16/08/66/925160866.db2.gz DDMBEJWBFIUQLW-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403880111 925162410 /nfs/dbraw/zinc/16/24/10/925162410.db2.gz OEHFKWRFXISULU-GHMZBOCLSA-N 1 1 311.390 -1.929 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)nc1 ZINC001403881223 925162636 /nfs/dbraw/zinc/16/26/36/925162636.db2.gz TVEBANJCRZSSGK-GHMZBOCLSA-N 1 1 322.369 -1.625 20 0 DAADMO CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403880118 925162921 /nfs/dbraw/zinc/16/29/21/925162921.db2.gz OEHFKWRFXISULU-MNOVXSKESA-N 1 1 311.390 -1.929 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403877983 925163149 /nfs/dbraw/zinc/16/31/49/925163149.db2.gz KKCFMHNQQURQKT-MNOVXSKESA-N 1 1 300.363 -1.541 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CCNS(C)(=O)=O ZINC001403882244 925163163 /nfs/dbraw/zinc/16/31/63/925163163.db2.gz GEJZLKSDFDKUNK-GDNZZTSVSA-N 1 1 319.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CCNS(C)(=O)=O ZINC001403882244 925163169 /nfs/dbraw/zinc/16/31/69/925163169.db2.gz GEJZLKSDFDKUNK-GDNZZTSVSA-N 1 1 319.427 -1.134 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001403887880 925164096 /nfs/dbraw/zinc/16/40/96/925164096.db2.gz NVPOFGDLZPGLRM-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001403891737 925165046 /nfs/dbraw/zinc/16/50/46/925165046.db2.gz GRZXAATYYYYOQU-IUCAKERBSA-N 1 1 304.347 -2.033 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001403891737 925165054 /nfs/dbraw/zinc/16/50/54/925165054.db2.gz GRZXAATYYYYOQU-IUCAKERBSA-N 1 1 304.347 -2.033 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001403887406 925165457 /nfs/dbraw/zinc/16/54/57/925165457.db2.gz BLXSRQWEWQVWNQ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2ccncc12 ZINC001403895642 925165917 /nfs/dbraw/zinc/16/59/17/925165917.db2.gz MRXHBIZFNJCLOW-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2ccncc12 ZINC001403895642 925165927 /nfs/dbraw/zinc/16/59/27/925165927.db2.gz MRXHBIZFNJCLOW-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C)C(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403892894 925166026 /nfs/dbraw/zinc/16/60/26/925166026.db2.gz IIISOCYSHZBWCX-OLZOCXBDSA-N 1 1 314.430 -1.080 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001403896400 925166233 /nfs/dbraw/zinc/16/62/33/925166233.db2.gz BOHXDFBDRZCORK-SNVBAGLBSA-N 1 1 310.358 -1.598 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001403896400 925166239 /nfs/dbraw/zinc/16/62/39/925166239.db2.gz BOHXDFBDRZCORK-SNVBAGLBSA-N 1 1 310.358 -1.598 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001403896818 925167799 /nfs/dbraw/zinc/16/77/99/925167799.db2.gz NXAGZUJCKDOVGB-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001403896818 925167806 /nfs/dbraw/zinc/16/78/06/925167806.db2.gz NXAGZUJCKDOVGB-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001403899422 925167863 /nfs/dbraw/zinc/16/78/63/925167863.db2.gz HLZUSEYGKCCOSG-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO Cc1nocc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403900170 925168007 /nfs/dbraw/zinc/16/80/07/925168007.db2.gz QBJSHGMJVMAEBK-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1nocc1C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403900170 925168014 /nfs/dbraw/zinc/16/80/14/925168014.db2.gz QBJSHGMJVMAEBK-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001403900115 925168322 /nfs/dbraw/zinc/16/83/22/925168322.db2.gz RELGYEOZZJHDNY-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001403900115 925168328 /nfs/dbraw/zinc/16/83/28/925168328.db2.gz RELGYEOZZJHDNY-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001403899578 925168378 /nfs/dbraw/zinc/16/83/78/925168378.db2.gz RLINESJWZYYMRE-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001403897567 925168413 /nfs/dbraw/zinc/16/84/13/925168413.db2.gz LVKVTBQMAOJTDN-OUAUKWLOSA-N 1 1 303.359 -2.237 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403895095 925168496 /nfs/dbraw/zinc/16/84/96/925168496.db2.gz XTUBKIGQMNCJJT-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CC1)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403895101 925168524 /nfs/dbraw/zinc/16/85/24/925168524.db2.gz XTUBKIGQMNCJJT-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403897415 925168551 /nfs/dbraw/zinc/16/85/51/925168551.db2.gz DIOWEHQJXLNJDL-YPMHNXCESA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403906341 925169643 /nfs/dbraw/zinc/16/96/43/925169643.db2.gz MOEFOBJAJJUGOU-MNOVXSKESA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403906341 925169638 /nfs/dbraw/zinc/16/96/38/925169638.db2.gz MOEFOBJAJJUGOU-MNOVXSKESA-N 1 1 311.386 -1.114 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001403900286 925169962 /nfs/dbraw/zinc/16/99/62/925169962.db2.gz HHNBQFSFHNUCLE-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1coc(OC)n1 ZINC001403906644 925170047 /nfs/dbraw/zinc/17/00/47/925170047.db2.gz VBLBBUYDWHPYBO-SECBINFHSA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1coc(OC)n1 ZINC001403906644 925170055 /nfs/dbraw/zinc/17/00/55/925170055.db2.gz VBLBBUYDWHPYBO-SECBINFHSA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905068 925170095 /nfs/dbraw/zinc/17/00/95/925170095.db2.gz DWAZZKBFHBKHHY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905068 925170102 /nfs/dbraw/zinc/17/01/02/925170102.db2.gz DWAZZKBFHBKHHY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CN1CCOCC1=O ZINC001403902164 925170344 /nfs/dbraw/zinc/17/03/44/925170344.db2.gz UCMPOYXCJJWXRM-NSHDSACASA-N 1 1 305.350 -1.434 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CN1CCOCC1=O ZINC001403902164 925170351 /nfs/dbraw/zinc/17/03/51/925170351.db2.gz UCMPOYXCJJWXRM-NSHDSACASA-N 1 1 305.350 -1.434 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403905634 925170758 /nfs/dbraw/zinc/17/07/58/925170758.db2.gz KDFDUYGNSTYJEP-JTQLQIEISA-N 1 1 309.374 -1.451 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403905634 925170770 /nfs/dbraw/zinc/17/07/70/925170770.db2.gz KDFDUYGNSTYJEP-JTQLQIEISA-N 1 1 309.374 -1.451 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001403910169 925170839 /nfs/dbraw/zinc/17/08/39/925170839.db2.gz GTNZZSQHBBUMNZ-LLVKDONJSA-N 1 1 324.385 -1.462 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911131 925171555 /nfs/dbraw/zinc/17/15/55/925171555.db2.gz KGZVOIAABUGEFI-GHMZBOCLSA-N 1 1 312.374 -1.836 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911131 925171558 /nfs/dbraw/zinc/17/15/58/925171558.db2.gz KGZVOIAABUGEFI-GHMZBOCLSA-N 1 1 312.374 -1.836 20 0 DAADMO CC(=O)N1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC1 ZINC001403923742 925172178 /nfs/dbraw/zinc/17/21/78/925172178.db2.gz XPZWEVXTVWFDTH-CQSZACIVSA-N 1 1 315.414 -1.012 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001403919430 925172874 /nfs/dbraw/zinc/17/28/74/925172874.db2.gz SOGYLUXNDRROBY-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915520 925173049 /nfs/dbraw/zinc/17/30/49/925173049.db2.gz HSHRTNWLGRTTSV-JQWIXIFHSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915520 925173054 /nfs/dbraw/zinc/17/30/54/925173054.db2.gz HSHRTNWLGRTTSV-JQWIXIFHSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923443 925173348 /nfs/dbraw/zinc/17/33/48/925173348.db2.gz ZTXHWBRULYAIIU-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923443 925173352 /nfs/dbraw/zinc/17/33/52/925173352.db2.gz ZTXHWBRULYAIIU-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403921119 925173454 /nfs/dbraw/zinc/17/34/54/925173454.db2.gz WZHWKJJWPJEFLG-JTQLQIEISA-N 1 1 312.374 -1.352 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403921119 925173457 /nfs/dbraw/zinc/17/34/57/925173457.db2.gz WZHWKJJWPJEFLG-JTQLQIEISA-N 1 1 312.374 -1.352 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001403924029 925173557 /nfs/dbraw/zinc/17/35/57/925173557.db2.gz YAPJXEIOPIHHLX-ZIAGYGMSSA-N 1 1 317.430 -1.302 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001403924029 925173559 /nfs/dbraw/zinc/17/35/59/925173559.db2.gz YAPJXEIOPIHHLX-ZIAGYGMSSA-N 1 1 317.430 -1.302 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001403912253 925173618 /nfs/dbraw/zinc/17/36/18/925173618.db2.gz ZWRMPQFDVQNXQQ-RYUDHWBXSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001403912253 925173623 /nfs/dbraw/zinc/17/36/23/925173623.db2.gz ZWRMPQFDVQNXQQ-RYUDHWBXSA-N 1 1 322.427 -1.445 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403921121 925173801 /nfs/dbraw/zinc/17/38/01/925173801.db2.gz WZHWKJJWPJEFLG-SNVBAGLBSA-N 1 1 312.374 -1.352 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403921121 925173806 /nfs/dbraw/zinc/17/38/06/925173806.db2.gz WZHWKJJWPJEFLG-SNVBAGLBSA-N 1 1 312.374 -1.352 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CNC(=O)C(C)(C)C ZINC001403922141 925173853 /nfs/dbraw/zinc/17/38/53/925173853.db2.gz WTNBLDZPJSFXDT-SNVBAGLBSA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CNC(=O)C(C)(C)C ZINC001403922141 925173857 /nfs/dbraw/zinc/17/38/57/925173857.db2.gz WTNBLDZPJSFXDT-SNVBAGLBSA-N 1 1 316.402 -1.615 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403911835 925174130 /nfs/dbraw/zinc/17/41/30/925174130.db2.gz QNCBBRNOCNTNJR-RKDXNWHRSA-N 1 1 313.358 -1.338 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403911835 925174132 /nfs/dbraw/zinc/17/41/32/925174132.db2.gz QNCBBRNOCNTNJR-RKDXNWHRSA-N 1 1 313.358 -1.338 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001403974860 925174812 /nfs/dbraw/zinc/17/48/12/925174812.db2.gz CMDXYZCZGNCJQV-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001403974860 925174815 /nfs/dbraw/zinc/17/48/15/925174815.db2.gz CMDXYZCZGNCJQV-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@@H]1CCNC1=O ZINC001403954016 925174865 /nfs/dbraw/zinc/17/48/65/925174865.db2.gz GLVDXARMOYKMRX-ZOWXZIJZSA-N 1 1 311.382 -1.024 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@@H]1CCNC1=O ZINC001403954016 925174870 /nfs/dbraw/zinc/17/48/70/925174870.db2.gz GLVDXARMOYKMRX-ZOWXZIJZSA-N 1 1 311.382 -1.024 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCNC1=O ZINC001403977442 925175168 /nfs/dbraw/zinc/17/51/68/925175168.db2.gz WEWOAPGZQCRZQG-VWYCJHECSA-N 1 1 312.370 -1.939 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCNC1=O ZINC001403977442 925175171 /nfs/dbraw/zinc/17/51/71/925175171.db2.gz WEWOAPGZQCRZQG-VWYCJHECSA-N 1 1 312.370 -1.939 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C[C@@H](C)O ZINC001403962819 925175286 /nfs/dbraw/zinc/17/52/86/925175286.db2.gz JJGUNHSCVVUOQA-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001403929949 925175510 /nfs/dbraw/zinc/17/55/10/925175510.db2.gz VSBOMGSGWJVXQR-NSHDSACASA-N 1 1 324.443 -1.057 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001403929949 925175517 /nfs/dbraw/zinc/17/55/17/925175517.db2.gz VSBOMGSGWJVXQR-NSHDSACASA-N 1 1 324.443 -1.057 20 0 DAADMO CC[N@H+](CCNC(=O)c1nccnc1C(N)=O)[C@@H](C)C(=O)NC ZINC001403943391 925176191 /nfs/dbraw/zinc/17/61/91/925176191.db2.gz MGGJCKSORADUJJ-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@@H](C)C(=O)NC ZINC001403943391 925176198 /nfs/dbraw/zinc/17/61/98/925176198.db2.gz MGGJCKSORADUJJ-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403976612 925176351 /nfs/dbraw/zinc/17/63/51/925176351.db2.gz FNWANUNDKVWYRO-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001403976645 925176421 /nfs/dbraw/zinc/17/64/21/925176421.db2.gz LHOKFMBECANIMO-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CC[N@H+](CCNC(=O)c1nonc1C)CC(=O)NC(=O)NC ZINC001403945877 925176506 /nfs/dbraw/zinc/17/65/06/925176506.db2.gz NVNKPDJCFPKSPP-UHFFFAOYSA-N 1 1 312.330 -1.115 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nonc1C)CC(=O)NC(=O)NC ZINC001403945877 925176513 /nfs/dbraw/zinc/17/65/13/925176513.db2.gz NVNKPDJCFPKSPP-UHFFFAOYSA-N 1 1 312.330 -1.115 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ccccc1=O)CC(=O)NC(N)=O ZINC001403939536 925176578 /nfs/dbraw/zinc/17/65/78/925176578.db2.gz LMYZKFKNMOWNBD-UHFFFAOYSA-N 1 1 323.353 -1.519 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccccc1=O)CC(=O)NC(N)=O ZINC001403939536 925176585 /nfs/dbraw/zinc/17/65/85/925176585.db2.gz LMYZKFKNMOWNBD-UHFFFAOYSA-N 1 1 323.353 -1.519 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC ZINC001403984243 925177207 /nfs/dbraw/zinc/17/72/07/925177207.db2.gz KJALFTOLMJDAQC-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC ZINC001403984243 925177212 /nfs/dbraw/zinc/17/72/12/925177212.db2.gz KJALFTOLMJDAQC-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001403989574 925177332 /nfs/dbraw/zinc/17/73/32/925177332.db2.gz FBCJBFIBWQTOOI-SECBINFHSA-N 1 1 313.358 -1.764 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001403989574 925177335 /nfs/dbraw/zinc/17/73/35/925177335.db2.gz FBCJBFIBWQTOOI-SECBINFHSA-N 1 1 313.358 -1.764 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002492 925177735 /nfs/dbraw/zinc/17/77/35/925177735.db2.gz QRARXDZKYAMNNV-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002492 925177739 /nfs/dbraw/zinc/17/77/39/925177739.db2.gz QRARXDZKYAMNNV-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403984826 925178061 /nfs/dbraw/zinc/17/80/61/925178061.db2.gz BTGBNZIRSVPIFY-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403984826 925178068 /nfs/dbraw/zinc/17/80/68/925178068.db2.gz BTGBNZIRSVPIFY-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404015432 925178532 /nfs/dbraw/zinc/17/85/32/925178532.db2.gz OXCBGPTXRMIURX-ZJUUUORDSA-N 1 1 315.374 -2.493 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404015432 925178541 /nfs/dbraw/zinc/17/85/41/925178541.db2.gz OXCBGPTXRMIURX-ZJUUUORDSA-N 1 1 315.374 -2.493 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001404058570 925179416 /nfs/dbraw/zinc/17/94/16/925179416.db2.gz NBMKLDMAMUMGKW-LBPRGKRZSA-N 1 1 319.427 -1.158 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001404044740 925179668 /nfs/dbraw/zinc/17/96/68/925179668.db2.gz TVFSFISKMXNDFX-JTQLQIEISA-N 1 1 310.358 -1.817 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001404044740 925179674 /nfs/dbraw/zinc/17/96/74/925179674.db2.gz TVFSFISKMXNDFX-JTQLQIEISA-N 1 1 310.358 -1.817 20 0 DAADMO CN(C(=O)CCCC(N)=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001404021629 925180234 /nfs/dbraw/zinc/18/02/34/925180234.db2.gz OAODUABVVUFORO-UHFFFAOYSA-N 1 1 309.374 -1.055 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001404035147 925180425 /nfs/dbraw/zinc/18/04/25/925180425.db2.gz DWXUIUQAAIFPJL-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001404035147 925180433 /nfs/dbraw/zinc/18/04/33/925180433.db2.gz DWXUIUQAAIFPJL-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001404083280 925181581 /nfs/dbraw/zinc/18/15/81/925181581.db2.gz MCDGOKZDOXZLRD-LLVKDONJSA-N 1 1 308.386 -1.068 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001404086456 925181776 /nfs/dbraw/zinc/18/17/76/925181776.db2.gz NSBMLHYFKZIFDE-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001404094163 925181922 /nfs/dbraw/zinc/18/19/22/925181922.db2.gz PGYCNONGABNBBE-SSDOTTSWSA-N 1 1 312.305 -1.205 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001404094163 925181924 /nfs/dbraw/zinc/18/19/24/925181924.db2.gz PGYCNONGABNBBE-SSDOTTSWSA-N 1 1 312.305 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001404090373 925181990 /nfs/dbraw/zinc/18/19/90/925181990.db2.gz SLCQFVHZSHVZOS-VXGBXAGGSA-N 1 1 324.381 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001404103428 925182132 /nfs/dbraw/zinc/18/21/32/925182132.db2.gz KBJGBJDPNAGTTM-DTWKUNHWSA-N 1 1 306.388 -2.153 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001404105307 925182468 /nfs/dbraw/zinc/18/24/68/925182468.db2.gz RBMJHLJZAKQYTG-LLVKDONJSA-N 1 1 322.369 -1.223 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404090009 925183264 /nfs/dbraw/zinc/18/32/64/925183264.db2.gz UAUHDQGTELKKRV-SECBINFHSA-N 1 1 306.388 -2.199 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C(N)=O ZINC001404157221 925184127 /nfs/dbraw/zinc/18/41/27/925184127.db2.gz KVWZNSAUCSRSHG-OUAUKWLOSA-N 1 1 314.386 -1.279 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001404261909 925186203 /nfs/dbraw/zinc/18/62/03/925186203.db2.gz RZASXSIWLNTASD-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001404261909 925186212 /nfs/dbraw/zinc/18/62/12/925186212.db2.gz RZASXSIWLNTASD-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](CCn1cncn1)C1CC1 ZINC001404222157 925186712 /nfs/dbraw/zinc/18/67/12/925186712.db2.gz DQDFHYCYSNCXEY-UHFFFAOYSA-N 1 1 305.346 -1.455 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001404285350 925188713 /nfs/dbraw/zinc/18/87/13/925188713.db2.gz QLSADNZTGNGDMM-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001404285350 925188719 /nfs/dbraw/zinc/18/87/19/925188719.db2.gz QLSADNZTGNGDMM-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325295 925191189 /nfs/dbraw/zinc/19/11/89/925191189.db2.gz OZYUDDBNWGIVNG-ONGXEEELSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325295 925191195 /nfs/dbraw/zinc/19/11/95/925191195.db2.gz OZYUDDBNWGIVNG-ONGXEEELSA-N 1 1 310.358 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001404359607 925193403 /nfs/dbraw/zinc/19/34/03/925193403.db2.gz QFFBQKLHZUUBQN-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CCCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404431237 925196614 /nfs/dbraw/zinc/19/66/14/925196614.db2.gz CJPFIYMIDGPUCH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404431237 925196619 /nfs/dbraw/zinc/19/66/19/925196619.db2.gz CJPFIYMIDGPUCH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001404457381 925197019 /nfs/dbraw/zinc/19/70/19/925197019.db2.gz VKYMMYYRVBJFDW-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404441898 925197246 /nfs/dbraw/zinc/19/72/46/925197246.db2.gz FAUKBLXUPNFWDU-GFCCVEGCSA-N 1 1 319.373 -1.207 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404506965 925200005 /nfs/dbraw/zinc/20/00/05/925200005.db2.gz OODFOIPESOBDEQ-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001404506920 925201035 /nfs/dbraw/zinc/20/10/35/925201035.db2.gz OIUOBGZZVQWSEE-VXGBXAGGSA-N 1 1 316.402 -1.249 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404512850 925201436 /nfs/dbraw/zinc/20/14/36/925201436.db2.gz SXTLAPHOZHEJNL-GFCCVEGCSA-N 1 1 319.373 -1.207 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001404511269 925201499 /nfs/dbraw/zinc/20/14/99/925201499.db2.gz RPDMZRFUGVWDIE-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001404527387 925202609 /nfs/dbraw/zinc/20/26/09/925202609.db2.gz UQQFCKNAYRYOQD-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001404527385 925202653 /nfs/dbraw/zinc/20/26/53/925202653.db2.gz UQQFCKNAYRYOQD-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404514882 925203076 /nfs/dbraw/zinc/20/30/76/925203076.db2.gz VJKZEVKKUTWSBC-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404514882 925203081 /nfs/dbraw/zinc/20/30/81/925203081.db2.gz VJKZEVKKUTWSBC-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001404540926 925203767 /nfs/dbraw/zinc/20/37/67/925203767.db2.gz IRBYQCZCYGZOSX-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[C@@H](C(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001404536832 925204755 /nfs/dbraw/zinc/20/47/55/925204755.db2.gz BPGVBQMRPIZTDV-JTQLQIEISA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@@H](C(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001404536832 925204763 /nfs/dbraw/zinc/20/47/63/925204763.db2.gz BPGVBQMRPIZTDV-JTQLQIEISA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001404590294 925205387 /nfs/dbraw/zinc/20/53/87/925205387.db2.gz NNHZAFIKMGWTJI-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001404601617 925205568 /nfs/dbraw/zinc/20/55/68/925205568.db2.gz XAMQRRLQZLMWDC-VIFPVBQESA-N 1 1 307.354 -1.007 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001404609109 925205805 /nfs/dbraw/zinc/20/58/05/925205805.db2.gz WMKAFDVEYKRUOL-LLVKDONJSA-N 1 1 323.397 -1.136 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCOC)C1 ZINC001404581379 925205875 /nfs/dbraw/zinc/20/58/75/925205875.db2.gz BTCNPCCPEABOOF-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001404616893 925206396 /nfs/dbraw/zinc/20/63/96/925206396.db2.gz PAFYWAGELRWULC-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001404578297 925206754 /nfs/dbraw/zinc/20/67/54/925206754.db2.gz PBWMXKWXBCWWLT-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001404573534 925206906 /nfs/dbraw/zinc/20/69/06/925206906.db2.gz HWWQSJBTEBTXHS-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001404616949 925207253 /nfs/dbraw/zinc/20/72/53/925207253.db2.gz TVUOBQFNUUWSGH-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001404616945 925207348 /nfs/dbraw/zinc/20/73/48/925207348.db2.gz TVUOBQFNUUWSGH-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001404679685 925209469 /nfs/dbraw/zinc/20/94/69/925209469.db2.gz PEQRULCBQNCXRT-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001404668358 925209824 /nfs/dbraw/zinc/20/98/24/925209824.db2.gz AKXBZTQGXQLGTA-VWYCJHECSA-N 1 1 300.359 -1.744 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001404693119 925210167 /nfs/dbraw/zinc/21/01/67/925210167.db2.gz LFAROXKKLCKRJZ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001404693119 925210174 /nfs/dbraw/zinc/21/01/74/925210174.db2.gz LFAROXKKLCKRJZ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001404673950 925210361 /nfs/dbraw/zinc/21/03/61/925210361.db2.gz VDJOEYDQDWJVGH-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001404668351 925210691 /nfs/dbraw/zinc/21/06/91/925210691.db2.gz AKXBZTQGXQLGTA-GMTAPVOTSA-N 1 1 300.359 -1.744 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404712420 925211777 /nfs/dbraw/zinc/21/17/77/925211777.db2.gz YQHZBIXLOBZWGM-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001404760289 925213892 /nfs/dbraw/zinc/21/38/92/925213892.db2.gz QONWRABDSKPNNL-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001404760289 925213897 /nfs/dbraw/zinc/21/38/97/925213897.db2.gz QONWRABDSKPNNL-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001404812331 925217332 /nfs/dbraw/zinc/21/73/32/925217332.db2.gz LORKVYZLHLSJKB-UHFFFAOYSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)NC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001404860751 925220685 /nfs/dbraw/zinc/22/06/85/925220685.db2.gz AAPLYFMWAKWFHV-CYBMUJFWSA-N 1 1 312.414 -1.110 20 0 DAADMO CC(C)NC(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001404860751 925220695 /nfs/dbraw/zinc/22/06/95/925220695.db2.gz AAPLYFMWAKWFHV-CYBMUJFWSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001404875965 925222082 /nfs/dbraw/zinc/22/20/82/925222082.db2.gz NPLDAFVRMJGEFN-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001404875961 925222293 /nfs/dbraw/zinc/22/22/93/925222293.db2.gz NPLDAFVRMJGEFN-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001404898482 925222516 /nfs/dbraw/zinc/22/25/16/925222516.db2.gz KWXRJBIOSBFLQK-IHWYPQMZSA-N 1 1 310.807 -1.159 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001404936436 925225223 /nfs/dbraw/zinc/22/52/23/925225223.db2.gz PIEPHWYRHNARMS-UHFFFAOYSA-N 1 1 304.358 -1.037 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001404957483 925226314 /nfs/dbraw/zinc/22/63/14/925226314.db2.gz FWZWONHNWPVHLA-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001404970094 925226440 /nfs/dbraw/zinc/22/64/40/925226440.db2.gz JBCLOTCJTLOKED-WOPDTQHZSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001404970094 925226448 /nfs/dbraw/zinc/22/64/48/925226448.db2.gz JBCLOTCJTLOKED-WOPDTQHZSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CN(C(C)=O)C1 ZINC001404964220 925227237 /nfs/dbraw/zinc/22/72/37/925227237.db2.gz NKOYCHPIYOPLHP-IHRRRGAJSA-N 1 1 311.382 -1.243 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCNC1=O ZINC001404974467 925228521 /nfs/dbraw/zinc/22/85/21/925228521.db2.gz ROQZRHCJEHIINC-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404995447 925230928 /nfs/dbraw/zinc/23/09/28/925230928.db2.gz NCTWMILWLNGJME-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404995423 925231008 /nfs/dbraw/zinc/23/10/08/925231008.db2.gz NCTWMILWLNGJME-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001405004894 925231312 /nfs/dbraw/zinc/23/13/12/925231312.db2.gz RNNDJFWMGFXEDV-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405012267 925233622 /nfs/dbraw/zinc/23/36/22/925233622.db2.gz LSFKKSAFDOVJIY-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001405041432 925234932 /nfs/dbraw/zinc/23/49/32/925234932.db2.gz SSJLAFFLDNHBRH-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001405052881 925235392 /nfs/dbraw/zinc/23/53/92/925235392.db2.gz HTDYEENIDCAONC-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001405052881 925235400 /nfs/dbraw/zinc/23/54/00/925235400.db2.gz HTDYEENIDCAONC-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1)C(N)=O ZINC001405140127 925241161 /nfs/dbraw/zinc/24/11/61/925241161.db2.gz UDJBMCLRGMWQSC-MNOVXSKESA-N 1 1 302.350 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1)C(N)=O ZINC001405140127 925241168 /nfs/dbraw/zinc/24/11/68/925241168.db2.gz UDJBMCLRGMWQSC-MNOVXSKESA-N 1 1 302.350 -1.131 20 0 DAADMO CN(C(=O)CCn1cncn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405123151 925241239 /nfs/dbraw/zinc/24/12/39/925241239.db2.gz IBXUOQOSWKXKLB-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO CN(C(=O)CCn1cncn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405123151 925241244 /nfs/dbraw/zinc/24/12/44/925241244.db2.gz IBXUOQOSWKXKLB-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO CN(C(=O)CCn1cncn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001405123130 925241315 /nfs/dbraw/zinc/24/13/15/925241315.db2.gz IBXUOQOSWKXKLB-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CN(C(=O)CCn1cncn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001405123130 925241323 /nfs/dbraw/zinc/24/13/23/925241323.db2.gz IBXUOQOSWKXKLB-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126656 925242383 /nfs/dbraw/zinc/24/23/83/925242383.db2.gz LDRFXXNAXXNSMZ-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126656 925242389 /nfs/dbraw/zinc/24/23/89/925242389.db2.gz LDRFXXNAXXNSMZ-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001405174097 925243424 /nfs/dbraw/zinc/24/34/24/925243424.db2.gz NQDAOSULSUBJNH-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001405150045 925243615 /nfs/dbraw/zinc/24/36/15/925243615.db2.gz NCQPANYIHKWMOC-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001405167033 925244610 /nfs/dbraw/zinc/24/46/10/925244610.db2.gz INBZRHZJQKNIAA-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001405167033 925244617 /nfs/dbraw/zinc/24/46/17/925244617.db2.gz INBZRHZJQKNIAA-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001405210582 925251532 /nfs/dbraw/zinc/25/15/32/925251532.db2.gz BIRJAPDYOKZUEZ-VXGBXAGGSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001405212242 925251572 /nfs/dbraw/zinc/25/15/72/925251572.db2.gz WCKIONAMMTVHJK-LLVKDONJSA-N 1 1 315.370 -1.190 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405210900 925251627 /nfs/dbraw/zinc/25/16/27/925251627.db2.gz UPPFCIRSYYKEFY-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405210911 925251655 /nfs/dbraw/zinc/25/16/55/925251655.db2.gz UPPFCIRSYYKEFY-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214575 925253341 /nfs/dbraw/zinc/25/33/41/925253341.db2.gz DOWZTOLIUWOULK-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214575 925253347 /nfs/dbraw/zinc/25/33/47/925253347.db2.gz DOWZTOLIUWOULK-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nnc[nH]1 ZINC001405221619 925255074 /nfs/dbraw/zinc/25/50/74/925255074.db2.gz GQKRHPNDRKNFNU-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221619 925255084 /nfs/dbraw/zinc/25/50/84/925255084.db2.gz GQKRHPNDRKNFNU-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221619 925255090 /nfs/dbraw/zinc/25/50/90/925255090.db2.gz GQKRHPNDRKNFNU-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405222618 925256309 /nfs/dbraw/zinc/25/63/09/925256309.db2.gz ZXDAWKVCZHETLR-MNOVXSKESA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405222618 925256316 /nfs/dbraw/zinc/25/63/16/925256316.db2.gz ZXDAWKVCZHETLR-MNOVXSKESA-N 1 1 316.358 -2.954 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2nccnc2N)C1 ZINC001405225791 925257582 /nfs/dbraw/zinc/25/75/82/925257582.db2.gz BRRDIZOUKZHOPC-ZJUUUORDSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240959 925265096 /nfs/dbraw/zinc/26/50/96/925265096.db2.gz NUFDIHHPCNSFAK-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240959 925265107 /nfs/dbraw/zinc/26/51/07/925265107.db2.gz NUFDIHHPCNSFAK-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnns1 ZINC001405242282 925267155 /nfs/dbraw/zinc/26/71/55/925267155.db2.gz ZIHTXVGATDQKIM-IUCAKERBSA-N 1 1 313.383 -1.161 20 0 DAADMO CC[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001405248928 925268312 /nfs/dbraw/zinc/26/83/12/925268312.db2.gz HPSGXOQADOQOMZ-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001405254607 925270272 /nfs/dbraw/zinc/27/02/72/925270272.db2.gz PROAFKFMUXIHTH-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1ccnn1 ZINC001405257075 925271323 /nfs/dbraw/zinc/27/13/23/925271323.db2.gz KWYZLYRIDRUDDH-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1nnc[nH]1 ZINC001405259363 925271457 /nfs/dbraw/zinc/27/14/57/925271457.db2.gz GPJOAPXRXCCUKH-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259363 925271463 /nfs/dbraw/zinc/27/14/63/925271463.db2.gz GPJOAPXRXCCUKH-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259363 925271470 /nfs/dbraw/zinc/27/14/70/925271470.db2.gz GPJOAPXRXCCUKH-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259363 925271475 /nfs/dbraw/zinc/27/14/75/925271475.db2.gz GPJOAPXRXCCUKH-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259363 925271480 /nfs/dbraw/zinc/27/14/80/925271480.db2.gz GPJOAPXRXCCUKH-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC[C@H](CNC(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001405264061 925273271 /nfs/dbraw/zinc/27/32/71/925273271.db2.gz DBFLZJCYPPKGHM-MRVPVSSYSA-N 1 1 308.346 -1.053 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001405270419 925275189 /nfs/dbraw/zinc/27/51/89/925275189.db2.gz JEGFVOMMEUHLCT-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001405276890 925275825 /nfs/dbraw/zinc/27/58/25/925275825.db2.gz BHUHMSPTNWAWMG-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001405274527 925276005 /nfs/dbraw/zinc/27/60/05/925276005.db2.gz OEGCJMJDBOZXMO-LLVKDONJSA-N 1 1 323.401 -1.769 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405279237 925276020 /nfs/dbraw/zinc/27/60/20/925276020.db2.gz FPKBDVOWOVQTNA-VXGBXAGGSA-N 1 1 310.354 -1.179 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnc(C)[nH]1 ZINC001405274681 925276462 /nfs/dbraw/zinc/27/64/62/925276462.db2.gz OPDDIMQGINBLCY-NSHDSACASA-N 1 1 323.401 -1.471 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cn1cncn1 ZINC001405276636 925276500 /nfs/dbraw/zinc/27/65/00/925276500.db2.gz BFGCDDPQNAFTPT-NSHDSACASA-N 1 1 321.341 -1.923 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001405284174 925277256 /nfs/dbraw/zinc/27/72/56/925277256.db2.gz NCVJDFGIDHSOOL-DTWKUNHWSA-N 1 1 301.347 -2.800 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405285553 925277399 /nfs/dbraw/zinc/27/73/99/925277399.db2.gz OOKORKSWZOSLFQ-NWDGAFQWSA-N 1 1 323.397 -1.492 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CC ZINC001405282561 925277468 /nfs/dbraw/zinc/27/74/68/925277468.db2.gz DIJQUMKZMWUIPL-NXEZZACHSA-N 1 1 309.374 -1.036 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCn2cncn2)C1 ZINC001405282681 925277540 /nfs/dbraw/zinc/27/75/40/925277540.db2.gz KOJDTOFCEVLSKE-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CC ZINC001405282580 925277742 /nfs/dbraw/zinc/27/77/42/925277742.db2.gz DIJQUMKZMWUIPL-VHSXEESVSA-N 1 1 309.374 -1.036 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001405288472 925279391 /nfs/dbraw/zinc/27/93/91/925279391.db2.gz KCANDXNGPYUNKZ-PSASIEDQSA-N 1 1 322.373 -1.326 20 0 DAADMO Cc1c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nnn1C ZINC001405293311 925279939 /nfs/dbraw/zinc/27/99/39/925279939.db2.gz ZJBJKLZKWRNBLR-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001405307594 925284252 /nfs/dbraw/zinc/28/42/52/925284252.db2.gz GGVXVIWRXLNYFZ-SNVBAGLBSA-N 1 1 322.325 -1.210 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001405307593 925284852 /nfs/dbraw/zinc/28/48/52/925284852.db2.gz GGVXVIWRXLNYFZ-JTQLQIEISA-N 1 1 322.325 -1.210 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1nonc1C ZINC001405311026 925284967 /nfs/dbraw/zinc/28/49/67/925284967.db2.gz MJKMMXBXJMOLEB-JTQLQIEISA-N 1 1 322.325 -1.210 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001405311583 925285127 /nfs/dbraw/zinc/28/51/27/925285127.db2.gz BIVSNWWBFNWLRY-LLVKDONJSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001405311589 925285416 /nfs/dbraw/zinc/28/54/16/925285416.db2.gz BIVSNWWBFNWLRY-NSHDSACASA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405312707 925286313 /nfs/dbraw/zinc/28/63/13/925286313.db2.gz WEVDXPPGBHTEEE-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001405320104 925287173 /nfs/dbraw/zinc/28/71/73/925287173.db2.gz FJRYNIROGVBYOP-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320104 925287179 /nfs/dbraw/zinc/28/71/79/925287179.db2.gz FJRYNIROGVBYOP-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320104 925287186 /nfs/dbraw/zinc/28/71/86/925287186.db2.gz FJRYNIROGVBYOP-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2ncc[nH]2)C1 ZINC001405325972 925287845 /nfs/dbraw/zinc/28/78/45/925287845.db2.gz CUKLVNVKDPFJTH-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncc[nH]2)C1 ZINC001405325968 925288073 /nfs/dbraw/zinc/28/80/73/925288073.db2.gz CUKLVNVKDPFJTH-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1cn[nH]n1 ZINC001405323365 925288203 /nfs/dbraw/zinc/28/82/03/925288203.db2.gz HAFRNGGAUOHOJQ-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1c[nH]nn1 ZINC001405323365 925288212 /nfs/dbraw/zinc/28/82/12/925288212.db2.gz HAFRNGGAUOHOJQ-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1c[nH]nn1 ZINC001405323365 925288220 /nfs/dbraw/zinc/28/82/20/925288220.db2.gz HAFRNGGAUOHOJQ-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001405331002 925290538 /nfs/dbraw/zinc/29/05/38/925290538.db2.gz QRAMMPQHSXPIRZ-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001405334839 925290568 /nfs/dbraw/zinc/29/05/68/925290568.db2.gz LRFLZORHFCWSLI-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cn(C)cn1 ZINC001405339209 925292263 /nfs/dbraw/zinc/29/22/63/925292263.db2.gz IOMULPQDBXTCBE-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cn(C)cn1 ZINC001405339203 925292416 /nfs/dbraw/zinc/29/24/16/925292416.db2.gz IOMULPQDBXTCBE-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405342296 925292610 /nfs/dbraw/zinc/29/26/10/925292610.db2.gz KOSFKYPLPPCYFK-YPMHNXCESA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]n2)C1 ZINC001405352442 925295439 /nfs/dbraw/zinc/29/54/39/925295439.db2.gz ZZIFYIGBFPUEQB-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352442 925295446 /nfs/dbraw/zinc/29/54/46/925295446.db2.gz ZZIFYIGBFPUEQB-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352442 925295454 /nfs/dbraw/zinc/29/54/54/925295454.db2.gz ZZIFYIGBFPUEQB-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]n2)C1 ZINC001405352433 925295483 /nfs/dbraw/zinc/29/54/83/925295483.db2.gz ZZIFYIGBFPUEQB-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352433 925295492 /nfs/dbraw/zinc/29/54/92/925295492.db2.gz ZZIFYIGBFPUEQB-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352433 925295501 /nfs/dbraw/zinc/29/55/01/925295501.db2.gz ZZIFYIGBFPUEQB-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnon1 ZINC001405363083 925298392 /nfs/dbraw/zinc/29/83/92/925298392.db2.gz YGARRELABQRVIJ-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)CC)[NH2+]Cc1nnnn1C ZINC001405373929 925299728 /nfs/dbraw/zinc/29/97/28/925299728.db2.gz QYPHZTCFESPXNP-VIFPVBQESA-N 1 1 318.403 -1.371 20 0 DAADMO CC[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001405372676 925300178 /nfs/dbraw/zinc/30/01/78/925300178.db2.gz RDKYVIGYHQSKBQ-SNVBAGLBSA-N 1 1 321.389 -1.044 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001405376265 925301305 /nfs/dbraw/zinc/30/13/05/925301305.db2.gz ZREHUBGDAMPVPH-BDAKNGLRSA-N 1 1 311.346 -2.489 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001405380454 925302339 /nfs/dbraw/zinc/30/23/39/925302339.db2.gz GAZLJYCWKARBHV-NXEZZACHSA-N 1 1 323.353 -2.072 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC001405392764 925305236 /nfs/dbraw/zinc/30/52/36/925305236.db2.gz NBNXTQSRVRYQSD-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001405399187 925306113 /nfs/dbraw/zinc/30/61/13/925306113.db2.gz SMIVOPGEZZSTFM-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001405392896 925306221 /nfs/dbraw/zinc/30/62/21/925306221.db2.gz JKOXYQUZSDFMKP-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399276 925306975 /nfs/dbraw/zinc/30/69/75/925306975.db2.gz XRPAOEFFVLNKBG-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399276 925306984 /nfs/dbraw/zinc/30/69/84/925306984.db2.gz XRPAOEFFVLNKBG-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001405409908 925307534 /nfs/dbraw/zinc/30/75/34/925307534.db2.gz QCYDSQMMXVRTMK-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409908 925307546 /nfs/dbraw/zinc/30/75/46/925307546.db2.gz QCYDSQMMXVRTMK-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409908 925307556 /nfs/dbraw/zinc/30/75/56/925307556.db2.gz QCYDSQMMXVRTMK-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399270 925307731 /nfs/dbraw/zinc/30/77/31/925307731.db2.gz XRPAOEFFVLNKBG-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399270 925307735 /nfs/dbraw/zinc/30/77/35/925307735.db2.gz XRPAOEFFVLNKBG-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001405400266 925307884 /nfs/dbraw/zinc/30/78/84/925307884.db2.gz XDCVMRAIJJMTRY-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001405399749 925308591 /nfs/dbraw/zinc/30/85/91/925308591.db2.gz POTPHSRPBBOYGP-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001405416155 925309428 /nfs/dbraw/zinc/30/94/28/925309428.db2.gz VWPQQZFRGAVGDI-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001405463095 925311738 /nfs/dbraw/zinc/31/17/38/925311738.db2.gz IYCZIXXKFAJOJV-BFVZDQMLSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 ZINC001405499841 925313519 /nfs/dbraw/zinc/31/35/19/925313519.db2.gz IYEBACCPFOJAPD-ZDUSSCGKSA-N 1 1 319.373 -1.055 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405593175 925318278 /nfs/dbraw/zinc/31/82/78/925318278.db2.gz RSVQOXLYHQEOIB-GXSJLCMTSA-N 1 1 311.342 -1.287 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001405599738 925320309 /nfs/dbraw/zinc/32/03/09/925320309.db2.gz QTHBQHUDXHBZMA-LLVKDONJSA-N 1 1 309.374 -1.175 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNC(=O)c1cnon1 ZINC001405596672 925320563 /nfs/dbraw/zinc/32/05/63/925320563.db2.gz HPNVPBOGQWUYIG-SNVBAGLBSA-N 1 1 322.325 -1.176 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1CC[NH+](C)CC1 ZINC001405603087 925320757 /nfs/dbraw/zinc/32/07/57/925320757.db2.gz ARSXPVHRFDDUSQ-NSHDSACASA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001405603087 925320764 /nfs/dbraw/zinc/32/07/64/925320764.db2.gz ARSXPVHRFDDUSQ-NSHDSACASA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(F)F)C(=O)CC[NH+]1CCOCC1 ZINC001405618432 925323619 /nfs/dbraw/zinc/32/36/19/925323619.db2.gz XNRHMFZZYCNPAF-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001405615987 925323918 /nfs/dbraw/zinc/32/39/18/925323918.db2.gz SWLUZNXPLYLJDH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405636833 925326307 /nfs/dbraw/zinc/32/63/07/925326307.db2.gz SATKBCVESWBGFJ-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405636833 925326318 /nfs/dbraw/zinc/32/63/18/925326318.db2.gz SATKBCVESWBGFJ-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405636833 925326327 /nfs/dbraw/zinc/32/63/27/925326327.db2.gz SATKBCVESWBGFJ-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001405656635 925328211 /nfs/dbraw/zinc/32/82/11/925328211.db2.gz HSFNGFISLNDEBF-KOLCDFICSA-N 1 1 312.374 -1.306 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001405660609 925329717 /nfs/dbraw/zinc/32/97/17/925329717.db2.gz AWSZJFKLLUOYSZ-NXEZZACHSA-N 1 1 311.390 -1.033 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)C[NH2+]Cc1cnsn1 ZINC001405736419 925334710 /nfs/dbraw/zinc/33/47/10/925334710.db2.gz JOEOFLDILBSKDW-MRVPVSSYSA-N 1 1 321.428 -1.071 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC2(C[NH+](CCF)C2)CC1 ZINC001405796377 925335027 /nfs/dbraw/zinc/33/50/27/925335027.db2.gz XCEOGMCQGMHSSA-UHFFFAOYSA-N 1 1 322.406 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001405751887 925336538 /nfs/dbraw/zinc/33/65/38/925336538.db2.gz BSTFNCFDQQULFX-SECBINFHSA-N 1 1 323.357 -1.163 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001405830369 925337074 /nfs/dbraw/zinc/33/70/74/925337074.db2.gz URTJEOVSGADPAM-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001405847312 925337513 /nfs/dbraw/zinc/33/75/13/925337513.db2.gz LBRNNMKZYHCEKX-NXEZZACHSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001405847322 925338258 /nfs/dbraw/zinc/33/82/58/925338258.db2.gz LBRNNMKZYHCEKX-UWVGGRQHSA-N 1 1 309.374 -1.225 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001405874881 925338869 /nfs/dbraw/zinc/33/88/69/925338869.db2.gz SIRBJJPKOADIIW-ZJUUUORDSA-N 1 1 309.374 -1.084 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)Cn1cnnn1 ZINC001406066379 925342298 /nfs/dbraw/zinc/34/22/98/925342298.db2.gz MYEYTPFBYOCRBL-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnnn1C ZINC001406053235 925342887 /nfs/dbraw/zinc/34/28/87/925342887.db2.gz ZVKYPIRAAVFBNF-UTLUCORTSA-N 1 1 309.374 -1.438 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)Cn1cccn1 ZINC001406077196 925343113 /nfs/dbraw/zinc/34/31/13/925343113.db2.gz YFOORRUYLVDXML-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)Cn1cccn1 ZINC001406077196 925343117 /nfs/dbraw/zinc/34/31/17/925343117.db2.gz YFOORRUYLVDXML-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001406083211 925343452 /nfs/dbraw/zinc/34/34/52/925343452.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001406083211 925343460 /nfs/dbraw/zinc/34/34/60/925343460.db2.gz JPBMAMGDJIHPTL-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C ZINC001406031137 925343519 /nfs/dbraw/zinc/34/35/19/925343519.db2.gz HAPUIKMJXOOULT-BDAKNGLRSA-N 1 1 310.362 -1.878 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001406047303 925343787 /nfs/dbraw/zinc/34/37/87/925343787.db2.gz UXHKYRCMTRRWPD-WDEREUQCSA-N 1 1 323.401 -1.033 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001406114827 925344290 /nfs/dbraw/zinc/34/42/90/925344290.db2.gz YQXQIVHMYJZMIC-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001406114827 925344300 /nfs/dbraw/zinc/34/43/00/925344300.db2.gz YQXQIVHMYJZMIC-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001406103620 925344522 /nfs/dbraw/zinc/34/45/22/925344522.db2.gz YGXCOZVRTHTLOQ-SNVBAGLBSA-N 1 1 312.374 -1.198 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001406103604 925344874 /nfs/dbraw/zinc/34/48/74/925344874.db2.gz YGXCOZVRTHTLOQ-JTQLQIEISA-N 1 1 312.374 -1.198 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001406094406 925345579 /nfs/dbraw/zinc/34/55/79/925345579.db2.gz FVURQPUAHPVFSG-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001406094406 925345589 /nfs/dbraw/zinc/34/55/89/925345589.db2.gz FVURQPUAHPVFSG-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001406120789 925346294 /nfs/dbraw/zinc/34/62/94/925346294.db2.gz XWYMXLCTSMCPMI-GDNZZTSVSA-N 1 1 319.427 -1.182 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001406120789 925346300 /nfs/dbraw/zinc/34/63/00/925346300.db2.gz XWYMXLCTSMCPMI-GDNZZTSVSA-N 1 1 319.427 -1.182 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406100318 925346381 /nfs/dbraw/zinc/34/63/81/925346381.db2.gz CVYWILAFZXSZRX-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406100318 925346387 /nfs/dbraw/zinc/34/63/87/925346387.db2.gz CVYWILAFZXSZRX-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1CC1 ZINC001406096477 925346488 /nfs/dbraw/zinc/34/64/88/925346488.db2.gz MUCXERWBAXJKJU-LLVKDONJSA-N 1 1 300.359 -1.004 20 0 DAADMO CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1CC1 ZINC001406096477 925346496 /nfs/dbraw/zinc/34/64/96/925346496.db2.gz MUCXERWBAXJKJU-LLVKDONJSA-N 1 1 300.359 -1.004 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001406119358 925346641 /nfs/dbraw/zinc/34/66/41/925346641.db2.gz DALONFLSGWFFNX-UHFFFAOYSA-N 1 1 310.362 -1.761 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001406147280 925347071 /nfs/dbraw/zinc/34/70/71/925347071.db2.gz YFIWWRCUTUZQOO-JTQLQIEISA-N 1 1 310.420 -1.847 20 0 DAADMO Cc1nnsc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406177933 925347741 /nfs/dbraw/zinc/34/77/41/925347741.db2.gz CKFICKMOFJFGEF-SECBINFHSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)on1 ZINC001406180821 925347853 /nfs/dbraw/zinc/34/78/53/925347853.db2.gz HVKAJSAFQHCAOK-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406173534 925347910 /nfs/dbraw/zinc/34/79/10/925347910.db2.gz SWAHOUHFKBICHN-JTQLQIEISA-N 1 1 311.386 -1.009 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406173534 925347920 /nfs/dbraw/zinc/34/79/20/925347920.db2.gz SWAHOUHFKBICHN-JTQLQIEISA-N 1 1 311.386 -1.009 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001406145019 925348389 /nfs/dbraw/zinc/34/83/89/925348389.db2.gz YNMPXXZYRVPHOP-UHFFFAOYSA-N 1 1 319.387 -1.557 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001406132570 925349356 /nfs/dbraw/zinc/34/93/56/925349356.db2.gz UKGWPVSXYXJUAO-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001406132570 925349364 /nfs/dbraw/zinc/34/93/64/925349364.db2.gz UKGWPVSXYXJUAO-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001406188669 925349634 /nfs/dbraw/zinc/34/96/34/925349634.db2.gz IEKDQNGQVWTDQW-NSHDSACASA-N 1 1 324.385 -1.513 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001406184713 925350089 /nfs/dbraw/zinc/35/00/89/925350089.db2.gz CVTFPRVLLZOMJQ-ZYHUDNBSSA-N 1 1 309.370 -1.124 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)nn1 ZINC001406188039 925350575 /nfs/dbraw/zinc/35/05/75/925350575.db2.gz LCTAYAJNMRHIIV-NWDGAFQWSA-N 1 1 313.358 -1.720 20 0 DAADMO COCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001406187308 925350779 /nfs/dbraw/zinc/35/07/79/925350779.db2.gz HBUNJDRHZXYENW-SECBINFHSA-N 1 1 300.363 -1.359 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001406191624 925350819 /nfs/dbraw/zinc/35/08/19/925350819.db2.gz XAPZJCOLWOWRNS-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnccn2)n1 ZINC001406194114 925351031 /nfs/dbraw/zinc/35/10/31/925351031.db2.gz NHZIXPQZEVVKBX-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1ccnn1 ZINC001406198554 925352967 /nfs/dbraw/zinc/35/29/67/925352967.db2.gz BMEZPSCVZDRNGG-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001406202210 925353184 /nfs/dbraw/zinc/35/31/84/925353184.db2.gz FWKOPWLOYFPNNX-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)c2C)n1 ZINC001406199015 925353953 /nfs/dbraw/zinc/35/39/53/925353953.db2.gz BPEFBGAEUNLZCY-NSHDSACASA-N 1 1 322.373 -1.385 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]2CCOC2)nn1 ZINC001406208384 925355478 /nfs/dbraw/zinc/35/54/78/925355478.db2.gz GBXWLDTYPGSXDD-VXGBXAGGSA-N 1 1 313.358 -1.813 20 0 DAADMO Cc1ccn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406208818 925356093 /nfs/dbraw/zinc/35/60/93/925356093.db2.gz KPMYLPHCALDGJU-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001406214779 925357726 /nfs/dbraw/zinc/35/77/26/925357726.db2.gz PWDTYIYMZWLCFD-QWRGUYRKSA-N 1 1 312.374 -1.407 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001406220653 925359274 /nfs/dbraw/zinc/35/92/74/925359274.db2.gz MPNUKLMBESVPKU-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001406222347 925361703 /nfs/dbraw/zinc/36/17/03/925361703.db2.gz OCWANOCOSZEASP-WDEREUQCSA-N 1 1 324.385 -1.077 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001406222339 925361962 /nfs/dbraw/zinc/36/19/62/925361962.db2.gz OCWANOCOSZEASP-MNOVXSKESA-N 1 1 324.385 -1.077 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001406225430 925363088 /nfs/dbraw/zinc/36/30/88/925363088.db2.gz ADWCNRMLSHHUFB-NXEZZACHSA-N 1 1 313.358 -1.141 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001406227415 925364184 /nfs/dbraw/zinc/36/41/84/925364184.db2.gz UFCZAMUMBXLOOC-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC ZINC001406233078 925365911 /nfs/dbraw/zinc/36/59/11/925365911.db2.gz GXFPMILPIPEPTJ-VIFPVBQESA-N 1 1 313.362 -2.206 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC ZINC001406233076 925366447 /nfs/dbraw/zinc/36/64/47/925366447.db2.gz GXFPMILPIPEPTJ-SECBINFHSA-N 1 1 313.362 -2.206 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2CC)n1 ZINC001406228992 925366844 /nfs/dbraw/zinc/36/68/44/925366844.db2.gz VJPOAHUWXMOQGL-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406235477 925367186 /nfs/dbraw/zinc/36/71/86/925367186.db2.gz PGUQPLOFKVUNMR-ONGXEEELSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001406238385 925370438 /nfs/dbraw/zinc/37/04/38/925370438.db2.gz GWODMUVTDKMOEF-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2)N1CCC1 ZINC001406243541 925370722 /nfs/dbraw/zinc/37/07/22/925370722.db2.gz QGDRYTJLYCNARL-SNVBAGLBSA-N 1 1 321.381 -1.189 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CC1=O ZINC001406242956 925371040 /nfs/dbraw/zinc/37/10/40/925371040.db2.gz YACDNFDPDNOJGI-BDAKNGLRSA-N 1 1 313.383 -1.417 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)N1CCOCC1 ZINC001406244485 925373085 /nfs/dbraw/zinc/37/30/85/925373085.db2.gz DOZQGIMUIRRZFB-SECBINFHSA-N 1 1 312.330 -2.656 20 0 DAADMO COc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001406245357 925373204 /nfs/dbraw/zinc/37/32/04/925373204.db2.gz PLSPLYWMHXODIC-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc3n2CCC3)n1 ZINC001406247108 925373355 /nfs/dbraw/zinc/37/33/55/925373355.db2.gz PXJBIGKPZOOFNG-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001406245367 925374165 /nfs/dbraw/zinc/37/41/65/925374165.db2.gz QNMBUIHGNGOSES-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001406247323 925374467 /nfs/dbraw/zinc/37/44/67/925374467.db2.gz OHLPXLCMWLWFJE-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001406247860 925374797 /nfs/dbraw/zinc/37/47/97/925374797.db2.gz QWODOEUTXDFYMQ-HBNTYKKESA-N 1 1 309.370 -1.332 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001406249240 925375846 /nfs/dbraw/zinc/37/58/46/925375846.db2.gz TWUQQJCWAJFQIK-JTQLQIEISA-N 1 1 321.341 -2.211 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001406247843 925375985 /nfs/dbraw/zinc/37/59/85/925375985.db2.gz QWODOEUTXDFYMQ-GMTAPVOTSA-N 1 1 309.370 -1.332 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)no1 ZINC001406251466 925377405 /nfs/dbraw/zinc/37/74/05/925377405.db2.gz GOTCHIREZQCSQB-GHMZBOCLSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406255436 925379437 /nfs/dbraw/zinc/37/94/37/925379437.db2.gz LCBUYTIWTFMQRH-MWLCHTKSSA-N 1 1 311.342 -1.427 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)n1 ZINC001406255498 925380594 /nfs/dbraw/zinc/38/05/94/925380594.db2.gz CTAGXENOWTUQHL-LLVKDONJSA-N 1 1 309.330 -1.602 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001406257754 925381344 /nfs/dbraw/zinc/38/13/44/925381344.db2.gz RPIRGDXWSGLRAM-ZJUUUORDSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406258097 925381866 /nfs/dbraw/zinc/38/18/66/925381866.db2.gz XMWHRYDKJMTZKD-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001406262662 925383111 /nfs/dbraw/zinc/38/31/11/925383111.db2.gz XEAFPXDDRQIUSO-SECBINFHSA-N 1 1 309.330 -1.865 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406260269 925383141 /nfs/dbraw/zinc/38/31/41/925383141.db2.gz WSFIOTKHHHUHIO-NEPJUHHUSA-N 1 1 313.358 -1.643 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001406262689 925384152 /nfs/dbraw/zinc/38/41/52/925384152.db2.gz OXHQBUMQBSSHBJ-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CCC(=O)NC1 ZINC001406266091 925385811 /nfs/dbraw/zinc/38/58/11/925385811.db2.gz WPBTYUIDONBTCK-NHYWBVRUSA-N 1 1 321.381 -1.040 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O ZINC001406266197 925385950 /nfs/dbraw/zinc/38/59/50/925385950.db2.gz DFRLNSCTZXKGKK-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2nnn(C)n2)C1 ZINC001406264655 925386318 /nfs/dbraw/zinc/38/63/18/925386318.db2.gz GNHQLLBECGWCTE-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)n1 ZINC001406273570 925390557 /nfs/dbraw/zinc/39/05/57/925390557.db2.gz GZVSLPYMVOLEPB-RYUDHWBXSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001406273620 925391095 /nfs/dbraw/zinc/39/10/95/925391095.db2.gz JTSQBDSRMXYLBQ-VHSXEESVSA-N 1 1 310.358 -1.506 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001406273620 925391106 /nfs/dbraw/zinc/39/11/06/925391106.db2.gz JTSQBDSRMXYLBQ-VHSXEESVSA-N 1 1 310.358 -1.506 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001406290883 925397662 /nfs/dbraw/zinc/39/76/62/925397662.db2.gz VXRRWTCEDFYYDV-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cncn1)c1ncccn1 ZINC001406288879 925397708 /nfs/dbraw/zinc/39/77/08/925397708.db2.gz RQHRUJJBACJANW-MNOVXSKESA-N 1 1 305.342 -1.104 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001406295352 925399422 /nfs/dbraw/zinc/39/94/22/925399422.db2.gz UQQGQYSRGULIOT-BDAKNGLRSA-N 1 1 313.383 -1.227 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001406295384 925400120 /nfs/dbraw/zinc/40/01/20/925400120.db2.gz UQQGQYSRGULIOT-IUCAKERBSA-N 1 1 313.383 -1.227 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001406299470 925400834 /nfs/dbraw/zinc/40/08/34/925400834.db2.gz ZQLOOVNSVCYQNS-VXGBXAGGSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001406299462 925401089 /nfs/dbraw/zinc/40/10/89/925401089.db2.gz ZQLOOVNSVCYQNS-RYUDHWBXSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC001406322754 925401558 /nfs/dbraw/zinc/40/15/58/925401558.db2.gz RUUNYVLNWVHQAN-GWCFXTLKSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CCS(C)(=O)=O ZINC001406383745 925409365 /nfs/dbraw/zinc/40/93/65/925409365.db2.gz PGDYFECYRJACNR-BDAKNGLRSA-N 1 1 318.403 -1.200 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O ZINC001406387838 925409419 /nfs/dbraw/zinc/40/94/19/925409419.db2.gz YVWMYNPMYDHMFL-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001406390819 925411629 /nfs/dbraw/zinc/41/16/29/925411629.db2.gz OIGVEEOEEJVTBM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001406431260 925415136 /nfs/dbraw/zinc/41/51/36/925415136.db2.gz LJDRSGNULIEQSU-SECBINFHSA-N 1 1 307.358 -1.240 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2ncnn2C)c(=O)n1C ZINC001406423990 925415142 /nfs/dbraw/zinc/41/51/42/925415142.db2.gz SAOIMCDYGCGHJX-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)s1 ZINC001406439021 925415267 /nfs/dbraw/zinc/41/52/67/925415267.db2.gz ZLYKYVZHDHOJSI-SSDOTTSWSA-N 1 1 321.428 -1.010 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O)nn1 ZINC001406467130 925417132 /nfs/dbraw/zinc/41/71/32/925417132.db2.gz OVYLXEFZQXRRRR-VIFPVBQESA-N 1 1 303.388 -1.063 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)Cn1ncn(C)c1=O ZINC001406497508 925417818 /nfs/dbraw/zinc/41/78/18/925417818.db2.gz YDLCRJJAAZOMAZ-JTQLQIEISA-N 1 1 305.342 -1.334 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001406493281 925418856 /nfs/dbraw/zinc/41/88/56/925418856.db2.gz LGRGTNPBCZGBHA-DTWKUNHWSA-N 1 1 320.357 -1.227 20 0 DAADMO CO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001406517141 925419695 /nfs/dbraw/zinc/41/96/95/925419695.db2.gz LOGNOIRBXIUMKY-JOYOIKCWSA-N 1 1 322.373 -1.074 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001406515529 925420669 /nfs/dbraw/zinc/42/06/69/925420669.db2.gz ASVGQGFALZOHRN-INTQDDNPSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001406601789 925423620 /nfs/dbraw/zinc/42/36/20/925423620.db2.gz CFIIBGFYLNDZTR-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001406601789 925423631 /nfs/dbraw/zinc/42/36/31/925423631.db2.gz CFIIBGFYLNDZTR-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001406608977 925423837 /nfs/dbraw/zinc/42/38/37/925423837.db2.gz KRQAHHHFHGHTLM-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001406608977 925423843 /nfs/dbraw/zinc/42/38/43/925423843.db2.gz KRQAHHHFHGHTLM-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)Cn1cnnn1 ZINC001406581973 925423954 /nfs/dbraw/zinc/42/39/54/925423954.db2.gz FQPLXFIIQFEYJB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001406609021 925424185 /nfs/dbraw/zinc/42/41/85/925424185.db2.gz KRQAHHHFHGHTLM-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001406609021 925424189 /nfs/dbraw/zinc/42/41/89/925424189.db2.gz KRQAHHHFHGHTLM-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001406615503 925424199 /nfs/dbraw/zinc/42/41/99/925424199.db2.gz UPUQMRGWONOKLE-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001406615503 925424201 /nfs/dbraw/zinc/42/42/01/925424201.db2.gz UPUQMRGWONOKLE-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001406620679 925424250 /nfs/dbraw/zinc/42/42/50/925424250.db2.gz SYWHZBUMJDXYIM-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001406620679 925424253 /nfs/dbraw/zinc/42/42/53/925424253.db2.gz SYWHZBUMJDXYIM-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001406605022 925424415 /nfs/dbraw/zinc/42/44/15/925424415.db2.gz HWKOZNFDGZUPLT-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617881 925424500 /nfs/dbraw/zinc/42/45/00/925424500.db2.gz SBWCQNLBYKUQCF-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617881 925424505 /nfs/dbraw/zinc/42/45/05/925424505.db2.gz SBWCQNLBYKUQCF-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001406583086 925424584 /nfs/dbraw/zinc/42/45/84/925424584.db2.gz HYPRJVQDZCHVPX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001406583086 925424590 /nfs/dbraw/zinc/42/45/90/925424590.db2.gz HYPRJVQDZCHVPX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1c[nH]cn1 ZINC001406666448 925425626 /nfs/dbraw/zinc/42/56/26/925425626.db2.gz KAXQPNLCUHMGDT-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1c[nH]cn1 ZINC001406666448 925425634 /nfs/dbraw/zinc/42/56/34/925425634.db2.gz KAXQPNLCUHMGDT-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406643320 925425758 /nfs/dbraw/zinc/42/57/58/925425758.db2.gz AAZYDROBYJBWFF-GXSJLCMTSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406643320 925425762 /nfs/dbraw/zinc/42/57/62/925425762.db2.gz AAZYDROBYJBWFF-GXSJLCMTSA-N 1 1 311.386 -1.370 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406624901 925426030 /nfs/dbraw/zinc/42/60/30/925426030.db2.gz ZRILMYUWZCVGHY-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653095 925425898 /nfs/dbraw/zinc/42/58/98/925425898.db2.gz OFIKEGMQBZKWFA-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653095 925425905 /nfs/dbraw/zinc/42/59/05/925425905.db2.gz OFIKEGMQBZKWFA-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406624901 925426026 /nfs/dbraw/zinc/42/60/26/925426026.db2.gz ZRILMYUWZCVGHY-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001406629367 925426427 /nfs/dbraw/zinc/42/64/27/925426427.db2.gz RZSBISJDVYLJPW-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001406629367 925426430 /nfs/dbraw/zinc/42/64/30/925426430.db2.gz RZSBISJDVYLJPW-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633487 925426451 /nfs/dbraw/zinc/42/64/51/925426451.db2.gz CRKWVTJSAKGBEX-WDEREUQCSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633487 925426454 /nfs/dbraw/zinc/42/64/54/925426454.db2.gz CRKWVTJSAKGBEX-WDEREUQCSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1n[nH]cc1F ZINC001406660828 925426500 /nfs/dbraw/zinc/42/65/00/925426500.db2.gz VLQOABWRGHPBJN-ZCFIWIBFSA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1n[nH]cc1F ZINC001406660828 925426504 /nfs/dbraw/zinc/42/65/04/925426504.db2.gz VLQOABWRGHPBJN-ZCFIWIBFSA-N 1 1 300.294 -1.206 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001406631396 925426511 /nfs/dbraw/zinc/42/65/11/925426511.db2.gz VPVMBPJBSKTTHP-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001406631396 925426513 /nfs/dbraw/zinc/42/65/13/925426513.db2.gz VPVMBPJBSKTTHP-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1n[nH]cc1F ZINC001406660825 925426620 /nfs/dbraw/zinc/42/66/20/925426620.db2.gz VLQOABWRGHPBJN-LURJTMIESA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1n[nH]cc1F ZINC001406660825 925426623 /nfs/dbraw/zinc/42/66/23/925426623.db2.gz VLQOABWRGHPBJN-LURJTMIESA-N 1 1 300.294 -1.206 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001406639737 925427328 /nfs/dbraw/zinc/42/73/28/925427328.db2.gz UIWARBNIMPYAJN-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001406639737 925427333 /nfs/dbraw/zinc/42/73/33/925427333.db2.gz UIWARBNIMPYAJN-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001406686013 925428249 /nfs/dbraw/zinc/42/82/49/925428249.db2.gz KNFZAWCQOPIIEO-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cc1nc[nH]n1 ZINC001406691366 925428437 /nfs/dbraw/zinc/42/84/37/925428437.db2.gz SEWLTUXNKYQZBQ-JTQLQIEISA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001406691366 925428443 /nfs/dbraw/zinc/42/84/43/925428443.db2.gz SEWLTUXNKYQZBQ-JTQLQIEISA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001406691366 925428448 /nfs/dbraw/zinc/42/84/48/925428448.db2.gz SEWLTUXNKYQZBQ-JTQLQIEISA-N 1 1 309.374 -1.191 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406706526 925428495 /nfs/dbraw/zinc/42/84/95/925428495.db2.gz YZHWTWZZOUTUOY-QMMMGPOBSA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406706526 925428499 /nfs/dbraw/zinc/42/84/99/925428499.db2.gz YZHWTWZZOUTUOY-QMMMGPOBSA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001406686018 925428511 /nfs/dbraw/zinc/42/85/11/925428511.db2.gz KNFZAWCQOPIIEO-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406671174 925429189 /nfs/dbraw/zinc/42/91/89/925429189.db2.gz TWRIIGFSKKUJOH-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406671174 925429199 /nfs/dbraw/zinc/42/91/99/925429199.db2.gz TWRIIGFSKKUJOH-PSASIEDQSA-N 1 1 315.374 -1.468 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 ZINC001406761436 925431805 /nfs/dbraw/zinc/43/18/05/925431805.db2.gz UTFWZLDZDCGIPO-MNOVXSKESA-N 1 1 308.342 -1.092 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001406781820 925431976 /nfs/dbraw/zinc/43/19/76/925431976.db2.gz ZBQORDPXEFAJTO-LBPRGKRZSA-N 1 1 322.369 -1.514 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406776155 925431994 /nfs/dbraw/zinc/43/19/94/925431994.db2.gz RSALHGSWXXDJLR-WPRPVWTQSA-N 1 1 309.374 -1.294 20 0 DAADMO O=C(C[NH2+]C[C@H](NC(=O)c1ncn[nH]1)C1CC1)N1CCOCC1 ZINC001406793175 925433416 /nfs/dbraw/zinc/43/34/16/925433416.db2.gz QVERBNFEXSUYGU-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]C[C@H](NC(=O)c1nc[nH]n1)C1CC1)N1CCOCC1 ZINC001406793175 925433420 /nfs/dbraw/zinc/43/34/20/925433420.db2.gz QVERBNFEXSUYGU-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)[nH]1 ZINC001406830392 925435252 /nfs/dbraw/zinc/43/52/52/925435252.db2.gz KSOICBISCVOABE-LLVKDONJSA-N 1 1 321.385 -1.129 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001406830392 925435259 /nfs/dbraw/zinc/43/52/59/925435259.db2.gz KSOICBISCVOABE-LLVKDONJSA-N 1 1 321.385 -1.129 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001406848931 925436698 /nfs/dbraw/zinc/43/66/98/925436698.db2.gz QOUYJBWYJXCCJQ-ZDUSSCGKSA-N 1 1 320.397 -1.495 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001406848931 925436701 /nfs/dbraw/zinc/43/67/01/925436701.db2.gz QOUYJBWYJXCCJQ-ZDUSSCGKSA-N 1 1 320.397 -1.495 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001406886554 925440854 /nfs/dbraw/zinc/44/08/54/925440854.db2.gz JBPQUPMXKXDBGZ-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO Cc1nnc(CC(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)o1 ZINC001406920314 925443376 /nfs/dbraw/zinc/44/33/76/925443376.db2.gz GVOHQNPPANEQIB-UHFFFAOYSA-N 1 1 321.341 -1.219 20 0 DAADMO O=C(NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1)c1ncn[nH]1 ZINC001406978621 925444594 /nfs/dbraw/zinc/44/45/94/925444594.db2.gz PODZOFOZVYHUBX-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1)c1nc[nH]n1 ZINC001406978621 925444595 /nfs/dbraw/zinc/44/45/95/925444595.db2.gz PODZOFOZVYHUBX-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc1=O ZINC001406962650 925445625 /nfs/dbraw/zinc/44/56/25/925445625.db2.gz DXICNRFOPFOOJA-SFYZADRCSA-N 1 1 308.342 -2.032 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001407031742 925447064 /nfs/dbraw/zinc/44/70/64/925447064.db2.gz OFZUOBZSIIDOPG-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@@H](C)O)C2)C1 ZINC001407035290 925448531 /nfs/dbraw/zinc/44/85/31/925448531.db2.gz GIZAMNNAMJMLCO-YPMHNXCESA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@]2(CC[N@@H+](C[C@H](C)O)C2)C1 ZINC001407035277 925448563 /nfs/dbraw/zinc/44/85/63/925448563.db2.gz GIZAMNNAMJMLCO-AAEUAGOBSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001407035261 925448645 /nfs/dbraw/zinc/44/86/45/925448645.db2.gz WEXSOSASKSQJBB-AAEUAGOBSA-N 1 1 319.427 -1.159 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NCC2CC2)C1 ZINC001407058501 925449916 /nfs/dbraw/zinc/44/99/16/925449916.db2.gz KXSHWAVYCFLQSP-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NCC2CC2)C1 ZINC001407058501 925449922 /nfs/dbraw/zinc/44/99/22/925449922.db2.gz KXSHWAVYCFLQSP-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407118264 925453336 /nfs/dbraw/zinc/45/33/36/925453336.db2.gz PWJHAPOYLAOFIX-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)Cn2ncnn2)CC1 ZINC001407126301 925454372 /nfs/dbraw/zinc/45/43/72/925454372.db2.gz HWZVWHHDORIPQQ-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001407151253 925454907 /nfs/dbraw/zinc/45/49/07/925454907.db2.gz GARWIXDHTFFDLV-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001407174305 925456069 /nfs/dbraw/zinc/45/60/69/925456069.db2.gz GMWUVUBTZOOWFA-YGRLFVJLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1)C(N)=O ZINC001407182952 925456164 /nfs/dbraw/zinc/45/61/64/925456164.db2.gz VUJFYFYSVQEGCE-GWCFXTLKSA-N 1 1 300.359 -2.061 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCCF)C1 ZINC001407172901 925456325 /nfs/dbraw/zinc/45/63/25/925456325.db2.gz MWTPTPNYBXCYRM-LLVKDONJSA-N 1 1 310.395 -1.020 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001407179678 925456776 /nfs/dbraw/zinc/45/67/76/925456776.db2.gz XKRFDLHIALYGAQ-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001407172060 925456854 /nfs/dbraw/zinc/45/68/54/925456854.db2.gz JTPQJAMMGQKBSK-PWSUYJOCSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172935 925457052 /nfs/dbraw/zinc/45/70/52/925457052.db2.gz DHFACIGGZRDGOT-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172935 925457060 /nfs/dbraw/zinc/45/70/60/925457060.db2.gz DHFACIGGZRDGOT-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001407176124 925457362 /nfs/dbraw/zinc/45/73/62/925457362.db2.gz MGMZKKZBUMNOSJ-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001407176124 925457366 /nfs/dbraw/zinc/45/73/66/925457366.db2.gz MGMZKKZBUMNOSJ-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001407179669 925457396 /nfs/dbraw/zinc/45/73/96/925457396.db2.gz XKRFDLHIALYGAQ-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172942 925457636 /nfs/dbraw/zinc/45/76/36/925457636.db2.gz DHFACIGGZRDGOT-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172942 925457640 /nfs/dbraw/zinc/45/76/40/925457640.db2.gz DHFACIGGZRDGOT-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407187091 925458225 /nfs/dbraw/zinc/45/82/25/925458225.db2.gz FIMTUWGSWWEQMR-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407187091 925458228 /nfs/dbraw/zinc/45/82/28/925458228.db2.gz FIMTUWGSWWEQMR-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO CN(C(=O)CNC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407197844 925459109 /nfs/dbraw/zinc/45/91/09/925459109.db2.gz QYYNAJNGFLWMGE-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C(=O)CNC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407197870 925459146 /nfs/dbraw/zinc/45/91/46/925459146.db2.gz QYYNAJNGFLWMGE-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001407281815 925460402 /nfs/dbraw/zinc/46/04/02/925460402.db2.gz AAWANHBXPYHGHX-AWEZNQCLSA-N 1 1 323.401 -1.020 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001407318055 925461934 /nfs/dbraw/zinc/46/19/34/925461934.db2.gz KIYPHVPCPCGXHN-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001407318055 925461942 /nfs/dbraw/zinc/46/19/42/925461942.db2.gz KIYPHVPCPCGXHN-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001407318050 925462549 /nfs/dbraw/zinc/46/25/49/925462549.db2.gz KIYPHVPCPCGXHN-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001407318050 925462552 /nfs/dbraw/zinc/46/25/52/925462552.db2.gz KIYPHVPCPCGXHN-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1)N1CCC1 ZINC001407329803 925462924 /nfs/dbraw/zinc/46/29/24/925462924.db2.gz ZXTZIMQZHPWGCL-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1)N1CCC1 ZINC001407329803 925462927 /nfs/dbraw/zinc/46/29/27/925462927.db2.gz ZXTZIMQZHPWGCL-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407327300 925462982 /nfs/dbraw/zinc/46/29/82/925462982.db2.gz TVIQEDHJFRRSLJ-BXUZGUMPSA-N 1 1 316.354 -1.565 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001407319703 925463200 /nfs/dbraw/zinc/46/32/00/925463200.db2.gz MGGQSLQGIJLSNE-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1)N1CCC1 ZINC001407329806 925463224 /nfs/dbraw/zinc/46/32/24/925463224.db2.gz ZXTZIMQZHPWGCL-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1)N1CCC1 ZINC001407329806 925463227 /nfs/dbraw/zinc/46/32/27/925463227.db2.gz ZXTZIMQZHPWGCL-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407346296 925463997 /nfs/dbraw/zinc/46/39/97/925463997.db2.gz DEXZZTVHBQQISE-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407346296 925464001 /nfs/dbraw/zinc/46/40/01/925464001.db2.gz DEXZZTVHBQQISE-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001407341420 925464258 /nfs/dbraw/zinc/46/42/58/925464258.db2.gz ICTLERKPDWDIKX-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001407338396 925464286 /nfs/dbraw/zinc/46/42/86/925464286.db2.gz BMGQWFMUWRXBIH-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001407338396 925464291 /nfs/dbraw/zinc/46/42/91/925464291.db2.gz BMGQWFMUWRXBIH-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001407348987 925464609 /nfs/dbraw/zinc/46/46/09/925464609.db2.gz HOHYYEMQHQIISF-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407338770 925464677 /nfs/dbraw/zinc/46/46/77/925464677.db2.gz AXNAXDMKJYAROE-CYBMUJFWSA-N 1 1 316.358 -2.016 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407338770 925464683 /nfs/dbraw/zinc/46/46/83/925464683.db2.gz AXNAXDMKJYAROE-CYBMUJFWSA-N 1 1 316.358 -2.016 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COCc2ccncc2)C1 ZINC001407343559 925464765 /nfs/dbraw/zinc/46/47/65/925464765.db2.gz AMKVEASTKAMAFA-OAHLLOKOSA-N 1 1 322.365 -1.364 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COCc2ccncc2)C1 ZINC001407343559 925464770 /nfs/dbraw/zinc/46/47/70/925464770.db2.gz AMKVEASTKAMAFA-OAHLLOKOSA-N 1 1 322.365 -1.364 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](CC2CCOCC2)C1 ZINC001407341093 925464794 /nfs/dbraw/zinc/46/47/94/925464794.db2.gz BHXSVVBXEOIQLS-AWEZNQCLSA-N 1 1 324.385 -1.347 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407338789 925464807 /nfs/dbraw/zinc/46/48/07/925464807.db2.gz AXNAXDMKJYAROE-ZDUSSCGKSA-N 1 1 316.358 -2.016 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407338789 925464810 /nfs/dbraw/zinc/46/48/10/925464810.db2.gz AXNAXDMKJYAROE-ZDUSSCGKSA-N 1 1 316.358 -2.016 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COCc2ccncc2)C1 ZINC001407343555 925464895 /nfs/dbraw/zinc/46/48/95/925464895.db2.gz AMKVEASTKAMAFA-HNNXBMFYSA-N 1 1 322.365 -1.364 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COCc2ccncc2)C1 ZINC001407343555 925464902 /nfs/dbraw/zinc/46/49/02/925464902.db2.gz AMKVEASTKAMAFA-HNNXBMFYSA-N 1 1 322.365 -1.364 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)o1 ZINC001407330267 925464965 /nfs/dbraw/zinc/46/49/65/925464965.db2.gz LSQPASMZLMIQPP-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)o1 ZINC001407330267 925464972 /nfs/dbraw/zinc/46/49/72/925464972.db2.gz LSQPASMZLMIQPP-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407340804 925465031 /nfs/dbraw/zinc/46/50/31/925465031.db2.gz GOOCKPBGBLZFRQ-NOZJJQNGSA-N 1 1 314.342 -2.216 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407340804 925465037 /nfs/dbraw/zinc/46/50/37/925465037.db2.gz GOOCKPBGBLZFRQ-NOZJJQNGSA-N 1 1 314.342 -2.216 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001407342455 925465598 /nfs/dbraw/zinc/46/55/98/925465598.db2.gz FCHQSQYDIHXPGG-YGRLFVJLSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001407342455 925465611 /nfs/dbraw/zinc/46/56/11/925465611.db2.gz FCHQSQYDIHXPGG-YGRLFVJLSA-N 1 1 323.353 -1.638 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407343485 925465684 /nfs/dbraw/zinc/46/56/84/925465684.db2.gz HJGQWCDTZQOJPT-AWEZNQCLSA-N 1 1 324.385 -1.598 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1N ZINC001407350393 925466542 /nfs/dbraw/zinc/46/65/42/925466542.db2.gz HEDJLRVGNFODAD-IINYFYTJSA-N 1 1 322.369 -1.943 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001407350393 925466551 /nfs/dbraw/zinc/46/65/51/925466551.db2.gz HEDJLRVGNFODAD-IINYFYTJSA-N 1 1 322.369 -1.943 20 0 DAADMO CC[C@H](OC)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407355369 925466664 /nfs/dbraw/zinc/46/66/64/925466664.db2.gz QDFZUDGXXIGKHN-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CC[C@H](OC)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407355369 925466670 /nfs/dbraw/zinc/46/66/70/925466670.db2.gz QDFZUDGXXIGKHN-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccnnc3)C2)C1=O ZINC001407357180 925466716 /nfs/dbraw/zinc/46/67/16/925466716.db2.gz VFHAKSFFAAYKML-SWLSCSKDSA-N 1 1 319.365 -1.126 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001407356961 925466911 /nfs/dbraw/zinc/46/69/11/925466911.db2.gz AJWDIFPNPHMKSD-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001407356961 925466915 /nfs/dbraw/zinc/46/69/15/925466915.db2.gz AJWDIFPNPHMKSD-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001407356474 925467088 /nfs/dbraw/zinc/46/70/88/925467088.db2.gz YXXLBHUAZMLIPZ-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001407350974 925467132 /nfs/dbraw/zinc/46/71/32/925467132.db2.gz BTEBKSFSLPYAGI-JOYOIKCWSA-N 1 1 316.383 -1.288 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001407356379 925467177 /nfs/dbraw/zinc/46/71/77/925467177.db2.gz HUPOTJIKVSYXJR-YGRLFVJLSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001407356379 925467181 /nfs/dbraw/zinc/46/71/81/925467181.db2.gz HUPOTJIKVSYXJR-YGRLFVJLSA-N 1 1 312.370 -2.059 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1N ZINC001407350358 925467198 /nfs/dbraw/zinc/46/71/98/925467198.db2.gz HEDJLRVGNFODAD-HZMBPMFUSA-N 1 1 322.369 -1.943 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001407350358 925467202 /nfs/dbraw/zinc/46/72/02/925467202.db2.gz HEDJLRVGNFODAD-HZMBPMFUSA-N 1 1 322.369 -1.943 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349497 925467233 /nfs/dbraw/zinc/46/72/33/925467233.db2.gz PXXMQGPPRXSRTD-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349497 925467241 /nfs/dbraw/zinc/46/72/41/925467241.db2.gz PXXMQGPPRXSRTD-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(COCC(F)F)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407351092 925467361 /nfs/dbraw/zinc/46/73/61/925467361.db2.gz BYGNUTBLIUOSAB-NOZJJQNGSA-N 1 1 321.324 -1.290 20 0 DAADMO O=C(COCC(F)F)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407351092 925467373 /nfs/dbraw/zinc/46/73/73/925467373.db2.gz BYGNUTBLIUOSAB-NOZJJQNGSA-N 1 1 321.324 -1.290 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001407351945 925467924 /nfs/dbraw/zinc/46/79/24/925467924.db2.gz MNOFWOODQODLDG-BXUZGUMPSA-N 1 1 310.354 -1.350 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001407352467 925468321 /nfs/dbraw/zinc/46/83/21/925468321.db2.gz NOQRTUPKFOTTJX-YWPYICTPSA-N 1 1 321.381 -1.438 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001407352467 925468328 /nfs/dbraw/zinc/46/83/28/925468328.db2.gz NOQRTUPKFOTTJX-YWPYICTPSA-N 1 1 321.381 -1.438 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001407357389 925469271 /nfs/dbraw/zinc/46/92/71/925469271.db2.gz AMFVSEQKSDRNOM-SWLSCSKDSA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1ccn(C[C@H](C)C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001407360898 925469499 /nfs/dbraw/zinc/46/94/99/925469499.db2.gz XHUYMVSLWARAAX-NHYWBVRUSA-N 1 1 323.397 -1.134 20 0 DAADMO Cc1ccn(C[C@H](C)C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001407360898 925469506 /nfs/dbraw/zinc/46/95/06/925469506.db2.gz XHUYMVSLWARAAX-NHYWBVRUSA-N 1 1 323.397 -1.134 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001407359268 925469569 /nfs/dbraw/zinc/46/95/69/925469569.db2.gz BPMIZTHUFRRKCT-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407363533 925470369 /nfs/dbraw/zinc/47/03/69/925470369.db2.gz DNEJMBKLQYZSSD-HNNXBMFYSA-N 1 1 321.381 -1.048 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407363533 925470377 /nfs/dbraw/zinc/47/03/77/925470377.db2.gz DNEJMBKLQYZSSD-HNNXBMFYSA-N 1 1 321.381 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001407363437 925470415 /nfs/dbraw/zinc/47/04/15/925470415.db2.gz MTZFLQDHHLJWFE-MFKMUULPSA-N 1 1 303.359 -2.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001407363437 925470424 /nfs/dbraw/zinc/47/04/24/925470424.db2.gz MTZFLQDHHLJWFE-MFKMUULPSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001407363113 925470989 /nfs/dbraw/zinc/47/09/89/925470989.db2.gz DGPKOQQXSHHPON-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001407370896 925471615 /nfs/dbraw/zinc/47/16/15/925471615.db2.gz GZYNGYUQIZADTQ-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001407370896 925471625 /nfs/dbraw/zinc/47/16/25/925471625.db2.gz GZYNGYUQIZADTQ-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001407370896 925471634 /nfs/dbraw/zinc/47/16/34/925471634.db2.gz GZYNGYUQIZADTQ-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2coc(OC)n2)C1 ZINC001407366250 925471755 /nfs/dbraw/zinc/47/17/55/925471755.db2.gz QCXBOCIOUBFLEY-CYBMUJFWSA-N 1 1 312.326 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2coc(OC)n2)C1 ZINC001407366250 925471766 /nfs/dbraw/zinc/47/17/66/925471766.db2.gz QCXBOCIOUBFLEY-CYBMUJFWSA-N 1 1 312.326 -1.404 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366259 925471812 /nfs/dbraw/zinc/47/18/12/925471812.db2.gz YFPWKGPWPOQJIG-SKDRFNHKSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366259 925471818 /nfs/dbraw/zinc/47/18/18/925471818.db2.gz YFPWKGPWPOQJIG-SKDRFNHKSA-N 1 1 311.367 -1.407 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407365515 925472302 /nfs/dbraw/zinc/47/23/02/925472302.db2.gz KJCUXKQVEPJYFE-SKDRFNHKSA-N 1 1 314.346 -2.616 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001407373740 925472421 /nfs/dbraw/zinc/47/24/21/925472421.db2.gz ZOYLEXIQHYLULG-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001407373740 925472428 /nfs/dbraw/zinc/47/24/28/925472428.db2.gz ZOYLEXIQHYLULG-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407366960 925472696 /nfs/dbraw/zinc/47/26/96/925472696.db2.gz PEEDZXAGBAUUEB-FZMZJTMJSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407366960 925472704 /nfs/dbraw/zinc/47/27/04/925472704.db2.gz PEEDZXAGBAUUEB-FZMZJTMJSA-N 1 1 322.369 -1.846 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001407374504 925472736 /nfs/dbraw/zinc/47/27/36/925472736.db2.gz BWDCGWMNFZZOOQ-AWEZNQCLSA-N 1 1 316.377 -1.669 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407367000 925473025 /nfs/dbraw/zinc/47/30/25/925473025.db2.gz PEEDZXAGBAUUEB-SMDDNHRTSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407367000 925473032 /nfs/dbraw/zinc/47/30/32/925473032.db2.gz PEEDZXAGBAUUEB-SMDDNHRTSA-N 1 1 322.369 -1.846 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366198 925473083 /nfs/dbraw/zinc/47/30/83/925473083.db2.gz YFPWKGPWPOQJIG-BXKDBHETSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366198 925473088 /nfs/dbraw/zinc/47/30/88/925473088.db2.gz YFPWKGPWPOQJIG-BXKDBHETSA-N 1 1 311.367 -1.407 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001407372863 925473240 /nfs/dbraw/zinc/47/32/40/925473240.db2.gz OSZIBJZIWBXGOM-SWLSCSKDSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001407372863 925473242 /nfs/dbraw/zinc/47/32/42/925473242.db2.gz OSZIBJZIWBXGOM-SWLSCSKDSA-N 1 1 321.381 -1.248 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407365511 925473339 /nfs/dbraw/zinc/47/33/39/925473339.db2.gz KJCUXKQVEPJYFE-BXKDBHETSA-N 1 1 314.346 -2.616 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001407375306 925474381 /nfs/dbraw/zinc/47/43/81/925474381.db2.gz UWVXHZFGOWGJQL-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001407375306 925474385 /nfs/dbraw/zinc/47/43/85/925474385.db2.gz UWVXHZFGOWGJQL-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CC(=O)NC3CC3)C2)C1 ZINC001407380335 925474407 /nfs/dbraw/zinc/47/44/07/925474407.db2.gz DVADEELFIVADMR-WBMJQRKESA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)COC)C1 ZINC001407375231 925474826 /nfs/dbraw/zinc/47/48/26/925474826.db2.gz UPBMYOYPFKPDOA-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)COC)C1 ZINC001407375231 925474834 /nfs/dbraw/zinc/47/48/34/925474834.db2.gz UPBMYOYPFKPDOA-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375064 925474852 /nfs/dbraw/zinc/47/48/52/925474852.db2.gz XAPOZBYJNFJDIT-QPUJVOFHSA-N 1 1 311.346 -2.359 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375064 925474858 /nfs/dbraw/zinc/47/48/58/925474858.db2.gz XAPOZBYJNFJDIT-QPUJVOFHSA-N 1 1 311.346 -2.359 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1=O ZINC001407378639 925475251 /nfs/dbraw/zinc/47/52/51/925475251.db2.gz UQRDJIJNJUYDTL-QMTHXVAHSA-N 1 1 322.369 -1.869 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001407386170 925476114 /nfs/dbraw/zinc/47/61/14/925476114.db2.gz MGTDAFLEHGAPKA-LLVKDONJSA-N 1 1 311.382 -1.288 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001407384816 925476379 /nfs/dbraw/zinc/47/63/79/925476379.db2.gz ZWHOWIPXRHIESW-OAHLLOKOSA-N 1 1 324.381 -1.341 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407385343 925476654 /nfs/dbraw/zinc/47/66/54/925476654.db2.gz YQTNETVMSWKQPI-LKFCYVNXSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407385343 925476661 /nfs/dbraw/zinc/47/66/61/925476661.db2.gz YQTNETVMSWKQPI-LKFCYVNXSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382365 925476933 /nfs/dbraw/zinc/47/69/33/925476933.db2.gz GYOUACALUSUEPP-DOMZBBRYSA-N 1 1 322.413 -1.180 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001407392720 925478041 /nfs/dbraw/zinc/47/80/41/925478041.db2.gz WOEQHTSFHJQIRS-CYBMUJFWSA-N 1 1 315.374 -2.266 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001407392720 925478045 /nfs/dbraw/zinc/47/80/45/925478045.db2.gz WOEQHTSFHJQIRS-CYBMUJFWSA-N 1 1 315.374 -2.266 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2nccn2C1 ZINC001407389543 925478664 /nfs/dbraw/zinc/47/86/64/925478664.db2.gz VYQSWUNOOIMAPS-WFASDCNBSA-N 1 1 308.382 -1.009 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407398328 925479907 /nfs/dbraw/zinc/47/99/07/925479907.db2.gz MTMFXLIPIVYZGI-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407398328 925479913 /nfs/dbraw/zinc/47/99/13/925479913.db2.gz MTMFXLIPIVYZGI-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407397260 925480365 /nfs/dbraw/zinc/48/03/65/925480365.db2.gz HJLJWJBBCCTPOE-WDEREUQCSA-N 1 1 314.386 -2.386 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407397260 925480372 /nfs/dbraw/zinc/48/03/72/925480372.db2.gz HJLJWJBBCCTPOE-WDEREUQCSA-N 1 1 314.386 -2.386 20 0 DAADMO Cn1cnn(CCC(=O)NCC2(O)C[NH+](CC3CCC3)C2)c1=O ZINC001407413424 925486558 /nfs/dbraw/zinc/48/65/58/925486558.db2.gz QICLOXHTRWEJDB-UHFFFAOYSA-N 1 1 323.397 -1.065 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)COC)CCO1 ZINC001407459913 925494672 /nfs/dbraw/zinc/49/46/72/925494672.db2.gz CGWAKOUUPFFVFJ-MNOVXSKESA-N 1 1 323.415 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+]([C@H](C)COC)CCO1 ZINC001407459913 925494677 /nfs/dbraw/zinc/49/46/77/925494677.db2.gz CGWAKOUUPFFVFJ-MNOVXSKESA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001407470180 925497725 /nfs/dbraw/zinc/49/77/25/925497725.db2.gz DNNCRSVOYRNRNO-FZMZJTMJSA-N 1 1 310.398 -1.491 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2cnnn2C)C1 ZINC001407472597 925498619 /nfs/dbraw/zinc/49/86/19/925498619.db2.gz FXGLDAXJHJLQBS-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001407492863 925501410 /nfs/dbraw/zinc/50/14/10/925501410.db2.gz JXLPPFYPLSYUSY-DCAQKATOSA-N 1 1 305.400 -1.503 20 0 DAADMO CCOCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001407542595 925504356 /nfs/dbraw/zinc/50/43/56/925504356.db2.gz ACDUGLRGHDXUQD-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO CCOCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001407542609 925504703 /nfs/dbraw/zinc/50/47/03/925504703.db2.gz ACDUGLRGHDXUQD-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001407572387 925505691 /nfs/dbraw/zinc/50/56/91/925505691.db2.gz QAJRKYNMVILMFV-SDDRHHMPSA-N 1 1 319.427 -1.303 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2C1 ZINC001407555796 925505717 /nfs/dbraw/zinc/50/57/17/925505717.db2.gz WBNMAHUPFBMUGT-TXEJJXNPSA-N 1 1 319.427 -1.086 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(C)=O)C[C@H]2C1 ZINC001407550240 925506767 /nfs/dbraw/zinc/50/67/67/925506767.db2.gz PHLZTRTZLIDQMS-BETUJISGSA-N 1 1 310.398 -1.009 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2C1 ZINC001407572937 925506829 /nfs/dbraw/zinc/50/68/29/925506829.db2.gz VBPMICWYBYRBDU-UTUOFQBUSA-N 1 1 319.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001407589839 925507484 /nfs/dbraw/zinc/50/74/84/925507484.db2.gz HAMIWAASDHNMGK-RNJOBUHISA-N 1 1 311.382 -1.338 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001407610504 925509852 /nfs/dbraw/zinc/50/98/52/925509852.db2.gz UBWHXMZAUYDQRW-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407617075 925510098 /nfs/dbraw/zinc/51/00/98/925510098.db2.gz JRWGHTUBLPIXHY-MFKMUULPSA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1COC(=O)N1 ZINC001407605711 925510469 /nfs/dbraw/zinc/51/04/69/925510469.db2.gz HSTWHGLJKXUUKK-GWCFXTLKSA-N 1 1 301.343 -1.580 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407623998 925512653 /nfs/dbraw/zinc/51/26/53/925512653.db2.gz FPNSRGKQRXZLGS-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407623998 925512656 /nfs/dbraw/zinc/51/26/56/925512656.db2.gz FPNSRGKQRXZLGS-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1cnc2n1CCOC2 ZINC001407645950 925513416 /nfs/dbraw/zinc/51/34/16/925513416.db2.gz NNTZOJCGBHMUCS-OAHLLOKOSA-N 1 1 324.381 -1.038 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)cc1=O ZINC001407644065 925513673 /nfs/dbraw/zinc/51/36/73/925513673.db2.gz MOKUIMKAHNBXDH-AWEZNQCLSA-N 1 1 310.354 -1.671 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001407650810 925513986 /nfs/dbraw/zinc/51/39/86/925513986.db2.gz HTKJPCAXEGGRSI-OUAUKWLOSA-N 1 1 311.386 -1.159 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cnon2)C1 ZINC001407640371 925514014 /nfs/dbraw/zinc/51/40/14/925514014.db2.gz ROTVIANYMJTPKB-ZWNOBZJWSA-N 1 1 314.342 -1.366 20 0 DAADMO C[N@@H+](CC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1)C1CCC1 ZINC001407655035 925514069 /nfs/dbraw/zinc/51/40/69/925514069.db2.gz VGSQRNFIKNJMQX-HNNXBMFYSA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001407654901 925514388 /nfs/dbraw/zinc/51/43/88/925514388.db2.gz LPPQAEJRBWDXKT-WCBMZHEXSA-N 1 1 321.341 -1.464 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001407654901 925514394 /nfs/dbraw/zinc/51/43/94/925514394.db2.gz LPPQAEJRBWDXKT-WCBMZHEXSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cnn(C)n1)c1nncn1C ZINC001407653141 925514555 /nfs/dbraw/zinc/51/45/55/925514555.db2.gz GKZYRPLSPWJMMI-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@H]1CCN(C)C1=O ZINC001407654023 925515143 /nfs/dbraw/zinc/51/51/43/925515143.db2.gz HKWCVKVCKIEOEV-JTQLQIEISA-N 1 1 310.358 -1.632 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ccn(C)n1)c1nnnn1C ZINC001407662444 925515839 /nfs/dbraw/zinc/51/58/39/925515839.db2.gz BNOFZGHJKHSSSV-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)n1 ZINC001407659174 925516577 /nfs/dbraw/zinc/51/65/77/925516577.db2.gz NWAGPGYQYTXXRX-AWEZNQCLSA-N 1 1 311.386 -1.317 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001407745846 925521665 /nfs/dbraw/zinc/52/16/65/925521665.db2.gz XGFLFJOQKSMAJV-NEPJUHHUSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001407745846 925521671 /nfs/dbraw/zinc/52/16/71/925521671.db2.gz XGFLFJOQKSMAJV-NEPJUHHUSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407748259 925523477 /nfs/dbraw/zinc/52/34/77/925523477.db2.gz MDGSAKBUQHIGFF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001407763001 925524944 /nfs/dbraw/zinc/52/49/44/925524944.db2.gz NWDDABSZZADJAF-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CCC2)n1 ZINC001407775078 925525227 /nfs/dbraw/zinc/52/52/27/925525227.db2.gz XWGKQTCVKQOGRF-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1ncnc1C[NH2+]C1(CNC(=O)Cn2cnnn2)CCC1 ZINC001407772052 925525449 /nfs/dbraw/zinc/52/54/49/925525449.db2.gz QEQMCVMNQBRUDQ-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001407772516 925525804 /nfs/dbraw/zinc/52/58/04/925525804.db2.gz MKPYIVZJZWHBPT-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001407793192 925527177 /nfs/dbraw/zinc/52/71/77/925527177.db2.gz QVAUZMGSXYQVFW-VHSXEESVSA-N 1 1 321.385 -1.150 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001407838238 925528365 /nfs/dbraw/zinc/52/83/65/925528365.db2.gz LEUJPODTGJGUHT-UWVGGRQHSA-N 1 1 310.358 -1.572 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)c2nncn2C)C1 ZINC001407819519 925528850 /nfs/dbraw/zinc/52/88/50/925528850.db2.gz AVDGHMGOHOKPAK-JQWIXIFHSA-N 1 1 324.385 -1.171 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001407853007 925529432 /nfs/dbraw/zinc/52/94/32/925529432.db2.gz MZOBKCLMJYXVPI-GHMZBOCLSA-N 1 1 313.358 -1.449 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001407843594 925529628 /nfs/dbraw/zinc/52/96/28/925529628.db2.gz YXSNOLOTXPOCSE-CYBMUJFWSA-N 1 1 324.385 -1.390 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001407844730 925529805 /nfs/dbraw/zinc/52/98/05/925529805.db2.gz FIZKMQKJJSQVQW-GFCCVEGCSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001407901907 925534620 /nfs/dbraw/zinc/53/46/20/925534620.db2.gz JZHSCQWVWDDRLT-PHIMTYICSA-N 1 1 322.369 -1.116 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001407956424 925535345 /nfs/dbraw/zinc/53/53/45/925535345.db2.gz PVCHEWLTDNYWCI-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001407956421 925535505 /nfs/dbraw/zinc/53/55/05/925535505.db2.gz PVCHEWLTDNYWCI-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001407932445 925535851 /nfs/dbraw/zinc/53/58/51/925535851.db2.gz WZLLPTRSLXEHCU-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCNC(N)=O)O2 ZINC001407960820 925536133 /nfs/dbraw/zinc/53/61/33/925536133.db2.gz BIESHHILQKPYLR-MNOVXSKESA-N 1 1 314.386 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001407921985 925536165 /nfs/dbraw/zinc/53/61/65/925536165.db2.gz KTNDQGZNQXCJMG-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001407951213 925536354 /nfs/dbraw/zinc/53/63/54/925536354.db2.gz DEHVMGXGCFLPJZ-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001407934172 925536502 /nfs/dbraw/zinc/53/65/02/925536502.db2.gz ZCKGRBTVRFHWSH-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001407928322 925536530 /nfs/dbraw/zinc/53/65/30/925536530.db2.gz VBBCBXOTWJGFQD-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407933227 925536652 /nfs/dbraw/zinc/53/66/52/925536652.db2.gz XDBYORZVVJWXIU-AXFHLTTASA-N 1 1 311.386 -1.227 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CNS(=O)(=O)NC)O2 ZINC001407971217 925537199 /nfs/dbraw/zinc/53/71/99/925537199.db2.gz HYXGFONJSHNZIB-JTQLQIEISA-N 1 1 320.415 -1.590 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001408024699 925541278 /nfs/dbraw/zinc/54/12/78/925541278.db2.gz DNXRXTIHPZXWSP-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CCNC(=O)C[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001408038140 925541915 /nfs/dbraw/zinc/54/19/15/925541915.db2.gz QWCAYWIQMJPBIB-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO C[NH+](C)CCCC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001408049323 925543290 /nfs/dbraw/zinc/54/32/90/925543290.db2.gz NVZREPDEJUSYGA-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001408106551 925548466 /nfs/dbraw/zinc/54/84/66/925548466.db2.gz OGGMKNBJEQNWAW-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001408106551 925548471 /nfs/dbraw/zinc/54/84/71/925548471.db2.gz OGGMKNBJEQNWAW-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408129826 925549390 /nfs/dbraw/zinc/54/93/90/925549390.db2.gz FRIGBFDGLXIXBG-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408129826 925549396 /nfs/dbraw/zinc/54/93/96/925549396.db2.gz FRIGBFDGLXIXBG-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2cn[nH]c2)CC1 ZINC001408129512 925550314 /nfs/dbraw/zinc/55/03/14/925550314.db2.gz JQDWBEDETJXQTN-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001408139386 925551250 /nfs/dbraw/zinc/55/12/50/925551250.db2.gz MRESRWZZZLRFNL-ZDUSSCGKSA-N 1 1 323.397 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001408147570 925551274 /nfs/dbraw/zinc/55/12/74/925551274.db2.gz YQMFLNLRUBAGCF-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001408147570 925551280 /nfs/dbraw/zinc/55/12/80/925551280.db2.gz YQMFLNLRUBAGCF-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001408148544 925551991 /nfs/dbraw/zinc/55/19/91/925551991.db2.gz XJLVBFREWFZKTB-UHFFFAOYSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001408165539 925552804 /nfs/dbraw/zinc/55/28/04/925552804.db2.gz NLHLXMPPWLFCBP-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001408165539 925552811 /nfs/dbraw/zinc/55/28/11/925552811.db2.gz NLHLXMPPWLFCBP-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001408155514 925552842 /nfs/dbraw/zinc/55/28/42/925552842.db2.gz GUOVFIOKPJAKNR-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001408155514 925552850 /nfs/dbraw/zinc/55/28/50/925552850.db2.gz GUOVFIOKPJAKNR-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)cn1 ZINC001408186881 925554612 /nfs/dbraw/zinc/55/46/12/925554612.db2.gz XMESXRFPDGASMS-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](CCNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnn(C)n1 ZINC001408200491 925555130 /nfs/dbraw/zinc/55/51/30/925555130.db2.gz NZQKDPUXNWTSNZ-VIFPVBQESA-N 1 1 320.357 -1.398 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408192637 925555725 /nfs/dbraw/zinc/55/57/25/925555725.db2.gz CQHHWRALQRRQJP-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnccn2)CC1 ZINC001408246937 925558367 /nfs/dbraw/zinc/55/83/67/925558367.db2.gz PIBSGSLWNFPYRJ-UHFFFAOYSA-N 1 1 307.354 -1.221 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CCn2cncn2)CC1 ZINC001408258285 925560266 /nfs/dbraw/zinc/56/02/66/925560266.db2.gz PZKBPGAZXKNHBW-UHFFFAOYSA-N 1 1 324.385 -1.643 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)CN1CN=NC1=O ZINC001408253074 925560509 /nfs/dbraw/zinc/56/05/09/925560509.db2.gz LKYZPTFWAVHMNZ-JTQLQIEISA-N 1 1 312.374 -1.054 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](COC)OC)CC1 ZINC001408275487 925561491 /nfs/dbraw/zinc/56/14/91/925561491.db2.gz HZSSTQMRAPQHTA-NSHDSACASA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccnnc2)CC1 ZINC001408272669 925561838 /nfs/dbraw/zinc/56/18/38/925561838.db2.gz AYBUGVOQZWICOS-SNVBAGLBSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccnnc2)CC1 ZINC001408272667 925562086 /nfs/dbraw/zinc/56/20/86/925562086.db2.gz AYBUGVOQZWICOS-JTQLQIEISA-N 1 1 307.354 -1.093 20 0 DAADMO O=C(Cn1cncn1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001408287794 925563272 /nfs/dbraw/zinc/56/32/72/925563272.db2.gz YNMZVJOOXDHRAP-LLVKDONJSA-N 1 1 322.369 -1.890 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 ZINC001408279711 925564024 /nfs/dbraw/zinc/56/40/24/925564024.db2.gz OSOKEGAPDQDDDS-QMMMGPOBSA-N 1 1 313.333 -1.021 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001408334415 925564743 /nfs/dbraw/zinc/56/47/43/925564743.db2.gz KSMJFUXEZMXLIF-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CN=NC1=O ZINC001408331350 925565817 /nfs/dbraw/zinc/56/58/17/925565817.db2.gz KTVZSUIIMYCESF-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001408345252 925566219 /nfs/dbraw/zinc/56/62/19/925566219.db2.gz VNYLAYLDLKHZKG-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001408345252 925566227 /nfs/dbraw/zinc/56/62/27/925566227.db2.gz VNYLAYLDLKHZKG-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001408345256 925566240 /nfs/dbraw/zinc/56/62/40/925566240.db2.gz VNYLAYLDLKHZKG-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001408345256 925566243 /nfs/dbraw/zinc/56/62/43/925566243.db2.gz VNYLAYLDLKHZKG-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344900 925566408 /nfs/dbraw/zinc/56/64/08/925566408.db2.gz RESUYUZVTYIFDY-VXGBXAGGSA-N 1 1 321.385 -1.118 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cn[nH]n2)C1 ZINC001408584237 925580266 /nfs/dbraw/zinc/58/02/66/925580266.db2.gz CCUGCQQDBLPONH-LLVKDONJSA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cn[nH]n2)C1 ZINC001408584237 925580274 /nfs/dbraw/zinc/58/02/74/925580274.db2.gz CCUGCQQDBLPONH-LLVKDONJSA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCNC(=O)CCCC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408612103 925581796 /nfs/dbraw/zinc/58/17/96/925581796.db2.gz JGSOTUDUHCADAD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)CCCC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408612103 925581803 /nfs/dbraw/zinc/58/18/03/925581803.db2.gz JGSOTUDUHCADAD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)CCCC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408612104 925581826 /nfs/dbraw/zinc/58/18/26/925581826.db2.gz JGSOTUDUHCADAD-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)CCCC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408612104 925581834 /nfs/dbraw/zinc/58/18/34/925581834.db2.gz JGSOTUDUHCADAD-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408633127 925583527 /nfs/dbraw/zinc/58/35/27/925583527.db2.gz DIHOKZTYGKMWDZ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001408633241 925584258 /nfs/dbraw/zinc/58/42/58/925584258.db2.gz HTGKEGPBGHFELO-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408633128 925584341 /nfs/dbraw/zinc/58/43/41/925584341.db2.gz DIHOKZTYGKMWDZ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C[N@@H+](C)C1CCC1 ZINC001408672198 925588645 /nfs/dbraw/zinc/58/86/45/925588645.db2.gz GIKJXBIKNCCZBN-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408670521 925588915 /nfs/dbraw/zinc/58/89/15/925588915.db2.gz PPBJXEFCUQLKOA-NSHDSACASA-N 1 1 323.353 -1.711 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408670521 925588916 /nfs/dbraw/zinc/58/89/16/925588916.db2.gz PPBJXEFCUQLKOA-NSHDSACASA-N 1 1 323.353 -1.711 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408693979 925590745 /nfs/dbraw/zinc/59/07/45/925590745.db2.gz VDIUNDFOFZOEMZ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)Cc1nc[nH]n1)C(=O)CC[NH+]1CCOCC1 ZINC001408697935 925591031 /nfs/dbraw/zinc/59/10/31/925591031.db2.gz RYVFUNJDLFCNRL-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CNC(=O)NC ZINC001408725631 925592606 /nfs/dbraw/zinc/59/26/06/925592606.db2.gz IEJDXIAFDGOLOA-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)Cn1cnnn1)C1CC1 ZINC001408896877 925599663 /nfs/dbraw/zinc/59/96/63/925599663.db2.gz LWFFSTGWEXOUNO-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1)C1CCC1 ZINC001409043670 925605868 /nfs/dbraw/zinc/60/58/68/925605868.db2.gz BCPXYMJHHCZMIP-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CCN3CCOCC3)C2)C1 ZINC001409078732 925610805 /nfs/dbraw/zinc/61/08/05/925610805.db2.gz YRRJGANIITXQMM-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001409139870 925618796 /nfs/dbraw/zinc/61/87/96/925618796.db2.gz BDRTUNHBQLJYPX-UHFFFAOYSA-N 1 1 322.369 -1.175 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001409142556 925619325 /nfs/dbraw/zinc/61/93/25/925619325.db2.gz OXQUXXJJXSBZEF-NSHDSACASA-N 1 1 311.386 -1.558 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001409182014 925623925 /nfs/dbraw/zinc/62/39/25/925623925.db2.gz JFXVCEDIGLQQRZ-JQWIXIFHSA-N 1 1 323.397 -1.416 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)Cn3cncn3)C2)C1 ZINC001409183839 925624454 /nfs/dbraw/zinc/62/44/54/925624454.db2.gz UFHZYVFJSOJYLH-GFCCVEGCSA-N 1 1 306.370 -1.196 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001409229720 925625735 /nfs/dbraw/zinc/62/57/35/925625735.db2.gz LUXGQQDDZHKGCW-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409229722 925626361 /nfs/dbraw/zinc/62/63/61/925626361.db2.gz LUXGQQDDZHKGCW-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409286853 925627745 /nfs/dbraw/zinc/62/77/45/925627745.db2.gz IPDDWTTVNPJBKI-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001409358903 925631201 /nfs/dbraw/zinc/63/12/01/925631201.db2.gz HHHCBAPTBIXHEJ-VHSXEESVSA-N 1 1 311.342 -1.089 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001409371357 925631499 /nfs/dbraw/zinc/63/14/99/925631499.db2.gz OLDQFJSJCINCEW-VHSXEESVSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)c1N)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001409336271 925631586 /nfs/dbraw/zinc/63/15/86/925631586.db2.gz ZDAWXDMMYPXMSQ-HTQZYQBOSA-N 1 1 307.362 -1.178 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001409352987 925631613 /nfs/dbraw/zinc/63/16/13/925631613.db2.gz JJVOKGCAXIXNGR-ZJUUUORDSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001409371374 925631942 /nfs/dbraw/zinc/63/19/42/925631942.db2.gz OLDQFJSJCINCEW-ZJUUUORDSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409370571 925631954 /nfs/dbraw/zinc/63/19/54/925631954.db2.gz MTWYOVCQEDWUOD-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001409377080 925632582 /nfs/dbraw/zinc/63/25/82/925632582.db2.gz RJQPBSVJSHJYSX-BDAKNGLRSA-N 1 1 319.387 -1.056 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001409519579 925635318 /nfs/dbraw/zinc/63/53/18/925635318.db2.gz WPEGDXUDBPQNSO-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001409519579 925635325 /nfs/dbraw/zinc/63/53/25/925635325.db2.gz WPEGDXUDBPQNSO-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@@H+](C)CCO ZINC001409555589 925635414 /nfs/dbraw/zinc/63/54/14/925635414.db2.gz MEDBBEZRZTYOBW-SNVBAGLBSA-N 1 1 310.420 -1.847 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001409559664 925635512 /nfs/dbraw/zinc/63/55/12/925635512.db2.gz YTBBPFRREACOMZ-UWVGGRQHSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001409559664 925635515 /nfs/dbraw/zinc/63/55/15/925635515.db2.gz YTBBPFRREACOMZ-UWVGGRQHSA-N 1 1 301.391 -1.124 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001409519586 925635645 /nfs/dbraw/zinc/63/56/45/925635645.db2.gz WPEGDXUDBPQNSO-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001409519586 925635648 /nfs/dbraw/zinc/63/56/48/925635648.db2.gz WPEGDXUDBPQNSO-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COCCO1)[N@@H+](C)CCN1CCNC1=O ZINC001409524927 925635987 /nfs/dbraw/zinc/63/59/87/925635987.db2.gz KGQWKVTUKLLCGO-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@H+](C)CC(=O)N1CCOCC1 ZINC001409537729 925636284 /nfs/dbraw/zinc/63/62/84/925636284.db2.gz LGGHQQGMHURQKS-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001409537729 925636290 /nfs/dbraw/zinc/63/62/90/925636290.db2.gz LGGHQQGMHURQKS-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@H+](C)CC(=O)N1CCOCC1 ZINC001409537744 925636353 /nfs/dbraw/zinc/63/63/53/925636353.db2.gz LGGHQQGMHURQKS-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001409537744 925636355 /nfs/dbraw/zinc/63/63/55/925636355.db2.gz LGGHQQGMHURQKS-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COCCO1)[N@@H+](C)CCN1CCNC1=O ZINC001409524950 925636481 /nfs/dbraw/zinc/63/64/81/925636481.db2.gz KGQWKVTUKLLCGO-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409591159 925637417 /nfs/dbraw/zinc/63/74/17/925637417.db2.gz LTJILQZRFBYJCA-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001409601399 925637774 /nfs/dbraw/zinc/63/77/74/925637774.db2.gz IEMLIEAGVMWGRT-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001409601399 925637783 /nfs/dbraw/zinc/63/77/83/925637783.db2.gz IEMLIEAGVMWGRT-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001409565048 925638067 /nfs/dbraw/zinc/63/80/67/925638067.db2.gz LLBNRFXFEZAIHH-WDEREUQCSA-N 1 1 312.370 -1.162 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001409601150 925638145 /nfs/dbraw/zinc/63/81/45/925638145.db2.gz IEMLIEAGVMWGRT-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001409601150 925638154 /nfs/dbraw/zinc/63/81/54/925638154.db2.gz IEMLIEAGVMWGRT-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001409601153 925638650 /nfs/dbraw/zinc/63/86/50/925638650.db2.gz IEMLIEAGVMWGRT-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001409601153 925638655 /nfs/dbraw/zinc/63/86/55/925638655.db2.gz IEMLIEAGVMWGRT-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001409618517 925640865 /nfs/dbraw/zinc/64/08/65/925640865.db2.gz OTSOEMQBHKHAJH-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001409618517 925640870 /nfs/dbraw/zinc/64/08/70/925640870.db2.gz OTSOEMQBHKHAJH-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)cn2n1 ZINC001409623578 925640921 /nfs/dbraw/zinc/64/09/21/925640921.db2.gz MPTLITHRWXNEPX-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)cn2n1 ZINC001409623578 925640929 /nfs/dbraw/zinc/64/09/29/925640929.db2.gz MPTLITHRWXNEPX-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409653664 925642256 /nfs/dbraw/zinc/64/22/56/925642256.db2.gz NIRGWPODBTYWJM-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409653741 925642275 /nfs/dbraw/zinc/64/22/75/925642275.db2.gz NIRGWPODBTYWJM-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409660021 925642571 /nfs/dbraw/zinc/64/25/71/925642571.db2.gz QHJVZFZIADNSGH-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409660021 925642575 /nfs/dbraw/zinc/64/25/75/925642575.db2.gz QHJVZFZIADNSGH-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001409650437 925642875 /nfs/dbraw/zinc/64/28/75/925642875.db2.gz ZVROTVLTCOOAJJ-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001409708014 925645156 /nfs/dbraw/zinc/64/51/56/925645156.db2.gz CNDAAAIOAJKFBC-VIFPVBQESA-N 1 1 320.357 -1.103 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409718738 925646864 /nfs/dbraw/zinc/64/68/64/925646864.db2.gz JRMCCWCUUNODGO-NXEZZACHSA-N 1 1 309.374 -1.356 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409718763 925647968 /nfs/dbraw/zinc/64/79/68/925647968.db2.gz JRMCCWCUUNODGO-ZJUUUORDSA-N 1 1 309.374 -1.356 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2(CCO)CN(CCO)C2)no1 ZINC001409725704 925648564 /nfs/dbraw/zinc/64/85/64/925648564.db2.gz UCWCQPYZNMJUOE-UHFFFAOYSA-N 1 1 312.370 -1.105 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](CC[C@H]3CCCO3)C2)n1 ZINC001409740821 925649898 /nfs/dbraw/zinc/64/98/98/925649898.db2.gz LTFYJRVFBHVKNW-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CC[NH+]1CC(CCO)(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001409751931 925653735 /nfs/dbraw/zinc/65/37/35/925653735.db2.gz ZBWFBTXEGVDANT-JTQLQIEISA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)[N@H+](C)CC(N)=O ZINC001409753235 925653849 /nfs/dbraw/zinc/65/38/49/925653849.db2.gz NQEDRQVCEBXOEN-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)[N@@H+](C)CC(N)=O ZINC001409753235 925653858 /nfs/dbraw/zinc/65/38/58/925653858.db2.gz NQEDRQVCEBXOEN-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409940036 925656589 /nfs/dbraw/zinc/65/65/89/925656589.db2.gz YOEWQHKASIUSHY-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409940098 925657677 /nfs/dbraw/zinc/65/76/77/925657677.db2.gz YOEWQHKASIUSHY-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409940061 925657778 /nfs/dbraw/zinc/65/77/78/925657778.db2.gz YOEWQHKASIUSHY-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001409945694 925659330 /nfs/dbraw/zinc/65/93/30/925659330.db2.gz ZYQOKPBMPFYWFJ-SNVBAGLBSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001409985052 925660687 /nfs/dbraw/zinc/66/06/87/925660687.db2.gz RIPWGFSPBKYNMT-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001409985064 925660820 /nfs/dbraw/zinc/66/08/20/925660820.db2.gz RIPWGFSPBKYNMT-ZJUUUORDSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001409985048 925660839 /nfs/dbraw/zinc/66/08/39/925660839.db2.gz RIPWGFSPBKYNMT-NXEZZACHSA-N 1 1 313.402 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001409996684 925660971 /nfs/dbraw/zinc/66/09/71/925660971.db2.gz ZSBCGKZFVAUMRD-LLVKDONJSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001410011950 925662106 /nfs/dbraw/zinc/66/21/06/925662106.db2.gz BDOFGYIOQMZAKG-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001410011950 925662112 /nfs/dbraw/zinc/66/21/12/925662112.db2.gz BDOFGYIOQMZAKG-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001410047921 925665543 /nfs/dbraw/zinc/66/55/43/925665543.db2.gz JXZCCHAFQQWAOI-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001410045617 925665671 /nfs/dbraw/zinc/66/56/71/925665671.db2.gz LVZGCZYGGLOOPN-DBIOUOCHSA-N 1 1 312.370 -1.100 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001410054260 925667351 /nfs/dbraw/zinc/66/73/51/925667351.db2.gz FEMQHEBWFJXFKR-CNDDSTCGSA-N 1 1 310.398 -1.057 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001410066489 925669865 /nfs/dbraw/zinc/66/98/65/925669865.db2.gz BQFCKXZNKYVTPA-MNOVXSKESA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069250 925670116 /nfs/dbraw/zinc/67/01/16/925670116.db2.gz DHANTYUXSWYTKK-WDEREUQCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069250 925670122 /nfs/dbraw/zinc/67/01/22/925670122.db2.gz DHANTYUXSWYTKK-WDEREUQCSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001410073402 925672402 /nfs/dbraw/zinc/67/24/02/925672402.db2.gz WCVXHGAFZHBKFU-AAEUAGOBSA-N 1 1 323.397 -1.031 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075317 925673447 /nfs/dbraw/zinc/67/34/47/925673447.db2.gz CUAFNVITBCFSEB-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)[nH]1 ZINC001410078977 925674165 /nfs/dbraw/zinc/67/41/65/925674165.db2.gz MYOHMJUGTHVISL-DMLMCSCLSA-N 1 1 306.370 -1.177 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC001410078977 925674170 /nfs/dbraw/zinc/67/41/70/925674170.db2.gz MYOHMJUGTHVISL-DMLMCSCLSA-N 1 1 306.370 -1.177 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC001410078977 925674179 /nfs/dbraw/zinc/67/41/79/925674179.db2.gz MYOHMJUGTHVISL-DMLMCSCLSA-N 1 1 306.370 -1.177 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001410083190 925674884 /nfs/dbraw/zinc/67/48/84/925674884.db2.gz IQGJBNAHGWWBBY-KOLCDFICSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001410083202 925674995 /nfs/dbraw/zinc/67/49/95/925674995.db2.gz IQGJBNAHGWWBBY-MWLCHTKSSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1cncnc1 ZINC001410087051 925676239 /nfs/dbraw/zinc/67/62/39/925676239.db2.gz LLXXHYRZWXYEDE-STQMWFEESA-N 1 1 321.381 -1.293 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001410093328 925678028 /nfs/dbraw/zinc/67/80/28/925678028.db2.gz GMGKNZNKEKDVSC-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001410105426 925683388 /nfs/dbraw/zinc/68/33/88/925683388.db2.gz PFWQNSGXRCQWIS-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001410104837 925683698 /nfs/dbraw/zinc/68/36/98/925683698.db2.gz NGCXKGHBHGMCCV-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnnn2C)C1 ZINC001410109124 925684638 /nfs/dbraw/zinc/68/46/38/925684638.db2.gz DMIYNMSRKSYBMH-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001410108888 925685469 /nfs/dbraw/zinc/68/54/69/925685469.db2.gz QJCAPBYAPWQNIH-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001410118638 925686265 /nfs/dbraw/zinc/68/62/65/925686265.db2.gz OLVFUSGIXMILLS-VHSXEESVSA-N 1 1 316.358 -1.972 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001410117003 925687017 /nfs/dbraw/zinc/68/70/17/925687017.db2.gz QJPKAWNBBVAPPG-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001410120956 925689252 /nfs/dbraw/zinc/68/92/52/925689252.db2.gz PWSNBMASDXLFGB-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410148518 925693925 /nfs/dbraw/zinc/69/39/25/925693925.db2.gz PFJLZEXCCXYSMN-NXEZZACHSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410148579 925694830 /nfs/dbraw/zinc/69/48/30/925694830.db2.gz PFJLZEXCCXYSMN-VHSXEESVSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410150010 925695450 /nfs/dbraw/zinc/69/54/50/925695450.db2.gz YDPDCCDYUSLWIG-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410155446 925697512 /nfs/dbraw/zinc/69/75/12/925697512.db2.gz XBESKPXCUSRQTK-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001410161181 925697778 /nfs/dbraw/zinc/69/77/78/925697778.db2.gz STJNQXQKVNEDRM-RTCCRHLQSA-N 1 1 322.369 -1.889 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410155444 925697887 /nfs/dbraw/zinc/69/78/87/925697887.db2.gz XBESKPXCUSRQTK-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001410159337 925698390 /nfs/dbraw/zinc/69/83/90/925698390.db2.gz NNZNXMSNCKGJAC-AATLWQCWSA-N 1 1 318.399 -2.297 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410174899 925699364 /nfs/dbraw/zinc/69/93/64/925699364.db2.gz KCRMFBYDZZFDCO-BDAKNGLRSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410174899 925699368 /nfs/dbraw/zinc/69/93/68/925699368.db2.gz KCRMFBYDZZFDCO-BDAKNGLRSA-N 1 1 301.347 -2.394 20 0 DAADMO Cn1cnc(C(=O)N2CCC([N@@H+](C)CC(=O)NC(N)=O)CC2)n1 ZINC001410217735 925702850 /nfs/dbraw/zinc/70/28/50/925702850.db2.gz LBNDUECFOIWGCZ-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410207830 925703185 /nfs/dbraw/zinc/70/31/85/925703185.db2.gz JAYUFGZZPBFCAR-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001410227647 925704888 /nfs/dbraw/zinc/70/48/88/925704888.db2.gz QBURDDHVODQCPO-MGCOHNPYSA-N 1 1 322.369 -1.108 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001410227051 925705044 /nfs/dbraw/zinc/70/50/44/925705044.db2.gz ZFVQZRQRXVXHGN-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001410227051 925705052 /nfs/dbraw/zinc/70/50/52/925705052.db2.gz ZFVQZRQRXVXHGN-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(=O)n(C)n1 ZINC001410293344 925707633 /nfs/dbraw/zinc/70/76/33/925707633.db2.gz CBLBXVPHYIMXHJ-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(=O)cn1 ZINC001410280807 925707812 /nfs/dbraw/zinc/70/78/12/925707812.db2.gz KOFUMXIJCRPSBB-ZJUUUORDSA-N 1 1 307.354 -1.044 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001410311499 925709327 /nfs/dbraw/zinc/70/93/27/925709327.db2.gz LOQGDLYJSKHRNZ-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410336200 925710435 /nfs/dbraw/zinc/71/04/35/925710435.db2.gz WXZZSMIGLFLGBY-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410336200 925710443 /nfs/dbraw/zinc/71/04/43/925710443.db2.gz WXZZSMIGLFLGBY-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410333947 925711052 /nfs/dbraw/zinc/71/10/52/925711052.db2.gz QGBUGSBDMGMBOS-WDEREUQCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410333947 925711059 /nfs/dbraw/zinc/71/10/59/925711059.db2.gz QGBUGSBDMGMBOS-WDEREUQCSA-N 1 1 309.370 -1.096 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410337071 925711475 /nfs/dbraw/zinc/71/14/75/925711475.db2.gz KFWMCICYLZFMSA-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410337071 925711480 /nfs/dbraw/zinc/71/14/80/925711480.db2.gz KFWMCICYLZFMSA-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001410415013 925717506 /nfs/dbraw/zinc/71/75/06/925717506.db2.gz YNTHDRHASLBNRH-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001410477246 925721966 /nfs/dbraw/zinc/72/19/66/925721966.db2.gz CNPBHWKWNBTDAR-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001410477246 925721972 /nfs/dbraw/zinc/72/19/72/925721972.db2.gz CNPBHWKWNBTDAR-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001410561304 925727753 /nfs/dbraw/zinc/72/77/53/925727753.db2.gz RZIXPPSWAMVABW-LLVKDONJSA-N 1 1 300.359 -2.188 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)s1 ZINC001410570997 925728790 /nfs/dbraw/zinc/72/87/90/925728790.db2.gz KBWRLHGZQOKBQI-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1cc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001410575536 925730520 /nfs/dbraw/zinc/73/05/20/925730520.db2.gz DOIAFPPTMGUAKU-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001410575536 925730527 /nfs/dbraw/zinc/73/05/27/925730527.db2.gz DOIAFPPTMGUAKU-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1conc1C ZINC001410578461 925730954 /nfs/dbraw/zinc/73/09/54/925730954.db2.gz JGOCGSSOHKHHPQ-JTQLQIEISA-N 1 1 300.315 -1.094 20 0 DAADMO Cc1cc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001410575540 925731655 /nfs/dbraw/zinc/73/16/55/925731655.db2.gz DOIAFPPTMGUAKU-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001410575540 925731662 /nfs/dbraw/zinc/73/16/62/925731662.db2.gz DOIAFPPTMGUAKU-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001410574456 925731751 /nfs/dbraw/zinc/73/17/51/925731751.db2.gz DPYVWAKIZJRQHC-VHSXEESVSA-N 1 1 311.342 -1.040 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410581355 925732417 /nfs/dbraw/zinc/73/24/17/925732417.db2.gz MLZTYAVMJAGLEV-MNOVXSKESA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410581355 925732422 /nfs/dbraw/zinc/73/24/22/925732422.db2.gz MLZTYAVMJAGLEV-MNOVXSKESA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001410579278 925733278 /nfs/dbraw/zinc/73/32/78/925733278.db2.gz SWTFFMFHCIDRAG-GFCCVEGCSA-N 1 1 321.381 -1.026 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)nnn1C ZINC001410578833 925733483 /nfs/dbraw/zinc/73/34/83/925733483.db2.gz JVACQXWYMRIBMD-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c1 ZINC001410590449 925737391 /nfs/dbraw/zinc/73/73/91/925737391.db2.gz OUGQVHCXHPRJCG-DGCLKSJQSA-N 1 1 322.365 -1.065 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)CCNC(N)=O ZINC001410598519 925738033 /nfs/dbraw/zinc/73/80/33/925738033.db2.gz WSIGQMMDESDLRJ-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001410610213 925738505 /nfs/dbraw/zinc/73/85/05/925738505.db2.gz BDNVYDBTMJWZMH-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@](C)(O)C1CC1 ZINC001410599265 925738578 /nfs/dbraw/zinc/73/85/78/925738578.db2.gz REDWCQKUSCHGNQ-FZMZJTMJSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001410599292 925738781 /nfs/dbraw/zinc/73/87/81/925738781.db2.gz REDWCQKUSCHGNQ-SMDDNHRTSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@](C)(O)C1CC1 ZINC001410599282 925739109 /nfs/dbraw/zinc/73/91/09/925739109.db2.gz REDWCQKUSCHGNQ-RISCZKNCSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001410605007 925739191 /nfs/dbraw/zinc/73/91/91/925739191.db2.gz XSNMSLLBKLVRDZ-WCQYABFASA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001410627655 925741964 /nfs/dbraw/zinc/74/19/64/925741964.db2.gz GRLFHEBUQUOUKU-ONGXEEELSA-N 1 1 309.326 -1.540 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001410633081 925742650 /nfs/dbraw/zinc/74/26/50/925742650.db2.gz BRIDYQBEKBGFSA-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)C)n[nH]1 ZINC001410624913 925742766 /nfs/dbraw/zinc/74/27/66/925742766.db2.gz OLWWCWFVYOGXMA-SNVBAGLBSA-N 1 1 312.374 -1.753 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C)ncn2)C1 ZINC001410636172 925744481 /nfs/dbraw/zinc/74/44/81/925744481.db2.gz UDSQIUWSEFYCTK-AWEZNQCLSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)n[nH]1 ZINC001410637815 925744772 /nfs/dbraw/zinc/74/47/72/925744772.db2.gz YKIUNFKEANEPDI-SNVBAGLBSA-N 1 1 310.358 -1.999 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C)ncn2)C1 ZINC001410636177 925745007 /nfs/dbraw/zinc/74/50/07/925745007.db2.gz UDSQIUWSEFYCTK-CQSZACIVSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1(F)CCOCC1 ZINC001410645619 925746486 /nfs/dbraw/zinc/74/64/86/925746486.db2.gz GRRARWGQOZLWCX-SNVBAGLBSA-N 1 1 315.349 -1.100 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)N[C@H]2CCCNC2=O)CCC1 ZINC001410665101 925753386 /nfs/dbraw/zinc/75/33/86/925753386.db2.gz WTWHRZOJCIYHSZ-RYUDHWBXSA-N 1 1 312.414 -1.184 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)cn1 ZINC001410677447 925754951 /nfs/dbraw/zinc/75/49/51/925754951.db2.gz YBMYNVSXKLFZES-AAEUAGOBSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001410679531 925755071 /nfs/dbraw/zinc/75/50/71/925755071.db2.gz OCWNZKQXRGJXDC-GHMZBOCLSA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 ZINC001410677468 925755594 /nfs/dbraw/zinc/75/55/94/925755594.db2.gz YBMYNVSXKLFZES-DGCLKSJQSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001410676227 925756124 /nfs/dbraw/zinc/75/61/24/925756124.db2.gz XKAAVSPWZVVIHU-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nc1 ZINC001410684387 925758304 /nfs/dbraw/zinc/75/83/04/925758304.db2.gz JQQVEWMJKFELBO-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001410706614 925761555 /nfs/dbraw/zinc/76/15/55/925761555.db2.gz IBCRYQNZXLJLPS-MNOVXSKESA-N 1 1 311.390 -1.739 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2[nH]nnc2C)nn1 ZINC001410714131 925762911 /nfs/dbraw/zinc/76/29/11/925762911.db2.gz WBLSCZSOMOOXSZ-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001410712750 925763164 /nfs/dbraw/zinc/76/31/64/925763164.db2.gz OGZGZQOFEFRODF-ZJUUUORDSA-N 1 1 316.383 -1.171 20 0 DAADMO Cc1noc(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001410715963 925765280 /nfs/dbraw/zinc/76/52/80/925765280.db2.gz ZMEPPHSDJAIRRS-SNVBAGLBSA-N 1 1 323.357 -1.294 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001410723940 925766662 /nfs/dbraw/zinc/76/66/62/925766662.db2.gz JWFNXOMUAHSENS-JQWIXIFHSA-N 1 1 300.403 -1.341 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001410724646 925767851 /nfs/dbraw/zinc/76/78/51/925767851.db2.gz LSWYJFLXRJVBQN-QWRGUYRKSA-N 1 1 321.337 -1.754 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754558 925770901 /nfs/dbraw/zinc/77/09/01/925770901.db2.gz OTMHBJOZYQYNLC-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754558 925770908 /nfs/dbraw/zinc/77/09/08/925770908.db2.gz OTMHBJOZYQYNLC-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410761805 925774062 /nfs/dbraw/zinc/77/40/62/925774062.db2.gz ZPMIRPMLCKNIJT-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1nnnn1C ZINC001410777996 925778996 /nfs/dbraw/zinc/77/89/96/925778996.db2.gz BXDBJGOACBYZJE-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001410781482 925780095 /nfs/dbraw/zinc/78/00/95/925780095.db2.gz DAOVBAFOPDUDJS-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410780994 925780575 /nfs/dbraw/zinc/78/05/75/925780575.db2.gz NDYLRJJAJSSEII-NSHDSACASA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(C(N)=O)c2)n1 ZINC001410783779 925780599 /nfs/dbraw/zinc/78/05/99/925780599.db2.gz JIEPOXMIECYDTF-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO Cn1[nH]c(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793982 925784901 /nfs/dbraw/zinc/78/49/01/925784901.db2.gz UXFDURQCWZDFEK-VHSXEESVSA-N 1 1 312.374 -2.373 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001410817469 925786707 /nfs/dbraw/zinc/78/67/07/925786707.db2.gz VYDIPYSSKSLBNZ-ZIAGYGMSSA-N 1 1 323.397 -1.002 20 0 DAADMO C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001410833703 925787724 /nfs/dbraw/zinc/78/77/24/925787724.db2.gz FOSKDJKJGOOFDJ-WPRPVWTQSA-N 1 1 308.342 -1.274 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001410925411 925793327 /nfs/dbraw/zinc/79/33/27/925793327.db2.gz NPCLRWOSWLFKDH-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001410925411 925793335 /nfs/dbraw/zinc/79/33/35/925793335.db2.gz NPCLRWOSWLFKDH-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001410907727 925794134 /nfs/dbraw/zinc/79/41/34/925794134.db2.gz BPSWQVBUMNYXPL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001410907727 925794141 /nfs/dbraw/zinc/79/41/41/925794141.db2.gz BPSWQVBUMNYXPL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001410945416 925795541 /nfs/dbraw/zinc/79/55/41/925795541.db2.gz CURGUZQGWXQEBX-VHSXEESVSA-N 1 1 324.389 -1.486 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1COCCO1 ZINC001410972423 925797617 /nfs/dbraw/zinc/79/76/17/925797617.db2.gz GLHHDWIKTRDDJX-GHMZBOCLSA-N 1 1 300.315 -1.606 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCNC(=O)C1 ZINC001410969090 925797630 /nfs/dbraw/zinc/79/76/30/925797630.db2.gz CUVNOQOPQJZJDH-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001410974484 925797788 /nfs/dbraw/zinc/79/77/88/925797788.db2.gz HMCIWKCYEDVVKH-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ccon1 ZINC001411014392 925802410 /nfs/dbraw/zinc/80/24/10/925802410.db2.gz SBTYGNPHIGNEKN-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNCc1nnn(C)n1 ZINC001411049239 925805424 /nfs/dbraw/zinc/80/54/24/925805424.db2.gz LTLWNDVKEYKLRH-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(C)on1 ZINC001411047158 925805907 /nfs/dbraw/zinc/80/59/07/925805907.db2.gz TTWBEJHKYBBQJT-NSHDSACASA-N 1 1 313.358 -1.179 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnco1)c1nnnn1C ZINC001411056037 925806464 /nfs/dbraw/zinc/80/64/64/925806464.db2.gz ABJIEFZDKLIQEH-DTWKUNHWSA-N 1 1 309.330 -1.018 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001411055329 925807507 /nfs/dbraw/zinc/80/75/07/925807507.db2.gz CNHQSRFQTSBMSG-GFCCVEGCSA-N 1 1 311.342 -1.543 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411062947 925807649 /nfs/dbraw/zinc/80/76/49/925807649.db2.gz FCYYHAHWJUMBMZ-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001411055501 925807735 /nfs/dbraw/zinc/80/77/35/925807735.db2.gz FAWKEGLYFBEWRS-LLVKDONJSA-N 1 1 322.373 -1.607 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]n2)nn1 ZINC001411072174 925808738 /nfs/dbraw/zinc/80/87/38/925808738.db2.gz VNSGOHRMFVOVKX-JTQLQIEISA-N 1 1 308.346 -1.361 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)c1c[nH]c(=O)cn1 ZINC001411076789 925808931 /nfs/dbraw/zinc/80/89/31/925808931.db2.gz BMYNODNMXCBTIK-SNVBAGLBSA-N 1 1 318.337 -1.217 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC1(F)F ZINC001411078172 925809052 /nfs/dbraw/zinc/80/90/52/925809052.db2.gz VOGNIDXUAVGVAN-YUMQZZPRSA-N 1 1 304.301 -1.226 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)c1c[nH]c(=O)cn1 ZINC001411090905 925810614 /nfs/dbraw/zinc/81/06/14/925810614.db2.gz NXVUCPWMVLGAJB-JTQLQIEISA-N 1 1 307.310 -1.019 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1c[nH]c(=O)n1C ZINC001411091185 925811578 /nfs/dbraw/zinc/81/15/78/925811578.db2.gz JGKWYMFXZZQAME-JTQLQIEISA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001411107138 925813998 /nfs/dbraw/zinc/81/39/98/925813998.db2.gz XMDAYNRULBWWKG-AXFHLTTASA-N 1 1 310.358 -2.155 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1 ZINC001411134345 925817906 /nfs/dbraw/zinc/81/79/06/925817906.db2.gz CEBONVFAKJKEKU-LBPRGKRZSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC001411134345 925817914 /nfs/dbraw/zinc/81/79/14/925817914.db2.gz CEBONVFAKJKEKU-LBPRGKRZSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001411136046 925818519 /nfs/dbraw/zinc/81/85/19/925818519.db2.gz YDVPHBLQTHSEJX-SFYZADRCSA-N 1 1 324.328 -1.024 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1nnc[nH]1 ZINC001411137386 925819289 /nfs/dbraw/zinc/81/92/89/925819289.db2.gz FKTKUTIEOKZYPP-SECBINFHSA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001411146852 925819750 /nfs/dbraw/zinc/81/97/50/925819750.db2.gz GAUWSXBRYKGWGO-NWDGAFQWSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001411146852 925819764 /nfs/dbraw/zinc/81/97/64/925819764.db2.gz GAUWSXBRYKGWGO-NWDGAFQWSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccc(=O)[nH]c1 ZINC001411145123 925820511 /nfs/dbraw/zinc/82/05/11/925820511.db2.gz RBSOWRUSOTZFKO-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001411161631 925822063 /nfs/dbraw/zinc/82/20/63/925822063.db2.gz GMFLXSZLHHFGNZ-UWVGGRQHSA-N 1 1 301.347 -1.823 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2n[nH]nc21 ZINC001411160121 925822630 /nfs/dbraw/zinc/82/26/30/925822630.db2.gz CSWGQCOAGRUMBS-SECBINFHSA-N 1 1 308.342 -1.290 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)nnn1C ZINC001411151657 925823005 /nfs/dbraw/zinc/82/30/05/925823005.db2.gz NPRRCHSAACTQMM-UWVGGRQHSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)nnn1C ZINC001411151657 925823012 /nfs/dbraw/zinc/82/30/12/925823012.db2.gz NPRRCHSAACTQMM-UWVGGRQHSA-N 1 1 312.374 -1.638 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163480 925823644 /nfs/dbraw/zinc/82/36/44/925823644.db2.gz QOHUURFORRVCJQ-JQWIXIFHSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163480 925823648 /nfs/dbraw/zinc/82/36/48/925823648.db2.gz QOHUURFORRVCJQ-JQWIXIFHSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1c[nH]cn1 ZINC001411163891 925823756 /nfs/dbraw/zinc/82/37/56/925823756.db2.gz AAAHOBDXLWQFEW-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163501 925824461 /nfs/dbraw/zinc/82/44/61/925824461.db2.gz QOHUURFORRVCJQ-ZYHUDNBSSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163501 925824470 /nfs/dbraw/zinc/82/44/70/925824470.db2.gz QOHUURFORRVCJQ-ZYHUDNBSSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccnn1C ZINC001411170674 925824532 /nfs/dbraw/zinc/82/45/32/925824532.db2.gz RAAWNRVBIZTAHO-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccnn1C ZINC001411170674 925824540 /nfs/dbraw/zinc/82/45/40/925824540.db2.gz RAAWNRVBIZTAHO-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411169166 925824894 /nfs/dbraw/zinc/82/48/94/925824894.db2.gz HCUNDBSOVYLAEB-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411169166 925824906 /nfs/dbraw/zinc/82/49/06/925824906.db2.gz HCUNDBSOVYLAEB-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c[nH]1 ZINC001411167776 925825281 /nfs/dbraw/zinc/82/52/81/925825281.db2.gz PTBMUJXPRMEPGA-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411167294 925825698 /nfs/dbraw/zinc/82/56/98/925825698.db2.gz GJXCCXBSEDNEIR-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411167294 925825708 /nfs/dbraw/zinc/82/57/08/925825708.db2.gz GJXCCXBSEDNEIR-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176832 925826608 /nfs/dbraw/zinc/82/66/08/925826608.db2.gz GBKCVPHIPCLLHB-JQWIXIFHSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176832 925826612 /nfs/dbraw/zinc/82/66/12/925826612.db2.gz GBKCVPHIPCLLHB-JQWIXIFHSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176833 925826703 /nfs/dbraw/zinc/82/67/03/925826703.db2.gz GBKCVPHIPCLLHB-PWSUYJOCSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176833 925826711 /nfs/dbraw/zinc/82/67/11/925826711.db2.gz GBKCVPHIPCLLHB-PWSUYJOCSA-N 1 1 311.386 -1.033 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177465 925826839 /nfs/dbraw/zinc/82/68/39/925826839.db2.gz BSZHYPQEGZCAST-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177465 925826846 /nfs/dbraw/zinc/82/68/46/925826846.db2.gz BSZHYPQEGZCAST-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CCn1ccc(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001411171483 925826968 /nfs/dbraw/zinc/82/69/68/925826968.db2.gz QIJKDSVZGCRZRN-GFCCVEGCSA-N 1 1 311.386 -1.318 20 0 DAADMO CCn1ccc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001411171483 925826977 /nfs/dbraw/zinc/82/69/77/925826977.db2.gz QIJKDSVZGCRZRN-GFCCVEGCSA-N 1 1 311.386 -1.318 20 0 DAADMO CN(C[C@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177623 925828014 /nfs/dbraw/zinc/82/80/14/925828014.db2.gz DBPZLRKZWAMTMX-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411176007 925828080 /nfs/dbraw/zinc/82/80/80/925828080.db2.gz QIHUNCGUEUZNQV-JTQLQIEISA-N 1 1 312.374 -1.386 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411176007 925828086 /nfs/dbraw/zinc/82/80/86/925828086.db2.gz QIHUNCGUEUZNQV-JTQLQIEISA-N 1 1 312.374 -1.386 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c(C)n1 ZINC001411176930 925828137 /nfs/dbraw/zinc/82/81/37/925828137.db2.gz HSLLGVHWZUYFQV-LLVKDONJSA-N 1 1 309.370 -1.057 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c(C)n1 ZINC001411176930 925828138 /nfs/dbraw/zinc/82/81/38/925828138.db2.gz HSLLGVHWZUYFQV-LLVKDONJSA-N 1 1 309.370 -1.057 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1ncn(C)n1 ZINC001411171388 925828227 /nfs/dbraw/zinc/82/82/27/925828227.db2.gz KUJQUANOASRVAB-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1ncn(C)n1 ZINC001411171388 925828232 /nfs/dbraw/zinc/82/82/32/925828232.db2.gz KUJQUANOASRVAB-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnon1 ZINC001411176821 925828439 /nfs/dbraw/zinc/82/84/39/925828439.db2.gz FWCLKJSMSXTQPW-JTQLQIEISA-N 1 1 309.330 -1.274 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001411172642 925828553 /nfs/dbraw/zinc/82/85/53/925828553.db2.gz XJBWDTWQRAQDKT-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001411172642 925828561 /nfs/dbraw/zinc/82/85/61/925828561.db2.gz XJBWDTWQRAQDKT-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCNC1=O ZINC001411171050 925828878 /nfs/dbraw/zinc/82/88/78/925828878.db2.gz XAXZNKWPRVRJIZ-LLVKDONJSA-N 1 1 302.375 -1.855 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1cc(C2CC2)cn1 ZINC001411173058 925828904 /nfs/dbraw/zinc/82/89/04/925828904.db2.gz ZUDQNGIPMHBOFS-ZDUSSCGKSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1cc(C2CC2)cn1 ZINC001411173058 925828912 /nfs/dbraw/zinc/82/89/12/925828912.db2.gz ZUDQNGIPMHBOFS-ZDUSSCGKSA-N 1 1 323.397 -1.003 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001411186063 925829734 /nfs/dbraw/zinc/82/97/34/925829734.db2.gz CWRCSITWBJEXED-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001411186063 925829743 /nfs/dbraw/zinc/82/97/43/925829743.db2.gz CWRCSITWBJEXED-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nn1 ZINC001411183615 925829764 /nfs/dbraw/zinc/82/97/64/925829764.db2.gz WBKPVQNKXFOQEQ-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nn1 ZINC001411183615 925829776 /nfs/dbraw/zinc/82/97/76/925829776.db2.gz WBKPVQNKXFOQEQ-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001411188224 925830593 /nfs/dbraw/zinc/83/05/93/925830593.db2.gz GAGUWNZMMOTAKD-FZMZJTMJSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182459 925830731 /nfs/dbraw/zinc/83/07/31/925830731.db2.gz TXQVVTSBDAIKCD-ZJUUUORDSA-N 1 1 312.374 -1.767 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182459 925830739 /nfs/dbraw/zinc/83/07/39/925830739.db2.gz TXQVVTSBDAIKCD-ZJUUUORDSA-N 1 1 312.374 -1.767 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCCO)C(=O)CN1CCNC(=O)C1 ZINC001411200420 925830785 /nfs/dbraw/zinc/83/07/85/925830785.db2.gz XLUBNCSANZWWPW-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)CN1CCNC(=O)C1 ZINC001411198551 925830884 /nfs/dbraw/zinc/83/08/84/925830884.db2.gz IGJXYLWXHDKBTB-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001411198182 925831131 /nfs/dbraw/zinc/83/11/31/925831131.db2.gz FBUBQTMBPRUJHI-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001411198182 925831143 /nfs/dbraw/zinc/83/11/43/925831143.db2.gz FBUBQTMBPRUJHI-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001411188201 925831163 /nfs/dbraw/zinc/83/11/63/925831163.db2.gz ZEEDNOYPDHEXSB-SECBINFHSA-N 1 1 311.342 -1.659 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001411188201 925831171 /nfs/dbraw/zinc/83/11/71/925831171.db2.gz ZEEDNOYPDHEXSB-SECBINFHSA-N 1 1 311.342 -1.659 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180023 925831196 /nfs/dbraw/zinc/83/11/96/925831196.db2.gz NBSCCTXBZDDPTC-NXEZZACHSA-N 1 1 313.362 -2.312 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180023 925831205 /nfs/dbraw/zinc/83/12/05/925831205.db2.gz NBSCCTXBZDDPTC-NXEZZACHSA-N 1 1 313.362 -2.312 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)C(C)C ZINC001411183367 925831556 /nfs/dbraw/zinc/83/15/56/925831556.db2.gz WKFUMROJWOLYDX-DGCLKSJQSA-N 1 1 316.402 -1.617 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)C(C)C ZINC001411183367 925831566 /nfs/dbraw/zinc/83/15/66/925831566.db2.gz WKFUMROJWOLYDX-DGCLKSJQSA-N 1 1 316.402 -1.617 20 0 DAADMO COc1ncccc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001411192075 925831722 /nfs/dbraw/zinc/83/17/22/925831722.db2.gz SBJIDJAECHIVSL-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ncccc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001411192075 925831732 /nfs/dbraw/zinc/83/17/32/925831732.db2.gz SBJIDJAECHIVSL-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001411191739 925831756 /nfs/dbraw/zinc/83/17/56/925831756.db2.gz QYRMWWMWBPSHCX-JTQLQIEISA-N 1 1 312.370 -1.139 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001411184990 925831909 /nfs/dbraw/zinc/83/19/09/925831909.db2.gz YICLCDDRQXIJJP-HIFRSBDPSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001411192473 925832054 /nfs/dbraw/zinc/83/20/54/925832054.db2.gz ZZBACVZYFZNDPU-IUCAKERBSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001411192473 925832066 /nfs/dbraw/zinc/83/20/66/925832066.db2.gz ZZBACVZYFZNDPU-IUCAKERBSA-N 1 1 322.387 -3.086 20 0 DAADMO COc1ncccc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001411192076 925832194 /nfs/dbraw/zinc/83/21/94/925832194.db2.gz SBJIDJAECHIVSL-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ncccc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001411192076 925832206 /nfs/dbraw/zinc/83/22/06/925832206.db2.gz SBJIDJAECHIVSL-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)C1 ZINC001411192302 925832246 /nfs/dbraw/zinc/83/22/46/925832246.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)C1 ZINC001411192302 925832257 /nfs/dbraw/zinc/83/22/57/925832257.db2.gz YVFLWPDICAVLNB-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO COCC[N@H+](CCNC(=O)CNC(=O)OC)[C@@H]1CCNC1=O ZINC001411216603 925832859 /nfs/dbraw/zinc/83/28/59/925832859.db2.gz MHVDMYBQKAKEGF-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO COCC[N@@H+](CCNC(=O)CNC(=O)OC)[C@@H]1CCNC1=O ZINC001411216603 925832872 /nfs/dbraw/zinc/83/28/72/925832872.db2.gz MHVDMYBQKAKEGF-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C[C@H](C)O ZINC001411216465 925834177 /nfs/dbraw/zinc/83/41/77/925834177.db2.gz NXEVSHFNUQGPKN-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CC([NH2+]Cc2ncnn2C)C1 ZINC001411239234 925834755 /nfs/dbraw/zinc/83/47/55/925834755.db2.gz PXFBZMOYHSWNDU-UHFFFAOYSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001411493251 925841540 /nfs/dbraw/zinc/84/15/40/925841540.db2.gz NYGFEQHTINGCLV-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001411493278 925841734 /nfs/dbraw/zinc/84/17/34/925841734.db2.gz NYGFEQHTINGCLV-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001411492226 925842187 /nfs/dbraw/zinc/84/21/87/925842187.db2.gz MCPLNHOTBNQYNH-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001411527105 925844725 /nfs/dbraw/zinc/84/47/25/925844725.db2.gz CFXPHUJYZFPKMN-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001411565045 925846513 /nfs/dbraw/zinc/84/65/13/925846513.db2.gz QSENWMFXTVXADU-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411642401 925848774 /nfs/dbraw/zinc/84/87/74/925848774.db2.gz QFBXXIRPOFVPPB-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001411642400 925848871 /nfs/dbraw/zinc/84/88/71/925848871.db2.gz QFBXXIRPOFVPPB-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001411670664 925850890 /nfs/dbraw/zinc/85/08/90/925850890.db2.gz QCYCDXKJZOBZEM-SECBINFHSA-N 1 1 323.353 -1.494 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001411708104 925852154 /nfs/dbraw/zinc/85/21/54/925852154.db2.gz POUHPBKLPDXYMW-SNVBAGLBSA-N 1 1 307.358 -1.236 20 0 DAADMO O=C(C[NH+]1CCCC1)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001411756216 925855274 /nfs/dbraw/zinc/85/52/74/925855274.db2.gz CHWKTSGZMFAJRL-UHFFFAOYSA-N 1 1 322.369 -1.406 20 0 DAADMO CC(C)N1CC[NH+](CCC(=O)N(CC(N)=O)CC(N)=O)CC1 ZINC001411760162 925856040 /nfs/dbraw/zinc/85/60/40/925856040.db2.gz YTDYGYLGLFTSOF-UHFFFAOYSA-N 1 1 313.402 -1.798 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CCCS(N)(=O)=O)CC1 ZINC001411782710 925857548 /nfs/dbraw/zinc/85/75/48/925857548.db2.gz VETPOICSPXTALD-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001411786826 925858584 /nfs/dbraw/zinc/85/85/84/925858584.db2.gz RYDXTZONAOIELK-NWDGAFQWSA-N 1 1 320.459 -1.078 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)C1 ZINC001412060155 925870806 /nfs/dbraw/zinc/87/08/06/925870806.db2.gz ZXJSBCFGKCTQIX-UHFFFAOYSA-N 1 1 323.401 -1.497 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC001412093956 925872327 /nfs/dbraw/zinc/87/23/27/925872327.db2.gz RWXDTORTCNRUGI-ZJUUUORDSA-N 1 1 301.343 -1.776 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC001412093956 925872337 /nfs/dbraw/zinc/87/23/37/925872337.db2.gz RWXDTORTCNRUGI-ZJUUUORDSA-N 1 1 301.343 -1.776 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001412105014 925872788 /nfs/dbraw/zinc/87/27/88/925872788.db2.gz BBDGUDIWMJHACX-ZJUUUORDSA-N 1 1 303.384 -1.525 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC001412093954 925873145 /nfs/dbraw/zinc/87/31/45/925873145.db2.gz RWXDTORTCNRUGI-VHSXEESVSA-N 1 1 301.343 -1.776 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC001412093954 925873153 /nfs/dbraw/zinc/87/31/53/925873153.db2.gz RWXDTORTCNRUGI-VHSXEESVSA-N 1 1 301.343 -1.776 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001412228406 925880656 /nfs/dbraw/zinc/88/06/56/925880656.db2.gz WRLAJXDRQZQZIH-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001412228406 925880664 /nfs/dbraw/zinc/88/06/64/925880664.db2.gz WRLAJXDRQZQZIH-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001412227916 925880723 /nfs/dbraw/zinc/88/07/23/925880723.db2.gz RRGNJYQEHRNFIT-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001412227916 925880731 /nfs/dbraw/zinc/88/07/31/925880731.db2.gz RRGNJYQEHRNFIT-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](CO)NC(N)=O)C1 ZINC001412296082 925886113 /nfs/dbraw/zinc/88/61/13/925886113.db2.gz BQLUJQMAHIZTMW-NSHDSACASA-N 1 1 318.374 -2.179 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001412389027 925889791 /nfs/dbraw/zinc/88/97/91/925889791.db2.gz SIAATYJZOLHQCL-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC001412377033 925889855 /nfs/dbraw/zinc/88/98/55/925889855.db2.gz FAYGTBXHLITDFP-NSHDSACASA-N 1 1 322.369 -1.565 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001412380275 925890586 /nfs/dbraw/zinc/89/05/86/925890586.db2.gz NWUFSUQVIMTVQP-LLVKDONJSA-N 1 1 317.411 -1.135 20 0 DAADMO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC001412399600 925892296 /nfs/dbraw/zinc/89/22/96/925892296.db2.gz LJGKANBWYAFCGY-VWYCJHECSA-N 1 1 311.386 -2.333 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412453638 925899441 /nfs/dbraw/zinc/89/94/41/925899441.db2.gz AHHVYEBRJIOWMB-CQSZACIVSA-N 1 1 321.337 -2.037 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC001412463991 925899578 /nfs/dbraw/zinc/89/95/78/925899578.db2.gz VITGNAIYPQZGFQ-CQSZACIVSA-N 1 1 309.322 -1.051 20 0 DAADMO COc1cc(OC)nc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001412467580 925900896 /nfs/dbraw/zinc/90/08/96/925900896.db2.gz WIRZWJBOWSVWSS-CYBMUJFWSA-N 1 1 312.326 -1.426 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001412466583 925900940 /nfs/dbraw/zinc/90/09/40/925900940.db2.gz SHFLDXWDZORDSM-RNCFNFMXSA-N 1 1 302.375 -1.464 20 0 DAADMO O=C(C[C@@H]1C=CS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465501 925900955 /nfs/dbraw/zinc/90/09/55/925900955.db2.gz MKSTVOIVUAWYLJ-JQWIXIFHSA-N 1 1 304.368 -1.598 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001412479199 925901310 /nfs/dbraw/zinc/90/13/10/925901310.db2.gz RKWZARKSGDBRLC-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001412532616 925907211 /nfs/dbraw/zinc/90/72/11/925907211.db2.gz LGHKAQPKWKDFHF-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001412532616 925907218 /nfs/dbraw/zinc/90/72/18/925907218.db2.gz LGHKAQPKWKDFHF-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001412526320 925907305 /nfs/dbraw/zinc/90/73/05/925907305.db2.gz BRCLOPQUMTUZTB-VIFPVBQESA-N 1 1 301.347 -2.704 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCc2nnc3n2CCN(C)C3=O)C1 ZINC001412546020 925909359 /nfs/dbraw/zinc/90/93/59/925909359.db2.gz PBTYMYAMFFOXRC-JTQLQIEISA-N 1 1 322.369 -1.299 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCc2nnc3n2CCN(C)C3=O)C1 ZINC001412546020 925909362 /nfs/dbraw/zinc/90/93/62/925909362.db2.gz PBTYMYAMFFOXRC-JTQLQIEISA-N 1 1 322.369 -1.299 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)C1 ZINC001412579690 925912920 /nfs/dbraw/zinc/91/29/20/925912920.db2.gz UCBRINQAGRWAKG-RYUDHWBXSA-N 1 1 313.402 -1.746 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2nnc3c(=O)[nH]ccn23)C1 ZINC001412614381 925916572 /nfs/dbraw/zinc/91/65/72/925916572.db2.gz SJOOKTHSDWRHIK-JTQLQIEISA-N 1 1 320.353 -1.203 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCc2nnc3c(=O)[nH]ccn23)C1 ZINC001412614381 925916582 /nfs/dbraw/zinc/91/65/82/925916582.db2.gz SJOOKTHSDWRHIK-JTQLQIEISA-N 1 1 320.353 -1.203 20 0 DAADMO C[NH+](C)CCN(C(=O)CCC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001412629349 925918179 /nfs/dbraw/zinc/91/81/79/925918179.db2.gz NKQUDGGFRRWGOS-SNVBAGLBSA-N 1 1 305.400 -1.171 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(=O)NCCO)cn1 ZINC001412660576 925920977 /nfs/dbraw/zinc/92/09/77/925920977.db2.gz BFTKCEQTTBQQAL-CHWSQXEVSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001412659846 925922073 /nfs/dbraw/zinc/92/20/73/925922073.db2.gz CQRVACMRIQSKGB-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001412723980 925927600 /nfs/dbraw/zinc/92/76/00/925927600.db2.gz JHAZSSDYXCKFQR-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412733562 925929452 /nfs/dbraw/zinc/92/94/52/925929452.db2.gz RHDZJCJECDVTQG-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412733562 925929459 /nfs/dbraw/zinc/92/94/59/925929459.db2.gz RHDZJCJECDVTQG-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412733557 925929525 /nfs/dbraw/zinc/92/95/25/925929525.db2.gz RHDZJCJECDVTQG-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412733557 925929530 /nfs/dbraw/zinc/92/95/30/925929530.db2.gz RHDZJCJECDVTQG-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412737500 925929920 /nfs/dbraw/zinc/92/99/20/925929920.db2.gz LINZIKSWMZRWCV-YUSALJHKSA-N 1 1 314.386 -1.944 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412733565 925930059 /nfs/dbraw/zinc/93/00/59/925930059.db2.gz RHDZJCJECDVTQG-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412733565 925930066 /nfs/dbraw/zinc/93/00/66/925930066.db2.gz RHDZJCJECDVTQG-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412761777 925937609 /nfs/dbraw/zinc/93/76/09/925937609.db2.gz LRBOGHSCTZPTIR-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412761777 925937617 /nfs/dbraw/zinc/93/76/17/925937617.db2.gz LRBOGHSCTZPTIR-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001412757911 925937713 /nfs/dbraw/zinc/93/77/13/925937713.db2.gz SXUGICSVRJZZEX-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001412765710 925938953 /nfs/dbraw/zinc/93/89/53/925938953.db2.gz AWFAHOBDMLSTOV-DCAQKATOSA-N 1 1 310.354 -1.358 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001412776647 925942128 /nfs/dbraw/zinc/94/21/28/925942128.db2.gz UJSCLPIAXHWROC-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cccn1 ZINC001412797951 925949924 /nfs/dbraw/zinc/94/99/24/925949924.db2.gz OVLGGFJXNNVQCR-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O ZINC001412792988 925949996 /nfs/dbraw/zinc/94/99/96/925949996.db2.gz KQZNJPHYXHBHNQ-GHMZBOCLSA-N 1 1 301.387 -1.165 20 0 DAADMO CO[C@]1(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795212 925950305 /nfs/dbraw/zinc/95/03/05/925950305.db2.gz MXEZKRZXLOWHEQ-NWDGAFQWSA-N 1 1 306.384 -1.627 20 0 DAADMO CO[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795212 925950312 /nfs/dbraw/zinc/95/03/12/925950312.db2.gz MXEZKRZXLOWHEQ-NWDGAFQWSA-N 1 1 306.384 -1.627 20 0 DAADMO CO[C@@]1(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795224 925950574 /nfs/dbraw/zinc/95/05/74/925950574.db2.gz MXEZKRZXLOWHEQ-RYUDHWBXSA-N 1 1 306.384 -1.627 20 0 DAADMO CO[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795224 925950582 /nfs/dbraw/zinc/95/05/82/925950582.db2.gz MXEZKRZXLOWHEQ-RYUDHWBXSA-N 1 1 306.384 -1.627 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001412800479 925951118 /nfs/dbraw/zinc/95/11/18/925951118.db2.gz QRAMMPQHSXPIRZ-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCCF)C1 ZINC001412801558 925951423 /nfs/dbraw/zinc/95/14/23/925951423.db2.gz DOPWMBDAAKLFNY-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCCF)C1 ZINC001412801558 925951431 /nfs/dbraw/zinc/95/14/31/925951431.db2.gz DOPWMBDAAKLFNY-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001412803587 925952921 /nfs/dbraw/zinc/95/29/21/925952921.db2.gz SDBDSYQLCYUDLM-YPMHNXCESA-N 1 1 323.397 -1.350 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001412806602 925953650 /nfs/dbraw/zinc/95/36/50/925953650.db2.gz HQUANIZEGKTFIS-WISYIIOYSA-N 1 1 321.385 -1.366 20 0 DAADMO Cn1cncc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001412802613 925953802 /nfs/dbraw/zinc/95/38/02/925953802.db2.gz SDBDSYQLCYUDLM-AAEUAGOBSA-N 1 1 323.397 -1.350 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412807592 925954774 /nfs/dbraw/zinc/95/47/74/925954774.db2.gz UWKXUFRASRRIIH-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001412809670 925955364 /nfs/dbraw/zinc/95/53/64/925955364.db2.gz VXZPZWOZQQMMLQ-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001412827995 925959487 /nfs/dbraw/zinc/95/94/87/925959487.db2.gz KSUURPFHHCDKCV-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001412828000 925960013 /nfs/dbraw/zinc/96/00/13/925960013.db2.gz KSUURPFHHCDKCV-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2nccnc2N)C1 ZINC001412842521 925964043 /nfs/dbraw/zinc/96/40/43/925964043.db2.gz HPOAAEMOVYZHGS-UWVGGRQHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2nccnc2N)C1 ZINC001412842515 925964382 /nfs/dbraw/zinc/96/43/82/925964382.db2.gz HPOAAEMOVYZHGS-NXEZZACHSA-N 1 1 322.369 -1.783 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001412843553 925965896 /nfs/dbraw/zinc/96/58/96/925965896.db2.gz ZXEWGAYBYYLXIL-ZJUUUORDSA-N 1 1 310.358 -1.884 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412848376 925966523 /nfs/dbraw/zinc/96/65/23/925966523.db2.gz NQWMFJNUTQXTGX-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1nccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001412852172 925967613 /nfs/dbraw/zinc/96/76/13/925967613.db2.gz GEVIUUWWNTWXSU-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001412852674 925968041 /nfs/dbraw/zinc/96/80/41/925968041.db2.gz POFFYJYKZJLMMG-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852674 925968048 /nfs/dbraw/zinc/96/80/48/925968048.db2.gz POFFYJYKZJLMMG-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852674 925968053 /nfs/dbraw/zinc/96/80/53/925968053.db2.gz POFFYJYKZJLMMG-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1nccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001412852200 925968303 /nfs/dbraw/zinc/96/83/03/925968303.db2.gz GEVIUUWWNTWXSU-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2nnc[nH]2)C1 ZINC001412854859 925969125 /nfs/dbraw/zinc/96/91/25/925969125.db2.gz WJOOGNAXCNLSAR-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854859 925969131 /nfs/dbraw/zinc/96/91/31/925969131.db2.gz WJOOGNAXCNLSAR-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854859 925969140 /nfs/dbraw/zinc/96/91/40/925969140.db2.gz WJOOGNAXCNLSAR-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412857583 925969484 /nfs/dbraw/zinc/96/94/84/925969484.db2.gz JOJOQZXDESBEOW-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)C2 ZINC001412861841 925970715 /nfs/dbraw/zinc/97/07/15/925970715.db2.gz ZTHAPNMQHSHEOH-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCOC)C1 ZINC001412870829 925972436 /nfs/dbraw/zinc/97/24/36/925972436.db2.gz RGORLEQAONJBPY-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCOC)C1 ZINC001412870829 925972446 /nfs/dbraw/zinc/97/24/46/925972446.db2.gz RGORLEQAONJBPY-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001412881916 925976087 /nfs/dbraw/zinc/97/60/87/925976087.db2.gz OEWUBQRNFWCKEK-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001412884198 925976406 /nfs/dbraw/zinc/97/64/06/925976406.db2.gz RHQBFGRRTAXQHW-SNVBAGLBSA-N 1 1 318.374 -1.724 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001412890374 925976813 /nfs/dbraw/zinc/97/68/13/925976813.db2.gz AJPJKFFPCZPOMQ-KOLCDFICSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001412884324 925976989 /nfs/dbraw/zinc/97/69/89/925976989.db2.gz RSTWNFXAZMVGGR-NSHDSACASA-N 1 1 315.370 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001412904038 925979289 /nfs/dbraw/zinc/97/92/89/925979289.db2.gz GNGLDDADXZSOHF-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001412904047 925979794 /nfs/dbraw/zinc/97/97/94/925979794.db2.gz GNGLDDADXZSOHF-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412905055 925980059 /nfs/dbraw/zinc/98/00/59/925980059.db2.gz HUOQCAUDNOOONE-AAEUAGOBSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cncn1 ZINC001412930288 925985939 /nfs/dbraw/zinc/98/59/39/925985939.db2.gz DRZXSWWPXBAJNY-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001412927353 925986627 /nfs/dbraw/zinc/98/66/27/925986627.db2.gz UZMJXQNXXPQGDG-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001412930405 925986781 /nfs/dbraw/zinc/98/67/81/925986781.db2.gz DXBKXOWLRDLJMK-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001412942524 925988207 /nfs/dbraw/zinc/98/82/07/925988207.db2.gz YVHCUPHFJKAKJO-HBNTYKKESA-N 1 1 312.370 -2.048 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001412955579 925991035 /nfs/dbraw/zinc/99/10/35/925991035.db2.gz IVPBVGFMWMCHJE-KVSVUVNWSA-N 1 1 311.382 -1.576 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001412957096 925993440 /nfs/dbraw/zinc/99/34/40/925993440.db2.gz NTRQTAQHXRDXDQ-WDEREUQCSA-N 1 1 324.385 -1.543 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)[nH]n1 ZINC001412976813 925997371 /nfs/dbraw/zinc/99/73/71/925997371.db2.gz WYXSXXHWURMJGK-LBPRGKRZSA-N 1 1 311.386 -1.194 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001412979594 925997502 /nfs/dbraw/zinc/99/75/02/925997502.db2.gz TWTCJHYCBVHFMR-GXTWGEPZSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001412979594 925997511 /nfs/dbraw/zinc/99/75/11/925997511.db2.gz TWTCJHYCBVHFMR-GXTWGEPZSA-N 1 1 313.398 -1.211 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001413013447 926002357 /nfs/dbraw/zinc/00/23/57/926002357.db2.gz UHQGLOZVCJUIOC-QWRGUYRKSA-N 1 1 310.358 -2.034 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001413005459 926002854 /nfs/dbraw/zinc/00/28/54/926002854.db2.gz IXOUMHGNGSAGQD-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001413015852 926004488 /nfs/dbraw/zinc/00/44/88/926004488.db2.gz QAILWHYRPHQIPG-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001413039946 926005200 /nfs/dbraw/zinc/00/52/00/926005200.db2.gz UNEWYMDTSRSIMI-UWVGGRQHSA-N 1 1 319.383 -2.528 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001413053768 926006646 /nfs/dbraw/zinc/00/66/46/926006646.db2.gz OSBZGTWYPOCSRG-YNEHKIRRSA-N 1 1 322.427 -1.240 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001413057475 926007217 /nfs/dbraw/zinc/00/72/17/926007217.db2.gz IXIPTEMXIYUVCT-LBPRGKRZSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001413057441 926007696 /nfs/dbraw/zinc/00/76/96/926007696.db2.gz IXIPTEMXIYUVCT-GFCCVEGCSA-N 1 1 314.386 -1.271 20 0 DAADMO CNS(=O)(=O)CC[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001413061713 926008583 /nfs/dbraw/zinc/00/85/83/926008583.db2.gz QMDQSRGAJBVOCH-UHFFFAOYSA-N 1 1 303.388 -1.352 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001413095687 926011862 /nfs/dbraw/zinc/01/18/62/926011862.db2.gz PFWMVAFDAGCBMG-NWDGAFQWSA-N 1 1 302.371 -1.069 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001413226462 926019497 /nfs/dbraw/zinc/01/94/97/926019497.db2.gz PBJYLDYNGJOZTK-XQQFMLRXSA-N 1 1 310.354 -1.873 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413265294 926024661 /nfs/dbraw/zinc/02/46/61/926024661.db2.gz LCYPHOXLKDDAIY-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413262272 926024850 /nfs/dbraw/zinc/02/48/50/926024850.db2.gz HJHIIBLXSYMTPX-RYUDHWBXSA-N 1 1 324.385 -1.835 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001413312001 926033600 /nfs/dbraw/zinc/03/36/00/926033600.db2.gz XBXRWWGAKGRYMZ-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001413328760 926037226 /nfs/dbraw/zinc/03/72/26/926037226.db2.gz AGOTTWGNBNRWAJ-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328760 926037234 /nfs/dbraw/zinc/03/72/34/926037234.db2.gz AGOTTWGNBNRWAJ-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328760 926037244 /nfs/dbraw/zinc/03/72/44/926037244.db2.gz AGOTTWGNBNRWAJ-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001413330029 926037492 /nfs/dbraw/zinc/03/74/92/926037492.db2.gz DNNKGBOLWJOGHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330029 926037499 /nfs/dbraw/zinc/03/74/99/926037499.db2.gz DNNKGBOLWJOGHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330029 926037507 /nfs/dbraw/zinc/03/75/07/926037507.db2.gz DNNKGBOLWJOGHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330029 926037514 /nfs/dbraw/zinc/03/75/14/926037514.db2.gz DNNKGBOLWJOGHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330029 926037521 /nfs/dbraw/zinc/03/75/21/926037521.db2.gz DNNKGBOLWJOGHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1cnc[nH]1 ZINC001413341240 926039025 /nfs/dbraw/zinc/03/90/25/926039025.db2.gz QCNYFNWFNYFQHD-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cncn1 ZINC001413355925 926041785 /nfs/dbraw/zinc/04/17/85/926041785.db2.gz LAUVQXNINSTACF-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001413363834 926044188 /nfs/dbraw/zinc/04/41/88/926044188.db2.gz MXCILBXULCVHBR-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001413363834 926044198 /nfs/dbraw/zinc/04/41/98/926044198.db2.gz MXCILBXULCVHBR-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO CC[C@@H](O)Cn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001413378857 926046350 /nfs/dbraw/zinc/04/63/50/926046350.db2.gz OQHUOOPETNFBKW-LLVKDONJSA-N 1 1 324.385 -1.272 20 0 DAADMO CC[C@@H](O)Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)nn1 ZINC001413417778 926051139 /nfs/dbraw/zinc/05/11/39/926051139.db2.gz DVDWNGBJEQKBAA-MFKMUULPSA-N 1 1 313.358 -1.870 20 0 DAADMO COC(=O)c1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n(C)n1 ZINC001413421581 926051367 /nfs/dbraw/zinc/05/13/67/926051367.db2.gz MMYXFKAPLZUJRH-ZDUSSCGKSA-N 1 1 312.326 -1.713 20 0 DAADMO COC(=O)c1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n(C)n1 ZINC001413421575 926051998 /nfs/dbraw/zinc/05/19/98/926051998.db2.gz MMYXFKAPLZUJRH-CYBMUJFWSA-N 1 1 312.326 -1.713 20 0 DAADMO CNc1nnc(CC(=O)NC[C@]2(CO)COCC[NH2+]2)s1 ZINC001413419935 926052066 /nfs/dbraw/zinc/05/20/66/926052066.db2.gz JTCGFXYWASRZKM-NSHDSACASA-N 1 1 301.372 -1.411 20 0 DAADMO O=C(Cn1nnc2ccccc21)NC[C@@]1(CO)COCC[NH2+]1 ZINC001413425656 926052083 /nfs/dbraw/zinc/05/20/83/926052083.db2.gz YAVNIZDHMYHMQM-CQSZACIVSA-N 1 1 305.338 -1.102 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001413522288 926061434 /nfs/dbraw/zinc/06/14/34/926061434.db2.gz GSRJOFADXCSAJX-WZRBSPASSA-N 1 1 319.427 -1.161 20 0 DAADMO Cc1[nH]c(CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)c(C)[nH+]1 ZINC001413631626 926068608 /nfs/dbraw/zinc/06/86/08/926068608.db2.gz RNYGEGOMOOFINS-QMMMGPOBSA-N 1 1 306.330 -1.166 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCC2(CO)COC2)CC1 ZINC001413687843 926070518 /nfs/dbraw/zinc/07/05/18/926070518.db2.gz SVXURRASGZCKSR-UHFFFAOYSA-N 1 1 314.386 -1.495 20 0 DAADMO Cn1cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(=O)[nH]c1=O ZINC001413728312 926072315 /nfs/dbraw/zinc/07/23/15/926072315.db2.gz JTCUHUDHFWCHKB-LLVKDONJSA-N 1 1 324.385 -1.469 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001413732988 926073576 /nfs/dbraw/zinc/07/35/76/926073576.db2.gz YIRZEFTVFCQPRB-NSHDSACASA-N 1 1 305.400 -1.241 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 ZINC001413816747 926077106 /nfs/dbraw/zinc/07/71/06/926077106.db2.gz QWBCRYFJFWCMGH-NSHDSACASA-N 1 1 315.395 -1.175 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001413810043 926077364 /nfs/dbraw/zinc/07/73/64/926077364.db2.gz HRPWNTZSSXVJGY-UHFFFAOYSA-N 1 1 306.326 -1.921 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001413849645 926079163 /nfs/dbraw/zinc/07/91/63/926079163.db2.gz OSFQPDNNRJZMOS-GFCCVEGCSA-N 1 1 305.400 -2.100 20 0 DAADMO COCC(=O)NC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC001413853062 926080222 /nfs/dbraw/zinc/08/02/22/926080222.db2.gz UHQVOCGVGPMNMI-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)S(N)(=O)=O ZINC001413955663 926086967 /nfs/dbraw/zinc/08/69/67/926086967.db2.gz LJECXQQZSUHSHB-OUAUKWLOSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)S(N)(=O)=O ZINC001413955663 926086985 /nfs/dbraw/zinc/08/69/85/926086985.db2.gz LJECXQQZSUHSHB-OUAUKWLOSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)S(N)(=O)=O ZINC001413955663 926086990 /nfs/dbraw/zinc/08/69/90/926086990.db2.gz LJECXQQZSUHSHB-OUAUKWLOSA-N 1 1 321.447 -1.403 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC001413956419 926087557 /nfs/dbraw/zinc/08/75/57/926087557.db2.gz RDPOEBWYFJNRAZ-NSHDSACASA-N 1 1 305.400 -1.154 20 0 DAADMO NC(=O)NC(=O)CC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001413958773 926088560 /nfs/dbraw/zinc/08/85/60/926088560.db2.gz WETBQAWTRIZSMG-UHFFFAOYSA-N 1 1 307.376 -2.523 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001413970083 926090535 /nfs/dbraw/zinc/09/05/35/926090535.db2.gz AYOBMBBOVZPDJX-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001413969399 926091102 /nfs/dbraw/zinc/09/11/02/926091102.db2.gz BSSDTJQCCKPCRF-GHMZBOCLSA-N 1 1 324.385 -1.245 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001413969399 926091110 /nfs/dbraw/zinc/09/11/10/926091110.db2.gz BSSDTJQCCKPCRF-GHMZBOCLSA-N 1 1 324.385 -1.245 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001413969399 926091120 /nfs/dbraw/zinc/09/11/20/926091120.db2.gz BSSDTJQCCKPCRF-GHMZBOCLSA-N 1 1 324.385 -1.245 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001413970763 926091147 /nfs/dbraw/zinc/09/11/47/926091147.db2.gz MOOBCBJCEWIEDT-VXGBXAGGSA-N 1 1 324.385 -1.543 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC001413997752 926094322 /nfs/dbraw/zinc/09/43/22/926094322.db2.gz FAHCGSCTVQFLIS-TVQRCGJNSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC001413997752 926094330 /nfs/dbraw/zinc/09/43/30/926094330.db2.gz FAHCGSCTVQFLIS-TVQRCGJNSA-N 1 1 302.327 -1.336 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001413988870 926094453 /nfs/dbraw/zinc/09/44/53/926094453.db2.gz YGWJSAKHNINSFM-NWDGAFQWSA-N 1 1 322.427 -1.111 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](CO)[C@H]1CO)NCC(=O)N1CCCC1 ZINC001414017306 926095160 /nfs/dbraw/zinc/09/51/60/926095160.db2.gz WZAGERSVJWSXDZ-QWHCGFSZSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)NCC(=O)N1CCCC1 ZINC001414017306 926095167 /nfs/dbraw/zinc/09/51/67/926095167.db2.gz WZAGERSVJWSXDZ-QWHCGFSZSA-N 1 1 313.398 -1.210 20 0 DAADMO Cc1cccnc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001414015514 926095409 /nfs/dbraw/zinc/09/54/09/926095409.db2.gz FMEDVTDXBBOYMZ-AOOOYVTPSA-N 1 1 305.338 -1.153 20 0 DAADMO Cc1cccnc1NC(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001414015514 926095415 /nfs/dbraw/zinc/09/54/15/926095415.db2.gz FMEDVTDXBBOYMZ-AOOOYVTPSA-N 1 1 305.338 -1.153 20 0 DAADMO C[C@H]1COCC[N@@H+]1CCN1CCOC[C@H]1CNS(C)(=O)=O ZINC001414014716 926096572 /nfs/dbraw/zinc/09/65/72/926096572.db2.gz BZEWJAZECOBJRN-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@H]1COCC[N@H+]1CCN1CCOC[C@H]1CNS(C)(=O)=O ZINC001414014716 926096580 /nfs/dbraw/zinc/09/65/80/926096580.db2.gz BZEWJAZECOBJRN-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO O=S1(=O)C[C@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]2C1 ZINC001414032935 926096937 /nfs/dbraw/zinc/09/69/37/926096937.db2.gz FIDYMHJHZPKUEC-XQHKEYJVSA-N 1 1 305.396 -1.135 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]2C1 ZINC001414032935 926096946 /nfs/dbraw/zinc/09/69/46/926096946.db2.gz FIDYMHJHZPKUEC-XQHKEYJVSA-N 1 1 305.396 -1.135 20 0 DAADMO C[C@H]1COCCN1CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032437 926097097 /nfs/dbraw/zinc/09/70/97/926097097.db2.gz FMOGJJBAXHPIPF-NWDGAFQWSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCCN1CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032437 926097100 /nfs/dbraw/zinc/09/71/00/926097100.db2.gz FMOGJJBAXHPIPF-NWDGAFQWSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCC[N@@H+]1CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032437 926097105 /nfs/dbraw/zinc/09/71/05/926097105.db2.gz FMOGJJBAXHPIPF-NWDGAFQWSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCC[N@H+]1CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032437 926097111 /nfs/dbraw/zinc/09/71/11/926097111.db2.gz FMOGJJBAXHPIPF-NWDGAFQWSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCCN1CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032377 926097455 /nfs/dbraw/zinc/09/74/55/926097455.db2.gz FMOGJJBAXHPIPF-NEPJUHHUSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCCN1CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032377 926097466 /nfs/dbraw/zinc/09/74/66/926097466.db2.gz FMOGJJBAXHPIPF-NEPJUHHUSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCC[N@@H+]1CCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032377 926097477 /nfs/dbraw/zinc/09/74/77/926097477.db2.gz FMOGJJBAXHPIPF-NEPJUHHUSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCC[N@H+]1CCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032377 926097488 /nfs/dbraw/zinc/09/74/88/926097488.db2.gz FMOGJJBAXHPIPF-NEPJUHHUSA-N 1 1 304.416 -1.459 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001414039407 926099347 /nfs/dbraw/zinc/09/93/47/926099347.db2.gz XTYLXLHGULLOGJ-WOPDTQHZSA-N 1 1 308.400 -1.501 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099639 /nfs/dbraw/zinc/09/96/39/926099639.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099643 /nfs/dbraw/zinc/09/96/43/926099643.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040683 926099652 /nfs/dbraw/zinc/09/96/52/926099652.db2.gz VPAGAZFPGRXQSI-OLZOCXBDSA-N 1 1 323.459 -1.203 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2CCOC[C@]2(CO)C1 ZINC001414040337 926099937 /nfs/dbraw/zinc/09/99/37/926099937.db2.gz XXTWGCSGIHTTIM-LSDHHAIUSA-N 1 1 317.430 -1.696 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001414048465 926102803 /nfs/dbraw/zinc/10/28/03/926102803.db2.gz PUBFWAFUZVTSAV-FVCCEPFGSA-N 1 1 313.398 -1.215 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001414054923 926104068 /nfs/dbraw/zinc/10/40/68/926104068.db2.gz MGNDJLLKGPPJRJ-NEPJUHHUSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001414054923 926104077 /nfs/dbraw/zinc/10/40/77/926104077.db2.gz MGNDJLLKGPPJRJ-NEPJUHHUSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001414054925 926104279 /nfs/dbraw/zinc/10/42/79/926104279.db2.gz MGNDJLLKGPPJRJ-NWDGAFQWSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001414054925 926104285 /nfs/dbraw/zinc/10/42/85/926104285.db2.gz MGNDJLLKGPPJRJ-NWDGAFQWSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C[NH2+]Cc1cn(CC(N)=O)nn1)NS(C)(=O)=O ZINC001414078203 926106026 /nfs/dbraw/zinc/10/60/26/926106026.db2.gz YNACMORARMPNJM-UHFFFAOYSA-N 1 1 304.376 -1.819 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001414095093 926106262 /nfs/dbraw/zinc/10/62/62/926106262.db2.gz BMHHBVQGTDEKCM-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H](NC(=O)CNC(N)=O)C1 ZINC001414209134 926110659 /nfs/dbraw/zinc/11/06/59/926110659.db2.gz UXCQLKYATLHJBR-PHIMTYICSA-N 1 1 322.369 -1.129 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001414245025 926113078 /nfs/dbraw/zinc/11/30/78/926113078.db2.gz DLVCXJSTBWFCTH-UHFFFAOYSA-N 1 1 320.371 -1.658 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001414245025 926113082 /nfs/dbraw/zinc/11/30/82/926113082.db2.gz DLVCXJSTBWFCTH-UHFFFAOYSA-N 1 1 320.371 -1.658 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001414283333 926116004 /nfs/dbraw/zinc/11/60/04/926116004.db2.gz OQRAMPQJKIIIFX-QMMMGPOBSA-N 1 1 302.356 -1.284 20 0 DAADMO Cc1nc(CS(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)no1 ZINC001414338489 926119943 /nfs/dbraw/zinc/11/99/43/926119943.db2.gz FYDZSLYWFVVEHQ-UHFFFAOYSA-N 1 1 317.371 -1.429 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001414367195 926123444 /nfs/dbraw/zinc/12/34/44/926123444.db2.gz QOLHCNOCMBJRGB-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001414367192 926124130 /nfs/dbraw/zinc/12/41/30/926124130.db2.gz QOLHCNOCMBJRGB-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001414494587 926127231 /nfs/dbraw/zinc/12/72/31/926127231.db2.gz SOPYVQIKZSBNLK-GFCCVEGCSA-N 1 1 312.370 -1.876 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001414494587 926127238 /nfs/dbraw/zinc/12/72/38/926127238.db2.gz SOPYVQIKZSBNLK-GFCCVEGCSA-N 1 1 312.370 -1.876 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H](CO)c2ncc[nH]2)CC1 ZINC001414526135 926130626 /nfs/dbraw/zinc/13/06/26/926130626.db2.gz OHTAETYHYFKXSV-LLVKDONJSA-N 1 1 324.385 -1.094 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001414531148 926130684 /nfs/dbraw/zinc/13/06/84/926130684.db2.gz BDLQDROIDKAQTB-CMPLNLGQSA-N 1 1 305.400 -1.213 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001414553839 926132613 /nfs/dbraw/zinc/13/26/13/926132613.db2.gz GBMWWBJKDVAYMZ-RYUDHWBXSA-N 1 1 312.418 -1.055 20 0 DAADMO C[C@H](NC(=O)N(C)CCS(N)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001414572722 926133837 /nfs/dbraw/zinc/13/38/37/926133837.db2.gz JOQLENAIXPUACV-UWVGGRQHSA-N 1 1 308.404 -1.365 20 0 DAADMO C[C@H](NC(=O)N(C)CCS(N)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001414572722 926133847 /nfs/dbraw/zinc/13/38/47/926133847.db2.gz JOQLENAIXPUACV-UWVGGRQHSA-N 1 1 308.404 -1.365 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001414569303 926134036 /nfs/dbraw/zinc/13/40/36/926134036.db2.gz MTHPTAIVRHDNKF-UHFFFAOYSA-N 1 1 323.397 -2.302 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001414569303 926134043 /nfs/dbraw/zinc/13/40/43/926134043.db2.gz MTHPTAIVRHDNKF-UHFFFAOYSA-N 1 1 323.397 -2.302 20 0 DAADMO C[C@H](NC(=O)N(C)CCS(N)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC001414572724 926134487 /nfs/dbraw/zinc/13/44/87/926134487.db2.gz JOQLENAIXPUACV-VHSXEESVSA-N 1 1 308.404 -1.365 20 0 DAADMO C[C@H](NC(=O)N(C)CCS(N)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001414572724 926134496 /nfs/dbraw/zinc/13/44/96/926134496.db2.gz JOQLENAIXPUACV-VHSXEESVSA-N 1 1 308.404 -1.365 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NCc2nnn(C)n2)CC[N@@H+](C)C1 ZINC001414627906 926136809 /nfs/dbraw/zinc/13/68/09/926136809.db2.gz WUIDHARMAIIKEE-SECBINFHSA-N 1 1 311.346 -1.544 20 0 DAADMO Cn1cc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)nn1 ZINC001414688629 926139739 /nfs/dbraw/zinc/13/97/39/926139739.db2.gz KBUPDUQORPXWMK-GXTWGEPZSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001414730921 926143160 /nfs/dbraw/zinc/14/31/60/926143160.db2.gz KIJZJZWVLWXTLR-SNVBAGLBSA-N 1 1 305.400 -1.071 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001414791758 926148995 /nfs/dbraw/zinc/14/89/95/926148995.db2.gz XSIALTUQKDZDCN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001414879155 926150702 /nfs/dbraw/zinc/15/07/02/926150702.db2.gz GENAOLVUPBDMCP-GHMZBOCLSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001415063842 926159357 /nfs/dbraw/zinc/15/93/57/926159357.db2.gz PXZCYAMBTSZRIR-KKJSVHSVSA-N 1 1 323.397 -1.432 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001415127950 926163928 /nfs/dbraw/zinc/16/39/28/926163928.db2.gz CAJLTTSMSAJJTK-LBPRGKRZSA-N 1 1 320.357 -1.925 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001415151762 926165560 /nfs/dbraw/zinc/16/55/60/926165560.db2.gz KUBIKDYPJGVJTH-SCZZXKLOSA-N 1 1 309.326 -1.079 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001415155356 926166131 /nfs/dbraw/zinc/16/61/31/926166131.db2.gz OACNFAMDEBPXPF-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001415155356 926166137 /nfs/dbraw/zinc/16/61/37/926166137.db2.gz OACNFAMDEBPXPF-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001415234615 926171802 /nfs/dbraw/zinc/17/18/02/926171802.db2.gz UALRWCOAUDUUIA-GFCCVEGCSA-N 1 1 310.398 -1.667 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001415391167 926179318 /nfs/dbraw/zinc/17/93/18/926179318.db2.gz SCEKWKPJPSHFNP-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415446347 926181518 /nfs/dbraw/zinc/18/15/18/926181518.db2.gz ZHDSFXWUYGINHE-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415446347 926181523 /nfs/dbraw/zinc/18/15/23/926181523.db2.gz ZHDSFXWUYGINHE-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415465576 926183237 /nfs/dbraw/zinc/18/32/37/926183237.db2.gz OAFYIKOKQDVXCX-LLVKDONJSA-N 1 1 300.359 -1.972 20 0 DAADMO CC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415465576 926183241 /nfs/dbraw/zinc/18/32/41/926183241.db2.gz OAFYIKOKQDVXCX-LLVKDONJSA-N 1 1 300.359 -1.972 20 0 DAADMO CN(CCNC(=O)c1cn(C)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415476042 926185302 /nfs/dbraw/zinc/18/53/02/926185302.db2.gz WWWZCBWPABWPGD-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cn(C)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415476042 926185310 /nfs/dbraw/zinc/18/53/10/926185310.db2.gz WWWZCBWPABWPGD-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CC(=O)N1CC(C(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415480642 926185595 /nfs/dbraw/zinc/18/55/95/926185595.db2.gz YYORISWZCSNYAW-LBPRGKRZSA-N 1 1 310.398 -1.009 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001415514266 926190337 /nfs/dbraw/zinc/19/03/37/926190337.db2.gz OQNSKOBXVNFEMS-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001415514266 926190347 /nfs/dbraw/zinc/19/03/47/926190347.db2.gz OQNSKOBXVNFEMS-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)Cn2cncn2)C1 ZINC001415624545 926197677 /nfs/dbraw/zinc/19/76/77/926197677.db2.gz PQVOAFABGNBKFB-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)Cn2cncn2)C1 ZINC001415624545 926197681 /nfs/dbraw/zinc/19/76/81/926197681.db2.gz PQVOAFABGNBKFB-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)CCNC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415669474 926200421 /nfs/dbraw/zinc/20/04/21/926200421.db2.gz FAUJJOMYMSFUKQ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO O=C(Cn1cnnn1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001415808811 926205762 /nfs/dbraw/zinc/20/57/62/926205762.db2.gz TXTLTJLLVKBSSP-GFCCVEGCSA-N 1 1 320.357 -1.925 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)Cn1ncnn1)C1CC1 ZINC001415859617 926206968 /nfs/dbraw/zinc/20/69/68/926206968.db2.gz FSELDAFTOZROTR-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1)C1CCC1 ZINC001416010807 926217412 /nfs/dbraw/zinc/21/74/12/926217412.db2.gz HNYGKNZRHGYLEQ-LLVKDONJSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001416065880 926224199 /nfs/dbraw/zinc/22/41/99/926224199.db2.gz MGWFQIRTVZJOEN-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)CNC(N)=O)C1)CC(C)(C)C ZINC001416060894 926224320 /nfs/dbraw/zinc/22/43/20/926224320.db2.gz VFFKCOXTFKXILH-UHFFFAOYSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001416083542 926224885 /nfs/dbraw/zinc/22/48/85/926224885.db2.gz HOZLRAJFUTXLTN-UHFFFAOYSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC001416068913 926226001 /nfs/dbraw/zinc/22/60/01/926226001.db2.gz XTSFQCLALVFERC-ZYHUDNBSSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001416091585 926226427 /nfs/dbraw/zinc/22/64/27/926226427.db2.gz XIJLOKHBALADNH-LLVKDONJSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001416091586 926226872 /nfs/dbraw/zinc/22/68/72/926226872.db2.gz XIJLOKHBALADNH-NSHDSACASA-N 1 1 321.385 -1.411 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001416140178 926232489 /nfs/dbraw/zinc/23/24/89/926232489.db2.gz PLBAXWIXPMZRJW-RYUDHWBXSA-N 1 1 321.385 -1.175 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001416423256 926239658 /nfs/dbraw/zinc/23/96/58/926239658.db2.gz AXQIPSMHXKWTNR-RYUDHWBXSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001416423255 926240057 /nfs/dbraw/zinc/24/00/57/926240057.db2.gz AXQIPSMHXKWTNR-NWDGAFQWSA-N 1 1 323.401 -1.117 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001416480890 926240392 /nfs/dbraw/zinc/24/03/92/926240392.db2.gz MPMVVGVDSBDVHN-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001416480886 926241255 /nfs/dbraw/zinc/24/12/55/926241255.db2.gz MPMVVGVDSBDVHN-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnon1 ZINC001416646811 926244878 /nfs/dbraw/zinc/24/48/78/926244878.db2.gz JAUCZWNNZLRXNH-LLVKDONJSA-N 1 1 311.342 -1.069 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnon1 ZINC001416646811 926244887 /nfs/dbraw/zinc/24/48/87/926244887.db2.gz JAUCZWNNZLRXNH-LLVKDONJSA-N 1 1 311.342 -1.069 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001416705202 926246937 /nfs/dbraw/zinc/24/69/37/926246937.db2.gz GMNMCSZYWHSKRK-DGCLKSJQSA-N 1 1 324.381 -1.006 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001416705199 926247616 /nfs/dbraw/zinc/24/76/16/926247616.db2.gz GMNMCSZYWHSKRK-AAEUAGOBSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724009 926250448 /nfs/dbraw/zinc/25/04/48/926250448.db2.gz CXQXAHYMHLJGMU-JQWIXIFHSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724009 926250458 /nfs/dbraw/zinc/25/04/58/926250458.db2.gz CXQXAHYMHLJGMU-JQWIXIFHSA-N 1 1 310.354 -1.448 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001416732240 926255059 /nfs/dbraw/zinc/25/50/59/926255059.db2.gz CNRANEHZPVLPND-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416742246 926258933 /nfs/dbraw/zinc/25/89/33/926258933.db2.gz ZSHQVDUYVGDOEB-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416742246 926258943 /nfs/dbraw/zinc/25/89/43/926258943.db2.gz ZSHQVDUYVGDOEB-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001416747172 926262812 /nfs/dbraw/zinc/26/28/12/926262812.db2.gz ZVUXQOZXSJFWFK-MWLCHTKSSA-N 1 1 324.385 -1.697 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001416757865 926266264 /nfs/dbraw/zinc/26/62/64/926266264.db2.gz AKGZFESXWCPVOO-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001416757829 926266287 /nfs/dbraw/zinc/26/62/87/926266287.db2.gz KDQDZLWYUHZIBS-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2nccn2)C1 ZINC001416758073 926267346 /nfs/dbraw/zinc/26/73/46/926267346.db2.gz LRAXZJIEGSXIOS-MNOVXSKESA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2nccn2)C1 ZINC001416758074 926267641 /nfs/dbraw/zinc/26/76/41/926267641.db2.gz LRAXZJIEGSXIOS-QWRGUYRKSA-N 1 1 310.358 -2.177 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001416762553 926268615 /nfs/dbraw/zinc/26/86/15/926268615.db2.gz MJULUTMSPROKEF-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001416775961 926272490 /nfs/dbraw/zinc/27/24/90/926272490.db2.gz UUOJVQBOCZAZNH-ZJUUUORDSA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001416775953 926273570 /nfs/dbraw/zinc/27/35/70/926273570.db2.gz UUOJVQBOCZAZNH-NXEZZACHSA-N 1 1 311.342 -1.239 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001416778967 926273972 /nfs/dbraw/zinc/27/39/72/926273972.db2.gz QOIBHPZAMSZITP-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001416778347 926275246 /nfs/dbraw/zinc/27/52/46/926275246.db2.gz PJBRDMPGECJANP-SECBINFHSA-N 1 1 313.362 -2.241 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416814520 926277652 /nfs/dbraw/zinc/27/76/52/926277652.db2.gz UNHJTTHIOZJTMP-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1CS(=O)(=O)C1 ZINC001416816585 926279800 /nfs/dbraw/zinc/27/98/00/926279800.db2.gz WSBKXTBJGGHGJZ-ZJUUUORDSA-N 1 1 317.411 -1.396 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001416845927 926280498 /nfs/dbraw/zinc/28/04/98/926280498.db2.gz VUZFFAXDAJLEHH-OUAUKWLOSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001416845926 926281768 /nfs/dbraw/zinc/28/17/68/926281768.db2.gz VUZFFAXDAJLEHH-GMTAPVOTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067123 926297649 /nfs/dbraw/zinc/29/76/49/926297649.db2.gz IFHSEYSUWSEGLI-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067123 926297655 /nfs/dbraw/zinc/29/76/55/926297655.db2.gz IFHSEYSUWSEGLI-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001417132478 926302382 /nfs/dbraw/zinc/30/23/82/926302382.db2.gz VKBRWWGKCZOGNG-UWVGGRQHSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001417138665 926302995 /nfs/dbraw/zinc/30/29/95/926302995.db2.gz QEXBHOXFZVEQCE-MNOVXSKESA-N 1 1 308.382 -1.018 20 0 DAADMO CN1C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001417181638 926303792 /nfs/dbraw/zinc/30/37/92/926303792.db2.gz KYTSPBCAWATVHU-MNOVXSKESA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NCC(=O)NC1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001417166589 926304201 /nfs/dbraw/zinc/30/42/01/926304201.db2.gz GTRWVNYNPHEPEI-UHFFFAOYSA-N 1 1 322.369 -1.114 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001417196762 926305878 /nfs/dbraw/zinc/30/58/78/926305878.db2.gz SFEVYZQFFBHNFD-JTQLQIEISA-N 1 1 320.353 -1.362 20 0 DAADMO CC(=O)NCC(=O)N(C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001417226444 926307403 /nfs/dbraw/zinc/30/74/03/926307403.db2.gz VACFFVIECQLLHD-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001417331649 926311809 /nfs/dbraw/zinc/31/18/09/926311809.db2.gz XDCGOUXFBPAOSZ-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001417309117 926312687 /nfs/dbraw/zinc/31/26/87/926312687.db2.gz SJYCEVQYLKWMCQ-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001417429162 926314918 /nfs/dbraw/zinc/31/49/18/926314918.db2.gz OYQUAPSGILHQEJ-FZMZJTMJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001417429162 926314929 /nfs/dbraw/zinc/31/49/29/926314929.db2.gz OYQUAPSGILHQEJ-FZMZJTMJSA-N 1 1 315.370 -1.957 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CO)NC(N)=O)C1 ZINC001417600703 926319360 /nfs/dbraw/zinc/31/93/60/926319360.db2.gz ZWOFMFSUYWWTBN-QWRGUYRKSA-N 1 1 302.375 -1.511 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001417619769 926320806 /nfs/dbraw/zinc/32/08/06/926320806.db2.gz ISXNFDSATAMLGZ-NXEZZACHSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001417629317 926322685 /nfs/dbraw/zinc/32/26/85/926322685.db2.gz UAAHGDOSJFFCLI-ONGXEEELSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001417749160 926335420 /nfs/dbraw/zinc/33/54/20/926335420.db2.gz JWSHAJQVUXBKAW-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758123 926335898 /nfs/dbraw/zinc/33/58/98/926335898.db2.gz XKAXIUFNSVDQEV-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758123 926335906 /nfs/dbraw/zinc/33/59/06/926335906.db2.gz XKAXIUFNSVDQEV-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001417786492 926336822 /nfs/dbraw/zinc/33/68/22/926336822.db2.gz AGBPOTDYAHROSH-OPRDCNLKSA-N 1 1 324.389 -1.359 20 0 DAADMO CO[C@@H](C)C(=O)NCc1nc(C[NH2+][C@@H](C)C(N)=O)cc(=O)[nH]1 ZINC001417820842 926338832 /nfs/dbraw/zinc/33/88/32/926338832.db2.gz XGSMFEIXTNWVDV-YUMQZZPRSA-N 1 1 311.342 -1.203 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2nc(CNCC(N)=O)cc(=O)[nH]2)C1 ZINC001417819302 926339114 /nfs/dbraw/zinc/33/91/14/926339114.db2.gz CXUCPDCJWPRLKT-SECBINFHSA-N 1 1 322.369 -1.675 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417829003 926339934 /nfs/dbraw/zinc/33/99/34/926339934.db2.gz GCXLZSIXRWSNGO-LLVKDONJSA-N 1 1 314.386 -1.587 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417829003 926339943 /nfs/dbraw/zinc/33/99/43/926339943.db2.gz GCXLZSIXRWSNGO-LLVKDONJSA-N 1 1 314.386 -1.587 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001417834148 926340137 /nfs/dbraw/zinc/34/01/37/926340137.db2.gz XORUXCMKEVRVKK-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001417834148 926340141 /nfs/dbraw/zinc/34/01/41/926340141.db2.gz XORUXCMKEVRVKK-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001417829280 926340191 /nfs/dbraw/zinc/34/01/91/926340191.db2.gz IMNFNZRYJMUTIN-MNOVXSKESA-N 1 1 311.386 -1.429 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001417839269 926340787 /nfs/dbraw/zinc/34/07/87/926340787.db2.gz GCABSKFERBTESD-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001417843637 926341114 /nfs/dbraw/zinc/34/11/14/926341114.db2.gz NHJMALPQYGUWGT-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](N(CCO)CC(N)=O)C1 ZINC001417833597 926341199 /nfs/dbraw/zinc/34/11/99/926341199.db2.gz JUEFRSLZHKJRMX-QWHCGFSZSA-N 1 1 312.414 -1.149 20 0 DAADMO CC(=O)N1CCC[C@@H]([N@H+](CCO)CCNS(C)(=O)=O)C1 ZINC001417827469 926342224 /nfs/dbraw/zinc/34/22/24/926342224.db2.gz AUWVUKACTACYIF-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)N1CCC[C@@H]([N@@H+](CCO)CCNS(C)(=O)=O)C1 ZINC001417827469 926342235 /nfs/dbraw/zinc/34/22/35/926342235.db2.gz AUWVUKACTACYIF-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)NCC(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001417861486 926343158 /nfs/dbraw/zinc/34/31/58/926343158.db2.gz DZTJLEKJBHWNIY-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCn2cncn2)C1 ZINC001417867255 926343203 /nfs/dbraw/zinc/34/32/03/926343203.db2.gz ZAXUNAVUWVDHQV-UHFFFAOYSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1cnn(CCC(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1=O ZINC001417879795 926344667 /nfs/dbraw/zinc/34/46/67/926344667.db2.gz JDSGOISOGXPYOP-UHFFFAOYSA-N 1 1 322.413 -1.322 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001417906745 926346739 /nfs/dbraw/zinc/34/67/39/926346739.db2.gz XHRCFZGJPWLRDH-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001417906745 926346746 /nfs/dbraw/zinc/34/67/46/926346746.db2.gz XHRCFZGJPWLRDH-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001417913197 926347717 /nfs/dbraw/zinc/34/77/17/926347717.db2.gz GXMYJBPQHSXODF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001417913197 926347728 /nfs/dbraw/zinc/34/77/28/926347728.db2.gz GXMYJBPQHSXODF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417946061 926352140 /nfs/dbraw/zinc/35/21/40/926352140.db2.gz VABWEOKMFHZXGK-BDAKNGLRSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417946061 926352146 /nfs/dbraw/zinc/35/21/46/926352146.db2.gz VABWEOKMFHZXGK-BDAKNGLRSA-N 1 1 306.388 -1.881 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCCF)C1)C(N)=O ZINC001417943287 926352671 /nfs/dbraw/zinc/35/26/71/926352671.db2.gz IBXXCBBSPVQNRY-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO Cn1nnc(CN2CC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001417944607 926352991 /nfs/dbraw/zinc/35/29/91/926352991.db2.gz SLTCLVNXZUTDKN-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001417949404 926353239 /nfs/dbraw/zinc/35/32/39/926353239.db2.gz OVSWAMQYEXXLJT-MWLCHTKSSA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001417938862 926354023 /nfs/dbraw/zinc/35/40/23/926354023.db2.gz ITUBRLURDKGDNP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001417938862 926354033 /nfs/dbraw/zinc/35/40/33/926354033.db2.gz ITUBRLURDKGDNP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(CN[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001417969972 926354764 /nfs/dbraw/zinc/35/47/64/926354764.db2.gz BUWBPQMHLPICIQ-VXGBXAGGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001417969972 926354774 /nfs/dbraw/zinc/35/47/74/926354774.db2.gz BUWBPQMHLPICIQ-VXGBXAGGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 ZINC001417996862 926356665 /nfs/dbraw/zinc/35/66/65/926356665.db2.gz PJKKVNXGAXNQSP-WOPDTQHZSA-N 1 1 306.370 -1.079 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001418019310 926357195 /nfs/dbraw/zinc/35/71/95/926357195.db2.gz HSYCDCSYMWUVLD-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001418017589 926358038 /nfs/dbraw/zinc/35/80/38/926358038.db2.gz OORWIWBWEYFVDF-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001418041303 926359062 /nfs/dbraw/zinc/35/90/62/926359062.db2.gz XDXRSEQWOZXSQG-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001418040500 926360166 /nfs/dbraw/zinc/36/01/66/926360166.db2.gz GXPOQXXTCGVJEF-IUCAKERBSA-N 1 1 310.362 -1.609 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CCS(C)(=O)=O)C2)n1 ZINC001418062074 926361375 /nfs/dbraw/zinc/36/13/75/926361375.db2.gz FNDJBGDPDGJMJC-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001418048429 926361559 /nfs/dbraw/zinc/36/15/59/926361559.db2.gz FZHYDUWSWIMBCS-KYZUINATSA-N 1 1 301.372 -1.404 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001418066915 926362681 /nfs/dbraw/zinc/36/26/81/926362681.db2.gz JGNDUQVYFKPOOL-MGCOHNPYSA-N 1 1 321.341 -1.208 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001418096039 926365008 /nfs/dbraw/zinc/36/50/08/926365008.db2.gz ATLHQLIBTMNGGA-OCAPTIKFSA-N 1 1 318.359 -2.140 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001418118434 926366100 /nfs/dbraw/zinc/36/61/00/926366100.db2.gz FXGGIAHWMDRBJD-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001418118435 926366149 /nfs/dbraw/zinc/36/61/49/926366149.db2.gz FXGGIAHWMDRBJD-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001418118433 926366213 /nfs/dbraw/zinc/36/62/13/926366213.db2.gz FXGGIAHWMDRBJD-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001418121630 926367136 /nfs/dbraw/zinc/36/71/36/926367136.db2.gz ULHOOHJPPDWNAJ-VXGBXAGGSA-N 1 1 316.402 -1.249 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O)S(C)(=O)=O ZINC001418150223 926367651 /nfs/dbraw/zinc/36/76/51/926367651.db2.gz PRKKYGYJQOXFOP-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O)S(C)(=O)=O ZINC001418150223 926367663 /nfs/dbraw/zinc/36/76/63/926367663.db2.gz PRKKYGYJQOXFOP-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001418155312 926367842 /nfs/dbraw/zinc/36/78/42/926367842.db2.gz LQRLETMTXXHQKJ-JTQLQIEISA-N 1 1 320.415 -1.489 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001418155312 926367845 /nfs/dbraw/zinc/36/78/45/926367845.db2.gz LQRLETMTXXHQKJ-JTQLQIEISA-N 1 1 320.415 -1.489 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418176311 926367882 /nfs/dbraw/zinc/36/78/82/926367882.db2.gz RDGJRUNKUNLIPQ-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO CN(CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O)S(C)(=O)=O ZINC001418150224 926369118 /nfs/dbraw/zinc/36/91/18/926369118.db2.gz PRKKYGYJQOXFOP-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O)S(C)(=O)=O ZINC001418150224 926369131 /nfs/dbraw/zinc/36/91/31/926369131.db2.gz PRKKYGYJQOXFOP-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001418137830 926369151 /nfs/dbraw/zinc/36/91/51/926369151.db2.gz XDXAHFFZJVSYHK-LLVKDONJSA-N 1 1 312.370 -1.251 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001418181548 926369919 /nfs/dbraw/zinc/36/99/19/926369919.db2.gz ZVHJTNKGHOOISL-RGDJUOJXSA-N 1 1 313.398 -1.045 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204534 926370959 /nfs/dbraw/zinc/37/09/59/926370959.db2.gz BCOAGILTWFDKOE-CMPLNLGQSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204534 926370969 /nfs/dbraw/zinc/37/09/69/926370969.db2.gz BCOAGILTWFDKOE-CMPLNLGQSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001418217066 926371860 /nfs/dbraw/zinc/37/18/60/926371860.db2.gz GZJPZCROVRLKIK-RKDXNWHRSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1nnnn1C ZINC001418232660 926374229 /nfs/dbraw/zinc/37/42/29/926374229.db2.gz ABFPOUTWEKYWOU-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)CN2CCOCC2=O)n1 ZINC001418243294 926374345 /nfs/dbraw/zinc/37/43/45/926374345.db2.gz GOXCIEJLMDJGAL-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001418252899 926376701 /nfs/dbraw/zinc/37/67/01/926376701.db2.gz PPJZZBCNWIBFMH-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418252822 926376930 /nfs/dbraw/zinc/37/69/30/926376930.db2.gz YVTZJRNSNVBCNJ-MRVPVSSYSA-N 1 1 322.325 -1.065 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001418250715 926377232 /nfs/dbraw/zinc/37/72/32/926377232.db2.gz RZOIJGBSJRJNCO-QMMMGPOBSA-N 1 1 321.341 -1.330 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001418268656 926377542 /nfs/dbraw/zinc/37/75/42/926377542.db2.gz XFNMCNISKKYWQY-NXEZZACHSA-N 1 1 324.389 -1.251 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001418252900 926377735 /nfs/dbraw/zinc/37/77/35/926377735.db2.gz PPJZZBCNWIBFMH-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418263178 926377842 /nfs/dbraw/zinc/37/78/42/926377842.db2.gz RZHRRQUHIWTYKE-UWVGGRQHSA-N 1 1 324.389 -1.299 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)CCn2cnnn2)nn1 ZINC001418293182 926378390 /nfs/dbraw/zinc/37/83/90/926378390.db2.gz ZJCDFBYWVDMOGK-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001418299726 926379365 /nfs/dbraw/zinc/37/93/65/926379365.db2.gz YQFUIMSDVNTFQA-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001418299726 926379373 /nfs/dbraw/zinc/37/93/73/926379373.db2.gz YQFUIMSDVNTFQA-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCN1CCNC1=O ZINC001418279259 926380188 /nfs/dbraw/zinc/38/01/88/926380188.db2.gz FWOMKLDVPVWUTK-SNVBAGLBSA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCN1CCNC1=O ZINC001418279259 926380195 /nfs/dbraw/zinc/38/01/95/926380195.db2.gz FWOMKLDVPVWUTK-SNVBAGLBSA-N 1 1 309.374 -1.143 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001418311725 926381726 /nfs/dbraw/zinc/38/17/26/926381726.db2.gz AQUCVEQPIRHBGZ-NEPJUHHUSA-N 1 1 300.403 -1.205 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418370168 926386062 /nfs/dbraw/zinc/38/60/62/926386062.db2.gz CTGJXJBQOQBCCK-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418370168 926386073 /nfs/dbraw/zinc/38/60/73/926386073.db2.gz CTGJXJBQOQBCCK-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001418376244 926386938 /nfs/dbraw/zinc/38/69/38/926386938.db2.gz TUBWVIYGJMHLJI-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001418376244 926386947 /nfs/dbraw/zinc/38/69/47/926386947.db2.gz TUBWVIYGJMHLJI-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001418372203 926387264 /nfs/dbraw/zinc/38/72/64/926387264.db2.gz GQLJOBJLYVADPT-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001418372203 926387272 /nfs/dbraw/zinc/38/72/72/926387272.db2.gz GQLJOBJLYVADPT-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCNS(C)(=O)=O ZINC001418449523 926390396 /nfs/dbraw/zinc/39/03/96/926390396.db2.gz XFTQRESLXZCECW-LLVKDONJSA-N 1 1 322.431 -2.086 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCNS(C)(=O)=O ZINC001418449523 926390403 /nfs/dbraw/zinc/39/04/03/926390403.db2.gz XFTQRESLXZCECW-LLVKDONJSA-N 1 1 322.431 -2.086 20 0 DAADMO Cc1ncoc1C[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001418459325 926390757 /nfs/dbraw/zinc/39/07/57/926390757.db2.gz CARIKAHWIUJVPE-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO Cc1ncoc1C[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001418459325 926390766 /nfs/dbraw/zinc/39/07/66/926390766.db2.gz CARIKAHWIUJVPE-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@]12C[C@H]1COC2)S(C)(=O)=O ZINC001418459475 926391222 /nfs/dbraw/zinc/39/12/22/926391222.db2.gz NLXNKCPXTVUWFH-AAEUAGOBSA-N 1 1 319.427 -1.038 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1COC2)S(C)(=O)=O ZINC001418459475 926391232 /nfs/dbraw/zinc/39/12/32/926391232.db2.gz NLXNKCPXTVUWFH-AAEUAGOBSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+](C)CCN1CCNC1=O)NC(N)=O ZINC001418464360 926391356 /nfs/dbraw/zinc/39/13/56/926391356.db2.gz YSKYRUNSUVFMPY-SNVBAGLBSA-N 1 1 314.390 -1.494 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001418452831 926391808 /nfs/dbraw/zinc/39/18/08/926391808.db2.gz LXLAANGTTIJVDW-SECBINFHSA-N 1 1 314.342 -1.557 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001418452831 926391815 /nfs/dbraw/zinc/39/18/15/926391815.db2.gz LXLAANGTTIJVDW-SECBINFHSA-N 1 1 314.342 -1.557 20 0 DAADMO C[C@@H](CC(=O)NCC[N@@H+](C)CCN1CCNC1=O)NC(N)=O ZINC001418464358 926391937 /nfs/dbraw/zinc/39/19/37/926391937.db2.gz YSKYRUNSUVFMPY-JTQLQIEISA-N 1 1 314.390 -1.494 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1)CCNS(C)(=O)=O ZINC001418452634 926392109 /nfs/dbraw/zinc/39/21/09/926392109.db2.gz AEOJTLSURXMOAA-UHFFFAOYSA-N 1 1 322.431 -2.084 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)CCNS(C)(=O)=O ZINC001418452634 926392116 /nfs/dbraw/zinc/39/21/16/926392116.db2.gz AEOJTLSURXMOAA-UHFFFAOYSA-N 1 1 322.431 -2.084 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)Cn1c[nH+]cc1C ZINC001418479420 926392489 /nfs/dbraw/zinc/39/24/89/926392489.db2.gz YGRJSOPSJPZABH-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO Cc1cn2nc(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)cc2c(=O)[nH]1 ZINC001418481128 926392938 /nfs/dbraw/zinc/39/29/38/926392938.db2.gz BBUUGHIIIUEVMM-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)cc2c(=O)[nH]1 ZINC001418481128 926392947 /nfs/dbraw/zinc/39/29/47/926392947.db2.gz BBUUGHIIIUEVMM-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO CCc1nn(C)cc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001418468243 926393215 /nfs/dbraw/zinc/39/32/15/926393215.db2.gz CONGUIRNYNDPJH-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO CCc1nn(C)cc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001418468243 926393222 /nfs/dbraw/zinc/39/32/22/926393222.db2.gz CONGUIRNYNDPJH-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001418484376 926393537 /nfs/dbraw/zinc/39/35/37/926393537.db2.gz XQEYNNCXYRBUOD-UHFFFAOYSA-N 1 1 318.403 -1.286 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1[nH]nnc1C ZINC001418484376 926393546 /nfs/dbraw/zinc/39/35/46/926393546.db2.gz XQEYNNCXYRBUOD-UHFFFAOYSA-N 1 1 318.403 -1.286 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)CN2CCN(C)C(=O)C2)cn1 ZINC001418468269 926394046 /nfs/dbraw/zinc/39/40/46/926394046.db2.gz BLENMWUXLWMVDE-UHFFFAOYSA-N 1 1 322.413 -1.258 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)CN2CCN(C)C(=O)C2)cn1 ZINC001418468269 926394056 /nfs/dbraw/zinc/39/40/56/926394056.db2.gz BLENMWUXLWMVDE-UHFFFAOYSA-N 1 1 322.413 -1.258 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001418484902 926394241 /nfs/dbraw/zinc/39/42/41/926394241.db2.gz QUSHBINDHMSIDL-UHFFFAOYSA-N 1 1 307.354 -1.074 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418486337 926395435 /nfs/dbraw/zinc/39/54/35/926395435.db2.gz GUVCTEMHLOECRW-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418486337 926395447 /nfs/dbraw/zinc/39/54/47/926395447.db2.gz GUVCTEMHLOECRW-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)CCNS(C)(=O)=O)C1 ZINC001418493960 926395594 /nfs/dbraw/zinc/39/55/94/926395594.db2.gz IWOMUUYSTGMQRD-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001418495528 926396050 /nfs/dbraw/zinc/39/60/50/926396050.db2.gz LYOAPLCVTFZLEV-MNOVXSKESA-N 1 1 313.402 -1.137 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418486343 926396291 /nfs/dbraw/zinc/39/62/91/926396291.db2.gz GUVCTEMHLOECRW-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418486343 926396299 /nfs/dbraw/zinc/39/62/99/926396299.db2.gz GUVCTEMHLOECRW-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001418499619 926396618 /nfs/dbraw/zinc/39/66/18/926396618.db2.gz VRVABBDQHOZYJY-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001418499619 926396626 /nfs/dbraw/zinc/39/66/26/926396626.db2.gz VRVABBDQHOZYJY-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001418490303 926396738 /nfs/dbraw/zinc/39/67/38/926396738.db2.gz YWQUXTKJHMUWOI-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001418490303 926396744 /nfs/dbraw/zinc/39/67/44/926396744.db2.gz YWQUXTKJHMUWOI-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001418490304 926396917 /nfs/dbraw/zinc/39/69/17/926396917.db2.gz YWQUXTKJHMUWOI-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001418490304 926396922 /nfs/dbraw/zinc/39/69/22/926396922.db2.gz YWQUXTKJHMUWOI-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO C[N@H+](CCNC(=O)c1nccnc1C(N)=O)[C@H]1CCNC1=O ZINC001418520296 926397855 /nfs/dbraw/zinc/39/78/55/926397855.db2.gz NCJLJBUTEILEOS-QMMMGPOBSA-N 1 1 306.326 -1.874 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@H]1CCNC1=O ZINC001418520296 926397865 /nfs/dbraw/zinc/39/78/65/926397865.db2.gz NCJLJBUTEILEOS-QMMMGPOBSA-N 1 1 306.326 -1.874 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001418511716 926398246 /nfs/dbraw/zinc/39/82/46/926398246.db2.gz FTLMWRQOFVOCPU-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nnc[nH]1)C[C@H](O)CN1CCCC1=O ZINC001418511716 926398251 /nfs/dbraw/zinc/39/82/51/926398251.db2.gz FTLMWRQOFVOCPU-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nnc[nH]1)C[C@H](O)CN1CCCC1=O ZINC001418511716 926398255 /nfs/dbraw/zinc/39/82/55/926398255.db2.gz FTLMWRQOFVOCPU-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001418516016 926398393 /nfs/dbraw/zinc/39/83/93/926398393.db2.gz MSSSFAWKIIILAO-ZJUUUORDSA-N 1 1 313.362 -2.393 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001418505854 926399151 /nfs/dbraw/zinc/39/91/51/926399151.db2.gz UPWAKNYQBPXTKM-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001418505854 926399162 /nfs/dbraw/zinc/39/91/62/926399162.db2.gz UPWAKNYQBPXTKM-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ccccc1=O)CC(=O)NC(N)=O ZINC001418521235 926399483 /nfs/dbraw/zinc/39/94/83/926399483.db2.gz VUXLSYPTNYOINI-UHFFFAOYSA-N 1 1 309.326 -1.909 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ccccc1=O)CC(=O)NC(N)=O ZINC001418521235 926399493 /nfs/dbraw/zinc/39/94/93/926399493.db2.gz VUXLSYPTNYOINI-UHFFFAOYSA-N 1 1 309.326 -1.909 20 0 DAADMO C[N@H+](CCNC(=O)c1nccnc1C(N)=O)[C@@H]1CCNC1=O ZINC001418520293 926399568 /nfs/dbraw/zinc/39/95/68/926399568.db2.gz NCJLJBUTEILEOS-MRVPVSSYSA-N 1 1 306.326 -1.874 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@@H]1CCNC1=O ZINC001418520293 926399576 /nfs/dbraw/zinc/39/95/76/926399576.db2.gz NCJLJBUTEILEOS-MRVPVSSYSA-N 1 1 306.326 -1.874 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCC(=O)N1CCOCC1 ZINC001418519809 926399987 /nfs/dbraw/zinc/39/99/87/926399987.db2.gz DCAPQFUNJANWFQ-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCC(=O)N1CCOCC1 ZINC001418519809 926399994 /nfs/dbraw/zinc/39/99/94/926399994.db2.gz DCAPQFUNJANWFQ-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)NC)[C@H](C)C(=O)N(C)C ZINC001418544220 926401904 /nfs/dbraw/zinc/40/19/04/926401904.db2.gz BGFDYUZJXMGGNT-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)NC)[C@H](C)C(=O)N(C)C ZINC001418544220 926401911 /nfs/dbraw/zinc/40/19/11/926401911.db2.gz BGFDYUZJXMGGNT-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1)[C@H](C)C(=O)NC ZINC001418542753 926402557 /nfs/dbraw/zinc/40/25/57/926402557.db2.gz NEACDLDZHXJVSZ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)[C@H](C)C(=O)NC ZINC001418542753 926402562 /nfs/dbraw/zinc/40/25/62/926402562.db2.gz NEACDLDZHXJVSZ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001418570725 926403612 /nfs/dbraw/zinc/40/36/12/926403612.db2.gz KOCZKFGLZKLQRG-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001418570725 926403625 /nfs/dbraw/zinc/40/36/25/926403625.db2.gz KOCZKFGLZKLQRG-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1nc2n(c1=O)CCCC2)CC(N)=O ZINC001418577999 926403772 /nfs/dbraw/zinc/40/37/72/926403772.db2.gz YUPFSKUVBIUQRB-UHFFFAOYSA-N 1 1 324.385 -1.696 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nc2n(c1=O)CCCC2)CC(N)=O ZINC001418577999 926403781 /nfs/dbraw/zinc/40/37/81/926403781.db2.gz YUPFSKUVBIUQRB-UHFFFAOYSA-N 1 1 324.385 -1.696 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(=O)NC ZINC001418557193 926404069 /nfs/dbraw/zinc/40/40/69/926404069.db2.gz FIGHJTLMAFXKOV-IAZYJMLFSA-N 1 1 312.370 -1.228 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(=O)NC ZINC001418557193 926404079 /nfs/dbraw/zinc/40/40/79/926404079.db2.gz FIGHJTLMAFXKOV-IAZYJMLFSA-N 1 1 312.370 -1.228 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H](C)C(N)=O ZINC001418550908 926404196 /nfs/dbraw/zinc/40/41/96/926404196.db2.gz GTDQTESBFORQGH-ZJUUUORDSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H](C)C(N)=O ZINC001418550908 926404201 /nfs/dbraw/zinc/40/42/01/926404201.db2.gz GTDQTESBFORQGH-ZJUUUORDSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)C[C@@H](O)COC ZINC001418558234 926404310 /nfs/dbraw/zinc/40/43/10/926404310.db2.gz NHOYJVSACCHYQJ-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCCN(C)C1=O ZINC001418567761 926404820 /nfs/dbraw/zinc/40/48/20/926404820.db2.gz PJXIEBUJILNKRJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H](C)C(N)=O ZINC001418550894 926405041 /nfs/dbraw/zinc/40/50/41/926405041.db2.gz GTDQTESBFORQGH-NXEZZACHSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H](C)C(N)=O ZINC001418550894 926405046 /nfs/dbraw/zinc/40/50/46/926405046.db2.gz GTDQTESBFORQGH-NXEZZACHSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@H+](CCNC(=O)C(C)(C)NC(C)=O)CC(=O)NC(N)=O ZINC001418566678 926405199 /nfs/dbraw/zinc/40/51/99/926405199.db2.gz ZSCRHTPWMLYRBJ-UHFFFAOYSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCNC(=O)C(C)(C)NC(C)=O)CC(=O)NC(N)=O ZINC001418566678 926405208 /nfs/dbraw/zinc/40/52/08/926405208.db2.gz ZSCRHTPWMLYRBJ-UHFFFAOYSA-N 1 1 315.374 -1.466 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001418588519 926406193 /nfs/dbraw/zinc/40/61/93/926406193.db2.gz IQJOITGABDZSTF-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592777 926406847 /nfs/dbraw/zinc/40/68/47/926406847.db2.gz NZWISCKKJRNTPQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592777 926406851 /nfs/dbraw/zinc/40/68/51/926406851.db2.gz NZWISCKKJRNTPQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C[C@H](O)COC ZINC001418583064 926406984 /nfs/dbraw/zinc/40/69/84/926406984.db2.gz LQVUYLKMOLWXPD-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)cn1 ZINC001418588796 926407128 /nfs/dbraw/zinc/40/71/28/926407128.db2.gz GCEQLLHOSCWORJ-NSHDSACASA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)cn1 ZINC001418588796 926407130 /nfs/dbraw/zinc/40/71/30/926407130.db2.gz GCEQLLHOSCWORJ-NSHDSACASA-N 1 1 322.369 -1.262 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001418595679 926407782 /nfs/dbraw/zinc/40/77/82/926407782.db2.gz ILBRLRDZAWLBMM-KGLIPLIRSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001418610852 926408096 /nfs/dbraw/zinc/40/80/96/926408096.db2.gz MAEBRQGYQPZDCA-AOOOYVTPSA-N 1 1 315.399 -1.156 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cnoc1 ZINC001418605263 926408748 /nfs/dbraw/zinc/40/87/48/926408748.db2.gz CQAGJSVAVPRNGJ-SNVBAGLBSA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cnoc1 ZINC001418605263 926408755 /nfs/dbraw/zinc/40/87/55/926408755.db2.gz CQAGJSVAVPRNGJ-SNVBAGLBSA-N 1 1 309.326 -1.007 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001418613867 926408777 /nfs/dbraw/zinc/40/87/77/926408777.db2.gz NERNLGQVFFWWFV-JTQLQIEISA-N 1 1 323.353 -2.387 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001418613867 926408784 /nfs/dbraw/zinc/40/87/84/926408784.db2.gz NERNLGQVFFWWFV-JTQLQIEISA-N 1 1 323.353 -2.387 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001418613993 926408922 /nfs/dbraw/zinc/40/89/22/926408922.db2.gz MSEULZHUPBAQCL-JTQLQIEISA-N 1 1 308.342 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001418613993 926408927 /nfs/dbraw/zinc/40/89/27/926408927.db2.gz MSEULZHUPBAQCL-JTQLQIEISA-N 1 1 308.342 -1.272 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001418608285 926408984 /nfs/dbraw/zinc/40/89/84/926408984.db2.gz NRMBXBHKJBAOMI-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCS(=O)(=O)NC ZINC001418608285 926408987 /nfs/dbraw/zinc/40/89/87/926408987.db2.gz NRMBXBHKJBAOMI-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)C[C@H]1C(N)=O ZINC001418627283 926409995 /nfs/dbraw/zinc/40/99/95/926409995.db2.gz YYNHJEYEFJJJGZ-LPEHRKFASA-N 1 1 300.334 -1.535 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418615226 926410282 /nfs/dbraw/zinc/41/02/82/926410282.db2.gz ZQLQAICPEAARIN-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001418633237 926410531 /nfs/dbraw/zinc/41/05/31/926410531.db2.gz FVTKZWBISSBGDI-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001418633237 926410538 /nfs/dbraw/zinc/41/05/38/926410538.db2.gz FVTKZWBISSBGDI-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001418615565 926410936 /nfs/dbraw/zinc/41/09/36/926410936.db2.gz CSUXYYDUCKGJAL-SECBINFHSA-N 1 1 321.403 -2.552 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001418615565 926410939 /nfs/dbraw/zinc/41/09/39/926410939.db2.gz CSUXYYDUCKGJAL-SECBINFHSA-N 1 1 321.403 -2.552 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001418662573 926412054 /nfs/dbraw/zinc/41/20/54/926412054.db2.gz HNHYSBXSFLZVIK-NEPJUHHUSA-N 1 1 316.402 -1.249 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)C(F)F)C1)N1CCNC(=O)C1 ZINC001418641612 926412157 /nfs/dbraw/zinc/41/21/57/926412157.db2.gz FGWGFSUXFKDNGK-SECBINFHSA-N 1 1 318.324 -1.352 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CNC(=O)C(F)F)C1)N1CCNC(=O)C1 ZINC001418641612 926412164 /nfs/dbraw/zinc/41/21/64/926412164.db2.gz FGWGFSUXFKDNGK-SECBINFHSA-N 1 1 318.324 -1.352 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C2=COCCO2)C1 ZINC001418649435 926412224 /nfs/dbraw/zinc/41/22/24/926412224.db2.gz XISCHPRLUAQEMQ-SECBINFHSA-N 1 1 312.326 -1.492 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001418661597 926412346 /nfs/dbraw/zinc/41/23/46/926412346.db2.gz UJPNQFCKNKTSAU-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)C(F)F)C1)N1CCNC(=O)C1 ZINC001418641613 926412642 /nfs/dbraw/zinc/41/26/42/926412642.db2.gz FGWGFSUXFKDNGK-VIFPVBQESA-N 1 1 318.324 -1.352 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CNC(=O)C(F)F)C1)N1CCNC(=O)C1 ZINC001418641613 926412647 /nfs/dbraw/zinc/41/26/47/926412647.db2.gz FGWGFSUXFKDNGK-VIFPVBQESA-N 1 1 318.324 -1.352 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001418662574 926412725 /nfs/dbraw/zinc/41/27/25/926412725.db2.gz HNHYSBXSFLZVIK-RYUDHWBXSA-N 1 1 316.402 -1.249 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001418646940 926413206 /nfs/dbraw/zinc/41/32/06/926413206.db2.gz RIPODBDBWUQLCH-VIFPVBQESA-N 1 1 308.342 -1.333 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001418666023 926414380 /nfs/dbraw/zinc/41/43/80/926414380.db2.gz MJTHSAGKEAEBLW-NWDGAFQWSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001418679585 926414730 /nfs/dbraw/zinc/41/47/30/926414730.db2.gz VXOIRDMECTWVKT-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001418666024 926414778 /nfs/dbraw/zinc/41/47/78/926414778.db2.gz MJTHSAGKEAEBLW-VXGBXAGGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418675877 926415028 /nfs/dbraw/zinc/41/50/28/926415028.db2.gz RGMIDYCIQFIHSW-ZJUUUORDSA-N 1 1 320.415 -1.633 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001418691195 926415722 /nfs/dbraw/zinc/41/57/22/926415722.db2.gz RMYLZPUSOYKCKD-RYUDHWBXSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001418686390 926416028 /nfs/dbraw/zinc/41/60/28/926416028.db2.gz PMGBGEZTVVOUDK-NSHDSACASA-N 1 1 323.401 -1.019 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418687252 926416068 /nfs/dbraw/zinc/41/60/68/926416068.db2.gz RQZDQEIVAPTOGJ-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001418691302 926416395 /nfs/dbraw/zinc/41/63/95/926416395.db2.gz PUIDNWTYSUDFSQ-PWSUYJOCSA-N 1 1 311.386 -1.291 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC001418715478 926417846 /nfs/dbraw/zinc/41/78/46/926417846.db2.gz ZZAMIZNSLBLBSX-VIFPVBQESA-N 1 1 324.341 -1.115 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC001418715478 926417853 /nfs/dbraw/zinc/41/78/53/926417853.db2.gz ZZAMIZNSLBLBSX-VIFPVBQESA-N 1 1 324.341 -1.115 20 0 DAADMO CCC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)NC ZINC001418728663 926418111 /nfs/dbraw/zinc/41/81/11/926418111.db2.gz DQEMJMZXWMSYPE-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)NC ZINC001418728663 926418119 /nfs/dbraw/zinc/41/81/19/926418119.db2.gz DQEMJMZXWMSYPE-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnccn1)C1CC1 ZINC001418736531 926418177 /nfs/dbraw/zinc/41/81/77/926418177.db2.gz FUHMUTPNMQPRBT-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnccn1)C1CC1 ZINC001418736531 926418181 /nfs/dbraw/zinc/41/81/81/926418181.db2.gz FUHMUTPNMQPRBT-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO CO[C@@H](C)C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001418739176 926418764 /nfs/dbraw/zinc/41/87/64/926418764.db2.gz NXIFNQRMMDTSQB-WPRPVWTQSA-N 1 1 323.353 -1.189 20 0 DAADMO CCC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NC1CC1 ZINC001418719502 926419141 /nfs/dbraw/zinc/41/91/41/926419141.db2.gz ZVQHEBKWJIGOFC-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NC1CC1 ZINC001418719502 926419145 /nfs/dbraw/zinc/41/91/45/926419145.db2.gz ZVQHEBKWJIGOFC-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001418756868 926420059 /nfs/dbraw/zinc/42/00/59/926420059.db2.gz VIYBRPXQGKOWMN-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001418756868 926420062 /nfs/dbraw/zinc/42/00/62/926420062.db2.gz VIYBRPXQGKOWMN-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001418778636 926421600 /nfs/dbraw/zinc/42/16/00/926421600.db2.gz MNDBPRMQATWUPD-RISCZKNCSA-N 1 1 317.361 -1.114 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001418778636 926421608 /nfs/dbraw/zinc/42/16/08/926421608.db2.gz MNDBPRMQATWUPD-RISCZKNCSA-N 1 1 317.361 -1.114 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001418778267 926421952 /nfs/dbraw/zinc/42/19/52/926421952.db2.gz NTFDZFBRCVZAJK-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001418778267 926421961 /nfs/dbraw/zinc/42/19/61/926421961.db2.gz NTFDZFBRCVZAJK-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CCCO)C2)n1 ZINC001418778523 926421975 /nfs/dbraw/zinc/42/19/75/926421975.db2.gz LLUOWSUSTLZRRW-LLVKDONJSA-N 1 1 312.374 -1.509 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001418778633 926422009 /nfs/dbraw/zinc/42/20/09/926422009.db2.gz MNDBPRMQATWUPD-FZMZJTMJSA-N 1 1 317.361 -1.114 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001418778633 926422015 /nfs/dbraw/zinc/42/20/15/926422015.db2.gz MNDBPRMQATWUPD-FZMZJTMJSA-N 1 1 317.361 -1.114 20 0 DAADMO O=C(NCC[N@@H+](CCN1CCNC1=O)C1CC1)[C@@H]1CNC(=O)N1 ZINC001418780923 926422583 /nfs/dbraw/zinc/42/25/83/926422583.db2.gz WYHBEEXHWMYLHK-NSHDSACASA-N 1 1 324.385 -1.726 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418772213 926422655 /nfs/dbraw/zinc/42/26/55/926422655.db2.gz BMUDGKIYUYQAQP-QWRGUYRKSA-N 1 1 312.374 -1.510 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001418801267 926423771 /nfs/dbraw/zinc/42/37/71/926423771.db2.gz KNHFNILFDHSJGM-UTUOFQBUSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C)c1nnnn1C ZINC001418821227 926424582 /nfs/dbraw/zinc/42/45/82/926424582.db2.gz CCTAKVZQEBSFQE-VHSXEESVSA-N 1 1 309.374 -1.060 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)c1nncn1C ZINC001418821117 926424641 /nfs/dbraw/zinc/42/46/41/926424641.db2.gz QNYUMMADGAYMDL-BDAKNGLRSA-N 1 1 323.357 -1.478 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001418850524 926426046 /nfs/dbraw/zinc/42/60/46/926426046.db2.gz XBZIIEQRAJKQOG-PHIMTYICSA-N 1 1 320.415 -1.638 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001418850157 926426155 /nfs/dbraw/zinc/42/61/55/926426155.db2.gz UTYMLBGCJGCVTK-PHIMTYICSA-N 1 1 320.415 -1.902 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CCC(=O)N1)c1nnnn1C ZINC001418834147 926426450 /nfs/dbraw/zinc/42/64/50/926426450.db2.gz RNSZEQAIFLLARG-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO Cn1nncc1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001418885691 926427785 /nfs/dbraw/zinc/42/77/85/926427785.db2.gz HEQZNNGGZGCZPC-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001418898637 926429048 /nfs/dbraw/zinc/42/90/48/926429048.db2.gz HCQZXEJUPRBTRK-MNOVXSKESA-N 1 1 321.385 -1.070 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(=O)NC(N)=O)C1 ZINC001418852232 926429126 /nfs/dbraw/zinc/42/91/26/926429126.db2.gz GCKVENNEDIDROO-UTUOFQBUSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001418903920 926430707 /nfs/dbraw/zinc/43/07/07/926430707.db2.gz BFUQQEDKSVMWNZ-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO CN(CCN1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418915039 926431421 /nfs/dbraw/zinc/43/14/21/926431421.db2.gz HNAXTWBSSCSJEA-CYBMUJFWSA-N 1 1 311.430 -1.501 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001418953343 926432005 /nfs/dbraw/zinc/43/20/05/926432005.db2.gz QONWRABDSKPNNL-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001418953343 926432012 /nfs/dbraw/zinc/43/20/12/926432012.db2.gz QONWRABDSKPNNL-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001418929676 926432112 /nfs/dbraw/zinc/43/21/12/926432112.db2.gz HWHXKYCXHWWSFP-LBPRGKRZSA-N 1 1 323.401 -1.013 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001418930889 926432529 /nfs/dbraw/zinc/43/25/29/926432529.db2.gz METTTYXTNZMFPP-JTQLQIEISA-N 1 1 310.358 -2.153 20 0 DAADMO O=C(Cn1ncc2cccnc21)NC[C@@]1(CO)COCC[NH2+]1 ZINC001418952489 926432584 /nfs/dbraw/zinc/43/25/84/926432584.db2.gz GNHCMYLSZNJLAW-CQSZACIVSA-N 1 1 305.338 -1.102 20 0 DAADMO CC(C)(C)OC(=O)NCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001418953410 926432977 /nfs/dbraw/zinc/43/29/77/926432977.db2.gz RUJHTFAEAWNXOG-ZDUSSCGKSA-N 1 1 303.359 -1.022 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001418933528 926432992 /nfs/dbraw/zinc/43/29/92/926432992.db2.gz IAKOUTIFRQIXPZ-NSHDSACASA-N 1 1 307.416 -1.350 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(=O)n(C)c1=O ZINC001418953101 926433049 /nfs/dbraw/zinc/43/30/49/926433049.db2.gz PJAASBCXORPNFY-ZDUSSCGKSA-N 1 1 312.326 -2.835 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001418929674 926433157 /nfs/dbraw/zinc/43/31/57/926433157.db2.gz HWHXKYCXHWWSFP-GFCCVEGCSA-N 1 1 323.401 -1.013 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001418978123 926437747 /nfs/dbraw/zinc/43/77/47/926437747.db2.gz YBSHHCDSJBDZGG-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001419018241 926444112 /nfs/dbraw/zinc/44/41/12/926444112.db2.gz ULYHGYJKSMUERL-GFCCVEGCSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001419025711 926445560 /nfs/dbraw/zinc/44/55/60/926445560.db2.gz KHWJGXUGYDSXPE-LLVKDONJSA-N 1 1 324.385 -1.716 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001419022231 926445658 /nfs/dbraw/zinc/44/56/58/926445658.db2.gz YPUMQELPLXNCSR-LBPRGKRZSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419039452 926446986 /nfs/dbraw/zinc/44/69/86/926446986.db2.gz YTYBQFUGSNHJNF-GXSJLCMTSA-N 1 1 311.386 -1.431 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037133 926447133 /nfs/dbraw/zinc/44/71/33/926447133.db2.gz FHXVIURMGWRDIY-NSHDSACASA-N 1 1 311.386 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419039456 926447325 /nfs/dbraw/zinc/44/73/25/926447325.db2.gz YTYBQFUGSNHJNF-ONGXEEELSA-N 1 1 311.386 -1.431 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)CCNC(N)=O)C2)C1=O ZINC001419042745 926447593 /nfs/dbraw/zinc/44/75/93/926447593.db2.gz BONVXIMGARXIQZ-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419038428 926447661 /nfs/dbraw/zinc/44/76/61/926447661.db2.gz UIXFGRPXCIZCLA-LBPRGKRZSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001419029584 926448011 /nfs/dbraw/zinc/44/80/11/926448011.db2.gz QRIFNAPYLKKMGM-SNVBAGLBSA-N 1 1 311.386 -2.399 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001419050539 926449433 /nfs/dbraw/zinc/44/94/33/926449433.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 1 1 313.398 -1.391 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001419050539 926449441 /nfs/dbraw/zinc/44/94/41/926449441.db2.gz PTJBNBTWSCSMFT-XDQVBPFNSA-N 1 1 313.398 -1.391 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001419047493 926449754 /nfs/dbraw/zinc/44/97/54/926449754.db2.gz VCAASKQWOOZLJZ-UHFFFAOYSA-N 1 1 321.381 -1.080 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001419063832 926450905 /nfs/dbraw/zinc/45/09/05/926450905.db2.gz BXBKDJBIAWSQBS-GARJFASQSA-N 1 1 323.415 -1.878 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001419060907 926450919 /nfs/dbraw/zinc/45/09/19/926450919.db2.gz GVIRBGYKORARDE-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001419060907 926450923 /nfs/dbraw/zinc/45/09/23/926450923.db2.gz GVIRBGYKORARDE-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001419059254 926451524 /nfs/dbraw/zinc/45/15/24/926451524.db2.gz RNNDJFWMGFXEDV-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001419084377 926452858 /nfs/dbraw/zinc/45/28/58/926452858.db2.gz BXBKDJBIAWSQBS-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419094000 926455300 /nfs/dbraw/zinc/45/53/00/926455300.db2.gz OATCKKLQDFOALE-NEPJUHHUSA-N 1 1 319.365 -1.288 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419094000 926455304 /nfs/dbraw/zinc/45/53/04/926455304.db2.gz OATCKKLQDFOALE-NEPJUHHUSA-N 1 1 319.365 -1.288 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC001419094025 926456468 /nfs/dbraw/zinc/45/64/68/926456468.db2.gz WVIIHPYEFJMVKR-LBPRGKRZSA-N 1 1 320.415 -1.819 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001419122116 926457629 /nfs/dbraw/zinc/45/76/29/926457629.db2.gz NYKPVBCRMFTIKH-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)nnc2c1=O ZINC001419116044 926458145 /nfs/dbraw/zinc/45/81/45/926458145.db2.gz KBBYLVXJYMANOU-YMTOWFKASA-N 1 1 320.353 -1.501 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)nnc2c1=O ZINC001419116044 926458149 /nfs/dbraw/zinc/45/81/49/926458149.db2.gz KBBYLVXJYMANOU-YMTOWFKASA-N 1 1 320.353 -1.501 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001419115569 926458245 /nfs/dbraw/zinc/45/82/45/926458245.db2.gz JBWZZEPYPOBVBQ-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001419122113 926458668 /nfs/dbraw/zinc/45/86/68/926458668.db2.gz NYKPVBCRMFTIKH-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419137099 926459874 /nfs/dbraw/zinc/45/98/74/926459874.db2.gz OMCWDXPHVSOWGT-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419137099 926459878 /nfs/dbraw/zinc/45/98/78/926459878.db2.gz OMCWDXPHVSOWGT-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419152752 926462316 /nfs/dbraw/zinc/46/23/16/926462316.db2.gz AOIZTXCKQWVRRL-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419152752 926462322 /nfs/dbraw/zinc/46/23/22/926462322.db2.gz AOIZTXCKQWVRRL-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419166684 926462511 /nfs/dbraw/zinc/46/25/11/926462511.db2.gz ZJWCYHWMUOTZBC-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419166684 926462523 /nfs/dbraw/zinc/46/25/23/926462523.db2.gz ZJWCYHWMUOTZBC-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001419166723 926462694 /nfs/dbraw/zinc/46/26/94/926462694.db2.gz ZOVCUWJFLIWTML-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001419166723 926462703 /nfs/dbraw/zinc/46/27/03/926462703.db2.gz ZOVCUWJFLIWTML-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001419149497 926463028 /nfs/dbraw/zinc/46/30/28/926463028.db2.gz SNRVLMBFGQPEBP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001419149497 926463030 /nfs/dbraw/zinc/46/30/30/926463030.db2.gz SNRVLMBFGQPEBP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001419179721 926463794 /nfs/dbraw/zinc/46/37/94/926463794.db2.gz ZNYKETRJZHOEME-PSASIEDQSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001419179721 926463803 /nfs/dbraw/zinc/46/38/03/926463803.db2.gz ZNYKETRJZHOEME-PSASIEDQSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001419179839 926464042 /nfs/dbraw/zinc/46/40/42/926464042.db2.gz ZNYKETRJZHOEME-WPRPVWTQSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001419179839 926464048 /nfs/dbraw/zinc/46/40/48/926464048.db2.gz ZNYKETRJZHOEME-WPRPVWTQSA-N 1 1 309.326 -1.009 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419178231 926464063 /nfs/dbraw/zinc/46/40/63/926464063.db2.gz RECCELWVDKJDRS-HTQZYQBOSA-N 1 1 307.376 -2.896 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419178231 926464068 /nfs/dbraw/zinc/46/40/68/926464068.db2.gz RECCELWVDKJDRS-HTQZYQBOSA-N 1 1 307.376 -2.896 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001419185608 926464102 /nfs/dbraw/zinc/46/41/02/926464102.db2.gz WEJKMNBCPCCWBG-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001419176664 926464888 /nfs/dbraw/zinc/46/48/88/926464888.db2.gz LJZMLVCYCSQZHJ-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001419212562 926466623 /nfs/dbraw/zinc/46/66/23/926466623.db2.gz LFXGPHSKAPEOKY-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001419212562 926466626 /nfs/dbraw/zinc/46/66/26/926466626.db2.gz LFXGPHSKAPEOKY-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001419210187 926466962 /nfs/dbraw/zinc/46/69/62/926466962.db2.gz MHTNGJFCLGTARK-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO CC[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419218095 926468722 /nfs/dbraw/zinc/46/87/22/926468722.db2.gz OATHIUJFMSJJPN-RKDXNWHRSA-N 1 1 318.403 -1.372 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC001419287215 926469962 /nfs/dbraw/zinc/46/99/62/926469962.db2.gz FYKCXPAFLVEBGG-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1cnon1 ZINC001419263461 926470215 /nfs/dbraw/zinc/47/02/15/926470215.db2.gz AODPDWPXJDINQU-MRVPVSSYSA-N 1 1 305.360 -1.397 20 0 DAADMO CC[C@H](CNC(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419249695 926470366 /nfs/dbraw/zinc/47/03/66/926470366.db2.gz RHWQDKALHQZLKR-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001419296505 926471605 /nfs/dbraw/zinc/47/16/05/926471605.db2.gz YZPILJOFFHVWOM-VHSXEESVSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001419291985 926471655 /nfs/dbraw/zinc/47/16/55/926471655.db2.gz VACDWXPWUYOGGA-WDEREUQCSA-N 1 1 307.358 -1.519 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001419367321 926473592 /nfs/dbraw/zinc/47/35/92/926473592.db2.gz QTAXJSPKSGDUME-BDAKNGLRSA-N 1 1 323.357 -1.239 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001419359182 926473707 /nfs/dbraw/zinc/47/37/07/926473707.db2.gz RVIVDKYZXZZXCS-BDAKNGLRSA-N 1 1 311.346 -1.182 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCCC(N)=O ZINC001419432640 926477215 /nfs/dbraw/zinc/47/72/15/926477215.db2.gz YJRWKXQOSDAQAR-SNVBAGLBSA-N 1 1 309.374 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001419452611 926478477 /nfs/dbraw/zinc/47/84/77/926478477.db2.gz VPZFKOCHTCUSAK-VHSXEESVSA-N 1 1 309.374 -1.422 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)c3cnn(C[C@H](O)CO)c3)CC2)C1 ZINC001419451654 926478507 /nfs/dbraw/zinc/47/85/07/926478507.db2.gz XRCMCDHAZLWMQO-AWEZNQCLSA-N 1 1 323.397 -1.692 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001419452608 926478615 /nfs/dbraw/zinc/47/86/15/926478615.db2.gz VPZFKOCHTCUSAK-UWVGGRQHSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001419452604 926478860 /nfs/dbraw/zinc/47/88/60/926478860.db2.gz VPZFKOCHTCUSAK-NXEZZACHSA-N 1 1 309.374 -1.422 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001419454074 926479123 /nfs/dbraw/zinc/47/91/23/926479123.db2.gz CQRKRSXLKZUFSI-AOOOYVTPSA-N 1 1 307.358 -1.527 20 0 DAADMO C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1nnn(C)n1 ZINC001419475591 926479974 /nfs/dbraw/zinc/47/99/74/926479974.db2.gz ZIUORTOYMJNPPF-DTWKUNHWSA-N 1 1 312.378 -1.501 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001419479131 926480469 /nfs/dbraw/zinc/48/04/69/926480469.db2.gz JGNDUQVYFKPOOL-AOOOYVTPSA-N 1 1 321.341 -1.208 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1nnn(C)n1 ZINC001419505607 926481292 /nfs/dbraw/zinc/48/12/92/926481292.db2.gz FAGZGHBQTGURFT-SNVBAGLBSA-N 1 1 321.389 -1.187 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419535088 926482877 /nfs/dbraw/zinc/48/28/77/926482877.db2.gz HOQIBIAEWICHKW-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001419525110 926483058 /nfs/dbraw/zinc/48/30/58/926483058.db2.gz BUWZPNNNAXQARU-CHWSQXEVSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419535068 926483108 /nfs/dbraw/zinc/48/31/08/926483108.db2.gz HOQIBIAEWICHKW-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001419528716 926483567 /nfs/dbraw/zinc/48/35/67/926483567.db2.gz ZUBFVFKXFNVJLC-GFCCVEGCSA-N 1 1 319.373 -1.207 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419535100 926484054 /nfs/dbraw/zinc/48/40/54/926484054.db2.gz HOQIBIAEWICHKW-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001419594428 926488556 /nfs/dbraw/zinc/48/85/56/926488556.db2.gz DDHMOSJNKYPAHG-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001419585458 926488757 /nfs/dbraw/zinc/48/87/57/926488757.db2.gz QEFWCMYTEGROAN-RYUDHWBXSA-N 1 1 314.386 -1.102 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCO1 ZINC001419576324 926489561 /nfs/dbraw/zinc/48/95/61/926489561.db2.gz STXKAYKJVDJSLL-STQMWFEESA-N 1 1 321.381 -1.103 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001419576874 926489613 /nfs/dbraw/zinc/48/96/13/926489613.db2.gz JNJICOFTZPLHKV-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001419576874 926489619 /nfs/dbraw/zinc/48/96/19/926489619.db2.gz JNJICOFTZPLHKV-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001419585454 926489637 /nfs/dbraw/zinc/48/96/37/926489637.db2.gz QEFWCMYTEGROAN-NEPJUHHUSA-N 1 1 314.386 -1.102 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001419627644 926490507 /nfs/dbraw/zinc/49/05/07/926490507.db2.gz GUSDMNIEOLRHJO-UHFFFAOYSA-N 1 1 321.424 -1.022 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654289 926492837 /nfs/dbraw/zinc/49/28/37/926492837.db2.gz CKJKIRUMHMOYEU-ZTVLKNOQSA-N 1 1 323.397 -1.371 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654289 926492842 /nfs/dbraw/zinc/49/28/42/926492842.db2.gz CKJKIRUMHMOYEU-ZTVLKNOQSA-N 1 1 323.397 -1.371 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001419692062 926494280 /nfs/dbraw/zinc/49/42/80/926494280.db2.gz SFGUWMKEDJBWEZ-SECBINFHSA-N 1 1 322.325 -1.031 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001419677396 926494542 /nfs/dbraw/zinc/49/45/42/926494542.db2.gz JJYPPTBXFRQWGE-UWVGGRQHSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419683097 926494913 /nfs/dbraw/zinc/49/49/13/926494913.db2.gz JUGRGJPTRHCUJH-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001419692840 926495185 /nfs/dbraw/zinc/49/51/85/926495185.db2.gz YADXSEDZFOBPMK-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001419710607 926496078 /nfs/dbraw/zinc/49/60/78/926496078.db2.gz YVLGMZUWUNRAIW-ZJUUUORDSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001419705711 926496713 /nfs/dbraw/zinc/49/67/13/926496713.db2.gz LUNNISPZGQKCQM-JTQLQIEISA-N 1 1 324.389 -2.422 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001419755259 926498346 /nfs/dbraw/zinc/49/83/46/926498346.db2.gz JRNONMLJDYJANG-SECBINFHSA-N 1 1 313.362 -2.091 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419752828 926498678 /nfs/dbraw/zinc/49/86/78/926498678.db2.gz BJASSSXANVGJOE-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001419755266 926498870 /nfs/dbraw/zinc/49/88/70/926498870.db2.gz JRNONMLJDYJANG-VIFPVBQESA-N 1 1 313.362 -2.091 20 0 DAADMO C[C@@H](C(=O)NCc1nnc2c(=O)[nH]ccn12)N1CC[NH+](C)CC1 ZINC001419768480 926500229 /nfs/dbraw/zinc/50/02/29/926500229.db2.gz QNEUQUWRPLPFAX-JTQLQIEISA-N 1 1 319.369 -1.330 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001419850007 926505010 /nfs/dbraw/zinc/50/50/10/926505010.db2.gz LKAXRBLVBJSMDR-LPEHRKFASA-N 1 1 310.358 -1.558 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001419820931 926505053 /nfs/dbraw/zinc/50/50/53/926505053.db2.gz GMEIWUAFKRTDFN-NSHDSACASA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419876915 926505953 /nfs/dbraw/zinc/50/59/53/926505953.db2.gz XVSPGFFYSOVJAQ-IUCAKERBSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419876915 926505966 /nfs/dbraw/zinc/50/59/66/926505966.db2.gz XVSPGFFYSOVJAQ-IUCAKERBSA-N 1 1 301.372 -1.053 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnnn1C ZINC001419902794 926508335 /nfs/dbraw/zinc/50/83/35/926508335.db2.gz XZHZGUWBLKFVDS-SECBINFHSA-N 1 1 307.362 -1.117 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001419910260 926508349 /nfs/dbraw/zinc/50/83/49/926508349.db2.gz NYWAHYLJSZDKNI-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001419946581 926510176 /nfs/dbraw/zinc/51/01/76/926510176.db2.gz APIPCJSKJSBZPG-UHFFFAOYSA-N 1 1 301.347 -1.950 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001419946581 926510185 /nfs/dbraw/zinc/51/01/85/926510185.db2.gz APIPCJSKJSBZPG-UHFFFAOYSA-N 1 1 301.347 -1.950 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001419935392 926510674 /nfs/dbraw/zinc/51/06/74/926510674.db2.gz ZAAJTCZBRYKMQF-ZETCQYMHSA-N 1 1 322.329 -2.083 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001419939024 926510985 /nfs/dbraw/zinc/51/09/85/926510985.db2.gz IKRBNLAKEUKAKF-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001419939024 926510991 /nfs/dbraw/zinc/51/09/91/926510991.db2.gz IKRBNLAKEUKAKF-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+][C@@H](C)c1nnnn1C ZINC001419932723 926511124 /nfs/dbraw/zinc/51/11/24/926511124.db2.gz HDCUTEPEWPKZBR-IUCAKERBSA-N 1 1 322.373 -1.284 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnnn1C ZINC001419936903 926511672 /nfs/dbraw/zinc/51/16/72/926511672.db2.gz IJEFRMOYKSHMDY-JTQLQIEISA-N 1 1 307.362 -1.268 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001419959023 926512485 /nfs/dbraw/zinc/51/24/85/926512485.db2.gz GTDLCMQCKMKEFR-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001419971569 926513439 /nfs/dbraw/zinc/51/34/39/926513439.db2.gz DZLRIIGGAUROSI-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001419971569 926513444 /nfs/dbraw/zinc/51/34/44/926513444.db2.gz DZLRIIGGAUROSI-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420053913 926516890 /nfs/dbraw/zinc/51/68/90/926516890.db2.gz HBDMIUSJENEHQU-MRVPVSSYSA-N 1 1 308.342 -1.547 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420053913 926516895 /nfs/dbraw/zinc/51/68/95/926516895.db2.gz HBDMIUSJENEHQU-MRVPVSSYSA-N 1 1 308.342 -1.547 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001420033521 926517267 /nfs/dbraw/zinc/51/72/67/926517267.db2.gz LBUUCMHLIGCSBF-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001420033521 926517270 /nfs/dbraw/zinc/51/72/70/926517270.db2.gz LBUUCMHLIGCSBF-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001420054002 926517516 /nfs/dbraw/zinc/51/75/16/926517516.db2.gz ZRSASJCJLJMWEZ-SNVBAGLBSA-N 1 1 319.369 -1.069 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001420054002 926517519 /nfs/dbraw/zinc/51/75/19/926517519.db2.gz ZRSASJCJLJMWEZ-SNVBAGLBSA-N 1 1 319.369 -1.069 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001420018395 926517595 /nfs/dbraw/zinc/51/75/95/926517595.db2.gz AEJMSAHBKXOIBE-LLVKDONJSA-N 1 1 322.369 -1.338 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001420075898 926518411 /nfs/dbraw/zinc/51/84/11/926518411.db2.gz XXLPXGIDNPNGCT-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn(C)c1N)[NH2+]Cc1nnn(C)n1 ZINC001420088085 926520643 /nfs/dbraw/zinc/52/06/43/926520643.db2.gz GCMZUKNWLVQVHE-QMMMGPOBSA-N 1 1 307.362 -1.176 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC001420083203 926520943 /nfs/dbraw/zinc/52/09/43/926520943.db2.gz RWJBQEJWXJRCPL-SECBINFHSA-N 1 1 317.777 -1.224 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cnccn1 ZINC001420091531 926521303 /nfs/dbraw/zinc/52/13/03/926521303.db2.gz PKVWTRSTNQUQFC-SNVBAGLBSA-N 1 1 318.341 -1.322 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420100244 926523192 /nfs/dbraw/zinc/52/31/92/926523192.db2.gz GFGDZCDKEFKZAY-LBPRGKRZSA-N 1 1 310.358 -2.140 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001420100237 926523740 /nfs/dbraw/zinc/52/37/40/926523740.db2.gz GFGDZCDKEFKZAY-GFCCVEGCSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001420101359 926524461 /nfs/dbraw/zinc/52/44/61/926524461.db2.gz DIPIFLWGPZEENM-ONGXEEELSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nncn2C)nnn1C ZINC001420105215 926524811 /nfs/dbraw/zinc/52/48/11/926524811.db2.gz IAHMCLUQWVZECV-PSASIEDQSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)s1 ZINC001420101806 926525292 /nfs/dbraw/zinc/52/52/92/926525292.db2.gz HXLHAKMZUOQYRV-UWVGGRQHSA-N 1 1 316.383 -1.171 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001420101753 926526064 /nfs/dbraw/zinc/52/60/64/926526064.db2.gz GTBDNIATRQSPNO-WCBMZHEXSA-N 1 1 308.346 -1.696 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001420114025 926527658 /nfs/dbraw/zinc/52/76/58/926527658.db2.gz QHPNYWQTMFQQSR-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001420113694 926528015 /nfs/dbraw/zinc/52/80/15/926528015.db2.gz OUIMQIMBJHVVDP-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420119306 926528834 /nfs/dbraw/zinc/52/88/34/926528834.db2.gz YVIWSBWDHKRKPV-MNOVXSKESA-N 1 1 300.359 -1.286 20 0 DAADMO CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001420119192 926528997 /nfs/dbraw/zinc/52/89/97/926528997.db2.gz ZWBKNLPFFBVGDM-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001420115901 926529067 /nfs/dbraw/zinc/52/90/67/926529067.db2.gz RHHYPRUJRGACGY-LLVKDONJSA-N 1 1 307.354 -1.431 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001420115806 926529309 /nfs/dbraw/zinc/52/93/09/926529309.db2.gz WTLOAQVZVPRRHJ-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001420116971 926529439 /nfs/dbraw/zinc/52/94/39/926529439.db2.gz SOSBYLJYLMKWIB-LLVKDONJSA-N 1 1 310.358 -1.842 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420116896 926529800 /nfs/dbraw/zinc/52/98/00/926529800.db2.gz SKOGRSSEHLDLSB-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)n1 ZINC001420119884 926530688 /nfs/dbraw/zinc/53/06/88/926530688.db2.gz WSDLOHPUIAEMJO-RYUDHWBXSA-N 1 1 313.358 -1.720 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n2cncn2)n1 ZINC001420121930 926531943 /nfs/dbraw/zinc/53/19/43/926531943.db2.gz ZCXATTKTFQCGGI-CMPLNLGQSA-N 1 1 322.373 -1.283 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001420126176 926533397 /nfs/dbraw/zinc/53/33/97/926533397.db2.gz PTRSXMNMWMBELN-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420130432 926534335 /nfs/dbraw/zinc/53/43/35/926534335.db2.gz VNENHASDMORXTD-MJVIPROJSA-N 1 1 309.370 -1.099 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cncc2nc[nH]c21 ZINC001420128469 926534400 /nfs/dbraw/zinc/53/44/00/926534400.db2.gz QUANUQUBLNQXTK-UWVGGRQHSA-N 1 1 323.353 -1.355 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2ccncn2)n1 ZINC001420133445 926535114 /nfs/dbraw/zinc/53/51/14/926535114.db2.gz AIGVUZCTRNGOOU-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1cn[nH]c(=O)c1 ZINC001420134286 926535593 /nfs/dbraw/zinc/53/55/93/926535593.db2.gz MCVILAQMJJMASU-JTQLQIEISA-N 1 1 304.310 -1.147 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001420132891 926535677 /nfs/dbraw/zinc/53/56/77/926535677.db2.gz YFHUAZROQBWFCH-MNOVXSKESA-N 1 1 314.342 -1.250 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001420137828 926537148 /nfs/dbraw/zinc/53/71/48/926537148.db2.gz LENIYPIUKONDLP-WDEREUQCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccncn1 ZINC001420137328 926537654 /nfs/dbraw/zinc/53/76/54/926537654.db2.gz JNUJGEJGUOCVDM-NSHDSACASA-N 1 1 320.357 -1.800 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1CC1 ZINC001420135649 926537926 /nfs/dbraw/zinc/53/79/26/926537926.db2.gz IKRUNXLSXRCAKC-LBPRGKRZSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1 ZINC001420138229 926538044 /nfs/dbraw/zinc/53/80/44/926538044.db2.gz NQQIBPXQUBMGMN-JQWIXIFHSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)n1 ZINC001420137838 926538269 /nfs/dbraw/zinc/53/82/69/926538269.db2.gz LGOLBRRIUUKUQU-ZYHUDNBSSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1csc(C)n1 ZINC001420136457 926538340 /nfs/dbraw/zinc/53/83/40/926538340.db2.gz LTFAAGQTKJVUJG-JTQLQIEISA-N 1 1 315.399 -1.053 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001420136549 926538446 /nfs/dbraw/zinc/53/84/46/926538446.db2.gz HZWNTSBIIZYASG-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001420140247 926540624 /nfs/dbraw/zinc/54/06/24/926540624.db2.gz DDAMJONWTXKLOW-VIFPVBQESA-N 1 1 313.358 -1.716 20 0 DAADMO Cn1ncnc1CNC[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420142592 926540923 /nfs/dbraw/zinc/54/09/23/926540923.db2.gz FHYRTXHFGBQJDO-VXGBXAGGSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001420154038 926543585 /nfs/dbraw/zinc/54/35/85/926543585.db2.gz IJHDKROPCMAWHA-QWRGUYRKSA-N 1 1 324.385 -1.404 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)[nH]1 ZINC001420154032 926543922 /nfs/dbraw/zinc/54/39/22/926543922.db2.gz IJHDKROPCMAWHA-MNOVXSKESA-N 1 1 324.385 -1.404 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001420153001 926543947 /nfs/dbraw/zinc/54/39/47/926543947.db2.gz NSGOTKPVMDAOIU-LLVKDONJSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc[nH]c2=O)nn1 ZINC001420148988 926544231 /nfs/dbraw/zinc/54/42/31/926544231.db2.gz KCTFAJLHCIHLES-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001420155557 926544390 /nfs/dbraw/zinc/54/43/90/926544390.db2.gz LKFIXQPSKNFPGT-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO Cc1noc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)n1 ZINC001420152683 926545085 /nfs/dbraw/zinc/54/50/85/926545085.db2.gz CXMZEUNVSRARCA-SNVBAGLBSA-N 1 1 310.314 -1.039 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001420155828 926545840 /nfs/dbraw/zinc/54/58/40/926545840.db2.gz NVIMAUINAMGMGM-SKDRFNHKSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001420161096 926546030 /nfs/dbraw/zinc/54/60/30/926546030.db2.gz SPXNGMQFAKIEQX-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cs1 ZINC001420161873 926546168 /nfs/dbraw/zinc/54/61/68/926546168.db2.gz YCFQWZPVHMJJJI-UWVGGRQHSA-N 1 1 313.383 -1.300 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001420161015 926546232 /nfs/dbraw/zinc/54/62/32/926546232.db2.gz GYMAGIGYPSXBDI-LURJTMIESA-N 1 1 313.343 -1.747 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 ZINC001420162017 926546320 /nfs/dbraw/zinc/54/63/20/926546320.db2.gz MOTOEBIEDZYBMX-GXSJLCMTSA-N 1 1 309.370 -1.137 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1coc(C2CC2)n1)[C@H]1CNC(=O)N1 ZINC001420157864 926546579 /nfs/dbraw/zinc/54/65/79/926546579.db2.gz RVNFJJFRORFJFH-GHMZBOCLSA-N 1 1 323.353 -1.200 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001420159571 926546687 /nfs/dbraw/zinc/54/66/87/926546687.db2.gz VKBHCQLDYYGJOG-UWVGGRQHSA-N 1 1 311.346 -2.454 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)n1 ZINC001420162025 926546807 /nfs/dbraw/zinc/54/68/07/926546807.db2.gz MOTOEBIEDZYBMX-ONGXEEELSA-N 1 1 309.370 -1.137 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001420162217 926548847 /nfs/dbraw/zinc/54/88/47/926548847.db2.gz UUXVAQBYCQHLPZ-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CCC(=O)NC1 ZINC001420162812 926549100 /nfs/dbraw/zinc/54/91/00/926549100.db2.gz KOZOQOBESSDLPN-GWCFXTLKSA-N 1 1 311.342 -1.447 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001420163403 926549274 /nfs/dbraw/zinc/54/92/74/926549274.db2.gz WMBWNDJZWVIBRD-NXEZZACHSA-N 1 1 310.358 -1.506 20 0 DAADMO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CCC(=O)NC1 ZINC001420162823 926549390 /nfs/dbraw/zinc/54/93/90/926549390.db2.gz KOZOQOBESSDLPN-MFKMUULPSA-N 1 1 311.342 -1.447 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420163414 926549438 /nfs/dbraw/zinc/54/94/38/926549438.db2.gz WPKZWOZTLRPYJC-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)cs1 ZINC001420165267 926549739 /nfs/dbraw/zinc/54/97/39/926549739.db2.gz AKZAJZAQTGNONW-VIFPVBQESA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1ccoc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420173640 926550213 /nfs/dbraw/zinc/55/02/13/926550213.db2.gz IOTPCLXKESPIJJ-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)O1 ZINC001420172914 926552143 /nfs/dbraw/zinc/55/21/43/926552143.db2.gz KVDHFPBJJGPFTE-GARJFASQSA-N 1 1 312.326 -1.726 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001420174998 926552704 /nfs/dbraw/zinc/55/27/04/926552704.db2.gz MAFBYUOTBMYYLW-ZANVPECISA-N 1 1 310.358 -1.950 20 0 DAADMO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C1CC1 ZINC001420179923 926553539 /nfs/dbraw/zinc/55/35/39/926553539.db2.gz QZJHJYFSTCKSCX-GFCCVEGCSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNCc1ncccn1 ZINC001420180708 926553729 /nfs/dbraw/zinc/55/37/29/926553729.db2.gz BUGPQIBDOUFGMI-CYBMUJFWSA-N 1 1 323.397 -1.234 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2cnn(C)n2)C1 ZINC001420177178 926554396 /nfs/dbraw/zinc/55/43/96/926554396.db2.gz WFSXQPPSMPBAGT-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001420186258 926556177 /nfs/dbraw/zinc/55/61/77/926556177.db2.gz KIUVPRRJVHRMNE-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001420182666 926556703 /nfs/dbraw/zinc/55/67/03/926556703.db2.gz HEFVANFBXKIEQQ-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1)c1ncccn1 ZINC001420181861 926556870 /nfs/dbraw/zinc/55/68/70/926556870.db2.gz DTTJTICQJMBKOD-WDEREUQCSA-N 1 1 320.357 -1.319 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001420193603 926557815 /nfs/dbraw/zinc/55/78/15/926557815.db2.gz SRBJQMBGWAHCEP-SNVBAGLBSA-N 1 1 313.358 -1.201 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccn(C)c1=O ZINC001420193527 926557924 /nfs/dbraw/zinc/55/79/24/926557924.db2.gz JQYUZXNDTXUFMI-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001420193832 926560038 /nfs/dbraw/zinc/56/00/38/926560038.db2.gz JXGXLVGOSQLKAH-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001420193832 926560044 /nfs/dbraw/zinc/56/00/44/926560044.db2.gz JXGXLVGOSQLKAH-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001420194501 926560077 /nfs/dbraw/zinc/56/00/77/926560077.db2.gz XWDTWRMQXSWQOA-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001420194501 926560083 /nfs/dbraw/zinc/56/00/83/926560083.db2.gz XWDTWRMQXSWQOA-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001420196569 926560613 /nfs/dbraw/zinc/56/06/13/926560613.db2.gz WGJVFTWHPFDQMR-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001420196569 926560620 /nfs/dbraw/zinc/56/06/20/926560620.db2.gz WGJVFTWHPFDQMR-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)CCNC(=O)C1CC1 ZINC001420194417 926560657 /nfs/dbraw/zinc/56/06/57/926560657.db2.gz QEVNIKXICFJYTE-UHFFFAOYSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001420194520 926561089 /nfs/dbraw/zinc/56/10/89/926561089.db2.gz SAJNJHRQJORXJD-VIFPVBQESA-N 1 1 311.346 -1.657 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001420194520 926561102 /nfs/dbraw/zinc/56/11/02/926561102.db2.gz SAJNJHRQJORXJD-VIFPVBQESA-N 1 1 311.346 -1.657 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420195473 926561747 /nfs/dbraw/zinc/56/17/47/926561747.db2.gz FNTOXHDRVODVOK-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO C[N@H+](CCNC(=O)CS(C)(=O)=O)C[C@H](O)Cn1cccn1 ZINC001420199131 926562330 /nfs/dbraw/zinc/56/23/30/926562330.db2.gz PSDSYQPINGWCNM-NSHDSACASA-N 1 1 318.399 -1.663 20 0 DAADMO C[N@@H+](CCNC(=O)CS(C)(=O)=O)C[C@H](O)Cn1cccn1 ZINC001420199131 926562335 /nfs/dbraw/zinc/56/23/35/926562335.db2.gz PSDSYQPINGWCNM-NSHDSACASA-N 1 1 318.399 -1.663 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)nc1 ZINC001420203519 926562757 /nfs/dbraw/zinc/56/27/57/926562757.db2.gz HWDHWBXEZVKETR-NSHDSACASA-N 1 1 305.342 -1.357 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001420199412 926563376 /nfs/dbraw/zinc/56/33/76/926563376.db2.gz VENMDECOIJEXJW-MNOVXSKESA-N 1 1 324.385 -1.670 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ccn1 ZINC001420203595 926563821 /nfs/dbraw/zinc/56/38/21/926563821.db2.gz XSSHBBQJKBDDDT-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001420199799 926563878 /nfs/dbraw/zinc/56/38/78/926563878.db2.gz BQLXBFYRXOARLK-SNVBAGLBSA-N 1 1 322.373 -1.087 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001420212353 926564711 /nfs/dbraw/zinc/56/47/11/926564711.db2.gz SCAMAENAWQMKHD-NXEZZACHSA-N 1 1 308.342 -1.078 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN[C@H](C)c1nnnn1C ZINC001420207785 926565148 /nfs/dbraw/zinc/56/51/48/926565148.db2.gz ACMPJTGSDOUAKW-KOLCDFICSA-N 1 1 322.373 -1.457 20 0 DAADMO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)ccc1=O ZINC001420207249 926565797 /nfs/dbraw/zinc/56/57/97/926565797.db2.gz TVUQCHNHXHYCIA-JTQLQIEISA-N 1 1 307.310 -1.351 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001420221087 926567221 /nfs/dbraw/zinc/56/72/21/926567221.db2.gz HXTYROYHQPCXEC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001420221087 926567231 /nfs/dbraw/zinc/56/72/31/926567231.db2.gz HXTYROYHQPCXEC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)Cn1ncnn1)CS(C)(=O)=O ZINC001420218089 926567373 /nfs/dbraw/zinc/56/73/73/926567373.db2.gz OGUKVEDIMDGBBB-SNVBAGLBSA-N 1 1 318.403 -1.598 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)Cn1ncnn1)CS(C)(=O)=O ZINC001420218089 926567380 /nfs/dbraw/zinc/56/73/80/926567380.db2.gz OGUKVEDIMDGBBB-SNVBAGLBSA-N 1 1 318.403 -1.598 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001420213416 926567610 /nfs/dbraw/zinc/56/76/10/926567610.db2.gz SCAMAENAWQMKHD-VHSXEESVSA-N 1 1 308.342 -1.078 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)c1cnn(C)c1 ZINC001420221180 926568047 /nfs/dbraw/zinc/56/80/47/926568047.db2.gz GKLGQFFRTUGDPU-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001420220866 926568376 /nfs/dbraw/zinc/56/83/76/926568376.db2.gz SCKJIZOREAONOZ-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001420220866 926568382 /nfs/dbraw/zinc/56/83/82/926568382.db2.gz SCKJIZOREAONOZ-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)c1cnn(C)c1 ZINC001420221175 926568586 /nfs/dbraw/zinc/56/85/86/926568586.db2.gz GKLGQFFRTUGDPU-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001420213417 926568637 /nfs/dbraw/zinc/56/86/37/926568637.db2.gz SCAMAENAWQMKHD-ZJUUUORDSA-N 1 1 308.342 -1.078 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420241009 926570075 /nfs/dbraw/zinc/57/00/75/926570075.db2.gz UFSCREFYTFAAGY-NSHDSACASA-N 1 1 312.370 -1.370 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001420229892 926570939 /nfs/dbraw/zinc/57/09/39/926570939.db2.gz ACLSJELRSUVTOP-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001420229892 926570951 /nfs/dbraw/zinc/57/09/51/926570951.db2.gz ACLSJELRSUVTOP-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001420243008 926571151 /nfs/dbraw/zinc/57/11/51/926571151.db2.gz XUISETAHBQVNIO-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001420243008 926571159 /nfs/dbraw/zinc/57/11/59/926571159.db2.gz XUISETAHBQVNIO-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001420250453 926572023 /nfs/dbraw/zinc/57/20/23/926572023.db2.gz YYDAQANZGRUAFP-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001420250453 926572028 /nfs/dbraw/zinc/57/20/28/926572028.db2.gz YYDAQANZGRUAFP-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001420256685 926572792 /nfs/dbraw/zinc/57/27/92/926572792.db2.gz GCFDQAYTXBEQSG-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001420256685 926572797 /nfs/dbraw/zinc/57/27/97/926572797.db2.gz GCFDQAYTXBEQSG-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)NC(N)=O ZINC001420259933 926573211 /nfs/dbraw/zinc/57/32/11/926573211.db2.gz NKUJFWGJEFQPPX-UHFFFAOYSA-N 1 1 314.346 -2.355 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)NC(N)=O ZINC001420259933 926573220 /nfs/dbraw/zinc/57/32/20/926573220.db2.gz NKUJFWGJEFQPPX-UHFFFAOYSA-N 1 1 314.346 -2.355 20 0 DAADMO C[N@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CCNC1=O ZINC001420253175 926573420 /nfs/dbraw/zinc/57/34/20/926573420.db2.gz OIOKYIURZXIKFM-GFCCVEGCSA-N 1 1 319.365 -1.341 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)[C@@H]1CCNC1=O ZINC001420253175 926573430 /nfs/dbraw/zinc/57/34/30/926573430.db2.gz OIOKYIURZXIKFM-GFCCVEGCSA-N 1 1 319.365 -1.341 20 0 DAADMO C[N@H+](CCNC(=O)CCc1ccc(=O)[nH]c1)CC(=O)NC(N)=O ZINC001420278110 926575200 /nfs/dbraw/zinc/57/52/00/926575200.db2.gz FITUHRQKJCBHRQ-UHFFFAOYSA-N 1 1 323.353 -1.037 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1ccc(=O)[nH]c1)CC(=O)NC(N)=O ZINC001420278110 926575207 /nfs/dbraw/zinc/57/52/07/926575207.db2.gz FITUHRQKJCBHRQ-UHFFFAOYSA-N 1 1 323.353 -1.037 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)NC1=O ZINC001420284192 926575702 /nfs/dbraw/zinc/57/57/02/926575702.db2.gz LLDOBYOFHQZXKA-NEPJUHHUSA-N 1 1 324.385 -1.684 20 0 DAADMO C[N@H+](CCNC(=O)Cc1ccon1)CCNS(C)(=O)=O ZINC001420288142 926575910 /nfs/dbraw/zinc/57/59/10/926575910.db2.gz PQGBJAXGDRSJSS-UHFFFAOYSA-N 1 1 304.372 -1.186 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1ccon1)CCNS(C)(=O)=O ZINC001420288142 926575914 /nfs/dbraw/zinc/57/59/14/926575914.db2.gz PQGBJAXGDRSJSS-UHFFFAOYSA-N 1 1 304.372 -1.186 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1COC(=O)N1 ZINC001420277709 926575943 /nfs/dbraw/zinc/57/59/43/926575943.db2.gz WAHDCCYJIIGXLE-RKDXNWHRSA-N 1 1 324.341 -1.489 20 0 DAADMO C[N@H+](CCNC(=O)c1nccnc1N)CCNS(C)(=O)=O ZINC001420277918 926576262 /nfs/dbraw/zinc/57/62/62/926576262.db2.gz HDZZPXYYZQYFGS-UHFFFAOYSA-N 1 1 316.387 -1.730 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1N)CCNS(C)(=O)=O ZINC001420277918 926576271 /nfs/dbraw/zinc/57/62/71/926576271.db2.gz HDZZPXYYZQYFGS-UHFFFAOYSA-N 1 1 316.387 -1.730 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001420305756 926576817 /nfs/dbraw/zinc/57/68/17/926576817.db2.gz DLKGYVBIMAXUFH-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1nnn(C)n1)S(C)(=O)=O ZINC001420289768 926576997 /nfs/dbraw/zinc/57/69/97/926576997.db2.gz NDOPTPDBSIPNBP-UHFFFAOYSA-N 1 1 319.391 -2.237 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1nnn(C)n1)S(C)(=O)=O ZINC001420289768 926577002 /nfs/dbraw/zinc/57/70/02/926577002.db2.gz NDOPTPDBSIPNBP-UHFFFAOYSA-N 1 1 319.391 -2.237 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001420305769 926577319 /nfs/dbraw/zinc/57/73/19/926577319.db2.gz DLKGYVBIMAXUFH-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001420303501 926577383 /nfs/dbraw/zinc/57/73/83/926577383.db2.gz DTMMUMJSZAZDOG-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001420303501 926577402 /nfs/dbraw/zinc/57/74/02/926577402.db2.gz DTMMUMJSZAZDOG-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001420305117 926577630 /nfs/dbraw/zinc/57/76/30/926577630.db2.gz FKMQRXNNBJGRCA-SNVBAGLBSA-N 1 1 312.370 -1.220 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294419 926578168 /nfs/dbraw/zinc/57/81/68/926578168.db2.gz OMAKHTDESVSLTK-UWVGGRQHSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294419 926578177 /nfs/dbraw/zinc/57/81/77/926578177.db2.gz OMAKHTDESVSLTK-UWVGGRQHSA-N 1 1 318.374 -1.460 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001420296863 926578512 /nfs/dbraw/zinc/57/85/12/926578512.db2.gz IPGONRSEIVYHSY-SECBINFHSA-N 1 1 313.362 -2.091 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cc(=O)n(C)cn1 ZINC001420313929 926579785 /nfs/dbraw/zinc/57/97/85/926579785.db2.gz LGRGTNPBCZGBHA-BDAKNGLRSA-N 1 1 320.357 -1.227 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)nn1 ZINC001420328161 926580860 /nfs/dbraw/zinc/58/08/60/926580860.db2.gz NVBLVLDAQGADGU-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)nn1 ZINC001420328161 926580863 /nfs/dbraw/zinc/58/08/63/926580863.db2.gz NVBLVLDAQGADGU-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001420326210 926580910 /nfs/dbraw/zinc/58/09/10/926580910.db2.gz MQJAYNXHIDTOLJ-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO COc1c[nH]c(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)cc1=O ZINC001420320420 926580948 /nfs/dbraw/zinc/58/09/48/926580948.db2.gz QCRQQRJGFZSBAZ-MRVPVSSYSA-N 1 1 321.341 -1.185 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001420343683 926582031 /nfs/dbraw/zinc/58/20/31/926582031.db2.gz HPYQNQLFEJOEOP-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001420343683 926582040 /nfs/dbraw/zinc/58/20/40/926582040.db2.gz HPYQNQLFEJOEOP-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001420347940 926582358 /nfs/dbraw/zinc/58/23/58/926582358.db2.gz UMTBGZGVEGBZSB-SECBINFHSA-N 1 1 309.326 -1.964 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001420347940 926582366 /nfs/dbraw/zinc/58/23/66/926582366.db2.gz UMTBGZGVEGBZSB-SECBINFHSA-N 1 1 309.326 -1.964 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001420328932 926582781 /nfs/dbraw/zinc/58/27/81/926582781.db2.gz KHNXBDKROJQQLK-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001420328932 926582790 /nfs/dbraw/zinc/58/27/90/926582790.db2.gz KHNXBDKROJQQLK-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cnn(C)n1 ZINC001420341035 926582946 /nfs/dbraw/zinc/58/29/46/926582946.db2.gz ZQHDCQOSADWSAE-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCCN(C)C1=O ZINC001420365748 926584966 /nfs/dbraw/zinc/58/49/66/926584966.db2.gz DQBCXAVGPQHDDB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cccn1)CC(=O)NC(N)=O ZINC001420375662 926587163 /nfs/dbraw/zinc/58/71/63/926587163.db2.gz YMEDHDFDTLMNRJ-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cccn1)CC(=O)NC(N)=O ZINC001420375662 926587175 /nfs/dbraw/zinc/58/71/75/926587175.db2.gz YMEDHDFDTLMNRJ-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCNS(C)(=O)=O ZINC001420421184 926589522 /nfs/dbraw/zinc/58/95/22/926589522.db2.gz HHDNDZNKDVXHIT-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1ccnn1C ZINC001420416442 926589671 /nfs/dbraw/zinc/58/96/71/926589671.db2.gz SSRGNXUCOUJGDJ-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1ccnn1C ZINC001420416442 926589676 /nfs/dbraw/zinc/58/96/76/926589676.db2.gz SSRGNXUCOUJGDJ-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1CCF ZINC001420396986 926590058 /nfs/dbraw/zinc/59/00/58/926590058.db2.gz LTRQVECUADOBNM-VIFPVBQESA-N 1 1 300.338 -1.022 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001420441912 926591439 /nfs/dbraw/zinc/59/14/39/926591439.db2.gz PZOHESILGMSKGQ-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001420441912 926591442 /nfs/dbraw/zinc/59/14/42/926591442.db2.gz PZOHESILGMSKGQ-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001420433238 926591721 /nfs/dbraw/zinc/59/17/21/926591721.db2.gz HUQHGXGVJUJIFJ-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001420441916 926591780 /nfs/dbraw/zinc/59/17/80/926591780.db2.gz PZOHESILGMSKGQ-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001420441916 926591786 /nfs/dbraw/zinc/59/17/86/926591786.db2.gz PZOHESILGMSKGQ-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001420441914 926592661 /nfs/dbraw/zinc/59/26/61/926592661.db2.gz PZOHESILGMSKGQ-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001420441914 926592669 /nfs/dbraw/zinc/59/26/69/926592669.db2.gz PZOHESILGMSKGQ-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001420451367 926593407 /nfs/dbraw/zinc/59/34/07/926593407.db2.gz BPGGDNBYCUWHER-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001420451367 926593417 /nfs/dbraw/zinc/59/34/17/926593417.db2.gz BPGGDNBYCUWHER-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001420477956 926594493 /nfs/dbraw/zinc/59/44/93/926594493.db2.gz FQCDRWMWWCEFNR-YUMQZZPRSA-N 1 1 305.360 -1.398 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420478483 926595051 /nfs/dbraw/zinc/59/50/51/926595051.db2.gz BJDTWZUEPVINDI-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001420496074 926595693 /nfs/dbraw/zinc/59/56/93/926595693.db2.gz VOSJZBBPCYUHHC-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001420500142 926595860 /nfs/dbraw/zinc/59/58/60/926595860.db2.gz JLUQFVKMDHEMNP-LLVKDONJSA-N 1 1 320.415 -1.890 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)COC ZINC001420492456 926597051 /nfs/dbraw/zinc/59/70/51/926597051.db2.gz JIIORYWMPAXCPS-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001420500146 926597197 /nfs/dbraw/zinc/59/71/97/926597197.db2.gz JLUQFVKMDHEMNP-NSHDSACASA-N 1 1 320.415 -1.890 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001420498220 926597428 /nfs/dbraw/zinc/59/74/28/926597428.db2.gz WSXUQOSZIJOZIN-LLVKDONJSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001420498220 926597430 /nfs/dbraw/zinc/59/74/30/926597430.db2.gz WSXUQOSZIJOZIN-LLVKDONJSA-N 1 1 319.365 -1.123 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)cn1 ZINC001420502484 926597643 /nfs/dbraw/zinc/59/76/43/926597643.db2.gz BZEOGCZFODECOT-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001420533925 926598705 /nfs/dbraw/zinc/59/87/05/926598705.db2.gz UGLFLIGFEIDMGN-NWDGAFQWSA-N 1 1 324.381 -1.161 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001420531252 926598802 /nfs/dbraw/zinc/59/88/02/926598802.db2.gz NTTZAAHTKJJBEB-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001420537289 926599048 /nfs/dbraw/zinc/59/90/48/926599048.db2.gz JLFKVRZELOCOFN-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001420537289 926599053 /nfs/dbraw/zinc/59/90/53/926599053.db2.gz JLFKVRZELOCOFN-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001420538649 926599321 /nfs/dbraw/zinc/59/93/21/926599321.db2.gz IGHOKFXLPNSVJJ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001420538649 926599328 /nfs/dbraw/zinc/59/93/28/926599328.db2.gz IGHOKFXLPNSVJJ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001420519624 926600148 /nfs/dbraw/zinc/60/01/48/926600148.db2.gz MUBGLPLFBXBSJV-GXSJLCMTSA-N 1 1 309.374 -1.185 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001420548098 926600931 /nfs/dbraw/zinc/60/09/31/926600931.db2.gz YOYKVZNWZGNILI-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001420576344 926600960 /nfs/dbraw/zinc/60/09/60/926600960.db2.gz PCVFZZFAQUGDMM-UWVGGRQHSA-N 1 1 313.358 -1.444 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001420555196 926600992 /nfs/dbraw/zinc/60/09/92/926600992.db2.gz XECRRDWUGVEAIT-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001420551394 926601381 /nfs/dbraw/zinc/60/13/81/926601381.db2.gz FXNUGFGIXNVDHU-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001420551394 926601389 /nfs/dbraw/zinc/60/13/89/926601389.db2.gz FXNUGFGIXNVDHU-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001420548167 926601798 /nfs/dbraw/zinc/60/17/98/926601798.db2.gz YGUQFIFIRDIPOA-KGLIPLIRSA-N 1 1 324.425 -1.107 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001420576350 926602029 /nfs/dbraw/zinc/60/20/29/926602029.db2.gz PCVFZZFAQUGDMM-ZJUUUORDSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420572361 926602187 /nfs/dbraw/zinc/60/21/87/926602187.db2.gz RRAMXCZQRIDDBE-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001420593316 926603301 /nfs/dbraw/zinc/60/33/01/926603301.db2.gz AYOLTRSKELYHJW-MRVPVSSYSA-N 1 1 301.347 -2.840 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001420593316 926603308 /nfs/dbraw/zinc/60/33/08/926603308.db2.gz AYOLTRSKELYHJW-MRVPVSSYSA-N 1 1 301.347 -2.840 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420603749 926603427 /nfs/dbraw/zinc/60/34/27/926603427.db2.gz VEQPLKLWSFFNBO-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420603749 926603432 /nfs/dbraw/zinc/60/34/32/926603432.db2.gz VEQPLKLWSFFNBO-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420577607 926603451 /nfs/dbraw/zinc/60/34/51/926603451.db2.gz AZRRTYQGLRDWAB-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420577607 926603455 /nfs/dbraw/zinc/60/34/55/926603455.db2.gz AZRRTYQGLRDWAB-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420585744 926603943 /nfs/dbraw/zinc/60/39/43/926603943.db2.gz ZDMOXSNDLTZSOZ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420585748 926604400 /nfs/dbraw/zinc/60/44/00/926604400.db2.gz ZDMOXSNDLTZSOZ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnon1 ZINC001420644365 926605778 /nfs/dbraw/zinc/60/57/78/926605778.db2.gz IFZLWFCHBRMYDN-QMMMGPOBSA-N 1 1 305.360 -1.331 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnon1 ZINC001420644365 926605788 /nfs/dbraw/zinc/60/57/88/926605788.db2.gz IFZLWFCHBRMYDN-QMMMGPOBSA-N 1 1 305.360 -1.331 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001420651912 926605867 /nfs/dbraw/zinc/60/58/67/926605867.db2.gz ALXANCOWARBKHW-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCOC1 ZINC001420623319 926605910 /nfs/dbraw/zinc/60/59/10/926605910.db2.gz WAJSSWDGALEZPD-WDEREUQCSA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001420647051 926606623 /nfs/dbraw/zinc/60/66/23/926606623.db2.gz LGYPPULLQNYOLK-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001420647051 926606629 /nfs/dbraw/zinc/60/66/29/926606629.db2.gz LGYPPULLQNYOLK-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001420645400 926606677 /nfs/dbraw/zinc/60/66/77/926606677.db2.gz VPQROCMWLOQRQU-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001420645400 926606684 /nfs/dbraw/zinc/60/66/84/926606684.db2.gz VPQROCMWLOQRQU-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001420628600 926606826 /nfs/dbraw/zinc/60/68/26/926606826.db2.gz IKSMZNYQCKZXNN-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001420628600 926606835 /nfs/dbraw/zinc/60/68/35/926606835.db2.gz IKSMZNYQCKZXNN-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001420652550 926607240 /nfs/dbraw/zinc/60/72/40/926607240.db2.gz DRCNNUXDGZZNKP-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001420652550 926607246 /nfs/dbraw/zinc/60/72/46/926607246.db2.gz DRCNNUXDGZZNKP-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001420670407 926608053 /nfs/dbraw/zinc/60/80/53/926608053.db2.gz HDDVDUXPFMIJEC-MNOVXSKESA-N 1 1 312.370 -1.162 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001420664189 926608417 /nfs/dbraw/zinc/60/84/17/926608417.db2.gz NVMYUZCTIXFNAF-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001420664178 926608794 /nfs/dbraw/zinc/60/87/94/926608794.db2.gz NVMYUZCTIXFNAF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001420659499 926609000 /nfs/dbraw/zinc/60/90/00/926609000.db2.gz KUKARQLFGGUQSM-SNVBAGLBSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420660691 926609014 /nfs/dbraw/zinc/60/90/14/926609014.db2.gz YFNSXBWCKKBQEY-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420660691 926609016 /nfs/dbraw/zinc/60/90/16/926609016.db2.gz YFNSXBWCKKBQEY-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001420664198 926609027 /nfs/dbraw/zinc/60/90/27/926609027.db2.gz NVMYUZCTIXFNAF-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001420664169 926609146 /nfs/dbraw/zinc/60/91/46/926609146.db2.gz NVMYUZCTIXFNAF-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001420669804 926609283 /nfs/dbraw/zinc/60/92/83/926609283.db2.gz YOSYYWQOJKDTFJ-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001420669804 926609286 /nfs/dbraw/zinc/60/92/86/926609286.db2.gz YOSYYWQOJKDTFJ-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CS(C)(=O)=O)c1nncn1C ZINC001420714853 926610284 /nfs/dbraw/zinc/61/02/84/926610284.db2.gz LJGJPMMXPCXNHP-SECBINFHSA-N 1 1 303.388 -1.031 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001420712781 926610517 /nfs/dbraw/zinc/61/05/17/926610517.db2.gz XXEVHTHUQSBQGU-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001420692930 926610571 /nfs/dbraw/zinc/61/05/71/926610571.db2.gz GHMREBGANUQLME-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001420692930 926610576 /nfs/dbraw/zinc/61/05/76/926610576.db2.gz GHMREBGANUQLME-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO O=C(Cn1cncn1)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001420704519 926610629 /nfs/dbraw/zinc/61/06/29/926610629.db2.gz HRDNMXHNRUPIQL-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO COC(=O)c1cnc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cn1 ZINC001420705406 926610693 /nfs/dbraw/zinc/61/06/93/926610693.db2.gz LWUHEVXJBRREDG-UHFFFAOYSA-N 1 1 321.337 -1.233 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001420689850 926610897 /nfs/dbraw/zinc/61/08/97/926610897.db2.gz ILZRXVPPBOVKKP-QMMMGPOBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001420689850 926610902 /nfs/dbraw/zinc/61/09/02/926610902.db2.gz ILZRXVPPBOVKKP-QMMMGPOBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)c1c[nH]c(=O)cn1)c1nnnn1C ZINC001420722032 926612556 /nfs/dbraw/zinc/61/25/56/926612556.db2.gz DUKPERHMTQXHFS-QMMMGPOBSA-N 1 1 306.330 -1.284 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001420803484 926616509 /nfs/dbraw/zinc/61/65/09/926616509.db2.gz KWTPCFZNXRIIPF-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001420803484 926616519 /nfs/dbraw/zinc/61/65/19/926616519.db2.gz KWTPCFZNXRIIPF-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001420792675 926616751 /nfs/dbraw/zinc/61/67/51/926616751.db2.gz VHYKQQXQIDADOR-PHIMTYICSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001420792099 926616917 /nfs/dbraw/zinc/61/69/17/926616917.db2.gz BUKMHYITLOEGHW-QWHCGFSZSA-N 1 1 309.370 -1.429 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420831403 926618687 /nfs/dbraw/zinc/61/86/87/926618687.db2.gz HLKQMFOVKLGMCH-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420831397 926618762 /nfs/dbraw/zinc/61/87/62/926618762.db2.gz HLKQMFOVKLGMCH-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420831220 926619328 /nfs/dbraw/zinc/61/93/28/926619328.db2.gz GUDKGIDRQIPGST-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO COCC[N@H+]1CC[C@@H](CCNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420831731 926619411 /nfs/dbraw/zinc/61/94/11/926619411.db2.gz DGQSNXJPLJLPNH-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO COCC[N@H+]1CC[C@H](CCNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420831733 926619742 /nfs/dbraw/zinc/61/97/42/926619742.db2.gz DGQSNXJPLJLPNH-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001420834903 926619756 /nfs/dbraw/zinc/61/97/56/926619756.db2.gz MJPUWKSYUZZJQJ-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420826080 926619990 /nfs/dbraw/zinc/61/99/90/926619990.db2.gz OCSUWBIQFPYGTE-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420846273 926621221 /nfs/dbraw/zinc/62/12/21/926621221.db2.gz FUTLRLZOKZURCF-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001420842286 926621321 /nfs/dbraw/zinc/62/13/21/926621321.db2.gz ZKFUQBKTWHZYGV-LBPRGKRZSA-N 1 1 319.427 -1.158 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001420839623 926621436 /nfs/dbraw/zinc/62/14/36/926621436.db2.gz JGHJNSIQUICLAM-GXSJLCMTSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001420839637 926621520 /nfs/dbraw/zinc/62/15/20/926621520.db2.gz JGHJNSIQUICLAM-ONGXEEELSA-N 1 1 300.359 -2.190 20 0 DAADMO O=C(CCn1cnnn1)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420880575 926622849 /nfs/dbraw/zinc/62/28/49/926622849.db2.gz YGUDOTIRMJEPJG-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001420878866 926623140 /nfs/dbraw/zinc/62/31/40/926623140.db2.gz UCYWHWYQNGBMLX-WDEREUQCSA-N 1 1 309.374 -1.223 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420865302 926623211 /nfs/dbraw/zinc/62/32/11/926623211.db2.gz BSEAVVHDNUFOOL-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCn1cnnn1)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420880569 926623352 /nfs/dbraw/zinc/62/33/52/926623352.db2.gz YGUDOTIRMJEPJG-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1nn(CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001420891854 926624724 /nfs/dbraw/zinc/62/47/24/926624724.db2.gz QXFYLXJHOIGPMD-NSHDSACASA-N 1 1 324.385 -1.796 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001420905577 926626185 /nfs/dbraw/zinc/62/61/85/926626185.db2.gz BKGLIEZBYAJPDJ-NSHDSACASA-N 1 1 324.385 -1.475 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001420932535 926628386 /nfs/dbraw/zinc/62/83/86/926628386.db2.gz XTPGARMBMKRHJH-SDDRHHMPSA-N 1 1 316.402 -1.169 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001420934025 926629232 /nfs/dbraw/zinc/62/92/32/926629232.db2.gz ZNODTUHXKKNAJW-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001420957362 926629535 /nfs/dbraw/zinc/62/95/35/926629535.db2.gz VTTUWTWIAMYXJQ-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001420936645 926629897 /nfs/dbraw/zinc/62/98/97/926629897.db2.gz HXKIKMPOQAZAOF-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001420947912 926630622 /nfs/dbraw/zinc/63/06/22/926630622.db2.gz QUVAADRDBPMUJX-NSHDSACASA-N 1 1 307.416 -1.172 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001420985403 926631402 /nfs/dbraw/zinc/63/14/02/926631402.db2.gz DGFFARAXLMGCRZ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001420985403 926631410 /nfs/dbraw/zinc/63/14/10/926631410.db2.gz DGFFARAXLMGCRZ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1ncc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001420984185 926631487 /nfs/dbraw/zinc/63/14/87/926631487.db2.gz PZOYUHVEFPUTSC-UHFFFAOYSA-N 1 1 306.330 -1.711 20 0 DAADMO COC[C@@H](OC)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001420983380 926631701 /nfs/dbraw/zinc/63/17/01/926631701.db2.gz REXCFQYHTGMORX-SECBINFHSA-N 1 1 313.358 -1.492 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001420968348 926631728 /nfs/dbraw/zinc/63/17/28/926631728.db2.gz LKHKBWYRXBONRX-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001420960449 926632026 /nfs/dbraw/zinc/63/20/26/926632026.db2.gz ZXAPVIBORLQVBK-SECBINFHSA-N 1 1 307.354 -1.007 20 0 DAADMO COC[C@H](OC)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001420983385 926632247 /nfs/dbraw/zinc/63/22/47/926632247.db2.gz REXCFQYHTGMORX-VIFPVBQESA-N 1 1 313.358 -1.492 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001421016546 926634316 /nfs/dbraw/zinc/63/43/16/926634316.db2.gz WDVOZDXJTAQPKE-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421043769 926637372 /nfs/dbraw/zinc/63/73/72/926637372.db2.gz UZHSUQIGWBRFBH-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001421058157 926639124 /nfs/dbraw/zinc/63/91/24/926639124.db2.gz QAIQMWKGLPOVJV-LBPRGKRZSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(CCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001421096275 926642720 /nfs/dbraw/zinc/64/27/20/926642720.db2.gz LHFVCXCBTOEZFE-NSHDSACASA-N 1 1 318.443 -1.370 20 0 DAADMO CN(CCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC001421096272 926643627 /nfs/dbraw/zinc/64/36/27/926643627.db2.gz LHFVCXCBTOEZFE-LLVKDONJSA-N 1 1 318.443 -1.370 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421101000 926644210 /nfs/dbraw/zinc/64/42/10/926644210.db2.gz VKZGYJASNBFQDW-SNVBAGLBSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001421100652 926644751 /nfs/dbraw/zinc/64/47/51/926644751.db2.gz MHWDHTBXHPEMNV-AOOOYVTPSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421100996 926645123 /nfs/dbraw/zinc/64/51/23/926645123.db2.gz VKZGYJASNBFQDW-JTQLQIEISA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001421116831 926646306 /nfs/dbraw/zinc/64/63/06/926646306.db2.gz WMBZCZVIKTVHSJ-MWLCHTKSSA-N 1 1 305.400 -1.361 20 0 DAADMO CO[C@H](C)C(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001421116956 926646741 /nfs/dbraw/zinc/64/67/41/926646741.db2.gz XLBZGYGNQODLSY-SNVBAGLBSA-N 1 1 307.416 -1.039 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001421145188 926649836 /nfs/dbraw/zinc/64/98/36/926649836.db2.gz PYLNDNDLYRGGIK-SNVBAGLBSA-N 1 1 322.369 -1.177 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001421171511 926651986 /nfs/dbraw/zinc/65/19/86/926651986.db2.gz MXSDMLNPIOCEIO-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001421180341 926653275 /nfs/dbraw/zinc/65/32/75/926653275.db2.gz VFXSZGSSWIFKOD-UHFFFAOYSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O ZINC001421205232 926654638 /nfs/dbraw/zinc/65/46/38/926654638.db2.gz RATIUDQASADZGT-VWYCJHECSA-N 1 1 319.427 -1.020 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001421209251 926654666 /nfs/dbraw/zinc/65/46/66/926654666.db2.gz UVVGBWVHAGKKQC-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001421209251 926654676 /nfs/dbraw/zinc/65/46/76/926654676.db2.gz UVVGBWVHAGKKQC-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211828 926655074 /nfs/dbraw/zinc/65/50/74/926655074.db2.gz UMVGEWJJLIVVBH-SKDRFNHKSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211828 926655080 /nfs/dbraw/zinc/65/50/80/926655080.db2.gz UMVGEWJJLIVVBH-SKDRFNHKSA-N 1 1 320.415 -1.491 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O)C(N)=O ZINC001421203215 926655251 /nfs/dbraw/zinc/65/52/51/926655251.db2.gz JVNJINYHFAZIKO-VGDYDELISA-N 1 1 312.370 -1.968 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207338 926655485 /nfs/dbraw/zinc/65/54/85/926655485.db2.gz NEJUNKIMWAEFIJ-SKDRFNHKSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207338 926655489 /nfs/dbraw/zinc/65/54/89/926655489.db2.gz NEJUNKIMWAEFIJ-SKDRFNHKSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001421234977 926656679 /nfs/dbraw/zinc/65/66/79/926656679.db2.gz WNXZQUHJPPPGKY-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@]1(NC(=O)Cn2ncn3nccc3c2=O)CC[N@@H+](CCO)C1 ZINC001421222251 926656709 /nfs/dbraw/zinc/65/67/09/926656709.db2.gz NWDXQXZQLHPVCK-AWEZNQCLSA-N 1 1 320.353 -1.536 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421215602 926656787 /nfs/dbraw/zinc/65/67/87/926656787.db2.gz ZUMPOZZGJPWWOF-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421215602 926656792 /nfs/dbraw/zinc/65/67/92/926656792.db2.gz ZUMPOZZGJPWWOF-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001421234980 926657114 /nfs/dbraw/zinc/65/71/14/926657114.db2.gz WNXZQUHJPPPGKY-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421223284 926657206 /nfs/dbraw/zinc/65/72/06/926657206.db2.gz QVHDUCQLWGQXKM-CYBMUJFWSA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421223284 926657215 /nfs/dbraw/zinc/65/72/15/926657215.db2.gz QVHDUCQLWGQXKM-CYBMUJFWSA-N 1 1 309.374 -1.117 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421212221 926657442 /nfs/dbraw/zinc/65/74/42/926657442.db2.gz COCULGUWFXMFLB-MWLCHTKSSA-N 1 1 308.404 -1.998 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001421227956 926657516 /nfs/dbraw/zinc/65/75/16/926657516.db2.gz XQYOROWDZPZZIZ-IINYFYTJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001421227956 926657522 /nfs/dbraw/zinc/65/75/22/926657522.db2.gz XQYOROWDZPZZIZ-IINYFYTJSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001421244182 926657668 /nfs/dbraw/zinc/65/76/68/926657668.db2.gz IWSZIXFEYLSDJX-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421215598 926657970 /nfs/dbraw/zinc/65/79/70/926657970.db2.gz ZUMPOZZGJPWWOF-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421215598 926657974 /nfs/dbraw/zinc/65/79/74/926657974.db2.gz ZUMPOZZGJPWWOF-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001421293176 926659782 /nfs/dbraw/zinc/65/97/82/926659782.db2.gz UJXYQBUGVAVIRP-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001421293176 926659790 /nfs/dbraw/zinc/65/97/90/926659790.db2.gz UJXYQBUGVAVIRP-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCS(=O)(=O)NC)C1 ZINC001421300439 926660578 /nfs/dbraw/zinc/66/05/78/926660578.db2.gz JSIJQTPFSKVXDR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCS(=O)(=O)NC)C1 ZINC001421300439 926660581 /nfs/dbraw/zinc/66/05/81/926660581.db2.gz JSIJQTPFSKVXDR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001421294152 926660995 /nfs/dbraw/zinc/66/09/95/926660995.db2.gz VZNUWTBEEXDYMJ-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001421294152 926661000 /nfs/dbraw/zinc/66/10/00/926661000.db2.gz VZNUWTBEEXDYMJ-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001421265472 926661033 /nfs/dbraw/zinc/66/10/33/926661033.db2.gz HKPIWBFVRZVUOY-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421303119 926661676 /nfs/dbraw/zinc/66/16/76/926661676.db2.gz QEAHNEWRFFTLDT-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421303119 926661684 /nfs/dbraw/zinc/66/16/84/926661684.db2.gz QEAHNEWRFFTLDT-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001421320010 926661886 /nfs/dbraw/zinc/66/18/86/926661886.db2.gz ADWNGVFOXCKMNF-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001421320010 926661893 /nfs/dbraw/zinc/66/18/93/926661893.db2.gz ADWNGVFOXCKMNF-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001421302966 926661972 /nfs/dbraw/zinc/66/19/72/926661972.db2.gz OYYAYEOBCWCHPM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001421302966 926661982 /nfs/dbraw/zinc/66/19/82/926661982.db2.gz OYYAYEOBCWCHPM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC)C1 ZINC001421318687 926662087 /nfs/dbraw/zinc/66/20/87/926662087.db2.gz LIIAISCQYCQECP-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC)C1 ZINC001421318687 926662096 /nfs/dbraw/zinc/66/20/96/926662096.db2.gz LIIAISCQYCQECP-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001421313606 926662347 /nfs/dbraw/zinc/66/23/47/926662347.db2.gz UUWGWWLYBAMVOJ-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001421313606 926662352 /nfs/dbraw/zinc/66/23/52/926662352.db2.gz UUWGWWLYBAMVOJ-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001421308451 926662490 /nfs/dbraw/zinc/66/24/90/926662490.db2.gz DCBSOUAAGFIRMD-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311688 926662621 /nfs/dbraw/zinc/66/26/21/926662621.db2.gz NJAYCJKITVOGET-NXEZZACHSA-N 1 1 320.415 -1.538 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311688 926662625 /nfs/dbraw/zinc/66/26/25/926662625.db2.gz NJAYCJKITVOGET-NXEZZACHSA-N 1 1 320.415 -1.538 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320396 926662895 /nfs/dbraw/zinc/66/28/95/926662895.db2.gz PMVXWVLGMLOTDH-YMTOWFKASA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320396 926662897 /nfs/dbraw/zinc/66/28/97/926662897.db2.gz PMVXWVLGMLOTDH-YMTOWFKASA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320005 926663566 /nfs/dbraw/zinc/66/35/66/926663566.db2.gz PMVXWVLGMLOTDH-OTYXRUKQSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320005 926663573 /nfs/dbraw/zinc/66/35/73/926663573.db2.gz PMVXWVLGMLOTDH-OTYXRUKQSA-N 1 1 312.370 -1.064 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001421317204 926663694 /nfs/dbraw/zinc/66/36/94/926663694.db2.gz HDLJOKXPORSJRI-GXTWGEPZSA-N 1 1 312.370 -1.557 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)OC)C1 ZINC001421333949 926664774 /nfs/dbraw/zinc/66/47/74/926664774.db2.gz BGKBJLPXZIYJSL-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001421330426 926665107 /nfs/dbraw/zinc/66/51/07/926665107.db2.gz OEBGQTBWYIBZBN-RNCFNFMXSA-N 1 1 300.359 -2.190 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001421338437 926665344 /nfs/dbraw/zinc/66/53/44/926665344.db2.gz IZZROJJMIDLRHT-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001421338437 926665355 /nfs/dbraw/zinc/66/53/55/926665355.db2.gz IZZROJJMIDLRHT-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CC(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421334521 926665843 /nfs/dbraw/zinc/66/58/43/926665843.db2.gz XEXWZLRTXJUBRC-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO CC(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421334521 926665851 /nfs/dbraw/zinc/66/58/51/926665851.db2.gz XEXWZLRTXJUBRC-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421331007 926666347 /nfs/dbraw/zinc/66/63/47/926666347.db2.gz NDZODYPBDYALEO-ZDUSSCGKSA-N 1 1 320.357 -1.877 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]n1 ZINC001421337890 926666406 /nfs/dbraw/zinc/66/64/06/926666406.db2.gz LEIHIDXBCDSEFZ-SMDDNHRTSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]n1 ZINC001421337890 926666415 /nfs/dbraw/zinc/66/64/15/926666415.db2.gz LEIHIDXBCDSEFZ-SMDDNHRTSA-N 1 1 307.354 -1.227 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421335490 926666902 /nfs/dbraw/zinc/66/69/02/926666902.db2.gz CSUGUJWWXKKGHK-ZANVPECISA-N 1 1 316.358 -1.983 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421335490 926666908 /nfs/dbraw/zinc/66/69/08/926666908.db2.gz CSUGUJWWXKKGHK-ZANVPECISA-N 1 1 316.358 -1.983 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnc2)C1 ZINC001421331197 926666949 /nfs/dbraw/zinc/66/69/49/926666949.db2.gz PHSJMNJPMUIPQD-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnc2)C1 ZINC001421331197 926666953 /nfs/dbraw/zinc/66/69/53/926666953.db2.gz PHSJMNJPMUIPQD-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421345327 926667889 /nfs/dbraw/zinc/66/78/89/926667889.db2.gz FIDSBNLMVVXVIJ-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421345327 926667895 /nfs/dbraw/zinc/66/78/95/926667895.db2.gz FIDSBNLMVVXVIJ-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCn1cncn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421346407 926668310 /nfs/dbraw/zinc/66/83/10/926668310.db2.gz ZSEUAICJRPJSST-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1cncn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421346407 926668315 /nfs/dbraw/zinc/66/83/15/926668315.db2.gz ZSEUAICJRPJSST-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001421348616 926668372 /nfs/dbraw/zinc/66/83/72/926668372.db2.gz MKULHHJRIYRNAD-LKFCYVNXSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001421348616 926668378 /nfs/dbraw/zinc/66/83/78/926668378.db2.gz MKULHHJRIYRNAD-LKFCYVNXSA-N 1 1 310.354 -1.048 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421342854 926668505 /nfs/dbraw/zinc/66/85/05/926668505.db2.gz VNWSOJYGKIOHRL-DOMZBBRYSA-N 1 1 323.397 -1.221 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348447 926668635 /nfs/dbraw/zinc/66/86/35/926668635.db2.gz KJWONLQFONMZMB-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348447 926668643 /nfs/dbraw/zinc/66/86/43/926668643.db2.gz KJWONLQFONMZMB-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC2CC2)C1 ZINC001421343796 926668707 /nfs/dbraw/zinc/66/87/07/926668707.db2.gz XZKFKWHMECZADO-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC2CC2)C1 ZINC001421343796 926668713 /nfs/dbraw/zinc/66/87/13/926668713.db2.gz XZKFKWHMECZADO-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001421343097 926668748 /nfs/dbraw/zinc/66/87/48/926668748.db2.gz DKZNKHXPGMOYPJ-IINYFYTJSA-N 1 1 324.385 -1.470 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347364 926668797 /nfs/dbraw/zinc/66/87/97/926668797.db2.gz DEBDLHTWWIOUQX-QMTHXVAHSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347364 926668803 /nfs/dbraw/zinc/66/88/03/926668803.db2.gz DEBDLHTWWIOUQX-QMTHXVAHSA-N 1 1 324.385 -1.575 20 0 DAADMO O=C(COCC1CC1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421339715 926669145 /nfs/dbraw/zinc/66/91/45/926669145.db2.gz OZTQIJZLBFTJBB-SWLSCSKDSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(COCC1CC1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421339715 926669155 /nfs/dbraw/zinc/66/91/55/926669155.db2.gz OZTQIJZLBFTJBB-SWLSCSKDSA-N 1 1 311.382 -1.146 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421341067 926669908 /nfs/dbraw/zinc/66/99/08/926669908.db2.gz STVWZTHNUKZBCH-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421341067 926669915 /nfs/dbraw/zinc/66/99/15/926669915.db2.gz STVWZTHNUKZBCH-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421343585 926670067 /nfs/dbraw/zinc/67/00/67/926670067.db2.gz XGZOMTQIQXRCEI-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421343585 926670072 /nfs/dbraw/zinc/67/00/72/926670072.db2.gz XGZOMTQIQXRCEI-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421341060 926670282 /nfs/dbraw/zinc/67/02/82/926670282.db2.gz STVWZTHNUKZBCH-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421341060 926670294 /nfs/dbraw/zinc/67/02/94/926670294.db2.gz STVWZTHNUKZBCH-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421355821 926671459 /nfs/dbraw/zinc/67/14/59/926671459.db2.gz ICLVVPCIPPUBJJ-GXFFZTMASA-N 1 1 313.358 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001421356146 926671572 /nfs/dbraw/zinc/67/15/72/926671572.db2.gz YDQMNUQOLUMDDQ-IAQYHMDHSA-N 1 1 323.397 -1.350 20 0 DAADMO CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001421353620 926671689 /nfs/dbraw/zinc/67/16/89/926671689.db2.gz JSQIFQLBGXUVET-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001421348956 926672542 /nfs/dbraw/zinc/67/25/42/926672542.db2.gz LRVBXZACSNXMGK-LBPRGKRZSA-N 1 1 322.431 -1.703 20 0 DAADMO O=C(CCn1ccnn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421350745 926673229 /nfs/dbraw/zinc/67/32/29/926673229.db2.gz SHVKEQJDSKDXQB-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1ccnn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421350745 926673240 /nfs/dbraw/zinc/67/32/40/926673240.db2.gz SHVKEQJDSKDXQB-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001421356140 926674133 /nfs/dbraw/zinc/67/41/33/926674133.db2.gz CTHSPKFKOGZCMW-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001421356140 926674145 /nfs/dbraw/zinc/67/41/45/926674145.db2.gz CTHSPKFKOGZCMW-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)NC1=O ZINC001421366708 926675136 /nfs/dbraw/zinc/67/51/36/926675136.db2.gz FCDYALYGBIEMPM-GWCFXTLKSA-N 1 1 300.359 -2.055 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421362408 926675205 /nfs/dbraw/zinc/67/52/05/926675205.db2.gz ILMNVYKCQDMTPH-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421362408 926675210 /nfs/dbraw/zinc/67/52/10/926675210.db2.gz ILMNVYKCQDMTPH-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001421363394 926675489 /nfs/dbraw/zinc/67/54/89/926675489.db2.gz PVDIAVZQALRATP-OTYXRUKQSA-N 1 1 320.353 -1.100 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001421369482 926675721 /nfs/dbraw/zinc/67/57/21/926675721.db2.gz ASNTWNVVLWFGMX-AWEZNQCLSA-N 1 1 309.370 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001421369482 926675732 /nfs/dbraw/zinc/67/57/32/926675732.db2.gz ASNTWNVVLWFGMX-AWEZNQCLSA-N 1 1 309.370 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360541 926675782 /nfs/dbraw/zinc/67/57/82/926675782.db2.gz GEDIIWDYNUBELI-XPTSAGLGSA-N 1 1 323.353 -1.684 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360541 926675791 /nfs/dbraw/zinc/67/57/91/926675791.db2.gz GEDIIWDYNUBELI-XPTSAGLGSA-N 1 1 323.353 -1.684 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001421362556 926675990 /nfs/dbraw/zinc/67/59/90/926675990.db2.gz XBTHJDOMCAGEJX-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001421362556 926676006 /nfs/dbraw/zinc/67/60/06/926676006.db2.gz XBTHJDOMCAGEJX-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001421369681 926676318 /nfs/dbraw/zinc/67/63/18/926676318.db2.gz LDPFYIFKUYDDEL-INIZCTEOSA-N 1 1 324.425 -1.229 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001421368586 926676442 /nfs/dbraw/zinc/67/64/42/926676442.db2.gz ZSRJYNLPYGOEMC-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368459 926677092 /nfs/dbraw/zinc/67/70/92/926677092.db2.gz ZCCZLSBUAMXGNN-GWCFXTLKSA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368459 926677100 /nfs/dbraw/zinc/67/71/00/926677100.db2.gz ZCCZLSBUAMXGNN-GWCFXTLKSA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360523 926677269 /nfs/dbraw/zinc/67/72/69/926677269.db2.gz GEDIIWDYNUBELI-LKFCYVNXSA-N 1 1 323.353 -1.684 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360523 926677276 /nfs/dbraw/zinc/67/72/76/926677276.db2.gz GEDIIWDYNUBELI-LKFCYVNXSA-N 1 1 323.353 -1.684 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnc2n1CCOC2 ZINC001421373035 926678524 /nfs/dbraw/zinc/67/85/24/926678524.db2.gz XDVKTLOCWYWHSR-CQSZACIVSA-N 1 1 310.354 -1.428 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372279 926678790 /nfs/dbraw/zinc/67/87/90/926678790.db2.gz BBCDUPRTLQKOLW-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372279 926678801 /nfs/dbraw/zinc/67/88/01/926678801.db2.gz BBCDUPRTLQKOLW-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001421374052 926679130 /nfs/dbraw/zinc/67/91/30/926679130.db2.gz IMIMRVIDKJVAJT-SMDDNHRTSA-N 1 1 322.369 -1.846 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1)[C@@H]1CNC(=O)N1 ZINC001421376994 926679418 /nfs/dbraw/zinc/67/94/18/926679418.db2.gz NKMHXHWYHVUHQC-WFASDCNBSA-N 1 1 319.365 -1.184 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1C ZINC001421371025 926679539 /nfs/dbraw/zinc/67/95/39/926679539.db2.gz QBLQEJWJYYEFMR-CQSZACIVSA-N 1 1 310.354 -1.042 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372854 926679744 /nfs/dbraw/zinc/67/97/44/926679744.db2.gz JSQZZPSLECAGAN-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 ZINC001421372450 926679919 /nfs/dbraw/zinc/67/99/19/926679919.db2.gz IXITYLRFZLVAIZ-TYNCELHUSA-N 1 1 321.381 -1.406 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1)[C@@H]1CNC(=O)N1 ZINC001421376977 926680270 /nfs/dbraw/zinc/68/02/70/926680270.db2.gz NKMHXHWYHVUHQC-SWLSCSKDSA-N 1 1 319.365 -1.184 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001421377174 926680345 /nfs/dbraw/zinc/68/03/45/926680345.db2.gz RZWNOBAHCFOWAH-ISTVAULSSA-N 1 1 312.370 -2.074 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001421377174 926680353 /nfs/dbraw/zinc/68/03/53/926680353.db2.gz RZWNOBAHCFOWAH-ISTVAULSSA-N 1 1 312.370 -2.074 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001421369997 926680815 /nfs/dbraw/zinc/68/08/15/926680815.db2.gz XIBDNEZODBVDKK-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001421369997 926680819 /nfs/dbraw/zinc/68/08/19/926680819.db2.gz XIBDNEZODBVDKK-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421378138 926681349 /nfs/dbraw/zinc/68/13/49/926681349.db2.gz FBYQEPDAJYCONV-LLVKDONJSA-N 1 1 324.403 -3.072 20 0 DAADMO CCC1(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001421374833 926681373 /nfs/dbraw/zinc/68/13/73/926681373.db2.gz IZINEKXRUBITNT-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO CCC1(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001421374833 926681380 /nfs/dbraw/zinc/68/13/80/926681380.db2.gz IZINEKXRUBITNT-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001421386998 926682124 /nfs/dbraw/zinc/68/21/24/926682124.db2.gz CRXCXTUAQVHEEE-SWLSCSKDSA-N 1 1 321.381 -1.248 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421388473 926682940 /nfs/dbraw/zinc/68/29/40/926682940.db2.gz IDBGSVRWNBHITI-BXUZGUMPSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421388473 926682948 /nfs/dbraw/zinc/68/29/48/926682948.db2.gz IDBGSVRWNBHITI-BXUZGUMPSA-N 1 1 307.354 -1.675 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](C)O)C2)cnn1C ZINC001421391331 926683043 /nfs/dbraw/zinc/68/30/43/926683043.db2.gz HANAIHOIAJCAKE-IINYFYTJSA-N 1 1 312.370 -1.024 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421383659 926683375 /nfs/dbraw/zinc/68/33/75/926683375.db2.gz BVRCHPSNNVRRPK-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421383659 926683381 /nfs/dbraw/zinc/68/33/81/926683381.db2.gz BVRCHPSNNVRRPK-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421391011 926683453 /nfs/dbraw/zinc/68/34/53/926683453.db2.gz WKUHOMSHAMVING-KLFGWDPYSA-N 1 1 311.382 -1.434 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001421383226 926684038 /nfs/dbraw/zinc/68/40/38/926684038.db2.gz ZTCIGHMRPAHURE-OAHLLOKOSA-N 1 1 322.365 -1.242 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001421383226 926684049 /nfs/dbraw/zinc/68/40/49/926684049.db2.gz ZTCIGHMRPAHURE-OAHLLOKOSA-N 1 1 322.365 -1.242 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001421387626 926684073 /nfs/dbraw/zinc/68/40/73/926684073.db2.gz ZBBFNEUUDHSBJO-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001421387626 926684083 /nfs/dbraw/zinc/68/40/83/926684083.db2.gz ZBBFNEUUDHSBJO-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H](C)O)C2)cnn1C ZINC001421391351 926684743 /nfs/dbraw/zinc/68/47/43/926684743.db2.gz HANAIHOIAJCAKE-YGRLFVJLSA-N 1 1 312.370 -1.024 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001421403169 926686376 /nfs/dbraw/zinc/68/63/76/926686376.db2.gz CXMUUGIAGGGTEE-CABCVRRESA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421396825 926686644 /nfs/dbraw/zinc/68/66/44/926686644.db2.gz SMXGWUUPLJCMDI-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421398878 926686677 /nfs/dbraw/zinc/68/66/77/926686677.db2.gz SXWMEAFNIUQGBN-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421398878 926686689 /nfs/dbraw/zinc/68/66/89/926686689.db2.gz SXWMEAFNIUQGBN-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001421395085 926687125 /nfs/dbraw/zinc/68/71/25/926687125.db2.gz PHFOBSSNQAICCP-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001421395085 926687133 /nfs/dbraw/zinc/68/71/33/926687133.db2.gz PHFOBSSNQAICCP-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(Cl)n1 ZINC001421403213 926687376 /nfs/dbraw/zinc/68/73/76/926687376.db2.gz DBIIHUWMBSXBML-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(Cl)n1 ZINC001421403213 926687388 /nfs/dbraw/zinc/68/73/88/926687388.db2.gz DBIIHUWMBSXBML-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395194 926688639 /nfs/dbraw/zinc/68/86/39/926688639.db2.gz QESKVYHYRNBVAN-XHDPSFHLSA-N 1 1 322.365 -1.725 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395194 926688643 /nfs/dbraw/zinc/68/86/43/926688643.db2.gz QESKVYHYRNBVAN-XHDPSFHLSA-N 1 1 322.365 -1.725 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421394089 926688661 /nfs/dbraw/zinc/68/86/61/926688661.db2.gz KWYZFVCKMAWZID-CQSZACIVSA-N 1 1 301.387 -1.306 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421394020 926688770 /nfs/dbraw/zinc/68/87/70/926688770.db2.gz WTCOHHQKWGRVDD-OAHLLOKOSA-N 1 1 323.397 -1.301 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421394020 926688777 /nfs/dbraw/zinc/68/87/77/926688777.db2.gz WTCOHHQKWGRVDD-OAHLLOKOSA-N 1 1 323.397 -1.301 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421401542 926688887 /nfs/dbraw/zinc/68/88/87/926688887.db2.gz BXCRPKBEOPIHSO-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001421401542 926688895 /nfs/dbraw/zinc/68/88/95/926688895.db2.gz BXCRPKBEOPIHSO-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421401542 926688902 /nfs/dbraw/zinc/68/89/02/926688902.db2.gz BXCRPKBEOPIHSO-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405935 926690194 /nfs/dbraw/zinc/69/01/94/926690194.db2.gz HKXDQRHCPALQDG-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405935 926690200 /nfs/dbraw/zinc/69/02/00/926690200.db2.gz HKXDQRHCPALQDG-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO Cn1cncc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421415119 926693158 /nfs/dbraw/zinc/69/31/58/926693158.db2.gz SOLOKALRDPEBFJ-SWLSCSKDSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cncc1CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421415119 926693164 /nfs/dbraw/zinc/69/31/64/926693164.db2.gz SOLOKALRDPEBFJ-SWLSCSKDSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cncc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421415116 926693333 /nfs/dbraw/zinc/69/33/33/926693333.db2.gz SOLOKALRDPEBFJ-IUODEOHRSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cncc1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421415116 926693340 /nfs/dbraw/zinc/69/33/40/926693340.db2.gz SOLOKALRDPEBFJ-IUODEOHRSA-N 1 1 321.381 -1.596 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001421413798 926693673 /nfs/dbraw/zinc/69/36/73/926693673.db2.gz AAWOODWTFXBPKV-RYUDHWBXSA-N 1 1 300.355 -1.399 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001421420143 926694883 /nfs/dbraw/zinc/69/48/83/926694883.db2.gz UEBIZPAGOKJFDB-LBPRGKRZSA-N 1 1 308.386 -1.428 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC(=O)N2CCCC2)C1 ZINC001421416942 926695987 /nfs/dbraw/zinc/69/59/87/926695987.db2.gz IFZXUTKANHZEJU-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001421428467 926697842 /nfs/dbraw/zinc/69/78/42/926697842.db2.gz UDJUISXRSUPMNB-GHMZBOCLSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001421428467 926697850 /nfs/dbraw/zinc/69/78/50/926697850.db2.gz UDJUISXRSUPMNB-GHMZBOCLSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001421428486 926698625 /nfs/dbraw/zinc/69/86/25/926698625.db2.gz UDJUISXRSUPMNB-WDEREUQCSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001421428486 926698631 /nfs/dbraw/zinc/69/86/31/926698631.db2.gz UDJUISXRSUPMNB-WDEREUQCSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nnc(C)[nH]1 ZINC001421432262 926701031 /nfs/dbraw/zinc/70/10/31/926701031.db2.gz YZJNRFPQQDWLBP-LLVKDONJSA-N 1 1 324.385 -1.044 20 0 DAADMO CN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)CC1=O ZINC001421438345 926702308 /nfs/dbraw/zinc/70/23/08/926702308.db2.gz FCEHRUXNYBZZEP-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)cc1=O ZINC001421439048 926702639 /nfs/dbraw/zinc/70/26/39/926702639.db2.gz DAOZLOMPWSGTRH-NSHDSACASA-N 1 1 322.365 -1.407 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001421443424 926705271 /nfs/dbraw/zinc/70/52/71/926705271.db2.gz VFQVFJRJTKHCHS-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001421443433 926705626 /nfs/dbraw/zinc/70/56/26/926705626.db2.gz VFQVFJRJTKHCHS-ONGXEEELSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421486450 926714849 /nfs/dbraw/zinc/71/48/49/926714849.db2.gz TXSVIAIFBGHDDA-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001421481127 926714887 /nfs/dbraw/zinc/71/48/87/926714887.db2.gz HXBDOGJJOTYYNT-NSHDSACASA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001421492562 926716394 /nfs/dbraw/zinc/71/63/94/926716394.db2.gz ROCPULMQVCBMNH-NEPJUHHUSA-N 1 1 310.398 -1.620 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001421491300 926716415 /nfs/dbraw/zinc/71/64/15/926716415.db2.gz MZZZWTMOAUZPTB-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001421491304 926716592 /nfs/dbraw/zinc/71/65/92/926716592.db2.gz MZZZWTMOAUZPTB-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CC[C@@H](CNC(=O)[C@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001421490107 926716714 /nfs/dbraw/zinc/71/67/14/926716714.db2.gz NODGYRBXALLLCV-NEPJUHHUSA-N 1 1 300.403 -1.076 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(Cc2ncnn2C)C1 ZINC001421492088 926717262 /nfs/dbraw/zinc/71/72/62/926717262.db2.gz OXMSXNMMPSWWOC-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001421491292 926717471 /nfs/dbraw/zinc/71/74/71/926717471.db2.gz MZZZWTMOAUZPTB-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CCn1ncc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421500349 926720092 /nfs/dbraw/zinc/72/00/92/926720092.db2.gz QBTSHGWGOQEUOS-GFCCVEGCSA-N 1 1 322.413 -1.087 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)CN(CC2CCOCC2)C1 ZINC001421498527 926720302 /nfs/dbraw/zinc/72/03/02/926720302.db2.gz TUQBGCOIFCHOBE-UHFFFAOYSA-N 1 1 309.370 -1.063 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001421502207 926720454 /nfs/dbraw/zinc/72/04/54/926720454.db2.gz DGDSLNALZLRVDH-SNVBAGLBSA-N 1 1 305.400 -1.359 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1cn(C)nn1 ZINC001421508298 926723542 /nfs/dbraw/zinc/72/35/42/926723542.db2.gz WIRDTGBDDQHKOX-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccncn3)C[C@H]2C1 ZINC001421570054 926726821 /nfs/dbraw/zinc/72/68/21/926726821.db2.gz GLGKELUSOVEEMC-AOOOYVTPSA-N 1 1 318.337 -1.325 20 0 DAADMO COCC(=O)N[C@@]1(CO)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001421587390 926727016 /nfs/dbraw/zinc/72/70/16/926727016.db2.gz BXKJOYVSIPKEFH-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO COC(=O)[C@@](C)(O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001421589705 926727159 /nfs/dbraw/zinc/72/71/59/926727159.db2.gz MSUBUFAMBXTGIK-NSHDSACASA-N 1 1 309.388 -2.184 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001421572266 926727451 /nfs/dbraw/zinc/72/74/51/926727451.db2.gz NNLDZPVSVXXJEF-TXEJJXNPSA-N 1 1 320.411 -1.570 20 0 DAADMO COCCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](O)COC)C1 ZINC001421589987 926727628 /nfs/dbraw/zinc/72/76/28/926727628.db2.gz HPVPXDKFZCZLIQ-GXTWGEPZSA-N 1 1 304.387 -1.027 20 0 DAADMO COC(=O)[C@](C)(O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001421589702 926727766 /nfs/dbraw/zinc/72/77/66/926727766.db2.gz MSUBUFAMBXTGIK-LLVKDONJSA-N 1 1 309.388 -2.184 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001421575474 926727858 /nfs/dbraw/zinc/72/78/58/926727858.db2.gz SPEAZKCMUYVFAF-TXEJJXNPSA-N 1 1 306.370 -1.196 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]2C1 ZINC001421575721 926727995 /nfs/dbraw/zinc/72/79/95/926727995.db2.gz YDEOSVMCXQMPIQ-PHIMTYICSA-N 1 1 304.416 -1.208 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CCOC1 ZINC001421579799 926728090 /nfs/dbraw/zinc/72/80/90/926728090.db2.gz SHCHSKRPUMOMHN-JRPNMDOOSA-N 1 1 324.381 -1.002 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001421566860 926728312 /nfs/dbraw/zinc/72/83/12/926728312.db2.gz NISDRMKJAJHXQH-ZSBIGDGJSA-N 1 1 319.427 -1.113 20 0 DAADMO O=C(CN1CCOCC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001421595640 926730061 /nfs/dbraw/zinc/73/00/61/926730061.db2.gz QXXDDYWLJNPWHM-AWEZNQCLSA-N 1 1 301.387 -1.746 20 0 DAADMO O=C(CCn1ccnn1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001421597163 926730128 /nfs/dbraw/zinc/73/01/28/926730128.db2.gz XDAZMPMBMDVYKG-AWEZNQCLSA-N 1 1 311.386 -1.006 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421599771 926730159 /nfs/dbraw/zinc/73/01/59/926730159.db2.gz BNFOAJWEJPKOLN-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001421604980 926731024 /nfs/dbraw/zinc/73/10/24/926731024.db2.gz APQCENIVLPAAKH-LBPRGKRZSA-N 1 1 322.431 -1.607 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421603060 926731334 /nfs/dbraw/zinc/73/13/34/926731334.db2.gz URNRXSNADXGITN-AWEZNQCLSA-N 1 1 316.402 -1.369 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421626046 926732702 /nfs/dbraw/zinc/73/27/02/926732702.db2.gz WEIVMOJTSYHJJN-FZMZJTMJSA-N 1 1 301.387 -1.177 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001421618233 926732922 /nfs/dbraw/zinc/73/29/22/926732922.db2.gz NWSVDPKMWGRNJS-JHJVBQTASA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O)NC(N)=O ZINC001421607490 926733978 /nfs/dbraw/zinc/73/39/78/926733978.db2.gz BCNDAPZWKXKHHT-VWYCJHECSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O)NC(N)=O ZINC001421607490 926733987 /nfs/dbraw/zinc/73/39/87/926733987.db2.gz BCNDAPZWKXKHHT-VWYCJHECSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421626050 926734567 /nfs/dbraw/zinc/73/45/67/926734567.db2.gz WEIVMOJTSYHJJN-RISCZKNCSA-N 1 1 301.387 -1.177 20 0 DAADMO CCN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001421632756 926735895 /nfs/dbraw/zinc/73/58/95/926735895.db2.gz BMORPFBANKXFHL-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001421638043 926737649 /nfs/dbraw/zinc/73/76/49/926737649.db2.gz RXDRHVNVSKCQRO-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CC[NH2+][C@@H](C)c1nnnn1C ZINC001421640587 926739330 /nfs/dbraw/zinc/73/93/30/926739330.db2.gz KKFSMPBRQZZOCY-VHSXEESVSA-N 1 1 300.363 -1.284 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)n1 ZINC001421681818 926742283 /nfs/dbraw/zinc/74/22/83/926742283.db2.gz FUXXKIDASDUSGX-LLVKDONJSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)n1 ZINC001421681818 926742293 /nfs/dbraw/zinc/74/22/93/926742293.db2.gz FUXXKIDASDUSGX-LLVKDONJSA-N 1 1 322.369 -1.396 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421701437 926745730 /nfs/dbraw/zinc/74/57/30/926745730.db2.gz OSEITBTVTGQONV-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001421702354 926746754 /nfs/dbraw/zinc/74/67/54/926746754.db2.gz AJDGEZJISCSTSP-WDEREUQCSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001421702349 926747764 /nfs/dbraw/zinc/74/77/64/926747764.db2.gz AJDGEZJISCSTSP-MNOVXSKESA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001421714802 926748302 /nfs/dbraw/zinc/74/83/02/926748302.db2.gz MSQONQOGTFIOPH-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1nnn(C)n1 ZINC001421738236 926749390 /nfs/dbraw/zinc/74/93/90/926749390.db2.gz XJINKTMOCVXDFV-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001421778766 926752320 /nfs/dbraw/zinc/75/23/20/926752320.db2.gz QNODNBGIUIAQJI-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001421778766 926752325 /nfs/dbraw/zinc/75/23/25/926752325.db2.gz QNODNBGIUIAQJI-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@H+](CCCF)CCO2)c1=O ZINC001421802648 926757110 /nfs/dbraw/zinc/75/71/10/926757110.db2.gz SQQFFZHZDSOBGZ-LLVKDONJSA-N 1 1 315.349 -1.242 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CCCF)CCO2)c1=O ZINC001421802648 926757127 /nfs/dbraw/zinc/75/71/27/926757127.db2.gz SQQFFZHZDSOBGZ-LLVKDONJSA-N 1 1 315.349 -1.242 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421813273 926763343 /nfs/dbraw/zinc/76/33/43/926763343.db2.gz CJUMVXKIJKFEMU-CMPLNLGQSA-N 1 1 309.370 -1.109 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)CCCC(N)=O)CCO2)nn1 ZINC001421829213 926766509 /nfs/dbraw/zinc/76/65/09/926766509.db2.gz SPDQWMIYNUCEOU-GFCCVEGCSA-N 1 1 324.385 -1.212 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001421876304 926766787 /nfs/dbraw/zinc/76/67/87/926766787.db2.gz RVYNXNGGCASFHW-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)Cn1ncnn1 ZINC001421855882 926767003 /nfs/dbraw/zinc/76/70/03/926767003.db2.gz DEMGLGWFNSDBKH-LLVKDONJSA-N 1 1 311.390 -1.070 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001421890474 926769028 /nfs/dbraw/zinc/76/90/28/926769028.db2.gz RQWOFZIRNBXIFJ-MRVPVSSYSA-N 1 1 316.387 -1.809 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H](C)n1cncn1 ZINC001421884563 926769580 /nfs/dbraw/zinc/76/95/80/926769580.db2.gz GJXKJKOYEQZBRF-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001421893938 926770080 /nfs/dbraw/zinc/77/00/80/926770080.db2.gz HGVKVJLWXLQIOP-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CN1CCOCC1=O ZINC001421905238 926770336 /nfs/dbraw/zinc/77/03/36/926770336.db2.gz SMNIXZVKVYIRAM-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001421891282 926770506 /nfs/dbraw/zinc/77/05/06/926770506.db2.gz RFCQNGBNVQILKB-MRVPVSSYSA-N 1 1 304.376 -1.809 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)CS(=O)(=O)NC)CO2 ZINC001421926362 926771734 /nfs/dbraw/zinc/77/17/34/926771734.db2.gz ANVZKJNBJNJEOQ-JTQLQIEISA-N 1 1 305.400 -1.095 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001421927511 926772174 /nfs/dbraw/zinc/77/21/74/926772174.db2.gz GCCZRVZXZBKCIY-SNVBAGLBSA-N 1 1 324.385 -1.254 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001421918561 926772262 /nfs/dbraw/zinc/77/22/62/926772262.db2.gz SGSMEZIUBFSLQB-NEPJUHHUSA-N 1 1 310.354 -1.002 20 0 DAADMO NC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC001421915739 926772472 /nfs/dbraw/zinc/77/24/72/926772472.db2.gz KNYPQYGCXIMIOK-RYUDHWBXSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC001421915739 926772485 /nfs/dbraw/zinc/77/24/85/926772485.db2.gz KNYPQYGCXIMIOK-RYUDHWBXSA-N 1 1 302.371 -1.145 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001421927510 926772695 /nfs/dbraw/zinc/77/26/95/926772695.db2.gz GCCZRVZXZBKCIY-JTQLQIEISA-N 1 1 324.385 -1.254 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CS(=O)(=O)NC)CO2 ZINC001421926380 926772770 /nfs/dbraw/zinc/77/27/70/926772770.db2.gz ANVZKJNBJNJEOQ-SNVBAGLBSA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001421934576 926775522 /nfs/dbraw/zinc/77/55/22/926775522.db2.gz OBDIWYNXWKUMFI-BDAKNGLRSA-N 1 1 310.362 -1.830 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001421934648 926776176 /nfs/dbraw/zinc/77/61/76/926776176.db2.gz OBDIWYNXWKUMFI-RKDXNWHRSA-N 1 1 310.362 -1.830 20 0 DAADMO NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001421976906 926778190 /nfs/dbraw/zinc/77/81/90/926778190.db2.gz YNMIQEFLUJQMGB-CYBMUJFWSA-N 1 1 310.358 -1.834 20 0 DAADMO CC[C@H](C(=O)N1CCC[C@](CO)(NCC(N)=O)C1)[NH+](C)C ZINC001421982962 926778683 /nfs/dbraw/zinc/77/86/83/926778683.db2.gz FYHZHQLFWQEOPJ-RISCZKNCSA-N 1 1 300.403 -1.245 20 0 DAADMO NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001421970942 926779279 /nfs/dbraw/zinc/77/92/79/926779279.db2.gz GSJFSNGQPHYDLJ-UEKVPHQBSA-N 1 1 321.381 -1.058 20 0 DAADMO COC(=O)CNC(=O)CC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001422004659 926780385 /nfs/dbraw/zinc/78/03/85/926780385.db2.gz MEKPGAKYACOBBD-UHFFFAOYSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[C@@H]([NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1)C(N)=O ZINC001421998794 926780990 /nfs/dbraw/zinc/78/09/90/926780990.db2.gz CZQCKINFJYISGJ-SECBINFHSA-N 1 1 310.358 -1.063 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C(N)=O ZINC001422053297 926783078 /nfs/dbraw/zinc/78/30/78/926783078.db2.gz QFVXNJHWWDMWOY-PHIMTYICSA-N 1 1 315.333 -1.287 20 0 DAADMO CC(C)[C@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001422091913 926785947 /nfs/dbraw/zinc/78/59/47/926785947.db2.gz FNDMRXMIVZQSSS-QWRGUYRKSA-N 1 1 323.401 -1.033 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001422082451 926787173 /nfs/dbraw/zinc/78/71/73/926787173.db2.gz CWSTVNAJMHGGCL-LLVKDONJSA-N 1 1 311.390 -1.081 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC001422114383 926790534 /nfs/dbraw/zinc/79/05/34/926790534.db2.gz AJXZEBHFBVGGSP-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001422169549 926792213 /nfs/dbraw/zinc/79/22/13/926792213.db2.gz OFSPNOHAMSGVDG-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001422169549 926792224 /nfs/dbraw/zinc/79/22/24/926792224.db2.gz OFSPNOHAMSGVDG-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001422160759 926792684 /nfs/dbraw/zinc/79/26/84/926792684.db2.gz KZHRIBPNXPWFBE-SNVBAGLBSA-N 1 1 321.399 -1.191 20 0 DAADMO CCN1C[C@H](C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)OC1=O ZINC001422164684 926792940 /nfs/dbraw/zinc/79/29/40/926792940.db2.gz YNQCKHVXWOZGLN-VIFPVBQESA-N 1 1 319.383 -1.151 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001422161807 926793214 /nfs/dbraw/zinc/79/32/14/926793214.db2.gz SMYFALDNMKZVLS-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC001422144575 926793408 /nfs/dbraw/zinc/79/34/08/926793408.db2.gz TVLKJLWXHVHAJV-AWEZNQCLSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC001422144575 926793422 /nfs/dbraw/zinc/79/34/22/926793422.db2.gz TVLKJLWXHVHAJV-AWEZNQCLSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001422161478 926794074 /nfs/dbraw/zinc/79/40/74/926794074.db2.gz KSUQSMXBKVTQCY-LPWJVIDDSA-N 1 1 313.398 -1.369 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC001422161806 926794449 /nfs/dbraw/zinc/79/44/49/926794449.db2.gz SMYFALDNMKZVLS-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCCC1)C(=O)Cn1ncnn1 ZINC001422164507 926794680 /nfs/dbraw/zinc/79/46/80/926794680.db2.gz ZVMRQDXBULMTII-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCCC1)C(=O)Cn1ncnn1 ZINC001422164507 926794689 /nfs/dbraw/zinc/79/46/89/926794689.db2.gz ZVMRQDXBULMTII-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)COC)CC1 ZINC001422192132 926795683 /nfs/dbraw/zinc/79/56/83/926795683.db2.gz JXTQANFUOVAIID-LLVKDONJSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CO)(NC(=O)C(F)F)CC1 ZINC001422183193 926795731 /nfs/dbraw/zinc/79/57/31/926795731.db2.gz HKMHACGGZOUBCZ-SSDOTTSWSA-N 1 1 322.312 -1.222 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)COC)CC1 ZINC001422192135 926796153 /nfs/dbraw/zinc/79/61/53/926796153.db2.gz JXTQANFUOVAIID-NSHDSACASA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ccn(C)n2)CC1 ZINC001422193278 926796745 /nfs/dbraw/zinc/79/67/45/926796745.db2.gz FHRTWTJVQUXZAD-UHFFFAOYSA-N 1 1 323.397 -1.348 20 0 DAADMO Cn1nccc1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422190016 926796825 /nfs/dbraw/zinc/79/68/25/926796825.db2.gz BEENJIDEKZEVGN-LBPRGKRZSA-N 1 1 321.381 -1.135 20 0 DAADMO CNC(=O)CN1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001422193605 926798010 /nfs/dbraw/zinc/79/80/10/926798010.db2.gz MKERLAYMGGGRFX-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001422203717 926800400 /nfs/dbraw/zinc/80/04/00/926800400.db2.gz INWLYGUNHVTUCH-VIFPVBQESA-N 1 1 310.358 -1.456 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001422197707 926800996 /nfs/dbraw/zinc/80/09/96/926800996.db2.gz NWNHVFGJCDVAAR-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCOC1 ZINC001422196887 926801166 /nfs/dbraw/zinc/80/11/66/926801166.db2.gz ONPHNDYJXQWAMO-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422240264 926801862 /nfs/dbraw/zinc/80/18/62/926801862.db2.gz XHPMVABAALFPFI-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422240264 926801869 /nfs/dbraw/zinc/80/18/69/926801869.db2.gz XHPMVABAALFPFI-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](O)COC ZINC001422223700 926802664 /nfs/dbraw/zinc/80/26/64/926802664.db2.gz CYXMVXAWBFNCSX-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001422250837 926802846 /nfs/dbraw/zinc/80/28/46/926802846.db2.gz QIGLFPGKIJIXAR-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001422250837 926802858 /nfs/dbraw/zinc/80/28/58/926802858.db2.gz QIGLFPGKIJIXAR-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001422252970 926803466 /nfs/dbraw/zinc/80/34/66/926803466.db2.gz FVOLROSTWSCAEO-QWRGUYRKSA-N 1 1 322.406 -1.068 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001422270599 926807405 /nfs/dbraw/zinc/80/74/05/926807405.db2.gz YVIWSBWDHKRKPV-WDEREUQCSA-N 1 1 300.359 -1.286 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001422280370 926808774 /nfs/dbraw/zinc/80/87/74/926808774.db2.gz AQOOLWDBGQMJGP-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001422275337 926809788 /nfs/dbraw/zinc/80/97/88/926809788.db2.gz CTGWBUPBLCRESW-CYBMUJFWSA-N 1 1 323.397 -1.316 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001422281333 926813666 /nfs/dbraw/zinc/81/36/66/926813666.db2.gz RDHKTECSXAXYAZ-SNVBAGLBSA-N 1 1 310.358 -1.996 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001422284174 926813766 /nfs/dbraw/zinc/81/37/66/926813766.db2.gz RUSOKFFTACIQJD-NSHDSACASA-N 1 1 312.374 -1.657 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001422288363 926814860 /nfs/dbraw/zinc/81/48/60/926814860.db2.gz PLOCJEKZOFOAOD-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)nc1 ZINC001422289186 926815725 /nfs/dbraw/zinc/81/57/25/926815725.db2.gz KZULWHHVMFJEEZ-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(F)cn1 ZINC001422291450 926816437 /nfs/dbraw/zinc/81/64/37/926816437.db2.gz ASQNNGYXPVIUTO-VIFPVBQESA-N 1 1 309.305 -1.375 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001422289906 926816765 /nfs/dbraw/zinc/81/67/65/926816765.db2.gz ZSZOVQDXKAXSCJ-RKDXNWHRSA-N 1 1 300.319 -2.808 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001422293197 926817876 /nfs/dbraw/zinc/81/78/76/926817876.db2.gz DMRYXQVJPKDPFX-SNVBAGLBSA-N 1 1 313.358 -1.465 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422295285 926818046 /nfs/dbraw/zinc/81/80/46/926818046.db2.gz HQTPAXIWIMPHKZ-HTQZYQBOSA-N 1 1 304.376 -1.763 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C1=CCOCC1 ZINC001422295041 926818616 /nfs/dbraw/zinc/81/86/16/926818616.db2.gz GYXAUWGHCIQGAD-LBPRGKRZSA-N 1 1 322.369 -1.079 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001422302664 926818822 /nfs/dbraw/zinc/81/88/22/926818822.db2.gz VFUAEYGWBICYQO-MWLCHTKSSA-N 1 1 322.373 -1.077 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001422296001 926819008 /nfs/dbraw/zinc/81/90/08/926819008.db2.gz YQWZQLBFODEIKH-VHSXEESVSA-N 1 1 300.363 -1.237 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001422295289 926820064 /nfs/dbraw/zinc/82/00/64/926820064.db2.gz HQTPAXIWIMPHKZ-SFYZADRCSA-N 1 1 304.376 -1.763 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC1CC1 ZINC001422309567 926821744 /nfs/dbraw/zinc/82/17/44/926821744.db2.gz FREVVQNIKFLOIC-IJLUTSLNSA-N 1 1 321.381 -1.142 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001422302811 926821960 /nfs/dbraw/zinc/82/19/60/926821960.db2.gz UTYWYVOCCCAPLS-VHSXEESVSA-N 1 1 312.330 -2.027 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001422308489 926822001 /nfs/dbraw/zinc/82/20/01/926822001.db2.gz UEIMLTHNPOJLEQ-IUCAKERBSA-N 1 1 309.374 -1.329 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC1CC1 ZINC001422309580 926822602 /nfs/dbraw/zinc/82/26/02/926822602.db2.gz FREVVQNIKFLOIC-QJPTWQEYSA-N 1 1 321.381 -1.142 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c(C)nn1 ZINC001422310313 926824926 /nfs/dbraw/zinc/82/49/26/926824926.db2.gz JOWCPMXXKMNHQY-JTQLQIEISA-N 1 1 320.357 -1.503 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)nn1 ZINC001422313980 926826182 /nfs/dbraw/zinc/82/61/82/926826182.db2.gz NJHSJLIRPUKMDG-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001422314460 926826301 /nfs/dbraw/zinc/82/63/01/926826301.db2.gz NTDVFZJWNILKTK-MNOVXSKESA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccon1 ZINC001422324307 926827086 /nfs/dbraw/zinc/82/70/86/926827086.db2.gz BWOODQCAJYBPJS-SNVBAGLBSA-N 1 1 309.330 -1.602 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001422318585 926827791 /nfs/dbraw/zinc/82/77/91/926827791.db2.gz UYUXQOOKVYBJEG-QWRGUYRKSA-N 1 1 313.358 -1.813 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001422322322 926828329 /nfs/dbraw/zinc/82/83/29/926828329.db2.gz AUYJHEFUYPRLHO-NSHDSACASA-N 1 1 311.342 -1.343 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)c1cn[nH]c(=O)c1 ZINC001422323047 926829186 /nfs/dbraw/zinc/82/91/86/926829186.db2.gz HQPAFOGQFWHOLS-MRVPVSSYSA-N 1 1 310.339 -1.086 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001422318580 926829673 /nfs/dbraw/zinc/82/96/73/926829673.db2.gz UYUXQOOKVYBJEG-GHMZBOCLSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1(CCF)CC1 ZINC001422326585 926831177 /nfs/dbraw/zinc/83/11/77/926831177.db2.gz HSYCGCRPCLUGBP-VIFPVBQESA-N 1 1 300.338 -1.083 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001422330782 926831255 /nfs/dbraw/zinc/83/12/55/926831255.db2.gz YZLRSHKBODYXIG-KKUMJFAQSA-N 1 1 318.414 -1.222 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2nccn2C)nn1 ZINC001422325085 926831390 /nfs/dbraw/zinc/83/13/90/926831390.db2.gz FRCSZDARTFBSTA-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001422325658 926831535 /nfs/dbraw/zinc/83/15/35/926831535.db2.gz OLZOLCKJSTUMAK-AWEZNQCLSA-N 1 1 315.370 -1.955 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422325577 926832141 /nfs/dbraw/zinc/83/21/41/926832141.db2.gz MPQJFNDTBCCIQJ-SFYZADRCSA-N 1 1 316.387 -1.763 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001422328638 926832264 /nfs/dbraw/zinc/83/22/64/926832264.db2.gz MPJBPRRSFQLTNI-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001422328946 926832635 /nfs/dbraw/zinc/83/26/35/926832635.db2.gz XFBDHTOGDOYDDY-ZJUUUORDSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001422324857 926832843 /nfs/dbraw/zinc/83/28/43/926832843.db2.gz FCYUJOKSIRLZSE-MRVPVSSYSA-N 1 1 320.357 -1.698 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)o1 ZINC001422331236 926833706 /nfs/dbraw/zinc/83/37/06/926833706.db2.gz VNGIELSXCCOCDX-SCZZXKLOSA-N 1 1 323.357 -1.123 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cncn2C)n1 ZINC001422333879 926834162 /nfs/dbraw/zinc/83/41/62/926834162.db2.gz WARDTTIESVPHKR-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001422334371 926834467 /nfs/dbraw/zinc/83/44/67/926834467.db2.gz WUVWYAZBAHWEAQ-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)o1 ZINC001422331249 926834652 /nfs/dbraw/zinc/83/46/52/926834652.db2.gz VNGIELSXCCOCDX-WCBMZHEXSA-N 1 1 323.357 -1.123 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001422339339 926838535 /nfs/dbraw/zinc/83/85/35/926838535.db2.gz BBACTQVMXZQQQO-SECBINFHSA-N 1 1 323.357 -1.264 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnc[nH]c2=O)nn1 ZINC001422337239 926839044 /nfs/dbraw/zinc/83/90/44/926839044.db2.gz WCISLYCOGFTTKG-JTQLQIEISA-N 1 1 321.341 -1.326 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1=O ZINC001422337392 926839320 /nfs/dbraw/zinc/83/93/20/926839320.db2.gz WHAAXUOXKBYMDE-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccncc1 ZINC001422344248 926841976 /nfs/dbraw/zinc/84/19/76/926841976.db2.gz JHOWYXUAXUNCOW-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)[nH]1 ZINC001422351895 926844285 /nfs/dbraw/zinc/84/42/85/926844285.db2.gz QBYBPJOPNIPNQG-LLVKDONJSA-N 1 1 320.353 -1.308 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001422352603 926844507 /nfs/dbraw/zinc/84/45/07/926844507.db2.gz UGBWCSITFXWXOU-LBPRGKRZSA-N 1 1 321.385 -1.105 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)nn1 ZINC001422351840 926845196 /nfs/dbraw/zinc/84/51/96/926845196.db2.gz PYENCJQLHJWSIM-LBPRGKRZSA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001422352598 926845997 /nfs/dbraw/zinc/84/59/97/926845997.db2.gz UGBWCSITFXWXOU-GFCCVEGCSA-N 1 1 321.385 -1.105 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001422358245 926848464 /nfs/dbraw/zinc/84/84/64/926848464.db2.gz BLQQDJDKJUAPEB-MNOVXSKESA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001422358241 926849756 /nfs/dbraw/zinc/84/97/56/926849756.db2.gz BLQQDJDKJUAPEB-GHMZBOCLSA-N 1 1 323.401 -1.770 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)nn1 ZINC001422371785 926851637 /nfs/dbraw/zinc/85/16/37/926851637.db2.gz MKTFFLLERLAFGT-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nn1 ZINC001422368368 926852252 /nfs/dbraw/zinc/85/22/52/926852252.db2.gz HHYMXVXKCNMKQH-ZYHUDNBSSA-N 1 1 324.385 -1.467 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001422363483 926853478 /nfs/dbraw/zinc/85/34/78/926853478.db2.gz SRUYKMOJZGZXJA-WOPDTQHZSA-N 1 1 321.381 -1.055 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001422379123 926854479 /nfs/dbraw/zinc/85/44/79/926854479.db2.gz XSMJGFORXYMUNL-PWSUYJOCSA-N 1 1 324.385 -1.467 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373403 926854592 /nfs/dbraw/zinc/85/45/92/926854592.db2.gz BXSKDZMPQZKKDC-ZYHUDNBSSA-N 1 1 311.386 -1.257 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001422374869 926855277 /nfs/dbraw/zinc/85/52/77/926855277.db2.gz QUQFGUMTHZXWTA-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373399 926855511 /nfs/dbraw/zinc/85/55/11/926855511.db2.gz BXSKDZMPQZKKDC-PWSUYJOCSA-N 1 1 311.386 -1.257 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001422374844 926856816 /nfs/dbraw/zinc/85/68/16/926856816.db2.gz QSIGIMMIVPMUMK-GHMZBOCLSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001422374844 926856827 /nfs/dbraw/zinc/85/68/27/926856827.db2.gz QSIGIMMIVPMUMK-GHMZBOCLSA-N 1 1 324.385 -1.257 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001422378170 926857352 /nfs/dbraw/zinc/85/73/52/926857352.db2.gz VTELEWJBRLTBPQ-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422384802 926858270 /nfs/dbraw/zinc/85/82/70/926858270.db2.gz WBNOZKBCNOGTOB-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cnon1 ZINC001422382651 926858754 /nfs/dbraw/zinc/85/87/54/926858754.db2.gz ONBXEAGWGYIFLV-MRVPVSSYSA-N 1 1 313.293 -1.489 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC001422389922 926859311 /nfs/dbraw/zinc/85/93/11/926859311.db2.gz VUTFGVWOCPTHAZ-GFCCVEGCSA-N 1 1 321.385 -1.009 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001422391317 926860001 /nfs/dbraw/zinc/86/00/01/926860001.db2.gz XSENILHZECWGDN-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncn[nH]1 ZINC001422386202 926860299 /nfs/dbraw/zinc/86/02/99/926860299.db2.gz SSYVPVHXVWXTCE-MNOVXSKESA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1nc[nH]n1 ZINC001422386202 926860318 /nfs/dbraw/zinc/86/03/18/926860318.db2.gz SSYVPVHXVWXTCE-MNOVXSKESA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1ncn[nH]1 ZINC001422386209 926860744 /nfs/dbraw/zinc/86/07/44/926860744.db2.gz SSYVPVHXVWXTCE-QWRGUYRKSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1nc[nH]n1 ZINC001422386209 926860756 /nfs/dbraw/zinc/86/07/56/926860756.db2.gz SSYVPVHXVWXTCE-QWRGUYRKSA-N 1 1 322.369 -1.362 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422401741 926861950 /nfs/dbraw/zinc/86/19/50/926861950.db2.gz GQDLDKZIAAMYAE-JTQLQIEISA-N 1 1 322.373 -1.641 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001422399826 926863435 /nfs/dbraw/zinc/86/34/35/926863435.db2.gz BZRRTJZCZVWDNW-GHMZBOCLSA-N 1 1 323.353 -1.355 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001422399829 926863847 /nfs/dbraw/zinc/86/38/47/926863847.db2.gz BZRRTJZCZVWDNW-MNOVXSKESA-N 1 1 323.353 -1.355 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nocc1C ZINC001422405922 926865530 /nfs/dbraw/zinc/86/55/30/926865530.db2.gz GBUJUKBDMWQKCH-SECBINFHSA-N 1 1 320.371 -1.901 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001422403274 926866355 /nfs/dbraw/zinc/86/63/55/926866355.db2.gz FWEHPPKVTGNDQC-JTQLQIEISA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001422406124 926867434 /nfs/dbraw/zinc/86/74/34/926867434.db2.gz XDAAOCBUPQOCMG-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1 ZINC001422404970 926867953 /nfs/dbraw/zinc/86/79/53/926867953.db2.gz NKGQPRZOODDBEE-SNVBAGLBSA-N 1 1 315.374 -2.396 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nocc1C ZINC001422420297 926868990 /nfs/dbraw/zinc/86/89/90/926868990.db2.gz OMQCMIGBERQVCX-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001422436161 926872577 /nfs/dbraw/zinc/87/25/77/926872577.db2.gz NJPGJZNPGNLSJV-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO CNS(=O)(=O)CC[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001422445047 926873238 /nfs/dbraw/zinc/87/32/38/926873238.db2.gz KQJUJXXDHIFRQA-IUCAKERBSA-N 1 1 308.356 -1.570 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001422445043 926873261 /nfs/dbraw/zinc/87/32/61/926873261.db2.gz KQJUJXXDHIFRQA-DTORHVGOSA-N 1 1 308.356 -1.570 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001422445043 926873271 /nfs/dbraw/zinc/87/32/71/926873271.db2.gz KQJUJXXDHIFRQA-DTORHVGOSA-N 1 1 308.356 -1.570 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001422432343 926874155 /nfs/dbraw/zinc/87/41/55/926874155.db2.gz KFFUFYVUYSGMQG-SFYZADRCSA-N 1 1 305.360 -1.398 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)CCCS(C)(=O)=O ZINC001422490349 926875685 /nfs/dbraw/zinc/87/56/85/926875685.db2.gz GITOVCCOUVQIFB-ZJUUUORDSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)CCCS(C)(=O)=O ZINC001422490349 926875698 /nfs/dbraw/zinc/87/56/98/926875698.db2.gz GITOVCCOUVQIFB-ZJUUUORDSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487001 926876444 /nfs/dbraw/zinc/87/64/44/926876444.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487001 926876456 /nfs/dbraw/zinc/87/64/56/926876456.db2.gz MCYZQIXTJMEMJV-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO CN(CC(C)(C)C[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001422462074 926876558 /nfs/dbraw/zinc/87/65/58/926876558.db2.gz XNQMBINLEUMMCX-SECBINFHSA-N 1 1 324.389 -1.534 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001422515097 926879089 /nfs/dbraw/zinc/87/90/89/926879089.db2.gz HEXKOFLUOKFRSM-SECBINFHSA-N 1 1 323.419 -2.099 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001422515097 926879103 /nfs/dbraw/zinc/87/91/03/926879103.db2.gz HEXKOFLUOKFRSM-SECBINFHSA-N 1 1 323.419 -2.099 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)[N@H+](C)CC(=O)NC(N)=O ZINC001422493585 926879573 /nfs/dbraw/zinc/87/95/73/926879573.db2.gz DBOWMDMJRUHHSQ-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422493585 926879584 /nfs/dbraw/zinc/87/95/84/926879584.db2.gz DBOWMDMJRUHHSQ-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422497190 926879644 /nfs/dbraw/zinc/87/96/44/926879644.db2.gz ZAAOQEYIBYJUAD-BDAKNGLRSA-N 1 1 315.374 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001422499643 926880020 /nfs/dbraw/zinc/88/00/20/926880020.db2.gz CIDDYPOVKOMHIM-MWLCHTKSSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001422499643 926880028 /nfs/dbraw/zinc/88/00/28/926880028.db2.gz CIDDYPOVKOMHIM-MWLCHTKSSA-N 1 1 302.375 -1.105 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001422506919 926880335 /nfs/dbraw/zinc/88/03/35/926880335.db2.gz QJDZVVYYUGKRPL-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422497194 926882036 /nfs/dbraw/zinc/88/20/36/926882036.db2.gz ZAAOQEYIBYJUAD-DTWKUNHWSA-N 1 1 315.374 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001422549366 926883646 /nfs/dbraw/zinc/88/36/46/926883646.db2.gz VKCYNGLPYLIRLD-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001422549366 926883655 /nfs/dbraw/zinc/88/36/55/926883655.db2.gz VKCYNGLPYLIRLD-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CCn1cncn1 ZINC001422527973 926884445 /nfs/dbraw/zinc/88/44/45/926884445.db2.gz IZLNPUBDANYFQN-LLVKDONJSA-N 1 1 322.373 -1.690 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001422553671 926885680 /nfs/dbraw/zinc/88/56/80/926885680.db2.gz RKZATWBCYIRFAI-KOLCDFICSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@H+](C)CC(N)=O ZINC001422593173 926886149 /nfs/dbraw/zinc/88/61/49/926886149.db2.gz ZDQOLDQPXTYDNT-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CC(N)=O ZINC001422593173 926886157 /nfs/dbraw/zinc/88/61/57/926886157.db2.gz ZDQOLDQPXTYDNT-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@H+](C)CC(=O)N1CCC1 ZINC001422568703 926886880 /nfs/dbraw/zinc/88/68/80/926886880.db2.gz HJYKCQSSRVNKHT-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CC(=O)N1CCC1 ZINC001422568703 926886888 /nfs/dbraw/zinc/88/68/88/926886888.db2.gz HJYKCQSSRVNKHT-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001422568118 926888312 /nfs/dbraw/zinc/88/83/12/926888312.db2.gz GRJKDNYTHKVMJL-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001422568118 926888324 /nfs/dbraw/zinc/88/83/24/926888324.db2.gz GRJKDNYTHKVMJL-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CCN1CCNC1=O ZINC001422575320 926888450 /nfs/dbraw/zinc/88/84/50/926888450.db2.gz TXMWNAXHPNZZHY-NSHDSACASA-N 1 1 324.389 -1.475 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[N@H+](C)CC(N)=O ZINC001422596431 926888550 /nfs/dbraw/zinc/88/85/50/926888550.db2.gz BOTKDUCSUCGIRR-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[N@@H+](C)CC(N)=O ZINC001422596431 926888562 /nfs/dbraw/zinc/88/85/62/926888562.db2.gz BOTKDUCSUCGIRR-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)Cc1nnc[nH]1 ZINC001422581539 926888734 /nfs/dbraw/zinc/88/87/34/926888734.db2.gz HQJIPKBWRCNEGC-SNVBAGLBSA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@H+](C)CC(=O)N1CCC1 ZINC001422568706 926888810 /nfs/dbraw/zinc/88/88/10/926888810.db2.gz HJYKCQSSRVNKHT-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CC(=O)N1CCC1 ZINC001422568706 926888823 /nfs/dbraw/zinc/88/88/23/926888823.db2.gz HJYKCQSSRVNKHT-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001422604595 926892039 /nfs/dbraw/zinc/89/20/39/926892039.db2.gz XNELDYUXTFCEDY-KOLCDFICSA-N 1 1 315.399 -1.013 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)CC[N@H+]1C ZINC001422621628 926893699 /nfs/dbraw/zinc/89/36/99/926893699.db2.gz OMFNGFHQRSBIEE-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001422618799 926894863 /nfs/dbraw/zinc/89/48/63/926894863.db2.gz VTAGSBCMFUVRFC-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001422607733 926895045 /nfs/dbraw/zinc/89/50/45/926895045.db2.gz IGEQXISQJFJVBK-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)n1 ZINC001422612891 926895758 /nfs/dbraw/zinc/89/57/58/926895758.db2.gz PQNHASHULHQYAO-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)n1 ZINC001422612891 926895774 /nfs/dbraw/zinc/89/57/74/926895774.db2.gz PQNHASHULHQYAO-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001422632486 926896766 /nfs/dbraw/zinc/89/67/66/926896766.db2.gz GPUKMJYFWKQRRA-GFCCVEGCSA-N 1 1 321.381 -1.367 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001422631267 926899214 /nfs/dbraw/zinc/89/92/14/926899214.db2.gz ANHOHYVZKRBPTA-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CC(=O)NC2CC2)C1 ZINC001422646215 926900481 /nfs/dbraw/zinc/90/04/81/926900481.db2.gz GKYDLPYPCNNRAK-CYBMUJFWSA-N 1 1 324.425 -1.088 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001422644191 926900763 /nfs/dbraw/zinc/90/07/63/926900763.db2.gz URFNLRGUNNCFHH-UHFFFAOYSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cnn[nH]1 ZINC001422668325 926905018 /nfs/dbraw/zinc/90/50/18/926905018.db2.gz JRSPXCORIRBSBW-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001422694631 926905248 /nfs/dbraw/zinc/90/52/48/926905248.db2.gz AOUIVTWHDBHEJE-IONNQARKSA-N 1 1 307.358 -1.042 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422665281 926905331 /nfs/dbraw/zinc/90/53/31/926905331.db2.gz AHXKZGHQDLIOFP-LBPRGKRZSA-N 1 1 320.397 -1.155 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001422666665 926906070 /nfs/dbraw/zinc/90/60/70/926906070.db2.gz KABAHFVBEXSJJM-QMMMGPOBSA-N 1 1 322.325 -1.065 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001422725574 926908992 /nfs/dbraw/zinc/90/89/92/926908992.db2.gz IFBDLEBKRJCRQH-KWQFWETISA-N 1 1 306.370 -1.019 20 0 DAADMO C[C@H](NC(=O)CCn1cncn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422719781 926909285 /nfs/dbraw/zinc/90/92/85/926909285.db2.gz YBJDDHXHQHCQFL-CMPLNLGQSA-N 1 1 306.370 -1.007 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001422708828 926909453 /nfs/dbraw/zinc/90/94/53/926909453.db2.gz WCMMYZUYHNPUBF-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)Cc1nnc[nH]1 ZINC001422730721 926911099 /nfs/dbraw/zinc/91/10/99/926911099.db2.gz GVOWFYNCVMZENC-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001422739554 926912609 /nfs/dbraw/zinc/91/26/09/926912609.db2.gz OQVWBVOVRUVRLN-KOLCDFICSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)Cc2ncc[nH]2)C1 ZINC001422745004 926913593 /nfs/dbraw/zinc/91/35/93/926913593.db2.gz GZAKPPLSYXKZKF-DTWKUNHWSA-N 1 1 322.369 -1.028 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001422747334 926913873 /nfs/dbraw/zinc/91/38/73/926913873.db2.gz OLNAGRKFJFEISQ-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001422751351 926914055 /nfs/dbraw/zinc/91/40/55/926914055.db2.gz IMBHPSOZSACEGD-UWVGGRQHSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@@H](NC(=O)Cc1ncc[nH]1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001422744995 926914126 /nfs/dbraw/zinc/91/41/26/926914126.db2.gz GZAKPPLSYXKZKF-BDAKNGLRSA-N 1 1 322.369 -1.028 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001422779228 926916798 /nfs/dbraw/zinc/91/67/98/926916798.db2.gz DKWSLPYWWDDNRE-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001422804417 926916836 /nfs/dbraw/zinc/91/68/36/926916836.db2.gz BTTDJTALSJQEHV-MMWGEVLESA-N 1 1 310.354 -1.475 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001422800370 926916862 /nfs/dbraw/zinc/91/68/62/926916862.db2.gz GZIGGBXPJPAVKB-DOLQZWNJSA-N 1 1 323.353 -2.246 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001422808196 926917048 /nfs/dbraw/zinc/91/70/48/926917048.db2.gz LJULHJXADRTLKA-FIQHERPVSA-N 1 1 319.427 -1.400 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001422798889 926917919 /nfs/dbraw/zinc/91/79/19/926917919.db2.gz DKKLZVOKKLVYFW-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001422798889 926917933 /nfs/dbraw/zinc/91/79/33/926917933.db2.gz DKKLZVOKKLVYFW-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCOC)CC1(C)C ZINC001422794911 926917974 /nfs/dbraw/zinc/91/79/74/926917974.db2.gz YSDYVMVNUAHUIX-JTQLQIEISA-N 1 1 322.431 -1.487 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC001422781904 926918112 /nfs/dbraw/zinc/91/81/12/926918112.db2.gz WHOXBWFVSKNEOU-CQSZACIVSA-N 1 1 314.386 -1.270 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001422781904 926918120 /nfs/dbraw/zinc/91/81/20/926918120.db2.gz WHOXBWFVSKNEOU-CQSZACIVSA-N 1 1 314.386 -1.270 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422829024 926919009 /nfs/dbraw/zinc/91/90/09/926919009.db2.gz ORJSQQHOHPTPLI-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422829018 926919275 /nfs/dbraw/zinc/91/92/75/926919275.db2.gz ORJSQQHOHPTPLI-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001422811224 926919723 /nfs/dbraw/zinc/91/97/23/926919723.db2.gz WWULDRGKLPTHBO-LPWJVIDDSA-N 1 1 313.398 -1.186 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826120 926919923 /nfs/dbraw/zinc/91/99/23/926919923.db2.gz HXEQUKZZRCMHIV-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826120 926919931 /nfs/dbraw/zinc/91/99/31/926919931.db2.gz HXEQUKZZRCMHIV-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001422829609 926920013 /nfs/dbraw/zinc/92/00/13/926920013.db2.gz ZTDHEDYHOPNGTC-RVMXOQNASA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001422817613 926920190 /nfs/dbraw/zinc/92/01/90/926920190.db2.gz ZQNPOBPHGXCOQY-GXSJLCMTSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001422817613 926920204 /nfs/dbraw/zinc/92/02/04/926920204.db2.gz ZQNPOBPHGXCOQY-GXSJLCMTSA-N 1 1 302.375 -1.105 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001422826399 926920578 /nfs/dbraw/zinc/92/05/78/926920578.db2.gz MIJGEEQHZOAWLZ-XYYAHUGASA-N 1 1 323.397 -1.088 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830170 926920652 /nfs/dbraw/zinc/92/06/52/926920652.db2.gz PILLLKQOYHPHGR-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830170 926920659 /nfs/dbraw/zinc/92/06/59/926920659.db2.gz PILLLKQOYHPHGR-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826122 926920854 /nfs/dbraw/zinc/92/08/54/926920854.db2.gz HXEQUKZZRCMHIV-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826122 926920859 /nfs/dbraw/zinc/92/08/59/926920859.db2.gz HXEQUKZZRCMHIV-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)c(=O)n1C ZINC001422838789 926921616 /nfs/dbraw/zinc/92/16/16/926921616.db2.gz VUPWHPVHUDGVFF-XYJRDEOASA-N 1 1 323.397 -1.435 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847915 926922590 /nfs/dbraw/zinc/92/25/90/926922590.db2.gz NBOBWWMWKUXMBJ-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847915 926922584 /nfs/dbraw/zinc/92/25/84/926922584.db2.gz NBOBWWMWKUXMBJ-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)c1nnn(C)n1 ZINC001422862690 926924009 /nfs/dbraw/zinc/92/40/09/926924009.db2.gz BYMJZTXSZIYLRL-WDEREUQCSA-N 1 1 322.373 -1.482 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914382 926927361 /nfs/dbraw/zinc/92/73/61/926927361.db2.gz KLDWBUUAKMFKKN-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914382 926927368 /nfs/dbraw/zinc/92/73/68/926927368.db2.gz KLDWBUUAKMFKKN-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001422898598 926928102 /nfs/dbraw/zinc/92/81/02/926928102.db2.gz MEBRYJMZZBBYBB-OPRDCNLKSA-N 1 1 309.374 -1.294 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422876461 926928458 /nfs/dbraw/zinc/92/84/58/926928458.db2.gz DCDYRUGVJXVKSZ-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422876461 926928464 /nfs/dbraw/zinc/92/84/64/926928464.db2.gz DCDYRUGVJXVKSZ-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001422893124 926928866 /nfs/dbraw/zinc/92/88/66/926928866.db2.gz RCNMABZDNHOYMT-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001422893124 926928877 /nfs/dbraw/zinc/92/88/77/926928877.db2.gz RCNMABZDNHOYMT-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876207 926928923 /nfs/dbraw/zinc/92/89/23/926928923.db2.gz JLVOIOLRIQGSTO-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876207 926928929 /nfs/dbraw/zinc/92/89/29/926928929.db2.gz JLVOIOLRIQGSTO-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001422935063 926930553 /nfs/dbraw/zinc/93/05/53/926930553.db2.gz KTLLZJVJIAGZLZ-MRVPVSSYSA-N 1 1 323.357 -1.076 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001422921218 926930664 /nfs/dbraw/zinc/93/06/64/926930664.db2.gz WAWNUHHPDJUZTN-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001422927393 926930900 /nfs/dbraw/zinc/93/09/00/926930900.db2.gz QDRUXCBHIOLQJZ-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001422927393 926930906 /nfs/dbraw/zinc/93/09/06/926930906.db2.gz QDRUXCBHIOLQJZ-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932306 926931475 /nfs/dbraw/zinc/93/14/75/926931475.db2.gz ISLDANSKKNPKBY-HTQZYQBOSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932306 926931485 /nfs/dbraw/zinc/93/14/85/926931485.db2.gz ISLDANSKKNPKBY-HTQZYQBOSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955600 926932948 /nfs/dbraw/zinc/93/29/48/926932948.db2.gz UBCJHWDHIKKMQE-UWVGGRQHSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955600 926932959 /nfs/dbraw/zinc/93/29/59/926932959.db2.gz UBCJHWDHIKKMQE-UWVGGRQHSA-N 1 1 310.358 -1.097 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001423022439 926935727 /nfs/dbraw/zinc/93/57/27/926935727.db2.gz HXDMGKWLJDZJJZ-HZMBPMFUSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001423009927 926937740 /nfs/dbraw/zinc/93/77/40/926937740.db2.gz WOLGPYHVTGKUNR-WCBMZHEXSA-N 1 1 324.389 -1.359 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001423025500 926941028 /nfs/dbraw/zinc/94/10/28/926941028.db2.gz MEDMNPGOJCEWER-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001423074252 926943586 /nfs/dbraw/zinc/94/35/86/926943586.db2.gz ZDUKXQRIZCVMIJ-SECBINFHSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001423094388 926946675 /nfs/dbraw/zinc/94/66/75/926946675.db2.gz RABRJNOLPYTQGZ-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423120629 926948394 /nfs/dbraw/zinc/94/83/94/926948394.db2.gz VVEIMLCSZHGZKV-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423120629 926948397 /nfs/dbraw/zinc/94/83/97/926948397.db2.gz VVEIMLCSZHGZKV-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001423117498 926950011 /nfs/dbraw/zinc/95/00/11/926950011.db2.gz GUOFIJBRKZBQRK-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001423117498 926950019 /nfs/dbraw/zinc/95/00/19/926950019.db2.gz GUOFIJBRKZBQRK-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCOC2)c1=O ZINC001423106661 926950275 /nfs/dbraw/zinc/95/02/75/926950275.db2.gz HYHGYSHTPXECPH-RYUDHWBXSA-N 1 1 309.370 -1.191 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCN1[C@@H]1CCNC1=O ZINC001423130653 926952120 /nfs/dbraw/zinc/95/21/20/926952120.db2.gz IIEPDOFUOFLKDQ-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC(=O)NC(=O)NC ZINC001423137547 926952177 /nfs/dbraw/zinc/95/21/77/926952177.db2.gz KIQZAOIXAFXNMH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423170675 926956257 /nfs/dbraw/zinc/95/62/57/926956257.db2.gz HXPSNQQJDQMWBB-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1nccnc1N ZINC001423190674 926960176 /nfs/dbraw/zinc/96/01/76/926960176.db2.gz PMCLSIJPALTGDH-SECBINFHSA-N 1 1 305.342 -1.327 20 0 DAADMO Cn1ncc(CNC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001423191965 926961959 /nfs/dbraw/zinc/96/19/59/926961959.db2.gz IWIXQYYWXWBNMO-LBPRGKRZSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1ncc(CNC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001423191965 926961971 /nfs/dbraw/zinc/96/19/71/926961971.db2.gz IWIXQYYWXWBNMO-LBPRGKRZSA-N 1 1 308.386 -1.116 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001423191121 926962235 /nfs/dbraw/zinc/96/22/35/926962235.db2.gz PUPZYBMJGPAWPI-GXSJLCMTSA-N 1 1 310.358 -1.857 20 0 DAADMO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001423189640 926962366 /nfs/dbraw/zinc/96/23/66/926962366.db2.gz GDNCYYPCFODTFK-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423196176 926963676 /nfs/dbraw/zinc/96/36/76/926963676.db2.gz YQBOLGXEESRMOW-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001423196683 926964326 /nfs/dbraw/zinc/96/43/26/926964326.db2.gz ZWRQWDRFMQVBKK-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001423199505 926964420 /nfs/dbraw/zinc/96/44/20/926964420.db2.gz XJGHPHPFMQATLI-RYUDHWBXSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001423199505 926964428 /nfs/dbraw/zinc/96/44/28/926964428.db2.gz XJGHPHPFMQATLI-RYUDHWBXSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001423196433 926964930 /nfs/dbraw/zinc/96/49/30/926964930.db2.gz NTMSSXXPGOPVPR-STQMWFEESA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001423196433 926964936 /nfs/dbraw/zinc/96/49/36/926964936.db2.gz NTMSSXXPGOPVPR-STQMWFEESA-N 1 1 323.397 -1.318 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001423211500 926971998 /nfs/dbraw/zinc/97/19/98/926971998.db2.gz FPBJTXANSXWBOW-ZYHUDNBSSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001423211490 926972264 /nfs/dbraw/zinc/97/22/64/926972264.db2.gz FPBJTXANSXWBOW-JQWIXIFHSA-N 1 1 309.370 -1.487 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CCc2cnn(C)c2)n[nH]1 ZINC001423215267 926972563 /nfs/dbraw/zinc/97/25/63/926972563.db2.gz VAWXAAOLBCXYGB-LBPRGKRZSA-N 1 1 321.385 -1.301 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001423212328 926974333 /nfs/dbraw/zinc/97/43/33/926974333.db2.gz AXTJTPSEMSGPQB-QJPTWQEYSA-N 1 1 319.369 -1.128 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)cc1=O ZINC001423217583 926975896 /nfs/dbraw/zinc/97/58/96/926975896.db2.gz IJQMKVQQZJQUAT-QMMMGPOBSA-N 1 1 324.366 -1.488 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CO[C@@H]2CCOC2)n1 ZINC001423216208 926976484 /nfs/dbraw/zinc/97/64/84/926976484.db2.gz HNZYXDKJUWMRHJ-CHWSQXEVSA-N 1 1 312.370 -1.208 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCOC1)Nc1cnccn1 ZINC001423217807 926976839 /nfs/dbraw/zinc/97/68/39/926976839.db2.gz ZAENFHDYRRONOX-MNOVXSKESA-N 1 1 323.353 -1.482 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001423217751 926976881 /nfs/dbraw/zinc/97/68/81/926976881.db2.gz IQUZUIHUVFAJMR-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001423226447 926982807 /nfs/dbraw/zinc/98/28/07/926982807.db2.gz FFFQBZRNMQQSJT-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)n1cncn1 ZINC001423231906 926986552 /nfs/dbraw/zinc/98/65/52/926986552.db2.gz MVCINMHJCBGKIB-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001423235375 926989459 /nfs/dbraw/zinc/98/94/59/926989459.db2.gz XTIPAVRUPYMTNM-JTQLQIEISA-N 1 1 324.341 -1.855 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCC(=O)NC2)n1 ZINC001423236199 926990564 /nfs/dbraw/zinc/99/05/64/926990564.db2.gz NSDPZXXPGCYADM-AAEUAGOBSA-N 1 1 323.397 -1.097 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)ncn1 ZINC001423249963 926994479 /nfs/dbraw/zinc/99/44/79/926994479.db2.gz KGWKWOJLPWEEPA-CHWSQXEVSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001423244837 926995535 /nfs/dbraw/zinc/99/55/35/926995535.db2.gz YLZFMVLQTMJTDL-PWSUYJOCSA-N 1 1 309.370 -1.487 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001423254589 926999461 /nfs/dbraw/zinc/99/94/61/926999461.db2.gz FBMLJPFZXSZQRI-VHSXEESVSA-N 1 1 324.341 -2.267 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H](CO)NCC(=O)N1CCOCC1 ZINC001423258706 927000729 /nfs/dbraw/zinc/00/07/29/927000729.db2.gz MHERFIMXSYGEBG-LBPRGKRZSA-N 1 1 316.402 -2.136 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)cn1 ZINC001423258822 927001185 /nfs/dbraw/zinc/00/11/85/927001185.db2.gz QJEPOFRPTBVDLO-LLVKDONJSA-N 1 1 318.337 -1.251 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001423257693 927001265 /nfs/dbraw/zinc/00/12/65/927001265.db2.gz DEFIJRHZMFHTDH-UTUOFQBUSA-N 1 1 310.329 -1.091 20 0 DAADMO CCn1cc(C[NH2+]C2(CNC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001423260305 927001448 /nfs/dbraw/zinc/00/14/48/927001448.db2.gz PRCNYOUWTRSOCM-SNVBAGLBSA-N 1 1 307.358 -1.282 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)=NC1=O ZINC001423257499 927002142 /nfs/dbraw/zinc/00/21/42/927002142.db2.gz IBLRXQXIPFLMIT-IUCAKERBSA-N 1 1 311.342 -1.915 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2ncnn2C)C1 ZINC001423259925 927002322 /nfs/dbraw/zinc/00/23/22/927002322.db2.gz HVELQMVXKLCEQW-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001423261040 927003424 /nfs/dbraw/zinc/00/34/24/927003424.db2.gz JGXDJWJHWWPQMO-NWDGAFQWSA-N 1 1 313.402 -1.828 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccc(C(N)=O)[nH]2)n1 ZINC001423261365 927003722 /nfs/dbraw/zinc/00/37/22/927003722.db2.gz KQKASCWVMKQEEO-JTQLQIEISA-N 1 1 320.353 -1.272 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001423263350 927006936 /nfs/dbraw/zinc/00/69/36/927006936.db2.gz FFDFFRDQGVMTEX-HZMBPMFUSA-N 1 1 309.370 -1.345 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001423298026 927018757 /nfs/dbraw/zinc/01/87/57/927018757.db2.gz DUVYDIVZBWISPI-CHWSQXEVSA-N 1 1 323.397 -1.236 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001423298026 927018766 /nfs/dbraw/zinc/01/87/66/927018766.db2.gz DUVYDIVZBWISPI-CHWSQXEVSA-N 1 1 323.397 -1.236 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423296859 927018945 /nfs/dbraw/zinc/01/89/45/927018945.db2.gz ALJXNXIURIUNIZ-VIFPVBQESA-N 1 1 319.387 -2.184 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001423298034 927018975 /nfs/dbraw/zinc/01/89/75/927018975.db2.gz DUVYDIVZBWISPI-STQMWFEESA-N 1 1 323.397 -1.236 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001423298034 927018988 /nfs/dbraw/zinc/01/89/88/927018988.db2.gz DUVYDIVZBWISPI-STQMWFEESA-N 1 1 323.397 -1.236 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423301991 927021989 /nfs/dbraw/zinc/02/19/89/927021989.db2.gz UVBWPCZMBHIWBA-VXGBXAGGSA-N 1 1 310.398 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)N[C@@H](C)c1nnnn1C ZINC001423302030 927022839 /nfs/dbraw/zinc/02/28/39/927022839.db2.gz KNFOSVJQQYITPZ-ONGXEEELSA-N 1 1 322.373 -1.457 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001423299030 927023463 /nfs/dbraw/zinc/02/34/63/927023463.db2.gz HAYYVOPITZYHBH-NWDGAFQWSA-N 1 1 300.403 -1.469 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423299030 927023472 /nfs/dbraw/zinc/02/34/72/927023472.db2.gz HAYYVOPITZYHBH-NWDGAFQWSA-N 1 1 300.403 -1.469 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]nc2ccccc21 ZINC001423301356 927023694 /nfs/dbraw/zinc/02/36/94/927023694.db2.gz MGAHTLDFBZYKSP-VIFPVBQESA-N 1 1 305.338 -1.343 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001423306303 927024788 /nfs/dbraw/zinc/02/47/88/927024788.db2.gz PCYXTWLXPNWLPV-SNVBAGLBSA-N 1 1 315.374 -2.396 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CCN2CCCC2=O)n1 ZINC001423308799 927024903 /nfs/dbraw/zinc/02/49/03/927024903.db2.gz ZHUHGKRLXFEURY-CYBMUJFWSA-N 1 1 323.397 -1.001 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423305679 927025394 /nfs/dbraw/zinc/02/53/94/927025394.db2.gz RVZZAISDZRJPCR-QMMMGPOBSA-N 1 1 320.375 -3.069 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2[nH]nnc2C)C1 ZINC001423317838 927027643 /nfs/dbraw/zinc/02/76/43/927027643.db2.gz AMBBBJCJGIRTSH-CBAPKCEASA-N 1 1 323.357 -1.239 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001423324603 927028384 /nfs/dbraw/zinc/02/83/84/927028384.db2.gz UNJDWIHKDUOTLZ-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2[nH]nnc2C)C1 ZINC001423317836 927028412 /nfs/dbraw/zinc/02/84/12/927028412.db2.gz AMBBBJCJGIRTSH-APPZFPTMSA-N 1 1 323.357 -1.239 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2[nH]nnc2C)C1 ZINC001423317843 927028478 /nfs/dbraw/zinc/02/84/78/927028478.db2.gz AMBBBJCJGIRTSH-VXNVDRBHSA-N 1 1 323.357 -1.239 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001423319133 927030057 /nfs/dbraw/zinc/03/00/57/927030057.db2.gz RBEMDNMNQGUDLT-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO C[NH+]1CCC(OCC(=O)NC[C@H](CO)NCC(N)=O)CC1 ZINC001423312265 927030305 /nfs/dbraw/zinc/03/03/05/927030305.db2.gz ZUJSATUYPBUWBU-SNVBAGLBSA-N 1 1 302.375 -2.351 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)c1 ZINC001423317238 927030374 /nfs/dbraw/zinc/03/03/74/927030374.db2.gz PMKHDOBLVFDJHC-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001423362633 927030854 /nfs/dbraw/zinc/03/08/54/927030854.db2.gz NMAQXDNTDLGWQL-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001423345458 927031734 /nfs/dbraw/zinc/03/17/34/927031734.db2.gz GEYAHJOOUMADEY-QMTHXVAHSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001423345458 927031746 /nfs/dbraw/zinc/03/17/46/927031746.db2.gz GEYAHJOOUMADEY-QMTHXVAHSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001423345445 927032265 /nfs/dbraw/zinc/03/22/65/927032265.db2.gz GEYAHJOOUMADEY-IINYFYTJSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001423345445 927032276 /nfs/dbraw/zinc/03/22/76/927032276.db2.gz GEYAHJOOUMADEY-IINYFYTJSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001423364828 927032913 /nfs/dbraw/zinc/03/29/13/927032913.db2.gz QQMGJBIQWZJBNP-HNNXBMFYSA-N 1 1 308.382 -1.078 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001423371544 927035212 /nfs/dbraw/zinc/03/52/12/927035212.db2.gz ITPPMHUEIOXUHH-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001423371544 927035226 /nfs/dbraw/zinc/03/52/26/927035226.db2.gz ITPPMHUEIOXUHH-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001423371269 927035337 /nfs/dbraw/zinc/03/53/37/927035337.db2.gz PUBLWIYNRWVKLV-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001423375289 927035874 /nfs/dbraw/zinc/03/58/74/927035874.db2.gz STXUVDMUKUTWOC-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO CC[N@H+]1CC[C@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001423370730 927036224 /nfs/dbraw/zinc/03/62/24/927036224.db2.gz XTOJMZHPGZKCNM-LBPRGKRZSA-N 1 1 304.416 -1.016 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001423365406 927036427 /nfs/dbraw/zinc/03/64/27/927036427.db2.gz RIFHKBPXOLTZSX-CYBMUJFWSA-N 1 1 319.427 -1.158 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001423365412 927036592 /nfs/dbraw/zinc/03/65/92/927036592.db2.gz RIFHKBPXOLTZSX-ZDUSSCGKSA-N 1 1 319.427 -1.158 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001423371261 927037010 /nfs/dbraw/zinc/03/70/10/927037010.db2.gz PUBLWIYNRWVKLV-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001423402656 927039019 /nfs/dbraw/zinc/03/90/19/927039019.db2.gz JUDOLCRIAASAGG-SNVBAGLBSA-N 1 1 322.431 -1.752 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001423419195 927040231 /nfs/dbraw/zinc/04/02/31/927040231.db2.gz SZEJAGVPQGWWNM-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001423418616 927041860 /nfs/dbraw/zinc/04/18/60/927041860.db2.gz HHXRSBDTJPYTJM-SECBINFHSA-N 1 1 308.404 -2.094 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccnc1 ZINC001423420964 927042803 /nfs/dbraw/zinc/04/28/03/927042803.db2.gz NSVHXRVDMOXXNW-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)n2cncn2)[nH]1 ZINC001423428988 927044305 /nfs/dbraw/zinc/04/43/05/927044305.db2.gz LQMUCFBVIURZOU-KOLCDFICSA-N 1 1 322.373 -1.125 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O)nn1 ZINC001423427006 927044812 /nfs/dbraw/zinc/04/48/12/927044812.db2.gz GWXCTRAJVARRHG-GFCCVEGCSA-N 1 1 312.374 -1.657 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cscn1 ZINC001423428234 927044838 /nfs/dbraw/zinc/04/48/38/927044838.db2.gz ALFDDZVCOQBIFG-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001423427632 927045320 /nfs/dbraw/zinc/04/53/20/927045320.db2.gz JKQLPZIRTGROFR-SECBINFHSA-N 1 1 314.346 -1.920 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CS(C)(=O)=O ZINC001423429670 927046528 /nfs/dbraw/zinc/04/65/28/927046528.db2.gz RETKREDZOADZMY-JTQLQIEISA-N 1 1 319.387 -2.231 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ncn(C)n2)n1 ZINC001423436368 927047238 /nfs/dbraw/zinc/04/72/38/927047238.db2.gz GMNLNPQQDREOAP-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1ccn(C)n1 ZINC001423439567 927052055 /nfs/dbraw/zinc/05/20/55/927052055.db2.gz FZDVUQSVYIPAFU-GFCCVEGCSA-N 1 1 321.385 -1.300 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn(C)nn1 ZINC001423443321 927054579 /nfs/dbraw/zinc/05/45/79/927054579.db2.gz OFXZOEARJNASLY-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001423449033 927054810 /nfs/dbraw/zinc/05/48/10/927054810.db2.gz SUNYUZKGDXMSHL-ZDUSSCGKSA-N 1 1 321.381 -1.136 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cnoc1 ZINC001423453103 927059322 /nfs/dbraw/zinc/05/93/22/927059322.db2.gz LFPWESUJRCKEDB-LLVKDONJSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@H]1CCNC1=O ZINC001423458311 927061504 /nfs/dbraw/zinc/06/15/04/927061504.db2.gz HXTWRDBIRGUEMX-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]1(F)CCOC1 ZINC001423459853 927061566 /nfs/dbraw/zinc/06/15/66/927061566.db2.gz VZNPLUSDVCNRRS-SKDRFNHKSA-N 1 1 316.337 -1.752 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423457665 927061615 /nfs/dbraw/zinc/06/16/15/927061615.db2.gz SGWCRWVHGRAMCF-SFYZADRCSA-N 1 1 312.334 -3.200 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@]1(F)CCOC1 ZINC001423459812 927061675 /nfs/dbraw/zinc/06/16/75/927061675.db2.gz VZNPLUSDVCNRRS-BXKDBHETSA-N 1 1 316.337 -1.752 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C(F)F)[nH]n1 ZINC001423461001 927061739 /nfs/dbraw/zinc/06/17/39/927061739.db2.gz AGZWVFJZOGPBJY-ZCFIWIBFSA-N 1 1 305.285 -1.145 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@@H]1CCNC1=O ZINC001423458306 927062257 /nfs/dbraw/zinc/06/22/57/927062257.db2.gz HXTWRDBIRGUEMX-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)C[C@H]1CCNC1=O ZINC001423463135 927063014 /nfs/dbraw/zinc/06/30/14/927063014.db2.gz MKYIAYKTZWQRIJ-VXGBXAGGSA-N 1 1 321.381 -1.088 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(=O)n2C)[nH]1 ZINC001423463455 927063374 /nfs/dbraw/zinc/06/33/74/927063374.db2.gz KAYXFJQGIWYJRI-SECBINFHSA-N 1 1 323.357 -1.225 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423470739 927066054 /nfs/dbraw/zinc/06/60/54/927066054.db2.gz NSJGCVQKWBRORW-AXFHLTTASA-N 1 1 310.358 -2.155 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001423469580 927067498 /nfs/dbraw/zinc/06/74/98/927067498.db2.gz MHTKZGJXZKBXEM-SECBINFHSA-N 1 1 310.362 -1.780 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccnn1)c1nnnn1C ZINC001423475563 927070707 /nfs/dbraw/zinc/07/07/07/927070707.db2.gz FYIKLIXLHLSKEV-NXEZZACHSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccnn1)c1nnnn1C ZINC001423475568 927071267 /nfs/dbraw/zinc/07/12/67/927071267.db2.gz FYIKLIXLHLSKEV-ZJUUUORDSA-N 1 1 320.357 -1.216 20 0 DAADMO Cc1conc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423475459 927071360 /nfs/dbraw/zinc/07/13/60/927071360.db2.gz KEAJAZCMGDIRSH-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CCC(=O)N1 ZINC001423483375 927073654 /nfs/dbraw/zinc/07/36/54/927073654.db2.gz VGKYOVQPVNQCGH-BDAKNGLRSA-N 1 1 313.383 -1.274 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496807 927076033 /nfs/dbraw/zinc/07/60/33/927076033.db2.gz QGQTYGMXTKGMED-WDEREUQCSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496807 927076047 /nfs/dbraw/zinc/07/60/47/927076047.db2.gz QGQTYGMXTKGMED-WDEREUQCSA-N 1 1 312.374 -1.707 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001423497202 927076351 /nfs/dbraw/zinc/07/63/51/927076351.db2.gz AHBWWTDHAHUQPV-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001423497202 927076365 /nfs/dbraw/zinc/07/63/65/927076365.db2.gz AHBWWTDHAHUQPV-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001423497178 927076506 /nfs/dbraw/zinc/07/65/06/927076506.db2.gz SKDWXAGLCHKFMX-UWVGGRQHSA-N 1 1 302.375 -1.023 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001423500493 927077171 /nfs/dbraw/zinc/07/71/71/927077171.db2.gz AJWPLYTXMHKXEI-FZMZJTMJSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001423500493 927077188 /nfs/dbraw/zinc/07/71/88/927077188.db2.gz AJWPLYTXMHKXEI-FZMZJTMJSA-N 1 1 301.387 -1.226 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001423499096 927077643 /nfs/dbraw/zinc/07/76/43/927077643.db2.gz BAUCPKAPQDQSCQ-GFCCVEGCSA-N 1 1 316.402 -1.648 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001423499096 927077654 /nfs/dbraw/zinc/07/76/54/927077654.db2.gz BAUCPKAPQDQSCQ-GFCCVEGCSA-N 1 1 316.402 -1.648 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001423497177 927077681 /nfs/dbraw/zinc/07/76/81/927077681.db2.gz SKDWXAGLCHKFMX-NXEZZACHSA-N 1 1 302.375 -1.023 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001423496368 927078237 /nfs/dbraw/zinc/07/82/37/927078237.db2.gz OPYYXHGZPYFZHA-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001423496368 927078242 /nfs/dbraw/zinc/07/82/42/927078242.db2.gz OPYYXHGZPYFZHA-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001423500994 927079551 /nfs/dbraw/zinc/07/95/51/927079551.db2.gz GCUDBXUEOBYWBQ-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001423500994 927079567 /nfs/dbraw/zinc/07/95/67/927079567.db2.gz GCUDBXUEOBYWBQ-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ncoc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001423499048 927079639 /nfs/dbraw/zinc/07/96/39/927079639.db2.gz YYEUWQWIWDGHMC-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1ncoc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001423499048 927079651 /nfs/dbraw/zinc/07/96/51/927079651.db2.gz YYEUWQWIWDGHMC-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1snnc1C ZINC001423496309 927079682 /nfs/dbraw/zinc/07/96/82/927079682.db2.gz NOTDXHHGRKVUQU-SECBINFHSA-N 1 1 315.399 -1.043 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1snnc1C ZINC001423496309 927079700 /nfs/dbraw/zinc/07/97/00/927079700.db2.gz NOTDXHHGRKVUQU-SECBINFHSA-N 1 1 315.399 -1.043 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cccn1 ZINC001423497959 927079728 /nfs/dbraw/zinc/07/97/28/927079728.db2.gz VFRKLJAIDZZCLU-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509244 927081373 /nfs/dbraw/zinc/08/13/73/927081373.db2.gz AAQYMAXKHJYGGC-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509244 927081389 /nfs/dbraw/zinc/08/13/89/927081389.db2.gz AAQYMAXKHJYGGC-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001423510178 927081835 /nfs/dbraw/zinc/08/18/35/927081835.db2.gz DUSZEQSNAXMUTI-WDEREUQCSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001423510178 927081850 /nfs/dbraw/zinc/08/18/50/927081850.db2.gz DUSZEQSNAXMUTI-WDEREUQCSA-N 1 1 316.402 -1.602 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001423507653 927082223 /nfs/dbraw/zinc/08/22/23/927082223.db2.gz HORAMFIAJIWFNC-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001423509105 927082316 /nfs/dbraw/zinc/08/23/16/927082316.db2.gz CFIFMEXJSCJMCF-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001423509105 927082332 /nfs/dbraw/zinc/08/23/32/927082332.db2.gz CFIFMEXJSCJMCF-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508584 927082557 /nfs/dbraw/zinc/08/25/57/927082557.db2.gz PXJSMNMVUQZGBE-BDAKNGLRSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508584 927082573 /nfs/dbraw/zinc/08/25/73/927082573.db2.gz PXJSMNMVUQZGBE-BDAKNGLRSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508586 927082603 /nfs/dbraw/zinc/08/26/03/927082603.db2.gz PXJSMNMVUQZGBE-IUCAKERBSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508586 927082619 /nfs/dbraw/zinc/08/26/19/927082619.db2.gz PXJSMNMVUQZGBE-IUCAKERBSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509226 927082726 /nfs/dbraw/zinc/08/27/26/927082726.db2.gz AAQYMAXKHJYGGC-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509226 927082739 /nfs/dbraw/zinc/08/27/39/927082739.db2.gz AAQYMAXKHJYGGC-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001423504339 927082800 /nfs/dbraw/zinc/08/28/00/927082800.db2.gz SFYCFHUXINKOPA-ZJUUUORDSA-N 1 1 312.374 -1.556 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001423508064 927083405 /nfs/dbraw/zinc/08/34/05/927083405.db2.gz VMLJYRBYYCMNEW-SNVBAGLBSA-N 1 1 311.342 -1.707 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001423508064 927083420 /nfs/dbraw/zinc/08/34/20/927083420.db2.gz VMLJYRBYYCMNEW-SNVBAGLBSA-N 1 1 311.342 -1.707 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001423508889 927083533 /nfs/dbraw/zinc/08/35/33/927083533.db2.gz XCPSHSRHKKRTBA-VIFPVBQESA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001423508889 927083546 /nfs/dbraw/zinc/08/35/46/927083546.db2.gz XCPSHSRHKKRTBA-VIFPVBQESA-N 1 1 311.342 -2.370 20 0 DAADMO CC1(NC(=O)CN2CCNC(=O)C2)CC[NH+](CC(N)=O)CC1 ZINC001423506410 927083636 /nfs/dbraw/zinc/08/36/36/927083636.db2.gz DOIHSPWWXRQPRS-UHFFFAOYSA-N 1 1 311.386 -2.126 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423509155 927083975 /nfs/dbraw/zinc/08/39/75/927083975.db2.gz ZIVPGYIVWFFMTC-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423509155 927083982 /nfs/dbraw/zinc/08/39/82/927083982.db2.gz ZIVPGYIVWFFMTC-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CO[C@H](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423506792 927084511 /nfs/dbraw/zinc/08/45/11/927084511.db2.gz VCCZYEHNHWURKZ-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CO[C@H](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423506792 927084525 /nfs/dbraw/zinc/08/45/25/927084525.db2.gz VCCZYEHNHWURKZ-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001423505355 927084642 /nfs/dbraw/zinc/08/46/42/927084642.db2.gz PDOGLLYTENOYGM-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001423505355 927084659 /nfs/dbraw/zinc/08/46/59/927084659.db2.gz PDOGLLYTENOYGM-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423515019 927085243 /nfs/dbraw/zinc/08/52/43/927085243.db2.gz OQHOJYXDFPRZAD-NXEZZACHSA-N 1 1 313.362 -2.312 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001423519490 927085311 /nfs/dbraw/zinc/08/53/11/927085311.db2.gz BRQSLGQYAHRVOB-QWRGUYRKSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001423519490 927085331 /nfs/dbraw/zinc/08/53/31/927085331.db2.gz BRQSLGQYAHRVOB-QWRGUYRKSA-N 1 1 302.375 -1.863 20 0 DAADMO COc1cccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001423528116 927085753 /nfs/dbraw/zinc/08/57/53/927085753.db2.gz CEWKBJGXYWWJHE-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001423528116 927085772 /nfs/dbraw/zinc/08/57/72/927085772.db2.gz CEWKBJGXYWWJHE-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001423524518 927086205 /nfs/dbraw/zinc/08/62/05/927086205.db2.gz IUSNKORWDBZWIC-NSHDSACASA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001423524518 927086218 /nfs/dbraw/zinc/08/62/18/927086218.db2.gz IUSNKORWDBZWIC-NSHDSACASA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cc1ncc[nH]1 ZINC001423527409 927087288 /nfs/dbraw/zinc/08/72/88/927087288.db2.gz CXUAWROHZZZZNQ-LBPRGKRZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cc1ncc[nH]1 ZINC001423527409 927087299 /nfs/dbraw/zinc/08/72/99/927087299.db2.gz CXUAWROHZZZZNQ-LBPRGKRZSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN1CC[C@H]([N@H+](C)C[C@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516218 927087381 /nfs/dbraw/zinc/08/73/81/927087381.db2.gz MLHRHDDRRUATOZ-JQWIXIFHSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516218 927087389 /nfs/dbraw/zinc/08/73/89/927087389.db2.gz MLHRHDDRRUATOZ-JQWIXIFHSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516229 927087449 /nfs/dbraw/zinc/08/74/49/927087449.db2.gz MLHRHDDRRUATOZ-ZYHUDNBSSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516229 927087463 /nfs/dbraw/zinc/08/74/63/927087463.db2.gz MLHRHDDRRUATOZ-ZYHUDNBSSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cccn1 ZINC001423513290 927087869 /nfs/dbraw/zinc/08/78/69/927087869.db2.gz PUAQJMKPZVIUAO-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001423521012 927087978 /nfs/dbraw/zinc/08/79/78/927087978.db2.gz UOPATEXDJQBVDY-UONOGXRCSA-N 1 1 317.430 -1.159 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)ncc1C(N)=O ZINC001423519221 927088045 /nfs/dbraw/zinc/08/80/45/927088045.db2.gz AQIZOLNFQIAFGQ-LLVKDONJSA-N 1 1 324.381 -1.154 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001423515785 927088209 /nfs/dbraw/zinc/08/82/09/927088209.db2.gz YSPUMFWUHFSIGX-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001423545070 927090097 /nfs/dbraw/zinc/09/00/97/927090097.db2.gz VBLIFCZSGMEOPW-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423537306 927090179 /nfs/dbraw/zinc/09/01/79/927090179.db2.gz KIYPQUHSXHYUKD-VHSXEESVSA-N 1 1 311.404 -2.333 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ncccc1F ZINC001423539294 927090464 /nfs/dbraw/zinc/09/04/64/927090464.db2.gz GCPFBNJVKBAKIA-JTQLQIEISA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ncccc1F ZINC001423539294 927090478 /nfs/dbraw/zinc/09/04/78/927090478.db2.gz GCPFBNJVKBAKIA-JTQLQIEISA-N 1 1 312.345 -1.000 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001423548845 927091255 /nfs/dbraw/zinc/09/12/55/927091255.db2.gz XZXUXONJKMYHEF-JQWIXIFHSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001423536308 927091771 /nfs/dbraw/zinc/09/17/71/927091771.db2.gz WOJXREAHVXKZNY-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001423536308 927091787 /nfs/dbraw/zinc/09/17/87/927091787.db2.gz WOJXREAHVXKZNY-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001423541210 927091831 /nfs/dbraw/zinc/09/18/31/927091831.db2.gz HLJZEOONVOCNKQ-GHMZBOCLSA-N 1 1 316.358 -1.250 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001423529401 927092322 /nfs/dbraw/zinc/09/23/22/927092322.db2.gz HORDUIIQBPTZSB-PWSUYJOCSA-N 1 1 324.385 -1.590 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423537301 927092713 /nfs/dbraw/zinc/09/27/13/927092713.db2.gz KIYPQUHSXHYUKD-UWVGGRQHSA-N 1 1 311.404 -2.333 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423538272 927093931 /nfs/dbraw/zinc/09/39/31/927093931.db2.gz DYEBYZWOPVZTJG-IUCAKERBSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423538272 927093953 /nfs/dbraw/zinc/09/39/53/927093953.db2.gz DYEBYZWOPVZTJG-IUCAKERBSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545787 927094475 /nfs/dbraw/zinc/09/44/75/927094475.db2.gz IYAKEGUHAOCXIA-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545787 927094489 /nfs/dbraw/zinc/09/44/89/927094489.db2.gz IYAKEGUHAOCXIA-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001423557695 927095118 /nfs/dbraw/zinc/09/51/18/927095118.db2.gz BCZVNYOFOADCFG-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](C)C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001423565643 927095404 /nfs/dbraw/zinc/09/54/04/927095404.db2.gz SBRGIQPFTUEGMS-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO COC[C@H](C)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423565643 927095420 /nfs/dbraw/zinc/09/54/20/927095420.db2.gz SBRGIQPFTUEGMS-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001423572637 927095650 /nfs/dbraw/zinc/09/56/50/927095650.db2.gz COWPKGBKFYSMMX-JOYOIKCWSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001423572637 927095665 /nfs/dbraw/zinc/09/56/65/927095665.db2.gz COWPKGBKFYSMMX-JOYOIKCWSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423561432 927095893 /nfs/dbraw/zinc/09/58/93/927095893.db2.gz IFZVRKSDYGTZRI-HERUPUMHSA-N 1 1 310.354 -1.202 20 0 DAADMO C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423561432 927095905 /nfs/dbraw/zinc/09/59/05/927095905.db2.gz IFZVRKSDYGTZRI-HERUPUMHSA-N 1 1 310.354 -1.202 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001423561132 927097124 /nfs/dbraw/zinc/09/71/24/927097124.db2.gz TXVXFISROMFALX-KWBADKCTSA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423599227 927097370 /nfs/dbraw/zinc/09/73/70/927097370.db2.gz RUMYIYGWGXHSBU-CQSZACIVSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423599227 927097382 /nfs/dbraw/zinc/09/73/82/927097382.db2.gz RUMYIYGWGXHSBU-CQSZACIVSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584931 927097500 /nfs/dbraw/zinc/09/75/00/927097500.db2.gz NQZLRKXMLZWQOG-XPTSAGLGSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584931 927097515 /nfs/dbraw/zinc/09/75/15/927097515.db2.gz NQZLRKXMLZWQOG-XPTSAGLGSA-N 1 1 323.353 -1.597 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423571261 927097712 /nfs/dbraw/zinc/09/77/12/927097712.db2.gz GTPYMKQJMGOUME-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423571261 927097726 /nfs/dbraw/zinc/09/77/26/927097726.db2.gz GTPYMKQJMGOUME-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584929 927098027 /nfs/dbraw/zinc/09/80/27/927098027.db2.gz NQZLRKXMLZWQOG-OTYXRUKQSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584929 927098044 /nfs/dbraw/zinc/09/80/44/927098044.db2.gz NQZLRKXMLZWQOG-OTYXRUKQSA-N 1 1 323.353 -1.597 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001423558930 927098644 /nfs/dbraw/zinc/09/86/44/927098644.db2.gz DCSZSHGFHFKLEX-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001423583992 927098841 /nfs/dbraw/zinc/09/88/41/927098841.db2.gz WCHXXAQDBKSUIB-CQSZACIVSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001423583992 927098853 /nfs/dbraw/zinc/09/88/53/927098853.db2.gz WCHXXAQDBKSUIB-CQSZACIVSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001423572782 927098919 /nfs/dbraw/zinc/09/89/19/927098919.db2.gz WMKYEBZSBHAOMD-CYBMUJFWSA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001423572782 927098935 /nfs/dbraw/zinc/09/89/35/927098935.db2.gz WMKYEBZSBHAOMD-CYBMUJFWSA-N 1 1 302.350 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001423605238 927099222 /nfs/dbraw/zinc/09/92/22/927099222.db2.gz XVULBBCUWPBAPJ-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001423618320 927099277 /nfs/dbraw/zinc/09/92/77/927099277.db2.gz CHQQGLYJZWJIQE-TVQRCGJNSA-N 1 1 324.389 -1.405 20 0 DAADMO COCC[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@@H]1CCNC1=O ZINC001423637738 927100661 /nfs/dbraw/zinc/10/06/61/927100661.db2.gz MZRAXWXCRZYQKJ-LLVKDONJSA-N 1 1 323.353 -1.663 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@@H]1CCNC1=O ZINC001423637738 927100669 /nfs/dbraw/zinc/10/06/69/927100669.db2.gz MZRAXWXCRZYQKJ-LLVKDONJSA-N 1 1 323.353 -1.663 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640302 927100947 /nfs/dbraw/zinc/10/09/47/927100947.db2.gz FKZYJCBOULTWTI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C[C@@H](C)O ZINC001423635272 927101416 /nfs/dbraw/zinc/10/14/16/927101416.db2.gz ZTSSGFQXMFOQEO-LLVKDONJSA-N 1 1 312.370 -1.161 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001423640298 927101886 /nfs/dbraw/zinc/10/18/86/927101886.db2.gz FKZYJCBOULTWTI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOC ZINC001423625052 927102319 /nfs/dbraw/zinc/10/23/19/927102319.db2.gz GKYMZJCLFQJXQJ-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO CNC(=O)CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOC ZINC001423625052 927102326 /nfs/dbraw/zinc/10/23/26/927102326.db2.gz GKYMZJCLFQJXQJ-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@H]1CCNC1=O ZINC001423644384 927103430 /nfs/dbraw/zinc/10/34/30/927103430.db2.gz WMBPBDLDKSNIOT-NSHDSACASA-N 1 1 310.358 -1.769 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@H]1CCNC1=O ZINC001423644384 927103443 /nfs/dbraw/zinc/10/34/43/927103443.db2.gz WMBPBDLDKSNIOT-NSHDSACASA-N 1 1 310.358 -1.769 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001423663153 927104317 /nfs/dbraw/zinc/10/43/17/927104317.db2.gz LMEXFJDMHBABEH-UHFFFAOYSA-N 1 1 315.399 -1.061 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(C)CCC[N@H+](CC(N)=O)C2)c1=O ZINC001423696876 927105660 /nfs/dbraw/zinc/10/56/60/927105660.db2.gz QRTWJPMTUDXPMP-CQSZACIVSA-N 1 1 324.385 -1.715 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(C)CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001423696876 927105673 /nfs/dbraw/zinc/10/56/73/927105673.db2.gz QRTWJPMTUDXPMP-CQSZACIVSA-N 1 1 324.385 -1.715 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCC1(F)F ZINC001423732205 927107136 /nfs/dbraw/zinc/10/71/36/927107136.db2.gz YDJFPTLHHRUTRP-SECBINFHSA-N 1 1 308.329 -1.019 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743053 927107914 /nfs/dbraw/zinc/10/79/14/927107914.db2.gz QJDQLDCGZGOYAA-GXTWGEPZSA-N 1 1 313.354 -1.223 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCC1(F)F ZINC001423732208 927108024 /nfs/dbraw/zinc/10/80/24/927108024.db2.gz YDJFPTLHHRUTRP-VIFPVBQESA-N 1 1 308.329 -1.019 20 0 DAADMO Cn1nncc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423737117 927108180 /nfs/dbraw/zinc/10/81/80/927108180.db2.gz FFDWFEZNESAQBY-ZFWWWQNUSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423737430 927108779 /nfs/dbraw/zinc/10/87/79/927108779.db2.gz FYCPVFPILPIMGW-IAQYHMDHSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743738 927110454 /nfs/dbraw/zinc/11/04/54/927110454.db2.gz DKUVZZCQQJCLRA-BXKDBHETSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743738 927110462 /nfs/dbraw/zinc/11/04/62/927110462.db2.gz DKUVZZCQQJCLRA-BXKDBHETSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001423752606 927110550 /nfs/dbraw/zinc/11/05/50/927110550.db2.gz CSFAWYXWSZDEBC-IINYFYTJSA-N 1 1 324.385 -1.567 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001423743601 927110798 /nfs/dbraw/zinc/11/07/98/927110798.db2.gz BEGGMHQRMBHVDE-RNCFNFMXSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001423743601 927110804 /nfs/dbraw/zinc/11/08/04/927110804.db2.gz BEGGMHQRMBHVDE-RNCFNFMXSA-N 1 1 300.359 -1.207 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423743252 927110833 /nfs/dbraw/zinc/11/08/33/927110833.db2.gz PVBNUCLGENVUJH-SMDDNHRTSA-N 1 1 312.370 -2.046 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cnn1 ZINC001423752636 927110939 /nfs/dbraw/zinc/11/09/39/927110939.db2.gz CZHNLJKADOEVGC-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cnn1 ZINC001423752636 927110946 /nfs/dbraw/zinc/11/09/46/927110946.db2.gz CZHNLJKADOEVGC-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001423749943 927111283 /nfs/dbraw/zinc/11/12/83/927111283.db2.gz VQZCEGDIIRXJSX-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423743248 927111417 /nfs/dbraw/zinc/11/14/17/927111417.db2.gz PVBNUCLGENVUJH-RISCZKNCSA-N 1 1 312.370 -2.046 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cnn1 ZINC001423752744 927111522 /nfs/dbraw/zinc/11/15/22/927111522.db2.gz CZHNLJKADOEVGC-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cnn1 ZINC001423752744 927111527 /nfs/dbraw/zinc/11/15/27/927111527.db2.gz CZHNLJKADOEVGC-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]n1 ZINC001423750228 927112283 /nfs/dbraw/zinc/11/22/83/927112283.db2.gz KYRZRVZHERLQRY-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]n1 ZINC001423750228 927112289 /nfs/dbraw/zinc/11/22/89/927112289.db2.gz KYRZRVZHERLQRY-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001423746431 927112380 /nfs/dbraw/zinc/11/23/80/927112380.db2.gz OIQRYKQHLOFAGA-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423752999 927112640 /nfs/dbraw/zinc/11/26/40/927112640.db2.gz CHBPYAYQOVRKRB-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423752999 927112649 /nfs/dbraw/zinc/11/26/49/927112649.db2.gz CHBPYAYQOVRKRB-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001423758285 927113759 /nfs/dbraw/zinc/11/37/59/927113759.db2.gz HMFBRMUYFVCJNT-VEPLAOFISA-N 1 1 300.750 -1.021 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001423757738 927113792 /nfs/dbraw/zinc/11/37/92/927113792.db2.gz KZSXVKBVBXANAH-OTYXRUKQSA-N 1 1 323.353 -1.517 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001423756960 927113971 /nfs/dbraw/zinc/11/39/71/927113971.db2.gz JMDJSEKALGFFOP-ZDUSSCGKSA-N 1 1 320.357 -1.727 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001423757765 927114198 /nfs/dbraw/zinc/11/41/98/927114198.db2.gz XJTWUSJTFGSTAJ-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001423757765 927114209 /nfs/dbraw/zinc/11/42/09/927114209.db2.gz XJTWUSJTFGSTAJ-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001423753204 927115039 /nfs/dbraw/zinc/11/50/39/927115039.db2.gz CVTFEIVHIJDFBX-IINYFYTJSA-N 1 1 301.387 -1.165 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423759917 927115245 /nfs/dbraw/zinc/11/52/45/927115245.db2.gz IVOYGEZPZHRAIQ-IINYFYTJSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423759917 927115250 /nfs/dbraw/zinc/11/52/50/927115250.db2.gz IVOYGEZPZHRAIQ-IINYFYTJSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423759983 927115339 /nfs/dbraw/zinc/11/53/39/927115339.db2.gz IYZWGCMUUFDMTK-JMSVASOKSA-N 1 1 312.414 -1.374 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001423754020 927115444 /nfs/dbraw/zinc/11/54/44/927115444.db2.gz VASKLQRPPQAJLJ-CABZTGNLSA-N 1 1 311.346 -2.510 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423757592 927115650 /nfs/dbraw/zinc/11/56/50/927115650.db2.gz HNUSWZSJGSXBSH-WFASDCNBSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423760193 927116369 /nfs/dbraw/zinc/11/63/69/927116369.db2.gz PYICZADTSSIJKZ-YGRLFVJLSA-N 1 1 324.385 -1.542 20 0 DAADMO CC1(C(=O)NC[C@@]2(O)CC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001423758278 927116431 /nfs/dbraw/zinc/11/64/31/927116431.db2.gz HLAQZVBTTSJMAP-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001423758278 927116440 /nfs/dbraw/zinc/11/64/40/927116440.db2.gz HLAQZVBTTSJMAP-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnn2ccncc12 ZINC001423754981 927116678 /nfs/dbraw/zinc/11/66/78/927116678.db2.gz GWBDFOQEERWONE-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423760254 927117692 /nfs/dbraw/zinc/11/76/92/927117692.db2.gz JPDHAQLFDZKLRY-YMTOWFKASA-N 1 1 324.385 -1.657 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)S(C)(=O)=O ZINC001423762527 927117992 /nfs/dbraw/zinc/11/79/92/927117992.db2.gz JRIYHWVLHBFYLQ-ZDUSSCGKSA-N 1 1 319.427 -1.159 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001423764077 927118087 /nfs/dbraw/zinc/11/80/87/927118087.db2.gz MIRNYGLMJZOODN-OAHLLOKOSA-N 1 1 324.381 -1.490 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)c1=O ZINC001423769444 927118122 /nfs/dbraw/zinc/11/81/22/927118122.db2.gz BHQTWYFYYXJUKF-CYBMUJFWSA-N 1 1 315.349 -1.506 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)c1=O ZINC001423769444 927118135 /nfs/dbraw/zinc/11/81/35/927118135.db2.gz BHQTWYFYYXJUKF-CYBMUJFWSA-N 1 1 315.349 -1.506 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001423767091 927118203 /nfs/dbraw/zinc/11/82/03/927118203.db2.gz XKVMRIPMBHYZGR-ZDUSSCGKSA-N 1 1 318.349 -2.239 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001423767091 927118214 /nfs/dbraw/zinc/11/82/14/927118214.db2.gz XKVMRIPMBHYZGR-ZDUSSCGKSA-N 1 1 318.349 -2.239 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771000 927118343 /nfs/dbraw/zinc/11/83/43/927118343.db2.gz YXOJTWYZOUECAJ-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771000 927118354 /nfs/dbraw/zinc/11/83/54/927118354.db2.gz YXOJTWYZOUECAJ-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423763528 927118441 /nfs/dbraw/zinc/11/84/41/927118441.db2.gz VUEBKQKLAVUMPO-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423763528 927118452 /nfs/dbraw/zinc/11/84/52/927118452.db2.gz VUEBKQKLAVUMPO-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001423764688 927118555 /nfs/dbraw/zinc/11/85/55/927118555.db2.gz YWDUQLLWIAJPHD-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001423764688 927118563 /nfs/dbraw/zinc/11/85/63/927118563.db2.gz YWDUQLLWIAJPHD-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771006 927118599 /nfs/dbraw/zinc/11/85/99/927118599.db2.gz YXOJTWYZOUECAJ-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771006 927118609 /nfs/dbraw/zinc/11/86/09/927118609.db2.gz YXOJTWYZOUECAJ-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001423763558 927119021 /nfs/dbraw/zinc/11/90/21/927119021.db2.gz NHXIPNGWPNWJLT-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001423763562 927119217 /nfs/dbraw/zinc/11/92/17/927119217.db2.gz NHXIPNGWPNWJLT-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423764446 927119242 /nfs/dbraw/zinc/11/92/42/927119242.db2.gz YHJJHLFRGSYQAI-HZMBPMFUSA-N 1 1 310.354 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771011 927119262 /nfs/dbraw/zinc/11/92/62/927119262.db2.gz YXOJTWYZOUECAJ-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771011 927119271 /nfs/dbraw/zinc/11/92/71/927119271.db2.gz YXOJTWYZOUECAJ-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001423767087 927119614 /nfs/dbraw/zinc/11/96/14/927119614.db2.gz XKVMRIPMBHYZGR-CYBMUJFWSA-N 1 1 318.349 -2.239 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001423767087 927119620 /nfs/dbraw/zinc/11/96/20/927119620.db2.gz XKVMRIPMBHYZGR-CYBMUJFWSA-N 1 1 318.349 -2.239 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001423764686 927120039 /nfs/dbraw/zinc/12/00/39/927120039.db2.gz YWDUQLLWIAJPHD-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001423764686 927120051 /nfs/dbraw/zinc/12/00/51/927120051.db2.gz YWDUQLLWIAJPHD-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001423763271 927120262 /nfs/dbraw/zinc/12/02/62/927120262.db2.gz YIDKGHWPASGMLC-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001423763271 927120274 /nfs/dbraw/zinc/12/02/74/927120274.db2.gz YIDKGHWPASGMLC-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001423760841 927120333 /nfs/dbraw/zinc/12/03/33/927120333.db2.gz HDTZNMBDXOBTPN-GWCFXTLKSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423764458 927120393 /nfs/dbraw/zinc/12/03/93/927120393.db2.gz YHJJHLFRGSYQAI-QMTHXVAHSA-N 1 1 310.354 -1.177 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001423775661 927121423 /nfs/dbraw/zinc/12/14/23/927121423.db2.gz LUYMZKWWOAERSG-MEDZGJRSSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001423775661 927121435 /nfs/dbraw/zinc/12/14/35/927121435.db2.gz LUYMZKWWOAERSG-MEDZGJRSSA-N 1 1 311.382 -1.160 20 0 DAADMO Cc1nnccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423773090 927121637 /nfs/dbraw/zinc/12/16/37/927121637.db2.gz IVJAEJLMOCQELV-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nnccc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423773090 927121652 /nfs/dbraw/zinc/12/16/52/927121652.db2.gz IVJAEJLMOCQELV-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001423777084 927121992 /nfs/dbraw/zinc/12/19/92/927121992.db2.gz QJGVFRXNKOIQMK-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423773076 927122701 /nfs/dbraw/zinc/12/27/01/927122701.db2.gz IVJAEJLMOCQELV-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423773076 927122711 /nfs/dbraw/zinc/12/27/11/927122711.db2.gz IVJAEJLMOCQELV-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccnc2c1CC(=O)N2 ZINC001423780295 927122799 /nfs/dbraw/zinc/12/27/99/927122799.db2.gz ZWGICTCGROYKGA-OAHLLOKOSA-N 1 1 320.349 -1.265 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001423771454 927123321 /nfs/dbraw/zinc/12/33/21/927123321.db2.gz GWNPJIPCRUIDRM-AWEZNQCLSA-N 1 1 309.370 -1.115 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001423771454 927123325 /nfs/dbraw/zinc/12/33/25/927123325.db2.gz GWNPJIPCRUIDRM-AWEZNQCLSA-N 1 1 309.370 -1.115 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001423773662 927123343 /nfs/dbraw/zinc/12/33/43/927123343.db2.gz YJABOEHKTRAAHI-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001423773662 927123348 /nfs/dbraw/zinc/12/33/48/927123348.db2.gz YJABOEHKTRAAHI-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccnc2c1CC(=O)N2 ZINC001423780291 927123367 /nfs/dbraw/zinc/12/33/67/927123367.db2.gz ZWGICTCGROYKGA-HNNXBMFYSA-N 1 1 320.349 -1.265 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001423790662 927125516 /nfs/dbraw/zinc/12/55/16/927125516.db2.gz MOBXGRWVPIYGLU-ZUZCIYMTSA-N 1 1 322.365 -1.272 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423784155 927125600 /nfs/dbraw/zinc/12/56/00/927125600.db2.gz ABZKKDQGNKXLCL-GWCFXTLKSA-N 1 1 313.358 -2.011 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001423787583 927126301 /nfs/dbraw/zinc/12/63/01/927126301.db2.gz RHGYGMIKSQULDR-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001423787583 927126315 /nfs/dbraw/zinc/12/63/15/927126315.db2.gz RHGYGMIKSQULDR-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CC(CNC(=O)CNC(N)=O)C1 ZINC001423792218 927127165 /nfs/dbraw/zinc/12/71/65/927127165.db2.gz WPJFOUPSJPOLFW-UHFFFAOYSA-N 1 1 322.369 -1.129 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)N1 ZINC001423790850 927127657 /nfs/dbraw/zinc/12/76/57/927127657.db2.gz LCGBYOLMCBVVID-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001423790257 927127921 /nfs/dbraw/zinc/12/79/21/927127921.db2.gz GVTUIMXOQGHUIS-HZMBPMFUSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001423798377 927130868 /nfs/dbraw/zinc/13/08/68/927130868.db2.gz NTNKVTIZCKMRKD-HNNXBMFYSA-N 1 1 324.381 -1.109 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001423793767 927131117 /nfs/dbraw/zinc/13/11/17/927131117.db2.gz DZECYLDPTWXCHV-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423799150 927131203 /nfs/dbraw/zinc/13/12/03/927131203.db2.gz NVHOWXLTFXJZOU-BXUZGUMPSA-N 1 1 314.386 -1.366 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423797817 927131288 /nfs/dbraw/zinc/13/12/88/927131288.db2.gz WDZQMFYMEHXIIA-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423797817 927131294 /nfs/dbraw/zinc/13/12/94/927131294.db2.gz WDZQMFYMEHXIIA-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001423799767 927131523 /nfs/dbraw/zinc/13/15/23/927131523.db2.gz YHKATALPRGSSSC-FZMZJTMJSA-N 1 1 323.353 -1.143 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001423793774 927131651 /nfs/dbraw/zinc/13/16/51/927131651.db2.gz DZECYLDPTWXCHV-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798154 927132299 /nfs/dbraw/zinc/13/22/99/927132299.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798154 927132316 /nfs/dbraw/zinc/13/23/16/927132316.db2.gz FGYLVCCQYCPVBY-BXUZGUMPSA-N 1 1 314.386 -2.255 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001423800655 927133147 /nfs/dbraw/zinc/13/31/47/927133147.db2.gz LYODFGUYVAWDKT-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001423800655 927133154 /nfs/dbraw/zinc/13/31/54/927133154.db2.gz LYODFGUYVAWDKT-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO Cn1nnc(CN2CC[C@@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001423803555 927134342 /nfs/dbraw/zinc/13/43/42/927134342.db2.gz UMZCGQUYBYSHAY-SMDDNHRTSA-N 1 1 323.401 -1.785 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001423801270 927134504 /nfs/dbraw/zinc/13/45/04/927134504.db2.gz VEKMOUYJOXTVIB-ZDUSSCGKSA-N 1 1 310.358 -2.081 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001423801270 927134511 /nfs/dbraw/zinc/13/45/11/927134511.db2.gz VEKMOUYJOXTVIB-ZDUSSCGKSA-N 1 1 310.358 -2.081 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001423804696 927134881 /nfs/dbraw/zinc/13/48/81/927134881.db2.gz YQCYOZOWWVREGL-ZDUSSCGKSA-N 1 1 310.358 -1.662 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001423801319 927135009 /nfs/dbraw/zinc/13/50/09/927135009.db2.gz NIYAQBGAYFCHJV-RISCZKNCSA-N 1 1 300.403 -1.247 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001423803748 927135449 /nfs/dbraw/zinc/13/54/49/927135449.db2.gz VIENPYDXPHUHQI-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001423799775 927135858 /nfs/dbraw/zinc/13/58/58/927135858.db2.gz YHKATALPRGSSSC-SMDDNHRTSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423801338 927136213 /nfs/dbraw/zinc/13/62/13/927136213.db2.gz UPJDYHCIOXXFLP-FZMZJTMJSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001423801338 927136225 /nfs/dbraw/zinc/13/62/25/927136225.db2.gz UPJDYHCIOXXFLP-FZMZJTMJSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423801338 927136238 /nfs/dbraw/zinc/13/62/38/927136238.db2.gz UPJDYHCIOXXFLP-FZMZJTMJSA-N 1 1 309.370 -1.063 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001423801307 927136258 /nfs/dbraw/zinc/13/62/58/927136258.db2.gz NIYAQBGAYFCHJV-BXUZGUMPSA-N 1 1 300.403 -1.247 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423822718 927141614 /nfs/dbraw/zinc/14/16/14/927141614.db2.gz QQJZDYNYVGYBOX-UWVGGRQHSA-N 1 1 300.359 -1.757 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3cnnn3C)C2)CC[N@H+]1C ZINC001423824140 927142588 /nfs/dbraw/zinc/14/25/88/927142588.db2.gz YHIBEEHJBIEVGM-DGCLKSJQSA-N 1 1 322.413 -1.182 20 0 DAADMO CNC(=O)NCCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423825827 927143716 /nfs/dbraw/zinc/14/37/16/927143716.db2.gz NZFOQIYTJYTVTM-NSHDSACASA-N 1 1 314.386 -1.495 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001423824343 927143861 /nfs/dbraw/zinc/14/38/61/927143861.db2.gz JULKXALLNDYSRP-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001423826441 927143877 /nfs/dbraw/zinc/14/38/77/927143877.db2.gz HHRORJTZCYGSHR-LBPRGKRZSA-N 1 1 324.385 -2.228 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001423826441 927143885 /nfs/dbraw/zinc/14/38/85/927143885.db2.gz HHRORJTZCYGSHR-LBPRGKRZSA-N 1 1 324.385 -2.228 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001423830912 927145947 /nfs/dbraw/zinc/14/59/47/927145947.db2.gz DFJKUKNCSRMHQV-CYBMUJFWSA-N 1 1 315.414 -1.359 20 0 DAADMO CO[C@H](C)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423831243 927149297 /nfs/dbraw/zinc/14/92/97/927149297.db2.gz VICPJTCNBLCCDQ-VXGBXAGGSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@H](C)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423831243 927149310 /nfs/dbraw/zinc/14/93/10/927149310.db2.gz VICPJTCNBLCCDQ-VXGBXAGGSA-N 1 1 301.387 -1.485 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423833134 927149552 /nfs/dbraw/zinc/14/95/52/927149552.db2.gz YSHIGAZVCQILNG-LLVKDONJSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423833134 927149558 /nfs/dbraw/zinc/14/95/58/927149558.db2.gz YSHIGAZVCQILNG-LLVKDONJSA-N 1 1 324.385 -2.191 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001423834705 927151566 /nfs/dbraw/zinc/15/15/66/927151566.db2.gz URAZPZBXPUKBBB-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001423838759 927154226 /nfs/dbraw/zinc/15/42/26/927154226.db2.gz FJEZWAZPCQFLCQ-UHFFFAOYSA-N 1 1 312.414 -1.421 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001423839468 927154378 /nfs/dbraw/zinc/15/43/78/927154378.db2.gz CJAORGAPERKSDS-UHFFFAOYSA-N 1 1 308.338 -1.478 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001423872145 927161295 /nfs/dbraw/zinc/16/12/95/927161295.db2.gz BNLJOWHFNAVATJ-SNVBAGLBSA-N 1 1 319.427 -1.113 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423883030 927162980 /nfs/dbraw/zinc/16/29/80/927162980.db2.gz JLHYCYPGARBCLL-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001423888843 927166113 /nfs/dbraw/zinc/16/61/13/927166113.db2.gz UNBXLFWWFOZXOC-RISCZKNCSA-N 1 1 321.381 -1.063 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423907512 927169326 /nfs/dbraw/zinc/16/93/26/927169326.db2.gz DWOZIDROYJEBAG-NWDGAFQWSA-N 1 1 301.387 -1.892 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001423913183 927170870 /nfs/dbraw/zinc/17/08/70/927170870.db2.gz VJFIOBWZKOFSNK-LLVKDONJSA-N 1 1 309.370 -1.007 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001423908333 927170930 /nfs/dbraw/zinc/17/09/30/927170930.db2.gz SZSIEIDVXIALPL-OCCSQVGLSA-N 1 1 321.381 -1.132 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001423908339 927171873 /nfs/dbraw/zinc/17/18/73/927171873.db2.gz SZSIEIDVXIALPL-TZMCWYRMSA-N 1 1 321.381 -1.132 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2cnn(C)n2)C1 ZINC001423909274 927171946 /nfs/dbraw/zinc/17/19/46/927171946.db2.gz HVHUUJPMRMDSLQ-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001423922821 927174338 /nfs/dbraw/zinc/17/43/38/927174338.db2.gz ZYYRUBHHDYUNHZ-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001423966360 927175833 /nfs/dbraw/zinc/17/58/33/927175833.db2.gz JNJXNHKBULTRIF-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001423981059 927176698 /nfs/dbraw/zinc/17/66/98/927176698.db2.gz JBRGMJSGQVNONO-RQJABVFESA-N 1 1 314.382 -1.201 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001423966358 927176716 /nfs/dbraw/zinc/17/67/16/927176716.db2.gz JNJXNHKBULTRIF-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2C1 ZINC001423971822 927177083 /nfs/dbraw/zinc/17/70/83/927177083.db2.gz HSZYCOKLQZJJCG-TXEJJXNPSA-N 1 1 317.411 -1.443 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2C1 ZINC001423971822 927177087 /nfs/dbraw/zinc/17/70/87/927177087.db2.gz HSZYCOKLQZJJCG-TXEJJXNPSA-N 1 1 317.411 -1.443 20 0 DAADMO COCC(=O)NCCN1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001424000054 927178179 /nfs/dbraw/zinc/17/81/79/927178179.db2.gz YUVOMLVDOBTNJW-UHFFFAOYSA-N 1 1 311.390 -1.473 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001423981061 927178452 /nfs/dbraw/zinc/17/84/52/927178452.db2.gz JBRGMJSGQVNONO-XJFOESAGSA-N 1 1 314.382 -1.201 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCNC(=O)NC)C[C@H]2C1 ZINC001423988300 927178959 /nfs/dbraw/zinc/17/89/59/927178959.db2.gz HXMJYBOGUHOQPF-PHIMTYICSA-N 1 1 311.386 -1.558 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001423998372 927180152 /nfs/dbraw/zinc/18/01/52/927180152.db2.gz RKHFLSFTVIOLQW-LPEHRKFASA-N 1 1 318.399 -2.200 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001423987466 927180327 /nfs/dbraw/zinc/18/03/27/927180327.db2.gz YCKPKSHISIZTOJ-FRRDWIJNSA-N 1 1 324.385 -1.539 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001424011851 927181502 /nfs/dbraw/zinc/18/15/02/927181502.db2.gz HERAUKZQEMHGKM-AWEZNQCLSA-N 1 1 311.386 -1.065 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001424020685 927182247 /nfs/dbraw/zinc/18/22/47/927182247.db2.gz WAFCSMJZGLAPFZ-GXFFZTMASA-N 1 1 302.375 -1.631 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001424019444 927183100 /nfs/dbraw/zinc/18/31/00/927183100.db2.gz JGNVDMJJFXMGOC-AWEZNQCLSA-N 1 1 324.385 -1.270 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001424009466 927183339 /nfs/dbraw/zinc/18/33/39/927183339.db2.gz HKJQREAVPOLLHK-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCC(O)(C(N)=O)CC2)CC1 ZINC001424035979 927184549 /nfs/dbraw/zinc/18/45/49/927184549.db2.gz ZNSCSCQALCZEHD-UHFFFAOYSA-N 1 1 305.400 -1.277 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCOC)C1 ZINC001424023985 927185374 /nfs/dbraw/zinc/18/53/74/927185374.db2.gz RIRAWTFRZSRIBH-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCOC)C1 ZINC001424023982 927185418 /nfs/dbraw/zinc/18/54/18/927185418.db2.gz RIRAWTFRZSRIBH-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001424043516 927189038 /nfs/dbraw/zinc/18/90/38/927189038.db2.gz LLOXNNWQRKKVOK-WYUUTHIRSA-N 1 1 324.385 -1.426 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001424043510 927189433 /nfs/dbraw/zinc/18/94/33/927189433.db2.gz LLOXNNWQRKKVOK-NNYUYHANSA-N 1 1 324.385 -1.426 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)CN1CCCC1 ZINC001424055183 927191244 /nfs/dbraw/zinc/19/12/44/927191244.db2.gz UPLIHPCIMQQXJU-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001424052819 927191419 /nfs/dbraw/zinc/19/14/19/927191419.db2.gz SSKHCQZVYRKEEY-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ccnn1C)c1nnnn1C ZINC001424070960 927193656 /nfs/dbraw/zinc/19/36/56/927193656.db2.gz QUFGQYNHRHRTMU-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110735 927196490 /nfs/dbraw/zinc/19/64/90/927196490.db2.gz YWKGCBKNMDPWJX-QWRGUYRKSA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110735 927196494 /nfs/dbraw/zinc/19/64/94/927196494.db2.gz YWKGCBKNMDPWJX-QWRGUYRKSA-N 1 1 324.385 -1.359 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)C(=O)CNC(N)=O ZINC001424145458 927201005 /nfs/dbraw/zinc/20/10/05/927201005.db2.gz MXWYUBNSLMGQEW-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nncn2C)CCC1 ZINC001424175582 927203026 /nfs/dbraw/zinc/20/30/26/927203026.db2.gz RGNZDELDKZXMGI-UHFFFAOYSA-N 1 1 309.374 -1.127 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001424148557 927203640 /nfs/dbraw/zinc/20/36/40/927203640.db2.gz KIMBLGNGYHMOMU-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001424226701 927211598 /nfs/dbraw/zinc/21/15/98/927211598.db2.gz HVGCXPMWWMRDHK-GFCCVEGCSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001424284396 927215904 /nfs/dbraw/zinc/21/59/04/927215904.db2.gz XGECZVAOWQABJA-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001424255846 927216041 /nfs/dbraw/zinc/21/60/41/927216041.db2.gz ABXPRVRDTCYFRC-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001424281456 927216623 /nfs/dbraw/zinc/21/66/23/927216623.db2.gz RSIFWZLENXETTF-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001424307987 927218928 /nfs/dbraw/zinc/21/89/28/927218928.db2.gz PGSIBQHPFXIDPA-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001424307990 927219217 /nfs/dbraw/zinc/21/92/17/927219217.db2.gz PGSIBQHPFXIDPA-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001424294973 927219637 /nfs/dbraw/zinc/21/96/37/927219637.db2.gz GCAMGERYXWMWLS-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001424317796 927219808 /nfs/dbraw/zinc/21/98/08/927219808.db2.gz NFSSJAPVMLGPLT-UWVGGRQHSA-N 1 1 300.359 -1.254 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC2(C[NH+](C[C@@H](C)O)C2)O1 ZINC001424342584 927224555 /nfs/dbraw/zinc/22/45/55/927224555.db2.gz BWPQDVVSEKZKLN-GHMZBOCLSA-N 1 1 314.386 -1.354 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccn(C)n2)C1 ZINC001424392380 927228826 /nfs/dbraw/zinc/22/88/26/927228826.db2.gz IUHIQNMKNXAONX-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO O=C(NC1(C[NH2+]Cc2cnon2)CCOCC1)[C@@H]1CNC(=O)N1 ZINC001424429406 927234806 /nfs/dbraw/zinc/23/48/06/927234806.db2.gz RFSYHGIRCJGJBK-JTQLQIEISA-N 1 1 324.341 -1.494 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001424550786 927243510 /nfs/dbraw/zinc/24/35/10/927243510.db2.gz OHFHQYRUSPDRAX-UHFFFAOYSA-N 1 1 321.341 -1.127 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424555353 927244211 /nfs/dbraw/zinc/24/42/11/927244211.db2.gz ZEWDKXTYBFPWTN-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001424555353 927244222 /nfs/dbraw/zinc/24/42/22/927244222.db2.gz ZEWDKXTYBFPWTN-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC001424563003 927244372 /nfs/dbraw/zinc/24/43/72/927244372.db2.gz YFPURJYCCOQXOQ-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001424635377 927248883 /nfs/dbraw/zinc/24/88/83/927248883.db2.gz IOIOHQDTCXXVHM-NXEZZACHSA-N 1 1 312.370 -1.918 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ncccn2)CC1 ZINC001424660882 927249996 /nfs/dbraw/zinc/24/99/96/927249996.db2.gz WUMCRVSXFTWTPJ-SNVBAGLBSA-N 1 1 307.354 -1.093 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001424688012 927250373 /nfs/dbraw/zinc/25/03/73/927250373.db2.gz OJGXISWATNWVHC-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001424688012 927250389 /nfs/dbraw/zinc/25/03/89/927250389.db2.gz OJGXISWATNWVHC-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ncccn2)CC1 ZINC001424660874 927250558 /nfs/dbraw/zinc/25/05/58/927250558.db2.gz WUMCRVSXFTWTPJ-JTQLQIEISA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001424647537 927251543 /nfs/dbraw/zinc/25/15/43/927251543.db2.gz HCLODZNCEYOUCT-BDAKNGLRSA-N 1 1 313.358 -2.515 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001424692795 927253642 /nfs/dbraw/zinc/25/36/42/927253642.db2.gz CMDQZPBSNOWBFF-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](C)O ZINC001424700969 927254008 /nfs/dbraw/zinc/25/40/08/927254008.db2.gz IPUAXIFPCKTHEA-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001424698364 927254331 /nfs/dbraw/zinc/25/43/31/927254331.db2.gz VQDWTMZWELEKGN-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001424710038 927254435 /nfs/dbraw/zinc/25/44/35/927254435.db2.gz IVIMRPCQMOFAPX-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001424710038 927254446 /nfs/dbraw/zinc/25/44/46/927254446.db2.gz IVIMRPCQMOFAPX-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001424815357 927259545 /nfs/dbraw/zinc/25/95/45/927259545.db2.gz JGPJRPVIMJQNSA-GHMZBOCLSA-N 1 1 323.401 -1.770 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001424903130 927260790 /nfs/dbraw/zinc/26/07/90/927260790.db2.gz UFARQWCHQXGGLK-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001424903130 927260809 /nfs/dbraw/zinc/26/08/09/927260809.db2.gz UFARQWCHQXGGLK-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001424943865 927263195 /nfs/dbraw/zinc/26/31/95/927263195.db2.gz UTLUVUYUROIPOJ-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424943865 927263203 /nfs/dbraw/zinc/26/32/03/927263203.db2.gz UTLUVUYUROIPOJ-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001424933631 927263910 /nfs/dbraw/zinc/26/39/10/927263910.db2.gz PRDGTOHSJJASSX-WDEREUQCSA-N 1 1 309.432 -1.011 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001424933631 927263925 /nfs/dbraw/zinc/26/39/25/927263925.db2.gz PRDGTOHSJJASSX-WDEREUQCSA-N 1 1 309.432 -1.011 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001424928380 927264309 /nfs/dbraw/zinc/26/43/09/927264309.db2.gz JHFBZENZIVBQKR-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424928380 927264323 /nfs/dbraw/zinc/26/43/23/927264323.db2.gz JHFBZENZIVBQKR-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424952999 927264384 /nfs/dbraw/zinc/26/43/84/927264384.db2.gz WGLNJPNVCAPPKL-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424952999 927264397 /nfs/dbraw/zinc/26/43/97/927264397.db2.gz WGLNJPNVCAPPKL-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1ccnn1C ZINC001424969339 927266717 /nfs/dbraw/zinc/26/67/17/927266717.db2.gz KOZANAQKEFYDDA-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1ccnn1C ZINC001424969339 927266727 /nfs/dbraw/zinc/26/67/27/927266727.db2.gz KOZANAQKEFYDDA-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001424973530 927266864 /nfs/dbraw/zinc/26/68/64/927266864.db2.gz QSRWCDWCKSDMBW-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001424973530 927266879 /nfs/dbraw/zinc/26/68/79/927266879.db2.gz QSRWCDWCKSDMBW-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCOC1 ZINC001425003342 927269829 /nfs/dbraw/zinc/26/98/29/927269829.db2.gz YGOAPGVOHBGZQC-WDEREUQCSA-N 1 1 322.431 -1.487 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001425006261 927270613 /nfs/dbraw/zinc/27/06/13/927270613.db2.gz UTTFFDXHNFPZNI-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001425006261 927270627 /nfs/dbraw/zinc/27/06/27/927270627.db2.gz UTTFFDXHNFPZNI-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001425020934 927270828 /nfs/dbraw/zinc/27/08/28/927270828.db2.gz IMKFYDABHATOOI-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001425020934 927270839 /nfs/dbraw/zinc/27/08/39/927270839.db2.gz IMKFYDABHATOOI-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[N@H+](C)[C@H](C)C(N)=O ZINC001424996228 927271171 /nfs/dbraw/zinc/27/11/71/927271171.db2.gz NLUOMKVAGCUAJL-NXEZZACHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[N@@H+](C)[C@H](C)C(N)=O ZINC001424996228 927271186 /nfs/dbraw/zinc/27/11/86/927271186.db2.gz NLUOMKVAGCUAJL-NXEZZACHSA-N 1 1 312.374 -1.718 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425004117 927272119 /nfs/dbraw/zinc/27/21/19/927272119.db2.gz UTXBIJFVIKTPLM-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425004117 927272134 /nfs/dbraw/zinc/27/21/34/927272134.db2.gz UTXBIJFVIKTPLM-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001425056555 927272693 /nfs/dbraw/zinc/27/26/93/927272693.db2.gz HHXHKAFRWBPLHI-CHWSQXEVSA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CCO ZINC001425050741 927273175 /nfs/dbraw/zinc/27/31/75/927273175.db2.gz AHAGJELQNVLLSM-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)[N@H+](C)CC(N)=O ZINC001425060195 927274924 /nfs/dbraw/zinc/27/49/24/927274924.db2.gz GWDKAUQMVJSPRU-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)[N@@H+](C)CC(N)=O ZINC001425060195 927274933 /nfs/dbraw/zinc/27/49/33/927274933.db2.gz GWDKAUQMVJSPRU-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001425061452 927275416 /nfs/dbraw/zinc/27/54/16/927275416.db2.gz XVNTXYQLSJTDJX-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@@H+](C)C[C@H](C)O ZINC001425081501 927277847 /nfs/dbraw/zinc/27/78/47/927277847.db2.gz XAJLMASWDAEFEL-NEPJUHHUSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@H+](C)C[C@H](C)O ZINC001425081501 927277861 /nfs/dbraw/zinc/27/78/61/927277861.db2.gz XAJLMASWDAEFEL-NEPJUHHUSA-N 1 1 321.443 -1.466 20 0 DAADMO CN1CC[C@@H](N2CC(CCO)(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001425089613 927278733 /nfs/dbraw/zinc/27/87/33/927278733.db2.gz BZDBSWMHLGJPOQ-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001425137263 927286115 /nfs/dbraw/zinc/28/61/15/927286115.db2.gz XLIGKQRGGTWAFQ-LLVKDONJSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001425137263 927286127 /nfs/dbraw/zinc/28/61/27/927286127.db2.gz XLIGKQRGGTWAFQ-LLVKDONJSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001425137270 927286791 /nfs/dbraw/zinc/28/67/91/927286791.db2.gz XLIGKQRGGTWAFQ-NSHDSACASA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001425137270 927286799 /nfs/dbraw/zinc/28/67/99/927286799.db2.gz XLIGKQRGGTWAFQ-NSHDSACASA-N 1 1 314.386 -2.255 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001425132204 927286971 /nfs/dbraw/zinc/28/69/71/927286971.db2.gz IBYODTTVSMDDPL-NEPJUHHUSA-N 1 1 312.414 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001425164872 927289219 /nfs/dbraw/zinc/28/92/19/927289219.db2.gz FCGMPEADEWAJFZ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425211934 927290581 /nfs/dbraw/zinc/29/05/81/927290581.db2.gz NMQWEJGZIQFXBN-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425217960 927290969 /nfs/dbraw/zinc/29/09/69/927290969.db2.gz UYFIXCKAKUAOBQ-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425217973 927291140 /nfs/dbraw/zinc/29/11/40/927291140.db2.gz UYFIXCKAKUAOBQ-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001425247191 927292455 /nfs/dbraw/zinc/29/24/55/927292455.db2.gz WJVSJXBMMAFAPP-KOLCDFICSA-N 1 1 311.386 -1.371 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001425299975 927306775 /nfs/dbraw/zinc/30/67/75/927306775.db2.gz IUDAXFIWGIYCLF-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001425299975 927306784 /nfs/dbraw/zinc/30/67/84/927306784.db2.gz IUDAXFIWGIYCLF-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001425295895 927308136 /nfs/dbraw/zinc/30/81/36/927308136.db2.gz JAAVBBTYEHIWFJ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001425295895 927308150 /nfs/dbraw/zinc/30/81/50/927308150.db2.gz JAAVBBTYEHIWFJ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC001425309043 927313475 /nfs/dbraw/zinc/31/34/75/927313475.db2.gz FBUJCZAFXFNYKK-RTCCRHLQSA-N 1 1 306.370 -1.141 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001425316858 927316974 /nfs/dbraw/zinc/31/69/74/927316974.db2.gz LLJCWCFMTPTHIM-KKOKHZNYSA-N 1 1 319.427 -1.400 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001425315909 927317195 /nfs/dbraw/zinc/31/71/95/927317195.db2.gz KJMLITWWSLXDOW-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001425315909 927317203 /nfs/dbraw/zinc/31/72/03/927317203.db2.gz KJMLITWWSLXDOW-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO CC[C@H](OC)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001425322054 927317660 /nfs/dbraw/zinc/31/76/60/927317660.db2.gz NMHHCSPUVYNYPM-MMWGEVLESA-N 1 1 312.370 -1.100 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001425324622 927319661 /nfs/dbraw/zinc/31/96/61/927319661.db2.gz QRBLFZHGMTVJDT-DBIOUOCHSA-N 1 1 307.358 -1.898 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001425324087 927319863 /nfs/dbraw/zinc/31/98/63/927319863.db2.gz WGVGJVIZTSMHRN-CNDDSTCGSA-N 1 1 319.427 -1.134 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425332197 927321874 /nfs/dbraw/zinc/32/18/74/927321874.db2.gz UWLUXBXFHURCLH-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001425342974 927323288 /nfs/dbraw/zinc/32/32/88/927323288.db2.gz ARNBMHVAKPNABG-CNDDSTCGSA-N 1 1 319.427 -1.446 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(=O)[nH]n1 ZINC001425337198 927324254 /nfs/dbraw/zinc/32/42/54/927324254.db2.gz RNCORSAHIYFNIN-ONGXEEELSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cncnc1 ZINC001425348043 927325326 /nfs/dbraw/zinc/32/53/26/927325326.db2.gz GDEBJJDIBMZBEV-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348827 927327361 /nfs/dbraw/zinc/32/73/61/927327361.db2.gz LRFZYOOHCSOITL-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348827 927327371 /nfs/dbraw/zinc/32/73/71/927327371.db2.gz LRFZYOOHCSOITL-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348820 927327767 /nfs/dbraw/zinc/32/77/67/927327767.db2.gz LRFZYOOHCSOITL-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348820 927327779 /nfs/dbraw/zinc/32/77/79/927327779.db2.gz LRFZYOOHCSOITL-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425352609 927330642 /nfs/dbraw/zinc/33/06/42/927330642.db2.gz RTWGVTKGIXKJSB-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425362407 927334397 /nfs/dbraw/zinc/33/43/97/927334397.db2.gz QVJITRAJXUWNEE-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CC2(O)CCC2)C1 ZINC001425369354 927338561 /nfs/dbraw/zinc/33/85/61/927338561.db2.gz KPACBYNZNXDDIB-NWDGAFQWSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCNC(N)=O ZINC001425372754 927340099 /nfs/dbraw/zinc/34/00/99/927340099.db2.gz PTUOEJAPZFSNBJ-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001425388139 927344410 /nfs/dbraw/zinc/34/44/10/927344410.db2.gz DHEUUTKZPBTSPE-ZOWXZIJZSA-N 1 1 322.365 -1.179 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001425394808 927345180 /nfs/dbraw/zinc/34/51/80/927345180.db2.gz RKPAWIHMJQNONB-LLVKDONJSA-N 1 1 311.342 -2.079 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001425392401 927346119 /nfs/dbraw/zinc/34/61/19/927346119.db2.gz NHEBLIRJPUBHSZ-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ccnn1C ZINC001425391633 927346192 /nfs/dbraw/zinc/34/61/92/927346192.db2.gz MKCBHRLXTWUEGY-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001425394131 927346363 /nfs/dbraw/zinc/34/63/63/927346363.db2.gz OYWPOUJVWMFCGI-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001425391286 927346498 /nfs/dbraw/zinc/34/64/98/927346498.db2.gz JNWMZMGZILIBEU-UWVGGRQHSA-N 1 1 324.385 -1.839 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C2=COCCO2)C1 ZINC001425393719 927346573 /nfs/dbraw/zinc/34/65/73/927346573.db2.gz NLUMJVDHYVTKHQ-GHMZBOCLSA-N 1 1 313.354 -1.580 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C2=COCCO2)C1 ZINC001425393726 927346911 /nfs/dbraw/zinc/34/69/11/927346911.db2.gz NLUMJVDHYVTKHQ-MNOVXSKESA-N 1 1 313.354 -1.580 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C2=COCCO2)C1 ZINC001425393736 927346939 /nfs/dbraw/zinc/34/69/39/927346939.db2.gz NLUMJVDHYVTKHQ-WDEREUQCSA-N 1 1 313.354 -1.580 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001425400604 927348526 /nfs/dbraw/zinc/34/85/26/927348526.db2.gz YGEKAYXHAHRXCQ-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCO1 ZINC001425396091 927349180 /nfs/dbraw/zinc/34/91/80/927349180.db2.gz VPOZJGWGLCPEAQ-VXGBXAGGSA-N 1 1 310.354 -1.036 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cn1cnnn1 ZINC001425401529 927350100 /nfs/dbraw/zinc/35/01/00/927350100.db2.gz BGHPAJSHMFKAER-SNVBAGLBSA-N 1 1 313.362 -2.393 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1cncnc1 ZINC001425418575 927353984 /nfs/dbraw/zinc/35/39/84/927353984.db2.gz WNZQTJQRTCVNND-ZDUSSCGKSA-N 1 1 323.397 -1.047 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001425426451 927356751 /nfs/dbraw/zinc/35/67/51/927356751.db2.gz LLUZDQUZJFXHAS-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001425442775 927359729 /nfs/dbraw/zinc/35/97/29/927359729.db2.gz LTWKJCUYCDIECN-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001425439457 927360963 /nfs/dbraw/zinc/36/09/63/927360963.db2.gz MPGYDZOBQMSEIN-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439468 927360998 /nfs/dbraw/zinc/36/09/98/927360998.db2.gz BBFODVNWPVRFBS-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439468 927361011 /nfs/dbraw/zinc/36/10/11/927361011.db2.gz BBFODVNWPVRFBS-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001425440916 927361420 /nfs/dbraw/zinc/36/14/20/927361420.db2.gz HUWUXOPNZWQSJG-UHFFFAOYSA-N 1 1 320.415 -1.537 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425442347 927361614 /nfs/dbraw/zinc/36/16/14/927361614.db2.gz LEUQOAVUSOBHBK-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001425447004 927362829 /nfs/dbraw/zinc/36/28/29/927362829.db2.gz ZMFAHLIGFCKNCY-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001425445901 927363398 /nfs/dbraw/zinc/36/33/98/927363398.db2.gz MUMWSMSBVAULHE-RYUDHWBXSA-N 1 1 310.354 -1.036 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001425447005 927363872 /nfs/dbraw/zinc/36/38/72/927363872.db2.gz ZMFAHLIGFCKNCY-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)COCC(F)F ZINC001425443656 927364395 /nfs/dbraw/zinc/36/43/95/927364395.db2.gz NWJSDNYDSKNJKG-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ccnn1C ZINC001425452612 927364808 /nfs/dbraw/zinc/36/48/08/927364808.db2.gz NTJACURMPCPWOG-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ccnn1C ZINC001425452609 927365179 /nfs/dbraw/zinc/36/51/79/927365179.db2.gz NTJACURMPCPWOG-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CNC(=O)N1 ZINC001425456389 927365329 /nfs/dbraw/zinc/36/53/29/927365329.db2.gz ZIRSWCXIGSTKHD-VHSXEESVSA-N 1 1 324.341 -2.534 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001425463759 927371144 /nfs/dbraw/zinc/37/11/44/927371144.db2.gz CINWZXQDRTZMGQ-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001425463759 927371159 /nfs/dbraw/zinc/37/11/59/927371159.db2.gz CINWZXQDRTZMGQ-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001425463759 927371172 /nfs/dbraw/zinc/37/11/72/927371172.db2.gz CINWZXQDRTZMGQ-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001425463759 927371185 /nfs/dbraw/zinc/37/11/85/927371185.db2.gz CINWZXQDRTZMGQ-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001425463759 927371191 /nfs/dbraw/zinc/37/11/91/927371191.db2.gz CINWZXQDRTZMGQ-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001425475316 927373287 /nfs/dbraw/zinc/37/32/87/927373287.db2.gz QQLYZAUAEHXTMB-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425475316 927373300 /nfs/dbraw/zinc/37/33/00/927373300.db2.gz QQLYZAUAEHXTMB-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425475316 927373316 /nfs/dbraw/zinc/37/33/16/927373316.db2.gz QQLYZAUAEHXTMB-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425475316 927373328 /nfs/dbraw/zinc/37/33/28/927373328.db2.gz QQLYZAUAEHXTMB-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425475316 927373342 /nfs/dbraw/zinc/37/33/42/927373342.db2.gz QQLYZAUAEHXTMB-VIFPVBQESA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001425485534 927377397 /nfs/dbraw/zinc/37/73/97/927377397.db2.gz LSTXLDYUEQCVDZ-VIFPVBQESA-N 1 1 308.298 -1.518 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001425521604 927387220 /nfs/dbraw/zinc/38/72/20/927387220.db2.gz LAPXAJGDYMMENU-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425524753 927387335 /nfs/dbraw/zinc/38/73/35/927387335.db2.gz DPFZAURFACZECW-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425524753 927387347 /nfs/dbraw/zinc/38/73/47/927387347.db2.gz DPFZAURFACZECW-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425524753 927387362 /nfs/dbraw/zinc/38/73/62/927387362.db2.gz DPFZAURFACZECW-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001425524621 927387385 /nfs/dbraw/zinc/38/73/85/927387385.db2.gz FZPXURLTCHLZRZ-SNVBAGLBSA-N 1 1 324.385 -1.119 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001425521618 927387782 /nfs/dbraw/zinc/38/77/82/927387782.db2.gz LAPXAJGDYMMENU-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001425532397 927388836 /nfs/dbraw/zinc/38/88/36/927388836.db2.gz IPKOOERVFVFICD-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425537933 927392985 /nfs/dbraw/zinc/39/29/85/927392985.db2.gz YYKASWGZXLOIAO-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537933 927392999 /nfs/dbraw/zinc/39/29/99/927392999.db2.gz YYKASWGZXLOIAO-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537933 927393014 /nfs/dbraw/zinc/39/30/14/927393014.db2.gz YYKASWGZXLOIAO-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001425601659 927396515 /nfs/dbraw/zinc/39/65/15/927396515.db2.gz NCGKNYHLEFRXNT-KOLCDFICSA-N 1 1 309.374 -1.225 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001425705070 927402249 /nfs/dbraw/zinc/40/22/49/927402249.db2.gz AGEYWVUTNRJTQA-GHMZBOCLSA-N 1 1 323.353 -1.670 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)nn1C ZINC001425714383 927405459 /nfs/dbraw/zinc/40/54/59/927405459.db2.gz PODFSZKUVRMSPB-LLVKDONJSA-N 1 1 308.346 -2.018 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1snnc1C ZINC001425712889 927405546 /nfs/dbraw/zinc/40/55/46/927405546.db2.gz NJPHPSGNPCMJSV-SECBINFHSA-N 1 1 315.399 -1.061 20 0 DAADMO Cc1ccnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001425724086 927407863 /nfs/dbraw/zinc/40/78/63/927407863.db2.gz AUYQBBBXFIZBLO-QWHCGFSZSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1ccnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001425724086 927407877 /nfs/dbraw/zinc/40/78/77/927407877.db2.gz AUYQBBBXFIZBLO-QWHCGFSZSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001425721798 927408876 /nfs/dbraw/zinc/40/88/76/927408876.db2.gz LQPOJTFLJOVETO-SNVBAGLBSA-N 1 1 305.356 -1.406 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1cnccn1 ZINC001425720503 927409532 /nfs/dbraw/zinc/40/95/32/927409532.db2.gz IIQQROQJODJHCE-VHSXEESVSA-N 1 1 311.342 -1.483 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001425729676 927410853 /nfs/dbraw/zinc/41/08/53/927410853.db2.gz IFONUFQAGJVUSK-RYUDHWBXSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001425729676 927410860 /nfs/dbraw/zinc/41/08/60/927410860.db2.gz IFONUFQAGJVUSK-RYUDHWBXSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O)n1 ZINC001425728460 927411064 /nfs/dbraw/zinc/41/10/64/927411064.db2.gz DBHNFYGYNXAYNH-CYBMUJFWSA-N 1 1 311.386 -1.052 20 0 DAADMO Cc1conc1CN[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425738221 927415726 /nfs/dbraw/zinc/41/57/26/927415726.db2.gz RRTVFYOZBKXHKR-WCQYABFASA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1conc1CN[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425738221 927415733 /nfs/dbraw/zinc/41/57/33/927415733.db2.gz RRTVFYOZBKXHKR-WCQYABFASA-N 1 1 312.370 -1.120 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001425738136 927415994 /nfs/dbraw/zinc/41/59/94/927415994.db2.gz PSYHEEZGSDTCBM-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(N)=O)nn1C ZINC001425742410 927418360 /nfs/dbraw/zinc/41/83/60/927418360.db2.gz UKOSBQPIRCFUKR-GXSJLCMTSA-N 1 1 312.374 -1.648 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(N)=O)nn1C ZINC001425742414 927418737 /nfs/dbraw/zinc/41/87/37/927418737.db2.gz UKOSBQPIRCFUKR-ONGXEEELSA-N 1 1 312.374 -1.648 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)cn1 ZINC001425747612 927420833 /nfs/dbraw/zinc/42/08/33/927420833.db2.gz TYCKPNIKMPJXBN-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001425750632 927424137 /nfs/dbraw/zinc/42/41/37/927424137.db2.gz GVKRRLZZRLAMRG-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001425757615 927426840 /nfs/dbraw/zinc/42/68/40/927426840.db2.gz YYTHEACCMURXNG-BDAKNGLRSA-N 1 1 307.372 -2.494 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001425757623 927427222 /nfs/dbraw/zinc/42/72/22/927427222.db2.gz YYTHEACCMURXNG-RKDXNWHRSA-N 1 1 307.372 -2.494 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425760349 927431083 /nfs/dbraw/zinc/43/10/83/927431083.db2.gz KZUUJHCYFVVOLW-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425760349 927431093 /nfs/dbraw/zinc/43/10/93/927431093.db2.gz KZUUJHCYFVVOLW-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ncnn2C)CC[N@H+]1C ZINC001425765145 927433024 /nfs/dbraw/zinc/43/30/24/927433024.db2.gz ZSGWSQYTLCYPCW-IJLUTSLNSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425768157 927434584 /nfs/dbraw/zinc/43/45/84/927434584.db2.gz CBVAPRFVDJCFFU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001425766510 927435665 /nfs/dbraw/zinc/43/56/65/927435665.db2.gz QQVLHLAILAVTQK-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001425766510 927435676 /nfs/dbraw/zinc/43/56/76/927435676.db2.gz QQVLHLAILAVTQK-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1cnnc1CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425769656 927438782 /nfs/dbraw/zinc/43/87/82/927438782.db2.gz NHZYMEVJVIRPCI-NWDGAFQWSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001425782219 927442450 /nfs/dbraw/zinc/44/24/50/927442450.db2.gz RHOATZKOBFAUAS-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001425781979 927443429 /nfs/dbraw/zinc/44/34/29/927443429.db2.gz KJWFKLKRHANDIS-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001425790140 927447888 /nfs/dbraw/zinc/44/78/88/927447888.db2.gz CVGJBLQAKBENBP-ZYHUDNBSSA-N 1 1 323.353 -1.662 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001425789772 927448306 /nfs/dbraw/zinc/44/83/06/927448306.db2.gz QZTLYRQSZXQIBR-LLVKDONJSA-N 1 1 324.341 -1.855 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001425796594 927450254 /nfs/dbraw/zinc/45/02/54/927450254.db2.gz QZLMXFFWIZDLCH-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001425796855 927450269 /nfs/dbraw/zinc/45/02/69/927450269.db2.gz DMKIVLCWOBMKKU-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)c1c[nH]c(=O)cn1 ZINC001425794549 927451661 /nfs/dbraw/zinc/45/16/61/927451661.db2.gz IMMDGKSMCGRWMR-SSDOTTSWSA-N 1 1 310.339 -1.498 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425799227 927452850 /nfs/dbraw/zinc/45/28/50/927452850.db2.gz PMNWEKSINNZIIK-ZYHUDNBSSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425801314 927453079 /nfs/dbraw/zinc/45/30/79/927453079.db2.gz RSZCOGUWPBFKGB-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425801314 927453084 /nfs/dbraw/zinc/45/30/84/927453084.db2.gz RSZCOGUWPBFKGB-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425801314 927453092 /nfs/dbraw/zinc/45/30/92/927453092.db2.gz RSZCOGUWPBFKGB-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO Cn1cc(CC[NH2+][C@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 ZINC001425825662 927466479 /nfs/dbraw/zinc/46/64/79/927466479.db2.gz PDJSULUPKGMJHH-ZDUSSCGKSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001425840328 927470587 /nfs/dbraw/zinc/47/05/87/927470587.db2.gz LSGBTLSOKNCLJG-CHWSQXEVSA-N 1 1 312.414 -1.182 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001425840573 927471774 /nfs/dbraw/zinc/47/17/74/927471774.db2.gz MWWMHZWIOGRGKO-RYUDHWBXSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001425840573 927471782 /nfs/dbraw/zinc/47/17/82/927471782.db2.gz MWWMHZWIOGRGKO-RYUDHWBXSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001425840573 927471790 /nfs/dbraw/zinc/47/17/90/927471790.db2.gz MWWMHZWIOGRGKO-RYUDHWBXSA-N 1 1 300.403 -1.376 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001425836705 927471914 /nfs/dbraw/zinc/47/19/14/927471914.db2.gz PIWPGBNODBIEGX-GFCCVEGCSA-N 1 1 310.398 -1.573 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843101 927473374 /nfs/dbraw/zinc/47/33/74/927473374.db2.gz ZMPUVLSWHDTPLP-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843101 927473380 /nfs/dbraw/zinc/47/33/80/927473380.db2.gz ZMPUVLSWHDTPLP-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCn1nncc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425848342 927476678 /nfs/dbraw/zinc/47/66/78/927476678.db2.gz ZXTHZRBUTQFEOQ-VXGBXAGGSA-N 1 1 310.402 -1.184 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001425923241 927488360 /nfs/dbraw/zinc/48/83/60/927488360.db2.gz SOOQIANCTVYFMX-ZJUUUORDSA-N 1 1 315.399 -1.029 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 ZINC001425900072 927488672 /nfs/dbraw/zinc/48/86/72/927488672.db2.gz IENUAGPDXIXLIT-QMTHXVAHSA-N 1 1 311.386 -1.096 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)c1cn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001425900920 927489255 /nfs/dbraw/zinc/48/92/55/927489255.db2.gz XEWPGMRZLAWXSH-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCOC1 ZINC001425977374 927490474 /nfs/dbraw/zinc/49/04/74/927490474.db2.gz AUUKOZRHEDWDQE-MNOVXSKESA-N 1 1 312.374 -1.454 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001425924018 927491145 /nfs/dbraw/zinc/49/11/45/927491145.db2.gz GJAVMSJRRLMRAE-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCNC(N)=O ZINC001425929538 927491629 /nfs/dbraw/zinc/49/16/29/927491629.db2.gz ZVTCATZJIAMFJG-BDAKNGLRSA-N 1 1 310.362 -1.653 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001425973808 927492298 /nfs/dbraw/zinc/49/22/98/927492298.db2.gz QHTMPFIUBVSHKM-LLVKDONJSA-N 1 1 323.357 -1.031 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001425976801 927492459 /nfs/dbraw/zinc/49/24/59/927492459.db2.gz YUBHXZGDPUCLAY-SECBINFHSA-N 1 1 301.372 -1.417 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001425924026 927492557 /nfs/dbraw/zinc/49/25/57/927492557.db2.gz GJAVMSJRRLMRAE-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO CN(C[C@@H](O)CNCc1ncnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425978311 927493456 /nfs/dbraw/zinc/49/34/56/927493456.db2.gz CZCIXZPFDFITGY-RYUDHWBXSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1=CCOCC1 ZINC001425991059 927497454 /nfs/dbraw/zinc/49/74/54/927497454.db2.gz AKQMOZIBTGGQHT-NSHDSACASA-N 1 1 310.358 -1.534 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C)n1cncn1 ZINC001426000002 927499195 /nfs/dbraw/zinc/49/91/95/927499195.db2.gz MQZREKKXHNQNJF-MNOVXSKESA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1CCNC1=O ZINC001426002160 927499647 /nfs/dbraw/zinc/49/96/47/927499647.db2.gz IYQBRTFFRQJDHB-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001426011153 927502390 /nfs/dbraw/zinc/50/23/90/927502390.db2.gz FYJWASAEKIDHGT-DTWKUNHWSA-N 1 1 313.362 -2.370 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCCC(=O)N1 ZINC001426011500 927502734 /nfs/dbraw/zinc/50/27/34/927502734.db2.gz FBCIJGXQYHPXFP-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001426012764 927502801 /nfs/dbraw/zinc/50/28/01/927502801.db2.gz WTJBGYUZAIIQST-NSHDSACASA-N 1 1 324.385 -1.377 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001426020717 927504731 /nfs/dbraw/zinc/50/47/31/927504731.db2.gz DAEWOSBEIQNAMB-YGRLFVJLSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1csnn1 ZINC001426019114 927506587 /nfs/dbraw/zinc/50/65/87/927506587.db2.gz MNXSDOOFXMMURA-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccncn1 ZINC001426021275 927507478 /nfs/dbraw/zinc/50/74/78/927507478.db2.gz CLGWZFVPZFOPQZ-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccncn1 ZINC001426021423 927509585 /nfs/dbraw/zinc/50/95/85/927509585.db2.gz DPEJUPYGGFBJCY-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001426026122 927509628 /nfs/dbraw/zinc/50/96/28/927509628.db2.gz NRTBWADBGOWEEC-ZJUUUORDSA-N 1 1 322.373 -1.354 20 0 DAADMO CN(C[C@H](O)CNCc1cnnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001426033619 927510669 /nfs/dbraw/zinc/51/06/69/927510669.db2.gz UKMAMDHQZIPMMG-CYBMUJFWSA-N 1 1 322.413 -1.180 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1nnc[nH]1 ZINC001426027677 927512107 /nfs/dbraw/zinc/51/21/07/927512107.db2.gz CKFIQFGYJSJEPE-SNVBAGLBSA-N 1 1 308.346 -1.915 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426034526 927515387 /nfs/dbraw/zinc/51/53/87/927515387.db2.gz OQTXPPDIHBVRRH-NSHDSACASA-N 1 1 323.357 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001426057730 927517661 /nfs/dbraw/zinc/51/76/61/927517661.db2.gz MWWGZXGYVLLZQF-NEPJUHHUSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057730 927517673 /nfs/dbraw/zinc/51/76/73/927517673.db2.gz MWWGZXGYVLLZQF-NEPJUHHUSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057730 927517688 /nfs/dbraw/zinc/51/76/88/927517688.db2.gz MWWGZXGYVLLZQF-NEPJUHHUSA-N 1 1 311.386 -1.033 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001426055941 927517776 /nfs/dbraw/zinc/51/77/76/927517776.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 1 1 316.402 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001426055941 927517789 /nfs/dbraw/zinc/51/77/89/927517789.db2.gz IWEKUQKGOPNBNA-VXGBXAGGSA-N 1 1 316.402 -2.186 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1 ZINC001426057665 927518644 /nfs/dbraw/zinc/51/86/44/927518644.db2.gz UKDZALMPGGTJBV-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001426061492 927519811 /nfs/dbraw/zinc/51/98/11/927519811.db2.gz NYBSMSHGSVHNGG-ONGXEEELSA-N 1 1 324.385 -1.745 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)=O ZINC001426064017 927519925 /nfs/dbraw/zinc/51/99/25/927519925.db2.gz OFGHLCIIZVVXPF-ONGXEEELSA-N 1 1 302.375 -1.008 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)=O ZINC001426064011 927520224 /nfs/dbraw/zinc/52/02/24/927520224.db2.gz OFGHLCIIZVVXPF-GXSJLCMTSA-N 1 1 302.375 -1.008 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001426064366 927520689 /nfs/dbraw/zinc/52/06/89/927520689.db2.gz VJAFPIDKWOVFCC-GHMZBOCLSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426064366 927520693 /nfs/dbraw/zinc/52/06/93/927520693.db2.gz VJAFPIDKWOVFCC-GHMZBOCLSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426064366 927520695 /nfs/dbraw/zinc/52/06/95/927520695.db2.gz VJAFPIDKWOVFCC-GHMZBOCLSA-N 1 1 300.359 -1.218 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063739 927520819 /nfs/dbraw/zinc/52/08/19/927520819.db2.gz DSVHWWNKMFRFRR-ZYHUDNBSSA-N 1 1 322.427 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063739 927520825 /nfs/dbraw/zinc/52/08/25/927520825.db2.gz DSVHWWNKMFRFRR-ZYHUDNBSSA-N 1 1 322.427 -1.447 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001426062374 927520843 /nfs/dbraw/zinc/52/08/43/927520843.db2.gz QIOCPVKUMRBBTP-VIFPVBQESA-N 1 1 304.347 -2.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001426062374 927520846 /nfs/dbraw/zinc/52/08/46/927520846.db2.gz QIOCPVKUMRBBTP-VIFPVBQESA-N 1 1 304.347 -2.161 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001426061888 927521042 /nfs/dbraw/zinc/52/10/42/927521042.db2.gz PMRIYGDIUZWUBP-VXGBXAGGSA-N 1 1 314.386 -1.896 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063732 927521491 /nfs/dbraw/zinc/52/14/91/927521491.db2.gz DSVHWWNKMFRFRR-JQWIXIFHSA-N 1 1 322.427 -1.447 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063732 927521499 /nfs/dbraw/zinc/52/14/99/927521499.db2.gz DSVHWWNKMFRFRR-JQWIXIFHSA-N 1 1 322.427 -1.447 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)[nH]n1 ZINC001426063601 927521669 /nfs/dbraw/zinc/52/16/69/927521669.db2.gz STZDBLDRVJNUBG-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001426063601 927521673 /nfs/dbraw/zinc/52/16/73/927521673.db2.gz STZDBLDRVJNUBG-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001426063601 927521685 /nfs/dbraw/zinc/52/16/85/927521685.db2.gz STZDBLDRVJNUBG-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001426062567 927522102 /nfs/dbraw/zinc/52/21/02/927522102.db2.gz ANPLUAXNFGSUIO-GFCCVEGCSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001426070188 927523849 /nfs/dbraw/zinc/52/38/49/927523849.db2.gz HUOJLVVFKXPIKY-NEPJUHHUSA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001426070346 927524342 /nfs/dbraw/zinc/52/43/42/927524342.db2.gz WTQRJKOBFIWBHD-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001426070346 927524352 /nfs/dbraw/zinc/52/43/52/927524352.db2.gz WTQRJKOBFIWBHD-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001426072740 927524857 /nfs/dbraw/zinc/52/48/57/927524857.db2.gz FHYXHIHGBBHBNA-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001426072740 927524869 /nfs/dbraw/zinc/52/48/69/927524869.db2.gz FHYXHIHGBBHBNA-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001426070339 927525277 /nfs/dbraw/zinc/52/52/77/927525277.db2.gz WTQRJKOBFIWBHD-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001426070339 927525287 /nfs/dbraw/zinc/52/52/87/927525287.db2.gz WTQRJKOBFIWBHD-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)co1 ZINC001426075112 927525308 /nfs/dbraw/zinc/52/53/08/927525308.db2.gz DXBKKPIKJOIDSM-QMMMGPOBSA-N 1 1 300.315 -1.467 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)co1 ZINC001426075112 927525325 /nfs/dbraw/zinc/52/53/25/927525325.db2.gz DXBKKPIKJOIDSM-QMMMGPOBSA-N 1 1 300.315 -1.467 20 0 DAADMO CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001426071279 927525418 /nfs/dbraw/zinc/52/54/18/927525418.db2.gz OFPJMIAIZGTCRH-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426076650 927525527 /nfs/dbraw/zinc/52/55/27/927525527.db2.gz AJQSSZUTYQIBRX-NEPJUHHUSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426076650 927525541 /nfs/dbraw/zinc/52/55/41/927525541.db2.gz AJQSSZUTYQIBRX-NEPJUHHUSA-N 1 1 324.385 -1.647 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001426077463 927525736 /nfs/dbraw/zinc/52/57/36/927525736.db2.gz BLZFDODQZQPZAX-VHSXEESVSA-N 1 1 302.375 -2.005 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001426077463 927525751 /nfs/dbraw/zinc/52/57/51/927525751.db2.gz BLZFDODQZQPZAX-VHSXEESVSA-N 1 1 302.375 -2.005 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001426068965 927526292 /nfs/dbraw/zinc/52/62/92/927526292.db2.gz XJFMZGHRZWZKFM-QMMMGPOBSA-N 1 1 306.338 -1.320 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001426068965 927526303 /nfs/dbraw/zinc/52/63/03/927526303.db2.gz XJFMZGHRZWZKFM-QMMMGPOBSA-N 1 1 306.338 -1.320 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cnccn1 ZINC001426089825 927527137 /nfs/dbraw/zinc/52/71/37/927527137.db2.gz FRZXBZWFZKLLOF-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cnccn1 ZINC001426089825 927527146 /nfs/dbraw/zinc/52/71/46/927527146.db2.gz FRZXBZWFZKLLOF-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001426090680 927527542 /nfs/dbraw/zinc/52/75/42/927527542.db2.gz GMFLXSZLHHFGNZ-VHSXEESVSA-N 1 1 301.347 -1.823 20 0 DAADMO Cc1cc(C)n(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001426089421 927527696 /nfs/dbraw/zinc/52/76/96/927527696.db2.gz DFNDPACVGHSMEX-GFCCVEGCSA-N 1 1 311.386 -1.264 20 0 DAADMO Cc1cc(C)n(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001426089421 927527703 /nfs/dbraw/zinc/52/77/03/927527703.db2.gz DFNDPACVGHSMEX-GFCCVEGCSA-N 1 1 311.386 -1.264 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001426080302 927527843 /nfs/dbraw/zinc/52/78/43/927527843.db2.gz KHUXARFXCQLOHU-VXGBXAGGSA-N 1 1 316.402 -1.156 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001426079265 927528035 /nfs/dbraw/zinc/52/80/35/927528035.db2.gz JVGULWXHUPBTSZ-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001426089263 927529026 /nfs/dbraw/zinc/52/90/26/927529026.db2.gz RYRONRSWJPQICV-NSHDSACASA-N 1 1 316.402 -1.602 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001426089263 927529028 /nfs/dbraw/zinc/52/90/28/927529028.db2.gz RYRONRSWJPQICV-NSHDSACASA-N 1 1 316.402 -1.602 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426080296 927529044 /nfs/dbraw/zinc/52/90/44/927529044.db2.gz KHUXARFXCQLOHU-NEPJUHHUSA-N 1 1 316.402 -1.156 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001426080298 927529419 /nfs/dbraw/zinc/52/94/19/927529419.db2.gz KHUXARFXCQLOHU-NWDGAFQWSA-N 1 1 316.402 -1.156 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001426098219 927530733 /nfs/dbraw/zinc/53/07/33/927530733.db2.gz QELOBQXKPRTUFP-GHMZBOCLSA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001426098219 927530738 /nfs/dbraw/zinc/53/07/38/927530738.db2.gz QELOBQXKPRTUFP-GHMZBOCLSA-N 1 1 308.400 -1.836 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001426094314 927530950 /nfs/dbraw/zinc/53/09/50/927530950.db2.gz BLEGWCMRXCXPCP-DTWKUNHWSA-N 1 1 324.403 -2.840 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001426094314 927530958 /nfs/dbraw/zinc/53/09/58/927530958.db2.gz BLEGWCMRXCXPCP-DTWKUNHWSA-N 1 1 324.403 -2.840 20 0 DAADMO CCCN1C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC1=O ZINC001426100355 927531219 /nfs/dbraw/zinc/53/12/19/927531219.db2.gz LKKQMFSBCSLFBE-CHWSQXEVSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C)c1ccnc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001426093095 927531540 /nfs/dbraw/zinc/53/15/40/927531540.db2.gz YCZYKIITPLVUOG-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ccnc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001426093095 927531549 /nfs/dbraw/zinc/53/15/49/927531549.db2.gz YCZYKIITPLVUOG-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(=O)n(C)n1 ZINC001426105871 927532017 /nfs/dbraw/zinc/53/20/17/927532017.db2.gz XITMVRXJZOFJJT-LLVKDONJSA-N 1 1 312.370 -1.473 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)C[C@H](C)O ZINC001426170384 927533523 /nfs/dbraw/zinc/53/35/23/927533523.db2.gz VVQBYEKXVROJAA-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001426350150 927538879 /nfs/dbraw/zinc/53/88/79/927538879.db2.gz PCDNKBBUYKWIIO-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001426537695 927552684 /nfs/dbraw/zinc/55/26/84/927552684.db2.gz QEUSUJSDBXIXPK-VXGBXAGGSA-N 1 1 323.397 -1.020 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001426540544 927554905 /nfs/dbraw/zinc/55/49/05/927554905.db2.gz KVTISGTWHQANEL-NXEZZACHSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001426540544 927554910 /nfs/dbraw/zinc/55/49/10/927554910.db2.gz KVTISGTWHQANEL-NXEZZACHSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001426540544 927554912 /nfs/dbraw/zinc/55/49/12/927554912.db2.gz KVTISGTWHQANEL-NXEZZACHSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001426540544 927554914 /nfs/dbraw/zinc/55/49/14/927554914.db2.gz KVTISGTWHQANEL-NXEZZACHSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001426540544 927554919 /nfs/dbraw/zinc/55/49/19/927554919.db2.gz KVTISGTWHQANEL-NXEZZACHSA-N 1 1 324.385 -1.164 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001426644996 927564425 /nfs/dbraw/zinc/56/44/25/927564425.db2.gz FYTZWVMHHSREBQ-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001426649522 927565410 /nfs/dbraw/zinc/56/54/10/927565410.db2.gz AYOBMBBOVZPDJX-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O)C1CCC1 ZINC001426665429 927568431 /nfs/dbraw/zinc/56/84/31/927568431.db2.gz NOACUEPTQNWZJY-NEPJUHHUSA-N 1 1 323.353 -1.145 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001426674959 927571120 /nfs/dbraw/zinc/57/11/20/927571120.db2.gz BQIFMCJNZRKHGW-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001426674959 927571130 /nfs/dbraw/zinc/57/11/30/927571130.db2.gz BQIFMCJNZRKHGW-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001426674578 927571484 /nfs/dbraw/zinc/57/14/84/927571484.db2.gz VDSDPAWPDCFEGE-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001426675419 927571583 /nfs/dbraw/zinc/57/15/83/927571583.db2.gz IHUPFFQEWNWGGR-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001426679046 927573399 /nfs/dbraw/zinc/57/33/99/927573399.db2.gz WYEBLXIMXNKSIZ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001426679046 927573409 /nfs/dbraw/zinc/57/34/09/927573409.db2.gz WYEBLXIMXNKSIZ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001426679046 927573417 /nfs/dbraw/zinc/57/34/17/927573417.db2.gz WYEBLXIMXNKSIZ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cnon2)C1 ZINC001426905226 927588049 /nfs/dbraw/zinc/58/80/49/927588049.db2.gz VRQBIVFBKFBAFD-LLVKDONJSA-N 1 1 323.353 -1.143 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(O)(CO)CC1 ZINC001426907521 927588862 /nfs/dbraw/zinc/58/88/62/927588862.db2.gz KHOVZIRJQKTUJU-GFCCVEGCSA-N 1 1 300.403 -1.239 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001427386012 927607693 /nfs/dbraw/zinc/60/76/93/927607693.db2.gz OZKWMVVCSIEVOA-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1ncnn1 ZINC001427563538 927617924 /nfs/dbraw/zinc/61/79/24/927617924.db2.gz HJVYRDNLEXAUMV-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001427555109 927618667 /nfs/dbraw/zinc/61/86/67/927618667.db2.gz IQZXBXSDLAFYQE-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001427766727 927652233 /nfs/dbraw/zinc/65/22/33/927652233.db2.gz PZDVOACPZIORQA-NWDGAFQWSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773963 927656953 /nfs/dbraw/zinc/65/69/53/927656953.db2.gz FRCYUMYTBDBVGT-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773963 927656961 /nfs/dbraw/zinc/65/69/61/927656961.db2.gz FRCYUMYTBDBVGT-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001427780781 927662017 /nfs/dbraw/zinc/66/20/17/927662017.db2.gz NCJRKHAQYHGOMS-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO CCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001427788370 927665175 /nfs/dbraw/zinc/66/51/75/927665175.db2.gz ZXJFPGMIZXHUPK-PWSUYJOCSA-N 1 1 324.385 -1.401 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cn(C)nn2)C1 ZINC001427795019 927670025 /nfs/dbraw/zinc/67/00/25/927670025.db2.gz DMORSHWJAGAHCW-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cn(C)nn2)C1 ZINC001427795017 927670300 /nfs/dbraw/zinc/67/03/00/927670300.db2.gz DMORSHWJAGAHCW-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cn(C)nn2)C1 ZINC001427795018 927670364 /nfs/dbraw/zinc/67/03/64/927670364.db2.gz DMORSHWJAGAHCW-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001427820530 927679392 /nfs/dbraw/zinc/67/93/92/927679392.db2.gz DIFJPYQUBLXQDL-RYUDHWBXSA-N 1 1 309.370 -1.572 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cncn2C)CC[N@H+]1C ZINC001427817732 927679684 /nfs/dbraw/zinc/67/96/84/927679684.db2.gz LFZDTHKOZQGWTE-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cncn2C)CC[N@H+]1C ZINC001427817736 927680006 /nfs/dbraw/zinc/68/00/06/927680006.db2.gz LFZDTHKOZQGWTE-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001427823124 927681657 /nfs/dbraw/zinc/68/16/57/927681657.db2.gz ICSDWDFRRWWLML-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001427823151 927681672 /nfs/dbraw/zinc/68/16/72/927681672.db2.gz ICSDWDFRRWWLML-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001427822075 927681787 /nfs/dbraw/zinc/68/17/87/927681787.db2.gz GNVCZMLUCINAKO-ZOWXZIJZSA-N 1 1 313.398 -1.042 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427822870 927682608 /nfs/dbraw/zinc/68/26/08/927682608.db2.gz HCMZUVTZIZDQEX-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ccnnc1 ZINC001427828963 927683856 /nfs/dbraw/zinc/68/38/56/927683856.db2.gz OUTQFCWDCRTKPB-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427827001 927684580 /nfs/dbraw/zinc/68/45/80/927684580.db2.gz NGXVSFPGNHAWJR-ZJUUUORDSA-N 1 1 310.358 -1.728 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001427828820 927684796 /nfs/dbraw/zinc/68/47/96/927684796.db2.gz OLZLKPLWLZIYSA-GHMZBOCLSA-N 1 1 323.353 -1.937 20 0 DAADMO Cn1cncc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427834546 927687452 /nfs/dbraw/zinc/68/74/52/927687452.db2.gz XOUGGEGNYQOPRM-RYUDHWBXSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001427833636 927687911 /nfs/dbraw/zinc/68/79/11/927687911.db2.gz WIXNKVPUXUQIBB-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001427845714 927689624 /nfs/dbraw/zinc/68/96/24/927689624.db2.gz KMNUQVZGDOHHJH-QWRGUYRKSA-N 1 1 323.353 -1.517 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1COCCO1 ZINC001427853593 927691788 /nfs/dbraw/zinc/69/17/88/927691788.db2.gz GFKABUDRNIPMAW-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001427853587 927692482 /nfs/dbraw/zinc/69/24/82/927692482.db2.gz GFKABUDRNIPMAW-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CCC1 ZINC001427875776 927696618 /nfs/dbraw/zinc/69/66/18/927696618.db2.gz UQSJLYVZMJYVPL-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001427876844 927696730 /nfs/dbraw/zinc/69/67/30/927696730.db2.gz VPCIPWIPIAJDMZ-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CC[N@@H+]1C ZINC001427876844 927696739 /nfs/dbraw/zinc/69/67/39/927696739.db2.gz VPCIPWIPIAJDMZ-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CC[N@H+]1C ZINC001427876844 927696742 /nfs/dbraw/zinc/69/67/42/927696742.db2.gz VPCIPWIPIAJDMZ-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001427875862 927697120 /nfs/dbraw/zinc/69/71/20/927697120.db2.gz MTGGMUGWUUCBFH-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001427875863 927697291 /nfs/dbraw/zinc/69/72/91/927697291.db2.gz MTGGMUGWUUCBFH-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001427875929 927697425 /nfs/dbraw/zinc/69/74/25/927697425.db2.gz MUAMVQJRFSQRCF-WDEREUQCSA-N 1 1 323.353 -1.937 20 0 DAADMO CC(F)(F)C(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001427885752 927699852 /nfs/dbraw/zinc/69/98/52/927699852.db2.gz DTPQDHVMGLFLFS-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NC(=O)C(F)F ZINC001427888683 927699870 /nfs/dbraw/zinc/69/98/70/927699870.db2.gz JRLLJXGOLXECGK-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001427894287 927701598 /nfs/dbraw/zinc/70/15/98/927701598.db2.gz PKZPISYFZLXNST-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2csnn2)C1 ZINC001427892149 927701769 /nfs/dbraw/zinc/70/17/69/927701769.db2.gz DVPUJHUSUGAMFQ-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427910621 927703974 /nfs/dbraw/zinc/70/39/74/927703974.db2.gz PTKRUXLCBGXKPU-VXGBXAGGSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1nccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427925322 927708729 /nfs/dbraw/zinc/70/87/29/927708729.db2.gz NJUKDJDOBGBCHE-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001427956088 927720521 /nfs/dbraw/zinc/72/05/21/927720521.db2.gz CMEUFQQORVFSSI-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001427967008 927721998 /nfs/dbraw/zinc/72/19/98/927721998.db2.gz VCVVLWYCLVEANZ-JTQLQIEISA-N 1 1 322.369 -1.964 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001427965632 927722143 /nfs/dbraw/zinc/72/21/43/927722143.db2.gz IZCSBZQUXDOTRY-GXSJLCMTSA-N 1 1 324.385 -1.338 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001427967011 927723212 /nfs/dbraw/zinc/72/32/12/927723212.db2.gz VCVVLWYCLVEANZ-SNVBAGLBSA-N 1 1 322.369 -1.964 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001427967267 927723441 /nfs/dbraw/zinc/72/34/41/927723441.db2.gz DAKBKRZFYAKZEM-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001427974013 927724815 /nfs/dbraw/zinc/72/48/15/927724815.db2.gz OZESPXMGVZMUAG-GFCCVEGCSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@@H]1C ZINC001427994472 927728115 /nfs/dbraw/zinc/72/81/15/927728115.db2.gz GYXFYAOXNMULJX-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001428092737 927734269 /nfs/dbraw/zinc/73/42/69/927734269.db2.gz ZEXMMFBJAVTKLD-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428160264 927742389 /nfs/dbraw/zinc/74/23/89/927742389.db2.gz RKWFNMMNBCXGAU-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cnnn1C ZINC001428179174 927746468 /nfs/dbraw/zinc/74/64/68/927746468.db2.gz KWGVZIYOIVCZJH-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428195584 927752432 /nfs/dbraw/zinc/75/24/32/927752432.db2.gz CPSYKHDEFDGXJX-NWDGAFQWSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221406 927758216 /nfs/dbraw/zinc/75/82/16/927758216.db2.gz UVASOZUOEUXWCJ-QWHCGFSZSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221406 927758222 /nfs/dbraw/zinc/75/82/22/927758222.db2.gz UVASOZUOEUXWCJ-QWHCGFSZSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ccnc1 ZINC001428226603 927759498 /nfs/dbraw/zinc/75/94/98/927759498.db2.gz UMPBIBOFMBEMCD-QWHCGFSZSA-N 1 1 323.397 -1.230 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428265486 927768877 /nfs/dbraw/zinc/76/88/77/927768877.db2.gz ASAIZFKFGNEWJG-NWDGAFQWSA-N 1 1 317.386 -1.759 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428265486 927768889 /nfs/dbraw/zinc/76/88/89/927768889.db2.gz ASAIZFKFGNEWJG-NWDGAFQWSA-N 1 1 317.386 -1.759 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001428311946 927772532 /nfs/dbraw/zinc/77/25/32/927772532.db2.gz ZVFSHRQEUUFGIU-OUAUKWLOSA-N 1 1 311.386 -1.229 20 0 DAADMO COCCN(CCNC(=O)COC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428392747 927776132 /nfs/dbraw/zinc/77/61/32/927776132.db2.gz UFKXNZUNXVXKSK-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCN(CCNC(=O)COC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428392747 927776150 /nfs/dbraw/zinc/77/61/50/927776150.db2.gz UFKXNZUNXVXKSK-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001428396364 927776367 /nfs/dbraw/zinc/77/63/67/927776367.db2.gz IPNQJZFGCVNLEE-JYAVWHMHSA-N 1 1 319.365 -1.099 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428504213 927782447 /nfs/dbraw/zinc/78/24/47/927782447.db2.gz JYDUMCINGFDKPC-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428504213 927782457 /nfs/dbraw/zinc/78/24/57/927782457.db2.gz JYDUMCINGFDKPC-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428552982 927785664 /nfs/dbraw/zinc/78/56/64/927785664.db2.gz XCMXHEJLUJSTRO-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428552982 927785673 /nfs/dbraw/zinc/78/56/73/927785673.db2.gz XCMXHEJLUJSTRO-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428552978 927786065 /nfs/dbraw/zinc/78/60/65/927786065.db2.gz XCMXHEJLUJSTRO-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428552978 927786072 /nfs/dbraw/zinc/78/60/72/927786072.db2.gz XCMXHEJLUJSTRO-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645312 927792705 /nfs/dbraw/zinc/79/27/05/927792705.db2.gz JKEKIYSZVXUNDA-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645312 927792720 /nfs/dbraw/zinc/79/27/20/927792720.db2.gz JKEKIYSZVXUNDA-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645306 927793412 /nfs/dbraw/zinc/79/34/12/927793412.db2.gz JKEKIYSZVXUNDA-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645306 927793420 /nfs/dbraw/zinc/79/34/20/927793420.db2.gz JKEKIYSZVXUNDA-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428657158 927795108 /nfs/dbraw/zinc/79/51/08/927795108.db2.gz APACSHFTYCXFBX-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1 ZINC001428815421 927812322 /nfs/dbraw/zinc/81/23/22/927812322.db2.gz QKGHGJOMLOARHW-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1 ZINC001428815421 927812335 /nfs/dbraw/zinc/81/23/35/927812335.db2.gz QKGHGJOMLOARHW-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001428894688 927820958 /nfs/dbraw/zinc/82/09/58/927820958.db2.gz SPPXBVQWIGBROI-NXEZZACHSA-N 1 1 310.358 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001428894688 927820973 /nfs/dbraw/zinc/82/09/73/927820973.db2.gz SPPXBVQWIGBROI-NXEZZACHSA-N 1 1 310.358 -1.288 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001428931703 927826534 /nfs/dbraw/zinc/82/65/34/927826534.db2.gz PSEPNILDWNEJTE-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1O ZINC001428936334 927828759 /nfs/dbraw/zinc/82/87/59/927828759.db2.gz ILEAUVILDBQRJU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O ZINC001428936334 927828768 /nfs/dbraw/zinc/82/87/68/927828768.db2.gz ILEAUVILDBQRJU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O ZINC001428936334 927828781 /nfs/dbraw/zinc/82/87/81/927828781.db2.gz ILEAUVILDBQRJU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429051946 927837524 /nfs/dbraw/zinc/83/75/24/927837524.db2.gz UMQZUGFKBMRKFC-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001429155987 927841402 /nfs/dbraw/zinc/84/14/02/927841402.db2.gz XIQFVEVMZWYFTE-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429204551 927845016 /nfs/dbraw/zinc/84/50/16/927845016.db2.gz UTEQGXSLSMZXNK-JTQLQIEISA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429204551 927845027 /nfs/dbraw/zinc/84/50/27/927845027.db2.gz UTEQGXSLSMZXNK-JTQLQIEISA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnc[nH]c1=O ZINC001429200325 927845296 /nfs/dbraw/zinc/84/52/96/927845296.db2.gz IISVXJBYCAGGOQ-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnc[nH]c1=O ZINC001429200325 927845314 /nfs/dbraw/zinc/84/53/14/927845314.db2.gz IISVXJBYCAGGOQ-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429204555 927846611 /nfs/dbraw/zinc/84/66/11/927846611.db2.gz UTEQGXSLSMZXNK-SNVBAGLBSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429204555 927846627 /nfs/dbraw/zinc/84/66/27/927846627.db2.gz UTEQGXSLSMZXNK-SNVBAGLBSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(=O)cn1 ZINC001429257432 927850487 /nfs/dbraw/zinc/85/04/87/927850487.db2.gz AQRWYNYBLOXUJV-JTQLQIEISA-N 1 1 307.354 -1.090 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)c(=O)n1C ZINC001429266162 927852772 /nfs/dbraw/zinc/85/27/72/927852772.db2.gz WWLCREZBPPDAPT-NSHDSACASA-N 1 1 323.397 -1.136 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001429284025 927854247 /nfs/dbraw/zinc/85/42/47/927854247.db2.gz UVBZSGXMYXWPRD-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)CNC(N)=O ZINC001429370528 927864232 /nfs/dbraw/zinc/86/42/32/927864232.db2.gz OLZOXSGJHFTRLX-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)CCNC(N)=O)CC1 ZINC001429471585 927873290 /nfs/dbraw/zinc/87/32/90/927873290.db2.gz HZNDUTYARAGKLQ-UHFFFAOYSA-N 1 1 322.369 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001429517858 927879899 /nfs/dbraw/zinc/87/98/99/927879899.db2.gz PLHJTXGWKBIJHY-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001429517858 927879915 /nfs/dbraw/zinc/87/99/15/927879915.db2.gz PLHJTXGWKBIJHY-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC001429562184 927882504 /nfs/dbraw/zinc/88/25/04/927882504.db2.gz WSVZFLOSEKPPJI-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429552728 927884038 /nfs/dbraw/zinc/88/40/38/927884038.db2.gz WFMUPZPJNGJEPQ-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429552728 927884047 /nfs/dbraw/zinc/88/40/47/927884047.db2.gz WFMUPZPJNGJEPQ-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)c1nnn(C)n1 ZINC001429578140 927885764 /nfs/dbraw/zinc/88/57/64/927885764.db2.gz GSUBBSOXTPWHPO-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)Cn1ncnn1 ZINC001429697579 927891862 /nfs/dbraw/zinc/89/18/62/927891862.db2.gz UCFCZFHWKMIWGR-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)Cn1ncnn1 ZINC001429697581 927893767 /nfs/dbraw/zinc/89/37/67/927893767.db2.gz UCFCZFHWKMIWGR-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001429873409 927901629 /nfs/dbraw/zinc/90/16/29/927901629.db2.gz IOPBGQKDFDTQKA-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)C1 ZINC001429971753 927906906 /nfs/dbraw/zinc/90/69/06/927906906.db2.gz XYCAXKKRFLSBGT-VXGBXAGGSA-N 1 1 321.385 -1.364 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001430151270 927915332 /nfs/dbraw/zinc/91/53/32/927915332.db2.gz LOLFBDHTRKWWPY-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO CCC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001430164458 927918214 /nfs/dbraw/zinc/91/82/14/927918214.db2.gz YXZRZQCAZWIHJV-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CCC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001430164458 927918222 /nfs/dbraw/zinc/91/82/22/927918222.db2.gz YXZRZQCAZWIHJV-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001430240971 927929292 /nfs/dbraw/zinc/92/92/92/927929292.db2.gz OLVPFNOKEPFJJR-AOOOYVTPSA-N 1 1 309.374 -1.071 20 0 DAADMO NC(=O)NCC(=O)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001430270818 927931266 /nfs/dbraw/zinc/93/12/66/927931266.db2.gz LTBIFJMDKHBRCG-AWEZNQCLSA-N 1 1 309.370 -1.532 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001430264183 927931751 /nfs/dbraw/zinc/93/17/51/927931751.db2.gz SGGSFFUTNSGGFH-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001430264183 927931757 /nfs/dbraw/zinc/93/17/57/927931757.db2.gz SGGSFFUTNSGGFH-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001430270342 927932383 /nfs/dbraw/zinc/93/23/83/927932383.db2.gz JHIZPOXVZDWHSR-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001430318799 927937444 /nfs/dbraw/zinc/93/74/44/927937444.db2.gz FKESDGVLNYXUAW-CIQGVGRVSA-N 1 1 308.382 -1.353 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CN2CCOCC2)C1 ZINC001430352841 927939802 /nfs/dbraw/zinc/93/98/02/927939802.db2.gz HKTPAMVAUPKTFF-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CCNC(N)=O)C1 ZINC001430345027 927940213 /nfs/dbraw/zinc/94/02/13/927940213.db2.gz PCBZHKJHHUXDJF-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001430376236 927944140 /nfs/dbraw/zinc/94/41/40/927944140.db2.gz DSJWSGWRYGUEHR-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC001430389348 927946035 /nfs/dbraw/zinc/94/60/35/927946035.db2.gz NNJFQQWQPCYXEA-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CCNC(N)=O)C1 ZINC001430416336 927949209 /nfs/dbraw/zinc/94/92/09/927949209.db2.gz FGKGATZWZBYRSI-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001430416411 927949694 /nfs/dbraw/zinc/94/96/94/927949694.db2.gz GCTSXTPCLRKVBI-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001430481154 927955311 /nfs/dbraw/zinc/95/53/11/927955311.db2.gz IYGSTMKEVYUSMJ-ZJUUUORDSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001430481154 927955319 /nfs/dbraw/zinc/95/53/19/927955319.db2.gz IYGSTMKEVYUSMJ-ZJUUUORDSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481622 927955815 /nfs/dbraw/zinc/95/58/15/927955815.db2.gz KKXZIXOIBAOIJM-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481622 927955824 /nfs/dbraw/zinc/95/58/24/927955824.db2.gz KKXZIXOIBAOIJM-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430478353 927956232 /nfs/dbraw/zinc/95/62/32/927956232.db2.gz AVPDGWFESOZPMA-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430478353 927956245 /nfs/dbraw/zinc/95/62/45/927956245.db2.gz AVPDGWFESOZPMA-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430479221 927956596 /nfs/dbraw/zinc/95/65/96/927956596.db2.gz WPDKSCDXMRSVGA-BJDJZHNGSA-N 1 1 323.397 -1.193 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486227 927958546 /nfs/dbraw/zinc/95/85/46/927958546.db2.gz VBDNVSOUCVPAJJ-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486227 927958556 /nfs/dbraw/zinc/95/85/56/927958556.db2.gz VBDNVSOUCVPAJJ-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001430817647 927979993 /nfs/dbraw/zinc/97/99/93/927979993.db2.gz MTSXYIBCHWMLRU-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001430859426 927983159 /nfs/dbraw/zinc/98/31/59/927983159.db2.gz LNMIOLXGOUZPSC-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001430981186 927986873 /nfs/dbraw/zinc/98/68/73/927986873.db2.gz CXVMZNYRDLEUSN-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001431029836 927992529 /nfs/dbraw/zinc/99/25/29/927992529.db2.gz JUOASYHOIYGWSA-SNVBAGLBSA-N 1 1 324.385 -1.011 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNC(=O)Cn1ncnn1 ZINC001431035461 927992819 /nfs/dbraw/zinc/99/28/19/927992819.db2.gz NEFFYCAUAMFEAM-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001431130497 927996171 /nfs/dbraw/zinc/99/61/71/927996171.db2.gz GKPUAAAPOOUPGM-SNVBAGLBSA-N 1 1 320.357 -1.150 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CS(C)(=O)=O)C1 ZINC001431154084 927998781 /nfs/dbraw/zinc/99/87/81/927998781.db2.gz ZGOFNSREKBYHLQ-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CS(C)(=O)=O)C1 ZINC001431154084 927998796 /nfs/dbraw/zinc/99/87/96/927998796.db2.gz ZGOFNSREKBYHLQ-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO CN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431136730 927998858 /nfs/dbraw/zinc/99/88/58/927998858.db2.gz HDDVZRAAJYBZMY-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431136730 927998869 /nfs/dbraw/zinc/99/88/69/927998869.db2.gz HDDVZRAAJYBZMY-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431145397 927999483 /nfs/dbraw/zinc/99/94/83/927999483.db2.gz TWHBRSOQJHSUOT-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431145397 927999492 /nfs/dbraw/zinc/99/94/92/927999492.db2.gz TWHBRSOQJHSUOT-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001431187888 928000602 /nfs/dbraw/zinc/00/06/02/928000602.db2.gz RIDFMQGSSOYYIE-VHSXEESVSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001431187888 928000609 /nfs/dbraw/zinc/00/06/09/928000609.db2.gz RIDFMQGSSOYYIE-VHSXEESVSA-N 1 1 314.342 -2.000 20 0 DAADMO Cc1nnc(CC(=O)NCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001431230024 928004617 /nfs/dbraw/zinc/00/46/17/928004617.db2.gz LFYFTBIVUBLTAY-NSHDSACASA-N 1 1 324.385 -1.439 20 0 DAADMO Cc1nnc(CC(=O)NCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001431230024 928004625 /nfs/dbraw/zinc/00/46/25/928004625.db2.gz LFYFTBIVUBLTAY-NSHDSACASA-N 1 1 324.385 -1.439 20 0 DAADMO CN(CCNC(=O)CCNC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431236325 928005518 /nfs/dbraw/zinc/00/55/18/928005518.db2.gz WEVCEBBMOKSTBY-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C1CS(=O)(=O)C1 ZINC001431259610 928007287 /nfs/dbraw/zinc/00/72/87/928007287.db2.gz UFEPWWVYERENFU-SNVBAGLBSA-N 1 1 317.411 -1.443 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431238525 928007379 /nfs/dbraw/zinc/00/73/79/928007379.db2.gz AADLPDBILLBFOH-NEPJUHHUSA-N 1 1 323.401 -1.118 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C1CS(=O)(=O)C1 ZINC001431259609 928007681 /nfs/dbraw/zinc/00/76/81/928007681.db2.gz UFEPWWVYERENFU-JTQLQIEISA-N 1 1 317.411 -1.443 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)Cn1cnnn1 ZINC001431325289 928011159 /nfs/dbraw/zinc/01/11/59/928011159.db2.gz MBFYUFPUROBKBL-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001431390058 928015374 /nfs/dbraw/zinc/01/53/74/928015374.db2.gz ZLDMYGRGMDQFGY-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001431433808 928019863 /nfs/dbraw/zinc/01/98/63/928019863.db2.gz OUGIOIQJIBENNO-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)c2nnn(C)n2)CC[N@H+]1C ZINC001431435867 928020921 /nfs/dbraw/zinc/02/09/21/928020921.db2.gz RJIOKXUSXIBUOG-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CN(CCNC(=O)c1ccncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431460380 928023789 /nfs/dbraw/zinc/02/37/89/928023789.db2.gz UMTIMUABDFDFLA-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1ccncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431460380 928023798 /nfs/dbraw/zinc/02/37/98/928023798.db2.gz UMTIMUABDFDFLA-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431478001 928029670 /nfs/dbraw/zinc/02/96/70/928029670.db2.gz BDFJJYYRFKSSLR-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431478001 928029684 /nfs/dbraw/zinc/02/96/84/928029684.db2.gz BDFJJYYRFKSSLR-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001431485453 928033018 /nfs/dbraw/zinc/03/30/18/928033018.db2.gz UKELSYRXMWKUGY-CMPLNLGQSA-N 1 1 316.402 -1.556 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001431486243 928033228 /nfs/dbraw/zinc/03/32/28/928033228.db2.gz HYHNCMKHMAZDCB-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001431487095 928033693 /nfs/dbraw/zinc/03/36/93/928033693.db2.gz CTHOKVHWOCJXLW-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnsn1 ZINC001431487528 928034051 /nfs/dbraw/zinc/03/40/51/928034051.db2.gz DNJNQYIGKMJOQE-SCZZXKLOSA-N 1 1 313.383 -1.161 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001431489225 928035050 /nfs/dbraw/zinc/03/50/50/928035050.db2.gz CPHQEIMWRZWZDL-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001431494078 928036127 /nfs/dbraw/zinc/03/61/27/928036127.db2.gz CTUFXRZKQSJVPJ-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506706 928043244 /nfs/dbraw/zinc/04/32/44/928043244.db2.gz LNDHARJRINSKII-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506706 928043256 /nfs/dbraw/zinc/04/32/56/928043256.db2.gz LNDHARJRINSKII-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001431505354 928043628 /nfs/dbraw/zinc/04/36/28/928043628.db2.gz RVTMNVRJFSGKTD-QWRGUYRKSA-N 1 1 301.387 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506701 928044051 /nfs/dbraw/zinc/04/40/51/928044051.db2.gz LNDHARJRINSKII-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506701 928044062 /nfs/dbraw/zinc/04/40/62/928044062.db2.gz LNDHARJRINSKII-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001431505338 928044632 /nfs/dbraw/zinc/04/46/32/928044632.db2.gz RVTMNVRJFSGKTD-GHMZBOCLSA-N 1 1 301.387 -1.165 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001431513874 928046756 /nfs/dbraw/zinc/04/67/56/928046756.db2.gz PBTRFZLYLGDVQT-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001431526939 928048523 /nfs/dbraw/zinc/04/85/23/928048523.db2.gz BNKRXEAYRMCYCF-DGCLKSJQSA-N 1 1 303.403 -1.063 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001431527693 928050158 /nfs/dbraw/zinc/05/01/58/928050158.db2.gz DOAVVAWCJCKQDX-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001431529202 928050419 /nfs/dbraw/zinc/05/04/19/928050419.db2.gz IZSNBODGSJCTAW-LLVKDONJSA-N 1 1 312.370 -1.054 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001431531527 928051511 /nfs/dbraw/zinc/05/15/11/928051511.db2.gz RGEHKHKRIGHXKH-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001431534266 928051670 /nfs/dbraw/zinc/05/16/70/928051670.db2.gz CQDGGJONTQAJPM-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534266 928051685 /nfs/dbraw/zinc/05/16/85/928051685.db2.gz CQDGGJONTQAJPM-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534266 928051696 /nfs/dbraw/zinc/05/16/96/928051696.db2.gz CQDGGJONTQAJPM-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534266 928051712 /nfs/dbraw/zinc/05/17/12/928051712.db2.gz CQDGGJONTQAJPM-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534266 928051722 /nfs/dbraw/zinc/05/17/22/928051722.db2.gz CQDGGJONTQAJPM-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001431540873 928056682 /nfs/dbraw/zinc/05/66/82/928056682.db2.gz HSDVRDVYMQNAHF-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540873 928056698 /nfs/dbraw/zinc/05/66/98/928056698.db2.gz HSDVRDVYMQNAHF-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540873 928056710 /nfs/dbraw/zinc/05/67/10/928056710.db2.gz HSDVRDVYMQNAHF-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)c2nnn(C)n2)C1 ZINC001431541495 928057134 /nfs/dbraw/zinc/05/71/34/928057134.db2.gz YSGXUIHRJBTJIV-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001431540877 928057462 /nfs/dbraw/zinc/05/74/62/928057462.db2.gz HSDVRDVYMQNAHF-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540877 928057478 /nfs/dbraw/zinc/05/74/78/928057478.db2.gz HSDVRDVYMQNAHF-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540877 928057492 /nfs/dbraw/zinc/05/74/92/928057492.db2.gz HSDVRDVYMQNAHF-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001431542354 928057906 /nfs/dbraw/zinc/05/79/06/928057906.db2.gz SIMDJXFEWIKLSH-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001431542354 928057918 /nfs/dbraw/zinc/05/79/18/928057918.db2.gz SIMDJXFEWIKLSH-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001431542865 928058076 /nfs/dbraw/zinc/05/80/76/928058076.db2.gz KLUULNBCPMYJIA-SNVBAGLBSA-N 1 1 322.325 -1.210 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001431542359 928058593 /nfs/dbraw/zinc/05/85/93/928058593.db2.gz SIMDJXFEWIKLSH-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001431542359 928058605 /nfs/dbraw/zinc/05/86/05/928058605.db2.gz SIMDJXFEWIKLSH-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cncn2C)CC[N@H+]1C ZINC001431549413 928059884 /nfs/dbraw/zinc/05/98/84/928059884.db2.gz RJIHQLVWDXZROT-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cn[nH]n2)C1 ZINC001431558503 928062145 /nfs/dbraw/zinc/06/21/45/928062145.db2.gz VPRNMYNZNBJPHF-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558503 928062157 /nfs/dbraw/zinc/06/21/57/928062157.db2.gz VPRNMYNZNBJPHF-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558503 928062172 /nfs/dbraw/zinc/06/21/72/928062172.db2.gz VPRNMYNZNBJPHF-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558503 928062186 /nfs/dbraw/zinc/06/21/86/928062186.db2.gz VPRNMYNZNBJPHF-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558503 928062201 /nfs/dbraw/zinc/06/22/01/928062201.db2.gz VPRNMYNZNBJPHF-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2cn[nH]n2)C1 ZINC001431558505 928062425 /nfs/dbraw/zinc/06/24/25/928062425.db2.gz VPRNMYNZNBJPHF-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558505 928062441 /nfs/dbraw/zinc/06/24/41/928062441.db2.gz VPRNMYNZNBJPHF-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558505 928062454 /nfs/dbraw/zinc/06/24/54/928062454.db2.gz VPRNMYNZNBJPHF-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558505 928062468 /nfs/dbraw/zinc/06/24/68/928062468.db2.gz VPRNMYNZNBJPHF-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558505 928062482 /nfs/dbraw/zinc/06/24/82/928062482.db2.gz VPRNMYNZNBJPHF-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001431555353 928062910 /nfs/dbraw/zinc/06/29/10/928062910.db2.gz XGCQBBOZPUVIMN-MNOVXSKESA-N 1 1 324.385 -1.543 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001431565824 928065421 /nfs/dbraw/zinc/06/54/21/928065421.db2.gz JEJAFFZKTPIHGJ-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431569354 928068144 /nfs/dbraw/zinc/06/81/44/928068144.db2.gz KSNAFEXFEMSNER-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001431569756 928068219 /nfs/dbraw/zinc/06/82/19/928068219.db2.gz QCSJAYKKZOMFIO-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001431622913 928072912 /nfs/dbraw/zinc/07/29/12/928072912.db2.gz JJTKFZONPYCCMQ-LLVKDONJSA-N 1 1 324.385 -1.100 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431645464 928075523 /nfs/dbraw/zinc/07/55/23/928075523.db2.gz KDSWZKUFRCGLRI-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431645466 928075579 /nfs/dbraw/zinc/07/55/79/928075579.db2.gz KDSWZKUFRCGLRI-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CCN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431684741 928078030 /nfs/dbraw/zinc/07/80/30/928078030.db2.gz SAWNFONKJDITTB-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001431705929 928080657 /nfs/dbraw/zinc/08/06/57/928080657.db2.gz FSKQDSMAMYFKFI-RISCZKNCSA-N 1 1 321.385 -1.220 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431783524 928084998 /nfs/dbraw/zinc/08/49/98/928084998.db2.gz KPGYFQAAUBSQDB-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431783524 928085010 /nfs/dbraw/zinc/08/50/10/928085010.db2.gz KPGYFQAAUBSQDB-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431820628 928087719 /nfs/dbraw/zinc/08/77/19/928087719.db2.gz YOOBLMCDBKFFAI-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001431875410 928091524 /nfs/dbraw/zinc/09/15/24/928091524.db2.gz FSKQDSMAMYFKFI-FZMZJTMJSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC001432057801 928102613 /nfs/dbraw/zinc/10/26/13/928102613.db2.gz GHUGPSUZXVEQJQ-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)CCNC(N)=O)CC2)C1 ZINC001432174265 928109744 /nfs/dbraw/zinc/10/97/44/928109744.db2.gz JIPUQECJOBUBNH-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)CCn3cnnn3)CC2)C1 ZINC001432190202 928110947 /nfs/dbraw/zinc/11/09/47/928110947.db2.gz RZNIKBHZFRPJSJ-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001432221325 928117175 /nfs/dbraw/zinc/11/71/75/928117175.db2.gz RDLRZZDKZYVIOS-VIFPVBQESA-N 1 1 308.342 -1.425 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001432233523 928119189 /nfs/dbraw/zinc/11/91/89/928119189.db2.gz NAYKAGMOAWHNSI-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CNC(=O)NC)C1 ZINC001432253590 928122268 /nfs/dbraw/zinc/12/22/68/928122268.db2.gz MOXSPODCWBNJEE-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO NC(=O)NCC(=O)NC1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001432259938 928124039 /nfs/dbraw/zinc/12/40/39/928124039.db2.gz JBSBGXSSFLPKHD-AWEZNQCLSA-N 1 1 323.397 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001432300973 928128550 /nfs/dbraw/zinc/12/85/50/928128550.db2.gz VNPMFIZORYUWOH-VHSXEESVSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001432313072 928130849 /nfs/dbraw/zinc/13/08/49/928130849.db2.gz GPUNTGUFRPVJPL-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432372147 928140439 /nfs/dbraw/zinc/14/04/39/928140439.db2.gz GKLVYIYPXZCSHM-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432372147 928140451 /nfs/dbraw/zinc/14/04/51/928140451.db2.gz GKLVYIYPXZCSHM-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC001432428396 928146971 /nfs/dbraw/zinc/14/69/71/928146971.db2.gz OWQJBIWIYHYDMF-UHFFFAOYSA-N 1 1 324.385 -1.005 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001432471819 928151536 /nfs/dbraw/zinc/15/15/36/928151536.db2.gz IOLWFMRBRUKBEN-NSHDSACASA-N 1 1 311.386 -1.417 20 0 DAADMO C[N@@H+](CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001432472786 928151595 /nfs/dbraw/zinc/15/15/95/928151595.db2.gz RTDQEGPAEGIUSP-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(=O)NC ZINC001432690702 928162634 /nfs/dbraw/zinc/16/26/34/928162634.db2.gz GFRSEBAJVAWWKE-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432775070 928164416 /nfs/dbraw/zinc/16/44/16/928164416.db2.gz DVSRKZCPRMOPPM-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001432788251 928167194 /nfs/dbraw/zinc/16/71/94/928167194.db2.gz WVIVECTUTPUJOH-CQSZACIVSA-N 1 1 310.354 -1.082 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001432928822 928170252 /nfs/dbraw/zinc/17/02/52/928170252.db2.gz KUBRBLLUDUOCFJ-PWSUYJOCSA-N 1 1 314.386 -1.678 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001432928822 928170257 /nfs/dbraw/zinc/17/02/57/928170257.db2.gz KUBRBLLUDUOCFJ-PWSUYJOCSA-N 1 1 314.386 -1.678 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432958549 928172937 /nfs/dbraw/zinc/17/29/37/928172937.db2.gz UYMAMPVNNTZRHW-QWRGUYRKSA-N 1 1 319.427 -1.149 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001433172099 928181908 /nfs/dbraw/zinc/18/19/08/928181908.db2.gz JDAOPZGPBCTSEQ-TUAOUCFPSA-N 1 1 310.398 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230649 928184956 /nfs/dbraw/zinc/18/49/56/928184956.db2.gz CCPAXGYLVCJNET-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230649 928184965 /nfs/dbraw/zinc/18/49/65/928184965.db2.gz CCPAXGYLVCJNET-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001433237979 928190959 /nfs/dbraw/zinc/19/09/59/928190959.db2.gz IYXILSCPYQNONU-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001433258093 928198660 /nfs/dbraw/zinc/19/86/60/928198660.db2.gz DFELQEZALZSXCZ-MNOVXSKESA-N 1 1 309.370 -1.279 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001433257241 928198820 /nfs/dbraw/zinc/19/88/20/928198820.db2.gz OWLFPVSUZPTLOY-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001433259407 928198995 /nfs/dbraw/zinc/19/89/95/928198995.db2.gz SHMUSNXNHXSODO-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001433259411 928199143 /nfs/dbraw/zinc/19/91/43/928199143.db2.gz SHMUSNXNHXSODO-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001433260192 928201342 /nfs/dbraw/zinc/20/13/42/928201342.db2.gz RPCSWSLMEGCTAY-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001433260192 928201355 /nfs/dbraw/zinc/20/13/55/928201355.db2.gz RPCSWSLMEGCTAY-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001433260030 928201574 /nfs/dbraw/zinc/20/15/74/928201574.db2.gz GGEGPQUKKAEKHE-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001433271432 928202777 /nfs/dbraw/zinc/20/27/77/928202777.db2.gz PCSFSFURNJJJEQ-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001433275081 928204109 /nfs/dbraw/zinc/20/41/09/928204109.db2.gz CSPZRVLKRXJQLW-IJLUTSLNSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnnn1C ZINC001433278726 928205948 /nfs/dbraw/zinc/20/59/48/928205948.db2.gz JJIHBBBLORHCDW-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433285362 928207496 /nfs/dbraw/zinc/20/74/96/928207496.db2.gz KOQLUGZLYHYZLK-AAEUAGOBSA-N 1 1 323.397 -1.492 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433285366 928207711 /nfs/dbraw/zinc/20/77/11/928207711.db2.gz KOQLUGZLYHYZLK-WCQYABFASA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC001433292084 928209135 /nfs/dbraw/zinc/20/91/35/928209135.db2.gz DBIUCNJUKLULFB-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC001433292062 928209187 /nfs/dbraw/zinc/20/91/87/928209187.db2.gz DBIUCNJUKLULFB-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001433288734 928209932 /nfs/dbraw/zinc/20/99/32/928209932.db2.gz SITKTQPFVXKTJS-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291162 928210700 /nfs/dbraw/zinc/21/07/00/928210700.db2.gz DMRGHTFSKYTWCC-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291162 928210712 /nfs/dbraw/zinc/21/07/12/928210712.db2.gz DMRGHTFSKYTWCC-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001433299242 928211827 /nfs/dbraw/zinc/21/18/27/928211827.db2.gz DJHUWOKQOCBXLC-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001433294806 928212470 /nfs/dbraw/zinc/21/24/70/928212470.db2.gz COKBTBYPHALYLQ-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001433294806 928212481 /nfs/dbraw/zinc/21/24/81/928212481.db2.gz COKBTBYPHALYLQ-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001433299641 928213023 /nfs/dbraw/zinc/21/30/23/928213023.db2.gz WPMTWWCODMYYPM-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001433299641 928213033 /nfs/dbraw/zinc/21/30/33/928213033.db2.gz WPMTWWCODMYYPM-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001433299641 928213042 /nfs/dbraw/zinc/21/30/42/928213042.db2.gz WPMTWWCODMYYPM-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001433299641 928213052 /nfs/dbraw/zinc/21/30/52/928213052.db2.gz WPMTWWCODMYYPM-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001433299641 928213060 /nfs/dbraw/zinc/21/30/60/928213060.db2.gz WPMTWWCODMYYPM-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001433309968 928214535 /nfs/dbraw/zinc/21/45/35/928214535.db2.gz IDNNKQNWLBSBAG-LBELIVKGSA-N 1 1 311.382 -1.434 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001433328893 928219363 /nfs/dbraw/zinc/21/93/63/928219363.db2.gz WOULTVYYEGVMIC-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001433328900 928219854 /nfs/dbraw/zinc/21/98/54/928219854.db2.gz WOULTVYYEGVMIC-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433377971 928224259 /nfs/dbraw/zinc/22/42/59/928224259.db2.gz QSYCTXVZVJVJEP-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433377971 928224272 /nfs/dbraw/zinc/22/42/72/928224272.db2.gz QSYCTXVZVJVJEP-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001433618446 928247677 /nfs/dbraw/zinc/24/76/77/928247677.db2.gz BPACWEGMDNDPHE-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)[N@@H+](C)C1CC1 ZINC001433655610 928249902 /nfs/dbraw/zinc/24/99/02/928249902.db2.gz DRKQCDNDTJLWJA-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001433735336 928260336 /nfs/dbraw/zinc/26/03/36/928260336.db2.gz WZPXUQXTKCMARZ-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001433765161 928261887 /nfs/dbraw/zinc/26/18/87/928261887.db2.gz FGGIXDBBWVRMIN-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001433803182 928264650 /nfs/dbraw/zinc/26/46/50/928264650.db2.gz DXOCRZHRNUGRGB-GARJFASQSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001433803178 928264745 /nfs/dbraw/zinc/26/47/45/928264745.db2.gz DXOCRZHRNUGRGB-DCAQKATOSA-N 1 1 321.385 -1.081 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001433783734 928265724 /nfs/dbraw/zinc/26/57/24/928265724.db2.gz UBBUUPADCSDDOI-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)Cn3cnnn3)CC2)C1 ZINC001433837103 928270556 /nfs/dbraw/zinc/27/05/56/928270556.db2.gz XUDTVYBQHYZJIN-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001433890782 928274911 /nfs/dbraw/zinc/27/49/11/928274911.db2.gz LYQNNMLRLPSEIZ-NOZJJQNGSA-N 1 1 324.341 -1.817 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001433900119 928278188 /nfs/dbraw/zinc/27/81/88/928278188.db2.gz YIMLTKVCLCYKCV-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)CC[N@@H+]1CCO ZINC001433927923 928283171 /nfs/dbraw/zinc/28/31/71/928283171.db2.gz CEINGCZOMXPFSL-AAEUAGOBSA-N 1 1 312.370 -1.625 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)CC[N@H+]1CCO ZINC001433927923 928283176 /nfs/dbraw/zinc/28/31/76/928283176.db2.gz CEINGCZOMXPFSL-AAEUAGOBSA-N 1 1 312.370 -1.625 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](O)C(N)=O)cn1 ZINC001433958916 928284421 /nfs/dbraw/zinc/28/44/21/928284421.db2.gz RUVFSWLISLATSW-QJPTWQEYSA-N 1 1 309.370 -1.582 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001433951585 928285116 /nfs/dbraw/zinc/28/51/16/928285116.db2.gz FDEIQHHNKCYPCD-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO O=C(CCn1cnnn1)NCC1(NC(=O)Cc2cnc[nH]2)CC1 ZINC001433972809 928287525 /nfs/dbraw/zinc/28/75/25/928287525.db2.gz GOOYDKXMXAQXQO-UHFFFAOYSA-N 1 1 318.341 -1.206 20 0 DAADMO CN1C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001433960074 928288173 /nfs/dbraw/zinc/28/81/73/928288173.db2.gz QETLABGCEZRDFP-GHMZBOCLSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)[N@@H+]1CCO ZINC001433993989 928291643 /nfs/dbraw/zinc/29/16/43/928291643.db2.gz QGINRWBLCNKIRM-PHIMTYICSA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001434005096 928293592 /nfs/dbraw/zinc/29/35/92/928293592.db2.gz NTJXAWULSHXSBY-AXFHLTTASA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC001434065800 928298472 /nfs/dbraw/zinc/29/84/72/928298472.db2.gz HOXMHZYAOBAMHP-UHFFFAOYSA-N 1 1 322.369 -1.060 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001434102494 928304442 /nfs/dbraw/zinc/30/44/42/928304442.db2.gz QJBZFHVQCVHFAS-DCAQKATOSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001434102494 928304460 /nfs/dbraw/zinc/30/44/60/928304460.db2.gz QJBZFHVQCVHFAS-DCAQKATOSA-N 1 1 307.416 -1.162 20 0 DAADMO Cc1nc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1-c1nc[nH]n1 ZINC001434148701 928309860 /nfs/dbraw/zinc/30/98/60/928309860.db2.gz FBNMKHDQJHKTDL-VHSXEESVSA-N 1 1 318.341 -1.415 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001434228074 928317507 /nfs/dbraw/zinc/31/75/07/928317507.db2.gz NOMOOKDSNHZDRU-GFCCVEGCSA-N 1 1 300.359 -1.768 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@@H](CO)C1 ZINC001434230800 928319131 /nfs/dbraw/zinc/31/91/31/928319131.db2.gz XSXXXOQIFXWIPN-WDEREUQCSA-N 1 1 320.415 -1.963 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@@H](CO)C1 ZINC001434230800 928319143 /nfs/dbraw/zinc/31/91/43/928319143.db2.gz XSXXXOQIFXWIPN-WDEREUQCSA-N 1 1 320.415 -1.963 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001434245310 928320169 /nfs/dbraw/zinc/32/01/69/928320169.db2.gz BRNLEUZLMWPUBC-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001434245310 928320176 /nfs/dbraw/zinc/32/01/76/928320176.db2.gz BRNLEUZLMWPUBC-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnc2sccn2c1=O ZINC001434284575 928324335 /nfs/dbraw/zinc/32/43/35/928324335.db2.gz WATNZFRMVVVHJK-ZDUSSCGKSA-N 1 1 324.362 -1.163 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)C(C)C ZINC001434283819 928324401 /nfs/dbraw/zinc/32/44/01/928324401.db2.gz PGIRTDRPKZWALP-JSGCOSHPSA-N 1 1 317.386 -1.759 20 0 DAADMO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)O1 ZINC001434287812 928324434 /nfs/dbraw/zinc/32/44/34/928324434.db2.gz PCUCQMNSPSJQTN-NRUUGDAUSA-N 1 1 302.327 -1.826 20 0 DAADMO NC(=O)COc1ccccc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001434282707 928324853 /nfs/dbraw/zinc/32/48/53/928324853.db2.gz IEOMNZBNPXAKTG-HNNXBMFYSA-N 1 1 323.349 -1.369 20 0 DAADMO NC(=O)COc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001434281760 928325928 /nfs/dbraw/zinc/32/59/28/928325928.db2.gz DXSWPLWQDPSIHM-OAHLLOKOSA-N 1 1 323.349 -1.369 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001434288817 928325950 /nfs/dbraw/zinc/32/59/50/928325950.db2.gz VFUSLQZHYGVSNX-CQSZACIVSA-N 1 1 310.354 -1.568 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001434288814 928326362 /nfs/dbraw/zinc/32/63/62/928326362.db2.gz VFUSLQZHYGVSNX-AWEZNQCLSA-N 1 1 310.354 -1.568 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434346557 928335367 /nfs/dbraw/zinc/33/53/67/928335367.db2.gz WRFXCAYMLXDGEZ-VHSXEESVSA-N 1 1 319.431 -1.937 20 0 DAADMO C[N@H+](CCO)CCNC(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001434365332 928340037 /nfs/dbraw/zinc/34/00/37/928340037.db2.gz ZHYVPIDBBLWOOL-UHFFFAOYSA-N 1 1 308.400 -1.380 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)C1(S(C)(=O)=O)CCOCC1 ZINC001434365332 928340049 /nfs/dbraw/zinc/34/00/49/928340049.db2.gz ZHYVPIDBBLWOOL-UHFFFAOYSA-N 1 1 308.400 -1.380 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cn1 ZINC001434399896 928347828 /nfs/dbraw/zinc/34/78/28/928347828.db2.gz PGWDOFIXAKECPH-UHFFFAOYSA-N 1 1 312.351 -1.458 20 0 DAADMO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001434396894 928347916 /nfs/dbraw/zinc/34/79/16/928347916.db2.gz IZJUVXKSOBTFJR-UHFFFAOYSA-N 1 1 314.367 -1.515 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)nc1=O ZINC001434461503 928353688 /nfs/dbraw/zinc/35/36/88/928353688.db2.gz UZGKULINZXSNIR-UHFFFAOYSA-N 1 1 303.388 -1.036 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@H](O)C3(O)CCOCC3)C[C@H]2N1 ZINC001434471651 928356440 /nfs/dbraw/zinc/35/64/40/928356440.db2.gz APIALQBZLFSRFN-UTUOFQBUSA-N 1 1 300.355 -1.522 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC001434481325 928357689 /nfs/dbraw/zinc/35/76/89/928357689.db2.gz SHSXMVHAYRMHOL-YGRLFVJLSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC001434481325 928357695 /nfs/dbraw/zinc/35/76/95/928357695.db2.gz SHSXMVHAYRMHOL-YGRLFVJLSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001434482958 928358175 /nfs/dbraw/zinc/35/81/75/928358175.db2.gz BSMRAYXBMAGPJG-LLVKDONJSA-N 1 1 321.443 -1.290 20 0 DAADMO C[N@@H+](CCS(N)(=O)=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001434484461 928360449 /nfs/dbraw/zinc/36/04/49/928360449.db2.gz OJVVMUNQAREIOD-SNVBAGLBSA-N 1 1 313.445 -1.122 20 0 DAADMO CCOC(=O)c1nn(C)cc1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434533629 928363840 /nfs/dbraw/zinc/36/38/40/928363840.db2.gz BCRLTHZDUQEUFS-AOOOYVTPSA-N 1 1 323.353 -1.385 20 0 DAADMO CCOC(=O)c1nn(C)cc1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434533629 928363854 /nfs/dbraw/zinc/36/38/54/928363854.db2.gz BCRLTHZDUQEUFS-AOOOYVTPSA-N 1 1 323.353 -1.385 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001434759709 928376177 /nfs/dbraw/zinc/37/61/77/928376177.db2.gz PFDWIZUFBQTSDJ-VXGBXAGGSA-N 1 1 314.386 -1.855 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001434754406 928376302 /nfs/dbraw/zinc/37/63/02/928376302.db2.gz STDQABWBPNNIHM-MRVPVSSYSA-N 1 1 309.330 -1.553 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001434754406 928376315 /nfs/dbraw/zinc/37/63/15/928376315.db2.gz STDQABWBPNNIHM-MRVPVSSYSA-N 1 1 309.330 -1.553 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)N2CC(S(N)(=O)=O)C2)n1C ZINC001434778480 928378080 /nfs/dbraw/zinc/37/80/80/928378080.db2.gz HPOIFODRRZQUGZ-UHFFFAOYSA-N 1 1 316.387 -1.332 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC1CS(=O)(=O)C1 ZINC001434773011 928378855 /nfs/dbraw/zinc/37/88/55/928378855.db2.gz BJQKVEAPSACOAR-GFCCVEGCSA-N 1 1 318.443 -1.034 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1CCOC[C@H]1O ZINC001434832146 928385838 /nfs/dbraw/zinc/38/58/38/928385838.db2.gz CEJLCLURPJKRLV-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1CCOC[C@H]1O ZINC001434832146 928385856 /nfs/dbraw/zinc/38/58/56/928385856.db2.gz CEJLCLURPJKRLV-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001434855778 928389045 /nfs/dbraw/zinc/38/90/45/928389045.db2.gz VXEYHLUTTZJLMK-UONOGXRCSA-N 1 1 324.381 -1.196 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001434846964 928389165 /nfs/dbraw/zinc/38/91/65/928389165.db2.gz YADZNGFLGUYTAM-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001436331565 928393539 /nfs/dbraw/zinc/39/35/39/928393539.db2.gz VOWZNTZDATVTCP-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001436340008 928395424 /nfs/dbraw/zinc/39/54/24/928395424.db2.gz AXWCUXZJEYXOHI-DTORHVGOSA-N 1 1 316.387 -1.761 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001436461819 928398906 /nfs/dbraw/zinc/39/89/06/928398906.db2.gz RAPNQGWGYAHQNU-BDAKNGLRSA-N 1 1 322.325 -1.342 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001436461819 928398915 /nfs/dbraw/zinc/39/89/15/928398915.db2.gz RAPNQGWGYAHQNU-BDAKNGLRSA-N 1 1 322.325 -1.342 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+]CC(=O)N2CCC2)cc(=O)[nH]1 ZINC001436439485 928399072 /nfs/dbraw/zinc/39/90/72/928399072.db2.gz POMQRLMAWHMBRP-UHFFFAOYSA-N 1 1 323.353 -1.233 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001436495683 928399163 /nfs/dbraw/zinc/39/91/63/928399163.db2.gz RMRRNJNUMXKRDG-NSHDSACASA-N 1 1 309.374 -1.139 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001436495683 928399173 /nfs/dbraw/zinc/39/91/73/928399173.db2.gz RMRRNJNUMXKRDG-NSHDSACASA-N 1 1 309.374 -1.139 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001436479927 928399371 /nfs/dbraw/zinc/39/93/71/928399371.db2.gz DPGFYYAROSTYRB-OUAUKWLOSA-N 1 1 311.386 -1.275 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001436479927 928399384 /nfs/dbraw/zinc/39/93/84/928399384.db2.gz DPGFYYAROSTYRB-OUAUKWLOSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(CCO)CC(N)=O)C1 ZINC001436451491 928399450 /nfs/dbraw/zinc/39/94/50/928399450.db2.gz JUEFRSLZHKJRMX-OLZOCXBDSA-N 1 1 312.414 -1.149 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001436483322 928400279 /nfs/dbraw/zinc/40/02/79/928400279.db2.gz LDVOMMREWWNZKU-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CC[N@H+]1CC(=O)NC(N)=O ZINC001436483322 928400286 /nfs/dbraw/zinc/40/02/86/928400286.db2.gz LDVOMMREWWNZKU-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 ZINC001436462122 928400752 /nfs/dbraw/zinc/40/07/52/928400752.db2.gz TXKRIBPELFELOP-BDAKNGLRSA-N 1 1 321.341 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C1 ZINC001436462122 928400759 /nfs/dbraw/zinc/40/07/59/928400759.db2.gz TXKRIBPELFELOP-BDAKNGLRSA-N 1 1 321.341 -1.607 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001436686701 928401898 /nfs/dbraw/zinc/40/18/98/928401898.db2.gz DGFFARAXLMGCRZ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001436686701 928401904 /nfs/dbraw/zinc/40/19/04/928401904.db2.gz DGFFARAXLMGCRZ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(N(C)C(=O)c2cn[nH]n2)CC1 ZINC001436668092 928402107 /nfs/dbraw/zinc/40/21/07/928402107.db2.gz OWHJIZZWGFUSJB-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 ZINC001436710666 928408267 /nfs/dbraw/zinc/40/82/67/928408267.db2.gz BDUUVZFBDXZPTB-GFCCVEGCSA-N 1 1 322.413 -1.201 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001436731817 928411017 /nfs/dbraw/zinc/41/10/17/928411017.db2.gz VJHVXZBHPPHNLT-WDEREUQCSA-N 1 1 323.415 -1.747 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001436849111 928413168 /nfs/dbraw/zinc/41/31/68/928413168.db2.gz YEOFQHSGJMGPTF-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001436833758 928413277 /nfs/dbraw/zinc/41/32/77/928413277.db2.gz AKXQHXRCXLQVPW-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001436852062 928413942 /nfs/dbraw/zinc/41/39/42/928413942.db2.gz UTRFQIHUWUHPDR-NSHDSACASA-N 1 1 309.374 -1.281 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)NC[C@H]1CCOC1 ZINC001436913523 928418682 /nfs/dbraw/zinc/41/86/82/928418682.db2.gz LMJKNUUTIFEFSS-GMTAPVOTSA-N 1 1 322.369 -1.192 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)NC[C@H]1CCOC1 ZINC001436913523 928418690 /nfs/dbraw/zinc/41/86/90/928418690.db2.gz LMJKNUUTIFEFSS-GMTAPVOTSA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001436988734 928420213 /nfs/dbraw/zinc/42/02/13/928420213.db2.gz WPVGBINALHJCEV-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001436979842 928420375 /nfs/dbraw/zinc/42/03/75/928420375.db2.gz SKXBBGNGVZDDJY-DTORHVGOSA-N 1 1 317.371 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001437001334 928421336 /nfs/dbraw/zinc/42/13/36/928421336.db2.gz JMNNHEOQVMTTAF-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001436982903 928421385 /nfs/dbraw/zinc/42/13/85/928421385.db2.gz BULLHXXIIIOTEV-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001436969577 928421530 /nfs/dbraw/zinc/42/15/30/928421530.db2.gz ICSXRGNOLFDYIE-OUAUKWLOSA-N 1 1 305.342 -1.087 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)c1nc[nH]n1 ZINC001436969577 928421541 /nfs/dbraw/zinc/42/15/41/928421541.db2.gz ICSXRGNOLFDYIE-OUAUKWLOSA-N 1 1 305.342 -1.087 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001436984486 928421839 /nfs/dbraw/zinc/42/18/39/928421839.db2.gz JLRXGBKEJKVRDK-LLVKDONJSA-N 1 1 324.385 -1.427 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001436984486 928421849 /nfs/dbraw/zinc/42/18/49/928421849.db2.gz JLRXGBKEJKVRDK-LLVKDONJSA-N 1 1 324.385 -1.427 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001436990659 928422158 /nfs/dbraw/zinc/42/21/58/928422158.db2.gz ZXZHTDCFBOGQMX-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001436990249 928422212 /nfs/dbraw/zinc/42/22/12/928422212.db2.gz DMTAMKQCIVMTIL-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001436990249 928422217 /nfs/dbraw/zinc/42/22/17/928422217.db2.gz DMTAMKQCIVMTIL-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001437071490 928422871 /nfs/dbraw/zinc/42/28/71/928422871.db2.gz PYIQFKSAMAABQS-SVPLCASGSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001437068333 928423379 /nfs/dbraw/zinc/42/33/79/928423379.db2.gz RUOHMUOIJSZCHV-HKWYAPCNSA-N 1 1 323.397 -1.243 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCOC ZINC001437035015 928423483 /nfs/dbraw/zinc/42/34/83/928423483.db2.gz RSQSVKNAISSEFC-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001437061564 928423874 /nfs/dbraw/zinc/42/38/74/928423874.db2.gz WPYNXLNMFAUJFB-NZFPMDFQSA-N 1 1 310.354 -1.205 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001437061564 928423876 /nfs/dbraw/zinc/42/38/76/928423876.db2.gz WPYNXLNMFAUJFB-NZFPMDFQSA-N 1 1 310.354 -1.205 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001437010780 928424124 /nfs/dbraw/zinc/42/41/24/928424124.db2.gz ZNXRFCPWWAXJKN-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001437068379 928424675 /nfs/dbraw/zinc/42/46/75/928424675.db2.gz RUOHMUOIJSZCHV-QATXWYEKSA-N 1 1 323.397 -1.243 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[C@H]1CCOC1 ZINC001437075440 928425188 /nfs/dbraw/zinc/42/51/88/928425188.db2.gz BDDNDGMTGUMKPR-APLVYKGISA-N 1 1 311.382 -1.040 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[C@H]1CCOC1 ZINC001437075440 928425194 /nfs/dbraw/zinc/42/51/94/928425194.db2.gz BDDNDGMTGUMKPR-APLVYKGISA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[NH2+][C@@H](C)c1nnnn1C ZINC001437127163 928429024 /nfs/dbraw/zinc/42/90/24/928429024.db2.gz PPMFCYHLWSJNSC-MNOVXSKESA-N 1 1 311.390 -1.302 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437125754 928429084 /nfs/dbraw/zinc/42/90/84/928429084.db2.gz CGROYOVSKPZKGE-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437165807 928432057 /nfs/dbraw/zinc/43/20/57/928432057.db2.gz QSMWGZJOFYSXPV-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001437158034 928432676 /nfs/dbraw/zinc/43/26/76/928432676.db2.gz AZJSFHNABLCJGZ-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ncnn1C ZINC001437160363 928433494 /nfs/dbraw/zinc/43/34/94/928433494.db2.gz CWQZZXQJNBSRFM-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001437211713 928435113 /nfs/dbraw/zinc/43/51/13/928435113.db2.gz MPACINASKNMUIO-LLVKDONJSA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCS(C)(=O)=O ZINC001437196842 928435548 /nfs/dbraw/zinc/43/55/48/928435548.db2.gz FREPIKGOGNMQOU-QMMMGPOBSA-N 1 1 304.372 -1.122 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001437264589 928440222 /nfs/dbraw/zinc/44/02/22/928440222.db2.gz VXYQETIFGZBVIG-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnns1 ZINC001437262135 928440457 /nfs/dbraw/zinc/44/04/57/928440457.db2.gz YDPZGCAYMWCGGR-APPZFPTMSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001437355817 928445786 /nfs/dbraw/zinc/44/57/86/928445786.db2.gz XUVLLDRBMBCPRC-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001437355817 928445789 /nfs/dbraw/zinc/44/57/89/928445789.db2.gz XUVLLDRBMBCPRC-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCCO)C1 ZINC001437343122 928445809 /nfs/dbraw/zinc/44/58/09/928445809.db2.gz DPBOJUDHDGNCBI-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001437339336 928446884 /nfs/dbraw/zinc/44/68/84/928446884.db2.gz VSMVQJNKVQCLKC-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437430805 928448244 /nfs/dbraw/zinc/44/82/44/928448244.db2.gz IZDFLQUNJAEINH-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437430805 928448251 /nfs/dbraw/zinc/44/82/51/928448251.db2.gz IZDFLQUNJAEINH-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437432604 928448453 /nfs/dbraw/zinc/44/84/53/928448453.db2.gz QUMSIPAMYDMYFZ-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437432604 928448458 /nfs/dbraw/zinc/44/84/58/928448458.db2.gz QUMSIPAMYDMYFZ-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnn(C)n1 ZINC001437426619 928449098 /nfs/dbraw/zinc/44/90/98/928449098.db2.gz HMPVDYRTDTUYMQ-VIFPVBQESA-N 1 1 322.373 -1.455 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N(C)C1CC1 ZINC001437445802 928451973 /nfs/dbraw/zinc/45/19/73/928451973.db2.gz AVBWNSVHZPIHNC-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C1CC1 ZINC001437445802 928451989 /nfs/dbraw/zinc/45/19/89/928451989.db2.gz AVBWNSVHZPIHNC-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+](CCNC(=O)C1=CCOCC1)CCNS(C)(=O)=O ZINC001437449550 928452160 /nfs/dbraw/zinc/45/21/60/928452160.db2.gz BQZVQTNDQFWDOH-UHFFFAOYSA-N 1 1 305.400 -1.070 20 0 DAADMO C[N@@H+](CCNC(=O)C1=CCOCC1)CCNS(C)(=O)=O ZINC001437449550 928452170 /nfs/dbraw/zinc/45/21/70/928452170.db2.gz BQZVQTNDQFWDOH-UHFFFAOYSA-N 1 1 305.400 -1.070 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)n1 ZINC001437458115 928452190 /nfs/dbraw/zinc/45/21/90/928452190.db2.gz PYUQRORGAQQMJL-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)n1 ZINC001437458115 928452198 /nfs/dbraw/zinc/45/21/98/928452198.db2.gz PYUQRORGAQQMJL-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N(C)C1CC1 ZINC001437445789 928452372 /nfs/dbraw/zinc/45/23/72/928452372.db2.gz AVBWNSVHZPIHNC-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C1CC1 ZINC001437445789 928452379 /nfs/dbraw/zinc/45/23/79/928452379.db2.gz AVBWNSVHZPIHNC-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)n1 ZINC001437457572 928452559 /nfs/dbraw/zinc/45/25/59/928452559.db2.gz ORVDVABUOHABEG-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)n1 ZINC001437457572 928452570 /nfs/dbraw/zinc/45/25/70/928452570.db2.gz ORVDVABUOHABEG-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)cnn1C ZINC001437434795 928452964 /nfs/dbraw/zinc/45/29/64/928452964.db2.gz GTTFCSMTIIINAH-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)cnn1C ZINC001437434795 928452966 /nfs/dbraw/zinc/45/29/66/928452966.db2.gz GTTFCSMTIIINAH-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnn1C ZINC001437445101 928453027 /nfs/dbraw/zinc/45/30/27/928453027.db2.gz MLSVKOFRWYREJG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnn1C ZINC001437445101 928453032 /nfs/dbraw/zinc/45/30/32/928453032.db2.gz MLSVKOFRWYREJG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437446012 928453193 /nfs/dbraw/zinc/45/31/93/928453193.db2.gz AVABXGACKOIAHO-UWVGGRQHSA-N 1 1 321.399 -1.607 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437446012 928453202 /nfs/dbraw/zinc/45/32/02/928453202.db2.gz AVABXGACKOIAHO-UWVGGRQHSA-N 1 1 321.399 -1.607 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)CCn2cccn2)CC1=O ZINC001437488748 928454355 /nfs/dbraw/zinc/45/43/55/928454355.db2.gz NUDLIOWJMCQRJL-UHFFFAOYSA-N 1 1 322.413 -1.295 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)CC1=O ZINC001437469876 928455131 /nfs/dbraw/zinc/45/51/31/928455131.db2.gz FQTGKWZZUNOHFA-CHWSQXEVSA-N 1 1 323.397 -1.230 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001437483454 928455204 /nfs/dbraw/zinc/45/52/04/928455204.db2.gz ASUFLXKCOKKLNN-SNVBAGLBSA-N 1 1 301.347 -2.363 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)CC1=O ZINC001437469883 928455306 /nfs/dbraw/zinc/45/53/06/928455306.db2.gz FQTGKWZZUNOHFA-QWHCGFSZSA-N 1 1 323.397 -1.230 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001437466388 928455672 /nfs/dbraw/zinc/45/56/72/928455672.db2.gz OUIFNIYLEZZOMQ-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001437466388 928455680 /nfs/dbraw/zinc/45/56/80/928455680.db2.gz OUIFNIYLEZZOMQ-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001437467586 928455751 /nfs/dbraw/zinc/45/57/51/928455751.db2.gz YXWAMVXYPFVECW-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001437467586 928455755 /nfs/dbraw/zinc/45/57/55/928455755.db2.gz YXWAMVXYPFVECW-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001437471865 928455928 /nfs/dbraw/zinc/45/59/28/928455928.db2.gz QEGGVNWXCYEIOT-SECBINFHSA-N 1 1 311.342 -2.531 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001437471865 928455933 /nfs/dbraw/zinc/45/59/33/928455933.db2.gz QEGGVNWXCYEIOT-SECBINFHSA-N 1 1 311.342 -2.531 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486385 928456657 /nfs/dbraw/zinc/45/66/57/928456657.db2.gz YVKHWRYHSSHZRD-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486385 928456664 /nfs/dbraw/zinc/45/66/64/928456664.db2.gz YVKHWRYHSSHZRD-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)c1nnn(C)n1)CS(C)(=O)=O ZINC001437502417 928459493 /nfs/dbraw/zinc/45/94/93/928459493.db2.gz UFGINMPCJBYQGA-VIFPVBQESA-N 1 1 318.403 -1.448 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)c1nnn(C)n1)CS(C)(=O)=O ZINC001437502417 928459498 /nfs/dbraw/zinc/45/94/98/928459498.db2.gz UFGINMPCJBYQGA-VIFPVBQESA-N 1 1 318.403 -1.448 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437507882 928459523 /nfs/dbraw/zinc/45/95/23/928459523.db2.gz QBDDGSFZTNWCFT-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437507882 928459527 /nfs/dbraw/zinc/45/95/27/928459527.db2.gz QBDDGSFZTNWCFT-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CC(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001437501248 928459754 /nfs/dbraw/zinc/45/97/54/928459754.db2.gz ZUKPOALZQUZMCH-NSHDSACASA-N 1 1 319.427 -1.006 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437523606 928459952 /nfs/dbraw/zinc/45/99/52/928459952.db2.gz GWHVLVFHRJPNBO-UHFFFAOYSA-N 1 1 308.342 -1.415 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001437549705 928461935 /nfs/dbraw/zinc/46/19/35/928461935.db2.gz GIRIJPAAIREBCM-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001437549705 928461942 /nfs/dbraw/zinc/46/19/42/928461942.db2.gz GIRIJPAAIREBCM-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)Cc2nnnn2C)C1 ZINC001437563876 928462153 /nfs/dbraw/zinc/46/21/53/928462153.db2.gz LLQROYQUOUQIIE-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)Cc2nnnn2C)C1 ZINC001437563876 928462156 /nfs/dbraw/zinc/46/21/56/928462156.db2.gz LLQROYQUOUQIIE-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C)C(=O)NC(N)=O ZINC001437623315 928464310 /nfs/dbraw/zinc/46/43/10/928464310.db2.gz ZRVCFRSUQBZRQT-UKKRHICBSA-N 1 1 312.370 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C)C(=O)NC(N)=O ZINC001437623315 928464316 /nfs/dbraw/zinc/46/43/16/928464316.db2.gz ZRVCFRSUQBZRQT-UKKRHICBSA-N 1 1 312.370 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C[C@@H](C)O ZINC001437605431 928464410 /nfs/dbraw/zinc/46/44/10/928464410.db2.gz BUKVORVHJMPOKA-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)C[C@@H](C)O ZINC001437599021 928464546 /nfs/dbraw/zinc/46/45/46/928464546.db2.gz QGLJPXPRLMUHOG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccnn1C)CC(=O)NC(=O)NC ZINC001437581960 928464567 /nfs/dbraw/zinc/46/45/67/928464567.db2.gz GSMDEDCMEOPVOI-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccnn1C)CC(=O)NC(=O)NC ZINC001437581960 928464572 /nfs/dbraw/zinc/46/45/72/928464572.db2.gz GSMDEDCMEOPVOI-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001437568710 928464858 /nfs/dbraw/zinc/46/48/58/928464858.db2.gz PQNPNXJAOZCVQN-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001437568710 928464864 /nfs/dbraw/zinc/46/48/64/928464864.db2.gz PQNPNXJAOZCVQN-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CC[N@H+](CCNC(=O)c1[nH]nnc1C)CCNS(C)(=O)=O ZINC001437615675 928464979 /nfs/dbraw/zinc/46/49/79/928464979.db2.gz KWLCKRORJWXPFX-UHFFFAOYSA-N 1 1 318.403 -1.286 20 0 DAADMO CC[N@@H+](CCNC(=O)c1[nH]nnc1C)CCNS(C)(=O)=O ZINC001437615675 928464982 /nfs/dbraw/zinc/46/49/82/928464982.db2.gz KWLCKRORJWXPFX-UHFFFAOYSA-N 1 1 318.403 -1.286 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(=O)NC(N)=O ZINC001437598935 928465034 /nfs/dbraw/zinc/46/50/34/928465034.db2.gz QBMUVXPUMYGQIC-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(=O)NC(N)=O ZINC001437598935 928465038 /nfs/dbraw/zinc/46/50/38/928465038.db2.gz QBMUVXPUMYGQIC-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570714 928465198 /nfs/dbraw/zinc/46/51/98/928465198.db2.gz RIUOWUJFXUBSRK-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570714 928465204 /nfs/dbraw/zinc/46/52/04/928465204.db2.gz RIUOWUJFXUBSRK-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)C[C@H](C)O ZINC001437599023 928465494 /nfs/dbraw/zinc/46/54/94/928465494.db2.gz QGLJPXPRLMUHOG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn(C)n1)CC(=O)N1CCOCC1 ZINC001437589490 928465664 /nfs/dbraw/zinc/46/56/64/928465664.db2.gz HQUQMAVJZDWBHK-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)CC(=O)N1CCOCC1 ZINC001437589490 928465676 /nfs/dbraw/zinc/46/56/76/928465676.db2.gz HQUQMAVJZDWBHK-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001437625436 928466039 /nfs/dbraw/zinc/46/60/39/928466039.db2.gz FMZJFKYEOBZGBZ-SNVBAGLBSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001437625436 928466049 /nfs/dbraw/zinc/46/60/49/928466049.db2.gz FMZJFKYEOBZGBZ-SNVBAGLBSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N(C)C(C)C ZINC001437600183 928466342 /nfs/dbraw/zinc/46/63/42/928466342.db2.gz QNWVEBYLAGIROJ-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N(C)C(C)C ZINC001437600183 928466346 /nfs/dbraw/zinc/46/63/46/928466346.db2.gz QNWVEBYLAGIROJ-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O)n1 ZINC001437591818 928466571 /nfs/dbraw/zinc/46/65/71/928466571.db2.gz NUNOIGOJSJZEBL-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O)n1 ZINC001437591818 928466578 /nfs/dbraw/zinc/46/65/78/928466578.db2.gz NUNOIGOJSJZEBL-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)c1nccnc1C(N)=O ZINC001437642644 928467637 /nfs/dbraw/zinc/46/76/37/928467637.db2.gz RORUGIXPTAJIMU-UHFFFAOYSA-N 1 1 322.369 -1.237 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)c1nccnc1C(N)=O ZINC001437642644 928467640 /nfs/dbraw/zinc/46/76/40/928467640.db2.gz RORUGIXPTAJIMU-UHFFFAOYSA-N 1 1 322.369 -1.237 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437650179 928467655 /nfs/dbraw/zinc/46/76/55/928467655.db2.gz MGPJKIARMROJQI-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437650179 928467656 /nfs/dbraw/zinc/46/76/56/928467656.db2.gz MGPJKIARMROJQI-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1CCNC1=O ZINC001437629480 928467841 /nfs/dbraw/zinc/46/78/41/928467841.db2.gz BERPQJSKQMJGGJ-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](C)OC ZINC001437667283 928468275 /nfs/dbraw/zinc/46/82/75/928468275.db2.gz QJQIRMXVEGVQAL-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001437676300 928469126 /nfs/dbraw/zinc/46/91/26/928469126.db2.gz SVJJGGPNSMWPRS-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001437676300 928469132 /nfs/dbraw/zinc/46/91/32/928469132.db2.gz SVJJGGPNSMWPRS-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437659073 928469348 /nfs/dbraw/zinc/46/93/48/928469348.db2.gz KFHQFMSOCADADG-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001437656419 928469562 /nfs/dbraw/zinc/46/95/62/928469562.db2.gz ATMUAQMTVARCPI-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001437656419 928469566 /nfs/dbraw/zinc/46/95/66/928469566.db2.gz ATMUAQMTVARCPI-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001437651436 928469599 /nfs/dbraw/zinc/46/95/99/928469599.db2.gz PQGXXQQBLYJNSO-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001437651436 928469607 /nfs/dbraw/zinc/46/96/07/928469607.db2.gz PQGXXQQBLYJNSO-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437650183 928469672 /nfs/dbraw/zinc/46/96/72/928469672.db2.gz MGPJKIARMROJQI-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437650183 928469679 /nfs/dbraw/zinc/46/96/79/928469679.db2.gz MGPJKIARMROJQI-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001437677470 928469804 /nfs/dbraw/zinc/46/98/04/928469804.db2.gz KLGDDZFHJDWSMG-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001437677470 928469808 /nfs/dbraw/zinc/46/98/08/928469808.db2.gz KLGDDZFHJDWSMG-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001437665132 928469893 /nfs/dbraw/zinc/46/98/93/928469893.db2.gz XMJNUBWQQFCISK-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001437682360 928470869 /nfs/dbraw/zinc/47/08/69/928470869.db2.gz UJXIBABJPUUSIZ-NSHDSACASA-N 1 1 319.365 -1.211 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001437682360 928470873 /nfs/dbraw/zinc/47/08/73/928470873.db2.gz UJXIBABJPUUSIZ-NSHDSACASA-N 1 1 319.365 -1.211 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001437707927 928470888 /nfs/dbraw/zinc/47/08/88/928470888.db2.gz PNYUEIMMQUPRGW-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001437680057 928471239 /nfs/dbraw/zinc/47/12/39/928471239.db2.gz KKMHCJVRIIONMJ-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001437680057 928471248 /nfs/dbraw/zinc/47/12/48/928471248.db2.gz KKMHCJVRIIONMJ-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707662 928471764 /nfs/dbraw/zinc/47/17/64/928471764.db2.gz LIFBZAUARTWVPE-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001437710825 928472379 /nfs/dbraw/zinc/47/23/79/928472379.db2.gz KMQSCKOBCPTQJW-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001437684329 928472435 /nfs/dbraw/zinc/47/24/35/928472435.db2.gz XMSDQERSZDYOSH-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707928 928472973 /nfs/dbraw/zinc/47/29/73/928472973.db2.gz YHTSKJOFJHRBSP-ZJUUUORDSA-N 1 1 300.359 -1.098 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437702270 928473641 /nfs/dbraw/zinc/47/36/41/928473641.db2.gz CQJWKBZPSPJROP-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CC[C@@H](C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001437722324 928474256 /nfs/dbraw/zinc/47/42/56/928474256.db2.gz BBDRTYXTCRCHNO-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H](C)C(=O)N(C)C ZINC001437749412 928474349 /nfs/dbraw/zinc/47/43/49/928474349.db2.gz FZGWVGTTXUEBCR-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001437745132 928474694 /nfs/dbraw/zinc/47/46/94/928474694.db2.gz SWQGNYOXVRSMGY-NSHDSACASA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001437733777 928474760 /nfs/dbraw/zinc/47/47/60/928474760.db2.gz AFGJGUXKTOTYBV-VHSXEESVSA-N 1 1 320.415 -1.810 20 0 DAADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001437739695 928475547 /nfs/dbraw/zinc/47/55/47/928475547.db2.gz VKOILHOEOCOFPW-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCN(C)C1=O ZINC001437738852 928475969 /nfs/dbraw/zinc/47/59/69/928475969.db2.gz SNWMBOBJIODPPI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCCNC1=O ZINC001437749871 928476031 /nfs/dbraw/zinc/47/60/31/928476031.db2.gz HPJBHVOCFCDQRH-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@@]1(CC(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001437737210 928476554 /nfs/dbraw/zinc/47/65/54/928476554.db2.gz IEDJDQALNBYWGM-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(NCC[N@@H+](CCN1CCNC1=O)C1CC1)[C@H]1CCC(=O)N1 ZINC001437778025 928477673 /nfs/dbraw/zinc/47/76/73/928477673.db2.gz IYXXQYWVSNFMGN-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001437805346 928477728 /nfs/dbraw/zinc/47/77/28/928477728.db2.gz FNWZAAGYMONOBJ-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437805542 928478170 /nfs/dbraw/zinc/47/81/70/928478170.db2.gz VEZQGNUQHFVADX-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437805542 928478178 /nfs/dbraw/zinc/47/81/78/928478178.db2.gz VEZQGNUQHFVADX-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)N1CCCC1 ZINC001437804081 928478208 /nfs/dbraw/zinc/47/82/08/928478208.db2.gz KSPAPANQSDEKKG-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)N1CCCC1 ZINC001437804081 928478214 /nfs/dbraw/zinc/47/82/14/928478214.db2.gz KSPAPANQSDEKKG-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001437805342 928478551 /nfs/dbraw/zinc/47/85/51/928478551.db2.gz FNWZAAGYMONOBJ-UWVGGRQHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001437786847 928478650 /nfs/dbraw/zinc/47/86/50/928478650.db2.gz SNVXIGPOTAFIIB-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001437786847 928478658 /nfs/dbraw/zinc/47/86/58/928478658.db2.gz SNVXIGPOTAFIIB-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CCC[N@@H+](CCCO)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001437765963 928478844 /nfs/dbraw/zinc/47/88/44/928478844.db2.gz UGBJPYVZMPDPOV-JTQLQIEISA-N 1 1 300.359 -1.205 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCCNC1=O ZINC001437759021 928478870 /nfs/dbraw/zinc/47/88/70/928478870.db2.gz KXLSLICLIBNVIE-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C[C@H](C)O)C1CC1 ZINC001437805344 928478893 /nfs/dbraw/zinc/47/88/93/928478893.db2.gz FNWZAAGYMONOBJ-VHSXEESVSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001437804545 928478912 /nfs/dbraw/zinc/47/89/12/928478912.db2.gz OJSSALSVYFDNBT-LLVKDONJSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001437804545 928478923 /nfs/dbraw/zinc/47/89/23/928478923.db2.gz OJSSALSVYFDNBT-LLVKDONJSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001437795870 928479322 /nfs/dbraw/zinc/47/93/22/928479322.db2.gz XBJWHMFBFONODE-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001437795870 928479333 /nfs/dbraw/zinc/47/93/33/928479333.db2.gz XBJWHMFBFONODE-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001437807979 928479471 /nfs/dbraw/zinc/47/94/71/928479471.db2.gz UIMCMMNAHMDBTD-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001437807979 928479478 /nfs/dbraw/zinc/47/94/78/928479478.db2.gz UIMCMMNAHMDBTD-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479512 /nfs/dbraw/zinc/47/95/12/928479512.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781098 928479515 /nfs/dbraw/zinc/47/95/15/928479515.db2.gz NEKGCNHSDQCFFK-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CN1CCOCC1)c1nnnn1C ZINC001437831869 928481553 /nfs/dbraw/zinc/48/15/53/928481553.db2.gz RMRTVYCMIMLFLD-NSHDSACASA-N 1 1 311.390 -1.349 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nncn1C ZINC001437845573 928481604 /nfs/dbraw/zinc/48/16/04/928481604.db2.gz VVIZAIHARZAPOJ-OUAUKWLOSA-N 1 1 324.385 -1.043 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001437947502 928483134 /nfs/dbraw/zinc/48/31/34/928483134.db2.gz RCQUIIYFLXAMHU-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cnn(CC(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001437941913 928483214 /nfs/dbraw/zinc/48/32/14/928483214.db2.gz XJQYWUJWYJTBKP-JTQLQIEISA-N 1 1 310.358 -2.105 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001437947512 928483813 /nfs/dbraw/zinc/48/38/13/928483813.db2.gz RCQUIIYFLXAMHU-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437932676 928484087 /nfs/dbraw/zinc/48/40/87/928484087.db2.gz IXPIXFXBXWZKPS-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)CCn2cnnn2)C1 ZINC001437936384 928484103 /nfs/dbraw/zinc/48/41/03/928484103.db2.gz FIUWYEVIDDGQQU-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437932688 928484742 /nfs/dbraw/zinc/48/47/42/928484742.db2.gz IXPIXFXBXWZKPS-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001437992199 928487233 /nfs/dbraw/zinc/48/72/33/928487233.db2.gz RHTWHEAQQXDWPD-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437983879 928487417 /nfs/dbraw/zinc/48/74/17/928487417.db2.gz UDQYOMUWNLVTLV-BDAKNGLRSA-N 1 1 323.357 -1.218 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001437988085 928487763 /nfs/dbraw/zinc/48/77/63/928487763.db2.gz IGQHLWVPGFOONU-SNVBAGLBSA-N 1 1 310.358 -1.850 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001437983379 928488194 /nfs/dbraw/zinc/48/81/94/928488194.db2.gz DPGBGLLIBOGVPZ-NWDGAFQWSA-N 1 1 316.402 -1.168 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001437992202 928488367 /nfs/dbraw/zinc/48/83/67/928488367.db2.gz RHTWHEAQQXDWPD-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001438097299 928496131 /nfs/dbraw/zinc/49/61/31/928496131.db2.gz DYNTWFATHOTJFM-JTQLQIEISA-N 1 1 305.400 -1.237 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN(C)C(=O)COC)C1 ZINC001438118129 928497617 /nfs/dbraw/zinc/49/76/17/928497617.db2.gz CNKRPXKPESRRNJ-JTQLQIEISA-N 1 1 314.386 -1.726 20 0 DAADMO CO[C@@H](C)C(=O)NCC1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001438111460 928498150 /nfs/dbraw/zinc/49/81/50/928498150.db2.gz DTJUWTFTMGZMTA-JTQLQIEISA-N 1 1 324.381 -1.333 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001438120647 928498627 /nfs/dbraw/zinc/49/86/27/928498627.db2.gz CXTLMMOZLVSRHN-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001438142275 928502140 /nfs/dbraw/zinc/50/21/40/928502140.db2.gz HGDKEESFVISFNJ-SNVBAGLBSA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)OC ZINC001438166815 928503437 /nfs/dbraw/zinc/50/34/37/928503437.db2.gz BMMVPXACQLNRKY-DCAQKATOSA-N 1 1 320.415 -1.640 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CNC(=O)NC)C1=O ZINC001438169621 928504281 /nfs/dbraw/zinc/50/42/81/928504281.db2.gz RLKLMCHFMUWVTI-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001438178543 928505626 /nfs/dbraw/zinc/50/56/26/928505626.db2.gz MSWAUNHOWWCUNN-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438204809 928505809 /nfs/dbraw/zinc/50/58/09/928505809.db2.gz OXFPFYISKKLGSA-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438204809 928505817 /nfs/dbraw/zinc/50/58/17/928505817.db2.gz OXFPFYISKKLGSA-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001438193058 928505923 /nfs/dbraw/zinc/50/59/23/928505923.db2.gz BQMHXQHUGVJRKW-DCAQKATOSA-N 1 1 312.370 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001438193061 928506246 /nfs/dbraw/zinc/50/62/46/928506246.db2.gz BXBKDJBIAWSQBS-VWYCJHECSA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001438197517 928506418 /nfs/dbraw/zinc/50/64/18/928506418.db2.gz BURLKQIUVUJRSM-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001438197517 928506432 /nfs/dbraw/zinc/50/64/32/928506432.db2.gz BURLKQIUVUJRSM-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001438191303 928507498 /nfs/dbraw/zinc/50/74/98/928507498.db2.gz BYYYCLHHAXBKSE-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001438191303 928507506 /nfs/dbraw/zinc/50/75/06/928507506.db2.gz BYYYCLHHAXBKSE-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001438174762 928507710 /nfs/dbraw/zinc/50/77/10/928507710.db2.gz YLTTXVUISIBTNM-MRVPVSSYSA-N 1 1 321.403 -2.777 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001438217373 928507763 /nfs/dbraw/zinc/50/77/63/928507763.db2.gz CFYZOOJQPRTKNG-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001438247237 928509345 /nfs/dbraw/zinc/50/93/45/928509345.db2.gz PGWNVTFLPZXMMO-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001438270426 928509983 /nfs/dbraw/zinc/50/99/83/928509983.db2.gz XGHVIKMVRFVAOT-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001438230773 928510091 /nfs/dbraw/zinc/51/00/91/928510091.db2.gz QSAIUBSWBNZGGB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438230773 928510095 /nfs/dbraw/zinc/51/00/95/928510095.db2.gz QSAIUBSWBNZGGB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001438228694 928510629 /nfs/dbraw/zinc/51/06/29/928510629.db2.gz ASUSSQSHXZUDQY-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001438228694 928510637 /nfs/dbraw/zinc/51/06/37/928510637.db2.gz ASUSSQSHXZUDQY-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001438233235 928510686 /nfs/dbraw/zinc/51/06/86/928510686.db2.gz SDFSBGVNNVVVJO-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001438233235 928510693 /nfs/dbraw/zinc/51/06/93/928510693.db2.gz SDFSBGVNNVVVJO-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001438242853 928511083 /nfs/dbraw/zinc/51/10/83/928511083.db2.gz PCFDKNJJVPPGFJ-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001438249063 928511241 /nfs/dbraw/zinc/51/12/41/928511241.db2.gz MRHBZGBETATRPE-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438249063 928511249 /nfs/dbraw/zinc/51/12/49/928511249.db2.gz MRHBZGBETATRPE-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001438233935 928511294 /nfs/dbraw/zinc/51/12/94/928511294.db2.gz SOJXDDCFCVDZPZ-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001438236521 928511312 /nfs/dbraw/zinc/51/13/12/928511312.db2.gz TVBQLRRBICFEJM-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001438236521 928511315 /nfs/dbraw/zinc/51/13/15/928511315.db2.gz TVBQLRRBICFEJM-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CC[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1nnnn1C ZINC001438280896 928513246 /nfs/dbraw/zinc/51/32/46/928513246.db2.gz LMUBXYHAVWVTIW-JTQLQIEISA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001438297384 928513400 /nfs/dbraw/zinc/51/34/00/928513400.db2.gz GBZFOBBUGONRJR-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nonc1C ZINC001438325965 928513440 /nfs/dbraw/zinc/51/34/40/928513440.db2.gz KTZAMJNPEBXCTL-JTQLQIEISA-N 1 1 323.357 -1.042 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001438311563 928514415 /nfs/dbraw/zinc/51/44/15/928514415.db2.gz IYUQQXOCPDCUFA-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CC[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1CCNC1=O ZINC001438370011 928516071 /nfs/dbraw/zinc/51/60/71/928516071.db2.gz KYKRBGYPABXOOW-JTQLQIEISA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1nnn(C)n1 ZINC001438485079 928519331 /nfs/dbraw/zinc/51/93/31/928519331.db2.gz QEPFBCZQWZOGIY-MNOVXSKESA-N 1 1 312.374 -1.143 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001438521631 928520152 /nfs/dbraw/zinc/52/01/52/928520152.db2.gz RQEKOODOFZSDEU-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001438566956 928526092 /nfs/dbraw/zinc/52/60/92/928526092.db2.gz OQCBYXKEIOZPAJ-GFCCVEGCSA-N 1 1 314.386 -1.399 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001438566956 928526105 /nfs/dbraw/zinc/52/61/05/928526105.db2.gz OQCBYXKEIOZPAJ-GFCCVEGCSA-N 1 1 314.386 -1.399 20 0 DAADMO NC(=O)NCCC(=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001438622877 928527606 /nfs/dbraw/zinc/52/76/06/928527606.db2.gz PNUCMKGWDAXJBF-LLVKDONJSA-N 1 1 323.397 -1.142 20 0 DAADMO C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001438646636 928528684 /nfs/dbraw/zinc/52/86/84/928528684.db2.gz VITCNQNAIMTAHB-RKDXNWHRSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CCNC(N)=O)CC2 ZINC001438622892 928529299 /nfs/dbraw/zinc/52/92/99/928529299.db2.gz PSNPYVLXLBWHBH-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCOCC1 ZINC001438652361 928530790 /nfs/dbraw/zinc/53/07/90/928530790.db2.gz ZXRSHVSVTQXZKE-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CCn1cnnn1 ZINC001438702914 928531042 /nfs/dbraw/zinc/53/10/42/928531042.db2.gz RHDPWPLWIMDSCU-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCCNC1=O ZINC001438662601 928532259 /nfs/dbraw/zinc/53/22/59/928532259.db2.gz KRNILDZLZLIFKO-JTQLQIEISA-N 1 1 324.389 -1.438 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001438706455 928534581 /nfs/dbraw/zinc/53/45/81/928534581.db2.gz YCIUGHHLLAIDOU-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001438801185 928534808 /nfs/dbraw/zinc/53/48/08/928534808.db2.gz PQRCJPRXUWMQBZ-MNOVXSKESA-N 1 1 323.401 -1.081 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438861244 928536823 /nfs/dbraw/zinc/53/68/23/928536823.db2.gz KQKRNXMPQWVMRU-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438861244 928536831 /nfs/dbraw/zinc/53/68/31/928536831.db2.gz KQKRNXMPQWVMRU-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438863682 928537652 /nfs/dbraw/zinc/53/76/52/928537652.db2.gz IVVXBJHJYVWOQV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438863682 928537658 /nfs/dbraw/zinc/53/76/58/928537658.db2.gz IVVXBJHJYVWOQV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438937415 928540460 /nfs/dbraw/zinc/54/04/60/928540460.db2.gz ZXXHBHURTVXKET-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438937415 928540465 /nfs/dbraw/zinc/54/04/65/928540465.db2.gz ZXXHBHURTVXKET-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001438877577 928540903 /nfs/dbraw/zinc/54/09/03/928540903.db2.gz PYPOCNLHTCZYHV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001438877577 928540912 /nfs/dbraw/zinc/54/09/12/928540912.db2.gz PYPOCNLHTCZYHV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cnc(C(N)=O)n1 ZINC001438875816 928541391 /nfs/dbraw/zinc/54/13/91/928541391.db2.gz WMFAUCJXEJTXLT-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cnc(C(N)=O)n1 ZINC001438875816 928541400 /nfs/dbraw/zinc/54/14/00/928541400.db2.gz WMFAUCJXEJTXLT-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001438905076 928541754 /nfs/dbraw/zinc/54/17/54/928541754.db2.gz INEZCTWCCJXCJS-GFCCVEGCSA-N 1 1 321.381 -1.043 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001438940677 928541826 /nfs/dbraw/zinc/54/18/26/928541826.db2.gz ZJZOIWKOQRFHFU-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001438929385 928541939 /nfs/dbraw/zinc/54/19/39/928541939.db2.gz XGSGYUPGBRMBHM-UHFFFAOYSA-N 1 1 309.370 -1.128 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001438929385 928541945 /nfs/dbraw/zinc/54/19/45/928541945.db2.gz XGSGYUPGBRMBHM-UHFFFAOYSA-N 1 1 309.370 -1.128 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438928229 928542173 /nfs/dbraw/zinc/54/21/73/928542173.db2.gz OPPAMMGUVFAKLS-UHFFFAOYSA-N 1 1 324.341 -2.021 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438928229 928542180 /nfs/dbraw/zinc/54/21/80/928542180.db2.gz OPPAMMGUVFAKLS-UHFFFAOYSA-N 1 1 324.341 -2.021 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)no1 ZINC001438953181 928543191 /nfs/dbraw/zinc/54/31/91/928543191.db2.gz AGWRDUUQAOIBQW-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438952906 928543232 /nfs/dbraw/zinc/54/32/32/928543232.db2.gz FYSJOGJAGUWCGF-OIBJUYFYSA-N 1 1 315.399 -1.062 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)CC[C@H]21 ZINC001438952570 928543900 /nfs/dbraw/zinc/54/39/00/928543900.db2.gz QLWBZKZFXTYUFN-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001438958335 928544525 /nfs/dbraw/zinc/54/45/25/928544525.db2.gz GWYCHGVNGULFRV-LBPRGKRZSA-N 1 1 312.374 -1.314 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)CC[C@@H]21 ZINC001438952571 928544762 /nfs/dbraw/zinc/54/47/62/928544762.db2.gz QLWBZKZFXTYUFN-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001438970896 928550734 /nfs/dbraw/zinc/55/07/34/928550734.db2.gz HEHJCAIKBLCVIL-LDYMZIIASA-N 1 1 312.374 -1.281 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cccn1 ZINC001438970774 928550912 /nfs/dbraw/zinc/55/09/12/928550912.db2.gz GXTYAMPIZQSDJJ-ZYHUDNBSSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cccn1 ZINC001438970764 928551084 /nfs/dbraw/zinc/55/10/84/928551084.db2.gz GXTYAMPIZQSDJJ-JQWIXIFHSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cccn1 ZINC001438970769 928551200 /nfs/dbraw/zinc/55/12/00/928551200.db2.gz GXTYAMPIZQSDJJ-PWSUYJOCSA-N 1 1 307.358 -1.161 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)[nH]n1 ZINC001438980336 928552838 /nfs/dbraw/zinc/55/28/38/928552838.db2.gz YMJDECWVTJVPKQ-NSHDSACASA-N 1 1 307.358 -1.019 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001438979561 928553264 /nfs/dbraw/zinc/55/32/64/928553264.db2.gz HCAIPFDFHUUMPR-GHMZBOCLSA-N 1 1 324.385 -1.467 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)[nH]n1 ZINC001438980195 928553604 /nfs/dbraw/zinc/55/36/04/928553604.db2.gz YMJDECWVTJVPKQ-LLVKDONJSA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001438978171 928554094 /nfs/dbraw/zinc/55/40/94/928554094.db2.gz CNCOQYZFUNKZAD-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001438977161 928554162 /nfs/dbraw/zinc/55/41/62/928554162.db2.gz YXQSCOWUEDQHRP-SNVBAGLBSA-N 1 1 308.346 -1.638 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438977377 928554492 /nfs/dbraw/zinc/55/44/92/928554492.db2.gz SYYNMMIEJSFULH-JTQLQIEISA-N 1 1 315.399 -1.108 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001438978369 928554503 /nfs/dbraw/zinc/55/45/03/928554503.db2.gz DGRPCSZGIWCLAD-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)on1 ZINC001438984748 928556336 /nfs/dbraw/zinc/55/63/36/928556336.db2.gz QQNAACBGFXJRNN-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001438987258 928558773 /nfs/dbraw/zinc/55/87/73/928558773.db2.gz VTHOBYPITDXLLD-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001438989445 928561080 /nfs/dbraw/zinc/56/10/80/928561080.db2.gz AUARPJUJKMDTMX-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001438991185 928561317 /nfs/dbraw/zinc/56/13/17/928561317.db2.gz HFAUUXBLLQEZRD-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001438990936 928561595 /nfs/dbraw/zinc/56/15/95/928561595.db2.gz OGBINACXXOKIQU-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001438992783 928564068 /nfs/dbraw/zinc/56/40/68/928564068.db2.gz OWCNDYOGGGRGJB-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001438994223 928564366 /nfs/dbraw/zinc/56/43/66/928564366.db2.gz BESPPKOLZFJQDY-QMMMGPOBSA-N 1 1 308.346 -1.624 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001438993945 928564599 /nfs/dbraw/zinc/56/45/99/928564599.db2.gz ADGIAWUOBBEBHP-WDEREUQCSA-N 1 1 324.385 -1.257 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001438993616 928564655 /nfs/dbraw/zinc/56/46/55/928564655.db2.gz RTFRABVDIPDDBO-LLVKDONJSA-N 1 1 321.385 -1.090 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1cnn[nH]1 ZINC001438993968 928564738 /nfs/dbraw/zinc/56/47/38/928564738.db2.gz AGJKWMVDLOXLCA-QWRGUYRKSA-N 1 1 322.369 -1.362 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)co1 ZINC001438995786 928566212 /nfs/dbraw/zinc/56/62/12/928566212.db2.gz UYOXJMGIUFWRJT-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)nn1 ZINC001438996908 928566306 /nfs/dbraw/zinc/56/63/06/928566306.db2.gz WQZDTANBDBFGDK-JTQLQIEISA-N 1 1 307.314 -1.809 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C1CC1 ZINC001438997272 928567534 /nfs/dbraw/zinc/56/75/34/928567534.db2.gz OTUUURGKYJACHK-GFCCVEGCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001439005870 928568667 /nfs/dbraw/zinc/56/86/67/928568667.db2.gz DAISPNVPJWSVIH-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001439004487 928569137 /nfs/dbraw/zinc/56/91/37/928569137.db2.gz DPLSGGWLLHHWNZ-LBPRGKRZSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCCC1=O ZINC001439003082 928569202 /nfs/dbraw/zinc/56/92/02/928569202.db2.gz QTIXUBPQIUQCAP-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001439002464 928569395 /nfs/dbraw/zinc/56/93/95/928569395.db2.gz WYNLGFDCSOGFOM-QWRGUYRKSA-N 1 1 307.354 -1.478 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)CC1=O ZINC001439001389 928570412 /nfs/dbraw/zinc/57/04/12/928570412.db2.gz VSIPNYYGBGUKSF-VHSXEESVSA-N 1 1 310.358 -2.140 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001439012936 928573908 /nfs/dbraw/zinc/57/39/08/928573908.db2.gz KRVIFBHYNSYFAX-ZJUUUORDSA-N 1 1 324.385 -1.621 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001439012916 928574275 /nfs/dbraw/zinc/57/42/75/928574275.db2.gz KRVIFBHYNSYFAX-NXEZZACHSA-N 1 1 324.385 -1.621 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001439012278 928574359 /nfs/dbraw/zinc/57/43/59/928574359.db2.gz KMZPTISVORGYER-LOWVWBTDSA-N 1 1 324.385 -1.408 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001439011975 928575334 /nfs/dbraw/zinc/57/53/34/928575334.db2.gz IJUXVCSFHKGLHF-SECBINFHSA-N 1 1 307.310 -1.053 20 0 DAADMO COc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001439013178 928575662 /nfs/dbraw/zinc/57/56/62/928575662.db2.gz VGFCAAIBUYEZAX-SECBINFHSA-N 1 1 321.341 -1.208 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439010721 928575540 /nfs/dbraw/zinc/57/55/40/928575540.db2.gz HZWNFWBJMJLAOR-MRVPVSSYSA-N 1 1 309.330 -1.865 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)[nH]1 ZINC001439015696 928578307 /nfs/dbraw/zinc/57/83/07/928578307.db2.gz XPDMOPXNWACREY-VXNVDRBHSA-N 1 1 319.387 -1.887 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nn1 ZINC001439024333 928579149 /nfs/dbraw/zinc/57/91/49/928579149.db2.gz NEGKYGFWQXSXOZ-GHMZBOCLSA-N 1 1 310.358 -1.997 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nn1 ZINC001439024334 928579514 /nfs/dbraw/zinc/57/95/14/928579514.db2.gz NEGKYGFWQXSXOZ-WDEREUQCSA-N 1 1 310.358 -1.997 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)nn1 ZINC001439020101 928580914 /nfs/dbraw/zinc/58/09/14/928580914.db2.gz OJESGOGBLYTDHZ-GWCFXTLKSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)nn1 ZINC001439020106 928581216 /nfs/dbraw/zinc/58/12/16/928581216.db2.gz OJESGOGBLYTDHZ-MFKMUULPSA-N 1 1 310.358 -1.950 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c(=O)[nH]1 ZINC001439031137 928582167 /nfs/dbraw/zinc/58/21/67/928582167.db2.gz YJVLRPUOIHKHTH-SECBINFHSA-N 1 1 321.341 -1.500 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001439028487 928582936 /nfs/dbraw/zinc/58/29/36/928582936.db2.gz ZQEVVKGTDLAXSD-OGBGREFGSA-N 1 1 310.358 -1.770 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc1 ZINC001439026486 928583238 /nfs/dbraw/zinc/58/32/38/928583238.db2.gz OKKIOVRLLHVUTN-NXEZZACHSA-N 1 1 308.342 -1.967 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439032431 928585381 /nfs/dbraw/zinc/58/53/81/928585381.db2.gz MJJOEBPYDHWQRV-NXEZZACHSA-N 1 1 311.342 -1.387 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnccn1 ZINC001439034725 928586125 /nfs/dbraw/zinc/58/61/25/928586125.db2.gz NGMINRUQTIRTBW-LLVKDONJSA-N 1 1 320.357 -1.800 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439032438 928586212 /nfs/dbraw/zinc/58/62/12/928586212.db2.gz MJJOEBPYDHWQRV-UWVGGRQHSA-N 1 1 311.342 -1.387 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439041203 928589076 /nfs/dbraw/zinc/58/90/76/928589076.db2.gz NTMRHYPZLDPBSJ-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439041203 928589078 /nfs/dbraw/zinc/58/90/78/928589078.db2.gz NTMRHYPZLDPBSJ-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CCn1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001439040894 928589220 /nfs/dbraw/zinc/58/92/20/928589220.db2.gz FMFOXAIRIMIPIQ-WCQYABFASA-N 1 1 310.402 -1.184 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001439044751 928590459 /nfs/dbraw/zinc/59/04/59/928590459.db2.gz LZECPOHECOORIM-LLVKDONJSA-N 1 1 321.385 -1.036 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001439045690 928591875 /nfs/dbraw/zinc/59/18/75/928591875.db2.gz OCTZISMKHAASMG-LLVKDONJSA-N 1 1 307.310 -1.502 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ncccn2)n1 ZINC001439045188 928592327 /nfs/dbraw/zinc/59/23/27/928592327.db2.gz UWTNKWBUWABGEL-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccn(C)c1=O ZINC001439049924 928594759 /nfs/dbraw/zinc/59/47/59/928594759.db2.gz UEVHGCNGNOKLTG-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cn2ccnc2)n1 ZINC001439053714 928594963 /nfs/dbraw/zinc/59/49/63/928594963.db2.gz GNJLRDHBVNTFIL-LBPRGKRZSA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001439058416 928595116 /nfs/dbraw/zinc/59/51/16/928595116.db2.gz QYKMIWWZSYBPRR-VIFPVBQESA-N 1 1 324.341 -1.704 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001439079375 928597193 /nfs/dbraw/zinc/59/71/93/928597193.db2.gz OAHVVBBOXAZBPJ-VHSXEESVSA-N 1 1 309.374 -1.004 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1CCF ZINC001439114752 928598369 /nfs/dbraw/zinc/59/83/69/928598369.db2.gz NPWBAACHSALVRH-SECBINFHSA-N 1 1 315.353 -1.229 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001439124293 928599192 /nfs/dbraw/zinc/59/91/92/928599192.db2.gz BKJDIOLLKYWVOL-SECBINFHSA-N 1 1 308.346 -1.995 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)Cn1cnnn1 ZINC001439189261 928603815 /nfs/dbraw/zinc/60/38/15/928603815.db2.gz RIGAJZUUPOYOIQ-JTQLQIEISA-N 1 1 319.373 -1.031 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001439177158 928604020 /nfs/dbraw/zinc/60/40/20/928604020.db2.gz DTBNOZXFVQJVLQ-SSDOTTSWSA-N 1 1 321.341 -1.179 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001439163387 928604079 /nfs/dbraw/zinc/60/40/79/928604079.db2.gz GVCQGTNDZUPLES-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001439187332 928604150 /nfs/dbraw/zinc/60/41/50/928604150.db2.gz DMVCAASEDACRGF-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001439197430 928604932 /nfs/dbraw/zinc/60/49/32/928604932.db2.gz FACQXZJXCWCIFY-JQWIXIFHSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001439215899 928608041 /nfs/dbraw/zinc/60/80/41/928608041.db2.gz UFRQVTFFOXOPSE-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001439229287 928608329 /nfs/dbraw/zinc/60/83/29/928608329.db2.gz CYYAUTPKUVWBCI-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1ncn[nH]1 ZINC001439264108 928610255 /nfs/dbraw/zinc/61/02/55/928610255.db2.gz IZMNZAXTBBJBRL-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1nc[nH]n1 ZINC001439264108 928610261 /nfs/dbraw/zinc/61/02/61/928610261.db2.gz IZMNZAXTBBJBRL-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439244841 928610440 /nfs/dbraw/zinc/61/04/40/928610440.db2.gz RVVCSOOCTSDYNJ-ZETCQYMHSA-N 1 1 306.330 -1.078 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1cnc[nH]1 ZINC001439252068 928611285 /nfs/dbraw/zinc/61/12/85/928611285.db2.gz LKBQJNVLCWPNGW-NSHDSACASA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001439287331 928611319 /nfs/dbraw/zinc/61/13/19/928611319.db2.gz LJDRSGNULIEQSU-VIFPVBQESA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001439301732 928613280 /nfs/dbraw/zinc/61/32/80/928613280.db2.gz IPQNUNLKDAOIBS-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001439301732 928613287 /nfs/dbraw/zinc/61/32/87/928613287.db2.gz IPQNUNLKDAOIBS-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325729 928613612 /nfs/dbraw/zinc/61/36/12/928613612.db2.gz AJAMGGJTJJPTCN-WDEREUQCSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325729 928613615 /nfs/dbraw/zinc/61/36/15/928613615.db2.gz AJAMGGJTJJPTCN-WDEREUQCSA-N 1 1 316.402 -1.338 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001439328414 928613757 /nfs/dbraw/zinc/61/37/57/928613757.db2.gz OZWQUTWKDUSIBY-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001439328414 928613760 /nfs/dbraw/zinc/61/37/60/928613760.db2.gz OZWQUTWKDUSIBY-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001439301733 928614073 /nfs/dbraw/zinc/61/40/73/928614073.db2.gz IPQNUNLKDAOIBS-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001439301733 928614078 /nfs/dbraw/zinc/61/40/78/928614078.db2.gz IPQNUNLKDAOIBS-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439306338 928614106 /nfs/dbraw/zinc/61/41/06/928614106.db2.gz SJXWLFQDPNRQPL-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)C1=COCCO1 ZINC001439297353 928614223 /nfs/dbraw/zinc/61/42/23/928614223.db2.gz YVAQOSKRSMAYKX-JTQLQIEISA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)C1=COCCO1 ZINC001439297353 928614230 /nfs/dbraw/zinc/61/42/30/928614230.db2.gz YVAQOSKRSMAYKX-JTQLQIEISA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322667 928614378 /nfs/dbraw/zinc/61/43/78/928614378.db2.gz UVJWPHHJEPXYOD-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322667 928614386 /nfs/dbraw/zinc/61/43/86/928614386.db2.gz UVJWPHHJEPXYOD-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330554 928614524 /nfs/dbraw/zinc/61/45/24/928614524.db2.gz LSDDPQWERGGQNO-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330554 928614535 /nfs/dbraw/zinc/61/45/35/928614535.db2.gz LSDDPQWERGGQNO-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001439297543 928614620 /nfs/dbraw/zinc/61/46/20/928614620.db2.gz UNDOCJFOAXIRPV-GXSJLCMTSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001439349680 928615700 /nfs/dbraw/zinc/61/57/00/928615700.db2.gz AGHXMYGYKGPGJG-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001439349680 928615705 /nfs/dbraw/zinc/61/57/05/928615705.db2.gz AGHXMYGYKGPGJG-DTWKUNHWSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439335203 928616387 /nfs/dbraw/zinc/61/63/87/928616387.db2.gz VVZNWNTURXSVDR-LLVKDONJSA-N 1 1 312.370 -1.634 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350021 928616593 /nfs/dbraw/zinc/61/65/93/928616593.db2.gz BTKRNSHOKGDAJE-MNOVXSKESA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350021 928616598 /nfs/dbraw/zinc/61/65/98/928616598.db2.gz BTKRNSHOKGDAJE-MNOVXSKESA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350026 928616667 /nfs/dbraw/zinc/61/66/67/928616667.db2.gz BTKRNSHOKGDAJE-WDEREUQCSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350026 928616673 /nfs/dbraw/zinc/61/66/73/928616673.db2.gz BTKRNSHOKGDAJE-WDEREUQCSA-N 1 1 313.402 -2.011 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355062 928616834 /nfs/dbraw/zinc/61/68/34/928616834.db2.gz DGWWOGGRURUIFE-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355062 928616843 /nfs/dbraw/zinc/61/68/43/928616843.db2.gz DGWWOGGRURUIFE-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439370273 928617376 /nfs/dbraw/zinc/61/73/76/928617376.db2.gz MPHYEZGBIAWBEA-HLTSFMKQSA-N 1 1 313.358 -2.000 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439370273 928617384 /nfs/dbraw/zinc/61/73/84/928617384.db2.gz MPHYEZGBIAWBEA-HLTSFMKQSA-N 1 1 313.358 -2.000 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)CC(=O)NC)C1 ZINC001439407689 928618202 /nfs/dbraw/zinc/61/82/02/928618202.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)CC(=O)NC)C1 ZINC001439407689 928618209 /nfs/dbraw/zinc/61/82/09/928618209.db2.gz NYHUZEXEMNVUOQ-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001439391447 928618363 /nfs/dbraw/zinc/61/83/63/928618363.db2.gz XSKVJBCPPOCINH-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001439391447 928618375 /nfs/dbraw/zinc/61/83/75/928618375.db2.gz XSKVJBCPPOCINH-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001439386885 928618506 /nfs/dbraw/zinc/61/85/06/928618506.db2.gz FTVOBVNTFMOVME-VHSXEESVSA-N 1 1 313.362 -2.393 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400217 928619044 /nfs/dbraw/zinc/61/90/44/928619044.db2.gz SBKQQWBAJPWWTQ-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400217 928619051 /nfs/dbraw/zinc/61/90/51/928619051.db2.gz SBKQQWBAJPWWTQ-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nnc[nH]1 ZINC001439384381 928619258 /nfs/dbraw/zinc/61/92/58/928619258.db2.gz NPLNBNQDRWAYAW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ncn[nH]1 ZINC001439384381 928619265 /nfs/dbraw/zinc/61/92/65/928619265.db2.gz NPLNBNQDRWAYAW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ncn[nH]1 ZINC001439384381 928619273 /nfs/dbraw/zinc/61/92/73/928619273.db2.gz NPLNBNQDRWAYAW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nc[nH]n1 ZINC001439384381 928619281 /nfs/dbraw/zinc/61/92/81/928619281.db2.gz NPLNBNQDRWAYAW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nc[nH]n1 ZINC001439384381 928619286 /nfs/dbraw/zinc/61/92/86/928619286.db2.gz NPLNBNQDRWAYAW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO COc1ccc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001439387816 928619390 /nfs/dbraw/zinc/61/93/90/928619390.db2.gz OLGODZVNCPFYPV-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001439387816 928619395 /nfs/dbraw/zinc/61/93/95/928619395.db2.gz OLGODZVNCPFYPV-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001439407138 928619484 /nfs/dbraw/zinc/61/94/84/928619484.db2.gz JNULIYXWVQCBJV-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001439407138 928619488 /nfs/dbraw/zinc/61/94/88/928619488.db2.gz JNULIYXWVQCBJV-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ccnc1 ZINC001439400239 928619501 /nfs/dbraw/zinc/61/95/01/928619501.db2.gz AQHIPQVLDJEENB-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ccnc1 ZINC001439400239 928619507 /nfs/dbraw/zinc/61/95/07/928619507.db2.gz AQHIPQVLDJEENB-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO CNC(=O)CN(C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383403 928619621 /nfs/dbraw/zinc/61/96/21/928619621.db2.gz FZVVZYGIELGJPQ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ncccn1 ZINC001439383296 928619651 /nfs/dbraw/zinc/61/96/51/928619651.db2.gz MOFITGZHCUENOK-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncccn1 ZINC001439383296 928619657 /nfs/dbraw/zinc/61/96/57/928619657.db2.gz MOFITGZHCUENOK-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001439443195 928620891 /nfs/dbraw/zinc/62/08/91/928620891.db2.gz WIPRIHPYLSOAND-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001439477181 928623363 /nfs/dbraw/zinc/62/33/63/928623363.db2.gz YRDSUNRSADRUTR-NWDGAFQWSA-N 1 1 321.385 -1.036 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001439479600 928623977 /nfs/dbraw/zinc/62/39/77/928623977.db2.gz VXIABYFQSJEPPO-VIFPVBQESA-N 1 1 305.346 -1.065 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514530 928624072 /nfs/dbraw/zinc/62/40/72/928624072.db2.gz NHLXEDPADGAAPU-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514530 928624081 /nfs/dbraw/zinc/62/40/81/928624081.db2.gz NHLXEDPADGAAPU-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439540888 928629436 /nfs/dbraw/zinc/62/94/36/928629436.db2.gz VEXVVZIODSEWCO-NWDGAFQWSA-N 1 1 324.381 -1.228 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563806 928630796 /nfs/dbraw/zinc/63/07/96/928630796.db2.gz FGQOKLFPCGYHNM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563806 928630808 /nfs/dbraw/zinc/63/08/08/928630808.db2.gz FGQOKLFPCGYHNM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1ccc(C[NH2+]C2(CNC(=O)Cn3ncn(C)c3=O)CC2)n1 ZINC001439622735 928635256 /nfs/dbraw/zinc/63/52/56/928635256.db2.gz BBTDWXCYIGZCSI-UHFFFAOYSA-N 1 1 319.369 -1.246 20 0 DAADMO Cn1[nH]c(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC001439666452 928636233 /nfs/dbraw/zinc/63/62/33/928636233.db2.gz FDFPOXSXSBZMJL-JTQLQIEISA-N 1 1 308.386 -1.202 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001439640921 928637228 /nfs/dbraw/zinc/63/72/28/928637228.db2.gz JTQFHLZUTGDBPR-UHFFFAOYSA-N 1 1 324.341 -1.567 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)COC)CC2)C1 ZINC001439825447 928642927 /nfs/dbraw/zinc/64/29/27/928642927.db2.gz CIJWZTNEJZDXLK-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001439765635 928643820 /nfs/dbraw/zinc/64/38/20/928643820.db2.gz OPWVTPVTDKRGQN-ONGXEEELSA-N 1 1 309.374 -1.185 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001439767164 928644030 /nfs/dbraw/zinc/64/40/30/928644030.db2.gz MNIQSXDUJCACPB-VIFPVBQESA-N 1 1 311.346 -1.353 20 0 DAADMO C[C@]1(NC(=O)CCn2ccnn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439849744 928644902 /nfs/dbraw/zinc/64/49/02/928644902.db2.gz KSAGPDOZLWHQIZ-ZDUSSCGKSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@]1(NC(=O)CCn2ccnn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439849744 928644910 /nfs/dbraw/zinc/64/49/10/928644910.db2.gz KSAGPDOZLWHQIZ-ZDUSSCGKSA-N 1 1 323.357 -1.556 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCOC)C1 ZINC001439854988 928645442 /nfs/dbraw/zinc/64/54/42/928645442.db2.gz OGIJXYYNHOYGFX-NSHDSACASA-N 1 1 308.404 -1.733 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848773 928646389 /nfs/dbraw/zinc/64/63/89/928646389.db2.gz IQQKDXVHBOQROH-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001439828951 928646410 /nfs/dbraw/zinc/64/64/10/928646410.db2.gz MFTVTFLTYYUBLF-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001439828656 928646480 /nfs/dbraw/zinc/64/64/80/928646480.db2.gz KHNJNBOZVSYZQA-CQSZACIVSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001439854066 928646781 /nfs/dbraw/zinc/64/67/81/928646781.db2.gz ZEJANCZSAUWRQN-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860613 928648532 /nfs/dbraw/zinc/64/85/32/928648532.db2.gz ZIKPGXQGBZWESQ-TVQRCGJNSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860613 928648536 /nfs/dbraw/zinc/64/85/36/928648536.db2.gz ZIKPGXQGBZWESQ-TVQRCGJNSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860609 928648648 /nfs/dbraw/zinc/64/86/48/928648648.db2.gz ZIKPGXQGBZWESQ-RNCFNFMXSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860609 928648653 /nfs/dbraw/zinc/64/86/53/928648653.db2.gz ZIKPGXQGBZWESQ-RNCFNFMXSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001439928367 928648666 /nfs/dbraw/zinc/64/86/66/928648666.db2.gz BSLOIPGANKMKIE-GWCFXTLKSA-N 1 1 309.374 -1.235 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001439870149 928649704 /nfs/dbraw/zinc/64/97/04/928649704.db2.gz QMFLHOYWNJFEMF-ZDUSSCGKSA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001439976663 928650443 /nfs/dbraw/zinc/65/04/43/928650443.db2.gz DNTQHUDLWFSKRQ-DZGCQCFKSA-N 1 1 322.413 -1.038 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001439970350 928650522 /nfs/dbraw/zinc/65/05/22/928650522.db2.gz DNKMXBNULMQGCU-ISVAXAHUSA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001439970350 928650529 /nfs/dbraw/zinc/65/05/29/928650529.db2.gz DNKMXBNULMQGCU-ISVAXAHUSA-N 1 1 311.342 -1.653 20 0 DAADMO Nc1nccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439977325 928651117 /nfs/dbraw/zinc/65/11/17/928651117.db2.gz DVUGDZAUTSESII-YMTOWFKASA-N 1 1 320.353 -1.886 20 0 DAADMO Nc1nccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439977325 928651121 /nfs/dbraw/zinc/65/11/21/928651121.db2.gz DVUGDZAUTSESII-YMTOWFKASA-N 1 1 320.353 -1.886 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976105 928651519 /nfs/dbraw/zinc/65/15/19/928651519.db2.gz MQTNXMCQDILGFG-YGRLFVJLSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976105 928651528 /nfs/dbraw/zinc/65/15/28/928651528.db2.gz MQTNXMCQDILGFG-YGRLFVJLSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976101 928651981 /nfs/dbraw/zinc/65/19/81/928651981.db2.gz MQTNXMCQDILGFG-IINYFYTJSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976101 928651988 /nfs/dbraw/zinc/65/19/88/928651988.db2.gz MQTNXMCQDILGFG-IINYFYTJSA-N 1 1 315.370 -1.434 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001439978335 928653482 /nfs/dbraw/zinc/65/34/82/928653482.db2.gz NGIYAAZWBJYFLP-FZMZJTMJSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981340 928653777 /nfs/dbraw/zinc/65/37/77/928653777.db2.gz YFCVQENQJRLPJS-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981340 928653781 /nfs/dbraw/zinc/65/37/81/928653781.db2.gz YFCVQENQJRLPJS-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001439980599 928654106 /nfs/dbraw/zinc/65/41/06/928654106.db2.gz UTPNHMPLQWVXRG-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001439980599 928654113 /nfs/dbraw/zinc/65/41/13/928654113.db2.gz UTPNHMPLQWVXRG-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439983017 928654157 /nfs/dbraw/zinc/65/41/57/928654157.db2.gz OTAHZTXFNFMESV-BXUZGUMPSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439983017 928654163 /nfs/dbraw/zinc/65/41/63/928654163.db2.gz OTAHZTXFNFMESV-BXUZGUMPSA-N 1 1 322.369 -1.853 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439981907 928654204 /nfs/dbraw/zinc/65/42/04/928654204.db2.gz OALGEHZFCOVXHP-HNNXBMFYSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439981907 928654208 /nfs/dbraw/zinc/65/42/08/928654208.db2.gz OALGEHZFCOVXHP-HNNXBMFYSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439982826 928654730 /nfs/dbraw/zinc/65/47/30/928654730.db2.gz OEEJMBDWISQSOF-IUODEOHRSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439982826 928654736 /nfs/dbraw/zinc/65/47/36/928654736.db2.gz OEEJMBDWISQSOF-IUODEOHRSA-N 1 1 321.381 -1.248 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001439980706 928654900 /nfs/dbraw/zinc/65/49/00/928654900.db2.gz UYNQOAPOFZMCIF-IAQYHMDHSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001439980706 928654907 /nfs/dbraw/zinc/65/49/07/928654907.db2.gz UYNQOAPOFZMCIF-IAQYHMDHSA-N 1 1 323.397 -1.002 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001439981535 928655162 /nfs/dbraw/zinc/65/51/62/928655162.db2.gz JRFYQIPYMIKWHC-RISCZKNCSA-N 1 1 314.386 -1.718 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001439980208 928655225 /nfs/dbraw/zinc/65/52/25/928655225.db2.gz IKKOKTAQZYHXJG-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001439980208 928655231 /nfs/dbraw/zinc/65/52/31/928655231.db2.gz IKKOKTAQZYHXJG-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccon1 ZINC001439981361 928655285 /nfs/dbraw/zinc/65/52/85/928655285.db2.gz KDFHACYWOBOUCO-CQSZACIVSA-N 1 1 323.353 -1.134 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001439982945 928655347 /nfs/dbraw/zinc/65/53/47/928655347.db2.gz OOVJBNCPEDROOD-CQSZACIVSA-N 1 1 309.370 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001439982945 928655355 /nfs/dbraw/zinc/65/53/55/928655355.db2.gz OOVJBNCPEDROOD-CQSZACIVSA-N 1 1 309.370 -1.061 20 0 DAADMO Cc1occc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439984731 928656773 /nfs/dbraw/zinc/65/67/73/928656773.db2.gz UZBANRSKXUJCBD-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1occc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439984731 928656778 /nfs/dbraw/zinc/65/67/78/928656778.db2.gz UZBANRSKXUJCBD-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001439984141 928657047 /nfs/dbraw/zinc/65/70/47/928657047.db2.gz YTBATQMGKHKBHF-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987250 928657616 /nfs/dbraw/zinc/65/76/16/928657616.db2.gz UTIRCUBULGLXLF-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987250 928657624 /nfs/dbraw/zinc/65/76/24/928657624.db2.gz UTIRCUBULGLXLF-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(OC)ncn2)C1 ZINC001439987783 928657670 /nfs/dbraw/zinc/65/76/70/928657670.db2.gz HGLHHWJKJUEHMM-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(OC)ncn2)C1 ZINC001439987783 928657682 /nfs/dbraw/zinc/65/76/82/928657682.db2.gz HGLHHWJKJUEHMM-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439983550 928658064 /nfs/dbraw/zinc/65/80/64/928658064.db2.gz RCROPCBVRDVAQT-SWLSCSKDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439983555 928658464 /nfs/dbraw/zinc/65/84/64/928658464.db2.gz RCROPCBVRDVAQT-WFASDCNBSA-N 1 1 323.397 -1.087 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cn2c(n1)COCC2 ZINC001439992591 928659359 /nfs/dbraw/zinc/65/93/59/928659359.db2.gz MKZBHGQBXZQRIB-OAHLLOKOSA-N 1 1 324.381 -1.038 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992426 928659381 /nfs/dbraw/zinc/65/93/81/928659381.db2.gz LZSUQEDBNSJBME-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992438 928659494 /nfs/dbraw/zinc/65/94/94/928659494.db2.gz LZSUQEDBNSJBME-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001439996988 928659843 /nfs/dbraw/zinc/65/98/43/928659843.db2.gz ZWNRAMYATIOCIC-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001439991997 928659897 /nfs/dbraw/zinc/65/98/97/928659897.db2.gz OAJHNVJFAUCWDC-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001439991997 928659905 /nfs/dbraw/zinc/65/99/05/928659905.db2.gz OAJHNVJFAUCWDC-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@]12C[C@H]1COC2 ZINC001439989511 928660107 /nfs/dbraw/zinc/66/01/07/928660107.db2.gz NVZSPZVSYWSIEL-CFVMTHIKSA-N 1 1 321.381 -1.132 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cn1C ZINC001439995262 928660198 /nfs/dbraw/zinc/66/01/98/928660198.db2.gz XHSDZXUKWFPOOX-OAHLLOKOSA-N 1 1 309.366 -1.147 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001439997719 928660335 /nfs/dbraw/zinc/66/03/35/928660335.db2.gz FQQYPSMVFFQFEU-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001439997719 928660351 /nfs/dbraw/zinc/66/03/51/928660351.db2.gz FQQYPSMVFFQFEU-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001439996617 928660889 /nfs/dbraw/zinc/66/08/89/928660889.db2.gz DOYCJFHNSJERMT-HZMBPMFUSA-N 1 1 324.385 -1.244 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001439991802 928660997 /nfs/dbraw/zinc/66/09/97/928660997.db2.gz RVIXWZICVOSTKQ-CYBMUJFWSA-N 1 1 314.342 -3.117 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001439991802 928661001 /nfs/dbraw/zinc/66/10/01/928661001.db2.gz RVIXWZICVOSTKQ-CYBMUJFWSA-N 1 1 314.342 -3.117 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439989480 928661027 /nfs/dbraw/zinc/66/10/27/928661027.db2.gz LYRDHHRDTCZBOE-NOZJJQNGSA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439989480 928661032 /nfs/dbraw/zinc/66/10/32/928661032.db2.gz LYRDHHRDTCZBOE-NOZJJQNGSA-N 1 1 313.358 -2.643 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001439991994 928661072 /nfs/dbraw/zinc/66/10/72/928661072.db2.gz OAJHNVJFAUCWDC-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001439991994 928661077 /nfs/dbraw/zinc/66/10/77/928661077.db2.gz OAJHNVJFAUCWDC-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1ccnc2n[nH]nc21 ZINC001440001505 928662649 /nfs/dbraw/zinc/66/26/49/928662649.db2.gz PIGGIJAXDOGBSK-AWEZNQCLSA-N 1 1 320.353 -1.098 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001440007869 928662694 /nfs/dbraw/zinc/66/26/94/928662694.db2.gz HAUBRKBZASYRCW-ZANVPECISA-N 1 1 313.358 -2.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001440007869 928662706 /nfs/dbraw/zinc/66/27/06/928662706.db2.gz HAUBRKBZASYRCW-ZANVPECISA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(OC)n2)C1 ZINC001440000306 928662778 /nfs/dbraw/zinc/66/27/78/928662778.db2.gz MSNZMLWHYAAPPM-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(OC)n2)C1 ZINC001440000306 928662785 /nfs/dbraw/zinc/66/27/85/928662785.db2.gz MSNZMLWHYAAPPM-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3ccccc23)C1 ZINC001440007445 928663350 /nfs/dbraw/zinc/66/33/50/928663350.db2.gz KGHDSEWXUBGHLH-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3ccccc23)C1 ZINC001440007445 928663353 /nfs/dbraw/zinc/66/33/53/928663353.db2.gz KGHDSEWXUBGHLH-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)c1cn[nH]n1 ZINC001440003222 928663359 /nfs/dbraw/zinc/66/33/59/928663359.db2.gz NDHIRSVXGBRRMA-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)c1cnn[nH]1 ZINC001440003222 928663363 /nfs/dbraw/zinc/66/33/63/928663363.db2.gz NDHIRSVXGBRRMA-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)c1cnn[nH]1 ZINC001440003222 928663368 /nfs/dbraw/zinc/66/33/68/928663368.db2.gz NDHIRSVXGBRRMA-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440006422 928663426 /nfs/dbraw/zinc/66/34/26/928663426.db2.gz HNZWONWNLSINHN-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440006422 928663430 /nfs/dbraw/zinc/66/34/30/928663430.db2.gz HNZWONWNLSINHN-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1ccc2nnnn2c1 ZINC001440003025 928663558 /nfs/dbraw/zinc/66/35/58/928663558.db2.gz SRKQJSHRJZABCP-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cncn3)C2)C1=O ZINC001440023544 928668795 /nfs/dbraw/zinc/66/87/95/928668795.db2.gz NAGIIVGOYLCPEO-RISCZKNCSA-N 1 1 322.369 -1.938 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001440020740 928669012 /nfs/dbraw/zinc/66/90/12/928669012.db2.gz SOCLPJRSNSCTFR-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001440021835 928669049 /nfs/dbraw/zinc/66/90/49/928669049.db2.gz VVNLPCCHYWODOD-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001440021835 928669054 /nfs/dbraw/zinc/66/90/54/928669054.db2.gz VVNLPCCHYWODOD-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)O1 ZINC001440019271 928669582 /nfs/dbraw/zinc/66/95/82/928669582.db2.gz SRYIBVFGQLHJEN-OPQQBVKSSA-N 1 1 303.334 -1.458 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)O1 ZINC001440019271 928669589 /nfs/dbraw/zinc/66/95/89/928669589.db2.gz SRYIBVFGQLHJEN-OPQQBVKSSA-N 1 1 303.334 -1.458 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001440021498 928669682 /nfs/dbraw/zinc/66/96/82/928669682.db2.gz IAUYNDPGHROXFZ-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001440021498 928669692 /nfs/dbraw/zinc/66/96/92/928669692.db2.gz IAUYNDPGHROXFZ-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001440017351 928669711 /nfs/dbraw/zinc/66/97/11/928669711.db2.gz URLXMFLTCRYFIO-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001440019711 928670247 /nfs/dbraw/zinc/67/02/47/928670247.db2.gz ZDRKKQGMCKWRSJ-FZMZJTMJSA-N 1 1 300.403 -1.245 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440025366 928672495 /nfs/dbraw/zinc/67/24/95/928672495.db2.gz WEYOCNVAOWTJQO-GWCFXTLKSA-N 1 1 308.342 -2.280 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440025366 928672503 /nfs/dbraw/zinc/67/25/03/928672503.db2.gz WEYOCNVAOWTJQO-GWCFXTLKSA-N 1 1 308.342 -2.280 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035716 928674379 /nfs/dbraw/zinc/67/43/79/928674379.db2.gz ULPMZJFNQIPNQE-TVQRCGJNSA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035716 928674384 /nfs/dbraw/zinc/67/43/84/928674384.db2.gz ULPMZJFNQIPNQE-TVQRCGJNSA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032615 928674460 /nfs/dbraw/zinc/67/44/60/928674460.db2.gz NIMGVHSAZCFCHN-HZMBPMFUSA-N 1 1 324.385 -1.826 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032615 928674464 /nfs/dbraw/zinc/67/44/64/928674464.db2.gz NIMGVHSAZCFCHN-HZMBPMFUSA-N 1 1 324.385 -1.826 20 0 DAADMO CN(C(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001440038183 928676948 /nfs/dbraw/zinc/67/69/48/928676948.db2.gz IYBZMAWBNKLZFO-CYBMUJFWSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)co1 ZINC001440041982 928678950 /nfs/dbraw/zinc/67/89/50/928678950.db2.gz MCWBUPDHULTGTL-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001440041982 928678954 /nfs/dbraw/zinc/67/89/54/928678954.db2.gz MCWBUPDHULTGTL-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001440058004 928684017 /nfs/dbraw/zinc/68/40/17/928684017.db2.gz SXEVCOACUMYTFE-RYUDHWBXSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCC(=O)NC1 ZINC001440064416 928685596 /nfs/dbraw/zinc/68/55/96/928685596.db2.gz WCOTTZMXHSDXBI-RYUDHWBXSA-N 1 1 311.382 -1.288 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001440074584 928688416 /nfs/dbraw/zinc/68/84/16/928688416.db2.gz WDPYLAALOPFLIN-UHFFFAOYSA-N 1 1 305.400 -1.372 20 0 DAADMO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001440080262 928689763 /nfs/dbraw/zinc/68/97/63/928689763.db2.gz ZXEFZHHBRQAAGJ-VXGBXAGGSA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001440080258 928690613 /nfs/dbraw/zinc/69/06/13/928690613.db2.gz ZXEFZHHBRQAAGJ-RYUDHWBXSA-N 1 1 302.371 -1.153 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2cnn(C)n2)C1 ZINC001440083234 928690626 /nfs/dbraw/zinc/69/06/26/928690626.db2.gz BQDGACATOFEVQE-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)NC(N)=O)C1 ZINC001440086134 928691251 /nfs/dbraw/zinc/69/12/51/928691251.db2.gz ANMANLQSVYFARX-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001440094772 928694813 /nfs/dbraw/zinc/69/48/13/928694813.db2.gz JVTSJIJFUAORLU-NSHDSACASA-N 1 1 319.427 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001440095985 928694972 /nfs/dbraw/zinc/69/49/72/928694972.db2.gz WYEVGLVBEJBMGG-SNVBAGLBSA-N 1 1 300.359 -2.645 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001440095985 928694979 /nfs/dbraw/zinc/69/49/79/928694979.db2.gz WYEVGLVBEJBMGG-SNVBAGLBSA-N 1 1 300.359 -2.645 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001440131098 928696502 /nfs/dbraw/zinc/69/65/02/928696502.db2.gz APBFLWTZVWKHKQ-AOOOYVTPSA-N 1 1 311.342 -2.292 20 0 DAADMO CCO[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001440146402 928697105 /nfs/dbraw/zinc/69/71/05/928697105.db2.gz FODGRIRQBLEYJD-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C1 ZINC001440146507 928697302 /nfs/dbraw/zinc/69/73/02/928697302.db2.gz GHSMMXPCHWMITB-MXWKQRLJSA-N 1 1 312.370 -1.133 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nccnc2N)C1 ZINC001440167983 928699002 /nfs/dbraw/zinc/69/90/02/928699002.db2.gz ZLNGMCPZQNKTAM-IINYFYTJSA-N 1 1 309.370 -1.004 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171645 928699451 /nfs/dbraw/zinc/69/94/51/928699451.db2.gz DDBXWHUVQZYNIC-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171645 928699456 /nfs/dbraw/zinc/69/94/56/928699456.db2.gz DDBXWHUVQZYNIC-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440171927 928699804 /nfs/dbraw/zinc/69/98/04/928699804.db2.gz JLRKDVIBCOMXSY-FZMZJTMJSA-N 1 1 301.387 -1.164 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001440185682 928700734 /nfs/dbraw/zinc/70/07/34/928700734.db2.gz DCPGZUCNLHCIRD-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)NC(N)=O ZINC001440181246 928700890 /nfs/dbraw/zinc/70/08/90/928700890.db2.gz YNNWGUWRTXUROR-GWCFXTLKSA-N 1 1 302.375 -1.631 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001440186428 928701016 /nfs/dbraw/zinc/70/10/16/928701016.db2.gz BOIBNARFOVJOOW-NHYWBVRUSA-N 1 1 324.381 -1.282 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001440181785 928701401 /nfs/dbraw/zinc/70/14/01/928701401.db2.gz AEIMMPJTNIXYLE-MNOVXSKESA-N 1 1 320.415 -1.902 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176479 928701516 /nfs/dbraw/zinc/70/15/16/928701516.db2.gz QUZMLQHVWHTJFG-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@@H+](CC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001440184394 928701812 /nfs/dbraw/zinc/70/18/12/928701812.db2.gz JFDBCUCJQGMRHM-NHYWBVRUSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCO1)c1nnnn1C ZINC001440199518 928704708 /nfs/dbraw/zinc/70/47/08/928704708.db2.gz LQOYRHJXCSBMOD-GHMZBOCLSA-N 1 1 312.374 -1.139 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]n1)c1nncn1C ZINC001440207716 928706910 /nfs/dbraw/zinc/70/69/10/928706910.db2.gz PMKRTOLPDULPJQ-VIFPVBQESA-N 1 1 308.346 -1.282 20 0 DAADMO CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001440260810 928711771 /nfs/dbraw/zinc/71/17/71/928711771.db2.gz HNZPSBMEBRLABX-LLVKDONJSA-N 1 1 309.374 -1.183 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001440383998 928719666 /nfs/dbraw/zinc/71/96/66/928719666.db2.gz FQZLREJAIIFGDX-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001440403992 928719907 /nfs/dbraw/zinc/71/99/07/928719907.db2.gz NWHQYZNUDOFVGP-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)N1CC[C@H]([NH+]2CCN(CCNS(C)(=O)=O)CC2)C1 ZINC001440392038 928720302 /nfs/dbraw/zinc/72/03/02/928720302.db2.gz KSVAKSXGVNSRPN-ZDUSSCGKSA-N 1 1 318.443 -1.226 20 0 DAADMO CC(=O)N1CC[C@@H]([NH+]2CCN(CCNS(C)(=O)=O)CC2)C1 ZINC001440392031 928720774 /nfs/dbraw/zinc/72/07/74/928720774.db2.gz KSVAKSXGVNSRPN-CYBMUJFWSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)CN1CCCS1(=O)=O ZINC001440437857 928722178 /nfs/dbraw/zinc/72/21/78/928722178.db2.gz OYGIXPJKMJBYOR-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001440441315 928723010 /nfs/dbraw/zinc/72/30/10/928723010.db2.gz BRZQDXUHUSHLQP-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001440441315 928723017 /nfs/dbraw/zinc/72/30/17/928723017.db2.gz BRZQDXUHUSHLQP-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001440452344 928723279 /nfs/dbraw/zinc/72/32/79/928723279.db2.gz RHXCZSIYSWMXIC-NEPJUHHUSA-N 1 1 319.427 -1.302 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001440438250 928723453 /nfs/dbraw/zinc/72/34/53/928723453.db2.gz UYPNGUZRWUNKOR-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001440443257 928723952 /nfs/dbraw/zinc/72/39/52/928723952.db2.gz DVAOCMWDACPKAV-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001440443257 928723958 /nfs/dbraw/zinc/72/39/58/928723958.db2.gz DVAOCMWDACPKAV-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001440445494 928724136 /nfs/dbraw/zinc/72/41/36/928724136.db2.gz BQFVQHOYSGIDCV-QWHCGFSZSA-N 1 1 313.398 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001440479090 928725005 /nfs/dbraw/zinc/72/50/05/928725005.db2.gz FLQCZRXZZOBEPN-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001440457787 928725217 /nfs/dbraw/zinc/72/52/17/928725217.db2.gz VJHWFCQSDTUBGA-VHSXEESVSA-N 1 1 314.342 -2.135 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001440457787 928725221 /nfs/dbraw/zinc/72/52/21/928725221.db2.gz VJHWFCQSDTUBGA-VHSXEESVSA-N 1 1 314.342 -2.135 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001440492329 928725299 /nfs/dbraw/zinc/72/52/99/928725299.db2.gz HBRRQWYIANMDEK-OUAUKWLOSA-N 1 1 311.386 -1.275 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001440492329 928725305 /nfs/dbraw/zinc/72/53/05/928725305.db2.gz HBRRQWYIANMDEK-OUAUKWLOSA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C)C(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001440458308 928725393 /nfs/dbraw/zinc/72/53/93/928725393.db2.gz SJIOMNJBJUYNBI-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001440458308 928725398 /nfs/dbraw/zinc/72/53/98/928725398.db2.gz SJIOMNJBJUYNBI-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001440486723 928726329 /nfs/dbraw/zinc/72/63/29/928726329.db2.gz QKHJEAWHDGZDMM-MNOVXSKESA-N 1 1 309.374 -1.223 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001440486723 928726334 /nfs/dbraw/zinc/72/63/34/928726334.db2.gz QKHJEAWHDGZDMM-MNOVXSKESA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001440664775 928737252 /nfs/dbraw/zinc/73/72/52/928737252.db2.gz SAVXMDVIBBAUKA-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440637135 928737992 /nfs/dbraw/zinc/73/79/92/928737992.db2.gz POJNUGHPAAHGHM-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440637135 928738000 /nfs/dbraw/zinc/73/80/00/928738000.db2.gz POJNUGHPAAHGHM-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440637895 928738459 /nfs/dbraw/zinc/73/84/59/928738459.db2.gz OESGUQYHBPGDIT-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440637895 928738467 /nfs/dbraw/zinc/73/84/67/928738467.db2.gz OESGUQYHBPGDIT-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](CCNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001440670671 928738613 /nfs/dbraw/zinc/73/86/13/928738613.db2.gz WAARILBTSNTJER-ZANVPECISA-N 1 1 309.374 -1.137 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001440717669 928740715 /nfs/dbraw/zinc/74/07/15/928740715.db2.gz ASKSBELHGFHVGN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001440717669 928740721 /nfs/dbraw/zinc/74/07/21/928740721.db2.gz ASKSBELHGFHVGN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001440723674 928741250 /nfs/dbraw/zinc/74/12/50/928741250.db2.gz IANGRVGCPFCHQR-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724124 928741354 /nfs/dbraw/zinc/74/13/54/928741354.db2.gz TXOLVHMDWOZGSR-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724124 928741360 /nfs/dbraw/zinc/74/13/60/928741360.db2.gz TXOLVHMDWOZGSR-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CCCC(N)=O)C2)n1 ZINC001440761986 928743467 /nfs/dbraw/zinc/74/34/67/928743467.db2.gz FPPFFSHRAUBKPG-UHFFFAOYSA-N 1 1 309.374 -1.150 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001440777686 928743514 /nfs/dbraw/zinc/74/35/14/928743514.db2.gz HMCGZQXOYMVEEY-BDAKNGLRSA-N 1 1 309.374 -1.281 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001440738950 928743731 /nfs/dbraw/zinc/74/37/31/928743731.db2.gz TVCGEAVWYOELFD-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440804610 928746120 /nfs/dbraw/zinc/74/61/20/928746120.db2.gz VEKWAJBHCXQLFH-VHSXEESVSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001440824635 928746616 /nfs/dbraw/zinc/74/66/16/928746616.db2.gz XQCMZRTWWJJZJP-SFYZADRCSA-N 1 1 306.330 -1.410 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)n1C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001440816394 928746704 /nfs/dbraw/zinc/74/67/04/928746704.db2.gz KEUGQCWKONVZIT-HTQZYQBOSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001440906591 928747991 /nfs/dbraw/zinc/74/79/91/928747991.db2.gz HVQQZIOWLFUSRU-IUCAKERBSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001440906591 928747999 /nfs/dbraw/zinc/74/79/99/928747999.db2.gz HVQQZIOWLFUSRU-IUCAKERBSA-N 1 1 323.419 -1.971 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440916973 928748287 /nfs/dbraw/zinc/74/82/87/928748287.db2.gz WUUJFQCHRHTLLO-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440916973 928748291 /nfs/dbraw/zinc/74/82/91/928748291.db2.gz WUUJFQCHRHTLLO-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440916978 928748582 /nfs/dbraw/zinc/74/85/82/928748582.db2.gz WUUJFQCHRHTLLO-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440916978 928748584 /nfs/dbraw/zinc/74/85/84/928748584.db2.gz WUUJFQCHRHTLLO-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440927098 928748994 /nfs/dbraw/zinc/74/89/94/928748994.db2.gz VQJIWZPMYCROFX-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440927107 928749140 /nfs/dbraw/zinc/74/91/40/928749140.db2.gz VQJIWZPMYCROFX-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440902992 928749413 /nfs/dbraw/zinc/74/94/13/928749413.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440902992 928749422 /nfs/dbraw/zinc/74/94/22/928749422.db2.gz JIBZAAVLLNTSBX-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001440929099 928750672 /nfs/dbraw/zinc/75/06/72/928750672.db2.gz QQQTXXRARRYEMQ-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001440957122 928751133 /nfs/dbraw/zinc/75/11/33/928751133.db2.gz RKTSYJATHGSVJP-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931083 928751174 /nfs/dbraw/zinc/75/11/74/928751174.db2.gz TZKNSTRTYMJGSJ-GHMZBOCLSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931083 928751179 /nfs/dbraw/zinc/75/11/79/928751179.db2.gz TZKNSTRTYMJGSJ-GHMZBOCLSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931089 928751367 /nfs/dbraw/zinc/75/13/67/928751367.db2.gz TZKNSTRTYMJGSJ-QWRGUYRKSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931089 928751371 /nfs/dbraw/zinc/75/13/71/928751371.db2.gz TZKNSTRTYMJGSJ-QWRGUYRKSA-N 1 1 316.402 -1.338 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001440933235 928751400 /nfs/dbraw/zinc/75/14/00/928751400.db2.gz YVBISJDSOFNJBU-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001440933235 928751405 /nfs/dbraw/zinc/75/14/05/928751405.db2.gz YVBISJDSOFNJBU-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001440929100 928751461 /nfs/dbraw/zinc/75/14/61/928751461.db2.gz QQQTXXRARRYEMQ-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931092 928751481 /nfs/dbraw/zinc/75/14/81/928751481.db2.gz TZKNSTRTYMJGSJ-WDEREUQCSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931092 928751482 /nfs/dbraw/zinc/75/14/82/928751482.db2.gz TZKNSTRTYMJGSJ-WDEREUQCSA-N 1 1 316.402 -1.338 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001440933236 928751529 /nfs/dbraw/zinc/75/15/29/928751529.db2.gz YVBISJDSOFNJBU-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001440933236 928751532 /nfs/dbraw/zinc/75/15/32/928751532.db2.gz YVBISJDSOFNJBU-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001440933240 928752247 /nfs/dbraw/zinc/75/22/47/928752247.db2.gz YVBISJDSOFNJBU-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001440933240 928752257 /nfs/dbraw/zinc/75/22/57/928752257.db2.gz YVBISJDSOFNJBU-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930793 928752325 /nfs/dbraw/zinc/75/23/25/928752325.db2.gz AHVFIGAJJUQKMV-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930793 928752330 /nfs/dbraw/zinc/75/23/30/928752330.db2.gz AHVFIGAJJUQKMV-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001441017146 928753256 /nfs/dbraw/zinc/75/32/56/928753256.db2.gz DUGFXZVJOGZKDR-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001441017146 928753267 /nfs/dbraw/zinc/75/32/67/928753267.db2.gz DUGFXZVJOGZKDR-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1nonc1C ZINC001441022075 928753361 /nfs/dbraw/zinc/75/33/61/928753361.db2.gz GMROJYMSXASMSH-SSDOTTSWSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1nonc1C ZINC001441022075 928753369 /nfs/dbraw/zinc/75/33/69/928753369.db2.gz GMROJYMSXASMSH-SSDOTTSWSA-N 1 1 312.330 -1.116 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001441017147 928753449 /nfs/dbraw/zinc/75/34/49/928753449.db2.gz DUGFXZVJOGZKDR-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001441017147 928753461 /nfs/dbraw/zinc/75/34/61/928753461.db2.gz DUGFXZVJOGZKDR-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@H+](C)CC(=O)N(C)C ZINC001440999976 928753522 /nfs/dbraw/zinc/75/35/22/928753522.db2.gz ZKMFVOQFILVJPB-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)CC(=O)N(C)C ZINC001440999976 928753532 /nfs/dbraw/zinc/75/35/32/928753532.db2.gz ZKMFVOQFILVJPB-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](CNC(=O)CCc1cncn1C)[N@H+](C)CC(=O)NC(N)=O ZINC001440998894 928753881 /nfs/dbraw/zinc/75/38/81/928753881.db2.gz WSHRSOOENIPIGU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](CNC(=O)CCc1cncn1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440998894 928753888 /nfs/dbraw/zinc/75/38/88/928753888.db2.gz WSHRSOOENIPIGU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001440988550 928754118 /nfs/dbraw/zinc/75/41/18/928754118.db2.gz LWDHMUJHVPAGPF-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001440988550 928754123 /nfs/dbraw/zinc/75/41/23/928754123.db2.gz LWDHMUJHVPAGPF-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001441022810 928754144 /nfs/dbraw/zinc/75/41/44/928754144.db2.gz VGBXJUAUVMOUSJ-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1cncn1C ZINC001440984438 928754279 /nfs/dbraw/zinc/75/42/79/928754279.db2.gz WWPPXLVZKDFVOF-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1cncn1C ZINC001440984438 928754285 /nfs/dbraw/zinc/75/42/85/928754285.db2.gz WWPPXLVZKDFVOF-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001440994298 928754739 /nfs/dbraw/zinc/75/47/39/928754739.db2.gz UDZAVUNGZWGHKX-SNVBAGLBSA-N 1 1 311.342 -1.022 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001440994298 928754745 /nfs/dbraw/zinc/75/47/45/928754745.db2.gz UDZAVUNGZWGHKX-SNVBAGLBSA-N 1 1 311.342 -1.022 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1nonc1C ZINC001441022079 928754929 /nfs/dbraw/zinc/75/49/29/928754929.db2.gz GMROJYMSXASMSH-ZETCQYMHSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1nonc1C ZINC001441022079 928754939 /nfs/dbraw/zinc/75/49/39/928754939.db2.gz GMROJYMSXASMSH-ZETCQYMHSA-N 1 1 312.330 -1.116 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)nn21 ZINC001440997059 928754951 /nfs/dbraw/zinc/75/49/51/928754951.db2.gz DJVVDLMQHMREOR-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)nn21 ZINC001440997059 928754957 /nfs/dbraw/zinc/75/49/57/928754957.db2.gz DJVVDLMQHMREOR-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC001441034610 928756254 /nfs/dbraw/zinc/75/62/54/928756254.db2.gz FMSILFVPQASSMS-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001441025547 928756828 /nfs/dbraw/zinc/75/68/28/928756828.db2.gz AMVABIDZUZBIFM-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO CCS(=O)(=O)NCCN1CC[NH+](CCNC(C)=O)CC1 ZINC001441043561 928757824 /nfs/dbraw/zinc/75/78/24/928757824.db2.gz HHYDRMCGXWJUTJ-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001441048078 928758305 /nfs/dbraw/zinc/75/83/05/928758305.db2.gz INJLTSDYAIHYAF-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441041936 928759307 /nfs/dbraw/zinc/75/93/07/928759307.db2.gz DBGYCECRCZNVDJ-GFCCVEGCSA-N 1 1 313.402 -2.464 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441041936 928759311 /nfs/dbraw/zinc/75/93/11/928759311.db2.gz DBGYCECRCZNVDJ-GFCCVEGCSA-N 1 1 313.402 -2.464 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441066623 928762667 /nfs/dbraw/zinc/76/26/67/928762667.db2.gz QCAZVCWULUZCIX-CYBMUJFWSA-N 1 1 311.430 -1.453 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001441060377 928762997 /nfs/dbraw/zinc/76/29/97/928762997.db2.gz ARDCAASPTQMBIF-QWRGUYRKSA-N 1 1 314.386 -1.618 20 0 DAADMO CC[C@H](C[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1)OC ZINC001441063272 928763317 /nfs/dbraw/zinc/76/33/17/928763317.db2.gz IWOWHISDADWBAQ-MNOVXSKESA-N 1 1 314.386 -1.354 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(CC(=O)N3CCC3)C2)C1 ZINC001441071615 928764823 /nfs/dbraw/zinc/76/48/23/928764823.db2.gz NLVWSGHKSVVBBI-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO O=C(Cn1cncn1)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001441070067 928766431 /nfs/dbraw/zinc/76/64/31/928766431.db2.gz JOAAZPWKSFKKLZ-LBPRGKRZSA-N 1 1 309.370 -1.132 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001441105883 928767486 /nfs/dbraw/zinc/76/74/86/928767486.db2.gz OGKAQIHYYCKSKN-GXSJLCMTSA-N 1 1 300.359 -2.190 20 0 DAADMO Cn1nnnc1CN1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001441114065 928767664 /nfs/dbraw/zinc/76/76/64/928767664.db2.gz OCVLPOFMZMYGLR-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC001441129700 928767845 /nfs/dbraw/zinc/76/78/45/928767845.db2.gz VKQBLBLEVJELEL-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001441097049 928768374 /nfs/dbraw/zinc/76/83/74/928768374.db2.gz OGENIPWACVSRBW-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001441097049 928768382 /nfs/dbraw/zinc/76/83/82/928768382.db2.gz OGENIPWACVSRBW-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001441096790 928768681 /nfs/dbraw/zinc/76/86/81/928768681.db2.gz JOLFEENBEFAZMB-SNVBAGLBSA-N 1 1 310.395 -1.115 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001441096790 928768688 /nfs/dbraw/zinc/76/86/88/928768688.db2.gz JOLFEENBEFAZMB-SNVBAGLBSA-N 1 1 310.395 -1.115 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001441161503 928770828 /nfs/dbraw/zinc/77/08/28/928770828.db2.gz BZUFUMCPCIBPCB-CMPLNLGQSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001441161626 928771632 /nfs/dbraw/zinc/77/16/32/928771632.db2.gz BZUFUMCPCIBPCB-PWSUYJOCSA-N 1 1 323.397 -2.257 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)CCNC(N)=O)C1 ZINC001441195805 928773465 /nfs/dbraw/zinc/77/34/65/928773465.db2.gz KOVBHGUSRGSIBR-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]([NH2+]Cc1ncnn1C)C1CC1 ZINC001441196188 928773697 /nfs/dbraw/zinc/77/36/97/928773697.db2.gz AQAVVAOVBQXCRD-WPRPVWTQSA-N 1 1 309.374 -1.144 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001441261844 928775195 /nfs/dbraw/zinc/77/51/95/928775195.db2.gz RXLDWZBCDUEFCP-CHWFTXMASA-N 1 1 310.354 -1.346 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H](CNC(=O)c1cnn[nH]1)C1CC1 ZINC001441213470 928775925 /nfs/dbraw/zinc/77/59/25/928775925.db2.gz ZNTSAMQCOSGCIT-VIFPVBQESA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H](CNC(=O)c1ncn[nH]1)C1CC1 ZINC001441247745 928776150 /nfs/dbraw/zinc/77/61/50/928776150.db2.gz WYGHCIVLBVGIGC-VIFPVBQESA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H](CNC(=O)c1nc[nH]n1)C1CC1 ZINC001441247745 928776155 /nfs/dbraw/zinc/77/61/55/928776155.db2.gz WYGHCIVLBVGIGC-VIFPVBQESA-N 1 1 301.372 -1.053 20 0 DAADMO O=C(C[NH2+][C@@H](CNC(=O)c1ncn[nH]1)C1CC1)N1CCOCC1 ZINC001441249115 928776181 /nfs/dbraw/zinc/77/61/81/928776181.db2.gz XKQHCJWAWYRVAN-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+][C@@H](CNC(=O)c1nc[nH]n1)C1CC1)N1CCOCC1 ZINC001441249115 928776186 /nfs/dbraw/zinc/77/61/86/928776186.db2.gz XKQHCJWAWYRVAN-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001441283360 928777112 /nfs/dbraw/zinc/77/71/12/928777112.db2.gz QIBJNVUKLXAVQU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001441267114 928777357 /nfs/dbraw/zinc/77/73/57/928777357.db2.gz FWOQZZXIHFLWRV-CNDDSTCGSA-N 1 1 308.382 -1.351 20 0 DAADMO CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001441267114 928777363 /nfs/dbraw/zinc/77/73/63/928777363.db2.gz FWOQZZXIHFLWRV-CNDDSTCGSA-N 1 1 308.382 -1.351 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001441276381 928777381 /nfs/dbraw/zinc/77/73/81/928777381.db2.gz OSENSNQMKZREFZ-OWUUHHOZSA-N 1 1 320.353 -1.179 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001441285546 928777530 /nfs/dbraw/zinc/77/75/30/928777530.db2.gz XNWOVOGNQJPOTP-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001441267780 928778284 /nfs/dbraw/zinc/77/82/84/928778284.db2.gz BEMXKPXTXJEHHW-ZSOGYDGISA-N 1 1 324.425 -1.299 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c1=O ZINC001441298601 928779057 /nfs/dbraw/zinc/77/90/57/928779057.db2.gz PLBGBSZMBKKAKZ-CNDDSTCGSA-N 1 1 309.370 -1.742 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001441325951 928781638 /nfs/dbraw/zinc/78/16/38/928781638.db2.gz ULVSCYLSGHQCKE-KKOKHZNYSA-N 1 1 306.370 -1.293 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)NC(N)=O ZINC001441335107 928781975 /nfs/dbraw/zinc/78/19/75/928781975.db2.gz TTXOTTZTCXUFFX-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441329984 928782187 /nfs/dbraw/zinc/78/21/87/928782187.db2.gz YPNWSRZDIGGZRR-WISYIIOYSA-N 1 1 308.382 -1.176 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001441342706 928782247 /nfs/dbraw/zinc/78/22/47/928782247.db2.gz STYMQKYRWXCOKL-GRYCIOLGSA-N 1 1 319.427 -1.255 20 0 DAADMO CC[N@H+]1CCCC2(CN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001441335884 928783015 /nfs/dbraw/zinc/78/30/15/928783015.db2.gz BQTHOCBBVWFYNB-UHFFFAOYSA-N 1 1 304.416 -1.016 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001441419425 928787657 /nfs/dbraw/zinc/78/76/57/928787657.db2.gz SYSQRKQDUULCNV-XYPYZODXSA-N 1 1 319.373 -1.292 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001441448207 928788860 /nfs/dbraw/zinc/78/88/60/928788860.db2.gz SOXMLJVXCKFXHQ-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441448201 928789215 /nfs/dbraw/zinc/78/92/15/928789215.db2.gz QFFOWRPIGSBBLY-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001441452449 928789480 /nfs/dbraw/zinc/78/94/80/928789480.db2.gz VLIUJNKXBLYRFM-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001441441057 928789679 /nfs/dbraw/zinc/78/96/79/928789679.db2.gz OPKHSQJFLMKLDM-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001441481239 928791908 /nfs/dbraw/zinc/79/19/08/928791908.db2.gz RDNHBNOIHBDWGM-FGWVZKOKSA-N 1 1 305.400 -1.361 20 0 DAADMO CO[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCOC1 ZINC001441504065 928793670 /nfs/dbraw/zinc/79/36/70/928793670.db2.gz DRMKOLQGYXLZHV-DCQANWLSSA-N 1 1 324.385 -1.002 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CCOCC2=O)[nH]1 ZINC001441531113 928795850 /nfs/dbraw/zinc/79/58/50/928795850.db2.gz DNJBSJMLZXAUMJ-JTQLQIEISA-N 1 1 324.385 -1.092 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001441578902 928798479 /nfs/dbraw/zinc/79/84/79/928798479.db2.gz ZKCDXUYPQDFVKY-GHMZBOCLSA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001441554236 928798740 /nfs/dbraw/zinc/79/87/40/928798740.db2.gz ASAKTULVNZSFPF-LBPRGKRZSA-N 1 1 324.381 -1.633 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC001441592814 928799700 /nfs/dbraw/zinc/79/97/00/928799700.db2.gz UVKXOXYDEZBKGK-NSHDSACASA-N 1 1 324.385 -1.715 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001441592814 928799712 /nfs/dbraw/zinc/79/97/12/928799712.db2.gz UVKXOXYDEZBKGK-NSHDSACASA-N 1 1 324.385 -1.715 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001441583906 928800909 /nfs/dbraw/zinc/80/09/09/928800909.db2.gz KQJLJDLCJRLEEU-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001441583906 928800924 /nfs/dbraw/zinc/80/09/24/928800924.db2.gz KQJLJDLCJRLEEU-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001441617463 928801217 /nfs/dbraw/zinc/80/12/17/928801217.db2.gz ZHGCTWNHSNDICT-APPZFPTMSA-N 1 1 310.314 -1.396 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001441583893 928801302 /nfs/dbraw/zinc/80/13/02/928801302.db2.gz KQJLJDLCJRLEEU-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001441583893 928801318 /nfs/dbraw/zinc/80/13/18/928801318.db2.gz KQJLJDLCJRLEEU-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001441617523 928801445 /nfs/dbraw/zinc/80/14/45/928801445.db2.gz ZHGCTWNHSNDICT-CBAPKCEASA-N 1 1 310.314 -1.396 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001441638525 928802812 /nfs/dbraw/zinc/80/28/12/928802812.db2.gz AHWBDWCJENQZFN-MRVPVSSYSA-N 1 1 319.387 -1.136 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001441633209 928803218 /nfs/dbraw/zinc/80/32/18/928803218.db2.gz DUEHWUOZKPFIHA-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001441633209 928803230 /nfs/dbraw/zinc/80/32/30/928803230.db2.gz DUEHWUOZKPFIHA-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001441646683 928803448 /nfs/dbraw/zinc/80/34/48/928803448.db2.gz LPPWNBDLCWRSTB-ZETCQYMHSA-N 1 1 303.344 -1.810 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001441665177 928806511 /nfs/dbraw/zinc/80/65/11/928806511.db2.gz AVHQJKOVXDPNBM-NSHDSACASA-N 1 1 319.358 -1.168 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCn1cccn1 ZINC001441666007 928806871 /nfs/dbraw/zinc/80/68/71/928806871.db2.gz BCGGQLRPTHWKNZ-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001441669909 928809347 /nfs/dbraw/zinc/80/93/47/928809347.db2.gz PRGXPCAKCDOVSJ-JTQLQIEISA-N 1 1 311.342 -1.292 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)o1 ZINC001441673071 928811570 /nfs/dbraw/zinc/81/15/70/928811570.db2.gz MEXJMFXEDRAUGT-JTQLQIEISA-N 1 1 319.383 -1.097 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)cn1 ZINC001441673814 928811906 /nfs/dbraw/zinc/81/19/06/928811906.db2.gz NNOQXIKQPLOHDQ-LLVKDONJSA-N 1 1 316.383 -1.604 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441677595 928811935 /nfs/dbraw/zinc/81/19/35/928811935.db2.gz GEOQUYFXBHCGSN-GFCCVEGCSA-N 1 1 311.386 -1.179 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001441675477 928811979 /nfs/dbraw/zinc/81/19/79/928811979.db2.gz IATRYIJZGGMQCF-WDEREUQCSA-N 1 1 322.431 -1.751 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)o1 ZINC001441673075 928812121 /nfs/dbraw/zinc/81/21/21/928812121.db2.gz MEXJMFXEDRAUGT-SNVBAGLBSA-N 1 1 319.383 -1.097 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441679481 928812812 /nfs/dbraw/zinc/81/28/12/928812812.db2.gz YFOIXWMOOIRBTI-VHSXEESVSA-N 1 1 316.358 -2.954 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)ncn1 ZINC001441694301 928817431 /nfs/dbraw/zinc/81/74/31/928817431.db2.gz BZSCWVKEEOWLOF-LLVKDONJSA-N 1 1 306.330 -1.962 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ncccc1O)NC1CC1 ZINC001441696044 928817543 /nfs/dbraw/zinc/81/75/43/928817543.db2.gz KUDIDKFZKMQPJH-SNVBAGLBSA-N 1 1 308.338 -1.254 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001441696803 928817720 /nfs/dbraw/zinc/81/77/20/928817720.db2.gz NIGWAWDYPVPQLN-RWMBFGLXSA-N 1 1 314.430 -1.081 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441696803 928817724 /nfs/dbraw/zinc/81/77/24/928817724.db2.gz NIGWAWDYPVPQLN-RWMBFGLXSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001441698509 928821030 /nfs/dbraw/zinc/82/10/30/928821030.db2.gz UCZPRPSJEMPDPE-GRYCIOLGSA-N 1 1 321.443 -1.562 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001441698509 928821041 /nfs/dbraw/zinc/82/10/41/928821041.db2.gz UCZPRPSJEMPDPE-GRYCIOLGSA-N 1 1 321.443 -1.562 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CO[C@@H]1CCOC1 ZINC001441701221 928822694 /nfs/dbraw/zinc/82/26/94/928822694.db2.gz XXRGIJKOIQUHQG-CMPLNLGQSA-N 1 1 313.358 -1.813 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001441702601 928822953 /nfs/dbraw/zinc/82/29/53/928822953.db2.gz ZSGIRRWRTVISGS-VIFPVBQESA-N 1 1 322.373 -1.506 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)o1 ZINC001441704604 928826687 /nfs/dbraw/zinc/82/66/87/928826687.db2.gz YTAVXSMGZMZMFN-YPMHNXCESA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)CCO2)o1 ZINC001441704601 928827330 /nfs/dbraw/zinc/82/73/30/928827330.db2.gz YTAVXSMGZMZMFN-DGCLKSJQSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)C2CS(=O)(=O)C2)o1 ZINC001441708161 928828090 /nfs/dbraw/zinc/82/80/90/928828090.db2.gz RAPXNNANNFOFMD-SNVBAGLBSA-N 1 1 317.367 -1.406 20 0 DAADMO Cn1ncc(CN[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001441708495 928829556 /nfs/dbraw/zinc/82/95/56/928829556.db2.gz FYTOVEQJZBLRER-OLZOCXBDSA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441710849 928831447 /nfs/dbraw/zinc/83/14/47/928831447.db2.gz UNGPPPSTFWOQQG-VXGBXAGGSA-N 1 1 309.370 -1.312 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001441713329 928832280 /nfs/dbraw/zinc/83/22/80/928832280.db2.gz LFKRDHMPNQVPKS-OLZOCXBDSA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441710847 928832525 /nfs/dbraw/zinc/83/25/25/928832525.db2.gz UNGPPPSTFWOQQG-NWDGAFQWSA-N 1 1 309.370 -1.312 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1ccncn1 ZINC001441715891 928833452 /nfs/dbraw/zinc/83/34/52/928833452.db2.gz WTBLIULNHUKIPS-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001441713341 928833766 /nfs/dbraw/zinc/83/37/66/928833766.db2.gz LFKRDHMPNQVPKS-STQMWFEESA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001441714538 928834467 /nfs/dbraw/zinc/83/44/67/928834467.db2.gz YWAQTJNTWMVBCX-JQWIXIFHSA-N 1 1 309.370 -1.535 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001441718313 928838081 /nfs/dbraw/zinc/83/80/81/928838081.db2.gz WZEHBBHCKLSRBR-YPMHNXCESA-N 1 1 323.397 -1.004 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)S(C)(=O)=O ZINC001441720956 928840403 /nfs/dbraw/zinc/84/04/03/928840403.db2.gz ZKAHFEHZERLDQW-DTWKUNHWSA-N 1 1 319.387 -2.185 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)S(C)(=O)=O ZINC001441720954 928841291 /nfs/dbraw/zinc/84/12/91/928841291.db2.gz ZKAHFEHZERLDQW-BDAKNGLRSA-N 1 1 319.387 -2.185 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001441723121 928842083 /nfs/dbraw/zinc/84/20/83/928842083.db2.gz MVMJIQDQGBMNFC-FBDQPXRJSA-N 1 1 311.386 -1.256 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001441723121 928842100 /nfs/dbraw/zinc/84/21/00/928842100.db2.gz MVMJIQDQGBMNFC-FBDQPXRJSA-N 1 1 311.386 -1.256 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001441729221 928842743 /nfs/dbraw/zinc/84/27/43/928842743.db2.gz CKHMGKBIPGWQCK-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001441730582 928842863 /nfs/dbraw/zinc/84/28/63/928842863.db2.gz LSFDMCJYLFMDLX-NXEZZACHSA-N 1 1 311.342 -1.427 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)NC1=O ZINC001441727580 928843786 /nfs/dbraw/zinc/84/37/86/928843786.db2.gz DRWWTAJWQHYGNC-RYUDHWBXSA-N 1 1 307.354 -1.328 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001441730585 928843977 /nfs/dbraw/zinc/84/39/77/928843977.db2.gz LSFDMCJYLFMDLX-UWVGGRQHSA-N 1 1 311.342 -1.427 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)NC1=O ZINC001441729310 928844317 /nfs/dbraw/zinc/84/43/17/928844317.db2.gz IPLKVNKTZGYEGK-IONNQARKSA-N 1 1 314.371 -1.872 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001441741728 928849173 /nfs/dbraw/zinc/84/91/73/928849173.db2.gz TZDDLFJMNFHNRP-CMPLNLGQSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001441748915 928851583 /nfs/dbraw/zinc/85/15/83/928851583.db2.gz RZSYAEZCFPOIAC-WCQYABFASA-N 1 1 314.430 -1.128 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001441752742 928852946 /nfs/dbraw/zinc/85/29/46/928852946.db2.gz MVSGOPYPGLVINC-CMPLNLGQSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441758232 928854849 /nfs/dbraw/zinc/85/48/49/928854849.db2.gz SYXQIXDHKYVIBH-IEBDPFPHSA-N 1 1 310.358 -2.014 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2CC)nn1 ZINC001441769373 928858489 /nfs/dbraw/zinc/85/84/89/928858489.db2.gz QUQVHEPJQVNTSS-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)ncn1 ZINC001441775726 928860193 /nfs/dbraw/zinc/86/01/93/928860193.db2.gz MBVHAKWZWXRJRY-NSHDSACASA-N 1 1 305.342 -1.287 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCN1CCCC1=O ZINC001441784238 928864406 /nfs/dbraw/zinc/86/44/06/928864406.db2.gz BVUQNEZWESXFNW-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001441787160 928866080 /nfs/dbraw/zinc/86/60/80/928866080.db2.gz MDRGMSXVBLDAAA-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001441787156 928867022 /nfs/dbraw/zinc/86/70/22/928867022.db2.gz MDRGMSXVBLDAAA-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCN2C(N)=O)n1 ZINC001441803474 928870822 /nfs/dbraw/zinc/87/08/22/928870822.db2.gz SXBOYMIJAVOHLI-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO COc1cc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)ncn1 ZINC001441814295 928872172 /nfs/dbraw/zinc/87/21/72/928872172.db2.gz BAIAJJRUOMJGNN-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001441849728 928874415 /nfs/dbraw/zinc/87/44/15/928874415.db2.gz MZCJESIRHYYVNK-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001441843763 928874643 /nfs/dbraw/zinc/87/46/43/928874643.db2.gz KGRQCOMSIDUTJT-SECBINFHSA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCNC(N)=O ZINC001441834037 928875663 /nfs/dbraw/zinc/87/56/63/928875663.db2.gz ZUBDBGXSLCBUCY-RKDXNWHRSA-N 1 1 310.362 -1.653 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001441843765 928876072 /nfs/dbraw/zinc/87/60/72/928876072.db2.gz KGRQCOMSIDUTJT-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001441866690 928877024 /nfs/dbraw/zinc/87/70/24/928877024.db2.gz FMWJHWMUPKWZEO-SECBINFHSA-N 1 1 310.362 -1.780 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001441866692 928877138 /nfs/dbraw/zinc/87/71/38/928877138.db2.gz FMWJHWMUPKWZEO-VIFPVBQESA-N 1 1 310.362 -1.780 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001441879832 928877275 /nfs/dbraw/zinc/87/72/75/928877275.db2.gz FQORFECDMDNYHI-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001441879832 928877289 /nfs/dbraw/zinc/87/72/89/928877289.db2.gz FQORFECDMDNYHI-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001441875407 928878980 /nfs/dbraw/zinc/87/89/80/928878980.db2.gz NLESTNZZOHYFSS-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001441913192 928880720 /nfs/dbraw/zinc/88/07/20/928880720.db2.gz HNFQLQUEWXJSNJ-VHSXEESVSA-N 1 1 323.401 -1.300 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001441886124 928880961 /nfs/dbraw/zinc/88/09/61/928880961.db2.gz USMBKDCDYDEJKK-JTNHKYCSSA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1nnnn1C ZINC001441910904 928881314 /nfs/dbraw/zinc/88/13/14/928881314.db2.gz ULPUIUPXUSUMOO-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO COCCn1ccc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001441904209 928881666 /nfs/dbraw/zinc/88/16/66/928881666.db2.gz HTLUIEIPTKWMDI-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001441944527 928883609 /nfs/dbraw/zinc/88/36/09/928883609.db2.gz VGIZFBATLZUFLD-NOZJJQNGSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441948201 928886591 /nfs/dbraw/zinc/88/65/91/928886591.db2.gz ANAOTNDAHITRMC-IONNQARKSA-N 1 1 308.346 -1.716 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)nnn1C ZINC001441956822 928887035 /nfs/dbraw/zinc/88/70/35/928887035.db2.gz FMMXODAFZGYTQP-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441958617 928888883 /nfs/dbraw/zinc/88/88/83/928888883.db2.gz NCPYQCQGGBXGHC-APPZFPTMSA-N 1 1 307.358 -1.042 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C1=COCCO1 ZINC001441960080 928888986 /nfs/dbraw/zinc/88/89/86/928888986.db2.gz VMYDITMGEIRBSI-NSHDSACASA-N 1 1 311.342 -1.388 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn(C)c1 ZINC001441969523 928890993 /nfs/dbraw/zinc/89/09/93/928890993.db2.gz GJXGOYYBHVUESX-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001441966078 928891661 /nfs/dbraw/zinc/89/16/61/928891661.db2.gz LADUFFZBUCTWNK-WDEREUQCSA-N 1 1 307.354 -1.336 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001441967503 928892793 /nfs/dbraw/zinc/89/27/93/928892793.db2.gz NFQQKOLIKDXAQG-VHSXEESVSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001441972205 928893970 /nfs/dbraw/zinc/89/39/70/928893970.db2.gz LPOCKKNLTYWUOS-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCNC(=O)C1 ZINC001441972202 928894212 /nfs/dbraw/zinc/89/42/12/928894212.db2.gz LPOCKKNLTYWUOS-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCNC(=O)C1 ZINC001441972198 928894872 /nfs/dbraw/zinc/89/48/72/928894872.db2.gz LPOCKKNLTYWUOS-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001441974248 928895026 /nfs/dbraw/zinc/89/50/26/928895026.db2.gz XXFRQMCKXDHGLJ-JTQLQIEISA-N 1 1 300.363 -1.456 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001441971604 928895088 /nfs/dbraw/zinc/89/50/88/928895088.db2.gz JGKCXXUZBSXGFK-DTWKUNHWSA-N 1 1 308.346 -1.283 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001441979479 928896503 /nfs/dbraw/zinc/89/65/03/928896503.db2.gz XWRAZMYFUICRBS-KOLCDFICSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1cnc[nH]1 ZINC001441983267 928897962 /nfs/dbraw/zinc/89/79/62/928897962.db2.gz JWEYJOFZPQTUIV-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1c[nH]cc2ncnc1-2 ZINC001441985167 928898557 /nfs/dbraw/zinc/89/85/57/928898557.db2.gz KWXSJBGFJHIXLH-MRVPVSSYSA-N 1 1 306.326 -1.534 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1)c1ncccn1 ZINC001441980504 928898801 /nfs/dbraw/zinc/89/88/01/928898801.db2.gz WNWJSVRODBMQNT-QWRGUYRKSA-N 1 1 320.357 -1.367 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNCc1ncnn1C ZINC001441987498 928901006 /nfs/dbraw/zinc/90/10/06/928901006.db2.gz AVKDWCQOYZUAAS-LBPRGKRZSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001441991477 928901251 /nfs/dbraw/zinc/90/12/51/928901251.db2.gz GMSFYZRVJSCJGI-IUCAKERBSA-N 1 1 313.358 -1.717 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001441999595 928901904 /nfs/dbraw/zinc/90/19/04/928901904.db2.gz PWJIMJRBVIMCJK-CMPLNLGQSA-N 1 1 314.390 -1.210 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441994779 928901967 /nfs/dbraw/zinc/90/19/67/928901967.db2.gz NDXGVETVFAGIRP-MEWQQHAOSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnnn1C ZINC001442001096 928905054 /nfs/dbraw/zinc/90/50/54/928905054.db2.gz SCSUUZZOYVGJIM-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442005203 928905090 /nfs/dbraw/zinc/90/50/90/928905090.db2.gz YZIFMBMAHQRSIS-FZMZJTMJSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)NC1 ZINC001442005877 928906262 /nfs/dbraw/zinc/90/62/62/928906262.db2.gz UFTRJLLANAOBGV-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001442017107 928906954 /nfs/dbraw/zinc/90/69/54/928906954.db2.gz FPZJSQAXNDZJOL-HTQZYQBOSA-N 1 1 309.334 -1.888 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001442019211 928907691 /nfs/dbraw/zinc/90/76/91/928907691.db2.gz UWKUJGYRUBEZOA-MNOVXSKESA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001442016472 928908341 /nfs/dbraw/zinc/90/83/41/928908341.db2.gz PAXSDVQYMRMZFU-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]2CCC(=O)N2)[nH]1 ZINC001442031924 928910076 /nfs/dbraw/zinc/91/00/76/928910076.db2.gz RRFVIKFWMFACTR-MNOVXSKESA-N 1 1 324.385 -1.309 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001442029170 928911270 /nfs/dbraw/zinc/91/12/70/928911270.db2.gz NGYISBFAVHQXAK-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ncccn1)c1nnnn1C ZINC001442027307 928911381 /nfs/dbraw/zinc/91/13/81/928911381.db2.gz WTVAYCSAPTWQAG-VHSXEESVSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ncccn1)c1nnnn1C ZINC001442027305 928911418 /nfs/dbraw/zinc/91/14/18/928911418.db2.gz WTVAYCSAPTWQAG-UWVGGRQHSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn(C)n1 ZINC001442026993 928911597 /nfs/dbraw/zinc/91/15/97/928911597.db2.gz BQXQMFMANIKGEC-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]2CCC(=O)N2)[nH]1 ZINC001442031937 928911611 /nfs/dbraw/zinc/91/16/11/928911611.db2.gz RRFVIKFWMFACTR-WDEREUQCSA-N 1 1 324.385 -1.309 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cncn1C ZINC001442044702 928912949 /nfs/dbraw/zinc/91/29/49/928912949.db2.gz RCPFAOWFXNHURR-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040743 928913244 /nfs/dbraw/zinc/91/32/44/928913244.db2.gz LRAMNWCRNIOTEA-PWSUYJOCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040743 928913260 /nfs/dbraw/zinc/91/32/60/928913260.db2.gz LRAMNWCRNIOTEA-PWSUYJOCSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001442041156 928914492 /nfs/dbraw/zinc/91/44/92/928914492.db2.gz DUIKQESXUMMUJO-GFCCVEGCSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001442041156 928914502 /nfs/dbraw/zinc/91/45/02/928914502.db2.gz DUIKQESXUMMUJO-GFCCVEGCSA-N 1 1 311.386 -1.209 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001442054896 928915533 /nfs/dbraw/zinc/91/55/33/928915533.db2.gz MKRAZFJDERIMNV-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001442054896 928915548 /nfs/dbraw/zinc/91/55/48/928915548.db2.gz MKRAZFJDERIMNV-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001442049163 928916152 /nfs/dbraw/zinc/91/61/52/928916152.db2.gz POABJIANLAWPNU-VHSXEESVSA-N 1 1 318.399 -1.090 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1nnnn1C ZINC001442052057 928916207 /nfs/dbraw/zinc/91/62/07/928916207.db2.gz YHJNLRQJFNJDIZ-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001442050713 928916583 /nfs/dbraw/zinc/91/65/83/928916583.db2.gz QRGLDUWGABMBDF-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001442050713 928916592 /nfs/dbraw/zinc/91/65/92/928916592.db2.gz QRGLDUWGABMBDF-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncccn1 ZINC001442048577 928917861 /nfs/dbraw/zinc/91/78/61/928917861.db2.gz MTGPNDAEXGKMIY-VHSXEESVSA-N 1 1 313.383 -1.237 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442050460 928917975 /nfs/dbraw/zinc/91/79/75/928917975.db2.gz VQMAONYQECACIG-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001442056423 928919044 /nfs/dbraw/zinc/91/90/44/928919044.db2.gz OXPGPUCFHQZEKR-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064925 928919200 /nfs/dbraw/zinc/91/92/00/928919200.db2.gz QERLRZJUJPEDGY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064925 928919208 /nfs/dbraw/zinc/91/92/08/928919208.db2.gz QERLRZJUJPEDGY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001442058404 928920030 /nfs/dbraw/zinc/92/00/30/928920030.db2.gz ZIEFNGKMCCUSSJ-RYUDHWBXSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001442063479 928920284 /nfs/dbraw/zinc/92/02/84/928920284.db2.gz BNXRMQGXMXXOQP-NEPJUHHUSA-N 1 1 301.387 -1.402 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)c1 ZINC001442057587 928920687 /nfs/dbraw/zinc/92/06/87/928920687.db2.gz PQMZHOBKFCYMAS-VXGBXAGGSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)c1 ZINC001442057587 928920697 /nfs/dbraw/zinc/92/06/97/928920697.db2.gz PQMZHOBKFCYMAS-VXGBXAGGSA-N 1 1 311.386 -1.184 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001442068097 928922178 /nfs/dbraw/zinc/92/21/78/928922178.db2.gz GSIKUITVQNXUDT-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001442068097 928922195 /nfs/dbraw/zinc/92/21/95/928922195.db2.gz GSIKUITVQNXUDT-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001442071098 928922496 /nfs/dbraw/zinc/92/24/96/928922496.db2.gz MVGWYIZHOCPJDI-NXEZZACHSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001442077764 928922784 /nfs/dbraw/zinc/92/27/84/928922784.db2.gz YEOPCLADUZOWIJ-HTQZYQBOSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001442077764 928922790 /nfs/dbraw/zinc/92/27/90/928922790.db2.gz YEOPCLADUZOWIJ-HTQZYQBOSA-N 1 1 322.312 -1.412 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001442073281 928923127 /nfs/dbraw/zinc/92/31/27/928923127.db2.gz ZDMKTEXBMAYQAL-RYUDHWBXSA-N 1 1 314.386 -1.208 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001442071304 928923250 /nfs/dbraw/zinc/92/32/50/928923250.db2.gz COXZKWSWDXENFR-VHSXEESVSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001442080278 928923434 /nfs/dbraw/zinc/92/34/34/928923434.db2.gz JWCZPJREOUWZHR-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001442072890 928924018 /nfs/dbraw/zinc/92/40/18/928924018.db2.gz XOUGURAKKVSFIQ-SNVBAGLBSA-N 1 1 314.342 -2.308 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1cnc[nH]1 ZINC001442078957 928924250 /nfs/dbraw/zinc/92/42/50/928924250.db2.gz FBRQKNURSDQQPA-ZDUSSCGKSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1cnc[nH]1 ZINC001442078957 928924259 /nfs/dbraw/zinc/92/42/59/928924259.db2.gz FBRQKNURSDQQPA-ZDUSSCGKSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001442081453 928924277 /nfs/dbraw/zinc/92/42/77/928924277.db2.gz MWTOFOYNMVAYPM-VHSXEESVSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001442081453 928924281 /nfs/dbraw/zinc/92/42/81/928924281.db2.gz MWTOFOYNMVAYPM-VHSXEESVSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001442071104 928924329 /nfs/dbraw/zinc/92/43/29/928924329.db2.gz MVGWYIZHOCPJDI-ZJUUUORDSA-N 1 1 310.358 -1.932 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001442072982 928924372 /nfs/dbraw/zinc/92/43/72/928924372.db2.gz XZDREZXSUZYREZ-NSHDSACASA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001442072982 928924381 /nfs/dbraw/zinc/92/43/81/928924381.db2.gz XZDREZXSUZYREZ-NSHDSACASA-N 1 1 310.354 -1.060 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C1CCS(=O)(=O)CC1 ZINC001442078064 928924493 /nfs/dbraw/zinc/92/44/93/928924493.db2.gz CZVYNDWCVGZVRJ-LBPRGKRZSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1CCS(=O)(=O)CC1 ZINC001442078064 928924498 /nfs/dbraw/zinc/92/44/98/928924498.db2.gz CZVYNDWCVGZVRJ-LBPRGKRZSA-N 1 1 322.427 -1.445 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001442072250 928924607 /nfs/dbraw/zinc/92/46/07/928924607.db2.gz PYKFNRDBYFIHBO-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001442072250 928924613 /nfs/dbraw/zinc/92/46/13/928924613.db2.gz PYKFNRDBYFIHBO-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442081503 928924899 /nfs/dbraw/zinc/92/48/99/928924899.db2.gz GWBPKPNSTMRWSX-DTWKUNHWSA-N 1 1 313.362 -2.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001442083016 928925384 /nfs/dbraw/zinc/92/53/84/928925384.db2.gz ZAWGTNNYNIOCIV-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001442083016 928925391 /nfs/dbraw/zinc/92/53/91/928925391.db2.gz ZAWGTNNYNIOCIV-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001442088403 928925654 /nfs/dbraw/zinc/92/56/54/928925654.db2.gz DEWFJWWJLDXWEB-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442096392 928926608 /nfs/dbraw/zinc/92/66/08/928926608.db2.gz OLXQJNTUQOCHNO-QWHCGFSZSA-N 1 1 314.430 -1.175 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442092686 928927289 /nfs/dbraw/zinc/92/72/89/928927289.db2.gz KAPZIFWNJJOWEY-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n1C ZINC001442083837 928927683 /nfs/dbraw/zinc/92/76/83/928927683.db2.gz ULPMBVWIPIHLSF-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001442086319 928927908 /nfs/dbraw/zinc/92/79/08/928927908.db2.gz VWCAUXXYQNJHBB-SDDRHHMPSA-N 1 1 317.386 -1.583 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001442082791 928927982 /nfs/dbraw/zinc/92/79/82/928927982.db2.gz QPRYVYUKKLPUJC-ONGXEEELSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCC(=O)N1C ZINC001442093544 928928605 /nfs/dbraw/zinc/92/86/05/928928605.db2.gz LWTQMFZWQFJZSA-RYUDHWBXSA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001442100943 928929825 /nfs/dbraw/zinc/92/98/25/928929825.db2.gz XMEOSDSMYTUFQK-AAEUAGOBSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001442100943 928929818 /nfs/dbraw/zinc/92/98/18/928929818.db2.gz XMEOSDSMYTUFQK-AAEUAGOBSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098863 928930174 /nfs/dbraw/zinc/93/01/74/928930174.db2.gz UDDJTZVSOXFZGW-NXEZZACHSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098863 928930187 /nfs/dbraw/zinc/93/01/87/928930187.db2.gz UDDJTZVSOXFZGW-NXEZZACHSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001442100946 928931298 /nfs/dbraw/zinc/93/12/98/928931298.db2.gz XMEOSDSMYTUFQK-YPMHNXCESA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCCS1(=O)=O ZINC001442100946 928931306 /nfs/dbraw/zinc/93/13/06/928931306.db2.gz XMEOSDSMYTUFQK-YPMHNXCESA-N 1 1 322.427 -1.303 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001442197304 928934090 /nfs/dbraw/zinc/93/40/90/928934090.db2.gz KGJBKTVCBGFEHQ-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001442187521 928934342 /nfs/dbraw/zinc/93/43/42/928934342.db2.gz DYPIZJMEMXDUKV-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001442187521 928934348 /nfs/dbraw/zinc/93/43/48/928934348.db2.gz DYPIZJMEMXDUKV-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1)C(N)=O ZINC001442213015 928934839 /nfs/dbraw/zinc/93/48/39/928934839.db2.gz LMVNODIGWYGSAF-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cncn1C)[C@H]1CCNC1=O ZINC001442182252 928935633 /nfs/dbraw/zinc/93/56/33/928935633.db2.gz WOHXVBFFPMBOCZ-NSHDSACASA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cncn1C)[C@H]1CCNC1=O ZINC001442182252 928935640 /nfs/dbraw/zinc/93/56/40/928935640.db2.gz WOHXVBFFPMBOCZ-NSHDSACASA-N 1 1 309.370 -1.013 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001442196897 928935669 /nfs/dbraw/zinc/93/56/69/928935669.db2.gz WHAWFZSVCJBTCG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001442207260 928935859 /nfs/dbraw/zinc/93/58/59/928935859.db2.gz COEVSFRMQWYEOV-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001442207260 928935868 /nfs/dbraw/zinc/93/58/68/928935868.db2.gz COEVSFRMQWYEOV-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1ccn(C)n1)[C@@H]1CCNC1=O ZINC001442181829 928935957 /nfs/dbraw/zinc/93/59/57/928935957.db2.gz BVGKFKHGNLADLK-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1ccn(C)n1)[C@@H]1CCNC1=O ZINC001442181829 928935963 /nfs/dbraw/zinc/93/59/63/928935963.db2.gz BVGKFKHGNLADLK-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O)C1CC1 ZINC001442340855 928940107 /nfs/dbraw/zinc/94/01/07/928940107.db2.gz ZQOMZPNUUWRQGM-UHFFFAOYSA-N 1 1 323.353 -1.352 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001442364857 928940259 /nfs/dbraw/zinc/94/02/59/928940259.db2.gz CJOSCVMIKOLKDU-VIFPVBQESA-N 1 1 302.331 -2.095 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001442364857 928940265 /nfs/dbraw/zinc/94/02/65/928940265.db2.gz CJOSCVMIKOLKDU-VIFPVBQESA-N 1 1 302.331 -2.095 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442369084 928940348 /nfs/dbraw/zinc/94/03/48/928940348.db2.gz UZFAFOKUEPWDCI-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442369084 928940353 /nfs/dbraw/zinc/94/03/53/928940353.db2.gz UZFAFOKUEPWDCI-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cnns1 ZINC001442365151 928940411 /nfs/dbraw/zinc/94/04/11/928940411.db2.gz NTASLGDJMRVGRU-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cnns1 ZINC001442365151 928940420 /nfs/dbraw/zinc/94/04/20/928940420.db2.gz NTASLGDJMRVGRU-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001442350537 928940627 /nfs/dbraw/zinc/94/06/27/928940627.db2.gz YCKLCRGJOHMVSB-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001442350537 928940644 /nfs/dbraw/zinc/94/06/44/928940644.db2.gz YCKLCRGJOHMVSB-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001442406085 928942300 /nfs/dbraw/zinc/94/23/00/928942300.db2.gz AJLNGQVFGUNIBX-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001442406085 928942310 /nfs/dbraw/zinc/94/23/10/928942310.db2.gz AJLNGQVFGUNIBX-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](OC)C1CC1 ZINC001442395514 928942722 /nfs/dbraw/zinc/94/27/22/928942722.db2.gz OOYAHUOLYCERFL-NSHDSACASA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](OC)C1CC1 ZINC001442395514 928942733 /nfs/dbraw/zinc/94/27/33/928942733.db2.gz OOYAHUOLYCERFL-NSHDSACASA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001442403570 928942828 /nfs/dbraw/zinc/94/28/28/928942828.db2.gz FXGFYSXEDSJHPT-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001442403570 928942834 /nfs/dbraw/zinc/94/28/34/928942834.db2.gz FXGFYSXEDSJHPT-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CN1CCC[C@@H]([N@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001442377166 928943061 /nfs/dbraw/zinc/94/30/61/928943061.db2.gz ONAQSTUAXQJDDC-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001442377166 928943076 /nfs/dbraw/zinc/94/30/76/928943076.db2.gz ONAQSTUAXQJDDC-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)CCN2CCNC2=O)[nH]1 ZINC001442404986 928943704 /nfs/dbraw/zinc/94/37/04/928943704.db2.gz LPDKEYWTVZDNRI-UHFFFAOYSA-N 1 1 309.374 -1.271 20 0 DAADMO Cc1nc(CC(=O)NCC[N@@H+](C)CCN2CCNC2=O)n[nH]1 ZINC001442404986 928943710 /nfs/dbraw/zinc/94/37/10/928943710.db2.gz LPDKEYWTVZDNRI-UHFFFAOYSA-N 1 1 309.374 -1.271 20 0 DAADMO Cc1nc(CC(=O)NCC[N@H+](C)CCN2CCNC2=O)n[nH]1 ZINC001442404986 928943719 /nfs/dbraw/zinc/94/37/19/928943719.db2.gz LPDKEYWTVZDNRI-UHFFFAOYSA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001442371397 928943923 /nfs/dbraw/zinc/94/39/23/928943923.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001442371397 928943940 /nfs/dbraw/zinc/94/39/40/928943940.db2.gz GBTKKKFHSIWNKU-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001442386401 928944353 /nfs/dbraw/zinc/94/43/53/928944353.db2.gz IZOVBJNASJFRHY-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001442386401 928944370 /nfs/dbraw/zinc/94/43/70/928944370.db2.gz IZOVBJNASJFRHY-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001442381173 928944493 /nfs/dbraw/zinc/94/44/93/928944493.db2.gz PITJGUQOYOPJCB-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001442381173 928944510 /nfs/dbraw/zinc/94/45/10/928944510.db2.gz PITJGUQOYOPJCB-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@H]1CCOC1 ZINC001442411140 928945234 /nfs/dbraw/zinc/94/52/34/928945234.db2.gz LFHSAUILBZRIGA-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442484426 928947371 /nfs/dbraw/zinc/94/73/71/928947371.db2.gz GXBXBVDIEHCMME-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442484426 928947380 /nfs/dbraw/zinc/94/73/80/928947380.db2.gz GXBXBVDIEHCMME-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@@H]2CCc3ncnn32)n1 ZINC001442482623 928947689 /nfs/dbraw/zinc/94/76/89/928947689.db2.gz CRQNNBURROXDJW-VIFPVBQESA-N 1 1 305.346 -1.349 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2nnnn2c1)[C@H]1CCNC1=O ZINC001442479598 928948661 /nfs/dbraw/zinc/94/86/61/928948661.db2.gz DYEWHCCFELWCHS-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2nnnn2c1)[C@H]1CCNC1=O ZINC001442479598 928948667 /nfs/dbraw/zinc/94/86/67/928948667.db2.gz DYEWHCCFELWCHS-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1ocnc1C ZINC001442482720 928948703 /nfs/dbraw/zinc/94/87/03/928948703.db2.gz CAHVLDOYFPKMII-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)Cc1ocnc1C ZINC001442482720 928948710 /nfs/dbraw/zinc/94/87/10/928948710.db2.gz CAHVLDOYFPKMII-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)c1=O ZINC001442480538 928948778 /nfs/dbraw/zinc/94/87/78/928948778.db2.gz JNIRLVDPHHCCBO-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)c1=O ZINC001442480538 928948785 /nfs/dbraw/zinc/94/87/85/928948785.db2.gz JNIRLVDPHHCCBO-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001442496382 928951184 /nfs/dbraw/zinc/95/11/84/928951184.db2.gz ZBUJKRQJZVBWQA-VHSXEESVSA-N 1 1 320.357 -1.112 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001442492463 928951337 /nfs/dbraw/zinc/95/13/37/928951337.db2.gz XVIXHAWOXQIIHM-LLVKDONJSA-N 1 1 322.431 -1.485 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)C[C@@H](O)COC)ccc1=O ZINC001442547934 928953604 /nfs/dbraw/zinc/95/36/04/928953604.db2.gz CWQWANVVGQPVLV-LLVKDONJSA-N 1 1 312.370 -1.068 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCCNC1=O ZINC001442542329 928954220 /nfs/dbraw/zinc/95/42/20/928954220.db2.gz UNTSWNUQRRWDJB-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCCNC1=O ZINC001442542329 928954230 /nfs/dbraw/zinc/95/42/30/928954230.db2.gz UNTSWNUQRRWDJB-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c(Cl)n1 ZINC001442575457 928954391 /nfs/dbraw/zinc/95/43/91/928954391.db2.gz PVKYYLVBOHQFJS-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c(Cl)n1 ZINC001442575457 928954399 /nfs/dbraw/zinc/95/43/99/928954399.db2.gz PVKYYLVBOHQFJS-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001442607481 928956164 /nfs/dbraw/zinc/95/61/64/928956164.db2.gz WBBIKUJSVWHMOY-BDAKNGLRSA-N 1 1 304.372 -2.385 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001442607481 928956172 /nfs/dbraw/zinc/95/61/72/928956172.db2.gz WBBIKUJSVWHMOY-BDAKNGLRSA-N 1 1 304.372 -2.385 20 0 DAADMO CCN1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)COC)C1 ZINC001442602897 928957143 /nfs/dbraw/zinc/95/71/43/928957143.db2.gz ZGCCTFLBDAQLQK-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957561 /nfs/dbraw/zinc/95/75/61/928957561.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001442596469 928957567 /nfs/dbraw/zinc/95/75/67/928957567.db2.gz BHYNREQIOQMWKO-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccn(C)n1)[C@H](C)C(=O)NC(N)=O ZINC001442660932 928958370 /nfs/dbraw/zinc/95/83/70/928958370.db2.gz HMBNRWQGPLTMFU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccn(C)n1)[C@H](C)C(=O)NC(N)=O ZINC001442660932 928958382 /nfs/dbraw/zinc/95/83/82/928958382.db2.gz HMBNRWQGPLTMFU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H](C)C(=O)N(C)C ZINC001442700762 928960266 /nfs/dbraw/zinc/96/02/66/928960266.db2.gz HXMHHYDIRUNZKH-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H](C)C(=O)N(C)C ZINC001442700762 928960276 /nfs/dbraw/zinc/96/02/76/928960276.db2.gz HXMHHYDIRUNZKH-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccn2nnnc2c1)CC(=O)NC ZINC001442694313 928960520 /nfs/dbraw/zinc/96/05/20/928960520.db2.gz VSEXISAYSJNOMW-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccn2nnnc2c1)CC(=O)NC ZINC001442694313 928960529 /nfs/dbraw/zinc/96/05/29/928960529.db2.gz VSEXISAYSJNOMW-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)c1nnn(C)n1 ZINC001442687698 928960936 /nfs/dbraw/zinc/96/09/36/928960936.db2.gz QRLBCOPSMUREDI-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc2nnnn2c1)CC(=O)NC ZINC001442689272 928961474 /nfs/dbraw/zinc/96/14/74/928961474.db2.gz IBXCSGHZVBHSRV-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc2nnnn2c1)CC(=O)NC ZINC001442689272 928961484 /nfs/dbraw/zinc/96/14/84/928961484.db2.gz IBXCSGHZVBHSRV-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)C(N)=O ZINC001442687917 928961580 /nfs/dbraw/zinc/96/15/80/928961580.db2.gz XMXUMRIUVKDBNU-NSHDSACASA-N 1 1 313.402 -1.928 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)C(N)=O ZINC001442687917 928961591 /nfs/dbraw/zinc/96/15/91/928961591.db2.gz XMXUMRIUVKDBNU-NSHDSACASA-N 1 1 313.402 -1.928 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC(N)=O ZINC001442702824 928961640 /nfs/dbraw/zinc/96/16/40/928961640.db2.gz PROIYQUEPJDLAJ-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC(N)=O ZINC001442702824 928961650 /nfs/dbraw/zinc/96/16/50/928961650.db2.gz PROIYQUEPJDLAJ-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(N)=O ZINC001442678721 928962054 /nfs/dbraw/zinc/96/20/54/928962054.db2.gz MCCNZJQYDNYMCN-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(N)=O ZINC001442678721 928962059 /nfs/dbraw/zinc/96/20/59/928962059.db2.gz MCCNZJQYDNYMCN-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CS(C)(=O)=O ZINC001442744059 928965288 /nfs/dbraw/zinc/96/52/88/928965288.db2.gz ACCLRMFEZMOZEF-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO CCN(CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC(N)=O ZINC001442758457 928965921 /nfs/dbraw/zinc/96/59/21/928965921.db2.gz LZDKJTZSZURNJP-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CCNC(=O)C1CC1 ZINC001442775443 928966085 /nfs/dbraw/zinc/96/60/85/928966085.db2.gz HTJTULAORUPAIE-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001442779409 928966563 /nfs/dbraw/zinc/96/65/63/928966563.db2.gz OXKMPVBWGLTFIZ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001442779402 928966685 /nfs/dbraw/zinc/96/66/85/928966685.db2.gz OXKMPVBWGLTFIZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001442814333 928968179 /nfs/dbraw/zinc/96/81/79/928968179.db2.gz CCGUUXPPGNOPMO-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001442814333 928968186 /nfs/dbraw/zinc/96/81/86/928968186.db2.gz CCGUUXPPGNOPMO-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001442824357 928968319 /nfs/dbraw/zinc/96/83/19/928968319.db2.gz BOBADZSVRROGCW-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001442824347 928968663 /nfs/dbraw/zinc/96/86/63/928968663.db2.gz BOBADZSVRROGCW-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001442851102 928970987 /nfs/dbraw/zinc/97/09/87/928970987.db2.gz HDNJHZNCIRCFIO-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001442854175 928971520 /nfs/dbraw/zinc/97/15/20/928971520.db2.gz IGWPIUSDCOMLBZ-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001442853467 928971665 /nfs/dbraw/zinc/97/16/65/928971665.db2.gz GFUFNJWYRTZRMF-JTQLQIEISA-N 1 1 300.359 -1.985 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001442839975 928971967 /nfs/dbraw/zinc/97/19/67/928971967.db2.gz QZYQQDTUHUCOBC-QWRGUYRKSA-N 1 1 322.369 -1.095 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001442840145 928972301 /nfs/dbraw/zinc/97/23/01/928972301.db2.gz RVDBESYHLUFUKB-JTQLQIEISA-N 1 1 316.387 -1.844 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001442840145 928972309 /nfs/dbraw/zinc/97/23/09/928972309.db2.gz RVDBESYHLUFUKB-JTQLQIEISA-N 1 1 316.387 -1.844 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001442858226 928973569 /nfs/dbraw/zinc/97/35/69/928973569.db2.gz UMYZGDFSUNMDGZ-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001442863408 928974379 /nfs/dbraw/zinc/97/43/79/928974379.db2.gz LZMXUPKBDZHHBW-NSHDSACASA-N 1 1 308.400 -1.522 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2ccnc2)C1 ZINC001442885096 928974547 /nfs/dbraw/zinc/97/45/47/928974547.db2.gz NIKVGCSCQTYRGQ-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001442858456 928974595 /nfs/dbraw/zinc/97/45/95/928974595.db2.gz ARIAMUNRAAXTEE-VHSXEESVSA-N 1 1 310.358 -2.106 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001442881094 928974853 /nfs/dbraw/zinc/97/48/53/928974853.db2.gz LQVZGWDZCGTQSA-QMMMGPOBSA-N 1 1 310.314 -1.423 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001442881094 928974866 /nfs/dbraw/zinc/97/48/66/928974866.db2.gz LQVZGWDZCGTQSA-QMMMGPOBSA-N 1 1 310.314 -1.423 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)NC(N)=O ZINC001442872671 928975245 /nfs/dbraw/zinc/97/52/45/928975245.db2.gz QZJHFKCNILLJOP-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001442859152 928975420 /nfs/dbraw/zinc/97/54/20/928975420.db2.gz XIQMSTACEAVIIF-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001442858231 928975742 /nfs/dbraw/zinc/97/57/42/928975742.db2.gz UMYZGDFSUNMDGZ-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001442892329 928976588 /nfs/dbraw/zinc/97/65/88/928976588.db2.gz PDVNPAXBCSYXPI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001442904983 928977064 /nfs/dbraw/zinc/97/70/64/928977064.db2.gz LIGJMCBBGQLPLK-ONGXEEELSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442893599 928977217 /nfs/dbraw/zinc/97/72/17/928977217.db2.gz XXBCSPVHNBVHCH-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001442904974 928977529 /nfs/dbraw/zinc/97/75/29/928977529.db2.gz LIGJMCBBGQLPLK-MWLCHTKSSA-N 1 1 324.385 -1.798 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001442905829 928977653 /nfs/dbraw/zinc/97/76/53/928977653.db2.gz JBJHKNXHBADOSF-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001442955999 928979255 /nfs/dbraw/zinc/97/92/55/928979255.db2.gz QUYRCIFOEUZGSG-NSHDSACASA-N 1 1 322.369 -1.321 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001442955999 928979269 /nfs/dbraw/zinc/97/92/69/928979269.db2.gz QUYRCIFOEUZGSG-NSHDSACASA-N 1 1 322.369 -1.321 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442947502 928980684 /nfs/dbraw/zinc/98/06/84/928980684.db2.gz VSQYVLFWJFZSRQ-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)Cn1cccn1)C1CC1 ZINC001442980275 928982332 /nfs/dbraw/zinc/98/23/32/928982332.db2.gz MNHGPTVKFFNMCJ-UHFFFAOYSA-N 1 1 308.342 -1.341 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)Cn1cccn1)C1CC1 ZINC001442980275 928982346 /nfs/dbraw/zinc/98/23/46/928982346.db2.gz MNHGPTVKFFNMCJ-UHFFFAOYSA-N 1 1 308.342 -1.341 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001442973000 928982600 /nfs/dbraw/zinc/98/26/00/928982600.db2.gz IPNNOLJWINWLHN-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001442973000 928982607 /nfs/dbraw/zinc/98/26/07/928982607.db2.gz IPNNOLJWINWLHN-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001442980734 928983290 /nfs/dbraw/zinc/98/32/90/928983290.db2.gz FPUWDRQQKYDPHB-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001442980734 928983298 /nfs/dbraw/zinc/98/32/98/928983298.db2.gz FPUWDRQQKYDPHB-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001442984598 928983526 /nfs/dbraw/zinc/98/35/26/928983526.db2.gz WSLPPECARRUBCY-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCNC(=O)CNC(=O)NC)C1CC1 ZINC001443007093 928984500 /nfs/dbraw/zinc/98/45/00/928984500.db2.gz LSAPXVWORDHTDH-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCNC(=O)CNC(=O)NC)C1CC1 ZINC001443007093 928984510 /nfs/dbraw/zinc/98/45/10/928984510.db2.gz LSAPXVWORDHTDH-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001443002056 928985224 /nfs/dbraw/zinc/98/52/24/928985224.db2.gz ZOYVADKNYOPSFM-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001443002056 928985233 /nfs/dbraw/zinc/98/52/33/928985233.db2.gz ZOYVADKNYOPSFM-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cnon3)C2)C1 ZINC001443005808 928985325 /nfs/dbraw/zinc/98/53/25/928985325.db2.gz NBXNOFWVCZXTTF-JTQLQIEISA-N 1 1 323.353 -1.286 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 ZINC001443027482 928987407 /nfs/dbraw/zinc/98/74/07/928987407.db2.gz OBJLDOIHKUGSOG-JTQLQIEISA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)C1CC1 ZINC001443027482 928987430 /nfs/dbraw/zinc/98/74/30/928987430.db2.gz OBJLDOIHKUGSOG-JTQLQIEISA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 ZINC001443027486 928987511 /nfs/dbraw/zinc/98/75/11/928987511.db2.gz OBJLDOIHKUGSOG-SNVBAGLBSA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)C1CC1 ZINC001443027486 928987522 /nfs/dbraw/zinc/98/75/22/928987522.db2.gz OBJLDOIHKUGSOG-SNVBAGLBSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001443065141 928988596 /nfs/dbraw/zinc/98/85/96/928988596.db2.gz YHZQIDKTACNCHX-ONGXEEELSA-N 1 1 305.400 -1.361 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001443157949 928991760 /nfs/dbraw/zinc/99/17/60/928991760.db2.gz GVDHVMAVIKEZGY-CMPLNLGQSA-N 1 1 321.385 -1.270 20 0 DAADMO CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001443190220 928993552 /nfs/dbraw/zinc/99/35/52/928993552.db2.gz RMMLILCAMORLMA-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001443190218 928993787 /nfs/dbraw/zinc/99/37/87/928993787.db2.gz RMMLILCAMORLMA-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001443248931 928996978 /nfs/dbraw/zinc/99/69/78/928996978.db2.gz JAFKFEYZKUTVSY-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+](Cc3ncnn3C)C2)n1 ZINC001443234959 928997003 /nfs/dbraw/zinc/99/70/03/928997003.db2.gz DLXKTJRDBWNCNI-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ncnn3C)C2)n1 ZINC001443234959 928997014 /nfs/dbraw/zinc/99/70/14/928997014.db2.gz DLXKTJRDBWNCNI-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001443257507 928997225 /nfs/dbraw/zinc/99/72/25/928997225.db2.gz QCZSBYJPGBPDAI-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001443244699 928997452 /nfs/dbraw/zinc/99/74/52/928997452.db2.gz JSCGGIKUUIOHJF-SNVBAGLBSA-N 1 1 323.353 -1.738 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001443326982 928998172 /nfs/dbraw/zinc/99/81/72/928998172.db2.gz LJGBSHXWYQYACH-JTQLQIEISA-N 1 1 323.353 -1.786 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443316413 928998549 /nfs/dbraw/zinc/99/85/49/928998549.db2.gz AMTZUCMOFPCZBR-LLVKDONJSA-N 1 1 309.374 -1.458 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001443326994 928998751 /nfs/dbraw/zinc/99/87/51/928998751.db2.gz LJGBSHXWYQYACH-SNVBAGLBSA-N 1 1 323.353 -1.786 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001443325916 928999870 /nfs/dbraw/zinc/99/98/70/928999870.db2.gz RMRHUCLCVUASQG-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337954 929001468 /nfs/dbraw/zinc/00/14/68/929001468.db2.gz MVJCSMHMTVXXRA-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001443405133 929003473 /nfs/dbraw/zinc/00/34/73/929003473.db2.gz DLFDZMALQCKMNB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001443405133 929003479 /nfs/dbraw/zinc/00/34/79/929003479.db2.gz DLFDZMALQCKMNB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001443554961 929013537 /nfs/dbraw/zinc/01/35/37/929013537.db2.gz FPPRROPVOBZZST-UHFFFAOYSA-N 1 1 305.400 -1.237 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)CNC(=O)OC)C1 ZINC001443567481 929014347 /nfs/dbraw/zinc/01/43/47/929014347.db2.gz CLHOSEXMPRJIHN-UHFFFAOYSA-N 1 1 300.359 -1.131 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001443577848 929014370 /nfs/dbraw/zinc/01/43/70/929014370.db2.gz ISKWIOYNEWYWRY-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001443560113 929014838 /nfs/dbraw/zinc/01/48/38/929014838.db2.gz YZURHDNTTNDFQT-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001443579955 929017636 /nfs/dbraw/zinc/01/76/36/929017636.db2.gz JFUYLDULLLOVIS-VIFPVBQESA-N 1 1 311.386 -1.383 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)CCn3cnnn3)C2)C1=O ZINC001443626700 929018177 /nfs/dbraw/zinc/01/81/77/929018177.db2.gz GOMPXSRWMOKCID-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001443623779 929018366 /nfs/dbraw/zinc/01/83/66/929018366.db2.gz PAPHURUUDDQWMT-SNVBAGLBSA-N 1 1 320.415 -1.633 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1)C1CC1 ZINC001443628747 929018514 /nfs/dbraw/zinc/01/85/14/929018514.db2.gz PWEXWGZYAHJLLW-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001443655720 929019398 /nfs/dbraw/zinc/01/93/98/929019398.db2.gz DWNYBHWBOVZKNB-JTQLQIEISA-N 1 1 320.415 -1.762 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)CCn3cnnn3)C2)C1=O ZINC001443626698 929019701 /nfs/dbraw/zinc/01/97/01/929019701.db2.gz GOMPXSRWMOKCID-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001443719592 929022768 /nfs/dbraw/zinc/02/27/68/929022768.db2.gz WPSIATDVKDJMMD-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001443698115 929022894 /nfs/dbraw/zinc/02/28/94/929022894.db2.gz NNCJTURNEADULR-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001443698115 929022909 /nfs/dbraw/zinc/02/29/09/929022909.db2.gz NNCJTURNEADULR-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443711764 929024246 /nfs/dbraw/zinc/02/42/46/929024246.db2.gz FRUAYFONFJPLHG-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001443712612 929024285 /nfs/dbraw/zinc/02/42/85/929024285.db2.gz IHGDOLWQLYPOLZ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001443744024 929025598 /nfs/dbraw/zinc/02/55/98/929025598.db2.gz WRLMCSJMGNVUPP-VHSXEESVSA-N 1 1 308.342 -1.343 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001443744024 929025610 /nfs/dbraw/zinc/02/56/10/929025610.db2.gz WRLMCSJMGNVUPP-VHSXEESVSA-N 1 1 308.342 -1.343 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001443757698 929026458 /nfs/dbraw/zinc/02/64/58/929026458.db2.gz VONUJANDPYXDIX-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001443757698 929026472 /nfs/dbraw/zinc/02/64/72/929026472.db2.gz VONUJANDPYXDIX-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1)C(N)=O ZINC001443774162 929027749 /nfs/dbraw/zinc/02/77/49/929027749.db2.gz UHEDQEGRDJVCEU-IEBDPFPHSA-N 1 1 300.359 -2.062 20 0 DAADMO C[N@@H+](CC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1CCC[C@H]1O ZINC001443766768 929028139 /nfs/dbraw/zinc/02/81/39/929028139.db2.gz PVBGJKCKWMDLOA-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001443805121 929028429 /nfs/dbraw/zinc/02/84/29/929028429.db2.gz PGKKLJJPMYMNOB-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443816575 929029568 /nfs/dbraw/zinc/02/95/68/929029568.db2.gz QMBZKBOGZFHKRT-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443817276 929030381 /nfs/dbraw/zinc/03/03/81/929030381.db2.gz FWWZNGCDYUIYTK-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808429 929030788 /nfs/dbraw/zinc/03/07/88/929030788.db2.gz DIMQQJFBVXHWDH-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808429 929030801 /nfs/dbraw/zinc/03/08/01/929030801.db2.gz DIMQQJFBVXHWDH-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001443826938 929031380 /nfs/dbraw/zinc/03/13/80/929031380.db2.gz YZCDZHXDTABONE-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001443826938 929031392 /nfs/dbraw/zinc/03/13/92/929031392.db2.gz YZCDZHXDTABONE-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443820300 929031787 /nfs/dbraw/zinc/03/17/87/929031787.db2.gz VJSDFHREWSIIGU-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443874609 929034601 /nfs/dbraw/zinc/03/46/01/929034601.db2.gz YBEZYUAVSMMFRJ-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO CC[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001443917183 929036958 /nfs/dbraw/zinc/03/69/58/929036958.db2.gz MIZGLUYKVCRHNI-IUCAKERBSA-N 1 1 312.378 -1.359 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001443974550 929038115 /nfs/dbraw/zinc/03/81/15/929038115.db2.gz AVJCUVYOTURXSJ-ADEWGFFLSA-N 1 1 324.385 -1.168 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056431 929044427 /nfs/dbraw/zinc/04/44/27/929044427.db2.gz IQUQKWXSMZWCTB-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056431 929044440 /nfs/dbraw/zinc/04/44/40/929044440.db2.gz IQUQKWXSMZWCTB-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001444060817 929045881 /nfs/dbraw/zinc/04/58/81/929045881.db2.gz NPROMPJYHQHAPS-NSHDSACASA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001444093662 929051644 /nfs/dbraw/zinc/05/16/44/929051644.db2.gz JGGGCPUHCUCFRD-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444105738 929056323 /nfs/dbraw/zinc/05/63/23/929056323.db2.gz LMGARNHVQMUXBH-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001444111071 929058446 /nfs/dbraw/zinc/05/84/46/929058446.db2.gz BVFOREBAVHCDDF-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444111086 929058516 /nfs/dbraw/zinc/05/85/16/929058516.db2.gz AWYPIGKLDFOGJF-QWRGUYRKSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(C)OCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444108496 929058714 /nfs/dbraw/zinc/05/87/14/929058714.db2.gz JHQWLTMAKCYFRO-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444108496 929058725 /nfs/dbraw/zinc/05/87/25/929058725.db2.gz JHQWLTMAKCYFRO-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001444167105 929073577 /nfs/dbraw/zinc/07/35/77/929073577.db2.gz DLBVBEYXCDQALP-NEPJUHHUSA-N 1 1 313.398 -1.021 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001444179016 929076315 /nfs/dbraw/zinc/07/63/15/929076315.db2.gz WBDVULGGCCELNL-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001444183061 929078265 /nfs/dbraw/zinc/07/82/65/929078265.db2.gz BMQXMHGLFZPWMP-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181266 929079086 /nfs/dbraw/zinc/07/90/86/929079086.db2.gz RCUXCLMECQKVKK-NXEZZACHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181266 929079095 /nfs/dbraw/zinc/07/90/95/929079095.db2.gz RCUXCLMECQKVKK-NXEZZACHSA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001444194636 929082240 /nfs/dbraw/zinc/08/22/40/929082240.db2.gz OLZLKPLWLZIYSA-QWRGUYRKSA-N 1 1 323.353 -1.937 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001444192392 929082784 /nfs/dbraw/zinc/08/27/84/929082784.db2.gz RRAWQZWVDZRNBA-WDEREUQCSA-N 1 1 310.358 -2.177 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnnn2C)CC[N@H+]1C ZINC001444190203 929083147 /nfs/dbraw/zinc/08/31/47/929083147.db2.gz FTVUYIUGWHSCIG-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001444198804 929084568 /nfs/dbraw/zinc/08/45/68/929084568.db2.gz NXOPLYNCYJTKKA-NSHDSACASA-N 1 1 311.386 -1.114 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001444218647 929086574 /nfs/dbraw/zinc/08/65/74/929086574.db2.gz IUIYGCYKCYJXHR-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1nnc[nH]1)C1CCC1 ZINC001444227051 929088736 /nfs/dbraw/zinc/08/87/36/929088736.db2.gz PBILKZFJONNGES-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1)C1CCC1 ZINC001444227051 929088747 /nfs/dbraw/zinc/08/87/47/929088747.db2.gz PBILKZFJONNGES-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1)C1CCC1 ZINC001444227051 929088756 /nfs/dbraw/zinc/08/87/56/929088756.db2.gz PBILKZFJONNGES-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1)C1CCC1 ZINC001444227051 929088768 /nfs/dbraw/zinc/08/87/68/929088768.db2.gz PBILKZFJONNGES-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1)C1CCC1 ZINC001444227051 929088780 /nfs/dbraw/zinc/08/87/80/929088780.db2.gz PBILKZFJONNGES-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224547 929088933 /nfs/dbraw/zinc/08/89/33/929088933.db2.gz XEMDXWFLHMSPHB-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224547 929088943 /nfs/dbraw/zinc/08/89/43/929088943.db2.gz XEMDXWFLHMSPHB-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001444239673 929091815 /nfs/dbraw/zinc/09/18/15/929091815.db2.gz WFFWKAQMLLVAEV-GXSJLCMTSA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001444246857 929092024 /nfs/dbraw/zinc/09/20/24/929092024.db2.gz FPHHYNFTXUREOK-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001444250690 929094058 /nfs/dbraw/zinc/09/40/58/929094058.db2.gz UNEVVXVHRNGNEX-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001444250691 929094181 /nfs/dbraw/zinc/09/41/81/929094181.db2.gz UNEVVXVHRNGNEX-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001444250689 929094786 /nfs/dbraw/zinc/09/47/86/929094786.db2.gz UNEVVXVHRNGNEX-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001444269362 929098118 /nfs/dbraw/zinc/09/81/18/929098118.db2.gz QAFCMTBFYXHEJZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269362 929098129 /nfs/dbraw/zinc/09/81/29/929098129.db2.gz QAFCMTBFYXHEJZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269362 929098142 /nfs/dbraw/zinc/09/81/42/929098142.db2.gz QAFCMTBFYXHEJZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269362 929098152 /nfs/dbraw/zinc/09/81/52/929098152.db2.gz QAFCMTBFYXHEJZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269362 929098163 /nfs/dbraw/zinc/09/81/63/929098163.db2.gz QAFCMTBFYXHEJZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1)[NH+](C)C ZINC001444269195 929098975 /nfs/dbraw/zinc/09/89/75/929098975.db2.gz IJZGEAIXDCRGIS-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1)[NH+](C)C ZINC001444269195 929098987 /nfs/dbraw/zinc/09/89/87/929098987.db2.gz IJZGEAIXDCRGIS-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccncn1 ZINC001444280832 929102349 /nfs/dbraw/zinc/10/23/49/929102349.db2.gz RFSDKBVWOMHWNR-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001444285206 929104267 /nfs/dbraw/zinc/10/42/67/929104267.db2.gz YWAOMHBZJADEIC-SECBINFHSA-N 1 1 308.298 -1.518 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444288693 929104386 /nfs/dbraw/zinc/10/43/86/929104386.db2.gz KTCXCVOYJWMCQQ-QWRGUYRKSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444288693 929104391 /nfs/dbraw/zinc/10/43/91/929104391.db2.gz KTCXCVOYJWMCQQ-QWRGUYRKSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001444293785 929105679 /nfs/dbraw/zinc/10/56/79/929105679.db2.gz XPQFBGZJHNUQGI-MRVPVSSYSA-N 1 1 306.330 -1.139 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001444300085 929106108 /nfs/dbraw/zinc/10/61/08/929106108.db2.gz NPLKGDGGBPLRJH-RYUDHWBXSA-N 1 1 324.381 -1.006 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1)n1cncn1 ZINC001444299978 929106709 /nfs/dbraw/zinc/10/67/09/929106709.db2.gz SANKOWUTEYRTRM-NXEZZACHSA-N 1 1 307.362 -1.095 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001444300077 929106734 /nfs/dbraw/zinc/10/67/34/929106734.db2.gz NPLKGDGGBPLRJH-NEPJUHHUSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2cn[nH]n2)C1 ZINC001444344104 929116085 /nfs/dbraw/zinc/11/60/85/929116085.db2.gz FHGQQUYDCVMZHV-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344104 929116098 /nfs/dbraw/zinc/11/60/98/929116098.db2.gz FHGQQUYDCVMZHV-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344104 929116108 /nfs/dbraw/zinc/11/61/08/929116108.db2.gz FHGQQUYDCVMZHV-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344104 929116115 /nfs/dbraw/zinc/11/61/15/929116115.db2.gz FHGQQUYDCVMZHV-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344104 929116119 /nfs/dbraw/zinc/11/61/19/929116119.db2.gz FHGQQUYDCVMZHV-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444443455 929123840 /nfs/dbraw/zinc/12/38/40/929123840.db2.gz AKBAPVPBMUMXHE-NSHDSACASA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444443455 929123844 /nfs/dbraw/zinc/12/38/44/929123844.db2.gz AKBAPVPBMUMXHE-NSHDSACASA-N 1 1 302.375 -1.495 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444444105 929124032 /nfs/dbraw/zinc/12/40/32/929124032.db2.gz IPFKVIHNFXHZLQ-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444444105 929124037 /nfs/dbraw/zinc/12/40/37/929124037.db2.gz IPFKVIHNFXHZLQ-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486260 929125655 /nfs/dbraw/zinc/12/56/55/929125655.db2.gz QDJUKPQEEVMHJV-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486260 929125665 /nfs/dbraw/zinc/12/56/65/929125665.db2.gz QDJUKPQEEVMHJV-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001444460871 929126051 /nfs/dbraw/zinc/12/60/51/929126051.db2.gz QOHGTCNMLGIFQN-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001444460871 929126058 /nfs/dbraw/zinc/12/60/58/929126058.db2.gz QOHGTCNMLGIFQN-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CN(CCCO)CCO1 ZINC001444463724 929126292 /nfs/dbraw/zinc/12/62/92/929126292.db2.gz FJJQIHJWZCQLIU-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001444460867 929126594 /nfs/dbraw/zinc/12/65/94/929126594.db2.gz QOHGTCNMLGIFQN-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001444460867 929126598 /nfs/dbraw/zinc/12/65/98/929126598.db2.gz QOHGTCNMLGIFQN-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001444570239 929128796 /nfs/dbraw/zinc/12/87/96/929128796.db2.gz JIYCCDAJKAJEON-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cccn1 ZINC001444590733 929132205 /nfs/dbraw/zinc/13/22/05/929132205.db2.gz DOXPKIHZWWCHEA-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CS(C)(=O)=O ZINC001444598496 929132277 /nfs/dbraw/zinc/13/22/77/929132277.db2.gz ZCNAGABWWZPLPZ-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1cc[nH]n1 ZINC001444632353 929136999 /nfs/dbraw/zinc/13/69/99/929136999.db2.gz WZXYAPCAWZXHPL-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632353 929137005 /nfs/dbraw/zinc/13/70/05/929137005.db2.gz WZXYAPCAWZXHPL-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632353 929137011 /nfs/dbraw/zinc/13/70/11/929137011.db2.gz WZXYAPCAWZXHPL-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444655469 929140732 /nfs/dbraw/zinc/14/07/32/929140732.db2.gz RBYDVWPGLYQGBE-ZJUUUORDSA-N 1 1 311.342 -1.430 20 0 DAADMO COC[C@H](OC)C(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001444663224 929142563 /nfs/dbraw/zinc/14/25/63/929142563.db2.gz HAXDKEGBSGSWGB-ZJUUUORDSA-N 1 1 300.363 -1.192 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001444682529 929144917 /nfs/dbraw/zinc/14/49/17/929144917.db2.gz GXIJWOSBYMUHFK-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444702851 929145917 /nfs/dbraw/zinc/14/59/17/929145917.db2.gz VGZGUWUYLLNIDB-WDEREUQCSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444702851 929145926 /nfs/dbraw/zinc/14/59/26/929145926.db2.gz VGZGUWUYLLNIDB-WDEREUQCSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444702851 929145936 /nfs/dbraw/zinc/14/59/36/929145936.db2.gz VGZGUWUYLLNIDB-WDEREUQCSA-N 1 1 324.385 -1.386 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705268 929146287 /nfs/dbraw/zinc/14/62/87/929146287.db2.gz JUXSJAPYXGNQRI-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705268 929146290 /nfs/dbraw/zinc/14/62/90/929146290.db2.gz JUXSJAPYXGNQRI-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705271 929146474 /nfs/dbraw/zinc/14/64/74/929146474.db2.gz JUXSJAPYXGNQRI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705271 929146478 /nfs/dbraw/zinc/14/64/78/929146478.db2.gz JUXSJAPYXGNQRI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nonc1C ZINC001444726351 929150556 /nfs/dbraw/zinc/15/05/56/929150556.db2.gz OYRNOHBJOBQSHP-MRVPVSSYSA-N 1 1 319.387 -1.136 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnnn1C)CC(C)C ZINC001444732625 929151853 /nfs/dbraw/zinc/15/18/53/929151853.db2.gz FIQGXCYSAUYOOO-NSHDSACASA-N 1 1 311.390 -1.033 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1C ZINC001444844496 929155030 /nfs/dbraw/zinc/15/50/30/929155030.db2.gz LHPSCBASAUQWEQ-JTQLQIEISA-N 1 1 307.362 -1.268 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001444955406 929157498 /nfs/dbraw/zinc/15/74/98/929157498.db2.gz VUPITQNOZOGMDC-BDAKNGLRSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001444955406 929157501 /nfs/dbraw/zinc/15/75/01/929157501.db2.gz VUPITQNOZOGMDC-BDAKNGLRSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001444955412 929157641 /nfs/dbraw/zinc/15/76/41/929157641.db2.gz VUPITQNOZOGMDC-IUCAKERBSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001444955412 929157645 /nfs/dbraw/zinc/15/76/45/929157645.db2.gz VUPITQNOZOGMDC-IUCAKERBSA-N 1 1 315.374 -1.515 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1ncn(C)n1 ZINC001444976763 929159439 /nfs/dbraw/zinc/15/94/39/929159439.db2.gz AMUQJOBHEWJVDM-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1ncn(C)n1 ZINC001444976763 929159445 /nfs/dbraw/zinc/15/94/45/929159445.db2.gz AMUQJOBHEWJVDM-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001444980824 929159603 /nfs/dbraw/zinc/15/96/03/929159603.db2.gz VKNGYLQYHGWCSY-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001444980824 929159613 /nfs/dbraw/zinc/15/96/13/929159613.db2.gz VKNGYLQYHGWCSY-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001445028564 929161293 /nfs/dbraw/zinc/16/12/93/929161293.db2.gz BDINEBMBMPBKNN-SSDOTTSWSA-N 1 1 300.319 -2.747 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001445028564 929161298 /nfs/dbraw/zinc/16/12/98/929161298.db2.gz BDINEBMBMPBKNN-SSDOTTSWSA-N 1 1 300.319 -2.747 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001445038340 929161904 /nfs/dbraw/zinc/16/19/04/929161904.db2.gz XKGLLZHIFOOYDG-MNOVXSKESA-N 1 1 311.386 -1.477 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001445026549 929161931 /nfs/dbraw/zinc/16/19/31/929161931.db2.gz HDZVOJQFKHZLMY-WDEREUQCSA-N 1 1 323.401 -1.110 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001445026549 929161939 /nfs/dbraw/zinc/16/19/39/929161939.db2.gz HDZVOJQFKHZLMY-WDEREUQCSA-N 1 1 323.401 -1.110 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001445124835 929164885 /nfs/dbraw/zinc/16/48/85/929164885.db2.gz BHBSZWOACSKHOV-LLVKDONJSA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1)c1nncn1C ZINC001445131472 929164945 /nfs/dbraw/zinc/16/49/45/929164945.db2.gz IUCKFBYTBKGNAA-ONGXEEELSA-N 1 1 307.358 -1.010 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001445142789 929166009 /nfs/dbraw/zinc/16/60/09/929166009.db2.gz ZIAFWTJLCNIMNL-JTQLQIEISA-N 1 1 304.372 -1.969 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)no1 ZINC001445140278 929166332 /nfs/dbraw/zinc/16/63/32/929166332.db2.gz VTTCUSDTQGGRGO-JTQLQIEISA-N 1 1 305.356 -1.406 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001445142661 929166509 /nfs/dbraw/zinc/16/65/09/929166509.db2.gz ZCJPKKKQAJQRPD-ZETCQYMHSA-N 1 1 308.385 -1.851 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)s1 ZINC001445137430 929166684 /nfs/dbraw/zinc/16/66/84/929166684.db2.gz QEAVQYRKCUBNAA-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)nc1 ZINC001445141197 929166983 /nfs/dbraw/zinc/16/69/83/929166983.db2.gz ZAJKWKXJMKMPOF-GFCCVEGCSA-N 1 1 321.381 -1.026 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnn2C)n1 ZINC001445131587 929167003 /nfs/dbraw/zinc/16/70/03/929167003.db2.gz HCKTWQIPZLBFPP-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O)nn1 ZINC001445135589 929167603 /nfs/dbraw/zinc/16/76/03/929167603.db2.gz JGFZOIBUMXHPNI-CABZTGNLSA-N 1 1 312.374 -1.611 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001445146992 929168500 /nfs/dbraw/zinc/16/85/00/929168500.db2.gz IYSIJPKRTBQBRX-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445145162 929169777 /nfs/dbraw/zinc/16/97/77/929169777.db2.gz BJYPCIHVQNNGPE-SECBINFHSA-N 1 1 300.319 -2.262 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001445157923 929170885 /nfs/dbraw/zinc/17/08/85/929170885.db2.gz MIZGCYWXRKMGLJ-QWRGUYRKSA-N 1 1 313.358 -1.720 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)c2C)nn1 ZINC001445153875 929171353 /nfs/dbraw/zinc/17/13/53/929171353.db2.gz HUPBQHFGQSCADK-NSHDSACASA-N 1 1 322.373 -1.385 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnccn1 ZINC001445156790 929171914 /nfs/dbraw/zinc/17/19/14/929171914.db2.gz YTBAJTIQXFUCLH-JTQLQIEISA-N 1 1 320.357 -1.246 20 0 DAADMO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001445158642 929172083 /nfs/dbraw/zinc/17/20/83/929172083.db2.gz OSYBEUYSAAYJNO-STQMWFEESA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CCC(O)CC2)nn1 ZINC001445159008 929172941 /nfs/dbraw/zinc/17/29/41/929172941.db2.gz PQVKRYVRIMFWBJ-KGPNIALWSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001445164598 929173246 /nfs/dbraw/zinc/17/32/46/929173246.db2.gz WCVXKHMEFZRPIS-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001445161787 929173290 /nfs/dbraw/zinc/17/32/90/929173290.db2.gz YJLRESRQPXQSJK-ZJUUUORDSA-N 1 1 309.330 -1.203 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445162869 929173398 /nfs/dbraw/zinc/17/33/98/929173398.db2.gz SUHYKMPDHQBATD-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cccc(=O)[nH]2)nn1 ZINC001445163214 929173664 /nfs/dbraw/zinc/17/36/64/929173664.db2.gz UGCAJQOOVXKBTC-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)n1 ZINC001445164066 929173876 /nfs/dbraw/zinc/17/38/76/929173876.db2.gz SGSHIIOEAOKFLV-NSHDSACASA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2CCC(O)CC2)nn1 ZINC001445159001 929174224 /nfs/dbraw/zinc/17/42/24/929174224.db2.gz PQVKRYVRIMFWBJ-GDKBPFBDSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)OC)nn1 ZINC001445165202 929174320 /nfs/dbraw/zinc/17/43/20/929174320.db2.gz VUWCFBRJSYOOPW-JTQLQIEISA-N 1 1 314.346 -1.779 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)nnn1C ZINC001445161511 929174537 /nfs/dbraw/zinc/17/45/37/929174537.db2.gz RTPNITQHBNXZEF-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cccc(=O)[nH]2)nn1 ZINC001445163208 929174606 /nfs/dbraw/zinc/17/46/06/929174606.db2.gz UGCAJQOOVXKBTC-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)n1 ZINC001445183664 929178261 /nfs/dbraw/zinc/17/82/61/929178261.db2.gz IYBXLVSNZDBKMN-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)o1 ZINC001445182806 929178929 /nfs/dbraw/zinc/17/89/29/929178929.db2.gz NJFUQJPKXLYMGS-ZJUUUORDSA-N 1 1 309.330 -1.203 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)nn1 ZINC001445186541 929179956 /nfs/dbraw/zinc/17/99/56/929179956.db2.gz IVTVGDNOWZHGNK-SNVBAGLBSA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001445188559 929180088 /nfs/dbraw/zinc/18/00/88/929180088.db2.gz KAPHBXVRYWGBJN-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cncs1 ZINC001445192083 929180264 /nfs/dbraw/zinc/18/02/64/929180264.db2.gz URERXGJZKFKQTA-QMMMGPOBSA-N 1 1 311.371 -1.524 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001445194428 929183262 /nfs/dbraw/zinc/18/32/62/929183262.db2.gz ZWXDEKPOFVTPBB-SNVBAGLBSA-N 1 1 317.371 -2.574 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001445200826 929184259 /nfs/dbraw/zinc/18/42/59/929184259.db2.gz WCVPBURQLKZOHK-APPZFPTMSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001445206579 929184759 /nfs/dbraw/zinc/18/47/59/929184759.db2.gz LMANLSZLDYUDOR-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445201149 929185164 /nfs/dbraw/zinc/18/51/64/929185164.db2.gz JVVAXCYUZMLNOG-VIFPVBQESA-N 1 1 312.374 -1.210 20 0 DAADMO Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001445206921 929185321 /nfs/dbraw/zinc/18/53/21/929185321.db2.gz JQLGYSJBBPBOCC-NSHDSACASA-N 1 1 319.365 -1.001 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001445205212 929185672 /nfs/dbraw/zinc/18/56/72/929185672.db2.gz YSOGXXOCWIRBAX-QWRGUYRKSA-N 1 1 307.354 -1.431 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cncn1C)c1nnnn1C ZINC001445212123 929186632 /nfs/dbraw/zinc/18/66/32/929186632.db2.gz WNAYBTOKBARWAB-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cnco1 ZINC001445208671 929186690 /nfs/dbraw/zinc/18/66/90/929186690.db2.gz SLWZPSMKFIEDLQ-SECBINFHSA-N 1 1 307.314 -1.124 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)C1CC1 ZINC001445209015 929187574 /nfs/dbraw/zinc/18/75/74/929187574.db2.gz SDFMSESPERSPDY-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cncn1C)c1nnnn1C ZINC001445212115 929187721 /nfs/dbraw/zinc/18/77/21/929187721.db2.gz WNAYBTOKBARWAB-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001445215299 929188589 /nfs/dbraw/zinc/18/85/89/929188589.db2.gz AHKFYCOLWWMCBD-NSHDSACASA-N 1 1 311.342 -2.327 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)oc1C ZINC001445215289 929188770 /nfs/dbraw/zinc/18/87/70/929188770.db2.gz HMIPFJLSBXHUJC-VIFPVBQESA-N 1 1 309.330 -1.305 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)s1 ZINC001445218966 929188847 /nfs/dbraw/zinc/18/88/47/929188847.db2.gz FHKBXSBJMRNQLI-CBAPKCEASA-N 1 1 315.399 -1.075 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001445216638 929189154 /nfs/dbraw/zinc/18/91/54/929189154.db2.gz VEZBZUTYGHOJMP-QWHCGFSZSA-N 1 1 310.402 -1.134 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)NC1=O ZINC001445221909 929191326 /nfs/dbraw/zinc/19/13/26/929191326.db2.gz IRVIEQWZLKOABE-RKDXNWHRSA-N 1 1 313.383 -1.267 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2cncnc2)nn1 ZINC001445219330 929191574 /nfs/dbraw/zinc/19/15/74/929191574.db2.gz YILLUGWIRIKMJL-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001445233998 929193991 /nfs/dbraw/zinc/19/39/91/929193991.db2.gz OEXAUJRJRRAAKG-VIFPVBQESA-N 1 1 307.314 -2.221 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001445226671 929194629 /nfs/dbraw/zinc/19/46/29/929194629.db2.gz JGDPTGYHMWZHPH-GHMZBOCLSA-N 1 1 310.358 -1.997 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001445240749 929195784 /nfs/dbraw/zinc/19/57/84/929195784.db2.gz HWPPMVQFTKUKRI-VIFPVBQESA-N 1 1 311.371 -1.144 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001445235539 929197228 /nfs/dbraw/zinc/19/72/28/929197228.db2.gz ANFCBDLPUNLTQV-PSASIEDQSA-N 1 1 320.371 -1.821 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001445235544 929197320 /nfs/dbraw/zinc/19/73/20/929197320.db2.gz ANFCBDLPUNLTQV-WPRPVWTQSA-N 1 1 320.371 -1.821 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001445246284 929198150 /nfs/dbraw/zinc/19/81/50/929198150.db2.gz OFCTYMBMGFBTPZ-OUAUKWLOSA-N 1 1 324.385 -1.717 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)[nH]1 ZINC001445244526 929198252 /nfs/dbraw/zinc/19/82/52/929198252.db2.gz DVFXYQHIPPAVNC-NXEZZACHSA-N 1 1 310.358 -1.651 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1n[nH]cc1F ZINC001445244576 929198701 /nfs/dbraw/zinc/19/87/01/929198701.db2.gz WAFDYWNFRQGVSO-MRVPVSSYSA-N 1 1 324.320 -1.249 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001445248928 929199387 /nfs/dbraw/zinc/19/93/87/929199387.db2.gz JDYHIEIRWXGGHI-NSHDSACASA-N 1 1 320.357 -1.460 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445257518 929200183 /nfs/dbraw/zinc/20/01/83/929200183.db2.gz RMRKIQTXCRUYOA-LLVKDONJSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)COc1cccnc1 ZINC001445249171 929200415 /nfs/dbraw/zinc/20/04/15/929200415.db2.gz IGEGNDQDPWOYGW-SNVBAGLBSA-N 1 1 321.341 -1.749 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)N1CCCCC1 ZINC001445256043 929200698 /nfs/dbraw/zinc/20/06/98/929200698.db2.gz PRTIGKOFKOEANB-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)N1CCCCC1 ZINC001445256043 929200713 /nfs/dbraw/zinc/20/07/13/929200713.db2.gz PRTIGKOFKOEANB-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnccn1 ZINC001445251330 929200786 /nfs/dbraw/zinc/20/07/86/929200786.db2.gz RTIFNIBFBXOCMA-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001445257024 929201086 /nfs/dbraw/zinc/20/10/86/929201086.db2.gz PCDHIMHYKXBISZ-SNVBAGLBSA-N 1 1 307.358 -1.344 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001445261768 929204707 /nfs/dbraw/zinc/20/47/07/929204707.db2.gz VTRGITZMCINFPS-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001445269565 929205621 /nfs/dbraw/zinc/20/56/21/929205621.db2.gz KVMFEOJZRVUTLW-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001445268720 929206372 /nfs/dbraw/zinc/20/63/72/929206372.db2.gz KDZFIGKDWQRVND-UWVGGRQHSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268720 929206387 /nfs/dbraw/zinc/20/63/87/929206387.db2.gz KDZFIGKDWQRVND-UWVGGRQHSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001445267099 929206760 /nfs/dbraw/zinc/20/67/60/929206760.db2.gz LKMUAXFDCCZPGN-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncnc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445267520 929206858 /nfs/dbraw/zinc/20/68/58/929206858.db2.gz ANRRGWNRCZJQGY-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001445271754 929207035 /nfs/dbraw/zinc/20/70/35/929207035.db2.gz BSDYEIWVHZXAAX-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001445268057 929207712 /nfs/dbraw/zinc/20/77/12/929207712.db2.gz MQTSMWBECMDBBP-VIFPVBQESA-N 1 1 323.357 -2.267 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445268901 929207962 /nfs/dbraw/zinc/20/79/62/929207962.db2.gz LFNBBTKXJBONAD-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)nn1C ZINC001445275936 929209133 /nfs/dbraw/zinc/20/91/33/929209133.db2.gz CZCIBBAKOHBNMH-SNVBAGLBSA-N 1 1 322.373 -1.614 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001445273750 929209225 /nfs/dbraw/zinc/20/92/25/929209225.db2.gz QWLMOGGPWNVSPI-SNVBAGLBSA-N 1 1 320.353 -1.274 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)nn1 ZINC001445275776 929209578 /nfs/dbraw/zinc/20/95/78/929209578.db2.gz IHTVKGPKISULSI-RYUDHWBXSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2ccccc21 ZINC001445282209 929211378 /nfs/dbraw/zinc/21/13/78/929211378.db2.gz RNIACLGGBUGWAC-SECBINFHSA-N 1 1 305.338 -1.011 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)CN1CCOCC1=O ZINC001445386426 929218514 /nfs/dbraw/zinc/21/85/14/929218514.db2.gz BBVHFSXTMWCISB-SECBINFHSA-N 1 1 313.383 -1.009 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445447292 929219598 /nfs/dbraw/zinc/21/95/98/929219598.db2.gz OMHKFMFZZRNHLN-SFYZADRCSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)ccc1=O ZINC001445414754 929219777 /nfs/dbraw/zinc/21/97/77/929219777.db2.gz YGVJHJBIUVOSJQ-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001445408628 929219824 /nfs/dbraw/zinc/21/98/24/929219824.db2.gz FMCMHVSLUJAHHW-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccon1 ZINC001445394158 929219932 /nfs/dbraw/zinc/21/99/32/929219932.db2.gz GPHGAPJHQYFBER-SECBINFHSA-N 1 1 311.342 -1.479 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001445415019 929220270 /nfs/dbraw/zinc/22/02/70/929220270.db2.gz BKOIKCVTGBLPDQ-LLVKDONJSA-N 1 1 323.401 -1.676 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n1 ZINC001445434111 929221560 /nfs/dbraw/zinc/22/15/60/929221560.db2.gz DMFXHCSAMKDAEO-LDYMZIIASA-N 1 1 309.374 -1.118 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1nnc[nH]1 ZINC001445478619 929223091 /nfs/dbraw/zinc/22/30/91/929223091.db2.gz GAJWIKSPMZMCKE-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCC(=O)NC1=O ZINC001445472790 929223792 /nfs/dbraw/zinc/22/37/92/929223792.db2.gz MUYIRNDUWGMKIE-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001445499279 929227511 /nfs/dbraw/zinc/22/75/11/929227511.db2.gz MNXQRNYACXNLSK-VXGBXAGGSA-N 1 1 323.353 -1.984 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445506525 929228129 /nfs/dbraw/zinc/22/81/29/929228129.db2.gz WVLZTUHJECHWOC-SFYZADRCSA-N 1 1 317.375 -2.504 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001445505817 929228346 /nfs/dbraw/zinc/22/83/46/929228346.db2.gz OOHIOUQRXGGZTO-MVWJERBFSA-N 1 1 310.354 -1.086 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001445521124 929232971 /nfs/dbraw/zinc/23/29/71/929232971.db2.gz MPNKURTWBHWTQL-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001445524199 929234187 /nfs/dbraw/zinc/23/41/87/929234187.db2.gz LYUZBYVBORULIO-VXGBXAGGSA-N 1 1 324.385 -1.694 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001445518598 929234258 /nfs/dbraw/zinc/23/42/58/929234258.db2.gz DYBWQTWMVPXCLD-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001445566829 929235564 /nfs/dbraw/zinc/23/55/64/929235564.db2.gz BKJDIOLLKYWVOL-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2nnnn2C)C1 ZINC001445545839 929236242 /nfs/dbraw/zinc/23/62/42/929236242.db2.gz QLNNFKJJDHNOGN-DTWKUNHWSA-N 1 1 309.374 -1.156 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ncnn2C)nn1 ZINC001445544887 929236567 /nfs/dbraw/zinc/23/65/67/929236567.db2.gz DUAZDDOVVJASKG-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO COc1cnc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)nc1 ZINC001445585345 929238213 /nfs/dbraw/zinc/23/82/13/929238213.db2.gz VKLBSPZTXIQUPH-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CNS(=O)(=O)N(C)C ZINC001445617413 929240523 /nfs/dbraw/zinc/24/05/23/929240523.db2.gz NZAWUAPGXLIOQI-QMMMGPOBSA-N 1 1 320.375 -1.940 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001445631653 929241654 /nfs/dbraw/zinc/24/16/54/929241654.db2.gz WCNUDAXYJLIKFB-TUAOUCFPSA-N 1 1 312.370 -2.238 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445657120 929248340 /nfs/dbraw/zinc/24/83/40/929248340.db2.gz QICVVJZXMMIBLO-IUCAKERBSA-N 1 1 316.387 -1.899 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445668376 929249394 /nfs/dbraw/zinc/24/93/94/929249394.db2.gz DSXBEZZJDUHUQZ-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445668376 929249408 /nfs/dbraw/zinc/24/94/08/929249408.db2.gz DSXBEZZJDUHUQZ-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001445694908 929251441 /nfs/dbraw/zinc/25/14/41/929251441.db2.gz WMBWKFUZZOEGKX-SNVBAGLBSA-N 1 1 315.374 -1.196 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001445694904 929251634 /nfs/dbraw/zinc/25/16/34/929251634.db2.gz WMBWKFUZZOEGKX-JTQLQIEISA-N 1 1 315.374 -1.196 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001445689079 929252943 /nfs/dbraw/zinc/25/29/43/929252943.db2.gz FXIKERGITACSLO-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001445689079 929252956 /nfs/dbraw/zinc/25/29/56/929252956.db2.gz FXIKERGITACSLO-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445681930 929253269 /nfs/dbraw/zinc/25/32/69/929253269.db2.gz ATMMCFGSXBHHRS-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445681930 929253271 /nfs/dbraw/zinc/25/32/71/929253271.db2.gz ATMMCFGSXBHHRS-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCNC(=O)C1CC1 ZINC001445733278 929253961 /nfs/dbraw/zinc/25/39/61/929253961.db2.gz MGIRWKPEAPHRPY-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCNC(=O)C1CC1 ZINC001445733274 929254037 /nfs/dbraw/zinc/25/40/37/929254037.db2.gz MGIRWKPEAPHRPY-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001445727226 929255038 /nfs/dbraw/zinc/25/50/38/929255038.db2.gz FSUFAFWVUPJIBH-UWVGGRQHSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001445727226 929255052 /nfs/dbraw/zinc/25/50/52/929255052.db2.gz FSUFAFWVUPJIBH-UWVGGRQHSA-N 1 1 302.375 -1.599 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001445722592 929255322 /nfs/dbraw/zinc/25/53/22/929255322.db2.gz XUXQERYYUDILSP-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001445722592 929255334 /nfs/dbraw/zinc/25/53/34/929255334.db2.gz XUXQERYYUDILSP-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001445720345 929255392 /nfs/dbraw/zinc/25/53/92/929255392.db2.gz SCCCZEPLLREXJH-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001445720345 929255403 /nfs/dbraw/zinc/25/54/03/929255403.db2.gz SCCCZEPLLREXJH-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001445760009 929257327 /nfs/dbraw/zinc/25/73/27/929257327.db2.gz BIXKOWZOWXRQMZ-VHSXEESVSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001445760009 929257342 /nfs/dbraw/zinc/25/73/42/929257342.db2.gz BIXKOWZOWXRQMZ-VHSXEESVSA-N 1 1 312.374 -1.718 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001445787018 929257455 /nfs/dbraw/zinc/25/74/55/929257455.db2.gz JEUUJJKCAIQNNQ-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001445785288 929257585 /nfs/dbraw/zinc/25/75/85/929257585.db2.gz ZHJYGWITIGGNKI-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001445761431 929258409 /nfs/dbraw/zinc/25/84/09/929258409.db2.gz JLLAHSBBMIPEEA-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001445761431 929258420 /nfs/dbraw/zinc/25/84/20/929258420.db2.gz JLLAHSBBMIPEEA-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001445789757 929258458 /nfs/dbraw/zinc/25/84/58/929258458.db2.gz PKPNLRGUDYMLHD-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001445789757 929258468 /nfs/dbraw/zinc/25/84/68/929258468.db2.gz PKPNLRGUDYMLHD-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001445785291 929258516 /nfs/dbraw/zinc/25/85/16/929258516.db2.gz ZHJYGWITIGGNKI-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)Cn1nc2ccccn2c1=O ZINC001445783959 929258593 /nfs/dbraw/zinc/25/85/93/929258593.db2.gz XRRNBCKFAGEENF-NSHDSACASA-N 1 1 307.354 -1.075 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001445760327 929258804 /nfs/dbraw/zinc/25/88/04/929258804.db2.gz WDQUHTTZHHAXBW-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001445760327 929258814 /nfs/dbraw/zinc/25/88/14/929258814.db2.gz WDQUHTTZHHAXBW-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001445823284 929259789 /nfs/dbraw/zinc/25/97/89/929259789.db2.gz SGQRUSJFZRTGAK-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001445823284 929259800 /nfs/dbraw/zinc/25/98/00/929259800.db2.gz SGQRUSJFZRTGAK-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cccnn1 ZINC001445833607 929260399 /nfs/dbraw/zinc/26/03/99/929260399.db2.gz ODGZKSLXTUKVSY-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccnn1 ZINC001445833607 929260412 /nfs/dbraw/zinc/26/04/12/929260412.db2.gz ODGZKSLXTUKVSY-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001445823461 929260738 /nfs/dbraw/zinc/26/07/38/929260738.db2.gz VQVYHZFROJVVRC-VHSXEESVSA-N 1 1 310.420 -1.800 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001445867937 929261789 /nfs/dbraw/zinc/26/17/89/929261789.db2.gz JBCHKZCYHHDBLS-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001445867937 929261797 /nfs/dbraw/zinc/26/17/97/929261797.db2.gz JBCHKZCYHHDBLS-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001445876707 929262249 /nfs/dbraw/zinc/26/22/49/929262249.db2.gz UJASIMWVUCGZLA-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001445859716 929262531 /nfs/dbraw/zinc/26/25/31/929262531.db2.gz YFDUHMQKUCPNOI-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001445859716 929262542 /nfs/dbraw/zinc/26/25/42/929262542.db2.gz YFDUHMQKUCPNOI-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001445868865 929262575 /nfs/dbraw/zinc/26/25/75/929262575.db2.gz IIMNXIQYWWBXOW-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001445868865 929262584 /nfs/dbraw/zinc/26/25/84/929262584.db2.gz IIMNXIQYWWBXOW-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870204 929262731 /nfs/dbraw/zinc/26/27/31/929262731.db2.gz MZVICQCOGQCYES-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870204 929262733 /nfs/dbraw/zinc/26/27/33/929262733.db2.gz MZVICQCOGQCYES-IUCAKERBSA-N 1 1 308.404 -1.893 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001445890944 929263908 /nfs/dbraw/zinc/26/39/08/929263908.db2.gz XWXQNGOYFPOFKL-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001445890944 929263919 /nfs/dbraw/zinc/26/39/19/929263919.db2.gz XWXQNGOYFPOFKL-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001445963820 929264588 /nfs/dbraw/zinc/26/45/88/929264588.db2.gz XAZNFMOOCJQRJR-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(C[NH2+]C[C@@H](NC(=O)c1cnn[nH]1)C1CC1)N1CCOCC1 ZINC001445960724 929265369 /nfs/dbraw/zinc/26/53/69/929265369.db2.gz QTJQKWMAOKYHDB-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001445963825 929266317 /nfs/dbraw/zinc/26/63/17/929266317.db2.gz XAZNFMOOCJQRJR-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001445997863 929268130 /nfs/dbraw/zinc/26/81/30/929268130.db2.gz JHXABWLFXMBDDH-GHMZBOCLSA-N 1 1 317.357 -1.357 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001445979713 929268344 /nfs/dbraw/zinc/26/83/44/929268344.db2.gz AQTPKHKXKAZTQM-MNOVXSKESA-N 1 1 321.385 -1.137 20 0 DAADMO CCN(C)C(=O)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001446033216 929271109 /nfs/dbraw/zinc/27/11/09/929271109.db2.gz DNAMILBCZMAAIS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001446033216 929271120 /nfs/dbraw/zinc/27/11/20/929271120.db2.gz DNAMILBCZMAAIS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)OC ZINC001446079054 929272230 /nfs/dbraw/zinc/27/22/30/929272230.db2.gz WVUUYYYNXKTUFZ-UWVGGRQHSA-N 1 1 308.404 -1.734 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001446057963 929273392 /nfs/dbraw/zinc/27/33/92/929273392.db2.gz MCCWUFZOGHDNRJ-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001446057968 929273482 /nfs/dbraw/zinc/27/34/82/929273482.db2.gz MCCWUFZOGHDNRJ-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092070 929274159 /nfs/dbraw/zinc/27/41/59/929274159.db2.gz JQRWGZSRAYJJIX-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092070 929274170 /nfs/dbraw/zinc/27/41/70/929274170.db2.gz JQRWGZSRAYJJIX-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001446113690 929275396 /nfs/dbraw/zinc/27/53/96/929275396.db2.gz ALJWOKOYWUTJLP-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001446113690 929275404 /nfs/dbraw/zinc/27/54/04/929275404.db2.gz ALJWOKOYWUTJLP-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)Nc1ccon1 ZINC001446223134 929283898 /nfs/dbraw/zinc/28/38/98/929283898.db2.gz HOOVBFHCVVAFFF-QMMMGPOBSA-N 1 1 322.325 -1.467 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001446363222 929287070 /nfs/dbraw/zinc/28/70/70/929287070.db2.gz SQKRLAZIOQETFI-GFCCVEGCSA-N 1 1 322.406 -1.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001446363383 929287738 /nfs/dbraw/zinc/28/77/38/929287738.db2.gz SQKRLAZIOQETFI-LBPRGKRZSA-N 1 1 322.406 -1.066 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001446398447 929289059 /nfs/dbraw/zinc/28/90/59/929289059.db2.gz KLOBUVALLXAMAF-ZYHUDNBSSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@]1(NC(=O)Cc2ccon2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446524485 929295826 /nfs/dbraw/zinc/29/58/26/929295826.db2.gz QLCXYFJSCDRVRE-ZDUSSCGKSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@]1(NC(=O)Cc2ccon2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446524485 929295836 /nfs/dbraw/zinc/29/58/36/929295836.db2.gz QLCXYFJSCDRVRE-ZDUSSCGKSA-N 1 1 309.326 -1.007 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446513562 929296252 /nfs/dbraw/zinc/29/62/52/929296252.db2.gz CKJPZHRNYCMWPU-ZDUSSCGKSA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446513562 929296260 /nfs/dbraw/zinc/29/62/60/929296260.db2.gz CKJPZHRNYCMWPU-ZDUSSCGKSA-N 1 1 313.358 -1.760 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001446506624 929297192 /nfs/dbraw/zinc/29/71/92/929297192.db2.gz PGOFYZSGUMGGRR-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCNC(N)=O)C1 ZINC001446563875 929298419 /nfs/dbraw/zinc/29/84/19/929298419.db2.gz PHDGHGQAAXGWIZ-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cnnn3C)C2)n1 ZINC001446573825 929300973 /nfs/dbraw/zinc/30/09/73/929300973.db2.gz HFTYXVIHPWSJMS-CYBMUJFWSA-N 1 1 319.373 -1.019 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001446734966 929304503 /nfs/dbraw/zinc/30/45/03/929304503.db2.gz GZXFMWQIYOHJPC-UFBFGSQYSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001446734966 929304510 /nfs/dbraw/zinc/30/45/10/929304510.db2.gz GZXFMWQIYOHJPC-UFBFGSQYSA-N 1 1 313.383 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001446735587 929304894 /nfs/dbraw/zinc/30/48/94/929304894.db2.gz IERWGZIUKSOWJX-TZMCWYRMSA-N 1 1 312.370 -1.557 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001446734251 929306813 /nfs/dbraw/zinc/30/68/13/929306813.db2.gz FSQSQIHBNKSATQ-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001446734251 929306821 /nfs/dbraw/zinc/30/68/21/929306821.db2.gz FSQSQIHBNKSATQ-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746749 929309089 /nfs/dbraw/zinc/30/90/89/929309089.db2.gz SVFHJNXNEPXQKZ-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746749 929309100 /nfs/dbraw/zinc/30/91/00/929309100.db2.gz SVFHJNXNEPXQKZ-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446744872 929309169 /nfs/dbraw/zinc/30/91/69/929309169.db2.gz YGQWRLDDMJQKNQ-FZMZJTMJSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001446741774 929309446 /nfs/dbraw/zinc/30/94/46/929309446.db2.gz SNZQSYSVTIFWNJ-NHYWBVRUSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001446741774 929309454 /nfs/dbraw/zinc/30/94/54/929309454.db2.gz SNZQSYSVTIFWNJ-NHYWBVRUSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001446741803 929309511 /nfs/dbraw/zinc/30/95/11/929309511.db2.gz SBXRGQPTZYCHPD-IUODEOHRSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001446741785 929309692 /nfs/dbraw/zinc/30/96/92/929309692.db2.gz SNZQSYSVTIFWNJ-XHDPSFHLSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001446741785 929309704 /nfs/dbraw/zinc/30/97/04/929309704.db2.gz SNZQSYSVTIFWNJ-XHDPSFHLSA-N 1 1 323.397 -1.002 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001446741540 929309796 /nfs/dbraw/zinc/30/97/96/929309796.db2.gz XRHNDUXVUHAOFY-BXUZGUMPSA-N 1 1 307.354 -1.193 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 ZINC001446751213 929309833 /nfs/dbraw/zinc/30/98/33/929309833.db2.gz BFWGOXDGXGUJKK-CQSZACIVSA-N 1 1 323.353 -1.363 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c2)C1 ZINC001446751213 929309843 /nfs/dbraw/zinc/30/98/43/929309843.db2.gz BFWGOXDGXGUJKK-CQSZACIVSA-N 1 1 323.353 -1.363 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751545 929309979 /nfs/dbraw/zinc/30/99/79/929309979.db2.gz BYHBFYNPBCDWSH-XHDPSFHLSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751545 929309994 /nfs/dbraw/zinc/30/99/94/929309994.db2.gz BYHBFYNPBCDWSH-XHDPSFHLSA-N 1 1 321.381 -1.164 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446747593 929310421 /nfs/dbraw/zinc/31/04/21/929310421.db2.gz CSBUWSHZFAUIKB-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446747593 929310436 /nfs/dbraw/zinc/31/04/36/929310436.db2.gz CSBUWSHZFAUIKB-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760231 929311809 /nfs/dbraw/zinc/31/18/09/929311809.db2.gz NQEMEFYZJPRBCJ-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760231 929311823 /nfs/dbraw/zinc/31/18/23/929311823.db2.gz NQEMEFYZJPRBCJ-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001446760356 929311980 /nfs/dbraw/zinc/31/19/80/929311980.db2.gz PHQXEDUOQSTZHU-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446760558 929312339 /nfs/dbraw/zinc/31/23/39/929312339.db2.gz BQXHECNKLPVOLQ-CYBMUJFWSA-N 1 1 320.357 -1.690 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446760558 929312355 /nfs/dbraw/zinc/31/23/55/929312355.db2.gz BQXHECNKLPVOLQ-CYBMUJFWSA-N 1 1 320.357 -1.690 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753686 929312760 /nfs/dbraw/zinc/31/27/60/929312760.db2.gz DOJJDRYQJMASTQ-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753686 929312771 /nfs/dbraw/zinc/31/27/71/929312771.db2.gz DOJJDRYQJMASTQ-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO COc1ccncc1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446753551 929312958 /nfs/dbraw/zinc/31/29/58/929312958.db2.gz CSZPMFFKAZILHN-OAHLLOKOSA-N 1 1 322.365 -1.329 20 0 DAADMO COc1ccncc1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446753551 929312968 /nfs/dbraw/zinc/31/29/68/929312968.db2.gz CSZPMFFKAZILHN-OAHLLOKOSA-N 1 1 322.365 -1.329 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CCC3)C2)c1=O ZINC001446761326 929312983 /nfs/dbraw/zinc/31/29/83/929312983.db2.gz PAAWMGDDYNMHFR-HNNXBMFYSA-N 1 1 323.397 -1.065 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446754285 929313408 /nfs/dbraw/zinc/31/34/08/929313408.db2.gz JAYZQKRDQJORLK-HNNXBMFYSA-N 1 1 323.397 -1.186 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446754285 929313419 /nfs/dbraw/zinc/31/34/19/929313419.db2.gz JAYZQKRDQJORLK-HNNXBMFYSA-N 1 1 323.397 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001446759670 929313617 /nfs/dbraw/zinc/31/36/17/929313617.db2.gz GDPGTWMJAUGSAF-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001446759670 929313629 /nfs/dbraw/zinc/31/36/29/929313629.db2.gz GDPGTWMJAUGSAF-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(C)nn1 ZINC001446756243 929313652 /nfs/dbraw/zinc/31/36/52/929313652.db2.gz UBCXWMYBAKKBDM-CQSZACIVSA-N 1 1 307.354 -1.255 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(C)nn1 ZINC001446756243 929313663 /nfs/dbraw/zinc/31/36/63/929313663.db2.gz UBCXWMYBAKKBDM-CQSZACIVSA-N 1 1 307.354 -1.255 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446756934 929313874 /nfs/dbraw/zinc/31/38/74/929313874.db2.gz IMVTVJYWAFBMIM-WCQYABFASA-N 1 1 312.374 -1.613 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001446758901 929314120 /nfs/dbraw/zinc/31/41/20/929314120.db2.gz LFHDFJLLAQVUNQ-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001446758901 929314128 /nfs/dbraw/zinc/31/41/28/929314128.db2.gz LFHDFJLLAQVUNQ-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001446756973 929314464 /nfs/dbraw/zinc/31/44/64/929314464.db2.gz FVSCUSUFARLUQM-YGRLFVJLSA-N 1 1 324.385 -1.446 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761771 929315247 /nfs/dbraw/zinc/31/52/47/929315247.db2.gz CRUBNTANALJRMS-LKFCYVNXSA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761771 929315255 /nfs/dbraw/zinc/31/52/55/929315255.db2.gz CRUBNTANALJRMS-LKFCYVNXSA-N 1 1 323.353 -1.819 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446765610 929315323 /nfs/dbraw/zinc/31/53/23/929315323.db2.gz HLGGOXASNCAXSJ-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446765610 929315333 /nfs/dbraw/zinc/31/53/33/929315333.db2.gz HLGGOXASNCAXSJ-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446766038 929316793 /nfs/dbraw/zinc/31/67/93/929316793.db2.gz LLGSBGHCAGTKNT-IINYFYTJSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446766038 929316800 /nfs/dbraw/zinc/31/68/00/929316800.db2.gz LLGSBGHCAGTKNT-IINYFYTJSA-N 1 1 313.354 -1.761 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001446762906 929316860 /nfs/dbraw/zinc/31/68/60/929316860.db2.gz IEYZOXRCEHLNKQ-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001446769189 929317496 /nfs/dbraw/zinc/31/74/96/929317496.db2.gz ZUTSCELFNJIGPL-ZUZCIYMTSA-N 1 1 323.397 -1.059 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001446769189 929317507 /nfs/dbraw/zinc/31/75/07/929317507.db2.gz ZUTSCELFNJIGPL-ZUZCIYMTSA-N 1 1 323.397 -1.059 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001446764957 929317619 /nfs/dbraw/zinc/31/76/19/929317619.db2.gz UNJXPWOJMXRHJP-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001446764957 929317625 /nfs/dbraw/zinc/31/76/25/929317625.db2.gz UNJXPWOJMXRHJP-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001446761372 929317710 /nfs/dbraw/zinc/31/77/10/929317710.db2.gz PQPBWZZJTPHBBW-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001446769185 929317751 /nfs/dbraw/zinc/31/77/51/929317751.db2.gz ZUTSCELFNJIGPL-BONVTDFDSA-N 1 1 323.397 -1.059 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001446769185 929317756 /nfs/dbraw/zinc/31/77/56/929317756.db2.gz ZUTSCELFNJIGPL-BONVTDFDSA-N 1 1 323.397 -1.059 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446765555 929317803 /nfs/dbraw/zinc/31/78/03/929317803.db2.gz YJDNJUJMYDZBNT-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001446763993 929317858 /nfs/dbraw/zinc/31/78/58/929317858.db2.gz NNCNCNOCKSKHLJ-OAHLLOKOSA-N 1 1 313.398 -1.067 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001446763993 929317869 /nfs/dbraw/zinc/31/78/69/929317869.db2.gz NNCNCNOCKSKHLJ-OAHLLOKOSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446769305 929317888 /nfs/dbraw/zinc/31/78/88/929317888.db2.gz CSDIRWFDKPLUGN-BXUZGUMPSA-N 1 1 324.385 -1.657 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001446763988 929317996 /nfs/dbraw/zinc/31/79/96/929317996.db2.gz NNCNCNOCKSKHLJ-HNNXBMFYSA-N 1 1 313.398 -1.067 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001446763988 929318006 /nfs/dbraw/zinc/31/80/06/929318006.db2.gz NNCNCNOCKSKHLJ-HNNXBMFYSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001446773532 929318514 /nfs/dbraw/zinc/31/85/14/929318514.db2.gz NXFXNTOSLAIOLY-IPNGBCKKSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2nnnn2CC1 ZINC001446782066 929318550 /nfs/dbraw/zinc/31/85/50/929318550.db2.gz CCACZNHXDWIWPC-RISCZKNCSA-N 1 1 324.385 -1.829 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446774712 929318998 /nfs/dbraw/zinc/31/89/98/929318998.db2.gz XRGVBHAPHYPAHD-CYBMUJFWSA-N 1 1 310.358 -1.789 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446774712 929319006 /nfs/dbraw/zinc/31/90/06/929319006.db2.gz XRGVBHAPHYPAHD-CYBMUJFWSA-N 1 1 310.358 -1.789 20 0 DAADMO NC(=O)CN1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783443 929319024 /nfs/dbraw/zinc/31/90/24/929319024.db2.gz OTZIJDYEVLGDAM-CQSZACIVSA-N 1 1 314.386 -2.253 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001446776934 929319237 /nfs/dbraw/zinc/31/92/37/929319237.db2.gz VRIMOZBGQUUVIF-RNCFNFMXSA-N 1 1 318.349 -1.128 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001446776934 929319249 /nfs/dbraw/zinc/31/92/49/929319249.db2.gz VRIMOZBGQUUVIF-RNCFNFMXSA-N 1 1 318.349 -1.128 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001446773554 929319505 /nfs/dbraw/zinc/31/95/05/929319505.db2.gz NXFXNTOSLAIOLY-QCPCCJPKSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001446773505 929320260 /nfs/dbraw/zinc/32/02/60/929320260.db2.gz NXFXNTOSLAIOLY-CRQFQMBKSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2nnnn2CC1 ZINC001446782062 929320279 /nfs/dbraw/zinc/32/02/79/929320279.db2.gz CCACZNHXDWIWPC-BXUZGUMPSA-N 1 1 324.385 -1.829 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001446771757 929320472 /nfs/dbraw/zinc/32/04/72/929320472.db2.gz SVZYROPEZPPAFP-SCRDCRAPSA-N 1 1 304.387 -1.436 20 0 DAADMO CO[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)c1cnn(C)c1 ZINC001446779763 929321327 /nfs/dbraw/zinc/32/13/27/929321327.db2.gz VEGNHFNRUWHSDT-GXTWGEPZSA-N 1 1 312.370 -1.347 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446792311 929322425 /nfs/dbraw/zinc/32/24/25/929322425.db2.gz FAZNHVNDNXXPDX-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001446791645 929322453 /nfs/dbraw/zinc/32/24/53/929322453.db2.gz KYGKLJZYFHNDJL-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001446791645 929322460 /nfs/dbraw/zinc/32/24/60/929322460.db2.gz KYGKLJZYFHNDJL-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001446798948 929322673 /nfs/dbraw/zinc/32/26/73/929322673.db2.gz FYDGZLBCKZAMEW-LKFCYVNXSA-N 1 1 310.354 -1.339 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001446798967 929323057 /nfs/dbraw/zinc/32/30/57/929323057.db2.gz FYDGZLBCKZAMEW-OTYXRUKQSA-N 1 1 310.354 -1.339 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001446784843 929323085 /nfs/dbraw/zinc/32/30/85/929323085.db2.gz SPDLONNQDLLFFP-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001446784843 929323096 /nfs/dbraw/zinc/32/30/96/929323096.db2.gz SPDLONNQDLLFFP-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001446784843 929323109 /nfs/dbraw/zinc/32/31/09/929323109.db2.gz SPDLONNQDLLFFP-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n(C)n1 ZINC001446793983 929323218 /nfs/dbraw/zinc/32/32/18/929323218.db2.gz BAYIHKRYGVBPHD-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n(C)n1 ZINC001446793983 929323231 /nfs/dbraw/zinc/32/32/31/929323231.db2.gz BAYIHKRYGVBPHD-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446785924 929323772 /nfs/dbraw/zinc/32/37/72/929323772.db2.gz GEZBFGRKRNYPPE-BXUZGUMPSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446785924 929323786 /nfs/dbraw/zinc/32/37/86/929323786.db2.gz GEZBFGRKRNYPPE-BXUZGUMPSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001446794554 929323874 /nfs/dbraw/zinc/32/38/74/929323874.db2.gz NYARRHKBRXOXPE-OTYXRUKQSA-N 1 1 310.354 -1.339 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446789954 929324470 /nfs/dbraw/zinc/32/44/70/929324470.db2.gz FWPOBNSWDVLJOD-DOMZBBRYSA-N 1 1 306.366 -1.001 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446789954 929324484 /nfs/dbraw/zinc/32/44/84/929324484.db2.gz FWPOBNSWDVLJOD-DOMZBBRYSA-N 1 1 306.366 -1.001 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)CCC2 ZINC001446799445 929324686 /nfs/dbraw/zinc/32/46/86/929324686.db2.gz IEEQWAXCBLZEDF-HNNXBMFYSA-N 1 1 321.381 -1.439 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)CCC2 ZINC001446799445 929324692 /nfs/dbraw/zinc/32/46/92/929324692.db2.gz IEEQWAXCBLZEDF-HNNXBMFYSA-N 1 1 321.381 -1.439 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001446790130 929324909 /nfs/dbraw/zinc/32/49/09/929324909.db2.gz HGOYYXPUTHMNPD-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001446805824 929325509 /nfs/dbraw/zinc/32/55/09/929325509.db2.gz KIKSYZKOSNVLBW-AWEZNQCLSA-N 1 1 310.354 -1.337 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446810547 929326196 /nfs/dbraw/zinc/32/61/96/929326196.db2.gz DLDCNJZLUOCNQT-ZDUSSCGKSA-N 1 1 311.342 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446810547 929326202 /nfs/dbraw/zinc/32/62/02/929326202.db2.gz DLDCNJZLUOCNQT-ZDUSSCGKSA-N 1 1 311.342 -1.367 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001446807490 929326340 /nfs/dbraw/zinc/32/63/40/929326340.db2.gz MIFULYXZMRXPJD-FZMZJTMJSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001446807490 929326349 /nfs/dbraw/zinc/32/63/49/929326349.db2.gz MIFULYXZMRXPJD-FZMZJTMJSA-N 1 1 322.369 -1.647 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001446801424 929326635 /nfs/dbraw/zinc/32/66/35/929326635.db2.gz RPXAVEJGLFRXGL-ABAIWWIYSA-N 1 1 323.397 -1.052 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001446806308 929326668 /nfs/dbraw/zinc/32/66/68/929326668.db2.gz PJXPIVDTHZPZOJ-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001446806308 929326679 /nfs/dbraw/zinc/32/66/79/929326679.db2.gz PJXPIVDTHZPZOJ-IUODEOHRSA-N 1 1 321.381 -1.042 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001446804895 929327000 /nfs/dbraw/zinc/32/70/00/929327000.db2.gz KAEAXRVIVYXIQP-GFCCVEGCSA-N 1 1 317.296 -1.070 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001446804895 929327011 /nfs/dbraw/zinc/32/70/11/929327011.db2.gz KAEAXRVIVYXIQP-GFCCVEGCSA-N 1 1 317.296 -1.070 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001446801910 929327607 /nfs/dbraw/zinc/32/76/07/929327607.db2.gz HMZYKXNWYJKHBP-HNNXBMFYSA-N 1 1 324.381 -1.167 20 0 DAADMO COCc1nocc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446800500 929327637 /nfs/dbraw/zinc/32/76/37/929327637.db2.gz IWGUXFPFLUIKMM-CYBMUJFWSA-N 1 1 312.326 -1.527 20 0 DAADMO COCc1nocc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446800500 929327642 /nfs/dbraw/zinc/32/76/42/929327642.db2.gz IWGUXFPFLUIKMM-CYBMUJFWSA-N 1 1 312.326 -1.527 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446810439 929327956 /nfs/dbraw/zinc/32/79/56/929327956.db2.gz CFKCYMGPOBJUBF-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446810439 929327963 /nfs/dbraw/zinc/32/79/63/929327963.db2.gz CFKCYMGPOBJUBF-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001446801428 929328091 /nfs/dbraw/zinc/32/80/91/929328091.db2.gz RPXAVEJGLFRXGL-IAQYHMDHSA-N 1 1 323.397 -1.052 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001446820111 929329108 /nfs/dbraw/zinc/32/91/08/929329108.db2.gz SYZMBLXZJMYDIS-NHYWBVRUSA-N 1 1 311.382 -1.159 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001446820111 929329119 /nfs/dbraw/zinc/32/91/19/929329119.db2.gz SYZMBLXZJMYDIS-NHYWBVRUSA-N 1 1 311.382 -1.159 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446851080 929336564 /nfs/dbraw/zinc/33/65/64/929336564.db2.gz WOYQPZOKCDXHGN-CYBMUJFWSA-N 1 1 322.413 -1.038 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446856675 929340694 /nfs/dbraw/zinc/34/06/94/929340694.db2.gz WRJHZFDFLPNGDU-UHFFFAOYSA-N 1 1 322.413 -1.038 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001446857758 929341547 /nfs/dbraw/zinc/34/15/47/929341547.db2.gz QGPHKHYMXZPGGF-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001446862334 929342256 /nfs/dbraw/zinc/34/22/56/929342256.db2.gz QBXXNYVVUSQZND-SNVBAGLBSA-N 1 1 308.338 -1.417 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001446884239 929346199 /nfs/dbraw/zinc/34/61/99/929346199.db2.gz CHQUNKJMBNATGO-UHFFFAOYSA-N 1 1 324.385 -1.250 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001446895194 929348055 /nfs/dbraw/zinc/34/80/55/929348055.db2.gz PBPXRCIUWOBJNO-UHFFFAOYSA-N 1 1 324.381 -1.484 20 0 DAADMO CCn1cc(CN2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)nn1 ZINC001446898667 929348276 /nfs/dbraw/zinc/34/82/76/929348276.db2.gz YFMQOMNIPCTPGB-UHFFFAOYSA-N 1 1 319.369 -1.073 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001446898037 929348555 /nfs/dbraw/zinc/34/85/55/929348555.db2.gz MMXZHNYDBDLLAR-LLVKDONJSA-N 1 1 314.386 -1.366 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001446946277 929354450 /nfs/dbraw/zinc/35/44/50/929354450.db2.gz WOKBWPRQPJLOTG-ZJUUUORDSA-N 1 1 324.389 -1.534 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001446946275 929354986 /nfs/dbraw/zinc/35/49/86/929354986.db2.gz WOKBWPRQPJLOTG-VHSXEESVSA-N 1 1 324.389 -1.534 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)c[nH]1 ZINC001446964999 929356919 /nfs/dbraw/zinc/35/69/19/929356919.db2.gz YHNUREBKMCIVOM-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@H]3C2)[nH]1 ZINC001446964999 929356936 /nfs/dbraw/zinc/35/69/36/929356936.db2.gz YHNUREBKMCIVOM-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)[nH]1 ZINC001446964999 929356946 /nfs/dbraw/zinc/35/69/46/929356946.db2.gz YHNUREBKMCIVOM-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001447006035 929359044 /nfs/dbraw/zinc/35/90/44/929359044.db2.gz IUBIQEPLAXHTPO-NHYWBVRUSA-N 1 1 313.398 -1.164 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001447009971 929359070 /nfs/dbraw/zinc/35/90/70/929359070.db2.gz ZNMMVFWZWPSVBP-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC001446991717 929360068 /nfs/dbraw/zinc/36/00/68/929360068.db2.gz VWRBLOHRZLOKBV-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001447032016 929360981 /nfs/dbraw/zinc/36/09/81/929360981.db2.gz AAQKZCQRVZTXSJ-ZRUFSTJUSA-N 1 1 311.386 -1.160 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001447032016 929360994 /nfs/dbraw/zinc/36/09/94/929360994.db2.gz AAQKZCQRVZTXSJ-ZRUFSTJUSA-N 1 1 311.386 -1.160 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001447011430 929361021 /nfs/dbraw/zinc/36/10/21/929361021.db2.gz BWGKKMBBGPSRGC-IAQYHMDHSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001447011430 929361033 /nfs/dbraw/zinc/36/10/33/929361033.db2.gz BWGKKMBBGPSRGC-IAQYHMDHSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447018681 929361190 /nfs/dbraw/zinc/36/11/90/929361190.db2.gz SQOCRROGWFKTEI-HNNXBMFYSA-N 1 1 313.398 -1.210 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001447020141 929361486 /nfs/dbraw/zinc/36/14/86/929361486.db2.gz MXGJXHWUNGBJEB-CQSZACIVSA-N 1 1 310.354 -1.027 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)O1 ZINC001447030252 929362810 /nfs/dbraw/zinc/36/28/10/929362810.db2.gz BWBXKJKVISCGKK-WDMOLILDSA-N 1 1 315.370 -2.045 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cccnn1)c1nnnn1C ZINC001447050222 929363734 /nfs/dbraw/zinc/36/37/34/929363734.db2.gz FTOJUJJDVCBABN-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ncccn1)c1nnnn1C ZINC001447055986 929367795 /nfs/dbraw/zinc/36/77/95/929367795.db2.gz PQRYNMCLSAEZDF-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001447110127 929369572 /nfs/dbraw/zinc/36/95/72/929369572.db2.gz XRGRMNBYCIVRNL-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001447110127 929369581 /nfs/dbraw/zinc/36/95/81/929369581.db2.gz XRGRMNBYCIVRNL-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001447110121 929370146 /nfs/dbraw/zinc/37/01/46/929370146.db2.gz XRGRMNBYCIVRNL-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001447110121 929370153 /nfs/dbraw/zinc/37/01/53/929370153.db2.gz XRGRMNBYCIVRNL-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)Cn2cnnn2)CCC1 ZINC001447185960 929375298 /nfs/dbraw/zinc/37/52/98/929375298.db2.gz IMSCQHWOTXQMPB-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1ncc(C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)n1 ZINC001447250317 929378579 /nfs/dbraw/zinc/37/85/79/929378579.db2.gz WQHIGWIRHFLUIX-UHFFFAOYSA-N 1 1 305.346 -1.219 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001447294478 929382763 /nfs/dbraw/zinc/38/27/63/929382763.db2.gz AHQNYOZIQPDPEH-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447310496 929384026 /nfs/dbraw/zinc/38/40/26/929384026.db2.gz RYXRYAKQSDFNDI-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1cnnn1 ZINC001447319056 929384859 /nfs/dbraw/zinc/38/48/59/929384859.db2.gz FVFPIEVTWPWLRX-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC001447301183 929384888 /nfs/dbraw/zinc/38/48/88/929384888.db2.gz DKDZNTVFKFULFM-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC001447308083 929385051 /nfs/dbraw/zinc/38/50/51/929385051.db2.gz QMITUKHKYBVURE-SECBINFHSA-N 1 1 323.357 -1.406 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)N(C)C ZINC001447346322 929385886 /nfs/dbraw/zinc/38/58/86/929385886.db2.gz KOPBWLAPGICRHI-UHFFFAOYSA-N 1 1 301.391 -1.216 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001447327853 929386869 /nfs/dbraw/zinc/38/68/69/929386869.db2.gz XTTISPCLUPHMBD-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)C(=O)c1cn[nH]n1 ZINC001447343628 929386961 /nfs/dbraw/zinc/38/69/61/929386961.db2.gz PXXOPHDKYNILPA-QMMMGPOBSA-N 1 1 311.346 -1.218 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001447327859 929387281 /nfs/dbraw/zinc/38/72/81/929387281.db2.gz XTTISPCLUPHMBD-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001447412751 929390375 /nfs/dbraw/zinc/39/03/75/929390375.db2.gz XZFOOZOOHRASOY-QWRGUYRKSA-N 1 1 324.385 -1.056 20 0 DAADMO C[NH+](C)C1(C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)CCC1 ZINC001447450507 929393419 /nfs/dbraw/zinc/39/34/19/929393419.db2.gz PGVPIDRRMTVDOO-AWEZNQCLSA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC001447565515 929400406 /nfs/dbraw/zinc/40/04/06/929400406.db2.gz WQTNIDRXBXYXKP-QWRGUYRKSA-N 1 1 321.385 -1.056 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001447630505 929403412 /nfs/dbraw/zinc/40/34/12/929403412.db2.gz IIVHEBKJWQJICR-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001447630496 929403649 /nfs/dbraw/zinc/40/36/49/929403649.db2.gz IIVHEBKJWQJICR-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001447637392 929403888 /nfs/dbraw/zinc/40/38/88/929403888.db2.gz KHCVEGSYKHEUHI-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC001447618150 929404169 /nfs/dbraw/zinc/40/41/69/929404169.db2.gz QSZWZJIGQYLMEP-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001447658391 929405214 /nfs/dbraw/zinc/40/52/14/929405214.db2.gz LYRQOZNECBGJJJ-IUCAKERBSA-N 1 1 310.362 -1.782 20 0 DAADMO C[C@H](C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1)n1cncn1 ZINC001447719202 929407575 /nfs/dbraw/zinc/40/75/75/929407575.db2.gz LWGBDYUDXAMFLC-GHMZBOCLSA-N 1 1 324.385 -1.344 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001447739968 929409830 /nfs/dbraw/zinc/40/98/30/929409830.db2.gz SYLRWPJOEDZQEE-LBPRGKRZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001447725571 929409895 /nfs/dbraw/zinc/40/98/95/929409895.db2.gz HRISAOVAUCSAII-QMTHXVAHSA-N 1 1 317.361 -1.068 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CCCC(N)=O)CC1 ZINC001447738564 929410025 /nfs/dbraw/zinc/41/00/25/929410025.db2.gz PCHYXSSCYXLVFX-JTQLQIEISA-N 1 1 314.386 -1.541 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001447737198 929410466 /nfs/dbraw/zinc/41/04/66/929410466.db2.gz FVZISJWYJXFSEJ-NSHDSACASA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001447730437 929410697 /nfs/dbraw/zinc/41/06/97/929410697.db2.gz PHMMBOVZNXNAIV-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001447775532 929411264 /nfs/dbraw/zinc/41/12/64/929411264.db2.gz AYWFXXOKTFFKSH-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001447775532 929411271 /nfs/dbraw/zinc/41/12/71/929411271.db2.gz AYWFXXOKTFFKSH-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCO)c1=O ZINC001447762910 929411809 /nfs/dbraw/zinc/41/18/09/929411809.db2.gz NRDBEKJQMZFRGO-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001447771900 929412170 /nfs/dbraw/zinc/41/21/70/929412170.db2.gz NATVXCIXLNAXOX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001447771900 929412177 /nfs/dbraw/zinc/41/21/77/929412177.db2.gz NATVXCIXLNAXOX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001447762766 929412359 /nfs/dbraw/zinc/41/23/59/929412359.db2.gz MHYQBVWBVAWRDY-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001447762766 929412363 /nfs/dbraw/zinc/41/23/63/929412363.db2.gz MHYQBVWBVAWRDY-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001447852061 929415218 /nfs/dbraw/zinc/41/52/18/929415218.db2.gz CBZURBJPARINPF-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001447852061 929415222 /nfs/dbraw/zinc/41/52/22/929415222.db2.gz CBZURBJPARINPF-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001447856250 929415684 /nfs/dbraw/zinc/41/56/84/929415684.db2.gz URUIVGMPKCYOEJ-KOLCDFICSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001447856250 929415692 /nfs/dbraw/zinc/41/56/92/929415692.db2.gz URUIVGMPKCYOEJ-KOLCDFICSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857541 929415992 /nfs/dbraw/zinc/41/59/92/929415992.db2.gz VRPSTSNTJULQQO-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857541 929415997 /nfs/dbraw/zinc/41/59/97/929415997.db2.gz VRPSTSNTJULQQO-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)nnn1C ZINC001447831997 929416332 /nfs/dbraw/zinc/41/63/32/929416332.db2.gz BUBLGWPUVRKKOH-HTQZYQBOSA-N 1 1 307.362 -1.056 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)nnn1C ZINC001447832005 929416362 /nfs/dbraw/zinc/41/63/62/929416362.db2.gz BUBLGWPUVRKKOH-SFYZADRCSA-N 1 1 307.362 -1.056 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCS(C)(=O)=O ZINC001447938710 929419585 /nfs/dbraw/zinc/41/95/85/929419585.db2.gz FKJPUGIDUVZBEN-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001447948054 929420783 /nfs/dbraw/zinc/42/07/83/929420783.db2.gz OMCVFXYHEZJGEU-VHSXEESVSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001447948049 929421416 /nfs/dbraw/zinc/42/14/16/929421416.db2.gz OMCVFXYHEZJGEU-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@H+](C)CCNS(C)(=O)=O ZINC001448012096 929422900 /nfs/dbraw/zinc/42/29/00/929422900.db2.gz FDAWQNARMBCCHD-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448012096 929422910 /nfs/dbraw/zinc/42/29/10/929422910.db2.gz FDAWQNARMBCCHD-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001448009138 929423598 /nfs/dbraw/zinc/42/35/98/929423598.db2.gz VWCDRXIIPJQLBB-MFKMUULPSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)CC(=O)NC(N)=O ZINC001448034849 929425315 /nfs/dbraw/zinc/42/53/15/929425315.db2.gz CJBVZTDFTHTSBI-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)CC(=O)NC(N)=O ZINC001448034849 929425318 /nfs/dbraw/zinc/42/53/18/929425318.db2.gz CJBVZTDFTHTSBI-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001448030003 929425614 /nfs/dbraw/zinc/42/56/14/929425614.db2.gz BAJZATGAGUHSCN-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001448030003 929425622 /nfs/dbraw/zinc/42/56/22/929425622.db2.gz BAJZATGAGUHSCN-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO COCCn1nc(C(=O)NC[C@@H](C)[N@@H+](C)CCO)ccc1=O ZINC001448065832 929427616 /nfs/dbraw/zinc/42/76/16/929427616.db2.gz YLOHQGGQGGOFEJ-LLVKDONJSA-N 1 1 312.370 -1.068 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072433 929427860 /nfs/dbraw/zinc/42/78/60/929427860.db2.gz RIKWPJHURCFSRY-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072433 929427863 /nfs/dbraw/zinc/42/78/63/929427863.db2.gz RIKWPJHURCFSRY-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448061685 929427944 /nfs/dbraw/zinc/42/79/44/929427944.db2.gz DRRGQJINMVDPFA-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448061685 929427953 /nfs/dbraw/zinc/42/79/53/929427953.db2.gz DRRGQJINMVDPFA-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448061693 929427983 /nfs/dbraw/zinc/42/79/83/929427983.db2.gz DRRGQJINMVDPFA-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448061693 929427988 /nfs/dbraw/zinc/42/79/88/929427988.db2.gz DRRGQJINMVDPFA-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001448075071 929428052 /nfs/dbraw/zinc/42/80/52/929428052.db2.gz OASBDBHSPUALJU-IUCAKERBSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001448075071 929428062 /nfs/dbraw/zinc/42/80/62/929428062.db2.gz OASBDBHSPUALJU-IUCAKERBSA-N 1 1 309.374 -1.073 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448061691 929428281 /nfs/dbraw/zinc/42/82/81/929428281.db2.gz DRRGQJINMVDPFA-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448061691 929428291 /nfs/dbraw/zinc/42/82/91/929428291.db2.gz DRRGQJINMVDPFA-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(F)CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001448076373 929428362 /nfs/dbraw/zinc/42/83/62/929428362.db2.gz CYGAQGCCABJKJQ-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(F)CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448076373 929428370 /nfs/dbraw/zinc/42/83/70/929428370.db2.gz CYGAQGCCABJKJQ-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001448075061 929428450 /nfs/dbraw/zinc/42/84/50/929428450.db2.gz OASBDBHSPUALJU-BDAKNGLRSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001448075061 929428460 /nfs/dbraw/zinc/42/84/60/929428460.db2.gz OASBDBHSPUALJU-BDAKNGLRSA-N 1 1 309.374 -1.073 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448078999 929428512 /nfs/dbraw/zinc/42/85/12/929428512.db2.gz MIWLUBPBSICWKY-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448078999 929428517 /nfs/dbraw/zinc/42/85/17/929428517.db2.gz MIWLUBPBSICWKY-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@]1(F)CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001448076340 929428532 /nfs/dbraw/zinc/42/85/32/929428532.db2.gz CYGAQGCCABJKJQ-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](CNC(=O)[C@]1(F)CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448076340 929428538 /nfs/dbraw/zinc/42/85/38/929428538.db2.gz CYGAQGCCABJKJQ-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCCO ZINC001448069447 929428581 /nfs/dbraw/zinc/42/85/81/929428581.db2.gz NWHUESVOGFEXDB-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCCO ZINC001448069447 929428588 /nfs/dbraw/zinc/42/85/88/929428588.db2.gz NWHUESVOGFEXDB-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(F)CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001448076351 929428846 /nfs/dbraw/zinc/42/88/46/929428846.db2.gz CYGAQGCCABJKJQ-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(F)CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448076351 929428852 /nfs/dbraw/zinc/42/88/52/929428852.db2.gz CYGAQGCCABJKJQ-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001448121595 929429820 /nfs/dbraw/zinc/42/98/20/929429820.db2.gz ZBIVSQYLBRNGEM-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H](C)[N@@H+](C)CCO ZINC001448123026 929429885 /nfs/dbraw/zinc/42/98/85/929429885.db2.gz WTDOXFXHOKDFOL-NXEZZACHSA-N 1 1 313.362 -2.393 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@H+](C)C[C@H](C)O ZINC001448105621 929430393 /nfs/dbraw/zinc/43/03/93/929430393.db2.gz ACEMECWXAFLTNW-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001448088884 929430492 /nfs/dbraw/zinc/43/04/92/929430492.db2.gz LNJKPRKICIDZPU-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)CCc1cn[nH]c1)[N@H+](C)CC(=O)NC(N)=O ZINC001448098103 929431393 /nfs/dbraw/zinc/43/13/93/929431393.db2.gz CHXKHPGJXUCBPG-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](CNC(=O)CCc1cn[nH]c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448098103 929431401 /nfs/dbraw/zinc/43/14/01/929431401.db2.gz CHXKHPGJXUCBPG-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001448137277 929433280 /nfs/dbraw/zinc/43/32/80/929433280.db2.gz ZQLJLCOSKJXOMH-QMMMGPOBSA-N 1 1 306.330 -1.350 20 0 DAADMO CC(=O)NCC(=O)NC1(CCO)C[NH+](CCC[C@@H](C)O)C1 ZINC001448156857 929434346 /nfs/dbraw/zinc/43/43/46/929434346.db2.gz SRUYUILVAMFCDD-LLVKDONJSA-N 1 1 301.387 -1.164 20 0 DAADMO CN(C)C(=O)CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001448162428 929434414 /nfs/dbraw/zinc/43/44/14/929434414.db2.gz NZWRERONAUVMTM-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN([C@@H](C)C(N)=O)C1 ZINC001448177907 929438835 /nfs/dbraw/zinc/43/88/35/929438835.db2.gz IZBJDNSIMDZAMG-NSHDSACASA-N 1 1 309.370 -1.382 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001448187061 929439499 /nfs/dbraw/zinc/43/94/99/929439499.db2.gz UONIOLOTKVSHSK-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO CN(CC(=O)NC1(CCO)C[NH+](CC2CC2)C1)S(C)(=O)=O ZINC001448177922 929439545 /nfs/dbraw/zinc/43/95/45/929439545.db2.gz UQPPMGXOOXINBF-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1ncnn1 ZINC001448214967 929443209 /nfs/dbraw/zinc/44/32/09/929443209.db2.gz FATWPZRYYHPTTO-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](C)C1C[NH+](CCNS(C)(=O)=O)C1 ZINC001448284142 929444963 /nfs/dbraw/zinc/44/49/63/929444963.db2.gz LWJODLBARZPVIL-CMPLNLGQSA-N 1 1 321.443 -1.011 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001448283809 929445453 /nfs/dbraw/zinc/44/54/53/929445453.db2.gz ZLWJKLAJCDEKAF-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448303364 929445541 /nfs/dbraw/zinc/44/55/41/929445541.db2.gz KORXGEDAAOSFHE-YUMQZZPRSA-N 1 1 321.403 -2.650 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001448395783 929448847 /nfs/dbraw/zinc/44/88/47/929448847.db2.gz AAXSAPLFQHXBHG-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001448395783 929448856 /nfs/dbraw/zinc/44/88/56/929448856.db2.gz AAXSAPLFQHXBHG-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001448374180 929449119 /nfs/dbraw/zinc/44/91/19/929449119.db2.gz XAQUPPCKGGZEQI-CYBMUJFWSA-N 1 1 301.343 -1.362 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001448374180 929449130 /nfs/dbraw/zinc/44/91/30/929449130.db2.gz XAQUPPCKGGZEQI-CYBMUJFWSA-N 1 1 301.343 -1.362 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC)[C@@H]2C1 ZINC001448397892 929451499 /nfs/dbraw/zinc/45/14/99/929451499.db2.gz PSKWOBZMSWRPSV-XWLWVQCSSA-N 1 1 312.370 -1.229 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001448411508 929451674 /nfs/dbraw/zinc/45/16/74/929451674.db2.gz OEMXYOAVDZRSAG-RVMXOQNASA-N 1 1 311.382 -1.168 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001448438850 929452335 /nfs/dbraw/zinc/45/23/35/929452335.db2.gz VMBYOJXBOMGHHJ-RTCCRHLQSA-N 1 1 308.338 -1.765 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001448441551 929452762 /nfs/dbraw/zinc/45/27/62/929452762.db2.gz YBEPBDNYYMPUIY-CNDDSTCGSA-N 1 1 314.361 -1.498 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cnoc3)[C@@H]2C1 ZINC001448429708 929452948 /nfs/dbraw/zinc/45/29/48/929452948.db2.gz QFDSTDYYOKSXIM-RTCCRHLQSA-N 1 1 321.337 -1.294 20 0 DAADMO O=C(CCc1cn[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448441264 929453055 /nfs/dbraw/zinc/45/30/55/929453055.db2.gz KKRINADPXDEPSX-FVCCEPFGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448441264 929453061 /nfs/dbraw/zinc/45/30/61/929453061.db2.gz KKRINADPXDEPSX-FVCCEPFGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448441264 929453067 /nfs/dbraw/zinc/45/30/67/929453067.db2.gz KKRINADPXDEPSX-FVCCEPFGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448441264 929453071 /nfs/dbraw/zinc/45/30/71/929453071.db2.gz KKRINADPXDEPSX-FVCCEPFGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448441264 929453079 /nfs/dbraw/zinc/45/30/79/929453079.db2.gz KKRINADPXDEPSX-FVCCEPFGSA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn(C)nn3)[C@@H]2C1 ZINC001448462282 929454580 /nfs/dbraw/zinc/45/45/80/929454580.db2.gz DCVKMVTWYMFBMT-JHEVNIALSA-N 1 1 320.397 -1.085 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001448470500 929455080 /nfs/dbraw/zinc/45/50/80/929455080.db2.gz SRBOPOYLOMEYOA-WCBMZHEXSA-N 1 1 311.342 -1.570 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001448468277 929455471 /nfs/dbraw/zinc/45/54/71/929455471.db2.gz PZAGEDRLSFHHPA-CNDDSTCGSA-N 1 1 319.427 -1.182 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001448480655 929456171 /nfs/dbraw/zinc/45/61/71/929456171.db2.gz IBKFMCIIUDOKKK-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001448480655 929456178 /nfs/dbraw/zinc/45/61/78/929456178.db2.gz IBKFMCIIUDOKKK-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448597122 929458153 /nfs/dbraw/zinc/45/81/53/929458153.db2.gz SRRPOKWFHDNLBQ-SECBINFHSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001448698221 929465825 /nfs/dbraw/zinc/46/58/25/929465825.db2.gz MOJHLNCSVRQIFA-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001448720188 929466774 /nfs/dbraw/zinc/46/67/74/929466774.db2.gz NQJDSZKSZQZHKR-MWLCHTKSSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001448720190 929467164 /nfs/dbraw/zinc/46/71/64/929467164.db2.gz NQJDSZKSZQZHKR-ONGXEEELSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001448720186 929468354 /nfs/dbraw/zinc/46/83/54/929468354.db2.gz NQJDSZKSZQZHKR-KOLCDFICSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001448721070 929468453 /nfs/dbraw/zinc/46/84/53/929468453.db2.gz XQAQAIPGHPNZEW-JTQLQIEISA-N 1 1 323.357 -1.008 20 0 DAADMO CN(CCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448755152 929469097 /nfs/dbraw/zinc/46/90/97/929469097.db2.gz VSGZMLAKWLBXAL-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448755152 929469105 /nfs/dbraw/zinc/46/91/05/929469105.db2.gz VSGZMLAKWLBXAL-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(F)F)N1CCNC(=O)C1 ZINC001448787734 929471311 /nfs/dbraw/zinc/47/13/11/929471311.db2.gz YZXNFLPAHBBPPC-SSDOTTSWSA-N 1 1 308.285 -2.723 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC001448776708 929471914 /nfs/dbraw/zinc/47/19/14/929471914.db2.gz GBGQACFVICHJMJ-CYBMUJFWSA-N 1 1 301.343 -1.761 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448817251 929478099 /nfs/dbraw/zinc/47/80/99/929478099.db2.gz NFOJCKZKPUWSOC-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)n1cccn1 ZINC001448815379 929478760 /nfs/dbraw/zinc/47/87/60/929478760.db2.gz JSCSUMQFTBSTNM-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448820413 929480440 /nfs/dbraw/zinc/48/04/40/929480440.db2.gz QVUYULZZGGWBFP-MRVPVSSYSA-N 1 1 300.319 -2.262 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)C1 ZINC001448825444 929482630 /nfs/dbraw/zinc/48/26/30/929482630.db2.gz RWLVIDLHRITWPV-SNVBAGLBSA-N 1 1 313.383 -1.417 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)nnn1C ZINC001448829442 929487217 /nfs/dbraw/zinc/48/72/17/929487217.db2.gz JSKHQUCWEIBFHV-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@H]1COC(=O)N1 ZINC001448838200 929488889 /nfs/dbraw/zinc/48/88/89/929488889.db2.gz YUOIKIJAXUBAQE-POYBYMJQSA-N 1 1 301.328 -1.787 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001448838321 929490092 /nfs/dbraw/zinc/49/00/92/929490092.db2.gz RGTKDWBKBYHCEL-SNVBAGLBSA-N 1 1 312.374 -1.694 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448839849 929491345 /nfs/dbraw/zinc/49/13/45/929491345.db2.gz SZFIEYYXOKCNRI-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001448853485 929494263 /nfs/dbraw/zinc/49/42/63/929494263.db2.gz BWTQTZPKMVUHSY-RYUDHWBXSA-N 1 1 300.403 -1.341 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001448858980 929497143 /nfs/dbraw/zinc/49/71/43/929497143.db2.gz BNSWCTFPTFIAPE-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001448855868 929497307 /nfs/dbraw/zinc/49/73/07/929497307.db2.gz GRVCRIRAKVPOEI-LLVKDONJSA-N 1 1 324.341 -1.855 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001448859194 929497825 /nfs/dbraw/zinc/49/78/25/929497825.db2.gz FHZRAENBUXMSNV-ZDUSSCGKSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448855449 929497892 /nfs/dbraw/zinc/49/78/92/929497892.db2.gz ZQZBFHKNTABFKX-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1nnnn1C ZINC001448865068 929500529 /nfs/dbraw/zinc/50/05/29/929500529.db2.gz AWDUCNPBEPXJBO-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448887651 929506237 /nfs/dbraw/zinc/50/62/37/929506237.db2.gz KHAXAAJTJGYVPK-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001448887555 929506261 /nfs/dbraw/zinc/50/62/61/929506261.db2.gz JSZPFBZIUWLVOY-WDEREUQCSA-N 1 1 323.353 -1.662 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C1(NC(N)=O)CC1 ZINC001448888294 929506614 /nfs/dbraw/zinc/50/66/14/929506614.db2.gz WVFAGGHTOFTLCM-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO COc1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)co1 ZINC001448887492 929507476 /nfs/dbraw/zinc/50/74/76/929507476.db2.gz VVIKFVQVSNEECC-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001448895780 929510394 /nfs/dbraw/zinc/51/03/94/929510394.db2.gz MHXBTVFYBOYBLA-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001448901201 929510543 /nfs/dbraw/zinc/51/05/43/929510543.db2.gz UFSORVCBYIFMDT-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448901417 929511485 /nfs/dbraw/zinc/51/14/85/929511485.db2.gz ZTXPFAARIZNJOM-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2nnnn2C)C1 ZINC001448911755 929513141 /nfs/dbraw/zinc/51/31/41/929513141.db2.gz SVBZJEGCKYJBHK-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001448914173 929513252 /nfs/dbraw/zinc/51/32/52/929513252.db2.gz WXIUHPFOSCFVAZ-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1C ZINC001448913541 929513650 /nfs/dbraw/zinc/51/36/50/929513650.db2.gz WJUNZHZQMUFYGR-TUAOUCFPSA-N 1 1 309.370 -1.583 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001448913147 929514118 /nfs/dbraw/zinc/51/41/18/929514118.db2.gz VMLUCLWQGKQLBT-WDEREUQCSA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913147 929514124 /nfs/dbraw/zinc/51/41/24/929514124.db2.gz VMLUCLWQGKQLBT-WDEREUQCSA-N 1 1 302.419 -1.095 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ncccn1 ZINC001448915442 929514416 /nfs/dbraw/zinc/51/44/16/929514416.db2.gz AXAQJGMFILEKMI-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2ccccc2=O)n1 ZINC001448936788 929520727 /nfs/dbraw/zinc/52/07/27/929520727.db2.gz DJTWKTKTLMCTKN-ZDUSSCGKSA-N 1 1 319.365 -1.151 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2ccccc2=O)n1 ZINC001448936787 929521260 /nfs/dbraw/zinc/52/12/60/929521260.db2.gz DJTWKTKTLMCTKN-CYBMUJFWSA-N 1 1 319.365 -1.151 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001448947912 929523485 /nfs/dbraw/zinc/52/34/85/929523485.db2.gz ORXNHTZMFCULJH-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448954650 929524307 /nfs/dbraw/zinc/52/43/07/929524307.db2.gz NJXUZEIIDXCYCD-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H](C)c1nnnn1C ZINC001448952762 929525206 /nfs/dbraw/zinc/52/52/06/929525206.db2.gz OYRLKOBCHHWNHO-MNOVXSKESA-N 1 1 313.406 -1.322 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H](C)c1nnnn1C ZINC001448952765 929526303 /nfs/dbraw/zinc/52/63/03/929526303.db2.gz OYRLKOBCHHWNHO-WDEREUQCSA-N 1 1 313.406 -1.322 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2nnnn2C2CC2)C1 ZINC001448950565 929526378 /nfs/dbraw/zinc/52/63/78/929526378.db2.gz IAFKEVBIYVFSQT-MNOVXSKESA-N 1 1 323.401 -1.474 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001448960776 929527072 /nfs/dbraw/zinc/52/70/72/929527072.db2.gz XONOVXPIQUFYSI-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001448976531 929527447 /nfs/dbraw/zinc/52/74/47/929527447.db2.gz DXPRPDIORGLXGD-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CCn3cnnn3)CCC[C@@H]12 ZINC001449011699 929529552 /nfs/dbraw/zinc/52/95/52/929529552.db2.gz JUEFIGSXPCIIFG-BXUZGUMPSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CCNC(N)=O ZINC001449042904 929531843 /nfs/dbraw/zinc/53/18/43/929531843.db2.gz AMQQHTTUEKZMFL-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001449019694 929532712 /nfs/dbraw/zinc/53/27/12/929532712.db2.gz ZGJWBIXPHMGVPI-FZMZJTMJSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnsn1 ZINC001449094391 929536845 /nfs/dbraw/zinc/53/68/45/929536845.db2.gz ONGWGCNBDLLMIX-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001449095234 929537858 /nfs/dbraw/zinc/53/78/58/929537858.db2.gz UIZYGGLCWZSMEL-MWLCHTKSSA-N 1 1 312.374 -1.751 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001449095228 929538244 /nfs/dbraw/zinc/53/82/44/929538244.db2.gz UIZYGGLCWZSMEL-GXSJLCMTSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccnn1C ZINC001449103028 929539367 /nfs/dbraw/zinc/53/93/67/929539367.db2.gz AUMOVTRUBFXQAP-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449100327 929540246 /nfs/dbraw/zinc/54/02/46/929540246.db2.gz WWIDZQWZQOSRJL-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)[C@@H]1CCOC1 ZINC001449104942 929540608 /nfs/dbraw/zinc/54/06/08/929540608.db2.gz CVSADIGHGYJGEM-ZYHUDNBSSA-N 1 1 324.385 -1.047 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001449112168 929541391 /nfs/dbraw/zinc/54/13/91/929541391.db2.gz LLCBKBFCVZEMDH-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1COCCO1 ZINC001449109224 929541771 /nfs/dbraw/zinc/54/17/71/929541771.db2.gz CMZAEYUSIQLYHZ-VHSXEESVSA-N 1 1 314.346 -2.466 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001449112771 929541845 /nfs/dbraw/zinc/54/18/45/929541845.db2.gz GNLUYPMJVBSDJR-SNVBAGLBSA-N 1 1 315.399 -1.075 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2COCCO2)[nH]1 ZINC001449112937 929541889 /nfs/dbraw/zinc/54/18/89/929541889.db2.gz HZYSGUQXLWIEAU-WDEREUQCSA-N 1 1 313.358 -1.563 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2COCCO2)[nH]1 ZINC001449112932 929542091 /nfs/dbraw/zinc/54/20/91/929542091.db2.gz HZYSGUQXLWIEAU-GHMZBOCLSA-N 1 1 313.358 -1.563 20 0 DAADMO CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449112540 929542678 /nfs/dbraw/zinc/54/26/78/929542678.db2.gz NABHEAWEWDEAFE-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]12C[C@H]1COC2 ZINC001449110735 929542809 /nfs/dbraw/zinc/54/28/09/929542809.db2.gz QPQKBSKAAKVPTR-KWBADKCTSA-N 1 1 310.358 -1.845 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001449117196 929543977 /nfs/dbraw/zinc/54/39/77/929543977.db2.gz HYSXJAOAOSLUHV-UHFFFAOYSA-N 1 1 306.330 -1.397 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ncn(C)n1 ZINC001449119353 929544040 /nfs/dbraw/zinc/54/40/40/929544040.db2.gz LVQGCQAECRUFRQ-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001449120344 929544688 /nfs/dbraw/zinc/54/46/88/929544688.db2.gz VENUSOVNMKQIPQ-ZJUUUORDSA-N 1 1 322.373 -1.273 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)oc1C ZINC001449126165 929545962 /nfs/dbraw/zinc/54/59/62/929545962.db2.gz OBIFOUXNNSLVLF-LLVKDONJSA-N 1 1 323.357 -1.113 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC(C)(C)O)c1nnnn1C ZINC001449128262 929546603 /nfs/dbraw/zinc/54/66/03/929546603.db2.gz UYKCSGOXCZZIQS-VHSXEESVSA-N 1 1 314.390 -1.159 20 0 DAADMO CCn1ccnc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001449129093 929546781 /nfs/dbraw/zinc/54/67/81/929546781.db2.gz WLVSIQMYAMRGHQ-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)N1C ZINC001449134972 929547926 /nfs/dbraw/zinc/54/79/26/929547926.db2.gz DTVYZIYNYKYWKH-GHMZBOCLSA-N 1 1 311.342 -1.401 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1csnn1 ZINC001449134750 929548104 /nfs/dbraw/zinc/54/81/04/929548104.db2.gz NGGFXJLEEYFONR-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnnn1C ZINC001449130811 929548812 /nfs/dbraw/zinc/54/88/12/929548812.db2.gz YGFZJQZZSCJIHU-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)N1C ZINC001449134974 929549143 /nfs/dbraw/zinc/54/91/43/929549143.db2.gz DTVYZIYNYKYWKH-WDEREUQCSA-N 1 1 311.342 -1.401 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001449131245 929549486 /nfs/dbraw/zinc/54/94/86/929549486.db2.gz HNMCYCPKUVFJDP-LLVKDONJSA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449129351 929549864 /nfs/dbraw/zinc/54/98/64/929549864.db2.gz RMTUPSKJIYSENO-JTQLQIEISA-N 1 1 309.330 -1.421 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)N1C ZINC001449142578 929550582 /nfs/dbraw/zinc/55/05/82/929550582.db2.gz YTZYBZVAJHJWOF-NWDGAFQWSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nocc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001449142722 929551540 /nfs/dbraw/zinc/55/15/40/929551540.db2.gz BZAVZTMEOXYARZ-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001449150589 929554622 /nfs/dbraw/zinc/55/46/22/929554622.db2.gz LAABZXHVHIMQGR-IONNQARKSA-N 1 1 323.361 -1.580 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001449150234 929554650 /nfs/dbraw/zinc/55/46/50/929554650.db2.gz QLJFHAURNQXMJA-PWSUYJOCSA-N 1 1 311.386 -1.257 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449158393 929555149 /nfs/dbraw/zinc/55/51/49/929555149.db2.gz VCSCSEWHSFDVFX-WDEREUQCSA-N 1 1 311.342 -1.393 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)N1C ZINC001449151740 929556888 /nfs/dbraw/zinc/55/68/88/929556888.db2.gz NNVQZOGRCOLUEQ-NEPJUHHUSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001449158525 929557831 /nfs/dbraw/zinc/55/78/31/929557831.db2.gz OEBYJGFULYJICF-YIZRAAEISA-N 1 1 311.346 -2.760 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccncn1)c1nnnn1C ZINC001449158675 929558251 /nfs/dbraw/zinc/55/82/51/929558251.db2.gz FEXWGSOQZFDZHX-UWVGGRQHSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccncn1)c1nnnn1C ZINC001449158684 929558609 /nfs/dbraw/zinc/55/86/09/929558609.db2.gz FEXWGSOQZFDZHX-ZJUUUORDSA-N 1 1 320.357 -1.216 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001449166438 929559202 /nfs/dbraw/zinc/55/92/02/929559202.db2.gz XACOCFJNGQWVDV-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1nnc[n-]1 ZINC001449159828 929559238 /nfs/dbraw/zinc/55/92/38/929559238.db2.gz LFXNGWBMEZMLIG-ZJUUUORDSA-N 1 1 310.358 -2.013 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001449161520 929559373 /nfs/dbraw/zinc/55/93/73/929559373.db2.gz RFOFJGFFOLKHSB-TUAOUCFPSA-N 1 1 324.385 -1.672 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O)C(=O)C(F)F ZINC001449173225 929560278 /nfs/dbraw/zinc/56/02/78/929560278.db2.gz CUAGGKULFWHDLP-MRVPVSSYSA-N 1 1 317.358 -1.448 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O)C(=O)C(F)F ZINC001449173225 929560287 /nfs/dbraw/zinc/56/02/87/929560287.db2.gz CUAGGKULFWHDLP-MRVPVSSYSA-N 1 1 317.358 -1.448 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001449176759 929560461 /nfs/dbraw/zinc/56/04/61/929560461.db2.gz LXVVAMSKKOLLSW-QWHCGFSZSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001449176759 929560468 /nfs/dbraw/zinc/56/04/68/929560468.db2.gz LXVVAMSKKOLLSW-QWHCGFSZSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001449191705 929562355 /nfs/dbraw/zinc/56/23/55/929562355.db2.gz BSHLAIVKIBCUAN-VXGBXAGGSA-N 1 1 317.386 -2.023 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001449182707 929563280 /nfs/dbraw/zinc/56/32/80/929563280.db2.gz NUHQUBCDYDIHGI-JTQLQIEISA-N 1 1 313.358 -1.050 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449182435 929563353 /nfs/dbraw/zinc/56/33/53/929563353.db2.gz DLTBPTVAXJHEJL-SNVBAGLBSA-N 1 1 313.362 -2.488 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449182435 929563359 /nfs/dbraw/zinc/56/33/59/929563359.db2.gz DLTBPTVAXJHEJL-SNVBAGLBSA-N 1 1 313.362 -2.488 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccc[nH]1 ZINC001449184973 929563804 /nfs/dbraw/zinc/56/38/04/929563804.db2.gz KFBKPNLJIAMEKF-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001449183139 929564657 /nfs/dbraw/zinc/56/46/57/929564657.db2.gz BUAMISBLVTXIKK-NSHDSACASA-N 1 1 324.385 -1.462 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449193603 929565276 /nfs/dbraw/zinc/56/52/76/929565276.db2.gz DFRQWVVXAWMKNL-WDEREUQCSA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449193603 929565283 /nfs/dbraw/zinc/56/52/83/929565283.db2.gz DFRQWVVXAWMKNL-WDEREUQCSA-N 1 1 314.386 -2.038 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cccnc1 ZINC001449195444 929566231 /nfs/dbraw/zinc/56/62/31/929566231.db2.gz TUYOASJGOTYTAI-NSHDSACASA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cccnc1 ZINC001449195444 929566234 /nfs/dbraw/zinc/56/62/34/929566234.db2.gz TUYOASJGOTYTAI-NSHDSACASA-N 1 1 323.353 -1.359 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001449199936 929566753 /nfs/dbraw/zinc/56/67/53/929566753.db2.gz NIDXIXXIUDPNJD-ZJUUUORDSA-N 1 1 318.399 -1.090 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198943 929567372 /nfs/dbraw/zinc/56/73/72/929567372.db2.gz XIEPMOKZGVULFW-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198943 929567383 /nfs/dbraw/zinc/56/73/83/929567383.db2.gz XIEPMOKZGVULFW-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449193597 929567405 /nfs/dbraw/zinc/56/74/05/929567405.db2.gz DFRQWVVXAWMKNL-MNOVXSKESA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449193597 929567411 /nfs/dbraw/zinc/56/74/11/929567411.db2.gz DFRQWVVXAWMKNL-MNOVXSKESA-N 1 1 314.386 -2.038 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001449202673 929568164 /nfs/dbraw/zinc/56/81/64/929568164.db2.gz VWKNQQLMPHLPOG-SECBINFHSA-N 1 1 311.342 -1.875 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001449202673 929568172 /nfs/dbraw/zinc/56/81/72/929568172.db2.gz VWKNQQLMPHLPOG-SECBINFHSA-N 1 1 311.342 -1.875 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001449209099 929568442 /nfs/dbraw/zinc/56/84/42/929568442.db2.gz FMFIRGLSTWZUBJ-BXUZGUMPSA-N 1 1 301.387 -1.354 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200910 929569020 /nfs/dbraw/zinc/56/90/20/929569020.db2.gz ZTNDOCQVCWTCFZ-UWVGGRQHSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200910 929569029 /nfs/dbraw/zinc/56/90/29/929569029.db2.gz ZTNDOCQVCWTCFZ-UWVGGRQHSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnc[nH]c1=O ZINC001449211317 929569094 /nfs/dbraw/zinc/56/90/94/929569094.db2.gz GSRJGEDYKQCJSV-ONGXEEELSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001449208026 929569139 /nfs/dbraw/zinc/56/91/39/929569139.db2.gz DGSHKMWYMDCWRV-NEPJUHHUSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001449209195 929569190 /nfs/dbraw/zinc/56/91/90/929569190.db2.gz FMFIRGLSTWZUBJ-SMDDNHRTSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449203242 929569396 /nfs/dbraw/zinc/56/93/96/929569396.db2.gz YISPNVHHAFKPQN-VHSXEESVSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449203242 929569403 /nfs/dbraw/zinc/56/94/03/929569403.db2.gz YISPNVHHAFKPQN-VHSXEESVSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCNC(=O)C1 ZINC001449206988 929569531 /nfs/dbraw/zinc/56/95/31/929569531.db2.gz CJOQCMUBNIUQCE-LBPRGKRZSA-N 1 1 316.402 -2.448 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001449208030 929569819 /nfs/dbraw/zinc/56/98/19/929569819.db2.gz DGSHKMWYMDCWRV-NWDGAFQWSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001449209122 929570143 /nfs/dbraw/zinc/57/01/43/929570143.db2.gz FMFIRGLSTWZUBJ-RISCZKNCSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc(Cl)n1C ZINC001449218296 929570503 /nfs/dbraw/zinc/57/05/03/929570503.db2.gz BJGNCPWBRDNWKU-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc(Cl)n1C ZINC001449218296 929570505 /nfs/dbraw/zinc/57/05/05/929570505.db2.gz BJGNCPWBRDNWKU-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001449220335 929571524 /nfs/dbraw/zinc/57/15/24/929571524.db2.gz WDSIHEUYGWXLGZ-JTQLQIEISA-N 1 1 315.374 -3.345 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001449220335 929571534 /nfs/dbraw/zinc/57/15/34/929571534.db2.gz WDSIHEUYGWXLGZ-JTQLQIEISA-N 1 1 315.374 -3.345 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001449220657 929571693 /nfs/dbraw/zinc/57/16/93/929571693.db2.gz XESDOBZOAXGHKY-VXGBXAGGSA-N 1 1 316.402 -2.450 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001449237350 929572333 /nfs/dbraw/zinc/57/23/33/929572333.db2.gz JLSKTXSKRLLPLZ-QWRGUYRKSA-N 1 1 309.370 -1.408 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001449232092 929572782 /nfs/dbraw/zinc/57/27/82/929572782.db2.gz NEOBJMPACKBKJO-RYUDHWBXSA-N 1 1 316.402 -1.602 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001449232092 929572794 /nfs/dbraw/zinc/57/27/94/929572794.db2.gz NEOBJMPACKBKJO-RYUDHWBXSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449220942 929573494 /nfs/dbraw/zinc/57/34/94/929573494.db2.gz XPJHAOZJFQMPOS-IUCAKERBSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449220942 929573506 /nfs/dbraw/zinc/57/35/06/929573506.db2.gz XPJHAOZJFQMPOS-IUCAKERBSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001449231980 929573839 /nfs/dbraw/zinc/57/38/39/929573839.db2.gz VBGDXHXCABUYJF-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO Cc1cnn(CCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001449236638 929574213 /nfs/dbraw/zinc/57/42/13/929574213.db2.gz SUGNDTVXJILGBX-LBPRGKRZSA-N 1 1 311.386 -1.182 20 0 DAADMO Cc1cnn(CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001449236638 929574224 /nfs/dbraw/zinc/57/42/24/929574224.db2.gz SUGNDTVXJILGBX-LBPRGKRZSA-N 1 1 311.386 -1.182 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001449243114 929574792 /nfs/dbraw/zinc/57/47/92/929574792.db2.gz MQTLLDKPLRMDOD-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248712 929575328 /nfs/dbraw/zinc/57/53/28/929575328.db2.gz GKPGPZRCXCEJBN-KOLCDFICSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248712 929575335 /nfs/dbraw/zinc/57/53/35/929575335.db2.gz GKPGPZRCXCEJBN-KOLCDFICSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248720 929576104 /nfs/dbraw/zinc/57/61/04/929576104.db2.gz GKPGPZRCXCEJBN-ONGXEEELSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248720 929576106 /nfs/dbraw/zinc/57/61/06/929576106.db2.gz GKPGPZRCXCEJBN-ONGXEEELSA-N 1 1 324.385 -1.164 20 0 DAADMO CC(C)N(CC[N@H+](C)CC(=O)N(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449269480 929578899 /nfs/dbraw/zinc/57/88/99/929578899.db2.gz WORBITSLVIYGNT-NSHDSACASA-N 1 1 313.402 -1.075 20 0 DAADMO CC(C)N(CC[N@@H+](C)CC(=O)N(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449269480 929578909 /nfs/dbraw/zinc/57/89/09/929578909.db2.gz WORBITSLVIYGNT-NSHDSACASA-N 1 1 313.402 -1.075 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H](C)n1cncn1)[C@@H]1CCNC1=O ZINC001449327872 929580220 /nfs/dbraw/zinc/58/02/20/929580220.db2.gz KUSYPDQISAUXMV-VXGBXAGGSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H](C)n1cncn1)[C@@H]1CCNC1=O ZINC001449327872 929580232 /nfs/dbraw/zinc/58/02/32/929580232.db2.gz KUSYPDQISAUXMV-VXGBXAGGSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)n1cncn1)[C@H]1CCNC1=O ZINC001449327869 929581392 /nfs/dbraw/zinc/58/13/92/929581392.db2.gz KUSYPDQISAUXMV-RYUDHWBXSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)n1cncn1)[C@H]1CCNC1=O ZINC001449327869 929581398 /nfs/dbraw/zinc/58/13/98/929581398.db2.gz KUSYPDQISAUXMV-RYUDHWBXSA-N 1 1 324.385 -1.208 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)CNC(N)=O ZINC001449586668 929589905 /nfs/dbraw/zinc/58/99/05/929589905.db2.gz WFHNAWYJGBNUCI-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001449860434 929599595 /nfs/dbraw/zinc/59/95/95/929599595.db2.gz YPYFOEFLMFOIRJ-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)Cn1ncnn1 ZINC001449870698 929599875 /nfs/dbraw/zinc/59/98/75/929599875.db2.gz ZFRFLCNGWIUBMT-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001449924658 929600980 /nfs/dbraw/zinc/60/09/80/929600980.db2.gz DKQUSAQUXKHZHM-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)Cn1cnnn1 ZINC001450101693 929606328 /nfs/dbraw/zinc/60/63/28/929606328.db2.gz RKUIAHWHSXGPJU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001450099118 929607171 /nfs/dbraw/zinc/60/71/71/929607171.db2.gz OWARSKMNXDJUJI-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)Cn3cnc(C(N)=O)n3)C2)CC1 ZINC001450171465 929611568 /nfs/dbraw/zinc/61/15/68/929611568.db2.gz KYVSHNIDWNZNGO-UHFFFAOYSA-N 1 1 321.385 -1.917 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)Cc2cnc[nH]2)C1 ZINC001450198458 929613039 /nfs/dbraw/zinc/61/30/39/929613039.db2.gz NIKCTILVMBEQSS-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001513553600 929638310 /nfs/dbraw/zinc/63/83/10/929638310.db2.gz SFNSPGAAKURVHQ-OLZOCXBDSA-N 1 1 323.397 -1.089 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC001513582997 929640934 /nfs/dbraw/zinc/64/09/34/929640934.db2.gz MPNKURTWBHWTQL-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001513700376 929642448 /nfs/dbraw/zinc/64/24/48/929642448.db2.gz YJQCOXVMWKDXHH-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001514776736 929649805 /nfs/dbraw/zinc/64/98/05/929649805.db2.gz LGHJMWFKULAFHL-TUAOUCFPSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@H]1C[N@@H+](C)CCN1C ZINC001519902931 929654880 /nfs/dbraw/zinc/65/48/80/929654880.db2.gz WESFNBCCBSCTLI-WISYIIOYSA-N 1 1 323.397 -1.465 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519902932 929654943 /nfs/dbraw/zinc/65/49/43/929654943.db2.gz WESFNBCCBSCTLI-WYUUTHIRSA-N 1 1 323.397 -1.465 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001521480489 929661612 /nfs/dbraw/zinc/66/16/12/929661612.db2.gz VMAQDBAJNPWDOL-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001521480489 929661622 /nfs/dbraw/zinc/66/16/22/929661622.db2.gz VMAQDBAJNPWDOL-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001521490512 929662209 /nfs/dbraw/zinc/66/22/09/929662209.db2.gz ZZQNMVGYMNNXFQ-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001522087565 929665827 /nfs/dbraw/zinc/66/58/27/929665827.db2.gz UFJUMHCRFYSRBI-UKRRQHHQSA-N 1 1 307.442 -1.167 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(N)=O ZINC001522253194 929667352 /nfs/dbraw/zinc/66/73/52/929667352.db2.gz VGTLCMPTQRPNQT-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522502527 929672566 /nfs/dbraw/zinc/67/25/66/929672566.db2.gz IXXHZVYWVHIQLD-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522502527 929672572 /nfs/dbraw/zinc/67/25/72/929672572.db2.gz IXXHZVYWVHIQLD-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNC(=O)Cn1cnnn1 ZINC001522508424 929673531 /nfs/dbraw/zinc/67/35/31/929673531.db2.gz CJSMXDHIIAVUGV-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001522528453 929675869 /nfs/dbraw/zinc/67/58/69/929675869.db2.gz XRAOREMMTGZCOV-WDEREUQCSA-N 1 1 301.343 -2.035 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001522528453 929675874 /nfs/dbraw/zinc/67/58/74/929675874.db2.gz XRAOREMMTGZCOV-WDEREUQCSA-N 1 1 301.343 -2.035 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522528512 929675902 /nfs/dbraw/zinc/67/59/02/929675902.db2.gz IMOFGBHVQYWWBW-SECBINFHSA-N 1 1 302.331 -2.095 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522528512 929675906 /nfs/dbraw/zinc/67/59/06/929675906.db2.gz IMOFGBHVQYWWBW-SECBINFHSA-N 1 1 302.331 -2.095 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)c1=O ZINC001522555516 929680302 /nfs/dbraw/zinc/68/03/02/929680302.db2.gz CCUGGXMHLSUXTE-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001522555247 929680645 /nfs/dbraw/zinc/68/06/45/929680645.db2.gz UWCWOXGGGMBTLM-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001522555247 929680652 /nfs/dbraw/zinc/68/06/52/929680652.db2.gz UWCWOXGGGMBTLM-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001522567682 929681896 /nfs/dbraw/zinc/68/18/96/929681896.db2.gz ACHHASHWAUFVOB-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001522570350 929682504 /nfs/dbraw/zinc/68/25/04/929682504.db2.gz OKTNONJVKZHMPA-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001522570350 929682516 /nfs/dbraw/zinc/68/25/16/929682516.db2.gz OKTNONJVKZHMPA-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)CN1CCOCC1 ZINC001522589123 929684437 /nfs/dbraw/zinc/68/44/37/929684437.db2.gz OAFQQRUSUNKNSD-UHFFFAOYSA-N 1 1 309.370 -1.244 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](C)CC(N)=O)C1 ZINC001522674985 929692426 /nfs/dbraw/zinc/69/24/26/929692426.db2.gz LSQKWQMKRAEJRN-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](C)CC(N)=O)C1 ZINC001522674985 929692436 /nfs/dbraw/zinc/69/24/36/929692436.db2.gz LSQKWQMKRAEJRN-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)Cn1c[nH+]cc1C ZINC001522690404 929693025 /nfs/dbraw/zinc/69/30/25/929693025.db2.gz MLJBPJQYFMUPBF-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)CCS(C)(=O)=O ZINC001522698657 929694921 /nfs/dbraw/zinc/69/49/21/929694921.db2.gz OOIABEKNFDPLDA-UHFFFAOYSA-N 1 1 307.416 -1.006 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)C(=O)NCC(F)F)C1 ZINC001522740508 929697649 /nfs/dbraw/zinc/69/76/49/929697649.db2.gz SRNWJCLYNGUHDM-VIFPVBQESA-N 1 1 320.340 -1.058 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001522754411 929700002 /nfs/dbraw/zinc/70/00/02/929700002.db2.gz ZJFSKBXQEMVDDU-NSHDSACASA-N 1 1 322.369 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCCNC(=O)Cn2cnnn2)C1 ZINC001522833456 929706681 /nfs/dbraw/zinc/70/66/81/929706681.db2.gz ZHYSLZLLEIQLOE-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001523705326 929728402 /nfs/dbraw/zinc/72/84/02/929728402.db2.gz JYELFRWTNQPABX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCCNC(=O)c1cnon1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001523725516 929728480 /nfs/dbraw/zinc/72/84/80/929728480.db2.gz MIWFQQWIPYYMFU-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CN(CCCNC(=O)c1cnon1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001523725516 929728484 /nfs/dbraw/zinc/72/84/84/929728484.db2.gz MIWFQQWIPYYMFU-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(=O)C3CC3)CC2)C1 ZINC001524072961 929735134 /nfs/dbraw/zinc/73/51/34/929735134.db2.gz FUZCRRMWWPMPOC-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(=O)C3CC3)CC2)C1 ZINC001524072961 929735141 /nfs/dbraw/zinc/73/51/41/929735141.db2.gz FUZCRRMWWPMPOC-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001526187175 929760099 /nfs/dbraw/zinc/76/00/99/929760099.db2.gz XOQLETWFFODWHR-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001526230540 929760538 /nfs/dbraw/zinc/76/05/38/929760538.db2.gz QUOYFYATFPFHKH-IWIIMEHWSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001526457164 929764199 /nfs/dbraw/zinc/76/41/99/929764199.db2.gz FGEZAKPZGMEDSP-NXEZZACHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001526457164 929764206 /nfs/dbraw/zinc/76/42/06/929764206.db2.gz FGEZAKPZGMEDSP-NXEZZACHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CNC(N)=O ZINC001526777230 929769185 /nfs/dbraw/zinc/76/91/85/929769185.db2.gz IBHCDGMUOSBXPR-JTQLQIEISA-N 1 1 315.374 -2.002 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001527111506 929775452 /nfs/dbraw/zinc/77/54/52/929775452.db2.gz VTYCSAIKXZTOQZ-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1C(=O)CNC1=O ZINC001527679541 929782933 /nfs/dbraw/zinc/78/29/33/929782933.db2.gz JLVOPMGSQUHGPM-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001527661636 929783080 /nfs/dbraw/zinc/78/30/80/929783080.db2.gz YYNGLMNYMUYUID-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCNC1=O ZINC001528007503 929790717 /nfs/dbraw/zinc/79/07/17/929790717.db2.gz RLDSTVMYSBSOML-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCNC1=O ZINC001528007503 929790718 /nfs/dbraw/zinc/79/07/18/929790718.db2.gz RLDSTVMYSBSOML-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528003906 929790833 /nfs/dbraw/zinc/79/08/33/929790833.db2.gz HAFONSZJUVEEEI-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528003906 929790843 /nfs/dbraw/zinc/79/08/43/929790843.db2.gz HAFONSZJUVEEEI-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)CCNC(N)=O ZINC001528117711 929795167 /nfs/dbraw/zinc/79/51/67/929795167.db2.gz SMOSEVHTHHUZKZ-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1C(=O)CCC1=O ZINC001528171586 929796854 /nfs/dbraw/zinc/79/68/54/929796854.db2.gz CFWIXYCITKAFGU-LLVKDONJSA-N 1 1 324.381 -1.338 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1C(=O)CCC1=O ZINC001528171587 929797508 /nfs/dbraw/zinc/79/75/08/929797508.db2.gz CFWIXYCITKAFGU-NSHDSACASA-N 1 1 324.381 -1.338 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001528261187 929798364 /nfs/dbraw/zinc/79/83/64/929798364.db2.gz AERHPLORFJLYBV-UHFFFAOYSA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CNC(C)=O)C1 ZINC001528222110 929798415 /nfs/dbraw/zinc/79/84/15/929798415.db2.gz AJTSIWFKZWLEGD-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CNC(C)=O)C1 ZINC001528222110 929798423 /nfs/dbraw/zinc/79/84/23/929798423.db2.gz AJTSIWFKZWLEGD-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001528371989 929803457 /nfs/dbraw/zinc/80/34/57/929803457.db2.gz JEEALQYCMZJTAW-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001528364103 929803661 /nfs/dbraw/zinc/80/36/61/929803661.db2.gz UPLZHRSFXHZDAQ-HFAKWTLXSA-N 1 1 321.381 -1.425 20 0 DAADMO CN(CCNC(=O)c1cncn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528365504 929803900 /nfs/dbraw/zinc/80/39/00/929803900.db2.gz YFSJBHQWCWKTGW-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cncn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528365504 929803915 /nfs/dbraw/zinc/80/39/15/929803915.db2.gz YFSJBHQWCWKTGW-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)CCn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528564817 929810134 /nfs/dbraw/zinc/81/01/34/929810134.db2.gz ROUZWXPHGAWRFE-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001528582706 929812095 /nfs/dbraw/zinc/81/20/95/929812095.db2.gz ARAHGILOHVKLMT-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001528651629 929813853 /nfs/dbraw/zinc/81/38/53/929813853.db2.gz MPALBMHFAKJPCT-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO CN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528681119 929816700 /nfs/dbraw/zinc/81/67/00/929816700.db2.gz VAKCMINJRKSENL-LLVKDONJSA-N 1 1 310.358 -1.817 20 0 DAADMO CN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528681119 929816706 /nfs/dbraw/zinc/81/67/06/929816706.db2.gz VAKCMINJRKSENL-LLVKDONJSA-N 1 1 310.358 -1.817 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cn1cnnn1 ZINC001528879119 929819764 /nfs/dbraw/zinc/81/97/64/929819764.db2.gz JJHVYCZZMXLBJK-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001529296744 929826901 /nfs/dbraw/zinc/82/69/01/929826901.db2.gz YFONWLAJUXHMNS-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001529296743 929827006 /nfs/dbraw/zinc/82/70/06/929827006.db2.gz YFONWLAJUXHMNS-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)Cn1ncnn1)C1CC1 ZINC001529723182 929830372 /nfs/dbraw/zinc/83/03/72/929830372.db2.gz UERRSXKWUDLVMH-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001530096233 929834696 /nfs/dbraw/zinc/83/46/96/929834696.db2.gz UNKBJTPWRZQNQZ-AWEZNQCLSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001530096233 929834705 /nfs/dbraw/zinc/83/47/05/929834705.db2.gz UNKBJTPWRZQNQZ-AWEZNQCLSA-N 1 1 312.414 -1.061 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530363258 929841248 /nfs/dbraw/zinc/84/12/48/929841248.db2.gz VOLWPGKYHRQITP-JTQLQIEISA-N 1 1 314.342 -2.000 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530363258 929841260 /nfs/dbraw/zinc/84/12/60/929841260.db2.gz VOLWPGKYHRQITP-JTQLQIEISA-N 1 1 314.342 -2.000 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)C2 ZINC001530387966 929842517 /nfs/dbraw/zinc/84/25/17/929842517.db2.gz WZQMXGPTGNRBTI-SNVBAGLBSA-N 1 1 319.365 -1.044 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530388481 929842600 /nfs/dbraw/zinc/84/26/00/929842600.db2.gz AQDRGTKMHBTJLV-BXKDBHETSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530388481 929842606 /nfs/dbraw/zinc/84/26/06/929842606.db2.gz AQDRGTKMHBTJLV-BXKDBHETSA-N 1 1 312.370 -1.831 20 0 DAADMO CNC(=O)C1(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001530449258 929847788 /nfs/dbraw/zinc/84/77/88/929847788.db2.gz WKRAQAABFGHURM-SNVBAGLBSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CCNC(N)=O)C2)CC[N@H+]1C ZINC001530433395 929848383 /nfs/dbraw/zinc/84/83/83/929848383.db2.gz VVDIERKIMCLURE-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC(=O)NC)C2)C1 ZINC001530474727 929850407 /nfs/dbraw/zinc/85/04/07/929850407.db2.gz ROHVCSXJEYOHCK-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC(=O)NC)C2)C1 ZINC001530474727 929850417 /nfs/dbraw/zinc/85/04/17/929850417.db2.gz ROHVCSXJEYOHCK-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001530493757 929851185 /nfs/dbraw/zinc/85/11/85/929851185.db2.gz HPHWKPVNCRALGX-UHFFFAOYSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001530486233 929852213 /nfs/dbraw/zinc/85/22/13/929852213.db2.gz RYOSBKFWZNTEIX-MWLCHTKSSA-N 1 1 311.386 -1.417 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3ccnc3)C2)C1 ZINC001530811652 929869744 /nfs/dbraw/zinc/86/97/44/929869744.db2.gz GTJXDXBGMMYHQL-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3ccnc3)C2)C1 ZINC001530811652 929869751 /nfs/dbraw/zinc/86/97/51/929869751.db2.gz GTJXDXBGMMYHQL-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001530898908 929873456 /nfs/dbraw/zinc/87/34/56/929873456.db2.gz AFIFJZYXEVMDLV-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001530928689 929874897 /nfs/dbraw/zinc/87/48/97/929874897.db2.gz MWLWFCDARKWOKO-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231006 929881403 /nfs/dbraw/zinc/88/14/03/929881403.db2.gz IKAMFQCWZAFUMJ-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231006 929881412 /nfs/dbraw/zinc/88/14/12/929881412.db2.gz IKAMFQCWZAFUMJ-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001531320651 929884393 /nfs/dbraw/zinc/88/43/93/929884393.db2.gz MEVWAUVWMRJHDZ-QWRGUYRKSA-N 1 1 322.369 -1.116 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161095 929892857 /nfs/dbraw/zinc/89/28/57/929892857.db2.gz FHUVCNLNPLUPEP-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161095 929892864 /nfs/dbraw/zinc/89/28/64/929892864.db2.gz FHUVCNLNPLUPEP-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CNC(=O)Cn1ncnn1 ZINC001532249017 929893964 /nfs/dbraw/zinc/89/39/64/929893964.db2.gz UTWWOJGDHPZBPQ-NEPJUHHUSA-N 1 1 323.401 -1.117 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)CN1CN=NC1=O ZINC001532931165 929901673 /nfs/dbraw/zinc/90/16/73/929901673.db2.gz SUXNZXXTHVNEBE-NSHDSACASA-N 1 1 324.385 -1.005 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147754 929907589 /nfs/dbraw/zinc/90/75/89/929907589.db2.gz IEQLTHNLECKOPQ-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147754 929907598 /nfs/dbraw/zinc/90/75/98/929907598.db2.gz IEQLTHNLECKOPQ-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001533168265 929911589 /nfs/dbraw/zinc/91/15/89/929911589.db2.gz OFKXASBQPKRVBB-LLVKDONJSA-N 1 1 324.337 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001533169333 929912492 /nfs/dbraw/zinc/91/24/92/929912492.db2.gz SRUQAANNRIEUBZ-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001533168943 929912779 /nfs/dbraw/zinc/91/27/79/929912779.db2.gz FSFWHNDYKSPYGT-KGYLQXTDSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173833 929913428 /nfs/dbraw/zinc/91/34/28/929913428.db2.gz CICJQNGFCSPSKF-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173833 929913434 /nfs/dbraw/zinc/91/34/34/929913434.db2.gz CICJQNGFCSPSKF-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001533174345 929915045 /nfs/dbraw/zinc/91/50/45/929915045.db2.gz FKKRWGQAMYVMGL-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001533191337 929917989 /nfs/dbraw/zinc/91/79/89/929917989.db2.gz JIZPIDSAOQVMPN-LLVKDONJSA-N 1 1 306.326 -1.178 20 0 DAADMO COCCCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533191283 929918521 /nfs/dbraw/zinc/91/85/21/929918521.db2.gz IHVZXHSXBCDIOC-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001533191338 929919216 /nfs/dbraw/zinc/91/92/16/929919216.db2.gz JIZPIDSAOQVMPN-NSHDSACASA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001533208444 929924342 /nfs/dbraw/zinc/92/43/42/929924342.db2.gz OSKGREPDNCLHPO-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1nccn1 ZINC001533207961 929925295 /nfs/dbraw/zinc/92/52/95/929925295.db2.gz MRQLXMZEWJLMLI-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2ccnc2)C1 ZINC001533265352 929937231 /nfs/dbraw/zinc/93/72/31/929937231.db2.gz BWHBZCKXKVEBHX-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2ccnc2)C1 ZINC001533265350 929937324 /nfs/dbraw/zinc/93/73/24/929937324.db2.gz BWHBZCKXKVEBHX-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001533268059 929937442 /nfs/dbraw/zinc/93/74/42/929937442.db2.gz RHDAOORUTKFXTI-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001533265659 929937731 /nfs/dbraw/zinc/93/77/31/929937731.db2.gz WNCXCNFRUCCDMN-SECBINFHSA-N 1 1 311.342 -1.915 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001533269533 929937868 /nfs/dbraw/zinc/93/78/68/929937868.db2.gz QLBJIPPHBFXGRX-OUAUKWLOSA-N 1 1 324.385 -1.340 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001533294151 929940270 /nfs/dbraw/zinc/94/02/70/929940270.db2.gz WEXCTPAIRYIDGA-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001533298655 929942377 /nfs/dbraw/zinc/94/23/77/929942377.db2.gz WTMOLDXTJMBULF-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cn1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001533433005 929948902 /nfs/dbraw/zinc/94/89/02/929948902.db2.gz NIODXUXONOUFRN-MVZIDQBPSA-N 1 1 322.369 -1.452 20 0 DAADMO Cn1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001533433005 929948908 /nfs/dbraw/zinc/94/89/08/929948908.db2.gz NIODXUXONOUFRN-MVZIDQBPSA-N 1 1 322.369 -1.452 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1CNC(=O)N1 ZINC001533585876 929953886 /nfs/dbraw/zinc/95/38/86/929953886.db2.gz KDXUKVIMLIHLBF-WUNPDAOYSA-N 1 1 309.370 -1.449 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001534255305 929963550 /nfs/dbraw/zinc/96/35/50/929963550.db2.gz HNWSDHCPAIIUGS-HBNTYKKESA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001534670455 929968638 /nfs/dbraw/zinc/96/86/38/929968638.db2.gz QAVPOAFEGACUMF-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001534670456 929969061 /nfs/dbraw/zinc/96/90/61/929969061.db2.gz QAVPOAFEGACUMF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001534708330 929970691 /nfs/dbraw/zinc/97/06/91/929970691.db2.gz CIDTUHAPJRGRFS-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)CN2CCOCC2)C1 ZINC001534768538 929972007 /nfs/dbraw/zinc/97/20/07/929972007.db2.gz KTWWFHDOYDGXAT-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001534745419 929972385 /nfs/dbraw/zinc/97/23/85/929972385.db2.gz MRUGVIOWKOLIGZ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001534745419 929972391 /nfs/dbraw/zinc/97/23/91/929972391.db2.gz MRUGVIOWKOLIGZ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)CN2CCOCC2)C1 ZINC001534768540 929972977 /nfs/dbraw/zinc/97/29/77/929972977.db2.gz KTWWFHDOYDGXAT-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001534855304 929978130 /nfs/dbraw/zinc/97/81/30/929978130.db2.gz CEKAZTOVMYLSEO-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001535278747 929989815 /nfs/dbraw/zinc/98/98/15/929989815.db2.gz MHPVVJXKOFBJJO-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001535277842 929990070 /nfs/dbraw/zinc/99/00/70/929990070.db2.gz CAUARXCPGSWUMN-JTQLQIEISA-N 1 1 323.397 -1.096 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001535278131 929990627 /nfs/dbraw/zinc/99/06/27/929990627.db2.gz GOHSPGOODYIIBI-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001535531199 929992715 /nfs/dbraw/zinc/99/27/15/929992715.db2.gz WCLIUMFZORFVFR-JTQLQIEISA-N 1 1 311.386 -1.227 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)CNC(N)=O)C1 ZINC001536406294 930003945 /nfs/dbraw/zinc/00/39/45/930003945.db2.gz GSGSKTFEPJPAJL-UHFFFAOYSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001537320684 930019731 /nfs/dbraw/zinc/01/97/31/930019731.db2.gz PHSLRNDLYFVSRB-HZMBPMFUSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001537320684 930019743 /nfs/dbraw/zinc/01/97/43/930019743.db2.gz PHSLRNDLYFVSRB-HZMBPMFUSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](C)CC1 ZINC001540669675 930022924 /nfs/dbraw/zinc/02/29/24/930022924.db2.gz CWWQIKWWLWBVGD-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)N1CC[NH+](C)CC1 ZINC001540669674 930023217 /nfs/dbraw/zinc/02/32/17/930023217.db2.gz CWWQIKWWLWBVGD-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001540807700 930024491 /nfs/dbraw/zinc/02/44/91/930024491.db2.gz LPZZZMSAPDPOIU-NSHDSACASA-N 1 1 301.391 -1.841 20 0 DAADMO C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001544139648 930025873 /nfs/dbraw/zinc/02/58/73/930025873.db2.gz UAWSHMVBMDLMGX-AXFHLTTASA-N 1 1 311.386 -1.275 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n(C)c1=O ZINC001548558476 930032230 /nfs/dbraw/zinc/03/22/30/930032230.db2.gz WMUCOEZJYFSFHI-LLVKDONJSA-N 1 1 321.381 -1.240 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CCOCC1 ZINC001548623049 930032941 /nfs/dbraw/zinc/03/29/41/930032941.db2.gz SXNXSERVXTUXIG-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548634733 930033368 /nfs/dbraw/zinc/03/33/68/930033368.db2.gz IOIRUGSCRQTMDJ-NEPJUHHUSA-N 1 1 318.443 -1.181 20 0 DAADMO Cn1nc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1=O ZINC001548607446 930033675 /nfs/dbraw/zinc/03/36/75/930033675.db2.gz KJHUKTIGGRPEMZ-UHFFFAOYSA-N 1 1 308.342 -1.324 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548626697 930033778 /nfs/dbraw/zinc/03/37/78/930033778.db2.gz FRXAELJSYWYJMX-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CCN(CC(N)=O)CC1 ZINC001548620783 930033924 /nfs/dbraw/zinc/03/39/24/930033924.db2.gz LMPFHZCSRKIDMX-WCQYABFASA-N 1 1 309.414 -1.559 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548634734 930033984 /nfs/dbraw/zinc/03/39/84/930033984.db2.gz IOIRUGSCRQTMDJ-NWDGAFQWSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001548639117 930034390 /nfs/dbraw/zinc/03/43/90/930034390.db2.gz VHYWGOGHJAIDNQ-GHMZBOCLSA-N 1 1 317.415 -2.278 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CCO1 ZINC001548649237 930034636 /nfs/dbraw/zinc/03/46/36/930034636.db2.gz ITVRDZYUEMXFAY-BNOWGMLFSA-N 1 1 310.398 -1.262 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548626695 930034817 /nfs/dbraw/zinc/03/48/17/930034817.db2.gz FRXAELJSYWYJMX-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CCN(CC(N)=O)CC1 ZINC001548620785 930034921 /nfs/dbraw/zinc/03/49/21/930034921.db2.gz LMPFHZCSRKIDMX-YPMHNXCESA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001548645091 930035114 /nfs/dbraw/zinc/03/51/14/930035114.db2.gz CPSBVWMYLSADTI-QWRGUYRKSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCNS(C)(=O)=O ZINC001548645533 930035338 /nfs/dbraw/zinc/03/53/38/930035338.db2.gz BILOTNRDFGRFPE-WDEREUQCSA-N 1 1 304.416 -1.618 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548626693 930035373 /nfs/dbraw/zinc/03/53/73/930035373.db2.gz FRXAELJSYWYJMX-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548625728 930035591 /nfs/dbraw/zinc/03/55/91/930035591.db2.gz PUNSICBRVKZHFG-HIFRSBDPSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)N1CCOCC1 ZINC001548634454 930035935 /nfs/dbraw/zinc/03/59/35/930035935.db2.gz ISBUPWXFPFVDEL-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@H]1CNC(=O)C1 ZINC001548656020 930036879 /nfs/dbraw/zinc/03/68/79/930036879.db2.gz FARSSZNJCOKHEF-LLVKDONJSA-N 1 1 312.370 -1.130 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@H]1CNC(=O)C1 ZINC001548656020 930036888 /nfs/dbraw/zinc/03/68/88/930036888.db2.gz FARSSZNJCOKHEF-LLVKDONJSA-N 1 1 312.370 -1.130 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001548660791 930038537 /nfs/dbraw/zinc/03/85/37/930038537.db2.gz SLKWDVMUAKQUSA-QWHCGFSZSA-N 1 1 323.441 -1.217 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(=O)Nc1ccn(C)n1 ZINC001548694531 930039267 /nfs/dbraw/zinc/03/92/67/930039267.db2.gz UFRABILANYIWLC-QWRGUYRKSA-N 1 1 306.370 -1.137 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001548715247 930040012 /nfs/dbraw/zinc/04/00/12/930040012.db2.gz AKINOTFBXBRFPV-XQHKEYJVSA-N 1 1 308.382 -1.509 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001548715244 930040256 /nfs/dbraw/zinc/04/02/56/930040256.db2.gz AKINOTFBXBRFPV-CYDGBPFRSA-N 1 1 308.382 -1.509 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548712953 930040674 /nfs/dbraw/zinc/04/06/74/930040674.db2.gz PVOSNTLCMUTIBX-QJPTWQEYSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCS(=O)(=O)N(C)C ZINC001548707451 930040977 /nfs/dbraw/zinc/04/09/77/930040977.db2.gz XMWCYDWDHPVLFM-QWRGUYRKSA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001548723711 930041089 /nfs/dbraw/zinc/04/10/89/930041089.db2.gz UVEPLPGGUFSHNA-WOPDTQHZSA-N 1 1 305.386 -1.118 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC12COCCN1CCOC2 ZINC001548733525 930043201 /nfs/dbraw/zinc/04/32/01/930043201.db2.gz JCGVLUZIXINRJT-ZIAGYGMSSA-N 1 1 324.425 -1.408 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001548811031 930044010 /nfs/dbraw/zinc/04/40/10/930044010.db2.gz RUVHSCZPZMEOHD-GXFFZTMASA-N 1 1 309.370 -1.046 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(O)(c2nccn2C)C1 ZINC001548780415 930044266 /nfs/dbraw/zinc/04/42/66/930044266.db2.gz HHNZRZQCGITECB-NWDGAFQWSA-N 1 1 305.382 -1.162 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC001548735576 930045546 /nfs/dbraw/zinc/04/55/46/930045546.db2.gz LOVFEXCFZZCAQC-UONOGXRCSA-N 1 1 323.441 -1.393 20 0 DAADMO O=C(CN[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)N1CCNC(=O)C1 ZINC001548966800 930046340 /nfs/dbraw/zinc/04/63/40/930046340.db2.gz POIPSFSDAORWHR-YNEHKIRRSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)N1CCNC(=O)C1 ZINC001548966800 930046352 /nfs/dbraw/zinc/04/63/52/930046352.db2.gz POIPSFSDAORWHR-YNEHKIRRSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC001549045067 930046554 /nfs/dbraw/zinc/04/65/54/930046554.db2.gz SQTDUKRCKWHBLX-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548812976 930047882 /nfs/dbraw/zinc/04/78/82/930047882.db2.gz MCJDXQBHTPASMS-VXGBXAGGSA-N 1 1 320.397 -1.113 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C(=O)N2CCOCC2)C1 ZINC001549139471 930050188 /nfs/dbraw/zinc/05/01/88/930050188.db2.gz LQSMQNVJXRSODJ-QWRGUYRKSA-N 1 1 312.370 -1.131 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)c(=O)n1C ZINC001549139078 930050500 /nfs/dbraw/zinc/05/05/00/930050500.db2.gz XOMQLRZRQSITLC-JHJVBQTASA-N 1 1 323.397 -1.006 20 0 DAADMO CC(=O)N[C@]1(c2nc(C)no2)CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC001549301786 930053158 /nfs/dbraw/zinc/05/31/58/930053158.db2.gz WJDLOQKDMMOMHO-BXUZGUMPSA-N 1 1 323.353 -1.070 20 0 DAADMO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@H]1CC(=O)NC(=O)N1 ZINC001549395450 930054249 /nfs/dbraw/zinc/05/42/49/930054249.db2.gz GRQOOWQSAPWPCX-ZDCRXTMVSA-N 1 1 310.354 -1.312 20 0 DAADMO Cc1c([C@@H]2C[N@H+]([C@H]3CC(=O)N(C)C3=O)C[C@@H]2C(N)=O)cnn1C ZINC001549522483 930054603 /nfs/dbraw/zinc/05/46/03/930054603.db2.gz KDDRNAXWJCKEKM-SRVKXCTJSA-N 1 1 319.365 -1.013 20 0 DAADMO C[C@H]1CN(c2nc(N)nc(N)[nH+]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549557385 930054694 /nfs/dbraw/zinc/05/46/94/930054694.db2.gz YIBCBKONLCHGQW-IUCAKERBSA-N 1 1 307.358 -1.033 20 0 DAADMO Cc1c([C@@H]2C[N@H+]([C@H]3CC(=O)N(C)C3=O)C[C@H]2C(N)=O)cnn1C ZINC001549522488 930055195 /nfs/dbraw/zinc/05/51/95/930055195.db2.gz KDDRNAXWJCKEKM-TUAOUCFPSA-N 1 1 319.365 -1.013 20 0 DAADMO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)NC(=O)N1 ZINC001549395437 930055479 /nfs/dbraw/zinc/05/54/79/930055479.db2.gz GRQOOWQSAPWPCX-DBIOUOCHSA-N 1 1 310.354 -1.312 20 0 DAADMO CCn1cc(O[C@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@H]2O)cn1 ZINC001549598914 930055747 /nfs/dbraw/zinc/05/57/47/930055747.db2.gz YAQXNFBBCUSNEZ-MNOVXSKESA-N 1 1 311.342 -1.088 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549604910 930056004 /nfs/dbraw/zinc/05/60/04/930056004.db2.gz LQUCHOCFNFXRNZ-MNOVXSKESA-N 1 1 309.374 -1.089 20 0 DAADMO CNC(=O)NC(=O)CCN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001549604910 930056014 /nfs/dbraw/zinc/05/60/14/930056014.db2.gz LQUCHOCFNFXRNZ-MNOVXSKESA-N 1 1 309.374 -1.089 20 0 DAADMO Cn1cc(O[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@@H]2O)cn1 ZINC001549715437 930059220 /nfs/dbraw/zinc/05/92/20/930059220.db2.gz MWHSHKDRQPUFHT-UONOGXRCSA-N 1 1 323.397 -1.382 20 0 DAADMO O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001549728030 930059598 /nfs/dbraw/zinc/05/95/98/930059598.db2.gz GIVMHMZOYGNNOR-SCRDCRAPSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CC[C@@H](N2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)C1=O ZINC001550093169 930060603 /nfs/dbraw/zinc/06/06/03/930060603.db2.gz YZFDKGKIVXXKBW-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)C1=O ZINC001550092501 930060938 /nfs/dbraw/zinc/06/09/38/930060938.db2.gz HCVLVCLLLUNCEV-RWMBFGLXSA-N 1 1 310.398 -1.086 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@H]3C[NH2+]CCO3)CC2)C1=O ZINC001550093171 930061604 /nfs/dbraw/zinc/06/16/04/930061604.db2.gz YZFDKGKIVXXKBW-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CN3CC(=O)N(C)C3=O)C[C@@H]1COCC2 ZINC001551406895 930064382 /nfs/dbraw/zinc/06/43/82/930064382.db2.gz LALAGDWYPBBQLV-QMTHXVAHSA-N 1 1 310.354 -1.078 20 0 DAADMO CN1C(=O)[C@@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@H]2C1=O ZINC001550413730 930064932 /nfs/dbraw/zinc/06/49/32/930064932.db2.gz ZATHHMWWKVRQRD-VXGBXAGGSA-N 1 1 308.382 -1.447 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]1COCC2 ZINC001551415302 930066088 /nfs/dbraw/zinc/06/60/88/930066088.db2.gz CQQKPZDODZCFCD-ABAIWWIYSA-N 1 1 324.381 -1.971 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551436066 930066650 /nfs/dbraw/zinc/06/66/50/930066650.db2.gz NUBFTZLOCCJMRP-IINYFYTJSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNC3=O)C[C@H]1COCC2 ZINC001551421695 930067606 /nfs/dbraw/zinc/06/76/06/930067606.db2.gz RFGXZWNWQAZPPE-IINYFYTJSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]1COCC2 ZINC001551449885 930067699 /nfs/dbraw/zinc/06/76/99/930067699.db2.gz JRXIBBXLIPQYPP-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]1COCC2 ZINC001551449885 930067706 /nfs/dbraw/zinc/06/77/06/930067706.db2.gz JRXIBBXLIPQYPP-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@@H](C)C2)nn1 ZINC001552163054 930070765 /nfs/dbraw/zinc/07/07/65/930070765.db2.gz SNYOXFRXPZJVDJ-DMDPSCGWSA-N 1 1 308.386 -1.200 20 0 DAADMO CN(CCN1CCNC(=O)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001553172438 930074768 /nfs/dbraw/zinc/07/47/68/930074768.db2.gz FAYJYRYRDPMSRG-UHFFFAOYSA-N 1 1 311.430 -1.630 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC001552987865 930075165 /nfs/dbraw/zinc/07/51/65/930075165.db2.gz OSBWQLJXFPTKHF-NEPJUHHUSA-N 1 1 319.427 -1.904 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC001552987865 930075173 /nfs/dbraw/zinc/07/51/73/930075173.db2.gz OSBWQLJXFPTKHF-NEPJUHHUSA-N 1 1 319.427 -1.904 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]2C1=O ZINC001560076330 930091821 /nfs/dbraw/zinc/09/18/21/930091821.db2.gz BFLGDRAMLXZCFT-OZVIIMIRSA-N 1 1 317.345 -1.094 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560168951 930091985 /nfs/dbraw/zinc/09/19/85/930091985.db2.gz DQIVBTLSIGSXEJ-VIFPVBQESA-N 1 1 317.371 -2.238 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560168951 930091996 /nfs/dbraw/zinc/09/19/96/930091996.db2.gz DQIVBTLSIGSXEJ-VIFPVBQESA-N 1 1 317.371 -2.238 20 0 DAADMO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001560444065 930092024 /nfs/dbraw/zinc/09/20/24/930092024.db2.gz BEPLXIJNCDKPPN-NWDGAFQWSA-N 1 1 313.358 -1.327 20 0 DAADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCOCCS(N)(=O)=O)C1 ZINC001564891862 930096715 /nfs/dbraw/zinc/09/67/15/930096715.db2.gz DJXCFYOPNONGFZ-QWRGUYRKSA-N 1 1 320.415 -1.363 20 0 DAADMO CON(C)C(=O)CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001564949593 930098858 /nfs/dbraw/zinc/09/88/58/930098858.db2.gz NFKXZPVBZAXCGQ-NSHDSACASA-N 1 1 301.391 -1.059 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCCCS(N)(=O)=O)C1 ZINC001564994190 930099142 /nfs/dbraw/zinc/09/91/42/930099142.db2.gz GOVXZPNFBDBWLN-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754782 948751001 /nfs/dbraw/zinc/75/10/01/948751001.db2.gz KQVZERSGDSKAPU-ZETCQYMHSA-N 1 1 306.330 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754782 948751011 /nfs/dbraw/zinc/75/10/11/948751011.db2.gz KQVZERSGDSKAPU-ZETCQYMHSA-N 1 1 306.330 -1.270 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](Cc2csc(-c3nn[nH]n3)c2)C[C@H]1C(N)=O ZINC001570931011 948832184 /nfs/dbraw/zinc/83/21/84/948832184.db2.gz JMWXVZWAXSLBJU-OCAPTIKFSA-N 1 1 321.366 -1.053 20 0 DAADMO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001592513638 978347783 /nfs/dbraw/zinc/34/77/83/978347783.db2.gz HXLFUNUSSTWMRN-WDEREUQCSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001592513638 978347791 /nfs/dbraw/zinc/34/77/91/978347791.db2.gz HXLFUNUSSTWMRN-WDEREUQCSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[N@@H+]1CCC(=O)[O-] ZINC001594495504 985632712 /nfs/dbraw/zinc/63/27/12/985632712.db2.gz BCKBQEWZEFVRAM-SNVBAGLBSA-N 1 1 310.358 -1.142 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1CCC(=O)[O-] ZINC001594495504 985632716 /nfs/dbraw/zinc/63/27/16/985632716.db2.gz BCKBQEWZEFVRAM-SNVBAGLBSA-N 1 1 310.358 -1.142 20 0 DAADMO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001594514057 985820737 /nfs/dbraw/zinc/82/07/37/985820737.db2.gz TUBTWLWXWGTVNL-ZJUUUORDSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001594514057 985820744 /nfs/dbraw/zinc/82/07/44/985820744.db2.gz TUBTWLWXWGTVNL-ZJUUUORDSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001594514056 985822211 /nfs/dbraw/zinc/82/22/11/985822211.db2.gz TUBTWLWXWGTVNL-VHSXEESVSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001594514056 985822229 /nfs/dbraw/zinc/82/22/29/985822229.db2.gz TUBTWLWXWGTVNL-VHSXEESVSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584714 986467528 /nfs/dbraw/zinc/46/75/28/986467528.db2.gz LHUSLCXOFCUUCL-JHJVBQTASA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584714 986467531 /nfs/dbraw/zinc/46/75/31/986467531.db2.gz LHUSLCXOFCUUCL-JHJVBQTASA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584714 986467536 /nfs/dbraw/zinc/46/75/36/986467536.db2.gz LHUSLCXOFCUUCL-JHJVBQTASA-N 1 1 310.398 -1.151 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001191658495 781918868 /nfs/dbraw/zinc/91/88/68/781918868.db2.gz HIEFNGPSULFLFO-JHJVBQTASA-N 1 1 300.355 -1.151 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)NC1=O ZINC001191719692 781919212 /nfs/dbraw/zinc/91/92/12/781919212.db2.gz NWYACIDGYSJSFF-RYUDHWBXSA-N 1 1 314.386 -1.448 20 0 DAADMO Cn1c(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)c[nH]c1=O ZINC001191707812 781919647 /nfs/dbraw/zinc/91/96/47/781919647.db2.gz OWJMYLWDAZEXTJ-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO Cn1c(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c[nH]c1=O ZINC001191707812 781919655 /nfs/dbraw/zinc/91/96/55/781919655.db2.gz OWJMYLWDAZEXTJ-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770126 781920305 /nfs/dbraw/zinc/92/03/05/781920305.db2.gz FFIZMTUZESDNLZ-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770126 781920311 /nfs/dbraw/zinc/92/03/11/781920311.db2.gz FFIZMTUZESDNLZ-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191772972 781920346 /nfs/dbraw/zinc/92/03/46/781920346.db2.gz SDVQSGXRPJSYCP-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191772972 781920352 /nfs/dbraw/zinc/92/03/52/781920352.db2.gz SDVQSGXRPJSYCP-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191773372 781920726 /nfs/dbraw/zinc/92/07/26/781920726.db2.gz VBWQZFJMVUBKRG-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191773372 781920736 /nfs/dbraw/zinc/92/07/36/781920736.db2.gz VBWQZFJMVUBKRG-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698538 781920873 /nfs/dbraw/zinc/92/08/73/781920873.db2.gz ZZBNMQMQOGEYTP-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C1CC1 ZINC001191770113 781921131 /nfs/dbraw/zinc/92/11/31/781921131.db2.gz FAJVNTYNLWCSDE-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720581 781921069 /nfs/dbraw/zinc/92/10/69/781921069.db2.gz UOOWBNHYXYCNPF-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720581 781921074 /nfs/dbraw/zinc/92/10/74/781921074.db2.gz UOOWBNHYXYCNPF-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C1CC1 ZINC001191770113 781921125 /nfs/dbraw/zinc/92/11/25/781921125.db2.gz FAJVNTYNLWCSDE-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191765708 781921191 /nfs/dbraw/zinc/92/11/91/781921191.db2.gz ZJYHRVYJAOFSKW-IJLUTSLNSA-N 1 1 314.386 -1.545 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191765708 781921198 /nfs/dbraw/zinc/92/11/98/781921198.db2.gz ZJYHRVYJAOFSKW-IJLUTSLNSA-N 1 1 314.386 -1.545 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697456 781921791 /nfs/dbraw/zinc/92/17/91/781921791.db2.gz VDRJKVCCCACEQK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC3CC3)C2)n1 ZINC001191773316 781921773 /nfs/dbraw/zinc/92/17/73/781921773.db2.gz UVDFSXQQLKRJED-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC3CC3)C2)n1 ZINC001191773316 781921778 /nfs/dbraw/zinc/92/17/78/781921778.db2.gz UVDFSXQQLKRJED-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC3CC3)C2)n1 ZINC001191773314 781921926 /nfs/dbraw/zinc/92/19/26/781921926.db2.gz UVDFSXQQLKRJED-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC3CC3)C2)n1 ZINC001191773314 781921934 /nfs/dbraw/zinc/92/19/34/781921934.db2.gz UVDFSXQQLKRJED-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770125 781922072 /nfs/dbraw/zinc/92/20/72/781922072.db2.gz FFIZMTUZESDNLZ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770125 781922079 /nfs/dbraw/zinc/92/20/79/781922079.db2.gz FFIZMTUZESDNLZ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676303610 545641817 /nfs/dbraw/zinc/64/18/17/545641817.db2.gz FVCGBIKUGKFERJ-AXFHLTTASA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303610 545641820 /nfs/dbraw/zinc/64/18/20/545641820.db2.gz FVCGBIKUGKFERJ-AXFHLTTASA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(C(=O)CO)CC2)C[C@H](C)O1 ZINC000348320084 545643133 /nfs/dbraw/zinc/64/31/33/545643133.db2.gz QKUDYBSWFXHBQN-HZSPNIEDSA-N 1 1 315.414 -1.407 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000348205639 545643488 /nfs/dbraw/zinc/64/34/88/545643488.db2.gz XYRBODIKPKRBOT-BYNQJWBRSA-N 1 1 301.387 -1.621 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241824 545644022 /nfs/dbraw/zinc/64/40/22/545644022.db2.gz RWPDCNZNJJRCQT-GARJFASQSA-N 1 1 322.431 -1.346 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241824 545644030 /nfs/dbraw/zinc/64/40/30/545644030.db2.gz RWPDCNZNJJRCQT-GARJFASQSA-N 1 1 322.431 -1.346 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746425 781923176 /nfs/dbraw/zinc/92/31/76/781923176.db2.gz UVZJNQFJXGDJLS-DTWKUNHWSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746425 781923185 /nfs/dbraw/zinc/92/31/85/781923185.db2.gz UVZJNQFJXGDJLS-DTWKUNHWSA-N 1 1 313.358 -1.775 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650303816 545649609 /nfs/dbraw/zinc/64/96/09/545649609.db2.gz QYUHSARUVJLEDY-UHFFFAOYSA-N 1 1 305.400 -1.347 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001191801767 781924542 /nfs/dbraw/zinc/92/45/42/781924542.db2.gz FUQXJJODAMMIAU-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001191801767 781924549 /nfs/dbraw/zinc/92/45/49/781924549.db2.gz FUQXJJODAMMIAU-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001191785888 781924604 /nfs/dbraw/zinc/92/46/04/781924604.db2.gz VHTGFOYBKGVGOF-MGPQQGTHSA-N 1 1 324.425 -1.232 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668559088 545654537 /nfs/dbraw/zinc/65/45/37/545654537.db2.gz YTBLXPIKELFTQL-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000668529698 545655415 /nfs/dbraw/zinc/65/54/15/545655415.db2.gz QLAIBEDFTCLWLW-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000668558261 545655698 /nfs/dbraw/zinc/65/56/98/545655698.db2.gz FULLFNIQCDCBKG-MGPQQGTHSA-N 1 1 314.382 -1.420 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191789455 781925852 /nfs/dbraw/zinc/92/58/52/781925852.db2.gz FJQRDYRPCDFHSK-JGVFFNPUSA-N 1 1 324.345 -2.060 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)cn1 ZINC001191854825 781926820 /nfs/dbraw/zinc/92/68/20/781926820.db2.gz SVMMOHSLJUKTJG-JHJVBQTASA-N 1 1 312.370 -1.315 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191863506 781926926 /nfs/dbraw/zinc/92/69/26/781926926.db2.gz FMVQXGDASGDTCM-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191863506 781926916 /nfs/dbraw/zinc/92/69/16/781926916.db2.gz FMVQXGDASGDTCM-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000648330046 545663125 /nfs/dbraw/zinc/66/31/25/545663125.db2.gz LGRCUAVTANUEFC-AXFHLTTASA-N 1 1 305.400 -1.144 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000648330046 545663131 /nfs/dbraw/zinc/66/31/31/545663131.db2.gz LGRCUAVTANUEFC-AXFHLTTASA-N 1 1 305.400 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001191865178 781927071 /nfs/dbraw/zinc/92/70/71/781927071.db2.gz SDPOYXVGSCTBSY-YNEHKIRRSA-N 1 1 313.354 -1.306 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000407979396 545663485 /nfs/dbraw/zinc/66/34/85/545663485.db2.gz YRXYTEYIGISIQH-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000648330047 545664084 /nfs/dbraw/zinc/66/40/84/545664084.db2.gz LGRCUAVTANUEFC-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000648330047 545664087 /nfs/dbraw/zinc/66/40/87/545664087.db2.gz LGRCUAVTANUEFC-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO COC(=O)Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001191859165 781927322 /nfs/dbraw/zinc/92/73/22/781927322.db2.gz YAPHSWNSJLTAPO-RDBSUJKOSA-N 1 1 319.365 -1.465 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COC[C@@H]2O)CC1 ZINC000636762871 545681221 /nfs/dbraw/zinc/68/12/21/545681221.db2.gz ZQHHQFMQIXZQFE-NEPJUHHUSA-N 1 1 314.386 -1.402 20 0 DAADMO COC(=O)Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001191859163 781928396 /nfs/dbraw/zinc/92/83/96/781928396.db2.gz YAPHSWNSJLTAPO-MELADBBJSA-N 1 1 319.365 -1.465 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC000667993707 545690306 /nfs/dbraw/zinc/69/03/06/545690306.db2.gz IJQONLLIUUINGK-LBPRGKRZSA-N 1 1 300.359 -1.456 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC000342646817 545693329 /nfs/dbraw/zinc/69/33/29/545693329.db2.gz MACSZKCBHFGMST-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191873312 781929446 /nfs/dbraw/zinc/92/94/46/781929446.db2.gz UDPPHTFMTOETST-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191873312 781929455 /nfs/dbraw/zinc/92/94/55/781929455.db2.gz UDPPHTFMTOETST-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191898003 781929536 /nfs/dbraw/zinc/92/95/36/781929536.db2.gz LCFPZVODXMVHAB-HBNTYKKESA-N 1 1 302.371 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191898003 781929544 /nfs/dbraw/zinc/92/95/44/781929544.db2.gz LCFPZVODXMVHAB-HBNTYKKESA-N 1 1 302.371 -1.230 20 0 DAADMO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714518 191222051 /nfs/dbraw/zinc/22/20/51/191222051.db2.gz MNAMLIFTKKABGZ-IUCAKERBSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714518 191222055 /nfs/dbraw/zinc/22/20/55/191222055.db2.gz MNAMLIFTKKABGZ-IUCAKERBSA-N 1 1 312.370 -1.060 20 0 DAADMO CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@@H+]1C[C@@H](C)O ZINC000331250752 545703274 /nfs/dbraw/zinc/70/32/74/545703274.db2.gz SKSVKKNJWRSWLT-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@H+]1C[C@@H](C)O ZINC000331250752 545703277 /nfs/dbraw/zinc/70/32/77/545703277.db2.gz SKSVKKNJWRSWLT-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191952778 781930683 /nfs/dbraw/zinc/93/06/83/781930683.db2.gz ZDQPILZPQRRPJO-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191952778 781930692 /nfs/dbraw/zinc/93/06/92/781930692.db2.gz ZDQPILZPQRRPJO-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001191946838 781931555 /nfs/dbraw/zinc/93/15/55/781931555.db2.gz FPXCSJOOAPMGBH-TVQRCGJNSA-N 1 1 316.333 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001191946838 781931562 /nfs/dbraw/zinc/93/15/62/781931562.db2.gz FPXCSJOOAPMGBH-TVQRCGJNSA-N 1 1 316.333 -1.157 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001191921334 781931686 /nfs/dbraw/zinc/93/16/86/781931686.db2.gz AKUQSBYFAFSMGX-JTQLQIEISA-N 1 1 309.326 -1.055 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001191921334 781931693 /nfs/dbraw/zinc/93/16/93/781931693.db2.gz AKUQSBYFAFSMGX-JTQLQIEISA-N 1 1 309.326 -1.055 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001191994642 781933381 /nfs/dbraw/zinc/93/33/81/781933381.db2.gz ALJPIGCLAKZDMJ-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001191915873 781932891 /nfs/dbraw/zinc/93/28/91/781932891.db2.gz FSQYANFMZYNRMZ-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001191994642 781933369 /nfs/dbraw/zinc/93/33/69/781933369.db2.gz ALJPIGCLAKZDMJ-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000344536611 545713799 /nfs/dbraw/zinc/71/37/99/545713799.db2.gz JNKNEXVGTVLQQI-GFCCVEGCSA-N 1 1 315.370 -1.155 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000344536611 545713806 /nfs/dbraw/zinc/71/38/06/545713806.db2.gz JNKNEXVGTVLQQI-GFCCVEGCSA-N 1 1 315.370 -1.155 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000347102701 545714565 /nfs/dbraw/zinc/71/45/65/545714565.db2.gz MYJCJNXXYDJAGM-NXEZZACHSA-N 1 1 301.343 -1.418 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001191994644 781933589 /nfs/dbraw/zinc/93/35/89/781933589.db2.gz ALJPIGCLAKZDMJ-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001191994644 781933606 /nfs/dbraw/zinc/93/36/06/781933606.db2.gz ALJPIGCLAKZDMJ-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCNS(=O)(=O)CC ZINC000347054100 545715483 /nfs/dbraw/zinc/71/54/83/545715483.db2.gz MLILXWGQLIEDBH-UHFFFAOYSA-N 1 1 310.420 -1.461 20 0 DAADMO COCCCNC(=O)CN(C)CCC(=O)N1CC[NH2+]CC1 ZINC000351478317 545719962 /nfs/dbraw/zinc/71/99/62/545719962.db2.gz XVGVSFCPFSGYKZ-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCOC2)CC1 ZINC000670967543 545721719 /nfs/dbraw/zinc/72/17/19/545721719.db2.gz VHZRHKLXQMSACT-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001191987818 781934695 /nfs/dbraw/zinc/93/46/95/781934695.db2.gz KTEAEBLREODVJF-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2=O)cn1 ZINC000081419237 192261328 /nfs/dbraw/zinc/26/13/28/192261328.db2.gz SFGBKTWHYBXNCD-NEPJUHHUSA-N 1 1 307.354 -1.028 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2=O)cn1 ZINC000081419237 192261331 /nfs/dbraw/zinc/26/13/31/192261331.db2.gz SFGBKTWHYBXNCD-NEPJUHHUSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191996601 781936438 /nfs/dbraw/zinc/93/64/38/781936438.db2.gz BYADAQYXJOPFJT-LLVKDONJSA-N 1 1 310.354 -1.075 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192003192 781936343 /nfs/dbraw/zinc/93/63/43/781936343.db2.gz PCLGTEKVBGHTHA-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192003192 781936350 /nfs/dbraw/zinc/93/63/50/781936350.db2.gz PCLGTEKVBGHTHA-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000357909099 545737381 /nfs/dbraw/zinc/73/73/81/545737381.db2.gz GGRNYBPXKDZBCS-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO CNS(=O)(=O)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)co1 ZINC000358055450 545740471 /nfs/dbraw/zinc/74/04/71/545740471.db2.gz MFDWTQIRLDCHCV-GFCCVEGCSA-N 1 1 317.367 -1.016 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362661480 545744548 /nfs/dbraw/zinc/74/45/48/545744548.db2.gz FGXPXUBGRFFYSH-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827952 545746290 /nfs/dbraw/zinc/74/62/90/545746290.db2.gz BOHFRHOAGQLYFI-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827952 545746296 /nfs/dbraw/zinc/74/62/96/545746296.db2.gz BOHFRHOAGQLYFI-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827952 545746299 /nfs/dbraw/zinc/74/62/99/545746299.db2.gz BOHFRHOAGQLYFI-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362832439 545746551 /nfs/dbraw/zinc/74/65/51/545746551.db2.gz ZBSSBFHDNQPVSV-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CC(=O)OC)CC(=O)OC)C1 ZINC000363167016 545747664 /nfs/dbraw/zinc/74/76/64/545747664.db2.gz BTCVYPVPKOVHHB-SNVBAGLBSA-N 1 1 302.327 -1.118 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CC(=O)OC)CC(=O)OC)C1 ZINC000363167016 545747673 /nfs/dbraw/zinc/74/76/73/545747673.db2.gz BTCVYPVPKOVHHB-SNVBAGLBSA-N 1 1 302.327 -1.118 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001191979274 781937687 /nfs/dbraw/zinc/93/76/87/781937687.db2.gz RQDRVXAYHXUKGK-VXGBXAGGSA-N 1 1 319.321 -1.241 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001191979274 781937696 /nfs/dbraw/zinc/93/76/96/781937696.db2.gz RQDRVXAYHXUKGK-VXGBXAGGSA-N 1 1 319.321 -1.241 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001192013003 781939488 /nfs/dbraw/zinc/93/94/88/781939488.db2.gz JCJYZJLPEDLCFL-MCIONIFRSA-N 1 1 315.414 -1.097 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039370 781940244 /nfs/dbraw/zinc/94/02/44/781940244.db2.gz YEEDTOFFJQNLTN-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039370 781940260 /nfs/dbraw/zinc/94/02/60/781940260.db2.gz YEEDTOFFJQNLTN-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038767 781940964 /nfs/dbraw/zinc/94/09/64/781940964.db2.gz RZNSAPRTYPSZEK-JGVFFNPUSA-N 1 1 312.330 -2.605 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038767 781940974 /nfs/dbraw/zinc/94/09/74/781940974.db2.gz RZNSAPRTYPSZEK-JGVFFNPUSA-N 1 1 312.330 -2.605 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039548 781941667 /nfs/dbraw/zinc/94/16/67/781941667.db2.gz ZHLXTSKGZYMWII-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039548 781941673 /nfs/dbraw/zinc/94/16/73/781941673.db2.gz ZHLXTSKGZYMWII-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038456 781941799 /nfs/dbraw/zinc/94/17/99/781941799.db2.gz QNDFPAYDYSJEEL-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038456 781941805 /nfs/dbraw/zinc/94/18/05/781941805.db2.gz QNDFPAYDYSJEEL-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073464 781941822 /nfs/dbraw/zinc/94/18/22/781941822.db2.gz UPRXYFHJQVTPPG-QWRGUYRKSA-N 1 1 312.370 -2.012 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038448 781941950 /nfs/dbraw/zinc/94/19/50/781941950.db2.gz QHQYOCHAWGBXSC-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038448 781941962 /nfs/dbraw/zinc/94/19/62/781941962.db2.gz QHQYOCHAWGBXSC-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCOC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081900 781942816 /nfs/dbraw/zinc/94/28/16/781942816.db2.gz AJXUQLRZJQDOCA-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCOC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081900 781942820 /nfs/dbraw/zinc/94/28/20/781942820.db2.gz AJXUQLRZJQDOCA-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093513 781943128 /nfs/dbraw/zinc/94/31/28/781943128.db2.gz LFZAAFWEUPWPGW-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093513 781943135 /nfs/dbraw/zinc/94/31/35/781943135.db2.gz LFZAAFWEUPWPGW-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082474 781944001 /nfs/dbraw/zinc/94/40/01/781944001.db2.gz HRLNHHKFDDFILE-ZJUUUORDSA-N 1 1 320.415 -1.538 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192059609 781943313 /nfs/dbraw/zinc/94/33/13/781943313.db2.gz ICYZTFYGDKBMJF-QMMMGPOBSA-N 1 1 311.342 -2.021 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192059609 781943321 /nfs/dbraw/zinc/94/33/21/781943321.db2.gz ICYZTFYGDKBMJF-QMMMGPOBSA-N 1 1 311.342 -2.021 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093512 781943648 /nfs/dbraw/zinc/94/36/48/781943648.db2.gz LFZAAFWEUPWPGW-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093512 781943653 /nfs/dbraw/zinc/94/36/53/781943653.db2.gz LFZAAFWEUPWPGW-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102109 781945076 /nfs/dbraw/zinc/94/50/76/781945076.db2.gz MPLXOKRHNAVQJK-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102109 781945089 /nfs/dbraw/zinc/94/50/89/781945089.db2.gz MPLXOKRHNAVQJK-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101919 781946347 /nfs/dbraw/zinc/94/63/47/781946347.db2.gz KQZAAOHULQFEOI-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101919 781946355 /nfs/dbraw/zinc/94/63/55/781946355.db2.gz KQZAAOHULQFEOI-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001192102931 781945766 /nfs/dbraw/zinc/94/57/66/781945766.db2.gz WMSQZSCVPADJDH-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001192102931 781945771 /nfs/dbraw/zinc/94/57/71/781945771.db2.gz WMSQZSCVPADJDH-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102111 781946682 /nfs/dbraw/zinc/94/66/82/781946682.db2.gz MPLXOKRHNAVQJK-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102111 781946693 /nfs/dbraw/zinc/94/66/93/781946693.db2.gz MPLXOKRHNAVQJK-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192103572 781947013 /nfs/dbraw/zinc/94/70/13/781947013.db2.gz PFRYGMUZTWPFTC-HBNTYKKESA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103572 781947025 /nfs/dbraw/zinc/94/70/25/781947025.db2.gz PFRYGMUZTWPFTC-HBNTYKKESA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103572 781947034 /nfs/dbraw/zinc/94/70/34/781947034.db2.gz PFRYGMUZTWPFTC-HBNTYKKESA-N 1 1 313.358 -2.094 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]c1=O ZINC001192153330 781948407 /nfs/dbraw/zinc/94/84/07/781948407.db2.gz OVGBYQSJUYABGI-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]c1=O ZINC001192153330 781948415 /nfs/dbraw/zinc/94/84/15/781948415.db2.gz OVGBYQSJUYABGI-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001192171287 781949047 /nfs/dbraw/zinc/94/90/47/781949047.db2.gz COADBCUIIVMYRH-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001192171287 781949052 /nfs/dbraw/zinc/94/90/52/781949052.db2.gz COADBCUIIVMYRH-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192136814 781949116 /nfs/dbraw/zinc/94/91/16/781949116.db2.gz LYIWJAOHCKLSON-VIXUHMKYSA-N 1 1 310.354 -1.334 20 0 DAADMO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192136814 781949128 /nfs/dbraw/zinc/94/91/28/781949128.db2.gz LYIWJAOHCKLSON-VIXUHMKYSA-N 1 1 310.354 -1.334 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001192231063 781950893 /nfs/dbraw/zinc/95/08/93/781950893.db2.gz YZXVYCGKJAOAIH-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738842 545754041 /nfs/dbraw/zinc/75/40/41/545754041.db2.gz SZYFHAKDRVKQPQ-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738842 545754045 /nfs/dbraw/zinc/75/40/45/545754045.db2.gz SZYFHAKDRVKQPQ-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001192231063 781950884 /nfs/dbraw/zinc/95/08/84/781950884.db2.gz YZXVYCGKJAOAIH-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192263064 781952352 /nfs/dbraw/zinc/95/23/52/781952352.db2.gz DROMOLXXTAQANE-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192263743 781952621 /nfs/dbraw/zinc/95/26/21/781952621.db2.gz ZQEUJGOSCMEARV-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320139 781954531 /nfs/dbraw/zinc/95/45/31/781954531.db2.gz AXNKGRRJFGZIQA-OPRDCNLKSA-N 1 1 315.330 -2.848 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001192328231 781955503 /nfs/dbraw/zinc/95/55/03/781955503.db2.gz CHORPBNYAPTOOU-MVWJERBFSA-N 1 1 311.386 -1.062 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001192364303 781957492 /nfs/dbraw/zinc/95/74/92/781957492.db2.gz QCNHYONMXQULOS-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 ZINC001192375086 781957543 /nfs/dbraw/zinc/95/75/43/781957543.db2.gz QYMTXUGMGWXQLZ-CKYFFXLPSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 ZINC001192375086 781957552 /nfs/dbraw/zinc/95/75/52/781957552.db2.gz QYMTXUGMGWXQLZ-CKYFFXLPSA-N 1 1 311.338 -1.431 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671163574 545758216 /nfs/dbraw/zinc/75/82/16/545758216.db2.gz OGHCLDAYHRTDEJ-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671163574 545758221 /nfs/dbraw/zinc/75/82/21/545758221.db2.gz OGHCLDAYHRTDEJ-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418926951 545766069 /nfs/dbraw/zinc/76/60/69/545766069.db2.gz SDNPRSJANZCFBE-VXGBXAGGSA-N 1 1 300.403 -1.077 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419702780 545767278 /nfs/dbraw/zinc/76/72/78/545767278.db2.gz BYPJGTOSSOUXJG-FRRDWIJNSA-N 1 1 312.414 -1.063 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)CN ZINC000419538982 545767789 /nfs/dbraw/zinc/76/77/89/545767789.db2.gz PCPGCWMQFYQGPV-SNVBAGLBSA-N 1 1 322.356 -1.076 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001192391413 781959933 /nfs/dbraw/zinc/95/99/33/781959933.db2.gz JQNUZRPLPDJIRR-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001192391413 781959939 /nfs/dbraw/zinc/95/99/39/781959939.db2.gz JQNUZRPLPDJIRR-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000669657632 545769700 /nfs/dbraw/zinc/76/97/00/545769700.db2.gz PUIIRBNZLIIAMS-GUBZILKMSA-N 1 1 308.404 -1.318 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000669657632 545769706 /nfs/dbraw/zinc/76/97/06/545769706.db2.gz PUIIRBNZLIIAMS-GUBZILKMSA-N 1 1 308.404 -1.318 20 0 DAADMO O=C([C@@H]1CCCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035124 545775664 /nfs/dbraw/zinc/77/56/64/545775664.db2.gz CBLDJDVESOGOQZ-LLVKDONJSA-N 1 1 317.411 -1.141 20 0 DAADMO CCOCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424041450 545775679 /nfs/dbraw/zinc/77/56/79/545775679.db2.gz NSZYTNSZOOLFLX-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)OCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424047712 545775962 /nfs/dbraw/zinc/77/59/62/545775962.db2.gz XSFUGFBSOSUPOM-UHFFFAOYSA-N 1 1 305.400 -1.143 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000443328754 545779696 /nfs/dbraw/zinc/77/96/96/545779696.db2.gz GVHHQMVWEJUZLP-GARJFASQSA-N 1 1 305.375 -1.089 20 0 DAADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341676 372765346 /nfs/dbraw/zinc/76/53/46/372765346.db2.gz QNZKGHDBOOWUQR-QWRGUYRKSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341676 372765354 /nfs/dbraw/zinc/76/53/54/372765354.db2.gz QNZKGHDBOOWUQR-QWRGUYRKSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616340725 372761318 /nfs/dbraw/zinc/76/13/18/372761318.db2.gz HKGFYGHOKLKTBW-NRFQWKTPSA-N 1 1 314.382 -1.687 20 0 DAADMO Cn1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c(=O)n(C)c1=O ZINC000212552676 372789253 /nfs/dbraw/zinc/78/92/53/372789253.db2.gz LZFWIIHVYOTWTD-UHFFFAOYSA-N 1 1 316.383 -1.544 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[C@H]1C[NH2+]C[C@@H]1O ZINC000643591790 372769052 /nfs/dbraw/zinc/76/90/52/372769052.db2.gz LCENIHVJSPAEOZ-XEZPLFJOSA-N 1 1 324.425 -1.278 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@H]2CN(Cc3ccncc3)CCO2)n1 ZINC000624706647 372771909 /nfs/dbraw/zinc/77/19/09/372771909.db2.gz OGQXAOYSSWKXMX-NSHDSACASA-N 1 1 316.369 -1.173 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000533517207 372780935 /nfs/dbraw/zinc/78/09/35/372780935.db2.gz DSHHBAJFLHUJGC-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000533517207 372780943 /nfs/dbraw/zinc/78/09/43/372780943.db2.gz DSHHBAJFLHUJGC-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000608779709 372781660 /nfs/dbraw/zinc/78/16/60/372781660.db2.gz YLQPLFGAKWMRTB-VIFPVBQESA-N 1 1 306.388 -1.154 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000533518407 372783004 /nfs/dbraw/zinc/78/30/04/372783004.db2.gz GZUSEDYEAUOFIE-JTQLQIEISA-N 1 1 318.399 -1.058 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642724551 372786865 /nfs/dbraw/zinc/78/68/65/372786865.db2.gz VNSVBMYJBAVBDA-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@]1(C)CO ZINC000558217080 372822143 /nfs/dbraw/zinc/82/21/43/372822143.db2.gz LRVNEJSDCMOLKR-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO CS(=O)(=O)N1CCCC[C@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624216347 372797885 /nfs/dbraw/zinc/79/78/85/372797885.db2.gz CIDZKAVZGASUCK-ZETCQYMHSA-N 1 1 301.376 -1.655 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616550473 372803872 /nfs/dbraw/zinc/80/38/72/372803872.db2.gz UGHMRUZJYYTQFX-GHMZBOCLSA-N 1 1 306.370 -1.512 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616550473 372803877 /nfs/dbraw/zinc/80/38/77/372803877.db2.gz UGHMRUZJYYTQFX-GHMZBOCLSA-N 1 1 306.370 -1.512 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703132 372805716 /nfs/dbraw/zinc/80/57/16/372805716.db2.gz PYYANONESVDPPF-AXFHLTTASA-N 1 1 306.370 -1.512 20 0 DAADMO CCC[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)S(N)(=O)=O ZINC000616703171 372806054 /nfs/dbraw/zinc/80/60/54/372806054.db2.gz QTCFAFMTUZSQMQ-HBNTYKKESA-N 1 1 305.400 -1.279 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H](C)C1 ZINC000556745049 372806662 /nfs/dbraw/zinc/80/66/62/372806662.db2.gz XARYNKHGELPEGB-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000557241989 372812315 /nfs/dbraw/zinc/81/23/15/372812315.db2.gz TVYGPABVITXYCT-HZSPNIEDSA-N 1 1 313.446 -1.014 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000624401670 372818704 /nfs/dbraw/zinc/81/87/04/372818704.db2.gz JIBVMEISWWUOKQ-VIFPVBQESA-N 1 1 315.417 -2.167 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000569336975 372819088 /nfs/dbraw/zinc/81/90/88/372819088.db2.gz VROFHKLNHKABRF-JTQLQIEISA-N 1 1 319.427 -1.164 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000600480757 372837868 /nfs/dbraw/zinc/83/78/68/372837868.db2.gz MPCBALDUHYTDSA-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO O[C@H](CN1CCOCC1)C[NH+]1CCN(c2nccnn2)CC1 ZINC000625636954 372829663 /nfs/dbraw/zinc/82/96/63/372829663.db2.gz FIIPRYCRHJMBJP-ZDUSSCGKSA-N 1 1 308.386 -1.313 20 0 DAADMO CC[N@H+]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000118827021 372864001 /nfs/dbraw/zinc/86/40/01/372864001.db2.gz BVPFEFPAFMLVKN-UHFFFAOYSA-N 1 1 323.397 -1.124 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOCC(N)=O)CC1=O ZINC000367548859 372866627 /nfs/dbraw/zinc/86/66/27/372866627.db2.gz FNNSGWGWOOVCGR-WDEREUQCSA-N 1 1 312.370 -1.148 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561256494 372869780 /nfs/dbraw/zinc/86/97/80/372869780.db2.gz ZUJUATBHGKOEEM-GFCCVEGCSA-N 1 1 315.418 -2.218 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000561720005 372872336 /nfs/dbraw/zinc/87/23/36/372872336.db2.gz GVUIQSZCWZKPFM-SECBINFHSA-N 1 1 307.416 -1.008 20 0 DAADMO CC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000247114176 372875756 /nfs/dbraw/zinc/87/57/56/372875756.db2.gz JELVBXHLIBLWGO-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000565075327 372878111 /nfs/dbraw/zinc/87/81/11/372878111.db2.gz FBXGSYYFPBSLKK-NSHDSACASA-N 1 1 308.404 -2.093 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000358558594 372856675 /nfs/dbraw/zinc/85/66/75/372856675.db2.gz IFRJLSQDMPZAEZ-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626044747 372857529 /nfs/dbraw/zinc/85/75/29/372857529.db2.gz RYZAUCBJGCCDMO-LPEHRKFASA-N 1 1 324.381 -1.060 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000358628979 372857838 /nfs/dbraw/zinc/85/78/38/372857838.db2.gz LVZSAXAOGRACBV-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC(NS(N)(=O)=O)CC2)CC1 ZINC000626033787 372859621 /nfs/dbraw/zinc/85/96/21/372859621.db2.gz BWEGGHOAOBILNX-UHFFFAOYSA-N 1 1 319.431 -1.982 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096849 372861015 /nfs/dbraw/zinc/86/10/15/372861015.db2.gz FMTCCXXPTNYRPG-VXGBXAGGSA-N 1 1 309.432 -1.451 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631931 372888506 /nfs/dbraw/zinc/88/85/06/372888506.db2.gz ZVVKGLZARFLKGR-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622630968 372888813 /nfs/dbraw/zinc/88/88/13/372888813.db2.gz COQOQTUALIKFNR-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630832 372889599 /nfs/dbraw/zinc/88/95/99/372889599.db2.gz ZXOOEPNNEBTBPF-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](CNC(C)=O)C1 ZINC000562945984 372891352 /nfs/dbraw/zinc/89/13/52/372891352.db2.gz KGPMLVXGSHZGJZ-KBPBESRZSA-N 1 1 303.403 -1.238 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC000363571155 372891523 /nfs/dbraw/zinc/89/15/23/372891523.db2.gz JHXOUIZFTGQELE-VHSXEESVSA-N 1 1 308.342 -1.644 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1nncn1C ZINC000632340602 372891626 /nfs/dbraw/zinc/89/16/26/372891626.db2.gz IVFKDXPYMFYLHX-UHFFFAOYSA-N 1 1 304.420 -1.023 20 0 DAADMO CN(CCCNS(=O)(=O)c1nncn1C)CC[NH+](C)C ZINC000632340602 372891635 /nfs/dbraw/zinc/89/16/35/372891635.db2.gz IVFKDXPYMFYLHX-UHFFFAOYSA-N 1 1 304.420 -1.023 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903933 372901765 /nfs/dbraw/zinc/90/17/65/372901765.db2.gz MUADSMLRGOCFKV-SFXRXQKFSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903933 372901770 /nfs/dbraw/zinc/90/17/70/372901770.db2.gz MUADSMLRGOCFKV-SFXRXQKFSA-N 1 1 305.400 -1.098 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000601066054 372898686 /nfs/dbraw/zinc/89/86/86/372898686.db2.gz FLVICSFMXKUZSN-NWDGAFQWSA-N 1 1 323.415 -1.636 20 0 DAADMO C[C@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C[N@H+]1C1CC1 ZINC000562667597 372881523 /nfs/dbraw/zinc/88/15/23/372881523.db2.gz SGUQVKLXGZGMGQ-QWRGUYRKSA-N 1 1 323.397 -1.049 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000562442327 372882701 /nfs/dbraw/zinc/88/27/01/372882701.db2.gz OMDLRCQUOKVSEI-QWHCGFSZSA-N 1 1 303.403 -1.550 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000562850369 372884034 /nfs/dbraw/zinc/88/40/34/372884034.db2.gz QVAVDZGHFBBYKH-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000562850369 372884041 /nfs/dbraw/zinc/88/40/41/372884041.db2.gz QVAVDZGHFBBYKH-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO NC(=O)CN1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092886618 372887157 /nfs/dbraw/zinc/88/71/57/372887157.db2.gz QHBCYEKTOKGGRZ-UHFFFAOYSA-N 1 1 302.342 -1.148 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204223 372887683 /nfs/dbraw/zinc/88/76/83/372887683.db2.gz IGVMRLILNDHRMJ-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622631317 372887958 /nfs/dbraw/zinc/88/79/58/372887958.db2.gz KXNSJSNVNKUMIF-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO NC(=O)C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000636448202 372924404 /nfs/dbraw/zinc/92/44/04/372924404.db2.gz ZNQCJTOQSAQUJZ-GFCCVEGCSA-N 1 1 314.386 -1.006 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000151449920 372906757 /nfs/dbraw/zinc/90/67/57/372906757.db2.gz MSUYQTFMKPZOHP-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCC(NS(=O)(=O)NC)CC1 ZINC000569864602 372907013 /nfs/dbraw/zinc/90/70/13/372907013.db2.gz YWHMVDCDDIPKRW-GFCCVEGCSA-N 1 1 308.448 -1.183 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000565244789 372907126 /nfs/dbraw/zinc/90/71/26/372907126.db2.gz ISNMUXLXZCDSLL-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)CCCc2nn[nH]n2)CC1=O ZINC000636121584 372911926 /nfs/dbraw/zinc/91/19/26/372911926.db2.gz VVTDIWAEDCIVEV-UHFFFAOYSA-N 1 1 309.374 -1.245 20 0 DAADMO O=C(CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)N1CCNC(=O)C1 ZINC000643963230 372912667 /nfs/dbraw/zinc/91/26/67/372912667.db2.gz POIPSFSDAORWHR-UPJWGTAASA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)N1CCNC(=O)C1 ZINC000643963230 372912671 /nfs/dbraw/zinc/91/26/71/372912671.db2.gz POIPSFSDAORWHR-UPJWGTAASA-N 1 1 310.398 -1.478 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000636259155 372915876 /nfs/dbraw/zinc/91/58/76/372915876.db2.gz ZPMCWDKIFPPMSX-WDEREUQCSA-N 1 1 303.384 -1.390 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC(OCC(=O)N(C)C)C1 ZINC000570739753 372916443 /nfs/dbraw/zinc/91/64/43/372916443.db2.gz SUMLNLNGOVOUIB-LBPRGKRZSA-N 1 1 303.403 -1.286 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000570763527 372916786 /nfs/dbraw/zinc/91/67/86/372916786.db2.gz SKWVPLINRCZGOG-NEPJUHHUSA-N 1 1 314.386 -2.432 20 0 DAADMO Nc1nc(N)[nH+]c(NCc2cccc(N3CCOCC3)n2)n1 ZINC000624112746 372916852 /nfs/dbraw/zinc/91/68/52/372916852.db2.gz KAIGJDYAPVIQRT-UHFFFAOYSA-N 1 1 302.342 -1.038 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000636259149 372917414 /nfs/dbraw/zinc/91/74/14/372917414.db2.gz ZPMCWDKIFPPMSX-GHMZBOCLSA-N 1 1 303.384 -1.390 20 0 DAADMO C[C@H](C(=O)NC1(CNC(=O)[C@@H](C)[NH+](C)C)COC1)N(C)C ZINC000636308034 372918370 /nfs/dbraw/zinc/91/83/70/372918370.db2.gz UYCLQNYADYONNE-GHMZBOCLSA-N 1 1 300.403 -1.112 20 0 DAADMO C[C@H](C(=O)NCC1(NC(=O)[C@@H](C)[NH+](C)C)COC1)N(C)C ZINC000636308034 372918381 /nfs/dbraw/zinc/91/83/81/372918381.db2.gz UYCLQNYADYONNE-GHMZBOCLSA-N 1 1 300.403 -1.112 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(C(N)=O)cn1C ZINC000636317505 372919038 /nfs/dbraw/zinc/91/90/38/372919038.db2.gz QKNHIFUOYOJWAI-UHFFFAOYSA-N 1 1 321.381 -1.030 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000636313901 372919097 /nfs/dbraw/zinc/91/90/97/372919097.db2.gz FHMRLIQRIIRLHW-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)c1cn(CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000636314623 372919261 /nfs/dbraw/zinc/91/92/61/372919261.db2.gz BWQSBDCWHQNHBM-UHFFFAOYSA-N 1 1 322.369 -1.287 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626166316 372919454 /nfs/dbraw/zinc/91/94/54/372919454.db2.gz SNCBPCWYYZCOCK-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626166316 372919457 /nfs/dbraw/zinc/91/94/57/372919457.db2.gz SNCBPCWYYZCOCK-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000580046467 372923092 /nfs/dbraw/zinc/92/30/92/372923092.db2.gz CEDZMFLSZLFZTP-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000178763692 372932385 /nfs/dbraw/zinc/93/23/85/372932385.db2.gz VBXGCLZZSZJBQG-VIFPVBQESA-N 1 1 310.354 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000178763692 372932387 /nfs/dbraw/zinc/93/23/87/372932387.db2.gz VBXGCLZZSZJBQG-VIFPVBQESA-N 1 1 310.354 -1.183 20 0 DAADMO COC(=O)C1(CS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000601392842 372939807 /nfs/dbraw/zinc/93/98/07/372939807.db2.gz UMAIEBJJAHPJRQ-GFCCVEGCSA-N 1 1 306.384 -1.074 20 0 DAADMO O=C(CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000636521515 372939913 /nfs/dbraw/zinc/93/99/13/372939913.db2.gz ZOMGWVHEYDCUEP-GFCCVEGCSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000601350391 372940965 /nfs/dbraw/zinc/94/09/65/372940965.db2.gz MCEBEOIQRUQCTR-LBPRGKRZSA-N 1 1 323.401 -1.004 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000591885011 372961796 /nfs/dbraw/zinc/96/17/96/372961796.db2.gz VIMWHRAWTHDHLN-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592196510 372966518 /nfs/dbraw/zinc/96/65/18/372966518.db2.gz KSYYDJSYDSGMEG-UWVGGRQHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)[C@H](NCC(=O)N1CC[NH+](C)CC1)c1ccnn1C ZINC000592167404 372966812 /nfs/dbraw/zinc/96/68/12/372966812.db2.gz GDCWOOTYKKZWMG-CYBMUJFWSA-N 1 1 309.370 -1.002 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592206407 372967123 /nfs/dbraw/zinc/96/71/23/372967123.db2.gz FVSKBTGAHDPCFK-NXEZZACHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592206407 372967128 /nfs/dbraw/zinc/96/71/28/372967128.db2.gz FVSKBTGAHDPCFK-NXEZZACHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197872 372967150 /nfs/dbraw/zinc/96/71/50/372967150.db2.gz PTNGDGKBPNYRQD-WDEREUQCSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197872 372967160 /nfs/dbraw/zinc/96/71/60/372967160.db2.gz PTNGDGKBPNYRQD-WDEREUQCSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197869 372967461 /nfs/dbraw/zinc/96/74/61/372967461.db2.gz PTNGDGKBPNYRQD-GHMZBOCLSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197869 372967469 /nfs/dbraw/zinc/96/74/69/372967469.db2.gz PTNGDGKBPNYRQD-GHMZBOCLSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000592936740 372978352 /nfs/dbraw/zinc/97/83/52/372978352.db2.gz LXYJAGCNPMJNGT-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000593061544 372980182 /nfs/dbraw/zinc/98/01/82/372980182.db2.gz RSGKJBSMSGZSCP-GARJFASQSA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000593061544 372980189 /nfs/dbraw/zinc/98/01/89/372980189.db2.gz RSGKJBSMSGZSCP-GARJFASQSA-N 1 1 303.359 -1.071 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000591444811 372954754 /nfs/dbraw/zinc/95/47/54/372954754.db2.gz RKPCCWRRGWKHRJ-LBPRGKRZSA-N 1 1 318.443 -1.369 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000591444810 372954917 /nfs/dbraw/zinc/95/49/17/372954917.db2.gz RKPCCWRRGWKHRJ-GFCCVEGCSA-N 1 1 318.443 -1.369 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000636643700 372954961 /nfs/dbraw/zinc/95/49/61/372954961.db2.gz XOIVHSPBBHCHNK-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000591084261 372955112 /nfs/dbraw/zinc/95/51/12/372955112.db2.gz OLFPNICOVPAGME-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000591084261 372955114 /nfs/dbraw/zinc/95/51/14/372955114.db2.gz OLFPNICOVPAGME-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595669421 373000494 /nfs/dbraw/zinc/00/04/94/373000494.db2.gz IUFPNWGVWARQPP-MFKMUULPSA-N 1 1 315.370 -1.109 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000595551470 373000740 /nfs/dbraw/zinc/00/07/40/373000740.db2.gz MGNQRONKADEMDB-VIFPVBQESA-N 1 1 312.326 -1.708 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000595551470 373000745 /nfs/dbraw/zinc/00/07/45/373000745.db2.gz MGNQRONKADEMDB-VIFPVBQESA-N 1 1 312.326 -1.708 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000595551468 373000836 /nfs/dbraw/zinc/00/08/36/373000836.db2.gz MGNQRONKADEMDB-SECBINFHSA-N 1 1 312.326 -1.708 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000595551468 373000842 /nfs/dbraw/zinc/00/08/42/373000842.db2.gz MGNQRONKADEMDB-SECBINFHSA-N 1 1 312.326 -1.708 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000595523151 373000940 /nfs/dbraw/zinc/00/09/40/373000940.db2.gz ITOXTWWGSHNDBI-AXFHLTTASA-N 1 1 323.349 -1.255 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000595957819 373006109 /nfs/dbraw/zinc/00/61/09/373006109.db2.gz XKHOXPPNBJJSPF-PWSUYJOCSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000595946720 373006432 /nfs/dbraw/zinc/00/64/32/373006432.db2.gz XMQIQBPPZNHMFI-MNOVXSKESA-N 1 1 314.386 -1.420 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000595943380 373006700 /nfs/dbraw/zinc/00/67/00/373006700.db2.gz NYBFSKWXBSHNAA-NSHDSACASA-N 1 1 300.359 -1.843 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](C)C1 ZINC000593743928 372985454 /nfs/dbraw/zinc/98/54/54/372985454.db2.gz NZQBHXKPSWPJMW-VHSXEESVSA-N 1 1 319.383 -1.759 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594023498 372987051 /nfs/dbraw/zinc/98/70/51/372987051.db2.gz LSECQEOSBPMLTQ-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594023499 372988585 /nfs/dbraw/zinc/98/85/85/372988585.db2.gz LSECQEOSBPMLTQ-SDDRHHMPSA-N 1 1 314.386 -1.402 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CC[N@@H+](C)C1 ZINC000594368507 372991582 /nfs/dbraw/zinc/99/15/82/372991582.db2.gz BVMGMIVQHAEPJD-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CCNS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598791758 373032252 /nfs/dbraw/zinc/03/22/52/373032252.db2.gz LHHNMSAYZGBRGE-SNVBAGLBSA-N 1 1 321.399 -1.511 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)CC[N@H+](C)C1 ZINC000598791612 373032499 /nfs/dbraw/zinc/03/24/99/373032499.db2.gz CZKIUFGCTUBFBJ-QWHCGFSZSA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000598791612 373032509 /nfs/dbraw/zinc/03/25/09/373032509.db2.gz CZKIUFGCTUBFBJ-QWHCGFSZSA-N 1 1 324.381 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000598793333 373032543 /nfs/dbraw/zinc/03/25/43/373032543.db2.gz SCVRZBDAQCYKKK-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000598602616 373032745 /nfs/dbraw/zinc/03/27/45/373032745.db2.gz CCUNFRJGPBUBJX-SECBINFHSA-N 1 1 317.371 -1.139 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000598602616 373032751 /nfs/dbraw/zinc/03/27/51/373032751.db2.gz CCUNFRJGPBUBJX-SECBINFHSA-N 1 1 317.371 -1.139 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598790657 373032939 /nfs/dbraw/zinc/03/29/39/373032939.db2.gz DRMCUFIHUJCMMV-VHSXEESVSA-N 1 1 321.399 -1.513 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000599306848 373039370 /nfs/dbraw/zinc/03/93/70/373039370.db2.gz LYBXOUWSPJXNBD-STQMWFEESA-N 1 1 304.387 -1.075 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000599570293 373048347 /nfs/dbraw/zinc/04/83/47/373048347.db2.gz WEJGESZNLVVKMC-JSGCOSHPSA-N 1 1 302.371 -1.057 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599569927 373048770 /nfs/dbraw/zinc/04/87/70/373048770.db2.gz RATAFLFQAMVFFM-CYBMUJFWSA-N 1 1 302.327 -1.070 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599569927 373048775 /nfs/dbraw/zinc/04/87/75/373048775.db2.gz RATAFLFQAMVFFM-CYBMUJFWSA-N 1 1 302.327 -1.070 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000599692567 373050135 /nfs/dbraw/zinc/05/01/35/373050135.db2.gz JZMOOGAIQSHOSD-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000599692567 373050143 /nfs/dbraw/zinc/05/01/43/373050143.db2.gz JZMOOGAIQSHOSD-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)NCC(F)(F)C[NH3+] ZINC000599928085 373052781 /nfs/dbraw/zinc/05/27/81/373052781.db2.gz BPZVPNWNGLYJOS-UHFFFAOYSA-N 1 1 310.301 -1.051 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[N@H+](C)C1 ZINC000600011309 373054298 /nfs/dbraw/zinc/05/42/98/373054298.db2.gz HIQWLHYLFCLQDK-AXFHLTTASA-N 1 1 313.354 -1.418 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[N@@H+](C)C1 ZINC000600011309 373054311 /nfs/dbraw/zinc/05/43/11/373054311.db2.gz HIQWLHYLFCLQDK-AXFHLTTASA-N 1 1 313.354 -1.418 20 0 DAADMO COC(=O)c1cnn(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000600084920 373055762 /nfs/dbraw/zinc/05/57/62/373055762.db2.gz BGIIYGYDIFMQSE-NWDGAFQWSA-N 1 1 308.338 -1.053 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C1 ZINC000601751793 373057318 /nfs/dbraw/zinc/05/73/18/373057318.db2.gz HPXYZUJCPSIZRZ-DCAQKATOSA-N 1 1 315.370 -1.111 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C1 ZINC000601751793 373057335 /nfs/dbraw/zinc/05/73/35/373057335.db2.gz HPXYZUJCPSIZRZ-DCAQKATOSA-N 1 1 315.370 -1.111 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603551052 373068997 /nfs/dbraw/zinc/06/89/97/373068997.db2.gz IBNISPHEBALFAF-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C1 ZINC000601751800 373058747 /nfs/dbraw/zinc/05/87/47/373058747.db2.gz HPXYZUJCPSIZRZ-GARJFASQSA-N 1 1 315.370 -1.111 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C1 ZINC000601751800 373058750 /nfs/dbraw/zinc/05/87/50/373058750.db2.gz HPXYZUJCPSIZRZ-GARJFASQSA-N 1 1 315.370 -1.111 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000602359742 373060246 /nfs/dbraw/zinc/06/02/46/373060246.db2.gz IHPFVKKCGWKBTC-LLVKDONJSA-N 1 1 303.359 -1.116 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000602359742 373060253 /nfs/dbraw/zinc/06/02/53/373060253.db2.gz IHPFVKKCGWKBTC-LLVKDONJSA-N 1 1 303.359 -1.116 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CC(=O)N(C)C1=O ZINC000627777124 373060282 /nfs/dbraw/zinc/06/02/82/373060282.db2.gz QAPSUFCNEGMIJJ-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989523 373066381 /nfs/dbraw/zinc/06/63/81/373066381.db2.gz RQBZDSIRNKMIKU-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1)C(C)C ZINC000599529794 373046327 /nfs/dbraw/zinc/04/63/27/373046327.db2.gz PVCKRGSGBXODIR-GVXVVHGQSA-N 1 1 302.371 -1.167 20 0 DAADMO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)NCC(=O)OC)CCO1 ZINC000599539336 373047718 /nfs/dbraw/zinc/04/77/18/373047718.db2.gz BIOLIETUYMAIOL-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)NCC(=O)OC)CCO1 ZINC000599539336 373047724 /nfs/dbraw/zinc/04/77/24/373047724.db2.gz BIOLIETUYMAIOL-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(Cc3nc(N)nc(N)n3)CC2)C1 ZINC000604389804 373074195 /nfs/dbraw/zinc/07/41/95/373074195.db2.gz USWOJINRECLDMY-LLVKDONJSA-N 1 1 306.418 -1.091 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000604483046 373074742 /nfs/dbraw/zinc/07/47/42/373074742.db2.gz YZMPNAKIIGZPAP-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000609487535 373076342 /nfs/dbraw/zinc/07/63/42/373076342.db2.gz KYDUUMFBSSUWRZ-SNVBAGLBSA-N 1 1 321.399 -1.321 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000637105626 373079362 /nfs/dbraw/zinc/07/93/62/373079362.db2.gz NUKULLLTBGFCEM-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637189759 373084042 /nfs/dbraw/zinc/08/40/42/373084042.db2.gz YFNTZMBVFHTKQY-JTQLQIEISA-N 1 1 307.420 -1.224 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000637171194 373085773 /nfs/dbraw/zinc/08/57/73/373085773.db2.gz OLIXIXZUHDVMDO-UHFFFAOYSA-N 1 1 320.415 -1.348 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000365719901 373101179 /nfs/dbraw/zinc/10/11/79/373101179.db2.gz SHHNWVAEXAPMDK-SNVBAGLBSA-N 1 1 301.343 -1.416 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000365719901 373101188 /nfs/dbraw/zinc/10/11/88/373101188.db2.gz SHHNWVAEXAPMDK-SNVBAGLBSA-N 1 1 301.343 -1.416 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000112201946 373111290 /nfs/dbraw/zinc/11/12/90/373111290.db2.gz FVTCDIZLIHBAJH-AWEZNQCLSA-N 1 1 324.425 -1.011 20 0 DAADMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000338597365 373115563 /nfs/dbraw/zinc/11/55/63/373115563.db2.gz FMQIYUNDIVKQBL-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000636949031 373071153 /nfs/dbraw/zinc/07/11/53/373071153.db2.gz AZFCPNKXBIKTKP-KOLCDFICSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636949031 373071159 /nfs/dbraw/zinc/07/11/59/373071159.db2.gz AZFCPNKXBIKTKP-KOLCDFICSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@@H](NC(=O)N(CCO)CCOCCO)[C@@H]1C[N@H+](C)CCO1 ZINC000636949595 373071289 /nfs/dbraw/zinc/07/12/89/373071289.db2.gz INTBNRAXPFGDAO-OLZOCXBDSA-N 1 1 319.402 -1.282 20 0 DAADMO C[C@@H](NC(=O)N(CCO)CCOCCO)[C@@H]1C[N@@H+](C)CCO1 ZINC000636949595 373071296 /nfs/dbraw/zinc/07/12/96/373071296.db2.gz INTBNRAXPFGDAO-OLZOCXBDSA-N 1 1 319.402 -1.282 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000052875789 373155188 /nfs/dbraw/zinc/15/51/88/373155188.db2.gz DRIXVHZTEOTISK-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000052692555 373155963 /nfs/dbraw/zinc/15/59/63/373155963.db2.gz FTUYAKOTWRJYEY-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000052692555 373155971 /nfs/dbraw/zinc/15/59/71/373155971.db2.gz FTUYAKOTWRJYEY-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000268112028 373162977 /nfs/dbraw/zinc/16/29/77/373162977.db2.gz MHEASZOKDLYDQX-UHFFFAOYSA-N 1 1 315.399 -1.091 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCn2cncn2)CC1 ZINC000338763311 373120795 /nfs/dbraw/zinc/12/07/95/373120795.db2.gz SNASSKYLXWKZKD-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339095248 373123543 /nfs/dbraw/zinc/12/35/43/373123543.db2.gz KOMBVYYMQDFTBZ-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339095248 373123547 /nfs/dbraw/zinc/12/35/47/373123547.db2.gz KOMBVYYMQDFTBZ-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000339580078 373128804 /nfs/dbraw/zinc/12/88/04/373128804.db2.gz DQVRWOOCTCPBFQ-CYBMUJFWSA-N 1 1 313.446 -1.194 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C[C@@H]1C ZINC000410706100 373130376 /nfs/dbraw/zinc/13/03/76/373130376.db2.gz XDKHWTDYUHESRL-CYDGBPFRSA-N 1 1 313.398 -1.261 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C[C@@H]1C ZINC000410706100 373130389 /nfs/dbraw/zinc/13/03/89/373130389.db2.gz XDKHWTDYUHESRL-CYDGBPFRSA-N 1 1 313.398 -1.261 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000534279812 373130628 /nfs/dbraw/zinc/13/06/28/373130628.db2.gz UUUXJNCFXAXBCQ-NWDGAFQWSA-N 1 1 316.427 -1.474 20 0 DAADMO O=C(CO)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000534316304 373131537 /nfs/dbraw/zinc/13/15/37/373131537.db2.gz ODCDBOUFMLROFH-CHWSQXEVSA-N 1 1 302.371 -1.321 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1=O ZINC000563411827 373134269 /nfs/dbraw/zinc/13/42/69/373134269.db2.gz FCCXJVAVGRYXAX-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398464 373135404 /nfs/dbraw/zinc/13/54/04/373135404.db2.gz NJMQYRYXVQRCTF-JHJVBQTASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398464 373135413 /nfs/dbraw/zinc/13/54/13/373135413.db2.gz NJMQYRYXVQRCTF-JHJVBQTASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398464 373135423 /nfs/dbraw/zinc/13/54/23/373135423.db2.gz NJMQYRYXVQRCTF-JHJVBQTASA-N 1 1 310.398 -1.166 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(S(N)(=O)=O)CC1 ZINC000565167655 373136722 /nfs/dbraw/zinc/13/67/22/373136722.db2.gz XWNIOQYEAJASQG-NSHDSACASA-N 1 1 310.420 -2.253 20 0 DAADMO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)[C@H]2C1 ZINC000627470063 373137444 /nfs/dbraw/zinc/13/74/44/373137444.db2.gz KYMLUUHALDPQLJ-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)[C@H]2C1 ZINC000627470063 373137448 /nfs/dbraw/zinc/13/74/48/373137448.db2.gz KYMLUUHALDPQLJ-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CC(N)=O)C1 ZINC000051826825 373139085 /nfs/dbraw/zinc/13/90/85/373139085.db2.gz SFHOWITXNDQEKA-GFCCVEGCSA-N 1 1 300.403 -1.124 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000571174623 373140717 /nfs/dbraw/zinc/14/07/17/373140717.db2.gz KUHHRWAAYXIALS-VIFPVBQESA-N 1 1 321.403 -2.504 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249322429 373141455 /nfs/dbraw/zinc/14/14/55/373141455.db2.gz RPJAWHKTPAIEQE-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CO)C1 ZINC000249322429 373141466 /nfs/dbraw/zinc/14/14/66/373141466.db2.gz RPJAWHKTPAIEQE-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)CS(C)(=O)=O)CC1 ZINC000575753363 373145144 /nfs/dbraw/zinc/14/51/44/373145144.db2.gz YMPLIFUEOIRHBT-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO Cn1cccc1C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623866874 373147393 /nfs/dbraw/zinc/14/73/93/373147393.db2.gz IUXAVYCRQJRJNW-UHFFFAOYSA-N 1 1 302.342 -1.002 20 0 DAADMO CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000340022617 373147567 /nfs/dbraw/zinc/14/75/67/373147567.db2.gz NRGPLTGRIOVIIJ-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCNC(=O)[C@H]1CC(=O)OC ZINC000571384865 373149002 /nfs/dbraw/zinc/14/90/02/373149002.db2.gz SWMQJBDEUFFERH-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCNC1=O ZINC000638173177 373210332 /nfs/dbraw/zinc/21/03/32/373210332.db2.gz CRMIBDCRMQQICK-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCNC1=O ZINC000638173176 373211032 /nfs/dbraw/zinc/21/10/32/373211032.db2.gz CRMIBDCRMQQICK-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349356 373214480 /nfs/dbraw/zinc/21/44/80/373214480.db2.gz KJKXVHHTGKQPRB-UHFFFAOYSA-N 1 1 313.383 -1.222 20 0 DAADMO O=C([C@@H]1CNCCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476450 373222484 /nfs/dbraw/zinc/22/24/84/373222484.db2.gz HYIUMZCKJQVATE-LBPRGKRZSA-N 1 1 311.386 -1.856 20 0 DAADMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000270902639 373175139 /nfs/dbraw/zinc/17/51/39/373175139.db2.gz MVRKHALDJJQZQC-BBBLOLIVSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000270902639 373175144 /nfs/dbraw/zinc/17/51/44/373175144.db2.gz MVRKHALDJJQZQC-BBBLOLIVSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000270902643 373175235 /nfs/dbraw/zinc/17/52/35/373175235.db2.gz MVRKHALDJJQZQC-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000270902643 373175241 /nfs/dbraw/zinc/17/52/41/373175241.db2.gz MVRKHALDJJQZQC-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000270902647 373175422 /nfs/dbraw/zinc/17/54/22/373175422.db2.gz MVRKHALDJJQZQC-OPRDCNLKSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000270902647 373175427 /nfs/dbraw/zinc/17/54/27/373175427.db2.gz MVRKHALDJJQZQC-OPRDCNLKSA-N 1 1 324.381 -1.060 20 0 DAADMO O[C@@H]1C[NH+](Cc2cccc(CN3C[C@@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628828 373187466 /nfs/dbraw/zinc/18/74/66/373187466.db2.gz GHISCPQVHGOBRV-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628828 373187471 /nfs/dbraw/zinc/18/74/71/373187471.db2.gz GHISCPQVHGOBRV-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628828 373187475 /nfs/dbraw/zinc/18/74/75/373187475.db2.gz GHISCPQVHGOBRV-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278714722 373190612 /nfs/dbraw/zinc/19/06/12/373190612.db2.gz KJBBNYVKBBQBNK-JHJVBQTASA-N 1 1 321.381 -1.449 20 0 DAADMO CCOCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340065460 373196218 /nfs/dbraw/zinc/19/62/18/373196218.db2.gz FTHHOFIQAKOYSC-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(=O)n(C)c1=O ZINC000280490404 373196226 /nfs/dbraw/zinc/19/62/26/373196226.db2.gz BBRUREBNBRSHIQ-AWEZNQCLSA-N 1 1 323.353 -1.954 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)c(=O)n(C)c1=O ZINC000280490404 373196229 /nfs/dbraw/zinc/19/62/29/373196229.db2.gz BBRUREBNBRSHIQ-AWEZNQCLSA-N 1 1 323.353 -1.954 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292676103 373225407 /nfs/dbraw/zinc/22/54/07/373225407.db2.gz ZWKHONQLFRILNB-AWEZNQCLSA-N 1 1 308.338 -1.039 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000192450055 373274425 /nfs/dbraw/zinc/27/44/25/373274425.db2.gz GWPYCBNHZWGMJC-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)CC(=O)N2CCNC(=O)C2)C[C@H](C)O1 ZINC000192450055 373274434 /nfs/dbraw/zinc/27/44/34/373274434.db2.gz GWPYCBNHZWGMJC-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608009514 373237920 /nfs/dbraw/zinc/23/79/20/373237920.db2.gz GXCJWLQQJSLVEV-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608009514 373237926 /nfs/dbraw/zinc/23/79/26/373237926.db2.gz GXCJWLQQJSLVEV-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299545453 373238246 /nfs/dbraw/zinc/23/82/46/373238246.db2.gz IEKDANDAMDRIGT-RTHLEPHNSA-N 1 1 323.353 -1.011 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299545453 373238251 /nfs/dbraw/zinc/23/82/51/373238251.db2.gz IEKDANDAMDRIGT-RTHLEPHNSA-N 1 1 323.353 -1.011 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000073604468 373238282 /nfs/dbraw/zinc/23/82/82/373238282.db2.gz HTAYERJIXJGYNO-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000341542292 373240188 /nfs/dbraw/zinc/24/01/88/373240188.db2.gz FRBZZBAMFCLMPJ-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000341378469 373240540 /nfs/dbraw/zinc/24/05/40/373240540.db2.gz RKDQEXLMXMNIIL-SNVBAGLBSA-N 1 1 320.415 -1.507 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC000342646816 373243784 /nfs/dbraw/zinc/24/37/84/373243784.db2.gz MACSZKCBHFGMST-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000343082975 373246023 /nfs/dbraw/zinc/24/60/23/373246023.db2.gz GBDLZGCAQJRZNZ-FRRDWIJNSA-N 1 1 312.414 -1.171 20 0 DAADMO [NH3+]CCCOCCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627489567 373249905 /nfs/dbraw/zinc/24/99/05/373249905.db2.gz FYUAMEYRZAHLND-NWDGAFQWSA-N 1 1 314.386 -2.255 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416311344 373250033 /nfs/dbraw/zinc/25/00/33/373250033.db2.gz OZYKVXDFZSYEAJ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CN1CCNCC1=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638986794 373256091 /nfs/dbraw/zinc/25/60/91/373256091.db2.gz BZHBBEKYFAAPHD-UHFFFAOYSA-N 1 1 318.381 -1.139 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)C1CC1 ZINC000343295689 373258622 /nfs/dbraw/zinc/25/86/22/373258622.db2.gz KTAWNHJAHDGXPQ-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](Cn2ccnn2)C1 ZINC000639854550 373287942 /nfs/dbraw/zinc/28/79/42/373287942.db2.gz HVZORXVPAHRJNG-KBPBESRZSA-N 1 1 313.402 -1.082 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)C1 ZINC000639850679 373289324 /nfs/dbraw/zinc/28/93/24/373289324.db2.gz FTJDWDYJWZJENN-NFAWXSAZSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000626473408 373294147 /nfs/dbraw/zinc/29/41/47/373294147.db2.gz OBHGVXMCTDFRMM-NSHDSACASA-N 1 1 310.358 -1.183 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@H+](C)C[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000639873381 373296188 /nfs/dbraw/zinc/29/61/88/373296188.db2.gz ZBAXGJAPJMVADZ-VIFPVBQESA-N 1 1 322.369 -1.931 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@@H+](C)C[C@H]3CO)nc2c(=O)n(C)c1=O ZINC000639873381 373296195 /nfs/dbraw/zinc/29/61/95/373296195.db2.gz ZBAXGJAPJMVADZ-VIFPVBQESA-N 1 1 322.369 -1.931 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000571861023 373329085 /nfs/dbraw/zinc/32/90/85/373329085.db2.gz PMGISSMSGDBIJZ-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000571861023 373329088 /nfs/dbraw/zinc/32/90/88/373329088.db2.gz PMGISSMSGDBIJZ-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@H+](C)C[C@@H]3CO)nc2c(=O)n(C)c1=O ZINC000639873379 373296626 /nfs/dbraw/zinc/29/66/26/373296626.db2.gz ZBAXGJAPJMVADZ-SECBINFHSA-N 1 1 322.369 -1.931 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@@H+](C)C[C@@H]3CO)nc2c(=O)n(C)c1=O ZINC000639873379 373296632 /nfs/dbraw/zinc/29/66/32/373296632.db2.gz ZBAXGJAPJMVADZ-SECBINFHSA-N 1 1 322.369 -1.931 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000571861027 373329404 /nfs/dbraw/zinc/32/94/04/373329404.db2.gz PMGISSMSGDBIJZ-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000571861027 373329411 /nfs/dbraw/zinc/32/94/11/373329411.db2.gz PMGISSMSGDBIJZ-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1CCO ZINC000188818606 373305087 /nfs/dbraw/zinc/30/50/87/373305087.db2.gz ZFFMQUJMMIJPKK-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000188818606 373305092 /nfs/dbraw/zinc/30/50/92/373305092.db2.gz ZFFMQUJMMIJPKK-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639947992 373305973 /nfs/dbraw/zinc/30/59/73/373305973.db2.gz YWBBZGGKSMPINS-GASCZTMLSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000640085394 373312382 /nfs/dbraw/zinc/31/23/82/373312382.db2.gz FMKHABGWOVDPGD-ZJUUUORDSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000640085394 373312393 /nfs/dbraw/zinc/31/23/93/373312393.db2.gz FMKHABGWOVDPGD-ZJUUUORDSA-N 1 1 318.399 -1.060 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000610926846 373314403 /nfs/dbraw/zinc/31/44/03/373314403.db2.gz OCLBKZLSUQXLHE-KOLCDFICSA-N 1 1 311.342 -1.100 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000610926846 373314412 /nfs/dbraw/zinc/31/44/12/373314412.db2.gz OCLBKZLSUQXLHE-KOLCDFICSA-N 1 1 311.342 -1.100 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627386679 373317001 /nfs/dbraw/zinc/31/70/01/373317001.db2.gz UZADZJRBYYHJRH-GFCCVEGCSA-N 1 1 316.402 -1.743 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)(F)CN)C[NH+]1CCOCC1 ZINC000419302486 373320885 /nfs/dbraw/zinc/32/08/85/373320885.db2.gz PTAUBBXRVJGXJL-JTQLQIEISA-N 1 1 322.356 -1.219 20 0 DAADMO NS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000074179850 373326096 /nfs/dbraw/zinc/32/60/96/373326096.db2.gz AGFGUAXVGCEXEG-UHFFFAOYSA-N 1 1 300.388 -1.218 20 0 DAADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628584845 373374255 /nfs/dbraw/zinc/37/42/55/373374255.db2.gz MATXCLKJRLTJLO-KBPBESRZSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628584845 373374259 /nfs/dbraw/zinc/37/42/59/373374259.db2.gz MATXCLKJRLTJLO-KBPBESRZSA-N 1 1 323.441 -1.168 20 0 DAADMO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCNCC3)CC2)C1 ZINC000643513666 373374318 /nfs/dbraw/zinc/37/43/18/373374318.db2.gz XGTPOEGZOVYZFR-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCNCC3)CC2)C1 ZINC000643513666 373374324 /nfs/dbraw/zinc/37/43/24/373374324.db2.gz XGTPOEGZOVYZFR-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO COCCn1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000628585029 373374786 /nfs/dbraw/zinc/37/47/86/373374786.db2.gz GYCXMIGMAPFFCA-LBPRGKRZSA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000385605400 373332057 /nfs/dbraw/zinc/33/20/57/373332057.db2.gz HOBBTWLJBCMRNZ-STQMWFEESA-N 1 1 321.443 -1.355 20 0 DAADMO CCCNC(=O)NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522668 373333795 /nfs/dbraw/zinc/33/37/95/373333795.db2.gz RERXLQGQMBROBA-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000612016436 373345892 /nfs/dbraw/zinc/34/58/92/373345892.db2.gz OOUUHYOXJOMBMT-VHSXEESVSA-N 1 1 303.384 -1.548 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000612551049 373357770 /nfs/dbraw/zinc/35/77/70/373357770.db2.gz LILDUUYGACYVDO-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000612409287 373358576 /nfs/dbraw/zinc/35/85/76/373358576.db2.gz WMHLRVSBMZVHBQ-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000612551051 373358624 /nfs/dbraw/zinc/35/86/24/373358624.db2.gz LILDUUYGACYVDO-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000612409290 373358976 /nfs/dbraw/zinc/35/89/76/373358976.db2.gz WMHLRVSBMZVHBQ-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000626926431 373366976 /nfs/dbraw/zinc/36/69/76/373366976.db2.gz HFLITECMDSVWML-NSHDSACASA-N 1 1 309.370 -1.614 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629911504 373413035 /nfs/dbraw/zinc/41/30/35/373413035.db2.gz JQOKRRSZAIOQHM-NSHDSACASA-N 1 1 305.338 -1.321 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912111 373413444 /nfs/dbraw/zinc/41/34/44/373413444.db2.gz KHNORGANZKSTIW-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911011 373414110 /nfs/dbraw/zinc/41/41/10/373414110.db2.gz NCOPRVIKKIVMCB-LBPRGKRZSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1=O ZINC000629910791 373414237 /nfs/dbraw/zinc/41/42/37/373414237.db2.gz GQHUCDKZSCVIFE-NHYWBVRUSA-N 1 1 324.381 -1.110 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2=O)cn1 ZINC000629918815 373416968 /nfs/dbraw/zinc/41/69/68/373416968.db2.gz QJIYGJSISPFJOU-AAEUAGOBSA-N 1 1 321.381 -1.044 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000629916276 373417078 /nfs/dbraw/zinc/41/70/78/373417078.db2.gz VPYHZMMZQJNSLP-VIFPVBQESA-N 1 1 314.367 -1.475 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c(=O)n1C ZINC000640867888 373419290 /nfs/dbraw/zinc/41/92/90/373419290.db2.gz XOMQLRZRQSITLC-XQQFMLRXSA-N 1 1 323.397 -1.006 20 0 DAADMO COCCNC(=O)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640836459 373420108 /nfs/dbraw/zinc/42/01/08/373420108.db2.gz FBJRUBOGEIBQHV-UHFFFAOYSA-N 1 1 310.358 -1.572 20 0 DAADMO C[NH+]1CCN(C(=O)Cn2cc(CN3CCOCC3)nn2)CC1 ZINC000640837307 373420147 /nfs/dbraw/zinc/42/01/47/373420147.db2.gz OWZTYFAFXFVPKJ-UHFFFAOYSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c(=O)n(C)c1=O ZINC000067717815 373420266 /nfs/dbraw/zinc/42/02/66/373420266.db2.gz OLQMQRJZJVEVLU-UHFFFAOYSA-N 1 1 316.383 -1.544 20 0 DAADMO NS(=O)(=O)CCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000641798135 373425974 /nfs/dbraw/zinc/42/59/74/373425974.db2.gz LDFZNPBAEMRVAE-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO COC[C@H](CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)OC ZINC000641567014 373427222 /nfs/dbraw/zinc/42/72/22/373427222.db2.gz CHQBZRYJMWVPKH-QJPTWQEYSA-N 1 1 308.400 -1.272 20 0 DAADMO COCC(=O)N[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)C(C)C ZINC000629172976 373383251 /nfs/dbraw/zinc/38/32/51/373383251.db2.gz KSYNLAWOBYHIOV-YPMHNXCESA-N 1 1 301.387 -1.044 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000629172758 373383390 /nfs/dbraw/zinc/38/33/90/373383390.db2.gz LNMSRGRYDROENU-SNVBAGLBSA-N 1 1 314.367 -1.475 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175338 373384095 /nfs/dbraw/zinc/38/40/95/373384095.db2.gz NCOPRVIKKIVMCB-GFCCVEGCSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2=O)cn1 ZINC000629166050 373384531 /nfs/dbraw/zinc/38/45/31/373384531.db2.gz QJIYGJSISPFJOU-DGCLKSJQSA-N 1 1 321.381 -1.044 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172474 373384636 /nfs/dbraw/zinc/38/46/36/373384636.db2.gz IVKSJEZDAACKEW-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170738 373384907 /nfs/dbraw/zinc/38/49/07/373384907.db2.gz XWLOZSLUJHKMFU-IUODEOHRSA-N 1 1 309.366 -1.218 20 0 DAADMO NS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629167828 373385073 /nfs/dbraw/zinc/38/50/73/373385073.db2.gz GRFLTLKMZWGACX-GHMZBOCLSA-N 1 1 320.415 -1.915 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[C@@H](O)C2)CC1=O ZINC000629173956 373385131 /nfs/dbraw/zinc/38/51/31/373385131.db2.gz LLISRGCUCCIGHN-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629527179 373390936 /nfs/dbraw/zinc/39/09/36/373390936.db2.gz MWCLXRDZECCDJH-UHFFFAOYSA-N 1 1 301.372 -1.202 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629528070 373391480 /nfs/dbraw/zinc/39/14/80/373391480.db2.gz OLZADQZHDKKOME-JTQLQIEISA-N 1 1 304.416 -1.065 20 0 DAADMO CN1CCN(S(=O)(=O)N2CC[NH+](CCCCO)CC2)CC1 ZINC000171064505 373393335 /nfs/dbraw/zinc/39/33/35/373393335.db2.gz UPULJJKLNYJPRP-UHFFFAOYSA-N 1 1 320.459 -1.131 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(=O)n(C)cn2)CC1 ZINC000640359278 373393504 /nfs/dbraw/zinc/39/35/04/373393504.db2.gz UUHVYSXGSYHNJO-UHFFFAOYSA-N 1 1 307.354 -1.326 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000629539101 373394686 /nfs/dbraw/zinc/39/46/86/373394686.db2.gz YSBWEBIPRJOBDL-SNVBAGLBSA-N 1 1 306.388 -2.076 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000629539101 373394697 /nfs/dbraw/zinc/39/46/97/373394697.db2.gz YSBWEBIPRJOBDL-SNVBAGLBSA-N 1 1 306.388 -2.076 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629536786 373395876 /nfs/dbraw/zinc/39/58/76/373395876.db2.gz LFFWOXNYKXEOHR-LLVKDONJSA-N 1 1 320.415 -1.686 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629536786 373395879 /nfs/dbraw/zinc/39/58/79/373395879.db2.gz LFFWOXNYKXEOHR-LLVKDONJSA-N 1 1 320.415 -1.686 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN(C)S(C)(=O)=O ZINC000642118427 373437368 /nfs/dbraw/zinc/43/73/68/373437368.db2.gz DAKAITMOSZRPTL-UHFFFAOYSA-N 1 1 320.415 -1.890 20 0 DAADMO O=C1C[C@@H](S(=O)(=O)NC[C@@H]2COCC[NH2+]2)CN1C1CC1 ZINC000631954114 373442886 /nfs/dbraw/zinc/44/28/86/373442886.db2.gz BSGDIZRFNULKGF-MWLCHTKSSA-N 1 1 303.384 -1.343 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613331231 373445309 /nfs/dbraw/zinc/44/53/09/373445309.db2.gz ZIZKSZBSHNBPGG-QWRGUYRKSA-N 1 1 304.416 -1.065 20 0 DAADMO Cn1cc(C[C@H](O)C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000614501879 373481432 /nfs/dbraw/zinc/48/14/32/373481432.db2.gz HGPVNOOODMJIKA-KBPBESRZSA-N 1 1 307.398 -1.170 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000613633424 373462258 /nfs/dbraw/zinc/46/22/58/373462258.db2.gz DRZOZYGTXLUCFP-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000613633424 373462268 /nfs/dbraw/zinc/46/22/68/373462268.db2.gz DRZOZYGTXLUCFP-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H](C)C1 ZINC000613656951 373464975 /nfs/dbraw/zinc/46/49/75/373464975.db2.gz XBPVXYCINROAKW-NRFQWKTPSA-N 1 1 314.382 -1.687 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000613672816 373466703 /nfs/dbraw/zinc/46/67/03/373466703.db2.gz YPJCDILOYWWGOT-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613693745 373468015 /nfs/dbraw/zinc/46/80/15/373468015.db2.gz HFJTYDBIDNQUFF-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613693745 373468029 /nfs/dbraw/zinc/46/80/29/373468029.db2.gz HFJTYDBIDNQUFF-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000613767465 373469099 /nfs/dbraw/zinc/46/90/99/373469099.db2.gz VDZXKSMPRBRWIS-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000614025105 373473859 /nfs/dbraw/zinc/47/38/59/373473859.db2.gz DFZKEZGVJBWDIE-UHFFFAOYSA-N 1 1 316.387 -1.546 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C[C@H]2C1 ZINC000614124441 373475144 /nfs/dbraw/zinc/47/51/44/373475144.db2.gz MXPQUTDSGCRNBF-SDDRHHMPSA-N 1 1 316.427 -1.078 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614506073 373482401 /nfs/dbraw/zinc/48/24/01/373482401.db2.gz VGGQFCICTZPKGA-LLVKDONJSA-N 1 1 319.431 -2.112 20 0 DAADMO CNc1nc(NCc2cc[nH]n2)[nH+]c(NCc2cc[nH]n2)n1 ZINC000538084818 373491265 /nfs/dbraw/zinc/49/12/65/373491265.db2.gz FPTQMYBTWDJSHH-UHFFFAOYSA-N 1 1 300.330 -1.151 20 0 DAADMO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000614859346 373496650 /nfs/dbraw/zinc/49/66/50/373496650.db2.gz YNDILSOHVVTZND-QMMMGPOBSA-N 1 1 317.367 -1.308 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@@H]12 ZINC000539812152 373496860 /nfs/dbraw/zinc/49/68/60/373496860.db2.gz KIGMLIHJFDKRBD-SRVKXCTJSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@@H]12 ZINC000539812152 373496872 /nfs/dbraw/zinc/49/68/72/373496872.db2.gz KIGMLIHJFDKRBD-SRVKXCTJSA-N 1 1 313.354 -1.221 20 0 DAADMO C[NH+](C)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000614859345 373497055 /nfs/dbraw/zinc/49/70/55/373497055.db2.gz YNDILSOHVVTZND-MRVPVSSYSA-N 1 1 317.367 -1.308 20 0 DAADMO O=C(NCCN1CCNC(=O)C1)NCC[NH+]1CCSCC1 ZINC000540976788 373499412 /nfs/dbraw/zinc/49/94/12/373499412.db2.gz GUBYZYQZOPCKBN-UHFFFAOYSA-N 1 1 315.443 -1.234 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000615264386 373508900 /nfs/dbraw/zinc/50/89/00/373508900.db2.gz DUSFXULURIREKB-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565308326 373519978 /nfs/dbraw/zinc/51/99/78/373519978.db2.gz SXPNFHWWGFTBKV-LLVKDONJSA-N 1 1 322.431 -1.102 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC000565896677 373523705 /nfs/dbraw/zinc/52/37/05/373523705.db2.gz SEWVCQNEVUWFCQ-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000566385391 373526894 /nfs/dbraw/zinc/52/68/94/373526894.db2.gz DURCBQPZWZZDET-RYUDHWBXSA-N 1 1 316.427 -1.474 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nnnc2CN)C1 ZINC000567046143 373531388 /nfs/dbraw/zinc/53/13/88/373531388.db2.gz SBITWAOEMQFXJU-NSHDSACASA-N 1 1 311.390 -1.395 20 0 DAADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000567173434 373533093 /nfs/dbraw/zinc/53/30/93/373533093.db2.gz ZLFKONDGAXJONC-LBPRGKRZSA-N 1 1 307.416 -1.002 20 0 DAADMO Cn1cc(C[C@@H](O)C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000614501884 373482899 /nfs/dbraw/zinc/48/28/99/373482899.db2.gz HGPVNOOODMJIKA-ZIAGYGMSSA-N 1 1 307.398 -1.170 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000567179068 373534018 /nfs/dbraw/zinc/53/40/18/373534018.db2.gz YAUUWJSDFAHGJA-NSHDSACASA-N 1 1 304.416 -1.063 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC000627252158 373485663 /nfs/dbraw/zinc/48/56/63/373485663.db2.gz MWRCNGYWJCCYHH-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000627252156 373486856 /nfs/dbraw/zinc/48/68/56/373486856.db2.gz MWRCNGYWJCCYHH-GHMZBOCLSA-N 1 1 324.381 -1.016 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000627252159 373487309 /nfs/dbraw/zinc/48/73/09/373487309.db2.gz MWRCNGYWJCCYHH-WDEREUQCSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)N1CCNC(=O)C1 ZINC000125005967 373489490 /nfs/dbraw/zinc/48/94/90/373489490.db2.gz LBDZXHMWHDQAJP-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578649852 373584634 /nfs/dbraw/zinc/58/46/34/373584634.db2.gz PJUQAXRUJWHVSW-UHFFFAOYSA-N 1 1 304.372 -2.432 20 0 DAADMO Cn1cncc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578505702 373585384 /nfs/dbraw/zinc/58/53/84/373585384.db2.gz DMABCXJUOLDDQD-UHFFFAOYSA-N 1 1 313.383 -1.521 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000579091442 373586421 /nfs/dbraw/zinc/58/64/21/373586421.db2.gz VQCOYLIIHAFZDI-HZSPNIEDSA-N 1 1 313.446 -1.014 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2CCNCC2=O)CC1 ZINC000580716429 373596994 /nfs/dbraw/zinc/59/69/94/373596994.db2.gz GZUJPEQBNATHNO-UHFFFAOYSA-N 1 1 311.386 -2.302 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000579091450 373586746 /nfs/dbraw/zinc/58/67/46/373586746.db2.gz VQCOYLIIHAFZDI-MELADBBJSA-N 1 1 313.446 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC000579120285 373588911 /nfs/dbraw/zinc/58/89/11/373588911.db2.gz LLLCYMLALPDUMZ-NSHDSACASA-N 1 1 308.338 -1.007 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC000579120285 373588920 /nfs/dbraw/zinc/58/89/20/373588920.db2.gz LLLCYMLALPDUMZ-NSHDSACASA-N 1 1 308.338 -1.007 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000567908709 373539762 /nfs/dbraw/zinc/53/97/62/373539762.db2.gz HZWVCISZFHHCLM-ZDUSSCGKSA-N 1 1 303.366 -1.014 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000579805922 373594401 /nfs/dbraw/zinc/59/44/01/373594401.db2.gz BBWVQJYWSSQPEC-IAQYHMDHSA-N 1 1 308.382 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000568145360 373543443 /nfs/dbraw/zinc/54/34/43/373543443.db2.gz UQNRPNRVJTUKMV-JTQLQIEISA-N 1 1 308.404 -1.997 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000568160632 373543591 /nfs/dbraw/zinc/54/35/91/373543591.db2.gz QPDNHWRPGSNCOB-NSHDSACASA-N 1 1 311.386 -2.351 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000568373621 373545590 /nfs/dbraw/zinc/54/55/90/373545590.db2.gz OVUIEYBKOBQGIJ-YPMHNXCESA-N 1 1 309.414 -1.559 20 0 DAADMO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000569218716 373547266 /nfs/dbraw/zinc/54/72/66/373547266.db2.gz GJXSROZWBLGITM-ZDUSSCGKSA-N 1 1 313.446 -1.242 20 0 DAADMO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000569218715 373548341 /nfs/dbraw/zinc/54/83/41/373548341.db2.gz GJXSROZWBLGITM-CYBMUJFWSA-N 1 1 313.446 -1.242 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000579758402 373595184 /nfs/dbraw/zinc/59/51/84/373595184.db2.gz BPVYFPRFAVQVGJ-YVECIDJPSA-N 1 1 313.398 -1.226 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)C[C@@H]21 ZINC000573212502 373553898 /nfs/dbraw/zinc/55/38/98/373553898.db2.gz FIAQQFMCDKFCFP-MCIONIFRSA-N 1 1 322.409 -1.308 20 0 DAADMO CN(CC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ncnc2[nH]cnc21 ZINC000573805492 373555573 /nfs/dbraw/zinc/55/55/73/373555573.db2.gz FDFJJGBTNXLDFM-SNVBAGLBSA-N 1 1 318.385 -1.110 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000573919789 373555986 /nfs/dbraw/zinc/55/59/86/373555986.db2.gz ZYCPIKCOJHGPSL-JTQLQIEISA-N 1 1 308.342 -1.594 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000579758400 373595258 /nfs/dbraw/zinc/59/52/58/373595258.db2.gz BPVYFPRFAVQVGJ-VOAKCMCISA-N 1 1 313.398 -1.226 20 0 DAADMO CC(CO)(CO)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574163137 373559675 /nfs/dbraw/zinc/55/96/75/373559675.db2.gz LERAFOLLJXHAQT-NSHDSACASA-N 1 1 316.402 -1.384 20 0 DAADMO O=C(CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCNCC1 ZINC000574518046 373561328 /nfs/dbraw/zinc/56/13/28/373561328.db2.gz RIISBYBGPKJKOX-ZDUSSCGKSA-N 1 1 320.397 -1.031 20 0 DAADMO CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000576943266 373569912 /nfs/dbraw/zinc/56/99/12/373569912.db2.gz DEQDFDGNKBJQQQ-STQMWFEESA-N 1 1 303.403 -1.502 20 0 DAADMO O=C(COC1C[NH2+]C1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000577176574 373572754 /nfs/dbraw/zinc/57/27/54/373572754.db2.gz TUUOFFFXKZZILY-GFCCVEGCSA-N 1 1 310.398 -1.355 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577121634 373573127 /nfs/dbraw/zinc/57/31/27/373573127.db2.gz HCPZHJMLCZEHGL-STQMWFEESA-N 1 1 323.459 -1.061 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)CC2 ZINC000577071760 373573870 /nfs/dbraw/zinc/57/38/70/373573870.db2.gz XJYJGWCLSBPXKF-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000580652173 373574509 /nfs/dbraw/zinc/57/45/09/373574509.db2.gz CLPIRHRFCDEZLP-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCN(CC(=O)NCCOC)CC1 ZINC000577046893 373574710 /nfs/dbraw/zinc/57/47/10/373574710.db2.gz SQXVAAJXYKUFDI-AWEZNQCLSA-N 1 1 316.446 -1.321 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000577384043 373578182 /nfs/dbraw/zinc/57/81/82/373578182.db2.gz PPEAOCJQGDJTKY-MNOVXSKESA-N 1 1 300.359 -1.839 20 0 DAADMO C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H](C)[N@H+]1CCO ZINC000615863435 373621873 /nfs/dbraw/zinc/62/18/73/373621873.db2.gz JIEZILRMIYQGKZ-BJKGOZRQSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H](C)[N@@H+]1CCO ZINC000615863435 373621882 /nfs/dbraw/zinc/62/18/82/373621882.db2.gz JIEZILRMIYQGKZ-BJKGOZRQSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000627352587 373657148 /nfs/dbraw/zinc/65/71/48/373657148.db2.gz BGAYPOJGSQHZDW-WCQYABFASA-N 1 1 312.414 -1.063 20 0 DAADMO O=C(CN1CC[NH+](CCO)CC1)NC(=O)NCC(F)(F)F ZINC000066863419 373623235 /nfs/dbraw/zinc/62/32/35/373623235.db2.gz GOAHMDNMIJPLEB-UHFFFAOYSA-N 1 1 312.292 -1.016 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C[N@@H+]1C1CC1 ZINC000627349165 373657342 /nfs/dbraw/zinc/65/73/42/373657342.db2.gz FGNKRGVBPFJLPP-GRYCIOLGSA-N 1 1 310.398 -1.168 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C[N@H+]1C1CC1 ZINC000627349165 373657350 /nfs/dbraw/zinc/65/73/50/373657350.db2.gz FGNKRGVBPFJLPP-GRYCIOLGSA-N 1 1 310.398 -1.168 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000069577877 373625888 /nfs/dbraw/zinc/62/58/88/373625888.db2.gz WBOPWZFJPDERMD-LLVKDONJSA-N 1 1 310.354 -1.236 20 0 DAADMO CC[N@@H+](CCO)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000072947173 373625933 /nfs/dbraw/zinc/62/59/33/373625933.db2.gz ATXUNRMKZLIPRC-UHFFFAOYSA-N 1 1 300.403 -1.467 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000627352588 373657399 /nfs/dbraw/zinc/65/73/99/373657399.db2.gz BGAYPOJGSQHZDW-YPMHNXCESA-N 1 1 312.414 -1.063 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000616158550 373630557 /nfs/dbraw/zinc/63/05/57/373630557.db2.gz YTQIUNLTZUYOMV-WDEREUQCSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000616158550 373630569 /nfs/dbraw/zinc/63/05/69/373630569.db2.gz YTQIUNLTZUYOMV-WDEREUQCSA-N 1 1 308.386 -1.264 20 0 DAADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627294544 373632491 /nfs/dbraw/zinc/63/24/91/373632491.db2.gz DAEYSKSNZSXZHT-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000618462495 373632793 /nfs/dbraw/zinc/63/27/93/373632793.db2.gz CKUSEKLPRWEGOL-SECBINFHSA-N 1 1 316.383 -1.544 20 0 DAADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627294546 373633472 /nfs/dbraw/zinc/63/34/72/373633472.db2.gz DAEYSKSNZSXZHT-RYUDHWBXSA-N 1 1 300.403 -1.063 20 0 DAADMO CN1CCN(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000620479518 373640764 /nfs/dbraw/zinc/64/07/64/373640764.db2.gz VCZDWWRQBXWZHN-CQSZACIVSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627313256 373642992 /nfs/dbraw/zinc/64/29/92/373642992.db2.gz ZXURNWBOBASUJO-QWHCGFSZSA-N 1 1 323.441 -1.251 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627313256 373643000 /nfs/dbraw/zinc/64/30/00/373643000.db2.gz ZXURNWBOBASUJO-QWHCGFSZSA-N 1 1 323.441 -1.251 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627313257 373644319 /nfs/dbraw/zinc/64/43/19/373644319.db2.gz ZXURNWBOBASUJO-STQMWFEESA-N 1 1 323.441 -1.251 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627313257 373644326 /nfs/dbraw/zinc/64/43/26/373644326.db2.gz ZXURNWBOBASUJO-STQMWFEESA-N 1 1 323.441 -1.251 20 0 DAADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000621521437 373645848 /nfs/dbraw/zinc/64/58/48/373645848.db2.gz OECCYAIKOWLFAG-JTQLQIEISA-N 1 1 322.456 -1.658 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000621287380 373647179 /nfs/dbraw/zinc/64/71/79/373647179.db2.gz LVZNPXXLEOSCAN-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000621287380 373647180 /nfs/dbraw/zinc/64/71/80/373647180.db2.gz LVZNPXXLEOSCAN-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](CC(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000623783153 373650962 /nfs/dbraw/zinc/65/09/62/373650962.db2.gz GOMLPQZSZAUYOF-QJPTWQEYSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](CC(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000623783153 373650968 /nfs/dbraw/zinc/65/09/68/373650968.db2.gz GOMLPQZSZAUYOF-QJPTWQEYSA-N 1 1 314.386 -1.009 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000066665890 373651453 /nfs/dbraw/zinc/65/14/53/373651453.db2.gz HGOCHVDGWFCWNS-CHWSQXEVSA-N 1 1 321.443 -1.307 20 0 DAADMO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC000622031107 373653765 /nfs/dbraw/zinc/65/37/65/373653765.db2.gz HNVSHZBNWDJRHL-OQMKEHIESA-N 1 1 322.409 -1.396 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627352901 373655147 /nfs/dbraw/zinc/65/51/47/373655147.db2.gz LXYRDCJLLXFAMY-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(S(C)(=O)=O)CC1 ZINC000383930035 373601804 /nfs/dbraw/zinc/60/18/04/373601804.db2.gz VCRTVPCNQNIECS-LBPRGKRZSA-N 1 1 309.432 -1.497 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627352904 373656327 /nfs/dbraw/zinc/65/63/27/373656327.db2.gz LXYRDCJLLXFAMY-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1nc2n(n1)CCCN2 ZINC000615480787 373609878 /nfs/dbraw/zinc/60/98/78/373609878.db2.gz RUQBUTSMTBEJRK-NSHDSACASA-N 1 1 308.386 -1.072 20 0 DAADMO COC(=O)N(C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000058920761 373621007 /nfs/dbraw/zinc/62/10/07/373621007.db2.gz LJNQXVSCGQXTMM-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NCCNS(C)(=O)=O ZINC000061735224 373621506 /nfs/dbraw/zinc/62/15/06/373621506.db2.gz AHPGBXKNOBKOBA-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000632214056 373709743 /nfs/dbraw/zinc/70/97/43/373709743.db2.gz QMJDWJRYJUTANF-NEPJUHHUSA-N 1 1 307.416 -1.697 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCCN2CCNC(=O)C2)CC1 ZINC000632165519 373709825 /nfs/dbraw/zinc/70/98/25/373709825.db2.gz IZQIDWMACBZBTQ-UHFFFAOYSA-N 1 1 318.443 -1.178 20 0 DAADMO CNC(=O)[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000632198106 373709932 /nfs/dbraw/zinc/70/99/32/373709932.db2.gz SUWFFFPYSNAWTN-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CCO1 ZINC000632198105 373710087 /nfs/dbraw/zinc/71/00/87/373710087.db2.gz SUWFFFPYSNAWTN-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCN2CCNC(=O)C2)CC1 ZINC000632196724 373710357 /nfs/dbraw/zinc/71/03/57/373710357.db2.gz GLWOKINVLACVLP-UHFFFAOYSA-N 1 1 304.416 -1.568 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632255559 373711986 /nfs/dbraw/zinc/71/19/86/373711986.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 1 1 309.432 -1.185 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632255559 373712000 /nfs/dbraw/zinc/71/20/00/373712000.db2.gz WWOAZTKXTMKAJT-GFCCVEGCSA-N 1 1 309.432 -1.185 20 0 DAADMO CCN1C[C@H](S(=O)(=O)NCC[N@@H+](CC)CCO)CC1=O ZINC000632225944 373712897 /nfs/dbraw/zinc/71/28/97/373712897.db2.gz DEGBWMWWABTSEY-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCCS(=O)(=O)NC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623849176 373661455 /nfs/dbraw/zinc/66/14/55/373661455.db2.gz YBDGBWDFVGPTEB-UHFFFAOYSA-N 1 1 315.403 -1.005 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 ZINC000623870309 373662349 /nfs/dbraw/zinc/66/23/49/373662349.db2.gz VZTOXRXKFIGGSQ-UHFFFAOYSA-N 1 1 320.357 -2.032 20 0 DAADMO CN(CCc1ccccn1)C(=O)CNc1nc(N)nc(N)[nH+]1 ZINC000623932765 373663354 /nfs/dbraw/zinc/66/33/54/373663354.db2.gz BHWAWGDSEWDDTB-UHFFFAOYSA-N 1 1 302.342 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2nc(N)nc(N)n2)C1 ZINC000624046723 373664443 /nfs/dbraw/zinc/66/44/43/373664443.db2.gz IZODURBOWDXEOC-LURJTMIESA-N 1 1 308.375 -1.214 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624032178 373664702 /nfs/dbraw/zinc/66/47/02/373664702.db2.gz CCUAWJPHGKFUQO-NKWVEPMBSA-N 1 1 301.376 -1.752 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624032177 373665156 /nfs/dbraw/zinc/66/51/56/373665156.db2.gz CCUAWJPHGKFUQO-BQBZGAKWSA-N 1 1 301.376 -1.752 20 0 DAADMO Nc1nc(N)[nH+]c(N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000624093294 373665717 /nfs/dbraw/zinc/66/57/17/373665717.db2.gz VGZGNKUENLPMJT-UHFFFAOYSA-N 1 1 313.387 -1.253 20 0 DAADMO CC(C)NS(=O)(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624187938 373667031 /nfs/dbraw/zinc/66/70/31/373667031.db2.gz QKMSPFJBVSOKOU-UHFFFAOYSA-N 1 1 316.391 -1.938 20 0 DAADMO CCS(=O)(=O)C[C@H](C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624284001 373667818 /nfs/dbraw/zinc/66/78/18/373667818.db2.gz DDCUOHOMGYZNAW-VIFPVBQESA-N 1 1 313.445 -1.110 20 0 DAADMO CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627357748 373669567 /nfs/dbraw/zinc/66/95/67/373669567.db2.gz PBYCUXIWSSOVHH-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(C)c1cc(N2C[C@H](O)[C@@H](O)C2)nc(N2C[C@H](O)[C@@H](O)C2)[nH+]1 ZINC000624480586 373671357 /nfs/dbraw/zinc/67/13/57/373671357.db2.gz QRXISOHQVQXATN-CYDGBPFRSA-N 1 1 324.381 -1.316 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627361357 373671603 /nfs/dbraw/zinc/67/16/03/373671603.db2.gz MKBMBLUZLKMYHX-LBPRGKRZSA-N 1 1 316.402 -1.825 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627361357 373671610 /nfs/dbraw/zinc/67/16/10/373671610.db2.gz MKBMBLUZLKMYHX-LBPRGKRZSA-N 1 1 316.402 -1.825 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627446532 373678022 /nfs/dbraw/zinc/67/80/22/373678022.db2.gz OUYCGNVUHKYTKH-XQQFMLRXSA-N 1 1 322.409 -1.335 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000627464024 373679689 /nfs/dbraw/zinc/67/96/89/373679689.db2.gz PDKMLFPQNIZJHE-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000627470550 373682162 /nfs/dbraw/zinc/68/21/62/373682162.db2.gz UMIYLHIBYJIOEK-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000632413122 373718570 /nfs/dbraw/zinc/71/85/70/373718570.db2.gz UAXGGFFFQDMESP-DTORHVGOSA-N 1 1 301.368 -1.385 20 0 DAADMO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCCN3)[C@H]2C1 ZINC000627470060 373682983 /nfs/dbraw/zinc/68/29/83/373682983.db2.gz KYMLUUHALDPQLJ-AGIUHOORSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCCN3)[C@H]2C1 ZINC000627470060 373682989 /nfs/dbraw/zinc/68/29/89/373682989.db2.gz KYMLUUHALDPQLJ-AGIUHOORSA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476482 373683918 /nfs/dbraw/zinc/68/39/18/373683918.db2.gz GBUAMHWEPBHBMK-ZDEQEGDKSA-N 1 1 310.398 -1.480 20 0 DAADMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1nncn1C ZINC000631898026 373693666 /nfs/dbraw/zinc/69/36/66/373693666.db2.gz XNKTVJDISQYWMG-UHFFFAOYSA-N 1 1 304.420 -1.071 20 0 DAADMO O=S(=O)(C[C@@H]1CNCCO1)NCCCN1CC[NH2+]CC1 ZINC000631900063 373697223 /nfs/dbraw/zinc/69/72/23/373697223.db2.gz GOMICHQBGHHGHI-LBPRGKRZSA-N 1 1 306.432 -1.811 20 0 DAADMO O=S(=O)(C[C@H]1CNCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631937742 373703904 /nfs/dbraw/zinc/70/39/04/373703904.db2.gz ZIFXGYDLGBVKCE-CHWSQXEVSA-N 1 1 318.443 -1.716 20 0 DAADMO O=S(=O)(C[C@@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631938182 373704686 /nfs/dbraw/zinc/70/46/86/373704686.db2.gz WZMGKGLLZBJTBT-STQMWFEESA-N 1 1 318.443 -1.716 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1=O ZINC000631937221 373704754 /nfs/dbraw/zinc/70/47/54/373704754.db2.gz UCPHTDVBLBRINA-UTUOFQBUSA-N 1 1 317.411 -1.000 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000632600115 373721040 /nfs/dbraw/zinc/72/10/40/373721040.db2.gz HUNNXTIOBMUOHF-SNVBAGLBSA-N 1 1 305.400 -1.013 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000632600114 373721943 /nfs/dbraw/zinc/72/19/43/373721943.db2.gz HUNNXTIOBMUOHF-JTQLQIEISA-N 1 1 305.400 -1.013 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)NCC[N@@H+](C)CCOC ZINC000633472038 373733488 /nfs/dbraw/zinc/73/34/88/373733488.db2.gz PARJSJDZSUBHPA-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000633875895 373735693 /nfs/dbraw/zinc/73/56/93/373735693.db2.gz DWYOGCHLZLGKFY-GASCZTMLSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@@H](C(=O)NC1(CNC(=O)[C@H](C)[NH+](C)C)COC1)N(C)C ZINC000633917095 373736023 /nfs/dbraw/zinc/73/60/23/373736023.db2.gz UYCLQNYADYONNE-QWRGUYRKSA-N 1 1 300.403 -1.112 20 0 DAADMO C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)[NH+](C)C)COC1)N(C)C ZINC000633917095 373736026 /nfs/dbraw/zinc/73/60/26/373736026.db2.gz UYCLQNYADYONNE-QWRGUYRKSA-N 1 1 300.403 -1.112 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)NC)C1 ZINC000634516115 373739989 /nfs/dbraw/zinc/73/99/89/373739989.db2.gz BGEPOWZCYZGBPV-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)NC)C1 ZINC000634516115 373739994 /nfs/dbraw/zinc/73/99/94/373739994.db2.gz BGEPOWZCYZGBPV-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467819 781963928 /nfs/dbraw/zinc/96/39/28/781963928.db2.gz MHMNECPKWZUNLO-QJPTWQEYSA-N 1 1 316.402 -1.123 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467819 781963939 /nfs/dbraw/zinc/96/39/39/781963939.db2.gz MHMNECPKWZUNLO-QJPTWQEYSA-N 1 1 316.402 -1.123 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2O)C1 ZINC001192445332 781965293 /nfs/dbraw/zinc/96/52/93/781965293.db2.gz VCRSGSWYIWIMRP-LERXQTSPSA-N 1 1 313.398 -1.213 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001192451903 781965460 /nfs/dbraw/zinc/96/54/60/781965460.db2.gz CGALGEDXODUVJB-ZIAGYGMSSA-N 1 1 321.377 -1.024 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001192445397 781965714 /nfs/dbraw/zinc/96/57/14/781965714.db2.gz XLRIFDXRKLCRLH-MVWJERBFSA-N 1 1 324.385 -1.819 20 0 DAADMO C[C@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@H+]1CC(C)(C)O ZINC000444574210 545782259 /nfs/dbraw/zinc/78/22/59/545782259.db2.gz QWBSUCWBNROOTI-UWVGGRQHSA-N 1 1 302.375 -1.681 20 0 DAADMO C[C@H](CNC(=O)N1CCN(CC(N)=O)C(=O)C1)[N@@H+](C)C1CC1 ZINC000458279380 545785337 /nfs/dbraw/zinc/78/53/37/545785337.db2.gz BURVEHRDIVSZQS-SNVBAGLBSA-N 1 1 311.386 -1.192 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C2)cn1 ZINC001192453765 781967807 /nfs/dbraw/zinc/96/78/07/781967807.db2.gz RAJVKXDKHXBIIL-CHWSQXEVSA-N 1 1 323.397 -1.257 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192547076 781969856 /nfs/dbraw/zinc/96/98/56/781969856.db2.gz LVDVGHXEQOTINK-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192547076 781969864 /nfs/dbraw/zinc/96/98/64/781969864.db2.gz LVDVGHXEQOTINK-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192485097 781969975 /nfs/dbraw/zinc/96/99/75/781969975.db2.gz VSLHZNYEYGXLBM-YNEHKIRRSA-N 1 1 312.370 -1.869 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550119 781970081 /nfs/dbraw/zinc/97/00/81/781970081.db2.gz DEYHMOVCWFSWLC-SNVBAGLBSA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550119 781970087 /nfs/dbraw/zinc/97/00/87/781970087.db2.gz DEYHMOVCWFSWLC-SNVBAGLBSA-N 1 1 308.342 -1.320 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192550005 781970429 /nfs/dbraw/zinc/97/04/29/781970429.db2.gz CTXXIODZDDCPCI-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192552042 781970573 /nfs/dbraw/zinc/97/05/73/781970573.db2.gz WFZLLBJTINBPDZ-NSHDSACASA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192552042 781970581 /nfs/dbraw/zinc/97/05/81/781970581.db2.gz WFZLLBJTINBPDZ-NSHDSACASA-N 1 1 322.369 -1.060 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)C[C@H](C)[N@H+]1CCO ZINC000459901011 545788273 /nfs/dbraw/zinc/78/82/73/545788273.db2.gz TUWWBVZNHCNQLP-FRRDWIJNSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)C[C@H](C)[N@@H+]1CCO ZINC000459901011 545788280 /nfs/dbraw/zinc/78/82/80/545788280.db2.gz TUWWBVZNHCNQLP-FRRDWIJNSA-N 1 1 313.398 -1.117 20 0 DAADMO COCCCNC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000121361424 269710659 /nfs/dbraw/zinc/71/06/59/269710659.db2.gz PYYUXUREBIXWBU-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192563485 781972126 /nfs/dbraw/zinc/97/21/26/781972126.db2.gz ISDIUFKAZVJAOY-HRDYMLBCSA-N 1 1 323.296 -1.462 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192563485 781972134 /nfs/dbraw/zinc/97/21/34/781972134.db2.gz ISDIUFKAZVJAOY-HRDYMLBCSA-N 1 1 323.296 -1.462 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192592141 781973632 /nfs/dbraw/zinc/97/36/32/781973632.db2.gz YPONQXPKQJTFBU-IJLUTSLNSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192592141 781973639 /nfs/dbraw/zinc/97/36/39/781973639.db2.gz YPONQXPKQJTFBU-IJLUTSLNSA-N 1 1 313.354 -1.317 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC001192594126 781973727 /nfs/dbraw/zinc/97/37/27/781973727.db2.gz FANHQSQSCWVFSB-JTQLQIEISA-N 1 1 310.395 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC001192594126 781973734 /nfs/dbraw/zinc/97/37/34/781973734.db2.gz FANHQSQSCWVFSB-JTQLQIEISA-N 1 1 310.395 -1.115 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001192624262 781974844 /nfs/dbraw/zinc/97/48/44/781974844.db2.gz IKAISLINMRBSHF-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001192624262 781974849 /nfs/dbraw/zinc/97/48/49/781974849.db2.gz IKAISLINMRBSHF-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192633680 781975234 /nfs/dbraw/zinc/97/52/34/781975234.db2.gz ZPXHJYSTJQWCNE-YRGRVCCFSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192633680 781975244 /nfs/dbraw/zinc/97/52/44/781975244.db2.gz ZPXHJYSTJQWCNE-YRGRVCCFSA-N 1 1 313.398 -1.213 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000645984536 545789339 /nfs/dbraw/zinc/78/93/39/545789339.db2.gz LYBUNYRJCLKNER-GFCCVEGCSA-N 1 1 310.416 -1.022 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001192632325 781975540 /nfs/dbraw/zinc/97/55/40/781975540.db2.gz OSMUHUAQTJLYDQ-LLVKDONJSA-N 1 1 324.381 -1.123 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCF)C1)C(N)=O ZINC001192695687 781976694 /nfs/dbraw/zinc/97/66/94/781976694.db2.gz DLIHGASKKICTKH-QWRGUYRKSA-N 1 1 302.350 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCF)C1)C(N)=O ZINC001192695687 781976697 /nfs/dbraw/zinc/97/66/97/781976697.db2.gz DLIHGASKKICTKH-QWRGUYRKSA-N 1 1 302.350 -1.131 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000669925322 545790744 /nfs/dbraw/zinc/79/07/44/545790744.db2.gz URYZKPKKIPXTCB-ILDUYXDCSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000669925322 545790746 /nfs/dbraw/zinc/79/07/46/545790746.db2.gz URYZKPKKIPXTCB-ILDUYXDCSA-N 1 1 305.400 -1.097 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192686915 781977035 /nfs/dbraw/zinc/97/70/35/781977035.db2.gz YVRWULVQOCSSFP-VXGBXAGGSA-N 1 1 324.385 -1.637 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001192675524 781977069 /nfs/dbraw/zinc/97/70/69/781977069.db2.gz LOVHGCNZMBLOOX-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)C(N)=O ZINC001192687091 781977669 /nfs/dbraw/zinc/97/76/69/781977669.db2.gz AYTQXUYUNMJZCI-MNOVXSKESA-N 1 1 300.359 -2.109 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192702888 781977737 /nfs/dbraw/zinc/97/77/37/781977737.db2.gz UZPHPXOVACJJBV-HBNTYKKESA-N 1 1 318.374 -2.526 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192784604 781979196 /nfs/dbraw/zinc/97/91/96/781979196.db2.gz NCYJBSLNZQOJOI-VXGBXAGGSA-N 1 1 309.370 -1.256 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192784604 781979199 /nfs/dbraw/zinc/97/91/99/781979199.db2.gz NCYJBSLNZQOJOI-VXGBXAGGSA-N 1 1 309.370 -1.256 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192797176 781982426 /nfs/dbraw/zinc/98/24/26/781982426.db2.gz OHIPAAHIEFNNOK-IJLUTSLNSA-N 1 1 302.371 -1.540 20 0 DAADMO CC(C)(C)c1cnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001192804046 781982500 /nfs/dbraw/zinc/98/25/00/781982500.db2.gz RLJSOIQZIRXPIK-GRYCIOLGSA-N 1 1 305.386 -1.093 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837113 781984649 /nfs/dbraw/zinc/98/46/49/781984649.db2.gz HKZFVSHITPQEJD-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837113 781984655 /nfs/dbraw/zinc/98/46/55/781984655.db2.gz HKZFVSHITPQEJD-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192879020 781987588 /nfs/dbraw/zinc/98/75/88/781987588.db2.gz RWXQVNARMNJCJW-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001192930773 781987653 /nfs/dbraw/zinc/98/76/53/781987653.db2.gz ANXGQOPFPYMAET-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192945204 781988551 /nfs/dbraw/zinc/98/85/51/781988551.db2.gz ZIJGRMBMMMMRLZ-BFHYXJOUSA-N 1 1 316.398 -1.028 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916738 781988577 /nfs/dbraw/zinc/98/85/77/781988577.db2.gz OJTBDBQCXZMRRZ-NXEZZACHSA-N 1 1 308.404 -2.094 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)N1CCCCC1=O ZINC001192942523 781988619 /nfs/dbraw/zinc/98/86/19/781988619.db2.gz CXIQTCWSGWFQGE-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192879019 781988722 /nfs/dbraw/zinc/98/87/22/781988722.db2.gz RWXQVNARMNJCJW-NWDGAFQWSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001192998242 781990011 /nfs/dbraw/zinc/99/00/11/781990011.db2.gz HKHVMDLSHFMRKY-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001192998242 781990019 /nfs/dbraw/zinc/99/00/19/781990019.db2.gz HKHVMDLSHFMRKY-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193004877 781990422 /nfs/dbraw/zinc/99/04/22/781990422.db2.gz CMTJNZZHFLPKMJ-VXGBXAGGSA-N 1 1 312.374 -1.351 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001192934032 781990572 /nfs/dbraw/zinc/99/05/72/781990572.db2.gz WERICZXFDLRRAG-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001192934032 781990583 /nfs/dbraw/zinc/99/05/83/781990583.db2.gz WERICZXFDLRRAG-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001192998243 781990799 /nfs/dbraw/zinc/99/07/99/781990799.db2.gz HKHVMDLSHFMRKY-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001192998243 781990807 /nfs/dbraw/zinc/99/08/07/781990807.db2.gz HKHVMDLSHFMRKY-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001192932215 781991691 /nfs/dbraw/zinc/99/16/91/781991691.db2.gz SKKXHDXJMBXPNP-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193048796 781992282 /nfs/dbraw/zinc/99/22/82/781992282.db2.gz WOIBYZZLCXIGLQ-VIFPVBQESA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193048796 781992291 /nfs/dbraw/zinc/99/22/91/781992291.db2.gz WOIBYZZLCXIGLQ-VIFPVBQESA-N 1 1 308.342 -1.320 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193068946 781992562 /nfs/dbraw/zinc/99/25/62/781992562.db2.gz XHHQOHFJYDZFGT-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193068946 781992572 /nfs/dbraw/zinc/99/25/72/781992572.db2.gz XHHQOHFJYDZFGT-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027725 781992620 /nfs/dbraw/zinc/99/26/20/781992620.db2.gz ROPIFXWLQDKRHB-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026978 781992817 /nfs/dbraw/zinc/99/28/17/781992817.db2.gz NTELLDQFTSWPKZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026978 781992825 /nfs/dbraw/zinc/99/28/25/781992825.db2.gz NTELLDQFTSWPKZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001193005778 781994077 /nfs/dbraw/zinc/99/40/77/781994077.db2.gz YRZGGRSEGOUJMQ-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001193005778 781994086 /nfs/dbraw/zinc/99/40/86/781994086.db2.gz YRZGGRSEGOUJMQ-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)CC[N@H+]1C ZINC001193103062 781994302 /nfs/dbraw/zinc/99/43/02/781994302.db2.gz SEVRIWXGGGABOJ-AAVRWANBSA-N 1 1 315.414 -1.503 20 0 DAADMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cnn(C)c1 ZINC000273278871 130102131 /nfs/dbraw/zinc/10/21/31/130102131.db2.gz IGOOCIBLHKYNGC-QMMMGPOBSA-N 1 1 320.353 -1.067 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 ZINC000275265205 130300442 /nfs/dbraw/zinc/30/04/42/130300442.db2.gz RYCNDJOQIOMZCS-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)C3(CO)CC3)c2c(=O)n(C)c1=O ZINC000285605973 131185421 /nfs/dbraw/zinc/18/54/21/131185421.db2.gz VMBGGMHZAVKYRJ-UHFFFAOYSA-N 1 1 307.354 -1.110 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000285715809 131195337 /nfs/dbraw/zinc/19/53/37/131195337.db2.gz ATYCMCRSUFZWEJ-JTQLQIEISA-N 1 1 307.354 -1.003 20 0 DAADMO OC[C@H](O)CNc1nc(NC[C@H](O)CO)c2c([nH+]1)CCS2 ZINC000286233285 131225668 /nfs/dbraw/zinc/22/56/68/131225668.db2.gz OHCBENVTDDSHHM-JGVFFNPUSA-N 1 1 316.383 -1.345 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCNC(=O)C2)n1C ZINC000286955057 131257586 /nfs/dbraw/zinc/25/75/86/131257586.db2.gz NVXHWMNKIGZADB-UHFFFAOYSA-N 1 1 308.342 -1.939 20 0 DAADMO C[N@H+]([C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@H]1CCNC1=O ZINC001193120905 781995722 /nfs/dbraw/zinc/99/57/22/781995722.db2.gz ACWOAKFADTXKFQ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@H]1CCNC1=O ZINC001193120905 781995731 /nfs/dbraw/zinc/99/57/31/781995731.db2.gz ACWOAKFADTXKFQ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CCc1nsc(N2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)n1 ZINC000353211268 132078765 /nfs/dbraw/zinc/07/87/65/132078765.db2.gz HMNHXQOXULKKIE-MRVPVSSYSA-N 1 1 312.399 -1.048 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193087453 781995995 /nfs/dbraw/zinc/99/59/95/781995995.db2.gz BXPMULRYGYHCAD-ZETCQYMHSA-N 1 1 310.276 -1.317 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193087453 781996004 /nfs/dbraw/zinc/99/60/04/781996004.db2.gz BXPMULRYGYHCAD-ZETCQYMHSA-N 1 1 310.276 -1.317 20 0 DAADMO CC(C)(C)n1nnc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])n1 ZINC000656025725 545811367 /nfs/dbraw/zinc/81/13/67/545811367.db2.gz RMPAKIBFXAQGPN-UHFFFAOYSA-N 1 1 319.316 -1.246 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001193157017 781996335 /nfs/dbraw/zinc/99/63/35/781996335.db2.gz JWHUEZXHTFUPCA-CYZMBNFOSA-N 1 1 322.365 -1.647 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343314544 335066370 /nfs/dbraw/zinc/06/63/70/335066370.db2.gz WHAWBQWCOLFSBS-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193166491 781996914 /nfs/dbraw/zinc/99/69/14/781996914.db2.gz MGIZGJSVVVFZPL-QJPTWQEYSA-N 1 1 301.387 -1.045 20 0 DAADMO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656062920 545812487 /nfs/dbraw/zinc/81/24/87/545812487.db2.gz UYRNFXBCVSGHTF-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)O1 ZINC000656338993 545818702 /nfs/dbraw/zinc/81/87/02/545818702.db2.gz ZUGQISKTCUVJLO-RVMXOQNASA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656305031 545819947 /nfs/dbraw/zinc/81/99/47/545819947.db2.gz NNIYTTCHZRLXDQ-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670409148 545826492 /nfs/dbraw/zinc/82/64/92/545826492.db2.gz GJZKSLDZCFUSHJ-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193167271 781998099 /nfs/dbraw/zinc/99/80/99/781998099.db2.gz SMHKOTRFBXVRQJ-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627380815 545829566 /nfs/dbraw/zinc/82/95/66/545829566.db2.gz ZLTIHCKXVLWJBQ-OLZOCXBDSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380815 545829572 /nfs/dbraw/zinc/82/95/72/545829572.db2.gz ZLTIHCKXVLWJBQ-OLZOCXBDSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193190189 781998602 /nfs/dbraw/zinc/99/86/02/781998602.db2.gz GDGBWQRNZFFPRR-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)C[NH+]1CCCC1 ZINC000627398554 545830556 /nfs/dbraw/zinc/83/05/56/545830556.db2.gz PUCNKMAVKZPZBR-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193206487 781998714 /nfs/dbraw/zinc/99/87/14/781998714.db2.gz ZZEWOUGFDPJUET-SNVBAGLBSA-N 1 1 310.358 -1.650 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193206487 781998723 /nfs/dbraw/zinc/99/87/23/781998723.db2.gz ZZEWOUGFDPJUET-SNVBAGLBSA-N 1 1 310.358 -1.650 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193205710 781998797 /nfs/dbraw/zinc/99/87/97/781998797.db2.gz UYQKMCPVOJORFL-QWRGUYRKSA-N 1 1 324.385 -1.262 20 0 DAADMO Cc1occc1C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193192847 781998999 /nfs/dbraw/zinc/99/89/99/781998999.db2.gz XBFHBUFPLBLTCT-VXGBXAGGSA-N 1 1 311.338 -1.529 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193191098 781999120 /nfs/dbraw/zinc/99/91/20/781999120.db2.gz MSMOPUVWLIWVAW-QJPTWQEYSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193191098 781999131 /nfs/dbraw/zinc/99/91/31/781999131.db2.gz MSMOPUVWLIWVAW-QJPTWQEYSA-N 1 1 317.386 -1.929 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)[nH]2)[C@@H]2NCN[C@H]21 ZINC001193342492 782000346 /nfs/dbraw/zinc/00/03/46/782000346.db2.gz QYYJTTJMPFRCHR-YIZRAAEISA-N 1 1 315.175 -1.090 20 0 DAADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001193340177 782000711 /nfs/dbraw/zinc/00/07/11/782000711.db2.gz ZUAPLWRCKACAGR-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001193258489 782000956 /nfs/dbraw/zinc/00/09/56/782000956.db2.gz JWOIGQUISPEKME-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001193311743 782000983 /nfs/dbraw/zinc/00/09/83/782000983.db2.gz QUCAWSVFSOQSAB-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340169323 292173822 /nfs/dbraw/zinc/17/38/22/292173822.db2.gz WQHYQEWSMHAOTJ-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193436805 782001503 /nfs/dbraw/zinc/00/15/03/782001503.db2.gz BHFBAJWKOBJSAZ-VXGBXAGGSA-N 1 1 301.387 -1.356 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)C1=O ZINC001193443093 782002037 /nfs/dbraw/zinc/00/20/37/782002037.db2.gz SZUQOJGVMZVQIJ-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365503964 286122908 /nfs/dbraw/zinc/12/29/08/286122908.db2.gz IWHXGZNDBSGRRR-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO CN1CCC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673352061 545865125 /nfs/dbraw/zinc/86/51/25/545865125.db2.gz QYOZTVGLYBMPQY-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnnn2-c2ccccc2)[C@H]2NCN[C@H]21 ZINC001193436720 782002893 /nfs/dbraw/zinc/00/28/93/782002893.db2.gz WMTTUBHDRVUPEJ-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193446885 782003115 /nfs/dbraw/zinc/00/31/15/782003115.db2.gz BETMBJPAYPWVJE-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373249 782003243 /nfs/dbraw/zinc/00/32/43/782003243.db2.gz LYWQXGXALIVKGB-IUCAKERBSA-N 1 1 323.357 -1.537 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193382513 782003321 /nfs/dbraw/zinc/00/33/21/782003321.db2.gz JMXHSSIEVYPAGM-VIFPVBQESA-N 1 1 323.357 -1.665 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193382513 782003328 /nfs/dbraw/zinc/00/33/28/782003328.db2.gz JMXHSSIEVYPAGM-VIFPVBQESA-N 1 1 323.357 -1.665 20 0 DAADMO O=C(CCc1ccncn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193391691 782003440 /nfs/dbraw/zinc/00/34/40/782003440.db2.gz QTVJDFSDABYQSF-ZIAGYGMSSA-N 1 1 324.381 -1.421 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193465577 782004329 /nfs/dbraw/zinc/00/43/29/782004329.db2.gz WCAIKQUFXZQKNG-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001193446929 782003518 /nfs/dbraw/zinc/00/35/18/782003518.db2.gz CVUQSXGOJGFZBT-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465011 782004156 /nfs/dbraw/zinc/00/41/56/782004156.db2.gz JIQMBSGCOZJMSN-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CCNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193427601 782004970 /nfs/dbraw/zinc/00/49/70/782004970.db2.gz OUXAMNISOFKFHU-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193465432 782005075 /nfs/dbraw/zinc/00/50/75/782005075.db2.gz UCYWXFFGBDKJQH-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1=O ZINC001193421926 782005389 /nfs/dbraw/zinc/00/53/89/782005389.db2.gz KCMPJAYEKKDXBT-QJPTWQEYSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1=O ZINC001193421926 782005398 /nfs/dbraw/zinc/00/53/98/782005398.db2.gz KCMPJAYEKKDXBT-QJPTWQEYSA-N 1 1 315.370 -2.365 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465042 782005595 /nfs/dbraw/zinc/00/55/95/782005595.db2.gz JZANTBYONFXBCX-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193489135 782006529 /nfs/dbraw/zinc/00/65/29/782006529.db2.gz UINCJQSNUXJHMR-GHMZBOCLSA-N 1 1 307.416 -1.305 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488596 782006545 /nfs/dbraw/zinc/00/65/45/782006545.db2.gz INHWKCYOHZBDJI-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O ZINC001193535346 782007241 /nfs/dbraw/zinc/00/72/41/782007241.db2.gz JTFSKWOUIIXYRS-VXGBXAGGSA-N 1 1 316.402 -1.251 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193455926 782007291 /nfs/dbraw/zinc/00/72/91/782007291.db2.gz IEFMTJDELPXUCN-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001193536067 782007406 /nfs/dbraw/zinc/00/74/06/782007406.db2.gz RWBABDRZHMDUGN-IJLUTSLNSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193543990 782007768 /nfs/dbraw/zinc/00/77/68/782007768.db2.gz DYFVCKMCMLDOSV-VXGBXAGGSA-N 1 1 314.386 -1.497 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193456525 782007893 /nfs/dbraw/zinc/00/78/93/782007893.db2.gz SCVVWLREEJDPJG-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001193536149 782007936 /nfs/dbraw/zinc/00/79/36/782007936.db2.gz VOYYSIIYPBENGK-GMTAPVOTSA-N 1 1 302.375 -1.762 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001193498361 782007990 /nfs/dbraw/zinc/00/79/90/782007990.db2.gz BJFKEASCWKVBOQ-HBNTYKKESA-N 1 1 303.359 -2.319 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193504841 782009031 /nfs/dbraw/zinc/00/90/31/782009031.db2.gz DAFJRZYCAFSKFF-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001193595115 782010866 /nfs/dbraw/zinc/01/08/66/782010866.db2.gz MOJUHHARZBCKOZ-QJPTWQEYSA-N 1 1 320.361 -1.326 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001193595115 782010874 /nfs/dbraw/zinc/01/08/74/782010874.db2.gz MOJUHHARZBCKOZ-QJPTWQEYSA-N 1 1 320.361 -1.326 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297593 409328926 /nfs/dbraw/zinc/32/89/26/409328926.db2.gz MDIWCMFSWVGAFX-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298944 409328944 /nfs/dbraw/zinc/32/89/44/409328944.db2.gz GEJXXLQDUIJFAX-VHSXEESVSA-N 1 1 312.399 -1.030 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CO)CC[N@@H+]1CCO ZINC000658910883 409329557 /nfs/dbraw/zinc/32/95/57/409329557.db2.gz HEYUBYSOHQXDKX-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CO)CC[N@H+]1CCO ZINC000658910883 409329561 /nfs/dbraw/zinc/32/95/61/409329561.db2.gz HEYUBYSOHQXDKX-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295563 409329637 /nfs/dbraw/zinc/32/96/37/409329637.db2.gz DDLVTEBZCWUYEC-TUAOUCFPSA-N 1 1 319.427 -1.162 20 0 DAADMO [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)C1=O ZINC000648136028 409321524 /nfs/dbraw/zinc/32/15/24/409321524.db2.gz LVORBKZJWGNHJB-UPJWGTAASA-N 1 1 310.398 -1.085 20 0 DAADMO [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3OCCN[C@@H]3C2)C1=O ZINC000648136027 409321782 /nfs/dbraw/zinc/32/17/82/409321782.db2.gz LVORBKZJWGNHJB-JHJVBQTASA-N 1 1 310.398 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447391233 409321879 /nfs/dbraw/zinc/32/18/79/409321879.db2.gz JCDKAAZLZVGRJZ-QWRGUYRKSA-N 1 1 303.359 -1.212 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447391233 409321882 /nfs/dbraw/zinc/32/18/82/409321882.db2.gz JCDKAAZLZVGRJZ-QWRGUYRKSA-N 1 1 303.359 -1.212 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)[C@@H]2C1 ZINC000646919005 409324873 /nfs/dbraw/zinc/32/48/73/409324873.db2.gz CMZOPOQQEOUQCA-MWLCHTKSSA-N 1 1 313.383 -1.307 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646960221 409324993 /nfs/dbraw/zinc/32/49/93/409324993.db2.gz VKVDHJAWYCIQDE-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000647067107 409325799 /nfs/dbraw/zinc/32/57/99/409325799.db2.gz LMHNDRMWVKABJR-HBNTYKKESA-N 1 1 312.370 -1.532 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000647067107 409325802 /nfs/dbraw/zinc/32/58/02/409325802.db2.gz LMHNDRMWVKABJR-HBNTYKKESA-N 1 1 312.370 -1.532 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000646990369 409326008 /nfs/dbraw/zinc/32/60/08/409326008.db2.gz ASLVEAATSQCCDS-LLVKDONJSA-N 1 1 314.386 -1.283 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363370624 409326230 /nfs/dbraw/zinc/32/62/30/409326230.db2.gz MXJBMFOQDRXUCO-AXFHLTTASA-N 1 1 305.400 -1.097 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000647024148 409326422 /nfs/dbraw/zinc/32/64/22/409326422.db2.gz ZFFYFCIBJWHSBC-JTQLQIEISA-N 1 1 300.359 -1.673 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000646969975 409326754 /nfs/dbraw/zinc/32/67/54/409326754.db2.gz LGYFSHBNZPRKFT-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCN1C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000652703241 409399869 /nfs/dbraw/zinc/39/98/69/409399869.db2.gz NSHWYQWCTIKKPO-MRVPVSSYSA-N 1 1 306.313 -1.319 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C[NH+]1CCOCC1 ZINC000651366586 409363717 /nfs/dbraw/zinc/36/37/17/409363717.db2.gz CNECHOWXMMAXPW-GHMZBOCLSA-N 1 1 305.400 -1.237 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000651274587 409363977 /nfs/dbraw/zinc/36/39/77/409363977.db2.gz WKIXAUAVAUTTTR-QWRGUYRKSA-N 1 1 317.411 -1.135 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000651274588 409364059 /nfs/dbraw/zinc/36/40/59/409364059.db2.gz WKIXAUAVAUTTTR-WDEREUQCSA-N 1 1 317.411 -1.135 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651273318 409364083 /nfs/dbraw/zinc/36/40/83/409364083.db2.gz JFBCIBCZRCUXEU-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000651273635 409364105 /nfs/dbraw/zinc/36/41/05/409364105.db2.gz TUGZORSAJWEHML-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651329778 409364147 /nfs/dbraw/zinc/36/41/47/409364147.db2.gz GYHRTWFMXSQVBS-JTQLQIEISA-N 1 1 318.399 -2.042 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651303724 409364524 /nfs/dbraw/zinc/36/45/24/409364524.db2.gz CYHDYWGOAWOEQO-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651273319 409364640 /nfs/dbraw/zinc/36/46/40/409364640.db2.gz JFBCIBCZRCUXEU-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1=O ZINC000653313398 409364748 /nfs/dbraw/zinc/36/47/48/409364748.db2.gz BODITRBYDHJVND-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000651271391 409365536 /nfs/dbraw/zinc/36/55/36/409365536.db2.gz ZSDUBCPKJGHRSV-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO COC(=O)C1(O)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408082564 409368248 /nfs/dbraw/zinc/36/82/48/409368248.db2.gz YVWUWLSDJUZSGE-LBPRGKRZSA-N 1 1 311.382 -1.097 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000408098222 409371097 /nfs/dbraw/zinc/37/10/97/409371097.db2.gz CCAYCQSXQYMHPY-NSHDSACASA-N 1 1 305.400 -1.012 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651544567 409371115 /nfs/dbraw/zinc/37/11/15/409371115.db2.gz DIAJFRYTNIOIBK-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651589914 409374118 /nfs/dbraw/zinc/37/41/18/409374118.db2.gz VQIJQHNFJHLCCH-SNVBAGLBSA-N 1 1 305.400 -1.407 20 0 DAADMO O=S(=O)(N1CCCOCC1)N1CCC[N@H+](CCO)CC1 ZINC000651568504 409374338 /nfs/dbraw/zinc/37/43/38/409374338.db2.gz OZVLEJMNFDIUBQ-UHFFFAOYSA-N 1 1 307.416 -1.047 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[N@@H+]1CCO ZINC000651781197 409376074 /nfs/dbraw/zinc/37/60/74/409376074.db2.gz DSCFNGJCCKQVSN-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[N@H+]1CCO ZINC000651781197 409376078 /nfs/dbraw/zinc/37/60/78/409376078.db2.gz DSCFNGJCCKQVSN-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000651773652 409376413 /nfs/dbraw/zinc/37/64/13/409376413.db2.gz SBGYGEWPSXJNQK-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000651773653 409376706 /nfs/dbraw/zinc/37/67/06/409376706.db2.gz SBGYGEWPSXJNQK-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CCO ZINC000651845279 409378809 /nfs/dbraw/zinc/37/88/09/409378809.db2.gz IBLJKYNQAIZKCU-UHFFFAOYSA-N 1 1 310.358 -1.708 20 0 DAADMO CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC000651845279 409378815 /nfs/dbraw/zinc/37/88/15/409378815.db2.gz IBLJKYNQAIZKCU-UHFFFAOYSA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000651842333 409381040 /nfs/dbraw/zinc/38/10/40/409381040.db2.gz QVAZRKDNAZHEDQ-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO Cn1cc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000652292325 409382125 /nfs/dbraw/zinc/38/21/25/409382125.db2.gz KONPMTZZKUQDHU-LBPRGKRZSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)[N@H+]1CCO ZINC000652401403 409382308 /nfs/dbraw/zinc/38/23/08/409382308.db2.gz BVRNTKPPAVFUES-AOOOYVTPSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)[N@@H+]1CCO ZINC000652401403 409382312 /nfs/dbraw/zinc/38/23/12/409382312.db2.gz BVRNTKPPAVFUES-AOOOYVTPSA-N 1 1 310.358 -1.710 20 0 DAADMO CCO[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)C[C@H]1C[NH3+] ZINC000652201870 409382389 /nfs/dbraw/zinc/38/23/89/409382389.db2.gz RVOPALZWZFIGTB-VXGBXAGGSA-N 1 1 313.402 -1.577 20 0 DAADMO CC[N@@H+](C)CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000519711228 409382602 /nfs/dbraw/zinc/38/26/02/409382602.db2.gz RDNWOVGEGUVBPD-UHFFFAOYSA-N 1 1 309.374 -1.028 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H](C)[N@H+]1CCO ZINC000652401693 409382749 /nfs/dbraw/zinc/38/27/49/409382749.db2.gz XFCJUHMYXDRHKZ-AXFHLTTASA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H](C)[N@@H+]1CCO ZINC000652401693 409382753 /nfs/dbraw/zinc/38/27/53/409382753.db2.gz XFCJUHMYXDRHKZ-AXFHLTTASA-N 1 1 305.400 -1.408 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000652322190 409383070 /nfs/dbraw/zinc/38/30/70/409383070.db2.gz DOAHSPWUSOHIIK-WDEREUQCSA-N 1 1 304.416 -1.113 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000661704505 409383242 /nfs/dbraw/zinc/38/32/42/409383242.db2.gz ILFRCQLVXGVCOK-BJOHPYRUSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000661704505 409383249 /nfs/dbraw/zinc/38/32/49/409383249.db2.gz ILFRCQLVXGVCOK-BJOHPYRUSA-N 1 1 322.365 -1.183 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652458421 409385701 /nfs/dbraw/zinc/38/57/01/409385701.db2.gz DXBREXQEFPFGDM-GMTAPVOTSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652458421 409385706 /nfs/dbraw/zinc/38/57/06/409385706.db2.gz DXBREXQEFPFGDM-GMTAPVOTSA-N 1 1 305.400 -1.408 20 0 DAADMO CCN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C(=O)C1=O ZINC000644821970 409386279 /nfs/dbraw/zinc/38/62/79/409386279.db2.gz NPRQSKZRRAZRFG-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO C[NH+](C)CCN1CCC(CNC(=O)Cn2cn[nH]c2=O)CC1 ZINC000186921106 409386381 /nfs/dbraw/zinc/38/63/81/409386381.db2.gz OMZFQRASULDOHW-UHFFFAOYSA-N 1 1 310.402 -1.039 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000652427493 409386881 /nfs/dbraw/zinc/38/68/81/409386881.db2.gz YLBZOYUUBWVAIN-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000652427493 409386888 /nfs/dbraw/zinc/38/68/88/409386888.db2.gz YLBZOYUUBWVAIN-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000652487982 409387296 /nfs/dbraw/zinc/38/72/96/409387296.db2.gz ZIKRGYZLGWGNLQ-CHWSQXEVSA-N 1 1 315.414 -1.108 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000338126917 409388538 /nfs/dbraw/zinc/38/85/38/409388538.db2.gz JCOJGTSCQUZWJB-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO O=C(N[C@@H](CO)CN1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000644885466 409389498 /nfs/dbraw/zinc/38/94/98/409389498.db2.gz OBOGXEYWXHWHOU-ZIAGYGMSSA-N 1 1 312.414 -1.814 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@@H](CO)CN2CCOCC2)CC1 ZINC000644885840 409390249 /nfs/dbraw/zinc/39/02/49/409390249.db2.gz LTNVAQFQXIOOGW-CYBMUJFWSA-N 1 1 300.403 -1.957 20 0 DAADMO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000337024994 409390438 /nfs/dbraw/zinc/39/04/38/409390438.db2.gz BXFNVLNLZKAZDZ-WDEREUQCSA-N 1 1 322.431 -1.069 20 0 DAADMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093593 409398067 /nfs/dbraw/zinc/39/80/67/409398067.db2.gz RWEFEWCFVWIGDO-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093593 409398070 /nfs/dbraw/zinc/39/80/70/409398070.db2.gz RWEFEWCFVWIGDO-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO O=C(CN1CCNCC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000518182819 409332919 /nfs/dbraw/zinc/33/29/19/409332919.db2.gz NSRCUDHNJFEATN-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625807837 409334141 /nfs/dbraw/zinc/33/41/41/409334141.db2.gz YEPVOOZQIHKSPW-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO Cn1cc(C[C@H](O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000526047927 409339451 /nfs/dbraw/zinc/33/94/51/409339451.db2.gz SOMKYYOZCIRHLS-ZDUSSCGKSA-N 1 1 323.397 -1.396 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC(C)(CO)CO)CC1 ZINC000650640962 409339821 /nfs/dbraw/zinc/33/98/21/409339821.db2.gz LSGIZRGBSVSJNM-UHFFFAOYSA-N 1 1 302.375 -1.807 20 0 DAADMO O=C(Cn1cncn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178223 409342081 /nfs/dbraw/zinc/34/20/81/409342081.db2.gz DZYUOCAMUKBFTN-UHFFFAOYSA-N 1 1 314.371 -2.276 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H](C)CO ZINC000443348480 409345596 /nfs/dbraw/zinc/34/55/96/409345596.db2.gz RJQZSILGQTXSGV-WDEREUQCSA-N 1 1 320.415 -1.238 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000644129769 409347903 /nfs/dbraw/zinc/34/79/03/409347903.db2.gz QRDCMQZZMUSWKY-NSHDSACASA-N 1 1 309.370 -1.002 20 0 DAADMO CCCN(C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567326 409350454 /nfs/dbraw/zinc/35/04/54/409350454.db2.gz RGKSCZTUMBWCMO-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648290513 409352548 /nfs/dbraw/zinc/35/25/48/409352548.db2.gz BBOFXBRPWLKWNU-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648290513 409352554 /nfs/dbraw/zinc/35/25/54/409352554.db2.gz BBOFXBRPWLKWNU-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CS(=O)(=O)N1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000407951107 409353372 /nfs/dbraw/zinc/35/33/72/409353372.db2.gz XTWFZEFMRCLEMS-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000407951107 409353378 /nfs/dbraw/zinc/35/33/78/409353378.db2.gz XTWFZEFMRCLEMS-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407951080 409353687 /nfs/dbraw/zinc/35/36/87/409353687.db2.gz PBONDCVSNWMHQF-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000407951080 409353690 /nfs/dbraw/zinc/35/36/90/409353690.db2.gz PBONDCVSNWMHQF-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644227881 409356404 /nfs/dbraw/zinc/35/64/04/409356404.db2.gz FBDFZUSZAXFUKQ-AXFHLTTASA-N 1 1 305.400 -1.361 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1O ZINC000351777539 409458585 /nfs/dbraw/zinc/45/85/85/409458585.db2.gz FZOQKDLFCISYFE-MNOVXSKESA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1O ZINC000351774344 409458894 /nfs/dbraw/zinc/45/88/94/409458894.db2.gz LZNHIZUTRDMJLX-STQMWFEESA-N 1 1 312.414 -1.469 20 0 DAADMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351615419 409459031 /nfs/dbraw/zinc/45/90/31/409459031.db2.gz MPHJSZAXJPWQOR-RNCFNFMXSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1O ZINC000351820585 409459707 /nfs/dbraw/zinc/45/97/07/409459707.db2.gz FIHRZRXSWOBTNK-NXEZZACHSA-N 1 1 307.354 -1.254 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000351655818 409460003 /nfs/dbraw/zinc/46/00/03/409460003.db2.gz BGAMYRZZDRXLON-SECBINFHSA-N 1 1 323.353 -1.010 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647885648 409402100 /nfs/dbraw/zinc/40/21/00/409402100.db2.gz AQRMNMMUJYSSFF-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647885648 409402106 /nfs/dbraw/zinc/40/21/06/409402106.db2.gz AQRMNMMUJYSSFF-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)N1CCNCC1=O)C[NH+]1CCOCC1 ZINC000638091188 409403062 /nfs/dbraw/zinc/40/30/62/409403062.db2.gz REIPVCFBTVNBPM-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000653392648 409406214 /nfs/dbraw/zinc/40/62/14/409406214.db2.gz IAQVXYDMKIVWNH-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000425292569 409407761 /nfs/dbraw/zinc/40/77/61/409407761.db2.gz ZOICUMBHFJKGLC-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000425292569 409407767 /nfs/dbraw/zinc/40/77/67/409407767.db2.gz ZOICUMBHFJKGLC-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1O ZINC000351820586 409460180 /nfs/dbraw/zinc/46/01/80/409460180.db2.gz FIHRZRXSWOBTNK-UWVGGRQHSA-N 1 1 307.354 -1.254 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC(=O)NC1CC1 ZINC000341364289 409410459 /nfs/dbraw/zinc/41/04/59/409410459.db2.gz ILTPXZOTVOXEMA-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000340925460 409411490 /nfs/dbraw/zinc/41/14/90/409411490.db2.gz PRYUFGGXWUAIHE-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000340925460 409411498 /nfs/dbraw/zinc/41/14/98/409411498.db2.gz PRYUFGGXWUAIHE-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000340931831 409411518 /nfs/dbraw/zinc/41/15/18/409411518.db2.gz OWEKPPQRROORKG-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341476458 409413267 /nfs/dbraw/zinc/41/32/67/409413267.db2.gz CKVUIHZLOLBIDW-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351648219 409460333 /nfs/dbraw/zinc/46/03/33/409460333.db2.gz SOVQBNKHTBSULR-SDBXPKJASA-N 1 1 300.359 -1.079 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000342173232 409413789 /nfs/dbraw/zinc/41/37/89/409413789.db2.gz FPZFAFOIJZHVKU-NSHDSACASA-N 1 1 315.370 -1.155 20 0 DAADMO COC(=O)CC[N@H+]1CCN(CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000342173232 409413797 /nfs/dbraw/zinc/41/37/97/409413797.db2.gz FPZFAFOIJZHVKU-NSHDSACASA-N 1 1 315.370 -1.155 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000341499606 409414167 /nfs/dbraw/zinc/41/41/67/409414167.db2.gz NPGJIDVDBMNNTK-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366557 409416134 /nfs/dbraw/zinc/41/61/34/409416134.db2.gz VBCYRBIIKZXZEA-RYUDHWBXSA-N 1 1 307.416 -1.568 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000330469238 409416208 /nfs/dbraw/zinc/41/62/08/409416208.db2.gz ZHIBITGMUIIUTP-UHFFFAOYSA-N 1 1 324.381 -1.242 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000655577451 409416244 /nfs/dbraw/zinc/41/62/44/409416244.db2.gz PFXSKFCZUBDUQH-LBPRGKRZSA-N 1 1 323.397 -1.190 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000330365958 409417001 /nfs/dbraw/zinc/41/70/01/409417001.db2.gz UWSNCKFPJJXYAB-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366558 409417627 /nfs/dbraw/zinc/41/76/27/409417627.db2.gz VBCYRBIIKZXZEA-VXGBXAGGSA-N 1 1 307.416 -1.568 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000351637464 409460420 /nfs/dbraw/zinc/46/04/20/409460420.db2.gz VLWNCAMFQVWRIK-GWCFXTLKSA-N 1 1 301.343 -1.778 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000351637464 409460423 /nfs/dbraw/zinc/46/04/23/409460423.db2.gz VLWNCAMFQVWRIK-GWCFXTLKSA-N 1 1 301.343 -1.778 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)CC)CC1 ZINC000330485797 409417777 /nfs/dbraw/zinc/41/77/77/409417777.db2.gz CDRRTASVPQMWFQ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330496402 409417972 /nfs/dbraw/zinc/41/79/72/409417972.db2.gz XZHRVPVGBYHGLL-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330441583 409418047 /nfs/dbraw/zinc/41/80/47/409418047.db2.gz DOXDNSKCKXJFLQ-UHFFFAOYSA-N 1 1 321.403 -2.680 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330488244 409418216 /nfs/dbraw/zinc/41/82/16/409418216.db2.gz JFJDOYBVVPJXGQ-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330504491 409418810 /nfs/dbraw/zinc/41/88/10/409418810.db2.gz DWUCAVRXQGGBLB-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCOCC2)[N@H+](C)C1 ZINC000330531410 409419555 /nfs/dbraw/zinc/41/95/55/409419555.db2.gz NFRXKZMMKXMVGD-AVGNSLFASA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCOCC2)[N@@H+](C)C1 ZINC000330531410 409419564 /nfs/dbraw/zinc/41/95/64/409419564.db2.gz NFRXKZMMKXMVGD-AVGNSLFASA-N 1 1 301.387 -1.485 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C)CCN2CCOCC2)CC1 ZINC000330714757 409419641 /nfs/dbraw/zinc/41/96/41/409419641.db2.gz AQELVFSYNXLDAH-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CCN2CCOCC2)CC1 ZINC000330714757 409419649 /nfs/dbraw/zinc/41/96/49/409419649.db2.gz AQELVFSYNXLDAH-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000330700898 409421377 /nfs/dbraw/zinc/42/13/77/409421377.db2.gz GTDLXALWDTXFTF-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330683151 409421876 /nfs/dbraw/zinc/42/18/76/409421876.db2.gz ILWCGNOUHKWZNT-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000330979073 409423372 /nfs/dbraw/zinc/42/33/72/409423372.db2.gz PWXSVTVDZJVIFP-QWRGUYRKSA-N 1 1 312.370 -1.878 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)c1=O ZINC000330969996 409424553 /nfs/dbraw/zinc/42/45/53/409424553.db2.gz FEHQFYANBDRWOH-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)c1=O ZINC000330969996 409424560 /nfs/dbraw/zinc/42/45/60/409424560.db2.gz FEHQFYANBDRWOH-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000330979072 409424570 /nfs/dbraw/zinc/42/45/70/409424570.db2.gz PWXSVTVDZJVIFP-MNOVXSKESA-N 1 1 312.370 -1.878 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000330874228 409425390 /nfs/dbraw/zinc/42/53/90/409425390.db2.gz IGIIFZCYWBJVFH-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000162943016 409427317 /nfs/dbraw/zinc/42/73/17/409427317.db2.gz LHMYERNFXSSGQM-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000162943016 409427323 /nfs/dbraw/zinc/42/73/23/409427323.db2.gz LHMYERNFXSSGQM-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000105826149 409427355 /nfs/dbraw/zinc/42/73/55/409427355.db2.gz JELVBXHLIBLWGO-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000343307604 409427393 /nfs/dbraw/zinc/42/73/93/409427393.db2.gz YUZGGGOLKJWUSP-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343312543 409427594 /nfs/dbraw/zinc/42/75/94/409427594.db2.gz PKZGTNHOFJWIOJ-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H](CO)[C@H](O)C3)[C@@H]2C1 ZINC000425379323 409427845 /nfs/dbraw/zinc/42/78/45/409427845.db2.gz AOWGDKCWWGJMCV-UMSGYPCISA-N 1 1 311.382 -1.649 20 0 DAADMO CC[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000105826151 409428375 /nfs/dbraw/zinc/42/83/75/409428375.db2.gz JELVBXHLIBLWGO-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000345024170 409434647 /nfs/dbraw/zinc/43/46/47/409434647.db2.gz YETNLSJVTDMAHP-GFCCVEGCSA-N 1 1 314.367 -1.475 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000345222160 409437665 /nfs/dbraw/zinc/43/76/65/409437665.db2.gz UPNSMKSIQVPENY-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(N)=O ZINC000345222160 409437670 /nfs/dbraw/zinc/43/76/70/409437670.db2.gz UPNSMKSIQVPENY-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CCOCC1=O ZINC000345418231 409437752 /nfs/dbraw/zinc/43/77/52/409437752.db2.gz WVZFKUKYLHEAKA-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CN(CCCNC(=O)CN1CCOCC1=O)CC[NH+](C)C ZINC000345418231 409437758 /nfs/dbraw/zinc/43/77/58/409437758.db2.gz WVZFKUKYLHEAKA-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000345556256 409437827 /nfs/dbraw/zinc/43/78/27/409437827.db2.gz NVNSNPASLZJPTE-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000345868632 409440321 /nfs/dbraw/zinc/44/03/21/409440321.db2.gz FLRLVZDKMSDDTA-LLVKDONJSA-N 1 1 323.357 -2.326 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000345868632 409440327 /nfs/dbraw/zinc/44/03/27/409440327.db2.gz FLRLVZDKMSDDTA-LLVKDONJSA-N 1 1 323.357 -2.326 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000347805210 409447238 /nfs/dbraw/zinc/44/72/38/409447238.db2.gz KIUXDXBFROFSAT-UHFFFAOYSA-N 1 1 305.356 -1.029 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347880114 409447598 /nfs/dbraw/zinc/44/75/98/409447598.db2.gz HELPRFHRAOOPAM-CYBMUJFWSA-N 1 1 313.446 -1.195 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000347797444 409447685 /nfs/dbraw/zinc/44/76/85/409447685.db2.gz ZREZKWRMQDVBNQ-UHFFFAOYSA-N 1 1 322.431 -1.668 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347880117 409448043 /nfs/dbraw/zinc/44/80/43/409448043.db2.gz HELPRFHRAOOPAM-ZDUSSCGKSA-N 1 1 313.446 -1.195 20 0 DAADMO CC[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347965588 409448261 /nfs/dbraw/zinc/44/82/61/409448261.db2.gz LQUBSYBGVVIKQC-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000347994410 409449239 /nfs/dbraw/zinc/44/92/39/409449239.db2.gz NWXMGBOEUGLBBI-JTQLQIEISA-N 1 1 302.327 -1.118 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000347994410 409449242 /nfs/dbraw/zinc/44/92/42/409449242.db2.gz NWXMGBOEUGLBBI-JTQLQIEISA-N 1 1 302.327 -1.118 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NC2(c3nn[nH]n3)CC2)CC1=O ZINC000348298750 409450497 /nfs/dbraw/zinc/45/04/97/409450497.db2.gz UDTRRGHDSVNSOC-VIFPVBQESA-N 1 1 307.358 -1.285 20 0 DAADMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000348375972 409450947 /nfs/dbraw/zinc/45/09/47/409450947.db2.gz IBPFXCNJXWAINM-UHFFFAOYSA-N 1 1 301.343 -1.856 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CN1CCOCC1=O ZINC000332640928 409462000 /nfs/dbraw/zinc/46/20/00/409462000.db2.gz ZRBMFQJFPSHSGV-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000519757780 409457128 /nfs/dbraw/zinc/45/71/28/409457128.db2.gz JQILNBKENXBTNH-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO CN1C[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000333661269 409467110 /nfs/dbraw/zinc/46/71/10/409467110.db2.gz XAULTMMXOMHELH-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000332400224 409462376 /nfs/dbraw/zinc/46/23/76/409462376.db2.gz XXMXHMNPUVJILX-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@](O)(CNC(=O)CN1CSCC1=O)C[NH+]1CCOCC1 ZINC000332567210 409462417 /nfs/dbraw/zinc/46/24/17/409462417.db2.gz UEWCJODEGWGDDG-CYBMUJFWSA-N 1 1 317.411 -1.281 20 0 DAADMO C[N@H+]1CCCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000332329622 409462572 /nfs/dbraw/zinc/46/25/72/409462572.db2.gz NPASNSVRAFPBHE-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO CNS(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000351943138 409464822 /nfs/dbraw/zinc/46/48/22/409464822.db2.gz DWUVUCOPPGQHCV-UHFFFAOYSA-N 1 1 316.387 -1.467 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)S(C)(=O)=O ZINC000332732337 409465388 /nfs/dbraw/zinc/46/53/88/409465388.db2.gz SBDWLVNIGIZYHI-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO COC1CC([N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352185628 409465478 /nfs/dbraw/zinc/46/54/78/409465478.db2.gz DYLKBIBFTRJCBJ-UHFFFAOYSA-N 1 1 310.354 -1.042 20 0 DAADMO COC1CC([N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352185628 409465481 /nfs/dbraw/zinc/46/54/81/409465481.db2.gz DYLKBIBFTRJCBJ-UHFFFAOYSA-N 1 1 310.354 -1.042 20 0 DAADMO CN1CCN(CC(=O)NCC[NH+]2CCSCC2)CC1=O ZINC000333370697 409466034 /nfs/dbraw/zinc/46/60/34/409466034.db2.gz WEBAMEXMTIIUAY-UHFFFAOYSA-N 1 1 300.428 -1.075 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652886342 409472649 /nfs/dbraw/zinc/47/26/49/409472649.db2.gz FNWLFKZZVYFODC-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652886342 409472654 /nfs/dbraw/zinc/47/26/54/409472654.db2.gz FNWLFKZZVYFODC-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214462 409468660 /nfs/dbraw/zinc/46/86/60/409468660.db2.gz ZNFRSNLZGMYDDF-IUCAKERBSA-N 1 1 312.370 -1.060 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214462 409468665 /nfs/dbraw/zinc/46/86/65/409468665.db2.gz ZNFRSNLZGMYDDF-IUCAKERBSA-N 1 1 312.370 -1.060 20 0 DAADMO Cn1cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000352527245 409468976 /nfs/dbraw/zinc/46/89/76/409468976.db2.gz YERXBECBPSKVSN-ZDUSSCGKSA-N 1 1 307.398 -1.437 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333439960 409468984 /nfs/dbraw/zinc/46/89/84/409468984.db2.gz WGCJGVSZTAXIEU-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333439960 409468987 /nfs/dbraw/zinc/46/89/87/409468987.db2.gz WGCJGVSZTAXIEU-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333439962 409469094 /nfs/dbraw/zinc/46/90/94/409469094.db2.gz WGCJGVSZTAXIEU-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333439962 409469098 /nfs/dbraw/zinc/46/90/98/409469098.db2.gz WGCJGVSZTAXIEU-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CCOC[C@@H](O)CN1CC[N@@H+](C[C@H](O)COCC)CC(O)C1 ZINC000354791491 409479463 /nfs/dbraw/zinc/47/94/63/409479463.db2.gz NMVXPSICMGNQCE-GJZGRUSLSA-N 1 1 320.430 -1.240 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000355022307 409479923 /nfs/dbraw/zinc/47/99/23/409479923.db2.gz VTWNQPKFLKNKCZ-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367182435 409480895 /nfs/dbraw/zinc/48/08/95/409480895.db2.gz ADWZXLQIYYJYHE-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353204720 409474863 /nfs/dbraw/zinc/47/48/63/409474863.db2.gz NLXXALMEMGXGKI-UWVGGRQHSA-N 1 1 300.359 -1.715 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000353476252 409475497 /nfs/dbraw/zinc/47/54/97/409475497.db2.gz YVJXVFXHXOMDHO-JTQLQIEISA-N 1 1 304.306 -1.399 20 0 DAADMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@H]2C1 ZINC000355368473 409482717 /nfs/dbraw/zinc/48/27/17/409482717.db2.gz OWFQPYWFEROPMH-QWRGUYRKSA-N 1 1 320.415 -1.638 20 0 DAADMO NC(=O)C(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(N)=O ZINC000355512046 409483653 /nfs/dbraw/zinc/48/36/53/409483653.db2.gz MJBSRLNUPVATML-LLVKDONJSA-N 1 1 320.349 -1.657 20 0 DAADMO NC(=O)C(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(N)=O ZINC000355512046 409483659 /nfs/dbraw/zinc/48/36/59/409483659.db2.gz MJBSRLNUPVATML-LLVKDONJSA-N 1 1 320.349 -1.657 20 0 DAADMO CCOC[C@H](O)C[N@@H+]1CCN(C[C@H](O)COCC)C[C@@H](O)C1 ZINC000354791498 409481280 /nfs/dbraw/zinc/48/12/80/409481280.db2.gz NMVXPSICMGNQCE-QDMKHBRRSA-N 1 1 320.430 -1.240 20 0 DAADMO CCOC[C@H](O)CN1CC[N@H+](C[C@H](O)COCC)C[C@@H](O)C1 ZINC000354791498 409481285 /nfs/dbraw/zinc/48/12/85/409481285.db2.gz NMVXPSICMGNQCE-QDMKHBRRSA-N 1 1 320.430 -1.240 20 0 DAADMO CCOC[C@H](O)CN1CC[N@@H+](C[C@H](O)COCC)C[C@@H](O)C1 ZINC000354791498 409481290 /nfs/dbraw/zinc/48/12/90/409481290.db2.gz NMVXPSICMGNQCE-QDMKHBRRSA-N 1 1 320.430 -1.240 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000358441392 409496944 /nfs/dbraw/zinc/49/69/44/409496944.db2.gz JUMTVSDQZVOBCK-JTQLQIEISA-N 1 1 321.399 -1.239 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000357501375 409492102 /nfs/dbraw/zinc/49/21/02/409492102.db2.gz PMAKHMUFILNMBU-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000357501375 409492108 /nfs/dbraw/zinc/49/21/08/409492108.db2.gz PMAKHMUFILNMBU-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)Cn2cncn2)C1 ZINC000357479732 409492297 /nfs/dbraw/zinc/49/22/97/409492297.db2.gz SVRIPXIIENROTK-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357888995 409494052 /nfs/dbraw/zinc/49/40/52/409494052.db2.gz FVGQMAFDBVOEIK-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357888995 409494055 /nfs/dbraw/zinc/49/40/55/409494055.db2.gz FVGQMAFDBVOEIK-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000357582136 409494102 /nfs/dbraw/zinc/49/41/02/409494102.db2.gz TXQGGIUYKWKMKW-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000357586056 409494292 /nfs/dbraw/zinc/49/42/92/409494292.db2.gz ZABVIBPOZUWZOE-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cn2cncn2)C1 ZINC000357479734 409494668 /nfs/dbraw/zinc/49/46/68/409494668.db2.gz SVRIPXIIENROTK-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO O=C(NCCNc1cc[nH+]cc1)NCC(=O)N1CCNCC1 ZINC000515375547 409555988 /nfs/dbraw/zinc/55/59/88/409555988.db2.gz CTTNPLBNJUGAEF-UHFFFAOYSA-N 1 1 306.370 -1.354 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2CCO)c(=O)n(C)c1=O ZINC000426272658 409559557 /nfs/dbraw/zinc/55/95/57/409559557.db2.gz ZAPASYMFZGNOJZ-VIFPVBQESA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2CCO)c(=O)n(C)c1=O ZINC000426272658 409559565 /nfs/dbraw/zinc/55/95/65/409559565.db2.gz ZAPASYMFZGNOJZ-VIFPVBQESA-N 1 1 310.354 -1.304 20 0 DAADMO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430615787 409567454 /nfs/dbraw/zinc/56/74/54/409567454.db2.gz DCRDFJJVBISMCK-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430615787 409567459 /nfs/dbraw/zinc/56/74/59/409567459.db2.gz DCRDFJJVBISMCK-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)NCCN1CCNC(=O)C1 ZINC000358448876 409497624 /nfs/dbraw/zinc/49/76/24/409497624.db2.gz DHSJONHQRXPPSE-UHFFFAOYSA-N 1 1 315.418 -1.314 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358724281 409500484 /nfs/dbraw/zinc/50/04/84/409500484.db2.gz QRMHSXYDCCBNTD-UKRRQHHQSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724281 409500485 /nfs/dbraw/zinc/50/04/85/409500485.db2.gz QRMHSXYDCCBNTD-UKRRQHHQSA-N 1 1 313.446 -1.012 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000359511212 409503389 /nfs/dbraw/zinc/50/33/89/409503389.db2.gz VPENBKHLGAYTNH-VIFPVBQESA-N 1 1 307.372 -1.581 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCOCC1 ZINC001193577457 782012013 /nfs/dbraw/zinc/01/20/13/782012013.db2.gz TYEZMPXFFKHPSY-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000367357672 409506207 /nfs/dbraw/zinc/50/62/07/409506207.db2.gz CQHBSCHYXUJGGY-NSHDSACASA-N 1 1 309.370 -2.597 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000360906143 409507898 /nfs/dbraw/zinc/50/78/98/409507898.db2.gz IMIWHYAPODFJPF-LLVKDONJSA-N 1 1 308.404 -1.756 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000361200460 409508988 /nfs/dbraw/zinc/50/89/88/409508988.db2.gz IWMURXMZVUIPMM-RYUDHWBXSA-N 1 1 315.370 -1.285 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000361200460 409508991 /nfs/dbraw/zinc/50/89/91/409508991.db2.gz IWMURXMZVUIPMM-RYUDHWBXSA-N 1 1 315.370 -1.285 20 0 DAADMO CNS(=O)(=O)NC1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000361382299 409509595 /nfs/dbraw/zinc/50/95/95/409509595.db2.gz UPLWNYDRFKPPPE-ZDUSSCGKSA-N 1 1 320.459 -1.040 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000361557738 409510103 /nfs/dbraw/zinc/51/01/03/409510103.db2.gz SDDAOHQEPWPGHB-AWEZNQCLSA-N 1 1 323.353 -1.069 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000361557738 409510104 /nfs/dbraw/zinc/51/01/04/409510104.db2.gz SDDAOHQEPWPGHB-AWEZNQCLSA-N 1 1 323.353 -1.069 20 0 DAADMO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(=O)N(C)C ZINC000361413791 409510701 /nfs/dbraw/zinc/51/07/01/409510701.db2.gz FQLAFKPHWIQOBF-RISCZKNCSA-N 1 1 316.402 -1.155 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000361589663 409511011 /nfs/dbraw/zinc/51/10/11/409511011.db2.gz QOUUHNASWAKNGC-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1CO ZINC000362056711 409511233 /nfs/dbraw/zinc/51/12/33/409511233.db2.gz PQVAXDZAMOBTFH-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO CS(=O)(=O)NCC[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000361378589 409511309 /nfs/dbraw/zinc/51/13/09/409511309.db2.gz RZEYEQBYLXFBSJ-CYBMUJFWSA-N 1 1 321.443 -1.307 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000361378589 409511310 /nfs/dbraw/zinc/51/13/10/409511310.db2.gz RZEYEQBYLXFBSJ-CYBMUJFWSA-N 1 1 321.443 -1.307 20 0 DAADMO CS(=O)(=O)NCC[N@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000361390122 409511378 /nfs/dbraw/zinc/51/13/78/409511378.db2.gz LHJCTBXJLNDELW-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000361390122 409511379 /nfs/dbraw/zinc/51/13/79/409511379.db2.gz LHJCTBXJLNDELW-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371028695 409512604 /nfs/dbraw/zinc/51/26/04/409512604.db2.gz RJLYQQADDYSOIK-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO Cn1c2ncn(CCN3CC[C@@H](C[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430922141 409568120 /nfs/dbraw/zinc/56/81/20/409568120.db2.gz XPOHQRSAFVEIFP-JTQLQIEISA-N 1 1 306.370 -1.286 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430621230 409568372 /nfs/dbraw/zinc/56/83/72/409568372.db2.gz CLJKZDAWGPUXSE-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430621230 409568380 /nfs/dbraw/zinc/56/83/80/409568380.db2.gz CLJKZDAWGPUXSE-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370750293 409513146 /nfs/dbraw/zinc/51/31/46/409513146.db2.gz PFWFRQCLXMCOGB-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(NCCN1CCCS1(=O)=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372840485 409513550 /nfs/dbraw/zinc/51/35/50/409513550.db2.gz KNYCVCZFFKZQIE-LBPRGKRZSA-N 1 1 316.427 -1.472 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000372558238 409515467 /nfs/dbraw/zinc/51/54/67/409515467.db2.gz RZQJYIHMQJEQQI-SKDRFNHKSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000372558238 409515472 /nfs/dbraw/zinc/51/54/72/409515472.db2.gz RZQJYIHMQJEQQI-SKDRFNHKSA-N 1 1 302.327 -1.336 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@H](O)C4(CC4)C3)c2c(=O)n(C)c1=O ZINC000372299707 409516525 /nfs/dbraw/zinc/51/65/25/409516525.db2.gz CAEOAJWHFSAPCQ-JTQLQIEISA-N 1 1 319.365 -1.110 20 0 DAADMO Cn1cnn(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1=O ZINC000373122321 409517036 /nfs/dbraw/zinc/51/70/36/409517036.db2.gz FIDXZAPZFBXWGL-ZDUSSCGKSA-N 1 1 322.413 -1.180 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)S(N)(=O)=O ZINC000645621298 409523932 /nfs/dbraw/zinc/52/39/32/409523932.db2.gz JVMVVBLXAZKROM-KXUCPTDWSA-N 1 1 318.399 -2.058 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000378185033 409527155 /nfs/dbraw/zinc/52/71/55/409527155.db2.gz WNVOPJZOYRYTMV-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000653034757 409528563 /nfs/dbraw/zinc/52/85/63/409528563.db2.gz ZTJFKQPRTJEBCM-SNVBAGLBSA-N 1 1 318.399 -2.042 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000367045398 409538178 /nfs/dbraw/zinc/53/81/78/409538178.db2.gz LETGIVXVWIBFOS-UONOGXRCSA-N 1 1 310.398 -1.260 20 0 DAADMO CC1(C)COCCN1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420151372 409539651 /nfs/dbraw/zinc/53/96/51/409539651.db2.gz MXVMPLSIUOKCCT-UHFFFAOYSA-N 1 1 322.356 -1.076 20 0 DAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000420163155 409540109 /nfs/dbraw/zinc/54/01/09/409540109.db2.gz DUOAOBOGGKTACX-MRVPVSSYSA-N 1 1 323.296 -1.513 20 0 DAADMO O=C(c1ccon1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000514937003 409550847 /nfs/dbraw/zinc/55/08/47/409550847.db2.gz BTSYHEYDPIGBSN-UHFFFAOYSA-N 1 1 300.340 -1.266 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000496618328 409619821 /nfs/dbraw/zinc/61/98/21/409619821.db2.gz ZJIDHMXDEHZYLH-VXGBXAGGSA-N 1 1 315.370 -1.021 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000496618328 409619828 /nfs/dbraw/zinc/61/98/28/409619828.db2.gz ZJIDHMXDEHZYLH-VXGBXAGGSA-N 1 1 315.370 -1.021 20 0 DAADMO CN1C[C@@H](C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)OC1=O ZINC000496420621 409621125 /nfs/dbraw/zinc/62/11/25/409621125.db2.gz UGRKOASAOIAOJT-ZJUUUORDSA-N 1 1 306.388 -1.058 20 0 DAADMO Cn1cnn(CC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1=O ZINC000646439595 409624354 /nfs/dbraw/zinc/62/43/54/409624354.db2.gz HTPAZQFAGMRUDK-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)S1(=O)=O ZINC000648918219 409641547 /nfs/dbraw/zinc/64/15/47/409641547.db2.gz OHQHINSQVQECDN-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653825649 409632400 /nfs/dbraw/zinc/63/24/00/409632400.db2.gz DSGGTASRUBVZKH-YIYPIFLZSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653825648 409635265 /nfs/dbraw/zinc/63/52/65/409635265.db2.gz DSGGTASRUBVZKH-XDQVBPFNSA-N 1 1 324.425 -1.150 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC(=O)NC[C@H]1C(=O)OC ZINC000517038241 409635343 /nfs/dbraw/zinc/63/53/43/409635343.db2.gz PLBOZIBWBZFMDJ-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO C[C@](O)(CNC(=O)NC[C@H]1COCCO1)C[NH+]1CCOCC1 ZINC000524781860 409637963 /nfs/dbraw/zinc/63/79/63/409637963.db2.gz URHMHFGEEJEKAR-JSGCOSHPSA-N 1 1 317.386 -1.216 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648775386 409638337 /nfs/dbraw/zinc/63/83/37/409638337.db2.gz KHBWTDAWXJDGNY-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000372022427 409638453 /nfs/dbraw/zinc/63/84/53/409638453.db2.gz USZWTHDLPFDMBM-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000523649124 409639039 /nfs/dbraw/zinc/63/90/39/409639039.db2.gz RNNILEWTAKGQQU-AWEZNQCLSA-N 1 1 324.425 -1.059 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434988047 409573632 /nfs/dbraw/zinc/57/36/32/409573632.db2.gz QGTYALGOGHOQMM-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)N1CCNC(=O)C1 ZINC000434704522 409574949 /nfs/dbraw/zinc/57/49/49/409574949.db2.gz YFYNEVHOFGGIDI-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)N1CCNC(=O)C1 ZINC000434704522 409574954 /nfs/dbraw/zinc/57/49/54/409574954.db2.gz YFYNEVHOFGGIDI-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434988553 409575540 /nfs/dbraw/zinc/57/55/40/409575540.db2.gz UFHVCMPFBJPYPH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434988553 409575548 /nfs/dbraw/zinc/57/55/48/409575548.db2.gz UFHVCMPFBJPYPH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435004338 409575646 /nfs/dbraw/zinc/57/56/46/409575646.db2.gz RXCWMGVZZQDNCD-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435004338 409575654 /nfs/dbraw/zinc/57/56/54/409575654.db2.gz RXCWMGVZZQDNCD-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H](O)CN1CCOCC1 ZINC000435538648 409576022 /nfs/dbraw/zinc/57/60/22/409576022.db2.gz XSLBJYHXAQIHEE-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H](O)CN1CCOCC1 ZINC000435538648 409576027 /nfs/dbraw/zinc/57/60/27/409576027.db2.gz XSLBJYHXAQIHEE-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000524569735 409639920 /nfs/dbraw/zinc/63/99/20/409639920.db2.gz WXTCEOTYSWXGQG-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCCC[N@@H+](C)CCOC ZINC000439052571 409580919 /nfs/dbraw/zinc/58/09/19/409580919.db2.gz DWDONMLFVZCYSZ-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000440335860 409581994 /nfs/dbraw/zinc/58/19/94/409581994.db2.gz GRVINUWFNXRHGA-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000440335860 409582002 /nfs/dbraw/zinc/58/20/02/409582002.db2.gz GRVINUWFNXRHGA-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)S(N)(=O)=O ZINC000439348965 409582585 /nfs/dbraw/zinc/58/25/85/409582585.db2.gz LOISDLPDLPGQNV-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000439070989 409582661 /nfs/dbraw/zinc/58/26/61/409582661.db2.gz OAYHNMOHIWAGJO-SNVBAGLBSA-N 1 1 308.404 -1.445 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@](C)(CC)C(N)=O)c(=O)[nH]c1=O ZINC000440554375 409584760 /nfs/dbraw/zinc/58/47/60/409584760.db2.gz DASQOONCLDYAGD-CYBMUJFWSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000447657976 409592519 /nfs/dbraw/zinc/59/25/19/409592519.db2.gz XXTUPUOWDUNYGO-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000447657976 409592525 /nfs/dbraw/zinc/59/25/25/409592525.db2.gz XXTUPUOWDUNYGO-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000447263694 409593926 /nfs/dbraw/zinc/59/39/26/409593926.db2.gz KFWNESKAIJGCNG-CUZDEVPKSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000447263694 409593934 /nfs/dbraw/zinc/59/39/34/409593934.db2.gz KFWNESKAIJGCNG-CUZDEVPKSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000447263694 409593943 /nfs/dbraw/zinc/59/39/43/409593943.db2.gz KFWNESKAIJGCNG-CUZDEVPKSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000447263694 409593951 /nfs/dbraw/zinc/59/39/51/409593951.db2.gz KFWNESKAIJGCNG-CUZDEVPKSA-N 1 1 318.414 -1.490 20 0 DAADMO CC(=O)NCC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000646045847 409601748 /nfs/dbraw/zinc/60/17/48/409601748.db2.gz ARSDUSULQKWPPU-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCNCC3=O)CC2)C1 ZINC000646003183 409602544 /nfs/dbraw/zinc/60/25/44/409602544.db2.gz VUAYBMLNDKXQSW-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646025235 409602679 /nfs/dbraw/zinc/60/26/79/409602679.db2.gz NHZDVLIJQYUWPH-QWHCGFSZSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646025235 409602690 /nfs/dbraw/zinc/60/26/90/409602690.db2.gz NHZDVLIJQYUWPH-QWHCGFSZSA-N 1 1 307.350 -1.150 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000646118720 409604109 /nfs/dbraw/zinc/60/41/09/409604109.db2.gz ALTKVSVYFWNLBY-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[NH+](CCO)CCO)CC1 ZINC000492026752 409606782 /nfs/dbraw/zinc/60/67/82/409606782.db2.gz VOLOFSHHEFANSM-UHFFFAOYSA-N 1 1 303.359 -1.426 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000494851977 409612460 /nfs/dbraw/zinc/61/24/60/409612460.db2.gz WBGYUCMLZLUGTR-UHFFFAOYSA-N 1 1 309.436 -1.960 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCN(C)CC[NH+](C)C ZINC000494851977 409612468 /nfs/dbraw/zinc/61/24/68/409612468.db2.gz WBGYUCMLZLUGTR-UHFFFAOYSA-N 1 1 309.436 -1.960 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000494483788 409612718 /nfs/dbraw/zinc/61/27/18/409612718.db2.gz FHSBEHMDLPKNDM-QMMMGPOBSA-N 1 1 308.360 -1.066 20 0 DAADMO C[N@@H+](CCCOC(=O)NC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000494379532 409613111 /nfs/dbraw/zinc/61/31/11/409613111.db2.gz BAXFSIRIDSFGHF-LLVKDONJSA-N 1 1 318.374 -1.194 20 0 DAADMO CN1CC(=O)N(CC[N@@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000659827326 409701939 /nfs/dbraw/zinc/70/19/39/409701939.db2.gz SVDDCZNRFSEMOM-UHFFFAOYSA-N 1 1 318.399 -1.152 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2CCCN(S(C)(=O)=O)CC2)C1=O ZINC000659827326 409701944 /nfs/dbraw/zinc/70/19/44/409701944.db2.gz SVDDCZNRFSEMOM-UHFFFAOYSA-N 1 1 318.399 -1.152 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000659843612 409702557 /nfs/dbraw/zinc/70/25/57/409702557.db2.gz AFMQLWNBBCUJKL-LBPRGKRZSA-N 1 1 308.382 -1.111 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H](C)[C@H]1O ZINC000661620169 409705272 /nfs/dbraw/zinc/70/52/72/409705272.db2.gz DGAJMTONECKPQJ-GDGBQDQQSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H](C)[C@H]1O ZINC000661620169 409705278 /nfs/dbraw/zinc/70/52/78/409705278.db2.gz DGAJMTONECKPQJ-GDGBQDQQSA-N 1 1 324.381 -1.202 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000660912817 409705970 /nfs/dbraw/zinc/70/59/70/409705970.db2.gz KXSINBKMLSWVHS-NWDGAFQWSA-N 1 1 319.427 -1.496 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC[C@@]4(O)C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000661719556 409706630 /nfs/dbraw/zinc/70/66/30/409706630.db2.gz VIZNKDKZCBAEAE-ZUZCIYMTSA-N 1 1 319.365 -1.110 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662075571 409708012 /nfs/dbraw/zinc/70/80/12/409708012.db2.gz DLAXCGYCZYMPOK-UHFFFAOYSA-N 1 1 324.425 -1.059 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000661881979 409708123 /nfs/dbraw/zinc/70/81/23/409708123.db2.gz LMFCNMPFMVLYKT-XQHKEYJVSA-N 1 1 315.395 -1.012 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000661881979 409708130 /nfs/dbraw/zinc/70/81/30/409708130.db2.gz LMFCNMPFMVLYKT-XQHKEYJVSA-N 1 1 315.395 -1.012 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)S1(=O)=O ZINC000648918263 409643606 /nfs/dbraw/zinc/64/36/06/409643606.db2.gz QGXVAPIVSGPMTI-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)S1(=O)=O ZINC000648918518 409644774 /nfs/dbraw/zinc/64/47/74/409644774.db2.gz ZHQUZKZEJPOTIW-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2COCCN2)C1 ZINC000529387725 409647792 /nfs/dbraw/zinc/64/77/92/409647792.db2.gz LWLGOTHEHCRZGG-NWDGAFQWSA-N 1 1 313.402 -1.529 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)NC)C2)C1 ZINC000529739437 409648605 /nfs/dbraw/zinc/64/86/05/409648605.db2.gz MZHMXESIQHCIOR-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)NC)C2)C1 ZINC000529739437 409648610 /nfs/dbraw/zinc/64/86/10/409648610.db2.gz MZHMXESIQHCIOR-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000529736646 409649611 /nfs/dbraw/zinc/64/96/11/409649611.db2.gz DEXMKBMZAKXKTB-MNOVXSKESA-N 1 1 300.359 -1.527 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000529736646 409649620 /nfs/dbraw/zinc/64/96/20/409649620.db2.gz DEXMKBMZAKXKTB-MNOVXSKESA-N 1 1 300.359 -1.527 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000649219632 409654471 /nfs/dbraw/zinc/65/44/71/409654471.db2.gz RQZPFBNYUPHVEG-GHMZBOCLSA-N 1 1 304.416 -1.065 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@]1(C)CO ZINC000662150952 409710945 /nfs/dbraw/zinc/71/09/45/409710945.db2.gz UBRYEAGRMVHLTC-BJOHPYRUSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@]1(C)CO ZINC000662150952 409710951 /nfs/dbraw/zinc/71/09/51/409710951.db2.gz UBRYEAGRMVHLTC-BJOHPYRUSA-N 1 1 324.381 -1.201 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N(CCO)C2CC2)CC[N@@H+]1CCO ZINC000658438444 409658208 /nfs/dbraw/zinc/65/82/08/409658208.db2.gz SJOHKVJYMKRBNF-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N(CCO)C2CC2)CC[N@H+]1CCO ZINC000658438444 409658214 /nfs/dbraw/zinc/65/82/14/409658214.db2.gz SJOHKVJYMKRBNF-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO CO[C@](C)(CO)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000654372875 409664283 /nfs/dbraw/zinc/66/42/83/409664283.db2.gz VCXDLPCNBRAGPQ-AWEZNQCLSA-N 1 1 316.402 -1.153 20 0 DAADMO CC(=O)N1CCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000405320657 409665571 /nfs/dbraw/zinc/66/55/71/409665571.db2.gz UOXULJHDCDZTCP-UONOGXRCSA-N 1 1 310.398 -1.572 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(=O)n1C ZINC000654781968 409665920 /nfs/dbraw/zinc/66/59/20/409665920.db2.gz BDMLMUUGIJGURB-LBPRGKRZSA-N 1 1 324.429 -1.110 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654540464 409666318 /nfs/dbraw/zinc/66/63/18/409666318.db2.gz YMVGRTLUDWHGLL-VHSXEESVSA-N 1 1 306.388 -2.004 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000654599001 409667849 /nfs/dbraw/zinc/66/78/49/409667849.db2.gz NAYHUGXPRJXMAK-HBNTYKKESA-N 1 1 310.354 -1.406 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(=O)n1C ZINC000655130263 409672129 /nfs/dbraw/zinc/67/21/29/409672129.db2.gz UTUPKRYWKOTEQU-PHIMTYICSA-N 1 1 311.386 -1.196 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(=O)n1C ZINC000655150079 409674033 /nfs/dbraw/zinc/67/40/33/409674033.db2.gz PLVFSOZZMQBORO-WDEREUQCSA-N 1 1 311.386 -1.196 20 0 DAADMO Cn1nncc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000656999448 409678073 /nfs/dbraw/zinc/67/80/73/409678073.db2.gz PAUOGWFRDXJUMN-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1nncc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000656999448 409678081 /nfs/dbraw/zinc/67/80/81/409678081.db2.gz PAUOGWFRDXJUMN-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000659697890 409690224 /nfs/dbraw/zinc/69/02/24/409690224.db2.gz GLWGKJMUXCKGBX-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCNCC2)CCO1 ZINC000662948257 409723246 /nfs/dbraw/zinc/72/32/46/409723246.db2.gz UZCAMMIXCJALPQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC000664581831 409731757 /nfs/dbraw/zinc/73/17/57/409731757.db2.gz YSYLARMMQMCCIM-DCAQKATOSA-N 1 1 305.400 -1.120 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000665019527 409735100 /nfs/dbraw/zinc/73/51/00/409735100.db2.gz ZXPWPWRVYWUKEF-UHFFFAOYSA-N 1 1 319.431 -1.128 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000665017650 409735560 /nfs/dbraw/zinc/73/55/60/409735560.db2.gz QCJRPXRNWAIEMJ-SNVBAGLBSA-N 1 1 307.420 -1.224 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)NCCNS(=O)(=O)N(C)C ZINC000665016113 409735792 /nfs/dbraw/zinc/73/57/92/409735792.db2.gz UJNZSSRWFWAXDN-UHFFFAOYSA-N 1 1 318.403 -1.113 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000665015325 409736488 /nfs/dbraw/zinc/73/64/88/409736488.db2.gz XMWUTYPTICLHJV-JTQLQIEISA-N 1 1 319.431 -1.082 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCOCCS(N)(=O)=O)C[C@@H]21 ZINC000665105804 409738815 /nfs/dbraw/zinc/73/88/15/409738815.db2.gz DKKKVDKVYWNNBD-MNOVXSKESA-N 1 1 320.415 -1.363 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCNC2=O)CC1 ZINC000665335123 409748548 /nfs/dbraw/zinc/74/85/48/409748548.db2.gz JGUOLAQNZFSDMX-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCNC2=O)CC1 ZINC000665335664 409749737 /nfs/dbraw/zinc/74/97/37/409749737.db2.gz YPXCLGDNWCGSBK-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(=O)NC)nn2)CC1 ZINC000348180803 409750140 /nfs/dbraw/zinc/75/01/40/409750140.db2.gz MGFWWHUCSLLDKW-UHFFFAOYSA-N 1 1 306.370 -0.542 20 0 DAADMO CNC(=O)c1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)nn1 ZINC000348182611 409753254 /nfs/dbraw/zinc/75/32/54/409753254.db2.gz RMRQDGYEZZHXIU-CQSZACIVSA-N 1 1 309.370 -0.669 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000665379010 409754699 /nfs/dbraw/zinc/75/46/99/409754699.db2.gz FIQGZPVAQWEIHC-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO CNC(=O)c1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)nn1 ZINC000348182610 409754934 /nfs/dbraw/zinc/75/49/34/409754934.db2.gz RMRQDGYEZZHXIU-AWEZNQCLSA-N 1 1 309.370 -0.669 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000665379009 409755378 /nfs/dbraw/zinc/75/53/78/409755378.db2.gz FIQGZPVAQWEIHC-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cncc(OC)n1 ZINC000578198278 409770026 /nfs/dbraw/zinc/77/00/26/409770026.db2.gz MPGXVOSJBGMAEI-UHFFFAOYSA-N 1 1 311.342 -0.882 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cncc(OC)n2)C1 ZINC000563252108 409770947 /nfs/dbraw/zinc/77/09/47/409770947.db2.gz ZVQCAHPWMIMKRJ-SNVBAGLBSA-N 1 1 323.353 -0.739 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(C)n2)C1 ZINC000331277366 409771945 /nfs/dbraw/zinc/77/19/45/409771945.db2.gz YOLCNDNDNSLJQT-LLVKDONJSA-N 1 1 309.370 -0.496 20 0 DAADMO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(O)CNC2)c1 ZINC000662698065 409713226 /nfs/dbraw/zinc/71/32/26/409713226.db2.gz HAKJNGQBNRYQQQ-UHFFFAOYSA-N 1 1 320.393 -1.072 20 0 DAADMO O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1(n2cnnn2)CC1 ZINC000662765641 409717935 /nfs/dbraw/zinc/71/79/35/409717935.db2.gz CISLAEMPXKDYGK-LLVKDONJSA-N 1 1 319.369 -1.415 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1c(N)noc1C ZINC000592388375 409802168 /nfs/dbraw/zinc/80/21/68/409802168.db2.gz JASRHQGWQGBPMG-MRVPVSSYSA-N 1 1 318.355 -0.909 20 0 DAADMO Cn1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000371402162 409802921 /nfs/dbraw/zinc/80/29/21/409802921.db2.gz VEVKEGBNCBLMSQ-RYUDHWBXSA-N 1 1 321.381 -0.584 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC000579251353 409803140 /nfs/dbraw/zinc/80/31/40/409803140.db2.gz LZKQNSGWYUZXIA-UHFFFAOYSA-N 1 1 309.374 -1.028 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC000579251353 409803144 /nfs/dbraw/zinc/80/31/44/409803144.db2.gz LZKQNSGWYUZXIA-UHFFFAOYSA-N 1 1 309.374 -1.028 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC000569014492 409803699 /nfs/dbraw/zinc/80/36/99/409803699.db2.gz UIPBQHANYKNGLG-JTQLQIEISA-N 1 1 323.401 -0.904 20 0 DAADMO Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000581677711 409810156 /nfs/dbraw/zinc/81/01/56/409810156.db2.gz LALHJFWNKQEMKJ-NXEZZACHSA-N 1 1 314.353 -1.007 20 0 DAADMO Nc1nc(C(=O)NCC[NH+]2CCC2)nc(N2CCOCC2)n1 ZINC000565077340 409810520 /nfs/dbraw/zinc/81/05/20/409810520.db2.gz QWRDYFUCGNYNRF-UHFFFAOYSA-N 1 1 307.358 -1.274 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H]2NCN[C@@H]21 ZINC001193700206 782014271 /nfs/dbraw/zinc/01/42/71/782014271.db2.gz KMEFZVJRMQKRNX-UTUOFQBUSA-N 1 1 315.341 -2.205 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193778748 782015212 /nfs/dbraw/zinc/01/52/12/782015212.db2.gz YOFXCBNNADSQQK-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193778748 782015219 /nfs/dbraw/zinc/01/52/19/782015219.db2.gz YOFXCBNNADSQQK-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193866569 782017152 /nfs/dbraw/zinc/01/71/52/782017152.db2.gz LIXYJJKLSUWPSZ-LOWDOPEQSA-N 1 1 318.370 -2.040 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193866569 782017158 /nfs/dbraw/zinc/01/71/58/782017158.db2.gz LIXYJJKLSUWPSZ-LOWDOPEQSA-N 1 1 318.370 -2.040 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875322 782017324 /nfs/dbraw/zinc/01/73/24/782017324.db2.gz OHGDVTRYOQMIPW-VXGBXAGGSA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)ccc1=O ZINC001193865848 782017697 /nfs/dbraw/zinc/01/76/97/782017697.db2.gz SCLSSOQZCIAEFR-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788184 782016726 /nfs/dbraw/zinc/01/67/26/782016726.db2.gz XRFCNHJRGGIROT-ZJUUUORDSA-N 1 1 320.415 -1.716 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821101 782018556 /nfs/dbraw/zinc/01/85/56/782018556.db2.gz DNJDMFRLVVGIEU-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O)C1CCC1 ZINC001193821582 782018649 /nfs/dbraw/zinc/01/86/49/782018649.db2.gz OHGKDRXHDWGVMM-ZIAGYGMSSA-N 1 1 324.425 -1.089 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001193850519 782017991 /nfs/dbraw/zinc/01/79/91/782017991.db2.gz YRZQKHLFLFEWHC-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001193829107 782019548 /nfs/dbraw/zinc/01/95/48/782019548.db2.gz WHJNCDNHDJKAFO-MGPQQGTHSA-N 1 1 324.425 -1.137 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941458 782020323 /nfs/dbraw/zinc/02/03/23/782020323.db2.gz SKHNQERGOXZVAF-OPRDCNLKSA-N 1 1 303.359 -2.334 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CC(=O)OC)CC(=O)OC)C1 ZINC000363167015 262599455 /nfs/dbraw/zinc/59/94/55/262599455.db2.gz BTCVYPVPKOVHHB-JTQLQIEISA-N 1 1 302.327 -1.118 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CC(=O)OC)CC(=O)OC)C1 ZINC000363167015 262599457 /nfs/dbraw/zinc/59/94/57/262599457.db2.gz BTCVYPVPKOVHHB-JTQLQIEISA-N 1 1 302.327 -1.118 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193935233 782021176 /nfs/dbraw/zinc/02/11/76/782021176.db2.gz ZJUIWGJFVQQJSP-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193935233 782021167 /nfs/dbraw/zinc/02/11/67/782021167.db2.gz ZJUIWGJFVQQJSP-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCNC(N)=O)C1)[C@H]1CCCNC1=O ZINC001193922066 782022423 /nfs/dbraw/zinc/02/24/23/782022423.db2.gz PZQDXQLQQIHHRD-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000673854866 545866020 /nfs/dbraw/zinc/86/60/20/545866020.db2.gz BMRVSDZROLGDSJ-LLVKDONJSA-N 1 1 319.427 -1.101 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000674133669 545868452 /nfs/dbraw/zinc/86/84/52/545868452.db2.gz WPVXNTOIGKCAOD-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000674563884 545869194 /nfs/dbraw/zinc/86/91/94/545869194.db2.gz KKFUHGHCHMXMCF-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000674563884 545869197 /nfs/dbraw/zinc/86/91/97/545869197.db2.gz KKFUHGHCHMXMCF-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676290172 545872370 /nfs/dbraw/zinc/87/23/70/545872370.db2.gz NAOUKXODZDYGTE-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676290172 545872371 /nfs/dbraw/zinc/87/23/71/545872371.db2.gz NAOUKXODZDYGTE-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000678529064 545877476 /nfs/dbraw/zinc/87/74/76/545877476.db2.gz HPBQHNAWUJMKPN-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000678529064 545877485 /nfs/dbraw/zinc/87/74/85/545877485.db2.gz HPBQHNAWUJMKPN-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000679637062 545880485 /nfs/dbraw/zinc/88/04/85/545880485.db2.gz HDRNBNRDMGJVOZ-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000679762742 545882003 /nfs/dbraw/zinc/88/20/03/545882003.db2.gz HTLKMYPTZGAFRR-UTUOFQBUSA-N 1 1 314.386 -1.138 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000679762742 545882007 /nfs/dbraw/zinc/88/20/07/545882007.db2.gz HTLKMYPTZGAFRR-UTUOFQBUSA-N 1 1 314.386 -1.138 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC000679790007 545882018 /nfs/dbraw/zinc/88/20/18/545882018.db2.gz BSBSYQFLQHJGIC-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CN(CCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)S(C)(=O)=O ZINC000680832523 545883860 /nfs/dbraw/zinc/88/38/60/545883860.db2.gz FLJYNHOAESXRPM-GFCCVEGCSA-N 1 1 322.431 -1.366 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000680834891 545883883 /nfs/dbraw/zinc/88/38/83/545883883.db2.gz RAEHEGUXXXAQJO-LBPRGKRZSA-N 1 1 322.431 -1.320 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682098143 545886569 /nfs/dbraw/zinc/88/65/69/545886569.db2.gz JVBRQOJDIWLNJB-UHFFFAOYSA-N 1 1 314.386 -1.894 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682098143 545886573 /nfs/dbraw/zinc/88/65/73/545886573.db2.gz JVBRQOJDIWLNJB-UHFFFAOYSA-N 1 1 314.386 -1.894 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001194009974 782024635 /nfs/dbraw/zinc/02/46/35/782024635.db2.gz FWWMTGPZUSSXLO-IJLUTSLNSA-N 1 1 312.370 -1.521 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193989528 782024883 /nfs/dbraw/zinc/02/48/83/782024883.db2.gz ZVXXBLCSWXHLLZ-VXGBXAGGSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(C)(C)c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001194013828 782024923 /nfs/dbraw/zinc/02/49/23/782024923.db2.gz NXIRCHIADNDVDC-OUAUKWLOSA-N 1 1 305.386 -1.093 20 0 DAADMO COC[C@@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001273668619 782025671 /nfs/dbraw/zinc/02/56/71/782025671.db2.gz FMRUKLGZTZTUAB-VHSXEESVSA-N 1 1 301.343 -2.171 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060593 782025927 /nfs/dbraw/zinc/02/59/27/782025927.db2.gz MWMDKODSEZPGMP-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060415 782026521 /nfs/dbraw/zinc/02/65/21/782026521.db2.gz LUSOYZIHFIQQFY-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060415 782026528 /nfs/dbraw/zinc/02/65/28/782026528.db2.gz LUSOYZIHFIQQFY-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001194088460 782027336 /nfs/dbraw/zinc/02/73/36/782027336.db2.gz SPMOXPCEBRVPNQ-RDBSUJKOSA-N 1 1 318.381 -1.545 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194031710 782027426 /nfs/dbraw/zinc/02/74/26/782027426.db2.gz LFQYNJVEAUSJQN-CHWSQXEVSA-N 1 1 312.370 -1.520 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001194118827 782027210 /nfs/dbraw/zinc/02/72/10/782027210.db2.gz JNFYYKVBEWIYOE-HZSPNIEDSA-N 1 1 315.414 -1.359 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001194089528 782028320 /nfs/dbraw/zinc/02/83/20/782028320.db2.gz JMRXCUQSPAGGJA-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089541 782028167 /nfs/dbraw/zinc/02/81/67/782028167.db2.gz JTNZQYYQAGATRO-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089543 782028804 /nfs/dbraw/zinc/02/88/04/782028804.db2.gz JTNZQYYQAGATRO-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001194089522 782028854 /nfs/dbraw/zinc/02/88/54/782028854.db2.gz JMRXCUQSPAGGJA-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194152037 782029026 /nfs/dbraw/zinc/02/90/26/782029026.db2.gz OMJSQGSOFRNPHT-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001194090356 782029132 /nfs/dbraw/zinc/02/91/32/782029132.db2.gz ZZNYDUGWYYOSDH-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194461156 782036757 /nfs/dbraw/zinc/03/67/57/782036757.db2.gz WIFCJWPTDDOQLX-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237818 782031461 /nfs/dbraw/zinc/03/14/61/782031461.db2.gz DQNHSTCMFHGONN-JTQLQIEISA-N 1 1 323.357 -2.588 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237818 782031466 /nfs/dbraw/zinc/03/14/66/782031466.db2.gz DQNHSTCMFHGONN-JTQLQIEISA-N 1 1 323.357 -2.588 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255542 782031830 /nfs/dbraw/zinc/03/18/30/782031830.db2.gz ICXSTGUSYXYQAZ-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194307397 782031904 /nfs/dbraw/zinc/03/19/04/782031904.db2.gz ZQHMOSWXGFMCQP-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194307397 782031909 /nfs/dbraw/zinc/03/19/09/782031909.db2.gz ZQHMOSWXGFMCQP-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255541 782032014 /nfs/dbraw/zinc/03/20/14/782032014.db2.gz ICXSTGUSYXYQAZ-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001194266333 782032276 /nfs/dbraw/zinc/03/22/76/782032276.db2.gz OYCNBDAKOVOLGP-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001194266333 782032287 /nfs/dbraw/zinc/03/22/87/782032287.db2.gz OYCNBDAKOVOLGP-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001194265248 782032715 /nfs/dbraw/zinc/03/27/15/782032715.db2.gz OHYIXDFFUFYQLD-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238822 782033146 /nfs/dbraw/zinc/03/31/46/782033146.db2.gz QUJJIOZPBMLAHA-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001194254584 782033452 /nfs/dbraw/zinc/03/34/52/782033452.db2.gz BRFHLCXTWJTMTG-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001194254584 782033460 /nfs/dbraw/zinc/03/34/60/782033460.db2.gz BRFHLCXTWJTMTG-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001194376154 782034571 /nfs/dbraw/zinc/03/45/71/782034571.db2.gz RNOJQHUNMLFOFV-OASPWFOLSA-N 1 1 312.370 -1.246 20 0 DAADMO O=C(CCOC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194351984 782035876 /nfs/dbraw/zinc/03/58/76/782035876.db2.gz HAGGVJIGMPNCMU-YNEHKIRRSA-N 1 1 302.371 -1.274 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001194399857 782037074 /nfs/dbraw/zinc/03/70/74/782037074.db2.gz VUIBBBWUFJURAC-OASPWFOLSA-N 1 1 324.381 -1.035 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194461157 782037619 /nfs/dbraw/zinc/03/76/19/782037619.db2.gz WIFCJWPTDDOQLX-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177999695 262485815 /nfs/dbraw/zinc/48/58/15/262485815.db2.gz VCEGWCHESWTBEC-RMLUDKJBSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@](C)(O)C1 ZINC000177999695 262485819 /nfs/dbraw/zinc/48/58/19/262485819.db2.gz VCEGWCHESWTBEC-RMLUDKJBSA-N 1 1 310.354 -1.306 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187657810 262487543 /nfs/dbraw/zinc/48/75/43/262487543.db2.gz LVGLVXWFAMAFQC-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187657810 262487546 /nfs/dbraw/zinc/48/75/46/262487546.db2.gz LVGLVXWFAMAFQC-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000330643105 262507516 /nfs/dbraw/zinc/50/75/16/262507516.db2.gz XTKQYLWWYUDKIE-VIFPVBQESA-N 1 1 304.372 -1.244 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000330643105 262507517 /nfs/dbraw/zinc/50/75/17/262507517.db2.gz XTKQYLWWYUDKIE-VIFPVBQESA-N 1 1 304.372 -1.244 20 0 DAADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000331644209 262514056 /nfs/dbraw/zinc/51/40/56/262514056.db2.gz JCZCUGUPBWMQAF-KBPBESRZSA-N 1 1 324.425 -1.061 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345523286 262534851 /nfs/dbraw/zinc/53/48/51/262534851.db2.gz URERWXZDNSAVLD-MNOVXSKESA-N 1 1 302.375 -1.511 20 0 DAADMO CC(C)C[C@H](CNC(=O)[C@@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345544944 262535844 /nfs/dbraw/zinc/53/58/44/262535844.db2.gz ZKELFMXIJJBFBQ-VXGBXAGGSA-N 1 1 316.402 -1.121 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCSC1 ZINC000346760284 262540860 /nfs/dbraw/zinc/54/08/60/262540860.db2.gz CIPMWAAEHLFRGB-WDEREUQCSA-N 1 1 300.428 -1.030 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000377476409 262613207 /nfs/dbraw/zinc/61/32/07/262613207.db2.gz YLSCJQIDIVIRRG-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1CCO ZINC000428164019 262623732 /nfs/dbraw/zinc/62/37/32/262623732.db2.gz IFBURGRQZUHFHH-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@H+]1CCO ZINC000428164019 262623734 /nfs/dbraw/zinc/62/37/34/262623734.db2.gz IFBURGRQZUHFHH-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H](CO)NC(N)=O ZINC000494842791 262651063 /nfs/dbraw/zinc/65/10/63/262651063.db2.gz TWICXOWVJKVYSU-NSHDSACASA-N 1 1 303.407 -1.643 20 0 DAADMO CN(CCCN(C)C(=O)[C@H](CO)NC(N)=O)CC[NH+](C)C ZINC000494842791 262651064 /nfs/dbraw/zinc/65/10/64/262651064.db2.gz TWICXOWVJKVYSU-NSHDSACASA-N 1 1 303.407 -1.643 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)C[C@@H]21 ZINC000518483653 262658388 /nfs/dbraw/zinc/65/83/88/262658388.db2.gz AQHVMWVNTGBOBW-MELADBBJSA-N 1 1 322.409 -1.166 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408448830 263218465 /nfs/dbraw/zinc/21/84/65/263218465.db2.gz BGZNGASOARJHOB-NHYWBVRUSA-N 1 1 321.381 -1.423 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000363261735 263218898 /nfs/dbraw/zinc/21/88/98/263218898.db2.gz OUJYSWRFBROESJ-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000363261735 263218901 /nfs/dbraw/zinc/21/89/01/263218901.db2.gz OUJYSWRFBROESJ-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000357868248 263218951 /nfs/dbraw/zinc/21/89/51/263218951.db2.gz KMNOADMNQINIPA-UHFFFAOYSA-N 1 1 300.403 -1.421 20 0 DAADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)C1 ZINC000444708168 263219092 /nfs/dbraw/zinc/21/90/92/263219092.db2.gz OLSHKCWGBOYHEQ-IJLUTSLNSA-N 1 1 300.355 -1.175 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CC2)C[C@H](C)[N@H+]1CCO ZINC000459952567 263219148 /nfs/dbraw/zinc/21/91/48/263219148.db2.gz OHUMZKUIZYFRFS-TXEJJXNPSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000459952567 263219150 /nfs/dbraw/zinc/21/91/50/263219150.db2.gz OHUMZKUIZYFRFS-TXEJJXNPSA-N 1 1 313.398 -1.117 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342447103 263219719 /nfs/dbraw/zinc/21/97/19/263219719.db2.gz LILLNIMAIBARMW-JTQLQIEISA-N 1 1 321.399 -1.369 20 0 DAADMO CCCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341455160 263220006 /nfs/dbraw/zinc/22/00/06/263220006.db2.gz DLTHZIASUXFAAL-RYUDHWBXSA-N 1 1 319.427 -1.400 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000347794070 263221418 /nfs/dbraw/zinc/22/14/18/263221418.db2.gz OPGHZQDVNOVFTF-UHFFFAOYSA-N 1 1 300.359 -1.253 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358188210 263221982 /nfs/dbraw/zinc/22/19/82/263221982.db2.gz TXRRLVDHDNHCPH-UWVGGRQHSA-N 1 1 321.399 -1.335 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358188210 263221984 /nfs/dbraw/zinc/22/19/84/263221984.db2.gz TXRRLVDHDNHCPH-UWVGGRQHSA-N 1 1 321.399 -1.335 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000439073117 263222225 /nfs/dbraw/zinc/22/22/25/263222225.db2.gz BUCJYGIFFGCBBT-LLVKDONJSA-N 1 1 322.431 -1.197 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000361356042 263223048 /nfs/dbraw/zinc/22/30/48/263223048.db2.gz OXOFSUBNVCDDCF-NEPJUHHUSA-N 1 1 314.386 -1.712 20 0 DAADMO C[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(=O)N(C)C ZINC000361413790 263223068 /nfs/dbraw/zinc/22/30/68/263223068.db2.gz FQLAFKPHWIQOBF-FZMZJTMJSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377776736 263223076 /nfs/dbraw/zinc/22/30/76/263223076.db2.gz HQJKWZWAZUZAKE-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377776736 263223078 /nfs/dbraw/zinc/22/30/78/263223078.db2.gz HQJKWZWAZUZAKE-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)OCC[NH+]1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000081637469 263224903 /nfs/dbraw/zinc/22/49/03/263224903.db2.gz ZBZLTFASTBPAHJ-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@](O)(CNC(=O)NC[C@@H]1COCCO1)C[NH+]1CCOCC1 ZINC000524781862 263225346 /nfs/dbraw/zinc/22/53/46/263225346.db2.gz URHMHFGEEJEKAR-TZMCWYRMSA-N 1 1 317.386 -1.216 20 0 DAADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2COCCN2)C1 ZINC000529387716 263226041 /nfs/dbraw/zinc/22/60/41/263226041.db2.gz LWLGOTHEHCRZGG-NEPJUHHUSA-N 1 1 313.402 -1.529 20 0 DAADMO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCNC(C)(C)C2)CCO1 ZINC000423287689 263227241 /nfs/dbraw/zinc/22/72/41/263227241.db2.gz NWCYMWXMKRGRIC-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000439070983 263227479 /nfs/dbraw/zinc/22/74/79/263227479.db2.gz OAYHNMOHIWAGJO-JTQLQIEISA-N 1 1 308.404 -1.445 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320811180 263227696 /nfs/dbraw/zinc/22/76/96/263227696.db2.gz IILLOXBVHRCRCH-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320811180 263227699 /nfs/dbraw/zinc/22/76/99/263227699.db2.gz IILLOXBVHRCRCH-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000341749353 263227861 /nfs/dbraw/zinc/22/78/61/263227861.db2.gz PDORXXRSMUXOMK-UHFFFAOYSA-N 1 1 301.372 -1.305 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000359272248 263229052 /nfs/dbraw/zinc/22/90/52/263229052.db2.gz LZZGHJWUEAQOAS-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2CO)cn1 ZINC000331879882 263230061 /nfs/dbraw/zinc/23/00/61/263230061.db2.gz CPKMMSWKSYUADT-STQMWFEESA-N 1 1 321.381 -1.614 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2CO)cn1 ZINC000331879882 263230062 /nfs/dbraw/zinc/23/00/62/263230062.db2.gz CPKMMSWKSYUADT-STQMWFEESA-N 1 1 321.381 -1.614 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN(C)S(C)(=O)=O ZINC000330632000 263233810 /nfs/dbraw/zinc/23/38/10/263233810.db2.gz HATNSBISSWSKEI-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434717962 263233908 /nfs/dbraw/zinc/23/39/08/263233908.db2.gz KUNKKIXLTIBNSG-GZMMTYOYSA-N 1 1 312.370 -1.079 20 0 DAADMO CNC(=O)C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000358570592 263234617 /nfs/dbraw/zinc/23/46/17/263234617.db2.gz JQIITWZKKBPCSE-UHFFFAOYSA-N 1 1 316.402 -1.431 20 0 DAADMO Cn1cc(N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2=O)cn1 ZINC000175417017 263234766 /nfs/dbraw/zinc/23/47/66/263234766.db2.gz MBLGSMCOUHKUEG-AWEZNQCLSA-N 1 1 323.397 -1.238 20 0 DAADMO O=C(C[N@H+]1[C@@H](CO)CC[C@H]1CO)NCCCN1CCCC1=O ZINC000347306013 263235516 /nfs/dbraw/zinc/23/55/16/263235516.db2.gz AKDBIENXGXUVJO-BETUJISGSA-N 1 1 313.398 -1.067 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000358572746 263236494 /nfs/dbraw/zinc/23/64/94/263236494.db2.gz QYMAJZGLMNMGHN-SNVBAGLBSA-N 1 1 316.358 -2.607 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000360169661 263237078 /nfs/dbraw/zinc/23/70/78/263237078.db2.gz GLBVOGQIUSSWAD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332664057 263237115 /nfs/dbraw/zinc/23/71/15/263237115.db2.gz DYXXDHVFRBZRCG-SECBINFHSA-N 1 1 312.326 -2.692 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000332664057 263237116 /nfs/dbraw/zinc/23/71/16/263237116.db2.gz DYXXDHVFRBZRCG-SECBINFHSA-N 1 1 312.326 -2.692 20 0 DAADMO CC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000354022662 263237126 /nfs/dbraw/zinc/23/71/26/263237126.db2.gz RMHVXTMEWYFEBM-UHFFFAOYSA-N 1 1 303.388 -1.234 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424022392 263237208 /nfs/dbraw/zinc/23/72/08/263237208.db2.gz DEFREODWESXJTL-NSHDSACASA-N 1 1 319.383 -2.152 20 0 DAADMO COCC(=O)N1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000346338125 263239392 /nfs/dbraw/zinc/23/93/92/263239392.db2.gz OCXKBTFMVHQTRM-UHFFFAOYSA-N 1 1 315.370 -1.202 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000357336741 263240044 /nfs/dbraw/zinc/24/00/44/263240044.db2.gz VWFCVGGGJNLJLM-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000357336741 263240045 /nfs/dbraw/zinc/24/00/45/263240045.db2.gz VWFCVGGGJNLJLM-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO COC(=O)COCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352940760 263240063 /nfs/dbraw/zinc/24/00/63/263240063.db2.gz NEPCKVBWURCZET-LLVKDONJSA-N 1 1 315.370 -1.120 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000262627436 263240586 /nfs/dbraw/zinc/24/05/86/263240586.db2.gz DQTGTAGJCGFEPE-LLVKDONJSA-N 1 1 316.427 -1.444 20 0 DAADMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000333575818 263240593 /nfs/dbraw/zinc/24/05/93/263240593.db2.gz MYQXLEUYUIFWFE-ZDUSSCGKSA-N 1 1 301.366 -1.239 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426491759 263241153 /nfs/dbraw/zinc/24/11/53/263241153.db2.gz JXETUZHCPCNMLH-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426491759 263241158 /nfs/dbraw/zinc/24/11/58/263241158.db2.gz JXETUZHCPCNMLH-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286298 263242775 /nfs/dbraw/zinc/24/27/75/263242775.db2.gz UIOMEPDQJJBBJG-UWVGGRQHSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286298 263242776 /nfs/dbraw/zinc/24/27/76/263242776.db2.gz UIOMEPDQJJBBJG-UWVGGRQHSA-N 1 1 322.369 -1.142 20 0 DAADMO CCNC(=O)CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000355805287 263243293 /nfs/dbraw/zinc/24/32/93/263243293.db2.gz NRZAIMDBUODYMF-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO O=C([C@H]1COCCN1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040099 263244691 /nfs/dbraw/zinc/24/46/91/263244691.db2.gz LAQDSHLJOCNHLR-LLVKDONJSA-N 1 1 318.399 -2.579 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428549238 263245231 /nfs/dbraw/zinc/24/52/31/263245231.db2.gz SDLXXSDKYGRQBA-MDZLAQPJSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428549238 263245234 /nfs/dbraw/zinc/24/52/34/263245234.db2.gz SDLXXSDKYGRQBA-MDZLAQPJSA-N 1 1 313.398 -1.213 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426491762 263245616 /nfs/dbraw/zinc/24/56/16/263245616.db2.gz JXETUZHCPCNMLH-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426491762 263245617 /nfs/dbraw/zinc/24/56/17/263245617.db2.gz JXETUZHCPCNMLH-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)CO1 ZINC000347962497 263245733 /nfs/dbraw/zinc/24/57/33/263245733.db2.gz ADYOLGUSGSPBMP-UPJWGTAASA-N 1 1 312.414 -1.016 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451488481 263246704 /nfs/dbraw/zinc/24/67/04/263246704.db2.gz ASHLCJDIDAKFLE-PHIMTYICSA-N 1 1 322.431 -1.392 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451488481 263246706 /nfs/dbraw/zinc/24/67/06/263246706.db2.gz ASHLCJDIDAKFLE-PHIMTYICSA-N 1 1 322.431 -1.392 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2CO)CC1 ZINC000459894621 263248179 /nfs/dbraw/zinc/24/81/79/263248179.db2.gz IKHKHXZXBGYJMF-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000262392802 263249124 /nfs/dbraw/zinc/24/91/24/263249124.db2.gz XZHDWYDDCXRQCY-RISCZKNCSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)CC)CC1 ZINC000330485798 263250420 /nfs/dbraw/zinc/25/04/20/263250420.db2.gz CDRRTASVPQMWFQ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC(=O)NCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000493404117 263250662 /nfs/dbraw/zinc/25/06/62/263250662.db2.gz BQGHLMZJDLDPTO-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000333733137 263251320 /nfs/dbraw/zinc/25/13/20/263251320.db2.gz WLQKLGMVCWXBBL-KGLIPLIRSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000333733137 263251324 /nfs/dbraw/zinc/25/13/24/263251324.db2.gz WLQKLGMVCWXBBL-KGLIPLIRSA-N 1 1 313.446 -1.012 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000343894363 263251624 /nfs/dbraw/zinc/25/16/24/263251624.db2.gz RSRUTSHSBLRZNQ-HJTOQOCKSA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000343894363 263251628 /nfs/dbraw/zinc/25/16/28/263251628.db2.gz RSRUTSHSBLRZNQ-HJTOQOCKSA-N 1 1 319.427 -1.294 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000444704729 263251738 /nfs/dbraw/zinc/25/17/38/263251738.db2.gz UQTWSZKBCBOBNO-TXEJJXNPSA-N 1 1 314.386 -2.744 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000444704729 263251740 /nfs/dbraw/zinc/25/17/40/263251740.db2.gz UQTWSZKBCBOBNO-TXEJJXNPSA-N 1 1 314.386 -2.744 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000331296678 263251818 /nfs/dbraw/zinc/25/18/18/263251818.db2.gz TYBLHZGXTDTWOC-NWDGAFQWSA-N 1 1 301.387 -1.259 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000440335863 263251983 /nfs/dbraw/zinc/25/19/83/263251983.db2.gz GRVINUWFNXRHGA-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000440335863 263251984 /nfs/dbraw/zinc/25/19/84/263251984.db2.gz GRVINUWFNXRHGA-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO COCCC(=O)N1CC[NH+](CCC(=O)NCC(=O)OC)CC1 ZINC000355769125 263252817 /nfs/dbraw/zinc/25/28/17/263252817.db2.gz HZCQYNVNTOXSCC-UHFFFAOYSA-N 1 1 315.370 -1.154 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCSC1 ZINC000346760283 263253269 /nfs/dbraw/zinc/25/32/69/263253269.db2.gz CIPMWAAEHLFRGB-QWRGUYRKSA-N 1 1 300.428 -1.030 20 0 DAADMO O=C(NCCCn1nc2n(c1=O)CCCC2)[C@H]1COCC[NH2+]1 ZINC000429974267 263253396 /nfs/dbraw/zinc/25/33/96/263253396.db2.gz ONXDIJVVHSEBDU-LLVKDONJSA-N 1 1 309.370 -1.124 20 0 DAADMO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000363146835 263254587 /nfs/dbraw/zinc/25/45/87/263254587.db2.gz ICSHUXLPPYGNLG-RYUDHWBXSA-N 1 1 316.427 -1.474 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000334092060 263254842 /nfs/dbraw/zinc/25/48/42/263254842.db2.gz UCVRFGPNZBNYCQ-WDEREUQCSA-N 1 1 322.431 -1.368 20 0 DAADMO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000330145441 263255166 /nfs/dbraw/zinc/25/51/66/263255166.db2.gz HHZUWBNPDWWWAO-LLVKDONJSA-N 1 1 310.354 -2.122 20 0 DAADMO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000330145441 263255169 /nfs/dbraw/zinc/25/51/69/263255169.db2.gz HHZUWBNPDWWWAO-LLVKDONJSA-N 1 1 310.354 -2.122 20 0 DAADMO NC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362648179 263255398 /nfs/dbraw/zinc/25/53/98/263255398.db2.gz HNHHDDKTYLKYNX-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CC[N@@H+](C)C1 ZINC000413292316 263255484 /nfs/dbraw/zinc/25/54/84/263255484.db2.gz AGJPUMMKRBWLMN-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)N1CCOCC1 ZINC000341217534 263257552 /nfs/dbraw/zinc/25/75/52/263257552.db2.gz YAISAVHCTRKNPL-LLVKDONJSA-N 1 1 320.415 -1.507 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)N1CCOCC1 ZINC000341217534 263257554 /nfs/dbraw/zinc/25/75/54/263257554.db2.gz YAISAVHCTRKNPL-LLVKDONJSA-N 1 1 320.415 -1.507 20 0 DAADMO COCCNc1nc(N2CC[C@H](O)C2)nc(N2CC[C@H](O)C2)[nH+]1 ZINC000344855409 263259103 /nfs/dbraw/zinc/25/91/03/263259103.db2.gz DZAYJNVQYVMSCP-QWRGUYRKSA-N 1 1 324.385 -1.506 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330368476 263260251 /nfs/dbraw/zinc/26/02/51/263260251.db2.gz QCCGWZZBALRNEW-OLZOCXBDSA-N 1 1 321.443 -1.307 20 0 DAADMO CNC(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000341378464 263260431 /nfs/dbraw/zinc/26/04/31/263260431.db2.gz RKDQEXLMXMNIIL-JTQLQIEISA-N 1 1 320.415 -1.507 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000343891693 263261762 /nfs/dbraw/zinc/26/17/62/263261762.db2.gz NYFGCNKLDONMMC-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342479958 263261938 /nfs/dbraw/zinc/26/19/38/263261938.db2.gz NYLOCXJJVRDHLA-LLVKDONJSA-N 1 1 322.431 -1.102 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000529287953 263261969 /nfs/dbraw/zinc/26/19/69/263261969.db2.gz BCUARXIZCBXAKB-UHFFFAOYSA-N 1 1 301.372 -1.200 20 0 DAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)N2CCOCC2)CC1 ZINC000328842271 263262757 /nfs/dbraw/zinc/26/27/57/263262757.db2.gz IAICYTSHMWGAAW-UHFFFAOYSA-N 1 1 320.415 -1.683 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351606094 263262869 /nfs/dbraw/zinc/26/28/69/263262869.db2.gz ABLBWAXUONAANZ-VIFPVBQESA-N 1 1 312.248 -1.703 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351606094 263262870 /nfs/dbraw/zinc/26/28/70/263262870.db2.gz ABLBWAXUONAANZ-VIFPVBQESA-N 1 1 312.248 -1.703 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332591659 263262883 /nfs/dbraw/zinc/26/28/83/263262883.db2.gz GFPLJESYNFIUMI-UPJWGTAASA-N 1 1 310.398 -1.132 20 0 DAADMO COC(=O)C1(O)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408082563 263263914 /nfs/dbraw/zinc/26/39/14/263263914.db2.gz YVWUWLSDJUZSGE-GFCCVEGCSA-N 1 1 311.382 -1.097 20 0 DAADMO CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353102433 263265275 /nfs/dbraw/zinc/26/52/75/263265275.db2.gz PAYPATWSLJYKIH-NSHDSACASA-N 1 1 313.402 -1.798 20 0 DAADMO C[C@@H](O)C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@H](C)CO ZINC000443333726 263265869 /nfs/dbraw/zinc/26/58/69/263265869.db2.gz KPHAYYVGGSNCIL-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@H](O)C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@H](C)CO ZINC000443333726 263265870 /nfs/dbraw/zinc/26/58/70/263265870.db2.gz KPHAYYVGGSNCIL-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000519822111 263266514 /nfs/dbraw/zinc/26/65/14/263266514.db2.gz FNRXYSPKIIWIFZ-UHFFFAOYSA-N 1 1 314.371 -2.126 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000261907962 263266522 /nfs/dbraw/zinc/26/65/22/263266522.db2.gz INSNVDQJRRYGHH-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1=O ZINC000359954974 263268886 /nfs/dbraw/zinc/26/88/86/263268886.db2.gz GGLVCGCFSHAHOB-VXGBXAGGSA-N 1 1 322.365 -1.474 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000344654202 263268906 /nfs/dbraw/zinc/26/89/06/263268906.db2.gz DKUKGOZVRJAOBU-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000344654202 263268908 /nfs/dbraw/zinc/26/89/08/263268908.db2.gz DKUKGOZVRJAOBU-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000443524953 263269101 /nfs/dbraw/zinc/26/91/01/263269101.db2.gz XUDQMIDVXAFKOK-QWRGUYRKSA-N 1 1 320.415 -1.221 20 0 DAADMO CC[N@@H+](C)CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000112926134 263269136 /nfs/dbraw/zinc/26/91/36/263269136.db2.gz MQWIJBROLAKBKP-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000354047841 263269498 /nfs/dbraw/zinc/26/94/98/263269498.db2.gz ASGRSNMCTZFGIE-CYBMUJFWSA-N 1 1 311.382 -1.026 20 0 DAADMO CC[C@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000451154447 263270682 /nfs/dbraw/zinc/27/06/82/263270682.db2.gz LDEKRMYUARTNKU-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC[N@@H+](C)C1 ZINC000413372269 263270828 /nfs/dbraw/zinc/27/08/28/263270828.db2.gz XNRCECNHVHHQIR-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCS(=O)(=O)NC(C)C ZINC000347197754 263271144 /nfs/dbraw/zinc/27/11/44/263271144.db2.gz MBERYRABWOGTEC-UHFFFAOYSA-N 1 1 324.447 -1.072 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCS(=O)(=O)N(C)C)CC1 ZINC000444380926 263271280 /nfs/dbraw/zinc/27/12/80/263271280.db2.gz IMDKKTPVXWTNBP-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000349640899 263273118 /nfs/dbraw/zinc/27/31/18/263273118.db2.gz VMDLXQURJOKLFO-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000349640899 263273120 /nfs/dbraw/zinc/27/31/20/263273120.db2.gz VMDLXQURJOKLFO-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)S(N)(=O)=O ZINC000441911114 263273621 /nfs/dbraw/zinc/27/36/21/263273621.db2.gz FAGKWIDHUCSNCF-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2cnnc2C1 ZINC000358553129 263274341 /nfs/dbraw/zinc/27/43/41/263274341.db2.gz AKZRBFNKUKDGFA-UHFFFAOYSA-N 1 1 310.358 -1.685 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000458689316 263274718 /nfs/dbraw/zinc/27/47/18/263274718.db2.gz SKONFPKZLVAVMY-NSHDSACASA-N 1 1 324.385 -1.153 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397197 263274698 /nfs/dbraw/zinc/27/46/98/263274698.db2.gz DUERPGRRXVIDLF-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397197 263274700 /nfs/dbraw/zinc/27/47/00/263274700.db2.gz DUERPGRRXVIDLF-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000458689316 263274714 /nfs/dbraw/zinc/27/47/14/263274714.db2.gz SKONFPKZLVAVMY-NSHDSACASA-N 1 1 324.385 -1.153 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000408089548 263275002 /nfs/dbraw/zinc/27/50/02/263275002.db2.gz OHXJVKZQZVPDGQ-UHFFFAOYSA-N 1 1 311.430 -1.358 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358049437 263276910 /nfs/dbraw/zinc/27/69/10/263276910.db2.gz OMGVNFXGVAWYJG-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2COCC[NH2+]2)CC(=O)N1C ZINC000424181307 263277414 /nfs/dbraw/zinc/27/74/14/263277414.db2.gz BWIRVVHLYJHTJK-GBIKHYSHSA-N 1 1 307.354 -1.204 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CCOCC1=O ZINC000344417037 263277581 /nfs/dbraw/zinc/27/75/81/263277581.db2.gz WEAFXFLQHTZZIV-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494481214 263278553 /nfs/dbraw/zinc/27/85/53/263278553.db2.gz DZWMVKIWBCYZJM-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000376816267 263278838 /nfs/dbraw/zinc/27/88/38/263278838.db2.gz OCAYDPFRIWYMNE-VIFPVBQESA-N 1 1 306.388 -1.027 20 0 DAADMO COC(=O)CNC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444399915 263278848 /nfs/dbraw/zinc/27/88/48/263278848.db2.gz CAJBZKCJUPVDEQ-UHFFFAOYSA-N 1 1 303.359 -2.098 20 0 DAADMO COC(=O)CNC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444399915 263278850 /nfs/dbraw/zinc/27/88/50/263278850.db2.gz CAJBZKCJUPVDEQ-UHFFFAOYSA-N 1 1 303.359 -2.098 20 0 DAADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000357064559 263278884 /nfs/dbraw/zinc/27/88/84/263278884.db2.gz IGYWJWIAAPIFME-NXEZZACHSA-N 1 1 323.397 -1.127 20 0 DAADMO O=S(=O)(NCCCC[NH+]1CCN(CCO)CC1)NC1CC1 ZINC000355838556 263278906 /nfs/dbraw/zinc/27/89/06/263278906.db2.gz DBIOHMPFFLFXKI-UHFFFAOYSA-N 1 1 320.459 -1.037 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363370627 263279164 /nfs/dbraw/zinc/27/91/64/263279164.db2.gz MXJBMFOQDRXUCO-HBNTYKKESA-N 1 1 305.400 -1.097 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000361192409 263280208 /nfs/dbraw/zinc/28/02/08/263280208.db2.gz VJNVDQCPHASRBK-SECBINFHSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000361192409 263280209 /nfs/dbraw/zinc/28/02/09/263280209.db2.gz VJNVDQCPHASRBK-SECBINFHSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H](C)CN1 ZINC000419779585 263280598 /nfs/dbraw/zinc/28/05/98/263280598.db2.gz PJOWHKREUAGUAM-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1=O ZINC000359954969 263281437 /nfs/dbraw/zinc/28/14/37/263281437.db2.gz GGLVCGCFSHAHOB-NEPJUHHUSA-N 1 1 322.365 -1.474 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000331307198 263282189 /nfs/dbraw/zinc/28/21/89/263282189.db2.gz XIKNZBDVGMCMHL-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[N@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC000331307198 263282192 /nfs/dbraw/zinc/28/21/92/263282192.db2.gz XIKNZBDVGMCMHL-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358045397 263282534 /nfs/dbraw/zinc/28/25/34/263282534.db2.gz JODMFZWDSBGQPB-JQWIXIFHSA-N 1 1 307.416 -1.257 20 0 DAADMO NC(=O)CSCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362664447 263282537 /nfs/dbraw/zinc/28/25/37/263282537.db2.gz NMWSUPUSKNZFEZ-SNVBAGLBSA-N 1 1 314.411 -1.372 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CNC(C)=O)CC1=O ZINC000354130994 263283192 /nfs/dbraw/zinc/28/31/92/263283192.db2.gz MZVBXTPDMANIKV-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000337029919 263283341 /nfs/dbraw/zinc/28/33/41/263283341.db2.gz CRHPENFIWAQSSS-GYSYKLTISA-N 1 1 300.355 -1.005 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000330813101 263283790 /nfs/dbraw/zinc/28/37/90/263283790.db2.gz KEYUIQOHRYXKHA-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@H](C)O ZINC000352203024 263284717 /nfs/dbraw/zinc/28/47/17/263284717.db2.gz OMFVYYMMXWXTDE-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352022205 263285136 /nfs/dbraw/zinc/28/51/36/263285136.db2.gz OBHIPDFQAHHQBZ-NWDGAFQWSA-N 1 1 301.387 -1.213 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352022205 263285137 /nfs/dbraw/zinc/28/51/37/263285137.db2.gz OBHIPDFQAHHQBZ-NWDGAFQWSA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)c2ncccc2O)C1 ZINC000358064883 263286179 /nfs/dbraw/zinc/28/61/79/263286179.db2.gz KUNCZTAEVBAMTD-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000407951339 263286585 /nfs/dbraw/zinc/28/65/85/263286585.db2.gz RFSFRBGVDUIYRF-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000407951339 263286586 /nfs/dbraw/zinc/28/65/86/263286586.db2.gz RFSFRBGVDUIYRF-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000447263692 263287839 /nfs/dbraw/zinc/28/78/39/263287839.db2.gz KFWNESKAIJGCNG-AICCOOGYSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000447263692 263287841 /nfs/dbraw/zinc/28/78/41/263287841.db2.gz KFWNESKAIJGCNG-AICCOOGYSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000447263692 263287842 /nfs/dbraw/zinc/28/78/42/263287842.db2.gz KFWNESKAIJGCNG-AICCOOGYSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000447263692 263287843 /nfs/dbraw/zinc/28/78/43/263287843.db2.gz KFWNESKAIJGCNG-AICCOOGYSA-N 1 1 318.414 -1.490 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC000372865354 263288220 /nfs/dbraw/zinc/28/82/20/263288220.db2.gz GZKBWDIMJHDEBJ-LLVKDONJSA-N 1 1 322.431 -1.344 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC000372865354 263288223 /nfs/dbraw/zinc/28/82/23/263288223.db2.gz GZKBWDIMJHDEBJ-LLVKDONJSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000330369390 263288724 /nfs/dbraw/zinc/28/87/24/263288724.db2.gz WXRWLRKMADUESL-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000333305001 263289630 /nfs/dbraw/zinc/28/96/30/263289630.db2.gz MZHPXIWPNCVGHJ-NSHDSACASA-N 1 1 305.400 -1.285 20 0 DAADMO CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000333305001 263289632 /nfs/dbraw/zinc/28/96/32/263289632.db2.gz MZHPXIWPNCVGHJ-NSHDSACASA-N 1 1 305.400 -1.285 20 0 DAADMO CN(C)c1nc(N2CCN(CC(=O)NC(N)=O)CC2)cc[nH+]1 ZINC000352234728 263290241 /nfs/dbraw/zinc/29/02/41/263290241.db2.gz NDPOXRCWDGWMBA-UHFFFAOYSA-N 1 1 307.358 -1.141 20 0 DAADMO CN1CCN(C(=O)CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000369815449 263290970 /nfs/dbraw/zinc/29/09/70/263290970.db2.gz ZPKQWPXFEUFVGV-LBPRGKRZSA-N 1 1 323.397 -2.207 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000369815449 263290972 /nfs/dbraw/zinc/29/09/72/263290972.db2.gz ZPKQWPXFEUFVGV-LBPRGKRZSA-N 1 1 323.397 -2.207 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC(=O)NC[C@H]1C(=O)OC ZINC000517038240 263291164 /nfs/dbraw/zinc/29/11/64/263291164.db2.gz PLBOZIBWBZFMDJ-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000447657977 263293384 /nfs/dbraw/zinc/29/33/84/263293384.db2.gz XXTUPUOWDUNYGO-OUAUKWLOSA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000447657977 263293385 /nfs/dbraw/zinc/29/33/85/263293385.db2.gz XXTUPUOWDUNYGO-OUAUKWLOSA-N 1 1 302.375 -1.417 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330366555 263293626 /nfs/dbraw/zinc/29/36/26/263293626.db2.gz VBCYRBIIKZXZEA-NEPJUHHUSA-N 1 1 307.416 -1.568 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367182436 263293692 /nfs/dbraw/zinc/29/36/92/263293692.db2.gz ADWZXLQIYYJYHE-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](CO)O1 ZINC000410981719 263294270 /nfs/dbraw/zinc/29/42/70/263294270.db2.gz OFBRYBKEJODCKC-YVECIDJPSA-N 1 1 311.382 -1.243 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CCCN1C(=O)CNC1=O ZINC000347790540 263294619 /nfs/dbraw/zinc/29/46/19/263294619.db2.gz FFZSYOIVRMTXOX-UHFFFAOYSA-N 1 1 300.359 -1.251 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000342321844 263295110 /nfs/dbraw/zinc/29/51/10/263295110.db2.gz QLEDCXWRRGYDJL-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO Cn1cc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000328972831 263295516 /nfs/dbraw/zinc/29/55/16/263295516.db2.gz VOEWAAHTQMHWOW-CHWSQXEVSA-N 1 1 308.382 -1.011 20 0 DAADMO C[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1CC(C)(C)O ZINC000333364459 263297229 /nfs/dbraw/zinc/29/72/29/263297229.db2.gz UXIQQKZUHHSNFI-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ncnc2nc[nH]c21 ZINC000358070368 263298535 /nfs/dbraw/zinc/29/85/35/263298535.db2.gz VHHXVEDPYNOYMK-AWEZNQCLSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ncnc2[nH]cnc21 ZINC000358070368 263298537 /nfs/dbraw/zinc/29/85/37/263298537.db2.gz VHHXVEDPYNOYMK-AWEZNQCLSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ncnc2[nH]cnc21 ZINC000358070368 263298538 /nfs/dbraw/zinc/29/85/38/263298538.db2.gz VHHXVEDPYNOYMK-AWEZNQCLSA-N 1 1 319.369 -1.028 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330705247 263298606 /nfs/dbraw/zinc/29/86/06/263298606.db2.gz KNIIJMHOSBBUBM-SECBINFHSA-N 1 1 312.326 -1.756 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330705247 263298608 /nfs/dbraw/zinc/29/86/08/263298608.db2.gz KNIIJMHOSBBUBM-SECBINFHSA-N 1 1 312.326 -1.756 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)C2)C[C@H](C)[N@H+]1CCO ZINC000459834710 263298654 /nfs/dbraw/zinc/29/86/54/263298654.db2.gz QFWMIUIXRQGPPD-PHIMTYICSA-N 1 1 312.370 -2.142 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCNC(=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000459834710 263298657 /nfs/dbraw/zinc/29/86/57/263298657.db2.gz QFWMIUIXRQGPPD-PHIMTYICSA-N 1 1 312.370 -2.142 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000351505067 263300992 /nfs/dbraw/zinc/30/09/92/263300992.db2.gz LOENNUDXIHEWJB-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000351505067 263300994 /nfs/dbraw/zinc/30/09/94/263300994.db2.gz LOENNUDXIHEWJB-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827516 263302370 /nfs/dbraw/zinc/30/23/70/263302370.db2.gz LTSDBJUIFMYCSQ-IWSPIJDZSA-N 1 1 310.354 -1.450 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827516 263302371 /nfs/dbraw/zinc/30/23/71/263302371.db2.gz LTSDBJUIFMYCSQ-IWSPIJDZSA-N 1 1 310.354 -1.450 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH+](CCO)CC2)C(=O)C1=O ZINC000328834785 263303183 /nfs/dbraw/zinc/30/31/83/263303183.db2.gz LYKXYLOGECNSOL-UHFFFAOYSA-N 1 1 312.370 -2.186 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330368477 263303488 /nfs/dbraw/zinc/30/34/88/263303488.db2.gz QCCGWZZBALRNEW-QWHCGFSZSA-N 1 1 321.443 -1.307 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168094 263303501 /nfs/dbraw/zinc/30/35/01/263303501.db2.gz PEHFVUKKUATMIU-CQSZACIVSA-N 1 1 309.370 -1.566 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330448575 263303771 /nfs/dbraw/zinc/30/37/71/263303771.db2.gz IMABSNIJZPTJSH-PHIMTYICSA-N 1 1 322.431 -1.344 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366852729 263304446 /nfs/dbraw/zinc/30/44/46/263304446.db2.gz INVBOLZOPQHWLV-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366852729 263304449 /nfs/dbraw/zinc/30/44/49/263304449.db2.gz INVBOLZOPQHWLV-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000330816315 263304583 /nfs/dbraw/zinc/30/45/83/263304583.db2.gz LGROUXFYLINEEC-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(c2cnccn2)CC1 ZINC000488014582 263304952 /nfs/dbraw/zinc/30/49/52/263304952.db2.gz ZMAJJFGNILHNKM-STQMWFEESA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(c2cnccn2)CC1 ZINC000488014582 263304954 /nfs/dbraw/zinc/30/49/54/263304954.db2.gz ZMAJJFGNILHNKM-STQMWFEESA-N 1 1 321.381 -1.447 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261995533 263305380 /nfs/dbraw/zinc/30/53/80/263305380.db2.gz TZJCWTPZWZEQRN-VWYCJHECSA-N 1 1 305.400 -1.097 20 0 DAADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000332571182 263305592 /nfs/dbraw/zinc/30/55/92/263305592.db2.gz BBQFVHHSZHEIPV-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000174831115 263307824 /nfs/dbraw/zinc/30/78/24/263307824.db2.gz AZUULBBUFKUGLL-VXGBXAGGSA-N 1 1 320.459 -1.076 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NCCC[NH+]1CCOCC1 ZINC000340944405 263308022 /nfs/dbraw/zinc/30/80/22/263308022.db2.gz WBECJJVWIAHPEU-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CCOC1 ZINC000420175695 263308123 /nfs/dbraw/zinc/30/81/23/263308123.db2.gz ORJYBNISCLEYNZ-VIFPVBQESA-N 1 1 309.313 -1.040 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000341715354 263309435 /nfs/dbraw/zinc/30/94/35/263309435.db2.gz FTPFNWYTNHFMSS-NEPJUHHUSA-N 1 1 321.385 -1.458 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC1 ZINC000497090327 263310073 /nfs/dbraw/zinc/31/00/73/263310073.db2.gz PMVJLJOUAZNSKD-GFCCVEGCSA-N 1 1 317.386 -1.038 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)CC1 ZINC000497090327 263310075 /nfs/dbraw/zinc/31/00/75/263310075.db2.gz PMVJLJOUAZNSKD-GFCCVEGCSA-N 1 1 317.386 -1.038 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C[C@H]1C(N)=O ZINC000356950229 263311999 /nfs/dbraw/zinc/31/19/99/263311999.db2.gz PBRURNFTHKDFKO-MXWKQRLJSA-N 1 1 313.354 -1.824 20 0 DAADMO CC(=O)NCCNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353013005 263313227 /nfs/dbraw/zinc/31/32/27/263313227.db2.gz AZCXJCAHZUYFFT-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)CO)CC2)CC1 ZINC000089423053 263313677 /nfs/dbraw/zinc/31/36/77/263313677.db2.gz KJGAEBVHLHNHNE-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362647545 263313696 /nfs/dbraw/zinc/31/36/96/263313696.db2.gz FTYYLFIGUAQTRL-SNVBAGLBSA-N 1 1 318.399 -2.042 20 0 DAADMO Cn1c2[nH]c(C[NH2+][C@@H](CO)[C@@H]3CCCO3)nc2c(=O)n(C)c1=O ZINC000447911156 263313701 /nfs/dbraw/zinc/31/37/01/263313701.db2.gz DRMXMUDVZRQKIA-IUCAKERBSA-N 1 1 323.353 -1.410 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000330667443 263314016 /nfs/dbraw/zinc/31/40/16/263314016.db2.gz YIRXWNCNVRCPNP-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000358728276 263314080 /nfs/dbraw/zinc/31/40/80/263314080.db2.gz XWBIWKVVJMBRJQ-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425848014 263314406 /nfs/dbraw/zinc/31/44/06/263314406.db2.gz MTYGRPRNAUFUCS-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000314880867 263315248 /nfs/dbraw/zinc/31/52/48/263315248.db2.gz ZWXYNLYMXWJXNK-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000314880867 263315250 /nfs/dbraw/zinc/31/52/50/263315250.db2.gz ZWXYNLYMXWJXNK-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)OC ZINC000320033680 263315543 /nfs/dbraw/zinc/31/55/43/263315543.db2.gz LFXGYTDGFLYGRR-CHIMOYNISA-N 1 1 315.370 -1.388 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)OC ZINC000320033680 263315545 /nfs/dbraw/zinc/31/55/45/263315545.db2.gz LFXGYTDGFLYGRR-CHIMOYNISA-N 1 1 315.370 -1.388 20 0 DAADMO C[C@H]1C[N@H+](C)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347663020 263316013 /nfs/dbraw/zinc/31/60/13/263316013.db2.gz GHKGHRRNTPSYEK-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347663020 263316015 /nfs/dbraw/zinc/31/60/15/263316015.db2.gz GHKGHRRNTPSYEK-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@](C)(C(N)=O)C2)cn1 ZINC000361555318 263316087 /nfs/dbraw/zinc/31/60/87/263316087.db2.gz AHTVPXWYXFAPMB-GFCCVEGCSA-N 1 1 315.399 -1.104 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000330625869 263316212 /nfs/dbraw/zinc/31/62/12/263316212.db2.gz IEHDFPAYWBSGHH-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000330625869 263316214 /nfs/dbraw/zinc/31/62/14/263316214.db2.gz IEHDFPAYWBSGHH-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358198027 263317264 /nfs/dbraw/zinc/31/72/64/263317264.db2.gz PFDPGYXQSBMUBP-SNVBAGLBSA-N 1 1 321.399 -1.334 20 0 DAADMO COCC(=O)N1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000331146372 263317295 /nfs/dbraw/zinc/31/72/95/263317295.db2.gz AJUZNBYKBKLFKI-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000345024171 263318097 /nfs/dbraw/zinc/31/80/97/263318097.db2.gz YETNLSJVTDMAHP-LBPRGKRZSA-N 1 1 314.367 -1.475 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000494678500 263319214 /nfs/dbraw/zinc/31/92/14/263319214.db2.gz ZRSQGJRKIOWHPL-MRVPVSSYSA-N 1 1 308.360 -1.195 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000358556603 263319431 /nfs/dbraw/zinc/31/94/31/263319431.db2.gz CXZFTUZBFPCQKX-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000334092059 263319501 /nfs/dbraw/zinc/31/95/01/263319501.db2.gz UCVRFGPNZBNYCQ-GHMZBOCLSA-N 1 1 322.431 -1.368 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000434909378 263319546 /nfs/dbraw/zinc/31/95/46/263319546.db2.gz LPSSFMUHGJCHGV-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330511783 263319998 /nfs/dbraw/zinc/31/99/98/263319998.db2.gz BNSZPXZSPONSOC-NSHDSACASA-N 1 1 303.388 -1.346 20 0 DAADMO CN1C[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000333661276 263320366 /nfs/dbraw/zinc/32/03/66/263320366.db2.gz XAULTMMXOMHELH-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353204718 263320724 /nfs/dbraw/zinc/32/07/24/263320724.db2.gz NLXXALMEMGXGKI-NXEZZACHSA-N 1 1 300.359 -1.715 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000347142430 263320939 /nfs/dbraw/zinc/32/09/39/263320939.db2.gz AFKFBZAVXXXXTQ-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO COCC(=O)N1CC[NH+](CCC(=O)NCC(=O)OC)CC1 ZINC000346332221 263321039 /nfs/dbraw/zinc/32/10/39/263321039.db2.gz IHPUDSGYFPSGKL-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054155 263322335 /nfs/dbraw/zinc/32/23/35/263322335.db2.gz JIMXHGNKQOLBLI-HTQZYQBOSA-N 1 1 310.314 -1.105 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054155 263322338 /nfs/dbraw/zinc/32/23/38/263322338.db2.gz JIMXHGNKQOLBLI-HTQZYQBOSA-N 1 1 310.314 -1.105 20 0 DAADMO COCCN1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000330586652 263323421 /nfs/dbraw/zinc/32/34/21/263323421.db2.gz LYGHNDSRVVDSFL-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330576418 263323498 /nfs/dbraw/zinc/32/34/98/263323498.db2.gz ORDRJHBQAFQBCD-UHFFFAOYSA-N 1 1 305.400 -1.299 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000355122727 263324202 /nfs/dbraw/zinc/32/42/02/263324202.db2.gz ACUSIYDYALFQKJ-WDEREUQCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000329544427 263325683 /nfs/dbraw/zinc/32/56/83/263325683.db2.gz GAFUIUDVXDSHTO-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194399775 782037738 /nfs/dbraw/zinc/03/77/38/782037738.db2.gz UDROOCQOKZHISE-VXGBXAGGSA-N 1 1 310.354 -1.423 20 0 DAADMO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)s1 ZINC001194451217 782038031 /nfs/dbraw/zinc/03/80/31/782038031.db2.gz OTRYJXDGTICOBH-NXEZZACHSA-N 1 1 316.383 -1.483 20 0 DAADMO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)s1 ZINC001194451217 782038041 /nfs/dbraw/zinc/03/80/41/782038041.db2.gz OTRYJXDGTICOBH-NXEZZACHSA-N 1 1 316.383 -1.483 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCCC1 ZINC001194546019 782039209 /nfs/dbraw/zinc/03/92/09/782039209.db2.gz VMKAHTDSJPNNRO-MCIONIFRSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCCC1 ZINC001194546019 782039199 /nfs/dbraw/zinc/03/91/99/782039199.db2.gz VMKAHTDSJPNNRO-MCIONIFRSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194500053 782040711 /nfs/dbraw/zinc/04/07/11/782040711.db2.gz CUEQWCJXCFMPCV-GMTAPVOTSA-N 1 1 302.375 -1.633 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001194523883 782040853 /nfs/dbraw/zinc/04/08/53/782040853.db2.gz MCUSKEINUFUAIC-HBNTYKKESA-N 1 1 313.354 -1.932 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCCC1 ZINC001194546020 782041006 /nfs/dbraw/zinc/04/10/06/782041006.db2.gz VMKAHTDSJPNNRO-MGPQQGTHSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCCC1 ZINC001194546020 782041014 /nfs/dbraw/zinc/04/10/14/782041014.db2.gz VMKAHTDSJPNNRO-MGPQQGTHSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001194704769 782041787 /nfs/dbraw/zinc/04/17/87/782041787.db2.gz VAEMLVCMVKZVMP-QJPTWQEYSA-N 1 1 304.387 -1.172 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194754831 782047148 /nfs/dbraw/zinc/04/71/48/782047148.db2.gz PZNJIFDXVICMPD-PWSUYJOCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194754831 782047158 /nfs/dbraw/zinc/04/71/58/782047158.db2.gz PZNJIFDXVICMPD-PWSUYJOCSA-N 1 1 324.381 -1.150 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001194719610 782043571 /nfs/dbraw/zinc/04/35/71/782043571.db2.gz APBFLAXBSAFUMY-JHJVBQTASA-N 1 1 312.370 -1.640 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194720726 782044139 /nfs/dbraw/zinc/04/41/39/782044139.db2.gz NCPJINWIUWBOFI-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]2CCc3ncnn32)CC1 ZINC001194802456 782047388 /nfs/dbraw/zinc/04/73/88/782047388.db2.gz IZEPNHFHQDTWEB-NSHDSACASA-N 1 1 321.385 -1.032 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 ZINC001194712333 782044845 /nfs/dbraw/zinc/04/48/45/782044845.db2.gz VXUJEJIWJONGCB-BFHYXJOUSA-N 1 1 324.381 -1.422 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3cnccn3)cn2)[C@@H]2NCN[C@@H]21 ZINC001194733800 782044998 /nfs/dbraw/zinc/04/49/98/782044998.db2.gz MBBNQDRJPXWCNQ-UTUOFQBUSA-N 1 1 315.341 -2.205 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@H+](CCNC(=O)C2CC2)CC1 ZINC001194761418 782045855 /nfs/dbraw/zinc/04/58/55/782045855.db2.gz DWCMYUSXGVCQBG-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+](CCNC(=O)C2CC2)CC1 ZINC001194761418 782045860 /nfs/dbraw/zinc/04/58/60/782045860.db2.gz DWCMYUSXGVCQBG-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001194761654 782046694 /nfs/dbraw/zinc/04/66/94/782046694.db2.gz JHQXKAXEJWBJQR-GFCCVEGCSA-N 1 1 324.385 -1.553 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152157566 782049425 /nfs/dbraw/zinc/04/94/25/782049425.db2.gz VRTMZKNRPKVIMD-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001194915163 782049529 /nfs/dbraw/zinc/04/95/29/782049529.db2.gz XWBKKHQLXOJNJE-RKDXNWHRSA-N 1 1 300.315 -1.229 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194941391 782051164 /nfs/dbraw/zinc/05/11/64/782051164.db2.gz CITATRKFPRCPLC-NXEZZACHSA-N 1 1 312.313 -1.562 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194941391 782051170 /nfs/dbraw/zinc/05/11/70/782051170.db2.gz CITATRKFPRCPLC-NXEZZACHSA-N 1 1 312.313 -1.562 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000339681650 278645639 /nfs/dbraw/zinc/64/56/39/278645639.db2.gz NKUKXBRTRVCTCX-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)S(N)(=O)=O ZINC001194976099 782051419 /nfs/dbraw/zinc/05/14/19/782051419.db2.gz QYZVIBVFIXRWAJ-BBBLOLIVSA-N 1 1 309.388 -2.403 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)S(N)(=O)=O ZINC001194976099 782051422 /nfs/dbraw/zinc/05/14/22/782051422.db2.gz QYZVIBVFIXRWAJ-BBBLOLIVSA-N 1 1 309.388 -2.403 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194936842 782051504 /nfs/dbraw/zinc/05/15/04/782051504.db2.gz YBPIHEFYQZTXLN-LBPRGKRZSA-N 1 1 324.381 -1.196 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194936842 782051518 /nfs/dbraw/zinc/05/15/18/782051518.db2.gz YBPIHEFYQZTXLN-LBPRGKRZSA-N 1 1 324.381 -1.196 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)S(N)(=O)=O ZINC001194976058 782051784 /nfs/dbraw/zinc/05/17/84/782051784.db2.gz QHOJDHHFEUHIGK-MXWKQRLJSA-N 1 1 323.415 -2.013 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)S(N)(=O)=O ZINC001194976058 782051772 /nfs/dbraw/zinc/05/17/72/782051772.db2.gz QHOJDHHFEUHIGK-MXWKQRLJSA-N 1 1 323.415 -2.013 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001194976216 782052181 /nfs/dbraw/zinc/05/21/81/782052181.db2.gz VTWDLLWRNWQOHF-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001194976216 782052172 /nfs/dbraw/zinc/05/21/72/782052172.db2.gz VTWDLLWRNWQOHF-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001195013292 782052334 /nfs/dbraw/zinc/05/23/34/782052334.db2.gz XRBTXNJHJXBZLO-FXPVBKGRSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001195013292 782052345 /nfs/dbraw/zinc/05/23/45/782052345.db2.gz XRBTXNJHJXBZLO-FXPVBKGRSA-N 1 1 315.326 -1.535 20 0 DAADMO COC(=O)NCC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195045074 782052675 /nfs/dbraw/zinc/05/26/75/782052675.db2.gz SNXCTMHTENXGND-UHFFFAOYSA-N 1 1 303.359 -1.114 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194996405 782052795 /nfs/dbraw/zinc/05/27/95/782052795.db2.gz CETIHRGSMGXCID-GMTAPVOTSA-N 1 1 322.431 -1.752 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050299 782053010 /nfs/dbraw/zinc/05/30/10/782053010.db2.gz RSLIOMLBIZLXRK-QXFUBDJGSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050299 782053017 /nfs/dbraw/zinc/05/30/17/782053017.db2.gz RSLIOMLBIZLXRK-QXFUBDJGSA-N 1 1 302.356 -1.680 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1O ZINC001194998151 782053440 /nfs/dbraw/zinc/05/34/40/782053440.db2.gz YJRLVNITQVBCGM-GHMZBOCLSA-N 1 1 320.415 -1.832 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001194996764 782054034 /nfs/dbraw/zinc/05/40/34/782054034.db2.gz FWWMGXOFYWUXFV-GHMZBOCLSA-N 1 1 320.415 -1.998 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001195025280 782054655 /nfs/dbraw/zinc/05/46/55/782054655.db2.gz KNENNOUYYOGSJX-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001195025280 782054664 /nfs/dbraw/zinc/05/46/64/782054664.db2.gz KNENNOUYYOGSJX-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050714 782055654 /nfs/dbraw/zinc/05/56/54/782055654.db2.gz UZBSWJYDDTZQSR-MWLCHTKSSA-N 1 1 316.383 -1.024 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050714 782055661 /nfs/dbraw/zinc/05/56/61/782055661.db2.gz UZBSWJYDDTZQSR-MWLCHTKSSA-N 1 1 316.383 -1.024 20 0 DAADMO O=C(CNC(=O)Nc1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195128396 782055860 /nfs/dbraw/zinc/05/58/60/782055860.db2.gz IRGPOAHMIHCNHN-CHWSQXEVSA-N 1 1 322.365 -1.038 20 0 DAADMO COc1cncc(Cl)c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001195242546 782056836 /nfs/dbraw/zinc/05/68/36/782056836.db2.gz GVAVODAXOHVCGW-GARJFASQSA-N 1 1 312.761 -1.124 20 0 DAADMO COc1nccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1Cl ZINC001195199054 782057345 /nfs/dbraw/zinc/05/73/45/782057345.db2.gz ZDZHDDOXKBXOQS-LPEHRKFASA-N 1 1 312.761 -1.124 20 0 DAADMO COc1nccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1Cl ZINC001195199053 782057376 /nfs/dbraw/zinc/05/73/76/782057376.db2.gz ZDZHDDOXKBXOQS-KXUCPTDWSA-N 1 1 312.761 -1.124 20 0 DAADMO COc1cncc(Cl)c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001195242545 782057873 /nfs/dbraw/zinc/05/78/73/782057873.db2.gz GVAVODAXOHVCGW-DCAQKATOSA-N 1 1 312.761 -1.124 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001195172909 782058129 /nfs/dbraw/zinc/05/81/29/782058129.db2.gz XEXXIBSFFCJJRA-HBNTYKKESA-N 1 1 301.387 -1.309 20 0 DAADMO CC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195237223 782057979 /nfs/dbraw/zinc/05/79/79/782057979.db2.gz JCQMAMUDUSWKFO-JHZNUDOXSA-N 1 1 324.425 -1.064 20 0 DAADMO COc1cncc(Cl)c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001195242547 782058069 /nfs/dbraw/zinc/05/80/69/782058069.db2.gz GVAVODAXOHVCGW-OUAUKWLOSA-N 1 1 312.761 -1.124 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195172909 782058141 /nfs/dbraw/zinc/05/81/41/782058141.db2.gz XEXXIBSFFCJJRA-HBNTYKKESA-N 1 1 301.387 -1.309 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195263539 782058969 /nfs/dbraw/zinc/05/89/69/782058969.db2.gz ZYYKEFNBWXKZJU-OASPWFOLSA-N 1 1 323.397 -1.099 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195263539 782058982 /nfs/dbraw/zinc/05/89/82/782058982.db2.gz ZYYKEFNBWXKZJU-OASPWFOLSA-N 1 1 323.397 -1.099 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CC(=O)NC(N)=O)CC1 ZINC001195267239 782059179 /nfs/dbraw/zinc/05/91/79/782059179.db2.gz HAKKOIBOSIEIJT-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195270160 782059277 /nfs/dbraw/zinc/05/92/77/782059277.db2.gz BFPXKMDGZFTKFU-IJLUTSLNSA-N 1 1 315.370 -2.053 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195270160 782059287 /nfs/dbraw/zinc/05/92/87/782059287.db2.gz BFPXKMDGZFTKFU-IJLUTSLNSA-N 1 1 315.370 -2.053 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195272598 782059459 /nfs/dbraw/zinc/05/94/59/782059459.db2.gz VPGBDPDTNSHHPF-MWLCHTKSSA-N 1 1 314.342 -2.091 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195272598 782059470 /nfs/dbraw/zinc/05/94/70/782059470.db2.gz VPGBDPDTNSHHPF-MWLCHTKSSA-N 1 1 314.342 -2.091 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195272692 782059570 /nfs/dbraw/zinc/05/95/70/782059570.db2.gz YDAHYCBBIWUETJ-OPRDCNLKSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195272692 782059579 /nfs/dbraw/zinc/05/95/79/782059579.db2.gz YDAHYCBBIWUETJ-OPRDCNLKSA-N 1 1 321.324 -1.435 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)NC1=O ZINC001195272376 782059648 /nfs/dbraw/zinc/05/96/48/782059648.db2.gz TVNMGNHAWGDOGW-OUAUKWLOSA-N 1 1 316.358 -2.820 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)NC1=O ZINC001195272376 782059662 /nfs/dbraw/zinc/05/96/62/782059662.db2.gz TVNMGNHAWGDOGW-OUAUKWLOSA-N 1 1 316.358 -2.820 20 0 DAADMO CCOCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152202816 782061596 /nfs/dbraw/zinc/06/15/96/782061596.db2.gz QNWQMPOQZWUWPM-JTQLQIEISA-N 1 1 300.363 -1.143 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001195278448 782062212 /nfs/dbraw/zinc/06/22/12/782062212.db2.gz UYUMUNVJKXHSGU-OUAUKWLOSA-N 1 1 300.359 -1.792 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1C(F)F ZINC001195282423 782062255 /nfs/dbraw/zinc/06/22/55/782062255.db2.gz GPKQDTLGIVSQPT-JMOVZRAMSA-N 1 1 301.301 -1.510 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(C)(C)O ZINC000188622292 300132667 /nfs/dbraw/zinc/13/26/67/300132667.db2.gz WBFAZRLQNFHNJD-NSHDSACASA-N 1 1 311.386 -1.115 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001195404776 782067632 /nfs/dbraw/zinc/06/76/32/782067632.db2.gz SERHLWZCASQZTP-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195379793 782067710 /nfs/dbraw/zinc/06/77/10/782067710.db2.gz ADVUQWKWYZKYMH-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195379793 782067716 /nfs/dbraw/zinc/06/77/16/782067716.db2.gz ADVUQWKWYZKYMH-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001195423337 782068604 /nfs/dbraw/zinc/06/86/04/782068604.db2.gz UXLSYVITFDVUKD-ITGHMWBKSA-N 1 1 314.382 -1.297 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001195423337 782068615 /nfs/dbraw/zinc/06/86/15/782068615.db2.gz UXLSYVITFDVUKD-ITGHMWBKSA-N 1 1 314.382 -1.297 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC001195515864 782069501 /nfs/dbraw/zinc/06/95/01/782069501.db2.gz RGOHTXCQEDOKIX-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC001195639269 782072803 /nfs/dbraw/zinc/07/28/03/782072803.db2.gz FBLSMFSNWFBMAE-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)c(CO)c(F)c2)[C@@H]2NCN[C@@H]21 ZINC001195638344 782072940 /nfs/dbraw/zinc/07/29/40/782072940.db2.gz ZFLDGDLFGURNRW-UTUOFQBUSA-N 1 1 313.308 -1.410 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195561561 782073370 /nfs/dbraw/zinc/07/33/70/782073370.db2.gz SRWLLPRYIIDWJB-IJLUTSLNSA-N 1 1 315.370 -2.223 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195561561 782073380 /nfs/dbraw/zinc/07/33/80/782073380.db2.gz SRWLLPRYIIDWJB-IJLUTSLNSA-N 1 1 315.370 -2.223 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195625068 782073438 /nfs/dbraw/zinc/07/34/38/782073438.db2.gz DRRVHENIVUZABB-NSHDSACASA-N 1 1 302.375 -1.414 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001195647836 782075404 /nfs/dbraw/zinc/07/54/04/782075404.db2.gz LPNFDTIJNGOMPI-GHMZBOCLSA-N 1 1 312.326 -2.446 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001195647836 782075410 /nfs/dbraw/zinc/07/54/10/782075410.db2.gz LPNFDTIJNGOMPI-GHMZBOCLSA-N 1 1 312.326 -2.446 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001195654048 782075456 /nfs/dbraw/zinc/07/54/56/782075456.db2.gz LAXRZAKCTCFZMR-IACUBPJLSA-N 1 1 324.381 -1.003 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195691189 782075620 /nfs/dbraw/zinc/07/56/20/782075620.db2.gz JXKGPOASGNNOLZ-DJLDLDEBSA-N 1 1 322.312 -1.889 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195691189 782075629 /nfs/dbraw/zinc/07/56/29/782075629.db2.gz JXKGPOASGNNOLZ-DJLDLDEBSA-N 1 1 322.312 -1.889 20 0 DAADMO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001195849534 782082261 /nfs/dbraw/zinc/08/22/61/782082261.db2.gz AYHUVYOSEZUNRL-ZIAGYGMSSA-N 1 1 322.409 -1.002 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001195783538 782083357 /nfs/dbraw/zinc/08/33/57/782083357.db2.gz OOXSCDOPEFXXPH-GHMZBOCLSA-N 1 1 307.354 -1.690 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001195783538 782083365 /nfs/dbraw/zinc/08/33/65/782083365.db2.gz OOXSCDOPEFXXPH-GHMZBOCLSA-N 1 1 307.354 -1.690 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195649093 782075876 /nfs/dbraw/zinc/07/58/76/782075876.db2.gz ZSDALIBGYNTBAV-RAIGVLPGSA-N 1 1 312.370 -1.005 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC001195727227 782076310 /nfs/dbraw/zinc/07/63/10/782076310.db2.gz HZKWFMHKMRAPPM-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC001195727227 782076316 /nfs/dbraw/zinc/07/63/16/782076316.db2.gz HZKWFMHKMRAPPM-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195692157 782076411 /nfs/dbraw/zinc/07/64/11/782076411.db2.gz WXUCGZAPFDPGKW-IVZWLZJFSA-N 1 1 302.331 -3.162 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195692157 782076415 /nfs/dbraw/zinc/07/64/15/782076415.db2.gz WXUCGZAPFDPGKW-IVZWLZJFSA-N 1 1 302.331 -3.162 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195692296 782076585 /nfs/dbraw/zinc/07/65/85/782076585.db2.gz YTOBJUXQVIBBLP-IJLUTSLNSA-N 1 1 314.386 -1.498 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195692296 782076608 /nfs/dbraw/zinc/07/66/08/782076608.db2.gz YTOBJUXQVIBBLP-IJLUTSLNSA-N 1 1 314.386 -1.498 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195716862 782076681 /nfs/dbraw/zinc/07/66/81/782076681.db2.gz BHJAMOYAPORXPD-NXEZZACHSA-N 1 1 302.331 -3.214 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195716862 782076688 /nfs/dbraw/zinc/07/66/88/782076688.db2.gz BHJAMOYAPORXPD-NXEZZACHSA-N 1 1 302.331 -3.214 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195692158 782077626 /nfs/dbraw/zinc/07/76/26/782077626.db2.gz WXUCGZAPFDPGKW-OPRDCNLKSA-N 1 1 302.331 -3.162 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195692158 782077636 /nfs/dbraw/zinc/07/76/36/782077636.db2.gz WXUCGZAPFDPGKW-OPRDCNLKSA-N 1 1 302.331 -3.162 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195717534 782077956 /nfs/dbraw/zinc/07/79/56/782077956.db2.gz IIHCELVHGYKWDX-HBNTYKKESA-N 1 1 300.359 -1.744 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195717899 782078322 /nfs/dbraw/zinc/07/83/22/782078322.db2.gz LWZVTWSTNFDFCX-QJPTWQEYSA-N 1 1 314.386 -1.354 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195718368 782079220 /nfs/dbraw/zinc/07/92/20/782079220.db2.gz VYBRJNVAHKEIOL-IJLUTSLNSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195718368 782079227 /nfs/dbraw/zinc/07/92/27/782079227.db2.gz VYBRJNVAHKEIOL-IJLUTSLNSA-N 1 1 312.370 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001195718408 782079380 /nfs/dbraw/zinc/07/93/80/782079380.db2.gz XVTSBZQZHTWGPG-HBNTYKKESA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195718425 782079670 /nfs/dbraw/zinc/07/96/70/782079670.db2.gz YLJGSVDDUWTCSI-IJLUTSLNSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195718425 782079681 /nfs/dbraw/zinc/07/96/81/782079681.db2.gz YLJGSVDDUWTCSI-IJLUTSLNSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195783277 782080254 /nfs/dbraw/zinc/08/02/54/782080254.db2.gz HEBRWNBIXNRAOI-NXEZZACHSA-N 1 1 301.343 -2.578 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001195783277 782080262 /nfs/dbraw/zinc/08/02/62/782080262.db2.gz HEBRWNBIXNRAOI-NXEZZACHSA-N 1 1 301.343 -2.578 20 0 DAADMO C[C@H](CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853887 782084443 /nfs/dbraw/zinc/08/44/43/782084443.db2.gz PSUXUQFXEYKYBE-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853887 782084455 /nfs/dbraw/zinc/08/44/55/782084455.db2.gz PSUXUQFXEYKYBE-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829593 782084479 /nfs/dbraw/zinc/08/44/79/782084479.db2.gz QHYVLFYDMLJUNH-BFHYXJOUSA-N 1 1 315.414 -1.503 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)[nH]c1=O ZINC001195842227 782084156 /nfs/dbraw/zinc/08/41/56/782084156.db2.gz KGSAWIGUKQLPMO-MWLCHTKSSA-N 1 1 314.342 -2.091 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)[nH]c1=O ZINC001195842227 782084163 /nfs/dbraw/zinc/08/41/63/782084163.db2.gz KGSAWIGUKQLPMO-MWLCHTKSSA-N 1 1 314.342 -2.091 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195854100 782085066 /nfs/dbraw/zinc/08/50/66/782085066.db2.gz VLPIALCKADCJQN-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H](CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853892 782085371 /nfs/dbraw/zinc/08/53/71/782085371.db2.gz PSUXUQFXEYKYBE-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853892 782085380 /nfs/dbraw/zinc/08/53/80/782085380.db2.gz PSUXUQFXEYKYBE-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001195854101 782086211 /nfs/dbraw/zinc/08/62/11/782086211.db2.gz VLPIALCKADCJQN-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001195939784 782086721 /nfs/dbraw/zinc/08/67/21/782086721.db2.gz GGDYFOSHUNLUOG-OXIWPEFWSA-N 1 1 315.370 -2.176 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001195876073 782086957 /nfs/dbraw/zinc/08/69/57/782086957.db2.gz GCDADQFRQLEQOR-YVECIDJPSA-N 1 1 302.371 -1.418 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196114733 782091657 /nfs/dbraw/zinc/09/16/57/782091657.db2.gz ADAFOZDWAUGAFW-GHMZBOCLSA-N 1 1 314.361 -1.077 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1(CF)CC1 ZINC001196114733 782091666 /nfs/dbraw/zinc/09/16/66/782091666.db2.gz ADAFOZDWAUGAFW-GHMZBOCLSA-N 1 1 314.361 -1.077 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001196067337 782090666 /nfs/dbraw/zinc/09/06/66/782090666.db2.gz VGWKBYYMMKRPOR-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001196041001 782092388 /nfs/dbraw/zinc/09/23/88/782092388.db2.gz URVJZTMJOUQEBM-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001196169270 782094927 /nfs/dbraw/zinc/09/49/27/782094927.db2.gz PXKKZWCRKWIZEB-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000410529910 332151216 /nfs/dbraw/zinc/15/12/16/332151216.db2.gz RGRXHOOUCMXDHB-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=S(=O)(NC[C@H]1CCCC[N@H+]1CCO)N1CCOCC1 ZINC000560320097 332330384 /nfs/dbraw/zinc/33/03/84/332330384.db2.gz MCYCUVSSDSYNQE-GFCCVEGCSA-N 1 1 307.416 -1.000 20 0 DAADMO O=S(=O)(NC[C@H]1CCCC[N@@H+]1CCO)N1CCOCC1 ZINC000560320097 332330385 /nfs/dbraw/zinc/33/03/85/332330385.db2.gz MCYCUVSSDSYNQE-GFCCVEGCSA-N 1 1 307.416 -1.000 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000580342369 335114002 /nfs/dbraw/zinc/11/40/02/335114002.db2.gz ZANZYCKZCWVVLV-NWDGAFQWSA-N 1 1 309.432 -1.451 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001196268315 782095863 /nfs/dbraw/zinc/09/58/63/782095863.db2.gz RDGSAXKRDXQRSG-QNWHQSFQSA-N 1 1 303.403 -1.505 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571524740 333814708 /nfs/dbraw/zinc/81/47/08/333814708.db2.gz CAMXFBMWQFUJBO-JTQLQIEISA-N 1 1 316.383 -2.289 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000340929166 334394443 /nfs/dbraw/zinc/39/44/43/334394443.db2.gz MRKBOLPGHQKTNN-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000340929166 334394444 /nfs/dbraw/zinc/39/44/44/334394444.db2.gz MRKBOLPGHQKTNN-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)C(C)(C)CN1CCOCC1 ZINC000334019024 336215824 /nfs/dbraw/zinc/21/58/24/336215824.db2.gz CDPDMFLIJUFXKT-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)C(C)(C)CN1CCOCC1 ZINC000334019024 336215825 /nfs/dbraw/zinc/21/58/25/336215825.db2.gz CDPDMFLIJUFXKT-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196338300 782100924 /nfs/dbraw/zinc/10/09/24/782100924.db2.gz GOPYOXZDRPBOMH-BFHYXJOUSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196338300 782100928 /nfs/dbraw/zinc/10/09/28/782100928.db2.gz GOPYOXZDRPBOMH-BFHYXJOUSA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC001196338958 782101103 /nfs/dbraw/zinc/10/11/03/782101103.db2.gz MVKGPFMEMPTBNX-RAIGVLPGSA-N 1 1 322.365 -1.647 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[N@H+](C[C@@H](C)O)CC1 ZINC001196324900 782101393 /nfs/dbraw/zinc/10/13/93/782101393.db2.gz CQPZZHWVSZQNBS-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196320950 782102010 /nfs/dbraw/zinc/10/20/10/782102010.db2.gz QOISMWJUXPADKJ-CYZMBNFOSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196320950 782102014 /nfs/dbraw/zinc/10/20/14/782102014.db2.gz QOISMWJUXPADKJ-CYZMBNFOSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196320950 782102017 /nfs/dbraw/zinc/10/20/17/782102017.db2.gz QOISMWJUXPADKJ-CYZMBNFOSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196320950 782102020 /nfs/dbraw/zinc/10/20/20/782102020.db2.gz QOISMWJUXPADKJ-CYZMBNFOSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196320950 782102025 /nfs/dbraw/zinc/10/20/25/782102025.db2.gz QOISMWJUXPADKJ-CYZMBNFOSA-N 1 1 309.370 -1.065 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001196429501 782104160 /nfs/dbraw/zinc/10/41/60/782104160.db2.gz OQEWYVFEORICRM-IVZWLZJFSA-N 1 1 311.379 -1.555 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196429667 782104208 /nfs/dbraw/zinc/10/42/08/782104208.db2.gz PGJSERKRMYHXRL-JMJZKYOTSA-N 1 1 305.400 -1.505 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196490769 782105289 /nfs/dbraw/zinc/10/52/89/782105289.db2.gz UUAXROHOEJSYMW-NXEZZACHSA-N 1 1 324.403 -3.074 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001196582064 782105958 /nfs/dbraw/zinc/10/59/58/782105958.db2.gz YRQHGRUIGHJGMU-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCOC2)C1 ZINC001196550018 782106383 /nfs/dbraw/zinc/10/63/83/782106383.db2.gz FHELHZHMJAQZNZ-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C)CCN1C[C@@H](O)CN1CCOCC1 ZINC001251022701 782107749 /nfs/dbraw/zinc/10/77/49/782107749.db2.gz GIAVNSJRHXCFPY-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)CN1CCOCC1 ZINC001251022701 782107752 /nfs/dbraw/zinc/10/77/52/782107752.db2.gz GIAVNSJRHXCFPY-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO CCOCC[N@H+]1CCCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001196649354 782108366 /nfs/dbraw/zinc/10/83/66/782108366.db2.gz SJHHKXQJOMVQIG-UHFFFAOYSA-N 1 1 322.431 -1.389 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196214734 782096445 /nfs/dbraw/zinc/09/64/45/782096445.db2.gz JOUYAUVBXIRHEW-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196313129 782097966 /nfs/dbraw/zinc/09/79/66/782097966.db2.gz CFHDHPBJPDXSPK-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001196235555 782098108 /nfs/dbraw/zinc/09/81/08/782098108.db2.gz YBHPEAKXRJVLJG-JHJVBQTASA-N 1 1 312.370 -1.640 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(N3CCCC3)n2)[C@H]2NCN[C@@H]21 ZINC001196679828 782109291 /nfs/dbraw/zinc/10/92/91/782109291.db2.gz SUWCOUGZVTYHBN-MGPQQGTHSA-N 1 1 317.397 -1.186 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000582710650 337123542 /nfs/dbraw/zinc/12/35/42/337123542.db2.gz LXLKYUYBIJNSPE-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)C1 ZINC000582868706 337209160 /nfs/dbraw/zinc/20/91/60/337209160.db2.gz JPBSIQHTSUVSIX-MCIONIFRSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)C1 ZINC000582868706 337209161 /nfs/dbraw/zinc/20/91/61/337209161.db2.gz JPBSIQHTSUVSIX-MCIONIFRSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)CN(C)C)CC1 ZINC000582853790 337210673 /nfs/dbraw/zinc/21/06/73/337210673.db2.gz LXLKULGJCFIQBQ-CQSZACIVSA-N 1 1 316.446 -1.369 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)CN(C)C)CC1 ZINC000582853790 337210674 /nfs/dbraw/zinc/21/06/74/337210674.db2.gz LXLKULGJCFIQBQ-CQSZACIVSA-N 1 1 316.446 -1.369 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000583088602 337236369 /nfs/dbraw/zinc/23/63/69/337236369.db2.gz OHBXLFCMIDWFFF-UHFFFAOYSA-N 1 1 310.420 -1.845 20 0 DAADMO C[NH2+][C@@H](C(=O)NCCNC(=O)c1ccn[nH]1)c1cnn(C)c1 ZINC000583141566 337244808 /nfs/dbraw/zinc/24/48/08/337244808.db2.gz HPQKIOGVOZZCSR-LLVKDONJSA-N 1 1 305.342 -1.050 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1=O ZINC000584586775 337369681 /nfs/dbraw/zinc/36/96/81/337369681.db2.gz YGSSZWQPCVSYFZ-VHSXEESVSA-N 1 1 308.338 -1.040 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)N1 ZINC000419774461 337492005 /nfs/dbraw/zinc/49/20/05/337492005.db2.gz JUVZDOTTZWSCFI-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1)S(N)(=O)=O ZINC000542876354 341024711 /nfs/dbraw/zinc/02/47/11/341024711.db2.gz BLUAQIFDKLYKEV-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CCO1 ZINC000543847233 341061364 /nfs/dbraw/zinc/06/13/64/341061364.db2.gz XAFFHNDZGXZRQA-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CCO1 ZINC000543847233 341061365 /nfs/dbraw/zinc/06/13/65/341061365.db2.gz XAFFHNDZGXZRQA-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)S(C)(=O)=O ZINC000551719973 341349938 /nfs/dbraw/zinc/34/99/38/341349938.db2.gz IGHLOSWYSLNBAR-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000551719973 341349939 /nfs/dbraw/zinc/34/99/39/341349939.db2.gz IGHLOSWYSLNBAR-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO CNC(=O)[C@@H](C)CN(C)CC(O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000248733532 341385398 /nfs/dbraw/zinc/38/53/98/341385398.db2.gz LZYOVHCSMZWUDE-RYUDHWBXSA-N 1 1 316.446 -1.025 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000552447663 341394249 /nfs/dbraw/zinc/39/42/49/341394249.db2.gz WJMZHYMOLAQWAL-UHFFFAOYSA-N 1 1 301.372 -1.111 20 0 DAADMO CO[C@@H]1COC[C@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000573440143 341728581 /nfs/dbraw/zinc/72/85/81/341728581.db2.gz BSWRBSAQXBZEHJ-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](C(=O)NCC(=O)NCCN1CCOCC1)[NH+]1CC(C)C1 ZINC000577003195 341875110 /nfs/dbraw/zinc/87/51/10/341875110.db2.gz NXBCOTPOQXRLTG-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196773638 782111963 /nfs/dbraw/zinc/11/19/63/782111963.db2.gz WADLTMODMNYXLJ-MXWKQRLJSA-N 1 1 323.415 -2.286 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196773638 782111969 /nfs/dbraw/zinc/11/19/69/782111969.db2.gz WADLTMODMNYXLJ-MXWKQRLJSA-N 1 1 323.415 -2.286 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C(C)C ZINC001196757281 782112387 /nfs/dbraw/zinc/11/23/87/782112387.db2.gz FWENLLNZXGSMML-WZRBSPASSA-N 1 1 317.386 -2.073 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(C)C ZINC001196757281 782112392 /nfs/dbraw/zinc/11/23/92/782112392.db2.gz FWENLLNZXGSMML-WZRBSPASSA-N 1 1 317.386 -2.073 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001196891561 782113500 /nfs/dbraw/zinc/11/35/00/782113500.db2.gz AADKLHDRTGCTAW-GHMZBOCLSA-N 1 1 313.354 -1.763 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977622 782116118 /nfs/dbraw/zinc/11/61/18/782116118.db2.gz QLNYVZLWOZPUSM-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977619 782116440 /nfs/dbraw/zinc/11/64/40/782116440.db2.gz QLNYVZLWOZPUSM-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)CC1 ZINC001196905654 782116463 /nfs/dbraw/zinc/11/64/63/782116463.db2.gz XTPXDOXLJBLUFI-GMTAPVOTSA-N 1 1 315.370 -2.319 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196969684 782116774 /nfs/dbraw/zinc/11/67/74/782116774.db2.gz MVFWQQVDUDFNNM-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196969684 782116780 /nfs/dbraw/zinc/11/67/80/782116780.db2.gz MVFWQQVDUDFNNM-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO O=C(CCCCN1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196939874 782118269 /nfs/dbraw/zinc/11/82/69/782118269.db2.gz MEJXZWMGIRUFJP-ZIAGYGMSSA-N 1 1 315.414 -1.358 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001196946576 782117673 /nfs/dbraw/zinc/11/76/73/782117673.db2.gz MHIODEROHBZTAA-QJPTWQEYSA-N 1 1 314.386 -1.674 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001196940978 782119022 /nfs/dbraw/zinc/11/90/22/782119022.db2.gz YQMQBGQJKDAQOC-YNEHKIRRSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196978288 782119735 /nfs/dbraw/zinc/11/97/35/782119735.db2.gz YUSFAZVFAVAWLX-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196978288 782119740 /nfs/dbraw/zinc/11/97/40/782119740.db2.gz YUSFAZVFAVAWLX-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](CCOCCO)CC1 ZINC001196963245 782118825 /nfs/dbraw/zinc/11/88/25/782118825.db2.gz PFYISKSGGUHDJM-LLVKDONJSA-N 1 1 300.359 -1.789 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c(C)n1 ZINC001197017802 782120084 /nfs/dbraw/zinc/12/00/84/782120084.db2.gz INMXYBUEZWPHDV-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c(C)n1 ZINC001197017802 782120088 /nfs/dbraw/zinc/12/00/88/782120088.db2.gz INMXYBUEZWPHDV-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001197000834 782120946 /nfs/dbraw/zinc/12/09/46/782120946.db2.gz MDNKKANQZQVRQD-VXGBXAGGSA-N 1 1 324.381 -1.112 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001196985948 782121005 /nfs/dbraw/zinc/12/10/05/782121005.db2.gz UBXUJHMCFQXTEX-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO COC(=O)c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccn1 ZINC001197057226 782121605 /nfs/dbraw/zinc/12/16/05/782121605.db2.gz SPBPHUGEJIVEKK-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001197130760 782123636 /nfs/dbraw/zinc/12/36/36/782123636.db2.gz MXFKNEWLVUHZNE-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001197130760 782123653 /nfs/dbraw/zinc/12/36/53/782123653.db2.gz MXFKNEWLVUHZNE-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(C3CCOCC3)c2)[C@H]2NCN[C@H]21 ZINC001197126316 782125069 /nfs/dbraw/zinc/12/50/69/782125069.db2.gz IUDYPVZWYWWMCB-YNEHKIRRSA-N 1 1 321.385 -1.633 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(C3CCOCC3)c2)[C@H]2NCN[C@@H]21 ZINC001197126313 782125940 /nfs/dbraw/zinc/12/59/40/782125940.db2.gz IUDYPVZWYWWMCB-JHJVBQTASA-N 1 1 321.385 -1.633 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001197156315 782125702 /nfs/dbraw/zinc/12/57/02/782125702.db2.gz VAICAGCPIUNYKN-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001197172728 782127158 /nfs/dbraw/zinc/12/71/58/782127158.db2.gz SQMYODIJZFCLDL-JHJVBQTASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001197172847 782127541 /nfs/dbraw/zinc/12/75/41/782127541.db2.gz VMAVWSXCGGHERH-YNEHKIRRSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171338 782127629 /nfs/dbraw/zinc/12/76/29/782127629.db2.gz HJLDPFGPUHRKGM-QJPTWQEYSA-N 1 1 312.374 -1.615 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001197171075 782127822 /nfs/dbraw/zinc/12/78/22/782127822.db2.gz DPCCLSWHOARLHA-JHJVBQTASA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197277374 782129107 /nfs/dbraw/zinc/12/91/07/782129107.db2.gz FEJHZXJXEOSXSD-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319401 782128440 /nfs/dbraw/zinc/12/84/40/782128440.db2.gz DCHJVDMAGASTGH-MRVWCRGKSA-N 1 1 315.414 -1.361 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCCOC1 ZINC001197253510 782128535 /nfs/dbraw/zinc/12/85/35/782128535.db2.gz LFPKZDBAIUXCJJ-UMVBOHGHSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCCOC1 ZINC001197253510 782128541 /nfs/dbraw/zinc/12/85/41/782128541.db2.gz LFPKZDBAIUXCJJ-UMVBOHGHSA-N 1 1 316.398 -1.027 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296563 782129198 /nfs/dbraw/zinc/12/91/98/782129198.db2.gz NDZLZSHAJMWZAC-QJPTWQEYSA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296563 782129206 /nfs/dbraw/zinc/12/92/06/782129206.db2.gz NDZLZSHAJMWZAC-QJPTWQEYSA-N 1 1 315.370 -2.319 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230787 782129377 /nfs/dbraw/zinc/12/93/77/782129377.db2.gz ZAVDJXSJIRUMLR-HTQZYQBOSA-N 1 1 313.276 -1.527 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230787 782129384 /nfs/dbraw/zinc/12/93/84/782129384.db2.gz ZAVDJXSJIRUMLR-HTQZYQBOSA-N 1 1 313.276 -1.527 20 0 DAADMO C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319400 782129782 /nfs/dbraw/zinc/12/97/82/782129782.db2.gz DCHJVDMAGASTGH-IACUBPJLSA-N 1 1 315.414 -1.361 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334632 782130388 /nfs/dbraw/zinc/13/03/88/782130388.db2.gz XHATYCUNXLSLCD-YNEHKIRRSA-N 1 1 324.381 -1.170 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334631 782130491 /nfs/dbraw/zinc/13/04/91/782130491.db2.gz XHATYCUNXLSLCD-JHJVBQTASA-N 1 1 324.381 -1.170 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001197283407 782130601 /nfs/dbraw/zinc/13/06/01/782130601.db2.gz LYUWEGNERRLLCT-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197333785 782130718 /nfs/dbraw/zinc/13/07/18/782130718.db2.gz GGLYXJYJRCEPCE-VXGBXAGGSA-N 1 1 310.354 -1.559 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[N@@H+](CCCO)CC1)C(N)=O ZINC001197354332 782130737 /nfs/dbraw/zinc/13/07/37/782130737.db2.gz RWHYHKMUHCDSKM-LBPRGKRZSA-N 1 1 314.386 -1.717 20 0 DAADMO O=C(CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)NCC(F)(F)F ZINC001197334296 782131504 /nfs/dbraw/zinc/13/15/04/782131504.db2.gz NZGYCACDXFMDJR-HTQZYQBOSA-N 1 1 313.276 -1.791 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[N@H+](C[C@@H](C)O)CC1)C(N)=O ZINC001197353636 782131517 /nfs/dbraw/zinc/13/15/17/782131517.db2.gz DVVUYXAITDGAIO-PWSUYJOCSA-N 1 1 314.386 -1.718 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197387285 782131742 /nfs/dbraw/zinc/13/17/42/782131742.db2.gz BKLRIOMPJLNVIX-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197373961 782132694 /nfs/dbraw/zinc/13/26/94/782132694.db2.gz DKOBACLHLGKLHF-VXGBXAGGSA-N 1 1 314.342 -1.909 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197373961 782132700 /nfs/dbraw/zinc/13/27/00/782132700.db2.gz DKOBACLHLGKLHF-VXGBXAGGSA-N 1 1 314.342 -1.909 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001197536508 782133814 /nfs/dbraw/zinc/13/38/14/782133814.db2.gz WEDSTUXYCPFDPI-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001197536508 782133817 /nfs/dbraw/zinc/13/38/17/782133817.db2.gz WEDSTUXYCPFDPI-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001197529080 782134428 /nfs/dbraw/zinc/13/44/28/782134428.db2.gz YJZGDDKMMXXEBR-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536027 782134442 /nfs/dbraw/zinc/13/44/42/782134442.db2.gz HQXXHCQUIONIIX-JHJVBQTASA-N 1 1 314.430 -1.034 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197536679 782134831 /nfs/dbraw/zinc/13/48/31/782134831.db2.gz ZSMCNGHIRKQYMK-QJPTWQEYSA-N 1 1 300.403 -1.376 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001197536507 782134937 /nfs/dbraw/zinc/13/49/37/782134937.db2.gz WEDSTUXYCPFDPI-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001197536507 782134944 /nfs/dbraw/zinc/13/49/44/782134944.db2.gz WEDSTUXYCPFDPI-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001197528559 782135270 /nfs/dbraw/zinc/13/52/70/782135270.db2.gz NZBZGSVWGKOQPD-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197551984 782136002 /nfs/dbraw/zinc/13/60/02/782136002.db2.gz VKCXPPTYBXFCHY-PSASIEDQSA-N 1 1 314.367 -1.974 20 0 DAADMO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001197650166 782136598 /nfs/dbraw/zinc/13/65/98/782136598.db2.gz KBAJZRRLYSWYRS-CHWSQXEVSA-N 1 1 311.386 -1.171 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197620193 782136980 /nfs/dbraw/zinc/13/69/80/782136980.db2.gz OJFTYOAAYOETNO-CHWSQXEVSA-N 1 1 307.350 -1.171 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001197627970 782137124 /nfs/dbraw/zinc/13/71/24/782137124.db2.gz YVLUKHWFPMIAOK-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001197587610 782137361 /nfs/dbraw/zinc/13/73/61/782137361.db2.gz FFXMNSAWRAVJLQ-IVZWLZJFSA-N 1 1 311.346 -2.641 20 0 DAADMO O=C(CCOC1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197667243 782139424 /nfs/dbraw/zinc/13/94/24/782139424.db2.gz RVNGQLGBCFNNFJ-CHWSQXEVSA-N 1 1 302.371 -1.274 20 0 DAADMO COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826016 782141704 /nfs/dbraw/zinc/14/17/04/782141704.db2.gz MDYGCNBGKCSMIN-YNEHKIRRSA-N 1 1 303.403 -1.239 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197774975 782141015 /nfs/dbraw/zinc/14/10/15/782141015.db2.gz CAYLJDGHQPXLJX-JHJVBQTASA-N 1 1 312.370 -1.869 20 0 DAADMO CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825780 782142955 /nfs/dbraw/zinc/14/29/55/782142955.db2.gz IJCNBYMZHHNHPN-JHJVBQTASA-N 1 1 303.403 -1.239 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3ncccn3)c2)[C@H]2NCN[C@@H]21 ZINC001197842096 782141968 /nfs/dbraw/zinc/14/19/68/782141968.db2.gz FLZSAMXULKZNCU-GMTAPVOTSA-N 1 1 315.341 -2.205 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3ncccn3)c2)[C@@H]2NCN[C@H]21 ZINC001197842095 782142395 /nfs/dbraw/zinc/14/23/95/782142395.db2.gz FLZSAMXULKZNCU-AXFHLTTASA-N 1 1 315.341 -2.205 20 0 DAADMO CCS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001152384559 782143509 /nfs/dbraw/zinc/14/35/09/782143509.db2.gz TYJUGAVZAXRABE-UHFFFAOYSA-N 1 1 318.355 -1.246 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926441 782144536 /nfs/dbraw/zinc/14/45/36/782144536.db2.gz LXILQLHNKLKTCU-HBNTYKKESA-N 1 1 301.343 -2.565 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926441 782144539 /nfs/dbraw/zinc/14/45/39/782144539.db2.gz LXILQLHNKLKTCU-HBNTYKKESA-N 1 1 301.343 -2.565 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001198029278 782147861 /nfs/dbraw/zinc/14/78/61/782147861.db2.gz SAWMJKLBLVZQDY-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197985060 782147579 /nfs/dbraw/zinc/14/75/79/782147579.db2.gz YAHQCFGUUPEXFX-JHJVBQTASA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197985060 782147582 /nfs/dbraw/zinc/14/75/82/782147582.db2.gz YAHQCFGUUPEXFX-JHJVBQTASA-N 1 1 301.387 -1.309 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409701 782149220 /nfs/dbraw/zinc/14/92/20/782149220.db2.gz MSQKFBOGCQGCFO-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)C1 ZINC001198098550 782148650 /nfs/dbraw/zinc/14/86/50/782148650.db2.gz ZSPDRJAOVRNZKK-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001198134682 782148904 /nfs/dbraw/zinc/14/89/04/782148904.db2.gz YYHSIECEFUSVIQ-RAIGVLPGSA-N 1 1 312.370 -1.571 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268348 782151075 /nfs/dbraw/zinc/15/10/75/782151075.db2.gz FHFGITRXRPEQRX-IVZWLZJFSA-N 1 1 309.388 -2.580 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268348 782151084 /nfs/dbraw/zinc/15/10/84/782151084.db2.gz FHFGITRXRPEQRX-IVZWLZJFSA-N 1 1 309.388 -2.580 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1ncccn1 ZINC001152420920 782151338 /nfs/dbraw/zinc/15/13/38/782151338.db2.gz MJVROHCZVZAAQK-SECBINFHSA-N 1 1 318.341 -1.366 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001198268303 782151775 /nfs/dbraw/zinc/15/17/75/782151775.db2.gz BNBQUZUCGAWYKF-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001198268303 782151778 /nfs/dbraw/zinc/15/17/78/782151778.db2.gz BNBQUZUCGAWYKF-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccn2CC(F)(F)F)[C@@H]2NCN[C@H]21 ZINC001198311343 782153150 /nfs/dbraw/zinc/15/31/50/782153150.db2.gz OFVCDJPVHCYFPH-RNJXMRFFSA-N 1 1 319.291 -1.422 20 0 DAADMO CCOCC[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001198252751 782153041 /nfs/dbraw/zinc/15/30/41/782153041.db2.gz TYOFWUZXAXKRRF-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO C[C@]1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179952 782151906 /nfs/dbraw/zinc/15/19/06/782151906.db2.gz RZPPLPCWPBOROB-CKYFFXLPSA-N 1 1 321.399 -2.388 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255094 782153736 /nfs/dbraw/zinc/15/37/36/782153736.db2.gz KYHIWCVBPLEBJV-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255094 782153743 /nfs/dbraw/zinc/15/37/43/782153743.db2.gz KYHIWCVBPLEBJV-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccn2CC(F)(F)F)[C@H]2NCN[C@H]21 ZINC001198311345 782154199 /nfs/dbraw/zinc/15/41/99/782154199.db2.gz OFVCDJPVHCYFPH-XLPZGREQSA-N 1 1 319.291 -1.422 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CCC[N@H+](CCCO)CC1 ZINC001198236743 782154263 /nfs/dbraw/zinc/15/42/63/782154263.db2.gz XGVMGHBLQCPLOP-UHFFFAOYSA-N 1 1 324.385 -1.689 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001198247835 782154383 /nfs/dbraw/zinc/15/43/83/782154383.db2.gz CUWFBAHXXUPKEK-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198248464 782154439 /nfs/dbraw/zinc/15/44/39/782154439.db2.gz RSAOFHRCZDSIHY-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198248464 782154444 /nfs/dbraw/zinc/15/44/44/782154444.db2.gz RSAOFHRCZDSIHY-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198353506 782154932 /nfs/dbraw/zinc/15/49/32/782154932.db2.gz WMLFSJHDOMBMAD-GHMZBOCLSA-N 1 1 311.338 -1.447 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001198489227 782155545 /nfs/dbraw/zinc/15/55/45/782155545.db2.gz BJUXOGXZFAKESJ-QJPTWQEYSA-N 1 1 314.386 -1.225 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001198445263 782156084 /nfs/dbraw/zinc/15/60/84/782156084.db2.gz VNRDCAYWPCJUDU-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001198501098 782156286 /nfs/dbraw/zinc/15/62/86/782156286.db2.gz UKYOLKZPVRGWNF-IJLUTSLNSA-N 1 1 324.381 -1.064 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001198466224 782156374 /nfs/dbraw/zinc/15/63/74/782156374.db2.gz JQAPTLYPWDEKJZ-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001198501075 782156591 /nfs/dbraw/zinc/15/65/91/782156591.db2.gz TUUGLWMMYWZZRH-HBNTYKKESA-N 1 1 310.354 -1.454 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490470 782156781 /nfs/dbraw/zinc/15/67/81/782156781.db2.gz VYVVNYZZOFUXLL-GHMZBOCLSA-N 1 1 302.375 -1.369 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001198489201 782156795 /nfs/dbraw/zinc/15/67/95/782156795.db2.gz AEFDINDCSUCOQZ-QJPTWQEYSA-N 1 1 314.386 -1.225 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336820728 522187440 /nfs/dbraw/zinc/18/74/40/522187440.db2.gz FDXROBGJSIKDLE-GFCCVEGCSA-N 1 1 309.432 -1.449 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198507145 782157360 /nfs/dbraw/zinc/15/73/60/782157360.db2.gz IGNIKFALOZQJHM-IWSPIJDZSA-N 1 1 300.315 -2.872 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198506504 782157887 /nfs/dbraw/zinc/15/78/87/782157887.db2.gz BOTCFGQZDPTPOO-GHMZBOCLSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001198507014 782158698 /nfs/dbraw/zinc/15/86/98/782158698.db2.gz GFZURYSYGAFPJW-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001198654290 782159119 /nfs/dbraw/zinc/15/91/19/782159119.db2.gz RPXCWVJIIWBVNQ-YNEHKIRRSA-N 1 1 301.387 -1.892 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198507219 782158058 /nfs/dbraw/zinc/15/80/58/782158058.db2.gz IPNQLZKIXAZYMS-NXEZZACHSA-N 1 1 314.342 -2.528 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672710 782160164 /nfs/dbraw/zinc/16/01/64/782160164.db2.gz QWOVBRIEBTVCAP-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)C1 ZINC001198653747 782160413 /nfs/dbraw/zinc/16/04/13/782160413.db2.gz NCYUTHYLOGKGIK-IVZWLZJFSA-N 1 1 313.358 -2.706 20 0 DAADMO COCCn1c(=O)cccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001198702870 782160548 /nfs/dbraw/zinc/16/05/48/782160548.db2.gz RXFOAMLPZFBOIA-AGIUHOORSA-N 1 1 322.369 -2.373 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001198649933 782160614 /nfs/dbraw/zinc/16/06/14/782160614.db2.gz ZBVQDOZAXNTJLC-UTUOFQBUSA-N 1 1 319.354 -1.096 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)no1 ZINC001198645355 782160635 /nfs/dbraw/zinc/16/06/35/782160635.db2.gz PQKNCDPPYSYJBS-SZEHBUNVSA-N 1 1 312.326 -1.536 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)no1 ZINC001198645355 782160636 /nfs/dbraw/zinc/16/06/36/782160636.db2.gz PQKNCDPPYSYJBS-SZEHBUNVSA-N 1 1 312.326 -1.536 20 0 DAADMO COC[C@H](CO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353253869 518089426 /nfs/dbraw/zinc/08/94/26/518089426.db2.gz VYDDBCJXGOJZBW-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198722730 782161400 /nfs/dbraw/zinc/16/14/00/782161400.db2.gz XZJAADQFZFFGGS-HBNTYKKESA-N 1 1 307.416 -1.257 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001198708292 782161377 /nfs/dbraw/zinc/16/13/77/782161377.db2.gz WABJUAQHWWXASJ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001198708292 782161384 /nfs/dbraw/zinc/16/13/84/782161384.db2.gz WABJUAQHWWXASJ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@H]1O ZINC001198721881 782161635 /nfs/dbraw/zinc/16/16/35/782161635.db2.gz GBFJUPPCKBNMRH-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001198721881 782161640 /nfs/dbraw/zinc/16/16/40/782161640.db2.gz GBFJUPPCKBNMRH-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001198722606 782161561 /nfs/dbraw/zinc/16/15/61/782161561.db2.gz QWSCOJDQAXREEL-HBNTYKKESA-N 1 1 323.415 -2.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001198722066 782161583 /nfs/dbraw/zinc/16/15/83/782161583.db2.gz HVTQLSQVWLIVSG-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001198722052 782161788 /nfs/dbraw/zinc/16/17/88/782161788.db2.gz HDWHOGDSWLMSQR-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001198722598 782161714 /nfs/dbraw/zinc/16/17/14/782161714.db2.gz QWSCOJDQAXREEL-GMTAPVOTSA-N 1 1 323.415 -2.142 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198678767 782161910 /nfs/dbraw/zinc/16/19/10/782161910.db2.gz DTDBLPQUECGFHA-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198707180 782162053 /nfs/dbraw/zinc/16/20/53/782162053.db2.gz MLIYWKIAQBZJHG-LERXQTSPSA-N 1 1 324.381 -1.179 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001198707180 782162050 /nfs/dbraw/zinc/16/20/50/782162050.db2.gz MLIYWKIAQBZJHG-LERXQTSPSA-N 1 1 324.381 -1.179 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339497076 519657691 /nfs/dbraw/zinc/65/76/91/519657691.db2.gz RBXQNXNBHCWICQ-UHFFFAOYSA-N 1 1 314.386 -1.533 20 0 DAADMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000353101737 520095119 /nfs/dbraw/zinc/09/51/19/520095119.db2.gz KEWQXJYIVWPMGS-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001198736468 782162493 /nfs/dbraw/zinc/16/24/93/782162493.db2.gz TYKMTCANGMNJDZ-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(N)=O ZINC000191724555 521041800 /nfs/dbraw/zinc/04/18/00/521041800.db2.gz WFKTZCWQPCRRIF-UHFFFAOYSA-N 1 1 322.369 -1.369 20 0 DAADMO CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000268040958 521662959 /nfs/dbraw/zinc/66/29/59/521662959.db2.gz PTYXGAWWJYSBPC-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000337988270 521673165 /nfs/dbraw/zinc/67/31/65/521673165.db2.gz YTBOJOIJICTJOB-CYBMUJFWSA-N 1 1 323.459 -1.059 20 0 DAADMO CNS(=O)(=O)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000339497942 522173922 /nfs/dbraw/zinc/17/39/22/522173922.db2.gz LRVVQOFNSXOENK-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336820729 522189952 /nfs/dbraw/zinc/18/99/52/522189952.db2.gz FDXROBGJSIKDLE-LBPRGKRZSA-N 1 1 309.432 -1.449 20 0 DAADMO CN(CC(=O)NCCN1CC[NH2+]CC1)c1ncnc2[nH]cnc21 ZINC000237058566 522477615 /nfs/dbraw/zinc/47/76/15/522477615.db2.gz CRUOJAIBJVESFS-UHFFFAOYSA-N 1 1 318.385 -1.190 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336860562 523019578 /nfs/dbraw/zinc/01/95/78/523019578.db2.gz SCHQSWVBDBPWHR-KGLIPLIRSA-N 1 1 315.414 -1.405 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)C[C@H](O)CN1CCOCC1 ZINC000336860561 523092199 /nfs/dbraw/zinc/09/21/99/523092199.db2.gz SCHQSWVBDBPWHR-KBPBESRZSA-N 1 1 315.414 -1.405 20 0 DAADMO NC(=O)c1ccc(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001198827437 782163018 /nfs/dbraw/zinc/16/30/18/782163018.db2.gz YLWFIZNSTOVBMV-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)c1ccc(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001198827437 782163024 /nfs/dbraw/zinc/16/30/24/782163024.db2.gz YLWFIZNSTOVBMV-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000339312137 523583617 /nfs/dbraw/zinc/58/36/17/523583617.db2.gz ZRKIJUJINKLXAX-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(CO)CC1 ZINC000339312153 523586680 /nfs/dbraw/zinc/58/66/80/523586680.db2.gz ZVVJREVZQRMBJC-UHFFFAOYSA-N 1 1 301.387 -1.088 20 0 DAADMO Cc1nc2ncccn2c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001198755912 782163109 /nfs/dbraw/zinc/16/31/09/782163109.db2.gz HLNDVFSLELIRLM-LSJOCFKGSA-N 1 1 302.342 -1.830 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000339245199 523590731 /nfs/dbraw/zinc/59/07/31/523590731.db2.gz GUJUSEVHZQYVOY-UHFFFAOYSA-N 1 1 319.387 -1.775 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCSCC1 ZINC000339302328 523885210 /nfs/dbraw/zinc/88/52/10/523885210.db2.gz LLEQLYKKMIUWOT-NSHDSACASA-N 1 1 300.428 -1.076 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000339266702 523979156 /nfs/dbraw/zinc/97/91/56/523979156.db2.gz YPUALAPVUFDRBP-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339485726 523989539 /nfs/dbraw/zinc/98/95/39/523989539.db2.gz ADDUDEHKWOIKPX-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000248889046 524502701 /nfs/dbraw/zinc/50/27/01/524502701.db2.gz FLCJWLLINFYXFI-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000248889046 524502707 /nfs/dbraw/zinc/50/27/07/524502707.db2.gz FLCJWLLINFYXFI-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000339490921 524745129 /nfs/dbraw/zinc/74/51/29/524745129.db2.gz RYCPESWMAJPDLF-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000247176999 524955572 /nfs/dbraw/zinc/95/55/72/524955572.db2.gz RQMZVCIJCNHUDA-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000247176999 524955583 /nfs/dbraw/zinc/95/55/83/524955583.db2.gz RQMZVCIJCNHUDA-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369025877 525193498 /nfs/dbraw/zinc/19/34/98/525193498.db2.gz FXRUNZAMQLWPRZ-WDEREUQCSA-N 1 1 320.415 -1.302 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(C3CCC3)c(=O)c2)[C@@H]2NCN[C@@H]21 ZINC001198763313 782163633 /nfs/dbraw/zinc/16/36/33/782163633.db2.gz BNKKZPBSIOWUGQ-MCIONIFRSA-N 1 1 318.381 -1.294 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001198761570 782163655 /nfs/dbraw/zinc/16/36/55/782163655.db2.gz KRWZXECKXSFERF-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001198761570 782163662 /nfs/dbraw/zinc/16/36/62/782163662.db2.gz KRWZXECKXSFERF-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO Cc1nc2ncccn2c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001198755914 782163767 /nfs/dbraw/zinc/16/37/67/782163767.db2.gz HLNDVFSLELIRLM-MIMYLULJSA-N 1 1 302.342 -1.830 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000249051474 525769896 /nfs/dbraw/zinc/76/98/96/525769896.db2.gz OETBAUVCZVIACO-RYUDHWBXSA-N 1 1 310.398 -1.029 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](CO)C1 ZINC000245434670 526190328 /nfs/dbraw/zinc/19/03/28/526190328.db2.gz PWJWLTRELZMIMR-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](CO)C1 ZINC000245434670 526190334 /nfs/dbraw/zinc/19/03/34/526190334.db2.gz PWJWLTRELZMIMR-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339486389 526204877 /nfs/dbraw/zinc/20/48/77/526204877.db2.gz HANZFCQDLKKWEG-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000285987892 536469331 /nfs/dbraw/zinc/46/93/31/536469331.db2.gz YFJPJLMWPZCVHX-RYUDHWBXSA-N 1 1 322.365 -1.522 20 0 DAADMO COCCOCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000340711679 536507776 /nfs/dbraw/zinc/50/77/76/536507776.db2.gz ZWEXGAVQYIKATB-UHFFFAOYSA-N 1 1 319.427 -1.069 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[NH+]2CCSCC2)c1=O ZINC000264761609 527033722 /nfs/dbraw/zinc/03/37/22/527033722.db2.gz DBGBNJXJIMPHTO-UHFFFAOYSA-N 1 1 312.395 -1.288 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198970459 782164715 /nfs/dbraw/zinc/16/47/15/782164715.db2.gz MEOZCXOPJGLNSA-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000337234172 527300984 /nfs/dbraw/zinc/30/09/84/527300984.db2.gz ZOHGFIUMIXMZPB-LLVKDONJSA-N 1 1 320.415 -1.650 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000337234172 527300988 /nfs/dbraw/zinc/30/09/88/527300988.db2.gz ZOHGFIUMIXMZPB-LLVKDONJSA-N 1 1 320.415 -1.650 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1=O ZINC001198839527 782165016 /nfs/dbraw/zinc/16/50/16/782165016.db2.gz HJHCSDJKZVLVNP-AGIUHOORSA-N 1 1 322.369 -2.373 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCn2ncnc2C1 ZINC000339496117 527669198 /nfs/dbraw/zinc/66/91/98/527669198.db2.gz NWRUIIKROYJIJM-UHFFFAOYSA-N 1 1 322.369 -1.541 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)C1 ZINC001198847595 782165206 /nfs/dbraw/zinc/16/52/06/782165206.db2.gz ACHQTHSVNQYFEB-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001198969565 782165264 /nfs/dbraw/zinc/16/52/64/782165264.db2.gz APGWWQHROOMLRQ-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)C1 ZINC001198847596 782165610 /nfs/dbraw/zinc/16/56/10/782165610.db2.gz ACHQTHSVNQYFEB-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001199042658 782166630 /nfs/dbraw/zinc/16/66/30/782166630.db2.gz JVQSAOHUPYOEKU-HBNTYKKESA-N 1 1 316.402 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(C3CCC3)c2)[C@H]2NCN[C@H]21 ZINC001198981469 782167365 /nfs/dbraw/zinc/16/73/65/782167365.db2.gz SYWRBZGHCJJYTR-QJPTWQEYSA-N 1 1 319.369 -1.899 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001199042752 782167379 /nfs/dbraw/zinc/16/73/79/782167379.db2.gz LAYJMXRWMKTBCO-IVZWLZJFSA-N 1 1 302.375 -1.764 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001199042500 782167792 /nfs/dbraw/zinc/16/77/92/782167792.db2.gz DJGZEGKZQWPPCE-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199012070 782168000 /nfs/dbraw/zinc/16/80/00/782168000.db2.gz ZASBJFXOFBMOAW-NXEZZACHSA-N 1 1 312.330 -3.452 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284518304 536319471 /nfs/dbraw/zinc/31/94/71/536319471.db2.gz IPRYLIVUTIQODZ-ZDUSSCGKSA-N 1 1 310.358 -1.049 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000340218792 536321685 /nfs/dbraw/zinc/32/16/85/536321685.db2.gz DYTMTFHVDMLKLT-UHFFFAOYSA-N 1 1 323.357 -1.343 20 0 DAADMO CN1CCN(c2cc(N3CC[NH+](CCO)CC3)ncn2)CC1=O ZINC000274404003 536419829 /nfs/dbraw/zinc/41/98/29/536419829.db2.gz YLFKTNXLTJXBAN-UHFFFAOYSA-N 1 1 320.397 -1.131 20 0 DAADMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000285272664 536792188 /nfs/dbraw/zinc/79/21/88/536792188.db2.gz DYLKBIBFTRJCBJ-DTORHVGOSA-N 1 1 310.354 -1.042 20 0 DAADMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000285272664 536792195 /nfs/dbraw/zinc/79/21/95/536792195.db2.gz DYLKBIBFTRJCBJ-DTORHVGOSA-N 1 1 310.354 -1.042 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000348205642 545643598 /nfs/dbraw/zinc/64/35/98/545643598.db2.gz XYRBODIKPKRBOT-HKUMRIAESA-N 1 1 301.387 -1.621 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000444399969 545654808 /nfs/dbraw/zinc/65/48/08/545654808.db2.gz QAAQMERCGPARQM-UHFFFAOYSA-N 1 1 309.432 -1.448 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1ccnc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670639829 545654894 /nfs/dbraw/zinc/65/48/94/545654894.db2.gz LXLPQQZHVIZVSF-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1ccnc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670639829 545654904 /nfs/dbraw/zinc/65/49/04/545654904.db2.gz LXLPQQZHVIZVSF-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000672004081 545657088 /nfs/dbraw/zinc/65/70/88/545657088.db2.gz LXVLEQHSGBRKGU-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000668667567 545658075 /nfs/dbraw/zinc/65/80/75/545658075.db2.gz BZHYYNJOCBHATQ-JHJVBQTASA-N 1 1 300.355 -1.810 20 0 DAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)[C@H]2CCOC2)CC1 ZINC000329506996 545660221 /nfs/dbraw/zinc/66/02/21/545660221.db2.gz HPWOAQAVVYESES-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000133040484 545661819 /nfs/dbraw/zinc/66/18/19/545661819.db2.gz LICWNUWCSPWKBX-AXFHLTTASA-N 1 1 322.369 -1.005 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000133040484 545661826 /nfs/dbraw/zinc/66/18/26/545661826.db2.gz LICWNUWCSPWKBX-AXFHLTTASA-N 1 1 322.369 -1.005 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000665011679 545663977 /nfs/dbraw/zinc/66/39/77/545663977.db2.gz DRXJWMYZLRUWKT-UHFFFAOYSA-N 1 1 319.431 -1.057 20 0 DAADMO C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000407979089 545664250 /nfs/dbraw/zinc/66/42/50/545664250.db2.gz ORSORNDVVXEXOK-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO O=C(NCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccn[nH]1 ZINC000651019103 545676272 /nfs/dbraw/zinc/67/62/72/545676272.db2.gz STISIYOYLPBULR-LLVKDONJSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(NCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccn[nH]1 ZINC000651019103 545676277 /nfs/dbraw/zinc/67/62/77/545676277.db2.gz STISIYOYLPBULR-LLVKDONJSA-N 1 1 322.369 -1.400 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710002 545677019 /nfs/dbraw/zinc/67/70/19/545677019.db2.gz DGLFTYWRRZETOX-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651050442 545678835 /nfs/dbraw/zinc/67/88/35/545678835.db2.gz WKUGUDCMIZEVLL-SNVBAGLBSA-N 1 1 306.388 -2.004 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651050442 545678845 /nfs/dbraw/zinc/67/88/45/545678845.db2.gz WKUGUDCMIZEVLL-SNVBAGLBSA-N 1 1 306.388 -2.004 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@@H](CO)C1 ZINC000602902563 545682057 /nfs/dbraw/zinc/68/20/57/545682057.db2.gz DCTYZNJZBYJDNM-MRVPVSSYSA-N 1 1 312.292 -1.017 20 0 DAADMO C[N@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@@H](CO)C1 ZINC000602902563 545682063 /nfs/dbraw/zinc/68/20/63/545682063.db2.gz DCTYZNJZBYJDNM-MRVPVSSYSA-N 1 1 312.292 -1.017 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000342503042 545692402 /nfs/dbraw/zinc/69/24/02/545692402.db2.gz YUJAEVLJCRYTRM-VIFPVBQESA-N 1 1 307.372 -1.711 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441229447 545698220 /nfs/dbraw/zinc/69/82/20/545698220.db2.gz SZBZMYFIYCXAJR-JOYOIKCWSA-N 1 1 316.354 -1.090 20 0 DAADMO CCOC(=O)C1CCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000331298639 545705876 /nfs/dbraw/zinc/70/58/76/545705876.db2.gz PKHMBOOXULDPMN-RYUDHWBXSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)OC ZINC000343540411 545707015 /nfs/dbraw/zinc/70/70/15/545707015.db2.gz KLCCYYLXNXXOIP-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](CO)[C@H](C)C2)C1 ZINC000343927207 545708290 /nfs/dbraw/zinc/70/82/90/545708290.db2.gz VQLYJIIRROLMPU-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccn(C)n2)C1 ZINC000343897812 545708735 /nfs/dbraw/zinc/70/87/35/545708735.db2.gz YXHXIKWUNDQZCE-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000343849548 545710212 /nfs/dbraw/zinc/71/02/12/545710212.db2.gz YPQORERVFBFKNV-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccn(C)n2)C1 ZINC000343897813 545710224 /nfs/dbraw/zinc/71/02/24/545710224.db2.gz YXHXIKWUNDQZCE-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[C@@H](CO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000344259807 545711329 /nfs/dbraw/zinc/71/13/29/545711329.db2.gz KOCYKOWTGZAFQD-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCN1C(=O)CCC1=O ZINC000347181748 545715871 /nfs/dbraw/zinc/71/58/71/545715871.db2.gz BVRKLSLTGZWILN-UHFFFAOYSA-N 1 1 300.359 -1.251 20 0 DAADMO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000347492931 545716792 /nfs/dbraw/zinc/71/67/92/545716792.db2.gz AYVWOVLLWOOEQI-SNVBAGLBSA-N 1 1 312.395 -1.402 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967484 545721439 /nfs/dbraw/zinc/72/14/39/545721439.db2.gz HDQOORUXUPUMJO-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1(c2nn[nH]n2)CCCC1 ZINC000351541038 545722906 /nfs/dbraw/zinc/72/29/06/545722906.db2.gz PDIBAOANZBIQAO-SECBINFHSA-N 1 1 307.358 -1.047 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000351553052 545723438 /nfs/dbraw/zinc/72/34/38/545723438.db2.gz CWVDLUMAPDFNJM-RWMBFGLXSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000331378930 545724019 /nfs/dbraw/zinc/72/40/19/545724019.db2.gz IDGNXXAYLULJET-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000330299737 545724995 /nfs/dbraw/zinc/72/49/95/545724995.db2.gz IDRVBQOHRIQQOK-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331642336 545726686 /nfs/dbraw/zinc/72/66/86/545726686.db2.gz IUWCHYHTEBRLNW-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331642336 545726693 /nfs/dbraw/zinc/72/66/93/545726693.db2.gz IUWCHYHTEBRLNW-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332087861 545729097 /nfs/dbraw/zinc/72/90/97/545729097.db2.gz JDCYAWGFARQCNX-KGLIPLIRSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332087861 545729104 /nfs/dbraw/zinc/72/91/04/545729104.db2.gz JDCYAWGFARQCNX-KGLIPLIRSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332087862 545729713 /nfs/dbraw/zinc/72/97/13/545729713.db2.gz JDCYAWGFARQCNX-UONOGXRCSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332087862 545729718 /nfs/dbraw/zinc/72/97/18/545729718.db2.gz JDCYAWGFARQCNX-UONOGXRCSA-N 1 1 323.441 -1.345 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000352993997 545736393 /nfs/dbraw/zinc/73/63/93/545736393.db2.gz UPFZUWOTJLJJBO-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000352993997 545736396 /nfs/dbraw/zinc/73/63/96/545736396.db2.gz UPFZUWOTJLJJBO-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652900959 545736577 /nfs/dbraw/zinc/73/65/77/545736577.db2.gz JMHUHMHRMYRWFW-CYBMUJFWSA-N 1 1 319.413 -1.161 20 0 DAADMO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900959 545736580 /nfs/dbraw/zinc/73/65/80/545736580.db2.gz JMHUHMHRMYRWFW-CYBMUJFWSA-N 1 1 319.413 -1.161 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900959 545736583 /nfs/dbraw/zinc/73/65/83/545736583.db2.gz JMHUHMHRMYRWFW-CYBMUJFWSA-N 1 1 319.413 -1.161 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC000357964667 545737663 /nfs/dbraw/zinc/73/76/63/545737663.db2.gz PCDQUXXTMMZBTB-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000358114336 545739784 /nfs/dbraw/zinc/73/97/84/545739784.db2.gz UMLUNYWJKPUUGR-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)C[NH+]1CCOCC1 ZINC000357984992 545739911 /nfs/dbraw/zinc/73/99/11/545739911.db2.gz BILYZQKFWFMJKE-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000367294036 545740531 /nfs/dbraw/zinc/74/05/31/545740531.db2.gz ASPWRVZAIRSLPA-LLVKDONJSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358206834 545741915 /nfs/dbraw/zinc/74/19/15/545741915.db2.gz KUTQPGWSELSEMA-SECBINFHSA-N 1 1 306.388 -1.038 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358217077 545742101 /nfs/dbraw/zinc/74/21/01/545742101.db2.gz VFJKPLGEXWDRLJ-LLVKDONJSA-N 1 1 309.388 -1.618 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1=NN(CCO)C(=O)CC1 ZINC000362435314 545744508 /nfs/dbraw/zinc/74/45/08/545744508.db2.gz VANCJYBFJKPXOH-RYUDHWBXSA-N 1 1 324.381 -1.064 20 0 DAADMO CS(=O)(=O)NCCN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835791 545746376 /nfs/dbraw/zinc/74/63/76/545746376.db2.gz AWICXVNZHSRKTA-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362835791 545746383 /nfs/dbraw/zinc/74/63/83/545746383.db2.gz AWICXVNZHSRKTA-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362835791 545746386 /nfs/dbraw/zinc/74/63/86/545746386.db2.gz AWICXVNZHSRKTA-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827949 545747299 /nfs/dbraw/zinc/74/72/99/545747299.db2.gz BOHFRHOAGQLYFI-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827949 545747303 /nfs/dbraw/zinc/74/73/03/545747303.db2.gz BOHFRHOAGQLYFI-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827949 545747307 /nfs/dbraw/zinc/74/73/07/545747307.db2.gz BOHFRHOAGQLYFI-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CCO1 ZINC000368079058 545749282 /nfs/dbraw/zinc/74/92/82/545749282.db2.gz NALRCOAQYOJSQM-LLVKDONJSA-N 1 1 302.375 -1.279 20 0 DAADMO COC(=O)c1cn(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000375953954 545753857 /nfs/dbraw/zinc/75/38/57/545753857.db2.gz LYKYYTOJMXMGFZ-GFCCVEGCSA-N 1 1 322.369 -1.429 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000375726218 545754305 /nfs/dbraw/zinc/75/43/05/545754305.db2.gz HFXBSJNYZBJWDG-ZDUSSCGKSA-N 1 1 301.343 -1.634 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000375726218 545754309 /nfs/dbraw/zinc/75/43/09/545754309.db2.gz HFXBSJNYZBJWDG-ZDUSSCGKSA-N 1 1 301.343 -1.634 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1C(=O)N1CCOCC1 ZINC000346593749 545770736 /nfs/dbraw/zinc/77/07/36/545770736.db2.gz UCUFJLBMJPMCOG-NXEZZACHSA-N 1 1 321.385 -1.377 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1C(=O)N1CCOCC1 ZINC000346593749 545770748 /nfs/dbraw/zinc/77/07/48/545770748.db2.gz UCUFJLBMJPMCOG-NXEZZACHSA-N 1 1 321.385 -1.377 20 0 DAADMO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC000528054965 545777695 /nfs/dbraw/zinc/77/76/95/545777695.db2.gz CBCUBMQUGKFLAE-JTQLQIEISA-N 1 1 324.366 -1.071 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001199071336 782168981 /nfs/dbraw/zinc/16/89/81/782168981.db2.gz RUGQEYWDRCWDRA-ZYHUDNBSSA-N 1 1 324.385 -1.272 20 0 DAADMO CN1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)S1(=O)=O ZINC000648713174 545783563 /nfs/dbraw/zinc/78/35/63/545783563.db2.gz MOTQHYLTMZZLNN-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000444713403 545783679 /nfs/dbraw/zinc/78/36/79/545783679.db2.gz YZDJFKQJTLTRND-OKILXGFUSA-N 1 1 309.366 -1.039 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000444713403 545783682 /nfs/dbraw/zinc/78/36/82/545783682.db2.gz YZDJFKQJTLTRND-OKILXGFUSA-N 1 1 309.366 -1.039 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487093642 545793853 /nfs/dbraw/zinc/79/38/53/545793853.db2.gz CIPIRYZOIFOINR-VWYCJHECSA-N 1 1 318.395 -1.017 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405212757 545797383 /nfs/dbraw/zinc/79/73/83/545797383.db2.gz DNEKZOKVQRWVRR-QJPTWQEYSA-N 1 1 317.411 -1.312 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1=O ZINC000405312260 545797423 /nfs/dbraw/zinc/79/74/23/545797423.db2.gz PKNOOBSBAQWVME-WDEREUQCSA-N 1 1 308.338 -2.176 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000670178436 545798392 /nfs/dbraw/zinc/79/83/92/545798392.db2.gz MBGCHOWGQVIIFS-RTYFJBAXSA-N 1 1 320.415 -1.568 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000670178435 545798983 /nfs/dbraw/zinc/79/89/83/545798983.db2.gz MBGCHOWGQVIIFS-CBINBANVSA-N 1 1 320.415 -1.568 20 0 DAADMO CN1CC[NH+](CCCNC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000649349500 545801319 /nfs/dbraw/zinc/80/13/19/545801319.db2.gz KBJGEFOXCUYQPO-UHFFFAOYSA-N 1 1 307.402 -1.282 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649321288 545802289 /nfs/dbraw/zinc/80/22/89/545802289.db2.gz SHJDLZWTVKLPKX-BFHYXJOUSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000656019595 545809438 /nfs/dbraw/zinc/80/94/38/545809438.db2.gz HCGJACPQIWQMBF-XDQVBPFNSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000656019596 545810001 /nfs/dbraw/zinc/81/00/01/545810001.db2.gz HCGJACPQIWQMBF-YIYPIFLZSA-N 1 1 324.425 -1.232 20 0 DAADMO CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062319 545813441 /nfs/dbraw/zinc/81/34/41/545813441.db2.gz FDUWGWOLUATOEU-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO CCCCN(CCO)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656059655 545813552 /nfs/dbraw/zinc/81/35/52/545813552.db2.gz WDEMBWPOTXUXHH-QWHCGFSZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071330 545814054 /nfs/dbraw/zinc/81/40/54/545814054.db2.gz AMGGHYLFUXOSEU-SDDRHHMPSA-N 1 1 324.381 -1.999 20 0 DAADMO CC(C)N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656088473 545814875 /nfs/dbraw/zinc/81/48/75/545814875.db2.gz LFAGOCVPGMDQNH-UONOGXRCSA-N 1 1 324.425 -1.184 20 0 DAADMO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656102969 545815184 /nfs/dbraw/zinc/81/51/84/545815184.db2.gz RMZNBPYTJMUURU-RWMBFGLXSA-N 1 1 310.398 -1.396 20 0 DAADMO CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656078384 545816055 /nfs/dbraw/zinc/81/60/55/545816055.db2.gz AUUHZJCHNGPTKM-XQQFMLRXSA-N 1 1 311.382 -1.507 20 0 DAADMO CC[NH+]1CCC(NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656286705 545816694 /nfs/dbraw/zinc/81/66/94/545816694.db2.gz PRKCYKAUCFZMPG-UONOGXRCSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656104142 545817079 /nfs/dbraw/zinc/81/70/79/545817079.db2.gz IKOORLSQQZJFOK-ZOBORPQBSA-N 1 1 322.409 -1.383 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000656103964 545817730 /nfs/dbraw/zinc/81/77/30/545817730.db2.gz DOIMYUPAOATABB-FQUUOJAGSA-N 1 1 322.409 -1.526 20 0 DAADMO [NH3+]CCC1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104180 545818058 /nfs/dbraw/zinc/81/80/58/545818058.db2.gz JFQPVFWKCVEREI-UONOGXRCSA-N 1 1 324.425 -1.149 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1=O ZINC000656315961 545819343 /nfs/dbraw/zinc/81/93/43/545819343.db2.gz NTFBYPXGZYDQTL-GRYCIOLGSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@H]1CC[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)O1 ZINC000656338994 545819647 /nfs/dbraw/zinc/81/96/47/545819647.db2.gz ZUGQISKTCUVJLO-WUHRBBMRSA-N 1 1 311.382 -1.053 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656308812 545819825 /nfs/dbraw/zinc/81/98/25/545819825.db2.gz IFDGJAYVHYZPQT-UONOGXRCSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656308812 545819829 /nfs/dbraw/zinc/81/98/29/545819829.db2.gz IFDGJAYVHYZPQT-UONOGXRCSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)no1 ZINC000656299029 545820030 /nfs/dbraw/zinc/82/00/30/545820030.db2.gz NLKJQPFDFJDZHQ-NWDGAFQWSA-N 1 1 308.338 -1.123 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)on1 ZINC000656305039 545820102 /nfs/dbraw/zinc/82/01/02/545820102.db2.gz NRWBZLKJWHXPTL-WDEREUQCSA-N 1 1 308.338 -1.123 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656316181 545820297 /nfs/dbraw/zinc/82/02/97/545820297.db2.gz PVHLLXRNUPPVNE-XDQVBPFNSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316181 545820300 /nfs/dbraw/zinc/82/03/00/545820300.db2.gz PVHLLXRNUPPVNE-XDQVBPFNSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297636 545820343 /nfs/dbraw/zinc/82/03/43/545820343.db2.gz GVAZAJLQEKPKFU-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO Cc1c(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cnn1C ZINC000656312974 545820774 /nfs/dbraw/zinc/82/07/74/545820774.db2.gz RXBHTFCESYEJGW-QWHCGFSZSA-N 1 1 321.381 -1.378 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)N1CCOCC1 ZINC000657134466 545822416 /nfs/dbraw/zinc/82/24/16/545822416.db2.gz MJILGKGQIATBDJ-UHFFFAOYSA-N 1 1 322.431 -1.485 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000357375976 545825645 /nfs/dbraw/zinc/82/56/45/545825645.db2.gz NTCNDBGRDOLVDI-LPWJVIDDSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000357375976 545825648 /nfs/dbraw/zinc/82/56/48/545825648.db2.gz NTCNDBGRDOLVDI-LPWJVIDDSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670406844 545827478 /nfs/dbraw/zinc/82/74/78/545827478.db2.gz FAXUDQWQEKVCPP-GHMZBOCLSA-N 1 1 304.416 -1.570 20 0 DAADMO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627395913 545830648 /nfs/dbraw/zinc/83/06/48/545830648.db2.gz ZECRRIFFKCNEBO-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)C[NH+]1CCCC1 ZINC000627398553 545830738 /nfs/dbraw/zinc/83/07/38/545830738.db2.gz PUCNKMAVKZPZBR-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(C(=O)N1CCO[C@@H](CO)C1)N1CC[NH+](CC2CC2)CC1 ZINC000658625302 545834652 /nfs/dbraw/zinc/83/46/52/545834652.db2.gz DZRMQZHWXCGKDJ-CYBMUJFWSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658785215 545836235 /nfs/dbraw/zinc/83/62/35/545836235.db2.gz MEDTYEXLKMAEQK-ZOBORPQBSA-N 1 1 323.393 -1.241 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671551791 545837879 /nfs/dbraw/zinc/83/78/79/545837879.db2.gz OENQMEASJZCESY-HNNXBMFYSA-N 1 1 322.413 -1.121 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCN1CCC2 ZINC000662907719 545839740 /nfs/dbraw/zinc/83/97/40/545839740.db2.gz VZSGRANPXDBJOE-STQMWFEESA-N 1 1 309.414 -1.639 20 0 DAADMO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CCN1CCC2 ZINC000662907716 545840120 /nfs/dbraw/zinc/84/01/20/545840120.db2.gz VZSGRANPXDBJOE-CHWSQXEVSA-N 1 1 309.414 -1.639 20 0 DAADMO C[N@H+]1CC[C@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000518196273 545854518 /nfs/dbraw/zinc/85/45/18/545854518.db2.gz XSUANBUTYCONBR-SNVBAGLBSA-N 1 1 321.385 -1.028 20 0 DAADMO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000666911064 545857811 /nfs/dbraw/zinc/85/78/11/545857811.db2.gz NSPSWZKPSOYYMY-QWRGUYRKSA-N 1 1 304.416 -1.030 20 0 DAADMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000666911063 545857925 /nfs/dbraw/zinc/85/79/25/545857925.db2.gz NSPSWZKPSOYYMY-MNOVXSKESA-N 1 1 304.416 -1.030 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)NC1=O ZINC000667940531 545860579 /nfs/dbraw/zinc/86/05/79/545860579.db2.gz GFADVAVGGCFDAD-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)NC1=O ZINC000667911956 545860846 /nfs/dbraw/zinc/86/08/46/545860846.db2.gz VGORAJZQEWANQL-RYUDHWBXSA-N 1 1 323.397 -1.049 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000672310884 545861680 /nfs/dbraw/zinc/86/16/80/545861680.db2.gz LNNKXVJMOMICBU-VXGBXAGGSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671935074 545861701 /nfs/dbraw/zinc/86/17/01/545861701.db2.gz NURATCSCYNYRKS-WOPDTQHZSA-N 1 1 324.385 -1.382 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671935074 545861706 /nfs/dbraw/zinc/86/17/06/545861706.db2.gz NURATCSCYNYRKS-WOPDTQHZSA-N 1 1 324.385 -1.382 20 0 DAADMO CC(C)OCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596326 545863905 /nfs/dbraw/zinc/86/39/05/545863905.db2.gz VTMKKQDQCZEJFT-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO CN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640710 545864287 /nfs/dbraw/zinc/86/42/87/545864287.db2.gz GXEKLVPDOOVUHC-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640710 545864291 /nfs/dbraw/zinc/86/42/91/545864291.db2.gz GXEKLVPDOOVUHC-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2nnnn2C)[C@@H](C)C1 ZINC000673000091 545865506 /nfs/dbraw/zinc/86/55/06/545865506.db2.gz MHXBFFJTWVZUIE-QWRGUYRKSA-N 1 1 311.390 -1.151 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)CCN1C(=O)CNC1=O ZINC000674462740 545867946 /nfs/dbraw/zinc/86/79/46/545867946.db2.gz BLZSMYVOGZKIRH-UHFFFAOYSA-N 1 1 304.372 -1.495 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)CCN1C(=O)CNC1=O ZINC000674462740 545867947 /nfs/dbraw/zinc/86/79/47/545867947.db2.gz BLZSMYVOGZKIRH-UHFFFAOYSA-N 1 1 304.372 -1.495 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000674388221 545867956 /nfs/dbraw/zinc/86/79/56/545867956.db2.gz BTDDXVXMUDGJPL-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000674877555 545868987 /nfs/dbraw/zinc/86/89/87/545868987.db2.gz WRTVFKKQDIUNFY-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO CCN1C(=O)[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CCN2C1=O ZINC000674595546 545869227 /nfs/dbraw/zinc/86/92/27/545869227.db2.gz VCFUVIPPYQKLOL-LBPRGKRZSA-N 1 1 323.397 -1.271 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCN1C(=O)CCC1=O ZINC000675632923 545870918 /nfs/dbraw/zinc/87/09/18/545870918.db2.gz ASHQWNHMMZWLLQ-UHFFFAOYSA-N 1 1 324.381 -1.242 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676287103 545871711 /nfs/dbraw/zinc/87/17/11/545871711.db2.gz OLTMBJADZAOQGF-IUCAKERBSA-N 1 1 312.326 -1.758 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287103 545871716 /nfs/dbraw/zinc/87/17/16/545871716.db2.gz OLTMBJADZAOQGF-IUCAKERBSA-N 1 1 312.326 -1.758 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676242008 545872477 /nfs/dbraw/zinc/87/24/77/545872477.db2.gz LTAYLZPHUSZNKM-ZJUUUORDSA-N 1 1 308.404 -1.446 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242008 545872482 /nfs/dbraw/zinc/87/24/82/545872482.db2.gz LTAYLZPHUSZNKM-ZJUUUORDSA-N 1 1 308.404 -1.446 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000161894051 545873581 /nfs/dbraw/zinc/87/35/81/545873581.db2.gz RUBOQRFWGWFHDH-UHFFFAOYSA-N 1 1 323.441 -1.343 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677847483 545874789 /nfs/dbraw/zinc/87/47/89/545874789.db2.gz CAMMHSXNZXEOOR-AWEZNQCLSA-N 1 1 323.441 -1.391 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000677739692 545875496 /nfs/dbraw/zinc/87/54/96/545875496.db2.gz DJFSGBUCASCSSH-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H](O)C1CC1 ZINC000677892264 545875875 /nfs/dbraw/zinc/87/58/75/545875875.db2.gz MZUMHGJLVXCWAU-PSASIEDQSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000677892264 545875881 /nfs/dbraw/zinc/87/58/81/545875881.db2.gz MZUMHGJLVXCWAU-PSASIEDQSA-N 1 1 324.381 -1.060 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000677740051 545876206 /nfs/dbraw/zinc/87/62/06/545876206.db2.gz KXCMOEROLMMPQO-UHFFFAOYSA-N 1 1 314.386 -1.676 20 0 DAADMO CN(CCN1CCCS1(=O)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000678520657 545877634 /nfs/dbraw/zinc/87/76/34/545877634.db2.gz GJDNRYKETGOMAZ-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C[C@H]1C ZINC000679798873 545882466 /nfs/dbraw/zinc/88/24/66/545882466.db2.gz SANVNBNVTCGXEL-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C[C@H]1C ZINC000679798873 545882468 /nfs/dbraw/zinc/88/24/68/545882468.db2.gz SANVNBNVTCGXEL-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC000679790009 545882500 /nfs/dbraw/zinc/88/25/00/545882500.db2.gz BSBSYQFLQHJGIC-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000680828015 545883844 /nfs/dbraw/zinc/88/38/44/545883844.db2.gz LFEZPCYKCHFIMZ-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000681990506 545885966 /nfs/dbraw/zinc/88/59/66/545885966.db2.gz VAULATUPJREZDD-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1cc(CN2CC[N@@H+](CCO)C(C)(C)C2)c(=O)n(C)c1=O ZINC000682166067 545886265 /nfs/dbraw/zinc/88/62/65/545886265.db2.gz HNFJGAKWROYFBE-UHFFFAOYSA-N 1 1 310.398 -1.028 20 0 DAADMO Cn1cc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c(=O)n(C)c1=O ZINC000682166067 545886271 /nfs/dbraw/zinc/88/62/71/545886271.db2.gz HNFJGAKWROYFBE-UHFFFAOYSA-N 1 1 310.398 -1.028 20 0 DAADMO Cn1cc(C[N@H+]2CCN(CCO)C(C)(C)C2)c(=O)n(C)c1=O ZINC000682166067 545886276 /nfs/dbraw/zinc/88/62/76/545886276.db2.gz HNFJGAKWROYFBE-UHFFFAOYSA-N 1 1 310.398 -1.028 20 0 DAADMO CC(C)c1cc(N2C[C@@H](O)[C@@H](O)C2)nc(N2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC000682920337 545888812 /nfs/dbraw/zinc/88/88/12/545888812.db2.gz QRXISOHQVQXATN-MPZDIEGVSA-N 1 1 324.381 -1.316 20 0 DAADMO C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000683574679 545890311 /nfs/dbraw/zinc/89/03/11/545890311.db2.gz WMCGRHJQBHADKV-AXFHLTTASA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683574679 545890317 /nfs/dbraw/zinc/89/03/17/545890317.db2.gz WMCGRHJQBHADKV-AXFHLTTASA-N 1 1 320.415 -1.222 20 0 DAADMO C[NH+]1CCN([C@H](C(=O)NC[C@H](O)C(N)=O)c2ccccc2)CC1 ZINC000683916204 545890331 /nfs/dbraw/zinc/89/03/31/545890331.db2.gz TUUFTBVZZBUOHT-KBPBESRZSA-N 1 1 320.393 -1.063 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000685194354 545892982 /nfs/dbraw/zinc/89/29/82/545892982.db2.gz KWLRVLKIBYWSGC-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685194354 545892987 /nfs/dbraw/zinc/89/29/87/545892987.db2.gz KWLRVLKIBYWSGC-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340977 545893277 /nfs/dbraw/zinc/89/32/77/545893277.db2.gz WZVPXGIRCOLNNH-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340977 545893279 /nfs/dbraw/zinc/89/32/79/545893279.db2.gz WZVPXGIRCOLNNH-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)CCOCCO)[C@H]1C[N@H+](C)CCO1 ZINC000685338219 545893572 /nfs/dbraw/zinc/89/35/72/545893572.db2.gz MSZBQYRYEGAKQO-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)CCOCCO)[C@H]1C[N@@H+](C)CCO1 ZINC000685338219 545893577 /nfs/dbraw/zinc/89/35/77/545893577.db2.gz MSZBQYRYEGAKQO-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685342787 545893837 /nfs/dbraw/zinc/89/38/37/545893837.db2.gz JFTNWXDMADTHHE-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342787 545893840 /nfs/dbraw/zinc/89/38/40/545893840.db2.gz JFTNWXDMADTHHE-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2C2CCOCC2)[C@H]2NCN[C@@H]21 ZINC001199083607 782170184 /nfs/dbraw/zinc/17/01/84/782170184.db2.gz UDNAYNQPVFIBIW-JHJVBQTASA-N 1 1 321.385 -1.633 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001199104774 782170200 /nfs/dbraw/zinc/17/02/00/782170200.db2.gz SFFMTLIJFPKEBG-FRRDWIJNSA-N 1 1 312.414 -1.234 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001199112043 782171196 /nfs/dbraw/zinc/17/11/96/782171196.db2.gz YMUOHOUPKWYMBZ-CHWSQXEVSA-N 1 1 303.403 -1.503 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OCC3CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001199144461 782170579 /nfs/dbraw/zinc/17/05/79/782170579.db2.gz UUGYMYUNPDEHMO-JHJVBQTASA-N 1 1 319.369 -1.602 20 0 DAADMO CN(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cccnc1 ZINC001199164206 782171365 /nfs/dbraw/zinc/17/13/65/782171365.db2.gz QEIHQCFALJYBGQ-MGPQQGTHSA-N 1 1 308.382 -1.162 20 0 DAADMO CN(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccnc1 ZINC001199164206 782171404 /nfs/dbraw/zinc/17/14/04/782171404.db2.gz QEIHQCFALJYBGQ-MGPQQGTHSA-N 1 1 308.382 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111670 782171731 /nfs/dbraw/zinc/17/17/31/782171731.db2.gz GRDIQOJTGWANTP-JHJVBQTASA-N 1 1 312.414 -1.281 20 0 DAADMO COCCOc1cnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001199130503 782172174 /nfs/dbraw/zinc/17/21/74/782172174.db2.gz FSUSTOLPHPZXKM-SRVKXCTJSA-N 1 1 323.357 -2.366 20 0 DAADMO COCCOc1ccncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001199238444 782173467 /nfs/dbraw/zinc/17/34/67/782173467.db2.gz ZZOYVGOIAIIPJF-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001199197770 782173634 /nfs/dbraw/zinc/17/36/34/782173634.db2.gz DFBMKYJSMUYAQN-SCVCMEIPSA-N 1 1 323.357 -2.366 20 0 DAADMO COc1cnc(Cl)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001199266429 782174737 /nfs/dbraw/zinc/17/47/37/782174737.db2.gz XHKUZHSZBNWWQC-MIMYLULJSA-N 1 1 312.761 -1.124 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199306745 782174919 /nfs/dbraw/zinc/17/49/19/782174919.db2.gz CMIUXSYQLIPEAW-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(OC(F)F)n2)[C@H]2NCN[C@@H]21 ZINC001199306774 782175019 /nfs/dbraw/zinc/17/50/19/782175019.db2.gz DXCYGBRUPQEAJZ-OPRDCNLKSA-N 1 1 314.296 -1.184 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C(C)C ZINC001199262337 782175032 /nfs/dbraw/zinc/17/50/32/782175032.db2.gz ZOXFBHJEZAMDRQ-BZPMIXESSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(C)C ZINC001199262337 782175036 /nfs/dbraw/zinc/17/50/36/782175036.db2.gz ZOXFBHJEZAMDRQ-BZPMIXESSA-N 1 1 301.387 -1.309 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199344648 782175985 /nfs/dbraw/zinc/17/59/85/782175985.db2.gz GLWBVWZJLKMGBY-HBNTYKKESA-N 1 1 302.375 -1.633 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199344648 782175990 /nfs/dbraw/zinc/17/59/90/782175990.db2.gz GLWBVWZJLKMGBY-HBNTYKKESA-N 1 1 302.375 -1.633 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199346576 782176138 /nfs/dbraw/zinc/17/61/38/782176138.db2.gz VAZDMDNKLBCPLI-QJPTWQEYSA-N 1 1 316.402 -1.243 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC(F)F)ccn2)[C@H]2NCN[C@H]21 ZINC001199314348 782176618 /nfs/dbraw/zinc/17/66/18/782176618.db2.gz BPLBVYCMGGGQLA-IVZWLZJFSA-N 1 1 314.296 -1.184 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199459444 782179944 /nfs/dbraw/zinc/17/99/44/782179944.db2.gz QETWLQSOAWDDJS-QJPTWQEYSA-N 1 1 301.387 -1.036 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506247 782181149 /nfs/dbraw/zinc/18/11/49/782181149.db2.gz RJJFCIYCSQTSEB-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514605 782182267 /nfs/dbraw/zinc/18/22/67/782182267.db2.gz HEAHGOXUFQBXHX-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(OC3CCC3)n2)[C@H]2NCN[C@@H]21 ZINC001199655528 782184426 /nfs/dbraw/zinc/18/44/26/782184426.db2.gz LIDULYWDBVHPMA-IJLUTSLNSA-N 1 1 319.369 -1.459 20 0 DAADMO CCC(CC)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199635044 782183669 /nfs/dbraw/zinc/18/36/69/782183669.db2.gz ZLIRAQSRIJIONT-VXGBXAGGSA-N 1 1 301.387 -1.308 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001199566848 782183730 /nfs/dbraw/zinc/18/37/30/782183730.db2.gz FWMSQLGLJNIQDF-HBNTYKKESA-N 1 1 313.354 -1.763 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001199715416 782184753 /nfs/dbraw/zinc/18/47/53/782184753.db2.gz FMWWYVPKMYFQMI-LBPRGKRZSA-N 1 1 311.342 -1.087 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001199716300 782184928 /nfs/dbraw/zinc/18/49/28/782184928.db2.gz MZSOXPVPSJCQDZ-LBPRGKRZSA-N 1 1 324.385 -1.044 20 0 DAADMO O=C(C[NH+](CCO)CCO)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822993334 599571978 /nfs/dbraw/zinc/57/19/78/599571978.db2.gz RJFOZISPAMEEOD-UHFFFAOYSA-N 1 1 320.353 -1.231 20 0 DAADMO NC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001199811478 782186695 /nfs/dbraw/zinc/18/66/95/782186695.db2.gz OTRFXXLQCPKKCZ-SNVBAGLBSA-N 1 1 312.330 -1.555 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000822869461 606250216 /nfs/dbraw/zinc/25/02/16/606250216.db2.gz WGMFPWOSEMOONM-UHFFFAOYSA-N 1 1 318.341 -1.126 20 0 DAADMO CN(C[C@H]1CC[N@H+](C)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821622328 607214238 /nfs/dbraw/zinc/21/42/38/607214238.db2.gz ZDGBTNBBVBTGMS-VIFPVBQESA-N 1 1 305.346 -1.132 20 0 DAADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821622328 607214239 /nfs/dbraw/zinc/21/42/39/607214239.db2.gz ZDGBTNBBVBTGMS-VIFPVBQESA-N 1 1 305.346 -1.132 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821690126 607214436 /nfs/dbraw/zinc/21/44/36/607214436.db2.gz ZZJVDXAESJQNHP-UHFFFAOYSA-N 1 1 323.361 -1.505 20 0 DAADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000823125633 607215902 /nfs/dbraw/zinc/21/59/02/607215902.db2.gz ANBDKBNPAODYCK-VIFPVBQESA-N 1 1 303.330 -1.235 20 0 DAADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000823125633 607215901 /nfs/dbraw/zinc/21/59/01/607215901.db2.gz ANBDKBNPAODYCK-VIFPVBQESA-N 1 1 303.330 -1.235 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821687229 607219784 /nfs/dbraw/zinc/21/97/84/607219784.db2.gz VFMRIFKATLCAMG-UHFFFAOYSA-N 1 1 323.361 -1.457 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821687229 607219785 /nfs/dbraw/zinc/21/97/85/607219785.db2.gz VFMRIFKATLCAMG-UHFFFAOYSA-N 1 1 323.361 -1.457 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@@H]1[NH+](C)C ZINC000820733537 607219830 /nfs/dbraw/zinc/21/98/30/607219830.db2.gz HAIBTVSSXYHPOW-BDAKNGLRSA-N 1 1 305.346 -1.133 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057209020 678699151 /nfs/dbraw/zinc/69/91/51/678699151.db2.gz GYXQCSIUICDMLM-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO COC(=O)[C@@H](CO)NC(=S)NCCC[NH+]1CCOCC1 ZINC001199953968 782188715 /nfs/dbraw/zinc/18/87/15/782188715.db2.gz QTXOGYVVZLPSCS-SNVBAGLBSA-N 1 1 305.400 -1.293 20 0 DAADMO O=C1CC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C(=O)N1 ZINC001199954579 782189051 /nfs/dbraw/zinc/18/90/51/782189051.db2.gz MUIKOCUBEIRYQF-JTQLQIEISA-N 1 1 314.411 -1.022 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001199919392 782189103 /nfs/dbraw/zinc/18/91/03/782189103.db2.gz ODINRYYTZMTGNQ-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO OC[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H]1O ZINC001199941545 782189344 /nfs/dbraw/zinc/18/93/44/782189344.db2.gz PNKBQEHMXVPXJB-RYUDHWBXSA-N 1 1 303.428 -1.132 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000903602111 662790203 /nfs/dbraw/zinc/79/02/03/662790203.db2.gz QNKFUZVKFXZFKQ-SECBINFHSA-N 1 1 300.402 -1.719 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535726 663306060 /nfs/dbraw/zinc/30/60/60/663306060.db2.gz QSPBBQGXURMIMZ-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788391074 663831536 /nfs/dbraw/zinc/83/15/36/663831536.db2.gz GFXFIRSVDMXWTA-SNVBAGLBSA-N 1 1 305.400 -1.300 20 0 DAADMO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000929463676 663988201 /nfs/dbraw/zinc/98/82/01/663988201.db2.gz ZGYNDLJGXJNBRG-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000929463676 663988203 /nfs/dbraw/zinc/98/82/03/663988203.db2.gz ZGYNDLJGXJNBRG-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000936045707 664005931 /nfs/dbraw/zinc/00/59/31/664005931.db2.gz RYXDMOZIYZTWTL-ZJUUUORDSA-N 1 1 305.400 -1.256 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000885302494 663968393 /nfs/dbraw/zinc/96/83/93/663968393.db2.gz XIJVCEMQAUAVDD-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000885302494 663968396 /nfs/dbraw/zinc/96/83/96/663968396.db2.gz XIJVCEMQAUAVDD-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)[nH]1 ZINC000967427558 664461988 /nfs/dbraw/zinc/46/19/88/664461988.db2.gz HFNLKSOPNXVRIU-SECBINFHSA-N 1 1 301.372 -1.152 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949239555 662305376 /nfs/dbraw/zinc/30/53/76/662305376.db2.gz SGCXVOARCXBKFS-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949239555 662305379 /nfs/dbraw/zinc/30/53/79/662305379.db2.gz SGCXVOARCXBKFS-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969145969 662305807 /nfs/dbraw/zinc/30/58/07/662305807.db2.gz WHVJUYINYNWFQL-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000969143113 662305843 /nfs/dbraw/zinc/30/58/43/662305843.db2.gz MXSWVSMMAJHFNT-SNVBAGLBSA-N 1 1 320.357 -1.899 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947368827 662305850 /nfs/dbraw/zinc/30/58/50/662305850.db2.gz BGDIJNHKRPGKLL-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC000969140769 662305981 /nfs/dbraw/zinc/30/59/81/662305981.db2.gz RBLCLSSBNAOPFQ-SNVBAGLBSA-N 1 1 320.357 -1.899 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001020436212 662309632 /nfs/dbraw/zinc/30/96/32/662309632.db2.gz VGMITXYZKAJIOV-DCAQKATOSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020456900 662310501 /nfs/dbraw/zinc/31/05/01/662310501.db2.gz RJWRFAZZTVMUQL-NNYUYHANSA-N 1 1 323.397 -1.132 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020465285 662310688 /nfs/dbraw/zinc/31/06/88/662310688.db2.gz WYSYMFQJSWCEPU-MGCOHNPYSA-N 1 1 324.410 -1.293 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001020460472 662311053 /nfs/dbraw/zinc/31/10/53/662311053.db2.gz ANNONVKSWUTZJQ-ZKCHVHJHSA-N 1 1 320.309 -1.081 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC000969327540 662311435 /nfs/dbraw/zinc/31/14/35/662311435.db2.gz XYBKSGIQAGHSDM-DPWYMPPLSA-N 1 1 309.366 -1.443 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCN2C(=O)CNC2=O)C1 ZINC001039028542 662311540 /nfs/dbraw/zinc/31/15/40/662311540.db2.gz PWUXNSSJZNSHBE-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1)c1nnnn1C ZINC001020467846 662311639 /nfs/dbraw/zinc/31/16/39/662311639.db2.gz KTRJBSDDZMKDOK-KYXWUPHJSA-N 1 1 307.358 -1.356 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020463945 662311649 /nfs/dbraw/zinc/31/16/49/662311649.db2.gz PHBCXBGLBDNYQP-HAQNSBGRSA-N 1 1 307.354 -1.157 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001020466956 662311766 /nfs/dbraw/zinc/31/17/66/662311766.db2.gz WSXZAXKASMGHRR-KYXWUPHJSA-N 1 1 307.358 -1.542 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001020469081 662312013 /nfs/dbraw/zinc/31/20/13/662312013.db2.gz LJVXLGGKHNEMGO-DCAQKATOSA-N 1 1 321.385 -1.044 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001020478380 662312711 /nfs/dbraw/zinc/31/27/11/662312711.db2.gz KSODVIXUZIYINP-ZKCHVHJHSA-N 1 1 321.345 -1.290 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC001020476593 662312742 /nfs/dbraw/zinc/31/27/42/662312742.db2.gz AUMSGQWBYIXUSK-DCAQKATOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC001020476593 662312745 /nfs/dbraw/zinc/31/27/45/662312745.db2.gz AUMSGQWBYIXUSK-DCAQKATOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC000969362758 662313674 /nfs/dbraw/zinc/31/36/74/662313674.db2.gz XHRVAPPAFHWGSJ-QCNOEVLYSA-N 1 1 324.381 -1.953 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000969400101 662313886 /nfs/dbraw/zinc/31/38/86/662313886.db2.gz AWHROWCHQRGKOF-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000969401315 662314072 /nfs/dbraw/zinc/31/40/72/662314072.db2.gz RPGWXQGZNIJHQX-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000969391625 662314338 /nfs/dbraw/zinc/31/43/38/662314338.db2.gz FLMULMFCGNHHLX-TXEJJXNPSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1N)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969425088 662314747 /nfs/dbraw/zinc/31/47/47/662314747.db2.gz VXOOXUORUIHMIM-SCZZXKLOSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969410500 662314967 /nfs/dbraw/zinc/31/49/67/662314967.db2.gz ROBZYAQZHPCVDR-BXKDBHETSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1N)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969425087 662315163 /nfs/dbraw/zinc/31/51/63/662315163.db2.gz VXOOXUORUIHMIM-PSASIEDQSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001020531346 662316543 /nfs/dbraw/zinc/31/65/43/662316543.db2.gz QFCJDEKFDGKHKB-FNCVBFRFSA-N 1 1 308.346 -1.811 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001020531348 662316886 /nfs/dbraw/zinc/31/68/86/662316886.db2.gz QFCJDEKFDGKHKB-XSPKLOCKSA-N 1 1 308.346 -1.811 20 0 DAADMO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969516845 662319647 /nfs/dbraw/zinc/31/96/47/662319647.db2.gz FWFWRLKYSPOHAR-WCQYABFASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969513959 662320242 /nfs/dbraw/zinc/32/02/42/662320242.db2.gz JGIMFMVUXRSQLS-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](NC(=O)c1cnn(C)c1N)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969531789 662321134 /nfs/dbraw/zinc/32/11/34/662321134.db2.gz IMXPDXLHOBEXQF-KWQFWETISA-N 1 1 306.370 -1.059 20 0 DAADMO C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000969547432 662322170 /nfs/dbraw/zinc/32/21/70/662322170.db2.gz RAFMBLAXWYYQGI-SYQHCUMBSA-N 1 1 324.425 -1.137 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000969547432 662322179 /nfs/dbraw/zinc/32/21/79/662322179.db2.gz RAFMBLAXWYYQGI-SYQHCUMBSA-N 1 1 324.425 -1.137 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000969547432 662322182 /nfs/dbraw/zinc/32/21/82/662322182.db2.gz RAFMBLAXWYYQGI-SYQHCUMBSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969573640 662322386 /nfs/dbraw/zinc/32/23/86/662322386.db2.gz LFOYMXARNDYRDB-SCZZXKLOSA-N 1 1 308.338 -1.083 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000969575682 662322571 /nfs/dbraw/zinc/32/25/71/662322571.db2.gz ZRTXMPXBRZQJCB-TVQRCGJNSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969573646 662322607 /nfs/dbraw/zinc/32/26/07/662322607.db2.gz LFOYMXARNDYRDB-WPRPVWTQSA-N 1 1 308.338 -1.083 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000969567551 662322620 /nfs/dbraw/zinc/32/26/20/662322620.db2.gz UKIJGFXLDNXNOG-GFCCVEGCSA-N 1 1 318.381 -1.401 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC000969643874 662324236 /nfs/dbraw/zinc/32/42/36/662324236.db2.gz ASIDONFHEFENTN-ZYHUDNBSSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1=O ZINC000969644960 662324299 /nfs/dbraw/zinc/32/42/99/662324299.db2.gz QPDIIGHVZWUJRF-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)CCC1 ZINC000969743423 662325232 /nfs/dbraw/zinc/32/52/32/662325232.db2.gz WXKUDNRBHYDPSN-ZJUUUORDSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)CCC1 ZINC000969743423 662325235 /nfs/dbraw/zinc/32/52/35/662325235.db2.gz WXKUDNRBHYDPSN-ZJUUUORDSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1)C1CCC1 ZINC000969740510 662325522 /nfs/dbraw/zinc/32/55/22/662325522.db2.gz MWVSCEMLGFLQNM-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)C1CCC1 ZINC000969740510 662325523 /nfs/dbraw/zinc/32/55/23/662325523.db2.gz MWVSCEMLGFLQNM-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)C1CCC1 ZINC000969740510 662325524 /nfs/dbraw/zinc/32/55/24/662325524.db2.gz MWVSCEMLGFLQNM-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)C1CCC1 ZINC000969740510 662325525 /nfs/dbraw/zinc/32/55/25/662325525.db2.gz MWVSCEMLGFLQNM-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)C1CCC1 ZINC000969740510 662325526 /nfs/dbraw/zinc/32/55/26/662325526.db2.gz MWVSCEMLGFLQNM-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO Cn1cc(OCC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC000969738909 662325863 /nfs/dbraw/zinc/32/58/63/662325863.db2.gz XWKQRRJPVFUBHN-SNVBAGLBSA-N 1 1 320.357 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969750057 662326134 /nfs/dbraw/zinc/32/61/34/662326134.db2.gz ZOKDAASCSKHZOR-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969750057 662326135 /nfs/dbraw/zinc/32/61/35/662326135.db2.gz ZOKDAASCSKHZOR-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969750057 662326136 /nfs/dbraw/zinc/32/61/36/662326136.db2.gz ZOKDAASCSKHZOR-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969750057 662326137 /nfs/dbraw/zinc/32/61/37/662326137.db2.gz ZOKDAASCSKHZOR-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969750057 662326138 /nfs/dbraw/zinc/32/61/38/662326138.db2.gz ZOKDAASCSKHZOR-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969750060 662326606 /nfs/dbraw/zinc/32/66/06/662326606.db2.gz ZOKDAASCSKHZOR-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969750060 662326610 /nfs/dbraw/zinc/32/66/10/662326610.db2.gz ZOKDAASCSKHZOR-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969750060 662326611 /nfs/dbraw/zinc/32/66/11/662326611.db2.gz ZOKDAASCSKHZOR-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969750060 662326613 /nfs/dbraw/zinc/32/66/13/662326613.db2.gz ZOKDAASCSKHZOR-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969750060 662326616 /nfs/dbraw/zinc/32/66/16/662326616.db2.gz ZOKDAASCSKHZOR-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969746517 662326843 /nfs/dbraw/zinc/32/68/43/662326843.db2.gz LMEKIWCVVAPOPZ-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969746517 662326845 /nfs/dbraw/zinc/32/68/45/662326845.db2.gz LMEKIWCVVAPOPZ-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969746517 662326848 /nfs/dbraw/zinc/32/68/48/662326848.db2.gz LMEKIWCVVAPOPZ-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969746517 662326851 /nfs/dbraw/zinc/32/68/51/662326851.db2.gz LMEKIWCVVAPOPZ-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969746517 662326854 /nfs/dbraw/zinc/32/68/54/662326854.db2.gz LMEKIWCVVAPOPZ-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)C1CC1 ZINC000969746832 662327494 /nfs/dbraw/zinc/32/74/94/662327494.db2.gz QWPYURICEBBACR-OUAUKWLOSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)C1CC1 ZINC000969746832 662327496 /nfs/dbraw/zinc/32/74/96/662327496.db2.gz QWPYURICEBBACR-OUAUKWLOSA-N 1 1 322.369 -1.554 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001020581006 662328905 /nfs/dbraw/zinc/32/89/05/662328905.db2.gz OJNLABPLGUOIRL-MPKXCIJOSA-N 1 1 309.326 -1.161 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000969784913 662329700 /nfs/dbraw/zinc/32/97/00/662329700.db2.gz DOAGMDQDXGAMQD-WDEREUQCSA-N 1 1 322.369 -1.510 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000969784912 662329907 /nfs/dbraw/zinc/32/99/07/662329907.db2.gz DOAGMDQDXGAMQD-GHMZBOCLSA-N 1 1 322.369 -1.510 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969792997 662331278 /nfs/dbraw/zinc/33/12/78/662331278.db2.gz BIJDNHLDLYZWAF-WISYIIOYSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969792999 662331468 /nfs/dbraw/zinc/33/14/68/662331468.db2.gz BIJDNHLDLYZWAF-YFKTTZPYSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCCO)nn1 ZINC001039052369 662332401 /nfs/dbraw/zinc/33/24/01/662332401.db2.gz KVAMUSLFIXFDLS-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCCO)nn1 ZINC001039052369 662332405 /nfs/dbraw/zinc/33/24/05/662332405.db2.gz KVAMUSLFIXFDLS-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1 ZINC000969829729 662332763 /nfs/dbraw/zinc/33/27/63/662332763.db2.gz OAQYGBMBPRTUCF-DHRKEOQWSA-N 1 1 323.393 -1.482 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969876077 662333960 /nfs/dbraw/zinc/33/39/60/662333960.db2.gz GKFUZUXXMNQIOJ-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1 ZINC000969911653 662334552 /nfs/dbraw/zinc/33/45/52/662334552.db2.gz CQYRZNCCHCPVNX-UPJWGTAASA-N 1 1 322.365 -1.143 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000969935111 662334890 /nfs/dbraw/zinc/33/48/90/662334890.db2.gz VTXXSXWDJXTOJX-RNCFNFMXSA-N 1 1 307.358 -1.573 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001020646973 662335028 /nfs/dbraw/zinc/33/50/28/662335028.db2.gz AYXQEPFLQYNZJK-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000969980884 662335892 /nfs/dbraw/zinc/33/58/92/662335892.db2.gz UIWQMSHDYXTFDG-MRVPVSSYSA-N 1 1 318.341 -1.359 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000970000433 662336718 /nfs/dbraw/zinc/33/67/18/662336718.db2.gz ZQGMUWFLNHXMTD-IEBDPFPHSA-N 1 1 309.326 -1.677 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001020745340 662341519 /nfs/dbraw/zinc/34/15/19/662341519.db2.gz NWOAGINEQSBPKM-MGCOHNPYSA-N 1 1 320.353 -1.395 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C2)o1 ZINC001020764360 662342128 /nfs/dbraw/zinc/34/21/28/662342128.db2.gz IMYOYLPDBRBZTF-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020765226 662342232 /nfs/dbraw/zinc/34/22/32/662342232.db2.gz VQHIVKAVNYSFRK-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1ncn[nH]1 ZINC001020776310 662342311 /nfs/dbraw/zinc/34/23/11/662342311.db2.gz CZZNFDSMODLQMQ-KYZUINATSA-N 1 1 306.326 -1.196 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1nc[nH]n1 ZINC001020776310 662342313 /nfs/dbraw/zinc/34/23/13/662342313.db2.gz CZZNFDSMODLQMQ-KYZUINATSA-N 1 1 306.326 -1.196 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001020763950 662342440 /nfs/dbraw/zinc/34/24/40/662342440.db2.gz AHRVWYBXOFJJAN-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC000970119210 662343410 /nfs/dbraw/zinc/34/34/10/662343410.db2.gz QDGICXIQDGHWDV-SCZZXKLOSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970118377 662343570 /nfs/dbraw/zinc/34/35/70/662343570.db2.gz DVCZHABIUGBPAQ-BDAKNGLRSA-N 1 1 321.341 -1.896 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119406 662343599 /nfs/dbraw/zinc/34/35/99/662343599.db2.gz VKCNAAVSSNINNS-BDAKNGLRSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970118427 662343619 /nfs/dbraw/zinc/34/36/19/662343619.db2.gz FRDRRBCRRKYHQA-SFYZADRCSA-N 1 1 322.329 -2.501 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001020827698 662343678 /nfs/dbraw/zinc/34/36/78/662343678.db2.gz PTVAUNGPZNAWCJ-KYZUINATSA-N 1 1 318.341 -1.312 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970119011 662343782 /nfs/dbraw/zinc/34/37/82/662343782.db2.gz LVVFQMRKYRCTQW-APPZFPTMSA-N 1 1 324.366 -1.173 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020987959 662345967 /nfs/dbraw/zinc/34/59/67/662345967.db2.gz VPPWQRFPPKLMFL-IJLUTSLNSA-N 1 1 321.385 -1.185 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001038181627 662346082 /nfs/dbraw/zinc/34/60/82/662346082.db2.gz USVGAAWDKVDMAN-CHWSQXEVSA-N 1 1 308.386 -1.201 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001038181627 662346084 /nfs/dbraw/zinc/34/60/84/662346084.db2.gz USVGAAWDKVDMAN-CHWSQXEVSA-N 1 1 308.386 -1.201 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970177646 662346467 /nfs/dbraw/zinc/34/64/67/662346467.db2.gz ZEPQIMJWMMZJEB-RKDXNWHRSA-N 1 1 307.354 -1.296 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000970177034 662346542 /nfs/dbraw/zinc/34/65/42/662346542.db2.gz QADYGVPPFKPXGL-VHSXEESVSA-N 1 1 321.381 -1.035 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c(=O)n1C ZINC001020999393 662346832 /nfs/dbraw/zinc/34/68/32/662346832.db2.gz YMPMXVJSYMRXMC-MGCOHNPYSA-N 1 1 321.341 -1.290 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000970177032 662346894 /nfs/dbraw/zinc/34/68/94/662346894.db2.gz QADYGVPPFKPXGL-NXEZZACHSA-N 1 1 321.381 -1.035 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001021023485 662347262 /nfs/dbraw/zinc/34/72/62/662347262.db2.gz IDTRNHBHHBIHLV-KYZUINATSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C1 ZINC001021033958 662349408 /nfs/dbraw/zinc/34/94/08/662349408.db2.gz LGFYHBSIYZMKSO-XYPYZODXSA-N 1 1 317.353 -1.191 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001021058014 662349574 /nfs/dbraw/zinc/34/95/74/662349574.db2.gz JZNZGPGXHQNHIA-KYZUINATSA-N 1 1 318.341 -1.312 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970207895 662350689 /nfs/dbraw/zinc/35/06/89/662350689.db2.gz CQHJAEMYXFMVNU-AXFHLTTASA-N 1 1 312.370 -1.966 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001021065411 662351726 /nfs/dbraw/zinc/35/17/26/662351726.db2.gz FSMGXNPSRHXCCC-NQMVMOMDSA-N 1 1 315.355 -1.502 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1O ZINC000970202962 662352746 /nfs/dbraw/zinc/35/27/46/662352746.db2.gz UZOCGCSIQALGEF-BBBLOLIVSA-N 1 1 321.337 -2.066 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079525 662353565 /nfs/dbraw/zinc/35/35/65/662353565.db2.gz ACHFLJLETSUYEL-IJLUTSLNSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)C1 ZINC001021079557 662354189 /nfs/dbraw/zinc/35/41/89/662354189.db2.gz AOLQBBBEXLELMK-IJLUTSLNSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)C1 ZINC001021079557 662354191 /nfs/dbraw/zinc/35/41/91/662354191.db2.gz AOLQBBBEXLELMK-IJLUTSLNSA-N 1 1 323.401 -1.332 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC000970257680 662355062 /nfs/dbraw/zinc/35/50/62/662355062.db2.gz QUZNBEUEHNANQZ-DTWKUNHWSA-N 1 1 305.346 -1.096 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970254745 662355066 /nfs/dbraw/zinc/35/50/66/662355066.db2.gz JHTUGOHUDRDVEK-SNVBAGLBSA-N 1 1 320.353 -1.442 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970271443 662356110 /nfs/dbraw/zinc/35/61/10/662356110.db2.gz OMUAUDGQIVQWEJ-KOLCDFICSA-N 1 1 311.386 -1.465 20 0 DAADMO Cn1nnnc1CN[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970271049 662356216 /nfs/dbraw/zinc/35/62/16/662356216.db2.gz WZGRNJZJGAPYQY-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970287747 662356769 /nfs/dbraw/zinc/35/67/69/662356769.db2.gz LGDGPJOGZHCDRZ-DTWKUNHWSA-N 1 1 309.374 -1.263 20 0 DAADMO CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3nnn(C)n3)C2)C1=O ZINC000970288858 662357057 /nfs/dbraw/zinc/35/70/57/662357057.db2.gz YEYPHULYZIBKFL-KOLCDFICSA-N 1 1 321.385 -1.119 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970282988 662357098 /nfs/dbraw/zinc/35/70/98/662357098.db2.gz FKEFFMKSMRRBBB-SECBINFHSA-N 1 1 322.325 -1.380 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC000970289595 662357462 /nfs/dbraw/zinc/35/74/62/662357462.db2.gz JCGNHBSSHBADFI-SCZZXKLOSA-N 1 1 307.358 -1.461 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001021141899 662357549 /nfs/dbraw/zinc/35/75/49/662357549.db2.gz JCFAHGQKROHLDM-CIUDSAMLSA-N 1 1 321.341 -2.000 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC000970289596 662357557 /nfs/dbraw/zinc/35/75/57/662357557.db2.gz JCGNHBSSHBADFI-WCBMZHEXSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC001021144499 662357617 /nfs/dbraw/zinc/35/76/17/662357617.db2.gz GKUPNFZPHMTUED-SRVKXCTJSA-N 1 1 323.401 -1.332 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CCn3cnnn3)C2)[nH]1 ZINC000970325927 662358607 /nfs/dbraw/zinc/35/86/07/662358607.db2.gz RMJZJUKAOSCLTB-SNVBAGLBSA-N 1 1 305.346 -1.120 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000970349800 662358947 /nfs/dbraw/zinc/35/89/47/662358947.db2.gz IKLKACFMDAIPLA-SECBINFHSA-N 1 1 318.341 -1.359 20 0 DAADMO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932713862 662359232 /nfs/dbraw/zinc/35/92/32/662359232.db2.gz TVHFAUFLWODDTH-ZJUUUORDSA-N 1 1 305.400 -1.398 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970355147 662359788 /nfs/dbraw/zinc/35/97/88/662359788.db2.gz WWDWAIPLZXXESH-ONGXEEELSA-N 1 1 309.370 -1.663 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970374111 662360269 /nfs/dbraw/zinc/36/02/69/662360269.db2.gz WICKEQDGHZCTDR-SECBINFHSA-N 1 1 306.330 -1.165 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970359525 662360447 /nfs/dbraw/zinc/36/04/47/662360447.db2.gz TVCTZMRDLAXDFC-KCJUWKMLSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970432461 662360931 /nfs/dbraw/zinc/36/09/31/662360931.db2.gz YLTICRPXZAQSIK-FXAINCCUSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010661298 662361433 /nfs/dbraw/zinc/36/14/33/662361433.db2.gz DITVNXWJKUGISV-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010661298 662361437 /nfs/dbraw/zinc/36/14/37/662361437.db2.gz DITVNXWJKUGISV-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)n1 ZINC001021263426 662361716 /nfs/dbraw/zinc/36/17/16/662361716.db2.gz VCZLWNROOIIADQ-FGWVZKOKSA-N 1 1 322.369 -1.519 20 0 DAADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000890988424 662362088 /nfs/dbraw/zinc/36/20/88/662362088.db2.gz OQCVMOHJSWUZID-IJLUTSLNSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000890988424 662362094 /nfs/dbraw/zinc/36/20/94/662362094.db2.gz OQCVMOHJSWUZID-IJLUTSLNSA-N 1 1 315.370 -1.118 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1nnnn1C ZINC000970445388 662362119 /nfs/dbraw/zinc/36/21/19/662362119.db2.gz FBTGVGUBYOGLIP-DTWKUNHWSA-N 1 1 305.346 -1.178 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021265197 662362136 /nfs/dbraw/zinc/36/21/36/662362136.db2.gz XPEWJOJIPONAGQ-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000970448177 662362207 /nfs/dbraw/zinc/36/22/07/662362207.db2.gz RTNRAMBDLHPBOX-SECBINFHSA-N 1 1 321.341 -1.911 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021284747 662362885 /nfs/dbraw/zinc/36/28/85/662362885.db2.gz QUOJVGFHEVIVAF-GYIHNLGQSA-N 1 1 310.354 -1.312 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970527753 662363347 /nfs/dbraw/zinc/36/33/47/662363347.db2.gz ZYKLNCSCXPELJN-NEPJUHHUSA-N 1 1 321.385 -1.089 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136678 662364166 /nfs/dbraw/zinc/36/41/66/662364166.db2.gz MFTPSWORDVBCGN-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136678 662364169 /nfs/dbraw/zinc/36/41/69/662364169.db2.gz MFTPSWORDVBCGN-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136677 662364302 /nfs/dbraw/zinc/36/43/02/662364302.db2.gz MFTPSWORDVBCGN-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136677 662364305 /nfs/dbraw/zinc/36/43/05/662364305.db2.gz MFTPSWORDVBCGN-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010695304 662364392 /nfs/dbraw/zinc/36/43/92/662364392.db2.gz QCVSNSCSJJLTBX-QWHCGFSZSA-N 1 1 308.386 -1.201 20 0 DAADMO CN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001021346820 662364783 /nfs/dbraw/zinc/36/47/83/662364783.db2.gz RLCLHYMYGANGRI-HUAZRZQGSA-N 1 1 309.370 -1.393 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970576481 662364831 /nfs/dbraw/zinc/36/48/31/662364831.db2.gz BVLJCKWLUSPCCB-KWQFWETISA-N 1 1 322.365 -1.636 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576972 662364920 /nfs/dbraw/zinc/36/49/20/662364920.db2.gz HAFZATMOLNDGOC-RKDXNWHRSA-N 1 1 324.381 -1.390 20 0 DAADMO Cn1nnc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001021351702 662365112 /nfs/dbraw/zinc/36/51/12/662365112.db2.gz DBCNDHYUJAFZRZ-GYIHNLGQSA-N 1 1 319.369 -1.176 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001021366305 662365849 /nfs/dbraw/zinc/36/58/49/662365849.db2.gz WKNGXPPWXXCWMN-YOGCLGLASA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000970637820 662366397 /nfs/dbraw/zinc/36/63/97/662366397.db2.gz LRPFUZXXZKAHBD-AXFHLTTASA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nn1 ZINC000970651436 662366522 /nfs/dbraw/zinc/36/65/22/662366522.db2.gz MOOPAABIAVRJFM-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001010727836 662367034 /nfs/dbraw/zinc/36/70/34/662367034.db2.gz XLZXWGKZTNFNPD-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)c1nnnn1C ZINC000970654063 662367051 /nfs/dbraw/zinc/36/70/51/662367051.db2.gz XQFIRMQBCWKALT-NXEZZACHSA-N 1 1 305.346 -1.247 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001010727824 662367194 /nfs/dbraw/zinc/36/71/94/662367194.db2.gz XLZXWGKZTNFNPD-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC000970675244 662368029 /nfs/dbraw/zinc/36/80/29/662368029.db2.gz CXPDYQHTDMUBHK-SNVBAGLBSA-N 1 1 320.353 -1.345 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC000970744751 662369100 /nfs/dbraw/zinc/36/91/00/662369100.db2.gz FBMBICCTTLSSKZ-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)C1 ZINC000970763175 662369565 /nfs/dbraw/zinc/36/95/65/662369565.db2.gz QOMKCDWPZDISNC-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)C1 ZINC000970763175 662369568 /nfs/dbraw/zinc/36/95/68/662369568.db2.gz QOMKCDWPZDISNC-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970764352 662370025 /nfs/dbraw/zinc/37/00/25/662370025.db2.gz ROBZYAQZHPCVDR-SKDRFNHKSA-N 1 1 308.382 -1.020 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC000970781718 662370844 /nfs/dbraw/zinc/37/08/44/662370844.db2.gz VQSTZUBDWQNXJS-MXWKQRLJSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781718 662370847 /nfs/dbraw/zinc/37/08/47/662370847.db2.gz VQSTZUBDWQNXJS-MXWKQRLJSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781718 662370851 /nfs/dbraw/zinc/37/08/51/662370851.db2.gz VQSTZUBDWQNXJS-MXWKQRLJSA-N 1 1 322.369 -1.871 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccon3)C2)nn1 ZINC000970795770 662371156 /nfs/dbraw/zinc/37/11/56/662371156.db2.gz GFYFZHIQSMIPBG-SNVBAGLBSA-N 1 1 319.325 -1.244 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517265 662371267 /nfs/dbraw/zinc/37/12/67/662371267.db2.gz RZWZOGZVCNQYQL-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000949374468 662371475 /nfs/dbraw/zinc/37/14/75/662371475.db2.gz HMLSMMDMPAVDQP-LLVKDONJSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000949374468 662371478 /nfs/dbraw/zinc/37/14/78/662371478.db2.gz HMLSMMDMPAVDQP-LLVKDONJSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)C1 ZINC000970786969 662371483 /nfs/dbraw/zinc/37/14/83/662371483.db2.gz IOFWPUSHHVWJBS-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)C1 ZINC000970786969 662371484 /nfs/dbraw/zinc/37/14/84/662371484.db2.gz IOFWPUSHHVWJBS-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)C1 ZINC000970786969 662371486 /nfs/dbraw/zinc/37/14/86/662371486.db2.gz IOFWPUSHHVWJBS-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517141 662371583 /nfs/dbraw/zinc/37/15/83/662371583.db2.gz RFVKRRLFTGNMGC-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC000970818902 662371963 /nfs/dbraw/zinc/37/19/63/662371963.db2.gz KNCSBAFRIAJCOS-SECBINFHSA-N 1 1 320.357 -1.748 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970846975 662373004 /nfs/dbraw/zinc/37/30/04/662373004.db2.gz XWDDNUNGLIENPI-BXKDBHETSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970846977 662373222 /nfs/dbraw/zinc/37/32/22/662373222.db2.gz XWDDNUNGLIENPI-CABZTGNLSA-N 1 1 319.365 -1.281 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010816421 662373361 /nfs/dbraw/zinc/37/33/61/662373361.db2.gz NGJXKUCGVWABIY-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970870436 662373436 /nfs/dbraw/zinc/37/34/36/662373436.db2.gz TWSGGIRWUZVOBH-GHMZBOCLSA-N 1 1 322.413 -1.003 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010819928 662373547 /nfs/dbraw/zinc/37/35/47/662373547.db2.gz XFSQWEBYFVOPEI-ZJUUUORDSA-N 1 1 324.337 -1.566 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970865786 662373735 /nfs/dbraw/zinc/37/37/35/662373735.db2.gz QPXRLYKJIRXXFF-YUMQZZPRSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970865785 662373779 /nfs/dbraw/zinc/37/37/79/662373779.db2.gz QPXRLYKJIRXXFF-SFYZADRCSA-N 1 1 323.353 -1.590 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC000970894691 662374032 /nfs/dbraw/zinc/37/40/32/662374032.db2.gz VQVDTDBQGRNNLG-VHSXEESVSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC000970892960 662374059 /nfs/dbraw/zinc/37/40/59/662374059.db2.gz CQPAKPTUDAKFIY-NXEZZACHSA-N 1 1 320.353 -1.442 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)[nH]1 ZINC000970894982 662374362 /nfs/dbraw/zinc/37/43/62/662374362.db2.gz XFFJXTPKRJKFPW-VHSXEESVSA-N 1 1 320.353 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccnnc3)[C@@H](O)C2)C1 ZINC000970907412 662374800 /nfs/dbraw/zinc/37/48/00/662374800.db2.gz KDIDTPSBPBNYMV-XQQFMLRXSA-N 1 1 319.365 -1.270 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010834484 662375122 /nfs/dbraw/zinc/37/51/22/662375122.db2.gz OTDBJPDEWKQCEJ-UWVGGRQHSA-N 1 1 311.342 -1.690 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970926618 662375468 /nfs/dbraw/zinc/37/54/68/662375468.db2.gz BEXOATAATNSEIN-VIFPVBQESA-N 1 1 318.324 -1.257 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970926618 662375470 /nfs/dbraw/zinc/37/54/70/662375470.db2.gz BEXOATAATNSEIN-VIFPVBQESA-N 1 1 318.324 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021587637 662375517 /nfs/dbraw/zinc/37/55/17/662375517.db2.gz MQKKCGDHTCQVJX-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970940738 662375901 /nfs/dbraw/zinc/37/59/01/662375901.db2.gz HFWYFWLCLDIIML-SNVBAGLBSA-N 1 1 323.397 -1.138 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC000970951545 662375914 /nfs/dbraw/zinc/37/59/14/662375914.db2.gz USXOGBHTJWRORF-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001021645135 662376646 /nfs/dbraw/zinc/37/66/46/662376646.db2.gz KTAKWQIDZGTSHH-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@H]32)c1=O ZINC001021618209 662376684 /nfs/dbraw/zinc/37/66/84/662376684.db2.gz CQPQSFGFRDOHQX-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@@H]32)c1=O ZINC001021618211 662376839 /nfs/dbraw/zinc/37/68/39/662376839.db2.gz CQPQSFGFRDOHQX-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010877491 662377196 /nfs/dbraw/zinc/37/71/96/662377196.db2.gz WBNPGYGDJXRLCH-SNVBAGLBSA-N 1 1 323.357 -2.175 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010877491 662377197 /nfs/dbraw/zinc/37/71/97/662377197.db2.gz WBNPGYGDJXRLCH-SNVBAGLBSA-N 1 1 323.357 -2.175 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001010878962 662377256 /nfs/dbraw/zinc/37/72/56/662377256.db2.gz TXUPXZUHAIUZPH-LLVKDONJSA-N 1 1 309.326 -1.315 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001010878962 662377258 /nfs/dbraw/zinc/37/72/58/662377258.db2.gz TXUPXZUHAIUZPH-LLVKDONJSA-N 1 1 309.326 -1.315 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661073 662377330 /nfs/dbraw/zinc/37/73/30/662377330.db2.gz JYONCJDRLXDXIF-VHSXEESVSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661073 662377331 /nfs/dbraw/zinc/37/73/31/662377331.db2.gz JYONCJDRLXDXIF-VHSXEESVSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)nn1 ZINC001010858090 662377370 /nfs/dbraw/zinc/37/73/70/662377370.db2.gz ANBMBGJBPMHDNM-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)nn1 ZINC001010858090 662377373 /nfs/dbraw/zinc/37/73/73/662377373.db2.gz ANBMBGJBPMHDNM-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010877490 662377402 /nfs/dbraw/zinc/37/74/02/662377402.db2.gz WBNPGYGDJXRLCH-JTQLQIEISA-N 1 1 323.357 -2.175 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010877490 662377405 /nfs/dbraw/zinc/37/74/05/662377405.db2.gz WBNPGYGDJXRLCH-JTQLQIEISA-N 1 1 323.357 -2.175 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971047575 662377843 /nfs/dbraw/zinc/37/78/43/662377843.db2.gz BSANVIFUENTYTM-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021687552 662378076 /nfs/dbraw/zinc/37/80/76/662378076.db2.gz INJDZTVKVSLOMK-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047386 662378252 /nfs/dbraw/zinc/37/82/52/662378252.db2.gz YYVMQQUTSDILTF-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cnnn2)C1 ZINC001021698778 662378486 /nfs/dbraw/zinc/37/84/86/662378486.db2.gz DVYFXKWCYVBYSX-VXGBXAGGSA-N 1 1 321.385 -1.139 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001038204851 662378736 /nfs/dbraw/zinc/37/87/36/662378736.db2.gz MJZDGLGFUUBLMC-CYBMUJFWSA-N 1 1 306.370 -1.053 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001038204851 662378739 /nfs/dbraw/zinc/37/87/39/662378739.db2.gz MJZDGLGFUUBLMC-CYBMUJFWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021730664 662378902 /nfs/dbraw/zinc/37/89/02/662378902.db2.gz PKPKTDRCPOHAGK-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021730667 662378985 /nfs/dbraw/zinc/37/89/85/662378985.db2.gz PKPKTDRCPOHAGK-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@@H]1C[NH+](CCN2CCN3[C@@H](CNS3(=O)=O)C2)C[C@@H](C)O1 ZINC000933095504 662379978 /nfs/dbraw/zinc/37/99/78/662379978.db2.gz IHKYBLOCWUIANV-UPJWGTAASA-N 1 1 318.443 -1.070 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971243475 662380111 /nfs/dbraw/zinc/38/01/11/662380111.db2.gz ZOQDYHZBLHIOMP-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933096832 662380144 /nfs/dbraw/zinc/38/01/44/662380144.db2.gz OWNPMYNCZCHYSF-RYUDHWBXSA-N 1 1 322.431 -2.240 20 0 DAADMO CC(C)OCC[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100888 662380531 /nfs/dbraw/zinc/38/05/31/662380531.db2.gz NZALUKBXQKIPJQ-NEPJUHHUSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)OCC[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100888 662380532 /nfs/dbraw/zinc/38/05/32/662380532.db2.gz NZALUKBXQKIPJQ-NEPJUHHUSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933102231 662380650 /nfs/dbraw/zinc/38/06/50/662380650.db2.gz XUJHYYMZLBXVKB-NWDGAFQWSA-N 1 1 306.432 -1.478 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933102578 662380718 /nfs/dbraw/zinc/38/07/18/662380718.db2.gz ZUWIZBWDCIKYKI-NEPJUHHUSA-N 1 1 304.416 -1.724 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971377196 662381267 /nfs/dbraw/zinc/38/12/67/662381267.db2.gz VECOXVDLNOAETA-NSHDSACASA-N 1 1 320.357 -1.192 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1)c1nnnn1C ZINC001021854966 662381784 /nfs/dbraw/zinc/38/17/84/662381784.db2.gz RKVKNICFLNTRMM-UKKRHICBSA-N 1 1 310.358 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137271 662381788 /nfs/dbraw/zinc/38/17/88/662381788.db2.gz OUQTWZVNKBZHNJ-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137271 662381790 /nfs/dbraw/zinc/38/17/90/662381790.db2.gz OUQTWZVNKBZHNJ-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001021927954 662382878 /nfs/dbraw/zinc/38/28/78/662382878.db2.gz KATMWYAJUIOIHP-WYUUTHIRSA-N 1 1 323.401 -1.162 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCNC1=O ZINC001039399847 662383418 /nfs/dbraw/zinc/38/34/18/662383418.db2.gz XOKVUEJREKJYGE-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCNC1=O ZINC001039399847 662383420 /nfs/dbraw/zinc/38/34/20/662383420.db2.gz XOKVUEJREKJYGE-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC000971449978 662383720 /nfs/dbraw/zinc/38/37/20/662383720.db2.gz XQSXDCJHFFNPED-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001021989802 662384035 /nfs/dbraw/zinc/38/40/35/662384035.db2.gz DKWUAVDNPUPHPI-AXFHLTTASA-N 1 1 309.374 -1.723 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971567637 662385165 /nfs/dbraw/zinc/38/51/65/662385165.db2.gz SRBIMOIBSPQGAN-IUCAKERBSA-N 1 1 323.357 -2.217 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n[nH]1 ZINC001022061117 662385266 /nfs/dbraw/zinc/38/52/66/662385266.db2.gz VJSLUWACTBRQMQ-KXUCPTDWSA-N 1 1 320.353 -1.302 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971609391 662386313 /nfs/dbraw/zinc/38/63/13/662386313.db2.gz DDQQVVJWOXAETQ-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971609391 662386315 /nfs/dbraw/zinc/38/63/15/662386315.db2.gz DDQQVVJWOXAETQ-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2nccn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971609060 662386342 /nfs/dbraw/zinc/38/63/42/662386342.db2.gz SHBHZWUFBPWPBM-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO Cn1nnnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137914 662386618 /nfs/dbraw/zinc/38/66/18/662386618.db2.gz SQISYBKHQOGMTQ-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137914 662386620 /nfs/dbraw/zinc/38/66/20/662386620.db2.gz SQISYBKHQOGMTQ-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001022098009 662386659 /nfs/dbraw/zinc/38/66/59/662386659.db2.gz GXBKOCHXFHIPHQ-CHWFTXMASA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640220 662387237 /nfs/dbraw/zinc/38/72/37/662387237.db2.gz DAVWTZSODVUIMA-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC000971639813 662387340 /nfs/dbraw/zinc/38/73/40/662387340.db2.gz BQLZOYAUHQWUNR-SNVBAGLBSA-N 1 1 323.353 -2.435 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC000971639813 662387341 /nfs/dbraw/zinc/38/73/41/662387341.db2.gz BQLZOYAUHQWUNR-SNVBAGLBSA-N 1 1 323.353 -2.435 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCO ZINC000947460153 662387387 /nfs/dbraw/zinc/38/73/87/662387387.db2.gz RLZWCHKMKAPEJR-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000971640764 662387410 /nfs/dbraw/zinc/38/74/10/662387410.db2.gz IEEOUHGAGUOLEK-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001022194757 662388054 /nfs/dbraw/zinc/38/80/54/662388054.db2.gz PWOIUIQHNKGGSZ-GARJFASQSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001022207240 662388118 /nfs/dbraw/zinc/38/81/18/662388118.db2.gz KZGJMRVCKIVJME-DTORHVGOSA-N 1 1 318.341 -1.150 20 0 DAADMO Cn1nnc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001038138341 662388180 /nfs/dbraw/zinc/38/81/80/662388180.db2.gz VKKLROXYPNDJEY-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001038138341 662388182 /nfs/dbraw/zinc/38/81/82/662388182.db2.gz VKKLROXYPNDJEY-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001022160049 662388295 /nfs/dbraw/zinc/38/82/95/662388295.db2.gz AMTQYWMSVYVAAB-XWLWVQCSSA-N 1 1 321.385 -1.014 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001022218039 662388639 /nfs/dbraw/zinc/38/86/39/662388639.db2.gz CZSXDEZNOOTFLL-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO CN(CC(N)=O)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971679806 662388725 /nfs/dbraw/zinc/38/87/25/662388725.db2.gz VJCZLZRDQADRED-QWHCGFSZSA-N 1 1 322.413 -1.169 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001022218219 662388732 /nfs/dbraw/zinc/38/87/32/662388732.db2.gz JEOYJOWPPHLXFM-RNJXMRFFSA-N 1 1 322.329 -2.455 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)C1=O ZINC000888979491 662388908 /nfs/dbraw/zinc/38/89/08/662388908.db2.gz VJWDOQCKYCPQMK-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001022234129 662388940 /nfs/dbraw/zinc/38/89/40/662388940.db2.gz OTHYTLUAQSJSJP-KXUCPTDWSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)cc1=O ZINC000971709236 662388959 /nfs/dbraw/zinc/38/89/59/662388959.db2.gz KJPMKTAKTJMGNX-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000971709831 662388985 /nfs/dbraw/zinc/38/89/85/662388985.db2.gz NHDZABLUNSOKCH-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)cc1=O ZINC000971709233 662389179 /nfs/dbraw/zinc/38/91/79/662389179.db2.gz KJPMKTAKTJMGNX-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001022278212 662389775 /nfs/dbraw/zinc/38/97/75/662389775.db2.gz HVWGKLCJHIBXGA-RBZYPMLTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001038221279 662390042 /nfs/dbraw/zinc/39/00/42/662390042.db2.gz LLUFBPAWZKVJFC-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001038221279 662390043 /nfs/dbraw/zinc/39/00/43/662390043.db2.gz LLUFBPAWZKVJFC-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001022343981 662390663 /nfs/dbraw/zinc/39/06/63/662390663.db2.gz XKEJGKZQVYIFGK-ZRUFSTJUSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001022343934 662390722 /nfs/dbraw/zinc/39/07/22/662390722.db2.gz XKEJGKZQVYIFGK-DBIOUOCHSA-N 1 1 321.385 -1.138 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001022354617 662391241 /nfs/dbraw/zinc/39/12/41/662391241.db2.gz WNLXWALAZBUBGC-OCAPTIKFSA-N 1 1 307.314 -1.793 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971824694 662391279 /nfs/dbraw/zinc/39/12/79/662391279.db2.gz RKWSDOCKFUXYGG-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)N1CCNC(=O)C1 ZINC001022352112 662391337 /nfs/dbraw/zinc/39/13/37/662391337.db2.gz KAAZJSWGKYRFAC-DTORHVGOSA-N 1 1 321.341 -2.387 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)c1=O ZINC000971821524 662391375 /nfs/dbraw/zinc/39/13/75/662391375.db2.gz MTPIEPLXPBAVIN-GHMZBOCLSA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCCNC3=O)C2)n1 ZINC001022362493 662391518 /nfs/dbraw/zinc/39/15/18/662391518.db2.gz RWURWCXGJXJZRS-PHIMTYICSA-N 1 1 321.385 -1.033 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC000933797966 662391796 /nfs/dbraw/zinc/39/17/96/662391796.db2.gz JNYSFHGFIKJJIH-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000933926628 662392488 /nfs/dbraw/zinc/39/24/88/662392488.db2.gz FXIJZVHHNNFOAQ-ZJUUUORDSA-N 1 1 303.384 -1.642 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000933926628 662392493 /nfs/dbraw/zinc/39/24/93/662392493.db2.gz FXIJZVHHNNFOAQ-ZJUUUORDSA-N 1 1 303.384 -1.642 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971884766 662393216 /nfs/dbraw/zinc/39/32/16/662393216.db2.gz AANMMCJIDANEFM-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H]1CO)c(=O)n2C ZINC000934020662 662393232 /nfs/dbraw/zinc/39/32/32/662393232.db2.gz GYKOVJWZWBDRBS-JTQLQIEISA-N 1 1 307.354 -1.110 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971883240 662393518 /nfs/dbraw/zinc/39/35/18/662393518.db2.gz ZJSOAQRLHFTKHX-SECBINFHSA-N 1 1 309.326 -2.033 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971883240 662393520 /nfs/dbraw/zinc/39/35/20/662393520.db2.gz ZJSOAQRLHFTKHX-SECBINFHSA-N 1 1 309.326 -2.033 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884202 662393560 /nfs/dbraw/zinc/39/35/60/662393560.db2.gz FTUQOPJVSQIROF-UWVGGRQHSA-N 1 1 323.353 -1.645 20 0 DAADMO O=C(NCC(=O)N1CCNCC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891970989 662394108 /nfs/dbraw/zinc/39/41/08/662394108.db2.gz LJWCLOSDOQHEHW-SNVBAGLBSA-N 1 1 319.356 -1.038 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001022540401 662394303 /nfs/dbraw/zinc/39/43/03/662394303.db2.gz WSXZAXKASMGHRR-UTINFBMNSA-N 1 1 307.358 -1.542 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1CCNC1=O ZINC001022536934 662394579 /nfs/dbraw/zinc/39/45/79/662394579.db2.gz DITFWZVVWXVJQE-NGZCFLSTSA-N 1 1 319.369 -1.119 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001022545104 662394786 /nfs/dbraw/zinc/39/47/86/662394786.db2.gz MIBGBGAUWPMDOR-OCAPTIKFSA-N 1 1 306.330 -1.300 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)c1nnnn1C ZINC001022542502 662394852 /nfs/dbraw/zinc/39/48/52/662394852.db2.gz KTRJBSDDZMKDOK-DOLQZWNJSA-N 1 1 307.358 -1.356 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1)c1nnnn1C ZINC001022542504 662395023 /nfs/dbraw/zinc/39/50/23/662395023.db2.gz KTRJBSDDZMKDOK-IMSYWVGJSA-N 1 1 307.358 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022548223 662395559 /nfs/dbraw/zinc/39/55/59/662395559.db2.gz HYWLGPJRLICBJK-AXFHLTTASA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022548223 662395560 /nfs/dbraw/zinc/39/55/60/662395560.db2.gz HYWLGPJRLICBJK-AXFHLTTASA-N 1 1 310.354 -2.138 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555776 662396201 /nfs/dbraw/zinc/39/62/01/662396201.db2.gz WTOUWJFWSRVXQH-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555776 662396203 /nfs/dbraw/zinc/39/62/03/662396203.db2.gz WTOUWJFWSRVXQH-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001022558582 662396322 /nfs/dbraw/zinc/39/63/22/662396322.db2.gz JOECHZRBVJRVNJ-WDEREUQCSA-N 1 1 305.338 -1.264 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971952339 662396576 /nfs/dbraw/zinc/39/65/76/662396576.db2.gz JFCGAJJYGACBCA-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)CC[N@H+]1C ZINC001022558977 662396755 /nfs/dbraw/zinc/39/67/55/662396755.db2.gz RTEQEHSFYPVORU-WRWGMCAJSA-N 1 1 308.382 -1.129 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)ncc1=O ZINC000971965670 662396867 /nfs/dbraw/zinc/39/68/67/662396867.db2.gz FUWNHCFYCPWDSI-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001022579197 662397100 /nfs/dbraw/zinc/39/71/00/662397100.db2.gz MOTPPHGMVFAVCT-RBZYPMLTSA-N 1 1 321.385 -1.137 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971996854 662397648 /nfs/dbraw/zinc/39/76/48/662397648.db2.gz ISNPCNSIWQXMDN-MNOVXSKESA-N 1 1 317.411 -1.159 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001022629359 662398197 /nfs/dbraw/zinc/39/81/97/662398197.db2.gz AWPOAVBCVDUXBP-NGZCFLSTSA-N 1 1 307.358 -1.284 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001022631402 662398697 /nfs/dbraw/zinc/39/86/97/662398697.db2.gz ZWMIDVCNGPIDJW-YIZRAAEISA-N 1 1 323.357 -1.446 20 0 DAADMO Cc1nc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)nn1-c1nc[nH]n1 ZINC000972050093 662398828 /nfs/dbraw/zinc/39/88/28/662398828.db2.gz VECDVTULAVDXFC-SNVBAGLBSA-N 1 1 320.357 -1.168 20 0 DAADMO CN1CC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001022651622 662398879 /nfs/dbraw/zinc/39/88/79/662398879.db2.gz FPRSSLWRTSSECW-YIZRAAEISA-N 1 1 321.337 -1.219 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)[C@H]1CCNC1=O ZINC000972074749 662399229 /nfs/dbraw/zinc/39/92/29/662399229.db2.gz CKMTVJPJGOHEDD-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078121 662399834 /nfs/dbraw/zinc/39/98/34/662399834.db2.gz DBEOUOOCDZQFHV-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078124 662399943 /nfs/dbraw/zinc/39/99/43/662399943.db2.gz DBEOUOOCDZQFHV-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001022701058 662400706 /nfs/dbraw/zinc/40/07/06/662400706.db2.gz KVDPFTREGGRGPZ-RWEMILLDSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCCN(C)C3=O)C2)n1 ZINC000972115862 662401216 /nfs/dbraw/zinc/40/12/16/662401216.db2.gz MKPXETIKVCONJY-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC000972116967 662401402 /nfs/dbraw/zinc/40/14/02/662401402.db2.gz REBFEVYLMSKELS-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)CC2 ZINC000972180213 662402428 /nfs/dbraw/zinc/40/24/28/662402428.db2.gz WFEQEJUWMJJDMR-GHMZBOCLSA-N 1 1 320.397 -1.062 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)CC2 ZINC000972180213 662402432 /nfs/dbraw/zinc/40/24/32/662402432.db2.gz WFEQEJUWMJJDMR-GHMZBOCLSA-N 1 1 320.397 -1.062 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972200500 662403015 /nfs/dbraw/zinc/40/30/15/662403015.db2.gz ROCMSEYJHOYQPJ-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972200497 662403250 /nfs/dbraw/zinc/40/32/50/662403250.db2.gz ROCMSEYJHOYQPJ-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205602 662403482 /nfs/dbraw/zinc/40/34/82/662403482.db2.gz DYKUCUXWWIOQRV-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205602 662403485 /nfs/dbraw/zinc/40/34/85/662403485.db2.gz DYKUCUXWWIOQRV-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO Cn1c(C[N@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC000972225178 662403888 /nfs/dbraw/zinc/40/38/88/662403888.db2.gz XEHBWHDEFWBTFV-VIFPVBQESA-N 1 1 323.353 -2.398 20 0 DAADMO Cn1c(C[N@@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC000972225178 662403898 /nfs/dbraw/zinc/40/38/98/662403898.db2.gz XEHBWHDEFWBTFV-VIFPVBQESA-N 1 1 323.353 -2.398 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217210 662403912 /nfs/dbraw/zinc/40/39/12/662403912.db2.gz SVGHORPFJPWMAO-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217210 662403915 /nfs/dbraw/zinc/40/39/15/662403915.db2.gz SVGHORPFJPWMAO-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212141 662403940 /nfs/dbraw/zinc/40/39/40/662403940.db2.gz JQYVUNANVNQDPG-JTQLQIEISA-N 1 1 318.337 -1.459 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972223738 662403990 /nfs/dbraw/zinc/40/39/90/662403990.db2.gz HTOGJXYHLBDKEB-NXEZZACHSA-N 1 1 322.365 -1.410 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215987 662404136 /nfs/dbraw/zinc/40/41/36/662404136.db2.gz LMKCUMVWHYCNPW-VHSXEESVSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215987 662404139 /nfs/dbraw/zinc/40/41/39/662404139.db2.gz LMKCUMVWHYCNPW-VHSXEESVSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000972243366 662404271 /nfs/dbraw/zinc/40/42/71/662404271.db2.gz SKLGIPBAPWXIHY-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217794 662404426 /nfs/dbraw/zinc/40/44/26/662404426.db2.gz WYMIWHYVXIKBLU-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217794 662404428 /nfs/dbraw/zinc/40/44/28/662404428.db2.gz WYMIWHYVXIKBLU-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217793 662404634 /nfs/dbraw/zinc/40/46/34/662404634.db2.gz WYMIWHYVXIKBLU-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217793 662404639 /nfs/dbraw/zinc/40/46/39/662404639.db2.gz WYMIWHYVXIKBLU-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214324 662404681 /nfs/dbraw/zinc/40/46/81/662404681.db2.gz XIEWSCDQHBUAMU-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO O=C(CCn1cncn1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972262412 662405674 /nfs/dbraw/zinc/40/56/74/662405674.db2.gz WOYQOGNLCVBYDL-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(CCn1cncn1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972262412 662405679 /nfs/dbraw/zinc/40/56/79/662405679.db2.gz WOYQOGNLCVBYDL-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)S1(=O)=O ZINC000888980533 662405699 /nfs/dbraw/zinc/40/56/99/662405699.db2.gz GEDLLVFWMCFFPO-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)S1(=O)=O ZINC000888980533 662405703 /nfs/dbraw/zinc/40/57/03/662405703.db2.gz GEDLLVFWMCFFPO-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](C)CC1 ZINC000888980740 662405752 /nfs/dbraw/zinc/40/57/52/662405752.db2.gz NYJVDWJYIRVBKB-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972250054 662405786 /nfs/dbraw/zinc/40/57/86/662405786.db2.gz TVGDCKRFLIIPDT-CYBMUJFWSA-N 1 1 310.358 -1.377 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972250054 662405789 /nfs/dbraw/zinc/40/57/89/662405789.db2.gz TVGDCKRFLIIPDT-CYBMUJFWSA-N 1 1 310.358 -1.377 20 0 DAADMO CN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](C)CC1 ZINC000888980739 662405803 /nfs/dbraw/zinc/40/58/03/662405803.db2.gz NYJVDWJYIRVBKB-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022782995 662406268 /nfs/dbraw/zinc/40/62/68/662406268.db2.gz KPZQFNLGEXPTNG-OOZYFLPDSA-N 1 1 324.366 -1.127 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000972298262 662406416 /nfs/dbraw/zinc/40/64/16/662406416.db2.gz XJSFAJLFVCVREA-MRVPVSSYSA-N 1 1 317.371 -1.804 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022784530 662406980 /nfs/dbraw/zinc/40/69/80/662406980.db2.gz JARQGIUZLLGCKK-OOZYFLPDSA-N 1 1 324.366 -1.127 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972339261 662407882 /nfs/dbraw/zinc/40/78/82/662407882.db2.gz OKZPLTYJGWWCHY-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972339261 662407885 /nfs/dbraw/zinc/40/78/85/662407885.db2.gz OKZPLTYJGWWCHY-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574679 662407970 /nfs/dbraw/zinc/40/79/70/662407970.db2.gz KZJSBAILGCVIKA-MIMYLULJSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574679 662407973 /nfs/dbraw/zinc/40/79/73/662407973.db2.gz KZJSBAILGCVIKA-MIMYLULJSA-N 1 1 315.395 -1.502 20 0 DAADMO Cn1oc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)cc1=O ZINC000972353652 662408225 /nfs/dbraw/zinc/40/82/25/662408225.db2.gz URNLHEJSLALTEK-CQSZACIVSA-N 1 1 311.338 -1.113 20 0 DAADMO Cn1oc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)cc1=O ZINC000972353652 662408230 /nfs/dbraw/zinc/40/82/30/662408230.db2.gz URNLHEJSLALTEK-CQSZACIVSA-N 1 1 311.338 -1.113 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972345147 662408318 /nfs/dbraw/zinc/40/83/18/662408318.db2.gz BILYYTVPSCLDEH-HNNXBMFYSA-N 1 1 313.398 -1.386 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972345147 662408320 /nfs/dbraw/zinc/40/83/20/662408320.db2.gz BILYYTVPSCLDEH-HNNXBMFYSA-N 1 1 313.398 -1.386 20 0 DAADMO Cn1oc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)cc1=O ZINC000972353651 662408356 /nfs/dbraw/zinc/40/83/56/662408356.db2.gz URNLHEJSLALTEK-AWEZNQCLSA-N 1 1 311.338 -1.113 20 0 DAADMO Cn1oc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)cc1=O ZINC000972353651 662408357 /nfs/dbraw/zinc/40/83/57/662408357.db2.gz URNLHEJSLALTEK-AWEZNQCLSA-N 1 1 311.338 -1.113 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972349286 662408498 /nfs/dbraw/zinc/40/84/98/662408498.db2.gz YGKNVFKUIGABDN-UKRRQHHQSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972349286 662408500 /nfs/dbraw/zinc/40/85/00/662408500.db2.gz YGKNVFKUIGABDN-UKRRQHHQSA-N 1 1 313.398 -1.387 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381627 662409248 /nfs/dbraw/zinc/40/92/48/662409248.db2.gz SKOCFNIBQLCAAP-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381627 662409250 /nfs/dbraw/zinc/40/92/50/662409250.db2.gz SKOCFNIBQLCAAP-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1O ZINC001022854267 662411087 /nfs/dbraw/zinc/41/10/87/662411087.db2.gz ORFNDKQTSCHEAT-FRRDWIJNSA-N 1 1 309.370 -1.479 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001022862146 662412031 /nfs/dbraw/zinc/41/20/31/662412031.db2.gz VVMAUDHMZWJTIR-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022864365 662413121 /nfs/dbraw/zinc/41/31/21/662413121.db2.gz LSDOCDOCJDBOIP-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022864365 662413126 /nfs/dbraw/zinc/41/31/26/662413126.db2.gz LSDOCDOCJDBOIP-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)CC[N@H+]1C ZINC000972418163 662414674 /nfs/dbraw/zinc/41/46/74/662414674.db2.gz ZAPLNVIIRBOGCF-DDHJBXDOSA-N 1 1 308.382 -1.129 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972404549 662414887 /nfs/dbraw/zinc/41/48/87/662414887.db2.gz GNBRBLKPTIVTKJ-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972404549 662414893 /nfs/dbraw/zinc/41/48/93/662414893.db2.gz GNBRBLKPTIVTKJ-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)cc1=O ZINC000972423427 662415067 /nfs/dbraw/zinc/41/50/67/662415067.db2.gz VLUHVQOFEUQWHF-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)cc1=O ZINC000972423427 662415069 /nfs/dbraw/zinc/41/50/69/662415069.db2.gz VLUHVQOFEUQWHF-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1 ZINC001022889927 662415088 /nfs/dbraw/zinc/41/50/88/662415088.db2.gz HDWSRZIGEILQDH-GMTAPVOTSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1 ZINC001022889927 662415090 /nfs/dbraw/zinc/41/50/90/662415090.db2.gz HDWSRZIGEILQDH-GMTAPVOTSA-N 1 1 317.361 -1.247 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972443568 662416615 /nfs/dbraw/zinc/41/66/15/662416615.db2.gz JEDXMPHZXPJOCQ-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972443568 662416618 /nfs/dbraw/zinc/41/66/18/662416618.db2.gz JEDXMPHZXPJOCQ-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000972451938 662417670 /nfs/dbraw/zinc/41/76/70/662417670.db2.gz GSIKCURFUWWEMX-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000972451938 662417680 /nfs/dbraw/zinc/41/76/80/662417680.db2.gz GSIKCURFUWWEMX-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)C1=O ZINC000972471767 662418027 /nfs/dbraw/zinc/41/80/27/662418027.db2.gz HLBQVLFQEMOZNI-VIFPVBQESA-N 1 1 312.326 -2.068 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC001022950148 662419129 /nfs/dbraw/zinc/41/91/29/662419129.db2.gz MLYIRPYBZSTITG-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC000972473581 662419169 /nfs/dbraw/zinc/41/91/69/662419169.db2.gz VSPVCENOPZZBEV-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO CN1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@@H+](C)CC1 ZINC000888983860 662419884 /nfs/dbraw/zinc/41/98/84/662419884.db2.gz SNNNHPLMOIUGTI-MGPQQGTHSA-N 1 1 313.398 -1.895 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1)c1nnnn1C ZINC001022955586 662420356 /nfs/dbraw/zinc/42/03/56/662420356.db2.gz DUWJMPYPIJGQTI-HLTSFMKQSA-N 1 1 305.346 -1.131 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001022968572 662420612 /nfs/dbraw/zinc/42/06/12/662420612.db2.gz JSLUHQBAGDMOMM-DTORHVGOSA-N 1 1 322.325 -1.300 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022994991 662421881 /nfs/dbraw/zinc/42/18/81/662421881.db2.gz GVLPUSYYAFUQPE-TUAOUCFPSA-N 1 1 321.385 -1.042 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001022996060 662421945 /nfs/dbraw/zinc/42/19/45/662421945.db2.gz IWHSOBSSUKGKCB-QEYWKRMJSA-N 1 1 307.358 -1.214 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001023006413 662422231 /nfs/dbraw/zinc/42/22/31/662422231.db2.gz IKMUFCVSRXVTSX-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001023037692 662425165 /nfs/dbraw/zinc/42/51/65/662425165.db2.gz NMMKRCJLXAVVIZ-OUAUKWLOSA-N 1 1 321.385 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1 ZINC001023052820 662425704 /nfs/dbraw/zinc/42/57/04/662425704.db2.gz WJVFFAMFRWIYRB-UPJWGTAASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1 ZINC001023052820 662425707 /nfs/dbraw/zinc/42/57/07/662425707.db2.gz WJVFFAMFRWIYRB-UPJWGTAASA-N 1 1 323.349 -1.088 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c(=O)n1C ZINC001023042105 662425779 /nfs/dbraw/zinc/42/57/79/662425779.db2.gz YMPMXVJSYMRXMC-AOOOYVTPSA-N 1 1 321.341 -1.290 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972506177 662426162 /nfs/dbraw/zinc/42/61/62/662426162.db2.gz GLRSPNVRPQAFJJ-SNVBAGLBSA-N 1 1 309.374 -1.186 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972506177 662426168 /nfs/dbraw/zinc/42/61/68/662426168.db2.gz GLRSPNVRPQAFJJ-SNVBAGLBSA-N 1 1 309.374 -1.186 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001023064873 662426953 /nfs/dbraw/zinc/42/69/53/662426953.db2.gz SRTKGVUUIFJZLY-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)o1 ZINC001023064505 662427003 /nfs/dbraw/zinc/42/70/03/662427003.db2.gz KNOFHWMXBLPQTP-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001023066881 662427220 /nfs/dbraw/zinc/42/72/20/662427220.db2.gz XDFQPHLVJWPJQE-DTORHVGOSA-N 1 1 322.325 -1.300 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001023064065 662427323 /nfs/dbraw/zinc/42/73/23/662427323.db2.gz AQQOUBRAVUZEJD-AOOOYVTPSA-N 1 1 318.337 -1.235 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001023064552 662427340 /nfs/dbraw/zinc/42/73/40/662427340.db2.gz LPANHMQJPVIWBK-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001023069240 662427554 /nfs/dbraw/zinc/42/75/54/662427554.db2.gz ZWVXJDUTNDHBGU-DTORHVGOSA-N 1 1 321.341 -1.904 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254235 662427777 /nfs/dbraw/zinc/42/77/77/662427777.db2.gz ICVROAKWUQDAFP-MNOVXSKESA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254235 662427782 /nfs/dbraw/zinc/42/77/82/662427782.db2.gz ICVROAKWUQDAFP-MNOVXSKESA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254237 662427881 /nfs/dbraw/zinc/42/78/81/662427881.db2.gz ICVROAKWUQDAFP-QWRGUYRKSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254237 662427883 /nfs/dbraw/zinc/42/78/83/662427883.db2.gz ICVROAKWUQDAFP-QWRGUYRKSA-N 1 1 307.354 -1.055 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001023119103 662431785 /nfs/dbraw/zinc/43/17/85/662431785.db2.gz PQZBRZZJQDAWJH-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001023135141 662432686 /nfs/dbraw/zinc/43/26/86/662432686.db2.gz UWFLYLHRGYDUCL-GARJFASQSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023136719 662433129 /nfs/dbraw/zinc/43/31/29/662433129.db2.gz FALXSOFHPFZTRI-YUSALJHKSA-N 1 1 308.338 -1.072 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972520271 662433992 /nfs/dbraw/zinc/43/39/92/662433992.db2.gz RKPCRSHPAVXXBV-IUODEOHRSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972520271 662433996 /nfs/dbraw/zinc/43/39/96/662433996.db2.gz RKPCRSHPAVXXBV-IUODEOHRSA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000972520604 662434870 /nfs/dbraw/zinc/43/48/70/662434870.db2.gz KERDWMHUUDUBCM-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023164870 662435630 /nfs/dbraw/zinc/43/56/30/662435630.db2.gz HLNAQEMLENWWCF-RAIGVLPGSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001023176885 662436711 /nfs/dbraw/zinc/43/67/11/662436711.db2.gz LDZOUMIRNZYJGF-BBBLOLIVSA-N 1 1 320.353 -1.395 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC001023175820 662436913 /nfs/dbraw/zinc/43/69/13/662436913.db2.gz GKUPNFZPHMTUED-SDDRHHMPSA-N 1 1 323.401 -1.332 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972525164 662437476 /nfs/dbraw/zinc/43/74/76/662437476.db2.gz ZHWGWWZDDPRSLV-CQSZACIVSA-N 1 1 308.338 -1.321 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972525164 662437477 /nfs/dbraw/zinc/43/74/77/662437477.db2.gz ZHWGWWZDDPRSLV-CQSZACIVSA-N 1 1 308.338 -1.321 20 0 DAADMO Cn1nccc1CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972525969 662437791 /nfs/dbraw/zinc/43/77/91/662437791.db2.gz FSJGFBCSVQUBDM-HNNXBMFYSA-N 1 1 321.381 -1.249 20 0 DAADMO Cn1nccc1CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972525969 662437798 /nfs/dbraw/zinc/43/77/98/662437798.db2.gz FSJGFBCSVQUBDM-HNNXBMFYSA-N 1 1 321.381 -1.249 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000972525781 662437892 /nfs/dbraw/zinc/43/78/92/662437892.db2.gz CGESQCAIIVHYIE-RISCZKNCSA-N 1 1 312.370 -1.383 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000972525781 662437897 /nfs/dbraw/zinc/43/78/97/662437897.db2.gz CGESQCAIIVHYIE-RISCZKNCSA-N 1 1 312.370 -1.383 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001023191964 662437925 /nfs/dbraw/zinc/43/79/25/662437925.db2.gz CCKLREYBSHSTSP-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O ZINC001023193288 662438238 /nfs/dbraw/zinc/43/82/38/662438238.db2.gz SSFCVXNAILYVGB-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001023193288 662438240 /nfs/dbraw/zinc/43/82/40/662438240.db2.gz SSFCVXNAILYVGB-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001023193288 662438242 /nfs/dbraw/zinc/43/82/42/662438242.db2.gz SSFCVXNAILYVGB-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000972525783 662438251 /nfs/dbraw/zinc/43/82/51/662438251.db2.gz CGESQCAIIVHYIE-SMDDNHRTSA-N 1 1 312.370 -1.383 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000972525783 662438252 /nfs/dbraw/zinc/43/82/52/662438252.db2.gz CGESQCAIIVHYIE-SMDDNHRTSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001023212531 662441274 /nfs/dbraw/zinc/44/12/74/662441274.db2.gz HKNSJVNQRODKGO-OUAUKWLOSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001023212558 662441340 /nfs/dbraw/zinc/44/13/40/662441340.db2.gz ICYOYSPQAVGTFN-OUAUKWLOSA-N 1 1 309.326 -1.535 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023212349 662441461 /nfs/dbraw/zinc/44/14/61/662441461.db2.gz BNYNAWWEAKDGTG-OPRDCNLKSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023212349 662441466 /nfs/dbraw/zinc/44/14/66/662441466.db2.gz BNYNAWWEAKDGTG-OPRDCNLKSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O ZINC001023212710 662441575 /nfs/dbraw/zinc/44/15/75/662441575.db2.gz NYCFMISAHGHGHE-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001023214164 662442761 /nfs/dbraw/zinc/44/27/61/662442761.db2.gz CPCIQBFYIUECDI-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1O ZINC001023214165 662442988 /nfs/dbraw/zinc/44/29/88/662442988.db2.gz CPCIQBFYIUECDI-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1 ZINC001023247473 662443859 /nfs/dbraw/zinc/44/38/59/662443859.db2.gz PUACCVAATWCEFB-MCIONIFRSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1 ZINC001023247473 662443863 /nfs/dbraw/zinc/44/38/63/662443863.db2.gz PUACCVAATWCEFB-MCIONIFRSA-N 1 1 323.393 -1.029 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CCC(=O)N1 ZINC000972538985 662444056 /nfs/dbraw/zinc/44/40/56/662444056.db2.gz BKNZUXOLWVCXHN-GJZGRUSLSA-N 1 1 311.382 -1.049 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CCC(=O)N1 ZINC000972538985 662444058 /nfs/dbraw/zinc/44/40/58/662444058.db2.gz BKNZUXOLWVCXHN-GJZGRUSLSA-N 1 1 311.382 -1.049 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023284164 662444534 /nfs/dbraw/zinc/44/45/34/662444534.db2.gz BBPICTFQRITGNS-GMTAPVOTSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023284164 662444536 /nfs/dbraw/zinc/44/45/36/662444536.db2.gz BBPICTFQRITGNS-GMTAPVOTSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023280913 662444631 /nfs/dbraw/zinc/44/46/31/662444631.db2.gz BHJFDYMFEKXOGZ-BBBLOLIVSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023280913 662444632 /nfs/dbraw/zinc/44/46/32/662444632.db2.gz BHJFDYMFEKXOGZ-BBBLOLIVSA-N 1 1 324.341 -2.563 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972542068 662444703 /nfs/dbraw/zinc/44/47/03/662444703.db2.gz UXHGYHQKJLOUFQ-WPRPVWTQSA-N 1 1 310.354 -1.554 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001023280844 662444822 /nfs/dbraw/zinc/44/48/22/662444822.db2.gz AAVSIOIEMVVSIO-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001023280844 662444824 /nfs/dbraw/zinc/44/48/24/662444824.db2.gz AAVSIOIEMVVSIO-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023281315 662444849 /nfs/dbraw/zinc/44/48/49/662444849.db2.gz ILZCCNUBUCMEOZ-GMTAPVOTSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023281315 662444851 /nfs/dbraw/zinc/44/48/51/662444851.db2.gz ILZCCNUBUCMEOZ-GMTAPVOTSA-N 1 1 323.353 -1.958 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023279221 662444873 /nfs/dbraw/zinc/44/48/73/662444873.db2.gz OGBJWPXHMHAMGD-UPJWGTAASA-N 1 1 311.382 -1.029 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023279221 662444875 /nfs/dbraw/zinc/44/48/75/662444875.db2.gz OGBJWPXHMHAMGD-UPJWGTAASA-N 1 1 311.382 -1.029 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972542142 662445263 /nfs/dbraw/zinc/44/52/63/662445263.db2.gz VZYHMLBHQLUHSX-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023282554 662445657 /nfs/dbraw/zinc/44/56/57/662445657.db2.gz FFRUOKUSGNDKJW-FOGDFJRCSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023282554 662445658 /nfs/dbraw/zinc/44/56/58/662445658.db2.gz FFRUOKUSGNDKJW-FOGDFJRCSA-N 1 1 324.337 -1.693 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CCNC1=O ZINC000972548438 662445987 /nfs/dbraw/zinc/44/59/87/662445987.db2.gz JCDIFOWNZVEKAU-GJZGRUSLSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CCNC1=O ZINC000972548438 662445988 /nfs/dbraw/zinc/44/59/88/662445988.db2.gz JCDIFOWNZVEKAU-GJZGRUSLSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CCNC1=O ZINC000972548440 662446032 /nfs/dbraw/zinc/44/60/32/662446032.db2.gz JCDIFOWNZVEKAU-LSDHHAIUSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CCNC1=O ZINC000972548440 662446033 /nfs/dbraw/zinc/44/60/33/662446033.db2.gz JCDIFOWNZVEKAU-LSDHHAIUSA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949743069 662446054 /nfs/dbraw/zinc/44/60/54/662446054.db2.gz GQFRIMHSFDVYQK-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949743069 662446056 /nfs/dbraw/zinc/44/60/56/662446056.db2.gz GQFRIMHSFDVYQK-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972554645 662446405 /nfs/dbraw/zinc/44/64/05/662446405.db2.gz RXOLEYFHQNLZTM-TYNCELHUSA-N 1 1 311.382 -1.207 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972554645 662446406 /nfs/dbraw/zinc/44/64/06/662446406.db2.gz RXOLEYFHQNLZTM-TYNCELHUSA-N 1 1 311.382 -1.207 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001023423960 662448010 /nfs/dbraw/zinc/44/80/10/662448010.db2.gz KQWFOBFXILYSGM-SNVBAGLBSA-N 1 1 307.354 -1.293 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001023424109 662448032 /nfs/dbraw/zinc/44/80/32/662448032.db2.gz ODYGQYLQPQYBBN-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972572830 662449382 /nfs/dbraw/zinc/44/93/82/662449382.db2.gz AJNWNIROICWEPL-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC000972578914 662449883 /nfs/dbraw/zinc/44/98/83/662449883.db2.gz LHMLSTXLOPPLPC-VIFPVBQESA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC000972578914 662449887 /nfs/dbraw/zinc/44/98/87/662449887.db2.gz LHMLSTXLOPPLPC-VIFPVBQESA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)C1 ZINC001023493981 662450087 /nfs/dbraw/zinc/45/00/87/662450087.db2.gz VBBRLPSFQLBSGL-MGPQQGTHSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2nc[nH]n2)C1)[C@H]1CCC(=O)NC1=O ZINC000972579679 662450748 /nfs/dbraw/zinc/45/07/48/662450748.db2.gz QZKQJZHXUJRPCI-BDAKNGLRSA-N 1 1 306.326 -1.244 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001023528493 662450981 /nfs/dbraw/zinc/45/09/81/662450981.db2.gz MHUAXZNTOBCMHC-VIFPVBQESA-N 1 1 323.353 -1.587 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001023529127 662451021 /nfs/dbraw/zinc/45/10/21/662451021.db2.gz XKBOSAYSXZZLMF-JTQLQIEISA-N 1 1 310.354 -1.080 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001023540215 662451167 /nfs/dbraw/zinc/45/11/67/662451167.db2.gz DSERZHQXFYNKPW-UWVGGRQHSA-N 1 1 307.358 -1.460 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540583 662451198 /nfs/dbraw/zinc/45/11/98/662451198.db2.gz HIMQMTQGKLMBBF-ZJUUUORDSA-N 1 1 309.374 -1.084 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001023531613 662451206 /nfs/dbraw/zinc/45/12/06/662451206.db2.gz ZLHFRNCLIUFGNP-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001023541822 662451510 /nfs/dbraw/zinc/45/15/10/662451510.db2.gz RXDTUERZCBQFKD-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001023543570 662451626 /nfs/dbraw/zinc/45/16/26/662451626.db2.gz MHGCESVNEBSDON-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001023543570 662451627 /nfs/dbraw/zinc/45/16/27/662451627.db2.gz MHGCESVNEBSDON-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001023543262 662451703 /nfs/dbraw/zinc/45/17/03/662451703.db2.gz IZPRSCUKUKFRSV-NSHDSACASA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001023543261 662451786 /nfs/dbraw/zinc/45/17/86/662451786.db2.gz IZPRSCUKUKFRSV-LLVKDONJSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001023564425 662452957 /nfs/dbraw/zinc/45/29/57/662452957.db2.gz NDUUXKHJNROMPP-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001023564427 662452978 /nfs/dbraw/zinc/45/29/78/662452978.db2.gz NDUUXKHJNROMPP-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001023567052 662452998 /nfs/dbraw/zinc/45/29/98/662452998.db2.gz SRJVLROOGLGVBK-CMPLNLGQSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001023566260 662453022 /nfs/dbraw/zinc/45/30/22/662453022.db2.gz LYRHLFITSKLCTN-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001023566260 662453023 /nfs/dbraw/zinc/45/30/23/662453023.db2.gz LYRHLFITSKLCTN-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972597247 662453316 /nfs/dbraw/zinc/45/33/16/662453316.db2.gz UMWWBXZLJCBGNW-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972597247 662453318 /nfs/dbraw/zinc/45/33/18/662453318.db2.gz UMWWBXZLJCBGNW-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)nn1 ZINC001023586355 662453648 /nfs/dbraw/zinc/45/36/48/662453648.db2.gz BATWKGROLSLGQQ-ADEWGFFLSA-N 1 1 322.369 -1.789 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588495 662453666 /nfs/dbraw/zinc/45/36/66/662453666.db2.gz BQSBARFFTORXRJ-OUAUKWLOSA-N 1 1 312.370 -1.667 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588495 662453667 /nfs/dbraw/zinc/45/36/67/662453667.db2.gz BQSBARFFTORXRJ-OUAUKWLOSA-N 1 1 312.370 -1.667 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCCNC1=O ZINC000972603314 662454836 /nfs/dbraw/zinc/45/48/36/662454836.db2.gz AKDGVEJQHKLWKC-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972600536 662454989 /nfs/dbraw/zinc/45/49/89/662454989.db2.gz AAHTYBOZKOKYTN-SECBINFHSA-N 1 1 323.353 -1.243 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972600536 662454990 /nfs/dbraw/zinc/45/49/90/662454990.db2.gz AAHTYBOZKOKYTN-SECBINFHSA-N 1 1 323.353 -1.243 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC000972603316 662455004 /nfs/dbraw/zinc/45/50/04/662455004.db2.gz AKDGVEJQHKLWKC-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000935214268 662455236 /nfs/dbraw/zinc/45/52/36/662455236.db2.gz QFAXWWJNUHALCE-AXFHLTTASA-N 1 1 309.374 -1.271 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972609912 662455324 /nfs/dbraw/zinc/45/53/24/662455324.db2.gz FTJVXLSJTSOCLD-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972609910 662455340 /nfs/dbraw/zinc/45/53/40/662455340.db2.gz FTJVXLSJTSOCLD-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cnnn3)C2)C1=O ZINC000972610748 662455413 /nfs/dbraw/zinc/45/54/13/662455413.db2.gz VBJJVKRJIMVFQX-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622488 662455792 /nfs/dbraw/zinc/45/57/92/662455792.db2.gz AGFFRWRFGVDVPB-BDAKNGLRSA-N 1 1 311.342 -2.102 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622488 662455793 /nfs/dbraw/zinc/45/57/93/662455793.db2.gz AGFFRWRFGVDVPB-BDAKNGLRSA-N 1 1 311.342 -2.102 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622489 662455990 /nfs/dbraw/zinc/45/59/90/662455990.db2.gz AGFFRWRFGVDVPB-IUCAKERBSA-N 1 1 311.342 -2.102 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001023622489 662455992 /nfs/dbraw/zinc/45/59/92/662455992.db2.gz AGFFRWRFGVDVPB-IUCAKERBSA-N 1 1 311.342 -2.102 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000935214273 662456010 /nfs/dbraw/zinc/45/60/10/662456010.db2.gz QFAXWWJNUHALCE-MXWKQRLJSA-N 1 1 309.374 -1.271 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023646333 662456630 /nfs/dbraw/zinc/45/66/30/662456630.db2.gz AHFIQFLSTMVRGO-JTQLQIEISA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001023641231 662456896 /nfs/dbraw/zinc/45/68/96/662456896.db2.gz WDTDRHWQUBMBNO-RWWNRMGGSA-N 1 1 324.381 -1.205 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001023645036 662456953 /nfs/dbraw/zinc/45/69/53/662456953.db2.gz VWKACXCHMFICJI-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023644575 662457059 /nfs/dbraw/zinc/45/70/59/662457059.db2.gz NOWKCSWMLSADBC-VHSXEESVSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972644259 662458093 /nfs/dbraw/zinc/45/80/93/662458093.db2.gz WINZWOQFCIFFMY-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972644259 662458095 /nfs/dbraw/zinc/45/80/95/662458095.db2.gz WINZWOQFCIFFMY-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972672201 662458302 /nfs/dbraw/zinc/45/83/02/662458302.db2.gz YRNUVHVPGKLCIV-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001023761576 662458442 /nfs/dbraw/zinc/45/84/42/662458442.db2.gz DBERNJLCIQZONS-VIFPVBQESA-N 1 1 323.357 -2.310 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001023761576 662458443 /nfs/dbraw/zinc/45/84/43/662458443.db2.gz DBERNJLCIQZONS-VIFPVBQESA-N 1 1 323.357 -2.310 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023753571 662458541 /nfs/dbraw/zinc/45/85/41/662458541.db2.gz IZOCJBUYAGJXMV-VXGBXAGGSA-N 1 1 319.427 -1.111 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c[nH]1 ZINC001023782270 662459102 /nfs/dbraw/zinc/45/91/02/662459102.db2.gz JRTDMKYZBSRYHH-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023782270 662459103 /nfs/dbraw/zinc/45/91/03/662459103.db2.gz JRTDMKYZBSRYHH-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001023782270 662459104 /nfs/dbraw/zinc/45/91/04/662459104.db2.gz JRTDMKYZBSRYHH-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000972680419 662459107 /nfs/dbraw/zinc/45/91/07/662459107.db2.gz KYLZJLUTCUROCP-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023782383 662459123 /nfs/dbraw/zinc/45/91/23/662459123.db2.gz MIZGIYLJDNSUEP-GMTAPVOTSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)C1 ZINC001023782374 662459138 /nfs/dbraw/zinc/45/91/38/662459138.db2.gz MACUILRQPMTLFC-GMTAPVOTSA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2O)C1 ZINC001023782297 662459141 /nfs/dbraw/zinc/45/91/41/662459141.db2.gz KBXMXGMKGBDKQE-QJPTWQEYSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2O)C1 ZINC001023782713 662459416 /nfs/dbraw/zinc/45/94/16/662459416.db2.gz YALFYXQVKHLKKV-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023787780 662459542 /nfs/dbraw/zinc/45/95/42/662459542.db2.gz PVGOVRYESIBVID-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023787735 662459638 /nfs/dbraw/zinc/45/96/38/662459638.db2.gz ORJGVOSTTAKODA-HBNTYKKESA-N 1 1 323.353 -1.369 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2O)C1 ZINC001023783320 662459732 /nfs/dbraw/zinc/45/97/32/662459732.db2.gz GTKFLKZIAYRUIL-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023787376 662459825 /nfs/dbraw/zinc/45/98/25/662459825.db2.gz KIWWBOLICLAEIQ-HBNTYKKESA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023782745 662459867 /nfs/dbraw/zinc/45/98/67/662459867.db2.gz YXUCWNLTPCESSP-HOSYDEDBSA-N 1 1 322.369 -1.932 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972681096 662460127 /nfs/dbraw/zinc/46/01/27/662460127.db2.gz RTQQOJNONPWTGV-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023784420 662460175 /nfs/dbraw/zinc/46/01/75/662460175.db2.gz VXCGLOTZYMGNMT-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023787778 662460205 /nfs/dbraw/zinc/46/02/05/662460205.db2.gz PVGOVRYESIBVID-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2O)C1 ZINC001023789063 662460554 /nfs/dbraw/zinc/46/05/54/662460554.db2.gz PGSFIUVWKWFODQ-WNWFYDSVSA-N 1 1 323.393 -1.482 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)nn1 ZINC000947301110 662460588 /nfs/dbraw/zinc/46/05/88/662460588.db2.gz NZERFQUUNFHZSL-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)nn1 ZINC000947301110 662460590 /nfs/dbraw/zinc/46/05/90/662460590.db2.gz NZERFQUUNFHZSL-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2O)C1 ZINC001023789327 662460741 /nfs/dbraw/zinc/46/07/41/662460741.db2.gz WMJATKDAWNHPOG-JHJVBQTASA-N 1 1 322.365 -1.143 20 0 DAADMO Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023789205 662460921 /nfs/dbraw/zinc/46/09/21/662460921.db2.gz TWYDJSQHMSALOI-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972692130 662460942 /nfs/dbraw/zinc/46/09/42/662460942.db2.gz AGUIMUDSKGGBAM-NSHDSACASA-N 1 1 321.385 -1.095 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000972692130 662460944 /nfs/dbraw/zinc/46/09/44/662460944.db2.gz AGUIMUDSKGGBAM-NSHDSACASA-N 1 1 321.385 -1.095 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023799951 662461294 /nfs/dbraw/zinc/46/12/94/662461294.db2.gz MMRGEDYGWUHVAA-MVWJERBFSA-N 1 1 310.354 -1.086 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001023801291 662461581 /nfs/dbraw/zinc/46/15/81/662461581.db2.gz PNMMOLBLWBEWQD-GHMZBOCLSA-N 1 1 320.309 -1.424 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023803139 662461632 /nfs/dbraw/zinc/46/16/32/662461632.db2.gz IZKKNBMMYHCXRR-GHMZBOCLSA-N 1 1 319.325 -1.689 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001023851826 662462593 /nfs/dbraw/zinc/46/25/93/662462593.db2.gz YHJFEDBOXRQTBW-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000972704745 662465189 /nfs/dbraw/zinc/46/51/89/662465189.db2.gz UTDUSMCJCXPJJO-GHMZBOCLSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000972704745 662465196 /nfs/dbraw/zinc/46/51/96/662465196.db2.gz UTDUSMCJCXPJJO-GHMZBOCLSA-N 1 1 311.386 -1.062 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001023965737 662465794 /nfs/dbraw/zinc/46/57/94/662465794.db2.gz OJFKARHFFWLLKI-VHSXEESVSA-N 1 1 323.357 -1.353 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C2)n1 ZINC000972777948 662466128 /nfs/dbraw/zinc/46/61/28/662466128.db2.gz YHDXANAUFQUSCQ-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794218 662467405 /nfs/dbraw/zinc/46/74/05/662467405.db2.gz NFKTVLWPRJTVRL-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794218 662467408 /nfs/dbraw/zinc/46/74/08/662467408.db2.gz NFKTVLWPRJTVRL-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799501 662467528 /nfs/dbraw/zinc/46/75/28/662467528.db2.gz DOQGLZXOMGIWLO-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799501 662467534 /nfs/dbraw/zinc/46/75/34/662467534.db2.gz DOQGLZXOMGIWLO-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001024128997 662469890 /nfs/dbraw/zinc/46/98/90/662469890.db2.gz HXZCIWCBINNRMW-UWVGGRQHSA-N 1 1 322.373 -1.780 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001024155166 662470075 /nfs/dbraw/zinc/47/00/75/662470075.db2.gz LOHDEUGTIPUZPA-KXUCPTDWSA-N 1 1 321.337 -2.066 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001024157955 662470431 /nfs/dbraw/zinc/47/04/31/662470431.db2.gz HVLUMYKDHXRDQP-MXWKQRLJSA-N 1 1 321.385 -1.340 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001024259235 662471037 /nfs/dbraw/zinc/47/10/37/662471037.db2.gz YFCRWUAFFPRMMX-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001024231134 662471066 /nfs/dbraw/zinc/47/10/66/662471066.db2.gz XHJIPXGGKQCGLI-JTQLQIEISA-N 1 1 319.373 -1.101 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024425267 662473602 /nfs/dbraw/zinc/47/36/02/662473602.db2.gz QVKAHJYJYZUPFS-OUAUKWLOSA-N 1 1 323.353 -1.226 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024497422 662474967 /nfs/dbraw/zinc/47/49/67/662474967.db2.gz NFZBRQQAYUVRLI-OUAUKWLOSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024497422 662474968 /nfs/dbraw/zinc/47/49/68/662474968.db2.gz NFZBRQQAYUVRLI-OUAUKWLOSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024503939 662475135 /nfs/dbraw/zinc/47/51/35/662475135.db2.gz LZEXEAYJVNFCAX-GRYCIOLGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024549572 662477207 /nfs/dbraw/zinc/47/72/07/662477207.db2.gz HUJQNBUGZSPLMO-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024549572 662477212 /nfs/dbraw/zinc/47/72/12/662477212.db2.gz HUJQNBUGZSPLMO-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024549572 662477216 /nfs/dbraw/zinc/47/72/16/662477216.db2.gz HUJQNBUGZSPLMO-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550077 662478031 /nfs/dbraw/zinc/47/80/31/662478031.db2.gz WSWXGOUFWMHSGP-YUSALJHKSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024550077 662478032 /nfs/dbraw/zinc/47/80/32/662478032.db2.gz WSWXGOUFWMHSGP-YUSALJHKSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024550077 662478033 /nfs/dbraw/zinc/47/80/33/662478033.db2.gz WSWXGOUFWMHSGP-YUSALJHKSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CCCO ZINC000947619355 662479043 /nfs/dbraw/zinc/47/90/43/662479043.db2.gz HLEOQUHVWXYBQD-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(NC[C@H]1CCCC[N@H+]1CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001024628947 662480107 /nfs/dbraw/zinc/48/01/07/662480107.db2.gz WMKXGMNYFVOOKJ-VXGBXAGGSA-N 1 1 321.385 -1.070 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024629169 662480478 /nfs/dbraw/zinc/48/04/78/662480478.db2.gz YRISWMOTTQPDQP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024629169 662480480 /nfs/dbraw/zinc/48/04/80/662480480.db2.gz YRISWMOTTQPDQP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024629168 662480688 /nfs/dbraw/zinc/48/06/88/662480688.db2.gz YRISWMOTTQPDQP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024629168 662480689 /nfs/dbraw/zinc/48/06/89/662480689.db2.gz YRISWMOTTQPDQP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001024699835 662481446 /nfs/dbraw/zinc/48/14/46/662481446.db2.gz SSJZRZXMIZMLNP-GHMZBOCLSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1O ZINC001024698978 662481868 /nfs/dbraw/zinc/48/18/68/662481868.db2.gz GOUUNYIOSROXTL-YNEHKIRRSA-N 1 1 322.365 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950431 662482210 /nfs/dbraw/zinc/48/22/10/662482210.db2.gz QVIYHNKTDVXRGK-GMTAPVOTSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950431 662482213 /nfs/dbraw/zinc/48/22/13/662482213.db2.gz QVIYHNKTDVXRGK-GMTAPVOTSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950430 662482441 /nfs/dbraw/zinc/48/24/41/662482441.db2.gz QVIYHNKTDVXRGK-DCAQKATOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950430 662482443 /nfs/dbraw/zinc/48/24/43/662482443.db2.gz QVIYHNKTDVXRGK-DCAQKATOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947307335 662483083 /nfs/dbraw/zinc/48/30/83/662483083.db2.gz ZCOKPQAVWUDANE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951354 662483463 /nfs/dbraw/zinc/48/34/63/662483463.db2.gz VMYVILOAKUKGMZ-FIQHERPVSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001024774632 662483529 /nfs/dbraw/zinc/48/35/29/662483529.db2.gz OHFMLUTYNSBSLO-YUSALJHKSA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951355 662483725 /nfs/dbraw/zinc/48/37/25/662483725.db2.gz VMYVILOAKUKGMZ-KKOKHZNYSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951352 662483728 /nfs/dbraw/zinc/48/37/28/662483728.db2.gz VMYVILOAKUKGMZ-BJDJZHNGSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024813313 662484837 /nfs/dbraw/zinc/48/48/37/662484837.db2.gz YYIFRGOWCYKPJW-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)Cn2ncnn2)nn1 ZINC001024964059 662487728 /nfs/dbraw/zinc/48/77/28/662487728.db2.gz BGXXTGVYYVAAMM-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001024949860 662488056 /nfs/dbraw/zinc/48/80/56/662488056.db2.gz UXHAWZLMBYTKRL-ZJUUUORDSA-N 1 1 323.357 -1.211 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001024964424 662488543 /nfs/dbraw/zinc/48/85/43/662488543.db2.gz IATKZNQSJVWWMV-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1O ZINC001025009657 662490656 /nfs/dbraw/zinc/49/06/56/662490656.db2.gz CYWUTMKGLMINSX-LPWJVIDDSA-N 1 1 311.382 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001025039703 662492299 /nfs/dbraw/zinc/49/22/99/662492299.db2.gz VHRKBMLRVZJJQC-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936147773 662493418 /nfs/dbraw/zinc/49/34/18/662493418.db2.gz XLSKEYSRUODMKZ-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936147773 662493423 /nfs/dbraw/zinc/49/34/23/662493423.db2.gz XLSKEYSRUODMKZ-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001025061406 662493646 /nfs/dbraw/zinc/49/36/46/662493646.db2.gz YEBAMKIOPFXEOW-NEPJUHHUSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001011552029 662493777 /nfs/dbraw/zinc/49/37/77/662493777.db2.gz DUGKZOJOGSGGGD-UHFFFAOYSA-N 1 1 322.369 -1.189 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001025105467 662495818 /nfs/dbraw/zinc/49/58/18/662495818.db2.gz HMMQBOCAPONVDQ-OUAUKWLOSA-N 1 1 322.369 -1.410 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001025108554 662498203 /nfs/dbraw/zinc/49/82/03/662498203.db2.gz NUMPNJCGTDFGIC-KXUCPTDWSA-N 1 1 310.358 -1.554 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001025108554 662498209 /nfs/dbraw/zinc/49/82/09/662498209.db2.gz NUMPNJCGTDFGIC-KXUCPTDWSA-N 1 1 310.358 -1.554 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)CCC1 ZINC001025109962 662499052 /nfs/dbraw/zinc/49/90/52/662499052.db2.gz WXKUDNRBHYDPSN-NXEZZACHSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CCC1 ZINC001025109962 662499053 /nfs/dbraw/zinc/49/90/53/662499053.db2.gz WXKUDNRBHYDPSN-NXEZZACHSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947310062 662500238 /nfs/dbraw/zinc/50/02/38/662500238.db2.gz KYYQCEVBYJHSIF-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001025146891 662501488 /nfs/dbraw/zinc/50/14/88/662501488.db2.gz OAQYGBMBPRTUCF-WNWFYDSVSA-N 1 1 323.393 -1.482 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973098530 662501804 /nfs/dbraw/zinc/50/18/04/662501804.db2.gz BQAOSDBTVBIVBE-KKOKHZNYSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973098530 662501806 /nfs/dbraw/zinc/50/18/06/662501806.db2.gz BQAOSDBTVBIVBE-KKOKHZNYSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1 ZINC001025180169 662503001 /nfs/dbraw/zinc/50/30/01/662503001.db2.gz CQYRZNCCHCPVNX-YNEHKIRRSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973127474 662503363 /nfs/dbraw/zinc/50/33/63/662503363.db2.gz FMEHTQUMWSPRFF-DCAQKATOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973127474 662503368 /nfs/dbraw/zinc/50/33/68/662503368.db2.gz FMEHTQUMWSPRFF-DCAQKATOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973123244 662503386 /nfs/dbraw/zinc/50/33/86/662503386.db2.gz BVWWWUPJXVBLAT-PZWNZHSQSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973123244 662503387 /nfs/dbraw/zinc/50/33/87/662503387.db2.gz BVWWWUPJXVBLAT-PZWNZHSQSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973128571 662503446 /nfs/dbraw/zinc/50/34/46/662503446.db2.gz PDIPIIMNTYRJBI-HUXGKSLCSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973128571 662503448 /nfs/dbraw/zinc/50/34/48/662503448.db2.gz PDIPIIMNTYRJBI-HUXGKSLCSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973126563 662503455 /nfs/dbraw/zinc/50/34/55/662503455.db2.gz OWNRFLOCTBSAHC-DDHJBXDOSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973126563 662503456 /nfs/dbraw/zinc/50/34/56/662503456.db2.gz OWNRFLOCTBSAHC-DDHJBXDOSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001025220699 662503881 /nfs/dbraw/zinc/50/38/81/662503881.db2.gz AWJWDQKAGWDEMH-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000973233044 662507680 /nfs/dbraw/zinc/50/76/80/662507680.db2.gz ZLEDBRABUIABKK-GWOFURMSSA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001025264868 662507798 /nfs/dbraw/zinc/50/77/98/662507798.db2.gz JUKYAZBIJVIBOS-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)C1 ZINC001025261558 662507822 /nfs/dbraw/zinc/50/78/22/662507822.db2.gz MSOWMOKMYKLHKM-QJPTWQEYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC001025304454 662508995 /nfs/dbraw/zinc/50/89/95/662508995.db2.gz VMIUFIUYEWDFHS-QJPTWQEYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973295792 662509858 /nfs/dbraw/zinc/50/98/58/662509858.db2.gz PSEJQCCAGIAIDR-KKOKHZNYSA-N 1 1 308.382 -1.162 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000973295660 662509986 /nfs/dbraw/zinc/50/99/86/662509986.db2.gz NFPKLROXSFUNAF-KKOKHZNYSA-N 1 1 323.397 -1.275 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973289173 662510045 /nfs/dbraw/zinc/51/00/45/662510045.db2.gz HIFAUPCVFAKPSI-BJDJZHNGSA-N 1 1 308.382 -1.020 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973294793 662510106 /nfs/dbraw/zinc/51/01/06/662510106.db2.gz YRXNILQHOJHVDK-MGCOHNPYSA-N 1 1 318.341 -1.208 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973292515 662510475 /nfs/dbraw/zinc/51/04/75/662510475.db2.gz IMQBNFPMTMANJH-SRVKXCTJSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000973331355 662511318 /nfs/dbraw/zinc/51/13/18/662511318.db2.gz RKYLQFMJDQSWPX-OOCWMUITSA-N 1 1 323.397 -1.229 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000973354744 662511726 /nfs/dbraw/zinc/51/17/26/662511726.db2.gz DWDDFEWLWQXCPU-DBIOUOCHSA-N 1 1 310.354 -1.902 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000935928766 662512134 /nfs/dbraw/zinc/51/21/34/662512134.db2.gz LRTLAPSKHOQAHS-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973457680 662515710 /nfs/dbraw/zinc/51/57/10/662515710.db2.gz PTHMKUHBOZUWSX-GMTAPVOTSA-N 1 1 320.353 -1.364 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1O ZINC001025383859 662517025 /nfs/dbraw/zinc/51/70/25/662517025.db2.gz UZOCGCSIQALGEF-KXUCPTDWSA-N 1 1 321.337 -2.066 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025386590 662517673 /nfs/dbraw/zinc/51/76/73/662517673.db2.gz IECKROXWZKFUFH-NXEZZACHSA-N 1 1 323.353 -1.820 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001018904711 662518950 /nfs/dbraw/zinc/51/89/50/662518950.db2.gz BBSTXRXDRVOIOE-JTQLQIEISA-N 1 1 313.383 -1.450 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973510406 662519346 /nfs/dbraw/zinc/51/93/46/662519346.db2.gz WVNMNWHMQXJABK-GWOFURMSSA-N 1 1 321.385 -1.215 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973531732 662519928 /nfs/dbraw/zinc/51/99/28/662519928.db2.gz KREJCHNALZFWPI-FIQHERPVSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973532150 662520116 /nfs/dbraw/zinc/52/01/16/662520116.db2.gz YUGPAWHELFDJQM-DDHJBXDOSA-N 1 1 323.397 -1.227 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408025758 662521076 /nfs/dbraw/zinc/52/10/76/662521076.db2.gz BEPVZJGTWLXEGR-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408030635 662522012 /nfs/dbraw/zinc/52/20/12/662522012.db2.gz GXPVGEJSHBSBFU-RYUDHWBXSA-N 1 1 316.427 -1.344 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC001007709545 662524585 /nfs/dbraw/zinc/52/45/85/662524585.db2.gz CWLNVAMMWNHFPK-ABAIWWIYSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001025684155 662525693 /nfs/dbraw/zinc/52/56/93/662525693.db2.gz XUDPZXWKHGKPHQ-HBNTYKKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001025684155 662525694 /nfs/dbraw/zinc/52/56/94/662525694.db2.gz XUDPZXWKHGKPHQ-HBNTYKKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001025685627 662525831 /nfs/dbraw/zinc/52/58/31/662525831.db2.gz PKAKSEVZGJRDIF-MVWJERBFSA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001025688132 662526212 /nfs/dbraw/zinc/52/62/12/662526212.db2.gz ZZXFGXWCWDGETJ-LBELIVKGSA-N 1 1 311.382 -1.075 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCO2)C1=O ZINC001025687975 662526299 /nfs/dbraw/zinc/52/62/99/662526299.db2.gz UGCIQRAOOCUIQH-FPYNETTCSA-N 1 1 309.366 -1.321 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708517 662527460 /nfs/dbraw/zinc/52/74/60/662527460.db2.gz UHTJGBJGGGSQPA-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708517 662527463 /nfs/dbraw/zinc/52/74/63/662527463.db2.gz UHTJGBJGGGSQPA-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001025708832 662527731 /nfs/dbraw/zinc/52/77/31/662527731.db2.gz CZRZDFFCQZSFCN-ZTVLKNOQSA-N 1 1 308.382 -1.212 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719416 662527744 /nfs/dbraw/zinc/52/77/44/662527744.db2.gz UZLFHOUAYTZGGD-LBELIVKGSA-N 1 1 310.398 -1.502 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719415 662527969 /nfs/dbraw/zinc/52/79/69/662527969.db2.gz UZLFHOUAYTZGGD-KIJLLGNVSA-N 1 1 310.398 -1.502 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)n1cncn1 ZINC001025745693 662529460 /nfs/dbraw/zinc/52/94/60/662529460.db2.gz HSIGOMVCYZIWEJ-PREPNJAASA-N 1 1 304.354 -1.226 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025747114 662530047 /nfs/dbraw/zinc/53/00/47/662530047.db2.gz HATDNWPUPRRWCD-MEBFFEOJSA-N 1 1 322.409 -1.358 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025739313 662530319 /nfs/dbraw/zinc/53/03/19/662530319.db2.gz VQSTZUBDWQNXJS-GMTAPVOTSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001025739313 662530322 /nfs/dbraw/zinc/53/03/22/662530322.db2.gz VQSTZUBDWQNXJS-GMTAPVOTSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001025739313 662530326 /nfs/dbraw/zinc/53/03/26/662530326.db2.gz VQSTZUBDWQNXJS-GMTAPVOTSA-N 1 1 322.369 -1.871 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025747422 662530530 /nfs/dbraw/zinc/53/05/30/662530530.db2.gz LCHDBQCNAUZMFI-KIJLLGNVSA-N 1 1 310.398 -1.502 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025763965 662531033 /nfs/dbraw/zinc/53/10/33/662531033.db2.gz JULCWSOTBYIUMC-KZZRWZIVSA-N 1 1 322.365 -1.238 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025763999 662531189 /nfs/dbraw/zinc/53/11/89/662531189.db2.gz KXJKPUZXVSDOPK-QGKZMRNZSA-N 1 1 308.338 -1.628 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001025783326 662531915 /nfs/dbraw/zinc/53/19/15/662531915.db2.gz URRMDCFRCQUIGJ-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025804385 662532651 /nfs/dbraw/zinc/53/26/51/662532651.db2.gz BYDDXPGMWYJGPK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001025804385 662532653 /nfs/dbraw/zinc/53/26/53/662532653.db2.gz BYDDXPGMWYJGPK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001025804385 662532656 /nfs/dbraw/zinc/53/26/56/662532656.db2.gz BYDDXPGMWYJGPK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815288 662533327 /nfs/dbraw/zinc/53/33/27/662533327.db2.gz YJWBJCWOBOSDGF-IEECTRCBSA-N 1 1 320.393 -1.162 20 0 DAADMO CO[C@H]1COCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001025811844 662533377 /nfs/dbraw/zinc/53/33/77/662533377.db2.gz VWLPFEJWKRVMLY-QKZHPOIUSA-N 1 1 311.382 -1.040 20 0 DAADMO CO[C@H]1COCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001025811844 662533378 /nfs/dbraw/zinc/53/33/78/662533378.db2.gz VWLPFEJWKRVMLY-QKZHPOIUSA-N 1 1 311.382 -1.040 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001025815366 662533380 /nfs/dbraw/zinc/53/33/80/662533380.db2.gz FEXOPANHDHVCRM-ZIQFBCGOSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808845 662533391 /nfs/dbraw/zinc/53/33/91/662533391.db2.gz POCUFNNNSIEUJZ-XPORZQOISA-N 1 1 306.366 -1.600 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025812159 662533394 /nfs/dbraw/zinc/53/33/94/662533394.db2.gz PBCPYKTVWNZPQQ-JLDUMIBSSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001025812546 662533526 /nfs/dbraw/zinc/53/35/26/662533526.db2.gz VXYLTPNHAFQTFH-VLLVSFFDSA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815290 662533808 /nfs/dbraw/zinc/53/38/08/662533808.db2.gz YJWBJCWOBOSDGF-LBELIVKGSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC001025811941 662533890 /nfs/dbraw/zinc/53/38/90/662533890.db2.gz UCUIYGNEWVSEGN-ZRDGONRFSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC001025811941 662533892 /nfs/dbraw/zinc/53/38/92/662533892.db2.gz UCUIYGNEWVSEGN-ZRDGONRFSA-N 1 1 308.382 -1.177 20 0 DAADMO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000314238991 662533901 /nfs/dbraw/zinc/53/39/01/662533901.db2.gz XCKWPLHGONRSRW-AGIUHOORSA-N 1 1 319.427 -1.243 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001025821260 662534170 /nfs/dbraw/zinc/53/41/70/662534170.db2.gz GEOFQIVROSHIHW-VLLVSFFDSA-N 1 1 321.381 -1.027 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001025842637 662534306 /nfs/dbraw/zinc/53/43/06/662534306.db2.gz UOJAYFKFRQSGDL-DGTMBMJNSA-N 1 1 324.425 -1.112 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025820653 662534328 /nfs/dbraw/zinc/53/43/28/662534328.db2.gz BBEGWILOGISYKY-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001025818987 662534444 /nfs/dbraw/zinc/53/44/44/662534444.db2.gz JGMUGISVRVAECM-FBSDCJDYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001025818987 662534448 /nfs/dbraw/zinc/53/44/48/662534448.db2.gz JGMUGISVRVAECM-FBSDCJDYSA-N 1 1 308.382 -1.177 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025813935 662534629 /nfs/dbraw/zinc/53/46/29/662534629.db2.gz FJZJODUBUGRNAK-GOVZDWNOSA-N 1 1 310.354 -1.334 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025820651 662534640 /nfs/dbraw/zinc/53/46/40/662534640.db2.gz BBEGWILOGISYKY-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001025842656 662534785 /nfs/dbraw/zinc/53/47/85/662534785.db2.gz UOJAYFKFRQSGDL-PDWCTOEPSA-N 1 1 324.425 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001025847921 662535190 /nfs/dbraw/zinc/53/51/90/662535190.db2.gz BIMFFBLTCLIELN-ZRDGONRFSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001025847921 662535194 /nfs/dbraw/zinc/53/51/94/662535194.db2.gz BIMFFBLTCLIELN-ZRDGONRFSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001025873967 662535272 /nfs/dbraw/zinc/53/52/72/662535272.db2.gz YEUCINZKVRICOX-KKJSVHSVSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001025873967 662535277 /nfs/dbraw/zinc/53/52/77/662535277.db2.gz YEUCINZKVRICOX-KKJSVHSVSA-N 1 1 323.397 -1.303 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001025849160 662535351 /nfs/dbraw/zinc/53/53/51/662535351.db2.gz PEMOTCQAILVORI-YFVNTRNASA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC001025879975 662535425 /nfs/dbraw/zinc/53/54/25/662535425.db2.gz FQVHPSIADUVNJE-ZRDGONRFSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC001025879975 662535430 /nfs/dbraw/zinc/53/54/30/662535430.db2.gz FQVHPSIADUVNJE-ZRDGONRFSA-N 1 1 308.382 -1.035 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001020083290 662537723 /nfs/dbraw/zinc/53/77/23/662537723.db2.gz HMYIJNPIMRKAHP-HAQNSBGRSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001020232297 662537958 /nfs/dbraw/zinc/53/79/58/662537958.db2.gz PWOIUIQHNKGGSZ-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001020336307 662538394 /nfs/dbraw/zinc/53/83/94/662538394.db2.gz XKEJGKZQVYIFGK-NAKRPEOUSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001020336308 662538772 /nfs/dbraw/zinc/53/87/72/662538772.db2.gz XKEJGKZQVYIFGK-VLEAKVRGSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC001025928089 662539199 /nfs/dbraw/zinc/53/91/99/662539199.db2.gz ZYARXRRBUOZNLD-YFVNTRNASA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC001025928089 662539201 /nfs/dbraw/zinc/53/92/01/662539201.db2.gz ZYARXRRBUOZNLD-YFVNTRNASA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC(=O)CC1 ZINC001025927836 662539306 /nfs/dbraw/zinc/53/93/06/662539306.db2.gz JGIBXFUCJYNLQG-DIACKHNESA-N 1 1 320.393 -1.162 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001025921869 662539335 /nfs/dbraw/zinc/53/93/35/662539335.db2.gz IVKVORFEEMJYRB-FJSXFWSSSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922411 662539366 /nfs/dbraw/zinc/53/93/66/662539366.db2.gz RYRUXDZHCPKFOA-GCCGGCASSA-N 1 1 320.393 -1.162 20 0 DAADMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919523 662539375 /nfs/dbraw/zinc/53/93/75/662539375.db2.gz NOJJXRWANYARLX-ZRDGONRFSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919523 662539377 /nfs/dbraw/zinc/53/93/77/662539377.db2.gz NOJJXRWANYARLX-ZRDGONRFSA-N 1 1 308.382 -1.177 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025938517 662539629 /nfs/dbraw/zinc/53/96/29/662539629.db2.gz ZUILMXDVPQKHLT-JZRPKSSGSA-N 1 1 318.381 -1.127 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025938517 662539632 /nfs/dbraw/zinc/53/96/32/662539632.db2.gz ZUILMXDVPQKHLT-JZRPKSSGSA-N 1 1 318.381 -1.127 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937283 662539654 /nfs/dbraw/zinc/53/96/54/662539654.db2.gz JYRZVSAIYAIKEC-SSKLVLDBSA-N 1 1 320.393 -1.177 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937283 662539656 /nfs/dbraw/zinc/53/96/56/662539656.db2.gz JYRZVSAIYAIKEC-SSKLVLDBSA-N 1 1 320.393 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC001025935079 662539698 /nfs/dbraw/zinc/53/96/98/662539698.db2.gz CTYJAIKLVGCIMU-YBRCUDMCSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC001025935079 662539699 /nfs/dbraw/zinc/53/96/99/662539699.db2.gz CTYJAIKLVGCIMU-YBRCUDMCSA-N 1 1 308.382 -1.083 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025938518 662539878 /nfs/dbraw/zinc/53/98/78/662539878.db2.gz ZUILMXDVPQKHLT-KVSVUVNWSA-N 1 1 318.381 -1.127 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025938518 662539879 /nfs/dbraw/zinc/53/98/79/662539879.db2.gz ZUILMXDVPQKHLT-KVSVUVNWSA-N 1 1 318.381 -1.127 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025939248 662539902 /nfs/dbraw/zinc/53/99/02/662539902.db2.gz GXQHVLKLVULBLS-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001025941477 662540080 /nfs/dbraw/zinc/54/00/80/662540080.db2.gz QNFXREDKJDOSGF-KKJSVHSVSA-N 1 1 308.382 -1.354 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)NC1=O ZINC001025943950 662540104 /nfs/dbraw/zinc/54/01/04/662540104.db2.gz TWNIUJNREHQZHI-KZZRWZIVSA-N 1 1 321.381 -1.665 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958964 662540126 /nfs/dbraw/zinc/54/01/26/662540126.db2.gz UCVCBJNVZUTJST-PREPNJAASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958914 662540158 /nfs/dbraw/zinc/54/01/58/662540158.db2.gz NUAZGPOOTSFBRC-JZRPKSSGSA-N 1 1 322.409 -1.012 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001025952950 662540236 /nfs/dbraw/zinc/54/02/36/662540236.db2.gz QYSCQBPGYFPJFJ-OQEOFVATSA-N 1 1 308.382 -1.083 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943584 662540258 /nfs/dbraw/zinc/54/02/58/662540258.db2.gz JGHPQOVDDQVFDK-UVOCVTCTSA-N 1 1 309.370 -1.809 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943588 662540500 /nfs/dbraw/zinc/54/05/00/662540500.db2.gz JHILXBSMVFHQJP-XXFSISAASA-N 1 1 309.370 -1.680 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001025952951 662540542 /nfs/dbraw/zinc/54/05/42/662540542.db2.gz QYSCQBPGYFPJFJ-VGDATSSVSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001025993798 662540735 /nfs/dbraw/zinc/54/07/35/662540735.db2.gz AAADRKAZAVURMF-KXMNOHPDSA-N 1 1 321.381 -1.619 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025958977 662540741 /nfs/dbraw/zinc/54/07/41/662540741.db2.gz ULEYKFDRJABSKR-ZIQFBCGOSA-N 1 1 306.366 -1.600 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994167 662540749 /nfs/dbraw/zinc/54/07/49/662540749.db2.gz JGFXCPDRTZZJKR-LVEVGFFFSA-N 1 1 321.381 -1.665 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025993883 662540751 /nfs/dbraw/zinc/54/07/51/662540751.db2.gz FOZWAYYZZBTHJF-HPENLJRUSA-N 1 1 307.354 -2.007 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994639 662541081 /nfs/dbraw/zinc/54/10/81/662541081.db2.gz WNQJXVJCDKJAQK-LVEVGFFFSA-N 1 1 321.381 -1.665 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001026019685 662541175 /nfs/dbraw/zinc/54/11/75/662541175.db2.gz DIWVADJDWCJQIV-JEFOQBOOSA-N 1 1 308.382 -1.035 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001026036167 662541192 /nfs/dbraw/zinc/54/11/92/662541192.db2.gz FCSRPZAIWCMRBW-QSJCVTFJSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026049590 662541354 /nfs/dbraw/zinc/54/13/54/662541354.db2.gz WXNMSPICNYKOCC-XARVFOJUSA-N 1 1 320.393 -1.225 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001026036795 662541376 /nfs/dbraw/zinc/54/13/76/662541376.db2.gz FZIUJLREDYIIBY-NDXHXBTESA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001026050148 662541408 /nfs/dbraw/zinc/54/14/08/662541408.db2.gz YFLBLHHVJZGIBD-NGSGHZHUSA-N 1 1 320.393 -1.179 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCNC1=O ZINC001026036668 662541415 /nfs/dbraw/zinc/54/14/15/662541415.db2.gz BIXDLPYYJFVOFI-QSJCVTFJSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCNC1=O ZINC001026036670 662541487 /nfs/dbraw/zinc/54/14/87/662541487.db2.gz BIXDLPYYJFVOFI-UXSWQMMLSA-N 1 1 306.366 -1.553 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001026039132 662541528 /nfs/dbraw/zinc/54/15/28/662541528.db2.gz UQIHCTPKPOQYPJ-OWSRUXPGSA-N 1 1 322.365 -2.046 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026049534 662541543 /nfs/dbraw/zinc/54/15/43/662541543.db2.gz OXVHSUAVGJYWLV-RPBIHCLYSA-N 1 1 320.349 -2.041 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001026062397 662541774 /nfs/dbraw/zinc/54/17/74/662541774.db2.gz JLKRKMZLIOLAQO-WCCFOQQASA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001026062397 662541776 /nfs/dbraw/zinc/54/17/76/662541776.db2.gz JLKRKMZLIOLAQO-WCCFOQQASA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077560 662541816 /nfs/dbraw/zinc/54/18/16/662541816.db2.gz AWKXPDJXJZTEGQ-IIEKFROSSA-N 1 1 322.365 -1.333 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077619 662541822 /nfs/dbraw/zinc/54/18/22/662541822.db2.gz HOQLIYUSMREZRJ-ZCLKDUABSA-N 1 1 323.353 -2.235 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC001026078236 662541998 /nfs/dbraw/zinc/54/19/98/662541998.db2.gz YKWASYVWVNBLBY-KHWQERMQSA-N 1 1 321.337 -2.481 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001026102961 662542012 /nfs/dbraw/zinc/54/20/12/662542012.db2.gz SKTBJOIGUHNNGE-KYRSKXGRSA-N 1 1 321.337 -2.494 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001026102961 662542014 /nfs/dbraw/zinc/54/20/14/662542014.db2.gz SKTBJOIGUHNNGE-KYRSKXGRSA-N 1 1 321.337 -2.494 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001026084116 662542050 /nfs/dbraw/zinc/54/20/50/662542050.db2.gz SMDQDDBOVPVOPS-HKLXJQGRSA-N 1 1 308.382 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001026084116 662542052 /nfs/dbraw/zinc/54/20/52/662542052.db2.gz SMDQDDBOVPVOPS-HKLXJQGRSA-N 1 1 308.382 -1.190 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026141417 662542476 /nfs/dbraw/zinc/54/24/76/662542476.db2.gz PHMJSCZZKQSTHU-WSLQDRLSSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026141417 662542477 /nfs/dbraw/zinc/54/24/77/662542477.db2.gz PHMJSCZZKQSTHU-WSLQDRLSSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001026148849 662542626 /nfs/dbraw/zinc/54/26/26/662542626.db2.gz RMTDHRCWJUOBPX-VLLVSFFDSA-N 1 1 318.381 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001026148849 662542627 /nfs/dbraw/zinc/54/26/27/662542627.db2.gz RMTDHRCWJUOBPX-VLLVSFFDSA-N 1 1 318.381 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001026149717 662542741 /nfs/dbraw/zinc/54/27/41/662542741.db2.gz USAUBUXRCHCOOT-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001026149717 662542745 /nfs/dbraw/zinc/54/27/45/662542745.db2.gz USAUBUXRCHCOOT-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001026147533 662542760 /nfs/dbraw/zinc/54/27/60/662542760.db2.gz PBQWBYNEKZIEIT-LPUQOGTASA-N 1 1 311.382 -1.339 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146740 662542779 /nfs/dbraw/zinc/54/27/79/662542779.db2.gz FOASBQXUBVIGDS-SRQGCSHVSA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146740 662542782 /nfs/dbraw/zinc/54/27/82/662542782.db2.gz FOASBQXUBVIGDS-SRQGCSHVSA-N 1 1 316.383 -2.402 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026143948 662542830 /nfs/dbraw/zinc/54/28/30/662542830.db2.gz VYTSLIDATHRRSF-FRVYIDGWSA-N 1 1 311.382 -1.339 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143926 662542863 /nfs/dbraw/zinc/54/28/63/662542863.db2.gz MWXXAIKIBXFOQU-BQSNPHCVSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143926 662542864 /nfs/dbraw/zinc/54/28/64/662542864.db2.gz MWXXAIKIBXFOQU-BQSNPHCVSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026147582 662542924 /nfs/dbraw/zinc/54/29/24/662542924.db2.gz VTOMMADEDZZTKT-BQSNPHCVSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026147582 662542926 /nfs/dbraw/zinc/54/29/26/662542926.db2.gz VTOMMADEDZZTKT-BQSNPHCVSA-N 1 1 324.381 -1.846 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146833 662543010 /nfs/dbraw/zinc/54/30/10/662543010.db2.gz YWTQDIZEWLSLBY-GCHJQGSQSA-N 1 1 317.411 -1.241 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001026147532 662543018 /nfs/dbraw/zinc/54/30/18/662543018.db2.gz PBQWBYNEKZIEIT-FRVYIDGWSA-N 1 1 311.382 -1.339 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146830 662543148 /nfs/dbraw/zinc/54/31/48/662543148.db2.gz WPBVMVUTUBQYBM-UVOCVTCTSA-N 1 1 303.384 -1.895 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026154871 662543309 /nfs/dbraw/zinc/54/33/09/662543309.db2.gz ZZZSATXERVMYPU-CDHFTJPESA-N 1 1 320.349 -2.026 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154764 662543427 /nfs/dbraw/zinc/54/34/27/662543427.db2.gz PPBPOITWSQVBTN-DADSOTLSSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154764 662543430 /nfs/dbraw/zinc/54/34/30/662543430.db2.gz PPBPOITWSQVBTN-DADSOTLSSA-N 1 1 308.338 -2.041 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154811 662543501 /nfs/dbraw/zinc/54/35/01/662543501.db2.gz UDSGWQKUNLZGFB-CDHFTJPESA-N 1 1 322.365 -1.651 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153809 662543549 /nfs/dbraw/zinc/54/35/49/662543549.db2.gz YRPBZRUQPKYIAU-KZZRWZIVSA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973857559 662544375 /nfs/dbraw/zinc/54/43/75/662544375.db2.gz ODLNENADUYWJNC-SDDRHHMPSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973866479 662544532 /nfs/dbraw/zinc/54/45/32/662544532.db2.gz VMYVILOAKUKGMZ-YFKTTZPYSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973862551 662544556 /nfs/dbraw/zinc/54/45/56/662544556.db2.gz NBBKUPVKJCJYKB-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973861535 662544579 /nfs/dbraw/zinc/54/45/79/662544579.db2.gz QVIYHNKTDVXRGK-AXFHLTTASA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973861535 662544581 /nfs/dbraw/zinc/54/45/81/662544581.db2.gz QVIYHNKTDVXRGK-AXFHLTTASA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000973878786 662544871 /nfs/dbraw/zinc/54/48/71/662544871.db2.gz HFTNAXVLCASPKK-FRRDWIJNSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000973878786 662544873 /nfs/dbraw/zinc/54/48/73/662544873.db2.gz HFTNAXVLCASPKK-FRRDWIJNSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000973949988 662545843 /nfs/dbraw/zinc/54/58/43/662545843.db2.gz JWWQBDXEQRMKOK-ZRUFSTJUSA-N 1 1 310.354 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000973949983 662545983 /nfs/dbraw/zinc/54/59/83/662545983.db2.gz JWWQBDXEQRMKOK-YTWAJWBKSA-N 1 1 310.354 -1.048 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949314 662546006 /nfs/dbraw/zinc/54/60/06/662546006.db2.gz BQAOSDBTVBIVBE-WRWGMCAJSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949314 662546007 /nfs/dbraw/zinc/54/60/07/662546007.db2.gz BQAOSDBTVBIVBE-WRWGMCAJSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000973960572 662546320 /nfs/dbraw/zinc/54/63/20/662546320.db2.gz WVPWRJUHRGXZKP-AXFHLTTASA-N 1 1 307.358 -1.469 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000973964763 662546347 /nfs/dbraw/zinc/54/63/47/662546347.db2.gz LHQIGLABWMTWSA-WRWGMCAJSA-N 1 1 323.397 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973989195 662546646 /nfs/dbraw/zinc/54/66/46/662546646.db2.gz OWNRFLOCTBSAHC-WRWGMCAJSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973989195 662546648 /nfs/dbraw/zinc/54/66/48/662546648.db2.gz OWNRFLOCTBSAHC-WRWGMCAJSA-N 1 1 324.381 -1.784 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973987235 662546800 /nfs/dbraw/zinc/54/68/00/662546800.db2.gz AZURZTHNFPROIG-AEJSXWLSSA-N 1 1 323.357 -2.082 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973987235 662546803 /nfs/dbraw/zinc/54/68/03/662546803.db2.gz AZURZTHNFPROIG-AEJSXWLSSA-N 1 1 323.357 -2.082 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973996239 662547241 /nfs/dbraw/zinc/54/72/41/662547241.db2.gz FMEHTQUMWSPRFF-OUAUKWLOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973996239 662547244 /nfs/dbraw/zinc/54/72/44/662547244.db2.gz FMEHTQUMWSPRFF-OUAUKWLOSA-N 1 1 323.357 -2.233 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973998149 662547464 /nfs/dbraw/zinc/54/74/64/662547464.db2.gz HPJSOWLSHBVPAA-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973998149 662547467 /nfs/dbraw/zinc/54/74/67/662547467.db2.gz HPJSOWLSHBVPAA-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973990440 662547546 /nfs/dbraw/zinc/54/75/46/662547546.db2.gz BVWWWUPJXVBLAT-LVEVGFFFSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973990440 662547549 /nfs/dbraw/zinc/54/75/49/662547549.db2.gz BVWWWUPJXVBLAT-LVEVGFFFSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974145563 662551630 /nfs/dbraw/zinc/55/16/30/662551630.db2.gz BQYRLLJSHINTHX-ZNSHCXBVSA-N 1 1 309.370 -1.617 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974148860 662551661 /nfs/dbraw/zinc/55/16/61/662551661.db2.gz WWGWUXWHHZYERQ-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000974147525 662551669 /nfs/dbraw/zinc/55/16/69/662551669.db2.gz DAZXCXXAIVSHQP-BBBLOLIVSA-N 1 1 307.358 -1.461 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000974146619 662551829 /nfs/dbraw/zinc/55/18/29/662551829.db2.gz HIFAUPCVFAKPSI-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974152672 662551889 /nfs/dbraw/zinc/55/18/89/662551889.db2.gz SRXGBUAVZTXWPB-OUAUKWLOSA-N 1 1 320.353 -1.364 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000974150654 662551908 /nfs/dbraw/zinc/55/19/08/662551908.db2.gz NFPKLROXSFUNAF-YFKTTZPYSA-N 1 1 323.397 -1.275 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000974149626 662552092 /nfs/dbraw/zinc/55/20/92/662552092.db2.gz IMQBNFPMTMANJH-SDDRHHMPSA-N 1 1 306.370 -1.007 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008192515 662553568 /nfs/dbraw/zinc/55/35/68/662553568.db2.gz WHUOFCQLZCCISZ-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008192515 662553574 /nfs/dbraw/zinc/55/35/74/662553574.db2.gz WHUOFCQLZCCISZ-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000974185719 662553753 /nfs/dbraw/zinc/55/37/53/662553753.db2.gz RKYLQFMJDQSWPX-ZIQFBCGOSA-N 1 1 323.397 -1.229 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@H]23)n1 ZINC001026379700 662554562 /nfs/dbraw/zinc/55/45/62/662554562.db2.gz JBOWIXJCNCXZFX-KXUCPTDWSA-N 1 1 317.357 -1.031 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)n1 ZINC001026379699 662554604 /nfs/dbraw/zinc/55/46/04/662554604.db2.gz JBOWIXJCNCXZFX-IVZWLZJFSA-N 1 1 317.357 -1.031 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000930728551 662555112 /nfs/dbraw/zinc/55/51/12/662555112.db2.gz APPNSFQTDUBAFQ-GFCCVEGCSA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000930728551 662555118 /nfs/dbraw/zinc/55/51/18/662555118.db2.gz APPNSFQTDUBAFQ-GFCCVEGCSA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000930728554 662555576 /nfs/dbraw/zinc/55/55/76/662555576.db2.gz APPNSFQTDUBAFQ-LBPRGKRZSA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000930728554 662555580 /nfs/dbraw/zinc/55/55/80/662555580.db2.gz APPNSFQTDUBAFQ-LBPRGKRZSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC000947678810 662556076 /nfs/dbraw/zinc/55/60/76/662556076.db2.gz AGLMJOWRYZEAHB-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC000947678812 662556224 /nfs/dbraw/zinc/55/62/24/662556224.db2.gz AGLMJOWRYZEAHB-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947310319 662556303 /nfs/dbraw/zinc/55/63/03/662556303.db2.gz PFTUDDFLCABQKH-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974294197 662556595 /nfs/dbraw/zinc/55/65/95/662556595.db2.gz FOVUVXHRTPVHGU-WRWGMCAJSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974370725 662560190 /nfs/dbraw/zinc/56/01/90/662560190.db2.gz WVNMNWHMQXJABK-ZNSHCXBVSA-N 1 1 321.385 -1.215 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522768 662561814 /nfs/dbraw/zinc/56/18/14/662561814.db2.gz RDCPUYOAGUVDGU-ZJUUUORDSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522768 662561815 /nfs/dbraw/zinc/56/18/15/662561815.db2.gz RDCPUYOAGUVDGU-ZJUUUORDSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001026732874 662562483 /nfs/dbraw/zinc/56/24/83/662562483.db2.gz GTPJDKPKGGMTRU-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2COCCN2C)C(C)(C)C1 ZINC000974484873 662562592 /nfs/dbraw/zinc/56/25/92/662562592.db2.gz OBVULINVQKRSSW-RYUDHWBXSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2C)C(C)(C)C1 ZINC000974484873 662562596 /nfs/dbraw/zinc/56/25/96/662562596.db2.gz OBVULINVQKRSSW-RYUDHWBXSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974470637 662562752 /nfs/dbraw/zinc/56/27/52/662562752.db2.gz BYLZCHIROONBAG-SECBINFHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974470637 662562753 /nfs/dbraw/zinc/56/27/53/662562753.db2.gz BYLZCHIROONBAG-SECBINFHSA-N 1 1 310.358 -1.444 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC001026776783 662562952 /nfs/dbraw/zinc/56/29/52/662562952.db2.gz ORZPLQGEBSKYHW-QWRGUYRKSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974470641 662563045 /nfs/dbraw/zinc/56/30/45/662563045.db2.gz BYLZCHIROONBAG-VIFPVBQESA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974470641 662563048 /nfs/dbraw/zinc/56/30/48/662563048.db2.gz BYLZCHIROONBAG-VIFPVBQESA-N 1 1 310.358 -1.444 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cnn(C)c3N)C2)n1 ZINC001026800299 662563294 /nfs/dbraw/zinc/56/32/94/662563294.db2.gz WZKYDNNHQDOJKF-VIFPVBQESA-N 1 1 319.373 -1.222 20 0 DAADMO NC(=O)C1(C(=O)N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000949983212 662563520 /nfs/dbraw/zinc/56/35/20/662563520.db2.gz SVTOASIVTYPIJX-GFCCVEGCSA-N 1 1 321.381 -1.346 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001026790754 662563590 /nfs/dbraw/zinc/56/35/90/662563590.db2.gz GQDADYSJNGUSAT-GFCCVEGCSA-N 1 1 323.401 -1.520 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001026819167 662563772 /nfs/dbraw/zinc/56/37/72/662563772.db2.gz NWYHPHPCKZJHSI-IUCAKERBSA-N 1 1 309.330 -1.743 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600870 662564246 /nfs/dbraw/zinc/56/42/46/662564246.db2.gz HYUIKCCYILONSZ-MNOVXSKESA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600870 662564249 /nfs/dbraw/zinc/56/42/49/662564249.db2.gz HYUIKCCYILONSZ-MNOVXSKESA-N 1 1 323.401 -1.024 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000974602901 662564477 /nfs/dbraw/zinc/56/44/77/662564477.db2.gz ZQEQRSDXCPYNBM-SNVBAGLBSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600868 662564568 /nfs/dbraw/zinc/56/45/68/662564568.db2.gz HYUIKCCYILONSZ-GHMZBOCLSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600868 662564569 /nfs/dbraw/zinc/56/45/69/662564569.db2.gz HYUIKCCYILONSZ-GHMZBOCLSA-N 1 1 323.401 -1.024 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974608786 662565209 /nfs/dbraw/zinc/56/52/09/662565209.db2.gz YGRPWIJILQFXBJ-NSHDSACASA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974608786 662565211 /nfs/dbraw/zinc/56/52/11/662565211.db2.gz YGRPWIJILQFXBJ-NSHDSACASA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3nccn3)C2)n1 ZINC001026867614 662565675 /nfs/dbraw/zinc/56/56/75/662565675.db2.gz RUNUJNQPUBLUDE-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001026933294 662566185 /nfs/dbraw/zinc/56/61/85/662566185.db2.gz HYHIKQAFRTWEPV-GHMZBOCLSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C(C)(C)C1 ZINC000974704265 662566230 /nfs/dbraw/zinc/56/62/30/662566230.db2.gz REXDDIDJZBJUQA-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C(C)(C)C1 ZINC000974704265 662566231 /nfs/dbraw/zinc/56/62/31/662566231.db2.gz REXDDIDJZBJUQA-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001026933296 662566391 /nfs/dbraw/zinc/56/63/91/662566391.db2.gz HYHIKQAFRTWEPV-QWRGUYRKSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001026903851 662566395 /nfs/dbraw/zinc/56/63/95/662566395.db2.gz QPMYMTWOEOGFSD-VIFPVBQESA-N 1 1 318.341 -1.042 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001026907706 662566397 /nfs/dbraw/zinc/56/63/97/662566397.db2.gz UDEIHMIGEALSJU-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC001026933295 662566422 /nfs/dbraw/zinc/56/64/22/662566422.db2.gz HYHIKQAFRTWEPV-MNOVXSKESA-N 1 1 321.385 -1.326 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026985483 662567151 /nfs/dbraw/zinc/56/71/51/662567151.db2.gz UFOODSWUNHIWSO-SECBINFHSA-N 1 1 305.346 -1.111 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899965 662568684 /nfs/dbraw/zinc/56/86/84/662568684.db2.gz GXVWRHGFRMCDQG-NXEZZACHSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899965 662568689 /nfs/dbraw/zinc/56/86/89/662568689.db2.gz GXVWRHGFRMCDQG-NXEZZACHSA-N 1 1 311.386 -1.417 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974911229 662569883 /nfs/dbraw/zinc/56/98/83/662569883.db2.gz IPQZIVSRRXSZCY-GFCCVEGCSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)(C)n1nnc(C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027032815 662570055 /nfs/dbraw/zinc/57/00/55/662570055.db2.gz CJLDQFOZKJFUOG-SECBINFHSA-N 1 1 309.374 -1.149 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974968610 662571072 /nfs/dbraw/zinc/57/10/72/662571072.db2.gz WHWCDSWSZHHRNX-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974968610 662571075 /nfs/dbraw/zinc/57/10/75/662571075.db2.gz WHWCDSWSZHHRNX-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974965763 662571442 /nfs/dbraw/zinc/57/14/42/662571442.db2.gz YMYHZWYDWQOCGJ-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)n1 ZINC001027060868 662572175 /nfs/dbraw/zinc/57/21/75/662572175.db2.gz PMJCITPQULKMOU-IINYFYTJSA-N 1 1 321.385 -1.326 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974997341 662572209 /nfs/dbraw/zinc/57/22/09/662572209.db2.gz POAQHKKVGUCSTP-MNOVXSKESA-N 1 1 321.385 -1.214 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994404 662572588 /nfs/dbraw/zinc/57/25/88/662572588.db2.gz KEHGBZMSZVZALP-MNOVXSKESA-N 1 1 323.397 -1.227 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994404 662572591 /nfs/dbraw/zinc/57/25/91/662572591.db2.gz KEHGBZMSZVZALP-MNOVXSKESA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991303 662573005 /nfs/dbraw/zinc/57/30/05/662573005.db2.gz CZTSVSXEYVDJAO-UWVGGRQHSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991303 662573010 /nfs/dbraw/zinc/57/30/10/662573010.db2.gz CZTSVSXEYVDJAO-UWVGGRQHSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863987 662573567 /nfs/dbraw/zinc/57/35/67/662573567.db2.gz VTORWRUUUOMEFO-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863987 662573571 /nfs/dbraw/zinc/57/35/71/662573571.db2.gz VTORWRUUUOMEFO-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975632431 662576103 /nfs/dbraw/zinc/57/61/03/662576103.db2.gz FMQUTJXKWSRDDI-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975632431 662576106 /nfs/dbraw/zinc/57/61/06/662576106.db2.gz FMQUTJXKWSRDDI-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006694534 662576877 /nfs/dbraw/zinc/57/68/77/662576877.db2.gz PQJNXJQGVFEFPA-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006694534 662576879 /nfs/dbraw/zinc/57/68/79/662576879.db2.gz PQJNXJQGVFEFPA-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006696184 662576943 /nfs/dbraw/zinc/57/69/43/662576943.db2.gz SLPZZHDBIFCDGB-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006696184 662576947 /nfs/dbraw/zinc/57/69/47/662576947.db2.gz SLPZZHDBIFCDGB-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006694536 662576988 /nfs/dbraw/zinc/57/69/88/662576988.db2.gz PQJNXJQGVFEFPA-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006694536 662576991 /nfs/dbraw/zinc/57/69/91/662576991.db2.gz PQJNXJQGVFEFPA-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290837 662577245 /nfs/dbraw/zinc/57/72/45/662577245.db2.gz FTLNTXZGZCHIDG-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290827 662577333 /nfs/dbraw/zinc/57/73/33/662577333.db2.gz FMVQBLQTCUSQCY-LLVKDONJSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290827 662577337 /nfs/dbraw/zinc/57/73/37/662577337.db2.gz FMVQBLQTCUSQCY-LLVKDONJSA-N 1 1 319.373 -1.075 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696869 662577396 /nfs/dbraw/zinc/57/73/96/662577396.db2.gz VWWBLJDMYFRGIA-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696869 662577398 /nfs/dbraw/zinc/57/73/98/662577398.db2.gz VWWBLJDMYFRGIA-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696874 662577554 /nfs/dbraw/zinc/57/75/54/662577554.db2.gz VWWBLJDMYFRGIA-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696874 662577556 /nfs/dbraw/zinc/57/75/56/662577556.db2.gz VWWBLJDMYFRGIA-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)C1 ZINC000976234293 662581266 /nfs/dbraw/zinc/58/12/66/662581266.db2.gz MHIYUHQSSRAURG-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)C1 ZINC000976234293 662581267 /nfs/dbraw/zinc/58/12/67/662581267.db2.gz MHIYUHQSSRAURG-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]21 ZINC000976275459 662581781 /nfs/dbraw/zinc/58/17/81/662581781.db2.gz VAHBGGFQPMTYNU-LVEVGFFFSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 ZINC000976272233 662582025 /nfs/dbraw/zinc/58/20/25/662582025.db2.gz ITTMHXITRYLHJN-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC000976268672 662582029 /nfs/dbraw/zinc/58/20/29/662582029.db2.gz LCTPDAQDGQBRMF-KXNHARMFSA-N 1 1 320.393 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000976279574 662582260 /nfs/dbraw/zinc/58/22/60/662582260.db2.gz LFUIUGJLCJBBKD-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]32)C1 ZINC000976310229 662582545 /nfs/dbraw/zinc/58/25/45/662582545.db2.gz KIQWLKCISIPSIK-WHOHXGKFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]32)C1 ZINC000976310229 662582553 /nfs/dbraw/zinc/58/25/53/662582553.db2.gz KIQWLKCISIPSIK-WHOHXGKFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]32)C1 ZINC000976311149 662582600 /nfs/dbraw/zinc/58/26/00/662582600.db2.gz NAMICVSCQMTMBB-QNWHQSFQSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]32)C1 ZINC000976311149 662582601 /nfs/dbraw/zinc/58/26/01/662582601.db2.gz NAMICVSCQMTMBB-QNWHQSFQSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976310511 662582890 /nfs/dbraw/zinc/58/28/90/662582890.db2.gz LUUDXTSCRVOXMH-DMWPJOQESA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976310511 662582891 /nfs/dbraw/zinc/58/28/91/662582891.db2.gz LUUDXTSCRVOXMH-DMWPJOQESA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000976430505 662583690 /nfs/dbraw/zinc/58/36/90/662583690.db2.gz GLCRIYARDHIUTN-LVEVGFFFSA-N 1 1 322.365 -1.238 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000976449704 662584655 /nfs/dbraw/zinc/58/46/55/662584655.db2.gz DNIKUEJAVIRTED-WYUUTHIRSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027375118 662585574 /nfs/dbraw/zinc/58/55/74/662585574.db2.gz SQNLOXDLUPUUEA-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]32)C1 ZINC000976534934 662585967 /nfs/dbraw/zinc/58/59/67/662585967.db2.gz HVYOPDWNYHUAQE-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000976538696 662585971 /nfs/dbraw/zinc/58/59/71/662585971.db2.gz ZFCAPNLLWNIRFL-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000976531998 662586095 /nfs/dbraw/zinc/58/60/95/662586095.db2.gz IXHYDWYZSSTRRU-ZNSHCXBVSA-N 1 1 319.369 -1.652 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027377304 662586138 /nfs/dbraw/zinc/58/61/38/662586138.db2.gz KBWPPKNGNBQVAU-ZJUUUORDSA-N 1 1 310.358 -1.220 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000976534870 662586253 /nfs/dbraw/zinc/58/62/53/662586253.db2.gz GKBVMICGOBUIAW-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027377301 662586273 /nfs/dbraw/zinc/58/62/73/662586273.db2.gz KBWPPKNGNBQVAU-NXEZZACHSA-N 1 1 310.358 -1.220 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000976538700 662586304 /nfs/dbraw/zinc/58/63/04/662586304.db2.gz ZFCAPNLLWNIRFL-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]32)C1 ZINC000976537516 662586327 /nfs/dbraw/zinc/58/63/27/662586327.db2.gz USMLKQOWMHSWLD-GCHJQGSQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cncn4)C[C@H]32)C1 ZINC000976544340 662586695 /nfs/dbraw/zinc/58/66/95/662586695.db2.gz GWAPNLGFULHYLN-CIQGVGRVSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000976553209 662586929 /nfs/dbraw/zinc/58/69/29/662586929.db2.gz VRVIIWNCXOJKRZ-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1 ZINC000976558862 662587238 /nfs/dbraw/zinc/58/72/38/662587238.db2.gz XWNIBLCOOHUMHH-DCQANWLSSA-N 1 1 319.369 -1.802 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COC)C[C@H]32)C1 ZINC000976603044 662587631 /nfs/dbraw/zinc/58/76/31/662587631.db2.gz BRFCUIGBUIPJFM-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COC)C[C@H]32)C1 ZINC000976603044 662587632 /nfs/dbraw/zinc/58/76/32/662587632.db2.gz BRFCUIGBUIPJFM-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC[N@H+]1C ZINC000976609623 662587930 /nfs/dbraw/zinc/58/79/30/662587930.db2.gz OCAYYMMWIPILMH-PREPNJAASA-N 1 1 308.382 -1.225 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976668280 662588263 /nfs/dbraw/zinc/58/82/63/662588263.db2.gz VHQZCVMIWYVDKW-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000976647377 662588311 /nfs/dbraw/zinc/58/83/11/662588311.db2.gz OOYBFZGUXPAZLB-ZIQFBCGOSA-N 1 1 322.365 -2.092 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411383 662588545 /nfs/dbraw/zinc/58/85/45/662588545.db2.gz DFCDTEOJYOCREG-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001027411984 662588623 /nfs/dbraw/zinc/58/86/23/662588623.db2.gz LQHVBEXQSRDTRB-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000976758569 662589215 /nfs/dbraw/zinc/58/92/15/662589215.db2.gz GFYCPVMOYSIPSX-DIACKHNESA-N 1 1 311.382 -1.075 20 0 DAADMO COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000976758569 662589216 /nfs/dbraw/zinc/58/92/16/662589216.db2.gz GFYCPVMOYSIPSX-DIACKHNESA-N 1 1 311.382 -1.075 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)no1 ZINC000976778908 662589594 /nfs/dbraw/zinc/58/95/94/662589594.db2.gz QKHDQDMAEWUGJO-JZYVYDRUSA-N 1 1 321.337 -1.592 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646709 662591648 /nfs/dbraw/zinc/59/16/48/662591648.db2.gz FHASCSFINHZCDW-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646709 662591650 /nfs/dbraw/zinc/59/16/50/662591650.db2.gz FHASCSFINHZCDW-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000976847610 662591689 /nfs/dbraw/zinc/59/16/89/662591689.db2.gz JZMRWKFAPFLUCS-MSRIBSCDSA-N 1 1 305.338 -1.360 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000976841097 662591759 /nfs/dbraw/zinc/59/17/59/662591759.db2.gz YZAYSMQEHQZVLU-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646711 662591830 /nfs/dbraw/zinc/59/18/30/662591830.db2.gz FHASCSFINHZCDW-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646711 662591832 /nfs/dbraw/zinc/59/18/32/662591832.db2.gz FHASCSFINHZCDW-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)cc1=O ZINC001027447255 662592402 /nfs/dbraw/zinc/59/24/02/662592402.db2.gz DXBBUYQZLGYESO-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)cc1=O ZINC001027447255 662592404 /nfs/dbraw/zinc/59/24/04/662592404.db2.gz DXBBUYQZLGYESO-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000976932561 662593057 /nfs/dbraw/zinc/59/30/57/662593057.db2.gz QSXSIUAHIXHRLC-CIGZNWKYSA-N 1 1 320.393 -1.079 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000977608235 662604146 /nfs/dbraw/zinc/60/41/46/662604146.db2.gz ZMPVYSBLOUNBDA-ZJUUUORDSA-N 1 1 305.400 -1.503 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000977076584 662597262 /nfs/dbraw/zinc/59/72/62/662597262.db2.gz SDKYRFDGQOWSCT-ROHXPCBUSA-N 1 1 321.381 -1.665 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977094213 662599073 /nfs/dbraw/zinc/59/90/73/662599073.db2.gz HDFMFFGTIZFDTH-YTWAJWBKSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977094213 662599074 /nfs/dbraw/zinc/59/90/74/662599074.db2.gz HDFMFFGTIZFDTH-YTWAJWBKSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977095155 662599422 /nfs/dbraw/zinc/59/94/22/662599422.db2.gz OVIZMFMPYYGYKP-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977095154 662599577 /nfs/dbraw/zinc/59/95/77/662599577.db2.gz OVIZMFMPYYGYKP-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]21 ZINC000977095116 662599609 /nfs/dbraw/zinc/59/96/09/662599609.db2.gz NJSVIKRRXFSTMX-ZIQFBCGOSA-N 1 1 322.365 -2.092 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000977081681 662599917 /nfs/dbraw/zinc/59/99/17/662599917.db2.gz APTGPNRJRMOQQM-ZIQFBCGOSA-N 1 1 321.381 -1.808 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977206076 662601246 /nfs/dbraw/zinc/60/12/46/662601246.db2.gz BAFLCHBFGFNZAV-ZRDGONRFSA-N 1 1 308.382 -1.368 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324967 662602249 /nfs/dbraw/zinc/60/22/49/662602249.db2.gz DSFSQADDSMWWKH-PSASIEDQSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324967 662602251 /nfs/dbraw/zinc/60/22/51/662602251.db2.gz DSFSQADDSMWWKH-PSASIEDQSA-N 1 1 324.381 -1.260 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)S1(=O)=O ZINC000977324649 662602256 /nfs/dbraw/zinc/60/22/56/662602256.db2.gz IIOXIRVFERHWBT-MNOVXSKESA-N 1 1 319.427 -1.161 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)c1=O ZINC001027505475 662602384 /nfs/dbraw/zinc/60/23/84/662602384.db2.gz PQWMNHPZYMSRPE-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)S1(=O)=O ZINC000977324656 662602496 /nfs/dbraw/zinc/60/24/96/662602496.db2.gz IIOXIRVFERHWBT-QWRGUYRKSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324991 662602513 /nfs/dbraw/zinc/60/25/13/662602513.db2.gz DSFSQADDSMWWKH-WPRPVWTQSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324991 662602514 /nfs/dbraw/zinc/60/25/14/662602514.db2.gz DSFSQADDSMWWKH-WPRPVWTQSA-N 1 1 324.381 -1.260 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519547 662602717 /nfs/dbraw/zinc/60/27/17/662602717.db2.gz PPPLLCXYKJZOBT-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519547 662602718 /nfs/dbraw/zinc/60/27/18/662602718.db2.gz PPPLLCXYKJZOBT-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977527195 662603630 /nfs/dbraw/zinc/60/36/30/662603630.db2.gz SDIPUGPVRNHCOU-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977527195 662603632 /nfs/dbraw/zinc/60/36/32/662603632.db2.gz SDIPUGPVRNHCOU-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977524346 662603777 /nfs/dbraw/zinc/60/37/77/662603777.db2.gz OHDNAXCCCVXQKB-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977524346 662603779 /nfs/dbraw/zinc/60/37/79/662603779.db2.gz OHDNAXCCCVXQKB-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977565037 662604294 /nfs/dbraw/zinc/60/42/94/662604294.db2.gz IKACAOPCSJJMTJ-WDEREUQCSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977565037 662604296 /nfs/dbraw/zinc/60/42/96/662604296.db2.gz IKACAOPCSJJMTJ-WDEREUQCSA-N 1 1 306.370 -1.007 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C(C)(C)C1 ZINC000977568792 662604343 /nfs/dbraw/zinc/60/43/43/662604343.db2.gz QBWGNFXKFVLUOT-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C(C)(C)C1 ZINC000977568792 662604344 /nfs/dbraw/zinc/60/43/44/662604344.db2.gz QBWGNFXKFVLUOT-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622788 662604526 /nfs/dbraw/zinc/60/45/26/662604526.db2.gz SNUFRXJSCKLNSV-GXSJLCMTSA-N 1 1 324.385 -1.416 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000977622704 662604678 /nfs/dbraw/zinc/60/46/78/662604678.db2.gz RNRFOYOLSMZYNR-NSHDSACASA-N 1 1 324.385 -1.414 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554770 662605592 /nfs/dbraw/zinc/60/55/92/662605592.db2.gz WUILBGKGSKAFNC-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]21 ZINC000977695321 662605670 /nfs/dbraw/zinc/60/56/70/662605670.db2.gz PWZQZKOABCNQBO-QKDCVEJESA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977732873 662605829 /nfs/dbraw/zinc/60/58/29/662605829.db2.gz PDKPUWFVDUFNIK-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1COCCO1 ZINC000977834948 662606399 /nfs/dbraw/zinc/60/63/99/662606399.db2.gz GVDFMBHWTCFUMR-FQUUOJAGSA-N 1 1 321.381 -1.013 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1)NC1CC1 ZINC000977842728 662606706 /nfs/dbraw/zinc/60/67/06/662606706.db2.gz VFSFYTSDUCTVSW-FQUUOJAGSA-N 1 1 323.393 -1.026 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)O1 ZINC000977926964 662607168 /nfs/dbraw/zinc/60/71/68/662607168.db2.gz POODBOGZIUVEDS-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)O1 ZINC000977926964 662607169 /nfs/dbraw/zinc/60/71/69/662607169.db2.gz POODBOGZIUVEDS-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3N)[C@@H]2C1 ZINC000977939607 662607190 /nfs/dbraw/zinc/60/71/90/662607190.db2.gz QSZMSSKJLRNZKF-KYXWUPHJSA-N 1 1 304.354 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3N)[C@@H]2C1 ZINC000977939597 662607193 /nfs/dbraw/zinc/60/71/93/662607193.db2.gz QSZMSSKJLRNZKF-AATLWQCWSA-N 1 1 304.354 -1.160 20 0 DAADMO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977943332 662607208 /nfs/dbraw/zinc/60/72/08/662607208.db2.gz HWNGJWUTTXEHNH-SECBINFHSA-N 1 1 323.353 -1.106 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)O1 ZINC000977926967 662607227 /nfs/dbraw/zinc/60/72/27/662607227.db2.gz POODBOGZIUVEDS-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)O1 ZINC000977926967 662607228 /nfs/dbraw/zinc/60/72/28/662607228.db2.gz POODBOGZIUVEDS-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3N)[C@@H]2C1 ZINC000977950471 662607426 /nfs/dbraw/zinc/60/74/26/662607426.db2.gz FWDCONZGNMYUKO-OWUUHHOZSA-N 1 1 304.354 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC000978043793 662608427 /nfs/dbraw/zinc/60/84/27/662608427.db2.gz CXLWTBAYHIKNAQ-MPKXCIJOSA-N 1 1 306.370 -1.216 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC000978083292 662608472 /nfs/dbraw/zinc/60/84/72/662608472.db2.gz ZQBDZZHHOBSOEP-ZBPZKIAKSA-N 1 1 308.382 -1.368 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC000978069254 662608834 /nfs/dbraw/zinc/60/88/34/662608834.db2.gz CORHELXPGYPSKK-OWUUHHOZSA-N 1 1 308.338 -1.368 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC000978080669 662608860 /nfs/dbraw/zinc/60/88/60/662608860.db2.gz VYYWYYWEGXPRAW-FQUUOJAGSA-N 1 1 320.393 -1.353 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978080725 662608903 /nfs/dbraw/zinc/60/89/03/662608903.db2.gz KPERMVGUKSADTQ-XWLWVQCSSA-N 1 1 306.370 -1.143 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000978125319 662609621 /nfs/dbraw/zinc/60/96/21/662609621.db2.gz XTCYPHLUNFSUEE-GUDRVLHUSA-N 1 1 304.354 -1.389 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000978125325 662609680 /nfs/dbraw/zinc/60/96/80/662609680.db2.gz XTCYPHLUNFSUEE-MWGHHZFTSA-N 1 1 304.354 -1.389 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC000978197634 662610508 /nfs/dbraw/zinc/61/05/08/662610508.db2.gz DDSAAVGNFMHAJG-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199116 662611043 /nfs/dbraw/zinc/61/10/43/662611043.db2.gz ZOMMBVGGNVMAAT-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199116 662611045 /nfs/dbraw/zinc/61/10/45/662611045.db2.gz ZOMMBVGGNVMAAT-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000978228258 662611469 /nfs/dbraw/zinc/61/14/69/662611469.db2.gz RKZGNMXVTJTPAK-OWUUHHOZSA-N 1 1 321.385 -1.179 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978253249 662611625 /nfs/dbraw/zinc/61/16/25/662611625.db2.gz UJYDALPEGFATKK-RTCCRHLQSA-N 1 1 306.370 -1.001 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC000978287453 662612110 /nfs/dbraw/zinc/61/21/10/662612110.db2.gz KJNJZQSKDLVYHS-XWLWVQCSSA-N 1 1 319.365 -1.438 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC001027613487 662612840 /nfs/dbraw/zinc/61/28/40/662612840.db2.gz YGEVEAUUUXKLBY-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978379181 662613028 /nfs/dbraw/zinc/61/30/28/662613028.db2.gz YQHHQCFUTJFBGO-RVMXOQNASA-N 1 1 310.398 -1.514 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)C1=O ZINC000978396863 662613129 /nfs/dbraw/zinc/61/31/29/662613129.db2.gz SJAAFQJXPSXZQR-MWGHHZFTSA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)C1=O ZINC000978396863 662613131 /nfs/dbraw/zinc/61/31/31/662613131.db2.gz SJAAFQJXPSXZQR-MWGHHZFTSA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)C1=O ZINC000978396863 662613134 /nfs/dbraw/zinc/61/31/34/662613134.db2.gz SJAAFQJXPSXZQR-MWGHHZFTSA-N 1 1 304.354 -1.057 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027616922 662613378 /nfs/dbraw/zinc/61/33/78/662613378.db2.gz NTBXEWLUMVSDQY-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617429 662613685 /nfs/dbraw/zinc/61/36/85/662613685.db2.gz QMNZGTKKUPGMRC-SNVBAGLBSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617429 662613686 /nfs/dbraw/zinc/61/36/86/662613686.db2.gz QMNZGTKKUPGMRC-SNVBAGLBSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628943 662614388 /nfs/dbraw/zinc/61/43/88/662614388.db2.gz OIKUAAPSVSLJEQ-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC000978586620 662614549 /nfs/dbraw/zinc/61/45/49/662614549.db2.gz TZQNVNYOVPUJAS-ZDEQEGDKSA-N 1 1 320.393 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC000978596568 662614565 /nfs/dbraw/zinc/61/45/65/662614565.db2.gz CDTBRWKLZLOQQU-FIQHERPVSA-N 1 1 308.382 -1.495 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)c[nH]c1=O ZINC000978593735 662614608 /nfs/dbraw/zinc/61/46/08/662614608.db2.gz MOXUPRCFTFZXOV-CHWFTXMASA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)c[nH]c1=O ZINC000978593751 662614611 /nfs/dbraw/zinc/61/46/11/662614611.db2.gz MOXUPRCFTFZXOV-MMWGEVLESA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC000978605099 662614872 /nfs/dbraw/zinc/61/48/72/662614872.db2.gz ZKKMUCQEZKYHGP-SLGCYQGISA-N 1 1 321.337 -2.121 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978611022 662614913 /nfs/dbraw/zinc/61/49/13/662614913.db2.gz GSDLPENMLHTKPK-CHWFTXMASA-N 1 1 319.369 -1.652 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)nn1 ZINC000978606655 662615002 /nfs/dbraw/zinc/61/50/02/662615002.db2.gz QHLJIDLFQAJDBV-ZDEQEGDKSA-N 1 1 318.381 -1.255 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCNC4=O)[C@@H]3C2)nn1 ZINC000978606655 662615004 /nfs/dbraw/zinc/61/50/04/662615004.db2.gz QHLJIDLFQAJDBV-ZDEQEGDKSA-N 1 1 318.381 -1.255 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)C1=O ZINC001027647168 662615292 /nfs/dbraw/zinc/61/52/92/662615292.db2.gz DEGHMIAXOZQUAI-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000978637045 662615396 /nfs/dbraw/zinc/61/53/96/662615396.db2.gz PWZOZBQILCIVRD-RTCCRHLQSA-N 1 1 319.369 -1.650 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978672286 662615590 /nfs/dbraw/zinc/61/55/90/662615590.db2.gz JUEPPHALEMRIDM-RVMXOQNASA-N 1 1 318.381 -1.105 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978664654 662615702 /nfs/dbraw/zinc/61/57/02/662615702.db2.gz YVLJTEZZVUKKMI-XWLWVQCSSA-N 1 1 319.365 -1.188 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673549 662615856 /nfs/dbraw/zinc/61/58/56/662615856.db2.gz NJWCMEMNPPSNEL-YFKTTZPYSA-N 1 1 319.369 -1.710 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673549 662615859 /nfs/dbraw/zinc/61/58/59/662615859.db2.gz NJWCMEMNPPSNEL-YFKTTZPYSA-N 1 1 319.369 -1.710 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000978704630 662615881 /nfs/dbraw/zinc/61/58/81/662615881.db2.gz JXEDCKAPHWPSTN-HHHUOAJASA-N 1 1 324.381 -1.941 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000978669361 662615937 /nfs/dbraw/zinc/61/59/37/662615937.db2.gz UPTTULXICDQVBO-OUAUKWLOSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]c1=O ZINC000978680467 662615980 /nfs/dbraw/zinc/61/59/80/662615980.db2.gz SERSCBVESGGMQY-MWGHHZFTSA-N 1 1 319.365 -1.078 20 0 DAADMO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000978680467 662615981 /nfs/dbraw/zinc/61/59/81/662615981.db2.gz SERSCBVESGGMQY-MWGHHZFTSA-N 1 1 319.365 -1.078 20 0 DAADMO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000978680467 662615982 /nfs/dbraw/zinc/61/59/82/662615982.db2.gz SERSCBVESGGMQY-MWGHHZFTSA-N 1 1 319.365 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)co3)[C@@H]2C1 ZINC000978700586 662616252 /nfs/dbraw/zinc/61/62/52/662616252.db2.gz RSHCQTIBDPVCLF-OWUUHHOZSA-N 1 1 306.322 -1.229 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCC(=O)N3)[C@@H]2C1 ZINC000978755330 662616269 /nfs/dbraw/zinc/61/62/69/662616269.db2.gz QHVBWIYKIVRMDK-YFKTTZPYSA-N 1 1 308.382 -1.176 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978742695 662616649 /nfs/dbraw/zinc/61/66/49/662616649.db2.gz JSUNLVLHXAEOKD-MLGHIDQZSA-N 1 1 318.381 -1.270 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978742695 662616652 /nfs/dbraw/zinc/61/66/52/662616652.db2.gz JSUNLVLHXAEOKD-MLGHIDQZSA-N 1 1 318.381 -1.270 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001027666573 662616714 /nfs/dbraw/zinc/61/67/14/662616714.db2.gz GXZIRRWCACWWPK-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001027666573 662616716 /nfs/dbraw/zinc/61/67/16/662616716.db2.gz GXZIRRWCACWWPK-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)ccc1=O ZINC001027672933 662616981 /nfs/dbraw/zinc/61/69/81/662616981.db2.gz LLYWMFHCHUYMKB-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)ccc1=O ZINC001027672933 662616983 /nfs/dbraw/zinc/61/69/83/662616983.db2.gz LLYWMFHCHUYMKB-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)c(=O)n(C)c1=O ZINC000978807750 662617147 /nfs/dbraw/zinc/61/71/47/662617147.db2.gz JQMNLYLOEQFYFH-RTCCRHLQSA-N 1 1 324.356 -1.039 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000978840476 662617285 /nfs/dbraw/zinc/61/72/85/662617285.db2.gz IDNIMIBFKSCZLO-MXWKQRLJSA-N 1 1 321.385 -1.214 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000978835432 662617525 /nfs/dbraw/zinc/61/75/25/662617525.db2.gz FAQAPLNZSHZQLN-CNDDSTCGSA-N 1 1 318.381 -1.045 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684824 662617723 /nfs/dbraw/zinc/61/77/23/662617723.db2.gz GHGIDWVZQIOXQM-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684824 662617724 /nfs/dbraw/zinc/61/77/24/662617724.db2.gz GHGIDWVZQIOXQM-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684847 662617774 /nfs/dbraw/zinc/61/77/74/662617774.db2.gz GOFQPMUFZRHODD-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978850573 662617959 /nfs/dbraw/zinc/61/79/59/662617959.db2.gz BSSNLVYEAWTQDJ-OWUUHHOZSA-N 1 1 308.338 -2.182 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001027696708 662618108 /nfs/dbraw/zinc/61/81/08/662618108.db2.gz MXDKHGAQWBMCQI-SNVBAGLBSA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001027696708 662618110 /nfs/dbraw/zinc/61/81/10/662618110.db2.gz MXDKHGAQWBMCQI-SNVBAGLBSA-N 1 1 309.370 -1.255 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693076 662618268 /nfs/dbraw/zinc/61/82/68/662618268.db2.gz RABLVPPPRSJGSX-SECBINFHSA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693076 662618269 /nfs/dbraw/zinc/61/82/69/662618269.db2.gz RABLVPPPRSJGSX-SECBINFHSA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027702524 662618551 /nfs/dbraw/zinc/61/85/51/662618551.db2.gz GAZRDBZPJTWRPJ-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027702524 662618552 /nfs/dbraw/zinc/61/85/52/662618552.db2.gz GAZRDBZPJTWRPJ-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000978924096 662618575 /nfs/dbraw/zinc/61/85/75/662618575.db2.gz UPOIBPBUHSHHPV-OWUUHHOZSA-N 1 1 305.338 -1.122 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cc(=O)n2[nH]cnc2n1 ZINC000978978336 662618595 /nfs/dbraw/zinc/61/85/95/662618595.db2.gz ZUDHTYHEOYCLOZ-OWUUHHOZSA-N 1 1 318.337 -1.683 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)O1 ZINC000978976532 662618692 /nfs/dbraw/zinc/61/86/92/662618692.db2.gz IDBLRFZTOOQIBB-CHWFTXMASA-N 1 1 312.370 -1.798 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)O1 ZINC000978976532 662618694 /nfs/dbraw/zinc/61/86/94/662618694.db2.gz IDBLRFZTOOQIBB-CHWFTXMASA-N 1 1 312.370 -1.798 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979019748 662619462 /nfs/dbraw/zinc/61/94/62/662619462.db2.gz YXWAZMWACRCCTL-RVMXOQNASA-N 1 1 324.381 -1.987 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979019746 662619502 /nfs/dbraw/zinc/61/95/02/662619502.db2.gz YXWAZMWACRCCTL-FVCCEPFGSA-N 1 1 324.381 -1.987 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)nn1 ZINC000979075229 662619866 /nfs/dbraw/zinc/61/98/66/662619866.db2.gz FGRFKPYPOHBPHH-RTCCRHLQSA-N 1 1 322.369 -1.947 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000979055723 662619897 /nfs/dbraw/zinc/61/98/97/662619897.db2.gz IXLIELSIWRAMJB-OWUUHHOZSA-N 1 1 305.338 -1.525 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979071396 662620174 /nfs/dbraw/zinc/62/01/74/662620174.db2.gz HLRYXIYGMATGRJ-DOLQZWNJSA-N 1 1 316.383 -2.543 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC000979087682 662620213 /nfs/dbraw/zinc/62/02/13/662620213.db2.gz QKBFIYHHFOEXEP-DMLMCSCLSA-N 1 1 319.365 -1.105 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC000979069337 662620321 /nfs/dbraw/zinc/62/03/21/662620321.db2.gz AEIFYTCOMDPSKU-CHWFTXMASA-N 1 1 305.375 -1.058 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC000979089115 662620391 /nfs/dbraw/zinc/62/03/91/662620391.db2.gz RIXNWOLMPSMVDB-RTCCRHLQSA-N 1 1 319.365 -1.233 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)cn3)[C@@H]2C1 ZINC000979100570 662620682 /nfs/dbraw/zinc/62/06/82/662620682.db2.gz AQQODIJTOJRDSO-RTCCRHLQSA-N 1 1 317.349 -1.427 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC000979100312 662620725 /nfs/dbraw/zinc/62/07/25/662620725.db2.gz JJFWXCUGYVPMHI-RTCCRHLQSA-N 1 1 321.381 -1.623 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000979137354 662621244 /nfs/dbraw/zinc/62/12/44/662621244.db2.gz IMHBBEJFDZJJEJ-MXWKQRLJSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979219441 662621879 /nfs/dbraw/zinc/62/18/79/662621879.db2.gz VPDYGBJQKIQKSD-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000979203073 662621956 /nfs/dbraw/zinc/62/19/56/662621956.db2.gz BCQPXAUXIJJCIF-KXNHARMFSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000979203085 662622188 /nfs/dbraw/zinc/62/21/88/662622188.db2.gz BCQPXAUXIJJCIF-WRWGMCAJSA-N 1 1 323.397 -1.227 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC000979235941 662622360 /nfs/dbraw/zinc/62/23/60/662622360.db2.gz KTNHYFUVUGWMME-PWSUYJOCSA-N 1 1 324.385 -1.121 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC000979235938 662622414 /nfs/dbraw/zinc/62/24/14/662622414.db2.gz KTNHYFUVUGWMME-CMPLNLGQSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979229314 662622468 /nfs/dbraw/zinc/62/24/68/662622468.db2.gz KSVKKNAUYIVDSY-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979230191 662622472 /nfs/dbraw/zinc/62/24/72/662622472.db2.gz ASFQGHIXHXTSNS-MWLCHTKSSA-N 1 1 311.342 -1.041 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979298734 662622799 /nfs/dbraw/zinc/62/27/99/662622799.db2.gz GYGFYGZOVXAFLM-ZJUUUORDSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC000979255193 662622808 /nfs/dbraw/zinc/62/28/08/662622808.db2.gz KQMYXQGLECUWLK-CMPLNLGQSA-N 1 1 324.385 -1.121 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC000979255203 662622810 /nfs/dbraw/zinc/62/28/10/662622810.db2.gz KQMYXQGLECUWLK-PWSUYJOCSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979234126 662622835 /nfs/dbraw/zinc/62/28/35/662622835.db2.gz IVOCXMRNTZBIMA-VHSXEESVSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979233987 662622921 /nfs/dbraw/zinc/62/29/21/662622921.db2.gz IENIBFADXUOLCR-VHSXEESVSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979298732 662622972 /nfs/dbraw/zinc/62/29/72/662622972.db2.gz GYGFYGZOVXAFLM-VHSXEESVSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231062 662623035 /nfs/dbraw/zinc/62/30/35/662623035.db2.gz DDLVWHUDOIDZNC-ONGXEEELSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979259179 662623100 /nfs/dbraw/zinc/62/31/00/662623100.db2.gz PIILQBBIAVESAX-DTWKUNHWSA-N 1 1 311.346 -2.209 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979316697 662623242 /nfs/dbraw/zinc/62/32/42/662623242.db2.gz UGGVMOUNACDAGQ-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO Cc1cnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)nc1 ZINC000979361780 662623246 /nfs/dbraw/zinc/62/32/46/662623246.db2.gz RZTVQOHLWJMACK-GHMZBOCLSA-N 1 1 307.354 -1.024 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979362428 662623294 /nfs/dbraw/zinc/62/32/94/662623294.db2.gz SOZRUDGNPKEBFV-WDEREUQCSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979315903 662623441 /nfs/dbraw/zinc/62/34/41/662623441.db2.gz RECGVDHOORDSIZ-WCBMZHEXSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373785 662623595 /nfs/dbraw/zinc/62/35/95/662623595.db2.gz ISELTRXIXCZIOR-WPRPVWTQSA-N 1 1 322.329 -1.388 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979364716 662623648 /nfs/dbraw/zinc/62/36/48/662623648.db2.gz XBPCFJQGRPKBDK-ONGXEEELSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C1CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354318 662623713 /nfs/dbraw/zinc/62/37/13/662623713.db2.gz DYTFVNMNXZRDBR-WCBMZHEXSA-N 1 1 323.357 -1.801 20 0 DAADMO Cc1ccnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979353323 662623743 /nfs/dbraw/zinc/62/37/43/662623743.db2.gz CYPFTAPBWHWICP-GHMZBOCLSA-N 1 1 307.354 -1.024 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365547 662624235 /nfs/dbraw/zinc/62/42/35/662624235.db2.gz YMODQLUFLRCJJH-KOLCDFICSA-N 1 1 324.385 -1.203 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805119 662624934 /nfs/dbraw/zinc/62/49/34/662624934.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805119 662624936 /nfs/dbraw/zinc/62/49/36/662624936.db2.gz NOIQIXOCNBSMNB-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805122 662625006 /nfs/dbraw/zinc/62/50/06/662625006.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805122 662625009 /nfs/dbraw/zinc/62/50/09/662625009.db2.gz NOIQIXOCNBSMNB-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979524696 662625114 /nfs/dbraw/zinc/62/51/14/662625114.db2.gz ZHNJWXOMYKBHMJ-TUAOUCFPSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000979584752 662626033 /nfs/dbraw/zinc/62/60/33/662626033.db2.gz VCBNWOFJUSRECH-DDHJBXDOSA-N 1 1 323.397 -1.227 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979669295 662626579 /nfs/dbraw/zinc/62/65/79/662626579.db2.gz LJTXYCXBQLHEIY-DCAQKATOSA-N 1 1 322.369 -1.314 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979708913 662626844 /nfs/dbraw/zinc/62/68/44/662626844.db2.gz FDYYKVASDRDZGV-SRVKXCTJSA-N 1 1 321.385 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979708912 662627029 /nfs/dbraw/zinc/62/70/29/662627029.db2.gz FDYYKVASDRDZGV-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000979783625 662627658 /nfs/dbraw/zinc/62/76/58/662627658.db2.gz DNXRMSZRVNERGD-SRVKXCTJSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027835096 662627795 /nfs/dbraw/zinc/62/77/95/662627795.db2.gz REUSODMBBMDNJI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027835096 662627797 /nfs/dbraw/zinc/62/77/97/662627797.db2.gz REUSODMBBMDNJI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nccn3)C[C@@H]2C1 ZINC000979763028 662627832 /nfs/dbraw/zinc/62/78/32/662627832.db2.gz QDQSVOIIXOOTMR-QJPTWQEYSA-N 1 1 306.370 -1.020 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000979777708 662627887 /nfs/dbraw/zinc/62/78/87/662627887.db2.gz XWKNFIVZCZJAKL-KKOKHZNYSA-N 1 1 323.397 -1.370 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)C1 ZINC001027848474 662629274 /nfs/dbraw/zinc/62/92/74/662629274.db2.gz UMRXTXVWSUJVEX-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)C1 ZINC001027848474 662629278 /nfs/dbraw/zinc/62/92/78/662629278.db2.gz UMRXTXVWSUJVEX-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC001027857848 662630940 /nfs/dbraw/zinc/63/09/40/662630940.db2.gz CLLOHPMFTZRGDB-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC001027857848 662630941 /nfs/dbraw/zinc/63/09/41/662630941.db2.gz CLLOHPMFTZRGDB-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC001027860570 662630952 /nfs/dbraw/zinc/63/09/52/662630952.db2.gz JPINTZOSHALKLE-WDEREUQCSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC001027860570 662630953 /nfs/dbraw/zinc/63/09/53/662630953.db2.gz JPINTZOSHALKLE-WDEREUQCSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@H]1COC(=O)N1 ZINC001027861468 662631163 /nfs/dbraw/zinc/63/11/63/662631163.db2.gz XWCPBCOAGYZEQW-GHMZBOCLSA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001027858869 662631203 /nfs/dbraw/zinc/63/12/03/662631203.db2.gz IMXYJMLRCHUKDN-ZJUUUORDSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001027858869 662631205 /nfs/dbraw/zinc/63/12/05/662631205.db2.gz IMXYJMLRCHUKDN-ZJUUUORDSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)nn1 ZINC001027862914 662631691 /nfs/dbraw/zinc/63/16/91/662631691.db2.gz ZNMKVJCKDFIKBD-GXSJLCMTSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)nn1 ZINC001027862914 662631692 /nfs/dbraw/zinc/63/16/92/662631692.db2.gz ZNMKVJCKDFIKBD-GXSJLCMTSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001027867138 662631942 /nfs/dbraw/zinc/63/19/42/662631942.db2.gz MAISKHQTJRJBTJ-VHSXEESVSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001027867138 662631943 /nfs/dbraw/zinc/63/19/43/662631943.db2.gz MAISKHQTJRJBTJ-VHSXEESVSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001010078071 662632483 /nfs/dbraw/zinc/63/24/83/662632483.db2.gz ITJBXHQZFOKJKJ-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000980098984 662632725 /nfs/dbraw/zinc/63/27/25/662632725.db2.gz OCZPSOLBAIJKGT-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)n1 ZINC000980146224 662632970 /nfs/dbraw/zinc/63/29/70/662632970.db2.gz HJZFRMIGKYXSFI-IVZWLZJFSA-N 1 1 307.358 -1.474 20 0 DAADMO Cn1[nH]c(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@H]3C2)nc1=O ZINC000980186118 662633359 /nfs/dbraw/zinc/63/33/59/662633359.db2.gz NODUNCYZLBGXFW-LPEHRKFASA-N 1 1 322.369 -1.690 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980192714 662633518 /nfs/dbraw/zinc/63/35/18/662633518.db2.gz JTYXICKMHNQPBT-SDDRHHMPSA-N 1 1 324.381 -1.253 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980188221 662633574 /nfs/dbraw/zinc/63/35/74/662633574.db2.gz UZKGWORFGZHJAL-DCAQKATOSA-N 1 1 317.411 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C1 ZINC000980167082 662633640 /nfs/dbraw/zinc/63/36/40/662633640.db2.gz RXDWHGKFYDIQJI-HOSYDEDBSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000980165437 662633660 /nfs/dbraw/zinc/63/36/60/662633660.db2.gz MMRHGIIGJKERCQ-SDDRHHMPSA-N 1 1 323.397 -1.286 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010102853 662634180 /nfs/dbraw/zinc/63/41/80/662634180.db2.gz BMGJEAOJQCNNQF-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010102853 662634182 /nfs/dbraw/zinc/63/41/82/662634182.db2.gz BMGJEAOJQCNNQF-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980248261 662634543 /nfs/dbraw/zinc/63/45/43/662634543.db2.gz TVKZDPBVXJAFTG-GRYCIOLGSA-N 1 1 324.381 -1.253 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980203571 662634660 /nfs/dbraw/zinc/63/46/60/662634660.db2.gz IMHBBEJFDZJJEJ-GMTAPVOTSA-N 1 1 321.385 -1.214 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cncn2)C1)[C@H]1CCC(=O)NC1=O ZINC000980340243 662635430 /nfs/dbraw/zinc/63/54/30/662635430.db2.gz ZAMVUJPCOPHWLN-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353824 662635456 /nfs/dbraw/zinc/63/54/56/662635456.db2.gz VFLPDTAVXBAHHJ-UWVGGRQHSA-N 1 1 310.354 -1.458 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353711 662635536 /nfs/dbraw/zinc/63/55/36/662635536.db2.gz SUQGYNAOZCMVKY-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)C[C@H](C)O)C2)c(=O)n1C ZINC000980296689 662635599 /nfs/dbraw/zinc/63/55/99/662635599.db2.gz SWXRJBJLANDDOV-JQWIXIFHSA-N 1 1 311.386 -1.196 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980345355 662635873 /nfs/dbraw/zinc/63/58/73/662635873.db2.gz BCVFCSWMPUEJAP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980345355 662635874 /nfs/dbraw/zinc/63/58/74/662635874.db2.gz BCVFCSWMPUEJAP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000980357792 662636202 /nfs/dbraw/zinc/63/62/02/662636202.db2.gz MOJDJQIKPGQFLO-NSHDSACASA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000980357792 662636203 /nfs/dbraw/zinc/63/62/03/662636203.db2.gz MOJDJQIKPGQFLO-NSHDSACASA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000980355266 662636335 /nfs/dbraw/zinc/63/63/35/662636335.db2.gz PHZMDXVKJOGQAN-DDHJBXDOSA-N 1 1 323.397 -1.370 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)no1 ZINC000980383880 662636422 /nfs/dbraw/zinc/63/64/22/662636422.db2.gz WQUWDQBDGLJELX-SECBINFHSA-N 1 1 309.326 -1.060 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)no1 ZINC000980383880 662636424 /nfs/dbraw/zinc/63/64/24/662636424.db2.gz WQUWDQBDGLJELX-SECBINFHSA-N 1 1 309.326 -1.060 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980444841 662636568 /nfs/dbraw/zinc/63/65/68/662636568.db2.gz BMOFVPVLOYXKHU-NWDGAFQWSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980444841 662636569 /nfs/dbraw/zinc/63/65/69/662636569.db2.gz BMOFVPVLOYXKHU-NWDGAFQWSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483366 662636635 /nfs/dbraw/zinc/63/66/35/662636635.db2.gz OJJZECCOXNDHQG-IUCAKERBSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980385337 662636813 /nfs/dbraw/zinc/63/68/13/662636813.db2.gz CCFHAZLIZTUHLW-RKDXNWHRSA-N 1 1 323.353 -1.494 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)n(C)c1=O ZINC000980499956 662637060 /nfs/dbraw/zinc/63/70/60/662637060.db2.gz BGKHPMBPMSRZRW-MNOVXSKESA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnnn1C ZINC000980553135 662637165 /nfs/dbraw/zinc/63/71/65/662637165.db2.gz LTGGIDZTTGNPFQ-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943085 662637195 /nfs/dbraw/zinc/63/71/95/662637195.db2.gz KBFSZAFULYJDDK-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943085 662637196 /nfs/dbraw/zinc/63/71/96/662637196.db2.gz KBFSZAFULYJDDK-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483367 662637258 /nfs/dbraw/zinc/63/72/58/662637258.db2.gz OJJZECCOXNDHQG-RKDXNWHRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ncn(C)n1 ZINC000980562204 662637478 /nfs/dbraw/zinc/63/74/78/662637478.db2.gz MXCXZLSMVHGRCQ-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000980580828 662637484 /nfs/dbraw/zinc/63/74/84/662637484.db2.gz FACRZJOOJHMACE-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1nccn1 ZINC000980594377 662637548 /nfs/dbraw/zinc/63/75/48/662637548.db2.gz IQGIEDDEXADCLU-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn[nH]n1 ZINC000980636838 662637800 /nfs/dbraw/zinc/63/78/00/662637800.db2.gz FUMNBXWRSFZEDT-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000980677172 662637848 /nfs/dbraw/zinc/63/78/48/662637848.db2.gz IMRJXWPAURKIIO-UHFFFAOYSA-N 1 1 322.373 -1.767 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679443 662637901 /nfs/dbraw/zinc/63/79/01/662637901.db2.gz OCGOKWXDXPLVAR-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679443 662637903 /nfs/dbraw/zinc/63/79/03/662637903.db2.gz OCGOKWXDXPLVAR-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010199560 662637913 /nfs/dbraw/zinc/63/79/13/662637913.db2.gz YSYBLCIKXLLYMI-WDEREUQCSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010199560 662637914 /nfs/dbraw/zinc/63/79/14/662637914.db2.gz YSYBLCIKXLLYMI-WDEREUQCSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000980679638 662637942 /nfs/dbraw/zinc/63/79/42/662637942.db2.gz ULVAIXJPZGAYHE-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000980677163 662637958 /nfs/dbraw/zinc/63/79/58/662637958.db2.gz IBOOYVPUVOISER-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000980677163 662637959 /nfs/dbraw/zinc/63/79/59/662637959.db2.gz IBOOYVPUVOISER-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C(N)=O ZINC000980687096 662638181 /nfs/dbraw/zinc/63/81/81/662638181.db2.gz MPLNTMVNVJCJEE-IUCAKERBSA-N 1 1 310.358 -1.053 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nc[nH]n1 ZINC000980724586 662638245 /nfs/dbraw/zinc/63/82/45/662638245.db2.gz PDRHAMSIGFTKFX-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nc[nH]n1 ZINC000980724587 662638306 /nfs/dbraw/zinc/63/83/06/662638306.db2.gz PDRHAMSIGFTKFX-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C(N)=O ZINC000980687094 662638500 /nfs/dbraw/zinc/63/85/00/662638500.db2.gz MPLNTMVNVJCJEE-BDAKNGLRSA-N 1 1 310.358 -1.053 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cc1nnc[nH]1 ZINC000980758494 662638655 /nfs/dbraw/zinc/63/86/55/662638655.db2.gz BFFWZYRICHRVAR-ZJUUUORDSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cc1nnc[nH]1 ZINC000980758492 662638826 /nfs/dbraw/zinc/63/88/26/662638826.db2.gz BFFWZYRICHRVAR-UWVGGRQHSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cncn1 ZINC000980792312 662639203 /nfs/dbraw/zinc/63/92/03/662639203.db2.gz KZWSPKHDENAIDM-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000980839559 662639490 /nfs/dbraw/zinc/63/94/90/662639490.db2.gz JJJWDRGLJQAVBI-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000980839559 662639491 /nfs/dbraw/zinc/63/94/91/662639491.db2.gz JJJWDRGLJQAVBI-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC000980867121 662639965 /nfs/dbraw/zinc/63/99/65/662639965.db2.gz RXZKKTIEPJTDHV-UHFFFAOYSA-N 1 1 310.354 -1.455 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000980867138 662639979 /nfs/dbraw/zinc/63/99/79/662639979.db2.gz STLPAPKHVDWBIX-UHFFFAOYSA-N 1 1 311.342 -2.052 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000980867138 662639980 /nfs/dbraw/zinc/63/99/80/662639980.db2.gz STLPAPKHVDWBIX-UHFFFAOYSA-N 1 1 311.342 -2.052 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005764 662640793 /nfs/dbraw/zinc/64/07/93/662640793.db2.gz JOUGSAXQQUYTCJ-UHFFFAOYSA-N 1 1 310.358 -1.394 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005764 662640795 /nfs/dbraw/zinc/64/07/95/662640795.db2.gz JOUGSAXQQUYTCJ-UHFFFAOYSA-N 1 1 310.358 -1.394 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001028009968 662640876 /nfs/dbraw/zinc/64/08/76/662640876.db2.gz QSTAWUKRJWLTKI-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001028009968 662640878 /nfs/dbraw/zinc/64/08/78/662640878.db2.gz QSTAWUKRJWLTKI-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981005832 662640883 /nfs/dbraw/zinc/64/08/83/662640883.db2.gz SBSDVNXCCDVJPJ-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981005832 662640885 /nfs/dbraw/zinc/64/08/85/662640885.db2.gz SBSDVNXCCDVJPJ-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001028009965 662640923 /nfs/dbraw/zinc/64/09/23/662640923.db2.gz QSTAWUKRJWLTKI-GHMZBOCLSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001028009965 662640925 /nfs/dbraw/zinc/64/09/25/662640925.db2.gz QSTAWUKRJWLTKI-GHMZBOCLSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981005743 662640953 /nfs/dbraw/zinc/64/09/53/662640953.db2.gz GPABZPTYGPPBDS-JTQLQIEISA-N 1 1 308.342 -1.594 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981005743 662640955 /nfs/dbraw/zinc/64/09/55/662640955.db2.gz GPABZPTYGPPBDS-JTQLQIEISA-N 1 1 308.342 -1.594 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015942 662640964 /nfs/dbraw/zinc/64/09/64/662640964.db2.gz NTRZXVMGILSYTI-LLVKDONJSA-N 1 1 324.385 -1.005 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015942 662640965 /nfs/dbraw/zinc/64/09/65/662640965.db2.gz NTRZXVMGILSYTI-LLVKDONJSA-N 1 1 324.385 -1.005 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981016179 662640967 /nfs/dbraw/zinc/64/09/67/662640967.db2.gz XOVQCNPDZNPYBY-JTQLQIEISA-N 1 1 310.358 -1.218 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981016179 662640968 /nfs/dbraw/zinc/64/09/68/662640968.db2.gz XOVQCNPDZNPYBY-JTQLQIEISA-N 1 1 310.358 -1.218 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981060216 662641369 /nfs/dbraw/zinc/64/13/69/662641369.db2.gz URYTUMZFPBCVNW-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981073305 662641391 /nfs/dbraw/zinc/64/13/91/662641391.db2.gz DRXYXJYNBNBNKH-VHSXEESVSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981073305 662641392 /nfs/dbraw/zinc/64/13/92/662641392.db2.gz DRXYXJYNBNBNKH-VHSXEESVSA-N 1 1 324.337 -1.566 20 0 DAADMO Cn1nncc1C(=O)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981070237 662641404 /nfs/dbraw/zinc/64/14/04/662641404.db2.gz NFAUDVVERBGWCK-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1nncc1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981070237 662641405 /nfs/dbraw/zinc/64/14/05/662641405.db2.gz NFAUDVVERBGWCK-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)nn1 ZINC000981100518 662641641 /nfs/dbraw/zinc/64/16/41/662641641.db2.gz LRJQSRQQJZPKMX-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)nn1 ZINC000981100518 662641643 /nfs/dbraw/zinc/64/16/43/662641643.db2.gz LRJQSRQQJZPKMX-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981172236 662641909 /nfs/dbraw/zinc/64/19/09/662641909.db2.gz XTZJQDBZOWSVIK-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981172236 662641910 /nfs/dbraw/zinc/64/19/10/662641910.db2.gz XTZJQDBZOWSVIK-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981174103 662641924 /nfs/dbraw/zinc/64/19/24/662641924.db2.gz OKERSVMAJIBOBV-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981174103 662641925 /nfs/dbraw/zinc/64/19/25/662641925.db2.gz OKERSVMAJIBOBV-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981171778 662641956 /nfs/dbraw/zinc/64/19/56/662641956.db2.gz QJTDPCWITDSSAE-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981171778 662641957 /nfs/dbraw/zinc/64/19/57/662641957.db2.gz QJTDPCWITDSSAE-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037900 662642063 /nfs/dbraw/zinc/64/20/63/662642063.db2.gz KITZMJZNZDAKGE-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037900 662642065 /nfs/dbraw/zinc/64/20/65/662642065.db2.gz KITZMJZNZDAKGE-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981174872 662642202 /nfs/dbraw/zinc/64/22/02/662642202.db2.gz ZTGUNQJIEOATJU-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981174872 662642203 /nfs/dbraw/zinc/64/22/03/662642203.db2.gz ZTGUNQJIEOATJU-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001028047868 662642308 /nfs/dbraw/zinc/64/23/08/662642308.db2.gz KUBWCTHNFKOIIU-MNOVXSKESA-N 1 1 317.411 -1.111 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001028047869 662642474 /nfs/dbraw/zinc/64/24/74/662642474.db2.gz KUBWCTHNFKOIIU-QWRGUYRKSA-N 1 1 317.411 -1.111 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197923 662642564 /nfs/dbraw/zinc/64/25/64/662642564.db2.gz RVMHZIALUPGFFP-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC000931794652 662642868 /nfs/dbraw/zinc/64/28/68/662642868.db2.gz NVJDOBLAXJKBSN-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC000931794652 662642870 /nfs/dbraw/zinc/64/28/70/662642870.db2.gz NVJDOBLAXJKBSN-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001028073352 662643182 /nfs/dbraw/zinc/64/31/82/662643182.db2.gz SIHXBWNRPGGVTD-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001028073352 662643184 /nfs/dbraw/zinc/64/31/84/662643184.db2.gz SIHXBWNRPGGVTD-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(Cn1nccn1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981250799 662643225 /nfs/dbraw/zinc/64/32/25/662643225.db2.gz KPODIHDRZJYBTL-UHFFFAOYSA-N 1 1 321.385 -1.162 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001028072862 662643337 /nfs/dbraw/zinc/64/33/37/662643337.db2.gz OELSVPMQYWQVNG-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000981283414 662643566 /nfs/dbraw/zinc/64/35/66/662643566.db2.gz VNPQEEYGXVNEST-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000981282187 662643786 /nfs/dbraw/zinc/64/37/86/662643786.db2.gz AEXQXDBSVRGAPH-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076320 662643856 /nfs/dbraw/zinc/64/38/56/662643856.db2.gz LTDSNGGPNQTOEF-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076320 662643858 /nfs/dbraw/zinc/64/38/58/662643858.db2.gz LTDSNGGPNQTOEF-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028080600 662644008 /nfs/dbraw/zinc/64/40/08/662644008.db2.gz ADTHFNJWGLUZSK-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028080600 662644010 /nfs/dbraw/zinc/64/40/10/662644010.db2.gz ADTHFNJWGLUZSK-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)n1 ZINC001028079988 662644153 /nfs/dbraw/zinc/64/41/53/662644153.db2.gz ADNFQOWILNRPGD-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)n1 ZINC001028079988 662644155 /nfs/dbraw/zinc/64/41/55/662644155.db2.gz ADNFQOWILNRPGD-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000981326381 662644534 /nfs/dbraw/zinc/64/45/34/662644534.db2.gz DGHZDLVMNOZWON-CYBMUJFWSA-N 1 1 322.413 -1.167 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981390458 662644688 /nfs/dbraw/zinc/64/46/88/662644688.db2.gz GFADELBGENVECH-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981390458 662644689 /nfs/dbraw/zinc/64/46/89/662644689.db2.gz GFADELBGENVECH-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)CC2 ZINC001028099681 662645324 /nfs/dbraw/zinc/64/53/24/662645324.db2.gz VHGMEWMCUGJTOO-WDEREUQCSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)CC2 ZINC001028099681 662645325 /nfs/dbraw/zinc/64/53/25/662645325.db2.gz VHGMEWMCUGJTOO-WDEREUQCSA-N 1 1 320.397 -1.014 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981539257 662645389 /nfs/dbraw/zinc/64/53/89/662645389.db2.gz NWPRNGOPBWIHAC-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981539257 662645391 /nfs/dbraw/zinc/64/53/91/662645391.db2.gz NWPRNGOPBWIHAC-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981612257 662645792 /nfs/dbraw/zinc/64/57/92/662645792.db2.gz PVLXFLCIRJIGCS-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CCC[N@H+](CCO)CC1 ZINC000981626104 662645801 /nfs/dbraw/zinc/64/58/01/662645801.db2.gz HUSIOQRXKGCZNC-UHFFFAOYSA-N 1 1 319.427 -1.061 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001028111445 662646063 /nfs/dbraw/zinc/64/60/63/662646063.db2.gz XSZFDPONERSVAV-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001028111445 662646064 /nfs/dbraw/zinc/64/60/64/662646064.db2.gz XSZFDPONERSVAV-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981686585 662646121 /nfs/dbraw/zinc/64/61/21/662646121.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981686585 662646123 /nfs/dbraw/zinc/64/61/23/662646123.db2.gz UKBDBCZQGYUKHP-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1C[NH+](CCCO)C1 ZINC000957403854 662646338 /nfs/dbraw/zinc/64/63/38/662646338.db2.gz BPCMZMFZADWBMV-NSHDSACASA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000981672777 662646354 /nfs/dbraw/zinc/64/63/54/662646354.db2.gz BFAYXOYLJFBKPV-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001028111444 662646377 /nfs/dbraw/zinc/64/63/77/662646377.db2.gz XSZFDPONERSVAV-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001028111444 662646378 /nfs/dbraw/zinc/64/63/78/662646378.db2.gz XSZFDPONERSVAV-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981750213 662646513 /nfs/dbraw/zinc/64/65/13/662646513.db2.gz UBBFMBQCVUNPET-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981750213 662646516 /nfs/dbraw/zinc/64/65/16/662646516.db2.gz UBBFMBQCVUNPET-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000981710266 662646570 /nfs/dbraw/zinc/64/65/70/662646570.db2.gz UGKGQLNPLXRGIU-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000981710266 662646572 /nfs/dbraw/zinc/64/65/72/662646572.db2.gz UGKGQLNPLXRGIU-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750643 662646675 /nfs/dbraw/zinc/64/66/75/662646675.db2.gz FPDZTLRFOWVOGH-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750643 662646676 /nfs/dbraw/zinc/64/66/76/662646676.db2.gz FPDZTLRFOWVOGH-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725189 662646678 /nfs/dbraw/zinc/64/66/78/662646678.db2.gz LXHBOSCQHURIGS-UHFFFAOYSA-N 1 1 308.342 -1.607 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725189 662646679 /nfs/dbraw/zinc/64/66/79/662646679.db2.gz LXHBOSCQHURIGS-UHFFFAOYSA-N 1 1 308.342 -1.607 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1 ZINC000981734917 662646686 /nfs/dbraw/zinc/64/66/86/662646686.db2.gz MTSOKXWPKOEOQL-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1 ZINC000981734917 662646687 /nfs/dbraw/zinc/64/66/87/662646687.db2.gz MTSOKXWPKOEOQL-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000981710267 662646805 /nfs/dbraw/zinc/64/68/05/662646805.db2.gz UGKGQLNPLXRGIU-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000981710267 662646806 /nfs/dbraw/zinc/64/68/06/662646806.db2.gz UGKGQLNPLXRGIU-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742253 662646809 /nfs/dbraw/zinc/64/68/09/662646809.db2.gz JMRHOVZULYRXBC-VHSXEESVSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742253 662646811 /nfs/dbraw/zinc/64/68/11/662646811.db2.gz JMRHOVZULYRXBC-VHSXEESVSA-N 1 1 310.354 -1.107 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981720168 662646847 /nfs/dbraw/zinc/64/68/47/662646847.db2.gz PDOFVDDOCUPLAM-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981720168 662646848 /nfs/dbraw/zinc/64/68/48/662646848.db2.gz PDOFVDDOCUPLAM-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@@H+]([C@@H]3CCCN(C)C3=O)CC2)n1 ZINC000981773446 662647116 /nfs/dbraw/zinc/64/71/16/662647116.db2.gz HEDSNMYYHPMPBV-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@H+]([C@@H]3CCCN(C)C3=O)CC2)n1 ZINC000981773446 662647117 /nfs/dbraw/zinc/64/71/17/662647117.db2.gz HEDSNMYYHPMPBV-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981749422 662647144 /nfs/dbraw/zinc/64/71/44/662647144.db2.gz AQOMASADCFJHPC-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981749422 662647146 /nfs/dbraw/zinc/64/71/46/662647146.db2.gz AQOMASADCFJHPC-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981816224 662647462 /nfs/dbraw/zinc/64/74/62/662647462.db2.gz ROLBMVKXMRSAOD-UHFFFAOYSA-N 1 1 311.382 -1.238 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001028129648 662647552 /nfs/dbraw/zinc/64/75/52/662647552.db2.gz SUAFBSFBKSHHJK-QMMMGPOBSA-N 1 1 317.371 -1.756 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)C1=O ZINC000981790335 662647628 /nfs/dbraw/zinc/64/76/28/662647628.db2.gz RSHMUKJLSVVUAB-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)C1=O ZINC000981790335 662647630 /nfs/dbraw/zinc/64/76/30/662647630.db2.gz RSHMUKJLSVVUAB-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981770735 662647720 /nfs/dbraw/zinc/64/77/20/662647720.db2.gz CXMVIUVWZWXEEV-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000981825240 662647726 /nfs/dbraw/zinc/64/77/26/662647726.db2.gz AIVVYBXBLUAUHR-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000981825240 662647727 /nfs/dbraw/zinc/64/77/27/662647727.db2.gz AIVVYBXBLUAUHR-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000981810496 662647729 /nfs/dbraw/zinc/64/77/29/662647729.db2.gz SJHHXIYJJLHNEY-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000981810496 662647730 /nfs/dbraw/zinc/64/77/30/662647730.db2.gz SJHHXIYJJLHNEY-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981850581 662648068 /nfs/dbraw/zinc/64/80/68/662648068.db2.gz MLEXTLVNQOOFTF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981850581 662648070 /nfs/dbraw/zinc/64/80/70/662648070.db2.gz MLEXTLVNQOOFTF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852777 662648298 /nfs/dbraw/zinc/64/82/98/662648298.db2.gz GQZFVAGFNHCRIF-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852777 662648300 /nfs/dbraw/zinc/64/83/00/662648300.db2.gz GQZFVAGFNHCRIF-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001028139832 662648379 /nfs/dbraw/zinc/64/83/79/662648379.db2.gz CXRUUEARVLKTTI-TUAOUCFPSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001028139832 662648384 /nfs/dbraw/zinc/64/83/84/662648384.db2.gz CXRUUEARVLKTTI-TUAOUCFPSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981853386 662648473 /nfs/dbraw/zinc/64/84/73/662648473.db2.gz ORCIUGJWPJTIDM-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981853469 662648476 /nfs/dbraw/zinc/64/84/76/662648476.db2.gz QLJOLRJEJFGHRN-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981853469 662648477 /nfs/dbraw/zinc/64/84/77/662648477.db2.gz QLJOLRJEJFGHRN-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981850910 662648517 /nfs/dbraw/zinc/64/85/17/662648517.db2.gz WGJPNKROHXPKPG-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981850910 662648519 /nfs/dbraw/zinc/64/85/19/662648519.db2.gz WGJPNKROHXPKPG-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852776 662648655 /nfs/dbraw/zinc/64/86/55/662648655.db2.gz GQZFVAGFNHCRIF-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852776 662648658 /nfs/dbraw/zinc/64/86/58/662648658.db2.gz GQZFVAGFNHCRIF-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)CC1 ZINC000981865107 662648885 /nfs/dbraw/zinc/64/88/85/662648885.db2.gz OXHXVYIUXUGHIQ-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)CC1 ZINC000981865107 662648888 /nfs/dbraw/zinc/64/88/88/662648888.db2.gz OXHXVYIUXUGHIQ-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)c1=O ZINC000981861163 662649059 /nfs/dbraw/zinc/64/90/59/662649059.db2.gz DYCYAPGBFYQNDG-UHFFFAOYSA-N 1 1 322.369 -2.009 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)c1=O ZINC000981861163 662649060 /nfs/dbraw/zinc/64/90/60/662649060.db2.gz DYCYAPGBFYQNDG-UHFFFAOYSA-N 1 1 322.369 -2.009 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000981870927 662649180 /nfs/dbraw/zinc/64/91/80/662649180.db2.gz HQGFMZODSWHAIW-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000981870927 662649183 /nfs/dbraw/zinc/64/91/83/662649183.db2.gz HQGFMZODSWHAIW-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933931 662649366 /nfs/dbraw/zinc/64/93/66/662649366.db2.gz ZMTYQPJUXOTDAK-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CNC(=O)C1 ZINC000981912328 662649554 /nfs/dbraw/zinc/64/95/54/662649554.db2.gz FAGKUSCQDAAVRB-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CNC(=O)C1 ZINC000981912328 662649556 /nfs/dbraw/zinc/64/95/56/662649556.db2.gz FAGKUSCQDAAVRB-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981876990 662649669 /nfs/dbraw/zinc/64/96/69/662649669.db2.gz JCWFENHPYAIKPQ-UHFFFAOYSA-N 1 1 322.365 -1.134 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981935805 662650003 /nfs/dbraw/zinc/65/00/03/662650003.db2.gz SXQCVAJLDGYFBC-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981935805 662650004 /nfs/dbraw/zinc/65/00/04/662650004.db2.gz SXQCVAJLDGYFBC-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934412 662650036 /nfs/dbraw/zinc/65/00/36/662650036.db2.gz CZDYQNMSQPXUBM-WDEREUQCSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934412 662650037 /nfs/dbraw/zinc/65/00/37/662650037.db2.gz CZDYQNMSQPXUBM-WDEREUQCSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCNC(=O)C1 ZINC001038158775 662650344 /nfs/dbraw/zinc/65/03/44/662650344.db2.gz UQEWBGLIFBHVFS-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCNC(=O)C1 ZINC001038158775 662650346 /nfs/dbraw/zinc/65/03/46/662650346.db2.gz UQEWBGLIFBHVFS-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCNC(=O)C1 ZINC001038158780 662650581 /nfs/dbraw/zinc/65/05/81/662650581.db2.gz UQEWBGLIFBHVFS-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCNC(=O)C1 ZINC001038158780 662650582 /nfs/dbraw/zinc/65/05/82/662650582.db2.gz UQEWBGLIFBHVFS-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CCC[N@@H+]([C@H]2CCNC2=O)C3)n1 ZINC000981946764 662650641 /nfs/dbraw/zinc/65/06/41/662650641.db2.gz KHRWNDHBZMRCHJ-JTQLQIEISA-N 1 1 319.369 -1.363 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CCC[N@H+]([C@H]2CCNC2=O)C3)n1 ZINC000981946764 662650643 /nfs/dbraw/zinc/65/06/43/662650643.db2.gz KHRWNDHBZMRCHJ-JTQLQIEISA-N 1 1 319.369 -1.363 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981972588 662650690 /nfs/dbraw/zinc/65/06/90/662650690.db2.gz WENUCGJUKFIQNC-VWYCJHECSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981972588 662650693 /nfs/dbraw/zinc/65/06/93/662650693.db2.gz WENUCGJUKFIQNC-VWYCJHECSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975388 662650976 /nfs/dbraw/zinc/65/09/76/662650976.db2.gz QKIZTTJQRZMMSN-ZJUUUORDSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975388 662650977 /nfs/dbraw/zinc/65/09/77/662650977.db2.gz QKIZTTJQRZMMSN-ZJUUUORDSA-N 1 1 309.370 -1.534 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975645 662651005 /nfs/dbraw/zinc/65/10/05/662651005.db2.gz ZUBXGRZOHSAMSH-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196513 662651245 /nfs/dbraw/zinc/65/12/45/662651245.db2.gz MMMLIWOAHBCQES-PUUHTONNSA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196513 662651248 /nfs/dbraw/zinc/65/12/48/662651248.db2.gz MMMLIWOAHBCQES-PUUHTONNSA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)O1 ZINC000982009239 662651437 /nfs/dbraw/zinc/65/14/37/662651437.db2.gz KDTVPFVIMKOJHA-NWDGAFQWSA-N 1 1 311.382 -1.064 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202084 662651571 /nfs/dbraw/zinc/65/15/71/662651571.db2.gz QCUCVXNIXHJDRK-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202084 662651572 /nfs/dbraw/zinc/65/15/72/662651572.db2.gz QCUCVXNIXHJDRK-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898377 662651808 /nfs/dbraw/zinc/65/18/08/662651808.db2.gz ORRUPWHXFQIQHE-CMPLNLGQSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898377 662651810 /nfs/dbraw/zinc/65/18/10/662651810.db2.gz ORRUPWHXFQIQHE-CMPLNLGQSA-N 1 1 308.338 -1.071 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202081 662651825 /nfs/dbraw/zinc/65/18/25/662651825.db2.gz QCUCVXNIXHJDRK-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202081 662651827 /nfs/dbraw/zinc/65/18/27/662651827.db2.gz QCUCVXNIXHJDRK-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042844 662652029 /nfs/dbraw/zinc/65/20/29/662652029.db2.gz UIZDIPLWSABVEQ-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073063 662652031 /nfs/dbraw/zinc/65/20/31/662652031.db2.gz DFPAJSGRPTYETE-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073063 662652032 /nfs/dbraw/zinc/65/20/32/662652032.db2.gz DFPAJSGRPTYETE-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001028212057 662652084 /nfs/dbraw/zinc/65/20/84/662652084.db2.gz BGTAQRHWOHXROZ-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982042619 662652111 /nfs/dbraw/zinc/65/21/11/662652111.db2.gz PGXDNHORRVFDBI-JTQLQIEISA-N 1 1 310.354 -1.499 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCC[N@@H+](CCO)CC2)C1=O ZINC000982071813 662652155 /nfs/dbraw/zinc/65/21/55/662652155.db2.gz KIZLZSJIFYAPJW-UHFFFAOYSA-N 1 1 312.326 -2.066 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000982070906 662652363 /nfs/dbraw/zinc/65/23/63/662652363.db2.gz ZZZDLIJTDBSVLS-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083567 662652411 /nfs/dbraw/zinc/65/24/11/662652411.db2.gz PUCRYYQEUZFITC-UHFFFAOYSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083567 662652412 /nfs/dbraw/zinc/65/24/12/662652412.db2.gz PUCRYYQEUZFITC-UHFFFAOYSA-N 1 1 307.358 -1.527 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)c(=O)n1C ZINC000982135887 662652652 /nfs/dbraw/zinc/65/26/52/662652652.db2.gz ULJKSQGHEDCKJX-UHFFFAOYSA-N 1 1 323.397 -1.193 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982103828 662652694 /nfs/dbraw/zinc/65/26/94/662652694.db2.gz AYHYHJFSLBBCTA-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141801 662652708 /nfs/dbraw/zinc/65/27/08/662652708.db2.gz SHMXWVXEMCYLDS-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141801 662652709 /nfs/dbraw/zinc/65/27/09/662652709.db2.gz SHMXWVXEMCYLDS-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982154065 662652824 /nfs/dbraw/zinc/65/28/24/662652824.db2.gz QDACKBNIQVSCIF-LLVKDONJSA-N 1 1 317.411 -1.405 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)n(C)c1=O ZINC000982167078 662652985 /nfs/dbraw/zinc/65/29/85/662652985.db2.gz ZSCZZQBKOUBINE-UHFFFAOYSA-N 1 1 321.381 -1.253 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)n(C)c1=O ZINC000982167078 662652988 /nfs/dbraw/zinc/65/29/88/662652988.db2.gz ZSCZZQBKOUBINE-UHFFFAOYSA-N 1 1 321.381 -1.253 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000982174604 662653107 /nfs/dbraw/zinc/65/31/07/662653107.db2.gz VPAFOSJSVGAXSO-NSHDSACASA-N 1 1 323.397 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000982174604 662653109 /nfs/dbraw/zinc/65/31/09/662653109.db2.gz VPAFOSJSVGAXSO-NSHDSACASA-N 1 1 323.397 -1.061 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000982271640 662654139 /nfs/dbraw/zinc/65/41/39/662654139.db2.gz UUVKILGLRXYWLR-UHFFFAOYSA-N 1 1 307.358 -1.022 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000982271640 662654142 /nfs/dbraw/zinc/65/41/42/662654142.db2.gz UUVKILGLRXYWLR-UHFFFAOYSA-N 1 1 307.358 -1.022 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@]3(C)C[N@@H+](CCO)C[C@]3(C)C2)c1=O ZINC000982321331 662655631 /nfs/dbraw/zinc/65/56/31/662655631.db2.gz KSDSXNUQFVGJJD-GASCZTMLSA-N 1 1 323.397 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001028254363 662655706 /nfs/dbraw/zinc/65/57/06/662655706.db2.gz SSXXOKROCLTFHU-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001028254363 662655708 /nfs/dbraw/zinc/65/57/08/662655708.db2.gz SSXXOKROCLTFHU-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001028262387 662656086 /nfs/dbraw/zinc/65/60/86/662656086.db2.gz SOUJIEWKGMGNIV-SECBINFHSA-N 1 1 306.326 -1.396 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261544 662656181 /nfs/dbraw/zinc/65/61/81/662656181.db2.gz ZWRYZSIJKBGPPN-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)nnn1C ZINC001010425242 662657962 /nfs/dbraw/zinc/65/79/62/662657962.db2.gz YBAVSCBSPFBCBT-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)nnn1C ZINC001010425242 662657964 /nfs/dbraw/zinc/65/79/64/662657964.db2.gz YBAVSCBSPFBCBT-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO Cn1ncnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426361 662658054 /nfs/dbraw/zinc/65/80/54/662658054.db2.gz HLECPLZYOFKYFZ-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426361 662658055 /nfs/dbraw/zinc/65/80/55/662658055.db2.gz HLECPLZYOFKYFZ-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000982423564 662658554 /nfs/dbraw/zinc/65/85/54/662658554.db2.gz YHUITGLQXJMRPR-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452107 662659749 /nfs/dbraw/zinc/65/97/49/662659749.db2.gz HVKJRRODQXOCQV-OKILXGFUSA-N 1 1 321.385 -1.260 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452107 662659751 /nfs/dbraw/zinc/65/97/51/662659751.db2.gz HVKJRRODQXOCQV-OKILXGFUSA-N 1 1 321.385 -1.260 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946364 662660789 /nfs/dbraw/zinc/66/07/89/662660789.db2.gz CENWDJAAHMAOEU-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946364 662660792 /nfs/dbraw/zinc/66/07/92/662660792.db2.gz CENWDJAAHMAOEU-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946363 662660825 /nfs/dbraw/zinc/66/08/25/662660825.db2.gz CENWDJAAHMAOEU-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946363 662660829 /nfs/dbraw/zinc/66/08/29/662660829.db2.gz CENWDJAAHMAOEU-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301844 662665056 /nfs/dbraw/zinc/66/50/56/662665056.db2.gz JUCXLUIMIZIEEU-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301844 662665057 /nfs/dbraw/zinc/66/50/57/662665057.db2.gz JUCXLUIMIZIEEU-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)ccc1=O ZINC001028302597 662664869 /nfs/dbraw/zinc/66/48/69/662664869.db2.gz UFZYHQORIJDPFY-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)ccc1=O ZINC001028302597 662664873 /nfs/dbraw/zinc/66/48/73/662664873.db2.gz UFZYHQORIJDPFY-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301843 662665123 /nfs/dbraw/zinc/66/51/23/662665123.db2.gz JUCXLUIMIZIEEU-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301843 662665125 /nfs/dbraw/zinc/66/51/25/662665125.db2.gz JUCXLUIMIZIEEU-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)ccc1=O ZINC001028302596 662665300 /nfs/dbraw/zinc/66/53/00/662665300.db2.gz UFZYHQORIJDPFY-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)ccc1=O ZINC001028302596 662665302 /nfs/dbraw/zinc/66/53/02/662665302.db2.gz UFZYHQORIJDPFY-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001028327186 662667431 /nfs/dbraw/zinc/66/74/31/662667431.db2.gz WOAJMTRYNZGSDD-NEPJUHHUSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001028327186 662667433 /nfs/dbraw/zinc/66/74/33/662667433.db2.gz WOAJMTRYNZGSDD-NEPJUHHUSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326099 662667592 /nfs/dbraw/zinc/66/75/92/662667592.db2.gz PPWZCOLHCPJLAT-RKDXNWHRSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326099 662667594 /nfs/dbraw/zinc/66/75/94/662667594.db2.gz PPWZCOLHCPJLAT-RKDXNWHRSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)nn1 ZINC001028334761 662668637 /nfs/dbraw/zinc/66/86/37/662668637.db2.gz HUHFGEWOFMKSMT-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335267 662668704 /nfs/dbraw/zinc/66/87/04/662668704.db2.gz RAZZQEBRJRYAAA-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334660 662668831 /nfs/dbraw/zinc/66/88/31/662668831.db2.gz FUEHNJOGVFJCLG-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335407 662668869 /nfs/dbraw/zinc/66/88/69/662668869.db2.gz UUGJSQJYMNELRP-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336650 662669271 /nfs/dbraw/zinc/66/92/71/662669271.db2.gz AQCOVJBJAOYNIU-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336650 662669272 /nfs/dbraw/zinc/66/92/72/662669272.db2.gz AQCOVJBJAOYNIU-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336649 662669282 /nfs/dbraw/zinc/66/92/82/662669282.db2.gz AQCOVJBJAOYNIU-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336649 662669283 /nfs/dbraw/zinc/66/92/83/662669283.db2.gz AQCOVJBJAOYNIU-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO Cn1[n-]c(CN2CC[C@@H](CNC(=O)C3=COCCO3)C2)nc1=O ZINC001028377325 662670557 /nfs/dbraw/zinc/67/05/57/662670557.db2.gz FBTRLUQDJQHQTA-JTQLQIEISA-N 1 1 323.353 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982497282 662670986 /nfs/dbraw/zinc/67/09/86/662670986.db2.gz QJGMYRZRSLJRFZ-WVGQAWGZSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982497275 662671012 /nfs/dbraw/zinc/67/10/12/662671012.db2.gz QJGMYRZRSLJRFZ-FCIDVOKBSA-N 1 1 323.397 -1.288 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000982504453 662671171 /nfs/dbraw/zinc/67/11/71/662671171.db2.gz VYZYPPNVDZARBF-OKILXGFUSA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@]2(C)CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000982504453 662671174 /nfs/dbraw/zinc/67/11/74/662671174.db2.gz VYZYPPNVDZARBF-OKILXGFUSA-N 1 1 306.370 -1.029 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000982504410 662671485 /nfs/dbraw/zinc/67/14/85/662671485.db2.gz VFADPJVFDIKLMF-ZWZTZDBGSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001028449112 662671748 /nfs/dbraw/zinc/67/17/48/662671748.db2.gz VDPDFSCOHDAAPN-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1nnc(CN2CC[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001028466244 662672308 /nfs/dbraw/zinc/67/23/08/662672308.db2.gz OVYDZKDFUOZHGR-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CC[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001028466244 662672311 /nfs/dbraw/zinc/67/23/11/662672311.db2.gz OVYDZKDFUOZHGR-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028466104 662672595 /nfs/dbraw/zinc/67/25/95/662672595.db2.gz OMFAYZPLEFIOCD-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028466104 662672596 /nfs/dbraw/zinc/67/25/96/662672596.db2.gz OMFAYZPLEFIOCD-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028455075 662672681 /nfs/dbraw/zinc/67/26/81/662672681.db2.gz PTPQEAWDJYKWOF-UWVGGRQHSA-N 1 1 304.354 -1.001 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028490010 662672816 /nfs/dbraw/zinc/67/28/16/662672816.db2.gz HFEHGGSXHWQVTI-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028489844 662672884 /nfs/dbraw/zinc/67/28/84/662672884.db2.gz CDPTYGVYYFIQGI-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028490011 662673113 /nfs/dbraw/zinc/67/31/13/662673113.db2.gz HFEHGGSXHWQVTI-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001028496976 662673243 /nfs/dbraw/zinc/67/32/43/662673243.db2.gz NZHUBKPVGJBQEK-KOLCDFICSA-N 1 1 306.370 -1.058 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894135844 662673580 /nfs/dbraw/zinc/67/35/80/662673580.db2.gz XGWPTBYMKNXFPE-VIFPVBQESA-N 1 1 322.369 -1.537 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982558336 662673670 /nfs/dbraw/zinc/67/36/70/662673670.db2.gz YKIGAMKJPJEINI-MMDVMMEASA-N 1 1 308.382 -1.237 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982558336 662673672 /nfs/dbraw/zinc/67/36/72/662673672.db2.gz YKIGAMKJPJEINI-MMDVMMEASA-N 1 1 308.382 -1.237 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028512979 662674546 /nfs/dbraw/zinc/67/45/46/662674546.db2.gz LEVFQBRMLNUXNL-LLVKDONJSA-N 1 1 321.385 -1.108 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577160 662674554 /nfs/dbraw/zinc/67/45/54/662674554.db2.gz GHXFSSDGTPCTTP-ZYHUDNBSSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577160 662674556 /nfs/dbraw/zinc/67/45/56/662674556.db2.gz GHXFSSDGTPCTTP-ZYHUDNBSSA-N 1 1 323.353 -1.022 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001028508171 662674636 /nfs/dbraw/zinc/67/46/36/662674636.db2.gz MOUIUQUBPUEMSQ-VHSXEESVSA-N 1 1 308.338 -1.082 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000982659812 662676773 /nfs/dbraw/zinc/67/67/73/662676773.db2.gz OSGVIBZKOUCDMF-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000982659812 662676774 /nfs/dbraw/zinc/67/67/74/662676774.db2.gz OSGVIBZKOUCDMF-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982682194 662676944 /nfs/dbraw/zinc/67/69/44/662676944.db2.gz CVVLDTSIPYIEEB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982682194 662676948 /nfs/dbraw/zinc/67/69/48/662676948.db2.gz CVVLDTSIPYIEEB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000982793133 662679789 /nfs/dbraw/zinc/67/97/89/662679789.db2.gz UJZOEURYIZPYCW-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000982793131 662679836 /nfs/dbraw/zinc/67/98/36/662679836.db2.gz UJZOEURYIZPYCW-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028601919 662681014 /nfs/dbraw/zinc/68/10/14/662681014.db2.gz AEFOJQQWYYIEEE-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055322 662681191 /nfs/dbraw/zinc/68/11/91/662681191.db2.gz CTUYPKYQDSQFBD-QWRGUYRKSA-N 1 1 321.385 -1.308 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028601916 662681361 /nfs/dbraw/zinc/68/13/61/662681361.db2.gz AEFOJQQWYYIEEE-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001028630717 662681676 /nfs/dbraw/zinc/68/16/76/662681676.db2.gz QVZDXGPVTVKEPX-JTQLQIEISA-N 1 1 307.354 -1.050 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001028630717 662681677 /nfs/dbraw/zinc/68/16/77/662681677.db2.gz QVZDXGPVTVKEPX-JTQLQIEISA-N 1 1 307.354 -1.050 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640988 662682182 /nfs/dbraw/zinc/68/21/82/662682182.db2.gz ZJMYZSCANRMWNS-ZJUUUORDSA-N 1 1 322.369 -1.531 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]n1 ZINC001028653996 662682944 /nfs/dbraw/zinc/68/29/44/662682944.db2.gz WKYVIWYXKGONNO-SCZZXKLOSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653996 662682949 /nfs/dbraw/zinc/68/29/49/662682949.db2.gz WKYVIWYXKGONNO-SCZZXKLOSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653996 662682952 /nfs/dbraw/zinc/68/29/52/662682952.db2.gz WKYVIWYXKGONNO-SCZZXKLOSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]n1 ZINC001028653998 662683116 /nfs/dbraw/zinc/68/31/16/662683116.db2.gz WKYVIWYXKGONNO-WCBMZHEXSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653998 662683119 /nfs/dbraw/zinc/68/31/19/662683119.db2.gz WKYVIWYXKGONNO-WCBMZHEXSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653998 662683122 /nfs/dbraw/zinc/68/31/22/662683122.db2.gz WKYVIWYXKGONNO-WCBMZHEXSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001028652904 662683275 /nfs/dbraw/zinc/68/32/75/662683275.db2.gz HDSMVXHTXKCJIL-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001028652904 662683280 /nfs/dbraw/zinc/68/32/80/662683280.db2.gz HDSMVXHTXKCJIL-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001028652904 662683282 /nfs/dbraw/zinc/68/32/82/662683282.db2.gz HDSMVXHTXKCJIL-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]n1 ZINC001028653999 662683304 /nfs/dbraw/zinc/68/33/04/662683304.db2.gz WKYVIWYXKGONNO-WPRPVWTQSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653999 662683305 /nfs/dbraw/zinc/68/33/05/662683305.db2.gz WKYVIWYXKGONNO-WPRPVWTQSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653999 662683306 /nfs/dbraw/zinc/68/33/06/662683306.db2.gz WKYVIWYXKGONNO-WPRPVWTQSA-N 1 1 306.326 -1.338 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001028686242 662684772 /nfs/dbraw/zinc/68/47/72/662684772.db2.gz JYLYZDJWKQHRFR-JTQLQIEISA-N 1 1 317.353 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116185 662685616 /nfs/dbraw/zinc/68/56/16/662685616.db2.gz UQEBPAVJWPIFMP-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116185 662685617 /nfs/dbraw/zinc/68/56/17/662685617.db2.gz UQEBPAVJWPIFMP-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000983136154 662685950 /nfs/dbraw/zinc/68/59/50/662685950.db2.gz VTFIBFGJVSSDJY-GHMZBOCLSA-N 1 1 321.385 -1.260 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001028707147 662686321 /nfs/dbraw/zinc/68/63/21/662686321.db2.gz JYDYWBBHCNYMPX-UWVGGRQHSA-N 1 1 319.383 -2.670 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001028703577 662686346 /nfs/dbraw/zinc/68/63/46/662686346.db2.gz WPBYIBLLPGKZQX-CMPLNLGQSA-N 1 1 319.365 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028701047 662686361 /nfs/dbraw/zinc/68/63/61/662686361.db2.gz SXAQJEGTBNLCNQ-JTQLQIEISA-N 1 1 307.354 -1.422 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702639 662686495 /nfs/dbraw/zinc/68/64/95/662686495.db2.gz LKBYXSUTYDNXKP-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707179 662686506 /nfs/dbraw/zinc/68/65/06/662686506.db2.gz LBNCZPSETXZMQW-MNOVXSKESA-N 1 1 317.411 -1.254 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707135 662686646 /nfs/dbraw/zinc/68/66/46/662686646.db2.gz JSSYODKQKFSLKM-KOLCDFICSA-N 1 1 320.353 -1.711 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206719 662688364 /nfs/dbraw/zinc/68/83/64/662688364.db2.gz TUFUVGRXFQPGDW-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206719 662688365 /nfs/dbraw/zinc/68/83/65/662688365.db2.gz TUFUVGRXFQPGDW-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001028740154 662689107 /nfs/dbraw/zinc/68/91/07/662689107.db2.gz OLFQSRVVOBZUMH-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001028737555 662689143 /nfs/dbraw/zinc/68/91/43/662689143.db2.gz ZKCZEJGCIGWIFW-RYUDHWBXSA-N 1 1 308.382 -1.207 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001028739270 662689250 /nfs/dbraw/zinc/68/92/50/662689250.db2.gz DVYSULXKUVTJCX-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC1=O ZINC001028736865 662689326 /nfs/dbraw/zinc/68/93/26/662689326.db2.gz FOSRVUBKXAYTMF-VXGBXAGGSA-N 1 1 306.370 -1.148 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001028740705 662689385 /nfs/dbraw/zinc/68/93/85/662689385.db2.gz RXIJKQNOPIWUES-NWDGAFQWSA-N 1 1 321.385 -1.260 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028740890 662689566 /nfs/dbraw/zinc/68/95/66/662689566.db2.gz UAIZDCPIDAPDGK-QWRGUYRKSA-N 1 1 311.386 -1.464 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC1=O ZINC001028736863 662689651 /nfs/dbraw/zinc/68/96/51/662689651.db2.gz FOSRVUBKXAYTMF-NWDGAFQWSA-N 1 1 306.370 -1.148 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001028773270 662690573 /nfs/dbraw/zinc/69/05/73/662690573.db2.gz KMRMDEJGWRVVIX-WDEREUQCSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001028772341 662690628 /nfs/dbraw/zinc/69/06/28/662690628.db2.gz CGNUMHZSAJNVGA-WDEREUQCSA-N 1 1 307.358 -1.602 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028772572 662690644 /nfs/dbraw/zinc/69/06/44/662690644.db2.gz DASPRFGCZXEGPM-GXSJLCMTSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028772572 662690645 /nfs/dbraw/zinc/69/06/45/662690645.db2.gz DASPRFGCZXEGPM-GXSJLCMTSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772374 662690647 /nfs/dbraw/zinc/69/06/47/662690647.db2.gz CRPDVHVFSYDVAA-GXSJLCMTSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772374 662690648 /nfs/dbraw/zinc/69/06/48/662690648.db2.gz CRPDVHVFSYDVAA-GXSJLCMTSA-N 1 1 307.358 -1.565 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001028766692 662690659 /nfs/dbraw/zinc/69/06/59/662690659.db2.gz XYHRRJZFRYMXGS-MWLCHTKSSA-N 1 1 305.338 -1.290 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)CC2 ZINC001028764507 662690690 /nfs/dbraw/zinc/69/06/90/662690690.db2.gz HYYPQMKCSWMRFI-GHMZBOCLSA-N 1 1 320.397 -1.157 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001028766660 662690844 /nfs/dbraw/zinc/69/08/44/662690844.db2.gz XYHRRJZFRYMXGS-KOLCDFICSA-N 1 1 305.338 -1.290 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001028774019 662691304 /nfs/dbraw/zinc/69/13/04/662691304.db2.gz QZTCQJDADADGIG-ONGXEEELSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001028774100 662691370 /nfs/dbraw/zinc/69/13/70/662691370.db2.gz SIPAVYSYNHUMBP-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001028774103 662691574 /nfs/dbraw/zinc/69/15/74/662691574.db2.gz SIPAVYSYNHUMBP-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924980659 662691666 /nfs/dbraw/zinc/69/16/66/662691666.db2.gz JSZCLKJDTHPMRQ-VHSXEESVSA-N 1 1 308.404 -2.094 20 0 DAADMO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001028773996 662691721 /nfs/dbraw/zinc/69/17/21/662691721.db2.gz QQHAHSIGDDLYQN-NXEZZACHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001028773996 662691727 /nfs/dbraw/zinc/69/17/27/662691727.db2.gz QQHAHSIGDDLYQN-NXEZZACHSA-N 1 1 308.342 -1.002 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028774507 662691924 /nfs/dbraw/zinc/69/19/24/662691924.db2.gz XPMOMIJEZJQYRJ-PWSUYJOCSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028774507 662691925 /nfs/dbraw/zinc/69/19/25/662691925.db2.gz XPMOMIJEZJQYRJ-PWSUYJOCSA-N 1 1 321.385 -1.083 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028805833 662692067 /nfs/dbraw/zinc/69/20/67/662692067.db2.gz UFHNKRFVIFAJOK-UTUOFQBUSA-N 1 1 306.370 -1.162 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028816366 662692083 /nfs/dbraw/zinc/69/20/83/662692083.db2.gz CJXKSYVGZPXLEL-GHMZBOCLSA-N 1 1 321.385 -1.451 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001028803742 662692118 /nfs/dbraw/zinc/69/21/18/662692118.db2.gz GCALBXFCVUKLSS-VIFPVBQESA-N 1 1 307.354 -1.089 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028804694 662692161 /nfs/dbraw/zinc/69/21/61/662692161.db2.gz DIIAKWGPAMBMOW-TUAOUCFPSA-N 1 1 323.397 -1.429 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807229 662692169 /nfs/dbraw/zinc/69/21/69/662692169.db2.gz DWLHLJQKUDHOCI-AXFHLTTASA-N 1 1 317.411 -1.410 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807229 662692170 /nfs/dbraw/zinc/69/21/70/662692170.db2.gz DWLHLJQKUDHOCI-AXFHLTTASA-N 1 1 317.411 -1.410 20 0 DAADMO CN1C[C@@H](O)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000924984637 662692242 /nfs/dbraw/zinc/69/22/42/662692242.db2.gz WTXYLFMMGHGWGR-UPJWGTAASA-N 1 1 312.414 -1.422 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001028805897 662692343 /nfs/dbraw/zinc/69/23/43/662692343.db2.gz VLGDBYVKDQWPJQ-WCQGTBRESA-N 1 1 306.370 -1.125 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001028805897 662692344 /nfs/dbraw/zinc/69/23/44/662692344.db2.gz VLGDBYVKDQWPJQ-WCQGTBRESA-N 1 1 306.370 -1.125 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840798 662692553 /nfs/dbraw/zinc/69/25/53/662692553.db2.gz MEJUROGSQGNFPP-QWRGUYRKSA-N 1 1 324.381 -1.484 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840796 662692619 /nfs/dbraw/zinc/69/26/19/662692619.db2.gz MEJUROGSQGNFPP-GHMZBOCLSA-N 1 1 324.381 -1.484 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865849 662692910 /nfs/dbraw/zinc/69/29/10/662692910.db2.gz BWZSIALQNJXDEJ-JTQLQIEISA-N 1 1 324.381 -1.435 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866986 662692916 /nfs/dbraw/zinc/69/29/16/662692916.db2.gz WDAGRSMBMSTXSW-ZJUUUORDSA-N 1 1 324.381 -1.388 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028865261 662693013 /nfs/dbraw/zinc/69/30/13/662693013.db2.gz OLDXNOINDBPPPR-MWLCHTKSSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028865280 662693238 /nfs/dbraw/zinc/69/32/38/662693238.db2.gz OQVFHTGOCFXPDS-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028865280 662693239 /nfs/dbraw/zinc/69/32/39/662693239.db2.gz OQVFHTGOCFXPDS-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001028873835 662693365 /nfs/dbraw/zinc/69/33/65/662693365.db2.gz IXKHPVUXHOAZGX-SNVBAGLBSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028865263 662693376 /nfs/dbraw/zinc/69/33/76/662693376.db2.gz OLDXNOINDBPPPR-ONGXEEELSA-N 1 1 320.353 -1.328 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865958 662693462 /nfs/dbraw/zinc/69/34/62/662693462.db2.gz CQRGBTIZZNWUFB-BDAKNGLRSA-N 1 1 310.354 -1.649 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)S1(=O)=O ZINC001028862028 662693487 /nfs/dbraw/zinc/69/34/87/662693487.db2.gz KDTHUIYKBKXDDA-UWVGGRQHSA-N 1 1 318.399 -2.056 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001028882534 662693517 /nfs/dbraw/zinc/69/35/17/662693517.db2.gz IABSJCIAKRIEBB-SCZZXKLOSA-N 1 1 307.310 -1.074 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001028928733 662693633 /nfs/dbraw/zinc/69/36/33/662693633.db2.gz OUJWACDQAUUKIN-SNVBAGLBSA-N 1 1 320.353 -1.148 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001028927896 662693753 /nfs/dbraw/zinc/69/37/53/662693753.db2.gz YIRWEFNOKQNYPE-VIFPVBQESA-N 1 1 318.337 -1.028 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001028936266 662693932 /nfs/dbraw/zinc/69/39/32/662693932.db2.gz SOMYKJRABPWIOF-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001028920574 662693956 /nfs/dbraw/zinc/69/39/56/662693956.db2.gz BQMFHRLZHBTWRG-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001028929216 662694110 /nfs/dbraw/zinc/69/41/10/662694110.db2.gz ZAXNDSBOZYGFMO-SECBINFHSA-N 1 1 306.326 -1.538 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001028917626 662694245 /nfs/dbraw/zinc/69/42/45/662694245.db2.gz OVQBINADTVNKMF-WDEREUQCSA-N 1 1 322.369 -1.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001028917626 662694247 /nfs/dbraw/zinc/69/42/47/662694247.db2.gz OVQBINADTVNKMF-WDEREUQCSA-N 1 1 322.369 -1.224 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028994384 662694426 /nfs/dbraw/zinc/69/44/26/662694426.db2.gz RJKSZKPNMCGKJM-NWDGAFQWSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970826 662694431 /nfs/dbraw/zinc/69/44/31/662694431.db2.gz ADIOBOWPXWNAEO-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001028993397 662694545 /nfs/dbraw/zinc/69/45/45/662694545.db2.gz YHQJWWSXUWITMW-MNOVXSKESA-N 1 1 305.400 -1.501 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028963189 662694549 /nfs/dbraw/zinc/69/45/49/662694549.db2.gz IYZUNVCEHNUBKJ-VXGBXAGGSA-N 1 1 312.370 -1.843 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001028990776 662694628 /nfs/dbraw/zinc/69/46/28/662694628.db2.gz QLAFUPAKTSSHIA-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979591 662694719 /nfs/dbraw/zinc/69/47/19/662694719.db2.gz ANELZKGYNXHCPS-RKDXNWHRSA-N 1 1 323.353 -1.589 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990944 662694749 /nfs/dbraw/zinc/69/47/49/662694749.db2.gz UVBVSKGOQZIPGG-VHSXEESVSA-N 1 1 318.399 -2.138 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007574 662695022 /nfs/dbraw/zinc/69/50/22/662695022.db2.gz FAPVWHRDZIMBAM-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007404 662695029 /nfs/dbraw/zinc/69/50/29/662695029.db2.gz YWXPXQPCMIBGFE-ZJUUUORDSA-N 1 1 309.370 -1.351 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029006892 662695111 /nfs/dbraw/zinc/69/51/11/662695111.db2.gz OWQRAHYCNPQOSQ-JTQLQIEISA-N 1 1 309.370 -1.479 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001068 662695143 /nfs/dbraw/zinc/69/51/43/662695143.db2.gz PCZBNXRFCLBLBX-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995240 662695189 /nfs/dbraw/zinc/69/51/89/662695189.db2.gz JWZUHDAREAHEDI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007401 662695345 /nfs/dbraw/zinc/69/53/45/662695345.db2.gz YWXPXQPCMIBGFE-NXEZZACHSA-N 1 1 309.370 -1.351 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001029000910 662695371 /nfs/dbraw/zinc/69/53/71/662695371.db2.gz MAFNGSWVZLZLDY-QMMMGPOBSA-N 1 1 309.330 -2.700 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001029000910 662695372 /nfs/dbraw/zinc/69/53/72/662695372.db2.gz MAFNGSWVZLZLDY-QMMMGPOBSA-N 1 1 309.330 -2.700 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029015297 662695405 /nfs/dbraw/zinc/69/54/05/662695405.db2.gz VGKWDHJQEBWXLT-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029015297 662695407 /nfs/dbraw/zinc/69/54/07/662695407.db2.gz VGKWDHJQEBWXLT-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029006893 662695437 /nfs/dbraw/zinc/69/54/37/662695437.db2.gz OWQRAHYCNPQOSQ-SNVBAGLBSA-N 1 1 309.370 -1.479 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3COCCN3C)C2)n1 ZINC000983510890 662695611 /nfs/dbraw/zinc/69/56/11/662695611.db2.gz LPPNRIAMPJDLDL-IJLUTSLNSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCOCC3)C2)n1 ZINC000983502765 662695706 /nfs/dbraw/zinc/69/57/06/662695706.db2.gz ASDAVJRJHDCKMC-HAQNSBGRSA-N 1 1 323.401 -1.473 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001029019601 662695890 /nfs/dbraw/zinc/69/58/90/662695890.db2.gz ZSUHOWRHRHSNKT-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO Cn1c2[nH]c(N3CC([N@H+]4CC[C@@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC000894397041 662696176 /nfs/dbraw/zinc/69/61/76/662696176.db2.gz CTSPGDPKIKLEPC-SECBINFHSA-N 1 1 320.353 -1.785 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC000983599193 662696406 /nfs/dbraw/zinc/69/64/06/662696406.db2.gz PRASKYDKZKLSDG-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)c1cc(=O)n(C)c(=O)n1C ZINC000894958812 662697611 /nfs/dbraw/zinc/69/76/11/662697611.db2.gz SIQAUFHJKRNRJX-UHFFFAOYSA-N 1 1 309.370 -1.706 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000889761097 662697978 /nfs/dbraw/zinc/69/79/78/662697978.db2.gz JMILDAZRANNZQU-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000665103104 662698685 /nfs/dbraw/zinc/69/86/85/662698685.db2.gz JENZLQGSIDJOGP-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764777 662698753 /nfs/dbraw/zinc/69/87/53/662698753.db2.gz YEIFBBWGKWAXKM-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909439034 662698796 /nfs/dbraw/zinc/69/87/96/662698796.db2.gz YMZNFJOCBILULL-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909439034 662698797 /nfs/dbraw/zinc/69/87/97/662698797.db2.gz YMZNFJOCBILULL-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC000983913817 662698813 /nfs/dbraw/zinc/69/88/13/662698813.db2.gz FZASSICCNPHQAA-ZPFDUUQYSA-N 1 1 324.385 -1.002 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029293285 662699097 /nfs/dbraw/zinc/69/90/97/662699097.db2.gz LGZQRCSRTIFYGP-LMLFDSFASA-N 1 1 308.338 -1.342 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)n1 ZINC001029298122 662699664 /nfs/dbraw/zinc/69/96/64/662699664.db2.gz YUCCJMGKGILPPG-AXFHLTTASA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001029298122 662699667 /nfs/dbraw/zinc/69/96/67/662699667.db2.gz YUCCJMGKGILPPG-AXFHLTTASA-N 1 1 304.354 -1.008 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029329785 662700452 /nfs/dbraw/zinc/70/04/52/662700452.db2.gz JPMDLSHDKKOCAX-TXEJJXNPSA-N 1 1 317.411 -1.311 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000984047722 662700927 /nfs/dbraw/zinc/70/09/27/662700927.db2.gz ZDAYWFHFYNZMGS-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000984047722 662700929 /nfs/dbraw/zinc/70/09/29/662700929.db2.gz ZDAYWFHFYNZMGS-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000928563027 662701845 /nfs/dbraw/zinc/70/18/45/662701845.db2.gz NSSFRISDWGOMIG-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2CC[N@H+]2C)cn1C ZINC000928561704 662701911 /nfs/dbraw/zinc/70/19/11/662701911.db2.gz IDFGIWTXBWHCFH-SNVBAGLBSA-N 1 1 315.399 -1.173 20 0 DAADMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CC[N@H+]1C)c(=O)n2C ZINC000928568806 662702004 /nfs/dbraw/zinc/70/20/04/662702004.db2.gz NZXWQMARMSLKKS-SECBINFHSA-N 1 1 320.353 -1.746 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928564155 662702035 /nfs/dbraw/zinc/70/20/35/662702035.db2.gz RUWOORYSHJNOEP-VIFPVBQESA-N 1 1 301.372 -1.481 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=S)NCC(N)=O ZINC000727085535 662702331 /nfs/dbraw/zinc/70/23/31/662702331.db2.gz PFBMSLOTIPFZGD-SNVBAGLBSA-N 1 1 315.443 -1.122 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318864 662710440 /nfs/dbraw/zinc/71/04/40/662710440.db2.gz MEYVZAFKEKONDA-SECBINFHSA-N 1 1 305.400 -1.172 20 0 DAADMO CON(C)C(=O)CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000895418836 662703983 /nfs/dbraw/zinc/70/39/83/662703983.db2.gz CCJNSJMPUDQURY-UHFFFAOYSA-N 1 1 301.391 -1.105 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001029450193 662704331 /nfs/dbraw/zinc/70/43/31/662704331.db2.gz ZHNSWIZZJRYVBO-AXFHLTTASA-N 1 1 304.354 -1.074 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001029450193 662704333 /nfs/dbraw/zinc/70/43/33/662704333.db2.gz ZHNSWIZZJRYVBO-AXFHLTTASA-N 1 1 304.354 -1.074 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029445586 662704422 /nfs/dbraw/zinc/70/44/22/662704422.db2.gz TZWXXSPHIDCLTM-USZNOCQGSA-N 1 1 321.381 -1.378 20 0 DAADMO CN1CCN(C(=O)NCCCS(N)(=O)=O)CC[N@@H+](C)CC1 ZINC000895672932 662704918 /nfs/dbraw/zinc/70/49/18/662704918.db2.gz AESGSOSGRODJOF-UHFFFAOYSA-N 1 1 321.447 -1.446 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC000984567850 662705321 /nfs/dbraw/zinc/70/53/21/662705321.db2.gz FTIDEMSMYZNTBO-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)c(=O)n(C)c1=O ZINC000895980496 662705616 /nfs/dbraw/zinc/70/56/16/662705616.db2.gz UNSOHMHAHIISOM-VIFPVBQESA-N 1 1 301.368 -1.251 20 0 DAADMO Cn1nncc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896232870 662706585 /nfs/dbraw/zinc/70/65/85/662706585.db2.gz OHZNYCYEGMEXDE-UHFFFAOYSA-N 1 1 321.385 -1.060 20 0 DAADMO CNC(=O)CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896234579 662706748 /nfs/dbraw/zinc/70/67/48/662706748.db2.gz UZLCXYGLQXPPGF-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC000984642194 662706772 /nfs/dbraw/zinc/70/67/72/662706772.db2.gz FTIDEMSMYZNTBO-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCC(=O)NC1 ZINC001038451784 662706804 /nfs/dbraw/zinc/70/68/04/662706804.db2.gz QSDRTNVKTOBQTN-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCC(=O)NC1 ZINC001038451784 662706805 /nfs/dbraw/zinc/70/68/05/662706805.db2.gz QSDRTNVKTOBQTN-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000896548720 662707258 /nfs/dbraw/zinc/70/72/58/662707258.db2.gz NQAFNMXVZZGXGD-QWHCGFSZSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896548720 662707265 /nfs/dbraw/zinc/70/72/65/662707265.db2.gz NQAFNMXVZZGXGD-QWHCGFSZSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896548720 662707267 /nfs/dbraw/zinc/70/72/67/662707267.db2.gz NQAFNMXVZZGXGD-QWHCGFSZSA-N 1 1 311.430 -1.489 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000896731796 662707849 /nfs/dbraw/zinc/70/78/49/662707849.db2.gz WSHMENWHSHUHHY-LBPRGKRZSA-N 1 1 318.443 -1.239 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001029513448 662708332 /nfs/dbraw/zinc/70/83/32/662708332.db2.gz CECCOMRXJFNGPS-JFGNBEQYSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001029513448 662708334 /nfs/dbraw/zinc/70/83/34/662708334.db2.gz CECCOMRXJFNGPS-JFGNBEQYSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c(=O)n(C)c1=O ZINC001029499649 662708447 /nfs/dbraw/zinc/70/84/47/662708447.db2.gz OQWSBWXXFVEVJN-PHIMTYICSA-N 1 1 322.365 -1.635 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1=O ZINC001029552589 662709358 /nfs/dbraw/zinc/70/93/58/662709358.db2.gz XQMVGPWKJMOXQK-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254352 662709747 /nfs/dbraw/zinc/70/97/47/662709747.db2.gz OJHPFJWNTISDBN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985253321 662709809 /nfs/dbraw/zinc/70/98/09/662709809.db2.gz HBZFQOZSDUUDCM-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985253321 662709813 /nfs/dbraw/zinc/70/98/13/662709813.db2.gz HBZFQOZSDUUDCM-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001029573523 662710091 /nfs/dbraw/zinc/71/00/91/662710091.db2.gz SMGQFXWCMPIUQR-PHIMTYICSA-N 1 1 324.381 -1.016 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)CC(N)=O)CC2)nc1=O ZINC000985341334 662710267 /nfs/dbraw/zinc/71/02/67/662710267.db2.gz ADINDJZIODWNAZ-UHFFFAOYSA-N 1 1 310.358 -1.593 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985341864 662710381 /nfs/dbraw/zinc/71/03/81/662710381.db2.gz JGLIAPPGZWOQDB-UHFFFAOYSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318864 662710439 /nfs/dbraw/zinc/71/04/39/662710439.db2.gz MEYVZAFKEKONDA-SECBINFHSA-N 1 1 305.400 -1.172 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985348421 662710475 /nfs/dbraw/zinc/71/04/75/662710475.db2.gz MHNZQBJDRIUIFK-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001029643283 662710871 /nfs/dbraw/zinc/71/08/71/662710871.db2.gz PVSCMXOUKJBDAP-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985435688 662710976 /nfs/dbraw/zinc/71/09/76/662710976.db2.gz MMXJTDWKHRCYII-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC001029641160 662710990 /nfs/dbraw/zinc/71/09/90/662710990.db2.gz CLMBZLSSESBLAF-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029642224 662711104 /nfs/dbraw/zinc/71/11/04/662711104.db2.gz YRLFBHBHVJZKCR-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+](C1CCN(C(=O)Cn2ncnn2)CC1)[C@@H]1CCCNC1=O ZINC000985436513 662711231 /nfs/dbraw/zinc/71/12/31/662711231.db2.gz SHRYYTPGRYBEEA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001029669030 662711324 /nfs/dbraw/zinc/71/13/24/662711324.db2.gz YEJAGZJTFFBBHU-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001029669030 662711325 /nfs/dbraw/zinc/71/13/25/662711325.db2.gz YEJAGZJTFFBBHU-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCNC1=O ZINC001029737875 662711432 /nfs/dbraw/zinc/71/14/32/662711432.db2.gz QGNYQBNAWBUFGT-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000985473791 662711547 /nfs/dbraw/zinc/71/15/47/662711547.db2.gz WDBDMEZDBJQLHD-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001029820226 662712607 /nfs/dbraw/zinc/71/26/07/662712607.db2.gz BJMYYEYJKZMKDW-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001029820226 662712608 /nfs/dbraw/zinc/71/26/08/662712608.db2.gz BJMYYEYJKZMKDW-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001029820224 662712886 /nfs/dbraw/zinc/71/28/86/662712886.db2.gz BJMYYEYJKZMKDW-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001029820224 662712887 /nfs/dbraw/zinc/71/28/87/662712887.db2.gz BJMYYEYJKZMKDW-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@@H+](C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)[C@H]1CCCNC1=O ZINC000985608790 662713272 /nfs/dbraw/zinc/71/32/72/662713272.db2.gz UQHCXWSGBYNDHL-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000985682329 662713720 /nfs/dbraw/zinc/71/37/20/662713720.db2.gz RQVCQABMMZLAIY-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000985703988 662713730 /nfs/dbraw/zinc/71/37/30/662713730.db2.gz PXFQTKPKOLBHOX-VIFPVBQESA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000985752851 662714033 /nfs/dbraw/zinc/71/40/33/662714033.db2.gz FFLWOCICDHMTRG-UHFFFAOYSA-N 1 1 320.353 -1.054 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC000985784084 662714267 /nfs/dbraw/zinc/71/42/67/662714267.db2.gz IPRXYGAIBYUAML-UHFFFAOYSA-N 1 1 320.353 -1.403 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000985793946 662714311 /nfs/dbraw/zinc/71/43/11/662714311.db2.gz WOPSVYHUJGSPKM-NSHDSACASA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000985793874 662714323 /nfs/dbraw/zinc/71/43/23/662714323.db2.gz VWJNHKVDWGRYSD-PWSUYJOCSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000985879119 662714522 /nfs/dbraw/zinc/71/45/22/662714522.db2.gz USVCMAGVDMUJDY-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000985879119 662714525 /nfs/dbraw/zinc/71/45/25/662714525.db2.gz USVCMAGVDMUJDY-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985939480 662714585 /nfs/dbraw/zinc/71/45/85/662714585.db2.gz CJNMDZRRYOHYKI-BDAKNGLRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCCC1=O ZINC000985958378 662714983 /nfs/dbraw/zinc/71/49/83/662714983.db2.gz PQEDXGDZWSUOFM-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1cnnn1 ZINC000985941737 662715060 /nfs/dbraw/zinc/71/50/60/662715060.db2.gz JGHSKAZMGGZAHW-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cncn1 ZINC000986006943 662715091 /nfs/dbraw/zinc/71/50/91/662715091.db2.gz XOQZPBACRWAFHJ-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985946153 662715162 /nfs/dbraw/zinc/71/51/62/662715162.db2.gz QNRFXHPHFMXLEY-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCCC1=O ZINC000985958380 662715230 /nfs/dbraw/zinc/71/52/30/662715230.db2.gz PQEDXGDZWSUOFM-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1cnnn1 ZINC000985945323 662715284 /nfs/dbraw/zinc/71/52/84/662715284.db2.gz PKCUPDHVQMGOMW-MWLCHTKSSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nccnc1N ZINC000986067504 662715347 /nfs/dbraw/zinc/71/53/47/662715347.db2.gz JTXYQSSQGRSSLZ-RKDXNWHRSA-N 1 1 317.357 -1.025 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986037503 662715549 /nfs/dbraw/zinc/71/55/49/662715549.db2.gz CIBCPYYYWRIMJO-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986148305 662716086 /nfs/dbraw/zinc/71/60/86/662716086.db2.gz KVVQFSXTKSDTRG-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCOCC1 ZINC000986178280 662716093 /nfs/dbraw/zinc/71/60/93/662716093.db2.gz UAFHNDMAZSXPCN-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CN=NC1=O ZINC000986185257 662716226 /nfs/dbraw/zinc/71/62/26/662716226.db2.gz NYGYKFQPKWGDFG-GXSJLCMTSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnnn1C ZINC000986249116 662716360 /nfs/dbraw/zinc/71/63/60/662716360.db2.gz ZTUCUMZIQBSZLF-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnnn1C ZINC000986249111 662716421 /nfs/dbraw/zinc/71/64/21/662716421.db2.gz ZTUCUMZIQBSZLF-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1ccnn1 ZINC000986217281 662716434 /nfs/dbraw/zinc/71/64/34/662716434.db2.gz LQMFJTUUORYCNE-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@@H]2C)C1 ZINC000986207480 662716494 /nfs/dbraw/zinc/71/64/94/662716494.db2.gz OQQZHKYLFXPOOM-JOYOIKCWSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnnn1C ZINC000986249101 662716561 /nfs/dbraw/zinc/71/65/61/662716561.db2.gz ZTUCUMZIQBSZLF-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncnn1 ZINC000986286534 662716740 /nfs/dbraw/zinc/71/67/40/662716740.db2.gz IVZSMTLLPMOJOI-KOLCDFICSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncnn1 ZINC000986286533 662716775 /nfs/dbraw/zinc/71/67/75/662716775.db2.gz IVZSMTLLPMOJOI-GXSJLCMTSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986279460 662716790 /nfs/dbraw/zinc/71/67/90/662716790.db2.gz KSRBLOHBICENIT-BDAKNGLRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncnn1 ZINC000986274905 662716897 /nfs/dbraw/zinc/71/68/97/662716897.db2.gz BPGBCCIYZRLJPF-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986290062 662716985 /nfs/dbraw/zinc/71/69/85/662716985.db2.gz QWFHUGCJYBZROY-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncnn1 ZINC000986286536 662716997 /nfs/dbraw/zinc/71/69/97/662716997.db2.gz IVZSMTLLPMOJOI-ONGXEEELSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986290065 662717003 /nfs/dbraw/zinc/71/70/03/662717003.db2.gz QWFHUGCJYBZROY-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)CC(N)=O)CC1)[C@@H]1CCC(=O)NC1=O ZINC001029948772 662717685 /nfs/dbraw/zinc/71/76/85/662717685.db2.gz UCTICKKEULDTPH-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000986583037 662717888 /nfs/dbraw/zinc/71/78/88/662717888.db2.gz IPEKJCPWXATJKW-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986658277 662718411 /nfs/dbraw/zinc/71/84/11/662718411.db2.gz SUJPQCUKNVFYNB-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986658276 662718558 /nfs/dbraw/zinc/71/85/58/662718558.db2.gz SUJPQCUKNVFYNB-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986659638 662718987 /nfs/dbraw/zinc/71/89/87/662718987.db2.gz XCSHKIZXNANXGZ-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)c1nnn(C)n1 ZINC000986661329 662719056 /nfs/dbraw/zinc/71/90/56/662719056.db2.gz DFKFOSMKOOXEME-WPRPVWTQSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249998 662721769 /nfs/dbraw/zinc/72/17/69/662721769.db2.gz QZVAOFAYWVLCJL-UWVGGRQHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000987306204 662722105 /nfs/dbraw/zinc/72/21/05/662722105.db2.gz SZOWGFBBVYQAIA-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987482601 662722584 /nfs/dbraw/zinc/72/25/84/662722584.db2.gz PTWCOQJABMYEJD-WPRPVWTQSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC000987515180 662722667 /nfs/dbraw/zinc/72/26/67/662722667.db2.gz AUMSGQWBYIXUSK-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC000987515180 662722671 /nfs/dbraw/zinc/72/26/71/662722671.db2.gz AUMSGQWBYIXUSK-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC000987509497 662722724 /nfs/dbraw/zinc/72/27/24/662722724.db2.gz FESBLKUEYVRGAU-SCVCMEIPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC000987509497 662722727 /nfs/dbraw/zinc/72/27/27/662722727.db2.gz FESBLKUEYVRGAU-SCVCMEIPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987482597 662722837 /nfs/dbraw/zinc/72/28/37/662722837.db2.gz PTWCOQJABMYEJD-SCZZXKLOSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cncn1 ZINC000987470975 662722912 /nfs/dbraw/zinc/72/29/12/662722912.db2.gz KFNAWNDQRKCILA-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1cnnn1 ZINC000988004407 662723974 /nfs/dbraw/zinc/72/39/74/662723974.db2.gz NQJSJOGFTIAEST-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000988011901 662724002 /nfs/dbraw/zinc/72/40/02/662724002.db2.gz XNFBCPPMFUOFCD-PSASIEDQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1cnnn1 ZINC000988013049 662724068 /nfs/dbraw/zinc/72/40/68/662724068.db2.gz ZDRFKEKNTJQWSX-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000988011911 662724080 /nfs/dbraw/zinc/72/40/80/662724080.db2.gz XNFBCPPMFUOFCD-SCZZXKLOSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000988185827 662724567 /nfs/dbraw/zinc/72/45/67/662724567.db2.gz SKPZDHIZUYSRRC-WOPDTQHZSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CS(C)(=O)=O ZINC000988216250 662725091 /nfs/dbraw/zinc/72/50/91/662725091.db2.gz KDQKCFGOFJBIMS-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654806 662726518 /nfs/dbraw/zinc/72/65/18/662726518.db2.gz YGMZONNXZIBJNB-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654806 662726519 /nfs/dbraw/zinc/72/65/19/662726519.db2.gz YGMZONNXZIBJNB-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654547 662726770 /nfs/dbraw/zinc/72/67/70/662726770.db2.gz OUIVLZBQDCBJIC-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000937679089 662727789 /nfs/dbraw/zinc/72/77/89/662727789.db2.gz NDXOMWJIMALMJK-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000937679089 662727792 /nfs/dbraw/zinc/72/77/92/662727792.db2.gz NDXOMWJIMALMJK-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000897496815 662728052 /nfs/dbraw/zinc/72/80/52/662728052.db2.gz RYFBFSHCTLUIEP-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663793 662729960 /nfs/dbraw/zinc/72/99/60/662729960.db2.gz SBUPHYHBTVTKIF-BDAKNGLRSA-N 1 1 321.345 -1.714 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000937745538 662730232 /nfs/dbraw/zinc/73/02/32/662730232.db2.gz ATEPLVPVNQMNNE-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000937771824 662730830 /nfs/dbraw/zinc/73/08/30/662730830.db2.gz GULSEUDODSXOMU-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000937771824 662730832 /nfs/dbraw/zinc/73/08/32/662730832.db2.gz GULSEUDODSXOMU-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CN1CN=NC1=O ZINC000988668870 662730925 /nfs/dbraw/zinc/73/09/25/662730925.db2.gz VHVCTQGXLZWJGU-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000937780559 662731005 /nfs/dbraw/zinc/73/10/05/662731005.db2.gz WAYNSMDKPJWPOB-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000937780559 662731007 /nfs/dbraw/zinc/73/10/07/662731007.db2.gz WAYNSMDKPJWPOB-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937778047 662731074 /nfs/dbraw/zinc/73/10/74/662731074.db2.gz BSVNXIDHMKKJLE-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937778047 662731076 /nfs/dbraw/zinc/73/10/76/662731076.db2.gz BSVNXIDHMKKJLE-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)c1N ZINC000988671457 662731313 /nfs/dbraw/zinc/73/13/13/662731313.db2.gz GDRWVCNAONJNBZ-IUCAKERBSA-N 1 1 319.373 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000937854794 662732431 /nfs/dbraw/zinc/73/24/31/662732431.db2.gz MRDFYOAAUMJBRL-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988720180 662735646 /nfs/dbraw/zinc/73/56/46/662735646.db2.gz QAUCAMNZDMNLBQ-IUCAKERBSA-N 1 1 321.341 -1.105 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000937974638 662736606 /nfs/dbraw/zinc/73/66/06/662736606.db2.gz FQLWROIVOPDQBL-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000937986199 662736708 /nfs/dbraw/zinc/73/67/08/662736708.db2.gz XCQNQGSUVQLRNV-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000937974640 662736718 /nfs/dbraw/zinc/73/67/18/662736718.db2.gz FQLWROIVOPDQBL-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC000938004139 662737126 /nfs/dbraw/zinc/73/71/26/662737126.db2.gz VUGDJCAAIYFFKV-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938002157 662737625 /nfs/dbraw/zinc/73/76/25/662737625.db2.gz JEBSOKNMIRRYAZ-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938014554 662738142 /nfs/dbraw/zinc/73/81/42/662738142.db2.gz LUMVRMSXVYYTLR-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938014554 662738143 /nfs/dbraw/zinc/73/81/43/662738143.db2.gz LUMVRMSXVYYTLR-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1ncn(C)n1 ZINC000988783319 662738779 /nfs/dbraw/zinc/73/87/79/662738779.db2.gz IQDMOWVJRIADGY-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1ncn(C)n1 ZINC000988783324 662739090 /nfs/dbraw/zinc/73/90/90/662739090.db2.gz IQDMOWVJRIADGY-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1ncnn1 ZINC000988829581 662739420 /nfs/dbraw/zinc/73/94/20/662739420.db2.gz OOZCIPCTACSOKS-IUCAKERBSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000988829574 662739490 /nfs/dbraw/zinc/73/94/90/662739490.db2.gz OODWDTHKKWCWMP-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@H]2C)[nH]1 ZINC000988824585 662739523 /nfs/dbraw/zinc/73/95/23/662739523.db2.gz IEDFWMUXPNDLCZ-PSASIEDQSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1ncnn1 ZINC000988836825 662739694 /nfs/dbraw/zinc/73/96/94/662739694.db2.gz FNTMPBDLBCDGDW-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000988848040 662740161 /nfs/dbraw/zinc/74/01/61/662740161.db2.gz DASZMGHHBAGFNQ-WPRPVWTQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)Cn1ncn(C)c1=O ZINC000989069461 662741009 /nfs/dbraw/zinc/74/10/09/662741009.db2.gz OFEJJDWZHGGFOM-VHSXEESVSA-N 1 1 321.341 -1.256 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000989181936 662742276 /nfs/dbraw/zinc/74/22/76/662742276.db2.gz XUHZFVYHUFBFQA-SDDRHHMPSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296565 662742710 /nfs/dbraw/zinc/74/27/10/662742710.db2.gz VKWMZTWIWZCASL-QWRGUYRKSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989310141 662743031 /nfs/dbraw/zinc/74/30/31/662743031.db2.gz YTCSKKHXPHDWDS-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989309215 662743037 /nfs/dbraw/zinc/74/30/37/662743037.db2.gz SSUQGVZKGBDYNR-SFYZADRCSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)c1nnn(C)n1 ZINC000989307904 662743160 /nfs/dbraw/zinc/74/31/60/662743160.db2.gz MJCAFADJIMYNSO-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989310140 662743394 /nfs/dbraw/zinc/74/33/94/662743394.db2.gz YTCSKKHXPHDWDS-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000729620846 662744085 /nfs/dbraw/zinc/74/40/85/662744085.db2.gz VZLNPTQUBUCFRI-TUAOUCFPSA-N 1 1 312.370 -1.255 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCNC1=O)C1CC1 ZINC000897632664 662744816 /nfs/dbraw/zinc/74/48/16/662744816.db2.gz SNVWSQMTMDJWPY-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCNC1=O ZINC000898006245 662745617 /nfs/dbraw/zinc/74/56/17/662745617.db2.gz RVGAPKMHXAWROS-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989452674 662746804 /nfs/dbraw/zinc/74/68/04/662746804.db2.gz JHVBEKKPCIDBSA-SNVBAGLBSA-N 1 1 320.353 -1.313 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989452674 662746807 /nfs/dbraw/zinc/74/68/07/662746807.db2.gz JHVBEKKPCIDBSA-SNVBAGLBSA-N 1 1 320.353 -1.313 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000898037678 662746843 /nfs/dbraw/zinc/74/68/43/662746843.db2.gz UPOCXAYVCVWWSS-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000898037678 662746845 /nfs/dbraw/zinc/74/68/45/662746845.db2.gz UPOCXAYVCVWWSS-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC000898258691 662747290 /nfs/dbraw/zinc/74/72/90/662747290.db2.gz QXCMCDPMDAJGBW-JTQLQIEISA-N 1 1 302.375 -1.151 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)n1 ZINC000989549054 662747807 /nfs/dbraw/zinc/74/78/07/662747807.db2.gz DWDCOSQVCPGQBR-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CC(=O)NC1=O ZINC000989567812 662747963 /nfs/dbraw/zinc/74/79/63/662747963.db2.gz GFGHOXHWWVAQFD-IUCAKERBSA-N 1 1 322.325 -1.300 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989516058 662748135 /nfs/dbraw/zinc/74/81/35/662748135.db2.gz JJJWDRGLJQAVBI-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989516058 662748138 /nfs/dbraw/zinc/74/81/38/662748138.db2.gz JJJWDRGLJQAVBI-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CC(=O)NC1=O ZINC000989567813 662748144 /nfs/dbraw/zinc/74/81/44/662748144.db2.gz GFGHOXHWWVAQFD-RKDXNWHRSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@]1(CC(=O)N2CCC[N@@H+](CCO)CC2)CCS(=O)(=O)N1 ZINC000989557793 662748229 /nfs/dbraw/zinc/74/82/29/662748229.db2.gz RZHBDLUULQOYOE-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO Cc1nn(CC(=O)N2CCC[N@H+](C[C@@H](C)O)CC2)c(=O)n1C ZINC000989586110 662748767 /nfs/dbraw/zinc/74/87/67/662748767.db2.gz GOHHVBOFAOWLHG-LLVKDONJSA-N 1 1 311.386 -1.195 20 0 DAADMO Cc1nn(CC(=O)N2CCC[N@@H+](CCCO)CC2)c(=O)n1C ZINC000989586196 662748904 /nfs/dbraw/zinc/74/89/04/662748904.db2.gz LBQPLRNPTCLDRV-UHFFFAOYSA-N 1 1 311.386 -1.193 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCn1cnnn1 ZINC000989600733 662749137 /nfs/dbraw/zinc/74/91/37/662749137.db2.gz MAZAXRCCVCIWLJ-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCn1cnnn1 ZINC000989600736 662749173 /nfs/dbraw/zinc/74/91/73/662749173.db2.gz MAZAXRCCVCIWLJ-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCn1cnnn1 ZINC000989600735 662749285 /nfs/dbraw/zinc/74/92/85/662749285.db2.gz MAZAXRCCVCIWLJ-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cnnn1 ZINC000989602924 662749471 /nfs/dbraw/zinc/74/94/71/662749471.db2.gz ZSHPYGNFZVYUQU-UWVGGRQHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCn1cnnn1 ZINC000989602179 662749676 /nfs/dbraw/zinc/74/96/76/662749676.db2.gz SDMFRERSLMGTSD-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633261 662749717 /nfs/dbraw/zinc/74/97/17/662749717.db2.gz YVZHLVJTDRHXNJ-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633261 662749721 /nfs/dbraw/zinc/74/97/21/662749721.db2.gz YVZHLVJTDRHXNJ-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989658202 662749963 /nfs/dbraw/zinc/74/99/63/662749963.db2.gz UHFAVNISUWIKKU-QWRGUYRKSA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989739620 662750645 /nfs/dbraw/zinc/75/06/45/662750645.db2.gz XKXISEFHUFDBEY-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1C(=O)CNC1=O ZINC000989766374 662750727 /nfs/dbraw/zinc/75/07/27/662750727.db2.gz PXYJZYJLMHUHBD-BDAKNGLRSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1C(=O)CNC1=O ZINC000989766375 662751013 /nfs/dbraw/zinc/75/10/13/662751013.db2.gz PXYJZYJLMHUHBD-DTWKUNHWSA-N 1 1 322.325 -1.300 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989806660 662751309 /nfs/dbraw/zinc/75/13/09/662751309.db2.gz JZISCPBJPIYZMW-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989806660 662751312 /nfs/dbraw/zinc/75/13/12/662751312.db2.gz JZISCPBJPIYZMW-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815471 662751764 /nfs/dbraw/zinc/75/17/64/662751764.db2.gz FJHDQTQNJAONTA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815471 662751766 /nfs/dbraw/zinc/75/17/66/662751766.db2.gz FJHDQTQNJAONTA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000989917465 662751871 /nfs/dbraw/zinc/75/18/71/662751871.db2.gz FOTDWDAYFOUUIX-UHFFFAOYSA-N 1 1 306.334 -2.023 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989939856 662751894 /nfs/dbraw/zinc/75/18/94/662751894.db2.gz NFTJRQNKWSDQNX-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000989938459 662752033 /nfs/dbraw/zinc/75/20/33/662752033.db2.gz CZHXBEZUNDGWHB-GYSYKLTISA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489238 662752611 /nfs/dbraw/zinc/75/26/11/662752611.db2.gz BWMXCVCHMVBGHC-YUMQZZPRSA-N 1 1 309.330 -2.559 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489238 662752612 /nfs/dbraw/zinc/75/26/12/662752612.db2.gz BWMXCVCHMVBGHC-YUMQZZPRSA-N 1 1 309.330 -2.559 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3=COCCO3)C2)C1 ZINC000990125340 662753205 /nfs/dbraw/zinc/75/32/05/662753205.db2.gz OSOSPKROCXNWDZ-NSHDSACASA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3=COCCO3)C2)C1 ZINC000990125340 662753207 /nfs/dbraw/zinc/75/32/07/662753207.db2.gz OSOSPKROCXNWDZ-NSHDSACASA-N 1 1 311.338 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NC1CN(C(=O)CCc2cnc[nH]2)C1 ZINC000990185966 662755286 /nfs/dbraw/zinc/75/52/86/662755286.db2.gz OTJOPDRUNKVECN-UHFFFAOYSA-N 1 1 304.314 -1.644 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990187220 662755341 /nfs/dbraw/zinc/75/53/41/662755341.db2.gz CPTSXVUHUMMDEV-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990188086 662755902 /nfs/dbraw/zinc/75/59/02/662755902.db2.gz PFMHKVCEXRDFMF-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990188086 662755904 /nfs/dbraw/zinc/75/59/04/662755904.db2.gz PFMHKVCEXRDFMF-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990189001 662755914 /nfs/dbraw/zinc/75/59/14/662755914.db2.gz NVRIACHEAMJROH-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190647 662756040 /nfs/dbraw/zinc/75/60/40/662756040.db2.gz KLVAEPICRGFSBA-LBPRGKRZSA-N 1 1 321.385 -1.127 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190240 662756242 /nfs/dbraw/zinc/75/62/42/662756242.db2.gz XTKGOTKLTGTBEB-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190291 662756273 /nfs/dbraw/zinc/75/62/73/662756273.db2.gz YWPKDYDFMALKGC-PHIMTYICSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990191095 662756284 /nfs/dbraw/zinc/75/62/84/662756284.db2.gz LXVLPSGQPZLKRU-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990233661 662757370 /nfs/dbraw/zinc/75/73/70/662757370.db2.gz IKXZCELGWCZMPB-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990233661 662757373 /nfs/dbraw/zinc/75/73/73/662757373.db2.gz IKXZCELGWCZMPB-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000990306133 662758571 /nfs/dbraw/zinc/75/85/71/662758571.db2.gz IOCQFPYVOFXQIF-TYNCELHUSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000990306133 662758575 /nfs/dbraw/zinc/75/85/75/662758575.db2.gz IOCQFPYVOFXQIF-TYNCELHUSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000990306131 662758707 /nfs/dbraw/zinc/75/87/07/662758707.db2.gz IOCQFPYVOFXQIF-JMSVASOKSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000990306131 662758708 /nfs/dbraw/zinc/75/87/08/662758708.db2.gz IOCQFPYVOFXQIF-JMSVASOKSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000990306132 662758795 /nfs/dbraw/zinc/75/87/95/662758795.db2.gz IOCQFPYVOFXQIF-LALPHHSUSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000990306132 662758797 /nfs/dbraw/zinc/75/87/97/662758797.db2.gz IOCQFPYVOFXQIF-LALPHHSUSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990331832 662759850 /nfs/dbraw/zinc/75/98/50/662759850.db2.gz UVHLQVLVEFWGSB-GPCCPHFNSA-N 1 1 322.369 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)Cn1cnnn1 ZINC000990429745 662761367 /nfs/dbraw/zinc/76/13/67/662761367.db2.gz DTTVMPRLGLBUMV-KOLCDFICSA-N 1 1 318.341 -1.256 20 0 DAADMO Cn1nccc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990427906 662761592 /nfs/dbraw/zinc/76/15/92/662761592.db2.gz ULUZZXZBOAKAGA-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1nccc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990427906 662761594 /nfs/dbraw/zinc/76/15/94/662761594.db2.gz ULUZZXZBOAKAGA-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000923917634 662762446 /nfs/dbraw/zinc/76/24/46/662762446.db2.gz DKXRHBFCAFZEHL-BXUZGUMPSA-N 1 1 312.370 -1.383 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990497852 662763546 /nfs/dbraw/zinc/76/35/46/662763546.db2.gz JKHWGJFVFQRQAM-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000990511312 662763712 /nfs/dbraw/zinc/76/37/12/662763712.db2.gz TVGAOMZOEHRBSU-ONGXEEELSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1=O ZINC000990507272 662763813 /nfs/dbraw/zinc/76/38/13/662763813.db2.gz GEOYNJHBDDQXDZ-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990496736 662763822 /nfs/dbraw/zinc/76/38/22/662763822.db2.gz XAVWOXWSNOHNAQ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000990521789 662764042 /nfs/dbraw/zinc/76/40/42/662764042.db2.gz GQHWHRMJVLHUMC-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000990518746 662764062 /nfs/dbraw/zinc/76/40/62/662764062.db2.gz SDMVSNFSIONEIN-XHDPSFHLSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000990511889 662764087 /nfs/dbraw/zinc/76/40/87/662764087.db2.gz WMIUXHPHDLYRSW-WDEREUQCSA-N 1 1 309.370 -1.569 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000990515222 662764220 /nfs/dbraw/zinc/76/42/20/662764220.db2.gz TUUMFYONJBHGAN-IAQYHMDHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000990521802 662764268 /nfs/dbraw/zinc/76/42/68/662764268.db2.gz GQHWHRMJVLHUMC-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000990512624 662764324 /nfs/dbraw/zinc/76/43/24/662764324.db2.gz DIDCZJOMWUBVKK-NSHDSACASA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000990520025 662764392 /nfs/dbraw/zinc/76/43/92/662764392.db2.gz VOWDEFZDJFIILL-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCNC2=O)C1 ZINC000990512824 662764399 /nfs/dbraw/zinc/76/43/99/662764399.db2.gz GKONFXVHGFBLEA-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000990516130 662764422 /nfs/dbraw/zinc/76/44/22/662764422.db2.gz NLOFMNQVOHHPJY-JTQLQIEISA-N 1 1 323.353 -2.041 20 0 DAADMO Cc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990517208 662764638 /nfs/dbraw/zinc/76/46/38/662764638.db2.gz MCJZBWZQGXNZTA-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990517208 662764642 /nfs/dbraw/zinc/76/46/42/662764642.db2.gz MCJZBWZQGXNZTA-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000990515223 662764717 /nfs/dbraw/zinc/76/47/17/662764717.db2.gz TUUMFYONJBHGAN-NHYWBVRUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000990527840 662764816 /nfs/dbraw/zinc/76/48/16/662764816.db2.gz XMTSXJCWHHYUGO-JTQLQIEISA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000990616010 662767030 /nfs/dbraw/zinc/76/70/30/662767030.db2.gz FXZBMDZEQBQECK-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000990616010 662767033 /nfs/dbraw/zinc/76/70/33/662767033.db2.gz FXZBMDZEQBQECK-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990616060 662767165 /nfs/dbraw/zinc/76/71/65/662767165.db2.gz HGKHMKGNTXVSEY-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990616060 662767168 /nfs/dbraw/zinc/76/71/68/662767168.db2.gz HGKHMKGNTXVSEY-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000990615283 662767299 /nfs/dbraw/zinc/76/72/99/662767299.db2.gz BLZCKACWSXRUNA-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000990615283 662767303 /nfs/dbraw/zinc/76/73/03/662767303.db2.gz BLZCKACWSXRUNA-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990617105 662767562 /nfs/dbraw/zinc/76/75/62/662767562.db2.gz LHGUCSZTCLGVQR-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990615687 662767718 /nfs/dbraw/zinc/76/77/18/662767718.db2.gz FEIKYJCSYBQGCF-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990615687 662767726 /nfs/dbraw/zinc/76/77/26/662767726.db2.gz FEIKYJCSYBQGCF-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990616018 662767845 /nfs/dbraw/zinc/76/78/45/662767845.db2.gz GDPASLIXOKYHBJ-SNVBAGLBSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990616018 662767849 /nfs/dbraw/zinc/76/78/49/662767849.db2.gz GDPASLIXOKYHBJ-SNVBAGLBSA-N 1 1 308.342 -1.914 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990615266 662767988 /nfs/dbraw/zinc/76/79/88/662767988.db2.gz BCJGYLNBEWFDJU-PWSUYJOCSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990615266 662767991 /nfs/dbraw/zinc/76/79/91/662767991.db2.gz BCJGYLNBEWFDJU-PWSUYJOCSA-N 1 1 322.369 -1.503 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1N ZINC000990619320 662768156 /nfs/dbraw/zinc/76/81/56/662768156.db2.gz WEFPPRXEHQMMDY-NSHDSACASA-N 1 1 322.369 -1.727 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1N ZINC000990619320 662768159 /nfs/dbraw/zinc/76/81/59/662768159.db2.gz WEFPPRXEHQMMDY-NSHDSACASA-N 1 1 322.369 -1.727 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990622968 662768178 /nfs/dbraw/zinc/76/81/78/662768178.db2.gz LCPRCAKUTJGMQG-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990622968 662768181 /nfs/dbraw/zinc/76/81/81/662768181.db2.gz LCPRCAKUTJGMQG-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000990622986 662768187 /nfs/dbraw/zinc/76/81/87/662768187.db2.gz LDMHIALFRWEXOE-SMDDNHRTSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000990622986 662768191 /nfs/dbraw/zinc/76/81/91/662768191.db2.gz LDMHIALFRWEXOE-SMDDNHRTSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccncn3)C2)C1 ZINC000990618001 662768340 /nfs/dbraw/zinc/76/83/40/662768340.db2.gz UZTASVWWZUQFDL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccncn3)C2)C1 ZINC000990618001 662768343 /nfs/dbraw/zinc/76/83/43/662768343.db2.gz UZTASVWWZUQFDL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000990620533 662768510 /nfs/dbraw/zinc/76/85/10/662768510.db2.gz AZECHUXWBFRPRV-NHYWBVRUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000990620533 662768512 /nfs/dbraw/zinc/76/85/12/662768512.db2.gz AZECHUXWBFRPRV-NHYWBVRUSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1N ZINC000990619290 662768633 /nfs/dbraw/zinc/76/86/33/662768633.db2.gz WEFPPRXEHQMMDY-LLVKDONJSA-N 1 1 322.369 -1.727 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1N ZINC000990619290 662768634 /nfs/dbraw/zinc/76/86/34/662768634.db2.gz WEFPPRXEHQMMDY-LLVKDONJSA-N 1 1 322.369 -1.727 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990621867 662768676 /nfs/dbraw/zinc/76/86/76/662768676.db2.gz FQGODASEPGEPBL-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990621867 662768677 /nfs/dbraw/zinc/76/86/77/662768677.db2.gz FQGODASEPGEPBL-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1ccn(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990629198 662768884 /nfs/dbraw/zinc/76/88/84/662768884.db2.gz IHMBMAFNYRHFMM-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccn(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990629198 662768886 /nfs/dbraw/zinc/76/88/86/662768886.db2.gz IHMBMAFNYRHFMM-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990624007 662768966 /nfs/dbraw/zinc/76/89/66/662768966.db2.gz PWUHCWPXNFSJLI-JTQLQIEISA-N 1 1 308.342 -1.616 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990624007 662768969 /nfs/dbraw/zinc/76/89/69/662768969.db2.gz PWUHCWPXNFSJLI-JTQLQIEISA-N 1 1 308.342 -1.616 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000990627167 662769112 /nfs/dbraw/zinc/76/91/12/662769112.db2.gz XNTWAKALGHYKNX-QWRGUYRKSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000990627167 662769115 /nfs/dbraw/zinc/76/91/15/662769115.db2.gz XNTWAKALGHYKNX-QWRGUYRKSA-N 1 1 310.354 -2.220 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000990630250 662769484 /nfs/dbraw/zinc/76/94/84/662769484.db2.gz LZKBUABYRDNURH-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000990632683 662769505 /nfs/dbraw/zinc/76/95/05/662769505.db2.gz SGAWULYVJJRHCE-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000990632683 662769509 /nfs/dbraw/zinc/76/95/09/662769509.db2.gz SGAWULYVJJRHCE-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990693998 662770245 /nfs/dbraw/zinc/77/02/45/662770245.db2.gz YYWKSIQGZWMGQS-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCCc2nnnn2C)CC1 ZINC000898601168 662770654 /nfs/dbraw/zinc/77/06/54/662770654.db2.gz AAOAJBIDOGVDAF-NSHDSACASA-N 1 1 311.390 -1.149 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC000990710993 662770685 /nfs/dbraw/zinc/77/06/85/662770685.db2.gz LHZPQRCRGCYNRF-WDMOLILDSA-N 1 1 319.369 -1.325 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990711938 662770720 /nfs/dbraw/zinc/77/07/20/662770720.db2.gz NVEMJYVDYFFZLW-MJVIPROJSA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC000990710973 662770766 /nfs/dbraw/zinc/77/07/66/662770766.db2.gz LHZPQRCRGCYNRF-MJVIPROJSA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCCc1nnnn1C ZINC000898601526 662770785 /nfs/dbraw/zinc/77/07/85/662770785.db2.gz UAJRZWKUYCXLNQ-NSHDSACASA-N 1 1 311.390 -1.149 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCCc1nnnn1C ZINC000898601526 662770789 /nfs/dbraw/zinc/77/07/89/662770789.db2.gz UAJRZWKUYCXLNQ-NSHDSACASA-N 1 1 311.390 -1.149 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628067 662770809 /nfs/dbraw/zinc/77/08/09/662770809.db2.gz PIINTFMOLZUNFN-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628067 662770811 /nfs/dbraw/zinc/77/08/11/662770811.db2.gz PIINTFMOLZUNFN-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000990710967 662770863 /nfs/dbraw/zinc/77/08/63/662770863.db2.gz LHZPQRCRGCYNRF-GYSYKLTISA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990717587 662770960 /nfs/dbraw/zinc/77/09/60/662770960.db2.gz ZWNFOKITPFLCJH-BREBYQMCSA-N 1 1 307.358 -1.340 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000898698085 662771101 /nfs/dbraw/zinc/77/11/01/662771101.db2.gz BYZATCWPWAIWMQ-UHFFFAOYSA-N 1 1 323.397 -1.176 20 0 DAADMO CN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000898698448 662771136 /nfs/dbraw/zinc/77/11/36/662771136.db2.gz MHHZNEQBJOHQLE-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCNC3=O)CC[C@H]21 ZINC000898692794 662771340 /nfs/dbraw/zinc/77/13/40/662771340.db2.gz YGUXDOAYTYJTAC-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1cc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001038133007 662771606 /nfs/dbraw/zinc/77/16/06/662771606.db2.gz AOHXAZIXLHXTMI-CHWSQXEVSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001038133007 662771608 /nfs/dbraw/zinc/77/16/08/662771608.db2.gz AOHXAZIXLHXTMI-CHWSQXEVSA-N 1 1 308.386 -1.164 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899055016 662771702 /nfs/dbraw/zinc/77/17/02/662771702.db2.gz DUVWZTOWGXEVPZ-UHFFFAOYSA-N 1 1 321.399 -1.509 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899055016 662771706 /nfs/dbraw/zinc/77/17/06/662771706.db2.gz DUVWZTOWGXEVPZ-UHFFFAOYSA-N 1 1 321.399 -1.509 20 0 DAADMO COCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000899252801 662772094 /nfs/dbraw/zinc/77/20/94/662772094.db2.gz JKSJTTYCSCRIBW-AXFHLTTASA-N 1 1 316.379 -1.263 20 0 DAADMO COCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000899252801 662772097 /nfs/dbraw/zinc/77/20/97/662772097.db2.gz JKSJTTYCSCRIBW-AXFHLTTASA-N 1 1 316.379 -1.263 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900429488 662777196 /nfs/dbraw/zinc/77/71/96/662777196.db2.gz LNOXNBRSYXFRIS-ZYHUDNBSSA-N 1 1 307.416 -1.115 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CC1=O ZINC001014639196 662773121 /nfs/dbraw/zinc/77/31/21/662773121.db2.gz WWEQYDQEVXSJTJ-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900429488 662777199 /nfs/dbraw/zinc/77/71/99/662777199.db2.gz LNOXNBRSYXFRIS-ZYHUDNBSSA-N 1 1 307.416 -1.115 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000990795889 662773218 /nfs/dbraw/zinc/77/32/18/662773218.db2.gz IAMBVVHAXYBIAJ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1ccn(C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCO)c(=O)c1 ZINC000899738136 662774652 /nfs/dbraw/zinc/77/46/52/662774652.db2.gz SPMCRVAWAHEICC-OAHLLOKOSA-N 1 1 311.382 -1.052 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000899738691 662774780 /nfs/dbraw/zinc/77/47/80/662774780.db2.gz LSXSBSINWKSMLG-TXEJJXNPSA-N 1 1 309.366 -1.022 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)NCC[N@@H+](C)CCO)CC2=O)cn1 ZINC000899741602 662775034 /nfs/dbraw/zinc/77/50/34/662775034.db2.gz RJRLVXYROINCEV-NSHDSACASA-N 1 1 309.370 -1.187 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990811552 662775209 /nfs/dbraw/zinc/77/52/09/662775209.db2.gz NVRZYCQUVBQFON-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990811553 662775408 /nfs/dbraw/zinc/77/54/08/662775408.db2.gz NVRZYCQUVBQFON-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000900100249 662776086 /nfs/dbraw/zinc/77/60/86/662776086.db2.gz BWLTZWNSRSKKOP-YPMHNXCESA-N 1 1 319.427 -1.065 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900172252 662776464 /nfs/dbraw/zinc/77/64/64/662776464.db2.gz ZCKSTMHLQWZREX-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CN(CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)S(C)(=O)=O ZINC000900191941 662776521 /nfs/dbraw/zinc/77/65/21/662776521.db2.gz KHNJDPWHNYECKN-PWSUYJOCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900202470 662776616 /nfs/dbraw/zinc/77/66/16/662776616.db2.gz KNFNFEPNAJPSLI-HIFRSBDPSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900429485 662777269 /nfs/dbraw/zinc/77/72/69/662777269.db2.gz LNOXNBRSYXFRIS-CMPLNLGQSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900429485 662777271 /nfs/dbraw/zinc/77/72/71/662777271.db2.gz LNOXNBRSYXFRIS-CMPLNLGQSA-N 1 1 307.416 -1.115 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900448665 662777452 /nfs/dbraw/zinc/77/74/52/662777452.db2.gz MIUZNNJCMJTFIP-YPMHNXCESA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000900436643 662777647 /nfs/dbraw/zinc/77/76/47/662777647.db2.gz NULOFPOEWYEYQK-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900452620 662777652 /nfs/dbraw/zinc/77/76/52/662777652.db2.gz PVTXTYXGLPNJPV-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1OCCN(C)C1=O ZINC000900648204 662778504 /nfs/dbraw/zinc/77/85/04/662778504.db2.gz WXGXOSINDRJWBK-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900659100 662778532 /nfs/dbraw/zinc/77/85/32/662778532.db2.gz LZQDMSSUMPNMOV-LLVKDONJSA-N 1 1 304.416 -1.760 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)CC1 ZINC000900613968 662778660 /nfs/dbraw/zinc/77/86/60/662778660.db2.gz BMEJXXOELCINFX-LLVKDONJSA-N 1 1 309.370 -1.614 20 0 DAADMO CN1CCN(C(=O)CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900685714 662778731 /nfs/dbraw/zinc/77/87/31/662778731.db2.gz VCVDFQKNWPBEMN-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900684532 662778839 /nfs/dbraw/zinc/77/88/39/662778839.db2.gz ASTNAKXMUQBKSZ-UHFFFAOYSA-N 1 1 311.386 -2.302 20 0 DAADMO Cn1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)n(C)c1=O ZINC000900685220 662778846 /nfs/dbraw/zinc/77/88/46/662778846.db2.gz OSDVZBUKSLFGEQ-UHFFFAOYSA-N 1 1 309.370 -1.382 20 0 DAADMO C[C@H](CNC(=O)[C@H]1OCCN(C)C1=O)CN1CC[NH+](C)CC1 ZINC000900693203 662779078 /nfs/dbraw/zinc/77/90/78/662779078.db2.gz OWXOMKUEZODEHD-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CCO[C@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1=O ZINC000900701059 662779293 /nfs/dbraw/zinc/77/92/93/662779293.db2.gz VIHFSPREQWOONU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC[N@@H+]2CCCN(C)CC2)C1=O ZINC000900701059 662779295 /nfs/dbraw/zinc/77/92/95/662779295.db2.gz VIHFSPREQWOONU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC[N@H+]2CCCN(C)CC2)C1=O ZINC000900701059 662779298 /nfs/dbraw/zinc/77/92/98/662779298.db2.gz VIHFSPREQWOONU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900732649 662779348 /nfs/dbraw/zinc/77/93/48/662779348.db2.gz VECKJDJNEQESPN-XQQFMLRXSA-N 1 1 310.398 -1.370 20 0 DAADMO CC(C)OCC[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000900915975 662779972 /nfs/dbraw/zinc/77/99/72/662779972.db2.gz VOJQBDHWKJNURX-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H](O)C(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000900965619 662780025 /nfs/dbraw/zinc/78/00/25/662780025.db2.gz CMRUFLBTIVXOHS-WDEREUQCSA-N 1 1 322.427 -1.305 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H](O)C(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000900965616 662780390 /nfs/dbraw/zinc/78/03/90/662780390.db2.gz CMRUFLBTIVXOHS-MNOVXSKESA-N 1 1 322.427 -1.305 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000900968147 662780398 /nfs/dbraw/zinc/78/03/98/662780398.db2.gz UUCLOTYYKWGEMH-NXEZZACHSA-N 1 1 319.383 -1.328 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000901175477 662781112 /nfs/dbraw/zinc/78/11/12/662781112.db2.gz PUYDSIIVGSGPFL-FOGDFJRCSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000901175477 662781110 /nfs/dbraw/zinc/78/11/10/662781110.db2.gz PUYDSIIVGSGPFL-FOGDFJRCSA-N 1 1 305.400 -1.408 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901334102 662781393 /nfs/dbraw/zinc/78/13/93/662781393.db2.gz NBYMJGFDTRXNAH-SUNKGSAMSA-N 1 1 300.355 -1.032 20 0 DAADMO C[C@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000901340466 662781527 /nfs/dbraw/zinc/78/15/27/662781527.db2.gz YNDWGKRGGRCDLL-GMXVVIOVSA-N 1 1 319.427 -1.066 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)no1 ZINC000938210978 662781538 /nfs/dbraw/zinc/78/15/38/662781538.db2.gz IROIOJHFAKILCE-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990911931 662783154 /nfs/dbraw/zinc/78/31/54/662783154.db2.gz YBEATYFQBKGMLH-JSGCOSHPSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CCOCC3)C2)CC[N@H+]1C ZINC000990909157 662783226 /nfs/dbraw/zinc/78/32/26/662783226.db2.gz YIYDWRIIMQUJFE-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990919878 662784093 /nfs/dbraw/zinc/78/40/93/662784093.db2.gz HFNKIDYOAMNQJS-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990945343 662786752 /nfs/dbraw/zinc/78/67/52/662786752.db2.gz ZLWGJFHLMMQBCG-GXSJLCMTSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990945344 662786802 /nfs/dbraw/zinc/78/68/02/662786802.db2.gz ZLWGJFHLMMQBCG-KOLCDFICSA-N 1 1 322.369 -1.492 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3=CCOCC3)C2)C1 ZINC000990967885 662787781 /nfs/dbraw/zinc/78/77/81/662787781.db2.gz SJTVTCKYTDCCEC-ZDUSSCGKSA-N 1 1 309.366 -1.009 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3=CCOCC3)C2)C1 ZINC000990967885 662787784 /nfs/dbraw/zinc/78/77/84/662787784.db2.gz SJTVTCKYTDCCEC-ZDUSSCGKSA-N 1 1 309.366 -1.009 20 0 DAADMO CN1C(=O)C(=O)N(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000902643169 662789031 /nfs/dbraw/zinc/78/90/31/662789031.db2.gz KNYNKZQOPUILSN-GHMZBOCLSA-N 1 1 310.354 -1.105 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000903602113 662790093 /nfs/dbraw/zinc/79/00/93/662790093.db2.gz QNKFUZVKFXZFKQ-VIFPVBQESA-N 1 1 300.402 -1.719 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1[NH3+] ZINC000903770610 662790364 /nfs/dbraw/zinc/79/03/64/662790364.db2.gz HMPRSKSWAHQESX-QJPTWQEYSA-N 1 1 310.398 -1.541 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991045336 662791896 /nfs/dbraw/zinc/79/18/96/662791896.db2.gz BTOROZCQMIZMRE-VIFPVBQESA-N 1 1 308.338 -1.129 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@]12CC[NH2+]C2 ZINC000905012874 662793077 /nfs/dbraw/zinc/79/30/77/662793077.db2.gz PDTNEJWLULZIGP-WOSRLPQWSA-N 1 1 322.409 -1.382 20 0 DAADMO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000905006881 662793222 /nfs/dbraw/zinc/79/32/22/662793222.db2.gz FTAMQKODAAKDKZ-IATRGZMQSA-N 1 1 322.409 -1.396 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC[C@@]12CC[NH2+]C2 ZINC000905012875 662793309 /nfs/dbraw/zinc/79/33/09/662793309.db2.gz PDTNEJWLULZIGP-ZENOOKHLSA-N 1 1 322.409 -1.382 20 0 DAADMO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904987257 662793497 /nfs/dbraw/zinc/79/34/97/662793497.db2.gz OBJHUUUHMVWMTK-STQMWFEESA-N 1 1 312.414 -1.149 20 0 DAADMO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904985752 662793526 /nfs/dbraw/zinc/79/35/26/662793526.db2.gz CPMKYAXXTUEGEV-YNEHKIRRSA-N 1 1 312.414 -1.150 20 0 DAADMO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000904985349 662793563 /nfs/dbraw/zinc/79/35/63/662793563.db2.gz ACFRJLTULFMHOJ-YNEHKIRRSA-N 1 1 310.398 -1.396 20 0 DAADMO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985343 662793572 /nfs/dbraw/zinc/79/35/72/662793572.db2.gz ACFRJLTULFMHOJ-AVGNSLFASA-N 1 1 310.398 -1.396 20 0 DAADMO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904987616 662793844 /nfs/dbraw/zinc/79/38/44/662793844.db2.gz QGQMPYPZTDXBTH-XUXIUFHCSA-N 1 1 322.409 -1.383 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000905016559 662793873 /nfs/dbraw/zinc/79/38/73/662793873.db2.gz SMHKNZFFQNIGNJ-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000905016559 662793876 /nfs/dbraw/zinc/79/38/76/662793876.db2.gz SMHKNZFFQNIGNJ-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904988098 662793937 /nfs/dbraw/zinc/79/39/37/662793937.db2.gz SMMNBVKESZPRSH-MJBXVCDLSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCN1 ZINC000904988098 662793938 /nfs/dbraw/zinc/79/39/38/662793938.db2.gz SMMNBVKESZPRSH-MJBXVCDLSA-N 1 1 324.425 -1.136 20 0 DAADMO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904986063 662794163 /nfs/dbraw/zinc/79/41/63/662794163.db2.gz FMOKXWLEDVZMLE-OLZOCXBDSA-N 1 1 312.414 -1.149 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000905022391 662794280 /nfs/dbraw/zinc/79/42/80/662794280.db2.gz QSSRXIARNUYLDF-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000905022391 662794283 /nfs/dbraw/zinc/79/42/83/662794283.db2.gz QSSRXIARNUYLDF-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991069948 662795894 /nfs/dbraw/zinc/79/58/94/662795894.db2.gz SFPUHGJOPJVTMJ-XHDPSFHLSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991069948 662795897 /nfs/dbraw/zinc/79/58/97/662795897.db2.gz SFPUHGJOPJVTMJ-XHDPSFHLSA-N 1 1 324.381 -1.556 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCO1 ZINC000906729723 662796127 /nfs/dbraw/zinc/79/61/27/662796127.db2.gz CLJIRTFSCUSOQS-CQSZACIVSA-N 1 1 312.414 -1.157 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906631353 662796158 /nfs/dbraw/zinc/79/61/58/662796158.db2.gz PRTQOUVWRBJQFC-UHFFFAOYSA-N 1 1 306.432 -1.465 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CCO1 ZINC000906729722 662796309 /nfs/dbraw/zinc/79/63/09/662796309.db2.gz CLJIRTFSCUSOQS-AWEZNQCLSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000906726686 662796419 /nfs/dbraw/zinc/79/64/19/662796419.db2.gz ATQDXPHOIFLWCB-LBPRGKRZSA-N 1 1 318.443 -1.370 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000907263540 662796587 /nfs/dbraw/zinc/79/65/87/662796587.db2.gz ILMZUPRGOYPDIJ-UHFFFAOYSA-N 1 1 308.386 -1.251 20 0 DAADMO CNC(=O)CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906916430 662797081 /nfs/dbraw/zinc/79/70/81/662797081.db2.gz ZPAVGPDYUJJKPX-UHFFFAOYSA-N 1 1 311.430 -1.630 20 0 DAADMO CS(=O)(=O)N1CC(CS(=O)(=O)NCC[NH+]2CCC2)C1 ZINC000907067294 662797167 /nfs/dbraw/zinc/79/71/67/662797167.db2.gz QUHVJEOSNRHABH-UHFFFAOYSA-N 1 1 311.429 -1.497 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000907453084 662797625 /nfs/dbraw/zinc/79/76/25/662797625.db2.gz UBRREDACPGUVQL-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907718570 662797807 /nfs/dbraw/zinc/79/78/07/662797807.db2.gz RRGUKIAMTUBMMQ-BZPMIXESSA-N 1 1 304.387 -1.028 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907718571 662798155 /nfs/dbraw/zinc/79/81/55/662798155.db2.gz RRGUKIAMTUBMMQ-OUCADQQQSA-N 1 1 304.387 -1.028 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1=O ZINC000907790954 662798325 /nfs/dbraw/zinc/79/83/25/662798325.db2.gz SMNAMUMMSAKPQZ-NHYWBVRUSA-N 1 1 324.381 -1.492 20 0 DAADMO COCCN(C)S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907785547 662798683 /nfs/dbraw/zinc/79/86/83/662798683.db2.gz GNLMCKSTHYYHLP-UHFFFAOYSA-N 1 1 308.448 -1.011 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000908029398 662799048 /nfs/dbraw/zinc/79/90/48/662799048.db2.gz JCIICZHYOQRQGQ-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000908029398 662799050 /nfs/dbraw/zinc/79/90/50/662799050.db2.gz JCIICZHYOQRQGQ-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)CN1CCOCC1 ZINC000907976082 662799123 /nfs/dbraw/zinc/79/91/23/662799123.db2.gz RSEQHVWGERDJOK-SCRDCRAPSA-N 1 1 301.387 -1.749 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000907975219 662799328 /nfs/dbraw/zinc/79/93/28/662799328.db2.gz JJYMEJYLBWWKOQ-AWEZNQCLSA-N 1 1 314.430 -1.711 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H](CO)CN1CCOCC1 ZINC000907976084 662799429 /nfs/dbraw/zinc/79/94/29/662799429.db2.gz RSEQHVWGERDJOK-YRGRVCCFSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)C1 ZINC000991106497 662800227 /nfs/dbraw/zinc/80/02/27/662800227.db2.gz VYQASLPETNHNHR-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)C1 ZINC000991106497 662800228 /nfs/dbraw/zinc/80/02/28/662800228.db2.gz VYQASLPETNHNHR-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991103927 662800266 /nfs/dbraw/zinc/80/02/66/662800266.db2.gz ULANBPDEVRJODA-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1nncc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991103927 662800268 /nfs/dbraw/zinc/80/02/68/662800268.db2.gz ULANBPDEVRJODA-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991124786 662801909 /nfs/dbraw/zinc/80/19/09/662801909.db2.gz JTZCTMPHXKNSHY-MWLCHTKSSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991120957 662802004 /nfs/dbraw/zinc/80/20/04/662802004.db2.gz RCGNQGXLNUTXAF-GXSJLCMTSA-N 1 1 310.354 -1.236 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000908201462 662802254 /nfs/dbraw/zinc/80/22/54/662802254.db2.gz MBQGBBZPPVBDCG-RYUDHWBXSA-N 1 1 317.411 -1.455 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991125967 662802278 /nfs/dbraw/zinc/80/22/78/662802278.db2.gz NIBWRZIBICNRIF-ONGXEEELSA-N 1 1 310.354 -1.094 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC(=O)OC)CC1=O ZINC000908236615 662802508 /nfs/dbraw/zinc/80/25/08/662802508.db2.gz HYJNFTLYBBQECG-LLVKDONJSA-N 1 1 315.370 -1.155 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000908540887 662802841 /nfs/dbraw/zinc/80/28/41/662802841.db2.gz KWRCJXZBUATSBN-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908563951 662802952 /nfs/dbraw/zinc/80/29/52/662802952.db2.gz HROGJQRMLPVBHV-LBPRGKRZSA-N 1 1 320.459 -1.076 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC000991167333 662804408 /nfs/dbraw/zinc/80/44/08/662804408.db2.gz JOJXXTYATKPBNB-NSHDSACASA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC000991167333 662804411 /nfs/dbraw/zinc/80/44/11/662804411.db2.gz JOJXXTYATKPBNB-NSHDSACASA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991181758 663127056 /nfs/dbraw/zinc/12/70/56/663127056.db2.gz YVCXWXFLFBNXEC-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991178791 663127077 /nfs/dbraw/zinc/12/70/77/663127077.db2.gz HOGPHHASOFJNID-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)C1 ZINC000991184538 663127368 /nfs/dbraw/zinc/12/73/68/663127368.db2.gz XYXTYDIULIKAQB-NSHDSACASA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)C1 ZINC000991184538 663127370 /nfs/dbraw/zinc/12/73/70/663127370.db2.gz XYXTYDIULIKAQB-NSHDSACASA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001038380091 663127647 /nfs/dbraw/zinc/12/76/47/663127647.db2.gz ZDRQFFCUZIARRD-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001038380091 663127650 /nfs/dbraw/zinc/12/76/50/663127650.db2.gz ZDRQFFCUZIARRD-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1c[nH]nc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991242076 663128529 /nfs/dbraw/zinc/12/85/29/663128529.db2.gz LZWWESQVGIPPCR-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]nc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991242076 663128532 /nfs/dbraw/zinc/12/85/32/663128532.db2.gz LZWWESQVGIPPCR-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC000910412797 663129032 /nfs/dbraw/zinc/12/90/32/663129032.db2.gz DGGKPHLIZPDTQE-JTQLQIEISA-N 1 1 310.354 -1.099 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CCNC(=O)CO)CC[N@@H+](C)C1 ZINC000910413214 663129178 /nfs/dbraw/zinc/12/91/78/663129178.db2.gz LKXTULQKXZVHHC-JTQLQIEISA-N 1 1 301.343 -1.952 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC000910412798 663129231 /nfs/dbraw/zinc/12/92/31/663129231.db2.gz DGGKPHLIZPDTQE-SNVBAGLBSA-N 1 1 310.354 -1.099 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000910549500 663129738 /nfs/dbraw/zinc/12/97/38/663129738.db2.gz KVPCGZDCZYQCSC-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000910549500 663129741 /nfs/dbraw/zinc/12/97/41/663129741.db2.gz KVPCGZDCZYQCSC-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000910549525 663129894 /nfs/dbraw/zinc/12/98/94/663129894.db2.gz KVPCGZDCZYQCSC-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000910549525 663129895 /nfs/dbraw/zinc/12/98/95/663129895.db2.gz KVPCGZDCZYQCSC-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](CO)[C@H](O)C3)C[C@]2(C)C1 ZINC000910720774 663131956 /nfs/dbraw/zinc/13/19/56/663131956.db2.gz FSNQLNJNWVFJNF-BLTAXRJOSA-N 1 1 311.382 -1.792 20 0 DAADMO CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000910729521 663132327 /nfs/dbraw/zinc/13/23/27/663132327.db2.gz MXXJFNOOBQMPNI-BFQNTYOBSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929023 663134579 /nfs/dbraw/zinc/13/45/79/663134579.db2.gz SVQYQCCBQSEGAO-GHMZBOCLSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929023 663134580 /nfs/dbraw/zinc/13/45/80/663134580.db2.gz SVQYQCCBQSEGAO-GHMZBOCLSA-N 1 1 319.427 -1.209 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910927993 663134591 /nfs/dbraw/zinc/13/45/91/663134591.db2.gz XTOMKVHBFHMQIG-OLZOCXBDSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000910994106 663135358 /nfs/dbraw/zinc/13/53/58/663135358.db2.gz VUAXCNXABIYUPM-NEPJUHHUSA-N 1 1 314.386 -1.521 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911029503 663135704 /nfs/dbraw/zinc/13/57/04/663135704.db2.gz CLFSOHBURIDUBO-BBRMVZONSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911031293 663135846 /nfs/dbraw/zinc/13/58/46/663135846.db2.gz PIEROBRLPIUEEG-NEPJUHHUSA-N 1 1 311.430 -1.537 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911032385 663135955 /nfs/dbraw/zinc/13/59/55/663135955.db2.gz UDLBDCVKTUXHEX-RYUDHWBXSA-N 1 1 311.430 -1.456 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000911073873 663136270 /nfs/dbraw/zinc/13/62/70/663136270.db2.gz XBICDFZDWFFPKM-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911072702 663136451 /nfs/dbraw/zinc/13/64/51/663136451.db2.gz NDDWIBUIRCVZGQ-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911072702 663136453 /nfs/dbraw/zinc/13/64/53/663136453.db2.gz NDDWIBUIRCVZGQ-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000911073864 663136480 /nfs/dbraw/zinc/13/64/80/663136480.db2.gz XBICDFZDWFFPKM-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000911071694 663136489 /nfs/dbraw/zinc/13/64/89/663136489.db2.gz CZFKCCONUXYUPQ-CYBMUJFWSA-N 1 1 323.441 -1.121 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911072704 663136700 /nfs/dbraw/zinc/13/67/00/663136700.db2.gz NDDWIBUIRCVZGQ-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000911072704 663136702 /nfs/dbraw/zinc/13/67/02/663136702.db2.gz NDDWIBUIRCVZGQ-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911155779 663138074 /nfs/dbraw/zinc/13/80/74/663138074.db2.gz LLQWVCLUUCYSMJ-NSHDSACASA-N 1 1 300.403 -1.205 20 0 DAADMO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000911273200 663140255 /nfs/dbraw/zinc/14/02/55/663140255.db2.gz JFIRABHANKDHEM-RDBSUJKOSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000911273195 663140437 /nfs/dbraw/zinc/14/04/37/663140437.db2.gz JFIRABHANKDHEM-HZSPNIEDSA-N 1 1 324.425 -1.103 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911243734 663140676 /nfs/dbraw/zinc/14/06/76/663140676.db2.gz ZDXAMEFINCHECA-BFHYXJOUSA-N 1 1 324.425 -1.109 20 0 DAADMO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911296693 663141245 /nfs/dbraw/zinc/14/12/45/663141245.db2.gz KEOTYLURSAEZGF-RYUDHWBXSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911282984 663141629 /nfs/dbraw/zinc/14/16/29/663141629.db2.gz FPROWPDVGUUCPL-UONOGXRCSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911282477 663141712 /nfs/dbraw/zinc/14/17/12/663141712.db2.gz QZZWKCUTDWZGRR-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1ccc(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991315686 663141968 /nfs/dbraw/zinc/14/19/68/663141968.db2.gz KBUKBRDEZJZJDE-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1ccc(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991315686 663141971 /nfs/dbraw/zinc/14/19/71/663141971.db2.gz KBUKBRDEZJZJDE-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2COCCN2)c1 ZINC000911345825 663142873 /nfs/dbraw/zinc/14/28/73/663142873.db2.gz CQBQHDVNNKAWRP-GFCCVEGCSA-N 1 1 321.381 -1.132 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)C[NH+](C)C ZINC000911345954 663142982 /nfs/dbraw/zinc/14/29/82/663142982.db2.gz LZPSHRQARDRWCO-NWDGAFQWSA-N 1 1 316.402 -1.826 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911414735 663143357 /nfs/dbraw/zinc/14/33/57/663143357.db2.gz PFEOBXLMFYUZBL-HBNTYKKESA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911414735 663143360 /nfs/dbraw/zinc/14/33/60/663143360.db2.gz PFEOBXLMFYUZBL-HBNTYKKESA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911414730 663143717 /nfs/dbraw/zinc/14/37/17/663143717.db2.gz PFEOBXLMFYUZBL-DCAQKATOSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911414730 663143720 /nfs/dbraw/zinc/14/37/20/663143720.db2.gz PFEOBXLMFYUZBL-DCAQKATOSA-N 1 1 314.411 -1.298 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911366815 663143793 /nfs/dbraw/zinc/14/37/93/663143793.db2.gz JRAJYDQGGDVVOP-MQYQWHSLSA-N 1 1 324.425 -1.232 20 0 DAADMO CN1CCC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411526 663144187 /nfs/dbraw/zinc/14/41/87/663144187.db2.gz PPPOWHNHWGQGOQ-CYBMUJFWSA-N 1 1 311.430 -1.264 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911465548 663145823 /nfs/dbraw/zinc/14/58/23/663145823.db2.gz SXPHOIFEYHQNGM-QJPTWQEYSA-N 1 1 312.370 -1.936 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911465550 663146049 /nfs/dbraw/zinc/14/60/49/663146049.db2.gz SXPHOIFEYHQNGM-SRVKXCTJSA-N 1 1 312.370 -1.936 20 0 DAADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CNOC1 ZINC000911470914 663146478 /nfs/dbraw/zinc/14/64/78/663146478.db2.gz YTMOSCROFMPABM-MNOVXSKESA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CNOC1 ZINC000911470914 663146480 /nfs/dbraw/zinc/14/64/80/663146480.db2.gz YTMOSCROFMPABM-MNOVXSKESA-N 1 1 314.386 -1.690 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911471386 663146627 /nfs/dbraw/zinc/14/66/27/663146627.db2.gz UADFZWBUIICEDE-LBPRGKRZSA-N 1 1 313.402 -1.898 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CNOC2)CC[N@@H+]1CC(C)(C)O ZINC000911462071 663146840 /nfs/dbraw/zinc/14/68/40/663146840.db2.gz RYWAAXZVRWAIGE-GHMZBOCLSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CNOC2)CC[N@H+]1CC(C)(C)O ZINC000911462071 663146842 /nfs/dbraw/zinc/14/68/42/663146842.db2.gz RYWAAXZVRWAIGE-GHMZBOCLSA-N 1 1 314.386 -1.690 20 0 DAADMO NOCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911507393 663147915 /nfs/dbraw/zinc/14/79/15/663147915.db2.gz WOWHQMDDSRKERX-GFCCVEGCSA-N 1 1 314.386 -1.436 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCON)CC1 ZINC000911516807 663148130 /nfs/dbraw/zinc/14/81/30/663148130.db2.gz OEOKORVZGQJPKS-UHFFFAOYSA-N 1 1 316.402 -1.048 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000911608167 663149623 /nfs/dbraw/zinc/14/96/23/663149623.db2.gz ZUSINGAOMNYUTO-DEKYYXRVSA-N 1 1 300.355 -1.176 20 0 DAADMO O=C(CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000911701861 663150398 /nfs/dbraw/zinc/15/03/98/663150398.db2.gz GBNDMCMMVHPLTR-CQSZACIVSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000911703063 663150618 /nfs/dbraw/zinc/15/06/18/663150618.db2.gz VBDIACBTMUEECA-UONOGXRCSA-N 1 1 323.441 -1.440 20 0 DAADMO O=C(CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCNCC1 ZINC000911701860 663150661 /nfs/dbraw/zinc/15/06/61/663150661.db2.gz GBNDMCMMVHPLTR-AWEZNQCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000911703064 663150722 /nfs/dbraw/zinc/15/07/22/663150722.db2.gz VBDIACBTMUEECA-ZIAGYGMSSA-N 1 1 323.441 -1.440 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000911885144 663151692 /nfs/dbraw/zinc/15/16/92/663151692.db2.gz VQLVKYBQIATMGE-FOGDFJRCSA-N 1 1 305.400 -1.408 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912396468 663152989 /nfs/dbraw/zinc/15/29/89/663152989.db2.gz PKYRZTKBAFSLRR-RYUDHWBXSA-N 1 1 319.427 -1.592 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912396468 663152990 /nfs/dbraw/zinc/15/29/90/663152990.db2.gz PKYRZTKBAFSLRR-RYUDHWBXSA-N 1 1 319.427 -1.592 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000912394251 663152993 /nfs/dbraw/zinc/15/29/93/663152993.db2.gz DKNCJHUARFGYOW-NQBHXWOUSA-N 1 1 320.411 -1.239 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000912387865 663153371 /nfs/dbraw/zinc/15/33/71/663153371.db2.gz CLEPKTITCFJYDM-XBFCOCLRSA-N 1 1 302.371 -1.274 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000912387865 663153373 /nfs/dbraw/zinc/15/33/73/663153373.db2.gz CLEPKTITCFJYDM-XBFCOCLRSA-N 1 1 302.371 -1.274 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)C1(n2cnnn2)CCOCC1 ZINC000912600143 663154065 /nfs/dbraw/zinc/15/40/65/663154065.db2.gz RYEUKNHMPVOIBP-UHFFFAOYSA-N 1 1 312.374 -1.439 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@H](Cn3ccnn3)C2)C1 ZINC000912676546 663154528 /nfs/dbraw/zinc/15/45/28/663154528.db2.gz BLQQYDSACYHVHR-AWEZNQCLSA-N 1 1 322.413 -1.001 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912746169 663154831 /nfs/dbraw/zinc/15/48/31/663154831.db2.gz CHWKALITKVIIEI-SECBINFHSA-N 1 1 300.388 -1.173 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912746169 663154834 /nfs/dbraw/zinc/15/48/34/663154834.db2.gz CHWKALITKVIIEI-SECBINFHSA-N 1 1 300.388 -1.173 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](CO)C1 ZINC000912748818 663155757 /nfs/dbraw/zinc/15/57/57/663155757.db2.gz HCDOCWTUYYRVPM-IAQYHMDHSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](CO)C1 ZINC000912748818 663155758 /nfs/dbraw/zinc/15/57/58/663155758.db2.gz HCDOCWTUYYRVPM-IAQYHMDHSA-N 1 1 324.381 -1.158 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)nc2C1 ZINC000913196250 663156603 /nfs/dbraw/zinc/15/66/03/663156603.db2.gz LCRVENDINXCOHB-IAQYHMDHSA-N 1 1 324.381 -1.075 20 0 DAADMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913191427 663156633 /nfs/dbraw/zinc/15/66/33/663156633.db2.gz RLPNWDUMBVFRMD-PWSUYJOCSA-N 1 1 303.384 -1.625 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186194 663156683 /nfs/dbraw/zinc/15/66/83/663156683.db2.gz AUJTVNVYBIOQBI-CQSZACIVSA-N 1 1 312.370 -1.117 20 0 DAADMO COC(=O)CSCCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189479 663156793 /nfs/dbraw/zinc/15/67/93/663156793.db2.gz XQHHXFNPMCOGCB-LBPRGKRZSA-N 1 1 306.384 -1.250 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC12COCCN1CCOC2 ZINC000913296767 663157080 /nfs/dbraw/zinc/15/70/80/663157080.db2.gz RUPCEBHXFJMFNQ-TZMCWYRMSA-N 1 1 313.398 -1.341 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030029644 663157361 /nfs/dbraw/zinc/15/73/61/663157361.db2.gz KYHNKTSPAKYMGY-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030029644 663157362 /nfs/dbraw/zinc/15/73/62/663157362.db2.gz KYHNKTSPAKYMGY-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000913437156 663157604 /nfs/dbraw/zinc/15/76/04/663157604.db2.gz PDCTXMRSPQMAJO-JUTUQKRISA-N 1 1 309.366 -1.047 20 0 DAADMO C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@@H]1CO ZINC000913539644 663158595 /nfs/dbraw/zinc/15/85/95/663158595.db2.gz DGCMYFCIRKNLFB-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@@H]1CO ZINC000913539644 663158596 /nfs/dbraw/zinc/15/85/96/663158596.db2.gz DGCMYFCIRKNLFB-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)c1=O ZINC000991469072 663158740 /nfs/dbraw/zinc/15/87/40/663158740.db2.gz DDDJWNVPNXAWSM-QMTHXVAHSA-N 1 1 322.369 -1.820 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)c1=O ZINC000991469072 663158741 /nfs/dbraw/zinc/15/87/41/663158741.db2.gz DDDJWNVPNXAWSM-QMTHXVAHSA-N 1 1 322.369 -1.820 20 0 DAADMO CN1CCN(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)CC1=O ZINC000991475627 663159277 /nfs/dbraw/zinc/15/92/77/663159277.db2.gz SWLYRGMWPZNWHZ-CZUORRHYSA-N 1 1 324.425 -1.134 20 0 DAADMO CN1CCN(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1=O ZINC000991475630 663159302 /nfs/dbraw/zinc/15/93/02/663159302.db2.gz SWLYRGMWPZNWHZ-XJKSGUPXSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030034341 663160714 /nfs/dbraw/zinc/16/07/14/663160714.db2.gz FPWKCSBXRVLQNC-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030034341 663160716 /nfs/dbraw/zinc/16/07/16/663160716.db2.gz FPWKCSBXRVLQNC-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030035797 663161500 /nfs/dbraw/zinc/16/15/00/663161500.db2.gz KYHNKTSPAKYMGY-SRVKXCTJSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030035797 663161507 /nfs/dbraw/zinc/16/15/07/663161507.db2.gz KYHNKTSPAKYMGY-SRVKXCTJSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030155707 663166975 /nfs/dbraw/zinc/16/69/75/663166975.db2.gz RGAXCQYYZCHTJY-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@H]1CCC(=O)N1 ZINC001030156669 663167556 /nfs/dbraw/zinc/16/75/56/663167556.db2.gz LAUNWZHQQXVELL-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185139 663169273 /nfs/dbraw/zinc/16/92/73/663169273.db2.gz ZZLPOIQPLFXXQK-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185139 663169278 /nfs/dbraw/zinc/16/92/78/663169278.db2.gz ZZLPOIQPLFXXQK-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001030181388 663169564 /nfs/dbraw/zinc/16/95/64/663169564.db2.gz DAAXUZDKAZPAAY-NSHDSACASA-N 1 1 305.400 -1.838 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001030181388 663169566 /nfs/dbraw/zinc/16/95/66/663169566.db2.gz DAAXUZDKAZPAAY-NSHDSACASA-N 1 1 305.400 -1.838 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C3CC3)C2)C1 ZINC001030183112 663169578 /nfs/dbraw/zinc/16/95/78/663169578.db2.gz PIDJLSCDQGJYQS-LBPRGKRZSA-N 1 1 321.385 -1.361 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C3CC3)C2)C1 ZINC001030183112 663169580 /nfs/dbraw/zinc/16/95/80/663169580.db2.gz PIDJLSCDQGJYQS-LBPRGKRZSA-N 1 1 321.385 -1.361 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001030180387 663169735 /nfs/dbraw/zinc/16/97/35/663169735.db2.gz QRGIQCDWUHHIKD-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001030180387 663169737 /nfs/dbraw/zinc/16/97/37/663169737.db2.gz QRGIQCDWUHHIKD-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CCn1ncnc1CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030182447 663169915 /nfs/dbraw/zinc/16/99/15/663169915.db2.gz LQIMUKYVMLRJCW-GFCCVEGCSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncnc1CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030182447 663169916 /nfs/dbraw/zinc/16/99/16/663169916.db2.gz LQIMUKYVMLRJCW-GFCCVEGCSA-N 1 1 308.386 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCN3CCNC3=O)C2)C1 ZINC001030181170 663169992 /nfs/dbraw/zinc/16/99/92/663169992.db2.gz AWGMJJZNFUQDNP-LBPRGKRZSA-N 1 1 311.386 -1.857 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCN3CCNC3=O)C2)C1 ZINC001030181170 663169997 /nfs/dbraw/zinc/16/99/97/663169997.db2.gz AWGMJJZNFUQDNP-LBPRGKRZSA-N 1 1 311.386 -1.857 20 0 DAADMO CN(C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001030180873 663170056 /nfs/dbraw/zinc/17/00/56/663170056.db2.gz ZMGJYOFJRPUPAH-ZDUSSCGKSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001030180873 663170057 /nfs/dbraw/zinc/17/00/57/663170057.db2.gz ZMGJYOFJRPUPAH-ZDUSSCGKSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001030335753 663179548 /nfs/dbraw/zinc/17/95/48/663179548.db2.gz BMSIRDYVEUNMHB-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1cnnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030349049 663180802 /nfs/dbraw/zinc/18/08/02/663180802.db2.gz ZGNGJMGZOVYAPH-STQMWFEESA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030349082 663180909 /nfs/dbraw/zinc/18/09/09/663180909.db2.gz ZQGVNAFEIMFNNN-NEPJUHHUSA-N 1 1 321.385 -1.626 20 0 DAADMO Cn1cc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001030347980 663180920 /nfs/dbraw/zinc/18/09/20/663180920.db2.gz QLPUBBMGVZACEH-KBPBESRZSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1ncc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001030346794 663181021 /nfs/dbraw/zinc/18/10/21/663181021.db2.gz DWQZLSHUGBUHHN-ZIAGYGMSSA-N 1 1 320.397 -1.021 20 0 DAADMO O=C(CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001030348204 663181062 /nfs/dbraw/zinc/18/10/62/663181062.db2.gz RUPDHPWCUFYDLV-KGLIPLIRSA-N 1 1 322.409 -1.118 20 0 DAADMO Cn1cnnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030349045 663181077 /nfs/dbraw/zinc/18/10/77/663181077.db2.gz ZGNGJMGZOVYAPH-CHWSQXEVSA-N 1 1 320.397 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000991709572 663183918 /nfs/dbraw/zinc/18/39/18/663183918.db2.gz KMDIAJZHZTTZSM-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000991708680 663184128 /nfs/dbraw/zinc/18/41/28/663184128.db2.gz HZYLPMNOUPCQIJ-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000991709763 663184182 /nfs/dbraw/zinc/18/41/82/663184182.db2.gz LKQDRQYFMYOHOZ-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000991708667 663184261 /nfs/dbraw/zinc/18/42/61/663184261.db2.gz HZYLPMNOUPCQIJ-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991714253 663185078 /nfs/dbraw/zinc/18/50/78/663185078.db2.gz XOPVJIXFLSKCOD-LLVKDONJSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991713947 663185176 /nfs/dbraw/zinc/18/51/76/663185176.db2.gz XAUFGEOEFCVXSS-WCQYABFASA-N 1 1 310.398 -1.404 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991714257 663185252 /nfs/dbraw/zinc/18/52/52/663185252.db2.gz XOPVJIXFLSKCOD-NSHDSACASA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n(C)c1=O ZINC000991718115 663185506 /nfs/dbraw/zinc/18/55/06/663185506.db2.gz HXNOCUFYTBETQF-JTQLQIEISA-N 1 1 321.381 -1.384 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991720580 663186538 /nfs/dbraw/zinc/18/65/38/663186538.db2.gz ARNOCUAVIBOPRS-RTXFEEFZSA-N 1 1 322.409 -1.011 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000991721134 663186587 /nfs/dbraw/zinc/18/65/87/663186587.db2.gz MJGRFCVLESCPPN-ONGXEEELSA-N 1 1 309.370 -1.711 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000991721127 663186603 /nfs/dbraw/zinc/18/66/03/663186603.db2.gz MJGRFCVLESCPPN-KOLCDFICSA-N 1 1 309.370 -1.711 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722547 663186711 /nfs/dbraw/zinc/18/67/11/663186711.db2.gz PIRCJRJQUKBUSU-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991724581 663187074 /nfs/dbraw/zinc/18/70/74/663187074.db2.gz VOOSDISFXLMUPW-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991724579 663187342 /nfs/dbraw/zinc/18/73/42/663187342.db2.gz VOOSDISFXLMUPW-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000991725076 663187749 /nfs/dbraw/zinc/18/77/49/663187749.db2.gz WDDWEPSDFXGQFV-JQWIXIFHSA-N 1 1 323.397 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000991727025 663188071 /nfs/dbraw/zinc/18/80/71/663188071.db2.gz KDQNNPARHGSJMW-BONVTDFDSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000991725272 663188339 /nfs/dbraw/zinc/18/83/39/663188339.db2.gz YOXMPJKYMFIQOP-JTQLQIEISA-N 1 1 322.365 -1.586 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000991739675 663191561 /nfs/dbraw/zinc/19/15/61/663191561.db2.gz PYGQVWSIVZTDOM-VHSXEESVSA-N 1 1 317.411 -1.302 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000991739656 663191655 /nfs/dbraw/zinc/19/16/55/663191655.db2.gz PYGQVWSIVZTDOM-NXEZZACHSA-N 1 1 317.411 -1.302 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000991739674 663191820 /nfs/dbraw/zinc/19/18/20/663191820.db2.gz PYGQVWSIVZTDOM-UWVGGRQHSA-N 1 1 317.411 -1.302 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCO)[C@H](C)C2)c(=O)n1C ZINC000947983530 663192139 /nfs/dbraw/zinc/19/21/39/663192139.db2.gz BPENNVTUSOGFCH-ZYHUDNBSSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000991750689 663193277 /nfs/dbraw/zinc/19/32/77/663193277.db2.gz SFWYJWJIMHWOHI-JTQLQIEISA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000991758027 663194484 /nfs/dbraw/zinc/19/44/84/663194484.db2.gz YXWQSAXIBKVKEK-UHFFFAOYSA-N 1 1 314.367 -1.437 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000991763476 663194750 /nfs/dbraw/zinc/19/47/50/663194750.db2.gz ZYVGPDONPCTEQE-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO NC(=O)CN1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030439795 663194796 /nfs/dbraw/zinc/19/47/96/663194796.db2.gz JZDKIDZBWNIJHL-ZDUSSCGKSA-N 1 1 310.398 -1.085 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000953680729 663194960 /nfs/dbraw/zinc/19/49/60/663194960.db2.gz PBSWJSYPHHLMGY-NSHDSACASA-N 1 1 307.358 -1.564 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC000947986551 663195823 /nfs/dbraw/zinc/19/58/23/663195823.db2.gz YGRKNBCIIQLXEC-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC000947986551 663195824 /nfs/dbraw/zinc/19/58/24/663195824.db2.gz YGRKNBCIIQLXEC-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)O1 ZINC001030515556 663199431 /nfs/dbraw/zinc/19/94/31/663199431.db2.gz AJUITFWEVLXSSL-ZYHUDNBSSA-N 1 1 319.427 -1.450 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)O1 ZINC001030515556 663199433 /nfs/dbraw/zinc/19/94/33/663199433.db2.gz AJUITFWEVLXSSL-ZYHUDNBSSA-N 1 1 319.427 -1.450 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3ncnn3C)C2)O1 ZINC001030516075 663199450 /nfs/dbraw/zinc/19/94/50/663199450.db2.gz SHNHMMAJOMWOCC-ZYHUDNBSSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3ncnn3C)C2)O1 ZINC001030516075 663199453 /nfs/dbraw/zinc/19/94/53/663199453.db2.gz SHNHMMAJOMWOCC-ZYHUDNBSSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)O1 ZINC001030515924 663199631 /nfs/dbraw/zinc/19/96/31/663199631.db2.gz NUROJADUJNRGFA-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)O1 ZINC001030515924 663199632 /nfs/dbraw/zinc/19/96/32/663199632.db2.gz NUROJADUJNRGFA-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)O1 ZINC001030515688 663199674 /nfs/dbraw/zinc/19/96/74/663199674.db2.gz FXLDWEMIOGGRSP-MWLCHTKSSA-N 1 1 309.374 -1.770 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)O1 ZINC001030515688 663199675 /nfs/dbraw/zinc/19/96/75/663199675.db2.gz FXLDWEMIOGGRSP-MWLCHTKSSA-N 1 1 309.374 -1.770 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001030584835 663202154 /nfs/dbraw/zinc/20/21/54/663202154.db2.gz IGORNNITTSMFOG-UHFFFAOYSA-N 1 1 320.357 -1.126 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991875015 663203444 /nfs/dbraw/zinc/20/34/44/663203444.db2.gz MLBFREJHPFLGQR-GFCCVEGCSA-N 1 1 321.385 -1.127 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991878820 663205572 /nfs/dbraw/zinc/20/55/72/663205572.db2.gz JAKSWKZWDGQAPP-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991880308 663206170 /nfs/dbraw/zinc/20/61/70/663206170.db2.gz LUIWNNYZWHKFMN-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@@H+]1CC(N)=O ZINC000948013076 663207994 /nfs/dbraw/zinc/20/79/94/663207994.db2.gz SQKMPGADYZPCCU-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(N)=O ZINC000948013076 663207997 /nfs/dbraw/zinc/20/79/97/663207997.db2.gz SQKMPGADYZPCCU-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030684753 663213254 /nfs/dbraw/zinc/21/32/54/663213254.db2.gz RAZSBKPIBHJFDG-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO Cn1[nH]c(CN2CC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001038094999 663214775 /nfs/dbraw/zinc/21/47/75/663214775.db2.gz IRLMPHKCCGUTAN-QWRGUYRKSA-N 1 1 308.386 -1.107 20 0 DAADMO CNC(=O)CN1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704223 663215090 /nfs/dbraw/zinc/21/50/90/663215090.db2.gz ZFVXFIXRKBRIIJ-JYHUIVOISA-N 1 1 308.382 -1.604 20 0 DAADMO Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991986590 663215904 /nfs/dbraw/zinc/21/59/04/663215904.db2.gz WGZDFIKWGWDCDX-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991986590 663215906 /nfs/dbraw/zinc/21/59/06/663215906.db2.gz WGZDFIKWGWDCDX-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO C[C@H](C(N)=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704755 663216068 /nfs/dbraw/zinc/21/60/68/663216068.db2.gz IKFSVEZRAIJDFK-XEOUCCKCSA-N 1 1 308.382 -1.476 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705674 663216203 /nfs/dbraw/zinc/21/62/03/663216203.db2.gz HIWUORKKEZTHBB-RYCVTPFZSA-N 1 1 322.409 -1.262 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015007766 663219266 /nfs/dbraw/zinc/21/92/66/663219266.db2.gz HHLQGXWVIGZTMO-VHSXEESVSA-N 1 1 308.342 -2.339 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015007766 663219270 /nfs/dbraw/zinc/21/92/70/663219270.db2.gz HHLQGXWVIGZTMO-VHSXEESVSA-N 1 1 308.342 -2.339 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3CN(C)CCO3)C2)CC[N@H+]1C ZINC000992088673 663219572 /nfs/dbraw/zinc/21/95/72/663219572.db2.gz ZAXYVDOLYDQTIR-BNOWGMLFSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3CN(C)CCO3)C2)CC[N@H+]1C ZINC000992088675 663219853 /nfs/dbraw/zinc/21/98/53/663219853.db2.gz ZAXYVDOLYDQTIR-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)CC[N@H+]1C ZINC000992086663 663220213 /nfs/dbraw/zinc/22/02/13/663220213.db2.gz FYOUYSNNVHYLTL-FBIMIBRVSA-N 1 1 310.354 -1.238 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992106878 663220295 /nfs/dbraw/zinc/22/02/95/663220295.db2.gz HVSBUJCGNXANKO-SWLSCSKDSA-N 1 1 310.398 -1.476 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992106872 663220303 /nfs/dbraw/zinc/22/03/03/663220303.db2.gz HVSBUJCGNXANKO-DOMZBBRYSA-N 1 1 310.398 -1.476 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107579 663220319 /nfs/dbraw/zinc/22/03/19/663220319.db2.gz LQNZYOKWPYEYOI-IAQYHMDHSA-N 1 1 323.397 -1.983 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107579 663220326 /nfs/dbraw/zinc/22/03/26/663220326.db2.gz LQNZYOKWPYEYOI-IAQYHMDHSA-N 1 1 323.397 -1.983 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3COCCN3C)C2)CC[N@H+]1C ZINC000992087765 663220696 /nfs/dbraw/zinc/22/06/96/663220696.db2.gz QLYRPNOVVNHNSF-BNOWGMLFSA-N 1 1 324.425 -1.016 20 0 DAADMO Cn1nnc(C(=O)NC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000992119291 663221460 /nfs/dbraw/zinc/22/14/60/663221460.db2.gz IDNIMIBFKSCZLO-YVNMAJEFSA-N 1 1 321.385 -1.214 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@@H]1[N@@H+](CCCO)CC2 ZINC000992111370 663221475 /nfs/dbraw/zinc/22/14/75/663221475.db2.gz XXCANXQDGNNKON-BBRMVZONSA-N 1 1 324.425 -1.086 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125696 663221645 /nfs/dbraw/zinc/22/16/45/663221645.db2.gz DLZDFQGLAJTPGO-FIXISWKDSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@@H]2CCNC2=O)CC3)n1 ZINC000992134014 663221709 /nfs/dbraw/zinc/22/17/09/663221709.db2.gz SLCGFZXAWQVYNZ-RULNRJAQSA-N 1 1 319.369 -1.175 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2[N@H+]([C@H]2CCNC2=O)CC3)n1 ZINC000992134012 663221959 /nfs/dbraw/zinc/22/19/59/663221959.db2.gz SLCGFZXAWQVYNZ-RBZYPMLTSA-N 1 1 319.369 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@@H]12 ZINC000992125699 663222026 /nfs/dbraw/zinc/22/20/26/663222026.db2.gz DLZDFQGLAJTPGO-UEKVPHQBSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@@H]2CCNC2=O)CC3)n1 ZINC000992134008 663222088 /nfs/dbraw/zinc/22/20/88/663222088.db2.gz SLCGFZXAWQVYNZ-BFVZDQMLSA-N 1 1 319.369 -1.175 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@H]12 ZINC000992139940 663223097 /nfs/dbraw/zinc/22/30/97/663223097.db2.gz BCMSRTUJFOLXOK-ZIBATOQPSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)NC1=O ZINC001030792798 663223308 /nfs/dbraw/zinc/22/33/08/663223308.db2.gz AVYYTKHMNMEHIG-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992145665 663223572 /nfs/dbraw/zinc/22/35/72/663223572.db2.gz QDFQATAVUZDWNY-FZNYLWTLSA-N 1 1 308.338 -1.610 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@H]12 ZINC000992146485 663223658 /nfs/dbraw/zinc/22/36/58/663223658.db2.gz KXRHIMAIWCZZPS-HZMBPMFUSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@H]12 ZINC000992146485 663223662 /nfs/dbraw/zinc/22/36/62/663223662.db2.gz KXRHIMAIWCZZPS-HZMBPMFUSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160501 663224569 /nfs/dbraw/zinc/22/45/69/663224569.db2.gz NTKMBXHFQOPNPY-XHDPSFHLSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160501 663224570 /nfs/dbraw/zinc/22/45/70/663224570.db2.gz NTKMBXHFQOPNPY-XHDPSFHLSA-N 1 1 324.381 -1.556 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)C1 ZINC000992162207 663224576 /nfs/dbraw/zinc/22/45/76/663224576.db2.gz OUQRAWUFYOYCDV-ILDUYXDCSA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)C1 ZINC000992162207 663224577 /nfs/dbraw/zinc/22/45/77/663224577.db2.gz OUQRAWUFYOYCDV-ILDUYXDCSA-N 1 1 312.370 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12 ZINC000992179123 663225087 /nfs/dbraw/zinc/22/50/87/663225087.db2.gz MMNZDEPKELWPEE-JNIYBQFBSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC000992170394 663225216 /nfs/dbraw/zinc/22/52/16/663225216.db2.gz MSFVKYKOSHFODY-BMIGLBTASA-N 1 1 322.365 -1.266 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@H]12 ZINC000992179120 663225244 /nfs/dbraw/zinc/22/52/44/663225244.db2.gz MMNZDEPKELWPEE-DZHLUBAWSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000992177834 663225397 /nfs/dbraw/zinc/22/53/97/663225397.db2.gz YEWAQJGNRFGYJH-JMSVASOKSA-N 1 1 321.381 -1.158 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030838102 663226892 /nfs/dbraw/zinc/22/68/92/663226892.db2.gz ZXVQRPJGCIAZDH-GFCCVEGCSA-N 1 1 323.401 -1.380 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030838102 663226896 /nfs/dbraw/zinc/22/68/96/663226896.db2.gz ZXVQRPJGCIAZDH-GFCCVEGCSA-N 1 1 323.401 -1.380 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@@H]1CNC(=O)N1 ZINC001030878349 663230113 /nfs/dbraw/zinc/23/01/13/663230113.db2.gz NIXBCYYCHOJJCO-KOLCDFICSA-N 1 1 309.370 -1.616 20 0 DAADMO Cn1nnc(C(=O)NCC2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000992304635 663231517 /nfs/dbraw/zinc/23/15/17/663231517.db2.gz DCNYUYNTNKZCEH-VQXHTEKXSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C(=O)CN1CCOCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954100540 663232134 /nfs/dbraw/zinc/23/21/34/663232134.db2.gz UVBBBAJKGLPWJS-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)CC[N@H+]1C ZINC000992320890 663232378 /nfs/dbraw/zinc/23/23/78/663232378.db2.gz YXKFDGLJLLOZHG-ZYHUDNBSSA-N 1 1 306.370 -1.055 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992313855 663232578 /nfs/dbraw/zinc/23/25/78/663232578.db2.gz BAYUPPURJIGXDB-YMTOWFKASA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992313855 663232587 /nfs/dbraw/zinc/23/25/87/663232587.db2.gz BAYUPPURJIGXDB-YMTOWFKASA-N 1 1 323.353 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137265 663233208 /nfs/dbraw/zinc/23/32/08/663233208.db2.gz LMFCMTOXYPRVET-RKDXNWHRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137265 663233209 /nfs/dbraw/zinc/23/32/09/663233209.db2.gz LMFCMTOXYPRVET-RKDXNWHRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[NH+](C)C[C@H]1NC(=O)N(CCCN2CCC[C@H]2C(N)=O)C1=O ZINC000925393187 663234088 /nfs/dbraw/zinc/23/40/88/663234088.db2.gz NLRRRKHIPOTPOT-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1=O ZINC000992392473 663234130 /nfs/dbraw/zinc/23/41/30/663234130.db2.gz BFVZSYAGNLNHPO-NHYWBVRUSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)C1=O ZINC000992392460 663234157 /nfs/dbraw/zinc/23/41/57/663234157.db2.gz BFVZSYAGNLNHPO-ABAIWWIYSA-N 1 1 324.381 -1.014 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000992390462 663234674 /nfs/dbraw/zinc/23/46/74/663234674.db2.gz CMGHPLAPVLEKAP-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1nc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)ccc1=O ZINC000992457260 663235630 /nfs/dbraw/zinc/23/56/30/663235630.db2.gz UDHHEVSMIYSBJT-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1nc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)ccc1=O ZINC000992457260 663235632 /nfs/dbraw/zinc/23/56/32/663235632.db2.gz UDHHEVSMIYSBJT-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)C1=O ZINC000992462533 663235979 /nfs/dbraw/zinc/23/59/79/663235979.db2.gz HTCJWMOUPOJEJD-IAQYHMDHSA-N 1 1 324.381 -1.014 20 0 DAADMO Cc1nn(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)c(=O)n1C ZINC000992462725 663236153 /nfs/dbraw/zinc/23/61/53/663236153.db2.gz ZVIHKXHENOZKQT-SWLSCSKDSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1nn(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)c(=O)n1C ZINC000992462721 663236387 /nfs/dbraw/zinc/23/63/87/663236387.db2.gz ZVIHKXHENOZKQT-IUODEOHRSA-N 1 1 323.397 -1.004 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000913776430 663236555 /nfs/dbraw/zinc/23/65/55/663236555.db2.gz NBYMJGFDTRXNAH-JTNHKYCSSA-N 1 1 300.355 -1.032 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)nn1 ZINC000992525265 663237646 /nfs/dbraw/zinc/23/76/46/663237646.db2.gz KNEGNAARJMUXSG-SMDDNHRTSA-N 1 1 322.369 -1.518 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523854 663237675 /nfs/dbraw/zinc/23/76/75/663237675.db2.gz JPMVDFMEHGCJKT-IAQYHMDHSA-N 1 1 321.381 -1.064 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523854 663237679 /nfs/dbraw/zinc/23/76/79/663237679.db2.gz JPMVDFMEHGCJKT-IAQYHMDHSA-N 1 1 321.381 -1.064 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007116215 663237740 /nfs/dbraw/zinc/23/77/40/663237740.db2.gz HXGUITYWWRCYGE-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007116215 663237741 /nfs/dbraw/zinc/23/77/41/663237741.db2.gz HXGUITYWWRCYGE-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992545020 663238043 /nfs/dbraw/zinc/23/80/43/663238043.db2.gz JAZQXUFNWIDQCL-HFBDOXOYSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992545020 663238047 /nfs/dbraw/zinc/23/80/47/663238047.db2.gz JAZQXUFNWIDQCL-HFBDOXOYSA-N 1 1 322.365 -1.362 20 0 DAADMO O=C(CN1CCCC1)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC000913918010 663238369 /nfs/dbraw/zinc/23/83/69/663238369.db2.gz UIDIQBWMDBPJCR-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030961475 663238750 /nfs/dbraw/zinc/23/87/50/663238750.db2.gz WFBKGLOZVTXJEF-GXSJLCMTSA-N 1 1 308.386 -1.394 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030960963 663238860 /nfs/dbraw/zinc/23/88/60/663238860.db2.gz PZGIARWAJAUMFH-JSGCOSHPSA-N 1 1 324.425 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000992579071 663239805 /nfs/dbraw/zinc/23/98/05/663239805.db2.gz AKVPAEQRDVIITH-RFQIPJPRSA-N 1 1 323.393 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000992579071 663239814 /nfs/dbraw/zinc/23/98/14/663239814.db2.gz AKVPAEQRDVIITH-RFQIPJPRSA-N 1 1 323.393 -1.074 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1COC[C@H]1O ZINC000914016649 663240068 /nfs/dbraw/zinc/24/00/68/663240068.db2.gz CCKOIRHQLLXCLX-IRCOFANPSA-N 1 1 306.384 -1.471 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2COCO2)CC1 ZINC000914064389 663240188 /nfs/dbraw/zinc/24/01/88/663240188.db2.gz MKQCKTVKZAAGCK-LLVKDONJSA-N 1 1 300.359 -1.177 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC000992580112 663240476 /nfs/dbraw/zinc/24/04/76/663240476.db2.gz GZPLBYWOTQMEAG-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC000992580112 663240477 /nfs/dbraw/zinc/24/04/77/663240477.db2.gz GZPLBYWOTQMEAG-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1COC[C@H]1O ZINC000914016648 663240742 /nfs/dbraw/zinc/24/07/42/663240742.db2.gz CCKOIRHQLLXCLX-DDHJBXDOSA-N 1 1 306.384 -1.471 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000992608173 663241217 /nfs/dbraw/zinc/24/12/17/663241217.db2.gz LCFWMRNGVRYEOL-GRYCIOLGSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000992608173 663241220 /nfs/dbraw/zinc/24/12/20/663241220.db2.gz LCFWMRNGVRYEOL-GRYCIOLGSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000992602283 663241532 /nfs/dbraw/zinc/24/15/32/663241532.db2.gz XEHAZAMFGPBTQW-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000992602283 663241535 /nfs/dbraw/zinc/24/15/35/663241535.db2.gz XEHAZAMFGPBTQW-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)C1 ZINC000992609794 663241883 /nfs/dbraw/zinc/24/18/83/663241883.db2.gz OYEVCNSRSLERCT-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)C1 ZINC000992609794 663241884 /nfs/dbraw/zinc/24/18/84/663241884.db2.gz OYEVCNSRSLERCT-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)C1 ZINC000992609792 663242210 /nfs/dbraw/zinc/24/22/10/663242210.db2.gz OYEVCNSRSLERCT-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)C1 ZINC000992609792 663242215 /nfs/dbraw/zinc/24/22/15/663242215.db2.gz OYEVCNSRSLERCT-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(NC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031025809 663242582 /nfs/dbraw/zinc/24/25/82/663242582.db2.gz JQMAUVFNUXAQBT-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015358065 663245190 /nfs/dbraw/zinc/24/51/90/663245190.db2.gz RKTYKUPHSSOODF-ZYHUDNBSSA-N 1 1 306.370 -1.081 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015358065 663245192 /nfs/dbraw/zinc/24/51/92/663245192.db2.gz RKTYKUPHSSOODF-ZYHUDNBSSA-N 1 1 306.370 -1.081 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000914393756 663245380 /nfs/dbraw/zinc/24/53/80/663245380.db2.gz ONASFEAKABFVTN-MNOVXSKESA-N 1 1 317.415 -1.376 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992940184 663246395 /nfs/dbraw/zinc/24/63/95/663246395.db2.gz JYBLLPNIDLFVQJ-JRPNMDOOSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993011170 663247224 /nfs/dbraw/zinc/24/72/24/663247224.db2.gz HETJWPCQFMWSIC-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993011170 663247231 /nfs/dbraw/zinc/24/72/31/663247231.db2.gz HETJWPCQFMWSIC-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031117543 663250334 /nfs/dbraw/zinc/25/03/34/663250334.db2.gz UOKJMHLDBLOJGZ-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015507900 663250459 /nfs/dbraw/zinc/25/04/59/663250459.db2.gz FUMXXKMDYOZSNK-WDEREUQCSA-N 1 1 309.370 -2.503 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015507900 663250460 /nfs/dbraw/zinc/25/04/60/663250460.db2.gz FUMXXKMDYOZSNK-WDEREUQCSA-N 1 1 309.370 -2.503 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000730841944 663252967 /nfs/dbraw/zinc/25/29/67/663252967.db2.gz TVHSXNNDEMKTNY-LLVKDONJSA-N 1 1 310.354 -1.236 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1=O ZINC001015569433 663253811 /nfs/dbraw/zinc/25/38/11/663253811.db2.gz RUDGTWXNHAGCTP-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)[C@@H]3COC[C@H]3O)[C@@H]2C1 ZINC000915433428 663256770 /nfs/dbraw/zinc/25/67/70/663256770.db2.gz XKXVWMPSUGNCQL-WISYIIOYSA-N 1 1 306.384 -1.519 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642401 663259506 /nfs/dbraw/zinc/25/95/06/663259506.db2.gz WALPCAIODUZYSA-BDAKNGLRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642401 663259508 /nfs/dbraw/zinc/25/95/08/663259508.db2.gz WALPCAIODUZYSA-BDAKNGLRSA-N 1 1 312.326 -2.828 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015640476 663259564 /nfs/dbraw/zinc/25/95/64/663259564.db2.gz NZOCESILXDSVCX-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO COC(=O)N(C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000915681568 663260079 /nfs/dbraw/zinc/26/00/79/663260079.db2.gz BJCOCHHJQCZBPK-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000915696015 663260255 /nfs/dbraw/zinc/26/02/55/663260255.db2.gz ACYBQRZINWFNIM-VXGBXAGGSA-N 1 1 309.432 -1.451 20 0 DAADMO CN(CCCNS(=O)(=O)[C@@H]1COC[C@H]1O)CC[NH+](C)C ZINC000915696015 663260259 /nfs/dbraw/zinc/26/02/59/663260259.db2.gz ACYBQRZINWFNIM-VXGBXAGGSA-N 1 1 309.432 -1.451 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000993334820 663261697 /nfs/dbraw/zinc/26/16/97/663261697.db2.gz WAMZOIVLNDWCIE-ZETOZRRWSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993346084 663262243 /nfs/dbraw/zinc/26/22/43/663262243.db2.gz GCNQPFUYQYQLGZ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993346084 663262244 /nfs/dbraw/zinc/26/22/44/663262244.db2.gz GCNQPFUYQYQLGZ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993356801 663262420 /nfs/dbraw/zinc/26/24/20/663262420.db2.gz XDARZCQXHFEDIJ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993356801 663262424 /nfs/dbraw/zinc/26/24/24/663262424.db2.gz XDARZCQXHFEDIJ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCC[N@H+]1CCO ZINC000993393867 663263006 /nfs/dbraw/zinc/26/30/06/663263006.db2.gz JJHZVWXOMGJGDN-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001031253135 663263055 /nfs/dbraw/zinc/26/30/55/663263055.db2.gz NRLQWABYBHNUAS-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCCS2(=O)=O)CCC[N@H+]1CCO ZINC000993393875 663263337 /nfs/dbraw/zinc/26/33/37/663263337.db2.gz JJHZVWXOMGJGDN-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CC(N)=O ZINC000993417932 663263686 /nfs/dbraw/zinc/26/36/86/663263686.db2.gz DNNBMHXTXGZSKK-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@H+]1CC(N)=O ZINC000993417932 663263689 /nfs/dbraw/zinc/26/36/89/663263689.db2.gz DNNBMHXTXGZSKK-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CC(N)=O ZINC000993417924 663264011 /nfs/dbraw/zinc/26/40/11/663264011.db2.gz DNNBMHXTXGZSKK-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCOCC2=O)CCC[N@H+]1CC(N)=O ZINC000993417924 663264012 /nfs/dbraw/zinc/26/40/12/663264012.db2.gz DNNBMHXTXGZSKK-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993439669 663264972 /nfs/dbraw/zinc/26/49/72/663264972.db2.gz BQUFXHGLDLLBQG-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993439686 663265304 /nfs/dbraw/zinc/26/53/04/663265304.db2.gz BQUFXHGLDLLBQG-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC000993445709 663265349 /nfs/dbraw/zinc/26/53/49/663265349.db2.gz SUFJMVRFMHEWPQ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCC[N@H+]1CCO ZINC000993519555 663266415 /nfs/dbraw/zinc/26/64/15/663266415.db2.gz KDBDZNKLZWJPSY-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CCCO ZINC000993511011 663266676 /nfs/dbraw/zinc/26/66/76/663266676.db2.gz LYCFBAHRMIWENJ-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCCNC2=O)CCC[N@@H+]1CC(N)=O ZINC000993574410 663266981 /nfs/dbraw/zinc/26/69/81/663266981.db2.gz WVIDRXKGTJDLOQ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCCNC2=O)CCC[N@H+]1CC(N)=O ZINC000993574410 663266982 /nfs/dbraw/zinc/26/69/82/663266982.db2.gz WVIDRXKGTJDLOQ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993575138 663267482 /nfs/dbraw/zinc/26/74/82/663267482.db2.gz FOCSRVLWTVBRTA-MNOVXSKESA-N 1 1 310.354 -1.948 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1=O ZINC000993790241 663268501 /nfs/dbraw/zinc/26/85/01/663268501.db2.gz MNUVQBYYAXWPDO-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CCCO ZINC000993698303 663268758 /nfs/dbraw/zinc/26/87/58/663268758.db2.gz HCPGNRRQXPVOES-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000993724518 663268884 /nfs/dbraw/zinc/26/88/84/663268884.db2.gz ALUWRPFYRNBUCM-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000993724518 663268888 /nfs/dbraw/zinc/26/88/88/663268888.db2.gz ALUWRPFYRNBUCM-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000993732873 663268955 /nfs/dbraw/zinc/26/89/55/663268955.db2.gz PJCMZYCALFUHRI-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000993732873 663268960 /nfs/dbraw/zinc/26/89/60/663268960.db2.gz PJCMZYCALFUHRI-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000993782654 663269784 /nfs/dbraw/zinc/26/97/84/663269784.db2.gz CDWUFMGVBFAONJ-CMPLNLGQSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000993782654 663269788 /nfs/dbraw/zinc/26/97/88/663269788.db2.gz CDWUFMGVBFAONJ-CMPLNLGQSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000993779864 663269965 /nfs/dbraw/zinc/26/99/65/663269965.db2.gz IVCXMNYOPLODTA-GHMZBOCLSA-N 1 1 308.382 -1.257 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000993805682 663270882 /nfs/dbraw/zinc/27/08/82/663270882.db2.gz IDESYHOWYAOKGF-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000993882874 663271615 /nfs/dbraw/zinc/27/16/15/663271615.db2.gz VQFJBMFJLCGZIG-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993907902 663272095 /nfs/dbraw/zinc/27/20/95/663272095.db2.gz UXRWKDNTDBJPSR-ZYHUDNBSSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993907899 663272208 /nfs/dbraw/zinc/27/22/08/663272208.db2.gz UXRWKDNTDBJPSR-PWSUYJOCSA-N 1 1 324.381 -1.341 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000993867042 663272325 /nfs/dbraw/zinc/27/23/25/663272325.db2.gz SUSAUXRAFNLMRH-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1ncn(C)c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000994008672 663273389 /nfs/dbraw/zinc/27/33/89/663273389.db2.gz IBOPWQRWXBKLBR-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncn(C)c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000994008672 663273391 /nfs/dbraw/zinc/27/33/91/663273391.db2.gz IBOPWQRWXBKLBR-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994004547 663273798 /nfs/dbraw/zinc/27/37/98/663273798.db2.gz SIDNKRYGCGJVPP-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994004547 663273800 /nfs/dbraw/zinc/27/38/00/663273800.db2.gz SIDNKRYGCGJVPP-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CC(=O)NC2=O)CCC[N@H+]1CCCO ZINC000994018608 663274223 /nfs/dbraw/zinc/27/42/23/663274223.db2.gz FXAAGRWRTDRGKQ-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994012434 663274708 /nfs/dbraw/zinc/27/47/08/663274708.db2.gz RIIMVXRBZBIRMF-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCC[N@H+]1CCO ZINC000994213752 663278398 /nfs/dbraw/zinc/27/83/98/663278398.db2.gz STNUVXUEHKBBBA-VHSXEESVSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCC[N@H+]1CCO ZINC000994210196 663278454 /nfs/dbraw/zinc/27/84/54/663278454.db2.gz LJPBFZZGTIVMLC-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@]1(CO)COCCN1C ZINC000916331380 663279746 /nfs/dbraw/zinc/27/97/46/663279746.db2.gz MRIYYVLDEJXYHY-AWEZNQCLSA-N 1 1 318.418 -1.443 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@@]1(CO)COCCN1C ZINC000916331385 663280271 /nfs/dbraw/zinc/28/02/71/663280271.db2.gz MRIYYVLDEJXYHY-CQSZACIVSA-N 1 1 318.418 -1.443 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n(C)c1=O ZINC000994288597 663281448 /nfs/dbraw/zinc/28/14/48/663281448.db2.gz ICUSEHKDDFXEGQ-SNVBAGLBSA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n(C)c1=O ZINC000994288596 663281848 /nfs/dbraw/zinc/28/18/48/663281848.db2.gz ICUSEHKDDFXEGQ-JTQLQIEISA-N 1 1 321.381 -1.384 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC000994299132 663282322 /nfs/dbraw/zinc/28/23/22/663282322.db2.gz TTYKPKDQEFVUBN-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC000994299132 663282325 /nfs/dbraw/zinc/28/23/25/663282325.db2.gz TTYKPKDQEFVUBN-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160475 663282491 /nfs/dbraw/zinc/28/24/91/663282491.db2.gz KBZSBGVKSJJDGH-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160475 663282497 /nfs/dbraw/zinc/28/24/97/663282497.db2.gz KBZSBGVKSJJDGH-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)[C@H]2C)c(=O)n1C ZINC000994328738 663282598 /nfs/dbraw/zinc/28/25/98/663282598.db2.gz MOKKWJFMUJOKKU-CMPLNLGQSA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@@H+]1CC(N)=O ZINC000994370999 663283113 /nfs/dbraw/zinc/28/31/13/663283113.db2.gz FVSDHZKXDHZICH-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@H+]1CC(N)=O ZINC000994370999 663283118 /nfs/dbraw/zinc/28/31/18/663283118.db2.gz FVSDHZKXDHZICH-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160865 663283170 /nfs/dbraw/zinc/28/31/70/663283170.db2.gz KQVHDPLGJROKIG-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160865 663283174 /nfs/dbraw/zinc/28/31/74/663283174.db2.gz KQVHDPLGJROKIG-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@@H+]1CC(N)=O ZINC000994371001 663283564 /nfs/dbraw/zinc/28/35/64/663283564.db2.gz FVSDHZKXDHZICH-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@H+]1CC(N)=O ZINC000994371001 663283567 /nfs/dbraw/zinc/28/35/67/663283567.db2.gz FVSDHZKXDHZICH-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCC[N@H+]1CCO ZINC000994366456 663283632 /nfs/dbraw/zinc/28/36/32/663283632.db2.gz RFTHBWQLUSYUNK-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917061686 663286395 /nfs/dbraw/zinc/28/63/95/663286395.db2.gz OSDUOFFDYLQKEY-NEPJUHHUSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917061686 663286401 /nfs/dbraw/zinc/28/64/01/663286401.db2.gz OSDUOFFDYLQKEY-NEPJUHHUSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917061688 663286605 /nfs/dbraw/zinc/28/66/05/663286605.db2.gz OSDUOFFDYLQKEY-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917061688 663286607 /nfs/dbraw/zinc/28/66/07/663286607.db2.gz OSDUOFFDYLQKEY-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCO ZINC000994491141 663287350 /nfs/dbraw/zinc/28/73/50/663287350.db2.gz XMUADLBVBMZGIA-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001007162371 663288199 /nfs/dbraw/zinc/28/81/99/663288199.db2.gz RMMQDQKJMHJJNE-GHMZBOCLSA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001007162371 663288203 /nfs/dbraw/zinc/28/82/03/663288203.db2.gz RMMQDQKJMHJJNE-GHMZBOCLSA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001031385326 663288920 /nfs/dbraw/zinc/28/89/20/663288920.db2.gz ATBZVOVJLUMBOT-OCCSQVGLSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001031385325 663289002 /nfs/dbraw/zinc/28/90/02/663289002.db2.gz ATBZVOVJLUMBOT-JSGCOSHPSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384904 663289024 /nfs/dbraw/zinc/28/90/24/663289024.db2.gz NXSTWPZJTQFJRZ-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1CN(C(=O)CN2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCO1 ZINC001031385123 663289096 /nfs/dbraw/zinc/28/90/96/663289096.db2.gz VGKOEPQWYYGZTB-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCn3cncn3)C2)C1 ZINC001031415513 663291722 /nfs/dbraw/zinc/29/17/22/663291722.db2.gz XCBODIQKUILGIN-CYBMUJFWSA-N 1 1 308.386 -1.201 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CCn3cncn3)C2)C1 ZINC001031415513 663291728 /nfs/dbraw/zinc/29/17/28/663291728.db2.gz XCBODIQKUILGIN-CYBMUJFWSA-N 1 1 308.386 -1.201 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)C1 ZINC001031417802 663291758 /nfs/dbraw/zinc/29/17/58/663291758.db2.gz BPFIXAMHXMZQHZ-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)C1 ZINC001031417802 663291760 /nfs/dbraw/zinc/29/17/60/663291760.db2.gz BPFIXAMHXMZQHZ-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)C1 ZINC001031418033 663292347 /nfs/dbraw/zinc/29/23/47/663292347.db2.gz GPMWLPZFCDLMFM-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)C1 ZINC001031418033 663292348 /nfs/dbraw/zinc/29/23/48/663292348.db2.gz GPMWLPZFCDLMFM-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031419362 663292540 /nfs/dbraw/zinc/29/25/40/663292540.db2.gz YLCRSPGATRESLA-LBPRGKRZSA-N 1 1 319.427 -1.448 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031419362 663292550 /nfs/dbraw/zinc/29/25/50/663292550.db2.gz YLCRSPGATRESLA-LBPRGKRZSA-N 1 1 319.427 -1.448 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031420024 663292643 /nfs/dbraw/zinc/29/26/43/663292643.db2.gz JXEZONCARQLTGI-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031420024 663292645 /nfs/dbraw/zinc/29/26/45/663292645.db2.gz JXEZONCARQLTGI-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)c3nnnn3C)C2)C1 ZINC001031419417 663292793 /nfs/dbraw/zinc/29/27/93/663292793.db2.gz ZXECQYKIISZWRR-PWSUYJOCSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)c3nnnn3C)C2)C1 ZINC001031419417 663292797 /nfs/dbraw/zinc/29/27/97/663292797.db2.gz ZXECQYKIISZWRR-PWSUYJOCSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)C1 ZINC001031419375 663292900 /nfs/dbraw/zinc/29/29/00/663292900.db2.gz YXAKWTBWKKCERQ-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)C1 ZINC001031419375 663292907 /nfs/dbraw/zinc/29/29/07/663292907.db2.gz YXAKWTBWKKCERQ-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001031438524 663293435 /nfs/dbraw/zinc/29/34/35/663293435.db2.gz IODGICCEAYALNY-NSHDSACASA-N 1 1 322.369 -1.254 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[S@@](C)=O)C[C@]2(C)C1 ZINC000930024352 663295636 /nfs/dbraw/zinc/29/56/36/663295636.db2.gz SONMCOZCJMTRAM-LITPITGPSA-N 1 1 301.412 -1.109 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCCO1 ZINC001031537422 663297553 /nfs/dbraw/zinc/29/75/53/663297553.db2.gz QTIXWLBFBWONKA-NSHDSACASA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1CCCO1 ZINC001031537420 663297782 /nfs/dbraw/zinc/29/77/82/663297782.db2.gz QTIXWLBFBWONKA-LLVKDONJSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001031532530 663297786 /nfs/dbraw/zinc/29/77/86/663297786.db2.gz YCLSSYYRNJGTIJ-JTQLQIEISA-N 1 1 319.321 -1.351 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N[C@H](CO)CN2CCOCC2)CC1 ZINC000918969522 663298329 /nfs/dbraw/zinc/29/83/29/663298329.db2.gz DBBIVBJLZNATLW-LBPRGKRZSA-N 1 1 321.443 -1.307 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)cn1 ZINC001031539663 663298335 /nfs/dbraw/zinc/29/83/35/663298335.db2.gz PDABSSQIPKNYCP-UHFFFAOYSA-N 1 1 320.353 -1.367 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ccon1 ZINC001031563654 663299451 /nfs/dbraw/zinc/29/94/51/663299451.db2.gz RCSYACGHGPIHQW-UHFFFAOYSA-N 1 1 307.310 -1.112 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001031579648 663300318 /nfs/dbraw/zinc/30/03/18/663300318.db2.gz JCCFNSPLACJKDV-LLVKDONJSA-N 1 1 308.386 -1.249 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031584322 663300593 /nfs/dbraw/zinc/30/05/93/663300593.db2.gz BQYFGVIHPNDJJJ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cocn1 ZINC001031583498 663300623 /nfs/dbraw/zinc/30/06/23/663300623.db2.gz BHPSZXUZXIYUCQ-UHFFFAOYSA-N 1 1 307.310 -1.112 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031581977 663300782 /nfs/dbraw/zinc/30/07/82/663300782.db2.gz DAOQJJVNEUERDB-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC(=O)N2CCOCC2)C1 ZINC001031580928 663300895 /nfs/dbraw/zinc/30/08/95/663300895.db2.gz ZGGJZNSFZUNDCO-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC(=O)N2CCOCC2)C1 ZINC001031580929 663301184 /nfs/dbraw/zinc/30/11/84/663301184.db2.gz ZGGJZNSFZUNDCO-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001031582940 663301220 /nfs/dbraw/zinc/30/12/20/663301220.db2.gz AAVGTUWASQQXFP-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nncc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594741 663301534 /nfs/dbraw/zinc/30/15/34/663301534.db2.gz KGAHYCUPJHJKNG-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1nncc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594741 663301536 /nfs/dbraw/zinc/30/15/36/663301536.db2.gz KGAHYCUPJHJKNG-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO Cc1nnc(CN2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001031597118 663301598 /nfs/dbraw/zinc/30/15/98/663301598.db2.gz UQBDUPUYXPUXRI-GFCCVEGCSA-N 1 1 308.386 -1.008 20 0 DAADMO Cc1nnc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001031597118 663301601 /nfs/dbraw/zinc/30/16/01/663301601.db2.gz UQBDUPUYXPUXRI-GFCCVEGCSA-N 1 1 308.386 -1.008 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001031596699 663301622 /nfs/dbraw/zinc/30/16/22/663301622.db2.gz NIURVKUVFCLRIH-YPMHNXCESA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001031596696 663301840 /nfs/dbraw/zinc/30/18/40/663301840.db2.gz NIURVKUVFCLRIH-AAEUAGOBSA-N 1 1 312.414 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031594420 663302005 /nfs/dbraw/zinc/30/20/05/663302005.db2.gz DNJRUBOWZRODLN-LBPRGKRZSA-N 1 1 319.427 -1.590 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031594420 663302010 /nfs/dbraw/zinc/30/20/10/663302010.db2.gz DNJRUBOWZRODLN-LBPRGKRZSA-N 1 1 319.427 -1.590 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596706 663302090 /nfs/dbraw/zinc/30/20/90/663302090.db2.gz NQFWOGVNMAVFDG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596706 663302094 /nfs/dbraw/zinc/30/20/94/663302094.db2.gz NQFWOGVNMAVFDG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1cnnc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595524 663302134 /nfs/dbraw/zinc/30/21/34/663302134.db2.gz YOLJGWYVLAFWFP-GFCCVEGCSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1cnnc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595524 663302139 /nfs/dbraw/zinc/30/21/39/663302139.db2.gz YOLJGWYVLAFWFP-GFCCVEGCSA-N 1 1 308.386 -1.306 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)C1 ZINC001031597246 663302204 /nfs/dbraw/zinc/30/22/04/663302204.db2.gz XRTYPIYLKVUDFV-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789123 663302366 /nfs/dbraw/zinc/30/23/66/663302366.db2.gz NFHJZDFLOVVXCB-WDEREUQCSA-N 1 1 324.381 -1.077 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031613850 663302433 /nfs/dbraw/zinc/30/24/33/663302433.db2.gz RXRBPMJPTDBKMD-WDEREUQCSA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031612823 663302510 /nfs/dbraw/zinc/30/25/10/663302510.db2.gz DZHJZAZHGBPEGY-NEPJUHHUSA-N 1 1 308.382 -1.161 20 0 DAADMO C[N@H+]1CCCN(CCCNS(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000919693342 663302640 /nfs/dbraw/zinc/30/26/40/663302640.db2.gz PPILAMMSDQXDRD-CHWSQXEVSA-N 1 1 321.443 -1.307 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001031615493 663302658 /nfs/dbraw/zinc/30/26/58/663302658.db2.gz OXUAQILQVYQRCC-NSHDSACASA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031612826 663302721 /nfs/dbraw/zinc/30/27/21/663302721.db2.gz DZHJZAZHGBPEGY-VXGBXAGGSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001031620937 663303441 /nfs/dbraw/zinc/30/34/41/663303441.db2.gz DEJGNUUYESNNCT-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1)C1CC1 ZINC001031621789 663303603 /nfs/dbraw/zinc/30/36/03/663303603.db2.gz OCAUMRPFXSBKJA-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1oc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001031636579 663303781 /nfs/dbraw/zinc/30/37/81/663303781.db2.gz GPYBELYPVTZFKD-VIFPVBQESA-N 1 1 322.321 -1.555 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3cnn(C)c3N)C2)C1=O ZINC001031626312 663303791 /nfs/dbraw/zinc/30/37/91/663303791.db2.gz CHOJOMJBCHBYAF-LLVKDONJSA-N 1 1 306.370 -1.105 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031636006 663303852 /nfs/dbraw/zinc/30/38/52/663303852.db2.gz JWYKGYCVQCORAM-LBPRGKRZSA-N 1 1 322.365 -1.682 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919982822 663303921 /nfs/dbraw/zinc/30/39/21/663303921.db2.gz WLWOPXFWIXCHHA-ZDEQEGDKSA-N 1 1 321.443 -1.046 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982822 663303923 /nfs/dbraw/zinc/30/39/23/663303923.db2.gz WLWOPXFWIXCHHA-ZDEQEGDKSA-N 1 1 321.443 -1.046 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001031635999 663304177 /nfs/dbraw/zinc/30/41/77/663304177.db2.gz JPRCWKHQXOPBAI-ZDUSSCGKSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@H]1COC(=O)N1 ZINC001031642937 663304791 /nfs/dbraw/zinc/30/47/91/663304791.db2.gz FXDQDGCXUGEIFS-SNVBAGLBSA-N 1 1 324.337 -1.708 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031643632 663304814 /nfs/dbraw/zinc/30/48/14/663304814.db2.gz XOCVIONGMRQNTL-KCJUWKMLSA-N 1 1 310.354 -1.190 20 0 DAADMO Cn1nncc1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031645149 663305047 /nfs/dbraw/zinc/30/50/47/663305047.db2.gz CUGCQTNRKYMYSC-UHFFFAOYSA-N 1 1 307.358 -1.498 20 0 DAADMO CCn1nncc1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031654637 663305755 /nfs/dbraw/zinc/30/57/55/663305755.db2.gz CHKXDKPLNRUNQT-UHFFFAOYSA-N 1 1 321.385 -1.015 20 0 DAADMO COC(=O)CCCS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535982 663306184 /nfs/dbraw/zinc/30/61/84/663306184.db2.gz XEWWIFWOXHTMHM-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)CCn2cccn2)CC1 ZINC000920520850 663306300 /nfs/dbraw/zinc/30/63/00/663306300.db2.gz KTKGGZFHUPLHOJ-UHFFFAOYSA-N 1 1 315.399 -1.424 20 0 DAADMO COCCN(C)S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534061 663306360 /nfs/dbraw/zinc/30/63/60/663306360.db2.gz BXKKLJWXPPRLQF-UHFFFAOYSA-N 1 1 308.404 -1.827 20 0 DAADMO C[C@H]1OCC[C@H]1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534045 663306509 /nfs/dbraw/zinc/30/65/09/663306509.db2.gz BJIBTSQLOIDWJJ-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000920521627 663306557 /nfs/dbraw/zinc/30/65/57/663306557.db2.gz XZIAOISFHRXPKX-UHFFFAOYSA-N 1 1 313.383 -1.163 20 0 DAADMO COC[C@@H](C)CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534028 663306662 /nfs/dbraw/zinc/30/66/62/663306662.db2.gz AUDDJBJHGICTDV-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001031681160 663307108 /nfs/dbraw/zinc/30/71/08/663307108.db2.gz GUTUSGOILNZAIC-ZYHUDNBSSA-N 1 1 322.413 -1.003 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000994712102 663308142 /nfs/dbraw/zinc/30/81/42/663308142.db2.gz JBDDXFWXJDTOSG-NXEZZACHSA-N 1 1 320.361 -1.729 20 0 DAADMO CN1CC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000921414954 663308985 /nfs/dbraw/zinc/30/89/85/663308985.db2.gz ASVINKFGFFIOGM-MRVPVSSYSA-N 1 1 302.356 -1.934 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000994747761 663310997 /nfs/dbraw/zinc/31/09/97/663310997.db2.gz XVHZKFOTYHXGOY-SCZZXKLOSA-N 1 1 323.353 -2.137 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015831524 663311064 /nfs/dbraw/zinc/31/10/64/663311064.db2.gz BORNIUJRIDOJFS-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015831524 663311070 /nfs/dbraw/zinc/31/10/70/663311070.db2.gz BORNIUJRIDOJFS-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031712562 663311418 /nfs/dbraw/zinc/31/14/18/663311418.db2.gz CJJWLKFRASAMFE-ZYHUDNBSSA-N 1 1 310.398 -1.011 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CC1=O ZINC001031711806 663311686 /nfs/dbraw/zinc/31/16/86/663311686.db2.gz LHQIEZAAYFDWCH-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC(=O)N(C)C3)C2)C1=O ZINC001031712916 663311951 /nfs/dbraw/zinc/31/19/51/663311951.db2.gz LABDPXVCNGPPQG-NWDGAFQWSA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938316388 663313057 /nfs/dbraw/zinc/31/30/57/663313057.db2.gz GGXZAQUFQSNBBF-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1=O ZINC000994779449 663313376 /nfs/dbraw/zinc/31/33/76/663313376.db2.gz DWEHHIRYTWMLGH-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938374974 663314850 /nfs/dbraw/zinc/31/48/50/663314850.db2.gz RYAPJEDVAYLLAC-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938374974 663314856 /nfs/dbraw/zinc/31/48/56/663314856.db2.gz RYAPJEDVAYLLAC-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000938410652 663317923 /nfs/dbraw/zinc/31/79/23/663317923.db2.gz HMTSFNWHYGHFDG-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000938462273 663318668 /nfs/dbraw/zinc/31/86/68/663318668.db2.gz FOXWEUDFOHJHGL-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)O1 ZINC000994841624 663322438 /nfs/dbraw/zinc/32/24/38/663322438.db2.gz YUJSFELLKSKOHX-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)O1 ZINC000994841624 663322441 /nfs/dbraw/zinc/32/24/41/663322441.db2.gz YUJSFELLKSKOHX-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000938529567 663323112 /nfs/dbraw/zinc/32/31/12/663323112.db2.gz RALJPDFXSOGBME-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000938529567 663323114 /nfs/dbraw/zinc/32/31/14/663323114.db2.gz RALJPDFXSOGBME-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938538283 663323286 /nfs/dbraw/zinc/32/32/86/663323286.db2.gz YNGBQZFXCAAUCW-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938562595 663324040 /nfs/dbraw/zinc/32/40/40/663324040.db2.gz SFIXTBDYEHGOOL-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938562598 663324079 /nfs/dbraw/zinc/32/40/79/663324079.db2.gz SFIXTBDYEHGOOL-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000938573178 663325795 /nfs/dbraw/zinc/32/57/95/663325795.db2.gz ZYWXZXQUROIWOA-HBNTYKKESA-N 1 1 309.370 -1.521 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000938572482 663326221 /nfs/dbraw/zinc/32/62/21/663326221.db2.gz KFVJAJLYVYGNFC-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938580457 663327173 /nfs/dbraw/zinc/32/71/73/663327173.db2.gz BANSWYPQJRYBIY-SSOKKCIESA-N 1 1 322.365 -1.948 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740296 663330006 /nfs/dbraw/zinc/33/00/06/663330006.db2.gz YBWZYEUFKQSVMT-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619171 663331125 /nfs/dbraw/zinc/33/11/25/663331125.db2.gz VEDGFJGAKRKSSK-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619171 663331130 /nfs/dbraw/zinc/33/11/30/663331130.db2.gz VEDGFJGAKRKSSK-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)O1 ZINC000994851287 663331474 /nfs/dbraw/zinc/33/14/74/663331474.db2.gz TYPXZEDMEDGZPH-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)O1 ZINC000994851287 663331481 /nfs/dbraw/zinc/33/14/81/663331481.db2.gz TYPXZEDMEDGZPH-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000938825441 663334867 /nfs/dbraw/zinc/33/48/67/663334867.db2.gz WDSKPLBJTJZKTI-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938819617 663334921 /nfs/dbraw/zinc/33/49/21/663334921.db2.gz SNNVZFUMRSWIEE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000938826327 663334987 /nfs/dbraw/zinc/33/49/87/663334987.db2.gz GHHQJAPXCIRMHK-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831670 663335517 /nfs/dbraw/zinc/33/55/17/663335517.db2.gz WBMXTTQGLQLNRA-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831670 663335520 /nfs/dbraw/zinc/33/55/20/663335520.db2.gz WBMXTTQGLQLNRA-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938884332 663336876 /nfs/dbraw/zinc/33/68/76/663336876.db2.gz VVKMMMNMSZQNQR-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001031748515 663336924 /nfs/dbraw/zinc/33/69/24/663336924.db2.gz BCBXJDCALZSXBX-NEPJUHHUSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@H]1CCCNC1=O ZINC001031748516 663337054 /nfs/dbraw/zinc/33/70/54/663337054.db2.gz BCBXJDCALZSXBX-NWDGAFQWSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001031754832 663338625 /nfs/dbraw/zinc/33/86/25/663338625.db2.gz RUTPKOOBGDLESU-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754694 663339315 /nfs/dbraw/zinc/33/93/15/663339315.db2.gz LQCSSHHNDZGRJN-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000938990279 663340206 /nfs/dbraw/zinc/34/02/06/663340206.db2.gz XASJVUKKNXZMHE-AAEUAGOBSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000938990279 663340210 /nfs/dbraw/zinc/34/02/10/663340210.db2.gz XASJVUKKNXZMHE-AAEUAGOBSA-N 1 1 321.381 -1.000 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NCC[N@@H+](C)CCOC ZINC000069110768 663340320 /nfs/dbraw/zinc/34/03/20/663340320.db2.gz VWGFHWUVAMDVTA-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)O1 ZINC001031765935 663340914 /nfs/dbraw/zinc/34/09/14/663340914.db2.gz VOCFVXQJTVUDHZ-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)O1 ZINC001031765935 663340919 /nfs/dbraw/zinc/34/09/19/663340919.db2.gz VOCFVXQJTVUDHZ-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082908 663342723 /nfs/dbraw/zinc/34/27/23/663342723.db2.gz WOXSDKZRABBSEZ-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082908 663342725 /nfs/dbraw/zinc/34/27/25/663342725.db2.gz WOXSDKZRABBSEZ-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939134800 663343581 /nfs/dbraw/zinc/34/35/81/663343581.db2.gz HWAJVDVEUMZYHQ-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001031796679 663344797 /nfs/dbraw/zinc/34/47/97/663344797.db2.gz SAJLGRLQOKAMOF-DGCLKSJQSA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994911415 663344963 /nfs/dbraw/zinc/34/49/63/663344963.db2.gz JQGSMDNCVGMTGH-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994911415 663344968 /nfs/dbraw/zinc/34/49/68/663344968.db2.gz JQGSMDNCVGMTGH-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001031796574 663345022 /nfs/dbraw/zinc/34/50/22/663345022.db2.gz PFCSKYLOULNYKQ-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)C1=O ZINC001031803980 663345448 /nfs/dbraw/zinc/34/54/48/663345448.db2.gz PXYOOMZGYLIUTK-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001031805169 663345477 /nfs/dbraw/zinc/34/54/77/663345477.db2.gz IIFCQMSJKDIQNQ-NSHDSACASA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031802691 663345545 /nfs/dbraw/zinc/34/55/45/663345545.db2.gz PXNJSQIWBAKMCA-NEPJUHHUSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)C1=O ZINC001031803979 663345714 /nfs/dbraw/zinc/34/57/14/663345714.db2.gz PXYOOMZGYLIUTK-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031801954 663345990 /nfs/dbraw/zinc/34/59/90/663345990.db2.gz IYTFLTVFDPSJIA-MNOVXSKESA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031802693 663346013 /nfs/dbraw/zinc/34/60/13/663346013.db2.gz PXNJSQIWBAKMCA-RYUDHWBXSA-N 1 1 308.382 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994917024 663346734 /nfs/dbraw/zinc/34/67/34/663346734.db2.gz YGTPZGNFNCRJQP-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994917024 663346740 /nfs/dbraw/zinc/34/67/40/663346740.db2.gz YGTPZGNFNCRJQP-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001031810225 663348325 /nfs/dbraw/zinc/34/83/25/663348325.db2.gz FDFGQEJBEZMMCS-LBPRGKRZSA-N 1 1 304.350 -1.065 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939335613 663350565 /nfs/dbraw/zinc/35/05/65/663350565.db2.gz LNRHQBQCWYJGJW-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1)C1CCC1 ZINC000939334224 663350682 /nfs/dbraw/zinc/35/06/82/663350682.db2.gz PSOMJRCAAJBVOP-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939330082 663350810 /nfs/dbraw/zinc/35/08/10/663350810.db2.gz ZSRWUPQAFNPBMO-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031817225 663350893 /nfs/dbraw/zinc/35/08/93/663350893.db2.gz VAJPODCSHOKPPL-LLVKDONJSA-N 1 1 319.365 -1.326 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939330083 663351278 /nfs/dbraw/zinc/35/12/78/663351278.db2.gz ZSRWUPQAFNPBMO-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000994940693 663353545 /nfs/dbraw/zinc/35/35/45/663353545.db2.gz RQNGYKJDKMEWQK-NXEZZACHSA-N 1 1 320.361 -1.729 20 0 DAADMO CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000939384740 663354579 /nfs/dbraw/zinc/35/45/79/663354579.db2.gz VIABMGZMLFSISH-VIFPVBQESA-N 1 1 323.353 -1.106 20 0 DAADMO Cn1cncc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031819315 663355889 /nfs/dbraw/zinc/35/58/89/663355889.db2.gz QKJXFIXVTWXJBN-JTQLQIEISA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1cncc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031819356 663356067 /nfs/dbraw/zinc/35/60/67/663356067.db2.gz RQMWDVPGHBXXMR-UHFFFAOYSA-N 1 1 320.353 -1.367 20 0 DAADMO Cn1cnn(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1=O ZINC000994976073 663359156 /nfs/dbraw/zinc/35/91/56/663359156.db2.gz RYJXVPWGIGBFRQ-SNVBAGLBSA-N 1 1 322.369 -2.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C(N)=O ZINC000939691487 663362305 /nfs/dbraw/zinc/36/23/05/663362305.db2.gz JIMCNYHGVOTXRK-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1NC(=O)C(N)=O ZINC000939691487 663362306 /nfs/dbraw/zinc/36/23/06/663362306.db2.gz JIMCNYHGVOTXRK-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000939749003 663363712 /nfs/dbraw/zinc/36/37/12/663363712.db2.gz ATEPLVPVNQMNNE-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000939751429 663363881 /nfs/dbraw/zinc/36/38/81/663363881.db2.gz SDCQCWUCJFEFJJ-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000939866646 663365123 /nfs/dbraw/zinc/36/51/23/663365123.db2.gz KXQKJDXXIRVTSG-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000939866646 663365125 /nfs/dbraw/zinc/36/51/25/663365125.db2.gz KXQKJDXXIRVTSG-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856570 663365395 /nfs/dbraw/zinc/36/53/95/663365395.db2.gz CHMSXRIFVMTKLP-ULKWEWGCSA-N 1 1 322.409 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000939863846 663365487 /nfs/dbraw/zinc/36/54/87/663365487.db2.gz PKKBSYDJAKJVAI-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000939863846 663365489 /nfs/dbraw/zinc/36/54/89/663365489.db2.gz PKKBSYDJAKJVAI-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000939870941 663365861 /nfs/dbraw/zinc/36/58/61/663365861.db2.gz CICMEEMWNAHDES-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000939870941 663365863 /nfs/dbraw/zinc/36/58/63/663365863.db2.gz CICMEEMWNAHDES-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856991 663366118 /nfs/dbraw/zinc/36/61/18/663366118.db2.gz OIPWCHZSNOIBML-WXPRMRQPSA-N 1 1 322.409 -1.229 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031859996 663366325 /nfs/dbraw/zinc/36/63/25/663366325.db2.gz GDEAKTWITKJWIA-SECBINFHSA-N 1 1 307.354 -1.424 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(N)=O)C2)n1 ZINC000995075751 663373427 /nfs/dbraw/zinc/37/34/27/663373427.db2.gz YYGGGRNZRLBYTC-IUCAKERBSA-N 1 1 310.358 -1.005 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)C1 ZINC000940523148 663374349 /nfs/dbraw/zinc/37/43/49/663374349.db2.gz RZNZJCUTKSEUHL-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000940522606 663374362 /nfs/dbraw/zinc/37/43/62/663374362.db2.gz KUZLUBWKKLDXPL-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000940526576 663374378 /nfs/dbraw/zinc/37/43/78/663374378.db2.gz WNPMVRVDMWKNHV-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000940522604 663374387 /nfs/dbraw/zinc/37/43/87/663374387.db2.gz KUZLUBWKKLDXPL-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000995081731 663374409 /nfs/dbraw/zinc/37/44/09/663374409.db2.gz POZHPMOZCUVXLP-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000940526047 663374640 /nfs/dbraw/zinc/37/46/40/663374640.db2.gz NOGATSWPOXNEOM-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCNC1=O ZINC001031898368 663376248 /nfs/dbraw/zinc/37/62/48/663376248.db2.gz IEBJLAODVZIKOZ-LLVKDONJSA-N 1 1 322.365 -1.681 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940611062 663376557 /nfs/dbraw/zinc/37/65/57/663376557.db2.gz MMFJXMMZCBZIKR-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1c(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001031898183 663376569 /nfs/dbraw/zinc/37/65/69/663376569.db2.gz CHSOFFYNWHUNDP-SECBINFHSA-N 1 1 321.337 -1.408 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1=O ZINC001031900351 663377369 /nfs/dbraw/zinc/37/73/69/663377369.db2.gz OUXJUNIDHMZCRQ-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000940596592 663377816 /nfs/dbraw/zinc/37/78/16/663377816.db2.gz QJCYARVPAZIDMX-LBPRGKRZSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000940596592 663377821 /nfs/dbraw/zinc/37/78/21/663377821.db2.gz QJCYARVPAZIDMX-LBPRGKRZSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995086918 663377834 /nfs/dbraw/zinc/37/78/34/663377834.db2.gz RPLBZJBTQGSQEZ-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000940594877 663377855 /nfs/dbraw/zinc/37/78/55/663377855.db2.gz SZHPWAANRJVENU-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000940594877 663377856 /nfs/dbraw/zinc/37/78/56/663377856.db2.gz SZHPWAANRJVENU-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031900996 663377898 /nfs/dbraw/zinc/37/78/98/663377898.db2.gz IVMGRLVHEDAGDS-WDEREUQCSA-N 1 1 309.370 -1.711 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031901576 663378131 /nfs/dbraw/zinc/37/81/31/663378131.db2.gz DUUDXGJMCOEJDU-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940616062 663378478 /nfs/dbraw/zinc/37/84/78/663378478.db2.gz QURDGFVDUUXJQT-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1CCNC1=O ZINC001031903153 663379280 /nfs/dbraw/zinc/37/92/80/663379280.db2.gz WALFQKISCGIXOW-JTQLQIEISA-N 1 1 323.353 -2.278 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1=O ZINC001031912049 663380315 /nfs/dbraw/zinc/38/03/15/663380315.db2.gz HQCHRUFKQYSOIX-GHMZBOCLSA-N 1 1 322.365 -1.682 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000940794276 663380330 /nfs/dbraw/zinc/38/03/30/663380330.db2.gz PLVMSJBYDSUUNK-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000940794276 663380332 /nfs/dbraw/zinc/38/03/32/663380332.db2.gz PLVMSJBYDSUUNK-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000940806788 663380358 /nfs/dbraw/zinc/38/03/58/663380358.db2.gz AOBIVIJKUGBULE-VHSXEESVSA-N 1 1 312.370 -1.207 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000940793047 663380549 /nfs/dbraw/zinc/38/05/49/663380549.db2.gz DNUVUYRZZLUILX-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000940793047 663380551 /nfs/dbraw/zinc/38/05/51/663380551.db2.gz DNUVUYRZZLUILX-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000940793048 663380704 /nfs/dbraw/zinc/38/07/04/663380704.db2.gz DNUVUYRZZLUILX-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000940793048 663380705 /nfs/dbraw/zinc/38/07/05/663380705.db2.gz DNUVUYRZZLUILX-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)c1=O ZINC000940850601 663380724 /nfs/dbraw/zinc/38/07/24/663380724.db2.gz ITZDXJAMPRZRRP-LLVKDONJSA-N 1 1 311.386 -1.209 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031916666 663382095 /nfs/dbraw/zinc/38/20/95/663382095.db2.gz DUUDXGJMCOEJDU-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964921 663382250 /nfs/dbraw/zinc/38/22/50/663382250.db2.gz DKAJEEXMLFWYME-VHSXEESVSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964921 663382252 /nfs/dbraw/zinc/38/22/52/663382252.db2.gz DKAJEEXMLFWYME-VHSXEESVSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962572 663382278 /nfs/dbraw/zinc/38/22/78/663382278.db2.gz ZNNOAAPSGHYCSV-BDAKNGLRSA-N 1 1 309.374 -1.086 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962572 663382279 /nfs/dbraw/zinc/38/22/79/663382279.db2.gz ZNNOAAPSGHYCSV-BDAKNGLRSA-N 1 1 309.374 -1.086 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1COCCO1 ZINC001038074282 663383034 /nfs/dbraw/zinc/38/30/34/663383034.db2.gz BTJLWUVVWOWJLG-NWDGAFQWSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1COCCO1 ZINC001038074282 663383037 /nfs/dbraw/zinc/38/30/37/663383037.db2.gz BTJLWUVVWOWJLG-NWDGAFQWSA-N 1 1 312.370 -1.383 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000940997182 663383108 /nfs/dbraw/zinc/38/31/08/663383108.db2.gz PWXHMYMPMBYVPW-IUCAKERBSA-N 1 1 310.354 -1.506 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993857 663383153 /nfs/dbraw/zinc/38/31/53/663383153.db2.gz OXEGSFLYDBTEID-NXEZZACHSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993857 663383156 /nfs/dbraw/zinc/38/31/56/663383156.db2.gz OXEGSFLYDBTEID-NXEZZACHSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940966368 663383200 /nfs/dbraw/zinc/38/32/00/663383200.db2.gz YIVQZLAPCSGOAO-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940966368 663383202 /nfs/dbraw/zinc/38/32/02/663383202.db2.gz YIVQZLAPCSGOAO-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000941099277 663384595 /nfs/dbraw/zinc/38/45/95/663384595.db2.gz LKYWQZJNXUJLFJ-JTQLQIEISA-N 1 1 312.370 -1.253 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000941208698 663385444 /nfs/dbraw/zinc/38/54/44/663385444.db2.gz XEZMJACDKXPBHN-JTQLQIEISA-N 1 1 312.370 -1.253 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001031933934 663385798 /nfs/dbraw/zinc/38/57/98/663385798.db2.gz SKRTUUOBHDXYPB-NSHDSACASA-N 1 1 305.338 -1.290 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000941237134 663386434 /nfs/dbraw/zinc/38/64/34/663386434.db2.gz IPMHVXDHQCEMOR-NSHDSACASA-N 1 1 324.385 -1.414 20 0 DAADMO NC(=O)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000941290094 663387295 /nfs/dbraw/zinc/38/72/95/663387295.db2.gz CFNHWVGJPAYLQQ-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995137623 663387382 /nfs/dbraw/zinc/38/73/82/663387382.db2.gz UTRGPHXLTZOZEF-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995137620 663387466 /nfs/dbraw/zinc/38/74/66/663387466.db2.gz UTRGPHXLTZOZEF-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000941304782 663388095 /nfs/dbraw/zinc/38/80/95/663388095.db2.gz QFFPOKDEBMMJKU-UHFFFAOYSA-N 1 1 309.374 -1.852 20 0 DAADMO Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031943631 663388154 /nfs/dbraw/zinc/38/81/54/663388154.db2.gz AYKIXKHUJVELHF-GFCCVEGCSA-N 1 1 306.370 -1.042 20 0 DAADMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031942590 663389319 /nfs/dbraw/zinc/38/93/19/663389319.db2.gz OGKSASVKIMNNEW-RYUDHWBXSA-N 1 1 323.397 -1.275 20 0 DAADMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031942589 663389400 /nfs/dbraw/zinc/38/94/00/663389400.db2.gz OGKSASVKIMNNEW-NWDGAFQWSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031942884 663389627 /nfs/dbraw/zinc/38/96/27/663389627.db2.gz UWZZWYYEPHKUCB-KCJUWKMLSA-N 1 1 309.370 -1.617 20 0 DAADMO NC(=O)CC(=O)N1CCN(C2C[NH+](CCn3cccn3)C2)CC1 ZINC000941353161 663391028 /nfs/dbraw/zinc/39/10/28/663391028.db2.gz NKYQHPWQUNTPQX-UHFFFAOYSA-N 1 1 320.397 -1.413 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941370196 663391385 /nfs/dbraw/zinc/39/13/85/663391385.db2.gz SZLXIEYBLFWMES-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nccc1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941391735 663391490 /nfs/dbraw/zinc/39/14/90/663391490.db2.gz FUZQJDFDTPMUBG-UHFFFAOYSA-N 1 1 307.398 -1.217 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941384075 663392078 /nfs/dbraw/zinc/39/20/78/663392078.db2.gz UTNVUVAJUUYQND-UHFFFAOYSA-N 1 1 310.358 -2.196 20 0 DAADMO O=C(CN1CCOCC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941378599 663392343 /nfs/dbraw/zinc/39/23/43/663392343.db2.gz YKNXQJPACVMDBO-UHFFFAOYSA-N 1 1 312.414 -1.861 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)C3CN(C(C)=O)C3)CC2)C1 ZINC000941386786 663392361 /nfs/dbraw/zinc/39/23/61/663392361.db2.gz OKTMAVQZZHTAJR-UHFFFAOYSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c1N ZINC000941386588 663392366 /nfs/dbraw/zinc/39/23/66/663392366.db2.gz KGMBHGOOQKNWLN-UHFFFAOYSA-N 1 1 308.386 -1.563 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC000941383724 663392416 /nfs/dbraw/zinc/39/24/16/663392416.db2.gz GUHCKDCSMWKVDR-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)CC[N@H+]1C ZINC000941413885 663393434 /nfs/dbraw/zinc/39/34/34/663393434.db2.gz IRBAXWZNGJNEKM-TZMCWYRMSA-N 1 1 323.441 -1.360 20 0 DAADMO CC[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC1=O ZINC000941443438 663393779 /nfs/dbraw/zinc/39/37/79/663393779.db2.gz OULJGCFKLMQMFE-MRXNPFEDSA-N 1 1 324.425 -1.277 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941463009 663394475 /nfs/dbraw/zinc/39/44/75/663394475.db2.gz IFZPUICKMJAKDS-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941471390 663395335 /nfs/dbraw/zinc/39/53/35/663395335.db2.gz ZIXPNCWJQHYYBV-GFCCVEGCSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941479681 663395646 /nfs/dbraw/zinc/39/56/46/663395646.db2.gz PSTYXECCTNHFSN-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)ncc1=O ZINC000941491201 663395663 /nfs/dbraw/zinc/39/56/63/663395663.db2.gz LSEOFGGXTCRWQP-UHFFFAOYSA-N 1 1 321.381 -1.785 20 0 DAADMO COc1cnc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nc1 ZINC000941479623 663395691 /nfs/dbraw/zinc/39/56/91/663395691.db2.gz MSQLGQJDCIYNEA-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO CCn1cc(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nn1 ZINC000941500103 663396306 /nfs/dbraw/zinc/39/63/06/663396306.db2.gz LZXMEOGXXXBECH-UHFFFAOYSA-N 1 1 322.413 -1.339 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000941509797 663396392 /nfs/dbraw/zinc/39/63/92/663396392.db2.gz XQNJVYMDKRNWNZ-KGLIPLIRSA-N 1 1 324.425 -1.027 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)C1 ZINC000941500210 663396442 /nfs/dbraw/zinc/39/64/42/663396442.db2.gz MGXVLZDIJWYFIP-INIZCTEOSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941525401 663396716 /nfs/dbraw/zinc/39/67/16/663396716.db2.gz ZCGXWHFWUCVKPO-ZDUSSCGKSA-N 1 1 310.398 -1.572 20 0 DAADMO Cn1cc(OCC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cn1 ZINC000941538211 663397583 /nfs/dbraw/zinc/39/75/83/663397583.db2.gz WQFWEBOGKCGRRU-UHFFFAOYSA-N 1 1 323.397 -1.380 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC000941544911 663398474 /nfs/dbraw/zinc/39/84/74/663398474.db2.gz FWEFREZABGKIPT-UHFFFAOYSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@@H]1CC[C@H](C[NH+]2CC(N3CCN(C(=O)C(N)=O)CC3)C2)O1 ZINC000941543477 663398491 /nfs/dbraw/zinc/39/84/91/663398491.db2.gz MZZGKIJKCNNNEA-DGCLKSJQSA-N 1 1 310.398 -1.132 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941571065 663398876 /nfs/dbraw/zinc/39/88/76/663398876.db2.gz KHSDXRCWUJZQPW-KGLIPLIRSA-N 1 1 324.425 -1.469 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000941601964 663400070 /nfs/dbraw/zinc/40/00/70/663400070.db2.gz ISZVCKFCPAPGBI-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c1 ZINC000941620284 663401249 /nfs/dbraw/zinc/40/12/49/663401249.db2.gz DIYVATXRACDZSL-UHFFFAOYSA-N 1 1 321.381 -1.452 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC000941635789 663401298 /nfs/dbraw/zinc/40/12/98/663401298.db2.gz YIXBRYYDTJGMHL-UHFFFAOYSA-N 1 1 308.386 -1.178 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000941677277 663401646 /nfs/dbraw/zinc/40/16/46/663401646.db2.gz LFTCBXXTYBXFCB-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000941673844 663401981 /nfs/dbraw/zinc/40/19/81/663401981.db2.gz DYCRLAVJVDASTA-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000941677278 663402027 /nfs/dbraw/zinc/40/20/27/663402027.db2.gz LFTCBXXTYBXFCB-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031966300 663402354 /nfs/dbraw/zinc/40/23/54/663402354.db2.gz DKZVPEZEUDMBFH-LBPRGKRZSA-N 1 1 304.350 -1.065 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c[nH]1 ZINC000941668625 663402367 /nfs/dbraw/zinc/40/23/67/663402367.db2.gz QVEGUGPKLUNDOG-UHFFFAOYSA-N 1 1 321.381 -1.452 20 0 DAADMO O=C(Cn1ccccc1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941665001 663402400 /nfs/dbraw/zinc/40/24/00/663402400.db2.gz MOWKIKQFQSQDKK-UHFFFAOYSA-N 1 1 320.393 -1.331 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792562 663404869 /nfs/dbraw/zinc/40/48/69/663404869.db2.gz YQNNKJCEQIYZBZ-CMPLNLGQSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792562 663404872 /nfs/dbraw/zinc/40/48/72/663404872.db2.gz YQNNKJCEQIYZBZ-CMPLNLGQSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791581 663404896 /nfs/dbraw/zinc/40/48/96/663404896.db2.gz UVSGSQMNFAQUDW-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973709 663405721 /nfs/dbraw/zinc/40/57/21/663405721.db2.gz OGYTXHSWOKVVOL-OUAUKWLOSA-N 1 1 312.370 -1.669 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941852698 663405987 /nfs/dbraw/zinc/40/59/87/663405987.db2.gz MHZMSPMORAPIOB-MVWJERBFSA-N 1 1 323.353 -1.023 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941859587 663406054 /nfs/dbraw/zinc/40/60/54/663406054.db2.gz RFRVEINBNRBSFR-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948378552 663406145 /nfs/dbraw/zinc/40/61/45/663406145.db2.gz XIUMBXNNTIGSNE-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cn[nH]n1 ZINC000995179838 663406200 /nfs/dbraw/zinc/40/62/00/663406200.db2.gz UEZWESGUCBJZRT-CMPLNLGQSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1cnn[nH]1 ZINC000995179838 663406202 /nfs/dbraw/zinc/40/62/02/663406202.db2.gz UEZWESGUCBJZRT-CMPLNLGQSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cnn[nH]1 ZINC000995179838 663406203 /nfs/dbraw/zinc/40/62/03/663406203.db2.gz UEZWESGUCBJZRT-CMPLNLGQSA-N 1 1 320.353 -1.392 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941859433 663406425 /nfs/dbraw/zinc/40/64/25/663406425.db2.gz MFNKZZPKXFBSGP-HBNTYKKESA-N 1 1 312.370 -1.845 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000941870709 663406738 /nfs/dbraw/zinc/40/67/38/663406738.db2.gz RWJBLDRREUQQQI-WWALYXLFSA-N 1 1 322.365 -1.948 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001031977823 663406812 /nfs/dbraw/zinc/40/68/12/663406812.db2.gz JDDLFNSHQTVSKL-PWSUYJOCSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031978536 663407373 /nfs/dbraw/zinc/40/73/73/663407373.db2.gz VJXBYAIJUHODST-CMPLNLGQSA-N 1 1 322.413 -1.146 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001031979753 663408210 /nfs/dbraw/zinc/40/82/10/663408210.db2.gz GYMGUXNGEOUPHL-MNOVXSKESA-N 1 1 322.365 -1.695 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](C)C1 ZINC000941968859 663408584 /nfs/dbraw/zinc/40/85/84/663408584.db2.gz YRSVUGYKHRCCHH-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)CN1CN=NC1=O ZINC000941958255 663408714 /nfs/dbraw/zinc/40/87/14/663408714.db2.gz HMIZGMRBILVOBI-QWRGUYRKSA-N 1 1 324.385 -1.102 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000941999744 663409975 /nfs/dbraw/zinc/40/99/75/663409975.db2.gz VOINNDHIULWRTA-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942055549 663411608 /nfs/dbraw/zinc/41/16/08/663411608.db2.gz AMHOKZKCNWGXLF-VXGBXAGGSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057535 663411993 /nfs/dbraw/zinc/41/19/93/663411993.db2.gz NWOTXVQQPGOHRS-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057535 663411997 /nfs/dbraw/zinc/41/19/97/663411997.db2.gz NWOTXVQQPGOHRS-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000942017695 663412033 /nfs/dbraw/zinc/41/20/33/663412033.db2.gz UBBJCUMCXIERKM-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061059 663412253 /nfs/dbraw/zinc/41/22/53/663412253.db2.gz IEMYZMXRSVCBOR-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061057 663412516 /nfs/dbraw/zinc/41/25/16/663412516.db2.gz IEMYZMXRSVCBOR-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061060 663412616 /nfs/dbraw/zinc/41/26/16/663412616.db2.gz IEMYZMXRSVCBOR-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864963 663413419 /nfs/dbraw/zinc/41/34/19/663413419.db2.gz MJTSRJDNOVCWEW-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864963 663413423 /nfs/dbraw/zinc/41/34/23/663413423.db2.gz MJTSRJDNOVCWEW-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864960 663413547 /nfs/dbraw/zinc/41/35/47/663413547.db2.gz MJTSRJDNOVCWEW-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864960 663413548 /nfs/dbraw/zinc/41/35/48/663413548.db2.gz MJTSRJDNOVCWEW-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864962 663413681 /nfs/dbraw/zinc/41/36/81/663413681.db2.gz MJTSRJDNOVCWEW-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864962 663413685 /nfs/dbraw/zinc/41/36/85/663413685.db2.gz MJTSRJDNOVCWEW-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142907 663413833 /nfs/dbraw/zinc/41/38/33/663413833.db2.gz MBIVMTFWPMHWQY-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142907 663413836 /nfs/dbraw/zinc/41/38/36/663413836.db2.gz MBIVMTFWPMHWQY-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015866956 663414407 /nfs/dbraw/zinc/41/44/07/663414407.db2.gz WXLVZEFWJGKRTJ-IUCAKERBSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015866956 663414413 /nfs/dbraw/zinc/41/44/13/663414413.db2.gz WXLVZEFWJGKRTJ-IUCAKERBSA-N 1 1 309.326 -2.383 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC000947900605 663415146 /nfs/dbraw/zinc/41/51/46/663415146.db2.gz SUDLBXDFKQTLLB-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000942191752 663415148 /nfs/dbraw/zinc/41/51/48/663415148.db2.gz DXEDOWIGXWJULE-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC000947900604 663415256 /nfs/dbraw/zinc/41/52/56/663415256.db2.gz SUDLBXDFKQTLLB-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000942198192 663415494 /nfs/dbraw/zinc/41/54/94/663415494.db2.gz WRUIRMNVCDFMGG-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000942198191 663415585 /nfs/dbraw/zinc/41/55/85/663415585.db2.gz WRUIRMNVCDFMGG-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000942196895 663415693 /nfs/dbraw/zinc/41/56/93/663415693.db2.gz FOXWEUDFOHJHGL-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000942201129 663415926 /nfs/dbraw/zinc/41/59/26/663415926.db2.gz SBHWSFDBARNSBH-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942201697 663416041 /nfs/dbraw/zinc/41/60/41/663416041.db2.gz ZXBQVQMZXMEMGF-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000942214351 663416175 /nfs/dbraw/zinc/41/61/75/663416175.db2.gz SPEFJZJDXQQUMT-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000942214351 663416178 /nfs/dbraw/zinc/41/61/78/663416178.db2.gz SPEFJZJDXQQUMT-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000942204989 663416315 /nfs/dbraw/zinc/41/63/15/663416315.db2.gz UUSYVZVRLXVLOM-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000942255143 663416589 /nfs/dbraw/zinc/41/65/89/663416589.db2.gz BIWUKNUVRWXBAQ-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000942255143 663416590 /nfs/dbraw/zinc/41/65/90/663416590.db2.gz BIWUKNUVRWXBAQ-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000942255142 663416766 /nfs/dbraw/zinc/41/67/66/663416766.db2.gz BIWUKNUVRWXBAQ-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000942255142 663416768 /nfs/dbraw/zinc/41/67/68/663416768.db2.gz BIWUKNUVRWXBAQ-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942247835 663416932 /nfs/dbraw/zinc/41/69/32/663416932.db2.gz OAHXYVMIKXADGS-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942247835 663416933 /nfs/dbraw/zinc/41/69/33/663416933.db2.gz OAHXYVMIKXADGS-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942247837 663417364 /nfs/dbraw/zinc/41/73/64/663417364.db2.gz OAHXYVMIKXADGS-MNOVXSKESA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942247837 663417366 /nfs/dbraw/zinc/41/73/66/663417366.db2.gz OAHXYVMIKXADGS-MNOVXSKESA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)CC2 ZINC000942295350 663418679 /nfs/dbraw/zinc/41/86/79/663418679.db2.gz XEHUJXUHWDOLEI-WDEREUQCSA-N 1 1 319.365 -1.044 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000942308725 663421089 /nfs/dbraw/zinc/42/10/89/663421089.db2.gz ZIMKDWUPVLDXRR-NXEZZACHSA-N 1 1 305.338 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942315439 663421502 /nfs/dbraw/zinc/42/15/02/663421502.db2.gz UJAYXQXQTKYLTG-GHMZBOCLSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312771 663421522 /nfs/dbraw/zinc/42/15/22/663421522.db2.gz CPMQJLSYANDYHP-UWVGGRQHSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312771 663421524 /nfs/dbraw/zinc/42/15/24/663421524.db2.gz CPMQJLSYANDYHP-UWVGGRQHSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312773 663421587 /nfs/dbraw/zinc/42/15/87/663421587.db2.gz CPMQJLSYANDYHP-ZJUUUORDSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312773 663421589 /nfs/dbraw/zinc/42/15/89/663421589.db2.gz CPMQJLSYANDYHP-ZJUUUORDSA-N 1 1 323.353 -1.739 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032014222 663422636 /nfs/dbraw/zinc/42/26/36/663422636.db2.gz ZAPRMLKBUXFGIQ-VHSXEESVSA-N 1 1 323.353 -2.089 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013968 663422942 /nfs/dbraw/zinc/42/29/42/663422942.db2.gz SFXVRJHYBJFDDY-APPZFPTMSA-N 1 1 311.342 -2.233 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)C2 ZINC000942435786 663423453 /nfs/dbraw/zinc/42/34/53/663423453.db2.gz YTWWLJVILNUIGO-GHMZBOCLSA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)C2 ZINC000942435787 663423617 /nfs/dbraw/zinc/42/36/17/663423617.db2.gz YTWWLJVILNUIGO-WDEREUQCSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942462009 663424617 /nfs/dbraw/zinc/42/46/17/663424617.db2.gz VVKMMMNMSZQNQR-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000942514767 663425726 /nfs/dbraw/zinc/42/57/26/663425726.db2.gz XASJVUKKNXZMHE-YPMHNXCESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000942514767 663425727 /nfs/dbraw/zinc/42/57/27/663425727.db2.gz XASJVUKKNXZMHE-YPMHNXCESA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522613 663425923 /nfs/dbraw/zinc/42/59/23/663425923.db2.gz DXBZCALFHGWARO-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522613 663425925 /nfs/dbraw/zinc/42/59/25/663425925.db2.gz DXBZCALFHGWARO-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](C)C1 ZINC000942522683 663426006 /nfs/dbraw/zinc/42/60/06/663426006.db2.gz FROLOJHUHPDSSI-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC000942560915 663426224 /nfs/dbraw/zinc/42/62/24/663426224.db2.gz YOXNWCWDNMYLLN-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942560460 663426482 /nfs/dbraw/zinc/42/64/82/663426482.db2.gz QKYLVBUWVTUPIR-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562049 663426518 /nfs/dbraw/zinc/42/65/18/663426518.db2.gz GNYHTVFTUQNKIL-KOLCDFICSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562049 663426520 /nfs/dbraw/zinc/42/65/20/663426520.db2.gz GNYHTVFTUQNKIL-KOLCDFICSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942561669 663426541 /nfs/dbraw/zinc/42/65/41/663426541.db2.gz AYBTXSLAMCVOON-UWVGGRQHSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942561671 663426824 /nfs/dbraw/zinc/42/68/24/663426824.db2.gz AYBTXSLAMCVOON-ZJUUUORDSA-N 1 1 309.374 -1.262 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942596331 663427314 /nfs/dbraw/zinc/42/73/14/663427314.db2.gz ZEGPQJKXVJOYJW-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](C)C1 ZINC000942589244 663427376 /nfs/dbraw/zinc/42/73/76/663427376.db2.gz VFSNMJLBRWHXDY-VHSXEESVSA-N 1 1 307.354 -1.044 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2CCc2ccnn2C)n1 ZINC001038600177 663427730 /nfs/dbraw/zinc/42/77/30/663427730.db2.gz HBZPUOYPOFHDKA-LLVKDONJSA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2CCc2ccnn2C)n1 ZINC001038600177 663427731 /nfs/dbraw/zinc/42/77/31/663427731.db2.gz HBZPUOYPOFHDKA-LLVKDONJSA-N 1 1 304.358 -1.010 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942692745 663428346 /nfs/dbraw/zinc/42/83/46/663428346.db2.gz ATJIOINIJJCGFM-MVWJERBFSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942692745 663428347 /nfs/dbraw/zinc/42/83/47/663428347.db2.gz ATJIOINIJJCGFM-MVWJERBFSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942692745 663428348 /nfs/dbraw/zinc/42/83/48/663428348.db2.gz ATJIOINIJJCGFM-MVWJERBFSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N1CCOCC1 ZINC000995266236 663428381 /nfs/dbraw/zinc/42/83/81/663428381.db2.gz DSMZJUYUORYICE-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000995277458 663429464 /nfs/dbraw/zinc/42/94/64/663429464.db2.gz ZUINIZKTAFMUCK-KOLCDFICSA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052487 663430587 /nfs/dbraw/zinc/43/05/87/663430587.db2.gz MYRNSDKGBSMRIY-VIFPVBQESA-N 1 1 324.381 -1.436 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000995307438 663432221 /nfs/dbraw/zinc/43/22/21/663432221.db2.gz YMBUDKXQKCFWOF-NXEZZACHSA-N 1 1 322.365 -1.682 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000943230240 663432962 /nfs/dbraw/zinc/43/29/62/663432962.db2.gz FTFIFMVLVJKAGU-CMPLNLGQSA-N 1 1 324.381 -1.484 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000943601100 663436584 /nfs/dbraw/zinc/43/65/84/663436584.db2.gz KICYKHRUJVBVFQ-HBNTYKKESA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943677389 663436872 /nfs/dbraw/zinc/43/68/72/663436872.db2.gz ZXYLATDOWMDOJF-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943677385 663437082 /nfs/dbraw/zinc/43/70/82/663437082.db2.gz ZXYLATDOWMDOJF-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995426629 663441259 /nfs/dbraw/zinc/44/12/59/663441259.db2.gz GZNRZGHGYZTEHN-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032138569 663442315 /nfs/dbraw/zinc/44/23/15/663442315.db2.gz DAOQJJVNEUERDB-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032137434 663442395 /nfs/dbraw/zinc/44/23/95/663442395.db2.gz OOTCDXVUVSUQLO-VHSXEESVSA-N 1 1 308.338 -1.882 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC000944036695 663443645 /nfs/dbraw/zinc/44/36/45/663443645.db2.gz ZMIYFTOJPJWPKH-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032172811 663444055 /nfs/dbraw/zinc/44/40/55/663444055.db2.gz CJOWSISKKGYETB-LLVKDONJSA-N 1 1 307.354 -1.294 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001032173309 663444353 /nfs/dbraw/zinc/44/43/53/663444353.db2.gz YIHVIICFXCWYFS-GFCCVEGCSA-N 1 1 319.365 -1.327 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001032183101 663444746 /nfs/dbraw/zinc/44/47/46/663444746.db2.gz ZWOMMYRXIOEVSQ-NSHDSACASA-N 1 1 308.386 -1.392 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182085 663444901 /nfs/dbraw/zinc/44/49/01/663444901.db2.gz DQRQGPREKIUSLK-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032187860 663445962 /nfs/dbraw/zinc/44/59/62/663445962.db2.gz IZCPPVOVBLJFDL-QMMMGPOBSA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000944156273 663446332 /nfs/dbraw/zinc/44/63/32/663446332.db2.gz SXVJROQUMBHZQU-NXEZZACHSA-N 1 1 320.353 -1.150 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000944185145 663446671 /nfs/dbraw/zinc/44/66/71/663446671.db2.gz ZYEKDTNAHUVGSA-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC000944248525 663448482 /nfs/dbraw/zinc/44/84/82/663448482.db2.gz LKWFZMBIJQXLHF-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC000944248525 663448483 /nfs/dbraw/zinc/44/84/83/663448483.db2.gz LKWFZMBIJQXLHF-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC000944248526 663448559 /nfs/dbraw/zinc/44/85/59/663448559.db2.gz LKWFZMBIJQXLHF-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC000944248526 663448560 /nfs/dbraw/zinc/44/85/60/663448560.db2.gz LKWFZMBIJQXLHF-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)n1 ZINC000944239826 663449234 /nfs/dbraw/zinc/44/92/34/663449234.db2.gz AJAJPDBQBNQCGN-CMPLNLGQSA-N 1 1 321.381 -1.136 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)n1 ZINC000944239826 663449235 /nfs/dbraw/zinc/44/92/35/663449235.db2.gz AJAJPDBQBNQCGN-CMPLNLGQSA-N 1 1 321.381 -1.136 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2=O)C1 ZINC000995475642 663449632 /nfs/dbraw/zinc/44/96/32/663449632.db2.gz RFXZMZIKJJISRZ-YPMHNXCESA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2=O)C1 ZINC000995475642 663449633 /nfs/dbraw/zinc/44/96/33/663449633.db2.gz RFXZMZIKJJISRZ-YPMHNXCESA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2=O)C1 ZINC000995475640 663449790 /nfs/dbraw/zinc/44/97/90/663449790.db2.gz RFXZMZIKJJISRZ-WCQYABFASA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2=O)C1 ZINC000995475640 663449794 /nfs/dbraw/zinc/44/97/94/663449794.db2.gz RFXZMZIKJJISRZ-WCQYABFASA-N 1 1 324.381 -1.735 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@H](C)C(=O)NC)C2)C1 ZINC001032196804 663450119 /nfs/dbraw/zinc/45/01/19/663450119.db2.gz CADZETCDVLUCKS-DGCLKSJQSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@H](C)C(=O)NC)C2)C1 ZINC001032196804 663450121 /nfs/dbraw/zinc/45/01/21/663450121.db2.gz CADZETCDVLUCKS-DGCLKSJQSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001032196802 663450405 /nfs/dbraw/zinc/45/04/05/663450405.db2.gz CADZETCDVLUCKS-AAEUAGOBSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001032196802 663450408 /nfs/dbraw/zinc/45/04/08/663450408.db2.gz CADZETCDVLUCKS-AAEUAGOBSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197684 663450503 /nfs/dbraw/zinc/45/05/03/663450503.db2.gz TZXWKKYVSNBAOR-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197684 663450506 /nfs/dbraw/zinc/45/05/06/663450506.db2.gz TZXWKKYVSNBAOR-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)C1 ZINC001032202198 663452242 /nfs/dbraw/zinc/45/22/42/663452242.db2.gz OXDYKUCVGQUQJR-STQMWFEESA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)C1 ZINC001032202198 663452244 /nfs/dbraw/zinc/45/22/44/663452244.db2.gz OXDYKUCVGQUQJR-STQMWFEESA-N 1 1 310.398 -1.356 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2COCCO2)CC1(C)C ZINC000995499103 663454278 /nfs/dbraw/zinc/45/42/78/663454278.db2.gz GGVMVQWUPOIBRH-QWRGUYRKSA-N 1 1 324.385 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2ncn[n-]2)CCO1 ZINC000944518712 663454487 /nfs/dbraw/zinc/45/44/87/663454487.db2.gz GAHXZBOKGSMELZ-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518712 663454491 /nfs/dbraw/zinc/45/44/91/663454491.db2.gz GAHXZBOKGSMELZ-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518712 663454496 /nfs/dbraw/zinc/45/44/96/663454496.db2.gz GAHXZBOKGSMELZ-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524909 663456831 /nfs/dbraw/zinc/45/68/31/663456831.db2.gz ATRHFPSAWOZNQF-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524909 663456836 /nfs/dbraw/zinc/45/68/36/663456836.db2.gz ATRHFPSAWOZNQF-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)C1 ZINC000944598273 663459469 /nfs/dbraw/zinc/45/94/69/663459469.db2.gz AGVSZDLHRQZLQP-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001032211790 663460870 /nfs/dbraw/zinc/46/08/70/663460870.db2.gz ZIRSNVMBCUEHHM-LLVKDONJSA-N 1 1 321.381 -1.384 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3cn[nH]n3)C2)C1 ZINC000944663818 663461942 /nfs/dbraw/zinc/46/19/42/663461942.db2.gz IYPUZKYSYBODFY-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663818 663461943 /nfs/dbraw/zinc/46/19/43/663461943.db2.gz IYPUZKYSYBODFY-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663818 663461944 /nfs/dbraw/zinc/46/19/44/663461944.db2.gz IYPUZKYSYBODFY-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944812002 663467934 /nfs/dbraw/zinc/46/79/34/663467934.db2.gz RNXMPDBDTPKWCG-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000944814370 663468261 /nfs/dbraw/zinc/46/82/61/663468261.db2.gz YSGOBLZEUDYDDX-MNOVXSKESA-N 1 1 312.370 -1.301 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948567036 663468840 /nfs/dbraw/zinc/46/88/40/663468840.db2.gz SSVUHUKIWOXROD-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944907578 663469028 /nfs/dbraw/zinc/46/90/28/663469028.db2.gz NUXWKUCGDXKXOZ-MWLCHTKSSA-N 1 1 310.354 -1.082 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032227473 663469834 /nfs/dbraw/zinc/46/98/34/663469834.db2.gz TVPZGOLWTTXGLO-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945028959 663469860 /nfs/dbraw/zinc/46/98/60/663469860.db2.gz BGDAIEDJQAEMHJ-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945028959 663469861 /nfs/dbraw/zinc/46/98/61/663469861.db2.gz BGDAIEDJQAEMHJ-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945033174 663470194 /nfs/dbraw/zinc/47/01/94/663470194.db2.gz GPJCIOQTFFGYIY-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945033173 663470211 /nfs/dbraw/zinc/47/02/11/663470211.db2.gz GPJCIOQTFFGYIY-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 ZINC000945183544 663471498 /nfs/dbraw/zinc/47/14/98/663471498.db2.gz RGDNKYYOXGLIJU-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225852 663471819 /nfs/dbraw/zinc/47/18/19/663471819.db2.gz VPIZNDWBGRRJRO-VHSXEESVSA-N 1 1 309.370 -1.351 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225852 663471821 /nfs/dbraw/zinc/47/18/21/663471821.db2.gz VPIZNDWBGRRJRO-VHSXEESVSA-N 1 1 309.370 -1.351 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000995680305 663472315 /nfs/dbraw/zinc/47/23/15/663472315.db2.gz YDOAIMSZELAGCD-VIFPVBQESA-N 1 1 322.365 -1.682 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cnnn2)CC1 ZINC000945286253 663472761 /nfs/dbraw/zinc/47/27/61/663472761.db2.gz JGTWVGSXHOKNPS-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000995686990 663472862 /nfs/dbraw/zinc/47/28/62/663472862.db2.gz AFCHSHSBNOJSHX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000995686990 663472863 /nfs/dbraw/zinc/47/28/63/663472863.db2.gz AFCHSHSBNOJSHX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC000945399916 663474240 /nfs/dbraw/zinc/47/42/40/663474240.db2.gz UVWHSMUSWPOAKL-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269575 663477087 /nfs/dbraw/zinc/47/70/87/663477087.db2.gz WLPBPWOZEYXNJG-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269575 663477090 /nfs/dbraw/zinc/47/70/90/663477090.db2.gz WLPBPWOZEYXNJG-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032289626 663482006 /nfs/dbraw/zinc/48/20/06/663482006.db2.gz CJYUCCIJQPUJRZ-AVGNSLFASA-N 1 1 307.354 -1.021 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032289626 663482008 /nfs/dbraw/zinc/48/20/08/663482008.db2.gz CJYUCCIJQPUJRZ-AVGNSLFASA-N 1 1 307.354 -1.021 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)CC2(C)C)n1 ZINC000995799125 663482534 /nfs/dbraw/zinc/48/25/34/663482534.db2.gz VQOJHULQWJMPDW-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)Cn2nccn2)CC1(C)C ZINC000995857680 663482629 /nfs/dbraw/zinc/48/26/29/663482629.db2.gz FWGVEZYJQMQSPR-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000996060884 663482722 /nfs/dbraw/zinc/48/27/22/663482722.db2.gz RTZHMXDRYCSTCQ-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC000995968721 663483033 /nfs/dbraw/zinc/48/30/33/663483033.db2.gz JACXCSVJGVSFJN-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC000995968721 663483034 /nfs/dbraw/zinc/48/30/34/663483034.db2.gz JACXCSVJGVSFJN-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000996060660 663483223 /nfs/dbraw/zinc/48/32/23/663483223.db2.gz PTBVKEQDBHPYSK-UHFFFAOYSA-N 1 1 318.341 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000996071756 663483443 /nfs/dbraw/zinc/48/34/43/663483443.db2.gz YHEFPHSBPLIXOY-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC1(C)C ZINC000996120919 663483484 /nfs/dbraw/zinc/48/34/84/663483484.db2.gz ACDBBUCXHDODNN-VHSXEESVSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996216919 663483960 /nfs/dbraw/zinc/48/39/60/663483960.db2.gz XYYIYRJWMGAQTD-NXEZZACHSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996216904 663484071 /nfs/dbraw/zinc/48/40/71/663484071.db2.gz XTZHBRLXDIUZNB-ZJUUUORDSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C ZINC000996303914 663485681 /nfs/dbraw/zinc/48/56/81/663485681.db2.gz JSEYUQIBVRFNRW-UTLUCORTSA-N 1 1 321.385 -1.342 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996438440 663486130 /nfs/dbraw/zinc/48/61/30/663486130.db2.gz ZRFBSNFRZLOTIX-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000996442403 663486511 /nfs/dbraw/zinc/48/65/11/663486511.db2.gz HCYUBCQPZPKFGK-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000996442971 663486762 /nfs/dbraw/zinc/48/67/62/663486762.db2.gz QVTQNVHWBGGXLN-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000996439254 663487104 /nfs/dbraw/zinc/48/71/04/663487104.db2.gz BJTYBGYSMLYBOQ-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000996443637 663487110 /nfs/dbraw/zinc/48/71/10/663487110.db2.gz OHRAFCPSVJYQLT-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC000996580895 663488648 /nfs/dbraw/zinc/48/86/48/663488648.db2.gz HHXJPQQMKJONFI-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)Cn3nccn3)CC2)n1 ZINC000996624850 663489692 /nfs/dbraw/zinc/48/96/92/663489692.db2.gz MPFFGOXEBOKJSU-UHFFFAOYSA-N 1 1 305.346 -1.418 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)CC1=O ZINC000996651593 663489844 /nfs/dbraw/zinc/48/98/44/663489844.db2.gz BREVUAQFVXNPDJ-JTQLQIEISA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)n1 ZINC000996699882 663490150 /nfs/dbraw/zinc/49/01/50/663490150.db2.gz ZZTQCZKBBQBGNL-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)n1 ZINC000996707483 663490974 /nfs/dbraw/zinc/49/09/74/663490974.db2.gz RWRYJIKGYUJADB-LLVKDONJSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)n1 ZINC000996756541 663492049 /nfs/dbraw/zinc/49/20/49/663492049.db2.gz JLRXTESZZRKNKE-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735047739 663494308 /nfs/dbraw/zinc/49/43/08/663494308.db2.gz ACYMJMIQNQEPSK-JTQLQIEISA-N 1 1 310.354 -1.466 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735035782 663495141 /nfs/dbraw/zinc/49/51/41/663495141.db2.gz HBERTBASXNHVCW-UHFFFAOYSA-N 1 1 312.370 -1.218 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735051147 663495344 /nfs/dbraw/zinc/49/53/44/663495344.db2.gz FESWELLFGVWZKR-LLVKDONJSA-N 1 1 323.397 -1.550 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015969610 663496303 /nfs/dbraw/zinc/49/63/03/663496303.db2.gz CMJTXSFUIBERSM-SECBINFHSA-N 1 1 321.341 -1.911 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015969611 663496553 /nfs/dbraw/zinc/49/65/53/663496553.db2.gz CMJTXSFUIBERSM-VIFPVBQESA-N 1 1 321.341 -1.911 20 0 DAADMO COCCc1noc(C[NH2+]C2CCN(C(=O)C(N)=O)CC2)n1 ZINC000996943460 663498869 /nfs/dbraw/zinc/49/88/69/663498869.db2.gz WLWNTJVCXGFCLP-UHFFFAOYSA-N 1 1 311.342 -1.176 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC000996933262 663499084 /nfs/dbraw/zinc/49/90/84/663499084.db2.gz VHMVKKDVACGGOV-VIFPVBQESA-N 1 1 308.346 -2.028 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032360994 663499951 /nfs/dbraw/zinc/49/99/51/663499951.db2.gz AWNJNCPSZOPXDW-IHRRRGAJSA-N 1 1 322.409 -1.118 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)n1 ZINC000996992590 663500600 /nfs/dbraw/zinc/50/06/00/663500600.db2.gz WGEZSGNGJQCKAT-CQSZACIVSA-N 1 1 321.385 -1.183 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997054112 663501671 /nfs/dbraw/zinc/50/16/71/663501671.db2.gz OTPPJFTXTRAZAP-UQACVICXSA-N 1 1 322.365 -1.948 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)n1 ZINC000997089206 663502338 /nfs/dbraw/zinc/50/23/38/663502338.db2.gz GUPALRWTYRTOLO-NSHDSACASA-N 1 1 321.385 -1.041 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)C1 ZINC001032376568 663502480 /nfs/dbraw/zinc/50/24/80/663502480.db2.gz PTKQVGVAGLNNBN-AVGNSLFASA-N 1 1 306.366 -1.362 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)C1 ZINC001032376568 663502481 /nfs/dbraw/zinc/50/24/81/663502481.db2.gz PTKQVGVAGLNNBN-AVGNSLFASA-N 1 1 306.366 -1.362 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925341956 663504278 /nfs/dbraw/zinc/50/42/78/663504278.db2.gz QTDJEOXYAIBHDM-WDEREUQCSA-N 1 1 319.431 -1.130 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925341947 663504540 /nfs/dbraw/zinc/50/45/40/663504540.db2.gz QTDJEOXYAIBHDM-MNOVXSKESA-N 1 1 319.431 -1.130 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032406047 663506119 /nfs/dbraw/zinc/50/61/19/663506119.db2.gz HBJSBWWWMWBJHS-GUBZILKMSA-N 1 1 319.325 -2.237 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032406047 663506121 /nfs/dbraw/zinc/50/61/21/663506121.db2.gz HBJSBWWWMWBJHS-GUBZILKMSA-N 1 1 319.325 -2.237 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)n1 ZINC001032412241 663506387 /nfs/dbraw/zinc/50/63/87/663506387.db2.gz OEAMJAHOMVZNDS-UWVGGRQHSA-N 1 1 308.342 -1.956 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412482 663507506 /nfs/dbraw/zinc/50/75/06/663507506.db2.gz ZFWBQZCYSNPDKF-GUBZILKMSA-N 1 1 308.342 -1.957 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000997236506 663507959 /nfs/dbraw/zinc/50/79/59/663507959.db2.gz SMJPLBBEAFLOIK-ZDUSSCGKSA-N 1 1 321.381 -1.082 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000997236506 663507960 /nfs/dbraw/zinc/50/79/60/663507960.db2.gz SMJPLBBEAFLOIK-ZDUSSCGKSA-N 1 1 321.381 -1.082 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032425374 663510058 /nfs/dbraw/zinc/51/00/58/663510058.db2.gz OPNLMZVJTMTHCP-DCAQKATOSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032425374 663510059 /nfs/dbraw/zinc/51/00/59/663510059.db2.gz OPNLMZVJTMTHCP-DCAQKATOSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032452550 663510934 /nfs/dbraw/zinc/51/09/34/663510934.db2.gz DGOAFSKPFNZTFC-BJDJZHNGSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032461706 663511928 /nfs/dbraw/zinc/51/19/28/663511928.db2.gz USMWTZDUZAANJO-DCAQKATOSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032461706 663511935 /nfs/dbraw/zinc/51/19/35/663511935.db2.gz USMWTZDUZAANJO-DCAQKATOSA-N 1 1 303.322 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997411120 663515158 /nfs/dbraw/zinc/51/51/58/663515158.db2.gz PLCUGILLFVDECQ-QWRGUYRKSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997411120 663515159 /nfs/dbraw/zinc/51/51/59/663515159.db2.gz PLCUGILLFVDECQ-QWRGUYRKSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997428958 663517118 /nfs/dbraw/zinc/51/71/18/663517118.db2.gz CACSXXDZEGXZQI-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997429917 663517145 /nfs/dbraw/zinc/51/71/45/663517145.db2.gz FDZCXSWZFSITPG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997429917 663517147 /nfs/dbraw/zinc/51/71/47/663517147.db2.gz FDZCXSWZFSITPG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997440398 663517694 /nfs/dbraw/zinc/51/76/94/663517694.db2.gz DOWGSYFRKALYEB-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000997441237 663517960 /nfs/dbraw/zinc/51/79/60/663517960.db2.gz ISYPIKVVBSWKGT-MNOVXSKESA-N 1 1 309.370 -1.569 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000997441239 663518049 /nfs/dbraw/zinc/51/80/49/663518049.db2.gz ISYPIKVVBSWKGT-WDEREUQCSA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000997447118 663518703 /nfs/dbraw/zinc/51/87/03/663518703.db2.gz HVRIOENCGXJIPY-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000997447114 663518835 /nfs/dbraw/zinc/51/88/35/663518835.db2.gz HVRIOENCGXJIPY-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 ZINC001032483024 663519497 /nfs/dbraw/zinc/51/94/97/663519497.db2.gz OLJWRBLGYNXLDL-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000947925222 663519555 /nfs/dbraw/zinc/51/95/55/663519555.db2.gz LVZXYRPTCOEWTG-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000997452121 663519563 /nfs/dbraw/zinc/51/95/63/663519563.db2.gz QBJHIBVGLRAUIF-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000997452122 663519706 /nfs/dbraw/zinc/51/97/06/663519706.db2.gz QBJHIBVGLRAUIF-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486309 663519818 /nfs/dbraw/zinc/51/98/18/663519818.db2.gz NQMKFJMUDDTWPB-WOPDTQHZSA-N 1 1 309.370 -1.098 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ncc1=O ZINC000997524768 663520675 /nfs/dbraw/zinc/52/06/75/663520675.db2.gz KORYUCGSKAWXNR-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032493750 663520882 /nfs/dbraw/zinc/52/08/82/663520882.db2.gz JTVKEQLGRHYHPC-NRPADANISA-N 1 1 304.310 -1.491 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032493750 663520884 /nfs/dbraw/zinc/52/08/84/663520884.db2.gz JTVKEQLGRHYHPC-NRPADANISA-N 1 1 304.310 -1.491 20 0 DAADMO COCCn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)ccc1=O ZINC001032507847 663521532 /nfs/dbraw/zinc/52/15/32/663521532.db2.gz NCBTXGDRGBZTQS-RYUDHWBXSA-N 1 1 322.365 -1.219 20 0 DAADMO COCCn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)ccc1=O ZINC001032507847 663521533 /nfs/dbraw/zinc/52/15/33/663521533.db2.gz NCBTXGDRGBZTQS-RYUDHWBXSA-N 1 1 322.365 -1.219 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC000997616751 663521827 /nfs/dbraw/zinc/52/18/27/663521827.db2.gz FMDYKWRWZMAYQS-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)ncc1=O ZINC001032530018 663522687 /nfs/dbraw/zinc/52/26/87/663522687.db2.gz DAHGCMINHUZNDP-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)ncc1=O ZINC001032530018 663522689 /nfs/dbraw/zinc/52/26/89/663522689.db2.gz DAHGCMINHUZNDP-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O ZINC001032539484 663523105 /nfs/dbraw/zinc/52/31/05/663523105.db2.gz RJRFTRLIBMFFMX-WOPDTQHZSA-N 1 1 309.370 -1.362 20 0 DAADMO C[NH+]1CCC(OCC(=O)N2CC(NC(=O)c3ncn[nH]3)C2)CC1 ZINC000997811704 663526695 /nfs/dbraw/zinc/52/66/95/663526695.db2.gz KEJAJYWBYDRLPN-UHFFFAOYSA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+]1CCC(OCC(=O)N2CC(NC(=O)c3nc[nH]n3)C2)CC1 ZINC000997811704 663526698 /nfs/dbraw/zinc/52/66/98/663526698.db2.gz KEJAJYWBYDRLPN-UHFFFAOYSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)n1 ZINC000997868610 663528990 /nfs/dbraw/zinc/52/89/90/663528990.db2.gz IWFLXUWPYKHXMM-AWEZNQCLSA-N 1 1 319.369 -1.363 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997875293 663529586 /nfs/dbraw/zinc/52/95/86/663529586.db2.gz IPQRZDLAPZTDEM-UHFFFAOYSA-N 1 1 304.314 -1.644 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032561372 663530742 /nfs/dbraw/zinc/53/07/42/663530742.db2.gz MXWHRQYFLAVVRG-SRVKXCTJSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032561372 663530743 /nfs/dbraw/zinc/53/07/43/663530743.db2.gz MXWHRQYFLAVVRG-SRVKXCTJSA-N 1 1 304.354 -1.301 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000997916782 663531342 /nfs/dbraw/zinc/53/13/42/663531342.db2.gz OPYKWRPCYNDDPA-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000997916782 663531345 /nfs/dbraw/zinc/53/13/45/663531345.db2.gz OPYKWRPCYNDDPA-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032572821 663531402 /nfs/dbraw/zinc/53/14/02/663531402.db2.gz BIQMVGXLHWRNTJ-LPEHRKFASA-N 1 1 305.342 -1.613 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032572821 663531404 /nfs/dbraw/zinc/53/14/04/663531404.db2.gz BIQMVGXLHWRNTJ-LPEHRKFASA-N 1 1 305.342 -1.613 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)C1=O ZINC001032571533 663531478 /nfs/dbraw/zinc/53/14/78/663531478.db2.gz ISPBHZGZGIZNGK-GARJFASQSA-N 1 1 319.369 -1.270 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)C1=O ZINC001032571533 663531482 /nfs/dbraw/zinc/53/14/82/663531482.db2.gz ISPBHZGZGIZNGK-GARJFASQSA-N 1 1 319.369 -1.270 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000997915043 663532139 /nfs/dbraw/zinc/53/21/39/663532139.db2.gz FVGOQXFTDNJFPM-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000997947590 663533840 /nfs/dbraw/zinc/53/38/40/663533840.db2.gz JQZAKTORJSLRKP-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC000998014736 663534301 /nfs/dbraw/zinc/53/43/01/663534301.db2.gz IGCBORFJUYVPEQ-JTQLQIEISA-N 1 1 322.373 -1.780 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001032595328 663535240 /nfs/dbraw/zinc/53/52/40/663535240.db2.gz MJSXQAGYUNRMCN-AVGNSLFASA-N 1 1 318.381 -1.071 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001032595328 663535243 /nfs/dbraw/zinc/53/52/43/663535243.db2.gz MJSXQAGYUNRMCN-AVGNSLFASA-N 1 1 318.381 -1.071 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)cn1 ZINC001032595329 663535496 /nfs/dbraw/zinc/53/54/96/663535496.db2.gz MJSXQAGYUNRMCN-RWMBFGLXSA-N 1 1 318.381 -1.071 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CNC(=O)N2)cn1 ZINC001032595329 663535498 /nfs/dbraw/zinc/53/54/98/663535498.db2.gz MJSXQAGYUNRMCN-RWMBFGLXSA-N 1 1 318.381 -1.071 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998102797 663536656 /nfs/dbraw/zinc/53/66/56/663536656.db2.gz NKZRITQMMVVAAL-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000998138104 663536888 /nfs/dbraw/zinc/53/68/88/663536888.db2.gz YXNGIIICECCDRN-BXUZGUMPSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000998138104 663536889 /nfs/dbraw/zinc/53/68/89/663536889.db2.gz YXNGIIICECCDRN-BXUZGUMPSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000998138107 663536944 /nfs/dbraw/zinc/53/69/44/663536944.db2.gz YXNGIIICECCDRN-SMDDNHRTSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000998138107 663536945 /nfs/dbraw/zinc/53/69/45/663536945.db2.gz YXNGIIICECCDRN-SMDDNHRTSA-N 1 1 315.345 -1.227 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001032600892 663537023 /nfs/dbraw/zinc/53/70/23/663537023.db2.gz ZIDHEHSSJWLBDA-GARJFASQSA-N 1 1 306.366 -1.184 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001032600892 663537025 /nfs/dbraw/zinc/53/70/25/663537025.db2.gz ZIDHEHSSJWLBDA-GARJFASQSA-N 1 1 306.366 -1.184 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3nc[nH]n3)CC2)n1 ZINC000998161890 663537495 /nfs/dbraw/zinc/53/74/95/663537495.db2.gz UDYUDXWUYRDELA-UHFFFAOYSA-N 1 1 305.346 -1.030 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cnon1 ZINC000998235740 663538515 /nfs/dbraw/zinc/53/85/15/663538515.db2.gz ITVDJRRMGQMIOY-CMPLNLGQSA-N 1 1 321.337 -1.127 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnon3)C2)O1 ZINC000998245147 663538837 /nfs/dbraw/zinc/53/88/37/663538837.db2.gz RPMQKKGSSYIGBZ-LDYMZIIASA-N 1 1 309.326 -1.271 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnon3)C2)O1 ZINC000998245147 663538839 /nfs/dbraw/zinc/53/88/39/663538839.db2.gz RPMQKKGSSYIGBZ-LDYMZIIASA-N 1 1 309.326 -1.271 20 0 DAADMO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946499822 663540035 /nfs/dbraw/zinc/54/00/35/663540035.db2.gz ZYMXEWGKGUIDSO-PHIMTYICSA-N 1 1 317.411 -1.313 20 0 DAADMO CS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946499822 663540037 /nfs/dbraw/zinc/54/00/37/663540037.db2.gz ZYMXEWGKGUIDSO-PHIMTYICSA-N 1 1 317.411 -1.313 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)C(N)=O ZINC000946503289 663540406 /nfs/dbraw/zinc/54/04/06/663540406.db2.gz RESXIXSUCMVPQE-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C(N)=O ZINC000946505221 663540413 /nfs/dbraw/zinc/54/04/13/663540413.db2.gz VCBVGFQYAMHZSV-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998490759 663542902 /nfs/dbraw/zinc/54/29/02/663542902.db2.gz RWZPLJCIYMLUDA-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998492091 663543079 /nfs/dbraw/zinc/54/30/79/663543079.db2.gz XHJLQWLWPRSAJR-ZJUUUORDSA-N 1 1 320.361 -1.462 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C(N)=O ZINC000946512059 663543185 /nfs/dbraw/zinc/54/31/85/663543185.db2.gz VNNDMGOSMXAQKE-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000998511485 663543455 /nfs/dbraw/zinc/54/34/55/663543455.db2.gz YKQCSXCURBZWQC-LLVKDONJSA-N 1 1 321.385 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998540246 663543774 /nfs/dbraw/zinc/54/37/74/663543774.db2.gz BKZOAKUVMISGFE-UDNWOFFPSA-N 1 1 307.358 -1.432 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC(NCc2nnn(C)n2)C1 ZINC000998585339 663544709 /nfs/dbraw/zinc/54/47/09/663544709.db2.gz IZWUAAMVFHGTSX-HTAVTVPLSA-N 1 1 323.401 -1.380 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC(NCc2nnn(C)n2)C1 ZINC000998585339 663544710 /nfs/dbraw/zinc/54/47/10/663544710.db2.gz IZWUAAMVFHGTSX-HTAVTVPLSA-N 1 1 323.401 -1.380 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998578468 663544900 /nfs/dbraw/zinc/54/49/00/663544900.db2.gz SSTHBNDZNQPQNT-NSHDSACASA-N 1 1 305.338 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998647766 663545015 /nfs/dbraw/zinc/54/50/15/663545015.db2.gz MTQRCZCREWMGEF-SECBINFHSA-N 1 1 316.387 -1.665 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998673519 663546108 /nfs/dbraw/zinc/54/61/08/663546108.db2.gz IOWWGXTZSOOXPN-MWLCHTKSSA-N 1 1 309.370 -1.663 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998676334 663547614 /nfs/dbraw/zinc/54/76/14/663547614.db2.gz BAIDXLFQTVZJPQ-SDDRHHMPSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998677533 663548255 /nfs/dbraw/zinc/54/82/55/663548255.db2.gz GDYOWFYNYMTAGC-FBIMIBRVSA-N 1 1 309.370 -1.665 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998677537 663548307 /nfs/dbraw/zinc/54/83/07/663548307.db2.gz GDYOWFYNYMTAGC-IEBDPFPHSA-N 1 1 309.370 -1.665 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC000998677924 663548625 /nfs/dbraw/zinc/54/86/25/663548625.db2.gz HSPLETYONPOSHE-LLVKDONJSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998678135 663548696 /nfs/dbraw/zinc/54/86/96/663548696.db2.gz LPHRINSTYJZJAL-MWLCHTKSSA-N 1 1 309.370 -1.663 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998712035 663550700 /nfs/dbraw/zinc/55/07/00/663550700.db2.gz QLFVDFUCHQDWFY-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998770042 663551834 /nfs/dbraw/zinc/55/18/34/663551834.db2.gz NORUYUBFUKUCTC-UHFFFAOYSA-N 1 1 306.334 -2.024 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998742167 663552003 /nfs/dbraw/zinc/55/20/03/663552003.db2.gz QACALPJKPBDTJY-NXEZZACHSA-N 1 1 307.358 -1.431 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998773212 663552092 /nfs/dbraw/zinc/55/20/92/663552092.db2.gz LRWOLRZCRZMRRN-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000998781270 663552377 /nfs/dbraw/zinc/55/23/77/663552377.db2.gz QMJNNRBQZFFSBJ-VIFPVBQESA-N 1 1 307.358 -1.036 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000998780055 663552384 /nfs/dbraw/zinc/55/23/84/663552384.db2.gz INOSOPGYPKZGEO-SNVBAGLBSA-N 1 1 322.369 -1.236 20 0 DAADMO Cn1nnc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000998826028 663552734 /nfs/dbraw/zinc/55/27/34/663552734.db2.gz OSOBPKPHMFAYFU-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000998826028 663552736 /nfs/dbraw/zinc/55/27/36/663552736.db2.gz OSOBPKPHMFAYFU-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)N(C)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998859230 663552796 /nfs/dbraw/zinc/55/27/96/663552796.db2.gz VERNBAXJFQXTTN-KPPDAEKUSA-N 1 1 321.385 -1.233 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000998938282 663553214 /nfs/dbraw/zinc/55/32/14/663553214.db2.gz QOWAQFAPTLJWSY-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000998917868 663553250 /nfs/dbraw/zinc/55/32/50/663553250.db2.gz UITLCUKUDDHJHJ-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1nonc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998903145 663553436 /nfs/dbraw/zinc/55/34/36/663553436.db2.gz SVOMQOUDYFBXLQ-LBPRGKRZSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nonc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998903145 663553439 /nfs/dbraw/zinc/55/34/39/663553439.db2.gz SVOMQOUDYFBXLQ-LBPRGKRZSA-N 1 1 323.353 -1.422 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998953096 663553499 /nfs/dbraw/zinc/55/34/99/663553499.db2.gz AIDPENYPYFXXSM-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC000999008231 663554755 /nfs/dbraw/zinc/55/47/55/663554755.db2.gz HAXZVAFSLQMWKA-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000999019299 663554764 /nfs/dbraw/zinc/55/47/64/663554764.db2.gz CLTVPWWEVQXHBM-VIFPVBQESA-N 1 1 321.341 -1.104 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000999019297 663554810 /nfs/dbraw/zinc/55/48/10/663554810.db2.gz CLTVPWWEVQXHBM-SECBINFHSA-N 1 1 321.341 -1.104 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000999085998 663555237 /nfs/dbraw/zinc/55/52/37/663555237.db2.gz YNLQKJCEOHIANM-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000999085996 663555498 /nfs/dbraw/zinc/55/54/98/663555498.db2.gz YNLQKJCEOHIANM-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999067264 663556041 /nfs/dbraw/zinc/55/60/41/663556041.db2.gz SFQALCLMQJIOMR-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC000999161700 663556313 /nfs/dbraw/zinc/55/63/13/663556313.db2.gz KNLJBPGWUVBPQI-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999159665 663556589 /nfs/dbraw/zinc/55/65/89/663556589.db2.gz BPTCBNNEFDDKIX-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001032660358 663557836 /nfs/dbraw/zinc/55/78/36/663557836.db2.gz CGBOFYSYPZRBRR-VWYCJHECSA-N 1 1 322.365 -1.637 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032681408 663558248 /nfs/dbraw/zinc/55/82/48/663558248.db2.gz WBQWJAPOVUCJBQ-DCAQKATOSA-N 1 1 320.349 -1.787 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032681408 663558250 /nfs/dbraw/zinc/55/82/50/663558250.db2.gz WBQWJAPOVUCJBQ-DCAQKATOSA-N 1 1 320.349 -1.787 20 0 DAADMO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684078 663558443 /nfs/dbraw/zinc/55/84/43/663558443.db2.gz DEMWEELFTAEUJB-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O ZINC001032686805 663558524 /nfs/dbraw/zinc/55/85/24/663558524.db2.gz KCWZCQSNZCJMSK-VWYCJHECSA-N 1 1 310.354 -1.142 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)c1 ZINC001032703750 663558897 /nfs/dbraw/zinc/55/88/97/663558897.db2.gz GPEQFLONKVQIDP-JBLDHEPKSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)c1 ZINC001032703750 663558898 /nfs/dbraw/zinc/55/88/98/663558898.db2.gz GPEQFLONKVQIDP-JBLDHEPKSA-N 1 1 317.349 -1.099 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256523 663558995 /nfs/dbraw/zinc/55/89/95/663558995.db2.gz JXUJDAQWRURZES-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cnnn2)C1=O ZINC001032699393 663559026 /nfs/dbraw/zinc/55/90/26/663559026.db2.gz PNGSBMLEOLVQLY-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cnnn2)C1=O ZINC001032699394 663559138 /nfs/dbraw/zinc/55/91/38/663559138.db2.gz PNGSBMLEOLVQLY-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999251482 663559283 /nfs/dbraw/zinc/55/92/83/663559283.db2.gz WNWXMEFSTMQQNP-UHFFFAOYSA-N 1 1 306.334 -1.874 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999319239 663559674 /nfs/dbraw/zinc/55/96/74/663559674.db2.gz QSOPYWWFFQUSRH-UHFFFAOYSA-N 1 1 318.341 -1.314 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141218 663559841 /nfs/dbraw/zinc/55/98/41/663559841.db2.gz OECWJKMLCOSREA-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141218 663559843 /nfs/dbraw/zinc/55/98/43/663559843.db2.gz OECWJKMLCOSREA-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999321377 663560068 /nfs/dbraw/zinc/56/00/68/663560068.db2.gz AWSXDCPOPQVISS-HACHORDNSA-N 1 1 308.346 -2.030 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000999300018 663560183 /nfs/dbraw/zinc/56/01/83/663560183.db2.gz WSVBROBDZJAODL-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000999416757 663560434 /nfs/dbraw/zinc/56/04/34/663560434.db2.gz UEPOOMHLEXDNMA-SECBINFHSA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000999416760 663561085 /nfs/dbraw/zinc/56/10/85/663561085.db2.gz UEPOOMHLEXDNMA-VIFPVBQESA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000999424973 663562102 /nfs/dbraw/zinc/56/21/02/663562102.db2.gz SCSPDFRRDJUELX-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999659801 663562408 /nfs/dbraw/zinc/56/24/08/663562408.db2.gz IHBMXYZHYGMEHE-UHFFFAOYSA-N 1 1 305.346 -1.350 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000999811960 663565988 /nfs/dbraw/zinc/56/59/88/663565988.db2.gz BYJPIJUZIAFKMU-ZMLRMANQSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999836071 663566612 /nfs/dbraw/zinc/56/66/12/663566612.db2.gz GBLPYTLLULDRBG-SNVBAGLBSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999835403 663566654 /nfs/dbraw/zinc/56/66/54/663566654.db2.gz AYWQQMXCPFINAL-KOLCDFICSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999846906 663566937 /nfs/dbraw/zinc/56/69/37/663566937.db2.gz HJOUKCKLVMDVMM-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999856492 663566990 /nfs/dbraw/zinc/56/69/90/663566990.db2.gz IWJCABMIHZKKPM-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999836169 663567039 /nfs/dbraw/zinc/56/70/39/663567039.db2.gz GRLAKTMMHLFKJV-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999852355 663567129 /nfs/dbraw/zinc/56/71/29/663567129.db2.gz NZTFQDKNRCYXEK-WCQGTBRESA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999849188 663567253 /nfs/dbraw/zinc/56/72/53/663567253.db2.gz QYAVBASDZWWUNE-VIFPVBQESA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC000999889711 663567416 /nfs/dbraw/zinc/56/74/16/663567416.db2.gz JXIDHBORMYXSDA-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC000999889907 663567450 /nfs/dbraw/zinc/56/74/50/663567450.db2.gz KCGPTCZNLKUEEG-VWYCJHECSA-N 1 1 305.338 -1.075 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999887865 663567457 /nfs/dbraw/zinc/56/74/57/663567457.db2.gz TWPQVSRLTXCYCL-KOLCDFICSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000999889598 663567490 /nfs/dbraw/zinc/56/74/90/663567490.db2.gz WPVOSJSPDUMQRX-MWLCHTKSSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000999886968 663567497 /nfs/dbraw/zinc/56/74/97/663567497.db2.gz CQKOLDFPCAJZEC-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000999886962 663567505 /nfs/dbraw/zinc/56/75/05/663567505.db2.gz CQKOLDFPCAJZEC-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000999886927 663567508 /nfs/dbraw/zinc/56/75/08/663567508.db2.gz QOKPKTHXGHXBNW-PWSUYJOCSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000999887118 663567640 /nfs/dbraw/zinc/56/76/40/663567640.db2.gz DUOXYBRYJGFBBI-JSGCOSHPSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000999889593 663567646 /nfs/dbraw/zinc/56/76/46/663567646.db2.gz WPVOSJSPDUMQRX-GXSJLCMTSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)O1 ZINC000999887338 663567733 /nfs/dbraw/zinc/56/77/33/663567733.db2.gz ORKBGHAABJWMQU-LDMBFOFVSA-N 1 1 324.381 -1.561 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)O1 ZINC000999887338 663567735 /nfs/dbraw/zinc/56/77/35/663567735.db2.gz ORKBGHAABJWMQU-LDMBFOFVSA-N 1 1 324.381 -1.561 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000999887117 663567750 /nfs/dbraw/zinc/56/77/50/663567750.db2.gz DUOXYBRYJGFBBI-GXTWGEPZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000999885884 663567814 /nfs/dbraw/zinc/56/78/14/663567814.db2.gz OBBULVHITPBDJB-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885884 663567818 /nfs/dbraw/zinc/56/78/18/663567818.db2.gz OBBULVHITPBDJB-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885884 663567821 /nfs/dbraw/zinc/56/78/21/663567821.db2.gz OBBULVHITPBDJB-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000999873015 663568055 /nfs/dbraw/zinc/56/80/55/663568055.db2.gz VERMZNLPDQDXKE-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000999866011 663568229 /nfs/dbraw/zinc/56/82/29/663568229.db2.gz WJYFOSXDIJUHTP-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999882219 663568839 /nfs/dbraw/zinc/56/88/39/663568839.db2.gz OBKFDVABOGFNMU-MWLCHTKSSA-N 1 1 307.358 -1.802 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999940131 663569378 /nfs/dbraw/zinc/56/93/78/663569378.db2.gz QZHUPNOMIXDSCH-WOPDTQHZSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999940131 663569379 /nfs/dbraw/zinc/56/93/79/663569379.db2.gz QZHUPNOMIXDSCH-WOPDTQHZSA-N 1 1 324.381 -1.845 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999917225 663569643 /nfs/dbraw/zinc/56/96/43/663569643.db2.gz MITUNBNCNJWCAV-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999922748 663570097 /nfs/dbraw/zinc/57/00/97/663570097.db2.gz QAIPYMCBCKKDES-RKDXNWHRSA-N 1 1 320.361 -1.311 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC000999923336 663570333 /nfs/dbraw/zinc/57/03/33/663570333.db2.gz RGKHEDIBHHPSSK-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)n1 ZINC000999922661 663570407 /nfs/dbraw/zinc/57/04/07/663570407.db2.gz PKEQKFJXOYANIX-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC000999956546 663571313 /nfs/dbraw/zinc/57/13/13/663571313.db2.gz PYLAZLWQCMQDBK-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC000999956546 663571315 /nfs/dbraw/zinc/57/13/15/663571315.db2.gz PYLAZLWQCMQDBK-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000999948727 663571429 /nfs/dbraw/zinc/57/14/29/663571429.db2.gz OTMKPYDKOONOIO-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCc1cn([C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941395 663571457 /nfs/dbraw/zinc/57/14/57/663571457.db2.gz ZVUAAQBEPFSVBX-VXGBXAGGSA-N 1 1 320.353 -1.034 20 0 DAADMO CC(=O)NCc1cn([C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941395 663571461 /nfs/dbraw/zinc/57/14/61/663571461.db2.gz ZVUAAQBEPFSVBX-VXGBXAGGSA-N 1 1 320.353 -1.034 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC000999958664 663571535 /nfs/dbraw/zinc/57/15/35/663571535.db2.gz CGZHRSHBWGKWJC-VXGBXAGGSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC000999958664 663571538 /nfs/dbraw/zinc/57/15/38/663571538.db2.gz CGZHRSHBWGKWJC-VXGBXAGGSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC000999957698 663571555 /nfs/dbraw/zinc/57/15/55/663571555.db2.gz WZNZPNBNICAWMH-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC000999957698 663571556 /nfs/dbraw/zinc/57/15/56/663571556.db2.gz WZNZPNBNICAWMH-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000999948728 663571592 /nfs/dbraw/zinc/57/15/92/663571592.db2.gz OTMKPYDKOONOIO-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC000999958658 663571757 /nfs/dbraw/zinc/57/17/57/663571757.db2.gz CGZHRSHBWGKWJC-NEPJUHHUSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC000999958658 663571766 /nfs/dbraw/zinc/57/17/66/663571766.db2.gz CGZHRSHBWGKWJC-NEPJUHHUSA-N 1 1 322.369 -1.195 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CCNC1=O ZINC001000012906 663572491 /nfs/dbraw/zinc/57/24/91/663572491.db2.gz FSNWUTWFQLOSFT-NWDGAFQWSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CNC(=O)N1 ZINC001000018602 663572788 /nfs/dbraw/zinc/57/27/88/663572788.db2.gz YONHMQSJXIGUNX-GHMZBOCLSA-N 1 1 323.357 -2.185 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1cn[nH]n1 ZINC001000002547 663573565 /nfs/dbraw/zinc/57/35/65/663573565.db2.gz KCQHLLVSFLIADF-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)c1cnn[nH]1 ZINC001000002547 663573570 /nfs/dbraw/zinc/57/35/70/663573570.db2.gz KCQHLLVSFLIADF-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1cnn[nH]1 ZINC001000002547 663573574 /nfs/dbraw/zinc/57/35/74/663573574.db2.gz KCQHLLVSFLIADF-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001000025604 663574184 /nfs/dbraw/zinc/57/41/84/663574184.db2.gz KPRYYAGVJKCWII-VIFPVBQESA-N 1 1 318.341 -1.312 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001000019748 663574232 /nfs/dbraw/zinc/57/42/32/663574232.db2.gz WDJPDLBIKBBPKH-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001000019748 663574234 /nfs/dbraw/zinc/57/42/34/663574234.db2.gz WDJPDLBIKBBPKH-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000041675 663574533 /nfs/dbraw/zinc/57/45/33/663574533.db2.gz BKIMVBFECYXNSW-ZJUUUORDSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1nnc[nH]1 ZINC001000028357 663574579 /nfs/dbraw/zinc/57/45/79/663574579.db2.gz HSMRIZWUTCYBNM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)c1ncn[nH]1 ZINC001000028357 663574580 /nfs/dbraw/zinc/57/45/80/663574580.db2.gz HSMRIZWUTCYBNM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1ncn[nH]1 ZINC001000028357 663574582 /nfs/dbraw/zinc/57/45/82/663574582.db2.gz HSMRIZWUTCYBNM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)c1nc[nH]n1 ZINC001000028357 663574584 /nfs/dbraw/zinc/57/45/84/663574584.db2.gz HSMRIZWUTCYBNM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1nc[nH]n1 ZINC001000028357 663574586 /nfs/dbraw/zinc/57/45/86/663574586.db2.gz HSMRIZWUTCYBNM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000114555 663575907 /nfs/dbraw/zinc/57/59/07/663575907.db2.gz DGDSXMZZFQFHIM-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O ZINC001032729311 663576340 /nfs/dbraw/zinc/57/63/40/663576340.db2.gz YLOVKXRQHCIKRI-VWYCJHECSA-N 1 1 310.354 -1.454 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000124167 663576444 /nfs/dbraw/zinc/57/64/44/663576444.db2.gz QLLASRJTVGMKBT-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000124167 663576448 /nfs/dbraw/zinc/57/64/48/663576448.db2.gz QLLASRJTVGMKBT-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)O1 ZINC001000120223 663577005 /nfs/dbraw/zinc/57/70/05/663577005.db2.gz HFZLBGCTYVCKKY-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)O1 ZINC001000120223 663577014 /nfs/dbraw/zinc/57/70/14/663577014.db2.gz HFZLBGCTYVCKKY-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032760659 663583359 /nfs/dbraw/zinc/58/33/59/663583359.db2.gz NJXPWCGAQFVVIV-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)C1=O ZINC001032769368 663583731 /nfs/dbraw/zinc/58/37/31/663583731.db2.gz GZTJYMNYLQUKCW-SRVKXCTJSA-N 1 1 304.354 -1.206 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)C1=O ZINC001032769368 663583735 /nfs/dbraw/zinc/58/37/35/663583735.db2.gz GZTJYMNYLQUKCW-SRVKXCTJSA-N 1 1 304.354 -1.206 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001032771217 663583994 /nfs/dbraw/zinc/58/39/94/663583994.db2.gz PXPLRPVEBJXOFZ-DCAQKATOSA-N 1 1 310.354 -1.142 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O ZINC001032771585 663584017 /nfs/dbraw/zinc/58/40/17/663584017.db2.gz VKGOBWIWOZTHQD-VWYCJHECSA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032770742 663584305 /nfs/dbraw/zinc/58/43/05/663584305.db2.gz CYOUPSIBLNXPRK-LPEHRKFASA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032770742 663584308 /nfs/dbraw/zinc/58/43/08/663584308.db2.gz CYOUPSIBLNXPRK-LPEHRKFASA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032773560 663584342 /nfs/dbraw/zinc/58/43/42/663584342.db2.gz CTYTVPQKYIZTFU-GARJFASQSA-N 1 1 320.349 -1.691 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032773560 663584345 /nfs/dbraw/zinc/58/43/45/663584345.db2.gz CTYTVPQKYIZTFU-GARJFASQSA-N 1 1 320.349 -1.691 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c(=O)[nH]c1=O ZINC001032780202 663584654 /nfs/dbraw/zinc/58/46/54/663584654.db2.gz XNJYZHBHYNCMNA-UWVGGRQHSA-N 1 1 308.338 -1.233 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001016204023 663586316 /nfs/dbraw/zinc/58/63/16/663586316.db2.gz XSUGKNZJRFQFPE-LLVKDONJSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001016204023 663586318 /nfs/dbraw/zinc/58/63/18/663586318.db2.gz XSUGKNZJRFQFPE-LLVKDONJSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001000465830 663586530 /nfs/dbraw/zinc/58/65/30/663586530.db2.gz VEOWNHDVVMSPKF-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000546318 663589119 /nfs/dbraw/zinc/58/91/19/663589119.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000546318 663589120 /nfs/dbraw/zinc/58/91/20/663589120.db2.gz HASBGZVVNCSEKS-AAEUAGOBSA-N 1 1 310.398 -1.061 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)C1 ZINC001032793310 663589185 /nfs/dbraw/zinc/58/91/85/663589185.db2.gz ZQVOZOSKSXALEC-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)C1 ZINC001032793310 663589189 /nfs/dbraw/zinc/58/91/89/663589189.db2.gz ZQVOZOSKSXALEC-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000571805 663589693 /nfs/dbraw/zinc/58/96/93/663589693.db2.gz BLESDZGRTADHSO-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000571805 663589704 /nfs/dbraw/zinc/58/97/04/663589704.db2.gz BLESDZGRTADHSO-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001000594521 663589788 /nfs/dbraw/zinc/58/97/88/663589788.db2.gz QWVKWCHLAWRVRV-ZIAGYGMSSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001000594521 663589789 /nfs/dbraw/zinc/58/97/89/663589789.db2.gz QWVKWCHLAWRVRV-ZIAGYGMSSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000595011 663589901 /nfs/dbraw/zinc/58/99/01/663589901.db2.gz YVWGSAYEUHWZNE-YPMHNXCESA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000595011 663589907 /nfs/dbraw/zinc/58/99/07/663589907.db2.gz YVWGSAYEUHWZNE-YPMHNXCESA-N 1 1 310.398 -1.061 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000643044 663590845 /nfs/dbraw/zinc/59/08/45/663590845.db2.gz KQIYJOUJCMBTIA-GXSJLCMTSA-N 1 1 310.354 -1.022 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000643044 663590847 /nfs/dbraw/zinc/59/08/47/663590847.db2.gz KQIYJOUJCMBTIA-GXSJLCMTSA-N 1 1 310.354 -1.022 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000656779 663590990 /nfs/dbraw/zinc/59/09/90/663590990.db2.gz KBONAMXAJGGGJI-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000643130 663591154 /nfs/dbraw/zinc/59/11/54/663591154.db2.gz GHPWZGOHTXLZMY-SECBINFHSA-N 1 1 305.346 -1.349 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001001008637 663593049 /nfs/dbraw/zinc/59/30/49/663593049.db2.gz ZLYWNEJUTRXLEL-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001001008637 663593053 /nfs/dbraw/zinc/59/30/53/663593053.db2.gz ZLYWNEJUTRXLEL-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001001019100 663593347 /nfs/dbraw/zinc/59/33/47/663593347.db2.gz YHUXBSSUUCSVSM-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001042024 663593780 /nfs/dbraw/zinc/59/37/80/663593780.db2.gz XPPPCMRAWRWCSV-GFCCVEGCSA-N 1 1 323.397 -1.154 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001042024 663593781 /nfs/dbraw/zinc/59/37/81/663593781.db2.gz XPPPCMRAWRWCSV-GFCCVEGCSA-N 1 1 323.397 -1.154 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+](CCn3cncn3)CC2)n1 ZINC001001056143 663594162 /nfs/dbraw/zinc/59/41/62/663594162.db2.gz MUKYNQRFOJDXGN-UHFFFAOYSA-N 1 1 317.357 -1.136 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001039267 663594239 /nfs/dbraw/zinc/59/42/39/663594239.db2.gz JSFDTUFNLSEPGV-KOLCDFICSA-N 1 1 309.370 -1.368 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001039267 663594243 /nfs/dbraw/zinc/59/42/43/663594243.db2.gz JSFDTUFNLSEPGV-KOLCDFICSA-N 1 1 309.370 -1.368 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001039274 663594297 /nfs/dbraw/zinc/59/42/97/663594297.db2.gz JSFDTUFNLSEPGV-ONGXEEELSA-N 1 1 309.370 -1.368 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001039274 663594301 /nfs/dbraw/zinc/59/43/01/663594301.db2.gz JSFDTUFNLSEPGV-ONGXEEELSA-N 1 1 309.370 -1.368 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC001001056862 663594356 /nfs/dbraw/zinc/59/43/56/663594356.db2.gz WODCCBLWEQFURT-NSHDSACASA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)n1 ZINC001001058134 663594381 /nfs/dbraw/zinc/59/43/81/663594381.db2.gz XUBIHTJOBPILAN-JTQLQIEISA-N 1 1 305.342 -1.540 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC001001058134 663594383 /nfs/dbraw/zinc/59/43/83/663594383.db2.gz XUBIHTJOBPILAN-JTQLQIEISA-N 1 1 305.342 -1.540 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC2=CC[N@@H+](CCO)CC2)c1=O ZINC001001038409 663594498 /nfs/dbraw/zinc/59/44/98/663594498.db2.gz ZJRMUUBSJRRXSA-UHFFFAOYSA-N 1 1 308.338 -1.160 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCn2cncn2)CC1)[C@H]1CNC(=O)N1 ZINC001001107149 663594695 /nfs/dbraw/zinc/59/46/95/663594695.db2.gz UMDBEOMZGRUKPX-GFCCVEGCSA-N 1 1 319.369 -1.292 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC001001107996 663594819 /nfs/dbraw/zinc/59/48/19/663594819.db2.gz XTZPKSFHZUODAY-VXGBXAGGSA-N 1 1 321.381 -1.353 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001104704 663595069 /nfs/dbraw/zinc/59/50/69/663595069.db2.gz IKFQGZTWHNJHIG-GHMZBOCLSA-N 1 1 309.370 -1.320 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802838 663595106 /nfs/dbraw/zinc/59/51/06/663595106.db2.gz PLRIPNQMVKXYKB-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802838 663595108 /nfs/dbraw/zinc/59/51/08/663595108.db2.gz PLRIPNQMVKXYKB-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001001109862 663595839 /nfs/dbraw/zinc/59/58/39/663595839.db2.gz AVZLBVWKHXVMLQ-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001001109862 663595851 /nfs/dbraw/zinc/59/58/51/663595851.db2.gz AVZLBVWKHXVMLQ-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114370 663595928 /nfs/dbraw/zinc/59/59/28/663595928.db2.gz IJPINUYNDLOLFP-NWDGAFQWSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114577 663596291 /nfs/dbraw/zinc/59/62/91/663596291.db2.gz JGERCQKCHHHKHU-GHMZBOCLSA-N 1 1 307.354 -1.695 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114577 663596292 /nfs/dbraw/zinc/59/62/92/663596292.db2.gz JGERCQKCHHHKHU-GHMZBOCLSA-N 1 1 307.354 -1.695 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001158705 663596840 /nfs/dbraw/zinc/59/68/40/663596840.db2.gz GFOMJAIDQNRELU-NEPJUHHUSA-N 1 1 308.382 -1.056 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001158705 663596841 /nfs/dbraw/zinc/59/68/41/663596841.db2.gz GFOMJAIDQNRELU-NEPJUHHUSA-N 1 1 308.382 -1.056 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001001160387 663596844 /nfs/dbraw/zinc/59/68/44/663596844.db2.gz OENONSZHYNBTCQ-WOPDTQHZSA-N 1 1 306.366 -1.255 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001001160387 663596845 /nfs/dbraw/zinc/59/68/45/663596845.db2.gz OENONSZHYNBTCQ-WOPDTQHZSA-N 1 1 306.366 -1.255 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2nccn2)C1 ZINC001001224691 663597398 /nfs/dbraw/zinc/59/73/98/663597398.db2.gz ZDXIVOIJFOHQDV-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001001203198 663597655 /nfs/dbraw/zinc/59/76/55/663597655.db2.gz HKDOKGQKKFHSQU-NSHDSACASA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001001205590 663597965 /nfs/dbraw/zinc/59/79/65/663597965.db2.gz ARNALCHHSWNSPD-LLVKDONJSA-N 1 1 322.369 -1.348 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001001207287 663598098 /nfs/dbraw/zinc/59/80/98/663598098.db2.gz MGVSJXFGIPDPSI-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cncn2)C1 ZINC001001224780 663598357 /nfs/dbraw/zinc/59/83/57/663598357.db2.gz CUJKMMQZUSPIOZ-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297039 663598750 /nfs/dbraw/zinc/59/87/50/663598750.db2.gz PZHMFJOWZIVCCO-CHWSQXEVSA-N 1 1 313.398 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297039 663598753 /nfs/dbraw/zinc/59/87/53/663598753.db2.gz PZHMFJOWZIVCCO-CHWSQXEVSA-N 1 1 313.398 -1.092 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCO)CC1)C1CC2(C1)NC(=O)NC2=O ZINC001001255021 663598821 /nfs/dbraw/zinc/59/88/21/663598821.db2.gz VCLKDANRPWTQFD-UHFFFAOYSA-N 1 1 322.365 -1.285 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001001211951 663598835 /nfs/dbraw/zinc/59/88/35/663598835.db2.gz BVQPOQJBPYIMNQ-NSHDSACASA-N 1 1 310.354 -1.285 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001296938 663598918 /nfs/dbraw/zinc/59/89/18/663598918.db2.gz OVPURXQGROCVSI-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001296938 663598921 /nfs/dbraw/zinc/59/89/21/663598921.db2.gz OVPURXQGROCVSI-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC001001294537 663599205 /nfs/dbraw/zinc/59/92/05/663599205.db2.gz BUWWSLUVMIXEAN-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC001001294537 663599208 /nfs/dbraw/zinc/59/92/08/663599208.db2.gz BUWWSLUVMIXEAN-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001001295397 663599347 /nfs/dbraw/zinc/59/93/47/663599347.db2.gz FHSDQFCJASJACQ-RQJABVFESA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001001295397 663599352 /nfs/dbraw/zinc/59/93/52/663599352.db2.gz FHSDQFCJASJACQ-RQJABVFESA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001295063 663599382 /nfs/dbraw/zinc/59/93/82/663599382.db2.gz DQCHROGTKXTEIK-VXGBXAGGSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001295063 663599383 /nfs/dbraw/zinc/59/93/83/663599383.db2.gz DQCHROGTKXTEIK-VXGBXAGGSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001001295908 663599906 /nfs/dbraw/zinc/59/99/06/663599906.db2.gz JLEHGJLTWXUESK-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001001295908 663599912 /nfs/dbraw/zinc/59/99/12/663599912.db2.gz JLEHGJLTWXUESK-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001294494 663600029 /nfs/dbraw/zinc/60/00/29/663600029.db2.gz AFSOUTCLVPIXEJ-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001294494 663600037 /nfs/dbraw/zinc/60/00/37/663600037.db2.gz AFSOUTCLVPIXEJ-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnccn3)C2)C1 ZINC001001304070 663600656 /nfs/dbraw/zinc/60/06/56/663600656.db2.gz YVZQDYBFNHIKRW-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnccn3)C2)C1 ZINC001001304070 663600660 /nfs/dbraw/zinc/60/06/60/663600660.db2.gz YVZQDYBFNHIKRW-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001312090 663600713 /nfs/dbraw/zinc/60/07/13/663600713.db2.gz RJUBDFJMMDYEJQ-KGLIPLIRSA-N 1 1 324.425 -1.157 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001001303555 663601055 /nfs/dbraw/zinc/60/10/55/663601055.db2.gz VASDEACYCGSSGO-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001001303555 663601059 /nfs/dbraw/zinc/60/10/59/663601059.db2.gz VASDEACYCGSSGO-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001312085 663601066 /nfs/dbraw/zinc/60/10/66/663601066.db2.gz RJUBDFJMMDYEJQ-KBPBESRZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001001306570 663601080 /nfs/dbraw/zinc/60/10/80/663601080.db2.gz DUVXEFLKBKBOBL-ZENOOKHLSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001001306570 663601081 /nfs/dbraw/zinc/60/10/81/663601081.db2.gz DUVXEFLKBKBOBL-ZENOOKHLSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001001306569 663601100 /nfs/dbraw/zinc/60/11/00/663601100.db2.gz DUVXEFLKBKBOBL-XEZPLFJOSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001001306569 663601101 /nfs/dbraw/zinc/60/11/01/663601101.db2.gz DUVXEFLKBKBOBL-XEZPLFJOSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ccnnc3)C2)C1 ZINC001001313137 663601165 /nfs/dbraw/zinc/60/11/65/663601165.db2.gz VNJIWPPRTFXHDJ-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ccnnc3)C2)C1 ZINC001001313137 663601169 /nfs/dbraw/zinc/60/11/69/663601169.db2.gz VNJIWPPRTFXHDJ-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CCO)CC2)c(=O)[nH]c1=O ZINC001001438290 663601328 /nfs/dbraw/zinc/60/13/28/663601328.db2.gz GGSSLMFDJGPBDI-UHFFFAOYSA-N 1 1 308.338 -1.160 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001001455364 663601743 /nfs/dbraw/zinc/60/17/43/663601743.db2.gz BKERHDDXHDEALI-NSHDSACASA-N 1 1 303.384 -1.581 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2=CC[N@@H+](CCO)CC2)nn1 ZINC001001471891 663602110 /nfs/dbraw/zinc/60/21/10/663602110.db2.gz NFGKNOPXBNERKG-UHFFFAOYSA-N 1 1 308.342 -1.882 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)nn1 ZINC001001471628 663602358 /nfs/dbraw/zinc/60/23/58/663602358.db2.gz LBFFXDCZTXFNPA-UHFFFAOYSA-N 1 1 321.341 -2.389 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)nn1 ZINC001001471628 663602362 /nfs/dbraw/zinc/60/23/62/663602362.db2.gz LBFFXDCZTXFNPA-UHFFFAOYSA-N 1 1 321.341 -2.389 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001001494688 663602445 /nfs/dbraw/zinc/60/24/45/663602445.db2.gz WNTWEIJXTYLOTE-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001001494691 663602501 /nfs/dbraw/zinc/60/25/01/663602501.db2.gz WNTWEIJXTYLOTE-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001001442266 663602576 /nfs/dbraw/zinc/60/25/76/663602576.db2.gz HEOBORIKZOCWSG-UHFFFAOYSA-N 1 1 321.337 -1.667 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001001442266 663602577 /nfs/dbraw/zinc/60/25/77/663602577.db2.gz HEOBORIKZOCWSG-UHFFFAOYSA-N 1 1 321.337 -1.667 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001504211 663602911 /nfs/dbraw/zinc/60/29/11/663602911.db2.gz JUZRSNQSTPOUKK-KBPBESRZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001477250 663603003 /nfs/dbraw/zinc/60/30/03/663603003.db2.gz RDNDWGFLVZELFF-JTQLQIEISA-N 1 1 321.381 -1.041 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001477250 663603005 /nfs/dbraw/zinc/60/30/05/663603005.db2.gz RDNDWGFLVZELFF-JTQLQIEISA-N 1 1 321.381 -1.041 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001656137 663604027 /nfs/dbraw/zinc/60/40/27/663604027.db2.gz ITISQLFDGWPSCO-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001656137 663604028 /nfs/dbraw/zinc/60/40/28/663604028.db2.gz ITISQLFDGWPSCO-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001001687812 663604355 /nfs/dbraw/zinc/60/43/55/663604355.db2.gz QUFDNGRAFIJJNF-LLVKDONJSA-N 1 1 321.337 -1.125 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001001688507 663605589 /nfs/dbraw/zinc/60/55/89/663605589.db2.gz VKOVODNSNFZPMG-LLVKDONJSA-N 1 1 321.337 -1.125 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001716190 663606033 /nfs/dbraw/zinc/60/60/33/663606033.db2.gz JSHQKXUARSFTHC-NSHDSACASA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001716190 663606038 /nfs/dbraw/zinc/60/60/38/663606038.db2.gz JSHQKXUARSFTHC-NSHDSACASA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001001774706 663608800 /nfs/dbraw/zinc/60/88/00/663608800.db2.gz ANMZQGFAWOPHSW-NSHDSACASA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001001774706 663608801 /nfs/dbraw/zinc/60/88/01/663608801.db2.gz ANMZQGFAWOPHSW-NSHDSACASA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001001818750 663610868 /nfs/dbraw/zinc/61/08/68/663610868.db2.gz RVMVYYQYXJSIQR-CHWFTXMASA-N 1 1 310.354 -1.950 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001001818750 663610869 /nfs/dbraw/zinc/61/08/69/663610869.db2.gz RVMVYYQYXJSIQR-CHWFTXMASA-N 1 1 310.354 -1.950 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O)N1CCOCC1 ZINC001032821178 663610928 /nfs/dbraw/zinc/61/09/28/663610928.db2.gz RQEDWJOEFZGPFB-XDQVBPFNSA-N 1 1 322.409 -1.119 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O)N1CCOCC1 ZINC001032821178 663610929 /nfs/dbraw/zinc/61/09/29/663610929.db2.gz RQEDWJOEFZGPFB-XDQVBPFNSA-N 1 1 322.409 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001001977224 663611555 /nfs/dbraw/zinc/61/15/55/663611555.db2.gz LWFOOCNRRSCENV-NSHDSACASA-N 1 1 322.369 -1.490 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001976577 663611617 /nfs/dbraw/zinc/61/16/17/663611617.db2.gz IDQQEHWDHIAPHF-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001975907 663611874 /nfs/dbraw/zinc/61/18/74/663611874.db2.gz GXHXEXWFJJTVTJ-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001002003357 663612491 /nfs/dbraw/zinc/61/24/91/663612491.db2.gz YESNBUHTAYZILA-SNVBAGLBSA-N 1 1 307.358 -1.650 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC001002232188 663613303 /nfs/dbraw/zinc/61/33/03/663613303.db2.gz VRENBPBMNGJDQL-ZYHUDNBSSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)C(F)F)CC1)N1CCNC(=O)C1 ZINC001002206102 663613532 /nfs/dbraw/zinc/61/35/32/663613532.db2.gz FVTONKZSESCMTF-UHFFFAOYSA-N 1 1 318.324 -1.210 20 0 DAADMO O=C(Cn1cnnn1)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001002297739 663613603 /nfs/dbraw/zinc/61/36/03/663613603.db2.gz NDGKMLVNCLFFNI-UHFFFAOYSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001002304512 663614334 /nfs/dbraw/zinc/61/43/34/663614334.db2.gz XSLJXRNVZRUFBN-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002455870 663614579 /nfs/dbraw/zinc/61/45/79/663614579.db2.gz IBHKBGSKODAIAE-QWHCGFSZSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002411207 663614861 /nfs/dbraw/zinc/61/48/61/663614861.db2.gz ZIKSLPSUMVRMGY-GHMZBOCLSA-N 1 1 310.354 -2.091 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308247 663615306 /nfs/dbraw/zinc/61/53/06/663615306.db2.gz YYNCKMUJMLQUAQ-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308247 663615310 /nfs/dbraw/zinc/61/53/10/663615310.db2.gz YYNCKMUJMLQUAQ-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCNC(=O)C1 ZINC001002556848 663616491 /nfs/dbraw/zinc/61/64/91/663616491.db2.gz NPFMHUMBKMAKPL-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CN1CCOCC1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002624698 663617044 /nfs/dbraw/zinc/61/70/44/663617044.db2.gz CFNJLXHNQMMUPL-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CN=NC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002649642 663617145 /nfs/dbraw/zinc/61/71/45/663617145.db2.gz VKANZSIUQKQMTE-SNVBAGLBSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CCOCC1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002624700 663617330 /nfs/dbraw/zinc/61/73/30/663617330.db2.gz CFNJLXHNQMMUPL-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827010 663617623 /nfs/dbraw/zinc/61/76/23/663617623.db2.gz JYXIELSVXMXLMO-CIUDSAMLSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827010 663617624 /nfs/dbraw/zinc/61/76/24/663617624.db2.gz JYXIELSVXMXLMO-CIUDSAMLSA-N 1 1 311.342 -2.091 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002645805 663617942 /nfs/dbraw/zinc/61/79/42/663617942.db2.gz ZBMNXNLCIOIOAP-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000358077421 663619012 /nfs/dbraw/zinc/61/90/12/663619012.db2.gz XEVPZUJKZLKPKN-IINYFYTJSA-N 1 1 307.354 -1.055 20 0 DAADMO CN(C(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1)C1CC1 ZINC001002825268 663619021 /nfs/dbraw/zinc/61/90/21/663619021.db2.gz XONKNRNYAMQJCX-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341911 663619669 /nfs/dbraw/zinc/61/96/69/663619669.db2.gz VQVDZMZEBHZTDJ-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831533 663620205 /nfs/dbraw/zinc/62/02/05/663620205.db2.gz WKYVHAMNSFJHBF-DCAQKATOSA-N 1 1 310.354 -1.189 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cccn3nnnc23)CC1 ZINC001002911071 663620956 /nfs/dbraw/zinc/62/09/56/663620956.db2.gz IXOHHCZACBTKOI-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)c1=O ZINC001002955391 663621534 /nfs/dbraw/zinc/62/15/34/663621534.db2.gz MLCNDQBTXXLNRI-UHFFFAOYSA-N 1 1 323.353 -2.387 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352608 663621579 /nfs/dbraw/zinc/62/15/79/663621579.db2.gz CKKQNNYTQFEXJI-UWVGGRQHSA-N 1 1 309.370 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352608 663621581 /nfs/dbraw/zinc/62/15/81/663621581.db2.gz CKKQNNYTQFEXJI-UWVGGRQHSA-N 1 1 309.370 -1.338 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)n(C)c1=O ZINC001016352428 663621641 /nfs/dbraw/zinc/62/16/41/663621641.db2.gz ALMHIAOMZNDABM-LLVKDONJSA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n(C)c1=O ZINC001016352428 663621644 /nfs/dbraw/zinc/62/16/44/663621644.db2.gz ALMHIAOMZNDABM-LLVKDONJSA-N 1 1 321.381 -1.240 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032832928 663622018 /nfs/dbraw/zinc/62/20/18/663622018.db2.gz GMMYCCPDWKGNPH-GUBZILKMSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032832928 663622019 /nfs/dbraw/zinc/62/20/19/663622019.db2.gz GMMYCCPDWKGNPH-GUBZILKMSA-N 1 1 308.338 -1.739 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+](C)CCOCCO)S1(=O)=O ZINC000922113000 663622066 /nfs/dbraw/zinc/62/20/66/663622066.db2.gz HPLSSRZBEPCZHA-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355200 663622193 /nfs/dbraw/zinc/62/21/93/663622193.db2.gz UMNLQKNFTMKZJV-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355200 663622198 /nfs/dbraw/zinc/62/21/98/663622198.db2.gz UMNLQKNFTMKZJV-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355202 663622440 /nfs/dbraw/zinc/62/24/40/663622440.db2.gz UMNLQKNFTMKZJV-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355202 663622444 /nfs/dbraw/zinc/62/24/44/663622444.db2.gz UMNLQKNFTMKZJV-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+](C)CCOCCO ZINC000922110127 663622492 /nfs/dbraw/zinc/62/24/92/663622492.db2.gz WYXJZQKLVPLXDP-TZMCWYRMSA-N 1 1 303.403 -1.502 20 0 DAADMO CN1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922110127 663622494 /nfs/dbraw/zinc/62/24/94/663622494.db2.gz WYXJZQKLVPLXDP-TZMCWYRMSA-N 1 1 303.403 -1.502 20 0 DAADMO Cn1cncc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001002993684 663622500 /nfs/dbraw/zinc/62/25/00/663622500.db2.gz RQQREYOFWVDXPT-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cncc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001002993684 663622502 /nfs/dbraw/zinc/62/25/02/663622502.db2.gz RQQREYOFWVDXPT-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)NC1)CCOCCO ZINC000922115517 663622554 /nfs/dbraw/zinc/62/25/54/663622554.db2.gz FIGXNPQVPVCGIZ-CQSZACIVSA-N 1 1 301.387 -1.040 20 0 DAADMO C[N@@H+](CCNC(=O)C1(N2CCOCC2)CC1)CCOCCO ZINC000922110244 663622579 /nfs/dbraw/zinc/62/25/79/663622579.db2.gz NBKJQDKRJQQQBX-UHFFFAOYSA-N 1 1 315.414 -1.092 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)CCOCCO)CC1=O ZINC000922116366 663622611 /nfs/dbraw/zinc/62/26/11/663622611.db2.gz FGEVDYZIZGWAGL-UHFFFAOYSA-N 1 1 316.402 -2.183 20 0 DAADMO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+](C)CCOCCO ZINC000922110124 663622626 /nfs/dbraw/zinc/62/26/26/663622626.db2.gz WYXJZQKLVPLXDP-JSGCOSHPSA-N 1 1 303.403 -1.502 20 0 DAADMO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922110124 663622630 /nfs/dbraw/zinc/62/26/30/663622630.db2.gz WYXJZQKLVPLXDP-JSGCOSHPSA-N 1 1 303.403 -1.502 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003003298 663622807 /nfs/dbraw/zinc/62/28/07/663622807.db2.gz XWSHTUIKLBDBND-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)CCOCCO ZINC000922123309 663622855 /nfs/dbraw/zinc/62/28/55/663622855.db2.gz SFNXYPAJTBWWHA-UHFFFAOYSA-N 1 1 323.415 -1.921 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+](C)CCOCCO)CC1=O ZINC000922123988 663622953 /nfs/dbraw/zinc/62/29/53/663622953.db2.gz NLUVZHVIMNIAFR-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001003227765 663626376 /nfs/dbraw/zinc/62/63/76/663626376.db2.gz VJTXTOGBQQSBAC-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001003227765 663626380 /nfs/dbraw/zinc/62/63/80/663626380.db2.gz VJTXTOGBQQSBAC-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837055 663627024 /nfs/dbraw/zinc/62/70/24/663627024.db2.gz JYXIELSVXMXLMO-HLTSFMKQSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837055 663627025 /nfs/dbraw/zinc/62/70/25/663627025.db2.gz JYXIELSVXMXLMO-HLTSFMKQSA-N 1 1 311.342 -2.091 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001032837600 663627627 /nfs/dbraw/zinc/62/76/27/663627627.db2.gz HCUQNYUWTUIYHO-FOGDFJRCSA-N 1 1 307.354 -1.063 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032840500 663628120 /nfs/dbraw/zinc/62/81/20/663628120.db2.gz IBHHXUUZEMMFGQ-FTGAXOIBSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032840500 663628124 /nfs/dbraw/zinc/62/81/24/663628124.db2.gz IBHHXUUZEMMFGQ-FTGAXOIBSA-N 1 1 322.365 -1.349 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841916 663628801 /nfs/dbraw/zinc/62/88/01/663628801.db2.gz WYNFTLFUISRUFG-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841916 663628804 /nfs/dbraw/zinc/62/88/04/663628804.db2.gz WYNFTLFUISRUFG-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841911 663628834 /nfs/dbraw/zinc/62/88/34/663628834.db2.gz VOGHMLMIFCTCCB-YIZRAAEISA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841911 663628837 /nfs/dbraw/zinc/62/88/37/663628837.db2.gz VOGHMLMIFCTCCB-YIZRAAEISA-N 1 1 311.342 -2.091 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001003454464 663629421 /nfs/dbraw/zinc/62/94/21/663629421.db2.gz PEBSBCQSSHVKNH-QMJNDHNRSA-N 1 1 322.365 -2.091 20 0 DAADMO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3nnn(C)n3)CC2)C1=O ZINC001003452076 663629435 /nfs/dbraw/zinc/62/94/35/663629435.db2.gz CZTARKHOHCHGFR-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003474863 663629925 /nfs/dbraw/zinc/62/99/25/663629925.db2.gz IUVLEIDCVCTZCF-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003474863 663629926 /nfs/dbraw/zinc/62/99/26/663629926.db2.gz IUVLEIDCVCTZCF-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001032843380 663630394 /nfs/dbraw/zinc/63/03/94/663630394.db2.gz NKNBWZFUBSLBBV-AGIUHOORSA-N 1 1 321.381 -1.287 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001003532923 663630811 /nfs/dbraw/zinc/63/08/11/663630811.db2.gz HGPMSNSDJKUSGQ-LLVKDONJSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCCC1 ZINC001003532906 663630948 /nfs/dbraw/zinc/63/09/48/663630948.db2.gz GOCPOKXIQOMCKX-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCCC1 ZINC001003532907 663631146 /nfs/dbraw/zinc/63/11/46/663631146.db2.gz GOCPOKXIQOMCKX-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001003562932 663632392 /nfs/dbraw/zinc/63/23/92/663632392.db2.gz IKXBFPYUXXBOLZ-GFCCVEGCSA-N 1 1 319.365 -1.098 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003712149 663637483 /nfs/dbraw/zinc/63/74/83/663637483.db2.gz NKUJZYNHRIQSHR-JTQLQIEISA-N 1 1 307.358 -1.650 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3nnn(C)n3)C2)C1 ZINC001003712205 663637550 /nfs/dbraw/zinc/63/75/50/663637550.db2.gz OEQRHCDDAWGBFB-JTQLQIEISA-N 1 1 321.385 -1.260 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001003707195 663637597 /nfs/dbraw/zinc/63/75/97/663637597.db2.gz ATCVSEQQJNWMQB-VIFPVBQESA-N 1 1 311.342 -2.089 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032844311 663637991 /nfs/dbraw/zinc/63/79/91/663637991.db2.gz KUFYBVKJCCIIAF-MXWKQRLJSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032844311 663637995 /nfs/dbraw/zinc/63/79/95/663637995.db2.gz KUFYBVKJCCIIAF-MXWKQRLJSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1CC[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)S1(=O)=O ZINC001003774220 663639003 /nfs/dbraw/zinc/63/90/03/663639003.db2.gz BAOFCDRUIWJXEP-SNVBAGLBSA-N 1 1 318.399 -1.914 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)C1CC(=O)NC(=O)C1 ZINC001003787620 663639410 /nfs/dbraw/zinc/63/94/10/663639410.db2.gz KIWFGIMDFVXJCW-NSHDSACASA-N 1 1 322.365 -1.492 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003811890 663639480 /nfs/dbraw/zinc/63/94/80/663639480.db2.gz LZTVASSGACHQBP-GFCCVEGCSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003811890 663639481 /nfs/dbraw/zinc/63/94/81/663639481.db2.gz LZTVASSGACHQBP-GFCCVEGCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ncccn3)C2)C1 ZINC001003820190 663639888 /nfs/dbraw/zinc/63/98/88/663639888.db2.gz VSVKYXCEXNZOML-GFCCVEGCSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ncccn3)C2)C1 ZINC001003820190 663639889 /nfs/dbraw/zinc/63/98/89/663639889.db2.gz VSVKYXCEXNZOML-GFCCVEGCSA-N 1 1 319.365 -1.005 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001032899807 663640378 /nfs/dbraw/zinc/64/03/78/663640378.db2.gz NEOGZALTVGHQBJ-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001032899807 663640382 /nfs/dbraw/zinc/64/03/82/663640382.db2.gz NEOGZALTVGHQBJ-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894023 663640504 /nfs/dbraw/zinc/64/05/04/663640504.db2.gz SDFVXWFJWFBIRO-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894023 663640506 /nfs/dbraw/zinc/64/05/06/663640506.db2.gz SDFVXWFJWFBIRO-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032898629 663640518 /nfs/dbraw/zinc/64/05/18/663640518.db2.gz WJBIKZOEGYBWNP-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894006 663640536 /nfs/dbraw/zinc/64/05/36/663640536.db2.gz RWUGZLBVYHWNOI-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894006 663640537 /nfs/dbraw/zinc/64/05/37/663640537.db2.gz RWUGZLBVYHWNOI-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001032894531 663640539 /nfs/dbraw/zinc/64/05/39/663640539.db2.gz YKXKKRLTGJEFBW-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001032894531 663640540 /nfs/dbraw/zinc/64/05/40/663640540.db2.gz YKXKKRLTGJEFBW-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001032898628 663640744 /nfs/dbraw/zinc/64/07/44/663640744.db2.gz WJBIKZOEGYBWNP-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cccnn3)C2)C1 ZINC001003826335 663640869 /nfs/dbraw/zinc/64/08/69/663640869.db2.gz SDOMXWXXLHTCCH-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cccnn3)C2)C1 ZINC001003826335 663640870 /nfs/dbraw/zinc/64/08/70/663640870.db2.gz SDOMXWXXLHTCCH-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(N)=O)CC1 ZINC001003943651 663641879 /nfs/dbraw/zinc/64/18/79/663641879.db2.gz JQYMHVCLHBITLQ-NSHDSACASA-N 1 1 311.386 -1.015 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003954816 663642478 /nfs/dbraw/zinc/64/24/78/663642478.db2.gz MYSBDCHXKSTMDP-GHMZBOCLSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003949119 663643112 /nfs/dbraw/zinc/64/31/12/663643112.db2.gz DPXOLXKCEWBWNG-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC001003949007 663643118 /nfs/dbraw/zinc/64/31/18/663643118.db2.gz CJDCQCXEHZSCIS-JLLWLGSASA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003949118 663643277 /nfs/dbraw/zinc/64/32/77/663643277.db2.gz DPXOLXKCEWBWNG-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003951751 663643483 /nfs/dbraw/zinc/64/34/83/663643483.db2.gz YMLOGWCPECQEBY-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003950730 663643613 /nfs/dbraw/zinc/64/36/13/663643613.db2.gz KXIFSNORVMJZSV-GHMZBOCLSA-N 1 1 309.370 -1.806 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003952666 663643870 /nfs/dbraw/zinc/64/38/70/663643870.db2.gz QGMJIUMCMSMCDF-ZYHUDNBSSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003952661 663643968 /nfs/dbraw/zinc/64/39/68/663643968.db2.gz QGMJIUMCMSMCDF-PWSUYJOCSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003952656 663644125 /nfs/dbraw/zinc/64/41/25/663644125.db2.gz QGMJIUMCMSMCDF-JQWIXIFHSA-N 1 1 323.397 -1.416 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001033018163 663644627 /nfs/dbraw/zinc/64/46/27/663644627.db2.gz ADUBDHGMLCRCRO-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001033018163 663644629 /nfs/dbraw/zinc/64/46/29/663644629.db2.gz ADUBDHGMLCRCRO-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017047 663644772 /nfs/dbraw/zinc/64/47/72/663644772.db2.gz RQQWFZGKOGQDLB-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017047 663644774 /nfs/dbraw/zinc/64/47/74/663644774.db2.gz RQQWFZGKOGQDLB-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033022730 663645017 /nfs/dbraw/zinc/64/50/17/663645017.db2.gz JDPLUNLFZOEUAC-QWRGUYRKSA-N 1 1 324.385 -1.007 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033023097 663645111 /nfs/dbraw/zinc/64/51/11/663645111.db2.gz NAFUELUKNSFMBQ-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033023097 663645113 /nfs/dbraw/zinc/64/51/13/663645113.db2.gz NAFUELUKNSFMBQ-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024691 663645177 /nfs/dbraw/zinc/64/51/77/663645177.db2.gz ZZQLKVLLNBLHPS-UWVGGRQHSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024691 663645180 /nfs/dbraw/zinc/64/51/80/663645180.db2.gz ZZQLKVLLNBLHPS-UWVGGRQHSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001004075833 663645228 /nfs/dbraw/zinc/64/52/28/663645228.db2.gz PWBXZBMUGVFBHE-UHFFFAOYSA-N 1 1 324.385 -1.783 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033022725 663645264 /nfs/dbraw/zinc/64/52/64/663645264.db2.gz JDPLUNLFZOEUAC-GHMZBOCLSA-N 1 1 324.385 -1.007 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024694 663645350 /nfs/dbraw/zinc/64/53/50/663645350.db2.gz ZZQLKVLLNBLHPS-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024694 663645352 /nfs/dbraw/zinc/64/53/52/663645352.db2.gz ZZQLKVLLNBLHPS-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033024504 663645373 /nfs/dbraw/zinc/64/53/73/663645373.db2.gz XRTWYXVUBFKLQF-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001004135111 663645831 /nfs/dbraw/zinc/64/58/31/663645831.db2.gz ZRCGPRWHORSDNQ-UHFFFAOYSA-N 1 1 309.326 -1.835 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001033038443 663645958 /nfs/dbraw/zinc/64/59/58/663645958.db2.gz QNARQYVNFNDFNG-STQMWFEESA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001033038443 663645960 /nfs/dbraw/zinc/64/59/60/663645960.db2.gz QNARQYVNFNDFNG-STQMWFEESA-N 1 1 308.382 -1.114 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004114426 663645974 /nfs/dbraw/zinc/64/59/74/663645974.db2.gz RCMCHLNMQTYQOF-NSHDSACASA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001004107071 663645988 /nfs/dbraw/zinc/64/59/88/663645988.db2.gz CATLMVKVQAHPNZ-MRVPVSSYSA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033044281 663646338 /nfs/dbraw/zinc/64/63/38/663646338.db2.gz DBCHIUWHUREBJJ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033044281 663646340 /nfs/dbraw/zinc/64/63/40/663646340.db2.gz DBCHIUWHUREBJJ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033044478 663646664 /nfs/dbraw/zinc/64/66/64/663646664.db2.gz FSRVQTVQBVGEMH-GHMZBOCLSA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033044279 663646681 /nfs/dbraw/zinc/64/66/81/663646681.db2.gz DBCHIUWHUREBJJ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033044279 663646682 /nfs/dbraw/zinc/64/66/82/663646682.db2.gz DBCHIUWHUREBJJ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033054177 663646900 /nfs/dbraw/zinc/64/69/00/663646900.db2.gz HWSPKAMLKDSPIT-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033055468 663647006 /nfs/dbraw/zinc/64/70/06/663647006.db2.gz WNZQNQYUCHTWGQ-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033055468 663647008 /nfs/dbraw/zinc/64/70/08/663647008.db2.gz WNZQNQYUCHTWGQ-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004167414 663647059 /nfs/dbraw/zinc/64/70/59/663647059.db2.gz PTXVKYIDOXJQQT-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033059488 663647065 /nfs/dbraw/zinc/64/70/65/663647065.db2.gz YQWZAPDAKYKOGN-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033059488 663647067 /nfs/dbraw/zinc/64/70/67/663647067.db2.gz YQWZAPDAKYKOGN-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033054176 663647101 /nfs/dbraw/zinc/64/71/01/663647101.db2.gz HWSPKAMLKDSPIT-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004167475 663647118 /nfs/dbraw/zinc/64/71/18/663647118.db2.gz QGBURSPZTCEVAG-VIFPVBQESA-N 1 1 304.372 -2.256 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033057746 663647220 /nfs/dbraw/zinc/64/72/20/663647220.db2.gz LSYGBHLDKPKWGN-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001004175056 663647236 /nfs/dbraw/zinc/64/72/36/663647236.db2.gz DYKNSLGYBPDGAS-GFCCVEGCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004207609 663647590 /nfs/dbraw/zinc/64/75/90/663647590.db2.gz QPDKWPIXUZFBNZ-MRVPVSSYSA-N 1 1 323.357 -2.169 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004262422 663647735 /nfs/dbraw/zinc/64/77/35/663647735.db2.gz BMQPYWVHKUPKDO-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033086189 663647956 /nfs/dbraw/zinc/64/79/56/663647956.db2.gz LJTNBLGATSVVPZ-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033086189 663647957 /nfs/dbraw/zinc/64/79/57/663647957.db2.gz LJTNBLGATSVVPZ-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087216 663647998 /nfs/dbraw/zinc/64/79/98/663647998.db2.gz OJTFHEROURGSTG-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087216 663647999 /nfs/dbraw/zinc/64/79/99/663647999.db2.gz OJTFHEROURGSTG-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086043 663648005 /nfs/dbraw/zinc/64/80/05/663648005.db2.gz KWODKWAMDDQPPE-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086043 663648006 /nfs/dbraw/zinc/64/80/06/663648006.db2.gz KWODKWAMDDQPPE-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033086198 663648026 /nfs/dbraw/zinc/64/80/26/663648026.db2.gz LJTNBLGATSVVPZ-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033086198 663648027 /nfs/dbraw/zinc/64/80/27/663648027.db2.gz LJTNBLGATSVVPZ-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087227 663648139 /nfs/dbraw/zinc/64/81/39/663648139.db2.gz OJTFHEROURGSTG-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087227 663648141 /nfs/dbraw/zinc/64/81/41/663648141.db2.gz OJTFHEROURGSTG-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097497 663648422 /nfs/dbraw/zinc/64/84/22/663648422.db2.gz ZHJBOAFLHYELEO-BDAKNGLRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097497 663648424 /nfs/dbraw/zinc/64/84/24/663648424.db2.gz ZHJBOAFLHYELEO-BDAKNGLRSA-N 1 1 323.357 -2.217 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033097041 663648751 /nfs/dbraw/zinc/64/87/51/663648751.db2.gz UGYJDOKRKHTBDK-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001004460638 663650147 /nfs/dbraw/zinc/65/01/47/663650147.db2.gz UBACOJTVLXKYMC-JQWIXIFHSA-N 1 1 321.385 -1.555 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001033130646 663650928 /nfs/dbraw/zinc/65/09/28/663650928.db2.gz GYTJCRUSXYOFAB-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033132608 663651568 /nfs/dbraw/zinc/65/15/68/663651568.db2.gz VLMFUHRQKYYFEF-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033152053 663652143 /nfs/dbraw/zinc/65/21/43/663652143.db2.gz JSTMZJJZPQHDTM-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033152053 663652144 /nfs/dbraw/zinc/65/21/44/663652144.db2.gz JSTMZJJZPQHDTM-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)CC(N)=O ZINC001004775530 663653178 /nfs/dbraw/zinc/65/31/78/663653178.db2.gz RTRQXPWRKUBYRG-VHSXEESVSA-N 1 1 309.374 -1.055 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001004775531 663653369 /nfs/dbraw/zinc/65/33/69/663653369.db2.gz RTRQXPWRKUBYRG-ZJUUUORDSA-N 1 1 309.374 -1.055 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCOC1 ZINC001038093679 663653918 /nfs/dbraw/zinc/65/39/18/663653918.db2.gz BCGVZYFAXAQNHL-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCOC1 ZINC001038093679 663653921 /nfs/dbraw/zinc/65/39/21/663653921.db2.gz BCGVZYFAXAQNHL-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946752018 663654253 /nfs/dbraw/zinc/65/42/53/663654253.db2.gz ONBCARWIBISOCV-PHIMTYICSA-N 1 1 317.411 -1.313 20 0 DAADMO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)nc1=O ZINC000946748014 663654269 /nfs/dbraw/zinc/65/42/69/663654269.db2.gz ZQEDXLWOPSQBAC-AOOOYVTPSA-N 1 1 322.369 -1.736 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946746523 663654498 /nfs/dbraw/zinc/65/44/98/663654498.db2.gz BHXNARLLYXQUND-AXFHLTTASA-N 1 1 309.370 -1.677 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946752125 663654532 /nfs/dbraw/zinc/65/45/32/663654532.db2.gz UPBYDTKYLSUMGJ-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209003 663654829 /nfs/dbraw/zinc/65/48/29/663654829.db2.gz WADVEBGFFPRTGF-ZJUUUORDSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209003 663654830 /nfs/dbraw/zinc/65/48/30/663654830.db2.gz WADVEBGFFPRTGF-ZJUUUORDSA-N 1 1 310.358 -2.012 20 0 DAADMO CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033206876 663654900 /nfs/dbraw/zinc/65/49/00/663654900.db2.gz LRXHXWOYUKNDGH-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206682 663655132 /nfs/dbraw/zinc/65/51/32/663655132.db2.gz IIRLPUOTKMWQKX-NSHDSACASA-N 1 1 324.385 -1.797 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206682 663655133 /nfs/dbraw/zinc/65/51/33/663655133.db2.gz IIRLPUOTKMWQKX-NSHDSACASA-N 1 1 324.385 -1.797 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033212117 663655156 /nfs/dbraw/zinc/65/51/56/663655156.db2.gz PXTMFZFEODOHIC-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033208868 663655169 /nfs/dbraw/zinc/65/51/69/663655169.db2.gz SYYHYWAWXBMPTQ-QWRGUYRKSA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033208868 663655170 /nfs/dbraw/zinc/65/51/70/663655170.db2.gz SYYHYWAWXBMPTQ-QWRGUYRKSA-N 1 1 322.369 -1.997 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209001 663655220 /nfs/dbraw/zinc/65/52/20/663655220.db2.gz WADVEBGFFPRTGF-UWVGGRQHSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209001 663655221 /nfs/dbraw/zinc/65/52/21/663655221.db2.gz WADVEBGFFPRTGF-UWVGGRQHSA-N 1 1 310.358 -2.012 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207649 663655237 /nfs/dbraw/zinc/65/52/37/663655237.db2.gz NQUDBBCHIIHZQQ-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207649 663655240 /nfs/dbraw/zinc/65/52/40/663655240.db2.gz NQUDBBCHIIHZQQ-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241015 663656417 /nfs/dbraw/zinc/65/64/17/663656417.db2.gz QYTPSICZORVOKX-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241015 663656419 /nfs/dbraw/zinc/65/64/19/663656419.db2.gz QYTPSICZORVOKX-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275508 663656730 /nfs/dbraw/zinc/65/67/30/663656730.db2.gz IQODHRIYHRPIIH-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275508 663656731 /nfs/dbraw/zinc/65/67/31/663656731.db2.gz IQODHRIYHRPIIH-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275304 663656738 /nfs/dbraw/zinc/65/67/38/663656738.db2.gz HIBGEYORQOKWCQ-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275304 663656740 /nfs/dbraw/zinc/65/67/40/663656740.db2.gz HIBGEYORQOKWCQ-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C(=O)CN1CCCCS1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033265894 663656849 /nfs/dbraw/zinc/65/68/49/663656849.db2.gz KVMBJZNUQRBFDF-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275507 663656911 /nfs/dbraw/zinc/65/69/11/663656911.db2.gz IQODHRIYHRPIIH-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275507 663656913 /nfs/dbraw/zinc/65/69/13/663656913.db2.gz IQODHRIYHRPIIH-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275504 663656985 /nfs/dbraw/zinc/65/69/85/663656985.db2.gz IQODHRIYHRPIIH-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275504 663656988 /nfs/dbraw/zinc/65/69/88/663656988.db2.gz IQODHRIYHRPIIH-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033275115 663657002 /nfs/dbraw/zinc/65/70/02/663657002.db2.gz FBOZYKGTNNPXKM-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033275115 663657004 /nfs/dbraw/zinc/65/70/04/663657004.db2.gz FBOZYKGTNNPXKM-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)Cn3cnnn3)CC2)C1 ZINC000946796472 663657420 /nfs/dbraw/zinc/65/74/20/663657420.db2.gz JVJCXTPWISPKGS-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033322437 663658271 /nfs/dbraw/zinc/65/82/71/663658271.db2.gz VIAYSUVYQHFDQE-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033322437 663658272 /nfs/dbraw/zinc/65/82/72/663658272.db2.gz VIAYSUVYQHFDQE-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033327031 663658298 /nfs/dbraw/zinc/65/82/98/663658298.db2.gz GGGYNZHQDFEFFR-RYUDHWBXSA-N 1 1 321.385 -1.166 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326135 663658362 /nfs/dbraw/zinc/65/83/62/663658362.db2.gz AEDUULQZFPFKHY-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326135 663658365 /nfs/dbraw/zinc/65/83/65/663658365.db2.gz AEDUULQZFPFKHY-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033321738 663658445 /nfs/dbraw/zinc/65/84/45/663658445.db2.gz NFUABAUWCFQYBX-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033321738 663658447 /nfs/dbraw/zinc/65/84/47/663658447.db2.gz NFUABAUWCFQYBX-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328148 663658515 /nfs/dbraw/zinc/65/85/15/663658515.db2.gz MUCRKXWSLWBVOF-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033336270 663658794 /nfs/dbraw/zinc/65/87/94/663658794.db2.gz OVACFYCFTYNHME-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033336270 663658796 /nfs/dbraw/zinc/65/87/96/663658796.db2.gz OVACFYCFTYNHME-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033337119 663658859 /nfs/dbraw/zinc/65/88/59/663658859.db2.gz FSZRIUFAHSDGRU-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033337119 663658861 /nfs/dbraw/zinc/65/88/61/663658861.db2.gz FSZRIUFAHSDGRU-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014710445 663659062 /nfs/dbraw/zinc/65/90/62/663659062.db2.gz HRMSOCYNUUEMBT-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014710445 663659063 /nfs/dbraw/zinc/65/90/63/663659063.db2.gz HRMSOCYNUUEMBT-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346838 663659299 /nfs/dbraw/zinc/65/92/99/663659299.db2.gz VDCXNWSQDQTNEY-ZJUUUORDSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346838 663659300 /nfs/dbraw/zinc/65/93/00/663659300.db2.gz VDCXNWSQDQTNEY-ZJUUUORDSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346834 663659470 /nfs/dbraw/zinc/65/94/70/663659470.db2.gz VDCXNWSQDQTNEY-NXEZZACHSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346834 663659472 /nfs/dbraw/zinc/65/94/72/663659472.db2.gz VDCXNWSQDQTNEY-NXEZZACHSA-N 1 1 309.374 -1.167 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033347259 663659587 /nfs/dbraw/zinc/65/95/87/663659587.db2.gz XKJUDRGQWQCZIK-ZJUUUORDSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033347259 663659589 /nfs/dbraw/zinc/65/95/89/663659589.db2.gz XKJUDRGQWQCZIK-ZJUUUORDSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001033340105 663659602 /nfs/dbraw/zinc/65/96/02/663659602.db2.gz DBZHGHGVHAMBMQ-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033340105 663659603 /nfs/dbraw/zinc/65/96/03/663659603.db2.gz DBZHGHGVHAMBMQ-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033371692 663659831 /nfs/dbraw/zinc/65/98/31/663659831.db2.gz ANDLDTKNWMROCC-MWLCHTKSSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033371692 663659832 /nfs/dbraw/zinc/65/98/32/663659832.db2.gz ANDLDTKNWMROCC-MWLCHTKSSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001033375985 663660041 /nfs/dbraw/zinc/66/00/41/663660041.db2.gz MDGBCSWYQHNVFW-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001033375985 663660044 /nfs/dbraw/zinc/66/00/44/663660044.db2.gz MDGBCSWYQHNVFW-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033371697 663660053 /nfs/dbraw/zinc/66/00/53/663660053.db2.gz ANDLDTKNWMROCC-ONGXEEELSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033371697 663660056 /nfs/dbraw/zinc/66/00/56/663660056.db2.gz ANDLDTKNWMROCC-ONGXEEELSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001033376413 663660167 /nfs/dbraw/zinc/66/01/67/663660167.db2.gz PZRCXPCIVVJYTG-JTQLQIEISA-N 1 1 323.401 -1.011 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001033376413 663660169 /nfs/dbraw/zinc/66/01/69/663660169.db2.gz PZRCXPCIVVJYTG-JTQLQIEISA-N 1 1 323.401 -1.011 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001033375986 663660173 /nfs/dbraw/zinc/66/01/73/663660173.db2.gz MDGBCSWYQHNVFW-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001033375986 663660175 /nfs/dbraw/zinc/66/01/75/663660175.db2.gz MDGBCSWYQHNVFW-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033373824 663660208 /nfs/dbraw/zinc/66/02/08/663660208.db2.gz RDAWMDJISYYLCE-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033373824 663660209 /nfs/dbraw/zinc/66/02/09/663660209.db2.gz RDAWMDJISYYLCE-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001033376943 663660214 /nfs/dbraw/zinc/66/02/14/663660214.db2.gz WQBYUVQIMMQCJP-SNVBAGLBSA-N 1 1 318.337 -1.459 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001033376943 663660215 /nfs/dbraw/zinc/66/02/15/663660215.db2.gz WQBYUVQIMMQCJP-SNVBAGLBSA-N 1 1 318.337 -1.459 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001033376414 663660218 /nfs/dbraw/zinc/66/02/18/663660218.db2.gz PZRCXPCIVVJYTG-SNVBAGLBSA-N 1 1 323.401 -1.011 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001033376414 663660219 /nfs/dbraw/zinc/66/02/19/663660219.db2.gz PZRCXPCIVVJYTG-SNVBAGLBSA-N 1 1 323.401 -1.011 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033372908 663660224 /nfs/dbraw/zinc/66/02/24/663660224.db2.gz KUZMTESFZRNQID-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033500476 663661054 /nfs/dbraw/zinc/66/10/54/663661054.db2.gz YJIOYPJAAWBYCC-LOIXOFCESA-N 1 1 324.381 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501776 663661237 /nfs/dbraw/zinc/66/12/37/663661237.db2.gz IQIPPJMAZLVRGX-ONGXEEELSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501776 663661242 /nfs/dbraw/zinc/66/12/42/663661242.db2.gz IQIPPJMAZLVRGX-ONGXEEELSA-N 1 1 324.381 -1.294 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033469855 663661458 /nfs/dbraw/zinc/66/14/58/663661458.db2.gz RDXKFYXOIBPJFT-VIFPVBQESA-N 1 1 312.326 -2.068 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507209 663661808 /nfs/dbraw/zinc/66/18/08/663661808.db2.gz CYPMOYDBGBBGJT-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507209 663661810 /nfs/dbraw/zinc/66/18/10/663661810.db2.gz CYPMOYDBGBBGJT-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033502682 663662018 /nfs/dbraw/zinc/66/20/18/663662018.db2.gz REZQSUZVLBCAIZ-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C(=O)C1(n2cnnn2)CCOCC1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033490525 663662311 /nfs/dbraw/zinc/66/23/11/663662311.db2.gz SVJLDZXDLPSXFR-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033502162 663662528 /nfs/dbraw/zinc/66/25/28/663662528.db2.gz NHRXTOJXMQCFHT-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033566054 663662732 /nfs/dbraw/zinc/66/27/32/663662732.db2.gz ICVYQMVZFSHMMI-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033570836 663664096 /nfs/dbraw/zinc/66/40/96/663664096.db2.gz KQXPGUJESGJAAD-NXEZZACHSA-N 1 1 320.353 -1.315 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033570836 663664098 /nfs/dbraw/zinc/66/40/98/663664098.db2.gz KQXPGUJESGJAAD-NXEZZACHSA-N 1 1 320.353 -1.315 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001033599359 663664372 /nfs/dbraw/zinc/66/43/72/663664372.db2.gz OQZFXQZOYHILPM-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001033599359 663664374 /nfs/dbraw/zinc/66/43/74/663664374.db2.gz OQZFXQZOYHILPM-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646724 663664828 /nfs/dbraw/zinc/66/48/28/663664828.db2.gz SULZDTZTLTZRMF-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646724 663664833 /nfs/dbraw/zinc/66/48/33/663664833.db2.gz SULZDTZTLTZRMF-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033638278 663664989 /nfs/dbraw/zinc/66/49/89/663664989.db2.gz YUGUOUZPYDUDLB-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033639878 663665003 /nfs/dbraw/zinc/66/50/03/663665003.db2.gz JCXIAYJXUMHXGZ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033639878 663665004 /nfs/dbraw/zinc/66/50/04/663665004.db2.gz JCXIAYJXUMHXGZ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001033624996 663665038 /nfs/dbraw/zinc/66/50/38/663665038.db2.gz FNHHJGMKQCTVDM-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001033624996 663665039 /nfs/dbraw/zinc/66/50/39/663665039.db2.gz FNHHJGMKQCTVDM-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626250 663665181 /nfs/dbraw/zinc/66/51/81/663665181.db2.gz OMYJRDJWJQCCCQ-KOLCDFICSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626250 663665184 /nfs/dbraw/zinc/66/51/84/663665184.db2.gz OMYJRDJWJQCCCQ-KOLCDFICSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660175 663665786 /nfs/dbraw/zinc/66/57/86/663665786.db2.gz NVQSJPSAWQLUAK-DTWKUNHWSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660175 663665789 /nfs/dbraw/zinc/66/57/89/663665789.db2.gz NVQSJPSAWQLUAK-DTWKUNHWSA-N 1 1 323.353 -1.494 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671110 663665829 /nfs/dbraw/zinc/66/58/29/663665829.db2.gz MDJYXZYMXHNWJK-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033642745 663665857 /nfs/dbraw/zinc/66/58/57/663665857.db2.gz SGMPQDJNRWZZOF-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033642745 663665859 /nfs/dbraw/zinc/66/58/59/663665859.db2.gz SGMPQDJNRWZZOF-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671104 663665918 /nfs/dbraw/zinc/66/59/18/663665918.db2.gz MDJYXZYMXHNWJK-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033645349 663665952 /nfs/dbraw/zinc/66/59/52/663665952.db2.gz BYJSBBZANLFWLE-QWRGUYRKSA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033645349 663665955 /nfs/dbraw/zinc/66/59/55/663665955.db2.gz BYJSBBZANLFWLE-QWRGUYRKSA-N 1 1 322.365 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671739 663666143 /nfs/dbraw/zinc/66/61/43/663666143.db2.gz QCZVTFJINIPBMU-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671739 663666144 /nfs/dbraw/zinc/66/61/44/663666144.db2.gz QCZVTFJINIPBMU-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033644830 663666153 /nfs/dbraw/zinc/66/61/53/663666153.db2.gz QOVYTYZWSSWYAZ-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033644830 663666155 /nfs/dbraw/zinc/66/61/55/663666155.db2.gz QOVYTYZWSSWYAZ-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690259 663666383 /nfs/dbraw/zinc/66/63/83/663666383.db2.gz HLTUBMSEAQGORC-UWVGGRQHSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690259 663666384 /nfs/dbraw/zinc/66/63/84/663666384.db2.gz HLTUBMSEAQGORC-UWVGGRQHSA-N 1 1 309.370 -1.256 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033687012 663666393 /nfs/dbraw/zinc/66/63/93/663666393.db2.gz WEPKIGOBUVVJTK-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033686998 663666526 /nfs/dbraw/zinc/66/65/26/663666526.db2.gz WBTGDGXXFLDXTI-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033693130 663666598 /nfs/dbraw/zinc/66/65/98/663666598.db2.gz PPGGZBXPPMVFTB-WDEREUQCSA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033693130 663666601 /nfs/dbraw/zinc/66/66/01/663666601.db2.gz PPGGZBXPPMVFTB-WDEREUQCSA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692521 663666609 /nfs/dbraw/zinc/66/66/09/663666609.db2.gz JFWNECLZMDCCSV-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692521 663666611 /nfs/dbraw/zinc/66/66/11/663666611.db2.gz JFWNECLZMDCCSV-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005286352 663666713 /nfs/dbraw/zinc/66/67/13/663666713.db2.gz DPZVWQCYYIGHLA-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2COCCN2C)CC1 ZINC001005275831 663666860 /nfs/dbraw/zinc/66/68/60/663666860.db2.gz QJNSSYRFCNTNIA-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692520 663666889 /nfs/dbraw/zinc/66/68/89/663666889.db2.gz JFWNECLZMDCCSV-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692520 663666892 /nfs/dbraw/zinc/66/68/92/663666892.db2.gz JFWNECLZMDCCSV-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005393209 663667243 /nfs/dbraw/zinc/66/72/43/663667243.db2.gz NQYHJTCSHULJHA-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033795351 663667283 /nfs/dbraw/zinc/66/72/83/663667283.db2.gz NWXDCVNGWKHSCR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033795351 663667285 /nfs/dbraw/zinc/66/72/85/663667285.db2.gz NWXDCVNGWKHSCR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)C1CC[NH+](CC(N)=O)CC1 ZINC001005415687 663667736 /nfs/dbraw/zinc/66/77/36/663667736.db2.gz NANHIFWHMJKGJD-UHFFFAOYSA-N 1 1 323.357 -2.215 20 0 DAADMO C[C@@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001005475143 663667842 /nfs/dbraw/zinc/66/78/42/663667842.db2.gz MUTMADSCXJCPPX-JTQLQIEISA-N 1 1 324.381 -1.068 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771434 663668017 /nfs/dbraw/zinc/66/80/17/663668017.db2.gz YBERGKXDEJMYQW-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771434 663668020 /nfs/dbraw/zinc/66/80/20/663668020.db2.gz YBERGKXDEJMYQW-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033984644 663668382 /nfs/dbraw/zinc/66/83/82/663668382.db2.gz VTCVAVICVLKMJB-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033983090 663668500 /nfs/dbraw/zinc/66/85/00/663668500.db2.gz MEJIZWIRQRMVGX-VTWZXRTESA-N 1 1 324.381 -1.110 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033938379 663668527 /nfs/dbraw/zinc/66/85/27/663668527.db2.gz OZJUWBVUIIRNTL-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033938379 663668529 /nfs/dbraw/zinc/66/85/29/663668529.db2.gz OZJUWBVUIIRNTL-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033970856 663668583 /nfs/dbraw/zinc/66/85/83/663668583.db2.gz FGVDVMDESHOHQI-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033986460 663668596 /nfs/dbraw/zinc/66/85/96/663668596.db2.gz RTICZTBBMNLXMO-KOLCDFICSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033986460 663668597 /nfs/dbraw/zinc/66/85/97/663668597.db2.gz RTICZTBBMNLXMO-KOLCDFICSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033986721 663668687 /nfs/dbraw/zinc/66/86/87/663668687.db2.gz XCJPWZLQTUITGI-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033986721 663668689 /nfs/dbraw/zinc/66/86/89/663668689.db2.gz XCJPWZLQTUITGI-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+](CC(=O)N2CCC2)C1 ZINC001034095859 663668960 /nfs/dbraw/zinc/66/89/60/663668960.db2.gz YWPQDAZQSYXLHW-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001034095859 663668962 /nfs/dbraw/zinc/66/89/62/663668962.db2.gz YWPQDAZQSYXLHW-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034049213 663669281 /nfs/dbraw/zinc/66/92/81/663669281.db2.gz LQLTVLACNMCEEJ-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034095342 663669321 /nfs/dbraw/zinc/66/93/21/663669321.db2.gz TZHSECCYYOZYIY-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034095342 663669322 /nfs/dbraw/zinc/66/93/22/663669322.db2.gz TZHSECCYYOZYIY-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034044353 663669329 /nfs/dbraw/zinc/66/93/29/663669329.db2.gz KILYCYGTNBRPQO-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034043339 663669342 /nfs/dbraw/zinc/66/93/42/663669342.db2.gz DJNUYIRXBKUKIT-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001034096017 663669368 /nfs/dbraw/zinc/66/93/68/663669368.db2.gz BBZOJZVWTZCUSF-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001034209238 663669540 /nfs/dbraw/zinc/66/95/40/663669540.db2.gz YMWNMUDNUBFEMR-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034208591 663669688 /nfs/dbraw/zinc/66/96/88/663669688.db2.gz UAYPZESOPYINGW-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001034209019 663669701 /nfs/dbraw/zinc/66/97/01/663669701.db2.gz WKHLDCYANOBZGR-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175379 663669767 /nfs/dbraw/zinc/66/97/67/663669767.db2.gz PMEWJFORHLZRIH-ZJUUUORDSA-N 1 1 310.358 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175379 663669768 /nfs/dbraw/zinc/66/97/68/663669768.db2.gz PMEWJFORHLZRIH-ZJUUUORDSA-N 1 1 310.358 -1.172 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946824660 663669802 /nfs/dbraw/zinc/66/98/02/663669802.db2.gz ZTGAQWCKOAJGLG-TXEJJXNPSA-N 1 1 324.381 -1.299 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034211842 663669820 /nfs/dbraw/zinc/66/98/20/663669820.db2.gz PBLRKRLYKGMDEZ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034211842 663669822 /nfs/dbraw/zinc/66/98/22/663669822.db2.gz PBLRKRLYKGMDEZ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001034209239 663669868 /nfs/dbraw/zinc/66/98/68/663669868.db2.gz YMWNMUDNUBFEMR-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)n1 ZINC001034216063 663669895 /nfs/dbraw/zinc/66/98/95/663669895.db2.gz CYOGINCFIABLKA-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175378 663669903 /nfs/dbraw/zinc/66/99/03/663669903.db2.gz PMEWJFORHLZRIH-VHSXEESVSA-N 1 1 310.358 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175378 663669906 /nfs/dbraw/zinc/66/99/06/663669906.db2.gz PMEWJFORHLZRIH-VHSXEESVSA-N 1 1 310.358 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175375 663670002 /nfs/dbraw/zinc/67/00/02/663670002.db2.gz PMEWJFORHLZRIH-NXEZZACHSA-N 1 1 310.358 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175375 663670005 /nfs/dbraw/zinc/67/00/05/663670005.db2.gz PMEWJFORHLZRIH-NXEZZACHSA-N 1 1 310.358 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279877 663670185 /nfs/dbraw/zinc/67/01/85/663670185.db2.gz QLYDILFQGXVQAR-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279877 663670186 /nfs/dbraw/zinc/67/01/86/663670186.db2.gz QLYDILFQGXVQAR-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034301381 663670196 /nfs/dbraw/zinc/67/01/96/663670196.db2.gz LOMWYBSHDYFVKA-NSHDSACASA-N 1 1 310.354 -1.088 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)ncc1=O ZINC001034317979 663670697 /nfs/dbraw/zinc/67/06/97/663670697.db2.gz YZWLKMTYTRAVNE-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001034317979 663670699 /nfs/dbraw/zinc/67/06/99/663670699.db2.gz YZWLKMTYTRAVNE-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034378606 663670992 /nfs/dbraw/zinc/67/09/92/663670992.db2.gz KIIPUVSMIQDWDS-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034378606 663670996 /nfs/dbraw/zinc/67/09/96/663670996.db2.gz KIIPUVSMIQDWDS-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034377950 663671047 /nfs/dbraw/zinc/67/10/47/663671047.db2.gz GQZSBKDSUDXWAZ-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034377950 663671049 /nfs/dbraw/zinc/67/10/49/663671049.db2.gz GQZSBKDSUDXWAZ-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001034379856 663671077 /nfs/dbraw/zinc/67/10/77/663671077.db2.gz FPDBACADVKEZOF-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001034371240 663671142 /nfs/dbraw/zinc/67/11/42/663671142.db2.gz APZSEXFBYZVMBR-QWRGUYRKSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001034371240 663671144 /nfs/dbraw/zinc/67/11/44/663671144.db2.gz APZSEXFBYZVMBR-QWRGUYRKSA-N 1 1 317.411 -1.123 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034378607 663671167 /nfs/dbraw/zinc/67/11/67/663671167.db2.gz KIIPUVSMIQDWDS-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034378607 663671168 /nfs/dbraw/zinc/67/11/68/663671168.db2.gz KIIPUVSMIQDWDS-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379224 663671176 /nfs/dbraw/zinc/67/11/76/663671176.db2.gz NSCBFFOHZRLIIP-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379224 663671178 /nfs/dbraw/zinc/67/11/78/663671178.db2.gz NSCBFFOHZRLIIP-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001034377688 663671341 /nfs/dbraw/zinc/67/13/41/663671341.db2.gz FTORZAONXQTEHM-VXGBXAGGSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034377948 663671357 /nfs/dbraw/zinc/67/13/57/663671357.db2.gz GQZSBKDSUDXWAZ-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034377948 663671360 /nfs/dbraw/zinc/67/13/60/663671360.db2.gz GQZSBKDSUDXWAZ-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001034422983 663671640 /nfs/dbraw/zinc/67/16/40/663671640.db2.gz ZHMMOLDWTGHEJS-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001034422983 663671642 /nfs/dbraw/zinc/67/16/42/663671642.db2.gz ZHMMOLDWTGHEJS-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034446723 663671766 /nfs/dbraw/zinc/67/17/66/663671766.db2.gz WORUKVHRNAFIHH-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)S1(=O)=O ZINC001034442170 663671851 /nfs/dbraw/zinc/67/18/51/663671851.db2.gz MVOPKBXGHHFYEW-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034525068 663671876 /nfs/dbraw/zinc/67/18/76/663671876.db2.gz XFGQPHHDPDCYOV-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@H]1CCCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001034443617 663671884 /nfs/dbraw/zinc/67/18/84/663671884.db2.gz YFFSLOLWPBLWFU-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001034396818 663671914 /nfs/dbraw/zinc/67/19/14/663671914.db2.gz FVWUYJXQIKWQKR-OUAUKWLOSA-N 1 1 312.370 -1.525 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001034396818 663671916 /nfs/dbraw/zinc/67/19/16/663671916.db2.gz FVWUYJXQIKWQKR-OUAUKWLOSA-N 1 1 312.370 -1.525 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001034422985 663671939 /nfs/dbraw/zinc/67/19/39/663671939.db2.gz ZHMMOLDWTGHEJS-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001034422985 663671940 /nfs/dbraw/zinc/67/19/40/663671940.db2.gz ZHMMOLDWTGHEJS-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447020 663671958 /nfs/dbraw/zinc/67/19/58/663671958.db2.gz DOPZYHQHMQUFOZ-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@H]1CCCC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001034420398 663671998 /nfs/dbraw/zinc/67/19/98/663671998.db2.gz HSCXOPLKWHVSJA-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034514967 663672002 /nfs/dbraw/zinc/67/20/02/663672002.db2.gz COCPEZROXOFZQF-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034514967 663672004 /nfs/dbraw/zinc/67/20/04/663672004.db2.gz COCPEZROXOFZQF-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034560025 663672392 /nfs/dbraw/zinc/67/23/92/663672392.db2.gz UAYGVJLIUIVMTM-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034560025 663672395 /nfs/dbraw/zinc/67/23/95/663672395.db2.gz UAYGVJLIUIVMTM-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001034551729 663672449 /nfs/dbraw/zinc/67/24/49/663672449.db2.gz HIYUVBYDJZVALH-MNOVXSKESA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001034551729 663672451 /nfs/dbraw/zinc/67/24/51/663672451.db2.gz HIYUVBYDJZVALH-MNOVXSKESA-N 1 1 311.386 -1.015 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3ncnn3)CC2)n1 ZINC001034646285 663673096 /nfs/dbraw/zinc/67/30/96/663673096.db2.gz QYJJONTYRFFPJK-MGCOHNPYSA-N 1 1 320.361 -1.586 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794165 663674626 /nfs/dbraw/zinc/67/46/26/663674626.db2.gz ALBIPUYEIPLDAH-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794165 663674627 /nfs/dbraw/zinc/67/46/27/663674627.db2.gz ALBIPUYEIPLDAH-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CS(C)(=O)=O)nn1 ZINC001034872274 663675151 /nfs/dbraw/zinc/67/51/51/663675151.db2.gz PPDZOHCSMJAWPG-LLVKDONJSA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001034871572 663675255 /nfs/dbraw/zinc/67/52/55/663675255.db2.gz ACALPLPMIHRUDR-SECBINFHSA-N 1 1 316.387 -1.665 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001034912710 663675287 /nfs/dbraw/zinc/67/52/87/663675287.db2.gz AYEAIPITBWLPGB-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001034911732 663675478 /nfs/dbraw/zinc/67/54/78/663675478.db2.gz KRLBGDRKZHPCNB-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)nn1 ZINC001034927907 663675632 /nfs/dbraw/zinc/67/56/32/663675632.db2.gz AOAWXRDHFRIPMJ-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001034937384 663675696 /nfs/dbraw/zinc/67/56/96/663675696.db2.gz OLKGMRAWOOYJGL-SECBINFHSA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001034915937 663675719 /nfs/dbraw/zinc/67/57/19/663675719.db2.gz XFILZYVCEBFGSD-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)C[NH+]1CCOCC1 ZINC000625747397 663675950 /nfs/dbraw/zinc/67/59/50/663675950.db2.gz CWSZZMPUXLKJIH-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001035016025 663676310 /nfs/dbraw/zinc/67/63/10/663676310.db2.gz OCWHMVMJVAYTQO-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)NC1=O ZINC001035011151 663676339 /nfs/dbraw/zinc/67/63/39/663676339.db2.gz AQSCBAGSYMVXKB-NXEZZACHSA-N 1 1 322.373 -1.686 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001035030287 663676669 /nfs/dbraw/zinc/67/66/69/663676669.db2.gz FABISCBHDVVODI-NXEZZACHSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001035016531 663676700 /nfs/dbraw/zinc/67/67/00/663676700.db2.gz BQWKLJPZQOFUSD-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001035075725 663676928 /nfs/dbraw/zinc/67/69/28/663676928.db2.gz NHMRCBCODXOOST-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001035030481 663676958 /nfs/dbraw/zinc/67/69/58/663676958.db2.gz JUOCXFIZBQQZMG-MNOVXSKESA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001035085298 663677052 /nfs/dbraw/zinc/67/70/52/663677052.db2.gz VEVMFPYYHQFDBC-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)n1 ZINC001035030480 663677172 /nfs/dbraw/zinc/67/71/72/663677172.db2.gz JUOCXFIZBQQZMG-GHMZBOCLSA-N 1 1 307.358 -1.423 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001035031577 663677209 /nfs/dbraw/zinc/67/72/09/663677209.db2.gz YPBVUHUXJYEWPG-NXEZZACHSA-N 1 1 307.358 -1.125 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001035052489 663677269 /nfs/dbraw/zinc/67/72/69/663677269.db2.gz OVIOIJNRHIHXAF-BBBLOLIVSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C ZINC001035025455 663677328 /nfs/dbraw/zinc/67/73/28/663677328.db2.gz OCWHMVMJVAYTQO-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001035031621 663677362 /nfs/dbraw/zinc/67/73/62/663677362.db2.gz ZYVLFSWKAQWLOW-NXEZZACHSA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC[N@@H+](CCN3CCNC3=O)C2)CC1 ZINC001035220704 663677559 /nfs/dbraw/zinc/67/75/59/663677559.db2.gz LWOUEPGQNLRRCJ-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO Cn1nnc(C(=O)N2CCC3(CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001035214828 663677679 /nfs/dbraw/zinc/67/76/79/663677679.db2.gz GVHURPZHOGAXQX-UHFFFAOYSA-N 1 1 307.358 -1.377 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC001035210914 663677728 /nfs/dbraw/zinc/67/77/28/663677728.db2.gz FYZZLLKPYXNWJK-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001035228486 663677752 /nfs/dbraw/zinc/67/77/52/663677752.db2.gz RSJLSYJGJDQJND-MNOVXSKESA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035156935 663677766 /nfs/dbraw/zinc/67/77/66/663677766.db2.gz FPSVDDDXWURLKF-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001035097747 663677798 /nfs/dbraw/zinc/67/77/98/663677798.db2.gz BZEVMFQICXLWMD-SECBINFHSA-N 1 1 305.346 -1.349 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035185921 663677805 /nfs/dbraw/zinc/67/78/05/663677805.db2.gz MACJESPMWFSNTJ-UHFFFAOYSA-N 1 1 307.358 -1.527 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035195190 663677981 /nfs/dbraw/zinc/67/79/81/663677981.db2.gz RHAGIVWQAAOKGA-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035231647 663678300 /nfs/dbraw/zinc/67/83/00/663678300.db2.gz PQBGCRRCWZIUSA-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035306477 663678541 /nfs/dbraw/zinc/67/85/41/663678541.db2.gz KHZJRMNSGBQOSF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnnc1CN1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035305734 663678600 /nfs/dbraw/zinc/67/86/00/663678600.db2.gz DSELARDRSCQKEK-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035305737 663678648 /nfs/dbraw/zinc/67/86/48/663678648.db2.gz DSELARDRSCQKEK-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035306476 663678677 /nfs/dbraw/zinc/67/86/77/663678677.db2.gz KHZJRMNSGBQOSF-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403972 663682027 /nfs/dbraw/zinc/68/20/27/663682027.db2.gz KAJUWNMGOUULRP-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403972 663682030 /nfs/dbraw/zinc/68/20/30/663682030.db2.gz KAJUWNMGOUULRP-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)c1ccc2nnnn2c1 ZINC001035443750 663683243 /nfs/dbraw/zinc/68/32/43/663683243.db2.gz HWWAPPPXGVMLGV-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)c1ccc2nnnn2c1 ZINC001035443750 663683244 /nfs/dbraw/zinc/68/32/44/663683244.db2.gz HWWAPPPXGVMLGV-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035515947 663685407 /nfs/dbraw/zinc/68/54/07/663685407.db2.gz LZEUGOWAOHRBAW-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035515947 663685410 /nfs/dbraw/zinc/68/54/10/663685410.db2.gz LZEUGOWAOHRBAW-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510778 663685517 /nfs/dbraw/zinc/68/55/17/663685517.db2.gz NCUFIXIOWKLVPP-UWVGGRQHSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510778 663685519 /nfs/dbraw/zinc/68/55/19/663685519.db2.gz NCUFIXIOWKLVPP-UWVGGRQHSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035536557 663685989 /nfs/dbraw/zinc/68/59/89/663685989.db2.gz ZXCGYAVZCFXOIE-UWVGGRQHSA-N 1 1 314.342 -2.216 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035536557 663685990 /nfs/dbraw/zinc/68/59/90/663685990.db2.gz ZXCGYAVZCFXOIE-UWVGGRQHSA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560327 663687398 /nfs/dbraw/zinc/68/73/98/663687398.db2.gz UDWHPJYXBAEHEC-GXSJLCMTSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560327 663687401 /nfs/dbraw/zinc/68/74/01/663687401.db2.gz UDWHPJYXBAEHEC-GXSJLCMTSA-N 1 1 310.354 -1.075 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)CCO2)C1 ZINC001035600219 663687495 /nfs/dbraw/zinc/68/74/95/663687495.db2.gz OYLJEXXSPSVQHC-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnnc1CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035599402 663687505 /nfs/dbraw/zinc/68/75/05/663687505.db2.gz IIVUYPVGEQDIHW-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035604802 663687767 /nfs/dbraw/zinc/68/77/67/663687767.db2.gz OWRQGOBQVVPADY-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035604799 663687825 /nfs/dbraw/zinc/68/78/25/663687825.db2.gz OWRQGOBQVVPADY-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604057 663687832 /nfs/dbraw/zinc/68/78/32/663687832.db2.gz YGBLQZILAMUAGF-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604057 663687835 /nfs/dbraw/zinc/68/78/35/663687835.db2.gz YGBLQZILAMUAGF-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620966 663688154 /nfs/dbraw/zinc/68/81/54/663688154.db2.gz JSQNSUUJCGOKJP-CMPLNLGQSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620966 663688156 /nfs/dbraw/zinc/68/81/56/663688156.db2.gz JSQNSUUJCGOKJP-CMPLNLGQSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613869 663689035 /nfs/dbraw/zinc/68/90/35/663689035.db2.gz LXEQFOQNNALINY-MFKMUULPSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613869 663689037 /nfs/dbraw/zinc/68/90/37/663689037.db2.gz LXEQFOQNNALINY-MFKMUULPSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)c1 ZINC001035612698 663689072 /nfs/dbraw/zinc/68/90/72/663689072.db2.gz CXVYNWLCYATUSD-CYBMUJFWSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)c1 ZINC001035612698 663689074 /nfs/dbraw/zinc/68/90/74/663689074.db2.gz CXVYNWLCYATUSD-CYBMUJFWSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CN1CN=NC1=O)CC2 ZINC001035690431 663689489 /nfs/dbraw/zinc/68/94/89/663689489.db2.gz QQPGRXIICOVZOL-SNVBAGLBSA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC001035695797 663689535 /nfs/dbraw/zinc/68/95/35/663689535.db2.gz ZWMINVXBOYNWGD-VHSXEESVSA-N 1 1 310.354 -1.107 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1COCCN1C)CC2 ZINC001035690996 663689581 /nfs/dbraw/zinc/68/95/81/663689581.db2.gz GLNNSKDWVMRWKH-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705291 663689601 /nfs/dbraw/zinc/68/96/01/663689601.db2.gz BKAXNSPIQVHDNZ-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616425 663689610 /nfs/dbraw/zinc/68/96/10/663689610.db2.gz KDOYNWDOBIREMN-WDEREUQCSA-N 1 1 312.370 -1.465 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616425 663689611 /nfs/dbraw/zinc/68/96/11/663689611.db2.gz KDOYNWDOBIREMN-WDEREUQCSA-N 1 1 312.370 -1.465 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615451 663689620 /nfs/dbraw/zinc/68/96/20/663689620.db2.gz ZKAZOBSZQZDBPH-GHMZBOCLSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCF)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615451 663689621 /nfs/dbraw/zinc/68/96/21/663689621.db2.gz ZKAZOBSZQZDBPH-GHMZBOCLSA-N 1 1 323.390 -1.145 20 0 DAADMO NC(=O)CC(=O)N1CCC2(C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035672029 663689624 /nfs/dbraw/zinc/68/96/24/663689624.db2.gz CQKNZEXNAHXVOX-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705292 663689645 /nfs/dbraw/zinc/68/96/45/663689645.db2.gz BKAXNSPIQVHDNZ-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616424 663689668 /nfs/dbraw/zinc/68/96/68/663689668.db2.gz KDOYNWDOBIREMN-QWRGUYRKSA-N 1 1 312.370 -1.465 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616424 663689669 /nfs/dbraw/zinc/68/96/69/663689669.db2.gz KDOYNWDOBIREMN-QWRGUYRKSA-N 1 1 312.370 -1.465 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035615242 663689839 /nfs/dbraw/zinc/68/98/39/663689839.db2.gz XCYJPFPBHYGXGT-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035615242 663689841 /nfs/dbraw/zinc/68/98/41/663689841.db2.gz XCYJPFPBHYGXGT-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035694973 663689901 /nfs/dbraw/zinc/68/99/01/663689901.db2.gz HXSUXMNBVKWRRW-GHMZBOCLSA-N 1 1 322.365 -1.092 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035779959 663690074 /nfs/dbraw/zinc/69/00/74/663690074.db2.gz UNFYGOZLSDJNLF-ZJUUUORDSA-N 1 1 309.370 -1.534 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035706829 663690265 /nfs/dbraw/zinc/69/02/65/663690265.db2.gz RKDWXACLAXGARY-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC001035768290 663690378 /nfs/dbraw/zinc/69/03/78/663690378.db2.gz HJTZPDSUFMNXPU-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001035795921 663690752 /nfs/dbraw/zinc/69/07/52/663690752.db2.gz IUZTUJAWZHANMH-MXWKQRLJSA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001035913950 663691114 /nfs/dbraw/zinc/69/11/14/663691114.db2.gz VQAAKUCBJDDQQR-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036020841 663691128 /nfs/dbraw/zinc/69/11/28/663691128.db2.gz KZTKAGOWRBMWAV-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036029180 663691217 /nfs/dbraw/zinc/69/12/17/663691217.db2.gz GZOZWJQVGKYADP-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036020840 663691258 /nfs/dbraw/zinc/69/12/58/663691258.db2.gz KZTKAGOWRBMWAV-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036252392 663692193 /nfs/dbraw/zinc/69/21/93/663692193.db2.gz YBWYAQYBPYDYLC-ZJUUUORDSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036221438 663692206 /nfs/dbraw/zinc/69/22/06/663692206.db2.gz SUMKOIISNFUKED-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036226563 663692242 /nfs/dbraw/zinc/69/22/42/663692242.db2.gz XPBUKRAZHQGGCB-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036221437 663692452 /nfs/dbraw/zinc/69/24/52/663692452.db2.gz SUMKOIISNFUKED-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001036371539 663692769 /nfs/dbraw/zinc/69/27/69/663692769.db2.gz SGIUQKPQXJYAPF-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]Cc1nnnn1C ZINC001036527602 663692783 /nfs/dbraw/zinc/69/27/83/663692783.db2.gz GUDMAPYQJGQQKA-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036610856 663692803 /nfs/dbraw/zinc/69/28/03/663692803.db2.gz VLXZDIPFWTXERB-OLZOCXBDSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000922910875 663693456 /nfs/dbraw/zinc/69/34/56/663693456.db2.gz TVRZKKHGLWXZCX-MNOVXSKESA-N 1 1 317.415 -1.376 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036672486 663694040 /nfs/dbraw/zinc/69/40/40/663694040.db2.gz BGNJMRZDNYPETH-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855830 663694055 /nfs/dbraw/zinc/69/40/55/663694055.db2.gz RMDYUEVUABCOOW-ONGXEEELSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855830 663694057 /nfs/dbraw/zinc/69/40/57/663694057.db2.gz RMDYUEVUABCOOW-ONGXEEELSA-N 1 1 322.369 -1.288 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)c2nnn(C)n2)CC1 ZINC001005834499 663694107 /nfs/dbraw/zinc/69/41/07/663694107.db2.gz XWMLWDYUUILBMT-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852438 663694133 /nfs/dbraw/zinc/69/41/33/663694133.db2.gz MREVHQWXWZBNFP-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852438 663694135 /nfs/dbraw/zinc/69/41/35/663694135.db2.gz MREVHQWXWZBNFP-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849111 663694278 /nfs/dbraw/zinc/69/42/78/663694278.db2.gz CPTNZVFJPFVHBJ-CABZTGNLSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849111 663694280 /nfs/dbraw/zinc/69/42/80/663694280.db2.gz CPTNZVFJPFVHBJ-CABZTGNLSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852434 663694351 /nfs/dbraw/zinc/69/43/51/663694351.db2.gz MREVHQWXWZBNFP-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852434 663694352 /nfs/dbraw/zinc/69/43/52/663694352.db2.gz MREVHQWXWZBNFP-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)CC[C@@H]21 ZINC001036685197 663694587 /nfs/dbraw/zinc/69/45/87/663694587.db2.gz TYHIXWHGGGLXRH-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)CC[C@H]21 ZINC001036690842 663694845 /nfs/dbraw/zinc/69/48/45/663694845.db2.gz GLVYEYYXVKYJBX-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005914890 663694940 /nfs/dbraw/zinc/69/49/40/663694940.db2.gz SLCIOPSXBQQPSF-GFCCVEGCSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005914895 663695084 /nfs/dbraw/zinc/69/50/84/663695084.db2.gz SLCIOPSXBQQPSF-LBPRGKRZSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]21 ZINC001036690840 663695123 /nfs/dbraw/zinc/69/51/23/663695123.db2.gz GLVYEYYXVKYJBX-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)C1 ZINC001036699234 663695502 /nfs/dbraw/zinc/69/55/02/663695502.db2.gz LVNKMYVMHJKDKX-YPMHNXCESA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001006009121 663695700 /nfs/dbraw/zinc/69/57/00/663695700.db2.gz WCUGQDPBRWLVIB-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cc(CCN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000923434127 663696889 /nfs/dbraw/zinc/69/68/89/663696889.db2.gz PRHIQHYJDHDLQB-UHFFFAOYSA-N 1 1 313.427 -1.118 20 0 DAADMO Cc1nonc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437799 663696914 /nfs/dbraw/zinc/69/69/14/663696914.db2.gz ZAGZXQAEAYMTLU-UHFFFAOYSA-N 1 1 301.372 -1.203 20 0 DAADMO Cn1nccc1CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437554 663697185 /nfs/dbraw/zinc/69/71/85/663697185.db2.gz UHFXSAASWWGAAY-UHFFFAOYSA-N 1 1 313.427 -1.118 20 0 DAADMO CCCNC(=O)[C@H](C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923430440 663697328 /nfs/dbraw/zinc/69/73/28/663697328.db2.gz JEMGLYQVHZKMOC-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H]1[C@H](NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000923471557 663697550 /nfs/dbraw/zinc/69/75/50/663697550.db2.gz QXFXUMVGMZXTBE-GXSJLCMTSA-N 1 1 319.431 -1.131 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918824 663698705 /nfs/dbraw/zinc/69/87/05/663698705.db2.gz SJFMQDWSHDNKKE-LBPRGKRZSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C([C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)N1CCNCC1 ZINC000923567862 663698732 /nfs/dbraw/zinc/69/87/32/663698732.db2.gz WHUWXJMXSUSZTQ-NSHDSACASA-N 1 1 316.427 -1.568 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000946934429 663699280 /nfs/dbraw/zinc/69/92/80/663699280.db2.gz HVXBRNWADNXXAX-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000946934429 663699284 /nfs/dbraw/zinc/69/92/84/663699284.db2.gz HVXBRNWADNXXAX-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccnn2C)C1 ZINC000804901134 663797062 /nfs/dbraw/zinc/79/70/62/663797062.db2.gz QXZJFDLUZFACBY-LBPRGKRZSA-N 1 1 323.397 -1.084 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCC[S@](C)=O)CC1 ZINC000745488320 663797943 /nfs/dbraw/zinc/79/79/43/663797943.db2.gz GOSAKFLFHXHCOS-FQEVSTJZSA-N 1 1 304.416 -1.172 20 0 DAADMO Cn1c(N)c(C(=O)C[NH2+]C2(C(N)=O)CCCC2)c(=O)n(C)c1=O ZINC000746474820 663799343 /nfs/dbraw/zinc/79/93/43/663799343.db2.gz BKUZZTAIWRVDAI-UHFFFAOYSA-N 1 1 323.353 -1.763 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747231329 663800096 /nfs/dbraw/zinc/80/00/96/663800096.db2.gz IFRFKTMZWILQTE-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000748039018 663800168 /nfs/dbraw/zinc/80/01/68/663800168.db2.gz HLNHLIDHXGYARD-PHIMTYICSA-N 1 1 301.343 -1.676 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000748039018 663800170 /nfs/dbraw/zinc/80/01/70/663800170.db2.gz HLNHLIDHXGYARD-PHIMTYICSA-N 1 1 301.343 -1.676 20 0 DAADMO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000751419821 663802625 /nfs/dbraw/zinc/80/26/25/663802625.db2.gz XQJHOKHNBJGXDZ-CYBMUJFWSA-N 1 1 319.427 -1.048 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000751433148 663802887 /nfs/dbraw/zinc/80/28/87/663802887.db2.gz UBTLHLOKIBWLTB-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000751746349 663802910 /nfs/dbraw/zinc/80/29/10/663802910.db2.gz SBEBHWRLXROFCD-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000751433149 663803178 /nfs/dbraw/zinc/80/31/78/663803178.db2.gz UBTLHLOKIBWLTB-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO COC(C[N@H+](CCCO)Cc1cc(=O)n(C)c(=O)n1C)OC ZINC000759870390 663809108 /nfs/dbraw/zinc/80/91/08/663809108.db2.gz QXYWEYMHKYUZRW-UHFFFAOYSA-N 1 1 315.370 -1.113 20 0 DAADMO COC(C[N@@H+](CCCO)Cc1cc(=O)n(C)c(=O)n1C)OC ZINC000759870390 663809110 /nfs/dbraw/zinc/80/91/10/663809110.db2.gz QXYWEYMHKYUZRW-UHFFFAOYSA-N 1 1 315.370 -1.113 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=S)NCC(N)=O)CC1 ZINC000760290502 663809417 /nfs/dbraw/zinc/80/94/17/663809417.db2.gz AAXNLAQJXUGMTP-UHFFFAOYSA-N 1 1 301.416 -1.558 20 0 DAADMO CS(=O)(=O)CCOCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764362687 663811727 /nfs/dbraw/zinc/81/17/27/663811727.db2.gz NMLYDNXMCWWBOZ-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000766145443 663813935 /nfs/dbraw/zinc/81/39/35/663813935.db2.gz ZYPVXCILXLSKHR-NSHDSACASA-N 1 1 304.416 -1.487 20 0 DAADMO CC[N@@H+](CCO)CCNC(=S)NCCNS(C)(=O)=O ZINC000768787728 663815178 /nfs/dbraw/zinc/81/51/78/663815178.db2.gz FVJRTINUIOSMBE-UHFFFAOYSA-N 1 1 312.461 -1.686 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000770237159 663816390 /nfs/dbraw/zinc/81/63/90/663816390.db2.gz SJBMFGWIFXVFLQ-ONGXEEELSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000770237159 663816394 /nfs/dbraw/zinc/81/63/94/663816394.db2.gz SJBMFGWIFXVFLQ-ONGXEEELSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[N@H+](C)CCO1 ZINC000770237149 663816625 /nfs/dbraw/zinc/81/66/25/663816625.db2.gz SJBMFGWIFXVFLQ-GXSJLCMTSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000770237149 663816626 /nfs/dbraw/zinc/81/66/26/663816626.db2.gz SJBMFGWIFXVFLQ-GXSJLCMTSA-N 1 1 310.354 -1.467 20 0 DAADMO Cn1cc([C@H](O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000773953499 663820255 /nfs/dbraw/zinc/82/02/55/663820255.db2.gz OFUBBNNJYJZTCG-ZDUSSCGKSA-N 1 1 309.370 -1.266 20 0 DAADMO O=C(NCCn1ccnc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775098977 663821654 /nfs/dbraw/zinc/82/16/54/663821654.db2.gz IUVQCCLNILJXAU-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[N@@H+]1CCO ZINC000777500111 663822078 /nfs/dbraw/zinc/82/20/78/663822078.db2.gz WJQLOLXHQPDJQM-SNVBAGLBSA-N 1 1 324.472 -1.592 20 0 DAADMO C[C@@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[N@H+]1CCO ZINC000777500111 663822080 /nfs/dbraw/zinc/82/20/80/663822080.db2.gz WJQLOLXHQPDJQM-SNVBAGLBSA-N 1 1 324.472 -1.592 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1CCO ZINC000779125983 663823905 /nfs/dbraw/zinc/82/39/05/663823905.db2.gz DODWLDSUTKPWHC-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000779125983 663823908 /nfs/dbraw/zinc/82/39/08/663823908.db2.gz DODWLDSUTKPWHC-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@H]4C[C@@]4(CO)C3)c2c(=O)n(C)c1=O ZINC000782614732 663826390 /nfs/dbraw/zinc/82/63/90/663826390.db2.gz DLRDRMNJGNQQGP-BMIGLBTASA-N 1 1 319.365 -1.252 20 0 DAADMO CNS(=O)(=O)CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000783954682 663827757 /nfs/dbraw/zinc/82/77/57/663827757.db2.gz YUVSTIYQABYJLZ-UHFFFAOYSA-N 1 1 324.472 -1.278 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCS(C)(=O)=O ZINC000788391515 663831527 /nfs/dbraw/zinc/83/15/27/663831527.db2.gz NVIZYVHFYFTYKS-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000788383757 663831559 /nfs/dbraw/zinc/83/15/59/663831559.db2.gz DQEDCQACKARTIF-LLVKDONJSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000788383757 663831561 /nfs/dbraw/zinc/83/15/61/663831561.db2.gz DQEDCQACKARTIF-LLVKDONJSA-N 1 1 317.411 -1.252 20 0 DAADMO CCCC[N@H+](C)CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788386026 663831755 /nfs/dbraw/zinc/83/17/55/663831755.db2.gz VVWOBXHKKFDWKV-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788386026 663831758 /nfs/dbraw/zinc/83/17/58/663831758.db2.gz VVWOBXHKKFDWKV-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)NCCS(C)(=O)=O)C1CC1 ZINC000788399253 663832048 /nfs/dbraw/zinc/83/20/48/663832048.db2.gz XANQYAQGTUFZNO-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCS(C)(=O)=O)C1CC1 ZINC000788399253 663832050 /nfs/dbraw/zinc/83/20/50/663832050.db2.gz XANQYAQGTUFZNO-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790272845 663832597 /nfs/dbraw/zinc/83/25/97/663832597.db2.gz GUSJZKUAGRDWBH-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC000790154880 663832726 /nfs/dbraw/zinc/83/27/26/663832726.db2.gz YGYRFUIBIUTREB-JTQLQIEISA-N 1 1 324.389 -1.266 20 0 DAADMO O=C(NCCn1cccn1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793745030 663835341 /nfs/dbraw/zinc/83/53/41/663835341.db2.gz JGGHRUMZRQELBD-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(NCCn1cccn1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793745019 663835444 /nfs/dbraw/zinc/83/54/44/663835444.db2.gz JGGHRUMZRQELBD-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000793876518 663835521 /nfs/dbraw/zinc/83/55/21/663835521.db2.gz XIQAVYXQVQTQGQ-QWRGUYRKSA-N 1 1 324.381 -1.389 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 ZINC001036738713 663841569 /nfs/dbraw/zinc/84/15/69/663841569.db2.gz MJCBEMVUZSDVHJ-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 ZINC001036758886 663841814 /nfs/dbraw/zinc/84/18/14/663841814.db2.gz BTMZLJUGQKXWCI-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036791552 663841843 /nfs/dbraw/zinc/84/18/43/663841843.db2.gz AUWSJEBALJQMPU-OLZOCXBDSA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036792192 663841885 /nfs/dbraw/zinc/84/18/85/663841885.db2.gz LOGVFBHMGTYWMX-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036764224 663841897 /nfs/dbraw/zinc/84/18/97/663841897.db2.gz NGUSIMKIEBIAIB-NWDGAFQWSA-N 1 1 322.365 -1.136 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036792432 663842026 /nfs/dbraw/zinc/84/20/26/663842026.db2.gz PBMGMQGLRNLHCC-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCN2C(=O)CCC2=O)C1 ZINC001036807526 663842109 /nfs/dbraw/zinc/84/21/09/663842109.db2.gz DNXBKDSIDPNMBO-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001036794544 663842225 /nfs/dbraw/zinc/84/22/25/663842225.db2.gz XBQPVSDTOYCPTJ-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCN2C(=O)CCC2=O)C1 ZINC001036807525 663842279 /nfs/dbraw/zinc/84/22/79/663842279.db2.gz DNXBKDSIDPNMBO-QWRGUYRKSA-N 1 1 322.365 -1.457 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)ncc1=O ZINC001036776676 663842311 /nfs/dbraw/zinc/84/23/11/663842311.db2.gz OKMQBOZHCACCHQ-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@H]21 ZINC001036758884 663842333 /nfs/dbraw/zinc/84/23/33/663842333.db2.gz BTMZLJUGQKXWCI-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036843146 663842588 /nfs/dbraw/zinc/84/25/88/663842588.db2.gz ANJDYIAOFISNTP-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 ZINC001036843768 663842823 /nfs/dbraw/zinc/84/28/23/663842823.db2.gz LJZQNIDJXGYXIT-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 ZINC001036842577 663842832 /nfs/dbraw/zinc/84/28/32/663842832.db2.gz RSYROPYFFRFMPR-MWLCHTKSSA-N 1 1 322.365 -1.553 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]21 ZINC001036852583 663842862 /nfs/dbraw/zinc/84/28/62/663842862.db2.gz GHXISJQGNYAVHZ-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036805832 663842875 /nfs/dbraw/zinc/84/28/75/663842875.db2.gz FXOZCWSRVROICI-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO CCCn1nnnc1C[N@@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805753 663842885 /nfs/dbraw/zinc/84/28/85/663842885.db2.gz FBJDWXYVFRWQBA-QWRGUYRKSA-N 1 1 321.385 -1.009 20 0 DAADMO CCCn1nnnc1C[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805753 663842888 /nfs/dbraw/zinc/84/28/88/663842888.db2.gz FBJDWXYVFRWQBA-QWRGUYRKSA-N 1 1 321.385 -1.009 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036841857 663842914 /nfs/dbraw/zinc/84/29/14/663842914.db2.gz GOFDVCXVULSKDU-PWSUYJOCSA-N 1 1 309.366 -1.046 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805952 663842956 /nfs/dbraw/zinc/84/29/56/663842956.db2.gz IBLKOVZNMATTQJ-UWVGGRQHSA-N 1 1 303.384 -1.561 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036805831 663842986 /nfs/dbraw/zinc/84/29/86/663842986.db2.gz FXOZCWSRVROICI-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036863163 663843041 /nfs/dbraw/zinc/84/30/41/663843041.db2.gz BVNXUYLDPYPKRI-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@H]21 ZINC001036886964 663843495 /nfs/dbraw/zinc/84/34/95/663843495.db2.gz KFBNJCFUHSVYPI-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)CC[C@H]21 ZINC001036886966 663843690 /nfs/dbraw/zinc/84/36/90/663843690.db2.gz KFBNJCFUHSVYPI-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@@H]21 ZINC001036886965 663843750 /nfs/dbraw/zinc/84/37/50/663843750.db2.gz KFBNJCFUHSVYPI-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000804030796 663844055 /nfs/dbraw/zinc/84/40/55/663844055.db2.gz NFGJVWWAJAILMH-SNVBAGLBSA-N 1 1 307.354 -1.003 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)C1=O ZINC001036888763 663844142 /nfs/dbraw/zinc/84/41/42/663844142.db2.gz OVLJPLNQVVMOCE-NEPJUHHUSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036888240 663844188 /nfs/dbraw/zinc/84/41/88/663844188.db2.gz FVQKASQLAUJWQZ-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)C1=O ZINC001036888764 663844218 /nfs/dbraw/zinc/84/42/18/663844218.db2.gz OVLJPLNQVVMOCE-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 ZINC001036888125 663844257 /nfs/dbraw/zinc/84/42/57/663844257.db2.gz DLJDRYPOVMPIEH-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000804084041 663845009 /nfs/dbraw/zinc/84/50/09/663845009.db2.gz KLLODLYHAJFAGF-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNC(=O)C1 ZINC000804056556 663845062 /nfs/dbraw/zinc/84/50/62/663845062.db2.gz RUQVGXOIGUEITG-GHMZBOCLSA-N 1 1 310.354 -2.076 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057570 663845139 /nfs/dbraw/zinc/84/51/39/663845139.db2.gz ATWLROANLCEJLF-WDEREUQCSA-N 1 1 323.353 -1.026 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000806776393 663845468 /nfs/dbraw/zinc/84/54/68/663845468.db2.gz SUQSDRFLWDBNQK-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO C[NH+](C)C1(CNC(=O)C(=O)NCCS(C)(=O)=O)CCC1 ZINC000807025597 663846378 /nfs/dbraw/zinc/84/63/78/663846378.db2.gz XBGNMVHGQSFENV-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO CN1CCN(C(=O)C[NH2+]C2(CO)COC(C)(C)OC2)CC1 ZINC000812837114 663850214 /nfs/dbraw/zinc/85/02/14/663850214.db2.gz AQNMIUFWDCJJBT-UHFFFAOYSA-N 1 1 301.387 -1.136 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000812840883 663850402 /nfs/dbraw/zinc/85/04/02/663850402.db2.gz LFOBKMYWCSVYEM-VIFPVBQESA-N 1 1 304.372 -1.690 20 0 DAADMO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000820272558 663857337 /nfs/dbraw/zinc/85/73/37/663857337.db2.gz MXHAHDUKXKDCPV-LPEHRKFASA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000820272558 663857342 /nfs/dbraw/zinc/85/73/42/663857342.db2.gz MXHAHDUKXKDCPV-LPEHRKFASA-N 1 1 301.368 -1.938 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000820729192 663858742 /nfs/dbraw/zinc/85/87/42/663858742.db2.gz VICDDPNMQFVKDZ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000820729192 663858745 /nfs/dbraw/zinc/85/87/45/663858745.db2.gz VICDDPNMQFVKDZ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000823132745 663862462 /nfs/dbraw/zinc/86/24/62/663862462.db2.gz HRRNZFFQWIRLSI-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO COC1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CS(=O)(=O)C1 ZINC000823193667 663862755 /nfs/dbraw/zinc/86/27/55/663862755.db2.gz XDEHPAAECPHQAT-LLVKDONJSA-N 1 1 320.411 -1.237 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000824664966 663862965 /nfs/dbraw/zinc/86/29/65/663862965.db2.gz DWAXMYXTNFJHOQ-KGLIPLIRSA-N 1 1 320.397 -1.105 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000824658043 663863226 /nfs/dbraw/zinc/86/32/26/663863226.db2.gz HYJXILZDYUKNDH-ZJUUUORDSA-N 1 1 317.411 -1.111 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000824658043 663863228 /nfs/dbraw/zinc/86/32/28/663863228.db2.gz HYJXILZDYUKNDH-ZJUUUORDSA-N 1 1 317.411 -1.111 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000824740065 663863514 /nfs/dbraw/zinc/86/35/14/663863514.db2.gz BNQFUJDPHUFJLV-QWRGUYRKSA-N 1 1 320.415 -1.638 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1cnn(C)n1 ZINC000825291937 663863998 /nfs/dbraw/zinc/86/39/98/663863998.db2.gz CSKWQMGBIIULFB-UHFFFAOYSA-N 1 1 308.386 -1.020 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC000825298234 663864241 /nfs/dbraw/zinc/86/42/41/663864241.db2.gz MGLDBWPIJXBIML-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000827318082 663867659 /nfs/dbraw/zinc/86/76/59/663867659.db2.gz DRNAXDVLZBVMQC-UWVGGRQHSA-N 1 1 308.338 -1.040 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@@H]1CO ZINC000827983606 663868552 /nfs/dbraw/zinc/86/85/52/663868552.db2.gz OGMUVXKBOWSPRT-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@@H]1CO ZINC000827983606 663868556 /nfs/dbraw/zinc/86/85/56/663868556.db2.gz OGMUVXKBOWSPRT-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1=O ZINC000827983855 663868636 /nfs/dbraw/zinc/86/86/36/663868636.db2.gz WGNMKEWINWAXQR-LLVKDONJSA-N 1 1 323.349 -1.230 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1=O ZINC000827983855 663868638 /nfs/dbraw/zinc/86/86/38/663868638.db2.gz WGNMKEWINWAXQR-LLVKDONJSA-N 1 1 323.349 -1.230 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCN(C2CC2)C1=O ZINC000827578006 663868652 /nfs/dbraw/zinc/86/86/52/663868652.db2.gz QKVSPUKFCVPHDL-IUODEOHRSA-N 1 1 311.382 -1.146 20 0 DAADMO CCN(OC)C(=O)CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000828197936 663869058 /nfs/dbraw/zinc/86/90/58/663869058.db2.gz BVUOUIFERLPONF-LLVKDONJSA-N 1 1 300.359 -1.143 20 0 DAADMO CCN(OC)C(=O)CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000828197936 663869060 /nfs/dbraw/zinc/86/90/60/663869060.db2.gz BVUOUIFERLPONF-LLVKDONJSA-N 1 1 300.359 -1.143 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCC1(C)C ZINC000828300595 663869707 /nfs/dbraw/zinc/86/97/07/663869707.db2.gz YXFIPGGJFIUUTK-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCC1(C)C ZINC000828300595 663869710 /nfs/dbraw/zinc/86/97/10/663869710.db2.gz YXFIPGGJFIUUTK-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000828958245 663870254 /nfs/dbraw/zinc/87/02/54/663870254.db2.gz BIVATKNKZXTXPP-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000828958249 663870397 /nfs/dbraw/zinc/87/03/97/663870397.db2.gz BIVATKNKZXTXPP-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961361 663870510 /nfs/dbraw/zinc/87/05/10/663870510.db2.gz WGZCXKFQRKEOFV-DCAQKATOSA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961361 663870512 /nfs/dbraw/zinc/87/05/12/663870512.db2.gz WGZCXKFQRKEOFV-DCAQKATOSA-N 1 1 315.395 -1.405 20 0 DAADMO COC(=O)[C@H]1CN(C(=S)NCC(=O)N(C)C)CC[N@@H+](C)C1 ZINC000840857727 663876328 /nfs/dbraw/zinc/87/63/28/663876328.db2.gz SRHQNGNAASRNNN-SNVBAGLBSA-N 1 1 316.427 -1.014 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163899 663876667 /nfs/dbraw/zinc/87/66/67/663876667.db2.gz ALCMVLBGMGVJHQ-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163899 663876668 /nfs/dbraw/zinc/87/66/68/663876668.db2.gz ALCMVLBGMGVJHQ-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164745 663877112 /nfs/dbraw/zinc/87/71/12/663877112.db2.gz NZJATXPEHKTLQH-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164745 663877113 /nfs/dbraw/zinc/87/71/13/663877113.db2.gz NZJATXPEHKTLQH-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO CCON(C)C(=O)CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845554759 663884266 /nfs/dbraw/zinc/88/42/66/663884266.db2.gz BDEHCCYXVMFZOC-LLVKDONJSA-N 1 1 300.359 -1.143 20 0 DAADMO CCON(C)C(=O)CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845554759 663884269 /nfs/dbraw/zinc/88/42/69/663884269.db2.gz BDEHCCYXVMFZOC-LLVKDONJSA-N 1 1 300.359 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC[C@H]21 ZINC000867426181 663887487 /nfs/dbraw/zinc/88/74/87/663887487.db2.gz KWEPQFRPXQSQDX-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846633978 663887795 /nfs/dbraw/zinc/88/77/95/663887795.db2.gz XDPSROXLPDHJSX-NXEZZACHSA-N 1 1 306.388 -1.980 20 0 DAADMO [NH3+]CC(F)(F)CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000846671096 663888120 /nfs/dbraw/zinc/88/81/20/663888120.db2.gz YJWIMYHZYLMWKW-UHFFFAOYSA-N 1 1 315.342 -1.251 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(=O)n1C ZINC000847406524 663889341 /nfs/dbraw/zinc/88/93/41/663889341.db2.gz CUSXIMMUHBOWAU-VXGBXAGGSA-N 1 1 309.370 -1.130 20 0 DAADMO CCN(OC)C(=O)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847390103 663889646 /nfs/dbraw/zinc/88/96/46/663889646.db2.gz SCFNKPQQMFQVJC-WDEREUQCSA-N 1 1 300.359 -1.143 20 0 DAADMO NC(=O)[C@](O)(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000851881401 663897045 /nfs/dbraw/zinc/89/70/45/663897045.db2.gz LDVZRVKVPYPLTC-NHYWBVRUSA-N 1 1 318.333 -1.405 20 0 DAADMO NC(=O)[C@](O)(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000851881401 663897049 /nfs/dbraw/zinc/89/70/49/663897049.db2.gz LDVZRVKVPYPLTC-NHYWBVRUSA-N 1 1 318.333 -1.405 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921260 663897176 /nfs/dbraw/zinc/89/71/76/663897176.db2.gz ZOYRQTYURVVZPQ-SWLSCSKDSA-N 1 1 307.350 -1.194 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921260 663897178 /nfs/dbraw/zinc/89/71/78/663897178.db2.gz ZOYRQTYURVVZPQ-SWLSCSKDSA-N 1 1 307.350 -1.194 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000852149456 663897780 /nfs/dbraw/zinc/89/77/80/663897780.db2.gz QFNBOFXKISYSHW-IUODEOHRSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000852149456 663897781 /nfs/dbraw/zinc/89/77/81/663897781.db2.gz QFNBOFXKISYSHW-IUODEOHRSA-N 1 1 307.350 -1.064 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000852593451 663897803 /nfs/dbraw/zinc/89/78/03/663897803.db2.gz KPLHRVVQSLXNHG-QEYWKRMJSA-N 1 1 302.352 -1.465 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000852593451 663897805 /nfs/dbraw/zinc/89/78/05/663897805.db2.gz KPLHRVVQSLXNHG-QEYWKRMJSA-N 1 1 302.352 -1.465 20 0 DAADMO NC(=O)C[C@H]1COCC[N@@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149458 663898028 /nfs/dbraw/zinc/89/80/28/663898028.db2.gz QFNBOFXKISYSHW-WFASDCNBSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@H]1COCC[N@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149458 663898031 /nfs/dbraw/zinc/89/80/31/663898031.db2.gz QFNBOFXKISYSHW-WFASDCNBSA-N 1 1 307.350 -1.064 20 0 DAADMO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)=NO1 ZINC000852793457 663898608 /nfs/dbraw/zinc/89/86/08/663898608.db2.gz BJBDOQJPIOCNDI-NWDGAFQWSA-N 1 1 323.397 -1.240 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCN(C)OC)CC1 ZINC000853380535 663900444 /nfs/dbraw/zinc/90/04/44/663900444.db2.gz XAYGTBUFKXOEFD-UHFFFAOYSA-N 1 1 301.391 -1.011 20 0 DAADMO CON(C)C(=O)[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000858210263 663908885 /nfs/dbraw/zinc/90/88/85/663908885.db2.gz KPDSOPDDMFAZGA-WDEREUQCSA-N 1 1 301.391 -1.060 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000859453696 663912334 /nfs/dbraw/zinc/91/23/34/663912334.db2.gz UZSYEVKWUUYDFX-SRVKXCTJSA-N 1 1 315.370 -1.287 20 0 DAADMO NC(=O)C[C@@H]1C[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011175 663914277 /nfs/dbraw/zinc/91/42/77/663914277.db2.gz XDDVBUPOPIFHBR-DOMZBBRYSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011175 663914278 /nfs/dbraw/zinc/91/42/78/663914278.db2.gz XDDVBUPOPIFHBR-DOMZBBRYSA-N 1 1 307.350 -1.064 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861718740 663917526 /nfs/dbraw/zinc/91/75/26/663917526.db2.gz ZDICQHNNQFEUNM-UTUOFQBUSA-N 1 1 300.355 -1.032 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861718743 663917872 /nfs/dbraw/zinc/91/78/72/663917872.db2.gz ZDICQHNNQFEUNM-WOPDTQHZSA-N 1 1 300.355 -1.032 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000863831272 663927159 /nfs/dbraw/zinc/92/71/59/663927159.db2.gz GWFXJNFLRYFIOG-JQWIXIFHSA-N 1 1 307.354 -1.055 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350269 663928944 /nfs/dbraw/zinc/92/89/44/663928944.db2.gz FXEHGPSWSZBPIB-HZMBPMFUSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350269 663928945 /nfs/dbraw/zinc/92/89/45/663928945.db2.gz FXEHGPSWSZBPIB-HZMBPMFUSA-N 1 1 314.338 -1.240 20 0 DAADMO CN1C(=O)[C@H]2C[N@H+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@H]2C1=O ZINC000864351854 663929494 /nfs/dbraw/zinc/92/94/94/663929494.db2.gz QAZKHRAJEIIINR-KXUCPTDWSA-N 1 1 309.322 -1.957 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000867625464 663932573 /nfs/dbraw/zinc/93/25/73/663932573.db2.gz JCUOUNHHCQPBHF-NEPJUHHUSA-N 1 1 308.382 -1.160 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000867625475 663932681 /nfs/dbraw/zinc/93/26/81/663932681.db2.gz JCUOUNHHCQPBHF-VXGBXAGGSA-N 1 1 308.382 -1.160 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N2)CC1=O ZINC000868386508 663934068 /nfs/dbraw/zinc/93/40/68/663934068.db2.gz GKBSUVXTIZPRBE-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000868419061 663934123 /nfs/dbraw/zinc/93/41/23/663934123.db2.gz UJKSOSVKVFCCNB-DGAVXFQQSA-N 1 1 322.409 -1.383 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000868285802 663934130 /nfs/dbraw/zinc/93/41/30/663934130.db2.gz KUQPMPWGBUXGJA-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000868424031 663934871 /nfs/dbraw/zinc/93/48/71/663934871.db2.gz WHVNQFFXBDQDQQ-WISYIIOYSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000868424031 663934874 /nfs/dbraw/zinc/93/48/74/663934874.db2.gz WHVNQFFXBDQDQQ-WISYIIOYSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000923618844 663937064 /nfs/dbraw/zinc/93/70/64/663937064.db2.gz VWXKVAFCJUVGBE-GFCCVEGCSA-N 1 1 305.448 -1.638 20 0 DAADMO O=S(=O)(N1CCC[C@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000923621845 663937787 /nfs/dbraw/zinc/93/77/87/663937787.db2.gz QONXLIQZDKFQOE-ZDUSSCGKSA-N 1 1 318.443 -1.067 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000923631193 663938802 /nfs/dbraw/zinc/93/88/02/663938802.db2.gz JCHYDBHRTYXHED-GFCCVEGCSA-N 1 1 304.416 -1.457 20 0 DAADMO COC[C@@]1(C)NC(=O)N(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714068 663940175 /nfs/dbraw/zinc/94/01/75/663940175.db2.gz LERDEMJVPWAIET-TVLCNXBWSA-N 1 1 324.337 -1.553 20 0 DAADMO COC[C@@]1(C)NC(=O)N(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714068 663940179 /nfs/dbraw/zinc/94/01/79/663940179.db2.gz LERDEMJVPWAIET-TVLCNXBWSA-N 1 1 324.337 -1.553 20 0 DAADMO O=S(=O)(N1CCOCC1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872615821 663940632 /nfs/dbraw/zinc/94/06/32/663940632.db2.gz POCNWLJYCYCFTD-NWDGAFQWSA-N 1 1 305.400 -1.296 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000875068990 663942929 /nfs/dbraw/zinc/94/29/29/663942929.db2.gz SQNWQZDGXYCNJW-VXGBXAGGSA-N 1 1 324.381 -1.035 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000875399573 663944322 /nfs/dbraw/zinc/94/43/22/663944322.db2.gz BORGZBCIZGBBHA-NXEZZACHSA-N 1 1 301.343 -1.365 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000875399573 663944328 /nfs/dbraw/zinc/94/43/28/663944328.db2.gz BORGZBCIZGBBHA-NXEZZACHSA-N 1 1 301.343 -1.365 20 0 DAADMO CON(C)C(=O)[C@@H](C)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000875907083 663945148 /nfs/dbraw/zinc/94/51/48/663945148.db2.gz RZFCGDAKYJSMTL-MWLCHTKSSA-N 1 1 300.359 -1.145 20 0 DAADMO CON(C)C(=O)[C@@H](C)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000875907083 663945150 /nfs/dbraw/zinc/94/51/50/663945150.db2.gz RZFCGDAKYJSMTL-MWLCHTKSSA-N 1 1 300.359 -1.145 20 0 DAADMO COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CNCCO1 ZINC000876743288 663947103 /nfs/dbraw/zinc/94/71/03/663947103.db2.gz BBLXGONGXQYYFK-IPYPFGDCSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CNCCO1 ZINC000876743288 663947106 /nfs/dbraw/zinc/94/71/06/663947106.db2.gz BBLXGONGXQYYFK-IPYPFGDCSA-N 1 1 313.398 -1.029 20 0 DAADMO COCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000876754061 663947500 /nfs/dbraw/zinc/94/75/00/663947500.db2.gz AXMHGFYQPWSJLL-TZMCWYRMSA-N 1 1 301.387 -1.172 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000876754061 663947505 /nfs/dbraw/zinc/94/75/05/663947505.db2.gz AXMHGFYQPWSJLL-TZMCWYRMSA-N 1 1 301.387 -1.172 20 0 DAADMO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCNCC1=O ZINC000876745067 663947681 /nfs/dbraw/zinc/94/76/81/663947681.db2.gz YPZKOZZVQAMALP-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(CN1CCOC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000876808295 663948251 /nfs/dbraw/zinc/94/82/51/663948251.db2.gz HCEVARVQIOAALO-NSHDSACASA-N 1 1 310.354 -1.139 20 0 DAADMO CC[NH+]1CCN(CCNC(=O)[C@@]2(COC)CNCCO2)CC1 ZINC000876780062 663948556 /nfs/dbraw/zinc/94/85/56/663948556.db2.gz BRXFURGCZQXMJF-HNNXBMFYSA-N 1 1 314.430 -1.255 20 0 DAADMO O=C(N1CCNCC1)N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000876995346 663949495 /nfs/dbraw/zinc/94/94/95/663949495.db2.gz RYHKQPBXOZDHTI-AWEZNQCLSA-N 1 1 313.377 -1.143 20 0 DAADMO O=C(NC[C@]12COCCN1C(=O)COC2)[C@@H]1CSC[NH2+]1 ZINC000877248980 663950391 /nfs/dbraw/zinc/95/03/91/663950391.db2.gz SASCGACAYICVIC-JOYOIKCWSA-N 1 1 301.368 -1.607 20 0 DAADMO O=S(=O)(NC[C@@H]1COCC[NH2+]1)c1cnn2c1OCCC2 ZINC000923664647 663950856 /nfs/dbraw/zinc/95/08/56/663950856.db2.gz ZNKJSEVSZPKUBK-SECBINFHSA-N 1 1 302.356 -1.068 20 0 DAADMO O[C@@H]1CN(CC(C[N@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)C[C@@H]1O ZINC000878159586 663951115 /nfs/dbraw/zinc/95/11/15/663951115.db2.gz ZCJJQKKYZNAOSE-GEEKYZPCSA-N 1 1 314.426 -1.132 20 0 DAADMO O[C@@H]1CN(CC(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)C[C@@H]1O ZINC000878159586 663951118 /nfs/dbraw/zinc/95/11/18/663951118.db2.gz ZCJJQKKYZNAOSE-GEEKYZPCSA-N 1 1 314.426 -1.132 20 0 DAADMO NC(=O)[C@H](F)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000879049149 663952735 /nfs/dbraw/zinc/95/27/35/663952735.db2.gz AVAHBTJAXJQLLI-GFCCVEGCSA-N 1 1 300.334 -1.520 20 0 DAADMO NC(=O)[C@@H](F)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000879049153 663953012 /nfs/dbraw/zinc/95/30/12/663953012.db2.gz AVAHBTJAXJQLLI-LBPRGKRZSA-N 1 1 300.334 -1.520 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC000878810043 663953144 /nfs/dbraw/zinc/95/31/44/663953144.db2.gz RPOJSMSFPAUSAZ-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO O=C1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352766 663953315 /nfs/dbraw/zinc/95/33/15/663953315.db2.gz CGPIGPRUUFJTNB-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352766 663953317 /nfs/dbraw/zinc/95/33/17/663953317.db2.gz CGPIGPRUUFJTNB-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352766 663953319 /nfs/dbraw/zinc/95/33/19/663953319.db2.gz CGPIGPRUUFJTNB-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352766 663953321 /nfs/dbraw/zinc/95/33/21/663953321.db2.gz CGPIGPRUUFJTNB-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1nnn(C)n1 ZINC000878619578 663953351 /nfs/dbraw/zinc/95/33/51/663953351.db2.gz XSJIYSYRINLMJL-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO NC(=O)[C@@H](C1CC1)[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC000879492181 663953711 /nfs/dbraw/zinc/95/37/11/663953711.db2.gz DUGUIRVMQXXTDS-CQSZACIVSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H](C1CC1)[N@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC000879492181 663953714 /nfs/dbraw/zinc/95/37/14/663953714.db2.gz DUGUIRVMQXXTDS-CQSZACIVSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[N@@H+]1CCO ZINC000879568792 663954288 /nfs/dbraw/zinc/95/42/88/663954288.db2.gz ZAELDWZHKHCIFF-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[N@H+]1CCO ZINC000879568792 663954292 /nfs/dbraw/zinc/95/42/92/663954292.db2.gz ZAELDWZHKHCIFF-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535664 663954725 /nfs/dbraw/zinc/95/47/25/663954725.db2.gz QPRODLKRPGWQIE-WHOHXGKFSA-N 1 1 300.355 -1.055 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879535829 663954778 /nfs/dbraw/zinc/95/47/78/663954778.db2.gz SXAWCGUCVFEUOZ-AXFHLTTASA-N 1 1 323.349 -1.303 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726057 663955124 /nfs/dbraw/zinc/95/51/24/663955124.db2.gz TUPPMPLEEVRFOV-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726057 663955126 /nfs/dbraw/zinc/95/51/26/663955126.db2.gz TUPPMPLEEVRFOV-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879725474 663955135 /nfs/dbraw/zinc/95/51/35/663955135.db2.gz NPESWJRUIMNYHJ-IHRRRGAJSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879995468 663955666 /nfs/dbraw/zinc/95/56/66/663955666.db2.gz FETKDSHHQXNDIU-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879725476 663955746 /nfs/dbraw/zinc/95/57/46/663955746.db2.gz NPESWJRUIMNYHJ-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880568266 663956092 /nfs/dbraw/zinc/95/60/92/663956092.db2.gz VPQCUBLLESUXQK-IINYFYTJSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880568266 663956096 /nfs/dbraw/zinc/95/60/96/663956096.db2.gz VPQCUBLLESUXQK-IINYFYTJSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880399350 663956828 /nfs/dbraw/zinc/95/68/28/663956828.db2.gz GLTANOYMQQIEFQ-UHFFFAOYSA-N 1 1 313.354 -1.401 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC(=O)NCC12COC2 ZINC000880399350 663956829 /nfs/dbraw/zinc/95/68/29/663956829.db2.gz GLTANOYMQQIEFQ-UHFFFAOYSA-N 1 1 313.354 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888866650 663957558 /nfs/dbraw/zinc/95/75/58/663957558.db2.gz JDRVZFWAPLTJCQ-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888866650 663957559 /nfs/dbraw/zinc/95/75/59/663957559.db2.gz JDRVZFWAPLTJCQ-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859258 663957760 /nfs/dbraw/zinc/95/77/60/663957760.db2.gz UFLHZXDQZPGCRV-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859258 663957763 /nfs/dbraw/zinc/95/77/63/663957763.db2.gz UFLHZXDQZPGCRV-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1ncnc1C1(O)CN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000882675328 663959774 /nfs/dbraw/zinc/95/97/74/663959774.db2.gz QQVPMEZSODXLEW-UHFFFAOYSA-N 1 1 315.399 -1.258 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000882396152 663959809 /nfs/dbraw/zinc/95/98/09/663959809.db2.gz IWVLLQDEJLCJFE-UHFFFAOYSA-N 1 1 313.445 -1.299 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000882766994 663960816 /nfs/dbraw/zinc/96/08/16/663960816.db2.gz XHZILIYCNIJEFR-SECBINFHSA-N 1 1 316.383 -1.544 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000882766994 663960820 /nfs/dbraw/zinc/96/08/20/663960820.db2.gz XHZILIYCNIJEFR-SECBINFHSA-N 1 1 316.383 -1.544 20 0 DAADMO Cn1c(=O)cc(NCC[N@@H+](C)CCOCCO)n(C)c1=O ZINC000882951063 663960871 /nfs/dbraw/zinc/96/08/71/663960871.db2.gz MVVBEPYOLRUFOD-UHFFFAOYSA-N 1 1 300.359 -1.563 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000882802763 663960945 /nfs/dbraw/zinc/96/09/45/663960945.db2.gz PKMFLQTUVPNLLL-JTQLQIEISA-N 1 1 302.400 -1.686 20 0 DAADMO Cc1nc(S(=O)(=O)NCC[N@H+](C)CCOCCO)cn1C ZINC000882755736 663960959 /nfs/dbraw/zinc/96/09/59/663960959.db2.gz YEEGLZCKUJCFFJ-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1nc(S(=O)(=O)NCC[N@@H+](C)CCOCCO)cn1C ZINC000882755736 663960960 /nfs/dbraw/zinc/96/09/60/663960960.db2.gz YEEGLZCKUJCFFJ-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000883797902 663962153 /nfs/dbraw/zinc/96/21/53/663962153.db2.gz OOLFKXYXPQXHEX-NSHDSACASA-N 1 1 319.431 -1.130 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cc(CN2CCNC(=O)C2)nn1)C1CC1 ZINC000883998180 663962934 /nfs/dbraw/zinc/96/29/34/663962934.db2.gz XMRUKIFGFOXLDW-ZDUSSCGKSA-N 1 1 308.386 -1.335 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000884344417 663963655 /nfs/dbraw/zinc/96/36/55/663963655.db2.gz FPWRHXNQNIJIIS-PWSUYJOCSA-N 1 1 317.411 -1.143 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252502 663964219 /nfs/dbraw/zinc/96/42/19/663964219.db2.gz MEMMNHLHJWWVTB-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722288 663966240 /nfs/dbraw/zinc/96/62/40/663966240.db2.gz PPKSMCKDGJGPCN-IUCAKERBSA-N 1 1 309.313 -1.041 20 0 DAADMO CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722287 663966909 /nfs/dbraw/zinc/96/69/09/663966909.db2.gz PPKSMCKDGJGPCN-DTWKUNHWSA-N 1 1 309.313 -1.041 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)CC[C@@H]21 ZINC000884816195 663967603 /nfs/dbraw/zinc/96/76/03/663967603.db2.gz WEYPVGBONSDKII-AGIUHOORSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)CC[C@@H]21 ZINC000884816195 663967617 /nfs/dbraw/zinc/96/76/17/663967617.db2.gz WEYPVGBONSDKII-AGIUHOORSA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000885302497 663968176 /nfs/dbraw/zinc/96/81/76/663968176.db2.gz XIJVCEMQAUAVDD-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000885302497 663968184 /nfs/dbraw/zinc/96/81/84/663968184.db2.gz XIJVCEMQAUAVDD-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000885302496 663968708 /nfs/dbraw/zinc/96/87/08/663968708.db2.gz XIJVCEMQAUAVDD-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000885302496 663968705 /nfs/dbraw/zinc/96/87/05/663968705.db2.gz XIJVCEMQAUAVDD-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@@H]2C1 ZINC000887303615 663976807 /nfs/dbraw/zinc/97/68/07/663976807.db2.gz YBYKHRDJNWWPKJ-XQQFMLRXSA-N 1 1 309.366 -1.094 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887920531 663976873 /nfs/dbraw/zinc/97/68/73/663976873.db2.gz ALNRDPFEZGJVTH-COPLHBTASA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930142497 663977533 /nfs/dbraw/zinc/97/75/33/663977533.db2.gz ILDQZSZZSWTBGW-NWDGAFQWSA-N 1 1 302.371 -1.586 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743159 663977544 /nfs/dbraw/zinc/97/75/44/663977544.db2.gz DHRGAAKMIUOZCO-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC000889638978 663977835 /nfs/dbraw/zinc/97/78/35/663977835.db2.gz CAKLSESURLRWSZ-HNNXBMFYSA-N 1 1 322.413 -1.263 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770059 663977959 /nfs/dbraw/zinc/97/79/59/663977959.db2.gz PDPKXSRFBAFJFE-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889782578 663978410 /nfs/dbraw/zinc/97/84/10/663978410.db2.gz SBXRPGRFOVNKQA-RYUDHWBXSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[NH+]1CCCCC1 ZINC000930330124 663979931 /nfs/dbraw/zinc/97/99/31/663979931.db2.gz TXRZDSPYRCERLP-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)C(=O)NC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000947002633 663980167 /nfs/dbraw/zinc/98/01/67/663980167.db2.gz LDYGDEXWAKTAIL-NWDGAFQWSA-N 1 1 324.381 -1.558 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3COCCN3C2=O)CC1 ZINC000925280499 663980326 /nfs/dbraw/zinc/98/03/26/663980326.db2.gz YOVNEWQURWIFEB-NSHDSACASA-N 1 1 310.354 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000925400398 663981103 /nfs/dbraw/zinc/98/11/03/663981103.db2.gz QXIUEENEWKUAQP-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000925428766 663981686 /nfs/dbraw/zinc/98/16/86/663981686.db2.gz MIAYNYUHNRRJSI-QWRGUYRKSA-N 1 1 320.415 -1.350 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000925405544 663981791 /nfs/dbraw/zinc/98/17/91/663981791.db2.gz XXAPLILZHSDYGN-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CCN(C2CC2)C1 ZINC000926330971 663981929 /nfs/dbraw/zinc/98/19/29/663981929.db2.gz CZBXYGLWHMZQKG-BBRMVZONSA-N 1 1 324.425 -1.006 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CCN(C2CC2)C1 ZINC000926330980 663982544 /nfs/dbraw/zinc/98/25/44/663982544.db2.gz CZBXYGLWHMZQKG-CJNGLKHVSA-N 1 1 324.425 -1.006 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000926385913 663983007 /nfs/dbraw/zinc/98/30/07/663983007.db2.gz AQQVHPKOSDPVMD-XDQVBPFNSA-N 1 1 324.425 -1.293 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926387985 663983803 /nfs/dbraw/zinc/98/38/03/663983803.db2.gz VUNYYXZMEVFHHD-RFQIPJPRSA-N 1 1 322.409 -1.668 20 0 DAADMO CN1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426940 663984035 /nfs/dbraw/zinc/98/40/35/663984035.db2.gz ATKNTMYPDYRVPG-UMSGYPCISA-N 1 1 310.398 -1.765 20 0 DAADMO CN1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926440524 663984404 /nfs/dbraw/zinc/98/44/04/663984404.db2.gz SAGICOQKJRMQHN-WOSRLPQWSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947032434 663985351 /nfs/dbraw/zinc/98/53/51/663985351.db2.gz OJSUATSHQQBANG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947035562 663985714 /nfs/dbraw/zinc/98/57/14/663985714.db2.gz BYXPGRCKKGVQBW-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1c2ncn(CC(=O)NC[C@@H]3CC[N@H+]3C)c2c(=O)n(C)c1=O ZINC000928573223 663987046 /nfs/dbraw/zinc/98/70/46/663987046.db2.gz NIWORTLMYPYVMF-VIFPVBQESA-N 1 1 320.353 -1.746 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929094635 663987145 /nfs/dbraw/zinc/98/71/45/663987145.db2.gz XMRFGVBJDODCGD-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929281341 663987655 /nfs/dbraw/zinc/98/76/55/663987655.db2.gz KHEPEABLZPIVPM-TZMCWYRMSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929281341 663987659 /nfs/dbraw/zinc/98/76/59/663987659.db2.gz KHEPEABLZPIVPM-TZMCWYRMSA-N 1 1 304.387 -1.075 20 0 DAADMO CN1CC[NH+](CCCNC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC000929422476 663987775 /nfs/dbraw/zinc/98/77/75/663987775.db2.gz TVYHAFUASNHIOW-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000929110839 663987969 /nfs/dbraw/zinc/98/79/69/663987969.db2.gz RCACQRIMLQFQLR-QWHCGFSZSA-N 1 1 301.387 -1.796 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)C1(O)CCOCC1 ZINC000929223863 663987989 /nfs/dbraw/zinc/98/79/89/663987989.db2.gz DNBSBZXHILROMT-GFCCVEGCSA-N 1 1 302.371 -1.321 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)C1(O)CCOCC1 ZINC000929223863 663987992 /nfs/dbraw/zinc/98/79/92/663987992.db2.gz DNBSBZXHILROMT-GFCCVEGCSA-N 1 1 302.371 -1.321 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000929473261 663988816 /nfs/dbraw/zinc/98/88/16/663988816.db2.gz XGMCRKNEMCEQKN-NEPJUHHUSA-N 1 1 322.427 -1.098 20 0 DAADMO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)CC2 ZINC000929953020 663988945 /nfs/dbraw/zinc/98/89/45/663988945.db2.gz LFKUMYSYAWYPRJ-MNOVXSKESA-N 1 1 306.370 -1.162 20 0 DAADMO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)CC2 ZINC000929953020 663988948 /nfs/dbraw/zinc/98/89/48/663988948.db2.gz LFKUMYSYAWYPRJ-MNOVXSKESA-N 1 1 306.370 -1.162 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000929473152 663989019 /nfs/dbraw/zinc/98/90/19/663989019.db2.gz YRNKVRZMIAZZLF-FRRDWIJNSA-N 1 1 322.427 -1.098 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCOC[C@H]1COC ZINC000929895453 663989090 /nfs/dbraw/zinc/98/90/90/663989090.db2.gz RNPZNQOLRUNYPA-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCOC[C@@H]1COC ZINC000929895454 663989114 /nfs/dbraw/zinc/98/91/14/663989114.db2.gz RNPZNQOLRUNYPA-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCN1C ZINC000929526707 663989324 /nfs/dbraw/zinc/98/93/24/663989324.db2.gz VZKBIKFWUIBIRJ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C[C@]1(O)CCOC1 ZINC000930016899 663989786 /nfs/dbraw/zinc/98/97/86/663989786.db2.gz FLEDWLDODAEODC-YNEHKIRRSA-N 1 1 322.427 -1.098 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930016897 663989815 /nfs/dbraw/zinc/98/98/15/663989815.db2.gz FLEDWLDODAEODC-RWMBFGLXSA-N 1 1 322.427 -1.098 20 0 DAADMO C[C@@]1(CC(=O)N2CC[NH+](CCO)CC2)CCS(=O)(=O)N1 ZINC000930034726 663989874 /nfs/dbraw/zinc/98/98/74/663989874.db2.gz DDHMWNJAPGGIQX-LBPRGKRZSA-N 1 1 305.400 -1.405 20 0 DAADMO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000930104135 663989959 /nfs/dbraw/zinc/98/99/59/663989959.db2.gz PPHNNEKTLUPOKP-NSHDSACASA-N 1 1 317.411 -1.108 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000929981690 663990537 /nfs/dbraw/zinc/99/05/37/663990537.db2.gz KLFABUIBJCLYGS-XQQFMLRXSA-N 1 1 322.427 -1.098 20 0 DAADMO C[N@@H+](C[C@@H](O)C1(O)CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000930540887 663991447 /nfs/dbraw/zinc/99/14/47/663991447.db2.gz KDIPUQVYZINVPF-NWDGAFQWSA-N 1 1 322.427 -1.146 20 0 DAADMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930714446 663991773 /nfs/dbraw/zinc/99/17/73/663991773.db2.gz YXLXAJPDRIAMJT-CHWSQXEVSA-N 1 1 316.398 -1.075 20 0 DAADMO COC(=O)[C@H]1CN(C[C@@H](O)C2(O)CCOCC2)CC[N@H+](C)C1 ZINC000930714446 663991778 /nfs/dbraw/zinc/99/17/78/663991778.db2.gz YXLXAJPDRIAMJT-CHWSQXEVSA-N 1 1 316.398 -1.075 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC(S(N)(=O)=O)C2)CC1 ZINC000930728662 663992664 /nfs/dbraw/zinc/99/26/64/663992664.db2.gz BQGCBCCTYGBYTB-SNVBAGLBSA-N 1 1 304.416 -1.488 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC(S(N)(=O)=O)C2)CC1 ZINC000930728657 663992707 /nfs/dbraw/zinc/99/27/07/663992707.db2.gz BQGCBCCTYGBYTB-JTQLQIEISA-N 1 1 304.416 -1.488 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)C2(O)CCOCC2)CCN1S(C)(=O)=O ZINC000931014385 663993552 /nfs/dbraw/zinc/99/35/52/663993552.db2.gz KLRMBYVNMFOFOY-NEPJUHHUSA-N 1 1 322.427 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)C2(O)CCOCC2)CCN1S(C)(=O)=O ZINC000931014385 663993553 /nfs/dbraw/zinc/99/35/53/663993553.db2.gz KLRMBYVNMFOFOY-NEPJUHHUSA-N 1 1 322.427 -1.146 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@@H]3CCN(OC)C3=O)C[C@H]21 ZINC000931023618 663993573 /nfs/dbraw/zinc/99/35/73/663993573.db2.gz DYZXPRWQDFJABR-ZDCRXTMVSA-N 1 1 304.368 -1.108 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@@H]3CCN(OC)C3=O)C[C@H]21 ZINC000931023618 663993576 /nfs/dbraw/zinc/99/35/76/663993576.db2.gz DYZXPRWQDFJABR-ZDCRXTMVSA-N 1 1 304.368 -1.108 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1CO ZINC000931402815 663993868 /nfs/dbraw/zinc/99/38/68/663993868.db2.gz HPIBPTGOMAECSO-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1CO ZINC000931402815 663993870 /nfs/dbraw/zinc/99/38/70/663993870.db2.gz HPIBPTGOMAECSO-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931488830 663994537 /nfs/dbraw/zinc/99/45/37/663994537.db2.gz WUJPGULYVGEFBI-UKRRQHHQSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931488830 663994539 /nfs/dbraw/zinc/99/45/39/663994539.db2.gz WUJPGULYVGEFBI-UKRRQHHQSA-N 1 1 315.414 -1.405 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632761 663994897 /nfs/dbraw/zinc/99/48/97/663994897.db2.gz ANMCZFKOXBFAGO-STQMWFEESA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632761 663994902 /nfs/dbraw/zinc/99/49/02/663994902.db2.gz ANMCZFKOXBFAGO-STQMWFEESA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632761 663994905 /nfs/dbraw/zinc/99/49/05/663994905.db2.gz ANMCZFKOXBFAGO-STQMWFEESA-N 1 1 306.403 -1.019 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931639022 663995514 /nfs/dbraw/zinc/99/55/14/663995514.db2.gz GOIZDAFPLBQPFC-JTQLQIEISA-N 1 1 304.343 -1.279 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000931869861 663995805 /nfs/dbraw/zinc/99/58/05/663995805.db2.gz HHGJMHOKWMSNHA-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000931869861 663995809 /nfs/dbraw/zinc/99/58/09/663995809.db2.gz HHGJMHOKWMSNHA-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000931875909 663996110 /nfs/dbraw/zinc/99/61/10/663996110.db2.gz UKZPNTWLYQKCGA-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000931875909 663996114 /nfs/dbraw/zinc/99/61/14/663996114.db2.gz UKZPNTWLYQKCGA-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO CN1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931879254 663996136 /nfs/dbraw/zinc/99/61/36/663996136.db2.gz WUJGMZVUNSTBMG-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000931884172 663996543 /nfs/dbraw/zinc/99/65/43/663996543.db2.gz FMZADFSAVJRTOI-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000931884172 663996547 /nfs/dbraw/zinc/99/65/47/663996547.db2.gz FMZADFSAVJRTOI-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000931885845 663997134 /nfs/dbraw/zinc/99/71/34/663997134.db2.gz LXMWMRNRPDLIOQ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000931885845 663997136 /nfs/dbraw/zinc/99/71/36/663997136.db2.gz LXMWMRNRPDLIOQ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931885019 663997280 /nfs/dbraw/zinc/99/72/80/663997280.db2.gz BRQYQPPAZOSRHN-KGLIPLIRSA-N 1 1 324.425 -1.136 20 0 DAADMO COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931886739 663997364 /nfs/dbraw/zinc/99/73/64/663997364.db2.gz NDSVSJZQGVGVKG-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931886739 663997367 /nfs/dbraw/zinc/99/73/67/663997367.db2.gz NDSVSJZQGVGVKG-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931886170 663997383 /nfs/dbraw/zinc/99/73/83/663997383.db2.gz RNJJJOBVRYVFEQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931886170 663997387 /nfs/dbraw/zinc/99/73/87/663997387.db2.gz RNJJJOBVRYVFEQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931889277 663997509 /nfs/dbraw/zinc/99/75/09/663997509.db2.gz FRVKJTSIGSMJDH-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000931885850 663997689 /nfs/dbraw/zinc/99/76/89/663997689.db2.gz LXMWMRNRPDLIOQ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000931885850 663997695 /nfs/dbraw/zinc/99/76/95/663997695.db2.gz LXMWMRNRPDLIOQ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932297925 663998396 /nfs/dbraw/zinc/99/83/96/663998396.db2.gz FTEXZIVCUDXNTJ-QWRGUYRKSA-N 1 1 315.395 -1.500 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932297925 663998400 /nfs/dbraw/zinc/99/84/00/663998400.db2.gz FTEXZIVCUDXNTJ-QWRGUYRKSA-N 1 1 315.395 -1.500 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC000932701411 663999264 /nfs/dbraw/zinc/99/92/64/663999264.db2.gz SQGUBSINHCCANN-JTQLQIEISA-N 1 1 314.411 -1.502 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932547593 663999439 /nfs/dbraw/zinc/99/94/39/663999439.db2.gz OZOBHOGHDWBTKO-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932547594 663999597 /nfs/dbraw/zinc/99/95/97/663999597.db2.gz OZOBHOGHDWBTKO-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000176 /nfs/dbraw/zinc/00/01/76/664000176.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 1 1 309.432 -1.464 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948807 664000178 /nfs/dbraw/zinc/00/01/78/664000178.db2.gz UENMEBGYFPHALW-NEPJUHHUSA-N 1 1 309.432 -1.464 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C(=O)N1CCNC(=O)C1 ZINC000932953847 664000394 /nfs/dbraw/zinc/00/03/94/664000394.db2.gz ZLZZKCLQHPUJHT-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)N1CCCC1 ZINC000933095104 664001031 /nfs/dbraw/zinc/00/10/31/664001031.db2.gz CKODRQTYTVBDEE-NSHDSACASA-N 1 1 302.400 -1.167 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](CCCN3CCOCC3)CCN21 ZINC000933097645 664001084 /nfs/dbraw/zinc/00/10/84/664001084.db2.gz ULAZOBNECYWGCD-LBPRGKRZSA-N 1 1 304.416 -1.457 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000933486241 664001572 /nfs/dbraw/zinc/00/15/72/664001572.db2.gz MZJRUDURDNXNJG-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CS(N)(=O)=O ZINC000933703875 664001587 /nfs/dbraw/zinc/00/15/87/664001587.db2.gz PQJVPZFKKOYOPJ-MNOVXSKESA-N 1 1 305.400 -1.298 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000933486242 664001854 /nfs/dbraw/zinc/00/18/54/664001854.db2.gz MZJRUDURDNXNJG-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCCc1nnnn1C ZINC000933863286 664002032 /nfs/dbraw/zinc/00/20/32/664002032.db2.gz VHCFHLCCQBIBKZ-UHFFFAOYSA-N 1 1 323.401 -1.189 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700733 664002051 /nfs/dbraw/zinc/00/20/51/664002051.db2.gz SLYQRLCMMNMTOZ-FRRDWIJNSA-N 1 1 323.459 -1.218 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCCc2nnnn2C)CC1 ZINC000933860034 664002302 /nfs/dbraw/zinc/00/23/02/664002302.db2.gz JFWRKJUQERNFMJ-UHFFFAOYSA-N 1 1 323.401 -1.187 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000935173688 664004124 /nfs/dbraw/zinc/00/41/24/664004124.db2.gz RFTVXOMBOBBICZ-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000935189682 664004464 /nfs/dbraw/zinc/00/44/64/664004464.db2.gz LIZDLBYPMHDAGK-VWYCJHECSA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000935189672 664004500 /nfs/dbraw/zinc/00/45/00/664004500.db2.gz LIZDLBYPMHDAGK-GARJFASQSA-N 1 1 309.374 -1.271 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000935400430 664004918 /nfs/dbraw/zinc/00/49/18/664004918.db2.gz SFOYXZPGFDLZQT-NEPJUHHUSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC000947463879 664008117 /nfs/dbraw/zinc/00/81/17/664008117.db2.gz NSOBXIAALUXTSX-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC000947630249 664009129 /nfs/dbraw/zinc/00/91/29/664009129.db2.gz XNBSDNHJZYWUTA-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC001006426808 664010454 /nfs/dbraw/zinc/01/04/54/664010454.db2.gz VMXMIDHVWBIJNE-JTQLQIEISA-N 1 1 318.399 -1.914 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947802457 664010822 /nfs/dbraw/zinc/01/08/22/664010822.db2.gz ZPBYHESRCMIDJM-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[N@@H+]1CC(N)=O ZINC000948017790 664011729 /nfs/dbraw/zinc/01/17/29/664011729.db2.gz XFMPWRLMPJPYDT-RKDXNWHRSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[N@H+]1CC(N)=O ZINC000948017790 664011732 /nfs/dbraw/zinc/01/17/32/664011732.db2.gz XFMPWRLMPJPYDT-RKDXNWHRSA-N 1 1 320.353 -1.357 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCO)[C@@H](C)C2)c(=O)n1C ZINC000947983528 664011767 /nfs/dbraw/zinc/01/17/67/664011767.db2.gz BPENNVTUSOGFCH-JQWIXIFHSA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000948033009 664011936 /nfs/dbraw/zinc/01/19/36/664011936.db2.gz ZJGARZSXDVPSJD-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000948033009 664011943 /nfs/dbraw/zinc/01/19/43/664011943.db2.gz ZJGARZSXDVPSJD-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000948033010 664012019 /nfs/dbraw/zinc/01/20/19/664012019.db2.gz ZJGARZSXDVPSJD-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000948033010 664012027 /nfs/dbraw/zinc/01/20/27/664012027.db2.gz ZJGARZSXDVPSJD-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000948033012 664012057 /nfs/dbraw/zinc/01/20/57/664012057.db2.gz ZJGARZSXDVPSJD-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000948033012 664012059 /nfs/dbraw/zinc/01/20/59/664012059.db2.gz ZJGARZSXDVPSJD-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CC(N)=O ZINC000948070774 664013422 /nfs/dbraw/zinc/01/34/22/664013422.db2.gz SLTQIHCPWYKQEG-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CC(N)=O ZINC000948070774 664013423 /nfs/dbraw/zinc/01/34/23/664013423.db2.gz SLTQIHCPWYKQEG-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2CCN(C(=O)C(N)=O)CC2)no1 ZINC000948080248 664014603 /nfs/dbraw/zinc/01/46/03/664014603.db2.gz HGFNQDFAIRVRLS-UHFFFAOYSA-N 1 1 323.353 -1.058 20 0 DAADMO NC(=O)C(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000948084216 664015471 /nfs/dbraw/zinc/01/54/71/664015471.db2.gz RHXYRTGAFJPUON-RYUDHWBXSA-N 1 1 324.381 -1.558 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948173961 664015962 /nfs/dbraw/zinc/01/59/62/664015962.db2.gz YIBQKIPEDFKZAK-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948445355 664017890 /nfs/dbraw/zinc/01/78/90/664017890.db2.gz ZEOBSKHMMSZMRM-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cn1nccn1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000948548726 664018993 /nfs/dbraw/zinc/01/89/93/664018993.db2.gz PTEADSUURXSZLQ-CYBMUJFWSA-N 1 1 319.369 -1.320 20 0 DAADMO O=C(Cn1nccn1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000948548727 664019340 /nfs/dbraw/zinc/01/93/40/664019340.db2.gz PTEADSUURXSZLQ-ZDUSSCGKSA-N 1 1 319.369 -1.320 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948673820 664020264 /nfs/dbraw/zinc/02/02/64/664020264.db2.gz JTQKHJAZHYFDFS-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[NH+](CCCO)CC2)c1=O ZINC000948630645 664020693 /nfs/dbraw/zinc/02/06/93/664020693.db2.gz XVQZUJHBCHRDQR-UHFFFAOYSA-N 1 1 310.354 -1.926 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000948738537 664021021 /nfs/dbraw/zinc/02/10/21/664021021.db2.gz YCODEAIQBCGLSS-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948851956 664022562 /nfs/dbraw/zinc/02/25/62/664022562.db2.gz FSQGCFPRIGROOQ-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1cc(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)nn1 ZINC000949086698 664027469 /nfs/dbraw/zinc/02/74/69/664027469.db2.gz MRHLRNKFDOSKKL-UHFFFAOYSA-N 1 1 322.369 -1.393 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cnnn1 ZINC000949143200 664028652 /nfs/dbraw/zinc/02/86/52/664028652.db2.gz IOGLEPSOWPNOPL-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CN1CN=NC1=O ZINC000949138255 664029039 /nfs/dbraw/zinc/02/90/39/664029039.db2.gz CZTXEXLCJJWWIF-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC000949149203 664029522 /nfs/dbraw/zinc/02/95/22/664029522.db2.gz MSOQXHYMWNVMBB-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000949187253 664031024 /nfs/dbraw/zinc/03/10/24/664031024.db2.gz JJIJOYHAGYFKPK-GRYCIOLGSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236584 664031053 /nfs/dbraw/zinc/03/10/53/664031053.db2.gz BCRVSABVDHAHLB-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236584 664031056 /nfs/dbraw/zinc/03/10/56/664031056.db2.gz BCRVSABVDHAHLB-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244048 664031238 /nfs/dbraw/zinc/03/12/38/664031238.db2.gz VCVUPMITLJNPOA-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244048 664031240 /nfs/dbraw/zinc/03/12/40/664031240.db2.gz VCVUPMITLJNPOA-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239324 664031409 /nfs/dbraw/zinc/03/14/09/664031409.db2.gz QTNWJJKRLDZKMU-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239324 664031413 /nfs/dbraw/zinc/03/14/13/664031413.db2.gz QTNWJJKRLDZKMU-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238830 664031485 /nfs/dbraw/zinc/03/14/85/664031485.db2.gz MWHSRAZZMCMJLZ-MNOVXSKESA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238830 664031493 /nfs/dbraw/zinc/03/14/93/664031493.db2.gz MWHSRAZZMCMJLZ-MNOVXSKESA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238215 664031590 /nfs/dbraw/zinc/03/15/90/664031590.db2.gz GSEPIXFZGNZGMG-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238215 664031593 /nfs/dbraw/zinc/03/15/93/664031593.db2.gz GSEPIXFZGNZGMG-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238976 664031641 /nfs/dbraw/zinc/03/16/41/664031641.db2.gz OUDRVEGYLGXAHP-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238976 664031643 /nfs/dbraw/zinc/03/16/43/664031643.db2.gz OUDRVEGYLGXAHP-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239365 664031731 /nfs/dbraw/zinc/03/17/31/664031731.db2.gz RIGAUXFFVNQMQO-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239365 664031734 /nfs/dbraw/zinc/03/17/34/664031734.db2.gz RIGAUXFFVNQMQO-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238831 664031829 /nfs/dbraw/zinc/03/18/29/664031829.db2.gz MWHSRAZZMCMJLZ-QWRGUYRKSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238831 664031833 /nfs/dbraw/zinc/03/18/33/664031833.db2.gz MWHSRAZZMCMJLZ-QWRGUYRKSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240239 664031871 /nfs/dbraw/zinc/03/18/71/664031871.db2.gz ZYLPFBPBLSQDQD-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240239 664031875 /nfs/dbraw/zinc/03/18/75/664031875.db2.gz ZYLPFBPBLSQDQD-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238776 664032025 /nfs/dbraw/zinc/03/20/25/664032025.db2.gz MJFCIYXPRNZCCF-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238776 664032031 /nfs/dbraw/zinc/03/20/31/664032031.db2.gz MJFCIYXPRNZCCF-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000949239798 664032052 /nfs/dbraw/zinc/03/20/52/664032052.db2.gz VGGOTMCLNPVADM-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000949239798 664032057 /nfs/dbraw/zinc/03/20/57/664032057.db2.gz VGGOTMCLNPVADM-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949243866 664032298 /nfs/dbraw/zinc/03/22/98/664032298.db2.gz RPMZSNZIIHERQT-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949243866 664032302 /nfs/dbraw/zinc/03/23/02/664032302.db2.gz RPMZSNZIIHERQT-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949243891 664032414 /nfs/dbraw/zinc/03/24/14/664032414.db2.gz RPMZSNZIIHERQT-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949243891 664032419 /nfs/dbraw/zinc/03/24/19/664032419.db2.gz RPMZSNZIIHERQT-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380438 664034657 /nfs/dbraw/zinc/03/46/57/664034657.db2.gz HCGUWGHHXQMORQ-AJAZOQAWSA-N 1 1 322.409 -1.132 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000949433718 664035451 /nfs/dbraw/zinc/03/54/51/664035451.db2.gz FFXWQXMZGMXPNF-PWSUYJOCSA-N 1 1 307.354 -1.110 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC1)C[N@H+](CCn1cncn1)CCO2 ZINC000949458466 664035982 /nfs/dbraw/zinc/03/59/82/664035982.db2.gz BRUPCNYIBXYUFA-UHFFFAOYSA-N 1 1 322.369 -1.543 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC1)C[N@@H+](CCn1cncn1)CCO2 ZINC000949458466 664035986 /nfs/dbraw/zinc/03/59/86/664035986.db2.gz BRUPCNYIBXYUFA-UHFFFAOYSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(CCn1cnnn1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949499607 664037217 /nfs/dbraw/zinc/03/72/17/664037217.db2.gz VVEVLRNMRDUNCF-UHFFFAOYSA-N 1 1 324.385 -1.251 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)C1CC[NH+](CC(N)=O)CC1 ZINC001006444532 664037876 /nfs/dbraw/zinc/03/78/76/664037876.db2.gz VCAJVWNMWWDKNB-UHFFFAOYSA-N 1 1 323.357 -2.215 20 0 DAADMO CC[C@@H](C[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1)OC ZINC000949642842 664039180 /nfs/dbraw/zinc/03/91/80/664039180.db2.gz IHSMAXVCJTVBPB-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000949648485 664040249 /nfs/dbraw/zinc/04/02/49/664040249.db2.gz IPGRDLNUBPBPMR-QWHCGFSZSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000950076579 664050770 /nfs/dbraw/zinc/05/07/70/664050770.db2.gz GATNZKLRQLGQBN-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CN=NC2=O)C1 ZINC000950065125 664051014 /nfs/dbraw/zinc/05/10/14/664051014.db2.gz UBQLJDQWWRQVBS-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000950081177 664051057 /nfs/dbraw/zinc/05/10/57/664051057.db2.gz ZNKJIOITBUOQLY-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254234 664053347 /nfs/dbraw/zinc/05/33/47/664053347.db2.gz SPUISNCLUZSRAF-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254234 664053349 /nfs/dbraw/zinc/05/33/49/664053349.db2.gz SPUISNCLUZSRAF-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271336 664054965 /nfs/dbraw/zinc/05/49/65/664054965.db2.gz KJJNXXTZVFDXCV-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271336 664054970 /nfs/dbraw/zinc/05/49/70/664054970.db2.gz KJJNXXTZVFDXCV-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000950510486 664058205 /nfs/dbraw/zinc/05/82/05/664058205.db2.gz UISZEOFOAWFSGO-RYUDHWBXSA-N 1 1 322.413 -1.050 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)O1 ZINC000950788755 664062655 /nfs/dbraw/zinc/06/26/55/664062655.db2.gz MUAYAMCJNPLPJC-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)O1 ZINC000950788755 664062660 /nfs/dbraw/zinc/06/26/60/664062660.db2.gz MUAYAMCJNPLPJC-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)O1 ZINC000950788756 664062815 /nfs/dbraw/zinc/06/28/15/664062815.db2.gz MUAYAMCJNPLPJC-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)O1 ZINC000950788756 664062823 /nfs/dbraw/zinc/06/28/23/664062823.db2.gz MUAYAMCJNPLPJC-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000950866048 664063800 /nfs/dbraw/zinc/06/38/00/664063800.db2.gz FXWMBUFGXOJAFV-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000950866046 664063967 /nfs/dbraw/zinc/06/39/67/664063967.db2.gz FXWMBUFGXOJAFV-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000950906603 664065271 /nfs/dbraw/zinc/06/52/71/664065271.db2.gz QGHYFMSETFWKPO-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000950923319 664065487 /nfs/dbraw/zinc/06/54/87/664065487.db2.gz AUBNDWDSDDXXMO-ULKWEWGCSA-N 1 1 322.409 -1.132 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000950923318 664065949 /nfs/dbraw/zinc/06/59/49/664065949.db2.gz AUBNDWDSDDXXMO-RYCVTPFZSA-N 1 1 322.409 -1.132 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC000950923366 664066106 /nfs/dbraw/zinc/06/61/06/664066106.db2.gz DMUOQYBDDYPKOD-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000951010331 664068352 /nfs/dbraw/zinc/06/83/52/664068352.db2.gz PFSIDFDJERFKGH-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000951010331 664068355 /nfs/dbraw/zinc/06/83/55/664068355.db2.gz PFSIDFDJERFKGH-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1CC[NH+](CCO)CC1 ZINC000951166855 664071880 /nfs/dbraw/zinc/07/18/80/664071880.db2.gz SVTJOTFCJIEJOK-UHFFFAOYSA-N 1 1 306.326 -1.973 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310319 664075247 /nfs/dbraw/zinc/07/52/47/664075247.db2.gz QXWKKUCJRACLTA-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310319 664075250 /nfs/dbraw/zinc/07/52/50/664075250.db2.gz QXWKKUCJRACLTA-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951361936 664075736 /nfs/dbraw/zinc/07/57/36/664075736.db2.gz DWZRIFOULNZWBO-FMCALUSXSA-N 1 1 322.365 -1.948 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000951620757 664087831 /nfs/dbraw/zinc/08/78/31/664087831.db2.gz OUJSEHRAZDJJAE-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000951620755 664088339 /nfs/dbraw/zinc/08/83/39/664088339.db2.gz OUJSEHRAZDJJAE-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC000951623169 664088744 /nfs/dbraw/zinc/08/87/44/664088744.db2.gz RZZQTNPNBRLSEV-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC000951623170 664088790 /nfs/dbraw/zinc/08/87/90/664088790.db2.gz RZZQTNPNBRLSEV-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2nnn(C)n2)C1 ZINC000951625250 664089342 /nfs/dbraw/zinc/08/93/42/664089342.db2.gz REWCDYIBUJXUQG-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649650 664090540 /nfs/dbraw/zinc/09/05/40/664090540.db2.gz WNPAQTDUDOIJMB-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649650 664090545 /nfs/dbraw/zinc/09/05/45/664090545.db2.gz WNPAQTDUDOIJMB-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000951672205 664091558 /nfs/dbraw/zinc/09/15/58/664091558.db2.gz XIIGKWYBULCGIC-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000951752471 664092903 /nfs/dbraw/zinc/09/29/03/664092903.db2.gz DZRZHGPAHAGPFH-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000951752471 664092905 /nfs/dbraw/zinc/09/29/05/664092905.db2.gz DZRZHGPAHAGPFH-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000951754738 664093652 /nfs/dbraw/zinc/09/36/52/664093652.db2.gz UVOYZIVTLDBJLW-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006481832 664094696 /nfs/dbraw/zinc/09/46/96/664094696.db2.gz GRLSYTUQMSEWIP-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)CC2 ZINC000951853270 664097465 /nfs/dbraw/zinc/09/74/65/664097465.db2.gz WSLOEANTJHLSSK-PWSUYJOCSA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)CC2 ZINC000951853271 664097770 /nfs/dbraw/zinc/09/77/70/664097770.db2.gz WSLOEANTJHLSSK-ZYHUDNBSSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC000951874572 664100019 /nfs/dbraw/zinc/10/00/19/664100019.db2.gz NRHRPUNBBSTQJL-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)C2 ZINC000952152340 664107643 /nfs/dbraw/zinc/10/76/43/664107643.db2.gz FEHFRKLTHAQWCF-QWRGUYRKSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138279 664114927 /nfs/dbraw/zinc/11/49/27/664114927.db2.gz UQCMNYUXAGMEAZ-ABAIWWIYSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138279 664114928 /nfs/dbraw/zinc/11/49/28/664114928.db2.gz UQCMNYUXAGMEAZ-ABAIWWIYSA-N 1 1 324.381 -1.747 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953680551 664121902 /nfs/dbraw/zinc/12/19/02/664121902.db2.gz HLRHQHUWWCJPEY-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953686335 664123011 /nfs/dbraw/zinc/12/30/11/664123011.db2.gz VLPYDDNOAKNDMN-LLVKDONJSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000953693211 664123499 /nfs/dbraw/zinc/12/34/99/664123499.db2.gz KVZYEQSKQBNAGE-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000953693851 664123980 /nfs/dbraw/zinc/12/39/80/664123980.db2.gz ZSOQLVILRQWOGR-UHFFFAOYSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1C[NH+](CCCO)C1 ZINC000953833320 664126062 /nfs/dbraw/zinc/12/60/62/664126062.db2.gz CFIXCSJUJGYUKK-UHFFFAOYSA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000953903105 664128265 /nfs/dbraw/zinc/12/82/65/664128265.db2.gz OQRFMSWZLYNCDM-WDEREUQCSA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000953898351 664128291 /nfs/dbraw/zinc/12/82/91/664128291.db2.gz PETJMRQLPXLEIS-MNOVXSKESA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CCn2cnnn2)C1 ZINC000953903682 664128595 /nfs/dbraw/zinc/12/85/95/664128595.db2.gz ZTKFGDKDESYPLX-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953898469 664128722 /nfs/dbraw/zinc/12/87/22/664128722.db2.gz SGRVCTHLMMNIOG-LLVKDONJSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000953941193 664129777 /nfs/dbraw/zinc/12/97/77/664129777.db2.gz SRPPJJCSABVSGF-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953941193 664129781 /nfs/dbraw/zinc/12/97/81/664129781.db2.gz SRPPJJCSABVSGF-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953941193 664129786 /nfs/dbraw/zinc/12/97/86/664129786.db2.gz SRPPJJCSABVSGF-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC000953956687 664130343 /nfs/dbraw/zinc/13/03/43/664130343.db2.gz JINBCFKMMHGPKF-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC000953956687 664130344 /nfs/dbraw/zinc/13/03/44/664130344.db2.gz JINBCFKMMHGPKF-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC000953956689 664130396 /nfs/dbraw/zinc/13/03/96/664130396.db2.gz JINBCFKMMHGPKF-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cc2cc[nH]n2)C1 ZINC000953956689 664130400 /nfs/dbraw/zinc/13/04/00/664130400.db2.gz JINBCFKMMHGPKF-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953957622 664130536 /nfs/dbraw/zinc/13/05/36/664130536.db2.gz FCPLBZAOVWVYNL-WOPDTQHZSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953957622 664130542 /nfs/dbraw/zinc/13/05/42/664130542.db2.gz FCPLBZAOVWVYNL-WOPDTQHZSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn(C)nn2)C1 ZINC000953958311 664130751 /nfs/dbraw/zinc/13/07/51/664130751.db2.gz SMVDQDMQBIYYMU-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn(C)nn2)C1 ZINC000953958311 664130753 /nfs/dbraw/zinc/13/07/53/664130753.db2.gz SMVDQDMQBIYYMU-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954315508 664142552 /nfs/dbraw/zinc/14/25/52/664142552.db2.gz GNEZQXAJXPYXHK-SNVBAGLBSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954315070 664142566 /nfs/dbraw/zinc/14/25/66/664142566.db2.gz CEEVHLIFVSQGTG-SNVBAGLBSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000954318799 664142579 /nfs/dbraw/zinc/14/25/79/664142579.db2.gz ZUIVZCKOQDWZFQ-OCCSQVGLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954315526 664143106 /nfs/dbraw/zinc/14/31/06/664143106.db2.gz GTJBFSKPCGXAAN-GXSJLCMTSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2nccn2)C1 ZINC000954318439 664143251 /nfs/dbraw/zinc/14/32/51/664143251.db2.gz TXJGNHPARSQNQG-LLVKDONJSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000954324120 664143886 /nfs/dbraw/zinc/14/38/86/664143886.db2.gz SUECDHNCOKXWBS-CMPLNLGQSA-N 1 1 323.397 -1.369 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954354868 664145787 /nfs/dbraw/zinc/14/57/87/664145787.db2.gz FVUBHGPYPBATOK-NSHDSACASA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000954407561 664147270 /nfs/dbraw/zinc/14/72/70/664147270.db2.gz IZKYARJBUYPLDV-ZYHUDNBSSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000954407714 664147563 /nfs/dbraw/zinc/14/75/63/664147563.db2.gz JKMOSCXEXWMSIW-JLLWLGSASA-N 1 1 323.397 -1.323 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954472947 664149102 /nfs/dbraw/zinc/14/91/02/664149102.db2.gz MDOBDYWQECZBSM-KOLCDFICSA-N 1 1 310.354 -1.996 20 0 DAADMO CN(C(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C(N)=O)C1 ZINC000954685792 664153716 /nfs/dbraw/zinc/15/37/16/664153716.db2.gz DDQMXUJRZPTRTG-UHFFFAOYSA-N 1 1 309.326 -1.496 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954707049 664154321 /nfs/dbraw/zinc/15/43/21/664154321.db2.gz SEZHNWLEGUNOET-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954721777 664154429 /nfs/dbraw/zinc/15/44/29/664154429.db2.gz AFJKHRGMIQYOBN-NSHDSACASA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954721777 664154431 /nfs/dbraw/zinc/15/44/31/664154431.db2.gz AFJKHRGMIQYOBN-NSHDSACASA-N 1 1 308.342 -1.582 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)O1 ZINC000954731197 664155051 /nfs/dbraw/zinc/15/50/51/664155051.db2.gz RTOQAEGHHKTTGH-BXKDBHETSA-N 1 1 322.369 -1.193 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)O1 ZINC000954731197 664155056 /nfs/dbraw/zinc/15/50/56/664155056.db2.gz RTOQAEGHHKTTGH-BXKDBHETSA-N 1 1 322.369 -1.193 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954841380 664158066 /nfs/dbraw/zinc/15/80/66/664158066.db2.gz XUMVPSPIKPYAKD-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954835554 664158075 /nfs/dbraw/zinc/15/80/75/664158075.db2.gz RSBFAUBDGKXFOM-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954915894 664160057 /nfs/dbraw/zinc/16/00/57/664160057.db2.gz MCSWYIHBVBNTQQ-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954962158 664163278 /nfs/dbraw/zinc/16/32/78/664163278.db2.gz SPMCKCSCVPREQP-ZYHUDNBSSA-N 1 1 323.397 -1.369 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC000954963393 664164091 /nfs/dbraw/zinc/16/40/91/664164091.db2.gz QYYQIZOEZBGLQC-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955022488 664165947 /nfs/dbraw/zinc/16/59/47/664165947.db2.gz GCBBBWBMJLMYLU-JTQLQIEISA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955022488 664165950 /nfs/dbraw/zinc/16/59/50/664165950.db2.gz GCBBBWBMJLMYLU-JTQLQIEISA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000955018897 664166015 /nfs/dbraw/zinc/16/60/15/664166015.db2.gz KBSHTMQBLXNJFZ-UHFFFAOYSA-N 1 1 322.369 -1.190 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955032395 664167627 /nfs/dbraw/zinc/16/76/27/664167627.db2.gz RCJQYKJSZCDIFL-ONGXEEELSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955032394 664168222 /nfs/dbraw/zinc/16/82/22/664168222.db2.gz RCJQYKJSZCDIFL-MWLCHTKSSA-N 1 1 321.385 -1.309 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C1CN(C(=O)C(N)=O)C1)CC2 ZINC000955136074 664171393 /nfs/dbraw/zinc/17/13/93/664171393.db2.gz JBNNSZDKKMFHIL-JTQLQIEISA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955112504 664171444 /nfs/dbraw/zinc/17/14/44/664171444.db2.gz VVUHYZLOZFKCDS-LBPRGKRZSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955112504 664171447 /nfs/dbraw/zinc/17/14/47/664171447.db2.gz VVUHYZLOZFKCDS-LBPRGKRZSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955150176 664172541 /nfs/dbraw/zinc/17/25/41/664172541.db2.gz NNMXFECCNLBMEO-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000955153079 664175012 /nfs/dbraw/zinc/17/50/12/664175012.db2.gz GOKWMUPHGCNKTN-YUSALJHKSA-N 1 1 323.397 -1.323 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955153825 664175060 /nfs/dbraw/zinc/17/50/60/664175060.db2.gz OTYDQHADKXJZRO-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955155008 664175514 /nfs/dbraw/zinc/17/55/14/664175514.db2.gz ZQRKTODPJJKYFR-KOLCDFICSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000955157073 664175934 /nfs/dbraw/zinc/17/59/34/664175934.db2.gz ZVUAFPDSBYTAQJ-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000955159389 664176640 /nfs/dbraw/zinc/17/66/40/664176640.db2.gz DFDFYXBCWIHYGQ-JTQLQIEISA-N 1 1 305.338 -1.085 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000955159635 664177063 /nfs/dbraw/zinc/17/70/63/664177063.db2.gz FKXPAKBHUSGUCF-QMJNDHNRSA-N 1 1 322.365 -1.996 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000955342802 664181362 /nfs/dbraw/zinc/18/13/62/664181362.db2.gz OKDPNRJCMGQFTE-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000955342803 664181792 /nfs/dbraw/zinc/18/17/92/664181792.db2.gz OKDPNRJCMGQFTE-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000955345152 664182460 /nfs/dbraw/zinc/18/24/60/664182460.db2.gz SQBUFFHPXHSHNF-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955350977 664182883 /nfs/dbraw/zinc/18/28/83/664182883.db2.gz QFTRUPHCBKIKIB-JLLWLGSASA-N 1 1 308.382 -1.271 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955350216 664183223 /nfs/dbraw/zinc/18/32/23/664183223.db2.gz RKSAJTJRAYKDRE-CMPLNLGQSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955386590 664184246 /nfs/dbraw/zinc/18/42/46/664184246.db2.gz FXNVKZFMXJZOBH-LLVKDONJSA-N 1 1 322.369 -1.653 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955386590 664184254 /nfs/dbraw/zinc/18/42/54/664184254.db2.gz FXNVKZFMXJZOBH-LLVKDONJSA-N 1 1 322.369 -1.653 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2nnn(C)n2)n1 ZINC001037059250 664185359 /nfs/dbraw/zinc/18/53/59/664185359.db2.gz WAROUCMFCUSSKT-RKDXNWHRSA-N 1 1 320.361 -1.578 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000956090144 664193874 /nfs/dbraw/zinc/19/38/74/664193874.db2.gz BJRWNEWPFHZOBF-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000956090144 664193877 /nfs/dbraw/zinc/19/38/77/664193877.db2.gz BJRWNEWPFHZOBF-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000956157721 664194747 /nfs/dbraw/zinc/19/47/47/664194747.db2.gz RDIZRVACBLZPRF-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC001037112513 664198243 /nfs/dbraw/zinc/19/82/43/664198243.db2.gz PIUYJLQUZUGHMG-UWVGGRQHSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]n2)n1 ZINC001037113741 664198277 /nfs/dbraw/zinc/19/82/77/664198277.db2.gz ZENBQAUOLOKCKL-ZJUUUORDSA-N 1 1 319.373 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000956928507 664204289 /nfs/dbraw/zinc/20/42/89/664204289.db2.gz KSYPYCRPYBKGQQ-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000957134787 664205695 /nfs/dbraw/zinc/20/56/95/664205695.db2.gz GTUWSVPDFCERHN-GFCCVEGCSA-N 1 1 319.369 -1.251 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)O1 ZINC000957161831 664206894 /nfs/dbraw/zinc/20/68/94/664206894.db2.gz RIFMIVBYGOUBDX-RULNRJAQSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)O1 ZINC000957161831 664206897 /nfs/dbraw/zinc/20/68/97/664206897.db2.gz RIFMIVBYGOUBDX-RULNRJAQSA-N 1 1 312.370 -1.702 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000957393677 664211432 /nfs/dbraw/zinc/21/14/32/664211432.db2.gz WTBLRPUQHCQPKV-STQMWFEESA-N 1 1 321.381 -1.333 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000957688327 664217246 /nfs/dbraw/zinc/21/72/46/664217246.db2.gz NRACDVRBTUQAAI-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000957688612 664217309 /nfs/dbraw/zinc/21/73/09/664217309.db2.gz ZZGFDWZEZQLQHO-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC000957720852 664217396 /nfs/dbraw/zinc/21/73/96/664217396.db2.gz MDRKQSHQANPAII-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC000957720852 664217403 /nfs/dbraw/zinc/21/74/03/664217403.db2.gz MDRKQSHQANPAII-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785255 664218114 /nfs/dbraw/zinc/21/81/14/664218114.db2.gz VGYBYTOYMMHPTA-NEPJUHHUSA-N 1 1 324.381 -2.236 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785255 664218118 /nfs/dbraw/zinc/21/81/18/664218118.db2.gz VGYBYTOYMMHPTA-NEPJUHHUSA-N 1 1 324.381 -2.236 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957778425 664218407 /nfs/dbraw/zinc/21/84/07/664218407.db2.gz SVBJLZFPMVPSOG-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC000957802058 664219157 /nfs/dbraw/zinc/21/91/57/664219157.db2.gz AQAOUWZHPGHFIF-VXGBXAGGSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC000957802055 664219180 /nfs/dbraw/zinc/21/91/80/664219180.db2.gz AQAOUWZHPGHFIF-NEPJUHHUSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835295 664219867 /nfs/dbraw/zinc/21/98/67/664219867.db2.gz UOMPMDRIWBOHDR-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835295 664219870 /nfs/dbraw/zinc/21/98/70/664219870.db2.gz UOMPMDRIWBOHDR-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846235 664220183 /nfs/dbraw/zinc/22/01/83/664220183.db2.gz GDTRGXLFULUPBH-KOLCDFICSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846235 664220185 /nfs/dbraw/zinc/22/01/85/664220185.db2.gz GDTRGXLFULUPBH-KOLCDFICSA-N 1 1 323.353 -1.707 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC000957838088 664220191 /nfs/dbraw/zinc/22/01/91/664220191.db2.gz IKMLFFNLPFKGOW-YPMHNXCESA-N 1 1 317.353 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957842803 664220210 /nfs/dbraw/zinc/22/02/10/664220210.db2.gz PDZBKTZQPNBLKM-VXGBXAGGSA-N 1 1 308.338 -1.912 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957842803 664220212 /nfs/dbraw/zinc/22/02/12/664220212.db2.gz PDZBKTZQPNBLKM-VXGBXAGGSA-N 1 1 308.338 -1.912 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957848201 664220264 /nfs/dbraw/zinc/22/02/64/664220264.db2.gz XOZIEBJJLLEWJV-PSASIEDQSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957848201 664220268 /nfs/dbraw/zinc/22/02/68/664220268.db2.gz XOZIEBJJLLEWJV-PSASIEDQSA-N 1 1 309.326 -2.049 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957841406 664220472 /nfs/dbraw/zinc/22/04/72/664220472.db2.gz CESQJYLVIRYLCV-WDEREUQCSA-N 1 1 313.354 -1.628 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957841406 664220474 /nfs/dbraw/zinc/22/04/74/664220474.db2.gz CESQJYLVIRYLCV-WDEREUQCSA-N 1 1 313.354 -1.628 20 0 DAADMO Cc1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cn1 ZINC000957838454 664220867 /nfs/dbraw/zinc/22/08/67/664220867.db2.gz ODYGOKGGJMYSNM-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cn1 ZINC000957838454 664220869 /nfs/dbraw/zinc/22/08/69/664220869.db2.gz ODYGOKGGJMYSNM-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2snnc2C)C1 ZINC000957863716 664221004 /nfs/dbraw/zinc/22/10/04/664221004.db2.gz NEURWZVCWDFJCT-DTWKUNHWSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2snnc2C)C1 ZINC000957863716 664221007 /nfs/dbraw/zinc/22/10/07/664221007.db2.gz NEURWZVCWDFJCT-DTWKUNHWSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2snnc2C)C1 ZINC000957863718 664221450 /nfs/dbraw/zinc/22/14/50/664221450.db2.gz NEURWZVCWDFJCT-IUCAKERBSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2snnc2C)C1 ZINC000957863718 664221452 /nfs/dbraw/zinc/22/14/52/664221452.db2.gz NEURWZVCWDFJCT-IUCAKERBSA-N 1 1 313.383 -1.385 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]n1 ZINC000957884074 664221468 /nfs/dbraw/zinc/22/14/68/664221468.db2.gz ZBKNJNGIBVVKOP-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]n1 ZINC000957884074 664221471 /nfs/dbraw/zinc/22/14/71/664221471.db2.gz ZBKNJNGIBVVKOP-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC000957855319 664221504 /nfs/dbraw/zinc/22/15/04/664221504.db2.gz LMLLNIKYGUPUDC-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)[nH]n1 ZINC000957881972 664221623 /nfs/dbraw/zinc/22/16/23/664221623.db2.gz IBLAVVWIFYHDBA-BXKDBHETSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)[nH]n1 ZINC000957881972 664221625 /nfs/dbraw/zinc/22/16/25/664221625.db2.gz IBLAVVWIFYHDBA-BXKDBHETSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC000957855715 664221678 /nfs/dbraw/zinc/22/16/78/664221678.db2.gz REBGBQGREKEZIH-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC000957855715 664221682 /nfs/dbraw/zinc/22/16/82/664221682.db2.gz REBGBQGREKEZIH-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2snnc2C)C1 ZINC000957863714 664221734 /nfs/dbraw/zinc/22/17/34/664221734.db2.gz NEURWZVCWDFJCT-BDAKNGLRSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2snnc2C)C1 ZINC000957863714 664221738 /nfs/dbraw/zinc/22/17/38/664221738.db2.gz NEURWZVCWDFJCT-BDAKNGLRSA-N 1 1 313.383 -1.385 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnns1 ZINC000957886837 664222060 /nfs/dbraw/zinc/22/20/60/664222060.db2.gz OVLGXHJAZPQZEL-UWVGGRQHSA-N 1 1 323.382 -1.148 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1)N1CCC1 ZINC000957898382 664223463 /nfs/dbraw/zinc/22/34/63/664223463.db2.gz ORRUPWHXFQIQHE-ZYHUDNBSSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1)N1CCC1 ZINC000957898382 664223468 /nfs/dbraw/zinc/22/34/68/664223468.db2.gz ORRUPWHXFQIQHE-ZYHUDNBSSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898380 664223618 /nfs/dbraw/zinc/22/36/18/664223618.db2.gz ORRUPWHXFQIQHE-PWSUYJOCSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898380 664223620 /nfs/dbraw/zinc/22/36/20/664223620.db2.gz ORRUPWHXFQIQHE-PWSUYJOCSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC000957899107 664223807 /nfs/dbraw/zinc/22/38/07/664223807.db2.gz XAPOFAHDHVXEDJ-VXGBXAGGSA-N 1 1 322.369 -1.543 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000957905612 664224266 /nfs/dbraw/zinc/22/42/66/664224266.db2.gz LCFFMLSCOYFBPV-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccon1 ZINC000957901468 664224303 /nfs/dbraw/zinc/22/43/03/664224303.db2.gz BWKBOVULZOXCNR-PWSUYJOCSA-N 1 1 306.326 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2C)C1 ZINC000957902360 664224431 /nfs/dbraw/zinc/22/44/31/664224431.db2.gz QAZLXBIWXNJREK-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2C)C1 ZINC000957902360 664224436 /nfs/dbraw/zinc/22/44/36/664224436.db2.gz QAZLXBIWXNJREK-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnsn1 ZINC000957902582 664224483 /nfs/dbraw/zinc/22/44/83/664224483.db2.gz SVCWEGAQXQIZDA-KOLCDFICSA-N 1 1 323.382 -1.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957905134 664224591 /nfs/dbraw/zinc/22/45/91/664224591.db2.gz DKPCOYFKBMRYQV-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957905134 664224596 /nfs/dbraw/zinc/22/45/96/664224596.db2.gz DKPCOYFKBMRYQV-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccon1 ZINC000957901469 664224666 /nfs/dbraw/zinc/22/46/66/664224666.db2.gz BWKBOVULZOXCNR-ZYHUDNBSSA-N 1 1 306.326 -1.011 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957905645 664224685 /nfs/dbraw/zinc/22/46/85/664224685.db2.gz LOQQGMNEBXGAOL-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957905645 664224687 /nfs/dbraw/zinc/22/46/87/664224687.db2.gz LOQQGMNEBXGAOL-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cocn1 ZINC000957929569 664226046 /nfs/dbraw/zinc/22/60/46/664226046.db2.gz AFBSWPKKVBGZOW-JQWIXIFHSA-N 1 1 306.326 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939735 664226159 /nfs/dbraw/zinc/22/61/59/664226159.db2.gz LZZPVOZWAKVELL-JQWIXIFHSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939735 664226160 /nfs/dbraw/zinc/22/61/60/664226160.db2.gz LZZPVOZWAKVELL-JQWIXIFHSA-N 1 1 322.365 -1.102 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC000957932749 664226310 /nfs/dbraw/zinc/22/63/10/664226310.db2.gz YEZCRVNVTMRQFU-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC000957932749 664226314 /nfs/dbraw/zinc/22/63/14/664226314.db2.gz YEZCRVNVTMRQFU-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925892 664226748 /nfs/dbraw/zinc/22/67/48/664226748.db2.gz HVZPAMXIJOTMBC-CMPLNLGQSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925892 664226752 /nfs/dbraw/zinc/22/67/52/664226752.db2.gz HVZPAMXIJOTMBC-CMPLNLGQSA-N 1 1 308.338 -1.071 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC000957939737 664226845 /nfs/dbraw/zinc/22/68/45/664226845.db2.gz LZZPVOZWAKVELL-ZYHUDNBSSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC000957939737 664226850 /nfs/dbraw/zinc/22/68/50/664226850.db2.gz LZZPVOZWAKVELL-ZYHUDNBSSA-N 1 1 322.365 -1.102 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC000957932748 664226916 /nfs/dbraw/zinc/22/69/16/664226916.db2.gz YEZCRVNVTMRQFU-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC000957932748 664226920 /nfs/dbraw/zinc/22/69/20/664226920.db2.gz YEZCRVNVTMRQFU-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943116 664227679 /nfs/dbraw/zinc/22/76/79/664227679.db2.gz BSTUIYFRJKQVAA-PWSUYJOCSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943116 664227682 /nfs/dbraw/zinc/22/76/82/664227682.db2.gz BSTUIYFRJKQVAA-PWSUYJOCSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953315 664227783 /nfs/dbraw/zinc/22/77/83/664227783.db2.gz LHZUOYXWLWONMC-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953315 664227786 /nfs/dbraw/zinc/22/77/86/664227786.db2.gz LHZUOYXWLWONMC-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC000957953674 664227800 /nfs/dbraw/zinc/22/78/00/664227800.db2.gz QFEDCMQVQWGQEZ-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC000957953674 664227805 /nfs/dbraw/zinc/22/78/05/664227805.db2.gz QFEDCMQVQWGQEZ-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC000957984143 664228077 /nfs/dbraw/zinc/22/80/77/664228077.db2.gz ZOLMAIDUKKLVCS-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC000957978500 664228602 /nfs/dbraw/zinc/22/86/02/664228602.db2.gz DNUGKQJHVVZRIH-RKDXNWHRSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC000957978500 664228605 /nfs/dbraw/zinc/22/86/05/664228605.db2.gz DNUGKQJHVVZRIH-RKDXNWHRSA-N 1 1 312.326 -1.548 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC000957982437 664228639 /nfs/dbraw/zinc/22/86/39/664228639.db2.gz MDKTXLIDRFAATN-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC000957982437 664228641 /nfs/dbraw/zinc/22/86/41/664228641.db2.gz MDKTXLIDRFAATN-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC000957982440 664228645 /nfs/dbraw/zinc/22/86/45/664228645.db2.gz MDKTXLIDRFAATN-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC000957982440 664228646 /nfs/dbraw/zinc/22/86/46/664228646.db2.gz MDKTXLIDRFAATN-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC000957990886 664229015 /nfs/dbraw/zinc/22/90/15/664229015.db2.gz PFVXFLVTHFDKGG-CHWSQXEVSA-N 1 1 317.353 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997202 664229143 /nfs/dbraw/zinc/22/91/43/664229143.db2.gz WUZCUSGMDNWBRX-WCBMZHEXSA-N 1 1 310.358 -2.229 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997202 664229145 /nfs/dbraw/zinc/22/91/45/664229145.db2.gz WUZCUSGMDNWBRX-WCBMZHEXSA-N 1 1 310.358 -2.229 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)ncn1 ZINC000957986168 664229285 /nfs/dbraw/zinc/22/92/85/664229285.db2.gz MZNUIKCDNOPIRJ-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)ncn1 ZINC000957986168 664229290 /nfs/dbraw/zinc/22/92/90/664229290.db2.gz MZNUIKCDNOPIRJ-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000957992558 664229418 /nfs/dbraw/zinc/22/94/18/664229418.db2.gz XRZAERHUIMOUIV-ONGXEEELSA-N 1 1 308.338 -1.444 20 0 DAADMO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000957987572 664229730 /nfs/dbraw/zinc/22/97/30/664229730.db2.gz YWONCTLCQYJDLF-KIGUWFBYSA-N 1 1 309.366 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000191 664229914 /nfs/dbraw/zinc/22/99/14/664229914.db2.gz VCPYLDKAYRHCJN-CABZTGNLSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000191 664229917 /nfs/dbraw/zinc/22/99/17/664229917.db2.gz VCPYLDKAYRHCJN-CABZTGNLSA-N 1 1 310.329 -1.011 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000016 664229942 /nfs/dbraw/zinc/22/99/42/664229942.db2.gz RKNKHMJXOMNEGB-WCQYABFASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000016 664229947 /nfs/dbraw/zinc/22/99/47/664229947.db2.gz RKNKHMJXOMNEGB-WCQYABFASA-N 1 1 319.365 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015544 664230436 /nfs/dbraw/zinc/23/04/36/664230436.db2.gz LUBIDWDRPVYVKG-PWSUYJOCSA-N 1 1 312.370 -2.380 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015544 664230439 /nfs/dbraw/zinc/23/04/39/664230439.db2.gz LUBIDWDRPVYVKG-PWSUYJOCSA-N 1 1 312.370 -2.380 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)C(F)F ZINC000958000994 664230518 /nfs/dbraw/zinc/23/05/18/664230518.db2.gz BZKPCHAZYIOASK-QMSLJYSESA-N 1 1 302.281 -1.150 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958019316 664230705 /nfs/dbraw/zinc/23/07/05/664230705.db2.gz AICFHLVYAKECST-MNOVXSKESA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958019316 664230707 /nfs/dbraw/zinc/23/07/07/664230707.db2.gz AICFHLVYAKECST-MNOVXSKESA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011370 664230731 /nfs/dbraw/zinc/23/07/31/664230731.db2.gz XHTLCQVXAQGMEW-RYUDHWBXSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011370 664230735 /nfs/dbraw/zinc/23/07/35/664230735.db2.gz XHTLCQVXAQGMEW-RYUDHWBXSA-N 1 1 307.354 -1.446 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958024490 664231237 /nfs/dbraw/zinc/23/12/37/664231237.db2.gz FCRFJBPAEYHFDO-WDEREUQCSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958024488 664231320 /nfs/dbraw/zinc/23/13/20/664231320.db2.gz FCRFJBPAEYHFDO-MNOVXSKESA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958025117 664231666 /nfs/dbraw/zinc/23/16/66/664231666.db2.gz NKNBEFFTQLZUEG-RYUDHWBXSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnnn3C)C2)cn1 ZINC000958035144 664231987 /nfs/dbraw/zinc/23/19/87/664231987.db2.gz ABMGIVNVPYZPGR-WCQYABFASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958025116 664232057 /nfs/dbraw/zinc/23/20/57/664232057.db2.gz NKNBEFFTQLZUEG-NWDGAFQWSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958030878 664232089 /nfs/dbraw/zinc/23/20/89/664232089.db2.gz MDPPDAWILSPQNH-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958030878 664232091 /nfs/dbraw/zinc/23/20/91/664232091.db2.gz MDPPDAWILSPQNH-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025050 664232099 /nfs/dbraw/zinc/23/20/99/664232099.db2.gz MMYUFVGVHVRPQX-ZJUUUORDSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025050 664232101 /nfs/dbraw/zinc/23/21/01/664232101.db2.gz MMYUFVGVHVRPQX-ZJUUUORDSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)nn1 ZINC000958035276 664232107 /nfs/dbraw/zinc/23/21/07/664232107.db2.gz CGILXCAFWSWWRR-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)nn1 ZINC000958035276 664232109 /nfs/dbraw/zinc/23/21/09/664232109.db2.gz CGILXCAFWSWWRR-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958036456 664233026 /nfs/dbraw/zinc/23/30/26/664233026.db2.gz PWBJOCUIOKDGEX-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958036456 664233028 /nfs/dbraw/zinc/23/30/28/664233028.db2.gz PWBJOCUIOKDGEX-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035631 664233043 /nfs/dbraw/zinc/23/30/43/664233043.db2.gz IRFLFWVRPVBUKK-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035631 664233045 /nfs/dbraw/zinc/23/30/45/664233045.db2.gz IRFLFWVRPVBUKK-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958037047 664233524 /nfs/dbraw/zinc/23/35/24/664233524.db2.gz YVOGYGNZCCGVQP-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958037047 664233528 /nfs/dbraw/zinc/23/35/28/664233528.db2.gz YVOGYGNZCCGVQP-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC000958036844 664233604 /nfs/dbraw/zinc/23/36/04/664233604.db2.gz VHJGSXNXVBWFOU-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC000958036844 664233607 /nfs/dbraw/zinc/23/36/07/664233607.db2.gz VHJGSXNXVBWFOU-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095842 664237000 /nfs/dbraw/zinc/23/70/00/664237000.db2.gz CPODPNNTXYFZIA-GXSJLCMTSA-N 1 1 306.384 -1.914 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958041324 664233702 /nfs/dbraw/zinc/23/37/02/664233702.db2.gz LJYLRVKTQNYRHE-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958041324 664233705 /nfs/dbraw/zinc/23/37/05/664233705.db2.gz LJYLRVKTQNYRHE-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095842 664237002 /nfs/dbraw/zinc/23/70/02/664237002.db2.gz CPODPNNTXYFZIA-GXSJLCMTSA-N 1 1 306.384 -1.914 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958040592 664234226 /nfs/dbraw/zinc/23/42/26/664234226.db2.gz DTXHXYFXJNCMQA-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958040592 664234232 /nfs/dbraw/zinc/23/42/32/664234232.db2.gz DTXHXYFXJNCMQA-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958037048 664234258 /nfs/dbraw/zinc/23/42/58/664234258.db2.gz YVOGYGNZCCGVQP-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958037048 664234263 /nfs/dbraw/zinc/23/42/63/664234263.db2.gz YVOGYGNZCCGVQP-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056290 664234647 /nfs/dbraw/zinc/23/46/47/664234647.db2.gz MZAMTPQCDDDPQM-MNOVXSKESA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056290 664234651 /nfs/dbraw/zinc/23/46/51/664234651.db2.gz MZAMTPQCDDDPQM-MNOVXSKESA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC000958051494 664235010 /nfs/dbraw/zinc/23/50/10/664235010.db2.gz PRARYFSPDSNCGW-WDEREUQCSA-N 1 1 322.369 -1.543 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC000958064987 664235075 /nfs/dbraw/zinc/23/50/75/664235075.db2.gz XQJFXLGTIVGKRT-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nn(C)cc2C)[C@H](O)C1 ZINC000958064987 664235077 /nfs/dbraw/zinc/23/50/77/664235077.db2.gz XQJFXLGTIVGKRT-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064990 664235236 /nfs/dbraw/zinc/23/52/36/664235236.db2.gz XQJFXLGTIVGKRT-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064990 664235241 /nfs/dbraw/zinc/23/52/41/664235241.db2.gz XQJFXLGTIVGKRT-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958069207 664235620 /nfs/dbraw/zinc/23/56/20/664235620.db2.gz ICLCUTKFGZWTRZ-JLLWLGSASA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958069207 664235624 /nfs/dbraw/zinc/23/56/24/664235624.db2.gz ICLCUTKFGZWTRZ-JLLWLGSASA-N 1 1 323.353 -1.023 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958068179 664235676 /nfs/dbraw/zinc/23/56/76/664235676.db2.gz FUAMBCGVUKYCAD-AAEUAGOBSA-N 1 1 323.397 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073684 664235747 /nfs/dbraw/zinc/23/57/47/664235747.db2.gz MPIDZOVUAJUSTC-SKDRFNHKSA-N 1 1 322.369 -1.489 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073684 664235748 /nfs/dbraw/zinc/23/57/48/664235748.db2.gz MPIDZOVUAJUSTC-SKDRFNHKSA-N 1 1 322.369 -1.489 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958076829 664235750 /nfs/dbraw/zinc/23/57/50/664235750.db2.gz LOJDGIGGFAYMAA-NXEZZACHSA-N 1 1 312.374 -1.557 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958069974 664235790 /nfs/dbraw/zinc/23/57/90/664235790.db2.gz TTZJXMOSJVUPSF-PWSUYJOCSA-N 1 1 309.370 -1.443 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958068182 664236023 /nfs/dbraw/zinc/23/60/23/664236023.db2.gz FUAMBCGVUKYCAD-YPMHNXCESA-N 1 1 323.397 -1.053 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc2n[nH]nc21 ZINC000958082093 664236051 /nfs/dbraw/zinc/23/60/51/664236051.db2.gz VFYBHJCLRRDKKU-SKDRFNHKSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081606 664236104 /nfs/dbraw/zinc/23/61/04/664236104.db2.gz QTOPNEMNQVBLBV-GZMMTYOYSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081606 664236106 /nfs/dbraw/zinc/23/61/06/664236106.db2.gz QTOPNEMNQVBLBV-GZMMTYOYSA-N 1 1 318.337 -1.534 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC000958073873 664236181 /nfs/dbraw/zinc/23/61/81/664236181.db2.gz NXPASZLRCJSTLK-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC000958073873 664236184 /nfs/dbraw/zinc/23/61/84/664236184.db2.gz NXPASZLRCJSTLK-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnn2C(F)F)[C@H](O)C1 ZINC000958097415 664236981 /nfs/dbraw/zinc/23/69/81/664236981.db2.gz YDHKJBXLFYCDRF-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnn2C(F)F)[C@H](O)C1 ZINC000958097415 664236984 /nfs/dbraw/zinc/23/69/84/664236984.db2.gz YDHKJBXLFYCDRF-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097226 664237097 /nfs/dbraw/zinc/23/70/97/664237097.db2.gz VNVBBSHEGPBOPC-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097226 664237100 /nfs/dbraw/zinc/23/71/00/664237100.db2.gz VNVBBSHEGPBOPC-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958101575 664237563 /nfs/dbraw/zinc/23/75/63/664237563.db2.gz UBLMCOXJGQQWDK-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958101575 664237566 /nfs/dbraw/zinc/23/75/66/664237566.db2.gz UBLMCOXJGQQWDK-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958120940 664237573 /nfs/dbraw/zinc/23/75/73/664237573.db2.gz CGWWZIGTMAFGML-MWLCHTKSSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958120940 664237576 /nfs/dbraw/zinc/23/75/76/664237576.db2.gz CGWWZIGTMAFGML-MWLCHTKSSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958121259 664237648 /nfs/dbraw/zinc/23/76/48/664237648.db2.gz FHYZZLBIWNBIMH-ZYHUDNBSSA-N 1 1 310.354 -1.192 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958105189 664237685 /nfs/dbraw/zinc/23/76/85/664237685.db2.gz FNTXVQWZGKFRPZ-PWSUYJOCSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958105189 664237687 /nfs/dbraw/zinc/23/76/87/664237687.db2.gz FNTXVQWZGKFRPZ-PWSUYJOCSA-N 1 1 309.370 -1.199 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121927 664237758 /nfs/dbraw/zinc/23/77/58/664237758.db2.gz NKWBJMOBSBLPDS-XCBNKYQSSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121927 664237760 /nfs/dbraw/zinc/23/77/60/664237760.db2.gz NKWBJMOBSBLPDS-XCBNKYQSSA-N 1 1 319.325 -2.139 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nn2c1OCCC2 ZINC000958122154 664237773 /nfs/dbraw/zinc/23/77/73/664237773.db2.gz QSFLZJKNOKREKW-NWDGAFQWSA-N 1 1 324.381 -1.011 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnccn1 ZINC000958119639 664237964 /nfs/dbraw/zinc/23/79/64/664237964.db2.gz IQEGNMMQSDACKS-PFWNZEGQSA-N 1 1 315.333 -1.058 20 0 DAADMO CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958111240 664238026 /nfs/dbraw/zinc/23/80/26/664238026.db2.gz MZIUCKCZASDMQY-VXGBXAGGSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958111240 664238028 /nfs/dbraw/zinc/23/80/28/664238028.db2.gz MZIUCKCZASDMQY-VXGBXAGGSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958111237 664238032 /nfs/dbraw/zinc/23/80/32/664238032.db2.gz MZIUCKCZASDMQY-NEPJUHHUSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958111237 664238034 /nfs/dbraw/zinc/23/80/34/664238034.db2.gz MZIUCKCZASDMQY-NEPJUHHUSA-N 1 1 322.365 -1.012 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126962 664238293 /nfs/dbraw/zinc/23/82/93/664238293.db2.gz UPAWLGOCPDXUMB-GXFFZTMASA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126962 664238294 /nfs/dbraw/zinc/23/82/94/664238294.db2.gz UPAWLGOCPDXUMB-GXFFZTMASA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC000958134885 664238316 /nfs/dbraw/zinc/23/83/16/664238316.db2.gz IPLCVXIHNKCNIN-CMPLNLGQSA-N 1 1 310.354 -1.320 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130599 664238334 /nfs/dbraw/zinc/23/83/34/664238334.db2.gz GZEILXPRARRLPT-GXFFZTMASA-N 1 1 322.365 -1.405 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130599 664238337 /nfs/dbraw/zinc/23/83/37/664238337.db2.gz GZEILXPRARRLPT-GXFFZTMASA-N 1 1 322.365 -1.405 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134728 664238450 /nfs/dbraw/zinc/23/84/50/664238450.db2.gz HOFSHYVGEXCENW-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134728 664238453 /nfs/dbraw/zinc/23/84/53/664238453.db2.gz HOFSHYVGEXCENW-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958127528 664238473 /nfs/dbraw/zinc/23/84/73/664238473.db2.gz ZQCNQPNXDKAIAN-KOLCDFICSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958127528 664238477 /nfs/dbraw/zinc/23/84/77/664238477.db2.gz ZQCNQPNXDKAIAN-KOLCDFICSA-N 1 1 324.385 -1.459 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC000958134886 664238616 /nfs/dbraw/zinc/23/86/16/664238616.db2.gz IPLCVXIHNKCNIN-JQWIXIFHSA-N 1 1 310.354 -1.320 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958135684 664238625 /nfs/dbraw/zinc/23/86/25/664238625.db2.gz RERYZJQWVQNSFH-NXEZZACHSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958135684 664238631 /nfs/dbraw/zinc/23/86/31/664238631.db2.gz RERYZJQWVQNSFH-NXEZZACHSA-N 1 1 310.358 -1.886 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC000958126964 664238704 /nfs/dbraw/zinc/23/87/04/664238704.db2.gz UPAWLGOCPDXUMB-ZWNOBZJWSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC000958126964 664238708 /nfs/dbraw/zinc/23/87/08/664238708.db2.gz UPAWLGOCPDXUMB-ZWNOBZJWSA-N 1 1 321.381 -1.402 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958135644 664238732 /nfs/dbraw/zinc/23/87/32/664238732.db2.gz QHXCXSROOWVKSS-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958135644 664238735 /nfs/dbraw/zinc/23/87/35/664238735.db2.gz QHXCXSROOWVKSS-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958131300 664238758 /nfs/dbraw/zinc/23/87/58/664238758.db2.gz RRCPSEPXTLKYPE-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958131300 664238761 /nfs/dbraw/zinc/23/87/61/664238761.db2.gz RRCPSEPXTLKYPE-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958135685 664239014 /nfs/dbraw/zinc/23/90/14/664239014.db2.gz RERYZJQWVQNSFH-UWVGGRQHSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958135685 664239018 /nfs/dbraw/zinc/23/90/18/664239018.db2.gz RERYZJQWVQNSFH-UWVGGRQHSA-N 1 1 310.358 -1.886 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC000958134887 664239047 /nfs/dbraw/zinc/23/90/47/664239047.db2.gz IPLCVXIHNKCNIN-PWSUYJOCSA-N 1 1 310.354 -1.320 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136058 664239121 /nfs/dbraw/zinc/23/91/21/664239121.db2.gz XRUGLMWNOQRUQQ-JOYOIKCWSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136058 664239125 /nfs/dbraw/zinc/23/91/25/664239125.db2.gz XRUGLMWNOQRUQQ-JOYOIKCWSA-N 1 1 318.337 -1.763 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958149292 664239426 /nfs/dbraw/zinc/23/94/26/664239426.db2.gz QTEYRILQBZUVAP-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958149292 664239430 /nfs/dbraw/zinc/23/94/30/664239430.db2.gz QTEYRILQBZUVAP-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958144791 664239445 /nfs/dbraw/zinc/23/94/45/664239445.db2.gz FMYLCQZHHGVQNL-MNOVXSKESA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958144791 664239448 /nfs/dbraw/zinc/23/94/48/664239448.db2.gz FMYLCQZHHGVQNL-MNOVXSKESA-N 1 1 322.365 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149195 664239540 /nfs/dbraw/zinc/23/95/40/664239540.db2.gz OYNCSVAGZFQCGG-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149195 664239545 /nfs/dbraw/zinc/23/95/45/664239545.db2.gz OYNCSVAGZFQCGG-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958144790 664239732 /nfs/dbraw/zinc/23/97/32/664239732.db2.gz FMYLCQZHHGVQNL-GHMZBOCLSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958144790 664239734 /nfs/dbraw/zinc/23/97/34/664239734.db2.gz FMYLCQZHHGVQNL-GHMZBOCLSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2ccncc12 ZINC000958145292 664239774 /nfs/dbraw/zinc/23/97/74/664239774.db2.gz JEMNLBOQBCGUKA-MFKMUULPSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149586 664239795 /nfs/dbraw/zinc/23/97/95/664239795.db2.gz UCZSBTCRNTYPCD-SCZZXKLOSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149586 664239798 /nfs/dbraw/zinc/23/97/98/664239798.db2.gz UCZSBTCRNTYPCD-SCZZXKLOSA-N 1 1 319.325 -2.139 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1C ZINC000958153467 664240189 /nfs/dbraw/zinc/24/01/89/664240189.db2.gz VBVLKVDOPXFJHJ-RISCZKNCSA-N 1 1 309.366 -1.291 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC000958152304 664240402 /nfs/dbraw/zinc/24/04/02/664240402.db2.gz NXEXMIQXEDFENV-YPMHNXCESA-N 1 1 324.381 -1.182 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155248 664240429 /nfs/dbraw/zinc/24/04/29/664240429.db2.gz BJXZMMQBWXJALV-KOLCDFICSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155248 664240432 /nfs/dbraw/zinc/24/04/32/664240432.db2.gz BJXZMMQBWXJALV-KOLCDFICSA-N 1 1 307.354 -1.663 20 0 DAADMO Cn1cnc2cncc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC000958151042 664240444 /nfs/dbraw/zinc/24/04/44/664240444.db2.gz DENKPQVVFBLXCL-GXFFZTMASA-N 1 1 319.365 -1.017 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC000958152058 664240486 /nfs/dbraw/zinc/24/04/86/664240486.db2.gz NEJZEARDVNBTST-JQWIXIFHSA-N 1 1 310.354 -1.572 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958150125 664240505 /nfs/dbraw/zinc/24/05/05/664240505.db2.gz YWNINQAXLZFMEI-CMPLNLGQSA-N 1 1 310.354 -1.551 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1C ZINC000958153468 664240521 /nfs/dbraw/zinc/24/05/21/664240521.db2.gz VBVLKVDOPXFJHJ-SMDDNHRTSA-N 1 1 309.366 -1.291 20 0 DAADMO Cn1cnc2cncc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC000958151041 664240649 /nfs/dbraw/zinc/24/06/49/664240649.db2.gz DENKPQVVFBLXCL-GWCFXTLKSA-N 1 1 319.365 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162873 664240804 /nfs/dbraw/zinc/24/08/04/664240804.db2.gz XMVSUMDLPBVIDM-IUCAKERBSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162873 664240806 /nfs/dbraw/zinc/24/08/06/664240806.db2.gz XMVSUMDLPBVIDM-IUCAKERBSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167743 664241077 /nfs/dbraw/zinc/24/10/77/664241077.db2.gz OUZAWPZFLRCPRG-WPRPVWTQSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167743 664241081 /nfs/dbraw/zinc/24/10/81/664241081.db2.gz OUZAWPZFLRCPRG-WPRPVWTQSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162004 664241155 /nfs/dbraw/zinc/24/11/55/664241155.db2.gz PECGLNOCANERDY-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162004 664241157 /nfs/dbraw/zinc/24/11/57/664241157.db2.gz PECGLNOCANERDY-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155760 664241198 /nfs/dbraw/zinc/24/11/98/664241198.db2.gz DNXSZPRUIBPTDR-QWRGUYRKSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155760 664241199 /nfs/dbraw/zinc/24/11/99/664241199.db2.gz DNXSZPRUIBPTDR-QWRGUYRKSA-N 1 1 323.353 -1.707 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[C@H]1CCCO1 ZINC000958157103 664241559 /nfs/dbraw/zinc/24/15/59/664241559.db2.gz NPPCKAALHVEFIK-XZUYRWCXSA-N 1 1 322.365 -1.236 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)[C@H](O)C1 ZINC000958176838 664241993 /nfs/dbraw/zinc/24/19/93/664241993.db2.gz ZGVDQVOWSZUYKW-GHMZBOCLSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)[C@H](O)C1 ZINC000958176838 664241995 /nfs/dbraw/zinc/24/19/95/664241995.db2.gz ZGVDQVOWSZUYKW-GHMZBOCLSA-N 1 1 318.337 -1.534 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958180527 664242057 /nfs/dbraw/zinc/24/20/57/664242057.db2.gz AAERUGBJJILESF-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nc[nH]c2n1 ZINC000958179482 664242080 /nfs/dbraw/zinc/24/20/80/664242080.db2.gz NQWXRGUNUWPVMN-BXKDBHETSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n[nH]cc2c1 ZINC000958174669 664242113 /nfs/dbraw/zinc/24/21/13/664242113.db2.gz GOKGSFWNURPQKY-NWDGAFQWSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180043 664242170 /nfs/dbraw/zinc/24/21/70/664242170.db2.gz XJDDLPNKUAOUFA-KCJUWKMLSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180043 664242173 /nfs/dbraw/zinc/24/21/73/664242173.db2.gz XJDDLPNKUAOUFA-KCJUWKMLSA-N 1 1 318.337 -1.534 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179576 664242353 /nfs/dbraw/zinc/24/23/53/664242353.db2.gz OZSILHVRHFGLSZ-QWRGUYRKSA-N 1 1 310.354 -1.186 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182876 664242514 /nfs/dbraw/zinc/24/25/14/664242514.db2.gz HVYCAMAWQXURAQ-RYUDHWBXSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182876 664242516 /nfs/dbraw/zinc/24/25/16/664242516.db2.gz HVYCAMAWQXURAQ-RYUDHWBXSA-N 1 1 322.365 -1.846 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC000958182538 664242526 /nfs/dbraw/zinc/24/25/26/664242526.db2.gz CBHLYANPECCPTR-NXEZZACHSA-N 1 1 317.367 -1.031 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958184101 664242554 /nfs/dbraw/zinc/24/25/54/664242554.db2.gz VDDPKTNSUMPHRH-QWRGUYRKSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958184101 664242557 /nfs/dbraw/zinc/24/25/57/664242557.db2.gz VDDPKTNSUMPHRH-QWRGUYRKSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC000958182678 664242788 /nfs/dbraw/zinc/24/27/88/664242788.db2.gz FADNQUAMTOOVJS-CHWSQXEVSA-N 1 1 309.366 -1.210 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)nn1C ZINC000958181543 664242839 /nfs/dbraw/zinc/24/28/39/664242839.db2.gz MQCORMPYZMJNDH-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)nn1C ZINC000958181543 664242843 /nfs/dbraw/zinc/24/28/43/664242843.db2.gz MQCORMPYZMJNDH-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cn1 ZINC000958193338 664243085 /nfs/dbraw/zinc/24/30/85/664243085.db2.gz SKXYASATXXOGPQ-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958190082 664243356 /nfs/dbraw/zinc/24/33/56/664243356.db2.gz APAFYEVDMLBJKA-CHWSQXEVSA-N 1 1 307.350 -1.200 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1Cl ZINC000958187171 664243494 /nfs/dbraw/zinc/24/34/94/664243494.db2.gz MQBMRNLLJUBSGU-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1Cl ZINC000958187171 664243495 /nfs/dbraw/zinc/24/34/95/664243495.db2.gz MQBMRNLLJUBSGU-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958198939 664243745 /nfs/dbraw/zinc/24/37/45/664243745.db2.gz CGCDETMIXURAMX-MNOVXSKESA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958198939 664243749 /nfs/dbraw/zinc/24/37/49/664243749.db2.gz CGCDETMIXURAMX-MNOVXSKESA-N 1 1 308.338 -1.402 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958203133 664243794 /nfs/dbraw/zinc/24/37/94/664243794.db2.gz NLGGBHADNJHGJC-BXKDBHETSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958203133 664243798 /nfs/dbraw/zinc/24/37/98/664243798.db2.gz NLGGBHADNJHGJC-BXKDBHETSA-N 1 1 309.370 -1.130 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)no1 ZINC000958199927 664243853 /nfs/dbraw/zinc/24/38/53/664243853.db2.gz NCRJVJOQSDNDFQ-MFKMUULPSA-N 1 1 312.370 -1.249 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958202667 664243949 /nfs/dbraw/zinc/24/39/49/664243949.db2.gz JVDUAXDMNPCGRT-QWRGUYRKSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958202667 664243953 /nfs/dbraw/zinc/24/39/53/664243953.db2.gz JVDUAXDMNPCGRT-QWRGUYRKSA-N 1 1 308.338 -2.107 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc(OC)c2)[C@H](O)C1 ZINC000958200312 664243970 /nfs/dbraw/zinc/24/39/70/664243970.db2.gz PVWMBWZFAQZLAD-VXGBXAGGSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(OC)c2)[C@H](O)C1 ZINC000958200312 664243972 /nfs/dbraw/zinc/24/39/72/664243972.db2.gz PVWMBWZFAQZLAD-VXGBXAGGSA-N 1 1 322.365 -1.141 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195656 664244358 /nfs/dbraw/zinc/24/43/58/664244358.db2.gz INYCMJHSUWIHQT-ONGXEEELSA-N 1 1 313.333 -1.640 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195656 664244359 /nfs/dbraw/zinc/24/43/59/664244359.db2.gz INYCMJHSUWIHQT-ONGXEEELSA-N 1 1 313.333 -1.640 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC000958206866 664244746 /nfs/dbraw/zinc/24/47/46/664244746.db2.gz OISIPYBTTDEPBV-PWSUYJOCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206866 664244754 /nfs/dbraw/zinc/24/47/54/664244754.db2.gz OISIPYBTTDEPBV-PWSUYJOCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206866 664244762 /nfs/dbraw/zinc/24/47/62/664244762.db2.gz OISIPYBTTDEPBV-PWSUYJOCSA-N 1 1 322.369 -1.550 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206518 664245755 /nfs/dbraw/zinc/24/57/55/664245755.db2.gz KZCIRZRJINYMEJ-MFKMUULPSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206518 664245759 /nfs/dbraw/zinc/24/57/59/664245759.db2.gz KZCIRZRJINYMEJ-MFKMUULPSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206518 664245762 /nfs/dbraw/zinc/24/57/62/664245762.db2.gz KZCIRZRJINYMEJ-MFKMUULPSA-N 1 1 319.369 -1.197 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205711 664245810 /nfs/dbraw/zinc/24/58/10/664245810.db2.gz DBCQYLAJPYNLHD-SKDRFNHKSA-N 1 1 321.381 -1.204 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205711 664245813 /nfs/dbraw/zinc/24/58/13/664245813.db2.gz DBCQYLAJPYNLHD-SKDRFNHKSA-N 1 1 321.381 -1.204 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](CNC(=O)c3cn[nH]n3)[C@H](O)C2)cn1 ZINC000958205565 664245983 /nfs/dbraw/zinc/24/59/83/664245983.db2.gz ATDUXLDWMBAPET-DGCLKSJQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC000958205565 664245985 /nfs/dbraw/zinc/24/59/85/664245985.db2.gz ATDUXLDWMBAPET-DGCLKSJQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](CNC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC000958205565 664245988 /nfs/dbraw/zinc/24/59/88/664245988.db2.gz ATDUXLDWMBAPET-DGCLKSJQSA-N 1 1 319.369 -1.197 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)cnn1C ZINC000958210739 664246246 /nfs/dbraw/zinc/24/62/46/664246246.db2.gz RBHPVMWCGPFLDZ-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)cnn1C ZINC000958210739 664246249 /nfs/dbraw/zinc/24/62/49/664246249.db2.gz RBHPVMWCGPFLDZ-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958210825 664246259 /nfs/dbraw/zinc/24/62/59/664246259.db2.gz SMZPXUHANOGETC-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958210825 664246262 /nfs/dbraw/zinc/24/62/62/664246262.db2.gz SMZPXUHANOGETC-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210331 664246300 /nfs/dbraw/zinc/24/63/00/664246300.db2.gz LCCZFOKQAMUNHF-JOYOIKCWSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210331 664246305 /nfs/dbraw/zinc/24/63/05/664246305.db2.gz LCCZFOKQAMUNHF-JOYOIKCWSA-N 1 1 321.381 -1.333 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC000958210620 664246473 /nfs/dbraw/zinc/24/64/73/664246473.db2.gz OYMSIAMVJCJKPA-LDYMZIIASA-N 1 1 307.354 -1.594 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC000958210620 664246478 /nfs/dbraw/zinc/24/64/78/664246478.db2.gz OYMSIAMVJCJKPA-LDYMZIIASA-N 1 1 307.354 -1.594 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)cnn1C ZINC000958210737 664246756 /nfs/dbraw/zinc/24/67/56/664246756.db2.gz RBHPVMWCGPFLDZ-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)cnn1C ZINC000958210737 664246761 /nfs/dbraw/zinc/24/67/61/664246761.db2.gz RBHPVMWCGPFLDZ-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)cnn1C ZINC000958210738 664247003 /nfs/dbraw/zinc/24/70/03/664247003.db2.gz RBHPVMWCGPFLDZ-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)cnn1C ZINC000958210738 664247008 /nfs/dbraw/zinc/24/70/08/664247008.db2.gz RBHPVMWCGPFLDZ-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210330 664247084 /nfs/dbraw/zinc/24/70/84/664247084.db2.gz LCCZFOKQAMUNHF-CABZTGNLSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210330 664247087 /nfs/dbraw/zinc/24/70/87/664247087.db2.gz LCCZFOKQAMUNHF-CABZTGNLSA-N 1 1 321.381 -1.333 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958210827 664247384 /nfs/dbraw/zinc/24/73/84/664247384.db2.gz SMZPXUHANOGETC-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958210827 664247387 /nfs/dbraw/zinc/24/73/87/664247387.db2.gz SMZPXUHANOGETC-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ncnc2[nH]ccc21 ZINC000958220168 664247671 /nfs/dbraw/zinc/24/76/71/664247671.db2.gz ULQWFIRHBZHKFB-MWLCHTKSSA-N 1 1 305.338 -1.076 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn2cccnc2n1 ZINC000958215180 664247678 /nfs/dbraw/zinc/24/76/78/664247678.db2.gz UEBKPILBEXBELX-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219770 664247766 /nfs/dbraw/zinc/24/77/66/664247766.db2.gz NHBKBEZYLSXJKF-GXSJLCMTSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219770 664247769 /nfs/dbraw/zinc/24/77/69/664247769.db2.gz NHBKBEZYLSXJKF-GXSJLCMTSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214299 664247912 /nfs/dbraw/zinc/24/79/12/664247912.db2.gz FYJVLGXPWQEVDP-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214299 664247917 /nfs/dbraw/zinc/24/79/17/664247917.db2.gz FYJVLGXPWQEVDP-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958220493 664247962 /nfs/dbraw/zinc/24/79/62/664247962.db2.gz ZCVKNZLIXIMOAN-YPMHNXCESA-N 1 1 324.381 -1.471 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219609 664248025 /nfs/dbraw/zinc/24/80/25/664248025.db2.gz KWSNNELBKFCZSK-SCZZXKLOSA-N 1 1 318.337 -1.583 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219609 664248030 /nfs/dbraw/zinc/24/80/30/664248030.db2.gz KWSNNELBKFCZSK-SCZZXKLOSA-N 1 1 318.337 -1.583 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219771 664248153 /nfs/dbraw/zinc/24/81/53/664248153.db2.gz NHBKBEZYLSXJKF-KOLCDFICSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219771 664248157 /nfs/dbraw/zinc/24/81/57/664248157.db2.gz NHBKBEZYLSXJKF-KOLCDFICSA-N 1 1 323.353 -1.827 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(n1)OCCO2 ZINC000958214816 664248165 /nfs/dbraw/zinc/24/81/65/664248165.db2.gz NFTYWSTYVCIBLD-PWSUYJOCSA-N 1 1 323.349 -1.132 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958219946 664248289 /nfs/dbraw/zinc/24/82/89/664248289.db2.gz QFXOTKQMAYGBIA-GXSJLCMTSA-N 1 1 323.353 -2.368 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958219946 664248290 /nfs/dbraw/zinc/24/82/90/664248290.db2.gz QFXOTKQMAYGBIA-GXSJLCMTSA-N 1 1 323.353 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215875 664248338 /nfs/dbraw/zinc/24/83/38/664248338.db2.gz YFPSVWWAKXDVAR-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215875 664248340 /nfs/dbraw/zinc/24/83/40/664248340.db2.gz YFPSVWWAKXDVAR-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cn2cccnc2n1 ZINC000958215178 664248405 /nfs/dbraw/zinc/24/84/05/664248405.db2.gz UEBKPILBEXBELX-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223753 664248433 /nfs/dbraw/zinc/24/84/33/664248433.db2.gz QFJSQEVCYYSXOL-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223753 664248434 /nfs/dbraw/zinc/24/84/34/664248434.db2.gz QFJSQEVCYYSXOL-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1O ZINC000958227475 664248752 /nfs/dbraw/zinc/24/87/52/664248752.db2.gz FOLXRALLJBCZKY-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC000958227475 664248756 /nfs/dbraw/zinc/24/87/56/664248756.db2.gz FOLXRALLJBCZKY-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958228684 664248924 /nfs/dbraw/zinc/24/89/24/664248924.db2.gz RVGJFLKGXMHYBC-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO CCc1nnsc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958231622 664249513 /nfs/dbraw/zinc/24/95/13/664249513.db2.gz DGIZRCGMCLZMFM-IONNQARKSA-N 1 1 313.383 -1.392 20 0 DAADMO CCc1nnsc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958231622 664249515 /nfs/dbraw/zinc/24/95/15/664249515.db2.gz DGIZRCGMCLZMFM-IONNQARKSA-N 1 1 313.383 -1.392 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958243014 664249813 /nfs/dbraw/zinc/24/98/13/664249813.db2.gz HDPDFBJWJGXDEM-GHMZBOCLSA-N 1 1 323.349 -1.236 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958243014 664249817 /nfs/dbraw/zinc/24/98/17/664249817.db2.gz HDPDFBJWJGXDEM-GHMZBOCLSA-N 1 1 323.349 -1.236 20 0 DAADMO COCc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC000958244481 664249902 /nfs/dbraw/zinc/24/99/02/664249902.db2.gz RYXZEFZKVODNAG-GXSJLCMTSA-N 1 1 311.338 -1.066 20 0 DAADMO COCc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC000958244481 664249904 /nfs/dbraw/zinc/24/99/04/664249904.db2.gz RYXZEFZKVODNAG-GXSJLCMTSA-N 1 1 311.338 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240203 664249922 /nfs/dbraw/zinc/24/99/22/664249922.db2.gz YNCAKRWUMZYBGM-DTWKUNHWSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240203 664249925 /nfs/dbraw/zinc/24/99/25/664249925.db2.gz YNCAKRWUMZYBGM-DTWKUNHWSA-N 1 1 324.337 -1.853 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC000958248655 664249949 /nfs/dbraw/zinc/24/99/49/664249949.db2.gz MPLPXRGGKWERHK-MWLCHTKSSA-N 1 1 320.353 -1.242 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234997 664250092 /nfs/dbraw/zinc/25/00/92/664250092.db2.gz DNXFSWWRWKNUOW-RYUDHWBXSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234997 664250095 /nfs/dbraw/zinc/25/00/95/664250095.db2.gz DNXFSWWRWKNUOW-RYUDHWBXSA-N 1 1 322.365 -1.141 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000958248654 664250238 /nfs/dbraw/zinc/25/02/38/664250238.db2.gz MPLPXRGGKWERHK-KOLCDFICSA-N 1 1 320.353 -1.242 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)[C@H](O)C1 ZINC000958239495 664250241 /nfs/dbraw/zinc/25/02/41/664250241.db2.gz PTUPOEZZHZMROJ-DGCLKSJQSA-N 1 1 324.381 -1.068 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958243587 664250519 /nfs/dbraw/zinc/25/05/19/664250519.db2.gz KSWHPIOBDNJMBM-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958243587 664250522 /nfs/dbraw/zinc/25/05/22/664250522.db2.gz KSWHPIOBDNJMBM-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000958236726 664250587 /nfs/dbraw/zinc/25/05/87/664250587.db2.gz ACMDUGCJHLQHRK-IMRBUKKESA-N 1 1 318.381 -1.045 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958253646 664250784 /nfs/dbraw/zinc/25/07/84/664250784.db2.gz IZUHRQJIWIEFJD-NWDGAFQWSA-N 1 1 320.353 -1.207 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2nccn2c1 ZINC000958254385 664250813 /nfs/dbraw/zinc/25/08/13/664250813.db2.gz OOWDKKUMZVSKNB-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC000958254600 664250868 /nfs/dbraw/zinc/25/08/68/664250868.db2.gz QNDLKBAOHLWCFQ-NEPJUHHUSA-N 1 1 320.353 -1.471 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC000958263058 664251046 /nfs/dbraw/zinc/25/10/46/664251046.db2.gz NASCKXONIHLIDU-CABZTGNLSA-N 1 1 311.338 -1.602 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259109 664251077 /nfs/dbraw/zinc/25/10/77/664251077.db2.gz ZBIMOBFFHKDMCD-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259109 664251078 /nfs/dbraw/zinc/25/10/78/664251078.db2.gz ZBIMOBFFHKDMCD-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258647 664251104 /nfs/dbraw/zinc/25/11/04/664251104.db2.gz UVVYGZCXKMINIO-RYUDHWBXSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258647 664251106 /nfs/dbraw/zinc/25/11/06/664251106.db2.gz UVVYGZCXKMINIO-RYUDHWBXSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncc3ccccn32)[C@H](O)C1 ZINC000958259112 664251124 /nfs/dbraw/zinc/25/11/24/664251124.db2.gz ZBIMOBFFHKDMCD-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncc3ccccn32)[C@H](O)C1 ZINC000958259112 664251125 /nfs/dbraw/zinc/25/11/25/664251125.db2.gz ZBIMOBFFHKDMCD-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958255148 664251127 /nfs/dbraw/zinc/25/11/27/664251127.db2.gz VNWXHUYEANAMHR-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958255148 664251128 /nfs/dbraw/zinc/25/11/28/664251128.db2.gz VNWXHUYEANAMHR-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC000958254114 664251135 /nfs/dbraw/zinc/25/11/35/664251135.db2.gz MNQQUKRVINFDRZ-GHMZBOCLSA-N 1 1 306.326 -1.861 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958258302 664251221 /nfs/dbraw/zinc/25/12/21/664251221.db2.gz PCCIBVZSIBWCGI-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958258302 664251222 /nfs/dbraw/zinc/25/12/22/664251222.db2.gz PCCIBVZSIBWCGI-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC000958254117 664251298 /nfs/dbraw/zinc/25/12/98/664251298.db2.gz MNQQUKRVINFDRZ-WDEREUQCSA-N 1 1 306.326 -1.861 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958250246 664251315 /nfs/dbraw/zinc/25/13/15/664251315.db2.gz ZBFDWNWKINLEDD-RISCZKNCSA-N 1 1 309.366 -1.210 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC000958255450 664251330 /nfs/dbraw/zinc/25/13/30/664251330.db2.gz YKOQFUGMWWCANW-CMPLNLGQSA-N 1 1 310.354 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273771 664251620 /nfs/dbraw/zinc/25/16/20/664251620.db2.gz RQVWSHFBINTODM-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273771 664251622 /nfs/dbraw/zinc/25/16/22/664251622.db2.gz RQVWSHFBINTODM-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958267363 664251725 /nfs/dbraw/zinc/25/17/25/664251725.db2.gz MWCKPEPSAKJRKN-ZYHUDNBSSA-N 1 1 320.353 -1.622 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC000958273772 664251785 /nfs/dbraw/zinc/25/17/85/664251785.db2.gz RQVWSHFBINTODM-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC000958273772 664251788 /nfs/dbraw/zinc/25/17/88/664251788.db2.gz RQVWSHFBINTODM-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc(=O)[nH]1 ZINC000958267332 664251814 /nfs/dbraw/zinc/25/18/14/664251814.db2.gz MLOVZZGXBOQZSD-CMPLNLGQSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc(=O)[nH]1 ZINC000958267332 664251821 /nfs/dbraw/zinc/25/18/21/664251821.db2.gz MLOVZZGXBOQZSD-CMPLNLGQSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc(=O)[nH]1 ZINC000958267333 664252023 /nfs/dbraw/zinc/25/20/23/664252023.db2.gz MLOVZZGXBOQZSD-JQWIXIFHSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc(=O)[nH]1 ZINC000958267333 664252024 /nfs/dbraw/zinc/25/20/24/664252024.db2.gz MLOVZZGXBOQZSD-JQWIXIFHSA-N 1 1 322.365 -1.143 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273773 664252037 /nfs/dbraw/zinc/25/20/37/664252037.db2.gz RQVWSHFBINTODM-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273773 664252038 /nfs/dbraw/zinc/25/20/38/664252038.db2.gz RQVWSHFBINTODM-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1csnn1 ZINC000958289202 664252383 /nfs/dbraw/zinc/25/23/83/664252383.db2.gz SYMRZLUBEVDQAE-KOLCDFICSA-N 1 1 323.382 -1.148 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278761 664252780 /nfs/dbraw/zinc/25/27/80/664252780.db2.gz WUIQUOKQFFCKRR-IUCAKERBSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278761 664252783 /nfs/dbraw/zinc/25/27/83/664252783.db2.gz WUIQUOKQFFCKRR-IUCAKERBSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290463 664252920 /nfs/dbraw/zinc/25/29/20/664252920.db2.gz BGBMWLLXEHZKFT-SKDRFNHKSA-N 1 1 323.349 -1.140 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290463 664252924 /nfs/dbraw/zinc/25/29/24/664252924.db2.gz BGBMWLLXEHZKFT-SKDRFNHKSA-N 1 1 323.349 -1.140 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958289415 664252937 /nfs/dbraw/zinc/25/29/37/664252937.db2.gz VHSXAKYXOVAXJZ-WCBMZHEXSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958289415 664252940 /nfs/dbraw/zinc/25/29/40/664252940.db2.gz VHSXAKYXOVAXJZ-WCBMZHEXSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1COCCO1 ZINC000958293471 664253292 /nfs/dbraw/zinc/25/32/92/664253292.db2.gz YQPUHNHVZBJYRZ-XQHKEYJVSA-N 1 1 307.354 -1.260 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnco1 ZINC000958298391 664253302 /nfs/dbraw/zinc/25/33/02/664253302.db2.gz ZNKLGKUZCFZSKD-QWRGUYRKSA-N 1 1 323.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccn[nH]1 ZINC000958296747 664253428 /nfs/dbraw/zinc/25/34/28/664253428.db2.gz BNWIMTHKSZVTJJ-CCCLYZFWSA-N 1 1 303.322 -1.125 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnco1 ZINC000958298390 664253510 /nfs/dbraw/zinc/25/35/10/664253510.db2.gz ZNKLGKUZCFZSKD-MNOVXSKESA-N 1 1 323.353 -1.278 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296206 664253640 /nfs/dbraw/zinc/25/36/40/664253640.db2.gz DATKNZNPXFDAQL-NWDGAFQWSA-N 1 1 323.397 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296206 664253642 /nfs/dbraw/zinc/25/36/42/664253642.db2.gz DATKNZNPXFDAQL-NWDGAFQWSA-N 1 1 323.397 -1.195 20 0 DAADMO CCCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958304386 664253935 /nfs/dbraw/zinc/25/39/35/664253935.db2.gz NMTBHFHTEHPIAW-SKDRFNHKSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958304386 664253936 /nfs/dbraw/zinc/25/39/36/664253936.db2.gz NMTBHFHTEHPIAW-SKDRFNHKSA-N 1 1 309.370 -1.130 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958304954 664254021 /nfs/dbraw/zinc/25/40/21/664254021.db2.gz WVJLDMKHMJUBLW-WDEREUQCSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958304954 664254024 /nfs/dbraw/zinc/25/40/24/664254024.db2.gz WVJLDMKHMJUBLW-WDEREUQCSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958300848 664254329 /nfs/dbraw/zinc/25/43/29/664254329.db2.gz XDPCHPKETUQLCL-WDEREUQCSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958300848 664254331 /nfs/dbraw/zinc/25/43/31/664254331.db2.gz XDPCHPKETUQLCL-WDEREUQCSA-N 1 1 322.365 -1.088 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958309006 664254418 /nfs/dbraw/zinc/25/44/18/664254418.db2.gz FGMGLEMGRMYCNV-JQWIXIFHSA-N 1 1 312.370 -1.166 20 0 DAADMO COc1ccnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958314027 664254715 /nfs/dbraw/zinc/25/47/15/664254715.db2.gz YKVWDKKPALKGEH-CABZTGNLSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958314027 664254716 /nfs/dbraw/zinc/25/47/16/664254716.db2.gz YKVWDKKPALKGEH-CABZTGNLSA-N 1 1 308.338 -1.402 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315853 664254758 /nfs/dbraw/zinc/25/47/58/664254758.db2.gz BTEXTIQAVMTBSN-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315853 664254761 /nfs/dbraw/zinc/25/47/61/664254761.db2.gz BTEXTIQAVMTBSN-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315855 664255183 /nfs/dbraw/zinc/25/51/83/664255183.db2.gz BTEXTIQAVMTBSN-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315855 664255184 /nfs/dbraw/zinc/25/51/84/664255184.db2.gz BTEXTIQAVMTBSN-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310304 664255328 /nfs/dbraw/zinc/25/53/28/664255328.db2.gz ZOZFEJDGHMKSGO-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310304 664255331 /nfs/dbraw/zinc/25/53/31/664255331.db2.gz ZOZFEJDGHMKSGO-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313955 664255426 /nfs/dbraw/zinc/25/54/26/664255426.db2.gz XQUNCNMXKZWBCD-GXFFZTMASA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313955 664255428 /nfs/dbraw/zinc/25/54/28/664255428.db2.gz XQUNCNMXKZWBCD-GXFFZTMASA-N 1 1 322.365 -1.141 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958313657 664255540 /nfs/dbraw/zinc/25/55/40/664255540.db2.gz SLGCQUVHHJILSW-ZJUUUORDSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958313657 664255543 /nfs/dbraw/zinc/25/55/43/664255543.db2.gz SLGCQUVHHJILSW-ZJUUUORDSA-N 1 1 310.358 -1.776 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958317139 664255712 /nfs/dbraw/zinc/25/57/12/664255712.db2.gz SNSJMTSYJVLBCO-WPRPVWTQSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958317139 664255713 /nfs/dbraw/zinc/25/57/13/664255713.db2.gz SNSJMTSYJVLBCO-WPRPVWTQSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC000958317006 664255737 /nfs/dbraw/zinc/25/57/37/664255737.db2.gz QPTAQXDMJKSVNE-PWSUYJOCSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC000958316324 664255787 /nfs/dbraw/zinc/25/57/87/664255787.db2.gz GWYNQEZSGURHSQ-GHMZBOCLSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC000958316324 664255790 /nfs/dbraw/zinc/25/57/90/664255790.db2.gz GWYNQEZSGURHSQ-GHMZBOCLSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC000958317176 664255807 /nfs/dbraw/zinc/25/58/07/664255807.db2.gz UCQWAGCMEXRLHO-CMPLNLGQSA-N 1 1 322.365 -1.082 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316769 664255835 /nfs/dbraw/zinc/25/58/35/664255835.db2.gz NSCVANCCZPDOJP-DTWKUNHWSA-N 1 1 311.346 -2.679 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316769 664255839 /nfs/dbraw/zinc/25/58/39/664255839.db2.gz NSCVANCCZPDOJP-DTWKUNHWSA-N 1 1 311.346 -2.679 20 0 DAADMO Cc1nocc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316681 664256405 /nfs/dbraw/zinc/25/64/05/664256405.db2.gz MODYSBMTJMDYRY-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nocc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316681 664256409 /nfs/dbraw/zinc/25/64/09/664256409.db2.gz MODYSBMTJMDYRY-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC000958318544 664256923 /nfs/dbraw/zinc/25/69/23/664256923.db2.gz FAJLSPYJSCPHAS-PSASIEDQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC000958318544 664256925 /nfs/dbraw/zinc/25/69/25/664256925.db2.gz FAJLSPYJSCPHAS-PSASIEDQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318546 664257325 /nfs/dbraw/zinc/25/73/25/664257325.db2.gz FAJLSPYJSCPHAS-WCBMZHEXSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318546 664257327 /nfs/dbraw/zinc/25/73/27/664257327.db2.gz FAJLSPYJSCPHAS-WCBMZHEXSA-N 1 1 311.342 -2.106 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319353 664257334 /nfs/dbraw/zinc/25/73/34/664257334.db2.gz KWAOUGSXECDHAM-PYISLEMLSA-N 1 1 323.393 -1.434 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319353 664257336 /nfs/dbraw/zinc/25/73/36/664257336.db2.gz KWAOUGSXECDHAM-PYISLEMLSA-N 1 1 323.393 -1.434 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319371 664257589 /nfs/dbraw/zinc/25/75/89/664257589.db2.gz KXFQRZMXGFFDCX-DDNMXHNFSA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319371 664257591 /nfs/dbraw/zinc/25/75/91/664257591.db2.gz KXFQRZMXGFFDCX-DDNMXHNFSA-N 1 1 321.381 -1.384 20 0 DAADMO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328365 664257895 /nfs/dbraw/zinc/25/78/95/664257895.db2.gz FDKWQZOBNNPZKW-WDEREUQCSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1oncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328365 664257899 /nfs/dbraw/zinc/25/78/99/664257899.db2.gz FDKWQZOBNNPZKW-WDEREUQCSA-N 1 1 321.341 -1.271 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958324856 664257950 /nfs/dbraw/zinc/25/79/50/664257950.db2.gz LJRJWAPTKMUTHS-PDWCTOEPSA-N 1 1 321.381 -1.421 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC000958321190 664258010 /nfs/dbraw/zinc/25/80/10/664258010.db2.gz UFFCJWGEFSQEJX-WDEREUQCSA-N 1 1 306.326 -1.861 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)n1 ZINC000958328902 664258085 /nfs/dbraw/zinc/25/80/85/664258085.db2.gz OXSKORQETCTQSZ-NEPJUHHUSA-N 1 1 324.385 -1.341 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC000958321780 664258232 /nfs/dbraw/zinc/25/82/32/664258232.db2.gz WPVSHYACBOXYIK-RYUDHWBXSA-N 1 1 320.353 -1.471 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2O)n1 ZINC000958328586 664258242 /nfs/dbraw/zinc/25/82/42/664258242.db2.gz JPUAXBQXNACPQL-PSASIEDQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2O)n1 ZINC000958328586 664258245 /nfs/dbraw/zinc/25/82/45/664258245.db2.gz JPUAXBQXNACPQL-PSASIEDQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958328581 664258281 /nfs/dbraw/zinc/25/82/81/664258281.db2.gz JKEMZKXCHAZTSN-WDEREUQCSA-N 1 1 320.357 -1.871 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1ccon1 ZINC000958332303 664258727 /nfs/dbraw/zinc/25/87/27/664258727.db2.gz YIODWALOTWQCTM-GDGBQDQQSA-N 1 1 319.321 -1.114 20 0 DAADMO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329175 664258915 /nfs/dbraw/zinc/25/89/15/664258915.db2.gz TZKFCTHTJCABSM-UWVGGRQHSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncoc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329175 664258919 /nfs/dbraw/zinc/25/89/19/664258919.db2.gz TZKFCTHTJCABSM-UWVGGRQHSA-N 1 1 321.341 -1.271 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC000958339555 664258943 /nfs/dbraw/zinc/25/89/43/664258943.db2.gz MYDNWDYGTXXBAB-NXEZZACHSA-N 1 1 323.353 -1.741 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)[C@H](O)C1 ZINC000958339555 664258947 /nfs/dbraw/zinc/25/89/47/664258947.db2.gz MYDNWDYGTXXBAB-NXEZZACHSA-N 1 1 323.353 -1.741 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339558 664258967 /nfs/dbraw/zinc/25/89/67/664258967.db2.gz MYDNWDYGTXXBAB-ZJUUUORDSA-N 1 1 323.353 -1.741 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339558 664258969 /nfs/dbraw/zinc/25/89/69/664258969.db2.gz MYDNWDYGTXXBAB-ZJUUUORDSA-N 1 1 323.353 -1.741 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334734 664259072 /nfs/dbraw/zinc/25/90/72/664259072.db2.gz PORHALZEGODILM-XPUUQOCRSA-N 1 1 300.340 -1.644 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334734 664259076 /nfs/dbraw/zinc/25/90/76/664259076.db2.gz PORHALZEGODILM-XPUUQOCRSA-N 1 1 300.340 -1.644 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958349358 664260609 /nfs/dbraw/zinc/26/06/09/664260609.db2.gz IVDLEZQAPPIXIF-KOLCDFICSA-N 1 1 311.338 -1.678 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346098 664260645 /nfs/dbraw/zinc/26/06/45/664260645.db2.gz VYAQIFVXFDVPSU-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346098 664260647 /nfs/dbraw/zinc/26/06/47/664260647.db2.gz VYAQIFVXFDVPSU-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346296 664260652 /nfs/dbraw/zinc/26/06/52/664260652.db2.gz XWRMBSSNGDAZJG-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346296 664260655 /nfs/dbraw/zinc/26/06/55/664260655.db2.gz XWRMBSSNGDAZJG-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356681 664260930 /nfs/dbraw/zinc/26/09/30/664260930.db2.gz QYIHWVJGLKSANT-GXSJLCMTSA-N 1 1 323.353 -2.119 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356681 664260932 /nfs/dbraw/zinc/26/09/32/664260932.db2.gz QYIHWVJGLKSANT-GXSJLCMTSA-N 1 1 323.353 -2.119 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc(C)n1 ZINC000958355207 664261054 /nfs/dbraw/zinc/26/10/54/664261054.db2.gz MAZNNDWUSWNEDM-VXGBXAGGSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc(C)n1 ZINC000958355207 664261055 /nfs/dbraw/zinc/26/10/55/664261055.db2.gz MAZNNDWUSWNEDM-VXGBXAGGSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000958350857 664261158 /nfs/dbraw/zinc/26/11/58/664261158.db2.gz VDLBCMWPPCKFQD-LDYMZIIASA-N 1 1 321.337 -1.322 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccnc2OC)[C@H](O)C1 ZINC000958373912 664262058 /nfs/dbraw/zinc/26/20/58/664262058.db2.gz JEEOXLZKBYWPBC-ZYHUDNBSSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccnc2OC)[C@H](O)C1 ZINC000958373912 664262061 /nfs/dbraw/zinc/26/20/61/664262061.db2.gz JEEOXLZKBYWPBC-ZYHUDNBSSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC000958377823 664262087 /nfs/dbraw/zinc/26/20/87/664262087.db2.gz FLIBTVROWRHJQI-PSASIEDQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC000958377823 664262092 /nfs/dbraw/zinc/26/20/92/664262092.db2.gz FLIBTVROWRHJQI-PSASIEDQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377824 664262254 /nfs/dbraw/zinc/26/22/54/664262254.db2.gz FLIBTVROWRHJQI-SCZZXKLOSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377824 664262257 /nfs/dbraw/zinc/26/22/57/664262257.db2.gz FLIBTVROWRHJQI-SCZZXKLOSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373911 664262274 /nfs/dbraw/zinc/26/22/74/664262274.db2.gz JEEOXLZKBYWPBC-PWSUYJOCSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373911 664262276 /nfs/dbraw/zinc/26/22/76/664262276.db2.gz JEEOXLZKBYWPBC-PWSUYJOCSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377825 664262327 /nfs/dbraw/zinc/26/23/27/664262327.db2.gz FLIBTVROWRHJQI-WCBMZHEXSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377825 664262329 /nfs/dbraw/zinc/26/23/29/664262329.db2.gz FLIBTVROWRHJQI-WCBMZHEXSA-N 1 1 311.342 -2.106 20 0 DAADMO Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC000958379584 664262333 /nfs/dbraw/zinc/26/23/33/664262333.db2.gz WRUFYLROHWPETM-XZUYRWCXSA-N 1 1 320.397 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 ZINC000958390828 664262930 /nfs/dbraw/zinc/26/29/30/664262930.db2.gz UIXDJAWPQCWJKX-NXEZZACHSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 ZINC000958390828 664262932 /nfs/dbraw/zinc/26/29/32/664262932.db2.gz UIXDJAWPQCWJKX-NXEZZACHSA-N 1 1 324.337 -1.853 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1n[nH]cc1F ZINC000958385587 664262986 /nfs/dbraw/zinc/26/29/86/664262986.db2.gz VZDYZIAGSQZZAU-GXSJLCMTSA-N 1 1 323.332 -1.137 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1n[nH]cc1F ZINC000958385589 664263270 /nfs/dbraw/zinc/26/32/70/664263270.db2.gz VZDYZIAGSQZZAU-MWLCHTKSSA-N 1 1 323.332 -1.137 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958395096 664263513 /nfs/dbraw/zinc/26/35/13/664263513.db2.gz ODHSKFLQZQMCKT-MWLCHTKSSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958395096 664263517 /nfs/dbraw/zinc/26/35/17/664263517.db2.gz ODHSKFLQZQMCKT-MWLCHTKSSA-N 1 1 308.338 -1.397 20 0 DAADMO Cn1cnc2ccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nc21 ZINC000958395456 664263556 /nfs/dbraw/zinc/26/35/56/664263556.db2.gz VALDEPDEXFOLKY-MFKMUULPSA-N 1 1 319.365 -1.017 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958395670 664263765 /nfs/dbraw/zinc/26/37/65/664263765.db2.gz YJCRLQAVSGVYID-AAEUAGOBSA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958395672 664263783 /nfs/dbraw/zinc/26/37/83/664263783.db2.gz YJCRLQAVSGVYID-WCQYABFASA-N 1 1 309.366 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(=O)n2C)[C@H](O)C1 ZINC000958395025 664263867 /nfs/dbraw/zinc/26/38/67/664263867.db2.gz NCKNPPQRKHLOCD-ZYHUDNBSSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(=O)n2C)[C@H](O)C1 ZINC000958395025 664263872 /nfs/dbraw/zinc/26/38/72/664263872.db2.gz NCKNPPQRKHLOCD-ZYHUDNBSSA-N 1 1 322.365 -1.846 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nnn1CC ZINC000958405801 664263888 /nfs/dbraw/zinc/26/38/88/664263888.db2.gz WDAASLORBXEEOV-GXSJLCMTSA-N 1 1 324.385 -1.632 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nnn1CC ZINC000958405801 664263892 /nfs/dbraw/zinc/26/38/92/664263892.db2.gz WDAASLORBXEEOV-GXSJLCMTSA-N 1 1 324.385 -1.632 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cccc1=O ZINC000958395352 664264038 /nfs/dbraw/zinc/26/40/38/664264038.db2.gz SYGDDMNYFRBNRZ-MWLCHTKSSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cccc1=O ZINC000958395352 664264040 /nfs/dbraw/zinc/26/40/40/664264040.db2.gz SYGDDMNYFRBNRZ-MWLCHTKSSA-N 1 1 308.338 -2.107 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395069 664264083 /nfs/dbraw/zinc/26/40/83/664264083.db2.gz NSHOCCDQRMTLHN-RCOVLWMOSA-N 1 1 317.296 -1.145 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395069 664264087 /nfs/dbraw/zinc/26/40/87/664264087.db2.gz NSHOCCDQRMTLHN-RCOVLWMOSA-N 1 1 317.296 -1.145 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000958406374 664264418 /nfs/dbraw/zinc/26/44/18/664264418.db2.gz VJKGUWQYBUWECV-XZUYRWCXSA-N 1 1 304.354 -1.360 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000958406374 664264423 /nfs/dbraw/zinc/26/44/23/664264423.db2.gz VJKGUWQYBUWECV-XZUYRWCXSA-N 1 1 304.354 -1.360 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409522 664264535 /nfs/dbraw/zinc/26/45/35/664264535.db2.gz UOPAHPFBOMVZTI-JOYOIKCWSA-N 1 1 310.354 -1.218 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000958414956 664264570 /nfs/dbraw/zinc/26/45/70/664264570.db2.gz NBDJKSAGWIHHTM-SRRSOLGSSA-N 1 1 305.386 -1.149 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958409520 664264644 /nfs/dbraw/zinc/26/46/44/664264644.db2.gz UOPAHPFBOMVZTI-BXKDBHETSA-N 1 1 310.354 -1.218 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1 ZINC000958423709 664265104 /nfs/dbraw/zinc/26/51/04/664265104.db2.gz PSVGUURPFAKZKZ-VXGBXAGGSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1 ZINC000958423709 664265105 /nfs/dbraw/zinc/26/51/05/664265105.db2.gz PSVGUURPFAKZKZ-VXGBXAGGSA-N 1 1 307.354 -1.413 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958431234 664265443 /nfs/dbraw/zinc/26/54/43/664265443.db2.gz FDMDJXCNAPYLOQ-IAZYJMLFSA-N 1 1 316.365 -1.049 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958431234 664265445 /nfs/dbraw/zinc/26/54/45/664265445.db2.gz FDMDJXCNAPYLOQ-IAZYJMLFSA-N 1 1 316.365 -1.049 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958429624 664265471 /nfs/dbraw/zinc/26/54/71/664265471.db2.gz LHCOAONBJLELGQ-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958429624 664265472 /nfs/dbraw/zinc/26/54/72/664265472.db2.gz LHCOAONBJLELGQ-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958436023 664265975 /nfs/dbraw/zinc/26/59/75/664265975.db2.gz SRGSFMVZSYQIRU-ONGXEEELSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958436023 664265982 /nfs/dbraw/zinc/26/59/82/664265982.db2.gz SRGSFMVZSYQIRU-ONGXEEELSA-N 1 1 308.338 -1.397 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2cccnn21 ZINC000958454600 664266922 /nfs/dbraw/zinc/26/69/22/664266922.db2.gz XLVXYIMDTHFSRE-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nnn1C ZINC000958461183 664267232 /nfs/dbraw/zinc/26/72/32/664267232.db2.gz OJQWQKCWTRWKFP-IWIIMEHWSA-N 1 1 306.370 -1.128 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)nnn1C ZINC000958461183 664267234 /nfs/dbraw/zinc/26/72/34/664267234.db2.gz OJQWQKCWTRWKFP-IWIIMEHWSA-N 1 1 306.370 -1.128 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452840 664267248 /nfs/dbraw/zinc/26/72/48/664267248.db2.gz HRSAWSVOQFVGIK-PWSUYJOCSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452840 664267253 /nfs/dbraw/zinc/26/72/53/664267253.db2.gz HRSAWSVOQFVGIK-PWSUYJOCSA-N 1 1 319.365 -1.138 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958462998 664267486 /nfs/dbraw/zinc/26/74/86/664267486.db2.gz JYDOOWZAUYPUTE-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958462998 664267488 /nfs/dbraw/zinc/26/74/88/664267488.db2.gz JYDOOWZAUYPUTE-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453454 664267492 /nfs/dbraw/zinc/26/74/92/664267492.db2.gz NVVIUBJIXUTDQO-SCZZXKLOSA-N 1 1 323.378 -1.096 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453454 664267494 /nfs/dbraw/zinc/26/74/94/664267494.db2.gz NVVIUBJIXUTDQO-SCZZXKLOSA-N 1 1 323.378 -1.096 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958457533 664267515 /nfs/dbraw/zinc/26/75/15/664267515.db2.gz DLRHMNJCYHSGAU-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958457533 664267517 /nfs/dbraw/zinc/26/75/17/664267517.db2.gz DLRHMNJCYHSGAU-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466838 664267844 /nfs/dbraw/zinc/26/78/44/664267844.db2.gz BHRQEMFJSCQZIJ-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466838 664267845 /nfs/dbraw/zinc/26/78/45/664267845.db2.gz BHRQEMFJSCQZIJ-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469679 664267887 /nfs/dbraw/zinc/26/78/87/664267887.db2.gz KLPVTIJIZAURFY-SFDCQRBFSA-N 1 1 322.409 -1.404 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958464585 664268049 /nfs/dbraw/zinc/26/80/49/664268049.db2.gz YSOILVFPJUEEKO-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463028 664268103 /nfs/dbraw/zinc/26/81/03/664268103.db2.gz KMDUGHXARNFSMY-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463028 664268106 /nfs/dbraw/zinc/26/81/06/664268106.db2.gz KMDUGHXARNFSMY-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC000958464815 664268233 /nfs/dbraw/zinc/26/82/33/664268233.db2.gz AFMOHVVLZDVNRQ-SVDPJWKOSA-N 1 1 306.370 -1.082 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000958474156 664268956 /nfs/dbraw/zinc/26/89/56/664268956.db2.gz GWCKPDAUABIFHM-RQJABVFESA-N 1 1 320.397 -1.345 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000958473796 664268988 /nfs/dbraw/zinc/26/89/88/664268988.db2.gz FBPODWMDEFIIDF-XQHKEYJVSA-N 1 1 307.354 -1.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000958473796 664268989 /nfs/dbraw/zinc/26/89/89/664268989.db2.gz FBPODWMDEFIIDF-XQHKEYJVSA-N 1 1 307.354 -1.053 20 0 DAADMO Cn1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000958475775 664269016 /nfs/dbraw/zinc/26/90/16/664269016.db2.gz YAFIRHNOBAYVRK-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000958475775 664269018 /nfs/dbraw/zinc/26/90/18/664269018.db2.gz YAFIRHNOBAYVRK-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC000958476293 664269031 /nfs/dbraw/zinc/26/90/31/664269031.db2.gz IDDIZUQUFMMDDL-QWRGUYRKSA-N 1 1 321.337 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958475905 664269237 /nfs/dbraw/zinc/26/92/37/664269237.db2.gz DWZULUHZHVPWHN-MNOVXSKESA-N 1 1 313.354 -2.170 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC000958476291 664269313 /nfs/dbraw/zinc/26/93/13/664269313.db2.gz IDDIZUQUFMMDDL-GHMZBOCLSA-N 1 1 321.337 -1.550 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476286 664269399 /nfs/dbraw/zinc/26/93/99/664269399.db2.gz HXGNBTLSRUHQQB-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476286 664269401 /nfs/dbraw/zinc/26/94/01/664269401.db2.gz HXGNBTLSRUHQQB-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC000958476292 664269411 /nfs/dbraw/zinc/26/94/11/664269411.db2.gz IDDIZUQUFMMDDL-MNOVXSKESA-N 1 1 321.337 -1.550 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958476476 664269632 /nfs/dbraw/zinc/26/96/32/664269632.db2.gz KVUHVGWSVZAUDV-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958476476 664269634 /nfs/dbraw/zinc/26/96/34/664269634.db2.gz KVUHVGWSVZAUDV-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477643 664269843 /nfs/dbraw/zinc/26/98/43/664269843.db2.gz ZUSRCAMBEBWZRM-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477643 664269847 /nfs/dbraw/zinc/26/98/47/664269847.db2.gz ZUSRCAMBEBWZRM-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477119 664270082 /nfs/dbraw/zinc/27/00/82/664270082.db2.gz USUZEPHUEYAVGU-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477119 664270084 /nfs/dbraw/zinc/27/00/84/664270084.db2.gz USUZEPHUEYAVGU-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958480760 664270473 /nfs/dbraw/zinc/27/04/73/664270473.db2.gz HRFQKMHREUCIJH-JQWIXIFHSA-N 1 1 320.357 -1.871 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485285 664270480 /nfs/dbraw/zinc/27/04/80/664270480.db2.gz JUZHINCEHMCLCK-QWRGUYRKSA-N 1 1 315.345 -1.192 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc(C)n1 ZINC000958485091 664270608 /nfs/dbraw/zinc/27/06/08/664270608.db2.gz GWXCLUREIODFCP-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc(C)n1 ZINC000958485091 664270611 /nfs/dbraw/zinc/27/06/11/664270611.db2.gz GWXCLUREIODFCP-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3nncn3c2)[C@H](O)C1 ZINC000958481787 664270661 /nfs/dbraw/zinc/27/06/61/664270661.db2.gz SEYKRSASYOWUHK-GHMZBOCLSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3nncn3c2)[C@H](O)C1 ZINC000958481787 664270664 /nfs/dbraw/zinc/27/06/64/664270664.db2.gz SEYKRSASYOWUHK-GHMZBOCLSA-N 1 1 318.337 -1.763 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCOC)C[C@H]2O)ccc1=O ZINC000958492845 664271257 /nfs/dbraw/zinc/27/12/57/664271257.db2.gz BDPHVKINGMZKLW-DGCLKSJQSA-N 1 1 324.381 -1.068 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958494190 664271450 /nfs/dbraw/zinc/27/14/50/664271450.db2.gz NQWOLQHHHZRTRW-MWLCHTKSSA-N 1 1 323.353 -2.229 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958494190 664271451 /nfs/dbraw/zinc/27/14/51/664271451.db2.gz NQWOLQHHHZRTRW-MWLCHTKSSA-N 1 1 323.353 -2.229 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958494191 664271890 /nfs/dbraw/zinc/27/18/90/664271890.db2.gz NQWOLQHHHZRTRW-ONGXEEELSA-N 1 1 323.353 -2.229 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958494191 664271891 /nfs/dbraw/zinc/27/18/91/664271891.db2.gz NQWOLQHHHZRTRW-ONGXEEELSA-N 1 1 323.353 -2.229 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958498286 664272068 /nfs/dbraw/zinc/27/20/68/664272068.db2.gz FTWOOSQAOUXBDN-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958498286 664272071 /nfs/dbraw/zinc/27/20/71/664272071.db2.gz FTWOOSQAOUXBDN-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495443 664272109 /nfs/dbraw/zinc/27/21/09/664272109.db2.gz YSOBMGYOUZIJKU-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495443 664272112 /nfs/dbraw/zinc/27/21/12/664272112.db2.gz YSOBMGYOUZIJKU-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958498285 664272228 /nfs/dbraw/zinc/27/22/28/664272228.db2.gz FTWOOSQAOUXBDN-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958498285 664272229 /nfs/dbraw/zinc/27/22/29/664272229.db2.gz FTWOOSQAOUXBDN-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958498484 664272369 /nfs/dbraw/zinc/27/23/69/664272369.db2.gz HAPGHFOVCMRRQW-QWRGUYRKSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2ncccn2n1 ZINC000958495349 664272575 /nfs/dbraw/zinc/27/25/75/664272575.db2.gz XFSIOQOKDBMWCV-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958501042 664273681 /nfs/dbraw/zinc/27/36/81/664273681.db2.gz YSNNOGVMZQNKDQ-WDEREUQCSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958501042 664273682 /nfs/dbraw/zinc/27/36/82/664273682.db2.gz YSNNOGVMZQNKDQ-WDEREUQCSA-N 1 1 307.354 -1.413 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502380 664274018 /nfs/dbraw/zinc/27/40/18/664274018.db2.gz APOCNDOLHYCOKD-JQWIXIFHSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502380 664274023 /nfs/dbraw/zinc/27/40/23/664274023.db2.gz APOCNDOLHYCOKD-JQWIXIFHSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502380 664274028 /nfs/dbraw/zinc/27/40/28/664274028.db2.gz APOCNDOLHYCOKD-JQWIXIFHSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502380 664274033 /nfs/dbraw/zinc/27/40/33/664274033.db2.gz APOCNDOLHYCOKD-JQWIXIFHSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502380 664274035 /nfs/dbraw/zinc/27/40/35/664274035.db2.gz APOCNDOLHYCOKD-JQWIXIFHSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507483 664274267 /nfs/dbraw/zinc/27/42/67/664274267.db2.gz RHNDBMBAZISPBR-CMPLNLGQSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507483 664274271 /nfs/dbraw/zinc/27/42/71/664274271.db2.gz RHNDBMBAZISPBR-CMPLNLGQSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507484 664274514 /nfs/dbraw/zinc/27/45/14/664274514.db2.gz RHNDBMBAZISPBR-JQWIXIFHSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507484 664274517 /nfs/dbraw/zinc/27/45/17/664274517.db2.gz RHNDBMBAZISPBR-JQWIXIFHSA-N 1 1 323.353 -1.286 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958503304 664275069 /nfs/dbraw/zinc/27/50/69/664275069.db2.gz PATJBVGPJOXKAJ-NEPJUHHUSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503304 664275070 /nfs/dbraw/zinc/27/50/70/664275070.db2.gz PATJBVGPJOXKAJ-NEPJUHHUSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503304 664275073 /nfs/dbraw/zinc/27/50/73/664275073.db2.gz PATJBVGPJOXKAJ-NEPJUHHUSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503304 664275076 /nfs/dbraw/zinc/27/50/76/664275076.db2.gz PATJBVGPJOXKAJ-NEPJUHHUSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503304 664275078 /nfs/dbraw/zinc/27/50/78/664275078.db2.gz PATJBVGPJOXKAJ-NEPJUHHUSA-N 1 1 319.369 -1.197 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1 ZINC000958512795 664275328 /nfs/dbraw/zinc/27/53/28/664275328.db2.gz SQUXSGIQIJHRQD-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1 ZINC000958512795 664275330 /nfs/dbraw/zinc/27/53/30/664275330.db2.gz SQUXSGIQIJHRQD-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512246 664275334 /nfs/dbraw/zinc/27/53/34/664275334.db2.gz MZIZTDMPHRGDDR-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512246 664275335 /nfs/dbraw/zinc/27/53/35/664275335.db2.gz MZIZTDMPHRGDDR-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC000958507695 664275341 /nfs/dbraw/zinc/27/53/41/664275341.db2.gz VPHDCDHKNLRYLX-GXSJLCMTSA-N 1 1 307.314 -1.616 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC000958507549 664275427 /nfs/dbraw/zinc/27/54/27/664275427.db2.gz SCRWHOQQAPQEAR-QWRGUYRKSA-N 1 1 320.353 -1.207 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC000958507550 664275521 /nfs/dbraw/zinc/27/55/21/664275521.db2.gz SCRWHOQQAPQEAR-WDEREUQCSA-N 1 1 320.353 -1.207 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512243 664275811 /nfs/dbraw/zinc/27/58/11/664275811.db2.gz MZIZTDMPHRGDDR-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512243 664275815 /nfs/dbraw/zinc/27/58/15/664275815.db2.gz MZIZTDMPHRGDDR-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513156 664276412 /nfs/dbraw/zinc/27/64/12/664276412.db2.gz VHJZPVDXDLPKOF-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513156 664276417 /nfs/dbraw/zinc/27/64/17/664276417.db2.gz VHJZPVDXDLPKOF-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC000958522521 664276461 /nfs/dbraw/zinc/27/64/61/664276461.db2.gz QOPNDTDYCIANQE-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC000958522521 664276463 /nfs/dbraw/zinc/27/64/63/664276463.db2.gz QOPNDTDYCIANQE-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958519553 664276550 /nfs/dbraw/zinc/27/65/50/664276550.db2.gz LHIDCXDPQDDDDO-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958519553 664276553 /nfs/dbraw/zinc/27/65/53/664276553.db2.gz LHIDCXDPQDDDDO-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC000958522524 664276611 /nfs/dbraw/zinc/27/66/11/664276611.db2.gz QOPNDTDYCIANQE-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC000958522524 664276612 /nfs/dbraw/zinc/27/66/12/664276612.db2.gz QOPNDTDYCIANQE-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c1C ZINC000958520035 664276614 /nfs/dbraw/zinc/27/66/14/664276614.db2.gz RYRUDEWCUCWROT-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c1C ZINC000958520035 664276615 /nfs/dbraw/zinc/27/66/15/664276615.db2.gz RYRUDEWCUCWROT-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n(C)n1 ZINC000958522852 664276626 /nfs/dbraw/zinc/27/66/26/664276626.db2.gz SYWKNBBXJITWPH-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n(C)n1 ZINC000958522852 664276628 /nfs/dbraw/zinc/27/66/28/664276628.db2.gz SYWKNBBXJITWPH-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC000958522277 664276690 /nfs/dbraw/zinc/27/66/90/664276690.db2.gz IXLIQEXBHOTDDQ-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958552252 664277387 /nfs/dbraw/zinc/27/73/87/664277387.db2.gz ROSQWQKZTLNQTE-KOLCDFICSA-N 1 1 310.358 -1.804 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958552252 664277392 /nfs/dbraw/zinc/27/73/92/664277392.db2.gz ROSQWQKZTLNQTE-KOLCDFICSA-N 1 1 310.358 -1.804 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550465 664277547 /nfs/dbraw/zinc/27/75/47/664277547.db2.gz ADCKUXWIGSEYDZ-PWSUYJOCSA-N 1 1 324.385 -1.373 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550465 664277549 /nfs/dbraw/zinc/27/75/49/664277549.db2.gz ADCKUXWIGSEYDZ-PWSUYJOCSA-N 1 1 324.385 -1.373 20 0 DAADMO COc1cccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958556082 664277798 /nfs/dbraw/zinc/27/77/98/664277798.db2.gz PGDROAZEKVBXLQ-MWLCHTKSSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958556082 664277799 /nfs/dbraw/zinc/27/77/99/664277799.db2.gz PGDROAZEKVBXLQ-MWLCHTKSSA-N 1 1 308.338 -1.402 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558074 664277822 /nfs/dbraw/zinc/27/78/22/664277822.db2.gz DJMAIMGLLGOCFU-KOLCDFICSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558074 664277826 /nfs/dbraw/zinc/27/78/26/664277826.db2.gz DJMAIMGLLGOCFU-KOLCDFICSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526392 664277870 /nfs/dbraw/zinc/27/78/70/664277870.db2.gz PIAROPDDCYEGNQ-WCBMZHEXSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526392 664277875 /nfs/dbraw/zinc/27/78/75/664277875.db2.gz PIAROPDDCYEGNQ-WCBMZHEXSA-N 1 1 309.326 -2.379 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958547648 664277888 /nfs/dbraw/zinc/27/78/88/664277888.db2.gz KRWUTZYYCDLUHX-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958547648 664277891 /nfs/dbraw/zinc/27/78/91/664277891.db2.gz KRWUTZYYCDLUHX-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nnn1C(C)C ZINC000958549544 664277971 /nfs/dbraw/zinc/27/79/71/664277971.db2.gz YWZUTGPZICLKQY-MNOVXSKESA-N 1 1 324.385 -1.325 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nnn1C(C)C ZINC000958549544 664277975 /nfs/dbraw/zinc/27/79/75/664277975.db2.gz YWZUTGPZICLKQY-MNOVXSKESA-N 1 1 324.385 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526282 664278022 /nfs/dbraw/zinc/27/80/22/664278022.db2.gz OOYAXNHABOBQBC-KOLCDFICSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526282 664278023 /nfs/dbraw/zinc/27/80/23/664278023.db2.gz OOYAXNHABOBQBC-KOLCDFICSA-N 1 1 323.353 -2.118 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nnn1C(C)C ZINC000958549543 664278057 /nfs/dbraw/zinc/27/80/57/664278057.db2.gz YWZUTGPZICLKQY-GHMZBOCLSA-N 1 1 324.385 -1.325 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nnn1C(C)C ZINC000958549543 664278059 /nfs/dbraw/zinc/27/80/59/664278059.db2.gz YWZUTGPZICLKQY-GHMZBOCLSA-N 1 1 324.385 -1.325 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC000958571216 664278333 /nfs/dbraw/zinc/27/83/33/664278333.db2.gz SRTPMDWAQHCHDM-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(OC)nn2)[C@H](O)C1 ZINC000958566510 664278428 /nfs/dbraw/zinc/27/84/28/664278428.db2.gz GCGYGMKIVPZYLL-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(OC)nn2)[C@H](O)C1 ZINC000958566510 664278429 /nfs/dbraw/zinc/27/84/29/664278429.db2.gz GCGYGMKIVPZYLL-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(Cl)n1 ZINC000958579914 664278450 /nfs/dbraw/zinc/27/84/50/664278450.db2.gz BJBYMUXKXLOESP-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(Cl)n1 ZINC000958579914 664278451 /nfs/dbraw/zinc/27/84/51/664278451.db2.gz BJBYMUXKXLOESP-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H](O)C1 ZINC000958581714 664278512 /nfs/dbraw/zinc/27/85/12/664278512.db2.gz RRRMXPSWLXQFCF-HTQZYQBOSA-N 1 1 312.326 -1.061 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC000958571218 664278543 /nfs/dbraw/zinc/27/85/43/664278543.db2.gz SRTPMDWAQHCHDM-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571220 664278565 /nfs/dbraw/zinc/27/85/65/664278565.db2.gz SRZVOIQHNUCOPP-GWCFXTLKSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571220 664278568 /nfs/dbraw/zinc/27/85/68/664278568.db2.gz SRZVOIQHNUCOPP-GWCFXTLKSA-N 1 1 321.381 -1.273 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000958581716 664278750 /nfs/dbraw/zinc/27/87/50/664278750.db2.gz RRRMXPSWLXQFCF-SFYZADRCSA-N 1 1 312.326 -1.061 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958563390 664278943 /nfs/dbraw/zinc/27/89/43/664278943.db2.gz MTQRPZMCRGXXJZ-NWDGAFQWSA-N 1 1 310.354 -1.110 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958587387 664279239 /nfs/dbraw/zinc/27/92/39/664279239.db2.gz IMWJVQAEZDRNHN-KOLCDFICSA-N 1 1 320.353 -1.150 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588196 664279292 /nfs/dbraw/zinc/27/92/92/664279292.db2.gz QHJKOYVWJVSNER-KOLCDFICSA-N 1 1 320.353 -1.152 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)CCC2 ZINC000958587022 664279365 /nfs/dbraw/zinc/27/93/65/664279365.db2.gz FNZWBQMTQPZGNX-ZWNOBZJWSA-N 1 1 308.382 -1.076 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC000958587210 664279414 /nfs/dbraw/zinc/27/94/14/664279414.db2.gz HDRIEOJQVRDDRB-GXSJLCMTSA-N 1 1 321.337 -1.550 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958587175 664279607 /nfs/dbraw/zinc/27/96/07/664279607.db2.gz ORXCBUZHMLHEDQ-COMQUAJESA-N 1 1 322.409 -1.356 20 0 DAADMO COCc1nocc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958583127 664279673 /nfs/dbraw/zinc/27/96/73/664279673.db2.gz DSNQNIPPAITWQK-GZMMTYOYSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nocc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958583127 664279676 /nfs/dbraw/zinc/27/96/76/664279676.db2.gz DSNQNIPPAITWQK-GZMMTYOYSA-N 1 1 312.326 -1.671 20 0 DAADMO CCn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c1 ZINC000958594564 664280848 /nfs/dbraw/zinc/28/08/48/664280848.db2.gz JUXTVNJNYWLWKT-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c1 ZINC000958594564 664280849 /nfs/dbraw/zinc/28/08/49/664280849.db2.gz JUXTVNJNYWLWKT-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958593871 664280897 /nfs/dbraw/zinc/28/08/97/664280897.db2.gz CDLPVRHARYBBTA-RKDXNWHRSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958593871 664280899 /nfs/dbraw/zinc/28/08/99/664280899.db2.gz CDLPVRHARYBBTA-RKDXNWHRSA-N 1 1 324.337 -1.696 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCOCC2)C1=O ZINC000958608552 664281561 /nfs/dbraw/zinc/28/15/61/664281561.db2.gz RNXHVCFODCIPEI-COMQUAJESA-N 1 1 322.409 -1.404 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CN=NC2=O)cn1 ZINC000958621343 664281883 /nfs/dbraw/zinc/28/18/83/664281883.db2.gz ILWNWNJONNQDNZ-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617678 664281923 /nfs/dbraw/zinc/28/19/23/664281923.db2.gz FMFFPMXJKVFRKB-SCZZXKLOSA-N 1 1 306.326 -1.830 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617678 664281925 /nfs/dbraw/zinc/28/19/25/664281925.db2.gz FMFFPMXJKVFRKB-SCZZXKLOSA-N 1 1 306.326 -1.830 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621186 664282029 /nfs/dbraw/zinc/28/20/29/664282029.db2.gz FPVJSUDHLWNSIC-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621186 664282031 /nfs/dbraw/zinc/28/20/31/664282031.db2.gz FPVJSUDHLWNSIC-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617679 664282059 /nfs/dbraw/zinc/28/20/59/664282059.db2.gz FMFFPMXJKVFRKB-WCBMZHEXSA-N 1 1 306.326 -1.830 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617679 664282062 /nfs/dbraw/zinc/28/20/62/664282062.db2.gz FMFFPMXJKVFRKB-WCBMZHEXSA-N 1 1 306.326 -1.830 20 0 DAADMO COc1cccnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958621549 664282085 /nfs/dbraw/zinc/28/20/85/664282085.db2.gz BGAOIOFBMHOCDN-VHSXEESVSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958621549 664282087 /nfs/dbraw/zinc/28/20/87/664282087.db2.gz BGAOIOFBMHOCDN-VHSXEESVSA-N 1 1 308.338 -1.402 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626244 664282351 /nfs/dbraw/zinc/28/23/51/664282351.db2.gz PRQUWJNVLOZKQG-REIXXSIJSA-N 1 1 308.342 -1.835 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)c1N ZINC000958633227 664282407 /nfs/dbraw/zinc/28/24/07/664282407.db2.gz LLYRMCAQCHOJSC-WHOHXGKFSA-N 1 1 318.381 -1.059 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)c1N ZINC000958633513 664282488 /nfs/dbraw/zinc/28/24/88/664282488.db2.gz NCPRHIUKNZYPEH-GDNZZTSVSA-N 1 1 316.369 -1.009 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)c1N ZINC000958633513 664282491 /nfs/dbraw/zinc/28/24/91/664282491.db2.gz NCPRHIUKNZYPEH-GDNZZTSVSA-N 1 1 316.369 -1.009 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626573 664282650 /nfs/dbraw/zinc/28/26/50/664282650.db2.gz RXRDWTBZVZOONJ-UXCLJVHYSA-N 1 1 322.369 -1.493 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cnn1C ZINC000958625505 664282801 /nfs/dbraw/zinc/28/28/01/664282801.db2.gz KFJPHHMEMJNLGE-JQWIXIFHSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958629359 664282815 /nfs/dbraw/zinc/28/28/15/664282815.db2.gz BCZNGTIUJSKMSX-RKDXNWHRSA-N 1 1 313.333 -1.625 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958629359 664282817 /nfs/dbraw/zinc/28/28/17/664282817.db2.gz BCZNGTIUJSKMSX-RKDXNWHRSA-N 1 1 313.333 -1.625 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958631341 664282843 /nfs/dbraw/zinc/28/28/43/664282843.db2.gz PVBFMBGHYVPYCY-ZJUUUORDSA-N 1 1 300.334 -1.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC000958639699 664283159 /nfs/dbraw/zinc/28/31/59/664283159.db2.gz ITUKKLUEOQVGEH-GHMZBOCLSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC000958639699 664283163 /nfs/dbraw/zinc/28/31/63/664283163.db2.gz ITUKKLUEOQVGEH-GHMZBOCLSA-N 1 1 308.338 -1.444 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958634947 664283343 /nfs/dbraw/zinc/28/33/43/664283343.db2.gz DHCQEFKATUJJMR-DGCLKSJQSA-N 1 1 312.370 -1.456 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958635134 664283371 /nfs/dbraw/zinc/28/33/71/664283371.db2.gz FBBTWSGTQGPQLM-ZYHUDNBSSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958635134 664283373 /nfs/dbraw/zinc/28/33/73/664283373.db2.gz FBBTWSGTQGPQLM-ZYHUDNBSSA-N 1 1 322.365 -1.012 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639701 664283407 /nfs/dbraw/zinc/28/34/07/664283407.db2.gz ITUKKLUEOQVGEH-QWRGUYRKSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639701 664283409 /nfs/dbraw/zinc/28/34/09/664283409.db2.gz ITUKKLUEOQVGEH-QWRGUYRKSA-N 1 1 308.338 -1.444 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cncnc1 ZINC000958641908 664283497 /nfs/dbraw/zinc/28/34/97/664283497.db2.gz CAPLLASRUHWOAM-XZUYRWCXSA-N 1 1 315.333 -1.058 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958635130 664283510 /nfs/dbraw/zinc/28/35/10/664283510.db2.gz FBBTWSGTQGPQLM-JQWIXIFHSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958635130 664283513 /nfs/dbraw/zinc/28/35/13/664283513.db2.gz FBBTWSGTQGPQLM-JQWIXIFHSA-N 1 1 322.365 -1.012 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC000958653952 664283777 /nfs/dbraw/zinc/28/37/77/664283777.db2.gz PIANLXXQOLWDIP-BDAKNGLRSA-N 1 1 311.317 -1.433 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC000958653952 664283780 /nfs/dbraw/zinc/28/37/80/664283780.db2.gz PIANLXXQOLWDIP-BDAKNGLRSA-N 1 1 311.317 -1.433 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC000958648929 664283881 /nfs/dbraw/zinc/28/38/81/664283881.db2.gz DNOKMALQZSHHDV-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC000958648929 664283886 /nfs/dbraw/zinc/28/38/86/664283886.db2.gz DNOKMALQZSHHDV-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958649712 664284306 /nfs/dbraw/zinc/28/43/06/664284306.db2.gz QITKQPGUUFCOBY-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958649712 664284309 /nfs/dbraw/zinc/28/43/09/664284309.db2.gz QITKQPGUUFCOBY-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2c1 ZINC000958662795 664284902 /nfs/dbraw/zinc/28/49/02/664284902.db2.gz YUPPMPYNIOGETE-ZWNOBZJWSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662795 664284905 /nfs/dbraw/zinc/28/49/05/664284905.db2.gz YUPPMPYNIOGETE-ZWNOBZJWSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662795 664284909 /nfs/dbraw/zinc/28/49/09/664284909.db2.gz YUPPMPYNIOGETE-ZWNOBZJWSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661602 664285007 /nfs/dbraw/zinc/28/50/07/664285007.db2.gz MLTZZNHUBGVADJ-SKDRFNHKSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661602 664285011 /nfs/dbraw/zinc/28/50/11/664285011.db2.gz MLTZZNHUBGVADJ-SKDRFNHKSA-N 1 1 318.337 -1.534 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666333 664285149 /nfs/dbraw/zinc/28/51/49/664285149.db2.gz IXQJWAGXUNYWCE-PSASIEDQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666333 664285152 /nfs/dbraw/zinc/28/51/52/664285152.db2.gz IXQJWAGXUNYWCE-PSASIEDQSA-N 1 1 314.317 -1.522 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958657530 664285254 /nfs/dbraw/zinc/28/52/54/664285254.db2.gz KBPHYBQWPKFZCP-UONOGXRCSA-N 1 1 313.398 -1.354 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958665483 664285426 /nfs/dbraw/zinc/28/54/26/664285426.db2.gz AGKPUGXXCJIZSK-ONGXEEELSA-N 1 1 310.354 -1.082 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC000958653955 664285441 /nfs/dbraw/zinc/28/54/41/664285441.db2.gz PIANLXXQOLWDIP-IUCAKERBSA-N 1 1 311.317 -1.433 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC000958653955 664285444 /nfs/dbraw/zinc/28/54/44/664285444.db2.gz PIANLXXQOLWDIP-IUCAKERBSA-N 1 1 311.317 -1.433 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC000958671700 664285669 /nfs/dbraw/zinc/28/56/69/664285669.db2.gz NYABIQYOQKINDS-XQHKEYJVSA-N 1 1 306.366 -1.600 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958666484 664285728 /nfs/dbraw/zinc/28/57/28/664285728.db2.gz LADSLEOVKCXPGX-ONGXEEELSA-N 1 1 310.354 -1.083 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC000958672995 664285839 /nfs/dbraw/zinc/28/58/39/664285839.db2.gz WDXWUAHCYHQWQS-RQJABVFESA-N 1 1 320.393 -1.210 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666800 664286306 /nfs/dbraw/zinc/28/63/06/664286306.db2.gz PFMSOPMHUAFETO-PWSUYJOCSA-N 1 1 322.365 -1.082 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958692535 664286537 /nfs/dbraw/zinc/28/65/37/664286537.db2.gz BITCHNBFTYLSIS-RYUDHWBXSA-N 1 1 308.338 -1.805 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958684920 664286659 /nfs/dbraw/zinc/28/66/59/664286659.db2.gz OVFPRNPDGZXAOK-ZWNOBZJWSA-N 1 1 321.381 -1.193 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958684920 664286661 /nfs/dbraw/zinc/28/66/61/664286661.db2.gz OVFPRNPDGZXAOK-ZWNOBZJWSA-N 1 1 321.381 -1.193 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958673915 664286722 /nfs/dbraw/zinc/28/67/22/664286722.db2.gz YSKCBVZXLZLQRF-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958673915 664286725 /nfs/dbraw/zinc/28/67/25/664286725.db2.gz YSKCBVZXLZLQRF-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958673916 664286881 /nfs/dbraw/zinc/28/68/81/664286881.db2.gz YSKCBVZXLZLQRF-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958673916 664286884 /nfs/dbraw/zinc/28/68/84/664286884.db2.gz YSKCBVZXLZLQRF-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958693425 664286899 /nfs/dbraw/zinc/28/68/99/664286899.db2.gz FCHGUNJOVUMDJM-CHWSQXEVSA-N 1 1 322.365 -1.415 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958682828 664286962 /nfs/dbraw/zinc/28/69/62/664286962.db2.gz DBQUVSQTCYCIGB-JOYOIKCWSA-N 1 1 307.354 -1.453 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958682828 664286965 /nfs/dbraw/zinc/28/69/65/664286965.db2.gz DBQUVSQTCYCIGB-JOYOIKCWSA-N 1 1 307.354 -1.453 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958677747 664287155 /nfs/dbraw/zinc/28/71/55/664287155.db2.gz UNIWJODQWVDRTQ-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958713566 664287544 /nfs/dbraw/zinc/28/75/44/664287544.db2.gz DXWVETKWKPDAEM-GXSJLCMTSA-N 1 1 308.338 -1.805 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000958709244 664287663 /nfs/dbraw/zinc/28/76/63/664287663.db2.gz OQTMCUSCMOBZDY-SREGZZRCSA-N 1 1 306.322 -1.473 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC000958695575 664287676 /nfs/dbraw/zinc/28/76/76/664287676.db2.gz FUFZRENCJYXGQV-RFQIPJPRSA-N 1 1 320.393 -1.258 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958698489 664287708 /nfs/dbraw/zinc/28/77/08/664287708.db2.gz VGNGKNDECDNEKA-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958698489 664287714 /nfs/dbraw/zinc/28/77/14/664287714.db2.gz VGNGKNDECDNEKA-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958713568 664287718 /nfs/dbraw/zinc/28/77/18/664287718.db2.gz DXWVETKWKPDAEM-MWLCHTKSSA-N 1 1 308.338 -1.805 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@H](O)C1 ZINC000958713532 664288088 /nfs/dbraw/zinc/28/80/88/664288088.db2.gz DQQLGZOIOGWZJX-ZYHUDNBSSA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@H](O)C1 ZINC000958717765 664288299 /nfs/dbraw/zinc/28/82/99/664288299.db2.gz QYELXJQIYXCCQZ-PSASIEDQSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccnc2C(N)=O)[C@H](O)C1 ZINC000958717765 664288302 /nfs/dbraw/zinc/28/83/02/664288302.db2.gz QYELXJQIYXCCQZ-PSASIEDQSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717768 664288419 /nfs/dbraw/zinc/28/84/19/664288419.db2.gz QYELXJQIYXCCQZ-WPRPVWTQSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717768 664288422 /nfs/dbraw/zinc/28/84/22/664288422.db2.gz QYELXJQIYXCCQZ-WPRPVWTQSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958719883 664288718 /nfs/dbraw/zinc/28/87/18/664288718.db2.gz NZEUDDZUPJOVDX-CZXHOFHRSA-N 1 1 303.366 -1.103 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1noc2c1COCC2 ZINC000958723578 664288734 /nfs/dbraw/zinc/28/87/34/664288734.db2.gz HTUQLTWQZASBSN-MWLCHTKSSA-N 1 1 311.338 -1.238 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717081 664288786 /nfs/dbraw/zinc/28/87/86/664288786.db2.gz OXGZKRIOEKQQGP-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717081 664288788 /nfs/dbraw/zinc/28/87/88/664288788.db2.gz OXGZKRIOEKQQGP-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 ZINC000958735478 664289260 /nfs/dbraw/zinc/28/92/60/664289260.db2.gz CTUUMCNYTNJLPL-LDYMZIIASA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 ZINC000958735478 664289263 /nfs/dbraw/zinc/28/92/63/664289263.db2.gz CTUUMCNYTNJLPL-LDYMZIIASA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958736601 664289330 /nfs/dbraw/zinc/28/93/30/664289330.db2.gz QUNSNDGJBYHBSW-MFKMUULPSA-N 1 1 322.365 -1.415 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958728614 664289472 /nfs/dbraw/zinc/28/94/72/664289472.db2.gz PQUUJPRQWDOYMN-JQWIXIFHSA-N 1 1 324.385 -1.558 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000958728458 664289499 /nfs/dbraw/zinc/28/94/99/664289499.db2.gz ONAXPZPMSQWBIM-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958736602 664289541 /nfs/dbraw/zinc/28/95/41/664289541.db2.gz QUNSNDGJBYHBSW-ZWNOBZJWSA-N 1 1 322.365 -1.415 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)nn1 ZINC000958728352 664289889 /nfs/dbraw/zinc/28/98/89/664289889.db2.gz OATYTVYAUNHRRB-SCZZXKLOSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)nn1 ZINC000958728352 664289891 /nfs/dbraw/zinc/28/98/91/664289891.db2.gz OATYTVYAUNHRRB-SCZZXKLOSA-N 1 1 314.321 -2.245 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC000958728618 664289893 /nfs/dbraw/zinc/28/98/93/664289893.db2.gz PQUUJPRQWDOYMN-ZYHUDNBSSA-N 1 1 324.385 -1.558 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958736206 664289928 /nfs/dbraw/zinc/28/99/28/664289928.db2.gz KPIDKRPTGKFOTH-ZWNOBZJWSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958736206 664289930 /nfs/dbraw/zinc/28/99/30/664289930.db2.gz KPIDKRPTGKFOTH-ZWNOBZJWSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958740795 664290142 /nfs/dbraw/zinc/29/01/42/664290142.db2.gz VYGOWLGGTVAALU-GWCFXTLKSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958740795 664290147 /nfs/dbraw/zinc/29/01/47/664290147.db2.gz VYGOWLGGTVAALU-GWCFXTLKSA-N 1 1 321.381 -1.345 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnnn2C)C1=O ZINC000958741353 664290552 /nfs/dbraw/zinc/29/05/52/664290552.db2.gz GKCFPWODOQAPCH-KLBPJQLPSA-N 1 1 304.354 -1.294 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958742448 664290657 /nfs/dbraw/zinc/29/06/57/664290657.db2.gz RNOLOECOLBHKQP-UXCLJVHYSA-N 1 1 306.370 -1.048 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958740185 664290714 /nfs/dbraw/zinc/29/07/14/664290714.db2.gz KSQHSLGKGCMUCP-QWRGUYRKSA-N 1 1 323.353 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958740185 664290718 /nfs/dbraw/zinc/29/07/18/664290718.db2.gz KSQHSLGKGCMUCP-QWRGUYRKSA-N 1 1 323.353 -1.367 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nc1 ZINC000958745048 664290901 /nfs/dbraw/zinc/29/09/01/664290901.db2.gz ZJPAKBTVCQBLHU-DGCLKSJQSA-N 1 1 322.365 -1.415 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC000958745949 664291148 /nfs/dbraw/zinc/29/11/48/664291148.db2.gz BJKCLBMMIBMGOI-KLBPJQLPSA-N 1 1 308.338 -1.580 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC000958745949 664291150 /nfs/dbraw/zinc/29/11/50/664291150.db2.gz BJKCLBMMIBMGOI-KLBPJQLPSA-N 1 1 308.338 -1.580 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958746767 664291239 /nfs/dbraw/zinc/29/12/39/664291239.db2.gz KESAMXXLSIBGFM-MIZYBKAJSA-N 1 1 304.354 -1.246 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958748100 664291441 /nfs/dbraw/zinc/29/14/41/664291441.db2.gz HPYKIXDCTXUECG-UWVGGRQHSA-N 1 1 311.342 -1.511 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958748100 664291443 /nfs/dbraw/zinc/29/14/43/664291443.db2.gz HPYKIXDCTXUECG-UWVGGRQHSA-N 1 1 311.342 -1.511 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958749242 664291574 /nfs/dbraw/zinc/29/15/74/664291574.db2.gz VQYUFLNOTSBZLR-JQWIXIFHSA-N 1 1 308.338 -1.805 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000958747225 664291624 /nfs/dbraw/zinc/29/16/24/664291624.db2.gz SCMBLDVTCDWSJJ-KXNHARMFSA-N 1 1 320.353 -1.047 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000958747225 664291627 /nfs/dbraw/zinc/29/16/27/664291627.db2.gz SCMBLDVTCDWSJJ-KXNHARMFSA-N 1 1 320.353 -1.047 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958748205 664291637 /nfs/dbraw/zinc/29/16/37/664291637.db2.gz JHEWHQRZACABPQ-WCQYABFASA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958747251 664291694 /nfs/dbraw/zinc/29/16/94/664291694.db2.gz SMEVYRNIQRDYAD-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958747251 664291695 /nfs/dbraw/zinc/29/16/95/664291695.db2.gz SMEVYRNIQRDYAD-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958753363 664291755 /nfs/dbraw/zinc/29/17/55/664291755.db2.gz YRUFNRFNPMGGOC-WOPDTQHZSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958753363 664291758 /nfs/dbraw/zinc/29/17/58/664291758.db2.gz YRUFNRFNPMGGOC-WOPDTQHZSA-N 1 1 322.369 -1.457 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749818 664291807 /nfs/dbraw/zinc/29/18/07/664291807.db2.gz ZBMPYBRWCPXUSW-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749818 664291810 /nfs/dbraw/zinc/29/18/10/664291810.db2.gz ZBMPYBRWCPXUSW-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)nn1 ZINC000958756217 664292002 /nfs/dbraw/zinc/29/20/02/664292002.db2.gz KIAISGPPFDNOKI-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)nn1 ZINC000958756217 664292003 /nfs/dbraw/zinc/29/20/03/664292003.db2.gz KIAISGPPFDNOKI-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000958757851 664292100 /nfs/dbraw/zinc/29/21/00/664292100.db2.gz PDDOIZMDKOUZFF-WOPDTQHZSA-N 1 1 323.353 -1.193 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958757991 664292291 /nfs/dbraw/zinc/29/22/91/664292291.db2.gz ALDGBLLUZMOVBQ-QWRGUYRKSA-N 1 1 321.341 -1.308 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000958757850 664292355 /nfs/dbraw/zinc/29/23/55/664292355.db2.gz PDDOIZMDKOUZFF-SRVKXCTJSA-N 1 1 323.353 -1.193 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958763404 664292593 /nfs/dbraw/zinc/29/25/93/664292593.db2.gz SOMQKJWDESGVIO-QWRGUYRKSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958763404 664292595 /nfs/dbraw/zinc/29/25/95/664292595.db2.gz SOMQKJWDESGVIO-QWRGUYRKSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958762555 664292601 /nfs/dbraw/zinc/29/26/01/664292601.db2.gz MEYGTEPYOUXZJS-UWVGGRQHSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958762555 664292602 /nfs/dbraw/zinc/29/26/02/664292602.db2.gz MEYGTEPYOUXZJS-UWVGGRQHSA-N 1 1 310.358 -1.886 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958763799 664292608 /nfs/dbraw/zinc/29/26/08/664292608.db2.gz WFDQRWFYPONJFX-KOLCDFICSA-N 1 1 323.353 -1.617 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958763799 664292610 /nfs/dbraw/zinc/29/26/10/664292610.db2.gz WFDQRWFYPONJFX-KOLCDFICSA-N 1 1 323.353 -1.617 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958763801 664292658 /nfs/dbraw/zinc/29/26/58/664292658.db2.gz WFDQRWFYPONJFX-ONGXEEELSA-N 1 1 323.353 -1.617 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958763801 664292661 /nfs/dbraw/zinc/29/26/61/664292661.db2.gz WFDQRWFYPONJFX-ONGXEEELSA-N 1 1 323.353 -1.617 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958769430 664292665 /nfs/dbraw/zinc/29/26/65/664292665.db2.gz ICBIHMAQMSWYCZ-WCQYABFASA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1nnc2cccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC000958770305 664292794 /nfs/dbraw/zinc/29/27/94/664292794.db2.gz NXPKFOCXOHQACN-ZWNOBZJWSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958773296 664292812 /nfs/dbraw/zinc/29/28/12/664292812.db2.gz ITPQJIYLHBLECG-PWSUYJOCSA-N 1 1 308.338 -1.805 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958763405 664292894 /nfs/dbraw/zinc/29/28/94/664292894.db2.gz SOMQKJWDESGVIO-WDEREUQCSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958763405 664292895 /nfs/dbraw/zinc/29/28/95/664292895.db2.gz SOMQKJWDESGVIO-WDEREUQCSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958762557 664292994 /nfs/dbraw/zinc/29/29/94/664292994.db2.gz MEYGTEPYOUXZJS-ZJUUUORDSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958762557 664292996 /nfs/dbraw/zinc/29/29/96/664292996.db2.gz MEYGTEPYOUXZJS-ZJUUUORDSA-N 1 1 310.358 -1.886 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958769428 664293000 /nfs/dbraw/zinc/29/30/00/664293000.db2.gz ICBIHMAQMSWYCZ-AAEUAGOBSA-N 1 1 322.365 -1.151 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958763800 664293017 /nfs/dbraw/zinc/29/30/17/664293017.db2.gz WFDQRWFYPONJFX-MWLCHTKSSA-N 1 1 323.353 -1.617 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958763800 664293019 /nfs/dbraw/zinc/29/30/19/664293019.db2.gz WFDQRWFYPONJFX-MWLCHTKSSA-N 1 1 323.353 -1.617 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000958786702 664293515 /nfs/dbraw/zinc/29/35/15/664293515.db2.gz JBBURVQFSOBJSX-QCBRBAQYSA-N 1 1 318.337 -1.720 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC000958816058 664293763 /nfs/dbraw/zinc/29/37/63/664293763.db2.gz GSUJQAMENKDNOY-COMAGPEQSA-N 1 1 304.354 -1.409 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC000958816058 664293768 /nfs/dbraw/zinc/29/37/68/664293768.db2.gz GSUJQAMENKDNOY-COMAGPEQSA-N 1 1 304.354 -1.409 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC000958816058 664293772 /nfs/dbraw/zinc/29/37/72/664293772.db2.gz GSUJQAMENKDNOY-COMAGPEQSA-N 1 1 304.354 -1.409 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC000958789785 664293815 /nfs/dbraw/zinc/29/38/15/664293815.db2.gz AHEIQNKZUFGFTK-ZNSHCXBVSA-N 1 1 306.370 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958850431 664296020 /nfs/dbraw/zinc/29/60/20/664296020.db2.gz ZUDUPACSXPRRLT-VWYCJHECSA-N 1 1 322.369 -1.600 20 0 DAADMO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958851568 664296149 /nfs/dbraw/zinc/29/61/49/664296149.db2.gz XZGPHCMANFGNBR-QWRGUYRKSA-N 1 1 322.369 -1.456 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958849924 664296216 /nfs/dbraw/zinc/29/62/16/664296216.db2.gz IUOBKZDKBHZJHM-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958885776 664298310 /nfs/dbraw/zinc/29/83/10/664298310.db2.gz FWXSCKWDLDDZRC-DLOVCJGASA-N 1 1 322.369 -1.600 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958886611 664298390 /nfs/dbraw/zinc/29/83/90/664298390.db2.gz RRGMCYNHWVURIH-RYUDHWBXSA-N 1 1 322.369 -1.456 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958893907 664299388 /nfs/dbraw/zinc/29/93/88/664299388.db2.gz MQGUGBYGXAPHHG-QWRGUYRKSA-N 1 1 323.353 -1.903 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958919901 664300731 /nfs/dbraw/zinc/30/07/31/664300731.db2.gz NQNGGCONNJISCH-DCAQKATOSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958919901 664300736 /nfs/dbraw/zinc/30/07/36/664300736.db2.gz NQNGGCONNJISCH-DCAQKATOSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1O ZINC000958941553 664302692 /nfs/dbraw/zinc/30/26/92/664302692.db2.gz FAZWVGIUALFGIJ-PGUXBMHVSA-N 1 1 324.381 -2.012 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC000958943375 664303600 /nfs/dbraw/zinc/30/36/00/664303600.db2.gz QAOZTJSZHTYIRI-UWVGGRQHSA-N 1 1 309.326 -2.293 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000958943209 664303723 /nfs/dbraw/zinc/30/37/23/664303723.db2.gz LWPLGSPDLLOISP-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC000958944034 664304107 /nfs/dbraw/zinc/30/41/07/664304107.db2.gz OBYSQMMGNUHQPF-UWVGGRQHSA-N 1 1 309.326 -2.293 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1O ZINC000958944860 664304325 /nfs/dbraw/zinc/30/43/25/664304325.db2.gz ZDPQAEFAESICMR-QWRGUYRKSA-N 1 1 312.370 -2.014 20 0 DAADMO COCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000959786216 664311027 /nfs/dbraw/zinc/31/10/27/664311027.db2.gz DRFMHFMZMPCKEQ-XQQFMLRXSA-N 1 1 311.382 -1.120 20 0 DAADMO COCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000959786216 664311026 /nfs/dbraw/zinc/31/10/26/664311026.db2.gz DRFMHFMZMPCKEQ-XQQFMLRXSA-N 1 1 311.382 -1.120 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)[nH]1 ZINC000959845055 664311447 /nfs/dbraw/zinc/31/14/47/664311447.db2.gz IBGSQDISGMTJSB-YABSGUDNSA-N 1 1 316.369 -1.006 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)n[nH]1 ZINC000959845055 664311451 /nfs/dbraw/zinc/31/14/51/664311451.db2.gz IBGSQDISGMTJSB-YABSGUDNSA-N 1 1 316.369 -1.006 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)n[nH]1 ZINC000959845055 664311453 /nfs/dbraw/zinc/31/14/53/664311453.db2.gz IBGSQDISGMTJSB-YABSGUDNSA-N 1 1 316.369 -1.006 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC000959842999 664311598 /nfs/dbraw/zinc/31/15/98/664311598.db2.gz BJCIHPOQAWEFFH-COMAGPEQSA-N 1 1 306.370 -1.034 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000959842999 664311601 /nfs/dbraw/zinc/31/16/01/664311601.db2.gz BJCIHPOQAWEFFH-COMAGPEQSA-N 1 1 306.370 -1.034 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000959842999 664311604 /nfs/dbraw/zinc/31/16/04/664311604.db2.gz BJCIHPOQAWEFFH-COMAGPEQSA-N 1 1 306.370 -1.034 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC000959866284 664312247 /nfs/dbraw/zinc/31/22/47/664312247.db2.gz RDMNAKNRHPFNGG-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000959876518 664312553 /nfs/dbraw/zinc/31/25/53/664312553.db2.gz PRSOAPGDBKYMMN-PQFRYHKHSA-N 1 1 319.365 -1.199 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000959900064 664313140 /nfs/dbraw/zinc/31/31/40/664313140.db2.gz JOKOHGSQRAQWFD-SREGZZRCSA-N 1 1 319.325 -2.475 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000959898110 664313173 /nfs/dbraw/zinc/31/31/73/664313173.db2.gz ZSTSRURLTLEQKY-YABSGUDNSA-N 1 1 319.369 -1.658 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959904150 664313498 /nfs/dbraw/zinc/31/34/98/664313498.db2.gz VYKRWQGVCRFXTI-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000959904020 664313505 /nfs/dbraw/zinc/31/35/05/664313505.db2.gz VOYNEAFKHKYXPV-MIZYBKAJSA-N 1 1 305.342 -2.002 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000959926375 664313642 /nfs/dbraw/zinc/31/36/42/664313642.db2.gz QPQUVJNPFSKCBE-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000959905495 664313726 /nfs/dbraw/zinc/31/37/26/664313726.db2.gz YVBRFXOJLSTSPV-YABSGUDNSA-N 1 1 319.369 -1.658 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959969324 664314042 /nfs/dbraw/zinc/31/40/42/664314042.db2.gz VWOGBGDUEHVJJE-UXCLJVHYSA-N 1 1 322.369 -1.542 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)n1 ZINC000959965218 664314175 /nfs/dbraw/zinc/31/41/75/664314175.db2.gz JDOIKQLVXGVLNU-IAZYJMLFSA-N 1 1 304.354 -1.167 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959966372 664314197 /nfs/dbraw/zinc/31/41/97/664314197.db2.gz LMTMPVKERFRLDT-JZYVYDRUSA-N 1 1 308.342 -1.930 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967947 664314251 /nfs/dbraw/zinc/31/42/51/664314251.db2.gz PWIGQDSPVYGFDJ-WYOJIJJFSA-N 1 1 308.342 -2.196 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000960012669 664314541 /nfs/dbraw/zinc/31/45/41/664314541.db2.gz MLRZMKCMBLHXQJ-JZYVYDRUSA-N 1 1 321.385 -1.166 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000960012669 664314544 /nfs/dbraw/zinc/31/45/44/664314544.db2.gz MLRZMKCMBLHXQJ-JZYVYDRUSA-N 1 1 321.385 -1.166 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960067427 664314748 /nfs/dbraw/zinc/31/47/48/664314748.db2.gz PMFZZBNHSVMMJE-YTWAJWBKSA-N 1 1 313.379 -2.034 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960067427 664314752 /nfs/dbraw/zinc/31/47/52/664314752.db2.gz PMFZZBNHSVMMJE-YTWAJWBKSA-N 1 1 313.379 -2.034 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000960007897 664314796 /nfs/dbraw/zinc/31/47/96/664314796.db2.gz AGQMJVLXDCDZCI-MBTKJCJQSA-N 1 1 307.358 -1.427 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000960007897 664314798 /nfs/dbraw/zinc/31/47/98/664314798.db2.gz AGQMJVLXDCDZCI-MBTKJCJQSA-N 1 1 307.358 -1.427 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000960105449 664314938 /nfs/dbraw/zinc/31/49/38/664314938.db2.gz LVJAMUOFUXIMRJ-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960118587 664315753 /nfs/dbraw/zinc/31/57/53/664315753.db2.gz ZGOXDQIEEXNQBS-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1 ZINC000960157438 664316381 /nfs/dbraw/zinc/31/63/81/664316381.db2.gz HFECWDPVUABYHF-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO CC(C)N1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159452 664316853 /nfs/dbraw/zinc/31/68/53/664316853.db2.gz VYUDMNMFSRQXIW-PUHVVEEASA-N 1 1 308.382 -1.225 20 0 DAADMO CC(C)N1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159452 664316856 /nfs/dbraw/zinc/31/68/56/664316856.db2.gz VYUDMNMFSRQXIW-PUHVVEEASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960185843 664317008 /nfs/dbraw/zinc/31/70/08/664317008.db2.gz SMDXUNXEICTLHN-DCQANWLSSA-N 1 1 317.411 -1.551 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000960169782 664317052 /nfs/dbraw/zinc/31/70/52/664317052.db2.gz BVCJUVSTPKANKL-PUHVVEEASA-N 1 1 322.365 -2.026 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000960169781 664317134 /nfs/dbraw/zinc/31/71/34/664317134.db2.gz BVCJUVSTPKANKL-KZWBYHQPSA-N 1 1 322.365 -2.026 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960185848 664317252 /nfs/dbraw/zinc/31/72/52/664317252.db2.gz SMDXUNXEICTLHN-MEWQQHAOSA-N 1 1 317.411 -1.551 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000960187663 664317629 /nfs/dbraw/zinc/31/76/29/664317629.db2.gz XXTSUCJLECJKCO-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000960187663 664317630 /nfs/dbraw/zinc/31/76/30/664317630.db2.gz XXTSUCJLECJKCO-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000960265009 664317863 /nfs/dbraw/zinc/31/78/63/664317863.db2.gz NSOCLHCLXZBNFS-NTZNESFSSA-N 1 1 318.333 -1.048 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000960265006 664318209 /nfs/dbraw/zinc/31/82/09/664318209.db2.gz NSOCLHCLXZBNFS-NQBHXWOUSA-N 1 1 318.333 -1.048 20 0 DAADMO NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000960299462 664318475 /nfs/dbraw/zinc/31/84/75/664318475.db2.gz LZVQYIFBZAWFRM-IJLUTSLNSA-N 1 1 302.334 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307760 664318506 /nfs/dbraw/zinc/31/85/06/664318506.db2.gz NKRFYGAEWUCWEC-HBYGRHMLSA-N 1 1 324.381 -2.020 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960328038 664319042 /nfs/dbraw/zinc/31/90/42/664319042.db2.gz MRNDZTNGZNLOFA-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960328038 664319046 /nfs/dbraw/zinc/31/90/46/664319046.db2.gz MRNDZTNGZNLOFA-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960327008 664319146 /nfs/dbraw/zinc/31/91/46/664319146.db2.gz HQAHJYGRLHGFCM-QISWUMQESA-N 1 1 319.365 -1.425 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960334221 664319228 /nfs/dbraw/zinc/31/92/28/664319228.db2.gz FPALQPGGFPWDOJ-MCHASIABSA-N 1 1 309.326 -2.623 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960334221 664319231 /nfs/dbraw/zinc/31/92/31/664319231.db2.gz FPALQPGGFPWDOJ-MCHASIABSA-N 1 1 309.326 -2.623 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960329243 664319307 /nfs/dbraw/zinc/31/93/07/664319307.db2.gz PXZAXTYGWUWZBE-APOZVJGGSA-N 1 1 305.338 -1.686 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960371503 664319538 /nfs/dbraw/zinc/31/95/38/664319538.db2.gz FNYKIZWYYPNTMQ-MSRIBSCDSA-N 1 1 319.365 -1.181 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960371503 664319541 /nfs/dbraw/zinc/31/95/41/664319541.db2.gz FNYKIZWYYPNTMQ-MSRIBSCDSA-N 1 1 319.365 -1.181 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN2C(=O)Cn2cnnn2)C1=O ZINC000960406064 664320122 /nfs/dbraw/zinc/32/01/22/664320122.db2.gz GODXJXRLZVTZFK-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960413157 664320312 /nfs/dbraw/zinc/32/03/12/664320312.db2.gz XTLQVNIZNMGIGS-OUAUKWLOSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC000960411395 664320345 /nfs/dbraw/zinc/32/03/45/664320345.db2.gz WEGYLTKSZGTEMT-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)cn1 ZINC000960561144 664321197 /nfs/dbraw/zinc/32/11/97/664321197.db2.gz SZQQNAIABWVKHK-YABSGUDNSA-N 1 1 304.350 -1.238 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960555269 664321364 /nfs/dbraw/zinc/32/13/64/664321364.db2.gz HAJWUXHNQQUNQK-MSRIBSCDSA-N 1 1 319.365 -1.181 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960555269 664321367 /nfs/dbraw/zinc/32/13/67/664321367.db2.gz HAJWUXHNQQUNQK-MSRIBSCDSA-N 1 1 319.365 -1.181 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CN=NC1=O)[C@@H]1CCNC1=O ZINC000960573135 664321578 /nfs/dbraw/zinc/32/15/78/664321578.db2.gz YLMTYCYBUMLSDW-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000960591029 664321915 /nfs/dbraw/zinc/32/19/15/664321915.db2.gz DALCZTUGPBOQLZ-GOONRYMUSA-N 1 1 304.350 -1.081 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000960627498 664321961 /nfs/dbraw/zinc/32/19/61/664321961.db2.gz HVXLOHWFZGTVGD-YABSGUDNSA-N 1 1 304.350 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000960627498 664321966 /nfs/dbraw/zinc/32/19/66/664321966.db2.gz HVXLOHWFZGTVGD-YABSGUDNSA-N 1 1 304.350 -1.209 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1=O ZINC000960647226 664322286 /nfs/dbraw/zinc/32/22/86/664322286.db2.gz LCWWOCSJBXAQCM-MIZYBKAJSA-N 1 1 320.353 -2.483 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645241 664322375 /nfs/dbraw/zinc/32/23/75/664322375.db2.gz FWDJVKKAQRRUGC-DCQANWLSSA-N 1 1 309.370 -1.337 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN2C(=O)Cn2ncnn2)C1=O ZINC000960650045 664322396 /nfs/dbraw/zinc/32/23/96/664322396.db2.gz ACSMIXGICPGKJE-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960648576 664322470 /nfs/dbraw/zinc/32/24/70/664322470.db2.gz NOIVWWHCKLAHOG-UXCLJVHYSA-N 1 1 322.369 -2.237 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960644441 664322504 /nfs/dbraw/zinc/32/25/04/664322504.db2.gz BZOUPYWRVIQZIX-KLBPJQLPSA-N 1 1 322.369 -2.108 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC000960652372 664322537 /nfs/dbraw/zinc/32/25/37/664322537.db2.gz GCXMRSIDJPDTKR-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960650230 664322570 /nfs/dbraw/zinc/32/25/70/664322570.db2.gz RSVYJEITAFXHDC-GDGBQDQQSA-N 1 1 308.342 -2.626 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960650230 664322572 /nfs/dbraw/zinc/32/25/72/664322572.db2.gz RSVYJEITAFXHDC-GDGBQDQQSA-N 1 1 308.342 -2.626 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960633381 664322583 /nfs/dbraw/zinc/32/25/83/664322583.db2.gz ZMVGUEIWZAOAKL-KZWBYHQPSA-N 1 1 323.397 -2.319 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960633381 664322586 /nfs/dbraw/zinc/32/25/86/664322586.db2.gz ZMVGUEIWZAOAKL-KZWBYHQPSA-N 1 1 323.397 -2.319 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645388 664322602 /nfs/dbraw/zinc/32/26/02/664322602.db2.gz GKQZIAZLKDSNBY-REIXXSIJSA-N 1 1 308.342 -2.498 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645388 664322604 /nfs/dbraw/zinc/32/26/04/664322604.db2.gz GKQZIAZLKDSNBY-REIXXSIJSA-N 1 1 308.342 -2.498 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960655094 664322778 /nfs/dbraw/zinc/32/27/78/664322778.db2.gz HQJNGDHINXECFG-HBYGRHMLSA-N 1 1 323.397 -2.447 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960655094 664322781 /nfs/dbraw/zinc/32/27/81/664322781.db2.gz HQJNGDHINXECFG-HBYGRHMLSA-N 1 1 323.397 -2.447 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2cncn2C1 ZINC000960655007 664322786 /nfs/dbraw/zinc/32/27/86/664322786.db2.gz GVYGSZATVRVHHL-WUWHUORYSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2cncn2C1 ZINC000960655007 664322789 /nfs/dbraw/zinc/32/27/89/664322789.db2.gz GVYGSZATVRVHHL-WUWHUORYSA-N 1 1 303.366 -1.023 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960662305 664322799 /nfs/dbraw/zinc/32/27/99/664322799.db2.gz RIKDGFKEJQAYKA-FJJYHAOUSA-N 1 1 310.398 -1.812 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960658829 664322839 /nfs/dbraw/zinc/32/28/39/664322839.db2.gz PAUNALQDHODPRA-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1ncnn1)[C@H]1CCCNC1=O ZINC000960658219 664323049 /nfs/dbraw/zinc/32/30/49/664323049.db2.gz UGRDCBTWPKROFM-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1cn[nH]n1 ZINC000960721499 664323379 /nfs/dbraw/zinc/32/33/79/664323379.db2.gz JFIRJSISURRGAI-WOFXILAISA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960721499 664323382 /nfs/dbraw/zinc/32/33/82/664323382.db2.gz JFIRJSISURRGAI-WOFXILAISA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960721499 664323385 /nfs/dbraw/zinc/32/33/85/664323385.db2.gz JFIRJSISURRGAI-WOFXILAISA-N 1 1 318.337 -1.386 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC000960704492 664323518 /nfs/dbraw/zinc/32/35/18/664323518.db2.gz NHIGVIITWFNQMO-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC000960704492 664323520 /nfs/dbraw/zinc/32/35/20/664323520.db2.gz NHIGVIITWFNQMO-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]n1 ZINC000960746790 664323701 /nfs/dbraw/zinc/32/37/01/664323701.db2.gz ZCGIWAVPGUUPBL-SZVQBCOZSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746790 664323707 /nfs/dbraw/zinc/32/37/07/664323707.db2.gz ZCGIWAVPGUUPBL-SZVQBCOZSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746790 664323711 /nfs/dbraw/zinc/32/37/11/664323711.db2.gz ZCGIWAVPGUUPBL-SZVQBCOZSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC000960729540 664323759 /nfs/dbraw/zinc/32/37/59/664323759.db2.gz LNHSSVRQXKVMDP-NMKXLXIOSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]n1 ZINC000960746788 664323923 /nfs/dbraw/zinc/32/39/23/664323923.db2.gz ZCGIWAVPGUUPBL-IQOVXZNZSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746788 664323925 /nfs/dbraw/zinc/32/39/25/664323925.db2.gz ZCGIWAVPGUUPBL-IQOVXZNZSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746788 664323927 /nfs/dbraw/zinc/32/39/27/664323927.db2.gz ZCGIWAVPGUUPBL-IQOVXZNZSA-N 1 1 304.310 -1.730 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960760098 664324405 /nfs/dbraw/zinc/32/44/05/664324405.db2.gz RTRDCMCJLSUBCF-IWIIMEHWSA-N 1 1 309.370 -1.806 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960760098 664324408 /nfs/dbraw/zinc/32/44/08/664324408.db2.gz RTRDCMCJLSUBCF-IWIIMEHWSA-N 1 1 309.370 -1.806 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000960756094 664324478 /nfs/dbraw/zinc/32/44/78/664324478.db2.gz FFQGLWDJOXGWOB-SRRSOLGSSA-N 1 1 321.381 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2c1CC(=O)N2 ZINC000960791674 664324673 /nfs/dbraw/zinc/32/46/73/664324673.db2.gz ONGWKJKZVIDQBJ-IWIIMEHWSA-N 1 1 315.333 -1.279 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2c1CC(=O)N2 ZINC000960791674 664324674 /nfs/dbraw/zinc/32/46/74/664324674.db2.gz ONGWKJKZVIDQBJ-IWIIMEHWSA-N 1 1 315.333 -1.279 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000960797475 664324830 /nfs/dbraw/zinc/32/48/30/664324830.db2.gz AVKVEROAJUAAHK-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960849676 664325912 /nfs/dbraw/zinc/32/59/12/664325912.db2.gz BVTTVYHQABXQKX-XBWDGYHZSA-N 1 1 321.337 -2.131 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960849676 664325914 /nfs/dbraw/zinc/32/59/14/664325914.db2.gz BVTTVYHQABXQKX-XBWDGYHZSA-N 1 1 321.337 -2.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960865871 664327214 /nfs/dbraw/zinc/32/72/14/664327214.db2.gz YQPSEVAZTYWNLP-OUAUKWLOSA-N 1 1 310.354 -2.138 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000960899976 664328034 /nfs/dbraw/zinc/32/80/34/664328034.db2.gz OJMDUVACOKBREN-MEWQQHAOSA-N 1 1 323.397 -1.431 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000960899976 664328038 /nfs/dbraw/zinc/32/80/38/664328038.db2.gz OJMDUVACOKBREN-MEWQQHAOSA-N 1 1 323.397 -1.431 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000960896622 664328261 /nfs/dbraw/zinc/32/82/61/664328261.db2.gz HTBZZWIIJHFUOO-WYUUTHIRSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000960896622 664328264 /nfs/dbraw/zinc/32/82/64/664328264.db2.gz HTBZZWIIJHFUOO-WYUUTHIRSA-N 1 1 302.396 -1.150 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nn1C ZINC000960977704 664328491 /nfs/dbraw/zinc/32/84/91/664328491.db2.gz PHMYRYGMAGVIJY-XBWDGYHZSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)nn1C ZINC000960977704 664328494 /nfs/dbraw/zinc/32/84/94/664328494.db2.gz PHMYRYGMAGVIJY-XBWDGYHZSA-N 1 1 307.354 -1.038 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)o1 ZINC000960955657 664328682 /nfs/dbraw/zinc/32/86/82/664328682.db2.gz XFPAYBUHXJHNNC-SREGZZRCSA-N 1 1 318.333 -1.073 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000961045195 664329638 /nfs/dbraw/zinc/32/96/38/664329638.db2.gz JEYSMGSQUICUCM-AGIUHOORSA-N 1 1 323.397 -1.089 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961065663 664330042 /nfs/dbraw/zinc/33/00/42/664330042.db2.gz WWRCIKOPLFTXAK-BXSSEVMYSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961065663 664330044 /nfs/dbraw/zinc/33/00/44/664330044.db2.gz WWRCIKOPLFTXAK-BXSSEVMYSA-N 1 1 315.337 -1.342 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000961107193 664332947 /nfs/dbraw/zinc/33/29/47/664332947.db2.gz XCBCTAWQNUDQNU-NWDGAFQWSA-N 1 1 321.385 -1.281 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2CC1 ZINC000961260454 664335688 /nfs/dbraw/zinc/33/56/88/664335688.db2.gz CHDLCWLFQAGYGU-KZWBYHQPSA-N 1 1 318.381 -1.238 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2CC1 ZINC000961260454 664335690 /nfs/dbraw/zinc/33/56/90/664335690.db2.gz CHDLCWLFQAGYGU-KZWBYHQPSA-N 1 1 318.381 -1.238 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2CC1 ZINC000961260456 664335954 /nfs/dbraw/zinc/33/59/54/664335954.db2.gz CHDLCWLFQAGYGU-PUHVVEEASA-N 1 1 318.381 -1.238 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2CC1 ZINC000961260456 664335957 /nfs/dbraw/zinc/33/59/57/664335957.db2.gz CHDLCWLFQAGYGU-PUHVVEEASA-N 1 1 318.381 -1.238 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961290112 664336575 /nfs/dbraw/zinc/33/65/75/664336575.db2.gz UYJMEROHYRMCLM-PFWNZEGQSA-N 1 1 319.365 -1.296 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC000961313739 664337026 /nfs/dbraw/zinc/33/70/26/664337026.db2.gz OGNXOGAUXJTKRY-GOONRYMUSA-N 1 1 306.370 -1.239 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC000961313739 664337028 /nfs/dbraw/zinc/33/70/28/664337028.db2.gz OGNXOGAUXJTKRY-GOONRYMUSA-N 1 1 306.370 -1.239 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961352241 664337650 /nfs/dbraw/zinc/33/76/50/664337650.db2.gz XZIAXWFYSYBPOI-DCQANWLSSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961352241 664337653 /nfs/dbraw/zinc/33/76/53/664337653.db2.gz XZIAXWFYSYBPOI-DCQANWLSSA-N 1 1 302.396 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961343825 664337718 /nfs/dbraw/zinc/33/77/18/664337718.db2.gz SVYJMANZIUDBEG-CNABLZDZSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961343825 664337721 /nfs/dbraw/zinc/33/77/21/664337721.db2.gz SVYJMANZIUDBEG-CNABLZDZSA-N 1 1 306.322 -1.088 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)N(C(C)=O)C1 ZINC000961360793 664337950 /nfs/dbraw/zinc/33/79/50/664337950.db2.gz SVJCPHXLLUSWMB-ODXJTPSBSA-N 1 1 311.382 -1.339 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC000961444491 664340403 /nfs/dbraw/zinc/34/04/03/664340403.db2.gz CGWLTQKSSPEBSW-KIGUWFBYSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC000961444491 664340406 /nfs/dbraw/zinc/34/04/06/664340406.db2.gz CGWLTQKSSPEBSW-KIGUWFBYSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)nn1-c1nc[nH]n1 ZINC000961444086 664340570 /nfs/dbraw/zinc/34/05/70/664340570.db2.gz ZWMNUQFRRTXXJD-MYJAWHEDSA-N 1 1 318.341 -1.654 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC000961463064 664342138 /nfs/dbraw/zinc/34/21/38/664342138.db2.gz ZLYAZBKLPVBICM-URLYPYJESA-N 1 1 308.338 -1.472 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)NC1=O ZINC000961462631 664342398 /nfs/dbraw/zinc/34/23/98/664342398.db2.gz CDZXGKJXNRRXLC-WHOHXGKFSA-N 1 1 319.369 -1.652 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC000961462674 664342404 /nfs/dbraw/zinc/34/24/04/664342404.db2.gz CFWSSXDCPYGZHI-WYOJIJJFSA-N 1 1 307.354 -1.080 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C(=O)N2)cn1 ZINC000961471905 664342879 /nfs/dbraw/zinc/34/28/79/664342879.db2.gz WBMAMEYHIUXYCC-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961482362 664343227 /nfs/dbraw/zinc/34/32/27/664343227.db2.gz UTGFUIXUECWGJH-UUIJZJDISA-N 1 1 310.398 -1.501 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC000961483183 664343464 /nfs/dbraw/zinc/34/34/64/664343464.db2.gz RDHCWFNKAWSMEP-CIQGVGRVSA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)n1 ZINC000961497274 664343943 /nfs/dbraw/zinc/34/39/43/664343943.db2.gz KIUMGTFAVPDURO-GDNZZTSVSA-N 1 1 316.369 -1.154 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnn(C)n2)C1=O ZINC000961501585 664344319 /nfs/dbraw/zinc/34/43/19/664344319.db2.gz YNVCBDHLPFNMOF-ZRUFSTJUSA-N 1 1 319.369 -1.509 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCN(C)C4=O)C[C@H]32)n1 ZINC000961502305 664344450 /nfs/dbraw/zinc/34/44/50/664344450.db2.gz DDGFYYVSBPFVOU-YTWAJWBKSA-N 1 1 319.369 -1.509 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000961500638 664344476 /nfs/dbraw/zinc/34/44/76/664344476.db2.gz WGZAVPHKHFCPMD-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1)C1CC1 ZINC000961508416 664344850 /nfs/dbraw/zinc/34/48/50/664344850.db2.gz WLQNYRFTZMSBHI-IAZYJMLFSA-N 1 1 319.369 -1.509 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1)C1CC1 ZINC000961508416 664344854 /nfs/dbraw/zinc/34/48/54/664344854.db2.gz WLQNYRFTZMSBHI-IAZYJMLFSA-N 1 1 319.369 -1.509 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC000961541463 664345471 /nfs/dbraw/zinc/34/54/71/664345471.db2.gz OXLMQVUKIRZINO-DCQANWLSSA-N 1 1 308.382 -1.401 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC000961546257 664345901 /nfs/dbraw/zinc/34/59/01/664345901.db2.gz GTUKXGFTCLSNDH-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346946 /nfs/dbraw/zinc/34/69/46/664346946.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 1 1 310.398 -1.373 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961578849 664346949 /nfs/dbraw/zinc/34/69/49/664346949.db2.gz BIDCHEHFPGUZNP-KZVDOYCCSA-N 1 1 310.398 -1.373 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961591168 664347193 /nfs/dbraw/zinc/34/71/93/664347193.db2.gz UTHIHDURADDUAN-BBGACYKPSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961591168 664347197 /nfs/dbraw/zinc/34/71/97/664347197.db2.gz UTHIHDURADDUAN-BBGACYKPSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347227 /nfs/dbraw/zinc/34/72/27/664347227.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 1 1 310.398 -1.373 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961578848 664347231 /nfs/dbraw/zinc/34/72/31/664347231.db2.gz BIDCHEHFPGUZNP-CZXHOFHRSA-N 1 1 310.398 -1.373 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961620224 664347624 /nfs/dbraw/zinc/34/76/24/664347624.db2.gz FEEOXQJMTAPYJT-IWIIMEHWSA-N 1 1 315.337 -1.241 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961620224 664347628 /nfs/dbraw/zinc/34/76/28/664347628.db2.gz FEEOXQJMTAPYJT-IWIIMEHWSA-N 1 1 315.337 -1.241 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961602879 664347697 /nfs/dbraw/zinc/34/76/97/664347697.db2.gz VYSSQMHZMPCCBS-PZWLIILKSA-N 1 1 320.349 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961602879 664347698 /nfs/dbraw/zinc/34/76/98/664347698.db2.gz VYSSQMHZMPCCBS-PZWLIILKSA-N 1 1 320.349 -1.159 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000961619316 664347743 /nfs/dbraw/zinc/34/77/43/664347743.db2.gz BJRSMYCBEXGIHV-RBPQBLHMSA-N 1 1 303.322 -1.682 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961621826 664348222 /nfs/dbraw/zinc/34/82/22/664348222.db2.gz INFDHODQHBLVLI-QISWUMQESA-N 1 1 319.365 -1.093 20 0 DAADMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)on1 ZINC000961630092 664348709 /nfs/dbraw/zinc/34/87/09/664348709.db2.gz PKCWAALBJOYVIM-MIZYBKAJSA-N 1 1 321.337 -1.089 20 0 DAADMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)on1 ZINC000961630092 664348711 /nfs/dbraw/zinc/34/87/11/664348711.db2.gz PKCWAALBJOYVIM-MIZYBKAJSA-N 1 1 321.337 -1.089 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC000961638658 664349416 /nfs/dbraw/zinc/34/94/16/664349416.db2.gz MUTKSBSWMSLQOI-PJXYFTJBSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC000961638658 664349419 /nfs/dbraw/zinc/34/94/19/664349419.db2.gz MUTKSBSWMSLQOI-PJXYFTJBSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC000961633508 664349440 /nfs/dbraw/zinc/34/94/40/664349440.db2.gz YYLMIARWUNCATM-MIZYBKAJSA-N 1 1 307.354 -2.054 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961633505 664349447 /nfs/dbraw/zinc/34/94/47/664349447.db2.gz YWFKHDABKVFQFU-WHOHXGKFSA-N 1 1 319.369 -1.474 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961633505 664349450 /nfs/dbraw/zinc/34/94/50/664349450.db2.gz YWFKHDABKVFQFU-WHOHXGKFSA-N 1 1 319.369 -1.474 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961644854 664349840 /nfs/dbraw/zinc/34/98/40/664349840.db2.gz ZUDSLVSZNBAGCP-YTWAJWBKSA-N 1 1 305.342 -1.994 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC000961647776 664350421 /nfs/dbraw/zinc/35/04/21/664350421.db2.gz MAFFWQHEVYFWIW-UXCLJVHYSA-N 1 1 310.354 -2.499 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC000961652119 664350451 /nfs/dbraw/zinc/35/04/51/664350451.db2.gz WHUUJYVBHQREHX-IMSYWVGJSA-N 1 1 301.368 -2.047 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC000961652062 664350644 /nfs/dbraw/zinc/35/06/44/664350644.db2.gz WDPPAAQQXMOIAI-UKKRHICBSA-N 1 1 315.395 -1.657 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC000961649561 664350706 /nfs/dbraw/zinc/35/07/06/664350706.db2.gz OWTLUBVXBQGGGM-MYJAWHEDSA-N 1 1 316.383 -2.446 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961701407 664353719 /nfs/dbraw/zinc/35/37/19/664353719.db2.gz NGNRYBHAVMRYGH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961701407 664353723 /nfs/dbraw/zinc/35/37/23/664353723.db2.gz NGNRYBHAVMRYGH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC000961711257 664353805 /nfs/dbraw/zinc/35/38/05/664353805.db2.gz OREZAPOAFIMIQJ-VWFLFCASSA-N 1 1 308.382 -1.210 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961733446 664354112 /nfs/dbraw/zinc/35/41/12/664354112.db2.gz BWIYDOWWRKJMSJ-BRPSZJMVSA-N 1 1 315.355 -2.291 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961737028 664354339 /nfs/dbraw/zinc/35/43/39/664354339.db2.gz KWLXZEZKCWFVIX-WGNDUZGJSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961737028 664354342 /nfs/dbraw/zinc/35/43/42/664354342.db2.gz KWLXZEZKCWFVIX-WGNDUZGJSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CCNC1=O ZINC000961741032 664354571 /nfs/dbraw/zinc/35/45/71/664354571.db2.gz CZIRUGVHKWCJAG-KTSGXFQWSA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CN3CN=NC3=O)C2)n1 ZINC000961738177 664354994 /nfs/dbraw/zinc/35/49/94/664354994.db2.gz YJCNNNJABIXZLJ-UHFFFAOYSA-N 1 1 321.345 -1.808 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000961748094 664355520 /nfs/dbraw/zinc/35/55/20/664355520.db2.gz YOWDZBPGLSAVSC-VLLVSFFDSA-N 1 1 324.381 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000961765471 664356087 /nfs/dbraw/zinc/35/60/87/664356087.db2.gz SRQYIHPSHYXBIA-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000961765471 664356088 /nfs/dbraw/zinc/35/60/88/664356088.db2.gz SRQYIHPSHYXBIA-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CCNC1=O ZINC000961754340 664356098 /nfs/dbraw/zinc/35/60/98/664356098.db2.gz ZHAQAKUNEUGUAK-KTSGXFQWSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CCNC1=O ZINC000961754340 664356101 /nfs/dbraw/zinc/35/61/01/664356101.db2.gz ZHAQAKUNEUGUAK-KTSGXFQWSA-N 1 1 320.393 -1.162 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000961782952 664356555 /nfs/dbraw/zinc/35/65/55/664356555.db2.gz UXIKDCMXEOGOMD-LVEVGFFFSA-N 1 1 304.354 -1.517 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000961782952 664356557 /nfs/dbraw/zinc/35/65/57/664356557.db2.gz UXIKDCMXEOGOMD-LVEVGFFFSA-N 1 1 304.354 -1.517 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000961793511 664356839 /nfs/dbraw/zinc/35/68/39/664356839.db2.gz KAJFEXFEJCPUCB-LVEVGFFFSA-N 1 1 304.354 -1.554 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnc2c1CCCC2 ZINC000961793146 664356902 /nfs/dbraw/zinc/35/69/02/664356902.db2.gz XRHUDDOJFGJRRW-RTUWITSCSA-N 1 1 318.381 -1.311 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnc2c1CCCC2 ZINC000961793146 664356904 /nfs/dbraw/zinc/35/69/04/664356904.db2.gz XRHUDDOJFGJRRW-RTUWITSCSA-N 1 1 318.381 -1.311 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000961803211 664357545 /nfs/dbraw/zinc/35/75/45/664357545.db2.gz QEVPWJYSVIHHLC-SVPLCASGSA-N 1 1 322.409 -1.155 20 0 DAADMO Cc1nc(CC(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)n[nH]1 ZINC000961820481 664358140 /nfs/dbraw/zinc/35/81/40/664358140.db2.gz IWGVTPNQYNTGPG-UHFFFAOYSA-N 1 1 319.373 -1.136 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccnnc1 ZINC000961867463 664358993 /nfs/dbraw/zinc/35/89/93/664358993.db2.gz MKBATAMCRUTRTN-SRRSOLGSSA-N 1 1 315.333 -1.058 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961914678 664360716 /nfs/dbraw/zinc/36/07/16/664360716.db2.gz LTIMPTGDLREGFY-MCHASIABSA-N 1 1 309.326 -2.623 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961914678 664360717 /nfs/dbraw/zinc/36/07/17/664360717.db2.gz LTIMPTGDLREGFY-MCHASIABSA-N 1 1 309.326 -2.623 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961900244 664360851 /nfs/dbraw/zinc/36/08/51/664360851.db2.gz RFELVBVHZZCTKW-FOGDFJRCSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC000961927960 664361183 /nfs/dbraw/zinc/36/11/83/664361183.db2.gz KNSKSYBSZSEJLR-MXWKQRLJSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC000961927692 664361276 /nfs/dbraw/zinc/36/12/76/664361276.db2.gz JOTKZTRFKIYYMU-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC000961927963 664361394 /nfs/dbraw/zinc/36/13/94/664361394.db2.gz KNSKSYBSZSEJLR-VWYCJHECSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC000961924254 664361574 /nfs/dbraw/zinc/36/15/74/664361574.db2.gz WHNOIPOPPKIOEO-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000961924254 664361576 /nfs/dbraw/zinc/36/15/76/664361576.db2.gz WHNOIPOPPKIOEO-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000961924254 664361579 /nfs/dbraw/zinc/36/15/79/664361579.db2.gz WHNOIPOPPKIOEO-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O ZINC000961923396 664361715 /nfs/dbraw/zinc/36/17/15/664361715.db2.gz KZZFJOWWGNUEKS-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961927445 664361772 /nfs/dbraw/zinc/36/17/72/664361772.db2.gz HKNSJVNQRODKGO-MXWKQRLJSA-N 1 1 322.369 -1.789 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000961936684 664362144 /nfs/dbraw/zinc/36/21/44/664362144.db2.gz DNVRANWQQPYVMR-JZYVYDRUSA-N 1 1 308.338 -1.137 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn2nccc2c1=O ZINC000961933206 664362195 /nfs/dbraw/zinc/36/21/95/664362195.db2.gz RFKOQZLDENBRQS-IWIIMEHWSA-N 1 1 302.338 -1.043 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961933312 664362203 /nfs/dbraw/zinc/36/22/03/664362203.db2.gz UPKLXTMSHDAOFU-MXWKQRLJSA-N 1 1 323.353 -1.226 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000961931228 664362369 /nfs/dbraw/zinc/36/23/69/664362369.db2.gz KPVPLINXGQAUII-IWIIMEHWSA-N 1 1 320.328 -1.093 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000961931228 664362372 /nfs/dbraw/zinc/36/23/72/664362372.db2.gz KPVPLINXGQAUII-IWIIMEHWSA-N 1 1 320.328 -1.093 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)n(C)c1=O ZINC000961933869 664362596 /nfs/dbraw/zinc/36/25/96/664362596.db2.gz UBFDRVNFHLVPEX-JZYVYDRUSA-N 1 1 308.338 -2.264 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961931778 664362627 /nfs/dbraw/zinc/36/26/27/664362627.db2.gz MJNCZTCIVOZGBJ-IWIIMEHWSA-N 1 1 318.337 -2.070 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(OC)n1 ZINC000961948202 664362731 /nfs/dbraw/zinc/36/27/31/664362731.db2.gz HNSBBIFFGCZATC-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(OC)n1 ZINC000961948202 664362736 /nfs/dbraw/zinc/36/27/36/664362736.db2.gz HNSBBIFFGCZATC-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000961937955 664362895 /nfs/dbraw/zinc/36/28/95/664362895.db2.gz HVBAPCMLSQBZBO-MTBHXBHISA-N 1 1 323.309 -3.061 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000961937955 664362897 /nfs/dbraw/zinc/36/28/97/664362897.db2.gz HVBAPCMLSQBZBO-MTBHXBHISA-N 1 1 323.309 -3.061 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCCNC3=O)C2)n1 ZINC000961947761 664362918 /nfs/dbraw/zinc/36/29/18/664362918.db2.gz DPVUQYFJDCSSPY-ILDUYXDCSA-N 1 1 321.385 -1.279 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000961936787 664362996 /nfs/dbraw/zinc/36/29/96/664362996.db2.gz VWPVCVOLPDGGGG-PHIMTYICSA-N 1 1 305.338 -1.406 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1=O ZINC000961939119 664363001 /nfs/dbraw/zinc/36/30/01/664363001.db2.gz MCTUKIMBGXPQMP-IAZYJMLFSA-N 1 1 320.349 -1.137 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000961965776 664363758 /nfs/dbraw/zinc/36/37/58/664363758.db2.gz DHNUSGSTHWWXNM-KZVDOYCCSA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000961965776 664363760 /nfs/dbraw/zinc/36/37/60/664363760.db2.gz DHNUSGSTHWWXNM-KZVDOYCCSA-N 1 1 320.393 -1.081 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)C1 ZINC000961993275 664364279 /nfs/dbraw/zinc/36/42/79/664364279.db2.gz PUACCVAATWCEFB-RDBSUJKOSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)C1 ZINC000961993275 664364281 /nfs/dbraw/zinc/36/42/81/664364281.db2.gz PUACCVAATWCEFB-RDBSUJKOSA-N 1 1 323.393 -1.029 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1(n2cnnn2)CCOCC1 ZINC000962007270 664364620 /nfs/dbraw/zinc/36/46/20/664364620.db2.gz BDUCWOTZGDNREN-GDNZZTSVSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000962044450 664366044 /nfs/dbraw/zinc/36/60/44/664366044.db2.gz AAVSIOIEMVVSIO-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000962044450 664366047 /nfs/dbraw/zinc/36/60/47/664366047.db2.gz AAVSIOIEMVVSIO-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)C1 ZINC000962046945 664366075 /nfs/dbraw/zinc/36/60/75/664366075.db2.gz LMJQEYXHGUWISK-NTZNESFSSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)C1 ZINC000962046945 664366079 /nfs/dbraw/zinc/36/60/79/664366079.db2.gz LMJQEYXHGUWISK-NTZNESFSSA-N 1 1 323.349 -1.088 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045269 664366182 /nfs/dbraw/zinc/36/61/82/664366182.db2.gz CZTSTKGNYKKEBT-OTXLDYLQSA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045269 664366184 /nfs/dbraw/zinc/36/61/84/664366184.db2.gz CZTSTKGNYKKEBT-OTXLDYLQSA-N 1 1 311.382 -1.029 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000962042398 664366213 /nfs/dbraw/zinc/36/62/13/664366213.db2.gz KMFHHOAFJXBTHD-RBPQBLHMSA-N 1 1 318.337 -1.720 20 0 DAADMO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCOCC1 ZINC000962043239 664366294 /nfs/dbraw/zinc/36/62/94/664366294.db2.gz NOANVAINMLDCKR-PJXYFTJBSA-N 1 1 310.398 -1.371 20 0 DAADMO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCOCC1 ZINC000962043239 664366297 /nfs/dbraw/zinc/36/62/97/664366297.db2.gz NOANVAINMLDCKR-PJXYFTJBSA-N 1 1 310.398 -1.371 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CC(=O)NC(=O)C1 ZINC000962043483 664366358 /nfs/dbraw/zinc/36/63/58/664366358.db2.gz PRCQRQJTBNZUCP-COMAGPEQSA-N 1 1 320.349 -2.026 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000962046318 664366420 /nfs/dbraw/zinc/36/64/20/664366420.db2.gz ILZCCNUBUCMEOZ-VWYCJHECSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000962046318 664366423 /nfs/dbraw/zinc/36/64/23/664366423.db2.gz ILZCCNUBUCMEOZ-VWYCJHECSA-N 1 1 323.353 -1.958 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)n1 ZINC000962043337 664366443 /nfs/dbraw/zinc/36/64/43/664366443.db2.gz LSNMOAMCHCBWKF-DMWPJOQESA-N 1 1 304.354 -1.246 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2O)C1 ZINC000962048592 664366572 /nfs/dbraw/zinc/36/65/72/664366572.db2.gz SQIPOBBRFCQKNE-RDBSUJKOSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2O)C1 ZINC000962048592 664366576 /nfs/dbraw/zinc/36/65/76/664366576.db2.gz SQIPOBBRFCQKNE-RDBSUJKOSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)C1 ZINC000962055081 664366593 /nfs/dbraw/zinc/36/65/93/664366593.db2.gz PLXVUENAZTZZSP-WOPDTQHZSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)C1 ZINC000962055081 664366597 /nfs/dbraw/zinc/36/65/97/664366597.db2.gz PLXVUENAZTZZSP-WOPDTQHZSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2O)C1 ZINC000962049238 664366665 /nfs/dbraw/zinc/36/66/65/664366665.db2.gz WIGCDXPFUKOIRG-VWYCJHECSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2O)C1 ZINC000962049238 664366669 /nfs/dbraw/zinc/36/66/69/664366669.db2.gz WIGCDXPFUKOIRG-VWYCJHECSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000962047517 664366724 /nfs/dbraw/zinc/36/67/24/664366724.db2.gz OMQVMKCSSKTDHH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000962047517 664366729 /nfs/dbraw/zinc/36/67/29/664366729.db2.gz OMQVMKCSSKTDHH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962047495 664366861 /nfs/dbraw/zinc/36/68/61/664366861.db2.gz OGBJWPXHMHAMGD-FRRDWIJNSA-N 1 1 311.382 -1.029 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962047495 664366862 /nfs/dbraw/zinc/36/68/62/664366862.db2.gz OGBJWPXHMHAMGD-FRRDWIJNSA-N 1 1 311.382 -1.029 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962048918 664366883 /nfs/dbraw/zinc/36/68/83/664366883.db2.gz SXJUYMMSONOIKE-VWYCJHECSA-N 1 1 317.411 -1.632 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962048918 664366886 /nfs/dbraw/zinc/36/68/86/664366886.db2.gz SXJUYMMSONOIKE-VWYCJHECSA-N 1 1 317.411 -1.632 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)ccc1=O ZINC000962067403 664367008 /nfs/dbraw/zinc/36/70/08/664367008.db2.gz NMGCHRULKHPBPT-QISWUMQESA-N 1 1 319.365 -1.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2O)C1 ZINC000962049237 664367015 /nfs/dbraw/zinc/36/70/15/664367015.db2.gz WIGCDXPFUKOIRG-OUAUKWLOSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2O)C1 ZINC000962049237 664367018 /nfs/dbraw/zinc/36/70/18/664367018.db2.gz WIGCDXPFUKOIRG-OUAUKWLOSA-N 1 1 317.361 -1.247 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962068475 664367284 /nfs/dbraw/zinc/36/72/84/664367284.db2.gz QIYSRWSXXBNBQG-XBWDGYHZSA-N 1 1 323.353 -2.281 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccncn1 ZINC000962082975 664367392 /nfs/dbraw/zinc/36/73/92/664367392.db2.gz MHPUBZXPOSNOBF-IZWKTGJZSA-N 1 1 315.333 -1.058 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962069954 664367490 /nfs/dbraw/zinc/36/74/90/664367490.db2.gz YKRUWUXJXCFWCC-DNJQJEMRSA-N 1 1 310.354 -1.381 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nnc[nH]1 ZINC000962085121 664367499 /nfs/dbraw/zinc/36/74/99/664367499.db2.gz NYOKDHSGGPPRRM-PYHGXSLLSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962085121 664367501 /nfs/dbraw/zinc/36/75/01/664367501.db2.gz NYOKDHSGGPPRRM-PYHGXSLLSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962085121 664367504 /nfs/dbraw/zinc/36/75/04/664367504.db2.gz NYOKDHSGGPPRRM-PYHGXSLLSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962085121 664367508 /nfs/dbraw/zinc/36/75/08/664367508.db2.gz NYOKDHSGGPPRRM-PYHGXSLLSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962085121 664367511 /nfs/dbraw/zinc/36/75/11/664367511.db2.gz NYOKDHSGGPPRRM-PYHGXSLLSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1)N1CCOCC1 ZINC000962110057 664368013 /nfs/dbraw/zinc/36/80/13/664368013.db2.gz OIXWINIYHGCIPD-IWIIMEHWSA-N 1 1 321.337 -1.412 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1)N1CCOCC1 ZINC000962110057 664368016 /nfs/dbraw/zinc/36/80/16/664368016.db2.gz OIXWINIYHGCIPD-IWIIMEHWSA-N 1 1 321.337 -1.412 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC000962155400 664368568 /nfs/dbraw/zinc/36/85/68/664368568.db2.gz QGXMBMOQUPRJJN-DMWPJOQESA-N 1 1 317.349 -1.338 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)n1 ZINC000962123095 664368592 /nfs/dbraw/zinc/36/85/92/664368592.db2.gz HHVSOOOQLSJDAH-FDZGAKKTSA-N 1 1 321.385 -1.279 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000962162811 664368949 /nfs/dbraw/zinc/36/89/49/664368949.db2.gz JNRPAOWTBOSCKK-BSJXLVFVSA-N 1 1 304.354 -1.154 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC000962164025 664369072 /nfs/dbraw/zinc/36/90/72/664369072.db2.gz IHCZIHUSITWUCV-RTBKNWGFSA-N 1 1 307.358 -1.669 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cn(C[C@@H]2CCOC2)nn1 ZINC000962176060 664369367 /nfs/dbraw/zinc/36/93/67/664369367.db2.gz MHXHSYAULMMKCN-CIQGVGRVSA-N 1 1 321.381 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216785 664369776 /nfs/dbraw/zinc/36/97/76/664369776.db2.gz IJOFHXGPRNTYJR-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216785 664369777 /nfs/dbraw/zinc/36/97/77/664369777.db2.gz IJOFHXGPRNTYJR-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC000962216294 664369804 /nfs/dbraw/zinc/36/98/04/664369804.db2.gz FTIDEMSMYZNTBO-VQXHTEKXSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962219680 664370147 /nfs/dbraw/zinc/37/01/47/664370147.db2.gz DTZGLZUINQMENS-IWIIMEHWSA-N 1 1 310.354 -1.643 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cn([C@@H]2CCOC2)nn1 ZINC000962227675 664370299 /nfs/dbraw/zinc/37/02/99/664370299.db2.gz GQMZFXRPUQTBSL-DCQANWLSSA-N 1 1 307.354 -1.108 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962236166 664370888 /nfs/dbraw/zinc/37/08/88/664370888.db2.gz NJHFFSATXUCLIV-CIQGVGRVSA-N 1 1 322.409 -1.011 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000962248277 664370898 /nfs/dbraw/zinc/37/08/98/664370898.db2.gz BAYGBWHKFGYYJO-IWIIMEHWSA-N 1 1 319.369 -1.581 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC000962248277 664370900 /nfs/dbraw/zinc/37/09/00/664370900.db2.gz BAYGBWHKFGYYJO-IWIIMEHWSA-N 1 1 319.369 -1.581 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000962248277 664370904 /nfs/dbraw/zinc/37/09/04/664370904.db2.gz BAYGBWHKFGYYJO-IWIIMEHWSA-N 1 1 319.369 -1.581 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252187 664371170 /nfs/dbraw/zinc/37/11/70/664371170.db2.gz OAUOEUBUBXVTFB-QRIDJOKKSA-N 1 1 318.337 -1.801 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252187 664371174 /nfs/dbraw/zinc/37/11/74/664371174.db2.gz OAUOEUBUBXVTFB-QRIDJOKKSA-N 1 1 318.337 -1.801 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252187 664371177 /nfs/dbraw/zinc/37/11/77/664371177.db2.gz OAUOEUBUBXVTFB-QRIDJOKKSA-N 1 1 318.337 -1.801 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250398 664371478 /nfs/dbraw/zinc/37/14/78/664371478.db2.gz INVFUMVZWOIPMZ-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)n1 ZINC000962266718 664371792 /nfs/dbraw/zinc/37/17/92/664371792.db2.gz JSRMGWMIJJFKTG-FDZGAKKTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1cc(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)[nH]c1=O ZINC000962269651 664371804 /nfs/dbraw/zinc/37/18/04/664371804.db2.gz ZHOIUFPTSVHSRV-UHFFFAOYSA-N 1 1 320.357 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962283790 664372257 /nfs/dbraw/zinc/37/22/57/664372257.db2.gz DVDACBCMCKVJSN-XBWDGYHZSA-N 1 1 323.353 -2.199 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962283790 664372263 /nfs/dbraw/zinc/37/22/63/664372263.db2.gz DVDACBCMCKVJSN-XBWDGYHZSA-N 1 1 323.353 -2.199 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962291018 664372284 /nfs/dbraw/zinc/37/22/84/664372284.db2.gz XNLZDPCFXKTQAG-QISWUMQESA-N 1 1 310.354 -1.692 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962284487 664372409 /nfs/dbraw/zinc/37/24/09/664372409.db2.gz DYVKWQUTMJEKPI-JDICNCQASA-N 1 1 309.326 -2.588 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962284487 664372412 /nfs/dbraw/zinc/37/24/12/664372412.db2.gz DYVKWQUTMJEKPI-JDICNCQASA-N 1 1 309.326 -2.588 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962290295 664372424 /nfs/dbraw/zinc/37/24/24/664372424.db2.gz WBVSRLGZNPWYAT-PUHVVEEASA-N 1 1 324.381 -1.038 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC000962286747 664372589 /nfs/dbraw/zinc/37/25/89/664372589.db2.gz KUXIAQJLGAGVSO-IWIIMEHWSA-N 1 1 310.354 -1.691 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NC1CC1 ZINC000962348644 664373362 /nfs/dbraw/zinc/37/33/62/664373362.db2.gz VDGULMVTXSREBW-BBGACYKPSA-N 1 1 306.366 -1.410 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NC1CC1 ZINC000962348644 664373365 /nfs/dbraw/zinc/37/33/65/664373365.db2.gz VDGULMVTXSREBW-BBGACYKPSA-N 1 1 306.366 -1.410 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962332318 664373408 /nfs/dbraw/zinc/37/34/08/664373408.db2.gz PJTPHLJNTKDXKY-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962332318 664373410 /nfs/dbraw/zinc/37/34/10/664373410.db2.gz PJTPHLJNTKDXKY-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962339460 664373511 /nfs/dbraw/zinc/37/35/11/664373511.db2.gz SPHIYZIQOHQSKR-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC000962339371 664373597 /nfs/dbraw/zinc/37/35/97/664373597.db2.gz SAKDTKBXLUYBEE-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC000962339371 664373600 /nfs/dbraw/zinc/37/36/00/664373600.db2.gz SAKDTKBXLUYBEE-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)n1 ZINC000962351354 664373895 /nfs/dbraw/zinc/37/38/95/664373895.db2.gz HMTBBJQCMLOYGT-PUHVVEEASA-N 1 1 319.365 -1.528 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)n1 ZINC000962351354 664373898 /nfs/dbraw/zinc/37/38/98/664373898.db2.gz HMTBBJQCMLOYGT-PUHVVEEASA-N 1 1 319.365 -1.528 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000962356003 664374093 /nfs/dbraw/zinc/37/40/93/664374093.db2.gz YICYBDYELMGARC-MSRIBSCDSA-N 1 1 305.338 -1.917 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000962356003 664374095 /nfs/dbraw/zinc/37/40/95/664374095.db2.gz YICYBDYELMGARC-MSRIBSCDSA-N 1 1 305.338 -1.917 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)cnn1C ZINC000962403122 664374513 /nfs/dbraw/zinc/37/45/13/664374513.db2.gz HVGKYJRQRNTWIL-CPOMMVLXSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)cnn1C ZINC000962403122 664374517 /nfs/dbraw/zinc/37/45/17/664374517.db2.gz HVGKYJRQRNTWIL-CPOMMVLXSA-N 1 1 307.354 -1.038 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962410180 664374907 /nfs/dbraw/zinc/37/49/07/664374907.db2.gz VFJDKYYCQVSREU-CXTNEJHOSA-N 1 1 322.409 -1.011 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC000962416626 664375613 /nfs/dbraw/zinc/37/56/13/664375613.db2.gz LIFHSXIOEXQYCU-HSOILSAZSA-N 1 1 321.385 -1.137 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)C1 ZINC000962429703 664375781 /nfs/dbraw/zinc/37/57/81/664375781.db2.gz JQIUCCNGHIMHTN-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962430100 664375859 /nfs/dbraw/zinc/37/58/59/664375859.db2.gz LGVNMVLTIIKTGY-PJXYFTJBSA-N 1 1 309.370 -1.417 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CCOC)c1 ZINC000962434813 664375910 /nfs/dbraw/zinc/37/59/10/664375910.db2.gz OSIJSGFUKZMGSI-IMRBUKKESA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CCOC)c1 ZINC000962434813 664375912 /nfs/dbraw/zinc/37/59/12/664375912.db2.gz OSIJSGFUKZMGSI-IMRBUKKESA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962430259 664376096 /nfs/dbraw/zinc/37/60/96/664376096.db2.gz LVDZRFZBKBJISB-IWIIMEHWSA-N 1 1 322.369 -2.317 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962430259 664376098 /nfs/dbraw/zinc/37/60/98/664376098.db2.gz LVDZRFZBKBJISB-IWIIMEHWSA-N 1 1 322.369 -2.317 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000962436857 664376154 /nfs/dbraw/zinc/37/61/54/664376154.db2.gz KXJXBTIKZKZDOP-RQJABVFESA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962469298 664376421 /nfs/dbraw/zinc/37/64/21/664376421.db2.gz PCXVZOWCPYLFSP-APOZVJGGSA-N 1 1 305.338 -1.686 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000962476932 664376984 /nfs/dbraw/zinc/37/69/84/664376984.db2.gz RLTWTDAXEHMNJY-PJXYFTJBSA-N 1 1 302.342 -1.384 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962479570 664377053 /nfs/dbraw/zinc/37/70/53/664377053.db2.gz AKUDQUMWSYNCIH-LEQIOUOKSA-N 1 1 309.326 -2.542 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962479570 664377056 /nfs/dbraw/zinc/37/70/56/664377056.db2.gz AKUDQUMWSYNCIH-LEQIOUOKSA-N 1 1 309.326 -2.542 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962473602 664377095 /nfs/dbraw/zinc/37/70/95/664377095.db2.gz HEGFHXQQKVDWRF-DCQANWLSSA-N 1 1 306.370 -1.199 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962478208 664377175 /nfs/dbraw/zinc/37/71/75/664377175.db2.gz VQJYRGKCQGTQPI-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962483599 664377395 /nfs/dbraw/zinc/37/73/95/664377395.db2.gz MSLZSCIERXRNCY-JDICNCQASA-N 1 1 309.326 -2.588 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962483599 664377399 /nfs/dbraw/zinc/37/73/99/664377399.db2.gz MSLZSCIERXRNCY-JDICNCQASA-N 1 1 309.326 -2.588 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000962489638 664377491 /nfs/dbraw/zinc/37/74/91/664377491.db2.gz QSOUBUSGYUCQIQ-SRRSOLGSSA-N 1 1 304.354 -1.397 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962481194 664377662 /nfs/dbraw/zinc/37/76/62/664377662.db2.gz GGQDKKCXOBYUDU-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962492897 664377883 /nfs/dbraw/zinc/37/78/83/664377883.db2.gz RTEWVWVFWHBFBQ-PUHVVEEASA-N 1 1 324.381 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497072 664378207 /nfs/dbraw/zinc/37/82/07/664378207.db2.gz RHYDCRQAHYAKRC-QRJZZWFUSA-N 1 1 308.338 -2.072 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497072 664378209 /nfs/dbraw/zinc/37/82/09/664378209.db2.gz RHYDCRQAHYAKRC-QRJZZWFUSA-N 1 1 308.338 -2.072 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962515763 664378276 /nfs/dbraw/zinc/37/82/76/664378276.db2.gz ZAQNTAUJXMKAPK-PUXPGTEJSA-N 1 1 322.365 -1.554 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000962561671 664379350 /nfs/dbraw/zinc/37/93/50/664379350.db2.gz BYUZJOBMRQGANW-PFWNZEGQSA-N 1 1 317.349 -1.115 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000962592093 664379779 /nfs/dbraw/zinc/37/97/79/664379779.db2.gz FJMKBZHESJEQJO-FOGDFJRCSA-N 1 1 322.369 -1.789 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962621442 664380815 /nfs/dbraw/zinc/38/08/15/664380815.db2.gz YHIVFUHTJWXNQD-SRRSOLGSSA-N 1 1 310.354 -2.235 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962621442 664380817 /nfs/dbraw/zinc/38/08/17/664380817.db2.gz YHIVFUHTJWXNQD-SRRSOLGSSA-N 1 1 310.354 -2.235 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)nn1 ZINC000962681036 664382206 /nfs/dbraw/zinc/38/22/06/664382206.db2.gz BATWKGROLSLGQQ-USWWRNFRSA-N 1 1 322.369 -1.789 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962706063 664382484 /nfs/dbraw/zinc/38/24/84/664382484.db2.gz VUYXSTCGWCIYPS-IAZYJMLFSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962706063 664382485 /nfs/dbraw/zinc/38/24/85/664382485.db2.gz VUYXSTCGWCIYPS-IAZYJMLFSA-N 1 1 317.349 -1.414 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962701843 664382619 /nfs/dbraw/zinc/38/26/19/664382619.db2.gz OCEOAVKFWRNQEJ-CPOMMVLXSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962701843 664382621 /nfs/dbraw/zinc/38/26/21/664382621.db2.gz OCEOAVKFWRNQEJ-CPOMMVLXSA-N 1 1 317.349 -1.286 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000962720221 664383222 /nfs/dbraw/zinc/38/32/22/664383222.db2.gz GOWRQNCDUFRBOG-MXWKQRLJSA-N 1 1 322.369 -1.932 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000962723293 664383485 /nfs/dbraw/zinc/38/34/85/664383485.db2.gz UTICEKZRBATXDB-KZWBYHQPSA-N 1 1 318.381 -1.319 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000962723293 664383488 /nfs/dbraw/zinc/38/34/88/664383488.db2.gz UTICEKZRBATXDB-KZWBYHQPSA-N 1 1 318.381 -1.319 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962760995 664383929 /nfs/dbraw/zinc/38/39/29/664383929.db2.gz HYEAZCSSRSTWAT-LEQIOUOKSA-N 1 1 321.341 -2.703 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962760995 664383931 /nfs/dbraw/zinc/38/39/31/664383931.db2.gz HYEAZCSSRSTWAT-LEQIOUOKSA-N 1 1 321.341 -2.703 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962768987 664384042 /nfs/dbraw/zinc/38/40/42/664384042.db2.gz YFYOPRQUYQTXNB-QISWUMQESA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962768206 664384206 /nfs/dbraw/zinc/38/42/06/664384206.db2.gz XCBJRGSKBNXNNT-APOZVJGGSA-N 1 1 308.342 -2.196 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962799614 664384730 /nfs/dbraw/zinc/38/47/30/664384730.db2.gz AZAOUOQKFRDVGH-VWYCJHECSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962799614 664384732 /nfs/dbraw/zinc/38/47/32/664384732.db2.gz AZAOUOQKFRDVGH-VWYCJHECSA-N 1 1 323.353 -1.958 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC000962821637 664384892 /nfs/dbraw/zinc/38/48/92/664384892.db2.gz PDKCVVTUCRZJBH-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC000962821637 664384893 /nfs/dbraw/zinc/38/48/93/664384893.db2.gz PDKCVVTUCRZJBH-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962921264 664386837 /nfs/dbraw/zinc/38/68/37/664386837.db2.gz NMEWJDZDRWWFQH-JDICNCQASA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962921264 664386838 /nfs/dbraw/zinc/38/68/38/664386838.db2.gz NMEWJDZDRWWFQH-JDICNCQASA-N 1 1 303.322 -1.674 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000963015390 664387371 /nfs/dbraw/zinc/38/73/71/664387371.db2.gz GSBCGTIZQHZNJB-IMRBUKKESA-N 1 1 318.381 -1.045 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000963043008 664387800 /nfs/dbraw/zinc/38/78/00/664387800.db2.gz FZQKKGYFCHWXNR-KIKITERTSA-N 1 1 319.321 -1.157 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000963076392 664387937 /nfs/dbraw/zinc/38/79/37/664387937.db2.gz NPYGNQWHJQFIHS-MXWKQRLJSA-N 1 1 312.370 -1.968 20 0 DAADMO Cn1nnnc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358500 664389226 /nfs/dbraw/zinc/38/92/26/664389226.db2.gz SIWFFKBKZDSTSZ-MNOVXSKESA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358500 664389230 /nfs/dbraw/zinc/38/92/30/664389230.db2.gz SIWFFKBKZDSTSZ-MNOVXSKESA-N 1 1 321.385 -1.102 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]2O)C1 ZINC000963375302 664389389 /nfs/dbraw/zinc/38/93/89/664389389.db2.gz KPJDDJGJQWWZBD-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]2O)C1 ZINC000963417981 664389850 /nfs/dbraw/zinc/38/98/50/664389850.db2.gz DBODAPQMAPUPEW-UTUOFQBUSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2O)C1 ZINC000963398479 664389929 /nfs/dbraw/zinc/38/99/29/664389929.db2.gz YALFYXQVKHLKKV-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963383190 664390054 /nfs/dbraw/zinc/39/00/54/664390054.db2.gz PVGOVRYESIBVID-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]2O)C1 ZINC000963383764 664390251 /nfs/dbraw/zinc/39/02/51/664390251.db2.gz VFEYZCSWTXMQJV-XQQFMLRXSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000963391849 664390329 /nfs/dbraw/zinc/39/03/29/664390329.db2.gz BEJAVZJXAAFTQA-FOGDFJRCSA-N 1 1 308.338 -1.072 20 0 DAADMO Cc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963397259 664390334 /nfs/dbraw/zinc/39/03/34/664390334.db2.gz VNLAFMCVXIDBCT-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2O)C1 ZINC000963383497 664390339 /nfs/dbraw/zinc/39/03/39/664390339.db2.gz SVLWVMWPQYUXIS-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963420473 664390689 /nfs/dbraw/zinc/39/06/89/664390689.db2.gz MNYVOYDWPUMQMQ-JLLWLGSASA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963420474 664390702 /nfs/dbraw/zinc/39/07/02/664390702.db2.gz MNYVOYDWPUMQMQ-WCQGTBRESA-N 1 1 322.369 -1.932 20 0 DAADMO Cc1c[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963422583 664390728 /nfs/dbraw/zinc/39/07/28/664390728.db2.gz XPCQTSOGKFAHNV-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000963420886 664390829 /nfs/dbraw/zinc/39/08/29/664390829.db2.gz NSPYXAKDZGSMBJ-GDPRMGEGSA-N 1 1 309.326 -1.677 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC000963453035 664390894 /nfs/dbraw/zinc/39/08/94/664390894.db2.gz RPFUPEFVWZUZAW-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC000963453035 664390897 /nfs/dbraw/zinc/39/08/97/664390897.db2.gz RPFUPEFVWZUZAW-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963512815 664391987 /nfs/dbraw/zinc/39/19/87/664391987.db2.gz AAHQGGAZQNNAST-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963512815 664391991 /nfs/dbraw/zinc/39/19/91/664391991.db2.gz AAHQGGAZQNNAST-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O ZINC000963540658 664393374 /nfs/dbraw/zinc/39/33/74/664393374.db2.gz DVFGQMDGYHSLOX-UPJWGTAASA-N 1 1 322.365 -1.084 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120869 664401031 /nfs/dbraw/zinc/40/10/31/664401031.db2.gz NZLHCGRLDFZNGG-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120869 664401033 /nfs/dbraw/zinc/40/10/33/664401033.db2.gz NZLHCGRLDFZNGG-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964140568 664402021 /nfs/dbraw/zinc/40/20/21/664402021.db2.gz BOFCXNOACCEKPO-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964140568 664402023 /nfs/dbraw/zinc/40/20/23/664402023.db2.gz BOFCXNOACCEKPO-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)CC[N@H+]1C ZINC000964211555 664404476 /nfs/dbraw/zinc/40/44/76/664404476.db2.gz JTWGHDRQONXEQS-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC000964250978 664405474 /nfs/dbraw/zinc/40/54/74/664405474.db2.gz SPZIXQZZJNSFET-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnon2)C1 ZINC000964318093 664409562 /nfs/dbraw/zinc/40/95/62/664409562.db2.gz FBKYGZJBCRVKBP-GHMZBOCLSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799271 664413207 /nfs/dbraw/zinc/41/32/07/664413207.db2.gz ZDTFITMSKCHOCT-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799271 664413209 /nfs/dbraw/zinc/41/32/09/664413209.db2.gz ZDTFITMSKCHOCT-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964965467 664413562 /nfs/dbraw/zinc/41/35/62/664413562.db2.gz NXLQRSKUVPBJIC-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964965467 664413563 /nfs/dbraw/zinc/41/35/63/664413563.db2.gz NXLQRSKUVPBJIC-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)C1 ZINC000965008551 664414306 /nfs/dbraw/zinc/41/43/06/664414306.db2.gz VRJTXDHGLPBMKC-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)C1 ZINC000965008551 664414309 /nfs/dbraw/zinc/41/43/09/664414309.db2.gz VRJTXDHGLPBMKC-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042864 664415208 /nfs/dbraw/zinc/41/52/08/664415208.db2.gz VUVCHWPMBPQFGK-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042864 664415211 /nfs/dbraw/zinc/41/52/11/664415211.db2.gz VUVCHWPMBPQFGK-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042868 664415437 /nfs/dbraw/zinc/41/54/37/664415437.db2.gz VUVCHWPMBPQFGK-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042868 664415439 /nfs/dbraw/zinc/41/54/39/664415439.db2.gz VUVCHWPMBPQFGK-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965416920 664421640 /nfs/dbraw/zinc/42/16/40/664421640.db2.gz RMLLULHDGLZZPG-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965424459 664422090 /nfs/dbraw/zinc/42/20/90/664422090.db2.gz LQMSAMXGKCLDRK-UHFFFAOYSA-N 1 1 321.337 -1.883 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965465086 664423352 /nfs/dbraw/zinc/42/33/52/664423352.db2.gz PYDIRRDUTKYANT-UHFFFAOYSA-N 1 1 321.337 -1.883 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965474605 664424104 /nfs/dbraw/zinc/42/41/04/664424104.db2.gz UIAMCJUYGHSYNJ-MNOVXSKESA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965474771 664424137 /nfs/dbraw/zinc/42/41/37/664424137.db2.gz WQBKOZNDOFHRJU-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965471710 664424398 /nfs/dbraw/zinc/42/43/98/664424398.db2.gz NYYAYNPNOAMILW-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037805665 664424530 /nfs/dbraw/zinc/42/45/30/664424530.db2.gz DPWLAMSODZVTSV-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC000965519334 664425054 /nfs/dbraw/zinc/42/50/54/664425054.db2.gz DONKNLAXFJPWRS-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC000965544834 664425603 /nfs/dbraw/zinc/42/56/03/664425603.db2.gz UQLBZXFHQVQYRG-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965656971 664428204 /nfs/dbraw/zinc/42/82/04/664428204.db2.gz PKIUVBXTLSAAPT-VHSXEESVSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965656975 664428228 /nfs/dbraw/zinc/42/82/28/664428228.db2.gz PKIUVBXTLSAAPT-ZJUUUORDSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965658210 664428317 /nfs/dbraw/zinc/42/83/17/664428317.db2.gz RPDAQGOVLQSVAP-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965701872 664428981 /nfs/dbraw/zinc/42/89/81/664428981.db2.gz LNWVNEXPQPJTMO-ZJUUUORDSA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965698901 664429251 /nfs/dbraw/zinc/42/92/51/664429251.db2.gz BACLEHABWYPYDN-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965789681 664431970 /nfs/dbraw/zinc/43/19/70/664431970.db2.gz LFEYKVIWANOSBI-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965789576 664432093 /nfs/dbraw/zinc/43/20/93/664432093.db2.gz KQDXYYCDVVXKKR-NXEZZACHSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@@H+](CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2)C1CCC1 ZINC000965790789 664432633 /nfs/dbraw/zinc/43/26/33/664432633.db2.gz ORLXRAANPLSILK-SNVBAGLBSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965799311 664433880 /nfs/dbraw/zinc/43/38/80/664433880.db2.gz WALWUFVQOCJWGZ-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965801598 664434165 /nfs/dbraw/zinc/43/41/65/664434165.db2.gz BQGQDEAPNQULJD-SNVBAGLBSA-N 1 1 321.337 -1.837 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965802555 664434342 /nfs/dbraw/zinc/43/43/42/664434342.db2.gz FIQXFAGTCONXGQ-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965801594 664434459 /nfs/dbraw/zinc/43/44/59/664434459.db2.gz BQGQDEAPNQULJD-JTQLQIEISA-N 1 1 321.337 -1.837 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965819786 664435393 /nfs/dbraw/zinc/43/53/93/664435393.db2.gz USPGDYUSYVQVAW-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)C1 ZINC000965903599 664436281 /nfs/dbraw/zinc/43/62/81/664436281.db2.gz GUWJNQXDFQCSDR-GRYCIOLGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)C1 ZINC000965903599 664436284 /nfs/dbraw/zinc/43/62/84/664436284.db2.gz GUWJNQXDFQCSDR-GRYCIOLGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965901569 664436332 /nfs/dbraw/zinc/43/63/32/664436332.db2.gz VQGRHVCAHRUCIV-QWRGUYRKSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965901569 664436336 /nfs/dbraw/zinc/43/63/36/664436336.db2.gz VQGRHVCAHRUCIV-QWRGUYRKSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138626 664439156 /nfs/dbraw/zinc/43/91/56/664439156.db2.gz WXBVFYVMLGUJAD-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138626 664439161 /nfs/dbraw/zinc/43/91/61/664439161.db2.gz WXBVFYVMLGUJAD-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966170229 664440494 /nfs/dbraw/zinc/44/04/94/664440494.db2.gz WQHUVRKGQARHOQ-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000966524692 664445696 /nfs/dbraw/zinc/44/56/96/664445696.db2.gz LWCACQNHMIUBLT-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1NC(=O)C(N)=O ZINC000966551316 664446099 /nfs/dbraw/zinc/44/60/99/664446099.db2.gz HNTIPWVHAUTCBK-KWQFWETISA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966628665 664447629 /nfs/dbraw/zinc/44/76/29/664447629.db2.gz XPJSCMRHNGSQJG-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966890009 664453698 /nfs/dbraw/zinc/45/36/98/664453698.db2.gz XHUPAUXHIYSDPR-LLVKDONJSA-N 1 1 319.373 -1.016 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035585 664454048 /nfs/dbraw/zinc/45/40/48/664454048.db2.gz URVZZFLHTNVMEW-QWRGUYRKSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035585 664454052 /nfs/dbraw/zinc/45/40/52/664454052.db2.gz URVZZFLHTNVMEW-QWRGUYRKSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000967004456 664454081 /nfs/dbraw/zinc/45/40/81/664454081.db2.gz APSQKBAUVUHZCQ-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967029280 664454346 /nfs/dbraw/zinc/45/43/46/664454346.db2.gz GXHYWBXOCPPMQW-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO CC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000967150909 664455895 /nfs/dbraw/zinc/45/58/95/664455895.db2.gz OQFQHIPLPBELMC-AWEZNQCLSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000967150909 664455898 /nfs/dbraw/zinc/45/58/98/664455898.db2.gz OQFQHIPLPBELMC-AWEZNQCLSA-N 1 1 310.398 -1.308 20 0 DAADMO COCC(=O)N1CCN(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000967168989 664456718 /nfs/dbraw/zinc/45/67/18/664456718.db2.gz NWLOYXUXGFRHBO-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 ZINC000967194341 664457121 /nfs/dbraw/zinc/45/71/21/664457121.db2.gz HKVXUBJBJVFUAB-GFCCVEGCSA-N 1 1 323.397 -2.079 20 0 DAADMO COCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000967212192 664457939 /nfs/dbraw/zinc/45/79/39/664457939.db2.gz NPMPHQFTGHOYHM-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000967250559 664459624 /nfs/dbraw/zinc/45/96/24/664459624.db2.gz ZDQBIWFCVCYGOV-LBPRGKRZSA-N 1 1 323.397 -2.079 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000967424298 664461012 /nfs/dbraw/zinc/46/10/12/664461012.db2.gz CXFINQDYYBGQSP-SECBINFHSA-N 1 1 301.372 -1.450 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000967425137 664462274 /nfs/dbraw/zinc/46/22/74/664462274.db2.gz ZFBJJOMXKZKURV-SECBINFHSA-N 1 1 301.372 -1.450 20 0 DAADMO COCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967721885 664465300 /nfs/dbraw/zinc/46/53/00/664465300.db2.gz LTMHPVLMHMHMBR-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000967894599 664466796 /nfs/dbraw/zinc/46/67/96/664466796.db2.gz JBWBGWOOWIUDTJ-WDEREUQCSA-N 1 1 319.373 -1.058 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000967832086 664467065 /nfs/dbraw/zinc/46/70/65/664467065.db2.gz YEKPUJONDCQTPX-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000967832082 664467159 /nfs/dbraw/zinc/46/71/59/664467159.db2.gz YEKPUJONDCQTPX-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000967971385 664468865 /nfs/dbraw/zinc/46/88/65/664468865.db2.gz FKVPHPCSORHKRB-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000968221850 664472072 /nfs/dbraw/zinc/47/20/72/664472072.db2.gz ATEFCENZXIXQLN-GHMZBOCLSA-N 1 1 305.338 -1.052 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000968299487 664474078 /nfs/dbraw/zinc/47/40/78/664474078.db2.gz DYRMRDSSSVNSCA-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C1=COCCO1 ZINC001038027240 664474097 /nfs/dbraw/zinc/47/40/97/664474097.db2.gz KTENIWLTZPXDSB-JTQLQIEISA-N 1 1 324.337 -1.383 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C1=COCCO1 ZINC001038027240 664474103 /nfs/dbraw/zinc/47/41/03/664474103.db2.gz KTENIWLTZPXDSB-JTQLQIEISA-N 1 1 324.337 -1.383 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000968308568 664474546 /nfs/dbraw/zinc/47/45/46/664474546.db2.gz RSKWXDQOLBCGBN-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000968308571 664474586 /nfs/dbraw/zinc/47/45/86/664474586.db2.gz RSKWXDQOLBCGBN-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC000968305044 664474853 /nfs/dbraw/zinc/47/48/53/664474853.db2.gz ZWGSPZZTCNDUKZ-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968352050 664475661 /nfs/dbraw/zinc/47/56/61/664475661.db2.gz UPKNCURYAKFLQY-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431648 664476676 /nfs/dbraw/zinc/47/66/76/664476676.db2.gz NRQILDCHBSKHOY-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000968373668 664476863 /nfs/dbraw/zinc/47/68/63/664476863.db2.gz ILCIEDZMALNHLB-CMPLNLGQSA-N 1 1 324.381 -1.484 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC000968410446 664476905 /nfs/dbraw/zinc/47/69/05/664476905.db2.gz CWFJFWXOFYAAKH-WISYIIOYSA-N 1 1 315.370 -1.960 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC000968410446 664476908 /nfs/dbraw/zinc/47/69/08/664476908.db2.gz CWFJFWXOFYAAKH-WISYIIOYSA-N 1 1 315.370 -1.960 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)O1 ZINC000968406930 664476922 /nfs/dbraw/zinc/47/69/22/664476922.db2.gz HNEGQVVIXTYFQF-DOLQZWNJSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)O1 ZINC000968406930 664476925 /nfs/dbraw/zinc/47/69/25/664476925.db2.gz HNEGQVVIXTYFQF-DOLQZWNJSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000968373672 664476959 /nfs/dbraw/zinc/47/69/59/664476959.db2.gz ILCIEDZMALNHLB-PWSUYJOCSA-N 1 1 324.381 -1.484 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000968453842 664477427 /nfs/dbraw/zinc/47/74/27/664477427.db2.gz SVSHGICMIGTMQZ-MRVPVSSYSA-N 1 1 307.318 -2.102 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC000968452546 664477713 /nfs/dbraw/zinc/47/77/13/664477713.db2.gz IGRFAECOUZXAFA-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)C1)c1nnnn1C ZINC000968446298 664478004 /nfs/dbraw/zinc/47/80/04/664478004.db2.gz PATNNHSHPTYBDB-NWDGAFQWSA-N 1 1 323.401 -1.206 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000968453625 664478090 /nfs/dbraw/zinc/47/80/90/664478090.db2.gz NSXFCABPCGCXGP-SECBINFHSA-N 1 1 306.330 -1.497 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461703 664478329 /nfs/dbraw/zinc/47/83/29/664478329.db2.gz JNONIJJXZZROIM-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968479104 664479007 /nfs/dbraw/zinc/47/90/07/664479007.db2.gz IAXWNNMMHFGXJS-MXWKQRLJSA-N 1 1 323.353 -1.369 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000968486652 664479127 /nfs/dbraw/zinc/47/91/27/664479127.db2.gz QVKAHJYJYZUPFS-VWYCJHECSA-N 1 1 323.353 -1.226 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000968518190 664479770 /nfs/dbraw/zinc/47/97/70/664479770.db2.gz ZEZVBNZLABOXMU-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000968522866 664479933 /nfs/dbraw/zinc/47/99/33/664479933.db2.gz MXCQTNWUKIDBDJ-SNVBAGLBSA-N 1 1 304.358 -1.123 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968556077 664480206 /nfs/dbraw/zinc/48/02/06/664480206.db2.gz MDOAQSLBSPSNRV-SCZZXKLOSA-N 1 1 321.341 -1.193 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CCO)CC[C@H]2C)c(=O)n1C ZINC000968601885 664480799 /nfs/dbraw/zinc/48/07/99/664480799.db2.gz LMHXEXVWUJAATQ-ZYHUDNBSSA-N 1 1 311.386 -1.291 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC000968583646 664481127 /nfs/dbraw/zinc/48/11/27/664481127.db2.gz PRDFXWAJFFNKDQ-RKDXNWHRSA-N 1 1 305.346 -1.096 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631307 664481276 /nfs/dbraw/zinc/48/12/76/664481276.db2.gz GHMXJJYWFJNLRB-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631307 664481279 /nfs/dbraw/zinc/48/12/79/664481279.db2.gz GHMXJJYWFJNLRB-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC000968648257 664481413 /nfs/dbraw/zinc/48/14/13/664481413.db2.gz PURRHAIJCGRNBR-MNOVXSKESA-N 1 1 310.358 -1.294 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000968643358 664481461 /nfs/dbraw/zinc/48/14/61/664481461.db2.gz LDLHCBCCFFPXOV-GXSJLCMTSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000968643360 664481500 /nfs/dbraw/zinc/48/15/00/664481500.db2.gz LDLHCBCCFFPXOV-MWLCHTKSSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000968643359 664481638 /nfs/dbraw/zinc/48/16/38/664481638.db2.gz LDLHCBCCFFPXOV-KOLCDFICSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000968627015 664481710 /nfs/dbraw/zinc/48/17/10/664481710.db2.gz GBEZJDIQPWLXSK-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000968681216 664481879 /nfs/dbraw/zinc/48/18/79/664481879.db2.gz HWHPLBDFZPMDKA-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968672816 664482046 /nfs/dbraw/zinc/48/20/46/664482046.db2.gz NTFRWXSZHMYHAB-SNVBAGLBSA-N 1 1 320.361 -1.369 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000968681218 664482066 /nfs/dbraw/zinc/48/20/66/664482066.db2.gz HWHPLBDFZPMDKA-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684320 664482395 /nfs/dbraw/zinc/48/23/95/664482395.db2.gz ABFIGNKXBIVOHB-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684320 664482396 /nfs/dbraw/zinc/48/23/96/664482396.db2.gz ABFIGNKXBIVOHB-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC000968683587 664482510 /nfs/dbraw/zinc/48/25/10/664482510.db2.gz RUJRJPPBDNBJIJ-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684321 664482798 /nfs/dbraw/zinc/48/27/98/664482798.db2.gz ABFIGNKXBIVOHB-MNOVXSKESA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684321 664482801 /nfs/dbraw/zinc/48/28/01/664482801.db2.gz ABFIGNKXBIVOHB-MNOVXSKESA-N 1 1 323.397 -1.090 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000968700437 664484470 /nfs/dbraw/zinc/48/44/70/664484470.db2.gz DKNZPORKHCCOPR-WOPDTQHZSA-N 1 1 324.385 -1.308 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)CC[N@H+]1C ZINC000968704635 664485236 /nfs/dbraw/zinc/48/52/36/664485236.db2.gz VIESYNUJCAESFF-IQIPOGNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000968704635 664485240 /nfs/dbraw/zinc/48/52/40/664485240.db2.gz VIESYNUJCAESFF-IQIPOGNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC000968704635 664485248 /nfs/dbraw/zinc/48/52/48/664485248.db2.gz VIESYNUJCAESFF-IQIPOGNMSA-N 1 1 322.369 -1.554 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968737168 664486019 /nfs/dbraw/zinc/48/60/19/664486019.db2.gz PIIYOZHWEFUZFY-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)[nH]1 ZINC000968786061 664486369 /nfs/dbraw/zinc/48/63/69/664486369.db2.gz YBESTKGNBWWXGM-SNVBAGLBSA-N 1 1 313.383 -1.152 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000968845386 664487069 /nfs/dbraw/zinc/48/70/69/664487069.db2.gz OARQMTHOXBHEMU-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC000968845855 664487078 /nfs/dbraw/zinc/48/70/78/664487078.db2.gz VBXJOLWUJLFWKY-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000968881752 664487413 /nfs/dbraw/zinc/48/74/13/664487413.db2.gz XASLGYZGZPORLR-WOPDTQHZSA-N 1 1 322.369 -1.789 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC000968947388 664488422 /nfs/dbraw/zinc/48/84/22/664488422.db2.gz XVYSOPKLJBMYIV-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000968947388 664488426 /nfs/dbraw/zinc/48/84/26/664488426.db2.gz XVYSOPKLJBMYIV-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952987 664488567 /nfs/dbraw/zinc/48/85/67/664488567.db2.gz XXYKBHAMQOJWAI-BDAKNGLRSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952796 664488584 /nfs/dbraw/zinc/48/85/84/664488584.db2.gz ULTUQLOPBLRQBH-ZJUUUORDSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000969010368 664489175 /nfs/dbraw/zinc/48/91/75/664489175.db2.gz JSRLGEUVGFBSFB-SECBINFHSA-N 1 1 304.314 -1.290 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC000969102841 664490148 /nfs/dbraw/zinc/49/01/48/664490148.db2.gz OTDAVDQIXNGFBM-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC000969102823 664490357 /nfs/dbraw/zinc/49/03/57/664490357.db2.gz ODAVXKJYKALPND-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC000969102840 664490399 /nfs/dbraw/zinc/49/03/99/664490399.db2.gz OTDAVDQIXNGFBM-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001006682594 664491648 /nfs/dbraw/zinc/49/16/48/664491648.db2.gz HKWWCCZLWBAGLR-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001006682594 664491651 /nfs/dbraw/zinc/49/16/51/664491651.db2.gz HKWWCCZLWBAGLR-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001006681079 664491959 /nfs/dbraw/zinc/49/19/59/664491959.db2.gz CNZMYIARKSJERV-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001006681079 664491962 /nfs/dbraw/zinc/49/19/62/664491962.db2.gz CNZMYIARKSJERV-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO Cn1nnnc1CN1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004585 664493482 /nfs/dbraw/zinc/49/34/82/664493482.db2.gz VLTYKBIQSHXXOC-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004585 664493483 /nfs/dbraw/zinc/49/34/83/664493483.db2.gz VLTYKBIQSHXXOC-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167763 664493691 /nfs/dbraw/zinc/49/36/91/664493691.db2.gz OGDGWJPAMNQPQQ-NXEZZACHSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167763 664493692 /nfs/dbraw/zinc/49/36/92/664493692.db2.gz OGDGWJPAMNQPQQ-NXEZZACHSA-N 1 1 310.358 -1.172 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165365 664493818 /nfs/dbraw/zinc/49/38/18/664493818.db2.gz GPWHZMPMBBVKOQ-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165365 664493822 /nfs/dbraw/zinc/49/38/22/664493822.db2.gz GPWHZMPMBBVKOQ-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001007343757 664494510 /nfs/dbraw/zinc/49/45/10/664494510.db2.gz NOYZANPXAUXJNC-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001007343760 664494646 /nfs/dbraw/zinc/49/46/46/664494646.db2.gz NOYZANPXAUXJNC-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007343111 664494658 /nfs/dbraw/zinc/49/46/58/664494658.db2.gz LWUBNFSFHWQVES-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007343111 664494661 /nfs/dbraw/zinc/49/46/61/664494661.db2.gz LWUBNFSFHWQVES-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349135 664494665 /nfs/dbraw/zinc/49/46/65/664494665.db2.gz LGZQBMINRXNPAV-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349135 664494666 /nfs/dbraw/zinc/49/46/66/664494666.db2.gz LGZQBMINRXNPAV-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007349189 664494739 /nfs/dbraw/zinc/49/47/39/664494739.db2.gz LYLOEDQDVLHOFM-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007349189 664494740 /nfs/dbraw/zinc/49/47/40/664494740.db2.gz LYLOEDQDVLHOFM-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372450 664494979 /nfs/dbraw/zinc/49/49/79/664494979.db2.gz MKJXGCYRKSFFMO-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007427469 664495245 /nfs/dbraw/zinc/49/52/45/664495245.db2.gz IPNDGZZPROSAPV-MNOVXSKESA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007427469 664495246 /nfs/dbraw/zinc/49/52/46/664495246.db2.gz IPNDGZZPROSAPV-MNOVXSKESA-N 1 1 320.353 -1.336 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001007522954 664495550 /nfs/dbraw/zinc/49/55/50/664495550.db2.gz WARFXQAXDUZVTQ-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001007522954 664495551 /nfs/dbraw/zinc/49/55/51/664495551.db2.gz WARFXQAXDUZVTQ-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001007621986 664496170 /nfs/dbraw/zinc/49/61/70/664496170.db2.gz XIWLNAQEQVZIHZ-IAQYHMDHSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC001007654121 664496420 /nfs/dbraw/zinc/49/64/20/664496420.db2.gz AKYHPHCQAGQYHU-IAQYHMDHSA-N 1 1 324.381 -1.747 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702324 664496748 /nfs/dbraw/zinc/49/67/48/664496748.db2.gz DFELNGFVWUVKFP-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702324 664496753 /nfs/dbraw/zinc/49/67/53/664496753.db2.gz DFELNGFVWUVKFP-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001007704253 664496881 /nfs/dbraw/zinc/49/68/81/664496881.db2.gz JTYMEFXKSVEOKI-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001007704253 664496884 /nfs/dbraw/zinc/49/68/84/664496884.db2.gz JTYMEFXKSVEOKI-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007697056 664496896 /nfs/dbraw/zinc/49/68/96/664496896.db2.gz VXDSMGCHXJVTQA-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703241 664496915 /nfs/dbraw/zinc/49/69/15/664496915.db2.gz HEQLHIFQJRXXDP-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703241 664496917 /nfs/dbraw/zinc/49/69/17/664496917.db2.gz HEQLHIFQJRXXDP-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706138 664497525 /nfs/dbraw/zinc/49/75/25/664497525.db2.gz OTNXHKBGSAZKCI-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706138 664497527 /nfs/dbraw/zinc/49/75/27/664497527.db2.gz OTNXHKBGSAZKCI-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001007831160 664497705 /nfs/dbraw/zinc/49/77/05/664497705.db2.gz GSQKXPWULUJZRI-LLVKDONJSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776918 664498068 /nfs/dbraw/zinc/49/80/68/664498068.db2.gz RBPRXBMSCREXLZ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776918 664498071 /nfs/dbraw/zinc/49/80/71/664498071.db2.gz RBPRXBMSCREXLZ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776929 664498192 /nfs/dbraw/zinc/49/81/92/664498192.db2.gz RBPRXBMSCREXLZ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776929 664498194 /nfs/dbraw/zinc/49/81/94/664498194.db2.gz RBPRXBMSCREXLZ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001007948256 664498348 /nfs/dbraw/zinc/49/83/48/664498348.db2.gz BEHHUKGZOKBTPM-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001007983014 664498443 /nfs/dbraw/zinc/49/84/43/664498443.db2.gz LEGISFICPXPJJL-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001007983014 664498446 /nfs/dbraw/zinc/49/84/46/664498446.db2.gz LEGISFICPXPJJL-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001007983010 664498537 /nfs/dbraw/zinc/49/85/37/664498537.db2.gz LEGISFICPXPJJL-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001007983010 664498540 /nfs/dbraw/zinc/49/85/40/664498540.db2.gz LEGISFICPXPJJL-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007834421 664498625 /nfs/dbraw/zinc/49/86/25/664498625.db2.gz VFEFYEIAZBNPNQ-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186416 664499651 /nfs/dbraw/zinc/49/96/51/664499651.db2.gz YYJNTTVNXHQGGY-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186416 664499652 /nfs/dbraw/zinc/49/96/52/664499652.db2.gz YYJNTTVNXHQGGY-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC1=O ZINC001008178493 664499730 /nfs/dbraw/zinc/49/97/30/664499730.db2.gz PRFJVBFOMATGPH-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186415 664499835 /nfs/dbraw/zinc/49/98/35/664499835.db2.gz YYJNTTVNXHQGGY-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186415 664499836 /nfs/dbraw/zinc/49/98/36/664499836.db2.gz YYJNTTVNXHQGGY-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008194067 664500200 /nfs/dbraw/zinc/50/02/00/664500200.db2.gz NFATXLYYCWHYFS-PGUXBMHVSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008194067 664500201 /nfs/dbraw/zinc/50/02/01/664500201.db2.gz NFATXLYYCWHYFS-PGUXBMHVSA-N 1 1 324.381 -1.700 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001008372915 664501532 /nfs/dbraw/zinc/50/15/32/664501532.db2.gz KTSSZFOQBGICQH-GHMZBOCLSA-N 1 1 324.385 -1.726 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378524 664501551 /nfs/dbraw/zinc/50/15/51/664501551.db2.gz YIENWHCXQALXJF-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378524 664501552 /nfs/dbraw/zinc/50/15/52/664501552.db2.gz YIENWHCXQALXJF-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001008372917 664501797 /nfs/dbraw/zinc/50/17/97/664501797.db2.gz KTSSZFOQBGICQH-MNOVXSKESA-N 1 1 324.385 -1.726 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378521 664501920 /nfs/dbraw/zinc/50/19/20/664501920.db2.gz YIENWHCXQALXJF-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378521 664501922 /nfs/dbraw/zinc/50/19/22/664501922.db2.gz YIENWHCXQALXJF-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008547997 664503602 /nfs/dbraw/zinc/50/36/02/664503602.db2.gz QYZKDYCGGVYXSJ-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008547997 664503603 /nfs/dbraw/zinc/50/36/03/664503603.db2.gz QYZKDYCGGVYXSJ-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001008736389 664504036 /nfs/dbraw/zinc/50/40/36/664504036.db2.gz JAMPCVMZJVGBFX-NSHDSACASA-N 1 1 320.353 -1.536 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)S1(=O)=O ZINC001008840583 664504475 /nfs/dbraw/zinc/50/44/75/664504475.db2.gz NWUSHRQBGSYRAZ-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001008840583 664504477 /nfs/dbraw/zinc/50/44/77/664504477.db2.gz NWUSHRQBGSYRAZ-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901562 664504669 /nfs/dbraw/zinc/50/46/69/664504669.db2.gz RTKNYXGXGISREM-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901562 664504672 /nfs/dbraw/zinc/50/46/72/664504672.db2.gz RTKNYXGXGISREM-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863150 664504794 /nfs/dbraw/zinc/50/47/94/664504794.db2.gz PSEDRENKZCXQKY-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863150 664504795 /nfs/dbraw/zinc/50/47/95/664504795.db2.gz PSEDRENKZCXQKY-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001009118437 664505408 /nfs/dbraw/zinc/50/54/08/664505408.db2.gz ASOJRZMWMWVOHL-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001009118437 664505411 /nfs/dbraw/zinc/50/54/11/664505411.db2.gz ASOJRZMWMWVOHL-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009188165 664505888 /nfs/dbraw/zinc/50/58/88/664505888.db2.gz MLYHGZFHNVCACX-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206921 664506081 /nfs/dbraw/zinc/50/60/81/664506081.db2.gz ZYBGRXZUVCJFCC-VHSXEESVSA-N 1 1 320.353 -1.007 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001009415010 664507709 /nfs/dbraw/zinc/50/77/09/664507709.db2.gz NXZMFYCANSZXDI-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001009415010 664507711 /nfs/dbraw/zinc/50/77/11/664507711.db2.gz NXZMFYCANSZXDI-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009455588 664508115 /nfs/dbraw/zinc/50/81/15/664508115.db2.gz BCFRISIVTISAIA-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009455588 664508118 /nfs/dbraw/zinc/50/81/18/664508118.db2.gz BCFRISIVTISAIA-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1=O ZINC001009447611 664508146 /nfs/dbraw/zinc/50/81/46/664508146.db2.gz IOGIZGRBEZCRJT-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009456090 664508435 /nfs/dbraw/zinc/50/84/35/664508435.db2.gz CSINLJDKQSJMGK-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009456090 664508437 /nfs/dbraw/zinc/50/84/37/664508437.db2.gz CSINLJDKQSJMGK-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457637 664508456 /nfs/dbraw/zinc/50/84/56/664508456.db2.gz JKGRSEKVGPPOTO-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457637 664508458 /nfs/dbraw/zinc/50/84/58/664508458.db2.gz JKGRSEKVGPPOTO-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458713 664508539 /nfs/dbraw/zinc/50/85/39/664508539.db2.gz LXZNMSLYOYSCAT-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458713 664508541 /nfs/dbraw/zinc/50/85/41/664508541.db2.gz LXZNMSLYOYSCAT-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456720 664508554 /nfs/dbraw/zinc/50/85/54/664508554.db2.gz GCGSYXDQRBXHOW-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456720 664508557 /nfs/dbraw/zinc/50/85/57/664508557.db2.gz GCGSYXDQRBXHOW-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009633125 664509349 /nfs/dbraw/zinc/50/93/49/664509349.db2.gz GNRWNHSPVSGRFL-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009633121 664509463 /nfs/dbraw/zinc/50/94/63/664509463.db2.gz GNRWNHSPVSGRFL-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020728 664511976 /nfs/dbraw/zinc/51/19/76/664511976.db2.gz KLBRUUOVPKNXDC-UWVGGRQHSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020728 664511978 /nfs/dbraw/zinc/51/19/78/664511978.db2.gz KLBRUUOVPKNXDC-UWVGGRQHSA-N 1 1 309.322 -1.130 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090906 664512448 /nfs/dbraw/zinc/51/24/48/664512448.db2.gz YHZVZXFPFFQLJD-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090906 664512451 /nfs/dbraw/zinc/51/24/51/664512451.db2.gz YHZVZXFPFFQLJD-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001010105542 664512575 /nfs/dbraw/zinc/51/25/75/664512575.db2.gz JXRQCVFESINASO-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108221 664512580 /nfs/dbraw/zinc/51/25/80/664512580.db2.gz QXUKJLOYQCWEPJ-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108221 664512581 /nfs/dbraw/zinc/51/25/81/664512581.db2.gz QXUKJLOYQCWEPJ-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010091484 664512605 /nfs/dbraw/zinc/51/26/05/664512605.db2.gz BLCNQFIOWHPSOT-SNVBAGLBSA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010109180 664512686 /nfs/dbraw/zinc/51/26/86/664512686.db2.gz RNFPPFUDTYKKFE-BDAKNGLRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010109180 664512689 /nfs/dbraw/zinc/51/26/89/664512689.db2.gz RNFPPFUDTYKKFE-BDAKNGLRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1COCCO1 ZINC001010281525 664514104 /nfs/dbraw/zinc/51/41/04/664514104.db2.gz VNBUWAUTFCBABJ-RYUDHWBXSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010350007 664514657 /nfs/dbraw/zinc/51/46/57/664514657.db2.gz SGBBNGIBCOVUHH-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010350007 664514662 /nfs/dbraw/zinc/51/46/62/664514662.db2.gz SGBBNGIBCOVUHH-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1nnnc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425069 664515552 /nfs/dbraw/zinc/51/55/52/664515552.db2.gz AHTOHKSDCDYABH-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425069 664515555 /nfs/dbraw/zinc/51/55/55/664515555.db2.gz AHTOHKSDCDYABH-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010414731 664515595 /nfs/dbraw/zinc/51/55/95/664515595.db2.gz HBZQAIISILYOMC-NSHDSACASA-N 1 1 320.353 -1.306 20 0 DAADMO Cn1nnc(CN2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425299 664515698 /nfs/dbraw/zinc/51/56/98/664515698.db2.gz CNXHHLZMCCBCOY-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425299 664515700 /nfs/dbraw/zinc/51/57/00/664515700.db2.gz CNXHHLZMCCBCOY-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010416034 664515739 /nfs/dbraw/zinc/51/57/39/664515739.db2.gz MSOKWVHZDKRPSH-MNOVXSKESA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010416034 664515741 /nfs/dbraw/zinc/51/57/41/664515741.db2.gz MSOKWVHZDKRPSH-MNOVXSKESA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC(=O)C1 ZINC001010537741 664516134 /nfs/dbraw/zinc/51/61/34/664516134.db2.gz LBNDYUDFFOPCEI-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010598073 664516722 /nfs/dbraw/zinc/51/67/22/664516722.db2.gz ZMTLEMANBQGKNF-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010598073 664516724 /nfs/dbraw/zinc/51/67/24/664516724.db2.gz ZMTLEMANBQGKNF-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010661293 664517141 /nfs/dbraw/zinc/51/71/41/664517141.db2.gz DITVNXWJKUGISV-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010661293 664517142 /nfs/dbraw/zinc/51/71/42/664517142.db2.gz DITVNXWJKUGISV-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001010670397 664517663 /nfs/dbraw/zinc/51/76/63/664517663.db2.gz QDLVITYJCWHKAI-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001010670397 664517666 /nfs/dbraw/zinc/51/76/66/664517666.db2.gz QDLVITYJCWHKAI-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695922 664518249 /nfs/dbraw/zinc/51/82/49/664518249.db2.gz FHQCXEVGGTZRFF-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695922 664518252 /nfs/dbraw/zinc/51/82/52/664518252.db2.gz FHQCXEVGGTZRFF-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695917 664518298 /nfs/dbraw/zinc/51/82/98/664518298.db2.gz FHQCXEVGGTZRFF-VHSXEESVSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695917 664518299 /nfs/dbraw/zinc/51/82/99/664518299.db2.gz FHQCXEVGGTZRFF-VHSXEESVSA-N 1 1 310.358 -1.349 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010697389 664518306 /nfs/dbraw/zinc/51/83/06/664518306.db2.gz KDDRCQAZGKXIMR-JTQLQIEISA-N 1 1 306.330 -1.534 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010696580 664518351 /nfs/dbraw/zinc/51/83/51/664518351.db2.gz HLYYMBZIYRRVQM-DTWKUNHWSA-N 1 1 322.325 -2.021 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010696580 664518354 /nfs/dbraw/zinc/51/83/54/664518354.db2.gz HLYYMBZIYRRVQM-DTWKUNHWSA-N 1 1 322.325 -2.021 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711606 664518615 /nfs/dbraw/zinc/51/86/15/664518615.db2.gz FMJLEURWMOVTEN-PSASIEDQSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711606 664518617 /nfs/dbraw/zinc/51/86/17/664518617.db2.gz FMJLEURWMOVTEN-PSASIEDQSA-N 1 1 320.353 -1.388 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001010754306 664518762 /nfs/dbraw/zinc/51/87/62/664518762.db2.gz PVTNQMFDEHKWKG-CYBMUJFWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001010754306 664518765 /nfs/dbraw/zinc/51/87/65/664518765.db2.gz PVTNQMFDEHKWKG-CYBMUJFWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784652 664519239 /nfs/dbraw/zinc/51/92/39/664519239.db2.gz PXNUUWYWLDGZTB-VXGBXAGGSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784652 664519242 /nfs/dbraw/zinc/51/92/42/664519242.db2.gz PXNUUWYWLDGZTB-VXGBXAGGSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1oc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771855 664519320 /nfs/dbraw/zinc/51/93/20/664519320.db2.gz DKFXHAUPVOEGSI-IUCAKERBSA-N 1 1 322.321 -1.412 20 0 DAADMO Cn1oc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771855 664519322 /nfs/dbraw/zinc/51/93/22/664519322.db2.gz DKFXHAUPVOEGSI-IUCAKERBSA-N 1 1 322.321 -1.412 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001010762559 664519388 /nfs/dbraw/zinc/51/93/88/664519388.db2.gz ZEOMKTZZKUNSTP-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001010762559 664519390 /nfs/dbraw/zinc/51/93/90/664519390.db2.gz ZEOMKTZZKUNSTP-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010793029 664519593 /nfs/dbraw/zinc/51/95/93/664519593.db2.gz FLCIHHWNYMUFSA-ZYHUDNBSSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010793029 664519595 /nfs/dbraw/zinc/51/95/95/664519595.db2.gz FLCIHHWNYMUFSA-ZYHUDNBSSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813960 664520298 /nfs/dbraw/zinc/52/02/98/664520298.db2.gz DXDGYKQXLUJTLW-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813960 664520301 /nfs/dbraw/zinc/52/03/01/664520301.db2.gz DXDGYKQXLUJTLW-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001010833735 664521236 /nfs/dbraw/zinc/52/12/36/664521236.db2.gz AGOPNQUHVSWXID-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001010830086 664521367 /nfs/dbraw/zinc/52/13/67/664521367.db2.gz OHOCNCRSLOAUNP-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010830086 664521369 /nfs/dbraw/zinc/52/13/69/664521369.db2.gz OHOCNCRSLOAUNP-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001010870832 664521585 /nfs/dbraw/zinc/52/15/85/664521585.db2.gz GIXPWOBVXDTYML-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1nncc1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001010879500 664521728 /nfs/dbraw/zinc/52/17/28/664521728.db2.gz ZDYNDISFPFNFPP-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1nncc1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001010879500 664521729 /nfs/dbraw/zinc/52/17/29/664521729.db2.gz ZDYNDISFPFNFPP-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001010870831 664521742 /nfs/dbraw/zinc/52/17/42/664521742.db2.gz GIXPWOBVXDTYML-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001010874253 664521788 /nfs/dbraw/zinc/52/17/88/664521788.db2.gz BUQCGSDIWWIIIO-NSHDSACASA-N 1 1 322.369 -1.272 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001010874253 664521793 /nfs/dbraw/zinc/52/17/93/664521793.db2.gz BUQCGSDIWWIIIO-NSHDSACASA-N 1 1 322.369 -1.272 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010874597 664521897 /nfs/dbraw/zinc/52/18/97/664521897.db2.gz FSCQSBKLZXCBEQ-NSHDSACASA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010874597 664521900 /nfs/dbraw/zinc/52/19/00/664521900.db2.gz FSCQSBKLZXCBEQ-NSHDSACASA-N 1 1 322.369 -1.570 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876895 664522283 /nfs/dbraw/zinc/52/22/83/664522283.db2.gz MRYJJMZYOBECSQ-UWVGGRQHSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876895 664522287 /nfs/dbraw/zinc/52/22/87/664522287.db2.gz MRYJJMZYOBECSQ-UWVGGRQHSA-N 1 1 321.337 -1.084 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001011077483 664524965 /nfs/dbraw/zinc/52/49/65/664524965.db2.gz YFONUAHCEXGWSR-WDEREUQCSA-N 1 1 310.354 -1.283 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001011077480 664525029 /nfs/dbraw/zinc/52/50/29/664525029.db2.gz YFONUAHCEXGWSR-GHMZBOCLSA-N 1 1 310.354 -1.283 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001011077481 664525197 /nfs/dbraw/zinc/52/51/97/664525197.db2.gz YFONUAHCEXGWSR-MNOVXSKESA-N 1 1 310.354 -1.283 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001011158640 664526378 /nfs/dbraw/zinc/52/63/78/664526378.db2.gz BMYCJDYXAZLWGR-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001011164742 664526820 /nfs/dbraw/zinc/52/68/20/664526820.db2.gz XQTUXRGCKRIPTP-LLVKDONJSA-N 1 1 320.353 -1.456 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)C1CCC1 ZINC001011282231 664528693 /nfs/dbraw/zinc/52/86/93/664528693.db2.gz YDIMZJMYZUMCHL-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C2 ZINC001011304742 664529172 /nfs/dbraw/zinc/52/91/72/664529172.db2.gz HYFSWSRZNNJENI-JTQLQIEISA-N 1 1 319.365 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001011575443 664531284 /nfs/dbraw/zinc/53/12/84/664531284.db2.gz PNABMOBZQBCXAW-LLVKDONJSA-N 1 1 320.353 -1.456 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001011794481 664533976 /nfs/dbraw/zinc/53/39/76/664533976.db2.gz RAVHZZCFYFYZRL-LOIXOFCESA-N 1 1 322.365 -1.994 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001011794482 664534078 /nfs/dbraw/zinc/53/40/78/664534078.db2.gz RAVHZZCFYFYZRL-VTWZXRTESA-N 1 1 322.365 -1.994 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001012290794 664541046 /nfs/dbraw/zinc/54/10/46/664541046.db2.gz PBDATZCKZFRHFE-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001015825082 664568285 /nfs/dbraw/zinc/56/82/85/664568285.db2.gz CVOLCGPTUZIAHI-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C(N)=O ZINC001013974667 664550955 /nfs/dbraw/zinc/55/09/55/664550955.db2.gz IOAGNHLCSIRPSM-BDAKNGLRSA-N 1 1 323.353 -1.059 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001013981849 664551087 /nfs/dbraw/zinc/55/10/87/664551087.db2.gz AVYTZTPOOAEKAU-RUIJOYPPSA-N 1 1 324.381 -1.654 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001013981849 664551089 /nfs/dbraw/zinc/55/10/89/664551089.db2.gz AVYTZTPOOAEKAU-RUIJOYPPSA-N 1 1 324.381 -1.654 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001014000469 664551407 /nfs/dbraw/zinc/55/14/07/664551407.db2.gz CLLVPDQPUIGSAD-RURBXUPXSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncc[nH]1 ZINC001014368963 664553193 /nfs/dbraw/zinc/55/31/93/664553193.db2.gz BOSMCLHWWIUVBC-SECBINFHSA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncc[nH]1 ZINC001014368963 664553196 /nfs/dbraw/zinc/55/31/96/664553196.db2.gz BOSMCLHWWIUVBC-SECBINFHSA-N 1 1 306.326 -1.234 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395121 664553643 /nfs/dbraw/zinc/55/36/43/664553643.db2.gz HYYSPFIHSPOQPD-PWSUYJOCSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395121 664553644 /nfs/dbraw/zinc/55/36/44/664553644.db2.gz HYYSPFIHSPOQPD-PWSUYJOCSA-N 1 1 324.385 -1.008 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431819 664554655 /nfs/dbraw/zinc/55/46/55/664554655.db2.gz VRZNVOSOEXWVGQ-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431819 664554657 /nfs/dbraw/zinc/55/46/57/664554657.db2.gz VRZNVOSOEXWVGQ-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447672 664554993 /nfs/dbraw/zinc/55/49/93/664554993.db2.gz QGOIGSLCYWTVBW-VXGBXAGGSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447672 664554994 /nfs/dbraw/zinc/55/49/94/664554994.db2.gz QGOIGSLCYWTVBW-VXGBXAGGSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014446797 664555092 /nfs/dbraw/zinc/55/50/92/664555092.db2.gz JMWHONQLESBNKX-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001014503942 664555285 /nfs/dbraw/zinc/55/52/85/664555285.db2.gz SYAHAYCWLMTYEE-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@]12C[C@H]1COC2 ZINC001014489095 664555312 /nfs/dbraw/zinc/55/53/12/664555312.db2.gz ASAPMCXEUAMJBY-PGUXBMHVSA-N 1 1 322.365 -1.235 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506195 664555419 /nfs/dbraw/zinc/55/54/19/664555419.db2.gz FYHMUOJXFBGTDR-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506195 664555421 /nfs/dbraw/zinc/55/54/21/664555421.db2.gz FYHMUOJXFBGTDR-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@]12C[C@H]1COC2 ZINC001014489100 664555432 /nfs/dbraw/zinc/55/54/32/664555432.db2.gz ASAPMCXEUAMJBY-RWSFTLGLSA-N 1 1 322.365 -1.235 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506191 664555602 /nfs/dbraw/zinc/55/56/02/664555602.db2.gz FYHMUOJXFBGTDR-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506191 664555604 /nfs/dbraw/zinc/55/56/04/664555604.db2.gz FYHMUOJXFBGTDR-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014570074 664555731 /nfs/dbraw/zinc/55/57/31/664555731.db2.gz DBFMVTVSMMPUFZ-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014572241 664555812 /nfs/dbraw/zinc/55/58/12/664555812.db2.gz KPTFHGZWDDDPBY-NSHDSACASA-N 1 1 307.358 -1.506 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014572234 664555886 /nfs/dbraw/zinc/55/58/86/664555886.db2.gz KPTFHGZWDDDPBY-LLVKDONJSA-N 1 1 307.358 -1.506 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579781 664555943 /nfs/dbraw/zinc/55/59/43/664555943.db2.gz NBZPMICQVAZRRX-KOLCDFICSA-N 1 1 315.337 -1.183 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579781 664555945 /nfs/dbraw/zinc/55/59/45/664555945.db2.gz NBZPMICQVAZRRX-KOLCDFICSA-N 1 1 315.337 -1.183 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623201 664556133 /nfs/dbraw/zinc/55/61/33/664556133.db2.gz BDDRIUOIPGXOLZ-NXEZZACHSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623201 664556135 /nfs/dbraw/zinc/55/61/35/664556135.db2.gz BDDRIUOIPGXOLZ-NXEZZACHSA-N 1 1 323.353 -2.389 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1=O ZINC001014616863 664556157 /nfs/dbraw/zinc/55/61/57/664556157.db2.gz MSXKTYWJWJXNGN-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623216 664556290 /nfs/dbraw/zinc/55/62/90/664556290.db2.gz BDDRIUOIPGXOLZ-ZJUUUORDSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623216 664556292 /nfs/dbraw/zinc/55/62/92/664556292.db2.gz BDDRIUOIPGXOLZ-ZJUUUORDSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628060 664556301 /nfs/dbraw/zinc/55/63/01/664556301.db2.gz PIINTFMOLZUNFN-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628060 664556302 /nfs/dbraw/zinc/55/63/02/664556302.db2.gz PIINTFMOLZUNFN-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001014623158 664556307 /nfs/dbraw/zinc/55/63/07/664556307.db2.gz AIDUZQZUHCYQRD-LLVKDONJSA-N 1 1 310.354 -1.880 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014630081 664556598 /nfs/dbraw/zinc/55/65/98/664556598.db2.gz MLNFMYHQJKPSOL-WDEREUQCSA-N 1 1 310.354 -1.882 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014706640 664556631 /nfs/dbraw/zinc/55/66/31/664556631.db2.gz QLAFEUKTHHWVER-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014630071 664556645 /nfs/dbraw/zinc/55/66/45/664556645.db2.gz MLNFMYHQJKPSOL-GHMZBOCLSA-N 1 1 310.354 -1.882 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014703851 664556684 /nfs/dbraw/zinc/55/66/84/664556684.db2.gz DWPIOQFNUWTEAU-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014631126 664556868 /nfs/dbraw/zinc/55/68/68/664556868.db2.gz OHQXGOOQQSDXRX-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739472 664557037 /nfs/dbraw/zinc/55/70/37/664557037.db2.gz FFIUUJAABJEABX-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739472 664557039 /nfs/dbraw/zinc/55/70/39/664557039.db2.gz FFIUUJAABJEABX-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739471 664557146 /nfs/dbraw/zinc/55/71/46/664557146.db2.gz FFIUUJAABJEABX-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739471 664557149 /nfs/dbraw/zinc/55/71/49/664557149.db2.gz FFIUUJAABJEABX-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014743062 664557188 /nfs/dbraw/zinc/55/71/88/664557188.db2.gz YZFCMKALZLHELH-GFCCVEGCSA-N 1 1 322.369 -1.673 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001014740364 664557239 /nfs/dbraw/zinc/55/72/39/664557239.db2.gz KYJKCYRFXWJQJH-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001014740364 664557240 /nfs/dbraw/zinc/55/72/40/664557240.db2.gz KYJKCYRFXWJQJH-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)cn1 ZINC001014738272 664557246 /nfs/dbraw/zinc/55/72/46/664557246.db2.gz VVAKNKBLMPLXPZ-ZDUSSCGKSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3=O)C2)cn1 ZINC001014738272 664557247 /nfs/dbraw/zinc/55/72/47/664557247.db2.gz VVAKNKBLMPLXPZ-ZDUSSCGKSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771468 664557516 /nfs/dbraw/zinc/55/75/16/664557516.db2.gz ZCMGKZJIFUMVDF-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771468 664557520 /nfs/dbraw/zinc/55/75/20/664557520.db2.gz ZCMGKZJIFUMVDF-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001014784019 664557584 /nfs/dbraw/zinc/55/75/84/664557584.db2.gz HRIHQBPGVVYRDZ-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001014784019 664557585 /nfs/dbraw/zinc/55/75/85/664557585.db2.gz HRIHQBPGVVYRDZ-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014774740 664557607 /nfs/dbraw/zinc/55/76/07/664557607.db2.gz HSCVVYLDKARFNQ-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014770096 664557731 /nfs/dbraw/zinc/55/77/31/664557731.db2.gz OBNAJEZPUBNWQM-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014770096 664557733 /nfs/dbraw/zinc/55/77/33/664557733.db2.gz OBNAJEZPUBNWQM-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014780198 664557747 /nfs/dbraw/zinc/55/77/47/664557747.db2.gz QWVNRZKFHCUXMV-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014780198 664557749 /nfs/dbraw/zinc/55/77/49/664557749.db2.gz QWVNRZKFHCUXMV-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771467 664557799 /nfs/dbraw/zinc/55/77/99/664557799.db2.gz ZCMGKZJIFUMVDF-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771467 664557801 /nfs/dbraw/zinc/55/78/01/664557801.db2.gz ZCMGKZJIFUMVDF-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)O1 ZINC001014925188 664558548 /nfs/dbraw/zinc/55/85/48/664558548.db2.gz OZWCTXIRFVJKEW-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)O1 ZINC001014925188 664558549 /nfs/dbraw/zinc/55/85/49/664558549.db2.gz OZWCTXIRFVJKEW-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014993513 664558828 /nfs/dbraw/zinc/55/88/28/664558828.db2.gz ACBIGGCHNNSBSM-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015000677 664558853 /nfs/dbraw/zinc/55/88/53/664558853.db2.gz QOBCJRDFRQDLKS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999459 664558885 /nfs/dbraw/zinc/55/88/85/664558885.db2.gz JITRFJUAHSMTDP-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999459 664558886 /nfs/dbraw/zinc/55/88/86/664558886.db2.gz JITRFJUAHSMTDP-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1=O ZINC001015004513 664558903 /nfs/dbraw/zinc/55/89/03/664558903.db2.gz QOJLANAFAPQSCF-QWRGUYRKSA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1=O ZINC001015004513 664558905 /nfs/dbraw/zinc/55/89/05/664558905.db2.gz QOJLANAFAPQSCF-QWRGUYRKSA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004878 664558955 /nfs/dbraw/zinc/55/89/55/664558955.db2.gz SDKRLLDPZDMJCO-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004878 664558959 /nfs/dbraw/zinc/55/89/59/664558959.db2.gz SDKRLLDPZDMJCO-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003827 664558977 /nfs/dbraw/zinc/55/89/77/664558977.db2.gz LWUPEXTUXAEDAU-VHSXEESVSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003827 664558980 /nfs/dbraw/zinc/55/89/80/664558980.db2.gz LWUPEXTUXAEDAU-VHSXEESVSA-N 1 1 310.358 -2.093 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)c1=O ZINC001015004512 664559046 /nfs/dbraw/zinc/55/90/46/664559046.db2.gz QOJLANAFAPQSCF-MNOVXSKESA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)c1=O ZINC001015004512 664559047 /nfs/dbraw/zinc/55/90/47/664559047.db2.gz QOJLANAFAPQSCF-MNOVXSKESA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004877 664559055 /nfs/dbraw/zinc/55/90/55/664559055.db2.gz SDKRLLDPZDMJCO-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004877 664559056 /nfs/dbraw/zinc/55/90/56/664559056.db2.gz SDKRLLDPZDMJCO-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015027771 664559451 /nfs/dbraw/zinc/55/94/51/664559451.db2.gz ZSLARZHKTLBMGN-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015027771 664559452 /nfs/dbraw/zinc/55/94/52/664559452.db2.gz ZSLARZHKTLBMGN-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001015006302 664559495 /nfs/dbraw/zinc/55/94/95/664559495.db2.gz BGCXNUDEVYJAFN-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001015006302 664559497 /nfs/dbraw/zinc/55/94/97/664559497.db2.gz BGCXNUDEVYJAFN-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015079996 664559750 /nfs/dbraw/zinc/55/97/50/664559750.db2.gz FFQHYWLHUVGNQF-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015079996 664559753 /nfs/dbraw/zinc/55/97/53/664559753.db2.gz FFQHYWLHUVGNQF-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001015042137 664559954 /nfs/dbraw/zinc/55/99/54/664559954.db2.gz IGFQSVOPRXBRQI-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015079998 664559971 /nfs/dbraw/zinc/55/99/71/664559971.db2.gz FFQHYWLHUVGNQF-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015079998 664559973 /nfs/dbraw/zinc/55/99/73/664559973.db2.gz FFQHYWLHUVGNQF-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046073 664560034 /nfs/dbraw/zinc/56/00/34/664560034.db2.gz YKXZYCHRBAVUMG-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046073 664560036 /nfs/dbraw/zinc/56/00/36/664560036.db2.gz YKXZYCHRBAVUMG-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082005 664560411 /nfs/dbraw/zinc/56/04/11/664560411.db2.gz SXDJFQCSSWNAGX-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082005 664560413 /nfs/dbraw/zinc/56/04/13/664560413.db2.gz SXDJFQCSSWNAGX-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093378 664560417 /nfs/dbraw/zinc/56/04/17/664560417.db2.gz YXDNFNQMMDSEPD-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093378 664560419 /nfs/dbraw/zinc/56/04/19/664560419.db2.gz YXDNFNQMMDSEPD-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139978 664561059 /nfs/dbraw/zinc/56/10/59/664561059.db2.gz NUZHFOOOISMBKC-NXEZZACHSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139978 664561060 /nfs/dbraw/zinc/56/10/60/664561060.db2.gz NUZHFOOOISMBKC-NXEZZACHSA-N 1 1 323.353 -1.726 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015289276 664561820 /nfs/dbraw/zinc/56/18/20/664561820.db2.gz ILJDXWVABOBUAC-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ncc1=O ZINC001015330711 664562513 /nfs/dbraw/zinc/56/25/13/664562513.db2.gz UPRUVUFAMUXLQE-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ncc1=O ZINC001015330711 664562514 /nfs/dbraw/zinc/56/25/14/664562514.db2.gz UPRUVUFAMUXLQE-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)ncc1=O ZINC001015330715 664562699 /nfs/dbraw/zinc/56/26/99/664562699.db2.gz UPRUVUFAMUXLQE-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)ncc1=O ZINC001015330715 664562700 /nfs/dbraw/zinc/56/27/00/664562700.db2.gz UPRUVUFAMUXLQE-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001015480894 664562989 /nfs/dbraw/zinc/56/29/89/664562989.db2.gz YJPNPVXXPFEHGP-JTQLQIEISA-N 1 1 307.358 -1.058 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015480894 664562991 /nfs/dbraw/zinc/56/29/91/664562991.db2.gz YJPNPVXXPFEHGP-JTQLQIEISA-N 1 1 307.358 -1.058 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001015480895 664563151 /nfs/dbraw/zinc/56/31/51/664563151.db2.gz YJPNPVXXPFEHGP-SNVBAGLBSA-N 1 1 307.358 -1.058 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015480895 664563153 /nfs/dbraw/zinc/56/31/53/664563153.db2.gz YJPNPVXXPFEHGP-SNVBAGLBSA-N 1 1 307.358 -1.058 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508118 664563463 /nfs/dbraw/zinc/56/34/63/664563463.db2.gz GWYXMECJRPIVOG-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508118 664563465 /nfs/dbraw/zinc/56/34/65/664563465.db2.gz GWYXMECJRPIVOG-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001015501437 664563580 /nfs/dbraw/zinc/56/35/80/664563580.db2.gz AOCRDJKXNCYDTC-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001015501437 664563581 /nfs/dbraw/zinc/56/35/81/664563581.db2.gz AOCRDJKXNCYDTC-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508166 664563631 /nfs/dbraw/zinc/56/36/31/664563631.db2.gz HKVMAWYORVXNLC-GHMZBOCLSA-N 1 1 311.386 -2.257 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508166 664563632 /nfs/dbraw/zinc/56/36/32/664563632.db2.gz HKVMAWYORVXNLC-GHMZBOCLSA-N 1 1 311.386 -2.257 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502051 664563666 /nfs/dbraw/zinc/56/36/66/664563666.db2.gz DEAKHWSGMAVMOD-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502051 664563667 /nfs/dbraw/zinc/56/36/67/664563667.db2.gz DEAKHWSGMAVMOD-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015509644 664564020 /nfs/dbraw/zinc/56/40/20/664564020.db2.gz OZXFLZZQJIFINV-NWDGAFQWSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015509644 664564022 /nfs/dbraw/zinc/56/40/22/664564022.db2.gz OZXFLZZQJIFINV-NWDGAFQWSA-N 1 1 323.397 -2.113 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513830 664564083 /nfs/dbraw/zinc/56/40/83/664564083.db2.gz KZXCZKPVBCTRPA-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513830 664564084 /nfs/dbraw/zinc/56/40/84/664564084.db2.gz KZXCZKPVBCTRPA-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510111 664564098 /nfs/dbraw/zinc/56/40/98/664564098.db2.gz RESZWIFSFGVBSS-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510111 664564099 /nfs/dbraw/zinc/56/40/99/664564099.db2.gz RESZWIFSFGVBSS-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513831 664564345 /nfs/dbraw/zinc/56/43/45/664564345.db2.gz KZXCZKPVBCTRPA-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513831 664564347 /nfs/dbraw/zinc/56/43/47/664564347.db2.gz KZXCZKPVBCTRPA-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC001015517729 664564360 /nfs/dbraw/zinc/56/43/60/664564360.db2.gz FKCVQGPXQZVEEA-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)NC1=O ZINC001015520219 664564493 /nfs/dbraw/zinc/56/44/93/664564493.db2.gz RAFLLPMTOXZJOJ-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO Cn1c(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515780 664564594 /nfs/dbraw/zinc/56/45/94/664564594.db2.gz YEDBIAFEPDEUTA-RKDXNWHRSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1c(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515780 664564595 /nfs/dbraw/zinc/56/45/95/664564595.db2.gz YEDBIAFEPDEUTA-RKDXNWHRSA-N 1 1 321.337 -1.265 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015551765 664564926 /nfs/dbraw/zinc/56/49/26/664564926.db2.gz WADJAXHVJKQBRE-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001015556522 664565093 /nfs/dbraw/zinc/56/50/93/664565093.db2.gz IKRNPTRYXQADKG-MNOVXSKESA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015555202 664565131 /nfs/dbraw/zinc/56/51/31/664565131.db2.gz UPBSMPYAWAATGV-QMMMGPOBSA-N 1 1 322.329 -2.434 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015555202 664565133 /nfs/dbraw/zinc/56/51/33/664565133.db2.gz UPBSMPYAWAATGV-QMMMGPOBSA-N 1 1 322.329 -2.434 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1=O ZINC001015565601 664565581 /nfs/dbraw/zinc/56/55/81/664565581.db2.gz DFRDKHQPMROPLL-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622665 664565584 /nfs/dbraw/zinc/56/55/84/664565584.db2.gz JBIHPTNPPPKGEP-PSASIEDQSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622665 664565585 /nfs/dbraw/zinc/56/55/85/664565585.db2.gz JBIHPTNPPPKGEP-PSASIEDQSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622667 664565723 /nfs/dbraw/zinc/56/57/23/664565723.db2.gz JBIHPTNPPPKGEP-SCZZXKLOSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622667 664565726 /nfs/dbraw/zinc/56/57/26/664565726.db2.gz JBIHPTNPPPKGEP-SCZZXKLOSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622020 664565775 /nfs/dbraw/zinc/56/57/75/664565775.db2.gz BABOIPAQSOTIMI-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622020 664565777 /nfs/dbraw/zinc/56/57/77/664565777.db2.gz BABOIPAQSOTIMI-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015681918 664566817 /nfs/dbraw/zinc/56/68/17/664566817.db2.gz OFMIWBRFOGVGGM-YUMQZZPRSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCC(=O)N1 ZINC001015668489 664567071 /nfs/dbraw/zinc/56/70/71/664567071.db2.gz JHWUREALVCHPDN-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CCNC1=O ZINC001015699826 664567174 /nfs/dbraw/zinc/56/71/74/664567174.db2.gz RQZSDDWHXYZHQG-SMDDNHRTSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015715329 664567323 /nfs/dbraw/zinc/56/73/23/664567323.db2.gz VPFSYNBDHOZTJQ-MXWKQRLJSA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015714908 664567345 /nfs/dbraw/zinc/56/73/45/664567345.db2.gz MKHXNFUXVUGPMY-AEJSXWLSSA-N 1 1 323.353 -2.150 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015706070 664567362 /nfs/dbraw/zinc/56/73/62/664567362.db2.gz AZFJVYVEDQZVDZ-SDDRHHMPSA-N 1 1 310.398 -1.011 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015706070 664567365 /nfs/dbraw/zinc/56/73/65/664567365.db2.gz AZFJVYVEDQZVDZ-SDDRHHMPSA-N 1 1 310.398 -1.011 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015712103 664567533 /nfs/dbraw/zinc/56/75/33/664567533.db2.gz XNIVNVVCOCIAPV-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015712103 664567534 /nfs/dbraw/zinc/56/75/34/664567534.db2.gz XNIVNVVCOCIAPV-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789374 664567631 /nfs/dbraw/zinc/56/76/31/664567631.db2.gz QJJAQNHGLBVJIQ-ZJUUUORDSA-N 1 1 310.354 -1.731 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789612 664567691 /nfs/dbraw/zinc/56/76/91/664567691.db2.gz SBDGRTIKOUKSKW-SECBINFHSA-N 1 1 323.353 -2.366 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789612 664567693 /nfs/dbraw/zinc/56/76/93/664567693.db2.gz SBDGRTIKOUKSKW-SECBINFHSA-N 1 1 323.353 -2.366 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015789724 664567782 /nfs/dbraw/zinc/56/77/82/664567782.db2.gz VFVJUOMQALQXKA-LLVKDONJSA-N 1 1 320.353 -1.536 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015770450 664567918 /nfs/dbraw/zinc/56/79/18/664567918.db2.gz PWHJWTQRGKINHR-MNOVXSKESA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)N1CCC1 ZINC001015772788 664567931 /nfs/dbraw/zinc/56/79/31/664567931.db2.gz FOUUFYABBRRGFZ-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)N1CCC1 ZINC001015772788 664567932 /nfs/dbraw/zinc/56/79/32/664567932.db2.gz FOUUFYABBRRGFZ-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789368 664567940 /nfs/dbraw/zinc/56/79/40/664567940.db2.gz QJJAQNHGLBVJIQ-UWVGGRQHSA-N 1 1 310.354 -1.731 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790449 664567968 /nfs/dbraw/zinc/56/79/68/664567968.db2.gz KOIZYERRGITKCU-IUCAKERBSA-N 1 1 312.326 -2.022 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015834783 664568205 /nfs/dbraw/zinc/56/82/05/664568205.db2.gz LONNYXQTSWICAM-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015831523 664568350 /nfs/dbraw/zinc/56/83/50/664568350.db2.gz BORNIUJRIDOJFS-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015831523 664568353 /nfs/dbraw/zinc/56/83/53/664568353.db2.gz BORNIUJRIDOJFS-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001015831855 664568365 /nfs/dbraw/zinc/56/83/65/664568365.db2.gz FXCXSIXETMLRAR-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001015831856 664568508 /nfs/dbraw/zinc/56/85/08/664568508.db2.gz FXCXSIXETMLRAR-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837714 664568716 /nfs/dbraw/zinc/56/87/16/664568716.db2.gz ZCUDYKHJNZXRGZ-PSASIEDQSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837714 664568718 /nfs/dbraw/zinc/56/87/18/664568718.db2.gz ZCUDYKHJNZXRGZ-PSASIEDQSA-N 1 1 310.354 -1.636 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001015864696 664568856 /nfs/dbraw/zinc/56/88/56/664568856.db2.gz GLOLGUKPOBEXTG-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001015838877 664568870 /nfs/dbraw/zinc/56/88/70/664568870.db2.gz WRNFTDMMJMWEIT-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001015838877 664568872 /nfs/dbraw/zinc/56/88/72/664568872.db2.gz WRNFTDMMJMWEIT-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001015838878 664568969 /nfs/dbraw/zinc/56/89/69/664568969.db2.gz WRNFTDMMJMWEIT-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1)N1CCC1 ZINC001015838878 664568970 /nfs/dbraw/zinc/56/89/70/664568970.db2.gz WRNFTDMMJMWEIT-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)ccc1=O ZINC001015867509 664569136 /nfs/dbraw/zinc/56/91/36/664569136.db2.gz DHGIGZVAZSHGKY-VHSXEESVSA-N 1 1 307.354 -1.059 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)ccc1=O ZINC001015867509 664569139 /nfs/dbraw/zinc/56/91/39/664569139.db2.gz DHGIGZVAZSHGKY-VHSXEESVSA-N 1 1 307.354 -1.059 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1cnon1 ZINC001015877556 664569146 /nfs/dbraw/zinc/56/91/46/664569146.db2.gz WPBKWULOZISLJG-MNOVXSKESA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1cnon1 ZINC001015877556 664569148 /nfs/dbraw/zinc/56/91/48/664569148.db2.gz WPBKWULOZISLJG-MNOVXSKESA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015865882 664569257 /nfs/dbraw/zinc/56/92/57/664569257.db2.gz IQOPSGRBYUJVAF-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015865882 664569258 /nfs/dbraw/zinc/56/92/58/664569258.db2.gz IQOPSGRBYUJVAF-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015895908 664569328 /nfs/dbraw/zinc/56/93/28/664569328.db2.gz QPCSCYKPXARBRN-IUCAKERBSA-N 1 1 323.353 -1.197 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015895908 664569329 /nfs/dbraw/zinc/56/93/29/664569329.db2.gz QPCSCYKPXARBRN-IUCAKERBSA-N 1 1 323.353 -1.197 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015865881 664569405 /nfs/dbraw/zinc/56/94/05/664569405.db2.gz IQOPSGRBYUJVAF-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015865881 664569407 /nfs/dbraw/zinc/56/94/07/664569407.db2.gz IQOPSGRBYUJVAF-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001015868869 664569452 /nfs/dbraw/zinc/56/94/52/664569452.db2.gz FGLRHHVPZRAMMM-JQWIXIFHSA-N 1 1 319.365 -1.044 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001015868869 664569455 /nfs/dbraw/zinc/56/94/55/664569455.db2.gz FGLRHHVPZRAMMM-JQWIXIFHSA-N 1 1 319.365 -1.044 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015968468 664569891 /nfs/dbraw/zinc/56/98/91/664569891.db2.gz YVMWIDHYOHQPMG-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001015968468 664569893 /nfs/dbraw/zinc/56/98/93/664569893.db2.gz YVMWIDHYOHQPMG-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015968468 664569894 /nfs/dbraw/zinc/56/98/94/664569894.db2.gz YVMWIDHYOHQPMG-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015948017 664570032 /nfs/dbraw/zinc/57/00/32/664570032.db2.gz SEFFEUKPTUUXBJ-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910041 664570138 /nfs/dbraw/zinc/57/01/38/664570138.db2.gz KQBPMEJSTPZXAK-NEPJUHHUSA-N 1 1 321.381 -1.076 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910041 664570139 /nfs/dbraw/zinc/57/01/39/664570139.db2.gz KQBPMEJSTPZXAK-NEPJUHHUSA-N 1 1 321.381 -1.076 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015991227 664570367 /nfs/dbraw/zinc/57/03/67/664570367.db2.gz CCFSFJGPHMAWQX-IUCAKERBSA-N 1 1 306.326 -1.398 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001015987621 664570423 /nfs/dbraw/zinc/57/04/23/664570423.db2.gz MIDDFZLJOOYTKA-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001015987621 664570424 /nfs/dbraw/zinc/57/04/24/664570424.db2.gz MIDDFZLJOOYTKA-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001016058016 664570517 /nfs/dbraw/zinc/57/05/17/664570517.db2.gz OIAJOLWLCQRDIP-VXGBXAGGSA-N 1 1 319.365 -1.369 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001016058016 664570519 /nfs/dbraw/zinc/57/05/19/664570519.db2.gz OIAJOLWLCQRDIP-VXGBXAGGSA-N 1 1 319.365 -1.369 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015991226 664570614 /nfs/dbraw/zinc/57/06/14/664570614.db2.gz CCFSFJGPHMAWQX-DTWKUNHWSA-N 1 1 306.326 -1.398 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140828 664570998 /nfs/dbraw/zinc/57/09/98/664570998.db2.gz KRNAJXNPSHFFHS-GXSJLCMTSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140828 664571000 /nfs/dbraw/zinc/57/10/00/664571000.db2.gz KRNAJXNPSHFFHS-GXSJLCMTSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140562 664571067 /nfs/dbraw/zinc/57/10/67/664571067.db2.gz JEKDZKFXACCMPX-SCZZXKLOSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140562 664571068 /nfs/dbraw/zinc/57/10/68/664571068.db2.gz JEKDZKFXACCMPX-SCZZXKLOSA-N 1 1 310.358 -2.045 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141216 664571150 /nfs/dbraw/zinc/57/11/50/664571150.db2.gz OECWJKMLCOSREA-MNOVXSKESA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141216 664571151 /nfs/dbraw/zinc/57/11/51/664571151.db2.gz OECWJKMLCOSREA-MNOVXSKESA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016173515 664571375 /nfs/dbraw/zinc/57/13/75/664571375.db2.gz HJEIMXJUAWBCGM-VHSXEESVSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016192248 664571395 /nfs/dbraw/zinc/57/13/95/664571395.db2.gz HHSZHSSDSMJZHF-NXEZZACHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016192248 664571397 /nfs/dbraw/zinc/57/13/97/664571397.db2.gz HHSZHSSDSMJZHF-NXEZZACHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001016192231 664571492 /nfs/dbraw/zinc/57/14/92/664571492.db2.gz GXXUKAXUGVJZDQ-NSHDSACASA-N 1 1 307.358 -1.506 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001016189125 664571545 /nfs/dbraw/zinc/57/15/45/664571545.db2.gz XABSKYJVAQBXHH-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016198852 664571573 /nfs/dbraw/zinc/57/15/73/664571573.db2.gz BBRAMEQIMCJSDF-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)ccc1=O ZINC001016180175 664571602 /nfs/dbraw/zinc/57/16/02/664571602.db2.gz FZYMWQSDYRBNHS-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ccc1=O ZINC001016180175 664571604 /nfs/dbraw/zinc/57/16/04/664571604.db2.gz FZYMWQSDYRBNHS-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)ccc1=O ZINC001016191878 664571647 /nfs/dbraw/zinc/57/16/47/664571647.db2.gz XLNNCTLKBALFTP-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208120 664571845 /nfs/dbraw/zinc/57/18/45/664571845.db2.gz KADXDVHGRQAGTC-MNOVXSKESA-N 1 1 322.365 -1.443 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208120 664571846 /nfs/dbraw/zinc/57/18/46/664571846.db2.gz KADXDVHGRQAGTC-MNOVXSKESA-N 1 1 322.365 -1.443 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200090 664571855 /nfs/dbraw/zinc/57/18/55/664571855.db2.gz RFSSZRMARAQYHC-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200090 664571857 /nfs/dbraw/zinc/57/18/57/664571857.db2.gz RFSSZRMARAQYHC-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016200696 664571878 /nfs/dbraw/zinc/57/18/78/664571878.db2.gz YLQVCPLBXMSDEJ-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200846 664571896 /nfs/dbraw/zinc/57/18/96/664571896.db2.gz YMQBAYGTVFDRIN-RKDXNWHRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200846 664571897 /nfs/dbraw/zinc/57/18/97/664571897.db2.gz YMQBAYGTVFDRIN-RKDXNWHRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200703 664572030 /nfs/dbraw/zinc/57/20/30/664572030.db2.gz YMQBAYGTVFDRIN-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200703 664572031 /nfs/dbraw/zinc/57/20/31/664572031.db2.gz YMQBAYGTVFDRIN-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016208270 664572105 /nfs/dbraw/zinc/57/21/05/664572105.db2.gz LCOXWFZCRHXDFA-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202324 664572119 /nfs/dbraw/zinc/57/21/19/664572119.db2.gz MDSRAVXEETZZDG-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202324 664572120 /nfs/dbraw/zinc/57/21/20/664572120.db2.gz MDSRAVXEETZZDG-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016204037 664572126 /nfs/dbraw/zinc/57/21/26/664572126.db2.gz XWQJHCYKHQZIIG-IUCAKERBSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016204037 664572128 /nfs/dbraw/zinc/57/21/28/664572128.db2.gz XWQJHCYKHQZIIG-IUCAKERBSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016208269 664572132 /nfs/dbraw/zinc/57/21/32/664572132.db2.gz LCOXWFZCRHXDFA-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016202648 664572157 /nfs/dbraw/zinc/57/21/57/664572157.db2.gz OPQXESFBYIPUSA-JTQLQIEISA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016202648 664572158 /nfs/dbraw/zinc/57/21/58/664572158.db2.gz OPQXESFBYIPUSA-JTQLQIEISA-N 1 1 323.353 -1.993 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016215292 664572277 /nfs/dbraw/zinc/57/22/77/664572277.db2.gz FHVURNHQLHCOHN-NEPJUHHUSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016215292 664572278 /nfs/dbraw/zinc/57/22/78/664572278.db2.gz FHVURNHQLHCOHN-NEPJUHHUSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016226047 664572565 /nfs/dbraw/zinc/57/25/65/664572565.db2.gz MTXCOMNAPHPIAM-HTAVTVPLSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)C2)C1 ZINC001016256608 664572682 /nfs/dbraw/zinc/57/26/82/664572682.db2.gz RZFBCUKCPCSYPK-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241136 664572780 /nfs/dbraw/zinc/57/27/80/664572780.db2.gz XTCYKEXLAOVAJA-WCBMZHEXSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241136 664572781 /nfs/dbraw/zinc/57/27/81/664572781.db2.gz XTCYKEXLAOVAJA-WCBMZHEXSA-N 1 1 321.337 -1.822 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239489 664572784 /nfs/dbraw/zinc/57/27/84/664572784.db2.gz JQNZNSWHDBMABV-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239489 664572785 /nfs/dbraw/zinc/57/27/85/664572785.db2.gz JQNZNSWHDBMABV-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239129 664572810 /nfs/dbraw/zinc/57/28/10/664572810.db2.gz IBSKZKNWTBMWMC-IUCAKERBSA-N 1 1 323.353 -1.576 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239129 664572811 /nfs/dbraw/zinc/57/28/11/664572811.db2.gz IBSKZKNWTBMWMC-IUCAKERBSA-N 1 1 323.353 -1.576 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016238303 664572910 /nfs/dbraw/zinc/57/29/10/664572910.db2.gz CAYSCLUVKNMQRY-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016238303 664572911 /nfs/dbraw/zinc/57/29/11/664572911.db2.gz CAYSCLUVKNMQRY-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308309 664573424 /nfs/dbraw/zinc/57/34/24/664573424.db2.gz ZEVAVYPXFAFBRV-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308309 664573425 /nfs/dbraw/zinc/57/34/25/664573425.db2.gz ZEVAVYPXFAFBRV-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308315 664573534 /nfs/dbraw/zinc/57/35/34/664573534.db2.gz ZEVAVYPXFAFBRV-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308315 664573535 /nfs/dbraw/zinc/57/35/35/664573535.db2.gz ZEVAVYPXFAFBRV-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001016342047 664573762 /nfs/dbraw/zinc/57/37/62/664573762.db2.gz ZDEROUMDGGLDTG-MNOVXSKESA-N 1 1 322.369 -1.396 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)Cn2ncnn2)C1 ZINC001016330131 664574062 /nfs/dbraw/zinc/57/40/62/664574062.db2.gz LYAYINMDZJFGLP-HTAVTVPLSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001016337851 664574077 /nfs/dbraw/zinc/57/40/77/664574077.db2.gz ATCDYRBRVHTDIY-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341909 664574096 /nfs/dbraw/zinc/57/40/96/664574096.db2.gz VQVDZMZEBHZTDJ-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341121 664574112 /nfs/dbraw/zinc/57/41/12/664574112.db2.gz ILLKOAGRNATSTD-WCBMZHEXSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341121 664574113 /nfs/dbraw/zinc/57/41/13/664574113.db2.gz ILLKOAGRNATSTD-WCBMZHEXSA-N 1 1 323.357 -2.169 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nn1 ZINC001016342045 664574126 /nfs/dbraw/zinc/57/41/26/664574126.db2.gz ZDEROUMDGGLDTG-GHMZBOCLSA-N 1 1 322.369 -1.396 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016430068 664574296 /nfs/dbraw/zinc/57/42/96/664574296.db2.gz KUKIABFDTXBJND-KOLCDFICSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016430068 664574297 /nfs/dbraw/zinc/57/42/97/664574297.db2.gz KUKIABFDTXBJND-KOLCDFICSA-N 1 1 322.365 -1.492 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354853 664574624 /nfs/dbraw/zinc/57/46/24/664574624.db2.gz QVNPVSDIZKRUDJ-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354853 664574626 /nfs/dbraw/zinc/57/46/26/664574626.db2.gz QVNPVSDIZKRUDJ-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016546288 664575823 /nfs/dbraw/zinc/57/58/23/664575823.db2.gz RIUNSTQXVNGNER-UNXYVOJBSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001016718792 664577122 /nfs/dbraw/zinc/57/71/22/664577122.db2.gz KKRKDIDIXVMZHU-CBINBANVSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001016718792 664577123 /nfs/dbraw/zinc/57/71/23/664577123.db2.gz KKRKDIDIXVMZHU-CBINBANVSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)O1 ZINC001016954828 664579519 /nfs/dbraw/zinc/57/95/19/664579519.db2.gz URGNAZQCQBPAQJ-AGVGLQIMSA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)O1 ZINC001016954828 664579520 /nfs/dbraw/zinc/57/95/20/664579520.db2.gz URGNAZQCQBPAQJ-AGVGLQIMSA-N 1 1 312.370 -1.704 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001017044287 664579873 /nfs/dbraw/zinc/57/98/73/664579873.db2.gz RQIREWHHSYVYQR-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001017044289 664579962 /nfs/dbraw/zinc/57/99/62/664579962.db2.gz RQIREWHHSYVYQR-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200520 664580433 /nfs/dbraw/zinc/58/04/33/664580433.db2.gz QVDSYKLTGJAPBC-UWVGGRQHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200520 664580437 /nfs/dbraw/zinc/58/04/37/664580437.db2.gz QVDSYKLTGJAPBC-UWVGGRQHSA-N 1 1 309.374 -1.073 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001017195943 664580469 /nfs/dbraw/zinc/58/04/69/664580469.db2.gz ZFJAGCPJPFUMQS-VIFPVBQESA-N 1 1 310.358 -1.736 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCN(C(=O)C(N)=O)C2)nc1=O ZINC001017195942 664580807 /nfs/dbraw/zinc/58/08/07/664580807.db2.gz ZFJAGCPJPFUMQS-SECBINFHSA-N 1 1 310.358 -1.736 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001017626685 664582275 /nfs/dbraw/zinc/58/22/75/664582275.db2.gz MWJPCIXEAWPJSQ-ZNSHCXBVSA-N 1 1 310.354 -1.360 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O ZINC001017621349 664582367 /nfs/dbraw/zinc/58/23/67/664582367.db2.gz NDCGAZHPXMIFCU-UPJWGTAASA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001017737655 664582774 /nfs/dbraw/zinc/58/27/74/664582774.db2.gz PQHLYLVPEDXJIN-PWSUYJOCSA-N 1 1 308.382 -1.056 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001018007369 664584335 /nfs/dbraw/zinc/58/43/35/664584335.db2.gz KRUVZTLSFTZZOK-ZNSHCXBVSA-N 1 1 310.354 -1.360 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001018281571 664585248 /nfs/dbraw/zinc/58/52/48/664585248.db2.gz ABLMZYORPWJIGC-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001018281571 664585251 /nfs/dbraw/zinc/58/52/51/664585251.db2.gz ABLMZYORPWJIGC-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O ZINC001018246357 664585370 /nfs/dbraw/zinc/58/53/70/664585370.db2.gz MQPXNZHFDGFEGM-UTUOFQBUSA-N 1 1 324.381 -1.064 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001018281572 664585374 /nfs/dbraw/zinc/58/53/74/664585374.db2.gz ABLMZYORPWJIGC-TUAOUCFPSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001018281572 664585375 /nfs/dbraw/zinc/58/53/75/664585375.db2.gz ABLMZYORPWJIGC-TUAOUCFPSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001018281884 664585379 /nfs/dbraw/zinc/58/53/79/664585379.db2.gz IVZDRCHLVXVOIF-WISYIIOYSA-N 1 1 317.411 -1.266 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001018481450 664587120 /nfs/dbraw/zinc/58/71/20/664587120.db2.gz LQQZOKZIYUKMNN-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001018481729 664587190 /nfs/dbraw/zinc/58/71/90/664587190.db2.gz NIGMGAYQRGFWMF-NSHDSACASA-N 1 1 319.373 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001018517244 664587345 /nfs/dbraw/zinc/58/73/45/664587345.db2.gz JICRPZGMUHQJFI-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC001018586755 664587983 /nfs/dbraw/zinc/58/79/83/664587983.db2.gz VQQDJWBESWCARQ-VIFPVBQESA-N 1 1 301.372 -1.450 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001018663476 664588490 /nfs/dbraw/zinc/58/84/90/664588490.db2.gz DYRMRDSSSVNSCA-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001018656250 664588511 /nfs/dbraw/zinc/58/85/11/664588511.db2.gz ATEFCENZXIXQLN-QWRGUYRKSA-N 1 1 305.338 -1.052 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001018663831 664588681 /nfs/dbraw/zinc/58/86/81/664588681.db2.gz RCQBEQDWDZXZJV-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001018663830 664588827 /nfs/dbraw/zinc/58/88/27/664588827.db2.gz RCQBEQDWDZXZJV-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001018733528 664589605 /nfs/dbraw/zinc/58/96/05/664589605.db2.gz WJGYLBHQILMGOI-LBPRGKRZSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001018807808 664590220 /nfs/dbraw/zinc/59/02/20/664590220.db2.gz BTPVFRJPGOYRKM-IUCAKERBSA-N 1 1 305.346 -1.096 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018850104 664590254 /nfs/dbraw/zinc/59/02/54/664590254.db2.gz NTFRWXSZHMYHAB-JTQLQIEISA-N 1 1 320.361 -1.369 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1)c1nncn1C ZINC001018851897 664590700 /nfs/dbraw/zinc/59/07/00/664590700.db2.gz XAVCWPRTENPULI-ZJUUUORDSA-N 1 1 305.346 -1.247 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001018859426 664590738 /nfs/dbraw/zinc/59/07/38/664590738.db2.gz TUTSRARVAMFXBR-OUAUKWLOSA-N 1 1 321.385 -1.185 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)n1 ZINC001018870008 664590772 /nfs/dbraw/zinc/59/07/72/664590772.db2.gz FUOCFZFDBDPGDJ-QMMMGPOBSA-N 1 1 320.313 -1.849 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001018850497 664590869 /nfs/dbraw/zinc/59/08/69/664590869.db2.gz VMYHYAAZVVXXRH-JTQLQIEISA-N 1 1 323.336 -1.375 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001018850972 664590895 /nfs/dbraw/zinc/59/08/95/664590895.db2.gz IGVOYFVFYVUGLA-NSHDSACASA-N 1 1 319.373 -1.016 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018850541 664591000 /nfs/dbraw/zinc/59/10/00/664591000.db2.gz XHTOBGACGCEYTN-VIFPVBQESA-N 1 1 318.345 -1.615 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1)c1nnnn1C ZINC001018915553 664591922 /nfs/dbraw/zinc/59/19/22/664591922.db2.gz GVUMUATVIUMCPO-ZJUUUORDSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974209 664592407 /nfs/dbraw/zinc/59/24/07/664592407.db2.gz CBDBLVGZSIAWDF-JTQLQIEISA-N 1 1 323.357 -2.241 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001018999119 664592770 /nfs/dbraw/zinc/59/27/70/664592770.db2.gz GWPYFYINHMDWIM-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)c1nnnn1C ZINC001018997961 664592774 /nfs/dbraw/zinc/59/27/74/664592774.db2.gz IUUOPIDWTDKPKX-BDAKNGLRSA-N 1 1 309.374 -1.027 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)c1nnnn1C ZINC001018997962 664592864 /nfs/dbraw/zinc/59/28/64/664592864.db2.gz IUUOPIDWTDKPKX-IUCAKERBSA-N 1 1 309.374 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001019034356 664593342 /nfs/dbraw/zinc/59/33/42/664593342.db2.gz AGROAVNKOMYKHX-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC001019047923 664593553 /nfs/dbraw/zinc/59/35/53/664593553.db2.gz OZFIJKBOWDKHQB-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019066777 664593775 /nfs/dbraw/zinc/59/37/75/664593775.db2.gz WHVJUYINYNWFQL-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ncccn3)C2)c1=O ZINC001019063172 664593898 /nfs/dbraw/zinc/59/38/98/664593898.db2.gz DGRLGWUUAAXJLS-NSHDSACASA-N 1 1 317.353 -1.238 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)c1=O ZINC001019063206 664593913 /nfs/dbraw/zinc/59/39/13/664593913.db2.gz GJCJKILXBBUYLU-JTQLQIEISA-N 1 1 320.357 -1.899 20 0 DAADMO COc1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)nn1C ZINC001019123315 664595162 /nfs/dbraw/zinc/59/51/62/664595162.db2.gz GNMMEDQOPKJEJJ-VIFPVBQESA-N 1 1 320.357 -1.044 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001019167456 664595447 /nfs/dbraw/zinc/59/54/47/664595447.db2.gz RPGWXQGZNIJHQX-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO CCn1cc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001019177877 664595585 /nfs/dbraw/zinc/59/55/85/664595585.db2.gz IVAQKBDJOJTCIC-JTQLQIEISA-N 1 1 319.373 -1.245 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001019194284 664595922 /nfs/dbraw/zinc/59/59/22/664595922.db2.gz WITWAOVKYHVMHI-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019224451 664595994 /nfs/dbraw/zinc/59/59/94/664595994.db2.gz RPLYJIIUPWNGTI-IUCAKERBSA-N 1 1 306.326 -1.278 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019225315 664596107 /nfs/dbraw/zinc/59/61/07/664596107.db2.gz VGXYDZDTMHRCSH-NSHDSACASA-N 1 1 322.369 -1.224 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC001019233324 664596169 /nfs/dbraw/zinc/59/61/69/664596169.db2.gz NJDAHABNNFXOLH-NSHDSACASA-N 1 1 321.385 -2.063 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001019240254 664596410 /nfs/dbraw/zinc/59/64/10/664596410.db2.gz DMCVHDFERLZCSG-ONGXEEELSA-N 1 1 307.358 -1.471 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001019258759 664596949 /nfs/dbraw/zinc/59/69/49/664596949.db2.gz QFMVDRIJXHBJPV-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nncn1C ZINC001019258624 664596957 /nfs/dbraw/zinc/59/69/57/664596957.db2.gz JOWQHHOJPANCSX-IUCAKERBSA-N 1 1 305.346 -1.096 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001019258912 664597050 /nfs/dbraw/zinc/59/70/50/664597050.db2.gz YKAGFTUCZRRAJC-YUMQZZPRSA-N 1 1 306.334 -1.701 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019258522 664597245 /nfs/dbraw/zinc/59/72/45/664597245.db2.gz DFGJNTMBUAUXNE-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001019308580 664598015 /nfs/dbraw/zinc/59/80/15/664598015.db2.gz ABZZCINPZWVAIU-GXSJLCMTSA-N 1 1 307.358 -1.330 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001019308581 664598304 /nfs/dbraw/zinc/59/83/04/664598304.db2.gz ABZZCINPZWVAIU-ONGXEEELSA-N 1 1 307.358 -1.330 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019308951 664598328 /nfs/dbraw/zinc/59/83/28/664598328.db2.gz LQFYPGDGSOJQMX-WPRPVWTQSA-N 1 1 320.357 -1.620 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001019309199 664598429 /nfs/dbraw/zinc/59/84/29/664598429.db2.gz SDTQZUMWLFLSAS-JQWIXIFHSA-N 1 1 321.385 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019353787 664598649 /nfs/dbraw/zinc/59/86/49/664598649.db2.gz AXBBIFMFYXMOEW-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019353787 664598650 /nfs/dbraw/zinc/59/86/50/664598650.db2.gz AXBBIFMFYXMOEW-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001019330245 664598859 /nfs/dbraw/zinc/59/88/59/664598859.db2.gz UDLMVNUOALUZBG-QMMMGPOBSA-N 1 1 306.330 -1.347 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001019376885 664600253 /nfs/dbraw/zinc/60/02/53/664600253.db2.gz CCYUZCMSJLILGB-INTQDDNPSA-N 1 1 309.326 -1.207 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001019359885 664600258 /nfs/dbraw/zinc/60/02/58/664600258.db2.gz PKMSHYGXSACTGB-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC001019507701 664601697 /nfs/dbraw/zinc/60/16/97/664601697.db2.gz JRWDALIUXUBTRV-JTQLQIEISA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001019507882 664601873 /nfs/dbraw/zinc/60/18/73/664601873.db2.gz USNLOOFKSMTPOC-JTQLQIEISA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001019504484 664601904 /nfs/dbraw/zinc/60/19/04/664601904.db2.gz PIILVWAYBXIUGW-UWVGGRQHSA-N 1 1 307.358 -1.431 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527862 664602229 /nfs/dbraw/zinc/60/22/29/664602229.db2.gz YTGMZOBPNTVVCW-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001019558598 664602765 /nfs/dbraw/zinc/60/27/65/664602765.db2.gz BCZPDBBNGVADHQ-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001019557680 664602824 /nfs/dbraw/zinc/60/28/24/664602824.db2.gz OGSCPGMJMRZYII-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001019558890 664602827 /nfs/dbraw/zinc/60/28/27/664602827.db2.gz QSPAUKWDARSNPW-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1 ZINC001019590197 664603036 /nfs/dbraw/zinc/60/30/36/664603036.db2.gz LRXVMOPEXFSBBO-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001019678957 664603483 /nfs/dbraw/zinc/60/34/83/664603483.db2.gz HIHHGIBVBWBEFK-GUBZILKMSA-N 1 1 307.358 -1.260 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019748325 664603855 /nfs/dbraw/zinc/60/38/55/664603855.db2.gz WSRRMVSOONFCLJ-QMMMGPOBSA-N 1 1 324.366 -1.220 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC001019748358 664603868 /nfs/dbraw/zinc/60/38/68/664603868.db2.gz YNBWMGNKOGHWHL-VIFPVBQESA-N 1 1 321.341 -1.645 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019748879 664603963 /nfs/dbraw/zinc/60/39/63/664603963.db2.gz KBWBQMRUNFHKLZ-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001019719147 664603969 /nfs/dbraw/zinc/60/39/69/664603969.db2.gz NVKOSGCEXQCVCE-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019748057 664604048 /nfs/dbraw/zinc/60/40/48/664604048.db2.gz NPIJWDBAJPVAAH-QMMMGPOBSA-N 1 1 308.298 -1.688 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cncn2)C1)c1nnnn1C ZINC001019745987 664604203 /nfs/dbraw/zinc/60/42/03/664604203.db2.gz XQFIRMQBCWKALT-UWVGGRQHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001019753447 664604563 /nfs/dbraw/zinc/60/45/63/664604563.db2.gz PGSWEZJPKSBDFD-JTQLQIEISA-N 1 1 320.353 -1.345 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892623 664606040 /nfs/dbraw/zinc/60/60/40/664606040.db2.gz RGYDPSCDVZAEFL-IUCAKERBSA-N 1 1 321.341 -2.047 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892408 664606056 /nfs/dbraw/zinc/60/60/56/664606056.db2.gz IPAJSKRLUVPMHR-ZJUUUORDSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892407 664606091 /nfs/dbraw/zinc/60/60/91/664606091.db2.gz IPAJSKRLUVPMHR-UWVGGRQHSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC001019892288 664606166 /nfs/dbraw/zinc/60/61/66/664606166.db2.gz CQPAKPTUDAKFIY-UWVGGRQHSA-N 1 1 320.353 -1.442 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019975463 664607474 /nfs/dbraw/zinc/60/74/74/664607474.db2.gz CNHPEWHJTNTICF-MGCOHNPYSA-N 1 1 320.361 -1.323 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001020074277 664608075 /nfs/dbraw/zinc/60/80/75/664608075.db2.gz AOKFJBMBEPPCSK-OPRDCNLKSA-N 1 1 308.342 -1.100 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001020045938 664608475 /nfs/dbraw/zinc/60/84/75/664608475.db2.gz PQMDRIFSLLVZAC-GVXVVHGQSA-N 1 1 308.386 -1.118 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CN=NC3=O)C2)n1 ZINC001020087647 664608740 /nfs/dbraw/zinc/60/87/40/664608740.db2.gz LHQGWGPEWZQAHA-KYZUINATSA-N 1 1 306.330 -1.451 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCN2C)C1)c1nnnn1C ZINC001020089614 664608765 /nfs/dbraw/zinc/60/87/65/664608765.db2.gz RAWDMRDUGKDGHE-BJDJZHNGSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001020110448 664608875 /nfs/dbraw/zinc/60/88/75/664608875.db2.gz TZLUTQCIKCZBBB-XYPYZODXSA-N 1 1 302.342 -1.020 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCN2C)C1)c1nnnn1C ZINC001020089615 664609043 /nfs/dbraw/zinc/60/90/43/664609043.db2.gz RAWDMRDUGKDGHE-DDHJBXDOSA-N 1 1 323.401 -1.162 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1COC(=O)N1 ZINC001020121685 664609188 /nfs/dbraw/zinc/60/91/88/664609188.db2.gz SIKPDAXAKNGFSY-NQMVMOMDSA-N 1 1 321.341 -1.147 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001020115329 664609240 /nfs/dbraw/zinc/60/92/40/664609240.db2.gz WJGJVZFXOGGBTR-OPRDCNLKSA-N 1 1 323.357 -1.072 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1)c1nnnn1C ZINC001020118224 664609389 /nfs/dbraw/zinc/60/93/89/664609389.db2.gz GSMVSGUFTJKKBI-CIUDSAMLSA-N 1 1 305.346 -1.050 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001020115328 664609450 /nfs/dbraw/zinc/60/94/50/664609450.db2.gz WJGJVZFXOGGBTR-GUBZILKMSA-N 1 1 323.357 -1.072 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001020210361 664610068 /nfs/dbraw/zinc/61/00/68/664610068.db2.gz AMTQYWMSVYVAAB-LMLFDSFASA-N 1 1 321.385 -1.014 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001020210362 664610163 /nfs/dbraw/zinc/61/01/63/664610163.db2.gz AMTQYWMSVYVAAB-NAKRPEOUSA-N 1 1 321.385 -1.014 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)n1 ZINC001020173928 664610174 /nfs/dbraw/zinc/61/01/74/664610174.db2.gz LHQPCRKJMHFCJR-ZKCHVHJHSA-N 1 1 320.313 -1.803 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020250010 664610865 /nfs/dbraw/zinc/61/08/65/664610865.db2.gz LYIJZRSTGUGWTK-ZKWXMUAHSA-N 1 1 324.366 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020271179 664611271 /nfs/dbraw/zinc/61/12/71/664611271.db2.gz IDOYDHQTZDVFJG-AXFHLTTASA-N 1 1 321.385 -1.119 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020305093 664611356 /nfs/dbraw/zinc/61/13/56/664611356.db2.gz LWLGRBWXMFLERQ-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020305093 664611357 /nfs/dbraw/zinc/61/13/57/664611357.db2.gz LWLGRBWXMFLERQ-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001020286789 664611388 /nfs/dbraw/zinc/61/13/88/664611388.db2.gz NTPVDUCUOUCFGI-GWOFURMSSA-N 1 1 324.385 -1.034 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001020286789 664611389 /nfs/dbraw/zinc/61/13/89/664611389.db2.gz NTPVDUCUOUCFGI-GWOFURMSSA-N 1 1 324.385 -1.034 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)O1 ZINC001038395122 664612941 /nfs/dbraw/zinc/61/29/41/664612941.db2.gz BCDAGPAJWYJUBY-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)O1 ZINC001038395122 664612944 /nfs/dbraw/zinc/61/29/44/664612944.db2.gz BCDAGPAJWYJUBY-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2CCO)nn1-c1nc[nH]n1 ZINC001038559680 664614455 /nfs/dbraw/zinc/61/44/55/664614455.db2.gz LYQFWINQBXCRGL-SECBINFHSA-N 1 1 306.330 -1.510 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001038559680 664614458 /nfs/dbraw/zinc/61/44/58/664614458.db2.gz LYQFWINQBXCRGL-SECBINFHSA-N 1 1 306.330 -1.510 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](C)O)nn1-c1nc[nH]n1 ZINC001038575773 664614611 /nfs/dbraw/zinc/61/46/11/664614611.db2.gz NNFZEOPBDIGKOQ-WCBMZHEXSA-N 1 1 320.357 -1.121 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](C)O)nn1-c1nc[nH]n1 ZINC001038575773 664614612 /nfs/dbraw/zinc/61/46/12/664614612.db2.gz NNFZEOPBDIGKOQ-WCBMZHEXSA-N 1 1 320.357 -1.121 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)C1=O ZINC001038618692 664614931 /nfs/dbraw/zinc/61/49/31/664614931.db2.gz DHRKKGLNRBZFLR-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)C1=O ZINC001038618692 664614938 /nfs/dbraw/zinc/61/49/38/664614938.db2.gz DHRKKGLNRBZFLR-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038615779 664615059 /nfs/dbraw/zinc/61/50/59/664615059.db2.gz RMWQODGCTHCQDK-DCQANWLSSA-N 1 1 322.365 -1.379 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038615779 664615061 /nfs/dbraw/zinc/61/50/61/664615061.db2.gz RMWQODGCTHCQDK-DCQANWLSSA-N 1 1 322.365 -1.379 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)C1=O ZINC001038618684 664615180 /nfs/dbraw/zinc/61/51/80/664615180.db2.gz DHRKKGLNRBZFLR-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)C1=O ZINC001038618684 664615182 /nfs/dbraw/zinc/61/51/82/664615182.db2.gz DHRKKGLNRBZFLR-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038651303 664615655 /nfs/dbraw/zinc/61/56/55/664615655.db2.gz OSNPHHAWRGFCAY-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038651303 664615657 /nfs/dbraw/zinc/61/56/57/664615657.db2.gz OSNPHHAWRGFCAY-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1=O ZINC001038653384 664615725 /nfs/dbraw/zinc/61/57/25/664615725.db2.gz WQFBNSRHICHILO-VXGBXAGGSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1=O ZINC001038653384 664615726 /nfs/dbraw/zinc/61/57/26/664615726.db2.gz WQFBNSRHICHILO-VXGBXAGGSA-N 1 1 319.365 -1.243 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038653022 664615734 /nfs/dbraw/zinc/61/57/34/664615734.db2.gz VSLZGIHBRFEAMG-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038682670 664616179 /nfs/dbraw/zinc/61/61/79/664616179.db2.gz RJXPJIOUPTWMEN-QMMMGPOBSA-N 1 1 317.371 -1.756 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038682670 664616181 /nfs/dbraw/zinc/61/61/81/664616181.db2.gz RJXPJIOUPTWMEN-QMMMGPOBSA-N 1 1 317.371 -1.756 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038756112 664616465 /nfs/dbraw/zinc/61/64/65/664616465.db2.gz GOIMCKGWGSZRIA-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038756112 664616467 /nfs/dbraw/zinc/61/64/67/664616467.db2.gz GOIMCKGWGSZRIA-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCO)C1CC2(C1)NC(=O)NC2=O ZINC001038800709 664616957 /nfs/dbraw/zinc/61/69/57/664616957.db2.gz JWIXBZWYBPRFSE-XIRUVYRFSA-N 1 1 310.354 -1.453 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038765555 664617234 /nfs/dbraw/zinc/61/72/34/664617234.db2.gz ACXMDEQAYQAUQB-SNVBAGLBSA-N 1 1 310.354 -1.466 20 0 DAADMO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCNC1=O)CC2 ZINC001039329595 664619062 /nfs/dbraw/zinc/61/90/62/664619062.db2.gz ICAQWTRHANOYHE-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCNC1=O)CC2 ZINC001039329595 664619065 /nfs/dbraw/zinc/61/90/65/664619065.db2.gz ICAQWTRHANOYHE-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374706 664619441 /nfs/dbraw/zinc/61/94/41/664619441.db2.gz GOOHSTJBNZIAOT-AXFHLTTASA-N 1 1 307.358 -1.388 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374706 664619442 /nfs/dbraw/zinc/61/94/42/664619442.db2.gz GOOHSTJBNZIAOT-AXFHLTTASA-N 1 1 307.358 -1.388 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641851 677685416 /nfs/dbraw/zinc/68/54/16/677685416.db2.gz RITNRYOJUYCRME-SECBINFHSA-N 1 1 302.331 -3.261 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641851 677685417 /nfs/dbraw/zinc/68/54/17/677685417.db2.gz RITNRYOJUYCRME-SECBINFHSA-N 1 1 302.331 -3.261 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083330265 677690534 /nfs/dbraw/zinc/69/05/34/677690534.db2.gz NZVBNWYIXUPPBW-TUAOUCFPSA-N 1 1 310.358 -1.739 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083491118 677725975 /nfs/dbraw/zinc/72/59/75/677725975.db2.gz OCMMZNSRUOETOY-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487474 677726076 /nfs/dbraw/zinc/72/60/76/677726076.db2.gz XRLIJBKFAVQXCP-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487474 677726080 /nfs/dbraw/zinc/72/60/80/677726080.db2.gz XRLIJBKFAVQXCP-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083491079 677726120 /nfs/dbraw/zinc/72/61/20/677726120.db2.gz MFQFSXPTGRDYKK-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)c1 ZINC001076881888 677764335 /nfs/dbraw/zinc/76/43/35/677764335.db2.gz ZTRGFNHIQWLNCQ-CHWSQXEVSA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)c1 ZINC001076881888 677764338 /nfs/dbraw/zinc/76/43/38/677764338.db2.gz ZTRGFNHIQWLNCQ-CHWSQXEVSA-N 1 1 321.381 -1.175 20 0 DAADMO CN1C(=O)CS/C1=C/C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179455 677822586 /nfs/dbraw/zinc/82/25/86/677822586.db2.gz QERQGLJSJMKUQY-QNCMIEPLSA-N 1 1 301.368 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCn2cncc2C1 ZINC001077251833 677793812 /nfs/dbraw/zinc/79/38/12/677793812.db2.gz RDZMIGQESDHFBH-IACUBPJLSA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001077263304 677793892 /nfs/dbraw/zinc/79/38/92/677793892.db2.gz SFJSHWUDNMQXBO-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001077263304 677793894 /nfs/dbraw/zinc/79/38/94/677793894.db2.gz SFJSHWUDNMQXBO-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573575 677800514 /nfs/dbraw/zinc/80/05/14/677800514.db2.gz NQFGXZVGGNQVQZ-MCIONIFRSA-N 1 1 322.413 -1.039 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001077333489 677800744 /nfs/dbraw/zinc/80/07/44/677800744.db2.gz LQOULRWRYXUSES-QJPTWQEYSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001077333489 677800746 /nfs/dbraw/zinc/80/07/46/677800746.db2.gz LQOULRWRYXUSES-QJPTWQEYSA-N 1 1 302.396 -1.008 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649918 677816640 /nfs/dbraw/zinc/81/66/40/677816640.db2.gz WSRJEVJNDAFPIL-AXTRIDKLSA-N 1 1 320.353 -1.481 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)NC1=NCC(=O)N1C ZINC000912498282 677818454 /nfs/dbraw/zinc/81/84/54/677818454.db2.gz NUUQEWTXLVCJEQ-UHFFFAOYSA-N 1 1 300.359 -1.085 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001046531590 677846153 /nfs/dbraw/zinc/84/61/53/677846153.db2.gz QJJBFZGOUFCQAL-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740729 677852726 /nfs/dbraw/zinc/85/27/26/677852726.db2.gz NBFZDBWONZKAQE-MXWKQRLJSA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740729 677852728 /nfs/dbraw/zinc/85/27/28/677852728.db2.gz NBFZDBWONZKAQE-MXWKQRLJSA-N 1 1 308.342 -2.274 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083787623 677880038 /nfs/dbraw/zinc/88/00/38/677880038.db2.gz KMZUWGWECWLTFF-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083787623 677880040 /nfs/dbraw/zinc/88/00/40/677880040.db2.gz KMZUWGWECWLTFF-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(C)nn1C ZINC001077766868 677880157 /nfs/dbraw/zinc/88/01/57/677880157.db2.gz ZFXSOFUUAYBCSD-JMJZKYOTSA-N 1 1 312.370 -1.107 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001083793389 677884251 /nfs/dbraw/zinc/88/42/51/677884251.db2.gz OVAQDYHALKSNIW-UTUOFQBUSA-N 1 1 324.385 -1.567 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077820849 677885082 /nfs/dbraw/zinc/88/50/82/677885082.db2.gz NMGSGJNEVXULJE-GMTAPVOTSA-N 1 1 305.400 -1.408 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077821072 677885151 /nfs/dbraw/zinc/88/51/51/677885151.db2.gz XTJVTILJORPJAY-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043629564 677932911 /nfs/dbraw/zinc/93/29/11/677932911.db2.gz RIDKHWZORQXMBB-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043629564 677932915 /nfs/dbraw/zinc/93/29/15/677932915.db2.gz RIDKHWZORQXMBB-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058377169 677940709 /nfs/dbraw/zinc/94/07/09/677940709.db2.gz RILBEHKQVSMVFU-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058377169 677940712 /nfs/dbraw/zinc/94/07/12/677940712.db2.gz RILBEHKQVSMVFU-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193054 677918077 /nfs/dbraw/zinc/91/80/77/677918077.db2.gz APODNGQTSKEVAN-GMTAPVOTSA-N 1 1 303.384 -1.751 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC001063306136 677986978 /nfs/dbraw/zinc/98/69/78/677986978.db2.gz ULPNCAAMJPNNJC-QWRGUYRKSA-N 1 1 324.381 -1.510 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080752346 678040920 /nfs/dbraw/zinc/04/09/20/678040920.db2.gz ONYKFHQSXDIKDM-GHMZBOCLSA-N 1 1 321.385 -1.191 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080752346 678040923 /nfs/dbraw/zinc/04/09/23/678040923.db2.gz ONYKFHQSXDIKDM-GHMZBOCLSA-N 1 1 321.385 -1.191 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080752346 678040927 /nfs/dbraw/zinc/04/09/27/678040927.db2.gz ONYKFHQSXDIKDM-GHMZBOCLSA-N 1 1 321.385 -1.191 20 0 DAADMO CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH+](CC(N)=O)CC1 ZINC001079164157 678017955 /nfs/dbraw/zinc/01/79/55/678017955.db2.gz VHKWKAKNMLTOSM-STQMWFEESA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771809 678026472 /nfs/dbraw/zinc/02/64/72/678026472.db2.gz UWKNZPXVTFQEOM-VXGBXAGGSA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771446 678026576 /nfs/dbraw/zinc/02/65/76/678026576.db2.gz DTHKUEHKNUECTG-GMTAPVOTSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771446 678026580 /nfs/dbraw/zinc/02/65/80/678026580.db2.gz DTHKUEHKNUECTG-GMTAPVOTSA-N 1 1 320.353 -1.480 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035625 678030532 /nfs/dbraw/zinc/03/05/32/678030532.db2.gz VTFQWRHXUKXRKA-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035625 678030534 /nfs/dbraw/zinc/03/05/34/678030534.db2.gz VTFQWRHXUKXRKA-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001080063009 678030539 /nfs/dbraw/zinc/03/05/39/678030539.db2.gz KEAFKQATKKUTJB-GHMZBOCLSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035464 678030584 /nfs/dbraw/zinc/03/05/84/678030584.db2.gz NSVSUGRXFCNYKZ-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035464 678030585 /nfs/dbraw/zinc/03/05/85/678030585.db2.gz NSVSUGRXFCNYKZ-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)COC)C1 ZINC001081181610 678054977 /nfs/dbraw/zinc/05/49/77/678054977.db2.gz UOEVWZDGTGYXHL-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334481 678065969 /nfs/dbraw/zinc/06/59/69/678065969.db2.gz UVBQRCQASWNXCI-GHMZBOCLSA-N 1 1 321.345 -2.220 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334481 678065972 /nfs/dbraw/zinc/06/59/72/678065972.db2.gz UVBQRCQASWNXCI-GHMZBOCLSA-N 1 1 321.345 -2.220 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334437 678066004 /nfs/dbraw/zinc/06/60/04/678066004.db2.gz RYNJGXJKDUVABL-QJPTWQEYSA-N 1 1 310.358 -1.475 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnc(N(C)C)cn1 ZINC001081664572 678092986 /nfs/dbraw/zinc/09/29/86/678092986.db2.gz HYWTZVDTVIWBRE-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnc(N(C)C)cn1 ZINC001081664572 678092987 /nfs/dbraw/zinc/09/29/87/678092987.db2.gz HYWTZVDTVIWBRE-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481549 678078609 /nfs/dbraw/zinc/07/86/09/678078609.db2.gz MOCSQPHSRPZXPX-UTUOFQBUSA-N 1 1 314.386 -2.122 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481549 678078612 /nfs/dbraw/zinc/07/86/12/678078612.db2.gz MOCSQPHSRPZXPX-UTUOFQBUSA-N 1 1 314.386 -2.122 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081500381 678080468 /nfs/dbraw/zinc/08/04/68/678080468.db2.gz UEVHUULMFLZIFG-PWSUYJOCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081500380 678080562 /nfs/dbraw/zinc/08/05/62/678080562.db2.gz UEVHUULMFLZIFG-JQWIXIFHSA-N 1 1 322.369 -1.550 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081553774 678083550 /nfs/dbraw/zinc/08/35/50/678083550.db2.gz NGOHCBLIYUWTFX-VHSXEESVSA-N 1 1 300.359 -2.253 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589290 678086433 /nfs/dbraw/zinc/08/64/33/678086433.db2.gz CRUOUHICBBRIAT-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589290 678086437 /nfs/dbraw/zinc/08/64/37/678086437.db2.gz CRUOUHICBBRIAT-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589290 678086438 /nfs/dbraw/zinc/08/64/38/678086438.db2.gz CRUOUHICBBRIAT-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001065574184 678133835 /nfs/dbraw/zinc/13/38/35/678133835.db2.gz CHKWYAISQNQYAZ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001066773678 678142083 /nfs/dbraw/zinc/14/20/83/678142083.db2.gz LLUIFGROFHVIQL-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740950 678162926 /nfs/dbraw/zinc/16/29/26/678162926.db2.gz QTEWVAAZBGXNNR-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072741024 678163047 /nfs/dbraw/zinc/16/30/47/678163047.db2.gz TVXCULFBFIXSRM-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072740618 678163074 /nfs/dbraw/zinc/16/30/74/678163074.db2.gz CSEXFLABBXQKTN-SNVBAGLBSA-N 1 1 305.342 -1.904 20 0 DAADMO Cn1c(=O)cccc1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083188871 677681025 /nfs/dbraw/zinc/68/10/25/677681025.db2.gz QCMXGOZXJVDHEE-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO Cn1c(=O)cccc1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083188871 677681026 /nfs/dbraw/zinc/68/10/26/677681026.db2.gz QCMXGOZXJVDHEE-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO O=C(CCc1cnc[nH]1)NCCN(CCO)C(=O)c1cnon1 ZINC001058513542 677681113 /nfs/dbraw/zinc/68/11/13/677681113.db2.gz FUYRRFBGSPXTAY-UHFFFAOYSA-N 1 1 322.325 -1.024 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cnon2)C1 ZINC001058515373 677681180 /nfs/dbraw/zinc/68/11/80/677681180.db2.gz AATYOELMZAUNGI-SNVBAGLBSA-N 1 1 311.342 -1.428 20 0 DAADMO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969615376 677681249 /nfs/dbraw/zinc/68/12/49/677681249.db2.gz BBSBZTNZQNAJHN-SCZZXKLOSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969601315 677681321 /nfs/dbraw/zinc/68/13/21/677681321.db2.gz HYMBGZJUKCGSRI-PSASIEDQSA-N 1 1 320.353 -1.330 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1C ZINC000969624945 677681357 /nfs/dbraw/zinc/68/13/57/677681357.db2.gz GLVLXWAPSCYOQW-SECBINFHSA-N 1 1 319.373 -1.095 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000969624544 677681372 /nfs/dbraw/zinc/68/13/72/677681372.db2.gz CFTUIIJFPQCOLM-SECBINFHSA-N 1 1 320.361 -1.218 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041538613 677681462 /nfs/dbraw/zinc/68/14/62/677681462.db2.gz AFRVJSSIGWYYJC-OAHLLOKOSA-N 1 1 310.398 -1.665 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)[nH]1 ZINC001083196628 677681716 /nfs/dbraw/zinc/68/17/16/677681716.db2.gz ZVYQGGWKIKQSQP-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)[nH]1 ZINC001083196628 677681717 /nfs/dbraw/zinc/68/17/17/677681717.db2.gz ZVYQGGWKIKQSQP-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO Cn1ncc(CCC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083195577 677681723 /nfs/dbraw/zinc/68/17/23/677681723.db2.gz CMGGSDPQKZRQQC-QWHCGFSZSA-N 1 1 309.370 -1.348 20 0 DAADMO Cn1ncc(CCC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083195577 677681724 /nfs/dbraw/zinc/68/17/24/677681724.db2.gz CMGGSDPQKZRQQC-QWHCGFSZSA-N 1 1 309.370 -1.348 20 0 DAADMO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000890891014 677681939 /nfs/dbraw/zinc/68/19/39/677681939.db2.gz IGXKWBUFAROIMD-QWRGUYRKSA-N 1 1 319.427 -1.008 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083207753 677682221 /nfs/dbraw/zinc/68/22/21/677682221.db2.gz MULYMLCGKATRRP-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083207753 677682222 /nfs/dbraw/zinc/68/22/22/677682222.db2.gz MULYMLCGKATRRP-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001022015681 677682458 /nfs/dbraw/zinc/68/24/58/677682458.db2.gz RLQTUBKIMQSKEW-FXAINCCUSA-N 1 1 321.385 -1.014 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971543990 677682658 /nfs/dbraw/zinc/68/26/58/677682658.db2.gz VKBLBHQZANGOON-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 ZINC001083221157 677682746 /nfs/dbraw/zinc/68/27/46/677682746.db2.gz NOMSODYSGYSLDJ-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@H]2C1 ZINC001083221157 677682747 /nfs/dbraw/zinc/68/27/47/677682747.db2.gz NOMSODYSGYSLDJ-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO O=C(c1ncccn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083230083 677682825 /nfs/dbraw/zinc/68/28/25/677682825.db2.gz GVRZADWNMQFOJF-GRYCIOLGSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ncccn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083230083 677682826 /nfs/dbraw/zinc/68/28/26/677682826.db2.gz GVRZADWNMQFOJF-GRYCIOLGSA-N 1 1 317.349 -1.110 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)C1=O ZINC001083228183 677682839 /nfs/dbraw/zinc/68/28/39/677682839.db2.gz OYQKRODWGQQXKG-GRYCIOLGSA-N 1 1 321.337 -1.175 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)C1=O ZINC001083228183 677682840 /nfs/dbraw/zinc/68/28/40/677682840.db2.gz OYQKRODWGQQXKG-GRYCIOLGSA-N 1 1 321.337 -1.175 20 0 DAADMO O=C(c1ncn[n-]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083227166 677682917 /nfs/dbraw/zinc/68/29/17/677682917.db2.gz PNQNBMOIHQZKGE-LPEHRKFASA-N 1 1 306.326 -1.782 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001083232790 677682956 /nfs/dbraw/zinc/68/29/56/677682956.db2.gz SMZGPCLNPDBUPX-SDDRHHMPSA-N 1 1 310.358 -1.644 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1 ZINC001083234159 677683012 /nfs/dbraw/zinc/68/30/12/677683012.db2.gz OFQSOZRUEKVZMG-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1 ZINC001083234159 677683013 /nfs/dbraw/zinc/68/30/13/677683013.db2.gz OFQSOZRUEKVZMG-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083243881 677683144 /nfs/dbraw/zinc/68/31/44/677683144.db2.gz YUINFIMOFKCVLI-OUAUKWLOSA-N 1 1 320.353 -1.853 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083243881 677683145 /nfs/dbraw/zinc/68/31/45/677683145.db2.gz YUINFIMOFKCVLI-OUAUKWLOSA-N 1 1 320.353 -1.853 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083253365 677683313 /nfs/dbraw/zinc/68/33/13/677683313.db2.gz KRDNKKWOWRRKPG-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083253365 677683314 /nfs/dbraw/zinc/68/33/14/677683314.db2.gz KRDNKKWOWRRKPG-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987139 677683350 /nfs/dbraw/zinc/68/33/50/677683350.db2.gz XKSDIEXAUJCBHY-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987139 677683351 /nfs/dbraw/zinc/68/33/51/677683351.db2.gz XKSDIEXAUJCBHY-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001042092823 677683567 /nfs/dbraw/zinc/68/35/67/677683567.db2.gz RJBRYDAMYSDZJW-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)c1=O ZINC001042123719 677683676 /nfs/dbraw/zinc/68/36/76/677683676.db2.gz UJYFTJHYAYOCKS-VXGBXAGGSA-N 1 1 309.370 -1.503 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267106 677683907 /nfs/dbraw/zinc/68/39/07/677683907.db2.gz JIMMINHAPXHHCH-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267106 677683908 /nfs/dbraw/zinc/68/39/08/677683908.db2.gz JIMMINHAPXHHCH-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083266858 677683932 /nfs/dbraw/zinc/68/39/32/677683932.db2.gz URTMVDSNKRPCRL-GRYCIOLGSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083266858 677683933 /nfs/dbraw/zinc/68/39/33/677683933.db2.gz URTMVDSNKRPCRL-GRYCIOLGSA-N 1 1 320.353 -1.922 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 ZINC001083275947 677684460 /nfs/dbraw/zinc/68/44/60/677684460.db2.gz FIXQUNYMQXCUAQ-WCFLWFBJSA-N 1 1 321.381 -1.023 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083279171 677684550 /nfs/dbraw/zinc/68/45/50/677684550.db2.gz MWRQKVSPYATIPK-BFHYXJOUSA-N 1 1 313.398 -1.389 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083279171 677684551 /nfs/dbraw/zinc/68/45/51/677684551.db2.gz MWRQKVSPYATIPK-BFHYXJOUSA-N 1 1 313.398 -1.389 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)CC[N@H+]1C ZINC001058641596 677685402 /nfs/dbraw/zinc/68/54/02/677685402.db2.gz GZVDSIDSLCNONS-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO NC(=O)C(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001058644869 677685799 /nfs/dbraw/zinc/68/57/99/677685799.db2.gz MHOAMQYSFZFSCZ-JTQLQIEISA-N 1 1 323.353 -1.817 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646720 677685978 /nfs/dbraw/zinc/68/59/78/677685978.db2.gz VUTYAHLDAMMNCN-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531381 677686158 /nfs/dbraw/zinc/68/61/58/677686158.db2.gz IPRNRXAPHPEPJF-CMPLNLGQSA-N 1 1 317.357 -1.466 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531381 677686159 /nfs/dbraw/zinc/68/61/59/677686159.db2.gz IPRNRXAPHPEPJF-CMPLNLGQSA-N 1 1 317.357 -1.466 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 ZINC001083284501 677686250 /nfs/dbraw/zinc/68/62/50/677686250.db2.gz XDEVXSLIPBLSPC-NWDGAFQWSA-N 1 1 322.369 -1.301 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001075532938 677686314 /nfs/dbraw/zinc/68/63/14/677686314.db2.gz VPZYATFWMWKLEO-QJPTWQEYSA-N 1 1 319.369 -1.564 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075531335 677686336 /nfs/dbraw/zinc/68/63/36/677686336.db2.gz GQPMVIJLSADOTR-HBNTYKKESA-N 1 1 305.342 -1.906 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CCC1=O ZINC001083285663 677686435 /nfs/dbraw/zinc/68/64/35/677686435.db2.gz ZMCRXFWADJAQIF-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CCC1=O ZINC001083285663 677686436 /nfs/dbraw/zinc/68/64/36/677686436.db2.gz ZMCRXFWADJAQIF-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001075535227 677686568 /nfs/dbraw/zinc/68/65/68/677686568.db2.gz ZBYAIOSAGDPNOX-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001075535227 677686569 /nfs/dbraw/zinc/68/65/69/677686569.db2.gz ZBYAIOSAGDPNOX-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)N1CCOCC1 ZINC001083293393 677686918 /nfs/dbraw/zinc/68/69/18/677686918.db2.gz BUIRSBJKDHBSGH-MELADBBJSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)N1CCOCC1 ZINC001083293393 677686919 /nfs/dbraw/zinc/68/69/19/677686919.db2.gz BUIRSBJKDHBSGH-MELADBBJSA-N 1 1 313.398 -1.389 20 0 DAADMO CN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707839 677687003 /nfs/dbraw/zinc/68/70/03/677687003.db2.gz PWUXFSOPNMPICR-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CN1CCCC1 ZINC001058710618 677687122 /nfs/dbraw/zinc/68/71/22/677687122.db2.gz IDGHPDBZFAOWJM-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001083303097 677687217 /nfs/dbraw/zinc/68/72/17/677687217.db2.gz KSOSPFZYTFCHJD-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001075560651 677687509 /nfs/dbraw/zinc/68/75/09/677687509.db2.gz CFNICUXYDLBGBW-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cccnc1 ZINC001083310910 677687943 /nfs/dbraw/zinc/68/79/43/677687943.db2.gz PPQXCLWTTKKJAB-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cccnc1 ZINC001083310910 677687944 /nfs/dbraw/zinc/68/79/44/677687944.db2.gz PPQXCLWTTKKJAB-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001058846832 677688199 /nfs/dbraw/zinc/68/81/99/677688199.db2.gz GRZNRBUDFRHZLT-NWDGAFQWSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058844232 677688236 /nfs/dbraw/zinc/68/82/36/677688236.db2.gz XLBAQCWFSAEXNX-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001058847032 677688279 /nfs/dbraw/zinc/68/82/79/677688279.db2.gz LILZVASWEXUQMA-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058847032 677688280 /nfs/dbraw/zinc/68/82/80/677688280.db2.gz LILZVASWEXUQMA-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058847032 677688281 /nfs/dbraw/zinc/68/82/81/677688281.db2.gz LILZVASWEXUQMA-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058849288 677688392 /nfs/dbraw/zinc/68/83/92/677688392.db2.gz QSQFBZDKQQXOCD-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849288 677688393 /nfs/dbraw/zinc/68/83/93/677688393.db2.gz QSQFBZDKQQXOCD-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849288 677688394 /nfs/dbraw/zinc/68/83/94/677688394.db2.gz QSQFBZDKQQXOCD-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058849110 677688401 /nfs/dbraw/zinc/68/84/01/677688401.db2.gz OJQIQPQFYVCEHZ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849110 677688402 /nfs/dbraw/zinc/68/84/02/677688402.db2.gz OJQIQPQFYVCEHZ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849110 677688403 /nfs/dbraw/zinc/68/84/03/677688403.db2.gz OJQIQPQFYVCEHZ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849110 677688404 /nfs/dbraw/zinc/68/84/04/677688404.db2.gz OJQIQPQFYVCEHZ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849110 677688405 /nfs/dbraw/zinc/68/84/05/677688405.db2.gz OJQIQPQFYVCEHZ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083320529 677689111 /nfs/dbraw/zinc/68/91/11/677689111.db2.gz QYGYXSMLLSYUSH-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083320529 677689112 /nfs/dbraw/zinc/68/91/12/677689112.db2.gz QYGYXSMLLSYUSH-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccnnc2)C1 ZINC001058938394 677689430 /nfs/dbraw/zinc/68/94/30/677689430.db2.gz TUTSGXSXCDEASC-CYBMUJFWSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccnnc2)C1 ZINC001058938395 677689476 /nfs/dbraw/zinc/68/94/76/677689476.db2.gz TUTSGXSXCDEASC-ZDUSSCGKSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCCO1 ZINC001083324747 677689518 /nfs/dbraw/zinc/68/95/18/677689518.db2.gz KJHCSAZUWDSITP-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCCO1 ZINC001083324747 677689519 /nfs/dbraw/zinc/68/95/19/677689519.db2.gz KJHCSAZUWDSITP-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083325131 677689543 /nfs/dbraw/zinc/68/95/43/677689543.db2.gz VQCJNLVIWYYYQK-WCQGTBRESA-N 1 1 308.338 -1.006 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001083329200 677690009 /nfs/dbraw/zinc/69/00/09/677690009.db2.gz YSXDEDLTQQYXBP-XQQFMLRXSA-N 1 1 324.385 -1.206 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643576 677690069 /nfs/dbraw/zinc/69/00/69/677690069.db2.gz CZJBBJYYNLEXAZ-MJBXVCDLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643576 677690070 /nfs/dbraw/zinc/69/00/70/677690070.db2.gz CZJBBJYYNLEXAZ-MJBXVCDLSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083329705 677690164 /nfs/dbraw/zinc/69/01/64/677690164.db2.gz RYXPJINSGYBWKA-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083329849 677690203 /nfs/dbraw/zinc/69/02/03/677690203.db2.gz XCBPZOWWMBXIEA-TUAOUCFPSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083329828 677690206 /nfs/dbraw/zinc/69/02/06/677690206.db2.gz WORSDQHGBPVOPE-MNOVXSKESA-N 1 1 323.382 -1.466 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083329828 677690207 /nfs/dbraw/zinc/69/02/07/677690207.db2.gz WORSDQHGBPVOPE-MNOVXSKESA-N 1 1 323.382 -1.466 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001028518488 677690226 /nfs/dbraw/zinc/69/02/26/677690226.db2.gz CAXNHTDPENKMNA-ONGXEEELSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001028518488 677690227 /nfs/dbraw/zinc/69/02/27/677690227.db2.gz CAXNHTDPENKMNA-ONGXEEELSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001028518054 677690257 /nfs/dbraw/zinc/69/02/57/677690257.db2.gz NRHGIVRUZUDVQZ-KOLCDFICSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001028518056 677690260 /nfs/dbraw/zinc/69/02/60/677690260.db2.gz NRHGIVRUZUDVQZ-ONGXEEELSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083329850 677690263 /nfs/dbraw/zinc/69/02/63/677690263.db2.gz XCBPZOWWMBXIEA-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028522757 677690367 /nfs/dbraw/zinc/69/03/67/677690367.db2.gz ZYCZTORKRZSWEQ-ZJUUUORDSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001028519906 677690389 /nfs/dbraw/zinc/69/03/89/677690389.db2.gz VZAKLTOWJXQOBB-ONGXEEELSA-N 1 1 310.354 -1.189 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)cn1 ZINC001083331997 677690679 /nfs/dbraw/zinc/69/06/79/677690679.db2.gz ICRSSUAQXZLHCN-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)cn1 ZINC001083331997 677690680 /nfs/dbraw/zinc/69/06/80/677690680.db2.gz ICRSSUAQXZLHCN-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cnn1C ZINC001083340257 677690775 /nfs/dbraw/zinc/69/07/75/677690775.db2.gz YKCGBTZFQGDHSI-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cnn1C ZINC001083340257 677690776 /nfs/dbraw/zinc/69/07/76/677690776.db2.gz YKCGBTZFQGDHSI-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083344646 677690927 /nfs/dbraw/zinc/69/09/27/677690927.db2.gz ADFPOGLAGNORMS-XQQFMLRXSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083344646 677690928 /nfs/dbraw/zinc/69/09/28/677690928.db2.gz ADFPOGLAGNORMS-XQQFMLRXSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083345297 677690942 /nfs/dbraw/zinc/69/09/42/677690942.db2.gz CMZNWRCLFFGKBS-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083344638 677690986 /nfs/dbraw/zinc/69/09/86/677690986.db2.gz ZXORBRMKPNPKAM-YPMHNXCESA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083344638 677690987 /nfs/dbraw/zinc/69/09/87/677690987.db2.gz ZXORBRMKPNPKAM-YPMHNXCESA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3COCCO3)[C@@H](O)C2)cn1 ZINC001083347914 677691081 /nfs/dbraw/zinc/69/10/81/677691081.db2.gz QNXWFTXSUYDKPL-RDBSUJKOSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3COCCO3)[C@@H](O)C2)cn1 ZINC001083347914 677691082 /nfs/dbraw/zinc/69/10/82/677691082.db2.gz QNXWFTXSUYDKPL-RDBSUJKOSA-N 1 1 324.381 -1.461 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083349537 677691144 /nfs/dbraw/zinc/69/11/44/677691144.db2.gz FZNULGLCGRZDLU-RDBSUJKOSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083349397 677691278 /nfs/dbraw/zinc/69/12/78/677691278.db2.gz ZUBXOHIPWILCNE-MNOVXSKESA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083349397 677691279 /nfs/dbraw/zinc/69/12/79/677691279.db2.gz ZUBXOHIPWILCNE-MNOVXSKESA-N 1 1 308.342 -1.790 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083365622 677691799 /nfs/dbraw/zinc/69/17/99/677691799.db2.gz VQVRBPSGRVGBKB-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083365622 677691800 /nfs/dbraw/zinc/69/18/00/677691800.db2.gz VQVRBPSGRVGBKB-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368200 677691929 /nfs/dbraw/zinc/69/19/29/677691929.db2.gz GBUAODAYTLFTGJ-WOPDTQHZSA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368833 677691976 /nfs/dbraw/zinc/69/19/76/677691976.db2.gz YIZKSLQJWQCMMM-AGIUHOORSA-N 1 1 308.386 -1.429 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)nnn1C ZINC001083381997 677692750 /nfs/dbraw/zinc/69/27/50/677692750.db2.gz LYLZDQAMAZRDOR-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083382234 677692768 /nfs/dbraw/zinc/69/27/68/677692768.db2.gz WFGNADGWCQJOFO-NEPJUHHUSA-N 1 1 322.369 -1.861 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083382234 677692770 /nfs/dbraw/zinc/69/27/70/677692770.db2.gz WFGNADGWCQJOFO-NEPJUHHUSA-N 1 1 322.369 -1.861 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)C1 ZINC001083385113 677692866 /nfs/dbraw/zinc/69/28/66/677692866.db2.gz DSVGNQPDJMWWRV-AGIUHOORSA-N 1 1 321.381 -1.532 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)C1 ZINC001083385113 677692868 /nfs/dbraw/zinc/69/28/68/677692868.db2.gz DSVGNQPDJMWWRV-AGIUHOORSA-N 1 1 321.381 -1.532 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692897 /nfs/dbraw/zinc/69/28/97/677692897.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385666 677692899 /nfs/dbraw/zinc/69/28/99/677692899.db2.gz VCQASSVKALMIFV-RDBSUJKOSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693029 /nfs/dbraw/zinc/69/30/29/677693029.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083385665 677693031 /nfs/dbraw/zinc/69/30/31/677693031.db2.gz VCQASSVKALMIFV-HZSPNIEDSA-N 1 1 323.397 -1.625 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)co1 ZINC001083385623 677693122 /nfs/dbraw/zinc/69/31/22/677693122.db2.gz UBYOBLALOBDTPW-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)co1 ZINC001083385623 677693123 /nfs/dbraw/zinc/69/31/23/677693123.db2.gz UBYOBLALOBDTPW-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385791 677693126 /nfs/dbraw/zinc/69/31/26/677693126.db2.gz ZHHDWGWQBHDJDH-OUAUKWLOSA-N 1 1 300.359 -2.776 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385791 677693127 /nfs/dbraw/zinc/69/31/27/677693127.db2.gz ZHHDWGWQBHDJDH-OUAUKWLOSA-N 1 1 300.359 -2.776 20 0 DAADMO Cc1conc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385047 677693155 /nfs/dbraw/zinc/69/31/55/677693155.db2.gz CIGHJBNVFWQRIG-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1conc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385047 677693156 /nfs/dbraw/zinc/69/31/56/677693156.db2.gz CIGHJBNVFWQRIG-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001028733078 677693913 /nfs/dbraw/zinc/69/39/13/677693913.db2.gz CORGSUFKFDFZKI-SNVBAGLBSA-N 1 1 310.354 -1.080 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001028735787 677693976 /nfs/dbraw/zinc/69/39/76/677693976.db2.gz RMXHRUHSSJPJJY-JQWIXIFHSA-N 1 1 308.382 -1.161 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001028735853 677694010 /nfs/dbraw/zinc/69/40/10/677694010.db2.gz SGJQRBNVYVJVDL-ZYHUDNBSSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001028735853 677694012 /nfs/dbraw/zinc/69/40/12/677694012.db2.gz SGJQRBNVYVJVDL-ZYHUDNBSSA-N 1 1 306.370 -1.111 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075708413 677694205 /nfs/dbraw/zinc/69/42/05/677694205.db2.gz FLGKNVHPFJVSJN-BFHYXJOUSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001075707348 677694323 /nfs/dbraw/zinc/69/43/23/677694323.db2.gz VFCHZGLLYVAHJL-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001075707348 677694324 /nfs/dbraw/zinc/69/43/24/677694324.db2.gz VFCHZGLLYVAHJL-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001075732474 677694494 /nfs/dbraw/zinc/69/44/94/677694494.db2.gz RZONYGHALKUHSR-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001075732474 677694495 /nfs/dbraw/zinc/69/44/95/677694495.db2.gz RZONYGHALKUHSR-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083404042 677694939 /nfs/dbraw/zinc/69/49/39/677694939.db2.gz WKCDQBXIACBWEO-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083404042 677694941 /nfs/dbraw/zinc/69/49/41/677694941.db2.gz WKCDQBXIACBWEO-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC001075758606 677695032 /nfs/dbraw/zinc/69/50/32/677695032.db2.gz FSEIJZQOBMQFNL-MVWJERBFSA-N 1 1 304.354 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001075776920 677695831 /nfs/dbraw/zinc/69/58/31/677695831.db2.gz NKWJSQHDHLIBNH-WDEREUQCSA-N 1 1 306.370 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001075776920 677695833 /nfs/dbraw/zinc/69/58/33/677695833.db2.gz NKWJSQHDHLIBNH-WDEREUQCSA-N 1 1 306.370 -1.066 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)ncn1 ZINC001083411804 677696073 /nfs/dbraw/zinc/69/60/73/677696073.db2.gz GZFFMGCNEPUVMO-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)ncn1 ZINC001083411804 677696075 /nfs/dbraw/zinc/69/60/75/677696075.db2.gz GZFFMGCNEPUVMO-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075798798 677696446 /nfs/dbraw/zinc/69/64/46/677696446.db2.gz OPTMLVGLDGJMTB-GRYCIOLGSA-N 1 1 321.385 -1.318 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1)N1CCC1 ZINC001075796870 677696450 /nfs/dbraw/zinc/69/64/50/677696450.db2.gz HCPDYHLILVJZKI-NWDGAFQWSA-N 1 1 319.369 -1.562 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1)N1CCC1 ZINC001075796870 677696451 /nfs/dbraw/zinc/69/64/51/677696451.db2.gz HCPDYHLILVJZKI-NWDGAFQWSA-N 1 1 319.369 -1.562 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415571 677696469 /nfs/dbraw/zinc/69/64/69/677696469.db2.gz SFKDIXWJHGNLJG-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001075798835 677696479 /nfs/dbraw/zinc/69/64/79/677696479.db2.gz QCUJALRKMIMKPS-QJPTWQEYSA-N 1 1 319.369 -1.564 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075798796 677696505 /nfs/dbraw/zinc/69/65/05/677696505.db2.gz ONGWHMAPMCCAFA-HBNTYKKESA-N 1 1 307.358 -1.530 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075797250 677696578 /nfs/dbraw/zinc/69/65/78/677696578.db2.gz ZQFSRCHSGKNWPJ-HBNTYKKESA-N 1 1 305.342 -1.906 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075798799 677696585 /nfs/dbraw/zinc/69/65/85/677696585.db2.gz OPTMLVGLDGJMTB-SDDRHHMPSA-N 1 1 321.385 -1.318 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)n1 ZINC001075813635 677697438 /nfs/dbraw/zinc/69/74/38/677697438.db2.gz QUNRYYFJAZSVFQ-WDEREUQCSA-N 1 1 322.369 -1.708 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418842 677699150 /nfs/dbraw/zinc/69/91/50/677699150.db2.gz CLCALTJUGJARMZ-BBBLOLIVSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418842 677699152 /nfs/dbraw/zinc/69/91/52/677699152.db2.gz CLCALTJUGJARMZ-BBBLOLIVSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)OC ZINC001083418829 677699273 /nfs/dbraw/zinc/69/92/73/677699273.db2.gz BWGLHUWCARLPAT-MXWKQRLJSA-N 1 1 313.358 -1.430 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396476 677699387 /nfs/dbraw/zinc/69/93/87/677699387.db2.gz BMNCRVYPEIUMSU-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396476 677699389 /nfs/dbraw/zinc/69/93/89/677699389.db2.gz BMNCRVYPEIUMSU-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC001083421202 677699916 /nfs/dbraw/zinc/69/99/16/677699916.db2.gz NRQFZAPEGQORPU-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC001083421202 677699920 /nfs/dbraw/zinc/69/99/20/677699920.db2.gz NRQFZAPEGQORPU-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)c1N ZINC001083420762 677699997 /nfs/dbraw/zinc/69/99/97/677699997.db2.gz UITJHZJDYDCKMY-MNOVXSKESA-N 1 1 320.357 -1.931 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1N ZINC001083420762 677700001 /nfs/dbraw/zinc/70/00/01/677700001.db2.gz UITJHZJDYDCKMY-MNOVXSKESA-N 1 1 320.357 -1.931 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835070 677700298 /nfs/dbraw/zinc/70/02/98/677700298.db2.gz XIXJNBPDYGTLOI-GRYCIOLGSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835070 677700300 /nfs/dbraw/zinc/70/03/00/677700300.db2.gz XIXJNBPDYGTLOI-GRYCIOLGSA-N 1 1 306.370 -1.055 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075836573 677700577 /nfs/dbraw/zinc/70/05/77/677700577.db2.gz UQASYGVFOXTEDL-SDDRHHMPSA-N 1 1 304.354 -1.301 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001029681473 677702492 /nfs/dbraw/zinc/70/24/92/677702492.db2.gz KFXQEBVOXXHBKR-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075854172 677702540 /nfs/dbraw/zinc/70/25/40/677702540.db2.gz SUIAQMBSLBTFJK-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075854172 677702543 /nfs/dbraw/zinc/70/25/43/677702543.db2.gz SUIAQMBSLBTFJK-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001029681474 677702693 /nfs/dbraw/zinc/70/26/93/677702693.db2.gz KFXQEBVOXXHBKR-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001075853285 677702803 /nfs/dbraw/zinc/70/28/03/677702803.db2.gz FOTKWDKWHMPLGI-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001075853285 677702805 /nfs/dbraw/zinc/70/28/05/677702805.db2.gz FOTKWDKWHMPLGI-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681274 677702817 /nfs/dbraw/zinc/70/28/17/677702817.db2.gz IHBYJEGNPCWTOG-NXEZZACHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681274 677702819 /nfs/dbraw/zinc/70/28/19/677702819.db2.gz IHBYJEGNPCWTOG-NXEZZACHSA-N 1 1 309.374 -1.073 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001075873857 677704070 /nfs/dbraw/zinc/70/40/70/677704070.db2.gz CZNRCMPRPFHCRK-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001075873857 677704073 /nfs/dbraw/zinc/70/40/73/677704073.db2.gz CZNRCMPRPFHCRK-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cc1nnc[nH]1 ZINC000987317487 677707162 /nfs/dbraw/zinc/70/71/62/677707162.db2.gz HKBCSIXVBXEYIM-RKDXNWHRSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987329368 677707204 /nfs/dbraw/zinc/70/72/04/677707204.db2.gz NAVCYTRAHLCCFT-QWRGUYRKSA-N 1 1 321.385 -1.049 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075895865 677708498 /nfs/dbraw/zinc/70/84/98/677708498.db2.gz ATMQIHDLVOHMNW-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075896073 677708990 /nfs/dbraw/zinc/70/89/90/677708990.db2.gz GVVTYFZDCFFHTA-GARJFASQSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1nnn(C)n1 ZINC000988092273 677709149 /nfs/dbraw/zinc/70/91/49/677709149.db2.gz QTDXAQWLIYSYEQ-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cncn1 ZINC000988140466 677709160 /nfs/dbraw/zinc/70/91/60/677709160.db2.gz DOUWMSFSMFNZGM-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083430765 677710813 /nfs/dbraw/zinc/71/08/13/677710813.db2.gz OLOGRSXMTVASSX-OLZOCXBDSA-N 1 1 322.369 -2.082 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083430765 677710815 /nfs/dbraw/zinc/71/08/15/677710815.db2.gz OLOGRSXMTVASSX-OLZOCXBDSA-N 1 1 322.369 -2.082 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040205047 677711366 /nfs/dbraw/zinc/71/13/66/677711366.db2.gz NFQDPASTFNGNTF-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)CC(N)=O ZINC000988431408 677712296 /nfs/dbraw/zinc/71/22/96/677712296.db2.gz KNNSAETZAVHWEN-VHSXEESVSA-N 1 1 322.369 -1.237 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437248 677712648 /nfs/dbraw/zinc/71/26/48/677712648.db2.gz IWGVEURMDKLNRN-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001083437248 677712650 /nfs/dbraw/zinc/71/26/50/677712650.db2.gz IWGVEURMDKLNRN-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001083437406 677712656 /nfs/dbraw/zinc/71/26/56/677712656.db2.gz POEUAJLVFQQLES-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001083437406 677712658 /nfs/dbraw/zinc/71/26/58/677712658.db2.gz POEUAJLVFQQLES-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439693 677713889 /nfs/dbraw/zinc/71/38/89/677713889.db2.gz LOJRMXHJJKXZEF-WOPDTQHZSA-N 1 1 323.353 -1.768 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439537 677713918 /nfs/dbraw/zinc/71/39/18/677713918.db2.gz HEISKGROHZWOFF-UTUOFQBUSA-N 1 1 313.354 -1.317 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001083442750 677714780 /nfs/dbraw/zinc/71/47/80/677714780.db2.gz FBJGYIWIBDBOKN-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001083442750 677714782 /nfs/dbraw/zinc/71/47/82/677714782.db2.gz FBJGYIWIBDBOKN-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083443740 677715484 /nfs/dbraw/zinc/71/54/84/677715484.db2.gz WROSSPQEIUKVRW-KOLCDFICSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083443740 677715487 /nfs/dbraw/zinc/71/54/87/677715487.db2.gz WROSSPQEIUKVRW-KOLCDFICSA-N 1 1 306.330 -2.118 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083454563 677717681 /nfs/dbraw/zinc/71/76/81/677717681.db2.gz JDWPHNIWSDWFAT-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083454563 677717684 /nfs/dbraw/zinc/71/76/84/677717684.db2.gz JDWPHNIWSDWFAT-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083453295 677717915 /nfs/dbraw/zinc/71/79/15/677717915.db2.gz YZBJBSOICRRTCC-UTUOFQBUSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)n[nH]1 ZINC001083453295 677717917 /nfs/dbraw/zinc/71/79/17/677717917.db2.gz YZBJBSOICRRTCC-UTUOFQBUSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)n[nH]1 ZINC001083453295 677717919 /nfs/dbraw/zinc/71/79/19/677717919.db2.gz YZBJBSOICRRTCC-UTUOFQBUSA-N 1 1 309.370 -1.147 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001083459830 677718182 /nfs/dbraw/zinc/71/81/82/677718182.db2.gz CCMSVIHKBUHBSD-JLLWLGSASA-N 1 1 309.370 -1.302 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c1=O ZINC001083457952 677718197 /nfs/dbraw/zinc/71/81/97/677718197.db2.gz OFJYMTOXHPJJND-UPJWGTAASA-N 1 1 309.366 -1.301 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c1=O ZINC001083457953 677718414 /nfs/dbraw/zinc/71/84/14/677718414.db2.gz OFJYMTOXHPJJND-XQQFMLRXSA-N 1 1 309.366 -1.301 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](O)C1 ZINC001083459278 677718606 /nfs/dbraw/zinc/71/86/06/677718606.db2.gz DFJCZIAKJZWDFH-JLLWLGSASA-N 1 1 307.354 -1.056 20 0 DAADMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1 ZINC001083463963 677720509 /nfs/dbraw/zinc/72/05/09/677720509.db2.gz JEZTXSIKQAAIDA-UTUOFQBUSA-N 1 1 324.385 -1.351 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC001075969279 677723113 /nfs/dbraw/zinc/72/31/13/677723113.db2.gz WHBNVTSGWKOZDK-NWDGAFQWSA-N 1 1 309.370 -1.503 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985736 677723673 /nfs/dbraw/zinc/72/36/73/677723673.db2.gz OPWKRTZORGSOQS-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985736 677723676 /nfs/dbraw/zinc/72/36/76/677723676.db2.gz OPWKRTZORGSOQS-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473634 677724119 /nfs/dbraw/zinc/72/41/19/677724119.db2.gz MISZZEWHFGYLHJ-MNOVXSKESA-N 1 1 324.385 -1.416 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083482516 677725394 /nfs/dbraw/zinc/72/53/94/677725394.db2.gz IBOUWANUBMQKAV-NEPJUHHUSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083482516 677725396 /nfs/dbraw/zinc/72/53/96/677725396.db2.gz IBOUWANUBMQKAV-NEPJUHHUSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083492702 677726327 /nfs/dbraw/zinc/72/63/27/677726327.db2.gz OVANLMBGQKQCCW-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1=O ZINC001083492811 677726505 /nfs/dbraw/zinc/72/65/05/677726505.db2.gz UXPQKDHFNBZDAR-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1=O ZINC001083492811 677726508 /nfs/dbraw/zinc/72/65/08/677726508.db2.gz UXPQKDHFNBZDAR-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083492701 677726608 /nfs/dbraw/zinc/72/66/08/677726608.db2.gz OVANLMBGQKQCCW-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)C1 ZINC001075998999 677727560 /nfs/dbraw/zinc/72/75/60/677727560.db2.gz QVIGLGKNZREBIJ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)C1 ZINC001075998999 677727562 /nfs/dbraw/zinc/72/75/62/677727562.db2.gz QVIGLGKNZREBIJ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504705 677728487 /nfs/dbraw/zinc/72/84/87/677728487.db2.gz MCLYKDBDKSODEP-TUAOUCFPSA-N 1 1 313.398 -1.213 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083505881 677728719 /nfs/dbraw/zinc/72/87/19/677728719.db2.gz GULFFBLONSRPLG-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001083505406 677728787 /nfs/dbraw/zinc/72/87/87/677728787.db2.gz MVTMHEKXPBOILL-ZJUUUORDSA-N 1 1 312.326 -3.299 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cn(-c2cccnc2)nn1 ZINC001083510039 677729341 /nfs/dbraw/zinc/72/93/41/677729341.db2.gz KQTXSALJBRBQMB-YPMHNXCESA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn(-c2cccnc2)nn1 ZINC001083510039 677729345 /nfs/dbraw/zinc/72/93/45/677729345.db2.gz KQTXSALJBRBQMB-YPMHNXCESA-N 1 1 318.337 -1.571 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523375 677730732 /nfs/dbraw/zinc/73/07/32/677730732.db2.gz AVNMZCCNKPSDAS-VWYCJHECSA-N 1 1 307.354 -1.593 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001083529631 677730977 /nfs/dbraw/zinc/73/09/77/677730977.db2.gz YCZMXJUACPUEJP-XROYCOCOSA-N 1 1 306.326 -1.491 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083522254 677731119 /nfs/dbraw/zinc/73/11/19/677731119.db2.gz ZPZRDISQOIWASO-XQQFMLRXSA-N 1 1 312.414 -1.389 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001040340716 677731435 /nfs/dbraw/zinc/73/14/35/677731435.db2.gz LGQMMNZJYGOZGO-AWEZNQCLSA-N 1 1 321.385 -1.116 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001040340716 677731440 /nfs/dbraw/zinc/73/14/40/677731440.db2.gz LGQMMNZJYGOZGO-AWEZNQCLSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083530044 677731452 /nfs/dbraw/zinc/73/14/52/677731452.db2.gz UZGXWDDXVMSJQT-MNOVXSKESA-N 1 1 303.334 -1.634 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530645 677731586 /nfs/dbraw/zinc/73/15/86/677731586.db2.gz YHJLXPUARCBXGX-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534208 677731680 /nfs/dbraw/zinc/73/16/80/677731680.db2.gz IAOOKARTKNLNTE-AXFHLTTASA-N 1 1 310.354 -1.288 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083530015 677731692 /nfs/dbraw/zinc/73/16/92/677731692.db2.gz TWRDJLRPYYZGCN-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534269 677731745 /nfs/dbraw/zinc/73/17/45/677731745.db2.gz LEDPJJQBJBZVRI-AXFHLTTASA-N 1 1 312.370 -1.208 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cc1=O ZINC001083537254 677732124 /nfs/dbraw/zinc/73/21/24/677732124.db2.gz LHULSZXYWDOAJX-RTXFEEFZSA-N 1 1 322.365 -1.408 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cc1=O ZINC001083537255 677732131 /nfs/dbraw/zinc/73/21/31/677732131.db2.gz LHULSZXYWDOAJX-UHTWSYAYSA-N 1 1 322.365 -1.408 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537522 677732252 /nfs/dbraw/zinc/73/22/52/677732252.db2.gz ABZRQNRXBYVXFO-WCQGTBRESA-N 1 1 310.354 -1.410 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537091 677732346 /nfs/dbraw/zinc/73/23/46/677732346.db2.gz AULMUOVNGGNWGF-JLLWLGSASA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CC(N)=O ZINC001076027367 677732391 /nfs/dbraw/zinc/73/23/91/677732391.db2.gz NDNUHLLUGOHMGL-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CC(N)=O ZINC001076027367 677732394 /nfs/dbraw/zinc/73/23/94/677732394.db2.gz NDNUHLLUGOHMGL-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CC(N)=O ZINC001076027368 677732703 /nfs/dbraw/zinc/73/27/03/677732703.db2.gz NDNUHLLUGOHMGL-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CC(N)=O ZINC001076027368 677732708 /nfs/dbraw/zinc/73/27/08/677732708.db2.gz NDNUHLLUGOHMGL-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541285 677733129 /nfs/dbraw/zinc/73/31/29/677733129.db2.gz YBZCGOTWPFGHFS-UMNHJUIQSA-N 1 1 310.354 -1.431 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128341 677734108 /nfs/dbraw/zinc/73/41/08/677734108.db2.gz RKNLWHOYENPXDH-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128380 677734407 /nfs/dbraw/zinc/73/44/07/677734407.db2.gz UJKXAROPFBRMFO-FRRDWIJNSA-N 1 1 310.398 -1.668 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133049 677734862 /nfs/dbraw/zinc/73/48/62/677734862.db2.gz IGIFWRZALHHYPS-GARJFASQSA-N 1 1 309.370 -1.711 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133049 677734865 /nfs/dbraw/zinc/73/48/65/677734865.db2.gz IGIFWRZALHHYPS-GARJFASQSA-N 1 1 309.370 -1.711 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141873 677734963 /nfs/dbraw/zinc/73/49/63/677734963.db2.gz IJFABOVVJUZYNS-GARJFASQSA-N 1 1 321.385 -1.167 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141873 677734967 /nfs/dbraw/zinc/73/49/67/677734967.db2.gz IJFABOVVJUZYNS-GARJFASQSA-N 1 1 321.385 -1.167 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC001076138269 677734998 /nfs/dbraw/zinc/73/49/98/677734998.db2.gz SKXFXXFOPLPPLN-LPEHRKFASA-N 1 1 305.342 -1.755 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001076199237 677735413 /nfs/dbraw/zinc/73/54/13/677735413.db2.gz AMEKIXLDEZLIJY-DTWKUNHWSA-N 1 1 309.326 -2.444 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187753 677735491 /nfs/dbraw/zinc/73/54/91/677735491.db2.gz LFTHXNMXGOFFOF-WCABBAIRSA-N 1 1 305.338 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187753 677735492 /nfs/dbraw/zinc/73/54/92/677735492.db2.gz LFTHXNMXGOFFOF-WCABBAIRSA-N 1 1 305.338 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076236962 677737145 /nfs/dbraw/zinc/73/71/45/677737145.db2.gz LOHZWQGYEGHFBT-WHOHXGKFSA-N 1 1 324.381 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076236962 677737148 /nfs/dbraw/zinc/73/71/48/677737148.db2.gz LOHZWQGYEGHFBT-WHOHXGKFSA-N 1 1 324.381 -1.702 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001083545436 677738242 /nfs/dbraw/zinc/73/82/42/677738242.db2.gz PXJOWETWCKXBSR-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001083545436 677738244 /nfs/dbraw/zinc/73/82/44/677738244.db2.gz PXJOWETWCKXBSR-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 ZINC001076319538 677738881 /nfs/dbraw/zinc/73/88/81/677738881.db2.gz XCVZAOYYXFXXQZ-VHSXEESVSA-N 1 1 308.338 -1.040 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076356031 677739694 /nfs/dbraw/zinc/73/96/94/677739694.db2.gz QOVXXLZKYVLZTH-GXSJLCMTSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076356031 677739698 /nfs/dbraw/zinc/73/96/98/677739698.db2.gz QOVXXLZKYVLZTH-GXSJLCMTSA-N 1 1 322.365 -1.682 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369294 677740240 /nfs/dbraw/zinc/74/02/40/677740240.db2.gz QAHPQQVWJLWXMG-DTWKUNHWSA-N 1 1 309.326 -2.444 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369294 677740242 /nfs/dbraw/zinc/74/02/42/677740242.db2.gz QAHPQQVWJLWXMG-DTWKUNHWSA-N 1 1 309.326 -2.444 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546984 677741130 /nfs/dbraw/zinc/74/11/30/677741130.db2.gz OLVPMSFVTQEPAC-JLLWLGSASA-N 1 1 308.338 -1.006 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395696 677741811 /nfs/dbraw/zinc/74/18/11/677741811.db2.gz JAWTWJRGLOIXDM-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395696 677741813 /nfs/dbraw/zinc/74/18/13/677741813.db2.gz JAWTWJRGLOIXDM-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395598 677741976 /nfs/dbraw/zinc/74/19/76/677741976.db2.gz DHHICXLMKRRIPK-SDDRHHMPSA-N 1 1 321.385 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395597 677742157 /nfs/dbraw/zinc/74/21/57/677742157.db2.gz DHHICXLMKRRIPK-QJPTWQEYSA-N 1 1 321.385 -1.140 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437574 677742168 /nfs/dbraw/zinc/74/21/68/677742168.db2.gz MAPLNNADAUZYQA-SDDRHHMPSA-N 1 1 324.381 -1.158 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083548383 677742858 /nfs/dbraw/zinc/74/28/58/677742858.db2.gz IKNPUGHYRRKDER-ZJUUUORDSA-N 1 1 321.341 -1.510 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083548383 677742861 /nfs/dbraw/zinc/74/28/61/677742861.db2.gz IKNPUGHYRRKDER-ZJUUUORDSA-N 1 1 321.341 -1.510 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076460138 677742887 /nfs/dbraw/zinc/74/28/87/677742887.db2.gz YAUJPWPTSJDGJP-GXSJLCMTSA-N 1 1 318.337 -1.444 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccn(CC(F)F)n1 ZINC001083549409 677743448 /nfs/dbraw/zinc/74/34/48/677743448.db2.gz HMWIJGDHOPLKQB-ZJUUUORDSA-N 1 1 304.297 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccn(CC(F)F)n1 ZINC001083549409 677743452 /nfs/dbraw/zinc/74/34/52/677743452.db2.gz HMWIJGDHOPLKQB-ZJUUUORDSA-N 1 1 304.297 -1.085 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541958 677743792 /nfs/dbraw/zinc/74/37/92/677743792.db2.gz ZVAZPPAUUPJUAO-GRYCIOLGSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541958 677743794 /nfs/dbraw/zinc/74/37/94/677743794.db2.gz ZVAZPPAUUPJUAO-GRYCIOLGSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076543865 677743855 /nfs/dbraw/zinc/74/38/55/677743855.db2.gz CWSDZWCHDIOYQH-VHSXEESVSA-N 1 1 323.353 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076543865 677743859 /nfs/dbraw/zinc/74/38/59/677743859.db2.gz CWSDZWCHDIOYQH-VHSXEESVSA-N 1 1 323.353 -2.183 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549939 677744327 /nfs/dbraw/zinc/74/43/27/677744327.db2.gz HWILPQJCCWOXMG-VHSXEESVSA-N 1 1 308.338 -1.847 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549939 677744330 /nfs/dbraw/zinc/74/43/30/677744330.db2.gz HWILPQJCCWOXMG-VHSXEESVSA-N 1 1 308.338 -1.847 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076548692 677744344 /nfs/dbraw/zinc/74/43/44/677744344.db2.gz DMECFJBIOFXAMD-HBNTYKKESA-N 1 1 310.354 -1.500 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)CNC(N)=O ZINC001076599698 677744521 /nfs/dbraw/zinc/74/45/21/677744521.db2.gz BRYFQIHGAJJCDE-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083550767 677744622 /nfs/dbraw/zinc/74/46/22/677744622.db2.gz ZTBOXCTWIHRSCV-TUUUFIMRSA-N 1 1 309.370 -1.136 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083550767 677744627 /nfs/dbraw/zinc/74/46/27/677744627.db2.gz ZTBOXCTWIHRSCV-TUUUFIMRSA-N 1 1 309.370 -1.136 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)C1 ZINC001076594122 677744769 /nfs/dbraw/zinc/74/47/69/677744769.db2.gz HQHAULCIJSKMMY-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)C1 ZINC001076594122 677744771 /nfs/dbraw/zinc/74/47/71/677744771.db2.gz HQHAULCIJSKMMY-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)C1 ZINC001076594121 677744849 /nfs/dbraw/zinc/74/48/49/677744849.db2.gz HQHAULCIJSKMMY-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NC)C[C@H]32)C1 ZINC001076594121 677744851 /nfs/dbraw/zinc/74/48/51/677744851.db2.gz HQHAULCIJSKMMY-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001076585190 677744903 /nfs/dbraw/zinc/74/49/03/677744903.db2.gz FVZQBLQTXQXCHM-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076582410 677744941 /nfs/dbraw/zinc/74/49/41/677744941.db2.gz VSCIENLZDWQUJN-GARJFASQSA-N 1 1 303.384 -1.797 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001076599862 677744980 /nfs/dbraw/zinc/74/49/80/677744980.db2.gz ISTKNYBASQWHLQ-GXSJLCMTSA-N 1 1 322.369 -1.116 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)nn1 ZINC001076607712 677745567 /nfs/dbraw/zinc/74/55/67/677745567.db2.gz ZXCOZYIACORSLA-CMPLNLGQSA-N 1 1 322.369 -1.708 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n(C)c1=O ZINC001076614787 677746210 /nfs/dbraw/zinc/74/62/10/677746210.db2.gz CIGBNOVAQCSAQF-VHSXEESVSA-N 1 1 307.354 -1.645 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n(C)c1=O ZINC001076614787 677746211 /nfs/dbraw/zinc/74/62/11/677746211.db2.gz CIGBNOVAQCSAQF-VHSXEESVSA-N 1 1 307.354 -1.645 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645187 677746591 /nfs/dbraw/zinc/74/65/91/677746591.db2.gz CZPWQNSDQQATLU-GARJFASQSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645187 677746592 /nfs/dbraw/zinc/74/65/92/677746592.db2.gz CZPWQNSDQQATLU-GARJFASQSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C(F)F ZINC001076662451 677748194 /nfs/dbraw/zinc/74/81/94/677748194.db2.gz IEJIFEDFOUYFDU-OPRDCNLKSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C(F)F ZINC001076662451 677748196 /nfs/dbraw/zinc/74/81/96/677748196.db2.gz IEJIFEDFOUYFDU-OPRDCNLKSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001076660711 677748240 /nfs/dbraw/zinc/74/82/40/677748240.db2.gz DBGLQOJCCLCGKU-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001076656729 677748366 /nfs/dbraw/zinc/74/83/66/677748366.db2.gz FNZWIDCMLLWMKA-IJLUTSLNSA-N 1 1 305.400 -1.551 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccccn1 ZINC001076679195 677748575 /nfs/dbraw/zinc/74/85/75/677748575.db2.gz KYKDXADTTXFGOK-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccccn1 ZINC001076679195 677748579 /nfs/dbraw/zinc/74/85/79/677748579.db2.gz KYKDXADTTXFGOK-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076694799 677749477 /nfs/dbraw/zinc/74/94/77/677749477.db2.gz ZIIYIEYEUNZORC-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076694799 677749481 /nfs/dbraw/zinc/74/94/81/677749481.db2.gz ZIIYIEYEUNZORC-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076694800 677749526 /nfs/dbraw/zinc/74/95/26/677749526.db2.gz ZIIYIEYEUNZORC-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076694800 677749527 /nfs/dbraw/zinc/74/95/27/677749527.db2.gz ZIIYIEYEUNZORC-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076710372 677750765 /nfs/dbraw/zinc/75/07/65/677750765.db2.gz VCHIPZAZMRONJO-ZIAGYGMSSA-N 1 1 317.349 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076710372 677750766 /nfs/dbraw/zinc/75/07/66/677750766.db2.gz VCHIPZAZMRONJO-ZIAGYGMSSA-N 1 1 317.349 -1.008 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001076723871 677751493 /nfs/dbraw/zinc/75/14/93/677751493.db2.gz CHTQNANRCPTOTB-JHJVBQTASA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001076723844 677751786 /nfs/dbraw/zinc/75/17/86/677751786.db2.gz BHISDVBDXRIXJY-HTQZYQBOSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001076723844 677751789 /nfs/dbraw/zinc/75/17/89/677751789.db2.gz BHISDVBDXRIXJY-HTQZYQBOSA-N 1 1 308.264 -1.213 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001076723913 677751805 /nfs/dbraw/zinc/75/18/05/677751805.db2.gz FKWRZKHVSIAEQL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001076723913 677751808 /nfs/dbraw/zinc/75/18/08/677751808.db2.gz FKWRZKHVSIAEQL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001076724436 677752149 /nfs/dbraw/zinc/75/21/49/677752149.db2.gz VLUNQPYAIMAFKR-NXEZZACHSA-N 1 1 316.312 -1.120 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076746404 677752869 /nfs/dbraw/zinc/75/28/69/677752869.db2.gz AECRZYLAEWQIBT-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076746404 677752873 /nfs/dbraw/zinc/75/28/73/677752873.db2.gz AECRZYLAEWQIBT-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076738673 677753181 /nfs/dbraw/zinc/75/31/81/677753181.db2.gz NWXCHLPDVPJWCC-VXGBXAGGSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076738673 677753183 /nfs/dbraw/zinc/75/31/83/677753183.db2.gz NWXCHLPDVPJWCC-VXGBXAGGSA-N 1 1 320.349 -1.061 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076753066 677754094 /nfs/dbraw/zinc/75/40/94/677754094.db2.gz CMZNWRCLFFGKBS-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083553398 677754294 /nfs/dbraw/zinc/75/42/94/677754294.db2.gz BISDBPDKCHZWCY-LOWVWBTDSA-N 1 1 312.370 -1.315 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076759761 677754848 /nfs/dbraw/zinc/75/48/48/677754848.db2.gz AATKQFHAFXDBJO-UTUOFQBUSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076759761 677754852 /nfs/dbraw/zinc/75/48/52/677754852.db2.gz AATKQFHAFXDBJO-UTUOFQBUSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1ccn[nH]1 ZINC001076765845 677754965 /nfs/dbraw/zinc/75/49/65/677754965.db2.gz SMIDAWFVMCCIMC-MVWJERBFSA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cn[nH]c1 ZINC001076772304 677755366 /nfs/dbraw/zinc/75/53/66/677755366.db2.gz ZHLKVBBMJXCUMU-QJPTWQEYSA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076772250 677755423 /nfs/dbraw/zinc/75/54/23/677755423.db2.gz XGISLVFRHBVKQW-NXEZZACHSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076772250 677755426 /nfs/dbraw/zinc/75/54/26/677755426.db2.gz XGISLVFRHBVKQW-NXEZZACHSA-N 1 1 322.325 -2.264 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076800509 677757831 /nfs/dbraw/zinc/75/78/31/677757831.db2.gz UWTXZHRKRARMEE-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076800509 677757833 /nfs/dbraw/zinc/75/78/33/677757833.db2.gz UWTXZHRKRARMEE-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001076816627 677758840 /nfs/dbraw/zinc/75/88/40/677758840.db2.gz RGRIXHFZBDZSER-GMTAPVOTSA-N 1 1 307.354 -1.130 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076816411 677758998 /nfs/dbraw/zinc/75/89/98/677758998.db2.gz IBGXAKUSYXPHLO-GHMZBOCLSA-N 1 1 317.353 -1.270 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076816411 677759000 /nfs/dbraw/zinc/75/90/00/677759000.db2.gz IBGXAKUSYXPHLO-GHMZBOCLSA-N 1 1 317.353 -1.270 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)[nH]1 ZINC001076813290 677759677 /nfs/dbraw/zinc/75/96/77/677759677.db2.gz ABWJMUBKIAWZJP-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)[nH]1 ZINC001076813290 677759680 /nfs/dbraw/zinc/75/96/80/677759680.db2.gz ABWJMUBKIAWZJP-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810687 677759724 /nfs/dbraw/zinc/75/97/24/677759724.db2.gz NTIHRRQOMFFZLH-IJLUTSLNSA-N 1 1 324.381 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810687 677759726 /nfs/dbraw/zinc/75/97/26/677759726.db2.gz NTIHRRQOMFFZLH-IJLUTSLNSA-N 1 1 324.381 -1.951 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001076812855 677759893 /nfs/dbraw/zinc/75/98/93/677759893.db2.gz WCQHYVNQSQOLQX-OUAUKWLOSA-N 1 1 309.374 -2.034 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)nnn1C ZINC001076833061 677760765 /nfs/dbraw/zinc/76/07/65/677760765.db2.gz LYLZDQAMAZRDOR-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076830520 677761046 /nfs/dbraw/zinc/76/10/46/677761046.db2.gz WFGNADGWCQJOFO-VXGBXAGGSA-N 1 1 322.369 -1.861 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076830520 677761049 /nfs/dbraw/zinc/76/10/49/677761049.db2.gz WFGNADGWCQJOFO-VXGBXAGGSA-N 1 1 322.369 -1.861 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)nnn1C ZINC001076831705 677761199 /nfs/dbraw/zinc/76/11/99/677761199.db2.gz AKUUYMSURXOSOF-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)nnn1C ZINC001076831705 677761201 /nfs/dbraw/zinc/76/12/01/677761201.db2.gz AKUUYMSURXOSOF-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076830013 677761224 /nfs/dbraw/zinc/76/12/24/677761224.db2.gz JQSAWYWPBHQSIV-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076830013 677761226 /nfs/dbraw/zinc/76/12/26/677761226.db2.gz JQSAWYWPBHQSIV-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)C1 ZINC001076835902 677761450 /nfs/dbraw/zinc/76/14/50/677761450.db2.gz PLJNWAYILUJQDY-UPJWGTAASA-N 1 1 310.354 -1.334 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)C1 ZINC001076835902 677761453 /nfs/dbraw/zinc/76/14/53/677761453.db2.gz PLJNWAYILUJQDY-UPJWGTAASA-N 1 1 310.354 -1.334 20 0 DAADMO Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076834147 677761457 /nfs/dbraw/zinc/76/14/57/677761457.db2.gz GFYWYMCPWCHKJG-MCIONIFRSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076834147 677761458 /nfs/dbraw/zinc/76/14/58/677761458.db2.gz GFYWYMCPWCHKJG-MCIONIFRSA-N 1 1 323.397 -1.588 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761475 /nfs/dbraw/zinc/76/14/75/677761475.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838969 677761476 /nfs/dbraw/zinc/76/14/76/677761476.db2.gz VCQASSVKALMIFV-MCIONIFRSA-N 1 1 323.397 -1.625 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)co1 ZINC001076838945 677761570 /nfs/dbraw/zinc/76/15/70/677761570.db2.gz UBYOBLALOBDTPW-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001076838945 677761572 /nfs/dbraw/zinc/76/15/72/677761572.db2.gz UBYOBLALOBDTPW-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076835780 677761642 /nfs/dbraw/zinc/76/16/42/677761642.db2.gz KWAURPOWTRXYJI-UTUOFQBUSA-N 1 1 314.386 -2.434 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076835780 677761643 /nfs/dbraw/zinc/76/16/43/677761643.db2.gz KWAURPOWTRXYJI-UTUOFQBUSA-N 1 1 314.386 -2.434 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076835590 677761657 /nfs/dbraw/zinc/76/16/57/677761657.db2.gz DFEUJPGANAMKOY-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076835590 677761659 /nfs/dbraw/zinc/76/16/59/677761659.db2.gz DFEUJPGANAMKOY-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001076839014 677761723 /nfs/dbraw/zinc/76/17/23/677761723.db2.gz XCMYVPHNSWDCDL-IJLUTSLNSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001076839014 677761727 /nfs/dbraw/zinc/76/17/27/677761727.db2.gz XCMYVPHNSWDCDL-IJLUTSLNSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001076838535 677761731 /nfs/dbraw/zinc/76/17/31/677761731.db2.gz BWXUNGPNBVQBRN-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001076838535 677761732 /nfs/dbraw/zinc/76/17/32/677761732.db2.gz BWXUNGPNBVQBRN-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)C1 ZINC001076834088 677761830 /nfs/dbraw/zinc/76/18/30/677761830.db2.gz DSVGNQPDJMWWRV-UPJWGTAASA-N 1 1 321.381 -1.532 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)C1 ZINC001076834088 677761834 /nfs/dbraw/zinc/76/18/34/677761834.db2.gz DSVGNQPDJMWWRV-UPJWGTAASA-N 1 1 321.381 -1.532 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076884444 677764839 /nfs/dbraw/zinc/76/48/39/677764839.db2.gz UUNGQBSNOGMPEC-JHJVBQTASA-N 1 1 322.365 -1.002 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076900042 677766484 /nfs/dbraw/zinc/76/64/84/677766484.db2.gz UMQZUGFKBMRKFC-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)OC ZINC001076902377 677767134 /nfs/dbraw/zinc/76/71/34/677767134.db2.gz VTYJPCCSZAMKGC-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001076904056 677767173 /nfs/dbraw/zinc/76/71/73/677767173.db2.gz AXLFIVMADWKQDZ-BFHYXJOUSA-N 1 1 313.398 -1.484 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)c1N ZINC001076913318 677768889 /nfs/dbraw/zinc/76/88/89/677768889.db2.gz UITJHZJDYDCKMY-GHMZBOCLSA-N 1 1 320.357 -1.931 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1N ZINC001076913318 677768891 /nfs/dbraw/zinc/76/88/91/677768891.db2.gz UITJHZJDYDCKMY-GHMZBOCLSA-N 1 1 320.357 -1.931 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920654 677769451 /nfs/dbraw/zinc/76/94/51/677769451.db2.gz RXSXGCNETZUGGQ-CHWSQXEVSA-N 1 1 324.381 -1.480 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1=CCOCC1 ZINC001076920654 677769452 /nfs/dbraw/zinc/76/94/52/677769452.db2.gz RXSXGCNETZUGGQ-CHWSQXEVSA-N 1 1 324.381 -1.480 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CCC(O)CC1 ZINC001076941156 677771685 /nfs/dbraw/zinc/77/16/85/677771685.db2.gz PROVVQYHSHHVKJ-NWINJMCUSA-N 1 1 323.397 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CCC(O)CC1 ZINC001076941156 677771687 /nfs/dbraw/zinc/77/16/87/677771687.db2.gz PROVVQYHSHHVKJ-NWINJMCUSA-N 1 1 323.397 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942363 677771726 /nfs/dbraw/zinc/77/17/26/677771726.db2.gz MOFHJGUPBFZUGD-KXUCPTDWSA-N 1 1 310.314 -2.452 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942363 677771728 /nfs/dbraw/zinc/77/17/28/677771728.db2.gz MOFHJGUPBFZUGD-KXUCPTDWSA-N 1 1 310.314 -2.452 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076942166 677771805 /nfs/dbraw/zinc/77/18/05/677771805.db2.gz GCEUPZHHDRYTRS-VXGBXAGGSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076942166 677771809 /nfs/dbraw/zinc/77/18/09/677771809.db2.gz GCEUPZHHDRYTRS-VXGBXAGGSA-N 1 1 319.369 -1.030 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942329 677771855 /nfs/dbraw/zinc/77/18/55/677771855.db2.gz LOJRMXHJJKXZEF-IJLUTSLNSA-N 1 1 323.353 -1.768 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)cn1 ZINC001076948685 677772300 /nfs/dbraw/zinc/77/23/00/677772300.db2.gz POEUAJLVFQQLES-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)cn1 ZINC001076948685 677772303 /nfs/dbraw/zinc/77/23/03/677772303.db2.gz POEUAJLVFQQLES-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076944713 677772307 /nfs/dbraw/zinc/77/23/07/677772307.db2.gz WUCWLGLWXKWNDU-VXGBXAGGSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076944713 677772309 /nfs/dbraw/zinc/77/23/09/677772309.db2.gz WUCWLGLWXKWNDU-VXGBXAGGSA-N 1 1 317.353 -1.148 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076948792 677772387 /nfs/dbraw/zinc/77/23/87/677772387.db2.gz PTJZXAFEPZKION-MWLCHTKSSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076948792 677772390 /nfs/dbraw/zinc/77/23/90/677772390.db2.gz PTJZXAFEPZKION-MWLCHTKSSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076947395 677773036 /nfs/dbraw/zinc/77/30/36/677773036.db2.gz PNVJEAWXSMIMBP-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076947395 677773040 /nfs/dbraw/zinc/77/30/40/677773040.db2.gz PNVJEAWXSMIMBP-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)cn1 ZINC001076960454 677774092 /nfs/dbraw/zinc/77/40/92/677774092.db2.gz FBJGYIWIBDBOKN-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn(C)nn3)C2)cn1 ZINC001076960454 677774096 /nfs/dbraw/zinc/77/40/96/677774096.db2.gz FBJGYIWIBDBOKN-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)cn1 ZINC001076964373 677774746 /nfs/dbraw/zinc/77/47/46/677774746.db2.gz WDYPJWGXDYYSFF-VXGBXAGGSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)cn1 ZINC001076964373 677774750 /nfs/dbraw/zinc/77/47/50/677774750.db2.gz WDYPJWGXDYYSFF-VXGBXAGGSA-N 1 1 319.369 -1.434 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001076978804 677774892 /nfs/dbraw/zinc/77/48/92/677774892.db2.gz YZBJBSOICRRTCC-QJPTWQEYSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001076978804 677774894 /nfs/dbraw/zinc/77/48/94/677774894.db2.gz YZBJBSOICRRTCC-QJPTWQEYSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001076978804 677774899 /nfs/dbraw/zinc/77/48/99/677774899.db2.gz YZBJBSOICRRTCC-QJPTWQEYSA-N 1 1 309.370 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ncc[nH]1 ZINC001076971379 677775368 /nfs/dbraw/zinc/77/53/68/677775368.db2.gz AYQRAIYBKGNUPA-IJLUTSLNSA-N 1 1 320.353 -1.558 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986099 677777211 /nfs/dbraw/zinc/77/72/11/677777211.db2.gz KLSGBKAAIQTBAL-FRRDWIJNSA-N 1 1 312.414 -1.234 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(=O)[nH]c1C ZINC001083559347 677777567 /nfs/dbraw/zinc/77/75/67/677777567.db2.gz HGYCOYOLHDXFLU-XROYCOCOSA-N 1 1 310.354 -1.458 20 0 DAADMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077003173 677778498 /nfs/dbraw/zinc/77/84/98/677778498.db2.gz XEQYWRKBDYWTQF-FIYWTHMPSA-N 1 1 324.385 -1.351 20 0 DAADMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077004008 677779022 /nfs/dbraw/zinc/77/90/22/677779022.db2.gz JEZTXSIKQAAIDA-QJPTWQEYSA-N 1 1 324.385 -1.351 20 0 DAADMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001077004007 677779030 /nfs/dbraw/zinc/77/90/30/677779030.db2.gz JEZTXSIKQAAIDA-IJLUTSLNSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077003915 677779040 /nfs/dbraw/zinc/77/90/40/677779040.db2.gz FERPDVNYLKUMAL-GHMZBOCLSA-N 1 1 323.382 -1.466 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077003915 677779041 /nfs/dbraw/zinc/77/90/41/677779041.db2.gz FERPDVNYLKUMAL-GHMZBOCLSA-N 1 1 323.382 -1.466 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)n1 ZINC001077026865 677779340 /nfs/dbraw/zinc/77/93/40/677779340.db2.gz ODTFBIVZOFHDQT-GHMZBOCLSA-N 1 1 322.369 -1.662 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)n1 ZINC001077026729 677779483 /nfs/dbraw/zinc/77/94/83/677779483.db2.gz HHKNDXOOSVPFKQ-NXEZZACHSA-N 1 1 308.342 -2.052 20 0 DAADMO CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)[nH]n1 ZINC001077027764 677779546 /nfs/dbraw/zinc/77/95/46/677779546.db2.gz PGXLJEIMBZNKIA-HZSPNIEDSA-N 1 1 323.397 -1.056 20 0 DAADMO CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)[nH]n1 ZINC001077027764 677779548 /nfs/dbraw/zinc/77/95/48/677779548.db2.gz PGXLJEIMBZNKIA-HZSPNIEDSA-N 1 1 323.397 -1.056 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077043615 677780233 /nfs/dbraw/zinc/78/02/33/677780233.db2.gz GKWXRJSJGKRKNT-GHMZBOCLSA-N 1 1 321.337 -1.659 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077043615 677780238 /nfs/dbraw/zinc/78/02/38/677780238.db2.gz GKWXRJSJGKRKNT-GHMZBOCLSA-N 1 1 321.337 -1.659 20 0 DAADMO Cn1ccc(-c2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)no2)n1 ZINC001077058492 677780730 /nfs/dbraw/zinc/78/07/30/677780730.db2.gz NXLLNHMGFSWEOW-VXGBXAGGSA-N 1 1 321.337 -1.158 20 0 DAADMO Cn1ccc(-c2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)no2)n1 ZINC001077058492 677780732 /nfs/dbraw/zinc/78/07/32/677780732.db2.gz NXLLNHMGFSWEOW-VXGBXAGGSA-N 1 1 321.337 -1.158 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001077091296 677782562 /nfs/dbraw/zinc/78/25/62/677782562.db2.gz UQSURAWISRYCPE-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077093557 677782727 /nfs/dbraw/zinc/78/27/27/677782727.db2.gz WAGFZIZVSURUHB-GHMZBOCLSA-N 1 1 321.399 -2.434 20 0 DAADMO CC(C)CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077087569 677783093 /nfs/dbraw/zinc/78/30/93/677783093.db2.gz MGBQLLOVQOXZPM-YNEHKIRRSA-N 1 1 313.398 -1.356 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001077097875 677783391 /nfs/dbraw/zinc/78/33/91/677783391.db2.gz HPDVDEXRZCYOQF-GHMZBOCLSA-N 1 1 306.326 -1.490 20 0 DAADMO CC(=O)Nc1cccnc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077105876 677784180 /nfs/dbraw/zinc/78/41/80/677784180.db2.gz NTGWJTYAYLDRLW-VXGBXAGGSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077105876 677784184 /nfs/dbraw/zinc/78/41/84/677784184.db2.gz NTGWJTYAYLDRLW-VXGBXAGGSA-N 1 1 308.338 -1.193 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077130493 677785380 /nfs/dbraw/zinc/78/53/80/677785380.db2.gz AVNMZCCNKPSDAS-GMTAPVOTSA-N 1 1 307.354 -1.593 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141022 677785675 /nfs/dbraw/zinc/78/56/75/677785675.db2.gz QSCAHCBAMQHQFP-QJPTWQEYSA-N 1 1 315.370 -1.959 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142230 677785717 /nfs/dbraw/zinc/78/57/17/677785717.db2.gz YHJLXPUARCBXGX-QJPTWQEYSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140969 677785996 /nfs/dbraw/zinc/78/59/96/677785996.db2.gz OBGUBKYEFIQTNI-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140969 677786000 /nfs/dbraw/zinc/78/60/00/677786000.db2.gz OBGUBKYEFIQTNI-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077142132 677786031 /nfs/dbraw/zinc/78/60/31/677786031.db2.gz TUMCOHBVAQMTTI-GHMZBOCLSA-N 1 1 301.343 -2.611 20 0 DAADMO Cn1cnc2cncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)c21 ZINC001077161244 677786310 /nfs/dbraw/zinc/78/63/10/677786310.db2.gz PMTODEFAGVHGHN-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2cncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC001077161244 677786314 /nfs/dbraw/zinc/78/63/14/677786314.db2.gz PMTODEFAGVHGHN-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1)OC ZINC001077162419 677787514 /nfs/dbraw/zinc/78/75/14/677787514.db2.gz VBNMMHSJUDSHGX-CYZMBNFOSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CNC(=O)c2ccccc21 ZINC001077147595 677788264 /nfs/dbraw/zinc/78/82/64/677788264.db2.gz WHRTYMMHUXMVAB-MGPQQGTHSA-N 1 1 319.361 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CNC(=O)c2ccccc21 ZINC001077147595 677788266 /nfs/dbraw/zinc/78/82/66/677788266.db2.gz WHRTYMMHUXMVAB-MGPQQGTHSA-N 1 1 319.361 -1.333 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077162042 677788668 /nfs/dbraw/zinc/78/86/68/677788668.db2.gz ABZRQNRXBYVXFO-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC001077170092 677788780 /nfs/dbraw/zinc/78/87/80/677788780.db2.gz QOAOPRXVZSCPLX-ZYHUDNBSSA-N 1 1 310.354 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077184310 677790035 /nfs/dbraw/zinc/79/00/35/677790035.db2.gz ZDCREVDGOXGHAD-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077183814 677790205 /nfs/dbraw/zinc/79/02/05/677790205.db2.gz BSROEISFNYBVSW-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077183814 677790210 /nfs/dbraw/zinc/79/02/10/677790210.db2.gz BSROEISFNYBVSW-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@H]3O)nn2c1 ZINC001077200103 677791155 /nfs/dbraw/zinc/79/11/55/677791155.db2.gz AWHBNRFJWFJNJY-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@H]3O)nn2c1 ZINC001077200103 677791157 /nfs/dbraw/zinc/79/11/57/677791157.db2.gz AWHBNRFJWFJNJY-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236926 677792067 /nfs/dbraw/zinc/79/20/67/677792067.db2.gz TYHLNHFBKUKZEF-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077237971 677792358 /nfs/dbraw/zinc/79/23/58/677792358.db2.gz WMCVEOGVQMRVGV-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001077231332 677792433 /nfs/dbraw/zinc/79/24/33/677792433.db2.gz MADQURVRWZZSTJ-VXGBXAGGSA-N 1 1 308.338 -2.123 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001077230812 677792619 /nfs/dbraw/zinc/79/26/19/677792619.db2.gz SXZUTJJUBWIUPJ-CKYFFXLPSA-N 1 1 310.354 -1.431 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264184 677794437 /nfs/dbraw/zinc/79/44/37/677794437.db2.gz HTTPZTFFRNXWAU-GMTAPVOTSA-N 1 1 315.349 -1.509 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264305 677794549 /nfs/dbraw/zinc/79/45/49/677794549.db2.gz NWTYGGHOHOWATF-GMTAPVOTSA-N 1 1 313.358 -2.222 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264247 677794737 /nfs/dbraw/zinc/79/47/37/677794737.db2.gz LJWIENBAAPNQPZ-IJLUTSLNSA-N 1 1 311.386 -1.211 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297152 677797341 /nfs/dbraw/zinc/79/73/41/677797341.db2.gz VTTCXZJQAFXCJB-GMTAPVOTSA-N 1 1 300.359 -2.056 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077297240 677797660 /nfs/dbraw/zinc/79/76/60/677797660.db2.gz ZOEQPFNKDXIHHD-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001077302691 677798623 /nfs/dbraw/zinc/79/86/23/677798623.db2.gz DCWXRVTZEBGANN-VXGBXAGGSA-N 1 1 320.349 -1.003 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001077302691 677798625 /nfs/dbraw/zinc/79/86/25/677798625.db2.gz DCWXRVTZEBGANN-VXGBXAGGSA-N 1 1 320.349 -1.003 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321857 677799343 /nfs/dbraw/zinc/79/93/43/677799343.db2.gz PZQBSXVXRJLSOQ-NXEZZACHSA-N 1 1 312.326 -2.243 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315553 677799455 /nfs/dbraw/zinc/79/94/55/677799455.db2.gz RSYKSWWMGWUSDT-IRUJWGPZSA-N 1 1 324.381 -1.066 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077321869 677799475 /nfs/dbraw/zinc/79/94/75/677799475.db2.gz QJKXRXXHBRMQNV-NXEZZACHSA-N 1 1 312.326 -2.507 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077313166 677799573 /nfs/dbraw/zinc/79/95/73/677799573.db2.gz KKCMVWBFMGELJA-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077313166 677799574 /nfs/dbraw/zinc/79/95/74/677799574.db2.gz KKCMVWBFMGELJA-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077315136 677799641 /nfs/dbraw/zinc/79/96/41/677799641.db2.gz HTEXHNAYISVWAC-ZYHUDNBSSA-N 1 1 310.354 -1.719 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001077318772 677799691 /nfs/dbraw/zinc/79/96/91/677799691.db2.gz MYSVPQYYDYJYAD-HOSYDEDBSA-N 1 1 305.338 -1.115 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573759 677801213 /nfs/dbraw/zinc/80/12/13/677801213.db2.gz UCWVOPJBCWRZAO-AGIUHOORSA-N 1 1 322.413 -1.039 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)cc1=O ZINC001077389064 677802688 /nfs/dbraw/zinc/80/26/88/677802688.db2.gz IOIQWJPVHRDJRR-HLUHBDAQSA-N 1 1 311.338 -1.461 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cc1=O ZINC001077389064 677802690 /nfs/dbraw/zinc/80/26/90/677802690.db2.gz IOIQWJPVHRDJRR-HLUHBDAQSA-N 1 1 311.338 -1.461 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001077394827 677803145 /nfs/dbraw/zinc/80/31/45/677803145.db2.gz GMPMUPGZVXTGKK-VXGBXAGGSA-N 1 1 306.326 -1.064 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077394804 677803231 /nfs/dbraw/zinc/80/32/31/677803231.db2.gz FCHWGUABIRNKJD-VXGBXAGGSA-N 1 1 319.369 -1.318 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)cc1=O ZINC001077390285 677804070 /nfs/dbraw/zinc/80/40/70/677804070.db2.gz LGSHGYCRLFZKMK-IQJOONFLSA-N 1 1 312.322 -1.196 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cc1=O ZINC001077390285 677804072 /nfs/dbraw/zinc/80/40/72/677804072.db2.gz LGSHGYCRLFZKMK-IQJOONFLSA-N 1 1 312.322 -1.196 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418693 677804541 /nfs/dbraw/zinc/80/45/41/677804541.db2.gz WPVFFNVXKUCHDP-KYRAHZRRSA-N 1 1 324.381 -2.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1coc2c1C(=O)NCCC2 ZINC001077420622 677804700 /nfs/dbraw/zinc/80/47/00/677804700.db2.gz MIZLGCGHSZSSTF-GHMZBOCLSA-N 1 1 323.349 -1.277 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1coc2c1C(=O)NCCC2 ZINC001077420622 677804704 /nfs/dbraw/zinc/80/47/04/677804704.db2.gz MIZLGCGHSZSSTF-GHMZBOCLSA-N 1 1 323.349 -1.277 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 ZINC001083577531 677804915 /nfs/dbraw/zinc/80/49/15/677804915.db2.gz YKQFWIQWZFNRIX-WQAKAFBOSA-N 1 1 307.350 -1.059 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)CC1=O ZINC001083584631 677805374 /nfs/dbraw/zinc/80/53/74/677805374.db2.gz FBUBFTNJOKBVBT-NEPJUHHUSA-N 1 1 316.377 -1.719 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001083581341 677805495 /nfs/dbraw/zinc/80/54/95/677805495.db2.gz SKWCHKUBBJSZDO-AEJSXWLSSA-N 1 1 311.342 -2.300 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083582098 677805640 /nfs/dbraw/zinc/80/56/40/677805640.db2.gz WTMWOXJCEMGWSW-YPMHNXCESA-N 1 1 312.370 -1.276 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586122 677806343 /nfs/dbraw/zinc/80/63/43/677806343.db2.gz DGXOOCSPWMCYQG-AXFHLTTASA-N 1 1 313.358 -2.222 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586123 677806381 /nfs/dbraw/zinc/80/63/81/677806381.db2.gz DGXOOCSPWMCYQG-MXWKQRLJSA-N 1 1 313.358 -2.222 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)no1 ZINC001083590623 677806718 /nfs/dbraw/zinc/80/67/18/677806718.db2.gz NQHHBXCVLBWXCP-OLZOCXBDSA-N 1 1 312.370 -1.107 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)no1 ZINC001083590623 677806723 /nfs/dbraw/zinc/80/67/23/677806723.db2.gz NQHHBXCVLBWXCP-OLZOCXBDSA-N 1 1 312.370 -1.107 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042877893 677808361 /nfs/dbraw/zinc/80/83/61/677808361.db2.gz WOEIUSDUZNYLCM-NWDGAFQWSA-N 1 1 313.398 -1.213 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601384 677810009 /nfs/dbraw/zinc/81/00/09/677810009.db2.gz UBDIXYDXBUFULO-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906428904 677810218 /nfs/dbraw/zinc/81/02/18/677810218.db2.gz MTHGNNKMNYSHBN-UHFFFAOYSA-N 1 1 314.386 -1.643 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607933 677810761 /nfs/dbraw/zinc/81/07/61/677810761.db2.gz VVZVJWSUBLTSTN-XRNSZHNASA-N 1 1 310.354 -1.720 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083610073 677811240 /nfs/dbraw/zinc/81/12/40/677811240.db2.gz CVTZKEXNLKSIHT-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083610073 677811241 /nfs/dbraw/zinc/81/12/41/677811241.db2.gz CVTZKEXNLKSIHT-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cccc2ncnn21 ZINC001083610934 677811268 /nfs/dbraw/zinc/81/12/68/677811268.db2.gz UPKKQHCPICHQMS-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083609366 677811629 /nfs/dbraw/zinc/81/16/29/677811629.db2.gz RSYKSWWMGWUSDT-NDMJEZRESA-N 1 1 324.381 -1.066 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083613255 677811853 /nfs/dbraw/zinc/81/18/53/677811853.db2.gz MAKSGXGCAMKPSP-MNOVXSKESA-N 1 1 310.354 -1.234 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)[C@@H](O)C1 ZINC001083619765 677811879 /nfs/dbraw/zinc/81/18/79/677811879.db2.gz FLCJLFVIBKQXAW-TUAOUCFPSA-N 1 1 314.386 -1.415 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083613525 677811939 /nfs/dbraw/zinc/81/19/39/677811939.db2.gz ZUQIXDLYQGAMSB-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083612871 677812077 /nfs/dbraw/zinc/81/20/77/677812077.db2.gz PZQBSXVXRJLSOQ-ZJUUUORDSA-N 1 1 312.326 -2.243 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077432968 677813184 /nfs/dbraw/zinc/81/31/84/677813184.db2.gz GKZHFSAYMITXGL-IJLUTSLNSA-N 1 1 309.370 -1.697 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC001083630317 677813432 /nfs/dbraw/zinc/81/34/32/677813432.db2.gz OKPJYWZOHJXFAM-ZJUUUORDSA-N 1 1 306.326 -1.490 20 0 DAADMO COc1ccnc(OC)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083635100 677813709 /nfs/dbraw/zinc/81/37/09/677813709.db2.gz BINAAAUWIYIIAW-ZJUUUORDSA-N 1 1 311.338 -1.134 20 0 DAADMO COc1ccnc(OC)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083635100 677813714 /nfs/dbraw/zinc/81/37/14/677813714.db2.gz BINAAAUWIYIIAW-ZJUUUORDSA-N 1 1 311.338 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001077434394 677814058 /nfs/dbraw/zinc/81/40/58/677814058.db2.gz RPZRVQWJXLSHMF-YNEHKIRRSA-N 1 1 319.365 -1.063 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639524 677814287 /nfs/dbraw/zinc/81/42/87/677814287.db2.gz UIRCXOLPFTXSAD-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639416 677814387 /nfs/dbraw/zinc/81/43/87/677814387.db2.gz OWTQDMPFDFPVNM-GDPRMGEGSA-N 1 1 306.326 -1.720 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cc1=O ZINC001083643193 677815431 /nfs/dbraw/zinc/81/54/31/677815431.db2.gz VWJNSKWSFISBKE-KOLCDFICSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001083643193 677815432 /nfs/dbraw/zinc/81/54/32/677815432.db2.gz VWJNSKWSFISBKE-KOLCDFICSA-N 1 1 312.322 -1.194 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645009 677815478 /nfs/dbraw/zinc/81/54/78/677815478.db2.gz GMTSZDDDGFICOE-AGIUHOORSA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001083644920 677816025 /nfs/dbraw/zinc/81/60/25/677816025.db2.gz CJBUFTUXAHGXRY-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)NC2(CS(C)(=O)=O)COC2)C1 ZINC000912260950 677817295 /nfs/dbraw/zinc/81/72/95/677817295.db2.gz XPZPNKLNQCWXRN-UHFFFAOYSA-N 1 1 319.427 -1.590 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC2(CS(C)(=O)=O)COC2)C1 ZINC000912260950 677817298 /nfs/dbraw/zinc/81/72/98/677817298.db2.gz XPZPNKLNQCWXRN-UHFFFAOYSA-N 1 1 319.427 -1.590 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001083662982 677819065 /nfs/dbraw/zinc/81/90/65/677819065.db2.gz RPZRVQWJXLSHMF-XQQFMLRXSA-N 1 1 319.365 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(Cn2ccnn2)o1 ZINC001083662389 677819071 /nfs/dbraw/zinc/81/90/71/677819071.db2.gz NRJMLYNOWOEVJS-NEPJUHHUSA-N 1 1 321.337 -1.313 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(Cn2ccnn2)o1 ZINC001083662389 677819072 /nfs/dbraw/zinc/81/90/72/677819072.db2.gz NRJMLYNOWOEVJS-NEPJUHHUSA-N 1 1 321.337 -1.313 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001083663044 677819079 /nfs/dbraw/zinc/81/90/79/677819079.db2.gz USJSCGWAGXCYHN-UPJWGTAASA-N 1 1 323.397 -1.043 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001083663637 677819132 /nfs/dbraw/zinc/81/91/32/677819132.db2.gz DZMXRSIGEFNMSV-TUAOUCFPSA-N 1 1 323.353 -1.827 20 0 DAADMO O=C(N[C@@H]1CN(CCO)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654914 677819149 /nfs/dbraw/zinc/81/91/49/677819149.db2.gz MFIXXKVQAPVAJF-NRYGQCTKSA-N 1 1 311.382 -1.997 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001083663169 677819497 /nfs/dbraw/zinc/81/94/97/677819497.db2.gz AQVUGZRDVXUOGW-PDWCTOEPSA-N 1 1 314.382 -1.154 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001083663169 677819501 /nfs/dbraw/zinc/81/95/01/677819501.db2.gz AQVUGZRDVXUOGW-PDWCTOEPSA-N 1 1 314.382 -1.154 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CNC(=O)C1 ZINC001083664725 677819898 /nfs/dbraw/zinc/81/98/98/677819898.db2.gz YLPZGLZSQMKJPL-TYNCELHUSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CNC(=O)C1 ZINC001083664725 677819900 /nfs/dbraw/zinc/81/99/00/677819900.db2.gz YLPZGLZSQMKJPL-TYNCELHUSA-N 1 1 321.381 -1.429 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001083664758 677820007 /nfs/dbraw/zinc/82/00/07/677820007.db2.gz ZPXPCUVUAKQHNL-TUAOUCFPSA-N 1 1 307.354 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001083664377 677820015 /nfs/dbraw/zinc/82/00/15/677820015.db2.gz MYPPOMWUINQAJW-AXFHLTTASA-N 1 1 309.326 -2.481 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001083664377 677820019 /nfs/dbraw/zinc/82/00/19/677820019.db2.gz MYPPOMWUINQAJW-AXFHLTTASA-N 1 1 309.326 -2.481 20 0 DAADMO CN1C[C@H](O)C[C@@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992919 677821360 /nfs/dbraw/zinc/82/13/60/677821360.db2.gz OIPQWUVENOYSGS-XUJVJEKNSA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C[C@H](O)C[C@@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992919 677821362 /nfs/dbraw/zinc/82/13/62/677821362.db2.gz OIPQWUVENOYSGS-XUJVJEKNSA-N 1 1 312.414 -1.103 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCO1 ZINC000912990332 677821374 /nfs/dbraw/zinc/82/13/74/677821374.db2.gz IHQNHJQDFAZXGX-GYSYKLTISA-N 1 1 314.386 -1.402 20 0 DAADMO COCC1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCOCC1 ZINC000913181405 677822326 /nfs/dbraw/zinc/82/23/26/677822326.db2.gz JNYISHMYEJIQFT-AWEZNQCLSA-N 1 1 302.371 -1.103 20 0 DAADMO COCC1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCOCC1 ZINC000913181406 677822458 /nfs/dbraw/zinc/82/24/58/677822458.db2.gz JNYISHMYEJIQFT-CQSZACIVSA-N 1 1 302.371 -1.103 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)N1CCSCC1 ZINC000913182449 677823021 /nfs/dbraw/zinc/82/30/21/677823021.db2.gz HOXUMOAPTAAVQU-DGCLKSJQSA-N 1 1 303.428 -1.109 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913543546 677824730 /nfs/dbraw/zinc/82/47/30/677824730.db2.gz KOBYBKBBGQVUPL-JTQLQIEISA-N 1 1 308.404 -2.141 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913543546 677824733 /nfs/dbraw/zinc/82/47/33/677824733.db2.gz KOBYBKBBGQVUPL-JTQLQIEISA-N 1 1 308.404 -2.141 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913543547 677824717 /nfs/dbraw/zinc/82/47/17/677824717.db2.gz KOBYBKBBGQVUPL-SNVBAGLBSA-N 1 1 308.404 -2.141 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913543547 677824721 /nfs/dbraw/zinc/82/47/21/677824721.db2.gz KOBYBKBBGQVUPL-SNVBAGLBSA-N 1 1 308.404 -2.141 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)C[C@H]1CO ZINC000913542640 677824758 /nfs/dbraw/zinc/82/47/58/677824758.db2.gz OCLXYNJKDMWJPD-JTQLQIEISA-N 1 1 314.411 -1.382 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)C[C@H]1CO ZINC000913542640 677824760 /nfs/dbraw/zinc/82/47/60/677824760.db2.gz OCLXYNJKDMWJPD-JTQLQIEISA-N 1 1 314.411 -1.382 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CN3CN=NC3=O)CC2)n1 ZINC000991487182 677826154 /nfs/dbraw/zinc/82/61/54/677826154.db2.gz DDVRPCXEUFCWBM-UHFFFAOYSA-N 1 1 321.345 -1.712 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000991487127 677826222 /nfs/dbraw/zinc/82/62/22/677826222.db2.gz RRPLTPIONLAWKG-PWSUYJOCSA-N 1 1 322.369 -1.408 20 0 DAADMO CCCCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077447652 677826609 /nfs/dbraw/zinc/82/66/09/677826609.db2.gz HMPXPAGPNFDNMR-HZSPNIEDSA-N 1 1 315.414 -1.359 20 0 DAADMO CCCCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077447652 677826611 /nfs/dbraw/zinc/82/66/11/677826611.db2.gz HMPXPAGPNFDNMR-HZSPNIEDSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1c[nH]nc1[C@H]1CCOC1 ZINC001077457535 677830056 /nfs/dbraw/zinc/83/00/56/677830056.db2.gz TVEDQGCSPCMUOJ-MVWJERBFSA-N 1 1 310.354 -1.319 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1c[nH]nc1[C@H]1CCOC1 ZINC001077457535 677830059 /nfs/dbraw/zinc/83/00/59/677830059.db2.gz TVEDQGCSPCMUOJ-MVWJERBFSA-N 1 1 310.354 -1.319 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900171081 677830539 /nfs/dbraw/zinc/83/05/39/677830539.db2.gz GQPUFTZCIFPCBQ-DOMZBBRYSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900171081 677830541 /nfs/dbraw/zinc/83/05/41/677830541.db2.gz GQPUFTZCIFPCBQ-DOMZBBRYSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1 ZINC001040668434 677830599 /nfs/dbraw/zinc/83/05/99/677830599.db2.gz LGWQDBJNMWSYHD-IINYFYTJSA-N 1 1 323.353 -1.286 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)nn1-c1nc[nH]n1 ZINC001077481192 677831338 /nfs/dbraw/zinc/83/13/38/677831338.db2.gz JCONJAHPUDGTLG-RKDXNWHRSA-N 1 1 322.329 -2.539 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn1-c1nc[nH]n1 ZINC001077481192 677831340 /nfs/dbraw/zinc/83/13/40/677831340.db2.gz JCONJAHPUDGTLG-RKDXNWHRSA-N 1 1 322.329 -2.539 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001077481194 677831382 /nfs/dbraw/zinc/83/13/82/677831382.db2.gz JHVJSUTXBFIZBQ-RKDXNWHRSA-N 1 1 306.330 -1.511 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1C ZINC001077487648 677831808 /nfs/dbraw/zinc/83/18/08/677831808.db2.gz CUUYQOXYRPKHND-VXGBXAGGSA-N 1 1 324.381 -1.446 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1-n1cccc1 ZINC001077485218 677832042 /nfs/dbraw/zinc/83/20/42/677832042.db2.gz JGPBZAINFJZIMX-CHWSQXEVSA-N 1 1 319.365 -1.022 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1-n1cccc1 ZINC001077485218 677832045 /nfs/dbraw/zinc/83/20/45/677832045.db2.gz JGPBZAINFJZIMX-CHWSQXEVSA-N 1 1 319.365 -1.022 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1C ZINC001077489868 677832279 /nfs/dbraw/zinc/83/22/79/677832279.db2.gz ITHWERMHCHNNAN-GHMZBOCLSA-N 1 1 310.354 -1.044 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077496085 677832514 /nfs/dbraw/zinc/83/25/14/677832514.db2.gz DSIRCMLBJFXLLB-NXEZZACHSA-N 1 1 306.330 -1.820 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077496085 677832518 /nfs/dbraw/zinc/83/25/18/677832518.db2.gz DSIRCMLBJFXLLB-NXEZZACHSA-N 1 1 306.330 -1.820 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077494901 677832633 /nfs/dbraw/zinc/83/26/33/677832633.db2.gz ISUSCSOSLNRZEK-VXGBXAGGSA-N 1 1 319.369 -1.136 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077494901 677832636 /nfs/dbraw/zinc/83/26/36/677832636.db2.gz ISUSCSOSLNRZEK-VXGBXAGGSA-N 1 1 319.369 -1.136 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077496112 677832662 /nfs/dbraw/zinc/83/26/62/677832662.db2.gz GKCOVDYPOYIWFS-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cnco1 ZINC001083681991 677834097 /nfs/dbraw/zinc/83/40/97/677834097.db2.gz DIDYHWYGNMOKJM-UTUOFQBUSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cnco1 ZINC001083681991 677834102 /nfs/dbraw/zinc/83/41/02/677834102.db2.gz DIDYHWYGNMOKJM-UTUOFQBUSA-N 1 1 321.337 -1.293 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)NC1=O ZINC001077510552 677834551 /nfs/dbraw/zinc/83/45/51/677834551.db2.gz ZNFQOLBCDVPZKQ-IJLUTSLNSA-N 1 1 322.369 -1.932 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)NC1=O ZINC001077510552 677834554 /nfs/dbraw/zinc/83/45/54/677834554.db2.gz ZNFQOLBCDVPZKQ-IJLUTSLNSA-N 1 1 322.369 -1.932 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001083685793 677835239 /nfs/dbraw/zinc/83/52/39/677835239.db2.gz MMDLQDOMRWATJI-ZJUUUORDSA-N 1 1 320.357 -1.121 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512327 677835374 /nfs/dbraw/zinc/83/53/74/677835374.db2.gz AKTJQGBUDWLDOI-QJPTWQEYSA-N 1 1 307.354 -1.820 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512833 677835387 /nfs/dbraw/zinc/83/53/87/677835387.db2.gz QARMNATXJKHPMO-HBNTYKKESA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512833 677835392 /nfs/dbraw/zinc/83/53/92/677835392.db2.gz QARMNATXJKHPMO-HBNTYKKESA-N 1 1 308.342 -2.425 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 ZINC001083690202 677836486 /nfs/dbraw/zinc/83/64/86/677836486.db2.gz HFTQGQCSGCWMDS-WCQGTBRESA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 ZINC001083691986 677836959 /nfs/dbraw/zinc/83/69/59/677836959.db2.gz QGCXTHABQRRAIR-HONMWMINSA-N 1 1 321.377 -1.130 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083691246 677837004 /nfs/dbraw/zinc/83/70/04/677837004.db2.gz GKCOVDYPOYIWFS-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001083697050 677837650 /nfs/dbraw/zinc/83/76/50/677837650.db2.gz DCALNLVQQWHTHC-KGLIPLIRSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083696999 677837879 /nfs/dbraw/zinc/83/78/79/677837879.db2.gz AEIQRIRFIAACLR-UTUOFQBUSA-N 1 1 316.377 -1.672 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697082 677837933 /nfs/dbraw/zinc/83/79/33/677837933.db2.gz FTQMKLUGCWBSIV-AXFHLTTASA-N 1 1 300.359 -3.040 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083699085 677838894 /nfs/dbraw/zinc/83/88/94/677838894.db2.gz KOHCQQBVQVWNCO-XQQFMLRXSA-N 1 1 311.382 -1.290 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)NC1=O ZINC001083700684 677840374 /nfs/dbraw/zinc/84/03/74/677840374.db2.gz UDPACQIQNKEGOJ-VWYCJHECSA-N 1 1 323.357 -2.537 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)NC1=O ZINC001083700684 677840377 /nfs/dbraw/zinc/84/03/77/677840377.db2.gz UDPACQIQNKEGOJ-VWYCJHECSA-N 1 1 323.357 -2.537 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083705917 677840853 /nfs/dbraw/zinc/84/08/53/677840853.db2.gz BSAIEKDQVRDHNL-ZJUUUORDSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083705917 677840856 /nfs/dbraw/zinc/84/08/56/677840856.db2.gz BSAIEKDQVRDHNL-ZJUUUORDSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)n1 ZINC001083706044 677840983 /nfs/dbraw/zinc/84/09/83/677840983.db2.gz IGGXQDSXBVEWAJ-MXWKQRLJSA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)n1 ZINC001083706044 677840985 /nfs/dbraw/zinc/84/09/85/677840985.db2.gz IGGXQDSXBVEWAJ-MXWKQRLJSA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083705970 677841076 /nfs/dbraw/zinc/84/10/76/677841076.db2.gz FMSXMSFRAORETJ-TUAOUCFPSA-N 1 1 324.385 -1.056 20 0 DAADMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)C1 ZINC001083706141 677841281 /nfs/dbraw/zinc/84/12/81/677841281.db2.gz NEIILZITUOXDPU-HCWSGVFWSA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001083706386 677841705 /nfs/dbraw/zinc/84/17/05/677841705.db2.gz YTWRMQJFOVQKNE-MNOVXSKESA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001083706386 677841710 /nfs/dbraw/zinc/84/17/10/677841710.db2.gz YTWRMQJFOVQKNE-MNOVXSKESA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)n1 ZINC001083706353 677841723 /nfs/dbraw/zinc/84/17/23/677841723.db2.gz XBLRITVIAFQNKB-MXWKQRLJSA-N 1 1 310.358 -1.588 20 0 DAADMO COC(=O)[C@H](CO)NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914327551 677844960 /nfs/dbraw/zinc/84/49/60/677844960.db2.gz OOXJDVMUARSRFM-JQWIXIFHSA-N 1 1 306.384 -1.074 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)n1 ZINC001077525096 677843199 /nfs/dbraw/zinc/84/31/99/677843199.db2.gz FMSXMSFRAORETJ-IJLUTSLNSA-N 1 1 324.385 -1.056 20 0 DAADMO COC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914327551 677844954 /nfs/dbraw/zinc/84/49/54/677844954.db2.gz OOXJDVMUARSRFM-JQWIXIFHSA-N 1 1 306.384 -1.074 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040748851 677844886 /nfs/dbraw/zinc/84/48/86/677844886.db2.gz FDAFIVGZPYOZQD-ZDUSSCGKSA-N 1 1 309.326 -2.244 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)n1 ZINC001077527995 677845626 /nfs/dbraw/zinc/84/56/26/677845626.db2.gz XBLRITVIAFQNKB-HBNTYKKESA-N 1 1 310.358 -1.588 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077530493 677847703 /nfs/dbraw/zinc/84/77/03/677847703.db2.gz JRVPDFUQYWVDRE-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077530493 677847707 /nfs/dbraw/zinc/84/77/07/677847707.db2.gz JRVPDFUQYWVDRE-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083723722 677848404 /nfs/dbraw/zinc/84/84/04/677848404.db2.gz XYDGXHGXHZSOHU-AGIUHOORSA-N 1 1 313.398 -1.071 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083725760 677848585 /nfs/dbraw/zinc/84/85/85/677848585.db2.gz OABPFVMFFPNTTK-WOPDTQHZSA-N 1 1 314.386 -2.258 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083725760 677848590 /nfs/dbraw/zinc/84/85/90/677848590.db2.gz OABPFVMFFPNTTK-WOPDTQHZSA-N 1 1 314.386 -2.258 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727264 677848897 /nfs/dbraw/zinc/84/88/97/677848897.db2.gz UCGOPAFRKOUINM-RVMXOQNASA-N 1 1 312.414 -1.376 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@]1(F)CCOC1 ZINC001083725504 677849293 /nfs/dbraw/zinc/84/92/93/677849293.db2.gz GAWHDFQYJWUFNX-MDZLAQPJSA-N 1 1 313.333 -1.432 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@]1(F)CCOC1 ZINC001083725504 677849296 /nfs/dbraw/zinc/84/92/96/677849296.db2.gz GAWHDFQYJWUFNX-MDZLAQPJSA-N 1 1 313.333 -1.432 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001046667203 677849591 /nfs/dbraw/zinc/84/95/91/677849591.db2.gz SQORULLEHIQKOK-CQSZACIVSA-N 1 1 310.354 -1.730 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)CC2 ZINC001083731586 677850268 /nfs/dbraw/zinc/85/02/68/677850268.db2.gz FSCMALIUWBTMNS-UHTWSYAYSA-N 1 1 321.381 -1.599 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](CCCO)C1 ZINC001046845132 677852321 /nfs/dbraw/zinc/85/23/21/677852321.db2.gz VJVHZAUKVJSBNF-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)c1 ZINC001083741970 677853702 /nfs/dbraw/zinc/85/37/02/677853702.db2.gz YRZJUXOWEZKCMR-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)c1 ZINC001083741970 677853704 /nfs/dbraw/zinc/85/37/04/677853704.db2.gz YRZJUXOWEZKCMR-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744015 677854497 /nfs/dbraw/zinc/85/44/97/677854497.db2.gz RVNPHXZUODSNIC-OLZOCXBDSA-N 1 1 307.350 -1.020 20 0 DAADMO COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744015 677854502 /nfs/dbraw/zinc/85/45/02/677854502.db2.gz RVNPHXZUODSNIC-OLZOCXBDSA-N 1 1 307.350 -1.020 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083744670 677855177 /nfs/dbraw/zinc/85/51/77/677855177.db2.gz XKTWRGHIERLHRY-SFYZADRCSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083744670 677855179 /nfs/dbraw/zinc/85/51/79/677855179.db2.gz XKTWRGHIERLHRY-SFYZADRCSA-N 1 1 313.314 -3.425 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCC1(F)F)[C@H]1CNC(=O)N1 ZINC001046971102 677855847 /nfs/dbraw/zinc/85/58/47/677855847.db2.gz NRKLAMUEBJRJKK-RKDXNWHRSA-N 1 1 306.313 -1.267 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCC(=O)N1 ZINC001083757999 677857581 /nfs/dbraw/zinc/85/75/81/677857581.db2.gz FRGPFNDDPMELKX-SUNKGSAMSA-N 1 1 322.369 -1.892 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCC(=O)N1 ZINC001083757999 677857583 /nfs/dbraw/zinc/85/75/83/677857583.db2.gz FRGPFNDDPMELKX-SUNKGSAMSA-N 1 1 322.369 -1.892 20 0 DAADMO NC(=O)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001083764630 677858537 /nfs/dbraw/zinc/85/85/37/677858537.db2.gz QHLPAPDCSHZCRU-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001083764630 677858538 /nfs/dbraw/zinc/85/85/38/677858538.db2.gz QHLPAPDCSHZCRU-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083767153 677859281 /nfs/dbraw/zinc/85/92/81/677859281.db2.gz PGXJIAOCEYYKMS-SFYZADRCSA-N 1 1 319.343 -3.176 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083767153 677859282 /nfs/dbraw/zinc/85/92/82/677859282.db2.gz PGXJIAOCEYYKMS-SFYZADRCSA-N 1 1 319.343 -3.176 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001083766961 677859302 /nfs/dbraw/zinc/85/93/02/677859302.db2.gz FOMPCAYONIZPSU-SFYZADRCSA-N 1 1 303.344 -2.148 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040901444 677859881 /nfs/dbraw/zinc/85/98/81/677859881.db2.gz JPRIAIJEXXSZDZ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077571609 677860457 /nfs/dbraw/zinc/86/04/57/677860457.db2.gz RLHYOYRFJPASJN-LERXQTSPSA-N 1 1 308.382 -1.006 20 0 DAADMO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077571609 677860461 /nfs/dbraw/zinc/86/04/61/677860461.db2.gz RLHYOYRFJPASJN-LERXQTSPSA-N 1 1 308.382 -1.006 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077576620 677861672 /nfs/dbraw/zinc/86/16/72/677861672.db2.gz WDMBDRHHMNPVBN-IRUJWGPZSA-N 1 1 309.370 -1.926 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077576621 677861975 /nfs/dbraw/zinc/86/19/75/677861975.db2.gz WDMBDRHHMNPVBN-UFGOTCBOSA-N 1 1 309.370 -1.926 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047490354 677862344 /nfs/dbraw/zinc/86/23/44/677862344.db2.gz RRONAZSUJJEVKV-VWYCJHECSA-N 1 1 310.358 -1.636 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001077576704 677862548 /nfs/dbraw/zinc/86/25/48/677862548.db2.gz ZCUINPNKHUXSMN-ZKYQVNSYSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083779278 677862795 /nfs/dbraw/zinc/86/27/95/677862795.db2.gz UQEJBXZVAXQPLM-MCIONIFRSA-N 1 1 322.413 -1.076 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)C1 ZINC001083780673 677863167 /nfs/dbraw/zinc/86/31/67/677863167.db2.gz GGLXFLPKEWRICH-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)C1 ZINC001083780845 677863176 /nfs/dbraw/zinc/86/31/76/677863176.db2.gz MOHDIEFXMRPIJC-TUAOUCFPSA-N 1 1 323.401 -1.787 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001040972911 677863200 /nfs/dbraw/zinc/86/32/00/677863200.db2.gz OSLGUWSZJVYOJF-UTUOFQBUSA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001040972911 677863203 /nfs/dbraw/zinc/86/32/03/677863203.db2.gz OSLGUWSZJVYOJF-UTUOFQBUSA-N 1 1 307.354 -1.527 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)C1 ZINC001083780826 677863286 /nfs/dbraw/zinc/86/32/86/677863286.db2.gz LSQLPXQNECOJBW-XQQFMLRXSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)C1 ZINC001083780846 677863420 /nfs/dbraw/zinc/86/34/20/677863420.db2.gz MOHDIEFXMRPIJC-UTUOFQBUSA-N 1 1 323.401 -1.787 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)C1 ZINC001083780650 677863532 /nfs/dbraw/zinc/86/35/32/677863532.db2.gz FRRDSEWTBMKIJO-UTUOFQBUSA-N 1 1 323.401 -1.787 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)CC2 ZINC001077583641 677864857 /nfs/dbraw/zinc/86/48/57/677864857.db2.gz FSCMALIUWBTMNS-RAIGVLPGSA-N 1 1 321.381 -1.599 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047587834 677864982 /nfs/dbraw/zinc/86/49/82/677864982.db2.gz ABSBINLWYHWFEY-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047587834 677864984 /nfs/dbraw/zinc/86/49/84/677864984.db2.gz ABSBINLWYHWFEY-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083783214 677865002 /nfs/dbraw/zinc/86/50/02/677865002.db2.gz FZZMOECNMAGWTP-XQHKEYJVSA-N 1 1 311.382 -1.162 20 0 DAADMO Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077584768 677865012 /nfs/dbraw/zinc/86/50/12/677865012.db2.gz CXJKMSCWMPPNKO-IACUBPJLSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619605 677865157 /nfs/dbraw/zinc/86/51/57/677865157.db2.gz RNFHEFSIOYINFE-GUBZILKMSA-N 1 1 314.342 -2.578 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586126 677865736 /nfs/dbraw/zinc/86/57/36/677865736.db2.gz IIZWVBLYCHDULV-MVWJERBFSA-N 1 1 308.338 -1.419 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586463 677865887 /nfs/dbraw/zinc/86/58/87/677865887.db2.gz YGRKJXZRCFXEKY-VXGBXAGGSA-N 1 1 318.337 -1.559 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586463 677865889 /nfs/dbraw/zinc/86/58/89/677865889.db2.gz YGRKJXZRCFXEKY-VXGBXAGGSA-N 1 1 318.337 -1.559 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)OC ZINC001077586110 677866004 /nfs/dbraw/zinc/86/60/04/677866004.db2.gz HMKXUYUJEIBLCY-YUSALJHKSA-N 1 1 310.354 -1.030 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598874 677866399 /nfs/dbraw/zinc/86/63/99/677866399.db2.gz GNTBGCIZGIKRGN-RAIGVLPGSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598874 677866400 /nfs/dbraw/zinc/86/64/00/677866400.db2.gz GNTBGCIZGIKRGN-RAIGVLPGSA-N 1 1 319.365 -1.267 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001077599051 677867067 /nfs/dbraw/zinc/86/70/67/677867067.db2.gz MCFJMEXAXMCDBP-QJPTWQEYSA-N 1 1 322.369 -2.195 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600259 677867521 /nfs/dbraw/zinc/86/75/21/677867521.db2.gz DXRGUESYPMGIOL-IJLUTSLNSA-N 1 1 312.370 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077603658 677867750 /nfs/dbraw/zinc/86/77/50/677867750.db2.gz DARUSLWPIOUIAE-CHWSQXEVSA-N 1 1 305.334 -1.137 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077603658 677867754 /nfs/dbraw/zinc/86/77/54/677867754.db2.gz DARUSLWPIOUIAE-CHWSQXEVSA-N 1 1 305.334 -1.137 20 0 DAADMO COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077608879 677869156 /nfs/dbraw/zinc/86/91/56/677869156.db2.gz DDHUUDVMBNCIFW-CHWSQXEVSA-N 1 1 307.350 -1.116 20 0 DAADMO COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077608879 677869161 /nfs/dbraw/zinc/86/91/61/677869161.db2.gz DDHUUDVMBNCIFW-CHWSQXEVSA-N 1 1 307.350 -1.116 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)[nH]c1=O ZINC001077619645 677870013 /nfs/dbraw/zinc/87/00/13/677870013.db2.gz YZSYCMBZEVPWOM-ZYHUDNBSSA-N 1 1 320.353 -1.203 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCNC1=O ZINC001077667041 677872243 /nfs/dbraw/zinc/87/22/43/677872243.db2.gz MQRFCJXZWXOPRW-GYSYKLTISA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCNC1=O ZINC001077667041 677872246 /nfs/dbraw/zinc/87/22/46/677872246.db2.gz MQRFCJXZWXOPRW-GYSYKLTISA-N 1 1 322.369 -2.034 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)O1 ZINC001077669950 677872270 /nfs/dbraw/zinc/87/22/70/677872270.db2.gz XCGSNUSGBIYVJB-KKOKHZNYSA-N 1 1 315.370 -2.224 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)O1 ZINC001077669950 677872272 /nfs/dbraw/zinc/87/22/72/677872272.db2.gz XCGSNUSGBIYVJB-KKOKHZNYSA-N 1 1 315.370 -2.224 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077676605 677873216 /nfs/dbraw/zinc/87/32/16/677873216.db2.gz BLMCMQSPKIWUQD-MRVWCRGKSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001077679219 677873271 /nfs/dbraw/zinc/87/32/71/677873271.db2.gz KJHSQLOLXDANOC-MRVWCRGKSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077675408 677873356 /nfs/dbraw/zinc/87/33/56/677873356.db2.gz MUQIVSHCBRVNOH-BFHYXJOUSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001077687269 677874405 /nfs/dbraw/zinc/87/44/05/677874405.db2.gz HVWDBENPPLDJLF-MPKXVKKWSA-N 1 1 323.397 -1.301 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077690107 677874488 /nfs/dbraw/zinc/87/44/88/677874488.db2.gz WZFKWFCHTIQHDO-DGCLKSJQSA-N 1 1 309.370 -1.690 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC001083785550 677874496 /nfs/dbraw/zinc/87/44/96/677874496.db2.gz HQFFSZLWMJRLKO-OCCSQVGLSA-N 1 1 323.397 -1.035 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689435 677874520 /nfs/dbraw/zinc/87/45/20/677874520.db2.gz MBEBVEFKZYIXBQ-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689447 677874536 /nfs/dbraw/zinc/87/45/36/677874536.db2.gz MHTWSXRYTSIZJA-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001077706235 677875671 /nfs/dbraw/zinc/87/56/71/677875671.db2.gz ANSLQVCITCNCCG-GMTAPVOTSA-N 1 1 310.358 -2.221 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001077704086 677875867 /nfs/dbraw/zinc/87/58/67/677875867.db2.gz AFSBGHJWJDQCFR-CHWSQXEVSA-N 1 1 322.365 -1.090 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 ZINC001077704086 677875870 /nfs/dbraw/zinc/87/58/70/677875870.db2.gz AFSBGHJWJDQCFR-CHWSQXEVSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(CN1C(=O)Cc2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077739343 677877884 /nfs/dbraw/zinc/87/78/84/677877884.db2.gz NKTGRLYGFXUOLA-TZMCWYRMSA-N 1 1 319.361 -1.271 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083787377 677878850 /nfs/dbraw/zinc/87/88/50/677878850.db2.gz YAIBKCSOAADQDF-MNOVXSKESA-N 1 1 311.338 -1.047 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)c1 ZINC001077759622 677879310 /nfs/dbraw/zinc/87/93/10/677879310.db2.gz ZEKUKOCKFQPEHI-CHWSQXEVSA-N 1 1 309.366 -1.300 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c(=O)n(C)c1=O ZINC001077771773 677880564 /nfs/dbraw/zinc/88/05/64/677880564.db2.gz DXTILOJFGKAVIG-VXGBXAGGSA-N 1 1 322.365 -1.731 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001077772140 677881035 /nfs/dbraw/zinc/88/10/35/677881035.db2.gz NVYYHUOTJGVDKK-ZYHUDNBSSA-N 1 1 320.353 -1.539 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077805309 677881950 /nfs/dbraw/zinc/88/19/50/677881950.db2.gz AONGDRFNGWZEPV-HBNTYKKESA-N 1 1 312.374 -1.661 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083789305 677882195 /nfs/dbraw/zinc/88/21/95/677882195.db2.gz VCIDCZZYDFPBEJ-NDBYEHHHSA-N 1 1 309.370 -1.136 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083789305 677882197 /nfs/dbraw/zinc/88/21/97/677882197.db2.gz VCIDCZZYDFPBEJ-NDBYEHHHSA-N 1 1 309.370 -1.136 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 ZINC001083792178 677883335 /nfs/dbraw/zinc/88/33/35/677883335.db2.gz AFSBGHJWJDQCFR-OLZOCXBDSA-N 1 1 322.365 -1.090 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C(N)=O)cn2)[C@@H](O)C1 ZINC001083792178 677883338 /nfs/dbraw/zinc/88/33/38/677883338.db2.gz AFSBGHJWJDQCFR-OLZOCXBDSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001083793085 677883839 /nfs/dbraw/zinc/88/38/39/677883839.db2.gz ANSLQVCITCNCCG-MXWKQRLJSA-N 1 1 310.358 -2.221 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077821105 677884779 /nfs/dbraw/zinc/88/47/79/677884779.db2.gz ZGSBGVOLGHYSKC-UTUOFQBUSA-N 1 1 319.427 -1.162 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)S1(=O)=O ZINC001077820950 677884829 /nfs/dbraw/zinc/88/48/29/677884829.db2.gz RLIXQPRZPSXMQB-UTUOFQBUSA-N 1 1 317.411 -1.408 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)S1(=O)=O ZINC001077820852 677884964 /nfs/dbraw/zinc/88/49/64/677884964.db2.gz NPNHECBQZHWEIP-BBBLOLIVSA-N 1 1 307.372 -2.826 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)S1(=O)=O ZINC001077820852 677884970 /nfs/dbraw/zinc/88/49/70/677884970.db2.gz NPNHECBQZHWEIP-BBBLOLIVSA-N 1 1 307.372 -2.826 20 0 DAADMO CC(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077825150 677885443 /nfs/dbraw/zinc/88/54/43/677885443.db2.gz HFLLYSFOTFYLLQ-BFHYXJOUSA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CC2(C1)NC(=O)NC2=O ZINC001077824056 677885546 /nfs/dbraw/zinc/88/55/46/677885546.db2.gz JNWCYNWSUAVZNP-CNLDYIBBSA-N 1 1 312.326 -2.872 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001077833531 677887225 /nfs/dbraw/zinc/88/72/25/677887225.db2.gz PRACFHOOVNYCMN-CHWSQXEVSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001077833531 677887227 /nfs/dbraw/zinc/88/72/27/677887227.db2.gz PRACFHOOVNYCMN-CHWSQXEVSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000999574299 677890258 /nfs/dbraw/zinc/89/02/58/677890258.db2.gz USWYPVKPGBVMHT-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cn2n1 ZINC001077837537 677890900 /nfs/dbraw/zinc/89/09/00/677890900.db2.gz FRGIVRWMTAUKDN-GHMZBOCLSA-N 1 1 321.337 -1.902 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000999890940 677892193 /nfs/dbraw/zinc/89/21/93/677892193.db2.gz ORTBHYGVTCHNBU-MNOVXSKESA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000999891534 677892204 /nfs/dbraw/zinc/89/22/04/677892204.db2.gz MMYXJFYEKQARKD-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000999890760 677892560 /nfs/dbraw/zinc/89/25/60/677892560.db2.gz IUHAKUXSBGASTC-QMTHXVAHSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999892515 677892577 /nfs/dbraw/zinc/89/25/77/677892577.db2.gz WLTZMXWSDSGMAA-MWLCHTKSSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000999891532 677892607 /nfs/dbraw/zinc/89/26/07/677892607.db2.gz MMYXJFYEKQARKD-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000999862431 677893025 /nfs/dbraw/zinc/89/30/25/677893025.db2.gz DXXRKWKQDILCHF-MWLCHTKSSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000999863313 677893220 /nfs/dbraw/zinc/89/32/20/677893220.db2.gz JLBZWMKCYGZCIN-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000999863314 677893252 /nfs/dbraw/zinc/89/32/52/677893252.db2.gz JLBZWMKCYGZCIN-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077848953 677893430 /nfs/dbraw/zinc/89/34/30/677893430.db2.gz ZKWROYRFUBHAOF-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cnon1 ZINC001077868928 677893813 /nfs/dbraw/zinc/89/38/13/677893813.db2.gz HBHVCFHLZNRDFZ-JMJZKYOTSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cnon1 ZINC001077868928 677893818 /nfs/dbraw/zinc/89/38/18/677893818.db2.gz HBHVCFHLZNRDFZ-JMJZKYOTSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077853128 677894767 /nfs/dbraw/zinc/89/47/67/677894767.db2.gz MMEVQVBGLNPQAO-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC001077873803 677895090 /nfs/dbraw/zinc/89/50/90/677895090.db2.gz BQDZMAMWURMZAU-GHMZBOCLSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC001077873803 677895093 /nfs/dbraw/zinc/89/50/93/677895093.db2.gz BQDZMAMWURMZAU-GHMZBOCLSA-N 1 1 303.326 -1.457 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)c1 ZINC001077900986 677897533 /nfs/dbraw/zinc/89/75/33/677897533.db2.gz WIEUNKBRQOZGPU-ZWKOPEQDSA-N 1 1 322.365 -1.075 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCOC1 ZINC001077899387 677897567 /nfs/dbraw/zinc/89/75/67/677897567.db2.gz DIDGZMCUGXXIBF-BZPMIXESSA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCOC1 ZINC001077899387 677897570 /nfs/dbraw/zinc/89/75/70/677897570.db2.gz DIDGZMCUGXXIBF-BZPMIXESSA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)n1 ZINC001077904288 677897895 /nfs/dbraw/zinc/89/78/95/677897895.db2.gz UGGSXNQIBXIXKA-VXGBXAGGSA-N 1 1 310.354 -1.986 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC001077909243 677899246 /nfs/dbraw/zinc/89/92/46/677899246.db2.gz PXJMRWHTEZISAM-DGCLKSJQSA-N 1 1 309.370 -1.155 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001077949543 677900113 /nfs/dbraw/zinc/90/01/13/677900113.db2.gz AKRHPQMJAMAMER-NXEZZACHSA-N 1 1 312.370 -1.114 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077955932 677900427 /nfs/dbraw/zinc/90/04/27/677900427.db2.gz IIBLZRUCGASJRR-RKDXNWHRSA-N 1 1 300.315 -2.918 20 0 DAADMO COCc1nc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cs1 ZINC001077968415 677900628 /nfs/dbraw/zinc/90/06/28/677900628.db2.gz NVDXRWPISMODEG-GHMZBOCLSA-N 1 1 315.395 -1.014 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cn([C@@H]2CCOC2)nn1 ZINC001077965953 677900772 /nfs/dbraw/zinc/90/07/72/677900772.db2.gz RRAJHJRBEUZUSY-CKYFFXLPSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn([C@@H]2CCOC2)nn1 ZINC001077965953 677900775 /nfs/dbraw/zinc/90/07/75/677900775.db2.gz RRAJHJRBEUZUSY-CKYFFXLPSA-N 1 1 311.342 -1.993 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001077963517 677900907 /nfs/dbraw/zinc/90/09/07/677900907.db2.gz VJORWEUMGBJDRC-QWRGUYRKSA-N 1 1 314.386 -1.408 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cn([C@H]2CCOC2)nn1 ZINC001077965954 677901102 /nfs/dbraw/zinc/90/11/02/677901102.db2.gz RRAJHJRBEUZUSY-HOSYDEDBSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn([C@H]2CCOC2)nn1 ZINC001077965954 677901106 /nfs/dbraw/zinc/90/11/06/677901106.db2.gz RRAJHJRBEUZUSY-HOSYDEDBSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077976841 677901520 /nfs/dbraw/zinc/90/15/20/677901520.db2.gz XTGOYDFYSKMFJA-NXEZZACHSA-N 1 1 306.330 -2.200 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077976841 677901522 /nfs/dbraw/zinc/90/15/22/677901522.db2.gz XTGOYDFYSKMFJA-NXEZZACHSA-N 1 1 306.330 -2.200 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077976700 677901670 /nfs/dbraw/zinc/90/16/70/677901670.db2.gz RGFUOFTVSIACMA-VXGBXAGGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077976700 677901677 /nfs/dbraw/zinc/90/16/77/677901677.db2.gz RGFUOFTVSIACMA-VXGBXAGGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077976700 677901680 /nfs/dbraw/zinc/90/16/80/677901680.db2.gz RGFUOFTVSIACMA-VXGBXAGGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077976803 677901906 /nfs/dbraw/zinc/90/19/06/677901906.db2.gz VZLGGINGZUGSOV-NXEZZACHSA-N 1 1 323.357 -2.466 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077976803 677901911 /nfs/dbraw/zinc/90/19/11/677901911.db2.gz VZLGGINGZUGSOV-NXEZZACHSA-N 1 1 323.357 -2.466 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1=O ZINC001077994370 677902279 /nfs/dbraw/zinc/90/22/79/677902279.db2.gz FSKAKUXVVORHEY-NXEZZACHSA-N 1 1 314.342 -2.576 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001077981143 677902386 /nfs/dbraw/zinc/90/23/86/677902386.db2.gz ANJNDSQBBDQQES-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077981367 677902493 /nfs/dbraw/zinc/90/24/93/677902493.db2.gz KRMQALWSSAUREX-GMTAPVOTSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077981367 677902495 /nfs/dbraw/zinc/90/24/95/677902495.db2.gz KRMQALWSSAUREX-GMTAPVOTSA-N 1 1 300.359 -1.927 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1=O ZINC001077994723 677902502 /nfs/dbraw/zinc/90/25/02/677902502.db2.gz XKMIMPVIFNXMJL-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994737 677902636 /nfs/dbraw/zinc/90/26/36/677902636.db2.gz XZEZMBHEQNKWQH-IVZWLZJFSA-N 1 1 314.342 -2.578 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077998130 677903201 /nfs/dbraw/zinc/90/32/01/677903201.db2.gz IIUKAMIERLLMMT-RNFRBKRXSA-N 1 1 314.298 -2.336 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001077999694 677903291 /nfs/dbraw/zinc/90/32/91/677903291.db2.gz VYMUTVADTYATGL-FXBDTBDDSA-N 1 1 322.325 -2.427 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006298 677904302 /nfs/dbraw/zinc/90/43/02/677904302.db2.gz YSKDXNKRBVOMAP-IJLUTSLNSA-N 1 1 323.401 -1.787 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001078014312 677904934 /nfs/dbraw/zinc/90/49/34/677904934.db2.gz UBGQHSRCRFKAQX-IVZWLZJFSA-N 1 1 311.338 -1.049 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001078014313 677905151 /nfs/dbraw/zinc/90/51/51/677905151.db2.gz UBGQHSRCRFKAQX-OPRDCNLKSA-N 1 1 311.338 -1.049 20 0 DAADMO Cn1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001032782157 677905219 /nfs/dbraw/zinc/90/52/19/677905219.db2.gz WOYGTUULAOTMJQ-SRVKXCTJSA-N 1 1 305.386 -1.053 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001078021961 677905728 /nfs/dbraw/zinc/90/57/28/677905728.db2.gz PQTBVCTXVNFEAD-CHWSQXEVSA-N 1 1 322.365 -1.402 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001078020259 677905839 /nfs/dbraw/zinc/90/58/39/677905839.db2.gz HQPHAZSAIIEFEQ-MVWJERBFSA-N 1 1 309.370 -1.302 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001078020244 677905987 /nfs/dbraw/zinc/90/59/87/677905987.db2.gz GKVHMYIEOGLFFD-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078082423 677907725 /nfs/dbraw/zinc/90/77/25/677907725.db2.gz LMXVQBMOJYPCQO-YNEHKIRRSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)c(=O)n1C ZINC001078100318 677909543 /nfs/dbraw/zinc/90/95/43/677909543.db2.gz GHDVMLRCWFYLIX-CHWSQXEVSA-N 1 1 323.397 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c(=O)n1C ZINC001078100711 677909628 /nfs/dbraw/zinc/90/96/28/677909628.db2.gz LROFCUMVARNXQR-VXGBXAGGSA-N 1 1 309.370 -1.538 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078104562 677909703 /nfs/dbraw/zinc/90/97/03/677909703.db2.gz LRBHCNFYEHKWPK-UPJWGTAASA-N 1 1 317.361 -1.245 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001078104697 677909785 /nfs/dbraw/zinc/90/97/85/677909785.db2.gz RLCXXAACUJAPSF-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001078104697 677909788 /nfs/dbraw/zinc/90/97/88/677909788.db2.gz RLCXXAACUJAPSF-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)n1 ZINC001078099148 677909896 /nfs/dbraw/zinc/90/98/96/677909896.db2.gz WMBFYDCNIFEHBS-OASPWFOLSA-N 1 1 322.365 -1.403 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001078118464 677911314 /nfs/dbraw/zinc/91/13/14/677911314.db2.gz UATIDANHDKERDM-QWRGUYRKSA-N 1 1 324.385 -1.690 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078120464 677911580 /nfs/dbraw/zinc/91/15/80/677911580.db2.gz JWVQLENJVAEBTO-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078120464 677911582 /nfs/dbraw/zinc/91/15/82/677911582.db2.gz JWVQLENJVAEBTO-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@H]3O)nn21 ZINC001078120996 677912322 /nfs/dbraw/zinc/91/23/22/677912322.db2.gz KVOJHEDPQYJEFM-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@H]3O)nn21 ZINC001078120996 677912324 /nfs/dbraw/zinc/91/23/24/677912324.db2.gz KVOJHEDPQYJEFM-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1=O ZINC001078124394 677912894 /nfs/dbraw/zinc/91/28/94/677912894.db2.gz NUXBLYIQVYASLB-RKDXNWHRSA-N 1 1 314.342 -2.530 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)ccc1=O ZINC001078134200 677912906 /nfs/dbraw/zinc/91/29/06/677912906.db2.gz MIPCXWCDZUVLMD-RAIGVLPGSA-N 1 1 322.365 -1.408 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144222 677914036 /nfs/dbraw/zinc/91/40/36/677914036.db2.gz FIWIGUZHEDFGCZ-GMTAPVOTSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144545 677914149 /nfs/dbraw/zinc/91/41/49/677914149.db2.gz UXTWMYKYQVECOO-DJLDLDEBSA-N 1 1 300.315 -2.920 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001078144436 677914198 /nfs/dbraw/zinc/91/41/98/677914198.db2.gz OHRLJOLMRKHJLD-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001078144145 677914324 /nfs/dbraw/zinc/91/43/24/677914324.db2.gz AJVXDYFZTGERIU-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149510 677914652 /nfs/dbraw/zinc/91/46/52/677914652.db2.gz IPZDNSVUYGVTQJ-OPRDCNLKSA-N 1 1 323.353 -1.615 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149510 677914656 /nfs/dbraw/zinc/91/46/56/677914656.db2.gz IPZDNSVUYGVTQJ-OPRDCNLKSA-N 1 1 323.353 -1.615 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001078154472 677914761 /nfs/dbraw/zinc/91/47/61/677914761.db2.gz YKCGVAHQSVRPEU-GHMZBOCLSA-N 1 1 300.359 -2.069 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078146903 677914904 /nfs/dbraw/zinc/91/49/04/677914904.db2.gz GTQPRZXNWNYKSW-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146638 677914939 /nfs/dbraw/zinc/91/49/39/677914939.db2.gz RUSHNVKJHKNKPL-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078164553 677915043 /nfs/dbraw/zinc/91/50/43/677915043.db2.gz NDRWGCRJWRNMIO-GHMZBOCLSA-N 1 1 315.395 -1.238 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078150560 677915129 /nfs/dbraw/zinc/91/51/29/677915129.db2.gz FRCDNLPCPLZZRL-RKDXNWHRSA-N 1 1 311.317 -1.290 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078169941 677916032 /nfs/dbraw/zinc/91/60/32/677916032.db2.gz NOPKVHXVILCXRJ-FXBDTBDDSA-N 1 1 312.326 -2.358 20 0 DAADMO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001078171875 677916586 /nfs/dbraw/zinc/91/65/86/677916586.db2.gz ANOOYUJBYRSOBV-VXGBXAGGSA-N 1 1 319.427 -1.712 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001078171875 677916590 /nfs/dbraw/zinc/91/65/90/677916590.db2.gz ANOOYUJBYRSOBV-VXGBXAGGSA-N 1 1 319.427 -1.712 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174527 677916740 /nfs/dbraw/zinc/91/67/40/677916740.db2.gz OFQQMUWSVDEGGG-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174194 677916885 /nfs/dbraw/zinc/91/68/85/677916885.db2.gz DLKVTGHRRKEXQG-IJLUTSLNSA-N 1 1 309.370 -1.009 20 0 DAADMO Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078174195 677916913 /nfs/dbraw/zinc/91/69/13/677916913.db2.gz DLKVTGHRRKEXQG-QJPTWQEYSA-N 1 1 309.370 -1.009 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078173182 677917056 /nfs/dbraw/zinc/91/70/56/677917056.db2.gz KZJYYTDDJMGXOM-NXEZZACHSA-N 1 1 306.326 -2.180 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078173182 677917057 /nfs/dbraw/zinc/91/70/57/677917057.db2.gz KZJYYTDDJMGXOM-NXEZZACHSA-N 1 1 306.326 -2.180 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078183312 677917077 /nfs/dbraw/zinc/91/70/77/677917077.db2.gz LIFWMYKSGWCEJZ-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078173409 677917118 /nfs/dbraw/zinc/91/71/18/677917118.db2.gz XDMYJZOXWDBIHC-GHMZBOCLSA-N 1 1 320.353 -1.790 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001078183426 677917187 /nfs/dbraw/zinc/91/71/87/677917187.db2.gz PRVBRNJBOXTGSC-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001078183552 677917196 /nfs/dbraw/zinc/91/71/96/677917196.db2.gz XEYJNUZFZGREQU-GRYCIOLGSA-N 1 1 307.354 -1.759 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)[nH]1 ZINC001078183287 677917465 /nfs/dbraw/zinc/91/74/65/677917465.db2.gz KCEDTKSPSNTLAF-VXGBXAGGSA-N 1 1 319.369 -1.020 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194343 677917794 /nfs/dbraw/zinc/91/77/94/677917794.db2.gz FOJACCDLBOLMGW-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194343 677917798 /nfs/dbraw/zinc/91/77/98/677917798.db2.gz FOJACCDLBOLMGW-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194707 677918520 /nfs/dbraw/zinc/91/85/20/677918520.db2.gz WFARWWYLQXUENC-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001078182144 677918688 /nfs/dbraw/zinc/91/86/88/677918688.db2.gz HQMRWKSQOCTTIY-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078199586 677918713 /nfs/dbraw/zinc/91/87/13/677918713.db2.gz OCPWMGFQBIPGMB-IJLUTSLNSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078199586 677918716 /nfs/dbraw/zinc/91/87/16/677918716.db2.gz OCPWMGFQBIPGMB-IJLUTSLNSA-N 1 1 301.343 -2.613 20 0 DAADMO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001043123958 677918857 /nfs/dbraw/zinc/91/88/57/677918857.db2.gz KJWVEADSYTZKCO-UHFFFAOYSA-N 1 1 321.381 -1.263 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078213941 677919564 /nfs/dbraw/zinc/91/95/64/677919564.db2.gz JPCZPAGMSQNFOB-MVWJERBFSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078217837 677919702 /nfs/dbraw/zinc/91/97/02/677919702.db2.gz LHMQNQBMWWCCBN-GHMZBOCLSA-N 1 1 308.338 -1.662 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)C1 ZINC001078209962 677919723 /nfs/dbraw/zinc/91/97/23/677919723.db2.gz OSVWLLHAENLSJJ-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)C1 ZINC001078209962 677919726 /nfs/dbraw/zinc/91/97/26/677919726.db2.gz OSVWLLHAENLSJJ-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001078207054 677919864 /nfs/dbraw/zinc/91/98/64/677919864.db2.gz PAUMVPWDNWBSLL-JMJZKYOTSA-N 1 1 311.338 -1.097 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001078207054 677919865 /nfs/dbraw/zinc/91/98/65/677919865.db2.gz PAUMVPWDNWBSLL-JMJZKYOTSA-N 1 1 311.338 -1.097 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920097 /nfs/dbraw/zinc/92/00/97/677920097.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)C1 ZINC001078206008 677920099 /nfs/dbraw/zinc/92/00/99/677920099.db2.gz LRAOLIMUHRNOGL-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078202651 677920210 /nfs/dbraw/zinc/92/02/10/677920210.db2.gz BJANLVRSPCSCRQ-GHMZBOCLSA-N 1 1 309.370 -1.611 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)nn1 ZINC001078229584 677920358 /nfs/dbraw/zinc/92/03/58/677920358.db2.gz PCICVXULKGJIFD-ZYHUDNBSSA-N 1 1 322.369 -1.662 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001078228580 677920384 /nfs/dbraw/zinc/92/03/84/677920384.db2.gz WMJYJPKXZQNPMT-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078202952 677920535 /nfs/dbraw/zinc/92/05/35/677920535.db2.gz RDLRQYSKBNBYPR-VXGBXAGGSA-N 1 1 323.397 -1.221 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC001078201533 677920575 /nfs/dbraw/zinc/92/05/75/677920575.db2.gz ABNXLEVLXCBQSZ-CHWSQXEVSA-N 1 1 307.350 -1.187 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001078201533 677920579 /nfs/dbraw/zinc/92/05/79/677920579.db2.gz ABNXLEVLXCBQSZ-CHWSQXEVSA-N 1 1 307.350 -1.187 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946561004 677921160 /nfs/dbraw/zinc/92/11/60/677921160.db2.gz ISECRFBUZHDDIM-HZSPNIEDSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCCC1=O ZINC001078224764 677921282 /nfs/dbraw/zinc/92/12/82/677921282.db2.gz YKSKNKRSCVZEMA-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001078254986 677921649 /nfs/dbraw/zinc/92/16/49/677921649.db2.gz ZBMXULIGJCUXBB-CHWSQXEVSA-N 1 1 307.350 -1.518 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078272178 677921709 /nfs/dbraw/zinc/92/17/09/677921709.db2.gz KUXNFXKQXYUXIS-CHWSQXEVSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001078272178 677921710 /nfs/dbraw/zinc/92/17/10/677921710.db2.gz KUXNFXKQXYUXIS-CHWSQXEVSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078271974 677921768 /nfs/dbraw/zinc/92/17/68/677921768.db2.gz APEVHTGCMNTFQD-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078271974 677921771 /nfs/dbraw/zinc/92/17/71/677921771.db2.gz APEVHTGCMNTFQD-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273486 677922182 /nfs/dbraw/zinc/92/21/82/677922182.db2.gz TXXJSEPZQTZGRR-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273470 677922259 /nfs/dbraw/zinc/92/22/59/677922259.db2.gz SPFBZQVQFULIHE-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078267037 677923144 /nfs/dbraw/zinc/92/31/44/677923144.db2.gz QCXRKMXBLISLEQ-XXILOJSOSA-N 1 1 308.338 -1.664 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001078290874 677923512 /nfs/dbraw/zinc/92/35/12/677923512.db2.gz WXZQNJBJWYMELI-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078363085 677924019 /nfs/dbraw/zinc/92/40/19/677924019.db2.gz DTHDMCUMXOUFGM-VIFPVBQESA-N 1 1 311.346 -2.207 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 ZINC001078361612 677924035 /nfs/dbraw/zinc/92/40/35/677924035.db2.gz JKUQFWBWZBKENN-LLVKDONJSA-N 1 1 310.358 -1.602 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)n1 ZINC001078361544 677924044 /nfs/dbraw/zinc/92/40/44/677924044.db2.gz HRSAOOHTLGHWIJ-GFCCVEGCSA-N 1 1 324.385 -1.120 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078362739 677924066 /nfs/dbraw/zinc/92/40/66/677924066.db2.gz ZQZLLKSCMHCFLP-NSHDSACASA-N 1 1 324.385 -1.120 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)[nH]1 ZINC001078362302 677924234 /nfs/dbraw/zinc/92/42/34/677924234.db2.gz TWRFXVWZXMUWHI-JTQLQIEISA-N 1 1 310.358 -1.304 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424438 677925290 /nfs/dbraw/zinc/92/52/90/677925290.db2.gz UJPXCDALVUBRLM-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)nc1 ZINC001078457258 677925723 /nfs/dbraw/zinc/92/57/23/677925723.db2.gz SGYIHJBCDQHKRG-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1)c1nncn1C ZINC001078458194 677925751 /nfs/dbraw/zinc/92/57/51/677925751.db2.gz BJOQURVWWWNAGK-UWVGGRQHSA-N 1 1 310.358 -1.432 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078441408 677926438 /nfs/dbraw/zinc/92/64/38/677926438.db2.gz VBYKPFJWTMMZLZ-RYUDHWBXSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487332 677926451 /nfs/dbraw/zinc/92/64/51/677926451.db2.gz IXPKCVPTDCHXBB-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043430038 677932195 /nfs/dbraw/zinc/93/21/95/677932195.db2.gz CVFLONWKXZASGO-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043912117 677938070 /nfs/dbraw/zinc/93/80/70/677938070.db2.gz KAXJRZUHLYVWRG-NSHDSACASA-N 1 1 310.354 -1.084 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001003041693 677939074 /nfs/dbraw/zinc/93/90/74/677939074.db2.gz HDWVBKMDXONKQA-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC(N)=O)C1 ZINC001061453642 677950110 /nfs/dbraw/zinc/95/01/10/677950110.db2.gz WRLYJKGNOWFLIV-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061452516 677950815 /nfs/dbraw/zinc/95/08/15/677950815.db2.gz CRDZOSOOGWPCHP-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061456309 677951215 /nfs/dbraw/zinc/95/12/15/677951215.db2.gz ULARPZOUCORFTA-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@H](F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001044790565 677958577 /nfs/dbraw/zinc/95/85/77/677958577.db2.gz WDMGZGNRPJCEIQ-QWRGUYRKSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@H](F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001044790565 677958579 /nfs/dbraw/zinc/95/85/79/677958579.db2.gz WDMGZGNRPJCEIQ-QWRGUYRKSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CCCF)C2)C1 ZINC001044841840 677959890 /nfs/dbraw/zinc/95/98/90/677959890.db2.gz KJYQJUOIGUWGDV-NSHDSACASA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CCCF)C2)C1 ZINC001044841840 677959893 /nfs/dbraw/zinc/95/98/93/677959893.db2.gz KJYQJUOIGUWGDV-NSHDSACASA-N 1 1 317.361 -1.244 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061675082 677960716 /nfs/dbraw/zinc/96/07/16/677960716.db2.gz NKNKKXXCWHNIBW-SNVBAGLBSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061711927 677962219 /nfs/dbraw/zinc/96/22/19/677962219.db2.gz UCDULUSXHPPYOY-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045505204 677963552 /nfs/dbraw/zinc/96/35/52/677963552.db2.gz XQMZBDYNZLARSX-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061840845 677967100 /nfs/dbraw/zinc/96/71/00/677967100.db2.gz QIJDGNHIAMUVNR-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061841544 677969715 /nfs/dbraw/zinc/96/97/15/677969715.db2.gz CLQSRSYOAGVWMJ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061845192 677970750 /nfs/dbraw/zinc/97/07/50/677970750.db2.gz DRVLLGYAMYNDMT-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)CC[N@H+]1C ZINC001061848438 677971828 /nfs/dbraw/zinc/97/18/28/677971828.db2.gz YFNMNWQIKMYFDK-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)CC[N@H+]1C ZINC001061848439 677971841 /nfs/dbraw/zinc/97/18/41/677971841.db2.gz YFNMNWQIKMYFDK-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1ncc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001045710403 677972035 /nfs/dbraw/zinc/97/20/35/677972035.db2.gz NTUKTZNTUCDGNG-UHFFFAOYSA-N 1 1 309.370 -1.027 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001061919383 677974320 /nfs/dbraw/zinc/97/43/20/677974320.db2.gz LOGUHCBIXHSIHV-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CNC(N)=O)CCC1 ZINC001062490366 677979283 /nfs/dbraw/zinc/97/92/83/677979283.db2.gz ZJPCQVZWYRDBDU-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)CNC(N)=O)CCC2)C1 ZINC001062491751 677979435 /nfs/dbraw/zinc/97/94/35/677979435.db2.gz QMWUSNPNSRFBEC-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001062712791 677981537 /nfs/dbraw/zinc/98/15/37/677981537.db2.gz CWDKDRQERSLMRD-GHMZBOCLSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001062712794 677981644 /nfs/dbraw/zinc/98/16/44/677981644.db2.gz CWDKDRQERSLMRD-WDEREUQCSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001062712793 677981768 /nfs/dbraw/zinc/98/17/68/677981768.db2.gz CWDKDRQERSLMRD-QWRGUYRKSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)CC(N)=O)CCC2)C1 ZINC001062746437 677982693 /nfs/dbraw/zinc/98/26/93/677982693.db2.gz LFDGAZSFLGDOFQ-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)CC(N)=O)CCC2)C1 ZINC001062746437 677982696 /nfs/dbraw/zinc/98/26/96/677982696.db2.gz LFDGAZSFLGDOFQ-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001063147266 677986483 /nfs/dbraw/zinc/98/64/83/677986483.db2.gz ZSXRSUZXEHSTQS-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2(NC(=O)C(N)=O)CCC2)no1 ZINC001063539775 677988461 /nfs/dbraw/zinc/98/84/61/677988461.db2.gz ZTKBZONYGWGGJF-UHFFFAOYSA-N 1 1 323.353 -1.010 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001064273369 677994271 /nfs/dbraw/zinc/99/42/71/677994271.db2.gz XFNFEFMEFRDTJY-MNOVXSKESA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)C1 ZINC001064271553 677994397 /nfs/dbraw/zinc/99/43/97/677994397.db2.gz XJGAUZXTAFOCFZ-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001064978600 678008514 /nfs/dbraw/zinc/00/85/14/678008514.db2.gz VXZLDROZQGIBLK-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001064978598 678008862 /nfs/dbraw/zinc/00/88/62/678008862.db2.gz VXZLDROZQGIBLK-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998778 678009847 /nfs/dbraw/zinc/00/98/47/678009847.db2.gz LQEJZDFTTWZMFQ-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001079284182 678019739 /nfs/dbraw/zinc/01/97/39/678019739.db2.gz AVVULIDTAHJVOU-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079287909 678019966 /nfs/dbraw/zinc/01/99/66/678019966.db2.gz UWONUGIOXPQYCJ-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079291377 678020324 /nfs/dbraw/zinc/02/03/24/678020324.db2.gz SYKIWHUMZGWXEA-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079396796 678020971 /nfs/dbraw/zinc/02/09/71/678020971.db2.gz GIRFHYGIZJWPOY-CKYFFXLPSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079396796 678020973 /nfs/dbraw/zinc/02/09/73/678020973.db2.gz GIRFHYGIZJWPOY-CKYFFXLPSA-N 1 1 321.385 -1.223 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001079395866 678021005 /nfs/dbraw/zinc/02/10/05/678021005.db2.gz ZRYWWQSMZPLROI-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001079497911 678021467 /nfs/dbraw/zinc/02/14/67/678021467.db2.gz ANGNIKMIIGSHML-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526980 678022992 /nfs/dbraw/zinc/02/29/92/678022992.db2.gz YTIHPBUAKBXILS-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526980 678022993 /nfs/dbraw/zinc/02/29/93/678022993.db2.gz YTIHPBUAKBXILS-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602476 678023551 /nfs/dbraw/zinc/02/35/51/678023551.db2.gz OQLMPEWQYRQZEZ-BBBLOLIVSA-N 1 1 308.342 -1.691 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602476 678023553 /nfs/dbraw/zinc/02/35/53/678023553.db2.gz OQLMPEWQYRQZEZ-BBBLOLIVSA-N 1 1 308.342 -1.691 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001079629694 678023772 /nfs/dbraw/zinc/02/37/72/678023772.db2.gz QJQPRWWYJBSNRO-ZWNOBZJWSA-N 1 1 310.398 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)C1 ZINC001079629694 678023774 /nfs/dbraw/zinc/02/37/74/678023774.db2.gz QJQPRWWYJBSNRO-ZWNOBZJWSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602281 678023824 /nfs/dbraw/zinc/02/38/24/678023824.db2.gz GERAMEZZOUXROI-GMTAPVOTSA-N 1 1 322.369 -1.349 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660827 678024845 /nfs/dbraw/zinc/02/48/45/678024845.db2.gz DDEZIXSVRBKNFD-OPRDCNLKSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660827 678024847 /nfs/dbraw/zinc/02/48/47/678024847.db2.gz DDEZIXSVRBKNFD-OPRDCNLKSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704043 678025368 /nfs/dbraw/zinc/02/53/68/678025368.db2.gz GGRZDHZXDGIEMT-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704043 678025370 /nfs/dbraw/zinc/02/53/70/678025370.db2.gz GGRZDHZXDGIEMT-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704125 678025502 /nfs/dbraw/zinc/02/55/02/678025502.db2.gz KDUYXQCOQUNEMC-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704125 678025506 /nfs/dbraw/zinc/02/55/06/678025506.db2.gz KDUYXQCOQUNEMC-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001079704562 678025741 /nfs/dbraw/zinc/02/57/41/678025741.db2.gz GKMDAUCXFHKZJO-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079705254 678025748 /nfs/dbraw/zinc/02/57/48/678025748.db2.gz URFJSKYNGLUNII-CKYFFXLPSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079705254 678025750 /nfs/dbraw/zinc/02/57/50/678025750.db2.gz URFJSKYNGLUNII-CKYFFXLPSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079704818 678025804 /nfs/dbraw/zinc/02/58/04/678025804.db2.gz LAAJNSSMYMFSAA-OUAUKWLOSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079705324 678026088 /nfs/dbraw/zinc/02/60/88/678026088.db2.gz XLEXRBQMELHNEU-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001079805525 678027274 /nfs/dbraw/zinc/02/72/74/678027274.db2.gz USLZPOOHTVFLMW-GRYCIOLGSA-N 1 1 324.381 -1.636 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859155 678028284 /nfs/dbraw/zinc/02/82/84/678028284.db2.gz JIZXWJSGNMNIAM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859155 678028285 /nfs/dbraw/zinc/02/82/85/678028285.db2.gz JIZXWJSGNMNIAM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)c(=O)[nH]c1C ZINC001079940654 678029156 /nfs/dbraw/zinc/02/91/56/678029156.db2.gz XDZDERBHULODKD-GMSGAONNSA-N 1 1 307.354 -1.078 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)c(=O)[nH]c1C ZINC001079940654 678029160 /nfs/dbraw/zinc/02/91/60/678029160.db2.gz XDZDERBHULODKD-GMSGAONNSA-N 1 1 307.354 -1.078 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001079984877 678029856 /nfs/dbraw/zinc/02/98/56/678029856.db2.gz OPKLRWMLIJMHRG-GMTAPVOTSA-N 1 1 309.370 -1.025 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001080181772 678031663 /nfs/dbraw/zinc/03/16/63/678031663.db2.gz KPZBNURBWZLUPH-DVVUODLYSA-N 1 1 320.353 -1.713 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001080181772 678031667 /nfs/dbraw/zinc/03/16/67/678031667.db2.gz KPZBNURBWZLUPH-DVVUODLYSA-N 1 1 320.353 -1.713 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080257940 678032607 /nfs/dbraw/zinc/03/26/07/678032607.db2.gz HGYVWDDFYUERHW-MGPQQGTHSA-N 1 1 324.425 -1.109 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)c1C ZINC001080238062 678032716 /nfs/dbraw/zinc/03/27/16/678032716.db2.gz TYALCOLCPJCALM-LDYMZIIASA-N 1 1 321.381 -1.067 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)c1C ZINC001080238062 678032718 /nfs/dbraw/zinc/03/27/18/678032718.db2.gz TYALCOLCPJCALM-LDYMZIIASA-N 1 1 321.381 -1.067 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)nn1-c1nc[nH]n1 ZINC001080231183 678032725 /nfs/dbraw/zinc/03/27/25/678032725.db2.gz FUFLZFPSMCNKQY-PSASIEDQSA-N 1 1 320.357 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258028 678032792 /nfs/dbraw/zinc/03/27/92/678032792.db2.gz LSDVCVYAUXBCSH-IJLUTSLNSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258028 678032793 /nfs/dbraw/zinc/03/27/93/678032793.db2.gz LSDVCVYAUXBCSH-IJLUTSLNSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080257939 678032890 /nfs/dbraw/zinc/03/28/90/678032890.db2.gz HGYVWDDFYUERHW-HZSPNIEDSA-N 1 1 324.425 -1.109 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261129 678033147 /nfs/dbraw/zinc/03/31/47/678033147.db2.gz CSGRZVSJFLETCI-YUSALJHKSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261129 678033151 /nfs/dbraw/zinc/03/31/51/678033151.db2.gz CSGRZVSJFLETCI-YUSALJHKSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277373 678033187 /nfs/dbraw/zinc/03/31/87/678033187.db2.gz OCFXKVPGMLRUPF-KXUCPTDWSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277373 678033191 /nfs/dbraw/zinc/03/31/91/678033191.db2.gz OCFXKVPGMLRUPF-KXUCPTDWSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265264 678033288 /nfs/dbraw/zinc/03/32/88/678033288.db2.gz YICQUCWKBMPUBP-JLLWLGSASA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265264 678033289 /nfs/dbraw/zinc/03/32/89/678033289.db2.gz YICQUCWKBMPUBP-JLLWLGSASA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265051 678033500 /nfs/dbraw/zinc/03/35/00/678033500.db2.gz PJSQLBURJPQGTE-UTUOFQBUSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080359130 678033740 /nfs/dbraw/zinc/03/37/40/678033740.db2.gz AZNSSGYUVUTTNM-GMTAPVOTSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080359130 678033743 /nfs/dbraw/zinc/03/37/43/678033743.db2.gz AZNSSGYUVUTTNM-GMTAPVOTSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360914 678033758 /nfs/dbraw/zinc/03/37/58/678033758.db2.gz NFHYNLDNALFHEI-FBIMIBRVSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360914 678033760 /nfs/dbraw/zinc/03/37/60/678033760.db2.gz NFHYNLDNALFHEI-FBIMIBRVSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360690 678033899 /nfs/dbraw/zinc/03/38/99/678033899.db2.gz HBZJREKDPPXOSI-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360690 678033903 /nfs/dbraw/zinc/03/39/03/678033903.db2.gz HBZJREKDPPXOSI-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281220 678034009 /nfs/dbraw/zinc/03/40/09/678034009.db2.gz VNHXSJSJTISOIY-BBBLOLIVSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281220 678034011 /nfs/dbraw/zinc/03/40/11/678034011.db2.gz VNHXSJSJTISOIY-BBBLOLIVSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360819 678034050 /nfs/dbraw/zinc/03/40/50/678034050.db2.gz KMPJTZCDEAGJLH-YUSALJHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360819 678034052 /nfs/dbraw/zinc/03/40/52/678034052.db2.gz KMPJTZCDEAGJLH-YUSALJHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080362845 678034452 /nfs/dbraw/zinc/03/44/52/678034452.db2.gz FLXGNIIIMMYOFF-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001080452127 678036964 /nfs/dbraw/zinc/03/69/64/678036964.db2.gz CEIUCMYUQHZSIF-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001080452127 678036965 /nfs/dbraw/zinc/03/69/65/678036965.db2.gz CEIUCMYUQHZSIF-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001080597175 678037747 /nfs/dbraw/zinc/03/77/47/678037747.db2.gz TUMGFEGZNXUGJX-UTUOFQBUSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613875 678038163 /nfs/dbraw/zinc/03/81/63/678038163.db2.gz QEIRGRBBKQRRSC-WCABBAIRSA-N 1 1 324.381 -1.390 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613875 678038165 /nfs/dbraw/zinc/03/81/65/678038165.db2.gz QEIRGRBBKQRRSC-WCABBAIRSA-N 1 1 324.381 -1.390 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613874 678038578 /nfs/dbraw/zinc/03/85/78/678038578.db2.gz QEIRGRBBKQRRSC-FXPVBKGRSA-N 1 1 324.381 -1.390 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613874 678038581 /nfs/dbraw/zinc/03/85/81/678038581.db2.gz QEIRGRBBKQRRSC-FXPVBKGRSA-N 1 1 324.381 -1.390 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080634777 678039031 /nfs/dbraw/zinc/03/90/31/678039031.db2.gz KVYIRPORXNTEIO-IWSPIJDZSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080634777 678039035 /nfs/dbraw/zinc/03/90/35/678039035.db2.gz KVYIRPORXNTEIO-IWSPIJDZSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080634776 678039137 /nfs/dbraw/zinc/03/91/37/678039137.db2.gz KVYIRPORXNTEIO-HRDYMLBCSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080634776 678039140 /nfs/dbraw/zinc/03/91/40/678039140.db2.gz KVYIRPORXNTEIO-HRDYMLBCSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648530 678039400 /nfs/dbraw/zinc/03/94/00/678039400.db2.gz QABYPXYUKPTHRH-PSASIEDQSA-N 1 1 322.325 -1.329 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648530 678039403 /nfs/dbraw/zinc/03/94/03/678039403.db2.gz QABYPXYUKPTHRH-PSASIEDQSA-N 1 1 322.325 -1.329 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)n1 ZINC001080821377 678042115 /nfs/dbraw/zinc/04/21/15/678042115.db2.gz SZYPZRDDEXKMKK-YUSALJHKSA-N 1 1 321.381 -1.138 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)n1 ZINC001080821377 678042119 /nfs/dbraw/zinc/04/21/19/678042119.db2.gz SZYPZRDDEXKMKK-YUSALJHKSA-N 1 1 321.381 -1.138 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN(C(=O)C(N)=O)CC2)C1 ZINC001080865280 678042551 /nfs/dbraw/zinc/04/25/51/678042551.db2.gz PMPPSOJLDRUKGV-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001080872612 678042814 /nfs/dbraw/zinc/04/28/14/678042814.db2.gz BIPSESPOCYMIQZ-ZYHUDNBSSA-N 1 1 311.386 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001080869434 678042908 /nfs/dbraw/zinc/04/29/08/678042908.db2.gz KUKHKUMSMXRQOF-MWLCHTKSSA-N 1 1 324.385 -1.927 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001080869434 678042910 /nfs/dbraw/zinc/04/29/10/678042910.db2.gz KUKHKUMSMXRQOF-MWLCHTKSSA-N 1 1 324.385 -1.927 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869384 678042948 /nfs/dbraw/zinc/04/29/48/678042948.db2.gz JFDSQAJNWILTCH-WCABBAIRSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869384 678042952 /nfs/dbraw/zinc/04/29/52/678042952.db2.gz JFDSQAJNWILTCH-WCABBAIRSA-N 1 1 324.385 -1.799 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894556 678043158 /nfs/dbraw/zinc/04/31/58/678043158.db2.gz AHVUWGUWCHBCRK-JLLWLGSASA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894556 678043159 /nfs/dbraw/zinc/04/31/59/678043159.db2.gz AHVUWGUWCHBCRK-JLLWLGSASA-N 1 1 319.365 -1.281 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001080907720 678043410 /nfs/dbraw/zinc/04/34/10/678043410.db2.gz CSXOVRDUGZSYCC-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903167 678043444 /nfs/dbraw/zinc/04/34/44/678043444.db2.gz FDMICQKQRKHPMF-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080977194 678045735 /nfs/dbraw/zinc/04/57/35/678045735.db2.gz ACAYMHKHCGHOSM-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)C1 ZINC001080978690 678046265 /nfs/dbraw/zinc/04/62/65/678046265.db2.gz MUYODGJXYXOCCY-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001080960851 678046887 /nfs/dbraw/zinc/04/68/87/678046887.db2.gz IZPVPWHPUNBQLI-GMTAPVOTSA-N 1 1 305.400 -1.239 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080959440 678046894 /nfs/dbraw/zinc/04/68/94/678046894.db2.gz FKRBCXAWYULGPV-IWSPIJDZSA-N 1 1 304.372 -2.400 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080959440 678046896 /nfs/dbraw/zinc/04/68/96/678046896.db2.gz FKRBCXAWYULGPV-IWSPIJDZSA-N 1 1 304.372 -2.400 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011323 678046942 /nfs/dbraw/zinc/04/69/42/678046942.db2.gz UQTQTXOLEKJXNR-OUAUKWLOSA-N 1 1 323.397 -1.092 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011323 678046945 /nfs/dbraw/zinc/04/69/45/678046945.db2.gz UQTQTXOLEKJXNR-OUAUKWLOSA-N 1 1 323.397 -1.092 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC001080991160 678047280 /nfs/dbraw/zinc/04/72/80/678047280.db2.gz SCLHZIUYLLZDAS-GMTAPVOTSA-N 1 1 306.370 -1.238 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC001080991160 678047281 /nfs/dbraw/zinc/04/72/81/678047281.db2.gz SCLHZIUYLLZDAS-GMTAPVOTSA-N 1 1 306.370 -1.238 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996481 678047479 /nfs/dbraw/zinc/04/74/79/678047479.db2.gz WXVVFBMYDCCOIT-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)COC)C1 ZINC001081181612 678054849 /nfs/dbraw/zinc/05/48/49/678054849.db2.gz UOEVWZDGTGYXHL-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081331740 678064143 /nfs/dbraw/zinc/06/41/43/678064143.db2.gz QKQBSOAKFHXKOB-JHJVBQTASA-N 1 1 324.385 -1.085 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081368108 678071081 /nfs/dbraw/zinc/07/10/81/678071081.db2.gz KXFIFFRQYIHVLW-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081368269 678071120 /nfs/dbraw/zinc/07/11/20/678071120.db2.gz MJYHUNTZAFCMTN-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081372136 678072165 /nfs/dbraw/zinc/07/21/65/678072165.db2.gz XLSZUAKDINFKJH-WDEREUQCSA-N 1 1 323.353 -1.998 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@H](OC)C1 ZINC001081560475 678084272 /nfs/dbraw/zinc/08/42/72/678084272.db2.gz BPXRZGZDLAVEPV-FRRDWIJNSA-N 1 1 301.387 -1.221 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590025 678084405 /nfs/dbraw/zinc/08/44/05/678084405.db2.gz LUAGEFBXIFHYQB-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081550248 678087938 /nfs/dbraw/zinc/08/79/38/678087938.db2.gz GAKSAAWXNMQDHR-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081632458 678088870 /nfs/dbraw/zinc/08/88/70/678088870.db2.gz OVOLCDDHKSSKAN-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081632461 678088893 /nfs/dbraw/zinc/08/88/93/678088893.db2.gz OVOLCDDHKSSKAN-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081634005 678089278 /nfs/dbraw/zinc/08/92/78/678089278.db2.gz BGBKQWYDFPFGMP-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081590430 678089488 /nfs/dbraw/zinc/08/94/88/678089488.db2.gz RAQHACQNUXAZNC-PWSUYJOCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590430 678089490 /nfs/dbraw/zinc/08/94/90/678089490.db2.gz RAQHACQNUXAZNC-PWSUYJOCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590430 678089493 /nfs/dbraw/zinc/08/94/93/678089493.db2.gz RAQHACQNUXAZNC-PWSUYJOCSA-N 1 1 324.385 -1.306 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590879 678089728 /nfs/dbraw/zinc/08/97/28/678089728.db2.gz YAJZMRCILHKMMP-ONGXEEELSA-N 1 1 310.358 -1.695 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001081603246 678090235 /nfs/dbraw/zinc/09/02/35/678090235.db2.gz BWLUKADCUIJBLD-RYUDHWBXSA-N 1 1 310.354 -1.227 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081607287 678090490 /nfs/dbraw/zinc/09/04/90/678090490.db2.gz HJSFAPHIGWSPPU-OUAUKWLOSA-N 1 1 324.341 -1.798 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081607287 678090492 /nfs/dbraw/zinc/09/04/92/678090492.db2.gz HJSFAPHIGWSPPU-OUAUKWLOSA-N 1 1 324.341 -1.798 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001081653459 678091531 /nfs/dbraw/zinc/09/15/31/678091531.db2.gz OIAPDNCRJKSAJM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653459 678091533 /nfs/dbraw/zinc/09/15/33/678091533.db2.gz OIAPDNCRJKSAJM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653459 678091535 /nfs/dbraw/zinc/09/15/35/678091535.db2.gz OIAPDNCRJKSAJM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653459 678091536 /nfs/dbraw/zinc/09/15/36/678091536.db2.gz OIAPDNCRJKSAJM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653459 678091538 /nfs/dbraw/zinc/09/15/38/678091538.db2.gz OIAPDNCRJKSAJM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081652483 678091684 /nfs/dbraw/zinc/09/16/84/678091684.db2.gz BLWNGXUIMBNZHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081652483 678091689 /nfs/dbraw/zinc/09/16/89/678091689.db2.gz BLWNGXUIMBNZHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653149 678091864 /nfs/dbraw/zinc/09/18/64/678091864.db2.gz KLVFQPNLPRYTCH-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653149 678091866 /nfs/dbraw/zinc/09/18/66/678091866.db2.gz KLVFQPNLPRYTCH-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653149 678091869 /nfs/dbraw/zinc/09/18/69/678091869.db2.gz KLVFQPNLPRYTCH-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653149 678091870 /nfs/dbraw/zinc/09/18/70/678091870.db2.gz KLVFQPNLPRYTCH-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653149 678091873 /nfs/dbraw/zinc/09/18/73/678091873.db2.gz KLVFQPNLPRYTCH-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653546 678092703 /nfs/dbraw/zinc/09/27/03/678092703.db2.gz PSRWYKJMBRZOEO-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653546 678092706 /nfs/dbraw/zinc/09/27/06/678092706.db2.gz PSRWYKJMBRZOEO-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673727 678093444 /nfs/dbraw/zinc/09/34/44/678093444.db2.gz QDJNFFZYFULVQN-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081712718 678096348 /nfs/dbraw/zinc/09/63/48/678096348.db2.gz BTUDUOAUFNNTHU-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1)C1CCC1 ZINC001081716747 678099640 /nfs/dbraw/zinc/09/96/40/678099640.db2.gz RFXUAHGDAONJRH-MWLCHTKSSA-N 1 1 312.370 -2.109 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081718822 678100713 /nfs/dbraw/zinc/10/07/13/678100713.db2.gz IWMPUBNGKZCETF-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081773464 678103574 /nfs/dbraw/zinc/10/35/74/678103574.db2.gz BNOYIRPPAURAOQ-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081775255 678103896 /nfs/dbraw/zinc/10/38/96/678103896.db2.gz YMTMYUUWPJIORB-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081802957 678106542 /nfs/dbraw/zinc/10/65/42/678106542.db2.gz MNWQQGSZZPYKOR-GHMZBOCLSA-N 1 1 301.343 -2.347 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873345 678107101 /nfs/dbraw/zinc/10/71/01/678107101.db2.gz QOUABDOPVFNHBK-GMTAPVOTSA-N 1 1 313.358 -2.222 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001081902158 678107511 /nfs/dbraw/zinc/10/75/11/678107511.db2.gz FWNAJDQICDMEAH-UFGOTCBOSA-N 1 1 324.381 -1.066 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001081902270 678107620 /nfs/dbraw/zinc/10/76/20/678107620.db2.gz MYYLKQHMHROOHU-ZYHUDNBSSA-N 1 1 310.354 -1.455 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001081902270 678107621 /nfs/dbraw/zinc/10/76/21/678107621.db2.gz MYYLKQHMHROOHU-ZYHUDNBSSA-N 1 1 310.354 -1.455 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001081851188 678107675 /nfs/dbraw/zinc/10/76/75/678107675.db2.gz LHSJGRVVCKTLCO-CHWSQXEVSA-N 1 1 322.365 -1.469 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848292 678107682 /nfs/dbraw/zinc/10/76/82/678107682.db2.gz XCGNRSUMZIJIRT-DDHJBXDOSA-N 1 1 314.386 -1.994 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848292 678107683 /nfs/dbraw/zinc/10/76/83/678107683.db2.gz XCGNRSUMZIJIRT-DDHJBXDOSA-N 1 1 314.386 -1.994 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001081915517 678107963 /nfs/dbraw/zinc/10/79/63/678107963.db2.gz JXAOESOXWISHJL-QJPTWQEYSA-N 1 1 314.386 -1.415 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 ZINC001081892053 678108016 /nfs/dbraw/zinc/10/80/16/678108016.db2.gz JRBVSJZPLWNSDY-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001081941611 678108343 /nfs/dbraw/zinc/10/83/43/678108343.db2.gz RGPIBOWDEJTQQL-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001082023892 678108805 /nfs/dbraw/zinc/10/88/05/678108805.db2.gz ZFGROTXWCJASEQ-JHJVBQTASA-N 1 1 321.381 -1.165 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001082023321 678108829 /nfs/dbraw/zinc/10/88/29/678108829.db2.gz HGJLBUARRJOLIA-QJPTWQEYSA-N 1 1 322.369 -1.770 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001082023321 678108831 /nfs/dbraw/zinc/10/88/31/678108831.db2.gz HGJLBUARRJOLIA-QJPTWQEYSA-N 1 1 322.369 -1.770 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001081975145 678108957 /nfs/dbraw/zinc/10/89/57/678108957.db2.gz RDKRONWXBWBNTC-QJPTWQEYSA-N 1 1 323.353 -1.827 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082021217 678109495 /nfs/dbraw/zinc/10/94/95/678109495.db2.gz YDDFNHQOFWWJSN-GHMZBOCLSA-N 1 1 300.359 -2.774 20 0 DAADMO CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082020999 678109806 /nfs/dbraw/zinc/10/98/06/678109806.db2.gz NLUHNZZWJMDEOS-CHWSQXEVSA-N 1 1 312.414 -1.110 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083839 678110715 /nfs/dbraw/zinc/11/07/15/678110715.db2.gz YEQNILGSNWWXMG-IJLUTSLNSA-N 1 1 322.369 -1.620 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC001082087678 678111045 /nfs/dbraw/zinc/11/10/45/678111045.db2.gz FGSRVWXACSKNNJ-MGPQQGTHSA-N 1 1 321.377 -1.109 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001082156414 678112152 /nfs/dbraw/zinc/11/21/52/678112152.db2.gz HUUFTWKPJBVRGQ-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(C)cc1=O ZINC001082188701 678112347 /nfs/dbraw/zinc/11/23/47/678112347.db2.gz NLMVWIKCGYRWNW-CHWSQXEVSA-N 1 1 309.366 -1.036 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001082185155 678112413 /nfs/dbraw/zinc/11/24/13/678112413.db2.gz PYQMIGXJMZXPRI-HBNTYKKESA-N 1 1 310.354 -1.190 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001082224306 678112546 /nfs/dbraw/zinc/11/25/46/678112546.db2.gz CQCGZYCOHXCUHZ-MXWKQRLJSA-N 1 1 321.399 -2.172 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001082224306 678112548 /nfs/dbraw/zinc/11/25/48/678112548.db2.gz CQCGZYCOHXCUHZ-MXWKQRLJSA-N 1 1 321.399 -2.172 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082244629 678113136 /nfs/dbraw/zinc/11/31/36/678113136.db2.gz ARIKMFJDHIWJMG-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001082255228 678113437 /nfs/dbraw/zinc/11/34/37/678113437.db2.gz BPQVMTQRMNRQRG-NXEZZACHSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001082255228 678113438 /nfs/dbraw/zinc/11/34/38/678113438.db2.gz BPQVMTQRMNRQRG-NXEZZACHSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001082306609 678114053 /nfs/dbraw/zinc/11/40/53/678114053.db2.gz FQYIWXIWAHMXLL-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360865 678115774 /nfs/dbraw/zinc/11/57/74/678115774.db2.gz XKGGALCPIDWDKV-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374774 678116078 /nfs/dbraw/zinc/11/60/78/678116078.db2.gz PHKMNXDXDCDEOO-IVZWLZJFSA-N 1 1 307.372 -2.514 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001082371839 678116173 /nfs/dbraw/zinc/11/61/73/678116173.db2.gz FDJQTILEUQKKGH-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001082375317 678116253 /nfs/dbraw/zinc/11/62/53/678116253.db2.gz ONNJHAPYAXXMGE-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374678 678116271 /nfs/dbraw/zinc/11/62/71/678116271.db2.gz MGGISLILGIVDHC-HBNTYKKESA-N 1 1 323.390 -1.147 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1nc2ncccn2n1 ZINC001082368530 678116340 /nfs/dbraw/zinc/11/63/40/678116340.db2.gz GDSVRBBCBFXGAW-GHMZBOCLSA-N 1 1 320.353 -1.526 20 0 DAADMO CO[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368822 678116362 /nfs/dbraw/zinc/11/63/62/678116362.db2.gz OESQUPPAMUTBEJ-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001082382783 678116592 /nfs/dbraw/zinc/11/65/92/678116592.db2.gz UIACRARCPDCFIF-YNEHKIRRSA-N 1 1 323.397 -1.043 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001082393980 678116609 /nfs/dbraw/zinc/11/66/09/678116609.db2.gz NBTTUJAOLGMSJF-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)C1 ZINC001082377340 678116637 /nfs/dbraw/zinc/11/66/37/678116637.db2.gz MMQZOEVAXBJWPV-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082384060 678116755 /nfs/dbraw/zinc/11/67/55/678116755.db2.gz ATTUUBFXFJSODT-ZYHUDNBSSA-N 1 1 322.369 -1.398 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)C1 ZINC001082377339 678116798 /nfs/dbraw/zinc/11/67/98/678116798.db2.gz MMQZOEVAXBJWPV-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116869 /nfs/dbraw/zinc/11/68/69/678116869.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)C1 ZINC001082377117 678116870 /nfs/dbraw/zinc/11/68/70/678116870.db2.gz DCFOOHAZIWYVQV-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](OC)C1 ZINC001082385272 678116899 /nfs/dbraw/zinc/11/68/99/678116899.db2.gz NLVBGGHBXKFGQK-MWLCHTKSSA-N 1 1 310.358 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 ZINC001082402632 678117137 /nfs/dbraw/zinc/11/71/37/678117137.db2.gz YGRGOBFWYRJGNA-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001082395921 678117188 /nfs/dbraw/zinc/11/71/88/678117188.db2.gz XUOHRIPIJBHXKO-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001082395921 678117189 /nfs/dbraw/zinc/11/71/89/678117189.db2.gz XUOHRIPIJBHXKO-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H](C)N1CCOCC1 ZINC001082400304 678117198 /nfs/dbraw/zinc/11/71/98/678117198.db2.gz PUVKDWBLYOJGLA-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H](OC)C1 ZINC001082397221 678117210 /nfs/dbraw/zinc/11/72/10/678117210.db2.gz MVYNKFAGTUKCCX-GRYCIOLGSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082496996 678117518 /nfs/dbraw/zinc/11/75/18/678117518.db2.gz SPOFHNHDEUJTOI-BBBLOLIVSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082496964 678117628 /nfs/dbraw/zinc/11/76/28/678117628.db2.gz RUZWAQBSBMYVFX-BBBLOLIVSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NCc1nnn(C)n1 ZINC001082458336 678117754 /nfs/dbraw/zinc/11/77/54/678117754.db2.gz IYZRDKHFCZYFKM-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NCc1nnn(C)n1 ZINC001082458336 678117755 /nfs/dbraw/zinc/11/77/55/678117755.db2.gz IYZRDKHFCZYFKM-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082684590 678118914 /nfs/dbraw/zinc/11/89/14/678118914.db2.gz HBVIJZYHTHVFPZ-GMTAPVOTSA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082713635 678119191 /nfs/dbraw/zinc/11/91/91/678119191.db2.gz FGKZCAYZJZBYIV-DVVUODLYSA-N 1 1 307.358 -1.567 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C)[nH]1 ZINC001082713601 678119356 /nfs/dbraw/zinc/11/93/56/678119356.db2.gz DHVZAUQJSSWWGC-FKTZTGRPSA-N 1 1 307.358 -1.269 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082692900 678119368 /nfs/dbraw/zinc/11/93/68/678119368.db2.gz XQYSWQCPFXNREB-OUAUKWLOSA-N 1 1 321.385 -1.375 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]21 ZINC001082968915 678120146 /nfs/dbraw/zinc/12/01/46/678120146.db2.gz UROHGVAJYPTZKP-HZSPNIEDSA-N 1 1 324.381 -1.198 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082923486 678120170 /nfs/dbraw/zinc/12/01/70/678120170.db2.gz LMOAOZFGFWXUKZ-FRRDWIJNSA-N 1 1 312.414 -1.124 20 0 DAADMO O=C(C1=COCCO1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082990226 678120524 /nfs/dbraw/zinc/12/05/24/678120524.db2.gz SUWILYUOWBEEFG-SDDRHHMPSA-N 1 1 323.349 -1.325 20 0 DAADMO O=C(C1=COCCO1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082990226 678120525 /nfs/dbraw/zinc/12/05/25/678120525.db2.gz SUWILYUOWBEEFG-SDDRHHMPSA-N 1 1 323.349 -1.325 20 0 DAADMO O=C(C1CC1)N1CCO[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001082974583 678120588 /nfs/dbraw/zinc/12/05/88/678120588.db2.gz ZSVZDEQJMJVFMJ-NWDGAFQWSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(C1CC1)N1CCO[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001082974583 678120590 /nfs/dbraw/zinc/12/05/90/678120590.db2.gz ZSVZDEQJMJVFMJ-NWDGAFQWSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001082996282 678120599 /nfs/dbraw/zinc/12/05/99/678120599.db2.gz XJDQGEAMGPOOMX-FRRDWIJNSA-N 1 1 322.369 -1.379 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082995932 678120620 /nfs/dbraw/zinc/12/06/20/678120620.db2.gz DNXYGXZCZSSKMM-GRYCIOLGSA-N 1 1 310.358 -1.380 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083008769 678121000 /nfs/dbraw/zinc/12/10/00/678121000.db2.gz VMYIJMJDUASTBQ-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083008769 678121001 /nfs/dbraw/zinc/12/10/01/678121001.db2.gz VMYIJMJDUASTBQ-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083008769 678121002 /nfs/dbraw/zinc/12/10/02/678121002.db2.gz VMYIJMJDUASTBQ-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083008769 678121003 /nfs/dbraw/zinc/12/10/03/678121003.db2.gz VMYIJMJDUASTBQ-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083030189 678121237 /nfs/dbraw/zinc/12/12/37/678121237.db2.gz ZMTRYHITQCSTJI-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083030189 678121239 /nfs/dbraw/zinc/12/12/39/678121239.db2.gz ZMTRYHITQCSTJI-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083020232 678121273 /nfs/dbraw/zinc/12/12/73/678121273.db2.gz REBLOYSMLRCHSB-KGYLQXTDSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083020232 678121274 /nfs/dbraw/zinc/12/12/74/678121274.db2.gz REBLOYSMLRCHSB-KGYLQXTDSA-N 1 1 319.365 -1.166 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023518 678121285 /nfs/dbraw/zinc/12/12/85/678121285.db2.gz FXQXDYVVDQZSRY-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083030676 678121650 /nfs/dbraw/zinc/12/16/50/678121650.db2.gz YFLBBCHVVJONLU-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083031094 678121690 /nfs/dbraw/zinc/12/16/90/678121690.db2.gz PTSFJTZTWITDKH-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083031095 678121757 /nfs/dbraw/zinc/12/17/57/678121757.db2.gz PTSFJTZTWITDKH-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCOCC3)[C@H]2C1 ZINC001083054956 678122084 /nfs/dbraw/zinc/12/20/84/678122084.db2.gz KKHMAMUYKVJVQT-UONOGXRCSA-N 1 1 313.398 -1.123 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083032723 678122203 /nfs/dbraw/zinc/12/22/03/678122203.db2.gz KZASEOURLKZVDW-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083032723 678122206 /nfs/dbraw/zinc/12/22/06/678122206.db2.gz KZASEOURLKZVDW-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083032723 678122209 /nfs/dbraw/zinc/12/22/09/678122209.db2.gz KZASEOURLKZVDW-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083032723 678122211 /nfs/dbraw/zinc/12/22/11/678122211.db2.gz KZASEOURLKZVDW-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083055750 678122287 /nfs/dbraw/zinc/12/22/87/678122287.db2.gz DIIKYOVVWQCRCD-MELADBBJSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)cn3)[C@H]2C1 ZINC001083109517 678122603 /nfs/dbraw/zinc/12/26/03/678122603.db2.gz CRABSIYPABZRSS-WCFLWFBJSA-N 1 1 322.365 -1.314 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)c1N ZINC001083058155 678122809 /nfs/dbraw/zinc/12/28/09/678122809.db2.gz SLDUCWSYVHRDMJ-NWDGAFQWSA-N 1 1 309.370 -1.090 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)o3)[C@H]2C1 ZINC001083063587 678122845 /nfs/dbraw/zinc/12/28/45/678122845.db2.gz RGXHVXFTMAAILA-JFGNBEQYSA-N 1 1 311.338 -1.116 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001083083264 678122961 /nfs/dbraw/zinc/12/29/61/678122961.db2.gz LYFVOPAGEQAAGJ-RWMBFGLXSA-N 1 1 322.369 -1.379 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083238 678123306 /nfs/dbraw/zinc/12/33/06/678123306.db2.gz KLUCQNHSEQCZIG-GRYCIOLGSA-N 1 1 310.358 -1.380 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083127491 678123944 /nfs/dbraw/zinc/12/39/44/678123944.db2.gz QGYSDXHTZSSKTK-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1cnn(CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1=O ZINC001083125898 678123954 /nfs/dbraw/zinc/12/39/54/678123954.db2.gz MJICWWHEWDPYMC-WDEREUQCSA-N 1 1 311.342 -2.514 20 0 DAADMO Cn1cnn(CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1=O ZINC001083125898 678123955 /nfs/dbraw/zinc/12/39/55/678123955.db2.gz MJICWWHEWDPYMC-WDEREUQCSA-N 1 1 311.342 -2.514 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083134056 678123960 /nfs/dbraw/zinc/12/39/60/678123960.db2.gz FOORXVRTLHGARD-WDEREUQCSA-N 1 1 324.337 -2.147 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083134056 678123961 /nfs/dbraw/zinc/12/39/61/678123961.db2.gz FOORXVRTLHGARD-WDEREUQCSA-N 1 1 324.337 -2.147 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncn(C)c3=O)[C@H]2C1 ZINC001083125733 678124066 /nfs/dbraw/zinc/12/40/66/678124066.db2.gz DINGXVLXYWNNQU-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO O=C(CN1CCCCC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083129582 678124089 /nfs/dbraw/zinc/12/40/89/678124089.db2.gz SALLOZPIBVNULT-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CN1CCCCC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083129582 678124091 /nfs/dbraw/zinc/12/40/91/678124091.db2.gz SALLOZPIBVNULT-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO Cn1cnn(CC(=O)N2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)c1=O ZINC001083125921 678124111 /nfs/dbraw/zinc/12/41/11/678124111.db2.gz NKCAMKLHEVRFEW-QWHCGFSZSA-N 1 1 321.381 -1.097 20 0 DAADMO CCn1cc(CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)nn1 ZINC001083150900 678124322 /nfs/dbraw/zinc/12/43/22/678124322.db2.gz XNLUVCITVNQOCT-QWHCGFSZSA-N 1 1 309.370 -1.256 20 0 DAADMO CCn1cc(CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)nn1 ZINC001083150900 678124323 /nfs/dbraw/zinc/12/43/23/678124323.db2.gz XNLUVCITVNQOCT-QWHCGFSZSA-N 1 1 309.370 -1.256 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 ZINC001083143879 678124419 /nfs/dbraw/zinc/12/44/19/678124419.db2.gz FPZIARILSPALNX-FRRDWIJNSA-N 1 1 321.381 -1.023 20 0 DAADMO O=C(c1ccn2nnnc2c1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083161741 678124928 /nfs/dbraw/zinc/12/49/28/678124928.db2.gz RBPNJGFBRHSEMH-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(c1ccn2nnnc2c1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083161741 678124929 /nfs/dbraw/zinc/12/49/29/678124929.db2.gz RBPNJGFBRHSEMH-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083170547 678125291 /nfs/dbraw/zinc/12/52/91/678125291.db2.gz JDXFGPUVVDBRGN-XNBXPENISA-N 1 1 321.377 -1.321 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083170547 678125292 /nfs/dbraw/zinc/12/52/92/678125292.db2.gz JDXFGPUVVDBRGN-XNBXPENISA-N 1 1 321.377 -1.321 20 0 DAADMO NC(=O)Cc1occc1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083176727 678125349 /nfs/dbraw/zinc/12/53/49/678125349.db2.gz LBWWIYUXEJGJRC-WCQYABFASA-N 1 1 323.349 -1.175 20 0 DAADMO NC(=O)Cc1occc1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083176727 678125350 /nfs/dbraw/zinc/12/53/50/678125350.db2.gz LBWWIYUXEJGJRC-WCQYABFASA-N 1 1 323.349 -1.175 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cn1 ZINC001083180876 678125547 /nfs/dbraw/zinc/12/55/47/678125547.db2.gz DXHWXUOGUMKNFN-QWHCGFSZSA-N 1 1 321.381 -1.158 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cn1 ZINC001083180876 678125549 /nfs/dbraw/zinc/12/55/49/678125549.db2.gz DXHWXUOGUMKNFN-QWHCGFSZSA-N 1 1 321.381 -1.158 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)n1 ZINC001083180994 678125660 /nfs/dbraw/zinc/12/56/60/678125660.db2.gz JZICAAWRFRHASR-QWHCGFSZSA-N 1 1 321.381 -1.103 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)n1 ZINC001083180994 678125661 /nfs/dbraw/zinc/12/56/61/678125661.db2.gz JZICAAWRFRHASR-QWHCGFSZSA-N 1 1 321.381 -1.103 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181095 678125691 /nfs/dbraw/zinc/12/56/91/678125691.db2.gz OQBOGEHAHZPSPC-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181095 678125693 /nfs/dbraw/zinc/12/56/93/678125693.db2.gz OQBOGEHAHZPSPC-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]21 ZINC001083182060 678125856 /nfs/dbraw/zinc/12/58/56/678125856.db2.gz LBDMNCMOEDBBOC-SDDRHHMPSA-N 1 1 323.353 -2.359 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]21 ZINC001083182060 678125859 /nfs/dbraw/zinc/12/58/59/678125859.db2.gz LBDMNCMOEDBBOC-SDDRHHMPSA-N 1 1 323.353 -2.359 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065292370 678127161 /nfs/dbraw/zinc/12/71/61/678127161.db2.gz LYFGUEFGHZUPMK-SNVBAGLBSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065350437 678128086 /nfs/dbraw/zinc/12/80/86/678128086.db2.gz FKVCLOUTOMEVAM-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065350439 678128123 /nfs/dbraw/zinc/12/81/23/678128123.db2.gz FKVCLOUTOMEVAM-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065369353 678128628 /nfs/dbraw/zinc/12/86/28/678128628.db2.gz CVXORPISFVKRFR-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065406501 678129066 /nfs/dbraw/zinc/12/90/66/678129066.db2.gz KRULNNSNQCOMLV-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001065450479 678129832 /nfs/dbraw/zinc/12/98/32/678129832.db2.gz ZYAFROYVGPUNFC-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065549954 678131089 /nfs/dbraw/zinc/13/10/89/678131089.db2.gz ATHVUJBJCCRTHH-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001065571964 678133456 /nfs/dbraw/zinc/13/34/56/678133456.db2.gz GIZHIZZJMXRRTJ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001065571964 678133457 /nfs/dbraw/zinc/13/34/57/678133457.db2.gz GIZHIZZJMXRRTJ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065621847 678134918 /nfs/dbraw/zinc/13/49/18/678134918.db2.gz OMZJLDDFVZPOJU-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065620473 678135006 /nfs/dbraw/zinc/13/50/06/678135006.db2.gz FLACLYLYLUJUCM-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065621846 678135061 /nfs/dbraw/zinc/13/50/61/678135061.db2.gz OMZJLDDFVZPOJU-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041063957 678145980 /nfs/dbraw/zinc/14/59/80/678145980.db2.gz OVXJWEVKZYLBSQ-QMMMGPOBSA-N 1 1 307.297 -1.728 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041063957 678145981 /nfs/dbraw/zinc/14/59/81/678145981.db2.gz OVXJWEVKZYLBSQ-QMMMGPOBSA-N 1 1 307.297 -1.728 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001072068939 678152075 /nfs/dbraw/zinc/15/20/75/678152075.db2.gz DGJDKZOKSKLTAM-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001072068939 678152077 /nfs/dbraw/zinc/15/20/77/678152077.db2.gz DGJDKZOKSKLTAM-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCCO ZINC001072099929 678152528 /nfs/dbraw/zinc/15/25/28/678152528.db2.gz ZLLQDVAGMBFIHW-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072099715 678152570 /nfs/dbraw/zinc/15/25/70/678152570.db2.gz WKVQBVISTMDBDT-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCO ZINC001072098856 678152610 /nfs/dbraw/zinc/15/26/10/678152610.db2.gz HKODBKSDHCTURD-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072136073 678153274 /nfs/dbraw/zinc/15/32/74/678153274.db2.gz QSIPXLDAGICYNO-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072160476 678153401 /nfs/dbraw/zinc/15/34/01/678153401.db2.gz DYRQGYZCUDLXOP-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072162043 678153595 /nfs/dbraw/zinc/15/35/95/678153595.db2.gz UPDXOIBUKPFETQ-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001072286273 678155439 /nfs/dbraw/zinc/15/54/39/678155439.db2.gz IHSJTDFRIXKUQV-NEPJUHHUSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072283340 678155455 /nfs/dbraw/zinc/15/54/55/678155455.db2.gz QVXASCASMZCNTP-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451593 678156835 /nfs/dbraw/zinc/15/68/35/678156835.db2.gz OZHFEJZMJZNDQO-UHFFFAOYSA-N 1 1 317.357 -1.464 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451593 678156839 /nfs/dbraw/zinc/15/68/39/678156839.db2.gz OZHFEJZMJZNDQO-UHFFFAOYSA-N 1 1 317.357 -1.464 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCCC3=O)C2)C1 ZINC001072451265 678157050 /nfs/dbraw/zinc/15/70/50/678157050.db2.gz JVEUJQBNVGMZPC-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCCC3=O)C2)C1 ZINC001072451265 678157052 /nfs/dbraw/zinc/15/70/52/678157052.db2.gz JVEUJQBNVGMZPC-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)C1=O ZINC001072451952 678157057 /nfs/dbraw/zinc/15/70/57/678157057.db2.gz WJFMIJHZDAQCOO-NSHDSACASA-N 1 1 319.369 -1.562 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001072568175 678158705 /nfs/dbraw/zinc/15/87/05/678158705.db2.gz ITZFCAZGJSDKHD-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072577771 678159042 /nfs/dbraw/zinc/15/90/42/678159042.db2.gz BXOZJOHFRCHDCV-VXGBXAGGSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072577764 678159167 /nfs/dbraw/zinc/15/91/67/678159167.db2.gz BXOZJOHFRCHDCV-NEPJUHHUSA-N 1 1 310.398 -1.275 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072578253 678159243 /nfs/dbraw/zinc/15/92/43/678159243.db2.gz IMNQVTXQQUWAOP-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072578142 678159266 /nfs/dbraw/zinc/15/92/66/678159266.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072578142 678159268 /nfs/dbraw/zinc/15/92/68/678159268.db2.gz HKYKTGBYYORYEF-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577724 678159289 /nfs/dbraw/zinc/15/92/89/678159289.db2.gz AXELRASZJBICGY-STQMWFEESA-N 1 1 322.409 -1.260 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001072615189 678159809 /nfs/dbraw/zinc/15/98/09/678159809.db2.gz FZNUVICVTCUZFS-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CCOCC1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072630844 678159951 /nfs/dbraw/zinc/15/99/51/678159951.db2.gz CCYCSKVWVDFHHQ-CYBMUJFWSA-N 1 1 322.409 -1.259 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072646894 678161485 /nfs/dbraw/zinc/16/14/85/678161485.db2.gz NEHSXXIRMDBLSH-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645269 678161501 /nfs/dbraw/zinc/16/15/01/678161501.db2.gz GIJTWHSIAPBPJE-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645269 678161502 /nfs/dbraw/zinc/16/15/02/678161502.db2.gz GIJTWHSIAPBPJE-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645159 678161538 /nfs/dbraw/zinc/16/15/38/678161538.db2.gz COBIMIZVHSKNQU-RYUDHWBXSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645157 678161570 /nfs/dbraw/zinc/16/15/70/678161570.db2.gz COBIMIZVHSKNQU-NEPJUHHUSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647891 678161973 /nfs/dbraw/zinc/16/19/73/678161973.db2.gz FCQWMTRDLYKBGD-SNVBAGLBSA-N 1 1 322.369 -1.348 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686229 678162538 /nfs/dbraw/zinc/16/25/38/678162538.db2.gz GPUSRXRSJNTJCD-VHSXEESVSA-N 1 1 310.354 -1.107 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1)NC1CC1 ZINC001072686480 678162629 /nfs/dbraw/zinc/16/26/29/678162629.db2.gz NIPIHJCOLAWBEH-NSHDSACASA-N 1 1 322.365 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1)NC1CC1 ZINC001072686480 678162630 /nfs/dbraw/zinc/16/26/30/678162630.db2.gz NIPIHJCOLAWBEH-NSHDSACASA-N 1 1 322.365 -1.092 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4COC(=O)N4)C3)C2)C1=O ZINC001072686677 678162688 /nfs/dbraw/zinc/16/26/88/678162688.db2.gz SOJNQIAHJIFOIY-WDEREUQCSA-N 1 1 322.365 -1.140 20 0 DAADMO NC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760978 678163587 /nfs/dbraw/zinc/16/35/87/678163587.db2.gz XJHZGHIUEFIAPA-OLZOCXBDSA-N 1 1 322.409 -1.131 20 0 DAADMO NC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760980 678163601 /nfs/dbraw/zinc/16/36/01/678163601.db2.gz XJHZGHIUEFIAPA-STQMWFEESA-N 1 1 322.409 -1.131 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC3(C2)CC[N@@H+](CCF)C3)n1 ZINC001072752576 678163628 /nfs/dbraw/zinc/16/36/28/678163628.db2.gz QZDYXUFCCSFBOY-UHFFFAOYSA-N 1 1 310.333 -1.119 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795592 678164290 /nfs/dbraw/zinc/16/42/90/678164290.db2.gz YUAPYOOSVAJFBL-LLVKDONJSA-N 1 1 308.382 -1.255 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795592 678164291 /nfs/dbraw/zinc/16/42/91/678164291.db2.gz YUAPYOOSVAJFBL-LLVKDONJSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795542 678164306 /nfs/dbraw/zinc/16/43/06/678164306.db2.gz XIZWDBVKDAQNNU-MNOVXSKESA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CC1=O ZINC001072793906 678164368 /nfs/dbraw/zinc/16/43/68/678164368.db2.gz ACMOYHXLHZWBBG-VXGBXAGGSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072799988 678164515 /nfs/dbraw/zinc/16/45/15/678164515.db2.gz WSMGAGVPEWBMSX-UHFFFAOYSA-N 1 1 317.411 -1.452 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072780868 678164633 /nfs/dbraw/zinc/16/46/33/678164633.db2.gz SLZJXRGTUFPYFO-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818364 678164997 /nfs/dbraw/zinc/16/49/97/678164997.db2.gz XXPJIKSXMVGTCX-GFCCVEGCSA-N 1 1 311.382 -1.240 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822635 678165031 /nfs/dbraw/zinc/16/50/31/678165031.db2.gz QRALYAYDHRXVPM-IUCAKERBSA-N 1 1 323.353 -2.007 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072810102 678165129 /nfs/dbraw/zinc/16/51/29/678165129.db2.gz OWYKXBNMJGYDSB-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001072824997 678165191 /nfs/dbraw/zinc/16/51/91/678165191.db2.gz OWXWBPCTSFCNCR-UHFFFAOYSA-N 1 1 319.365 -1.326 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001072824997 678165193 /nfs/dbraw/zinc/16/51/93/678165193.db2.gz OWXWBPCTSFCNCR-UHFFFAOYSA-N 1 1 319.365 -1.326 20 0 DAADMO O=C(c1cn[nH]n1)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072888644 678165526 /nfs/dbraw/zinc/16/55/26/678165526.db2.gz SBRGXKLTRUEWHX-JTQLQIEISA-N 1 1 318.337 -1.242 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001072881033 678165571 /nfs/dbraw/zinc/16/55/71/678165571.db2.gz BFAWNZKACLAYNY-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001072881033 678165572 /nfs/dbraw/zinc/16/55/72/678165572.db2.gz BFAWNZKACLAYNY-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC1=O ZINC001072867729 678165600 /nfs/dbraw/zinc/16/56/00/678165600.db2.gz NNDBIWNEXMDBPC-UHFFFAOYSA-N 1 1 310.398 -1.713 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895032 678165694 /nfs/dbraw/zinc/16/56/94/678165694.db2.gz XVXAMLSIZDWZCB-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072929904 678166016 /nfs/dbraw/zinc/16/60/16/678166016.db2.gz XLBBBNXORIGCEF-WDEREUQCSA-N 1 1 321.381 -1.519 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072898887 678166106 /nfs/dbraw/zinc/16/61/06/678166106.db2.gz ZIITVFFMNSHTEF-UHFFFAOYSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072898887 678166109 /nfs/dbraw/zinc/16/61/09/678166109.db2.gz ZIITVFFMNSHTEF-UHFFFAOYSA-N 1 1 319.365 -1.243 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001072902815 678166308 /nfs/dbraw/zinc/16/63/08/678166308.db2.gz CBTDGXPKAWUSQQ-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC001072902815 678166309 /nfs/dbraw/zinc/16/63/09/678166309.db2.gz CBTDGXPKAWUSQQ-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931333 678166324 /nfs/dbraw/zinc/16/63/24/678166324.db2.gz COSGBVFYVYQNBA-UWVGGRQHSA-N 1 1 309.370 -1.663 20 0 DAADMO NC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001072936203 678166559 /nfs/dbraw/zinc/16/65/59/678166559.db2.gz UXPSUJKHRMRTLU-JTQLQIEISA-N 1 1 306.366 -1.325 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CNC(=O)N4)C3)C2)C1=O ZINC001072931450 678166701 /nfs/dbraw/zinc/16/67/01/678166701.db2.gz GMXHEHCERCPPRE-WDEREUQCSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072932500 678166741 /nfs/dbraw/zinc/16/67/41/678166741.db2.gz UWECKBGUGOPGGA-NSHDSACASA-N 1 1 319.369 -1.506 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC001072984951 678167126 /nfs/dbraw/zinc/16/71/26/678167126.db2.gz WUQAUXQEPNHBJJ-NEPJUHHUSA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC001072984951 678167127 /nfs/dbraw/zinc/16/71/27/678167127.db2.gz WUQAUXQEPNHBJJ-NEPJUHHUSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC001072986420 678167137 /nfs/dbraw/zinc/16/71/37/678167137.db2.gz VRMMGGWJIWYLAO-MNOVXSKESA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC001072986420 678167139 /nfs/dbraw/zinc/16/71/39/678167139.db2.gz VRMMGGWJIWYLAO-MNOVXSKESA-N 1 1 308.382 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001072952913 678167247 /nfs/dbraw/zinc/16/72/47/678167247.db2.gz DLNQNPLRUKLPCR-AWEZNQCLSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC001072952913 678167250 /nfs/dbraw/zinc/16/72/50/678167250.db2.gz DLNQNPLRUKLPCR-AWEZNQCLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977297 678167260 /nfs/dbraw/zinc/16/72/60/678167260.db2.gz VFSVAXPMDZCFDQ-GARJFASQSA-N 1 1 324.381 -1.573 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072986371 678167274 /nfs/dbraw/zinc/16/72/74/678167274.db2.gz SKCYMCKMKOWXQE-GRYCIOLGSA-N 1 1 320.393 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001072986477 678167765 /nfs/dbraw/zinc/16/77/65/678167765.db2.gz YNTGFRXTBJDPMS-NEPJUHHUSA-N 1 1 320.393 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001072986477 678167767 /nfs/dbraw/zinc/16/77/67/678167767.db2.gz YNTGFRXTBJDPMS-NEPJUHHUSA-N 1 1 320.393 -1.079 20 0 DAADMO Cn1ncc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)n1 ZINC001073055868 678167878 /nfs/dbraw/zinc/16/78/78/678167878.db2.gz CWAVUPAAVWHDRC-NSHDSACASA-N 1 1 304.354 -1.149 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077226 678168176 /nfs/dbraw/zinc/16/81/76/678168176.db2.gz LWNGFEFRVYEWDE-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(c1nc[nH]n1)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001073067473 678168230 /nfs/dbraw/zinc/16/82/30/678168230.db2.gz ZNKOZHSXVAAYLU-VIFPVBQESA-N 1 1 318.337 -1.242 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001073082253 678168243 /nfs/dbraw/zinc/16/82/43/678168243.db2.gz NQOWHLQEUPUJBD-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc(C(N)=O)c[nH]3)C2)C1 ZINC001073082253 678168244 /nfs/dbraw/zinc/16/82/44/678168244.db2.gz NQOWHLQEUPUJBD-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412746 678171181 /nfs/dbraw/zinc/17/11/81/678171181.db2.gz HAUKANPFILACTI-UHFFFAOYSA-N 1 1 323.353 -2.182 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412746 678171182 /nfs/dbraw/zinc/17/11/82/678171182.db2.gz HAUKANPFILACTI-UHFFFAOYSA-N 1 1 323.353 -2.182 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412393 678171209 /nfs/dbraw/zinc/17/12/09/678171209.db2.gz OEFXSUFKLPCTAK-QWRGUYRKSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073412399 678171253 /nfs/dbraw/zinc/17/12/53/678171253.db2.gz OJIDKMDAFIOTAQ-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CCF)C3)nn1 ZINC001073457286 678171297 /nfs/dbraw/zinc/17/12/97/678171297.db2.gz KDDFWWMQFOAEIM-UHFFFAOYSA-N 1 1 310.333 -1.119 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)nn1 ZINC001073457286 678171301 /nfs/dbraw/zinc/17/13/01/678171301.db2.gz KDDFWWMQFOAEIM-UHFFFAOYSA-N 1 1 310.333 -1.119 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412392 678171312 /nfs/dbraw/zinc/17/13/12/678171312.db2.gz OEFXSUFKLPCTAK-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073438831 678171396 /nfs/dbraw/zinc/17/13/96/678171396.db2.gz CETCAWQXFTXGLJ-NSHDSACASA-N 1 1 317.411 -1.405 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073412398 678171637 /nfs/dbraw/zinc/17/16/37/678171637.db2.gz OJIDKMDAFIOTAQ-LLVKDONJSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412535 678171666 /nfs/dbraw/zinc/17/16/66/678171666.db2.gz VQSWGLNQCAUFRQ-SECBINFHSA-N 1 1 323.353 -2.054 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)no1 ZINC001073423558 678171701 /nfs/dbraw/zinc/17/17/01/678171701.db2.gz SGYAKFLTKBAOJI-UHFFFAOYSA-N 1 1 321.337 -1.059 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)no1 ZINC001073423558 678171703 /nfs/dbraw/zinc/17/17/03/678171703.db2.gz SGYAKFLTKBAOJI-UHFFFAOYSA-N 1 1 321.337 -1.059 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073491985 678172062 /nfs/dbraw/zinc/17/20/62/678172062.db2.gz PWGWYMAYKYYRFF-VIFPVBQESA-N 1 1 308.338 -1.941 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073491985 678172064 /nfs/dbraw/zinc/17/20/64/678172064.db2.gz PWGWYMAYKYYRFF-VIFPVBQESA-N 1 1 308.338 -1.941 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073526666 678172756 /nfs/dbraw/zinc/17/27/56/678172756.db2.gz HYFSPTMRDIYPSQ-MNOVXSKESA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073526666 678172758 /nfs/dbraw/zinc/17/27/58/678172758.db2.gz HYFSPTMRDIYPSQ-MNOVXSKESA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073526668 678172819 /nfs/dbraw/zinc/17/28/19/678172819.db2.gz HYFSPTMRDIYPSQ-WDEREUQCSA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073526668 678172821 /nfs/dbraw/zinc/17/28/21/678172821.db2.gz HYFSPTMRDIYPSQ-WDEREUQCSA-N 1 1 313.354 -1.045 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1COCCO1 ZINC001073543821 678173240 /nfs/dbraw/zinc/17/32/40/678173240.db2.gz QDQRHPQQVPWTPP-OLZOCXBDSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561730 678173895 /nfs/dbraw/zinc/17/38/95/678173895.db2.gz AUIXMOBRPWYAEI-ZJUUUORDSA-N 1 1 322.369 -1.247 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561730 678173899 /nfs/dbraw/zinc/17/38/99/678173899.db2.gz AUIXMOBRPWYAEI-ZJUUUORDSA-N 1 1 322.369 -1.247 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073578828 678174016 /nfs/dbraw/zinc/17/40/16/678174016.db2.gz XEFQZIVNIAETSS-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073578830 678174033 /nfs/dbraw/zinc/17/40/33/678174033.db2.gz XEFQZIVNIAETSS-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588041 678174400 /nfs/dbraw/zinc/17/44/00/678174400.db2.gz YAFTTYJJYZLJHG-MNOVXSKESA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588041 678174403 /nfs/dbraw/zinc/17/44/03/678174403.db2.gz YAFTTYJJYZLJHG-MNOVXSKESA-N 1 1 324.385 -1.100 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590092 678174409 /nfs/dbraw/zinc/17/44/09/678174409.db2.gz XEYGDCPOLAVLCC-NXEZZACHSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590092 678174412 /nfs/dbraw/zinc/17/44/12/678174412.db2.gz XEYGDCPOLAVLCC-NXEZZACHSA-N 1 1 310.358 -1.490 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073591123 678174512 /nfs/dbraw/zinc/17/45/12/678174512.db2.gz DVCWVLFKSJDCSC-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073591123 678174513 /nfs/dbraw/zinc/17/45/13/678174513.db2.gz DVCWVLFKSJDCSC-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590843 678174614 /nfs/dbraw/zinc/17/46/14/678174614.db2.gz BPKVMNJIISPBGI-GHMZBOCLSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590843 678174616 /nfs/dbraw/zinc/17/46/16/678174616.db2.gz BPKVMNJIISPBGI-GHMZBOCLSA-N 1 1 324.385 -1.100 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001073589134 678174834 /nfs/dbraw/zinc/17/48/34/678174834.db2.gz KHXGCAOUIIKIMI-QWRGUYRKSA-N 1 1 301.343 -1.052 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590846 678174842 /nfs/dbraw/zinc/17/48/42/678174842.db2.gz BPKVMNJIISPBGI-QWRGUYRKSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590846 678174844 /nfs/dbraw/zinc/17/48/44/678174844.db2.gz BPKVMNJIISPBGI-QWRGUYRKSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591950 678175287 /nfs/dbraw/zinc/17/52/87/678175287.db2.gz UYMKKKQUWVUSSE-ZYHUDNBSSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591950 678175288 /nfs/dbraw/zinc/17/52/88/678175288.db2.gz UYMKKKQUWVUSSE-ZYHUDNBSSA-N 1 1 324.385 -1.100 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)nn1 ZINC001073591863 678175554 /nfs/dbraw/zinc/17/55/54/678175554.db2.gz RRQQSUSTGANGKO-PWSUYJOCSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)nn1 ZINC001073591863 678175558 /nfs/dbraw/zinc/17/55/58/678175558.db2.gz RRQQSUSTGANGKO-PWSUYJOCSA-N 1 1 322.369 -1.476 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642026 678176666 /nfs/dbraw/zinc/17/66/66/678176666.db2.gz GRQWYVNCMPBGGB-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073665626 678177009 /nfs/dbraw/zinc/17/70/09/678177009.db2.gz ZOHVPWROXXQTDG-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073660641 678177060 /nfs/dbraw/zinc/17/70/60/678177060.db2.gz KQRXBBOKSRXVGH-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)ncc1=O ZINC001073702952 678177906 /nfs/dbraw/zinc/17/79/06/678177906.db2.gz ALNNJQADBMYVNP-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703781 678177910 /nfs/dbraw/zinc/17/79/10/678177910.db2.gz XRTRTKNEIWOSBA-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073722846 678178308 /nfs/dbraw/zinc/17/83/08/678178308.db2.gz TXJIKCHQOKHTCE-QWRGUYRKSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073722846 678178312 /nfs/dbraw/zinc/17/83/12/678178312.db2.gz TXJIKCHQOKHTCE-QWRGUYRKSA-N 1 1 322.369 -1.178 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)c1ccn2nnnc2c1 ZINC001073723102 678178572 /nfs/dbraw/zinc/17/85/72/678178572.db2.gz ZVXGXWCTPKTCEL-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001073726321 678179067 /nfs/dbraw/zinc/17/90/67/678179067.db2.gz INCOZTYCNZLFDJ-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)NC1=O ZINC001073726979 678179089 /nfs/dbraw/zinc/17/90/89/678179089.db2.gz SJWQUEFYNSZKRH-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)NC1=O ZINC001073726414 678179302 /nfs/dbraw/zinc/17/93/02/678179302.db2.gz LEDOGGWRYWUFLH-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)[nH]1 ZINC001073766683 678179710 /nfs/dbraw/zinc/17/97/10/678179710.db2.gz LVOWKDSZNFNMPG-SNVBAGLBSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)[nH]1 ZINC001073766682 678179782 /nfs/dbraw/zinc/17/97/82/678179782.db2.gz LVOWKDSZNFNMPG-JTQLQIEISA-N 1 1 310.354 -1.073 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751809 678179950 /nfs/dbraw/zinc/17/99/50/678179950.db2.gz IRKUJZSYAAUOLW-WDEREUQCSA-N 1 1 300.359 -1.479 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751807 678180015 /nfs/dbraw/zinc/18/00/15/678180015.db2.gz IRKUJZSYAAUOLW-MNOVXSKESA-N 1 1 300.359 -1.479 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1CNC(=O)N1 ZINC001073752468 678180100 /nfs/dbraw/zinc/18/01/00/678180100.db2.gz XWLQBSQWOJGJJF-QWRGUYRKSA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)c1nc2ncccn2n1 ZINC001073823762 678180698 /nfs/dbraw/zinc/18/06/98/678180698.db2.gz JKHPCFOVEXATOP-NSHDSACASA-N 1 1 320.353 -1.063 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818537 678180796 /nfs/dbraw/zinc/18/07/96/678180796.db2.gz HAQSDZKIMPOCBW-PWSUYJOCSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818537 678180798 /nfs/dbraw/zinc/18/07/98/678180798.db2.gz HAQSDZKIMPOCBW-PWSUYJOCSA-N 1 1 324.385 -1.100 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818871 678180868 /nfs/dbraw/zinc/18/08/68/678180868.db2.gz RSNZVTNXLKVLNB-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818871 678180870 /nfs/dbraw/zinc/18/08/70/678180870.db2.gz RSNZVTNXLKVLNB-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073818089 678180929 /nfs/dbraw/zinc/18/09/29/678180929.db2.gz BZWAFMZDBSJMOU-ZYHUDNBSSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073818089 678180932 /nfs/dbraw/zinc/18/09/32/678180932.db2.gz BZWAFMZDBSJMOU-ZYHUDNBSSA-N 1 1 322.369 -1.476 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818873 678180937 /nfs/dbraw/zinc/18/09/37/678180937.db2.gz RSNZVTNXLKVLNB-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818873 678180940 /nfs/dbraw/zinc/18/09/40/678180940.db2.gz RSNZVTNXLKVLNB-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCF)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893057 678182850 /nfs/dbraw/zinc/18/28/50/678182850.db2.gz IYSLPDWXZINGMT-MNOVXSKESA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCF)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893057 678182851 /nfs/dbraw/zinc/18/28/51/678182851.db2.gz IYSLPDWXZINGMT-MNOVXSKESA-N 1 1 323.390 -1.145 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073893047 678182855 /nfs/dbraw/zinc/18/28/55/678182855.db2.gz ITSCOLMMQVBHCE-ZDUSSCGKSA-N 1 1 322.365 -1.007 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)ccc1=O ZINC001073880849 678183057 /nfs/dbraw/zinc/18/30/57/678183057.db2.gz VKPYYYUPUNWVNG-LBPRGKRZSA-N 1 1 324.381 -1.017 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001073893581 678183213 /nfs/dbraw/zinc/18/32/13/678183213.db2.gz WRRXCSQZKMOPMT-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001073905587 678183801 /nfs/dbraw/zinc/18/38/01/678183801.db2.gz JRIXUSHJRNOKTF-NSHDSACASA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001073905586 678183809 /nfs/dbraw/zinc/18/38/09/678183809.db2.gz JRIXUSHJRNOKTF-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073908416 678183821 /nfs/dbraw/zinc/18/38/21/678183821.db2.gz KPMNUZWUWDHYIE-NEPJUHHUSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)cn1 ZINC001073911128 678184106 /nfs/dbraw/zinc/18/41/06/678184106.db2.gz IKELUCYONDTCKO-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)CC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001073975929 678184822 /nfs/dbraw/zinc/18/48/22/678184822.db2.gz GTHZZXMTOLNDAW-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC001074015955 678184988 /nfs/dbraw/zinc/18/49/88/678184988.db2.gz YMDXYEPHOJMSLY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074160569 678186589 /nfs/dbraw/zinc/18/65/89/678186589.db2.gz UISCTGRZELZSIQ-NEPJUHHUSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074160569 678186592 /nfs/dbraw/zinc/18/65/92/678186592.db2.gz UISCTGRZELZSIQ-NEPJUHHUSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074160570 678186869 /nfs/dbraw/zinc/18/68/69/678186869.db2.gz UISCTGRZELZSIQ-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074160570 678186871 /nfs/dbraw/zinc/18/68/71/678186871.db2.gz UISCTGRZELZSIQ-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001074282963 678190295 /nfs/dbraw/zinc/19/02/95/678190295.db2.gz VQBROPONKYIXRJ-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 ZINC001074299772 678190284 /nfs/dbraw/zinc/19/02/84/678190284.db2.gz KHUJUQKNCQUMAT-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001074282963 678190297 /nfs/dbraw/zinc/19/02/97/678190297.db2.gz VQBROPONKYIXRJ-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001074282961 678190371 /nfs/dbraw/zinc/19/03/71/678190371.db2.gz VQBROPONKYIXRJ-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001074282961 678190374 /nfs/dbraw/zinc/19/03/74/678190374.db2.gz VQBROPONKYIXRJ-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001074314931 678190822 /nfs/dbraw/zinc/19/08/22/678190822.db2.gz NDUZZFRMCLWLSR-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001074314931 678190825 /nfs/dbraw/zinc/19/08/25/678190825.db2.gz NDUZZFRMCLWLSR-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001074314928 678190889 /nfs/dbraw/zinc/19/08/89/678190889.db2.gz NDUZZFRMCLWLSR-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001074314928 678190891 /nfs/dbraw/zinc/19/08/91/678190891.db2.gz NDUZZFRMCLWLSR-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400110 678193954 /nfs/dbraw/zinc/19/39/54/678193954.db2.gz OWJKKMHWFDMRAV-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400110 678193956 /nfs/dbraw/zinc/19/39/56/678193956.db2.gz OWJKKMHWFDMRAV-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074633649 678198779 /nfs/dbraw/zinc/19/87/79/678198779.db2.gz XDGWTVBRUFBCOT-XHNCKOQMSA-N 1 1 309.330 -1.603 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074633648 678198884 /nfs/dbraw/zinc/19/88/84/678198884.db2.gz XDGWTVBRUFBCOT-CIUDSAMLSA-N 1 1 309.330 -1.603 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001074675769 678199596 /nfs/dbraw/zinc/19/95/96/678199596.db2.gz JMHWOLUHZDUGAR-DCAQKATOSA-N 1 1 321.385 -1.233 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)C1 ZINC001074702845 678202458 /nfs/dbraw/zinc/20/24/58/678202458.db2.gz PPSXURSWRIHPPI-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798539 678204535 /nfs/dbraw/zinc/20/45/35/678204535.db2.gz OTMWUDUCDMVUOE-GARJFASQSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798682 678204690 /nfs/dbraw/zinc/20/46/90/678204690.db2.gz UFSSVYUYBHBNKQ-ZMLRMANQSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798359 678204732 /nfs/dbraw/zinc/20/47/32/678204732.db2.gz IXEJGNBTTRZMHG-GARJFASQSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001074884650 678205642 /nfs/dbraw/zinc/20/56/42/678205642.db2.gz LWYNYVJRBLBFKN-JXUBOQSCSA-N 1 1 307.358 -1.590 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074844638 678205759 /nfs/dbraw/zinc/20/57/59/678205759.db2.gz OXPHSVQVSNAJTH-LPEHRKFASA-N 1 1 307.358 -1.425 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001020306807 678218363 /nfs/dbraw/zinc/21/83/63/678218363.db2.gz PPQJDRYXLIHNLS-XYPYZODXSA-N 1 1 317.353 -1.041 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001020327902 678218372 /nfs/dbraw/zinc/21/83/72/678218372.db2.gz LPHZQVJEHVJDNT-MGCOHNPYSA-N 1 1 321.341 -1.290 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)cc1=O ZINC001038362291 678219388 /nfs/dbraw/zinc/21/93/88/678219388.db2.gz BVGITBUXQIHDJB-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)cc1=O ZINC001038362291 678219391 /nfs/dbraw/zinc/21/93/91/678219391.db2.gz BVGITBUXQIHDJB-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038622518 678219944 /nfs/dbraw/zinc/21/99/44/678219944.db2.gz MSJONKUVSQLLDH-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038622518 678219946 /nfs/dbraw/zinc/21/99/46/678219946.db2.gz MSJONKUVSQLLDH-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039896 678221123 /nfs/dbraw/zinc/22/11/23/678221123.db2.gz QDFDAFCBYARJSU-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039896 678221128 /nfs/dbraw/zinc/22/11/28/678221128.db2.gz QDFDAFCBYARJSU-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001038921659 678221383 /nfs/dbraw/zinc/22/13/83/678221383.db2.gz MUCCTODIACCASD-RKDXNWHRSA-N 1 1 306.326 -1.398 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039043827 678222111 /nfs/dbraw/zinc/22/21/11/678222111.db2.gz OCFVCCSSROUDFI-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)C1 ZINC001039049316 678222126 /nfs/dbraw/zinc/22/21/26/678222126.db2.gz VUTNDLAVQCJXIM-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)C1 ZINC001039049316 678222127 /nfs/dbraw/zinc/22/21/27/678222127.db2.gz VUTNDLAVQCJXIM-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001039416950 678222292 /nfs/dbraw/zinc/22/22/92/678222292.db2.gz PFZKBVWHAHVUHM-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001039416950 678222293 /nfs/dbraw/zinc/22/22/93/678222293.db2.gz PFZKBVWHAHVUHM-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nnnc1C[N@H+](CC1CC1)C1CCN(C(=O)C(N)=O)CC1 ZINC001039488689 678222776 /nfs/dbraw/zinc/22/27/76/678222776.db2.gz YJQVVMQDWIMPMJ-UHFFFAOYSA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnnc1C[N@@H+](CC1CC1)C1CCN(C(=O)C(N)=O)CC1 ZINC001039488689 678222777 /nfs/dbraw/zinc/22/27/77/678222777.db2.gz YJQVVMQDWIMPMJ-UHFFFAOYSA-N 1 1 321.385 -1.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)n1 ZINC001039592770 678223838 /nfs/dbraw/zinc/22/38/38/678223838.db2.gz YLHMQMZHKUHGQQ-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)n1 ZINC001039592770 678223841 /nfs/dbraw/zinc/22/38/41/678223841.db2.gz YLHMQMZHKUHGQQ-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cnon3)C2)C1 ZINC001039759869 678228647 /nfs/dbraw/zinc/22/86/47/678228647.db2.gz CLLCTADAWPHEQB-HZMBPMFUSA-N 1 1 323.353 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001039755936 678228721 /nfs/dbraw/zinc/22/87/21/678228721.db2.gz BNWCOUZSYLXSIB-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039946242 678230812 /nfs/dbraw/zinc/23/08/12/678230812.db2.gz JQLAYJAVJZRJSF-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039946242 678230815 /nfs/dbraw/zinc/23/08/15/678230815.db2.gz JQLAYJAVJZRJSF-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060858 678231768 /nfs/dbraw/zinc/23/17/68/678231768.db2.gz YSBBQTVNKBNZFN-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060858 678231771 /nfs/dbraw/zinc/23/17/71/678231771.db2.gz YSBBQTVNKBNZFN-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001040116870 678233035 /nfs/dbraw/zinc/23/30/35/678233035.db2.gz FTVGKKXZJPANOT-UKRRQHHQSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269066 678237227 /nfs/dbraw/zinc/23/72/27/678237227.db2.gz NYNLVUPIDXJVMM-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269066 678237229 /nfs/dbraw/zinc/23/72/29/678237229.db2.gz NYNLVUPIDXJVMM-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269066 678237231 /nfs/dbraw/zinc/23/72/31/678237231.db2.gz NYNLVUPIDXJVMM-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040332807 678238836 /nfs/dbraw/zinc/23/88/36/678238836.db2.gz PMXIWOFNGGSTRU-INIZCTEOSA-N 1 1 324.425 -1.275 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC001040328844 678238908 /nfs/dbraw/zinc/23/89/08/678238908.db2.gz QUWCPKMZJGWJSV-ABAIWWIYSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC001040328844 678238910 /nfs/dbraw/zinc/23/89/10/678238910.db2.gz QUWCPKMZJGWJSV-ABAIWWIYSA-N 1 1 323.397 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040352065 678239329 /nfs/dbraw/zinc/23/93/29/678239329.db2.gz OTCGPIAQADGAJV-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001040363439 678239389 /nfs/dbraw/zinc/23/93/89/678239389.db2.gz HGUJHERHEYINPY-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040352064 678239474 /nfs/dbraw/zinc/23/94/74/678239474.db2.gz OTCGPIAQADGAJV-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040360098 678239548 /nfs/dbraw/zinc/23/95/48/678239548.db2.gz KKPLRSXSLIUDRE-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040363707 678239569 /nfs/dbraw/zinc/23/95/69/678239569.db2.gz IDGYGXYFGKNDDP-YGRLFVJLSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040363707 678239571 /nfs/dbraw/zinc/23/95/71/678239571.db2.gz IDGYGXYFGKNDDP-YGRLFVJLSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C(=O)N1CC[C@](O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001040457269 678241109 /nfs/dbraw/zinc/24/11/09/678241109.db2.gz JBESZASFAGWBOW-GJZGRUSLSA-N 1 1 324.381 -1.963 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040447911 678241227 /nfs/dbraw/zinc/24/12/27/678241227.db2.gz UZMVLDPOCJIOKL-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040518882 678243241 /nfs/dbraw/zinc/24/32/41/678243241.db2.gz GVSPUJVZUFHHIF-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001040545709 678243248 /nfs/dbraw/zinc/24/32/48/678243248.db2.gz YSDKTBGBPBPDGD-QMTHXVAHSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001040545709 678243250 /nfs/dbraw/zinc/24/32/50/678243250.db2.gz YSDKTBGBPBPDGD-QMTHXVAHSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040742794 678250858 /nfs/dbraw/zinc/25/08/58/678250858.db2.gz IFRCPEUYNMYOMG-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040756568 678255448 /nfs/dbraw/zinc/25/54/48/678255448.db2.gz WOPQSFZCWDJHPX-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001040797416 678256090 /nfs/dbraw/zinc/25/60/90/678256090.db2.gz GFLCJGPHKWJZEB-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800233 678256853 /nfs/dbraw/zinc/25/68/53/678256853.db2.gz DEIARXWYCKEDJW-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040903879 678257347 /nfs/dbraw/zinc/25/73/47/678257347.db2.gz GASVLYLSIXAPST-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001040969542 678259871 /nfs/dbraw/zinc/25/98/71/678259871.db2.gz ZZYVZQWTOZGPOC-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001040973231 678260562 /nfs/dbraw/zinc/26/05/62/678260562.db2.gz QQJPQGMYNNQNDP-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001040973231 678260565 /nfs/dbraw/zinc/26/05/65/678260565.db2.gz QQJPQGMYNNQNDP-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041050472 678262511 /nfs/dbraw/zinc/26/25/11/678262511.db2.gz IYLVGFISOJZJDM-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041050472 678262517 /nfs/dbraw/zinc/26/25/17/678262517.db2.gz IYLVGFISOJZJDM-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001041053703 678263142 /nfs/dbraw/zinc/26/31/42/678263142.db2.gz MFOSNMGCWDQCDR-RISCZKNCSA-N 1 1 319.369 -1.514 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052033 678263222 /nfs/dbraw/zinc/26/32/22/678263222.db2.gz CWWCXVIIEMRWGH-AWEZNQCLSA-N 1 1 321.385 -1.314 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041087131 678264146 /nfs/dbraw/zinc/26/41/46/678264146.db2.gz JPMYFBUGGONLNG-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041087131 678264150 /nfs/dbraw/zinc/26/41/50/678264150.db2.gz JPMYFBUGGONLNG-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)C1 ZINC001041099865 678264600 /nfs/dbraw/zinc/26/46/00/678264600.db2.gz STOMKHKFBXXXTE-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)C1 ZINC001041099865 678264604 /nfs/dbraw/zinc/26/46/04/678264604.db2.gz STOMKHKFBXXXTE-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)O1 ZINC001041096889 678264718 /nfs/dbraw/zinc/26/47/18/678264718.db2.gz SKZCMTCKYKRAJS-ZYHUDNBSSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)O1 ZINC001041096889 678264721 /nfs/dbraw/zinc/26/47/21/678264721.db2.gz SKZCMTCKYKRAJS-ZYHUDNBSSA-N 1 1 311.382 -1.195 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041151775 678266481 /nfs/dbraw/zinc/26/64/81/678266481.db2.gz SLDHGJZPWBBRAZ-JTQLQIEISA-N 1 1 301.343 -2.347 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041151775 678266482 /nfs/dbraw/zinc/26/64/82/678266482.db2.gz SLDHGJZPWBBRAZ-JTQLQIEISA-N 1 1 301.343 -2.347 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041151909 678266601 /nfs/dbraw/zinc/26/66/01/678266601.db2.gz HWLQAMILMLTZLR-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041151909 678266604 /nfs/dbraw/zinc/26/66/04/678266604.db2.gz HWLQAMILMLTZLR-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167787 678268397 /nfs/dbraw/zinc/26/83/97/678268397.db2.gz RNEVKIYAQYYZEO-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168111 678268984 /nfs/dbraw/zinc/26/89/84/678268984.db2.gz UGIMNFYCVBEXHD-DOMZBBRYSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168112 678269043 /nfs/dbraw/zinc/26/90/43/678269043.db2.gz UGIMNFYCVBEXHD-IUODEOHRSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001041196404 678269845 /nfs/dbraw/zinc/26/98/45/678269845.db2.gz SGLDGDKYCZHEBY-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041219185 678271795 /nfs/dbraw/zinc/27/17/95/678271795.db2.gz LWCIYBCXBIAHBC-AWEZNQCLSA-N 1 1 322.369 -1.346 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041229150 678271815 /nfs/dbraw/zinc/27/18/15/678271815.db2.gz STPKPRSKANDVCD-QMTHXVAHSA-N 1 1 322.369 -1.218 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001041237932 678271891 /nfs/dbraw/zinc/27/18/91/678271891.db2.gz CCCGLICCWLKPKG-IINYFYTJSA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041229151 678272078 /nfs/dbraw/zinc/27/20/78/678272078.db2.gz STPKPRSKANDVCD-YGRLFVJLSA-N 1 1 322.369 -1.218 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041219186 678272130 /nfs/dbraw/zinc/27/21/30/678272130.db2.gz LWCIYBCXBIAHBC-CQSZACIVSA-N 1 1 322.369 -1.346 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287223 678274115 /nfs/dbraw/zinc/27/41/15/678274115.db2.gz AGENDWCCKLEMSP-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3nnn(C)n3)C2)nc(C)[nH+]1 ZINC001041290518 678274328 /nfs/dbraw/zinc/27/43/28/678274328.db2.gz SDRUTRPJGXFYTH-NXEZZACHSA-N 1 1 318.341 -1.404 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041289869 678274369 /nfs/dbraw/zinc/27/43/69/678274369.db2.gz MJTLWOPGYWEJNE-AWEZNQCLSA-N 1 1 321.385 -1.314 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)n1 ZINC001041302135 678274861 /nfs/dbraw/zinc/27/48/61/678274861.db2.gz UJFODZOQBWLRRR-AWEZNQCLSA-N 1 1 322.369 -1.706 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001041308810 678275547 /nfs/dbraw/zinc/27/55/47/678275547.db2.gz GRMQDXOJSHWTKE-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001041355450 678280150 /nfs/dbraw/zinc/28/01/50/678280150.db2.gz XHWGAHIUBFZYOT-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001041355451 678280273 /nfs/dbraw/zinc/28/02/73/678280273.db2.gz XHWGAHIUBFZYOT-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041368301 678280967 /nfs/dbraw/zinc/28/09/67/678280967.db2.gz LMERCDMCSKJINX-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1=O ZINC001041369778 678281193 /nfs/dbraw/zinc/28/11/93/678281193.db2.gz CAHXHUWDVPEVLI-HNNXBMFYSA-N 1 1 319.365 -1.196 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001041378527 678281630 /nfs/dbraw/zinc/28/16/30/678281630.db2.gz KJWNRCGSRKHKNE-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041384035 678282549 /nfs/dbraw/zinc/28/25/49/678282549.db2.gz ARWDHUMWTIUGSH-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041388778 678283695 /nfs/dbraw/zinc/28/36/95/678283695.db2.gz ZSOFDBBPTCPHIN-UHFFFAOYSA-N 1 1 324.341 -2.451 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041404027 678284895 /nfs/dbraw/zinc/28/48/95/678284895.db2.gz XGTRCEZALZBYAX-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001041412376 678286024 /nfs/dbraw/zinc/28/60/24/678286024.db2.gz AAGCBBHBWGVLBT-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001041422768 678286316 /nfs/dbraw/zinc/28/63/16/678286316.db2.gz QBYQQMGSAQINMC-CQSZACIVSA-N 1 1 309.370 -1.502 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)CC1=O ZINC001041418448 678286348 /nfs/dbraw/zinc/28/63/48/678286348.db2.gz KRDQEUOCPSCZJE-INIZCTEOSA-N 1 1 324.425 -1.323 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)c1=O ZINC001041423206 678286667 /nfs/dbraw/zinc/28/66/67/678286667.db2.gz SZYHIVBDCKMAAD-CQSZACIVSA-N 1 1 322.369 -2.009 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001041432165 678287164 /nfs/dbraw/zinc/28/71/64/678287164.db2.gz OSTSOTBBANPWRQ-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccoc3)C2)C1 ZINC001041456874 678288024 /nfs/dbraw/zinc/28/80/24/678288024.db2.gz YVJSAPCDDYDFBI-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccoc3)C2)C1 ZINC001041456874 678288025 /nfs/dbraw/zinc/28/80/25/678288025.db2.gz YVJSAPCDDYDFBI-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccoc3)C2)C1 ZINC001041456875 678288091 /nfs/dbraw/zinc/28/80/91/678288091.db2.gz YVJSAPCDDYDFBI-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccoc3)C2)C1 ZINC001041456875 678288094 /nfs/dbraw/zinc/28/80/94/678288094.db2.gz YVJSAPCDDYDFBI-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041565678 678291085 /nfs/dbraw/zinc/29/10/85/678291085.db2.gz YBOBQZKJKILYGS-CQSZACIVSA-N 1 1 321.385 -1.164 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1=O ZINC001041569729 678291145 /nfs/dbraw/zinc/29/11/45/678291145.db2.gz MFITWVIOSBXLCY-NHYWBVRUSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041563825 678291245 /nfs/dbraw/zinc/29/12/45/678291245.db2.gz LTVFCROJTRBMIM-TVQRCGJNSA-N 1 1 307.358 -1.378 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041574931 678291965 /nfs/dbraw/zinc/29/19/65/678291965.db2.gz YBXFYLWQJIPOAQ-YGRLFVJLSA-N 1 1 321.385 -1.117 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001041609854 678294243 /nfs/dbraw/zinc/29/42/43/678294243.db2.gz HCFKFSAESWIIIZ-CQSZACIVSA-N 1 1 305.338 -1.207 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001041609852 678294259 /nfs/dbraw/zinc/29/42/59/678294259.db2.gz HCFKFSAESWIIIZ-AWEZNQCLSA-N 1 1 305.338 -1.207 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041623128 678294658 /nfs/dbraw/zinc/29/46/58/678294658.db2.gz LUDSUPUEDKLEJR-OTYXRUKQSA-N 1 1 308.338 -1.799 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001041617748 678295034 /nfs/dbraw/zinc/29/50/34/678295034.db2.gz RVKJXRLWOGKHDZ-HNNXBMFYSA-N 1 1 324.381 -1.745 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041623130 678295106 /nfs/dbraw/zinc/29/51/06/678295106.db2.gz LUDSUPUEDKLEJR-YMTOWFKASA-N 1 1 308.338 -1.799 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041666851 678297535 /nfs/dbraw/zinc/29/75/35/678297535.db2.gz BBFKDNIKHAXKME-ZYHUDNBSSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041664339 678297602 /nfs/dbraw/zinc/29/76/02/678297602.db2.gz VCPLAXOSIODZCO-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)O1 ZINC001041675604 678297880 /nfs/dbraw/zinc/29/78/80/678297880.db2.gz QFTVDLLDRYCACQ-ZOWXZIJZSA-N 1 1 311.382 -1.064 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041676628 678297899 /nfs/dbraw/zinc/29/78/99/678297899.db2.gz YUKVSMIXNJLVGR-RWSFTLGLSA-N 1 1 324.381 -1.571 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)O1 ZINC001041675602 678297978 /nfs/dbraw/zinc/29/79/78/678297978.db2.gz QFTVDLLDRYCACQ-YWPYICTPSA-N 1 1 311.382 -1.064 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001041683981 678298007 /nfs/dbraw/zinc/29/80/07/678298007.db2.gz YTIOLHRDOHTOOB-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041700291 678299659 /nfs/dbraw/zinc/29/96/59/678299659.db2.gz ZLXMQKBNJJHABO-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041700291 678299663 /nfs/dbraw/zinc/29/96/63/678299663.db2.gz ZLXMQKBNJJHABO-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041717165 678300608 /nfs/dbraw/zinc/30/06/08/678300608.db2.gz LTBBGVGLCNPJDQ-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744194 678301129 /nfs/dbraw/zinc/30/11/29/678301129.db2.gz YGFRNIISSPPOGA-NHYWBVRUSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041742461 678301226 /nfs/dbraw/zinc/30/12/26/678301226.db2.gz CDFWPKXNXPGQEM-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757179 678301549 /nfs/dbraw/zinc/30/15/49/678301549.db2.gz PXUDYHGBRCMZEC-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757178 678301625 /nfs/dbraw/zinc/30/16/25/678301625.db2.gz PXUDYHGBRCMZEC-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041754060 678301719 /nfs/dbraw/zinc/30/17/19/678301719.db2.gz KWEBPMPFUYFMEZ-QWRGUYRKSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041754060 678301721 /nfs/dbraw/zinc/30/17/21/678301721.db2.gz KWEBPMPFUYFMEZ-QWRGUYRKSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041754062 678301746 /nfs/dbraw/zinc/30/17/46/678301746.db2.gz KWEBPMPFUYFMEZ-WDEREUQCSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041754062 678301748 /nfs/dbraw/zinc/30/17/48/678301748.db2.gz KWEBPMPFUYFMEZ-WDEREUQCSA-N 1 1 315.370 -1.959 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041774972 678303011 /nfs/dbraw/zinc/30/30/11/678303011.db2.gz BGVBIVSLELEPBW-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO Cn1nc(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)ccc1=O ZINC001041818825 678303948 /nfs/dbraw/zinc/30/39/48/678303948.db2.gz UTXLFRMDLMGOBO-HNNXBMFYSA-N 1 1 319.365 -1.196 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041819498 678304128 /nfs/dbraw/zinc/30/41/28/678304128.db2.gz HJUMIZYAPDHPSO-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041823742 678304288 /nfs/dbraw/zinc/30/42/88/678304288.db2.gz OXFLRYZCSKFGAD-HNNXBMFYSA-N 1 1 322.365 -1.455 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041819304 678304297 /nfs/dbraw/zinc/30/42/97/678304297.db2.gz DXUIXKKFWQTCKR-CQSZACIVSA-N 1 1 323.353 -2.052 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001041856174 678305282 /nfs/dbraw/zinc/30/52/82/678305282.db2.gz AHDILFIICIPZJZ-XHDPSFHLSA-N 1 1 323.397 -1.061 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001041873300 678305606 /nfs/dbraw/zinc/30/56/06/678305606.db2.gz CPIUYVSYAPPHFL-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001041873297 678305722 /nfs/dbraw/zinc/30/57/22/678305722.db2.gz CPIUYVSYAPPHFL-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1nccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001041898014 678307118 /nfs/dbraw/zinc/30/71/18/678307118.db2.gz SXGCXVPMDGSLQU-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001041898011 678307354 /nfs/dbraw/zinc/30/73/54/678307354.db2.gz SXGCXVPMDGSLQU-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001041984080 678309054 /nfs/dbraw/zinc/30/90/54/678309054.db2.gz HAGOEBSUFOAZLM-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)C1 ZINC001042033105 678311318 /nfs/dbraw/zinc/31/13/18/678311318.db2.gz QPAPESALRQROOU-DGCLKSJQSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)C1 ZINC001042033105 678311324 /nfs/dbraw/zinc/31/13/24/678311324.db2.gz QPAPESALRQROOU-DGCLKSJQSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042047612 678311998 /nfs/dbraw/zinc/31/19/98/678311998.db2.gz VSGUIXITFAWGDZ-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042047612 678312001 /nfs/dbraw/zinc/31/20/01/678312001.db2.gz VSGUIXITFAWGDZ-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)n1 ZINC001042066886 678312668 /nfs/dbraw/zinc/31/26/68/678312668.db2.gz LKISQLURVZRQSS-GHMZBOCLSA-N 1 1 322.369 -1.708 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042077773 678313585 /nfs/dbraw/zinc/31/35/85/678313585.db2.gz PCYMSVPDXRRVJO-ZYHUDNBSSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042077773 678313587 /nfs/dbraw/zinc/31/35/87/678313587.db2.gz PCYMSVPDXRRVJO-ZYHUDNBSSA-N 1 1 302.396 -1.054 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 ZINC001042091695 678314220 /nfs/dbraw/zinc/31/42/20/678314220.db2.gz FEERMFQRRMVTRW-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001042092783 678314458 /nfs/dbraw/zinc/31/44/58/678314458.db2.gz QQVSOUJXVDMDSV-MNOVXSKESA-N 1 1 324.381 -1.951 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 ZINC001042099031 678315046 /nfs/dbraw/zinc/31/50/46/678315046.db2.gz YZHFXXMSBNGJDC-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001042097729 678315119 /nfs/dbraw/zinc/31/51/19/678315119.db2.gz JBQBPECASXWSIU-LLVKDONJSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001042098366 678315128 /nfs/dbraw/zinc/31/51/28/678315128.db2.gz QQVSOUJXVDMDSV-QWRGUYRKSA-N 1 1 324.381 -1.951 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001042103400 678315253 /nfs/dbraw/zinc/31/52/53/678315253.db2.gz CYQJVDYYGBLEQN-SNVBAGLBSA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001042097788 678315282 /nfs/dbraw/zinc/31/52/82/678315282.db2.gz JSCYTJLOVPMGLK-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccnn2)C1 ZINC001042097790 678315300 /nfs/dbraw/zinc/31/53/00/678315300.db2.gz JSCYTJLOVPMGLK-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042098863 678315317 /nfs/dbraw/zinc/31/53/17/678315317.db2.gz XPMAYNIYLSEMAI-JTQLQIEISA-N 1 1 312.370 -2.094 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098785 678315536 /nfs/dbraw/zinc/31/55/36/678315536.db2.gz SLFTYBKKJIJHPT-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098785 678315537 /nfs/dbraw/zinc/31/55/37/678315537.db2.gz SLFTYBKKJIJHPT-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001042104303 678315735 /nfs/dbraw/zinc/31/57/35/678315735.db2.gz NJMQWRNORLQVLN-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001042104304 678315780 /nfs/dbraw/zinc/31/57/80/678315780.db2.gz NJMQWRNORLQVLN-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001042105294 678315862 /nfs/dbraw/zinc/31/58/62/678315862.db2.gz YNBIDYXHEZYICA-VIFPVBQESA-N 1 1 323.357 -2.393 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001042105108 678315898 /nfs/dbraw/zinc/31/58/98/678315898.db2.gz WJFBVYOFBWRMCL-SNVBAGLBSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001042105108 678315901 /nfs/dbraw/zinc/31/59/01/678315901.db2.gz WJFBVYOFBWRMCL-SNVBAGLBSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001042104676 678315946 /nfs/dbraw/zinc/31/59/46/678315946.db2.gz QYUFUGRNPWJBSX-JTQLQIEISA-N 1 1 324.381 -1.964 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001042105288 678316010 /nfs/dbraw/zinc/31/60/10/678316010.db2.gz YLBFHDSJUNAOAG-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001042105117 678316060 /nfs/dbraw/zinc/31/60/60/678316060.db2.gz WOXHGHPKIGOOSB-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042105228 678316230 /nfs/dbraw/zinc/31/62/30/678316230.db2.gz XKQVIBZDPPFIKQ-SNVBAGLBSA-N 1 1 322.369 -1.490 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)c1=O ZINC001042121982 678316516 /nfs/dbraw/zinc/31/65/16/678316516.db2.gz KTSPZHJVVKOHAV-GHMZBOCLSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)c1=O ZINC001042121982 678316521 /nfs/dbraw/zinc/31/65/21/678316521.db2.gz KTSPZHJVVKOHAV-GHMZBOCLSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)c1=O ZINC001042121986 678316632 /nfs/dbraw/zinc/31/66/32/678316632.db2.gz KTSPZHJVVKOHAV-QWRGUYRKSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)c1=O ZINC001042121986 678316635 /nfs/dbraw/zinc/31/66/35/678316635.db2.gz KTSPZHJVVKOHAV-QWRGUYRKSA-N 1 1 322.369 -2.010 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182024 678317690 /nfs/dbraw/zinc/31/76/90/678317690.db2.gz BLRZGQSLVIWCHK-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182024 678317694 /nfs/dbraw/zinc/31/76/94/678317694.db2.gz BLRZGQSLVIWCHK-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182019 678317829 /nfs/dbraw/zinc/31/78/29/678317829.db2.gz BLRZGQSLVIWCHK-NEPJUHHUSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182019 678317830 /nfs/dbraw/zinc/31/78/30/678317830.db2.gz BLRZGQSLVIWCHK-NEPJUHHUSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001042206035 678318144 /nfs/dbraw/zinc/31/81/44/678318144.db2.gz CGHKUGMGAIVJJV-MWLCHTKSSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001042206035 678318149 /nfs/dbraw/zinc/31/81/49/678318149.db2.gz CGHKUGMGAIVJJV-MWLCHTKSSA-N 1 1 305.338 -1.208 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042189625 678318263 /nfs/dbraw/zinc/31/82/63/678318263.db2.gz JCMQKSIPLAGUKU-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042189625 678318265 /nfs/dbraw/zinc/31/82/65/678318265.db2.gz JCMQKSIPLAGUKU-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001042212124 678319037 /nfs/dbraw/zinc/31/90/37/678319037.db2.gz ZSYRERACNSZQCW-MNOVXSKESA-N 1 1 309.370 -1.580 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216623 678319905 /nfs/dbraw/zinc/31/99/05/678319905.db2.gz IIIMBJDDIXIWSM-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1)C1CCC1 ZINC001042223663 678321366 /nfs/dbraw/zinc/32/13/66/678321366.db2.gz QNSZKMHQHXNYNQ-UHFFFAOYSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042226608 678321984 /nfs/dbraw/zinc/32/19/84/678321984.db2.gz BYKFPVWZILOEFO-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042272573 678323768 /nfs/dbraw/zinc/32/37/68/678323768.db2.gz OHOBLYZQUVRGJM-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042269252 678323845 /nfs/dbraw/zinc/32/38/45/678323845.db2.gz FCPHSCDKXTYCDU-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042271894 678323887 /nfs/dbraw/zinc/32/38/87/678323887.db2.gz HQPALJKRVHYKJW-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042287829 678324441 /nfs/dbraw/zinc/32/44/41/678324441.db2.gz NXOZTBCSCAWYQF-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042287829 678324443 /nfs/dbraw/zinc/32/44/43/678324443.db2.gz NXOZTBCSCAWYQF-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001042294567 678324548 /nfs/dbraw/zinc/32/45/48/678324548.db2.gz GGSLINOFHLHDLR-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001042294567 678324552 /nfs/dbraw/zinc/32/45/52/678324552.db2.gz GGSLINOFHLHDLR-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccoc3)C2)C1 ZINC001042295044 678324607 /nfs/dbraw/zinc/32/46/07/678324607.db2.gz KBQXDUFYAUUWMV-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccoc3)C2)C1 ZINC001042295044 678324610 /nfs/dbraw/zinc/32/46/10/678324610.db2.gz KBQXDUFYAUUWMV-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccoc3)C2)C1 ZINC001042295047 678324661 /nfs/dbraw/zinc/32/46/61/678324661.db2.gz KBQXDUFYAUUWMV-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccoc3)C2)C1 ZINC001042295047 678324663 /nfs/dbraw/zinc/32/46/63/678324663.db2.gz KBQXDUFYAUUWMV-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001042300634 678325103 /nfs/dbraw/zinc/32/51/03/678325103.db2.gz XTSSCFLZNGWIAY-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001042300634 678325106 /nfs/dbraw/zinc/32/51/06/678325106.db2.gz XTSSCFLZNGWIAY-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C/C=C(/C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042300620 678325470 /nfs/dbraw/zinc/32/54/70/678325470.db2.gz XAWHJFPBNSTLNW-MCWZUMHDSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(/C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042300620 678325472 /nfs/dbraw/zinc/32/54/72/678325472.db2.gz XAWHJFPBNSTLNW-MCWZUMHDSA-N 1 1 311.382 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC=CC3)C2)C1 ZINC001042300507 678325509 /nfs/dbraw/zinc/32/55/09/678325509.db2.gz VZMSHMMZFNWTIR-CYBMUJFWSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC=CC3)C2)C1 ZINC001042300507 678325512 /nfs/dbraw/zinc/32/55/12/678325512.db2.gz VZMSHMMZFNWTIR-CYBMUJFWSA-N 1 1 323.393 -1.027 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)C1=O ZINC001042311112 678325621 /nfs/dbraw/zinc/32/56/21/678325621.db2.gz FYHQLMHCTBXUQJ-RYUDHWBXSA-N 1 1 324.381 -1.205 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)c(=O)n1C ZINC001042333367 678325906 /nfs/dbraw/zinc/32/59/06/678325906.db2.gz OALHUTKCKWPNKT-OLZOCXBDSA-N 1 1 323.397 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)/C=C\C3CC3)C2)C1 ZINC001042312153 678326137 /nfs/dbraw/zinc/32/61/37/678326137.db2.gz JVLBMVWLIVQGLZ-ZFDPJTLLSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)/C=C\C3CC3)C2)C1 ZINC001042312153 678326142 /nfs/dbraw/zinc/32/61/42/678326142.db2.gz JVLBMVWLIVQGLZ-ZFDPJTLLSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)/C=C/C3CC3)C2)C1 ZINC001042312151 678326247 /nfs/dbraw/zinc/32/62/47/678326247.db2.gz JVLBMVWLIVQGLZ-MUBLQREKSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)/C=C/C3CC3)C2)C1 ZINC001042312151 678326250 /nfs/dbraw/zinc/32/62/50/678326250.db2.gz JVLBMVWLIVQGLZ-MUBLQREKSA-N 1 1 323.393 -1.027 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042344771 678326462 /nfs/dbraw/zinc/32/64/62/678326462.db2.gz AQNTXYXBUIZBDI-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042344768 678326533 /nfs/dbraw/zinc/32/65/33/678326533.db2.gz AQNTXYXBUIZBDI-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042346730 678326789 /nfs/dbraw/zinc/32/67/89/678326789.db2.gz WBSAZBPNFBGFOA-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042346731 678326859 /nfs/dbraw/zinc/32/68/59/678326859.db2.gz WBSAZBPNFBGFOA-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)nn1 ZINC001042368962 678327348 /nfs/dbraw/zinc/32/73/48/678327348.db2.gz UDAQLWUSVMHBNW-JQWIXIFHSA-N 1 1 322.369 -1.708 20 0 DAADMO C/C=C(/C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042430465 678328419 /nfs/dbraw/zinc/32/84/19/678328419.db2.gz ASBVLENZRKLGTQ-MCWZUMHDSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(/C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042430465 678328420 /nfs/dbraw/zinc/32/84/20/678328420.db2.gz ASBVLENZRKLGTQ-MCWZUMHDSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CCn2cncn2)C1 ZINC001042569377 678332583 /nfs/dbraw/zinc/33/25/83/678332583.db2.gz AXMURXCLOSCWIN-CYBMUJFWSA-N 1 1 308.386 -1.249 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CCn2cncn2)C1 ZINC001042569377 678332585 /nfs/dbraw/zinc/33/25/85/678332585.db2.gz AXMURXCLOSCWIN-CYBMUJFWSA-N 1 1 308.386 -1.249 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001042573732 678332909 /nfs/dbraw/zinc/33/29/09/678332909.db2.gz RSDORASKTZHHCT-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001042573732 678332912 /nfs/dbraw/zinc/33/29/12/678332912.db2.gz RSDORASKTZHHCT-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC2CC2)C1 ZINC001042573693 678333087 /nfs/dbraw/zinc/33/30/87/678333087.db2.gz QWWFMXSLOONDTM-ZDUSSCGKSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC2CC2)C1 ZINC001042573693 678333091 /nfs/dbraw/zinc/33/30/91/678333091.db2.gz QWWFMXSLOONDTM-ZDUSSCGKSA-N 1 1 310.398 -1.262 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895157 678353617 /nfs/dbraw/zinc/35/36/17/678353617.db2.gz GYJYPMBVXBPSBZ-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042931831 678355572 /nfs/dbraw/zinc/35/55/72/678355572.db2.gz ZYSYRTGIZINUPZ-SNVBAGLBSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042931512 678355660 /nfs/dbraw/zinc/35/56/60/678355660.db2.gz QSCOMNUSPLHKFK-JTQLQIEISA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042931512 678355663 /nfs/dbraw/zinc/35/56/63/678355663.db2.gz QSCOMNUSPLHKFK-JTQLQIEISA-N 1 1 323.353 -1.957 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)O1 ZINC001043066362 678363847 /nfs/dbraw/zinc/36/38/47/678363847.db2.gz ASTCJIBWAVPJDR-DGCLKSJQSA-N 1 1 312.414 -1.064 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)O1 ZINC001043066362 678363849 /nfs/dbraw/zinc/36/38/49/678363849.db2.gz ASTCJIBWAVPJDR-DGCLKSJQSA-N 1 1 312.414 -1.064 20 0 DAADMO Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c[nH]1 ZINC001043113229 678365001 /nfs/dbraw/zinc/36/50/01/678365001.db2.gz ISABQSIEUNWHFY-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001043113229 678365007 /nfs/dbraw/zinc/36/50/07/678365007.db2.gz ISABQSIEUNWHFY-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001043113229 678365013 /nfs/dbraw/zinc/36/50/13/678365013.db2.gz ISABQSIEUNWHFY-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001043114193 678365094 /nfs/dbraw/zinc/36/50/94/678365094.db2.gz SZNKZTPNLBJIFL-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001043114262 678365338 /nfs/dbraw/zinc/36/53/38/678365338.db2.gz VGFAQPVHQHAAJJ-NEPJUHHUSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001043114191 678365343 /nfs/dbraw/zinc/36/53/43/678365343.db2.gz SZNKZTPNLBJIFL-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043114760 678365418 /nfs/dbraw/zinc/36/54/18/678365418.db2.gz ARVHYKZYVHALTG-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114760 678365419 /nfs/dbraw/zinc/36/54/19/678365419.db2.gz ARVHYKZYVHALTG-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cccn3)C2)C1 ZINC001043114580 678365425 /nfs/dbraw/zinc/36/54/25/678365425.db2.gz YSYFLUQBHBAHGX-LBPRGKRZSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001043114498 678365459 /nfs/dbraw/zinc/36/54/59/678365459.db2.gz XSTWQVZWYHPXSH-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001043113434 678365469 /nfs/dbraw/zinc/36/54/69/678365469.db2.gz LGBFHFDBLWWJEP-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118587 678365966 /nfs/dbraw/zinc/36/59/66/678365966.db2.gz ZZFYUYWOIOJSGT-NWDGAFQWSA-N 1 1 313.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001043115319 678366040 /nfs/dbraw/zinc/36/60/40/678366040.db2.gz GWONFLKGJPWVLI-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001043115319 678366043 /nfs/dbraw/zinc/36/60/43/678366043.db2.gz GWONFLKGJPWVLI-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001043115319 678366046 /nfs/dbraw/zinc/36/60/46/678366046.db2.gz GWONFLKGJPWVLI-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115799 678366121 /nfs/dbraw/zinc/36/61/21/678366121.db2.gz JMYHBLLPNQCABQ-JTQLQIEISA-N 1 1 312.370 -2.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnon3)C2)C1 ZINC001043115872 678366195 /nfs/dbraw/zinc/36/61/95/678366195.db2.gz KPALSKGRRIMRIN-SECBINFHSA-N 1 1 309.326 -1.676 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001043117992 678366260 /nfs/dbraw/zinc/36/62/60/678366260.db2.gz DAXADDPEPBKFEF-GFCCVEGCSA-N 1 1 321.381 -1.476 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115801 678366278 /nfs/dbraw/zinc/36/62/78/678366278.db2.gz JMYHBLLPNQCABQ-SNVBAGLBSA-N 1 1 312.370 -2.236 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3=CCOCC3)C2)C1 ZINC001043115330 678366300 /nfs/dbraw/zinc/36/63/00/678366300.db2.gz HCHWETVJNOJBET-ZDUSSCGKSA-N 1 1 323.393 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001043120290 678366686 /nfs/dbraw/zinc/36/66/86/678366686.db2.gz MNVJBOFTMWYTPZ-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043119059 678366791 /nfs/dbraw/zinc/36/67/91/678366791.db2.gz TUNIOULOUAQXPI-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001043124813 678367171 /nfs/dbraw/zinc/36/71/71/678367171.db2.gz VAFAYANLDIPUOY-UHFFFAOYSA-N 1 1 307.354 -1.191 20 0 DAADMO O=C(CN1CCCC1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043127225 678367203 /nfs/dbraw/zinc/36/72/03/678367203.db2.gz GUGAZTZGNPYTCI-UHFFFAOYSA-N 1 1 324.425 -1.133 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 ZINC001043123885 678367211 /nfs/dbraw/zinc/36/72/11/678367211.db2.gz JQOWUFVVTWQVGB-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 ZINC001043123885 678367213 /nfs/dbraw/zinc/36/72/13/678367213.db2.gz JQOWUFVVTWQVGB-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 ZINC001043123738 678367372 /nfs/dbraw/zinc/36/73/72/678367372.db2.gz IDPGXEJNOVZUFO-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043127719 678367450 /nfs/dbraw/zinc/36/74/50/678367450.db2.gz OGOYHMVISIFXBR-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043125097 678367540 /nfs/dbraw/zinc/36/75/40/678367540.db2.gz CEYVHHFYTKKSMN-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043129641 678367763 /nfs/dbraw/zinc/36/77/63/678367763.db2.gz DMCKVCWMMWPAOW-SNVBAGLBSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 ZINC001043130007 678368186 /nfs/dbraw/zinc/36/81/86/678368186.db2.gz IQTWIONTZPPQHC-CYBMUJFWSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130536 678368194 /nfs/dbraw/zinc/36/81/94/678368194.db2.gz UCLJMWXAHWEEAE-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043178475 678370479 /nfs/dbraw/zinc/37/04/79/678370479.db2.gz MQPOKTHBIXYQSM-SNVBAGLBSA-N 1 1 323.357 -2.686 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CC[N@H+]1C ZINC001043271114 678374797 /nfs/dbraw/zinc/37/47/97/678374797.db2.gz CEWKBNXMIRHDMM-VHSXEESVSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043429044 678379988 /nfs/dbraw/zinc/37/99/88/678379988.db2.gz WSQRVFOKWSKRFK-UHFFFAOYSA-N 1 1 300.359 -2.109 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043430037 678380054 /nfs/dbraw/zinc/38/00/54/678380054.db2.gz CVFLONWKXZASGO-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001043435078 678380375 /nfs/dbraw/zinc/38/03/75/678380375.db2.gz LOWCWEFJEDPNKL-CABZTGNLSA-N 1 1 307.354 -1.111 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001043454013 678380990 /nfs/dbraw/zinc/38/09/90/678380990.db2.gz DNKHVHCMMFJLEX-GFCCVEGCSA-N 1 1 323.397 -1.087 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001043464234 678381056 /nfs/dbraw/zinc/38/10/56/678381056.db2.gz VMTFVFYFLLDPBM-VIFPVBQESA-N 1 1 321.337 -2.065 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001043464232 678381198 /nfs/dbraw/zinc/38/11/98/678381198.db2.gz VMTFVFYFLLDPBM-SECBINFHSA-N 1 1 321.337 -2.065 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1)C1CCC1 ZINC001043530619 678384380 /nfs/dbraw/zinc/38/43/80/678384380.db2.gz MIXPLAVOFLZEFJ-UHFFFAOYSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1)C1CCC1 ZINC001043530257 678384426 /nfs/dbraw/zinc/38/44/26/678384426.db2.gz HWPLBCHXSKJSOY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043530638 678384461 /nfs/dbraw/zinc/38/44/61/678384461.db2.gz RMKPEPRGSAODPV-OLZOCXBDSA-N 1 1 321.381 -1.477 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043530637 678384466 /nfs/dbraw/zinc/38/44/66/678384466.db2.gz RMKPEPRGSAODPV-CHWSQXEVSA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001043538052 678384965 /nfs/dbraw/zinc/38/49/65/678384965.db2.gz YGTCRZBWVFVPFB-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043612671 678387128 /nfs/dbraw/zinc/38/71/28/678387128.db2.gz KTIYQJXGUODYAO-UHFFFAOYSA-N 1 1 300.359 -2.109 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043612681 678387181 /nfs/dbraw/zinc/38/71/81/678387181.db2.gz LDHZCYGPCAJKMW-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043660853 678388474 /nfs/dbraw/zinc/38/84/74/678388474.db2.gz NRRRMCIZHZFJKY-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[C@H](C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1)[NH+](C)C ZINC001043682514 678389035 /nfs/dbraw/zinc/38/90/35/678389035.db2.gz QLRSLYRHZRMXCV-SNVBAGLBSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1nonc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043716312 678392127 /nfs/dbraw/zinc/39/21/27/678392127.db2.gz DDXWZGQLHBQTHV-SNVBAGLBSA-N 1 1 323.353 -1.225 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043773313 678393962 /nfs/dbraw/zinc/39/39/62/678393962.db2.gz NIWNWAZJYNDPDL-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001043806529 678395728 /nfs/dbraw/zinc/39/57/28/678395728.db2.gz IRDYACCATWPWJP-SNVBAGLBSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813079 678398811 /nfs/dbraw/zinc/39/88/11/678398811.db2.gz NVMHZGMYMZAUBQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813079 678398814 /nfs/dbraw/zinc/39/88/14/678398814.db2.gz NVMHZGMYMZAUBQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813079 678398819 /nfs/dbraw/zinc/39/88/19/678398819.db2.gz NVMHZGMYMZAUBQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043822106 678399799 /nfs/dbraw/zinc/39/97/99/678399799.db2.gz BVWVOCSTYVBWBI-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001043885838 678403659 /nfs/dbraw/zinc/40/36/59/678403659.db2.gz JQMTYMTYPPBXCU-PWSUYJOCSA-N 1 1 322.413 -1.051 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001043885841 678403818 /nfs/dbraw/zinc/40/38/18/678403818.db2.gz JQMTYMTYPPBXCU-ZYHUDNBSSA-N 1 1 322.413 -1.051 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043892904 678404213 /nfs/dbraw/zinc/40/42/13/678404213.db2.gz DKVKGRBLQHWVAM-XQQFMLRXSA-N 1 1 321.381 -1.492 20 0 DAADMO Cc1nccc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043899636 678404950 /nfs/dbraw/zinc/40/49/50/678404950.db2.gz VGNGXIAONNJAOK-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043899636 678404951 /nfs/dbraw/zinc/40/49/51/678404951.db2.gz VGNGXIAONNJAOK-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001043910126 678405457 /nfs/dbraw/zinc/40/54/57/678405457.db2.gz PHYPRTLIRLGUMF-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043913512 678405580 /nfs/dbraw/zinc/40/55/80/678405580.db2.gz WLESEQGDJFGWSQ-UHFFFAOYSA-N 1 1 324.341 -2.451 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043995659 678408592 /nfs/dbraw/zinc/40/85/92/678408592.db2.gz GMOQTTVECFCJHA-SECBINFHSA-N 1 1 310.354 -1.779 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001044141219 678413987 /nfs/dbraw/zinc/41/39/87/678413987.db2.gz MNELHRASBQHRDL-SECBINFHSA-N 1 1 312.370 -1.160 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044262099 678416746 /nfs/dbraw/zinc/41/67/46/678416746.db2.gz FLGRSMQQUONRHF-WDEREUQCSA-N 1 1 324.381 -1.951 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001044266213 678417769 /nfs/dbraw/zinc/41/77/69/678417769.db2.gz YKVSYAJHXQWADK-MNOVXSKESA-N 1 1 324.381 -2.094 20 0 DAADMO CN(C(=O)Cn1cncn1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001044269665 678418379 /nfs/dbraw/zinc/41/83/79/678418379.db2.gz NVEHFBOEKKJUIH-CYBMUJFWSA-N 1 1 319.369 -1.322 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001044292028 678418862 /nfs/dbraw/zinc/41/88/62/678418862.db2.gz HXQRGJDZZWJXMN-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044291665 678418882 /nfs/dbraw/zinc/41/88/82/678418882.db2.gz XDSADXMFDSVUHR-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001044297711 678419181 /nfs/dbraw/zinc/41/91/81/678419181.db2.gz CPQVVZVWHPYMJC-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001044299254 678419193 /nfs/dbraw/zinc/41/91/93/678419193.db2.gz YVLXUJFYOVNBHV-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001044301991 678419444 /nfs/dbraw/zinc/41/94/44/678419444.db2.gz DFTDIRSCRKAAEO-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001044308366 678419545 /nfs/dbraw/zinc/41/95/45/678419545.db2.gz FLUSMRSKQHISMQ-KOLCDFICSA-N 1 1 305.400 -1.144 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001044335291 678420712 /nfs/dbraw/zinc/42/07/12/678420712.db2.gz GRWCLGREQFFBMX-SNVBAGLBSA-N 1 1 322.369 -1.444 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044443634 678426833 /nfs/dbraw/zinc/42/68/33/678426833.db2.gz NUCOBOMLZIOIOJ-WDEREUQCSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001044443633 678426923 /nfs/dbraw/zinc/42/69/23/678426923.db2.gz NUCOBOMLZIOIOJ-QWRGUYRKSA-N 1 1 324.381 -2.094 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC001044450046 678427212 /nfs/dbraw/zinc/42/72/12/678427212.db2.gz XGWOVISTQLZWGD-ZJUUUORDSA-N 1 1 320.361 -1.634 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044457118 678428258 /nfs/dbraw/zinc/42/82/58/678428258.db2.gz FOBDXIHCCYZZEF-MXWKQRLJSA-N 1 1 320.353 -1.559 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1nccn1 ZINC001044614742 678430766 /nfs/dbraw/zinc/43/07/66/678430766.db2.gz GHOMGGIRLJTKNE-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)C1CC1 ZINC001044775496 678434733 /nfs/dbraw/zinc/43/47/33/678434733.db2.gz BHBXNVMWEYVHTR-JTQLQIEISA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)C1CC1 ZINC001044775496 678434736 /nfs/dbraw/zinc/43/47/36/678434736.db2.gz BHBXNVMWEYVHTR-JTQLQIEISA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)C1CC1 ZINC001044775498 678434768 /nfs/dbraw/zinc/43/47/68/678434768.db2.gz BHBXNVMWEYVHTR-SNVBAGLBSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)C1CC1 ZINC001044775498 678434770 /nfs/dbraw/zinc/43/47/70/678434770.db2.gz BHBXNVMWEYVHTR-SNVBAGLBSA-N 1 1 322.369 -1.552 20 0 DAADMO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001044775938 678435498 /nfs/dbraw/zinc/43/54/98/678435498.db2.gz GPSZGJMEVHZRPB-SNVBAGLBSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001044775938 678435503 /nfs/dbraw/zinc/43/55/03/678435503.db2.gz GPSZGJMEVHZRPB-SNVBAGLBSA-N 1 1 324.385 -1.306 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001044776511 678435882 /nfs/dbraw/zinc/43/58/82/678435882.db2.gz LUHGRLYCBJSKGK-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044776511 678435883 /nfs/dbraw/zinc/43/58/83/678435883.db2.gz LUHGRLYCBJSKGK-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044776511 678435885 /nfs/dbraw/zinc/43/58/85/678435885.db2.gz LUHGRLYCBJSKGK-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044776511 678435887 /nfs/dbraw/zinc/43/58/87/678435887.db2.gz LUHGRLYCBJSKGK-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044776511 678435890 /nfs/dbraw/zinc/43/58/90/678435890.db2.gz LUHGRLYCBJSKGK-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001044915379 678439616 /nfs/dbraw/zinc/43/96/16/678439616.db2.gz QAZDZWNPLSFFOZ-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CS(C)(=O)=O)nn1 ZINC001044948871 678441864 /nfs/dbraw/zinc/44/18/64/678441864.db2.gz PPDZOHCSMJAWPG-NSHDSACASA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001044937025 678441891 /nfs/dbraw/zinc/44/18/91/678441891.db2.gz UUGRGBMDBPVBSF-WDEREUQCSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001044935675 678441975 /nfs/dbraw/zinc/44/19/75/678441975.db2.gz WRTFXXPFCITFOM-SECBINFHSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001044990514 678442788 /nfs/dbraw/zinc/44/27/88/678442788.db2.gz KQEVAIOSHNIDMI-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CN=NC2=O)n1 ZINC001045003749 678443194 /nfs/dbraw/zinc/44/31/94/678443194.db2.gz MOGMGHVRFASTQI-NSHDSACASA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001045023513 678444414 /nfs/dbraw/zinc/44/44/14/678444414.db2.gz DUCOLICSRPMUJQ-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001045020558 678444435 /nfs/dbraw/zinc/44/44/35/678444435.db2.gz UZFBOGDOIXHGNB-IUCAKERBSA-N 1 1 309.330 -1.601 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1ncnn1)c1nnnn1C ZINC001045040508 678444712 /nfs/dbraw/zinc/44/47/12/678444712.db2.gz JBXFCSSNFZEXDY-UWVGGRQHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC001045076758 678445347 /nfs/dbraw/zinc/44/53/47/678445347.db2.gz CWACLRBWTLXWCK-VIFPVBQESA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001045078120 678445438 /nfs/dbraw/zinc/44/54/38/678445438.db2.gz ATHOVUZJIDEETA-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2C)NC1=O ZINC001045151172 678447196 /nfs/dbraw/zinc/44/71/96/678447196.db2.gz PENMMKGUTRSQTA-QWRGUYRKSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001045149872 678447325 /nfs/dbraw/zinc/44/73/25/678447325.db2.gz XBTYIICSMWOBLE-NWDGAFQWSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001045178688 678448012 /nfs/dbraw/zinc/44/80/12/678448012.db2.gz NWLFVRWSBNODGS-VIFPVBQESA-N 1 1 308.342 -1.626 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001045175844 678448167 /nfs/dbraw/zinc/44/81/67/678448167.db2.gz OAJFLEXRVWUTQZ-QWRGUYRKSA-N 1 1 307.358 -1.423 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045185082 678449175 /nfs/dbraw/zinc/44/91/75/678449175.db2.gz YANOZMYVBPMROF-SNVBAGLBSA-N 1 1 309.326 -1.533 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045187970 678449208 /nfs/dbraw/zinc/44/92/08/678449208.db2.gz KKOUAOQDQBOEGA-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045188375 678449849 /nfs/dbraw/zinc/44/98/49/678449849.db2.gz TWWWSYCYIOKCNL-JTQLQIEISA-N 1 1 323.353 -1.286 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192984 678449862 /nfs/dbraw/zinc/44/98/62/678449862.db2.gz MALNULVCDJMUIF-UWVGGRQHSA-N 1 1 323.353 -1.430 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1)C1CCC1 ZINC001045197404 678450260 /nfs/dbraw/zinc/45/02/60/678450260.db2.gz QTSPVRJCQQGPMP-UHFFFAOYSA-N 1 1 323.353 -1.143 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(C)CCNC1=O ZINC001045197624 678450332 /nfs/dbraw/zinc/45/03/32/678450332.db2.gz BNBGAEWZCOIGBW-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045208467 678450734 /nfs/dbraw/zinc/45/07/34/678450734.db2.gz BAIOLFDQBLWDCZ-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncccn3)C2)C1 ZINC001045212999 678451156 /nfs/dbraw/zinc/45/11/56/678451156.db2.gz YOKJWCHZTZYPPX-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045221410 678451413 /nfs/dbraw/zinc/45/14/13/678451413.db2.gz LXERGSJUGQHOTC-UWVGGRQHSA-N 1 1 322.325 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001045239240 678451974 /nfs/dbraw/zinc/45/19/74/678451974.db2.gz NHMRCBCODXOOST-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045287524 678454353 /nfs/dbraw/zinc/45/43/53/678454353.db2.gz VWMGGFGCLRTJGY-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001045413571 678456087 /nfs/dbraw/zinc/45/60/87/678456087.db2.gz RZHCQNFBXLDCSQ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001045496757 678460215 /nfs/dbraw/zinc/46/02/15/678460215.db2.gz MYVCKZIVVSTLQQ-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045499939 678461097 /nfs/dbraw/zinc/46/10/97/678461097.db2.gz IJLPHKGKKPHPFS-AOOOYVTPSA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001045509373 678462615 /nfs/dbraw/zinc/46/26/15/678462615.db2.gz JRVHXPUTBOVVEN-GHMZBOCLSA-N 1 1 324.381 -1.822 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045521722 678464616 /nfs/dbraw/zinc/46/46/16/678464616.db2.gz MYRSPMDLTOZPRG-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001045525983 678464966 /nfs/dbraw/zinc/46/49/66/678464966.db2.gz WFLZRKFOUJUGIT-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CC1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[NH+](CC(N)=O)CC1 ZINC001045642378 678468560 /nfs/dbraw/zinc/46/85/60/678468560.db2.gz BJCZCYVMSWDFTC-SECBINFHSA-N 1 1 318.399 -1.866 20 0 DAADMO Cn1cc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)n(C)c1=O ZINC001045648091 678468835 /nfs/dbraw/zinc/46/88/35/678468835.db2.gz ZEWYZXWHKNBLAW-UHFFFAOYSA-N 1 1 309.370 -1.207 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045710131 678469698 /nfs/dbraw/zinc/46/96/98/678469698.db2.gz CFSRASHIXJVUDT-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)ncc1=O ZINC001045816510 678471080 /nfs/dbraw/zinc/47/10/80/678471080.db2.gz PNNBIWORFAGLIU-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)ncc1=O ZINC001045816510 678471081 /nfs/dbraw/zinc/47/10/81/678471081.db2.gz PNNBIWORFAGLIU-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045760233 678471159 /nfs/dbraw/zinc/47/11/59/678471159.db2.gz IOXLBNLZAFRRRU-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045760233 678471162 /nfs/dbraw/zinc/47/11/62/678471162.db2.gz IOXLBNLZAFRRRU-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001045839429 678471462 /nfs/dbraw/zinc/47/14/62/678471462.db2.gz KGJGWZBMEYTVNP-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1=O ZINC001045887619 678471716 /nfs/dbraw/zinc/47/17/16/678471716.db2.gz IHILPVMVQWCKFS-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045988852 678471978 /nfs/dbraw/zinc/47/19/78/678471978.db2.gz XHBXLZAPTNGLOQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001045961994 678472075 /nfs/dbraw/zinc/47/20/75/678472075.db2.gz DLQTUEOBYMJBPY-IAQYHMDHSA-N 1 1 323.397 -1.142 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045988854 678472096 /nfs/dbraw/zinc/47/20/96/678472096.db2.gz XHBXLZAPTNGLOQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046002050 678472108 /nfs/dbraw/zinc/47/21/08/678472108.db2.gz RCCKOIOGZPXUDQ-LBPRGKRZSA-N 1 1 309.374 -2.116 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046001142 678472126 /nfs/dbraw/zinc/47/21/26/678472126.db2.gz GUCOSEYTPPZXFH-CHWSQXEVSA-N 1 1 323.401 -1.728 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046007882 678472305 /nfs/dbraw/zinc/47/23/05/678472305.db2.gz FZBBNASCECLKRT-LBPRGKRZSA-N 1 1 319.427 -1.758 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046007882 678472308 /nfs/dbraw/zinc/47/23/08/678472308.db2.gz FZBBNASCECLKRT-LBPRGKRZSA-N 1 1 319.427 -1.758 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046007281 678472359 /nfs/dbraw/zinc/47/23/59/678472359.db2.gz BRMZAPOOCHLONK-NSHDSACASA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046007281 678472360 /nfs/dbraw/zinc/47/23/60/678472360.db2.gz BRMZAPOOCHLONK-NSHDSACASA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnns3)CC2)C1 ZINC001046007736 678472445 /nfs/dbraw/zinc/47/24/45/678472445.db2.gz JWYOHACJZNWCCM-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnns3)CC2)C1 ZINC001046007736 678472448 /nfs/dbraw/zinc/47/24/48/678472448.db2.gz JWYOHACJZNWCCM-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012308 678472947 /nfs/dbraw/zinc/47/29/47/678472947.db2.gz NHODVMHSEXYTGO-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012308 678472951 /nfs/dbraw/zinc/47/29/51/678472951.db2.gz NHODVMHSEXYTGO-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008453 678472984 /nfs/dbraw/zinc/47/29/84/678472984.db2.gz VJCDZCWACPXNIR-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046018122 678473059 /nfs/dbraw/zinc/47/30/59/678473059.db2.gz UTUYTTLSMOEOQO-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046020497 678473096 /nfs/dbraw/zinc/47/30/96/678473096.db2.gz SMXHUMZXNXRPIH-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3)CC2)C1 ZINC001046024153 678473160 /nfs/dbraw/zinc/47/31/60/678473160.db2.gz GLNRYUOTGPVBFQ-ZDUSSCGKSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cncnc3)CC2)C1 ZINC001046024153 678473162 /nfs/dbraw/zinc/47/31/62/678473162.db2.gz GLNRYUOTGPVBFQ-ZDUSSCGKSA-N 1 1 318.381 -1.206 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017636 678473167 /nfs/dbraw/zinc/47/31/67/678473167.db2.gz PVKJWOSLTHTTCR-MNOVXSKESA-N 1 1 311.386 -2.046 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccon3)CC2)C1 ZINC001046008917 678473206 /nfs/dbraw/zinc/47/32/06/678473206.db2.gz ISJLWCXLZCGFMB-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccon3)CC2)C1 ZINC001046008917 678473207 /nfs/dbraw/zinc/47/32/07/678473207.db2.gz ISJLWCXLZCGFMB-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046009772 678473476 /nfs/dbraw/zinc/47/34/76/678473476.db2.gz ZWXPSOHLJPUBNE-KBPBESRZSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046009773 678473495 /nfs/dbraw/zinc/47/34/95/678473495.db2.gz ZWXPSOHLJPUBNE-KGLIPLIRSA-N 1 1 313.398 -1.387 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC001046029544 678473899 /nfs/dbraw/zinc/47/38/99/678473899.db2.gz WJROZUBMGSVKPS-ZDUSSCGKSA-N 1 1 324.425 -1.005 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC001046029544 678473903 /nfs/dbraw/zinc/47/39/03/678473903.db2.gz WJROZUBMGSVKPS-ZDUSSCGKSA-N 1 1 324.425 -1.005 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046035964 678473959 /nfs/dbraw/zinc/47/39/59/678473959.db2.gz XLPBSFJLIGSVOK-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)nn1 ZINC001046028938 678473973 /nfs/dbraw/zinc/47/39/73/678473973.db2.gz JNUHPWXASGPTNN-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)nn1 ZINC001046028938 678473979 /nfs/dbraw/zinc/47/39/79/678473979.db2.gz JNUHPWXASGPTNN-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030588 678474036 /nfs/dbraw/zinc/47/40/36/678474036.db2.gz VTGWEDMWGYRSPQ-LLVKDONJSA-N 1 1 322.373 -2.623 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030588 678474037 /nfs/dbraw/zinc/47/40/37/678474037.db2.gz VTGWEDMWGYRSPQ-LLVKDONJSA-N 1 1 322.373 -2.623 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046024609 678474121 /nfs/dbraw/zinc/47/41/21/678474121.db2.gz OWUDIRQEUCXSSG-HNNXBMFYSA-N 1 1 324.425 -1.325 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030317 678474139 /nfs/dbraw/zinc/47/41/39/678474139.db2.gz OGYYRLRLUCSJDF-OLZOCXBDSA-N 1 1 323.401 -1.728 20 0 DAADMO O=C(Cn1nccn1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046034094 678474219 /nfs/dbraw/zinc/47/42/19/678474219.db2.gz PAGDFKNFQSOMNI-CQSZACIVSA-N 1 1 322.413 -1.121 20 0 DAADMO CC(C)(O)CC(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046026728 678474282 /nfs/dbraw/zinc/47/42/82/678474282.db2.gz HGYGWNPVVGJOBZ-GFCCVEGCSA-N 1 1 312.414 -1.149 20 0 DAADMO CC(C)(O)CC(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046026728 678474284 /nfs/dbraw/zinc/47/42/84/678474284.db2.gz HGYGWNPVVGJOBZ-GFCCVEGCSA-N 1 1 312.414 -1.149 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046053684 678474475 /nfs/dbraw/zinc/47/44/75/678474475.db2.gz FRYCMASBWMJLLJ-KBPBESRZSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@]1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CNC(=O)C1 ZINC001046047855 678474846 /nfs/dbraw/zinc/47/48/46/678474846.db2.gz ZMQWESMCZBEKBC-XJKSGUPXSA-N 1 1 324.425 -1.277 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042803 678474902 /nfs/dbraw/zinc/47/49/02/678474902.db2.gz MZXIJDIHUZAERJ-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046054006 678474913 /nfs/dbraw/zinc/47/49/13/678474913.db2.gz ILXDFODFXDGLKM-VXGBXAGGSA-N 1 1 323.401 -1.577 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049604 678475150 /nfs/dbraw/zinc/47/51/50/678475150.db2.gz SMAZQYZUOBCLPM-VXGBXAGGSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049604 678475153 /nfs/dbraw/zinc/47/51/53/678475153.db2.gz SMAZQYZUOBCLPM-VXGBXAGGSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046056401 678475529 /nfs/dbraw/zinc/47/55/29/678475529.db2.gz DFEGCANYWNGJJA-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1=O ZINC001046055364 678475623 /nfs/dbraw/zinc/47/56/23/678475623.db2.gz PCHULMLBGRNGJL-KGLIPLIRSA-N 1 1 324.425 -1.325 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 ZINC001046055642 678475632 /nfs/dbraw/zinc/47/56/32/678475632.db2.gz HBASZAHLTQAYET-ZDUSSCGKSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 ZINC001046055642 678475634 /nfs/dbraw/zinc/47/56/34/678475634.db2.gz HBASZAHLTQAYET-ZDUSSCGKSA-N 1 1 321.381 -1.079 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046054211 678475653 /nfs/dbraw/zinc/47/56/53/678475653.db2.gz JUZOVDYVBYBFDU-SNVBAGLBSA-N 1 1 322.373 -2.473 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046054211 678475654 /nfs/dbraw/zinc/47/56/54/678475654.db2.gz JUZOVDYVBYBFDU-SNVBAGLBSA-N 1 1 322.373 -2.473 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046062813 678476322 /nfs/dbraw/zinc/47/63/22/678476322.db2.gz KAURFKPDGZGCFG-MCIONIFRSA-N 1 1 324.425 -1.291 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046058589 678476444 /nfs/dbraw/zinc/47/64/44/678476444.db2.gz NRACJDAPVNMICX-LBPRGKRZSA-N 1 1 323.397 -2.078 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058898 678476460 /nfs/dbraw/zinc/47/64/60/678476460.db2.gz VPBVBBGMMSCWMB-LLVKDONJSA-N 1 1 323.397 -2.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058898 678476464 /nfs/dbraw/zinc/47/64/64/678476464.db2.gz VPBVBBGMMSCWMB-LLVKDONJSA-N 1 1 323.397 -2.044 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CCC(=O)N1 ZINC001046060917 678476474 /nfs/dbraw/zinc/47/64/74/678476474.db2.gz HLQYKSBSTNKBMJ-BBRMVZONSA-N 1 1 324.425 -1.134 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057856 678476489 /nfs/dbraw/zinc/47/64/89/678476489.db2.gz YTSLQESOEMQHBA-RYUDHWBXSA-N 1 1 323.397 -2.079 20 0 DAADMO O=C(CCc1cn[nH]n1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063677 678476568 /nfs/dbraw/zinc/47/65/68/678476568.db2.gz UNMFBOPWEYKXRI-AWEZNQCLSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046063677 678476572 /nfs/dbraw/zinc/47/65/72/678476572.db2.gz UNMFBOPWEYKXRI-AWEZNQCLSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063677 678476575 /nfs/dbraw/zinc/47/65/75/678476575.db2.gz UNMFBOPWEYKXRI-AWEZNQCLSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046063677 678476577 /nfs/dbraw/zinc/47/65/77/678476577.db2.gz UNMFBOPWEYKXRI-AWEZNQCLSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063677 678476580 /nfs/dbraw/zinc/47/65/80/678476580.db2.gz UNMFBOPWEYKXRI-AWEZNQCLSA-N 1 1 322.413 -1.052 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046059123 678476696 /nfs/dbraw/zinc/47/66/96/678476696.db2.gz ZNHHBLDNSTVOND-ZDUSSCGKSA-N 1 1 320.397 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072759 678476980 /nfs/dbraw/zinc/47/69/80/678476980.db2.gz MSOMNKZAWSACLP-WDEREUQCSA-N 1 1 322.369 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046066359 678477031 /nfs/dbraw/zinc/47/70/31/678477031.db2.gz KHDZPHKTJCISKD-CYBMUJFWSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046066359 678477034 /nfs/dbraw/zinc/47/70/34/678477034.db2.gz KHDZPHKTJCISKD-CYBMUJFWSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046077012 678477099 /nfs/dbraw/zinc/47/70/99/678477099.db2.gz QQYMVLDNRBJYFY-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081036 678477120 /nfs/dbraw/zinc/47/71/20/678477120.db2.gz DPJYDVRQMONZRN-KGLIPLIRSA-N 1 1 322.413 -1.123 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046070872 678477143 /nfs/dbraw/zinc/47/71/43/678477143.db2.gz CPCAPRBZZYLEQI-JTQLQIEISA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046070872 678477146 /nfs/dbraw/zinc/47/71/46/678477146.db2.gz CPCAPRBZZYLEQI-JTQLQIEISA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072778 678477252 /nfs/dbraw/zinc/47/72/52/678477252.db2.gz NAEDMIFZGPUQJZ-JTQLQIEISA-N 1 1 308.342 -1.613 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072778 678477255 /nfs/dbraw/zinc/47/72/55/678477255.db2.gz NAEDMIFZGPUQJZ-JTQLQIEISA-N 1 1 308.342 -1.613 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046076386 678477277 /nfs/dbraw/zinc/47/72/77/678477277.db2.gz MUTMMMPHSSXMEO-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072779 678477412 /nfs/dbraw/zinc/47/74/12/678477412.db2.gz NAEDMIFZGPUQJZ-SNVBAGLBSA-N 1 1 308.342 -1.613 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072779 678477413 /nfs/dbraw/zinc/47/74/13/678477413.db2.gz NAEDMIFZGPUQJZ-SNVBAGLBSA-N 1 1 308.342 -1.613 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081077 678477473 /nfs/dbraw/zinc/47/74/73/678477473.db2.gz FGCQCLQUDGKWPZ-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081077 678477475 /nfs/dbraw/zinc/47/74/75/678477475.db2.gz FGCQCLQUDGKWPZ-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO O=C(Cn1cncn1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046083457 678477482 /nfs/dbraw/zinc/47/74/82/678477482.db2.gz QVWCTRAIZKTZIH-AWEZNQCLSA-N 1 1 322.413 -1.121 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046070875 678477563 /nfs/dbraw/zinc/47/75/63/678477563.db2.gz CPCAPRBZZYLEQI-SNVBAGLBSA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046070875 678477566 /nfs/dbraw/zinc/47/75/66/678477566.db2.gz CPCAPRBZZYLEQI-SNVBAGLBSA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078643 678477580 /nfs/dbraw/zinc/47/75/80/678477580.db2.gz NHODVMHSEXYTGO-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078643 678477582 /nfs/dbraw/zinc/47/75/82/678477582.db2.gz NHODVMHSEXYTGO-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072509 678477769 /nfs/dbraw/zinc/47/77/69/678477769.db2.gz HFWJLNFAAQZTNR-LLVKDONJSA-N 1 1 322.369 -1.352 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088733 678478167 /nfs/dbraw/zinc/47/81/67/678478167.db2.gz UKVLCIYXGWKLHG-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088733 678478172 /nfs/dbraw/zinc/47/81/72/678478172.db2.gz UKVLCIYXGWKLHG-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046201061 678478815 /nfs/dbraw/zinc/47/88/15/678478815.db2.gz XQHDWAFRALRRGZ-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217400 678479605 /nfs/dbraw/zinc/47/96/05/678479605.db2.gz GAYZLMVOPLTHHK-SWLSCSKDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217400 678479607 /nfs/dbraw/zinc/47/96/07/678479607.db2.gz GAYZLMVOPLTHHK-SWLSCSKDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001046271424 678480327 /nfs/dbraw/zinc/48/03/27/678480327.db2.gz LFCBZKQQBLGMKB-IUODEOHRSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001046271424 678480329 /nfs/dbraw/zinc/48/03/29/678480329.db2.gz LFCBZKQQBLGMKB-IUODEOHRSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046289532 678480463 /nfs/dbraw/zinc/48/04/63/678480463.db2.gz XIFVECBMMKOJME-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046289532 678480467 /nfs/dbraw/zinc/48/04/67/678480467.db2.gz XIFVECBMMKOJME-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nncc1C(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046286417 678480637 /nfs/dbraw/zinc/48/06/37/678480637.db2.gz WTOIOCUEFYUKIG-XPTSAGLGSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046286417 678480640 /nfs/dbraw/zinc/48/06/40/678480640.db2.gz WTOIOCUEFYUKIG-XPTSAGLGSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293549 678481053 /nfs/dbraw/zinc/48/10/53/678481053.db2.gz MWKRJDYMUZLCED-YGRLFVJLSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293549 678481054 /nfs/dbraw/zinc/48/10/54/678481054.db2.gz MWKRJDYMUZLCED-YGRLFVJLSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@H](CNC(=O)C1CN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000900782997 678482066 /nfs/dbraw/zinc/48/20/66/678482066.db2.gz LFBASROCHCLTDF-NSHDSACASA-N 1 1 319.427 -1.038 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001046389804 678482218 /nfs/dbraw/zinc/48/22/18/678482218.db2.gz QDVWGAOHMNEAOR-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001046389804 678482220 /nfs/dbraw/zinc/48/22/20/678482220.db2.gz QDVWGAOHMNEAOR-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389831 678482324 /nfs/dbraw/zinc/48/23/24/678482324.db2.gz QSKWWXMAETZIAO-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389831 678482326 /nfs/dbraw/zinc/48/23/26/678482326.db2.gz QSKWWXMAETZIAO-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@@H+](C)CCN1C ZINC000900812012 678482591 /nfs/dbraw/zinc/48/25/91/678482591.db2.gz QMVCIKBFEHWTAI-GHMZBOCLSA-N 1 1 307.402 -1.285 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000900797721 678482617 /nfs/dbraw/zinc/48/26/17/678482617.db2.gz WQNJLLXLTNMLCW-ZFWWWQNUSA-N 1 1 322.413 -1.123 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000900807165 678482737 /nfs/dbraw/zinc/48/27/37/678482737.db2.gz BETMSJOTWGDRPE-MTNMJMNLSA-N 1 1 317.455 -1.036 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000900807165 678482740 /nfs/dbraw/zinc/48/27/40/678482740.db2.gz BETMSJOTWGDRPE-MTNMJMNLSA-N 1 1 317.455 -1.036 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000900797720 678482761 /nfs/dbraw/zinc/48/27/61/678482761.db2.gz WQNJLLXLTNMLCW-UKRRQHHQSA-N 1 1 322.413 -1.123 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807024 678482945 /nfs/dbraw/zinc/48/29/45/678482945.db2.gz VCQFCSYXMAKLCY-PWSUYJOCSA-N 1 1 318.443 -1.372 20 0 DAADMO C[C@@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812013 678483003 /nfs/dbraw/zinc/48/30/03/678483003.db2.gz QMVCIKBFEHWTAI-MNOVXSKESA-N 1 1 307.402 -1.285 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001046502769 678483332 /nfs/dbraw/zinc/48/33/32/678483332.db2.gz NCXHDWYLTZNUEJ-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001046502769 678483335 /nfs/dbraw/zinc/48/33/35/678483335.db2.gz NCXHDWYLTZNUEJ-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046503326 678483343 /nfs/dbraw/zinc/48/33/43/678483343.db2.gz SFIUCXIYYYPNBQ-GXFFZTMASA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500335 678483511 /nfs/dbraw/zinc/48/35/11/678483511.db2.gz ZJAQOYYBOHJQFD-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500335 678483513 /nfs/dbraw/zinc/48/35/13/678483513.db2.gz ZJAQOYYBOHJQFD-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500334 678483529 /nfs/dbraw/zinc/48/35/29/678483529.db2.gz ZJAQOYYBOHJQFD-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500334 678483531 /nfs/dbraw/zinc/48/35/31/678483531.db2.gz ZJAQOYYBOHJQFD-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001046502772 678483564 /nfs/dbraw/zinc/48/35/64/678483564.db2.gz NCXHDWYLTZNUEJ-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001046502772 678483566 /nfs/dbraw/zinc/48/35/66/678483566.db2.gz NCXHDWYLTZNUEJ-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001046502771 678483615 /nfs/dbraw/zinc/48/36/15/678483615.db2.gz NCXHDWYLTZNUEJ-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001046502771 678483617 /nfs/dbraw/zinc/48/36/17/678483617.db2.gz NCXHDWYLTZNUEJ-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046525504 678484071 /nfs/dbraw/zinc/48/40/71/678484071.db2.gz MBCPOAMOAJZNSD-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046537342 678484203 /nfs/dbraw/zinc/48/42/03/678484203.db2.gz MSVAKBFKMGVQCR-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046537342 678484206 /nfs/dbraw/zinc/48/42/06/678484206.db2.gz MSVAKBFKMGVQCR-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046537341 678484268 /nfs/dbraw/zinc/48/42/68/678484268.db2.gz MSVAKBFKMGVQCR-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046537341 678484270 /nfs/dbraw/zinc/48/42/70/678484270.db2.gz MSVAKBFKMGVQCR-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046540321 678484278 /nfs/dbraw/zinc/48/42/78/678484278.db2.gz WWRQOXXSWMRICG-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046540320 678484321 /nfs/dbraw/zinc/48/43/21/678484321.db2.gz WWRQOXXSWMRICG-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046540322 678484382 /nfs/dbraw/zinc/48/43/82/678484382.db2.gz WWRQOXXSWMRICG-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001046535232 678484500 /nfs/dbraw/zinc/48/45/00/678484500.db2.gz LCMFVOSRJVEJOH-ZDUSSCGKSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001046535232 678484502 /nfs/dbraw/zinc/48/45/02/678484502.db2.gz LCMFVOSRJVEJOH-ZDUSSCGKSA-N 1 1 309.326 -1.835 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001046525871 678484574 /nfs/dbraw/zinc/48/45/74/678484574.db2.gz VBRGIBPQVBWURZ-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001046530718 678484596 /nfs/dbraw/zinc/48/45/96/678484596.db2.gz BWSXAOINTLTKOS-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542665 678485005 /nfs/dbraw/zinc/48/50/05/678485005.db2.gz KVRVORZTGCIFCL-IAQYHMDHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542665 678485007 /nfs/dbraw/zinc/48/50/07/678485007.db2.gz KVRVORZTGCIFCL-IAQYHMDHSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001046545057 678485091 /nfs/dbraw/zinc/48/50/91/678485091.db2.gz XFGSWXHVRXGNGA-ZDUSSCGKSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001046545057 678485094 /nfs/dbraw/zinc/48/50/94/678485094.db2.gz XFGSWXHVRXGNGA-ZDUSSCGKSA-N 1 1 307.358 -1.363 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046541493 678485164 /nfs/dbraw/zinc/48/51/64/678485164.db2.gz FKVPYTDOLDRWHB-HZMBPMFUSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046541493 678485166 /nfs/dbraw/zinc/48/51/66/678485166.db2.gz FKVPYTDOLDRWHB-HZMBPMFUSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046541495 678485244 /nfs/dbraw/zinc/48/52/44/678485244.db2.gz FKVPYTDOLDRWHB-QMTHXVAHSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046541495 678485246 /nfs/dbraw/zinc/48/52/46/678485246.db2.gz FKVPYTDOLDRWHB-QMTHXVAHSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001046580339 678486142 /nfs/dbraw/zinc/48/61/42/678486142.db2.gz SUYXYCUBXFMUHV-HZMBPMFUSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001046580339 678486144 /nfs/dbraw/zinc/48/61/44/678486144.db2.gz SUYXYCUBXFMUHV-HZMBPMFUSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001046580341 678486155 /nfs/dbraw/zinc/48/61/55/678486155.db2.gz SUYXYCUBXFMUHV-QMTHXVAHSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001046580341 678486156 /nfs/dbraw/zinc/48/61/56/678486156.db2.gz SUYXYCUBXFMUHV-QMTHXVAHSA-N 1 1 305.338 -1.147 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)CC2 ZINC001046575939 678486317 /nfs/dbraw/zinc/48/63/17/678486317.db2.gz YELPIHPNNSHGOW-BONVTDFDSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)CC2 ZINC001046575939 678486320 /nfs/dbraw/zinc/48/63/20/678486320.db2.gz YELPIHPNNSHGOW-BONVTDFDSA-N 1 1 320.397 -1.014 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046588118 678486783 /nfs/dbraw/zinc/48/67/83/678486783.db2.gz OJIYXVLSYNHOQJ-YGRLFVJLSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046588118 678486785 /nfs/dbraw/zinc/48/67/85/678486785.db2.gz OJIYXVLSYNHOQJ-YGRLFVJLSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046589249 678486853 /nfs/dbraw/zinc/48/68/53/678486853.db2.gz UIIBHOPTOXPNGD-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046589249 678486855 /nfs/dbraw/zinc/48/68/55/678486855.db2.gz UIIBHOPTOXPNGD-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046588206 678486870 /nfs/dbraw/zinc/48/68/70/678486870.db2.gz OVORHBAAMWKTQC-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046589250 678486906 /nfs/dbraw/zinc/48/69/06/678486906.db2.gz UIIBHOPTOXPNGD-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046589250 678486909 /nfs/dbraw/zinc/48/69/09/678486909.db2.gz UIIBHOPTOXPNGD-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046586037 678486980 /nfs/dbraw/zinc/48/69/80/678486980.db2.gz IULDTGIYNOLLFZ-QMTHXVAHSA-N 1 1 324.385 -1.726 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046622395 678487449 /nfs/dbraw/zinc/48/74/49/678487449.db2.gz YOCCBVOHNLOXSX-SUNKGSAMSA-N 1 1 306.370 -1.020 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046626654 678487569 /nfs/dbraw/zinc/48/75/69/678487569.db2.gz CAHRQASURZTNMP-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046626654 678487573 /nfs/dbraw/zinc/48/75/73/678487573.db2.gz CAHRQASURZTNMP-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046629100 678487756 /nfs/dbraw/zinc/48/77/56/678487756.db2.gz XCKJYAOZGAHFDW-ZETOZRRWSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046629100 678487759 /nfs/dbraw/zinc/48/77/59/678487759.db2.gz XCKJYAOZGAHFDW-ZETOZRRWSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@H+](CC(N)=O)C1 ZINC001046638231 678487775 /nfs/dbraw/zinc/48/77/75/678487775.db2.gz VSFXFLJVYZQFKV-QMTHXVAHSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046638231 678487779 /nfs/dbraw/zinc/48/77/79/678487779.db2.gz VSFXFLJVYZQFKV-QMTHXVAHSA-N 1 1 321.385 -1.309 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046660624 678488147 /nfs/dbraw/zinc/48/81/47/678488147.db2.gz ABBBMIYVTWVSTG-ISVAXAHUSA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046660624 678488148 /nfs/dbraw/zinc/48/81/48/678488148.db2.gz ABBBMIYVTWVSTG-ISVAXAHUSA-N 1 1 311.342 -2.089 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnn[n-]2)C1 ZINC001046672417 678488262 /nfs/dbraw/zinc/48/82/62/678488262.db2.gz VBRYZHUHQZECFQ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046672417 678488263 /nfs/dbraw/zinc/48/82/63/678488263.db2.gz VBRYZHUHQZECFQ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046672417 678488266 /nfs/dbraw/zinc/48/82/66/678488266.db2.gz VBRYZHUHQZECFQ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046683565 678488271 /nfs/dbraw/zinc/48/82/71/678488271.db2.gz CJWWDPBMPOXIQS-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3cnn[n-]3)C2)C1 ZINC001046683856 678488286 /nfs/dbraw/zinc/48/82/86/678488286.db2.gz DCZQIUHBWDNOFS-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001046683856 678488289 /nfs/dbraw/zinc/48/82/89/678488289.db2.gz DCZQIUHBWDNOFS-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001046683856 678488291 /nfs/dbraw/zinc/48/82/91/678488291.db2.gz DCZQIUHBWDNOFS-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001046684383 678488370 /nfs/dbraw/zinc/48/83/70/678488370.db2.gz HGGFVWAHQBMMFF-JQWIXIFHSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001046685688 678488676 /nfs/dbraw/zinc/48/86/76/678488676.db2.gz VNLTYYZAJSOXHV-ZJUUUORDSA-N 1 1 312.370 -2.251 20 0 DAADMO C[C@@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CCO)C1 ZINC001046697055 678488835 /nfs/dbraw/zinc/48/88/35/678488835.db2.gz ABUKOOXTAHKHSK-JRZRUSQNSA-N 1 1 310.354 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001046685398 678488908 /nfs/dbraw/zinc/48/89/08/678488908.db2.gz SLMPWLUKAYZLGK-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685398 678488910 /nfs/dbraw/zinc/48/89/10/678488910.db2.gz SLMPWLUKAYZLGK-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685398 678488912 /nfs/dbraw/zinc/48/89/12/678488912.db2.gz SLMPWLUKAYZLGK-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CCO)C1 ZINC001046697051 678488948 /nfs/dbraw/zinc/48/89/48/678488948.db2.gz ABUKOOXTAHKHSK-IMXVTNBVSA-N 1 1 310.354 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695246 678489050 /nfs/dbraw/zinc/48/90/50/678489050.db2.gz KMAIBPHQYZTFDW-RMLUDKJBSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695246 678489053 /nfs/dbraw/zinc/48/90/53/678489053.db2.gz KMAIBPHQYZTFDW-RMLUDKJBSA-N 1 1 310.354 -1.506 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695764 678489074 /nfs/dbraw/zinc/48/90/74/678489074.db2.gz OQTWEMKBJSQQIE-HNNXBMFYSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695764 678489076 /nfs/dbraw/zinc/48/90/76/678489076.db2.gz OQTWEMKBJSQQIE-HNNXBMFYSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@]1(NC(=O)c2cnon2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046716786 678490053 /nfs/dbraw/zinc/49/00/53/678490053.db2.gz NZQLBNYAVVVOPQ-ZDUSSCGKSA-N 1 1 322.325 -1.184 20 0 DAADMO C[C@]1(NC(=O)c2cnon2)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001046716786 678490055 /nfs/dbraw/zinc/49/00/55/678490055.db2.gz NZQLBNYAVVVOPQ-ZDUSSCGKSA-N 1 1 322.325 -1.184 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828307 678492343 /nfs/dbraw/zinc/49/23/43/678492343.db2.gz DTTNWXOQVIPKCJ-RTHLEPHNSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828307 678492344 /nfs/dbraw/zinc/49/23/44/678492344.db2.gz DTTNWXOQVIPKCJ-RTHLEPHNSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823172 678492384 /nfs/dbraw/zinc/49/23/84/678492384.db2.gz ZHRUHMODABZEDF-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823172 678492387 /nfs/dbraw/zinc/49/23/87/678492387.db2.gz ZHRUHMODABZEDF-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854303 678492434 /nfs/dbraw/zinc/49/24/34/678492434.db2.gz NCRDVUFHHWROPD-YGRLFVJLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828309 678492448 /nfs/dbraw/zinc/49/24/48/678492448.db2.gz DTTNWXOQVIPKCJ-XLKFXECMSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828309 678492450 /nfs/dbraw/zinc/49/24/50/678492450.db2.gz DTTNWXOQVIPKCJ-XLKFXECMSA-N 1 1 323.353 -1.446 20 0 DAADMO Cn1nc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001046822681 678492566 /nfs/dbraw/zinc/49/25/66/678492566.db2.gz SNCQPSRGRUKEHZ-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001046822681 678492568 /nfs/dbraw/zinc/49/25/68/678492568.db2.gz SNCQPSRGRUKEHZ-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046844323 678492689 /nfs/dbraw/zinc/49/26/89/678492689.db2.gz NYOLPNFCTWDRCA-JQWIXIFHSA-N 1 1 305.400 -1.095 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829230 678492708 /nfs/dbraw/zinc/49/27/08/678492708.db2.gz KHQJSPQTTHVBFQ-AWEZNQCLSA-N 1 1 323.353 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829230 678492711 /nfs/dbraw/zinc/49/27/11/678492711.db2.gz KHQJSPQTTHVBFQ-AWEZNQCLSA-N 1 1 323.353 -1.574 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859194 678493088 /nfs/dbraw/zinc/49/30/88/678493088.db2.gz LPNMDHHWTPBTMV-ZUZCIYMTSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859194 678493092 /nfs/dbraw/zinc/49/30/92/678493092.db2.gz LPNMDHHWTPBTMV-ZUZCIYMTSA-N 1 1 321.381 -1.194 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046855164 678493428 /nfs/dbraw/zinc/49/34/28/678493428.db2.gz YTEDJGRVGSWNSF-YGRLFVJLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854883 678493432 /nfs/dbraw/zinc/49/34/32/678493432.db2.gz VZJLAOOBHARBBC-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc1=O ZINC001047088147 678498802 /nfs/dbraw/zinc/49/88/02/678498802.db2.gz UKWJNWLHKYYSCK-DCAQKATOSA-N 1 1 319.365 -1.152 20 0 DAADMO O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)C1CS(=O)(=O)C1 ZINC001047077961 678498896 /nfs/dbraw/zinc/49/88/96/678498896.db2.gz SGWKVSTZFBWGHT-DLOVCJGASA-N 1 1 302.396 -1.008 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1=O ZINC001047097821 678499370 /nfs/dbraw/zinc/49/93/70/678499370.db2.gz BPZKNDODRFTUDB-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c1=O ZINC001047096586 678499530 /nfs/dbraw/zinc/49/95/30/678499530.db2.gz BAUUFMWFQISWFP-SRVKXCTJSA-N 1 1 309.370 -1.457 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001047134592 678499712 /nfs/dbraw/zinc/49/97/12/678499712.db2.gz DICONDXPMBTVEF-TUAOUCFPSA-N 1 1 324.381 -1.700 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047125225 678499789 /nfs/dbraw/zinc/49/97/89/678499789.db2.gz BBJXGLQNTINHMW-AVGNSLFASA-N 1 1 310.398 -1.620 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001047137487 678500233 /nfs/dbraw/zinc/50/02/33/678500233.db2.gz KHYMWHOICDPSRR-AXFHLTTASA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001047137488 678500606 /nfs/dbraw/zinc/50/06/06/678500606.db2.gz KHYMWHOICDPSRR-DCAQKATOSA-N 1 1 322.365 -1.410 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047162711 678501019 /nfs/dbraw/zinc/50/10/19/678501019.db2.gz SGRYYNXEIUKKOZ-DCAQKATOSA-N 1 1 310.354 -1.500 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001047177473 678501589 /nfs/dbraw/zinc/50/15/89/678501589.db2.gz PYLUFZVZZHCDAA-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c(=O)n1C ZINC001047192333 678502336 /nfs/dbraw/zinc/50/23/36/678502336.db2.gz QYRRKLNBWSEGGT-AVGNSLFASA-N 1 1 323.397 -1.148 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001047271972 678502404 /nfs/dbraw/zinc/50/24/04/678502404.db2.gz WMAYEIIAVUTPLX-SRVKXCTJSA-N 1 1 313.354 -1.980 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)nn1 ZINC001047208327 678502463 /nfs/dbraw/zinc/50/24/63/678502463.db2.gz DFGOVEAFYHHAMF-DCAQKATOSA-N 1 1 322.369 -1.662 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001047270875 678502516 /nfs/dbraw/zinc/50/25/16/678502516.db2.gz XUPZBXGDLYWKPA-QWRGUYRKSA-N 1 1 312.370 -1.160 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001047270875 678502518 /nfs/dbraw/zinc/50/25/18/678502518.db2.gz XUPZBXGDLYWKPA-QWRGUYRKSA-N 1 1 312.370 -1.160 20 0 DAADMO CN(C(=O)CC1CC1)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047276088 678502691 /nfs/dbraw/zinc/50/26/91/678502691.db2.gz HBGJJYQYFNRVEC-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)CC1CC1)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047276088 678502694 /nfs/dbraw/zinc/50/26/94/678502694.db2.gz HBGJJYQYFNRVEC-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047295866 678503684 /nfs/dbraw/zinc/50/36/84/678503684.db2.gz UREVJQGCPJHIRQ-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047295377 678503716 /nfs/dbraw/zinc/50/37/16/678503716.db2.gz LJPWZNCXCVTQTG-STQMWFEESA-N 1 1 324.385 -1.397 20 0 DAADMO CC[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1)OC ZINC001047295070 678503767 /nfs/dbraw/zinc/50/37/67/678503767.db2.gz FXEIBIKTCZXYIJ-WOPDTQHZSA-N 1 1 312.374 -1.398 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047295654 678504029 /nfs/dbraw/zinc/50/40/29/678504029.db2.gz QBWQFSPBSVJUAU-SRVKXCTJSA-N 1 1 310.358 -1.787 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047295702 678504051 /nfs/dbraw/zinc/50/40/51/678504051.db2.gz RMRNOAFRKXEVQT-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047296078 678504069 /nfs/dbraw/zinc/50/40/69/678504069.db2.gz WCIDMQDJPQMDRW-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302989 678504281 /nfs/dbraw/zinc/50/42/81/678504281.db2.gz UPXZDHUKLFIKCP-AGIUHOORSA-N 1 1 323.397 -1.137 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302989 678504283 /nfs/dbraw/zinc/50/42/83/678504283.db2.gz UPXZDHUKLFIKCP-AGIUHOORSA-N 1 1 323.397 -1.137 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047301971 678504298 /nfs/dbraw/zinc/50/42/98/678504298.db2.gz AIWLUBKHNHPSQR-WOPDTQHZSA-N 1 1 309.370 -1.350 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047301971 678504302 /nfs/dbraw/zinc/50/43/02/678504302.db2.gz AIWLUBKHNHPSQR-WOPDTQHZSA-N 1 1 309.370 -1.350 20 0 DAADMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047300174 678504646 /nfs/dbraw/zinc/50/46/46/678504646.db2.gz OCDZCIHNRMWHEC-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047300174 678504649 /nfs/dbraw/zinc/50/46/49/678504649.db2.gz OCDZCIHNRMWHEC-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047301970 678504774 /nfs/dbraw/zinc/50/47/74/678504774.db2.gz AIWLUBKHNHPSQR-SRVKXCTJSA-N 1 1 309.370 -1.350 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047301970 678504778 /nfs/dbraw/zinc/50/47/78/678504778.db2.gz AIWLUBKHNHPSQR-SRVKXCTJSA-N 1 1 309.370 -1.350 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047311537 678505092 /nfs/dbraw/zinc/50/50/92/678505092.db2.gz DSOHTDPQDPMIEB-IHRRRGAJSA-N 1 1 324.381 -1.198 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001047309978 678505217 /nfs/dbraw/zinc/50/52/17/678505217.db2.gz QBAYZERYUXCXBV-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047309978 678505220 /nfs/dbraw/zinc/50/52/20/678505220.db2.gz QBAYZERYUXCXBV-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047309978 678505223 /nfs/dbraw/zinc/50/52/23/678505223.db2.gz QBAYZERYUXCXBV-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047309978 678505225 /nfs/dbraw/zinc/50/52/25/678505225.db2.gz QBAYZERYUXCXBV-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047309978 678505227 /nfs/dbraw/zinc/50/52/27/678505227.db2.gz QBAYZERYUXCXBV-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047311538 678505465 /nfs/dbraw/zinc/50/54/65/678505465.db2.gz DSOHTDPQDPMIEB-MELADBBJSA-N 1 1 324.381 -1.198 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047322641 678507098 /nfs/dbraw/zinc/50/70/98/678507098.db2.gz RQMTWRCIPMMRNK-AVGNSLFASA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047322641 678507100 /nfs/dbraw/zinc/50/71/00/678507100.db2.gz RQMTWRCIPMMRNK-AVGNSLFASA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047325418 678507389 /nfs/dbraw/zinc/50/73/89/678507389.db2.gz CCDIWHBAVBLVBL-WYUUTHIRSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047325418 678507393 /nfs/dbraw/zinc/50/73/93/678507393.db2.gz CCDIWHBAVBLVBL-WYUUTHIRSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001047324029 678507592 /nfs/dbraw/zinc/50/75/92/678507592.db2.gz FSVIVJYRHPPDJT-AVGNSLFASA-N 1 1 322.413 -1.087 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001047331127 678508030 /nfs/dbraw/zinc/50/80/30/678508030.db2.gz AYTRUVVFVQWAMP-USWWRNFRSA-N 1 1 309.370 -1.410 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047333202 678508778 /nfs/dbraw/zinc/50/87/78/678508778.db2.gz UPIZEBYEHCZENE-AVGNSLFASA-N 1 1 321.381 -1.314 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047350847 678509516 /nfs/dbraw/zinc/50/95/16/678509516.db2.gz ONADDLUVPLOPTQ-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047354103 678510086 /nfs/dbraw/zinc/51/00/86/678510086.db2.gz ZFIBSQDFGYNYTM-AGIUHOORSA-N 1 1 301.387 -1.797 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047354336 678510406 /nfs/dbraw/zinc/51/04/06/678510406.db2.gz CHLKHUVMMRKVRP-VWYCJHECSA-N 1 1 313.358 -1.478 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047370479 678512336 /nfs/dbraw/zinc/51/23/36/678512336.db2.gz JYXAADHMEQWCKI-WOPDTQHZSA-N 1 1 309.370 -1.031 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047368842 678512400 /nfs/dbraw/zinc/51/24/00/678512400.db2.gz VQXCZFNJRQENTA-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047368842 678512404 /nfs/dbraw/zinc/51/24/04/678512404.db2.gz VQXCZFNJRQENTA-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047380533 678513413 /nfs/dbraw/zinc/51/34/13/678513413.db2.gz NQYZJJMFZITVFA-RYUDHWBXSA-N 1 1 320.357 -1.890 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047380533 678513415 /nfs/dbraw/zinc/51/34/15/678513415.db2.gz NQYZJJMFZITVFA-RYUDHWBXSA-N 1 1 320.357 -1.890 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047380380 678513685 /nfs/dbraw/zinc/51/36/85/678513685.db2.gz LYSSDUMNFUZOJQ-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047380380 678513687 /nfs/dbraw/zinc/51/36/87/678513687.db2.gz LYSSDUMNFUZOJQ-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047380394 678513821 /nfs/dbraw/zinc/51/38/21/678513821.db2.gz MKABKHLJLYLHRT-AGIUHOORSA-N 1 1 312.414 -1.152 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)ncn1 ZINC001047381174 678514093 /nfs/dbraw/zinc/51/40/93/678514093.db2.gz FZDSCALNDXLTKB-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047382098 678514167 /nfs/dbraw/zinc/51/41/67/678514167.db2.gz WRWWMRUZOUUDIG-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047381694 678514437 /nfs/dbraw/zinc/51/44/37/678514437.db2.gz QABWXHGPCKHSKA-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047381698 678514610 /nfs/dbraw/zinc/51/46/10/678514610.db2.gz QABWXHGPCKHSKA-AVGNSLFASA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047397649 678515167 /nfs/dbraw/zinc/51/51/67/678515167.db2.gz CCQRUFJEYFIRJD-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047397649 678515171 /nfs/dbraw/zinc/51/51/71/678515171.db2.gz CCQRUFJEYFIRJD-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386007 678515179 /nfs/dbraw/zinc/51/51/79/678515179.db2.gz IUDJRRVRTCDIBD-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397641 678515206 /nfs/dbraw/zinc/51/52/06/678515206.db2.gz BQGOUELVILVYLH-WOPDTQHZSA-N 1 1 324.385 -1.742 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397641 678515210 /nfs/dbraw/zinc/51/52/10/678515210.db2.gz BQGOUELVILVYLH-WOPDTQHZSA-N 1 1 324.385 -1.742 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047401390 678515688 /nfs/dbraw/zinc/51/56/88/678515688.db2.gz OQUYGPJDLKUIDT-AGIUHOORSA-N 1 1 312.414 -1.150 20 0 DAADMO CN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047409167 678516454 /nfs/dbraw/zinc/51/64/54/678516454.db2.gz CZJBZBBTBINIJM-QWRGUYRKSA-N 1 1 306.326 -1.538 20 0 DAADMO CN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047409167 678516457 /nfs/dbraw/zinc/51/64/57/678516457.db2.gz CZJBZBBTBINIJM-QWRGUYRKSA-N 1 1 306.326 -1.538 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001047409632 678516611 /nfs/dbraw/zinc/51/66/11/678516611.db2.gz QKOXTUPYRRFOMZ-UWJYBYFXSA-N 1 1 320.353 -1.149 20 0 DAADMO CN(C(=O)c1cc2c(cn1)OCCO2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047412204 678516889 /nfs/dbraw/zinc/51/68/89/678516889.db2.gz NEAYIHLFYLXRNX-RYUDHWBXSA-N 1 1 323.349 -1.038 20 0 DAADMO CN(C(=O)c1cc2c(cn1)OCCO2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047412204 678516894 /nfs/dbraw/zinc/51/68/94/678516894.db2.gz NEAYIHLFYLXRNX-RYUDHWBXSA-N 1 1 323.349 -1.038 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047414243 678516935 /nfs/dbraw/zinc/51/69/35/678516935.db2.gz IAAZXGAGRQKDLQ-DCAQKATOSA-N 1 1 310.354 -1.502 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047414922 678516942 /nfs/dbraw/zinc/51/69/42/678516942.db2.gz ZOJOXNFXLGBHIR-GUBZILKMSA-N 1 1 314.342 -2.530 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414701 678517134 /nfs/dbraw/zinc/51/71/34/678517134.db2.gz SQOVOPIYHVZVHO-GUBZILKMSA-N 1 1 314.342 -2.266 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047415447 678517160 /nfs/dbraw/zinc/51/71/60/678517160.db2.gz YMKORCFPKKTKPL-RYUDHWBXSA-N 1 1 310.354 -1.720 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047410009 678517314 /nfs/dbraw/zinc/51/73/14/678517314.db2.gz ZGKIAIXQIYAHGR-RYUDHWBXSA-N 1 1 315.370 -2.005 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 ZINC001047427824 678518347 /nfs/dbraw/zinc/51/83/47/678518347.db2.gz KECDAIXRLHKLQN-DRZSPHRISA-N 1 1 324.381 -1.089 20 0 DAADMO CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047432871 678518474 /nfs/dbraw/zinc/51/84/74/678518474.db2.gz MATWIBKXYGRRDO-RYUDHWBXSA-N 1 1 314.386 -2.744 20 0 DAADMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(=O)[nH]c1C ZINC001047425009 678518493 /nfs/dbraw/zinc/51/84/93/678518493.db2.gz CYTVTWMABKBXLR-ZHAHWJHGSA-N 1 1 324.381 -1.115 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nccn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047435589 678519118 /nfs/dbraw/zinc/51/91/18/678519118.db2.gz KSEBPVFTOWBTJL-AGIUHOORSA-N 1 1 308.382 -1.059 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001047434042 678519310 /nfs/dbraw/zinc/51/93/10/678519310.db2.gz QQLNLQRKUVYSSK-IHRRRGAJSA-N 1 1 315.414 -1.143 20 0 DAADMO CN(C(=O)c1cnn(CCF)c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047437672 678519430 /nfs/dbraw/zinc/51/94/30/678519430.db2.gz XMBNVCZXTNEJIA-RYUDHWBXSA-N 1 1 300.334 -1.038 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047434324 678519551 /nfs/dbraw/zinc/51/95/51/678519551.db2.gz TWFWNDQIGPYGLY-XQQFMLRXSA-N 1 1 301.387 -1.797 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001047442056 678520168 /nfs/dbraw/zinc/52/01/68/678520168.db2.gz XZMXWFOFSFBWOE-WXHSDQCUSA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)c1cccc2ncnn21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047446534 678520714 /nfs/dbraw/zinc/52/07/14/678520714.db2.gz HOKLQURGTURKMN-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO COc1nccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001047453068 678521281 /nfs/dbraw/zinc/52/12/81/678521281.db2.gz MIWQLZCAYWNORV-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047451340 678521370 /nfs/dbraw/zinc/52/13/70/678521370.db2.gz YDSPHUYGYKQINL-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C(=O)c1cc2n(n1)CCCO2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047453369 678521439 /nfs/dbraw/zinc/52/14/39/678521439.db2.gz UUYSNJSLWOTGBI-RYUDHWBXSA-N 1 1 310.354 -1.225 20 0 DAADMO CN(C(=O)c1cc2n(n1)CCCO2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047453369 678521444 /nfs/dbraw/zinc/52/14/44/678521444.db2.gz UUYSNJSLWOTGBI-RYUDHWBXSA-N 1 1 310.354 -1.225 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047458021 678521803 /nfs/dbraw/zinc/52/18/03/678521803.db2.gz FMRSLIZHAOBUTM-SRVKXCTJSA-N 1 1 309.370 -1.431 20 0 DAADMO CN(C(=O)c1ccc2nnnn2c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047457700 678521842 /nfs/dbraw/zinc/52/18/42/678521842.db2.gz JVIODBHORDKXNT-RYUDHWBXSA-N 1 1 320.353 -1.376 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047458751 678522066 /nfs/dbraw/zinc/52/20/66/678522066.db2.gz DHALSZIITZBKLK-AGIUHOORSA-N 1 1 321.381 -1.416 20 0 DAADMO COc1c[nH]c(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001047458285 678522268 /nfs/dbraw/zinc/52/22/68/678522268.db2.gz JPZREXKYLKEBFW-JQWIXIFHSA-N 1 1 311.338 -1.507 20 0 DAADMO COc1c[nH]c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001047458285 678522269 /nfs/dbraw/zinc/52/22/69/678522269.db2.gz JPZREXKYLKEBFW-JQWIXIFHSA-N 1 1 311.338 -1.507 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001047468597 678522611 /nfs/dbraw/zinc/52/26/11/678522611.db2.gz LGJVUOQMCKNXKO-SRVKXCTJSA-N 1 1 307.354 -1.111 20 0 DAADMO CC(C)=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047484298 678523918 /nfs/dbraw/zinc/52/39/18/678523918.db2.gz QIQLHVSXVDHJOX-KBPBESRZSA-N 1 1 324.425 -1.112 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486376 678524105 /nfs/dbraw/zinc/52/41/05/678524105.db2.gz KCRBSWGOPQGFDD-RFGFWPKPSA-N 1 1 324.425 -1.185 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483656 678524154 /nfs/dbraw/zinc/52/41/54/678524154.db2.gz FLFMVTYMOVUMEV-RYUDHWBXSA-N 1 1 314.386 -2.432 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047483555 678524159 /nfs/dbraw/zinc/52/41/59/678524159.db2.gz QHWNKOUNZOHBLG-RYUDHWBXSA-N 1 1 312.370 -1.072 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047484527 678524184 /nfs/dbraw/zinc/52/41/84/678524184.db2.gz YXQGOZNQULRMRZ-RNJOBUHISA-N 1 1 312.414 -1.281 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047483917 678524192 /nfs/dbraw/zinc/52/41/92/678524192.db2.gz NAFQLTDXWOBKHY-AVGNSLFASA-N 1 1 321.381 -1.477 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 ZINC001047482988 678524206 /nfs/dbraw/zinc/52/42/06/678524206.db2.gz RVVPBIJVBIXCMJ-DLOVCJGASA-N 1 1 320.353 -1.378 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047489021 678524614 /nfs/dbraw/zinc/52/46/14/678524614.db2.gz MZKKAEZMXKCSHD-WOPDTQHZSA-N 1 1 324.385 -1.246 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047489019 678524621 /nfs/dbraw/zinc/52/46/21/678524621.db2.gz MZKKAEZMXKCSHD-SRVKXCTJSA-N 1 1 324.385 -1.246 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047490399 678524751 /nfs/dbraw/zinc/52/47/51/678524751.db2.gz UKDHYEKUOALVLQ-SRVKXCTJSA-N 1 1 324.385 -1.104 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047489366 678524937 /nfs/dbraw/zinc/52/49/37/678524937.db2.gz RIALIWUEDNDHHE-WOPDTQHZSA-N 1 1 324.385 -1.104 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047492249 678525459 /nfs/dbraw/zinc/52/54/59/678525459.db2.gz AZTLTSYGPQMJIL-XUXIUFHCSA-N 1 1 324.425 -1.137 20 0 DAADMO CN(C(=O)[C@]1(C)CCC(=O)NC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047498035 678525526 /nfs/dbraw/zinc/52/55/26/678525526.db2.gz BVZBYCLJFBTEEU-SLEUVZQESA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047497138 678525688 /nfs/dbraw/zinc/52/56/88/678525688.db2.gz OJSODZJXQQPFGJ-MIMYLULJSA-N 1 1 310.354 -1.011 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047496858 678525739 /nfs/dbraw/zinc/52/57/39/678525739.db2.gz LQLQHZRREHVUAR-QWRGUYRKSA-N 1 1 310.354 -1.010 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047506654 678526093 /nfs/dbraw/zinc/52/60/93/678526093.db2.gz ARCSCTKHGPCYRR-QWRGUYRKSA-N 1 1 310.358 -2.116 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047506654 678526095 /nfs/dbraw/zinc/52/60/95/678526095.db2.gz ARCSCTKHGPCYRR-QWRGUYRKSA-N 1 1 310.358 -2.116 20 0 DAADMO CN(C(=O)c1ccnc2c1nnn2C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047504582 678526291 /nfs/dbraw/zinc/52/62/91/678526291.db2.gz OJNCWWMUTBXTLB-QWRGUYRKSA-N 1 1 320.353 -1.527 20 0 DAADMO Cc1ncsc1CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510341 678527375 /nfs/dbraw/zinc/52/73/75/678527375.db2.gz MHCLFYXOIJTTQL-UWVGGRQHSA-N 1 1 312.395 -1.017 20 0 DAADMO Cc1ncsc1CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001047510341 678527377 /nfs/dbraw/zinc/52/73/77/678527377.db2.gz MHCLFYXOIJTTQL-UWVGGRQHSA-N 1 1 312.395 -1.017 20 0 DAADMO CN(C(=O)c1cccc(=O)n1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047523013 678527651 /nfs/dbraw/zinc/52/76/51/678527651.db2.gz SHZKQDBTAXCHQO-STQMWFEESA-N 1 1 309.366 -1.115 20 0 DAADMO CN(C(=O)[C@H]1CCCCC(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047525094 678527971 /nfs/dbraw/zinc/52/79/71/678527971.db2.gz NCNDTFLAAVKNEU-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047527104 678527979 /nfs/dbraw/zinc/52/79/79/678527979.db2.gz XHYQJXHBHWLSRI-ZDEQEGDKSA-N 1 1 311.382 -1.067 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)[nH]1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047530013 678528242 /nfs/dbraw/zinc/52/82/42/678528242.db2.gz ZLEUGFKASSJQHI-RYUDHWBXSA-N 1 1 310.354 -1.387 20 0 DAADMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047528776 678528496 /nfs/dbraw/zinc/52/84/96/678528496.db2.gz BLUSTIRMAHXGLY-RYUDHWBXSA-N 1 1 312.414 -1.293 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047528704 678528625 /nfs/dbraw/zinc/52/86/25/678528625.db2.gz YFKGSTHFVRCIRS-AGIUHOORSA-N 1 1 312.414 -1.422 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001047534654 678528669 /nfs/dbraw/zinc/52/86/69/678528669.db2.gz ZNRZIBNWIBTMRO-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001047534654 678528673 /nfs/dbraw/zinc/52/86/73/678528673.db2.gz ZNRZIBNWIBTMRO-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047545274 678528914 /nfs/dbraw/zinc/52/89/14/678528914.db2.gz OPPMGCYQTNSORF-AVGNSLFASA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047545274 678528917 /nfs/dbraw/zinc/52/89/17/678528917.db2.gz OPPMGCYQTNSORF-AVGNSLFASA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047544990 678528923 /nfs/dbraw/zinc/52/89/23/678528923.db2.gz MCYIQRXHQRGXLH-AVGNSLFASA-N 1 1 321.381 -1.314 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047544990 678528927 /nfs/dbraw/zinc/52/89/27/678528927.db2.gz MCYIQRXHQRGXLH-AVGNSLFASA-N 1 1 321.381 -1.314 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047548996 678528939 /nfs/dbraw/zinc/52/89/39/678528939.db2.gz LSDQJPFPLIDPLH-XKNYDFJKSA-N 1 1 314.342 -2.531 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047548409 678529048 /nfs/dbraw/zinc/52/90/48/678529048.db2.gz CNBPEGYSFIAZGQ-DCAQKATOSA-N 1 1 310.354 -1.502 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544502 678529160 /nfs/dbraw/zinc/52/91/60/678529160.db2.gz BSQUTURGYYXDDL-WOPDTQHZSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544502 678529162 /nfs/dbraw/zinc/52/91/62/678529162.db2.gz BSQUTURGYYXDDL-WOPDTQHZSA-N 1 1 309.370 -1.280 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047544989 678529242 /nfs/dbraw/zinc/52/92/42/678529242.db2.gz MCYIQRXHQRGXLH-AGIUHOORSA-N 1 1 321.381 -1.314 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047544989 678529244 /nfs/dbraw/zinc/52/92/44/678529244.db2.gz MCYIQRXHQRGXLH-AGIUHOORSA-N 1 1 321.381 -1.314 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001047549197 678529264 /nfs/dbraw/zinc/52/92/64/678529264.db2.gz TXWPSLXZPLYFAA-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001047549197 678529266 /nfs/dbraw/zinc/52/92/66/678529266.db2.gz TXWPSLXZPLYFAA-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047545271 678529389 /nfs/dbraw/zinc/52/93/89/678529389.db2.gz OPPMGCYQTNSORF-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047545271 678529392 /nfs/dbraw/zinc/52/93/92/678529392.db2.gz OPPMGCYQTNSORF-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001047561138 678530353 /nfs/dbraw/zinc/53/03/53/678530353.db2.gz SXRDMXVLMHWWFK-USQDWFKJSA-N 1 1 310.354 -1.502 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001047561447 678530385 /nfs/dbraw/zinc/53/03/85/678530385.db2.gz KVKLQGZFXAIBPA-DCAQKATOSA-N 1 1 305.400 -1.456 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001047559458 678530492 /nfs/dbraw/zinc/53/04/92/678530492.db2.gz UOAAAKFOIWSLNJ-SSOKKCIESA-N 1 1 324.381 -1.112 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047563411 678530734 /nfs/dbraw/zinc/53/07/34/678530734.db2.gz ILAVJBGMFHELRJ-QWRGUYRKSA-N 1 1 313.354 -2.075 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047568095 678531039 /nfs/dbraw/zinc/53/10/39/678531039.db2.gz INUDIEBSJOMNKJ-UWVGGRQHSA-N 1 1 314.342 -2.576 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047569678 678531149 /nfs/dbraw/zinc/53/11/49/678531149.db2.gz BSRWTHFHQJGBLU-RYUDHWBXSA-N 1 1 319.369 -1.102 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047569678 678531150 /nfs/dbraw/zinc/53/11/50/678531150.db2.gz BSRWTHFHQJGBLU-RYUDHWBXSA-N 1 1 319.369 -1.102 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001047572080 678531948 /nfs/dbraw/zinc/53/19/48/678531948.db2.gz AOVSFIFYBQWNOG-VWYCJHECSA-N 1 1 320.353 -1.378 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047589544 678533917 /nfs/dbraw/zinc/53/39/17/678533917.db2.gz JXKGTJMCOKJAAU-KCQAQPDRSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047593078 678534352 /nfs/dbraw/zinc/53/43/52/678534352.db2.gz QUWPOSKRBBQGQV-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047593077 678534614 /nfs/dbraw/zinc/53/46/14/678534614.db2.gz QUWPOSKRBBQGQV-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO CN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047593621 678534836 /nfs/dbraw/zinc/53/48/36/678534836.db2.gz PJSOLOCUKRMMGY-BPNCWPANSA-N 1 1 323.397 -1.205 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001047605337 678535188 /nfs/dbraw/zinc/53/51/88/678535188.db2.gz GNFDMGWGMOTZRF-STQMWFEESA-N 1 1 324.381 -1.298 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047603386 678535299 /nfs/dbraw/zinc/53/52/99/678535299.db2.gz LGKQAGUOSSJMJP-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047603386 678535303 /nfs/dbraw/zinc/53/53/03/678535303.db2.gz LGKQAGUOSSJMJP-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047603776 678535545 /nfs/dbraw/zinc/53/55/45/678535545.db2.gz YTQIKBCMYGDAJI-SAXRGWBVSA-N 1 1 313.398 -1.118 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c(=O)n1C ZINC001047613587 678536057 /nfs/dbraw/zinc/53/60/57/678536057.db2.gz KHLAOOWNOCNCGK-STQMWFEESA-N 1 1 323.397 -1.196 20 0 DAADMO COc1c(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cnn1C ZINC001047610135 678536455 /nfs/dbraw/zinc/53/64/55/678536455.db2.gz PRZCCBCUZFUQSS-USWWRNFRSA-N 1 1 312.370 -1.073 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047613539 678536493 /nfs/dbraw/zinc/53/64/93/678536493.db2.gz IQTFKEXIUWSBGT-AVGNSLFASA-N 1 1 315.370 -2.271 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047619129 678536626 /nfs/dbraw/zinc/53/66/26/678536626.db2.gz CCXDBMPYIPTMCO-UWVGGRQHSA-N 1 1 314.342 -2.576 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620052 678536698 /nfs/dbraw/zinc/53/66/98/678536698.db2.gz JNKGOCAUVANCLV-SRVKXCTJSA-N 1 1 324.385 -1.742 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620052 678536700 /nfs/dbraw/zinc/53/67/00/678536700.db2.gz JNKGOCAUVANCLV-SRVKXCTJSA-N 1 1 324.385 -1.742 20 0 DAADMO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047619265 678536754 /nfs/dbraw/zinc/53/67/54/678536754.db2.gz IIOIAFGGJZXPHG-RYUDHWBXSA-N 1 1 324.381 -1.206 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001047619128 678536978 /nfs/dbraw/zinc/53/69/78/678536978.db2.gz CCQBAEJWNSOVBJ-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047620081 678537065 /nfs/dbraw/zinc/53/70/65/678537065.db2.gz KDEPOLNJCZKDEJ-AGIUHOORSA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047620654 678537703 /nfs/dbraw/zinc/53/77/03/678537703.db2.gz SIFZTWYUAOHWHB-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047620654 678537705 /nfs/dbraw/zinc/53/77/05/678537705.db2.gz SIFZTWYUAOHWHB-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047622916 678537771 /nfs/dbraw/zinc/53/77/71/678537771.db2.gz BBAUHFFRIFHVPA-STQMWFEESA-N 1 1 307.350 -1.105 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001047632038 678538348 /nfs/dbraw/zinc/53/83/48/678538348.db2.gz WSCBWCITZMXHQO-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 ZINC001047631668 678538364 /nfs/dbraw/zinc/53/83/64/678538364.db2.gz RNWAYPWNFWTIJT-STQMWFEESA-N 1 1 322.365 -1.056 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047633709 678538859 /nfs/dbraw/zinc/53/88/59/678538859.db2.gz ILSRLEJYZVPAIZ-SDDRHHMPSA-N 1 1 314.386 -2.304 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047633709 678538862 /nfs/dbraw/zinc/53/88/62/678538862.db2.gz ILSRLEJYZVPAIZ-SDDRHHMPSA-N 1 1 314.386 -2.304 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 ZINC001047637022 678539128 /nfs/dbraw/zinc/53/91/28/678539128.db2.gz USHYPYRNXGNBSG-DLOVCJGASA-N 1 1 322.365 -1.322 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001047640001 678539393 /nfs/dbraw/zinc/53/93/93/678539393.db2.gz WHEIDACODWRHPR-QWRGUYRKSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 ZINC001047637023 678539412 /nfs/dbraw/zinc/53/94/12/678539412.db2.gz USHYPYRNXGNBSG-USWWRNFRSA-N 1 1 322.365 -1.322 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047640019 678539544 /nfs/dbraw/zinc/53/95/44/678539544.db2.gz XZWZHUFPNCZSBM-RYUDHWBXSA-N 1 1 322.369 -1.710 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047639667 678539600 /nfs/dbraw/zinc/53/96/00/678539600.db2.gz KMHHOUYOMLRIGM-UWVGGRQHSA-N 1 1 312.330 -3.127 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047639667 678539603 /nfs/dbraw/zinc/53/96/03/678539603.db2.gz KMHHOUYOMLRIGM-UWVGGRQHSA-N 1 1 312.330 -3.127 20 0 DAADMO CN(C(=O)c1cccc(C(N)=O)n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047643998 678539630 /nfs/dbraw/zinc/53/96/30/678539630.db2.gz YMKDBSQVGIQDCR-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1cccc(C(N)=O)n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047643998 678539633 /nfs/dbraw/zinc/53/96/33/678539633.db2.gz YMKDBSQVGIQDCR-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001047648629 678539997 /nfs/dbraw/zinc/53/99/97/678539997.db2.gz VLNANCPOXHPZNO-RHYQMDGZSA-N 1 1 314.386 -1.586 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001047704746 678541034 /nfs/dbraw/zinc/54/10/34/678541034.db2.gz MOICNYBIVNDOTH-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930411 678541632 /nfs/dbraw/zinc/54/16/32/678541632.db2.gz DKFJUNOHQOPTFI-IUCAKERBSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930412 678541782 /nfs/dbraw/zinc/54/17/82/678541782.db2.gz DKFJUNOHQOPTFI-RKDXNWHRSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952462 678542306 /nfs/dbraw/zinc/54/23/06/678542306.db2.gz ZBSFZDIYKVDSQU-ZJUUUORDSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055919 678544797 /nfs/dbraw/zinc/54/47/97/678544797.db2.gz LOECBSQCQFQYQS-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048130546 678546080 /nfs/dbraw/zinc/54/60/80/678546080.db2.gz VFVNHTBMWRZHEP-UWVGGRQHSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048242636 678548065 /nfs/dbraw/zinc/54/80/65/678548065.db2.gz PAHLSSWIQMQORL-ZJUUUORDSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048249743 678548124 /nfs/dbraw/zinc/54/81/24/678548124.db2.gz SXUONMLQEMQUEB-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048257208 678548743 /nfs/dbraw/zinc/54/87/43/678548743.db2.gz WEULOXGUCULRIK-VHSXEESVSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048277386 678548890 /nfs/dbraw/zinc/54/88/90/678548890.db2.gz YCOSWHHCOFHLET-MNOVXSKESA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048345594 678549671 /nfs/dbraw/zinc/54/96/71/678549671.db2.gz VKCOZHRUGYFOIT-DTWKUNHWSA-N 1 1 320.361 -1.769 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048365649 678549774 /nfs/dbraw/zinc/54/97/74/678549774.db2.gz KBSAJKLODORESM-NXEZZACHSA-N 1 1 321.385 -1.340 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048345595 678549868 /nfs/dbraw/zinc/54/98/68/678549868.db2.gz VKCOZHRUGYFOIT-IUCAKERBSA-N 1 1 320.361 -1.769 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048460523 678551674 /nfs/dbraw/zinc/55/16/74/678551674.db2.gz MNVMVZJSZWYUMU-WDEREUQCSA-N 1 1 319.373 -1.314 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001048557530 678552759 /nfs/dbraw/zinc/55/27/59/678552759.db2.gz CXYOOPOLNZGRCE-USZNOCQGSA-N 1 1 323.397 -1.227 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001048605268 678553858 /nfs/dbraw/zinc/55/38/58/678553858.db2.gz POQZLSSSTVYBKE-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001048612954 678554586 /nfs/dbraw/zinc/55/45/86/678554586.db2.gz PLMHRNHZZAUWFL-QWRGUYRKSA-N 1 1 314.386 -1.768 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048607962 678554616 /nfs/dbraw/zinc/55/46/16/678554616.db2.gz CRQBVKAALUFZIG-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001048630850 678555225 /nfs/dbraw/zinc/55/52/25/678555225.db2.gz SXCSTGLNWKPXGQ-TXEJJXNPSA-N 1 1 324.381 -2.019 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048690689 678555779 /nfs/dbraw/zinc/55/57/79/678555779.db2.gz OKWIRGVVZHGNKH-NDBYEHHHSA-N 1 1 311.382 -1.074 20 0 DAADMO CC(C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001048686224 678555917 /nfs/dbraw/zinc/55/59/17/678555917.db2.gz YAZCTIMCKDCOOA-BETUJISGSA-N 1 1 322.409 -1.009 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048691043 678555923 /nfs/dbraw/zinc/55/59/23/678555923.db2.gz WCMYBGTVEVDXPB-RNJOBUHISA-N 1 1 309.366 -1.320 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048690727 678556065 /nfs/dbraw/zinc/55/60/65/678556065.db2.gz OZJRSVRVZQSUGE-XQQFMLRXSA-N 1 1 311.382 -1.120 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)C1=O ZINC001048723786 678557211 /nfs/dbraw/zinc/55/72/11/678557211.db2.gz PNVGPVSVVPJAKD-XQHKEYJVSA-N 1 1 320.393 -1.114 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048723569 678557318 /nfs/dbraw/zinc/55/73/18/678557318.db2.gz IVZSMURCFRFEEM-WRWGMCAJSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048732549 678557940 /nfs/dbraw/zinc/55/79/40/678557940.db2.gz FDYHDBGUCCYKRU-PHIMTYICSA-N 1 1 322.365 -1.599 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C1 ZINC001048730966 678557987 /nfs/dbraw/zinc/55/79/87/678557987.db2.gz DHJUHKQCUJQFHC-BBBLOLIVSA-N 1 1 304.354 -1.064 20 0 DAADMO Nc1nccnc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048731149 678558172 /nfs/dbraw/zinc/55/81/72/678558172.db2.gz NFTLCXXOBCATLZ-AXFHLTTASA-N 1 1 316.365 -1.049 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048734854 678558681 /nfs/dbraw/zinc/55/86/81/678558681.db2.gz YJYQYHQBWJXHMR-AOOOYVTPSA-N 1 1 303.384 -1.703 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048734854 678558689 /nfs/dbraw/zinc/55/86/89/678558689.db2.gz YJYQYHQBWJXHMR-AOOOYVTPSA-N 1 1 303.384 -1.703 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O ZINC001048734285 678558707 /nfs/dbraw/zinc/55/87/07/678558707.db2.gz OTMCNYMSGGYWJB-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739629 678559109 /nfs/dbraw/zinc/55/91/09/678559109.db2.gz MNBMJAIZMHKRJW-IGQOVBAYSA-N 1 1 324.425 -1.158 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048762156 678559333 /nfs/dbraw/zinc/55/93/33/678559333.db2.gz CODBZTMVGMJFAT-NDBYEHHHSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048776290 678559363 /nfs/dbraw/zinc/55/93/63/678559363.db2.gz SPRHYSPOYBVHGU-FQUUOJAGSA-N 1 1 324.425 -1.158 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048772790 678559560 /nfs/dbraw/zinc/55/95/60/678559560.db2.gz CKFHOCFDVPEPFK-HZSPNIEDSA-N 1 1 322.409 -1.403 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762823 678559567 /nfs/dbraw/zinc/55/95/67/678559567.db2.gz MYPHUNCTXOBDOJ-FIQHERPVSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048777094 678559730 /nfs/dbraw/zinc/55/97/30/678559730.db2.gz LIVZPFKAORPUGG-RFQIPJPRSA-N 1 1 322.409 -1.404 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048775029 678559735 /nfs/dbraw/zinc/55/97/35/678559735.db2.gz GZGAQELTPLRXRD-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048772713 678559802 /nfs/dbraw/zinc/55/98/02/678559802.db2.gz ADGFYEYDPGQDNV-RWMBFGLXSA-N 1 1 310.398 -1.417 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)cc1=O ZINC001048790768 678560042 /nfs/dbraw/zinc/56/00/42/678560042.db2.gz HMFGHKCYIBLWCR-OUAUKWLOSA-N 1 1 320.349 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C1 ZINC001048787744 678560138 /nfs/dbraw/zinc/56/01/38/678560138.db2.gz JDXDNPSQBPIEFG-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)cc1=O ZINC001048790767 678560202 /nfs/dbraw/zinc/56/02/02/678560202.db2.gz HMFGHKCYIBLWCR-AXFHLTTASA-N 1 1 320.349 -1.129 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)n1 ZINC001048792621 678560275 /nfs/dbraw/zinc/56/02/75/678560275.db2.gz AZEVCQLFXVKMLZ-UMNHJUIQSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)n1 ZINC001048792621 678560277 /nfs/dbraw/zinc/56/02/77/678560277.db2.gz AZEVCQLFXVKMLZ-UMNHJUIQSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)n1 ZINC001048792620 678560463 /nfs/dbraw/zinc/56/04/63/678560463.db2.gz AZEVCQLFXVKMLZ-JFGNBEQYSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)n1 ZINC001048792620 678560467 /nfs/dbraw/zinc/56/04/67/678560467.db2.gz AZEVCQLFXVKMLZ-JFGNBEQYSA-N 1 1 320.353 -1.186 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048777815 678560515 /nfs/dbraw/zinc/56/05/15/678560515.db2.gz SKVWMUGYPGZEKU-FRRDWIJNSA-N 1 1 310.398 -1.547 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048777399 678560635 /nfs/dbraw/zinc/56/06/35/678560635.db2.gz OELXZRBWJRMWJF-MJBXVCDLSA-N 1 1 324.425 -1.205 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796605 678560742 /nfs/dbraw/zinc/56/07/42/678560742.db2.gz YAQRUAYKYWBXJV-OUAUKWLOSA-N 1 1 304.354 -1.293 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001048796336 678560815 /nfs/dbraw/zinc/56/08/15/678560815.db2.gz MCIMJRQHTGGHEE-UMNHJUIQSA-N 1 1 322.365 -1.236 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001048801369 678560928 /nfs/dbraw/zinc/56/09/28/678560928.db2.gz QMRSTZKMGYVIJY-GARJFASQSA-N 1 1 306.370 -1.047 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793608 678561006 /nfs/dbraw/zinc/56/10/06/678561006.db2.gz KGBPHWKBEGJZQU-VLEAKVRGSA-N 1 1 310.354 -1.251 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794485 678561039 /nfs/dbraw/zinc/56/10/39/678561039.db2.gz WUGNSSUBIJPNTQ-WISYIIOYSA-N 1 1 324.381 -1.038 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796183 678561070 /nfs/dbraw/zinc/56/10/70/678561070.db2.gz GGVSNMXFVGEZEY-ZRUFSTJUSA-N 1 1 308.338 -1.627 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001048800154 678561202 /nfs/dbraw/zinc/56/12/02/678561202.db2.gz ADVRNSUTMIVLNY-PHIMTYICSA-N 1 1 306.370 -1.093 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048796047 678561240 /nfs/dbraw/zinc/56/12/40/678561240.db2.gz BCSIEVARXWIBIU-WHOHXGKFSA-N 1 1 322.365 -1.236 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048821947 678561494 /nfs/dbraw/zinc/56/14/94/678561494.db2.gz KQYJBKDZRIFVBE-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048821947 678561499 /nfs/dbraw/zinc/56/14/99/678561499.db2.gz KQYJBKDZRIFVBE-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821941 678561701 /nfs/dbraw/zinc/56/17/01/678561701.db2.gz KBTIKZUBTNFBCU-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821941 678561704 /nfs/dbraw/zinc/56/17/04/678561704.db2.gz KBTIKZUBTNFBCU-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CO[C@@H]3CCOC3)C[C@H]2C1 ZINC001048818589 678561791 /nfs/dbraw/zinc/56/17/91/678561791.db2.gz LJLCSIQEOMIYCO-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)cn1 ZINC001048821970 678561819 /nfs/dbraw/zinc/56/18/19/678561819.db2.gz LJEIBJINJAUCLX-BETUJISGSA-N 1 1 316.369 -1.003 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)[nH]1 ZINC001048813125 678561899 /nfs/dbraw/zinc/56/18/99/678561899.db2.gz FVBRQDWZIAUGEL-TUAOUCFPSA-N 1 1 318.381 -1.066 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048823014 678562461 /nfs/dbraw/zinc/56/24/61/678562461.db2.gz VFYZQSVKQRMYPL-TXEJJXNPSA-N 1 1 317.357 -1.645 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048825421 678562515 /nfs/dbraw/zinc/56/25/15/678562515.db2.gz VASYIRYXPMRONY-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1)NC1CC1 ZINC001048822285 678562565 /nfs/dbraw/zinc/56/25/65/678562565.db2.gz ZVAUMYZZTBLVJV-PHIMTYICSA-N 1 1 319.369 -1.658 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048822190 678562620 /nfs/dbraw/zinc/56/26/20/678562620.db2.gz UICNSFFBLYYJFZ-AOOOYVTPSA-N 1 1 304.314 -1.354 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048822190 678562623 /nfs/dbraw/zinc/56/26/23/678562623.db2.gz UICNSFFBLYYJFZ-AOOOYVTPSA-N 1 1 304.314 -1.354 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC001048838836 678563322 /nfs/dbraw/zinc/56/33/22/678563322.db2.gz RQPUCOLYQRCTEU-MXWKQRLJSA-N 1 1 302.396 -1.198 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C1 ZINC001048838834 678563360 /nfs/dbraw/zinc/56/33/60/678563360.db2.gz RQPUCOLYQRCTEU-GARJFASQSA-N 1 1 302.396 -1.198 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848936 678563417 /nfs/dbraw/zinc/56/34/17/678563417.db2.gz YQYXSODICAZAST-FIQHERPVSA-N 1 1 308.382 -1.271 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048842742 678563515 /nfs/dbraw/zinc/56/35/15/678563515.db2.gz HMYOWZUGLZQFEH-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048868509 678563804 /nfs/dbraw/zinc/56/38/04/678563804.db2.gz BNOBXHKDSGMTDB-AXFHLTTASA-N 1 1 310.354 -1.643 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048857748 678564139 /nfs/dbraw/zinc/56/41/39/678564139.db2.gz CLQUHBAPUCUHGH-SDDRHHMPSA-N 1 1 308.382 -1.222 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)c1=O ZINC001048850770 678564182 /nfs/dbraw/zinc/56/41/82/678564182.db2.gz NKCXBFNHRZVRCQ-TXEJJXNPSA-N 1 1 324.356 -1.093 20 0 DAADMO CN1CC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1=O ZINC001048879310 678564695 /nfs/dbraw/zinc/56/46/95/678564695.db2.gz MHKFTPVTVVHJJS-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048881476 678564844 /nfs/dbraw/zinc/56/48/44/678564844.db2.gz YHOVZCHWCAIUSQ-XQHKEYJVSA-N 1 1 320.393 -1.066 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048911037 678565386 /nfs/dbraw/zinc/56/53/86/678565386.db2.gz SBZDAFUUUGSECL-IGQOVBAYSA-N 1 1 324.425 -1.029 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048911039 678565475 /nfs/dbraw/zinc/56/54/75/678565475.db2.gz SBZDAFUUUGSECL-YIYPIFLZSA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048906491 678565586 /nfs/dbraw/zinc/56/55/86/678565586.db2.gz MDRFUJZFFMCHLB-PHIMTYICSA-N 1 1 322.369 -2.282 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891926 678565693 /nfs/dbraw/zinc/56/56/93/678565693.db2.gz WKMOKKHCQXFQJW-XHJNMGKDSA-N 1 1 324.425 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048913260 678565707 /nfs/dbraw/zinc/56/57/07/678565707.db2.gz YQIRHFGOIWWAPV-SDDRHHMPSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912995 678565783 /nfs/dbraw/zinc/56/57/83/678565783.db2.gz TYERGJJWTZRKEL-KXNHARMFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891925 678565843 /nfs/dbraw/zinc/56/58/43/678565843.db2.gz WKMOKKHCQXFQJW-XGFWRYKXSA-N 1 1 324.425 -1.031 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048913299 678566383 /nfs/dbraw/zinc/56/63/83/678566383.db2.gz ZAROJAPUICXAED-RVMXOQNASA-N 1 1 320.393 -1.209 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC001048917587 678566433 /nfs/dbraw/zinc/56/64/33/678566433.db2.gz LWKXCWUNTXOSRF-PHIMTYICSA-N 1 1 309.370 -1.723 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048922726 678566495 /nfs/dbraw/zinc/56/64/95/678566495.db2.gz DWOWZWPGVQSOCB-TXEJJXNPSA-N 1 1 322.365 -1.279 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048914510 678566567 /nfs/dbraw/zinc/56/65/67/678566567.db2.gz RYBOLUNBHPUXME-PHIMTYICSA-N 1 1 319.369 -1.166 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048924067 678566616 /nfs/dbraw/zinc/56/66/16/678566616.db2.gz OHCIBEULZUYGAM-SDDRHHMPSA-N 1 1 302.396 -1.196 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048920574 678566626 /nfs/dbraw/zinc/56/66/26/678566626.db2.gz CGJZGOKYUJGCPP-PHIMTYICSA-N 1 1 319.365 -1.387 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048923126 678566681 /nfs/dbraw/zinc/56/66/81/678566681.db2.gz OFAAVWPVDGJCLL-PHIMTYICSA-N 1 1 308.338 -1.669 20 0 DAADMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1C ZINC001048929799 678566695 /nfs/dbraw/zinc/56/66/95/678566695.db2.gz PNEJHOMJDHXGLJ-AOOOYVTPSA-N 1 1 307.354 -1.082 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048956271 678566903 /nfs/dbraw/zinc/56/69/03/678566903.db2.gz STGMCWWETYPMRC-OZVIIMIRSA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048956270 678567188 /nfs/dbraw/zinc/56/71/88/678567188.db2.gz STGMCWWETYPMRC-BFQNTYOBSA-N 1 1 322.409 -1.009 20 0 DAADMO CO[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)c1cnn(C)c1 ZINC001048962806 678567203 /nfs/dbraw/zinc/56/72/03/678567203.db2.gz SCAFOLORPAXKGM-MBNYWOFBSA-N 1 1 321.381 -1.017 20 0 DAADMO CO[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@H]1CCOC1 ZINC001048960122 678567213 /nfs/dbraw/zinc/56/72/13/678567213.db2.gz SOMGNNYPRWLQKE-FMSGJZPZSA-N 1 1 311.382 -1.087 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048977724 678568687 /nfs/dbraw/zinc/56/86/87/678568687.db2.gz JUYALOXMDXJUNR-XQHKEYJVSA-N 1 1 320.393 -1.209 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977758 678568774 /nfs/dbraw/zinc/56/87/74/678568774.db2.gz LETNUJRIUQRDHL-MCIONIFRSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C[C@H]2C1 ZINC001048978421 678568837 /nfs/dbraw/zinc/56/88/37/678568837.db2.gz ANIJJOQWBBLBFY-KXNHARMFSA-N 1 1 308.382 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992146 678569381 /nfs/dbraw/zinc/56/93/81/678569381.db2.gz DKKVRVKSSSSBEE-FVCCEPFGSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991444 678569409 /nfs/dbraw/zinc/56/94/09/678569409.db2.gz WJSUUEFMTPRYGQ-GARJFASQSA-N 1 1 321.385 -1.309 20 0 DAADMO CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001048984132 678569510 /nfs/dbraw/zinc/56/95/10/678569510.db2.gz DLRNJYBTJGJRLP-MJBXVCDLSA-N 1 1 323.397 -1.137 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992148 678569521 /nfs/dbraw/zinc/56/95/21/678569521.db2.gz DKKVRVKSSSSBEE-RVMXOQNASA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992077 678569670 /nfs/dbraw/zinc/56/96/70/678569670.db2.gz BJFCRHNTXHLXRU-GRYCIOLGSA-N 1 1 308.382 -1.399 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992532 678569716 /nfs/dbraw/zinc/56/97/16/678569716.db2.gz JUASSPNIYMYXGH-XQQFMLRXSA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991321 678569813 /nfs/dbraw/zinc/56/98/13/678569813.db2.gz QGWDEORRARIWQR-LPEHRKFASA-N 1 1 307.358 -1.652 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001049002499 678569940 /nfs/dbraw/zinc/56/99/40/678569940.db2.gz AMBOCPLWUHCYCB-NNYUYHANSA-N 1 1 308.382 -1.129 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018990 678569954 /nfs/dbraw/zinc/56/99/54/678569954.db2.gz NLOXJEAXOYQMFI-LMLFDSFASA-N 1 1 309.370 -1.678 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)COc3cnn(C)c3)C[C@H]2C1 ZINC001049012218 678569969 /nfs/dbraw/zinc/56/99/69/678569969.db2.gz VSRKZWUSPKHLQK-TXEJJXNPSA-N 1 1 321.381 -1.065 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)C1=O ZINC001049019675 678569997 /nfs/dbraw/zinc/56/99/97/678569997.db2.gz UYCCHLSFROCZNH-KXNHARMFSA-N 1 1 321.381 -1.711 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049018216 678570050 /nfs/dbraw/zinc/57/00/50/678570050.db2.gz BPJHEWZLOKYANH-NGZCFLSTSA-N 1 1 306.326 -1.359 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049018216 678570054 /nfs/dbraw/zinc/57/00/54/678570054.db2.gz BPJHEWZLOKYANH-NGZCFLSTSA-N 1 1 306.326 -1.359 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049015719 678570155 /nfs/dbraw/zinc/57/01/55/678570155.db2.gz VQZITIUSSVEQDZ-BBBLOLIVSA-N 1 1 305.338 -1.353 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049014775 678570258 /nfs/dbraw/zinc/57/02/58/678570258.db2.gz OIXJZBFSOFQASB-PHIMTYICSA-N 1 1 319.365 -1.138 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)nn1 ZINC001049018525 678570595 /nfs/dbraw/zinc/57/05/95/678570595.db2.gz FLGSCJFLTJTKEK-JFGNBEQYSA-N 1 1 319.369 -1.613 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)nn1 ZINC001049018525 678570597 /nfs/dbraw/zinc/57/05/97/678570597.db2.gz FLGSCJFLTJTKEK-JFGNBEQYSA-N 1 1 319.369 -1.613 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)C1=O ZINC001049019685 678570642 /nfs/dbraw/zinc/57/06/42/678570642.db2.gz UYCCHLSFROCZNH-WRWGMCAJSA-N 1 1 321.381 -1.711 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019691 678570717 /nfs/dbraw/zinc/57/07/17/678570717.db2.gz VEUIHJIJHVPTDW-OUAUKWLOSA-N 1 1 309.370 -1.854 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001049019289 678570730 /nfs/dbraw/zinc/57/07/30/678570730.db2.gz QNJZHYJSAORVHZ-GRYCIOLGSA-N 1 1 321.381 -1.710 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022393 678571057 /nfs/dbraw/zinc/57/10/57/678571057.db2.gz LUEYNTDARFYLTG-AXFHLTTASA-N 1 1 308.382 -1.094 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)cn1 ZINC001049020104 678571087 /nfs/dbraw/zinc/57/10/87/678571087.db2.gz XWRQKUWMVSHERT-XQQFMLRXSA-N 1 1 318.381 -1.008 20 0 DAADMO CCn1c(C)nnc1C[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021481 678571283 /nfs/dbraw/zinc/57/12/83/678571283.db2.gz WGIMHZHTLQSPGM-PHIMTYICSA-N 1 1 306.370 -1.018 20 0 DAADMO CCn1c(C)nnc1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021481 678571285 /nfs/dbraw/zinc/57/12/85/678571285.db2.gz WGIMHZHTLQSPGM-PHIMTYICSA-N 1 1 306.370 -1.018 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020065 678571614 /nfs/dbraw/zinc/57/16/14/678571614.db2.gz XAOYJPPICQTZGR-MMWGEVLESA-N 1 1 309.370 -1.808 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049020087 678571650 /nfs/dbraw/zinc/57/16/50/678571650.db2.gz XHVRWLIUOFTILC-USZNOCQGSA-N 1 1 321.381 -1.663 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020066 678571659 /nfs/dbraw/zinc/57/16/59/678571659.db2.gz XAOYJPPICQTZGR-UKKRHICBSA-N 1 1 309.370 -1.808 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049022570 678571707 /nfs/dbraw/zinc/57/17/07/678571707.db2.gz NPDZLGGSISQSSV-TXEJJXNPSA-N 1 1 306.370 -1.230 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001049024011 678572086 /nfs/dbraw/zinc/57/20/86/678572086.db2.gz GTOFJVVZBDIBHG-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1c(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cccc1=O ZINC001049049531 678572391 /nfs/dbraw/zinc/57/23/91/678572391.db2.gz DWTNUVJZAQMZQX-PHIMTYICSA-N 1 1 304.350 -1.126 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)C1=O ZINC001049023504 678572563 /nfs/dbraw/zinc/57/25/63/678572563.db2.gz XRVDXOWGTPNWBR-GRYCIOLGSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049056019 678572687 /nfs/dbraw/zinc/57/26/87/678572687.db2.gz KHQDDBNMYKXICB-OZWUEAAUSA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)nn1 ZINC001049061569 678572782 /nfs/dbraw/zinc/57/27/82/678572782.db2.gz VZPSUFOBDWBHHM-DNIRFERGSA-N 1 1 318.381 -1.173 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)nn1 ZINC001049061569 678572786 /nfs/dbraw/zinc/57/27/86/678572786.db2.gz VZPSUFOBDWBHHM-DNIRFERGSA-N 1 1 318.381 -1.173 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049054362 678572826 /nfs/dbraw/zinc/57/28/26/678572826.db2.gz NVFIRGQVXNMHEF-HHHUOAJASA-N 1 1 324.381 -1.717 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CCNC1=O ZINC001049056754 678572856 /nfs/dbraw/zinc/57/28/56/678572856.db2.gz YBIDHLSYMIPZML-MEQWQQMJSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC001049060439 678573151 /nfs/dbraw/zinc/57/31/51/678573151.db2.gz DMVUOPOAQRWYRF-XQHKEYJVSA-N 1 1 322.409 -1.153 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049062533 678573424 /nfs/dbraw/zinc/57/34/24/678573424.db2.gz IPXDZEAKNOBGEB-XQHKEYJVSA-N 1 1 320.393 -1.270 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)C1=O ZINC001049063406 678573600 /nfs/dbraw/zinc/57/36/00/678573600.db2.gz SNNORKQIMLKUFM-RXGFPQBGSA-N 1 1 320.393 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC001049063381 678573814 /nfs/dbraw/zinc/57/38/14/678573814.db2.gz RCUHWPZDZUMKGQ-DTORHVGOSA-N 1 1 305.338 -1.397 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)S1(=O)=O ZINC001049109912 678574036 /nfs/dbraw/zinc/57/40/36/678574036.db2.gz XKPLOEUMKFJDLG-GRYCIOLGSA-N 1 1 317.411 -1.597 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118025 678574153 /nfs/dbraw/zinc/57/41/53/678574153.db2.gz NEODFMJSOIBBLG-DTORHVGOSA-N 1 1 309.326 -2.586 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001049115016 678574232 /nfs/dbraw/zinc/57/42/32/678574232.db2.gz BSNKKHBYMCUISF-UMNHJUIQSA-N 1 1 304.354 -1.293 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049117372 678574348 /nfs/dbraw/zinc/57/43/48/678574348.db2.gz ABKOWQMMBGMVDW-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049112281 678574428 /nfs/dbraw/zinc/57/44/28/678574428.db2.gz IWINAGDNPJZPTF-WYUUTHIRSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118256 678574436 /nfs/dbraw/zinc/57/44/36/678574436.db2.gz SBHAQEGYZSRQAI-BBBLOLIVSA-N 1 1 323.353 -2.198 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118257 678574587 /nfs/dbraw/zinc/57/45/87/678574587.db2.gz SBHAQEGYZSRQAI-LPEHRKFASA-N 1 1 323.353 -2.198 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049117973 678574603 /nfs/dbraw/zinc/57/46/03/678574603.db2.gz LNSHXFYXMAWDKL-PHIMTYICSA-N 1 1 310.354 -1.689 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2C1 ZINC001049116437 678574614 /nfs/dbraw/zinc/57/46/14/678574614.db2.gz PLWWRSLTJNJRHJ-MELADBBJSA-N 1 1 324.425 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2C1 ZINC001049123750 678574936 /nfs/dbraw/zinc/57/49/36/678574936.db2.gz KYZSMZADNNLXMU-AOOOYVTPSA-N 1 1 315.337 -1.387 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154425 678575395 /nfs/dbraw/zinc/57/53/95/678575395.db2.gz BLSQCKOKGWREBX-TXEJJXNPSA-N 1 1 324.381 -1.035 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049124440 678575451 /nfs/dbraw/zinc/57/54/51/678575451.db2.gz ZBXRPQNIGZUYFB-PHIMTYICSA-N 1 1 319.369 -1.166 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1)N1CCC1 ZINC001049162872 678575916 /nfs/dbraw/zinc/57/59/16/678575916.db2.gz GSJRUBPSWCKHCH-TXEJJXNPSA-N 1 1 318.381 -1.030 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(N)=O)C[C@H]2C1 ZINC001049164900 678576124 /nfs/dbraw/zinc/57/61/24/678576124.db2.gz CKNJAAWUEGYZHP-GRYCIOLGSA-N 1 1 323.397 -1.205 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001049179633 678576351 /nfs/dbraw/zinc/57/63/51/678576351.db2.gz FCUYOEDHQIJTCS-XQQFMLRXSA-N 1 1 320.393 -1.113 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049193452 678576576 /nfs/dbraw/zinc/57/65/76/678576576.db2.gz AVRXBSWAAHRFOR-UPJWGTAASA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179454 678576935 /nfs/dbraw/zinc/57/69/35/678576935.db2.gz WWAIFZLWFNICMG-TUAOUCFPSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049203694 678577443 /nfs/dbraw/zinc/57/74/43/678577443.db2.gz DZGHAJJTPJNOJT-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)n1 ZINC001049202506 678577581 /nfs/dbraw/zinc/57/75/81/678577581.db2.gz PUEALPBPNXCAIO-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)n1 ZINC001049202506 678577586 /nfs/dbraw/zinc/57/75/86/678577586.db2.gz PUEALPBPNXCAIO-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1=O ZINC001049205625 678577746 /nfs/dbraw/zinc/57/77/46/678577746.db2.gz VTKDGBCSRSTVBT-AOOOYVTPSA-N 1 1 323.353 -2.244 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049204497 678577762 /nfs/dbraw/zinc/57/77/62/678577762.db2.gz OVGFPYRQWTYXMO-UTUOFQBUSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206781 678578106 /nfs/dbraw/zinc/57/81/06/678578106.db2.gz GHLPILUOPSLZEG-UTUOFQBUSA-N 1 1 309.366 -1.094 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049207031 678578249 /nfs/dbraw/zinc/57/82/49/678578249.db2.gz PWKOSXQRLDXYBX-OUAUKWLOSA-N 1 1 310.354 -1.643 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206807 678578293 /nfs/dbraw/zinc/57/82/93/678578293.db2.gz HZQSYZNFIZBLTH-WYUUTHIRSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC001049233044 678578502 /nfs/dbraw/zinc/57/85/02/678578502.db2.gz IWRYOCSJTKPABI-GARJFASQSA-N 1 1 322.369 -1.852 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049223760 678578575 /nfs/dbraw/zinc/57/85/75/678578575.db2.gz WKYOSGGTDXSZNP-XQQFMLRXSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC001049233045 678578590 /nfs/dbraw/zinc/57/85/90/678578590.db2.gz IWRYOCSJTKPABI-MXWKQRLJSA-N 1 1 322.369 -1.852 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222482 678578740 /nfs/dbraw/zinc/57/87/40/678578740.db2.gz JIWQXDGXGLTHPP-XQQFMLRXSA-N 1 1 310.398 -1.417 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC1=O ZINC001049236341 678578772 /nfs/dbraw/zinc/57/87/72/678578772.db2.gz HGLUWUNMUPWDAJ-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049218878 678578807 /nfs/dbraw/zinc/57/88/07/678578807.db2.gz AAAGFLXWACANQU-NNYUYHANSA-N 1 1 317.411 -1.551 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049218881 678578829 /nfs/dbraw/zinc/57/88/29/678578829.db2.gz AAAGFLXWACANQU-YFKTTZPYSA-N 1 1 317.411 -1.551 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N(C)C3)C[C@H]2C1 ZINC001049234763 678578920 /nfs/dbraw/zinc/57/89/20/678578920.db2.gz NRYWGXXLSXSNNO-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC001049216800 678578936 /nfs/dbraw/zinc/57/89/36/678578936.db2.gz IFLHUUFEHKYNOD-INTQDDNPSA-N 1 1 319.365 -1.009 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)nn1 ZINC001049232631 678578965 /nfs/dbraw/zinc/57/89/65/678578965.db2.gz BOEGBZGEXNQTSY-AOOOYVTPSA-N 1 1 310.333 -1.263 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049253831 678579352 /nfs/dbraw/zinc/57/93/52/678579352.db2.gz BOHDKYZYCIVNAH-FIQHERPVSA-N 1 1 309.366 -1.190 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3cn(C)nn3)C[C@H]2C1 ZINC001049252849 678579417 /nfs/dbraw/zinc/57/94/17/678579417.db2.gz OERFXFDCVBSKOV-TXEJJXNPSA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n(C)c1=O ZINC001049243295 678579464 /nfs/dbraw/zinc/57/94/64/678579464.db2.gz ZHDZOJRARIQFDR-AOOOYVTPSA-N 1 1 307.354 -1.787 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)N1CCOCC1 ZINC001049253222 678579549 /nfs/dbraw/zinc/57/95/49/678579549.db2.gz MXLSIEIRCCSAAB-RWMBFGLXSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314541 678579561 /nfs/dbraw/zinc/57/95/61/678579561.db2.gz MNYXRLQNQNRLHO-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314541 678579566 /nfs/dbraw/zinc/57/95/66/678579566.db2.gz MNYXRLQNQNRLHO-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254949 678579643 /nfs/dbraw/zinc/57/96/43/678579643.db2.gz SFSTYGARNIREHQ-YTWAJWBKSA-N 1 1 322.365 -1.697 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049366339 678580492 /nfs/dbraw/zinc/58/04/92/678580492.db2.gz VSGZMUSFBJQSLU-UWVGGRQHSA-N 1 1 300.359 -2.158 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049380637 678580999 /nfs/dbraw/zinc/58/09/99/678580999.db2.gz CCZLARBNAVBSNH-MNOVXSKESA-N 1 1 317.411 -1.028 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049380637 678581000 /nfs/dbraw/zinc/58/10/00/678581000.db2.gz CCZLARBNAVBSNH-MNOVXSKESA-N 1 1 317.411 -1.028 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049390330 678581717 /nfs/dbraw/zinc/58/17/17/678581717.db2.gz ZWJZGFDSZIOPJE-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049468807 678582170 /nfs/dbraw/zinc/58/21/70/678582170.db2.gz JBFYSJSOUDGMSU-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420674 678582216 /nfs/dbraw/zinc/58/22/16/678582216.db2.gz WKROJZLEBTXORV-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420674 678582218 /nfs/dbraw/zinc/58/22/18/678582218.db2.gz WKROJZLEBTXORV-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420675 678582265 /nfs/dbraw/zinc/58/22/65/678582265.db2.gz WKROJZLEBTXORV-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420675 678582268 /nfs/dbraw/zinc/58/22/68/678582268.db2.gz WKROJZLEBTXORV-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001049429456 678582271 /nfs/dbraw/zinc/58/22/71/678582271.db2.gz WZSIENOCRXKWNW-STQMWFEESA-N 1 1 323.397 -1.066 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049427495 678582398 /nfs/dbraw/zinc/58/23/98/678582398.db2.gz GWNOIYLSGUMMQO-JHJVBQTASA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049427495 678582401 /nfs/dbraw/zinc/58/24/01/678582401.db2.gz GWNOIYLSGUMMQO-JHJVBQTASA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429704 678582422 /nfs/dbraw/zinc/58/24/22/678582422.db2.gz WHOSHQFJMLPSIN-VHSXEESVSA-N 1 1 308.342 -1.466 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429704 678582426 /nfs/dbraw/zinc/58/24/26/678582426.db2.gz WHOSHQFJMLPSIN-VHSXEESVSA-N 1 1 308.342 -1.466 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)cc1=O ZINC001049527806 678582908 /nfs/dbraw/zinc/58/29/08/678582908.db2.gz AZVFLTHPWCXUQK-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)cc1=O ZINC001049527806 678582910 /nfs/dbraw/zinc/58/29/10/678582910.db2.gz AZVFLTHPWCXUQK-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469074 678582970 /nfs/dbraw/zinc/58/29/70/678582970.db2.gz KJPZUPNEIZKVAH-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469074 678582972 /nfs/dbraw/zinc/58/29/72/678582972.db2.gz KJPZUPNEIZKVAH-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001049543069 678583160 /nfs/dbraw/zinc/58/31/60/678583160.db2.gz RWKPFFGCAYLZKK-RYUDHWBXSA-N 1 1 324.385 -1.210 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)cc1=O ZINC001049527805 678583257 /nfs/dbraw/zinc/58/32/57/678583257.db2.gz AZVFLTHPWCXUQK-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)cc1=O ZINC001049527805 678583261 /nfs/dbraw/zinc/58/32/61/678583261.db2.gz AZVFLTHPWCXUQK-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)c1=O ZINC001049562923 678583503 /nfs/dbraw/zinc/58/35/03/678583503.db2.gz YXBRSJVZZBRDMG-NWDGAFQWSA-N 1 1 309.370 -1.361 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)c1=O ZINC001049562924 678583679 /nfs/dbraw/zinc/58/36/79/678583679.db2.gz YXBRSJVZZBRDMG-RYUDHWBXSA-N 1 1 309.370 -1.361 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651867 678584451 /nfs/dbraw/zinc/58/44/51/678584451.db2.gz NLJRTOWNBKYWNN-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651867 678584452 /nfs/dbraw/zinc/58/44/52/678584452.db2.gz NLJRTOWNBKYWNN-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756210 678584949 /nfs/dbraw/zinc/58/49/49/678584949.db2.gz UMHSACFTWKNCHY-IVZWLZJFSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756210 678584952 /nfs/dbraw/zinc/58/49/52/678584952.db2.gz UMHSACFTWKNCHY-IVZWLZJFSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674454 678585139 /nfs/dbraw/zinc/58/51/39/678585139.db2.gz DCNYEDUEAHCGBQ-MNOVXSKESA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674454 678585142 /nfs/dbraw/zinc/58/51/42/678585142.db2.gz DCNYEDUEAHCGBQ-MNOVXSKESA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721849 678585149 /nfs/dbraw/zinc/58/51/49/678585149.db2.gz GGOUQIFACUVCFU-WISYIIOYSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721849 678585151 /nfs/dbraw/zinc/58/51/51/678585151.db2.gz GGOUQIFACUVCFU-WISYIIOYSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049691742 678585185 /nfs/dbraw/zinc/58/51/85/678585185.db2.gz OEEYMWKSMGMMPL-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049691742 678585189 /nfs/dbraw/zinc/58/51/89/678585189.db2.gz OEEYMWKSMGMMPL-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049691744 678585309 /nfs/dbraw/zinc/58/53/09/678585309.db2.gz OEEYMWKSMGMMPL-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049691744 678585312 /nfs/dbraw/zinc/58/53/12/678585312.db2.gz OEEYMWKSMGMMPL-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049687841 678585337 /nfs/dbraw/zinc/58/53/37/678585337.db2.gz NJODTTBZNXZYIX-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049791257 678585764 /nfs/dbraw/zinc/58/57/64/678585764.db2.gz RDFZJQLADWEOSZ-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805687 678586025 /nfs/dbraw/zinc/58/60/25/678586025.db2.gz LEJRUQPROOUQCW-QWRGUYRKSA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805687 678586027 /nfs/dbraw/zinc/58/60/27/678586027.db2.gz LEJRUQPROOUQCW-QWRGUYRKSA-N 1 1 307.358 -1.386 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049880620 678586379 /nfs/dbraw/zinc/58/63/79/678586379.db2.gz BVKZVMNNXWWUET-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)c(=O)n1C ZINC001049869228 678586398 /nfs/dbraw/zinc/58/63/98/678586398.db2.gz DZFTZIJOLXCVPP-STQMWFEESA-N 1 1 323.397 -1.052 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)nn1 ZINC001049909726 678586476 /nfs/dbraw/zinc/58/64/76/678586476.db2.gz BZICWEUPARKCSS-RYUDHWBXSA-N 1 1 322.369 -1.565 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)nn1 ZINC001049909725 678586716 /nfs/dbraw/zinc/58/67/16/678586716.db2.gz BZICWEUPARKCSS-NWDGAFQWSA-N 1 1 322.369 -1.565 20 0 DAADMO CC(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCNC(=O)C1)CC2 ZINC001050394736 678587925 /nfs/dbraw/zinc/58/79/25/678587925.db2.gz ZPOSLPIIFOKQAX-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671616 678588264 /nfs/dbraw/zinc/58/82/64/678588264.db2.gz OVPRGLOEYTWHFN-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1)[C@@H]1CNC(=O)N1 ZINC001052671954 678588938 /nfs/dbraw/zinc/58/89/38/678588938.db2.gz QYRSTJHJACIHPM-NEPJUHHUSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC001052672713 678589136 /nfs/dbraw/zinc/58/91/36/678589136.db2.gz URLADTCWBWRGGX-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001052751393 678589267 /nfs/dbraw/zinc/58/92/67/678589267.db2.gz CNGONGIGRFENND-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC001052785008 678590005 /nfs/dbraw/zinc/59/00/05/678590005.db2.gz BALSXSTUISJNKD-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)CC1)C1CC2(C1)NC(=O)NC2=O ZINC001052784863 678590103 /nfs/dbraw/zinc/59/01/03/678590103.db2.gz ZDTHFOPHVRPFRW-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001052864251 678590298 /nfs/dbraw/zinc/59/02/98/678590298.db2.gz DKKGOSLKJFMUJI-SNVBAGLBSA-N 1 1 320.353 -1.006 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)c(=O)n1C ZINC001052905036 678590330 /nfs/dbraw/zinc/59/03/30/678590330.db2.gz CVCMRKCTDHVGMP-GFCCVEGCSA-N 1 1 311.386 -1.147 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c(=O)n1C ZINC001052905563 678590368 /nfs/dbraw/zinc/59/03/68/678590368.db2.gz LRXAMTPEYGCPQT-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052844964 678590469 /nfs/dbraw/zinc/59/04/69/678590469.db2.gz SOBVLOSUSKAMIM-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052919011 678591019 /nfs/dbraw/zinc/59/10/19/678591019.db2.gz HYLLDGCQSSIRSX-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919612 678591109 /nfs/dbraw/zinc/59/11/09/678591109.db2.gz NAURWPZDJHJQLV-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052918783 678591320 /nfs/dbraw/zinc/59/13/20/678591320.db2.gz DFEIFZYGMYBCII-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052977157 678591715 /nfs/dbraw/zinc/59/17/15/678591715.db2.gz BEXYDKQGORLJRX-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052958733 678591847 /nfs/dbraw/zinc/59/18/47/678591847.db2.gz OKBXQMKDOWSWEK-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052945202 678591922 /nfs/dbraw/zinc/59/19/22/678591922.db2.gz FMHMMYRHVNEXPS-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052977154 678591984 /nfs/dbraw/zinc/59/19/84/678591984.db2.gz BEXYDKQGORLJRX-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001052930741 678592036 /nfs/dbraw/zinc/59/20/36/678592036.db2.gz ZRBUIURXETWRIL-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052977788 678592705 /nfs/dbraw/zinc/59/27/05/678592705.db2.gz MZNQWMQWIMCAHD-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO O=C(Cn1cnnn1)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053150191 678593673 /nfs/dbraw/zinc/59/36/73/678593673.db2.gz SQPKDYOMGJWDBD-LBPRGKRZSA-N 1 1 322.369 -1.377 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN([C@@H]3CCNC3=O)C2)C1 ZINC001053190394 678594517 /nfs/dbraw/zinc/59/45/17/678594517.db2.gz SYGMKWIMGBOZON-CHWSQXEVSA-N 1 1 322.409 -1.118 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053188314 678594673 /nfs/dbraw/zinc/59/46/73/678594673.db2.gz AQBCKIHJYTZJFH-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053189961 678594744 /nfs/dbraw/zinc/59/47/44/678594744.db2.gz HHSBTJKPURXSIW-VXGBXAGGSA-N 1 1 310.398 -1.132 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001053312438 678599771 /nfs/dbraw/zinc/59/97/71/678599771.db2.gz MYBHNBPHKGTEES-ONGXEEELSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053342809 678601698 /nfs/dbraw/zinc/60/16/98/678601698.db2.gz OZTFTTGMWLNHPI-UHFFFAOYSA-N 1 1 307.354 -1.410 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053429821 678604479 /nfs/dbraw/zinc/60/44/79/678604479.db2.gz YRYDYZGDMJMIRF-RYUDHWBXSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429555 678604559 /nfs/dbraw/zinc/60/45/59/678604559.db2.gz SJSYIEFPSKOEBJ-STQMWFEESA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)[C@@H](C)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530588 678607843 /nfs/dbraw/zinc/60/78/43/678607843.db2.gz BTIWKBAJECMVRK-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531672 678607945 /nfs/dbraw/zinc/60/79/45/678607945.db2.gz UCJJUNMHWAQQAX-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530840 678608052 /nfs/dbraw/zinc/60/80/52/678608052.db2.gz HWOWXYSXQXNWBF-NEPJUHHUSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530631 678608069 /nfs/dbraw/zinc/60/80/69/678608069.db2.gz DBSMLOAJKSBPNH-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1COC(=O)N1 ZINC001053595641 678609067 /nfs/dbraw/zinc/60/90/67/678609067.db2.gz BJHPSUZMCOIVDY-QWRGUYRKSA-N 1 1 313.354 -1.173 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CCNC1=O ZINC001053643047 678610212 /nfs/dbraw/zinc/61/02/12/678610212.db2.gz SSPAEHKKVCDIFX-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC(N)=O)C3)O2)C1 ZINC001053698785 678611433 /nfs/dbraw/zinc/61/14/33/678611433.db2.gz VPUUFOMFJIPPTO-NEPJUHHUSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CCC(=O)N1 ZINC001053692073 678611580 /nfs/dbraw/zinc/61/15/80/678611580.db2.gz JEXOUABQKPXABS-RYUDHWBXSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1COC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053803332 678615722 /nfs/dbraw/zinc/61/57/22/678615722.db2.gz PXOYYCIBRYNYPK-NEPJUHHUSA-N 1 1 322.369 -1.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1COC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053803334 678615756 /nfs/dbraw/zinc/61/57/56/678615756.db2.gz PXOYYCIBRYNYPK-RYUDHWBXSA-N 1 1 322.369 -1.331 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)CO2 ZINC001053805316 678615780 /nfs/dbraw/zinc/61/57/80/678615780.db2.gz ORGQZCDQTPKAOI-SNVBAGLBSA-N 1 1 322.369 -1.255 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053833118 678617033 /nfs/dbraw/zinc/61/70/33/678617033.db2.gz TVTVUEUZDODJBH-ZJUUUORDSA-N 1 1 310.354 -1.046 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2COC3(C[NH+](CC4CC4)C3)C2)c1=O ZINC001053852203 678618241 /nfs/dbraw/zinc/61/82/41/678618241.db2.gz IICXDOMTOYRNFV-LBPRGKRZSA-N 1 1 321.381 -1.049 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940569 678623869 /nfs/dbraw/zinc/62/38/69/678623869.db2.gz HEQLEPYNFFGDFJ-UWVGGRQHSA-N 1 1 310.354 -1.048 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940993 678624152 /nfs/dbraw/zinc/62/41/52/678624152.db2.gz QGADLMATSWHNGM-ZJUUUORDSA-N 1 1 310.354 -1.046 20 0 DAADMO NC(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)CO2 ZINC001053994310 678626813 /nfs/dbraw/zinc/62/68/13/678626813.db2.gz CZSIBOAFWYQUOR-DOMZBBRYSA-N 1 1 322.409 -1.083 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001054007330 678627335 /nfs/dbraw/zinc/62/73/35/678627335.db2.gz CJTLEJNXSPJWRN-LLVKDONJSA-N 1 1 307.354 -1.364 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054002887 678627566 /nfs/dbraw/zinc/62/75/66/678627566.db2.gz KHEGJMKLPRTOMZ-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC(N)=O)nn1)CO2 ZINC001054016705 678628037 /nfs/dbraw/zinc/62/80/37/678628037.db2.gz IQMAWPYLEBPLIP-JTQLQIEISA-N 1 1 322.369 -1.255 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054132542 678629037 /nfs/dbraw/zinc/62/90/37/678629037.db2.gz KCZACSKDSQVEDM-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O ZINC001054188609 678629072 /nfs/dbraw/zinc/62/90/72/678629072.db2.gz PGQNLLPGPHTSKN-AWEZNQCLSA-N 1 1 322.369 -1.592 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O ZINC001054188609 678629074 /nfs/dbraw/zinc/62/90/74/678629074.db2.gz PGQNLLPGPHTSKN-AWEZNQCLSA-N 1 1 322.369 -1.592 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001054156252 678629164 /nfs/dbraw/zinc/62/91/64/678629164.db2.gz LCZHCIGJLJMOLL-HNNXBMFYSA-N 1 1 323.397 -1.111 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1nnn(C)n1)C2 ZINC001054176645 678629194 /nfs/dbraw/zinc/62/91/94/678629194.db2.gz JEXAODUUJDLZJF-AWEZNQCLSA-N 1 1 321.385 -1.116 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COC(=O)N1)C2 ZINC001054123554 678629222 /nfs/dbraw/zinc/62/92/22/678629222.db2.gz XWPFPLIYWAWNJK-YGRLFVJLSA-N 1 1 310.354 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082726 678629287 /nfs/dbraw/zinc/62/92/87/678629287.db2.gz QFNSDFYBTUPWIO-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054132541 678629356 /nfs/dbraw/zinc/62/93/56/678629356.db2.gz KCZACSKDSQVEDM-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054132543 678629531 /nfs/dbraw/zinc/62/95/31/678629531.db2.gz KCZACSKDSQVEDM-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001054176036 678629546 /nfs/dbraw/zinc/62/95/46/678629546.db2.gz ALZAVUUDUODUSB-NHYWBVRUSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054358474 678629947 /nfs/dbraw/zinc/62/99/47/678629947.db2.gz FMGDMDHHYKYWCY-PSASIEDQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054365917 678630014 /nfs/dbraw/zinc/63/00/14/678630014.db2.gz JDIGCRLWSOLOGF-KOLCDFICSA-N 1 1 305.346 -1.562 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cnnn1)C2 ZINC001054219532 678630070 /nfs/dbraw/zinc/63/00/70/678630070.db2.gz PTEYLVVDORNANV-AWEZNQCLSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001054199286 678630137 /nfs/dbraw/zinc/63/01/37/678630137.db2.gz RYMQFDPGIINHNM-JRPNMDOOSA-N 1 1 308.382 -1.092 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054206279 678630286 /nfs/dbraw/zinc/63/02/86/678630286.db2.gz GXWIPBYFJKLIHR-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054367225 678630689 /nfs/dbraw/zinc/63/06/89/678630689.db2.gz PDJUAISCSDYVCE-RKDXNWHRSA-N 1 1 306.334 -2.167 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054366972 678630704 /nfs/dbraw/zinc/63/07/04/678630704.db2.gz NKRLPHSIPJPVLP-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)[nH]1 ZINC001054369894 678630790 /nfs/dbraw/zinc/63/07/90/678630790.db2.gz MWGNOIHJHIUHDF-WCBMZHEXSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054394802 678630907 /nfs/dbraw/zinc/63/09/07/678630907.db2.gz RCAOBZJYOYLLHG-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054372980 678630943 /nfs/dbraw/zinc/63/09/43/678630943.db2.gz BJKREKPJLLGPBH-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054463775 678631314 /nfs/dbraw/zinc/63/13/14/678631314.db2.gz ZSIBQDBKSJRBJM-ONGXEEELSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054496746 678631446 /nfs/dbraw/zinc/63/14/46/678631446.db2.gz MAWUTESYNBFVGO-WCBMZHEXSA-N 1 1 307.358 -1.180 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054584730 678632214 /nfs/dbraw/zinc/63/22/14/678632214.db2.gz XWGLWIDMADECKW-KOLCDFICSA-N 1 1 320.357 -1.251 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054506050 678632286 /nfs/dbraw/zinc/63/22/86/678632286.db2.gz JGBGVOMJFLRLKH-UWVGGRQHSA-N 1 1 309.374 -1.105 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054588928 678632528 /nfs/dbraw/zinc/63/25/28/678632528.db2.gz UUPCRSPQMSVPQZ-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054600427 678632562 /nfs/dbraw/zinc/63/25/62/678632562.db2.gz VBNREOPHJWMFPF-PSASIEDQSA-N 1 1 319.373 -1.224 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054600430 678632600 /nfs/dbraw/zinc/63/26/00/678632600.db2.gz VBNREOPHJWMFPF-WPRPVWTQSA-N 1 1 319.373 -1.224 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001054649433 678633243 /nfs/dbraw/zinc/63/32/43/678633243.db2.gz NEBCEGXQQNYWFN-QWRGUYRKSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054646773 678633384 /nfs/dbraw/zinc/63/33/84/678633384.db2.gz DDPKWXCKHMDSQH-ONGXEEELSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)nn1 ZINC001054651289 678634313 /nfs/dbraw/zinc/63/43/13/678634313.db2.gz WNVZNXDRRTYUCT-JQWIXIFHSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054753827 678634506 /nfs/dbraw/zinc/63/45/06/678634506.db2.gz BAPLPOHIZUSPGC-DTWKUNHWSA-N 1 1 309.374 -1.342 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054767897 678634744 /nfs/dbraw/zinc/63/47/44/678634744.db2.gz RZIZLGYXVLHSLV-PSASIEDQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001054969435 678636073 /nfs/dbraw/zinc/63/60/73/678636073.db2.gz QWZMDOQEMLESRT-CMPLNLGQSA-N 1 1 322.369 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054969436 678636389 /nfs/dbraw/zinc/63/63/89/678636389.db2.gz QWZMDOQEMLESRT-JQWIXIFHSA-N 1 1 322.369 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054981969 678636724 /nfs/dbraw/zinc/63/67/24/678636724.db2.gz QSRMFNKMZRHBTO-SCZZXKLOSA-N 1 1 305.346 -1.411 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C)[nH]1 ZINC001054982623 678636936 /nfs/dbraw/zinc/63/69/36/678636936.db2.gz ZSBMNJVLNPXYHF-CBAPKCEASA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054980398 678637043 /nfs/dbraw/zinc/63/70/43/678637043.db2.gz CXESQOGJWTYIAV-WPRPVWTQSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001055019663 678637705 /nfs/dbraw/zinc/63/77/05/678637705.db2.gz CCGYBQAFIBPIGR-DTWKUNHWSA-N 1 1 309.374 -1.150 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001055023584 678637859 /nfs/dbraw/zinc/63/78/59/678637859.db2.gz QZVRLQBXJPELTK-JGVFFNPUSA-N 1 1 316.312 -1.035 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001055303011 678640051 /nfs/dbraw/zinc/64/00/51/678640051.db2.gz BBLIMHZGNFZCMU-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531514 678641165 /nfs/dbraw/zinc/64/11/65/678641165.db2.gz IKQYBWIAFRSQMF-UHFFFAOYSA-N 1 1 323.353 -1.140 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH+]1CCC(NC(C)=O)CC1 ZINC001055578675 678641915 /nfs/dbraw/zinc/64/19/15/678641915.db2.gz TZFQDJRZOBFIAK-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO Cc1nonc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055596100 678642191 /nfs/dbraw/zinc/64/21/91/678642191.db2.gz ROCQEBBMPSBUPZ-UHFFFAOYSA-N 1 1 324.341 -1.826 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)cn1 ZINC001055626742 678642682 /nfs/dbraw/zinc/64/26/82/678642682.db2.gz FDLNJXWAEHDSDK-UHFFFAOYSA-N 1 1 322.369 -1.784 20 0 DAADMO CC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627414 678642827 /nfs/dbraw/zinc/64/28/27/678642827.db2.gz PXZPNSQPGNVDJE-UHFFFAOYSA-N 1 1 313.358 -2.695 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC001055627431 678642863 /nfs/dbraw/zinc/64/28/63/678642863.db2.gz QMRUSDKYVYZKBA-UHFFFAOYSA-N 1 1 307.354 -1.190 20 0 DAADMO CC(C)OCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627540 678642907 /nfs/dbraw/zinc/64/29/07/678642907.db2.gz QTFKDNYZPPAZSO-UHFFFAOYSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nnc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)n1 ZINC001055617252 678642973 /nfs/dbraw/zinc/64/29/73/678642973.db2.gz FPEKMOLSTUACAT-UHFFFAOYSA-N 1 1 324.345 -2.994 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC001055627001 678642989 /nfs/dbraw/zinc/64/29/89/678642989.db2.gz KBLDISCKUSLKAV-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO CS[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627425 678643037 /nfs/dbraw/zinc/64/30/37/678643037.db2.gz QHOBXBOJQZDPBR-VIFPVBQESA-N 1 1 316.427 -1.080 20 0 DAADMO COC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626962 678643153 /nfs/dbraw/zinc/64/31/53/678643153.db2.gz JABOFXPAOMRWCP-JTQLQIEISA-N 1 1 314.386 -1.549 20 0 DAADMO C[NH+](C)CCC(=O)NCCN1CCC(NC(=O)C(N)=O)CC1 ZINC001055633438 678643482 /nfs/dbraw/zinc/64/34/82/678643482.db2.gz OFUYRLXSGYLOEL-UHFFFAOYSA-N 1 1 313.402 -1.880 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)C2=CCOCC2)CC1 ZINC001055629323 678643506 /nfs/dbraw/zinc/64/35/06/678643506.db2.gz VUXBHCNYVZQPAF-UHFFFAOYSA-N 1 1 324.381 -1.485 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001055629369 678643619 /nfs/dbraw/zinc/64/36/19/678643619.db2.gz XVKQUDOEXSVGKU-UHFFFAOYSA-N 1 1 323.357 -2.540 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001055628891 678643735 /nfs/dbraw/zinc/64/37/35/678643735.db2.gz KLHZSIABPCJMGI-UHFFFAOYSA-N 1 1 308.342 -1.795 20 0 DAADMO Cc1c[nH]nc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629357 678643761 /nfs/dbraw/zinc/64/37/61/678643761.db2.gz XCIMYVUEWXKIIC-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO CC[C@@H](F)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629638 678643786 /nfs/dbraw/zinc/64/37/86/678643786.db2.gz FZCNOHSTNKWPND-SNVBAGLBSA-N 1 1 302.350 -1.083 20 0 DAADMO Cc1conc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055643119 678643803 /nfs/dbraw/zinc/64/38/03/678643803.db2.gz VZPWHWOSKSVGAE-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055981238 678653580 /nfs/dbraw/zinc/65/35/80/678653580.db2.gz XQNBMIMMINGPPD-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001056047556 678655539 /nfs/dbraw/zinc/65/55/39/678655539.db2.gz OQEUEUFTVGNZQZ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001056047556 678655543 /nfs/dbraw/zinc/65/55/43/678655543.db2.gz OQEUEUFTVGNZQZ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)C1 ZINC001056089728 678657888 /nfs/dbraw/zinc/65/78/88/678657888.db2.gz SATWJSKEPDRCAP-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCN(CCO)C(=O)C(F)F ZINC001056745564 678666118 /nfs/dbraw/zinc/66/61/18/678666118.db2.gz NADDUCUIDYZQGY-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001056791266 678669233 /nfs/dbraw/zinc/66/92/33/678669233.db2.gz TVYKLQZEUCIKGK-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000112934 678670536 /nfs/dbraw/zinc/67/05/36/678670536.db2.gz YTQWPGDLGHHPMY-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000104325 678670553 /nfs/dbraw/zinc/67/05/53/678670553.db2.gz XNVVVUNEVRYJJE-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000104325 678670557 /nfs/dbraw/zinc/67/05/57/678670557.db2.gz XNVVVUNEVRYJJE-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000865024 678682670 /nfs/dbraw/zinc/68/26/70/678682670.db2.gz YFIDWVQOSFEORC-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057112608 678692280 /nfs/dbraw/zinc/69/22/80/678692280.db2.gz PHYPFGXNZRFBCV-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057112608 678692281 /nfs/dbraw/zinc/69/22/81/678692281.db2.gz PHYPFGXNZRFBCV-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001057209293 678699138 /nfs/dbraw/zinc/69/91/38/678699138.db2.gz MLCSTDFUIUEZFH-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001057212844 678699614 /nfs/dbraw/zinc/69/96/14/678699614.db2.gz XLCWQFDAMMQJBU-LBPRGKRZSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212144 678699711 /nfs/dbraw/zinc/69/97/11/678699711.db2.gz JUCOBIUCQYZAPQ-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212170 678699759 /nfs/dbraw/zinc/69/97/59/678699759.db2.gz KASUMRVWMMNEMO-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001057212400 678699914 /nfs/dbraw/zinc/69/99/14/678699914.db2.gz NMPWIBURYGWRIB-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001057212411 678699925 /nfs/dbraw/zinc/69/99/25/678699925.db2.gz NOULXGMBACUNKV-LBPRGKRZSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 ZINC001057212159 678699964 /nfs/dbraw/zinc/69/99/64/678699964.db2.gz JZKCGIRICPYFDX-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001050003082 678700550 /nfs/dbraw/zinc/70/05/50/678700550.db2.gz MABOVCLYORQZJT-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001050005726 678701320 /nfs/dbraw/zinc/70/13/20/678701320.db2.gz BGCWHUFAJHCSJL-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001050005726 678701324 /nfs/dbraw/zinc/70/13/24/678701324.db2.gz BGCWHUFAJHCSJL-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057241595 678701882 /nfs/dbraw/zinc/70/18/82/678701882.db2.gz FRSYPYMZRMJNPU-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057241595 678701884 /nfs/dbraw/zinc/70/18/84/678701884.db2.gz FRSYPYMZRMJNPU-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050049428 678704079 /nfs/dbraw/zinc/70/40/79/678704079.db2.gz YSPCZYVEBDHSAA-QJPTWQEYSA-N 1 1 321.385 -1.140 20 0 DAADMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)CC(N)=O)C1CCC1 ZINC001057247633 678704473 /nfs/dbraw/zinc/70/44/73/678704473.db2.gz DSSOMJBEOCVHCG-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)CC[N@H+]1C ZINC001057247819 678704998 /nfs/dbraw/zinc/70/49/98/678704998.db2.gz LJIUBCHPPGXNHU-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057249432 678705013 /nfs/dbraw/zinc/70/50/13/678705013.db2.gz XIRHZBPCBYZBAJ-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001050081662 678705483 /nfs/dbraw/zinc/70/54/83/678705483.db2.gz MMSBYIMHOPOSKW-RWMBFGLXSA-N 1 1 323.397 -1.115 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050066073 678705506 /nfs/dbraw/zinc/70/55/06/678705506.db2.gz CTHKDBKQYCMNCP-SDDRHHMPSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050063380 678705511 /nfs/dbraw/zinc/70/55/11/678705511.db2.gz JIEOIOBZEUEEHP-QWHCGFSZSA-N 1 1 311.382 -1.240 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057263033 678706198 /nfs/dbraw/zinc/70/61/98/678706198.db2.gz CNJYCYRLLJZTQR-VIFPVBQESA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057263033 678706202 /nfs/dbraw/zinc/70/62/02/678706202.db2.gz CNJYCYRLLJZTQR-VIFPVBQESA-N 1 1 309.313 -1.481 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263104 678706409 /nfs/dbraw/zinc/70/64/09/678706409.db2.gz DXEHFVCSZHJSLI-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263104 678706412 /nfs/dbraw/zinc/70/64/12/678706412.db2.gz DXEHFVCSZHJSLI-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057259712 678706470 /nfs/dbraw/zinc/70/64/70/678706470.db2.gz NWAWYPQPCYFDHT-UHFFFAOYSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116010 678706731 /nfs/dbraw/zinc/70/67/31/678706731.db2.gz LERBWFPCJABUCM-LPEHRKFASA-N 1 1 307.358 -1.380 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116010 678706736 /nfs/dbraw/zinc/70/67/36/678706736.db2.gz LERBWFPCJABUCM-LPEHRKFASA-N 1 1 307.358 -1.380 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001050129489 678706866 /nfs/dbraw/zinc/70/68/66/678706866.db2.gz OHZAUMFCZJKNME-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2cc[nH]c2)C1 ZINC001057265017 678706968 /nfs/dbraw/zinc/70/69/68/678706968.db2.gz MFXSQBBNVIVLHH-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2cc[nH]c2)C1 ZINC001057265017 678706971 /nfs/dbraw/zinc/70/69/71/678706971.db2.gz MFXSQBBNVIVLHH-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050128340 678707237 /nfs/dbraw/zinc/70/72/37/678707237.db2.gz IDIUTWQUZTZZJD-GARJFASQSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050128340 678707239 /nfs/dbraw/zinc/70/72/39/678707239.db2.gz IDIUTWQUZTZZJD-GARJFASQSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050128341 678707274 /nfs/dbraw/zinc/70/72/74/678707274.db2.gz IDIUTWQUZTZZJD-HBNTYKKESA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050128341 678707276 /nfs/dbraw/zinc/70/72/76/678707276.db2.gz IDIUTWQUZTZZJD-HBNTYKKESA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc[nH]2)C1 ZINC001057264046 678707289 /nfs/dbraw/zinc/70/72/89/678707289.db2.gz SNKVDGBQAYUILC-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2ccc[nH]2)C1 ZINC001057264046 678707291 /nfs/dbraw/zinc/70/72/91/678707291.db2.gz SNKVDGBQAYUILC-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001050131728 678707694 /nfs/dbraw/zinc/70/76/94/678707694.db2.gz XSOMJKNUFIYSRD-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001050138944 678707809 /nfs/dbraw/zinc/70/78/09/678707809.db2.gz BPJQVHJAGGUPNS-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001050138944 678707812 /nfs/dbraw/zinc/70/78/12/678707812.db2.gz BPJQVHJAGGUPNS-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050166589 678707941 /nfs/dbraw/zinc/70/79/41/678707941.db2.gz ZMHWGKRZKGBXFN-SDDRHHMPSA-N 1 1 324.381 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050165811 678707954 /nfs/dbraw/zinc/70/79/54/678707954.db2.gz LHVDOVSIZRECJF-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050165811 678707957 /nfs/dbraw/zinc/70/79/57/678707957.db2.gz LHVDOVSIZRECJF-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001050171492 678707985 /nfs/dbraw/zinc/70/79/85/678707985.db2.gz SJSDOKMLEHWMAJ-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050179271 678708372 /nfs/dbraw/zinc/70/83/72/678708372.db2.gz AYDSFIVYGSFGQU-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)n1C ZINC001050194132 678708390 /nfs/dbraw/zinc/70/83/90/678708390.db2.gz WGMGSDDJVFSIIU-QWHCGFSZSA-N 1 1 323.397 -1.195 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050198507 678708415 /nfs/dbraw/zinc/70/84/15/678708415.db2.gz ROPQGZQORGSJLG-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050205518 678708526 /nfs/dbraw/zinc/70/85/26/678708526.db2.gz MESKNZPWKXWVCP-QJPTWQEYSA-N 1 1 317.411 -1.407 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050220354 678709122 /nfs/dbraw/zinc/70/91/22/678709122.db2.gz NGQYJYYJIDXQLR-SDDRHHMPSA-N 1 1 309.366 -1.046 20 0 DAADMO Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057476920 678721877 /nfs/dbraw/zinc/72/18/77/678721877.db2.gz VDCXXAJAMFSVLV-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057491023 678722954 /nfs/dbraw/zinc/72/29/54/678722954.db2.gz RIANZGMVWRHVJU-CHWSQXEVSA-N 1 1 315.414 -1.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccn[nH]2)C1 ZINC001057632209 678733350 /nfs/dbraw/zinc/73/33/50/678733350.db2.gz JSYOWEYQQYVJET-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057632158 678733364 /nfs/dbraw/zinc/73/33/64/678733364.db2.gz IHDCTCIIRJQZDP-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001057632838 678733386 /nfs/dbraw/zinc/73/33/86/678733386.db2.gz ZDQFQUISHQEHCT-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632147 678733401 /nfs/dbraw/zinc/73/34/01/678733401.db2.gz HYLFUHLHBWFKAD-GFCCVEGCSA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001057632753 678733688 /nfs/dbraw/zinc/73/36/88/678733688.db2.gz WSTUOXOGTGMPMT-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001057632754 678733817 /nfs/dbraw/zinc/73/38/17/678733817.db2.gz WSTUOXOGTGMPMT-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001050858094 678734051 /nfs/dbraw/zinc/73/40/51/678734051.db2.gz DRNAQPONXFNKJW-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001050858094 678734053 /nfs/dbraw/zinc/73/40/53/678734053.db2.gz DRNAQPONXFNKJW-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]cn2)C1 ZINC001057635668 678734173 /nfs/dbraw/zinc/73/41/73/678734173.db2.gz GTSLMKORZFCLBN-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2cnc[nH]2)C1 ZINC001057635668 678734179 /nfs/dbraw/zinc/73/41/79/678734179.db2.gz GTSLMKORZFCLBN-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2cnc[nH]2)C1 ZINC001057635668 678734180 /nfs/dbraw/zinc/73/41/80/678734180.db2.gz GTSLMKORZFCLBN-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CN1CCCC1 ZINC001057641005 678734932 /nfs/dbraw/zinc/73/49/32/678734932.db2.gz SNACSICCODCURB-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CCCO)O1 ZINC001050985138 678741212 /nfs/dbraw/zinc/74/12/12/678741212.db2.gz CUFOIQDVVWYAGJ-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CCCO)O1 ZINC001050985138 678741215 /nfs/dbraw/zinc/74/12/15/678741215.db2.gz CUFOIQDVVWYAGJ-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)O1 ZINC001050987997 678741267 /nfs/dbraw/zinc/74/12/67/678741267.db2.gz WQCHAIGIXVFMAQ-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)O1 ZINC001050987997 678741269 /nfs/dbraw/zinc/74/12/69/678741269.db2.gz WQCHAIGIXVFMAQ-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051082328 678745420 /nfs/dbraw/zinc/74/54/20/678745420.db2.gz YQEJUMGFJJYGFY-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051242095 678750812 /nfs/dbraw/zinc/75/08/12/678750812.db2.gz QDDIXKYTLXJELE-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001051250002 678752111 /nfs/dbraw/zinc/75/21/11/678752111.db2.gz IOXWBZKNEDKNHY-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001051250002 678752114 /nfs/dbraw/zinc/75/21/14/678752114.db2.gz IOXWBZKNEDKNHY-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051251593 678752284 /nfs/dbraw/zinc/75/22/84/678752284.db2.gz PZLQHINOPTVDRA-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051251593 678752285 /nfs/dbraw/zinc/75/22/85/678752285.db2.gz PZLQHINOPTVDRA-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)[nH]1 ZINC001051417138 678754653 /nfs/dbraw/zinc/75/46/53/678754653.db2.gz BJRUOXMKBZUGQZ-SNVBAGLBSA-N 1 1 321.345 -1.883 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051422358 678754980 /nfs/dbraw/zinc/75/49/80/678754980.db2.gz XRMDPOMDHPZHQA-LLVKDONJSA-N 1 1 318.341 -1.520 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001051423592 678755638 /nfs/dbraw/zinc/75/56/38/678755638.db2.gz UUYFCFYWLBEPQK-QWRGUYRKSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001051457511 678756071 /nfs/dbraw/zinc/75/60/71/678756071.db2.gz NHRLNDPTILGKMT-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051458300 678756200 /nfs/dbraw/zinc/75/62/00/678756200.db2.gz TXWHDJMXZRFRBN-RYUDHWBXSA-N 1 1 312.326 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001051463630 678756854 /nfs/dbraw/zinc/75/68/54/678756854.db2.gz XBUZRQIFOOQHAU-MRVPVSSYSA-N 1 1 324.370 -1.308 20 0 DAADMO Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)[nH]n1 ZINC001051469711 678757280 /nfs/dbraw/zinc/75/72/80/678757280.db2.gz WEFSZPSYIGZYQF-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO CO[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051474351 678757999 /nfs/dbraw/zinc/75/79/99/678757999.db2.gz XFCUMAADRSQFHC-VHSXEESVSA-N 1 1 313.358 -1.540 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001051476970 678758362 /nfs/dbraw/zinc/75/83/62/678758362.db2.gz XNSCWLFMLGJALQ-GHMZBOCLSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001051476981 678758476 /nfs/dbraw/zinc/75/84/76/678758476.db2.gz XNSCWLFMLGJALQ-WDEREUQCSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489352 678758508 /nfs/dbraw/zinc/75/85/08/678758508.db2.gz CFRBJCZXZFVVOG-GHMZBOCLSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001051489610 678758944 /nfs/dbraw/zinc/75/89/44/678758944.db2.gz IHJAXONBSDHNJG-NSHDSACASA-N 1 1 321.341 -1.242 20 0 DAADMO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC001051493436 678759051 /nfs/dbraw/zinc/75/90/51/678759051.db2.gz KEWKKOOIMMIAJF-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001051493461 678759165 /nfs/dbraw/zinc/75/91/65/678759165.db2.gz LACRZTJKTADWCS-GHMZBOCLSA-N 1 1 324.385 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051490290 678759294 /nfs/dbraw/zinc/75/92/94/678759294.db2.gz VPVZFANLQMKRIV-VHSXEESVSA-N 1 1 323.357 -2.194 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051504549 678759788 /nfs/dbraw/zinc/75/97/88/678759788.db2.gz HSDSVURXSQWEDL-NSHDSACASA-N 1 1 310.358 -1.510 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1)c1nnnn1C ZINC001051505858 678759945 /nfs/dbraw/zinc/75/99/45/678759945.db2.gz UJTBDYQIZNORTC-DTWKUNHWSA-N 1 1 311.346 -2.037 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1)c1nnnn1C ZINC001051505859 678760020 /nfs/dbraw/zinc/76/00/20/678760020.db2.gz UJTBDYQIZNORTC-IUCAKERBSA-N 1 1 311.346 -2.037 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051505557 678760044 /nfs/dbraw/zinc/76/00/44/678760044.db2.gz PXNOWJUTLZXBQZ-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001051506743 678760531 /nfs/dbraw/zinc/76/05/31/678760531.db2.gz CLOKWEIKHLVPMJ-LLVKDONJSA-N 1 1 320.357 -1.507 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1)c1nncn1C ZINC001051506201 678760611 /nfs/dbraw/zinc/76/06/11/678760611.db2.gz ZCQZATDFPSDSGC-VHSXEESVSA-N 1 1 310.358 -1.432 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051529554 678760643 /nfs/dbraw/zinc/76/06/43/678760643.db2.gz CWDPEEHDGUVIDD-WDEREUQCSA-N 1 1 322.369 -1.557 20 0 DAADMO CO[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1)C1CC1 ZINC001051583934 678761464 /nfs/dbraw/zinc/76/14/64/678761464.db2.gz MAQGNHHLVVGFSC-YPMHNXCESA-N 1 1 324.385 -1.048 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051587248 678761888 /nfs/dbraw/zinc/76/18/88/678761888.db2.gz GEBXVEHPAKEFQD-GHMZBOCLSA-N 1 1 321.337 -1.098 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)[nH]1 ZINC001051586948 678761913 /nfs/dbraw/zinc/76/19/13/678761913.db2.gz DRQALCIGZPVUOL-ZJUUUORDSA-N 1 1 324.341 -1.461 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)nn1 ZINC001051588742 678761992 /nfs/dbraw/zinc/76/19/92/678761992.db2.gz XKGUCYGBMBUUIU-WDEREUQCSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588097 678762056 /nfs/dbraw/zinc/76/20/56/678762056.db2.gz NMNKSLYQSNWQCU-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001051585859 678762179 /nfs/dbraw/zinc/76/21/79/678762179.db2.gz ZYCIWAOPDFEHNV-VHSXEESVSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)n1 ZINC001051588308 678762236 /nfs/dbraw/zinc/76/22/36/678762236.db2.gz PISBGBXPLFVEFK-MNOVXSKESA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)n1 ZINC001051595841 678762584 /nfs/dbraw/zinc/76/25/84/678762584.db2.gz CIUQLITZNMXQEB-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051596343 678762650 /nfs/dbraw/zinc/76/26/50/678762650.db2.gz QJXYFTMLWNITFU-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)n1 ZINC001051595589 678762675 /nfs/dbraw/zinc/76/26/75/678762675.db2.gz WSTRLYLLIIATQW-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)n1 ZINC001051595842 678762799 /nfs/dbraw/zinc/76/27/99/678762799.db2.gz CIUQLITZNMXQEB-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ncn(C)n3)CCO2)[nH]1 ZINC001051596684 678762954 /nfs/dbraw/zinc/76/29/54/678762954.db2.gz ZFTQVMAXOPUKLT-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)CCO2)nn1 ZINC001051594005 678763019 /nfs/dbraw/zinc/76/30/19/678763019.db2.gz CLCSPZLCGKDMFF-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001051594645 678763064 /nfs/dbraw/zinc/76/30/64/678763064.db2.gz MMVJVCYMNYFZKG-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051614001 678763546 /nfs/dbraw/zinc/76/35/46/678763546.db2.gz GTWJUHCKCJRZTF-LLVKDONJSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3ncc[nH]3)CCO2)nc1=O ZINC001051602911 678763604 /nfs/dbraw/zinc/76/36/04/678763604.db2.gz NRSJVIJXCHPQIB-VIFPVBQESA-N 1 1 321.341 -1.538 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615594 678764014 /nfs/dbraw/zinc/76/40/14/678764014.db2.gz WVKLBORTZAYVJB-JTQLQIEISA-N 1 1 322.329 -1.618 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051616519 678764042 /nfs/dbraw/zinc/76/40/42/678764042.db2.gz JMQAVMXASMDLGG-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1 ZINC001051615707 678764168 /nfs/dbraw/zinc/76/41/68/678764168.db2.gz ZBTRSEKZNOHLAA-NSHDSACASA-N 1 1 321.345 -2.181 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)[nH]1 ZINC001051615887 678764469 /nfs/dbraw/zinc/76/44/69/678764469.db2.gz DEMKMMQGAKUMBE-SNVBAGLBSA-N 1 1 321.345 -1.883 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640757 678764836 /nfs/dbraw/zinc/76/48/36/678764836.db2.gz JKCMTRGBXQCCRJ-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640749 678765307 /nfs/dbraw/zinc/76/53/07/678765307.db2.gz JAQMVDOWESKEER-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)n1 ZINC001051640747 678765321 /nfs/dbraw/zinc/76/53/21/678765321.db2.gz IZOZKNOZBVUFCR-GFCCVEGCSA-N 1 1 320.357 -1.576 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051652513 678765342 /nfs/dbraw/zinc/76/53/42/678765342.db2.gz SREHKQLQXUGQRO-CMPLNLGQSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640516 678765453 /nfs/dbraw/zinc/76/54/53/678765453.db2.gz FPPCOCSSXCQXHH-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696639 678766754 /nfs/dbraw/zinc/76/67/54/678766754.db2.gz VHMBVKHFCHIQPN-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001051742222 678767986 /nfs/dbraw/zinc/76/79/86/678767986.db2.gz GGZHYQFXGZNGCW-SECBINFHSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001051741087 678768031 /nfs/dbraw/zinc/76/80/31/678768031.db2.gz UCSXLVDNEOGSSA-MRVPVSSYSA-N 1 1 324.370 -1.308 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3cnco3)CCO2)nc1=O ZINC001051742998 678768073 /nfs/dbraw/zinc/76/80/73/678768073.db2.gz VGMRWLPZUWBBDJ-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CNC(=O)C1 ZINC001051733012 678768126 /nfs/dbraw/zinc/76/81/26/678768126.db2.gz VRIAHQUDUPNWOH-SMDDNHRTSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752106 678768714 /nfs/dbraw/zinc/76/87/14/678768714.db2.gz DEYQNIHFTZWBRZ-NEPJUHHUSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051749624 678768734 /nfs/dbraw/zinc/76/87/34/678768734.db2.gz HEVMCYMWYBJZEH-QWRGUYRKSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051747625 678768742 /nfs/dbraw/zinc/76/87/42/678768742.db2.gz OWALIANHSLKLIZ-SECBINFHSA-N 1 1 321.345 -1.733 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051749098 678768795 /nfs/dbraw/zinc/76/87/95/678768795.db2.gz APWGWWUEPVAVGG-ZJUUUORDSA-N 1 1 308.342 -1.568 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051752756 678769204 /nfs/dbraw/zinc/76/92/04/678769204.db2.gz PNZDERYAILUTTH-NEPJUHHUSA-N 1 1 319.365 -1.070 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753254 678769237 /nfs/dbraw/zinc/76/92/37/678769237.db2.gz ZIMBWAYYFMORPQ-WDEREUQCSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)[nH]1 ZINC001051752444 678769264 /nfs/dbraw/zinc/76/92/64/678769264.db2.gz JYXPKACAECUQQW-QWRGUYRKSA-N 1 1 322.369 -1.434 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753251 678769276 /nfs/dbraw/zinc/76/92/76/678769276.db2.gz ZIMBWAYYFMORPQ-GHMZBOCLSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nn1 ZINC001051752895 678769332 /nfs/dbraw/zinc/76/93/32/678769332.db2.gz RTJSPOXOKIQZAW-NEPJUHHUSA-N 1 1 322.369 -1.732 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051752329 678769359 /nfs/dbraw/zinc/76/93/59/678769359.db2.gz HYOYOHOKFGUOCJ-MNOVXSKESA-N 1 1 309.326 -1.477 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)NC1=O ZINC001051755854 678769568 /nfs/dbraw/zinc/76/95/68/678769568.db2.gz KZUFVXVSHNGWNV-WDEREUQCSA-N 1 1 324.341 -1.590 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)[nH]1 ZINC001051752445 678769623 /nfs/dbraw/zinc/76/96/23/678769623.db2.gz JYXPKACAECUQQW-WDEREUQCSA-N 1 1 322.369 -1.434 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051752330 678769667 /nfs/dbraw/zinc/76/96/67/678769667.db2.gz HYOYOHOKFGUOCJ-QWRGUYRKSA-N 1 1 309.326 -1.477 20 0 DAADMO CCc1cc(N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001051766109 678770006 /nfs/dbraw/zinc/77/00/06/678770006.db2.gz GROUPYXGDNVLBB-WDEREUQCSA-N 1 1 307.354 -1.111 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774265 678770842 /nfs/dbraw/zinc/77/08/42/678770842.db2.gz VOWVZRIWBQGNBK-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nn1 ZINC001051792434 678771392 /nfs/dbraw/zinc/77/13/92/678771392.db2.gz LSCUGRDVWLSYCK-QWRGUYRKSA-N 1 1 323.357 -2.187 20 0 DAADMO CN1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001051782161 678771723 /nfs/dbraw/zinc/77/17/23/678771723.db2.gz VZIZMOPGCHAAJO-RYUDHWBXSA-N 1 1 323.353 -1.135 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)[nH]1 ZINC001051793104 678772026 /nfs/dbraw/zinc/77/20/26/678772026.db2.gz SEXDUFPIUJFRDA-VHSXEESVSA-N 1 1 323.357 -1.888 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)[nH]1 ZINC001051793102 678772170 /nfs/dbraw/zinc/77/21/70/678772170.db2.gz SEXDUFPIUJFRDA-UWVGGRQHSA-N 1 1 323.357 -1.888 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793948 678772222 /nfs/dbraw/zinc/77/22/22/678772222.db2.gz XWUCPMFCMFZXRI-PWSUYJOCSA-N 1 1 323.353 -1.019 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC001051793749 678772280 /nfs/dbraw/zinc/77/22/80/678772280.db2.gz CMNITYKEUCYYNA-NSHDSACASA-N 1 1 310.358 -1.339 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)[nH]1 ZINC001051793106 678772385 /nfs/dbraw/zinc/77/23/85/678772385.db2.gz SEXDUFPIUJFRDA-ZJUUUORDSA-N 1 1 323.357 -1.888 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051792572 678772451 /nfs/dbraw/zinc/77/24/51/678772451.db2.gz MSCYDZADTJSKGW-NXEZZACHSA-N 1 1 310.314 -1.932 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001051793741 678772459 /nfs/dbraw/zinc/77/24/59/678772459.db2.gz CHLNGSOERBGQSM-VIFPVBQESA-N 1 1 324.341 -2.389 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051792573 678772525 /nfs/dbraw/zinc/77/25/25/678772525.db2.gz MSCYDZADTJSKGW-UWVGGRQHSA-N 1 1 310.314 -1.932 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794775 678773126 /nfs/dbraw/zinc/77/31/26/678773126.db2.gz SCFVBYVLYILBKP-SECBINFHSA-N 1 1 324.385 -1.096 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC001051795183 678773434 /nfs/dbraw/zinc/77/34/34/678773434.db2.gz BVXLUDRTVUVNGK-SECBINFHSA-N 1 1 310.358 -1.820 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051796697 678773598 /nfs/dbraw/zinc/77/35/98/678773598.db2.gz UJFIDIBFJAAIOW-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1C1CC1 ZINC001051796464 678773622 /nfs/dbraw/zinc/77/36/22/678773622.db2.gz RMBLFBOLYDCNOL-LLVKDONJSA-N 1 1 322.369 -1.276 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051797758 678773644 /nfs/dbraw/zinc/77/36/44/678773644.db2.gz FAUMPWPKVNMFDD-SNVBAGLBSA-N 1 1 322.369 -1.602 20 0 DAADMO NC(=O)C1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC001051797415 678773710 /nfs/dbraw/zinc/77/37/10/678773710.db2.gz AGNPWHXEFZIREO-SNVBAGLBSA-N 1 1 309.326 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051795084 678773842 /nfs/dbraw/zinc/77/38/42/678773842.db2.gz ZKXIDLBXWIRJFY-VIFPVBQESA-N 1 1 323.357 -2.207 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)nn1 ZINC001051798322 678774352 /nfs/dbraw/zinc/77/43/52/678774352.db2.gz JRYFDLBXWTZSHY-NSHDSACASA-N 1 1 322.369 -1.602 20 0 DAADMO CN1CC(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)=NC1=O ZINC001051803109 678774663 /nfs/dbraw/zinc/77/46/63/678774663.db2.gz JCFMIPDQKOYELR-ZJUUUORDSA-N 1 1 323.353 -1.555 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826337 678775270 /nfs/dbraw/zinc/77/52/70/678775270.db2.gz BJFPNXNHCPEWBF-MXWKQRLJSA-N 1 1 323.353 -1.184 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051827922 678775320 /nfs/dbraw/zinc/77/53/20/678775320.db2.gz VECFFVRDUFQBME-MXWKQRLJSA-N 1 1 309.326 -1.492 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)n1 ZINC001051867409 678776092 /nfs/dbraw/zinc/77/60/92/678776092.db2.gz JDWXNZOWMLTTKE-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001051871224 678776322 /nfs/dbraw/zinc/77/63/22/678776322.db2.gz VEWXVKPTHXUBHK-SNVBAGLBSA-N 1 1 318.341 -1.369 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)[nH]1 ZINC001051869337 678776444 /nfs/dbraw/zinc/77/64/44/678776444.db2.gz OBDQCSVJYUFYLN-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051869993 678776733 /nfs/dbraw/zinc/77/67/33/678776733.db2.gz DDGYDQYENYOYHL-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)n1 ZINC001051896824 678777976 /nfs/dbraw/zinc/77/79/76/678777976.db2.gz NFVYCWVJPHFYGN-NSHDSACASA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCOC2)CCO1 ZINC001051884194 678778171 /nfs/dbraw/zinc/77/81/71/678778171.db2.gz JQWUPOGPVUBSPP-SMDDNHRTSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051923862 678778657 /nfs/dbraw/zinc/77/86/57/678778657.db2.gz ACBLJKAHZZGJEJ-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051908818 678778781 /nfs/dbraw/zinc/77/87/81/678778781.db2.gz LZUUHCFUCKBSJA-QWRGUYRKSA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)[nH]1 ZINC001051909298 678778848 /nfs/dbraw/zinc/77/88/48/678778848.db2.gz QMWWEBKDHKLHPL-QWRGUYRKSA-N 1 1 322.369 -1.291 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924652 678779317 /nfs/dbraw/zinc/77/93/17/678779317.db2.gz SHXPUGWAOXVXLL-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCO2)nn1 ZINC001051924618 678779410 /nfs/dbraw/zinc/77/94/10/678779410.db2.gz RYUIVHBWDIEURQ-GFCCVEGCSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)n1 ZINC001051929467 678779458 /nfs/dbraw/zinc/77/94/58/678779458.db2.gz BVGCFPJFXPUIDK-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCO2)n1 ZINC001051924166 678779473 /nfs/dbraw/zinc/77/94/73/678779473.db2.gz HRCRNOPYUKRUSE-GFCCVEGCSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924651 678779547 /nfs/dbraw/zinc/77/95/47/678779547.db2.gz SHXPUGWAOXVXLL-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)n1 ZINC001051929468 678779576 /nfs/dbraw/zinc/77/95/76/678779576.db2.gz BVGCFPJFXPUIDK-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052073694 678784941 /nfs/dbraw/zinc/78/49/41/678784941.db2.gz MOWFKDTYZCSHCH-RYUDHWBXSA-N 1 1 313.377 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116969 678786353 /nfs/dbraw/zinc/78/63/53/678786353.db2.gz CHISSVMQWSKQPQ-ZIAGYGMSSA-N 1 1 323.441 -1.358 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116966 678786971 /nfs/dbraw/zinc/78/69/71/678786971.db2.gz CHISSVMQWSKQPQ-KBPBESRZSA-N 1 1 323.441 -1.358 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001052184568 678787450 /nfs/dbraw/zinc/78/74/50/678787450.db2.gz MQYLUWOFIOPSPU-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)C1=O ZINC001052188232 678787487 /nfs/dbraw/zinc/78/74/87/678787487.db2.gz REGCJVSNRGTDAX-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052183645 678787617 /nfs/dbraw/zinc/78/76/17/678787617.db2.gz GREGPGFWFNNZLQ-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052189807 678787640 /nfs/dbraw/zinc/78/76/40/678787640.db2.gz AYEXAKUNOCQZOV-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052313749 678788934 /nfs/dbraw/zinc/78/89/34/678788934.db2.gz CJPBXFPHCIBNPH-JTQLQIEISA-N 1 1 310.358 -1.300 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052326005 678789221 /nfs/dbraw/zinc/78/92/21/678789221.db2.gz WEFMGCHTUKZURY-GHMZBOCLSA-N 1 1 322.369 -1.157 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001057738835 678789495 /nfs/dbraw/zinc/78/94/95/678789495.db2.gz FSDAVCZBJGVFDU-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001057738835 678789496 /nfs/dbraw/zinc/78/94/96/678789496.db2.gz FSDAVCZBJGVFDU-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001057738835 678789499 /nfs/dbraw/zinc/78/94/99/678789499.db2.gz FSDAVCZBJGVFDU-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001057738835 678789501 /nfs/dbraw/zinc/78/95/01/678789501.db2.gz FSDAVCZBJGVFDU-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001057738835 678789502 /nfs/dbraw/zinc/78/95/02/678789502.db2.gz FSDAVCZBJGVFDU-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382668 678789726 /nfs/dbraw/zinc/78/97/26/678789726.db2.gz RERAJISOVXLXNO-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393994 678789811 /nfs/dbraw/zinc/78/98/11/678789811.db2.gz SXFJJAGSLYLYHY-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380247 678789891 /nfs/dbraw/zinc/78/98/91/678789891.db2.gz VMIPXIXYBPLPDZ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380247 678789896 /nfs/dbraw/zinc/78/98/96/678789896.db2.gz VMIPXIXYBPLPDZ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393995 678789954 /nfs/dbraw/zinc/78/99/54/678789954.db2.gz SXFJJAGSLYLYHY-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382504 678789994 /nfs/dbraw/zinc/78/99/94/678789994.db2.gz NEHOUIUNJFEQHB-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380244 678790029 /nfs/dbraw/zinc/79/00/29/678790029.db2.gz VMIPXIXYBPLPDZ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380244 678790031 /nfs/dbraw/zinc/79/00/31/678790031.db2.gz VMIPXIXYBPLPDZ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382507 678790271 /nfs/dbraw/zinc/79/02/71/678790271.db2.gz NEHOUIUNJFEQHB-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)cc1=O ZINC001052456192 678791153 /nfs/dbraw/zinc/79/11/53/678791153.db2.gz CBSKZHKJEGSFPW-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)CC1 ZINC001052447914 678791248 /nfs/dbraw/zinc/79/12/48/678791248.db2.gz PPXXCNIFGRNDKP-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)c1=O ZINC001052506514 678791658 /nfs/dbraw/zinc/79/16/58/678791658.db2.gz FVHSJCRIUSMPAI-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)CC1=O ZINC001052502935 678791676 /nfs/dbraw/zinc/79/16/76/678791676.db2.gz PCUPLDPIUUVSDK-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052507670 678791721 /nfs/dbraw/zinc/79/17/21/678791721.db2.gz WPZVMEGFADXYEY-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001052506545 678791859 /nfs/dbraw/zinc/79/18/59/678791859.db2.gz GUIRBSRLNXYVOI-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506388 678791972 /nfs/dbraw/zinc/79/19/72/678791972.db2.gz CQRPORJVASPDFK-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)CC1=O ZINC001052502938 678791984 /nfs/dbraw/zinc/79/19/84/678791984.db2.gz PCUPLDPIUUVSDK-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622601 678792725 /nfs/dbraw/zinc/79/27/25/678792725.db2.gz VRHLLQZPPZDCLN-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622602 678792749 /nfs/dbraw/zinc/79/27/49/678792749.db2.gz VRHLLQZPPZDCLN-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001052621675 678792816 /nfs/dbraw/zinc/79/28/16/678792816.db2.gz GBTSFINAAYOTLH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001052640430 678793055 /nfs/dbraw/zinc/79/30/55/678793055.db2.gz HZZYIJAWYRIBRX-MWLCHTKSSA-N 1 1 307.354 -1.112 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052634487 678793187 /nfs/dbraw/zinc/79/31/87/678793187.db2.gz WVZVYINUWGDDCQ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)COC)C1 ZINC001057791152 678793482 /nfs/dbraw/zinc/79/34/82/678793482.db2.gz ZLWGTYDMZSWKPS-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)COC)C1 ZINC001057791152 678793485 /nfs/dbraw/zinc/79/34/85/678793485.db2.gz ZLWGTYDMZSWKPS-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001057863105 678796711 /nfs/dbraw/zinc/79/67/11/678796711.db2.gz GDEIYQJKBNYBDA-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001057863105 678796714 /nfs/dbraw/zinc/79/67/14/678796714.db2.gz GDEIYQJKBNYBDA-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001057863105 678796717 /nfs/dbraw/zinc/79/67/17/678796717.db2.gz GDEIYQJKBNYBDA-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001057863105 678796721 /nfs/dbraw/zinc/79/67/21/678796721.db2.gz GDEIYQJKBNYBDA-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001057863105 678796725 /nfs/dbraw/zinc/79/67/25/678796725.db2.gz GDEIYQJKBNYBDA-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO NC(=O)C(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001057876421 678797182 /nfs/dbraw/zinc/79/71/82/678797182.db2.gz JGASNOWRUCXBCZ-SNVBAGLBSA-N 1 1 323.353 -1.817 20 0 DAADMO CC(=O)NCCN(CCO)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001057874879 678797218 /nfs/dbraw/zinc/79/72/18/678797218.db2.gz DHNALJDSXBNKCF-ZDUSSCGKSA-N 1 1 311.386 -1.230 20 0 DAADMO NC(=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001057876420 678797415 /nfs/dbraw/zinc/79/74/15/678797415.db2.gz JGASNOWRUCXBCZ-JTQLQIEISA-N 1 1 323.353 -1.817 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)O1 ZINC001057973139 678800299 /nfs/dbraw/zinc/80/02/99/678800299.db2.gz NCACYPFDTUVYJH-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)O1 ZINC001057973139 678800305 /nfs/dbraw/zinc/80/03/05/678800305.db2.gz NCACYPFDTUVYJH-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001057993964 678801083 /nfs/dbraw/zinc/80/10/83/678801083.db2.gz DYFAITYZRMTPTC-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2ccnc2)C1 ZINC001057996779 678801487 /nfs/dbraw/zinc/80/14/87/678801487.db2.gz XRQDRTMFHVFJES-CYBMUJFWSA-N 1 1 323.397 -1.228 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058038838 678802531 /nfs/dbraw/zinc/80/25/31/678802531.db2.gz IAUJXXOHNIQVLA-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058038719 678802658 /nfs/dbraw/zinc/80/26/58/678802658.db2.gz DVXZOKAPOOMNIU-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058038719 678802659 /nfs/dbraw/zinc/80/26/59/678802659.db2.gz DVXZOKAPOOMNIU-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058038719 678802662 /nfs/dbraw/zinc/80/26/62/678802662.db2.gz DVXZOKAPOOMNIU-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058055934 678804107 /nfs/dbraw/zinc/80/41/07/678804107.db2.gz VHXMTNDCPBJPKO-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057787 678804350 /nfs/dbraw/zinc/80/43/50/678804350.db2.gz FCNASIOTEOCGHE-NSHDSACASA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057787 678804353 /nfs/dbraw/zinc/80/43/53/678804353.db2.gz FCNASIOTEOCGHE-NSHDSACASA-N 1 1 310.358 -1.550 20 0 DAADMO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058058938 678805431 /nfs/dbraw/zinc/80/54/31/678805431.db2.gz JHIRUBZPWZHTCV-UHFFFAOYSA-N 1 1 310.358 -1.549 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058059286 678805578 /nfs/dbraw/zinc/80/55/78/678805578.db2.gz XPCBOPPPTIXMJQ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058059340 678805698 /nfs/dbraw/zinc/80/56/98/678805698.db2.gz ZCVWCXQFQLLISH-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001058169591 678809684 /nfs/dbraw/zinc/80/96/84/678809684.db2.gz BDZDQRBCEQPPAR-NSHDSACASA-N 1 1 312.374 -1.304 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058310254 678816504 /nfs/dbraw/zinc/81/65/04/678816504.db2.gz NGEKVYJIZAVMIQ-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058310254 678816506 /nfs/dbraw/zinc/81/65/06/678816506.db2.gz NGEKVYJIZAVMIQ-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058378805 678817990 /nfs/dbraw/zinc/81/79/90/678817990.db2.gz OBNJZNKFGLKVDP-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058378849 678818075 /nfs/dbraw/zinc/81/80/75/678818075.db2.gz POYNJPPNLKSOPZ-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058378806 678818109 /nfs/dbraw/zinc/81/81/09/678818109.db2.gz OBNJZNKFGLKVDP-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058384223 678818579 /nfs/dbraw/zinc/81/85/79/678818579.db2.gz BLJSPSNGVWCPQW-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058405590 678819924 /nfs/dbraw/zinc/81/99/24/678819924.db2.gz NGEKVYJIZAVMIQ-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058405590 678819927 /nfs/dbraw/zinc/81/99/27/678819927.db2.gz NGEKVYJIZAVMIQ-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)C1 ZINC001067551768 678822821 /nfs/dbraw/zinc/82/28/21/678822821.db2.gz XPNYGOUDQNCVIN-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)C1 ZINC001067551768 678822824 /nfs/dbraw/zinc/82/28/24/678822824.db2.gz XPNYGOUDQNCVIN-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1=O ZINC000384659831 678826488 /nfs/dbraw/zinc/82/64/88/678826488.db2.gz BCRAIWLIUFHRQF-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068420780 678829252 /nfs/dbraw/zinc/82/92/52/678829252.db2.gz VOWYGXUUETUMLF-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068447615 678829456 /nfs/dbraw/zinc/82/94/56/678829456.db2.gz OXBCVJOZNOWNPG-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068617751 678831885 /nfs/dbraw/zinc/83/18/85/678831885.db2.gz GRCDTODJHUDDPD-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068615541 678831987 /nfs/dbraw/zinc/83/19/87/678831987.db2.gz ZXRMBHBYNPJTPE-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@H](CNC(=O)C(N)=O)O3)C1 ZINC001068617748 678832192 /nfs/dbraw/zinc/83/21/92/678832192.db2.gz GRCDTODJHUDDPD-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068778434 678836558 /nfs/dbraw/zinc/83/65/58/678836558.db2.gz FXMVXFGUTNZTRD-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068783407 678837688 /nfs/dbraw/zinc/83/76/88/678837688.db2.gz CVEUHIDBDQJEBV-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940778 678839810 /nfs/dbraw/zinc/83/98/10/678839810.db2.gz QJCQPSGDYQSLTH-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1ncn[nH]1)CO2 ZINC001068951208 678839889 /nfs/dbraw/zinc/83/98/89/678839889.db2.gz KEACUTFGJADNIN-JTQLQIEISA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1nc[nH]n1)CO2 ZINC001068951208 678839891 /nfs/dbraw/zinc/83/98/91/678839891.db2.gz KEACUTFGJADNIN-JTQLQIEISA-N 1 1 322.369 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068992587 678840474 /nfs/dbraw/zinc/84/04/74/678840474.db2.gz LSDUTWLYVXBTHZ-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)[nH]1 ZINC001069902302 678845816 /nfs/dbraw/zinc/84/58/16/678845816.db2.gz QEWLKQKNJZJXPB-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)[nH]1 ZINC001069902302 678845821 /nfs/dbraw/zinc/84/58/21/678845821.db2.gz QEWLKQKNJZJXPB-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069897060 678845845 /nfs/dbraw/zinc/84/58/45/678845845.db2.gz WUMNRNLAYPYPSA-NEPJUHHUSA-N 1 1 305.342 -1.491 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069897060 678845848 /nfs/dbraw/zinc/84/58/48/678845848.db2.gz WUMNRNLAYPYPSA-NEPJUHHUSA-N 1 1 305.342 -1.491 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1CCC(=O)N1 ZINC001069903435 678845950 /nfs/dbraw/zinc/84/59/50/678845950.db2.gz XEIMRMWHQYCLDA-UTUOFQBUSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cnsn1 ZINC001069900230 678846100 /nfs/dbraw/zinc/84/61/00/678846100.db2.gz UXTIQXFYEPBPDK-ZJUUUORDSA-N 1 1 309.355 -1.223 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cnsn1 ZINC001069900230 678846104 /nfs/dbraw/zinc/84/61/04/678846104.db2.gz UXTIQXFYEPBPDK-ZJUUUORDSA-N 1 1 309.355 -1.223 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069896796 678846142 /nfs/dbraw/zinc/84/61/42/678846142.db2.gz IGKPTGJBKLFUTI-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069925164 678846699 /nfs/dbraw/zinc/84/66/99/678846699.db2.gz YXIBZEHJHNYGCN-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069925164 678846704 /nfs/dbraw/zinc/84/67/04/678846704.db2.gz YXIBZEHJHNYGCN-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069920297 678846732 /nfs/dbraw/zinc/84/67/32/678846732.db2.gz GAQXPYRWCMVOFD-MXWKQRLJSA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069920297 678846736 /nfs/dbraw/zinc/84/67/36/678846736.db2.gz GAQXPYRWCMVOFD-MXWKQRLJSA-N 1 1 320.357 -1.557 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)nn1 ZINC001069920577 678846906 /nfs/dbraw/zinc/84/69/06/678846906.db2.gz UETRJIRYLZZIAA-PWSUYJOCSA-N 1 1 320.357 -1.556 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)nn1 ZINC001069920577 678846910 /nfs/dbraw/zinc/84/69/10/678846910.db2.gz UETRJIRYLZZIAA-PWSUYJOCSA-N 1 1 320.357 -1.556 20 0 DAADMO CC(C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069928462 678847191 /nfs/dbraw/zinc/84/71/91/678847191.db2.gz FCLKOTWQUZTSCG-MNOVXSKESA-N 1 1 305.346 -1.285 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069939098 678847205 /nfs/dbraw/zinc/84/72/05/678847205.db2.gz XQOPBJNLEZDHCK-MNOVXSKESA-N 1 1 306.330 -2.096 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069939098 678847207 /nfs/dbraw/zinc/84/72/07/678847207.db2.gz XQOPBJNLEZDHCK-MNOVXSKESA-N 1 1 306.330 -2.096 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](n2ccnn2)C1 ZINC001069947228 678848365 /nfs/dbraw/zinc/84/83/65/678848365.db2.gz RSHQBPZPVHJOEC-NEPJUHHUSA-N 1 1 322.369 -1.502 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CNC(=O)C1 ZINC001069986920 678848798 /nfs/dbraw/zinc/84/87/98/678848798.db2.gz JPFYJQREEMSEQX-SUNKGSAMSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CNC(=O)C1 ZINC001069986920 678848803 /nfs/dbraw/zinc/84/88/03/678848803.db2.gz JPFYJQREEMSEQX-SUNKGSAMSA-N 1 1 322.369 -1.862 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001069994969 678849120 /nfs/dbraw/zinc/84/91/20/678849120.db2.gz BNBXBKBKCWVWBY-GDPRMGEGSA-N 1 1 320.357 -1.259 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001069994969 678849126 /nfs/dbraw/zinc/84/91/26/678849126.db2.gz BNBXBKBKCWVWBY-GDPRMGEGSA-N 1 1 320.357 -1.259 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000757 678849313 /nfs/dbraw/zinc/84/93/13/678849313.db2.gz MCDSRGWLXPUGEH-ZJUUUORDSA-N 1 1 321.345 -1.897 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000757 678849317 /nfs/dbraw/zinc/84/93/17/678849317.db2.gz MCDSRGWLXPUGEH-ZJUUUORDSA-N 1 1 321.345 -1.897 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)n1 ZINC001070000967 678849598 /nfs/dbraw/zinc/84/95/98/678849598.db2.gz ZALQXVFIRPDLDY-MNOVXSKESA-N 1 1 317.357 -1.133 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000588 678849718 /nfs/dbraw/zinc/84/97/18/678849718.db2.gz BJTCDVLVSBCUDF-AEJSXWLSSA-N 1 1 321.345 -2.162 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000588 678849721 /nfs/dbraw/zinc/84/97/21/678849721.db2.gz BJTCDVLVSBCUDF-AEJSXWLSSA-N 1 1 321.345 -2.162 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001070000591 678849727 /nfs/dbraw/zinc/84/97/27/678849727.db2.gz BPXAQDQJIWQGOH-ZJUUUORDSA-N 1 1 321.345 -2.161 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001070000591 678849730 /nfs/dbraw/zinc/84/97/30/678849730.db2.gz BPXAQDQJIWQGOH-ZJUUUORDSA-N 1 1 321.345 -2.161 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011896 678850230 /nfs/dbraw/zinc/85/02/30/678850230.db2.gz YUOHGPIMDTWRKM-BBBLOLIVSA-N 1 1 309.330 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011896 678850234 /nfs/dbraw/zinc/85/02/34/678850234.db2.gz YUOHGPIMDTWRKM-BBBLOLIVSA-N 1 1 309.330 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011709 678850595 /nfs/dbraw/zinc/85/05/95/678850595.db2.gz QIHYWTNFQRMALN-TUAOUCFPSA-N 1 1 319.369 -1.289 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1)OC ZINC001070014148 678850756 /nfs/dbraw/zinc/85/07/56/678850756.db2.gz YTJMYTHIZBLINL-AXFHLTTASA-N 1 1 310.358 -1.470 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001070013858 678850935 /nfs/dbraw/zinc/85/09/35/678850935.db2.gz JTUQLVRJZSLUAJ-MNOVXSKESA-N 1 1 318.341 -1.998 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001070013858 678850940 /nfs/dbraw/zinc/85/09/40/678850940.db2.gz JTUQLVRJZSLUAJ-MNOVXSKESA-N 1 1 318.341 -1.998 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070013726 678851294 /nfs/dbraw/zinc/85/12/94/678851294.db2.gz CWXLLSNVLXEIKE-UTUOFQBUSA-N 1 1 322.369 -1.469 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ccnnc1 ZINC001070037468 678851809 /nfs/dbraw/zinc/85/18/09/678851809.db2.gz YMPQFYPSQOWSSS-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccnnc1 ZINC001070037468 678851811 /nfs/dbraw/zinc/85/18/11/678851811.db2.gz YMPQFYPSQOWSSS-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070051561 678852521 /nfs/dbraw/zinc/85/25/21/678852521.db2.gz BRKXPSRNOWZIBO-UTUOFQBUSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070051561 678852524 /nfs/dbraw/zinc/85/25/24/678852524.db2.gz BRKXPSRNOWZIBO-UTUOFQBUSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)c1cnon1 ZINC001070058574 678853191 /nfs/dbraw/zinc/85/31/91/678853191.db2.gz KKPUOLNWANTXHQ-MNOVXSKESA-N 1 1 307.314 -1.301 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)c1cnon1 ZINC001070058574 678853195 /nfs/dbraw/zinc/85/31/95/678853195.db2.gz KKPUOLNWANTXHQ-MNOVXSKESA-N 1 1 307.314 -1.301 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)nn1 ZINC001070066070 678853207 /nfs/dbraw/zinc/85/32/07/678853207.db2.gz SAOXCNCSMBSUEP-PWSUYJOCSA-N 1 1 320.357 -1.463 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)nn1 ZINC001070066070 678853208 /nfs/dbraw/zinc/85/32/08/678853208.db2.gz SAOXCNCSMBSUEP-PWSUYJOCSA-N 1 1 320.357 -1.463 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070062990 678853251 /nfs/dbraw/zinc/85/32/51/678853251.db2.gz NKCOZNWEDHTXQC-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070079901 678853617 /nfs/dbraw/zinc/85/36/17/678853617.db2.gz ZXCWKDREQOLRDE-TUAOUCFPSA-N 1 1 322.369 -1.455 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070079901 678853619 /nfs/dbraw/zinc/85/36/19/678853619.db2.gz ZXCWKDREQOLRDE-TUAOUCFPSA-N 1 1 322.369 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001070109483 678854364 /nfs/dbraw/zinc/85/43/64/678854364.db2.gz YXKORCGDPWPFQF-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097449 678854837 /nfs/dbraw/zinc/85/48/37/678854837.db2.gz SKMGYUGZENPTBH-MCIONIFRSA-N 1 1 322.413 -1.046 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097449 678854840 /nfs/dbraw/zinc/85/48/40/678854840.db2.gz SKMGYUGZENPTBH-MCIONIFRSA-N 1 1 322.413 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](n2ccnn2)C1 ZINC001070109484 678854905 /nfs/dbraw/zinc/85/49/05/678854905.db2.gz YXKORCGDPWPFQF-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070122207 678855496 /nfs/dbraw/zinc/85/54/96/678855496.db2.gz PWXAWFRLYAWCRW-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070147209 678856005 /nfs/dbraw/zinc/85/60/05/678856005.db2.gz XRACUPHYSNGMPD-ZJUUUORDSA-N 1 1 304.314 -1.858 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070143941 678856196 /nfs/dbraw/zinc/85/61/96/678856196.db2.gz CJEOMQDPJYHJEV-UHFFFAOYSA-N 1 1 314.386 -1.407 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070158919 678856895 /nfs/dbraw/zinc/85/68/95/678856895.db2.gz WZKLRKJOVGWYQB-WOPDTQHZSA-N 1 1 321.385 -1.801 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070158919 678856901 /nfs/dbraw/zinc/85/69/01/678856901.db2.gz WZKLRKJOVGWYQB-WOPDTQHZSA-N 1 1 321.385 -1.801 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277175 678864025 /nfs/dbraw/zinc/86/40/25/678864025.db2.gz HYACYTDIKFYFHL-WOPDTQHZSA-N 1 1 323.401 -1.555 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327130 678864596 /nfs/dbraw/zinc/86/45/96/678864596.db2.gz TYWXYEZXAIALBO-UTUOFQBUSA-N 1 1 321.385 -1.943 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327130 678864597 /nfs/dbraw/zinc/86/45/97/678864597.db2.gz TYWXYEZXAIALBO-UTUOFQBUSA-N 1 1 321.385 -1.943 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327129 678864643 /nfs/dbraw/zinc/86/46/43/678864643.db2.gz TYWXYEZXAIALBO-TUAOUCFPSA-N 1 1 321.385 -1.943 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070327129 678864646 /nfs/dbraw/zinc/86/46/46/678864646.db2.gz TYWXYEZXAIALBO-TUAOUCFPSA-N 1 1 321.385 -1.943 20 0 DAADMO Cn1nnc(C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCO)C2)n1 ZINC001070421694 678866825 /nfs/dbraw/zinc/86/68/25/678866825.db2.gz UJLBLXATOWTDGQ-VIFPVBQESA-N 1 1 320.357 -1.355 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001070407192 678866928 /nfs/dbraw/zinc/86/69/28/678866928.db2.gz ZVZIVWAKOYAKFZ-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCNC1=O ZINC001070419942 678867047 /nfs/dbraw/zinc/86/70/47/678867047.db2.gz LVUSSGPUPPBDFG-PWSUYJOCSA-N 1 1 321.381 -1.056 20 0 DAADMO COCC(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070437503 678867407 /nfs/dbraw/zinc/86/74/07/678867407.db2.gz WAEYJZXNXUBBQZ-LLVKDONJSA-N 1 1 309.370 -1.020 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070471613 678867587 /nfs/dbraw/zinc/86/75/87/678867587.db2.gz UTOKZOCKYSKGTD-JOYOIKCWSA-N 1 1 317.353 -1.174 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001070585515 678869602 /nfs/dbraw/zinc/86/96/02/678869602.db2.gz DDXYINVCKAAXPA-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001070585515 678869607 /nfs/dbraw/zinc/86/96/07/678869607.db2.gz DDXYINVCKAAXPA-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@H+](CC(N)=O)C1 ZINC001070605711 678870249 /nfs/dbraw/zinc/87/02/49/678870249.db2.gz XRIWMMYRHADUIT-DTWKUNHWSA-N 1 1 324.341 -2.119 20 0 DAADMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@@H+](CC(N)=O)C1 ZINC001070605711 678870250 /nfs/dbraw/zinc/87/02/50/678870250.db2.gz XRIWMMYRHADUIT-DTWKUNHWSA-N 1 1 324.341 -2.119 20 0 DAADMO CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001070919659 678875374 /nfs/dbraw/zinc/87/53/74/678875374.db2.gz PWLUBDQBSYWXFO-MXWKQRLJSA-N 1 1 310.354 -1.012 20 0 DAADMO O=C(Cn1cnnn1)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070936953 678875788 /nfs/dbraw/zinc/87/57/88/678875788.db2.gz BWWYCBXXMSEGPK-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 ZINC001070939522 678876522 /nfs/dbraw/zinc/87/65/22/678876522.db2.gz PANCJPKINZFBCC-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 ZINC001070939522 678876524 /nfs/dbraw/zinc/87/65/24/678876524.db2.gz PANCJPKINZFBCC-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 ZINC001070939523 678876682 /nfs/dbraw/zinc/87/66/82/678876682.db2.gz PANCJPKINZFBCC-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cccn2)CC1 ZINC001070939523 678876685 /nfs/dbraw/zinc/87/66/85/678876685.db2.gz PANCJPKINZFBCC-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948620 678876966 /nfs/dbraw/zinc/87/69/66/678876966.db2.gz UELKVZFFKXWXFE-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948620 678876970 /nfs/dbraw/zinc/87/69/70/678876970.db2.gz UELKVZFFKXWXFE-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO NC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070949591 678877104 /nfs/dbraw/zinc/87/71/04/678877104.db2.gz MKOUONXIONSLMG-UHFFFAOYSA-N 1 1 300.359 -2.105 20 0 DAADMO NC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070949591 678877108 /nfs/dbraw/zinc/87/71/08/678877108.db2.gz MKOUONXIONSLMG-UHFFFAOYSA-N 1 1 300.359 -2.105 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948619 678877470 /nfs/dbraw/zinc/87/74/70/678877470.db2.gz UELKVZFFKXWXFE-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948619 678877472 /nfs/dbraw/zinc/87/74/72/678877472.db2.gz UELKVZFFKXWXFE-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001070955323 678877964 /nfs/dbraw/zinc/87/79/64/678877964.db2.gz QRAMMPVTUMAPMA-UHFFFAOYSA-N 1 1 310.358 -1.346 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001070955323 678877967 /nfs/dbraw/zinc/87/79/67/678877967.db2.gz QRAMMPVTUMAPMA-UHFFFAOYSA-N 1 1 310.358 -1.346 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001070957536 678878140 /nfs/dbraw/zinc/87/81/40/678878140.db2.gz KGKCHLDZLQICPK-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001070957536 678878142 /nfs/dbraw/zinc/87/81/42/678878142.db2.gz KGKCHLDZLQICPK-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001070964414 678878657 /nfs/dbraw/zinc/87/86/57/678878657.db2.gz HIOYUVIOUPQDCF-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)[N@H+]1CCNC(=O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001070964414 678878659 /nfs/dbraw/zinc/87/86/59/678878659.db2.gz HIOYUVIOUPQDCF-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001070975236 678879337 /nfs/dbraw/zinc/87/93/37/678879337.db2.gz IJKUCMNTPUUFAY-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001070975236 678879339 /nfs/dbraw/zinc/87/93/39/678879339.db2.gz IJKUCMNTPUUFAY-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO CC[C@H](C[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1)OC ZINC001070993737 678880501 /nfs/dbraw/zinc/88/05/01/678880501.db2.gz MMPBQRGYUCRYPT-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[C@H](C[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1)OC ZINC001070993737 678880502 /nfs/dbraw/zinc/88/05/02/678880502.db2.gz MMPBQRGYUCRYPT-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001071003150 678881168 /nfs/dbraw/zinc/88/11/68/678881168.db2.gz WKYMGMGFBOZXNZ-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001071003150 678881170 /nfs/dbraw/zinc/88/11/70/678881170.db2.gz WKYMGMGFBOZXNZ-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 ZINC001071019369 678881697 /nfs/dbraw/zinc/88/16/97/678881697.db2.gz ICBSVAPYBMPZKW-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 ZINC001071019369 678881699 /nfs/dbraw/zinc/88/16/99/678881699.db2.gz ICBSVAPYBMPZKW-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014345 678881809 /nfs/dbraw/zinc/88/18/09/678881809.db2.gz KKRRMOCAMICNDP-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014345 678881811 /nfs/dbraw/zinc/88/18/11/678881811.db2.gz KKRRMOCAMICNDP-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001071146892 678883680 /nfs/dbraw/zinc/88/36/80/678883680.db2.gz LYJJHEANVCNPMM-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001071146892 678883683 /nfs/dbraw/zinc/88/36/83/678883683.db2.gz LYJJHEANVCNPMM-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071169141 678883828 /nfs/dbraw/zinc/88/38/28/678883828.db2.gz MUJQEEAFWZDQPF-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071134123 678884038 /nfs/dbraw/zinc/88/40/38/678884038.db2.gz NCMZPKLIEIHDHN-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071169109 678884043 /nfs/dbraw/zinc/88/40/43/678884043.db2.gz MGVGQQWJPTWAJR-TZMCWYRMSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071134388 678884061 /nfs/dbraw/zinc/88/40/61/678884061.db2.gz QVNDFBHGXGGPOY-JSGCOSHPSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071199224 678884716 /nfs/dbraw/zinc/88/47/16/678884716.db2.gz KNPVCYYRXGSBMN-SMDDNHRTSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206321 678885232 /nfs/dbraw/zinc/88/52/32/678885232.db2.gz IIHPUFKSNUFHAW-BONVTDFDSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206321 678885235 /nfs/dbraw/zinc/88/52/35/678885235.db2.gz IIHPUFKSNUFHAW-BONVTDFDSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071239168 678886394 /nfs/dbraw/zinc/88/63/94/678886394.db2.gz XKNWRGXDUTUYRX-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CCn1cncn1 ZINC001071339805 678887264 /nfs/dbraw/zinc/88/72/64/678887264.db2.gz FHMVVMMMWQAMJN-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071515391 678890286 /nfs/dbraw/zinc/89/02/86/678890286.db2.gz UKEFCXMACDCLLF-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N(C)C ZINC001071515391 678890288 /nfs/dbraw/zinc/89/02/88/678890288.db2.gz UKEFCXMACDCLLF-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071514323 678890293 /nfs/dbraw/zinc/89/02/93/678890293.db2.gz MKTSZUDLQCOSFZ-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071514323 678890296 /nfs/dbraw/zinc/89/02/96/678890296.db2.gz MKTSZUDLQCOSFZ-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071515393 678890420 /nfs/dbraw/zinc/89/04/20/678890420.db2.gz UKEFCXMACDCLLF-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N(C)C ZINC001071515393 678890422 /nfs/dbraw/zinc/89/04/22/678890422.db2.gz UKEFCXMACDCLLF-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071515392 678890437 /nfs/dbraw/zinc/89/04/37/678890437.db2.gz UKEFCXMACDCLLF-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N(C)C ZINC001071515392 678890439 /nfs/dbraw/zinc/89/04/39/678890439.db2.gz UKEFCXMACDCLLF-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071514345 678890478 /nfs/dbraw/zinc/89/04/78/678890478.db2.gz MKTSZUDLQCOSFZ-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071514345 678890480 /nfs/dbraw/zinc/89/04/80/678890480.db2.gz MKTSZUDLQCOSFZ-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCCO ZINC001071519635 678890545 /nfs/dbraw/zinc/89/05/45/678890545.db2.gz ZAEJBPFVYURNML-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071549871 678891119 /nfs/dbraw/zinc/89/11/19/678891119.db2.gz VWLCQKGIIRTIQC-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[N@H+]1CCO ZINC001071549467 678891160 /nfs/dbraw/zinc/89/11/60/678891160.db2.gz RBFRZBDBBHQSTF-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071549873 678891178 /nfs/dbraw/zinc/89/11/78/678891178.db2.gz VWLCQKGIIRTIQC-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H](N2CCOCC2)C1 ZINC000394596441 678891268 /nfs/dbraw/zinc/89/12/68/678891268.db2.gz NDCYSDURODRAPZ-ZDUSSCGKSA-N 1 1 318.443 -1.067 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071564676 678892055 /nfs/dbraw/zinc/89/20/55/678892055.db2.gz APCAXHXQOINLBJ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071564672 678892150 /nfs/dbraw/zinc/89/21/50/678892150.db2.gz APCAXHXQOINLBJ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[N@H+]1CCO ZINC001071619283 678895278 /nfs/dbraw/zinc/89/52/78/678895278.db2.gz MNQTYCAPZMNYPT-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071582524 678895301 /nfs/dbraw/zinc/89/53/01/678895301.db2.gz WYELKYVJEWQZPH-KOLCDFICSA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CCO ZINC001071660402 678895949 /nfs/dbraw/zinc/89/59/49/678895949.db2.gz VSGDZSUSOZUBMK-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CCCO ZINC001071738233 678897815 /nfs/dbraw/zinc/89/78/15/678897815.db2.gz BCYCFLABFYELRL-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071792081 678897852 /nfs/dbraw/zinc/89/78/52/678897852.db2.gz DOMAEHLWGPIUOX-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001071792081 678897856 /nfs/dbraw/zinc/89/78/56/678897856.db2.gz DOMAEHLWGPIUOX-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071862725 678899947 /nfs/dbraw/zinc/89/99/47/678899947.db2.gz YYCGNAQSDLXWLH-QWRGUYRKSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CC(N)=O ZINC001072054523 678904829 /nfs/dbraw/zinc/90/48/29/678904829.db2.gz FGWMOPRIJQXOBR-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CC(N)=O ZINC001072054523 678904831 /nfs/dbraw/zinc/90/48/31/678904831.db2.gz FGWMOPRIJQXOBR-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[N@H+]1CCO ZINC001072055346 678905092 /nfs/dbraw/zinc/90/50/92/678905092.db2.gz SSZIRZHYMXUQIZ-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1)C(N)=O ZINC001200206845 782193862 /nfs/dbraw/zinc/19/38/62/782193862.db2.gz NOHFJGAXDHASGJ-GHMZBOCLSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1)C(N)=O ZINC001200206848 782193593 /nfs/dbraw/zinc/19/35/93/782193593.db2.gz NOHFJGAXDHASGJ-WDEREUQCSA-N 1 1 324.385 -1.182 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001200342906 782196938 /nfs/dbraw/zinc/19/69/38/782196938.db2.gz BOCDHTPHRIEYBX-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CN1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)CC1 ZINC001273836361 782199802 /nfs/dbraw/zinc/19/98/02/782199802.db2.gz RSXXLPKYJWSVBC-OAHLLOKOSA-N 1 1 310.398 -1.307 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)CC1 ZINC001273836361 782199807 /nfs/dbraw/zinc/19/98/07/782199807.db2.gz RSXXLPKYJWSVBC-OAHLLOKOSA-N 1 1 310.398 -1.307 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895989 782203983 /nfs/dbraw/zinc/20/39/83/782203983.db2.gz JEMLOHSDUMPWBT-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895989 782203989 /nfs/dbraw/zinc/20/39/89/782203989.db2.gz JEMLOHSDUMPWBT-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001110557247 782207754 /nfs/dbraw/zinc/20/77/54/782207754.db2.gz JNIWINYNKDYTEF-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001110557247 782207757 /nfs/dbraw/zinc/20/77/57/782207757.db2.gz JNIWINYNKDYTEF-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001200900699 782209351 /nfs/dbraw/zinc/20/93/51/782209351.db2.gz AKNHJBUBKJBVDE-UHFFFAOYSA-N 1 1 310.362 -1.780 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCCO1 ZINC001201111381 782211029 /nfs/dbraw/zinc/21/10/29/782211029.db2.gz ABIZVLMARKHSRI-JTQLQIEISA-N 1 1 310.358 -1.320 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201120002 782212121 /nfs/dbraw/zinc/21/21/21/782212121.db2.gz KKUHWQSWLMAIBR-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C[C@H](O)CO)CC2 ZINC001252059967 782214500 /nfs/dbraw/zinc/21/45/00/782214500.db2.gz RNNHDNCAPSANSE-ZDUSSCGKSA-N 1 1 323.393 -1.310 20 0 DAADMO CN1CC(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)=NC1=O ZINC001201316750 782216839 /nfs/dbraw/zinc/21/68/39/782216839.db2.gz DXDIXPPJDVGQOO-VIFPVBQESA-N 1 1 311.342 -1.568 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110571672 782224526 /nfs/dbraw/zinc/22/45/26/782224526.db2.gz OPHDLIZBWBJUOS-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110571672 782224532 /nfs/dbraw/zinc/22/45/32/782224532.db2.gz OPHDLIZBWBJUOS-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201931517 782224576 /nfs/dbraw/zinc/22/45/76/782224576.db2.gz RWRJEFFMWZFTAU-MRVPVSSYSA-N 1 1 323.357 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001201925457 782223292 /nfs/dbraw/zinc/22/32/92/782223292.db2.gz NSRJKKMVRHDGTN-UHFFFAOYSA-N 1 1 323.357 -1.237 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001202414784 782233719 /nfs/dbraw/zinc/23/37/19/782233719.db2.gz KCSZPAMNZYIGQO-LLVKDONJSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@]1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCS(=O)(=O)N1 ZINC001115169479 782234199 /nfs/dbraw/zinc/23/41/99/782234199.db2.gz GECASHGCOYLMJX-RSLMWUCJSA-N 1 1 317.411 -1.503 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110626738 782235392 /nfs/dbraw/zinc/23/53/92/782235392.db2.gz OLRCRAGMTTUNBQ-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110626738 782235397 /nfs/dbraw/zinc/23/53/97/782235397.db2.gz OLRCRAGMTTUNBQ-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC001115188279 782235897 /nfs/dbraw/zinc/23/58/97/782235897.db2.gz JTOQZBFKFMALPW-IMRBUKKESA-N 1 1 323.397 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CCC1=O ZINC001114371472 782244278 /nfs/dbraw/zinc/24/42/78/782244278.db2.gz GLEBVSZWEBVZOF-RTUWITSCSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CCC1=O ZINC001114371472 782244285 /nfs/dbraw/zinc/24/42/85/782244285.db2.gz GLEBVSZWEBVZOF-RTUWITSCSA-N 1 1 322.365 -1.553 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376607 782238612 /nfs/dbraw/zinc/23/86/12/782238612.db2.gz RAZDZCYHJLOQNB-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376607 782238620 /nfs/dbraw/zinc/23/86/20/782238620.db2.gz RAZDZCYHJLOQNB-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115221416 782238703 /nfs/dbraw/zinc/23/87/03/782238703.db2.gz VQFIPNOVGOZQST-KLBPJQLPSA-N 1 1 309.370 -1.678 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)C1CS(=O)(=O)C1 ZINC001114321855 782240011 /nfs/dbraw/zinc/24/00/11/782240011.db2.gz VIKOSJFPCUZZHB-GDNZZTSVSA-N 1 1 318.395 -1.914 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)C1CS(=O)(=O)C1 ZINC001114321855 782240020 /nfs/dbraw/zinc/24/00/20/782240020.db2.gz VIKOSJFPCUZZHB-GDNZZTSVSA-N 1 1 318.395 -1.914 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114321366 782240192 /nfs/dbraw/zinc/24/01/92/782240192.db2.gz MAJCGIGEGOCIFV-MVVXRAEJSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114321366 782240196 /nfs/dbraw/zinc/24/01/96/782240196.db2.gz MAJCGIGEGOCIFV-MVVXRAEJSA-N 1 1 320.349 -1.070 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336882 782240607 /nfs/dbraw/zinc/24/06/07/782240607.db2.gz XJQYEGNCCKDYMN-GDGBQDQQSA-N 1 1 321.341 -2.220 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336882 782240612 /nfs/dbraw/zinc/24/06/12/782240612.db2.gz XJQYEGNCCKDYMN-GDGBQDQQSA-N 1 1 321.341 -2.220 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363990 782241624 /nfs/dbraw/zinc/24/16/24/782241624.db2.gz OFECRUZQISNMKY-DCQANWLSSA-N 1 1 319.427 -1.041 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114361438 782241952 /nfs/dbraw/zinc/24/19/52/782241952.db2.gz NOEICXFPDBZOHU-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114361438 782241958 /nfs/dbraw/zinc/24/19/58/782241958.db2.gz NOEICXFPDBZOHU-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)S(C)(=O)=O ZINC001114363553 782242044 /nfs/dbraw/zinc/24/20/44/782242044.db2.gz FUDWBNCYZHFVBP-IAZYJMLFSA-N 1 1 305.400 -1.693 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114375708 782242640 /nfs/dbraw/zinc/24/26/40/782242640.db2.gz FOBKGPBUGAVZOM-SVDPJWKOSA-N 1 1 300.359 -2.031 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccccc1=O ZINC001114368413 782243018 /nfs/dbraw/zinc/24/30/18/782243018.db2.gz LIZLTSKPYPZYIP-HBYGRHMLSA-N 1 1 304.350 -1.230 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccccc1=O ZINC001114368413 782243027 /nfs/dbraw/zinc/24/30/27/782243027.db2.gz LIZLTSKPYPZYIP-HBYGRHMLSA-N 1 1 304.350 -1.230 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)NC)C1=O ZINC001114376711 782243726 /nfs/dbraw/zinc/24/37/26/782243726.db2.gz QZSBIKWIRMIRQK-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115249375 782245669 /nfs/dbraw/zinc/24/56/69/782245669.db2.gz BWFYVROGWULBHX-VROVMSAKSA-N 1 1 304.372 -2.672 20 0 DAADMO O=C(CCCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114399490 782245752 /nfs/dbraw/zinc/24/57/52/782245752.db2.gz RCJBWDCQSMWVAZ-CZXHOFHRSA-N 1 1 318.381 -1.007 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)o1 ZINC001114401442 782245952 /nfs/dbraw/zinc/24/59/52/782245952.db2.gz QDJPFLZVQFJFIH-IWIIMEHWSA-N 1 1 321.337 -1.233 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)o1 ZINC001114401442 782245957 /nfs/dbraw/zinc/24/59/57/782245957.db2.gz QDJPFLZVQFJFIH-IWIIMEHWSA-N 1 1 321.337 -1.233 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001115250243 782246543 /nfs/dbraw/zinc/24/65/43/782246543.db2.gz SOCJCUDAMJCHGJ-UXCLJVHYSA-N 1 1 321.399 -2.411 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001114422230 782246789 /nfs/dbraw/zinc/24/67/89/782246789.db2.gz XIBNKVVWUSGZGF-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398182 782245344 /nfs/dbraw/zinc/24/53/44/782245344.db2.gz BABCYUQQNUGZPT-MEWQQHAOSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398182 782245348 /nfs/dbraw/zinc/24/53/48/782245348.db2.gz BABCYUQQNUGZPT-MEWQQHAOSA-N 1 1 306.370 -1.022 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001114405650 782245366 /nfs/dbraw/zinc/24/53/66/782245366.db2.gz XOYGGFUIJRJYSY-CZXHOFHRSA-N 1 1 320.397 -1.655 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001114397275 782245536 /nfs/dbraw/zinc/24/55/36/782245536.db2.gz KDUWQHKEGXVYDY-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001114397275 782245543 /nfs/dbraw/zinc/24/55/43/782245543.db2.gz KDUWQHKEGXVYDY-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001115249693 782245560 /nfs/dbraw/zinc/24/55/60/782245560.db2.gz KJXIDIBJWGIIHV-SVDPJWKOSA-N 1 1 305.400 -1.383 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115249375 782245663 /nfs/dbraw/zinc/24/56/63/782245663.db2.gz BWFYVROGWULBHX-VROVMSAKSA-N 1 1 304.372 -2.672 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114445778 782249156 /nfs/dbraw/zinc/24/91/56/782249156.db2.gz XOAIWTDYQPINDX-DIACKHNESA-N 1 1 311.382 -1.291 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001114433013 782248419 /nfs/dbraw/zinc/24/84/19/782248419.db2.gz GMCWZJXBBIXHLW-REIXXSIJSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001114433013 782248424 /nfs/dbraw/zinc/24/84/24/782248424.db2.gz GMCWZJXBBIXHLW-REIXXSIJSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114445573 782249456 /nfs/dbraw/zinc/24/94/56/782249456.db2.gz SZOHDTVXONLWBZ-KZWBYHQPSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114445573 782249463 /nfs/dbraw/zinc/24/94/63/782249463.db2.gz SZOHDTVXONLWBZ-KZWBYHQPSA-N 1 1 321.381 -1.143 20 0 DAADMO Cn1ncc(C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)c1N ZINC001273973179 782250101 /nfs/dbraw/zinc/25/01/01/782250101.db2.gz GNETZQQZOVVERQ-ARJAWSKDSA-N 1 1 320.357 -1.500 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114453927 782250662 /nfs/dbraw/zinc/25/06/62/782250662.db2.gz SRHDSOWFULTUIT-JYAVWHMHSA-N 1 1 321.381 -1.271 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114453927 782250673 /nfs/dbraw/zinc/25/06/73/782250673.db2.gz SRHDSOWFULTUIT-JYAVWHMHSA-N 1 1 321.381 -1.271 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946658 782254695 /nfs/dbraw/zinc/25/46/95/782254695.db2.gz JMGHLKOZBITQAM-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000871972483 782252525 /nfs/dbraw/zinc/25/25/25/782252525.db2.gz IJEDEADDXFSMRU-LLVKDONJSA-N 1 1 309.432 -1.068 20 0 DAADMO CCn1ncc(C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001273997110 782257516 /nfs/dbraw/zinc/25/75/16/782257516.db2.gz KNTWZMNGLQKLBY-SNAWJCMRSA-N 1 1 320.357 -1.204 20 0 DAADMO CCn1ncc(C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001273997109 782258273 /nfs/dbraw/zinc/25/82/73/782258273.db2.gz KNTWZMNGLQKLBY-PLNGDYQASA-N 1 1 320.357 -1.204 20 0 DAADMO COc1cncc(C[NH2+]C/C=C\CNC(=O)Cn2ncnn2)n1 ZINC001274028020 782259396 /nfs/dbraw/zinc/25/93/96/782259396.db2.gz ZDMDIARHNLLKKX-IHWYPQMZSA-N 1 1 318.341 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095331351 782256259 /nfs/dbraw/zinc/25/62/59/782256259.db2.gz MWEKEPVLOKXZIR-NDBYEHHHSA-N 1 1 310.398 -1.086 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095331351 782256265 /nfs/dbraw/zinc/25/62/65/782256265.db2.gz MWEKEPVLOKXZIR-NDBYEHHHSA-N 1 1 310.398 -1.086 20 0 DAADMO CNC(=O)NCCC(=O)NC/C=C\C[NH2+]Cc1cn(C)nn1 ZINC001273999588 782257132 /nfs/dbraw/zinc/25/71/32/782257132.db2.gz XYMJGBJZXBTKIF-ARJAWSKDSA-N 1 1 309.374 -1.104 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274060716 782263043 /nfs/dbraw/zinc/26/30/43/782263043.db2.gz AOPHJIKLNCPNCP-ZUZCIYMTSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001274062441 782261668 /nfs/dbraw/zinc/26/16/68/782261668.db2.gz QDHMNOUVWOCKTF-HNNXBMFYSA-N 1 1 310.398 -1.272 20 0 DAADMO CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062396 782261909 /nfs/dbraw/zinc/26/19/09/782261909.db2.gz XGCXKGFAYITUPX-HNNXBMFYSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061584 782263598 /nfs/dbraw/zinc/26/35/98/782263598.db2.gz FFUAHKDLYKUWNG-LKFCYVNXSA-N 1 1 310.354 -1.423 20 0 DAADMO NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001274061685 782264226 /nfs/dbraw/zinc/26/42/26/782264226.db2.gz LJNWBTRDMCLFTI-MNOVXSKESA-N 1 1 308.382 -1.031 20 0 DAADMO CN(CC[NH2+]CC=CCNC(=O)c1cnn[nH]1)S(C)(=O)=O ZINC001274161812 782267970 /nfs/dbraw/zinc/26/79/70/782267970.db2.gz JQGUUGYTBNOBIL-ARJAWSKDSA-N 1 1 316.387 -1.428 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(=O)n(C)c1=O ZINC001274197924 782268975 /nfs/dbraw/zinc/26/89/75/782268975.db2.gz QRBSUQDDOCIETF-OAHLLOKOSA-N 1 1 322.365 -1.483 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110858767 782269375 /nfs/dbraw/zinc/26/93/75/782269375.db2.gz PXXZEQBJFGKTOO-MXWKQRLJSA-N 1 1 320.415 -1.856 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(=O)n(C)c1=O ZINC001274197920 782269485 /nfs/dbraw/zinc/26/94/85/782269485.db2.gz QRBSUQDDOCIETF-HNNXBMFYSA-N 1 1 322.365 -1.483 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1cnn[nH]1)N1CCNC(=O)C1 ZINC001274161379 782267204 /nfs/dbraw/zinc/26/72/04/782267204.db2.gz HLPCUJQRYFBCFN-UPHRSURJSA-N 1 1 321.341 -2.361 20 0 DAADMO Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001274359962 782276349 /nfs/dbraw/zinc/27/63/49/782276349.db2.gz ISYCFTKKPAJDRY-ZZVHHRJTSA-N 1 1 322.369 -1.390 20 0 DAADMO CC[N@@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469081 782270230 /nfs/dbraw/zinc/27/02/30/782270230.db2.gz KZTJOMHRYIWMRE-GHMZBOCLSA-N 1 1 324.447 -1.098 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2C[C@@H](CC(N)=O)O[C@H]2C1 ZINC001274233684 782270264 /nfs/dbraw/zinc/27/02/64/782270264.db2.gz RZDIPFBPGOSOPK-XQHKEYJVSA-N 1 1 310.398 -1.277 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2C[C@@H](CC(N)=O)O[C@H]2C1 ZINC001274233683 782270550 /nfs/dbraw/zinc/27/05/50/782270550.db2.gz RZDIPFBPGOSOPK-VOAKCMCISA-N 1 1 310.398 -1.277 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCOC[C@H]2C(N)=O ZINC001274233947 782270835 /nfs/dbraw/zinc/27/08/35/782270835.db2.gz USZMHBJQTHRPLG-NWDGAFQWSA-N 1 1 310.398 -1.417 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCCO[C@H]2[C@@H](C(N)=O)C1 ZINC001274232307 782271005 /nfs/dbraw/zinc/27/10/05/782271005.db2.gz CIGJSEDZOVDPFP-ZOBORPQBSA-N 1 1 324.425 -1.029 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1Cc2ccnn2CC[C@H]1C(N)=O ZINC001274233487 782271175 /nfs/dbraw/zinc/27/11/75/782271175.db2.gz PSFLQENKVMWGJJ-STQMWFEESA-N 1 1 320.397 -1.285 20 0 DAADMO C[C@H]([NH2+]C/C=C/CNC(=O)c1nnn(C)n1)c1nncn1C ZINC001274274355 782273109 /nfs/dbraw/zinc/27/31/09/782273109.db2.gz LEFHYVXMOYBCMV-MOVJSRMASA-N 1 1 305.346 -1.025 20 0 DAADMO C[C@@H]([NH2+]C/C=C/CNC(=O)c1nnn(C)n1)c1nncn1C ZINC001274274358 782273153 /nfs/dbraw/zinc/27/31/53/782273153.db2.gz LEFHYVXMOYBCMV-XNPJLODASA-N 1 1 305.346 -1.025 20 0 DAADMO Cn1ccnc1C[NH2+]CC=CCNC(=O)CN1C(=O)CNC1=O ZINC001274558677 782282043 /nfs/dbraw/zinc/28/20/43/782282043.db2.gz CRHHTUZFZHWZBH-NSCUHMNNSA-N 1 1 320.353 -1.266 20 0 DAADMO CN1C[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)OCC1=O ZINC001274541345 782282177 /nfs/dbraw/zinc/28/21/77/782282177.db2.gz NMNFKEXZQGPRQK-ZFWWWQNUSA-N 1 1 313.398 -1.387 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)CO ZINC001274566145 782283660 /nfs/dbraw/zinc/28/36/60/782283660.db2.gz WNCQYOBNDKCXDN-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO CCOCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274566219 782283691 /nfs/dbraw/zinc/28/36/91/782283691.db2.gz MSGPLIDSRFMVTI-ZFWWWQNUSA-N 1 1 316.398 -1.073 20 0 DAADMO Cn1cncc1CN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274569802 782284772 /nfs/dbraw/zinc/28/47/72/782284772.db2.gz NEUKEUBDDPKCQG-ZFWWWQNUSA-N 1 1 324.381 -1.423 20 0 DAADMO O=C1CC[C@H](CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)N1 ZINC001274569742 782285461 /nfs/dbraw/zinc/28/54/61/782285461.db2.gz LIJBZJGOKXUESD-YVECIDJPSA-N 1 1 311.382 -1.317 20 0 DAADMO CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274569562 782285624 /nfs/dbraw/zinc/28/56/24/782285624.db2.gz FWPDJEYJUKQAHK-WFASDCNBSA-N 1 1 313.398 -1.258 20 0 DAADMO CNC(=O)C(C)(C)N1CC[C@@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274569788 782285666 /nfs/dbraw/zinc/28/56/66/782285666.db2.gz MOAASSFWMXWBAO-NHYWBVRUSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)C(C)(C)N1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274570152 782285865 /nfs/dbraw/zinc/28/58/65/782285865.db2.gz XBQXPHFZILLXSU-XHDPSFHLSA-N 1 1 313.398 -1.211 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001274474521 782279031 /nfs/dbraw/zinc/27/90/31/782279031.db2.gz QGEJOFGNRBOGFN-NSHDSACASA-N 1 1 300.359 -2.693 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)O1 ZINC001274699120 782290678 /nfs/dbraw/zinc/29/06/78/782290678.db2.gz YISZKGNVQWHQFE-NWDGAFQWSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)O1 ZINC001274699120 782290685 /nfs/dbraw/zinc/29/06/85/782290685.db2.gz YISZKGNVQWHQFE-NWDGAFQWSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274696825 782290791 /nfs/dbraw/zinc/29/07/91/782290791.db2.gz DQRZLPMAASZTLP-CMPLNLGQSA-N 1 1 321.381 -1.119 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274696825 782290799 /nfs/dbraw/zinc/29/07/99/782290799.db2.gz DQRZLPMAASZTLP-CMPLNLGQSA-N 1 1 321.381 -1.119 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001274698686 782291001 /nfs/dbraw/zinc/29/10/01/782291001.db2.gz VCHIVUAPICASMZ-JQRITLKVSA-N 1 1 323.393 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001274698686 782291008 /nfs/dbraw/zinc/29/10/08/782291008.db2.gz VCHIVUAPICASMZ-JQRITLKVSA-N 1 1 323.393 -1.146 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274696826 782291219 /nfs/dbraw/zinc/29/12/19/782291219.db2.gz DQRZLPMAASZTLP-JQWIXIFHSA-N 1 1 321.381 -1.119 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274696826 782291223 /nfs/dbraw/zinc/29/12/23/782291223.db2.gz DQRZLPMAASZTLP-JQWIXIFHSA-N 1 1 321.381 -1.119 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)O1 ZINC001274699124 782291261 /nfs/dbraw/zinc/29/12/61/782291261.db2.gz YISZKGNVQWHQFE-VXGBXAGGSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)O1 ZINC001274699124 782291268 /nfs/dbraw/zinc/29/12/68/782291268.db2.gz YISZKGNVQWHQFE-VXGBXAGGSA-N 1 1 311.382 -1.099 20 0 DAADMO NC(=O)[C@@H]1CCn2nccc2CN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274698400 782291301 /nfs/dbraw/zinc/29/13/01/782291301.db2.gz SVNCLNCYYFOXCZ-NEPJUHHUSA-N 1 1 307.354 -1.464 20 0 DAADMO NC(=O)[C@@H]1CCn2nccc2CN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274698400 782291306 /nfs/dbraw/zinc/29/13/06/782291306.db2.gz SVNCLNCYYFOXCZ-NEPJUHHUSA-N 1 1 307.354 -1.464 20 0 DAADMO C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275043675 782301335 /nfs/dbraw/zinc/30/13/35/782301335.db2.gz GJPIRCMVSXMUAE-AISVGPCPSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275043675 782301340 /nfs/dbraw/zinc/30/13/40/782301340.db2.gz GJPIRCMVSXMUAE-AISVGPCPSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@@H+]1C[C@@H]2OCCN(C(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 ZINC001275045037 782301832 /nfs/dbraw/zinc/30/18/32/782301832.db2.gz RGTWSHIBSSHRFZ-RYUDHWBXSA-N 1 1 305.338 -1.219 20 0 DAADMO C[N@H+]1C[C@@H]2OCCN(C(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 ZINC001275045037 782301841 /nfs/dbraw/zinc/30/18/41/782301841.db2.gz RGTWSHIBSSHRFZ-RYUDHWBXSA-N 1 1 305.338 -1.219 20 0 DAADMO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275079534 782302718 /nfs/dbraw/zinc/30/27/18/782302718.db2.gz OLTOJIXDNVEQAM-GUDJTOLZSA-N 1 1 316.354 -2.519 20 0 DAADMO CC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001275079180 782302942 /nfs/dbraw/zinc/30/29/42/782302942.db2.gz ISAYNQDNDUJPIJ-GUDJTOLZSA-N 1 1 316.354 -2.661 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001275186735 782303730 /nfs/dbraw/zinc/30/37/30/782303730.db2.gz LXMJQUSIYOCWDS-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001275186735 782303732 /nfs/dbraw/zinc/30/37/32/782303732.db2.gz LXMJQUSIYOCWDS-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]21 ZINC001275186737 782303856 /nfs/dbraw/zinc/30/38/56/782303856.db2.gz LXMJQUSIYOCWDS-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]21 ZINC001275186737 782303865 /nfs/dbraw/zinc/30/38/65/782303865.db2.gz LXMJQUSIYOCWDS-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275185945 782304325 /nfs/dbraw/zinc/30/43/25/782304325.db2.gz FTBRJEYYBKCXQP-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275185945 782304333 /nfs/dbraw/zinc/30/43/33/782304333.db2.gz FTBRJEYYBKCXQP-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001275368809 782307938 /nfs/dbraw/zinc/30/79/38/782307938.db2.gz CLIPCHGMLYZUPI-QMMMGPOBSA-N 1 1 308.342 -1.538 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001275565339 782314037 /nfs/dbraw/zinc/31/40/37/782314037.db2.gz GWYHDMAKNHWIJA-UWVGGRQHSA-N 1 1 312.370 -1.294 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001275565339 782314044 /nfs/dbraw/zinc/31/40/44/782314044.db2.gz GWYHDMAKNHWIJA-UWVGGRQHSA-N 1 1 312.370 -1.294 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275433148 782310524 /nfs/dbraw/zinc/31/05/24/782310524.db2.gz IQPOZIVDSBPESQ-RKDXNWHRSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)c1cnn(C)n1 ZINC001275680257 782314232 /nfs/dbraw/zinc/31/42/32/782314232.db2.gz KVAIZAVKLQTJHV-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001280723178 782312397 /nfs/dbraw/zinc/31/23/97/782312397.db2.gz OQRQJTMVPZHGQU-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275541873 782312868 /nfs/dbraw/zinc/31/28/68/782312868.db2.gz QWNSAOORUHHKRZ-BDAKNGLRSA-N 1 1 324.341 -1.054 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001280723180 782313341 /nfs/dbraw/zinc/31/33/41/782313341.db2.gz OQRQJTMVPZHGQU-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275774634 782318213 /nfs/dbraw/zinc/31/82/13/782318213.db2.gz SDMPDAHVWGFLMK-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)c1cnn(C)n1 ZINC001275680255 782314451 /nfs/dbraw/zinc/31/44/51/782314451.db2.gz KVAIZAVKLQTJHV-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)C[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275615901 782315628 /nfs/dbraw/zinc/31/56/28/782315628.db2.gz UCSVLOHFRJUQSW-MRVPVSSYSA-N 1 1 323.357 -1.285 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699797 782316955 /nfs/dbraw/zinc/31/69/55/782316955.db2.gz ZTQKMQSBSKWIAW-BDAKNGLRSA-N 1 1 313.358 -1.809 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699797 782316961 /nfs/dbraw/zinc/31/69/61/782316961.db2.gz ZTQKMQSBSKWIAW-BDAKNGLRSA-N 1 1 313.358 -1.809 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001275828108 782319266 /nfs/dbraw/zinc/31/92/66/782319266.db2.gz SJANWIYWGSMSEQ-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828108 782319284 /nfs/dbraw/zinc/31/92/84/782319284.db2.gz SJANWIYWGSMSEQ-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828108 782319293 /nfs/dbraw/zinc/31/92/93/782319293.db2.gz SJANWIYWGSMSEQ-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCN1CCNC1=O ZINC001275897582 782321200 /nfs/dbraw/zinc/32/12/00/782321200.db2.gz QJTJZOKPKXZUNK-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCN1CCNC1=O ZINC001275897580 782321444 /nfs/dbraw/zinc/32/14/44/782321444.db2.gz QJTJZOKPKXZUNK-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001275928002 782322896 /nfs/dbraw/zinc/32/28/96/782322896.db2.gz BZNBJWNTNQSJKA-AMIZOPFISA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001275928002 782322899 /nfs/dbraw/zinc/32/28/99/782322899.db2.gz BZNBJWNTNQSJKA-AMIZOPFISA-N 1 1 313.358 -1.856 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001275970211 782326057 /nfs/dbraw/zinc/32/60/57/782326057.db2.gz LGHXXWOSTRPFNM-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)CCOCCO ZINC001276013713 782327308 /nfs/dbraw/zinc/32/73/08/782327308.db2.gz YZXLFLQVEHECJR-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001276020789 782328068 /nfs/dbraw/zinc/32/80/68/782328068.db2.gz DSHLXFZEBYDHRA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001276020789 782328075 /nfs/dbraw/zinc/32/80/75/782328075.db2.gz DSHLXFZEBYDHRA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276021267 782328124 /nfs/dbraw/zinc/32/81/24/782328124.db2.gz MFKVJVRRWVVZBU-UWVGGRQHSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276021267 782328127 /nfs/dbraw/zinc/32/81/27/782328127.db2.gz MFKVJVRRWVVZBU-UWVGGRQHSA-N 1 1 312.370 -1.388 20 0 DAADMO COCCC[NH+]1CC(CCO)(NC(=O)CNC(=O)OC)C1 ZINC001276027510 782328467 /nfs/dbraw/zinc/32/84/67/782328467.db2.gz FDOODCGCCNCASS-UHFFFAOYSA-N 1 1 303.359 -1.068 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095421305 782329125 /nfs/dbraw/zinc/32/91/25/782329125.db2.gz VIOUZJFLBQGQIG-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095421305 782329135 /nfs/dbraw/zinc/32/91/35/782329135.db2.gz VIOUZJFLBQGQIG-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095420938 782329212 /nfs/dbraw/zinc/32/92/12/782329212.db2.gz CTWRXFWFYJKZJE-USZNOCQGSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095420938 782329218 /nfs/dbraw/zinc/32/92/18/782329218.db2.gz CTWRXFWFYJKZJE-USZNOCQGSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[N@H+](C)C[C@H](C)O ZINC001275992876 782325869 /nfs/dbraw/zinc/32/58/69/782325869.db2.gz CVKQKFHCEKRREL-ZJUUUORDSA-N 1 1 300.359 -1.302 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001275982911 782325908 /nfs/dbraw/zinc/32/59/08/782325908.db2.gz QYYYZYOHMHOREX-LLVKDONJSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)C(=O)CC(N)=O ZINC001280793206 782334115 /nfs/dbraw/zinc/33/41/15/782334115.db2.gz IEKLWFWPFNOMEU-QMMMGPOBSA-N 1 1 301.347 -1.775 20 0 DAADMO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1=NC(=O)N(C)C1 ZINC001276209458 782334204 /nfs/dbraw/zinc/33/42/04/782334204.db2.gz WAHQYTXDMCPLNR-VIFPVBQESA-N 1 1 323.353 -1.017 20 0 DAADMO Cc1nnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001276253271 782334282 /nfs/dbraw/zinc/33/42/82/782334282.db2.gz QEPSEYGTIFOBNO-VIFPVBQESA-N 1 1 324.341 -1.086 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1=O ZINC001095647423 782335848 /nfs/dbraw/zinc/33/58/48/782335848.db2.gz SMVMHUKJYDQWQH-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539784 782336158 /nfs/dbraw/zinc/33/61/58/782336158.db2.gz IPAKQHWGHMOETG-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539784 782336166 /nfs/dbraw/zinc/33/61/66/782336166.db2.gz IPAKQHWGHMOETG-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001110893495 782337325 /nfs/dbraw/zinc/33/73/25/782337325.db2.gz KPCIHMQZEPWUSX-KXNHARMFSA-N 1 1 308.382 -1.020 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001110893495 782337334 /nfs/dbraw/zinc/33/73/34/782337334.db2.gz KPCIHMQZEPWUSX-KXNHARMFSA-N 1 1 308.382 -1.020 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001110971823 782339770 /nfs/dbraw/zinc/33/97/70/782339770.db2.gz PWCAODQLIBFMDB-UTUOFQBUSA-N 1 1 311.382 -1.018 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962992 782339799 /nfs/dbraw/zinc/33/97/99/782339799.db2.gz JBGXUNAYURLDSJ-KXNHARMFSA-N 1 1 315.370 -1.783 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CNC(=O)N1 ZINC001110957848 782340104 /nfs/dbraw/zinc/34/01/04/782340104.db2.gz DRXGYDDJHQJRQL-WYUUTHIRSA-N 1 1 312.370 -1.602 20 0 DAADMO CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110963055 782340310 /nfs/dbraw/zinc/34/03/10/782340310.db2.gz LVNURXYYYPYUFN-UTUOFQBUSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095681127 782337937 /nfs/dbraw/zinc/33/79/37/782337937.db2.gz KNHQSJSKVVTVJR-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095681127 782337946 /nfs/dbraw/zinc/33/79/46/782337946.db2.gz KNHQSJSKVVTVJR-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001111295172 782353509 /nfs/dbraw/zinc/35/35/09/782353509.db2.gz FDKCWJAMZJNVKM-SJHCENCUSA-N 1 1 311.382 -1.006 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374249 782355581 /nfs/dbraw/zinc/35/55/81/782355581.db2.gz FWYGREDIPKIRSM-MXWKQRLJSA-N 1 1 311.386 -1.098 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374249 782355594 /nfs/dbraw/zinc/35/55/94/782355594.db2.gz FWYGREDIPKIRSM-MXWKQRLJSA-N 1 1 311.386 -1.098 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111204624 782351518 /nfs/dbraw/zinc/35/15/18/782351518.db2.gz WJKZISDMKKELQL-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181610 782351804 /nfs/dbraw/zinc/35/18/04/782351804.db2.gz FXPKDPGLDMGUAQ-XQHKEYJVSA-N 1 1 324.385 -1.208 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001111181698 782351886 /nfs/dbraw/zinc/35/18/86/782351886.db2.gz IWFUMZXSESQROL-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001111181698 782351893 /nfs/dbraw/zinc/35/18/93/782351893.db2.gz IWFUMZXSESQROL-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO Cc1cc(NCCN(CCO)C(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001111413745 782358355 /nfs/dbraw/zinc/35/83/55/782358355.db2.gz GHZMAAVRNRPZDB-UHFFFAOYSA-N 1 1 310.358 -1.005 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114506820 782358752 /nfs/dbraw/zinc/35/87/52/782358752.db2.gz BNFNKEQNYFWXEF-JAKMQLQISA-N 1 1 304.297 -1.712 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865518 782356689 /nfs/dbraw/zinc/35/66/89/782356689.db2.gz FWBDKDCLHPJFGX-WOPDTQHZSA-N 1 1 323.397 -2.114 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865518 782356693 /nfs/dbraw/zinc/35/66/93/782356693.db2.gz FWBDKDCLHPJFGX-WOPDTQHZSA-N 1 1 323.397 -2.114 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095866626 782356719 /nfs/dbraw/zinc/35/67/19/782356719.db2.gz IYYPHBPQIVIQMP-WYUUTHIRSA-N 1 1 308.382 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001095866626 782356729 /nfs/dbraw/zinc/35/67/29/782356729.db2.gz IYYPHBPQIVIQMP-WYUUTHIRSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865837 782356979 /nfs/dbraw/zinc/35/69/79/782356979.db2.gz UKVDLVDVCZBLDF-NDBYEHHHSA-N 1 1 310.398 -1.480 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001111414430 782357289 /nfs/dbraw/zinc/35/72/89/782357289.db2.gz MIRDMGFNMPGQMM-DBIOUOCHSA-N 1 1 305.400 -1.362 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114523668 782362109 /nfs/dbraw/zinc/36/21/09/782362109.db2.gz GPYSQXVEPGKWEP-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114523668 782362116 /nfs/dbraw/zinc/36/21/16/782362116.db2.gz GPYSQXVEPGKWEP-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001114971882 782363036 /nfs/dbraw/zinc/36/30/36/782363036.db2.gz BCRQLRZDUVBIOL-NNYUYHANSA-N 1 1 311.382 -1.434 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114507411 782359580 /nfs/dbraw/zinc/35/95/80/782359580.db2.gz MRBKFSOAZDQUIJ-JZYVYDRUSA-N 1 1 321.324 -1.577 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507120 782360089 /nfs/dbraw/zinc/36/00/89/782360089.db2.gz JCUGRVQUGUAVJX-VROVMSAKSA-N 1 1 318.324 -1.450 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507120 782360099 /nfs/dbraw/zinc/36/00/99/782360099.db2.gz JCUGRVQUGUAVJX-VROVMSAKSA-N 1 1 318.324 -1.450 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114671067 782367453 /nfs/dbraw/zinc/36/74/53/782367453.db2.gz BTVACKMOIFMWJX-KLBPJQLPSA-N 1 1 309.370 -1.808 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114671067 782367461 /nfs/dbraw/zinc/36/74/61/782367461.db2.gz BTVACKMOIFMWJX-KLBPJQLPSA-N 1 1 309.370 -1.808 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114619293 782363547 /nfs/dbraw/zinc/36/35/47/782363547.db2.gz UCZNXYHUWKHPIP-SVDPJWKOSA-N 1 1 322.369 -2.108 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114619293 782363552 /nfs/dbraw/zinc/36/35/52/782363552.db2.gz UCZNXYHUWKHPIP-SVDPJWKOSA-N 1 1 322.369 -2.108 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114618846 782363707 /nfs/dbraw/zinc/36/37/07/782363707.db2.gz LVSJMMDUUKSCDB-MEWQQHAOSA-N 1 1 309.370 -1.601 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CNC(=O)C1 ZINC001114603057 782363947 /nfs/dbraw/zinc/36/39/47/782363947.db2.gz VJVSTMABLCQVSU-MDHDOXDCSA-N 1 1 311.382 -1.432 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624313 782364518 /nfs/dbraw/zinc/36/45/18/782364518.db2.gz PGYQPRLRCUXBNL-VROVMSAKSA-N 1 1 319.387 -3.167 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624313 782364532 /nfs/dbraw/zinc/36/45/32/782364532.db2.gz PGYQPRLRCUXBNL-VROVMSAKSA-N 1 1 319.387 -3.167 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)NC1=O ZINC001114671829 782367899 /nfs/dbraw/zinc/36/78/99/782367899.db2.gz KKJKNOQGOLHALN-PYHGXSLLSA-N 1 1 324.341 -2.749 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)NC1=O ZINC001114671829 782367906 /nfs/dbraw/zinc/36/79/06/782367906.db2.gz KKJKNOQGOLHALN-PYHGXSLLSA-N 1 1 324.341 -2.749 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624107 782365040 /nfs/dbraw/zinc/36/50/40/782365040.db2.gz LNFCMQFQWNXFJK-IAZYJMLFSA-N 1 1 320.415 -1.877 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114639068 782365246 /nfs/dbraw/zinc/36/52/46/782365246.db2.gz QBFUTKMXSIKYFU-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114639068 782365254 /nfs/dbraw/zinc/36/52/54/782365254.db2.gz QBFUTKMXSIKYFU-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114652760 782365547 /nfs/dbraw/zinc/36/55/47/782365547.db2.gz SKLGEMGLECIKRE-SNXWAXQRSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114652760 782365553 /nfs/dbraw/zinc/36/55/53/782365553.db2.gz SKLGEMGLECIKRE-SNXWAXQRSA-N 1 1 320.353 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(COC)CCOC1 ZINC001114630384 782365578 /nfs/dbraw/zinc/36/55/78/782365578.db2.gz ZDRHREJTCFBLKL-REJLFOLJSA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(COC)CCOC1 ZINC001114630384 782365583 /nfs/dbraw/zinc/36/55/83/782365583.db2.gz ZDRHREJTCFBLKL-REJLFOLJSA-N 1 1 311.382 -1.168 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114641313 782365605 /nfs/dbraw/zinc/36/56/05/782365605.db2.gz ALFHZSOUSMESIC-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114641313 782365607 /nfs/dbraw/zinc/36/56/07/782365607.db2.gz ALFHZSOUSMESIC-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114652758 782365782 /nfs/dbraw/zinc/36/57/82/782365782.db2.gz SKLGEMGLECIKRE-CPOMMVLXSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114652758 782365789 /nfs/dbraw/zinc/36/57/89/782365789.db2.gz SKLGEMGLECIKRE-CPOMMVLXSA-N 1 1 320.353 -1.038 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114665948 782366730 /nfs/dbraw/zinc/36/67/30/782366730.db2.gz RGGFNVSMENOFSA-IAZYJMLFSA-N 1 1 310.354 -1.205 20 0 DAADMO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114663823 782366841 /nfs/dbraw/zinc/36/68/41/782366841.db2.gz XGNYALMPVNKAQE-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 ZINC001114954593 782369081 /nfs/dbraw/zinc/36/90/81/782369081.db2.gz SUUOAMTURXUPKE-IWIIMEHWSA-N 1 1 320.353 -1.416 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 ZINC001114954593 782369091 /nfs/dbraw/zinc/36/90/91/782369091.db2.gz SUUOAMTURXUPKE-IWIIMEHWSA-N 1 1 320.353 -1.416 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114677946 782369108 /nfs/dbraw/zinc/36/91/08/782369108.db2.gz HUSXKNLIFCYQRE-WUHRBBMRSA-N 1 1 311.382 -1.168 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693071 782369224 /nfs/dbraw/zinc/36/92/24/782369224.db2.gz ULPKTWSOQJZOKA-JZYVYDRUSA-N 1 1 307.358 -1.604 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693071 782369234 /nfs/dbraw/zinc/36/92/34/782369234.db2.gz ULPKTWSOQJZOKA-JZYVYDRUSA-N 1 1 307.358 -1.604 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114714144 782370574 /nfs/dbraw/zinc/37/05/74/782370574.db2.gz NTQNRBHPPHALKS-FWNNGTBFSA-N 1 1 322.365 -1.491 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114714144 782370582 /nfs/dbraw/zinc/37/05/82/782370582.db2.gz NTQNRBHPPHALKS-FWNNGTBFSA-N 1 1 322.365 -1.491 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738717 782370995 /nfs/dbraw/zinc/37/09/95/782370995.db2.gz JZCGBBMDXROBCZ-DNJQJEMRSA-N 1 1 308.338 -1.563 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114739737 782371136 /nfs/dbraw/zinc/37/11/36/782371136.db2.gz ULGQHGIJXLZJDM-YABSGUDNSA-N 1 1 307.354 -1.409 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114739737 782371139 /nfs/dbraw/zinc/37/11/39/782371139.db2.gz ULGQHGIJXLZJDM-YABSGUDNSA-N 1 1 307.354 -1.409 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001114726072 782371270 /nfs/dbraw/zinc/37/12/70/782371270.db2.gz GZAFHTFBFVTELI-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001114726072 782371279 /nfs/dbraw/zinc/37/12/79/782371279.db2.gz GZAFHTFBFVTELI-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114738242 782371596 /nfs/dbraw/zinc/37/15/96/782371596.db2.gz FBUWRANRSANISP-JYAVWHMHSA-N 1 1 321.381 -1.067 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746652 782371993 /nfs/dbraw/zinc/37/19/93/782371993.db2.gz WTGSMCNYFZJLEM-KLBPJQLPSA-N 1 1 323.397 -1.371 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746652 782371999 /nfs/dbraw/zinc/37/19/99/782371999.db2.gz WTGSMCNYFZJLEM-KLBPJQLPSA-N 1 1 323.397 -1.371 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741323 782371845 /nfs/dbraw/zinc/37/18/45/782371845.db2.gz MQEFSTQSQRKJBP-MVVXRAEJSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741323 782371852 /nfs/dbraw/zinc/37/18/52/782371852.db2.gz MQEFSTQSQRKJBP-MVVXRAEJSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114676518 782368170 /nfs/dbraw/zinc/36/81/70/782368170.db2.gz YPWIPDYYYPMTDB-LITAXDCLSA-N 1 1 311.342 -2.261 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114676518 782368179 /nfs/dbraw/zinc/36/81/79/782368179.db2.gz YPWIPDYYYPMTDB-LITAXDCLSA-N 1 1 311.342 -2.261 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693132 782368588 /nfs/dbraw/zinc/36/85/88/782368588.db2.gz VFXRIAVACNDIQV-SVDPJWKOSA-N 1 1 321.385 -1.215 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693132 782368595 /nfs/dbraw/zinc/36/85/95/782368595.db2.gz VFXRIAVACNDIQV-SVDPJWKOSA-N 1 1 321.385 -1.215 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692140 782368883 /nfs/dbraw/zinc/36/88/83/782368883.db2.gz BWJVINDXDCMCNV-IAZYJMLFSA-N 1 1 321.385 -1.358 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692140 782368890 /nfs/dbraw/zinc/36/88/90/782368890.db2.gz BWJVINDXDCMCNV-IAZYJMLFSA-N 1 1 321.385 -1.358 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001114757842 782374013 /nfs/dbraw/zinc/37/40/13/782374013.db2.gz RNXSIKLWTKBGTM-UXCLJVHYSA-N 1 1 310.354 -2.187 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001114757842 782374027 /nfs/dbraw/zinc/37/40/27/782374027.db2.gz RNXSIKLWTKBGTM-UXCLJVHYSA-N 1 1 310.354 -2.187 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC001114752650 782374057 /nfs/dbraw/zinc/37/40/57/782374057.db2.gz IYBFRVLKCBOSCG-XEZLXBQYSA-N 1 1 323.349 -1.311 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001114757858 782374672 /nfs/dbraw/zinc/37/46/72/782374672.db2.gz RSVCDWSPPJYMBM-PJXYFTJBSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@H](C(=O)NCc1ccco1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754549 782375365 /nfs/dbraw/zinc/37/53/65/782375365.db2.gz DFKKCSCWSZHXKQ-YJQGPUDQSA-N 1 1 320.349 -1.184 20 0 DAADMO C[C@H](C(=O)NCc1ccco1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754549 782375372 /nfs/dbraw/zinc/37/53/72/782375372.db2.gz DFKKCSCWSZHXKQ-YJQGPUDQSA-N 1 1 320.349 -1.184 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001114756915 782375420 /nfs/dbraw/zinc/37/54/20/782375420.db2.gz CDGYIZOJDHJUGC-PJXYFTJBSA-N 1 1 320.393 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763759 782376554 /nfs/dbraw/zinc/37/65/54/782376554.db2.gz IIXPVCKCZNJKTO-IAZYJMLFSA-N 1 1 308.382 -1.177 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763759 782376564 /nfs/dbraw/zinc/37/65/64/782376564.db2.gz IIXPVCKCZNJKTO-IAZYJMLFSA-N 1 1 308.382 -1.177 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC001114772780 782377131 /nfs/dbraw/zinc/37/71/31/782377131.db2.gz SLPLCDODTJTWQS-GDGBQDQQSA-N 1 1 307.354 -1.078 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC001114772780 782377143 /nfs/dbraw/zinc/37/71/43/782377143.db2.gz SLPLCDODTJTWQS-GDGBQDQQSA-N 1 1 307.354 -1.078 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745801 782372246 /nfs/dbraw/zinc/37/22/46/782372246.db2.gz GMNQWLYSHRAWOE-KLBPJQLPSA-N 1 1 309.370 -1.808 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746119 782372509 /nfs/dbraw/zinc/37/25/09/782372509.db2.gz LVHOSWOFPUDRDQ-KXNHARMFSA-N 1 1 312.370 -1.623 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746660 782372705 /nfs/dbraw/zinc/37/27/05/782372705.db2.gz WVUIGZURYZWICT-SRRSOLGSSA-N 1 1 323.397 -1.419 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001114747724 782372979 /nfs/dbraw/zinc/37/29/79/782372979.db2.gz GJGDBENZDBWLEO-KXNHARMFSA-N 1 1 321.381 -1.760 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001114752827 782373307 /nfs/dbraw/zinc/37/33/07/782373307.db2.gz LNTXJHAHYRIXKZ-UXCLJVHYSA-N 1 1 310.354 -2.329 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001114752827 782373329 /nfs/dbraw/zinc/37/33/29/782373329.db2.gz LNTXJHAHYRIXKZ-UXCLJVHYSA-N 1 1 310.354 -2.329 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752700 782373384 /nfs/dbraw/zinc/37/33/84/782373384.db2.gz JUTJVGANCVPFRM-MYJAWHEDSA-N 1 1 318.399 -2.200 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276333708 782381152 /nfs/dbraw/zinc/38/11/52/782381152.db2.gz JHGMCXQGSPIULP-WDEREUQCSA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276333708 782381168 /nfs/dbraw/zinc/38/11/68/782381168.db2.gz JHGMCXQGSPIULP-WDEREUQCSA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276333700 782381333 /nfs/dbraw/zinc/38/13/33/782381333.db2.gz JHGMCXQGSPIULP-MNOVXSKESA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276333700 782381343 /nfs/dbraw/zinc/38/13/43/782381343.db2.gz JHGMCXQGSPIULP-MNOVXSKESA-N 1 1 324.381 -1.115 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114977762 782382522 /nfs/dbraw/zinc/38/25/22/782382522.db2.gz HTNWFZLWKHHWGE-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114977762 782382534 /nfs/dbraw/zinc/38/25/34/782382534.db2.gz HTNWFZLWKHHWGE-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO C[C@H](NC(=O)CC(N)=O)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001276360021 782382762 /nfs/dbraw/zinc/38/27/62/782382762.db2.gz JWFWHUJCHLJNDQ-JTQLQIEISA-N 1 1 312.370 -1.843 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114809855 782378415 /nfs/dbraw/zinc/37/84/15/782378415.db2.gz HXCISXMOVINZRF-QCBRBAQYSA-N 1 1 314.342 -2.111 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114809855 782378425 /nfs/dbraw/zinc/37/84/25/782378425.db2.gz HXCISXMOVINZRF-QCBRBAQYSA-N 1 1 314.342 -2.111 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114809715 782378632 /nfs/dbraw/zinc/37/86/32/782378632.db2.gz FPSLYZKXUACZBR-QNWHQSFQSA-N 1 1 302.371 -1.297 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114888358 782386962 /nfs/dbraw/zinc/38/69/62/782386962.db2.gz FRQLKYKCMJNPJS-UKKRHICBSA-N 1 1 305.400 -1.383 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114895148 782387660 /nfs/dbraw/zinc/38/76/60/782387660.db2.gz RTVDAPCUOGGOFI-PJXYFTJBSA-N 1 1 316.427 -1.161 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114931945 782388659 /nfs/dbraw/zinc/38/86/59/782388659.db2.gz DKOUPPQBIXOVAG-SRRSOLGSSA-N 1 1 312.370 -1.941 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114883238 782386340 /nfs/dbraw/zinc/38/63/40/782386340.db2.gz UOGPNGZXYMASSB-SNXWAXQRSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114883238 782386349 /nfs/dbraw/zinc/38/63/49/782386349.db2.gz UOGPNGZXYMASSB-SNXWAXQRSA-N 1 1 318.337 -1.280 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001043163418 782398095 /nfs/dbraw/zinc/39/80/95/782398095.db2.gz QKVINGHJAZDMSO-LBPRGKRZSA-N 1 1 312.414 -1.062 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043415173 782398707 /nfs/dbraw/zinc/39/87/07/782398707.db2.gz PTOPXJMCZOEHQU-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001047627649 782407445 /nfs/dbraw/zinc/40/74/45/782407445.db2.gz SLSNKGSMOWCQDY-XBFCOCLRSA-N 1 1 322.413 -1.230 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001047627932 782406992 /nfs/dbraw/zinc/40/69/92/782406992.db2.gz AZJJHZCRCCMFHF-RYUDHWBXSA-N 1 1 310.354 -1.123 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001047627122 782407116 /nfs/dbraw/zinc/40/71/16/782407116.db2.gz KVJDDQYVTXHDTB-UBHSHLNASA-N 1 1 322.413 -1.230 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H]1CCNC1=O ZINC001096308657 782409783 /nfs/dbraw/zinc/40/97/83/782409783.db2.gz SETUHYHDCCNLKA-VPOLOUISSA-N 1 1 304.354 -1.043 20 0 DAADMO CN(C(=O)c1cncc(C(N)=O)c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047630980 782408188 /nfs/dbraw/zinc/40/81/88/782408188.db2.gz DZEYJBADIGWITP-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1cncc(C(N)=O)c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047630980 782408194 /nfs/dbraw/zinc/40/81/94/782408194.db2.gz DZEYJBADIGWITP-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001047630242 782408560 /nfs/dbraw/zinc/40/85/60/782408560.db2.gz NRVLRHHUJUYKRV-UWJYBYFXSA-N 1 1 310.354 -1.389 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001096489794 782412637 /nfs/dbraw/zinc/41/26/37/782412637.db2.gz HFMDIRNDDDFJNR-LSKIRQOJSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001096489794 782412644 /nfs/dbraw/zinc/41/26/44/782412644.db2.gz HFMDIRNDDDFJNR-LSKIRQOJSA-N 1 1 319.365 -1.011 20 0 DAADMO C[N@@H+]1CCCN(CCNS(=O)(=O)CS(C)(=O)=O)CC1 ZINC001260593927 782412689 /nfs/dbraw/zinc/41/26/89/782412689.db2.gz DTSPBEAMQNVNAO-UHFFFAOYSA-N 1 1 313.445 -1.455 20 0 DAADMO C[N@H+]1CCCN(CCNS(=O)(=O)CS(C)(=O)=O)CC1 ZINC001260593927 782412708 /nfs/dbraw/zinc/41/27/08/782412708.db2.gz DTSPBEAMQNVNAO-UHFFFAOYSA-N 1 1 313.445 -1.455 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622988 782413605 /nfs/dbraw/zinc/41/36/05/782413605.db2.gz YQJMQWATSHHTBO-VLEAKVRGSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622988 782413609 /nfs/dbraw/zinc/41/36/09/782413609.db2.gz YQJMQWATSHHTBO-VLEAKVRGSA-N 1 1 321.381 -1.067 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CCS(=O)(=O)N1 ZINC001096566268 782414117 /nfs/dbraw/zinc/41/41/17/782414117.db2.gz WFDYIRGPVOIXFL-RHYQMDGZSA-N 1 1 317.411 -1.218 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)[C@H]1CCS(=O)(=O)N1 ZINC001096565826 782414811 /nfs/dbraw/zinc/41/48/11/782414811.db2.gz OOJVBHMBQAOZKD-ZNSHCXBVSA-N 1 1 303.384 -1.608 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502166 782414822 /nfs/dbraw/zinc/41/48/22/782414822.db2.gz QLWWKCDBRUROFZ-IMSYWVGJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502166 782414825 /nfs/dbraw/zinc/41/48/25/782414825.db2.gz QLWWKCDBRUROFZ-IMSYWVGJSA-N 1 1 323.353 -1.867 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096506370 782414926 /nfs/dbraw/zinc/41/49/26/782414926.db2.gz KXGVFFRJCNRALC-UTLUCORTSA-N 1 1 305.338 -1.097 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001096782073 782416171 /nfs/dbraw/zinc/41/61/71/782416171.db2.gz OFEILRVOPGSAQJ-WYUUTHIRSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001096782073 782416175 /nfs/dbraw/zinc/41/61/75/782416175.db2.gz OFEILRVOPGSAQJ-WYUUTHIRSA-N 1 1 319.369 -1.375 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981755 782418204 /nfs/dbraw/zinc/41/82/04/782418204.db2.gz AKZAJCZGSCUWHD-DBIOUOCHSA-N 1 1 322.369 -1.160 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981755 782418207 /nfs/dbraw/zinc/41/82/07/782418207.db2.gz AKZAJCZGSCUWHD-DBIOUOCHSA-N 1 1 322.369 -1.160 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001097147409 782419120 /nfs/dbraw/zinc/41/91/20/782419120.db2.gz YIPRJZQVHFDKKP-WYUUTHIRSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001097147409 782419122 /nfs/dbraw/zinc/41/91/22/782419122.db2.gz YIPRJZQVHFDKKP-WYUUTHIRSA-N 1 1 304.354 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081614 782419289 /nfs/dbraw/zinc/41/92/89/782419289.db2.gz JTVSPCGJAWUOBN-DBIOUOCHSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081614 782419294 /nfs/dbraw/zinc/41/92/94/782419294.db2.gz JTVSPCGJAWUOBN-DBIOUOCHSA-N 1 1 307.358 -1.471 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)n1 ZINC001097106366 782419656 /nfs/dbraw/zinc/41/96/56/782419656.db2.gz SLBPIMTYCSZKMP-BBBLOLIVSA-N 1 1 308.342 -1.909 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001097081467 782420052 /nfs/dbraw/zinc/42/00/52/782420052.db2.gz CIPQLPMDYORBTJ-CHWFTXMASA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001097081467 782420055 /nfs/dbraw/zinc/42/00/55/782420055.db2.gz CIPQLPMDYORBTJ-CHWFTXMASA-N 1 1 305.342 -1.717 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001098511964 782421384 /nfs/dbraw/zinc/42/13/84/782421384.db2.gz ONIMNEJZELMMCK-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001097263769 782421452 /nfs/dbraw/zinc/42/14/52/782421452.db2.gz ATQDGPBEWKXOFW-KXNHARMFSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001097263769 782421456 /nfs/dbraw/zinc/42/14/56/782421456.db2.gz ATQDGPBEWKXOFW-KXNHARMFSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001097249637 782421556 /nfs/dbraw/zinc/42/15/56/782421556.db2.gz KFHBSIHYPONKLL-XNDJQWLSSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001097249637 782421565 /nfs/dbraw/zinc/42/15/65/782421565.db2.gz KFHBSIHYPONKLL-XNDJQWLSSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232193 782422226 /nfs/dbraw/zinc/42/22/26/782422226.db2.gz IPAKQHWGHMOETG-KKOKHZNYSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232193 782422234 /nfs/dbraw/zinc/42/22/34/782422234.db2.gz IPAKQHWGHMOETG-KKOKHZNYSA-N 1 1 324.381 -1.560 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097638599 782424013 /nfs/dbraw/zinc/42/40/13/782424013.db2.gz FWBDKDCLHPJFGX-UTUOFQBUSA-N 1 1 323.397 -2.114 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097638599 782424014 /nfs/dbraw/zinc/42/40/14/782424014.db2.gz FWBDKDCLHPJFGX-UTUOFQBUSA-N 1 1 323.397 -2.114 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001097642424 782424209 /nfs/dbraw/zinc/42/42/09/782424209.db2.gz DIVMKKIFJFEFED-UPJWGTAASA-N 1 1 310.398 -1.478 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001097764594 782427695 /nfs/dbraw/zinc/42/76/95/782427695.db2.gz MJOXUGPOFUXVMT-KKOKHZNYSA-N 1 1 324.381 -1.824 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001097764594 782427699 /nfs/dbraw/zinc/42/76/99/782427699.db2.gz MJOXUGPOFUXVMT-KKOKHZNYSA-N 1 1 324.381 -1.824 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001097942905 782430167 /nfs/dbraw/zinc/43/01/67/782430167.db2.gz MUYFPLIDMSLFKQ-ZNSHCXBVSA-N 1 1 310.354 -1.048 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001098031015 782432318 /nfs/dbraw/zinc/43/23/18/782432318.db2.gz RCGNVFPPIXVCCK-IANFPDNMSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001098031015 782432322 /nfs/dbraw/zinc/43/23/22/782432322.db2.gz RCGNVFPPIXVCCK-IANFPDNMSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098344110 782438832 /nfs/dbraw/zinc/43/88/32/782438832.db2.gz YVPWIPWBXLZNSM-DBIOUOCHSA-N 1 1 310.354 -1.360 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905748 782435490 /nfs/dbraw/zinc/43/54/90/782435490.db2.gz NLICHMMYMWLEFW-FRRDWIJNSA-N 1 1 308.386 -1.030 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069905538 782435571 /nfs/dbraw/zinc/43/55/71/782435571.db2.gz CGGPFVBAENPJLQ-AGIUHOORSA-N 1 1 324.385 -2.058 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069905538 782435573 /nfs/dbraw/zinc/43/55/73/782435573.db2.gz CGGPFVBAENPJLQ-AGIUHOORSA-N 1 1 324.385 -2.058 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069911873 782436704 /nfs/dbraw/zinc/43/67/04/782436704.db2.gz BIYMBAQGBASCIN-AGIUHOORSA-N 1 1 308.386 -1.030 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069910343 782437159 /nfs/dbraw/zinc/43/71/59/782437159.db2.gz PYIQYIRKTHNDHN-UTUOFQBUSA-N 1 1 323.353 -1.435 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069910343 782437166 /nfs/dbraw/zinc/43/71/66/782437166.db2.gz PYIQYIRKTHNDHN-UTUOFQBUSA-N 1 1 323.353 -1.435 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1=O ZINC001098209186 782439461 /nfs/dbraw/zinc/43/94/61/782439461.db2.gz SZDMRGUGWZPIBX-UTUOFQBUSA-N 1 1 324.381 -1.016 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343662 782439894 /nfs/dbraw/zinc/43/98/94/782439894.db2.gz MQARPMPEFFMGED-BBBLOLIVSA-N 1 1 323.353 -1.994 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343662 782439900 /nfs/dbraw/zinc/43/99/00/782439900.db2.gz MQARPMPEFFMGED-BBBLOLIVSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001098347575 782440428 /nfs/dbraw/zinc/44/04/28/782440428.db2.gz ZZWQCSCBSFPZHY-MXWKQRLJSA-N 1 1 310.354 -1.406 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098308452 782440474 /nfs/dbraw/zinc/44/04/74/782440474.db2.gz LCNWGYBDLAUDJM-YIYPIFLZSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471763 782441046 /nfs/dbraw/zinc/44/10/46/782441046.db2.gz YQJMQWATSHHTBO-DBIOUOCHSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471763 782441050 /nfs/dbraw/zinc/44/10/50/782441050.db2.gz YQJMQWATSHHTBO-DBIOUOCHSA-N 1 1 321.381 -1.067 20 0 DAADMO Cc1ccn(CC(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098481327 782441094 /nfs/dbraw/zinc/44/10/94/782441094.db2.gz QGWDLRCFBFXLDJ-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001098371532 782441199 /nfs/dbraw/zinc/44/11/99/782441199.db2.gz WZIPYZVOUGSXQR-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098353354 782441316 /nfs/dbraw/zinc/44/13/16/782441316.db2.gz HTFCNJYWUXBOBA-DBIOUOCHSA-N 1 1 322.365 -1.269 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098353354 782441320 /nfs/dbraw/zinc/44/13/20/782441320.db2.gz HTFCNJYWUXBOBA-DBIOUOCHSA-N 1 1 322.365 -1.269 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098350598 782442372 /nfs/dbraw/zinc/44/23/72/782442372.db2.gz MICYORIUINPDIX-MXWKQRLJSA-N 1 1 322.365 -1.397 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098350598 782442375 /nfs/dbraw/zinc/44/23/75/782442375.db2.gz MICYORIUINPDIX-MXWKQRLJSA-N 1 1 322.365 -1.397 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)[nH]c1=O ZINC001098382745 782442439 /nfs/dbraw/zinc/44/24/39/782442439.db2.gz LMZQKVDDDKLBLW-IEBDPFPHSA-N 1 1 308.338 -1.187 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001098417130 782442520 /nfs/dbraw/zinc/44/25/20/782442520.db2.gz VPTMDLXVEPSXHG-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CCS(=O)(=O)N1 ZINC001098429413 782442607 /nfs/dbraw/zinc/44/26/07/782442607.db2.gz WFDYIRGPVOIXFL-KXNHARMFSA-N 1 1 317.411 -1.218 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001098787919 782445418 /nfs/dbraw/zinc/44/54/18/782445418.db2.gz JCDUGFXNZZAJOI-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001098787919 782445422 /nfs/dbraw/zinc/44/54/22/782445422.db2.gz JCDUGFXNZZAJOI-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098722839 782445478 /nfs/dbraw/zinc/44/54/78/782445478.db2.gz BWPJKAFYUGBSDN-WDMOLILDSA-N 1 1 321.385 -1.092 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098745356 782446005 /nfs/dbraw/zinc/44/60/05/782446005.db2.gz IPRNTORCYGOREB-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098720555 782446175 /nfs/dbraw/zinc/44/61/75/782446175.db2.gz HPCVFKWIDNALKK-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098720821 782446360 /nfs/dbraw/zinc/44/63/60/782446360.db2.gz RECOVHDHUFHEPJ-NRUUGDAUSA-N 1 1 307.358 -1.482 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)NC1=O ZINC001098974621 782447597 /nfs/dbraw/zinc/44/75/97/782447597.db2.gz ZVZOPIZQTXDNPD-RBZYPMLTSA-N 1 1 309.370 -1.534 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)NC1=O ZINC001098974621 782447604 /nfs/dbraw/zinc/44/76/04/782447604.db2.gz ZVZOPIZQTXDNPD-RBZYPMLTSA-N 1 1 309.370 -1.534 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)ncc1=O ZINC001098951400 782447748 /nfs/dbraw/zinc/44/77/48/782447748.db2.gz GVRCNLLGOMHXGC-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)ncc1=O ZINC001098951400 782447755 /nfs/dbraw/zinc/44/77/55/782447755.db2.gz GVRCNLLGOMHXGC-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001099003117 782447858 /nfs/dbraw/zinc/44/78/58/782447858.db2.gz DIFHZCGEPBLEFR-PGUXBMHVSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001098915095 782448091 /nfs/dbraw/zinc/44/80/91/782448091.db2.gz ZNAAJDZKTGGQHT-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001098915095 782448095 /nfs/dbraw/zinc/44/80/95/782448095.db2.gz ZNAAJDZKTGGQHT-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001098880999 782448118 /nfs/dbraw/zinc/44/81/18/782448118.db2.gz BKUUBRCMCRAJIE-PGUXBMHVSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)cc1=O ZINC001098882523 782448282 /nfs/dbraw/zinc/44/82/82/782448282.db2.gz HTAZFSQTHIOBKM-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)cc1=O ZINC001098882523 782448284 /nfs/dbraw/zinc/44/82/84/782448284.db2.gz HTAZFSQTHIOBKM-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)C1CS(=O)(=O)C1 ZINC001098854720 782448467 /nfs/dbraw/zinc/44/84/67/782448467.db2.gz XTKGXIDZSJDJQM-AAEUAGOBSA-N 1 1 302.396 -1.006 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)C1CS(=O)(=O)C1 ZINC001098854720 782448473 /nfs/dbraw/zinc/44/84/73/782448473.db2.gz XTKGXIDZSJDJQM-AAEUAGOBSA-N 1 1 302.396 -1.006 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2nccn2)C1 ZINC001098857009 782448621 /nfs/dbraw/zinc/44/86/21/782448621.db2.gz WTKMDHABWDYRSL-FZMZJTMJSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCNC2=O)C1 ZINC001098974636 782448934 /nfs/dbraw/zinc/44/89/34/782448934.db2.gz CVVGWUAQQRCEEQ-PGUXBMHVSA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001098871332 782448995 /nfs/dbraw/zinc/44/89/95/782448995.db2.gz GUPPLFXYTOIIND-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCNC2=O)C1 ZINC001098871332 782448999 /nfs/dbraw/zinc/44/89/99/782448999.db2.gz GUPPLFXYTOIIND-ZETOZRRWSA-N 1 1 308.382 -1.031 20 0 DAADMO CC[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001099300602 782450032 /nfs/dbraw/zinc/45/00/32/782450032.db2.gz OQQDCWCNFPGAEG-FSDSQADBSA-N 1 1 310.276 -1.286 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C(F)(F)F ZINC001099255978 782450134 /nfs/dbraw/zinc/45/01/34/782450134.db2.gz CFOVBWNHPSADOA-HTQZYQBOSA-N 1 1 320.275 -1.258 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001099226612 782450441 /nfs/dbraw/zinc/45/04/41/782450441.db2.gz CIVIEYWQGBTYHS-RRKCRQDMSA-N 1 1 310.276 -1.286 20 0 DAADMO CC[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001099300601 782450485 /nfs/dbraw/zinc/45/04/85/782450485.db2.gz OQQDCWCNFPGAEG-DSYKOEDSSA-N 1 1 310.276 -1.286 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)nn1 ZINC001099247627 782450926 /nfs/dbraw/zinc/45/09/26/782450926.db2.gz GVNNWRPCUFLUFM-RNFRBKRXSA-N 1 1 320.275 -1.107 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C(F)(F)F ZINC001099339938 782451803 /nfs/dbraw/zinc/45/18/03/782451803.db2.gz JZVYTHNZIVOSGG-HTQZYQBOSA-N 1 1 320.275 -1.258 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001099519640 782452525 /nfs/dbraw/zinc/45/25/25/782452525.db2.gz JABIHNGIUDDDLV-BJDJZHNGSA-N 1 1 308.382 -1.223 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001099613103 782454441 /nfs/dbraw/zinc/45/44/41/782454441.db2.gz DUXNSAGVHMNPLJ-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607918 782453454 /nfs/dbraw/zinc/45/34/54/782453454.db2.gz SQPYKWWTGZHVEA-SFYZADRCSA-N 1 1 315.342 -1.648 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607918 782453459 /nfs/dbraw/zinc/45/34/59/782453459.db2.gz SQPYKWWTGZHVEA-SFYZADRCSA-N 1 1 315.342 -1.648 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099629901 782457365 /nfs/dbraw/zinc/45/73/65/782457365.db2.gz JGEGQHFUXBFHQX-NEPJUHHUSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099629901 782457369 /nfs/dbraw/zinc/45/73/69/782457369.db2.gz JGEGQHFUXBFHQX-NEPJUHHUSA-N 1 1 312.370 -2.094 20 0 DAADMO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001099631333 782457395 /nfs/dbraw/zinc/45/73/95/782457395.db2.gz VRQSINUQIHWEBU-GXTWGEPZSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099631155 782457851 /nfs/dbraw/zinc/45/78/51/782457851.db2.gz UMLDJFGDAFYLIG-RYUDHWBXSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099631155 782457855 /nfs/dbraw/zinc/45/78/55/782457855.db2.gz UMLDJFGDAFYLIG-RYUDHWBXSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001099631551 782459036 /nfs/dbraw/zinc/45/90/36/782459036.db2.gz WXJBHBIHYWSZEA-UONOGXRCSA-N 1 1 323.397 -1.350 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099633870 782459192 /nfs/dbraw/zinc/45/91/92/782459192.db2.gz UPCRJOBVXPDYPY-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631761 782460109 /nfs/dbraw/zinc/46/01/09/782460109.db2.gz YXKSRMCKUJFKPX-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651033 782461757 /nfs/dbraw/zinc/46/17/57/782461757.db2.gz OJCSITZBWWEPSH-WDEREUQCSA-N 1 1 302.375 -1.369 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650824 782460960 /nfs/dbraw/zinc/46/09/60/782460960.db2.gz LDIWTHURHLYEEM-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650824 782460968 /nfs/dbraw/zinc/46/09/68/782460968.db2.gz LDIWTHURHLYEEM-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651004 782461347 /nfs/dbraw/zinc/46/13/47/782461347.db2.gz OAAHGAPOYXLIOX-PWSUYJOCSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651004 782461351 /nfs/dbraw/zinc/46/13/51/782461351.db2.gz OAAHGAPOYXLIOX-PWSUYJOCSA-N 1 1 322.369 -1.495 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650635 782461363 /nfs/dbraw/zinc/46/13/63/782461363.db2.gz ICMVCFGQLIQUFM-NWDGAFQWSA-N 1 1 324.385 -1.818 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099644899 782461418 /nfs/dbraw/zinc/46/14/18/782461418.db2.gz LACFIINSGANKAI-WDEREUQCSA-N 1 1 314.346 -2.767 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001099650806 782461447 /nfs/dbraw/zinc/46/14/47/782461447.db2.gz KUNWLOPNKUCBBS-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001099651778 782463676 /nfs/dbraw/zinc/46/36/76/782463676.db2.gz WSMIIQAKOZZNER-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099652522 782463776 /nfs/dbraw/zinc/46/37/76/782463776.db2.gz ZXRWNFSNZVROAB-OLZOCXBDSA-N 1 1 312.370 -1.406 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666282 782465292 /nfs/dbraw/zinc/46/52/92/782465292.db2.gz STXNSVPSXGXJAJ-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666282 782465296 /nfs/dbraw/zinc/46/52/96/782465296.db2.gz STXNSVPSXGXJAJ-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665692 782465669 /nfs/dbraw/zinc/46/56/69/782465669.db2.gz LCNJUWQCYWSOEX-MNOVXSKESA-N 1 1 318.374 -2.131 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665693 782465722 /nfs/dbraw/zinc/46/57/22/782465722.db2.gz LCNJUWQCYWSOEX-QWRGUYRKSA-N 1 1 318.374 -2.131 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666235 782465908 /nfs/dbraw/zinc/46/59/08/782465908.db2.gz RYSJCODGRAPLKK-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666235 782465911 /nfs/dbraw/zinc/46/59/11/782465911.db2.gz RYSJCODGRAPLKK-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666038 782465955 /nfs/dbraw/zinc/46/59/55/782465955.db2.gz OYMRNCVWQJSUPC-VXGBXAGGSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666038 782465958 /nfs/dbraw/zinc/46/59/58/782465958.db2.gz OYMRNCVWQJSUPC-VXGBXAGGSA-N 1 1 324.385 -1.552 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001099669715 782467470 /nfs/dbraw/zinc/46/74/70/782467470.db2.gz WWTTZZQQBCEEAG-VHSXEESVSA-N 1 1 313.383 -1.137 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001099669715 782467474 /nfs/dbraw/zinc/46/74/74/782467474.db2.gz WWTTZZQQBCEEAG-VHSXEESVSA-N 1 1 313.383 -1.137 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099737557 782473544 /nfs/dbraw/zinc/47/35/44/782473544.db2.gz AEWVTPCEVFOQHO-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099737557 782473551 /nfs/dbraw/zinc/47/35/51/782473551.db2.gz AEWVTPCEVFOQHO-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001099728023 782473813 /nfs/dbraw/zinc/47/38/13/782473813.db2.gz URVXCHXZXBZADD-YPMHNXCESA-N 1 1 312.370 -1.108 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1)C1CC1 ZINC001099741349 782475399 /nfs/dbraw/zinc/47/53/99/782475399.db2.gz RORANVJBMGDXLJ-WDEREUQCSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1)C1CC1 ZINC001099741349 782475405 /nfs/dbraw/zinc/47/54/05/782475405.db2.gz RORANVJBMGDXLJ-WDEREUQCSA-N 1 1 312.370 -1.966 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704369 782469292 /nfs/dbraw/zinc/46/92/92/782469292.db2.gz KSDXYKBPAREBKW-WDEREUQCSA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099690896 782469684 /nfs/dbraw/zinc/46/96/84/782469684.db2.gz WOYABHVPTBKKRB-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099690896 782469690 /nfs/dbraw/zinc/46/96/90/782469690.db2.gz WOYABHVPTBKKRB-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099689583 782469791 /nfs/dbraw/zinc/46/97/91/782469791.db2.gz GZUINRRINDTRHZ-RYUDHWBXSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099689583 782469796 /nfs/dbraw/zinc/46/97/96/782469796.db2.gz GZUINRRINDTRHZ-RYUDHWBXSA-N 1 1 314.386 -1.896 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnsn1 ZINC001099689129 782469858 /nfs/dbraw/zinc/46/98/58/782469858.db2.gz CWPJXXSBJBZEMY-GXSJLCMTSA-N 1 1 316.383 -1.288 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099737856 782472558 /nfs/dbraw/zinc/47/25/58/782472558.db2.gz FICCYENRQDSEOO-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099737856 782472560 /nfs/dbraw/zinc/47/25/60/782472560.db2.gz FICCYENRQDSEOO-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)cn1 ZINC001099758514 782479602 /nfs/dbraw/zinc/47/96/02/782479602.db2.gz UIHAWYBQUDHWRP-CHWSQXEVSA-N 1 1 323.397 -1.128 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)ncn1 ZINC001099776160 782481452 /nfs/dbraw/zinc/48/14/52/782481452.db2.gz NLNMUZMTASQANU-GXTWGEPZSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757224 782476856 /nfs/dbraw/zinc/47/68/56/782476856.db2.gz AZJRDRUUXFOFGB-GHMZBOCLSA-N 1 1 314.386 -1.720 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757224 782476859 /nfs/dbraw/zinc/47/68/59/782476859.db2.gz AZJRDRUUXFOFGB-GHMZBOCLSA-N 1 1 314.386 -1.720 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099758552 782478588 /nfs/dbraw/zinc/47/85/88/782478588.db2.gz UXGKVUXRYCJZMB-QWHCGFSZSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099758145 782478731 /nfs/dbraw/zinc/47/87/31/782478731.db2.gz OVOCSPXWULVKDO-VXGBXAGGSA-N 1 1 324.385 -1.678 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758092 782478765 /nfs/dbraw/zinc/47/87/65/782478765.db2.gz OAWZGDJHALAHTA-RYUDHWBXSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758092 782478772 /nfs/dbraw/zinc/47/87/72/782478772.db2.gz OAWZGDJHALAHTA-RYUDHWBXSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758090 782479371 /nfs/dbraw/zinc/47/93/71/782479371.db2.gz OAWZGDJHALAHTA-NEPJUHHUSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758090 782479374 /nfs/dbraw/zinc/47/93/74/782479374.db2.gz OAWZGDJHALAHTA-NEPJUHHUSA-N 1 1 309.370 -1.345 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099787185 782483477 /nfs/dbraw/zinc/48/34/77/782483477.db2.gz UKHBPMABKCTVKX-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099791535 782484311 /nfs/dbraw/zinc/48/43/11/782484311.db2.gz GQQDKMPMARZGOV-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099791535 782484316 /nfs/dbraw/zinc/48/43/16/782484316.db2.gz GQQDKMPMARZGOV-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099791644 782484834 /nfs/dbraw/zinc/48/48/34/782484834.db2.gz IDPNJKXUJONZBM-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099791644 782484840 /nfs/dbraw/zinc/48/48/40/782484840.db2.gz IDPNJKXUJONZBM-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001099791251 782485245 /nfs/dbraw/zinc/48/52/45/782485245.db2.gz BMRIEHJACSZMPR-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001099791251 782485251 /nfs/dbraw/zinc/48/52/51/782485251.db2.gz BMRIEHJACSZMPR-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001099792829 782487109 /nfs/dbraw/zinc/48/71/09/782487109.db2.gz ZVUGSERZGQJFAM-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001099792826 782486423 /nfs/dbraw/zinc/48/64/23/782486423.db2.gz ZVUGSERZGQJFAM-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099792640 782486553 /nfs/dbraw/zinc/48/65/53/782486553.db2.gz XMALIRQKBYJKHU-QWHCGFSZSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099792640 782486560 /nfs/dbraw/zinc/48/65/60/782486560.db2.gz XMALIRQKBYJKHU-QWHCGFSZSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099792357 782486614 /nfs/dbraw/zinc/48/66/14/782486614.db2.gz SVJKDHWSTHBSQO-STQMWFEESA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099792357 782486618 /nfs/dbraw/zinc/48/66/18/782486618.db2.gz SVJKDHWSTHBSQO-STQMWFEESA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099792356 782486948 /nfs/dbraw/zinc/48/69/48/782486948.db2.gz SVJKDHWSTHBSQO-QWHCGFSZSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099792356 782486951 /nfs/dbraw/zinc/48/69/51/782486951.db2.gz SVJKDHWSTHBSQO-QWHCGFSZSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1=CCOCC1 ZINC001099787593 782482453 /nfs/dbraw/zinc/48/24/53/782482453.db2.gz YEMIXVITFGDRDE-ZIAGYGMSSA-N 1 1 314.382 -1.107 20 0 DAADMO Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099799841 782489265 /nfs/dbraw/zinc/48/92/65/782489265.db2.gz SUCWCRGSNVEORJ-STQMWFEESA-N 1 1 324.381 -1.041 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099809515 782490344 /nfs/dbraw/zinc/49/03/44/782490344.db2.gz ITFRMTWCXUAUMA-NWDGAFQWSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099809515 782490351 /nfs/dbraw/zinc/49/03/51/782490351.db2.gz ITFRMTWCXUAUMA-NWDGAFQWSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099814041 782492045 /nfs/dbraw/zinc/49/20/45/782492045.db2.gz YNURMSISBQXDHI-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813467 782492367 /nfs/dbraw/zinc/49/23/67/782492367.db2.gz PJPHOVGLKUIOLD-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099832916 782495373 /nfs/dbraw/zinc/49/53/73/782495373.db2.gz OPEYFJHOTMHYNM-GHMZBOCLSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099840626 782497504 /nfs/dbraw/zinc/49/75/04/782497504.db2.gz DZIXGPQDHZMVFR-QWHCGFSZSA-N 1 1 322.365 -1.645 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099841285 782497569 /nfs/dbraw/zinc/49/75/69/782497569.db2.gz JNVJDAVGYWMZGP-MNOVXSKESA-N 1 1 319.427 -1.113 20 0 DAADMO COCCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099841757 782496802 /nfs/dbraw/zinc/49/68/02/782496802.db2.gz MVSSEOAVBSMTJY-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099841757 782496807 /nfs/dbraw/zinc/49/68/07/782496807.db2.gz MVSSEOAVBSMTJY-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838028 782496836 /nfs/dbraw/zinc/49/68/36/782496836.db2.gz HDHVAVINIQKKAO-NEPJUHHUSA-N 1 1 312.374 -1.351 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099845462 782497126 /nfs/dbraw/zinc/49/71/26/782497126.db2.gz XRCNKVPSJXVNON-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099845462 782497141 /nfs/dbraw/zinc/49/71/41/782497141.db2.gz XRCNKVPSJXVNON-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844062 782497155 /nfs/dbraw/zinc/49/71/55/782497155.db2.gz BGETYEASCUEELA-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844062 782497161 /nfs/dbraw/zinc/49/71/61/782497161.db2.gz BGETYEASCUEELA-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838029 782497211 /nfs/dbraw/zinc/49/72/11/782497211.db2.gz HDHVAVINIQKKAO-NWDGAFQWSA-N 1 1 312.374 -1.351 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099811462 782492889 /nfs/dbraw/zinc/49/28/89/782492889.db2.gz ZGTQRLHNLDNXJI-NEPJUHHUSA-N 1 1 311.386 -1.010 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099811465 782492946 /nfs/dbraw/zinc/49/29/46/782492946.db2.gz ZGTQRLHNLDNXJI-VXGBXAGGSA-N 1 1 311.386 -1.010 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099814038 782492984 /nfs/dbraw/zinc/49/29/84/782492984.db2.gz YNURMSISBQXDHI-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099841285 782497574 /nfs/dbraw/zinc/49/75/74/782497574.db2.gz JNVJDAVGYWMZGP-MNOVXSKESA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099812733 782493350 /nfs/dbraw/zinc/49/33/50/782493350.db2.gz HDTXKUUXORHPQG-WDEREUQCSA-N 1 1 302.375 -1.761 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099833054 782494233 /nfs/dbraw/zinc/49/42/33/782494233.db2.gz QOFMSTYRRCGXOK-QWRGUYRKSA-N 1 1 323.415 -2.141 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](O)C1 ZINC001099833440 782494277 /nfs/dbraw/zinc/49/42/77/782494277.db2.gz WDLLVLKWFDHKHO-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099833135 782494371 /nfs/dbraw/zinc/49/43/71/782494371.db2.gz RKZLGJATJWXZCQ-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099833133 782494685 /nfs/dbraw/zinc/49/46/85/782494685.db2.gz RKZLGJATJWXZCQ-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099857876 782498598 /nfs/dbraw/zinc/49/85/98/782498598.db2.gz DJACNKHGJNIHGC-QWHCGFSZSA-N 1 1 313.398 -1.164 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099860674 782498619 /nfs/dbraw/zinc/49/86/19/782498619.db2.gz GIDJMBWKCJYJRR-RYUDHWBXSA-N 1 1 301.387 -1.356 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099861807 782498703 /nfs/dbraw/zinc/49/87/03/782498703.db2.gz ZDFYIKXAHLLPOH-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099860686 782498801 /nfs/dbraw/zinc/49/88/01/782498801.db2.gz GNAKBAJAWOTZPY-QWRGUYRKSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099857950 782499020 /nfs/dbraw/zinc/49/90/20/782499020.db2.gz FKTYWEKRYQTGJG-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099857950 782499022 /nfs/dbraw/zinc/49/90/22/782499022.db2.gz FKTYWEKRYQTGJG-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844063 782497641 /nfs/dbraw/zinc/49/76/41/782497641.db2.gz BGETYEASCUEELA-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844063 782497646 /nfs/dbraw/zinc/49/76/46/782497646.db2.gz BGETYEASCUEELA-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099863228 782501141 /nfs/dbraw/zinc/50/11/41/782501141.db2.gz KISWTOHUBNSDGN-GHMZBOCLSA-N 1 1 305.350 -1.388 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099863228 782501150 /nfs/dbraw/zinc/50/11/50/782501150.db2.gz KISWTOHUBNSDGN-GHMZBOCLSA-N 1 1 305.350 -1.388 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099860991 782501194 /nfs/dbraw/zinc/50/11/94/782501194.db2.gz LFRDUHWNIYSKJV-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099860991 782501204 /nfs/dbraw/zinc/50/12/04/782501204.db2.gz LFRDUHWNIYSKJV-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099863286 782501501 /nfs/dbraw/zinc/50/15/01/782501501.db2.gz LFKGJEBVNYSRKF-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099860672 782499147 /nfs/dbraw/zinc/49/91/47/782499147.db2.gz GIDJMBWKCJYJRR-NEPJUHHUSA-N 1 1 301.387 -1.356 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099848974 782499402 /nfs/dbraw/zinc/49/94/02/782499402.db2.gz ZWAYJAIMEXEPAC-QWHCGFSZSA-N 1 1 313.398 -1.164 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099857955 782499600 /nfs/dbraw/zinc/49/96/00/782499600.db2.gz FKWJDBFBWOVEGV-UWVGGRQHSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099857955 782499604 /nfs/dbraw/zinc/49/96/04/782499604.db2.gz FKWJDBFBWOVEGV-UWVGGRQHSA-N 1 1 315.374 -2.445 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099848975 782499774 /nfs/dbraw/zinc/49/97/74/782499774.db2.gz ZWAYJAIMEXEPAC-STQMWFEESA-N 1 1 313.398 -1.164 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC(C)C)C[C@H]1O ZINC001099862909 782501700 /nfs/dbraw/zinc/50/17/00/782501700.db2.gz FIWOKDUQMHWFGG-NWDGAFQWSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880139 782502971 /nfs/dbraw/zinc/50/29/71/782502971.db2.gz VXFLSSBNDQFWBL-STQMWFEESA-N 1 1 312.414 -1.232 20 0 DAADMO COCC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CCOCC1 ZINC001099867493 782503771 /nfs/dbraw/zinc/50/37/71/782503771.db2.gz XMGGRNYGXZPNOI-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099865059 782503809 /nfs/dbraw/zinc/50/38/09/782503809.db2.gz YIMAHSKPVDWLAW-NWDGAFQWSA-N 1 1 324.385 -1.637 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099883225 782504685 /nfs/dbraw/zinc/50/46/85/782504685.db2.gz YNMFVKQINRXXSO-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099883225 782504690 /nfs/dbraw/zinc/50/46/90/782504690.db2.gz YNMFVKQINRXXSO-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001099862908 782501861 /nfs/dbraw/zinc/50/18/61/782501861.db2.gz FIWOKDUQMHWFGG-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860992 782501886 /nfs/dbraw/zinc/50/18/86/782501886.db2.gz LIEAWECONNXRNV-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099861418 782501896 /nfs/dbraw/zinc/50/18/96/782501896.db2.gz SEBFADHJRQKZFM-QWRGUYRKSA-N 1 1 323.415 -2.141 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001099861085 782502273 /nfs/dbraw/zinc/50/22/73/782502273.db2.gz MXLAXLPYDNEUIA-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099861806 782502288 /nfs/dbraw/zinc/50/22/88/782502288.db2.gz ZDFYIKXAHLLPOH-VHSXEESVSA-N 1 1 309.388 -2.531 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887314 782506526 /nfs/dbraw/zinc/50/65/26/782506526.db2.gz CMOYVUVEGWIUTD-NXEZZACHSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887314 782506531 /nfs/dbraw/zinc/50/65/31/782506531.db2.gz CMOYVUVEGWIUTD-NXEZZACHSA-N 1 1 314.386 -1.863 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099887722 782506643 /nfs/dbraw/zinc/50/66/43/782506643.db2.gz JVVXJIYROYYOKV-NEPJUHHUSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099888652 782506727 /nfs/dbraw/zinc/50/67/27/782506727.db2.gz YAFMIIVULPMHBV-QWRGUYRKSA-N 1 1 324.385 -1.659 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887315 782506936 /nfs/dbraw/zinc/50/69/36/782506936.db2.gz CMOYVUVEGWIUTD-UWVGGRQHSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887315 782506944 /nfs/dbraw/zinc/50/69/44/782506944.db2.gz CMOYVUVEGWIUTD-UWVGGRQHSA-N 1 1 314.386 -1.863 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001099901372 782508449 /nfs/dbraw/zinc/50/84/49/782508449.db2.gz IIOUYOZGCYJOBF-PWSUYJOCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001099901372 782508456 /nfs/dbraw/zinc/50/84/56/782508456.db2.gz IIOUYOZGCYJOBF-PWSUYJOCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001099901372 782508460 /nfs/dbraw/zinc/50/84/60/782508460.db2.gz IIOUYOZGCYJOBF-PWSUYJOCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901120 782508801 /nfs/dbraw/zinc/50/88/01/782508801.db2.gz DVJDNHDPCCSFPF-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001099901370 782508914 /nfs/dbraw/zinc/50/89/14/782508914.db2.gz IIOUYOZGCYJOBF-CMPLNLGQSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001099901370 782508919 /nfs/dbraw/zinc/50/89/19/782508919.db2.gz IIOUYOZGCYJOBF-CMPLNLGQSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001099901370 782508924 /nfs/dbraw/zinc/50/89/24/782508924.db2.gz IIOUYOZGCYJOBF-CMPLNLGQSA-N 1 1 313.358 -1.367 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099908392 782509948 /nfs/dbraw/zinc/50/99/48/782509948.db2.gz CPIZQCFXQAWSMC-GHMZBOCLSA-N 1 1 302.375 -1.631 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099909211 782511391 /nfs/dbraw/zinc/51/13/91/782511391.db2.gz PBHVFOFRXCBWMD-VXGBXAGGSA-N 1 1 316.402 -1.241 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099909735 782510206 /nfs/dbraw/zinc/51/02/06/782510206.db2.gz WXHHMHIEEJECHZ-GHMZBOCLSA-N 1 1 313.354 -1.931 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099905567 782510473 /nfs/dbraw/zinc/51/04/73/782510473.db2.gz ANPOMQGTXZDZJR-AAEUAGOBSA-N 1 1 312.370 -1.406 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001099935316 782512648 /nfs/dbraw/zinc/51/26/48/782512648.db2.gz LZCUKKNJLGHUEL-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001099923608 782513047 /nfs/dbraw/zinc/51/30/47/782513047.db2.gz GRMLEFJQKRWBPP-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099941931 782514029 /nfs/dbraw/zinc/51/40/29/782514029.db2.gz JFHWNSVKJFHQQX-GHMZBOCLSA-N 1 1 313.358 -1.713 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099936892 782514109 /nfs/dbraw/zinc/51/41/09/782514109.db2.gz GPSVRAQDKSLNMX-QWRGUYRKSA-N 1 1 320.415 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099937136 782515040 /nfs/dbraw/zinc/51/50/40/782515040.db2.gz ILHHFOKXIXTNHW-VHSXEESVSA-N 1 1 324.403 -2.762 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001099941851 782515271 /nfs/dbraw/zinc/51/52/71/782515271.db2.gz IGFKHUCQJWVCMB-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001099941851 782515278 /nfs/dbraw/zinc/51/52/78/782515278.db2.gz IGFKHUCQJWVCMB-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO COCC1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099922337 782511750 /nfs/dbraw/zinc/51/17/50/782511750.db2.gz UWCUXKLQNLHSBQ-STQMWFEESA-N 1 1 316.398 -1.027 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOCC3CC3)C[C@@H]2O)n1 ZINC001099946407 782517104 /nfs/dbraw/zinc/51/71/04/782517104.db2.gz FYUXCRWWUVORTP-NEPJUHHUSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOCC3CC3)C[C@H]2O)n1 ZINC001099946408 782517473 /nfs/dbraw/zinc/51/74/73/782517473.db2.gz FYUXCRWWUVORTP-NWDGAFQWSA-N 1 1 324.385 -1.198 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946325 782517624 /nfs/dbraw/zinc/51/76/24/782517624.db2.gz DUBPIUXPTBYXLP-QWRGUYRKSA-N 1 1 312.374 -1.200 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001099973915 782519137 /nfs/dbraw/zinc/51/91/37/782519137.db2.gz KVOMOHNJUSFEFQ-RYUDHWBXSA-N 1 1 324.385 -1.515 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973380 782519218 /nfs/dbraw/zinc/51/92/18/782519218.db2.gz BXMILELLDGKDDC-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973380 782519227 /nfs/dbraw/zinc/51/92/27/782519227.db2.gz BXMILELLDGKDDC-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001099975263 782519735 /nfs/dbraw/zinc/51/97/35/782519735.db2.gz ZVBFNTOBCSDELD-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972654 782520548 /nfs/dbraw/zinc/52/05/48/782520548.db2.gz ZXBXJZZCARDRSQ-ZJUUUORDSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972654 782520556 /nfs/dbraw/zinc/52/05/56/782520556.db2.gz ZXBXJZZCARDRSQ-ZJUUUORDSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946326 782516298 /nfs/dbraw/zinc/51/62/98/782516298.db2.gz DUBPIUXPTBYXLP-WDEREUQCSA-N 1 1 312.374 -1.200 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099947685 782516776 /nfs/dbraw/zinc/51/67/76/782516776.db2.gz ZBBXQTFUKQUSDY-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001099978383 782521475 /nfs/dbraw/zinc/52/14/75/782521475.db2.gz FNGBZEVRVPSNLW-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001099978383 782521483 /nfs/dbraw/zinc/52/14/83/782521483.db2.gz FNGBZEVRVPSNLW-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979579 782522277 /nfs/dbraw/zinc/52/22/77/782522277.db2.gz XDYHMXDVMQZCGX-DTWKUNHWSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979579 782522287 /nfs/dbraw/zinc/52/22/87/782522287.db2.gz XDYHMXDVMQZCGX-DTWKUNHWSA-N 1 1 300.359 -2.062 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001099980368 782522509 /nfs/dbraw/zinc/52/25/09/782522509.db2.gz GWYJVMFVNXLSPR-VXGBXAGGSA-N 1 1 321.381 -1.300 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978671 782522758 /nfs/dbraw/zinc/52/27/58/782522758.db2.gz JRBHLLTZEDNAAQ-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978671 782522767 /nfs/dbraw/zinc/52/27/67/782522767.db2.gz JRBHLLTZEDNAAQ-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001099986854 782524187 /nfs/dbraw/zinc/52/41/87/782524187.db2.gz QFJPHMHGGFGROT-QWHCGFSZSA-N 1 1 303.403 -1.502 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099981730 782525074 /nfs/dbraw/zinc/52/50/74/782525074.db2.gz RYYYIWNCLSVUAM-QWRGUYRKSA-N 1 1 315.370 -2.188 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001100022606 782528707 /nfs/dbraw/zinc/52/87/07/782528707.db2.gz OIUWQENHNKXVRY-MNOVXSKESA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001100022606 782528710 /nfs/dbraw/zinc/52/87/10/782528710.db2.gz OIUWQENHNKXVRY-MNOVXSKESA-N 1 1 322.427 -1.257 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019919 782529883 /nfs/dbraw/zinc/52/98/83/782529883.db2.gz JJJPDCGOLBJPLU-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100030006 782530901 /nfs/dbraw/zinc/53/09/01/782530901.db2.gz UWSUWJFKKHXTFE-CMPLNLGQSA-N 1 1 313.358 -2.011 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001100030246 782530699 /nfs/dbraw/zinc/53/06/99/782530699.db2.gz WMUPOUJSTIPNPY-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100030007 782531289 /nfs/dbraw/zinc/53/12/89/782531289.db2.gz UWSUWJFKKHXTFE-JQWIXIFHSA-N 1 1 313.358 -2.011 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100030584 782532636 /nfs/dbraw/zinc/53/26/36/782532636.db2.gz YUQKXAVQWOKAQW-VHSXEESVSA-N 1 1 323.415 -2.142 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001100027296 782532766 /nfs/dbraw/zinc/53/27/66/782532766.db2.gz OFOUROGFERNXRU-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001100027296 782532769 /nfs/dbraw/zinc/53/27/69/782532769.db2.gz OFOUROGFERNXRU-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO NC(=O)CN1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036208 782534009 /nfs/dbraw/zinc/53/40/09/782534009.db2.gz BPWJHVNFYCSUBC-NEPJUHHUSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100037470 782534727 /nfs/dbraw/zinc/53/47/27/782534727.db2.gz ZVMYJEGWCJYYFM-QWRGUYRKSA-N 1 1 310.354 -1.502 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ccncn1 ZINC001100039360 782536345 /nfs/dbraw/zinc/53/63/45/782536345.db2.gz QVSUZKCPPYOIMI-DGCLKSJQSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cccnn1 ZINC001100041990 782537646 /nfs/dbraw/zinc/53/76/46/782537646.db2.gz RIYUNUJKFSVRSG-DGCLKSJQSA-N 1 1 310.354 -1.350 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001100048820 782539774 /nfs/dbraw/zinc/53/97/74/782539774.db2.gz RQNSGJHNSNUIFB-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001100048820 782539778 /nfs/dbraw/zinc/53/97/78/782539778.db2.gz RQNSGJHNSNUIFB-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)c1cnon1 ZINC001100042217 782540325 /nfs/dbraw/zinc/54/03/25/782540325.db2.gz VXNRUOCEGDTHPM-CMPLNLGQSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O)c1cnon1 ZINC001100042217 782540332 /nfs/dbraw/zinc/54/03/32/782540332.db2.gz VXNRUOCEGDTHPM-CMPLNLGQSA-N 1 1 323.353 -1.239 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100057240 782540781 /nfs/dbraw/zinc/54/07/81/782540781.db2.gz DGWSROKYWCPCQM-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100057240 782540787 /nfs/dbraw/zinc/54/07/87/782540787.db2.gz DGWSROKYWCPCQM-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100058531 782542236 /nfs/dbraw/zinc/54/22/36/782542236.db2.gz VEXFKKLUMXNPOQ-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100058531 782542241 /nfs/dbraw/zinc/54/22/41/782542241.db2.gz VEXFKKLUMXNPOQ-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@H]1O ZINC001100064404 782543324 /nfs/dbraw/zinc/54/33/24/782543324.db2.gz MBTIAKBYKKAXJB-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@H]1O ZINC001100064402 782544496 /nfs/dbraw/zinc/54/44/96/782544496.db2.gz MBTIAKBYKKAXJB-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO COCCCOCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100072651 782545379 /nfs/dbraw/zinc/54/53/79/782545379.db2.gz YPCUXHUCMDZTGH-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001100085056 782546506 /nfs/dbraw/zinc/54/65/06/782546506.db2.gz FPQIRUFKTXNWBZ-VXGBXAGGSA-N 1 1 313.398 -1.164 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100083856 782547806 /nfs/dbraw/zinc/54/78/06/782547806.db2.gz WOYCKUGUTQMFMF-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@H]1O ZINC001100083111 782548359 /nfs/dbraw/zinc/54/83/59/782548359.db2.gz NGHVIWQBRYUYNC-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091378 782548601 /nfs/dbraw/zinc/54/86/01/782548601.db2.gz BPAUSYUIAKQEAZ-WDEREUQCSA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100092642 782549245 /nfs/dbraw/zinc/54/92/45/782549245.db2.gz PZIZBUBKWRETMA-VHSXEESVSA-N 1 1 309.388 -2.579 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096837 782549436 /nfs/dbraw/zinc/54/94/36/782549436.db2.gz NQINSWHLQVRBOP-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100092872 782549591 /nfs/dbraw/zinc/54/95/91/782549591.db2.gz UEVLHBBZVUXFMF-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100092643 782550389 /nfs/dbraw/zinc/55/03/89/782550389.db2.gz PZIZBUBKWRETMA-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103619 782551737 /nfs/dbraw/zinc/55/17/37/782551737.db2.gz OZKNBBNAWPOYER-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103619 782551743 /nfs/dbraw/zinc/55/17/43/782551743.db2.gz OZKNBBNAWPOYER-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001100105119 782551554 /nfs/dbraw/zinc/55/15/54/782551554.db2.gz FHSKVRSZDOVLEB-NEPJUHHUSA-N 1 1 324.385 -1.507 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103446 782551577 /nfs/dbraw/zinc/55/15/77/782551577.db2.gz MAQSPMVNNHYYNK-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103446 782551586 /nfs/dbraw/zinc/55/15/86/782551586.db2.gz MAQSPMVNNHYYNK-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](O)C1 ZINC001100102829 782551630 /nfs/dbraw/zinc/55/16/30/782551630.db2.gz BKTRXIXSZQXEES-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001100110441 782553628 /nfs/dbraw/zinc/55/36/28/782553628.db2.gz VUSSHUNISHWIFJ-UWVGGRQHSA-N 1 1 312.326 -1.535 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100109488 782554362 /nfs/dbraw/zinc/55/43/62/782554362.db2.gz GFRSSZTXPCMORQ-KBPBESRZSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109488 782554369 /nfs/dbraw/zinc/55/43/69/782554369.db2.gz GFRSSZTXPCMORQ-KBPBESRZSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100109588 782554297 /nfs/dbraw/zinc/55/42/97/782554297.db2.gz HOIYADMASWJEND-AAEUAGOBSA-N 1 1 312.370 -1.406 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100109590 782555051 /nfs/dbraw/zinc/55/50/51/782555051.db2.gz HOIYADMASWJEND-WCQYABFASA-N 1 1 312.370 -1.406 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100109589 782555610 /nfs/dbraw/zinc/55/56/10/782555610.db2.gz HOIYADMASWJEND-DGCLKSJQSA-N 1 1 312.370 -1.406 20 0 DAADMO CCNC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110581 782555261 /nfs/dbraw/zinc/55/52/61/782555261.db2.gz YCBPQHXKGNAPOV-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001100117900 782556766 /nfs/dbraw/zinc/55/67/66/782556766.db2.gz RAWXRJWOSZDMJV-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100121883 782557247 /nfs/dbraw/zinc/55/72/47/782557247.db2.gz IFKKEWYACQSWOI-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001100117887 782557279 /nfs/dbraw/zinc/55/72/79/782557279.db2.gz QYFYZYYIXWWJGW-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117986 782557355 /nfs/dbraw/zinc/55/73/55/782557355.db2.gz SIBMIWZECZHQEQ-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001100117890 782558053 /nfs/dbraw/zinc/55/80/53/782558053.db2.gz QYFYZYYIXWWJGW-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100131340 782558783 /nfs/dbraw/zinc/55/87/83/782558783.db2.gz BPWNZYCBMHTOEA-OLZOCXBDSA-N 1 1 314.430 -1.034 20 0 DAADMO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100134777 782559886 /nfs/dbraw/zinc/55/98/86/782559886.db2.gz WIBLGWOHAZMSRW-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100143139 782561848 /nfs/dbraw/zinc/56/18/48/782561848.db2.gz OQDRTCNTNZUELD-VXGBXAGGSA-N 1 1 317.386 -1.798 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143616 782562352 /nfs/dbraw/zinc/56/23/52/782562352.db2.gz XGQGYTIZXRXPBO-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143616 782562361 /nfs/dbraw/zinc/56/23/61/782562361.db2.gz XGQGYTIZXRXPBO-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CCC(=O)NCC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100187913 782563484 /nfs/dbraw/zinc/56/34/84/782563484.db2.gz RPZHDWZDAUAOMX-UHFFFAOYSA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001100403719 782572855 /nfs/dbraw/zinc/57/28/55/782572855.db2.gz WODYUDPCVUUUJY-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475236 782577133 /nfs/dbraw/zinc/57/71/33/782577133.db2.gz JJGDLGYAWPQJKN-UHFFFAOYSA-N 1 1 316.387 -1.548 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100564487 782577853 /nfs/dbraw/zinc/57/78/53/782577853.db2.gz GTLLRNORUMFOJV-IDKOKCKLSA-N 1 1 309.374 -1.294 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001100849861 782584585 /nfs/dbraw/zinc/58/45/85/782584585.db2.gz BUAWYYSEOYTDBX-RTBKNWGFSA-N 1 1 320.353 -1.363 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001100849862 782584843 /nfs/dbraw/zinc/58/48/43/782584843.db2.gz BUAWYYSEOYTDBX-UDNWOFFPSA-N 1 1 320.353 -1.363 20 0 DAADMO NC(=O)C(=O)NCc1cc(O[C@@H]2CC[N@@H+](CCO)C2)ccn1 ZINC001101095807 782590326 /nfs/dbraw/zinc/59/03/26/782590326.db2.gz RDWVDEXBYZWULY-GFCCVEGCSA-N 1 1 308.338 -1.372 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@]2(C)C1 ZINC001101111110 782590559 /nfs/dbraw/zinc/59/05/59/782590559.db2.gz WEBCXCGSHVEPPT-NFAWXSAZSA-N 1 1 313.398 -1.090 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)CC1 ZINC001101391428 782594843 /nfs/dbraw/zinc/59/48/43/782594843.db2.gz ATRXFWKROGJYMO-YGRLFVJLSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001101346028 782595666 /nfs/dbraw/zinc/59/56/66/782595666.db2.gz RVWGBSUERIZRRC-YPMHNXCESA-N 1 1 319.427 -1.172 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](CCF)C[C@@]2(C)C1 ZINC001101313920 782595829 /nfs/dbraw/zinc/59/58/29/782595829.db2.gz OMVHYMHWRYWEIW-PWSUYJOCSA-N 1 1 322.406 -1.210 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101346166 782596006 /nfs/dbraw/zinc/59/60/06/782596006.db2.gz YJCQPEJWGPGCQE-ABAIWWIYSA-N 1 1 308.382 -1.222 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](C[C@H](C)O)C2)n2ccnc21 ZINC001101604182 782596782 /nfs/dbraw/zinc/59/67/82/782596782.db2.gz PBAABBXGVCHJCF-CMPLNLGQSA-N 1 1 321.381 -1.028 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604174 782597000 /nfs/dbraw/zinc/59/70/00/782597000.db2.gz ORIPGPFLZAZHTO-PWSUYJOCSA-N 1 1 321.381 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604030 782597222 /nfs/dbraw/zinc/59/72/22/782597222.db2.gz LORYQUYGKYMFIL-LLVKDONJSA-N 1 1 307.354 -1.417 20 0 DAADMO CN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101538431 782597664 /nfs/dbraw/zinc/59/76/64/782597664.db2.gz XPLHWULECBINMA-SNVBAGLBSA-N 1 1 320.357 -1.280 20 0 DAADMO CN(CCNc1ccc2nnnn2n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101538431 782597672 /nfs/dbraw/zinc/59/76/72/782597672.db2.gz XPLHWULECBINMA-SNVBAGLBSA-N 1 1 320.357 -1.280 20 0 DAADMO COCC(=O)NCCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101258760 782591541 /nfs/dbraw/zinc/59/15/41/782591541.db2.gz JBZMVJRJMSNDAX-DOMZBBRYSA-N 1 1 313.398 -1.088 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101237592 782591651 /nfs/dbraw/zinc/59/16/51/782591651.db2.gz ZOCUFZAKASLDDS-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@]2(C)C1 ZINC001101136213 782592263 /nfs/dbraw/zinc/59/22/63/782592263.db2.gz OLTUJSNDVWJPMX-DOMZBBRYSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101123112 782592359 /nfs/dbraw/zinc/59/23/59/782592359.db2.gz MXKSDYNNCCGANE-RISCZKNCSA-N 1 1 314.386 -1.556 20 0 DAADMO CN(CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1)S(C)(=O)=O ZINC001101257001 782592581 /nfs/dbraw/zinc/59/25/81/782592581.db2.gz CEBORNLHCHJDCQ-YPMHNXCESA-N 1 1 319.427 -1.350 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101257038 782592749 /nfs/dbraw/zinc/59/27/49/782592749.db2.gz DRXPVLWGSILVHP-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101123250 782593093 /nfs/dbraw/zinc/59/30/93/782593093.db2.gz SQMZLEVZDCZHDJ-RULNRJAQSA-N 1 1 311.386 -1.431 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101247711 782593110 /nfs/dbraw/zinc/59/31/10/782593110.db2.gz PYFYHGPAMAXCGJ-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(=O)OC)C[C@]2(C)C1 ZINC001101143925 782593300 /nfs/dbraw/zinc/59/33/00/782593300.db2.gz ASAFSNCNOKGVTC-YGRLFVJLSA-N 1 1 312.370 -1.131 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101610742 782598311 /nfs/dbraw/zinc/59/83/11/782598311.db2.gz VWGRTZWTEZRQAI-LBPRGKRZSA-N 1 1 321.381 -1.074 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618993 782598847 /nfs/dbraw/zinc/59/88/47/782598847.db2.gz LVLUYSROVSXRLH-UWVGGRQHSA-N 1 1 307.354 -1.289 20 0 DAADMO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618887 782598882 /nfs/dbraw/zinc/59/88/82/782598882.db2.gz JMPXMFNCDGLXGT-SNVBAGLBSA-N 1 1 307.354 -1.023 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101604215 782598997 /nfs/dbraw/zinc/59/89/97/782598997.db2.gz PTOQQDBHPMAMJA-LBPRGKRZSA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101623658 782599102 /nfs/dbraw/zinc/59/91/02/782599102.db2.gz IHWUUBNHJYLGEZ-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101658122 782599542 /nfs/dbraw/zinc/59/95/42/782599542.db2.gz GMOVYJDYBIXXII-OPRDCNLKSA-N 1 1 300.359 -1.100 20 0 DAADMO CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001101640471 782599607 /nfs/dbraw/zinc/59/96/07/782599607.db2.gz AUWLBKQFXPVRJN-JTQLQIEISA-N 1 1 307.354 -1.023 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101652958 782599973 /nfs/dbraw/zinc/59/99/73/782599973.db2.gz XASJHPDMUMRPIQ-SNVBAGLBSA-N 1 1 322.369 -1.494 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101684397 782600184 /nfs/dbraw/zinc/60/01/84/782600184.db2.gz DBPYPKYNVYGBMD-JLLWLGSASA-N 1 1 324.381 -1.388 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001101641372 782600988 /nfs/dbraw/zinc/60/09/88/782600988.db2.gz OOQCRILUMJWCCE-ZJUUUORDSA-N 1 1 323.353 -2.052 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CC(N)=O ZINC001101842750 782604051 /nfs/dbraw/zinc/60/40/51/782604051.db2.gz TYQGBJLJMOQVKE-RKDXNWHRSA-N 1 1 310.358 -1.832 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101774445 782602055 /nfs/dbraw/zinc/60/20/55/782602055.db2.gz NDOZFWKDIQODKX-OPRDCNLKSA-N 1 1 300.359 -1.100 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714999 782602178 /nfs/dbraw/zinc/60/21/78/782602178.db2.gz XHEDOKIQQJWJNL-RKDXNWHRSA-N 1 1 324.345 -2.448 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711941 782602448 /nfs/dbraw/zinc/60/24/48/782602448.db2.gz JXQXTPXSXILXCQ-GMTAPVOTSA-N 1 1 311.386 -1.431 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715544 782602616 /nfs/dbraw/zinc/60/26/16/782602616.db2.gz CEDJWRZWWKOMSX-MXWKQRLJSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716758 782603195 /nfs/dbraw/zinc/60/31/95/782603195.db2.gz IVXAIYGOOWRDOI-GHMZBOCLSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717358 782603239 /nfs/dbraw/zinc/60/32/39/782603239.db2.gz YGGXCCXGTXZDFT-GMTAPVOTSA-N 1 1 307.358 -1.754 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976564 782607970 /nfs/dbraw/zinc/60/79/70/782607970.db2.gz IBZZDNXQKITING-MXWKQRLJSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnnn1C ZINC001101926445 782608432 /nfs/dbraw/zinc/60/84/32/782608432.db2.gz ZGFPNYBIRZCYDO-RKDXNWHRSA-N 1 1 323.357 -1.692 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979716 782608489 /nfs/dbraw/zinc/60/84/89/782608489.db2.gz CSOPLVFYGUKJKK-NXEZZACHSA-N 1 1 306.330 -1.060 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979716 782608495 /nfs/dbraw/zinc/60/84/95/782608495.db2.gz CSOPLVFYGUKJKK-NXEZZACHSA-N 1 1 306.330 -1.060 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001101783471 782604809 /nfs/dbraw/zinc/60/48/09/782604809.db2.gz WNSYIEXBRBPVHH-VXGBXAGGSA-N 1 1 322.427 -1.276 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838714 782604873 /nfs/dbraw/zinc/60/48/73/782604873.db2.gz PIPASRWVBVYHGS-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893877 782606092 /nfs/dbraw/zinc/60/60/92/782606092.db2.gz VQVQDKAHHMRLFL-KXUCPTDWSA-N 1 1 310.358 -1.458 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001101908080 782607315 /nfs/dbraw/zinc/60/73/15/782607315.db2.gz BSTHFJAHMLHKQT-NXEZZACHSA-N 1 1 324.385 -1.571 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001102021395 782609960 /nfs/dbraw/zinc/60/99/60/782609960.db2.gz OMCHNWPVLRJQCF-GMTAPVOTSA-N 1 1 324.381 -1.307 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001101984584 782610228 /nfs/dbraw/zinc/61/02/28/782610228.db2.gz CEOOSVRGENERFZ-RKDXNWHRSA-N 1 1 323.357 -2.454 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102017562 782610681 /nfs/dbraw/zinc/61/06/81/782610681.db2.gz HBHLRQCEPDTXMB-VXGBXAGGSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC001101985057 782610709 /nfs/dbraw/zinc/61/07/09/782610709.db2.gz YJDZXFJRKVOADS-GMTAPVOTSA-N 1 1 324.385 -1.558 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102017714 782610890 /nfs/dbraw/zinc/61/08/90/782610890.db2.gz OLHUAYYVQAKZEE-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2nccn2)[C@H](C)C1 ZINC001102007527 782611123 /nfs/dbraw/zinc/61/11/23/782611123.db2.gz ALAKDIABFRJXLL-JHJVBQTASA-N 1 1 311.386 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOC)C[C@H]1C ZINC001102189673 782613488 /nfs/dbraw/zinc/61/34/88/782613488.db2.gz GAWDPCZGJYQIEG-GHMZBOCLSA-N 1 1 322.431 -1.629 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001102108510 782612231 /nfs/dbraw/zinc/61/22/31/782612231.db2.gz PWZRNLIXADQYJT-CHWSQXEVSA-N 1 1 312.414 -1.563 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001102024814 782613574 /nfs/dbraw/zinc/61/35/74/782613574.db2.gz OVRQIFGEQSOONP-GMTAPVOTSA-N 1 1 313.402 -1.266 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102210737 782612860 /nfs/dbraw/zinc/61/28/60/782612860.db2.gz OFUVFDIONSSHRX-VXNVDRBHSA-N 1 1 323.357 -1.394 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001102108242 782613280 /nfs/dbraw/zinc/61/32/80/782613280.db2.gz CDIBPMCUPIVHCP-NXEZZACHSA-N 1 1 310.358 -2.249 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980095 782609082 /nfs/dbraw/zinc/60/90/82/782609082.db2.gz MNWURYFVLCODMI-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001102414461 782616980 /nfs/dbraw/zinc/61/69/80/782616980.db2.gz FKCGSURCKVVVRM-GHMZBOCLSA-N 1 1 322.431 -1.941 20 0 DAADMO CNC(=O)CN1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102510958 782617265 /nfs/dbraw/zinc/61/72/65/782617265.db2.gz CTJAQBACVYPFAL-CHWSQXEVSA-N 1 1 314.430 -1.005 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102480050 782617316 /nfs/dbraw/zinc/61/73/16/782617316.db2.gz UZJQWBLDSNAEBO-GRYCIOLGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC001102473145 782617627 /nfs/dbraw/zinc/61/76/27/782617627.db2.gz MBFFVAXHLVQZBL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001102473145 782617631 /nfs/dbraw/zinc/61/76/31/782617631.db2.gz MBFFVAXHLVQZBL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001102473145 782617635 /nfs/dbraw/zinc/61/76/35/782617635.db2.gz MBFFVAXHLVQZBL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001102406148 782618032 /nfs/dbraw/zinc/61/80/32/782618032.db2.gz FAZCSXCLYGVPDB-NXEZZACHSA-N 1 1 322.369 -1.169 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)COCc1nncn1C ZINC001102491902 782618178 /nfs/dbraw/zinc/61/81/78/782618178.db2.gz ORMPINALFLEQSF-GHMZBOCLSA-N 1 1 324.385 -1.499 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479410 782618254 /nfs/dbraw/zinc/61/82/54/782618254.db2.gz PDGYGFIEXYUVKB-OUAUKWLOSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN1CCC(=O)NC1=O ZINC001102499410 782618467 /nfs/dbraw/zinc/61/84/67/782618467.db2.gz HPCGSIUFKSQVHO-GHMZBOCLSA-N 1 1 312.370 -1.395 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001102057432 782613739 /nfs/dbraw/zinc/61/37/39/782613739.db2.gz MDVXCPRSDOTXCL-MXWKQRLJSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318621 782614499 /nfs/dbraw/zinc/61/44/99/782614499.db2.gz BEMBWFQSIYELMI-GHMZBOCLSA-N 1 1 313.402 -1.183 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306519 782614550 /nfs/dbraw/zinc/61/45/50/782614550.db2.gz XOZWSUZHASFGLG-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241221 782615189 /nfs/dbraw/zinc/61/51/89/782615189.db2.gz KOLAHFQERMHLPY-MXWKQRLJSA-N 1 1 312.374 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102306231 782615290 /nfs/dbraw/zinc/61/52/90/782615290.db2.gz LMNSUMYNOQUCCS-RKDXNWHRSA-N 1 1 311.342 -2.292 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304773 782615839 /nfs/dbraw/zinc/61/58/39/782615839.db2.gz WOQATCTWSGYPGE-ZYHUDNBSSA-N 1 1 314.386 -1.692 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)C(N)=O ZINC001102306072 782615860 /nfs/dbraw/zinc/61/58/60/782615860.db2.gz FAXZMABKRYAEID-MXWKQRLJSA-N 1 1 306.370 -1.065 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001102241393 782616044 /nfs/dbraw/zinc/61/60/44/782616044.db2.gz RWJHIKMTHMTAHD-GHMZBOCLSA-N 1 1 312.374 -1.483 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC001102557601 782621401 /nfs/dbraw/zinc/62/14/01/782621401.db2.gz FTFIFASPPKFZJU-GMTAPVOTSA-N 1 1 312.370 -1.397 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CN(C)CCO1 ZINC001102819632 782622133 /nfs/dbraw/zinc/62/21/33/782622133.db2.gz YAVRIEPADNVFLH-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CN=NC2=O)C1 ZINC001102887813 782622725 /nfs/dbraw/zinc/62/27/25/782622725.db2.gz CPDKDTRQJULZPC-GHMZBOCLSA-N 1 1 324.385 -1.196 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CN=NC1=O ZINC001102889704 782622837 /nfs/dbraw/zinc/62/28/37/782622837.db2.gz MYBVEVWJISKMJE-NXEZZACHSA-N 1 1 310.358 -1.457 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802247 782623480 /nfs/dbraw/zinc/62/34/80/782623480.db2.gz ZSMFGRMRJBIEBY-RKDXNWHRSA-N 1 1 313.358 -1.869 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001102904966 782623533 /nfs/dbraw/zinc/62/35/33/782623533.db2.gz DCZFOLQBTPRIBE-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001102622965 782623564 /nfs/dbraw/zinc/62/35/64/782623564.db2.gz NHZSZUFMEPUDSM-OPRDCNLKSA-N 1 1 310.354 -1.791 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102801867 782623582 /nfs/dbraw/zinc/62/35/82/782623582.db2.gz JAADLONCTKHYJG-IJLUTSLNSA-N 1 1 301.387 -1.057 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991530 782624040 /nfs/dbraw/zinc/62/40/40/782624040.db2.gz QPPKWSQLVDNVMT-GMTAPVOTSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C1CS(=O)(=O)C1 ZINC001103026445 782624179 /nfs/dbraw/zinc/62/41/79/782624179.db2.gz NFSMRARVVPCBKU-NXEZZACHSA-N 1 1 317.411 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C1CS(=O)(=O)C1 ZINC001103026445 782624188 /nfs/dbraw/zinc/62/41/88/782624188.db2.gz NFSMRARVVPCBKU-NXEZZACHSA-N 1 1 317.411 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN1CCOCC1=O ZINC001103092853 782624703 /nfs/dbraw/zinc/62/47/03/782624703.db2.gz OOTNOIMJIDVTIQ-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)Cn1ncn(C)c1=O ZINC001103165216 782624931 /nfs/dbraw/zinc/62/49/31/782624931.db2.gz RFIBMWQFQCTJEL-GHMZBOCLSA-N 1 1 324.385 -1.859 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001102593330 782619802 /nfs/dbraw/zinc/61/98/02/782619802.db2.gz PXSSWVXMPZYBSG-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC001102564493 782620106 /nfs/dbraw/zinc/62/01/06/782620106.db2.gz UMGHCXIGHIXDMC-GHMZBOCLSA-N 1 1 324.381 -1.435 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC001102519769 782620395 /nfs/dbraw/zinc/62/03/95/782620395.db2.gz JFCOJNKOFJGCOT-LPWJVIDDSA-N 1 1 313.398 -1.044 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC001102540683 782620683 /nfs/dbraw/zinc/62/06/83/782620683.db2.gz RWLBWQHYEYCBDN-MWLCHTKSSA-N 1 1 324.385 -1.940 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102564451 782620706 /nfs/dbraw/zinc/62/07/06/782620706.db2.gz RJSYUQIFNDVCFS-GMTAPVOTSA-N 1 1 313.402 -1.007 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102530760 782620759 /nfs/dbraw/zinc/62/07/59/782620759.db2.gz IBVRRCRZINVAJN-GMTAPVOTSA-N 1 1 313.402 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001102537459 782620916 /nfs/dbraw/zinc/62/09/16/782620916.db2.gz RVWFIBZPFSXQKF-GHMZBOCLSA-N 1 1 307.416 -1.446 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN1CCNC(=O)C1 ZINC001103309496 782625826 /nfs/dbraw/zinc/62/58/26/782625826.db2.gz ZINBEDKLQZKPLY-CHWSQXEVSA-N 1 1 312.414 -1.515 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN1CC(=O)NC1=O ZINC001103543926 782626033 /nfs/dbraw/zinc/62/60/33/782626033.db2.gz ABQHIOHZCSFXEJ-GHMZBOCLSA-N 1 1 312.370 -1.395 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001103317018 782626111 /nfs/dbraw/zinc/62/61/11/782626111.db2.gz XWXNBZOBQUNHCC-UTUOFQBUSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103471125 782626297 /nfs/dbraw/zinc/62/62/97/782626297.db2.gz ZILGUGSEHGBZNF-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1c[nH]c(=O)cn1 ZINC001103374534 782626688 /nfs/dbraw/zinc/62/66/88/782626688.db2.gz HIFYRAFFZYBEQM-NXEZZACHSA-N 1 1 307.354 -1.057 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103389101 782626862 /nfs/dbraw/zinc/62/68/62/782626862.db2.gz DYBSKBNTKNISBL-OPRDCNLKSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103389101 782626867 /nfs/dbraw/zinc/62/68/67/782626867.db2.gz DYBSKBNTKNISBL-OPRDCNLKSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391432 782627203 /nfs/dbraw/zinc/62/72/03/782627203.db2.gz FPFLEVWUWKAFAM-IWSPIJDZSA-N 1 1 313.358 -1.871 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111586148 782631725 /nfs/dbraw/zinc/63/17/25/782631725.db2.gz JPRUCIWYGBEYGJ-BONVTDFDSA-N 1 1 323.397 -1.096 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586434 782632035 /nfs/dbraw/zinc/63/20/35/782632035.db2.gz WPCSELNNFXFORL-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111722224 782633153 /nfs/dbraw/zinc/63/31/53/782633153.db2.gz FAYIPGRVQZGHQJ-PGUXBMHVSA-N 1 1 308.382 -1.018 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111768055 782633341 /nfs/dbraw/zinc/63/33/41/782633341.db2.gz MTWZSUUMZAEJJN-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111821411 782633525 /nfs/dbraw/zinc/63/35/25/782633525.db2.gz UBRQYRUUQLVDCH-JQWIXIFHSA-N 1 1 320.415 -1.997 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111973591 782634483 /nfs/dbraw/zinc/63/44/83/782634483.db2.gz VWJGKOJEGZWHNV-RWSFTLGLSA-N 1 1 324.381 -1.062 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001114986563 782637403 /nfs/dbraw/zinc/63/74/03/782637403.db2.gz IDCZMLOWXXNGBP-PJXYFTJBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857052 782634737 /nfs/dbraw/zinc/63/47/37/782634737.db2.gz SQEBFMBFIKCEOA-UJVNDKKSSA-N 1 1 311.342 -1.974 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857052 782634740 /nfs/dbraw/zinc/63/47/40/782634740.db2.gz SQEBFMBFIKCEOA-UJVNDKKSSA-N 1 1 311.342 -1.974 20 0 DAADMO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155666 782634765 /nfs/dbraw/zinc/63/47/65/782634765.db2.gz CRVMKHIYAHDQLW-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112038492 782634920 /nfs/dbraw/zinc/63/49/20/782634920.db2.gz COFGNUGHSWSQHC-HTQZYQBOSA-N 1 1 310.276 -1.413 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111961031 782635253 /nfs/dbraw/zinc/63/52/53/782635253.db2.gz DYJNQCXIWFDZKD-AAEUAGOBSA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114961009 782636430 /nfs/dbraw/zinc/63/64/30/782636430.db2.gz XYJSMEBVKQLGAA-FJJYHAOUSA-N 1 1 311.382 -1.290 20 0 DAADMO COCCCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115103150 782642924 /nfs/dbraw/zinc/64/29/24/782642924.db2.gz FIHSQYKRDWIDEQ-JYAVWHMHSA-N 1 1 313.398 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115038474 782640223 /nfs/dbraw/zinc/64/02/23/782640223.db2.gz MHQNDFMHPWFGMG-WHOHXGKFSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(=O)NCC2CC2)C1=O ZINC001115038125 782640254 /nfs/dbraw/zinc/64/02/54/782640254.db2.gz IKVPNZGXKIDFDV-QNWHQSFQSA-N 1 1 320.393 -1.210 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nonc1C ZINC001115047232 782640473 /nfs/dbraw/zinc/64/04/73/782640473.db2.gz WPQKIWDLXRXMCH-PUHVVEEASA-N 1 1 310.354 -1.026 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115041362 782640573 /nfs/dbraw/zinc/64/05/73/782640573.db2.gz ISDFPFHULBNKDU-BDINMYNLSA-N 1 1 308.260 -1.803 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115041362 782640576 /nfs/dbraw/zinc/64/05/76/782640576.db2.gz ISDFPFHULBNKDU-BDINMYNLSA-N 1 1 308.260 -1.803 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115056388 782641271 /nfs/dbraw/zinc/64/12/71/782641271.db2.gz ZOJANXCISKCPAY-YABSGUDNSA-N 1 1 309.370 -1.240 20 0 DAADMO COCCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115096767 782641326 /nfs/dbraw/zinc/64/13/26/782641326.db2.gz UIQXDMOACQNPNA-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO O=C(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)NCC1CC1 ZINC001115094314 782641407 /nfs/dbraw/zinc/64/14/07/782641407.db2.gz RXGAWTJOZCMEBZ-OZTPJHRESA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(CCCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115077024 782641575 /nfs/dbraw/zinc/64/15/75/782641575.db2.gz RMZNMEPJPVORMA-CZXHOFHRSA-N 1 1 318.381 -1.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1cscn1 ZINC001115083625 782641808 /nfs/dbraw/zinc/64/18/08/782641808.db2.gz ORBBBBWRRSCAKW-JDICNCQASA-N 1 1 323.378 -1.595 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1cscn1 ZINC001115083625 782641814 /nfs/dbraw/zinc/64/18/14/782641814.db2.gz ORBBBBWRRSCAKW-JDICNCQASA-N 1 1 323.378 -1.595 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115105630 782642436 /nfs/dbraw/zinc/64/24/36/782642436.db2.gz IMGMVYHPNCPAMN-UKKRHICBSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115105630 782642442 /nfs/dbraw/zinc/64/24/42/782642442.db2.gz IMGMVYHPNCPAMN-UKKRHICBSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115116311 782642466 /nfs/dbraw/zinc/64/24/66/782642466.db2.gz LGLWJMCEUHKVOT-OZWUEAAUSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115116311 782642472 /nfs/dbraw/zinc/64/24/72/782642472.db2.gz LGLWJMCEUHKVOT-OZWUEAAUSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115121236 782642659 /nfs/dbraw/zinc/64/26/59/782642659.db2.gz NIBWUAVGXNHIOX-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115121236 782642664 /nfs/dbraw/zinc/64/26/64/782642664.db2.gz NIBWUAVGXNHIOX-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115103257 782642780 /nfs/dbraw/zinc/64/27/80/782642780.db2.gz HATQRYCYONOCIU-HBYGRHMLSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115103257 782642786 /nfs/dbraw/zinc/64/27/86/782642786.db2.gz HATQRYCYONOCIU-HBYGRHMLSA-N 1 1 318.381 -1.080 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)c1 ZINC001115017729 782638366 /nfs/dbraw/zinc/63/83/66/782638366.db2.gz DZIDAWHSYDIJNC-PJXYFTJBSA-N 1 1 322.365 -1.218 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001115005489 782638455 /nfs/dbraw/zinc/63/84/55/782638455.db2.gz MUXJQHIOMKACQM-IMSYWVGJSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001115005489 782638460 /nfs/dbraw/zinc/63/84/60/782638460.db2.gz MUXJQHIOMKACQM-IMSYWVGJSA-N 1 1 318.337 -1.280 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114991685 782638474 /nfs/dbraw/zinc/63/84/74/782638474.db2.gz HHTRNIKRUKJLAX-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114991685 782638481 /nfs/dbraw/zinc/63/84/81/782638481.db2.gz HHTRNIKRUKJLAX-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994462 782638639 /nfs/dbraw/zinc/63/86/39/782638639.db2.gz NARKGDSCQISMIB-MBTKJCJQSA-N 1 1 315.355 -1.721 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994462 782638641 /nfs/dbraw/zinc/63/86/41/782638641.db2.gz NARKGDSCQISMIB-MBTKJCJQSA-N 1 1 315.355 -1.721 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033730 782639193 /nfs/dbraw/zinc/63/91/93/782639193.db2.gz QVMXCPOTIKRFAX-JZYVYDRUSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033730 782639195 /nfs/dbraw/zinc/63/91/95/782639195.db2.gz QVMXCPOTIKRFAX-JZYVYDRUSA-N 1 1 323.353 -2.246 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1)NC1CC1 ZINC001115033046 782639244 /nfs/dbraw/zinc/63/92/44/782639244.db2.gz FXGXASRZNZUGJJ-IMRBUKKESA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1)NC1CC1 ZINC001115033046 782639248 /nfs/dbraw/zinc/63/92/48/782639248.db2.gz FXGXASRZNZUGJJ-IMRBUKKESA-N 1 1 320.393 -1.162 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)nn1 ZINC001115031016 782639268 /nfs/dbraw/zinc/63/92/68/782639268.db2.gz PTMXAKDSVRNRPF-MEWQQHAOSA-N 1 1 309.370 -1.035 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001115018403 782639381 /nfs/dbraw/zinc/63/93/81/782639381.db2.gz RJZQBDBSWKQFJB-IWIIMEHWSA-N 1 1 319.365 -1.090 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001115018403 782639385 /nfs/dbraw/zinc/63/93/85/782639385.db2.gz RJZQBDBSWKQFJB-IWIIMEHWSA-N 1 1 319.365 -1.090 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)nn1 ZINC001115031013 782639395 /nfs/dbraw/zinc/63/93/95/782639395.db2.gz PTMXAKDSVRNRPF-DCQANWLSSA-N 1 1 309.370 -1.035 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001115030984 782639440 /nfs/dbraw/zinc/63/94/40/782639440.db2.gz PEVKMTVIQUZAHN-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001115030984 782639443 /nfs/dbraw/zinc/63/94/43/782639443.db2.gz PEVKMTVIQUZAHN-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115018589 782639494 /nfs/dbraw/zinc/63/94/94/782639494.db2.gz VAHQZFKCAVOUFN-SRRSOLGSSA-N 1 1 319.369 -1.612 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018211 782639565 /nfs/dbraw/zinc/63/95/65/782639565.db2.gz OJLOYLSBCRTKCY-DCQANWLSSA-N 1 1 310.358 -1.883 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115025955 782639675 /nfs/dbraw/zinc/63/96/75/782639675.db2.gz QTXOXAQUFGZUFT-RULNZFCNSA-N 1 1 322.287 -1.415 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115187666 782644938 /nfs/dbraw/zinc/64/49/38/782644938.db2.gz CUUIMBBBQHXWRN-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccco1 ZINC001115213434 782645677 /nfs/dbraw/zinc/64/56/77/782645677.db2.gz WCWFNYJUIXMAPQ-MSRIBSCDSA-N 1 1 320.349 -1.069 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccco1 ZINC001115213434 782645683 /nfs/dbraw/zinc/64/56/83/782645683.db2.gz WCWFNYJUIXMAPQ-MSRIBSCDSA-N 1 1 320.349 -1.069 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115214284 782645893 /nfs/dbraw/zinc/64/58/93/782645893.db2.gz FYEDSUPXWRKPHE-YABSGUDNSA-N 1 1 306.370 -1.151 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115214284 782645895 /nfs/dbraw/zinc/64/58/95/782645895.db2.gz FYEDSUPXWRKPHE-YABSGUDNSA-N 1 1 306.370 -1.151 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209038 782645910 /nfs/dbraw/zinc/64/59/10/782645910.db2.gz OVYZRSZZWYTBBU-WYOJIJJFSA-N 1 1 321.341 -2.092 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209038 782645914 /nfs/dbraw/zinc/64/59/14/782645914.db2.gz OVYZRSZZWYTBBU-WYOJIJJFSA-N 1 1 321.341 -2.092 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115217004 782645934 /nfs/dbraw/zinc/64/59/34/782645934.db2.gz MQHVDJRNHTVDQZ-YABSGUDNSA-N 1 1 323.397 -1.383 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115217004 782645936 /nfs/dbraw/zinc/64/59/36/782645936.db2.gz MQHVDJRNHTVDQZ-YABSGUDNSA-N 1 1 323.397 -1.383 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC001115213249 782646022 /nfs/dbraw/zinc/64/60/22/782646022.db2.gz ROIDYNPIJFOHQT-YABSGUDNSA-N 1 1 324.381 -1.037 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115219148 782646454 /nfs/dbraw/zinc/64/64/54/782646454.db2.gz RIWNKUGWPMTHOT-KLBPJQLPSA-N 1 1 309.370 -1.630 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115218956 782646716 /nfs/dbraw/zinc/64/67/16/782646716.db2.gz NNYJBDGSVKQBIK-IWIIMEHWSA-N 1 1 310.354 -1.643 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115219348 782646891 /nfs/dbraw/zinc/64/68/91/782646891.db2.gz VURFQNLCJWKBJX-PJXYFTJBSA-N 1 1 321.385 -1.097 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115219348 782646894 /nfs/dbraw/zinc/64/68/94/782646894.db2.gz VURFQNLCJWKBJX-PJXYFTJBSA-N 1 1 321.385 -1.097 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CNC1=O ZINC001115218984 782646904 /nfs/dbraw/zinc/64/69/04/782646904.db2.gz ODYYZPCYNILUGR-PUHVVEEASA-N 1 1 324.381 -1.254 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001115217480 782646978 /nfs/dbraw/zinc/64/69/78/782646978.db2.gz WCBJJNIIYMYKMS-YABSGUDNSA-N 1 1 323.397 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241256 782647442 /nfs/dbraw/zinc/64/74/42/782647442.db2.gz FEZOCEBSSVSMOJ-SVDPJWKOSA-N 1 1 309.370 -1.821 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115220897 782647706 /nfs/dbraw/zinc/64/77/06/782647706.db2.gz QYHWHGGAYTZYHE-IAZYJMLFSA-N 1 1 324.385 -1.884 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115123540 782643988 /nfs/dbraw/zinc/64/39/88/782643988.db2.gz RUWXTMGHELDIQR-URPMGSGRSA-N 1 1 311.386 -1.399 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115123540 782643993 /nfs/dbraw/zinc/64/39/93/782643993.db2.gz RUWXTMGHELDIQR-URPMGSGRSA-N 1 1 311.386 -1.399 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115292656 782649986 /nfs/dbraw/zinc/64/99/86/782649986.db2.gz SEXAIBBIXQXHBH-KZWBYHQPSA-N 1 1 322.369 -2.179 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115300351 782651041 /nfs/dbraw/zinc/65/10/41/782651041.db2.gz QBHBWSUCPJFGIY-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115300351 782651046 /nfs/dbraw/zinc/65/10/46/782651046.db2.gz QBHBWSUCPJFGIY-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115296429 782651262 /nfs/dbraw/zinc/65/12/62/782651262.db2.gz RYNWXYWOHCRFKI-KZVDOYCCSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCCO1 ZINC001115352393 782651908 /nfs/dbraw/zinc/65/19/08/782651908.db2.gz MHEFOIHPBVFTRM-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCCO1 ZINC001115352393 782651920 /nfs/dbraw/zinc/65/19/20/782651920.db2.gz MHEFOIHPBVFTRM-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115357082 782653352 /nfs/dbraw/zinc/65/33/52/782653352.db2.gz WEQDEWOCHLPFEX-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115357082 782653356 /nfs/dbraw/zinc/65/33/56/782653356.db2.gz WEQDEWOCHLPFEX-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001115350053 782652385 /nfs/dbraw/zinc/65/23/85/782652385.db2.gz MSKZYTDDAUBFRX-DEKYYXRVSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001115350053 782652388 /nfs/dbraw/zinc/65/23/88/782652388.db2.gz MSKZYTDDAUBFRX-DEKYYXRVSA-N 1 1 324.381 -1.797 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115359384 782652781 /nfs/dbraw/zinc/65/27/81/782652781.db2.gz WXRYAMSSYRLPBM-CXTNEJHOSA-N 1 1 323.397 -1.199 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115357985 782652802 /nfs/dbraw/zinc/65/28/02/782652802.db2.gz FEMWVEAWQKOKKL-JYAVWHMHSA-N 1 1 320.397 -1.070 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115357985 782652808 /nfs/dbraw/zinc/65/28/08/782652808.db2.gz FEMWVEAWQKOKKL-JYAVWHMHSA-N 1 1 320.397 -1.070 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001115248171 782648558 /nfs/dbraw/zinc/64/85/58/782648558.db2.gz SMWCMMZEKAUKNJ-KXNHARMFSA-N 1 1 317.411 -1.239 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115253488 782648652 /nfs/dbraw/zinc/64/86/52/782648652.db2.gz CHHHZOZHSHCZGC-KZWBYHQPSA-N 1 1 310.398 -1.059 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115253488 782648654 /nfs/dbraw/zinc/64/86/54/782648654.db2.gz CHHHZOZHSHCZGC-KZWBYHQPSA-N 1 1 310.398 -1.059 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21 ZINC001115249596 782648838 /nfs/dbraw/zinc/64/88/38/782648838.db2.gz HPPOZAASFUMCJD-MEWQQHAOSA-N 1 1 319.427 -1.257 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256623 782649720 /nfs/dbraw/zinc/64/97/20/782649720.db2.gz ZAVDZLHCQVLMJA-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256623 782649726 /nfs/dbraw/zinc/64/97/26/782649726.db2.gz ZAVDZLHCQVLMJA-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115291204 782649881 /nfs/dbraw/zinc/64/98/81/782649881.db2.gz ADTYNILEVCKMCC-YTWAJWBKSA-N 1 1 323.397 -1.371 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001116078814 782656744 /nfs/dbraw/zinc/65/67/44/782656744.db2.gz VZZWMSVAPPAAJM-LBPRGKRZSA-N 1 1 310.398 -1.225 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)C1 ZINC001116177811 782658637 /nfs/dbraw/zinc/65/86/37/782658637.db2.gz DPPSUDKWTUBCHO-BFVZDQMLSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)C1 ZINC001116177811 782658645 /nfs/dbraw/zinc/65/86/45/782658645.db2.gz DPPSUDKWTUBCHO-BFVZDQMLSA-N 1 1 310.354 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCCO1 ZINC001115352396 782653496 /nfs/dbraw/zinc/65/34/96/782653496.db2.gz MHEFOIHPBVFTRM-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCCO1 ZINC001115352396 782653502 /nfs/dbraw/zinc/65/35/02/782653502.db2.gz MHEFOIHPBVFTRM-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO Cn1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c(=O)[nH]c1=O ZINC001115894118 782654457 /nfs/dbraw/zinc/65/44/57/782654457.db2.gz YRMKKEOLZRKDQN-UHFFFAOYSA-N 1 1 309.370 -1.147 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001116393458 782661427 /nfs/dbraw/zinc/66/14/27/782661427.db2.gz IIEHWZOOLMSEES-QMMMGPOBSA-N 1 1 311.342 -1.105 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 ZINC001116617130 782664429 /nfs/dbraw/zinc/66/44/29/782664429.db2.gz WBRPXYYMSMOOSQ-KGLIPLIRSA-N 1 1 312.370 -1.062 20 0 DAADMO CN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001117046487 782672191 /nfs/dbraw/zinc/67/21/91/782672191.db2.gz VQCQYCJVLHHLFZ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCC(=O)NC(N)=O)C1 ZINC001116822361 782668261 /nfs/dbraw/zinc/66/82/61/782668261.db2.gz VMYUHUSNUPLZMI-QWRGUYRKSA-N 1 1 303.359 -1.083 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001117046486 782672353 /nfs/dbraw/zinc/67/23/53/782672353.db2.gz VQCQYCJVLHHLFZ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001117016539 782672629 /nfs/dbraw/zinc/67/26/29/782672629.db2.gz BWLLEPBJKQYZMS-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC(O)C1 ZINC001117178563 782678895 /nfs/dbraw/zinc/67/88/95/782678895.db2.gz QJLSEGBRDIXQSN-WTIISPKJSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CO)CN1CC[NH+](C)CC1 ZINC001117059905 782673778 /nfs/dbraw/zinc/67/37/78/782673778.db2.gz NTMSLZUXNLDNGU-OLZOCXBDSA-N 1 1 314.430 -1.175 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC001117095618 782674366 /nfs/dbraw/zinc/67/43/66/782674366.db2.gz AUYDMMKUBPYQNK-WDEREUQCSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCS(C)(=O)=O ZINC001117079227 782674628 /nfs/dbraw/zinc/67/46/28/782674628.db2.gz HFLTZINTNDXFOB-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001117097846 782675285 /nfs/dbraw/zinc/67/52/85/782675285.db2.gz YGSBEGOSJXUETG-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC(CO)C1)CN1CC[NH+](C)CC1 ZINC001117085848 782675304 /nfs/dbraw/zinc/67/53/04/782675304.db2.gz MVSIDQSWHRVHSW-GFCCVEGCSA-N 1 1 312.414 -1.563 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCc1nnnn1C1CC1)C1CC1 ZINC001117126669 782676537 /nfs/dbraw/zinc/67/65/37/782676537.db2.gz RMRFNBOCPKELIO-UHFFFAOYSA-N 1 1 307.358 -1.165 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC001117152663 782677711 /nfs/dbraw/zinc/67/77/11/782677711.db2.gz QRJOPXRUEDOQHE-CYBMUJFWSA-N 1 1 305.350 -1.386 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001117218367 782678371 /nfs/dbraw/zinc/67/83/71/782678371.db2.gz GMVCOUZACANDIU-JTQLQIEISA-N 1 1 322.431 -1.502 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001117275148 782679815 /nfs/dbraw/zinc/67/98/15/782679815.db2.gz SLBKQOIBHVFNQM-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(CC(C)(C)O)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001117358828 782686435 /nfs/dbraw/zinc/68/64/35/782686435.db2.gz CJJUOQXULUPLPV-LLVKDONJSA-N 1 1 300.403 -1.422 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001117359121 782687481 /nfs/dbraw/zinc/68/74/81/782687481.db2.gz GNALEXNCKFAGMD-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC[N@H+]1C ZINC001117359437 782688060 /nfs/dbraw/zinc/68/80/60/782688060.db2.gz KSMQXGCQXNOFOH-GMTAPVOTSA-N 1 1 311.386 -1.146 20 0 DAADMO COC(C)(C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001117418731 782690920 /nfs/dbraw/zinc/69/09/20/782690920.db2.gz GEMIMRNGHNWMFW-LLVKDONJSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC001117585702 782695394 /nfs/dbraw/zinc/69/53/94/782695394.db2.gz KEEXICROTUYCLK-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001117585702 782695396 /nfs/dbraw/zinc/69/53/96/782695396.db2.gz KEEXICROTUYCLK-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC001117605651 782696380 /nfs/dbraw/zinc/69/63/80/782696380.db2.gz IUUXLGKOIZDMPQ-GARJFASQSA-N 1 1 312.370 -1.654 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001118089329 782702767 /nfs/dbraw/zinc/70/27/67/782702767.db2.gz UWZQJCJHUKUXEQ-GFCCVEGCSA-N 1 1 308.448 -1.876 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](O)C[C@H](C)C1 ZINC001118066704 782703341 /nfs/dbraw/zinc/70/33/41/782703341.db2.gz BNEYBGQZHQJQFW-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001118325769 782713915 /nfs/dbraw/zinc/71/39/15/782713915.db2.gz JZSHYLMQZBMCPV-QNWHQSFQSA-N 1 1 310.398 -1.493 20 0 DAADMO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001118325770 782714319 /nfs/dbraw/zinc/71/43/19/782714319.db2.gz JZSHYLMQZBMCPV-ZDEQEGDKSA-N 1 1 310.398 -1.493 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]12CCOC2 ZINC001118394644 782717740 /nfs/dbraw/zinc/71/77/40/782717740.db2.gz GSAMJNHQLMTSIE-YWPYICTPSA-N 1 1 309.366 -1.345 20 0 DAADMO CC(C)(O)C1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118392159 782718266 /nfs/dbraw/zinc/71/82/66/782718266.db2.gz GIVKIORSCOSMSM-NWDGAFQWSA-N 1 1 311.382 -1.507 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CCOC2)C1=O ZINC001118395975 782718374 /nfs/dbraw/zinc/71/83/74/782718374.db2.gz XQRTZQMCIQOSRQ-ZWNOBZJWSA-N 1 1 301.343 -1.364 20 0 DAADMO CCN(C(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@H]1CC[N@@H+](C)C1 ZINC001118429033 782719617 /nfs/dbraw/zinc/71/96/17/782719617.db2.gz KVGPHYMRKPMJMN-NSHDSACASA-N 1 1 322.369 -1.141 20 0 DAADMO C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001118464368 782720453 /nfs/dbraw/zinc/72/04/53/782720453.db2.gz BEESYPSMFCGTAJ-OQMKEHIESA-N 1 1 323.393 -1.241 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001118494462 782722978 /nfs/dbraw/zinc/72/29/78/782722978.db2.gz GLBFAZZBXCNGFR-GFCCVEGCSA-N 1 1 324.381 -1.998 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC001118528161 782724457 /nfs/dbraw/zinc/72/44/57/782724457.db2.gz YFZPZCBJOAFDIT-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@H]1CC[N@@H+](C)C1 ZINC001118586104 782726975 /nfs/dbraw/zinc/72/69/75/782726975.db2.gz QQVDIVQFMQCSGX-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC001118616004 782728529 /nfs/dbraw/zinc/72/85/29/782728529.db2.gz FWBJDICLEILWRB-WOSRLPQWSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCNC1=O ZINC001118610248 782727745 /nfs/dbraw/zinc/72/77/45/782727745.db2.gz JTEMIHQWECDDHF-OLZOCXBDSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001118842385 782736610 /nfs/dbraw/zinc/73/66/10/782736610.db2.gz JUNIACMGEDUZFZ-ODXJTPSBSA-N 1 1 323.393 -1.364 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1=CC[N@H+](C)CC1 ZINC001118867638 782737874 /nfs/dbraw/zinc/73/78/74/782737874.db2.gz NBEBNMSKGRQVLW-AAEUAGOBSA-N 1 1 310.398 -1.142 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1=CC[N@@H+](C)CC1 ZINC001118867638 782737877 /nfs/dbraw/zinc/73/78/77/782737877.db2.gz NBEBNMSKGRQVLW-AAEUAGOBSA-N 1 1 310.398 -1.142 20 0 DAADMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cn(C)c1=O ZINC001118879430 782738381 /nfs/dbraw/zinc/73/83/81/782738381.db2.gz YXQYPAIXSBMDTR-GFCCVEGCSA-N 1 1 322.365 -1.185 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001118906240 782739855 /nfs/dbraw/zinc/73/98/55/782739855.db2.gz VTXFWASASAFOEA-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001118921564 782741299 /nfs/dbraw/zinc/74/12/99/782741299.db2.gz XRSSOCNKRUZKDF-UWVGGRQHSA-N 1 1 324.337 -1.926 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)CC[C@H]21 ZINC001119028242 782744680 /nfs/dbraw/zinc/74/46/80/782744680.db2.gz LMNQNEGYFHORJK-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)CC[C@@H]21 ZINC001119028241 782745001 /nfs/dbraw/zinc/74/50/01/782745001.db2.gz LMNQNEGYFHORJK-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@@H]21 ZINC001119103763 782747018 /nfs/dbraw/zinc/74/70/18/782747018.db2.gz OFFPDWGVNQSGIR-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001119126361 782748724 /nfs/dbraw/zinc/74/87/24/782748724.db2.gz REKNGLVOMZMSAP-REWJHTLYSA-N 1 1 324.425 -1.280 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC001119182526 782749561 /nfs/dbraw/zinc/74/95/61/782749561.db2.gz BNQRNVLULDKKKB-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084776 782750202 /nfs/dbraw/zinc/75/02/02/782750202.db2.gz ZDCMYNYNWHTWSB-VXGBXAGGSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084776 782750205 /nfs/dbraw/zinc/75/02/05/782750205.db2.gz ZDCMYNYNWHTWSB-VXGBXAGGSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)C(=O)Nc1cn(C)nn1)C[NH+]1CCOCC1 ZINC001119379641 782752559 /nfs/dbraw/zinc/75/25/59/782752559.db2.gz HTKURAFFYPIAKB-JTQLQIEISA-N 1 1 310.358 -1.162 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001119463684 782754425 /nfs/dbraw/zinc/75/44/25/782754425.db2.gz LOIMQDGXSHRZDA-CQSZACIVSA-N 1 1 324.425 -1.112 20 0 DAADMO Cn1nnc(CN2CC[NH+](CCCNC(=O)CC(N)=O)CC2)n1 ZINC001266259528 775119084 /nfs/dbraw/zinc/11/90/84/775119084.db2.gz HALLUGFLBVRKFD-UHFFFAOYSA-N 1 1 324.389 -2.291 20 0 DAADMO CC(=O)NCC(=O)NCCC[NH+]1CCN(Cc2cnon2)CC1 ZINC001266257071 775119113 /nfs/dbraw/zinc/11/91/13/775119113.db2.gz SQYLQEGNVREAKJ-UHFFFAOYSA-N 1 1 324.385 -1.170 20 0 DAADMO CCOCC(=O)NCCC[NH+]1CCN(CC(=O)NC)CC1 ZINC001266256965 775119683 /nfs/dbraw/zinc/11/96/83/775119683.db2.gz PHFASQKGXXGHCZ-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO Cn1ncc(CN2CC[NH+](CCCNC(=O)CC(N)=O)CC2)n1 ZINC001266260884 775119907 /nfs/dbraw/zinc/11/99/07/775119907.db2.gz XRYPHPOQHPOUFO-UHFFFAOYSA-N 1 1 323.401 -1.686 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266265015 775119963 /nfs/dbraw/zinc/11/99/63/775119963.db2.gz RTYRHHCWXMXEJA-UHFFFAOYSA-N 1 1 324.385 -1.353 20 0 DAADMO Cn1ncnc1CN1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001266259376 775120576 /nfs/dbraw/zinc/12/05/76/775120576.db2.gz AIYNNUOPBIUQIO-UHFFFAOYSA-N 1 1 323.401 -1.686 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001266272013 775121669 /nfs/dbraw/zinc/12/16/69/775121669.db2.gz VHAFWRZAFYYLKL-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO Cc1noc(CN2CC[NH+](CCCNC(=O)C(N)=O)CC2)n1 ZINC001266271098 775122085 /nfs/dbraw/zinc/12/20/85/775122085.db2.gz FNCZXXIGKDWDHY-UHFFFAOYSA-N 1 1 310.358 -1.513 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208339029 775123120 /nfs/dbraw/zinc/12/31/20/775123120.db2.gz PBGKZJHSFANXKZ-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208339029 775123125 /nfs/dbraw/zinc/12/31/25/775123125.db2.gz PBGKZJHSFANXKZ-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO Cc1n[nH]cc1S(=O)(=O)NCC[N@@H+](C)CCOCCO ZINC001213512639 775123277 /nfs/dbraw/zinc/12/32/77/775123277.db2.gz RSGMCBFBPKXWDC-UHFFFAOYSA-N 1 1 306.388 -1.063 20 0 DAADMO Cc1n[nH]cc1S(=O)(=O)NCC[N@H+](C)CCOCCO ZINC001213512639 775123285 /nfs/dbraw/zinc/12/32/85/775123285.db2.gz RSGMCBFBPKXWDC-UHFFFAOYSA-N 1 1 306.388 -1.063 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266301097 775126611 /nfs/dbraw/zinc/12/66/11/775126611.db2.gz CJVHIPWTRHKTPY-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001266301097 775126617 /nfs/dbraw/zinc/12/66/17/775126617.db2.gz CJVHIPWTRHKTPY-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266310261 775127752 /nfs/dbraw/zinc/12/77/52/775127752.db2.gz FQJXYTJGNMJHFI-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266310261 775127757 /nfs/dbraw/zinc/12/77/57/775127757.db2.gz FQJXYTJGNMJHFI-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[N@@H+](CCNC(=O)C(N)=O)C[C@@H](O)COCC(F)(F)F ZINC001266315968 775128375 /nfs/dbraw/zinc/12/83/75/775128375.db2.gz MEAWXPPNNPPOGQ-SSDOTTSWSA-N 1 1 301.265 -1.541 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266320872 775129347 /nfs/dbraw/zinc/12/93/47/775129347.db2.gz HZAIXSKBYQVVAB-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001266319507 775129556 /nfs/dbraw/zinc/12/95/56/775129556.db2.gz MYASJAGVOHFTLT-OLZOCXBDSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC001282448363 775129665 /nfs/dbraw/zinc/12/96/65/775129665.db2.gz ACPVHLPTPPPSHI-MRVPVSSYSA-N 1 1 313.358 -1.761 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)c1ccn2nnnc2c1 ZINC001266333470 775131192 /nfs/dbraw/zinc/13/11/92/775131192.db2.gz NUNIVZGHHKEKHG-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO COC[C@@H](OC)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266324083 775131562 /nfs/dbraw/zinc/13/15/62/775131562.db2.gz VDFRZBWTBVNBCN-NXEZZACHSA-N 1 1 301.343 -1.499 20 0 DAADMO COC[C@@H](OC)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266324083 775131565 /nfs/dbraw/zinc/13/15/65/775131565.db2.gz VDFRZBWTBVNBCN-NXEZZACHSA-N 1 1 301.343 -1.499 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001266347457 775132794 /nfs/dbraw/zinc/13/27/94/775132794.db2.gz OXBZRRNELTVXPF-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114941941 775133188 /nfs/dbraw/zinc/13/31/88/775133188.db2.gz HJOGWEBAUPLBHQ-UKKRHICBSA-N 1 1 319.427 -1.259 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)NCC(F)F)[C@@H]1CCNC1=O ZINC001266399071 775137472 /nfs/dbraw/zinc/13/74/72/775137472.db2.gz JLMMIZYUJBFHCE-MRVPVSSYSA-N 1 1 306.313 -1.306 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCC(F)F)[C@@H]1CCNC1=O ZINC001266399071 775137476 /nfs/dbraw/zinc/13/74/76/775137476.db2.gz JLMMIZYUJBFHCE-MRVPVSSYSA-N 1 1 306.313 -1.306 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)c1N)[C@@H]1CCC(=O)NC1=O ZINC001266386269 775137594 /nfs/dbraw/zinc/13/75/94/775137594.db2.gz XYQMNUIWANZXQD-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001266386024 775138119 /nfs/dbraw/zinc/13/81/19/775138119.db2.gz OVUIPABSMNARGC-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCNC1=O ZINC001266394574 775138787 /nfs/dbraw/zinc/13/87/87/775138787.db2.gz UDWIGHGSPMEROR-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)CC[C@@H]1CCS(=O)(=O)C1 ZINC001266413407 775140017 /nfs/dbraw/zinc/14/00/17/775140017.db2.gz MAVWITWPCOSPBD-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266444201 775142510 /nfs/dbraw/zinc/14/25/10/775142510.db2.gz YHPCRROQJBJQCA-NXEZZACHSA-N 1 1 312.370 -1.259 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001266454515 775143915 /nfs/dbraw/zinc/14/39/15/775143915.db2.gz XTMUFWPMWNMDBK-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCN1C(=O)CCC1=O ZINC001266464449 775144443 /nfs/dbraw/zinc/14/44/43/775144443.db2.gz AQQCATAQIJVLRM-LLVKDONJSA-N 1 1 324.381 -1.019 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCN1C(=O)CCC1=O ZINC001266464449 775144446 /nfs/dbraw/zinc/14/44/46/775144446.db2.gz AQQCATAQIJVLRM-LLVKDONJSA-N 1 1 324.381 -1.019 20 0 DAADMO Cn1cnnc1COCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001167260489 775144592 /nfs/dbraw/zinc/14/45/92/775144592.db2.gz ZREPZTQTECJXKT-NSHDSACASA-N 1 1 324.385 -1.212 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266499430 775146705 /nfs/dbraw/zinc/14/67/05/775146705.db2.gz ANJAJFTWKWORHW-NWDGAFQWSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001098538168 775149837 /nfs/dbraw/zinc/14/98/37/775149837.db2.gz JNNRMWVSMXEXQU-AAEUAGOBSA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001266528032 775150260 /nfs/dbraw/zinc/15/02/60/775150260.db2.gz IFRWNJJFDHXKEX-QWRGUYRKSA-N 1 1 308.382 -1.031 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001167323985 775151918 /nfs/dbraw/zinc/15/19/18/775151918.db2.gz QYEDSIIQEJVMAR-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2nc[nH]n2)CCO1 ZINC001125414266 775155291 /nfs/dbraw/zinc/15/52/91/775155291.db2.gz HRFFOBUBHUCEOL-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001125409406 775155334 /nfs/dbraw/zinc/15/53/34/775155334.db2.gz PUDYYHKKYZQNKR-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349576 775156442 /nfs/dbraw/zinc/15/64/42/775156442.db2.gz BKDIOVPLOAOQDR-UHFFFAOYSA-N 1 1 303.388 -1.403 20 0 DAADMO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125414853 775156714 /nfs/dbraw/zinc/15/67/14/775156714.db2.gz XXOKRLOQVPUXRA-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO O=C(Cc1cnc[nH]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001167355396 775156796 /nfs/dbraw/zinc/15/67/96/775156796.db2.gz FRXJWHUOYSRDIH-UHFFFAOYSA-N 1 1 322.369 -1.994 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001125419398 775156899 /nfs/dbraw/zinc/15/68/99/775156899.db2.gz BCGXCVIIIGMKJP-NSHDSACASA-N 1 1 324.385 -1.262 20 0 DAADMO CCC[N@H+](CCNC(=O)C(N)=O)[C@H](C)C(=O)NC(=O)NC ZINC001266571053 775157049 /nfs/dbraw/zinc/15/70/49/775157049.db2.gz GATYVJRBKFKBBI-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC[N@@H+](CCNC(=O)C(N)=O)[C@H](C)C(=O)NC(=O)NC ZINC001266571053 775157053 /nfs/dbraw/zinc/15/70/53/775157053.db2.gz GATYVJRBKFKBBI-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001266582057 775158339 /nfs/dbraw/zinc/15/83/39/775158339.db2.gz YRISPFRZVIHLFO-UHFFFAOYSA-N 1 1 321.337 -1.291 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001266582057 775158342 /nfs/dbraw/zinc/15/83/42/775158342.db2.gz YRISPFRZVIHLFO-UHFFFAOYSA-N 1 1 321.337 -1.291 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC001167377203 775158479 /nfs/dbraw/zinc/15/84/79/775158479.db2.gz OZQVVQXOIABBJH-IUCAKERBSA-N 1 1 304.372 -1.450 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC001167377203 775158485 /nfs/dbraw/zinc/15/84/85/775158485.db2.gz OZQVVQXOIABBJH-IUCAKERBSA-N 1 1 304.372 -1.450 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475571 775158927 /nfs/dbraw/zinc/15/89/27/775158927.db2.gz YQFANXJKTWKSQQ-UHFFFAOYSA-N 1 1 309.330 -1.642 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC001167377204 775159077 /nfs/dbraw/zinc/15/90/77/775159077.db2.gz OZQVVQXOIABBJH-RKDXNWHRSA-N 1 1 304.372 -1.450 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC001167377204 775159089 /nfs/dbraw/zinc/15/90/89/775159089.db2.gz OZQVVQXOIABBJH-RKDXNWHRSA-N 1 1 304.372 -1.450 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282949145 775162598 /nfs/dbraw/zinc/16/25/98/775162598.db2.gz OGODVYPEGCKMNG-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[NH2+]Cc1nonc1C ZINC001266699987 775170627 /nfs/dbraw/zinc/17/06/27/775170627.db2.gz VPLKNXLIQCGXBO-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001279484168 775172162 /nfs/dbraw/zinc/17/21/62/775172162.db2.gz OAEPTZMFQOMUGJ-UHFFFAOYSA-N 1 1 321.385 -1.100 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001279484168 775172165 /nfs/dbraw/zinc/17/21/65/775172165.db2.gz OAEPTZMFQOMUGJ-UHFFFAOYSA-N 1 1 321.385 -1.100 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CN(C)S(C)(=O)=O ZINC001266716436 775174158 /nfs/dbraw/zinc/17/41/58/775174158.db2.gz RFHKNFVNNWOOEO-UHFFFAOYSA-N 1 1 318.403 -1.746 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767515 775176787 /nfs/dbraw/zinc/17/67/87/775176787.db2.gz OVTJBOVOFRYZQJ-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001266767709 775177164 /nfs/dbraw/zinc/17/71/64/775177164.db2.gz QGXRCJPOINQKHV-WDEREUQCSA-N 1 1 312.370 -1.205 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001266767708 775177452 /nfs/dbraw/zinc/17/74/52/775177452.db2.gz QGXRCJPOINQKHV-QWRGUYRKSA-N 1 1 312.370 -1.205 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1nocc1C ZINC001266789506 775178965 /nfs/dbraw/zinc/17/89/65/775178965.db2.gz ZMDKBCNKGQZFLJ-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001266798360 775179245 /nfs/dbraw/zinc/17/92/45/775179245.db2.gz NVQAXMVEZSUKTR-NSHDSACASA-N 1 1 324.385 -1.073 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCN1CCOCC1 ZINC001213581242 775182450 /nfs/dbraw/zinc/18/24/50/775182450.db2.gz SOQXWDDNIPYHHE-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556258 775183729 /nfs/dbraw/zinc/18/37/29/775183729.db2.gz OYTJZDBAJFCLBD-NSHDSACASA-N 1 1 316.402 -1.289 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556257 775183953 /nfs/dbraw/zinc/18/39/53/775183953.db2.gz OYTJZDBAJFCLBD-LLVKDONJSA-N 1 1 316.402 -1.289 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)C1CC(=O)NC(=O)C1 ZINC001266888052 775185966 /nfs/dbraw/zinc/18/59/66/775185966.db2.gz KLWOEGGZYNRKLX-UHFFFAOYSA-N 1 1 308.342 -1.584 20 0 DAADMO CCn1cc(C[NH2+]CCN(C)C(=O)C2CC(=O)NC(=O)C2)nn1 ZINC001266888420 775186639 /nfs/dbraw/zinc/18/66/39/775186639.db2.gz PTZHTMQOLODCRZ-UHFFFAOYSA-N 1 1 322.369 -1.101 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)[NH2+]Cc1nncn1C ZINC001266943403 775188430 /nfs/dbraw/zinc/18/84/30/775188430.db2.gz XSZFPXCLFTZBCA-ZJUUUORDSA-N 1 1 322.369 -1.053 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)[nH]n1 ZINC001125551974 775188781 /nfs/dbraw/zinc/18/87/81/775188781.db2.gz HLGLKULKABTYMV-UHFFFAOYSA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1ncnn1C ZINC001266978911 775190579 /nfs/dbraw/zinc/19/05/79/775190579.db2.gz WFIAXSDAVGLFGD-MRVPVSSYSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001266968820 775191566 /nfs/dbraw/zinc/19/15/66/775191566.db2.gz ZCQNJCKPRBTFHH-ZETCQYMHSA-N 1 1 303.340 -1.237 20 0 DAADMO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001266992005 775192568 /nfs/dbraw/zinc/19/25/68/775192568.db2.gz XJLCQHPAHADGCL-PSASIEDQSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1ncccn1 ZINC001266985607 775192697 /nfs/dbraw/zinc/19/26/97/775192697.db2.gz NKYINSHUAPYCLZ-SNVBAGLBSA-N 1 1 320.353 -1.035 20 0 DAADMO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001266991705 775193068 /nfs/dbraw/zinc/19/30/68/775193068.db2.gz QBGQIUOVTMMQPW-PSASIEDQSA-N 1 1 323.357 -1.602 20 0 DAADMO COCCOCC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001267034303 775197566 /nfs/dbraw/zinc/19/75/66/775197566.db2.gz HCELKDOXLBWBMC-NSHDSACASA-N 1 1 312.374 -1.189 20 0 DAADMO NC(=O)CN(CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562525 775200826 /nfs/dbraw/zinc/20/08/26/775200826.db2.gz YQDXVLYUFODQKG-UHFFFAOYSA-N 1 1 312.414 -1.147 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267115598 775204730 /nfs/dbraw/zinc/20/47/30/775204730.db2.gz XKXSDMNIVPJPJW-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267115598 775204734 /nfs/dbraw/zinc/20/47/34/775204734.db2.gz XKXSDMNIVPJPJW-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267112071 775205006 /nfs/dbraw/zinc/20/50/06/775205006.db2.gz VSOOIFSRYWAUSW-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267112071 775205012 /nfs/dbraw/zinc/20/50/12/775205012.db2.gz VSOOIFSRYWAUSW-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1cccnc1C(N)=O ZINC001267105182 775205128 /nfs/dbraw/zinc/20/51/28/775205128.db2.gz CXKBHGLJCMDLHB-UHFFFAOYSA-N 1 1 318.341 -1.434 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001267131416 775206034 /nfs/dbraw/zinc/20/60/34/775206034.db2.gz FPODXTMEGBBMRD-CBAPKCEASA-N 1 1 324.341 -1.039 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001267131415 775206682 /nfs/dbraw/zinc/20/66/82/775206682.db2.gz FPODXTMEGBBMRD-APPZFPTMSA-N 1 1 324.341 -1.039 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001267156641 775208426 /nfs/dbraw/zinc/20/84/26/775208426.db2.gz BYIGZTMHYYRUSM-QMMMGPOBSA-N 1 1 324.341 -1.086 20 0 DAADMO C[N@H+](CCNC(=O)CCc1nc[nH]n1)CCN1C(=O)CNC1=O ZINC001267190998 775209497 /nfs/dbraw/zinc/20/94/97/775209497.db2.gz KPDSMRZVNGFKGF-UHFFFAOYSA-N 1 1 323.357 -1.663 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1nc[nH]n1)CCN1C(=O)CNC1=O ZINC001267190998 775209504 /nfs/dbraw/zinc/20/95/04/775209504.db2.gz KPDSMRZVNGFKGF-UHFFFAOYSA-N 1 1 323.357 -1.663 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267193100 775209630 /nfs/dbraw/zinc/20/96/30/775209630.db2.gz XXFUOMMWPVBLDA-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001267193100 775209636 /nfs/dbraw/zinc/20/96/36/775209636.db2.gz XXFUOMMWPVBLDA-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1=O ZINC001267204868 775212030 /nfs/dbraw/zinc/21/20/30/775212030.db2.gz OCUDETMJAVLBHP-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1=O ZINC001267204868 775212036 /nfs/dbraw/zinc/21/20/36/775212036.db2.gz OCUDETMJAVLBHP-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125638575 775212470 /nfs/dbraw/zinc/21/24/70/775212470.db2.gz RQLXLBKCNBAVRE-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@H+](CCNC(=O)CCCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001267199062 775212712 /nfs/dbraw/zinc/21/27/12/775212712.db2.gz IRMNUEXXIBDBPU-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO C[N@@H+](CCNC(=O)CCCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001267199062 775212720 /nfs/dbraw/zinc/21/27/20/775212720.db2.gz IRMNUEXXIBDBPU-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198801 775213039 /nfs/dbraw/zinc/21/30/39/775213039.db2.gz BWIGKOJQYXXJLG-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198801 775213047 /nfs/dbraw/zinc/21/30/47/775213047.db2.gz BWIGKOJQYXXJLG-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)CCN1C(=O)CNC1=O ZINC001267203992 775213183 /nfs/dbraw/zinc/21/31/83/775213183.db2.gz MGMGULSIPIIIRQ-UHFFFAOYSA-N 1 1 322.325 -1.604 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc[nH]c1=O)[C@H]1CCC(=O)NC1=O ZINC001267204366 775213303 /nfs/dbraw/zinc/21/33/03/775213303.db2.gz ZDQPEPVKICDEGU-VIFPVBQESA-N 1 1 307.310 -1.351 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc[nH]c1=O)[C@H]1CCC(=O)NC1=O ZINC001267204366 775213307 /nfs/dbraw/zinc/21/33/07/775213307.db2.gz ZDQPEPVKICDEGU-VIFPVBQESA-N 1 1 307.310 -1.351 20 0 DAADMO COc1cncc(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)n1 ZINC001267220288 775215489 /nfs/dbraw/zinc/21/54/89/775215489.db2.gz OBVNWQGFBGDQMZ-SNVBAGLBSA-N 1 1 321.337 -1.048 20 0 DAADMO COc1cncc(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n1 ZINC001267220288 775215495 /nfs/dbraw/zinc/21/54/95/775215495.db2.gz OBVNWQGFBGDQMZ-SNVBAGLBSA-N 1 1 321.337 -1.048 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC1=O)C[C@H](O)Cn1cccn1 ZINC001267217748 775215967 /nfs/dbraw/zinc/21/59/67/775215967.db2.gz OLSLGCINEHAXEH-WFASDCNBSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCOCCO)n(C)c1=O ZINC001267233347 775217643 /nfs/dbraw/zinc/21/76/43/775217643.db2.gz SEHONPCBNVEWJI-UHFFFAOYSA-N 1 1 300.359 -1.606 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCC(=O)NC1=O ZINC001267241767 775217723 /nfs/dbraw/zinc/21/77/23/775217723.db2.gz KHPRTHHKSVFIPS-VIFPVBQESA-N 1 1 309.330 -2.084 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263490 775219539 /nfs/dbraw/zinc/21/95/39/775219539.db2.gz JYXCOLAIMNDTMP-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)[C@H](C)C(N)=O ZINC001267255726 775220112 /nfs/dbraw/zinc/22/01/12/775220112.db2.gz AZRVAIUYNOMLNY-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)[C@H](C)C(N)=O ZINC001267255726 775220116 /nfs/dbraw/zinc/22/01/16/775220116.db2.gz AZRVAIUYNOMLNY-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)C[C@H](O)COC ZINC001267252319 775220190 /nfs/dbraw/zinc/22/01/90/775220190.db2.gz KRXOKDUMTCOKTP-NSHDSACASA-N 1 1 315.370 -1.515 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)[C@H](C)C(N)=O ZINC001267255720 775220313 /nfs/dbraw/zinc/22/03/13/775220313.db2.gz AZRVAIUYNOMLNY-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)[C@H](C)C(N)=O ZINC001267255720 775220319 /nfs/dbraw/zinc/22/03/19/775220319.db2.gz AZRVAIUYNOMLNY-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267274509 775221716 /nfs/dbraw/zinc/22/17/16/775221716.db2.gz PNKAAYVETMAOKH-VHSXEESVSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267274509 775221725 /nfs/dbraw/zinc/22/17/25/775221725.db2.gz PNKAAYVETMAOKH-VHSXEESVSA-N 1 1 322.365 -1.362 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001279628052 775221746 /nfs/dbraw/zinc/22/17/46/775221746.db2.gz AEKJLAGYVCVVHO-UHFFFAOYSA-N 1 1 312.370 -1.627 20 0 DAADMO CCOCC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001267282086 775222351 /nfs/dbraw/zinc/22/23/51/775222351.db2.gz OJRBWSQZXDSHRE-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267283355 775222550 /nfs/dbraw/zinc/22/25/50/775222550.db2.gz WITVPJAANFDMJC-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267283355 775222556 /nfs/dbraw/zinc/22/25/56/775222556.db2.gz WITVPJAANFDMJC-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267294377 775224502 /nfs/dbraw/zinc/22/45/02/775224502.db2.gz HFOUSKVRKJGKCL-QWHCGFSZSA-N 1 1 313.398 -1.040 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267285649 775224605 /nfs/dbraw/zinc/22/46/05/775224605.db2.gz LYNPVCRFDFJIOW-MNOVXSKESA-N 1 1 310.354 -1.634 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267305136 775225694 /nfs/dbraw/zinc/22/56/94/775225694.db2.gz HSLODZLOOOUMGY-VHSXEESVSA-N 1 1 323.353 -2.135 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1 ZINC001267302169 775226104 /nfs/dbraw/zinc/22/61/04/775226104.db2.gz MQWFJSABRPOHFQ-NSHDSACASA-N 1 1 323.397 -1.285 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267301745 775226226 /nfs/dbraw/zinc/22/62/26/775226226.db2.gz FLUNRNPKVLGYHG-MNOVXSKESA-N 1 1 317.411 -1.265 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001267305132 775226256 /nfs/dbraw/zinc/22/62/56/775226256.db2.gz HSLODZLOOOUMGY-NXEZZACHSA-N 1 1 323.353 -2.135 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267301744 775226359 /nfs/dbraw/zinc/22/63/59/775226359.db2.gz FLUNRNPKVLGYHG-GHMZBOCLSA-N 1 1 317.411 -1.265 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267305134 775226627 /nfs/dbraw/zinc/22/66/27/775226627.db2.gz HSLODZLOOOUMGY-UWVGGRQHSA-N 1 1 323.353 -2.135 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098578251 775228471 /nfs/dbraw/zinc/22/84/71/775228471.db2.gz OQIQDJZMYAMTFW-SNVBAGLBSA-N 1 1 312.370 -1.571 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267321986 775229077 /nfs/dbraw/zinc/22/90/77/775229077.db2.gz QNXQVMXMIHKJHN-BXKDBHETSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267321986 775229084 /nfs/dbraw/zinc/22/90/84/775229084.db2.gz QNXQVMXMIHKJHN-BXKDBHETSA-N 1 1 324.381 -1.103 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC001267334781 775229201 /nfs/dbraw/zinc/22/92/01/775229201.db2.gz FPZSPWLVDFNEMO-LLVKDONJSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)Cn2cccn2)nn1 ZINC001279660394 775230398 /nfs/dbraw/zinc/23/03/98/775230398.db2.gz KAEDOMGTNDEXCP-UHFFFAOYSA-N 1 1 307.358 -1.378 20 0 DAADMO CC(=O)NCc1nc(C[NH2+][C@H]2CCC(=O)NC2=O)cc(=O)[nH]1 ZINC001087253551 775231880 /nfs/dbraw/zinc/23/18/80/775231880.db2.gz RWZPGJKYYUKTRZ-VIFPVBQESA-N 1 1 307.310 -1.287 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[NH2+]Cc2ncnn2C)nn1 ZINC001267372418 775233225 /nfs/dbraw/zinc/23/32/25/775233225.db2.gz PJHOSPAXWLBXQH-UHFFFAOYSA-N 1 1 322.373 -1.085 20 0 DAADMO Cc1nc(C(=O)N(C)CC[NH2+]Cc2nnnn2C)c(=O)[nH]c1C ZINC001267387633 775235404 /nfs/dbraw/zinc/23/54/04/775235404.db2.gz ABAOYFYUTONDFO-UHFFFAOYSA-N 1 1 320.357 -1.228 20 0 DAADMO CN(CC[NH2+]CC(N)=O)C(=O)C(C)(C)CN1CCOCC1 ZINC001267390707 775235489 /nfs/dbraw/zinc/23/54/89/775235489.db2.gz OAWGFXOZTLLEKN-UHFFFAOYSA-N 1 1 300.403 -1.122 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cnns1 ZINC001267408795 775236405 /nfs/dbraw/zinc/23/64/05/775236405.db2.gz NGJXPSDUKPZNDS-UHFFFAOYSA-N 1 1 322.416 -1.860 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001267408602 775237492 /nfs/dbraw/zinc/23/74/92/775237492.db2.gz JOJBLAFCSALCDM-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1CCF)C(=O)[C@H]1CNC(=O)N1 ZINC001267421403 775238763 /nfs/dbraw/zinc/23/87/63/775238763.db2.gz ZRTLKHUZWOUVOX-SECBINFHSA-N 1 1 313.337 -1.523 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267432758 775238891 /nfs/dbraw/zinc/23/88/91/775238891.db2.gz FGCKNWKNXJIHPH-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)c1c[nH]c(=O)cn1 ZINC001267419927 775239266 /nfs/dbraw/zinc/23/92/66/775239266.db2.gz SCTARQUIMSWOSI-UHFFFAOYSA-N 1 1 318.341 -1.047 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)CN1CC(=O)N(C)C1=O ZINC001267453046 775241162 /nfs/dbraw/zinc/24/11/62/775241162.db2.gz AXAYVOHEWAYITD-UHFFFAOYSA-N 1 1 324.345 -2.348 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)c1ccc(=O)n(C)n1 ZINC001267465080 775242186 /nfs/dbraw/zinc/24/21/86/775242186.db2.gz DBKSUEVPWZBWGX-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO Cn1nnc(CNCC2(CCNC(=O)Cc3nnc[nH]3)CC2)n1 ZINC001167685934 775243229 /nfs/dbraw/zinc/24/32/29/775243229.db2.gz NLGMYTPMBCXARD-UHFFFAOYSA-N 1 1 319.373 -1.053 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087270816 775243442 /nfs/dbraw/zinc/24/34/42/775243442.db2.gz HEDCRAJYYNPWMV-OASPWFOLSA-N 1 1 321.385 -1.236 20 0 DAADMO NC(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267514138 775248052 /nfs/dbraw/zinc/24/80/52/775248052.db2.gz SHUSVBQMGWMZNB-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2COC(=O)N2)nc1 ZINC001279704412 775248591 /nfs/dbraw/zinc/24/85/91/775248591.db2.gz BGTUHRDPUCFVOR-NSHDSACASA-N 1 1 323.353 -1.196 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001024964349 775250806 /nfs/dbraw/zinc/25/08/06/775250806.db2.gz PANONHHJUIFINB-JMSVASOKSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(CC[NH+]1CCN(Cc2cnn(C)c2)CC1)C(=O)CC(N)=O ZINC001267573625 775251007 /nfs/dbraw/zinc/25/10/07/775251007.db2.gz IDQLXLBFAGDNCJ-UHFFFAOYSA-N 1 1 322.413 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267560758 775251023 /nfs/dbraw/zinc/25/10/23/775251023.db2.gz MNAMPNMCWNVTAH-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO C[C@H](C[N@H+]1CC[C@H](CCNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001267563619 775251380 /nfs/dbraw/zinc/25/13/80/775251380.db2.gz CAVZSUMSOFLLNI-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001267586944 775252949 /nfs/dbraw/zinc/25/29/49/775252949.db2.gz CLIQQWMPJLNEPR-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087358536 775253300 /nfs/dbraw/zinc/25/33/00/775253300.db2.gz INZAMERMXOCIFG-RNJOBUHISA-N 1 1 306.370 -1.166 20 0 DAADMO CN(CC[NH+]1CCN(Cc2ccn(C)n2)CC1)C(=O)CC(N)=O ZINC001267606227 775256326 /nfs/dbraw/zinc/25/63/26/775256326.db2.gz QSTAWWJSLXZUSS-UHFFFAOYSA-N 1 1 322.413 -1.129 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267620960 775259347 /nfs/dbraw/zinc/25/93/47/775259347.db2.gz MBOGXNLIIYFWFL-LBPRGKRZSA-N 1 1 324.381 -1.148 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267618544 775259709 /nfs/dbraw/zinc/25/97/09/775259709.db2.gz QKHZJOVQMLORTB-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267618544 775259717 /nfs/dbraw/zinc/25/97/17/775259717.db2.gz QKHZJOVQMLORTB-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001219093031 775265655 /nfs/dbraw/zinc/26/56/55/775265655.db2.gz DAKPXWYFRSOQSV-TUAOUCFPSA-N 1 1 322.377 -1.080 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001219093031 775265660 /nfs/dbraw/zinc/26/56/60/775265660.db2.gz DAKPXWYFRSOQSV-TUAOUCFPSA-N 1 1 322.377 -1.080 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112036913 775265802 /nfs/dbraw/zinc/26/58/02/775265802.db2.gz VSSWPTOETCNCNQ-NBEYISGCSA-N 1 1 324.303 -1.025 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267669065 775265970 /nfs/dbraw/zinc/26/59/70/775265970.db2.gz VWNPCUASQOSPPZ-ONGXEEELSA-N 1 1 312.370 -1.064 20 0 DAADMO O=C(Cc1c[nH]cn1)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267694017 775266666 /nfs/dbraw/zinc/26/66/66/775266666.db2.gz YFNOOUMBNGFAGU-LLVKDONJSA-N 1 1 305.338 -1.195 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087385893 775267061 /nfs/dbraw/zinc/26/70/61/775267061.db2.gz DNXKUKYWXADZFL-RNJOBUHISA-N 1 1 318.381 -1.068 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267694338 775267556 /nfs/dbraw/zinc/26/75/56/775267556.db2.gz IRNCOOSOKZQBPW-UHFFFAOYSA-N 1 1 324.381 -1.435 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001267688536 775267580 /nfs/dbraw/zinc/26/75/80/775267580.db2.gz NKKWEALTYGJHNP-ZETCQYMHSA-N 1 1 306.313 -1.450 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267702174 775268075 /nfs/dbraw/zinc/26/80/75/775268075.db2.gz DCBZAGYPGAYOEK-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO COCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001267707320 775269283 /nfs/dbraw/zinc/26/92/83/775269283.db2.gz SIXDJPJRRKBIPX-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCOC ZINC001267705893 775269465 /nfs/dbraw/zinc/26/94/65/775269465.db2.gz RXEIVSVVBXJANP-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCOC ZINC001267705893 775269479 /nfs/dbraw/zinc/26/94/79/775269479.db2.gz RXEIVSVVBXJANP-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001267707319 775269907 /nfs/dbraw/zinc/26/99/07/775269907.db2.gz SIXDJPJRRKBIPX-AVGNSLFASA-N 1 1 302.371 -1.058 20 0 DAADMO COc1ccc(OC)c(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001143503026 775271152 /nfs/dbraw/zinc/27/11/52/775271152.db2.gz ZMTQKWLZSNRTNV-KKUMJFAQSA-N 1 1 321.381 -1.235 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001267727373 775271834 /nfs/dbraw/zinc/27/18/34/775271834.db2.gz FCBKQXUYNPOJQU-UWVGGRQHSA-N 1 1 318.399 -2.138 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001267727373 775271835 /nfs/dbraw/zinc/27/18/35/775271835.db2.gz FCBKQXUYNPOJQU-UWVGGRQHSA-N 1 1 318.399 -2.138 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001267722031 775271913 /nfs/dbraw/zinc/27/19/13/775271913.db2.gz UGJDFLREXBCWDS-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001267730961 775273389 /nfs/dbraw/zinc/27/33/89/775273389.db2.gz IENBRKUTEVFRFX-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001267754666 775274834 /nfs/dbraw/zinc/27/48/34/775274834.db2.gz OFAABHBGRUAJBN-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745253 775275545 /nfs/dbraw/zinc/27/55/45/775275545.db2.gz XQOGCDSYNUPWQP-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745253 775275552 /nfs/dbraw/zinc/27/55/52/775275552.db2.gz XQOGCDSYNUPWQP-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO COCCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001267759317 775278186 /nfs/dbraw/zinc/27/81/86/775278186.db2.gz JDUANNFEVKLOJS-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001267759317 775278193 /nfs/dbraw/zinc/27/81/93/775278193.db2.gz JDUANNFEVKLOJS-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267763115 775278535 /nfs/dbraw/zinc/27/85/35/775278535.db2.gz VNKCKYKMOWYDOZ-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267754190 775279017 /nfs/dbraw/zinc/27/90/17/775279017.db2.gz COPFMPCJAXYPQX-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267757396 775279298 /nfs/dbraw/zinc/27/92/98/775279298.db2.gz VHYDPGXPNWHRIC-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267778783 775279538 /nfs/dbraw/zinc/27/95/38/775279538.db2.gz HGWLUYSGECPINA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267778783 775279549 /nfs/dbraw/zinc/27/95/49/775279549.db2.gz HGWLUYSGECPINA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267771457 775280384 /nfs/dbraw/zinc/28/03/84/775280384.db2.gz GUIAJFPZDJQWLP-NXEZZACHSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267771457 775280387 /nfs/dbraw/zinc/28/03/87/775280387.db2.gz GUIAJFPZDJQWLP-NXEZZACHSA-N 1 1 322.365 -1.410 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112072170 775282242 /nfs/dbraw/zinc/28/22/42/775282242.db2.gz MLJRSCUXNFZQSF-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2CCNC2=O)CCCC1 ZINC001267840623 775284976 /nfs/dbraw/zinc/28/49/76/775284976.db2.gz WQKUDTXLWNLEOA-SNVBAGLBSA-N 1 1 321.385 -1.135 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105216561 775293338 /nfs/dbraw/zinc/29/33/38/775293338.db2.gz WJNUJYPUDACRLQ-ZDUSSCGKSA-N 1 1 324.385 -1.926 20 0 DAADMO Cn1cc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)nn1 ZINC001105227394 775295039 /nfs/dbraw/zinc/29/50/39/775295039.db2.gz INPLTEPPSNKQCL-UHFFFAOYSA-N 1 1 306.330 -1.814 20 0 DAADMO O=C(Cn1ncnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105240570 775295205 /nfs/dbraw/zinc/29/52/05/775295205.db2.gz RVXZOOOVXWLYCT-UHFFFAOYSA-N 1 1 307.318 -2.570 20 0 DAADMO CCn1ncc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105230221 775295344 /nfs/dbraw/zinc/29/53/44/775295344.db2.gz BBFBQBXIEPNAQC-UHFFFAOYSA-N 1 1 320.357 -1.332 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105247222 775297363 /nfs/dbraw/zinc/29/73/63/775297363.db2.gz VCDMNOJHPIAOCG-JTQLQIEISA-N 1 1 324.385 -1.342 20 0 DAADMO O=C(N1CC(n2cc(C[NH2+]CCO)nn2)C1)[C@]12C[C@H]1COC2 ZINC001105246525 775297950 /nfs/dbraw/zinc/29/79/50/775297950.db2.gz AAEBVHLHWKILLO-HZMBPMFUSA-N 1 1 307.354 -1.220 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105301429 775302442 /nfs/dbraw/zinc/30/24/42/775302442.db2.gz PHGABCHCZAWRPE-NWDGAFQWSA-N 1 1 322.369 -1.745 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001105314187 775304178 /nfs/dbraw/zinc/30/41/78/775304178.db2.gz OAXYRKMEMCGAEY-LLVKDONJSA-N 1 1 323.357 -1.921 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105313890 775304435 /nfs/dbraw/zinc/30/44/35/775304435.db2.gz JMVLSSQTCDYVOS-JTQLQIEISA-N 1 1 309.330 -2.575 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1=O ZINC001105310350 775304560 /nfs/dbraw/zinc/30/45/60/775304560.db2.gz YQFIGXRZZJEREX-GFCCVEGCSA-N 1 1 322.369 -1.778 20 0 DAADMO O=C(N1CC(n2cc(C[NH2+]CCO)nn2)C1)[C@]1(F)CCOC1 ZINC001105312660 775305908 /nfs/dbraw/zinc/30/59/08/775305908.db2.gz WXWQRZINZJMWIQ-ZDUSSCGKSA-N 1 1 313.333 -1.128 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105323924 775306725 /nfs/dbraw/zinc/30/67/25/775306725.db2.gz KMQJPSLRDNLCIJ-LBPRGKRZSA-N 1 1 313.358 -1.595 20 0 DAADMO C[C@]1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCNC1=O ZINC001105325699 775308136 /nfs/dbraw/zinc/30/81/36/775308136.db2.gz XJLBHEFHRUZARW-AWEZNQCLSA-N 1 1 322.369 -1.731 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981686 775309045 /nfs/dbraw/zinc/30/90/45/775309045.db2.gz QNOPGGHKYZSOHL-RYUDHWBXSA-N 1 1 320.459 -1.028 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCN1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981687 775309530 /nfs/dbraw/zinc/30/95/30/775309530.db2.gz QNOPGGHKYZSOHL-VXGBXAGGSA-N 1 1 320.459 -1.028 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105328361 775309884 /nfs/dbraw/zinc/30/98/84/775309884.db2.gz ANPXDVRZTLJUCT-MNOVXSKESA-N 1 1 308.342 -2.135 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C)n1C ZINC001125957075 775312820 /nfs/dbraw/zinc/31/28/20/775312820.db2.gz UGSCVPCDXJXZOG-NSHDSACASA-N 1 1 310.402 -1.086 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001125959869 775313458 /nfs/dbraw/zinc/31/34/58/775313458.db2.gz CIUXNQWHVHZGRX-LLVKDONJSA-N 1 1 309.374 -1.456 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001268013481 775315243 /nfs/dbraw/zinc/31/52/43/775315243.db2.gz ZOGAJZBIWJIGFI-VIFPVBQESA-N 1 1 323.357 -1.799 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001126021705 775320552 /nfs/dbraw/zinc/32/05/52/775320552.db2.gz OZNJWUILMDYDLL-UHFFFAOYSA-N 1 1 320.357 -1.183 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001126021965 775321129 /nfs/dbraw/zinc/32/11/29/775321129.db2.gz WQOIAORJGAHFTF-UHFFFAOYSA-N 1 1 320.357 -1.109 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126021407 775321272 /nfs/dbraw/zinc/32/12/72/775321272.db2.gz JZRGCALKTFATBP-UHFFFAOYSA-N 1 1 322.329 -1.989 20 0 DAADMO CCNC(=O)CC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001126002682 775321307 /nfs/dbraw/zinc/32/13/07/775321307.db2.gz NSCKBAJDQCBCGY-UHFFFAOYSA-N 1 1 300.338 -1.020 20 0 DAADMO CNC(=O)CCCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126011577 775321334 /nfs/dbraw/zinc/32/13/34/775321334.db2.gz IIOGSRNPECFRIH-UHFFFAOYSA-N 1 1 324.385 -1.070 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CN=NC2=O)n1C ZINC001126021852 775321442 /nfs/dbraw/zinc/32/14/42/775321442.db2.gz RJKGIAATLIHHPS-UHFFFAOYSA-N 1 1 308.346 -1.419 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001126027317 775323084 /nfs/dbraw/zinc/32/30/84/775323084.db2.gz OVHHLGOOGKPERC-UHFFFAOYSA-N 1 1 306.330 -1.115 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024951 775325138 /nfs/dbraw/zinc/32/51/38/775325138.db2.gz NBWMYCUUEZVWPX-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024951 775325151 /nfs/dbraw/zinc/32/51/51/775325151.db2.gz NBWMYCUUEZVWPX-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CNC(=O)CC(=O)NCC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001126169000 775330292 /nfs/dbraw/zinc/33/02/92/775330292.db2.gz CGBBFFUOXFWRQP-UHFFFAOYSA-N 1 1 321.341 -1.589 20 0 DAADMO CNC(=O)CC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001126169603 775330367 /nfs/dbraw/zinc/33/03/67/775330367.db2.gz MZDVSZQFZNWOMU-UHFFFAOYSA-N 1 1 323.279 -1.423 20 0 DAADMO CNC(=O)CC(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001126170412 775330652 /nfs/dbraw/zinc/33/06/52/775330652.db2.gz ZYUIWCNJVNLUMT-NSHDSACASA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001126199822 775334632 /nfs/dbraw/zinc/33/46/32/775334632.db2.gz YCLCTRFDYHRZMQ-QMMMGPOBSA-N 1 1 312.378 -1.309 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001126204858 775334745 /nfs/dbraw/zinc/33/47/45/775334745.db2.gz ZKXHKHYZYGLGCN-YUMQZZPRSA-N 1 1 310.362 -1.168 20 0 DAADMO O=C(CCn1ccnn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126270616 775338952 /nfs/dbraw/zinc/33/89/52/775338952.db2.gz VTTYHOQMDDRULY-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2nnnn2C(C)C)C1 ZINC001126288008 775341862 /nfs/dbraw/zinc/34/18/62/775341862.db2.gz YXYFWJXVSBQGNW-UHFFFAOYSA-N 1 1 309.374 -1.062 20 0 DAADMO Cn1oc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)cc1=O ZINC001126292806 775342269 /nfs/dbraw/zinc/34/22/69/775342269.db2.gz YUHMSJGXDBBZPD-UHFFFAOYSA-N 1 1 307.314 -1.181 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268095865 775345141 /nfs/dbraw/zinc/34/51/41/775345141.db2.gz XIMNJPLYYVORLU-VIFPVBQESA-N 1 1 324.341 -1.100 20 0 DAADMO O=C(c1ncccn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105349733 775345961 /nfs/dbraw/zinc/34/59/61/775345961.db2.gz PKXGBSUMLPIEOF-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO NC(=O)CCCCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105357588 775346839 /nfs/dbraw/zinc/34/68/39/775346839.db2.gz GJTIWEXDQRUOCP-UHFFFAOYSA-N 1 1 324.385 -1.211 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268102384 775347170 /nfs/dbraw/zinc/34/71/70/775347170.db2.gz TUNGZLKMSWJCDT-UWVGGRQHSA-N 1 1 322.369 -1.196 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136683 775348453 /nfs/dbraw/zinc/34/84/53/775348453.db2.gz KFEHSAJUMDGUDF-WDEREUQCSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136681 775348889 /nfs/dbraw/zinc/34/88/89/775348889.db2.gz KFEHSAJUMDGUDF-MNOVXSKESA-N 1 1 318.374 -2.131 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136755 775351323 /nfs/dbraw/zinc/35/13/23/775351323.db2.gz LACPMTOHORTIJC-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105359787 775351587 /nfs/dbraw/zinc/35/15/87/775351587.db2.gz WBLGXIXMWACLRM-UHFFFAOYSA-N 1 1 306.330 -1.896 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@]1(C)CCNC1=O ZINC001268251373 775354066 /nfs/dbraw/zinc/35/40/66/775354066.db2.gz MQNDKXLJPZWMBH-CQSZACIVSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001268256234 775354357 /nfs/dbraw/zinc/35/43/57/775354357.db2.gz LMJSBQGFLCTJOP-VHSXEESVSA-N 1 1 300.359 -1.254 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268259874 775354460 /nfs/dbraw/zinc/35/44/60/775354460.db2.gz PSSCJILVZWZJAA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268259874 775354473 /nfs/dbraw/zinc/35/44/73/775354473.db2.gz PSSCJILVZWZJAA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268256236 775355026 /nfs/dbraw/zinc/35/50/26/775355026.db2.gz LMJSBQGFLCTJOP-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268258890 775355919 /nfs/dbraw/zinc/35/59/19/775355919.db2.gz HZEQCTHQXHSOCD-SNVBAGLBSA-N 1 1 312.370 -1.482 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268258890 775355931 /nfs/dbraw/zinc/35/59/31/775355931.db2.gz HZEQCTHQXHSOCD-SNVBAGLBSA-N 1 1 312.370 -1.482 20 0 DAADMO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc2n1CCCC2 ZINC001268300069 775358992 /nfs/dbraw/zinc/35/89/92/775358992.db2.gz SPFGLWKURLHGHO-VIFPVBQESA-N 1 1 310.358 -1.944 20 0 DAADMO CC(C)OCCC[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001268310171 775365253 /nfs/dbraw/zinc/36/52/53/775365253.db2.gz UKRHJOORCMYGKS-UHFFFAOYSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)c1ccn2nnnc2c1 ZINC001268315982 775366233 /nfs/dbraw/zinc/36/62/33/775366233.db2.gz GJHIPAGTZUCLKI-NSHDSACASA-N 1 1 317.309 -1.007 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268315524 775366797 /nfs/dbraw/zinc/36/67/97/775366797.db2.gz BZMWWHBICWOHKA-WDEREUQCSA-N 1 1 322.431 -2.304 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)o1 ZINC001268316187 775367062 /nfs/dbraw/zinc/36/70/62/775367062.db2.gz IHZUIBGDNFDMHX-ONGXEEELSA-N 1 1 310.354 -1.060 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001268324257 775370002 /nfs/dbraw/zinc/37/00/02/775370002.db2.gz RGVBGQIBFOBXHH-RISCZKNCSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001268324256 775370447 /nfs/dbraw/zinc/37/04/47/775370447.db2.gz RGVBGQIBFOBXHH-FZMZJTMJSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001268325310 775372150 /nfs/dbraw/zinc/37/21/50/775372150.db2.gz DPAJVLCVSOUHKT-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC2CC2)[nH]1 ZINC001268327935 775372832 /nfs/dbraw/zinc/37/28/32/775372832.db2.gz UOQKFUPAUIDYPY-SNVBAGLBSA-N 1 1 310.358 -1.794 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001268336543 775376729 /nfs/dbraw/zinc/37/67/29/775376729.db2.gz FAAYCELGVMSZFB-SCZZXKLOSA-N 1 1 324.341 -2.565 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CCc1cn(C)nn1 ZINC001268433441 775381623 /nfs/dbraw/zinc/38/16/23/775381623.db2.gz ZVFJKCSMMKORQN-SNVBAGLBSA-N 1 1 321.389 -1.044 20 0 DAADMO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)Cc1ccn[nH]1 ZINC001268442937 775383751 /nfs/dbraw/zinc/38/37/51/775383751.db2.gz HURFNFIVMPDMPZ-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCN(C)C1=O ZINC001268471140 775385529 /nfs/dbraw/zinc/38/55/29/775385529.db2.gz BMESIIPWMUENMR-SNVBAGLBSA-N 1 1 309.374 -1.374 20 0 DAADMO CCN(CC[NH2+]Cc1nncn1C)C(=O)Cn1ncn(C)c1=O ZINC001268461153 775385601 /nfs/dbraw/zinc/38/56/01/775385601.db2.gz DELKSUQPWKVPCV-UHFFFAOYSA-N 1 1 322.373 -1.651 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105365201 775389155 /nfs/dbraw/zinc/38/91/55/775389155.db2.gz KSVUSTKREQLXOW-UHFFFAOYSA-N 1 1 323.401 -1.422 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776859 775391429 /nfs/dbraw/zinc/39/14/29/775391429.db2.gz TWYDVVAJICWPEY-GRYCIOLGSA-N 1 1 312.370 -1.784 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776859 775391441 /nfs/dbraw/zinc/39/14/41/775391441.db2.gz TWYDVVAJICWPEY-GRYCIOLGSA-N 1 1 312.370 -1.784 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211776737 775391670 /nfs/dbraw/zinc/39/16/70/775391670.db2.gz PSTNWFILOZVNRY-ZIAGYGMSSA-N 1 1 323.397 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(C)=O ZINC001211782268 775391752 /nfs/dbraw/zinc/39/17/52/775391752.db2.gz UIBDKLASRHMFQW-MVWJERBFSA-N 1 1 314.386 -1.585 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(C)=O ZINC001211782268 775391757 /nfs/dbraw/zinc/39/17/57/775391757.db2.gz UIBDKLASRHMFQW-MVWJERBFSA-N 1 1 314.386 -1.585 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@H](OC)C1 ZINC001211795480 775392474 /nfs/dbraw/zinc/39/24/74/775392474.db2.gz PXGRMCMQQUZZKP-IJLUTSLNSA-N 1 1 316.354 -1.303 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnccn1 ZINC001211776112 775393067 /nfs/dbraw/zinc/39/30/67/775393067.db2.gz BSACUYAVXDSVIF-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnccn1 ZINC001211776112 775393073 /nfs/dbraw/zinc/39/30/73/775393073.db2.gz BSACUYAVXDSVIF-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C/CNC(=O)Cn1ncn(C)c1=O ZINC001268558697 775398780 /nfs/dbraw/zinc/39/87/80/775398780.db2.gz MUGWRJRHGOZCFT-ONEGZZNKSA-N 1 1 320.357 -1.828 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C\CNC(=O)Cn1ncn(C)c1=O ZINC001268558696 775399196 /nfs/dbraw/zinc/39/91/96/775399196.db2.gz MUGWRJRHGOZCFT-ARJAWSKDSA-N 1 1 320.357 -1.828 20 0 DAADMO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2c[nH]c(=O)n2C)nc1=O ZINC001268572992 775400058 /nfs/dbraw/zinc/40/00/58/775400058.db2.gz NPCQNYHHXQYSDT-ARJAWSKDSA-N 1 1 321.341 -1.377 20 0 DAADMO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2c[nH]c(=O)n2C)nc1=O ZINC001268572996 775400375 /nfs/dbraw/zinc/40/03/75/775400375.db2.gz NPCQNYHHXQYSDT-ONEGZZNKSA-N 1 1 321.341 -1.377 20 0 DAADMO OCC(CO)(CO)Nc1[nH+]c(N2CCOCC2)nc2[nH]ccc21 ZINC001167923838 775400609 /nfs/dbraw/zinc/40/06/09/775400609.db2.gz HQFQEUMBQHNJBQ-UHFFFAOYSA-N 1 1 323.353 -1.078 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001211823465 775402721 /nfs/dbraw/zinc/40/27/21/775402721.db2.gz ZUZHDQPGCGMUCF-IJLUTSLNSA-N 1 1 312.374 -1.351 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC001211822493 775402775 /nfs/dbraw/zinc/40/27/75/775402775.db2.gz DHWQXXFWQLIGJK-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211825422 775402801 /nfs/dbraw/zinc/40/28/01/775402801.db2.gz MTQOJXIRHMMNBE-YNEHKIRRSA-N 1 1 312.370 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001211822790 775403051 /nfs/dbraw/zinc/40/30/51/775403051.db2.gz MLPFRDBEQHMZTG-CHWSQXEVSA-N 1 1 324.385 -1.085 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833684 775404181 /nfs/dbraw/zinc/40/41/81/775404181.db2.gz IXRMWZIQEFDPNA-OPRDCNLKSA-N 1 1 313.358 -2.251 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833684 775404186 /nfs/dbraw/zinc/40/41/86/775404186.db2.gz IXRMWZIQEFDPNA-OPRDCNLKSA-N 1 1 313.358 -2.251 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1)OC ZINC001211834074 775404205 /nfs/dbraw/zinc/40/42/05/775404205.db2.gz ZRRCUSUQNOBYEI-GMTAPVOTSA-N 1 1 302.375 -1.105 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833542 775405063 /nfs/dbraw/zinc/40/50/63/775405063.db2.gz DBXGVRQAIOXSLR-IJLUTSLNSA-N 1 1 314.386 -1.103 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833683 775405077 /nfs/dbraw/zinc/40/50/77/775405077.db2.gz IXRMWZIQEFDPNA-KXUCPTDWSA-N 1 1 313.358 -2.251 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833683 775405085 /nfs/dbraw/zinc/40/50/85/775405085.db2.gz IXRMWZIQEFDPNA-KXUCPTDWSA-N 1 1 313.358 -2.251 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CNC(N)=O ZINC001211833793 775405281 /nfs/dbraw/zinc/40/52/81/775405281.db2.gz NCFFGMQXGHHZAO-VXGBXAGGSA-N 1 1 324.385 -1.554 20 0 DAADMO COCCC[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138321 775406278 /nfs/dbraw/zinc/40/62/78/775406278.db2.gz UUIWGOYOODDPKF-LLVKDONJSA-N 1 1 302.375 -1.102 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211835467 775406935 /nfs/dbraw/zinc/40/69/35/775406935.db2.gz DNFXXFAQZZBKCI-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098680770 775407072 /nfs/dbraw/zinc/40/70/72/775407072.db2.gz JLRLMINVOHFQLM-GFCCVEGCSA-N 1 1 320.357 -1.575 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC/C=C/C[NH2+]Cc1cnns1 ZINC001268623804 775411359 /nfs/dbraw/zinc/41/13/59/775411359.db2.gz RKEOIJIANDIQSX-OWOJBTEDSA-N 1 1 324.366 -1.148 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1CCNC1=O ZINC001268656844 775413340 /nfs/dbraw/zinc/41/33/40/775413340.db2.gz FTSPBZFSFJUYAU-NXEZZACHSA-N 1 1 312.349 -1.022 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1C(=O)CN(C)C1=O ZINC001268672145 775414235 /nfs/dbraw/zinc/41/42/35/775414235.db2.gz VYYGQGGPRDQBQY-SECBINFHSA-N 1 1 323.357 -1.697 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1nc[nH]n1 ZINC001268682799 775414624 /nfs/dbraw/zinc/41/46/24/775414624.db2.gz XSYANDFUGDMXDP-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN1C(=O)CNC1=O ZINC001268714557 775418237 /nfs/dbraw/zinc/41/82/37/775418237.db2.gz IDFKBLMELGNKNK-VIFPVBQESA-N 1 1 306.326 -1.377 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268709029 775418336 /nfs/dbraw/zinc/41/83/36/775418336.db2.gz OQHWQVHGPVXAIY-QMMMGPOBSA-N 1 1 308.342 -1.538 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001268711877 775418873 /nfs/dbraw/zinc/41/88/73/775418873.db2.gz YMVOUMNDACCGBQ-QMMMGPOBSA-N 1 1 323.357 -1.399 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001268741560 775419386 /nfs/dbraw/zinc/41/93/86/775419386.db2.gz UFSWVACSMBDLEQ-RKDXNWHRSA-N 1 1 323.353 -1.019 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001268726791 775420357 /nfs/dbraw/zinc/42/03/57/775420357.db2.gz SECQMFAOYYXWSZ-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001268726791 775420360 /nfs/dbraw/zinc/42/03/60/775420360.db2.gz SECQMFAOYYXWSZ-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@H](C[N@@H+](C)CCOCCO)NC(=O)[C@]1(C)CCNC1=O ZINC001268746877 775420385 /nfs/dbraw/zinc/42/03/85/775420385.db2.gz OFBVGDJAVXCLAG-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)Cn1ccnc1 ZINC001268759496 775421608 /nfs/dbraw/zinc/42/16/08/775421608.db2.gz LWIUQKOXQUQEKT-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO NC(=O)CC(=O)NCC1C[NH+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001268813588 775423751 /nfs/dbraw/zinc/42/37/51/775423751.db2.gz AIGBAHZCFIXBIH-SNVBAGLBSA-N 1 1 317.411 -1.265 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001268964904 775430896 /nfs/dbraw/zinc/43/08/96/775430896.db2.gz GKNRKVHCJOPBQT-QWRGUYRKSA-N 1 1 308.338 -1.323 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001268964904 775430905 /nfs/dbraw/zinc/43/09/05/775430905.db2.gz GKNRKVHCJOPBQT-QWRGUYRKSA-N 1 1 308.338 -1.323 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001268965765 775431416 /nfs/dbraw/zinc/43/14/16/775431416.db2.gz WDDZKMRPXZODCM-SDDRHHMPSA-N 1 1 323.349 -1.073 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001268965765 775431426 /nfs/dbraw/zinc/43/14/26/775431426.db2.gz WDDZKMRPXZODCM-SDDRHHMPSA-N 1 1 323.349 -1.073 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)C1=O ZINC001268959526 775431764 /nfs/dbraw/zinc/43/17/64/775431764.db2.gz CBSKYDVDHZVKGF-CYDGBPFRSA-N 1 1 311.382 -1.243 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001268965318 775431981 /nfs/dbraw/zinc/43/19/81/775431981.db2.gz OPGRVUXQDOHGTI-DCAQKATOSA-N 1 1 301.343 -2.219 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001268965318 775431986 /nfs/dbraw/zinc/43/19/86/775431986.db2.gz OPGRVUXQDOHGTI-DCAQKATOSA-N 1 1 301.343 -2.219 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001269084193 775439943 /nfs/dbraw/zinc/43/99/43/775439943.db2.gz LUOYUBRSWZOALF-LBPRGKRZSA-N 1 1 309.366 -1.081 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)c1 ZINC001269073083 775440434 /nfs/dbraw/zinc/44/04/34/775440434.db2.gz HQCOHPRRCOQJRO-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001269095090 775441283 /nfs/dbraw/zinc/44/12/83/775441283.db2.gz MPYFZLLHGOWIAU-UHFFFAOYSA-N 1 1 322.409 -1.055 20 0 DAADMO CCN(C)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269095777 775441538 /nfs/dbraw/zinc/44/15/38/775441538.db2.gz VRHSFCVTDDCWTK-UHFFFAOYSA-N 1 1 312.414 -1.061 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001269117742 775443068 /nfs/dbraw/zinc/44/30/68/775443068.db2.gz BLCPPLQBRQPLQA-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001269117742 775443077 /nfs/dbraw/zinc/44/30/77/775443077.db2.gz BLCPPLQBRQPLQA-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001269159448 775445302 /nfs/dbraw/zinc/44/53/02/775445302.db2.gz FGIUCCBFMMZONG-NEPJUHHUSA-N 1 1 321.381 -1.300 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)c[nH]1 ZINC001269193587 775447673 /nfs/dbraw/zinc/44/76/73/775447673.db2.gz NHZFFWPFMMFCOO-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001269193979 775448307 /nfs/dbraw/zinc/44/83/07/775448307.db2.gz ZHXKILSEAYLCGA-SNVBAGLBSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001269193320 775448432 /nfs/dbraw/zinc/44/84/32/775448432.db2.gz KKNJTFWHMXWAIT-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001269210994 775449690 /nfs/dbraw/zinc/44/96/90/775449690.db2.gz QAVQVCNIYSUDDA-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001269210994 775449695 /nfs/dbraw/zinc/44/96/95/775449695.db2.gz QAVQVCNIYSUDDA-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001269229724 775449861 /nfs/dbraw/zinc/44/98/61/775449861.db2.gz ORSVVVXMPONCBB-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001269229724 775449863 /nfs/dbraw/zinc/44/98/63/775449863.db2.gz ORSVVVXMPONCBB-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CCNC(=O)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001269235475 775451699 /nfs/dbraw/zinc/45/16/99/775451699.db2.gz YABFMDGVTWCKIW-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001269235475 775451703 /nfs/dbraw/zinc/45/17/03/775451703.db2.gz YABFMDGVTWCKIW-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3C2COC2)C1 ZINC001269247167 775452119 /nfs/dbraw/zinc/45/21/19/775452119.db2.gz FAQBKLFRZATQFR-LLVKDONJSA-N 1 1 309.366 -1.223 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCCOC)C1 ZINC001269262580 775453394 /nfs/dbraw/zinc/45/33/94/775453394.db2.gz JIKANGINLHYAKZ-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301552 775456606 /nfs/dbraw/zinc/45/66/06/775456606.db2.gz ALUTZQBFEKXEOG-VFVVQXMNSA-N 1 1 302.327 -2.909 20 0 DAADMO CCN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001269314366 775458410 /nfs/dbraw/zinc/45/84/10/775458410.db2.gz SRTNAVUSNKHTEX-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001269321084 775459660 /nfs/dbraw/zinc/45/96/60/775459660.db2.gz OMFUPMOYQZZQFV-QWRGUYRKSA-N 1 1 310.354 -1.502 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001269417654 775465262 /nfs/dbraw/zinc/46/52/62/775465262.db2.gz NYONYLUOEAVQSR-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001269417657 775465515 /nfs/dbraw/zinc/46/55/15/775465515.db2.gz NYONYLUOEAVQSR-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001269482157 775468309 /nfs/dbraw/zinc/46/83/09/775468309.db2.gz OSRWAGDURCOFBX-JTQLQIEISA-N 1 1 322.369 -1.148 20 0 DAADMO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)Cc1nn[nH]n1)C2 ZINC001269575894 775472173 /nfs/dbraw/zinc/47/21/73/775472173.db2.gz ACWUVJOVQUSFSR-UHFFFAOYSA-N 1 1 323.357 -2.256 20 0 DAADMO NC(=O)[C@@H]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)O1 ZINC001269618337 775473120 /nfs/dbraw/zinc/47/31/20/775473120.db2.gz MHYDTRFSBAAKON-JTQLQIEISA-N 1 1 301.343 -2.482 20 0 DAADMO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)Cc1ccn[nH]1)C2 ZINC001269666185 775475300 /nfs/dbraw/zinc/47/53/00/775475300.db2.gz MVPVBHNWYZIUPU-UHFFFAOYSA-N 1 1 321.381 -1.046 20 0 DAADMO C[NH+](C)CCN1CC2(CN(C(=O)Cc3ccn[nH]3)C2)OCC1=O ZINC001269667208 775475458 /nfs/dbraw/zinc/47/54/58/775475458.db2.gz ZQLVNICKJNMCCI-UHFFFAOYSA-N 1 1 321.381 -1.046 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138658 775476245 /nfs/dbraw/zinc/47/62/45/775476245.db2.gz VZBWGTFENNLXFW-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138658 775476246 /nfs/dbraw/zinc/47/62/46/775476246.db2.gz VZBWGTFENNLXFW-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)N(C)C ZINC001269797087 775477961 /nfs/dbraw/zinc/47/79/61/775477961.db2.gz PLLYRRHLWFMCJE-LBPRGKRZSA-N 1 1 312.414 -1.062 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@H](OC)C1 ZINC001211842224 775481474 /nfs/dbraw/zinc/48/14/74/775481474.db2.gz PAALYGXGBPPHQP-JHJVBQTASA-N 1 1 312.370 -1.294 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1cccn1 ZINC001211842140 775482207 /nfs/dbraw/zinc/48/22/07/775482207.db2.gz OAXRJYPSXGPZIX-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001114960266 775482236 /nfs/dbraw/zinc/48/22/36/775482236.db2.gz QLVSAWKTVYRUNK-NMSKTSORSA-N 1 1 323.353 -2.104 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001114960266 775482242 /nfs/dbraw/zinc/48/22/42/775482242.db2.gz QLVSAWKTVYRUNK-NMSKTSORSA-N 1 1 323.353 -2.104 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)CC1 ZINC001270150981 775485075 /nfs/dbraw/zinc/48/50/75/775485075.db2.gz SEAVGEYRDLSYQB-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001284920190 775490342 /nfs/dbraw/zinc/49/03/42/775490342.db2.gz AWKHGIDMUSDIQB-UHFFFAOYSA-N 1 1 317.411 -1.238 20 0 DAADMO Cn1c(C[N@@H+]2CC[C@](C)(NC(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001270624672 775498659 /nfs/dbraw/zinc/49/86/59/775498659.db2.gz RSXZJCIYUNLHHN-AWEZNQCLSA-N 1 1 323.353 -2.350 20 0 DAADMO Cn1c(C[N@H+]2CC[C@](C)(NC(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001270624672 775498666 /nfs/dbraw/zinc/49/86/66/775498666.db2.gz RSXZJCIYUNLHHN-AWEZNQCLSA-N 1 1 323.353 -2.350 20 0 DAADMO COCCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001270622679 775499163 /nfs/dbraw/zinc/49/91/63/775499163.db2.gz AOAJUKJUZADMSO-BXUZGUMPSA-N 1 1 314.386 -1.089 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656763 775500227 /nfs/dbraw/zinc/50/02/27/775500227.db2.gz IWPQOEYEEBTEOL-ISVAXAHUSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656763 775500236 /nfs/dbraw/zinc/50/02/36/775500236.db2.gz IWPQOEYEEBTEOL-ISVAXAHUSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656766 775501251 /nfs/dbraw/zinc/50/12/51/775501251.db2.gz IWPQOEYEEBTEOL-SDBXPKJASA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656766 775501253 /nfs/dbraw/zinc/50/12/53/775501253.db2.gz IWPQOEYEEBTEOL-SDBXPKJASA-N 1 1 311.342 -2.007 20 0 DAADMO O=C1NC[C@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982545 775501815 /nfs/dbraw/zinc/50/18/15/775501815.db2.gz DTSDHNXSZUDQTE-QWRGUYRKSA-N 1 1 313.354 -2.469 20 0 DAADMO O=C1NC[C@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982545 775501822 /nfs/dbraw/zinc/50/18/22/775501822.db2.gz DTSDHNXSZUDQTE-QWRGUYRKSA-N 1 1 313.354 -2.469 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001270697385 775503365 /nfs/dbraw/zinc/50/33/65/775503365.db2.gz LMUCNNAHDMUDPL-MELADBBJSA-N 1 1 312.414 -1.422 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001270697385 775503373 /nfs/dbraw/zinc/50/33/73/775503373.db2.gz LMUCNNAHDMUDPL-MELADBBJSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701394 775505232 /nfs/dbraw/zinc/50/52/32/775505232.db2.gz SLZBQSBAIGOIMN-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701394 775505242 /nfs/dbraw/zinc/50/52/42/775505242.db2.gz SLZBQSBAIGOIMN-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)CC(N)=O)C1 ZINC001285361410 775510676 /nfs/dbraw/zinc/51/06/76/775510676.db2.gz UXYAYVKTPNVZCA-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)C(=O)CC(N)=O)C1 ZINC001285361410 775510687 /nfs/dbraw/zinc/51/06/87/775510687.db2.gz UXYAYVKTPNVZCA-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC001087496724 775513975 /nfs/dbraw/zinc/51/39/75/775513975.db2.gz JSEWZOHOECLHKQ-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698565 775515243 /nfs/dbraw/zinc/51/52/43/775515243.db2.gz WNAXCKQBWKRIDU-JQWIXIFHSA-N 1 1 324.385 -1.355 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112155842 775516245 /nfs/dbraw/zinc/51/62/45/775516245.db2.gz MVWAIZCHAIUDBI-BWZBUEFSSA-N 1 1 324.303 -1.073 20 0 DAADMO CN1C[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)OCC1=O ZINC001270908610 775518893 /nfs/dbraw/zinc/51/88/93/775518893.db2.gz WMFBXOHDZSTZSU-WFASDCNBSA-N 1 1 310.398 -1.308 20 0 DAADMO C[NH+]1CCN(CC(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)CC1 ZINC001271000790 775521832 /nfs/dbraw/zinc/52/18/32/775521832.db2.gz QQWIIPJQUHXLMP-CYBMUJFWSA-N 1 1 320.397 -1.283 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]12 ZINC001271000770 775522203 /nfs/dbraw/zinc/52/22/03/775522203.db2.gz QASFTBQLOYVYQR-NWDGAFQWSA-N 1 1 323.397 -1.465 20 0 DAADMO C[NH+]1CCN(CC(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)CC1 ZINC001271001118 775522306 /nfs/dbraw/zinc/52/23/06/775522306.db2.gz VFTUIKBLGICGOH-SFTQSGBHSA-N 1 1 310.398 -1.541 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)CC1 ZINC001270999189 775523380 /nfs/dbraw/zinc/52/33/80/775523380.db2.gz BFRDHQNPFNUJMP-ZDUSSCGKSA-N 1 1 320.397 -1.111 20 0 DAADMO CC[C@H](C(N)=O)N1C(=O)COCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001271011562 775524540 /nfs/dbraw/zinc/52/45/40/775524540.db2.gz DPNJDTLSCVOXIS-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(C[NH+]1CCC1)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001271016031 775524868 /nfs/dbraw/zinc/52/48/68/775524868.db2.gz ONFLKYUXJGIJBM-HNNXBMFYSA-N 1 1 309.366 -1.079 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@@]2(F)C1=O ZINC001271089902 775528027 /nfs/dbraw/zinc/52/80/27/775528027.db2.gz BIADJBTZFJEGCW-ZWKOPEQDSA-N 1 1 303.309 -1.216 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@@]2(F)C1=O ZINC001271089902 775528031 /nfs/dbraw/zinc/52/80/31/775528031.db2.gz BIADJBTZFJEGCW-ZWKOPEQDSA-N 1 1 303.309 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(N)=O)C1 ZINC001271101514 775528910 /nfs/dbraw/zinc/52/89/10/775528910.db2.gz UABBUCOIMMHALV-MRVPVSSYSA-N 1 1 306.313 -1.367 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C(N)=O)C1 ZINC001271101514 775528917 /nfs/dbraw/zinc/52/89/17/775528917.db2.gz UABBUCOIMMHALV-MRVPVSSYSA-N 1 1 306.313 -1.367 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001271098931 775529287 /nfs/dbraw/zinc/52/92/87/775529287.db2.gz VYHOBAUGUXRXLH-HUBLWGQQSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001271098931 775529294 /nfs/dbraw/zinc/52/92/94/775529294.db2.gz VYHOBAUGUXRXLH-HUBLWGQQSA-N 1 1 311.382 -1.241 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C=C(C)C)C1 ZINC001271108341 775529471 /nfs/dbraw/zinc/52/94/71/775529471.db2.gz BDVOZCZAAMPFBY-CQSZACIVSA-N 1 1 312.370 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C=C(C)C)C1 ZINC001271108341 775529479 /nfs/dbraw/zinc/52/94/79/775529479.db2.gz BDVOZCZAAMPFBY-CQSZACIVSA-N 1 1 312.370 -1.039 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@@]2(F)C1=O ZINC001271097988 775529893 /nfs/dbraw/zinc/52/98/93/775529893.db2.gz ABUVRLFTOHGWOY-RBJBARPLSA-N 1 1 303.309 -1.218 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@@]2(F)C1=O ZINC001271097988 775529900 /nfs/dbraw/zinc/52/99/00/775529900.db2.gz ABUVRLFTOHGWOY-RBJBARPLSA-N 1 1 303.309 -1.218 20 0 DAADMO CCOCCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001271131240 775534276 /nfs/dbraw/zinc/53/42/76/775534276.db2.gz ICHNXVJOACQLAN-CYBMUJFWSA-N 1 1 316.358 -1.839 20 0 DAADMO CCOCCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001271131240 775534280 /nfs/dbraw/zinc/53/42/80/775534280.db2.gz ICHNXVJOACQLAN-CYBMUJFWSA-N 1 1 316.358 -1.839 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1cnnn1C ZINC001087707734 775535222 /nfs/dbraw/zinc/53/52/22/775535222.db2.gz FVOAIAWZYJNAFI-SDDRHHMPSA-N 1 1 321.385 -1.034 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1cnnn1C ZINC001087707734 775535230 /nfs/dbraw/zinc/53/52/30/775535230.db2.gz FVOAIAWZYJNAFI-SDDRHHMPSA-N 1 1 321.385 -1.034 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087710734 775536486 /nfs/dbraw/zinc/53/64/86/775536486.db2.gz QDPYYDIITHMCAY-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087709736 775536641 /nfs/dbraw/zinc/53/66/41/775536641.db2.gz NZAOZPDGGURIFP-GARJFASQSA-N 1 1 317.411 -1.125 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087709736 775536650 /nfs/dbraw/zinc/53/66/50/775536650.db2.gz NZAOZPDGGURIFP-GARJFASQSA-N 1 1 317.411 -1.125 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC001087746911 775538020 /nfs/dbraw/zinc/53/80/20/775538020.db2.gz XSBCWBUHCGLXQT-NWDGAFQWSA-N 1 1 324.381 -1.341 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001087761693 775538137 /nfs/dbraw/zinc/53/81/37/775538137.db2.gz ILFAELCZQCUIEK-VHSXEESVSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(N)=O ZINC001087761693 775538145 /nfs/dbraw/zinc/53/81/45/775538145.db2.gz ILFAELCZQCUIEK-VHSXEESVSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC001087833119 775540970 /nfs/dbraw/zinc/54/09/70/775540970.db2.gz LSEPSSPZJDVJBL-HBNTYKKESA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCCOC)C1 ZINC001271154249 775541004 /nfs/dbraw/zinc/54/10/04/775541004.db2.gz ZWJMPUFRPFWZIF-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO CCOCCC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001271152682 775541492 /nfs/dbraw/zinc/54/14/92/775541492.db2.gz NMLAEUIHHMDBGP-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CC(N)=O ZINC001087840185 775541587 /nfs/dbraw/zinc/54/15/87/775541587.db2.gz LKNJGMYNRYYPEY-WCBMZHEXSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CC(N)=O ZINC001087840185 775541599 /nfs/dbraw/zinc/54/15/99/775541599.db2.gz LKNJGMYNRYYPEY-WCBMZHEXSA-N 1 1 323.357 -2.169 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001098706279 775541769 /nfs/dbraw/zinc/54/17/69/775541769.db2.gz XHTNRQRUAYZQJC-NSHDSACASA-N 1 1 322.369 -1.601 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1COC(=O)N1)c1nnnn1C1CC1 ZINC001126555301 775543028 /nfs/dbraw/zinc/54/30/28/775543028.db2.gz WUNKRHZUDKQKKV-IONNQARKSA-N 1 1 309.330 -1.117 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126554936 775543544 /nfs/dbraw/zinc/54/35/44/775543544.db2.gz SWKYKHHDMGSMNZ-VIFPVBQESA-N 1 1 311.346 -1.213 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1COC(=O)N1)c1nnnn1C1CC1 ZINC001126555300 775543580 /nfs/dbraw/zinc/54/35/80/775543580.db2.gz WUNKRHZUDKQKKV-CBAPKCEASA-N 1 1 309.330 -1.117 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158366 775543776 /nfs/dbraw/zinc/54/37/76/775543776.db2.gz ALOPEUYEFFXBHW-OQPBUACISA-N 1 1 300.359 -2.075 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158366 775543786 /nfs/dbraw/zinc/54/37/86/775543786.db2.gz ALOPEUYEFFXBHW-OQPBUACISA-N 1 1 300.359 -2.075 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001087856309 775543860 /nfs/dbraw/zinc/54/38/60/775543860.db2.gz KZRDJPAZGFTMFU-NEPJUHHUSA-N 1 1 324.381 -1.035 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087878945 775544349 /nfs/dbraw/zinc/54/43/49/775544349.db2.gz VSBHCEPNTSYZML-WOPDTQHZSA-N 1 1 319.369 -1.658 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087879630 775545017 /nfs/dbraw/zinc/54/50/17/775545017.db2.gz XNYYJWWYZYYRDP-GRYCIOLGSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001271160845 775545152 /nfs/dbraw/zinc/54/51/52/775545152.db2.gz YYAMZBHWLWAGOL-PELKAZGASA-N 1 1 309.313 -1.699 20 0 DAADMO CCOCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710781 775545985 /nfs/dbraw/zinc/54/59/85/775545985.db2.gz MCGMVQRFZRCFME-LLVKDONJSA-N 1 1 310.358 -1.337 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]2C1 ZINC001087952853 775546143 /nfs/dbraw/zinc/54/61/43/775546143.db2.gz UPOZUWLDFGVQDB-VWYCJHECSA-N 1 1 310.354 -1.379 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]2C1 ZINC001087955986 775546757 /nfs/dbraw/zinc/54/67/57/775546757.db2.gz RLDZCRJOAGHJRL-MNOVXSKESA-N 1 1 306.370 -1.045 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087915738 775546839 /nfs/dbraw/zinc/54/68/39/775546839.db2.gz ZRGRZPYQAHRDSS-NEPJUHHUSA-N 1 1 323.397 -1.333 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941855 775546966 /nfs/dbraw/zinc/54/69/66/775546966.db2.gz YFDYZWCSYYJFMJ-ZJUUUORDSA-N 1 1 308.342 -1.751 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941788 775547814 /nfs/dbraw/zinc/54/78/14/775547814.db2.gz VFGJTPIGRMHZRZ-AXFHLTTASA-N 1 1 322.369 -1.362 20 0 DAADMO C[NH+]1CCN(c2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)ncn2)CC1 ZINC001168041726 775549462 /nfs/dbraw/zinc/54/94/62/775549462.db2.gz CRVXJVGRIMXGDB-FKGLVLAHSA-N 1 1 323.397 -1.257 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 ZINC001087980307 775549577 /nfs/dbraw/zinc/54/95/77/775549577.db2.gz TYMJMZHMWCWPGZ-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271174570 775550451 /nfs/dbraw/zinc/55/04/51/775550451.db2.gz DHSKVJGYDOUMHV-VHSXEESVSA-N 1 1 319.369 -1.051 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271175998 775550695 /nfs/dbraw/zinc/55/06/95/775550695.db2.gz QRAZBTJBJOAMFT-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271175998 775550703 /nfs/dbraw/zinc/55/07/03/775550703.db2.gz QRAZBTJBJOAMFT-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271175996 775550713 /nfs/dbraw/zinc/55/07/13/775550713.db2.gz QRAZBTJBJOAMFT-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001271175996 775550719 /nfs/dbraw/zinc/55/07/19/775550719.db2.gz QRAZBTJBJOAMFT-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@@H]2C1 ZINC001087990421 775551112 /nfs/dbraw/zinc/55/11/12/775551112.db2.gz FOXBVKUGCJSCDN-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271175992 775551761 /nfs/dbraw/zinc/55/17/61/775551761.db2.gz QRAZBTJBJOAMFT-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271175992 775551770 /nfs/dbraw/zinc/55/17/70/775551770.db2.gz QRAZBTJBJOAMFT-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001088065154 775552805 /nfs/dbraw/zinc/55/28/05/775552805.db2.gz KBHPIAMKDVGIQR-FRRDWIJNSA-N 1 1 322.409 -1.009 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271183391 775553367 /nfs/dbraw/zinc/55/33/67/775553367.db2.gz BTPDGWNOTGVIGU-QMTHXVAHSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271183391 775553369 /nfs/dbraw/zinc/55/33/69/775553369.db2.gz BTPDGWNOTGVIGU-QMTHXVAHSA-N 1 1 314.386 -1.815 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088065552 775553500 /nfs/dbraw/zinc/55/35/00/775553500.db2.gz YPJITYOKIJKJTA-KGLIPLIRSA-N 1 1 324.425 -1.419 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183771 775553565 /nfs/dbraw/zinc/55/35/65/775553565.db2.gz DWHGNOLQOORQPC-GWCFXTLKSA-N 1 1 315.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066238 775553684 /nfs/dbraw/zinc/55/36/84/775553684.db2.gz CJNUEXWMVGIBKB-GRYCIOLGSA-N 1 1 323.397 -1.464 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183774 775554129 /nfs/dbraw/zinc/55/41/29/775554129.db2.gz DWHGNOLQOORQPC-ZWNOBZJWSA-N 1 1 315.370 -2.188 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO[C@H]2CCOC2)C1 ZINC001271185060 775554826 /nfs/dbraw/zinc/55/48/26/775554826.db2.gz RGPPNAYSSWKAEB-SMDDNHRTSA-N 1 1 315.370 -1.780 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271184624 775555217 /nfs/dbraw/zinc/55/52/17/775555217.db2.gz MXZBQRSIUBVVKR-AWEZNQCLSA-N 1 1 308.338 -1.372 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271184624 775555224 /nfs/dbraw/zinc/55/52/24/775555224.db2.gz MXZBQRSIUBVVKR-AWEZNQCLSA-N 1 1 308.338 -1.372 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001271185114 775555677 /nfs/dbraw/zinc/55/56/77/775555677.db2.gz SJQNHQFDIXEKCK-SKDRFNHKSA-N 1 1 319.383 -2.541 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001271185114 775555687 /nfs/dbraw/zinc/55/56/87/775555687.db2.gz SJQNHQFDIXEKCK-SKDRFNHKSA-N 1 1 319.383 -2.541 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001271218477 775556990 /nfs/dbraw/zinc/55/69/90/775556990.db2.gz AEUGYOCIPDYINV-ZANVPECISA-N 1 1 316.333 -1.503 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001271218477 775557003 /nfs/dbraw/zinc/55/70/03/775557003.db2.gz AEUGYOCIPDYINV-ZANVPECISA-N 1 1 316.333 -1.503 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001271211281 775557028 /nfs/dbraw/zinc/55/70/28/775557028.db2.gz WVTZMQDTKUKEJA-BXUZGUMPSA-N 1 1 301.387 -1.034 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001271218475 775557323 /nfs/dbraw/zinc/55/73/23/775557323.db2.gz AEUGYOCIPDYINV-TVQRCGJNSA-N 1 1 316.333 -1.503 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001271218475 775557332 /nfs/dbraw/zinc/55/73/32/775557332.db2.gz AEUGYOCIPDYINV-TVQRCGJNSA-N 1 1 316.333 -1.503 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001271223385 775558106 /nfs/dbraw/zinc/55/81/06/775558106.db2.gz QOHVLSPIYOHRRN-RDBSUJKOSA-N 1 1 324.425 -1.062 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001271211282 775558170 /nfs/dbraw/zinc/55/81/70/775558170.db2.gz WVTZMQDTKUKEJA-FZMZJTMJSA-N 1 1 301.387 -1.034 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088071920 775562648 /nfs/dbraw/zinc/56/26/48/775562648.db2.gz FTAHCCFCAYATSQ-BBBLOLIVSA-N 1 1 307.358 -1.522 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001271281882 775565188 /nfs/dbraw/zinc/56/51/88/775565188.db2.gz KTKZRHIGUNCVQB-GFCCVEGCSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001271297260 775566757 /nfs/dbraw/zinc/56/67/57/775566757.db2.gz CUTRMWVXPZHLNW-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1=O ZINC001271344037 775570489 /nfs/dbraw/zinc/57/04/89/775570489.db2.gz XYWIXIXCLSJCHX-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO COCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271344016 775570670 /nfs/dbraw/zinc/57/06/70/775570670.db2.gz XIVPMMHAEPIWFL-SNVBAGLBSA-N 1 1 300.359 -1.743 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1=O ZINC001271344035 775571121 /nfs/dbraw/zinc/57/11/21/775571121.db2.gz XYWIXIXCLSJCHX-NEPJUHHUSA-N 1 1 311.382 -1.336 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001271368836 775572831 /nfs/dbraw/zinc/57/28/31/775572831.db2.gz YSFQTZDPDSSBMF-UHFFFAOYSA-N 1 1 313.354 -1.761 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088369 775573775 /nfs/dbraw/zinc/57/37/75/775573775.db2.gz QLMHOZBDXLHGJO-ZJUUUORDSA-N 1 1 303.384 -1.703 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088369 775573781 /nfs/dbraw/zinc/57/37/81/775573781.db2.gz QLMHOZBDXLHGJO-ZJUUUORDSA-N 1 1 303.384 -1.703 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CCC(=O)N1 ZINC001088093721 775574037 /nfs/dbraw/zinc/57/40/37/775574037.db2.gz KCYJKVMJSNHXNZ-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CCNC1=O ZINC001088104768 775576105 /nfs/dbraw/zinc/57/61/05/775576105.db2.gz ZAJRRBPOISRQRA-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCNC1=O)C2 ZINC001271407777 775576266 /nfs/dbraw/zinc/57/62/66/775576266.db2.gz LZNGKFWBIGPKJU-TUAOUCFPSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088107568 775576652 /nfs/dbraw/zinc/57/66/52/775576652.db2.gz FKRXBGMCACCVDC-XQHKEYJVSA-N 1 1 322.409 -1.024 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001088138336 775578218 /nfs/dbraw/zinc/57/82/18/775578218.db2.gz GDRQWYKHPCCNMG-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112176992 775578240 /nfs/dbraw/zinc/57/82/40/775578240.db2.gz KOIUBCPIBFFHCD-HTQZYQBOSA-N 1 1 324.303 -1.071 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001088149966 775579221 /nfs/dbraw/zinc/57/92/21/775579221.db2.gz DPACGXWRIIYRMO-MNOVXSKESA-N 1 1 307.358 -1.671 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]2C1 ZINC001088165140 775579776 /nfs/dbraw/zinc/57/97/76/775579776.db2.gz QEFARWIQPGXJLQ-MNOVXSKESA-N 1 1 306.370 -1.127 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001088194938 775581936 /nfs/dbraw/zinc/58/19/36/775581936.db2.gz DYXVBPGZEXDVNO-MNOVXSKESA-N 1 1 322.365 -1.599 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)c(=O)n1C ZINC001088187410 775582920 /nfs/dbraw/zinc/58/29/20/775582920.db2.gz WOUUBCIFWUOMMN-OLZOCXBDSA-N 1 1 323.397 -1.337 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208434 775583187 /nfs/dbraw/zinc/58/31/87/775583187.db2.gz ZFMUHWRURJZOSB-RDBSUJKOSA-N 1 1 324.425 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237254 775583696 /nfs/dbraw/zinc/58/36/96/775583696.db2.gz OEOPCIPLJDKNIC-NSHDSACASA-N 1 1 312.370 -1.714 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237254 775583706 /nfs/dbraw/zinc/58/37/06/775583706.db2.gz OEOPCIPLJDKNIC-NSHDSACASA-N 1 1 312.370 -1.714 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cc3nc(N)n[nH]3)C2)C1 ZINC001271498854 775583972 /nfs/dbraw/zinc/58/39/72/775583972.db2.gz JLSUCDHKABDQFQ-UHFFFAOYSA-N 1 1 321.385 -1.448 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(CO)COC3)[C@@H]2C1 ZINC001271660896 775592370 /nfs/dbraw/zinc/59/23/70/775592370.db2.gz IPTYRVAWRYXTAZ-NWDGAFQWSA-N 1 1 311.382 -1.384 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3(CO)COC3)[C@@H]2C1 ZINC001271660896 775592377 /nfs/dbraw/zinc/59/23/77/775592377.db2.gz IPTYRVAWRYXTAZ-NWDGAFQWSA-N 1 1 311.382 -1.384 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C4(CO)COC4)CC3)[C@@H]2C1 ZINC001271661755 775592834 /nfs/dbraw/zinc/59/28/34/775592834.db2.gz WMFMCFRJRRGRKJ-VXGBXAGGSA-N 1 1 323.393 -1.336 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149137282 775593968 /nfs/dbraw/zinc/59/39/68/775593968.db2.gz NWJGHMMYFNMKEL-NEPJUHHUSA-N 1 1 314.386 -1.102 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001088284615 775595342 /nfs/dbraw/zinc/59/53/42/775595342.db2.gz IWCONCMTQLTQDQ-JTQLQIEISA-N 1 1 309.374 -1.054 20 0 DAADMO C[NH+]1CCN(CCCC(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001271818975 775597069 /nfs/dbraw/zinc/59/70/69/775597069.db2.gz RBBGMUPUVWGPOG-NWDGAFQWSA-N 1 1 323.397 -1.288 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001271831359 775597202 /nfs/dbraw/zinc/59/72/02/775597202.db2.gz FMGPEYFIBRXUKO-TXEJJXNPSA-N 1 1 315.370 -1.259 20 0 DAADMO Cn1ccc(CNC2CC[NH+](CCNC(=O)CC(N)=O)CC2)n1 ZINC001271904835 775602997 /nfs/dbraw/zinc/60/29/97/775602997.db2.gz IQHPGZQFYUGOTC-UHFFFAOYSA-N 1 1 322.413 -1.034 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CCNC2=O)C[C@]2(CCCC(=O)N2)C1 ZINC001271946182 775604579 /nfs/dbraw/zinc/60/45/79/775604579.db2.gz PNOWULNMLSGURC-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001271957185 775605844 /nfs/dbraw/zinc/60/58/44/775605844.db2.gz JOTUFKDPZRELIZ-VIFPVBQESA-N 1 1 309.330 -2.132 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001271957185 775605851 /nfs/dbraw/zinc/60/58/51/775605851.db2.gz JOTUFKDPZRELIZ-VIFPVBQESA-N 1 1 309.330 -2.132 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1cnn(C)c1 ZINC001271962331 775608677 /nfs/dbraw/zinc/60/86/77/775608677.db2.gz KMLAFABSOBHOPG-UHFFFAOYSA-N 1 1 322.369 -1.024 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001271996949 775610513 /nfs/dbraw/zinc/61/05/13/775610513.db2.gz SCFBUZPFGIFQTL-OAHLLOKOSA-N 1 1 324.381 -1.109 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC001228457499 775612046 /nfs/dbraw/zinc/61/20/46/775612046.db2.gz RVPSHXJPSCNPGB-UHFFFAOYSA-N 1 1 321.403 -2.633 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088461278 775612106 /nfs/dbraw/zinc/61/21/06/775612106.db2.gz ZUEGSCAOHNWFDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088461278 775612114 /nfs/dbraw/zinc/61/21/14/775612114.db2.gz ZUEGSCAOHNWFDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NCCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001126689018 775619329 /nfs/dbraw/zinc/61/93/29/775619329.db2.gz PWGHQYZTMAASCV-UHFFFAOYSA-N 1 1 315.353 -1.228 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001272058995 775620334 /nfs/dbraw/zinc/62/03/34/775620334.db2.gz DVARGNFWZLVJOH-SNVBAGLBSA-N 1 1 322.369 -1.347 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001272058995 775620340 /nfs/dbraw/zinc/62/03/40/775620340.db2.gz DVARGNFWZLVJOH-SNVBAGLBSA-N 1 1 322.369 -1.347 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059568 775622088 /nfs/dbraw/zinc/62/20/88/775622088.db2.gz MVXRLISXEGMVJD-CHWSQXEVSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059568 775622095 /nfs/dbraw/zinc/62/20/95/775622095.db2.gz MVXRLISXEGMVJD-CHWSQXEVSA-N 1 1 323.393 -1.072 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001272064407 775623021 /nfs/dbraw/zinc/62/30/21/775623021.db2.gz DGGPYMDAMSWNHS-WYUUTHIRSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001272064407 775623022 /nfs/dbraw/zinc/62/30/22/775623022.db2.gz DGGPYMDAMSWNHS-WYUUTHIRSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCN1CCCC1=O ZINC001088570268 775625014 /nfs/dbraw/zinc/62/50/14/775625014.db2.gz LLYATZQXOMXUDA-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088569875 775625404 /nfs/dbraw/zinc/62/54/04/775625404.db2.gz PGAVNOSYGQVQFI-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088569875 775625418 /nfs/dbraw/zinc/62/54/18/775625418.db2.gz PGAVNOSYGQVQFI-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088569650 775625552 /nfs/dbraw/zinc/62/55/52/775625552.db2.gz DANNGCWVFBPWAD-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088569650 775625557 /nfs/dbraw/zinc/62/55/57/775625557.db2.gz DANNGCWVFBPWAD-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCN1CCNC1=O ZINC001088570294 775626014 /nfs/dbraw/zinc/62/60/14/775626014.db2.gz NEYLREUTVVVJQB-MNOVXSKESA-N 1 1 322.373 -1.723 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602109 775628890 /nfs/dbraw/zinc/62/88/90/775628890.db2.gz WWWPXYUJRZZPHF-MXWKQRLJSA-N 1 1 324.381 -1.151 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602109 775628895 /nfs/dbraw/zinc/62/88/95/775628895.db2.gz WWWPXYUJRZZPHF-MXWKQRLJSA-N 1 1 324.381 -1.151 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602110 775628988 /nfs/dbraw/zinc/62/89/88/775628988.db2.gz WWWPXYUJRZZPHF-VWYCJHECSA-N 1 1 324.381 -1.151 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602110 775628991 /nfs/dbraw/zinc/62/89/91/775628991.db2.gz WWWPXYUJRZZPHF-VWYCJHECSA-N 1 1 324.381 -1.151 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001211972410 775629529 /nfs/dbraw/zinc/62/95/29/775629529.db2.gz LSCCTRQVJZKDDB-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001212017298 775631933 /nfs/dbraw/zinc/63/19/33/775631933.db2.gz DMUIXCFDXINPFN-IRCOFANPSA-N 1 1 315.370 -1.912 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001088605548 775632300 /nfs/dbraw/zinc/63/23/00/775632300.db2.gz WAQKGIWTARYPHF-ZJUUUORDSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CC(N)=O ZINC001088605548 775632306 /nfs/dbraw/zinc/63/23/06/775632306.db2.gz WAQKGIWTARYPHF-ZJUUUORDSA-N 1 1 323.353 -2.389 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212048333 775633091 /nfs/dbraw/zinc/63/30/91/775633091.db2.gz YSIJAKZNNFZNCQ-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CC(N)=O ZINC001212068773 775633785 /nfs/dbraw/zinc/63/37/85/775633785.db2.gz BBULSCNUZHFGBR-VXGBXAGGSA-N 1 1 322.365 -1.424 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 ZINC001212067571 775634411 /nfs/dbraw/zinc/63/44/11/775634411.db2.gz ZGXGBGIUACAKLI-YNEHKIRRSA-N 1 1 312.370 -1.225 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C2)C1=O ZINC001212073498 775636177 /nfs/dbraw/zinc/63/61/77/775636177.db2.gz CJGNLZWUORIPAU-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C2)C1=O ZINC001212073498 775636180 /nfs/dbraw/zinc/63/61/80/775636180.db2.gz CJGNLZWUORIPAU-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2COCCO2)n1 ZINC001272116265 775637589 /nfs/dbraw/zinc/63/75/89/775637589.db2.gz DARIYFCKLBJWJP-CYBMUJFWSA-N 1 1 312.370 -1.254 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)Cn2cnnn2)n1 ZINC001272110079 775637787 /nfs/dbraw/zinc/63/77/87/775637787.db2.gz QIFZKOWAWXYRFE-UHFFFAOYSA-N 1 1 308.346 -1.983 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098645952 775637961 /nfs/dbraw/zinc/63/79/61/775637961.db2.gz YSZBNLMIUZSLKB-GFCCVEGCSA-N 1 1 324.385 -1.340 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cnsn1 ZINC001272125208 775638038 /nfs/dbraw/zinc/63/80/38/775638038.db2.gz VYZNZNHZWRCITL-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272125390 775638068 /nfs/dbraw/zinc/63/80/68/775638068.db2.gz BQYJISVWSUBDQG-VIFPVBQESA-N 1 1 314.342 -1.822 20 0 DAADMO Cc1nc(C[NH2+]CCN(CCO)C(=O)Cn2cnnn2)co1 ZINC001272109452 775638171 /nfs/dbraw/zinc/63/81/71/775638171.db2.gz FMEMGTQFVXQHLY-UHFFFAOYSA-N 1 1 309.330 -1.420 20 0 DAADMO CCn1cc(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)cn1 ZINC001272129823 775639263 /nfs/dbraw/zinc/63/92/63/775639263.db2.gz RFBJAINXDXGWGW-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001272149841 775640134 /nfs/dbraw/zinc/64/01/34/775640134.db2.gz FAIGQVUNPSNRCE-VIFPVBQESA-N 1 1 313.362 -2.218 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001272155393 775641305 /nfs/dbraw/zinc/64/13/05/775641305.db2.gz RHZDPFCFKBFXKX-JTQLQIEISA-N 1 1 312.330 -2.166 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CC(=O)N4)CC3)[C@H]2C1 ZINC001272157644 775641427 /nfs/dbraw/zinc/64/14/27/775641427.db2.gz UHYYKBDDDKTXRD-DCAQKATOSA-N 1 1 306.366 -1.456 20 0 DAADMO O=C(Cn1ncnn1)N(CCO)CC[NH2+]Cc1nccs1 ZINC001272167854 775643828 /nfs/dbraw/zinc/64/38/28/775643828.db2.gz BSRNCMAMCVOXMY-UHFFFAOYSA-N 1 1 311.371 -1.260 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)COCCO)CC3)[C@@H]2C1 ZINC001272166180 775644091 /nfs/dbraw/zinc/64/40/91/775644091.db2.gz HXGDNMJUTUIIFF-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)COCCO)CC3)[C@H]2C1 ZINC001272166179 775644308 /nfs/dbraw/zinc/64/43/08/775644308.db2.gz HXGDNMJUTUIIFF-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@@H+]1CC(N)=O ZINC001088662762 775645463 /nfs/dbraw/zinc/64/54/63/775645463.db2.gz XYRMIENOUYXAED-KOLCDFICSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@H+]1CC(N)=O ZINC001088662762 775645470 /nfs/dbraw/zinc/64/54/70/775645470.db2.gz XYRMIENOUYXAED-KOLCDFICSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(=O)N(C)C ZINC001088682385 775645495 /nfs/dbraw/zinc/64/54/95/775645495.db2.gz WZMXOSNWJKOCMV-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(=O)N(C)C ZINC001088682385 775645502 /nfs/dbraw/zinc/64/55/02/775645502.db2.gz WZMXOSNWJKOCMV-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO Cc1ncn(C)c1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001272189117 775646734 /nfs/dbraw/zinc/64/67/34/775646734.db2.gz DKVPBZWLJWCBFJ-UHFFFAOYSA-N 1 1 322.373 -1.524 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@@H+]1CC(N)=O ZINC001088676268 775646748 /nfs/dbraw/zinc/64/67/48/775646748.db2.gz YVHDNUKPOPONBC-BBBLOLIVSA-N 1 1 322.369 -1.390 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@H+]1CC(N)=O ZINC001088676268 775646754 /nfs/dbraw/zinc/64/67/54/775646754.db2.gz YVHDNUKPOPONBC-BBBLOLIVSA-N 1 1 322.369 -1.390 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC001088675269 775646897 /nfs/dbraw/zinc/64/68/97/775646897.db2.gz HGBNBRMMKQETAF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001088763127 775656868 /nfs/dbraw/zinc/65/68/68/775656868.db2.gz PCHDNUTULPZNDW-VWYCJHECSA-N 1 1 317.411 -1.111 20 0 DAADMO CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C ZINC001272226492 775657171 /nfs/dbraw/zinc/65/71/71/775657171.db2.gz WEYJSOPSYAWPDV-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088793397 775657227 /nfs/dbraw/zinc/65/72/27/775657227.db2.gz FYGJABFAGQGHEF-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088793397 775657238 /nfs/dbraw/zinc/65/72/38/775657238.db2.gz FYGJABFAGQGHEF-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088795706 775658510 /nfs/dbraw/zinc/65/85/10/775658510.db2.gz LAJVIWJJHOMIJB-USWWRNFRSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088795706 775658518 /nfs/dbraw/zinc/65/85/18/775658518.db2.gz LAJVIWJJHOMIJB-USWWRNFRSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCn1cncn1 ZINC001088801023 775658559 /nfs/dbraw/zinc/65/85/59/775658559.db2.gz DONIQISNJARGHV-ZJUUUORDSA-N 1 1 305.346 -1.306 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CCn1cncn1 ZINC001088794459 775659281 /nfs/dbraw/zinc/65/92/81/775659281.db2.gz FQTQEIDSFRQOEQ-WOPDTQHZSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CCN1CCNC1=O ZINC001088828157 775662522 /nfs/dbraw/zinc/66/25/22/775662522.db2.gz BMMXWLBVQBJJPX-VWYCJHECSA-N 1 1 324.385 -1.728 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001272250409 775662604 /nfs/dbraw/zinc/66/26/04/775662604.db2.gz DLXMTLNCECBCOT-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088828844 775663496 /nfs/dbraw/zinc/66/34/96/775663496.db2.gz WNAYUNUBECBSDU-ADEWGFFLSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088828844 775663503 /nfs/dbraw/zinc/66/35/03/775663503.db2.gz WNAYUNUBECBSDU-ADEWGFFLSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CCN1CCNC1=O ZINC001088828156 775663741 /nfs/dbraw/zinc/66/37/41/775663741.db2.gz BMMXWLBVQBJJPX-OUAUKWLOSA-N 1 1 324.385 -1.728 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088832521 775664429 /nfs/dbraw/zinc/66/44/29/775664429.db2.gz SLMOZMQABIQYKN-SCZZXKLOSA-N 1 1 323.353 -2.352 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088832521 775664436 /nfs/dbraw/zinc/66/44/36/775664436.db2.gz SLMOZMQABIQYKN-SCZZXKLOSA-N 1 1 323.353 -2.352 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)n[nH]1 ZINC001126921408 775664955 /nfs/dbraw/zinc/66/49/55/775664955.db2.gz NSYKVFCUMRJCDU-SNVBAGLBSA-N 1 1 324.385 -1.391 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)n[nH]1 ZINC001126926167 775665213 /nfs/dbraw/zinc/66/52/13/775665213.db2.gz HUCBHLBUFQRGOE-NSHDSACASA-N 1 1 307.358 -1.381 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098661039 775665289 /nfs/dbraw/zinc/66/52/89/775665289.db2.gz BAGDPCKHYOVNEF-GFCCVEGCSA-N 1 1 324.385 -1.340 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC001126921083 775665308 /nfs/dbraw/zinc/66/53/08/775665308.db2.gz HOVAUOHFNBNMKL-JTQLQIEISA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H](O)C[NH+]1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001105685850 775666832 /nfs/dbraw/zinc/66/68/32/775666832.db2.gz JDMVDTOMEMAJLN-JTQLQIEISA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@H](OC)C1 ZINC001212131383 775668174 /nfs/dbraw/zinc/66/81/74/775668174.db2.gz NIQXSHURGYLESJ-QNWHQSFQSA-N 1 1 302.371 -1.012 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2ccnnc2)nn1 ZINC001272265873 775668916 /nfs/dbraw/zinc/66/89/16/775668916.db2.gz YSMVGHMHKRAYCH-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001127082781 775675401 /nfs/dbraw/zinc/67/54/01/775675401.db2.gz YOOUBFFKWOBXCV-UHFFFAOYSA-N 1 1 315.399 -1.070 20 0 DAADMO COC[C@H](O)C[NH+]1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001105720677 775680246 /nfs/dbraw/zinc/68/02/46/775680246.db2.gz BOLVIJHXGJSHTA-SNVBAGLBSA-N 1 1 315.370 -1.829 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001105720675 775680635 /nfs/dbraw/zinc/68/06/35/775680635.db2.gz BOLVIJHXGJSHTA-JTQLQIEISA-N 1 1 315.370 -1.829 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212154091 775684873 /nfs/dbraw/zinc/68/48/73/775684873.db2.gz BUDWUXVNNFGRRZ-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212154093 775685118 /nfs/dbraw/zinc/68/51/18/775685118.db2.gz BUDWUXVNNFGRRZ-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212158747 775686855 /nfs/dbraw/zinc/68/68/55/775686855.db2.gz HUYZWTPSWMEMCG-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212158747 775686866 /nfs/dbraw/zinc/68/68/66/775686866.db2.gz HUYZWTPSWMEMCG-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nccnc2F)C1 ZINC001105769265 775687942 /nfs/dbraw/zinc/68/79/42/775687942.db2.gz JHIYCYIVXPFRTO-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nccnc2F)C1 ZINC001105769265 775687950 /nfs/dbraw/zinc/68/79/50/775687950.db2.gz JHIYCYIVXPFRTO-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc(F)ncn2)C1 ZINC001105769281 775689370 /nfs/dbraw/zinc/68/93/70/775689370.db2.gz JNUIGBXLNZOLHU-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc(F)ncn2)C1 ZINC001105769281 775689376 /nfs/dbraw/zinc/68/93/76/775689376.db2.gz JNUIGBXLNZOLHU-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ncc(F)cn2)C1 ZINC001105769401 775689736 /nfs/dbraw/zinc/68/97/36/775689736.db2.gz LCTTVVUZNZYSMI-GHMZBOCLSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ncc(F)cn2)C1 ZINC001105769401 775689741 /nfs/dbraw/zinc/68/97/41/775689741.db2.gz LCTTVVUZNZYSMI-GHMZBOCLSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2ncc(F)cn2)C1 ZINC001105769402 775689986 /nfs/dbraw/zinc/68/99/86/775689986.db2.gz LCTTVVUZNZYSMI-MNOVXSKESA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2ncc(F)cn2)C1 ZINC001105769402 775689989 /nfs/dbraw/zinc/68/99/89/775689989.db2.gz LCTTVVUZNZYSMI-MNOVXSKESA-N 1 1 313.333 -1.165 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105944646 775717219 /nfs/dbraw/zinc/71/72/19/775717219.db2.gz WHHMFSZSBWOXHN-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001105975411 775719957 /nfs/dbraw/zinc/71/99/57/775719957.db2.gz VLPYBGSRYMHQQY-JTQLQIEISA-N 1 1 306.330 -1.331 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001088896174 775733248 /nfs/dbraw/zinc/73/32/48/775733248.db2.gz RYMDQEODXBOAJX-SCZZXKLOSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CC(N)=O ZINC001088896174 775733253 /nfs/dbraw/zinc/73/32/53/775733253.db2.gz RYMDQEODXBOAJX-SCZZXKLOSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn3nccc3c2=O)CC[N@H+]1CCO ZINC001088895260 775733980 /nfs/dbraw/zinc/73/39/80/775733980.db2.gz RQSHXCMWIYGHBI-MNOVXSKESA-N 1 1 320.353 -1.538 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@H+]1CCO ZINC001088915212 775735427 /nfs/dbraw/zinc/73/54/27/775735427.db2.gz PETWBFPKQHSSIG-LISWRGBSSA-N 1 1 310.354 -1.454 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@H+]1CCCO ZINC001088913169 775735486 /nfs/dbraw/zinc/73/54/86/775735486.db2.gz JYNXHDVQXPWBHU-GRYCIOLGSA-N 1 1 319.427 -1.018 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](C[C@H](C)O)[C@@H]2C)c(=O)n1C ZINC001089013208 775737474 /nfs/dbraw/zinc/73/74/74/775737474.db2.gz HYUZKKLNQDYVOK-UMNHJUIQSA-N 1 1 311.386 -1.150 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC001089026347 775737609 /nfs/dbraw/zinc/73/76/09/775737609.db2.gz FLTZLSDCISKKSW-AXFHLTTASA-N 1 1 312.370 -1.160 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@H+]1CCN1CCNC1=O ZINC001089025737 775737977 /nfs/dbraw/zinc/73/79/77/775737977.db2.gz XFMUXRQYRPWOSY-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001088979069 775738729 /nfs/dbraw/zinc/73/87/29/775738729.db2.gz RUUNVIBCLYCHQY-AEJSXWLSSA-N 1 1 320.353 -1.009 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1C ZINC001089076544 775740647 /nfs/dbraw/zinc/74/06/47/775740647.db2.gz JSEBWIPKFIGXAS-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1C ZINC001089076544 775740656 /nfs/dbraw/zinc/74/06/56/775740656.db2.gz JSEBWIPKFIGXAS-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nncn3C2)CC[N@@H+]1CC(N)=O ZINC001089057690 775740940 /nfs/dbraw/zinc/74/09/40/775740940.db2.gz JKTMPEAGIQUGOB-VWYCJHECSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nncn3C2)CC[N@H+]1CC(N)=O ZINC001089057690 775740948 /nfs/dbraw/zinc/74/09/48/775740948.db2.gz JKTMPEAGIQUGOB-VWYCJHECSA-N 1 1 306.370 -1.095 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089059690 775740972 /nfs/dbraw/zinc/74/09/72/775740972.db2.gz WDKJLNXBQKGVMI-MXWKQRLJSA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)CC[N@@H+]1CC(N)=O ZINC001089057689 775741220 /nfs/dbraw/zinc/74/12/20/775741220.db2.gz JKTMPEAGIQUGOB-MXWKQRLJSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)CC[N@H+]1CC(N)=O ZINC001089057689 775741224 /nfs/dbraw/zinc/74/12/24/775741224.db2.gz JKTMPEAGIQUGOB-MXWKQRLJSA-N 1 1 306.370 -1.095 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106088281 775742005 /nfs/dbraw/zinc/74/20/05/775742005.db2.gz CMPFHFNDMBREDP-NXEZZACHSA-N 1 1 308.342 -1.336 20 0 DAADMO O=C(Cc1nnc[nH]1)N(CCO)CC[NH2+]Cc1cnns1 ZINC001272290170 775743011 /nfs/dbraw/zinc/74/30/11/775743011.db2.gz MFCYNOVISAMEBO-UHFFFAOYSA-N 1 1 311.371 -1.191 20 0 DAADMO CCc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106089105 775744487 /nfs/dbraw/zinc/74/44/87/775744487.db2.gz PQFFUZLSMSXTBQ-MNOVXSKESA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001106088424 775744802 /nfs/dbraw/zinc/74/48/02/775744802.db2.gz GKSSFAHEKJMBIE-WDEREUQCSA-N 1 1 322.369 -1.028 20 0 DAADMO C[N@@H+]1CC[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@H]2CC1 ZINC001272326067 775749468 /nfs/dbraw/zinc/74/94/68/775749468.db2.gz RMUGJFYMWZINSQ-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C)c1nnnn1C ZINC001272381041 775754767 /nfs/dbraw/zinc/75/47/67/775754767.db2.gz PAGILMNHHNEHPS-RKDXNWHRSA-N 1 1 312.374 -1.047 20 0 DAADMO NC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C2CC2)s1 ZINC001272381604 775756610 /nfs/dbraw/zinc/75/66/10/775756610.db2.gz VBFZRAQBZWPFGE-MRVPVSSYSA-N 1 1 313.383 -1.142 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCNC2=O)nn1 ZINC001272442198 775759065 /nfs/dbraw/zinc/75/90/65/775759065.db2.gz CXCHZMMOIQDNGG-VXGBXAGGSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001272461403 775763431 /nfs/dbraw/zinc/76/34/31/775763431.db2.gz OTURYXCGTAZPHC-LURJTMIESA-N 1 1 323.325 -1.514 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)oc1C ZINC001272496154 775765830 /nfs/dbraw/zinc/76/58/30/775765830.db2.gz MAAYDHMXCHPPNI-WDEREUQCSA-N 1 1 310.354 -1.006 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001272503889 775767367 /nfs/dbraw/zinc/76/73/67/775767367.db2.gz IHPUMDBUIKXMDM-VHSXEESVSA-N 1 1 311.342 -1.577 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1COCCO1)CCNS(C)(=O)=O ZINC001234244665 775772292 /nfs/dbraw/zinc/77/22/92/775772292.db2.gz SGNPIPAASYOVCH-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001272575815 775780296 /nfs/dbraw/zinc/78/02/96/775780296.db2.gz RIHXWDPSHUKISB-SNVBAGLBSA-N 1 1 324.337 -1.301 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001272574437 775780740 /nfs/dbraw/zinc/78/07/40/775780740.db2.gz HKSOMAGRPRWWEB-QWRGUYRKSA-N 1 1 307.416 -1.951 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583818 775783426 /nfs/dbraw/zinc/78/34/26/775783426.db2.gz KPTXOPQRAKTTTJ-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001272592382 775785646 /nfs/dbraw/zinc/78/56/46/775785646.db2.gz NURYXKMQBOIHGX-WPRPVWTQSA-N 1 1 310.310 -1.706 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001127374541 775792743 /nfs/dbraw/zinc/79/27/43/775792743.db2.gz UFZSKMUMBQLPQQ-UHFFFAOYSA-N 1 1 322.369 -1.194 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2C(=O)CC(C)(C)C2=O)n1 ZINC001127374283 775793442 /nfs/dbraw/zinc/79/34/42/775793442.db2.gz MWDPJMGUSLZILI-UHFFFAOYSA-N 1 1 322.369 -1.194 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001272627908 775794313 /nfs/dbraw/zinc/79/43/13/775794313.db2.gz BKHGJVINXBCYSW-TUAOUCFPSA-N 1 1 307.354 -1.466 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001272627908 775794322 /nfs/dbraw/zinc/79/43/22/775794322.db2.gz BKHGJVINXBCYSW-TUAOUCFPSA-N 1 1 307.354 -1.466 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001272628358 775794465 /nfs/dbraw/zinc/79/44/65/775794465.db2.gz GFMMXRDDKCQBMG-DVZHBHJUSA-N 1 1 323.393 -1.195 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001272628358 775794476 /nfs/dbraw/zinc/79/44/76/775794476.db2.gz GFMMXRDDKCQBMG-DVZHBHJUSA-N 1 1 323.393 -1.195 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@H]2C(N)=O)c1 ZINC001272628199 775795162 /nfs/dbraw/zinc/79/51/62/775795162.db2.gz DOOLDBSNMRBZGE-WGBDABJCSA-N 1 1 321.381 -1.488 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313172 775798761 /nfs/dbraw/zinc/79/87/61/775798761.db2.gz NXLSJHPWOSIGQJ-UHFFFAOYSA-N 1 1 305.346 -1.415 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001212228584 775802425 /nfs/dbraw/zinc/80/24/25/775802425.db2.gz PIHSUTFLCBQDLD-GHMZBOCLSA-N 1 1 302.375 -1.233 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212228629 775802504 /nfs/dbraw/zinc/80/25/04/775802504.db2.gz RKAXZUPRBXBFCS-GMTAPVOTSA-N 1 1 302.375 -1.498 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)Cn2ncnn2)nn1 ZINC001127437456 775803940 /nfs/dbraw/zinc/80/39/40/775803940.db2.gz BULCZJHQEGXPRI-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN(C)S(C)(=O)=O ZINC001123824450 775804237 /nfs/dbraw/zinc/80/42/37/775804237.db2.gz CMPPTEHMFYPKFW-VXGBXAGGSA-N 1 1 318.443 -1.228 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127442335 775804848 /nfs/dbraw/zinc/80/48/48/775804848.db2.gz AFLSILLWTCAHED-UHFFFAOYSA-N 1 1 308.350 -1.634 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)n1 ZINC001089464753 775805664 /nfs/dbraw/zinc/80/56/64/775805664.db2.gz KTVHDNQZQWZADD-SECBINFHSA-N 1 1 309.374 -1.084 20 0 DAADMO CC1(C)C[C@H](NC(=O)C(N)=O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001089478851 775807758 /nfs/dbraw/zinc/80/77/58/775807758.db2.gz BKOMTVZFQVXLKE-NXEZZACHSA-N 1 1 324.381 -1.116 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124084240 775812281 /nfs/dbraw/zinc/81/22/81/775812281.db2.gz HUOARZLAPMAIQF-UHFFFAOYSA-N 1 1 309.374 -1.014 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@@H](C)NC(N)=O ZINC001212279412 775813470 /nfs/dbraw/zinc/81/34/70/775813470.db2.gz LJCDNZXNGCLJQN-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@H](C)NC(N)=O ZINC001212279414 775813826 /nfs/dbraw/zinc/81/38/26/775813826.db2.gz LJCDNZXNGCLJQN-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212272769 775814659 /nfs/dbraw/zinc/81/46/59/775814659.db2.gz YTVNYQDLDNZVQH-GMTAPVOTSA-N 1 1 302.375 -1.105 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212270192 775814686 /nfs/dbraw/zinc/81/46/86/775814686.db2.gz HAAWPTHRXHISAT-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001212285173 775815410 /nfs/dbraw/zinc/81/54/10/775815410.db2.gz XGIKHGIXVBZKIB-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001212299991 775815631 /nfs/dbraw/zinc/81/56/31/775815631.db2.gz SYYAVMPCXAWLDC-JLNYLFASSA-N 1 1 314.382 -1.153 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001089785976 775815694 /nfs/dbraw/zinc/81/56/94/775815694.db2.gz FISKSCQNAXRSKA-QCNOEVLYSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089771547 775816180 /nfs/dbraw/zinc/81/61/80/775816180.db2.gz ZZISNTDDQNRGIT-QCNOEVLYSA-N 1 1 319.369 -1.673 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001212285087 775816510 /nfs/dbraw/zinc/81/65/10/775816510.db2.gz UGZXVUQQRNSACF-CHWSQXEVSA-N 1 1 324.385 -1.085 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212308662 775817090 /nfs/dbraw/zinc/81/70/90/775817090.db2.gz DWKMBBWKSYRTHY-HBNTYKKESA-N 1 1 303.359 -2.055 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2nccn2)C1 ZINC001089813946 775817673 /nfs/dbraw/zinc/81/76/73/775817673.db2.gz ZYQHJDVHIQOILO-CYDGBPFRSA-N 1 1 318.381 -1.068 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@H](OC)C1 ZINC001212330305 775817933 /nfs/dbraw/zinc/81/79/33/775817933.db2.gz OJEPGEYJYKXDLN-IJLUTSLNSA-N 1 1 313.358 -1.899 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1nncn1C ZINC001127653426 775819673 /nfs/dbraw/zinc/81/96/73/775819673.db2.gz WRUWTRPMRVCULI-QMMMGPOBSA-N 1 1 321.345 -2.028 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001127652789 775819882 /nfs/dbraw/zinc/81/98/82/775819882.db2.gz BXYRMMRSRIWUAR-UHFFFAOYSA-N 1 1 307.318 -2.290 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089852926 775821844 /nfs/dbraw/zinc/82/18/44/775821844.db2.gz MMCTXZKSSIILKY-BJDJZHNGSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089854054 775822151 /nfs/dbraw/zinc/82/21/51/775822151.db2.gz ZPHPYBDQGOXCLP-SQNXGDPESA-N 1 1 318.381 -1.031 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653562 775822689 /nfs/dbraw/zinc/82/26/89/775822689.db2.gz YANOSKSEHQDTHO-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C(N)=O)CC1 ZINC001089859619 775823767 /nfs/dbraw/zinc/82/37/67/775823767.db2.gz QQCFWNAAIPIUKX-YFKTTZPYSA-N 1 1 320.393 -1.094 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860546 775826428 /nfs/dbraw/zinc/82/64/28/775826428.db2.gz XSODIQNAUMQHBZ-VLEAKVRGSA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860546 775826435 /nfs/dbraw/zinc/82/64/35/775826435.db2.gz XSODIQNAUMQHBZ-VLEAKVRGSA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860541 775827006 /nfs/dbraw/zinc/82/70/06/775827006.db2.gz XSODIQNAUMQHBZ-MMWGEVLESA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860541 775827014 /nfs/dbraw/zinc/82/70/14/775827014.db2.gz XSODIQNAUMQHBZ-MMWGEVLESA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1cnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860525 775827030 /nfs/dbraw/zinc/82/70/30/775827030.db2.gz XPVPSMOUQCVZJR-QCNOEVLYSA-N 1 1 318.381 -1.031 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124879323 775832289 /nfs/dbraw/zinc/83/22/89/775832289.db2.gz RJKDQFOIBDVEAA-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124873555 775832453 /nfs/dbraw/zinc/83/24/53/775832453.db2.gz YAXDWQXUBLRGAV-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO Cn1ncc2c1nc(C[NH2+]CCNC(=O)CC(N)=O)[nH]c2=O ZINC001125080008 775836860 /nfs/dbraw/zinc/83/68/60/775836860.db2.gz LCFMBZFPNRJRAI-UHFFFAOYSA-N 1 1 307.314 -1.850 20 0 DAADMO Cc1c(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)nnn1C ZINC001125175424 775839593 /nfs/dbraw/zinc/83/95/93/775839593.db2.gz SGPRVSAOTJRFLS-UHFFFAOYSA-N 1 1 305.346 -1.035 20 0 DAADMO CN(C)c1noc(CNCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125213620 775840352 /nfs/dbraw/zinc/84/03/52/775840352.db2.gz IWOQXOXALISLNQ-JTQLQIEISA-N 1 1 312.374 -1.328 20 0 DAADMO CN(C)c1noc(CNCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125213620 775840356 /nfs/dbraw/zinc/84/03/56/775840356.db2.gz IWOQXOXALISLNQ-JTQLQIEISA-N 1 1 312.374 -1.328 20 0 DAADMO CCOC(=O)CC1(NS(=O)(=O)C2CC[NH2+]CC2)CNC1 ZINC001238529257 775847741 /nfs/dbraw/zinc/84/77/41/775847741.db2.gz XVPLCWATKOLXCL-UHFFFAOYSA-N 1 1 305.400 -1.047 20 0 DAADMO CCNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107162163 775850824 /nfs/dbraw/zinc/85/08/24/775850824.db2.gz HROVCQZRPZSZDK-JTQLQIEISA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107152432 775850843 /nfs/dbraw/zinc/85/08/43/775850843.db2.gz BKVJBGIQRAABAK-JTQLQIEISA-N 1 1 324.385 -1.213 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107152747 775851368 /nfs/dbraw/zinc/85/13/68/775851368.db2.gz IPZOICYEVOLAPU-VIFPVBQESA-N 1 1 310.358 -1.339 20 0 DAADMO CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107152746 775851605 /nfs/dbraw/zinc/85/16/05/775851605.db2.gz IPZOICYEVOLAPU-SECBINFHSA-N 1 1 310.358 -1.339 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 ZINC001107175720 775852619 /nfs/dbraw/zinc/85/26/19/775852619.db2.gz SDWHDABAQSUPKP-SNVBAGLBSA-N 1 1 320.357 -1.577 20 0 DAADMO CCC[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107173036 775853016 /nfs/dbraw/zinc/85/30/16/775853016.db2.gz YPSXBLHQXSFFGX-UHFFFAOYSA-N 1 1 305.346 -1.152 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 ZINC001107191458 775855235 /nfs/dbraw/zinc/85/52/35/775855235.db2.gz WVLHEGIVHFCMHX-NXEZZACHSA-N 1 1 324.385 -1.357 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001107279003 775858580 /nfs/dbraw/zinc/85/85/80/775858580.db2.gz IICTYOBJEATYEQ-BXUZGUMPSA-N 1 1 321.385 -1.220 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CCn3cnnn3)nn2)C1 ZINC001107223415 775858769 /nfs/dbraw/zinc/85/87/69/775858769.db2.gz YSZGHPFIXNPPJZ-UHFFFAOYSA-N 1 1 305.346 -1.152 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 ZINC001107242592 775859240 /nfs/dbraw/zinc/85/92/40/775859240.db2.gz VLZQCUMAXVKRCN-JTQLQIEISA-N 1 1 324.385 -1.213 20 0 DAADMO NC(=O)CCCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107241832 775859430 /nfs/dbraw/zinc/85/94/30/775859430.db2.gz GGZBLGFZPATOBZ-UHFFFAOYSA-N 1 1 324.385 -1.211 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777766 775861702 /nfs/dbraw/zinc/86/17/02/775861702.db2.gz BOOKIECLSDCQCR-OLZOCXBDSA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779179 775864850 /nfs/dbraw/zinc/86/48/50/775864850.db2.gz JTPBELZMHCFKIC-VHSXEESVSA-N 1 1 310.358 -1.421 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 ZINC001107530369 775866413 /nfs/dbraw/zinc/86/64/13/775866413.db2.gz NTTQQPSRSXQBPY-ZWNOBZJWSA-N 1 1 317.411 -1.123 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 ZINC001107530369 775866419 /nfs/dbraw/zinc/86/64/19/775866419.db2.gz NTTQQPSRSXQBPY-ZWNOBZJWSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@]1(CNC(=O)CNC(N)=O)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107724273 775869564 /nfs/dbraw/zinc/86/95/64/775869564.db2.gz NOXJNWJXDJSABD-SMDDNHRTSA-N 1 1 314.386 -1.102 20 0 DAADMO COCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728360 775871185 /nfs/dbraw/zinc/87/11/85/775871185.db2.gz YZHJCGAOGPHXNN-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@]1(CNC(=O)Cn2cnnn2)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107728342 775871404 /nfs/dbraw/zinc/87/14/04/775871404.db2.gz YWJYOIODSOEVLS-OCCSQVGLSA-N 1 1 324.385 -1.083 20 0 DAADMO CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728112 775871483 /nfs/dbraw/zinc/87/14/83/775871483.db2.gz RVGISXSCWNUPRN-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728112 775871488 /nfs/dbraw/zinc/87/14/88/775871488.db2.gz RVGISXSCWNUPRN-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728113 775872141 /nfs/dbraw/zinc/87/21/41/775872141.db2.gz RVGISXSCWNUPRN-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728113 775872151 /nfs/dbraw/zinc/87/21/51/775872151.db2.gz RVGISXSCWNUPRN-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107726406 775872458 /nfs/dbraw/zinc/87/24/58/775872458.db2.gz NHKGRMPBZPJXSV-ZDUSSCGKSA-N 1 1 302.375 -1.102 20 0 DAADMO CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107726406 775872461 /nfs/dbraw/zinc/87/24/61/775872461.db2.gz NHKGRMPBZPJXSV-ZDUSSCGKSA-N 1 1 302.375 -1.102 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nncn1C ZINC001127859976 775876082 /nfs/dbraw/zinc/87/60/82/775876082.db2.gz MZTBOTFOUCCAJX-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nccn1C ZINC001127858412 775876665 /nfs/dbraw/zinc/87/66/65/775876665.db2.gz DINQOSUTYMMNCH-SNVBAGLBSA-N 1 1 317.415 -1.046 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127858870 775876831 /nfs/dbraw/zinc/87/68/31/775876831.db2.gz HDBKYSJSYDUBPH-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001107839524 775879879 /nfs/dbraw/zinc/87/98/79/775879879.db2.gz OYJVFJVAXKQIGF-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001107839524 775879884 /nfs/dbraw/zinc/87/98/84/775879884.db2.gz OYJVFJVAXKQIGF-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887088 775883481 /nfs/dbraw/zinc/88/34/81/775883481.db2.gz RZZSUEVDJWVJFJ-GXFFZTMASA-N 1 1 313.358 -1.428 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887088 775883484 /nfs/dbraw/zinc/88/34/84/775883484.db2.gz RZZSUEVDJWVJFJ-GXFFZTMASA-N 1 1 313.358 -1.428 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886204 775883680 /nfs/dbraw/zinc/88/36/80/775883680.db2.gz CHRVCLMTFUMXQZ-ZDUSSCGKSA-N 1 1 313.358 -1.163 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886204 775883686 /nfs/dbraw/zinc/88/36/86/775883686.db2.gz CHRVCLMTFUMXQZ-ZDUSSCGKSA-N 1 1 313.358 -1.163 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098836394 775884115 /nfs/dbraw/zinc/88/41/15/775884115.db2.gz CUILREPCYDDANJ-NRUUGDAUSA-N 1 1 307.358 -1.482 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2COC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001107912667 775884876 /nfs/dbraw/zinc/88/48/76/775884876.db2.gz KFAXKYZLANSPGG-ZWNOBZJWSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2COC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001107912667 775884881 /nfs/dbraw/zinc/88/48/81/775884881.db2.gz KFAXKYZLANSPGG-ZWNOBZJWSA-N 1 1 301.343 -1.316 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001107913389 775884981 /nfs/dbraw/zinc/88/49/81/775884981.db2.gz ZXAQTLLYWYIQJI-GXFFZTMASA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001107913389 775884992 /nfs/dbraw/zinc/88/49/92/775884992.db2.gz ZXAQTLLYWYIQJI-GXFFZTMASA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001107894894 775885322 /nfs/dbraw/zinc/88/53/22/775885322.db2.gz BYGKJZQGUOVGDK-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001107894894 775885332 /nfs/dbraw/zinc/88/53/32/775885332.db2.gz BYGKJZQGUOVGDK-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107920412 775886865 /nfs/dbraw/zinc/88/68/65/775886865.db2.gz SLFYIHGZYVHOIE-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107920412 775886869 /nfs/dbraw/zinc/88/68/69/775886869.db2.gz SLFYIHGZYVHOIE-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO C[C@]1(CNC(=O)CO[C@@H]2CCOC2)C[N@H+](CCO)CCO1 ZINC001107943097 775889063 /nfs/dbraw/zinc/88/90/63/775889063.db2.gz ZZQQFSYRTFWNNR-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@]1(CNC(=O)CO[C@@H]2CCOC2)C[N@@H+](CCO)CCO1 ZINC001107943097 775889068 /nfs/dbraw/zinc/88/90/68/775889068.db2.gz ZZQQFSYRTFWNNR-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001299267649 775889080 /nfs/dbraw/zinc/88/90/80/775889080.db2.gz XKMYABNAORKCCO-NSHDSACASA-N 1 1 310.358 -1.396 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001299267649 775889086 /nfs/dbraw/zinc/88/90/86/775889086.db2.gz XKMYABNAORKCCO-NSHDSACASA-N 1 1 310.358 -1.396 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947434 775890044 /nfs/dbraw/zinc/89/00/44/775890044.db2.gz JSMMOQDFAKLVDM-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947434 775890047 /nfs/dbraw/zinc/89/00/47/775890047.db2.gz JSMMOQDFAKLVDM-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@]1(CNC(=O)Cn2ncnn2)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107948836 775890170 /nfs/dbraw/zinc/89/01/70/775890170.db2.gz YUQXSZFMTFYCMZ-OCCSQVGLSA-N 1 1 324.385 -1.083 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946212 775890340 /nfs/dbraw/zinc/89/03/40/775890340.db2.gz RIPCNEMFGPMVHR-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946212 775890347 /nfs/dbraw/zinc/89/03/47/775890347.db2.gz RIPCNEMFGPMVHR-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952725 775891336 /nfs/dbraw/zinc/89/13/36/775891336.db2.gz KGXPUQAFYOPRHI-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952725 775891345 /nfs/dbraw/zinc/89/13/45/775891345.db2.gz KGXPUQAFYOPRHI-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127983851 775893876 /nfs/dbraw/zinc/89/38/76/775893876.db2.gz CJOLFLWIWHKGJF-SECBINFHSA-N 1 1 310.358 -1.944 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001212361529 775895331 /nfs/dbraw/zinc/89/53/31/775895331.db2.gz SNSYAXCOXRPGSC-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1OC ZINC001212373370 775896546 /nfs/dbraw/zinc/89/65/46/775896546.db2.gz JJPHONMTATWJSE-GMTAPVOTSA-N 1 1 302.375 -1.234 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001127986018 775896590 /nfs/dbraw/zinc/89/65/90/775896590.db2.gz SWCMTSYJVVQULN-SNVBAGLBSA-N 1 1 324.385 -1.071 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1OC ZINC001212375779 775896710 /nfs/dbraw/zinc/89/67/10/775896710.db2.gz OAPLEFGRNFBXHT-IJLUTSLNSA-N 1 1 314.386 -1.233 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212365758 775896992 /nfs/dbraw/zinc/89/69/92/775896992.db2.gz JWQXBNUHEQFPIT-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)o1 ZINC001168606909 775901092 /nfs/dbraw/zinc/90/10/92/775901092.db2.gz OEISRMYXJVBGNQ-UHFFFAOYSA-N 1 1 310.314 -1.474 20 0 DAADMO C[C@@]1(CNC(=O)CCNS(C)(=O)=O)C[N@H+](CCO)CCO1 ZINC001107980233 775902204 /nfs/dbraw/zinc/90/22/04/775902204.db2.gz QNSDTLSIADEFFT-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@@]1(CNC(=O)CCNS(C)(=O)=O)C[N@@H+](CCO)CCO1 ZINC001107980233 775902208 /nfs/dbraw/zinc/90/22/08/775902208.db2.gz QNSDTLSIADEFFT-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001292586296 775902371 /nfs/dbraw/zinc/90/23/71/775902371.db2.gz JLIYJWMBNKBMPY-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@H+](CCOC)CCO1 ZINC001107982297 775903112 /nfs/dbraw/zinc/90/31/12/775903112.db2.gz TWBIMUBJHVMDEW-CYBMUJFWSA-N 1 1 302.375 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](CCOC)CCO1 ZINC001107982297 775903126 /nfs/dbraw/zinc/90/31/26/775903126.db2.gz TWBIMUBJHVMDEW-CYBMUJFWSA-N 1 1 302.375 -1.231 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608084 775903241 /nfs/dbraw/zinc/90/32/41/775903241.db2.gz WAYHCOCLMZBDKG-QWRGUYRKSA-N 1 1 323.340 -1.044 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607316 775903449 /nfs/dbraw/zinc/90/34/49/775903449.db2.gz KYZDGVLZKLFNJM-QWRGUYRKSA-N 1 1 305.400 -1.503 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607316 775903454 /nfs/dbraw/zinc/90/34/54/775903454.db2.gz KYZDGVLZKLFNJM-QWRGUYRKSA-N 1 1 305.400 -1.503 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107982189 775904171 /nfs/dbraw/zinc/90/41/71/775904171.db2.gz QSTVXXWABBLHDV-ZWNOBZJWSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107982189 775904181 /nfs/dbraw/zinc/90/41/81/775904181.db2.gz QSTVXXWABBLHDV-ZWNOBZJWSA-N 1 1 302.375 -1.497 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128033109 775904503 /nfs/dbraw/zinc/90/45/03/775904503.db2.gz QJFPNEVIOHKEIY-UWVGGRQHSA-N 1 1 324.385 -1.291 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099613214 775905090 /nfs/dbraw/zinc/90/50/90/775905090.db2.gz GBNFDJBTDOLLGC-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089939721 775907765 /nfs/dbraw/zinc/90/77/65/775907765.db2.gz XANRYFLUNUSVPH-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO COCC(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CC(N)=O)n2)C1 ZINC001128071058 775908026 /nfs/dbraw/zinc/90/80/26/775908026.db2.gz RQGONRMZGCCLKP-GFCCVEGCSA-N 1 1 321.381 -1.002 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC001077863777 775910639 /nfs/dbraw/zinc/91/06/39/775910639.db2.gz RJUCUHMUDSIPAF-GMTAPVOTSA-N 1 1 321.341 -2.163 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2=O)C[N@H+](CCO)CCO1 ZINC001107996896 775914066 /nfs/dbraw/zinc/91/40/66/775914066.db2.gz LABWBIJOPWGGRQ-AWEZNQCLSA-N 1 1 315.370 -1.955 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2=O)C[N@@H+](CCO)CCO1 ZINC001107996896 775914079 /nfs/dbraw/zinc/91/40/79/775914079.db2.gz LABWBIJOPWGGRQ-AWEZNQCLSA-N 1 1 315.370 -1.955 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004884 775919223 /nfs/dbraw/zinc/91/92/23/775919223.db2.gz GTCYXXOOYLBANN-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004884 775919231 /nfs/dbraw/zinc/91/92/31/775919231.db2.gz GTCYXXOOYLBANN-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)cc1=O ZINC001108005361 775920124 /nfs/dbraw/zinc/92/01/24/775920124.db2.gz QKCOMHXMJLCRQM-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)cc1=O ZINC001108005361 775920135 /nfs/dbraw/zinc/92/01/35/775920135.db2.gz QKCOMHXMJLCRQM-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001114960530 775921888 /nfs/dbraw/zinc/92/18/88/775921888.db2.gz TWBBRDCUWIJTAQ-KIGUWFBYSA-N 1 1 308.382 -1.162 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001114960530 775921897 /nfs/dbraw/zinc/92/18/97/775921897.db2.gz TWBBRDCUWIJTAQ-KIGUWFBYSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)O1 ZINC001108023439 775923478 /nfs/dbraw/zinc/92/34/78/775923478.db2.gz BRPDTTAZTTWXQR-UMVBOHGHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)CNC3=O)C[C@@H](C1)O2 ZINC001272899479 775923770 /nfs/dbraw/zinc/92/37/70/775923770.db2.gz MZWSXPXVBLYXHM-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)CNC3=O)C[C@@H](C1)O2 ZINC001272899479 775923780 /nfs/dbraw/zinc/92/37/80/775923780.db2.gz MZWSXPXVBLYXHM-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099635881 775926850 /nfs/dbraw/zinc/92/68/50/775926850.db2.gz IYKPWPSAOHKRCW-STQMWFEESA-N 1 1 309.370 -1.429 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099635880 775927385 /nfs/dbraw/zinc/92/73/85/775927385.db2.gz IYKPWPSAOHKRCW-QWHCGFSZSA-N 1 1 309.370 -1.429 20 0 DAADMO COCCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001287746353 775929535 /nfs/dbraw/zinc/92/95/35/775929535.db2.gz VDTJAAOSEPAKLH-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040001 775931178 /nfs/dbraw/zinc/93/11/78/775931178.db2.gz IOXPZTPSOZAMSL-RNCFNFMXSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040001 775931189 /nfs/dbraw/zinc/93/11/89/775931189.db2.gz IOXPZTPSOZAMSL-RNCFNFMXSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099644660 775931315 /nfs/dbraw/zinc/93/13/15/775931315.db2.gz JCHDLQPQZQVTBA-STQMWFEESA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCS(C)(=O)=O ZINC001117079233 775932451 /nfs/dbraw/zinc/93/24/51/775932451.db2.gz HFLTZINTNDXFOB-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO O=C(CN1C(=O)Cc2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083812151 775933272 /nfs/dbraw/zinc/93/32/72/775933272.db2.gz NKTGRLYGFXUOLA-OCCSQVGLSA-N 1 1 319.361 -1.271 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cccn3nnnc23)nn1 ZINC001128200009 775935886 /nfs/dbraw/zinc/93/58/86/775935886.db2.gz OGWYANCUJVZFQA-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083813745 775936815 /nfs/dbraw/zinc/93/68/15/775936815.db2.gz ZEMRNFGPHIPHMN-YPMHNXCESA-N 1 1 320.349 -1.105 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083813846 775939714 /nfs/dbraw/zinc/93/97/14/775939714.db2.gz AROHMNMPCQMOHH-NEPJUHHUSA-N 1 1 322.369 -1.861 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001212477157 775940783 /nfs/dbraw/zinc/94/07/83/775940783.db2.gz VKOHMGOMMZYVPP-VXGBXAGGSA-N 1 1 314.386 -1.536 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099647626 775943321 /nfs/dbraw/zinc/94/33/21/775943321.db2.gz HFLSGNJTYCHOJG-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099647626 775943328 /nfs/dbraw/zinc/94/33/28/775943328.db2.gz HFLSGNJTYCHOJG-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099647624 775943451 /nfs/dbraw/zinc/94/34/51/775943451.db2.gz HFLSGNJTYCHOJG-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099647624 775943461 /nfs/dbraw/zinc/94/34/61/775943461.db2.gz HFLSGNJTYCHOJG-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001003037250 775944038 /nfs/dbraw/zinc/94/40/38/775944038.db2.gz WCWCRZQGTJYLRM-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089988240 775944497 /nfs/dbraw/zinc/94/44/97/775944497.db2.gz TYISMEZITUIZJA-NEPJUHHUSA-N 1 1 310.354 -1.845 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089988240 775944511 /nfs/dbraw/zinc/94/45/11/775944511.db2.gz TYISMEZITUIZJA-NEPJUHHUSA-N 1 1 310.354 -1.845 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)C(F)F ZINC001089990635 775944633 /nfs/dbraw/zinc/94/46/33/775944633.db2.gz SEFMXTQONKLOJW-RKDXNWHRSA-N 1 1 306.313 -1.172 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)C(F)F ZINC001089990631 775944771 /nfs/dbraw/zinc/94/47/71/775944771.db2.gz SEFMXTQONKLOJW-DTWKUNHWSA-N 1 1 306.313 -1.172 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)C(F)F ZINC001089990634 775945472 /nfs/dbraw/zinc/94/54/72/775945472.db2.gz SEFMXTQONKLOJW-IUCAKERBSA-N 1 1 306.313 -1.172 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 ZINC001212495502 775945887 /nfs/dbraw/zinc/94/58/87/775945887.db2.gz HWZZZTHPHLKFQY-RKDXNWHRSA-N 1 1 309.313 -1.171 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](OC)C1 ZINC001212495502 775945893 /nfs/dbraw/zinc/94/58/93/775945893.db2.gz HWZZZTHPHLKFQY-RKDXNWHRSA-N 1 1 309.313 -1.171 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001089994521 775946360 /nfs/dbraw/zinc/94/63/60/775946360.db2.gz WEEPVALSJYSKSG-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001089994161 775947988 /nfs/dbraw/zinc/94/79/88/775947988.db2.gz UGDZSFXGOBFQQE-STQMWFEESA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001089994161 775947999 /nfs/dbraw/zinc/94/79/99/775947999.db2.gz UGDZSFXGOBFQQE-STQMWFEESA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC001089994153 775948510 /nfs/dbraw/zinc/94/85/10/775948510.db2.gz UGDZSFXGOBFQQE-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC001089994153 775948518 /nfs/dbraw/zinc/94/85/18/775948518.db2.gz UGDZSFXGOBFQQE-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090031689 775953483 /nfs/dbraw/zinc/95/34/83/775953483.db2.gz OYNHFXGYEIOIIJ-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090031689 775953487 /nfs/dbraw/zinc/95/34/87/775953487.db2.gz OYNHFXGYEIOIIJ-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090049274 775955317 /nfs/dbraw/zinc/95/53/17/775955317.db2.gz JBRZNKXBZHRXJY-KOLCDFICSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090049274 775955324 /nfs/dbraw/zinc/95/53/24/775955324.db2.gz JBRZNKXBZHRXJY-KOLCDFICSA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1)N1CCC1 ZINC001090039685 775955972 /nfs/dbraw/zinc/95/59/72/775955972.db2.gz XGBKVFATADHDRZ-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1)N1CCC1 ZINC001090039685 775955978 /nfs/dbraw/zinc/95/59/78/775955978.db2.gz XGBKVFATADHDRZ-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090049275 775956730 /nfs/dbraw/zinc/95/67/30/775956730.db2.gz JBRZNKXBZHRXJY-MWLCHTKSSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090049275 775956739 /nfs/dbraw/zinc/95/67/39/775956739.db2.gz JBRZNKXBZHRXJY-MWLCHTKSSA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820289 775956781 /nfs/dbraw/zinc/95/67/81/775956781.db2.gz CYEDFNDBLBXAMZ-TUAOUCFPSA-N 1 1 324.381 -1.064 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090047395 775956917 /nfs/dbraw/zinc/95/69/17/775956917.db2.gz SRMMCOVIOFDMHD-QWHCGFSZSA-N 1 1 322.365 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090047395 775956929 /nfs/dbraw/zinc/95/69/29/775956929.db2.gz SRMMCOVIOFDMHD-QWHCGFSZSA-N 1 1 322.365 -1.427 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)o1 ZINC001090055623 775957644 /nfs/dbraw/zinc/95/76/44/775957644.db2.gz WAFAAEUFENLGBB-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)o1 ZINC001090055623 775957650 /nfs/dbraw/zinc/95/76/50/775957650.db2.gz WAFAAEUFENLGBB-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)o1 ZINC001090055626 775958167 /nfs/dbraw/zinc/95/81/67/775958167.db2.gz WAFAAEUFENLGBB-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)o1 ZINC001090055626 775958175 /nfs/dbraw/zinc/95/81/75/775958175.db2.gz WAFAAEUFENLGBB-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090055202 775958884 /nfs/dbraw/zinc/95/88/84/775958884.db2.gz PNEQANHCNXHESP-WDEREUQCSA-N 1 1 321.345 -2.484 20 0 DAADMO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1=O ZINC001083820733 775958964 /nfs/dbraw/zinc/95/89/64/775958964.db2.gz CCYPSGAVIASREC-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056238 775960504 /nfs/dbraw/zinc/96/05/04/775960504.db2.gz FHADJCIGNKILCZ-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056238 775960512 /nfs/dbraw/zinc/96/05/12/775960512.db2.gz FHADJCIGNKILCZ-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090056892 775962006 /nfs/dbraw/zinc/96/20/06/775962006.db2.gz IPTWHWCVFILSCG-WDEREUQCSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090056892 775962011 /nfs/dbraw/zinc/96/20/11/775962011.db2.gz IPTWHWCVFILSCG-WDEREUQCSA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001090059210 775963027 /nfs/dbraw/zinc/96/30/27/775963027.db2.gz FDZXFAZUAFBNEY-QWHCGFSZSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001090058826 775963356 /nfs/dbraw/zinc/96/33/56/775963356.db2.gz VFCCUOWTFJOQFS-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001090058826 775963364 /nfs/dbraw/zinc/96/33/64/775963364.db2.gz VFCCUOWTFJOQFS-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)on1 ZINC001090059555 775963524 /nfs/dbraw/zinc/96/35/24/775963524.db2.gz XKPXNAYWIWMJKU-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)on1 ZINC001090059555 775963535 /nfs/dbraw/zinc/96/35/35/775963535.db2.gz XKPXNAYWIWMJKU-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001099651782 775963553 /nfs/dbraw/zinc/96/35/53/775963553.db2.gz WSMIIQAKOZZNER-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090062481 775965633 /nfs/dbraw/zinc/96/56/33/775965633.db2.gz YWESMQTUIUOSKT-VXGBXAGGSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090062481 775965643 /nfs/dbraw/zinc/96/56/43/775965643.db2.gz YWESMQTUIUOSKT-VXGBXAGGSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090062479 775965767 /nfs/dbraw/zinc/96/57/67/775965767.db2.gz YWESMQTUIUOSKT-NWDGAFQWSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC001090062479 775965774 /nfs/dbraw/zinc/96/57/74/775965774.db2.gz YWESMQTUIUOSKT-NWDGAFQWSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078362 775967168 /nfs/dbraw/zinc/96/71/68/775967168.db2.gz GRSJATXCLAMLGR-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078362 775967175 /nfs/dbraw/zinc/96/71/75/775967175.db2.gz GRSJATXCLAMLGR-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090080655 775967605 /nfs/dbraw/zinc/96/76/05/775967605.db2.gz XDDFGUGYBJXDJI-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083826085 775968898 /nfs/dbraw/zinc/96/88/98/775968898.db2.gz YWZNIJCXICEFQR-MNOVXSKESA-N 1 1 309.370 -1.347 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090086256 775969294 /nfs/dbraw/zinc/96/92/94/775969294.db2.gz DKCVKSQFPUZYQL-WDEREUQCSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090086255 775969586 /nfs/dbraw/zinc/96/95/86/775969586.db2.gz DKCVKSQFPUZYQL-QWRGUYRKSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083828157 775970588 /nfs/dbraw/zinc/97/05/88/775970588.db2.gz DIDHPAGLSWBIPZ-MNOVXSKESA-N 1 1 310.354 -1.733 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161893788 775971508 /nfs/dbraw/zinc/97/15/08/775971508.db2.gz PJELYGNQHOYAOB-UHFFFAOYSA-N 1 1 305.400 -1.334 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083829443 775971556 /nfs/dbraw/zinc/97/15/56/775971556.db2.gz OWBMGIIMQRWNDX-BDAKNGLRSA-N 1 1 312.326 -2.022 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc3nnnn3c2)C[N@H+](CCO)CCO1 ZINC001108069266 775973418 /nfs/dbraw/zinc/97/34/18/775973418.db2.gz BOKQMJXKXWHHOC-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc3nnnn3c2)C[N@@H+](CCO)CCO1 ZINC001108069266 775973429 /nfs/dbraw/zinc/97/34/29/775973429.db2.gz BOKQMJXKXWHHOC-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccn[nH]1 ZINC001090101133 775973758 /nfs/dbraw/zinc/97/37/58/775973758.db2.gz VRHYLRLGUCNMHJ-ZYHUDNBSSA-N 1 1 305.342 -1.134 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001083829749 775974157 /nfs/dbraw/zinc/97/41/57/775974157.db2.gz DXLVDSLEHYHAPX-ZJUUUORDSA-N 1 1 324.337 -2.022 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC001090103481 775975479 /nfs/dbraw/zinc/97/54/79/775975479.db2.gz JTWJFRHUCQOZLJ-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC001090103481 775975486 /nfs/dbraw/zinc/97/54/86/775975486.db2.gz JTWJFRHUCQOZLJ-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001083839385 775976156 /nfs/dbraw/zinc/97/61/56/775976156.db2.gz WERIQGKTGGBXDT-AGIUHOORSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001083839385 775976163 /nfs/dbraw/zinc/97/61/63/775976163.db2.gz WERIQGKTGGBXDT-AGIUHOORSA-N 1 1 311.382 -1.459 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273070137 775978270 /nfs/dbraw/zinc/97/82/70/775978270.db2.gz SINKLHWQZYWGTE-LBPRGKRZSA-N 1 1 310.398 -1.715 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001090107992 775981609 /nfs/dbraw/zinc/98/16/09/775981609.db2.gz LQXKIDJIMANJTJ-RYUDHWBXSA-N 1 1 322.369 -1.400 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168739748 775981640 /nfs/dbraw/zinc/98/16/40/775981640.db2.gz UTIJICHMLIJZEL-SNVBAGLBSA-N 1 1 301.347 -1.462 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168739748 775981641 /nfs/dbraw/zinc/98/16/41/775981641.db2.gz UTIJICHMLIJZEL-SNVBAGLBSA-N 1 1 301.347 -1.462 20 0 DAADMO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ncn[nH]1 ZINC001168739487 775981650 /nfs/dbraw/zinc/98/16/50/775981650.db2.gz QCVWCKNCXCLTQO-VIFPVBQESA-N 1 1 324.341 -1.976 20 0 DAADMO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1nc[nH]n1 ZINC001168739487 775981653 /nfs/dbraw/zinc/98/16/53/775981653.db2.gz QCVWCKNCXCLTQO-VIFPVBQESA-N 1 1 324.341 -1.976 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083743 775982910 /nfs/dbraw/zinc/98/29/10/775982910.db2.gz DIXCTNOSLGZRAB-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083743 775982917 /nfs/dbraw/zinc/98/29/17/775982917.db2.gz DIXCTNOSLGZRAB-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC001090111810 775984019 /nfs/dbraw/zinc/98/40/19/775984019.db2.gz ODJHJRVJYKIFQW-NWDGAFQWSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC001090111810 775984028 /nfs/dbraw/zinc/98/40/28/775984028.db2.gz ODJHJRVJYKIFQW-NWDGAFQWSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC001090111814 775984143 /nfs/dbraw/zinc/98/41/43/775984143.db2.gz ODJHJRVJYKIFQW-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC001090111814 775984148 /nfs/dbraw/zinc/98/41/48/775984148.db2.gz ODJHJRVJYKIFQW-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850891 775987257 /nfs/dbraw/zinc/98/72/57/775987257.db2.gz AKYYCPKJXVHPCX-NEPJUHHUSA-N 1 1 324.385 -1.252 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129240 775988882 /nfs/dbraw/zinc/98/88/82/775988882.db2.gz LEZLZPHFPAPMGY-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129240 775988889 /nfs/dbraw/zinc/98/88/89/775988889.db2.gz LEZLZPHFPAPMGY-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO COC(=O)C(C(=O)OC)c1cncc(-n2cnc(C[NH3+])n2)n1 ZINC001168751068 775989580 /nfs/dbraw/zinc/98/95/80/775989580.db2.gz WZOACNOKBDBAHZ-UHFFFAOYSA-N 1 1 306.282 -1.054 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083852886 775990237 /nfs/dbraw/zinc/99/02/37/775990237.db2.gz QTAKTZZAOYUVTA-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083852886 775990244 /nfs/dbraw/zinc/99/02/44/775990244.db2.gz QTAKTZZAOYUVTA-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853500 775990339 /nfs/dbraw/zinc/99/03/39/775990339.db2.gz ZGSBGVOLGHYSKC-GRYCIOLGSA-N 1 1 319.427 -1.162 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)n1 ZINC001128600625 775992902 /nfs/dbraw/zinc/99/29/02/775992902.db2.gz CGNHQWFSIGRKQW-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001128594356 775993518 /nfs/dbraw/zinc/99/35/18/775993518.db2.gz DFBKLNSMBYEGPO-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001128595216 775994565 /nfs/dbraw/zinc/99/45/65/775994565.db2.gz VATRAZXGWNEHSK-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001128595119 775994827 /nfs/dbraw/zinc/99/48/27/775994827.db2.gz SFFYPNJCEAFPEN-UHFFFAOYSA-N 1 1 321.428 -1.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001128594977 775994969 /nfs/dbraw/zinc/99/49/69/775994969.db2.gz OFZGDTUKDLLXDA-VIFPVBQESA-N 1 1 318.403 -1.479 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001128594782 775995898 /nfs/dbraw/zinc/99/58/98/775995898.db2.gz MXUVSLMCZPMBPW-UHFFFAOYSA-N 1 1 317.415 -1.126 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1ncnn1C)S(C)(=O)=O ZINC001128604415 775996552 /nfs/dbraw/zinc/99/65/52/775996552.db2.gz YSSUOFKFRVPLGS-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)nn1C ZINC001128603407 775996949 /nfs/dbraw/zinc/99/69/49/775996949.db2.gz HNHHLYZSFRMPOG-UHFFFAOYSA-N 1 1 317.415 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001090136336 775998518 /nfs/dbraw/zinc/99/85/18/775998518.db2.gz DTPCULUGLIUGHP-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001090136336 775998524 /nfs/dbraw/zinc/99/85/24/775998524.db2.gz DTPCULUGLIUGHP-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090136979 775999223 /nfs/dbraw/zinc/99/92/23/775999223.db2.gz KCQDSFITRLMAHH-NXEZZACHSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090136979 775999232 /nfs/dbraw/zinc/99/92/32/775999232.db2.gz KCQDSFITRLMAHH-NXEZZACHSA-N 1 1 322.369 -1.688 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001128633126 776002718 /nfs/dbraw/zinc/00/27/18/776002718.db2.gz MMLVWQCYVGYUQH-NXEZZACHSA-N 1 1 309.374 -1.422 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CC1=O ZINC001128665050 776005495 /nfs/dbraw/zinc/00/54/95/776005495.db2.gz HCXIFANQEQDRJF-JTQLQIEISA-N 1 1 322.369 -1.508 20 0 DAADMO CCN1C[C@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CC1=O ZINC001128649708 776005929 /nfs/dbraw/zinc/00/59/29/776005929.db2.gz GGPOTRIEZRVJQL-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083854195 776007188 /nfs/dbraw/zinc/00/71/88/776007188.db2.gz HFLLYSFOTFYLLQ-MCIONIFRSA-N 1 1 313.398 -1.069 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@@H](O)C1 ZINC001083854776 776008746 /nfs/dbraw/zinc/00/87/46/776008746.db2.gz IYBHVTJZRUUKPD-HDCINBLHSA-N 1 1 310.354 -1.454 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@@H](O)C1 ZINC001083855086 776010946 /nfs/dbraw/zinc/01/09/46/776010946.db2.gz UVGVDVUDBOLCRH-WWALYXLFSA-N 1 1 324.381 -1.208 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cocn1 ZINC001090141459 776011270 /nfs/dbraw/zinc/01/12/70/776011270.db2.gz MVIYPJMKSURTDP-PWSUYJOCSA-N 1 1 323.353 -1.135 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1nncn1C)N1C(=O)CCC1=O ZINC001128728615 776013577 /nfs/dbraw/zinc/01/35/77/776013577.db2.gz SVKDLDLJFOLDRC-VIFPVBQESA-N 1 1 308.342 -1.442 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](O)C1 ZINC001083857064 776015058 /nfs/dbraw/zinc/01/50/58/776015058.db2.gz CCSKZDKGSDLMAH-GDPRMGEGSA-N 1 1 321.337 -1.409 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](O)C1 ZINC001083857353 776015855 /nfs/dbraw/zinc/01/58/55/776015855.db2.gz RIMMERJZJIRWEP-MNOVXSKESA-N 1 1 321.337 -1.144 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763610 776017973 /nfs/dbraw/zinc/01/79/73/776017973.db2.gz DDROYDJCUDHGFW-UHFFFAOYSA-N 1 1 320.353 -1.814 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099671502 776019400 /nfs/dbraw/zinc/01/94/00/776019400.db2.gz JJVSKBRBNPUUEX-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099671502 776019405 /nfs/dbraw/zinc/01/94/05/776019405.db2.gz JJVSKBRBNPUUEX-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858757 776019640 /nfs/dbraw/zinc/01/96/40/776019640.db2.gz RHBZFWWUAHTJNI-GDPRMGEGSA-N 1 1 313.354 -1.765 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090153965 776020072 /nfs/dbraw/zinc/02/00/72/776020072.db2.gz CAVIALLNVMCVRJ-QWHCGFSZSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090153965 776020082 /nfs/dbraw/zinc/02/00/82/776020082.db2.gz CAVIALLNVMCVRJ-QWHCGFSZSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090187963 776027092 /nfs/dbraw/zinc/02/70/92/776027092.db2.gz BQGQGAWKAUABNW-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090187963 776027105 /nfs/dbraw/zinc/02/71/05/776027105.db2.gz BQGQGAWKAUABNW-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001083859733 776028245 /nfs/dbraw/zinc/02/82/45/776028245.db2.gz GXLKYWJHNUTIFR-OLZOCXBDSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001083859733 776028256 /nfs/dbraw/zinc/02/82/56/776028256.db2.gz GXLKYWJHNUTIFR-OLZOCXBDSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC001090187844 776029005 /nfs/dbraw/zinc/02/90/05/776029005.db2.gz BMZBNXUSZIWKMU-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC001090187844 776029009 /nfs/dbraw/zinc/02/90/09/776029009.db2.gz BMZBNXUSZIWKMU-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)NC1=O ZINC001108119161 776029865 /nfs/dbraw/zinc/02/98/65/776029865.db2.gz JKPSQFPGAIKHJY-ZWNOBZJWSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)NC1=O ZINC001108119161 776029870 /nfs/dbraw/zinc/02/98/70/776029870.db2.gz JKPSQFPGAIKHJY-ZWNOBZJWSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)NC1=O ZINC001108119159 776029884 /nfs/dbraw/zinc/02/98/84/776029884.db2.gz JKPSQFPGAIKHJY-GXFFZTMASA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)NC1=O ZINC001108119159 776029888 /nfs/dbraw/zinc/02/98/88/776029888.db2.gz JKPSQFPGAIKHJY-GXFFZTMASA-N 1 1 300.359 -1.791 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090203827 776034652 /nfs/dbraw/zinc/03/46/52/776034652.db2.gz JZNPOMGIHRGHON-QWHCGFSZSA-N 1 1 301.387 -1.748 20 0 DAADMO COC(=O)c1cnc(-n2cnc(C[NH3+])n2)c(S(N)(=O)=O)c1 ZINC001168754482 776036497 /nfs/dbraw/zinc/03/64/97/776036497.db2.gz SUPRLMAYRDHHKF-UHFFFAOYSA-N 1 1 312.311 -1.445 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128939457 776036965 /nfs/dbraw/zinc/03/69/65/776036965.db2.gz RKNHVNUVLBVLEP-MXWKQRLJSA-N 1 1 310.358 -1.864 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001128938832 776037232 /nfs/dbraw/zinc/03/72/32/776037232.db2.gz AWAILCKNSLXVAL-UTUOFQBUSA-N 1 1 324.385 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC001090215664 776039523 /nfs/dbraw/zinc/03/95/23/776039523.db2.gz IAVKFYHCJOBUFE-CHWSQXEVSA-N 1 1 317.353 -1.067 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090227338 776040658 /nfs/dbraw/zinc/04/06/58/776040658.db2.gz LBOCXUPZXNGUIP-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090236904 776043939 /nfs/dbraw/zinc/04/39/39/776043939.db2.gz KIGKKURAIWUZAO-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090241562 776045467 /nfs/dbraw/zinc/04/54/67/776045467.db2.gz SYZHLTGMMFXCMB-CMPLNLGQSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090241562 776045473 /nfs/dbraw/zinc/04/54/73/776045473.db2.gz SYZHLTGMMFXCMB-CMPLNLGQSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001090242208 776045561 /nfs/dbraw/zinc/04/55/61/776045561.db2.gz WJFDLJXMXNTKNZ-PWSUYJOCSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242652 776047556 /nfs/dbraw/zinc/04/75/56/776047556.db2.gz ZTBZTFHFCDZYDU-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242652 776047559 /nfs/dbraw/zinc/04/75/59/776047559.db2.gz ZTBZTFHFCDZYDU-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090242517 776047574 /nfs/dbraw/zinc/04/75/74/776047574.db2.gz YTGRIXMUSVCEJZ-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090242517 776047577 /nfs/dbraw/zinc/04/75/77/776047577.db2.gz YTGRIXMUSVCEJZ-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC001090249198 776048833 /nfs/dbraw/zinc/04/88/33/776048833.db2.gz MVSRKSOPYIKKBC-WDEREUQCSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC001090249198 776048837 /nfs/dbraw/zinc/04/88/37/776048837.db2.gz MVSRKSOPYIKKBC-WDEREUQCSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090252423 776050206 /nfs/dbraw/zinc/05/02/06/776050206.db2.gz SXTQJEIJKIEVTF-GHMZBOCLSA-N 1 1 322.369 -1.400 20 0 DAADMO Cn1cc(OCC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)cn1 ZINC001108162551 776050608 /nfs/dbraw/zinc/05/06/08/776050608.db2.gz WGROWHWQOAHKIP-CQSZACIVSA-N 1 1 312.370 -1.002 20 0 DAADMO Cn1cc(OCC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)cn1 ZINC001108162551 776050612 /nfs/dbraw/zinc/05/06/12/776050612.db2.gz WGROWHWQOAHKIP-CQSZACIVSA-N 1 1 312.370 -1.002 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129010019 776050724 /nfs/dbraw/zinc/05/07/24/776050724.db2.gz ZIGSOPFLDRXHIA-UTUOFQBUSA-N 1 1 324.385 -1.209 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153765 776052688 /nfs/dbraw/zinc/05/26/88/776052688.db2.gz FSKCVGWTZFGCRS-TUAOUCFPSA-N 1 1 324.385 -1.223 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153765 776052692 /nfs/dbraw/zinc/05/26/92/776052692.db2.gz FSKCVGWTZFGCRS-TUAOUCFPSA-N 1 1 324.385 -1.223 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)n[nH]1 ZINC001090258800 776052908 /nfs/dbraw/zinc/05/29/08/776052908.db2.gz PRYQYRKUDNWCFE-QWRGUYRKSA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090258800 776052909 /nfs/dbraw/zinc/05/29/09/776052909.db2.gz PRYQYRKUDNWCFE-QWRGUYRKSA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090258800 776052912 /nfs/dbraw/zinc/05/29/12/776052912.db2.gz PRYQYRKUDNWCFE-QWRGUYRKSA-N 1 1 324.385 -1.705 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129210757 776054302 /nfs/dbraw/zinc/05/43/02/776054302.db2.gz WPVRYQHOFKWZFK-ZJUUUORDSA-N 1 1 312.330 -2.886 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129210757 776054305 /nfs/dbraw/zinc/05/43/05/776054305.db2.gz WPVRYQHOFKWZFK-ZJUUUORDSA-N 1 1 312.330 -2.886 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129223431 776054347 /nfs/dbraw/zinc/05/43/47/776054347.db2.gz CHAYDJUZPKXPTM-ZJUUUORDSA-N 1 1 308.342 -2.123 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129223431 776054352 /nfs/dbraw/zinc/05/43/52/776054352.db2.gz CHAYDJUZPKXPTM-ZJUUUORDSA-N 1 1 308.342 -2.123 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)ccc1=O ZINC001083869520 776056751 /nfs/dbraw/zinc/05/67/51/776056751.db2.gz KMHSQBDUEUXNIJ-NEPJUHHUSA-N 1 1 310.354 -1.316 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1[nH]ncc1Br ZINC001083870485 776057571 /nfs/dbraw/zinc/05/75/71/776057571.db2.gz OVTCHBVRQBJXHS-SFYZADRCSA-N 1 1 319.159 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1[nH]ncc1Br ZINC001083870485 776057582 /nfs/dbraw/zinc/05/75/82/776057582.db2.gz OVTCHBVRQBJXHS-SFYZADRCSA-N 1 1 319.159 -1.061 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165450 776057942 /nfs/dbraw/zinc/05/79/42/776057942.db2.gz GKTCEQLDGZVFIC-YGRLFVJLSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165450 776057953 /nfs/dbraw/zinc/05/79/53/776057953.db2.gz GKTCEQLDGZVFIC-YGRLFVJLSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165447 776058480 /nfs/dbraw/zinc/05/84/80/776058480.db2.gz GKTCEQLDGZVFIC-HZMBPMFUSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165447 776058488 /nfs/dbraw/zinc/05/84/88/776058488.db2.gz GKTCEQLDGZVFIC-HZMBPMFUSA-N 1 1 310.354 -1.029 20 0 DAADMO COCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108166869 776058732 /nfs/dbraw/zinc/05/87/32/776058732.db2.gz GEWNFYXGVWPJIP-BXUZGUMPSA-N 1 1 314.386 -1.089 20 0 DAADMO Cc1nc(C)n(CCN2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)n1 ZINC001083873978 776060476 /nfs/dbraw/zinc/06/04/76/776060476.db2.gz YXFLJUIQQXJLKI-MNOVXSKESA-N 1 1 320.357 -1.512 20 0 DAADMO Cc1nc(C)n(CCN2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)n1 ZINC001083873978 776060478 /nfs/dbraw/zinc/06/04/78/776060478.db2.gz YXFLJUIQQXJLKI-MNOVXSKESA-N 1 1 320.357 -1.512 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108167721 776061311 /nfs/dbraw/zinc/06/13/11/776061311.db2.gz PDBJIFRCXTZIKY-GXFFZTMASA-N 1 1 300.359 -1.479 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108167721 776061319 /nfs/dbraw/zinc/06/13/19/776061319.db2.gz PDBJIFRCXTZIKY-GXFFZTMASA-N 1 1 300.359 -1.479 20 0 DAADMO CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108169575 776063562 /nfs/dbraw/zinc/06/35/62/776063562.db2.gz RICAPZOMFWMSEL-SMDDNHRTSA-N 1 1 314.386 -1.089 20 0 DAADMO CCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108169575 776063565 /nfs/dbraw/zinc/06/35/65/776063565.db2.gz RICAPZOMFWMSEL-SMDDNHRTSA-N 1 1 314.386 -1.089 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC001083874322 776063702 /nfs/dbraw/zinc/06/37/02/776063702.db2.gz RJUCUHMUDSIPAF-AXFHLTTASA-N 1 1 321.341 -2.163 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)on1 ZINC001090267380 776063739 /nfs/dbraw/zinc/06/37/39/776063739.db2.gz BEZUBABTMFUYPZ-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)on1 ZINC001090267380 776063742 /nfs/dbraw/zinc/06/37/42/776063742.db2.gz BEZUBABTMFUYPZ-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090268120 776064312 /nfs/dbraw/zinc/06/43/12/776064312.db2.gz GXLZTQWYMFWKJA-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267627 776064539 /nfs/dbraw/zinc/06/45/39/776064539.db2.gz CFLFKHGURKOMPM-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267627 776064544 /nfs/dbraw/zinc/06/45/44/776064544.db2.gz CFLFKHGURKOMPM-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnon1 ZINC001083876484 776064865 /nfs/dbraw/zinc/06/48/65/776064865.db2.gz DWVJHZCOXBVJJE-WCQGTBRESA-N 1 1 323.353 -1.239 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267536 776065250 /nfs/dbraw/zinc/06/52/50/776065250.db2.gz BVMFPOVTOTURCZ-MNOVXSKESA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267536 776065252 /nfs/dbraw/zinc/06/52/52/776065252.db2.gz BVMFPOVTOTURCZ-MNOVXSKESA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267540 776065401 /nfs/dbraw/zinc/06/54/01/776065401.db2.gz BVMFPOVTOTURCZ-WDEREUQCSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267540 776065407 /nfs/dbraw/zinc/06/54/07/776065407.db2.gz BVMFPOVTOTURCZ-WDEREUQCSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001090268736 776066089 /nfs/dbraw/zinc/06/60/89/776066089.db2.gz OIUDZTNHTYHJQO-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001090268767 776066189 /nfs/dbraw/zinc/06/61/89/776066189.db2.gz OVTUTAUUNILJOB-LPVNXEGMSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001090268767 776066194 /nfs/dbraw/zinc/06/61/94/776066194.db2.gz OVTUTAUUNILJOB-LPVNXEGMSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090268733 776066427 /nfs/dbraw/zinc/06/64/27/776066427.db2.gz OHZFKZVBUXFARQ-WDEREUQCSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090268733 776066431 /nfs/dbraw/zinc/06/64/31/776066431.db2.gz OHZFKZVBUXFARQ-WDEREUQCSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090268728 776067254 /nfs/dbraw/zinc/06/72/54/776067254.db2.gz OHZFKZVBUXFARQ-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090268728 776067258 /nfs/dbraw/zinc/06/72/58/776067258.db2.gz OHZFKZVBUXFARQ-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cnon1 ZINC001083877819 776067805 /nfs/dbraw/zinc/06/78/05/776067805.db2.gz PECJDHYSPULIQX-WCQGTBRESA-N 1 1 322.325 -1.898 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cnon1 ZINC001083877819 776067815 /nfs/dbraw/zinc/06/78/15/776067815.db2.gz PECJDHYSPULIQX-WCQGTBRESA-N 1 1 322.325 -1.898 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001090269534 776068136 /nfs/dbraw/zinc/06/81/36/776068136.db2.gz SJPHHTYGXCABNX-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001090269534 776068142 /nfs/dbraw/zinc/06/81/42/776068142.db2.gz SJPHHTYGXCABNX-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090269568 776068830 /nfs/dbraw/zinc/06/88/30/776068830.db2.gz SOXLMPOQFIDFJV-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090269568 776068831 /nfs/dbraw/zinc/06/88/31/776068831.db2.gz SOXLMPOQFIDFJV-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270668 776069930 /nfs/dbraw/zinc/06/99/30/776069930.db2.gz YMESOOYCBJNQLO-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270668 776069938 /nfs/dbraw/zinc/06/99/38/776069938.db2.gz YMESOOYCBJNQLO-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO COCCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108173954 776070382 /nfs/dbraw/zinc/07/03/82/776070382.db2.gz YYZHONDWXJJVRH-ZDUSSCGKSA-N 1 1 303.359 -1.658 20 0 DAADMO COCCOCC[N@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108173954 776070383 /nfs/dbraw/zinc/07/03/83/776070383.db2.gz YYZHONDWXJJVRH-ZDUSSCGKSA-N 1 1 303.359 -1.658 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274466 776072778 /nfs/dbraw/zinc/07/27/78/776072778.db2.gz HNRMVZDJSNRKDS-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274468 776073102 /nfs/dbraw/zinc/07/31/02/776073102.db2.gz HNRMVZDJSNRKDS-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274467 776073128 /nfs/dbraw/zinc/07/31/28/776073128.db2.gz HNRMVZDJSNRKDS-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274540 776073775 /nfs/dbraw/zinc/07/37/75/776073775.db2.gz INUIDZYPVUPFCQ-ZJUUUORDSA-N 1 1 310.358 -1.663 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099689688 776074976 /nfs/dbraw/zinc/07/49/76/776074976.db2.gz HQENYUJRJOBVCO-STQMWFEESA-N 1 1 317.386 -1.975 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090277564 776076222 /nfs/dbraw/zinc/07/62/22/776076222.db2.gz VZXGLYVZVFMHSO-IUCAKERBSA-N 1 1 312.330 -3.079 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277788 776076279 /nfs/dbraw/zinc/07/62/79/776076279.db2.gz YGSCUGMQLCAMIF-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099690424 776076315 /nfs/dbraw/zinc/07/63/15/776076315.db2.gz OPBCWHNCVPQGKJ-KGLIPLIRSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090279306 776076616 /nfs/dbraw/zinc/07/66/16/776076616.db2.gz KJQFILBPPZXTFP-UWVGGRQHSA-N 1 1 312.374 -1.415 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)n1 ZINC001090277756 776076885 /nfs/dbraw/zinc/07/68/85/776076885.db2.gz YBOGFWGXYXIENM-MNOVXSKESA-N 1 1 322.369 -1.662 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099690379 776077045 /nfs/dbraw/zinc/07/70/45/776077045.db2.gz OCKKYZBCAWQIQR-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099690379 776077049 /nfs/dbraw/zinc/07/70/49/776077049.db2.gz OCKKYZBCAWQIQR-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277785 776077071 /nfs/dbraw/zinc/07/70/71/776077071.db2.gz YGSCUGMQLCAMIF-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099690382 776077409 /nfs/dbraw/zinc/07/74/09/776077409.db2.gz OCKKYZBCAWQIQR-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099690382 776077416 /nfs/dbraw/zinc/07/74/16/776077416.db2.gz OCKKYZBCAWQIQR-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001090284713 776078043 /nfs/dbraw/zinc/07/80/43/776078043.db2.gz XIWCUAUXSDIHSK-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707470 776079119 /nfs/dbraw/zinc/07/91/19/776079119.db2.gz YFXKCGCNBFZZRB-SNVBAGLBSA-N 1 1 301.347 -1.462 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129291305 776080599 /nfs/dbraw/zinc/08/05/99/776080599.db2.gz SZGPPMLCKDJFRJ-JTQLQIEISA-N 1 1 309.374 -1.014 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001129298549 776081971 /nfs/dbraw/zinc/08/19/71/776081971.db2.gz WDJVXSXGPOTNPP-SNVBAGLBSA-N 1 1 322.369 -1.460 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CCNC1=O ZINC001129305917 776084057 /nfs/dbraw/zinc/08/40/57/776084057.db2.gz YUKNUFBJBVLWNB-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895446 776086377 /nfs/dbraw/zinc/08/63/77/776086377.db2.gz XCBGMGAHFYINTG-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccn2nnnc12 ZINC001090294763 776088192 /nfs/dbraw/zinc/08/81/92/776088192.db2.gz GTRZIYXZEGZYER-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cccn2nnnc12 ZINC001090294762 776089037 /nfs/dbraw/zinc/08/90/37/776089037.db2.gz GTRZIYXZEGZYER-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090297428 776090296 /nfs/dbraw/zinc/09/02/96/776090296.db2.gz JCDAJOVWZDCMLM-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296616 776090431 /nfs/dbraw/zinc/09/04/31/776090431.db2.gz BOYNSZRRVXBGES-QWRGUYRKSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296616 776090434 /nfs/dbraw/zinc/09/04/34/776090434.db2.gz BOYNSZRRVXBGES-QWRGUYRKSA-N 1 1 310.358 -2.082 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090307392 776092629 /nfs/dbraw/zinc/09/26/29/776092629.db2.gz AENBWDMBXFLBQT-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298533 776092888 /nfs/dbraw/zinc/09/28/88/776092888.db2.gz QGHVZVJMXOFPIZ-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298533 776092893 /nfs/dbraw/zinc/09/28/93/776092893.db2.gz QGHVZVJMXOFPIZ-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298954 776092996 /nfs/dbraw/zinc/09/29/96/776092996.db2.gz UJMRGARQNCYVEH-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298954 776093006 /nfs/dbraw/zinc/09/30/06/776093006.db2.gz UJMRGARQNCYVEH-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090307390 776093846 /nfs/dbraw/zinc/09/38/46/776093846.db2.gz AENBWDMBXFLBQT-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090311415 776094467 /nfs/dbraw/zinc/09/44/67/776094467.db2.gz SRMUUADLFARRKV-GHMZBOCLSA-N 1 1 310.354 -1.882 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090310903 776095378 /nfs/dbraw/zinc/09/53/78/776095378.db2.gz OCGMGHQJDZOHCJ-VXGBXAGGSA-N 1 1 324.381 -1.493 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090310952 776095739 /nfs/dbraw/zinc/09/57/39/776095739.db2.gz OPQLIQDWYOCRNS-RYUDHWBXSA-N 1 1 310.354 -1.049 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001090312795 776095851 /nfs/dbraw/zinc/09/58/51/776095851.db2.gz LPAYVWGVYAPTDM-JOYOIKCWSA-N 1 1 320.353 -1.100 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090319768 776096698 /nfs/dbraw/zinc/09/66/98/776096698.db2.gz SHEICSMABDAJRN-WCQYABFASA-N 1 1 309.370 -1.301 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2ccncc12 ZINC001090325414 776096823 /nfs/dbraw/zinc/09/68/23/776096823.db2.gz BMDQXLVTSHBDQN-AAEUAGOBSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090319771 776097309 /nfs/dbraw/zinc/09/73/09/776097309.db2.gz SHEICSMABDAJRN-YPMHNXCESA-N 1 1 309.370 -1.301 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001090325995 776099049 /nfs/dbraw/zinc/09/90/49/776099049.db2.gz GKYOJAMLSNHHNP-PWSUYJOCSA-N 1 1 310.354 -1.177 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001090335962 776099064 /nfs/dbraw/zinc/09/90/64/776099064.db2.gz DEDVYKIBNLDUQM-JQWIXIFHSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090328048 776099748 /nfs/dbraw/zinc/09/97/48/776099748.db2.gz XLBCITDLXDKDIJ-NWDGAFQWSA-N 1 1 317.361 -1.244 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327424 776100348 /nfs/dbraw/zinc/10/03/48/776100348.db2.gz RJZQUEUDQDUAHR-GXSJLCMTSA-N 1 1 306.326 -1.490 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001090335964 776100555 /nfs/dbraw/zinc/10/05/55/776100555.db2.gz DEDVYKIBNLDUQM-PWSUYJOCSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327531 776100593 /nfs/dbraw/zinc/10/05/93/776100593.db2.gz SCORIYXREKJKSR-JQWIXIFHSA-N 1 1 320.353 -1.100 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001090337519 776102519 /nfs/dbraw/zinc/10/25/19/776102519.db2.gz RYGBBLSAGPZQMB-CMPLNLGQSA-N 1 1 310.354 -1.408 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC001090338085 776102861 /nfs/dbraw/zinc/10/28/61/776102861.db2.gz XXACEDUSZMZFSB-JQWIXIFHSA-N 1 1 310.354 -1.429 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)cn1C ZINC001090343214 776103047 /nfs/dbraw/zinc/10/30/47/776103047.db2.gz YASMBZQKLJGZSX-JSGCOSHPSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1C ZINC001090343214 776103050 /nfs/dbraw/zinc/10/30/50/776103050.db2.gz YASMBZQKLJGZSX-JSGCOSHPSA-N 1 1 309.366 -1.149 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](O)C1 ZINC001083927689 776104364 /nfs/dbraw/zinc/10/43/64/776104364.db2.gz WZTUEODVGYPCIR-NEPJUHHUSA-N 1 1 323.397 -1.049 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC001090350631 776104643 /nfs/dbraw/zinc/10/46/43/776104643.db2.gz XGODCIXNCMWXPJ-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO COCCn1nccc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090349650 776105179 /nfs/dbraw/zinc/10/51/79/776105179.db2.gz OTCPSCWKQYZVDD-WCQYABFASA-N 1 1 312.370 -1.313 20 0 DAADMO COCc1nc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cs1 ZINC001083932063 776106150 /nfs/dbraw/zinc/10/61/50/776106150.db2.gz NVDXRWPISMODEG-MNOVXSKESA-N 1 1 315.395 -1.014 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090360121 776106252 /nfs/dbraw/zinc/10/62/52/776106252.db2.gz JFUYMGYLEVVUBR-DGCLKSJQSA-N 1 1 322.365 -1.733 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001090362217 776107197 /nfs/dbraw/zinc/10/71/97/776107197.db2.gz UUGPBUKIXCVYLI-AAEUAGOBSA-N 1 1 324.381 -1.039 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090365159 776109115 /nfs/dbraw/zinc/10/91/15/776109115.db2.gz NTZIJHGARRKAHV-CHWSQXEVSA-N 1 1 307.350 -1.057 20 0 DAADMO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099702706 776110550 /nfs/dbraw/zinc/11/05/50/776110550.db2.gz YJLJKKYEOAUIQO-UONOGXRCSA-N 1 1 324.381 -1.041 20 0 DAADMO CCCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099718157 776112899 /nfs/dbraw/zinc/11/28/99/776112899.db2.gz IBSUMPOMCOLZME-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090367914 776112923 /nfs/dbraw/zinc/11/29/23/776112923.db2.gz MDOHDUDSORZUFC-STQMWFEESA-N 1 1 312.414 -1.280 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001090368931 776114739 /nfs/dbraw/zinc/11/47/39/776114739.db2.gz TVVLMMILKMNNIK-STQMWFEESA-N 1 1 309.366 -1.067 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090368948 776115063 /nfs/dbraw/zinc/11/50/63/776115063.db2.gz UDCITULCMMQOAH-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CCN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](C)C1 ZINC001118682704 776117049 /nfs/dbraw/zinc/11/70/49/776117049.db2.gz QTMMHSRQYXAZGR-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCOCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099729148 776118530 /nfs/dbraw/zinc/11/85/30/776118530.db2.gz CSRAXYJLGCZQDO-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@H]2O)c1=O ZINC001090372971 776119711 /nfs/dbraw/zinc/11/97/11/776119711.db2.gz CFMCYGIVNCIYIP-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373728 776121652 /nfs/dbraw/zinc/12/16/52/776121652.db2.gz KCOBWCNUTQLINY-NWDGAFQWSA-N 1 1 311.386 -1.211 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099741782 776121814 /nfs/dbraw/zinc/12/18/14/776121814.db2.gz XJDPTEYTEBBARO-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373727 776121929 /nfs/dbraw/zinc/12/19/29/776121929.db2.gz KCOBWCNUTQLINY-NEPJUHHUSA-N 1 1 311.386 -1.211 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083935797 776124227 /nfs/dbraw/zinc/12/42/27/776124227.db2.gz NJOPRCVOECLEQY-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083935797 776124236 /nfs/dbraw/zinc/12/42/36/776124236.db2.gz NJOPRCVOECLEQY-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083935797 776124243 /nfs/dbraw/zinc/12/42/43/776124243.db2.gz NJOPRCVOECLEQY-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001083935976 776124748 /nfs/dbraw/zinc/12/47/48/776124748.db2.gz WRGWLIQWAUWQHO-NEPJUHHUSA-N 1 1 319.369 -1.515 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758093 776125440 /nfs/dbraw/zinc/12/54/40/776125440.db2.gz OAWZGDJHALAHTA-VXGBXAGGSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758093 776125447 /nfs/dbraw/zinc/12/54/47/776125447.db2.gz OAWZGDJHALAHTA-VXGBXAGGSA-N 1 1 309.370 -1.345 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757227 776126068 /nfs/dbraw/zinc/12/60/68/776126068.db2.gz AZJRDRUUXFOFGB-WDEREUQCSA-N 1 1 314.386 -1.720 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757227 776126074 /nfs/dbraw/zinc/12/60/74/776126074.db2.gz AZJRDRUUXFOFGB-WDEREUQCSA-N 1 1 314.386 -1.720 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099757482 776126317 /nfs/dbraw/zinc/12/63/17/776126317.db2.gz GBMZCHJJSMJNAP-RKDXNWHRSA-N 1 1 309.313 -1.305 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099757480 776126678 /nfs/dbraw/zinc/12/66/78/776126678.db2.gz GBMZCHJJSMJNAP-DTWKUNHWSA-N 1 1 309.313 -1.305 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099757479 776126729 /nfs/dbraw/zinc/12/67/29/776126729.db2.gz GBMZCHJJSMJNAP-BDAKNGLRSA-N 1 1 309.313 -1.305 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC001090380887 776127414 /nfs/dbraw/zinc/12/74/14/776127414.db2.gz HFKDPOVKGVCPJC-ZYHUDNBSSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001090380887 776127421 /nfs/dbraw/zinc/12/74/21/776127421.db2.gz HFKDPOVKGVCPJC-ZYHUDNBSSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001090380887 776127429 /nfs/dbraw/zinc/12/74/29/776127429.db2.gz HFKDPOVKGVCPJC-ZYHUDNBSSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC001090380962 776127679 /nfs/dbraw/zinc/12/76/79/776127679.db2.gz HSBIDJFHJGACLK-ONGXEEELSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]n1 ZINC001090380885 776127715 /nfs/dbraw/zinc/12/77/15/776127715.db2.gz HFKDPOVKGVCPJC-PWSUYJOCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001090380885 776127724 /nfs/dbraw/zinc/12/77/24/776127724.db2.gz HFKDPOVKGVCPJC-PWSUYJOCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001090380885 776127733 /nfs/dbraw/zinc/12/77/33/776127733.db2.gz HFKDPOVKGVCPJC-PWSUYJOCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]n1 ZINC001090385021 776130096 /nfs/dbraw/zinc/13/00/96/776130096.db2.gz CIRNMEMVKLBHSZ-GXSJLCMTSA-N 1 1 323.357 -2.005 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090382307 776130472 /nfs/dbraw/zinc/13/04/72/776130472.db2.gz QNDDSSRBXBXEMF-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001090382307 776130475 /nfs/dbraw/zinc/13/04/75/776130475.db2.gz QNDDSSRBXBXEMF-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001090382307 776130478 /nfs/dbraw/zinc/13/04/78/776130478.db2.gz QNDDSSRBXBXEMF-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090388043 776131648 /nfs/dbraw/zinc/13/16/48/776131648.db2.gz CBSSTKQKXFHLDT-VXGBXAGGSA-N 1 1 314.386 -1.665 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N(CCO)CCOCCO ZINC001119136964 776131996 /nfs/dbraw/zinc/13/19/96/776131996.db2.gz BBHMZCPECCIFED-ZDUSSCGKSA-N 1 1 318.418 -1.755 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090390574 776133914 /nfs/dbraw/zinc/13/39/14/776133914.db2.gz IGWULNNNYODCFM-WDEREUQCSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090390574 776133918 /nfs/dbraw/zinc/13/39/18/776133918.db2.gz IGWULNNNYODCFM-WDEREUQCSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn2cccnc2n1 ZINC001090393573 776134973 /nfs/dbraw/zinc/13/49/73/776134973.db2.gz MXBBRNPDRTZBCZ-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001099785535 776135034 /nfs/dbraw/zinc/13/50/34/776135034.db2.gz HDPIQTMTPHLNPR-CHWSQXEVSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC001090391088 776135441 /nfs/dbraw/zinc/13/54/41/776135441.db2.gz AQVZNZYRPZQJIU-NWDGAFQWSA-N 1 1 320.349 -1.267 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001099785538 776135611 /nfs/dbraw/zinc/13/56/11/776135611.db2.gz HDPIQTMTPHLNPR-STQMWFEESA-N 1 1 310.354 -1.350 20 0 DAADMO CNC(=O)NC(=O)CN1CC[NH+](CCOCCOC)CC1 ZINC001119310017 776135901 /nfs/dbraw/zinc/13/59/01/776135901.db2.gz CCCMPNPUQAQZIY-UHFFFAOYSA-N 1 1 302.375 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090390657 776136062 /nfs/dbraw/zinc/13/60/62/776136062.db2.gz JAHRQOXSMOQHPF-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099791207 776136955 /nfs/dbraw/zinc/13/69/55/776136955.db2.gz AXTZCKQERQIGEQ-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099791207 776136959 /nfs/dbraw/zinc/13/69/59/776136959.db2.gz AXTZCKQERQIGEQ-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCOC)C[C@H]1O ZINC001099791473 776137507 /nfs/dbraw/zinc/13/75/07/776137507.db2.gz FRHLTZFMNNTQIZ-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCOC)C[C@@H]1O ZINC001099791472 776137583 /nfs/dbraw/zinc/13/75/83/776137583.db2.gz FRHLTZFMNNTQIZ-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)Cn2cnnn2)[N@H+](CC(N)=O)C1 ZINC001098898994 776138192 /nfs/dbraw/zinc/13/81/92/776138192.db2.gz AUVLLIRZBOKYTK-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)Cn2cnnn2)[N@@H+](CC(N)=O)C1 ZINC001098898994 776138200 /nfs/dbraw/zinc/13/82/00/776138200.db2.gz AUVLLIRZBOKYTK-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCOC)C[C@H]1O ZINC001099791471 776138273 /nfs/dbraw/zinc/13/82/73/776138273.db2.gz FRHLTZFMNNTQIZ-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(N)=O)[C@@H](O)C1 ZINC001083938333 776139857 /nfs/dbraw/zinc/13/98/57/776139857.db2.gz ANJNDSQBBDQQES-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953198 776140488 /nfs/dbraw/zinc/14/04/88/776140488.db2.gz KSPCTBVNKCZGJM-UTUOFQBUSA-N 1 1 323.401 -1.787 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953425 776141452 /nfs/dbraw/zinc/14/14/52/776141452.db2.gz SCZRJYSAXRBRKY-XQQFMLRXSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083950671 776141645 /nfs/dbraw/zinc/14/16/45/776141645.db2.gz VYMUTVADTYATGL-SFGNSQDASA-N 1 1 322.325 -2.427 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1=O ZINC001083948853 776141990 /nfs/dbraw/zinc/14/19/90/776141990.db2.gz JNLTVWJICCOSCI-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083950985 776142316 /nfs/dbraw/zinc/14/23/16/776142316.db2.gz HVNZRCCWAILTEY-ZJUUUORDSA-N 1 1 306.326 -1.399 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001083950090 776142468 /nfs/dbraw/zinc/14/24/68/776142468.db2.gz YULDGMLAKPTDAY-WQAKAFBOSA-N 1 1 309.370 -1.283 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2n[nH]nc2C1 ZINC001083949798 776142552 /nfs/dbraw/zinc/14/25/52/776142552.db2.gz OAUMGRNYMGIXJC-BIMULSAOSA-N 1 1 309.370 -1.547 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001083950496 776142701 /nfs/dbraw/zinc/14/27/01/776142701.db2.gz MEYVJVWXTGAFEC-ZJUUUORDSA-N 1 1 324.316 -1.448 20 0 DAADMO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083998746 776143754 /nfs/dbraw/zinc/14/37/54/776143754.db2.gz LMXVQBMOJYPCQO-UPJWGTAASA-N 1 1 313.398 -1.021 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001083963118 776145982 /nfs/dbraw/zinc/14/59/82/776145982.db2.gz GKVHMYIEOGLFFD-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001084021623 776147473 /nfs/dbraw/zinc/14/74/73/776147473.db2.gz CYMRNIIOIJLAHM-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001084021623 776147477 /nfs/dbraw/zinc/14/74/77/776147477.db2.gz CYMRNIIOIJLAHM-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084040504 776147990 /nfs/dbraw/zinc/14/79/90/776147990.db2.gz KXJPVEPJMWWYMG-ZJUUUORDSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083970145 776148586 /nfs/dbraw/zinc/14/85/86/776148586.db2.gz GJNIBFUZWJENLC-TUAOUCFPSA-N 1 1 307.354 -1.677 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083970145 776148589 /nfs/dbraw/zinc/14/85/89/776148589.db2.gz GJNIBFUZWJENLC-TUAOUCFPSA-N 1 1 307.354 -1.677 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083970222 776148732 /nfs/dbraw/zinc/14/87/32/776148732.db2.gz JKBSJNZEMAZGEQ-XQQFMLRXSA-N 1 1 311.382 -1.005 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084030525 776149202 /nfs/dbraw/zinc/14/92/02/776149202.db2.gz XFOSWUUYDSHSHJ-WCQGTBRESA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001084032303 776149710 /nfs/dbraw/zinc/14/97/10/776149710.db2.gz GMDDDECNBWZYSE-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 ZINC001084022319 776149869 /nfs/dbraw/zinc/14/98/69/776149869.db2.gz CGJZFBXPRZLPRU-MNOVXSKESA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](O)C1 ZINC001084022319 776149877 /nfs/dbraw/zinc/14/98/77/776149877.db2.gz CGJZFBXPRZLPRU-MNOVXSKESA-N 1 1 320.353 -1.146 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@@H]3O)nn21 ZINC001084022505 776150221 /nfs/dbraw/zinc/15/02/21/776150221.db2.gz KVOJHEDPQYJEFM-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@@H]3O)nn21 ZINC001084022505 776150224 /nfs/dbraw/zinc/15/02/24/776150224.db2.gz KVOJHEDPQYJEFM-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035470 776151727 /nfs/dbraw/zinc/15/17/27/776151727.db2.gz UXTWMYKYQVECOO-YIZRAAEISA-N 1 1 300.315 -2.920 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 ZINC001084034376 776151739 /nfs/dbraw/zinc/15/17/39/776151739.db2.gz DUZGTODNOWNMEY-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035469 776151945 /nfs/dbraw/zinc/15/19/45/776151945.db2.gz UXTWMYKYQVECOO-HLTSFMKQSA-N 1 1 300.315 -2.920 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036043 776153250 /nfs/dbraw/zinc/15/32/50/776153250.db2.gz OAVWPZSQDOJWAX-MNOVXSKESA-N 1 1 310.354 -1.334 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036132 776153411 /nfs/dbraw/zinc/15/34/11/776153411.db2.gz RUSHNVKJHKNKPL-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084038733 776153543 /nfs/dbraw/zinc/15/35/43/776153543.db2.gz YXVVXWIFOMNNMS-BDAKNGLRSA-N 1 1 309.326 -2.003 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084038733 776153551 /nfs/dbraw/zinc/15/35/51/776153551.db2.gz YXVVXWIFOMNNMS-BDAKNGLRSA-N 1 1 309.326 -2.003 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035885 776153610 /nfs/dbraw/zinc/15/36/10/776153610.db2.gz GVZBLFAIFHBKBI-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084036023 776153710 /nfs/dbraw/zinc/15/37/10/776153710.db2.gz NBFBRUAUFWLEHH-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001084005381 776154513 /nfs/dbraw/zinc/15/45/13/776154513.db2.gz WZYADNRFXCMYFQ-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001084008774 776154748 /nfs/dbraw/zinc/15/47/48/776154748.db2.gz WMBFYDCNIFEHBS-WQAKAFBOSA-N 1 1 322.365 -1.403 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012610 776155241 /nfs/dbraw/zinc/15/52/41/776155241.db2.gz WXKCYBFUPOFVFS-MNOVXSKESA-N 1 1 313.358 -2.302 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC001084005336 776155451 /nfs/dbraw/zinc/15/54/51/776155451.db2.gz UBHRSVCMYKQPTG-NEPJUHHUSA-N 1 1 319.321 -1.502 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC001084005336 776155458 /nfs/dbraw/zinc/15/54/58/776155458.db2.gz UBHRSVCMYKQPTG-NEPJUHHUSA-N 1 1 319.321 -1.502 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001084012519 776155751 /nfs/dbraw/zinc/15/57/51/776155751.db2.gz SJMGLIBQELFVJT-WOPDTQHZSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084012519 776155754 /nfs/dbraw/zinc/15/57/54/776155754.db2.gz SJMGLIBQELFVJT-WOPDTQHZSA-N 1 1 301.343 -2.613 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001084077740 776156427 /nfs/dbraw/zinc/15/64/27/776156427.db2.gz ACGHHTGFGDDTGY-OUAUKWLOSA-N 1 1 300.359 -2.646 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001084077740 776156432 /nfs/dbraw/zinc/15/64/32/776156432.db2.gz ACGHHTGFGDDTGY-OUAUKWLOSA-N 1 1 300.359 -2.646 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H](C1CC1)N1CCOCC1 ZINC001084079451 776156767 /nfs/dbraw/zinc/15/67/67/776156767.db2.gz CXYULTSREGWCHR-HZSPNIEDSA-N 1 1 313.398 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H](C1CC1)N1CCOCC1 ZINC001084079451 776156776 /nfs/dbraw/zinc/15/67/76/776156776.db2.gz CXYULTSREGWCHR-HZSPNIEDSA-N 1 1 313.398 -1.749 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 ZINC001084077329 776157461 /nfs/dbraw/zinc/15/74/61/776157461.db2.gz PAUMVPWDNWBSLL-GDPRMGEGSA-N 1 1 311.338 -1.097 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 ZINC001084077329 776157467 /nfs/dbraw/zinc/15/74/67/776157467.db2.gz PAUMVPWDNWBSLL-GDPRMGEGSA-N 1 1 311.338 -1.097 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)ccc1=O ZINC001084043876 776157548 /nfs/dbraw/zinc/15/75/48/776157548.db2.gz LTSHTSLFKRXPPG-NEPJUHHUSA-N 1 1 310.354 -1.580 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001084043876 776157554 /nfs/dbraw/zinc/15/75/54/776157554.db2.gz LTSHTSLFKRXPPG-NEPJUHHUSA-N 1 1 310.354 -1.580 20 0 DAADMO NC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC001084043232 776157691 /nfs/dbraw/zinc/15/76/91/776157691.db2.gz KHLVZDUIBQHLLQ-NEPJUHHUSA-N 1 1 308.338 -1.056 20 0 DAADMO NC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001084043232 776157693 /nfs/dbraw/zinc/15/76/93/776157693.db2.gz KHLVZDUIBQHLLQ-NEPJUHHUSA-N 1 1 308.338 -1.056 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052716 776158856 /nfs/dbraw/zinc/15/88/56/776158856.db2.gz FGUOUNBPSQKBKJ-TUAOUCFPSA-N 1 1 308.386 -1.572 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001084053140 776158906 /nfs/dbraw/zinc/15/89/06/776158906.db2.gz UHYCGZRUFHJLOJ-UHTWSYAYSA-N 1 1 310.398 -1.622 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001084053139 776159065 /nfs/dbraw/zinc/15/90/65/776159065.db2.gz UHYCGZRUFHJLOJ-RTXFEEFZSA-N 1 1 310.398 -1.622 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001084049082 776159170 /nfs/dbraw/zinc/15/91/70/776159170.db2.gz WWIFMQYGGSWGDR-MXWKQRLJSA-N 1 1 315.395 -1.240 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084053095 776159193 /nfs/dbraw/zinc/15/91/93/776159193.db2.gz RYUNKQYIWXKERL-RTXFEEFZSA-N 1 1 308.386 -1.572 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 ZINC001084048283 776159345 /nfs/dbraw/zinc/15/93/45/776159345.db2.gz NEMXMQJEHKTGEQ-BIMULSAOSA-N 1 1 307.350 -1.059 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001084053990 776160543 /nfs/dbraw/zinc/16/05/43/776160543.db2.gz SCBUMCONNABHRZ-RTXFEEFZSA-N 1 1 308.386 -1.572 20 0 DAADMO CCn1cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001084053733 776161407 /nfs/dbraw/zinc/16/14/07/776161407.db2.gz JEAKGHHNYZGNHG-YUTCNCBUSA-N 1 1 322.413 -1.089 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084056972 776161555 /nfs/dbraw/zinc/16/15/55/776161555.db2.gz XDMYJZOXWDBIHC-MNOVXSKESA-N 1 1 320.353 -1.790 20 0 DAADMO CCn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053213 776161736 /nfs/dbraw/zinc/16/17/36/776161736.db2.gz WONSLUBDGNRHMN-UPJWGTAASA-N 1 1 322.413 -1.089 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060257 776162602 /nfs/dbraw/zinc/16/26/02/776162602.db2.gz OWQOSEHRWYPLDW-UPJWGTAASA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001084059610 776162762 /nfs/dbraw/zinc/16/27/62/776162762.db2.gz PRAURFSOZKRFDW-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001084067991 776163031 /nfs/dbraw/zinc/16/30/31/776163031.db2.gz IEODRQISNWACDW-TUAOUCFPSA-N 1 1 317.411 -1.361 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001084058818 776163191 /nfs/dbraw/zinc/16/31/91/776163191.db2.gz KRYAPJCZWWOUGK-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060133 776163496 /nfs/dbraw/zinc/16/34/96/776163496.db2.gz JHNSGTNVFXWEJI-RTXFEEFZSA-N 1 1 323.397 -1.170 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084069025 776164398 /nfs/dbraw/zinc/16/43/98/776164398.db2.gz RSLNBHLEUICNBW-UTUOFQBUSA-N 1 1 319.427 -1.115 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084073262 776165003 /nfs/dbraw/zinc/16/50/03/776165003.db2.gz OCPWMGFQBIPGMB-WOPDTQHZSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084073262 776165010 /nfs/dbraw/zinc/16/50/10/776165010.db2.gz OCPWMGFQBIPGMB-WOPDTQHZSA-N 1 1 301.343 -2.613 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](O)C1 ZINC001084073527 776165561 /nfs/dbraw/zinc/16/55/61/776165561.db2.gz XUBUAKJUPNXRAU-UPJWGTAASA-N 1 1 315.370 -1.959 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084113504 776166101 /nfs/dbraw/zinc/16/61/01/776166101.db2.gz KMEXARPIQRAUPX-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001084114861 776166364 /nfs/dbraw/zinc/16/63/64/776166364.db2.gz KUXNFXKQXYUXIS-OLZOCXBDSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001084114861 776166373 /nfs/dbraw/zinc/16/63/73/776166373.db2.gz KUXNFXKQXYUXIS-OLZOCXBDSA-N 1 1 304.354 -1.059 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084113505 776167040 /nfs/dbraw/zinc/16/70/40/776167040.db2.gz KMEXARPIQRAUPX-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)nn1 ZINC001084090212 776167953 /nfs/dbraw/zinc/16/79/53/776167953.db2.gz PCICVXULKGJIFD-PWSUYJOCSA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2nncn2C1 ZINC001084085934 776168127 /nfs/dbraw/zinc/16/81/27/776168127.db2.gz KEFVYRFVQSGZCX-TUAOUCFPSA-N 1 1 309.370 -1.616 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001084090950 776169466 /nfs/dbraw/zinc/16/94/66/776169466.db2.gz QRVBIGTWYGCXGT-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084101557 776169514 /nfs/dbraw/zinc/16/95/14/776169514.db2.gz QAFOCNUEJULBGZ-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084102665 776169996 /nfs/dbraw/zinc/16/99/96/776169996.db2.gz GTHHCBOXIPZHDE-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084091042 776170105 /nfs/dbraw/zinc/17/01/05/776170105.db2.gz VXCFDXWPBBXHGA-KOLCDFICSA-N 1 1 310.358 -1.806 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001084176952 776171177 /nfs/dbraw/zinc/17/11/77/776171177.db2.gz NVLKWEMLZKRMHX-GRYCIOLGSA-N 1 1 319.369 -1.564 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001084176952 776171180 /nfs/dbraw/zinc/17/11/80/776171180.db2.gz NVLKWEMLZKRMHX-GRYCIOLGSA-N 1 1 319.369 -1.564 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132721 776171233 /nfs/dbraw/zinc/17/12/33/776171233.db2.gz DWQYFVABMPWGSK-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084178575 776171747 /nfs/dbraw/zinc/17/17/47/776171747.db2.gz PQBULFQMDBSMGK-OUAUKWLOSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084178575 776171752 /nfs/dbraw/zinc/17/17/52/776171752.db2.gz PQBULFQMDBSMGK-OUAUKWLOSA-N 1 1 305.342 -1.906 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176883 776171947 /nfs/dbraw/zinc/17/19/47/776171947.db2.gz KSINEPUTCBMSSN-QJPTWQEYSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176883 776171952 /nfs/dbraw/zinc/17/19/52/776171952.db2.gz KSINEPUTCBMSSN-QJPTWQEYSA-N 1 1 321.385 -1.318 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084243681 776172940 /nfs/dbraw/zinc/17/29/40/776172940.db2.gz RIHOIRXCQBMECL-JHJVBQTASA-N 1 1 321.381 -1.348 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294243 776172980 /nfs/dbraw/zinc/17/29/80/776172980.db2.gz GNKMGUNHSFYJPM-GMTAPVOTSA-N 1 1 322.369 -1.220 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294243 776172985 /nfs/dbraw/zinc/17/29/85/776172985.db2.gz GNKMGUNHSFYJPM-GMTAPVOTSA-N 1 1 322.369 -1.220 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084244465 776173090 /nfs/dbraw/zinc/17/30/90/776173090.db2.gz RHAARRODRDWGBP-GHMZBOCLSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001084244557 776173199 /nfs/dbraw/zinc/17/31/99/776173199.db2.gz VKWTWWHOYXQEHD-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001084244557 776173204 /nfs/dbraw/zinc/17/32/04/776173204.db2.gz VKWTWWHOYXQEHD-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292661 776173313 /nfs/dbraw/zinc/17/33/13/776173313.db2.gz KNFVZWRFQQHQEZ-OPRDCNLKSA-N 1 1 308.342 -1.610 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292661 776173315 /nfs/dbraw/zinc/17/33/15/776173315.db2.gz KNFVZWRFQQHQEZ-OPRDCNLKSA-N 1 1 308.342 -1.610 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099797593 776173736 /nfs/dbraw/zinc/17/37/36/776173736.db2.gz WBKGDBRISZQTKQ-KGLIPLIRSA-N 1 1 324.381 -1.421 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084313332 776173995 /nfs/dbraw/zinc/17/39/95/776173995.db2.gz ZCANSWJUNMXPRG-GRYCIOLGSA-N 1 1 320.353 -1.081 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)n1 ZINC001084356755 776174653 /nfs/dbraw/zinc/17/46/53/776174653.db2.gz YWJIQHLIBAGQDU-NXEZZACHSA-N 1 1 310.333 -1.121 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)n1 ZINC001084356755 776174657 /nfs/dbraw/zinc/17/46/57/776174657.db2.gz YWJIQHLIBAGQDU-NXEZZACHSA-N 1 1 310.333 -1.121 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374980 776175191 /nfs/dbraw/zinc/17/51/91/776175191.db2.gz SKFBPWJUUSUNSQ-VXGBXAGGSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374980 776175193 /nfs/dbraw/zinc/17/51/93/776175193.db2.gz SKFBPWJUUSUNSQ-VXGBXAGGSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084319208 776175267 /nfs/dbraw/zinc/17/52/67/776175267.db2.gz SNTUJAUGRSKLJG-OUAUKWLOSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001084319208 776175270 /nfs/dbraw/zinc/17/52/70/776175270.db2.gz SNTUJAUGRSKLJG-OUAUKWLOSA-N 1 1 310.354 -1.284 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)n1 ZINC001084356406 776175549 /nfs/dbraw/zinc/17/55/49/776175549.db2.gz GUEUIKABYSSAPT-GHMZBOCLSA-N 1 1 322.369 -1.708 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084493911 776177052 /nfs/dbraw/zinc/17/70/52/776177052.db2.gz IVCUEEAKKZFPNT-GHMZBOCLSA-N 1 1 308.338 -1.526 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c1=O ZINC001084388875 776177642 /nfs/dbraw/zinc/17/76/42/776177642.db2.gz JFONVVUOTOXZDW-VXGBXAGGSA-N 1 1 322.365 -1.928 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001084493820 776177857 /nfs/dbraw/zinc/17/78/57/776177857.db2.gz FCBSXBYKBOPFFI-QJPTWQEYSA-N 1 1 322.365 -1.138 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001084483109 776177910 /nfs/dbraw/zinc/17/79/10/776177910.db2.gz VSKCHBMIYIEDCH-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001084483109 776177915 /nfs/dbraw/zinc/17/79/15/776177915.db2.gz VSKCHBMIYIEDCH-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084494159 776178198 /nfs/dbraw/zinc/17/81/98/776178198.db2.gz VXXODWDOHLOPFT-VXGBXAGGSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084401734 776178465 /nfs/dbraw/zinc/17/84/65/776178465.db2.gz PVVDCVJGJMUETA-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084401734 776178497 /nfs/dbraw/zinc/17/84/97/776178497.db2.gz PVVDCVJGJMUETA-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573429 776179750 /nfs/dbraw/zinc/17/97/50/776179750.db2.gz SSQSAYJCDRLXSK-YNEHKIRRSA-N 1 1 310.398 -1.668 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)c1=O ZINC001084541929 776180224 /nfs/dbraw/zinc/18/02/24/776180224.db2.gz BCKKRECUNHOHAG-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090398752 776180400 /nfs/dbraw/zinc/18/04/00/776180400.db2.gz IFSPSOHJCSUXIL-CMPLNLGQSA-N 1 1 310.354 -1.719 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)O1 ZINC001084659347 776183828 /nfs/dbraw/zinc/18/38/28/776183828.db2.gz BLBQUIAZRJAMTH-FVCCEPFGSA-N 1 1 311.382 -1.066 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099811987 776183923 /nfs/dbraw/zinc/18/39/23/776183923.db2.gz ATGNUBBDWCUFJB-NWDGAFQWSA-N 1 1 312.370 -1.108 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625535 776183958 /nfs/dbraw/zinc/18/39/58/776183958.db2.gz FIRVLRUDMMEUGY-HBNTYKKESA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625535 776183960 /nfs/dbraw/zinc/18/39/60/776183960.db2.gz FIRVLRUDMMEUGY-HBNTYKKESA-N 1 1 308.382 -1.081 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099811986 776184090 /nfs/dbraw/zinc/18/40/90/776184090.db2.gz ATGNUBBDWCUFJB-NEPJUHHUSA-N 1 1 312.370 -1.108 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1=O ZINC001084698353 776185430 /nfs/dbraw/zinc/18/54/30/776185430.db2.gz SPNRQEKVKKRKRO-NXEZZACHSA-N 1 1 324.337 -2.068 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084738058 776185499 /nfs/dbraw/zinc/18/54/99/776185499.db2.gz OFIZVUDSTPHNJX-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084738058 776185502 /nfs/dbraw/zinc/18/55/02/776185502.db2.gz OFIZVUDSTPHNJX-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717499 776186195 /nfs/dbraw/zinc/18/61/95/776186195.db2.gz YOTCBMMPFKOXKJ-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717499 776186197 /nfs/dbraw/zinc/18/61/97/776186197.db2.gz YOTCBMMPFKOXKJ-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084726935 776186278 /nfs/dbraw/zinc/18/62/78/776186278.db2.gz XJKXTNOUWVEHFJ-HBNTYKKESA-N 1 1 310.354 -1.548 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)S1(=O)=O ZINC001084715222 776186348 /nfs/dbraw/zinc/18/63/48/776186348.db2.gz URFOEXCDJAQIJY-UTUOFQBUSA-N 1 1 317.411 -1.455 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC001084715222 776186354 /nfs/dbraw/zinc/18/63/54/776186354.db2.gz URFOEXCDJAQIJY-UTUOFQBUSA-N 1 1 317.411 -1.455 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)C1=O ZINC001084772679 776188387 /nfs/dbraw/zinc/18/83/87/776188387.db2.gz KWIUYXXGIHMALT-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785470 776188498 /nfs/dbraw/zinc/18/84/98/776188498.db2.gz KTMOFFBBNPSRBZ-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084785470 776188506 /nfs/dbraw/zinc/18/85/06/776188506.db2.gz KTMOFFBBNPSRBZ-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099836376 776189308 /nfs/dbraw/zinc/18/93/08/776189308.db2.gz YXGHJLOWWMIKAV-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001084838453 776189545 /nfs/dbraw/zinc/18/95/45/776189545.db2.gz KUHLETZNKFRBRT-IJLUTSLNSA-N 1 1 317.411 -1.143 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001084814610 776189579 /nfs/dbraw/zinc/18/95/79/776189579.db2.gz OCKHEAHZDMKNHG-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001084814610 776189597 /nfs/dbraw/zinc/18/95/97/776189597.db2.gz OCKHEAHZDMKNHG-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001084838452 776190120 /nfs/dbraw/zinc/19/01/20/776190120.db2.gz KUHLETZNKFRBRT-GRYCIOLGSA-N 1 1 317.411 -1.143 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817254 776190264 /nfs/dbraw/zinc/19/02/64/776190264.db2.gz RCFZIGSFSDEYGR-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817254 776190268 /nfs/dbraw/zinc/19/02/68/776190268.db2.gz RCFZIGSFSDEYGR-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)C1=O ZINC001084818624 776190278 /nfs/dbraw/zinc/19/02/78/776190278.db2.gz LHJUFRSNBLSVKD-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817166 776190690 /nfs/dbraw/zinc/19/06/90/776190690.db2.gz MVQCENKEKSIQHH-VXGBXAGGSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817166 776190697 /nfs/dbraw/zinc/19/06/97/776190697.db2.gz MVQCENKEKSIQHH-VXGBXAGGSA-N 1 1 306.370 -1.101 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099836375 776190943 /nfs/dbraw/zinc/19/09/43/776190943.db2.gz YXGHJLOWWMIKAV-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084820246 776191049 /nfs/dbraw/zinc/19/10/49/776191049.db2.gz NAYHYPVBMGMRIF-NXEZZACHSA-N 1 1 305.338 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817255 776191071 /nfs/dbraw/zinc/19/10/71/776191071.db2.gz RCFZIGSFSDEYGR-QJPTWQEYSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001084817255 776191075 /nfs/dbraw/zinc/19/10/75/776191075.db2.gz RCFZIGSFSDEYGR-QJPTWQEYSA-N 1 1 306.370 -1.055 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001084852807 776191646 /nfs/dbraw/zinc/19/16/46/776191646.db2.gz OUGDUHWTRBQBCO-ZYHUDNBSSA-N 1 1 322.369 -1.444 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099838570 776192206 /nfs/dbraw/zinc/19/22/06/776192206.db2.gz OYHYNFUNBQLCIP-QWRGUYRKSA-N 1 1 314.346 -2.767 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910902 776193205 /nfs/dbraw/zinc/19/32/05/776193205.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910902 776193211 /nfs/dbraw/zinc/19/32/11/776193211.db2.gz HIVLADKCRLNRET-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090402044 776193794 /nfs/dbraw/zinc/19/37/94/776193794.db2.gz FFWKPAWGIAAFDJ-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090402044 776193799 /nfs/dbraw/zinc/19/37/99/776193799.db2.gz FFWKPAWGIAAFDJ-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844064 776193966 /nfs/dbraw/zinc/19/39/66/776193966.db2.gz BGETYEASCUEELA-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844064 776193969 /nfs/dbraw/zinc/19/39/69/776193969.db2.gz BGETYEASCUEELA-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090402045 776194242 /nfs/dbraw/zinc/19/42/42/776194242.db2.gz FFWKPAWGIAAFDJ-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090402045 776194246 /nfs/dbraw/zinc/19/42/46/776194246.db2.gz FFWKPAWGIAAFDJ-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084873434 776194639 /nfs/dbraw/zinc/19/46/39/776194639.db2.gz GBMJUDOCSHYECG-IJLUTSLNSA-N 1 1 309.366 -1.046 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099861274 776195514 /nfs/dbraw/zinc/19/55/14/776195514.db2.gz PFSYFNWBFFSXAB-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O)S(C)(=O)=O ZINC001099861014 776195722 /nfs/dbraw/zinc/19/57/22/776195722.db2.gz LKXHXUHLVHSQDU-VHSXEESVSA-N 1 1 309.388 -2.579 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099861403 776195754 /nfs/dbraw/zinc/19/57/54/776195754.db2.gz RSQQYMQQGFWJJQ-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099861403 776195756 /nfs/dbraw/zinc/19/57/56/776195756.db2.gz RSQQYMQQGFWJJQ-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 ZINC001085020385 776197100 /nfs/dbraw/zinc/19/71/00/776197100.db2.gz SIZLDSJSTBWYMX-VWYCJHECSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 ZINC001085020385 776197106 /nfs/dbraw/zinc/19/71/06/776197106.db2.gz SIZLDSJSTBWYMX-VWYCJHECSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)NC1=O ZINC001085006510 776197156 /nfs/dbraw/zinc/19/71/56/776197156.db2.gz DCQIHLWHLWHZAI-VWYCJHECSA-N 1 1 309.370 -1.582 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)NC1=O ZINC001085006510 776197163 /nfs/dbraw/zinc/19/71/63/776197163.db2.gz DCQIHLWHLWHZAI-VWYCJHECSA-N 1 1 309.370 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099865069 776197685 /nfs/dbraw/zinc/19/76/85/776197685.db2.gz YKHGLGBMIFYWPT-WDEREUQCSA-N 1 1 303.359 -2.317 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 ZINC001085021000 776198045 /nfs/dbraw/zinc/19/80/45/776198045.db2.gz XDRBGIQNRDZPQZ-WOPDTQHZSA-N 1 1 323.397 -1.321 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099863998 776198323 /nfs/dbraw/zinc/19/83/23/776198323.db2.gz PHKXMOTZLKKWQZ-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099863998 776198330 /nfs/dbraw/zinc/19/83/30/776198330.db2.gz PHKXMOTZLKKWQZ-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 ZINC001085107595 776199260 /nfs/dbraw/zinc/19/92/60/776199260.db2.gz BMISZCIFQKWCAV-MXWKQRLJSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]21 ZINC001085107595 776199269 /nfs/dbraw/zinc/19/92/69/776199269.db2.gz BMISZCIFQKWCAV-MXWKQRLJSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001085021832 776199323 /nfs/dbraw/zinc/19/93/23/776199323.db2.gz FMRMIMJVDCPCIC-UPJWGTAASA-N 1 1 321.381 -1.348 20 0 DAADMO O=C(CCCn1ccnn1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099869276 776199363 /nfs/dbraw/zinc/19/93/63/776199363.db2.gz MOVALNYFWBSGJL-QWHCGFSZSA-N 1 1 311.386 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001085089125 776199718 /nfs/dbraw/zinc/19/97/18/776199718.db2.gz CCDFMGVNMTVUSE-UTUOFQBUSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085108511 776199859 /nfs/dbraw/zinc/19/98/59/776199859.db2.gz KGHHAQBTIIAQIQ-WOPDTQHZSA-N 1 1 309.366 -1.046 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085089541 776200069 /nfs/dbraw/zinc/20/00/69/776200069.db2.gz KARTVZMYNCGYFT-WOPDTQHZSA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C)S(=O)(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000823724769 776201452 /nfs/dbraw/zinc/20/14/52/776201452.db2.gz AFOBODDPXJVQER-UHFFFAOYSA-N 1 1 312.417 -2.288 20 0 DAADMO CCN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)CC(N)=O ZINC001273305294 776204219 /nfs/dbraw/zinc/20/42/19/776204219.db2.gz IDRIAPNHBHTPDJ-UHFFFAOYSA-N 1 1 310.358 -1.378 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC(N)=O ZINC001288245581 776204249 /nfs/dbraw/zinc/20/42/49/776204249.db2.gz PBUWSRPQUACRRD-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001098368032 776205578 /nfs/dbraw/zinc/20/55/78/776205578.db2.gz YMABJVQMPHIOAV-UHFFFAOYSA-N 1 1 311.346 -2.556 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973570 776207993 /nfs/dbraw/zinc/20/79/93/776207993.db2.gz FVEKJYRYOZOXOM-JGVFFNPUSA-N 1 1 308.360 -3.428 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973570 776207995 /nfs/dbraw/zinc/20/79/95/776207995.db2.gz FVEKJYRYOZOXOM-JGVFFNPUSA-N 1 1 308.360 -3.428 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099971702 776208009 /nfs/dbraw/zinc/20/80/09/776208009.db2.gz LJCSAGOUSODRGE-STQMWFEESA-N 1 1 312.370 -1.003 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971873 776208056 /nfs/dbraw/zinc/20/80/56/776208056.db2.gz NPIMGNVEBJPQRP-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971873 776208059 /nfs/dbraw/zinc/20/80/59/776208059.db2.gz NPIMGNVEBJPQRP-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973238 776208227 /nfs/dbraw/zinc/20/82/27/776208227.db2.gz AGXTZSBYQAEDNM-DTWKUNHWSA-N 1 1 322.387 -3.038 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973238 776208232 /nfs/dbraw/zinc/20/82/32/776208232.db2.gz AGXTZSBYQAEDNM-DTWKUNHWSA-N 1 1 322.387 -3.038 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1)S(C)(=O)=O ZINC001099974938 776209189 /nfs/dbraw/zinc/20/91/89/776209189.db2.gz WXDSHCUDKJDVDC-DTWKUNHWSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(CC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1)S(C)(=O)=O ZINC001099974938 776209194 /nfs/dbraw/zinc/20/91/94/776209194.db2.gz WXDSHCUDKJDVDC-DTWKUNHWSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1)S(C)(=O)=O ZINC001099974941 776209278 /nfs/dbraw/zinc/20/92/78/776209278.db2.gz WXDSHCUDKJDVDC-IUCAKERBSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(CC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1)S(C)(=O)=O ZINC001099974941 776209283 /nfs/dbraw/zinc/20/92/83/776209283.db2.gz WXDSHCUDKJDVDC-IUCAKERBSA-N 1 1 322.387 -3.086 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2nccn2)CC1 ZINC001098378789 776209846 /nfs/dbraw/zinc/20/98/46/776209846.db2.gz GXZHZTBGOOARSS-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2nccn2)CC1 ZINC001098378939 776210275 /nfs/dbraw/zinc/21/02/75/776210275.db2.gz LFJYQQBDNWEXFP-LBPRGKRZSA-N 1 1 311.386 -1.056 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085530651 776213200 /nfs/dbraw/zinc/21/32/00/776213200.db2.gz BZWFJTNMHLVVJX-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085530651 776213209 /nfs/dbraw/zinc/21/32/09/776213209.db2.gz BZWFJTNMHLVVJX-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085530784 776213470 /nfs/dbraw/zinc/21/34/70/776213470.db2.gz FNIODHVGXDKCCL-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085530784 776213478 /nfs/dbraw/zinc/21/34/78/776213478.db2.gz FNIODHVGXDKCCL-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531552 776213795 /nfs/dbraw/zinc/21/37/95/776213795.db2.gz VTFIIVAKPNTKPC-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531552 776213803 /nfs/dbraw/zinc/21/38/03/776213803.db2.gz VTFIIVAKPNTKPC-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000828637533 776213880 /nfs/dbraw/zinc/21/38/80/776213880.db2.gz YVVWFGGUXVGXIU-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085530783 776213905 /nfs/dbraw/zinc/21/39/05/776213905.db2.gz FNIODHVGXDKCCL-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085530783 776213911 /nfs/dbraw/zinc/21/39/11/776213911.db2.gz FNIODHVGXDKCCL-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO C/C(=C\C(=O)NC[C@]1(CO)COCC[NH2+]1)CN1CCOCC1 ZINC000828697038 776215506 /nfs/dbraw/zinc/21/55/06/776215506.db2.gz DBXQUZTZICGFOM-NRUITVPNSA-N 1 1 313.398 -1.268 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001085582158 776216587 /nfs/dbraw/zinc/21/65/87/776216587.db2.gz DBNDIVSSBXYIDD-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001085582158 776216597 /nfs/dbraw/zinc/21/65/97/776216597.db2.gz DBNDIVSSBXYIDD-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@@H]1O ZINC001099986935 776217096 /nfs/dbraw/zinc/21/70/96/776217096.db2.gz RJDCZCVEDHXLNE-STQMWFEESA-N 1 1 310.402 -1.219 20 0 DAADMO CNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670279 776218409 /nfs/dbraw/zinc/21/84/09/776218409.db2.gz SUOFIZJLUCZKGP-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670279 776218413 /nfs/dbraw/zinc/21/84/13/776218413.db2.gz SUOFIZJLUCZKGP-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1n[nH]cc1F ZINC001099991971 776221333 /nfs/dbraw/zinc/22/13/33/776221333.db2.gz SENYSJNBAXEXAR-WDEREUQCSA-N 1 1 316.333 -1.277 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793158 776225473 /nfs/dbraw/zinc/22/54/73/776225473.db2.gz CNHNLGCNGBWJKR-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793158 776225479 /nfs/dbraw/zinc/22/54/79/776225479.db2.gz CNHNLGCNGBWJKR-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793715 776225510 /nfs/dbraw/zinc/22/55/10/776225510.db2.gz NPXDKHCEPSEUTA-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793715 776225517 /nfs/dbraw/zinc/22/55/17/776225517.db2.gz NPXDKHCEPSEUTA-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[N@H+](CCO)CCO1 ZINC001108210631 776227677 /nfs/dbraw/zinc/22/76/77/776227677.db2.gz BYWYRMFCEXKUFO-WDMOLILDSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[N@@H+](CCO)CCO1 ZINC001108210631 776227683 /nfs/dbraw/zinc/22/76/83/776227683.db2.gz BYWYRMFCEXKUFO-WDMOLILDSA-N 1 1 315.370 -1.781 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085817847 776228170 /nfs/dbraw/zinc/22/81/70/776228170.db2.gz KEZYDAIDEAIXFM-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085817847 776228171 /nfs/dbraw/zinc/22/81/71/776228171.db2.gz KEZYDAIDEAIXFM-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273364272 776228292 /nfs/dbraw/zinc/22/82/92/776228292.db2.gz ZPZMIBRRLZRJGU-PHIMTYICSA-N 1 1 304.354 -1.054 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085867941 776228965 /nfs/dbraw/zinc/22/89/65/776228965.db2.gz AHWHDEYYNZDRIO-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085867941 776228973 /nfs/dbraw/zinc/22/89/73/776228973.db2.gz AHWHDEYYNZDRIO-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085867940 776229993 /nfs/dbraw/zinc/22/99/93/776229993.db2.gz AHWHDEYYNZDRIO-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085867940 776229994 /nfs/dbraw/zinc/22/99/94/776229994.db2.gz AHWHDEYYNZDRIO-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001100008616 776230678 /nfs/dbraw/zinc/23/06/78/776230678.db2.gz LIHPGHXKROKWSW-STQMWFEESA-N 1 1 311.386 -1.319 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008331 776231402 /nfs/dbraw/zinc/23/14/02/776231402.db2.gz GHEOGNPOUDYKQV-QWHCGFSZSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085924334 776231836 /nfs/dbraw/zinc/23/18/36/776231836.db2.gz TVTJHIIQGJQTJO-UWVGGRQHSA-N 1 1 320.353 -1.055 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085923963 776231894 /nfs/dbraw/zinc/23/18/94/776231894.db2.gz LDOGTWMFLAAMTA-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001098396057 776231949 /nfs/dbraw/zinc/23/19/49/776231949.db2.gz NFLFFMVLTZXJND-NSHDSACASA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001085934510 776232053 /nfs/dbraw/zinc/23/20/53/776232053.db2.gz DGWQAAYNAGRDBX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001085934510 776232062 /nfs/dbraw/zinc/23/20/62/776232062.db2.gz DGWQAAYNAGRDBX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986488 776235322 /nfs/dbraw/zinc/23/53/22/776235322.db2.gz FLBPDJHROGJEID-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986488 776235331 /nfs/dbraw/zinc/23/53/31/776235331.db2.gz FLBPDJHROGJEID-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO O=C(COC1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100025469 776236567 /nfs/dbraw/zinc/23/65/67/776236567.db2.gz WPEVWPMKHJBTCY-CHWSQXEVSA-N 1 1 302.371 -1.274 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001086064752 776236657 /nfs/dbraw/zinc/23/66/57/776236657.db2.gz HTHPZMIMXWVEND-GRYCIOLGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001086031969 776236696 /nfs/dbraw/zinc/23/66/96/776236696.db2.gz ANYRKECNLISNKS-OUAUKWLOSA-N 1 1 310.358 -1.390 20 0 DAADMO O=C(COC1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100025470 776236786 /nfs/dbraw/zinc/23/67/86/776236786.db2.gz WPEVWPMKHJBTCY-OLZOCXBDSA-N 1 1 302.371 -1.274 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086052324 776236928 /nfs/dbraw/zinc/23/69/28/776236928.db2.gz HQYFWZAKRDTWPJ-TUAOUCFPSA-N 1 1 323.401 -1.475 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090403682 776237177 /nfs/dbraw/zinc/23/71/77/776237177.db2.gz OGLNFBYPNOWQBT-UWVGGRQHSA-N 1 1 312.326 -2.507 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086052578 776237190 /nfs/dbraw/zinc/23/71/90/776237190.db2.gz OKWXEKYBXYUGTB-GRYCIOLGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086052578 776237195 /nfs/dbraw/zinc/23/71/95/776237195.db2.gz OKWXEKYBXYUGTB-GRYCIOLGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001086075532 776237792 /nfs/dbraw/zinc/23/77/92/776237792.db2.gz MQUVLPUNJJFTBS-HRDYMLBCSA-N 1 1 309.330 -1.697 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108242011 776239581 /nfs/dbraw/zinc/23/95/81/776239581.db2.gz IESZAYOFPZKGNY-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108242011 776239585 /nfs/dbraw/zinc/23/95/85/776239585.db2.gz IESZAYOFPZKGNY-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@@H](C)OC)n1 ZINC001155252253 776239946 /nfs/dbraw/zinc/23/99/46/776239946.db2.gz ZHSBGEAFZMWYBR-SECBINFHSA-N 1 1 313.358 -1.011 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100029113 776240079 /nfs/dbraw/zinc/24/00/79/776240079.db2.gz IPUMVHHGCMRDQH-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108242014 776240101 /nfs/dbraw/zinc/24/01/01/776240101.db2.gz IESZAYOFPZKGNY-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108242014 776240106 /nfs/dbraw/zinc/24/01/06/776240106.db2.gz IESZAYOFPZKGNY-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108242006 776240726 /nfs/dbraw/zinc/24/07/26/776240726.db2.gz IESZAYOFPZKGNY-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108242006 776240731 /nfs/dbraw/zinc/24/07/31/776240731.db2.gz IESZAYOFPZKGNY-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)CS(C)(=O)=O)n1 ZINC001155302867 776241473 /nfs/dbraw/zinc/24/14/73/776241473.db2.gz XOEJVFGFVTXMSE-UHFFFAOYSA-N 1 1 320.371 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001086112637 776241971 /nfs/dbraw/zinc/24/19/71/776241971.db2.gz SWAXEZRNMDXHBD-OUAUKWLOSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090405662 776244701 /nfs/dbraw/zinc/24/47/01/776244701.db2.gz YQGQBNXHHKVHEH-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090405662 776244711 /nfs/dbraw/zinc/24/47/11/776244711.db2.gz YQGQBNXHHKVHEH-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090405831 776245669 /nfs/dbraw/zinc/24/56/69/776245669.db2.gz ZBOQWHIYJXPYSV-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001086167827 776247213 /nfs/dbraw/zinc/24/72/13/776247213.db2.gz WDMVJYUTZKRJCW-DTORHVGOSA-N 1 1 320.357 -1.053 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100042234 776249546 /nfs/dbraw/zinc/24/95/46/776249546.db2.gz WEYQGYQEGFWNBH-JQWIXIFHSA-N 1 1 314.342 -1.102 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001086187385 776249626 /nfs/dbraw/zinc/24/96/26/776249626.db2.gz SIKBXDVDOOSYDW-DTORHVGOSA-N 1 1 320.357 -1.053 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001086227944 776251627 /nfs/dbraw/zinc/25/16/27/776251627.db2.gz NMFXJHFTXYKHOA-YIZRAAEISA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001086227944 776251630 /nfs/dbraw/zinc/25/16/30/776251630.db2.gz NMFXJHFTXYKHOA-YIZRAAEISA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086213070 776251840 /nfs/dbraw/zinc/25/18/40/776251840.db2.gz LUSAWQFOPIZLNC-XKSSXDPKSA-N 1 1 322.325 -1.348 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100051186 776252964 /nfs/dbraw/zinc/25/29/64/776252964.db2.gz UAXRTCSPYZFLQX-NWDGAFQWSA-N 1 1 310.354 -1.823 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001086252775 776253409 /nfs/dbraw/zinc/25/34/09/776253409.db2.gz ZMZRNGMEVJQAPK-LPEHRKFASA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001086252775 776253417 /nfs/dbraw/zinc/25/34/17/776253417.db2.gz ZMZRNGMEVJQAPK-LPEHRKFASA-N 1 1 306.370 -1.121 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001086342911 776256204 /nfs/dbraw/zinc/25/62/04/776256204.db2.gz HTHPZMIMXWVEND-IJLUTSLNSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001086337695 776256895 /nfs/dbraw/zinc/25/68/95/776256895.db2.gz GIXNIXMYEBZMJV-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086331644 776256903 /nfs/dbraw/zinc/25/69/03/776256903.db2.gz BSTGCQZXYMVQAO-GMTAPVOTSA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086331644 776256907 /nfs/dbraw/zinc/25/69/07/776256907.db2.gz BSTGCQZXYMVQAO-GMTAPVOTSA-N 1 1 324.385 -1.175 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100066245 776256938 /nfs/dbraw/zinc/25/69/38/776256938.db2.gz FDZPJPLFQIHMGG-VXGBXAGGSA-N 1 1 301.387 -1.034 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001086342912 776257041 /nfs/dbraw/zinc/25/70/41/776257041.db2.gz HTHPZMIMXWVEND-SRVKXCTJSA-N 1 1 323.401 -1.475 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001100072687 776258318 /nfs/dbraw/zinc/25/83/18/776258318.db2.gz ZBEDJXDYHCYXFH-VXGBXAGGSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001086455874 776265249 /nfs/dbraw/zinc/26/52/49/776265249.db2.gz HBDNASWDNWLFGQ-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001086452974 776265959 /nfs/dbraw/zinc/26/59/59/776265959.db2.gz ZOVQWWSJHPHUPH-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@]1(CNC(=O)C2CC(=O)NC(=O)C2)C[N@H+](CCO)CCO1 ZINC001108278381 776266111 /nfs/dbraw/zinc/26/61/11/776266111.db2.gz NJKGMLUZUCAQDX-CQSZACIVSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@]1(CNC(=O)C2CC(=O)NC(=O)C2)C[N@@H+](CCO)CCO1 ZINC001108278381 776266115 /nfs/dbraw/zinc/26/61/15/776266115.db2.gz NJKGMLUZUCAQDX-CQSZACIVSA-N 1 1 313.354 -1.761 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100100614 776266539 /nfs/dbraw/zinc/26/65/39/776266539.db2.gz BQMDDOLTSIVLCW-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100100614 776266548 /nfs/dbraw/zinc/26/65/48/776266548.db2.gz BQMDDOLTSIVLCW-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO C[C@@]1(CNC(=O)CC[NH+]2CCOCC2)CN(CCO)CCO1 ZINC001108279685 776266710 /nfs/dbraw/zinc/26/67/10/776266710.db2.gz ICPPAQOOABHTSO-OAHLLOKOSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001086508194 776268682 /nfs/dbraw/zinc/26/86/82/776268682.db2.gz HDBYGHLXSUUEBB-MGCOHNPYSA-N 1 1 307.358 -1.072 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001086508194 776268686 /nfs/dbraw/zinc/26/86/86/776268686.db2.gz HDBYGHLXSUUEBB-MGCOHNPYSA-N 1 1 307.358 -1.072 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101479 776269319 /nfs/dbraw/zinc/26/93/19/776269319.db2.gz MZDQISCJXOCRSA-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101479 776269324 /nfs/dbraw/zinc/26/93/24/776269324.db2.gz MZDQISCJXOCRSA-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101482 776269581 /nfs/dbraw/zinc/26/95/81/776269581.db2.gz MZDQISCJXOCRSA-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101482 776269586 /nfs/dbraw/zinc/26/95/86/776269586.db2.gz MZDQISCJXOCRSA-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001098448987 776271389 /nfs/dbraw/zinc/27/13/89/776271389.db2.gz ZXJPTOHYAXAARY-WCQYABFASA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001098448986 776271837 /nfs/dbraw/zinc/27/18/37/776271837.db2.gz ZXJPTOHYAXAARY-DGCLKSJQSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001098454726 776273435 /nfs/dbraw/zinc/27/34/35/776273435.db2.gz QYEGTJIEZSMPAO-UHFFFAOYSA-N 1 1 312.374 -1.245 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100115996 776273850 /nfs/dbraw/zinc/27/38/50/776273850.db2.gz JHWWNSWLMSWHPD-NWDGAFQWSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100115996 776273857 /nfs/dbraw/zinc/27/38/57/776273857.db2.gz JHWWNSWLMSWHPD-NWDGAFQWSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100115997 776274228 /nfs/dbraw/zinc/27/42/28/776274228.db2.gz JHWWNSWLMSWHPD-RYUDHWBXSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100115997 776274231 /nfs/dbraw/zinc/27/42/31/776274231.db2.gz JHWWNSWLMSWHPD-RYUDHWBXSA-N 1 1 322.427 -1.257 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnnn2)C[N@H+](CCCO)CCO1 ZINC001108303114 776275354 /nfs/dbraw/zinc/27/53/54/776275354.db2.gz TWMDXUDTKKOUMB-ZDUSSCGKSA-N 1 1 312.374 -1.347 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnnn2)C[N@@H+](CCCO)CCO1 ZINC001108303114 776275359 /nfs/dbraw/zinc/27/53/59/776275359.db2.gz TWMDXUDTKKOUMB-ZDUSSCGKSA-N 1 1 312.374 -1.347 20 0 DAADMO C[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[N@H+](CCO)CCO1 ZINC001108304877 776276322 /nfs/dbraw/zinc/27/63/22/776276322.db2.gz PBRQIEJKVBNWLP-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[N@@H+](CCO)CCO1 ZINC001108304877 776276327 /nfs/dbraw/zinc/27/63/27/776276327.db2.gz PBRQIEJKVBNWLP-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[N@H+](CCO)CCO1 ZINC001108304878 776276433 /nfs/dbraw/zinc/27/64/33/776276433.db2.gz PBRQIEJKVBNWLP-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@@]1(CNC(=O)c2cc(C(N)=O)c[nH]2)C[N@@H+](CCO)CCO1 ZINC001108304878 776276437 /nfs/dbraw/zinc/27/64/37/776276437.db2.gz PBRQIEJKVBNWLP-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC1CCOCC1 ZINC001168789511 776277183 /nfs/dbraw/zinc/27/71/83/776277183.db2.gz UJMRQDAJIWYYHO-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC1CCOCC1 ZINC001168789511 776277190 /nfs/dbraw/zinc/27/71/90/776277190.db2.gz UJMRQDAJIWYYHO-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)ccc1=O ZINC001108382026 776278574 /nfs/dbraw/zinc/27/85/74/776278574.db2.gz GTRHJIXNECKCHX-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)ccc1=O ZINC001108382026 776278582 /nfs/dbraw/zinc/27/85/82/776278582.db2.gz GTRHJIXNECKCHX-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CNC2=O)C[N@H+](CCO)CCO1 ZINC001108385836 776279338 /nfs/dbraw/zinc/27/93/38/776279338.db2.gz RIPOJZXGUSYIIE-CYBMUJFWSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CNC2=O)C[N@@H+](CCO)CCO1 ZINC001108385836 776279343 /nfs/dbraw/zinc/27/93/43/776279343.db2.gz RIPOJZXGUSYIIE-CYBMUJFWSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383189 776279367 /nfs/dbraw/zinc/27/93/67/776279367.db2.gz ZDPQFVRWWUJCNK-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383189 776279376 /nfs/dbraw/zinc/27/93/76/776279376.db2.gz ZDPQFVRWWUJCNK-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388252 776280857 /nfs/dbraw/zinc/28/08/57/776280857.db2.gz ZZFIQTROMMGZOB-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388252 776280865 /nfs/dbraw/zinc/28/08/65/776280865.db2.gz ZZFIQTROMMGZOB-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402996 776282045 /nfs/dbraw/zinc/28/20/45/776282045.db2.gz SANLCKFYYZTMHL-JQWIXIFHSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402996 776282047 /nfs/dbraw/zinc/28/20/47/776282047.db2.gz SANLCKFYYZTMHL-JQWIXIFHSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402997 776282106 /nfs/dbraw/zinc/28/21/06/776282106.db2.gz SANLCKFYYZTMHL-PWSUYJOCSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402997 776282108 /nfs/dbraw/zinc/28/21/08/776282108.db2.gz SANLCKFYYZTMHL-PWSUYJOCSA-N 1 1 305.400 -1.095 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100685 776284816 /nfs/dbraw/zinc/28/48/16/776284816.db2.gz LHTURAVYAUMKGK-NCNPMAKBSA-N 1 1 302.371 -1.999 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)CNC(N)=O ZINC001169062596 776285376 /nfs/dbraw/zinc/28/53/76/776285376.db2.gz MIZNIGWKURYYFV-SECBINFHSA-N 1 1 312.378 -1.357 20 0 DAADMO C[NH+]1CCN(C(=O)c2ccnc(N[C@@H](CO)C(N)=O)c2)CC1 ZINC001169324026 776288710 /nfs/dbraw/zinc/28/87/10/776288710.db2.gz NVMWRZVSUNSZMT-NSHDSACASA-N 1 1 307.354 -1.273 20 0 DAADMO COCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001108492971 776291632 /nfs/dbraw/zinc/29/16/32/776291632.db2.gz CHMFEUJKGKVMHA-CMPLNLGQSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108499059 776292220 /nfs/dbraw/zinc/29/22/20/776292220.db2.gz SGJSVXFOADOSFU-LLVKDONJSA-N 1 1 314.361 -1.117 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001108499367 776294389 /nfs/dbraw/zinc/29/43/89/776294389.db2.gz ZOLDDVMPEJPMDA-KOLCDFICSA-N 1 1 312.370 -2.095 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108525929 776297432 /nfs/dbraw/zinc/29/74/32/776297432.db2.gz RXWXTYSMJRRWJP-UWVGGRQHSA-N 1 1 312.370 -1.702 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523542 776298196 /nfs/dbraw/zinc/29/81/96/776298196.db2.gz LPYXJOIWYQLIBJ-ZJUUUORDSA-N 1 1 312.370 -1.702 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108525367 776298254 /nfs/dbraw/zinc/29/82/54/776298254.db2.gz LJJKWZQMFQRISG-VIFPVBQESA-N 1 1 300.334 -1.377 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001108536245 776298899 /nfs/dbraw/zinc/29/88/99/776298899.db2.gz CNMJFBFRQOZLLC-UWVGGRQHSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108534908 776298977 /nfs/dbraw/zinc/29/89/77/776298977.db2.gz UOLVCPMGNYQURK-JTQLQIEISA-N 1 1 312.370 -2.094 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108536301 776299827 /nfs/dbraw/zinc/29/98/27/776299827.db2.gz DIZPNUZRPKEDJB-VHSXEESVSA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108541108 776300357 /nfs/dbraw/zinc/30/03/57/776300357.db2.gz OCIYFDZPBONPRS-LLVKDONJSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC(C)(C)O)CC2=O)C1 ZINC001108541759 776301014 /nfs/dbraw/zinc/30/10/14/776301014.db2.gz ZBOVZFOZZDXDQP-MNOVXSKESA-N 1 1 313.398 -1.071 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CCNC(=O)NC)CC2=O)C1 ZINC001108540890 776301242 /nfs/dbraw/zinc/30/12/42/776301242.db2.gz JRBNNWWPUPBFMO-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C(=O)NCC(F)F)CC2=O)C1 ZINC001108551744 776304272 /nfs/dbraw/zinc/30/42/72/776304272.db2.gz AQBJEWSCJLWMIW-QMMMGPOBSA-N 1 1 318.324 -1.211 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129346890 776305256 /nfs/dbraw/zinc/30/52/56/776305256.db2.gz IGLUOAJICRJUHI-UHFFFAOYSA-N 1 1 305.346 -1.415 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566012 776307605 /nfs/dbraw/zinc/30/76/05/776307605.db2.gz CJUXPMDAIPFDMC-SCZZXKLOSA-N 1 1 314.342 -3.120 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108580249 776308300 /nfs/dbraw/zinc/30/83/00/776308300.db2.gz DWBDDKGKGTUVPM-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)c1cc[nH+]c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1 ZINC001169969468 776310937 /nfs/dbraw/zinc/31/09/37/776310937.db2.gz ITLHPQMADFYIEN-NENRSDFPSA-N 1 1 300.315 -2.246 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090420562 776312903 /nfs/dbraw/zinc/31/29/03/776312903.db2.gz OVKNLITVROTNPX-TZMCWYRMSA-N 1 1 309.366 -1.067 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126109 776313141 /nfs/dbraw/zinc/31/31/41/776313141.db2.gz BOCGYFUNZNNVNL-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C2)nc(C)[nH+]1 ZINC001090421463 776315289 /nfs/dbraw/zinc/31/52/89/776315289.db2.gz MOLNIUVJWWMXTJ-GHMZBOCLSA-N 1 1 322.369 -1.182 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126704 776316836 /nfs/dbraw/zinc/31/68/36/776316836.db2.gz LJYZZHWZEAUSLA-QWRGUYRKSA-N 1 1 310.358 -2.034 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001108876808 776317474 /nfs/dbraw/zinc/31/74/74/776317474.db2.gz DCDSDQGOLYQHIP-AGIUHOORSA-N 1 1 323.397 -1.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108907155 776318711 /nfs/dbraw/zinc/31/87/11/776318711.db2.gz IEGPLVMMYRYLKC-RHYQMDGZSA-N 1 1 310.358 -1.598 20 0 DAADMO COc1c[nH+]c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1C ZINC001169970304 776319297 /nfs/dbraw/zinc/31/92/97/776319297.db2.gz DTVBHVDGMRRCKF-WECGXBHGSA-N 1 1 300.311 -1.390 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001108913858 776319640 /nfs/dbraw/zinc/31/96/40/776319640.db2.gz XQJRIPDBSRMGKI-VPOLOUISSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001108913858 776319649 /nfs/dbraw/zinc/31/96/49/776319649.db2.gz XQJRIPDBSRMGKI-VPOLOUISSA-N 1 1 309.370 -1.345 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108916901 776319724 /nfs/dbraw/zinc/31/97/24/776319724.db2.gz OWUZGMXCGRGBAP-RCWTZXSCSA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108916901 776319732 /nfs/dbraw/zinc/31/97/32/776319732.db2.gz OWUZGMXCGRGBAP-RCWTZXSCSA-N 1 1 309.370 -1.393 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108912831 776320077 /nfs/dbraw/zinc/32/00/77/776320077.db2.gz BGDXDZLHYCIXFQ-ZNSHCXBVSA-N 1 1 300.359 -1.617 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001108913857 776320743 /nfs/dbraw/zinc/32/07/43/776320743.db2.gz XQJRIPDBSRMGKI-RCWTZXSCSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001108913857 776320754 /nfs/dbraw/zinc/32/07/54/776320754.db2.gz XQJRIPDBSRMGKI-RCWTZXSCSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c2[nH+]ccn2c1 ZINC001169975595 776323365 /nfs/dbraw/zinc/32/33/65/776323365.db2.gz IYMGLGIOUWGMBM-SKENRDBWSA-N 1 1 309.322 -1.145 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109111582 776326425 /nfs/dbraw/zinc/32/64/25/776326425.db2.gz GUTOJKIMIZHGLQ-VWYCJHECSA-N 1 1 322.365 -1.268 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109106615 776326740 /nfs/dbraw/zinc/32/67/40/776326740.db2.gz WUFQAXOBNIPJDQ-XFWSIPNHSA-N 1 1 308.338 -1.612 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109106615 776326747 /nfs/dbraw/zinc/32/67/47/776326747.db2.gz WUFQAXOBNIPJDQ-XFWSIPNHSA-N 1 1 308.338 -1.612 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109197134 776329210 /nfs/dbraw/zinc/32/92/10/776329210.db2.gz MLFQFYLSJXQFQZ-USZNOCQGSA-N 1 1 314.386 -1.226 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100129357 776332837 /nfs/dbraw/zinc/33/28/37/776332837.db2.gz LCVANYBIXZNVTO-MNOVXSKESA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100129357 776332844 /nfs/dbraw/zinc/33/28/44/776332844.db2.gz LCVANYBIXZNVTO-MNOVXSKESA-N 1 1 308.400 -1.645 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109365668 776333858 /nfs/dbraw/zinc/33/38/58/776333858.db2.gz XENPBUAQZUVFKV-VWYCJHECSA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387159 776334007 /nfs/dbraw/zinc/33/40/07/776334007.db2.gz SSUDGLDXLKVBMS-GFCCVEGCSA-N 1 1 320.401 -1.152 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC ZINC001109375875 776335218 /nfs/dbraw/zinc/33/52/18/776335218.db2.gz LJXPPSRLHORVAY-ZNSHCXBVSA-N 1 1 311.386 -1.229 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC ZINC001109375875 776335225 /nfs/dbraw/zinc/33/52/25/776335225.db2.gz LJXPPSRLHORVAY-ZNSHCXBVSA-N 1 1 311.386 -1.229 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109374734 776336035 /nfs/dbraw/zinc/33/60/35/776336035.db2.gz WRSWHGOMJPTSTM-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109374734 776336044 /nfs/dbraw/zinc/33/60/44/776336044.db2.gz WRSWHGOMJPTSTM-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC001090426098 776336379 /nfs/dbraw/zinc/33/63/79/776336379.db2.gz USVQMKKLDLCTIP-QWRGUYRKSA-N 1 1 320.353 -1.100 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109563918 776337290 /nfs/dbraw/zinc/33/72/90/776337290.db2.gz AVFXBIKLRGGRIE-UTLUCORTSA-N 1 1 308.379 -1.269 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109563918 776337302 /nfs/dbraw/zinc/33/73/02/776337302.db2.gz AVFXBIKLRGGRIE-UTLUCORTSA-N 1 1 308.379 -1.269 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001109556175 776338077 /nfs/dbraw/zinc/33/80/77/776338077.db2.gz QZQVVYDMVGMTHZ-WOPDTQHZSA-N 1 1 309.370 -1.314 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CNC(=O)N1 ZINC001109652669 776339006 /nfs/dbraw/zinc/33/90/06/776339006.db2.gz DRXGYDDJHQJRQL-RHYQMDGZSA-N 1 1 312.370 -1.602 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659799 776340334 /nfs/dbraw/zinc/34/03/34/776340334.db2.gz GLBASAFUJQDEHW-RHYQMDGZSA-N 1 1 311.382 -1.019 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656121 776340748 /nfs/dbraw/zinc/34/07/48/776340748.db2.gz DNSUBILADPUNAO-VWYCJHECSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656121 776340753 /nfs/dbraw/zinc/34/07/53/776340753.db2.gz DNSUBILADPUNAO-VWYCJHECSA-N 1 1 311.386 -1.099 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109772423 776341952 /nfs/dbraw/zinc/34/19/52/776341952.db2.gz LWGFLBFODABZOE-VWYCJHECSA-N 1 1 320.415 -1.904 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109721419 776342025 /nfs/dbraw/zinc/34/20/25/776342025.db2.gz CNNPTEVCACSJOJ-BNDIWNMDSA-N 1 1 311.382 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881171 776343015 /nfs/dbraw/zinc/34/30/15/776343015.db2.gz FXPKDPGLDMGUAQ-NDBYEHHHSA-N 1 1 324.385 -1.208 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC001090430132 776344533 /nfs/dbraw/zinc/34/45/33/776344533.db2.gz JJOFSRCVFTVXQN-VXGBXAGGSA-N 1 1 320.353 -1.328 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100133617 776344632 /nfs/dbraw/zinc/34/46/32/776344632.db2.gz CVEYCDOVPFKIJF-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100133617 776344641 /nfs/dbraw/zinc/34/46/41/776344641.db2.gz CVEYCDOVPFKIJF-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001110049849 776345291 /nfs/dbraw/zinc/34/52/91/776345291.db2.gz AKQMNQWFNBCBJF-WYUUTHIRSA-N 1 1 319.427 -1.020 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431669 776345940 /nfs/dbraw/zinc/34/59/40/776345940.db2.gz BCBJMQIZLNGCAI-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434120 776346178 /nfs/dbraw/zinc/34/61/78/776346178.db2.gz VIRVDQRQLGTNTA-RYUDHWBXSA-N 1 1 309.370 -1.511 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001086533155 776346638 /nfs/dbraw/zinc/34/66/38/776346638.db2.gz ZMZRNGMEVJQAPK-GUBZILKMSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001086533155 776346648 /nfs/dbraw/zinc/34/66/48/776346648.db2.gz ZMZRNGMEVJQAPK-GUBZILKMSA-N 1 1 306.370 -1.121 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100135851 776346715 /nfs/dbraw/zinc/34/67/15/776346715.db2.gz CZFGSRGJRBZMMO-GHMZBOCLSA-N 1 1 314.342 -1.448 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100135882 776347260 /nfs/dbraw/zinc/34/72/60/776347260.db2.gz DFIFZSROXNYRJX-STQMWFEESA-N 1 1 312.370 -1.557 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001090430967 776347501 /nfs/dbraw/zinc/34/75/01/776347501.db2.gz ROCBEPWIZTYAKH-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079369 776347916 /nfs/dbraw/zinc/34/79/16/776347916.db2.gz BJKSTTTXVJZYAL-WYUUTHIRSA-N 1 1 314.386 -1.226 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110077224 776348579 /nfs/dbraw/zinc/34/85/79/776348579.db2.gz LYPBHAQWBMKUOS-ZNSHCXBVSA-N 1 1 310.354 -1.312 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001086536692 776349523 /nfs/dbraw/zinc/34/95/23/776349523.db2.gz SYKDLVRSCBPXJY-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001090440385 776350081 /nfs/dbraw/zinc/35/00/81/776350081.db2.gz CSJJUFURALYXDQ-CMPLNLGQSA-N 1 1 310.354 -1.408 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](CCCO[C@@H]2CCOC2)CC1 ZINC001112607393 776351705 /nfs/dbraw/zinc/35/17/05/776351705.db2.gz NKPPYLOFBNPCJC-GFCCVEGCSA-N 1 1 314.386 -1.006 20 0 DAADMO CC(C)COC[C@H](O)C[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001112607237 776351849 /nfs/dbraw/zinc/35/18/49/776351849.db2.gz HWTXUQOJIBHOQP-GFCCVEGCSA-N 1 1 316.402 -1.168 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100142844 776365253 /nfs/dbraw/zinc/36/52/53/776365253.db2.gz JGWGGOWQAGTWNF-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO CCN(C)C(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112742256 776367063 /nfs/dbraw/zinc/36/70/63/776367063.db2.gz XBIFOYAXPBHUFM-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN(C)C(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112742256 776367072 /nfs/dbraw/zinc/36/70/72/776367072.db2.gz XBIFOYAXPBHUFM-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112791644 776374889 /nfs/dbraw/zinc/37/48/89/776374889.db2.gz UITCXXIZCKVXJQ-LBPRGKRZSA-N 1 1 309.370 -1.476 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)ncc1=O ZINC001090444141 776381300 /nfs/dbraw/zinc/38/13/00/776381300.db2.gz DIQGTURXLBHVLP-JQWIXIFHSA-N 1 1 310.354 -1.672 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001112969479 776386915 /nfs/dbraw/zinc/38/69/15/776386915.db2.gz JHJMIKANWVPRSF-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO COC[C@H](O)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007356 776388328 /nfs/dbraw/zinc/38/83/28/776388328.db2.gz PXGGFERAWCCLIT-MGPQQGTHSA-N 1 1 315.414 -1.143 20 0 DAADMO COC[C@H](O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007356 776388337 /nfs/dbraw/zinc/38/83/37/776388337.db2.gz PXGGFERAWCCLIT-MGPQQGTHSA-N 1 1 315.414 -1.143 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001098463082 776388439 /nfs/dbraw/zinc/38/84/39/776388439.db2.gz AXRPXHNDBORNSC-PWSUYJOCSA-N 1 1 314.386 -1.666 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098463293 776389615 /nfs/dbraw/zinc/38/96/15/776389615.db2.gz IRVFSORRIKGNAZ-NSHDSACASA-N 1 1 302.350 -1.077 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001113046831 776390224 /nfs/dbraw/zinc/39/02/24/776390224.db2.gz LXLCSPQHKQIZAB-NSHDSACASA-N 1 1 313.358 -2.267 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001113064909 776390311 /nfs/dbraw/zinc/39/03/11/776390311.db2.gz RSOLKJVPWQQFRU-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113050463 776390535 /nfs/dbraw/zinc/39/05/35/776390535.db2.gz NGBOVPOASUGKGM-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001113046830 776390748 /nfs/dbraw/zinc/39/07/48/776390748.db2.gz LXLCSPQHKQIZAB-LLVKDONJSA-N 1 1 313.358 -2.267 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 ZINC001113071486 776391516 /nfs/dbraw/zinc/39/15/16/776391516.db2.gz BEEUPCBCCBLGPQ-GFCCVEGCSA-N 1 1 324.381 -1.111 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001115013764 776392240 /nfs/dbraw/zinc/39/22/40/776392240.db2.gz SMZMQIDXAPCUSL-YABSGUDNSA-N 1 1 319.369 -1.658 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113067427 776392798 /nfs/dbraw/zinc/39/27/98/776392798.db2.gz GSTZCXQYGHGNSF-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CCn1cc(CC(=O)N2CC[NH+](C[C@@H](O)COC)CC2)nn1 ZINC001113133874 776393850 /nfs/dbraw/zinc/39/38/50/776393850.db2.gz FVJHSXNEEXONJD-CYBMUJFWSA-N 1 1 311.386 -1.008 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001100147470 776394409 /nfs/dbraw/zinc/39/44/09/776394409.db2.gz OALPMWXQNPVVGR-QWHCGFSZSA-N 1 1 311.386 -1.319 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](CC[C@H](C)F)CC1 ZINC001113156739 776395921 /nfs/dbraw/zinc/39/59/21/776395921.db2.gz VZTINJOQYHZKPQ-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001113184493 776397350 /nfs/dbraw/zinc/39/73/50/776397350.db2.gz JKQSKNWULFEVGH-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001113190542 776397842 /nfs/dbraw/zinc/39/78/42/776397842.db2.gz OTXTYQNLEZYSHG-WDEREUQCSA-N 1 1 300.359 -1.839 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)COc2cnn(C)c2)CC1 ZINC001113260379 776398639 /nfs/dbraw/zinc/39/86/39/776398639.db2.gz AVFWEBSMEBDVPT-LBPRGKRZSA-N 1 1 312.370 -1.050 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCCCN1C(=O)CNC(N)=O ZINC001157522528 776401710 /nfs/dbraw/zinc/40/17/10/776401710.db2.gz NQCWVMXLVSDVTG-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO Cn1cc(CC[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)cn1 ZINC001098465493 776402449 /nfs/dbraw/zinc/40/24/49/776402449.db2.gz SEEJHTUOVGPGNB-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098465535 776402746 /nfs/dbraw/zinc/40/27/46/776402746.db2.gz UXEDVCLFLMHLTJ-UHFFFAOYSA-N 1 1 303.359 -2.234 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)co1 ZINC001090450156 776403057 /nfs/dbraw/zinc/40/30/57/776403057.db2.gz UIVAFSWRYLLZQJ-QWRGUYRKSA-N 1 1 311.338 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC001115016054 776404231 /nfs/dbraw/zinc/40/42/31/776404231.db2.gz OLKSSSPQHNMWNX-GOMXZESMSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC001115016054 776404238 /nfs/dbraw/zinc/40/42/38/776404238.db2.gz OLKSSSPQHNMWNX-GOMXZESMSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001113346330 776404455 /nfs/dbraw/zinc/40/44/55/776404455.db2.gz VXQUOOOWUQJZKV-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113391664 776405269 /nfs/dbraw/zinc/40/52/69/776405269.db2.gz NGGQRLJQSLNWSU-UHFFFAOYSA-N 1 1 308.404 -2.091 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001113406934 776405444 /nfs/dbraw/zinc/40/54/44/776405444.db2.gz FSMCKKRRIKWNBJ-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001113386695 776405741 /nfs/dbraw/zinc/40/57/41/776405741.db2.gz QKUKOQFXFMZQSI-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001113385071 776406100 /nfs/dbraw/zinc/40/61/00/776406100.db2.gz XWPVYHYTWLKDKS-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](CCCF)CC1)C(N)=O ZINC001113404897 776406183 /nfs/dbraw/zinc/40/61/83/776406183.db2.gz LZENXTFUTSQDQG-NSHDSACASA-N 1 1 302.350 -1.130 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001113427280 776407409 /nfs/dbraw/zinc/40/74/09/776407409.db2.gz KYNMUAMPABWHLL-LLVKDONJSA-N 1 1 313.354 -1.809 20 0 DAADMO CNC(=O)CN(CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466642 776408767 /nfs/dbraw/zinc/40/87/67/776408767.db2.gz PZEKVIWAPXCTCT-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001113536040 776412181 /nfs/dbraw/zinc/41/21/81/776412181.db2.gz BGBCFCFZBJMQAZ-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001113566603 776412959 /nfs/dbraw/zinc/41/29/59/776412959.db2.gz LKJWEWKQUVBZDJ-CYBMUJFWSA-N 1 1 324.381 -1.297 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001113608924 776413687 /nfs/dbraw/zinc/41/36/87/776413687.db2.gz SDFNQGDIUMAGGZ-LLVKDONJSA-N 1 1 310.354 -1.455 20 0 DAADMO NC(=O)NC(=O)CN1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001113587789 776414468 /nfs/dbraw/zinc/41/44/68/776414468.db2.gz KNJPQPHQDAXBLT-HNNXBMFYSA-N 1 1 323.397 -1.189 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001113618986 776415373 /nfs/dbraw/zinc/41/53/73/776415373.db2.gz CNIIQQBMEQMVPF-ZDUSSCGKSA-N 1 1 309.366 -1.000 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113631667 776416108 /nfs/dbraw/zinc/41/61/08/776416108.db2.gz FKNRPPKZBYDURZ-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115017774 776416143 /nfs/dbraw/zinc/41/61/43/776416143.db2.gz FNLXDSJPNNXQQD-PJXYFTJBSA-N 1 1 310.358 -1.882 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(CCNS(C)(=O)=O)CC2)C1 ZINC001113629583 776416568 /nfs/dbraw/zinc/41/65/68/776416568.db2.gz OUIIMTGLDOSTRP-GFCCVEGCSA-N 1 1 318.443 -1.369 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017717 776416609 /nfs/dbraw/zinc/41/66/09/776416609.db2.gz DPPACTPUIJRSCJ-SVDPJWKOSA-N 1 1 307.358 -1.756 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC001113642755 776416631 /nfs/dbraw/zinc/41/66/31/776416631.db2.gz IKIVTLWNYFNOKQ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113634729 776416641 /nfs/dbraw/zinc/41/66/41/776416641.db2.gz RVTYSOBGOFPEAF-UHFFFAOYSA-N 1 1 308.342 -1.469 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113631669 776416654 /nfs/dbraw/zinc/41/66/54/776416654.db2.gz FKNRPPKZBYDURZ-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679146 776417454 /nfs/dbraw/zinc/41/74/54/776417454.db2.gz DRNSMHWCYVIZGI-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001113637340 776417771 /nfs/dbraw/zinc/41/77/71/776417771.db2.gz PHWOBINONVOFKN-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001113681060 776419216 /nfs/dbraw/zinc/41/92/16/776419216.db2.gz CGHNYSJIZMQFRX-UHFFFAOYSA-N 1 1 310.358 -1.442 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001113758444 776421745 /nfs/dbraw/zinc/42/17/45/776421745.db2.gz RTLIWNMALXHUGX-FJJYHAOUSA-N 1 1 311.382 -1.168 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001113758444 776421750 /nfs/dbraw/zinc/42/17/50/776421750.db2.gz RTLIWNMALXHUGX-FJJYHAOUSA-N 1 1 311.382 -1.168 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001113743335 776421840 /nfs/dbraw/zinc/42/18/40/776421840.db2.gz HODMNGGTVNQYPR-GHMZBOCLSA-N 1 1 313.354 -1.809 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113748715 776422252 /nfs/dbraw/zinc/42/22/52/776422252.db2.gz CXQRQSWLFFDRFM-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113748715 776422257 /nfs/dbraw/zinc/42/22/57/776422257.db2.gz CXQRQSWLFFDRFM-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113793555 776423102 /nfs/dbraw/zinc/42/31/02/776423102.db2.gz MNMNWYITAWHVEU-WGNDUZGJSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113793555 776423109 /nfs/dbraw/zinc/42/31/09/776423109.db2.gz MNMNWYITAWHVEU-WGNDUZGJSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001113793322 776423178 /nfs/dbraw/zinc/42/31/78/776423178.db2.gz IWSFNGNUKDZBRS-RMRHIDDWSA-N 1 1 321.381 -1.574 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113773105 776423252 /nfs/dbraw/zinc/42/32/52/776423252.db2.gz UREVSCQHDCYBED-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113773105 776423258 /nfs/dbraw/zinc/42/32/58/776423258.db2.gz UREVSCQHDCYBED-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791304 776423989 /nfs/dbraw/zinc/42/39/89/776423989.db2.gz RHHQMCZXHMGVGR-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791304 776423993 /nfs/dbraw/zinc/42/39/93/776423993.db2.gz RHHQMCZXHMGVGR-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113805735 776424817 /nfs/dbraw/zinc/42/48/17/776424817.db2.gz HPORYPAWOUAEEZ-REIXXSIJSA-N 1 1 324.337 -1.496 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113805735 776424823 /nfs/dbraw/zinc/42/48/23/776424823.db2.gz HPORYPAWOUAEEZ-REIXXSIJSA-N 1 1 324.337 -1.496 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113807409 776425028 /nfs/dbraw/zinc/42/50/28/776425028.db2.gz VGYFTCPGTVBBAA-VROVMSAKSA-N 1 1 310.310 -1.884 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113807409 776425030 /nfs/dbraw/zinc/42/50/30/776425030.db2.gz VGYFTCPGTVBBAA-VROVMSAKSA-N 1 1 310.310 -1.884 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113809690 776425159 /nfs/dbraw/zinc/42/51/59/776425159.db2.gz MSVNQDGQXQUQGI-IIDWOEFGSA-N 1 1 320.309 -1.963 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113809690 776425164 /nfs/dbraw/zinc/42/51/64/776425164.db2.gz MSVNQDGQXQUQGI-IIDWOEFGSA-N 1 1 320.309 -1.963 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 ZINC001113805486 776425178 /nfs/dbraw/zinc/42/51/78/776425178.db2.gz DZQNSYZRDTZNBX-IGQOVBAYSA-N 1 1 307.350 -1.013 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113822117 776426178 /nfs/dbraw/zinc/42/61/78/776426178.db2.gz KMUKCFUWFQVODC-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113822117 776426183 /nfs/dbraw/zinc/42/61/83/776426183.db2.gz KMUKCFUWFQVODC-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001113825425 776426207 /nfs/dbraw/zinc/42/62/07/776426207.db2.gz MWPHKNLLHWWDMK-FTYKPCCVSA-N 1 1 323.397 -1.417 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001113824725 776426241 /nfs/dbraw/zinc/42/62/41/776426241.db2.gz AXSUCFFQRKFHFR-FTYKPCCVSA-N 1 1 306.370 -1.151 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)no1 ZINC001113819131 776426420 /nfs/dbraw/zinc/42/64/20/776426420.db2.gz MZUHYIJYBXGBMW-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)no1 ZINC001113819131 776426424 /nfs/dbraw/zinc/42/64/24/776426424.db2.gz MZUHYIJYBXGBMW-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001113833752 776428689 /nfs/dbraw/zinc/42/86/89/776428689.db2.gz JEFCNVTWJJVXHD-PJXYFTJBSA-N 1 1 319.369 -1.754 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834519 776428984 /nfs/dbraw/zinc/42/89/84/776428984.db2.gz WORWBJXFKSGRTQ-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834519 776428990 /nfs/dbraw/zinc/42/89/90/776428990.db2.gz WORWBJXFKSGRTQ-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834382 776429031 /nfs/dbraw/zinc/42/90/31/776429031.db2.gz UMXOTAGMFFMFDR-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834382 776429038 /nfs/dbraw/zinc/42/90/38/776429038.db2.gz UMXOTAGMFFMFDR-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO CCN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113841916 776430222 /nfs/dbraw/zinc/43/02/22/776430222.db2.gz JRIBOIWVNWKCCA-YABSGUDNSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001113842105 776430705 /nfs/dbraw/zinc/43/07/05/776430705.db2.gz MTZHCVOPDRBPTO-DCQANWLSSA-N 1 1 322.369 -2.041 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848536 776431357 /nfs/dbraw/zinc/43/13/57/776431357.db2.gz CSEQDZZAKAQTHX-IAZYJMLFSA-N 1 1 307.358 -1.487 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848536 776431360 /nfs/dbraw/zinc/43/13/60/776431360.db2.gz CSEQDZZAKAQTHX-IAZYJMLFSA-N 1 1 307.358 -1.487 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)on1 ZINC001113853227 776431460 /nfs/dbraw/zinc/43/14/60/776431460.db2.gz YJKMJKWQFNJMIH-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)on1 ZINC001113853227 776431462 /nfs/dbraw/zinc/43/14/62/776431462.db2.gz YJKMJKWQFNJMIH-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842758 776431493 /nfs/dbraw/zinc/43/14/93/776431493.db2.gz ZALXPDAZHHOFHU-SVDPJWKOSA-N 1 1 311.386 -1.384 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113842725 776431562 /nfs/dbraw/zinc/43/15/62/776431562.db2.gz YIQZDCKMSWFKKU-HJUHTLPRSA-N 1 1 323.397 -1.384 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113842725 776431566 /nfs/dbraw/zinc/43/15/66/776431566.db2.gz YIQZDCKMSWFKKU-HJUHTLPRSA-N 1 1 323.397 -1.384 20 0 DAADMO COc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113852507 776431622 /nfs/dbraw/zinc/43/16/22/776431622.db2.gz LOYXZOXPWCPNKH-IWIIMEHWSA-N 1 1 320.353 -1.300 20 0 DAADMO COc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113852507 776431625 /nfs/dbraw/zinc/43/16/25/776431625.db2.gz LOYXZOXPWCPNKH-IWIIMEHWSA-N 1 1 320.353 -1.300 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849872 776432692 /nfs/dbraw/zinc/43/26/92/776432692.db2.gz NTGUYRFHUDPLCD-MTBHXBHISA-N 1 1 312.330 -2.843 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849872 776432695 /nfs/dbraw/zinc/43/26/95/776432695.db2.gz NTGUYRFHUDPLCD-MTBHXBHISA-N 1 1 312.330 -2.843 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113860894 776433807 /nfs/dbraw/zinc/43/38/07/776433807.db2.gz RDYNPOYLWWXBLR-GDGBQDQQSA-N 1 1 305.338 -1.120 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113860894 776433814 /nfs/dbraw/zinc/43/38/14/776433814.db2.gz RDYNPOYLWWXBLR-GDGBQDQQSA-N 1 1 305.338 -1.120 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113871676 776434349 /nfs/dbraw/zinc/43/43/49/776434349.db2.gz ZRMYXUAXEPCGOI-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113871676 776434355 /nfs/dbraw/zinc/43/43/55/776434355.db2.gz ZRMYXUAXEPCGOI-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113871576 776434823 /nfs/dbraw/zinc/43/48/23/776434823.db2.gz XYUNLUQBONGBGS-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113899993 776435558 /nfs/dbraw/zinc/43/55/58/776435558.db2.gz YJFCRTZBQHYJQJ-JYAVWHMHSA-N 1 1 308.382 -1.257 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)=O ZINC001113899723 776435599 /nfs/dbraw/zinc/43/55/99/776435599.db2.gz SKVCCBOOKCCRDT-JYAVWHMHSA-N 1 1 310.398 -1.011 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113926046 776436962 /nfs/dbraw/zinc/43/69/62/776436962.db2.gz UIGKMJUDFKERTR-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113926046 776436967 /nfs/dbraw/zinc/43/69/67/776436967.db2.gz UIGKMJUDFKERTR-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113924510 776437041 /nfs/dbraw/zinc/43/70/41/776437041.db2.gz GTFWLWJBLGDJJU-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113924510 776437048 /nfs/dbraw/zinc/43/70/48/776437048.db2.gz GTFWLWJBLGDJJU-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113941044 776437465 /nfs/dbraw/zinc/43/74/65/776437465.db2.gz ZQKXNTNGEQIJNE-MVVXRAEJSA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001113937685 776437598 /nfs/dbraw/zinc/43/75/98/776437598.db2.gz JWBNRYGWQBROOE-SRRSOLGSSA-N 1 1 306.366 -1.553 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113933375 776437628 /nfs/dbraw/zinc/43/76/28/776437628.db2.gz ZMWICMJDJSTWIN-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113933375 776437634 /nfs/dbraw/zinc/43/76/34/776437634.db2.gz ZMWICMJDJSTWIN-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113939004 776437967 /nfs/dbraw/zinc/43/79/67/776437967.db2.gz XIYZLIZBJHHPAI-CZXHOFHRSA-N 1 1 320.393 -1.162 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113919954 776438169 /nfs/dbraw/zinc/43/81/69/776438169.db2.gz OUXSDIFGUBHRJE-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113919954 776438175 /nfs/dbraw/zinc/43/81/75/776438175.db2.gz OUXSDIFGUBHRJE-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113939006 776438189 /nfs/dbraw/zinc/43/81/89/776438189.db2.gz XIYZLIZBJHHPAI-KZVDOYCCSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)C2CC2)C1=O ZINC001113940031 776438209 /nfs/dbraw/zinc/43/82/09/776438209.db2.gz MCIGRDWMKFRPCN-KZVDOYCCSA-N 1 1 320.393 -1.210 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001113946108 776438989 /nfs/dbraw/zinc/43/89/89/776438989.db2.gz ZWBLXIOZNOVTAD-IAZYJMLFSA-N 1 1 308.342 -1.283 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001113946108 776438996 /nfs/dbraw/zinc/43/89/96/776438996.db2.gz ZWBLXIOZNOVTAD-IAZYJMLFSA-N 1 1 308.342 -1.283 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113946025 776439285 /nfs/dbraw/zinc/43/92/85/776439285.db2.gz YSJPKBWGKYXEFS-UXCLJVHYSA-N 1 1 301.343 -1.604 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001113968204 776439825 /nfs/dbraw/zinc/43/98/25/776439825.db2.gz FZPBVDNXBUSFNM-FJJYHAOUSA-N 1 1 313.398 -1.044 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113963079 776439855 /nfs/dbraw/zinc/43/98/55/776439855.db2.gz RJHGQFWMGCWEET-UKKRHICBSA-N 1 1 305.400 -1.383 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113963079 776439859 /nfs/dbraw/zinc/43/98/59/776439859.db2.gz RJHGQFWMGCWEET-UKKRHICBSA-N 1 1 305.400 -1.383 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973844 776439995 /nfs/dbraw/zinc/43/99/95/776439995.db2.gz LITCGXKCYZFVSU-UXCLJVHYSA-N 1 1 306.384 -1.915 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973844 776439999 /nfs/dbraw/zinc/43/99/99/776439999.db2.gz LITCGXKCYZFVSU-UXCLJVHYSA-N 1 1 306.384 -1.915 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113952286 776440109 /nfs/dbraw/zinc/44/01/09/776440109.db2.gz BMZCZGNVIYMWMM-KZWBYHQPSA-N 1 1 324.381 -1.974 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113952286 776440112 /nfs/dbraw/zinc/44/01/12/776440112.db2.gz BMZCZGNVIYMWMM-KZWBYHQPSA-N 1 1 324.381 -1.974 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001113959410 776440161 /nfs/dbraw/zinc/44/01/61/776440161.db2.gz JHRSSLJOHJVUBB-PJXYFTJBSA-N 1 1 312.395 -1.026 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001113959410 776440178 /nfs/dbraw/zinc/44/01/78/776440178.db2.gz JHRSSLJOHJVUBB-PJXYFTJBSA-N 1 1 312.395 -1.026 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001113952365 776440385 /nfs/dbraw/zinc/44/03/85/776440385.db2.gz COPOUHNNMZKCJR-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001113952365 776440390 /nfs/dbraw/zinc/44/03/90/776440390.db2.gz COPOUHNNMZKCJR-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113948253 776440430 /nfs/dbraw/zinc/44/04/30/776440430.db2.gz OSOCLCJDTQOESS-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113948253 776440438 /nfs/dbraw/zinc/44/04/38/776440438.db2.gz OSOCLCJDTQOESS-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001113973766 776440537 /nfs/dbraw/zinc/44/05/37/776440537.db2.gz JXFGEGXLJJZLFM-QCBRBAQYSA-N 1 1 301.368 -2.034 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001113973766 776440545 /nfs/dbraw/zinc/44/05/45/776440545.db2.gz JXFGEGXLJJZLFM-QCBRBAQYSA-N 1 1 301.368 -2.034 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113976231 776442130 /nfs/dbraw/zinc/44/21/30/776442130.db2.gz DGDLJLDUBQMKSQ-WYUUTHIRSA-N 1 1 317.411 -1.382 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113976231 776442134 /nfs/dbraw/zinc/44/21/34/776442134.db2.gz DGDLJLDUBQMKSQ-WYUUTHIRSA-N 1 1 317.411 -1.382 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC001114012969 776442170 /nfs/dbraw/zinc/44/21/70/776442170.db2.gz ONIMSHXGSAHECS-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC001114012969 776442174 /nfs/dbraw/zinc/44/21/74/776442174.db2.gz ONIMSHXGSAHECS-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114026936 776443042 /nfs/dbraw/zinc/44/30/42/776443042.db2.gz DMLCVAWQMMQEPB-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114026936 776443046 /nfs/dbraw/zinc/44/30/46/776443046.db2.gz DMLCVAWQMMQEPB-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114042138 776443060 /nfs/dbraw/zinc/44/30/60/776443060.db2.gz XAXMAACWUSERMA-MEWQQHAOSA-N 1 1 324.381 -1.133 20 0 DAADMO CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114030331 776443301 /nfs/dbraw/zinc/44/33/01/776443301.db2.gz BWJFBNJHFANEFN-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114030331 776443306 /nfs/dbraw/zinc/44/33/06/776443306.db2.gz BWJFBNJHFANEFN-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114044561 776443423 /nfs/dbraw/zinc/44/34/23/776443423.db2.gz JRVCDNBUWHZSPQ-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114044561 776443425 /nfs/dbraw/zinc/44/34/25/776443425.db2.gz JRVCDNBUWHZSPQ-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114034908 776443497 /nfs/dbraw/zinc/44/34/97/776443497.db2.gz NUNYZDCORAOUCR-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114035291 776443528 /nfs/dbraw/zinc/44/35/28/776443528.db2.gz UYTUKQDJDCOBLD-FJJYHAOUSA-N 1 1 313.398 -1.044 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114033843 776443594 /nfs/dbraw/zinc/44/35/94/776443594.db2.gz CFPFMOWKFJQEEG-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114033843 776443597 /nfs/dbraw/zinc/44/35/97/776443597.db2.gz CFPFMOWKFJQEEG-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041103 776444695 /nfs/dbraw/zinc/44/46/95/776444695.db2.gz GPZKSKYRRTVVCT-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114041789 776444780 /nfs/dbraw/zinc/44/47/80/776444780.db2.gz QPKCZZAVUPTOQF-CNABLZDZSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114041789 776444783 /nfs/dbraw/zinc/44/47/83/776444783.db2.gz QPKCZZAVUPTOQF-CNABLZDZSA-N 1 1 320.353 -1.038 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114060654 776445812 /nfs/dbraw/zinc/44/58/12/776445812.db2.gz NCKLPOVWDGREDU-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114062043 776446127 /nfs/dbraw/zinc/44/61/27/776446127.db2.gz YHIXVWDVNPECKW-PUXPGTEJSA-N 1 1 322.365 -1.636 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114091097 776446866 /nfs/dbraw/zinc/44/68/66/776446866.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114091097 776446873 /nfs/dbraw/zinc/44/68/73/776446873.db2.gz QJIWABLXGSUQKG-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114090979 776446910 /nfs/dbraw/zinc/44/69/10/776446910.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114090979 776446914 /nfs/dbraw/zinc/44/69/14/776446914.db2.gz NNQCPQQSPYDGBP-COMQUAJESA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114090981 776446951 /nfs/dbraw/zinc/44/69/51/776446951.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114090981 776446954 /nfs/dbraw/zinc/44/69/54/776446954.db2.gz NNQCPQQSPYDGBP-SFDCQRBFSA-N 1 1 324.425 -1.112 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001114086485 776447349 /nfs/dbraw/zinc/44/73/49/776447349.db2.gz XIMVPJDJCIOPQQ-KZWBYHQPSA-N 1 1 307.354 -1.834 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC001114088221 776447838 /nfs/dbraw/zinc/44/78/38/776447838.db2.gz KOORSJVIVZGCNE-PUHVVEEASA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC001114088221 776447845 /nfs/dbraw/zinc/44/78/45/776447845.db2.gz KOORSJVIVZGCNE-PUHVVEEASA-N 1 1 324.381 -1.085 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001114097987 776448003 /nfs/dbraw/zinc/44/80/03/776448003.db2.gz BOLOMOFOVBOWJJ-KIGUWFBYSA-N 1 1 308.382 -1.176 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098502 776448199 /nfs/dbraw/zinc/44/81/99/776448199.db2.gz HCOBEBUTSJOQNH-IWIIMEHWSA-N 1 1 317.411 -1.267 20 0 DAADMO CCS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098502 776448204 /nfs/dbraw/zinc/44/82/04/776448204.db2.gz HCOBEBUTSJOQNH-IWIIMEHWSA-N 1 1 317.411 -1.267 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001114099450 776448214 /nfs/dbraw/zinc/44/82/14/776448214.db2.gz XEXSRJIHQBHREY-QISWUMQESA-N 1 1 315.395 -1.657 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001114099450 776448218 /nfs/dbraw/zinc/44/82/18/776448218.db2.gz XEXSRJIHQBHREY-QISWUMQESA-N 1 1 315.395 -1.657 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100815 776449052 /nfs/dbraw/zinc/44/90/52/776449052.db2.gz DYPFCSKDOKKFIC-FJJYHAOUSA-N 1 1 313.398 -1.058 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001114093284 776449073 /nfs/dbraw/zinc/44/90/73/776449073.db2.gz MFMFLMHMCQJAGS-HBYGRHMLSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114120600 776450554 /nfs/dbraw/zinc/45/05/54/776450554.db2.gz UURAUNDWGXBOAB-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114120600 776450556 /nfs/dbraw/zinc/45/05/56/776450556.db2.gz UURAUNDWGXBOAB-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114120600 776450559 /nfs/dbraw/zinc/45/05/59/776450559.db2.gz UURAUNDWGXBOAB-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120751 776450587 /nfs/dbraw/zinc/45/05/87/776450587.db2.gz WUQDZOCUWSUIOC-QISWUMQESA-N 1 1 306.370 -1.082 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114094228 776450667 /nfs/dbraw/zinc/45/06/67/776450667.db2.gz ZBJXZZTWEJOFLX-QAHWYCSRSA-N 1 1 321.337 -1.153 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114094228 776450671 /nfs/dbraw/zinc/45/06/71/776450671.db2.gz ZBJXZZTWEJOFLX-QAHWYCSRSA-N 1 1 321.337 -1.153 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114146823 776451760 /nfs/dbraw/zinc/45/17/60/776451760.db2.gz JEEGBTVJPIJDAF-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114146823 776451762 /nfs/dbraw/zinc/45/17/62/776451762.db2.gz JEEGBTVJPIJDAF-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114139311 776451900 /nfs/dbraw/zinc/45/19/00/776451900.db2.gz LTFYVGBDBKXTCV-FJJYHAOUSA-N 1 1 312.366 -1.005 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 ZINC001114140474 776451920 /nfs/dbraw/zinc/45/19/20/776451920.db2.gz GULGBQSBTUYQDV-MIZYBKAJSA-N 1 1 310.354 -1.203 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 ZINC001114140474 776451923 /nfs/dbraw/zinc/45/19/23/776451923.db2.gz GULGBQSBTUYQDV-MIZYBKAJSA-N 1 1 310.354 -1.203 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)n1cncn1 ZINC001114147231 776451956 /nfs/dbraw/zinc/45/19/56/776451956.db2.gz SRLPQXMKNMGAJU-REIXXSIJSA-N 1 1 321.341 -1.920 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)n1cncn1 ZINC001114147231 776451959 /nfs/dbraw/zinc/45/19/59/776451959.db2.gz SRLPQXMKNMGAJU-REIXXSIJSA-N 1 1 321.341 -1.920 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1COC(=O)C1 ZINC001114139787 776451986 /nfs/dbraw/zinc/45/19/86/776451986.db2.gz VFVCEZCYFIMEGO-NMSKTSORSA-N 1 1 324.337 -1.819 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1COC(=O)C1 ZINC001114139787 776451988 /nfs/dbraw/zinc/45/19/88/776451988.db2.gz VFVCEZCYFIMEGO-NMSKTSORSA-N 1 1 324.337 -1.819 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114146825 776451999 /nfs/dbraw/zinc/45/19/99/776451999.db2.gz JEEGBTVJPIJDAF-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114146825 776452004 /nfs/dbraw/zinc/45/20/04/776452004.db2.gz JEEGBTVJPIJDAF-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)n1cncn1 ZINC001114146529 776452764 /nfs/dbraw/zinc/45/27/64/776452764.db2.gz BKVUKNIPODRALM-NDBYEHHHSA-N 1 1 309.370 -1.106 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114169268 776455670 /nfs/dbraw/zinc/45/56/70/776455670.db2.gz CBRKORXTTVFTTD-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114173847 776456296 /nfs/dbraw/zinc/45/62/96/776456296.db2.gz JASWQNVAWUNKHQ-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114173847 776456298 /nfs/dbraw/zinc/45/62/98/776456298.db2.gz JASWQNVAWUNKHQ-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001114175431 776456349 /nfs/dbraw/zinc/45/63/49/776456349.db2.gz DIRDVWHDRDMNTA-MEWQQHAOSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114175858 776456721 /nfs/dbraw/zinc/45/67/21/776456721.db2.gz MBBOVROZUFZWQN-CPOMMVLXSA-N 1 1 307.358 -1.582 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114175858 776456730 /nfs/dbraw/zinc/45/67/30/776456730.db2.gz MBBOVROZUFZWQN-CPOMMVLXSA-N 1 1 307.358 -1.582 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114171429 776457433 /nfs/dbraw/zinc/45/74/33/776457433.db2.gz AEPYJTNSDVIZDG-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001114178502 776457786 /nfs/dbraw/zinc/45/77/86/776457786.db2.gz OOBBECBUQVWIFA-HJUHTLPRSA-N 1 1 308.382 -1.164 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114172354 776458397 /nfs/dbraw/zinc/45/83/97/776458397.db2.gz SWFGHPDSYNVKEW-AEISUSGSSA-N 1 1 322.365 -1.636 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114179914 776458456 /nfs/dbraw/zinc/45/84/56/776458456.db2.gz ADFLPTDGOUNFPQ-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114188637 776458487 /nfs/dbraw/zinc/45/84/87/776458487.db2.gz GKHTYSKZISCNQO-JZYVYDRUSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114188637 776458493 /nfs/dbraw/zinc/45/84/93/776458493.db2.gz GKHTYSKZISCNQO-JZYVYDRUSA-N 1 1 318.337 -1.360 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114188921 776458561 /nfs/dbraw/zinc/45/85/61/776458561.db2.gz IPEJWPGUWNSFAR-JZYVYDRUSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114188921 776458565 /nfs/dbraw/zinc/45/85/65/776458565.db2.gz IPEJWPGUWNSFAR-JZYVYDRUSA-N 1 1 320.353 -1.242 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114188582 776458610 /nfs/dbraw/zinc/45/86/10/776458610.db2.gz GBJMENOJSMSJDL-DCQANWLSSA-N 1 1 306.370 -1.151 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114180498 776458649 /nfs/dbraw/zinc/45/86/49/776458649.db2.gz LRXRBTXBBMMNRN-HBYGRHMLSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114180498 776458654 /nfs/dbraw/zinc/45/86/54/776458654.db2.gz LRXRBTXBBMMNRN-HBYGRHMLSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114180550 776458767 /nfs/dbraw/zinc/45/87/67/776458767.db2.gz MRLMNTNRZVSRBZ-VXFNFUGZSA-N 1 1 308.338 -2.026 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114182552 776459788 /nfs/dbraw/zinc/45/97/88/776459788.db2.gz OIUNJGOBOMXTHK-UKKRHICBSA-N 1 1 324.385 -1.885 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC001114182054 776459879 /nfs/dbraw/zinc/45/98/79/776459879.db2.gz FFHWVSCXPMMSCW-IMRBUKKESA-N 1 1 308.382 -1.353 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC001114182054 776459881 /nfs/dbraw/zinc/45/98/81/776459881.db2.gz FFHWVSCXPMMSCW-IMRBUKKESA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114182170 776459887 /nfs/dbraw/zinc/45/98/87/776459887.db2.gz GYVHRMLUAYLDDM-OHBODLIOSA-N 1 1 323.397 -1.384 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC001114182890 776459933 /nfs/dbraw/zinc/45/99/33/776459933.db2.gz VRRLIZDNWJUDFE-IGQOVBAYSA-N 1 1 311.382 -1.482 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114181106 776459938 /nfs/dbraw/zinc/45/99/38/776459938.db2.gz XKXXVNBRDPALHF-SRRSOLGSSA-N 1 1 306.370 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114187005 776460564 /nfs/dbraw/zinc/46/05/64/776460564.db2.gz MJPXJPARKVYRBM-YABSGUDNSA-N 1 1 306.370 -1.197 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114202002 776460628 /nfs/dbraw/zinc/46/06/28/776460628.db2.gz YQZGWVWPIHEVRP-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114202002 776460635 /nfs/dbraw/zinc/46/06/35/776460635.db2.gz YQZGWVWPIHEVRP-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114203905 776460805 /nfs/dbraw/zinc/46/08/05/776460805.db2.gz LELMSVPOLYINKI-AYHNYZOXSA-N 1 1 311.298 -2.664 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114203905 776460808 /nfs/dbraw/zinc/46/08/08/776460808.db2.gz LELMSVPOLYINKI-AYHNYZOXSA-N 1 1 311.298 -2.664 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114185771 776460830 /nfs/dbraw/zinc/46/08/30/776460830.db2.gz AUVTVYLCLVJTBB-GDGBQDQQSA-N 1 1 321.341 -2.091 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114185771 776460837 /nfs/dbraw/zinc/46/08/37/776460837.db2.gz AUVTVYLCLVJTBB-GDGBQDQQSA-N 1 1 321.341 -2.091 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001114204288 776461770 /nfs/dbraw/zinc/46/17/70/776461770.db2.gz QNKDHWBHFYJSCF-KXNHARMFSA-N 1 1 322.365 -1.333 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)NCC1CC1 ZINC001114204594 776462392 /nfs/dbraw/zinc/46/23/92/776462392.db2.gz WIHGAFWVUJFGKS-SRRSOLGSSA-N 1 1 322.365 -1.333 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)NCC1CC1 ZINC001114204594 776462397 /nfs/dbraw/zinc/46/23/97/776462397.db2.gz WIHGAFWVUJFGKS-SRRSOLGSSA-N 1 1 322.365 -1.333 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114211346 776463220 /nfs/dbraw/zinc/46/32/20/776463220.db2.gz ALYLCWMAVIPPTR-IAZYJMLFSA-N 1 1 319.427 -1.257 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114211346 776463230 /nfs/dbraw/zinc/46/32/30/776463230.db2.gz ALYLCWMAVIPPTR-IAZYJMLFSA-N 1 1 319.427 -1.257 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114222541 776463249 /nfs/dbraw/zinc/46/32/49/776463249.db2.gz ARIJHCQYXMEYKQ-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114217616 776463539 /nfs/dbraw/zinc/46/35/39/776463539.db2.gz SLIHTXBGOGTBFH-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114217616 776463542 /nfs/dbraw/zinc/46/35/42/776463542.db2.gz SLIHTXBGOGTBFH-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114219574 776463564 /nfs/dbraw/zinc/46/35/64/776463564.db2.gz CTBDOIXLDJSBBX-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114219574 776463570 /nfs/dbraw/zinc/46/35/70/776463570.db2.gz CTBDOIXLDJSBBX-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114229913 776464469 /nfs/dbraw/zinc/46/44/69/776464469.db2.gz WJUKOFRRTACUOZ-NOOOWODRSA-N 1 1 319.427 -1.401 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114229913 776464474 /nfs/dbraw/zinc/46/44/74/776464474.db2.gz WJUKOFRRTACUOZ-NOOOWODRSA-N 1 1 319.427 -1.401 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114224497 776464630 /nfs/dbraw/zinc/46/46/30/776464630.db2.gz XSCOOUYMMOQUDH-YABSGUDNSA-N 1 1 323.397 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114224497 776464634 /nfs/dbraw/zinc/46/46/34/776464634.db2.gz XSCOOUYMMOQUDH-YABSGUDNSA-N 1 1 323.397 -1.370 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114226010 776464652 /nfs/dbraw/zinc/46/46/52/776464652.db2.gz FLQOQWQPYGQOSN-KLBPJQLPSA-N 1 1 311.386 -1.384 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114220473 776464663 /nfs/dbraw/zinc/46/46/63/776464663.db2.gz RIAWBFODNUYZMF-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114220473 776464667 /nfs/dbraw/zinc/46/46/67/776464667.db2.gz RIAWBFODNUYZMF-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114224202 776464676 /nfs/dbraw/zinc/46/46/76/776464676.db2.gz ROAGCZDPEBUZMK-IWIIMEHWSA-N 1 1 311.386 -1.512 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114224202 776464679 /nfs/dbraw/zinc/46/46/79/776464679.db2.gz ROAGCZDPEBUZMK-IWIIMEHWSA-N 1 1 311.386 -1.512 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114226627 776464767 /nfs/dbraw/zinc/46/47/67/776464767.db2.gz QGVUBXUXHJALPX-PJXYFTJBSA-N 1 1 314.386 -1.639 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1C ZINC001090476755 776464805 /nfs/dbraw/zinc/46/48/05/776464805.db2.gz DLBQUMSCQVUGEN-MNOVXSKESA-N 1 1 310.354 -1.044 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237706 776465761 /nfs/dbraw/zinc/46/57/61/776465761.db2.gz QYMHYVHHSAMYRN-RBXMUDONSA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237706 776465763 /nfs/dbraw/zinc/46/57/63/776465763.db2.gz QYMHYVHHSAMYRN-RBXMUDONSA-N 1 1 306.326 -1.347 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C ZINC001114232631 776465802 /nfs/dbraw/zinc/46/58/02/776465802.db2.gz YFDJRAABGNZPAU-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C ZINC001114232631 776465804 /nfs/dbraw/zinc/46/58/04/776465804.db2.gz YFDJRAABGNZPAU-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114253724 776465812 /nfs/dbraw/zinc/46/58/12/776465812.db2.gz UBIAMQURPBRXSK-SVDPJWKOSA-N 1 1 324.381 -1.079 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114253724 776465815 /nfs/dbraw/zinc/46/58/15/776465815.db2.gz UBIAMQURPBRXSK-SVDPJWKOSA-N 1 1 324.381 -1.079 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC001114245698 776465954 /nfs/dbraw/zinc/46/59/54/776465954.db2.gz MOHWKSRRROACOB-KZWBYHQPSA-N 1 1 309.370 -1.291 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC001114245698 776465956 /nfs/dbraw/zinc/46/59/56/776465956.db2.gz MOHWKSRRROACOB-KZWBYHQPSA-N 1 1 309.370 -1.291 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC001114245698 776465958 /nfs/dbraw/zinc/46/59/58/776465958.db2.gz MOHWKSRRROACOB-KZWBYHQPSA-N 1 1 309.370 -1.291 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266541 776466723 /nfs/dbraw/zinc/46/67/23/776466723.db2.gz RTHGYSGBBDNSBR-MEWQQHAOSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266541 776466725 /nfs/dbraw/zinc/46/67/25/776466725.db2.gz RTHGYSGBBDNSBR-MEWQQHAOSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)NC(N)=O ZINC001114278136 776467879 /nfs/dbraw/zinc/46/78/79/776467879.db2.gz MPVIVMFUWIABLN-QISWUMQESA-N 1 1 311.386 -1.432 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129407942 776469172 /nfs/dbraw/zinc/46/91/72/776469172.db2.gz YETYBGUCZRYUHB-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287403 776469261 /nfs/dbraw/zinc/46/92/61/776469261.db2.gz KNVHGHLIFYRGAY-XZUYRWCXSA-N 1 1 321.385 -1.236 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287220 776469469 /nfs/dbraw/zinc/46/94/69/776469469.db2.gz HCCVCMJCLBRGEE-VROVMSAKSA-N 1 1 322.329 -2.825 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287220 776469476 /nfs/dbraw/zinc/46/94/76/776469476.db2.gz HCCVCMJCLBRGEE-VROVMSAKSA-N 1 1 322.329 -2.825 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288341 776469514 /nfs/dbraw/zinc/46/95/14/776469514.db2.gz XEQIVOCSDUSNMF-DCQANWLSSA-N 1 1 321.385 -1.366 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287258 776469701 /nfs/dbraw/zinc/46/97/01/776469701.db2.gz HVGCTTVZJUZTDS-PUHVVEEASA-N 1 1 321.385 -1.366 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287258 776469705 /nfs/dbraw/zinc/46/97/05/776469705.db2.gz HVGCTTVZJUZTDS-PUHVVEEASA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129465606 776471496 /nfs/dbraw/zinc/47/14/96/776471496.db2.gz MBMFSGOVKRORBR-OLZOCXBDSA-N 1 1 310.402 -1.048 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)CN2CCOCC2=O)[nH]1 ZINC001129550825 776472395 /nfs/dbraw/zinc/47/23/95/776472395.db2.gz LGLGTNBKLFBMBJ-UHFFFAOYSA-N 1 1 324.385 -1.007 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001129551587 776472428 /nfs/dbraw/zinc/47/24/28/776472428.db2.gz RMDANHCJHTYZLG-UHFFFAOYSA-N 1 1 323.357 -1.927 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2CCOCC2=O)n1 ZINC001129574035 776473540 /nfs/dbraw/zinc/47/35/40/776473540.db2.gz QMYADHBKIKVOTB-UHFFFAOYSA-N 1 1 324.385 -1.329 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CCOCC2=O)nn1 ZINC001129573594 776473564 /nfs/dbraw/zinc/47/35/64/776473564.db2.gz DULVWZRXGHLEGI-UHFFFAOYSA-N 1 1 310.358 -1.637 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1nnnn1C ZINC001129743183 776479035 /nfs/dbraw/zinc/47/90/35/776479035.db2.gz JRUQSLOWZFIUMN-RQJHMYQMSA-N 1 1 310.318 -2.425 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743814 776480065 /nfs/dbraw/zinc/48/00/65/776480065.db2.gz WOOJVYCCEDAMND-VIFPVBQESA-N 1 1 323.357 -1.337 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743641 776480136 /nfs/dbraw/zinc/48/01/36/776480136.db2.gz SMODLHHPIIFYJE-QMMMGPOBSA-N 1 1 324.345 -1.942 20 0 DAADMO Cn1cnc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)cc1=O ZINC001129813734 776481833 /nfs/dbraw/zinc/48/18/33/776481833.db2.gz DWDIHOYTUCYSRS-UHFFFAOYSA-N 1 1 318.341 -1.379 20 0 DAADMO CC[C@]1(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CCNC1=O ZINC001129870503 776485728 /nfs/dbraw/zinc/48/57/28/776485728.db2.gz GCZCSHCOLUZCFS-ZANVPECISA-N 1 1 309.374 -1.107 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985238 776487657 /nfs/dbraw/zinc/48/76/57/776487657.db2.gz SVIZUVRLHASWBR-HLTSFMKQSA-N 1 1 309.330 -2.761 20 0 DAADMO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129992089 776489730 /nfs/dbraw/zinc/48/97/30/776489730.db2.gz KTASEZRPEIAKSZ-TUAOUCFPSA-N 1 1 323.401 -1.555 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1nccn1C)c1nnnn1C ZINC001130039195 776490678 /nfs/dbraw/zinc/49/06/78/776490678.db2.gz ZRHUUXGLVZRRSS-SNVBAGLBSA-N 1 1 322.373 -1.073 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001130038577 776490821 /nfs/dbraw/zinc/49/08/21/776490821.db2.gz KSDJLLSUNTYHRL-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130036995 776491420 /nfs/dbraw/zinc/49/14/20/776491420.db2.gz CCEMTIAMPVQLDA-SNVBAGLBSA-N 1 1 309.374 -1.042 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1cnc[nH]c1=O ZINC001130076880 776494340 /nfs/dbraw/zinc/49/43/40/776494340.db2.gz GDXWCWVJXRMNLM-UHFFFAOYSA-N 1 1 319.325 -1.177 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107562 776494507 /nfs/dbraw/zinc/49/45/07/776494507.db2.gz QZQJRNXZIGZLNS-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107562 776494510 /nfs/dbraw/zinc/49/45/10/776494510.db2.gz QZQJRNXZIGZLNS-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090482232 776495623 /nfs/dbraw/zinc/49/56/23/776495623.db2.gz LSQAMBSOBXJMHW-NXEZZACHSA-N 1 1 310.358 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090482232 776495625 /nfs/dbraw/zinc/49/56/25/776495625.db2.gz LSQAMBSOBXJMHW-NXEZZACHSA-N 1 1 310.358 -1.634 20 0 DAADMO Cn1nccc1COCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001130120837 776495819 /nfs/dbraw/zinc/49/58/19/776495819.db2.gz LFGAJGDQTNMWOV-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090482198 776496047 /nfs/dbraw/zinc/49/60/47/776496047.db2.gz LOHOLWJAYHMYML-UONOGXRCSA-N 1 1 321.377 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090482234 776496202 /nfs/dbraw/zinc/49/62/02/776496202.db2.gz LSQAMBSOBXJMHW-VHSXEESVSA-N 1 1 310.358 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090482234 776496207 /nfs/dbraw/zinc/49/62/07/776496207.db2.gz LSQAMBSOBXJMHW-VHSXEESVSA-N 1 1 310.358 -1.634 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2cccnc12 ZINC001090483097 776497493 /nfs/dbraw/zinc/49/74/93/776497493.db2.gz PTAJXDKFDOUYGG-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[nH]1 ZINC001130173623 776497692 /nfs/dbraw/zinc/49/76/92/776497692.db2.gz WMOLQNKATFWSBE-UWVGGRQHSA-N 1 1 310.358 -1.351 20 0 DAADMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[nH]1 ZINC001130173041 776497835 /nfs/dbraw/zinc/49/78/35/776497835.db2.gz CENWUAXVURTEDY-QWRGUYRKSA-N 1 1 324.385 -1.009 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186927 776497915 /nfs/dbraw/zinc/49/79/15/776497915.db2.gz MMEFVKVQOHKPFP-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186927 776497917 /nfs/dbraw/zinc/49/79/17/776497917.db2.gz MMEFVKVQOHKPFP-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186929 776497948 /nfs/dbraw/zinc/49/79/48/776497948.db2.gz MMEFVKVQOHKPFP-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186929 776497951 /nfs/dbraw/zinc/49/79/51/776497951.db2.gz MMEFVKVQOHKPFP-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO CC[C@H](C(=O)NCCNCC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001130197732 776498144 /nfs/dbraw/zinc/49/81/44/776498144.db2.gz OGVBAXWSNFSESZ-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2cccnc12 ZINC001090483101 776498077 /nfs/dbraw/zinc/49/80/77/776498077.db2.gz PTAJXDKFDOUYGG-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130248474 776499125 /nfs/dbraw/zinc/49/91/25/776499125.db2.gz GTVJGAUDLABULA-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090483576 776500573 /nfs/dbraw/zinc/50/05/73/776500573.db2.gz TYPVLOQSKIHVKV-MNOVXSKESA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090483576 776500575 /nfs/dbraw/zinc/50/05/75/776500575.db2.gz TYPVLOQSKIHVKV-MNOVXSKESA-N 1 1 322.369 -1.490 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]CC(=O)Nc1ccon1)S(C)(=O)=O ZINC001130330245 776502793 /nfs/dbraw/zinc/50/27/93/776502793.db2.gz NFDXAFCOHOGKIG-MRVPVSSYSA-N 1 1 318.355 -1.248 20 0 DAADMO COCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001130333559 776503524 /nfs/dbraw/zinc/50/35/24/776503524.db2.gz CAIGALMEEKDISN-UHFFFAOYSA-N 1 1 318.399 -1.313 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377552 776504481 /nfs/dbraw/zinc/50/44/81/776504481.db2.gz YUPLQEMQKZDPPG-DTWKUNHWSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377552 776504489 /nfs/dbraw/zinc/50/44/89/776504489.db2.gz YUPLQEMQKZDPPG-DTWKUNHWSA-N 1 1 322.369 -1.436 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130337949 776504684 /nfs/dbraw/zinc/50/46/84/776504684.db2.gz NZFSITGYOOQJEE-LLVKDONJSA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@]1(CO)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[C@H]1O ZINC001157946905 776504752 /nfs/dbraw/zinc/50/47/52/776504752.db2.gz POGFRYUPPHYYSY-GZBFAFLISA-N 1 1 314.430 -1.671 20 0 DAADMO NC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130345623 776505084 /nfs/dbraw/zinc/50/50/84/776505084.db2.gz SCKFVHVKUQARCZ-VIFPVBQESA-N 1 1 310.358 -1.524 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377554 776505623 /nfs/dbraw/zinc/50/56/23/776505623.db2.gz YUPLQEMQKZDPPG-IUCAKERBSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377554 776505626 /nfs/dbraw/zinc/50/56/26/776505626.db2.gz YUPLQEMQKZDPPG-IUCAKERBSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@]1(CO)CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC[C@@H]1O ZINC001157946467 776506840 /nfs/dbraw/zinc/50/68/40/776506840.db2.gz NKBBPDZZASYGEJ-VNHYZAJKSA-N 1 1 314.430 -1.671 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001130381785 776507286 /nfs/dbraw/zinc/50/72/86/776507286.db2.gz MTNGIFVOPFVWHP-UHFFFAOYSA-N 1 1 322.369 -1.757 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nocc1C ZINC001130385064 776508554 /nfs/dbraw/zinc/50/85/54/776508554.db2.gz XVMSGXPAUDNYDJ-UHFFFAOYSA-N 1 1 311.342 -1.559 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001130384344 776508692 /nfs/dbraw/zinc/50/86/92/776508692.db2.gz DGEGGPPYEHIAAH-UHFFFAOYSA-N 1 1 311.346 -2.429 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001130382159 776508896 /nfs/dbraw/zinc/50/88/96/776508896.db2.gz VFUDTQKSPDQTAN-UHFFFAOYSA-N 1 1 311.346 -2.727 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418211 776509659 /nfs/dbraw/zinc/50/96/59/776509659.db2.gz OFKRFWNINCMDBR-WPRPVWTQSA-N 1 1 322.369 -1.436 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418209 776509707 /nfs/dbraw/zinc/50/97/07/776509707.db2.gz OFKRFWNINCMDBR-WCBMZHEXSA-N 1 1 322.369 -1.436 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)nn1 ZINC001130442639 776509743 /nfs/dbraw/zinc/50/97/43/776509743.db2.gz QPLYBOJVPHLWAI-VIFPVBQESA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)n1 ZINC001130443026 776509986 /nfs/dbraw/zinc/50/99/86/776509986.db2.gz UDVNHOUXZIPKPR-SECBINFHSA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130443389 776510086 /nfs/dbraw/zinc/51/00/86/776510086.db2.gz WRTHUMCHVPKYND-SECBINFHSA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130442048 776510102 /nfs/dbraw/zinc/51/01/02/776510102.db2.gz NCXYBBVEIRIGEU-MRVPVSSYSA-N 1 1 321.345 -2.024 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090485292 776513360 /nfs/dbraw/zinc/51/33/60/776513360.db2.gz GKQVPWXLOBNOKU-NEPJUHHUSA-N 1 1 312.370 -1.024 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001090485458 776513551 /nfs/dbraw/zinc/51/35/51/776513551.db2.gz HUJCKLMIJWTSDY-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001090485457 776513647 /nfs/dbraw/zinc/51/36/47/776513647.db2.gz HUJCKLMIJWTSDY-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130550488 776514378 /nfs/dbraw/zinc/51/43/78/776514378.db2.gz KLMUVJBZZQBRPQ-UHFFFAOYSA-N 1 1 322.413 -1.117 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090486596 776514752 /nfs/dbraw/zinc/51/47/52/776514752.db2.gz NYONKXJDFAZKEL-WDEREUQCSA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090486596 776514754 /nfs/dbraw/zinc/51/47/54/776514754.db2.gz NYONKXJDFAZKEL-WDEREUQCSA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090486593 776514993 /nfs/dbraw/zinc/51/49/93/776514993.db2.gz NYONKXJDFAZKEL-GHMZBOCLSA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090486593 776515000 /nfs/dbraw/zinc/51/50/00/776515000.db2.gz NYONKXJDFAZKEL-GHMZBOCLSA-N 1 1 302.350 -2.061 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001130553710 776515940 /nfs/dbraw/zinc/51/59/40/776515940.db2.gz NACQKEHUFFNAJI-UHFFFAOYSA-N 1 1 309.374 -2.205 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001130553523 776516102 /nfs/dbraw/zinc/51/61/02/776516102.db2.gz JICKHKVAUGUXPR-JTQLQIEISA-N 1 1 323.401 -1.346 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CC2CS(=O)(=O)C2)nn1 ZINC001130577929 776517475 /nfs/dbraw/zinc/51/74/75/776517475.db2.gz OHLIGTLCYFYMFQ-UHFFFAOYSA-N 1 1 301.372 -1.544 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090487446 776518819 /nfs/dbraw/zinc/51/88/19/776518819.db2.gz VFPAHUKSIRHQFE-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090487448 776518879 /nfs/dbraw/zinc/51/88/79/776518879.db2.gz VFPAHUKSIRHQFE-RYUDHWBXSA-N 1 1 314.386 -2.384 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130590808 776519544 /nfs/dbraw/zinc/51/95/44/776519544.db2.gz IHMMOFRTFNBXBI-UHFFFAOYSA-N 1 1 323.361 -1.945 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001130590949 776519687 /nfs/dbraw/zinc/51/96/87/776519687.db2.gz NSMLYWSDCGFACY-UHFFFAOYSA-N 1 1 308.346 -1.901 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130590814 776520318 /nfs/dbraw/zinc/52/03/18/776520318.db2.gz IQPXMLZSJXSBPF-UHFFFAOYSA-N 1 1 308.346 -1.901 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001130608070 776521720 /nfs/dbraw/zinc/52/17/20/776521720.db2.gz RNGUPWBIKLZIAK-UHFFFAOYSA-N 1 1 317.313 -1.293 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)nn1C ZINC001130593979 776521878 /nfs/dbraw/zinc/52/18/78/776521878.db2.gz JPTATDQPHPNQBT-UHFFFAOYSA-N 1 1 307.358 -1.470 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090489524 776525015 /nfs/dbraw/zinc/52/50/15/776525015.db2.gz NHABUBOOYNAEJT-WDEREUQCSA-N 1 1 300.359 -3.038 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090489758 776525616 /nfs/dbraw/zinc/52/56/16/776525616.db2.gz OYTRFMHDOULYDL-VXGBXAGGSA-N 1 1 314.386 -2.648 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090489523 776525706 /nfs/dbraw/zinc/52/57/06/776525706.db2.gz NHABUBOOYNAEJT-QWRGUYRKSA-N 1 1 300.359 -3.038 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C1CCC(C(N)=O)CC1 ZINC001130679921 776526042 /nfs/dbraw/zinc/52/60/42/776526042.db2.gz OLWGTTODUVAEJI-UHFFFAOYSA-N 1 1 309.374 -1.292 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@H]1CCC(=O)NC1 ZINC001130702931 776526851 /nfs/dbraw/zinc/52/68/51/776526851.db2.gz YVIDFNHUHXCFLC-JTQLQIEISA-N 1 1 312.349 -1.020 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001130751566 776528132 /nfs/dbraw/zinc/52/81/32/776528132.db2.gz FCLAWAHZBZNPDL-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)C1 ZINC001130752209 776528365 /nfs/dbraw/zinc/52/83/65/776528365.db2.gz RXOACGWRODRICQ-VIFPVBQESA-N 1 1 323.357 -2.152 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)NCC(=O)N1CCCC1 ZINC001130751768 776528859 /nfs/dbraw/zinc/52/88/59/776528859.db2.gz IPXVEZGPNUJTSS-UHFFFAOYSA-N 1 1 323.357 -2.137 20 0 DAADMO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748756 776528994 /nfs/dbraw/zinc/52/89/94/776528994.db2.gz LLCXKKBMJCZPAT-UHFFFAOYSA-N 1 1 311.346 -1.252 20 0 DAADMO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cnn[nH]1 ZINC001130748555 776529220 /nfs/dbraw/zinc/52/92/20/776529220.db2.gz GFQAWDDVWNEQDV-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001130752308 776529284 /nfs/dbraw/zinc/52/92/84/776529284.db2.gz VOCUTSBZZWYGHB-SSDOTTSWSA-N 1 1 309.330 -1.499 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)c1cnn[nH]1 ZINC001130751626 776529353 /nfs/dbraw/zinc/52/93/53/776529353.db2.gz GQVHCPMEOVJEIK-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)c1cnn[nH]1 ZINC001130751627 776529360 /nfs/dbraw/zinc/52/93/60/776529360.db2.gz GQVHCPMEOVJEIK-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)n(C)n1 ZINC001130751610 776529397 /nfs/dbraw/zinc/52/93/97/776529397.db2.gz GICXCEIJKVVVHI-UHFFFAOYSA-N 1 1 306.330 -1.195 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cnn[nH]1 ZINC001130752330 776529449 /nfs/dbraw/zinc/52/94/49/776529449.db2.gz WOGFPWVDIFGZJZ-GHMZBOCLSA-N 1 1 313.358 -1.319 20 0 DAADMO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn[nH]3)C2=O)cn1 ZINC001130748725 776529640 /nfs/dbraw/zinc/52/96/40/776529640.db2.gz KEAAADJBDYCAGR-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130752468 776530696 /nfs/dbraw/zinc/53/06/96/776530696.db2.gz XTJLHHKBVUHSSP-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cnn[nH]1 ZINC001130752332 776531073 /nfs/dbraw/zinc/53/10/73/776531073.db2.gz WOGFPWVDIFGZJZ-QWRGUYRKSA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCCNC1=O)c1nncn1C ZINC001130784442 776531935 /nfs/dbraw/zinc/53/19/35/776531935.db2.gz SWHGAHJPEUEUJF-JTQLQIEISA-N 1 1 309.374 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC001090495037 776532205 /nfs/dbraw/zinc/53/22/05/776532205.db2.gz ASCRHQAPZXDALD-OKWIKPQFSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC001090495037 776532208 /nfs/dbraw/zinc/53/22/08/776532208.db2.gz ASCRHQAPZXDALD-OKWIKPQFSA-N 1 1 323.393 -1.338 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCCNC1=O)c1nncn1C ZINC001130784443 776532532 /nfs/dbraw/zinc/53/25/32/776532532.db2.gz SWHGAHJPEUEUJF-SNVBAGLBSA-N 1 1 309.374 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC001090495033 776532753 /nfs/dbraw/zinc/53/27/53/776532753.db2.gz ASCRHQAPZXDALD-GGAZOKNXSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC001090495033 776532762 /nfs/dbraw/zinc/53/27/62/776532762.db2.gz ASCRHQAPZXDALD-GGAZOKNXSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001130784141 776533123 /nfs/dbraw/zinc/53/31/23/776533123.db2.gz FHCZKUFITXGDDU-UHFFFAOYSA-N 1 1 322.373 -1.371 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CCCNC2=O)n1 ZINC001130784596 776533147 /nfs/dbraw/zinc/53/31/47/776533147.db2.gz ZTHIPYTVOAVMNL-UHFFFAOYSA-N 1 1 309.374 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnn2c1OCCC2 ZINC001130835356 776535748 /nfs/dbraw/zinc/53/57/48/776535748.db2.gz RWICWPDMMJLPMZ-UHFFFAOYSA-N 1 1 306.330 -1.291 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC001090496483 776542745 /nfs/dbraw/zinc/54/27/45/776542745.db2.gz QEBOFDIIIDSZNY-RYUDHWBXSA-N 1 1 324.385 -1.056 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cc(C(N)=O)cn2C)nn1 ZINC001130891703 776543362 /nfs/dbraw/zinc/54/33/62/776543362.db2.gz CPWHIFRSBCTQLH-UHFFFAOYSA-N 1 1 305.342 -1.228 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)nn1 ZINC001130938797 776544001 /nfs/dbraw/zinc/54/40/01/776544001.db2.gz UQACKUJDHXHUKP-UHFFFAOYSA-N 1 1 307.314 -2.017 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)nc1 ZINC001130938953 776544956 /nfs/dbraw/zinc/54/49/56/776544956.db2.gz YSKYZMOZHRDTLP-UHFFFAOYSA-N 1 1 318.337 -1.047 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944733 776546408 /nfs/dbraw/zinc/54/64/08/776546408.db2.gz ZLPCVHXAMDSBDD-UHFFFAOYSA-N 1 1 308.302 -2.622 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)nn1 ZINC001130941647 776546689 /nfs/dbraw/zinc/54/66/89/776546689.db2.gz VORYNAVXRKJVAP-UHFFFAOYSA-N 1 1 321.341 -1.534 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCN1C(=O)CCC1=O)c1nnnn1C ZINC001130994703 776549127 /nfs/dbraw/zinc/54/91/27/776549127.db2.gz NOFZTWLHZIGULH-VIFPVBQESA-N 1 1 323.357 -1.484 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131008576 776550363 /nfs/dbraw/zinc/55/03/63/776550363.db2.gz UYCFLBODAQWVOO-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001131000971 776551126 /nfs/dbraw/zinc/55/11/26/776551126.db2.gz LBKWOXZMWXHKIL-SECBINFHSA-N 1 1 301.372 -1.544 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 ZINC001131010765 776552477 /nfs/dbraw/zinc/55/24/77/776552477.db2.gz BMSWPFHTBDAIFJ-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011222 776552536 /nfs/dbraw/zinc/55/25/36/776552536.db2.gz RNGNRFXTGAFNAB-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 ZINC001130998309 776552643 /nfs/dbraw/zinc/55/26/43/776552643.db2.gz NYERXGTYJRGJSJ-JTQLQIEISA-N 1 1 315.399 -1.062 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(C)ccc1=O)c1nnnn1C ZINC001131161978 776559407 /nfs/dbraw/zinc/55/94/07/776559407.db2.gz LKSMFCRUARGNEH-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc2nnnn2c1)c1nnnn1C ZINC001131279066 776561487 /nfs/dbraw/zinc/56/14/87/776561487.db2.gz WBJMMXOYMCOWGU-MRVPVSSYSA-N 1 1 316.329 -1.272 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090499119 776561902 /nfs/dbraw/zinc/56/19/02/776561902.db2.gz GFOOXQMRANAISA-UWVGGRQHSA-N 1 1 321.345 -2.333 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090499122 776562032 /nfs/dbraw/zinc/56/20/32/776562032.db2.gz GFOOXQMRANAISA-ZJUUUORDSA-N 1 1 321.345 -2.333 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001131322821 776563362 /nfs/dbraw/zinc/56/33/62/776563362.db2.gz CODKHUHEJWKZSH-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001131322821 776563369 /nfs/dbraw/zinc/56/33/69/776563369.db2.gz CODKHUHEJWKZSH-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2nccn2c1 ZINC001131345151 776564335 /nfs/dbraw/zinc/56/43/35/776564335.db2.gz ZOBXNCYJZAZQEU-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)CNC(=O)NC)CC1 ZINC001131364849 776567760 /nfs/dbraw/zinc/56/77/60/776567760.db2.gz ZNTYOXDDOZEVOX-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO COCCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377347 776567867 /nfs/dbraw/zinc/56/78/67/776567867.db2.gz VAAPZLJYYDEKJG-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO COCCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377347 776567875 /nfs/dbraw/zinc/56/78/75/776567875.db2.gz VAAPZLJYYDEKJG-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2cncn2c1 ZINC001131370706 776567904 /nfs/dbraw/zinc/56/79/04/776567904.db2.gz SJEAOEFJRSBXIF-UHFFFAOYSA-N 1 1 304.310 -1.151 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2ncnn2CCF)ncc1=O ZINC001131536022 776574155 /nfs/dbraw/zinc/57/41/55/776574155.db2.gz CPMHEMOHXDYKSN-UHFFFAOYSA-N 1 1 323.332 -1.139 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131537139 776576496 /nfs/dbraw/zinc/57/64/96/776576496.db2.gz XWQBPYXEDNXOOP-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001131634547 776578181 /nfs/dbraw/zinc/57/81/81/776578181.db2.gz YSDMHEZGQXFPKE-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001131634548 776578784 /nfs/dbraw/zinc/57/87/84/776578784.db2.gz YSDMHEZGQXFPKE-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001131634545 776579071 /nfs/dbraw/zinc/57/90/71/776579071.db2.gz YSDMHEZGQXFPKE-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131633295 776579344 /nfs/dbraw/zinc/57/93/44/776579344.db2.gz PFJZYWONZGFYEA-GWCFXTLKSA-N 1 1 300.359 -1.661 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131633297 776579447 /nfs/dbraw/zinc/57/94/47/776579447.db2.gz PFJZYWONZGFYEA-MFKMUULPSA-N 1 1 300.359 -1.661 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001131666594 776580402 /nfs/dbraw/zinc/58/04/02/776580402.db2.gz PQAUYZBAGMEKHC-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131671598 776580825 /nfs/dbraw/zinc/58/08/25/776580825.db2.gz CCOKKFFYLHYCEX-JTQLQIEISA-N 1 1 318.341 -1.600 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CCOCCO)C2)O1 ZINC001131677052 776581957 /nfs/dbraw/zinc/58/19/57/776581957.db2.gz IDJBJTFXMXCORJ-RISCZKNCSA-N 1 1 315.370 -1.828 20 0 DAADMO CC[C@@H]1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC(=O)N1 ZINC001131681177 776582488 /nfs/dbraw/zinc/58/24/88/776582488.db2.gz WVIQNTJVSXXJOO-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CNC(=O)C1 ZINC001131684726 776582535 /nfs/dbraw/zinc/58/25/35/776582535.db2.gz LTSSVJUWFVVDRI-ZDUSSCGKSA-N 1 1 312.349 -1.020 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131753028 776583643 /nfs/dbraw/zinc/58/36/43/776583643.db2.gz YPCQVRKCMXMPJA-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131753028 776583646 /nfs/dbraw/zinc/58/36/46/776583646.db2.gz YPCQVRKCMXMPJA-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131698279 776583809 /nfs/dbraw/zinc/58/38/09/776583809.db2.gz XUBGLRPZIBRMMH-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO Cn1cnn(CCC(=O)NCC[NH2+]Cc2cnn(C)n2)c1=O ZINC001131762880 776586510 /nfs/dbraw/zinc/58/65/10/776586510.db2.gz KUCYQVZMRJCENW-UHFFFAOYSA-N 1 1 308.346 -1.994 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1ncnn1C)S(N)(=O)=O ZINC001131777905 776589953 /nfs/dbraw/zinc/58/99/53/776589953.db2.gz YSATVLSIXJDGCF-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1ncnn1C)S(N)(=O)=O ZINC001131777906 776590118 /nfs/dbraw/zinc/59/01/18/776590118.db2.gz YSATVLSIXJDGCF-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001131784006 776590977 /nfs/dbraw/zinc/59/09/77/776590977.db2.gz MPXOXMNNRWOMGP-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001131784006 776590980 /nfs/dbraw/zinc/59/09/80/776590980.db2.gz MPXOXMNNRWOMGP-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CCOCCO ZINC001131783540 776591164 /nfs/dbraw/zinc/59/11/64/776591164.db2.gz FRNRJLUDFXKAFS-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828472 776592401 /nfs/dbraw/zinc/59/24/01/776592401.db2.gz RSGQLGHVMMOOCZ-UHFFFAOYSA-N 1 1 318.403 -1.837 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131828490 776592480 /nfs/dbraw/zinc/59/24/80/776592480.db2.gz SMDTVVIEHXKOGG-UHFFFAOYSA-N 1 1 319.391 -2.442 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(C)on1 ZINC001131828415 776593232 /nfs/dbraw/zinc/59/32/32/776593232.db2.gz PIYLYTPHKQAMIL-UHFFFAOYSA-N 1 1 305.360 -1.757 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001131831531 776594361 /nfs/dbraw/zinc/59/43/61/776594361.db2.gz HBLLRSSZIWUZAY-SSDOTTSWSA-N 1 1 320.379 -2.969 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001131831610 776595101 /nfs/dbraw/zinc/59/51/01/776595101.db2.gz JCXMIJMRGGEXIB-QMMMGPOBSA-N 1 1 319.391 -2.364 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cscn1 ZINC001131837204 776595987 /nfs/dbraw/zinc/59/59/87/776595987.db2.gz VCGXQRVPAMKWHU-UHFFFAOYSA-N 1 1 307.401 -1.597 20 0 DAADMO CO[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)N(C(C)=O)C1 ZINC001131905076 776599412 /nfs/dbraw/zinc/59/94/12/776599412.db2.gz CPLURVVRLJOFPF-NWDGAFQWSA-N 1 1 324.385 -1.045 20 0 DAADMO CCO[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)[C@@H]1CCOC1 ZINC001131889019 776599479 /nfs/dbraw/zinc/59/94/79/776599479.db2.gz GFGDEDCPFDZIGD-PWSUYJOCSA-N 1 1 312.374 -1.143 20 0 DAADMO CCO[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)[C@H]1CCOC1 ZINC001131889017 776599832 /nfs/dbraw/zinc/59/98/32/776599832.db2.gz GFGDEDCPFDZIGD-CMPLNLGQSA-N 1 1 312.374 -1.143 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001132005789 776600985 /nfs/dbraw/zinc/60/09/85/776600985.db2.gz CGOYBUCVXMVHFH-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001132005789 776600994 /nfs/dbraw/zinc/60/09/94/776600994.db2.gz CGOYBUCVXMVHFH-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@@H+]1CCNS(C)(=O)=O ZINC001131965324 776601563 /nfs/dbraw/zinc/60/15/63/776601563.db2.gz UGLFJPPAKVJRQT-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCNS(C)(=O)=O ZINC001131965324 776601567 /nfs/dbraw/zinc/60/15/67/776601567.db2.gz UGLFJPPAKVJRQT-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001131968065 776601702 /nfs/dbraw/zinc/60/17/02/776601702.db2.gz LBDSOZIMPUTMJZ-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@@H+]1CCNS(C)(=O)=O ZINC001131965326 776602141 /nfs/dbraw/zinc/60/21/41/776602141.db2.gz UGLFJPPAKVJRQT-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCNS(C)(=O)=O ZINC001131965326 776602145 /nfs/dbraw/zinc/60/21/45/776602145.db2.gz UGLFJPPAKVJRQT-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CC(N)=O)C[N@@H+]1CCNS(C)(=O)=O ZINC001131965325 776602512 /nfs/dbraw/zinc/60/25/12/776602512.db2.gz UGLFJPPAKVJRQT-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCNS(C)(=O)=O ZINC001131965325 776602515 /nfs/dbraw/zinc/60/25/15/776602515.db2.gz UGLFJPPAKVJRQT-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C[N@@H+]1CCNS(C)(=O)=O ZINC001131965327 776602818 /nfs/dbraw/zinc/60/28/18/776602818.db2.gz UGLFJPPAKVJRQT-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCNS(C)(=O)=O ZINC001131965327 776602823 /nfs/dbraw/zinc/60/28/23/776602823.db2.gz UGLFJPPAKVJRQT-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001131968070 776602883 /nfs/dbraw/zinc/60/28/83/776602883.db2.gz LBDSOZIMPUTMJZ-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132038830 776603603 /nfs/dbraw/zinc/60/36/03/776603603.db2.gz VBQOEMRRGHITFE-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001132042519 776603695 /nfs/dbraw/zinc/60/36/95/776603695.db2.gz VPQWVRXBMYUADU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001132042519 776603699 /nfs/dbraw/zinc/60/36/99/776603699.db2.gz VPQWVRXBMYUADU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001132042520 776604119 /nfs/dbraw/zinc/60/41/19/776604119.db2.gz VPQWVRXBMYUADU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@H]1C ZINC001132042520 776604122 /nfs/dbraw/zinc/60/41/22/776604122.db2.gz VPQWVRXBMYUADU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132042522 776604612 /nfs/dbraw/zinc/60/46/12/776604612.db2.gz VPQWVRXBMYUADU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132042522 776604617 /nfs/dbraw/zinc/60/46/17/776604617.db2.gz VPQWVRXBMYUADU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132078844 776605056 /nfs/dbraw/zinc/60/50/56/776605056.db2.gz OOXXQFOZYZSOSS-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCOCCO)C1 ZINC001132082963 776605821 /nfs/dbraw/zinc/60/58/21/776605821.db2.gz KZWUALABRXOSFU-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132090564 776606586 /nfs/dbraw/zinc/60/65/86/776606586.db2.gz IXUDHVCSDPDWLW-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132090564 776606589 /nfs/dbraw/zinc/60/65/89/776606589.db2.gz IXUDHVCSDPDWLW-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001132165563 776608614 /nfs/dbraw/zinc/60/86/14/776608614.db2.gz XLAGLPQXCCTEPV-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001132165563 776608622 /nfs/dbraw/zinc/60/86/22/776608622.db2.gz XLAGLPQXCCTEPV-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CCO ZINC001132202017 776610812 /nfs/dbraw/zinc/61/08/12/776610812.db2.gz AVJAMXKGSINOFL-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132198937 776612092 /nfs/dbraw/zinc/61/20/92/776612092.db2.gz CUHWZCFKOBOIFR-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132198937 776612094 /nfs/dbraw/zinc/61/20/94/776612094.db2.gz CUHWZCFKOBOIFR-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC[NH2+]Cc2cnns2)c1=O ZINC001132241543 776614054 /nfs/dbraw/zinc/61/40/54/776614054.db2.gz AWGVWJHVRWVIRC-UHFFFAOYSA-N 1 1 310.339 -1.143 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2ccn3nnnc3c2)nn1 ZINC001132271764 776615389 /nfs/dbraw/zinc/61/53/89/776615389.db2.gz FIYBVQAOOZWJHJ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccn2nnnc2c1)c1nnnn1C ZINC001132271899 776616245 /nfs/dbraw/zinc/61/62/45/776616245.db2.gz GWTNHXGKWPSNER-MRVPVSSYSA-N 1 1 316.329 -1.272 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccn2nnnc2c1 ZINC001132272277 776616541 /nfs/dbraw/zinc/61/65/41/776616541.db2.gz WXIXVWQNGNNHFU-UHFFFAOYSA-N 1 1 302.302 -1.833 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)n1C ZINC001132317343 776616948 /nfs/dbraw/zinc/61/69/48/776616948.db2.gz CUPYDRBXLMRSOY-UHFFFAOYSA-N 1 1 323.401 -1.985 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132337171 776618675 /nfs/dbraw/zinc/61/86/75/776618675.db2.gz HGAAWAKIDYJQSL-ZJUUUORDSA-N 1 1 312.349 -1.035 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337500 776618902 /nfs/dbraw/zinc/61/89/02/776618902.db2.gz LNEKIUGWGLTJGK-VHSXEESVSA-N 1 1 309.374 -1.029 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132337062 776619023 /nfs/dbraw/zinc/61/90/23/776619023.db2.gz FVRPIGIQLVOYTI-VHSXEESVSA-N 1 1 307.358 -1.275 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318370 776619079 /nfs/dbraw/zinc/61/90/79/776619079.db2.gz WVCRJUIYXMXDNU-UHFFFAOYSA-N 1 1 323.401 -1.503 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)nn1 ZINC001132320595 776620586 /nfs/dbraw/zinc/62/05/86/776620586.db2.gz KUHWTCLZSIVJMW-UHFFFAOYSA-N 1 1 309.374 -2.064 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132363892 776622352 /nfs/dbraw/zinc/62/23/52/776622352.db2.gz ZWZWDZWPHYOAEM-ZJUUUORDSA-N 1 1 309.374 -1.200 20 0 DAADMO Cn1c(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)c[nH]c1=O ZINC001132366840 776622372 /nfs/dbraw/zinc/62/23/72/776622372.db2.gz BEFKFIYHQMPYAA-UHFFFAOYSA-N 1 1 321.341 -1.233 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)c1nnnn1C1CC1 ZINC001132358842 776623468 /nfs/dbraw/zinc/62/34/68/776623468.db2.gz INCZAXXIJGDRGS-SCZZXKLOSA-N 1 1 307.358 -1.089 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@H]1CCNC1=O ZINC001132359873 776623586 /nfs/dbraw/zinc/62/35/86/776623586.db2.gz TVJQGOGLINRCMC-JTQLQIEISA-N 1 1 306.370 -1.044 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCNC1=O ZINC001132360420 776625260 /nfs/dbraw/zinc/62/52/60/776625260.db2.gz YOEPPNPGNHKIAR-VIFPVBQESA-N 1 1 308.342 -1.850 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)NC1=O ZINC001132382249 776626780 /nfs/dbraw/zinc/62/67/80/776626780.db2.gz GHQJXFKWOVDXKA-SECBINFHSA-N 1 1 308.346 -1.763 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387755 776626883 /nfs/dbraw/zinc/62/68/83/776626883.db2.gz ZJCKVFJUHBZJGO-VIFPVBQESA-N 1 1 310.362 -1.688 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001132387756 776627011 /nfs/dbraw/zinc/62/70/11/776627011.db2.gz ZLTDYLZQVIVBSB-LLVKDONJSA-N 1 1 309.374 -1.164 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382095 776627063 /nfs/dbraw/zinc/62/70/63/776627063.db2.gz CLAPAEZTWQMSLI-VIFPVBQESA-N 1 1 310.362 -1.517 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)NC1=O ZINC001132383014 776628612 /nfs/dbraw/zinc/62/86/12/776628612.db2.gz VVVSJAXSMMHZKP-VIFPVBQESA-N 1 1 313.337 -1.523 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCO)C1 ZINC001132499350 776630191 /nfs/dbraw/zinc/63/01/91/776630191.db2.gz GXLCCLBSTYHEAE-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132531483 776633288 /nfs/dbraw/zinc/63/32/88/776633288.db2.gz FRUCVPGUZABOAA-JTQLQIEISA-N 1 1 309.374 -1.090 20 0 DAADMO CN1CC[C@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1=O ZINC001132609030 776637799 /nfs/dbraw/zinc/63/77/99/776637799.db2.gz OODSKWIWEIEOLZ-SNVBAGLBSA-N 1 1 312.349 -1.068 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132762219 776639835 /nfs/dbraw/zinc/63/98/35/776639835.db2.gz JFFVFNUQUVLEJF-SNVBAGLBSA-N 1 1 322.369 -1.365 20 0 DAADMO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848845 776642323 /nfs/dbraw/zinc/64/23/23/776642323.db2.gz TZGMJWQMDHWAGJ-STQMWFEESA-N 1 1 303.403 -1.191 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCCc2n[nH]nc21 ZINC001133001219 776648181 /nfs/dbraw/zinc/64/81/81/776648181.db2.gz VPSFLNXMSBTVNW-PSASIEDQSA-N 1 1 320.353 -1.264 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001132998753 776648554 /nfs/dbraw/zinc/64/85/54/776648554.db2.gz YCRWPOSOWFORFF-ZETCQYMHSA-N 1 1 309.330 -1.875 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCc2n[nH]nc21)C(=O)NC(N)=O ZINC001132997964 776649129 /nfs/dbraw/zinc/64/91/29/776649129.db2.gz NCXRPPYNFTWWCZ-SFYZADRCSA-N 1 1 323.357 -1.486 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009782 776651139 /nfs/dbraw/zinc/65/11/39/776651139.db2.gz SZRONGGJVQYRKZ-UHFFFAOYSA-N 1 1 306.330 -1.314 20 0 DAADMO O=C(NCC[NH2+]Cc1cn(CC2CC2)nn1)[C@H]1CNC(=O)N1 ZINC001133111506 776652456 /nfs/dbraw/zinc/65/24/56/776652456.db2.gz FFTQGFXBHDBMDC-LLVKDONJSA-N 1 1 307.358 -1.425 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CNC(=O)N1 ZINC001133111703 776652600 /nfs/dbraw/zinc/65/26/00/776652600.db2.gz LWHAFMNXPKDQPT-MRVPVSSYSA-N 1 1 309.330 -2.305 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001133115128 776654140 /nfs/dbraw/zinc/65/41/40/776654140.db2.gz GKXBEWWHOHEGEQ-JTQLQIEISA-N 1 1 309.374 -1.080 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1nnnn1C1CC1 ZINC001133115402 776654155 /nfs/dbraw/zinc/65/41/55/776654155.db2.gz MJNJZXMVDYXQBT-IONNQARKSA-N 1 1 308.346 -1.544 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)nnc1C1CC1 ZINC001133128694 776657542 /nfs/dbraw/zinc/65/75/42/776657542.db2.gz LICFJBMNWZOAPM-SECBINFHSA-N 1 1 307.358 -1.420 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O)[nH]1 ZINC001133151912 776657769 /nfs/dbraw/zinc/65/77/69/776657769.db2.gz LLWZCKONVXDIBX-MRVPVSSYSA-N 1 1 318.403 -1.051 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1C ZINC001133129005 776658002 /nfs/dbraw/zinc/65/80/02/776658002.db2.gz SUCJHOOWTADOGT-VIFPVBQESA-N 1 1 309.374 -1.174 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001133255475 776663911 /nfs/dbraw/zinc/66/39/11/776663911.db2.gz OVBMIVGUTBMXCN-KCJUWKMLSA-N 1 1 310.358 -1.964 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133254712 776663994 /nfs/dbraw/zinc/66/39/94/776663994.db2.gz GGZFRMMURQAQBO-LBPRGKRZSA-N 1 1 324.385 -1.749 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CCCS(C)(=O)=O)=NC1=O ZINC001133350225 776665176 /nfs/dbraw/zinc/66/51/76/776665176.db2.gz CMOLJAMOGOIMER-UHFFFAOYSA-N 1 1 304.372 -1.120 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)=NC1=O ZINC001133335303 776665263 /nfs/dbraw/zinc/66/52/63/776665263.db2.gz OXCYHKVEWXAUON-UHFFFAOYSA-N 1 1 324.341 -1.567 20 0 DAADMO C[C@@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133294708 776665912 /nfs/dbraw/zinc/66/59/12/776665912.db2.gz QFFWVMIIOXLYFD-LLVKDONJSA-N 1 1 315.418 -1.763 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133509261 776666848 /nfs/dbraw/zinc/66/68/48/776666848.db2.gz MVFFIIWKWLRJMW-SNVBAGLBSA-N 1 1 300.363 -1.050 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CCC(=O)N1 ZINC001133468233 776667245 /nfs/dbraw/zinc/66/72/45/776667245.db2.gz XTVULKBVVXNDJS-ZDUSSCGKSA-N 1 1 307.358 -1.118 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cnnn1 ZINC001133616799 776670981 /nfs/dbraw/zinc/67/09/81/776670981.db2.gz XDSYWNKPUBRJRW-RKDXNWHRSA-N 1 1 308.350 -1.730 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cnnn1 ZINC001133616797 776671221 /nfs/dbraw/zinc/67/12/21/776671221.db2.gz XDSYWNKPUBRJRW-DTWKUNHWSA-N 1 1 308.350 -1.730 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CCNC1=O ZINC001133753424 776674944 /nfs/dbraw/zinc/67/49/44/776674944.db2.gz JQLDORJKFWMURN-CYBMUJFWSA-N 1 1 312.349 -1.020 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001133773106 776675349 /nfs/dbraw/zinc/67/53/49/776675349.db2.gz AECVAKXIUJYELQ-VHSXEESVSA-N 1 1 322.369 -1.079 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CCNC1=O ZINC001133755020 776675645 /nfs/dbraw/zinc/67/56/45/776675645.db2.gz YSJCPEGQAVFKFW-CYBMUJFWSA-N 1 1 307.358 -1.260 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133766911 776676517 /nfs/dbraw/zinc/67/65/17/776676517.db2.gz PKGKDUNYFYGXTP-CYBMUJFWSA-N 1 1 309.374 -1.185 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[nH]1 ZINC001133784327 776679113 /nfs/dbraw/zinc/67/91/13/776679113.db2.gz SDLRTSCWPQJMNS-MNOVXSKESA-N 1 1 324.385 -1.045 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001133790548 776679671 /nfs/dbraw/zinc/67/96/71/776679671.db2.gz QONDCLQXCGPAGS-IUCAKERBSA-N 1 1 313.362 -1.061 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nnnn1C1CC1 ZINC001133908479 776680698 /nfs/dbraw/zinc/68/06/98/776680698.db2.gz TUYVHKPTQOLFEP-QNSHHTMESA-N 1 1 307.358 -1.104 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O)c1nnnn1C1CC1 ZINC001133908480 776681177 /nfs/dbraw/zinc/68/11/77/776681177.db2.gz TUYVHKPTQOLFEP-SFGNSQDASA-N 1 1 307.358 -1.104 20 0 DAADMO Cn1ncc(CCC(=O)NCC[NH2+]Cc2nnnn2C2CC2)n1 ZINC001133914427 776683412 /nfs/dbraw/zinc/68/34/12/776683412.db2.gz JEJCCULYYOWVFN-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1nnnn1C ZINC001133921564 776683514 /nfs/dbraw/zinc/68/35/14/776683514.db2.gz JYYMDWRUFKRSKZ-KXUCPTDWSA-N 1 1 309.374 -1.299 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001133943794 776684761 /nfs/dbraw/zinc/68/47/61/776684761.db2.gz VCKZKCDJXDRJBV-BDAKNGLRSA-N 1 1 308.342 -1.865 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001133943696 776684786 /nfs/dbraw/zinc/68/47/86/776684786.db2.gz RWHMCXZPAFINNY-ZJUUUORDSA-N 1 1 306.370 -1.058 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514700 776685351 /nfs/dbraw/zinc/68/53/51/776685351.db2.gz OUPBUJHUPSRBEO-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514700 776685356 /nfs/dbraw/zinc/68/53/56/776685356.db2.gz OUPBUJHUPSRBEO-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC(=O)NC1CC1 ZINC001170717115 776686499 /nfs/dbraw/zinc/68/64/99/776686499.db2.gz FUBRABWGFGYCLI-UHFFFAOYSA-N 1 1 323.357 -1.569 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001134016378 776686703 /nfs/dbraw/zinc/68/67/03/776686703.db2.gz GEPYFSFSSFRYBO-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001134016378 776686706 /nfs/dbraw/zinc/68/67/06/776686706.db2.gz GEPYFSFSSFRYBO-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO CN(CC[NH2+]CCNC(=O)CCc1c[nH]nn1)S(C)(=O)=O ZINC001134016178 776686799 /nfs/dbraw/zinc/68/67/99/776686799.db2.gz AORQCZIHNYUGSI-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO CN(CC[NH2+]CCNC(=O)CCc1cnn[nH]1)S(C)(=O)=O ZINC001134016178 776686805 /nfs/dbraw/zinc/68/68/05/776686805.db2.gz AORQCZIHNYUGSI-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO COCCCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134014658 776687934 /nfs/dbraw/zinc/68/79/34/776687934.db2.gz XHGAOJZGJJWAEE-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO COCCCNC(=O)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134014658 776687937 /nfs/dbraw/zinc/68/79/37/776687937.db2.gz XHGAOJZGJJWAEE-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO CN(CC[NH2+]CCCNC(=O)Cc1nnc[nH]1)S(C)(=O)=O ZINC001170717439 776687954 /nfs/dbraw/zinc/68/79/54/776687954.db2.gz PSGKJGBIBSGFHF-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2c[nH]nn2)CCO1 ZINC001134036812 776688223 /nfs/dbraw/zinc/68/82/23/776688223.db2.gz JQKGDGGMHOOGNY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cnn[nH]2)CCO1 ZINC001134036812 776688229 /nfs/dbraw/zinc/68/82/29/776688229.db2.gz JQKGDGGMHOOGNY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134013903 776688325 /nfs/dbraw/zinc/68/83/25/776688325.db2.gz HKHYJRSVGAUNSX-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134013903 776688330 /nfs/dbraw/zinc/68/83/30/776688330.db2.gz HKHYJRSVGAUNSX-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)Nc1cnccn1 ZINC001170717360 776688396 /nfs/dbraw/zinc/68/83/96/776688396.db2.gz ODCRBDDGFFNUFX-UHFFFAOYSA-N 1 1 318.341 -1.128 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001134014647 776688458 /nfs/dbraw/zinc/68/84/58/776688458.db2.gz XCZDWHMOAWQQAH-UHFFFAOYSA-N 1 1 324.370 -1.067 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cc2nnc[nH]2)CCO1 ZINC001170727204 776688634 /nfs/dbraw/zinc/68/86/34/776688634.db2.gz YPAVHBDBFOWMRP-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725435 776688967 /nfs/dbraw/zinc/68/89/67/776688967.db2.gz DYLVIBJNJKAAGK-QMMMGPOBSA-N 1 1 311.346 -1.713 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001170727001 776689408 /nfs/dbraw/zinc/68/94/08/776689408.db2.gz UQZHSNQADDEKJU-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)nn1 ZINC001134098687 776690826 /nfs/dbraw/zinc/69/08/26/776690826.db2.gz GHYWFDRYXFADTC-SNVBAGLBSA-N 1 1 319.373 -1.340 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099259 776691168 /nfs/dbraw/zinc/69/11/68/776691168.db2.gz OUDVNOSPCDVXQE-VIFPVBQESA-N 1 1 320.361 -1.945 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CN1CN=NC1=O ZINC001134135053 776692502 /nfs/dbraw/zinc/69/25/02/776692502.db2.gz RHKYUMPNLLPBDZ-RKDXNWHRSA-N 1 1 323.361 -1.420 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150720 776694581 /nfs/dbraw/zinc/69/45/81/776694581.db2.gz OYZMBGZPFKVCNJ-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001170735043 776696047 /nfs/dbraw/zinc/69/60/47/776696047.db2.gz WFERZTJRTGDCGT-UHFFFAOYSA-N 1 1 308.342 -1.408 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001134352787 776698095 /nfs/dbraw/zinc/69/80/95/776698095.db2.gz NUWVBDNNXLPQHP-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001134352840 776698633 /nfs/dbraw/zinc/69/86/33/776698633.db2.gz OJCXINQMTCWISX-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nncn1C ZINC001134353351 776698878 /nfs/dbraw/zinc/69/88/78/776698878.db2.gz UEKGYXNDWWWVBV-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001134352837 776699114 /nfs/dbraw/zinc/69/91/14/776699114.db2.gz OIMOOYLPNPRYIN-DTWKUNHWSA-N 1 1 318.403 -1.480 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001134352825 776699855 /nfs/dbraw/zinc/69/98/55/776699855.db2.gz OEUIDTPNBIEIET-ZETCQYMHSA-N 1 1 305.364 -2.646 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134397725 776702876 /nfs/dbraw/zinc/70/28/76/776702876.db2.gz VJDHNCUCDGLGFG-UHFFFAOYSA-N 1 1 303.388 -1.403 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461412 776703094 /nfs/dbraw/zinc/70/30/94/776703094.db2.gz UPNXUJPFVGKARG-VIFPVBQESA-N 1 1 323.357 -1.508 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001134461660 776703342 /nfs/dbraw/zinc/70/33/42/776703342.db2.gz WZVSYIIYVRXEFC-JTQLQIEISA-N 1 1 323.357 -1.337 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1nnnn1C ZINC001134455951 776704523 /nfs/dbraw/zinc/70/45/23/776704523.db2.gz MKQDKLPKFZKLPK-RQJHMYQMSA-N 1 1 310.318 -2.425 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)s1 ZINC001134455268 776704631 /nfs/dbraw/zinc/70/46/31/776704631.db2.gz CKBBDPGBMVFNIU-ZETCQYMHSA-N 1 1 312.355 -1.350 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1nccn1C ZINC001134487033 776706074 /nfs/dbraw/zinc/70/60/74/776706074.db2.gz GMTBSOIOTNEGLI-UHFFFAOYSA-N 1 1 318.403 -1.978 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1C ZINC001134461128 776706256 /nfs/dbraw/zinc/70/62/56/776706256.db2.gz QBZYOLPKYAMQTN-JTQLQIEISA-N 1 1 308.342 -1.468 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001134487720 776707977 /nfs/dbraw/zinc/70/79/77/776707977.db2.gz ZTAJTRVRWVHBTR-UHFFFAOYSA-N 1 1 320.379 -3.188 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CCNS(C)(=O)=O)n1 ZINC001159189742 776710883 /nfs/dbraw/zinc/71/08/83/776710883.db2.gz MSWBRUXBSWTRPM-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001134645094 776715875 /nfs/dbraw/zinc/71/58/75/776715875.db2.gz ZMJAYUTXJWLKLX-JTQLQIEISA-N 1 1 315.399 -1.154 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134696742 776719426 /nfs/dbraw/zinc/71/94/26/776719426.db2.gz JPRDFPWSWCAGCU-UHFFFAOYSA-N 1 1 323.309 -1.391 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[NH2+]Cc2ccon2)C1=O ZINC001134696687 776720201 /nfs/dbraw/zinc/72/02/01/776720201.db2.gz IADALYBISZTNRL-UHFFFAOYSA-N 1 1 309.282 -1.699 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn[nH]1 ZINC001134847484 776724800 /nfs/dbraw/zinc/72/48/00/776724800.db2.gz CIWHPQDHJPDSSL-IUCAKERBSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1cnn[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001134847482 776724842 /nfs/dbraw/zinc/72/48/42/776724842.db2.gz CIWHPQDHJPDSSL-BDAKNGLRSA-N 1 1 318.403 -1.160 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ncc(C)cn1)C(N)=O ZINC001134830029 776724949 /nfs/dbraw/zinc/72/49/49/776724949.db2.gz VHXYRAQQZDMMIN-NSHDSACASA-N 1 1 322.369 -1.629 20 0 DAADMO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001134941351 776728726 /nfs/dbraw/zinc/72/87/26/776728726.db2.gz BWZZJJZHSZXSSI-UHFFFAOYSA-N 1 1 300.338 -1.068 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001134998806 776732768 /nfs/dbraw/zinc/73/27/68/776732768.db2.gz AVIMLUKTOUDNJP-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080341 776735674 /nfs/dbraw/zinc/73/56/74/776735674.db2.gz QTSKVBSRTOLLRN-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135125718 776735791 /nfs/dbraw/zinc/73/57/91/776735791.db2.gz IGWRNBYDJBTEPV-JTQLQIEISA-N 1 1 315.399 -1.340 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001135125578 776735807 /nfs/dbraw/zinc/73/58/07/776735807.db2.gz HAUOXTYDLPLRQK-LLVKDONJSA-N 1 1 315.399 -1.340 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)nn1 ZINC001135129568 776736858 /nfs/dbraw/zinc/73/68/58/776736858.db2.gz KYDJRQWEWGZDHS-JTQLQIEISA-N 1 1 316.387 -1.945 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001090521750 776737617 /nfs/dbraw/zinc/73/76/17/776737617.db2.gz CTUZDVKSDYTCGN-KWQFWETISA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135205729 776742370 /nfs/dbraw/zinc/74/23/70/776742370.db2.gz CYASZPJYXLBZFM-UHFFFAOYSA-N 1 1 303.388 -1.154 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)s1 ZINC001135276700 776745542 /nfs/dbraw/zinc/74/55/42/776745542.db2.gz GEIVTJAHSRCNKJ-UHFFFAOYSA-N 1 1 309.355 -1.110 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)[NH2+]Cc1nnn(C)n1 ZINC001135349320 776751048 /nfs/dbraw/zinc/75/10/48/776751048.db2.gz MDRPXEWELUUVFA-BDAKNGLRSA-N 1 1 309.374 -1.152 20 0 DAADMO C[C@@H](NCCNC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001135352783 776752642 /nfs/dbraw/zinc/75/26/42/776752642.db2.gz RRWRSAIWVYDHSY-LLVKDONJSA-N 1 1 311.390 -1.301 20 0 DAADMO C[C@H](NCCNC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001135352784 776753008 /nfs/dbraw/zinc/75/30/08/776753008.db2.gz RRWRSAIWVYDHSY-NSHDSACASA-N 1 1 311.390 -1.301 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ccon1 ZINC001135384545 776753431 /nfs/dbraw/zinc/75/34/31/776753431.db2.gz GHWGMFOMSLFSOU-LLVKDONJSA-N 1 1 311.342 -1.349 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CC(=O)NC2=O)[nH]1 ZINC001135443866 776755738 /nfs/dbraw/zinc/75/57/38/776755738.db2.gz IFBXYCVDPBJWCD-MRVPVSSYSA-N 1 1 323.357 -1.314 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001135444250 776755927 /nfs/dbraw/zinc/75/59/27/776755927.db2.gz PUBHNEBFPZDUGU-UHFFFAOYSA-N 1 1 321.341 -1.560 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1nncn1C ZINC001135444272 776756225 /nfs/dbraw/zinc/75/62/25/776756225.db2.gz QTNURBLXQPLZIG-MRVPVSSYSA-N 1 1 309.330 -1.866 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)nn1 ZINC001135444460 776756489 /nfs/dbraw/zinc/75/64/89/776756489.db2.gz VFGDXFQATDJRRE-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1ncccn1 ZINC001135444316 776756551 /nfs/dbraw/zinc/75/65/51/776756551.db2.gz QXLSPYVPHYOOTG-VIFPVBQESA-N 1 1 306.326 -1.205 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001135444439 776756579 /nfs/dbraw/zinc/75/65/79/776756579.db2.gz TXNUCBFAALVVFG-UHFFFAOYSA-N 1 1 320.353 -1.413 20 0 DAADMO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ncn[nH]1 ZINC001135523232 776759451 /nfs/dbraw/zinc/75/94/51/776759451.db2.gz CELYBLOJGMVTDK-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1nc[nH]n1 ZINC001135523232 776759459 /nfs/dbraw/zinc/75/94/59/776759459.db2.gz CELYBLOJGMVTDK-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3ncn[nH]3)C2=O)n1 ZINC001135525731 776759635 /nfs/dbraw/zinc/75/96/35/776759635.db2.gz ATXGONMILOHLKP-SECBINFHSA-N 1 1 318.341 -1.337 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1ncn[nH]1 ZINC001135526163 776759967 /nfs/dbraw/zinc/75/99/67/776759967.db2.gz UEBORYYISMICJG-QMMMGPOBSA-N 1 1 310.314 -2.366 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1nc[nH]n1 ZINC001135526163 776759973 /nfs/dbraw/zinc/75/99/73/776759973.db2.gz UEBORYYISMICJG-QMMMGPOBSA-N 1 1 310.314 -2.366 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090523230 776759986 /nfs/dbraw/zinc/75/99/86/776759986.db2.gz OSIFIPIDIJVZNR-QWRGUYRKSA-N 1 1 320.353 -1.479 20 0 DAADMO CC[NH+](CC)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001135511568 776760568 /nfs/dbraw/zinc/76/05/68/776760568.db2.gz SYQYQISTYSTFKL-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090523228 776760651 /nfs/dbraw/zinc/76/06/51/776760651.db2.gz OSIFIPIDIJVZNR-MNOVXSKESA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ncn[nH]1 ZINC001135529382 776762058 /nfs/dbraw/zinc/76/20/58/776762058.db2.gz QFEFWZOAUGKRSA-QWRGUYRKSA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1nc[nH]n1 ZINC001135529382 776762062 /nfs/dbraw/zinc/76/20/62/776762062.db2.gz QFEFWZOAUGKRSA-QWRGUYRKSA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nc2ncccn2n1)c1nnnn1C ZINC001135551039 776762198 /nfs/dbraw/zinc/76/21/98/776762198.db2.gz SISXKCMFOYHPDN-MRVPVSSYSA-N 1 1 316.329 -1.272 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135529030 776762247 /nfs/dbraw/zinc/76/22/47/776762247.db2.gz BTFZCSPTCZBSCY-MRVPVSSYSA-N 1 1 311.346 -1.253 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135529030 776762249 /nfs/dbraw/zinc/76/22/49/776762249.db2.gz BTFZCSPTCZBSCY-MRVPVSSYSA-N 1 1 311.346 -1.253 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2nc3ncccn3n2)n1 ZINC001135550352 776762616 /nfs/dbraw/zinc/76/26/16/776762616.db2.gz FYNWAOCEEIYXLQ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001135668140 776764742 /nfs/dbraw/zinc/76/47/42/776764742.db2.gz MJDXOWLRYIDXIG-UHFFFAOYSA-N 1 1 322.329 -1.832 20 0 DAADMO Cc1ccnn1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098489062 776765155 /nfs/dbraw/zinc/76/51/55/776765155.db2.gz CXJVULXBYKNQCJ-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCn1cnnn1)c1nnnn1C1CC1 ZINC001135681295 776767781 /nfs/dbraw/zinc/76/77/81/776767781.db2.gz GUOHFIGDPFECFY-SECBINFHSA-N 1 1 320.361 -1.148 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001135736014 776769374 /nfs/dbraw/zinc/76/93/74/776769374.db2.gz VCRRKNKIYPVAQF-IUCAKERBSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001135736014 776769382 /nfs/dbraw/zinc/76/93/82/776769382.db2.gz VCRRKNKIYPVAQF-IUCAKERBSA-N 1 1 323.357 -1.157 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001086777058 776771179 /nfs/dbraw/zinc/77/11/79/776771179.db2.gz ZRPXCRVQISOHHY-HBNTYKKESA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nnn(C)n3)C2)n1 ZINC001086780051 776771641 /nfs/dbraw/zinc/77/16/41/776771641.db2.gz QGLBZZBIWWIEGE-DTWKUNHWSA-N 1 1 320.361 -1.578 20 0 DAADMO CCOCCn1cc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001135905837 776772716 /nfs/dbraw/zinc/77/27/16/776772716.db2.gz LEJHKXGPCCCGJX-UHFFFAOYSA-N 1 1 322.373 -1.037 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525622 776774641 /nfs/dbraw/zinc/77/46/41/776774641.db2.gz MHWAMSFZHSFAIZ-KOLCDFICSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525622 776774644 /nfs/dbraw/zinc/77/46/44/776774644.db2.gz MHWAMSFZHSFAIZ-KOLCDFICSA-N 1 1 323.353 -1.977 20 0 DAADMO CCn1cc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)nn1 ZINC001135994127 776776651 /nfs/dbraw/zinc/77/66/51/776776651.db2.gz GNAZUKYLBXXCIL-UHFFFAOYSA-N 1 1 320.357 -1.061 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136018907 776778064 /nfs/dbraw/zinc/77/80/64/776778064.db2.gz BPTXGGAMOIXIBG-UHFFFAOYSA-N 1 1 305.342 -1.332 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001136129784 776780751 /nfs/dbraw/zinc/78/07/51/776780751.db2.gz PROGFRJKHSUMNT-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cncn1 ZINC001136131472 776780903 /nfs/dbraw/zinc/78/09/03/776780903.db2.gz ZPXFLJYUERPONW-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531546 776783012 /nfs/dbraw/zinc/78/30/12/776783012.db2.gz MDLMIMANWBADJE-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531546 776783019 /nfs/dbraw/zinc/78/30/19/776783019.db2.gz MDLMIMANWBADJE-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090532648 776785002 /nfs/dbraw/zinc/78/50/02/776785002.db2.gz DEBYCKKLCMYQSI-OLZOCXBDSA-N 1 1 307.350 -1.284 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090532417 776785406 /nfs/dbraw/zinc/78/54/06/776785406.db2.gz RKEZRFUMKFOBRZ-NWDGAFQWSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090532417 776785411 /nfs/dbraw/zinc/78/54/11/776785411.db2.gz RKEZRFUMKFOBRZ-NWDGAFQWSA-N 1 1 308.338 -1.373 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532300 776785483 /nfs/dbraw/zinc/78/54/83/776785483.db2.gz BDESVQDTUGKAGX-NWDGAFQWSA-N 1 1 309.370 -1.518 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001090533605 776786019 /nfs/dbraw/zinc/78/60/19/776786019.db2.gz JJTIAPAGDPUOBX-NXEZZACHSA-N 1 1 315.761 -1.427 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001090533605 776786027 /nfs/dbraw/zinc/78/60/27/776786027.db2.gz JJTIAPAGDPUOBX-NXEZZACHSA-N 1 1 315.761 -1.427 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc1=O ZINC001090533305 776786145 /nfs/dbraw/zinc/78/61/45/776786145.db2.gz YVCDOLYGVVGHKI-GHMZBOCLSA-N 1 1 308.338 -2.078 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001090533311 776786234 /nfs/dbraw/zinc/78/62/34/776786234.db2.gz YVZSRPCXYVSVJP-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001090533311 776786237 /nfs/dbraw/zinc/78/62/37/776786237.db2.gz YVZSRPCXYVSVJP-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO COC(=O)CNC(=O)CNc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001170950201 776786751 /nfs/dbraw/zinc/78/67/51/776786751.db2.gz CGGLHYSRZHMHNJ-UHFFFAOYSA-N 1 1 322.369 -1.071 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001136339923 776786931 /nfs/dbraw/zinc/78/69/31/776786931.db2.gz YFMVIYACZYKLLP-JTQLQIEISA-N 1 1 314.367 -1.389 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533556 776786954 /nfs/dbraw/zinc/78/69/54/776786954.db2.gz IPEIZIBMTXWXHL-ONGXEEELSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533556 776786959 /nfs/dbraw/zinc/78/69/59/776786959.db2.gz IPEIZIBMTXWXHL-ONGXEEELSA-N 1 1 310.358 -1.857 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001090533606 776787170 /nfs/dbraw/zinc/78/71/70/776787170.db2.gz JJTIAPAGDPUOBX-UWVGGRQHSA-N 1 1 315.761 -1.427 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001090533606 776787173 /nfs/dbraw/zinc/78/71/73/776787173.db2.gz JJTIAPAGDPUOBX-UWVGGRQHSA-N 1 1 315.761 -1.427 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533555 776787185 /nfs/dbraw/zinc/78/71/85/776787185.db2.gz IPEIZIBMTXWXHL-MWLCHTKSSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533555 776787187 /nfs/dbraw/zinc/78/71/87/776787187.db2.gz IPEIZIBMTXWXHL-MWLCHTKSSA-N 1 1 310.358 -1.857 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090538315 776788504 /nfs/dbraw/zinc/78/85/04/776788504.db2.gz QJINEZGWOUXAKV-SFYZADRCSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001090540323 776789804 /nfs/dbraw/zinc/78/98/04/776789804.db2.gz OOZATAYTZJGUTN-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090554040 776790077 /nfs/dbraw/zinc/79/00/77/776790077.db2.gz UPJNSPFJOGNLFL-YPMHNXCESA-N 1 1 309.366 -1.067 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090554038 776790142 /nfs/dbraw/zinc/79/01/42/776790142.db2.gz UPJNSPFJOGNLFL-DGCLKSJQSA-N 1 1 309.366 -1.067 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001090563624 776790906 /nfs/dbraw/zinc/79/09/06/776790906.db2.gz OMISQDXTZHXHCD-IUCAKERBSA-N 1 1 317.371 -1.758 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090576895 776791302 /nfs/dbraw/zinc/79/13/02/776791302.db2.gz OISIKRKLJXWDAF-QWRGUYRKSA-N 1 1 311.338 -1.047 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090566226 776791759 /nfs/dbraw/zinc/79/17/59/776791759.db2.gz KKFQFCBVYZRQJF-MNOVXSKESA-N 1 1 311.338 -1.074 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)[nH]1 ZINC001090574903 776791895 /nfs/dbraw/zinc/79/18/95/776791895.db2.gz ZBRDGRZNJHQLGR-BXKDBHETSA-N 1 1 310.354 -1.339 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090581121 776793535 /nfs/dbraw/zinc/79/35/35/776793535.db2.gz OLVSPVYULVVBIG-CMPLNLGQSA-N 1 1 324.381 -1.492 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1)N1CCC1 ZINC001090588366 776793756 /nfs/dbraw/zinc/79/37/56/776793756.db2.gz CUHLOTNJYOPEON-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1)N1CCC1 ZINC001090588366 776793771 /nfs/dbraw/zinc/79/37/71/776793771.db2.gz CUHLOTNJYOPEON-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090582051 776794011 /nfs/dbraw/zinc/79/40/11/776794011.db2.gz UZCTUDLNXBWUHL-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090582051 776794024 /nfs/dbraw/zinc/79/40/24/776794024.db2.gz UZCTUDLNXBWUHL-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590926 776794346 /nfs/dbraw/zinc/79/43/46/776794346.db2.gz ZFZJWJLPAVBOET-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590926 776794350 /nfs/dbraw/zinc/79/43/50/776794350.db2.gz ZFZJWJLPAVBOET-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1nccn2ccnc12 ZINC001090580411 776794592 /nfs/dbraw/zinc/79/45/92/776794592.db2.gz JRQOQHZMQHIWHD-QWRGUYRKSA-N 1 1 305.338 -1.113 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](O)C1 ZINC001090610855 776795970 /nfs/dbraw/zinc/79/59/70/776795970.db2.gz WBWQMVGWEDWQKV-RKDXNWHRSA-N 1 1 312.326 -2.022 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610995 776796781 /nfs/dbraw/zinc/79/67/81/776796781.db2.gz XSYWBIVXBDQODP-RYUDHWBXSA-N 1 1 324.381 -1.343 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090612085 776797694 /nfs/dbraw/zinc/79/76/94/776797694.db2.gz KQUDMCVTONPOAX-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090612085 776797703 /nfs/dbraw/zinc/79/77/03/776797703.db2.gz KQUDMCVTONPOAX-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](O)C1 ZINC001090639325 776798706 /nfs/dbraw/zinc/79/87/06/776798706.db2.gz XCHKKVPLUNWTII-VXGBXAGGSA-N 1 1 324.385 -1.250 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2cccnn21 ZINC001090631606 776799210 /nfs/dbraw/zinc/79/92/10/776799210.db2.gz UUGWAXCWHUVYCY-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641874 776799273 /nfs/dbraw/zinc/79/92/73/776799273.db2.gz SQTXLYZNDUNQKF-VHSXEESVSA-N 1 1 301.318 -1.440 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641874 776799282 /nfs/dbraw/zinc/79/92/82/776799282.db2.gz SQTXLYZNDUNQKF-VHSXEESVSA-N 1 1 301.318 -1.440 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090640540 776800199 /nfs/dbraw/zinc/80/01/99/776800199.db2.gz JHBVAYYCXOXLSM-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001090640774 776800297 /nfs/dbraw/zinc/80/02/97/776800297.db2.gz KEDASTWUKLETTM-QWRGUYRKSA-N 1 1 321.337 -1.408 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O)N1CCOCC1 ZINC001090640047 776800419 /nfs/dbraw/zinc/80/04/19/776800419.db2.gz FZRIZBUEOJOYHY-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2cccnn21 ZINC001090631607 776800912 /nfs/dbraw/zinc/80/09/12/776800912.db2.gz UUGWAXCWHUVYCY-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090645987 776803162 /nfs/dbraw/zinc/80/31/62/776803162.db2.gz UXWONQDKHHLDRB-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090645987 776803169 /nfs/dbraw/zinc/80/31/69/776803169.db2.gz UXWONQDKHHLDRB-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2nncn2c1 ZINC001090645486 776804177 /nfs/dbraw/zinc/80/41/77/776804177.db2.gz CUOYJAGDYWIYBV-NWDGAFQWSA-N 1 1 305.338 -1.113 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090652291 776806079 /nfs/dbraw/zinc/80/60/79/776806079.db2.gz LVKQPUBLRIUDTI-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090653794 776806478 /nfs/dbraw/zinc/80/64/78/776806478.db2.gz ZWHOIJOGPWXIOX-ZJUUUORDSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090655775 776806574 /nfs/dbraw/zinc/80/65/74/776806574.db2.gz VTWIAJPVPWOUOX-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090655469 776806919 /nfs/dbraw/zinc/80/69/19/776806919.db2.gz RQGZNAPXHLGNCJ-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001090655942 776807773 /nfs/dbraw/zinc/80/77/73/776807773.db2.gz XWNBDUXQQKYGIQ-CMPLNLGQSA-N 1 1 310.354 -1.580 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090655613 776808384 /nfs/dbraw/zinc/80/83/84/776808384.db2.gz SOFPNGVSQKWCNH-DGCLKSJQSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC001090658273 776809846 /nfs/dbraw/zinc/80/98/46/776809846.db2.gz UPOHZQZVUKHYTA-ZJUUUORDSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1nnc[nH]1 ZINC001090657816 776810113 /nfs/dbraw/zinc/81/01/13/776810113.db2.gz IEANFELXRSNJSX-VHSXEESVSA-N 1 1 323.357 -2.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnon1 ZINC001090658774 776810300 /nfs/dbraw/zinc/81/03/00/776810300.db2.gz BCCQXAOKNCINFL-MWLCHTKSSA-N 1 1 324.341 -1.740 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001090657483 776810828 /nfs/dbraw/zinc/81/08/28/776810828.db2.gz BZSSBVVOQOPKCZ-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001090657483 776810837 /nfs/dbraw/zinc/81/08/37/776810837.db2.gz BZSSBVVOQOPKCZ-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001090657483 776810846 /nfs/dbraw/zinc/81/08/46/776810846.db2.gz BZSSBVVOQOPKCZ-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657483 776810852 /nfs/dbraw/zinc/81/08/52/776810852.db2.gz BZSSBVVOQOPKCZ-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657483 776810859 /nfs/dbraw/zinc/81/08/59/776810859.db2.gz BZSSBVVOQOPKCZ-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cc2ncccn2n1 ZINC001090659262 776811591 /nfs/dbraw/zinc/81/15/91/776811591.db2.gz FMZFPPDFTSZMDX-CMPLNLGQSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC001090660213 776813119 /nfs/dbraw/zinc/81/31/19/776813119.db2.gz OXLQEROGPXGFGQ-KOLCDFICSA-N 1 1 307.314 -1.474 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC001090663840 776813847 /nfs/dbraw/zinc/81/38/47/776813847.db2.gz OADPOYXMBGGSNS-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC001090663840 776813854 /nfs/dbraw/zinc/81/38/54/776813854.db2.gz OADPOYXMBGGSNS-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC001090660475 776813987 /nfs/dbraw/zinc/81/39/87/776813987.db2.gz SEODLGORRNNJHD-ZYHUDNBSSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC001090663838 776814087 /nfs/dbraw/zinc/81/40/87/776814087.db2.gz OADPOYXMBGGSNS-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC001090663838 776814099 /nfs/dbraw/zinc/81/40/99/776814099.db2.gz OADPOYXMBGGSNS-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1)N1CCCC1 ZINC001090660773 776814979 /nfs/dbraw/zinc/81/49/79/776814979.db2.gz VNZGQGQZEZHYAJ-JQWIXIFHSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1)N1CCCC1 ZINC001090660773 776814989 /nfs/dbraw/zinc/81/49/89/776814989.db2.gz VNZGQGQZEZHYAJ-JQWIXIFHSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC001090668123 776817068 /nfs/dbraw/zinc/81/70/68/776817068.db2.gz RVSCWNAJOVODDN-YPMHNXCESA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC001090668121 776817203 /nfs/dbraw/zinc/81/72/03/776817203.db2.gz RVSCWNAJOVODDN-DGCLKSJQSA-N 1 1 317.353 -1.067 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)n1 ZINC001090674261 776819812 /nfs/dbraw/zinc/81/98/12/776819812.db2.gz RNNXRUQYMRFLMD-QWHCGFSZSA-N 1 1 324.381 -1.596 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC001090684329 776820723 /nfs/dbraw/zinc/82/07/23/776820723.db2.gz XBUVRVJQYGUTLI-AAEUAGOBSA-N 1 1 309.370 -1.155 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001090676521 776821060 /nfs/dbraw/zinc/82/10/60/776821060.db2.gz PLVDQVLFKHVPQZ-CMPLNLGQSA-N 1 1 310.354 -1.075 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090676945 776821554 /nfs/dbraw/zinc/82/15/54/776821554.db2.gz WETFASYVXVHVCQ-PWSUYJOCSA-N 1 1 310.354 -1.339 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090680366 776821678 /nfs/dbraw/zinc/82/16/78/776821678.db2.gz UWGNMGWGDXIWFX-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001090676522 776822096 /nfs/dbraw/zinc/82/20/96/776822096.db2.gz PLVDQVLFKHVPQZ-JQWIXIFHSA-N 1 1 310.354 -1.075 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)[C@H](O)C2)cn1 ZINC001090708714 776823255 /nfs/dbraw/zinc/82/32/55/776823255.db2.gz XCJNKPRZCOEVQL-VXGBXAGGSA-N 1 1 319.369 -1.168 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)[C@H](O)C2)cn1 ZINC001090708714 776823263 /nfs/dbraw/zinc/82/32/63/776823263.db2.gz XCJNKPRZCOEVQL-VXGBXAGGSA-N 1 1 319.369 -1.168 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001090708713 776823702 /nfs/dbraw/zinc/82/37/02/776823702.db2.gz XCJNKPRZCOEVQL-RYUDHWBXSA-N 1 1 319.369 -1.168 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001090708713 776823712 /nfs/dbraw/zinc/82/37/12/776823712.db2.gz XCJNKPRZCOEVQL-RYUDHWBXSA-N 1 1 319.369 -1.168 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 ZINC001090704560 776826685 /nfs/dbraw/zinc/82/66/85/776826685.db2.gz MZMQMECYGIEBPN-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090709988 776827318 /nfs/dbraw/zinc/82/73/18/776827318.db2.gz RTKBYYRDIPATKG-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090709988 776827329 /nfs/dbraw/zinc/82/73/29/776827329.db2.gz RTKBYYRDIPATKG-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710965 776828099 /nfs/dbraw/zinc/82/80/99/776828099.db2.gz ZFEZIQGNBIPARU-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001090720943 776828485 /nfs/dbraw/zinc/82/84/85/776828485.db2.gz CQXQNOZHNGRVHP-QWRGUYRKSA-N 1 1 321.337 -1.408 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001090722498 776829883 /nfs/dbraw/zinc/82/98/83/776829883.db2.gz MPRIQMMSZSMJMF-UWVGGRQHSA-N 1 1 314.342 -2.576 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)C1=O ZINC001090722499 776830392 /nfs/dbraw/zinc/83/03/92/776830392.db2.gz MPRIQMMSZSMJMF-VHSXEESVSA-N 1 1 314.342 -2.576 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090716562 776831257 /nfs/dbraw/zinc/83/12/57/776831257.db2.gz RCUMTPSBXCXAAJ-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090716562 776831271 /nfs/dbraw/zinc/83/12/71/776831271.db2.gz RCUMTPSBXCXAAJ-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090716562 776831286 /nfs/dbraw/zinc/83/12/86/776831286.db2.gz RCUMTPSBXCXAAJ-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090724080 776831594 /nfs/dbraw/zinc/83/15/94/776831594.db2.gz FCUZNTOECCUJMP-GXSJLCMTSA-N 1 1 320.353 -1.009 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710488 776832256 /nfs/dbraw/zinc/83/22/56/776832256.db2.gz VXMNTRDVRYEHGX-MNOVXSKESA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001090724469 776833111 /nfs/dbraw/zinc/83/31/11/776833111.db2.gz JPSYFKBEFIFKQE-WPRPVWTQSA-N 1 1 322.325 -2.425 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090724083 776834014 /nfs/dbraw/zinc/83/40/14/776834014.db2.gz FCUZNTOECCUJMP-ONGXEEELSA-N 1 1 320.353 -1.009 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001171038668 776837195 /nfs/dbraw/zinc/83/71/95/776837195.db2.gz VTBXUWYGQZANTR-QMMMGPOBSA-N 1 1 323.357 -1.800 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001171038668 776837204 /nfs/dbraw/zinc/83/72/04/776837204.db2.gz VTBXUWYGQZANTR-QMMMGPOBSA-N 1 1 323.357 -1.800 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090766542 776838244 /nfs/dbraw/zinc/83/82/44/776838244.db2.gz FQZLSTFKSHJEAY-QWHCGFSZSA-N 1 1 312.370 -1.313 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115035391 776839094 /nfs/dbraw/zinc/83/90/94/776839094.db2.gz BHVPOAZGKCGAHX-OHBODLIOSA-N 1 1 308.382 -1.307 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@H]3O)nn21 ZINC001090776346 776840931 /nfs/dbraw/zinc/84/09/31/776840931.db2.gz YJNYFZOJOJCBGN-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c(=O)n1C ZINC001090771819 776841500 /nfs/dbraw/zinc/84/15/00/776841500.db2.gz WXGIBECUJWELRK-QWRGUYRKSA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c(=O)n1C ZINC001090771819 776841508 /nfs/dbraw/zinc/84/15/08/776841508.db2.gz WXGIBECUJWELRK-QWRGUYRKSA-N 1 1 315.349 -1.589 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001090771281 776841670 /nfs/dbraw/zinc/84/16/70/776841670.db2.gz PYJPRKRUVWCBFN-RYUDHWBXSA-N 1 1 311.386 -1.148 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090768436 776842233 /nfs/dbraw/zinc/84/22/33/776842233.db2.gz UVIWXLALLAAMSJ-GXFFZTMASA-N 1 1 322.365 -1.402 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090789247 776844038 /nfs/dbraw/zinc/84/40/38/776844038.db2.gz FRDDRFPMFMWLFQ-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001171064827 776845053 /nfs/dbraw/zinc/84/50/53/776845053.db2.gz OIESVIZPYZIWTG-ONGXEEELSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001171064827 776845059 /nfs/dbraw/zinc/84/50/59/776845059.db2.gz OIESVIZPYZIWTG-ONGXEEELSA-N 1 1 306.370 -1.106 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090791576 776845974 /nfs/dbraw/zinc/84/59/74/776845974.db2.gz AZPUFILWOZWJBE-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090793694 776846484 /nfs/dbraw/zinc/84/64/84/776846484.db2.gz LDIIXAPLJHVCAO-KGLIPLIRSA-N 1 1 313.398 -1.211 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090791573 776846513 /nfs/dbraw/zinc/84/65/13/776846513.db2.gz AZPUFILWOZWJBE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090793978 776847170 /nfs/dbraw/zinc/84/71/70/776847170.db2.gz JHHDWQKTMSQYMZ-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090792688 776847805 /nfs/dbraw/zinc/84/78/05/776847805.db2.gz GPTJWSQUFQANNG-VHSXEESVSA-N 1 1 314.342 -2.528 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090795692 776848086 /nfs/dbraw/zinc/84/80/86/776848086.db2.gz YQRFZVUIRPOIBR-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001090795862 776849047 /nfs/dbraw/zinc/84/90/47/776849047.db2.gz ZWXNDGMWFCFQSD-UWVGGRQHSA-N 1 1 314.342 -2.576 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090794666 776849909 /nfs/dbraw/zinc/84/99/09/776849909.db2.gz RSOUICQFLHBGNZ-QWRGUYRKSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090799702 776850440 /nfs/dbraw/zinc/85/04/40/776850440.db2.gz WJTCOBIGLYKYQY-CHWSQXEVSA-N 1 1 309.366 -1.218 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090795146 776852089 /nfs/dbraw/zinc/85/20/89/776852089.db2.gz UNSXCEMIPKKJIE-DTWKUNHWSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090795146 776852096 /nfs/dbraw/zinc/85/20/96/776852096.db2.gz UNSXCEMIPKKJIE-DTWKUNHWSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090799707 776852328 /nfs/dbraw/zinc/85/23/28/776852328.db2.gz WJTCOBIGLYKYQY-QWHCGFSZSA-N 1 1 309.366 -1.218 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]1 ZINC001090807155 776852361 /nfs/dbraw/zinc/85/23/61/776852361.db2.gz YLRJVXWHXJJDRB-STQMWFEESA-N 1 1 324.381 -1.115 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090808202 776852849 /nfs/dbraw/zinc/85/28/49/776852849.db2.gz HKOVINMSWPBWNC-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090808202 776852853 /nfs/dbraw/zinc/85/28/53/776852853.db2.gz HKOVINMSWPBWNC-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC001136976737 776853345 /nfs/dbraw/zinc/85/33/45/776853345.db2.gz ABHWHQLDUCUBBO-IDMWTJEOSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090809061 776854522 /nfs/dbraw/zinc/85/45/22/776854522.db2.gz RCGGDIOPIMPZME-GHMZBOCLSA-N 1 1 320.353 -1.790 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c[nH]1 ZINC001090812462 776854835 /nfs/dbraw/zinc/85/48/35/776854835.db2.gz GNIVVARDGNZLHI-JQWIXIFHSA-N 1 1 310.354 -1.339 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833350 776855678 /nfs/dbraw/zinc/85/56/78/776855678.db2.gz LNLRGHCXPRPLRR-KOLCDFICSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001090813979 776855758 /nfs/dbraw/zinc/85/57/58/776855758.db2.gz ZKLVGXJYSLWDNZ-ZYHUDNBSSA-N 1 1 310.354 -1.075 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001090813978 776856504 /nfs/dbraw/zinc/85/65/04/776856504.db2.gz ZKLVGXJYSLWDNZ-PWSUYJOCSA-N 1 1 310.354 -1.075 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090833352 776856711 /nfs/dbraw/zinc/85/67/11/776856711.db2.gz LNLRGHCXPRPLRR-MWLCHTKSSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090818900 776856847 /nfs/dbraw/zinc/85/68/47/776856847.db2.gz XLZMVTFLCVWQHW-ZIAGYGMSSA-N 1 1 322.413 -1.075 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090818900 776856852 /nfs/dbraw/zinc/85/68/52/776856852.db2.gz XLZMVTFLCVWQHW-ZIAGYGMSSA-N 1 1 322.413 -1.075 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 ZINC001090822714 776857371 /nfs/dbraw/zinc/85/73/71/776857371.db2.gz CASDYLVCGDWOLU-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090820233 776857409 /nfs/dbraw/zinc/85/74/09/776857409.db2.gz OWRPTQKYOIRJOD-OLZOCXBDSA-N 1 1 322.365 -1.272 20 0 DAADMO C[C@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C(N)=O ZINC001287896131 777884175 /nfs/dbraw/zinc/88/41/75/777884175.db2.gz IMBIFANHCWKZOM-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)CC(N)=O ZINC001288065761 777887865 /nfs/dbraw/zinc/88/78/65/777887865.db2.gz AIUNQECMACGBJG-LLVKDONJSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001288065861 777888406 /nfs/dbraw/zinc/88/84/06/777888406.db2.gz BSPPQWVRAXRJLB-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001288116671 777892339 /nfs/dbraw/zinc/89/23/39/777892339.db2.gz NHUPWNVYUIRPLK-DCAQKATOSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001288122593 777894094 /nfs/dbraw/zinc/89/40/94/777894094.db2.gz SHXDISIZRHKXIA-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO COCCN(CCNC(=O)C(N)=O)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001288249897 777897217 /nfs/dbraw/zinc/89/72/17/777897217.db2.gz OLQDGCHTTPRZJB-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289042094 777906339 /nfs/dbraw/zinc/90/63/39/777906339.db2.gz CZPKRGXVINGGRD-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)C(N)=O ZINC001289536457 777910225 /nfs/dbraw/zinc/91/02/25/777910225.db2.gz RHWSEUVFNIDCLB-NXEZZACHSA-N 1 1 300.359 -1.846 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC ZINC001289520056 777910387 /nfs/dbraw/zinc/91/03/87/777910387.db2.gz PEULTCWFOIUOFF-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001290785959 777923159 /nfs/dbraw/zinc/92/31/59/777923159.db2.gz HVUFXNUYHMUMHB-VHSXEESVSA-N 1 1 300.359 -2.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001291744633 777926215 /nfs/dbraw/zinc/92/62/15/777926215.db2.gz AINXEQYEJKKHTD-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)NCC(=O)NCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001292451931 777929661 /nfs/dbraw/zinc/92/96/61/777929661.db2.gz HCWPMQUHFCWTHH-GFCCVEGCSA-N 1 1 324.385 -1.818 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001292584576 777936195 /nfs/dbraw/zinc/93/61/95/777936195.db2.gz ORINUIJCQOLOBQ-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO CN(CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001292584581 777936391 /nfs/dbraw/zinc/93/63/91/777936391.db2.gz OSHAYSPUVCKGSK-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)NC1=O ZINC001292608939 777938449 /nfs/dbraw/zinc/93/84/49/777938449.db2.gz SUXOZVINAPKAGM-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)NC1=O ZINC001292608939 777938456 /nfs/dbraw/zinc/93/84/56/777938456.db2.gz SUXOZVINAPKAGM-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)CCn2cnnn2)CC[N@H+]1C ZINC001292810546 777948273 /nfs/dbraw/zinc/94/82/73/777948273.db2.gz UJXPOXAGXNUYOA-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNC(=O)Cn2ncnn2)C1 ZINC001292785393 777948327 /nfs/dbraw/zinc/94/83/27/777948327.db2.gz KUCQORAKDRHHII-LBPRGKRZSA-N 1 1 323.401 -1.117 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001292981400 777956813 /nfs/dbraw/zinc/95/68/13/777956813.db2.gz AZBUBZMQNKHBOO-MNOVXSKESA-N 1 1 312.370 -1.938 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)Cc1nc[nH]n1 ZINC001292982177 777956842 /nfs/dbraw/zinc/95/68/42/777956842.db2.gz KEQCKKWGBACUPF-UHFFFAOYSA-N 1 1 310.358 -1.698 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001292981088 777956921 /nfs/dbraw/zinc/95/69/21/777956921.db2.gz XYPXQSRESLMXSE-JTQLQIEISA-N 1 1 324.381 -1.244 20 0 DAADMO O=C(Cn1cncn1)NCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001293028126 777958020 /nfs/dbraw/zinc/95/80/20/777958020.db2.gz BETVHRRXMVCONY-AWEZNQCLSA-N 1 1 306.370 -1.004 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)CS(C)(=O)=O ZINC001293179613 777964553 /nfs/dbraw/zinc/96/45/53/777964553.db2.gz QXZXSWGRERLHSE-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO CCn1nncc1C(=O)NCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001293214008 777965993 /nfs/dbraw/zinc/96/59/93/777965993.db2.gz XZORVTMDQKSLCT-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1nncc1C(=O)NCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001293214008 777966001 /nfs/dbraw/zinc/96/60/01/777966001.db2.gz XZORVTMDQKSLCT-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001293337790 777968169 /nfs/dbraw/zinc/96/81/69/777968169.db2.gz FHBDWZPXCRTEKA-SNVBAGLBSA-N 1 1 308.342 -1.505 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)CCS(C)(=O)=O)C1 ZINC001293333358 777968876 /nfs/dbraw/zinc/96/88/76/777968876.db2.gz MUYJELPBVJCPBV-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)c1nnn(C)n1 ZINC001293484801 777970852 /nfs/dbraw/zinc/97/08/52/777970852.db2.gz VVKZMDFGSASOQM-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)Cn2ncnn2)C1 ZINC001294096596 777978839 /nfs/dbraw/zinc/97/88/39/777978839.db2.gz MWNDOWJDPJZPIR-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001294186721 777980126 /nfs/dbraw/zinc/98/01/26/777980126.db2.gz BNFSJMYEMIROMB-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001294186721 777980132 /nfs/dbraw/zinc/98/01/32/777980132.db2.gz BNFSJMYEMIROMB-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC(=O)N1CC[NH+](CCCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001294658259 777986103 /nfs/dbraw/zinc/98/61/03/777986103.db2.gz CGRLQEWUYYKAQW-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001294771509 777990218 /nfs/dbraw/zinc/99/02/18/777990218.db2.gz MMQAWCVTNWPCAN-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1C(=O)CCC1=O ZINC001295496389 778005045 /nfs/dbraw/zinc/00/50/45/778005045.db2.gz GVMAGZJGBXMSPX-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001295751572 778013596 /nfs/dbraw/zinc/01/35/96/778013596.db2.gz IHPAELLINMVJQR-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001297026778 778034147 /nfs/dbraw/zinc/03/41/47/778034147.db2.gz COLUECBWXKNTFN-LLVKDONJSA-N 1 1 322.369 -1.984 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001297091544 778038042 /nfs/dbraw/zinc/03/80/42/778038042.db2.gz DEVNDEJZASWSBQ-JTQLQIEISA-N 1 1 324.381 -1.294 20 0 DAADMO C[N@@H+](CCc1ccccc1)CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC001297129015 778038891 /nfs/dbraw/zinc/03/88/91/778038891.db2.gz QWJOOVFTNTUJJL-UHFFFAOYSA-N 1 1 318.377 -1.027 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(=O)NCC2CC2)C1 ZINC001297149684 778040619 /nfs/dbraw/zinc/04/06/19/778040619.db2.gz LAGVYDSBOVDMQQ-LBPRGKRZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001298149148 778060268 /nfs/dbraw/zinc/06/02/68/778060268.db2.gz PFDOPFGFFYFVNS-CHWSQXEVSA-N 1 1 322.365 -1.379 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC(N)=O)C1CCC1 ZINC001298163770 778061895 /nfs/dbraw/zinc/06/18/95/778061895.db2.gz MGFBTGBVWMOFKV-SNVBAGLBSA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CC(N)=O)CC[N@H+]1C ZINC001298165712 778063087 /nfs/dbraw/zinc/06/30/87/778063087.db2.gz XUGOHEKQTYJFNJ-OPRDCNLKSA-N 1 1 300.359 -2.205 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001298181447 778064753 /nfs/dbraw/zinc/06/47/53/778064753.db2.gz BLWRXUQYEWEALW-NXEZZACHSA-N 1 1 300.359 -2.062 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001298184866 778065502 /nfs/dbraw/zinc/06/55/02/778065502.db2.gz NKFQBYTZCMJKLF-JTQLQIEISA-N 1 1 323.353 -1.950 20 0 DAADMO CCNC(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001298572958 778079566 /nfs/dbraw/zinc/07/95/66/778079566.db2.gz AHHIDWXJSUXCSJ-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CCNC(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001298572958 778079576 /nfs/dbraw/zinc/07/95/76/778079576.db2.gz AHHIDWXJSUXCSJ-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001298650401 778081138 /nfs/dbraw/zinc/08/11/38/778081138.db2.gz CSUFVTJYYSGWLE-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298781871 778085977 /nfs/dbraw/zinc/08/59/77/778085977.db2.gz YBNTZAXLQJVSIM-DTWKUNHWSA-N 1 1 320.340 -1.060 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302503828 778096116 /nfs/dbraw/zinc/09/61/16/778096116.db2.gz NINFZALSCZTZBL-PRHODGIISA-N 1 1 300.315 -2.558 20 0 DAADMO CN1C(=O)CN(CC(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC001303017206 778098473 /nfs/dbraw/zinc/09/84/73/778098473.db2.gz XFZSXRUOUSPHJN-UHFFFAOYSA-N 1 1 316.358 -2.063 20 0 DAADMO CN1CCN(C(=O)c2cn(CC(N)=O)nn2)CC[N@H+](C)CC1 ZINC001304072049 778099357 /nfs/dbraw/zinc/09/93/57/778099357.db2.gz HONYNFGBXUMUKP-UHFFFAOYSA-N 1 1 309.374 -1.917 20 0 DAADMO CN1CCN(C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+](C)CC1 ZINC001304072049 778099364 /nfs/dbraw/zinc/09/93/64/778099364.db2.gz HONYNFGBXUMUKP-UHFFFAOYSA-N 1 1 309.374 -1.917 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC001307619098 778102188 /nfs/dbraw/zinc/10/21/88/778102188.db2.gz WCSOREBNGRAEIX-IUCAKERBSA-N 1 1 304.372 -1.320 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC001307619098 778102190 /nfs/dbraw/zinc/10/21/90/778102190.db2.gz WCSOREBNGRAEIX-IUCAKERBSA-N 1 1 304.372 -1.320 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC001307619080 778102616 /nfs/dbraw/zinc/10/26/16/778102616.db2.gz WCSOREBNGRAEIX-BDAKNGLRSA-N 1 1 304.372 -1.320 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1=O ZINC001307619080 778102621 /nfs/dbraw/zinc/10/26/21/778102621.db2.gz WCSOREBNGRAEIX-BDAKNGLRSA-N 1 1 304.372 -1.320 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)C[C@H]1C(=O)OC ZINC001308154654 778103338 /nfs/dbraw/zinc/10/33/38/778103338.db2.gz YIRMUKBDRVJTCZ-VYUIOLGVSA-N 1 1 303.311 -1.196 20 0 DAADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1COC[C@H]1O ZINC001309226642 778103586 /nfs/dbraw/zinc/10/35/86/778103586.db2.gz QGDBNZBFYOLQLZ-YNEHKIRRSA-N 1 1 322.427 -1.098 20 0 DAADMO Cn1cc([C@H](O)C(=O)NCC[N@@H+](C)CCOCCO)cn1 ZINC001119613290 779508656 /nfs/dbraw/zinc/50/86/56/779508656.db2.gz XOWWVRADUJFVQR-LBPRGKRZSA-N 1 1 300.359 -1.490 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)CC1CN(S(C)(=O)=O)C1 ZINC001119741669 779511643 /nfs/dbraw/zinc/51/16/43/779511643.db2.gz GTYVXNVFRXUQFD-UHFFFAOYSA-N 1 1 307.416 -1.038 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001119895284 779515041 /nfs/dbraw/zinc/51/50/41/779515041.db2.gz IJTGVIVNRKFWJL-GMTAPVOTSA-N 1 1 313.354 -1.499 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001119895284 779515045 /nfs/dbraw/zinc/51/50/45/779515045.db2.gz IJTGVIVNRKFWJL-GMTAPVOTSA-N 1 1 313.354 -1.499 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119992143 779516456 /nfs/dbraw/zinc/51/64/56/779516456.db2.gz AUQDNVWWNXIDGG-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001120296634 779517630 /nfs/dbraw/zinc/51/76/30/779517630.db2.gz KEOOVHWTONUNJD-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001120310439 779518008 /nfs/dbraw/zinc/51/80/08/779518008.db2.gz PJMZDHFYIJWOGP-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(C(=O)N1CC[C@H](O)[C@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120373931 779519261 /nfs/dbraw/zinc/51/92/61/779519261.db2.gz OIDFFNNKMSGTKH-QCNOEVLYSA-N 1 1 315.345 -1.805 20 0 DAADMO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001120456338 779522287 /nfs/dbraw/zinc/52/22/87/779522287.db2.gz UIMJZRWZHYASJM-SYQHCUMBSA-N 1 1 324.425 -1.103 20 0 DAADMO CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120473868 779522502 /nfs/dbraw/zinc/52/25/02/779522502.db2.gz WLEVMISJCBKGNU-UMSGYPCISA-N 1 1 311.382 -1.100 20 0 DAADMO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001120456336 779522563 /nfs/dbraw/zinc/52/25/63/779522563.db2.gz UIMJZRWZHYASJM-AAVRWANBSA-N 1 1 324.425 -1.103 20 0 DAADMO CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120473862 779522581 /nfs/dbraw/zinc/52/25/81/779522581.db2.gz WLEVMISJCBKGNU-LOWDOPEQSA-N 1 1 311.382 -1.100 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001120514988 779523830 /nfs/dbraw/zinc/52/38/30/779523830.db2.gz MBGXGEVKWUQCCG-OLZOCXBDSA-N 1 1 311.430 -1.454 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001121670714 779548216 /nfs/dbraw/zinc/54/82/16/779548216.db2.gz UBGARBDPCDEGQC-SNVBAGLBSA-N 1 1 322.373 -1.252 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC001121922891 779551221 /nfs/dbraw/zinc/55/12/21/779551221.db2.gz RCOJDPDSZRKCPC-GFCCVEGCSA-N 1 1 321.443 -1.152 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC001121922891 779551226 /nfs/dbraw/zinc/55/12/26/779551226.db2.gz RCOJDPDSZRKCPC-GFCCVEGCSA-N 1 1 321.443 -1.152 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001121933460 779553641 /nfs/dbraw/zinc/55/36/41/779553641.db2.gz RGSHMYADQFAVHR-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CCc1nc(N[C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001122438197 779565714 /nfs/dbraw/zinc/56/57/14/779565714.db2.gz PBLSVRQRCHLIEA-UWVGGRQHSA-N 1 1 322.369 -1.082 20 0 DAADMO CC(=O)NCC(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001122674841 779571277 /nfs/dbraw/zinc/57/12/77/779571277.db2.gz COLWERQGWKXJHX-LBPRGKRZSA-N 1 1 324.385 -1.344 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001123235313 779578559 /nfs/dbraw/zinc/57/85/59/779578559.db2.gz KDWOJQYRZZZVEB-UHFFFAOYSA-N 1 1 324.366 -1.370 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001123304055 779580947 /nfs/dbraw/zinc/58/09/47/779580947.db2.gz DWZXVGZNNHSUGQ-UHFFFAOYSA-N 1 1 315.288 -1.564 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001123303893 779581632 /nfs/dbraw/zinc/58/16/32/779581632.db2.gz CYRRLHDPKDNGLU-UHFFFAOYSA-N 1 1 305.346 -1.493 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123348368 779582572 /nfs/dbraw/zinc/58/25/72/779582572.db2.gz XAZKBHWOFKJDDZ-UHFFFAOYSA-N 1 1 309.374 -1.089 20 0 DAADMO O=C(CN1CCCC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001123341532 779582624 /nfs/dbraw/zinc/58/26/24/779582624.db2.gz JNAXREFIIBYJNX-UHFFFAOYSA-N 1 1 307.358 -1.164 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001123731659 779585251 /nfs/dbraw/zinc/58/52/51/779585251.db2.gz JUJXZJQQTNSMBU-UHFFFAOYSA-N 1 1 310.354 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123809406 779585837 /nfs/dbraw/zinc/58/58/37/779585837.db2.gz DEQIVUOSBTUOEJ-UHFFFAOYSA-N 1 1 310.358 -1.508 20 0 DAADMO O=C(CCn1cncn1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001123659854 779585896 /nfs/dbraw/zinc/58/58/96/779585896.db2.gz RPWKXAWOHXIDRC-UHFFFAOYSA-N 1 1 305.346 -1.104 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN(C)S(C)(=O)=O ZINC001123824448 779586539 /nfs/dbraw/zinc/58/65/39/779586539.db2.gz CMPPTEHMFYPKFW-NWDGAFQWSA-N 1 1 318.443 -1.228 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CNC(=O)C1CC1 ZINC001124108209 779591453 /nfs/dbraw/zinc/59/14/53/779591453.db2.gz XKKSVXYQOFKWAH-UHFFFAOYSA-N 1 1 309.374 -1.185 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CS(C)(=O)=O ZINC001124363070 779596241 /nfs/dbraw/zinc/59/62/41/779596241.db2.gz WYGKJCQUILPPLA-UHFFFAOYSA-N 1 1 303.388 -1.143 20 0 DAADMO COc1ccc(C[NH2+]CCNC(=O)CS(C)(=O)=O)nn1 ZINC001124362835 779596282 /nfs/dbraw/zinc/59/62/82/779596282.db2.gz QVNXGTVMXTYFBY-UHFFFAOYSA-N 1 1 302.356 -1.264 20 0 DAADMO COc1cncc(C[NH2+]CCNC(=O)CS(C)(=O)=O)n1 ZINC001124366035 779597071 /nfs/dbraw/zinc/59/70/71/779597071.db2.gz DVHIMROKKSNIHI-UHFFFAOYSA-N 1 1 302.356 -1.264 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124660761 779599086 /nfs/dbraw/zinc/59/90/86/779599086.db2.gz APYCOXNVHVAMBK-VHSXEESVSA-N 1 1 323.353 -1.177 20 0 DAADMO CNC(=O)Cc1noc(CNCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124867643 779604052 /nfs/dbraw/zinc/60/40/52/779604052.db2.gz WWNXFQHVABSISF-SNVBAGLBSA-N 1 1 324.385 -1.342 20 0 DAADMO CCC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124872524 779604674 /nfs/dbraw/zinc/60/46/74/779604674.db2.gz IWVAXDIJXSKSGD-UHFFFAOYSA-N 1 1 300.338 -1.020 20 0 DAADMO Cc1n[nH]c(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1C ZINC001125044434 779606590 /nfs/dbraw/zinc/60/65/90/779606590.db2.gz CDDHVGWMKYNEKU-UHFFFAOYSA-N 1 1 308.342 -1.102 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1nccnc1N ZINC001125033999 779606647 /nfs/dbraw/zinc/60/66/47/779606647.db2.gz JWUMHYQFRSUXRO-UHFFFAOYSA-N 1 1 305.346 -1.025 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001125091070 779607165 /nfs/dbraw/zinc/60/71/65/779607165.db2.gz ZRLMLKGWVKGRMX-UHFFFAOYSA-N 1 1 317.353 -1.197 20 0 DAADMO COC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159272 779611787 /nfs/dbraw/zinc/61/17/87/779611787.db2.gz GWYNICRPYWWCJO-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO CCOCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159075 779611814 /nfs/dbraw/zinc/61/18/14/779611814.db2.gz CQMLLUBPCQRRIR-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(F)F)C1C[NH+](CC(=O)N(C)C)C1 ZINC001276396662 779612026 /nfs/dbraw/zinc/61/20/26/779612026.db2.gz HCVYYSVCTHNGKR-MRVPVSSYSA-N 1 1 320.340 -1.108 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159271 779612520 /nfs/dbraw/zinc/61/25/20/779612520.db2.gz GWYNICRPYWWCJO-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149159946 779613632 /nfs/dbraw/zinc/61/36/32/779613632.db2.gz NUSXTUMTHUJFOS-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001139721458 779613670 /nfs/dbraw/zinc/61/36/70/779613670.db2.gz FXBXEOCANPXKSB-LBPRGKRZSA-N 1 1 321.385 -1.054 20 0 DAADMO CC(=O)N1CC2(C1)C[N@@H+](CC(=O)N(C)C)C[C@@H]2C(=O)N(C)C ZINC001203019468 779615578 /nfs/dbraw/zinc/61/55/78/779615578.db2.gz UYOLTZQOFYJGNZ-GFCCVEGCSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCS(N)(=O)=O ZINC001140237416 779615974 /nfs/dbraw/zinc/61/59/74/779615974.db2.gz URLPABLLBLXNIC-MNOVXSKESA-N 1 1 320.415 -2.204 20 0 DAADMO CC(=O)N1CC2(C1)C[N@@H+](CC(=O)N(C)C)C[C@H]2C(=O)N(C)C ZINC001203019469 779616009 /nfs/dbraw/zinc/61/60/09/779616009.db2.gz UYOLTZQOFYJGNZ-LBPRGKRZSA-N 1 1 310.398 -1.057 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001141325970 779617055 /nfs/dbraw/zinc/61/70/55/779617055.db2.gz BAXYHNLZAIAWII-RNCFNFMXSA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149105121 779618374 /nfs/dbraw/zinc/61/83/74/779618374.db2.gz SQARRHISSRQRLX-SNVBAGLBSA-N 1 1 309.374 -1.135 20 0 DAADMO Nc1ccc[nH+]c1N1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001142086992 779619440 /nfs/dbraw/zinc/61/94/40/779619440.db2.gz DVURFOCPKPOYHH-UHFFFAOYSA-N 1 1 318.337 -1.136 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CNC(=O)c2cccnc2)[C@H]2NCN[C@@H]21 ZINC001142112924 779620578 /nfs/dbraw/zinc/62/05/78/779620578.db2.gz OBJPLYMRQNSWLJ-IJLUTSLNSA-N 1 1 305.342 -2.670 20 0 DAADMO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@H]1CC2CC[NH+]1CC2 ZINC001142635597 779622905 /nfs/dbraw/zinc/62/29/05/779622905.db2.gz OWODORVXTVIHOI-MDVDOTDZSA-N 1 1 316.354 -2.613 20 0 DAADMO C[NH+]1CCN(CCC(=O)NCCC(=O)N2CCOCC2)CC1 ZINC001143223367 779626297 /nfs/dbraw/zinc/62/62/97/779626297.db2.gz AIWCQRSGBYDWRQ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc2ccccn12 ZINC001149275608 779628509 /nfs/dbraw/zinc/62/85/09/779628509.db2.gz ADWSSMBPUOGNAZ-RWMBFGLXSA-N 1 1 301.354 -1.225 20 0 DAADMO C[C@@H](OCC(=O)NCC[NH2+]Cc1nnnn1C)c1nccn1C ZINC001149288104 779628670 /nfs/dbraw/zinc/62/86/70/779628670.db2.gz WYUSCUTUWUBNIJ-SNVBAGLBSA-N 1 1 322.373 -1.073 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CC3)[C@H]2NCN[C@@H]21 ZINC001149344377 779630376 /nfs/dbraw/zinc/63/03/76/779630376.db2.gz ZYWVVVLQKZBXQO-MGPQQGTHSA-N 1 1 316.365 -1.296 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001149334001 779630436 /nfs/dbraw/zinc/63/04/36/779630436.db2.gz XBOQJKDHOZCJIM-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C)c1nnnn1C ZINC001149463417 779631153 /nfs/dbraw/zinc/63/11/53/779631153.db2.gz AQZLMUUTXGNDNX-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001149482646 779632551 /nfs/dbraw/zinc/63/25/51/779632551.db2.gz SXGUGOMMDUCFFT-GFCCVEGCSA-N 1 1 309.370 -1.034 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149465883 779632570 /nfs/dbraw/zinc/63/25/70/779632570.db2.gz JOSXAPAUYQIQRD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149465883 779632573 /nfs/dbraw/zinc/63/25/73/779632573.db2.gz JOSXAPAUYQIQRD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149465927 779632650 /nfs/dbraw/zinc/63/26/50/779632650.db2.gz KSQQJTNNKYFLNM-GHMZBOCLSA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCCO1 ZINC001149466504 779632902 /nfs/dbraw/zinc/63/29/02/779632902.db2.gz VMLSZBSSIBUFEK-WDEREUQCSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCCO1 ZINC001149466504 779632906 /nfs/dbraw/zinc/63/29/06/779632906.db2.gz VMLSZBSSIBUFEK-WDEREUQCSA-N 1 1 312.370 -1.653 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466639 779633086 /nfs/dbraw/zinc/63/30/86/779633086.db2.gz XDIQEUPKAUIBBG-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466639 779633090 /nfs/dbraw/zinc/63/30/90/779633090.db2.gz XDIQEUPKAUIBBG-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488603 779633778 /nfs/dbraw/zinc/63/37/78/779633778.db2.gz BOUBEHMTLIVKOI-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488603 779633790 /nfs/dbraw/zinc/63/37/90/779633790.db2.gz BOUBEHMTLIVKOI-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001149530705 779633958 /nfs/dbraw/zinc/63/39/58/779633958.db2.gz MZQWXOLVLBHJQN-LBPRGKRZSA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001149531284 779634224 /nfs/dbraw/zinc/63/42/24/779634224.db2.gz WYCOQZJBMSUNDY-LLVKDONJSA-N 1 1 313.383 -1.009 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149488945 779634282 /nfs/dbraw/zinc/63/42/82/779634282.db2.gz DECRNJXWKRYQGP-LLVKDONJSA-N 1 1 310.358 -1.639 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2nccn2C)c(=O)n1C ZINC001149571104 779635112 /nfs/dbraw/zinc/63/51/12/779635112.db2.gz OWDGRLWQFDGJTE-UHFFFAOYSA-N 1 1 307.358 -1.470 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2cnns2)c(=O)n1C ZINC001149576400 779635353 /nfs/dbraw/zinc/63/53/53/779635353.db2.gz FRFYZNWKCXJUGV-UHFFFAOYSA-N 1 1 311.371 -1.352 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149546648 779635681 /nfs/dbraw/zinc/63/56/81/779635681.db2.gz QZSFPHUULXLIFX-LBPRGKRZSA-N 1 1 324.385 -1.249 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001149547150 779636177 /nfs/dbraw/zinc/63/61/77/779636177.db2.gz ZVYLCBZFYVNFPZ-ZDUSSCGKSA-N 1 1 309.370 -1.127 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+][C@H](C)c2nnnn2C)c(=O)n1C ZINC001149576593 779636919 /nfs/dbraw/zinc/63/69/19/779636919.db2.gz JLXJJPWRWNYXKZ-MRVPVSSYSA-N 1 1 323.361 -2.119 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)nn1C ZINC001149576909 779637518 /nfs/dbraw/zinc/63/75/18/779637518.db2.gz QALXFSFDVAMBGS-UHFFFAOYSA-N 1 1 321.385 -1.162 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001149598481 779637592 /nfs/dbraw/zinc/63/75/92/779637592.db2.gz AJUQAWSTYGEGQO-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001149598481 779637594 /nfs/dbraw/zinc/63/75/94/779637594.db2.gz AJUQAWSTYGEGQO-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001149599928 779638321 /nfs/dbraw/zinc/63/83/21/779638321.db2.gz MQKSKANXBKQDPF-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001149599690 779638332 /nfs/dbraw/zinc/63/83/32/779638332.db2.gz LJRCTRKUPBJXKP-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001149599690 779638334 /nfs/dbraw/zinc/63/83/34/779638334.db2.gz LJRCTRKUPBJXKP-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001149599693 779638492 /nfs/dbraw/zinc/63/84/92/779638492.db2.gz LJRCTRKUPBJXKP-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001149599693 779638500 /nfs/dbraw/zinc/63/85/00/779638500.db2.gz LJRCTRKUPBJXKP-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149622827 779638934 /nfs/dbraw/zinc/63/89/34/779638934.db2.gz GHFJQGLOMIRUII-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CNc1ccc2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2n1 ZINC001149640845 779639110 /nfs/dbraw/zinc/63/91/10/779639110.db2.gz CPTQMBKIACEMMY-WOPDTQHZSA-N 1 1 317.357 -2.096 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738567 779640587 /nfs/dbraw/zinc/64/05/87/779640587.db2.gz DJMRQYOYAJHBIC-NXEZZACHSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738567 779640593 /nfs/dbraw/zinc/64/05/93/779640593.db2.gz DJMRQYOYAJHBIC-NXEZZACHSA-N 1 1 311.346 -2.246 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c2ccccc21 ZINC001149794823 779642280 /nfs/dbraw/zinc/64/22/80/779642280.db2.gz IOLOTYMYBZLMGI-AGIUHOORSA-N 1 1 301.354 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804589 779642569 /nfs/dbraw/zinc/64/25/69/779642569.db2.gz RMNAIJAMTMXIPL-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804589 779642579 /nfs/dbraw/zinc/64/25/79/779642579.db2.gz RMNAIJAMTMXIPL-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149803630 779642680 /nfs/dbraw/zinc/64/26/80/779642680.db2.gz BHFJHXFFXFWHLW-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c2ccccc21 ZINC001149794826 779642904 /nfs/dbraw/zinc/64/29/04/779642904.db2.gz IOLOTYMYBZLMGI-RWMBFGLXSA-N 1 1 301.354 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804586 779643035 /nfs/dbraw/zinc/64/30/35/779643035.db2.gz RMNAIJAMTMXIPL-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804586 779643041 /nfs/dbraw/zinc/64/30/41/779643041.db2.gz RMNAIJAMTMXIPL-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149817075 779643081 /nfs/dbraw/zinc/64/30/81/779643081.db2.gz LFOCNPYOUWAKHX-LLVKDONJSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149816450 779643187 /nfs/dbraw/zinc/64/31/87/779643187.db2.gz AXLXUIOGEQXEPF-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149816825 779643398 /nfs/dbraw/zinc/64/33/98/779643398.db2.gz HHPIPEPMINWUKD-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149816825 779643403 /nfs/dbraw/zinc/64/34/03/779643403.db2.gz HHPIPEPMINWUKD-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001149905037 779644571 /nfs/dbraw/zinc/64/45/71/779644571.db2.gz XPMLWOYLRZVHCG-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001149855417 779644625 /nfs/dbraw/zinc/64/46/25/779644625.db2.gz YPAQJOBZIVJCQV-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001149855417 779644627 /nfs/dbraw/zinc/64/46/27/779644627.db2.gz YPAQJOBZIVJCQV-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149930876 779646325 /nfs/dbraw/zinc/64/63/25/779646325.db2.gz UJWHJNWFPSIPAH-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@H+](CCF)CCCO2)c1=O ZINC001149921284 779646421 /nfs/dbraw/zinc/64/64/21/779646421.db2.gz MDBFLRQOFGIKHE-LLVKDONJSA-N 1 1 315.349 -1.242 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CCF)CCCO2)c1=O ZINC001149921284 779646427 /nfs/dbraw/zinc/64/64/27/779646427.db2.gz MDBFLRQOFGIKHE-LLVKDONJSA-N 1 1 315.349 -1.242 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001149930707 779646633 /nfs/dbraw/zinc/64/66/33/779646633.db2.gz RTVIPKPCYGLPJE-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149946962 779646781 /nfs/dbraw/zinc/64/67/81/779646781.db2.gz RPYKKLMHBVAILL-LBPRGKRZSA-N 1 1 314.386 -1.399 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001206632795 779646914 /nfs/dbraw/zinc/64/69/14/779646914.db2.gz UFRWJNFYHDDZQI-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCC(=O)N1CCOCC1 ZINC001150051547 779647346 /nfs/dbraw/zinc/64/73/46/779647346.db2.gz FRRDODIXRUWMHY-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150079963 779647387 /nfs/dbraw/zinc/64/73/87/779647387.db2.gz YMPXYNPJPNWCBD-GFCCVEGCSA-N 1 1 314.386 -2.382 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCC(=O)N2CCOCC2)[nH]1 ZINC001150052442 779647785 /nfs/dbraw/zinc/64/77/85/779647785.db2.gz ZIVQESPLWNIOTE-UHFFFAOYSA-N 1 1 324.385 -1.042 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)n1)c1nncn1C ZINC001150130586 779648428 /nfs/dbraw/zinc/64/84/28/779648428.db2.gz UCKQEQZEGTYQDT-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150141721 779649838 /nfs/dbraw/zinc/64/98/38/779649838.db2.gz GTYIOKYZMHXODZ-UHFFFAOYSA-N 1 1 320.357 -1.133 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213264 779650615 /nfs/dbraw/zinc/65/06/15/779650615.db2.gz YCUWKOGEEYGYPP-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213264 779650618 /nfs/dbraw/zinc/65/06/18/779650618.db2.gz YCUWKOGEEYGYPP-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220239 779650865 /nfs/dbraw/zinc/65/08/65/779650865.db2.gz UAHOLGABKPZDBV-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nccnc1C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219263 779650877 /nfs/dbraw/zinc/65/08/77/779650877.db2.gz NLUOESFJZZZTBM-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1nccnc1C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219263 779650883 /nfs/dbraw/zinc/65/08/83/779650883.db2.gz NLUOESFJZZZTBM-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)CCCO1 ZINC001150217997 779650903 /nfs/dbraw/zinc/65/09/03/779650903.db2.gz DPHMBZUJNISQLT-SNVBAGLBSA-N 1 1 313.358 -2.296 20 0 DAADMO Cc1ncc(C[N@@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150219666 779651232 /nfs/dbraw/zinc/65/12/32/779651232.db2.gz QEVXMGLBQHRCSG-GFCCVEGCSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1ncc(C[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150219666 779651235 /nfs/dbraw/zinc/65/12/35/779651235.db2.gz QEVXMGLBQHRCSG-GFCCVEGCSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232132 779651400 /nfs/dbraw/zinc/65/14/00/779651400.db2.gz ABPMHYLQKRLXJC-HTQZYQBOSA-N 1 1 315.330 -2.738 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232132 779651406 /nfs/dbraw/zinc/65/14/06/779651406.db2.gz ABPMHYLQKRLXJC-HTQZYQBOSA-N 1 1 315.330 -2.738 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001150340092 779655116 /nfs/dbraw/zinc/65/51/16/779655116.db2.gz WICDKCJWRRHJLB-ZETCQYMHSA-N 1 1 309.330 -1.568 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)nn1 ZINC001150349760 779655350 /nfs/dbraw/zinc/65/53/50/779655350.db2.gz FCLLBEAAPULVEW-UHFFFAOYSA-N 1 1 323.357 -1.383 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)s1 ZINC001150339633 779655358 /nfs/dbraw/zinc/65/53/58/779655358.db2.gz PLHMMRHTDSRQNX-UHFFFAOYSA-N 1 1 312.355 -1.396 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O)c1nncn1C ZINC001150398771 779656166 /nfs/dbraw/zinc/65/61/66/779656166.db2.gz AURPXIJARNXDBD-BDAKNGLRSA-N 1 1 323.357 -1.430 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001150399514 779656738 /nfs/dbraw/zinc/65/67/38/779656738.db2.gz GJFPVUJSWPANNC-VIFPVBQESA-N 1 1 309.330 -1.991 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150380322 779656752 /nfs/dbraw/zinc/65/67/52/779656752.db2.gz ROBPKWQAHWJMSC-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001150386460 779656766 /nfs/dbraw/zinc/65/67/66/779656766.db2.gz MSMJJTGXQIPRRL-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410151 779657862 /nfs/dbraw/zinc/65/78/62/779657862.db2.gz IMPJYRBQWIOCSN-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410151 779657867 /nfs/dbraw/zinc/65/78/67/779657867.db2.gz IMPJYRBQWIOCSN-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410152 779658172 /nfs/dbraw/zinc/65/81/72/779658172.db2.gz IMPJYRBQWIOCSN-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410152 779658174 /nfs/dbraw/zinc/65/81/74/779658174.db2.gz IMPJYRBQWIOCSN-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)n1 ZINC001150444321 779659249 /nfs/dbraw/zinc/65/92/49/779659249.db2.gz MRCUETHIDUNSGI-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001150461564 779660387 /nfs/dbraw/zinc/66/03/87/779660387.db2.gz GHBBUYNTXIQQKA-WDEREUQCSA-N 1 1 314.342 -1.102 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CCC1=O)c1nnnn1C ZINC001150466854 779660530 /nfs/dbraw/zinc/66/05/30/779660530.db2.gz NFLMZHMXUPYGNL-MRVPVSSYSA-N 1 1 309.330 -1.874 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CCC1=O)c1nnnn1C ZINC001150466855 779660885 /nfs/dbraw/zinc/66/08/85/779660885.db2.gz NFLMZHMXUPYGNL-QMMMGPOBSA-N 1 1 309.330 -1.874 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496540 779662197 /nfs/dbraw/zinc/66/21/97/779662197.db2.gz CCBHXXUBWKVNRO-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCCN2C(=O)CNC2=O)n1 ZINC001150532592 779662249 /nfs/dbraw/zinc/66/22/49/779662249.db2.gz BCICNXAJJXQMIX-UHFFFAOYSA-N 1 1 323.357 -1.647 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCCN1C(=O)CNC1=O ZINC001150532899 779662416 /nfs/dbraw/zinc/66/24/16/779662416.db2.gz LXBDWXQYLDPBQI-UHFFFAOYSA-N 1 1 323.357 -1.647 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579333 779663168 /nfs/dbraw/zinc/66/31/68/779663168.db2.gz MCKTZRSBNQNSMQ-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579333 779663173 /nfs/dbraw/zinc/66/31/73/779663173.db2.gz MCKTZRSBNQNSMQ-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150686214 779664376 /nfs/dbraw/zinc/66/43/76/779664376.db2.gz XLZQLCUNMCUXEV-NSHDSACASA-N 1 1 313.354 -1.665 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150693962 779664681 /nfs/dbraw/zinc/66/46/81/779664681.db2.gz YCGBZMVIHSGUCJ-NSHDSACASA-N 1 1 302.375 -1.102 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150698744 779664733 /nfs/dbraw/zinc/66/47/33/779664733.db2.gz AEKSRMPYXYLXRR-NWDGAFQWSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150698744 779664739 /nfs/dbraw/zinc/66/47/39/779664739.db2.gz AEKSRMPYXYLXRR-NWDGAFQWSA-N 1 1 322.369 -1.626 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150700134 779664965 /nfs/dbraw/zinc/66/49/65/779664965.db2.gz SXDNUTHBIQRGDN-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150700134 779664966 /nfs/dbraw/zinc/66/49/66/779664966.db2.gz SXDNUTHBIQRGDN-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150678704 779665058 /nfs/dbraw/zinc/66/50/58/779665058.db2.gz NAODCYZVNRYROZ-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150678704 779665063 /nfs/dbraw/zinc/66/50/63/779665063.db2.gz NAODCYZVNRYROZ-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691443 779665615 /nfs/dbraw/zinc/66/56/15/779665615.db2.gz CUDWHKNNHIYVBU-ZJUUUORDSA-N 1 1 315.374 -1.874 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691443 779665617 /nfs/dbraw/zinc/66/56/17/779665617.db2.gz CUDWHKNNHIYVBU-ZJUUUORDSA-N 1 1 315.374 -1.874 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150830747 779665941 /nfs/dbraw/zinc/66/59/41/779665941.db2.gz IWPOQKCVYJBAPT-MNOVXSKESA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810524 779666563 /nfs/dbraw/zinc/66/65/63/779666563.db2.gz FPPDFDSBXNLTJH-WDEREUQCSA-N 1 1 314.386 -1.277 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810524 779666567 /nfs/dbraw/zinc/66/65/67/779666567.db2.gz FPPDFDSBXNLTJH-WDEREUQCSA-N 1 1 314.386 -1.277 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150830749 779666811 /nfs/dbraw/zinc/66/68/11/779666811.db2.gz IWPOQKCVYJBAPT-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150825581 779666826 /nfs/dbraw/zinc/66/68/26/779666826.db2.gz VJIRMGXGHIXPJE-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150825581 779666830 /nfs/dbraw/zinc/66/68/30/779666830.db2.gz VJIRMGXGHIXPJE-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810522 779666882 /nfs/dbraw/zinc/66/68/82/779666882.db2.gz FPPDFDSBXNLTJH-MNOVXSKESA-N 1 1 314.386 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810522 779666888 /nfs/dbraw/zinc/66/68/88/779666888.db2.gz FPPDFDSBXNLTJH-MNOVXSKESA-N 1 1 314.386 -1.277 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150731110 779667173 /nfs/dbraw/zinc/66/71/73/779667173.db2.gz CYQNMMUIDOZUEM-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CCn1nc2c(c1C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)CCCC2 ZINC001150854846 779667883 /nfs/dbraw/zinc/66/78/83/779667883.db2.gz KBHFOHPKEMXLMZ-UBHSHLNASA-N 1 1 319.413 -1.086 20 0 DAADMO Cc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cn2c1 ZINC001150893918 779667987 /nfs/dbraw/zinc/66/79/87/779667987.db2.gz ZQZHCTFEMRLSFI-AVGNSLFASA-N 1 1 301.354 -1.225 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)c1nncn1C ZINC001150983779 779669224 /nfs/dbraw/zinc/66/92/24/779669224.db2.gz DOEHNNNHVDQGEE-QMMMGPOBSA-N 1 1 321.341 -1.305 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNCc2nnc3n2CCOC3)C1 ZINC001151049479 779669585 /nfs/dbraw/zinc/66/95/85/779669585.db2.gz QBWPMLDWBAZSDZ-NSHDSACASA-N 1 1 308.386 -1.034 20 0 DAADMO Cc1noc2nc(C)cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c12 ZINC001151053705 779671719 /nfs/dbraw/zinc/67/17/19/779671719.db2.gz KOCVUTSDEFOKBW-SDDRHHMPSA-N 1 1 317.353 -1.028 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)Cc1nc2ncccn2n1 ZINC001151055950 779671881 /nfs/dbraw/zinc/67/18/81/779671881.db2.gz IWMHHAZUQJWEBS-UHFFFAOYSA-N 1 1 315.341 -1.299 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001151159914 779672379 /nfs/dbraw/zinc/67/23/79/779672379.db2.gz VIZLWQMRVBLMKV-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151159472 779672743 /nfs/dbraw/zinc/67/27/43/779672743.db2.gz UCYOLIABUVTNQQ-LBPRGKRZSA-N 1 1 300.403 -1.203 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001151156442 779673337 /nfs/dbraw/zinc/67/33/37/779673337.db2.gz CQHOOWBICIUXII-LBPRGKRZSA-N 1 1 321.443 -1.295 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001151159273 779673454 /nfs/dbraw/zinc/67/34/54/779673454.db2.gz RIGAUUQHGTVQCV-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151299806 779674091 /nfs/dbraw/zinc/67/40/91/779674091.db2.gz GHZWKMMOKPJMON-VIFPVBQESA-N 1 1 302.360 -2.287 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cncc(C(N)=O)c2)n1 ZINC001151293435 779674299 /nfs/dbraw/zinc/67/42/99/779674299.db2.gz RSDQTEKLWZQQNN-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)on1 ZINC001151299831 779674312 /nfs/dbraw/zinc/67/43/12/779674312.db2.gz GWFIOMNVYKRYNK-SECBINFHSA-N 1 1 318.355 -1.419 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299072 779674445 /nfs/dbraw/zinc/67/44/45/779674445.db2.gz AFTLNZWOBJTJPE-JTQLQIEISA-N 1 1 315.399 -1.200 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001151299861 779674603 /nfs/dbraw/zinc/67/46/03/779674603.db2.gz HPKHCTPIHJWENL-RKDXNWHRSA-N 1 1 316.387 -1.726 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ncccn1 ZINC001151306490 779675765 /nfs/dbraw/zinc/67/57/65/779675765.db2.gz IZDCCDTXWXBXOC-VHSXEESVSA-N 1 1 313.383 -1.065 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)n1 ZINC001151372494 779676752 /nfs/dbraw/zinc/67/67/52/779676752.db2.gz BPUFDEUIQHJUKT-UHFFFAOYSA-N 1 1 304.376 -1.947 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001151379980 779678017 /nfs/dbraw/zinc/67/80/17/779678017.db2.gz ZWIDPMHSRTWPDV-UHFFFAOYSA-N 1 1 303.388 -1.516 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)n1 ZINC001151379552 779678023 /nfs/dbraw/zinc/67/80/23/779678023.db2.gz JHLWKVURULIEFN-UHFFFAOYSA-N 1 1 303.388 -1.342 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncc(Cl)n1C ZINC001151379645 779678045 /nfs/dbraw/zinc/67/80/45/779678045.db2.gz MIOWJLYMVWKYQQ-UHFFFAOYSA-N 1 1 323.806 -1.172 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001151379705 779678051 /nfs/dbraw/zinc/67/80/51/779678051.db2.gz PHEKOFHPMBVVAH-UHFFFAOYSA-N 1 1 301.372 -1.460 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151390516 779678103 /nfs/dbraw/zinc/67/81/03/779678103.db2.gz JFCHDUANHYFTFD-UHFFFAOYSA-N 1 1 319.391 -2.162 20 0 DAADMO COCCC1(NC(=O)Cc2nc[nH]n2)CC[NH+](CC(N)=O)CC1 ZINC001151398690 779678458 /nfs/dbraw/zinc/67/84/58/779678458.db2.gz DRLVOMNAPOSVBE-UHFFFAOYSA-N 1 1 324.385 -1.180 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccsc1 ZINC001151471407 779679259 /nfs/dbraw/zinc/67/92/59/779679259.db2.gz CMBSZQLRLMVLIN-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(ncnc3Cl)[nH]2)[C@H]2NCN[C@H]21 ZINC001151568788 779679754 /nfs/dbraw/zinc/67/97/54/779679754.db2.gz OVAIMBDUSLTUMH-JVUFJMBOSA-N 1 1 322.760 -1.256 20 0 DAADMO CC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1CCCC1=O ZINC001151540572 779679854 /nfs/dbraw/zinc/67/98/54/779679854.db2.gz SRIQVRZUSAXZOR-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001151587101 779680586 /nfs/dbraw/zinc/68/05/86/779680586.db2.gz PZBVGBFGENWXFV-NSHDSACASA-N 1 1 313.383 -1.009 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCS2(=O)=O)nn1 ZINC001151672930 779681174 /nfs/dbraw/zinc/68/11/74/779681174.db2.gz INGNVQWHRCSXAL-SNVBAGLBSA-N 1 1 301.372 -1.402 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001151707844 779681703 /nfs/dbraw/zinc/68/17/03/779681703.db2.gz QVRKOMVOWMSLJL-SECBINFHSA-N 1 1 304.358 -1.056 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001151713350 779682267 /nfs/dbraw/zinc/68/22/67/779682267.db2.gz JEKZIRDVMGHCSC-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001151713350 779682273 /nfs/dbraw/zinc/68/22/73/779682273.db2.gz JEKZIRDVMGHCSC-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C1=COCCO1 ZINC001151698392 779682478 /nfs/dbraw/zinc/68/24/78/779682478.db2.gz FLFXLGNUUNLYDL-SECBINFHSA-N 1 1 314.342 -1.104 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C1=COCCO1 ZINC001151698392 779682480 /nfs/dbraw/zinc/68/24/80/779682480.db2.gz FLFXLGNUUNLYDL-SECBINFHSA-N 1 1 314.342 -1.104 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN[C@@H](C)c2nnnn2C)C1 ZINC001151736895 779682719 /nfs/dbraw/zinc/68/27/19/779682719.db2.gz AKIQJKVOIYWSET-WDEREUQCSA-N 1 1 311.390 -1.302 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN[C@@H](C)c2nnnn2C)C1 ZINC001151736895 779682722 /nfs/dbraw/zinc/68/27/22/779682722.db2.gz AKIQJKVOIYWSET-WDEREUQCSA-N 1 1 311.390 -1.302 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814276 779683671 /nfs/dbraw/zinc/68/36/71/779683671.db2.gz VQLGKKBYXSMXPC-GHMZBOCLSA-N 1 1 300.363 -1.493 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3n[nH]cc3c2F)[C@H]2NCN[C@@H]21 ZINC001151846322 779685220 /nfs/dbraw/zinc/68/52/20/779685220.db2.gz KBLXXVZJUVQXJW-IJLUTSLNSA-N 1 1 305.317 -1.165 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001151973334 779685227 /nfs/dbraw/zinc/68/52/27/779685227.db2.gz HJXCLRYFNWCJJA-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001151973334 779685229 /nfs/dbraw/zinc/68/52/29/779685229.db2.gz HJXCLRYFNWCJJA-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)c1ccccn1 ZINC001152067609 779687213 /nfs/dbraw/zinc/68/72/13/779687213.db2.gz VHXRXIHVVUTUOC-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)c1nnnn1C ZINC001152154692 779687296 /nfs/dbraw/zinc/68/72/96/779687296.db2.gz BXWDZAABMHMVCD-UWVGGRQHSA-N 1 1 319.373 -1.169 20 0 DAADMO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152164953 779688340 /nfs/dbraw/zinc/68/83/40/779688340.db2.gz MBRKMGAFBGNIHZ-LLVKDONJSA-N 1 1 310.416 -1.134 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152164953 779688345 /nfs/dbraw/zinc/68/83/45/779688345.db2.gz MBRKMGAFBGNIHZ-LLVKDONJSA-N 1 1 310.416 -1.134 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409913 779691747 /nfs/dbraw/zinc/69/17/47/779691747.db2.gz PPZOCJNYRAICII-UHFFFAOYSA-N 1 1 308.306 -3.194 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152409968 779691877 /nfs/dbraw/zinc/69/18/77/779691877.db2.gz RBMFRDXIQYNLOX-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001152415213 779692209 /nfs/dbraw/zinc/69/22/09/779692209.db2.gz ZCDZCWVLZBNYTK-SSDOTTSWSA-N 1 1 321.345 -1.729 20 0 DAADMO CC[N@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)CC(N)=O ZINC001152499934 779692679 /nfs/dbraw/zinc/69/26/79/779692679.db2.gz COSHEAXIJKRRIC-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)CC(N)=O ZINC001152499934 779692689 /nfs/dbraw/zinc/69/26/89/779692689.db2.gz COSHEAXIJKRRIC-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)CC(N)=O ZINC001152499863 779692814 /nfs/dbraw/zinc/69/28/14/779692814.db2.gz BTGXILGWQLTWFW-LLVKDONJSA-N 1 1 316.402 -1.159 20 0 DAADMO CC[N@@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)CC(N)=O ZINC001152499863 779692817 /nfs/dbraw/zinc/69/28/17/779692817.db2.gz BTGXILGWQLTWFW-LLVKDONJSA-N 1 1 316.402 -1.159 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152609894 779693938 /nfs/dbraw/zinc/69/39/38/779693938.db2.gz NTWVTYIZZRQWHE-SECBINFHSA-N 1 1 303.388 -1.298 20 0 DAADMO CC[N@@H+](C[C@H](O)Cn1cccn1)[C@H](C)CNC(=O)CC(N)=O ZINC001152506879 779694025 /nfs/dbraw/zinc/69/40/25/779694025.db2.gz MNVWLLVYCOEXFU-NEPJUHHUSA-N 1 1 311.386 -1.054 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1)c1nnnn1C ZINC001152511244 779694265 /nfs/dbraw/zinc/69/42/65/779694265.db2.gz YHBUUNKFBHEAQY-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152507273 779694655 /nfs/dbraw/zinc/69/46/55/779694655.db2.gz WWQPBRWIXPRTET-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152609895 779694681 /nfs/dbraw/zinc/69/46/81/779694681.db2.gz NTWVTYIZZRQWHE-VIFPVBQESA-N 1 1 303.388 -1.298 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001152801949 779698694 /nfs/dbraw/zinc/69/86/94/779698694.db2.gz KSIVJEGKHOHGAJ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001152801949 779698695 /nfs/dbraw/zinc/69/86/95/779698695.db2.gz KSIVJEGKHOHGAJ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CN1c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ccc2CC1=O ZINC001152828898 779698710 /nfs/dbraw/zinc/69/87/10/779698710.db2.gz DQPNFLPKHBVDLL-RDBSUJKOSA-N 1 1 316.365 -1.662 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152847971 779698723 /nfs/dbraw/zinc/69/87/23/779698723.db2.gz DPBFMIXPQDVNAD-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1COCCN1C ZINC001152834954 779698731 /nfs/dbraw/zinc/69/87/31/779698731.db2.gz GDCRMYRFGUQZHH-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1COCCN1C ZINC001152834954 779698732 /nfs/dbraw/zinc/69/87/32/779698732.db2.gz GDCRMYRFGUQZHH-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)CNC3=O)[C@H]2NCN[C@@H]21 ZINC001152779857 779698786 /nfs/dbraw/zinc/69/87/86/779698786.db2.gz DDBBVPYDURHUMR-IJLUTSLNSA-N 1 1 302.338 -1.937 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925522 779699857 /nfs/dbraw/zinc/69/98/57/779699857.db2.gz CIXUNOYHKDMDKC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001153071751 779701073 /nfs/dbraw/zinc/70/10/73/779701073.db2.gz YUOOCXXEZMJSKS-HTQZYQBOSA-N 1 1 315.330 -1.884 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001153071751 779701076 /nfs/dbraw/zinc/70/10/76/779701076.db2.gz YUOOCXXEZMJSKS-HTQZYQBOSA-N 1 1 315.330 -1.884 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001153070303 779701571 /nfs/dbraw/zinc/70/15/71/779701571.db2.gz BMMZMYOUEJXAPC-MXWKQRLJSA-N 1 1 303.359 -1.071 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccnc1C(N)=O)CCOCCO ZINC001153234222 779703335 /nfs/dbraw/zinc/70/33/35/779703335.db2.gz XEGUSHJESIOUOE-UHFFFAOYSA-N 1 1 310.354 -1.149 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153368406 779703448 /nfs/dbraw/zinc/70/34/48/779703448.db2.gz MXLQGMCFAJCVLL-MNOVXSKESA-N 1 1 300.363 -1.493 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001153331773 779703733 /nfs/dbraw/zinc/70/37/33/779703733.db2.gz VMFCMXRJOIJOSL-VIFPVBQESA-N 1 1 312.378 -1.357 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001153490897 779704269 /nfs/dbraw/zinc/70/42/69/779704269.db2.gz FPWXIZAODGMFTK-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001153490897 779704273 /nfs/dbraw/zinc/70/42/73/779704273.db2.gz FPWXIZAODGMFTK-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445702 779704399 /nfs/dbraw/zinc/70/43/99/779704399.db2.gz GHYOQBBWJDLMCN-ZJUUUORDSA-N 1 1 312.374 -1.416 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2ccc(C(N)=O)nc2)n1 ZINC001153515272 779705098 /nfs/dbraw/zinc/70/50/98/779705098.db2.gz UQVLHISHEFMQMK-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O)c1nnnn1C ZINC001153586484 779706345 /nfs/dbraw/zinc/70/63/45/779706345.db2.gz UDSXEORMBRTYAL-IUCAKERBSA-N 1 1 310.362 -1.480 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NC(=O)COC ZINC001153533520 779706514 /nfs/dbraw/zinc/70/65/14/779706514.db2.gz WDAAADYZYNWOFP-NXEZZACHSA-N 1 1 302.375 -1.551 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NC(=O)COC ZINC001153533520 779706519 /nfs/dbraw/zinc/70/65/19/779706519.db2.gz WDAAADYZYNWOFP-NXEZZACHSA-N 1 1 302.375 -1.551 20 0 DAADMO Cn1c2ccccc2nc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001153646455 779707462 /nfs/dbraw/zinc/70/74/62/779707462.db2.gz XEUKQJRVWOHMFH-WOPDTQHZSA-N 1 1 301.354 -1.294 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001153599163 779707688 /nfs/dbraw/zinc/70/76/88/779707688.db2.gz WSEARLMKCDURPI-NSHDSACASA-N 1 1 324.385 -1.294 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001153598186 779707819 /nfs/dbraw/zinc/70/78/19/779707819.db2.gz LYEFAYYKROSZOK-NSHDSACASA-N 1 1 324.385 -1.294 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001153688953 779708278 /nfs/dbraw/zinc/70/82/78/779708278.db2.gz RRZWUSISQDFRJP-SNVBAGLBSA-N 1 1 302.375 -1.597 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001153688953 779708282 /nfs/dbraw/zinc/70/82/82/779708282.db2.gz RRZWUSISQDFRJP-SNVBAGLBSA-N 1 1 302.375 -1.597 20 0 DAADMO Cn1ncc2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c21 ZINC001153692400 779709110 /nfs/dbraw/zinc/70/91/10/779709110.db2.gz SOHADJCOGRMVCP-KGYLQXTDSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001153710542 779709346 /nfs/dbraw/zinc/70/93/46/779709346.db2.gz ZBKSZPVEVKHYRX-LLVKDONJSA-N 1 1 312.370 -1.634 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001153733808 779709577 /nfs/dbraw/zinc/70/95/77/779709577.db2.gz IVZDOOGSZGLTOA-ZJUUUORDSA-N 1 1 312.370 -1.164 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001153733808 779709584 /nfs/dbraw/zinc/70/95/84/779709584.db2.gz IVZDOOGSZGLTOA-ZJUUUORDSA-N 1 1 312.370 -1.164 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001153693777 779710146 /nfs/dbraw/zinc/71/01/46/779710146.db2.gz RNNFFHDWTFETEH-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715307 779709888 /nfs/dbraw/zinc/70/98/88/779709888.db2.gz NCTDJZXEVPMPEX-MNOVXSKESA-N 1 1 304.391 -1.251 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715495 779710070 /nfs/dbraw/zinc/71/00/70/779710070.db2.gz SAJMDAXTAXYBIH-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715495 779710074 /nfs/dbraw/zinc/71/00/74/779710074.db2.gz SAJMDAXTAXYBIH-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3cccnc3[nH]c2=O)[C@@H]2NCN[C@@H]21 ZINC001153751786 779710105 /nfs/dbraw/zinc/71/01/05/779710105.db2.gz VGNDLBTZTJXRES-FOGDFJRCSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001153692514 779710113 /nfs/dbraw/zinc/71/01/13/779710113.db2.gz CKAIFFDHLFJAFZ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001153692514 779710118 /nfs/dbraw/zinc/71/01/18/779710118.db2.gz CKAIFFDHLFJAFZ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001153693777 779710150 /nfs/dbraw/zinc/71/01/50/779710150.db2.gz RNNFFHDWTFETEH-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO Nc1ccc2c(cccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001153812927 779711047 /nfs/dbraw/zinc/71/10/47/779711047.db2.gz NIYQHDYARRQCSX-RDBSUJKOSA-N 1 1 313.365 -1.050 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001153883226 779711879 /nfs/dbraw/zinc/71/18/79/779711879.db2.gz ZSWXZOAWWZCLDN-VIFPVBQESA-N 1 1 308.342 -1.443 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)c1nncn1C ZINC001153883027 779712324 /nfs/dbraw/zinc/71/23/24/779712324.db2.gz UHPLWVGDNNNGJJ-BDAKNGLRSA-N 1 1 308.342 -1.365 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001153883169 779712481 /nfs/dbraw/zinc/71/24/81/779712481.db2.gz YCBBSCKHRWERII-QMMMGPOBSA-N 1 1 321.341 -1.733 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)c1nnnn1C ZINC001153882473 779712504 /nfs/dbraw/zinc/71/25/04/779712504.db2.gz HBXRLSSHOATBRL-HTQZYQBOSA-N 1 1 309.330 -1.970 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)[nH]1 ZINC001153882522 779712754 /nfs/dbraw/zinc/71/27/54/779712754.db2.gz IEUGDRCRHLGNTR-IONNQARKSA-N 1 1 308.342 -1.067 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882799 779712957 /nfs/dbraw/zinc/71/29/57/779712957.db2.gz OPQIZIVGOXTXGO-VIFPVBQESA-N 1 1 308.342 -1.443 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n2nccc2n1 ZINC001153988956 779715541 /nfs/dbraw/zinc/71/55/41/779715541.db2.gz PKHJMOKVLOECQX-GRYCIOLGSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n2nccc2n1 ZINC001153988961 779716157 /nfs/dbraw/zinc/71/61/57/779716157.db2.gz PKHJMOKVLOECQX-WOPDTQHZSA-N 1 1 302.342 -1.830 20 0 DAADMO CN1CCc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001154157711 779717155 /nfs/dbraw/zinc/71/71/55/779717155.db2.gz IWXGETYQFUMTPL-HZSPNIEDSA-N 1 1 302.382 -1.188 20 0 DAADMO CN1CCc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001154157714 779717338 /nfs/dbraw/zinc/71/73/38/779717338.db2.gz IWXGETYQFUMTPL-RDBSUJKOSA-N 1 1 302.382 -1.188 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154052869 779717533 /nfs/dbraw/zinc/71/75/33/779717533.db2.gz CMHRNVJSLVCWQA-SNVBAGLBSA-N 1 1 302.375 -1.942 20 0 DAADMO CN1Cc2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1=O ZINC001154333715 779718647 /nfs/dbraw/zinc/71/86/47/779718647.db2.gz XELHCDHVUAXLEA-AGIUHOORSA-N 1 1 316.365 -1.595 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)CNC(N)=O)n1 ZINC001154457480 779720133 /nfs/dbraw/zinc/72/01/33/779720133.db2.gz HJRLQOQOGSAPAE-UHFFFAOYSA-N 1 1 300.319 -1.520 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469407 779721191 /nfs/dbraw/zinc/72/11/91/779721191.db2.gz XDXMJQFDXGKTKE-SECBINFHSA-N 1 1 323.419 -2.387 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469407 779721192 /nfs/dbraw/zinc/72/11/92/779721192.db2.gz XDXMJQFDXGKTKE-SECBINFHSA-N 1 1 323.419 -2.387 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn3cccc(F)c3n2)[C@@H]2NCN[C@@H]21 ZINC001154548302 779722554 /nfs/dbraw/zinc/72/25/54/779722554.db2.gz RUDUYKNHSOMLFA-FOGDFJRCSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001154592421 779724142 /nfs/dbraw/zinc/72/41/42/779724142.db2.gz MSFDHINNSBBNAB-DTWKUNHWSA-N 1 1 315.374 -1.481 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001154592421 779724147 /nfs/dbraw/zinc/72/41/47/779724147.db2.gz MSFDHINNSBBNAB-DTWKUNHWSA-N 1 1 315.374 -1.481 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620911 779724332 /nfs/dbraw/zinc/72/43/32/779724332.db2.gz VXBUGOLDONVAPN-WOPDTQHZSA-N 1 1 316.402 -1.156 20 0 DAADMO CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620503 779724428 /nfs/dbraw/zinc/72/44/28/779724428.db2.gz KUGPNYLJHXNKNU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620503 779724431 /nfs/dbraw/zinc/72/44/31/779724431.db2.gz KUGPNYLJHXNKNU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620769 779724679 /nfs/dbraw/zinc/72/46/79/779724679.db2.gz SDKXHQRFNIKBBD-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620769 779724682 /nfs/dbraw/zinc/72/46/82/779724682.db2.gz SDKXHQRFNIKBBD-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154692508 779726015 /nfs/dbraw/zinc/72/60/15/779726015.db2.gz IDHVNZJPHLJOGZ-SSDOTTSWSA-N 1 1 312.334 -2.155 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154692508 779726019 /nfs/dbraw/zinc/72/60/19/779726019.db2.gz IDHVNZJPHLJOGZ-SSDOTTSWSA-N 1 1 312.334 -2.155 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)c2ccn[nH]2)n1 ZINC001154897516 779727087 /nfs/dbraw/zinc/72/70/87/779727087.db2.gz GLFXTBSFKIGLRR-UHFFFAOYSA-N 1 1 321.341 -1.009 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001154894032 779727293 /nfs/dbraw/zinc/72/72/93/779727293.db2.gz GJFLLCGHTGATQJ-MRVPVSSYSA-N 1 1 324.341 -1.595 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001154894032 779727297 /nfs/dbraw/zinc/72/72/97/779727297.db2.gz GJFLLCGHTGATQJ-MRVPVSSYSA-N 1 1 324.341 -1.595 20 0 DAADMO CC[N@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154914186 779727448 /nfs/dbraw/zinc/72/74/48/779727448.db2.gz JHWNNCBJHJPRAE-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154914186 779727453 /nfs/dbraw/zinc/72/74/53/779727453.db2.gz JHWNNCBJHJPRAE-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154914166 779727573 /nfs/dbraw/zinc/72/75/73/779727573.db2.gz IPZGKNNKROJPJZ-SFYZADRCSA-N 1 1 314.346 -2.311 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154914166 779727576 /nfs/dbraw/zinc/72/75/76/779727576.db2.gz IPZGKNNKROJPJZ-SFYZADRCSA-N 1 1 314.346 -2.311 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945355 779728365 /nfs/dbraw/zinc/72/83/65/779728365.db2.gz SYFZCUSISXIUJZ-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945355 779728372 /nfs/dbraw/zinc/72/83/72/779728372.db2.gz SYFZCUSISXIUJZ-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154969746 779729084 /nfs/dbraw/zinc/72/90/84/779729084.db2.gz VGCZEWFPTDWWFP-VHSXEESVSA-N 1 1 307.416 -1.021 20 0 DAADMO CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154969746 779729087 /nfs/dbraw/zinc/72/90/87/779729087.db2.gz VGCZEWFPTDWWFP-VHSXEESVSA-N 1 1 307.416 -1.021 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001155105467 779730271 /nfs/dbraw/zinc/73/02/71/779730271.db2.gz PLFWNVPUTXTTJY-ZJUUUORDSA-N 1 1 318.374 -1.331 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001155105467 779730274 /nfs/dbraw/zinc/73/02/74/779730274.db2.gz PLFWNVPUTXTTJY-ZJUUUORDSA-N 1 1 318.374 -1.331 20 0 DAADMO CS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001155301487 779731087 /nfs/dbraw/zinc/73/10/87/779731087.db2.gz KTNIZOBKIDEQOU-UHFFFAOYSA-N 1 1 316.387 -1.352 20 0 DAADMO CCCn1nnnc1C[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155319032 779731558 /nfs/dbraw/zinc/73/15/58/779731558.db2.gz LYJJUJNSXAFSSK-UHFFFAOYSA-N 1 1 318.403 -1.276 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001155451437 779732422 /nfs/dbraw/zinc/73/24/22/779732422.db2.gz IZHOBUABGRKLIS-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001155451437 779732427 /nfs/dbraw/zinc/73/24/27/779732427.db2.gz IZHOBUABGRKLIS-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155509319 779732700 /nfs/dbraw/zinc/73/27/00/779732700.db2.gz FJXZQLAXHXYKCO-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155509319 779732703 /nfs/dbraw/zinc/73/27/03/779732703.db2.gz FJXZQLAXHXYKCO-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001155460736 779732862 /nfs/dbraw/zinc/73/28/62/779732862.db2.gz XTOZQCZWJJPFLQ-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001155460736 779732870 /nfs/dbraw/zinc/73/28/70/779732870.db2.gz XTOZQCZWJJPFLQ-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155528462 779733059 /nfs/dbraw/zinc/73/30/59/779733059.db2.gz IEWJLMWXENFLOM-GHMZBOCLSA-N 1 1 324.447 -1.410 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155528880 779733374 /nfs/dbraw/zinc/73/33/74/779733374.db2.gz RBTMLFKRUYFAQY-LLVKDONJSA-N 1 1 324.447 -1.409 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(n2)NC(=O)CO3)[C@H]2NCN[C@@H]21 ZINC001155738056 779733846 /nfs/dbraw/zinc/73/38/46/779733846.db2.gz UZILLBNVQVGUQQ-CKYFFXLPSA-N 1 1 319.325 -2.455 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001155751849 779734231 /nfs/dbraw/zinc/73/42/31/779734231.db2.gz SHPZJVPYBJWUPV-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001155751849 779734236 /nfs/dbraw/zinc/73/42/36/779734236.db2.gz SHPZJVPYBJWUPV-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155811708 779735924 /nfs/dbraw/zinc/73/59/24/779735924.db2.gz JEGZVQLCBVBFHJ-LLVKDONJSA-N 1 1 306.432 -1.274 20 0 DAADMO CN1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155813053 779736354 /nfs/dbraw/zinc/73/63/54/779736354.db2.gz QVLCGVXAQQFQGH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n[nH]nc3cc2F)[C@@H]2NCN[C@@H]21 ZINC001156085756 779738576 /nfs/dbraw/zinc/73/85/76/779738576.db2.gz LBUPNLSHYQEJOE-MXWKQRLJSA-N 1 1 306.305 -1.770 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3cccc(Cl)n32)[C@@H]2NCN[C@@H]21 ZINC001156028675 779738631 /nfs/dbraw/zinc/73/86/31/779738631.db2.gz KXXBHXNZLLPGAJ-BBBLOLIVSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)COCc1ncnn1C ZINC001156110133 779738729 /nfs/dbraw/zinc/73/87/29/779738729.db2.gz DMBHTBGSRRJQPT-SNVBAGLBSA-N 1 1 312.374 -1.356 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)COCc1ncnn1C ZINC001156110133 779738731 /nfs/dbraw/zinc/73/87/31/779738731.db2.gz DMBHTBGSRRJQPT-SNVBAGLBSA-N 1 1 312.374 -1.356 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)CC(N)=O)n1 ZINC001156028602 779738891 /nfs/dbraw/zinc/73/88/91/779738891.db2.gz AMYKEBDLFDEJTM-UHFFFAOYSA-N 1 1 312.330 -2.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3cccc(Cl)n32)[C@@H]2NCN[C@H]21 ZINC001156028673 779738922 /nfs/dbraw/zinc/73/89/22/779738922.db2.gz KXXBHXNZLLPGAJ-AEJSXWLSSA-N 1 1 322.760 -1.485 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3c(F)cccn23)[C@@H]2NCN[C@@H]21 ZINC001156344324 779740145 /nfs/dbraw/zinc/74/01/45/779740145.db2.gz ZQLJQDYGDBRHRK-MRTMQBJTSA-N 1 1 306.305 -1.999 20 0 DAADMO Cc1nccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nnc12 ZINC001156420257 779740872 /nfs/dbraw/zinc/74/08/72/779740872.db2.gz FAXLFWADQOYJQQ-KHQFGBGNSA-N 1 1 303.330 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1cc(C)n[nH]1 ZINC001156454349 779741429 /nfs/dbraw/zinc/74/14/29/779741429.db2.gz XXEVAOZNEULBSE-UHFFFAOYSA-N 1 1 310.358 -1.188 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CNC3=O)[C@@H]2NCN[C@@H]21 ZINC001156558359 779741816 /nfs/dbraw/zinc/74/18/16/779741816.db2.gz CZJQKGSQEZRYLA-UTUOFQBUSA-N 1 1 302.338 -1.937 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156798293 779742849 /nfs/dbraw/zinc/74/28/49/779742849.db2.gz XWCDFTKGXXVFKP-LLVKDONJSA-N 1 1 304.391 -1.120 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2OCCCO3)[C@@H]2NCN[C@@H]21 ZINC001156719744 779742946 /nfs/dbraw/zinc/74/29/46/779742946.db2.gz LHOJTMGDNZJIMC-BNOWGMLFSA-N 1 1 319.365 -1.019 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3cccc(F)n32)[C@@H]2NCN[C@@H]21 ZINC001156639960 779743029 /nfs/dbraw/zinc/74/30/29/779743029.db2.gz UVUKXTGYQNIGOF-UTUOFQBUSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001156683008 779743076 /nfs/dbraw/zinc/74/30/76/779743076.db2.gz UEPUJHASSSAJLO-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001156683008 779743080 /nfs/dbraw/zinc/74/30/80/779743080.db2.gz UEPUJHASSSAJLO-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cncn1 ZINC001156773565 779743284 /nfs/dbraw/zinc/74/32/84/779743284.db2.gz WDKWERYICZNNEH-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cncn1 ZINC001156773565 779743289 /nfs/dbraw/zinc/74/32/89/779743289.db2.gz WDKWERYICZNNEH-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001156659252 779743460 /nfs/dbraw/zinc/74/34/60/779743460.db2.gz WLDMUJTXMYYJDT-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001156659252 779743462 /nfs/dbraw/zinc/74/34/62/779743462.db2.gz WLDMUJTXMYYJDT-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001156791666 779743678 /nfs/dbraw/zinc/74/36/78/779743678.db2.gz FPTIZIUBJYIAJU-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001156791666 779743688 /nfs/dbraw/zinc/74/36/88/779743688.db2.gz FPTIZIUBJYIAJU-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3cccc(F)n32)[C@H]2NCN[C@H]21 ZINC001156639958 779743711 /nfs/dbraw/zinc/74/37/11/779743711.db2.gz UVUKXTGYQNIGOF-QJPTWQEYSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156808494 779744744 /nfs/dbraw/zinc/74/47/44/779744744.db2.gz ULVUOAGOTPCJPN-NXEZZACHSA-N 1 1 300.359 -1.254 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cc(F)ccc23)[C@H]2NCN[C@@H]21 ZINC001156941256 779745435 /nfs/dbraw/zinc/74/54/35/779745435.db2.gz SJEZFKHHSBKSSQ-IJLUTSLNSA-N 1 1 305.317 -1.394 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cc(F)ccc23)[C@@H]2NCN[C@@H]21 ZINC001156941259 779745663 /nfs/dbraw/zinc/74/56/63/779745663.db2.gz SJEZFKHHSBKSSQ-UTUOFQBUSA-N 1 1 305.317 -1.394 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c[nH]c2n1 ZINC001157104408 779748462 /nfs/dbraw/zinc/74/84/62/779748462.db2.gz IFTHNKQIWBEKES-GMXVVIOVSA-N 1 1 317.353 -1.296 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(Cl)nc3[nH]ccc32)[C@@H]2NCN[C@H]21 ZINC001157128716 779749680 /nfs/dbraw/zinc/74/96/80/779749680.db2.gz AZIFYGPZAZZWDA-XKSSXDPKSA-N 1 1 322.760 -1.304 20 0 DAADMO CCOC(=O)c1cn[nH]c1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157449342 779754806 /nfs/dbraw/zinc/75/48/06/779754806.db2.gz YJRQKGULGACSHN-LLVKDONJSA-N 1 1 323.353 -1.467 20 0 DAADMO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2COCC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157422508 779755038 /nfs/dbraw/zinc/75/50/38/779755038.db2.gz HZLQSRFQYDTCEF-URASHGAGSA-N 1 1 320.342 -3.065 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)CNC(N)=O)[C@@H]1CCNC1=O ZINC001157521917 779756402 /nfs/dbraw/zinc/75/64/02/779756402.db2.gz BRTVURHEWLTNGU-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO N[C@@H](CSCC[NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862825 779760012 /nfs/dbraw/zinc/76/00/12/779760012.db2.gz LTWOGJCZLGJVLT-VIFPVBQESA-N 1 1 300.384 -1.635 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922629 779761646 /nfs/dbraw/zinc/76/16/46/779761646.db2.gz SXENSOMLMHRNAI-CBAPKCEASA-N 1 1 308.342 -1.998 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157906019 779761876 /nfs/dbraw/zinc/76/18/76/779761876.db2.gz YPOYNRRCFZPCFQ-WCFLWFBJSA-N 1 1 300.403 -2.062 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157906017 779761888 /nfs/dbraw/zinc/76/18/88/779761888.db2.gz YPOYNRRCFZPCFQ-DRZSPHRISA-N 1 1 300.403 -2.062 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001157912476 779762031 /nfs/dbraw/zinc/76/20/31/779762031.db2.gz QHJIDFKWYLFLAM-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001158013054 779764865 /nfs/dbraw/zinc/76/48/65/779764865.db2.gz BKVUGMARCHHXCH-DLOVCJGASA-N 1 1 316.377 -1.151 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076363 779766039 /nfs/dbraw/zinc/76/60/39/779766039.db2.gz GLTRIIJYFOHXKY-QWRGUYRKSA-N 1 1 314.386 -2.208 20 0 DAADMO N[C@@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092171 779766139 /nfs/dbraw/zinc/76/61/39/779766139.db2.gz LRHAJWGTCKMXNI-BBRMVZONSA-N 1 1 318.377 -1.048 20 0 DAADMO O=C(C[C@H]1CNCC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101019 779767260 /nfs/dbraw/zinc/76/72/60/779767260.db2.gz FUAVJRVWURXWRP-CABZTGNLSA-N 1 1 302.325 -1.078 20 0 DAADMO C[S@@](=O)CC[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158103053 779767410 /nfs/dbraw/zinc/76/74/10/779767410.db2.gz ZZIHTWXHEXGOAM-GWUBFIHGSA-N 1 1 302.400 -2.227 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111228 779768266 /nfs/dbraw/zinc/76/82/66/779768266.db2.gz LRPHOEOGNVYJRH-XHDPSFHLSA-N 1 1 318.381 -1.852 20 0 DAADMO O=C(C[C@H]1COCCN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120603 779770044 /nfs/dbraw/zinc/77/00/44/779770044.db2.gz OJJIUQPVIJGRAW-XHDPSFHLSA-N 1 1 308.382 -1.697 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001158171694 779771181 /nfs/dbraw/zinc/77/11/81/779771181.db2.gz DPMAOHDYPRURER-SECBINFHSA-N 1 1 323.357 -1.074 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001158171694 779771185 /nfs/dbraw/zinc/77/11/85/779771185.db2.gz DPMAOHDYPRURER-SECBINFHSA-N 1 1 323.357 -1.074 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260488 779773084 /nfs/dbraw/zinc/77/30/84/779773084.db2.gz DMEWYGREPBBNCZ-NSHDSACASA-N 1 1 322.369 -1.411 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158413698 779775645 /nfs/dbraw/zinc/77/56/45/779775645.db2.gz YRWFAGQWQORUIA-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158413698 779775654 /nfs/dbraw/zinc/77/56/54/779775654.db2.gz YRWFAGQWQORUIA-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001158516433 779777009 /nfs/dbraw/zinc/77/70/09/779777009.db2.gz OEVOACFSSSMIIU-DCAQKATOSA-N 1 1 310.354 -1.358 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545657 779777849 /nfs/dbraw/zinc/77/78/49/779777849.db2.gz HRJXGMQBPNGYJF-RSUWNVLCSA-N 1 1 322.409 -1.085 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579425 779778266 /nfs/dbraw/zinc/77/82/66/779778266.db2.gz SPLRTISFTMTJSG-MMWGEVLESA-N 1 1 316.377 -1.654 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001158846561 779781534 /nfs/dbraw/zinc/78/15/34/779781534.db2.gz AZDLYOQXBAJJIF-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CN1C(=O)CCC1=O ZINC001158846561 779781538 /nfs/dbraw/zinc/78/15/38/779781538.db2.gz AZDLYOQXBAJJIF-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)C1 ZINC001158967478 779781618 /nfs/dbraw/zinc/78/16/18/779781618.db2.gz ADIYIGDHZVXIJG-XQHKEYJVSA-N 1 1 318.381 -1.418 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001158837168 779782094 /nfs/dbraw/zinc/78/20/94/779782094.db2.gz HYQUJIWAOCCYOS-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001158872742 779782254 /nfs/dbraw/zinc/78/22/54/779782254.db2.gz ZKVTWLJXWNMULT-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc(N(C)C)[nH+]1 ZINC001158975349 779784597 /nfs/dbraw/zinc/78/45/97/779784597.db2.gz SKNQNEKLDUIHIV-LDBGNUQFSA-N 1 1 314.342 -1.937 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CCNS(C)(=O)=O)o1 ZINC001159189396 779787686 /nfs/dbraw/zinc/78/76/86/779787686.db2.gz KLTGBRVWLLWFCH-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210368 779788892 /nfs/dbraw/zinc/78/88/92/779788892.db2.gz MBOWJVUIFIHPJV-UHFFFAOYSA-N 1 1 321.385 -1.100 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210267 779788914 /nfs/dbraw/zinc/78/89/14/779788914.db2.gz HPMVIBXPCHSYIS-ZDUSSCGKSA-N 1 1 324.385 -1.181 20 0 DAADMO O=C(Cn1cnnn1)NCCC1=CC[N@@H+](CCOCCO)CC1 ZINC001159210358 779789382 /nfs/dbraw/zinc/78/93/82/779789382.db2.gz LMWVIUPWLCVZBM-UHFFFAOYSA-N 1 1 324.385 -1.180 20 0 DAADMO O=C(Cn1cnnn1)NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001159210784 779789404 /nfs/dbraw/zinc/78/94/04/779789404.db2.gz QCEFHJRNKINDHU-GFCCVEGCSA-N 1 1 319.369 -1.300 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1cnc[nH]1 ZINC001159537503 779793663 /nfs/dbraw/zinc/79/36/63/779793663.db2.gz XUUJAEBFMMFENQ-UHFFFAOYSA-N 1 1 310.358 -1.106 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1cnc[nH]1 ZINC001159537002 779794328 /nfs/dbraw/zinc/79/43/28/779794328.db2.gz FKKULARAFGXZNH-UHFFFAOYSA-N 1 1 317.415 -1.013 20 0 DAADMO CC[C@]([NH3+])(CO)Nc1ncc(S(N)(=O)=O)cc1C(=O)OC ZINC001159747502 779795251 /nfs/dbraw/zinc/79/52/51/779795251.db2.gz GEOROUZJTADPDH-LLVKDONJSA-N 1 1 318.355 -1.015 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)CNCCC[NH3+])C2 ZINC001160172379 779801609 /nfs/dbraw/zinc/80/16/09/779801609.db2.gz DFRAYFZEBSJQHB-CQSZACIVSA-N 1 1 311.386 -2.126 20 0 DAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H](N)C[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216777 779802945 /nfs/dbraw/zinc/80/29/45/779802945.db2.gz HFJABHMRGPFFIJ-UKJIMTQDSA-N 1 1 318.381 -1.470 20 0 DAADMO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CCO2 ZINC001160180560 779803304 /nfs/dbraw/zinc/80/33/04/779803304.db2.gz VLKHQLMKNZGIJD-VNHYZAJKSA-N 1 1 310.398 -1.085 20 0 DAADMO O=C(CN1CCOCC1=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160393053 779805311 /nfs/dbraw/zinc/80/53/11/779805311.db2.gz XEYDTOUGLMYPAN-UHFFFAOYSA-N 1 1 311.382 -1.024 20 0 DAADMO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCN(C2CCOCC2)CC1 ZINC001160491168 779807647 /nfs/dbraw/zinc/80/76/47/779807647.db2.gz VPSUOUDBJUSQBT-CQSZACIVSA-N 1 1 324.425 -1.360 20 0 DAADMO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160492035 779807771 /nfs/dbraw/zinc/80/77/71/779807771.db2.gz CPVVSOATBHOJQD-IBCQBUCCSA-N 1 1 317.367 -1.708 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001160505801 779809173 /nfs/dbraw/zinc/80/91/73/779809173.db2.gz GKKQLEYRQGRIJM-RWMBFGLXSA-N 1 1 310.398 -1.085 20 0 DAADMO CC[NH+]1CCC(N(C)C(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC1 ZINC001160537388 779811347 /nfs/dbraw/zinc/81/13/47/779811347.db2.gz KDJAUYBKVRPTAF-JQWIXIFHSA-N 1 1 300.403 -1.247 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160635945 779813243 /nfs/dbraw/zinc/81/32/43/779813243.db2.gz NHXUZOZPYKCBHY-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CN1CCN(C2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)C2)CC1=O ZINC001160636013 779813337 /nfs/dbraw/zinc/81/33/37/779813337.db2.gz OFMMPOLTKOFIMI-JMSVASOKSA-N 1 1 307.398 -1.807 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644910 779815667 /nfs/dbraw/zinc/81/56/67/779815667.db2.gz JDQTXMKLDQBRTK-QWRGUYRKSA-N 1 1 316.402 -1.569 20 0 DAADMO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)C1CCS(=O)(=O)CC1 ZINC001160718621 779816491 /nfs/dbraw/zinc/81/64/91/779816491.db2.gz NTYLHPRIEKXAQG-NSHDSACASA-N 1 1 301.412 -1.169 20 0 DAADMO CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001160787918 779818738 /nfs/dbraw/zinc/81/87/38/779818738.db2.gz NTIOJSPFUWDIDK-ZYHUDNBSSA-N 1 1 307.354 -1.040 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837574 779819424 /nfs/dbraw/zinc/81/94/24/779819424.db2.gz BRFOCRJISPMHSJ-DCAQKATOSA-N 1 1 302.375 -2.400 20 0 DAADMO COC[C@H](N)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791891 779819873 /nfs/dbraw/zinc/81/98/73/779819873.db2.gz HDIRLBAZMGXBBJ-TVEHIPJCSA-N 1 1 311.382 -1.183 20 0 DAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CNCCO3)C[C@H]1C2 ZINC001160791699 779820033 /nfs/dbraw/zinc/82/00/33/779820033.db2.gz ACNFBCRMFAKYHV-CRQFQMBKSA-N 1 1 323.393 -1.168 20 0 DAADMO CCOC(=O)[C@]12CN(C(=O)[C@H]3CNCCO3)C[C@H]1C[NH2+]CC2 ZINC001160811658 779820349 /nfs/dbraw/zinc/82/03/49/779820349.db2.gz RRLCVVVGVFMCEA-LALPHHSUSA-N 1 1 311.382 -1.024 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160860859 779820985 /nfs/dbraw/zinc/82/09/85/779820985.db2.gz OEVOTVISGQHMGK-UHFFFAOYSA-N 1 1 310.398 -1.451 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(C)[C@H](C(=O)OC)C1 ZINC001160871047 779821558 /nfs/dbraw/zinc/82/15/58/779821558.db2.gz PXBLJJSRTCSSKV-UWVGGRQHSA-N 1 1 301.343 -1.418 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC001160880169 779822197 /nfs/dbraw/zinc/82/21/97/779822197.db2.gz VAMZVYKTYIIDSV-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1nnc(C(=O)NCCC2=CC[N@@H+](CCOCCO)CC2)n1 ZINC001160927798 779822720 /nfs/dbraw/zinc/82/27/20/779822720.db2.gz QXEUFQSMKJPBAW-UHFFFAOYSA-N 1 1 324.385 -1.029 20 0 DAADMO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C1 ZINC001161049918 779824506 /nfs/dbraw/zinc/82/45/06/779824506.db2.gz JOGDTDALZQATJX-SRVKXCTJSA-N 1 1 300.403 -1.248 20 0 DAADMO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C1 ZINC001161049918 779824510 /nfs/dbraw/zinc/82/45/10/779824510.db2.gz JOGDTDALZQATJX-SRVKXCTJSA-N 1 1 300.403 -1.248 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001161070474 779824680 /nfs/dbraw/zinc/82/46/80/779824680.db2.gz KLIVKBQYLQEGJI-UHFFFAOYSA-N 1 1 322.365 -1.241 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161069820 779825530 /nfs/dbraw/zinc/82/55/30/779825530.db2.gz DNKSJZGIUBPGBE-MRVPVSSYSA-N 1 1 311.342 -1.807 20 0 DAADMO COC(=O)[C@]1(N)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161139641 779828155 /nfs/dbraw/zinc/82/81/55/779828155.db2.gz ZMDRLYSLVHATHE-RISCZKNCSA-N 1 1 313.402 -2.160 20 0 DAADMO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)CN ZINC001161157388 779829222 /nfs/dbraw/zinc/82/92/22/779829222.db2.gz COLWBYBIYACKIP-NSHDSACASA-N 1 1 314.386 -1.323 20 0 DAADMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247238 779830898 /nfs/dbraw/zinc/83/08/98/779830898.db2.gz ACPZUHURFVWDEK-LLVKDONJSA-N 1 1 302.342 -1.187 20 0 DAADMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247239 779831602 /nfs/dbraw/zinc/83/16/02/779831602.db2.gz ACPZUHURFVWDEK-NSHDSACASA-N 1 1 302.342 -1.187 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)CC1CS(=O)(=O)C1 ZINC001161434133 779837021 /nfs/dbraw/zinc/83/70/21/779837021.db2.gz UEHPFPUVRXANHG-UHFFFAOYSA-N 1 1 316.387 -1.759 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)COC(C)=O)CC2 ZINC001161476214 779838447 /nfs/dbraw/zinc/83/84/47/779838447.db2.gz BLVHEDISQXFOOE-MJVIPROJSA-N 1 1 313.354 -1.370 20 0 DAADMO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)COC(C)=O)CC2 ZINC001161476212 779838655 /nfs/dbraw/zinc/83/86/55/779838655.db2.gz BLVHEDISQXFOOE-COPLHBTASA-N 1 1 313.354 -1.370 20 0 DAADMO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cn1cccn1)CC2 ZINC001161479650 779838797 /nfs/dbraw/zinc/83/87/97/779838797.db2.gz QJEAKRPJSGIICC-YWPYICTPSA-N 1 1 321.381 -1.036 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cn1cccn1)CC2 ZINC001161479651 779839176 /nfs/dbraw/zinc/83/91/76/779839176.db2.gz QJEAKRPJSGIICC-ZOWXZIJZSA-N 1 1 321.381 -1.036 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001161485518 779839904 /nfs/dbraw/zinc/83/99/04/779839904.db2.gz LCSXTUGJJOLWNO-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC001161485518 779839909 /nfs/dbraw/zinc/83/99/09/779839909.db2.gz LCSXTUGJJOLWNO-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO NC(=O)c1ccc(C[C@H](N)C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161509023 779840899 /nfs/dbraw/zinc/84/08/99/779840899.db2.gz HNDFNABIYCTXBQ-STQMWFEESA-N 1 1 318.377 -1.159 20 0 DAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COC[NH2+]1)C[C@H]2C(=O)N(C)C ZINC001161506288 779840919 /nfs/dbraw/zinc/84/09/19/779840919.db2.gz FBJJCPYMCURSAD-RYUDHWBXSA-N 1 1 324.381 -1.673 20 0 DAADMO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCNC2(CC2)C1 ZINC001161542901 779841789 /nfs/dbraw/zinc/84/17/89/779841789.db2.gz KNVXFZXYIQDLOG-LLVKDONJSA-N 1 1 317.397 -1.112 20 0 DAADMO COCCOC1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161572536 779843193 /nfs/dbraw/zinc/84/31/93/779843193.db2.gz RZPQYENVXKWRSV-CYBMUJFWSA-N 1 1 300.403 -1.389 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161697401 779843667 /nfs/dbraw/zinc/84/36/67/779843667.db2.gz DIMYBKFOGGYKMQ-UHFFFAOYSA-N 1 1 318.403 -1.156 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC[C@@H]1CCCO1 ZINC001161690513 779843747 /nfs/dbraw/zinc/84/37/47/779843747.db2.gz CJBZIUITEVTQRR-JTQLQIEISA-N 1 1 310.358 -1.191 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC[C@H]1CCCO1 ZINC001161690514 779844158 /nfs/dbraw/zinc/84/41/58/779844158.db2.gz CJBZIUITEVTQRR-SNVBAGLBSA-N 1 1 310.358 -1.191 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC[C@H]1CCOC1 ZINC001161706748 779844678 /nfs/dbraw/zinc/84/46/78/779844678.db2.gz GWJRTPBCCWTIJL-SNVBAGLBSA-N 1 1 310.358 -1.333 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161706386 779844708 /nfs/dbraw/zinc/84/47/08/779844708.db2.gz AXOFETDQRXCFAV-UHFFFAOYSA-N 1 1 318.403 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2cnn[nH]2)CCO1 ZINC001161707381 779844898 /nfs/dbraw/zinc/84/48/98/779844898.db2.gz VIHZWPNEJNVEGO-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707469 779845806 /nfs/dbraw/zinc/84/58/06/779845806.db2.gz YFXKCGCNBFZZRB-JTQLQIEISA-N 1 1 301.347 -1.462 20 0 DAADMO COCC1(CNC(=O)c2cn(C)nn2)CC[NH+](CC(N)=O)CC1 ZINC001162246642 779852100 /nfs/dbraw/zinc/85/21/00/779852100.db2.gz GBBMTHFUCAYXFP-UHFFFAOYSA-N 1 1 324.385 -1.241 20 0 DAADMO CCOC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1C ZINC001162437137 779853108 /nfs/dbraw/zinc/85/31/08/779853108.db2.gz AXYFUXHNQJSULA-SCVCMEIPSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOC(=O)c1cc(C)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162437833 779853181 /nfs/dbraw/zinc/85/31/81/779853181.db2.gz WCMALYMOEQFBBZ-OUAUKWLOSA-N 1 1 307.358 -1.541 20 0 DAADMO [NH3+][C@@H]1NCN(c2nc(Cl)cc3c2CNC3=O)[C@@H]2NCN[C@H]21 ZINC001162437902 779853208 /nfs/dbraw/zinc/85/32/08/779853208.db2.gz DMZJPRYVYFTZNU-NGZCFLSTSA-N 1 1 309.761 -1.525 20 0 DAADMO COC(=O)c1c[nH]c2nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ccc12 ZINC001162437145 779853480 /nfs/dbraw/zinc/85/34/80/779853480.db2.gz AYIVSTHWSPYQAI-GMXVVIOVSA-N 1 1 317.353 -1.154 20 0 DAADMO Cc1cc(N2CCCC2)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162436783 779853536 /nfs/dbraw/zinc/85/35/36/779853536.db2.gz PPOZNLRFSRZMAY-FRRDWIJNSA-N 1 1 304.402 -1.118 20 0 DAADMO [NH3+][C@@H]1NCN(c2nc(Cl)cc3c2CNC3=O)[C@H]2NCN[C@@H]21 ZINC001162437898 779853616 /nfs/dbraw/zinc/85/36/16/779853616.db2.gz DMZJPRYVYFTZNU-FXPVBKGRSA-N 1 1 309.761 -1.525 20 0 DAADMO CCOC(=O)c1cc(C)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162437832 779854151 /nfs/dbraw/zinc/85/41/51/779854151.db2.gz WCMALYMOEQFBBZ-GARJFASQSA-N 1 1 307.358 -1.541 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(N3CCCCC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162437504 779854321 /nfs/dbraw/zinc/85/43/21/779854321.db2.gz UHFZGMOZBXVRFQ-MJBXVCDLSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(=O)c1c[nH]c2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c12 ZINC001162438601 779854740 /nfs/dbraw/zinc/85/47/40/779854740.db2.gz GVIDKEPAVJSDMT-HOTUBEGUSA-N 1 1 318.341 -1.759 20 0 DAADMO COC(=O)c1cc(F)c(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162440010 779854874 /nfs/dbraw/zinc/85/48/74/779854874.db2.gz PVUBGQVVUNEUSS-NHCYSSNCSA-N 1 1 310.333 -1.187 20 0 DAADMO CN1CC(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc21 ZINC001162438978 779854992 /nfs/dbraw/zinc/85/49/92/779854992.db2.gz JBXYBGZNATZAFJ-YWVKMMECSA-N 1 1 305.346 -2.638 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1 ZINC001162438792 779855095 /nfs/dbraw/zinc/85/50/95/779855095.db2.gz HQXIJCSAPDPRCL-IHRRRGAJSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162439493 779855141 /nfs/dbraw/zinc/85/51/41/779855141.db2.gz LZFVZDWOJHGZHB-WCABBAIRSA-N 1 1 323.357 -1.841 20 0 DAADMO COC(=O)c1c[nH]c2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c12 ZINC001162438603 779855399 /nfs/dbraw/zinc/85/53/99/779855399.db2.gz GVIDKEPAVJSDMT-PTRXPTGYSA-N 1 1 318.341 -1.759 20 0 DAADMO CN1CC(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc21 ZINC001162438976 779855928 /nfs/dbraw/zinc/85/59/28/779855928.db2.gz JBXYBGZNATZAFJ-QXEWZRGKSA-N 1 1 305.346 -2.638 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162440498 779855953 /nfs/dbraw/zinc/85/59/53/779855953.db2.gz SALNUNVHOJSOCS-XQQFMLRXSA-N 1 1 303.370 -1.529 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162440497 779855995 /nfs/dbraw/zinc/85/59/95/779855995.db2.gz SALNUNVHOJSOCS-UPJWGTAASA-N 1 1 303.370 -1.529 20 0 DAADMO CCOC(=O)c1c(C)ncnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162439916 779856039 /nfs/dbraw/zinc/85/60/39/779856039.db2.gz PAZZHTLGBLKIID-SCVCMEIPSA-N 1 1 307.358 -1.541 20 0 DAADMO COC(=O)c1c(C)cc(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162440334 779856055 /nfs/dbraw/zinc/85/60/55/779856055.db2.gz QSUNXNGJTVGYGR-GVXVVHGQSA-N 1 1 306.370 -1.018 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCSCC3)ncn2)[C@H]2NCN[C@@H]21 ZINC001162443047 779856473 /nfs/dbraw/zinc/85/64/73/779856473.db2.gz FMLXDHPUOPFMLU-JHJVBQTASA-N 1 1 322.442 -1.473 20 0 DAADMO CON(C)C(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001162442554 779856550 /nfs/dbraw/zinc/85/65/50/779856550.db2.gz CBSCHHUEMMCZIG-WOPDTQHZSA-N 1 1 307.358 -1.788 20 0 DAADMO CN(C)c1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc2nc[nH]c21 ZINC001162441551 779856678 /nfs/dbraw/zinc/85/66/78/779856678.db2.gz YRDBGXMSYGGDCG-KADJCCMJSA-N 1 1 304.362 -2.084 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncc3ncnc(Cl)c3n2)[C@H]2NCN[C@H]21 ZINC001162444392 779856837 /nfs/dbraw/zinc/85/68/37/779856837.db2.gz BJTQUFIPAAPEAG-FXBDTBDDSA-N 1 1 307.749 -1.430 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(OC)c1 ZINC001162441538 779857044 /nfs/dbraw/zinc/85/70/44/779857044.db2.gz YPDDKHFHWOSIPK-MDZLAQPJSA-N 1 1 322.369 -1.236 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162443823 779857225 /nfs/dbraw/zinc/85/72/25/779857225.db2.gz KCELZQDWXSERIW-UTUOFQBUSA-N 1 1 304.358 -2.134 20 0 DAADMO NC(=O)c1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc(C2CC2)n1 ZINC001162443312 779857236 /nfs/dbraw/zinc/85/72/36/779857236.db2.gz GIHHNJASYLIBGI-GBIKHYSHSA-N 1 1 304.358 -2.050 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(-n3ccccc3=O)n2)[C@H]2NCN[C@H]21 ZINC001162444379 779857431 /nfs/dbraw/zinc/85/74/31/779857431.db2.gz BICXVLHPSWZUFK-YNEHKIRRSA-N 1 1 314.353 -1.876 20 0 DAADMO NS(=O)(=O)c1cnc(N2CN[C@@H]([NH3+])[C@H]3NCN[C@@H]32)c(F)c1 ZINC001162442478 779857680 /nfs/dbraw/zinc/85/76/80/779857680.db2.gz BTHDAQFDJSAOIQ-NQMVMOMDSA-N 1 1 317.350 -2.635 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2NCN[C@@H]21 ZINC001162444692 779858194 /nfs/dbraw/zinc/85/81/94/779858194.db2.gz QDFHWXNTPRSQTC-IMSYWVGJSA-N 1 1 303.729 -1.246 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2NCN[C@H]21 ZINC001162444695 779858752 /nfs/dbraw/zinc/85/87/52/779858752.db2.gz QDFHWXNTPRSQTC-JLIMGVALSA-N 1 1 303.729 -1.246 20 0 DAADMO CN1CCc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1 ZINC001162446075 779858934 /nfs/dbraw/zinc/85/89/34/779858934.db2.gz YBVUDDGZRXHONP-JFGNBEQYSA-N 1 1 324.820 -1.385 20 0 DAADMO Cc1nc(-n2cncn2)cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162444499 779858977 /nfs/dbraw/zinc/85/89/77/779858977.db2.gz PCCCHHDOAAIHBP-SDDRHHMPSA-N 1 1 302.346 -2.137 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2cncc(Cl)n2)[C@H]2NCN[C@@H]21 ZINC001162445009 779858985 /nfs/dbraw/zinc/85/89/85/779858985.db2.gz RSUYZMPUTTYCFU-KYXWUPHJSA-N 1 1 303.729 -1.246 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2ccc(Cl)nn2)[C@@H]2NCN[C@H]21 ZINC001162444697 779859081 /nfs/dbraw/zinc/85/90/81/779859081.db2.gz QDFHWXNTPRSQTC-JXUBOQSCSA-N 1 1 303.729 -1.246 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2NC(=O)CS3)[C@H]2NCN[C@@H]21 ZINC001162445442 779859170 /nfs/dbraw/zinc/85/91/70/779859170.db2.gz URKSWTYJWICHHD-FTLITQJKSA-N 1 1 308.371 -1.982 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(N3CCCCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162445583 779859176 /nfs/dbraw/zinc/85/91/76/779859176.db2.gz FOWGCXMZCKYIKQ-UPJWGTAASA-N 1 1 304.402 -1.036 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2NC(=O)CS3)[C@@H]2NCN[C@@H]21 ZINC001162445444 779859236 /nfs/dbraw/zinc/85/92/36/779859236.db2.gz URKSWTYJWICHHD-VDAHYXPESA-N 1 1 308.371 -1.982 20 0 DAADMO Cc1noc(-c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc2)n1 ZINC001162448985 779859677 /nfs/dbraw/zinc/85/96/77/779859677.db2.gz SODQTRUTHDBGEA-WOPDTQHZSA-N 1 1 302.342 -1.063 20 0 DAADMO CC(C)n1cnc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc21 ZINC001162449349 779859720 /nfs/dbraw/zinc/85/97/20/779859720.db2.gz VDQZIYNGSBTQLT-JBLDHEPKSA-N 1 1 303.374 -1.096 20 0 DAADMO COC(=O)CSc1cccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162446393 779859735 /nfs/dbraw/zinc/85/97/35/779859735.db2.gz HPFTUMCSBBTZBU-AVGNSLFASA-N 1 1 324.410 -1.156 20 0 DAADMO [NH3+][C@@H]1NCN(c2cccc(N3CCOCC3)n2)[C@H]2NCN[C@@H]21 ZINC001162449024 779859932 /nfs/dbraw/zinc/85/99/32/779859932.db2.gz SULIOJMQPCVVGM-MGPQQGTHSA-N 1 1 305.386 -1.585 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2ncn3C2CC2)[C@H]2NCN[C@H]21 ZINC001162446390 779860238 /nfs/dbraw/zinc/86/02/38/779860238.db2.gz HOWRGGHFFRICHU-JMJZKYOTSA-N 1 1 301.358 -1.342 20 0 DAADMO [NH3+][C@@H]1NCN(c2cncc(N3CCCCC3)n2)[C@H]2NCN[C@H]21 ZINC001162449585 779860411 /nfs/dbraw/zinc/86/04/11/779860411.db2.gz WDZYYMCNYBQHMS-BFHYXJOUSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(OC)c1c(CO)ccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162447729 779860496 /nfs/dbraw/zinc/86/04/96/779860496.db2.gz OAJFORXYOBVTKP-NTZNESFSSA-N 1 1 324.385 -1.638 20 0 DAADMO COC(OC)c1c(CO)ccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162447723 779860532 /nfs/dbraw/zinc/86/05/32/779860532.db2.gz OAJFORXYOBVTKP-GMXVVIOVSA-N 1 1 324.385 -1.638 20 0 DAADMO COc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc2c1ccn2C ZINC001162446258 779860563 /nfs/dbraw/zinc/86/05/63/779860563.db2.gz ZSKRLHCMDOXZDV-ATZCPNFKSA-N 1 1 304.358 -1.526 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nn1 ZINC001162450281 779861488 /nfs/dbraw/zinc/86/14/88/779861488.db2.gz ZPCPKIGPYMPYOS-AGIUHOORSA-N 1 1 307.358 -1.921 20 0 DAADMO Cc1nc2c(nc(Cl)nc2N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1C ZINC001162450269 779861951 /nfs/dbraw/zinc/86/19/51/779861951.db2.gz ZMAMIGLXDGPESV-BWVDBABLSA-N 1 1 323.792 -1.178 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CCn2ncn(C)c2=O)n1 ZINC001163204446 779865230 /nfs/dbraw/zinc/86/52/30/779865230.db2.gz WEULDKQSRIEFRN-UHFFFAOYSA-N 1 1 323.357 -1.041 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)CN2CCNC(=O)C2)o1 ZINC001163881114 779871263 /nfs/dbraw/zinc/87/12/63/779871263.db2.gz YMBURJCEDXULIA-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CCNC(=O)C2)n1 ZINC001163874032 779871418 /nfs/dbraw/zinc/87/14/18/779871418.db2.gz NPBKNURCHMTTIR-UHFFFAOYSA-N 1 1 310.358 -1.594 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@H]2CCNC2=O)n1 ZINC001163944130 779874046 /nfs/dbraw/zinc/87/40/46/779874046.db2.gz SZGZYGYWYYEQKZ-SECBINFHSA-N 1 1 311.342 -1.052 20 0 DAADMO CN1CCC(CNc2nn(C)c(=O)n(C)c2=O)([NH+](C)C)CC1 ZINC001164213639 779877106 /nfs/dbraw/zinc/87/71/06/779877106.db2.gz ZYOARUDEQAXZRH-UHFFFAOYSA-N 1 1 310.402 -1.083 20 0 DAADMO CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001164535735 779879409 /nfs/dbraw/zinc/87/94/09/779879409.db2.gz CUWWGFYZYDXACL-LBPRGKRZSA-N 1 1 300.403 -1.063 20 0 DAADMO O=C1NCCN(c2ccc(OC3CC[NH2+]CC3)nn2)C12CNC2 ZINC001165301692 779881810 /nfs/dbraw/zinc/88/18/10/779881810.db2.gz AHUZNECSQWOJRJ-UHFFFAOYSA-N 1 1 318.381 -1.114 20 0 DAADMO COC(=O)[C@H]1CNCCN1c1ccc(N2CC[NH2+]CC2)nn1 ZINC001165437441 779882628 /nfs/dbraw/zinc/88/26/28/779882628.db2.gz SAAOPIGJSHDZLW-LLVKDONJSA-N 1 1 306.370 -1.163 20 0 DAADMO O=C1NCCN(c2ccc(N3CC[NH2+]CC3)cn2)C12CNC2 ZINC001165302652 779882736 /nfs/dbraw/zinc/88/27/36/779882736.db2.gz WWNBGWCNFYLYEU-UHFFFAOYSA-N 1 1 302.382 -1.231 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001165468345 779883635 /nfs/dbraw/zinc/88/36/35/779883635.db2.gz RWODQCWRPIHIFS-QMMMGPOBSA-N 1 1 311.346 -1.587 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)C1=NC(=O)N(C)C1)C(=O)NC(N)=O ZINC001165869792 779889369 /nfs/dbraw/zinc/88/93/69/779889369.db2.gz YCBXRLZUYHVVDQ-ZETCQYMHSA-N 1 1 312.330 -1.581 20 0 DAADMO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[NH2+][C@H](C(N)=O)C3)c21 ZINC001166724874 779891505 /nfs/dbraw/zinc/89/15/05/779891505.db2.gz YKSBRRPHJMWBKQ-ZETCQYMHSA-N 1 1 324.366 -1.375 20 0 DAADMO C[C@H]1C(=O)Nc2cnc(N3CC[NH2+][C@H](C(N)=O)C3)nc2N1C ZINC001166725702 779891681 /nfs/dbraw/zinc/89/16/81/779891681.db2.gz RCYOMUZTQRPIBH-CBAPKCEASA-N 1 1 305.342 -1.483 20 0 DAADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[NH2+][C@H](C(N)=O)C2)ncn1 ZINC001166724383 779891703 /nfs/dbraw/zinc/89/17/03/779891703.db2.gz PMUARLWHTCUZLU-UWVGGRQHSA-N 1 1 319.369 -1.806 20 0 DAADMO NC(=O)[C@H]1CCCN1c1cc(N2CC[NH2+][C@@H](C(N)=O)C2)ncn1 ZINC001166724381 779891762 /nfs/dbraw/zinc/89/17/62/779891762.db2.gz PMUARLWHTCUZLU-NXEZZACHSA-N 1 1 319.369 -1.806 20 0 DAADMO NC(=O)[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CC[NH2+]1 ZINC001166723680 779892047 /nfs/dbraw/zinc/89/20/47/779892047.db2.gz HXCSOJJWWYXOHO-LBPRGKRZSA-N 1 1 319.365 -1.183 20 0 DAADMO CCNS(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1 ZINC001166723569 779892375 /nfs/dbraw/zinc/89/23/75/779892375.db2.gz BBCYAJVJRXTABW-SNVBAGLBSA-N 1 1 313.383 -1.357 20 0 DAADMO CN(C)S(=O)(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)nc1 ZINC001166724728 779892429 /nfs/dbraw/zinc/89/24/29/779892429.db2.gz VDHWSUUGJHJTTR-JTQLQIEISA-N 1 1 313.383 -1.405 20 0 DAADMO NC(=O)[C@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[NH2+]1 ZINC001166724657 779892482 /nfs/dbraw/zinc/89/24/82/779892482.db2.gz SUAHPCPARBUDAJ-ZCFIWIBFSA-N 1 1 319.774 -1.354 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC001166726049 779892983 /nfs/dbraw/zinc/89/29/83/779892983.db2.gz VMIUESKSBPGXDP-VIFPVBQESA-N 1 1 309.326 -1.075 20 0 DAADMO NC(=O)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)CC[NH2+]1 ZINC001166726023 779893183 /nfs/dbraw/zinc/89/31/83/779893183.db2.gz UVWPGLFZDFWMLP-QMMMGPOBSA-N 1 1 319.774 -1.354 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166952952 779896253 /nfs/dbraw/zinc/89/62/53/779896253.db2.gz DFMCAWFDZUOSHF-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166952952 779896257 /nfs/dbraw/zinc/89/62/57/779896257.db2.gz DFMCAWFDZUOSHF-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001276420728 779898436 /nfs/dbraw/zinc/89/84/36/779898436.db2.gz CGAABSKJHVQNTR-MWLCHTKSSA-N 1 1 308.382 -1.081 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205838742 779904350 /nfs/dbraw/zinc/90/43/50/779904350.db2.gz ODALPQBURNTHRA-UHFFFAOYSA-N 1 1 323.357 -1.250 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895866 779904630 /nfs/dbraw/zinc/90/46/30/779904630.db2.gz IQJOMYMUKHFITJ-RKDXNWHRSA-N 1 1 324.345 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895866 779904635 /nfs/dbraw/zinc/90/46/35/779904635.db2.gz IQJOMYMUKHFITJ-RKDXNWHRSA-N 1 1 324.345 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937483 779905824 /nfs/dbraw/zinc/90/58/24/779905824.db2.gz SFEPZKRHASQELA-HTQZYQBOSA-N 1 1 314.346 -2.453 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937483 779905828 /nfs/dbraw/zinc/90/58/28/779905828.db2.gz SFEPZKRHASQELA-HTQZYQBOSA-N 1 1 314.346 -2.453 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205944905 779906004 /nfs/dbraw/zinc/90/60/04/779906004.db2.gz ZWSKBGBROSDYPO-MWLCHTKSSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205978687 779906103 /nfs/dbraw/zinc/90/61/03/779906103.db2.gz YVRMKILOODYLQA-OUAUKWLOSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205978687 779906105 /nfs/dbraw/zinc/90/61/05/779906105.db2.gz YVRMKILOODYLQA-OUAUKWLOSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205921682 779906397 /nfs/dbraw/zinc/90/63/97/779906397.db2.gz KMCUZMHWEITRBF-GJMOJQLCSA-N 1 1 314.346 -2.325 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205921682 779906404 /nfs/dbraw/zinc/90/64/04/779906404.db2.gz KMCUZMHWEITRBF-GJMOJQLCSA-N 1 1 314.346 -2.325 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001206065604 779906455 /nfs/dbraw/zinc/90/64/55/779906455.db2.gz JFLMANUUCDNESQ-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205936946 779906479 /nfs/dbraw/zinc/90/64/79/779906479.db2.gz CWKSKDRLTKECGQ-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053345 779906751 /nfs/dbraw/zinc/90/67/51/779906751.db2.gz HZGAOHQHXYJVAF-NXEZZACHSA-N 1 1 323.357 -1.700 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053345 779906755 /nfs/dbraw/zinc/90/67/55/779906755.db2.gz HZGAOHQHXYJVAF-NXEZZACHSA-N 1 1 323.357 -1.700 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205937865 779906812 /nfs/dbraw/zinc/90/68/12/779906812.db2.gz XOPUEQIMUPJWPO-MWLCHTKSSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205937865 779906815 /nfs/dbraw/zinc/90/68/15/779906815.db2.gz XOPUEQIMUPJWPO-MWLCHTKSSA-N 1 1 311.386 -1.383 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001206210157 779907781 /nfs/dbraw/zinc/90/77/81/779907781.db2.gz RDWMDOQTKGNKCR-KGYLQXTDSA-N 1 1 313.398 -1.044 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206130909 779907906 /nfs/dbraw/zinc/90/79/06/779907906.db2.gz SVJQSLPKCIKICC-JLLWLGSASA-N 1 1 324.381 -1.294 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206130909 779907911 /nfs/dbraw/zinc/90/79/11/779907911.db2.gz SVJQSLPKCIKICC-JLLWLGSASA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206210187 779908370 /nfs/dbraw/zinc/90/83/70/779908370.db2.gz SAQPXVUHOJBTMM-DGCLKSJQSA-N 1 1 313.398 -1.042 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206301424 779908397 /nfs/dbraw/zinc/90/83/97/779908397.db2.gz OZYZAKWNAHLZNX-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206301424 779908398 /nfs/dbraw/zinc/90/83/98/779908398.db2.gz OZYZAKWNAHLZNX-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001206478558 779908895 /nfs/dbraw/zinc/90/88/95/779908895.db2.gz AFPFIZZHQZGKGT-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnn(C)c1 ZINC001206478558 779908900 /nfs/dbraw/zinc/90/89/00/779908900.db2.gz AFPFIZZHQZGKGT-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206598376 779909190 /nfs/dbraw/zinc/90/91/90/779909190.db2.gz FBCUVERNSAJGRC-KXUCPTDWSA-N 1 1 300.359 -1.100 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206598376 779909191 /nfs/dbraw/zinc/90/91/91/779909191.db2.gz FBCUVERNSAJGRC-KXUCPTDWSA-N 1 1 300.359 -1.100 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001206698191 779910756 /nfs/dbraw/zinc/91/07/56/779910756.db2.gz FCOXAHVGNNZAQW-PSASIEDQSA-N 1 1 308.342 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001206698191 779910760 /nfs/dbraw/zinc/91/07/60/779910760.db2.gz FCOXAHVGNNZAQW-PSASIEDQSA-N 1 1 308.342 -1.416 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206747099 779910813 /nfs/dbraw/zinc/91/08/13/779910813.db2.gz ZRPKSWSQNRZMEA-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206747099 779910815 /nfs/dbraw/zinc/91/08/15/779910815.db2.gz ZRPKSWSQNRZMEA-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001206878324 779911246 /nfs/dbraw/zinc/91/12/46/779911246.db2.gz IDSHHJQZAAQUCB-KXUCPTDWSA-N 1 1 323.357 -1.530 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001206878324 779911250 /nfs/dbraw/zinc/91/12/50/779911250.db2.gz IDSHHJQZAAQUCB-KXUCPTDWSA-N 1 1 323.357 -1.530 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001206881087 779912472 /nfs/dbraw/zinc/91/24/72/779912472.db2.gz PPYSFMHJUICLOF-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001206881087 779912476 /nfs/dbraw/zinc/91/24/76/779912476.db2.gz PPYSFMHJUICLOF-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882729 779913282 /nfs/dbraw/zinc/91/32/82/779913282.db2.gz ZLAHOJKCLVYWJB-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882729 779913283 /nfs/dbraw/zinc/91/32/83/779913283.db2.gz ZLAHOJKCLVYWJB-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206904327 779913832 /nfs/dbraw/zinc/91/38/32/779913832.db2.gz PHFWXSXUXLPPMF-VPOLOUISSA-N 1 1 302.375 -1.513 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001206964871 779915466 /nfs/dbraw/zinc/91/54/66/779915466.db2.gz DZLNRLITZKBUJC-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001206965303 779915847 /nfs/dbraw/zinc/91/58/47/779915847.db2.gz WTLPNLSNCGZOCH-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001206965303 779915852 /nfs/dbraw/zinc/91/58/52/779915852.db2.gz WTLPNLSNCGZOCH-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206932775 779915860 /nfs/dbraw/zinc/91/58/60/779915860.db2.gz RCJYARIZDSICAD-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206932775 779915866 /nfs/dbraw/zinc/91/58/66/779915866.db2.gz RCJYARIZDSICAD-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001206945051 779916003 /nfs/dbraw/zinc/91/60/03/779916003.db2.gz LDPIQCJZJKRLCF-NXEZZACHSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC1(O)CCC1 ZINC001206945051 779916007 /nfs/dbraw/zinc/91/60/07/779916007.db2.gz LDPIQCJZJKRLCF-NXEZZACHSA-N 1 1 312.370 -1.077 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001207109302 779917042 /nfs/dbraw/zinc/91/70/42/779917042.db2.gz SKEJJEKTTMZDNF-KOLCDFICSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001207109303 779917187 /nfs/dbraw/zinc/91/71/87/779917187.db2.gz SKEJJEKTTMZDNF-MWLCHTKSSA-N 1 1 309.374 -1.012 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207067227 779917722 /nfs/dbraw/zinc/91/77/22/779917722.db2.gz XKSOEBSBOAURDY-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001206992789 779917849 /nfs/dbraw/zinc/91/78/49/779917849.db2.gz HZSLLWQFOSDHME-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO NC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001207258888 779918612 /nfs/dbraw/zinc/91/86/12/779918612.db2.gz UMGOVKLJILBVGG-SECBINFHSA-N 1 1 322.373 -1.243 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207177001 779918896 /nfs/dbraw/zinc/91/88/96/779918896.db2.gz GFCUKEHVLQQEQO-ONGXEEELSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1)c1nnnn1C ZINC001207268650 779919781 /nfs/dbraw/zinc/91/97/81/779919781.db2.gz XEBRXWYDWJKXFV-RKDXNWHRSA-N 1 1 310.362 -1.480 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001207384329 779921465 /nfs/dbraw/zinc/92/14/65/779921465.db2.gz LOULNRYFNUYBJM-MXWKQRLJSA-N 1 1 311.386 -1.417 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001207650313 779923083 /nfs/dbraw/zinc/92/30/83/779923083.db2.gz YMTWFJYHLFUONJ-GMTAPVOTSA-N 1 1 301.387 -1.058 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001207591751 779923218 /nfs/dbraw/zinc/92/32/18/779923218.db2.gz NRGNVFRCAFOWPM-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001207591751 779923219 /nfs/dbraw/zinc/92/32/19/779923219.db2.gz NRGNVFRCAFOWPM-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001207587656 779923503 /nfs/dbraw/zinc/92/35/03/779923503.db2.gz VPNQGIHWJXTFHN-NQBHXWOUSA-N 1 1 324.381 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207804548 779926444 /nfs/dbraw/zinc/92/64/44/779926444.db2.gz HZIGABNCBBPCTR-HRDYMLBCSA-N 1 1 320.340 -1.061 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207804548 779926449 /nfs/dbraw/zinc/92/64/49/779926449.db2.gz HZIGABNCBBPCTR-HRDYMLBCSA-N 1 1 320.340 -1.061 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207800172 779926750 /nfs/dbraw/zinc/92/67/50/779926750.db2.gz MHMGWAVITBODJL-KXUCPTDWSA-N 1 1 323.340 -1.189 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001207902916 779928750 /nfs/dbraw/zinc/92/87/50/779928750.db2.gz XTWJUVQOEIBACF-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001207897975 779928766 /nfs/dbraw/zinc/92/87/66/779928766.db2.gz JAKQCCVGHIAILL-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCN1C(=O)CCC1=O ZINC001207897848 779928995 /nfs/dbraw/zinc/92/89/95/779928995.db2.gz SIQIGLWEMHMCKW-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCN1C(=O)CCC1=O ZINC001207897848 779928998 /nfs/dbraw/zinc/92/89/98/779928998.db2.gz SIQIGLWEMHMCKW-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)S(N)(=O)=O ZINC001208105882 779933220 /nfs/dbraw/zinc/93/32/20/779933220.db2.gz RAORNNAXOUJCSW-GMTAPVOTSA-N 1 1 307.416 -1.128 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001208139478 779933437 /nfs/dbraw/zinc/93/34/37/779933437.db2.gz XQOIMOZQTLHWBD-KXUCPTDWSA-N 1 1 308.404 -2.143 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1C ZINC001208138061 779933934 /nfs/dbraw/zinc/93/39/34/779933934.db2.gz IJZMBRCGRAXKOZ-NXEZZACHSA-N 1 1 308.404 -1.877 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001208286610 779935558 /nfs/dbraw/zinc/93/55/58/779935558.db2.gz YPTWPAUMRWSDKG-ZJUUUORDSA-N 1 1 324.389 -1.219 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001208284973 779936515 /nfs/dbraw/zinc/93/65/15/779936515.db2.gz DGVCKBYOWFBWIF-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001208363599 779938200 /nfs/dbraw/zinc/93/82/00/779938200.db2.gz HWWWMEQSWSXTLR-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001208396588 779939507 /nfs/dbraw/zinc/93/95/07/779939507.db2.gz ZOLAOYJUHHNXKX-PSASIEDQSA-N 1 1 309.326 -1.152 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cnoc1 ZINC001208396588 779939513 /nfs/dbraw/zinc/93/95/13/779939513.db2.gz ZOLAOYJUHHNXKX-PSASIEDQSA-N 1 1 309.326 -1.152 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461420 779940669 /nfs/dbraw/zinc/94/06/69/779940669.db2.gz KKSDEVVBQPTWSE-GMTAPVOTSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208458291 779940976 /nfs/dbraw/zinc/94/09/76/779940976.db2.gz BWELSDGLXMOVLY-GMTAPVOTSA-N 1 1 307.416 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208464675 779940991 /nfs/dbraw/zinc/94/09/91/779940991.db2.gz LJMYVSCVPRNXCQ-OPRDCNLKSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208464675 779940999 /nfs/dbraw/zinc/94/09/99/779940999.db2.gz LJMYVSCVPRNXCQ-OPRDCNLKSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208464674 779941060 /nfs/dbraw/zinc/94/10/60/779941060.db2.gz LJMYVSCVPRNXCQ-BBBLOLIVSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208464674 779941062 /nfs/dbraw/zinc/94/10/62/779941062.db2.gz LJMYVSCVPRNXCQ-BBBLOLIVSA-N 1 1 322.365 -1.506 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450509 779941271 /nfs/dbraw/zinc/94/12/71/779941271.db2.gz UXMMISWMXDWYLZ-OUAUKWLOSA-N 1 1 303.359 -2.068 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]1 ZINC001208494057 779942793 /nfs/dbraw/zinc/94/27/93/779942793.db2.gz CRYXILAIGOXOLN-HTQZYQBOSA-N 1 1 324.341 -1.629 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]1 ZINC001208494057 779942801 /nfs/dbraw/zinc/94/28/01/779942801.db2.gz CRYXILAIGOXOLN-HTQZYQBOSA-N 1 1 324.341 -1.629 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001208575844 779943024 /nfs/dbraw/zinc/94/30/24/779943024.db2.gz XJSWNJQUFBUHES-JMSVASOKSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001208924814 779944212 /nfs/dbraw/zinc/94/42/12/779944212.db2.gz POEIGQYIHUSOJR-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209263846 779947345 /nfs/dbraw/zinc/94/73/45/779947345.db2.gz IPRBGJNPWSUTHO-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209263846 779947351 /nfs/dbraw/zinc/94/73/51/779947351.db2.gz IPRBGJNPWSUTHO-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](O)[C@H](CO)C2)O1 ZINC001209269741 779947630 /nfs/dbraw/zinc/94/76/30/779947630.db2.gz AUAAYTXPGAYWOE-CKIKVBCHSA-N 1 1 305.371 -1.465 20 0 DAADMO O=C(N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)c1cnn[nH]1 ZINC001276612109 779947647 /nfs/dbraw/zinc/94/76/47/779947647.db2.gz NCAHYLMNLTYJPY-DTWKUNHWSA-N 1 1 306.326 -1.292 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)O1 ZINC001209271046 779947696 /nfs/dbraw/zinc/94/76/96/779947696.db2.gz PHPKGOZNRUSAOW-NLRWUALESA-N 1 1 319.398 -1.075 20 0 DAADMO O=C(N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)c1cnn[nH]1 ZINC001276612111 779947919 /nfs/dbraw/zinc/94/79/19/779947919.db2.gz NCAHYLMNLTYJPY-IUCAKERBSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(N[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)c1cnn[nH]1 ZINC001276612108 779947929 /nfs/dbraw/zinc/94/79/29/779947929.db2.gz NCAHYLMNLTYJPY-BDAKNGLRSA-N 1 1 306.326 -1.292 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)C(N)=O ZINC001209217882 779948031 /nfs/dbraw/zinc/94/80/31/779948031.db2.gz SYNIMFYOMDOXHG-FKTZTGRPSA-N 1 1 313.358 -2.712 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)C(N)=O ZINC001209217882 779948035 /nfs/dbraw/zinc/94/80/35/779948035.db2.gz SYNIMFYOMDOXHG-FKTZTGRPSA-N 1 1 313.358 -2.712 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209275285 779948734 /nfs/dbraw/zinc/94/87/34/779948734.db2.gz RKSXZMNNKJDGPG-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)O1 ZINC001209276367 779948933 /nfs/dbraw/zinc/94/89/33/779948933.db2.gz CWVZMTIDHFBUBJ-CKIKVBCHSA-N 1 1 314.382 -1.072 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CCN1CCOCC1)C2 ZINC001209292662 779949236 /nfs/dbraw/zinc/94/92/36/779949236.db2.gz WLGLSJPCQZBVSX-OAHLLOKOSA-N 1 1 310.398 -1.259 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001209457148 779951973 /nfs/dbraw/zinc/95/19/73/779951973.db2.gz TXPNZBXBFNKMLY-GRYCIOLGSA-N 1 1 313.398 -1.044 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)c1N ZINC001276659111 779953982 /nfs/dbraw/zinc/95/39/82/779953982.db2.gz AIJLJRDRZQLREY-UOJUARBOSA-N 1 1 323.397 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)C1CCOCC1 ZINC001209596023 779954400 /nfs/dbraw/zinc/95/44/00/779954400.db2.gz VBOATXJIRJAZLX-DGCLKSJQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722882 779955825 /nfs/dbraw/zinc/95/58/25/779955825.db2.gz MCFKBZDUTFQEOQ-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722882 779955835 /nfs/dbraw/zinc/95/58/35/779955835.db2.gz MCFKBZDUTFQEOQ-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722502 779955944 /nfs/dbraw/zinc/95/59/44/779955944.db2.gz HDPHRICTWKEWDD-GMTAPVOTSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209869058 779956409 /nfs/dbraw/zinc/95/64/09/779956409.db2.gz JLDSUXHAIFWTBV-GRYCIOLGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209869058 779956417 /nfs/dbraw/zinc/95/64/17/779956417.db2.gz JLDSUXHAIFWTBV-GRYCIOLGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723790 779956716 /nfs/dbraw/zinc/95/67/16/779956716.db2.gz WYEVANRFTRNGSP-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209713845 779957105 /nfs/dbraw/zinc/95/71/05/779957105.db2.gz ULBUBIXDTWIMRJ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209713845 779957114 /nfs/dbraw/zinc/95/71/14/779957114.db2.gz ULBUBIXDTWIMRJ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722491 779957361 /nfs/dbraw/zinc/95/73/61/779957361.db2.gz GWRIVXWVLSKWEV-RKDXNWHRSA-N 1 1 324.345 -2.305 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722491 779957369 /nfs/dbraw/zinc/95/73/69/779957369.db2.gz GWRIVXWVLSKWEV-RKDXNWHRSA-N 1 1 324.345 -2.305 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001276677966 779957754 /nfs/dbraw/zinc/95/77/54/779957754.db2.gz LVMJEIXKFJKLKP-CHWFTXMASA-N 1 1 308.382 -1.320 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209929354 779958619 /nfs/dbraw/zinc/95/86/19/779958619.db2.gz RNLWGHPKKOWAKC-OUAUKWLOSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209929354 779958624 /nfs/dbraw/zinc/95/86/24/779958624.db2.gz RNLWGHPKKOWAKC-OUAUKWLOSA-N 1 1 324.385 -1.358 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)C(N)=O)[C@@H]2C1 ZINC001276676952 779958764 /nfs/dbraw/zinc/95/87/64/779958764.db2.gz DTPWBIYYRHQQOH-KKOKHZNYSA-N 1 1 313.398 -1.201 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cncn1C ZINC001210282732 779961692 /nfs/dbraw/zinc/96/16/92/779961692.db2.gz BBQMKVLVLQGCFK-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cncn1C ZINC001210282732 779961697 /nfs/dbraw/zinc/96/16/97/779961697.db2.gz BBQMKVLVLQGCFK-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001210883891 779965229 /nfs/dbraw/zinc/96/52/29/779965229.db2.gz RWBLMVNDRKYOIE-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001210883891 779965240 /nfs/dbraw/zinc/96/52/40/779965240.db2.gz RWBLMVNDRKYOIE-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001210883466 779965281 /nfs/dbraw/zinc/96/52/81/779965281.db2.gz PRKSQUWBVHMRKF-GMTAPVOTSA-N 1 1 312.370 -1.207 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210891022 779965403 /nfs/dbraw/zinc/96/54/03/779965403.db2.gz OFEUMYYHPQRTPP-GMTAPVOTSA-N 1 1 302.375 -1.511 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001211002947 779966512 /nfs/dbraw/zinc/96/65/12/779966512.db2.gz XWBRRQKVIDKFHG-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001211001098 779967015 /nfs/dbraw/zinc/96/70/15/779967015.db2.gz KQAOXMYDXDVYCL-UWVGGRQHSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001211452379 779970016 /nfs/dbraw/zinc/97/00/16/779970016.db2.gz WWXNLXGGYFRNSI-GMTAPVOTSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001211452379 779970023 /nfs/dbraw/zinc/97/00/23/779970023.db2.gz WWXNLXGGYFRNSI-GMTAPVOTSA-N 1 1 322.369 -1.097 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCCCNC(N)=O ZINC001213139468 779971003 /nfs/dbraw/zinc/97/10/03/779971003.db2.gz RKBDJCBZDUTSOP-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1csnn1 ZINC001213226396 779971170 /nfs/dbraw/zinc/97/11/70/779971170.db2.gz NBXVDSPVXFFULZ-MWLCHTKSSA-N 1 1 316.383 -1.024 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1csnn1 ZINC001213226396 779971178 /nfs/dbraw/zinc/97/11/78/779971178.db2.gz NBXVDSPVXFFULZ-MWLCHTKSSA-N 1 1 316.383 -1.024 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC)c1cnn(C)c1 ZINC001213228806 779971466 /nfs/dbraw/zinc/97/14/66/779971466.db2.gz XRQQQWKHKINMEW-JHJVBQTASA-N 1 1 312.370 -1.085 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC)c1cnn(C)c1 ZINC001213228806 779971470 /nfs/dbraw/zinc/97/14/70/779971470.db2.gz XRQQQWKHKINMEW-JHJVBQTASA-N 1 1 312.370 -1.085 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC)S(N)(=O)=O ZINC001213217432 779972239 /nfs/dbraw/zinc/97/22/39/779972239.db2.gz UOXLSENRACCWLW-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC)S(N)(=O)=O ZINC001213217432 779972241 /nfs/dbraw/zinc/97/22/41/779972241.db2.gz UOXLSENRACCWLW-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCN1C(=O)CCC1=O ZINC001213143100 779972340 /nfs/dbraw/zinc/97/23/40/779972340.db2.gz AMFDGYNQSPWLFG-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](OC)C1 ZINC001213297876 779973946 /nfs/dbraw/zinc/97/39/46/779973946.db2.gz VXJGUTQPGQAYAC-WNWFYDSVSA-N 1 1 314.382 -1.299 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C(N)=O ZINC001213353159 779975299 /nfs/dbraw/zinc/97/52/99/779975299.db2.gz STBWISPVXFHMRA-IJLUTSLNSA-N 1 1 317.386 -1.679 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)C(N)=O ZINC001213353159 779975310 /nfs/dbraw/zinc/97/53/10/779975310.db2.gz STBWISPVXFHMRA-IJLUTSLNSA-N 1 1 317.386 -1.679 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001213353051 779975502 /nfs/dbraw/zinc/97/55/02/779975502.db2.gz OOXAUTPQECLVGU-IJLUTSLNSA-N 1 1 315.370 -1.517 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001213355243 779975588 /nfs/dbraw/zinc/97/55/88/779975588.db2.gz OYZUSHLTBVKMAA-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC001213489215 779976367 /nfs/dbraw/zinc/97/63/67/779976367.db2.gz PRPAOKLHESYTOM-JHJVBQTASA-N 1 1 312.370 -1.225 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@H](OC)C1 ZINC001213480930 779976525 /nfs/dbraw/zinc/97/65/25/779976525.db2.gz POTQHCUDYIAVFJ-YNEHKIRRSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001213442047 779977574 /nfs/dbraw/zinc/97/75/74/779977574.db2.gz KDXWRQZVGRCXGJ-WRWGMCAJSA-N 1 1 315.370 -2.068 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001213454306 779977695 /nfs/dbraw/zinc/97/76/95/779977695.db2.gz VYCXZAWVHZMOIC-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502405 779978717 /nfs/dbraw/zinc/97/87/17/779978717.db2.gz FLNSMFVNHGIWKY-NXEZZACHSA-N 1 1 308.404 -1.782 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ncccn1 ZINC001213602415 779980950 /nfs/dbraw/zinc/98/09/50/779980950.db2.gz JRMZVJHTBLVBSO-VXGBXAGGSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ncccn1 ZINC001213602415 779980953 /nfs/dbraw/zinc/98/09/53/779980953.db2.gz JRMZVJHTBLVBSO-VXGBXAGGSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCN1CCOCC1 ZINC001213578338 779981073 /nfs/dbraw/zinc/98/10/73/779981073.db2.gz MICDJNQRLOIQOE-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001213620691 779981391 /nfs/dbraw/zinc/98/13/91/779981391.db2.gz VOHICRVOQWAMDL-JHJVBQTASA-N 1 1 324.385 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615556 779981460 /nfs/dbraw/zinc/98/14/60/779981460.db2.gz DGZUQWQBXXSCBT-QJPTWQEYSA-N 1 1 312.370 -1.225 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213787666 779982908 /nfs/dbraw/zinc/98/29/08/779982908.db2.gz MSCBGDTYXVCYOM-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 ZINC001213700752 779983324 /nfs/dbraw/zinc/98/33/24/779983324.db2.gz YAZSKWQRERYQNF-HBNTYKKESA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001213700752 779983329 /nfs/dbraw/zinc/98/33/29/779983329.db2.gz YAZSKWQRERYQNF-HBNTYKKESA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001213700752 779983334 /nfs/dbraw/zinc/98/33/34/779983334.db2.gz YAZSKWQRERYQNF-HBNTYKKESA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](OC)C1 ZINC001213857688 779984464 /nfs/dbraw/zinc/98/44/64/779984464.db2.gz SJWWQFYMCGHBSJ-RAIGVLPGSA-N 1 1 312.370 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001213829065 779984527 /nfs/dbraw/zinc/98/45/27/779984527.db2.gz MREHLJCHTUJOGM-QJPTWQEYSA-N 1 1 314.386 -1.103 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001213829335 779985405 /nfs/dbraw/zinc/98/54/05/779985405.db2.gz QSYOEYSGSZSZNG-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857810 779985383 /nfs/dbraw/zinc/98/53/83/779985383.db2.gz XHBIMJJPHBYXCU-MGPQQGTHSA-N 1 1 315.414 -1.238 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857810 779985385 /nfs/dbraw/zinc/98/53/85/779985385.db2.gz XHBIMJJPHBYXCU-MGPQQGTHSA-N 1 1 315.414 -1.238 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857164 779985612 /nfs/dbraw/zinc/98/56/12/779985612.db2.gz GVONAZBSWHZEMF-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1 ZINC001213874404 779986099 /nfs/dbraw/zinc/98/60/99/779986099.db2.gz SICFARXSGDLVTL-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](OC)C1 ZINC001213874404 779986106 /nfs/dbraw/zinc/98/61/06/779986106.db2.gz SICFARXSGDLVTL-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@H](OC)C1 ZINC001213923859 779986303 /nfs/dbraw/zinc/98/63/03/779986303.db2.gz NIQXSHURGYLESJ-UMSGYPCISA-N 1 1 302.371 -1.012 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1OC ZINC001213868036 779986385 /nfs/dbraw/zinc/98/63/85/779986385.db2.gz HDKZNGPOCNLXPP-GHMZBOCLSA-N 1 1 305.400 -1.239 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213872212 779986620 /nfs/dbraw/zinc/98/66/20/779986620.db2.gz XQHJHVFCFYLSFV-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213874262 779986664 /nfs/dbraw/zinc/98/66/64/779986664.db2.gz LZYJDBQIYXJGIG-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213874262 779986668 /nfs/dbraw/zinc/98/66/68/779986668.db2.gz LZYJDBQIYXJGIG-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213920342 779986905 /nfs/dbraw/zinc/98/69/05/779986905.db2.gz WNCRELMLQOODLV-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1OC ZINC001213868338 779987233 /nfs/dbraw/zinc/98/72/33/779987233.db2.gz QEJCYAOHVWJQBO-NXEZZACHSA-N 1 1 311.379 -1.289 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC(N)=O ZINC001213983643 779988126 /nfs/dbraw/zinc/98/81/26/779988126.db2.gz QZGXYWAPWAIJQA-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCCC(N)=O ZINC001213983643 779988135 /nfs/dbraw/zinc/98/81/35/779988135.db2.gz QZGXYWAPWAIJQA-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001276707475 779988409 /nfs/dbraw/zinc/98/84/09/779988409.db2.gz HCGJUARMCYASNO-DBIOUOCHSA-N 1 1 308.382 -1.320 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCCC(N)=O ZINC001213983776 779989078 /nfs/dbraw/zinc/98/90/78/779989078.db2.gz YDDJBKVNTZLMGG-VXGBXAGGSA-N 1 1 317.386 -1.534 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)nn1 ZINC001214118762 779990375 /nfs/dbraw/zinc/99/03/75/779990375.db2.gz XQILZJRYZIRSQS-MWLCHTKSSA-N 1 1 309.374 -1.097 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)c1nncn1C ZINC001214121564 779992010 /nfs/dbraw/zinc/99/20/10/779992010.db2.gz IGTOMHCEHLBVIN-KXUCPTDWSA-N 1 1 309.374 -1.019 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001214508178 779996143 /nfs/dbraw/zinc/99/61/43/779996143.db2.gz FWBGGZJRRXQHHH-KXUCPTDWSA-N 1 1 309.374 -1.192 20 0 DAADMO COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215495506 780009293 /nfs/dbraw/zinc/00/92/93/780009293.db2.gz BZXRKBNLMWOQOH-MXWKQRLJSA-N 1 1 312.374 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C(=O)NC)CCC3)[C@@H]2C1 ZINC001276739419 780013083 /nfs/dbraw/zinc/01/30/83/780013083.db2.gz UYVAILJYIONGML-CNDDSTCGSA-N 1 1 322.409 -1.057 20 0 DAADMO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001276737307 780013136 /nfs/dbraw/zinc/01/31/36/780013136.db2.gz JLVPFNIWAFBXLC-CNDDSTCGSA-N 1 1 324.381 -1.131 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001276739387 780013216 /nfs/dbraw/zinc/01/32/16/780013216.db2.gz URGHVGWNHWOPLM-XYYAHUGASA-N 1 1 309.370 -1.419 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001216715828 780013995 /nfs/dbraw/zinc/01/39/95/780013995.db2.gz UVMJLBWKXNJMRY-MWLCHTKSSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001216715605 780014141 /nfs/dbraw/zinc/01/41/41/780014141.db2.gz JZDNMEHXABNABR-NXEZZACHSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216756055 780014902 /nfs/dbraw/zinc/01/49/02/780014902.db2.gz QAQDKUXAMLNCGI-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276750893 780017581 /nfs/dbraw/zinc/01/75/81/780017581.db2.gz RMSXZOCAIYTROF-KKOKHZNYSA-N 1 1 309.366 -1.020 20 0 DAADMO CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217271322 780019707 /nfs/dbraw/zinc/01/97/07/780019707.db2.gz ZZXWOYAXYMXYAX-NWDGAFQWSA-N 1 1 314.386 -1.009 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001217315688 780021352 /nfs/dbraw/zinc/02/13/52/780021352.db2.gz CCLMEOFUKFXHNN-WCFLWFBJSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001217315688 780021361 /nfs/dbraw/zinc/02/13/61/780021361.db2.gz CCLMEOFUKFXHNN-WCFLWFBJSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001217315688 780021371 /nfs/dbraw/zinc/02/13/71/780021371.db2.gz CCLMEOFUKFXHNN-WCFLWFBJSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001217315688 780021378 /nfs/dbraw/zinc/02/13/78/780021378.db2.gz CCLMEOFUKFXHNN-WCFLWFBJSA-N 1 1 310.354 -1.058 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248754 780021526 /nfs/dbraw/zinc/02/15/26/780021526.db2.gz LGDCPZSYPPHIGZ-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001217388093 780022671 /nfs/dbraw/zinc/02/26/71/780022671.db2.gz PVUJVBCOHWMLMA-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)C3CC3)[C@H]2C1 ZINC001217388095 780023016 /nfs/dbraw/zinc/02/30/16/780023016.db2.gz PWAKNMHWKAMRHC-KGYLQXTDSA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)c1 ZINC001217631215 780023897 /nfs/dbraw/zinc/02/38/97/780023897.db2.gz KGWJXENYUUFZNC-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)c1 ZINC001217631215 780023904 /nfs/dbraw/zinc/02/39/04/780023904.db2.gz KGWJXENYUUFZNC-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO COCCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001217560864 780024208 /nfs/dbraw/zinc/02/42/08/780024208.db2.gz QTFDGEGGKDVAKD-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217689731 780024500 /nfs/dbraw/zinc/02/45/00/780024500.db2.gz BHXGWMMHDHTWJJ-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217689731 780024508 /nfs/dbraw/zinc/02/45/08/780024508.db2.gz BHXGWMMHDHTWJJ-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc[nH]n3)[C@H]2C1 ZINC001217584793 780024800 /nfs/dbraw/zinc/02/48/00/780024800.db2.gz GFGQFQWPDDNBEX-HZSPNIEDSA-N 1 1 324.381 -1.129 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001217584793 780024811 /nfs/dbraw/zinc/02/48/11/780024811.db2.gz GFGQFQWPDDNBEX-HZSPNIEDSA-N 1 1 324.381 -1.129 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001217584793 780024819 /nfs/dbraw/zinc/02/48/19/780024819.db2.gz GFGQFQWPDDNBEX-HZSPNIEDSA-N 1 1 324.381 -1.129 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN(C)S(C)(=O)=O)[C@H]2C1 ZINC001218048593 780026735 /nfs/dbraw/zinc/02/67/35/780026735.db2.gz HLDGDZGEDNNIJE-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](O)C(C)C)[C@H]2C1 ZINC001217770160 780027124 /nfs/dbraw/zinc/02/71/24/780027124.db2.gz CIFKYKVXOGAGDM-XJFOESAGSA-N 1 1 316.398 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ncc[nH]3)[C@H]2C1 ZINC001217827339 780027500 /nfs/dbraw/zinc/02/75/00/780027500.db2.gz WFJMUXBFFPLLGV-GRYCIOLGSA-N 1 1 310.354 -1.058 20 0 DAADMO C[C@H](CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)NC(N)=O ZINC001217894464 780027622 /nfs/dbraw/zinc/02/76/22/780027622.db2.gz DZTZIGXVQJWNQC-OUAUKWLOSA-N 1 1 300.359 -1.663 20 0 DAADMO C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)NC(N)=O ZINC001217894464 780027628 /nfs/dbraw/zinc/02/76/28/780027628.db2.gz DZTZIGXVQJWNQC-OUAUKWLOSA-N 1 1 300.359 -1.663 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218220350 780028293 /nfs/dbraw/zinc/02/82/93/780028293.db2.gz RYPYZWJJHFZYOL-NWDGAFQWSA-N 1 1 311.342 -1.661 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218220350 780028311 /nfs/dbraw/zinc/02/83/11/780028311.db2.gz RYPYZWJJHFZYOL-NWDGAFQWSA-N 1 1 311.342 -1.661 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cncn3C)[C@H]2C1 ZINC001218242700 780028707 /nfs/dbraw/zinc/02/87/07/780028707.db2.gz PHAWNPZYPKJWSU-FPMFFAJLSA-N 1 1 324.381 -1.047 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219597 780029343 /nfs/dbraw/zinc/02/93/43/780029343.db2.gz AXGPJXIOWNGROF-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219597 780029348 /nfs/dbraw/zinc/02/93/48/780029348.db2.gz AXGPJXIOWNGROF-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO Cn1nccc1COCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218153879 780029624 /nfs/dbraw/zinc/02/96/24/780029624.db2.gz LJMUQTPXOTZSIS-UONOGXRCSA-N 1 1 324.381 -1.159 20 0 DAADMO Cn1nccc1COCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218153879 780029629 /nfs/dbraw/zinc/02/96/29/780029629.db2.gz LJMUQTPXOTZSIS-UONOGXRCSA-N 1 1 324.381 -1.159 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnn2cccc12 ZINC001218563860 780032401 /nfs/dbraw/zinc/03/24/01/780032401.db2.gz DYGDGNTXHVXCPZ-NSHDSACASA-N 1 1 303.370 -1.160 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CNC(=O)N3)[C@H]2C1 ZINC001218543648 780032493 /nfs/dbraw/zinc/03/24/93/780032493.db2.gz SXQHLFAZGUITOB-GRYCIOLGSA-N 1 1 312.370 -1.384 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 ZINC001218543649 780032856 /nfs/dbraw/zinc/03/28/56/780032856.db2.gz SXQHLFAZGUITOB-SDDRHHMPSA-N 1 1 312.370 -1.384 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CCCS(N)(=O)=O)[C@H]2C1 ZINC001218566445 780033457 /nfs/dbraw/zinc/03/34/57/780033457.db2.gz PGVOXMHTZVAOJO-WDEREUQCSA-N 1 1 305.400 -1.013 20 0 DAADMO C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CNC(=O)N3)cn2)CC1 ZINC001218579388 780034495 /nfs/dbraw/zinc/03/44/95/780034495.db2.gz DNVBSJXICRMICZ-JTQLQIEISA-N 1 1 305.342 -1.152 20 0 DAADMO NC(=O)c1nccnc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218618559 780037426 /nfs/dbraw/zinc/03/74/26/780037426.db2.gz RIZJITJKBZBSTA-SECBINFHSA-N 1 1 307.358 -1.736 20 0 DAADMO Cc1nc2[nH]cnc2c(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001218699060 780038431 /nfs/dbraw/zinc/03/84/31/780038431.db2.gz BHOOVAGNZHUTCU-QMMMGPOBSA-N 1 1 303.326 -1.070 20 0 DAADMO COCCO[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218716292 780038460 /nfs/dbraw/zinc/03/84/60/780038460.db2.gz YBAQIQRJMFYQRL-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO COCCO[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218716292 780038466 /nfs/dbraw/zinc/03/84/66/780038466.db2.gz YBAQIQRJMFYQRL-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218696431 780038960 /nfs/dbraw/zinc/03/89/60/780038960.db2.gz BPPBGVQYQKPIHL-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218696431 780038963 /nfs/dbraw/zinc/03/89/63/780038963.db2.gz BPPBGVQYQKPIHL-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO Cc1nc2[nH]cnc2c(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001218699054 780039979 /nfs/dbraw/zinc/03/99/79/780039979.db2.gz BHOOVAGNZHUTCU-MRVPVSSYSA-N 1 1 303.326 -1.070 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751213 780041693 /nfs/dbraw/zinc/04/16/93/780041693.db2.gz RWRHTEVAGJYGIL-VIFPVBQESA-N 1 1 316.339 -1.052 20 0 DAADMO COCCCOCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218932020 780043086 /nfs/dbraw/zinc/04/30/86/780043086.db2.gz XEBLWDOMJZCKBT-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCCCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218932020 780043096 /nfs/dbraw/zinc/04/30/96/780043096.db2.gz XEBLWDOMJZCKBT-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC3CC3)[C@H]2C1 ZINC001218865818 780043282 /nfs/dbraw/zinc/04/32/82/780043282.db2.gz CVXCREYSIFAFRM-WCFLWFBJSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC3CC3)[C@H]2C1 ZINC001218865818 780043288 /nfs/dbraw/zinc/04/32/88/780043288.db2.gz CVXCREYSIFAFRM-WCFLWFBJSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ncc[nH]3)[C@H]2C1 ZINC001218838652 780043495 /nfs/dbraw/zinc/04/34/95/780043495.db2.gz HMPGMAWLADXZQP-FRRDWIJNSA-N 1 1 324.381 -1.129 20 0 DAADMO O=C(c1nc[nH]n1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218797200 780044012 /nfs/dbraw/zinc/04/40/12/780044012.db2.gz MHYCLNRVZIGTJR-WDEREUQCSA-N 1 1 311.342 -1.661 20 0 DAADMO O=C(c1nc[nH]n1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218797200 780044027 /nfs/dbraw/zinc/04/40/27/780044027.db2.gz MHYCLNRVZIGTJR-WDEREUQCSA-N 1 1 311.342 -1.661 20 0 DAADMO NC(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001219026622 780044994 /nfs/dbraw/zinc/04/49/94/780044994.db2.gz CNAZDPVHBGPSJX-WDEREUQCSA-N 1 1 300.359 -1.661 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052094 780045356 /nfs/dbraw/zinc/04/53/56/780045356.db2.gz FJFOYOXTZHKRCG-QWHCGFSZSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@H](O)CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970566 780045669 /nfs/dbraw/zinc/04/56/69/780045669.db2.gz JVYIIHYPDRBEJC-MELADBBJSA-N 1 1 315.414 -1.143 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3)[C@H]2C1 ZINC001219068982 780045868 /nfs/dbraw/zinc/04/58/68/780045868.db2.gz SEOYLFMZUOPCIA-MELADBBJSA-N 1 1 324.381 -1.198 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219027027 780046040 /nfs/dbraw/zinc/04/60/40/780046040.db2.gz ZSHWZZBCBOIFOH-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO CCOCCOCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219056331 780046228 /nfs/dbraw/zinc/04/62/28/780046228.db2.gz YHOITGXOCOHZRR-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO CCOCCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219056331 780046231 /nfs/dbraw/zinc/04/62/31/780046231.db2.gz YHOITGXOCOHZRR-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080872 780047100 /nfs/dbraw/zinc/04/71/00/780047100.db2.gz UAGVHIFBGKXNSU-XQQFMLRXSA-N 1 1 302.371 -1.418 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219080391 780047813 /nfs/dbraw/zinc/04/78/13/780047813.db2.gz IOMJCYLSCKHRPR-XQQFMLRXSA-N 1 1 312.370 -1.558 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079424 780047948 /nfs/dbraw/zinc/04/79/48/780047948.db2.gz XSBOGVZAFYSNDT-ZJUUUORDSA-N 1 1 309.313 -1.435 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079424 780047959 /nfs/dbraw/zinc/04/79/59/780047959.db2.gz XSBOGVZAFYSNDT-ZJUUUORDSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219091474 780048999 /nfs/dbraw/zinc/04/89/99/780048999.db2.gz NWXCSGQJEHYMKX-TUAOUCFPSA-N 1 1 315.370 -2.223 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219091474 780049003 /nfs/dbraw/zinc/04/90/03/780049003.db2.gz NWXCSGQJEHYMKX-TUAOUCFPSA-N 1 1 315.370 -2.223 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219091251 780049462 /nfs/dbraw/zinc/04/94/62/780049462.db2.gz IKVZBFHHWNTXRC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219091251 780049470 /nfs/dbraw/zinc/04/94/70/780049470.db2.gz IKVZBFHHWNTXRC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219102129 780050548 /nfs/dbraw/zinc/05/05/48/780050548.db2.gz SUZQZUQHUKYHPO-NEPJUHHUSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219102129 780050552 /nfs/dbraw/zinc/05/05/52/780050552.db2.gz SUZQZUQHUKYHPO-NEPJUHHUSA-N 1 1 312.370 -2.094 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219093305 780050831 /nfs/dbraw/zinc/05/08/31/780050831.db2.gz QIANMSKJBNKNKS-NEPJUHHUSA-N 1 1 303.359 -2.053 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219093305 780050837 /nfs/dbraw/zinc/05/08/37/780050837.db2.gz QIANMSKJBNKNKS-NEPJUHHUSA-N 1 1 303.359 -2.053 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C2)cn1 ZINC001219110029 780051962 /nfs/dbraw/zinc/05/19/62/780051962.db2.gz BKJSGLARQPQALL-KGLIPLIRSA-N 1 1 323.397 -1.257 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219106723 780052492 /nfs/dbraw/zinc/05/24/92/780052492.db2.gz AVEOGDANIXIYHS-CABCVRRESA-N 1 1 321.377 -1.024 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219111964 780052666 /nfs/dbraw/zinc/05/26/66/780052666.db2.gz NALNWQKGHVJMQS-OUAUKWLOSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219111964 780052679 /nfs/dbraw/zinc/05/26/79/780052679.db2.gz NALNWQKGHVJMQS-OUAUKWLOSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219105098 780053113 /nfs/dbraw/zinc/05/31/13/780053113.db2.gz PZCBVUMEJQPZLG-OLZOCXBDSA-N 1 1 322.365 -1.817 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219107165 780053481 /nfs/dbraw/zinc/05/34/81/780053481.db2.gz UNEIJOWXTHGHEK-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001219107165 780053485 /nfs/dbraw/zinc/05/34/85/780053485.db2.gz UNEIJOWXTHGHEK-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 ZINC001219122961 780054471 /nfs/dbraw/zinc/05/44/71/780054471.db2.gz LAKPEFLNLQEWNS-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 ZINC001219122961 780054475 /nfs/dbraw/zinc/05/44/75/780054475.db2.gz LAKPEFLNLQEWNS-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001219135684 780054971 /nfs/dbraw/zinc/05/49/71/780054971.db2.gz GLYMLWWZWLZJNO-IEBDPFPHSA-N 1 1 312.326 -2.036 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219145049 780055878 /nfs/dbraw/zinc/05/58/78/780055878.db2.gz DSKMNHMNEXRWRX-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219145049 780055883 /nfs/dbraw/zinc/05/58/83/780055883.db2.gz DSKMNHMNEXRWRX-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151351 780055972 /nfs/dbraw/zinc/05/59/72/780055972.db2.gz IVPZCTWZZCWKFH-RTXFEEFZSA-N 1 1 317.386 -1.665 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151351 780055977 /nfs/dbraw/zinc/05/59/77/780055977.db2.gz IVPZCTWZZCWKFH-RTXFEEFZSA-N 1 1 317.386 -1.665 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219141535 780056015 /nfs/dbraw/zinc/05/60/15/780056015.db2.gz ZOSVKCZWURNMOZ-UPJWGTAASA-N 1 1 312.370 -1.558 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219151925 780057485 /nfs/dbraw/zinc/05/74/85/780057485.db2.gz UGZPETUBOYDHLC-HONMWMINSA-N 1 1 323.397 -1.352 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219151800 780057705 /nfs/dbraw/zinc/05/77/05/780057705.db2.gz QXORJVWCWWSMGY-GDLCADMTSA-N 1 1 323.397 -1.352 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219151801 780057765 /nfs/dbraw/zinc/05/77/65/780057765.db2.gz QXORJVWCWWSMGY-HONMWMINSA-N 1 1 323.397 -1.352 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219154112 780058136 /nfs/dbraw/zinc/05/81/36/780058136.db2.gz XGRNVDUFNAOKRO-TUAOUCFPSA-N 1 1 314.411 -1.232 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163210 780059103 /nfs/dbraw/zinc/05/91/03/780059103.db2.gz KJWBJBOCPWCFRI-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163202 780059762 /nfs/dbraw/zinc/05/97/62/780059762.db2.gz JUFOGFCFCQGARV-BBBLOLIVSA-N 1 1 315.374 -2.140 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163202 780059766 /nfs/dbraw/zinc/05/97/66/780059766.db2.gz JUFOGFCFCQGARV-BBBLOLIVSA-N 1 1 315.374 -2.140 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001219158907 780059853 /nfs/dbraw/zinc/05/98/53/780059853.db2.gz UQWKSAKJJIWULG-MNOVXSKESA-N 1 1 300.338 -1.026 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158586 780060360 /nfs/dbraw/zinc/06/03/60/780060360.db2.gz IKTNUSWYGQAXQE-MNOVXSKESA-N 1 1 314.346 -2.503 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158586 780060369 /nfs/dbraw/zinc/06/03/69/780060369.db2.gz IKTNUSWYGQAXQE-MNOVXSKESA-N 1 1 314.346 -2.503 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219163023 780060383 /nfs/dbraw/zinc/06/03/83/780060383.db2.gz BZJHFUIRFREBDO-OLZOCXBDSA-N 1 1 322.365 -1.105 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001219163023 780060390 /nfs/dbraw/zinc/06/03/90/780060390.db2.gz BZJHFUIRFREBDO-OLZOCXBDSA-N 1 1 322.365 -1.105 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001219168629 780061032 /nfs/dbraw/zinc/06/10/32/780061032.db2.gz JQGVVSLAXBVYAF-MXWKQRLJSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001219168580 780061242 /nfs/dbraw/zinc/06/12/42/780061242.db2.gz GYPOAJVZCZDQSJ-MXWKQRLJSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219168458 780062126 /nfs/dbraw/zinc/06/21/26/780062126.db2.gz DGOKLYVEBXPWIG-ZJUUUORDSA-N 1 1 313.383 -1.485 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219168458 780062131 /nfs/dbraw/zinc/06/21/31/780062131.db2.gz DGOKLYVEBXPWIG-ZJUUUORDSA-N 1 1 313.383 -1.485 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001219168351 780062194 /nfs/dbraw/zinc/06/21/94/780062194.db2.gz ADRUJHUNHQQWBF-AXFHLTTASA-N 1 1 300.359 -1.757 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001219168352 780062209 /nfs/dbraw/zinc/06/22/09/780062209.db2.gz ADRUJHUNHQQWBF-MXWKQRLJSA-N 1 1 300.359 -1.757 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001219169215 780063043 /nfs/dbraw/zinc/06/30/43/780063043.db2.gz YXKZZNQRYQZCIG-UPJWGTAASA-N 1 1 322.365 -1.450 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219169065 780063190 /nfs/dbraw/zinc/06/31/90/780063190.db2.gz USDMKIFSAXOATC-SFYZADRCSA-N 1 1 310.301 -1.902 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219169065 780063195 /nfs/dbraw/zinc/06/31/95/780063195.db2.gz USDMKIFSAXOATC-SFYZADRCSA-N 1 1 310.301 -1.902 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219169100 780063723 /nfs/dbraw/zinc/06/37/23/780063723.db2.gz WFQXLVAYHMNFID-TUAOUCFPSA-N 1 1 314.386 -1.225 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219210518 780065730 /nfs/dbraw/zinc/06/57/30/780065730.db2.gz NFGLXAGHZSPPLF-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219210518 780065737 /nfs/dbraw/zinc/06/57/37/780065737.db2.gz NFGLXAGHZSPPLF-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219207101 780066220 /nfs/dbraw/zinc/06/62/20/780066220.db2.gz XLZUZJNWZHFCPT-UPJWGTAASA-N 1 1 311.386 -1.010 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001219211939 780066904 /nfs/dbraw/zinc/06/69/04/780066904.db2.gz FIJKPFRDJPRYIJ-AGIUHOORSA-N 1 1 302.371 -1.012 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)[nH]n1 ZINC001219208593 780066930 /nfs/dbraw/zinc/06/69/30/780066930.db2.gz QBXTYUHEQZFNGM-UHTWSYAYSA-N 1 1 312.370 -1.246 20 0 DAADMO CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219205179 780067142 /nfs/dbraw/zinc/06/71/42/780067142.db2.gz XEYRVJQJCAMUKE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219205179 780067150 /nfs/dbraw/zinc/06/71/50/780067150.db2.gz XEYRVJQJCAMUKE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001219211940 780067170 /nfs/dbraw/zinc/06/71/70/780067170.db2.gz FIJKPFRDJPRYIJ-FRRDWIJNSA-N 1 1 302.371 -1.012 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219221857 780067896 /nfs/dbraw/zinc/06/78/96/780067896.db2.gz KRKWSTLVPLLDJQ-MNOVXSKESA-N 1 1 323.340 -1.092 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219221857 780067901 /nfs/dbraw/zinc/06/79/01/780067901.db2.gz KRKWSTLVPLLDJQ-MNOVXSKESA-N 1 1 323.340 -1.092 20 0 DAADMO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219237558 780069228 /nfs/dbraw/zinc/06/92/28/780069228.db2.gz CDNNNCSBFINBNT-UPJWGTAASA-N 1 1 302.371 -1.274 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253330 780072003 /nfs/dbraw/zinc/07/20/03/780072003.db2.gz OVDVSUCWRMCQBK-UPJWGTAASA-N 1 1 302.371 -1.418 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219248362 780072138 /nfs/dbraw/zinc/07/21/38/780072138.db2.gz QOEGRPSDRXMFRV-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219246117 780072210 /nfs/dbraw/zinc/07/22/10/780072210.db2.gz JGIKJKNMLCWWEI-AXFHLTTASA-N 1 1 316.427 -1.076 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219246117 780072218 /nfs/dbraw/zinc/07/22/18/780072218.db2.gz JGIKJKNMLCWWEI-AXFHLTTASA-N 1 1 316.427 -1.076 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219259456 780073896 /nfs/dbraw/zinc/07/38/96/780073896.db2.gz HENGVQBMRMCXLU-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219287164 780077471 /nfs/dbraw/zinc/07/74/71/780077471.db2.gz WLKCVPWBIGTVLC-AXFHLTTASA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219287164 780077478 /nfs/dbraw/zinc/07/74/78/780077478.db2.gz WLKCVPWBIGTVLC-AXFHLTTASA-N 1 1 300.359 -1.792 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219275169 780077674 /nfs/dbraw/zinc/07/76/74/780077674.db2.gz YJVZMNPVDLSMQN-MXWKQRLJSA-N 1 1 301.343 -1.460 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219330008 780081900 /nfs/dbraw/zinc/08/19/00/780081900.db2.gz BBCFSIWJFMOHHC-WOPDTQHZSA-N 1 1 314.386 -1.402 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219330008 780081907 /nfs/dbraw/zinc/08/19/07/780081907.db2.gz BBCFSIWJFMOHHC-WOPDTQHZSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219339271 780082511 /nfs/dbraw/zinc/08/25/11/780082511.db2.gz SZECGINMJPJHOP-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219339271 780082521 /nfs/dbraw/zinc/08/25/21/780082521.db2.gz SZECGINMJPJHOP-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219350912 780082666 /nfs/dbraw/zinc/08/26/66/780082666.db2.gz QXTJFYILYJQDHX-TUAOUCFPSA-N 1 1 317.386 -1.929 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219337204 780082759 /nfs/dbraw/zinc/08/27/59/780082759.db2.gz SKPWQSDWYGYYDQ-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219374305 780085572 /nfs/dbraw/zinc/08/55/72/780085572.db2.gz VOMUIFNBOJDJNH-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219374305 780085578 /nfs/dbraw/zinc/08/55/78/780085578.db2.gz VOMUIFNBOJDJNH-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)cn1 ZINC001219374266 780085623 /nfs/dbraw/zinc/08/56/23/780085623.db2.gz SVMMOHSLJUKTJG-XQQFMLRXSA-N 1 1 312.370 -1.315 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219387427 780089238 /nfs/dbraw/zinc/08/92/38/780089238.db2.gz COKVGRBDHBCESS-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219387427 780089246 /nfs/dbraw/zinc/08/92/46/780089246.db2.gz COKVGRBDHBCESS-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219394599 780090405 /nfs/dbraw/zinc/09/04/05/780090405.db2.gz LCFPZVODXMVHAB-AXFHLTTASA-N 1 1 302.371 -1.230 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219394599 780090411 /nfs/dbraw/zinc/09/04/11/780090411.db2.gz LCFPZVODXMVHAB-AXFHLTTASA-N 1 1 302.371 -1.230 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404093 780091484 /nfs/dbraw/zinc/09/14/84/780091484.db2.gz GAJIPWFISBNAIP-UTUOFQBUSA-N 1 1 317.386 -1.943 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219411762 780092439 /nfs/dbraw/zinc/09/24/39/780092439.db2.gz WTXJAVWEOKJLPN-MCIONIFRSA-N 1 1 321.377 -1.373 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001219412740 780092772 /nfs/dbraw/zinc/09/27/72/780092772.db2.gz DCXDZHLXZCHBRE-NEPJUHHUSA-N 1 1 309.370 -1.518 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219413161 780092686 /nfs/dbraw/zinc/09/26/86/780092686.db2.gz KSNDCLRVTHWTSW-UPJWGTAASA-N 1 1 313.398 -1.036 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219408434 780093047 /nfs/dbraw/zinc/09/30/47/780093047.db2.gz ZOJZHTZZGSZXHL-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411500 780093168 /nfs/dbraw/zinc/09/31/68/780093168.db2.gz LLKOKQBNERTGOR-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219409763 780093447 /nfs/dbraw/zinc/09/34/47/780093447.db2.gz PCLGTEKVBGHTHA-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219409763 780093457 /nfs/dbraw/zinc/09/34/57/780093457.db2.gz PCLGTEKVBGHTHA-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219414033 780095380 /nfs/dbraw/zinc/09/53/80/780095380.db2.gz PXFUXVWBBHMZEU-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219413464 780095875 /nfs/dbraw/zinc/09/58/75/780095875.db2.gz RQDRVXAYHXUKGK-NEPJUHHUSA-N 1 1 319.321 -1.241 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001219413464 780095883 /nfs/dbraw/zinc/09/58/83/780095883.db2.gz RQDRVXAYHXUKGK-NEPJUHHUSA-N 1 1 319.321 -1.241 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)CCc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001219432568 780096505 /nfs/dbraw/zinc/09/65/05/780096505.db2.gz CKKODZJOMIZSHN-NEPJUHHUSA-N 1 1 319.369 -1.168 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219441163 780099066 /nfs/dbraw/zinc/09/90/66/780099066.db2.gz PFRYGMUZTWPFTC-AXFHLTTASA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219441163 780099073 /nfs/dbraw/zinc/09/90/73/780099073.db2.gz PFRYGMUZTWPFTC-AXFHLTTASA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219441163 780099079 /nfs/dbraw/zinc/09/90/79/780099079.db2.gz PFRYGMUZTWPFTC-AXFHLTTASA-N 1 1 313.358 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001219451505 780099371 /nfs/dbraw/zinc/09/93/71/780099371.db2.gz COADBCUIIVMYRH-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001219451505 780099375 /nfs/dbraw/zinc/09/93/75/780099375.db2.gz COADBCUIIVMYRH-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219441056 780099701 /nfs/dbraw/zinc/09/97/01/780099701.db2.gz LODTXUGIYGJDHR-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219441056 780099711 /nfs/dbraw/zinc/09/97/11/780099711.db2.gz LODTXUGIYGJDHR-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219441056 780099717 /nfs/dbraw/zinc/09/97/17/780099717.db2.gz LODTXUGIYGJDHR-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219473186 780101597 /nfs/dbraw/zinc/10/15/97/780101597.db2.gz YGJOLHDUYPQTJC-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001219485300 780101816 /nfs/dbraw/zinc/10/18/16/780101816.db2.gz FVLCQERJIJPDEM-BBBLOLIVSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001219485300 780101819 /nfs/dbraw/zinc/10/18/19/780101819.db2.gz FVLCQERJIJPDEM-BBBLOLIVSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001219485298 780101844 /nfs/dbraw/zinc/10/18/44/780101844.db2.gz FVLCQERJIJPDEM-AEJSXWLSSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(OC)no2)[C@@H](O)C1 ZINC001219485298 780101848 /nfs/dbraw/zinc/10/18/48/780101848.db2.gz FVLCQERJIJPDEM-AEJSXWLSSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219477777 780102074 /nfs/dbraw/zinc/10/20/74/780102074.db2.gz AXNKGRRJFGZIQA-BBBLOLIVSA-N 1 1 315.330 -2.848 20 0 DAADMO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219477956 780102280 /nfs/dbraw/zinc/10/22/80/780102280.db2.gz HBYCQXOUGWJSSB-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219477956 780102281 /nfs/dbraw/zinc/10/22/81/780102281.db2.gz HBYCQXOUGWJSSB-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)n1cncn1 ZINC001219472775 780102370 /nfs/dbraw/zinc/10/23/70/780102370.db2.gz PUWJLCMXYDSBPA-TUAOUCFPSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)n1cncn1 ZINC001219472775 780102374 /nfs/dbraw/zinc/10/23/74/780102374.db2.gz PUWJLCMXYDSBPA-TUAOUCFPSA-N 1 1 313.358 -1.991 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@@H](O)C1 ZINC001219488841 780103624 /nfs/dbraw/zinc/10/36/24/780103624.db2.gz YVPIESSRZQTBGH-UTUOFQBUSA-N 1 1 304.387 -1.030 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219495409 780104623 /nfs/dbraw/zinc/10/46/23/780104623.db2.gz DZLYPVGVJGMAGD-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219495568 780105104 /nfs/dbraw/zinc/10/51/04/780105104.db2.gz IXPNDXHOQFVWMM-TUAOUCFPSA-N 1 1 301.387 -1.165 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219495882 780105198 /nfs/dbraw/zinc/10/51/98/780105198.db2.gz SGAJOBAXJXVJET-AXFHLTTASA-N 1 1 303.359 -2.319 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219502868 780106131 /nfs/dbraw/zinc/10/61/31/780106131.db2.gz SSZLGHIVLQHMOA-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1N ZINC001219499938 780106183 /nfs/dbraw/zinc/10/61/83/780106183.db2.gz KREYJYXTBZXKSK-MNOVXSKESA-N 1 1 313.358 -2.214 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c1N ZINC001219499938 780106185 /nfs/dbraw/zinc/10/61/85/780106185.db2.gz KREYJYXTBZXKSK-MNOVXSKESA-N 1 1 313.358 -2.214 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1=CCOCC1 ZINC001219504593 780106354 /nfs/dbraw/zinc/10/63/54/780106354.db2.gz ZLBDUFCWCNSWJL-OLZOCXBDSA-N 1 1 300.355 -1.497 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1=CCOCC1 ZINC001219504593 780106357 /nfs/dbraw/zinc/10/63/57/780106357.db2.gz ZLBDUFCWCNSWJL-OLZOCXBDSA-N 1 1 300.355 -1.497 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219505545 780106542 /nfs/dbraw/zinc/10/65/42/780106542.db2.gz BWXXNLKCYRWOPE-WZRBSPASSA-N 1 1 312.370 -1.315 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219510353 780107402 /nfs/dbraw/zinc/10/74/02/780107402.db2.gz LHRUHABUHPGJNX-MXWKQRLJSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219510353 780107404 /nfs/dbraw/zinc/10/74/04/780107404.db2.gz LHRUHABUHPGJNX-MXWKQRLJSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219510354 780107738 /nfs/dbraw/zinc/10/77/38/780107738.db2.gz LHRUHABUHPGJNX-VWYCJHECSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219510354 780107741 /nfs/dbraw/zinc/10/77/41/780107741.db2.gz LHRUHABUHPGJNX-VWYCJHECSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219509800 780107841 /nfs/dbraw/zinc/10/78/41/780107841.db2.gz DQTZFPJNRIXLIL-NEPJUHHUSA-N 1 1 324.385 -1.808 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219509800 780107849 /nfs/dbraw/zinc/10/78/49/780107849.db2.gz DQTZFPJNRIXLIL-NEPJUHHUSA-N 1 1 324.385 -1.808 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219509786 780107952 /nfs/dbraw/zinc/10/79/52/780107952.db2.gz DFCWVOUGSZJBBU-ZJUUUORDSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219509786 780107959 /nfs/dbraw/zinc/10/79/59/780107959.db2.gz DFCWVOUGSZJBBU-ZJUUUORDSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219510484 780108176 /nfs/dbraw/zinc/10/81/76/780108176.db2.gz QOXBGWHIPHQNDH-MNOVXSKESA-N 1 1 312.395 -1.017 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219510484 780108185 /nfs/dbraw/zinc/10/81/85/780108185.db2.gz QOXBGWHIPHQNDH-MNOVXSKESA-N 1 1 312.395 -1.017 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219508272 780108197 /nfs/dbraw/zinc/10/81/97/780108197.db2.gz UXKFNBURMJZKLS-NEPJUHHUSA-N 1 1 309.370 -1.474 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219508272 780108202 /nfs/dbraw/zinc/10/82/02/780108202.db2.gz UXKFNBURMJZKLS-NEPJUHHUSA-N 1 1 309.370 -1.474 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219517293 780109628 /nfs/dbraw/zinc/10/96/28/780109628.db2.gz TWMNFYAEAVQEJY-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513004 780109637 /nfs/dbraw/zinc/10/96/37/780109637.db2.gz JFVMXKFOHRXSET-UPJWGTAASA-N 1 1 315.370 -2.367 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219526751 780110856 /nfs/dbraw/zinc/11/08/56/780110856.db2.gz APISJLYMOZQSGX-XQQFMLRXSA-N 1 1 311.386 -1.010 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219519289 780111220 /nfs/dbraw/zinc/11/12/20/780111220.db2.gz LXZRQOFDXDMGLH-QEYWKRMJSA-N 1 1 304.347 -2.788 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219519288 780111500 /nfs/dbraw/zinc/11/15/00/780111500.db2.gz LXZRQOFDXDMGLH-JLIMGVALSA-N 1 1 304.347 -2.788 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219523651 780111522 /nfs/dbraw/zinc/11/15/22/780111522.db2.gz LNNVCWQKGGDSCU-KGLIPLIRSA-N 1 1 324.381 -1.157 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219523651 780111525 /nfs/dbraw/zinc/11/15/25/780111525.db2.gz LNNVCWQKGGDSCU-KGLIPLIRSA-N 1 1 324.381 -1.157 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219548849 780115713 /nfs/dbraw/zinc/11/57/13/780115713.db2.gz FYELVYPCXYCCGF-MNOVXSKESA-N 1 1 314.386 -1.666 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219548849 780115720 /nfs/dbraw/zinc/11/57/20/780115720.db2.gz FYELVYPCXYCCGF-MNOVXSKESA-N 1 1 314.386 -1.666 20 0 DAADMO C[NH+](C)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219553737 780115878 /nfs/dbraw/zinc/11/58/78/780115878.db2.gz JDIUWNLGHPTJDV-UHFFFAOYSA-N 1 1 316.362 -4.029 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219557655 780116044 /nfs/dbraw/zinc/11/60/44/780116044.db2.gz FCGGQPPBYVMYOB-AXFHLTTASA-N 1 1 314.342 -1.911 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219560798 780117482 /nfs/dbraw/zinc/11/74/82/780117482.db2.gz OXJHCPROSPCBIP-MXWKQRLJSA-N 1 1 301.343 -1.319 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219563254 780117935 /nfs/dbraw/zinc/11/79/35/780117935.db2.gz KRMUYLLUJKPFMY-NEPJUHHUSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219563254 780117938 /nfs/dbraw/zinc/11/79/38/780117938.db2.gz KRMUYLLUJKPFMY-NEPJUHHUSA-N 1 1 313.358 -1.918 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219571263 780118666 /nfs/dbraw/zinc/11/86/66/780118666.db2.gz LOVHGCNZMBLOOX-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219571539 780118942 /nfs/dbraw/zinc/11/89/42/780118942.db2.gz UZPHPXOVACJJBV-MXWKQRLJSA-N 1 1 318.374 -2.526 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001219588820 780120517 /nfs/dbraw/zinc/12/05/17/780120517.db2.gz LJZNKVZSFHKSPV-TUAOUCFPSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2C)[C@@H](O)C1 ZINC001219588821 780121130 /nfs/dbraw/zinc/12/11/30/780121130.db2.gz LJZNKVZSFHKSPV-UTUOFQBUSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(COC)CC2)[C@@H](O)C1 ZINC001219602952 780121822 /nfs/dbraw/zinc/12/18/22/780121822.db2.gz MKFAYVVSKGPULN-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cnc[nH]1 ZINC001219606119 780124272 /nfs/dbraw/zinc/12/42/72/780124272.db2.gz FNIIPMOUVSCDQP-ONGXEEELSA-N 1 1 322.369 -1.520 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219617272 780124853 /nfs/dbraw/zinc/12/48/53/780124853.db2.gz JJUSDVPYPNTDSJ-GMOODISLSA-N 1 1 300.334 -2.357 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219616785 780125407 /nfs/dbraw/zinc/12/54/07/780125407.db2.gz DBAHZFZHANCXKI-WCFLWFBJSA-N 1 1 300.334 -1.327 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001219616878 780125373 /nfs/dbraw/zinc/12/53/73/780125373.db2.gz JZRRECASQYOBRK-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219616627 780125473 /nfs/dbraw/zinc/12/54/73/780125473.db2.gz DCWGEUDUPIXKEE-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001219617725 780125591 /nfs/dbraw/zinc/12/55/91/780125591.db2.gz YKNIGVJWAJHZCG-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617710 780125605 /nfs/dbraw/zinc/12/56/05/780125605.db2.gz ONXHNCGWVQHSMG-COPLHBTASA-N 1 1 318.393 -1.345 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219615885 780125719 /nfs/dbraw/zinc/12/57/19/780125719.db2.gz HMDQSNZEOSEFDZ-VHRBIJSZSA-N 1 1 311.361 -1.219 20 0 DAADMO [NH3+][C@H]1CCCCN(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)C1=O ZINC001219619889 780126719 /nfs/dbraw/zinc/12/67/19/780126719.db2.gz REAXJOBSJCGHOQ-COPLHBTASA-N 1 1 316.377 -1.495 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001219621762 780127007 /nfs/dbraw/zinc/12/70/07/780127007.db2.gz HBCLDLTZDBQIEA-VXUPGSCNSA-N 1 1 301.362 -1.210 20 0 DAADMO CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621576 780127116 /nfs/dbraw/zinc/12/71/16/780127116.db2.gz DCKAGPUCSWXOIU-SGMGOOAPSA-N 1 1 318.393 -1.201 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619557 780127147 /nfs/dbraw/zinc/12/71/47/780127147.db2.gz JWQGHBDSIQFBPP-OUJBWJOFSA-N 1 1 302.350 -1.885 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)NC(N)=O ZINC001219627289 780127319 /nfs/dbraw/zinc/12/73/19/780127319.db2.gz VBAVLZRZWPBIEZ-UTUOFQBUSA-N 1 1 324.385 -1.509 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621967 780127497 /nfs/dbraw/zinc/12/74/97/780127497.db2.gz LHRZLQZXADNEQJ-OUJBWJOFSA-N 1 1 302.350 -1.967 20 0 DAADMO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219622147 780127541 /nfs/dbraw/zinc/12/75/41/780127541.db2.gz OFFFIUBEUWIROL-SGMGOOAPSA-N 1 1 318.393 -1.201 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638627 780128585 /nfs/dbraw/zinc/12/85/85/780128585.db2.gz YKOAXNIDISMBJH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219638740 780128847 /nfs/dbraw/zinc/12/88/47/780128847.db2.gz YRZGGRSEGOUJMQ-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219638740 780128855 /nfs/dbraw/zinc/12/88/55/780128855.db2.gz YRZGGRSEGOUJMQ-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)CC[N@H+]1C ZINC001219656255 780128874 /nfs/dbraw/zinc/12/88/74/780128874.db2.gz SEVRIWXGGGABOJ-SYQHCUMBSA-N 1 1 315.414 -1.503 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219638263 780128994 /nfs/dbraw/zinc/12/89/94/780128994.db2.gz RUTFXIXBCZMQEZ-ZJUUUORDSA-N 1 1 300.319 -3.157 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219638263 780128998 /nfs/dbraw/zinc/12/89/98/780128998.db2.gz RUTFXIXBCZMQEZ-ZJUUUORDSA-N 1 1 300.319 -3.157 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](O)C1 ZINC001219662775 780130547 /nfs/dbraw/zinc/13/05/47/780130547.db2.gz MNFXKRVKWGVFPK-XFMPKHEZSA-N 1 1 314.382 -1.153 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)[C@@H](O)C1 ZINC001219662775 780130552 /nfs/dbraw/zinc/13/05/52/780130552.db2.gz MNFXKRVKWGVFPK-XFMPKHEZSA-N 1 1 314.382 -1.153 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001219672532 780130862 /nfs/dbraw/zinc/13/08/62/780130862.db2.gz XERDWZWYHWDWKM-AXFHLTTASA-N 1 1 307.416 -1.116 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219682680 780133685 /nfs/dbraw/zinc/13/36/85/780133685.db2.gz LOBJIAAIGFXANM-UPJWGTAASA-N 1 1 323.397 -1.041 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219682680 780133689 /nfs/dbraw/zinc/13/36/89/780133689.db2.gz LOBJIAAIGFXANM-UPJWGTAASA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705921 780135805 /nfs/dbraw/zinc/13/58/05/780135805.db2.gz SMXRAUVPKROPTP-HZMBPMFUSA-N 1 1 320.393 -1.227 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219717202 780138374 /nfs/dbraw/zinc/13/83/74/780138374.db2.gz QOJZLGXONDRTEN-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219717202 780138378 /nfs/dbraw/zinc/13/83/78/780138378.db2.gz QOJZLGXONDRTEN-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714684 780138414 /nfs/dbraw/zinc/13/84/14/780138414.db2.gz TYOFEBBVNMSBAP-IVZWLZJFSA-N 1 1 302.375 -2.306 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219733310 780139220 /nfs/dbraw/zinc/13/92/20/780139220.db2.gz IEFMTJDELPXUCN-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733469 780139570 /nfs/dbraw/zinc/13/95/70/780139570.db2.gz PGHISCHZWLZLNT-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219733629 780139700 /nfs/dbraw/zinc/13/97/00/780139700.db2.gz WXBLFPCHLMUENO-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001219733482 780139762 /nfs/dbraw/zinc/13/97/62/780139762.db2.gz PQGOEZPWTPRDRU-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735141 780139858 /nfs/dbraw/zinc/13/98/58/780139858.db2.gz WYLUBLSBVLJTIT-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219733417 780139931 /nfs/dbraw/zinc/13/99/31/780139931.db2.gz MQXFFRQRLFKJDE-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737238 780140017 /nfs/dbraw/zinc/14/00/17/780140017.db2.gz QZCNEFLANQZWIR-RYUDHWBXSA-N 1 1 312.414 -1.029 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219734775 780140080 /nfs/dbraw/zinc/14/00/80/780140080.db2.gz CGPMRCIZCJKVHO-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219742871 780141078 /nfs/dbraw/zinc/14/10/78/780141078.db2.gz SCVVWLREEJDPJG-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219740736 780141156 /nfs/dbraw/zinc/14/11/56/780141156.db2.gz IAEWBTCDGOAOTN-UTUOFQBUSA-N 1 1 317.386 -1.713 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219740960 780141370 /nfs/dbraw/zinc/14/13/70/780141370.db2.gz SWWKCDDFQRZCLO-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 ZINC001219744671 780141420 /nfs/dbraw/zinc/14/14/20/780141420.db2.gz LSSIIAOHUSQNAM-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO Cn1cncc1C[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746419 780141637 /nfs/dbraw/zinc/14/16/37/780141637.db2.gz IOTBTCMIJUQPHX-NSHDSACASA-N 1 1 318.385 -1.309 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219740817 780141709 /nfs/dbraw/zinc/14/17/09/780141709.db2.gz KWLIGKGLIFZEGJ-MNOVXSKESA-N 1 1 303.359 -2.365 20 0 DAADMO O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1nnc2n1CCCNC2 ZINC001219750013 780142507 /nfs/dbraw/zinc/14/25/07/780142507.db2.gz UKBBHIFXYITCBR-AWEZNQCLSA-N 1 1 308.386 -1.108 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219750032 780142897 /nfs/dbraw/zinc/14/28/97/780142897.db2.gz VCSZYYHUBXHUCB-SNVBAGLBSA-N 1 1 321.385 -2.282 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219750023 780143101 /nfs/dbraw/zinc/14/31/01/780143101.db2.gz URKXUTWEZQIDKR-LBPRGKRZSA-N 1 1 319.369 -2.134 20 0 DAADMO O=C(CNC1CC[NH2+]CC1)NCc1nnc2n1CCCNC2 ZINC001219749408 780143170 /nfs/dbraw/zinc/14/31/70/780143170.db2.gz MODSXQILABQHEW-UHFFFAOYSA-N 1 1 307.402 -1.271 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219754066 780143298 /nfs/dbraw/zinc/14/32/98/780143298.db2.gz PFDAMOLHDMEEKC-BBBLOLIVSA-N 1 1 304.347 -2.916 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219752185 780143348 /nfs/dbraw/zinc/14/33/48/780143348.db2.gz UKYIPMDRTRNDNS-NEPJUHHUSA-N 1 1 314.386 -1.497 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219750203 780143384 /nfs/dbraw/zinc/14/33/84/780143384.db2.gz XGVRGOXWXTWTKX-YGRLFVJLSA-N 1 1 305.386 -1.661 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765792 780144461 /nfs/dbraw/zinc/14/44/61/780144461.db2.gz BTVOVRCWGKOBQM-GMDXDWKASA-N 1 1 324.425 -1.472 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765792 780144464 /nfs/dbraw/zinc/14/44/64/780144464.db2.gz BTVOVRCWGKOBQM-GMDXDWKASA-N 1 1 324.425 -1.472 20 0 DAADMO COC(=O)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCN1 ZINC001219764937 780144598 /nfs/dbraw/zinc/14/45/98/780144598.db2.gz PRGWGMAYIBGUMB-YIYPIFLZSA-N 1 1 324.425 -1.063 20 0 DAADMO COC(=O)[C@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCN1 ZINC001219764937 780144601 /nfs/dbraw/zinc/14/46/01/780144601.db2.gz PRGWGMAYIBGUMB-YIYPIFLZSA-N 1 1 324.425 -1.063 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219755965 780144759 /nfs/dbraw/zinc/14/47/59/780144759.db2.gz VOYYSIIYPBENGK-AXFHLTTASA-N 1 1 302.375 -1.762 20 0 DAADMO COC(=O)[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCN1 ZINC001219764938 780145182 /nfs/dbraw/zinc/14/51/82/780145182.db2.gz PRGWGMAYIBGUMB-ZOBORPQBSA-N 1 1 324.425 -1.063 20 0 DAADMO COC(=O)[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCN1 ZINC001219764938 780145190 /nfs/dbraw/zinc/14/51/90/780145190.db2.gz PRGWGMAYIBGUMB-ZOBORPQBSA-N 1 1 324.425 -1.063 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)CCOCC1 ZINC001219765681 780145323 /nfs/dbraw/zinc/14/53/23/780145323.db2.gz WKABHTPLOAUWRJ-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219774412 780146875 /nfs/dbraw/zinc/14/68/75/780146875.db2.gz MGHGDQYNCXNVRM-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219792505 780147784 /nfs/dbraw/zinc/14/77/84/780147784.db2.gz NNOFIHSNCJAKIT-UHTWSYAYSA-N 1 1 313.354 -1.306 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803092 780148088 /nfs/dbraw/zinc/14/80/88/780148088.db2.gz KURRKJXGYXFWDZ-DCAQKATOSA-N 1 1 314.386 -2.305 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001219800302 780148757 /nfs/dbraw/zinc/14/87/57/780148757.db2.gz KZHYAQLAJWJSQW-WOPDTQHZSA-N 1 1 324.385 -2.540 20 0 DAADMO Cn1cc(N)nc1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807984 780149566 /nfs/dbraw/zinc/14/95/66/780149566.db2.gz SAUZRVUBNXVVGX-UHFFFAOYSA-N 1 1 317.353 -1.018 20 0 DAADMO O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCC(=O)CN1 ZINC001219808112 780149600 /nfs/dbraw/zinc/14/96/00/780149600.db2.gz UIGQQLDTKHAJIQ-GFCCVEGCSA-N 1 1 319.365 -1.326 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219811981 780151287 /nfs/dbraw/zinc/15/12/87/780151287.db2.gz GFMDMOYQDUQYOG-NEPJUHHUSA-N 1 1 323.401 -1.644 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814127 780151875 /nfs/dbraw/zinc/15/18/75/780151875.db2.gz UCOGAIJTRUJWFX-MCIONIFRSA-N 1 1 315.414 -1.361 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814127 780151885 /nfs/dbraw/zinc/15/18/85/780151885.db2.gz UCOGAIJTRUJWFX-MCIONIFRSA-N 1 1 315.414 -1.361 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001219821454 780151907 /nfs/dbraw/zinc/15/19/07/780151907.db2.gz MIJJAQIEMKQWPT-LOWVWBTDSA-N 1 1 324.381 -1.389 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813742 780152187 /nfs/dbraw/zinc/15/21/87/780152187.db2.gz BRLFPWPBZBIBEN-RDBSUJKOSA-N 1 1 324.425 -1.089 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825820 780152231 /nfs/dbraw/zinc/15/22/31/780152231.db2.gz LMXRDVOPFRPOJH-XQQFMLRXSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822519 780152276 /nfs/dbraw/zinc/15/22/76/780152276.db2.gz OHNZKJGPVIKZLC-UHTWSYAYSA-N 1 1 324.381 -1.284 20 0 DAADMO CN1CC[C@@H](N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816043 780152289 /nfs/dbraw/zinc/15/22/89/780152289.db2.gz WHJNCDNHDJKAFO-MCIONIFRSA-N 1 1 324.425 -1.137 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O)C1CCC1 ZINC001219812105 780152522 /nfs/dbraw/zinc/15/25/22/780152522.db2.gz MNIGYLMUHBDGJE-KGLIPLIRSA-N 1 1 324.425 -1.136 20 0 DAADMO NCC(=O)NCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835089 780153958 /nfs/dbraw/zinc/15/39/58/780153958.db2.gz WLMAZDARBZRGAZ-GXFFZTMASA-N 1 1 300.359 -2.427 20 0 DAADMO O=C(Cc1cncs1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219841688 780154590 /nfs/dbraw/zinc/15/45/90/780154590.db2.gz VXZMZQMMVZBGLA-NEPJUHHUSA-N 1 1 315.395 -1.144 20 0 DAADMO O=C(Cc1cncs1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219841688 780154591 /nfs/dbraw/zinc/15/45/91/780154591.db2.gz VXZMZQMMVZBGLA-NEPJUHHUSA-N 1 1 315.395 -1.144 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841205 780155148 /nfs/dbraw/zinc/15/51/48/780155148.db2.gz FQLDKPGRSIJJKM-WCQGTBRESA-N 1 1 315.395 -1.146 20 0 DAADMO O=C(C[C@@H]1COCCN1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838344 780155368 /nfs/dbraw/zinc/15/53/68/780155368.db2.gz PHHKSQSZBGWZGV-GUTXKFCHSA-N 1 1 313.398 -1.124 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219847983 780155881 /nfs/dbraw/zinc/15/58/81/780155881.db2.gz DQFWYVRGDDZUAV-ZJUUUORDSA-N 1 1 314.342 -1.792 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219847983 780155885 /nfs/dbraw/zinc/15/58/85/780155885.db2.gz DQFWYVRGDDZUAV-ZJUUUORDSA-N 1 1 314.342 -1.792 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219845786 780156201 /nfs/dbraw/zinc/15/62/01/780156201.db2.gz SKHNQERGOXZVAF-AEJSXWLSSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219846805 780156470 /nfs/dbraw/zinc/15/64/70/780156470.db2.gz FDWMCIYUFJHRRK-ZJUUUORDSA-N 1 1 310.358 -2.049 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219846805 780156474 /nfs/dbraw/zinc/15/64/74/780156474.db2.gz FDWMCIYUFJHRRK-ZJUUUORDSA-N 1 1 310.358 -2.049 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219845989 780156588 /nfs/dbraw/zinc/15/65/88/780156588.db2.gz YMDWGBBWFXYZME-MNOVXSKESA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219845989 780156592 /nfs/dbraw/zinc/15/65/92/780156592.db2.gz YMDWGBBWFXYZME-MNOVXSKESA-N 1 1 317.386 -1.678 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879628 780158961 /nfs/dbraw/zinc/15/89/61/780158961.db2.gz OMJSQGSOFRNPHT-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCCCC1 ZINC001219894482 780160667 /nfs/dbraw/zinc/16/06/67/780160667.db2.gz HEUCKTNZQARDTP-OLZOCXBDSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCCCC1 ZINC001219894482 780160673 /nfs/dbraw/zinc/16/06/73/780160673.db2.gz HEUCKTNZQARDTP-OLZOCXBDSA-N 1 1 313.398 -1.021 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001219902720 780160739 /nfs/dbraw/zinc/16/07/39/780160739.db2.gz IDTDPDUNAYLFHD-UPJWGTAASA-N 1 1 317.430 -1.115 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001219902720 780160743 /nfs/dbraw/zinc/16/07/43/780160743.db2.gz IDTDPDUNAYLFHD-UPJWGTAASA-N 1 1 317.430 -1.115 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219894072 780160811 /nfs/dbraw/zinc/16/08/11/780160811.db2.gz UDYXAXUXHKBBTO-MNOVXSKESA-N 1 1 316.358 -2.954 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001219917986 780161934 /nfs/dbraw/zinc/16/19/34/780161934.db2.gz ARKFKSDZOZYYTM-ZDUSSCGKSA-N 1 1 308.382 -1.629 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)CC1 ZINC001219904979 780162193 /nfs/dbraw/zinc/16/21/93/780162193.db2.gz QIWCRIPCEGTYHM-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923885 780162479 /nfs/dbraw/zinc/16/24/79/780162479.db2.gz GFTPJMWXNKUOQM-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923885 780162484 /nfs/dbraw/zinc/16/24/84/780162484.db2.gz GFTPJMWXNKUOQM-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001219913440 780162580 /nfs/dbraw/zinc/16/25/80/780162580.db2.gz OHYIXDFFUFYQLD-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001219929973 780164500 /nfs/dbraw/zinc/16/45/00/780164500.db2.gz PVOICWUQZSIALP-WQAKAFBOSA-N 1 1 324.381 -1.319 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926581 780164851 /nfs/dbraw/zinc/16/48/51/780164851.db2.gz WVMATIUVMCWDQC-AEJSXWLSSA-N 1 1 323.340 -1.310 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219941884 780165493 /nfs/dbraw/zinc/16/54/93/780165493.db2.gz VUIBBBWUFJURAC-BIMULSAOSA-N 1 1 324.381 -1.035 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001219951664 780166483 /nfs/dbraw/zinc/16/64/83/780166483.db2.gz VYQAUXXDEPCKMR-YPMHNXCESA-N 1 1 324.381 -1.065 20 0 DAADMO CNS(=O)(=O)CCNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001219961493 780168017 /nfs/dbraw/zinc/16/80/17/780168017.db2.gz MZPNTLHBQXTMBB-NSHDSACASA-N 1 1 300.384 -1.076 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219962856 780168050 /nfs/dbraw/zinc/16/80/50/780168050.db2.gz CUEQWCJXCFMPCV-AXFHLTTASA-N 1 1 302.375 -1.633 20 0 DAADMO CCOC(=O)C1(C(=O)NC2(C(=O)OC)CC[NH2+]CC2)CNC1 ZINC001220001206 780169080 /nfs/dbraw/zinc/16/90/80/780169080.db2.gz LLNCXKQYSQPRBX-UHFFFAOYSA-N 1 1 313.354 -1.450 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011613 780170766 /nfs/dbraw/zinc/17/07/66/780170766.db2.gz XMYNYLYMCMQTIA-NEPJUHHUSA-N 1 1 309.370 -1.511 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001220024402 780171542 /nfs/dbraw/zinc/17/15/42/780171542.db2.gz JTLIDMGWNFWRIL-WCQGTBRESA-N 1 1 301.318 -1.064 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040774 780172567 /nfs/dbraw/zinc/17/25/67/780172567.db2.gz GJPCWDGSGPKGOX-YPMHNXCESA-N 1 1 324.381 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001220073696 780175397 /nfs/dbraw/zinc/17/53/97/780175397.db2.gz IQFJXQVKPISIHO-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065692 780175465 /nfs/dbraw/zinc/17/54/65/780175465.db2.gz YPQAAQMPCYDDSN-BBBLOLIVSA-N 1 1 312.313 -1.563 20 0 DAADMO COC[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCOC1 ZINC001220082534 780177361 /nfs/dbraw/zinc/17/73/61/780177361.db2.gz VFQNPQUSIZKCFS-DYEKYZERSA-N 1 1 302.371 -1.417 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220076315 780177413 /nfs/dbraw/zinc/17/74/13/780177413.db2.gz WFNUTQBWNUQZKL-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@H]([NH3+])c1ncc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)s1 ZINC001220118271 780179614 /nfs/dbraw/zinc/17/96/14/780179614.db2.gz UYLBHQHNRNKIGM-FLTSUQCPSA-N 1 1 301.368 -1.005 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132195 780181556 /nfs/dbraw/zinc/18/15/56/780181556.db2.gz FLWABUMQDXIHSH-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131946 780181673 /nfs/dbraw/zinc/18/16/73/780181673.db2.gz BFPXKMDGZFTKFU-TUAOUCFPSA-N 1 1 315.370 -2.053 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131946 780181676 /nfs/dbraw/zinc/18/16/76/780181676.db2.gz BFPXKMDGZFTKFU-TUAOUCFPSA-N 1 1 315.370 -2.053 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220130346 780181863 /nfs/dbraw/zinc/18/18/63/780181863.db2.gz VPGBDPDTNSHHPF-KOLCDFICSA-N 1 1 314.342 -2.091 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220130346 780181864 /nfs/dbraw/zinc/18/18/64/780181864.db2.gz VPGBDPDTNSHHPF-KOLCDFICSA-N 1 1 314.342 -2.091 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220136026 780182567 /nfs/dbraw/zinc/18/25/67/780182567.db2.gz PHXAISPLHTWSJO-RTXFEEFZSA-N 1 1 323.397 -1.365 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220136466 780183313 /nfs/dbraw/zinc/18/33/13/780183313.db2.gz XNRGUMXXJOUVGX-RTXFEEFZSA-N 1 1 323.397 -1.365 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220139794 780185150 /nfs/dbraw/zinc/18/51/50/780185150.db2.gz UYUMUNVJKXHSGU-VWYCJHECSA-N 1 1 300.359 -1.792 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151900 780185883 /nfs/dbraw/zinc/18/58/83/780185883.db2.gz LTJZAIHWAFUZSU-GFCCVEGCSA-N 1 1 300.403 -2.014 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220156443 780186019 /nfs/dbraw/zinc/18/60/19/780186019.db2.gz VWAMYEXBDKODAC-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220156443 780186026 /nfs/dbraw/zinc/18/60/26/780186026.db2.gz VWAMYEXBDKODAC-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO CS(=O)(=O)N1CC(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220145511 780186517 /nfs/dbraw/zinc/18/65/17/780186517.db2.gz FQJSECQSUCXRIP-LLVKDONJSA-N 1 1 319.431 -2.503 20 0 DAADMO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1)C1CC1 ZINC001220159301 780186662 /nfs/dbraw/zinc/18/66/62/780186662.db2.gz HSLNMFSJRVYBNB-GRYCIOLGSA-N 1 1 324.385 -1.200 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC1(C[NH3+])COC1 ZINC001220156793 780186756 /nfs/dbraw/zinc/18/67/56/780186756.db2.gz KVKSNVJFJBQJBZ-VIFPVBQESA-N 1 1 302.375 -1.911 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001220175131 780187757 /nfs/dbraw/zinc/18/77/57/780187757.db2.gz UXLSYVITFDVUKD-BJJPWKGXSA-N 1 1 314.382 -1.297 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001220175131 780187763 /nfs/dbraw/zinc/18/77/63/780187763.db2.gz UXLSYVITFDVUKD-BJJPWKGXSA-N 1 1 314.382 -1.297 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220178229 780189815 /nfs/dbraw/zinc/18/98/15/780189815.db2.gz CRUHBBDQRMSNBS-XKSSXDPKSA-N 1 1 317.367 -1.369 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@]1(F)CCOC1 ZINC001220213685 780190747 /nfs/dbraw/zinc/19/07/47/780190747.db2.gz XFILPOYSDACWAQ-NTZNESFSSA-N 1 1 306.334 -1.715 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@]1(F)CCOC1 ZINC001220213685 780190751 /nfs/dbraw/zinc/19/07/51/780190751.db2.gz XFILPOYSDACWAQ-NTZNESFSSA-N 1 1 306.334 -1.715 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](O)C1 ZINC001220213417 780191196 /nfs/dbraw/zinc/19/11/96/780191196.db2.gz OZVJLPHECDGVSW-MBNYWOFBSA-N 1 1 320.361 -1.061 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](O)C1 ZINC001220213417 780191201 /nfs/dbraw/zinc/19/12/01/780191201.db2.gz OZVJLPHECDGVSW-MBNYWOFBSA-N 1 1 320.361 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001220225215 780191262 /nfs/dbraw/zinc/19/12/62/780191262.db2.gz HWOMHAZAYLUSLT-OLZOCXBDSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001220225215 780191267 /nfs/dbraw/zinc/19/12/67/780191267.db2.gz HWOMHAZAYLUSLT-OLZOCXBDSA-N 1 1 322.365 -1.029 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001220214659 780191382 /nfs/dbraw/zinc/19/13/82/780191382.db2.gz JMMRIMPHYSFMED-WZRBSPASSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220236686 780192230 /nfs/dbraw/zinc/19/22/30/780192230.db2.gz DSRKTHLBNOAQSW-AXFHLTTASA-N 1 1 302.350 -1.031 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236906 780192617 /nfs/dbraw/zinc/19/26/17/780192617.db2.gz JSRXBJLYGVFZEQ-UTUOFQBUSA-N 1 1 314.386 -1.356 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236963 780192632 /nfs/dbraw/zinc/19/26/32/780192632.db2.gz LWZVTWSTNFDFCX-TUAOUCFPSA-N 1 1 314.386 -1.354 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236874 780192714 /nfs/dbraw/zinc/19/27/14/780192714.db2.gz IIHCELVHGYKWDX-MXWKQRLJSA-N 1 1 300.359 -1.744 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236931 780192754 /nfs/dbraw/zinc/19/27/54/780192754.db2.gz KPCGVTYECGYTNH-UTUOFQBUSA-N 1 1 314.386 -1.354 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236964 780192861 /nfs/dbraw/zinc/19/28/61/780192861.db2.gz LWZVTWSTNFDFCX-UTUOFQBUSA-N 1 1 314.386 -1.354 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227658 780193008 /nfs/dbraw/zinc/19/30/08/780193008.db2.gz ZSDALIBGYNTBAV-UHTWSYAYSA-N 1 1 312.370 -1.005 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242120 780193992 /nfs/dbraw/zinc/19/39/92/780193992.db2.gz LEQGIWWFJGYGPX-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237492 780194137 /nfs/dbraw/zinc/19/41/37/780194137.db2.gz YTOBJUXQVIBBLP-UTUOFQBUSA-N 1 1 314.386 -1.498 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237492 780194141 /nfs/dbraw/zinc/19/41/41/780194141.db2.gz YTOBJUXQVIBBLP-UTUOFQBUSA-N 1 1 314.386 -1.498 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220242381 780194251 /nfs/dbraw/zinc/19/42/51/780194251.db2.gz YDHJXVWZNBPLOO-MNOVXSKESA-N 1 1 305.400 -1.374 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220244070 780195232 /nfs/dbraw/zinc/19/52/32/780195232.db2.gz XVTSBZQZHTWGPG-MXWKQRLJSA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220243621 780195410 /nfs/dbraw/zinc/19/54/10/780195410.db2.gz PZGBVECLQWQZHN-AXFHLTTASA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001220243621 780195414 /nfs/dbraw/zinc/19/54/14/780195414.db2.gz PZGBVECLQWQZHN-AXFHLTTASA-N 1 1 301.343 -2.171 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220244161 780195687 /nfs/dbraw/zinc/19/56/87/780195687.db2.gz ZYYUPMDYFSUGFT-BBBLOLIVSA-N 1 1 305.331 -3.343 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220244161 780195692 /nfs/dbraw/zinc/19/56/92/780195692.db2.gz ZYYUPMDYFSUGFT-BBBLOLIVSA-N 1 1 305.331 -3.343 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220246202 780195857 /nfs/dbraw/zinc/19/58/57/780195857.db2.gz PFRSHLQXYFZAKN-TUAOUCFPSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220244091 780195940 /nfs/dbraw/zinc/19/59/40/780195940.db2.gz YLJGSVDDUWTCSI-UTUOFQBUSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220244091 780195945 /nfs/dbraw/zinc/19/59/45/780195945.db2.gz YLJGSVDDUWTCSI-UTUOFQBUSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220256040 780197266 /nfs/dbraw/zinc/19/72/66/780197266.db2.gz BWVIQNHDCPUAHM-BDAKNGLRSA-N 1 1 321.324 -1.305 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)CC1 ZINC001220256040 780197270 /nfs/dbraw/zinc/19/72/70/780197270.db2.gz BWVIQNHDCPUAHM-BDAKNGLRSA-N 1 1 321.324 -1.305 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220257946 780197464 /nfs/dbraw/zinc/19/74/64/780197464.db2.gz WTZXISHINZFLSJ-ZJUUUORDSA-N 1 1 308.342 -2.295 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220257946 780197468 /nfs/dbraw/zinc/19/74/68/780197468.db2.gz WTZXISHINZFLSJ-ZJUUUORDSA-N 1 1 308.342 -2.295 20 0 DAADMO COCCn1cncc1CNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220274505 780198596 /nfs/dbraw/zinc/19/85/96/780198596.db2.gz FRZQFASSTANXAI-AWEZNQCLSA-N 1 1 324.429 -1.104 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269139 780198615 /nfs/dbraw/zinc/19/86/15/780198615.db2.gz QHYVLFYDMLJUNH-MJBXVCDLSA-N 1 1 315.414 -1.503 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282822 780199854 /nfs/dbraw/zinc/19/98/54/780199854.db2.gz NZBZAQCOUPVJRS-DCAQKATOSA-N 1 1 311.386 -2.081 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297285 780200255 /nfs/dbraw/zinc/20/02/55/780200255.db2.gz SXODHOSFOBTYGD-RFQIPJPRSA-N 1 1 317.430 -1.259 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C(C)C ZINC001220285437 780200330 /nfs/dbraw/zinc/20/03/30/780200330.db2.gz ZHIPWPNLHBJLFA-AGIUHOORSA-N 1 1 304.387 -1.172 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C(C)C ZINC001220285437 780200332 /nfs/dbraw/zinc/20/03/32/780200332.db2.gz ZHIPWPNLHBJLFA-AGIUHOORSA-N 1 1 304.387 -1.172 20 0 DAADMO CCC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220300226 780200536 /nfs/dbraw/zinc/20/05/36/780200536.db2.gz AEFLILJVEDMDKO-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO CCC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220300226 780200543 /nfs/dbraw/zinc/20/05/43/780200543.db2.gz AEFLILJVEDMDKO-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](O)C1 ZINC001220318312 780202715 /nfs/dbraw/zinc/20/27/15/780202715.db2.gz NHUKJVMMRDZYAO-AGIUHOORSA-N 1 1 320.386 -1.528 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](O)C1 ZINC001220318312 780202721 /nfs/dbraw/zinc/20/27/21/780202721.db2.gz NHUKJVMMRDZYAO-AGIUHOORSA-N 1 1 320.386 -1.528 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319600 780202789 /nfs/dbraw/zinc/20/27/89/780202789.db2.gz HYJJUFVFYRZPDE-AYGWYOGXSA-N 1 1 314.386 -2.162 20 0 DAADMO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220329157 780203082 /nfs/dbraw/zinc/20/30/82/780203082.db2.gz HXVTWQUPQHXJIL-IUCAKERBSA-N 1 1 303.359 -1.212 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220318103 780203396 /nfs/dbraw/zinc/20/33/96/780203396.db2.gz GXKKNSUDRNFXIF-GRYCIOLGSA-N 1 1 306.359 -2.182 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220318103 780203405 /nfs/dbraw/zinc/20/34/05/780203405.db2.gz GXKKNSUDRNFXIF-GRYCIOLGSA-N 1 1 306.359 -2.182 20 0 DAADMO COc1ccc(CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)nn1 ZINC001220343176 780205373 /nfs/dbraw/zinc/20/53/73/780205373.db2.gz FXAUZVHGZRTHOJ-LBPRGKRZSA-N 1 1 308.386 -1.148 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220373951 780205824 /nfs/dbraw/zinc/20/58/24/780205824.db2.gz JOUYAUVBXIRHEW-RTXFEEFZSA-N 1 1 311.386 -1.056 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367280 780205866 /nfs/dbraw/zinc/20/58/66/780205866.db2.gz RBXPGOKFOQRFLU-TUAOUCFPSA-N 1 1 314.430 -1.001 20 0 DAADMO COC(=O)c1n[nH]cc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220373377 780206223 /nfs/dbraw/zinc/20/62/23/780206223.db2.gz LGWGGXCJYPMRQB-SECBINFHSA-N 1 1 310.358 -1.115 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367281 780206634 /nfs/dbraw/zinc/20/66/34/780206634.db2.gz RBXPGOKFOQRFLU-UTUOFQBUSA-N 1 1 314.430 -1.001 20 0 DAADMO [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCC[P@](=O)([O-])O ZINC001220375231 780206752 /nfs/dbraw/zinc/20/67/52/780206752.db2.gz JSDFWJAISZWIJP-NSHDSACASA-N 1 1 322.346 -1.189 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220362454 780206911 /nfs/dbraw/zinc/20/69/11/780206911.db2.gz XPECMSMIVJTXBU-KXNHARMFSA-N 1 1 315.370 -2.068 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220362454 780206915 /nfs/dbraw/zinc/20/69/15/780206915.db2.gz XPECMSMIVJTXBU-KXNHARMFSA-N 1 1 315.370 -2.068 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220389478 780207911 /nfs/dbraw/zinc/20/79/11/780207911.db2.gz MAOKHSNQPNXRCE-TUAOUCFPSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220389478 780207915 /nfs/dbraw/zinc/20/79/15/780207915.db2.gz MAOKHSNQPNXRCE-TUAOUCFPSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220389478 780207919 /nfs/dbraw/zinc/20/79/19/780207919.db2.gz MAOKHSNQPNXRCE-TUAOUCFPSA-N 1 1 313.358 -2.094 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001220377866 780208114 /nfs/dbraw/zinc/20/81/14/780208114.db2.gz RDGSAXKRDXQRSG-RNJOBUHISA-N 1 1 303.403 -1.505 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220389479 780208455 /nfs/dbraw/zinc/20/84/55/780208455.db2.gz MAOKHSNQPNXRCE-UTUOFQBUSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220389479 780208464 /nfs/dbraw/zinc/20/84/64/780208464.db2.gz MAOKHSNQPNXRCE-UTUOFQBUSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220389479 780208474 /nfs/dbraw/zinc/20/84/74/780208474.db2.gz MAOKHSNQPNXRCE-UTUOFQBUSA-N 1 1 313.358 -2.094 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001220377865 780209171 /nfs/dbraw/zinc/20/91/71/780209171.db2.gz RDGSAXKRDXQRSG-NDBYEHHHSA-N 1 1 303.403 -1.505 20 0 DAADMO [NH3+]CCCNCC(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390160 780209287 /nfs/dbraw/zinc/20/92/87/780209287.db2.gz QTZQOWUJXHPEIH-UHFFFAOYSA-N 1 1 308.386 -1.132 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220391154 780209973 /nfs/dbraw/zinc/20/99/73/780209973.db2.gz CFHDHPBJPDXSPK-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427976 780211881 /nfs/dbraw/zinc/21/18/81/780211881.db2.gz QSMILDLDMMECAA-MXWKQRLJSA-N 1 1 307.416 -1.259 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220428001 780211910 /nfs/dbraw/zinc/21/19/10/780211910.db2.gz RQEDHTSFSOVQOB-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001220424285 780212072 /nfs/dbraw/zinc/21/20/72/780212072.db2.gz YIPJYANTMLRJPW-OLZOCXBDSA-N 1 1 312.370 -1.224 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001220424285 780212079 /nfs/dbraw/zinc/21/20/79/780212079.db2.gz YIPJYANTMLRJPW-OLZOCXBDSA-N 1 1 312.370 -1.224 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427975 780212254 /nfs/dbraw/zinc/21/22/54/780212254.db2.gz QSMILDLDMMECAA-AXFHLTTASA-N 1 1 307.416 -1.259 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220439187 780213608 /nfs/dbraw/zinc/21/36/08/780213608.db2.gz MBDBWACEUOOVSB-MNOVXSKESA-N 1 1 320.415 -2.046 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1COCCN1 ZINC001220431901 780213841 /nfs/dbraw/zinc/21/38/41/780213841.db2.gz SPFTUBYNDMNUER-YIZRAAEISA-N 1 1 301.347 -3.202 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220439425 780214466 /nfs/dbraw/zinc/21/44/66/780214466.db2.gz VBFZUVBBQPOINK-BDAKNGLRSA-N 1 1 310.376 -3.464 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@@H]1COCCN1)C(N)=O ZINC001220431222 780214585 /nfs/dbraw/zinc/21/45/85/780214585.db2.gz CULTXBTYAGBWHD-IVZWLZJFSA-N 1 1 315.374 -2.812 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220428836 780214616 /nfs/dbraw/zinc/21/46/16/780214616.db2.gz FYIMKKAKMUTBBT-AVGNSLFASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220428695 780214667 /nfs/dbraw/zinc/21/46/67/780214667.db2.gz CMBCFOSVXIJZCG-RYUDHWBXSA-N 1 1 320.397 -1.366 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 ZINC001220457155 780216438 /nfs/dbraw/zinc/21/64/38/780216438.db2.gz BKUJEGMFOJNIQP-OLZOCXBDSA-N 1 1 302.371 -1.010 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1O ZINC001220450235 780216655 /nfs/dbraw/zinc/21/66/55/780216655.db2.gz JVEFWNBLGNVTGI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1O ZINC001220450235 780216659 /nfs/dbraw/zinc/21/66/59/780216659.db2.gz JVEFWNBLGNVTGI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H](O)C1 ZINC001220494790 780217780 /nfs/dbraw/zinc/21/77/80/780217780.db2.gz IYMJIDGQXPLRBT-AXFHLTTASA-N 1 1 316.358 -2.826 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001220495304 780218015 /nfs/dbraw/zinc/21/80/15/780218015.db2.gz UBSVQTMVYQEWPP-UTUOFQBUSA-N 1 1 315.395 -1.146 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O)C(N)=O ZINC001220495093 780218346 /nfs/dbraw/zinc/21/83/46/780218346.db2.gz PXKRMDKTAGIVTL-TUAOUCFPSA-N 1 1 314.386 -1.816 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508702 780219146 /nfs/dbraw/zinc/21/91/46/780219146.db2.gz SUMDYWLUSGDXQW-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220509607 780219521 /nfs/dbraw/zinc/21/95/21/780219521.db2.gz HELQYIMZCMQRGH-ZJUUUORDSA-N 1 1 323.415 -2.142 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220502957 780219920 /nfs/dbraw/zinc/21/99/20/780219920.db2.gz WQANOSVWFIRWOX-OLZOCXBDSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220502957 780219925 /nfs/dbraw/zinc/21/99/25/780219925.db2.gz WQANOSVWFIRWOX-OLZOCXBDSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220508622 780220443 /nfs/dbraw/zinc/22/04/43/780220443.db2.gz PCYLGKVTIMYZCK-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220508622 780220453 /nfs/dbraw/zinc/22/04/53/780220453.db2.gz PCYLGKVTIMYZCK-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508642 780220475 /nfs/dbraw/zinc/22/04/75/780220475.db2.gz PVCIHVOMVBTFQB-UTUOFQBUSA-N 1 1 301.387 -1.213 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NCCOCCOCC[NH3+] ZINC001220519593 780223441 /nfs/dbraw/zinc/22/34/41/780223441.db2.gz SURYOVHINKQFBE-LBPRGKRZSA-N 1 1 318.418 -1.416 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553236 780225931 /nfs/dbraw/zinc/22/59/31/780225931.db2.gz CYXDWGAUEGBIGB-UPJWGTAASA-N 1 1 301.387 -1.749 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220547943 780225956 /nfs/dbraw/zinc/22/59/56/780225956.db2.gz OQBOQIZZBHZLAV-NEPJUHHUSA-N 1 1 309.370 -1.382 20 0 DAADMO CC(C)CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220559903 780226281 /nfs/dbraw/zinc/22/62/81/780226281.db2.gz HKDZPEZBXKBWSD-NEPJUHHUSA-N 1 1 301.387 -1.308 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553239 780226665 /nfs/dbraw/zinc/22/66/65/780226665.db2.gz CYXDWGAUEGBIGB-XQQFMLRXSA-N 1 1 301.387 -1.749 20 0 DAADMO O=C(CNC(=O)C1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220572675 780228570 /nfs/dbraw/zinc/22/85/70/780228570.db2.gz FSDSPBLZNFHJKH-NEPJUHHUSA-N 1 1 315.370 -2.317 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c(C)n1 ZINC001220568349 780229215 /nfs/dbraw/zinc/22/92/15/780229215.db2.gz INMXYBUEZWPHDV-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c(C)n1 ZINC001220568349 780229225 /nfs/dbraw/zinc/22/92/25/780229225.db2.gz INMXYBUEZWPHDV-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)CN ZINC001220583229 780231083 /nfs/dbraw/zinc/23/10/83/780231083.db2.gz FULSMDCHLFNCQG-JTQLQIEISA-N 1 1 300.359 -1.714 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001220593972 780231724 /nfs/dbraw/zinc/23/17/24/780231724.db2.gz MXFKNEWLVUHZNE-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001220593972 780231735 /nfs/dbraw/zinc/23/17/35/780231735.db2.gz MXFKNEWLVUHZNE-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606177 780233658 /nfs/dbraw/zinc/23/36/58/780233658.db2.gz IWDVNSNCDBQPPQ-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220606069 780233914 /nfs/dbraw/zinc/23/39/14/780233914.db2.gz DPCCLSWHOARLHA-UPJWGTAASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220606047 780234527 /nfs/dbraw/zinc/23/45/27/780234527.db2.gz CRIBYBQVHHBKNL-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220606317 780235677 /nfs/dbraw/zinc/23/56/77/780235677.db2.gz OOJIDRCEBLEOMP-MNOVXSKESA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220606442 780235973 /nfs/dbraw/zinc/23/59/73/780235973.db2.gz SQMYODIJZFCLDL-XQQFMLRXSA-N 1 1 324.385 -1.206 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220644078 780236894 /nfs/dbraw/zinc/23/68/94/780236894.db2.gz GGLYXJYJRCEPCE-NEPJUHHUSA-N 1 1 310.354 -1.559 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653753 780237099 /nfs/dbraw/zinc/23/70/99/780237099.db2.gz TWMYUKASNRCQPC-TUAOUCFPSA-N 1 1 310.354 -1.825 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220656825 780238710 /nfs/dbraw/zinc/23/87/10/780238710.db2.gz RRRNYDRUZIIUSO-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001220683139 780238833 /nfs/dbraw/zinc/23/88/33/780238833.db2.gz LLTBMOXPIYSPCD-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220656485 780239202 /nfs/dbraw/zinc/23/92/02/780239202.db2.gz DKOBACLHLGKLHF-NEPJUHHUSA-N 1 1 314.342 -1.909 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220656485 780239205 /nfs/dbraw/zinc/23/92/05/780239205.db2.gz DKOBACLHLGKLHF-NEPJUHHUSA-N 1 1 314.342 -1.909 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001220683713 780239361 /nfs/dbraw/zinc/23/93/61/780239361.db2.gz YJZGDDKMMXXEBR-NEPJUHHUSA-N 1 1 310.402 -1.182 20 0 DAADMO O=C(CCc1cnccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220691911 780241361 /nfs/dbraw/zinc/24/13/61/780241361.db2.gz FDTANTPTZLCMAE-KGLIPLIRSA-N 1 1 324.381 -1.421 20 0 DAADMO C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220724125 780242867 /nfs/dbraw/zinc/24/28/67/780242867.db2.gz DZLHPXLXCUIQAR-OCCSQVGLSA-N 1 1 313.446 -1.426 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220724577 780243757 /nfs/dbraw/zinc/24/37/57/780243757.db2.gz UCBRQFQNUCXXPW-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220724577 780243760 /nfs/dbraw/zinc/24/37/60/780243760.db2.gz UCBRQFQNUCXXPW-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001220744448 780243932 /nfs/dbraw/zinc/24/39/32/780243932.db2.gz JOLYJLLTTZPKEZ-VNHYZAJKSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768401 780244940 /nfs/dbraw/zinc/24/49/40/780244940.db2.gz KAIYTQVZCFMUNN-UPJWGTAASA-N 1 1 319.402 -2.267 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220757775 780245180 /nfs/dbraw/zinc/24/51/80/780245180.db2.gz WXPMHZSCKRIWDE-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO CO[C@H](C)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768355 780245901 /nfs/dbraw/zinc/24/59/01/780245901.db2.gz IJCNBYMZHHNHPN-UPJWGTAASA-N 1 1 303.403 -1.239 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220791926 780247192 /nfs/dbraw/zinc/24/71/92/780247192.db2.gz QFSPNIWNXJWGNG-TUAOUCFPSA-N 1 1 301.387 -1.165 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220769239 780247289 /nfs/dbraw/zinc/24/72/89/780247289.db2.gz LPVLJHDMJOJAIS-RYUDHWBXSA-N 1 1 320.353 -1.087 20 0 DAADMO C[C@H](O)CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768689 780247557 /nfs/dbraw/zinc/24/75/57/780247557.db2.gz YPGUJMBWXFRHAC-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220769237 780247825 /nfs/dbraw/zinc/24/78/25/780247825.db2.gz LPVLJHDMJOJAIS-NEPJUHHUSA-N 1 1 320.353 -1.087 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001220815765 780248488 /nfs/dbraw/zinc/24/84/88/780248488.db2.gz YPASABPNXQKGJR-OLZOCXBDSA-N 1 1 324.381 -1.250 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806412 780248642 /nfs/dbraw/zinc/24/86/42/780248642.db2.gz BQGYCJMPYHSOGN-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[N@@H+](CCO)CC2)c1=O ZINC000316075036 780248735 /nfs/dbraw/zinc/24/87/35/780248735.db2.gz HZOSDPDXSQPIPN-UHFFFAOYSA-N 1 1 310.354 -1.926 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220798666 780248762 /nfs/dbraw/zinc/24/87/62/780248762.db2.gz DVAHFYHRADTZCQ-TUAOUCFPSA-N 1 1 315.370 -1.911 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220798666 780248765 /nfs/dbraw/zinc/24/87/65/780248765.db2.gz DVAHFYHRADTZCQ-TUAOUCFPSA-N 1 1 315.370 -1.911 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799303 780248916 /nfs/dbraw/zinc/24/89/16/780248916.db2.gz VPWLKZKKJXNRLL-XQQFMLRXSA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799303 780248920 /nfs/dbraw/zinc/24/89/20/780248920.db2.gz VPWLKZKKJXNRLL-XQQFMLRXSA-N 1 1 311.382 -1.147 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220816980 780248970 /nfs/dbraw/zinc/24/89/70/780248970.db2.gz JTIHDTUFUCRBDN-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001220816925 780249028 /nfs/dbraw/zinc/24/90/28/780249028.db2.gz HPODXPFWOAHZKL-UTUOFQBUSA-N 1 1 300.403 -1.247 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@@H]1O ZINC001220815178 780249075 /nfs/dbraw/zinc/24/90/75/780249075.db2.gz DACZTWFSSROROR-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220798635 780249289 /nfs/dbraw/zinc/24/92/89/780249289.db2.gz CTVSFNOCTYIOPV-YTWAJWBKSA-N 1 1 301.343 -2.566 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001220816803 780249385 /nfs/dbraw/zinc/24/93/85/780249385.db2.gz BBKQXKFPXZVDMA-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001220824263 780250198 /nfs/dbraw/zinc/25/01/98/780250198.db2.gz RVRLLMLMBHBYNA-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220832548 780250914 /nfs/dbraw/zinc/25/09/14/780250914.db2.gz JABPLDOPMOYQTH-KGLIPLIRSA-N 1 1 321.377 -1.040 20 0 DAADMO CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220829526 780250983 /nfs/dbraw/zinc/25/09/83/780250983.db2.gz WCWPGWFVLWHETJ-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220829526 780250993 /nfs/dbraw/zinc/25/09/93/780250993.db2.gz WCWPGWFVLWHETJ-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220829526 780250998 /nfs/dbraw/zinc/25/09/98/780250998.db2.gz WCWPGWFVLWHETJ-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220829526 780251006 /nfs/dbraw/zinc/25/10/06/780251006.db2.gz WCWPGWFVLWHETJ-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220828880 780251271 /nfs/dbraw/zinc/25/12/71/780251271.db2.gz GSMCYFFYNYIUBO-ZJUUUORDSA-N 1 1 312.374 -1.487 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1O ZINC001220817202 780251455 /nfs/dbraw/zinc/25/14/55/780251455.db2.gz PGGZHEDWTKSTDK-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCNC(C)=O)CNC1 ZINC001220851455 780252035 /nfs/dbraw/zinc/25/20/35/780252035.db2.gz WKUJVYFPEONGPG-VIFPVBQESA-N 1 1 318.399 -1.838 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CNC1 ZINC001220851537 780252411 /nfs/dbraw/zinc/25/24/11/780252411.db2.gz ZQAGCLHBRZABMJ-JTQLQIEISA-N 1 1 314.386 -1.503 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CNC1 ZINC001220851480 780253534 /nfs/dbraw/zinc/25/35/34/780253534.db2.gz XOBSNHNJGSHOGO-JTQLQIEISA-N 1 1 324.381 -1.877 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220869483 780254552 /nfs/dbraw/zinc/25/45/52/780254552.db2.gz HCRJMUBHUBSGOQ-OLZOCXBDSA-N 1 1 301.387 -1.211 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220875542 780254962 /nfs/dbraw/zinc/25/49/62/780254962.db2.gz OTBDIZVLJBROAN-JLLWLGSASA-N 1 1 312.370 -1.246 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220882329 780255992 /nfs/dbraw/zinc/25/59/92/780255992.db2.gz RSAOFHRCZDSIHY-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220882329 780255994 /nfs/dbraw/zinc/25/59/94/780255994.db2.gz RSAOFHRCZDSIHY-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO Cc1cccc(C(=O)NCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001220897460 780256750 /nfs/dbraw/zinc/25/67/50/780256750.db2.gz QSJGNZLGXXAYLK-KGLIPLIRSA-N 1 1 321.377 -1.122 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC001220890396 780256946 /nfs/dbraw/zinc/25/69/46/780256946.db2.gz YZWCTHNWAIYHGG-NEPJUHHUSA-N 1 1 311.338 -1.429 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001220926565 780257838 /nfs/dbraw/zinc/25/78/38/780257838.db2.gz RLIQUQHFIHDAPD-MNOVXSKESA-N 1 1 304.416 -1.537 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913465 780258873 /nfs/dbraw/zinc/25/88/73/780258873.db2.gz CISZHINSFFYCCH-UHTWSYAYSA-N 1 1 324.381 -1.284 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903527 780258983 /nfs/dbraw/zinc/25/89/83/780258983.db2.gz UJVUYSGRFFSAFA-VIFPVBQESA-N 1 1 306.367 -1.207 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921863 780259004 /nfs/dbraw/zinc/25/90/04/780259004.db2.gz RTILUQBJBUJUDA-UTUOFQBUSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921863 780259011 /nfs/dbraw/zinc/25/90/11/780259011.db2.gz RTILUQBJBUJUDA-UTUOFQBUSA-N 1 1 324.385 -1.517 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220933936 780260409 /nfs/dbraw/zinc/26/04/09/780260409.db2.gz POQOINSOMGGJHT-AEJSXWLSSA-N 1 1 314.342 -2.482 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934140 780260742 /nfs/dbraw/zinc/26/07/42/780260742.db2.gz ULIFHDVHMUQNTG-MXWKQRLJSA-N 1 1 312.370 -1.208 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220932325 780260860 /nfs/dbraw/zinc/26/08/60/780260860.db2.gz RKYRRWDAYBUITD-UTUOFQBUSA-N 1 1 324.381 -1.064 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220927272 780260957 /nfs/dbraw/zinc/26/09/57/780260957.db2.gz XYHWHPWUWIGYNL-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220937827 780261984 /nfs/dbraw/zinc/26/19/84/780261984.db2.gz BYFSKUCDGXRAAG-UTUOFQBUSA-N 1 1 314.386 -1.367 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220937790 780262486 /nfs/dbraw/zinc/26/24/86/780262486.db2.gz AQBNSEZNEDWVEP-AXFHLTTASA-N 1 1 302.375 -1.633 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1)OC ZINC001220938515 780262533 /nfs/dbraw/zinc/26/25/33/780262533.db2.gz XAAFSPUWKBQYSY-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220938157 780262830 /nfs/dbraw/zinc/26/28/30/780262830.db2.gz PCUHAIGQOSFYHW-BDAKNGLRSA-N 1 1 324.328 -1.512 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220938157 780262836 /nfs/dbraw/zinc/26/28/36/780262836.db2.gz PCUHAIGQOSFYHW-BDAKNGLRSA-N 1 1 324.328 -1.512 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220938173 780263078 /nfs/dbraw/zinc/26/30/78/780263078.db2.gz PNUKEZZHIBAXMO-TUAOUCFPSA-N 1 1 314.386 -1.367 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220940334 780263242 /nfs/dbraw/zinc/26/32/42/780263242.db2.gz TUUGLWMMYWZZRH-AXFHLTTASA-N 1 1 310.354 -1.454 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944236 780263313 /nfs/dbraw/zinc/26/33/13/780263313.db2.gz BOTCFGQZDPTPOO-MNOVXSKESA-N 1 1 312.370 -1.112 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975934 780264642 /nfs/dbraw/zinc/26/46/42/780264642.db2.gz BGNCEEWBIHDBBN-UPJWGTAASA-N 1 1 312.414 -1.376 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976248 780264934 /nfs/dbraw/zinc/26/49/34/780264934.db2.gz QNTCOWRKKJTISK-UPJWGTAASA-N 1 1 312.414 -1.374 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O ZINC001220992923 780265694 /nfs/dbraw/zinc/26/56/94/780265694.db2.gz MDEJXGNNPFCHOJ-MNOVXSKESA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001220992923 780265704 /nfs/dbraw/zinc/26/57/04/780265704.db2.gz MDEJXGNNPFCHOJ-MNOVXSKESA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220992664 780266252 /nfs/dbraw/zinc/26/62/52/780266252.db2.gz GBFJUPPCKBNMRH-BBBLOLIVSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220992664 780266262 /nfs/dbraw/zinc/26/62/62/780266262.db2.gz GBFJUPPCKBNMRH-BBBLOLIVSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001220992432 780266405 /nfs/dbraw/zinc/26/64/05/780266405.db2.gz AOOYSZAKXIIQNE-BBBLOLIVSA-N 1 1 311.379 -1.555 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001220987754 780266548 /nfs/dbraw/zinc/26/65/48/780266548.db2.gz SSNWDRQOEUXDTR-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986995 780267082 /nfs/dbraw/zinc/26/70/82/780267082.db2.gz FOHPAWRVFJULFG-AXFHLTTASA-N 1 1 321.399 -2.124 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220981108 780267559 /nfs/dbraw/zinc/26/75/59/780267559.db2.gz KOIQHFFWVQQUQM-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1O ZINC001220992494 780267639 /nfs/dbraw/zinc/26/76/39/780267639.db2.gz CULBXIZLOQJHCS-HCWSGVFWSA-N 1 1 319.427 -1.257 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220993212 780267743 /nfs/dbraw/zinc/26/77/43/780267743.db2.gz VARCSNURFASDBO-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220993212 780267745 /nfs/dbraw/zinc/26/77/45/780267745.db2.gz VARCSNURFASDBO-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220981544 780267765 /nfs/dbraw/zinc/26/77/65/780267765.db2.gz WSHCYDSBDFEQLO-MCIONIFRSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220981544 780267769 /nfs/dbraw/zinc/26/77/69/780267769.db2.gz WSHCYDSBDFEQLO-MCIONIFRSA-N 1 1 315.414 -1.502 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220999649 780268941 /nfs/dbraw/zinc/26/89/41/780268941.db2.gz MDXVTVJSXMEZJK-ZJUUUORDSA-N 1 1 323.415 -2.142 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220999649 780268949 /nfs/dbraw/zinc/26/89/49/780268949.db2.gz MDXVTVJSXMEZJK-ZJUUUORDSA-N 1 1 323.415 -2.142 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](CCO)CC2)C1=O ZINC000316702621 780271286 /nfs/dbraw/zinc/27/12/86/780271286.db2.gz QBZZYLYOTQFERZ-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019948 780271825 /nfs/dbraw/zinc/27/18/25/780271825.db2.gz ACHQTHSVNQYFEB-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091441 780274536 /nfs/dbraw/zinc/27/45/36/780274536.db2.gz OLLIUTMIQSANNM-XQQFMLRXSA-N 1 1 314.430 -1.035 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001221093644 780275099 /nfs/dbraw/zinc/27/50/99/780275099.db2.gz SFFMTLIJFPKEBG-AGIUHOORSA-N 1 1 312.414 -1.234 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001221093854 780275325 /nfs/dbraw/zinc/27/53/25/780275325.db2.gz ZVJMUFUEXRAWAQ-MNOVXSKESA-N 1 1 311.390 -1.788 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001221093509 780275818 /nfs/dbraw/zinc/27/58/18/780275818.db2.gz PEIOKHIKBXAODL-OLZOCXBDSA-N 1 1 310.402 -1.183 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001221099137 780276693 /nfs/dbraw/zinc/27/66/93/780276693.db2.gz BORPTNAMQUJHIY-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001221118922 780278475 /nfs/dbraw/zinc/27/84/75/780278475.db2.gz MQIATZQHFLUWCJ-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001221135190 780278550 /nfs/dbraw/zinc/27/85/50/780278550.db2.gz BZKRRNNXZIEYJA-TUAOUCFPSA-N 1 1 301.387 -1.165 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221168779 780279376 /nfs/dbraw/zinc/27/93/76/780279376.db2.gz AHQQZYUGCWYHAN-AXFHLTTASA-N 1 1 303.359 -2.189 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221159110 780280963 /nfs/dbraw/zinc/28/09/63/780280963.db2.gz GLWBVWZJLKMGBY-MXWKQRLJSA-N 1 1 302.375 -1.633 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221159110 780280971 /nfs/dbraw/zinc/28/09/71/780280971.db2.gz GLWBVWZJLKMGBY-MXWKQRLJSA-N 1 1 302.375 -1.633 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189716 780281702 /nfs/dbraw/zinc/28/17/02/780281702.db2.gz HEAHGOXUFQBXHX-UHTWSYAYSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001221202838 780283511 /nfs/dbraw/zinc/28/35/11/780283511.db2.gz SZEKIEWXHOVZQA-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001221202838 780283516 /nfs/dbraw/zinc/28/35/16/780283516.db2.gz SZEKIEWXHOVZQA-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221199995 780283659 /nfs/dbraw/zinc/28/36/59/780283659.db2.gz FWMSQLGLJNIQDF-AXFHLTTASA-N 1 1 313.354 -1.763 20 0 DAADMO CCC(CC)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221214266 780283686 /nfs/dbraw/zinc/28/36/86/780283686.db2.gz ZLIRAQSRIJIONT-NEPJUHHUSA-N 1 1 301.387 -1.308 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221195239 780283897 /nfs/dbraw/zinc/28/38/97/780283897.db2.gz QJXNTAWBATVQNO-TUAOUCFPSA-N 1 1 301.387 -1.322 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189969 780283980 /nfs/dbraw/zinc/28/39/80/780283980.db2.gz TXNIDCYHRRMEDQ-RTXFEEFZSA-N 1 1 311.386 -1.056 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194733 780284242 /nfs/dbraw/zinc/28/42/42/780284242.db2.gz IHNDYWKWPKAKML-UTUOFQBUSA-N 1 1 301.387 -1.058 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221233035 780284786 /nfs/dbraw/zinc/28/47/86/780284786.db2.gz UECIXOVUZWXEFV-DGCLKSJQSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221233035 780284788 /nfs/dbraw/zinc/28/47/88/780284788.db2.gz UECIXOVUZWXEFV-DGCLKSJQSA-N 1 1 308.382 -1.066 20 0 DAADMO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC001221256700 780286247 /nfs/dbraw/zinc/28/62/47/780286247.db2.gz IZBBBFUPGUHPOA-RYUDHWBXSA-N 1 1 310.354 -1.001 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221259810 780286305 /nfs/dbraw/zinc/28/63/05/780286305.db2.gz WEGDFILXZXSDEK-OPRDCNLKSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221259810 780286312 /nfs/dbraw/zinc/28/63/12/780286312.db2.gz WEGDFILXZXSDEK-OPRDCNLKSA-N 1 1 323.353 -2.007 20 0 DAADMO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)CNCCC[NH3+] ZINC001221256623 780286513 /nfs/dbraw/zinc/28/65/13/780286513.db2.gz FNHNFDPPGGLREX-LBPRGKRZSA-N 1 1 311.386 -1.051 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264457 780287475 /nfs/dbraw/zinc/28/74/75/780287475.db2.gz LTPOKRJOXVXTNB-HOSYDEDBSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264457 780287483 /nfs/dbraw/zinc/28/74/83/780287483.db2.gz LTPOKRJOXVXTNB-HOSYDEDBSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264392 780287610 /nfs/dbraw/zinc/28/76/10/780287610.db2.gz IXEQDDVKBFXSMR-HBNTYKKESA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264392 780287615 /nfs/dbraw/zinc/28/76/15/780287615.db2.gz IXEQDDVKBFXSMR-HBNTYKKESA-N 1 1 311.386 -1.336 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H]2NCN[C@H]21 ZINC001221265056 780288161 /nfs/dbraw/zinc/28/81/61/780288161.db2.gz FXWVTBJCWPQMFK-HOTMZDKISA-N 1 1 322.335 -1.564 20 0 DAADMO CN1C[C@@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1 ZINC001221316912 780290708 /nfs/dbraw/zinc/29/07/08/780290708.db2.gz NVMPFKWRDCSAIT-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)NCCN1CCCS1(=O)=O ZINC001221335100 780290747 /nfs/dbraw/zinc/29/07/47/780290747.db2.gz AJOOHCCEADGLGF-VIFPVBQESA-N 1 1 307.372 -1.581 20 0 DAADMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337398 780292924 /nfs/dbraw/zinc/29/29/24/780292924.db2.gz PWDXBZJILZDHHG-SNVBAGLBSA-N 1 1 301.372 -1.569 20 0 DAADMO O=C(Cc1ccon1)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001276823137 780293549 /nfs/dbraw/zinc/29/35/49/780293549.db2.gz MGUZYSXLLOINBU-NSHDSACASA-N 1 1 321.337 -1.041 20 0 DAADMO O=C(Cc1ccon1)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001276823137 780293552 /nfs/dbraw/zinc/29/35/52/780293552.db2.gz MGUZYSXLLOINBU-NSHDSACASA-N 1 1 321.337 -1.041 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001221434326 780294046 /nfs/dbraw/zinc/29/40/46/780294046.db2.gz OAYPTTBVVZASLP-FDYHWXHSSA-N 1 1 311.382 -1.195 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221496268 780294089 /nfs/dbraw/zinc/29/40/89/780294089.db2.gz QKLMUBQSXCYEAR-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221496268 780294096 /nfs/dbraw/zinc/29/40/96/780294096.db2.gz QKLMUBQSXCYEAR-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458906 780294183 /nfs/dbraw/zinc/29/41/83/780294183.db2.gz YPXPHMIDDFYUTL-DJLDLDEBSA-N 1 1 311.342 -2.022 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458906 780294192 /nfs/dbraw/zinc/29/41/92/780294192.db2.gz YPXPHMIDDFYUTL-DJLDLDEBSA-N 1 1 311.342 -2.022 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458301 780295308 /nfs/dbraw/zinc/29/53/08/780295308.db2.gz AZBGEMWURGHWKQ-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458301 780295319 /nfs/dbraw/zinc/29/53/19/780295319.db2.gz AZBGEMWURGHWKQ-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221508065 780295909 /nfs/dbraw/zinc/29/59/09/780295909.db2.gz BVUUQDGJQNDGGU-QJPTWQEYSA-N 1 1 314.386 -1.415 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221507042 780296155 /nfs/dbraw/zinc/29/61/55/780296155.db2.gz CIZCFJOKOMOXNF-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221507509 780296179 /nfs/dbraw/zinc/29/61/79/780296179.db2.gz MKDZCMJPJJHAFK-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221524822 780296582 /nfs/dbraw/zinc/29/65/82/780296582.db2.gz FBXSRRSWQHTIMW-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221524822 780296588 /nfs/dbraw/zinc/29/65/88/780296588.db2.gz FBXSRRSWQHTIMW-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001221554028 780296725 /nfs/dbraw/zinc/29/67/25/780296725.db2.gz BEZSVJOIWGHKLP-CHWSQXEVSA-N 1 1 324.385 -1.131 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)nn1 ZINC001221521079 780296743 /nfs/dbraw/zinc/29/67/43/780296743.db2.gz AQMKOUQACANVPK-DGCLKSJQSA-N 1 1 309.370 -1.030 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221508201 780297141 /nfs/dbraw/zinc/29/71/41/780297141.db2.gz KNYHNJXUFMTBOK-HBNTYKKESA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221508201 780297144 /nfs/dbraw/zinc/29/71/44/780297144.db2.gz KNYHNJXUFMTBOK-HBNTYKKESA-N 1 1 311.386 -1.336 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221547867 780297469 /nfs/dbraw/zinc/29/74/69/780297469.db2.gz YWUZMZBPVVADSM-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221598376 780298289 /nfs/dbraw/zinc/29/82/89/780298289.db2.gz KUBHCEBDNWCFND-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221598376 780298294 /nfs/dbraw/zinc/29/82/94/780298294.db2.gz KUBHCEBDNWCFND-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221654714 780298580 /nfs/dbraw/zinc/29/85/80/780298580.db2.gz SQVPNNDEWIVTBC-VXGBXAGGSA-N 1 1 312.370 -2.236 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221589361 780298790 /nfs/dbraw/zinc/29/87/90/780298790.db2.gz KRIRARRBRUILMA-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001221589233 780298845 /nfs/dbraw/zinc/29/88/45/780298845.db2.gz DBECHLYYDIZDHT-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001221596959 780299016 /nfs/dbraw/zinc/29/90/16/780299016.db2.gz CKZLPKXFUJNPEI-GRYCIOLGSA-N 1 1 314.386 -1.545 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221596967 780299459 /nfs/dbraw/zinc/29/94/59/780299459.db2.gz CRGXXJMOHXAVKY-OUAUKWLOSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221596967 780299465 /nfs/dbraw/zinc/29/94/65/780299465.db2.gz CRGXXJMOHXAVKY-OUAUKWLOSA-N 1 1 309.370 -1.663 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221591013 780299480 /nfs/dbraw/zinc/29/94/80/780299480.db2.gz LNWRPVFPICXKLP-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221778726 780300623 /nfs/dbraw/zinc/30/06/23/780300623.db2.gz WONXWHHQXIDIJI-GHMZBOCLSA-N 1 1 305.400 -1.420 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781193 780301815 /nfs/dbraw/zinc/30/18/15/780301815.db2.gz MLPDVQHSPOHMAB-GRYCIOLGSA-N 1 1 315.370 -1.972 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781194 780301860 /nfs/dbraw/zinc/30/18/60/780301860.db2.gz MLPDVQHSPOHMAB-IJLUTSLNSA-N 1 1 315.370 -1.972 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221859503 780302644 /nfs/dbraw/zinc/30/26/44/780302644.db2.gz WODBTBNRVWMTRX-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221859503 780302652 /nfs/dbraw/zinc/30/26/52/780302652.db2.gz WODBTBNRVWMTRX-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221834274 780303617 /nfs/dbraw/zinc/30/36/17/780303617.db2.gz RLLZRTCSZKLKGD-GMTAPVOTSA-N 1 1 305.400 -1.551 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221856456 780304069 /nfs/dbraw/zinc/30/40/69/780304069.db2.gz ZXCUUDYHKAPJBG-GHMZBOCLSA-N 1 1 319.427 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001221958278 780305755 /nfs/dbraw/zinc/30/57/55/780305755.db2.gz OAYPTTBVVZASLP-MROQNXINSA-N 1 1 311.382 -1.195 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001222022449 780306749 /nfs/dbraw/zinc/30/67/49/780306749.db2.gz JLJUNRPYTCBHPM-GMTAPVOTSA-N 1 1 305.400 -1.551 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001222005737 780307343 /nfs/dbraw/zinc/30/73/43/780307343.db2.gz NEVDBOSTQHWOKL-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001222005737 780307351 /nfs/dbraw/zinc/30/73/51/780307351.db2.gz NEVDBOSTQHWOKL-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001222044035 780307726 /nfs/dbraw/zinc/30/77/26/780307726.db2.gz MHUMABYYCJEVPH-VXGBXAGGSA-N 1 1 324.360 -1.104 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001222044035 780307733 /nfs/dbraw/zinc/30/77/33/780307733.db2.gz MHUMABYYCJEVPH-VXGBXAGGSA-N 1 1 324.360 -1.104 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCOC)C[C@H]21 ZINC001222022401 780307939 /nfs/dbraw/zinc/30/79/39/780307939.db2.gz HEWDKDCDXLEULK-GHMZBOCLSA-N 1 1 305.400 -1.285 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001222003927 780308065 /nfs/dbraw/zinc/30/80/65/780308065.db2.gz PAKHEGQAJMGAKZ-OUAUKWLOSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001222003927 780308070 /nfs/dbraw/zinc/30/80/70/780308070.db2.gz PAKHEGQAJMGAKZ-OUAUKWLOSA-N 1 1 309.370 -1.534 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222251655 780309511 /nfs/dbraw/zinc/30/95/11/780309511.db2.gz DDMFNRGGNGHGJT-WOPDTQHZSA-N 1 1 314.386 -1.415 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001222236031 780309776 /nfs/dbraw/zinc/30/97/76/780309776.db2.gz XHPPLKSNHNWROH-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001222257380 780309899 /nfs/dbraw/zinc/30/98/99/780309899.db2.gz KOEFIVLBAZOWBH-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]21 ZINC001222578357 780310936 /nfs/dbraw/zinc/31/09/36/780310936.db2.gz NRFMYVKYFZVGKB-AXFHLTTASA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C[C@@H]21 ZINC001222578357 780310944 /nfs/dbraw/zinc/31/09/44/780310944.db2.gz NRFMYVKYFZVGKB-AXFHLTTASA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)NC(N)=O ZINC001222683271 780312300 /nfs/dbraw/zinc/31/23/00/780312300.db2.gz HQIVVBKQOUSUIK-AXFHLTTASA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)NC(N)=O ZINC001222683271 780312307 /nfs/dbraw/zinc/31/23/07/780312307.db2.gz HQIVVBKQOUSUIK-AXFHLTTASA-N 1 1 311.386 -1.159 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222691325 780313026 /nfs/dbraw/zinc/31/30/26/780313026.db2.gz GPLSFYQNYNKMGD-UHFFFAOYSA-N 1 1 305.400 -1.265 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222691855 780313204 /nfs/dbraw/zinc/31/32/04/780313204.db2.gz UDAFYNPGUWOHRI-UHFFFAOYSA-N 1 1 313.358 -1.854 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001222693840 780313611 /nfs/dbraw/zinc/31/36/11/780313611.db2.gz CYYXLCOGFXICKM-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001276867901 780314780 /nfs/dbraw/zinc/31/47/80/780314780.db2.gz VQZGXYNRQVRABI-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001276867901 780314784 /nfs/dbraw/zinc/31/47/84/780314784.db2.gz VQZGXYNRQVRABI-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223201040 780314995 /nfs/dbraw/zinc/31/49/95/780314995.db2.gz XZSRJNDIYZSLOY-MNOVXSKESA-N 1 1 320.415 -2.045 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)cc1=O ZINC001276867356 780315162 /nfs/dbraw/zinc/31/51/62/780315162.db2.gz LMHDBHRDJBDVBR-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]2CCOCCO)cc1=O ZINC001276867356 780315167 /nfs/dbraw/zinc/31/51/67/780315167.db2.gz LMHDBHRDJBDVBR-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nncc1C[NH+]1CCC(CNC(=O)Cn2ncnn2)CC1 ZINC001223240478 780316438 /nfs/dbraw/zinc/31/64/38/780316438.db2.gz YNXHWBMMJZWZKL-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H](C)O)[C@H]2C1 ZINC001224162938 780319226 /nfs/dbraw/zinc/31/92/26/780319226.db2.gz WQTICTPLEZCTRH-TUAOUCFPSA-N 1 1 319.427 -1.161 20 0 DAADMO CCNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224293425 780320529 /nfs/dbraw/zinc/32/05/29/780320529.db2.gz KEXJVRTXXPVAAP-UHFFFAOYSA-N 1 1 313.358 -1.854 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001276970599 780320586 /nfs/dbraw/zinc/32/05/86/780320586.db2.gz SIBRVKIAZZGOTA-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001276970599 780320591 /nfs/dbraw/zinc/32/05/91/780320591.db2.gz SIBRVKIAZZGOTA-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)O1 ZINC001276989911 780322830 /nfs/dbraw/zinc/32/28/30/780322830.db2.gz FWFXKPHSUJSRMN-QEGBUVANSA-N 1 1 300.355 -1.191 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H]3C[C@@]32C(N)=O)O1 ZINC001276989911 780322834 /nfs/dbraw/zinc/32/28/34/780322834.db2.gz FWFXKPHSUJSRMN-QEGBUVANSA-N 1 1 300.355 -1.191 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001224893788 780324780 /nfs/dbraw/zinc/32/47/80/780324780.db2.gz AUQURCBGVRVJIA-MRVPVSSYSA-N 1 1 323.357 -1.170 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC001277021940 780325832 /nfs/dbraw/zinc/32/58/32/780325832.db2.gz HJGUJADFGADHIF-BXUZGUMPSA-N 1 1 321.385 -1.197 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC[C@H]1CCOC1)C(=O)C(N)=O ZINC001280849813 780327065 /nfs/dbraw/zinc/32/70/65/780327065.db2.gz KAGLIQZWEGBJPQ-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO O=C(Cn1cnnn1)NC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001225963626 780328558 /nfs/dbraw/zinc/32/85/58/780328558.db2.gz JJZUQACFMCIFEU-UHFFFAOYSA-N 1 1 321.385 -1.220 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001226260705 780332923 /nfs/dbraw/zinc/33/29/23/780332923.db2.gz XAFRLMUNJAMUOD-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001226732603 780335373 /nfs/dbraw/zinc/33/53/73/780335373.db2.gz SQBARBSKEBCTMG-SNVBAGLBSA-N 1 1 317.411 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)c1 ZINC001226850236 780335627 /nfs/dbraw/zinc/33/56/27/780335627.db2.gz CFPPCVKHMVRAAL-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC001226709336 780336096 /nfs/dbraw/zinc/33/60/96/780336096.db2.gz YKJLRNRKEMPPEY-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO CCNC(=O)CC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001226994469 780337393 /nfs/dbraw/zinc/33/73/93/780337393.db2.gz VQAWOMYYBKQKHW-UHFFFAOYSA-N 1 1 324.385 -1.285 20 0 DAADMO CCNC(=O)CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226994533 780337484 /nfs/dbraw/zinc/33/74/84/780337484.db2.gz XBKKYUJQXHKQTD-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CNC(=O)CC(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001227049595 780339094 /nfs/dbraw/zinc/33/90/94/780339094.db2.gz GEVKCVVMGXYDGP-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001227131583 780339108 /nfs/dbraw/zinc/33/91/08/780339108.db2.gz LNLROXBPZNXMFO-QMMMGPOBSA-N 1 1 313.314 -2.130 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227488805 780341436 /nfs/dbraw/zinc/34/14/36/780341436.db2.gz ZBIGRKJYFFZBNF-NXEZZACHSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001227555261 780342245 /nfs/dbraw/zinc/34/22/45/780342245.db2.gz WGYFAYRKEDDFHX-SECBINFHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCNS(C)(=O)=O)CC1 ZINC001227645281 780342806 /nfs/dbraw/zinc/34/28/06/780342806.db2.gz KCMIXFCCYUQMJX-SECBINFHSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227488807 780343001 /nfs/dbraw/zinc/34/30/01/780343001.db2.gz ZBIGRKJYFFZBNF-VHSXEESVSA-N 1 1 314.386 -1.408 20 0 DAADMO CCC[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)S(N)(=O)=O ZINC001228448669 780347459 /nfs/dbraw/zinc/34/74/59/780347459.db2.gz PATCHBQCXHWMSJ-JTQLQIEISA-N 1 1 320.415 -1.491 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001228588091 780348917 /nfs/dbraw/zinc/34/89/17/780348917.db2.gz ABWDVCWMTMFZMO-SECBINFHSA-N 1 1 311.342 -2.102 20 0 DAADMO O=C(NCCn1ccnn1)[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001277304890 780348954 /nfs/dbraw/zinc/34/89/54/780348954.db2.gz XKHBWLSKQPVAOR-LALPHHSUSA-N 1 1 318.381 -1.005 20 0 DAADMO Cn1c(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)c[nH]c1=O ZINC001228589615 780348978 /nfs/dbraw/zinc/34/89/78/780348978.db2.gz WUBDINVHQGXRRX-UHFFFAOYSA-N 1 1 324.341 -1.485 20 0 DAADMO O=C(Nc1nnco1)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]12 ZINC001277302627 780349020 /nfs/dbraw/zinc/34/90/20/780349020.db2.gz ACVPEKLSGIPHIH-XHNCKOQMSA-N 1 1 320.309 -1.027 20 0 DAADMO O=C(Nc1nnco1)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]12 ZINC001277302627 780349022 /nfs/dbraw/zinc/34/90/22/780349022.db2.gz ACVPEKLSGIPHIH-XHNCKOQMSA-N 1 1 320.309 -1.027 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001277304415 780349107 /nfs/dbraw/zinc/34/91/07/780349107.db2.gz UAUDRZIFNZGXNP-ZETOZRRWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001277304415 780349114 /nfs/dbraw/zinc/34/91/14/780349114.db2.gz UAUDRZIFNZGXNP-ZETOZRRWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@@H+]2C[C@H]1CCC(=O)N1 ZINC001277304412 780349508 /nfs/dbraw/zinc/34/95/08/780349508.db2.gz UAUDRZIFNZGXNP-HFAKWTLXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@H+]2C[C@H]1CCC(=O)N1 ZINC001277304412 780349514 /nfs/dbraw/zinc/34/95/14/780349514.db2.gz UAUDRZIFNZGXNP-HFAKWTLXSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001228596333 780349915 /nfs/dbraw/zinc/34/99/15/780349915.db2.gz HNTVRKSQLKRMNI-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)NCC1CC1 ZINC001228895697 780352748 /nfs/dbraw/zinc/35/27/48/780352748.db2.gz OUFRHQUBYHVFHF-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)[nH]c1=O ZINC001228992078 780352932 /nfs/dbraw/zinc/35/29/32/780352932.db2.gz MLLHFJHMUJEGGM-UHFFFAOYSA-N 1 1 324.341 -1.485 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001228895956 780353037 /nfs/dbraw/zinc/35/30/37/780353037.db2.gz SHAIJXRSNJCPKX-LLVKDONJSA-N 1 1 311.386 -1.227 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001228912745 780353424 /nfs/dbraw/zinc/35/34/24/780353424.db2.gz SZGFTWWZQULWPN-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCCS(N)(=O)=O)CC1 ZINC001228912980 780353572 /nfs/dbraw/zinc/35/35/72/780353572.db2.gz WOSYZYRCFTULKH-UHFFFAOYSA-N 1 1 320.415 -1.618 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2cccnc2)CC1 ZINC001229305528 780353973 /nfs/dbraw/zinc/35/39/73/780353973.db2.gz FEJJGVBXADNFRP-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO CNC(=O)C1(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001229601778 780356358 /nfs/dbraw/zinc/35/63/58/780356358.db2.gz WGIAYHZKPHADHW-LLVKDONJSA-N 1 1 308.382 -1.018 20 0 DAADMO Cc1ccnn1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229377397 780356409 /nfs/dbraw/zinc/35/64/09/780356409.db2.gz SAFLIMQGXVLQCU-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC001229592326 780356724 /nfs/dbraw/zinc/35/67/24/780356724.db2.gz AMPGIPHVISLCCE-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001229723553 780357746 /nfs/dbraw/zinc/35/77/46/780357746.db2.gz SFDOQGCIMSWWPL-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001229740528 780359067 /nfs/dbraw/zinc/35/90/67/780359067.db2.gz LWWZGVSODDISLE-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CN(CC[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1)S(C)(=O)=O ZINC001277423779 780360074 /nfs/dbraw/zinc/36/00/74/780360074.db2.gz VRKADVOOVCBJJP-UHFFFAOYSA-N 1 1 320.415 -1.714 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001230083277 780360155 /nfs/dbraw/zinc/36/01/55/780360155.db2.gz DPPSCFHRFPYZEB-VIFPVBQESA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229985077 780360406 /nfs/dbraw/zinc/36/04/06/780360406.db2.gz JMTFNIMUIOVGNZ-QMMMGPOBSA-N 1 1 323.357 -1.489 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229985076 780361362 /nfs/dbraw/zinc/36/13/62/780361362.db2.gz JMTFNIMUIOVGNZ-MRVPVSSYSA-N 1 1 323.357 -1.489 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001230285022 780362900 /nfs/dbraw/zinc/36/29/00/780362900.db2.gz HRPLGEMQJRNZCF-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CNC(=O)Cn2cncn2)CC1 ZINC001230349008 780363991 /nfs/dbraw/zinc/36/39/91/780363991.db2.gz CCGYJRRDRCMWCU-UHFFFAOYSA-N 1 1 323.357 -2.540 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2ccnc2)CC1 ZINC001230438281 780367214 /nfs/dbraw/zinc/36/72/14/780367214.db2.gz GMFYMXDEWFOLHG-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001230645920 780369742 /nfs/dbraw/zinc/36/97/42/780369742.db2.gz BRSHWSWBHWZEPP-KGLIPLIRSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001230646460 780370018 /nfs/dbraw/zinc/37/00/18/780370018.db2.gz ORYVFWJPUDRYMH-LBPRGKRZSA-N 1 1 324.381 -1.196 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001230646460 780370026 /nfs/dbraw/zinc/37/00/26/780370026.db2.gz ORYVFWJPUDRYMH-LBPRGKRZSA-N 1 1 324.381 -1.196 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(N)=O ZINC001230730944 780371034 /nfs/dbraw/zinc/37/10/34/780371034.db2.gz OIZKJOWXKVPABH-LLVKDONJSA-N 1 1 302.375 -1.150 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C(=O)CNC(N)=O ZINC001230735257 780371532 /nfs/dbraw/zinc/37/15/32/780371532.db2.gz NZZLUMYCFSPKAX-NWDGAFQWSA-N 1 1 324.385 -1.555 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)OC ZINC001230917590 780375177 /nfs/dbraw/zinc/37/51/77/780375177.db2.gz WUPGGKBVAHLALB-GHMZBOCLSA-N 1 1 303.359 -1.118 20 0 DAADMO Cn1cnc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC001277480619 780377315 /nfs/dbraw/zinc/37/73/15/780377315.db2.gz BQANHMPHOCNARY-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO Cn1cnc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC001277480620 780377959 /nfs/dbraw/zinc/37/79/59/780377959.db2.gz BQANHMPHOCNARY-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CN1CC[C@@H](C(=O)NCCOCC[N@@H+](C)CCO)CC1=O ZINC001277501094 780378667 /nfs/dbraw/zinc/37/86/67/780378667.db2.gz HPFNVSLMOHQNSD-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)c1cnnn1C ZINC001277487950 780378757 /nfs/dbraw/zinc/37/87/57/780378757.db2.gz TYMMPAWFOPEQBQ-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)c1cnnn1C ZINC001277487950 780378766 /nfs/dbraw/zinc/37/87/66/780378766.db2.gz TYMMPAWFOPEQBQ-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231218591 780379074 /nfs/dbraw/zinc/37/90/74/780379074.db2.gz XFBKRXYAPCXYTQ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC001277486646 780379732 /nfs/dbraw/zinc/37/97/32/780379732.db2.gz CIPNWGSDDBCBMQ-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001231279090 780379830 /nfs/dbraw/zinc/37/98/30/780379830.db2.gz WVPYXDDWDRZQEW-UHFFFAOYSA-N 1 1 322.431 -1.548 20 0 DAADMO Cn1nncc1C(=O)NCCOCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001277487404 780379955 /nfs/dbraw/zinc/37/99/55/780379955.db2.gz LWHNVZPJFDCLBB-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231285741 780380863 /nfs/dbraw/zinc/38/08/63/780380863.db2.gz QRMVWRYXLIRLJN-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C(=O)CC(N)=O ZINC001231360330 780381628 /nfs/dbraw/zinc/38/16/28/780381628.db2.gz VWVYNKXAJGRMBY-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(CC(=O)N3CCOCC3)C2)C1 ZINC001277503903 780381943 /nfs/dbraw/zinc/38/19/43/780381943.db2.gz HIGIEYJFQHZFCM-UHFFFAOYSA-N 1 1 324.425 -1.059 20 0 DAADMO C[N@H+](CCO)CCOCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001277542183 780382512 /nfs/dbraw/zinc/38/25/12/780382512.db2.gz PAWNOYDOVDATQV-NSHDSACASA-N 1 1 308.400 -1.380 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001277542183 780382522 /nfs/dbraw/zinc/38/25/22/780382522.db2.gz PAWNOYDOVDATQV-NSHDSACASA-N 1 1 308.400 -1.380 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001277535548 780382804 /nfs/dbraw/zinc/38/28/04/780382804.db2.gz OFDYUHRYJJYBFC-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001277535548 780382814 /nfs/dbraw/zinc/38/28/14/780382814.db2.gz OFDYUHRYJJYBFC-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)CCO)n(C)c1=O ZINC001277542814 780383704 /nfs/dbraw/zinc/38/37/04/780383704.db2.gz ZBPAQXMPLAUDKF-UHFFFAOYSA-N 1 1 300.359 -1.606 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@@H]21 ZINC001277525826 780384026 /nfs/dbraw/zinc/38/40/26/780384026.db2.gz WZHSQECHFGDDED-RDBSUJKOSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@@H]21 ZINC001277525826 780384033 /nfs/dbraw/zinc/38/40/33/780384033.db2.gz WZHSQECHFGDDED-RDBSUJKOSA-N 1 1 313.398 -1.125 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1 ZINC001277530294 780384347 /nfs/dbraw/zinc/38/43/47/780384347.db2.gz AHRZAKOSXVDKLR-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CCOCCO)C1 ZINC001277574909 780385658 /nfs/dbraw/zinc/38/56/58/780385658.db2.gz CPXXDXYDXRAICT-CYBMUJFWSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CCOCCO)C1 ZINC001277574909 780385667 /nfs/dbraw/zinc/38/56/67/780385667.db2.gz CPXXDXYDXRAICT-CYBMUJFWSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C)C(=O)CC[N@H+]1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001277636282 780386577 /nfs/dbraw/zinc/38/65/77/780386577.db2.gz IXOHNVHVOLAPTC-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO COCCC[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001277598413 780387228 /nfs/dbraw/zinc/38/72/28/780387228.db2.gz UPLOFDYMAWTNLF-UHFFFAOYSA-N 1 1 310.358 -1.444 20 0 DAADMO COCCCC[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001277597272 780387679 /nfs/dbraw/zinc/38/76/79/780387679.db2.gz CKRVICOMZXRWNC-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C)C(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001277637624 780388594 /nfs/dbraw/zinc/38/85/94/780388594.db2.gz YCURXFURZRDVNN-BETUJISGSA-N 1 1 312.414 -1.062 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001277670796 780389256 /nfs/dbraw/zinc/38/92/56/780389256.db2.gz JONIBMBGIKMSKT-LLVKDONJSA-N 1 1 313.354 -1.811 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001233590147 780391222 /nfs/dbraw/zinc/39/12/22/780391222.db2.gz TZNFYFIKQDXKFN-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)C1=COCCO1 ZINC001233562844 780391273 /nfs/dbraw/zinc/39/12/73/780391273.db2.gz UYDSWQYCRXJTJF-SECBINFHSA-N 1 1 314.342 -1.104 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001233580647 780391403 /nfs/dbraw/zinc/39/14/03/780391403.db2.gz QCIIAKMBVKIPET-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233706136 780392280 /nfs/dbraw/zinc/39/22/80/780392280.db2.gz SJLMVUBLTMVVNF-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233751369 780392503 /nfs/dbraw/zinc/39/25/03/780392503.db2.gz ROOLKTWQPUQYKX-UHFFFAOYSA-N 1 1 311.390 -1.020 20 0 DAADMO C[N@H+](CCCNC(=O)Cn1cnnn1)CCCS(C)(=O)=O ZINC001233751399 780392533 /nfs/dbraw/zinc/39/25/33/780392533.db2.gz SBICABGVNYTXNQ-UHFFFAOYSA-N 1 1 318.403 -1.454 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCCS(C)(=O)=O ZINC001233751399 780392545 /nfs/dbraw/zinc/39/25/45/780392545.db2.gz SBICABGVNYTXNQ-UHFFFAOYSA-N 1 1 318.403 -1.454 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCCNC(=O)Cn2cnnn2)C1=O ZINC001233751515 780392720 /nfs/dbraw/zinc/39/27/20/780392720.db2.gz URQONFACRPUKEO-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCN1CCNC1=O ZINC001233751174 780392978 /nfs/dbraw/zinc/39/29/78/780392978.db2.gz PEXQXDPVAMDGMW-UHFFFAOYSA-N 1 1 310.362 -1.864 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCN1C(=O)CNC1=O ZINC001233750089 780392996 /nfs/dbraw/zinc/39/29/96/780392996.db2.gz HEXKYCFKKCYGAZ-UHFFFAOYSA-N 1 1 324.345 -2.337 20 0 DAADMO CSCC(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001233628968 780393129 /nfs/dbraw/zinc/39/31/29/780393129.db2.gz KXPAOBZOVNMRQI-UHFFFAOYSA-N 1 1 316.427 -1.254 20 0 DAADMO CSCC(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001233628968 780393138 /nfs/dbraw/zinc/39/31/38/780393138.db2.gz KXPAOBZOVNMRQI-UHFFFAOYSA-N 1 1 316.427 -1.254 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)CCCNC(=O)Cn2cnnn2)C1=O ZINC001233750995 780393401 /nfs/dbraw/zinc/39/34/01/780393401.db2.gz NKMBQNXOWMYHOL-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@@H](O)Cn1cccn1 ZINC001233722790 780393717 /nfs/dbraw/zinc/39/37/17/780393717.db2.gz SDDPPTHIHJCQAC-LLVKDONJSA-N 1 1 312.374 -1.650 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CCNS(C)(=O)=O ZINC001233722442 780393986 /nfs/dbraw/zinc/39/39/86/780393986.db2.gz MXJPEMNPCFMINJ-UHFFFAOYSA-N 1 1 309.392 -2.358 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847089 780396905 /nfs/dbraw/zinc/39/69/05/780396905.db2.gz MHOJPSHQEHUBGH-MNOVXSKESA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847089 780396915 /nfs/dbraw/zinc/39/69/15/780396915.db2.gz MHOJPSHQEHUBGH-MNOVXSKESA-N 1 1 324.385 -1.007 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001233881607 780400359 /nfs/dbraw/zinc/40/03/59/780400359.db2.gz ROVDAUCVMQDVOQ-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001233881607 780400367 /nfs/dbraw/zinc/40/03/67/780400367.db2.gz ROVDAUCVMQDVOQ-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cccn1 ZINC001233946482 780402026 /nfs/dbraw/zinc/40/20/26/780402026.db2.gz AHYJDQJNKUAZMR-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001234172582 780404454 /nfs/dbraw/zinc/40/44/54/780404454.db2.gz HMSASDWEFHPDJC-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1COCCO1)CCN1CCNC1=O ZINC001234234520 780404812 /nfs/dbraw/zinc/40/48/12/780404812.db2.gz KUPBBGYLXYYTTJ-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234415738 780408350 /nfs/dbraw/zinc/40/83/50/780408350.db2.gz UXCXYRUSWCTCAS-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413261 780408866 /nfs/dbraw/zinc/40/88/66/780408866.db2.gz IBBZSKGGNFGUHX-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413378 780409451 /nfs/dbraw/zinc/40/94/51/780409451.db2.gz JJZBVZVQWOCQNJ-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001234975881 780411646 /nfs/dbraw/zinc/41/16/46/780411646.db2.gz RKQLUWHUUWRKEY-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO C[N@H+](CCCNC(=O)CS(C)(=O)=O)CCN1CCNC1=O ZINC001234965980 780411810 /nfs/dbraw/zinc/41/18/10/780411810.db2.gz GYLYNOSJPHTTTA-UHFFFAOYSA-N 1 1 320.415 -1.506 20 0 DAADMO C[N@@H+](CCCNC(=O)CS(C)(=O)=O)CCN1CCNC1=O ZINC001234965980 780411813 /nfs/dbraw/zinc/41/18/13/780411813.db2.gz GYLYNOSJPHTTTA-UHFFFAOYSA-N 1 1 320.415 -1.506 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCNS(C)(=O)=O ZINC001234922164 780411988 /nfs/dbraw/zinc/41/19/88/780411988.db2.gz IMMBMSFDSXTMMB-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](C)O ZINC001234975087 780412507 /nfs/dbraw/zinc/41/25/07/780412507.db2.gz QAGMNILCQUEFNU-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC001234923719 780412559 /nfs/dbraw/zinc/41/25/59/780412559.db2.gz NMIDQZDFNXZBSM-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001235055246 780415019 /nfs/dbraw/zinc/41/50/19/780415019.db2.gz ZOLXXLXNCSYMBN-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001235055246 780415025 /nfs/dbraw/zinc/41/50/25/780415025.db2.gz ZOLXXLXNCSYMBN-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCOC1 ZINC001235215408 780415079 /nfs/dbraw/zinc/41/50/79/780415079.db2.gz OXUJZEWZCATKMT-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCN1 ZINC001235441496 780416612 /nfs/dbraw/zinc/41/66/12/780416612.db2.gz FJEONFVGXXXHMU-OQEOFVATSA-N 1 1 316.354 -1.330 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCN1 ZINC001235441496 780416618 /nfs/dbraw/zinc/41/66/18/780416618.db2.gz FJEONFVGXXXHMU-OQEOFVATSA-N 1 1 316.354 -1.330 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235525970 780416719 /nfs/dbraw/zinc/41/67/19/780416719.db2.gz MRHFOIKGEIRLRM-RKDXNWHRSA-N 1 1 314.342 -1.572 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCN[C@@H](C(N)=O)C3)[C@@H](O)[C@@H]2O1 ZINC001235754868 780418319 /nfs/dbraw/zinc/41/83/19/780418319.db2.gz WEPOJFUMBAZSJI-ULHKAFAUSA-N 1 1 301.343 -2.017 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2CC[N@@H+](CCO)CC[C@H]2S1(=O)=O ZINC001235625653 780418644 /nfs/dbraw/zinc/41/86/44/780418644.db2.gz RJOFHFVRYJJYQD-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001235767038 780418691 /nfs/dbraw/zinc/41/86/91/780418691.db2.gz UUXWDJBLKGENGQ-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CCNC(=O)CCC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235614266 780418788 /nfs/dbraw/zinc/41/87/88/780418788.db2.gz SUOVUBOWDNDCFH-UHFFFAOYSA-N 1 1 315.374 -1.464 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1=CNN2C=CNC=C12 ZINC001277977433 780420002 /nfs/dbraw/zinc/42/00/02/780420002.db2.gz AEMJYRDYQNFTMP-RYUDHWBXSA-N 1 1 316.365 -1.233 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1=CNN2C=CNC=C12 ZINC001277977433 780420007 /nfs/dbraw/zinc/42/00/07/780420007.db2.gz AEMJYRDYQNFTMP-RYUDHWBXSA-N 1 1 316.365 -1.233 20 0 DAADMO COC(=O)[C@@]1(N)CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236274184 780420198 /nfs/dbraw/zinc/42/01/98/780420198.db2.gz CSRGASKASCSZQE-MZODFIPJSA-N 1 1 316.354 -1.200 20 0 DAADMO COC(=O)[C@@]1(N)CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236274184 780420204 /nfs/dbraw/zinc/42/02/04/780420204.db2.gz CSRGASKASCSZQE-MZODFIPJSA-N 1 1 316.354 -1.200 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001277979370 780420352 /nfs/dbraw/zinc/42/03/52/780420352.db2.gz XUORGHBHMNSMNY-UHFFFAOYSA-N 1 1 319.365 -1.347 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001277979370 780420356 /nfs/dbraw/zinc/42/03/56/780420356.db2.gz XUORGHBHMNSMNY-UHFFFAOYSA-N 1 1 319.365 -1.347 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@@H]2OCCN(C(=O)c3ncnn3C)[C@H]2C1 ZINC001277994402 780421167 /nfs/dbraw/zinc/42/11/67/780421167.db2.gz NPGFEBQFOIFQCS-SRVKXCTJSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnnn1C ZINC001278010362 780421308 /nfs/dbraw/zinc/42/13/08/780421308.db2.gz PKEJWUJJZWLCAI-SECBINFHSA-N 1 1 323.357 -1.704 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001278128165 780428259 /nfs/dbraw/zinc/42/82/59/780428259.db2.gz GOUJAMPDPNSPOP-MNOVXSKESA-N 1 1 310.354 -1.060 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001278128164 780428452 /nfs/dbraw/zinc/42/84/52/780428452.db2.gz GOUJAMPDPNSPOP-GHMZBOCLSA-N 1 1 310.354 -1.060 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]CCO[C@@H]1CC1(F)F)c1cnn[nH]1 ZINC001278105755 780429021 /nfs/dbraw/zinc/42/90/21/780429021.db2.gz NRQOBADSKYTQTF-VXNVDRBHSA-N 1 1 305.285 -1.091 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC2=O)nn1 ZINC001278127709 780429330 /nfs/dbraw/zinc/42/93/30/780429330.db2.gz CZTXOGJORNLUQD-MNOVXSKESA-N 1 1 323.353 -1.812 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)c1 ZINC001278139676 780430191 /nfs/dbraw/zinc/43/01/91/780430191.db2.gz VCDHQKCAGDIUDL-NSHDSACASA-N 1 1 322.365 -1.078 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)c1 ZINC001278139675 780430578 /nfs/dbraw/zinc/43/05/78/780430578.db2.gz VCDHQKCAGDIUDL-LLVKDONJSA-N 1 1 322.365 -1.078 20 0 DAADMO CC(C)(C)CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001278145649 780430640 /nfs/dbraw/zinc/43/06/40/780430640.db2.gz BDQHWQPYJCZMCR-VIFPVBQESA-N 1 1 302.375 -1.909 20 0 DAADMO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001278145957 780430988 /nfs/dbraw/zinc/43/09/88/780430988.db2.gz CTJVORZCHDUKGF-WDEREUQCSA-N 1 1 316.402 -1.569 20 0 DAADMO CN(C)C(=O)c1cccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)c1 ZINC001278148428 780432101 /nfs/dbraw/zinc/43/21/01/780432101.db2.gz VDKWYLBEIXXIIO-LBPRGKRZSA-N 1 1 322.365 -1.560 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)cn1 ZINC001278156152 780432264 /nfs/dbraw/zinc/43/22/64/780432264.db2.gz VWENUILFHOPVJN-DOMZBBRYSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cn1 ZINC001278156155 780432478 /nfs/dbraw/zinc/43/24/78/780432478.db2.gz VWENUILFHOPVJN-IUODEOHRSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1ccc(NC(=O)C(=O)NC[C@H](CO)[NH2+]CC(N)=O)cc1 ZINC001278194083 780434725 /nfs/dbraw/zinc/43/47/25/780434725.db2.gz GRINSRPLDXDCPZ-LLVKDONJSA-N 1 1 308.338 -1.514 20 0 DAADMO O=C(CCNS(=O)(=O)C1CC[NH2+]CC1)N1CCNCC1 ZINC001238181756 780435371 /nfs/dbraw/zinc/43/53/71/780435371.db2.gz KWFFRWHHDPJTBC-UHFFFAOYSA-N 1 1 304.416 -1.520 20 0 DAADMO O=C(CCNS(=O)(=O)CC1CC[NH2+]CC1)N1CCNCC1 ZINC001238181433 780435818 /nfs/dbraw/zinc/43/58/18/780435818.db2.gz HTRMJXSSDKKKNB-UHFFFAOYSA-N 1 1 318.443 -1.273 20 0 DAADMO O=S(=O)(NCc1nnc2n1CCCNC2)[C@H]1CC[NH2+]C1 ZINC001238255577 780436861 /nfs/dbraw/zinc/43/68/61/780436861.db2.gz ILVYVIAOCZWXHL-VIFPVBQESA-N 1 1 300.388 -1.447 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NS(=O)(=O)CC[NH3+])CC1 ZINC001238827772 780439626 /nfs/dbraw/zinc/43/96/26/780439626.db2.gz FJWASKTZTYMAEC-XYPYZODXSA-N 1 1 306.432 -1.147 20 0 DAADMO O=C1CCC[C@@]2(CNCCN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C2)N1 ZINC001239045414 780441150 /nfs/dbraw/zinc/44/11/50/780441150.db2.gz GZXWIDMERUWNGV-YPMHNXCESA-N 1 1 316.427 -1.378 20 0 DAADMO O=C1CCC[C@@]2(CNCCN(S(=O)(=O)[C@H]3CC[NH2+]C3)C2)N1 ZINC001239045392 780441212 /nfs/dbraw/zinc/44/12/12/780441212.db2.gz GZXWIDMERUWNGV-AAEUAGOBSA-N 1 1 316.427 -1.378 20 0 DAADMO [NH3+]CCS(=O)(=O)N1CCC(C(=O)N2CCNCC2)CC1 ZINC001239060246 780441344 /nfs/dbraw/zinc/44/13/44/780441344.db2.gz NTOPCMNALVAGGM-UHFFFAOYSA-N 1 1 304.416 -1.581 20 0 DAADMO O=C1CCC[C@]2(CNCCN(S(=O)(=O)[C@H]3CC[NH2+]C3)C2)N1 ZINC001239045411 780441367 /nfs/dbraw/zinc/44/13/67/780441367.db2.gz GZXWIDMERUWNGV-WCQYABFASA-N 1 1 316.427 -1.378 20 0 DAADMO [NH3+]CCS(=O)(=O)NCCNC(=O)C(F)(F)Br ZINC001238919979 780441380 /nfs/dbraw/zinc/44/13/80/780441380.db2.gz PIVPQUMTFWUOQZ-UHFFFAOYSA-N 1 1 324.147 -1.032 20 0 DAADMO O=S(=O)(c1ncc[nH]1)N1CCNCC[NH2+]CCNCC1 ZINC001239095874 780442891 /nfs/dbraw/zinc/44/28/91/780442891.db2.gz OOGWGXDBKAVIPC-UHFFFAOYSA-N 1 1 302.404 -1.817 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001278421552 780448366 /nfs/dbraw/zinc/44/83/66/780448366.db2.gz VVSACMLDBZNFNN-MFKMUULPSA-N 1 1 300.359 -1.743 20 0 DAADMO COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CN1 ZINC001246134468 780450997 /nfs/dbraw/zinc/45/09/97/780450997.db2.gz RAJVCGSNJMOGDS-OUAUKWLOSA-N 1 1 317.411 -1.601 20 0 DAADMO Cc1cn(CC(=O)NCC[NH2+][C@H]2CCCNC2)c(=O)[nH]c1=O ZINC001246306520 780452393 /nfs/dbraw/zinc/45/23/93/780452393.db2.gz WRKCWMCWZQAIMC-NSHDSACASA-N 1 1 309.370 -1.285 20 0 DAADMO COC(=O)[C@@H](N)CC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246334699 780454190 /nfs/dbraw/zinc/45/41/90/780454190.db2.gz PBWNNFRQJBSADD-DCAQKATOSA-N 1 1 316.427 -1.270 20 0 DAADMO C[C@H]1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1 ZINC001246522387 780454242 /nfs/dbraw/zinc/45/42/42/780454242.db2.gz CIIPMTKXBIPVLC-DQDHUVNJSA-N 1 1 304.387 -1.439 20 0 DAADMO C[C@@H]1C[C@@H](NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1 ZINC001246524126 780454898 /nfs/dbraw/zinc/45/48/98/780454898.db2.gz JQGCUSBFJJYDNA-IXAOELMOSA-N 1 1 304.387 -1.439 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@@]3(CNCCO3)C2)CCN1 ZINC001246608499 780455557 /nfs/dbraw/zinc/45/55/57/780455557.db2.gz XILHVILFBMCBRB-KCQAQPDRSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOC[C@@]3(CNCCO3)C2)CCN1 ZINC001246608499 780455561 /nfs/dbraw/zinc/45/55/61/780455561.db2.gz XILHVILFBMCBRB-KCQAQPDRSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCOC[C@]3(CNCCO3)C2)CCN1 ZINC001246608503 780455605 /nfs/dbraw/zinc/45/56/05/780455605.db2.gz XILHVILFBMCBRB-YDHLFZDLSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCOC[C@]3(CNCCO3)C2)CCN1 ZINC001246608503 780455607 /nfs/dbraw/zinc/45/56/07/780455607.db2.gz XILHVILFBMCBRB-YDHLFZDLSA-N 1 1 313.398 -1.029 20 0 DAADMO C[C@H]1C[C@H](NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1 ZINC001246524124 780455793 /nfs/dbraw/zinc/45/57/93/780455793.db2.gz JQGCUSBFJJYDNA-DQDHUVNJSA-N 1 1 304.387 -1.439 20 0 DAADMO C[C@H]1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1 ZINC001246522399 780455871 /nfs/dbraw/zinc/45/58/71/780455871.db2.gz CIIPMTKXBIPVLC-QCXNTBKTSA-N 1 1 304.387 -1.439 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001246757569 780456694 /nfs/dbraw/zinc/45/66/94/780456694.db2.gz CEIGBTVOIPXTJF-XUJVJEKNSA-N 1 1 324.381 -1.687 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CCn3c(CNC(C)=O)nnc3C2)C[NH2+]1 ZINC001246745629 780456810 /nfs/dbraw/zinc/45/68/10/780456810.db2.gz FQGPXJGVSJFOFR-QWRGUYRKSA-N 1 1 322.369 -1.367 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001278506672 780461383 /nfs/dbraw/zinc/46/13/83/780461383.db2.gz TZILCIXOVOQPGB-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251009773 780463694 /nfs/dbraw/zinc/46/36/94/780463694.db2.gz PZXGBLKMHUIRPU-GUTXKFCHSA-N 1 1 314.382 -1.199 20 0 DAADMO CCOC(=O)CN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001251003419 780463837 /nfs/dbraw/zinc/46/38/37/780463837.db2.gz KYXZXAMTDDIAEH-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CCOC(=O)C1CCC(O)(C[NH2+]C(C(N)=O)C(N)=O)CC1 ZINC001251068700 780464618 /nfs/dbraw/zinc/46/46/18/780464618.db2.gz YXFLNISLEXFQBJ-UHFFFAOYSA-N 1 1 301.343 -1.600 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC001251735243 780465910 /nfs/dbraw/zinc/46/59/10/780465910.db2.gz SSTGCCJXELXGBU-NSHDSACASA-N 1 1 322.431 -1.068 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801112 780467292 /nfs/dbraw/zinc/46/72/92/780467292.db2.gz FNZVDFHSUZUIDH-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801112 780467301 /nfs/dbraw/zinc/46/73/01/780467301.db2.gz FNZVDFHSUZUIDH-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCS(C)(=O)=O ZINC001251778821 780467789 /nfs/dbraw/zinc/46/77/89/780467789.db2.gz HGRYTRGVGHYRAS-LLVKDONJSA-N 1 1 306.432 -1.034 20 0 DAADMO O=C(Nc1cnccn1)[C@H]1COC[C@H]2C[N@H+](C[C@H](O)CO)C[C@H]21 ZINC001252057953 780469135 /nfs/dbraw/zinc/46/91/35/780469135.db2.gz RPXVPCBWFMZNDI-XQHKEYJVSA-N 1 1 322.365 -1.037 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)CO)[C@@H]3CCCO[C@H]23)cn1 ZINC001252059700 780469158 /nfs/dbraw/zinc/46/91/58/780469158.db2.gz HZHDABFIALSIPH-REWJHTLYSA-N 1 1 324.381 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)CO)[C@@H]3CCCO[C@H]23)cn1 ZINC001252059700 780469164 /nfs/dbraw/zinc/46/91/64/780469164.db2.gz HZHDABFIALSIPH-REWJHTLYSA-N 1 1 324.381 -1.265 20 0 DAADMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC001252057029 780469278 /nfs/dbraw/zinc/46/92/78/780469278.db2.gz AHZPZZRLEDJTST-SGMGOOAPSA-N 1 1 302.371 -1.274 20 0 DAADMO CC(C)C(=O)N1CCO[C@]2(C1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001252059936 780469545 /nfs/dbraw/zinc/46/95/45/780469545.db2.gz QPOKRGDUBRMSBE-DZGCQCFKSA-N 1 1 316.398 -1.075 20 0 DAADMO CC(C)C(=O)N1CCO[C@]2(C1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001252059936 780469548 /nfs/dbraw/zinc/46/95/48/780469548.db2.gz QPOKRGDUBRMSBE-DZGCQCFKSA-N 1 1 316.398 -1.075 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12 ZINC001252059916 780469555 /nfs/dbraw/zinc/46/95/55/780469555.db2.gz PCBASLSGOJNNTA-FMCLSXCISA-N 1 1 309.366 -1.193 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12 ZINC001252059916 780469557 /nfs/dbraw/zinc/46/95/57/780469557.db2.gz PCBASLSGOJNNTA-FMCLSXCISA-N 1 1 309.366 -1.193 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252419004 780470087 /nfs/dbraw/zinc/47/00/87/780470087.db2.gz WGWZBFVLFNMPCK-DCAQKATOSA-N 1 1 313.354 -1.716 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252419004 780470094 /nfs/dbraw/zinc/47/00/94/780470094.db2.gz WGWZBFVLFNMPCK-DCAQKATOSA-N 1 1 313.354 -1.716 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001252413705 780470542 /nfs/dbraw/zinc/47/05/42/780470542.db2.gz GSYHHAZWWUGKHL-WOPDTQHZSA-N 1 1 308.338 -1.100 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001252413705 780470545 /nfs/dbraw/zinc/47/05/45/780470545.db2.gz GSYHHAZWWUGKHL-WOPDTQHZSA-N 1 1 308.338 -1.100 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252421976 780471353 /nfs/dbraw/zinc/47/13/53/780471353.db2.gz MYXWOSLTLLFGDE-TZMCWYRMSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252421976 780471358 /nfs/dbraw/zinc/47/13/58/780471358.db2.gz MYXWOSLTLLFGDE-TZMCWYRMSA-N 1 1 316.354 -1.530 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)C(=O)OC ZINC001252440563 780471660 /nfs/dbraw/zinc/47/16/60/780471660.db2.gz AUBIOOLFJUWVMX-MRVPVSSYSA-N 1 1 319.314 -3.095 20 0 DAADMO COC(=O)[C@H](O)CN1CC[NH+](CCN2CCOCC2)CC1 ZINC001252419963 780472007 /nfs/dbraw/zinc/47/20/07/780472007.db2.gz FWWUTGWUQQMCOF-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)C1CCN(S(C)(=O)=O)CC1 ZINC001252900194 780472828 /nfs/dbraw/zinc/47/28/28/780472828.db2.gz BBRINXDWGMTVSY-UHFFFAOYSA-N 1 1 318.399 -1.106 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC001252665046 780473762 /nfs/dbraw/zinc/47/37/62/780473762.db2.gz AOJILYIFYSWUPP-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC001252665046 780473768 /nfs/dbraw/zinc/47/37/68/780473768.db2.gz AOJILYIFYSWUPP-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC001252665046 780473774 /nfs/dbraw/zinc/47/37/74/780473774.db2.gz AOJILYIFYSWUPP-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@H](O)COC(C)C)C[C@H]21 ZINC001252676763 780473947 /nfs/dbraw/zinc/47/39/47/780473947.db2.gz PKPBILIYJSNOPY-MJBXVCDLSA-N 1 1 315.414 -1.097 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]21 ZINC001252676762 780473964 /nfs/dbraw/zinc/47/39/64/780473964.db2.gz PKPBILIYJSNOPY-MCIONIFRSA-N 1 1 315.414 -1.097 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001253025913 780474581 /nfs/dbraw/zinc/47/45/81/780474581.db2.gz AWQNSPNXNBCNCL-WOPDTQHZSA-N 1 1 314.386 -1.679 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC001253369152 780474681 /nfs/dbraw/zinc/47/46/81/780474681.db2.gz OHGFHBDTYKJLES-UHFFFAOYSA-N 1 1 322.369 -1.222 20 0 DAADMO NC(=O)CNC(=O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950863 780474930 /nfs/dbraw/zinc/47/49/30/780474930.db2.gz HYWGJJQJUOIAQI-MRXNPFEDSA-N 1 1 320.393 -1.186 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001253025912 780475314 /nfs/dbraw/zinc/47/53/14/780475314.db2.gz AWQNSPNXNBCNCL-SRVKXCTJSA-N 1 1 314.386 -1.679 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001278751246 780478921 /nfs/dbraw/zinc/47/89/21/780478921.db2.gz YCKUWDNHHCRNFU-NSHDSACASA-N 1 1 312.374 -1.750 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001254333500 780484910 /nfs/dbraw/zinc/48/49/10/780484910.db2.gz QXUHKNPQYUCACS-TUAOUCFPSA-N 1 1 317.411 -1.696 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001254333500 780484918 /nfs/dbraw/zinc/48/49/18/780484918.db2.gz QXUHKNPQYUCACS-TUAOUCFPSA-N 1 1 317.411 -1.696 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCN(C)C1=O ZINC001278798234 780488569 /nfs/dbraw/zinc/48/85/69/780488569.db2.gz NSSPAEFYZSKGAW-NEPJUHHUSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C(N)=O)n1C1CC1 ZINC001278798858 780488646 /nfs/dbraw/zinc/48/86/46/780488646.db2.gz VVSAYDJTVZTOJS-JTQLQIEISA-N 1 1 310.358 -1.684 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCN(C)C1=O ZINC001278798243 780488779 /nfs/dbraw/zinc/48/87/79/780488779.db2.gz NSSPAEFYZSKGAW-RYUDHWBXSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278798247 780489469 /nfs/dbraw/zinc/48/94/69/780489469.db2.gz NSSPAEFYZSKGAW-VXGBXAGGSA-N 1 1 324.385 -1.798 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800444 780489948 /nfs/dbraw/zinc/48/99/48/780489948.db2.gz NRIHKAAUXBLKLR-CQSZACIVSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800444 780489951 /nfs/dbraw/zinc/48/99/51/780489951.db2.gz NRIHKAAUXBLKLR-CQSZACIVSA-N 1 1 314.386 -1.671 20 0 DAADMO COCCC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001278799506 780490262 /nfs/dbraw/zinc/49/02/62/780490262.db2.gz COVXRWIERAPOOZ-AWEZNQCLSA-N 1 1 310.354 -1.027 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001278799721 780490356 /nfs/dbraw/zinc/49/03/56/780490356.db2.gz FSPVKOBZOGCSOB-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001278799721 780490360 /nfs/dbraw/zinc/49/03/60/780490360.db2.gz FSPVKOBZOGCSOB-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800440 780490961 /nfs/dbraw/zinc/49/09/61/780490961.db2.gz NRIHKAAUXBLKLR-AWEZNQCLSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800440 780490965 /nfs/dbraw/zinc/49/09/65/780490965.db2.gz NRIHKAAUXBLKLR-AWEZNQCLSA-N 1 1 314.386 -1.671 20 0 DAADMO COCCCC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278800751 780491084 /nfs/dbraw/zinc/49/10/84/780491084.db2.gz PRPKPQFJCSHPJP-CYBMUJFWSA-N 1 1 312.374 -1.197 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001278799720 780491101 /nfs/dbraw/zinc/49/11/01/780491101.db2.gz FSPVKOBZOGCSOB-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001278799720 780491105 /nfs/dbraw/zinc/49/11/05/780491105.db2.gz FSPVKOBZOGCSOB-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278799739 780491173 /nfs/dbraw/zinc/49/11/73/780491173.db2.gz FUYWMALIILLFOG-YMTOWFKASA-N 1 1 314.386 -1.672 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001278799568 780491183 /nfs/dbraw/zinc/49/11/83/780491183.db2.gz FBIVWBYMIXILIG-AWEZNQCLSA-N 1 1 308.338 -1.372 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001278799568 780491187 /nfs/dbraw/zinc/49/11/87/780491187.db2.gz FBIVWBYMIXILIG-AWEZNQCLSA-N 1 1 308.338 -1.372 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)CN[C@H]1CC2CC[NH+](CC2)C1 ZINC001254850505 780492069 /nfs/dbraw/zinc/49/20/69/780492069.db2.gz GXWAXBKLLOBXRH-NSHDSACASA-N 1 1 311.386 -2.222 20 0 DAADMO C[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)CCOC1 ZINC001278816616 780492122 /nfs/dbraw/zinc/49/21/22/780492122.db2.gz UMOWVJUCLGPJKW-LSDHHAIUSA-N 1 1 316.398 -1.025 20 0 DAADMO OC[C@H]1O[C@@H](O)[C@H](N[C@@H]2CC3CC[NH+](CC3)C2)[C@@H](O)[C@@H]1O ZINC001254841824 780492550 /nfs/dbraw/zinc/49/25/50/780492550.db2.gz BCVKDOHDAJCZBR-FAYOZSNISA-N 1 1 302.371 -2.140 20 0 DAADMO C[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)CCOC1 ZINC001278816615 780492788 /nfs/dbraw/zinc/49/27/88/780492788.db2.gz UMOWVJUCLGPJKW-HUUCEWRRSA-N 1 1 316.398 -1.025 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001278844369 780496691 /nfs/dbraw/zinc/49/66/91/780496691.db2.gz FVBWXKDHUBZXAN-MWLCHTKSSA-N 1 1 324.337 -1.364 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001278844927 780496830 /nfs/dbraw/zinc/49/68/30/780496830.db2.gz PEYSERQHMQRUPY-CHWSQXEVSA-N 1 1 324.381 -1.051 20 0 DAADMO COCCCCN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278850725 780496951 /nfs/dbraw/zinc/49/69/51/780496951.db2.gz IGILOCCNUXBKCM-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO COCCCCN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278850725 780496956 /nfs/dbraw/zinc/49/69/56/780496956.db2.gz IGILOCCNUXBKCM-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001255596677 780501031 /nfs/dbraw/zinc/50/10/31/780501031.db2.gz UUDANYXUTISXHR-BJDJZHNGSA-N 1 1 312.418 -1.012 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(CCOCCO)C1 ZINC001278883703 780503194 /nfs/dbraw/zinc/50/31/94/780503194.db2.gz PYMVSVKWXXSYOB-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278889355 780503784 /nfs/dbraw/zinc/50/37/84/780503784.db2.gz SISYXGJGAIKHOE-WDEREUQCSA-N 1 1 315.370 -1.563 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]2NCN[C@H]21 ZINC001255978284 780504915 /nfs/dbraw/zinc/50/49/15/780504915.db2.gz CAJLWHVUPQMLIV-IVZWLZJFSA-N 1 1 322.335 -1.468 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001278900599 780506329 /nfs/dbraw/zinc/50/63/29/780506329.db2.gz YBKVNSNUWDZVNJ-JTQLQIEISA-N 1 1 312.370 -1.164 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001278900599 780506335 /nfs/dbraw/zinc/50/63/35/780506335.db2.gz YBKVNSNUWDZVNJ-JTQLQIEISA-N 1 1 312.370 -1.164 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C)CC1 ZINC001256199670 780508220 /nfs/dbraw/zinc/50/82/20/780508220.db2.gz GNNHLBPGSNLFEB-UHFFFAOYSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ncnn1C ZINC001256813325 780510808 /nfs/dbraw/zinc/51/08/08/780510808.db2.gz JNSOETPYYCNFRT-NSHDSACASA-N 1 1 324.385 -1.169 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCCO2)CC1 ZINC001257097516 780511179 /nfs/dbraw/zinc/51/11/79/780511179.db2.gz XKRCUXOIAUIRHQ-UHFFFAOYSA-N 1 1 312.370 -1.133 20 0 DAADMO CS(=O)(=O)N1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001257230864 780512821 /nfs/dbraw/zinc/51/28/21/780512821.db2.gz JVTCIPXAYJFGSH-VWYCJHECSA-N 1 1 304.420 -2.597 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1C[N@H+](C)CCO1 ZINC001257292857 780513390 /nfs/dbraw/zinc/51/33/90/780513390.db2.gz WTMMSVHJRYUTLU-SRVKXCTJSA-N 1 1 315.370 -1.647 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC001257292857 780513394 /nfs/dbraw/zinc/51/33/94/780513394.db2.gz WTMMSVHJRYUTLU-SRVKXCTJSA-N 1 1 315.370 -1.647 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001257383666 780514156 /nfs/dbraw/zinc/51/41/56/780514156.db2.gz WHFJQIOKWPNZLJ-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001257383666 780514159 /nfs/dbraw/zinc/51/41/59/780514159.db2.gz WHFJQIOKWPNZLJ-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO NC(=O)c1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)on1 ZINC001257472542 780514309 /nfs/dbraw/zinc/51/43/09/780514309.db2.gz LGAQDEJLMMURMI-MRVPVSSYSA-N 1 1 321.337 -1.257 20 0 DAADMO COC(=O)NC1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001257473282 780514807 /nfs/dbraw/zinc/51/48/07/780514807.db2.gz UKUIJAPRHZTDBX-SECBINFHSA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001257582024 780515710 /nfs/dbraw/zinc/51/57/10/780515710.db2.gz WXUWQLIFQCNMDU-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC001257791941 780515775 /nfs/dbraw/zinc/51/57/75/780515775.db2.gz NVYMWDONQCYGNE-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(NC(=O)OC)C1 ZINC001257604875 780516323 /nfs/dbraw/zinc/51/63/23/780516323.db2.gz SISKCNABSWSMIU-UHFFFAOYSA-N 1 1 316.358 -1.752 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNC(=O)CC1 ZINC001257596130 780516378 /nfs/dbraw/zinc/51/63/78/780516378.db2.gz PLSDMTCUMSANHW-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001258210973 780518749 /nfs/dbraw/zinc/51/87/49/780518749.db2.gz IOMFJYJXESDHKJ-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC(C(C)(C)O)C1 ZINC001258382369 780521537 /nfs/dbraw/zinc/52/15/37/780521537.db2.gz HRJCBZYTRZKMQA-LBPRGKRZSA-N 1 1 312.414 -1.422 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NC)CC1 ZINC001258348295 780521814 /nfs/dbraw/zinc/52/18/14/780521814.db2.gz UQBDPXIGRUKUDH-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001299566273 780525270 /nfs/dbraw/zinc/52/52/70/780525270.db2.gz YMEZTVZJYHZAQB-NWDGAFQWSA-N 1 1 324.381 -1.160 20 0 DAADMO CS(=O)(=O)CS(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC001260595151 780532755 /nfs/dbraw/zinc/53/27/55/780532755.db2.gz PLXHSROITYPOQU-UHFFFAOYSA-N 1 1 314.429 -1.388 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001261131570 780536201 /nfs/dbraw/zinc/53/62/01/780536201.db2.gz LFDBSXGRNVXDRD-GHMZBOCLSA-N 1 1 310.354 -1.452 20 0 DAADMO C[C@H](CNC(=O)C(=O)Nc1cnnn1C)C[NH+]1CCOCC1 ZINC001261203356 780539351 /nfs/dbraw/zinc/53/93/51/780539351.db2.gz XLWIAQGNQLBTHX-SNVBAGLBSA-N 1 1 310.358 -1.162 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC001261239807 780540259 /nfs/dbraw/zinc/54/02/59/780540259.db2.gz AVHLROQUPNJJRZ-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC001261239807 780540266 /nfs/dbraw/zinc/54/02/66/780540266.db2.gz AVHLROQUPNJJRZ-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(O)C2)C[C@H](C)[N@H+]1CCO ZINC001261328694 780542015 /nfs/dbraw/zinc/54/20/15/780542015.db2.gz NKTILWSMRCVAKG-TYNCELHUSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(O)C2)C[C@H](C)[N@@H+]1CCO ZINC001261328694 780542018 /nfs/dbraw/zinc/54/20/18/780542018.db2.gz NKTILWSMRCVAKG-TYNCELHUSA-N 1 1 313.398 -1.117 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001281069194 780546548 /nfs/dbraw/zinc/54/65/48/780546548.db2.gz OITFRUOYTTWNQY-GHMZBOCLSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1nnn(C)n1 ZINC001261536237 780547346 /nfs/dbraw/zinc/54/73/46/780547346.db2.gz LKYOUXMLIOBDOG-UHFFFAOYSA-N 1 1 311.390 -1.080 20 0 DAADMO COc1cnc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC001261548120 780548235 /nfs/dbraw/zinc/54/82/35/780548235.db2.gz FDFIFBLUWGDFJS-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@H]1CCO ZINC001261557817 780548744 /nfs/dbraw/zinc/54/87/44/780548744.db2.gz PIJSOTDMSWMEMB-RWMBFGLXSA-N 1 1 311.382 -1.363 20 0 DAADMO Cc1noc([C@@H](C)NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001261561143 780548817 /nfs/dbraw/zinc/54/88/17/780548817.db2.gz IUDLNSCMEFLQJG-DVVUODLYSA-N 1 1 323.353 -1.167 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@](F)(CO)C1 ZINC001261556253 780548846 /nfs/dbraw/zinc/54/88/46/780548846.db2.gz BHNAZPDPFQRHJA-WDMOLILDSA-N 1 1 315.345 -1.803 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554716 780549147 /nfs/dbraw/zinc/54/91/47/780549147.db2.gz LILZVROAGFZQMS-FVCCEPFGSA-N 1 1 310.398 -1.480 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC001261623773 780550999 /nfs/dbraw/zinc/55/09/99/780550999.db2.gz GSWQTDQWNPROBY-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001261623772 780551299 /nfs/dbraw/zinc/55/12/99/780551299.db2.gz GSWQTDQWNPROBY-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001261692886 780554345 /nfs/dbraw/zinc/55/43/45/780554345.db2.gz ZMIDTLLURUVACF-UHFFFAOYSA-N 1 1 312.374 -1.532 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCOCCF)[C@@H]1C[N@H+](C)CCO1 ZINC001261734127 780555630 /nfs/dbraw/zinc/55/56/30/780555630.db2.gz PZHNCRSUOXILOH-QWRGUYRKSA-N 1 1 305.350 -1.076 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCOCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC001261734127 780555636 /nfs/dbraw/zinc/55/56/36/780555636.db2.gz PZHNCRSUOXILOH-QWRGUYRKSA-N 1 1 305.350 -1.076 20 0 DAADMO CN(C)c1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ncn1 ZINC001261827496 780561261 /nfs/dbraw/zinc/56/12/61/780561261.db2.gz BIIALDFHSPDMBW-SNVBAGLBSA-N 1 1 322.369 -1.336 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC(O)(C(=O)OC)C1 ZINC001261946051 780564503 /nfs/dbraw/zinc/56/45/03/780564503.db2.gz OHTKZMLJWBWYNE-UHFFFAOYSA-N 1 1 315.370 -1.419 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)CC1(C)C ZINC001262118098 780566731 /nfs/dbraw/zinc/56/67/31/780566731.db2.gz IKPOLWQVYOIHCL-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)CC1(C)C ZINC001262118098 780566736 /nfs/dbraw/zinc/56/67/36/780566736.db2.gz IKPOLWQVYOIHCL-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001262168263 780567975 /nfs/dbraw/zinc/56/79/75/780567975.db2.gz RBNLOVQTQVOQEI-UHFFFAOYSA-N 1 1 323.397 -1.320 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001262151461 780568420 /nfs/dbraw/zinc/56/84/20/780568420.db2.gz KPKCZBBQGVWCMS-ZJUUUORDSA-N 1 1 318.349 -2.024 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001262293294 780569754 /nfs/dbraw/zinc/56/97/54/780569754.db2.gz UGBUFFZWBNCPHL-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001262293294 780569756 /nfs/dbraw/zinc/56/97/56/780569756.db2.gz UGBUFFZWBNCPHL-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O ZINC001262300049 780570355 /nfs/dbraw/zinc/57/03/55/780570355.db2.gz BSHRBUZKQXJUHE-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O ZINC001262300049 780570361 /nfs/dbraw/zinc/57/03/61/780570361.db2.gz BSHRBUZKQXJUHE-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO Cn1nnnc1CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001262378677 780572421 /nfs/dbraw/zinc/57/24/21/780572421.db2.gz IHUWRPAHBJABIZ-WDEREUQCSA-N 1 1 309.374 -1.397 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001262534241 780573109 /nfs/dbraw/zinc/57/31/09/780573109.db2.gz ZTOSWPWIUCQJEO-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001263816735 780579522 /nfs/dbraw/zinc/57/95/22/780579522.db2.gz HQHSBWDGBABOSF-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001299741223 780579568 /nfs/dbraw/zinc/57/95/68/780579568.db2.gz ADRWRUCLSMGMTK-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO Cn1cc(CC[N@@H+](CCO)[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001264078906 780581612 /nfs/dbraw/zinc/58/16/12/780581612.db2.gz UGZFAPVGUBXDFS-ZDUSSCGKSA-N 1 1 323.397 -1.267 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)n1C ZINC001264111338 780581670 /nfs/dbraw/zinc/58/16/70/780581670.db2.gz GUFUUZPSYLNBMB-UHFFFAOYSA-N 1 1 314.386 -1.264 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCNS(C)(=O)=O ZINC001264049382 780581965 /nfs/dbraw/zinc/58/19/65/780581965.db2.gz XBMYGUNICOOSBT-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001264105884 780582306 /nfs/dbraw/zinc/58/23/06/780582306.db2.gz DWDDTWWXJKTISW-NSHDSACASA-N 1 1 314.386 -1.643 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001264105884 780582311 /nfs/dbraw/zinc/58/23/11/780582311.db2.gz DWDDTWWXJKTISW-NSHDSACASA-N 1 1 314.386 -1.643 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(=O)NCC(F)F ZINC001264365525 780582767 /nfs/dbraw/zinc/58/27/67/780582767.db2.gz ZKDXWHNIIGQREY-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(=O)NCC(F)F ZINC001264365525 780582774 /nfs/dbraw/zinc/58/27/74/780582774.db2.gz ZKDXWHNIIGQREY-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)[C@@H]1C ZINC001264144860 780583366 /nfs/dbraw/zinc/58/33/66/780583366.db2.gz YFSUFYIBCSQSSV-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)c1ccc(=O)n(C)n1 ZINC001264378418 780583980 /nfs/dbraw/zinc/58/39/80/780583980.db2.gz JEJRFLFRSYSXSU-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001264375157 780584775 /nfs/dbraw/zinc/58/47/75/780584775.db2.gz VQDKYSDHSSUVCY-NSHDSACASA-N 1 1 310.354 -1.548 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001264604166 780586384 /nfs/dbraw/zinc/58/63/84/780586384.db2.gz UCEPZYKHDMMAGX-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CC(=O)NC(=O)NC ZINC001264604166 780586388 /nfs/dbraw/zinc/58/63/88/780586388.db2.gz UCEPZYKHDMMAGX-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)CCOCCN(C)C(=O)C(N)=O ZINC001264666639 780587605 /nfs/dbraw/zinc/58/76/05/780587605.db2.gz XRJPKDFNEBZAIA-UHFFFAOYSA-N 1 1 302.375 -1.597 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)CCOCCN(C)C(=O)C(N)=O ZINC001264666639 780587609 /nfs/dbraw/zinc/58/76/09/780587609.db2.gz XRJPKDFNEBZAIA-UHFFFAOYSA-N 1 1 302.375 -1.597 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001264666290 780587654 /nfs/dbraw/zinc/58/76/54/780587654.db2.gz LAGKXGPPRKFCKG-UHFFFAOYSA-N 1 1 313.358 -1.369 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001264666290 780587657 /nfs/dbraw/zinc/58/76/57/780587657.db2.gz LAGKXGPPRKFCKG-UHFFFAOYSA-N 1 1 313.358 -1.369 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001264871794 780587699 /nfs/dbraw/zinc/58/76/99/780587699.db2.gz MKKDDYKSOAFAAF-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001264695011 780587841 /nfs/dbraw/zinc/58/78/41/780587841.db2.gz UKXZTZCZHJJECM-MXWKQRLJSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001264695011 780587844 /nfs/dbraw/zinc/58/78/44/780587844.db2.gz UKXZTZCZHJJECM-MXWKQRLJSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CCOCCO ZINC001264694641 780588046 /nfs/dbraw/zinc/58/80/46/780588046.db2.gz IHFPLRHRAPXEKS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001264970511 780588189 /nfs/dbraw/zinc/58/81/89/780588189.db2.gz URQJUWGOUILAJW-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001264970511 780588194 /nfs/dbraw/zinc/58/81/94/780588194.db2.gz URQJUWGOUILAJW-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCNC1=O ZINC001264666251 780588430 /nfs/dbraw/zinc/58/84/30/780588430.db2.gz JPABIDNAJWQJEE-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CCOCC[N@@H+](C)CCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001264667840 780588631 /nfs/dbraw/zinc/58/86/31/780588631.db2.gz QGIUMBVLHXZPDG-JTQLQIEISA-N 1 1 318.349 -1.039 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001264730878 780588777 /nfs/dbraw/zinc/58/87/77/780588777.db2.gz UHECFIGPZOPWLW-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001264730878 780588782 /nfs/dbraw/zinc/58/87/82/780588782.db2.gz UHECFIGPZOPWLW-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[N@H+](CCCNC(=O)[C@@H]1COC(=O)N1)CCCS(C)(=O)=O ZINC001264981962 780589033 /nfs/dbraw/zinc/58/90/33/780589033.db2.gz XMMFXCMUBXFXLE-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1COC(=O)N1)CCCS(C)(=O)=O ZINC001264981962 780589036 /nfs/dbraw/zinc/58/90/36/780589036.db2.gz XMMFXCMUBXFXLE-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCNC(=O)C(=O)NCC(F)F ZINC001265006072 780590227 /nfs/dbraw/zinc/59/02/27/780590227.db2.gz UZJYLUNOTDYBQO-UHFFFAOYSA-N 1 1 308.329 -1.058 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001265021165 780590536 /nfs/dbraw/zinc/59/05/36/780590536.db2.gz GZTCDOFFGJOBEX-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001264982056 780590542 /nfs/dbraw/zinc/59/05/42/780590542.db2.gz AVZPNSRQAIAAFJ-QMMMGPOBSA-N 1 1 315.330 -2.012 20 0 DAADMO Cn1cnc(C(=O)NCCC[N@@H+](C)CC(=O)N2CCOCC2)n1 ZINC001264982372 780590640 /nfs/dbraw/zinc/59/06/40/780590640.db2.gz OJNVAXGBRNQIDO-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CCCNC(=O)C(N)=O ZINC001265031176 780590740 /nfs/dbraw/zinc/59/07/40/780590740.db2.gz ZUZPWESHWMNZQX-UHFFFAOYSA-N 1 1 310.358 -1.112 20 0 DAADMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265031176 780590746 /nfs/dbraw/zinc/59/07/46/780590746.db2.gz ZUZPWESHWMNZQX-UHFFFAOYSA-N 1 1 310.358 -1.112 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001265229096 780594139 /nfs/dbraw/zinc/59/41/39/780594139.db2.gz PSSTXTRICSXGDZ-NSHDSACASA-N 1 1 310.354 -1.500 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](CCN1C(=O)CCC1=O)C1CC1 ZINC001265174995 780594564 /nfs/dbraw/zinc/59/45/64/780594564.db2.gz QIPZBPJKPXEHDE-UHFFFAOYSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001265208959 780594776 /nfs/dbraw/zinc/59/47/76/780594776.db2.gz YVKDDELOTPWLAF-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCC[NH+]1CCN([C@H](C)C(N)=O)CC1 ZINC001265247196 780595127 /nfs/dbraw/zinc/59/51/27/780595127.db2.gz FDKVVFXFYHILQD-LLVKDONJSA-N 1 1 323.401 -1.276 20 0 DAADMO Cc1noc(CN2CC[NH+](CCCNC(=O)CC(N)=O)CC2)n1 ZINC001265240182 780595131 /nfs/dbraw/zinc/59/51/31/780595131.db2.gz JGHQYDHZKJBYDS-UHFFFAOYSA-N 1 1 324.385 -1.123 20 0 DAADMO COCCN1CC[NH+](CCCNC(=O)CNC(C)=O)CC1 ZINC001265237248 780596117 /nfs/dbraw/zinc/59/61/17/780596117.db2.gz UEBDXKHGDWQAIJ-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001265289885 780597847 /nfs/dbraw/zinc/59/78/47/780597847.db2.gz FANIKGUSAWMNRL-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001265309769 780599398 /nfs/dbraw/zinc/59/93/98/780599398.db2.gz AIWMEYIJJAHENJ-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001265309769 780599407 /nfs/dbraw/zinc/59/94/07/780599407.db2.gz AIWMEYIJJAHENJ-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001265305805 780599897 /nfs/dbraw/zinc/59/98/97/780599897.db2.gz DCTWPILMZHNBJT-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265531254 780603446 /nfs/dbraw/zinc/60/34/46/780603446.db2.gz DQFKDYVUQAVGKQ-GRYCIOLGSA-N 1 1 318.443 -1.133 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265659749 780605715 /nfs/dbraw/zinc/60/57/15/780605715.db2.gz GTILVCVBMWUOMR-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265659749 780605722 /nfs/dbraw/zinc/60/57/22/780605722.db2.gz GTILVCVBMWUOMR-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265659751 780605818 /nfs/dbraw/zinc/60/58/18/780605818.db2.gz GTILVCVBMWUOMR-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265659751 780605821 /nfs/dbraw/zinc/60/58/21/780605821.db2.gz GTILVCVBMWUOMR-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265659750 780605998 /nfs/dbraw/zinc/60/59/98/780605998.db2.gz GTILVCVBMWUOMR-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265659750 780606004 /nfs/dbraw/zinc/60/60/04/780606004.db2.gz GTILVCVBMWUOMR-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001265763091 780607020 /nfs/dbraw/zinc/60/70/20/780607020.db2.gz HQDCNFZNSQWXFU-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785798 780608114 /nfs/dbraw/zinc/60/81/14/780608114.db2.gz HNOMRGZDOGMYHH-IUCAKERBSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001265794712 780608244 /nfs/dbraw/zinc/60/82/44/780608244.db2.gz VPIIQJPLOQCLIR-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO CC(=O)N1CC(C(=O)NCCC[N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001265833935 780608258 /nfs/dbraw/zinc/60/82/58/780608258.db2.gz AIIBYJMRKFKELG-LBPRGKRZSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001265857893 780609702 /nfs/dbraw/zinc/60/97/02/780609702.db2.gz ODKBRYWRPXSQDP-UHFFFAOYSA-N 1 1 314.390 -1.621 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cn(C)nn1 ZINC001265836943 780610060 /nfs/dbraw/zinc/61/00/60/780610060.db2.gz BCFOMTZJUILSJA-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1COC(=O)N1)CCN1CCNC1=O ZINC001265837774 780610569 /nfs/dbraw/zinc/61/05/69/780610569.db2.gz QWINQGUESQNUOC-JTQLQIEISA-N 1 1 313.358 -1.442 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001265857673 780610797 /nfs/dbraw/zinc/61/07/97/780610797.db2.gz IKTSGRUXQXJACS-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001265893569 780612999 /nfs/dbraw/zinc/61/29/99/780612999.db2.gz LHUAUWWFLWZYRZ-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)CC(N)=O ZINC001265902079 780613059 /nfs/dbraw/zinc/61/30/59/780613059.db2.gz IOCXGDDSPFQIKE-SECBINFHSA-N 1 1 315.374 -1.608 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCNC1=O)C[C@H](O)Cn1cccn1 ZINC001265902134 780613140 /nfs/dbraw/zinc/61/31/40/780613140.db2.gz JIMHQFRKPQGVGI-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001265902590 780613175 /nfs/dbraw/zinc/61/31/75/780613175.db2.gz SFCHJQFRPZFVCK-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001265922949 780613916 /nfs/dbraw/zinc/61/39/16/780613916.db2.gz KMGQBDDDOXLJKP-UTLUCORTSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cnn(C)n1 ZINC001265938591 780614727 /nfs/dbraw/zinc/61/47/27/780614727.db2.gz CWLMJMBNRKUTIM-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ccc2n[nH]c(=O)n2c1)CC(N)=O ZINC001265939184 780614991 /nfs/dbraw/zinc/61/49/91/780614991.db2.gz ZYJNHWLGQQHBOC-UHFFFAOYSA-N 1 1 306.326 -1.028 20 0 DAADMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265915131 780615055 /nfs/dbraw/zinc/61/50/55/780615055.db2.gz UUZYKIVEEOVFAW-ZETCQYMHSA-N 1 1 312.292 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001265985636 780615696 /nfs/dbraw/zinc/61/56/96/780615696.db2.gz JQQDMPIJQJYPAH-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1ccnc1 ZINC001265983898 780615837 /nfs/dbraw/zinc/61/58/37/780615837.db2.gz GITNKDVNWKXMMM-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN(C)C(C)=O)CC(=O)NC(N)=O ZINC001266022364 780617161 /nfs/dbraw/zinc/61/71/61/780617161.db2.gz KIUWDPYYOIRJGR-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCC(=O)NC1=O ZINC001266028408 780617370 /nfs/dbraw/zinc/61/73/70/780617370.db2.gz SADKAACMIVYCMY-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cc1cc[nH]n1)CC(=O)NC(N)=O ZINC001266030662 780617533 /nfs/dbraw/zinc/61/75/33/780617533.db2.gz YSKQDLADVUUSBF-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCCNC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCNC1=O ZINC001266092299 780618285 /nfs/dbraw/zinc/61/82/85/780618285.db2.gz PRXMQKDAOXWXQK-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cn1ncnn1)[C@H]1CCN(C)C1=O ZINC001266042749 780618739 /nfs/dbraw/zinc/61/87/39/780618739.db2.gz NXMZWPLUGPXBAX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001266119804 780618816 /nfs/dbraw/zinc/61/88/16/780618816.db2.gz MVLHZOBOYRQNIF-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C)C1=O ZINC001266077187 780618931 /nfs/dbraw/zinc/61/89/31/780618931.db2.gz BWVICYNSKIOMRP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1ncnn1 ZINC001266217314 780619819 /nfs/dbraw/zinc/61/98/19/780619819.db2.gz YOHBQWZCGRITMF-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001266178215 780619855 /nfs/dbraw/zinc/61/98/55/780619855.db2.gz AJAIAQKWUFBJFH-MRVPVSSYSA-N 1 1 323.357 -1.753 20 0 DAADMO C[C@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001266182890 780619973 /nfs/dbraw/zinc/61/99/73/780619973.db2.gz RGBHRSHBIGTAOE-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]C(C(N)=O)C(N)=O)C1 ZINC000705082095 780620257 /nfs/dbraw/zinc/62/02/57/780620257.db2.gz KEFQNMJCHFYLGH-CYBMUJFWSA-N 1 1 316.358 -1.713 20 0 DAADMO C[C@@H](CCNC(=O)Cc1nnc[nH]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266182505 780620441 /nfs/dbraw/zinc/62/04/41/780620441.db2.gz JNQUVJRISPBLAU-DTWKUNHWSA-N 1 1 308.342 -1.363 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC[C@H]1CCC[N@@H+]1CCO ZINC001266229020 780620486 /nfs/dbraw/zinc/62/04/86/780620486.db2.gz QJROGTQAWVRAMV-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001279357813 780621057 /nfs/dbraw/zinc/62/10/57/780621057.db2.gz XVWJRJPLSGCAHV-TXEJJXNPSA-N 1 1 310.398 -1.009 20 0 DAADMO CCNC(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001279480079 780623302 /nfs/dbraw/zinc/62/33/02/780623302.db2.gz OGMHOKGSOSXJHI-RISCZKNCSA-N 1 1 301.387 -1.164 20 0 DAADMO CN1CCN(CC(=O)NCC2=CC[N@H+](CC(N)=O)CC2)CC1=O ZINC001279591018 780624169 /nfs/dbraw/zinc/62/41/69/780624169.db2.gz GQTKNTBRJBPQGC-UHFFFAOYSA-N 1 1 323.397 -2.006 20 0 DAADMO CN1CCN(CC(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)CC1=O ZINC001279591018 780624174 /nfs/dbraw/zinc/62/41/74/780624174.db2.gz GQTKNTBRJBPQGC-UHFFFAOYSA-N 1 1 323.397 -2.006 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001279607025 780624244 /nfs/dbraw/zinc/62/42/44/780624244.db2.gz GMFWVEJYJIKWDW-UHFFFAOYSA-N 1 1 306.388 -2.219 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC001279544497 780624348 /nfs/dbraw/zinc/62/43/48/780624348.db2.gz KAHAIJVPGNJJIA-UHFFFAOYSA-N 1 1 321.341 -1.628 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC001279544497 780624352 /nfs/dbraw/zinc/62/43/52/780624352.db2.gz KAHAIJVPGNJJIA-UHFFFAOYSA-N 1 1 321.341 -1.628 20 0 DAADMO CNC(=O)NCCC(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001279544158 780624363 /nfs/dbraw/zinc/62/43/63/780624363.db2.gz FKMGIJNUWCVSRL-LBPRGKRZSA-N 1 1 323.397 -1.058 20 0 DAADMO CNC(=O)NCCC(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001279544158 780624369 /nfs/dbraw/zinc/62/43/69/780624369.db2.gz FKMGIJNUWCVSRL-LBPRGKRZSA-N 1 1 323.397 -1.058 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)Cn2cnnn2)nc1 ZINC001279655300 780624382 /nfs/dbraw/zinc/62/43/82/780624382.db2.gz WCFSBXIWEPJHBC-UHFFFAOYSA-N 1 1 320.357 -1.618 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001279621535 780624503 /nfs/dbraw/zinc/62/45/03/780624503.db2.gz HEIPHOSWNKARJK-GFCCVEGCSA-N 1 1 323.397 -1.059 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001279621535 780624507 /nfs/dbraw/zinc/62/45/07/780624507.db2.gz HEIPHOSWNKARJK-GFCCVEGCSA-N 1 1 323.397 -1.059 20 0 DAADMO C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1nnnn1C)n1cccn1 ZINC001279660800 780624653 /nfs/dbraw/zinc/62/46/53/780624653.db2.gz QLYNFCSZOMUUEY-NSHDSACASA-N 1 1 322.373 -1.422 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)CCn2cnccc2=O)CC1 ZINC001279660616 780624832 /nfs/dbraw/zinc/62/48/32/780624832.db2.gz FHFMCKJZTCZZOD-UHFFFAOYSA-N 1 1 319.365 -1.133 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)CCn2cnccc2=O)CC1 ZINC001279660616 780624836 /nfs/dbraw/zinc/62/48/36/780624836.db2.gz FHFMCKJZTCZZOD-UHFFFAOYSA-N 1 1 319.365 -1.133 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CC[NH2+]Cc2cnns2)n1 ZINC001279705334 780625541 /nfs/dbraw/zinc/62/55/41/780625541.db2.gz OBCZUNBUJPRDSM-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCCNC2=O)n1 ZINC001279738850 780625814 /nfs/dbraw/zinc/62/58/14/780625814.db2.gz XOLBLBOLWPGSPL-LBPRGKRZSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)Cc1ccoc1 ZINC001279695958 780625948 /nfs/dbraw/zinc/62/59/48/780625948.db2.gz XXDDWUNTTJABMZ-UHFFFAOYSA-N 1 1 308.342 -1.044 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)C[C@H]2CCNC2=O)n1 ZINC001279731289 780626173 /nfs/dbraw/zinc/62/61/73/780626173.db2.gz PGBMXIQVVMCWPV-GFCCVEGCSA-N 1 1 323.397 -1.143 20 0 DAADMO Cc1ccnc(C[NH2+]CCN(CCO)C(=O)c2nnn(C)n2)n1 ZINC001279800540 780627235 /nfs/dbraw/zinc/62/72/35/780627235.db2.gz GDIROVIHXRGVKS-UHFFFAOYSA-N 1 1 320.357 -1.467 20 0 DAADMO Cc1nnccc1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001279753568 780627778 /nfs/dbraw/zinc/62/77/78/780627778.db2.gz PLFXUVWNPYULCT-UHFFFAOYSA-N 1 1 320.357 -1.467 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCOC1 ZINC001279868415 780628663 /nfs/dbraw/zinc/62/86/63/780628663.db2.gz IESTXQPPRLTERP-CYBMUJFWSA-N 1 1 312.374 -1.453 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001280334396 780632239 /nfs/dbraw/zinc/63/22/39/780632239.db2.gz YRMBANQVBJBVFZ-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CCO)CN(C(=O)C(N)=O)C1 ZINC001280555972 780638238 /nfs/dbraw/zinc/63/82/38/780638238.db2.gz PNRIBRAPPUCTTF-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001280580861 780639138 /nfs/dbraw/zinc/63/91/38/780639138.db2.gz LNGRXPFTUYJHOH-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280712224 780643028 /nfs/dbraw/zinc/64/30/28/780643028.db2.gz XRZVSKAKVNRSGJ-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280712224 780643033 /nfs/dbraw/zinc/64/30/33/780643033.db2.gz XRZVSKAKVNRSGJ-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001280715514 780643061 /nfs/dbraw/zinc/64/30/61/780643061.db2.gz XUOLCUPSDZYFCI-NWDGAFQWSA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280712221 780643082 /nfs/dbraw/zinc/64/30/82/780643082.db2.gz XRZVSKAKVNRSGJ-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280712221 780643087 /nfs/dbraw/zinc/64/30/87/780643087.db2.gz XRZVSKAKVNRSGJ-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(=O)NC1CC1)C(=O)C(N)=O ZINC001280849332 780646402 /nfs/dbraw/zinc/64/64/02/780646402.db2.gz DFURNBPAVIOKNK-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001280884101 780646978 /nfs/dbraw/zinc/64/69/78/780646978.db2.gz WGDUDGSRIKATKV-SNVBAGLBSA-N 1 1 312.370 -1.211 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCCOCCNC(=O)C(N)=O ZINC001280945829 780649134 /nfs/dbraw/zinc/64/91/34/780649134.db2.gz XBKITAWVSWMYIW-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044482 780653569 /nfs/dbraw/zinc/65/35/69/780653569.db2.gz DPKIMWJBDKNDBM-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044482 780653574 /nfs/dbraw/zinc/65/35/74/780653574.db2.gz DPKIMWJBDKNDBM-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281093488 780659677 /nfs/dbraw/zinc/65/96/77/780659677.db2.gz FUNRNTZZCHTGNO-GHMZBOCLSA-N 1 1 314.386 -1.815 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281091128 780659797 /nfs/dbraw/zinc/65/97/97/780659797.db2.gz PORAGHWPYCRUET-UWVGGRQHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109750 780664255 /nfs/dbraw/zinc/66/42/55/780664255.db2.gz AEKVCIJBUGKFQA-VHSXEESVSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109750 780664260 /nfs/dbraw/zinc/66/42/60/780664260.db2.gz AEKVCIJBUGKFQA-VHSXEESVSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001281111485 780664415 /nfs/dbraw/zinc/66/44/15/780664415.db2.gz ISPHVPPJVTWAON-JTQLQIEISA-N 1 1 314.386 -1.815 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C2 ZINC001281111843 780664622 /nfs/dbraw/zinc/66/46/22/780664622.db2.gz JZNMXTFCALNQAM-NXEZZACHSA-N 1 1 323.353 -2.167 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001281259129 780674189 /nfs/dbraw/zinc/67/41/89/780674189.db2.gz DHUURRVWYUMNPY-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001281275049 780677251 /nfs/dbraw/zinc/67/72/51/780677251.db2.gz WQHXIJUFFAGVDA-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317875 780678324 /nfs/dbraw/zinc/67/83/24/780678324.db2.gz FPHXVGDFZHOTNE-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317875 780678330 /nfs/dbraw/zinc/67/83/30/780678330.db2.gz FPHXVGDFZHOTNE-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317876 780678545 /nfs/dbraw/zinc/67/85/45/780678545.db2.gz FPHXVGDFZHOTNE-UWVGGRQHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317876 780678551 /nfs/dbraw/zinc/67/85/51/780678551.db2.gz FPHXVGDFZHOTNE-UWVGGRQHSA-N 1 1 314.386 -1.551 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281626144 780686596 /nfs/dbraw/zinc/68/65/96/780686596.db2.gz AUGDXQPEOIUPFB-UHFFFAOYSA-N 1 1 324.385 -1.213 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001281649522 780687798 /nfs/dbraw/zinc/68/77/98/780687798.db2.gz YDNHCHVOUQQQBA-OUAUKWLOSA-N 1 1 312.370 -2.095 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001281876584 780695033 /nfs/dbraw/zinc/69/50/33/780695033.db2.gz ZNLKSUUWTQDFJS-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001281925860 780697681 /nfs/dbraw/zinc/69/76/81/780697681.db2.gz GKWLCDVLPDEFMX-MNOVXSKESA-N 1 1 323.353 -1.855 20 0 DAADMO CN(CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O)S(C)(=O)=O ZINC001281958216 780697775 /nfs/dbraw/zinc/69/77/75/780697775.db2.gz YVLGHTASNWWXHN-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(N)=O)S(C)(=O)=O ZINC001281958216 780697779 /nfs/dbraw/zinc/69/77/79/780697779.db2.gz YVLGHTASNWWXHN-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001282202376 780702144 /nfs/dbraw/zinc/70/21/44/780702144.db2.gz LORKPFABSWOQOO-BDAKNGLRSA-N 1 1 322.369 -1.149 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001282202382 780702205 /nfs/dbraw/zinc/70/22/05/780702205.db2.gz LORKPFABSWOQOO-RKDXNWHRSA-N 1 1 322.369 -1.149 20 0 DAADMO C[C@H](NC(=O)Cc1cnc[nH]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192117 780702649 /nfs/dbraw/zinc/70/26/49/780702649.db2.gz KHQKXKYBHSDQFL-UWVGGRQHSA-N 1 1 317.415 -1.016 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282378130 780705810 /nfs/dbraw/zinc/70/58/10/780705810.db2.gz KPUCLMMLGFWGDF-IUCAKERBSA-N 1 1 308.342 -1.330 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001282415112 780707075 /nfs/dbraw/zinc/70/70/75/780707075.db2.gz KFPGTNBCDHCJAX-QWRGUYRKSA-N 1 1 323.353 -1.855 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282443107 780710145 /nfs/dbraw/zinc/71/01/45/780710145.db2.gz DWGSCPKOLABVSO-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001282588038 780712338 /nfs/dbraw/zinc/71/23/38/780712338.db2.gz AATYOWKOQWQKTG-CQSZACIVSA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001282588066 780712367 /nfs/dbraw/zinc/71/23/67/780712367.db2.gz AINXEQYEJKKHTD-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775673 780715623 /nfs/dbraw/zinc/71/56/23/780715623.db2.gz WSSJIORHQBFVET-FZMZJTMJSA-N 1 1 315.370 -1.828 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775673 780715627 /nfs/dbraw/zinc/71/56/27/780715627.db2.gz WSSJIORHQBFVET-FZMZJTMJSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001282846753 780715911 /nfs/dbraw/zinc/71/59/11/780715911.db2.gz VMKDLFQWPFMLDK-DOLQZWNJSA-N 1 1 308.338 -2.039 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001282849387 780716412 /nfs/dbraw/zinc/71/64/12/780716412.db2.gz MUZWWHXDZLINGJ-YFKTTZPYSA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001282873572 780716879 /nfs/dbraw/zinc/71/68/79/780716879.db2.gz KKEASKTUDHXPMH-WISYIIOYSA-N 1 1 312.370 -2.029 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)C1CC1 ZINC001282872937 780717173 /nfs/dbraw/zinc/71/71/73/780717173.db2.gz CPKKOPCQBGORPM-PDEGPIFNSA-N 1 1 308.382 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001282893487 780718072 /nfs/dbraw/zinc/71/80/72/780718072.db2.gz GFZWNOCOXNNQGW-XWLWVQCSSA-N 1 1 322.365 -1.921 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001282886151 780718451 /nfs/dbraw/zinc/71/84/51/780718451.db2.gz AXKDOISSFLBABA-FVCCEPFGSA-N 1 1 320.393 -1.305 20 0 DAADMO CC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001282890803 780718684 /nfs/dbraw/zinc/71/86/84/780718684.db2.gz PUGZSVVGYKXNTE-LBPRGKRZSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CCNS(C)(=O)=O ZINC001282945868 780724821 /nfs/dbraw/zinc/72/48/21/780724821.db2.gz FFOLXWNJPOFVAZ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO Nc1nccnc1C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001282952109 780725402 /nfs/dbraw/zinc/72/54/02/780725402.db2.gz QQZLOKFSTLVSIX-UHFFFAOYSA-N 1 1 322.369 -1.373 20 0 DAADMO COC[C@@H](OC)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282959121 780725859 /nfs/dbraw/zinc/72/58/59/780725859.db2.gz KDZUHWUUVFTJMK-WDEREUQCSA-N 1 1 303.359 -1.789 20 0 DAADMO COC[C@@H](OC)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282959121 780725866 /nfs/dbraw/zinc/72/58/66/780725866.db2.gz KDZUHWUUVFTJMK-WDEREUQCSA-N 1 1 303.359 -1.789 20 0 DAADMO Cc1nccc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001282959785 780726479 /nfs/dbraw/zinc/72/64/79/780726479.db2.gz REIFSVFBJAUDMN-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1nccc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001282959785 780726485 /nfs/dbraw/zinc/72/64/85/780726485.db2.gz REIFSVFBJAUDMN-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001282957524 780726942 /nfs/dbraw/zinc/72/69/42/780726942.db2.gz YSGNOLKCVOFKPK-GHMZBOCLSA-N 1 1 310.358 -1.598 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001282957524 780726945 /nfs/dbraw/zinc/72/69/45/780726945.db2.gz YSGNOLKCVOFKPK-GHMZBOCLSA-N 1 1 310.358 -1.598 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2ccc3nnnn3c2)C1 ZINC001283024097 780733522 /nfs/dbraw/zinc/73/35/22/780733522.db2.gz AVYWIJMKSGGGHN-NSHDSACASA-N 1 1 317.353 -1.078 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283025308 780733628 /nfs/dbraw/zinc/73/36/28/780733628.db2.gz JBRWNASBRBRQSP-QWRGUYRKSA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283025304 780733642 /nfs/dbraw/zinc/73/36/42/780733642.db2.gz JBRWNASBRBRQSP-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283026244 780733774 /nfs/dbraw/zinc/73/37/74/780733774.db2.gz USFZOXOMECVLDM-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)Cn1cc[nH+]c1C ZINC001283027190 780733918 /nfs/dbraw/zinc/73/39/18/780733918.db2.gz MKMDUNSUEMZDHB-UHFFFAOYSA-N 1 1 317.371 -2.027 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)Cn1ncn(C)c1=O ZINC001283027655 780734771 /nfs/dbraw/zinc/73/47/71/780734771.db2.gz RNJGQPJFCNMSGP-UHFFFAOYSA-N 1 1 321.341 -1.981 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2c[nH]cn2)C1 ZINC001283048508 780736274 /nfs/dbraw/zinc/73/62/74/780736274.db2.gz VXYQSKPUGMQEAT-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2c[nH]cn2)C1 ZINC001283048508 780736279 /nfs/dbraw/zinc/73/62/79/780736279.db2.gz VXYQSKPUGMQEAT-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283064556 780738495 /nfs/dbraw/zinc/73/84/95/780738495.db2.gz AHSTULUSQBOGHC-LLVKDONJSA-N 1 1 319.427 -1.006 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283108896 780742409 /nfs/dbraw/zinc/74/24/09/780742409.db2.gz UQTAAQCGDDATNO-SNVBAGLBSA-N 1 1 312.370 -1.387 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001283112118 780743040 /nfs/dbraw/zinc/74/30/40/780743040.db2.gz DGOUZNGAQQXTPI-SNVBAGLBSA-N 1 1 324.381 -1.387 20 0 DAADMO CN1C[C@H](C(=O)NCCCNC(=O)[C@@H]2CCC[N@H+]2C)NC1=O ZINC001283208479 780749693 /nfs/dbraw/zinc/74/96/93/780749693.db2.gz RYUPYWBSJQDJBE-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)CCn2ccnn2)C1 ZINC001283212404 780750146 /nfs/dbraw/zinc/75/01/46/780750146.db2.gz SKZLTXQNJWKJPB-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)CCn2ccnn2)C1 ZINC001283212404 780750154 /nfs/dbraw/zinc/75/01/54/780750154.db2.gz SKZLTXQNJWKJPB-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2cn(C)nn2)C1 ZINC001283242312 780752085 /nfs/dbraw/zinc/75/20/85/780752085.db2.gz TXYKXDYYJBWKDM-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2cn(C)nn2)C1 ZINC001283242312 780752089 /nfs/dbraw/zinc/75/20/89/780752089.db2.gz TXYKXDYYJBWKDM-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2cnnn2C)C1 ZINC001283237128 780752224 /nfs/dbraw/zinc/75/22/24/780752224.db2.gz VKJOXCKHCMUUFK-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2cnnn2C)C1 ZINC001283237128 780752229 /nfs/dbraw/zinc/75/22/29/780752229.db2.gz VKJOXCKHCMUUFK-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283294998 780755029 /nfs/dbraw/zinc/75/50/29/780755029.db2.gz WKMHNAOHJJZBEU-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)c1cccn2nnnc12 ZINC001283378011 780758283 /nfs/dbraw/zinc/75/82/83/780758283.db2.gz RZUFNCXWWCUITL-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cn[nH]c(=O)c1)[C@H]1CCNC1=O ZINC001283387965 780758460 /nfs/dbraw/zinc/75/84/60/780758460.db2.gz LEXFXNLXWCTGSG-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)c1cnnn1C ZINC001283375174 780758758 /nfs/dbraw/zinc/75/87/58/780758758.db2.gz QDKVDWNDDRZYNJ-JTQLQIEISA-N 1 1 312.374 -1.372 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1CCCNC1=O ZINC001283386421 780758818 /nfs/dbraw/zinc/75/88/18/780758818.db2.gz BVBSVXAWLKGHNZ-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)c1[nH]nnc1C ZINC001283405026 780759551 /nfs/dbraw/zinc/75/95/51/780759551.db2.gz AYSGEPSJXTYORH-JTQLQIEISA-N 1 1 312.374 -1.074 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283407030 780759917 /nfs/dbraw/zinc/75/99/17/780759917.db2.gz OTJVPGPYWJCLRV-UWVGGRQHSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCN(C)C1=O ZINC001283408602 780760210 /nfs/dbraw/zinc/76/02/10/780760210.db2.gz RUFBKIFDLVZQPD-LLVKDONJSA-N 1 1 314.386 -1.725 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCN(C)C1=O ZINC001283408602 780760217 /nfs/dbraw/zinc/76/02/17/780760217.db2.gz RUFBKIFDLVZQPD-LLVKDONJSA-N 1 1 314.386 -1.725 20 0 DAADMO CC(=O)NCC(=O)N(C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283515560 780763969 /nfs/dbraw/zinc/76/39/69/780763969.db2.gz UMCGIJGMIAHLLT-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)N(C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283515560 780763973 /nfs/dbraw/zinc/76/39/73/780763973.db2.gz UMCGIJGMIAHLLT-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001283617227 780767123 /nfs/dbraw/zinc/76/71/23/780767123.db2.gz HIZSJKMXNPMZJZ-APPZFPTMSA-N 1 1 310.314 -1.396 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001283617938 780767842 /nfs/dbraw/zinc/76/78/42/780767842.db2.gz NOUQIIDTCRAKRT-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001283617940 780768022 /nfs/dbraw/zinc/76/80/22/780768022.db2.gz NOUQIIDTCRAKRT-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1cnon1 ZINC001283703026 780769792 /nfs/dbraw/zinc/76/97/92/780769792.db2.gz QFELPBYUUIFDLY-SECBINFHSA-N 1 1 324.341 -1.100 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001283731607 780770107 /nfs/dbraw/zinc/77/01/07/780770107.db2.gz ADCGKQZONWVYRN-LBPRGKRZSA-N 1 1 305.338 -1.066 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001283713039 780770461 /nfs/dbraw/zinc/77/04/61/780770461.db2.gz IITBUVSEXIVPFE-VIFPVBQESA-N 1 1 323.357 -1.697 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1c[nH]nn1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283681180 780770622 /nfs/dbraw/zinc/77/06/22/780770622.db2.gz XBAUJUPKPZWIOA-MWLCHTKSSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1cnn[nH]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283681180 780770627 /nfs/dbraw/zinc/77/06/27/780770627.db2.gz XBAUJUPKPZWIOA-MWLCHTKSSA-N 1 1 322.369 -1.021 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)nn1C ZINC001283797717 780777966 /nfs/dbraw/zinc/77/79/66/780777966.db2.gz RVIYDFRHRPREOW-NSHDSACASA-N 1 1 309.370 -1.439 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC001283795748 780778295 /nfs/dbraw/zinc/77/82/95/780778295.db2.gz GZPIDXBCQOPHTE-ZYHUDNBSSA-N 1 1 320.349 -1.656 20 0 DAADMO CC(C)C(=O)NCCC[NH+]1CCN(C(=O)Cn2ncnn2)CC1 ZINC001283814571 780779692 /nfs/dbraw/zinc/77/96/92/780779692.db2.gz ADLCXWREBFYARF-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)Cc2ccoc2)CC1 ZINC001283822085 780780390 /nfs/dbraw/zinc/78/03/90/780780390.db2.gz UGRGCCMRMCTXCP-UHFFFAOYSA-N 1 1 322.365 -1.042 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001283830870 780782018 /nfs/dbraw/zinc/78/20/18/780782018.db2.gz HKZFEHJCZAESBL-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001283830870 780782023 /nfs/dbraw/zinc/78/20/23/780782023.db2.gz HKZFEHJCZAESBL-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC(=O)NC2=O)on1 ZINC001283842591 780783800 /nfs/dbraw/zinc/78/38/00/780783800.db2.gz PXYFLOBHWKARHE-NXEZZACHSA-N 1 1 324.337 -1.397 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C(=O)NCC(F)F)CCC[C@H]12 ZINC001284057923 780792628 /nfs/dbraw/zinc/79/26/28/780792628.db2.gz OFVBJWYGOKZHNO-SDBXPKJASA-N 1 1 318.324 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C(=O)NCC(F)F)CCC[C@H]12 ZINC001284057923 780792632 /nfs/dbraw/zinc/79/26/32/780792632.db2.gz OFVBJWYGOKZHNO-SDBXPKJASA-N 1 1 318.324 -1.034 20 0 DAADMO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001284061615 780792966 /nfs/dbraw/zinc/79/29/66/780792966.db2.gz WCVHHVNZWJBTBY-MGCOHNPYSA-N 1 1 310.358 -1.240 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001284057920 780793320 /nfs/dbraw/zinc/79/33/20/780793320.db2.gz OFVBJWYGOKZHNO-OQPBUACISA-N 1 1 318.324 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001284057920 780793326 /nfs/dbraw/zinc/79/33/26/780793326.db2.gz OFVBJWYGOKZHNO-OQPBUACISA-N 1 1 318.324 -1.034 20 0 DAADMO C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001284170363 780796894 /nfs/dbraw/zinc/79/68/94/780796894.db2.gz BMKSHMWTTFOKSV-IWIIMEHWSA-N 1 1 322.369 -1.431 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001284286105 780804548 /nfs/dbraw/zinc/80/45/48/780804548.db2.gz ZOFJGWRGMSKMQD-GXSJLCMTSA-N 1 1 307.354 -1.051 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001284286106 780804594 /nfs/dbraw/zinc/80/45/94/780804594.db2.gz ZOFJGWRGMSKMQD-KOLCDFICSA-N 1 1 307.354 -1.051 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cc[n+]([O-])cc1 ZINC001284380341 780811389 /nfs/dbraw/zinc/81/13/89/780811389.db2.gz LCXYOLUWTFBILQ-LBPRGKRZSA-N 1 1 320.353 -1.329 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cc1ccn[nH]1 ZINC001284402698 780812330 /nfs/dbraw/zinc/81/23/30/780812330.db2.gz MTNOVJZOGFFILX-GHMZBOCLSA-N 1 1 323.353 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C(=O)C(C)(C)C ZINC001284400906 780813779 /nfs/dbraw/zinc/81/37/79/780813779.db2.gz IUWNTMZKIMCQMZ-VIFPVBQESA-N 1 1 312.374 -1.266 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C(C)(C)C(N)=O ZINC001284425541 780815312 /nfs/dbraw/zinc/81/53/12/780815312.db2.gz RAVJXQHCLRIYJK-QMMMGPOBSA-N 1 1 313.362 -2.370 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284476272 780819295 /nfs/dbraw/zinc/81/92/95/780819295.db2.gz HFFYLBQPZUUYNS-ZJUUUORDSA-N 1 1 301.343 -1.811 20 0 DAADMO CCOCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001284491978 780821609 /nfs/dbraw/zinc/82/16/09/780821609.db2.gz GAFVKIUSSKWZSQ-LBPRGKRZSA-N 1 1 322.427 -1.181 20 0 DAADMO CCOCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001284491978 780821622 /nfs/dbraw/zinc/82/16/22/780821622.db2.gz GAFVKIUSSKWZSQ-LBPRGKRZSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)C1(C(N)=O)CC1 ZINC001284507873 780823238 /nfs/dbraw/zinc/82/32/38/780823238.db2.gz ADVCEFDNYYKBMK-GFCCVEGCSA-N 1 1 323.397 -1.063 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)C1(C(N)=O)CC1 ZINC001284507873 780823252 /nfs/dbraw/zinc/82/32/52/780823252.db2.gz ADVCEFDNYYKBMK-GFCCVEGCSA-N 1 1 323.397 -1.063 20 0 DAADMO COCCOCC(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284509977 780824037 /nfs/dbraw/zinc/82/40/37/780824037.db2.gz AYRWSMDAXIDYMR-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCOCC(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284509977 780824044 /nfs/dbraw/zinc/82/40/44/780824044.db2.gz AYRWSMDAXIDYMR-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)C1(C(N)=O)CC1 ZINC001284510639 780824094 /nfs/dbraw/zinc/82/40/94/780824094.db2.gz YXABHYUZBPKZLA-GFCCVEGCSA-N 1 1 323.397 -1.100 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284517670 780825803 /nfs/dbraw/zinc/82/58/03/780825803.db2.gz YJJDSZFTTQBPHT-GXSJLCMTSA-N 1 1 315.370 -1.829 20 0 DAADMO CCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001284700930 780836637 /nfs/dbraw/zinc/83/66/37/780836637.db2.gz HQXVQVOOEHLOFL-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001284700930 780836644 /nfs/dbraw/zinc/83/66/44/780836644.db2.gz HQXVQVOOEHLOFL-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCCN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)C(N)=O ZINC001284710874 780837056 /nfs/dbraw/zinc/83/70/56/780837056.db2.gz SJSSCBYLABPZEG-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001284877677 780842436 /nfs/dbraw/zinc/84/24/36/780842436.db2.gz FNQLRFRKBGUDNJ-UHFFFAOYSA-N 1 1 311.342 -1.934 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001284877677 780842440 /nfs/dbraw/zinc/84/24/40/780842440.db2.gz FNQLRFRKBGUDNJ-UHFFFAOYSA-N 1 1 311.342 -1.934 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001284893476 780843754 /nfs/dbraw/zinc/84/37/54/780843754.db2.gz QSTBWRLPNADGOG-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001284914345 780846976 /nfs/dbraw/zinc/84/69/76/780846976.db2.gz XFZMEVNNNFVQFO-JTQLQIEISA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001284914345 780846982 /nfs/dbraw/zinc/84/69/82/780846982.db2.gz XFZMEVNNNFVQFO-JTQLQIEISA-N 1 1 312.370 -1.845 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001284958993 780851021 /nfs/dbraw/zinc/85/10/21/780851021.db2.gz DSQUOSGPCOFHCZ-GFCCVEGCSA-N 1 1 315.370 -1.756 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001285213827 780860624 /nfs/dbraw/zinc/86/06/24/780860624.db2.gz HMUBYBOXPCBBEO-ZJUUUORDSA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001285213827 780860631 /nfs/dbraw/zinc/86/06/31/780860631.db2.gz HMUBYBOXPCBBEO-ZJUUUORDSA-N 1 1 300.359 -1.939 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001285437804 780872153 /nfs/dbraw/zinc/87/21/53/780872153.db2.gz MJSZANULZKMBTF-MNOVXSKESA-N 1 1 323.353 -2.079 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001285511115 780876680 /nfs/dbraw/zinc/87/66/80/780876680.db2.gz JGFCOGHMBIWIBM-PGLGOXFNSA-N 1 1 322.369 -1.154 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001285511115 780876682 /nfs/dbraw/zinc/87/66/82/780876682.db2.gz JGFCOGHMBIWIBM-PGLGOXFNSA-N 1 1 322.369 -1.154 20 0 DAADMO CNC(=O)NCC(=O)NC/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001285557534 780877844 /nfs/dbraw/zinc/87/78/44/780877844.db2.gz JXVAEYDTZOKVIB-ONEGZZNKSA-N 1 1 322.369 -1.091 20 0 DAADMO C[N@@H+](CC(=O)NC/C=C\CNC(=O)Cn1ncnn1)C1CCC1 ZINC001285557679 780877943 /nfs/dbraw/zinc/87/79/43/780877943.db2.gz DVCKCAOWXQEVCI-IHWYPQMZSA-N 1 1 321.385 -1.054 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001285714939 780885137 /nfs/dbraw/zinc/88/51/37/780885137.db2.gz ORPBRMDZYCXGIP-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001285965151 780900806 /nfs/dbraw/zinc/90/08/06/780900806.db2.gz KHUZTEOPFQKWFU-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001286037261 780903839 /nfs/dbraw/zinc/90/38/39/780903839.db2.gz ZFAPWQJTZLCAOL-JTQLQIEISA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081694 780904667 /nfs/dbraw/zinc/90/46/67/780904667.db2.gz SMGFXGOPMUAMDY-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081694 780904669 /nfs/dbraw/zinc/90/46/69/780904669.db2.gz SMGFXGOPMUAMDY-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081695 780904740 /nfs/dbraw/zinc/90/47/40/780904740.db2.gz SMGFXGOPMUAMDY-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081695 780904743 /nfs/dbraw/zinc/90/47/43/780904743.db2.gz SMGFXGOPMUAMDY-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134929 780906936 /nfs/dbraw/zinc/90/69/36/780906936.db2.gz HKHIEPYWLRGCGF-YGRLFVJLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134929 780906945 /nfs/dbraw/zinc/90/69/45/780906945.db2.gz HKHIEPYWLRGCGF-YGRLFVJLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134927 780907117 /nfs/dbraw/zinc/90/71/17/780907117.db2.gz HKHIEPYWLRGCGF-IINYFYTJSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134927 780907123 /nfs/dbraw/zinc/90/71/23/780907123.db2.gz HKHIEPYWLRGCGF-IINYFYTJSA-N 1 1 312.370 -1.843 20 0 DAADMO CN(CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C(N)=O ZINC001287393722 780917076 /nfs/dbraw/zinc/91/70/76/780917076.db2.gz CESTZSQDLOTYSU-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCCOCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287747960 780923136 /nfs/dbraw/zinc/92/31/36/780923136.db2.gz QBOMVSSTSIXIRL-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287747960 780923141 /nfs/dbraw/zinc/92/31/41/780923141.db2.gz QBOMVSSTSIXIRL-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287751079 780923224 /nfs/dbraw/zinc/92/32/24/780923224.db2.gz MULRJXBFOYPSEO-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287751079 780923227 /nfs/dbraw/zinc/92/32/27/780923227.db2.gz MULRJXBFOYPSEO-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001287752033 780923293 /nfs/dbraw/zinc/92/32/93/780923293.db2.gz QUHKTWORMTVQHQ-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CCCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287757504 780925362 /nfs/dbraw/zinc/92/53/62/780925362.db2.gz QPTILPQXCPPKOH-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287757504 780925366 /nfs/dbraw/zinc/92/53/66/780925366.db2.gz QPTILPQXCPPKOH-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001287833069 780934016 /nfs/dbraw/zinc/93/40/16/780934016.db2.gz JYGQYBKZZGUDNX-JTQLQIEISA-N 1 1 323.353 -1.950 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090823668 781351754 /nfs/dbraw/zinc/35/17/54/781351754.db2.gz LDHUMXFBXSZNTQ-NEPJUHHUSA-N 1 1 323.397 -1.221 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090834169 781353026 /nfs/dbraw/zinc/35/30/26/781353026.db2.gz SNSGCTYIBVJBLW-WCBMZHEXSA-N 1 1 312.330 -3.079 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)nc1 ZINC001090843888 781354550 /nfs/dbraw/zinc/35/45/50/781354550.db2.gz MFDOKKLTEBKJOV-PWSUYJOCSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001090842842 781355825 /nfs/dbraw/zinc/35/58/25/781355825.db2.gz DVUBHNFWLUMNRW-YPMHNXCESA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 ZINC001090839922 781356000 /nfs/dbraw/zinc/35/60/00/781356000.db2.gz TVFPTMUAZSFSDN-GXFFZTMASA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090839743 781356321 /nfs/dbraw/zinc/35/63/21/781356321.db2.gz RYFBNQSZHJAFSM-SKDRFNHKSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001090840715 781356763 /nfs/dbraw/zinc/35/67/63/781356763.db2.gz FCGAELQQQYMROD-KBPBESRZSA-N 1 1 321.377 -1.128 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090847470 781357252 /nfs/dbraw/zinc/35/72/52/781357252.db2.gz VPKFBAKOZRYEGP-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090847470 781357257 /nfs/dbraw/zinc/35/72/57/781357257.db2.gz VPKFBAKOZRYEGP-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090851930 781357806 /nfs/dbraw/zinc/35/78/06/781357806.db2.gz LGNVKIQUJWEPEF-CMPLNLGQSA-N 1 1 308.338 -1.662 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090852139 781358643 /nfs/dbraw/zinc/35/86/43/781358643.db2.gz NMZNECAXRDMCJC-GHMZBOCLSA-N 1 1 321.341 -1.165 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143675418 781361562 /nfs/dbraw/zinc/36/15/62/781361562.db2.gz IDCBIZMSQGGYBE-KGLIPLIRSA-N 1 1 324.377 -1.546 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143675418 781361569 /nfs/dbraw/zinc/36/15/69/781361569.db2.gz IDCBIZMSQGGYBE-KGLIPLIRSA-N 1 1 324.377 -1.546 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090858669 781362504 /nfs/dbraw/zinc/36/25/04/781362504.db2.gz PCQDGPMXFJFCGJ-WCQYABFASA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1nnc(CNC2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001090970187 781363137 /nfs/dbraw/zinc/36/31/37/781363137.db2.gz OKWXEKYBXYUGTB-MCIGGMRASA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001090970187 781363148 /nfs/dbraw/zinc/36/31/48/781363148.db2.gz OKWXEKYBXYUGTB-MCIGGMRASA-N 1 1 323.401 -1.475 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144800 781363403 /nfs/dbraw/zinc/36/34/03/781363403.db2.gz UPIVBPKUWBCPNE-UWVGGRQHSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144800 781363411 /nfs/dbraw/zinc/36/34/11/781363411.db2.gz UPIVBPKUWBCPNE-UWVGGRQHSA-N 1 1 311.346 -2.246 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C[C@@H]1CO ZINC001171137533 781366518 /nfs/dbraw/zinc/36/65/18/781366518.db2.gz DCTDGFZQIJNUDY-QMTHXVAHSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C[C@@H]1CO ZINC001171137533 781366526 /nfs/dbraw/zinc/36/65/26/781366526.db2.gz DCTDGFZQIJNUDY-QMTHXVAHSA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144143545 781366546 /nfs/dbraw/zinc/36/65/46/781366546.db2.gz TWERDVSQZUIATK-XYPYZODXSA-N 1 1 312.418 -1.083 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001091012588 781367525 /nfs/dbraw/zinc/36/75/25/781367525.db2.gz MQUVLPUNJJFTBS-HACHORDNSA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2cnnn2C)C1 ZINC001091009615 781368073 /nfs/dbraw/zinc/36/80/73/781368073.db2.gz WLVWZZMYMGSANL-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO CN1C[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001091058820 781368955 /nfs/dbraw/zinc/36/89/55/781368955.db2.gz VUUXDKIOWRZOJI-HSOILSAZSA-N 1 1 321.385 -1.327 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144333830 781370074 /nfs/dbraw/zinc/37/00/74/781370074.db2.gz XJHZGQNVRBQHSC-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144333830 781370077 /nfs/dbraw/zinc/37/00/77/781370077.db2.gz XJHZGQNVRBQHSC-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091062381 781371299 /nfs/dbraw/zinc/37/12/99/781371299.db2.gz NUDKWHPNZZIMGP-NEPJUHHUSA-N 1 1 307.354 -1.105 20 0 DAADMO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375489 781374453 /nfs/dbraw/zinc/37/44/53/781374453.db2.gz PYQVAZJMCDXOQG-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375489 781374460 /nfs/dbraw/zinc/37/44/60/781374460.db2.gz PYQVAZJMCDXOQG-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091104292 781376866 /nfs/dbraw/zinc/37/68/66/781376866.db2.gz MOLNIUVJWWMXTJ-MNOVXSKESA-N 1 1 322.369 -1.182 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149206517 781382080 /nfs/dbraw/zinc/38/20/80/781382080.db2.gz HFEYXRLVXIKJBJ-CMPLNLGQSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149206517 781382087 /nfs/dbraw/zinc/38/20/87/781382087.db2.gz HFEYXRLVXIKJBJ-CMPLNLGQSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1[n-]c(C[NH2+]CCCNC(=O)COCC[NH+](C)C)nc1=O ZINC001171204909 781382488 /nfs/dbraw/zinc/38/24/88/781382488.db2.gz HUWQWIIDJFBAFF-UHFFFAOYSA-N 1 1 314.390 -1.718 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001091198473 781384240 /nfs/dbraw/zinc/38/42/40/781384240.db2.gz HBDNASWDNWLFGQ-VQXHTEKXSA-N 1 1 321.385 -1.185 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(Br)CCC2)[C@@H]2NCN[C@H]21 ZINC001144753639 781385405 /nfs/dbraw/zinc/38/54/05/781385405.db2.gz XCHSJINOHCWAMP-RNJXMRFFSA-N 1 1 304.192 -1.177 20 0 DAADMO COc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1O ZINC001144793820 781385562 /nfs/dbraw/zinc/38/55/62/781385562.db2.gz AOPORKAIYVFKDU-HZSPNIEDSA-N 1 1 307.354 -1.538 20 0 DAADMO Cn1ncc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)n1 ZINC001091280068 781387225 /nfs/dbraw/zinc/38/72/25/781387225.db2.gz ZQXJDSNSYUWWIF-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO CSCC[C@H](NC(C)=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001144865477 781387811 /nfs/dbraw/zinc/38/78/11/781387811.db2.gz AKNOISNLMQWCQJ-ZRUFSTJUSA-N 1 1 316.431 -2.237 20 0 DAADMO O=C(NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001091288343 781389642 /nfs/dbraw/zinc/38/96/42/781389642.db2.gz NMFXJHFTXYKHOA-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001091288343 781389650 /nfs/dbraw/zinc/38/96/50/781389650.db2.gz NMFXJHFTXYKHOA-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(C(=O)N1CC[NH+]2CCC1CC2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899670 781392389 /nfs/dbraw/zinc/39/23/89/781392389.db2.gz MLYLHISTSLYRAW-HBNTYKKESA-N 1 1 302.327 -3.063 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144900429 781393666 /nfs/dbraw/zinc/39/36/66/781393666.db2.gz RSOCYBFUXOXTAI-NOOOWODRSA-N 1 1 318.370 -2.428 20 0 DAADMO O=C(NCc1[nH+]cn2ccccc12)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906386 781398748 /nfs/dbraw/zinc/39/87/48/781398748.db2.gz DZFZHOLSLKXYQR-SDDRHHMPSA-N 1 1 323.305 -2.405 20 0 DAADMO CC(=O)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001144924553 781405965 /nfs/dbraw/zinc/40/59/65/781405965.db2.gz NVEGGHFYJGTNOZ-XUXIUFHCSA-N 1 1 319.365 -1.190 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccnc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263022 781406971 /nfs/dbraw/zinc/40/69/71/781406971.db2.gz JXJHCWYFJTZEKM-OJAKKHQRSA-N 1 1 319.321 -1.206 20 0 DAADMO CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@]2(C)C1 ZINC001091413143 781407287 /nfs/dbraw/zinc/40/72/87/781407287.db2.gz KUPAIUKBWRHRNT-DOMZBBRYSA-N 1 1 308.382 -1.255 20 0 DAADMO CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@]2(C)C1 ZINC001091413143 781407296 /nfs/dbraw/zinc/40/72/96/781407296.db2.gz KUPAIUKBWRHRNT-DOMZBBRYSA-N 1 1 308.382 -1.255 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001146183187 781408301 /nfs/dbraw/zinc/40/83/01/781408301.db2.gz HEQQKDHGHYMTCW-UHFFFAOYSA-N 1 1 318.403 -1.400 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC001091538344 781409024 /nfs/dbraw/zinc/40/90/24/781409024.db2.gz CBENVGUFYGDRAD-HFAKWTLXSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001146199519 781410355 /nfs/dbraw/zinc/41/03/55/781410355.db2.gz AAOQIFOGKRLFSO-UHFFFAOYSA-N 1 1 309.334 -2.239 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1ncnn1C)c1nnnn1C ZINC001146201425 781410449 /nfs/dbraw/zinc/41/04/49/781410449.db2.gz ZCRYMMNBPXJNQD-VIFPVBQESA-N 1 1 323.361 -1.678 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191611 781410501 /nfs/dbraw/zinc/41/05/01/781410501.db2.gz YCARYHPIIHGJKC-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146190262 781410597 /nfs/dbraw/zinc/41/05/97/781410597.db2.gz BJUXVXSRPQENQO-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)COCc2nncn2C)[nH]1 ZINC001146207536 781410805 /nfs/dbraw/zinc/41/08/05/781410805.db2.gz ACHAMBZDVWPVPP-UHFFFAOYSA-N 1 1 308.346 -1.336 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149154430 781413542 /nfs/dbraw/zinc/41/35/42/781413542.db2.gz XYPTWCZFWBCXSF-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149154430 781413547 /nfs/dbraw/zinc/41/35/47/781413547.db2.gz XYPTWCZFWBCXSF-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879338 781415213 /nfs/dbraw/zinc/41/52/13/781415213.db2.gz IVQWBHUPCUZDQD-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(NC1CC[NH+](CCF)CC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146628606 781416727 /nfs/dbraw/zinc/41/67/27/781416727.db2.gz KIFTXRZVPHGFLP-JHJVBQTASA-N 1 1 302.346 -1.051 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099881984 781416766 /nfs/dbraw/zinc/41/67/66/781416766.db2.gz MJXTWFOKSXIMOQ-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cncc1C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123040 781416830 /nfs/dbraw/zinc/41/68/30/781416830.db2.gz ARGITBNDLYQOFZ-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1cncc1C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123040 781416833 /nfs/dbraw/zinc/41/68/33/781416833.db2.gz ARGITBNDLYQOFZ-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091590818 781418979 /nfs/dbraw/zinc/41/89/79/781418979.db2.gz GALKHPLWWICBIS-HFAKWTLXSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]Cc1cnns1 ZINC001146879049 781422087 /nfs/dbraw/zinc/42/20/87/781422087.db2.gz SCKYJUIRWTURRP-UHFFFAOYSA-N 1 1 312.355 -1.314 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)c1nncn1C ZINC001146878514 781422425 /nfs/dbraw/zinc/42/24/25/781422425.db2.gz IXRPJXHRNYUNHE-VIFPVBQESA-N 1 1 323.357 -1.476 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001146904224 781423101 /nfs/dbraw/zinc/42/31/01/781423101.db2.gz DXJLCJWSFHHIGG-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146878804 781423173 /nfs/dbraw/zinc/42/31/73/781423173.db2.gz LEEHSOHDVVVHIK-UHFFFAOYSA-N 1 1 323.357 -1.554 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001146980537 781424760 /nfs/dbraw/zinc/42/47/60/781424760.db2.gz YIHPFMZSEHGYJW-QMMMGPOBSA-N 1 1 308.342 -1.585 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001146951065 781424907 /nfs/dbraw/zinc/42/49/07/781424907.db2.gz KJEATWDSPFXSOV-UHFFFAOYSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)c2cscn2)nn1 ZINC001146918327 781425120 /nfs/dbraw/zinc/42/51/20/781425120.db2.gz DFAYQVFFYWIJEE-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)c2cscn2)n1 ZINC001146918620 781425336 /nfs/dbraw/zinc/42/53/36/781425336.db2.gz QEIVLIRPEXXWRB-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001146985996 781427154 /nfs/dbraw/zinc/42/71/54/781427154.db2.gz KTXUZEGXHPGBSM-CYBMUJFWSA-N 1 1 309.374 -1.326 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001146998988 781427346 /nfs/dbraw/zinc/42/73/46/781427346.db2.gz DTXQBKAQPCROGN-JTQLQIEISA-N 1 1 309.370 -1.532 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCOCC3)C[C@]2(C)C1 ZINC001091608627 781427474 /nfs/dbraw/zinc/42/74/74/781427474.db2.gz XBNLWMDNHVZUJK-CJNGLKHVSA-N 1 1 324.425 -1.155 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146973660 781427487 /nfs/dbraw/zinc/42/74/87/781427487.db2.gz HZZDYCVVNPPUJY-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146973660 781427491 /nfs/dbraw/zinc/42/74/91/781427491.db2.gz HZZDYCVVNPPUJY-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001146998999 781427601 /nfs/dbraw/zinc/42/76/01/781427601.db2.gz DTXQBKAQPCROGN-SNVBAGLBSA-N 1 1 309.370 -1.532 20 0 DAADMO COCCOCC[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999769 781427668 /nfs/dbraw/zinc/42/76/68/781427668.db2.gz NQFAETWCODVETR-UHFFFAOYSA-N 1 1 314.386 -1.148 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001147031115 781430711 /nfs/dbraw/zinc/43/07/11/781430711.db2.gz GRKJOHVWQORLGM-CHWSQXEVSA-N 1 1 314.382 -1.057 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CC(=O)NCC1CC1)c1nnnn1C ZINC001147085356 781431284 /nfs/dbraw/zinc/43/12/84/781431284.db2.gz YEUWWGWBZKOUPG-VIFPVBQESA-N 1 1 309.374 -1.107 20 0 DAADMO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147082541 781433377 /nfs/dbraw/zinc/43/33/77/781433377.db2.gz ACTRIJZBTMUUOA-UHFFFAOYSA-N 1 1 320.411 -1.426 20 0 DAADMO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147082541 781433381 /nfs/dbraw/zinc/43/33/81/781433381.db2.gz ACTRIJZBTMUUOA-UHFFFAOYSA-N 1 1 320.411 -1.426 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 ZINC001147211955 781435107 /nfs/dbraw/zinc/43/51/07/781435107.db2.gz KGMFIRPVPWBRCY-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001147278108 781436791 /nfs/dbraw/zinc/43/67/91/781436791.db2.gz QQCFJEKKDWSAHT-UHFFFAOYSA-N 1 1 316.387 -1.912 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001147271758 781437070 /nfs/dbraw/zinc/43/70/70/781437070.db2.gz QDRSNHIACNEPFO-WDEREUQCSA-N 1 1 324.385 -1.263 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NCc1ccco1 ZINC001147277239 781437155 /nfs/dbraw/zinc/43/71/55/781437155.db2.gz ACKWRXHHEFSCPS-UHFFFAOYSA-N 1 1 306.326 -1.038 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001147298869 781437251 /nfs/dbraw/zinc/43/72/51/781437251.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001147298869 781437254 /nfs/dbraw/zinc/43/72/54/781437254.db2.gz YBKPSPRXQDMPIU-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271690 781437824 /nfs/dbraw/zinc/43/78/24/781437824.db2.gz NLIKEIZYZXXOKQ-JTQLQIEISA-N 1 1 312.374 -1.406 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271778 781437935 /nfs/dbraw/zinc/43/79/35/781437935.db2.gz RAIJXUWZBJODIP-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001147271756 781437967 /nfs/dbraw/zinc/43/79/67/781437967.db2.gz QDRSNHIACNEPFO-MNOVXSKESA-N 1 1 324.385 -1.263 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001147393042 781441240 /nfs/dbraw/zinc/44/12/40/781441240.db2.gz XINPDCUESQLSLO-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001147393042 781441251 /nfs/dbraw/zinc/44/12/51/781441251.db2.gz XINPDCUESQLSLO-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO CCNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147374126 781441825 /nfs/dbraw/zinc/44/18/25/781441825.db2.gz GVSZBGPDTSOGAZ-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001147446263 781442826 /nfs/dbraw/zinc/44/28/26/781442826.db2.gz PKNLEPJQSAHRIG-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001147422338 781442862 /nfs/dbraw/zinc/44/28/62/781442862.db2.gz JFGCWMCRQLBWAH-WDEREUQCSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001147422408 781443029 /nfs/dbraw/zinc/44/30/29/781443029.db2.gz LKDDFDSDGWEKHU-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422258 781443251 /nfs/dbraw/zinc/44/32/51/781443251.db2.gz HJEYMALFYDIANB-WDEREUQCSA-N 1 1 314.386 -1.415 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455477 781443378 /nfs/dbraw/zinc/44/33/78/781443378.db2.gz KWKFYYCUAAVHEK-WDEREUQCSA-N 1 1 313.354 -1.364 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001147445019 781443427 /nfs/dbraw/zinc/44/34/27/781443427.db2.gz CLFQHOCNENWVOZ-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422672 781443527 /nfs/dbraw/zinc/44/35/27/781443527.db2.gz VNQWSQOVOFQEMI-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422672 781443531 /nfs/dbraw/zinc/44/35/31/781443531.db2.gz VNQWSQOVOFQEMI-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422308 781443949 /nfs/dbraw/zinc/44/39/49/781443949.db2.gz IMJBQBZGBPOWKY-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001147455476 781444354 /nfs/dbraw/zinc/44/43/54/781444354.db2.gz KWKFYYCUAAVHEK-QWRGUYRKSA-N 1 1 313.354 -1.364 20 0 DAADMO C[C@@H](CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2)NC(N)=O ZINC001147547031 781445188 /nfs/dbraw/zinc/44/51/88/781445188.db2.gz OKKDYJQZSDFDFE-UWVGGRQHSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H](CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2)NC(N)=O ZINC001147566220 781447041 /nfs/dbraw/zinc/44/70/41/781447041.db2.gz MEVDHAPKVLDJKY-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnnn3C)C[C@]2(C)C1 ZINC001091639848 781447931 /nfs/dbraw/zinc/44/79/31/781447931.db2.gz MEHCWYFXDQRCHE-YGRLFVJLSA-N 1 1 306.370 -1.045 20 0 DAADMO O=C(Cn1nccn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147625103 781448310 /nfs/dbraw/zinc/44/83/10/781448310.db2.gz ORSWBIHQSCQOCJ-UHFFFAOYSA-N 1 1 309.370 -1.179 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147643963 781449540 /nfs/dbraw/zinc/44/95/40/781449540.db2.gz AQBCFLHWEUOXCF-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O)c1nnnn1C ZINC001147644789 781449624 /nfs/dbraw/zinc/44/96/24/781449624.db2.gz OAPPBFKORXFCNJ-QMMMGPOBSA-N 1 1 324.345 -2.129 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001147669694 781450688 /nfs/dbraw/zinc/45/06/88/781450688.db2.gz JKVFQGBARBQLNC-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2)S(C)(=O)=O ZINC001147665920 781451028 /nfs/dbraw/zinc/45/10/28/781451028.db2.gz XDEJIQJFIHLZHB-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001147670759 781451036 /nfs/dbraw/zinc/45/10/36/781451036.db2.gz ZXEIPTWYINPTFE-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147671686 781451104 /nfs/dbraw/zinc/45/11/04/781451104.db2.gz OWOJPPSUUPPINL-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001147657868 781451116 /nfs/dbraw/zinc/45/11/16/781451116.db2.gz FZHQYFKFHMBJQH-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001147669196 781451220 /nfs/dbraw/zinc/45/12/20/781451220.db2.gz COKGPFAUORNENP-UHFFFAOYSA-N 1 1 311.386 -1.462 20 0 DAADMO O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CCc2[nH]nnc2C1 ZINC001147697359 781454777 /nfs/dbraw/zinc/45/47/77/781454777.db2.gz AGPJNCULVVYALC-SNVBAGLBSA-N 1 1 304.358 -1.093 20 0 DAADMO O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CCc2nn[nH]c2C1 ZINC001147697359 781454783 /nfs/dbraw/zinc/45/47/83/781454783.db2.gz AGPJNCULVVYALC-SNVBAGLBSA-N 1 1 304.358 -1.093 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1)C(=O)NC(N)=O ZINC001147699100 781455750 /nfs/dbraw/zinc/45/57/50/781455750.db2.gz KHCXFPGJUTXTMO-HTQZYQBOSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1)C(=O)NC(N)=O ZINC001147699100 781455756 /nfs/dbraw/zinc/45/57/56/781455756.db2.gz KHCXFPGJUTXTMO-HTQZYQBOSA-N 1 1 323.357 -1.801 20 0 DAADMO O=C(NCC[NH2+]CCn1cncn1)[C@H]1CCc2[nH]nnc2C1 ZINC001147697357 781456089 /nfs/dbraw/zinc/45/60/89/781456089.db2.gz AGPJNCULVVYALC-JTQLQIEISA-N 1 1 304.358 -1.093 20 0 DAADMO O=C(NCC[NH2+]CCn1cncn1)[C@H]1CCc2nn[nH]c2C1 ZINC001147697357 781456096 /nfs/dbraw/zinc/45/60/96/781456096.db2.gz AGPJNCULVVYALC-JTQLQIEISA-N 1 1 304.358 -1.093 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001147798599 781459049 /nfs/dbraw/zinc/45/90/49/781459049.db2.gz AOUBRPSGWNJVOR-UHFFFAOYSA-N 1 1 314.361 -1.258 20 0 DAADMO CCC[N@H+]1CCC2(CN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001147977598 781461317 /nfs/dbraw/zinc/46/13/17/781461317.db2.gz CJZWUZOWSOWXGZ-UHFFFAOYSA-N 1 1 304.416 -1.016 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148045682 781462831 /nfs/dbraw/zinc/46/28/31/781462831.db2.gz PNMYFQAYEIMZGT-VIFPVBQESA-N 1 1 323.353 -2.148 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148045682 781462835 /nfs/dbraw/zinc/46/28/35/781462835.db2.gz PNMYFQAYEIMZGT-VIFPVBQESA-N 1 1 323.353 -2.148 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148046475 781463404 /nfs/dbraw/zinc/46/34/04/781463404.db2.gz ZESICPSXBWMQDT-NWDGAFQWSA-N 1 1 311.382 -1.336 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC001148199569 781464266 /nfs/dbraw/zinc/46/42/66/781464266.db2.gz KHYWVOCQAXSCPG-NSHDSACASA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC001148199569 781464273 /nfs/dbraw/zinc/46/42/73/781464273.db2.gz KHYWVOCQAXSCPG-NSHDSACASA-N 1 1 324.381 -1.699 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001148153144 781464699 /nfs/dbraw/zinc/46/46/99/781464699.db2.gz JBPPBRDJGHUQRN-LLVKDONJSA-N 1 1 322.365 -1.075 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCc1ccco1)C2 ZINC001148199477 781464774 /nfs/dbraw/zinc/46/47/74/781464774.db2.gz GMDIYLKVULZFQD-UHFFFAOYSA-N 1 1 320.349 -1.085 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCc1ccco1)C2 ZINC001148199477 781464779 /nfs/dbraw/zinc/46/47/79/781464779.db2.gz GMDIYLKVULZFQD-UHFFFAOYSA-N 1 1 320.349 -1.085 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC1CCC1)C2 ZINC001148199327 781465026 /nfs/dbraw/zinc/46/50/26/781465026.db2.gz DPQQSOBDEASZOT-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001148199327 781465031 /nfs/dbraw/zinc/46/50/31/781465031.db2.gz DPQQSOBDEASZOT-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)c1ccc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001148165144 781465091 /nfs/dbraw/zinc/46/50/91/781465091.db2.gz CEYSRDIRENFPBH-UHFFFAOYSA-N 1 1 318.341 -1.516 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148182003 781466283 /nfs/dbraw/zinc/46/62/83/781466283.db2.gz ZSUSTSHWWKSCIW-QMMMGPOBSA-N 1 1 311.342 -2.150 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181066 781466489 /nfs/dbraw/zinc/46/64/89/781466489.db2.gz KACDGRNIKUKLKA-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO CCS(=O)(=O)CCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181066 781466490 /nfs/dbraw/zinc/46/64/90/781466490.db2.gz KACDGRNIKUKLKA-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148174213 781466701 /nfs/dbraw/zinc/46/67/01/781466701.db2.gz DKNJFXVFCBYLII-LLVKDONJSA-N 1 1 311.382 -1.207 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148351898 781470214 /nfs/dbraw/zinc/47/02/14/781470214.db2.gz RMXDPTKGTDWVSD-JTQLQIEISA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148350949 781470535 /nfs/dbraw/zinc/47/05/35/781470535.db2.gz GGTWWMAIAOBZGI-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CCC(=O)N1 ZINC001148417470 781471863 /nfs/dbraw/zinc/47/18/63/781471863.db2.gz DODNIODUMQEGNL-VIFPVBQESA-N 1 1 308.342 -1.707 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001148436382 781472380 /nfs/dbraw/zinc/47/23/80/781472380.db2.gz WFJBKYOKZXPYLF-LLVKDONJSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462908 781472663 /nfs/dbraw/zinc/47/26/63/781472663.db2.gz RHFMVQCNRKLQSL-MRVPVSSYSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462908 781472669 /nfs/dbraw/zinc/47/26/69/781472669.db2.gz RHFMVQCNRKLQSL-MRVPVSSYSA-N 1 1 321.341 -1.464 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418331 781472712 /nfs/dbraw/zinc/47/27/12/781472712.db2.gz YOAILLFDAKTWRB-VIFPVBQESA-N 1 1 309.374 -1.088 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148524552 781473642 /nfs/dbraw/zinc/47/36/42/781473642.db2.gz NFGVYTGLIKWMLG-UHFFFAOYSA-N 1 1 309.370 -1.142 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cccnn3)C2)C1 ZINC001148471615 781473803 /nfs/dbraw/zinc/47/38/03/781473803.db2.gz GYQVAYVQHXWDIO-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cccnn3)C2)C1 ZINC001148471615 781473804 /nfs/dbraw/zinc/47/38/04/781473804.db2.gz GYQVAYVQHXWDIO-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148520022 781473855 /nfs/dbraw/zinc/47/38/55/781473855.db2.gz QGHLUHGSBONBCA-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001148568310 781475435 /nfs/dbraw/zinc/47/54/35/781475435.db2.gz QPJNOIYGMCHENE-LLVKDONJSA-N 1 1 309.370 -1.111 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001148568310 781475442 /nfs/dbraw/zinc/47/54/42/781475442.db2.gz QPJNOIYGMCHENE-LLVKDONJSA-N 1 1 309.370 -1.111 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001148568310 781475447 /nfs/dbraw/zinc/47/54/47/781475447.db2.gz QPJNOIYGMCHENE-LLVKDONJSA-N 1 1 309.370 -1.111 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC1 ZINC001148657319 781475490 /nfs/dbraw/zinc/47/54/90/781475490.db2.gz SQJRJPBEGGCRJE-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC1 ZINC001148657319 781475498 /nfs/dbraw/zinc/47/54/98/781475498.db2.gz SQJRJPBEGGCRJE-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC(=O)NCC3CC3)C2)C1 ZINC001148583588 781475911 /nfs/dbraw/zinc/47/59/11/781475911.db2.gz QUTZLBALDKEIMI-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CC(=O)NCC3CC3)C2)C1 ZINC001148583588 781475917 /nfs/dbraw/zinc/47/59/17/781475917.db2.gz QUTZLBALDKEIMI-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148625715 781476343 /nfs/dbraw/zinc/47/63/43/781476343.db2.gz HKQRAVHXZSNVDO-LBPRGKRZSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]12CN(C(=O)CN3CCOCC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001091741457 781476433 /nfs/dbraw/zinc/47/64/33/781476433.db2.gz BKJLKKRWXBORHZ-DOMZBBRYSA-N 1 1 311.382 -1.382 20 0 DAADMO C[C@@H](C(N)=O)N1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605774 781476539 /nfs/dbraw/zinc/47/65/39/781476539.db2.gz UTVMTODTMDCLQV-LBPRGKRZSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@H](C(N)=O)N1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605773 781476737 /nfs/dbraw/zinc/47/67/37/781476737.db2.gz UTVMTODTMDCLQV-GFCCVEGCSA-N 1 1 312.414 -1.027 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2nnnn2C)n1 ZINC001148564321 781476797 /nfs/dbraw/zinc/47/67/97/781476797.db2.gz PJFUGKKXBNYXOV-UHFFFAOYSA-N 1 1 306.330 -2.019 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001148834187 781478168 /nfs/dbraw/zinc/47/81/68/781478168.db2.gz WRJORPLWWXJLLP-UHFFFAOYSA-N 1 1 324.360 -1.102 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099895524 781478189 /nfs/dbraw/zinc/47/81/89/781478189.db2.gz XWEVPVLMVXFESC-GHMZBOCLSA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099895524 781478195 /nfs/dbraw/zinc/47/81/95/781478195.db2.gz XWEVPVLMVXFESC-GHMZBOCLSA-N 1 1 318.349 -2.240 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCOC)C2 ZINC001148784321 781478506 /nfs/dbraw/zinc/47/85/06/781478506.db2.gz SIGMGQFKHIVFNE-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO Cn1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148748352 781478515 /nfs/dbraw/zinc/47/85/15/781478515.db2.gz OWQDNBWEIPXXDH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1ccc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148748352 781478522 /nfs/dbraw/zinc/47/85/22/781478522.db2.gz OWQDNBWEIPXXDH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001091748266 781478560 /nfs/dbraw/zinc/47/85/60/781478560.db2.gz IDIYPCVTSQANQW-BFVZDQMLSA-N 1 1 310.354 -1.643 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148726767 781478600 /nfs/dbraw/zinc/47/86/00/781478600.db2.gz URKGCNLTYPBAAA-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148726767 781478604 /nfs/dbraw/zinc/47/86/04/781478604.db2.gz URKGCNLTYPBAAA-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148742835 781478623 /nfs/dbraw/zinc/47/86/23/781478623.db2.gz CSPKGRNACPUCHQ-UHFFFAOYSA-N 1 1 314.386 -1.412 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001148783179 781478689 /nfs/dbraw/zinc/47/86/89/781478689.db2.gz BLFNGUQMEUXOQK-JTQLQIEISA-N 1 1 305.400 -1.549 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149489311 781479894 /nfs/dbraw/zinc/47/98/94/781479894.db2.gz ILBSQNZMPUEJOR-VHSXEESVSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149489311 781479904 /nfs/dbraw/zinc/47/99/04/781479904.db2.gz ILBSQNZMPUEJOR-VHSXEESVSA-N 1 1 300.359 -1.667 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148950001 781480125 /nfs/dbraw/zinc/48/01/25/781480125.db2.gz GCVRASXIPNHTDD-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148950001 781480135 /nfs/dbraw/zinc/48/01/35/781480135.db2.gz GCVRASXIPNHTDD-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091759805 781480373 /nfs/dbraw/zinc/48/03/73/781480373.db2.gz LSADTXNWZIRSNE-HFAKWTLXSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098344111 781484279 /nfs/dbraw/zinc/48/42/79/781484279.db2.gz YVPWIPWBXLZNSM-ZDCRXTMVSA-N 1 1 310.354 -1.360 20 0 DAADMO Cn1cc([C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2[NH2+]CCO)cn1 ZINC001087005021 781485112 /nfs/dbraw/zinc/48/51/12/781485112.db2.gz IMIVLPOCLOMQGM-NWDGAFQWSA-N 1 1 319.369 -1.343 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2ccn(C)n2)c(=O)n1C ZINC001149577408 781486259 /nfs/dbraw/zinc/48/62/59/781486259.db2.gz ZOMHOPRFFLJLII-UHFFFAOYSA-N 1 1 307.358 -1.470 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)c1=O ZINC001091804256 781486278 /nfs/dbraw/zinc/48/62/78/781486278.db2.gz WRCHSKOZQATNIU-RISCZKNCSA-N 1 1 309.370 -1.646 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@]2(C)C1 ZINC001091930614 781487105 /nfs/dbraw/zinc/48/71/05/781487105.db2.gz LRQWOBZHDRNBEJ-WQGACYEGSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@]12CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091960759 781487178 /nfs/dbraw/zinc/48/71/78/781487178.db2.gz NYIGBEDOVQCZSB-OTYXRUKQSA-N 1 1 305.338 -1.351 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929659 781487205 /nfs/dbraw/zinc/48/72/05/781487205.db2.gz UFUBPLZLSZBWNV-RWEMILLDSA-N 1 1 307.358 -1.522 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 ZINC001091804318 781487242 /nfs/dbraw/zinc/48/72/42/781487242.db2.gz ZSBLZWFXGPSOHJ-ZOWXZIJZSA-N 1 1 323.397 -1.257 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 ZINC001091912697 781487319 /nfs/dbraw/zinc/48/73/19/781487319.db2.gz HQURXANBTUGTPX-ZENOOKHLSA-N 1 1 324.425 -1.421 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)ncc1=O ZINC001091869078 781487337 /nfs/dbraw/zinc/48/73/37/781487337.db2.gz LBHNMPWQMIPGET-BMIGLBTASA-N 1 1 319.365 -1.341 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@]2(C)C1 ZINC001091930613 781487524 /nfs/dbraw/zinc/48/75/24/781487524.db2.gz LRQWOBZHDRNBEJ-HSMVNMDESA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001091968435 781488552 /nfs/dbraw/zinc/48/85/52/781488552.db2.gz ROLHLSYWEVOULY-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 ZINC001092106472 781488581 /nfs/dbraw/zinc/48/85/81/781488581.db2.gz AYTZOKJDMFERRR-HFAKWTLXSA-N 1 1 324.381 -1.301 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001091973817 781488628 /nfs/dbraw/zinc/48/86/28/781488628.db2.gz GDWNEAKSPLALAM-JMSVASOKSA-N 1 1 321.381 -1.490 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 ZINC001092017675 781488682 /nfs/dbraw/zinc/48/86/82/781488682.db2.gz NBCVPIWKLRZDTP-OZWUEAAUSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 ZINC001091970035 781488740 /nfs/dbraw/zinc/48/87/40/781488740.db2.gz CVMGLXVGZWXREE-RBZYPMLTSA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092055382 781488865 /nfs/dbraw/zinc/48/88/65/781488865.db2.gz HLJXYAGYEOPJGP-BFVZDQMLSA-N 1 1 310.354 -1.643 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001091968155 781489301 /nfs/dbraw/zinc/48/93/01/781489301.db2.gz KYTQVIBZRKIJIF-ABAIWWIYSA-N 1 1 324.381 -1.889 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092055860 781489472 /nfs/dbraw/zinc/48/94/72/781489472.db2.gz YKMRCEBWYCSDBC-ZETOZRRWSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@]2(C)C1 ZINC001092130061 781490668 /nfs/dbraw/zinc/49/06/68/781490668.db2.gz PVSQLLVUXQFBSW-GYSYKLTISA-N 1 1 321.385 -1.283 20 0 DAADMO Cc1cc(N2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001092147239 781491578 /nfs/dbraw/zinc/49/15/78/781491578.db2.gz BSXXUZSROBGYJW-GHMZBOCLSA-N 1 1 322.369 -1.182 20 0 DAADMO C[C@]12CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092140136 781494985 /nfs/dbraw/zinc/49/49/85/781494985.db2.gz XCGIFLIDTLUZOE-BMIGLBTASA-N 1 1 319.365 -1.007 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099909740 781495608 /nfs/dbraw/zinc/49/56/08/781495608.db2.gz WXHHMHIEEJECHZ-WDEREUQCSA-N 1 1 313.354 -1.931 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092282540 781495638 /nfs/dbraw/zinc/49/56/38/781495638.db2.gz YXZROYSUJCGHBQ-MDZLAQPJSA-N 1 1 317.411 -1.549 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@]2(C)C1 ZINC001092213328 781495977 /nfs/dbraw/zinc/49/59/77/781495977.db2.gz CBENVGUFYGDRAD-ZETOZRRWSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092348293 781496104 /nfs/dbraw/zinc/49/61/04/781496104.db2.gz SRPRQVHBQABCEL-SNVBAGLBSA-N 1 1 318.341 -1.866 20 0 DAADMO C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001092256174 781496240 /nfs/dbraw/zinc/49/62/40/781496240.db2.gz ISISXFRRHXOLEK-JMSVASOKSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CCC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092262050 781496419 /nfs/dbraw/zinc/49/64/19/781496419.db2.gz DZSQEZOJNNAJIN-ABAIWWIYSA-N 1 1 309.366 -1.092 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CCC(=O)N1 ZINC001092356024 781496459 /nfs/dbraw/zinc/49/64/59/781496459.db2.gz FSTGYVQLFPPSFP-MNOVXSKESA-N 1 1 319.365 -1.274 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)c(=O)[nH]c1=O ZINC001092270216 781496561 /nfs/dbraw/zinc/49/65/61/781496561.db2.gz FXKGVFSARIOHPU-BMIGLBTASA-N 1 1 322.365 -1.128 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092331215 781496663 /nfs/dbraw/zinc/49/66/63/781496663.db2.gz VNTZIUIZRNMRJZ-RWSFTLGLSA-N 1 1 309.366 -1.188 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC001092260169 781496745 /nfs/dbraw/zinc/49/67/45/781496745.db2.gz OOFPZDHLRHBLTC-RWSFTLGLSA-N 1 1 324.381 -1.301 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1COCCO1 ZINC001092353518 781497105 /nfs/dbraw/zinc/49/71/05/781497105.db2.gz XYWAKSSIORVIHF-VXGBXAGGSA-N 1 1 322.365 -1.137 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1COC(=O)N1 ZINC001092364978 781498198 /nfs/dbraw/zinc/49/81/98/781498198.db2.gz AEAZCODQTIFFKA-VHSXEESVSA-N 1 1 321.337 -1.444 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092392301 781498322 /nfs/dbraw/zinc/49/83/22/781498322.db2.gz FNUGXPMTCMAIMZ-VWYCJHECSA-N 1 1 319.365 -1.431 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CNC(=O)N1 ZINC001092390882 781498648 /nfs/dbraw/zinc/49/86/48/781498648.db2.gz IIXDDQZWZARFKK-NXEZZACHSA-N 1 1 320.353 -1.871 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1COC(=O)N1 ZINC001092364977 781498898 /nfs/dbraw/zinc/49/88/98/781498898.db2.gz AEAZCODQTIFFKA-UWVGGRQHSA-N 1 1 321.337 -1.444 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092370496 781498947 /nfs/dbraw/zinc/49/89/47/781498947.db2.gz OUKSQNBJDZCYDZ-SNVBAGLBSA-N 1 1 318.341 -1.866 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](C)C1 ZINC001092568059 781499742 /nfs/dbraw/zinc/49/97/42/781499742.db2.gz HKTLJIZYMHCIFS-ZYHUDNBSSA-N 1 1 310.398 -1.105 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001092754101 781500087 /nfs/dbraw/zinc/50/00/87/781500087.db2.gz ILPRXDCRUFHAGB-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCCN2C)[C@H](C)C1 ZINC001092555665 781500928 /nfs/dbraw/zinc/50/09/28/781500928.db2.gz TWTFIUIDOBGTMP-JHJVBQTASA-N 1 1 312.414 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@H](C)C1 ZINC001092537000 781501117 /nfs/dbraw/zinc/50/11/17/781501117.db2.gz SFCLAUBBERRDAZ-GRYCIOLGSA-N 1 1 310.398 -1.057 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)nn1 ZINC001092602728 781501425 /nfs/dbraw/zinc/50/14/25/781501425.db2.gz LWHOASGKEXCDFB-GHMZBOCLSA-N 1 1 324.385 -1.293 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001092577299 781501494 /nfs/dbraw/zinc/50/14/94/781501494.db2.gz LJPYJADUVBNJTI-GMTAPVOTSA-N 1 1 312.370 -1.133 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC001092766560 781501540 /nfs/dbraw/zinc/50/15/40/781501540.db2.gz GZUBAGLCGDNUHI-FXPVBKGRSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001092766560 781501545 /nfs/dbraw/zinc/50/15/45/781501545.db2.gz GZUBAGLCGDNUHI-FXPVBKGRSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001092766560 781501552 /nfs/dbraw/zinc/50/15/52/781501552.db2.gz GZUBAGLCGDNUHI-FXPVBKGRSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001092841162 781501843 /nfs/dbraw/zinc/50/18/43/781501843.db2.gz CICUCABROAKOGY-NXEZZACHSA-N 1 1 307.354 -1.437 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893642 781502258 /nfs/dbraw/zinc/50/22/58/781502258.db2.gz XJDHBSLSQOMSDJ-OPRDCNLKSA-N 1 1 307.358 -1.604 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001092886477 781502491 /nfs/dbraw/zinc/50/24/91/781502491.db2.gz TXSDWNLALOZUHK-MXWKQRLJSA-N 1 1 311.386 -1.560 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893237 781502582 /nfs/dbraw/zinc/50/25/82/781502582.db2.gz NUROHCNFCSAEBJ-NXEZZACHSA-N 1 1 309.374 -1.404 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149680522 781502928 /nfs/dbraw/zinc/50/29/28/781502928.db2.gz BFYXTSDQOFDBDT-LLVKDONJSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149680523 781503035 /nfs/dbraw/zinc/50/30/35/781503035.db2.gz BFYXTSDQOFDBDT-NSHDSACASA-N 1 1 302.375 -1.495 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC001092918170 781503177 /nfs/dbraw/zinc/50/31/77/781503177.db2.gz BTTMKKNFLAPPOK-KXUCPTDWSA-N 1 1 307.354 -1.059 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC001092918136 781503475 /nfs/dbraw/zinc/50/34/75/781503475.db2.gz ABXJOYZRYPTNPM-NXEZZACHSA-N 1 1 307.354 -1.186 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893581 781503550 /nfs/dbraw/zinc/50/35/50/781503550.db2.gz UJPJKXWWDMJDRQ-GMTAPVOTSA-N 1 1 321.385 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092892928 781503667 /nfs/dbraw/zinc/50/36/67/781503667.db2.gz JMGQNIXOYLWOEW-BBBLOLIVSA-N 1 1 309.374 -1.228 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927638 781503717 /nfs/dbraw/zinc/50/37/17/781503717.db2.gz VDPHONKUDSNDHP-UTUOFQBUSA-N 1 1 321.385 -1.356 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927946 781504535 /nfs/dbraw/zinc/50/45/35/781504535.db2.gz GMGDXTKGUGWDSP-GMTAPVOTSA-N 1 1 311.386 -1.560 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098351479 781504879 /nfs/dbraw/zinc/50/48/79/781504879.db2.gz RKGAODMSMLGPHJ-VIFPVBQESA-N 1 1 315.374 -2.186 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001093064505 781505524 /nfs/dbraw/zinc/50/55/24/781505524.db2.gz MIDOAWKDFIKPAZ-OPRDCNLKSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001093064505 781505527 /nfs/dbraw/zinc/50/55/27/781505527.db2.gz MIDOAWKDFIKPAZ-OPRDCNLKSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001093064505 781505530 /nfs/dbraw/zinc/50/55/30/781505530.db2.gz MIDOAWKDFIKPAZ-OPRDCNLKSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064505 781505532 /nfs/dbraw/zinc/50/55/32/781505532.db2.gz MIDOAWKDFIKPAZ-OPRDCNLKSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064505 781505535 /nfs/dbraw/zinc/50/55/35/781505535.db2.gz MIDOAWKDFIKPAZ-OPRDCNLKSA-N 1 1 320.353 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC001093178383 781506868 /nfs/dbraw/zinc/50/68/68/781506868.db2.gz BCCGTGPSYPCENS-GHMZBOCLSA-N 1 1 321.381 -1.176 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001093184693 781506988 /nfs/dbraw/zinc/50/69/88/781506988.db2.gz UEAGGMRTHWGASY-RKDXNWHRSA-N 1 1 320.353 -1.642 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001093209843 781507295 /nfs/dbraw/zinc/50/72/95/781507295.db2.gz JAVNQMIFFMFHSI-BNOWGMLFSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001093266066 781509216 /nfs/dbraw/zinc/50/92/16/781509216.db2.gz LGFWDRZAAYGFIO-MWLCHTKSSA-N 1 1 319.365 -1.037 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093544018 781513682 /nfs/dbraw/zinc/51/36/82/781513682.db2.gz ZEQJZEOHTWDWLQ-SECBINFHSA-N 1 1 306.330 -1.622 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093544018 781513686 /nfs/dbraw/zinc/51/36/86/781513686.db2.gz ZEQJZEOHTWDWLQ-SECBINFHSA-N 1 1 306.330 -1.622 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093544019 781513808 /nfs/dbraw/zinc/51/38/08/781513808.db2.gz ZEQJZEOHTWDWLQ-VIFPVBQESA-N 1 1 306.330 -1.622 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093544019 781513813 /nfs/dbraw/zinc/51/38/13/781513813.db2.gz ZEQJZEOHTWDWLQ-VIFPVBQESA-N 1 1 306.330 -1.622 20 0 DAADMO C[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001093536660 781514155 /nfs/dbraw/zinc/51/41/55/781514155.db2.gz NPSSNPRGEJGJEZ-LLVKDONJSA-N 1 1 324.385 -1.254 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149763270 781516492 /nfs/dbraw/zinc/51/64/92/781516492.db2.gz IUYZJDLJGDNFCK-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149763268 781517567 /nfs/dbraw/zinc/51/75/67/781517567.db2.gz IUYZJDLJGDNFCK-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093654589 781518572 /nfs/dbraw/zinc/51/85/72/781518572.db2.gz GTCWBRXOKGVYFU-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093654589 781518606 /nfs/dbraw/zinc/51/86/06/781518606.db2.gz GTCWBRXOKGVYFU-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNc1nccn2nnnc12 ZINC001093732167 781520687 /nfs/dbraw/zinc/52/06/87/781520687.db2.gz CWJSQTSWXFGJRQ-UHFFFAOYSA-N 1 1 320.357 -1.230 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCOC)CCCO1 ZINC001149817430 781524911 /nfs/dbraw/zinc/52/49/11/781524911.db2.gz PPABTDCGKVVJFK-NSHDSACASA-N 1 1 302.375 -1.231 20 0 DAADMO CC(C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001094315473 781537844 /nfs/dbraw/zinc/53/78/44/781537844.db2.gz OSWOZRBTEBZKII-NSHDSACASA-N 1 1 307.358 -1.159 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001094309908 781538087 /nfs/dbraw/zinc/53/80/87/781538087.db2.gz WSZVRBQBQAHSKF-JOYOIKCWSA-N 1 1 322.369 -1.732 20 0 DAADMO CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001094315681 781539151 /nfs/dbraw/zinc/53/91/51/781539151.db2.gz XQXNQGGFJIHZJO-LLVKDONJSA-N 1 1 307.358 -1.158 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC001094288233 781540132 /nfs/dbraw/zinc/54/01/32/781540132.db2.gz KAUWVMRYJZIKDF-VIFPVBQESA-N 1 1 320.357 -1.426 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 ZINC001094319009 781540158 /nfs/dbraw/zinc/54/01/58/781540158.db2.gz KLXCRCNVTJRTDD-AXTRIDKLSA-N 1 1 322.369 -1.747 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)C3CC(=O)NC(=O)C3)nn2)C1 ZINC001094326795 781541827 /nfs/dbraw/zinc/54/18/27/781541827.db2.gz NKYHPSYYYQCUBQ-UHFFFAOYSA-N 1 1 320.353 -1.176 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)c1cnon1 ZINC001094327924 781541891 /nfs/dbraw/zinc/54/18/91/781541891.db2.gz UBJGMQHFURRJTA-UHFFFAOYSA-N 1 1 307.314 -1.170 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1csnn1 ZINC001099934902 781543064 /nfs/dbraw/zinc/54/30/64/781543064.db2.gz FQNXXNXOPUFRMB-ONGXEEELSA-N 1 1 316.383 -1.288 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNc2ccc3nnnn3n2)C1 ZINC001094349053 781543121 /nfs/dbraw/zinc/54/31/21/781543121.db2.gz FDEVFXHQEDRBSY-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNc2ccc3nnnn3n2)C1 ZINC001094349053 781543125 /nfs/dbraw/zinc/54/31/25/781543125.db2.gz FDEVFXHQEDRBSY-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3COC(=O)N3)CCC[C@@H]12 ZINC001094407550 781543884 /nfs/dbraw/zinc/54/38/84/781543884.db2.gz RUYGHKKKHLLGBU-IMSIIYSGSA-N 1 1 310.354 -1.059 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099935462 781545126 /nfs/dbraw/zinc/54/51/26/781545126.db2.gz OEYHDIDPKIDRHW-VXGBXAGGSA-N 1 1 311.386 -1.068 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935426 781545501 /nfs/dbraw/zinc/54/55/01/781545501.db2.gz NQSNHTBQYXDZCL-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935426 781545509 /nfs/dbraw/zinc/54/55/09/781545509.db2.gz NQSNHTBQYXDZCL-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn[nH]c3)CC2=O)C1 ZINC001094707884 781550290 /nfs/dbraw/zinc/55/02/90/781550290.db2.gz QKNHMMLKQIWXAW-GXSJLCMTSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 ZINC001094712322 781551225 /nfs/dbraw/zinc/55/12/25/781551225.db2.gz VFHBSHNVPUJQRH-WDEREUQCSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094711299 781551316 /nfs/dbraw/zinc/55/13/16/781551316.db2.gz CWTYLMRBHVSTCB-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094714377 781552828 /nfs/dbraw/zinc/55/28/28/781552828.db2.gz VWSFGKAVFDUWSS-ZYHUDNBSSA-N 1 1 323.397 -2.033 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCOC1 ZINC001094713973 781552897 /nfs/dbraw/zinc/55/28/97/781552897.db2.gz NBDYWJMLBFVANE-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 ZINC001094713841 781553155 /nfs/dbraw/zinc/55/31/55/781553155.db2.gz JVOITRADMBXGNL-JSGCOSHPSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 ZINC001094721901 781554035 /nfs/dbraw/zinc/55/40/35/781554035.db2.gz MVJOKWJGHNVMTM-WDEREUQCSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 ZINC001094698501 781557749 /nfs/dbraw/zinc/55/77/49/781557749.db2.gz DXRVVAHZSLPMGD-GHMZBOCLSA-N 1 1 319.365 -1.128 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094704920 781558455 /nfs/dbraw/zinc/55/84/55/781558455.db2.gz FWMQZQPKTQYGOI-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094706127 781559020 /nfs/dbraw/zinc/55/90/20/781559020.db2.gz WSMHMQGUJYHILJ-NWDGAFQWSA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094706129 781559225 /nfs/dbraw/zinc/55/92/25/781559225.db2.gz WSMHMQGUJYHILJ-VXGBXAGGSA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 ZINC001094726016 781559820 /nfs/dbraw/zinc/55/98/20/781559820.db2.gz CJQNXHFPCTYQDH-ZYHUDNBSSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3COCCN3C)CC2=O)C1 ZINC001094722900 781560292 /nfs/dbraw/zinc/56/02/92/781560292.db2.gz YSXGSYMZIPEGAX-WCQYABFASA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 ZINC001094726014 781560920 /nfs/dbraw/zinc/56/09/20/781560920.db2.gz CJQNXHFPCTYQDH-JQWIXIFHSA-N 1 1 319.365 -1.128 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094728705 781562108 /nfs/dbraw/zinc/56/21/08/781562108.db2.gz ZTCOVGNTCLGFDR-SNVBAGLBSA-N 1 1 322.369 -1.205 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2=O)C1 ZINC001094746146 781566114 /nfs/dbraw/zinc/56/61/14/781566114.db2.gz SHEZAJWOZTWSCL-SCZZXKLOSA-N 1 1 323.353 -1.994 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)CC2=O)C1 ZINC001094747232 781566811 /nfs/dbraw/zinc/56/68/11/781566811.db2.gz NCQVBBSBBZEBFB-JTQLQIEISA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094751911 781567579 /nfs/dbraw/zinc/56/75/79/781567579.db2.gz ZECFIMHZTHWAHF-TZMCWYRMSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 ZINC001094754150 781568528 /nfs/dbraw/zinc/56/85/28/781568528.db2.gz ZSPBSLPFBYIPGO-MNOVXSKESA-N 1 1 321.381 -1.184 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)c3cc(=O)n(C)cn3)CC2=O)C1 ZINC001094747233 781568579 /nfs/dbraw/zinc/56/85/79/781568579.db2.gz NCQVBBSBBZEBFB-SNVBAGLBSA-N 1 1 319.365 -1.185 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094756888 781569547 /nfs/dbraw/zinc/56/95/47/781569547.db2.gz MNEPGZVAFXXWDU-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094799859 781569734 /nfs/dbraw/zinc/56/97/34/781569734.db2.gz RYLNUDMARLATEP-RKDXNWHRSA-N 1 1 309.326 -1.535 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001094770953 781571277 /nfs/dbraw/zinc/57/12/77/781571277.db2.gz FHCCRZWDAGYTJT-PBOSXPJTSA-N 1 1 323.393 -1.338 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094771345 781571300 /nfs/dbraw/zinc/57/13/00/781571300.db2.gz JHBARHYLIVOGCY-CMPLNLGQSA-N 1 1 308.382 -1.068 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768398 781571485 /nfs/dbraw/zinc/57/14/85/781571485.db2.gz SWIMDRSHOAETMR-JQWIXIFHSA-N 1 1 323.397 -1.180 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2=O)C1 ZINC001094776803 781572220 /nfs/dbraw/zinc/57/22/20/781572220.db2.gz GPNTYSZKVUXLHR-KOLCDFICSA-N 1 1 309.370 -1.523 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 ZINC001094771904 781572356 /nfs/dbraw/zinc/57/23/56/781572356.db2.gz NIYCMTOTWGDAGL-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773602 781573005 /nfs/dbraw/zinc/57/30/05/781573005.db2.gz FGRFVDYLZFKTJC-BDAKNGLRSA-N 1 1 323.357 -2.394 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094772555 781573138 /nfs/dbraw/zinc/57/31/38/781573138.db2.gz XJMOVFQFSFTXIU-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2=O)C1 ZINC001094777173 781573455 /nfs/dbraw/zinc/57/34/55/781573455.db2.gz PJYQYKGKLIQGDR-KOLCDFICSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777886 781573903 /nfs/dbraw/zinc/57/39/03/781573903.db2.gz DWSQIOLRJGKOLH-CMPLNLGQSA-N 1 1 322.365 -1.001 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)CC2=O)C1 ZINC001094778979 781575246 /nfs/dbraw/zinc/57/52/46/781575246.db2.gz QVNISTIVHZATFE-VIFPVBQESA-N 1 1 305.338 -1.195 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783594 781576119 /nfs/dbraw/zinc/57/61/19/781576119.db2.gz SONVERJPOLZQLG-BMIGLBTASA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001094780634 781576879 /nfs/dbraw/zinc/57/68/79/781576879.db2.gz ZRBDQCQWZSKHBX-CMPLNLGQSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001094780636 781576981 /nfs/dbraw/zinc/57/69/81/781576981.db2.gz ZRBDQCQWZSKHBX-JQWIXIFHSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3c[nH]cn3)CC2=O)C1 ZINC001094794709 781578527 /nfs/dbraw/zinc/57/85/27/781578527.db2.gz ZVTNAPAEPHPNJY-PWSUYJOCSA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094795573 781578554 /nfs/dbraw/zinc/57/85/54/781578554.db2.gz SPBWMNXCONKXGP-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795388 781578850 /nfs/dbraw/zinc/57/88/50/781578850.db2.gz NZQFAUVURHTXIQ-VHSXEESVSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094814162 781580079 /nfs/dbraw/zinc/58/00/79/781580079.db2.gz AHROSEYRQQQJBQ-QWRGUYRKSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cncn3)CC2=O)C1 ZINC001094813894 781581194 /nfs/dbraw/zinc/58/11/94/781581194.db2.gz UROUISNFPJICPN-MNOVXSKESA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 ZINC001094803190 781581858 /nfs/dbraw/zinc/58/18/58/781581858.db2.gz IXTZURYHUOEVQZ-GHMZBOCLSA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 ZINC001094803191 781582057 /nfs/dbraw/zinc/58/20/57/781582057.db2.gz IXTZURYHUOEVQZ-MNOVXSKESA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 ZINC001094804148 781582424 /nfs/dbraw/zinc/58/24/24/781582424.db2.gz UOUBUSAIPNFLLO-MNOVXSKESA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094804301 781582683 /nfs/dbraw/zinc/58/26/83/781582683.db2.gz UVQNAZMTSCWUBG-WDEREUQCSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094826093 781583890 /nfs/dbraw/zinc/58/38/90/781583890.db2.gz ZQQUTNXSGHBOGL-NXEZZACHSA-N 1 1 322.365 -1.540 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094822338 781584507 /nfs/dbraw/zinc/58/45/07/781584507.db2.gz DSPKXHRVBRPYIH-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001094809991 781584519 /nfs/dbraw/zinc/58/45/19/781584519.db2.gz SYKDUOGUGSSRHM-PWSUYJOCSA-N 1 1 324.381 -1.951 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)CC2=O)C1 ZINC001094820994 781584584 /nfs/dbraw/zinc/58/45/84/781584584.db2.gz MMCAJTDPWFKOIM-PWSUYJOCSA-N 1 1 323.397 -1.049 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936816 781585631 /nfs/dbraw/zinc/58/56/31/781585631.db2.gz FBRVYMGLBWKLBX-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110747 781590215 /nfs/dbraw/zinc/59/02/15/781590215.db2.gz OJIVZDTXVVXDIY-ZWXHQPAFSA-N 1 1 316.398 -1.609 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158573 781593849 /nfs/dbraw/zinc/59/38/49/781593849.db2.gz VMCBEUXFSQLISU-VWYCJHECSA-N 1 1 307.358 -1.517 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158573 781593853 /nfs/dbraw/zinc/59/38/53/781593853.db2.gz VMCBEUXFSQLISU-VWYCJHECSA-N 1 1 307.358 -1.517 20 0 DAADMO COCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001150194643 781595594 /nfs/dbraw/zinc/59/55/94/781595594.db2.gz UYKOQAGKTAZSST-RYUDHWBXSA-N 1 1 314.386 -1.089 20 0 DAADMO COCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001150194642 781595679 /nfs/dbraw/zinc/59/56/79/781595679.db2.gz UYKOQAGKTAZSST-NWDGAFQWSA-N 1 1 314.386 -1.089 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)nc1 ZINC001150332414 781597061 /nfs/dbraw/zinc/59/70/61/781597061.db2.gz TTZZUNHETFNDPK-UHFFFAOYSA-N 1 1 306.326 -1.457 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001150255385 781597194 /nfs/dbraw/zinc/59/71/94/781597194.db2.gz ZOKHYNDMNNSKHM-QWRGUYRKSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001150255385 781597200 /nfs/dbraw/zinc/59/72/00/781597200.db2.gz ZOKHYNDMNNSKHM-QWRGUYRKSA-N 1 1 324.381 -1.653 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115050088 781598062 /nfs/dbraw/zinc/59/80/62/781598062.db2.gz PZQIHVKAQLKKKP-GDGBQDQQSA-N 1 1 318.399 -2.200 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115050088 781598069 /nfs/dbraw/zinc/59/80/69/781598069.db2.gz PZQIHVKAQLKKKP-GDGBQDQQSA-N 1 1 318.399 -2.200 20 0 DAADMO NC(=O)NCCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001150424585 781601910 /nfs/dbraw/zinc/60/19/10/781601910.db2.gz UTIJBBKLYPFPGF-UHFFFAOYSA-N 1 1 301.326 -1.488 20 0 DAADMO NC(=O)NCCC(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001150424265 781602526 /nfs/dbraw/zinc/60/25/26/781602526.db2.gz PDCWHOBNXHIZKD-UHFFFAOYSA-N 1 1 309.374 -1.121 20 0 DAADMO COc1cccc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001175357603 781604641 /nfs/dbraw/zinc/60/46/41/781604641.db2.gz INNHHLNIVRKIMY-HZSPNIEDSA-N 1 1 306.370 -1.458 20 0 DAADMO COC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115053745 781605044 /nfs/dbraw/zinc/60/50/44/781605044.db2.gz SVWLEWBLWPAQAF-DNJQJEMRSA-N 1 1 312.370 -1.100 20 0 DAADMO COC[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115053745 781605050 /nfs/dbraw/zinc/60/50/50/781605050.db2.gz SVWLEWBLWPAQAF-DNJQJEMRSA-N 1 1 312.370 -1.100 20 0 DAADMO NS(=O)(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001175220071 781605250 /nfs/dbraw/zinc/60/52/50/781605250.db2.gz PKTBPRJOOCZTLV-UHFFFAOYSA-N 1 1 305.360 -2.204 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2C(=O)CN(C)C2=O)o1 ZINC001175549277 781605874 /nfs/dbraw/zinc/60/58/74/781605874.db2.gz IWXCYBPBIXPIEI-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO COc1cccnc1CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001175513347 781606399 /nfs/dbraw/zinc/60/63/99/781606399.db2.gz XPHQOYOZNKYYSE-IHRRRGAJSA-N 1 1 306.370 -1.458 20 0 DAADMO COc1cccnc1CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001175513346 781606872 /nfs/dbraw/zinc/60/68/72/781606872.db2.gz XPHQOYOZNKYYSE-HZSPNIEDSA-N 1 1 306.370 -1.458 20 0 DAADMO COC(=O)C1=NO[C@@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001175503111 781607030 /nfs/dbraw/zinc/60/70/30/781607030.db2.gz IDLWWERABMIIIJ-ZDUSSCGKSA-N 1 1 310.310 -1.068 20 0 DAADMO COC(=O)C1=NO[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001175503111 781607035 /nfs/dbraw/zinc/60/70/35/781607035.db2.gz IDLWWERABMIIIJ-ZDUSSCGKSA-N 1 1 310.310 -1.068 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)o1 ZINC001175574853 781608713 /nfs/dbraw/zinc/60/87/13/781608713.db2.gz DNPJRVYNPHJZEM-VIFPVBQESA-N 1 1 324.341 -1.038 20 0 DAADMO COc1cncc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001175835290 781611744 /nfs/dbraw/zinc/61/17/44/781611744.db2.gz DGTSRXQBOZZFBE-HZSPNIEDSA-N 1 1 306.370 -1.458 20 0 DAADMO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1ncn[nH]1 ZINC001175762107 781612390 /nfs/dbraw/zinc/61/23/90/781612390.db2.gz SNIDZZZZHPLKJI-QMMMGPOBSA-N 1 1 311.346 -1.122 20 0 DAADMO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1nc[nH]n1 ZINC001175762107 781612394 /nfs/dbraw/zinc/61/23/94/781612394.db2.gz SNIDZZZZHPLKJI-QMMMGPOBSA-N 1 1 311.346 -1.122 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CCCN1C(=O)CNC1=O ZINC001150532637 781612499 /nfs/dbraw/zinc/61/24/99/781612499.db2.gz CXKINJBSUBMWFZ-UHFFFAOYSA-N 1 1 322.369 -1.042 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176162798 781614137 /nfs/dbraw/zinc/61/41/37/781614137.db2.gz ZYLVMBZMCYVENW-NEPJUHHUSA-N 1 1 300.403 -1.076 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176153112 781614158 /nfs/dbraw/zinc/61/41/58/781614158.db2.gz PENMPQQKJICSQY-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176153114 781614236 /nfs/dbraw/zinc/61/42/36/781614236.db2.gz PENMPQQKJICSQY-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(NCCC[NH2+]Cc1csnn1)[C@H]1CCS(=O)(=O)N1 ZINC001176288402 781615180 /nfs/dbraw/zinc/61/51/80/781615180.db2.gz HQSJQWUUWNKPMJ-SECBINFHSA-N 1 1 319.412 -1.174 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001176279240 781615224 /nfs/dbraw/zinc/61/52/24/781615224.db2.gz YWTTWJZUKMYIJN-SECBINFHSA-N 1 1 317.371 -1.334 20 0 DAADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001176381388 781617242 /nfs/dbraw/zinc/61/72/42/781617242.db2.gz WUODXRBCFJWKKJ-LLVKDONJSA-N 1 1 303.326 -1.068 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)CS(=O)(=O)NC)n1 ZINC001176342257 781618015 /nfs/dbraw/zinc/61/80/15/781618015.db2.gz HTFPFYXITXKHCC-UHFFFAOYSA-N 1 1 319.387 -1.223 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cnsn1 ZINC001176336822 781618455 /nfs/dbraw/zinc/61/84/55/781618455.db2.gz UBSSYGZAILSGAG-UHFFFAOYSA-N 1 1 307.401 -1.317 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150578951 781618556 /nfs/dbraw/zinc/61/85/56/781618556.db2.gz HHKGNMXGUWEJMS-GHMZBOCLSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150578951 781618564 /nfs/dbraw/zinc/61/85/64/781618564.db2.gz HHKGNMXGUWEJMS-GHMZBOCLSA-N 1 1 322.369 -1.557 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCNCc2nnn(C)n2)C1 ZINC001176635291 781620457 /nfs/dbraw/zinc/62/04/57/781620457.db2.gz AGACXAOCGUQJJX-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCNCc2nnn(C)n2)C1 ZINC001176635291 781620464 /nfs/dbraw/zinc/62/04/64/781620464.db2.gz AGACXAOCGUQJJX-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1=O ZINC001176534663 781620994 /nfs/dbraw/zinc/62/09/94/781620994.db2.gz ZYVRBHYAAMFOIR-WDEREUQCSA-N 1 1 324.381 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCNCc2nnn(C)n2)C1 ZINC001176635290 781621093 /nfs/dbraw/zinc/62/10/93/781621093.db2.gz AGACXAOCGUQJJX-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCNCc2nnn(C)n2)C1 ZINC001176635290 781621102 /nfs/dbraw/zinc/62/11/02/781621102.db2.gz AGACXAOCGUQJJX-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001176644093 781622498 /nfs/dbraw/zinc/62/24/98/781622498.db2.gz LRZNZOISOMMEEE-SNVBAGLBSA-N 1 1 312.374 -1.173 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001176644093 781622508 /nfs/dbraw/zinc/62/25/08/781622508.db2.gz LRZNZOISOMMEEE-SNVBAGLBSA-N 1 1 312.374 -1.173 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907475 781626183 /nfs/dbraw/zinc/62/61/83/781626183.db2.gz QJRBQLULBNGLCR-QWRGUYRKSA-N 1 1 300.359 -1.397 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907475 781626187 /nfs/dbraw/zinc/62/61/87/781626187.db2.gz QJRBQLULBNGLCR-QWRGUYRKSA-N 1 1 300.359 -1.397 20 0 DAADMO COCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907190 781626211 /nfs/dbraw/zinc/62/62/11/781626211.db2.gz OMHXJSXRIIVGKL-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907190 781626215 /nfs/dbraw/zinc/62/62/15/781626215.db2.gz OMHXJSXRIIVGKL-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176952893 781626239 /nfs/dbraw/zinc/62/62/39/781626239.db2.gz AJSOTCHCLWIBFH-UHFFFAOYSA-N 1 1 304.376 -1.759 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001176955931 781627117 /nfs/dbraw/zinc/62/71/17/781627117.db2.gz FKJSWWNOMJOREK-UHFFFAOYSA-N 1 1 322.329 -1.635 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177054581 781630637 /nfs/dbraw/zinc/63/06/37/781630637.db2.gz AXOGOUYVZNNSCZ-QWRGUYRKSA-N 1 1 320.415 -1.638 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177054581 781630641 /nfs/dbraw/zinc/63/06/41/781630641.db2.gz AXOGOUYVZNNSCZ-QWRGUYRKSA-N 1 1 320.415 -1.638 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 ZINC001177143689 781632847 /nfs/dbraw/zinc/63/28/47/781632847.db2.gz HAYMNIBNHKFESS-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 ZINC001177143689 781632854 /nfs/dbraw/zinc/63/28/54/781632854.db2.gz HAYMNIBNHKFESS-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001177143691 781633210 /nfs/dbraw/zinc/63/32/10/781633210.db2.gz HAYMNIBNHKFESS-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001177143691 781633217 /nfs/dbraw/zinc/63/32/17/781633217.db2.gz HAYMNIBNHKFESS-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691728 781634846 /nfs/dbraw/zinc/63/48/46/781634846.db2.gz DZZDKPVRXAVKPW-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1[nH]c(=S)sc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001177604870 781638329 /nfs/dbraw/zinc/63/83/29/781638329.db2.gz PPAXEJSWNMABFH-GUBZILKMSA-N 1 1 314.440 -1.198 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)[C@@H]2NCN[C@@H]21 ZINC001177629705 781638419 /nfs/dbraw/zinc/63/84/19/781638419.db2.gz RWRJBCVPIFMECZ-DGAVXFQQSA-N 1 1 320.397 -1.237 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)[C@@H]2NCN[C@@H]21 ZINC001177629705 781638425 /nfs/dbraw/zinc/63/84/25/781638425.db2.gz RWRJBCVPIFMECZ-DGAVXFQQSA-N 1 1 320.397 -1.237 20 0 DAADMO COc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)c1 ZINC001178043575 781641677 /nfs/dbraw/zinc/64/16/77/781641677.db2.gz MYWCNOCSSFHXQX-AVGNSLFASA-N 1 1 318.381 -1.359 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)c1nnnn1C ZINC001178093925 781642195 /nfs/dbraw/zinc/64/21/95/781642195.db2.gz TVJHCBYYCRCBIY-CIUDSAMLSA-N 1 1 310.362 -1.482 20 0 DAADMO COc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001178180850 781644200 /nfs/dbraw/zinc/64/42/00/781644200.db2.gz BQVWJXLMHZWLOV-WCFLWFBJSA-N 1 1 318.381 -1.359 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202232 781644403 /nfs/dbraw/zinc/64/44/03/781644403.db2.gz AAPZBOGQPDWQAI-ONGXEEELSA-N 1 1 321.385 -1.185 20 0 DAADMO Cc1ccc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)nc1 ZINC001178145783 781644749 /nfs/dbraw/zinc/64/47/49/781644749.db2.gz WFHMUYIBOPOPPJ-RWMBFGLXSA-N 1 1 302.382 -1.059 20 0 DAADMO COc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001178180848 781644825 /nfs/dbraw/zinc/64/48/25/781644825.db2.gz BQVWJXLMHZWLOV-DRZSPHRISA-N 1 1 318.381 -1.359 20 0 DAADMO COc1cnc(F)c(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001178432686 781646028 /nfs/dbraw/zinc/64/60/28/781646028.db2.gz UETCHQSTVZEHFX-DRZSPHRISA-N 1 1 310.333 -1.709 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)[C@@H]1C ZINC001178560154 781648830 /nfs/dbraw/zinc/64/88/30/781648830.db2.gz ZLTMNOHBHDYBAG-GUBZILKMSA-N 1 1 309.374 -1.049 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178559727 781649370 /nfs/dbraw/zinc/64/93/70/781649370.db2.gz FRDRAEWLIMLCRQ-CIUDSAMLSA-N 1 1 310.362 -1.654 20 0 DAADMO C[NH+]1CCN(CC(=O)Nc2cncc(S(N)(=O)=O)c2)CC1 ZINC001178949764 781654392 /nfs/dbraw/zinc/65/43/92/781654392.db2.gz VWKJDQWVHRLKPX-UHFFFAOYSA-N 1 1 313.383 -1.085 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)nn1 ZINC001150833541 781654596 /nfs/dbraw/zinc/65/45/96/781654596.db2.gz YQQCNBUUYXGKBP-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001178953676 781654816 /nfs/dbraw/zinc/65/48/16/781654816.db2.gz MMBOLNFXKVFPPT-WECGXBHGSA-N 1 1 319.358 -3.850 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)c1cnn[nH]1 ZINC001178927916 781654845 /nfs/dbraw/zinc/65/48/45/781654845.db2.gz YZGKXBSVLAZJNZ-UHFFFAOYSA-N 1 1 311.346 -1.121 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001179036207 781655582 /nfs/dbraw/zinc/65/55/82/781655582.db2.gz RNFYASBNAHHHJR-RWMBFGLXSA-N 1 1 311.390 -3.330 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001179036205 781655593 /nfs/dbraw/zinc/65/55/93/781655593.db2.gz RNFYASBNAHHHJR-AVGNSLFASA-N 1 1 311.390 -3.330 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001179036206 781655909 /nfs/dbraw/zinc/65/59/09/781655909.db2.gz RNFYASBNAHHHJR-FRRDWIJNSA-N 1 1 311.390 -3.330 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001179414577 781659942 /nfs/dbraw/zinc/65/99/42/781659942.db2.gz FRHSKKOVKDRMCI-JTQLQIEISA-N 1 1 324.389 -1.342 20 0 DAADMO COc1ccc(/C=C/C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1O ZINC001179672422 781662395 /nfs/dbraw/zinc/66/23/95/781662395.db2.gz TZIMAVWOVROXRV-SYLFXCMISA-N 1 1 319.365 -1.067 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C(F)(F)C(F)(F)Cl)[C@@H]2NCN[C@H]21 ZINC001179781701 781662676 /nfs/dbraw/zinc/66/26/76/781662676.db2.gz MKLRJCAODDWYIQ-LMVFSUKVSA-N 1 1 305.663 -1.028 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)c1ncn[nH]1 ZINC001179853051 781663878 /nfs/dbraw/zinc/66/38/78/781663878.db2.gz IOYKGIWZSGUDHL-UHFFFAOYSA-N 1 1 311.346 -1.121 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)c1nc[nH]n1 ZINC001179853051 781663881 /nfs/dbraw/zinc/66/38/81/781663881.db2.gz IOYKGIWZSGUDHL-UHFFFAOYSA-N 1 1 311.346 -1.121 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2nnc3ccccc32)[C@H]2NCN[C@H]21 ZINC001179998126 781664418 /nfs/dbraw/zinc/66/44/18/781664418.db2.gz KUHJRHPHSWVBOL-BFHYXJOUSA-N 1 1 316.369 -1.660 20 0 DAADMO COc1cccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1OC ZINC001179970903 781665589 /nfs/dbraw/zinc/66/55/89/781665589.db2.gz KWMZKNQVLDULKL-AEGPPILISA-N 1 1 321.381 -1.235 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2ncc3ccccc32)[C@@H]2NCN[C@H]21 ZINC001180065892 781666769 /nfs/dbraw/zinc/66/67/69/781666769.db2.gz RCDRVYUFXYESIT-ZNMIVQPWSA-N 1 1 315.381 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)[C@H]2NCN[C@H]21 ZINC001180190883 781667863 /nfs/dbraw/zinc/66/78/63/781667863.db2.gz KGHPTRAMGMVYEF-SCUASFONSA-N 1 1 317.349 -1.193 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCCC(N)=O ZINC001180291254 781668860 /nfs/dbraw/zinc/66/88/60/781668860.db2.gz CCVIMNAKAHQHFO-UWVGGRQHSA-N 1 1 309.374 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc3ccccc3n2)[C@H]2NCN[C@@H]21 ZINC001180300158 781669811 /nfs/dbraw/zinc/66/98/11/781669811.db2.gz FVDSLWIQHMPXKQ-JHJVBQTASA-N 1 1 302.342 -2.050 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O ZINC001180383616 781670747 /nfs/dbraw/zinc/67/07/47/781670747.db2.gz WTUAFJIDNQMHQE-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O ZINC001180383616 781670749 /nfs/dbraw/zinc/67/07/49/781670749.db2.gz WTUAFJIDNQMHQE-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCC(=O)N2CCOCC2)[C@H]2NCN[C@H]21 ZINC001180499766 781672035 /nfs/dbraw/zinc/67/20/35/781672035.db2.gz ZFLGERDYPJRDSF-YNEHKIRRSA-N 1 1 312.374 -2.856 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)[C@H]2CSCC(=O)N2)CC1 ZINC001180556827 781673085 /nfs/dbraw/zinc/67/30/85/781673085.db2.gz UKGMLRFGDLIGJT-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO CC(=O)N1CCC(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001180659273 781675445 /nfs/dbraw/zinc/67/54/45/781675445.db2.gz VANHFEFLKFSGTE-HZSPNIEDSA-N 1 1 310.402 -1.846 20 0 DAADMO CC(=O)N1CCC(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001180659278 781675860 /nfs/dbraw/zinc/67/58/60/781675860.db2.gz VANHFEFLKFSGTE-RDBSUJKOSA-N 1 1 310.402 -1.846 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180761161 781676477 /nfs/dbraw/zinc/67/64/77/781676477.db2.gz XMSNQEGMHLJRAB-NSHDSACASA-N 1 1 322.369 -1.413 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180761161 781676479 /nfs/dbraw/zinc/67/64/79/781676479.db2.gz XMSNQEGMHLJRAB-NSHDSACASA-N 1 1 322.369 -1.413 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCOCCN2C(=O)C=CC2=O)C1 ZINC001180763847 781677689 /nfs/dbraw/zinc/67/76/89/781677689.db2.gz NNEUWLWZPBLZNV-LLVKDONJSA-N 1 1 311.338 -1.625 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCOCCN2C(=O)C=CC2=O)C1 ZINC001180763847 781677691 /nfs/dbraw/zinc/67/76/91/781677691.db2.gz NNEUWLWZPBLZNV-LLVKDONJSA-N 1 1 311.338 -1.625 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(C)=O ZINC001180760564 781677884 /nfs/dbraw/zinc/67/78/84/781677884.db2.gz WUNCRBOXWDWLPZ-NEPJUHHUSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(C)=O ZINC001180760564 781677892 /nfs/dbraw/zinc/67/78/92/781677892.db2.gz WUNCRBOXWDWLPZ-NEPJUHHUSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763620 781678135 /nfs/dbraw/zinc/67/81/35/781678135.db2.gz KEFXLOVRAKRFJB-VXGBXAGGSA-N 1 1 310.354 -1.049 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763620 781678139 /nfs/dbraw/zinc/67/81/39/781678139.db2.gz KEFXLOVRAKRFJB-VXGBXAGGSA-N 1 1 310.354 -1.049 20 0 DAADMO CC(C)C(=O)N1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001180848059 781679209 /nfs/dbraw/zinc/67/92/09/781679209.db2.gz PKQJGSPCQYKKTQ-AVGNSLFASA-N 1 1 324.429 -1.600 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001180907007 781680690 /nfs/dbraw/zinc/68/06/90/781680690.db2.gz ORTNOKLKBIRTAH-MRVPVSSYSA-N 1 1 308.346 -1.633 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@H]2c3ccccc3NC2=O)[C@@H]2NCN[C@H]21 ZINC001180957527 781682485 /nfs/dbraw/zinc/68/24/85/781682485.db2.gz FFKQLGFCGNNVNJ-WTDIUWLJSA-N 1 1 316.365 -1.369 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]1(C)C[NH2+]Cc1nnn(C)n1 ZINC001180946134 781682567 /nfs/dbraw/zinc/68/25/67/781682567.db2.gz MPKQANYLBZORNJ-NOZJJQNGSA-N 1 1 309.374 -1.340 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3nccnc3c2)[C@H]2NCN[C@H]21 ZINC001181025848 781682664 /nfs/dbraw/zinc/68/26/64/781682664.db2.gz WIDJPGVRCICWNI-RRFJBIMHSA-N 1 1 313.365 -1.309 20 0 DAADMO CN1C(=O)C[C@@H](C(=O)NCCN2CCC[N@@H+](C)CC2)NC1=O ZINC001181135792 781683632 /nfs/dbraw/zinc/68/36/32/781683632.db2.gz HDDGDDWBZHPMGP-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccccc3)COC2)[C@@H]2NCN[C@@H]21 ZINC001181560501 781689085 /nfs/dbraw/zinc/68/90/85/781689085.db2.gz CPESLBJBWQPJBA-UPJWGTAASA-N 1 1 303.366 -1.526 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccccc3)COC2)[C@H]2NCN[C@H]21 ZINC001181560503 781689243 /nfs/dbraw/zinc/68/92/43/781689243.db2.gz CPESLBJBWQPJBA-YNEHKIRRSA-N 1 1 303.366 -1.526 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CC2CCS(=O)(=O)CC2)[C@@H]2NCN[C@@H]21 ZINC001181543074 781689664 /nfs/dbraw/zinc/68/96/64/781689664.db2.gz BYDXTNDPYCCKAL-UTUOFQBUSA-N 1 1 317.415 -2.280 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001181681338 781690681 /nfs/dbraw/zinc/69/06/81/781690681.db2.gz MDUCVCLEKZCMEJ-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CC(O)(c3ccccc3)C2)[C@H]2NCN[C@@H]21 ZINC001181661758 781690696 /nfs/dbraw/zinc/69/06/96/781690696.db2.gz HFXFRRVPISZUMZ-JBDBUSFZSA-N 1 1 317.393 -1.197 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cc2nc3ncccn3n2)[nH]1 ZINC001151055979 781692509 /nfs/dbraw/zinc/69/25/09/781692509.db2.gz JNLOVPVTJNJYTJ-UHFFFAOYSA-N 1 1 315.341 -1.001 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001181801691 781692659 /nfs/dbraw/zinc/69/26/59/781692659.db2.gz OALXAZGLIPZFJQ-PSASIEDQSA-N 1 1 308.342 -1.274 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001181917391 781694743 /nfs/dbraw/zinc/69/47/43/781694743.db2.gz QVWAAGLGXGEWJA-SNVBAGLBSA-N 1 1 315.399 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110248875 781694766 /nfs/dbraw/zinc/69/47/66/781694766.db2.gz MQNBNPLKUXJRMG-WYUUTHIRSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110248875 781694772 /nfs/dbraw/zinc/69/47/72/781694772.db2.gz MQNBNPLKUXJRMG-WYUUTHIRSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001181982755 781695583 /nfs/dbraw/zinc/69/55/83/781695583.db2.gz RGQYDUDISZFOAX-DZXXBYIOSA-N 1 1 318.370 -2.367 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001182000331 781696884 /nfs/dbraw/zinc/69/68/84/781696884.db2.gz KIKICGCCGUZKKW-MDVDOTDZSA-N 1 1 318.370 -2.223 20 0 DAADMO CCCCOCCOCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182213813 781702531 /nfs/dbraw/zinc/70/25/31/781702531.db2.gz LPZSBWFOMJEFCH-AGIUHOORSA-N 1 1 301.391 -1.661 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110266611 781703049 /nfs/dbraw/zinc/70/30/49/781703049.db2.gz AULMOXKNTINCGC-UTUOFQBUSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110266611 781703055 /nfs/dbraw/zinc/70/30/55/781703055.db2.gz AULMOXKNTINCGC-UTUOFQBUSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001110272411 781704392 /nfs/dbraw/zinc/70/43/92/781704392.db2.gz XQJRIPDBSRMGKI-ZNSHCXBVSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001110272411 781704397 /nfs/dbraw/zinc/70/43/97/781704397.db2.gz XQJRIPDBSRMGKI-ZNSHCXBVSA-N 1 1 309.370 -1.345 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001182342649 781705861 /nfs/dbraw/zinc/70/58/61/781705861.db2.gz CPGDJWAITNNSMU-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001182530602 781708828 /nfs/dbraw/zinc/70/88/28/781708828.db2.gz NBVXYDVOYHOMEL-RKDXNWHRSA-N 1 1 310.362 -1.653 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001182530601 781708985 /nfs/dbraw/zinc/70/89/85/781708985.db2.gz NBVXYDVOYHOMEL-DTWKUNHWSA-N 1 1 310.362 -1.653 20 0 DAADMO C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccc(C(N)=O)cc1 ZINC001182789098 781713667 /nfs/dbraw/zinc/71/36/67/781713667.db2.gz FALGHIWVGUMRQH-NVPWMLRNSA-N 1 1 318.381 -1.592 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cnc3ccccn23)[C@@H]2NCN[C@H]21 ZINC001182840243 781713753 /nfs/dbraw/zinc/71/37/53/781713753.db2.gz JMLUNCIMFATDKX-MJBXVCDLSA-N 1 1 301.354 -1.604 20 0 DAADMO C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccc(C(N)=O)cc1 ZINC001182789097 781714031 /nfs/dbraw/zinc/71/40/31/781714031.db2.gz FALGHIWVGUMRQH-FNYBSCSFSA-N 1 1 318.381 -1.592 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151300221 781715586 /nfs/dbraw/zinc/71/55/86/781715586.db2.gz LBKFUIRLQWWARG-VXNVDRBHSA-N 1 1 316.387 -1.428 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 ZINC001151301457 781716233 /nfs/dbraw/zinc/71/62/33/781716233.db2.gz UYCZMNDBWBEOQM-VIFPVBQESA-N 1 1 302.360 -2.287 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001183007992 781717725 /nfs/dbraw/zinc/71/77/25/781717725.db2.gz YJNFYUBNYVAMLH-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001183026726 781717795 /nfs/dbraw/zinc/71/77/95/781717795.db2.gz WMLFDXHLSGSBAK-VGMNWLOBSA-N 1 1 304.376 -3.603 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001183026725 781718521 /nfs/dbraw/zinc/71/85/21/781718521.db2.gz WMLFDXHLSGSBAK-HRDYMLBCSA-N 1 1 304.376 -3.603 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC001183025081 781720872 /nfs/dbraw/zinc/72/08/72/781720872.db2.gz JQOSCUXFNGEMID-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001183055156 781721144 /nfs/dbraw/zinc/72/11/44/781721144.db2.gz RUHJSDVMMUVSCB-SNVBAGLBSA-N 1 1 324.389 -1.127 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)CNC(=O)NC)C2)n1 ZINC001183054738 781721374 /nfs/dbraw/zinc/72/13/74/781721374.db2.gz DYFJBCRVWMQRBT-SNVBAGLBSA-N 1 1 309.374 -1.083 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001183059989 781722452 /nfs/dbraw/zinc/72/24/52/781722452.db2.gz POTWYTTTYGZBJZ-NXEZZACHSA-N 1 1 309.374 -1.004 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CCS(C)(=O)=O)C2)nn1 ZINC001183676594 781728532 /nfs/dbraw/zinc/72/85/32/781728532.db2.gz JCPFMZPYFRBZMN-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)CC2 ZINC001183719672 781732863 /nfs/dbraw/zinc/73/28/63/781732863.db2.gz YWWSJOLKWMFJDY-NSHDSACASA-N 1 1 305.338 -1.350 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001183764333 781735141 /nfs/dbraw/zinc/73/51/41/781735141.db2.gz YNQMXKCWBVNLGZ-ZYHUDNBSSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCN1CCCC1=O)c1nnnn1C ZINC001151355209 781735251 /nfs/dbraw/zinc/73/52/51/781735251.db2.gz ZMZNSZYZTFIJKB-SNVBAGLBSA-N 1 1 309.374 -1.011 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001183758528 781735790 /nfs/dbraw/zinc/73/57/90/781735790.db2.gz VVARCVWYNFLGEF-YJNKXOJESA-N 1 1 316.409 -1.220 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001183758528 781735794 /nfs/dbraw/zinc/73/57/94/781735794.db2.gz VVARCVWYNFLGEF-YJNKXOJESA-N 1 1 316.409 -1.220 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncnn1C(C)C ZINC001151372396 781739078 /nfs/dbraw/zinc/73/90/78/781739078.db2.gz AHWPDLQPBOTYFA-UHFFFAOYSA-N 1 1 318.403 -1.386 20 0 DAADMO CCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151400122 781746153 /nfs/dbraw/zinc/74/61/53/781746153.db2.gz YGBNRDXBSNZQAE-UHFFFAOYSA-N 1 1 303.388 -1.154 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2=NOC3(C2)CCCCC3)[C@H]2NCN[C@H]21 ZINC001184697116 781750441 /nfs/dbraw/zinc/75/04/41/781750441.db2.gz KJYQWEPHTHOVFX-QJPTWQEYSA-N 1 1 308.386 -1.015 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2=NOC3(C2)CCCCC3)[C@@H]2NCN[C@@H]21 ZINC001184697120 781751135 /nfs/dbraw/zinc/75/11/35/781751135.db2.gz KJYQWEPHTHOVFX-UTUOFQBUSA-N 1 1 308.386 -1.015 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCOc3ccccc3O2)[C@@H]2NCN[C@H]21 ZINC001184724885 781751242 /nfs/dbraw/zinc/75/12/42/781751242.db2.gz MACDEWJLOIHWKR-FQUUOJAGSA-N 1 1 319.365 -1.264 20 0 DAADMO CN(CCC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001273495840 781754489 /nfs/dbraw/zinc/75/44/89/781754489.db2.gz LFJIWRHSCMAFCW-UHFFFAOYSA-N 1 1 313.358 -1.806 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001185253747 781756671 /nfs/dbraw/zinc/75/66/71/781756671.db2.gz XPKBTQWPQAJWAM-LLVKDONJSA-N 1 1 304.416 -1.664 20 0 DAADMO CN1CCN(C)[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001185267541 781756977 /nfs/dbraw/zinc/75/69/77/781756977.db2.gz ULHFUEWMYLSZKN-JTQLQIEISA-N 1 1 303.367 -2.103 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001185257995 781757028 /nfs/dbraw/zinc/75/70/28/781757028.db2.gz OTQIQWLYFNFMBY-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001185253774 781757400 /nfs/dbraw/zinc/75/74/00/781757400.db2.gz XPKBTQWPQAJWAM-NSHDSACASA-N 1 1 304.416 -1.664 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ncncn2)CC1 ZINC001185255676 781758032 /nfs/dbraw/zinc/75/80/32/781758032.db2.gz AGASUABBYAVHAX-GFCCVEGCSA-N 1 1 305.386 -1.234 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001185266925 781758339 /nfs/dbraw/zinc/75/83/39/781758339.db2.gz JPUJWEBNRQNCCB-JGTVTFMFSA-N 1 1 319.358 -3.852 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2cnc3ccc(F)cc32)[C@H]2NCN[C@H]21 ZINC001185347369 781759027 /nfs/dbraw/zinc/75/90/27/781759027.db2.gz FFFMCGULRXQEHS-BFHYXJOUSA-N 1 1 319.344 -1.306 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2cnc3ccc(F)cc32)[C@@H]2NCN[C@H]21 ZINC001185347376 781759172 /nfs/dbraw/zinc/75/91/72/781759172.db2.gz FFFMCGULRXQEHS-MJBXVCDLSA-N 1 1 319.344 -1.306 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001185749431 781765833 /nfs/dbraw/zinc/76/58/33/781765833.db2.gz IUOMXVPVRSQZMG-SNVBAGLBSA-N 1 1 323.357 -1.617 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001185749431 781765839 /nfs/dbraw/zinc/76/58/39/781765839.db2.gz IUOMXVPVRSQZMG-SNVBAGLBSA-N 1 1 323.357 -1.617 20 0 DAADMO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1)N1CCCC1 ZINC001186039363 781769600 /nfs/dbraw/zinc/76/96/00/781769600.db2.gz XGIQIVLTOVGACO-CQSZACIVSA-N 1 1 324.425 -1.180 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186038875 781769681 /nfs/dbraw/zinc/76/96/81/781769681.db2.gz SLRWUWSJUPYDFR-DOMZBBRYSA-N 1 1 324.381 -1.998 20 0 DAADMO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1)N1CCCC1 ZINC001186039357 781770220 /nfs/dbraw/zinc/77/02/20/781770220.db2.gz XGIQIVLTOVGACO-AWEZNQCLSA-N 1 1 324.425 -1.180 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186038878 781771170 /nfs/dbraw/zinc/77/11/70/781771170.db2.gz SLRWUWSJUPYDFR-WFASDCNBSA-N 1 1 324.381 -1.998 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1)[C@@H](C)O ZINC001186115701 781772130 /nfs/dbraw/zinc/77/21/30/781772130.db2.gz JKTHPTLBGMIFJA-YWVKMMECSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1)[C@@H](C)O ZINC001186115701 781772134 /nfs/dbraw/zinc/77/21/34/781772134.db2.gz JKTHPTLBGMIFJA-YWVKMMECSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CO)[C@H](O)C2)C1 ZINC001186101667 781772667 /nfs/dbraw/zinc/77/26/67/781772667.db2.gz YEGUGPYFNXPMAX-SDDRHHMPSA-N 1 1 300.355 -1.317 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)C1 ZINC001186116694 781774173 /nfs/dbraw/zinc/77/41/73/781774173.db2.gz LEHIMDRXSWDKSN-VGDYDELISA-N 1 1 312.374 -3.000 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)C1 ZINC001186116695 781774295 /nfs/dbraw/zinc/77/42/95/781774295.db2.gz LEHIMDRXSWDKSN-ZDDJMSTPSA-N 1 1 312.374 -3.000 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1)C(N)=O ZINC001186117980 781775063 /nfs/dbraw/zinc/77/50/63/781775063.db2.gz BRGWDEYHXQTCKD-NEPJUHHUSA-N 1 1 323.353 -1.255 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001186338630 781776851 /nfs/dbraw/zinc/77/68/51/781776851.db2.gz AQWZTMRRIIFKRK-NXEZZACHSA-N 1 1 321.385 -1.012 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186384783 781777963 /nfs/dbraw/zinc/77/79/63/781777963.db2.gz XJBOSAKYQLNBDE-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001186684971 781786324 /nfs/dbraw/zinc/78/63/24/781786324.db2.gz BDTMAWRDSSXFBO-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001186684971 781786329 /nfs/dbraw/zinc/78/63/29/781786329.db2.gz BDTMAWRDSSXFBO-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001186693296 781788105 /nfs/dbraw/zinc/78/81/05/781788105.db2.gz HSIQHAALLORVKB-RWMBFGLXSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001186705758 781788349 /nfs/dbraw/zinc/78/83/49/781788349.db2.gz PJXFLFSRJIORHC-RWMBFGLXSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001186740622 781788512 /nfs/dbraw/zinc/78/85/12/781788512.db2.gz CAFWONRZIOEJFW-AXFHLTTASA-N 1 1 310.354 -1.107 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001186740622 781788516 /nfs/dbraw/zinc/78/85/16/781788516.db2.gz CAFWONRZIOEJFW-AXFHLTTASA-N 1 1 310.354 -1.107 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001186803298 781789156 /nfs/dbraw/zinc/78/91/56/781789156.db2.gz IRJMDJMVLUILGT-WDEREUQCSA-N 1 1 324.385 -1.787 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186802915 781789645 /nfs/dbraw/zinc/78/96/45/781789645.db2.gz FILIILNTYLOSPA-GARJFASQSA-N 1 1 300.359 -1.805 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186803006 781789778 /nfs/dbraw/zinc/78/97/78/781789778.db2.gz GWEAFDRFMHHORI-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186803006 781789785 /nfs/dbraw/zinc/78/97/85/781789785.db2.gz GWEAFDRFMHHORI-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186811398 781790992 /nfs/dbraw/zinc/79/09/92/781790992.db2.gz GIPCAXGTJOSYHL-OUAUKWLOSA-N 1 1 311.386 -1.336 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001186818824 781791065 /nfs/dbraw/zinc/79/10/65/781791065.db2.gz HXGUUGUOVFRKTN-NWDGAFQWSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001186818824 781791075 /nfs/dbraw/zinc/79/10/75/781791075.db2.gz HXGUUGUOVFRKTN-NWDGAFQWSA-N 1 1 323.397 -1.286 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186820419 781791330 /nfs/dbraw/zinc/79/13/30/781791330.db2.gz ZWXKWCPHMIVTKL-QJPTWQEYSA-N 1 1 310.358 -1.787 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186812370 781791612 /nfs/dbraw/zinc/79/16/12/781791612.db2.gz OCUNURPKXZCRTM-JBLDHEPKSA-N 1 1 323.397 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186820421 781792241 /nfs/dbraw/zinc/79/22/41/781792241.db2.gz ZWXKWCPHMIVTKL-SDDRHHMPSA-N 1 1 310.358 -1.787 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110386735 781793792 /nfs/dbraw/zinc/79/37/92/781793792.db2.gz VOHOOLPVTIYQAY-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001186918561 781794432 /nfs/dbraw/zinc/79/44/32/781794432.db2.gz FOUJYXBRLDQGEK-SNVBAGLBSA-N 1 1 309.374 -1.054 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187071373 781795930 /nfs/dbraw/zinc/79/59/30/781795930.db2.gz ALYOCDFMNPIOKI-NWDGAFQWSA-N 1 1 315.370 -1.116 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001273537389 781797337 /nfs/dbraw/zinc/79/73/37/781797337.db2.gz GTJKJFRIULKZFJ-SRVKXCTJSA-N 1 1 312.370 -2.095 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCC[NH+]1CC2(COC2)C1 ZINC001187524079 781800894 /nfs/dbraw/zinc/80/08/94/781800894.db2.gz FHZNRXPXFPZUCY-JTQLQIEISA-N 1 1 310.354 -2.170 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001187622688 781801561 /nfs/dbraw/zinc/80/15/61/781801561.db2.gz TVYBUPISQGFEJJ-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001187667552 781802213 /nfs/dbraw/zinc/80/22/13/781802213.db2.gz PCEOWVUECGCMPF-CMPLNLGQSA-N 1 1 306.370 -1.016 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001187667552 781802222 /nfs/dbraw/zinc/80/22/22/781802222.db2.gz PCEOWVUECGCMPF-CMPLNLGQSA-N 1 1 306.370 -1.016 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001187698298 781804084 /nfs/dbraw/zinc/80/40/84/781804084.db2.gz BPXPYLDISYTZQU-SECBINFHSA-N 1 1 322.373 -1.243 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001187675737 781804188 /nfs/dbraw/zinc/80/41/88/781804188.db2.gz XBKLWJOSKCWXFA-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001187653380 781805426 /nfs/dbraw/zinc/80/54/26/781805426.db2.gz IMXUNQIRDWJUSK-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001187653380 781805435 /nfs/dbraw/zinc/80/54/35/781805435.db2.gz IMXUNQIRDWJUSK-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(C)(O)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187728789 781807565 /nfs/dbraw/zinc/80/75/65/781807565.db2.gz BWYOOYPSUQBEDN-VHSXEESVSA-N 1 1 312.370 -1.125 20 0 DAADMO CC(C)(O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187728789 781807568 /nfs/dbraw/zinc/80/75/68/781807568.db2.gz BWYOOYPSUQBEDN-VHSXEESVSA-N 1 1 312.370 -1.125 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001187919202 781810368 /nfs/dbraw/zinc/81/03/68/781810368.db2.gz BEKMCANABOEUQI-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001187902449 781810851 /nfs/dbraw/zinc/81/08/51/781810851.db2.gz QHKCDGLIFSXPKJ-SECBINFHSA-N 1 1 316.387 -1.945 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188095154 781811531 /nfs/dbraw/zinc/81/15/31/781811531.db2.gz GXJRRHHFEQHQNE-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001188144632 781816852 /nfs/dbraw/zinc/81/68/52/781816852.db2.gz PPAHBICEAJMLME-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001188144632 781816861 /nfs/dbraw/zinc/81/68/61/781816861.db2.gz PPAHBICEAJMLME-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001188151613 781817002 /nfs/dbraw/zinc/81/70/02/781817002.db2.gz JLKMEOAUGFTLBC-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001188151613 781817012 /nfs/dbraw/zinc/81/70/12/781817012.db2.gz JLKMEOAUGFTLBC-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(C(F)(F)F)c[nH]2)[C@@H]2NCN[C@H]21 ZINC001188296623 781817944 /nfs/dbraw/zinc/81/79/44/781817944.db2.gz RWRFGQSVRWIEJT-BBVRLYRLSA-N 1 1 305.264 -1.439 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001188693366 781821815 /nfs/dbraw/zinc/82/18/15/781821815.db2.gz MCBCHNBQOGVLBA-KBPBESRZSA-N 1 1 323.397 -1.087 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C(F)F)c2=O)[C@H]2NCN[C@H]21 ZINC001188533902 781821842 /nfs/dbraw/zinc/82/18/42/781821842.db2.gz FANGKOHLMGSRCQ-DJLDLDEBSA-N 1 1 314.296 -1.624 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684776 781822271 /nfs/dbraw/zinc/82/22/71/781822271.db2.gz LCAUZFYJWIYVOK-SNVBAGLBSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684776 781822281 /nfs/dbraw/zinc/82/22/81/781822281.db2.gz LCAUZFYJWIYVOK-SNVBAGLBSA-N 1 1 313.358 -1.889 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001188693347 781822439 /nfs/dbraw/zinc/82/24/39/781822439.db2.gz LSHGCSBHWDTIHS-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001188675167 781822551 /nfs/dbraw/zinc/82/25/51/781822551.db2.gz KGCHJMAIYVJABN-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001188675167 781822560 /nfs/dbraw/zinc/82/25/60/781822560.db2.gz KGCHJMAIYVJABN-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C(F)F)c2=O)[C@H]2NCN[C@@H]21 ZINC001188533910 781822869 /nfs/dbraw/zinc/82/28/69/781822869.db2.gz FANGKOHLMGSRCQ-IWSPIJDZSA-N 1 1 314.296 -1.624 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001188663962 781822940 /nfs/dbraw/zinc/82/29/40/781822940.db2.gz GJALWZPRQOYRJQ-TUAOUCFPSA-N 1 1 319.427 -1.031 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001188693337 781823164 /nfs/dbraw/zinc/82/31/64/781823164.db2.gz LGZHUUFOZKJMIR-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001188693337 781823176 /nfs/dbraw/zinc/82/31/76/781823176.db2.gz LGZHUUFOZKJMIR-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CCC[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001188732217 781823516 /nfs/dbraw/zinc/82/35/16/781823516.db2.gz YFTVLIAYHBKZOC-WDEREUQCSA-N 1 1 304.416 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001188793949 781823605 /nfs/dbraw/zinc/82/36/05/781823605.db2.gz OOBLWTGRJXEWTM-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001188793949 781823613 /nfs/dbraw/zinc/82/36/13/781823613.db2.gz OOBLWTGRJXEWTM-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001188759521 781824229 /nfs/dbraw/zinc/82/42/29/781824229.db2.gz AFBARXBEYDBTBC-LPEHRKFASA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001188759521 781824236 /nfs/dbraw/zinc/82/42/36/781824236.db2.gz AFBARXBEYDBTBC-LPEHRKFASA-N 1 1 323.353 -2.150 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001188727006 781824513 /nfs/dbraw/zinc/82/45/13/781824513.db2.gz MXMOXBWVIOMLSW-MRVPVSSYSA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001188727006 781824524 /nfs/dbraw/zinc/82/45/24/781824524.db2.gz MXMOXBWVIOMLSW-MRVPVSSYSA-N 1 1 322.325 -1.477 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188792608 781825916 /nfs/dbraw/zinc/82/59/16/781825916.db2.gz ICRZHWGZGPCOKD-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812018 781826636 /nfs/dbraw/zinc/82/66/36/781826636.db2.gz HPTYNHFRXJEUEW-NEPJUHHUSA-N 1 1 324.385 -1.555 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832687 781826730 /nfs/dbraw/zinc/82/67/30/781826730.db2.gz VASNXPOJVQLELH-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832687 781826741 /nfs/dbraw/zinc/82/67/41/781826741.db2.gz VASNXPOJVQLELH-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811835 781827043 /nfs/dbraw/zinc/82/70/43/781827043.db2.gz HDZFYQKLGOWZFT-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784793 781827740 /nfs/dbraw/zinc/82/77/40/781827740.db2.gz QMSIFFKSCQJBIZ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784793 781827749 /nfs/dbraw/zinc/82/77/49/781827749.db2.gz QMSIFFKSCQJBIZ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784632 781827768 /nfs/dbraw/zinc/82/77/68/781827768.db2.gz NFJXSRVVPZUMGX-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784632 781827781 /nfs/dbraw/zinc/82/77/81/781827781.db2.gz NFJXSRVVPZUMGX-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811752 781827899 /nfs/dbraw/zinc/82/78/99/781827899.db2.gz FOPBFZWKYCMNPH-GHMZBOCLSA-N 1 1 321.385 -1.034 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832512 781828128 /nfs/dbraw/zinc/82/81/28/781828128.db2.gz RLNUHJZDHCWQHH-WDEREUQCSA-N 1 1 321.385 -1.119 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188832512 781828142 /nfs/dbraw/zinc/82/81/42/781828142.db2.gz RLNUHJZDHCWQHH-WDEREUQCSA-N 1 1 321.385 -1.119 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188828769 781828866 /nfs/dbraw/zinc/82/88/66/781828866.db2.gz PMMUXCPFONPBSI-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811757 781828957 /nfs/dbraw/zinc/82/89/57/781828957.db2.gz FOPBFZWKYCMNPH-QWRGUYRKSA-N 1 1 321.385 -1.034 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CNC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001188827376 781829435 /nfs/dbraw/zinc/82/94/35/781829435.db2.gz AVPHRLASRAMXPI-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188861401 781829713 /nfs/dbraw/zinc/82/97/13/781829713.db2.gz CRBNLDOKQQNOQI-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813855 781830529 /nfs/dbraw/zinc/83/05/29/781830529.db2.gz QKTFZVAXKOIFFU-YUMQZZPRSA-N 1 1 314.346 -2.229 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814632 781831105 /nfs/dbraw/zinc/83/11/05/781831105.db2.gz VJJUUJAWNOBSPU-SECBINFHSA-N 1 1 321.403 -2.263 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814632 781831114 /nfs/dbraw/zinc/83/11/14/781831114.db2.gz VJJUUJAWNOBSPU-SECBINFHSA-N 1 1 321.403 -2.263 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001188897220 781831502 /nfs/dbraw/zinc/83/15/02/781831502.db2.gz MYIITPWTTUSYOL-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001188897220 781831516 /nfs/dbraw/zinc/83/15/16/781831516.db2.gz MYIITPWTTUSYOL-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813575 781831703 /nfs/dbraw/zinc/83/17/03/781831703.db2.gz OWTVTBPRZHHYQH-KOLCDFICSA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188971238 781832308 /nfs/dbraw/zinc/83/23/08/781832308.db2.gz RWMGTUPCWLOZJA-QJPTWQEYSA-N 1 1 323.397 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188971238 781832318 /nfs/dbraw/zinc/83/23/18/781832318.db2.gz RWMGTUPCWLOZJA-QJPTWQEYSA-N 1 1 323.397 -1.275 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985495 781834380 /nfs/dbraw/zinc/83/43/80/781834380.db2.gz HNACACXGABVPQG-NWDGAFQWSA-N 1 1 312.370 -1.843 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985604 781834579 /nfs/dbraw/zinc/83/45/79/781834579.db2.gz NPJGKTIPQWCXKG-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985604 781834590 /nfs/dbraw/zinc/83/45/90/781834590.db2.gz NPJGKTIPQWCXKG-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)[C@H]1CCNC1=O ZINC001189086825 781835741 /nfs/dbraw/zinc/83/57/41/781835741.db2.gz USVIMRNUWPTRLK-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189132856 781836005 /nfs/dbraw/zinc/83/60/05/781836005.db2.gz MPVZMLOOUCDJJR-QMMMGPOBSA-N 1 1 315.330 -1.930 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189132856 781836014 /nfs/dbraw/zinc/83/60/14/781836014.db2.gz MPVZMLOOUCDJJR-QMMMGPOBSA-N 1 1 315.330 -1.930 20 0 DAADMO Cc1cnn(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189124456 781836085 /nfs/dbraw/zinc/83/60/85/781836085.db2.gz ZHVBGMSESRNBGJ-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1cnn(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189124456 781836095 /nfs/dbraw/zinc/83/60/95/781836095.db2.gz ZHVBGMSESRNBGJ-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001189132860 781836514 /nfs/dbraw/zinc/83/65/14/781836514.db2.gz MRDIAGKJHSDBEH-WDEREUQCSA-N 1 1 303.359 -1.118 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001189275346 781837187 /nfs/dbraw/zinc/83/71/87/781837187.db2.gz AITRYQYZQQBYHP-WDEREUQCSA-N 1 1 322.406 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001189275346 781837193 /nfs/dbraw/zinc/83/71/93/781837193.db2.gz AITRYQYZQQBYHP-WDEREUQCSA-N 1 1 322.406 -1.115 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160872 781837251 /nfs/dbraw/zinc/83/72/51/781837251.db2.gz DBRIRVPIFBJCNF-MNOVXSKESA-N 1 1 308.400 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160872 781837262 /nfs/dbraw/zinc/83/72/62/781837262.db2.gz DBRIRVPIFBJCNF-MNOVXSKESA-N 1 1 308.400 -1.429 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189247200 781837290 /nfs/dbraw/zinc/83/72/90/781837290.db2.gz ZSHWVMVJKHROCK-OUAUKWLOSA-N 1 1 305.400 -1.551 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189246483 781838022 /nfs/dbraw/zinc/83/80/22/781838022.db2.gz QRUZFFHKPOBIRW-GXSJLCMTSA-N 1 1 320.353 -1.320 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189246483 781838032 /nfs/dbraw/zinc/83/80/32/781838032.db2.gz QRUZFFHKPOBIRW-GXSJLCMTSA-N 1 1 320.353 -1.320 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)nc(F)c2F)[C@H]2NCN[C@H]21 ZINC001189183030 781838579 /nfs/dbraw/zinc/83/85/79/781838579.db2.gz NEJLMDQMMHQKJX-FXBDTBDDSA-N 1 1 302.260 -1.368 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)n[nH]2)[C@@H]2NCN[C@H]21 ZINC001189335099 781838771 /nfs/dbraw/zinc/83/87/71/781838771.db2.gz QFRBOOHWSHUVKC-XQQFMLRXSA-N 1 1 314.353 -1.396 20 0 DAADMO COc1cc(OC)nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001189232588 781838915 /nfs/dbraw/zinc/83/89/15/781838915.db2.gz PKPVPTNHRJZVOV-YWVKMMECSA-N 1 1 309.330 -2.374 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189410230 781840050 /nfs/dbraw/zinc/84/00/50/781840050.db2.gz OZSSAAMPMMQJHK-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189410231 781840164 /nfs/dbraw/zinc/84/01/64/781840164.db2.gz OZSSAAMPMMQJHK-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO COCC[NH+]1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)CC1 ZINC001189430042 781841240 /nfs/dbraw/zinc/84/12/40/781841240.db2.gz MTKUMJOUEROIHN-UHFFFAOYSA-N 1 1 310.354 -1.512 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478461 781841874 /nfs/dbraw/zinc/84/18/74/781841874.db2.gz AKESJMMVVYNDGL-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478527 781842039 /nfs/dbraw/zinc/84/20/39/781842039.db2.gz BSTBXPQHMDGYGD-LBPRGKRZSA-N 1 1 314.386 -1.453 20 0 DAADMO CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478526 781842650 /nfs/dbraw/zinc/84/26/50/781842650.db2.gz BSTBXPQHMDGYGD-GFCCVEGCSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480509 781843055 /nfs/dbraw/zinc/84/30/55/781843055.db2.gz LZOVIVSUGUZTGB-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccccn3)n[nH]2)[C@@H]2NCN[C@H]21 ZINC001189479416 781843176 /nfs/dbraw/zinc/84/31/76/781843176.db2.gz KYGHJJUPKXAEML-XQQFMLRXSA-N 1 1 314.353 -1.396 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189490232 781843485 /nfs/dbraw/zinc/84/34/85/781843485.db2.gz SJZLNTAWKJGLLM-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189490232 781843491 /nfs/dbraw/zinc/84/34/91/781843491.db2.gz SJZLNTAWKJGLLM-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479581 781843641 /nfs/dbraw/zinc/84/36/41/781843641.db2.gz HZSNEEHWDCXOBK-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479581 781843652 /nfs/dbraw/zinc/84/36/52/781843652.db2.gz HZSNEEHWDCXOBK-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccccn3)n[nH]2)[C@H]2NCN[C@@H]21 ZINC001189479414 781844306 /nfs/dbraw/zinc/84/43/06/781844306.db2.gz KYGHJJUPKXAEML-JHJVBQTASA-N 1 1 314.353 -1.396 20 0 DAADMO Cc1c(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)nnn1C ZINC001189499341 781844317 /nfs/dbraw/zinc/84/43/17/781844317.db2.gz FZUONTHRXDGHEE-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO Cc1c(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nnn1C ZINC001189499341 781844327 /nfs/dbraw/zinc/84/43/27/781844327.db2.gz FZUONTHRXDGHEE-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480510 781844506 /nfs/dbraw/zinc/84/45/06/781844506.db2.gz LZOVIVSUGUZTGB-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189454573 781844806 /nfs/dbraw/zinc/84/48/06/781844806.db2.gz WILDVMPPONUIPP-XHNCKOQMSA-N 1 1 321.341 -1.466 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189454573 781844820 /nfs/dbraw/zinc/84/48/20/781844820.db2.gz WILDVMPPONUIPP-XHNCKOQMSA-N 1 1 321.341 -1.466 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001189522717 781845503 /nfs/dbraw/zinc/84/55/03/781845503.db2.gz JTOSLBOUAUQZDF-RWMBFGLXSA-N 1 1 324.385 -1.397 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696449 781845878 /nfs/dbraw/zinc/84/58/78/781845878.db2.gz YRWHLRRJKIMEPI-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480687 781845916 /nfs/dbraw/zinc/84/59/16/781845916.db2.gz NINAITIOYCISJR-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480687 781845920 /nfs/dbraw/zinc/84/59/20/781845920.db2.gz NINAITIOYCISJR-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001273583923 781846122 /nfs/dbraw/zinc/84/61/22/781846122.db2.gz FTRSYKDUMNXXAA-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO Cc1cc(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]n1 ZINC001189610165 781846224 /nfs/dbraw/zinc/84/62/24/781846224.db2.gz AESNSOBOVPNCBJ-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1cc(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]n1 ZINC001189610165 781846231 /nfs/dbraw/zinc/84/62/31/781846231.db2.gz AESNSOBOVPNCBJ-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@@H]2NCN[C@@H]21 ZINC001189534911 781846273 /nfs/dbraw/zinc/84/62/73/781846273.db2.gz NHERTKYPKIVGIQ-PRJMDXOYSA-N 1 1 305.264 -1.439 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777111 781846420 /nfs/dbraw/zinc/84/64/20/781846420.db2.gz ATOJQPZNKLFQTL-SNVBAGLBSA-N 1 1 322.431 -1.084 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777111 781846423 /nfs/dbraw/zinc/84/64/23/781846423.db2.gz ATOJQPZNKLFQTL-SNVBAGLBSA-N 1 1 322.431 -1.084 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696442 781846785 /nfs/dbraw/zinc/84/67/85/781846785.db2.gz YRWHLRRJKIMEPI-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO Cc1cc(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]n1 ZINC001189610161 781848023 /nfs/dbraw/zinc/84/80/23/781848023.db2.gz AESNSOBOVPNCBJ-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1cc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]n1 ZINC001189610161 781848027 /nfs/dbraw/zinc/84/80/27/781848027.db2.gz AESNSOBOVPNCBJ-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769107 781849265 /nfs/dbraw/zinc/84/92/65/781849265.db2.gz FZWZWUJMOIGFNQ-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769107 781849273 /nfs/dbraw/zinc/84/92/73/781849273.db2.gz FZWZWUJMOIGFNQ-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110414818 781849565 /nfs/dbraw/zinc/84/95/65/781849565.db2.gz JNFXIZKXFUQDPP-MXWKQRLJSA-N 1 1 309.370 -1.392 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736152 781849653 /nfs/dbraw/zinc/84/96/53/781849653.db2.gz UBYAAVXCYWATRD-GHMZBOCLSA-N 1 1 313.358 -1.476 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189742378 781850031 /nfs/dbraw/zinc/85/00/31/781850031.db2.gz SPOJMGWZYQGXNU-NWDGAFQWSA-N 1 1 309.370 -1.111 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189742378 781850040 /nfs/dbraw/zinc/85/00/40/781850040.db2.gz SPOJMGWZYQGXNU-NWDGAFQWSA-N 1 1 309.370 -1.111 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189742378 781850050 /nfs/dbraw/zinc/85/00/50/781850050.db2.gz SPOJMGWZYQGXNU-NWDGAFQWSA-N 1 1 309.370 -1.111 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189705677 781850103 /nfs/dbraw/zinc/85/01/03/781850103.db2.gz JUQPVWGMOZJEPY-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189705677 781850110 /nfs/dbraw/zinc/85/01/10/781850110.db2.gz JUQPVWGMOZJEPY-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736725 781850261 /nfs/dbraw/zinc/85/02/61/781850261.db2.gz XAQTWIVEYAQWLD-LLVKDONJSA-N 1 1 313.358 -1.475 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001189741739 781850699 /nfs/dbraw/zinc/85/06/99/781850699.db2.gz KTOSGIKSZWPIMV-DTWKUNHWSA-N 1 1 321.341 -1.925 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001189741739 781850707 /nfs/dbraw/zinc/85/07/07/781850707.db2.gz KTOSGIKSZWPIMV-DTWKUNHWSA-N 1 1 321.341 -1.925 20 0 DAADMO COC(=O)c1ccncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001189809175 781851391 /nfs/dbraw/zinc/85/13/91/781851391.db2.gz QZKMMROBTDBILV-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO COC(=O)c1ccncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001189809178 781851407 /nfs/dbraw/zinc/85/14/07/781851407.db2.gz QZKMMROBTDBILV-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189837885 781851431 /nfs/dbraw/zinc/85/14/31/781851431.db2.gz XARTWKYYOFQKSP-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189778873 781851765 /nfs/dbraw/zinc/85/17/65/781851765.db2.gz NQEMFDAUHNMIIP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189778873 781851773 /nfs/dbraw/zinc/85/17/73/781851773.db2.gz NQEMFDAUHNMIIP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001189836265 781852575 /nfs/dbraw/zinc/85/25/75/781852575.db2.gz GNCIHWQPLKXJEZ-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C1 ZINC001189836265 781852585 /nfs/dbraw/zinc/85/25/85/781852585.db2.gz GNCIHWQPLKXJEZ-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418486 781853223 /nfs/dbraw/zinc/85/32/23/781853223.db2.gz VSZGGCYHUHIECN-BGZDPUMWSA-N 1 1 311.342 -1.833 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418486 781853232 /nfs/dbraw/zinc/85/32/32/781853232.db2.gz VSZGGCYHUHIECN-BGZDPUMWSA-N 1 1 311.342 -1.833 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001189859489 781853755 /nfs/dbraw/zinc/85/37/55/781853755.db2.gz ZPJSTKHFSMKLQO-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189856543 781853855 /nfs/dbraw/zinc/85/38/55/781853855.db2.gz AMZLQJPLPKORSU-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189856543 781853867 /nfs/dbraw/zinc/85/38/67/781853867.db2.gz AMZLQJPLPKORSU-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001189859120 781854206 /nfs/dbraw/zinc/85/42/06/781854206.db2.gz XCTJGAYQJZDSME-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001189859120 781854209 /nfs/dbraw/zinc/85/42/09/781854209.db2.gz XCTJGAYQJZDSME-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001189867483 781854392 /nfs/dbraw/zinc/85/43/92/781854392.db2.gz WWIKBZCVZMTFQU-QWRGUYRKSA-N 1 1 309.374 -1.132 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001189859492 781854915 /nfs/dbraw/zinc/85/49/15/781854915.db2.gz ZPJSTKHFSMKLQO-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189934823 781856213 /nfs/dbraw/zinc/85/62/13/781856213.db2.gz QZMJWKVABRQTFP-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189934823 781856221 /nfs/dbraw/zinc/85/62/21/781856221.db2.gz QZMJWKVABRQTFP-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189933291 781857899 /nfs/dbraw/zinc/85/78/99/781857899.db2.gz KFYBKHHLGGVRLH-SFYZADRCSA-N 1 1 313.314 -2.178 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189933291 781857910 /nfs/dbraw/zinc/85/79/10/781857910.db2.gz KFYBKHHLGGVRLH-SFYZADRCSA-N 1 1 313.314 -2.178 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190058788 781858287 /nfs/dbraw/zinc/85/82/87/781858287.db2.gz LDCCXJFDSLHKQK-YNEHKIRRSA-N 1 1 309.370 -1.182 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001190004836 781858318 /nfs/dbraw/zinc/85/83/18/781858318.db2.gz UGBKHIWCMDPGDU-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001189983367 781858461 /nfs/dbraw/zinc/85/84/61/781858461.db2.gz JWBIYMIGGGHHLT-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963656 781858507 /nfs/dbraw/zinc/85/85/07/781858507.db2.gz NOZAJVNQYAQMAX-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963656 781858516 /nfs/dbraw/zinc/85/85/16/781858516.db2.gz NOZAJVNQYAQMAX-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001190099802 781859372 /nfs/dbraw/zinc/85/93/72/781859372.db2.gz CDRQVINXQRPUDN-NWDGAFQWSA-N 1 1 314.386 -1.414 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189961714 781860066 /nfs/dbraw/zinc/86/00/66/781860066.db2.gz BDCDXVXUIIIICR-DTWKUNHWSA-N 1 1 323.357 -1.455 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189961717 781860468 /nfs/dbraw/zinc/86/04/68/781860468.db2.gz BDCDXVXUIIIICR-IUCAKERBSA-N 1 1 323.357 -1.455 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190136528 781860901 /nfs/dbraw/zinc/86/09/01/781860901.db2.gz KCKSIKPGXSRTGD-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101389 781861423 /nfs/dbraw/zinc/86/14/23/781861423.db2.gz ZVLNSNNKVMYYJZ-QJPTWQEYSA-N 1 1 314.386 -1.415 20 0 DAADMO COc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(OC)c1 ZINC001190148041 781862157 /nfs/dbraw/zinc/86/21/57/781862157.db2.gz HPWDWRVLEMAZGA-AVGNSLFASA-N 1 1 323.353 -1.458 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187800 781862213 /nfs/dbraw/zinc/86/22/13/781862213.db2.gz VLWPAQHYAJSJGR-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187800 781862223 /nfs/dbraw/zinc/86/22/23/781862223.db2.gz VLWPAQHYAJSJGR-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)NC(N)=O ZINC001190153364 781862604 /nfs/dbraw/zinc/86/26/04/781862604.db2.gz AWXXRQAFAGBFDW-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001190107286 781862627 /nfs/dbraw/zinc/86/26/27/781862627.db2.gz FWISSSXKOYXTDP-NWDGAFQWSA-N 1 1 321.385 -1.131 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)NC(N)=O ZINC001190153366 781863611 /nfs/dbraw/zinc/86/36/11/781863611.db2.gz AWXXRQAFAGBFDW-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195820 781864387 /nfs/dbraw/zinc/86/43/87/781864387.db2.gz MRIAXSNSVUGIOY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195820 781864393 /nfs/dbraw/zinc/86/43/93/781864393.db2.gz MRIAXSNSVUGIOY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195748 781864510 /nfs/dbraw/zinc/86/45/10/781864510.db2.gz KSKTYALQGMGQNI-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195748 781864517 /nfs/dbraw/zinc/86/45/17/781864517.db2.gz KSKTYALQGMGQNI-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001190312545 781865840 /nfs/dbraw/zinc/86/58/40/781865840.db2.gz YMKSNZUDJJINDV-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2ccnn2)[C@H]2NCN[C@@H]21 ZINC001190407547 781865996 /nfs/dbraw/zinc/86/59/96/781865996.db2.gz UKBKOOPMKPEUDI-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190329768 781866039 /nfs/dbraw/zinc/86/60/39/781866039.db2.gz STIHRZBCUZKBQV-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190329768 781866047 /nfs/dbraw/zinc/86/60/47/781866047.db2.gz STIHRZBCUZKBQV-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190328785 781866185 /nfs/dbraw/zinc/86/61/85/781866185.db2.gz KOUSRXCJDHJESP-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190328785 781866190 /nfs/dbraw/zinc/86/61/90/781866190.db2.gz KOUSRXCJDHJESP-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2ccnn2)[C@H]2NCN[C@H]21 ZINC001190407554 781866648 /nfs/dbraw/zinc/86/66/48/781866648.db2.gz UKBKOOPMKPEUDI-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)c1=O ZINC001190484220 781867362 /nfs/dbraw/zinc/86/73/62/781867362.db2.gz VMLZRBKLDJAMRA-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190471969 781867401 /nfs/dbraw/zinc/86/74/01/781867401.db2.gz HBOJGTFWYNOFMG-UWVGGRQHSA-N 1 1 320.415 -1.716 20 0 DAADMO CN(CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001190473442 781868183 /nfs/dbraw/zinc/86/81/83/781868183.db2.gz YMVBZYWTOJJLGH-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001190473442 781868186 /nfs/dbraw/zinc/86/81/86/781868186.db2.gz YMVBZYWTOJJLGH-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190462736 781868251 /nfs/dbraw/zinc/86/82/51/781868251.db2.gz LYAQLYUMEOJNLL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001190483741 781868367 /nfs/dbraw/zinc/86/83/67/781868367.db2.gz SQEJPQVKANJZRN-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462923 781868391 /nfs/dbraw/zinc/86/83/91/781868391.db2.gz ODQXEWFYBXMHKY-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462770 781868502 /nfs/dbraw/zinc/86/85/02/781868502.db2.gz MKYBCXCOJPTQTE-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001190551064 781869466 /nfs/dbraw/zinc/86/94/66/781869466.db2.gz NPJSXNNTKBYBQK-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001190551064 781869474 /nfs/dbraw/zinc/86/94/74/781869474.db2.gz NPJSXNNTKBYBQK-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001190512001 781869799 /nfs/dbraw/zinc/86/97/99/781869799.db2.gz YXRKYFQSSHJUCO-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CSc1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(C)n1 ZINC001190524344 781870030 /nfs/dbraw/zinc/87/00/30/781870030.db2.gz VPWKNECTWLLDQZ-UTLUCORTSA-N 1 1 309.399 -1.360 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001190509422 781870227 /nfs/dbraw/zinc/87/02/27/781870227.db2.gz KMLGQPSLEWEUOT-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190510277 781870325 /nfs/dbraw/zinc/87/03/25/781870325.db2.gz QNMQKLJAFQTZLC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190510277 781870332 /nfs/dbraw/zinc/87/03/32/781870332.db2.gz QNMQKLJAFQTZLC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573682 781871688 /nfs/dbraw/zinc/87/16/88/781871688.db2.gz TZMNJNKBTIWBLS-IVZWLZJFSA-N 1 1 312.313 -1.563 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573682 781871694 /nfs/dbraw/zinc/87/16/94/781871694.db2.gz TZMNJNKBTIWBLS-IVZWLZJFSA-N 1 1 312.313 -1.563 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626472 781872430 /nfs/dbraw/zinc/87/24/30/781872430.db2.gz FYFJYQZRLSBUDD-BFHYXJOUSA-N 1 1 316.398 -1.028 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190593395 781872952 /nfs/dbraw/zinc/87/29/52/781872952.db2.gz MDIMQHGWRWSWPN-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190593395 781872955 /nfs/dbraw/zinc/87/29/55/781872955.db2.gz MDIMQHGWRWSWPN-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190645195 781874033 /nfs/dbraw/zinc/87/40/33/781874033.db2.gz HSFMXSLMYUQUGL-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190645195 781874041 /nfs/dbraw/zinc/87/40/41/781874041.db2.gz HSFMXSLMYUQUGL-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001190650910 781874415 /nfs/dbraw/zinc/87/44/15/781874415.db2.gz DAKPXWYFRSOQSV-IJLUTSLNSA-N 1 1 322.377 -1.080 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001190650910 781874427 /nfs/dbraw/zinc/87/44/27/781874427.db2.gz DAKPXWYFRSOQSV-IJLUTSLNSA-N 1 1 322.377 -1.080 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190639268 781874587 /nfs/dbraw/zinc/87/45/87/781874587.db2.gz QIANMSKJBNKNKS-VXGBXAGGSA-N 1 1 303.359 -2.053 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190639268 781874596 /nfs/dbraw/zinc/87/45/96/781874596.db2.gz QIANMSKJBNKNKS-VXGBXAGGSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001190638995 781875644 /nfs/dbraw/zinc/87/56/44/781875644.db2.gz MEVWTRPDLNJDOY-IJLUTSLNSA-N 1 1 309.370 -1.037 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190633311 781875671 /nfs/dbraw/zinc/87/56/71/781875671.db2.gz HPRHOGBMYCHCNY-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001190712036 781876368 /nfs/dbraw/zinc/87/63/68/781876368.db2.gz BNYDUFVOHIDNMP-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001190712036 781876375 /nfs/dbraw/zinc/87/63/75/781876375.db2.gz BNYDUFVOHIDNMP-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001190709735 781876503 /nfs/dbraw/zinc/87/65/03/781876503.db2.gz WGQMXUQQMGTABG-IJLUTSLNSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001190709735 781876509 /nfs/dbraw/zinc/87/65/09/781876509.db2.gz WGQMXUQQMGTABG-IJLUTSLNSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001190709511 781876658 /nfs/dbraw/zinc/87/66/58/781876658.db2.gz OXHOBBWDVOJUSB-CHWSQXEVSA-N 1 1 309.370 -1.740 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001190717659 781876910 /nfs/dbraw/zinc/87/69/10/781876910.db2.gz NALNWQKGHVJMQS-MXWKQRLJSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001190717659 781876917 /nfs/dbraw/zinc/87/69/17/781876917.db2.gz NALNWQKGHVJMQS-MXWKQRLJSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001190709777 781877137 /nfs/dbraw/zinc/87/71/37/781877137.db2.gz WWANTSRBSBTIHF-CHWSQXEVSA-N 1 1 309.370 -1.740 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001190718046 781877476 /nfs/dbraw/zinc/87/74/76/781877476.db2.gz SUZQZUQHUKYHPO-VXGBXAGGSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001190718046 781877482 /nfs/dbraw/zinc/87/74/82/781877482.db2.gz SUZQZUQHUKYHPO-VXGBXAGGSA-N 1 1 312.370 -2.094 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001190786019 781881137 /nfs/dbraw/zinc/88/11/37/781881137.db2.gz JYQVVGXZNDWFOH-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001190786019 781881145 /nfs/dbraw/zinc/88/11/45/781881145.db2.gz JYQVVGXZNDWFOH-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cn1 ZINC001190751410 781881335 /nfs/dbraw/zinc/88/13/35/781881335.db2.gz YXMFNTLIWXEGOY-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001190751410 781881340 /nfs/dbraw/zinc/88/13/40/781881340.db2.gz YXMFNTLIWXEGOY-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001190785793 781881450 /nfs/dbraw/zinc/88/14/50/781881450.db2.gz GLYMLWWZWLZJNO-FBIMIBRVSA-N 1 1 312.326 -2.036 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001190850794 781882663 /nfs/dbraw/zinc/88/26/63/781882663.db2.gz ALJWSBIEFJASNE-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001190858781 781883227 /nfs/dbraw/zinc/88/32/27/781883227.db2.gz DZBJANCSSJAJEE-IJLUTSLNSA-N 1 1 309.370 -1.037 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001190842836 781883615 /nfs/dbraw/zinc/88/36/15/781883615.db2.gz ZOSVKCZWURNMOZ-JHJVBQTASA-N 1 1 312.370 -1.558 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001190895123 781885074 /nfs/dbraw/zinc/88/50/74/781885074.db2.gz QOSMNALIOFZBJF-MVWJERBFSA-N 1 1 303.359 -2.319 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001190895123 781885084 /nfs/dbraw/zinc/88/50/84/781885084.db2.gz QOSMNALIOFZBJF-MVWJERBFSA-N 1 1 303.359 -2.319 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922679 781887916 /nfs/dbraw/zinc/88/79/16/781887916.db2.gz LJLAJKSFPXIMCV-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001190977038 781888626 /nfs/dbraw/zinc/88/86/26/781888626.db2.gz AKJPFGVVNZQXEB-IVZWLZJFSA-N 1 1 323.357 -2.405 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001190977095 781888660 /nfs/dbraw/zinc/88/86/60/781888660.db2.gz BZICJDFRMYVLFJ-RKDXNWHRSA-N 1 1 306.313 -1.139 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190972417 781888941 /nfs/dbraw/zinc/88/89/41/781888941.db2.gz AIPIQDHKBXMBBG-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001190977471 781889193 /nfs/dbraw/zinc/88/91/93/781889193.db2.gz ICFRTLDVNKBKGC-GHMZBOCLSA-N 1 1 300.359 -1.615 20 0 DAADMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001190977680 781889620 /nfs/dbraw/zinc/88/96/20/781889620.db2.gz LTVRSATYVQCAOL-HBNTYKKESA-N 1 1 314.386 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001190977513 781889778 /nfs/dbraw/zinc/88/97/78/781889778.db2.gz JQGVVSLAXBVYAF-HBNTYKKESA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001190978729 781890416 /nfs/dbraw/zinc/89/04/16/781890416.db2.gz YXKZZNQRYQZCIG-JHJVBQTASA-N 1 1 322.365 -1.450 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981241 781890586 /nfs/dbraw/zinc/89/05/86/781890586.db2.gz KXOIAFUXLLPBNL-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981241 781890594 /nfs/dbraw/zinc/89/05/94/781890594.db2.gz KXOIAFUXLLPBNL-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981239 781891378 /nfs/dbraw/zinc/89/13/78/781891378.db2.gz KXOIAFUXLLPBNL-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981239 781891386 /nfs/dbraw/zinc/89/13/86/781891386.db2.gz KXOIAFUXLLPBNL-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)O)C1 ZINC001190988484 781891436 /nfs/dbraw/zinc/89/14/36/781891436.db2.gz FAQNPILJBZJKLZ-PWSUYJOCSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC001190989256 781892008 /nfs/dbraw/zinc/89/20/08/781892008.db2.gz NIAWZJBLIUHRAN-LLVKDONJSA-N 1 1 302.350 -1.259 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC001190989256 781892016 /nfs/dbraw/zinc/89/20/16/781892016.db2.gz NIAWZJBLIUHRAN-LLVKDONJSA-N 1 1 302.350 -1.259 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981240 781892036 /nfs/dbraw/zinc/89/20/36/781892036.db2.gz KXOIAFUXLLPBNL-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981240 781892044 /nfs/dbraw/zinc/89/20/44/781892044.db2.gz KXOIAFUXLLPBNL-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cc1=O ZINC001190952931 781893240 /nfs/dbraw/zinc/89/32/40/781893240.db2.gz UBHBURIWOSUMOG-GHMZBOCLSA-N 1 1 323.353 -2.285 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952342 781893525 /nfs/dbraw/zinc/89/35/25/781893525.db2.gz GSJXKRFMPTZKJP-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952342 781893537 /nfs/dbraw/zinc/89/35/37/781893537.db2.gz GSJXKRFMPTZKJP-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001191062183 781894888 /nfs/dbraw/zinc/89/48/88/781894888.db2.gz SHQRQXQPLGDQQL-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191062183 781894896 /nfs/dbraw/zinc/89/48/96/781894896.db2.gz SHQRQXQPLGDQQL-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191120491 781896460 /nfs/dbraw/zinc/89/64/60/781896460.db2.gz VEFSSCDMWNWTKM-RKDXNWHRSA-N 1 1 323.357 -1.205 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092447 781898563 /nfs/dbraw/zinc/89/85/63/781898563.db2.gz XOWLMFINDQCPQD-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H]1COCCO1 ZINC001191167145 781898833 /nfs/dbraw/zinc/89/88/33/781898833.db2.gz AYKSMIDRYYFGSM-GMTAPVOTSA-N 1 1 324.324 -1.155 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H]1COCCO1 ZINC001191167145 781898839 /nfs/dbraw/zinc/89/88/39/781898839.db2.gz AYKSMIDRYYFGSM-GMTAPVOTSA-N 1 1 324.324 -1.155 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001191167749 781899704 /nfs/dbraw/zinc/89/97/04/781899704.db2.gz FIJKPFRDJPRYIJ-UPJWGTAASA-N 1 1 302.371 -1.012 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001191170427 781900705 /nfs/dbraw/zinc/90/07/05/781900705.db2.gz UIDRGWPRVGKKPO-UPJWGTAASA-N 1 1 318.370 -1.774 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001191170427 781900713 /nfs/dbraw/zinc/90/07/13/781900713.db2.gz UIDRGWPRVGKKPO-UPJWGTAASA-N 1 1 318.370 -1.774 20 0 DAADMO Cn1cncc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191171002 781901174 /nfs/dbraw/zinc/90/11/74/781901174.db2.gz VMCXSFAIDIOIPF-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cncc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191171002 781901179 /nfs/dbraw/zinc/90/11/79/781901179.db2.gz VMCXSFAIDIOIPF-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191141661 781901885 /nfs/dbraw/zinc/90/18/85/781901885.db2.gz NFGLXAGHZSPPLF-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191141661 781901891 /nfs/dbraw/zinc/90/18/91/781901891.db2.gz NFGLXAGHZSPPLF-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001191168716 781901974 /nfs/dbraw/zinc/90/19/74/781901974.db2.gz JLBNCJVEHLRJFQ-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CC(C)OCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191178077 781902649 /nfs/dbraw/zinc/90/26/49/781902649.db2.gz LBYSNSNDAWWHJR-CHWSQXEVSA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)n1cccn1 ZINC001191178051 781903355 /nfs/dbraw/zinc/90/33/55/781903355.db2.gz KMFJONOPGUTVEF-YNEHKIRRSA-N 1 1 312.370 -1.386 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)n1cccn1 ZINC001191178051 781903361 /nfs/dbraw/zinc/90/33/61/781903361.db2.gz KMFJONOPGUTVEF-YNEHKIRRSA-N 1 1 312.370 -1.386 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191295100 781905065 /nfs/dbraw/zinc/90/50/65/781905065.db2.gz QOOFZGCTLWBFBI-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191295100 781905071 /nfs/dbraw/zinc/90/50/71/781905071.db2.gz QOOFZGCTLWBFBI-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001191355918 781906784 /nfs/dbraw/zinc/90/67/84/781906784.db2.gz KNAGBLVAXUYDEO-GHMZBOCLSA-N 1 1 303.359 -1.071 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126241 781906950 /nfs/dbraw/zinc/90/69/50/781906950.db2.gz KZOHDHCTAKXJLI-JYAVWHMHSA-N 1 1 312.414 -1.301 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001191320445 781907207 /nfs/dbraw/zinc/90/72/07/781907207.db2.gz AWWGLCZOSNMBJV-CHWSQXEVSA-N 1 1 321.381 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441774 781911606 /nfs/dbraw/zinc/91/16/06/781911606.db2.gz PMWFCFWPYHCXQN-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)ncc1=O ZINC001191442758 781911699 /nfs/dbraw/zinc/91/16/99/781911699.db2.gz XNJRGMSRNRIMIQ-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@@H](O)CN2CCOCC2)C1=O ZINC001191474545 781912129 /nfs/dbraw/zinc/91/21/29/781912129.db2.gz IYAFGJMZTCQPAN-VXGBXAGGSA-N 1 1 314.386 -1.448 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001191500759 781914671 /nfs/dbraw/zinc/91/46/71/781914671.db2.gz QPMYFBGLQWAXCF-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001191500759 781914678 /nfs/dbraw/zinc/91/46/78/781914678.db2.gz QPMYFBGLQWAXCF-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO CCCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191580176 781915137 /nfs/dbraw/zinc/91/51/37/781915137.db2.gz GDGINVHMWNEKOB-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CCCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191580176 781915143 /nfs/dbraw/zinc/91/51/43/781915143.db2.gz GDGINVHMWNEKOB-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2[nH]ncc2-c2ccccn2)[C@H]2NCN[C@H]21 ZINC001191501333 781915550 /nfs/dbraw/zinc/91/55/50/781915550.db2.gz UNUTVALYNGQETB-YNEHKIRRSA-N 1 1 314.353 -1.396 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001191675322 781916080 /nfs/dbraw/zinc/91/60/80/781916080.db2.gz VRVBFXNHSWNLMF-RKDXNWHRSA-N 1 1 323.357 -1.157 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001191675321 781916821 /nfs/dbraw/zinc/91/68/21/781916821.db2.gz VRVBFXNHSWNLMF-IUCAKERBSA-N 1 1 323.357 -1.157 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191613889 781916881 /nfs/dbraw/zinc/91/68/81/781916881.db2.gz BBCFSIWJFMOHHC-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191613889 781916891 /nfs/dbraw/zinc/91/68/91/781916891.db2.gz BBCFSIWJFMOHHC-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)NC1=O ZINC001191719690 781918055 /nfs/dbraw/zinc/91/80/55/781918055.db2.gz NWYACIDGYSJSFF-NEPJUHHUSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191718355 781918693 /nfs/dbraw/zinc/91/86/93/781918693.db2.gz DRCWJPNOYVUPHS-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191718355 781918696 /nfs/dbraw/zinc/91/86/96/781918696.db2.gz DRCWJPNOYVUPHS-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377434015 921819715 /nfs/dbraw/zinc/81/97/15/921819715.db2.gz MXMWIHNUVWBAOV-GHMZBOCLSA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376870809 921738844 /nfs/dbraw/zinc/73/88/44/921738844.db2.gz UPIOFMRCXFOQCT-SNVBAGLBSA-N 1 1 320.357 -1.306 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)CCO1 ZINC001376860928 921739037 /nfs/dbraw/zinc/73/90/37/921739037.db2.gz JKFVMDLPQUMGFQ-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001376883387 921742391 /nfs/dbraw/zinc/74/23/91/921742391.db2.gz OTOGQVFAXPFHMH-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001376882124 921742597 /nfs/dbraw/zinc/74/25/97/921742597.db2.gz LHOYIXYZUGKNDT-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2ncnn2C)c(=O)n1C ZINC001376879231 921743467 /nfs/dbraw/zinc/74/34/67/921743467.db2.gz YEMVLLXIGBLLFC-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ncnn1C ZINC001376915728 921745681 /nfs/dbraw/zinc/74/56/81/921745681.db2.gz BJTRGWVWTJROJG-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001376922768 921747889 /nfs/dbraw/zinc/74/78/89/921747889.db2.gz NXZJYBOGYFQTLX-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001376939410 921750136 /nfs/dbraw/zinc/75/01/36/921750136.db2.gz QUZAWAIPUOPBCE-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CCNC(=O)CCn1ccnn1)[NH2+]Cc1nnn(C)n1 ZINC001377022889 921757414 /nfs/dbraw/zinc/75/74/14/921757414.db2.gz YYHGUORAPLWIDX-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001376970838 921754873 /nfs/dbraw/zinc/75/48/73/921754873.db2.gz ATGXDVGLKDNLTN-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001376970831 921755636 /nfs/dbraw/zinc/75/56/36/921755636.db2.gz ATGXDVGLKDNLTN-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnn(C)n1 ZINC001377056231 921760606 /nfs/dbraw/zinc/76/06/06/921760606.db2.gz YMOJCRIABJPBAZ-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(C)=O ZINC001377108830 921765184 /nfs/dbraw/zinc/76/51/84/921765184.db2.gz HZSIKTNXGHJHDF-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001377108830 921765195 /nfs/dbraw/zinc/76/51/95/921765195.db2.gz HZSIKTNXGHJHDF-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC(=O)NC1CC1 ZINC001377115729 921766045 /nfs/dbraw/zinc/76/60/45/921766045.db2.gz DOTAIKOHRXAYOG-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)NC(=O)NC1CC1 ZINC001377115729 921766067 /nfs/dbraw/zinc/76/60/67/921766067.db2.gz DOTAIKOHRXAYOG-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCNC(N)=O)C2 ZINC001377129963 921769993 /nfs/dbraw/zinc/76/99/93/921769993.db2.gz HUAWJZQQYCOOAB-AWEZNQCLSA-N 1 1 311.386 -1.155 20 0 DAADMO CCN(C)C(=O)CN(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377138567 921770046 /nfs/dbraw/zinc/77/00/46/921770046.db2.gz ILIHVGYKCYAFHT-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CCN(C)C(=O)CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377138567 921770053 /nfs/dbraw/zinc/77/00/53/921770053.db2.gz ILIHVGYKCYAFHT-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377129702 921770539 /nfs/dbraw/zinc/77/05/39/921770539.db2.gz NSJOYLTWFJRCMT-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377129702 921770549 /nfs/dbraw/zinc/77/05/49/921770549.db2.gz NSJOYLTWFJRCMT-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO Cc1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)[nH]n1 ZINC001377127699 921770938 /nfs/dbraw/zinc/77/09/38/921770938.db2.gz BJTQMYYKVOGLSQ-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)[nH]n1 ZINC001377127699 921770947 /nfs/dbraw/zinc/77/09/47/921770947.db2.gz BJTQMYYKVOGLSQ-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)nnn1C ZINC001377139627 921772018 /nfs/dbraw/zinc/77/20/18/921772018.db2.gz LAMVCWQJEBSYDS-MRVPVSSYSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)nnn1C ZINC001377139627 921772029 /nfs/dbraw/zinc/77/20/29/921772029.db2.gz LAMVCWQJEBSYDS-MRVPVSSYSA-N 1 1 311.346 -1.631 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)nn1 ZINC001377150335 921773058 /nfs/dbraw/zinc/77/30/58/921773058.db2.gz KVBMBLDCNULRFI-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)nn1 ZINC001377150335 921773074 /nfs/dbraw/zinc/77/30/74/921773074.db2.gz KVBMBLDCNULRFI-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1CCNC1=O ZINC001377157575 921773756 /nfs/dbraw/zinc/77/37/56/921773756.db2.gz BLZQDPXTWBAUPA-JTQLQIEISA-N 1 1 323.401 -1.093 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1CCNC1=O ZINC001377157575 921773764 /nfs/dbraw/zinc/77/37/64/921773764.db2.gz BLZQDPXTWBAUPA-JTQLQIEISA-N 1 1 323.401 -1.093 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)nnn1C ZINC001377139631 921773800 /nfs/dbraw/zinc/77/38/00/921773800.db2.gz LAMVCWQJEBSYDS-QMMMGPOBSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)nnn1C ZINC001377139631 921773806 /nfs/dbraw/zinc/77/38/06/921773806.db2.gz LAMVCWQJEBSYDS-QMMMGPOBSA-N 1 1 311.346 -1.631 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)CC1=O ZINC001377166240 921775271 /nfs/dbraw/zinc/77/52/71/921775271.db2.gz OTAUACNYHFTKCO-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)CC1=O ZINC001377166240 921775288 /nfs/dbraw/zinc/77/52/88/921775288.db2.gz OTAUACNYHFTKCO-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)C[C@H]2CCOC2)c1=O ZINC001377165368 921775640 /nfs/dbraw/zinc/77/56/40/921775640.db2.gz WRVLAKCXFCMGER-GFCCVEGCSA-N 1 1 324.381 -1.369 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001377163889 921776385 /nfs/dbraw/zinc/77/63/85/921776385.db2.gz TXYRPOJZLIJKGZ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001377163889 921776391 /nfs/dbraw/zinc/77/63/91/921776391.db2.gz TXYRPOJZLIJKGZ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)CC1=O ZINC001377166235 921776508 /nfs/dbraw/zinc/77/65/08/921776508.db2.gz OTAUACNYHFTKCO-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)CC1=O ZINC001377166235 921776524 /nfs/dbraw/zinc/77/65/24/921776524.db2.gz OTAUACNYHFTKCO-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001377167021 921777725 /nfs/dbraw/zinc/77/77/25/921777725.db2.gz RNWPYUPLXSHBIV-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001377167021 921777734 /nfs/dbraw/zinc/77/77/34/921777734.db2.gz RNWPYUPLXSHBIV-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001377172394 921778227 /nfs/dbraw/zinc/77/82/27/921778227.db2.gz SWNQCBLNCPJPCZ-UHFFFAOYSA-N 1 1 324.341 -1.607 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001377172394 921778242 /nfs/dbraw/zinc/77/82/42/921778242.db2.gz SWNQCBLNCPJPCZ-UHFFFAOYSA-N 1 1 324.341 -1.607 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)n1 ZINC001377175376 921781033 /nfs/dbraw/zinc/78/10/33/921781033.db2.gz ICCIVOLTJKBWOJ-NSHDSACASA-N 1 1 307.358 -1.266 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001377212554 921782447 /nfs/dbraw/zinc/78/24/47/921782447.db2.gz QIHCDBOPYRDBAQ-NXEZZACHSA-N 1 1 318.399 -1.850 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001377212554 921782453 /nfs/dbraw/zinc/78/24/53/921782453.db2.gz QIHCDBOPYRDBAQ-NXEZZACHSA-N 1 1 318.399 -1.850 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001377205220 921782523 /nfs/dbraw/zinc/78/25/23/921782523.db2.gz HMDMIXWHZSCIGY-IUCAKERBSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001377205220 921782530 /nfs/dbraw/zinc/78/25/30/921782530.db2.gz HMDMIXWHZSCIGY-IUCAKERBSA-N 1 1 313.358 -1.999 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001377212594 921782670 /nfs/dbraw/zinc/78/26/70/921782670.db2.gz QIHCDBOPYRDBAQ-VHSXEESVSA-N 1 1 318.399 -1.850 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001377212594 921782677 /nfs/dbraw/zinc/78/26/77/921782677.db2.gz QIHCDBOPYRDBAQ-VHSXEESVSA-N 1 1 318.399 -1.850 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1)c1cnn[nH]1 ZINC001377199109 921783673 /nfs/dbraw/zinc/78/36/73/921783673.db2.gz QHTASFKOUPPNBG-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377213367 921784196 /nfs/dbraw/zinc/78/41/96/921784196.db2.gz TYBNXEKBXWZXMK-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377213367 921784208 /nfs/dbraw/zinc/78/42/08/921784208.db2.gz TYBNXEKBXWZXMK-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO C[C@@H]([NH2+]CC1(NC(=O)Cc2nnc[nH]2)CCOCC1)C(N)=O ZINC001377204162 921784734 /nfs/dbraw/zinc/78/47/34/921784734.db2.gz IJMPRGBCYPKNCM-SECBINFHSA-N 1 1 310.358 -1.524 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001377221277 921786993 /nfs/dbraw/zinc/78/69/93/921786993.db2.gz GLQUCIDJIAQWLH-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001377221277 921787004 /nfs/dbraw/zinc/78/70/04/921787004.db2.gz GLQUCIDJIAQWLH-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO COCc1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)no1 ZINC001377225732 921788046 /nfs/dbraw/zinc/78/80/46/921788046.db2.gz KKEAZRVQBCHSCK-UHFFFAOYSA-N 1 1 313.314 -1.323 20 0 DAADMO COCc1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)no1 ZINC001377225732 921788059 /nfs/dbraw/zinc/78/80/59/921788059.db2.gz KKEAZRVQBCHSCK-UHFFFAOYSA-N 1 1 313.314 -1.323 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cc(Cl)cn1)CC(=O)NC(N)=O ZINC001377222935 921788238 /nfs/dbraw/zinc/78/82/38/921788238.db2.gz CVOGGCULFHBEFN-UHFFFAOYSA-N 1 1 316.749 -1.221 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cc(Cl)cn1)CC(=O)NC(N)=O ZINC001377222935 921788248 /nfs/dbraw/zinc/78/82/48/921788248.db2.gz CVOGGCULFHBEFN-UHFFFAOYSA-N 1 1 316.749 -1.221 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377232533 921789772 /nfs/dbraw/zinc/78/97/72/921789772.db2.gz MNKCMHLRNLUIEH-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377232533 921789780 /nfs/dbraw/zinc/78/97/80/921789780.db2.gz MNKCMHLRNLUIEH-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO C[N@H+](CCNC(=O)COc1cccnc1)CC(=O)NC(N)=O ZINC001377235495 921790517 /nfs/dbraw/zinc/79/05/17/921790517.db2.gz NXZNEILNBKQROL-UHFFFAOYSA-N 1 1 309.326 -1.297 20 0 DAADMO C[N@@H+](CCNC(=O)COc1cccnc1)CC(=O)NC(N)=O ZINC001377235495 921790527 /nfs/dbraw/zinc/79/05/27/921790527.db2.gz NXZNEILNBKQROL-UHFFFAOYSA-N 1 1 309.326 -1.297 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377234191 921790874 /nfs/dbraw/zinc/79/08/74/921790874.db2.gz FZYIEAXJJMZWKP-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377234191 921790884 /nfs/dbraw/zinc/79/08/84/921790884.db2.gz FZYIEAXJJMZWKP-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CCNC1=O ZINC001377233786 921791108 /nfs/dbraw/zinc/79/11/08/921791108.db2.gz VLOMBVAQBLAXDR-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CCNC1=O ZINC001377233786 921791114 /nfs/dbraw/zinc/79/11/14/921791114.db2.gz VLOMBVAQBLAXDR-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377232536 921791236 /nfs/dbraw/zinc/79/12/36/921791236.db2.gz MNKCMHLRNLUIEH-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377232536 921791250 /nfs/dbraw/zinc/79/12/50/921791250.db2.gz MNKCMHLRNLUIEH-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001377247131 921791865 /nfs/dbraw/zinc/79/18/65/921791865.db2.gz ITOGFZLISAROTP-WCBMZHEXSA-N 1 1 308.342 -1.416 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CCNC1=O ZINC001377233789 921792329 /nfs/dbraw/zinc/79/23/29/921792329.db2.gz VLOMBVAQBLAXDR-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CCNC1=O ZINC001377233789 921792339 /nfs/dbraw/zinc/79/23/39/921792339.db2.gz VLOMBVAQBLAXDR-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001377249564 921792855 /nfs/dbraw/zinc/79/28/55/921792855.db2.gz AKHWAAABXJFRKA-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001377249564 921792859 /nfs/dbraw/zinc/79/28/59/921792859.db2.gz AKHWAAABXJFRKA-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001377247130 921792914 /nfs/dbraw/zinc/79/29/14/921792914.db2.gz ITOGFZLISAROTP-SCZZXKLOSA-N 1 1 308.342 -1.416 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377264519 921794065 /nfs/dbraw/zinc/79/40/65/921794065.db2.gz BMGBKRGEUHHUQW-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001377265891 921794103 /nfs/dbraw/zinc/79/41/03/921794103.db2.gz JINSJBWVBSXEBS-NSHDSACASA-N 1 1 315.399 -1.340 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CCS(=O)(=O)N2)cn1 ZINC001377265891 921794116 /nfs/dbraw/zinc/79/41/16/921794116.db2.gz JINSJBWVBSXEBS-NSHDSACASA-N 1 1 315.399 -1.340 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001377281485 921798000 /nfs/dbraw/zinc/79/80/00/921798000.db2.gz RIKDVTODXVWGAV-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001377281487 921798681 /nfs/dbraw/zinc/79/86/81/921798681.db2.gz RIKDVTODXVWGAV-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CC[C@@H]1CCOC1 ZINC001377277612 921798809 /nfs/dbraw/zinc/79/88/09/921798809.db2.gz USKLXYYBXPTMQN-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COC ZINC001377325524 921800667 /nfs/dbraw/zinc/80/06/67/921800667.db2.gz MGIJDKFFHSRASX-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COC ZINC001377325524 921800677 /nfs/dbraw/zinc/80/06/77/921800677.db2.gz MGIJDKFFHSRASX-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)C[C@H](O)COC ZINC001377310884 921801275 /nfs/dbraw/zinc/80/12/75/921801275.db2.gz OTNRBFLLFZZMSU-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COC ZINC001377325535 921801374 /nfs/dbraw/zinc/80/13/74/921801374.db2.gz MGIJDKFFHSRASX-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COC ZINC001377325535 921801390 /nfs/dbraw/zinc/80/13/90/921801390.db2.gz MGIJDKFFHSRASX-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)C[C@@H](O)COC ZINC001377310885 921802136 /nfs/dbraw/zinc/80/21/36/921802136.db2.gz OTNRBFLLFZZMSU-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)NC)[C@H]1CCNC1=O ZINC001377332955 921802246 /nfs/dbraw/zinc/80/22/46/921802246.db2.gz VZOONVTZROCQEN-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)n1cncn1)CC(=O)NC(N)=O ZINC001377298702 921802565 /nfs/dbraw/zinc/80/25/65/921802565.db2.gz GSXISYRHMIEHMM-VIFPVBQESA-N 1 1 311.346 -1.528 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)n1cncn1)CC(=O)NC(N)=O ZINC001377298702 921802577 /nfs/dbraw/zinc/80/25/77/921802577.db2.gz GSXISYRHMIEHMM-VIFPVBQESA-N 1 1 311.346 -1.528 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CC1CC1 ZINC001377331461 921802806 /nfs/dbraw/zinc/80/28/06/921802806.db2.gz FYCNFBODBDJOLM-NSHDSACASA-N 1 1 317.411 -1.252 20 0 DAADMO CC[N@H+](CCNC(=O)CO[C@@H]1CCOC1)CC(=O)NC(N)=O ZINC001377311102 921803125 /nfs/dbraw/zinc/80/31/25/921803125.db2.gz WVTWHZFEOXWTNW-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO CC[N@@H+](CCNC(=O)CO[C@@H]1CCOC1)CC(=O)NC(N)=O ZINC001377311102 921803136 /nfs/dbraw/zinc/80/31/36/921803136.db2.gz WVTWHZFEOXWTNW-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001377325491 921803338 /nfs/dbraw/zinc/80/33/38/921803338.db2.gz LOXNGCATEJVNJP-CYBMUJFWSA-N 1 1 301.387 -1.532 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001377372596 921808305 /nfs/dbraw/zinc/80/83/05/921808305.db2.gz HYIIEGAPAXYXDC-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001377372596 921808318 /nfs/dbraw/zinc/80/83/18/921808318.db2.gz HYIIEGAPAXYXDC-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377367953 921809862 /nfs/dbraw/zinc/80/98/62/921809862.db2.gz MQTAWQUODJVIHH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377367953 921809868 /nfs/dbraw/zinc/80/98/68/921809868.db2.gz MQTAWQUODJVIHH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO COCCNC(=O)CN1CC[NH+](CCCNC(C)=O)CC1 ZINC000150264098 916082906 /nfs/dbraw/zinc/08/29/06/916082906.db2.gz SWUKXDUGMNSVNS-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)nn1 ZINC000971483113 916086515 /nfs/dbraw/zinc/08/65/15/916086515.db2.gz ALXIKXZPSYPKRY-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)nn1 ZINC000971527531 916086664 /nfs/dbraw/zinc/08/66/64/916086664.db2.gz CWGXXGGDAZQVMT-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)nn1 ZINC000971527531 916086680 /nfs/dbraw/zinc/08/66/80/916086680.db2.gz CWGXXGGDAZQVMT-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000971480991 916086849 /nfs/dbraw/zinc/08/68/49/916086849.db2.gz CLWLWHHEIHUIEM-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974392824 916089795 /nfs/dbraw/zinc/08/97/95/916089795.db2.gz KREJCHNALZFWPI-WYUUTHIRSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974392825 916091281 /nfs/dbraw/zinc/09/12/81/916091281.db2.gz KREJCHNALZFWPI-YFKTTZPYSA-N 1 1 323.397 -1.085 20 0 DAADMO O=C(CN1CCOCC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003032812 916095022 /nfs/dbraw/zinc/09/50/22/916095022.db2.gz MERXKFUHHPIVNQ-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001022034438 916095719 /nfs/dbraw/zinc/09/57/19/916095719.db2.gz SYUXVSWEMYVXBY-HRDYMLBCSA-N 1 1 324.341 -1.019 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCN2C)C1)c1nnnn1C ZINC001021991480 916096224 /nfs/dbraw/zinc/09/62/24/916096224.db2.gz RAWDMRDUGKDGHE-NNYUYHANSA-N 1 1 323.401 -1.162 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001022042451 916096883 /nfs/dbraw/zinc/09/68/83/916096883.db2.gz DEPHYPMZUMISQK-XHNCKOQMSA-N 1 1 305.346 -1.050 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022022079 916097506 /nfs/dbraw/zinc/09/75/06/916097506.db2.gz IUQNYRQLASWLFT-AOOOYVTPSA-N 1 1 304.358 -1.077 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033087919 916099086 /nfs/dbraw/zinc/09/90/86/916099086.db2.gz QZSDWQYDMGQORC-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033087919 916099106 /nfs/dbraw/zinc/09/91/06/916099106.db2.gz QZSDWQYDMGQORC-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095590 916099147 /nfs/dbraw/zinc/09/91/47/916099147.db2.gz BMRRXTLUVOISOH-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(C)nn1C ZINC001083827580 916106028 /nfs/dbraw/zinc/10/60/28/916106028.db2.gz ZFXSOFUUAYBCSD-GDPRMGEGSA-N 1 1 312.370 -1.107 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 ZINC001105146570 916113154 /nfs/dbraw/zinc/11/31/54/916113154.db2.gz GWMABVVGUBZBFV-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)CNC(N)=O)C2)nn1 ZINC001105155510 916116834 /nfs/dbraw/zinc/11/68/34/916116834.db2.gz HWTOGPAHEGTGRR-UHFFFAOYSA-N 1 1 311.346 -1.934 20 0 DAADMO O=C(c1cnsn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105171225 916117743 /nfs/dbraw/zinc/11/77/43/916117743.db2.gz DSLXUGIKNXQEMW-UHFFFAOYSA-N 1 1 309.355 -1.091 20 0 DAADMO Cn1nccc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105182108 916121509 /nfs/dbraw/zinc/12/15/09/916121509.db2.gz XNUUXMMLPGVFMB-UHFFFAOYSA-N 1 1 305.342 -1.209 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105188344 916123280 /nfs/dbraw/zinc/12/32/80/916123280.db2.gz YNJCCVHOLBSACE-NEPJUHHUSA-N 1 1 323.353 -1.448 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105192214 916123459 /nfs/dbraw/zinc/12/34/59/916123459.db2.gz NIEREFGAMVDAGK-GFCCVEGCSA-N 1 1 321.385 -1.670 20 0 DAADMO O=C(c1cncnc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105217829 916126799 /nfs/dbraw/zinc/12/67/99/916126799.db2.gz MXBMFGZVLGPOMF-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncccc1O ZINC001126131396 916139476 /nfs/dbraw/zinc/13/94/76/916139476.db2.gz UWIVNFYXTMMSIH-MRVPVSSYSA-N 1 1 309.326 -1.049 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cnc(N)nc1)C2 ZINC001138163740 916142858 /nfs/dbraw/zinc/14/28/58/916142858.db2.gz BSTKNBBGGYAVHU-AWEZNQCLSA-N 1 1 304.354 -1.018 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1cnc(N)nc1)C2 ZINC001138163740 916142865 /nfs/dbraw/zinc/14/28/65/916142865.db2.gz BSTKNBBGGYAVHU-AWEZNQCLSA-N 1 1 304.354 -1.018 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001150340091 916144344 /nfs/dbraw/zinc/14/43/44/916144344.db2.gz WICDKCJWRRHJLB-SSDOTTSWSA-N 1 1 309.330 -1.568 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001187304876 916153454 /nfs/dbraw/zinc/15/34/54/916153454.db2.gz OQQAEYZQCKZQEW-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247787 916156796 /nfs/dbraw/zinc/15/67/96/916156796.db2.gz SKTODWVDJRUTLN-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246422 916156884 /nfs/dbraw/zinc/15/68/84/916156884.db2.gz BSJYLLJFPJAYKE-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198425008 916165168 /nfs/dbraw/zinc/16/51/68/916165168.db2.gz WLCADFGJNUCDLA-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198425008 916165177 /nfs/dbraw/zinc/16/51/77/916165177.db2.gz WLCADFGJNUCDLA-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198416905 916165382 /nfs/dbraw/zinc/16/53/82/916165382.db2.gz SDPTWMQCKXNTGX-ZIAGYGMSSA-N 1 1 321.377 -1.501 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccn[nH]2)CCCO1 ZINC001199904175 916166700 /nfs/dbraw/zinc/16/67/00/916166700.db2.gz OJJSGDVJRWONBM-VIFPVBQESA-N 1 1 324.341 -1.575 20 0 DAADMO COC(=O)CO[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001251024198 916171638 /nfs/dbraw/zinc/17/16/38/916171638.db2.gz QBTWYBAJZAXCLA-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO CCOC(=O)C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)OCC ZINC001251034928 916171719 /nfs/dbraw/zinc/17/17/19/916171719.db2.gz CVFZMWDGYQLXBA-NSHDSACASA-N 1 1 318.370 -1.236 20 0 DAADMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2ncncn2)CC1 ZINC001251024929 916171766 /nfs/dbraw/zinc/17/17/66/916171766.db2.gz SHUOWWVRDIQLGX-CYBMUJFWSA-N 1 1 308.386 -1.313 20 0 DAADMO COC(=O)CO[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251024199 916172053 /nfs/dbraw/zinc/17/20/53/916172053.db2.gz QBTWYBAJZAXCLA-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C ZINC001251022750 916172534 /nfs/dbraw/zinc/17/25/34/916172534.db2.gz ZAQSVBREJUUXLL-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1C ZINC001251022750 916172539 /nfs/dbraw/zinc/17/25/39/916172539.db2.gz ZAQSVBREJUUXLL-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCCO1 ZINC001251025296 916172707 /nfs/dbraw/zinc/17/27/07/916172707.db2.gz WDDKLSUYJFDFFF-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266742493 916181111 /nfs/dbraw/zinc/18/11/11/916181111.db2.gz APYQKSMDVTURST-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266746584 916181354 /nfs/dbraw/zinc/18/13/54/916181354.db2.gz HEYAZQZWJILAIL-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001266746584 916181356 /nfs/dbraw/zinc/18/13/56/916181356.db2.gz HEYAZQZWJILAIL-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO Cn1ccnc(NC(=O)NCC[N@@H+](C)CCOCCO)c1=O ZINC001310492562 916206989 /nfs/dbraw/zinc/20/69/89/916206989.db2.gz ARCNFZBBSXSPTA-UHFFFAOYSA-N 1 1 313.358 -1.158 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1=O ZINC001313441827 916215319 /nfs/dbraw/zinc/21/53/19/916215319.db2.gz ZTQGXLTUBZHXJK-NWDGAFQWSA-N 1 1 320.393 -1.113 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001316742998 916221050 /nfs/dbraw/zinc/22/10/50/916221050.db2.gz ARKAZTNNRJTIBB-ZDUSSCGKSA-N 1 1 322.365 -1.296 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001316742998 916221073 /nfs/dbraw/zinc/22/10/73/916221073.db2.gz ARKAZTNNRJTIBB-ZDUSSCGKSA-N 1 1 322.365 -1.296 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001316762961 916221533 /nfs/dbraw/zinc/22/15/33/916221533.db2.gz MYHZIMADLPYHAM-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO CN(CCOCC[N@H+](C)CC(=O)NC(C)(C)C)C(=O)C(N)=O ZINC001316763818 916222244 /nfs/dbraw/zinc/22/22/44/916222244.db2.gz YZBSJKQJFFLENR-UHFFFAOYSA-N 1 1 316.402 -1.207 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(=O)NC(C)(C)C)C(=O)C(N)=O ZINC001316763818 916222265 /nfs/dbraw/zinc/22/22/65/916222265.db2.gz YZBSJKQJFFLENR-UHFFFAOYSA-N 1 1 316.402 -1.207 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001316767844 916223313 /nfs/dbraw/zinc/22/33/13/916223313.db2.gz WKYZMQHPYHVABQ-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1ccn(C)n1 ZINC001316823122 916225963 /nfs/dbraw/zinc/22/59/63/916225963.db2.gz CQYGXEIOGGOYDQ-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO Cn1cc(C[N@H+](CCO)C2CCN(C(=O)CC(N)=O)CC2)nn1 ZINC001316811142 916226404 /nfs/dbraw/zinc/22/64/04/916226404.db2.gz XXBMLKXOSXECSS-UHFFFAOYSA-N 1 1 324.385 -1.524 20 0 DAADMO Cn1cc(C[N@@H+](CCO)C2CCN(C(=O)CC(N)=O)CC2)nn1 ZINC001316811142 916226427 /nfs/dbraw/zinc/22/64/27/916226427.db2.gz XXBMLKXOSXECSS-UHFFFAOYSA-N 1 1 324.385 -1.524 20 0 DAADMO C[N@@H+](CCCNC(=O)C[C@@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001316816530 916227233 /nfs/dbraw/zinc/22/72/33/916227233.db2.gz CGKPDKLWWFFRSN-VIFPVBQESA-N 1 1 314.342 -1.427 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001316820357 916228405 /nfs/dbraw/zinc/22/84/05/916228405.db2.gz VSWFYIXEIHHCGO-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO Cn1nncc1C[N@H+](C)CCCNC(=O)CN1CCOCC1=O ZINC001316829005 916229535 /nfs/dbraw/zinc/22/95/35/916229535.db2.gz XXYUSZBKWCODDE-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO Cn1nncc1C[N@@H+](C)CCCNC(=O)CN1CCOCC1=O ZINC001316829005 916229553 /nfs/dbraw/zinc/22/95/53/916229553.db2.gz XXYUSZBKWCODDE-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001316859995 916231431 /nfs/dbraw/zinc/23/14/31/916231431.db2.gz SOBZPMJDLGOFNC-SNVBAGLBSA-N 1 1 301.391 -1.007 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)c1nccnc1C(N)=O ZINC001316866905 916232406 /nfs/dbraw/zinc/23/24/06/916232406.db2.gz HYLCIQLPDHVPBC-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001316841766 916233114 /nfs/dbraw/zinc/23/31/14/916233114.db2.gz BTLPSVTUNQDSGS-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)c1nnc[nH]1 ZINC001316855788 916233550 /nfs/dbraw/zinc/23/35/50/916233550.db2.gz SAJAAYRMINUERK-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855788 916233571 /nfs/dbraw/zinc/23/35/71/916233571.db2.gz SAJAAYRMINUERK-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855788 916233592 /nfs/dbraw/zinc/23/35/92/916233592.db2.gz SAJAAYRMINUERK-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855788 916233615 /nfs/dbraw/zinc/23/36/15/916233615.db2.gz SAJAAYRMINUERK-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855788 916233636 /nfs/dbraw/zinc/23/36/36/916233636.db2.gz SAJAAYRMINUERK-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001316841765 916233738 /nfs/dbraw/zinc/23/37/38/916233738.db2.gz BTLPSVTUNQDSGS-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[N@H+](CCCNC(=O)[C@H]1CNC(=O)N1)CC(=O)Nc1ccon1 ZINC001316848546 916233864 /nfs/dbraw/zinc/23/38/64/916233864.db2.gz IXLVAEXBEDUEIM-SECBINFHSA-N 1 1 324.341 -1.267 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)CC(=O)Nc1ccon1 ZINC001316848546 916233884 /nfs/dbraw/zinc/23/38/84/916233884.db2.gz IXLVAEXBEDUEIM-SECBINFHSA-N 1 1 324.341 -1.267 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001316843462 916234086 /nfs/dbraw/zinc/23/40/86/916234086.db2.gz SFCHJQFRPZFVCK-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)c1nnc[nH]1 ZINC001316855789 916234602 /nfs/dbraw/zinc/23/46/02/916234602.db2.gz SAJAAYRMINUERK-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855789 916234624 /nfs/dbraw/zinc/23/46/24/916234624.db2.gz SAJAAYRMINUERK-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)c1ncn[nH]1 ZINC001316855789 916234645 /nfs/dbraw/zinc/23/46/45/916234645.db2.gz SAJAAYRMINUERK-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855789 916234658 /nfs/dbraw/zinc/23/46/58/916234658.db2.gz SAJAAYRMINUERK-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)c1nc[nH]n1 ZINC001316855789 916234677 /nfs/dbraw/zinc/23/46/77/916234677.db2.gz SAJAAYRMINUERK-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001316852915 916236568 /nfs/dbraw/zinc/23/65/68/916236568.db2.gz AAKSOSIBHKIIDQ-VIFPVBQESA-N 1 1 312.370 -1.388 20 0 DAADMO Cn1cc(C[N@H+](CCCNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001316909803 916237942 /nfs/dbraw/zinc/23/79/42/916237942.db2.gz LHEGLARFBCYDPT-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@@H+](CCCNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001316909803 916237959 /nfs/dbraw/zinc/23/79/59/916237959.db2.gz LHEGLARFBCYDPT-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2cnn(C)c2)CC1 ZINC001316954792 916238253 /nfs/dbraw/zinc/23/82/53/916238253.db2.gz XSQSLLPKIVUIIO-UHFFFAOYSA-N 1 1 322.413 -1.096 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCC(=O)NC1=O ZINC001316907785 916238550 /nfs/dbraw/zinc/23/85/50/916238550.db2.gz SADKAACMIVYCMY-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN1CCNC(=O)C1)C[C@H](C)O ZINC001316897520 916240849 /nfs/dbraw/zinc/24/08/49/916240849.db2.gz NGRVHYRXEFNBMR-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO CC[N@@H+](CCCO)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001316908373 916241130 /nfs/dbraw/zinc/24/11/30/916241130.db2.gz BHEBOLAINUGYJO-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1cc(C[N@H+](CCCNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001316914893 916241388 /nfs/dbraw/zinc/24/13/88/916241388.db2.gz MXMRGGCXVRXTOF-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@@H+](CCCNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001316914893 916241414 /nfs/dbraw/zinc/24/14/14/916241414.db2.gz MXMRGGCXVRXTOF-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CC[N@@H+](CCCNC(=O)C1(C(N)=O)CC1)Cc1nc(=O)n(C)[nH]1 ZINC001316902112 916241451 /nfs/dbraw/zinc/24/14/51/916241451.db2.gz WGZAKPLYANTOKC-UHFFFAOYSA-N 1 1 324.385 -1.298 20 0 DAADMO CC[N@H+](CCCNC(=O)[C@H]1CCNC1=O)CCS(C)(=O)=O ZINC001316897762 916241538 /nfs/dbraw/zinc/24/15/38/916241538.db2.gz PREKCNYIARCNSG-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CCNC1=O)CCS(C)(=O)=O ZINC001316897762 916241564 /nfs/dbraw/zinc/24/15/64/916241564.db2.gz PREKCNYIARCNSG-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(N(C)C(=O)CC(N)=O)CC1 ZINC001316931884 916241685 /nfs/dbraw/zinc/24/16/85/916241685.db2.gz PZVKJBVXZVAJFD-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)NCC(=O)NCCC[NH+]1CCN(CCOC)CC1 ZINC001316959464 916243965 /nfs/dbraw/zinc/24/39/65/916243965.db2.gz ZDFBBINOEHVROV-UHFFFAOYSA-N 1 1 315.418 -1.314 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCCO)CC1)[C@@H]1CNC(=O)N1 ZINC001316959565 916245690 /nfs/dbraw/zinc/24/56/90/916245690.db2.gz MEYPSKVTINYCLY-LBPRGKRZSA-N 1 1 313.402 -1.826 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316974403 916250910 /nfs/dbraw/zinc/25/09/10/916250910.db2.gz RAHXEZBVUGAFEU-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316974403 916250927 /nfs/dbraw/zinc/25/09/27/916250927.db2.gz RAHXEZBVUGAFEU-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001316994969 916255289 /nfs/dbraw/zinc/25/52/89/916255289.db2.gz MMSUITOYFDXLPI-MNOVXSKESA-N 1 1 321.399 -2.123 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001317043166 916259027 /nfs/dbraw/zinc/25/90/27/916259027.db2.gz IFZARTPIERYYGQ-WDEREUQCSA-N 1 1 324.381 -1.305 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317088763 916266585 /nfs/dbraw/zinc/26/65/85/916266585.db2.gz SEYJWFRHXUETOJ-GMTAPVOTSA-N 1 1 320.353 -1.221 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317088763 916266602 /nfs/dbraw/zinc/26/66/02/916266602.db2.gz SEYJWFRHXUETOJ-GMTAPVOTSA-N 1 1 320.353 -1.221 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317088760 916267653 /nfs/dbraw/zinc/26/76/53/916267653.db2.gz SEYJWFRHXUETOJ-DCAQKATOSA-N 1 1 320.353 -1.221 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317088760 916267671 /nfs/dbraw/zinc/26/76/71/916267671.db2.gz SEYJWFRHXUETOJ-DCAQKATOSA-N 1 1 320.353 -1.221 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317137579 916268189 /nfs/dbraw/zinc/26/81/89/916268189.db2.gz NDKRKJCJANIMSI-SNVBAGLBSA-N 1 1 310.354 -1.551 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317137579 916268206 /nfs/dbraw/zinc/26/82/06/916268206.db2.gz NDKRKJCJANIMSI-SNVBAGLBSA-N 1 1 310.354 -1.551 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001317121034 916268239 /nfs/dbraw/zinc/26/82/39/916268239.db2.gz IQWAUILGSBMHPL-OCAPTIKFSA-N 1 1 302.360 -1.796 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001317121034 916268255 /nfs/dbraw/zinc/26/82/55/916268255.db2.gz IQWAUILGSBMHPL-OCAPTIKFSA-N 1 1 302.360 -1.796 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001317135946 916269464 /nfs/dbraw/zinc/26/94/64/916269464.db2.gz VDBTVDBVLHCEKZ-RYUDHWBXSA-N 1 1 309.370 -1.443 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001317131704 916270373 /nfs/dbraw/zinc/27/03/73/916270373.db2.gz CRKOBYOXBDUJHW-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCOCCO)C1)[C@@H]1COC(=O)N1 ZINC001317130956 916270716 /nfs/dbraw/zinc/27/07/16/916270716.db2.gz NDGBAJJMXVRVOC-NEPJUHHUSA-N 1 1 315.370 -1.068 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001317316917 916289370 /nfs/dbraw/zinc/28/93/70/916289370.db2.gz JLZLXPKGWMIRBC-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001317371749 916294114 /nfs/dbraw/zinc/29/41/14/916294114.db2.gz VVSOJDGQELMKNE-DTWKUNHWSA-N 1 1 313.358 -1.632 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)c1 ZINC001317440318 916294794 /nfs/dbraw/zinc/29/47/94/916294794.db2.gz ACZWWZNCVOXCLV-UHFFFAOYSA-N 1 1 322.369 -1.209 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCN2C(=O)CNC2=O)c1 ZINC001317441927 916295098 /nfs/dbraw/zinc/29/50/98/916295098.db2.gz BNTVDEQYOJIQEU-UHFFFAOYSA-N 1 1 308.342 -1.367 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001317435987 916295259 /nfs/dbraw/zinc/29/52/59/916295259.db2.gz DMIVCLSGKIYCMU-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)CCN2C(=O)CCC2=O)[nH]1 ZINC001317448688 916297224 /nfs/dbraw/zinc/29/72/24/916297224.db2.gz XOYNVLFABFSQPG-UHFFFAOYSA-N 1 1 322.369 -1.147 20 0 DAADMO Cc1nc(CC(=O)NCC[N@@H+](C)CCN2C(=O)CCC2=O)n[nH]1 ZINC001317448688 916297246 /nfs/dbraw/zinc/29/72/46/916297246.db2.gz XOYNVLFABFSQPG-UHFFFAOYSA-N 1 1 322.369 -1.147 20 0 DAADMO Cc1nc(CC(=O)NCC[N@H+](C)CCN2C(=O)CCC2=O)n[nH]1 ZINC001317448688 916297264 /nfs/dbraw/zinc/29/72/64/916297264.db2.gz XOYNVLFABFSQPG-UHFFFAOYSA-N 1 1 322.369 -1.147 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001317445206 916298669 /nfs/dbraw/zinc/29/86/69/916298669.db2.gz YROOXOPXUWCWKE-GFCCVEGCSA-N 1 1 314.386 -1.007 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O)S(C)(=O)=O ZINC001317458310 916299208 /nfs/dbraw/zinc/29/92/08/916299208.db2.gz GMJNDQHBQLQTNQ-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O)S(C)(=O)=O ZINC001317458310 916299227 /nfs/dbraw/zinc/29/92/27/916299227.db2.gz GMJNDQHBQLQTNQ-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO CC[C@H](C(=O)NCCN(C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317466737 916303502 /nfs/dbraw/zinc/30/35/02/916303502.db2.gz DNDJMJMHNWYTTJ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317461584 916303565 /nfs/dbraw/zinc/30/35/65/916303565.db2.gz YSXCAVBHUHZMPV-GHMZBOCLSA-N 1 1 312.370 -1.246 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317461584 916303581 /nfs/dbraw/zinc/30/35/81/916303581.db2.gz YSXCAVBHUHZMPV-GHMZBOCLSA-N 1 1 312.370 -1.246 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001317465297 916303968 /nfs/dbraw/zinc/30/39/68/916303968.db2.gz MWAKYKHZGXCEOG-JTQLQIEISA-N 1 1 301.343 -1.906 20 0 DAADMO CC[C@@]1(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454021 916304520 /nfs/dbraw/zinc/30/45/20/916304520.db2.gz XCVWOBYYTWRTGQ-MEBBXXQBSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[C@@]1(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454021 916304540 /nfs/dbraw/zinc/30/45/40/916304540.db2.gz XCVWOBYYTWRTGQ-MEBBXXQBSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C[C@@H](C)O ZINC001317486622 916305626 /nfs/dbraw/zinc/30/56/26/916305626.db2.gz CGNHDJSCNMOLQM-SECBINFHSA-N 1 1 314.342 -1.774 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001317471434 916306673 /nfs/dbraw/zinc/30/66/73/916306673.db2.gz IRTLMUDXVCEDQB-VIFPVBQESA-N 1 1 323.353 -1.809 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001317471434 916306689 /nfs/dbraw/zinc/30/66/89/916306689.db2.gz IRTLMUDXVCEDQB-VIFPVBQESA-N 1 1 323.353 -1.809 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCC(=O)NC1=O ZINC001317479346 916308640 /nfs/dbraw/zinc/30/86/40/916308640.db2.gz KVHNFPIKUSWCTI-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001317471429 916311007 /nfs/dbraw/zinc/31/10/07/916311007.db2.gz IRTLMUDXVCEDQB-SECBINFHSA-N 1 1 323.353 -1.809 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n(C)c1=O ZINC001317471429 916311025 /nfs/dbraw/zinc/31/10/25/916311025.db2.gz IRTLMUDXVCEDQB-SECBINFHSA-N 1 1 323.353 -1.809 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501561 916312833 /nfs/dbraw/zinc/31/28/33/916312833.db2.gz JOVFMWMCRFTZTQ-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501561 916312854 /nfs/dbraw/zinc/31/28/54/916312854.db2.gz JOVFMWMCRFTZTQ-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001317500001 916312896 /nfs/dbraw/zinc/31/28/96/916312896.db2.gz UABXNGWFLBUNHF-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001317500002 916315428 /nfs/dbraw/zinc/31/54/28/916315428.db2.gz UABXNGWFLBUNHF-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317510174 916315483 /nfs/dbraw/zinc/31/54/83/916315483.db2.gz VCXYVZQDLAWHGV-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501559 916316979 /nfs/dbraw/zinc/31/69/79/916316979.db2.gz JOVFMWMCRFTZTQ-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501559 916316998 /nfs/dbraw/zinc/31/69/98/916316998.db2.gz JOVFMWMCRFTZTQ-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001317532476 916319217 /nfs/dbraw/zinc/31/92/17/916319217.db2.gz HYAUQPJXKISPMZ-SNVBAGLBSA-N 1 1 323.353 -2.150 20 0 DAADMO CCC[N@H+](CCNC(=O)C1CC(=O)NC(=O)C1)CC(=O)NC ZINC001317543935 916319725 /nfs/dbraw/zinc/31/97/25/916319725.db2.gz BCRUFVPTFNUKHX-UHFFFAOYSA-N 1 1 312.370 -1.387 20 0 DAADMO CCC[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)CC(=O)NC ZINC001317543935 916319745 /nfs/dbraw/zinc/31/97/45/916319745.db2.gz BCRUFVPTFNUKHX-UHFFFAOYSA-N 1 1 312.370 -1.387 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550869 916319788 /nfs/dbraw/zinc/31/97/88/916319788.db2.gz CJGSIKKOKIJRGU-UWVGGRQHSA-N 1 1 324.381 -1.022 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550869 916319806 /nfs/dbraw/zinc/31/98/06/916319806.db2.gz CJGSIKKOKIJRGU-UWVGGRQHSA-N 1 1 324.381 -1.022 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001317523820 916322952 /nfs/dbraw/zinc/32/29/52/916322952.db2.gz VRXSNZMEHDYUSL-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001317528907 916322993 /nfs/dbraw/zinc/32/29/93/916322993.db2.gz UXWXJQDBCKSOLM-MNOVXSKESA-N 1 1 301.387 -1.057 20 0 DAADMO CCC[N@H+](CCNC(=O)C(N)=O)CC(=O)N1CCOCC1 ZINC001317545941 916323641 /nfs/dbraw/zinc/32/36/41/916323641.db2.gz DJUVKENOPKKKET-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CCC[N@@H+](CCNC(=O)C(N)=O)CC(=O)N1CCOCC1 ZINC001317545941 916323665 /nfs/dbraw/zinc/32/36/65/916323665.db2.gz DJUVKENOPKKKET-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001317604352 916329556 /nfs/dbraw/zinc/32/95/56/916329556.db2.gz WPIGHFJGACPJFJ-UHFFFAOYSA-N 1 1 321.341 -1.674 20 0 DAADMO CCCn1ncnc1C[NH2+]CCN(C)C(=O)Cn1ncnn1 ZINC001317587172 916332536 /nfs/dbraw/zinc/33/25/36/916332536.db2.gz DUJOXLNCQCMBAA-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CN(CCNCC(=O)N1CCNC(=O)C1)C(=O)CC[NH+](C)C ZINC001317623674 916341313 /nfs/dbraw/zinc/34/13/13/916341313.db2.gz MLXMPOMTQASNQA-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO CN(CC[NH2+]Cc1ccn(C)n1)C(=O)CN1C(=O)CNC1=O ZINC001317660390 916342570 /nfs/dbraw/zinc/34/25/70/916342570.db2.gz BLEQOQKGKJXGOX-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)c1ccc(=O)n(C)n1 ZINC001317662475 916343249 /nfs/dbraw/zinc/34/32/49/916343249.db2.gz ZXQGMGCCSBSFGA-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001317661112 916346535 /nfs/dbraw/zinc/34/65/35/916346535.db2.gz IHADEJZHJSCOMM-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO COCCNC(=O)C1CC[NH+](CC(=O)NCC(=O)OC)CC1 ZINC001317779952 916349667 /nfs/dbraw/zinc/34/96/67/916349667.db2.gz XVWHNAVKJUGKPC-UHFFFAOYSA-N 1 1 315.370 -1.250 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001317848304 916352710 /nfs/dbraw/zinc/35/27/10/916352710.db2.gz LTPTZKIRBISQHC-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001317832160 916353074 /nfs/dbraw/zinc/35/30/74/916353074.db2.gz ZDPKJEUDFNSWPG-GFCCVEGCSA-N 1 1 322.427 -1.180 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001317856010 916353265 /nfs/dbraw/zinc/35/32/65/916353265.db2.gz ZZIPYFSHINNKKG-QWRGUYRKSA-N 1 1 319.427 -1.067 20 0 DAADMO C[N@H+](CC(N)=O)CC1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001317884181 916353501 /nfs/dbraw/zinc/35/35/01/916353501.db2.gz LGGLQPFMRQSYOC-NSHDSACASA-N 1 1 324.381 -1.305 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001317961628 916356602 /nfs/dbraw/zinc/35/66/02/916356602.db2.gz PFWLFALJICCPHN-QWRGUYRKSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001317961628 916356621 /nfs/dbraw/zinc/35/66/21/916356621.db2.gz PFWLFALJICCPHN-QWRGUYRKSA-N 1 1 317.411 -1.123 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001317933084 916357593 /nfs/dbraw/zinc/35/75/93/916357593.db2.gz UDBBRWDEGSGBNE-SECBINFHSA-N 1 1 308.342 -1.483 20 0 DAADMO CN1CC[NH+](CCCNC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001317982395 916357667 /nfs/dbraw/zinc/35/76/67/916357667.db2.gz TZPXMSHUCQVKEL-UHFFFAOYSA-N 1 1 309.370 -1.297 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001317988470 916358094 /nfs/dbraw/zinc/35/80/94/916358094.db2.gz ZFWBEHGHTOZUJB-WDEREUQCSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001317988470 916358110 /nfs/dbraw/zinc/35/81/10/916358110.db2.gz ZFWBEHGHTOZUJB-WDEREUQCSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001317960543 916358435 /nfs/dbraw/zinc/35/84/35/916358435.db2.gz AJFWPLUPZMTXSJ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001317960543 916358453 /nfs/dbraw/zinc/35/84/53/916358453.db2.gz AJFWPLUPZMTXSJ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001317988468 916359100 /nfs/dbraw/zinc/35/91/00/916359100.db2.gz ZFWBEHGHTOZUJB-QWRGUYRKSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001317988468 916359116 /nfs/dbraw/zinc/35/91/16/916359116.db2.gz ZFWBEHGHTOZUJB-QWRGUYRKSA-N 1 1 308.382 -1.018 20 0 DAADMO COCCC[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001318029209 916362914 /nfs/dbraw/zinc/36/29/14/916362914.db2.gz ONSBKVJFFJBWKL-UHFFFAOYSA-N 1 1 310.354 -1.616 20 0 DAADMO CCNC(=O)CC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318118274 916370605 /nfs/dbraw/zinc/37/06/05/916370605.db2.gz SSNQSGUPXPIJON-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO COCCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001318148311 916370977 /nfs/dbraw/zinc/37/09/77/916370977.db2.gz FXKNDDHNLRMNME-SECBINFHSA-N 1 1 300.359 -1.939 20 0 DAADMO CCNC(=O)CC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318118273 916372356 /nfs/dbraw/zinc/37/23/56/916372356.db2.gz SSNQSGUPXPIJON-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318135511 916373053 /nfs/dbraw/zinc/37/30/53/916373053.db2.gz GCDVGWJOWUPVEP-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)C(=O)NCC(F)F)C2)C1=O ZINC001318128939 916373273 /nfs/dbraw/zinc/37/32/73/916373273.db2.gz BGVVPGRACIDFMP-VIFPVBQESA-N 1 1 318.324 -1.354 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001318173000 916375727 /nfs/dbraw/zinc/37/57/27/916375727.db2.gz LGVSUDMJVFQGGQ-VIFPVBQESA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@@H](C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001318245523 916380673 /nfs/dbraw/zinc/38/06/73/916380673.db2.gz VDRYPWPYHOHFQS-UWVGGRQHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001318245523 916380689 /nfs/dbraw/zinc/38/06/89/916380689.db2.gz VDRYPWPYHOHFQS-UWVGGRQHSA-N 1 1 305.400 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001318284333 916381355 /nfs/dbraw/zinc/38/13/55/916381355.db2.gz IXUCSKULNFOUOO-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC001318351920 916390042 /nfs/dbraw/zinc/39/00/42/916390042.db2.gz YWNQXSGRBORJOF-HTQZYQBOSA-N 1 1 313.276 -1.398 20 0 DAADMO COCCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318402627 916394036 /nfs/dbraw/zinc/39/40/36/916394036.db2.gz LYDPUXGLFGTEKG-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001318445460 916394872 /nfs/dbraw/zinc/39/48/72/916394872.db2.gz NHDWADXEVXYJLH-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001318445460 916394889 /nfs/dbraw/zinc/39/48/89/916394889.db2.gz NHDWADXEVXYJLH-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001318543505 916400754 /nfs/dbraw/zinc/40/07/54/916400754.db2.gz WCDCKOCKZPILMQ-QMMMGPOBSA-N 1 1 304.376 -1.548 20 0 DAADMO CC[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001318613840 916404180 /nfs/dbraw/zinc/40/41/80/916404180.db2.gz JHJYZVYYPZKYAN-NXEZZACHSA-N 1 1 322.369 -1.148 20 0 DAADMO CC[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318614684 916405208 /nfs/dbraw/zinc/40/52/08/916405208.db2.gz QCWKUDQUCDICLC-UWVGGRQHSA-N 1 1 322.369 -1.148 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC001318798364 916410121 /nfs/dbraw/zinc/41/01/21/916410121.db2.gz DOWMRYCYZGPARU-SNVBAGLBSA-N 1 1 312.374 -1.917 20 0 DAADMO CCN1CC[NH+](CCC(=O)NCCNS(C)(=O)=O)CC1 ZINC001318916458 916414590 /nfs/dbraw/zinc/41/45/90/916414590.db2.gz MPTJURSITDFWTH-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)N1CC[NH+](CCO)CC1 ZINC001319000799 916416013 /nfs/dbraw/zinc/41/60/13/916416013.db2.gz KBXVSPRAFZALRP-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001319046322 916417160 /nfs/dbraw/zinc/41/71/60/916417160.db2.gz RRULLRRLCNMSFM-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001319331378 916431866 /nfs/dbraw/zinc/43/18/66/916431866.db2.gz GGFTVVZOLYLUAX-LLVKDONJSA-N 1 1 313.354 -1.665 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001319331378 916431876 /nfs/dbraw/zinc/43/18/76/916431876.db2.gz GGFTVVZOLYLUAX-LLVKDONJSA-N 1 1 313.354 -1.665 20 0 DAADMO NC(=O)C(=O)NCC1([NH2+]Cc2nnc3n2CCOC3)CCCC1 ZINC001319372407 916433015 /nfs/dbraw/zinc/43/30/15/916433015.db2.gz KHAXEYLLFORPLG-UHFFFAOYSA-N 1 1 322.369 -1.188 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001319471731 916435554 /nfs/dbraw/zinc/43/55/54/916435554.db2.gz FBJHGTHMFJWLKS-WPRPVWTQSA-N 1 1 323.357 -1.650 20 0 DAADMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1=O ZINC001319551254 916442996 /nfs/dbraw/zinc/44/29/96/916442996.db2.gz FBBDYLWEICZLLL-UHFFFAOYSA-N 1 1 310.354 -1.139 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001319556724 916444262 /nfs/dbraw/zinc/44/42/62/916444262.db2.gz MZIYNNVZKOTDGK-MRVPVSSYSA-N 1 1 312.326 -1.662 20 0 DAADMO CCCNC(=O)NC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001319647622 916447546 /nfs/dbraw/zinc/44/75/46/916447546.db2.gz IJYXBLLCQXEMMX-UHFFFAOYSA-N 1 1 311.342 -1.104 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001319847468 916452466 /nfs/dbraw/zinc/45/24/66/916452466.db2.gz KYBWFNJVVPUJBC-VIFPVBQESA-N 1 1 306.326 -1.333 20 0 DAADMO NC(=O)[C@H]1CN(CCCC[N@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC001319829675 916453100 /nfs/dbraw/zinc/45/31/00/916453100.db2.gz BLISOVFVKJFYPZ-VXGBXAGGSA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCCOCCO)CC1 ZINC001319944662 916456941 /nfs/dbraw/zinc/45/69/41/916456941.db2.gz BXJHDLJNCGWSGO-UHFFFAOYSA-N 1 1 316.402 -1.105 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001319934441 916458461 /nfs/dbraw/zinc/45/84/61/916458461.db2.gz CHJJPRBDUMHYSQ-GHMZBOCLSA-N 1 1 323.401 -1.081 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1ncn(C)n1 ZINC001319994348 916462086 /nfs/dbraw/zinc/46/20/86/916462086.db2.gz KGDRIZRXNNNSOW-UHFFFAOYSA-N 1 1 323.357 -1.629 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986754 916462193 /nfs/dbraw/zinc/46/21/93/916462193.db2.gz SYUNQMGFSFLHGG-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986754 916462209 /nfs/dbraw/zinc/46/22/09/916462209.db2.gz SYUNQMGFSFLHGG-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)C(N)=O ZINC001320009237 916463299 /nfs/dbraw/zinc/46/32/99/916463299.db2.gz GXQXNGMNCRSNLL-UHFFFAOYSA-N 1 1 301.347 -1.917 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)C(N)=O ZINC001320009237 916463307 /nfs/dbraw/zinc/46/33/07/916463307.db2.gz GXQXNGMNCRSNLL-UHFFFAOYSA-N 1 1 301.347 -1.917 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001320016643 916463938 /nfs/dbraw/zinc/46/39/38/916463938.db2.gz RZBYFECOOIBFSN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001320016643 916463952 /nfs/dbraw/zinc/46/39/52/916463952.db2.gz RZBYFECOOIBFSN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001320016641 916465446 /nfs/dbraw/zinc/46/54/46/916465446.db2.gz RZBYFECOOIBFSN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001320016641 916465456 /nfs/dbraw/zinc/46/54/56/916465456.db2.gz RZBYFECOOIBFSN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001320080024 916467640 /nfs/dbraw/zinc/46/76/40/916467640.db2.gz FIPFKFDDPYNANV-LLVKDONJSA-N 1 1 315.370 -1.467 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001320096272 916468645 /nfs/dbraw/zinc/46/86/45/916468645.db2.gz MZEFKUDWTMDJIE-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001320096272 916468653 /nfs/dbraw/zinc/46/86/53/916468653.db2.gz MZEFKUDWTMDJIE-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320183967 916469947 /nfs/dbraw/zinc/46/99/47/916469947.db2.gz CRWLYQIXMFEEDO-NSHDSACASA-N 1 1 306.326 -1.671 20 0 DAADMO NC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1noc2c1COCC2 ZINC001320201823 916473941 /nfs/dbraw/zinc/47/39/41/916473941.db2.gz MJOHYHXWIXUNBE-MRVPVSSYSA-N 1 1 312.326 -1.811 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001320214114 916477665 /nfs/dbraw/zinc/47/76/65/916477665.db2.gz BISOUIVVJYSKOZ-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CCc2ccnn2C)n[nH]1 ZINC001320218493 916480202 /nfs/dbraw/zinc/48/02/02/916480202.db2.gz STUMXGYFLOMLRR-GFCCVEGCSA-N 1 1 321.385 -1.301 20 0 DAADMO CC[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CCNC1=O ZINC001320232781 916483239 /nfs/dbraw/zinc/48/32/39/916483239.db2.gz CWQAJFKBLDGUKC-MFKMUULPSA-N 1 1 311.342 -1.447 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cnc2nccn2c1 ZINC001320250865 916487938 /nfs/dbraw/zinc/48/79/38/916487938.db2.gz VJOSEOYUBUIZJQ-NSHDSACASA-N 1 1 317.309 -1.007 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)c1ccc2nnnn2c1 ZINC001320244395 916488180 /nfs/dbraw/zinc/48/81/80/916488180.db2.gz HQRQAKZEIXGGGZ-LLVKDONJSA-N 1 1 317.309 -1.007 20 0 DAADMO C[C@@H](O)CCC[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001320271089 916490309 /nfs/dbraw/zinc/49/03/09/916490309.db2.gz QVHGZGVBWFXTSY-ZJUUUORDSA-N 1 1 300.359 -1.033 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001320275011 916495714 /nfs/dbraw/zinc/49/57/14/916495714.db2.gz SAFVIKLZVGXMGH-QMTHXVAHSA-N 1 1 324.385 -1.609 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001320286345 916497523 /nfs/dbraw/zinc/49/75/23/916497523.db2.gz JSZCWAOBFXXZRQ-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)C(=O)NCC1CC1 ZINC001320291855 916498432 /nfs/dbraw/zinc/49/84/32/916498432.db2.gz FRIKHWMZEPQVLJ-SECBINFHSA-N 1 1 313.383 -1.369 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)nn1 ZINC001320316529 916504996 /nfs/dbraw/zinc/50/49/96/916504996.db2.gz JQVMWSSMIBAYOJ-PSASIEDQSA-N 1 1 324.341 -2.565 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCC(=O)N1 ZINC001320766467 916528544 /nfs/dbraw/zinc/52/85/44/916528544.db2.gz HCZUIPIHZUPVIH-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC(=O)N1C ZINC001320818541 916530566 /nfs/dbraw/zinc/53/05/66/916530566.db2.gz FEOMIXDFWZEVOR-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CN1C(=O)CNC1=O ZINC001320819134 916531941 /nfs/dbraw/zinc/53/19/41/916531941.db2.gz ONDSHRWGAPMPEF-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO CC(=O)N1CC(C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001321040530 916540219 /nfs/dbraw/zinc/54/02/19/916540219.db2.gz DZULSVPNDWRADK-ONEGZZNKSA-N 1 1 322.369 -1.651 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)CN2CCOCC2)nc1=O ZINC001321028655 916541727 /nfs/dbraw/zinc/54/17/27/916541727.db2.gz FKRHJSBYAKIYTP-IHWYPQMZSA-N 1 1 324.385 -1.797 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001321184523 916551879 /nfs/dbraw/zinc/55/18/79/916551879.db2.gz GKQYMYFCVGQOPO-FSIBCCDJSA-N 1 1 307.358 -1.399 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)C(N)=O)o1 ZINC001321222856 916555540 /nfs/dbraw/zinc/55/55/40/916555540.db2.gz MLEQQSWERROOOD-IHWYPQMZSA-N 1 1 315.351 -1.070 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+]C/C=C/CNC(=O)C(N)=O)o1 ZINC001321222858 916556302 /nfs/dbraw/zinc/55/63/02/916556302.db2.gz MLEQQSWERROOOD-NSCUHMNNSA-N 1 1 315.351 -1.070 20 0 DAADMO CCn1cc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001321219225 916556546 /nfs/dbraw/zinc/55/65/46/916556546.db2.gz DTTYQWGUDGLJAW-PGLGOXFNSA-N 1 1 307.358 -1.259 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)CCOCCO)CC1 ZINC001321213994 916556796 /nfs/dbraw/zinc/55/67/96/916556796.db2.gz ZFTMNKVCBXYFBR-UHFFFAOYSA-N 1 1 316.402 -1.153 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001321337368 916565824 /nfs/dbraw/zinc/56/58/24/916565824.db2.gz AAJZQZLJWMHMIO-JTQLQIEISA-N 1 1 318.399 -1.071 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001321337369 916566058 /nfs/dbraw/zinc/56/60/58/916566058.db2.gz AAJZQZLJWMHMIO-SNVBAGLBSA-N 1 1 318.399 -1.071 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC001321386531 916571075 /nfs/dbraw/zinc/57/10/75/916571075.db2.gz RBHGCDADUUYUCY-CQSZACIVSA-N 1 1 317.386 -1.709 20 0 DAADMO CCON(C)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001321546507 916579260 /nfs/dbraw/zinc/57/92/60/916579260.db2.gz UHJKJUYDRZJAGY-UHFFFAOYSA-N 1 1 300.359 -1.277 20 0 DAADMO COC[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)OC ZINC001321529066 916579558 /nfs/dbraw/zinc/57/95/58/916579558.db2.gz WBKFOOMWGVETPO-LBPRGKRZSA-N 1 1 317.386 -1.398 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001321533291 916580462 /nfs/dbraw/zinc/58/04/62/916580462.db2.gz VAESEZZMUFUVRG-NXEZZACHSA-N 1 1 322.369 -1.053 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCNC1=O ZINC001321594998 916583830 /nfs/dbraw/zinc/58/38/30/916583830.db2.gz VBWQNHNISQJOQO-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1n[nH]cc1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001321659665 916586012 /nfs/dbraw/zinc/58/60/12/916586012.db2.gz ZAAGCCVNRBNIMZ-GFCCVEGCSA-N 1 1 308.386 -1.304 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001321631341 916587266 /nfs/dbraw/zinc/58/72/66/916587266.db2.gz UBPWEFOTCIDPPM-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001321675898 916590752 /nfs/dbraw/zinc/59/07/52/916590752.db2.gz CBZKBWHCRFNILB-UHFFFAOYSA-N 1 1 316.427 -1.206 20 0 DAADMO C[C@H](C(=O)NCCCN1C(=O)CNC1=O)N1CC[NH+](C)CC1 ZINC001321768155 916594897 /nfs/dbraw/zinc/59/48/97/916594897.db2.gz IOTFYNMFXUBFFJ-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)CCO)CN1CC[NH+](C)CC1 ZINC001321889344 916605281 /nfs/dbraw/zinc/60/52/81/916605281.db2.gz WAWZYFBTYGHEHK-LBPRGKRZSA-N 1 1 300.403 -1.563 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001321891898 916605895 /nfs/dbraw/zinc/60/58/95/916605895.db2.gz BKFQSOAWAFQRKP-MNOVXSKESA-N 1 1 315.370 -1.109 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001321891898 916605905 /nfs/dbraw/zinc/60/59/05/916605905.db2.gz BKFQSOAWAFQRKP-MNOVXSKESA-N 1 1 315.370 -1.109 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001321889034 916606602 /nfs/dbraw/zinc/60/66/02/916606602.db2.gz NIORBECJUXIMIY-RTXFEEFZSA-N 1 1 309.366 -1.035 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)CCO)CN1CC[NH+](C)CC1 ZINC001321889343 916606799 /nfs/dbraw/zinc/60/67/99/916606799.db2.gz WAWZYFBTYGHEHK-GFCCVEGCSA-N 1 1 300.403 -1.563 20 0 DAADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001321943214 916609839 /nfs/dbraw/zinc/60/98/39/916609839.db2.gz HHDNYQCQUODBHZ-VIFPVBQESA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CCc1c[nH]nn1 ZINC001321992019 916612124 /nfs/dbraw/zinc/61/21/24/916612124.db2.gz RWQAKHGUPKCXMO-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CCc1cnn[nH]1 ZINC001321992019 916612130 /nfs/dbraw/zinc/61/21/30/916612130.db2.gz RWQAKHGUPKCXMO-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1nnc2n1CCC2 ZINC001321962826 916612830 /nfs/dbraw/zinc/61/28/30/916612830.db2.gz FRTPJTDTOIVONL-UHFFFAOYSA-N 1 1 324.385 -1.465 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001321984299 916612942 /nfs/dbraw/zinc/61/29/42/916612942.db2.gz LMVUEUYSJHPYBF-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](O)C1 ZINC001321988791 916613083 /nfs/dbraw/zinc/61/30/83/916613083.db2.gz QTEMZBQCZPDFTA-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCNC1=O ZINC001322043061 916615406 /nfs/dbraw/zinc/61/54/06/916615406.db2.gz BPUQEFRXDSYUAC-QJPTWQEYSA-N 1 1 324.381 -1.687 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCNC1=O ZINC001322043057 916616061 /nfs/dbraw/zinc/61/60/61/916616061.db2.gz BPUQEFRXDSYUAC-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001322099431 916618580 /nfs/dbraw/zinc/61/85/80/916618580.db2.gz OHTJDMMGTASEQF-YUMQZZPRSA-N 1 1 309.330 -2.143 20 0 DAADMO COCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322101517 916618898 /nfs/dbraw/zinc/61/88/98/916618898.db2.gz BBSQWWGGUAQTIC-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](C[N@H+](C)CCOCCO)NC(=O)C1CS(=O)(=O)C1 ZINC001322159988 916622400 /nfs/dbraw/zinc/62/24/00/916622400.db2.gz IWJBUGOZKBZMKO-JTQLQIEISA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@@H](C[N@@H+](C)CCOCCO)NC(=O)C1CS(=O)(=O)C1 ZINC001322159988 916622407 /nfs/dbraw/zinc/62/24/07/916622407.db2.gz IWJBUGOZKBZMKO-JTQLQIEISA-N 1 1 308.400 -1.524 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001322170199 916622482 /nfs/dbraw/zinc/62/24/82/916622482.db2.gz VUXPFEQPSRVORH-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001322217993 916625515 /nfs/dbraw/zinc/62/55/15/916625515.db2.gz IZDSXLPJRPQJJK-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001322217993 916625522 /nfs/dbraw/zinc/62/55/22/916625522.db2.gz IZDSXLPJRPQJJK-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC001322220264 916626356 /nfs/dbraw/zinc/62/63/56/916626356.db2.gz REVBJEAIZNVLAX-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001322238402 916627168 /nfs/dbraw/zinc/62/71/68/916627168.db2.gz UMOUCOSSBLDQEW-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001322238409 916627441 /nfs/dbraw/zinc/62/74/41/916627441.db2.gz UMOUCOSSBLDQEW-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)CN1C(=O)CCC1=O ZINC001322292089 916629837 /nfs/dbraw/zinc/62/98/37/916629837.db2.gz DRWZNXCYMOBQRF-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)CN1C(=O)CCC1=O ZINC001322292089 916629848 /nfs/dbraw/zinc/62/98/48/916629848.db2.gz DRWZNXCYMOBQRF-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001322488029 916636007 /nfs/dbraw/zinc/63/60/07/916636007.db2.gz MHPVSXKKPXPBLC-ZYHUDNBSSA-N 1 1 321.381 -1.425 20 0 DAADMO CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)Cc1ccn[nH]1 ZINC001322452723 916637029 /nfs/dbraw/zinc/63/70/29/916637029.db2.gz SBGJNBYQSHQJQW-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO Nc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc[nH+]1 ZINC001322496174 916639813 /nfs/dbraw/zinc/63/98/13/916639813.db2.gz NLOPGRHCWXINLO-UHFFFAOYSA-N 1 1 320.353 -1.434 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](COC)OC)C1 ZINC001322552384 916642240 /nfs/dbraw/zinc/64/22/40/916642240.db2.gz ZUZVCDKSTPZLBQ-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](COC)OC)C1 ZINC001322552385 916643042 /nfs/dbraw/zinc/64/30/42/916643042.db2.gz ZUZVCDKSTPZLBQ-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCC(=O)N1CCCC1 ZINC001322584820 916645621 /nfs/dbraw/zinc/64/56/21/916645621.db2.gz IEXMIBHYRJTERR-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCNC(=O)CC1 ZINC001322692129 916656858 /nfs/dbraw/zinc/65/68/58/916656858.db2.gz BEMPDRFZYLMNLB-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 ZINC001322692038 916657322 /nfs/dbraw/zinc/65/73/22/916657322.db2.gz ADTMIEIODGNGMS-LLVKDONJSA-N 1 1 321.385 -2.018 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC001322745192 916662726 /nfs/dbraw/zinc/66/27/26/916662726.db2.gz YCIOORHFLRISNM-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCOC1 ZINC001322749005 916663357 /nfs/dbraw/zinc/66/33/57/916663357.db2.gz FJCKRTFDMDNHEW-WFASDCNBSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cc(CCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC001322803916 916668955 /nfs/dbraw/zinc/66/89/55/916668955.db2.gz JYRLBAPNFYKAMV-ZDUSSCGKSA-N 1 1 322.413 -1.559 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCn2cnnc2C1 ZINC001322834865 916671413 /nfs/dbraw/zinc/67/14/13/916671413.db2.gz BNXVCITYWRKRMS-UHFFFAOYSA-N 1 1 322.369 -1.541 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001322843482 916673437 /nfs/dbraw/zinc/67/34/37/916673437.db2.gz XICNSLNRGOPEMR-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322880256 916676309 /nfs/dbraw/zinc/67/63/09/916676309.db2.gz PMAJWCQMECOVNL-FIKIJFGZSA-N 1 1 318.443 -1.767 20 0 DAADMO Cc1c(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cnn1C ZINC001322898032 916676416 /nfs/dbraw/zinc/67/64/16/916676416.db2.gz HEMNHAHHOCLTFX-ZDUSSCGKSA-N 1 1 322.413 -1.293 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[nH]n1 ZINC001322907686 916676773 /nfs/dbraw/zinc/67/67/73/916676773.db2.gz MJXTXVRRONPGGT-LBPRGKRZSA-N 1 1 308.386 -1.304 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001322907686 916676785 /nfs/dbraw/zinc/67/67/85/916676785.db2.gz MJXTXVRRONPGGT-LBPRGKRZSA-N 1 1 308.386 -1.304 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001322907686 916676800 /nfs/dbraw/zinc/67/68/00/916676800.db2.gz MJXTXVRRONPGGT-LBPRGKRZSA-N 1 1 308.386 -1.304 20 0 DAADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[N@@H+](C)C1CC1 ZINC001322973472 916681887 /nfs/dbraw/zinc/68/18/87/916681887.db2.gz BEUHHYBRZWPXGM-VIFPVBQESA-N 1 1 322.369 -1.094 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001322942256 916682899 /nfs/dbraw/zinc/68/28/99/916682899.db2.gz UDVJFXJEKJQWSA-WCBMZHEXSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323004562 916684258 /nfs/dbraw/zinc/68/42/58/916684258.db2.gz ISZKBSQRCLVUQW-NXEZZACHSA-N 1 1 309.374 -1.375 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001322982587 916685899 /nfs/dbraw/zinc/68/58/99/916685899.db2.gz YRUXWQGSOFOJMY-WDNDVIMCSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCN2C(=O)CNC2=O)C1 ZINC001323033637 916688702 /nfs/dbraw/zinc/68/87/02/916688702.db2.gz HQGRLCQAQIJJGF-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nccn1C)[C@H]1C[N@H+](C)CCO1 ZINC001323173584 916694445 /nfs/dbraw/zinc/69/44/45/916694445.db2.gz BLISBCZFIIPXOF-WDEREUQCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC001323173584 916694454 /nfs/dbraw/zinc/69/44/54/916694454.db2.gz BLISBCZFIIPXOF-WDEREUQCSA-N 1 1 309.370 -1.128 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H]1CNC(=O)c1cnnn1C ZINC001323232758 916701134 /nfs/dbraw/zinc/70/11/34/916701134.db2.gz RIZPKAZTAYARMD-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnnn1C ZINC001323232758 916701146 /nfs/dbraw/zinc/70/11/46/916701146.db2.gz RIZPKAZTAYARMD-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001323229916 916701567 /nfs/dbraw/zinc/70/15/67/916701567.db2.gz FYBNBXJQRFBYQM-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001323229916 916701582 /nfs/dbraw/zinc/70/15/82/916701582.db2.gz FYBNBXJQRFBYQM-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001323243508 916704755 /nfs/dbraw/zinc/70/47/55/916704755.db2.gz LJZNRFNHWWJMNV-WDNDVIMCSA-N 1 1 324.425 -1.109 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)c1=O ZINC001323258916 916705338 /nfs/dbraw/zinc/70/53/38/916705338.db2.gz BPFSOHPEDDDHSG-NSHDSACASA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]2CCOCCO)c1=O ZINC001323258916 916705356 /nfs/dbraw/zinc/70/53/56/916705356.db2.gz BPFSOHPEDDDHSG-NSHDSACASA-N 1 1 313.358 -2.219 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ncn(C)n2)C1 ZINC001323245578 916705948 /nfs/dbraw/zinc/70/59/48/916705948.db2.gz GOCXCVJSRYHAOY-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323299084 916710683 /nfs/dbraw/zinc/71/06/83/916710683.db2.gz SAXRRISQJNWZKH-OLZOCXBDSA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323299086 916711104 /nfs/dbraw/zinc/71/11/04/916711104.db2.gz SAXRRISQJNWZKH-QWHCGFSZSA-N 1 1 322.413 -1.250 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001323298318 916711249 /nfs/dbraw/zinc/71/12/49/916711249.db2.gz OQOIYCBJSQABKB-UHFFFAOYSA-N 1 1 316.427 -1.254 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001323349873 916714062 /nfs/dbraw/zinc/71/40/62/916714062.db2.gz BOAGGXCJHVHWHK-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001323349873 916714078 /nfs/dbraw/zinc/71/40/78/916714078.db2.gz BOAGGXCJHVHWHK-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)c[nH]1 ZINC001323354454 916715380 /nfs/dbraw/zinc/71/53/80/916715380.db2.gz AUQZJFKGFCNKAI-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2CCOCCO)c[nH]1 ZINC001323354454 916715397 /nfs/dbraw/zinc/71/53/97/916715397.db2.gz AUQZJFKGFCNKAI-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC001323355408 916716356 /nfs/dbraw/zinc/71/63/56/916716356.db2.gz OALLCKRJRWNSRC-YPMHNXCESA-N 1 1 322.413 -1.041 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCOC1 ZINC001323387238 916717377 /nfs/dbraw/zinc/71/73/77/916717377.db2.gz HQAZNBCWZFFBIL-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323422397 916720812 /nfs/dbraw/zinc/72/08/12/916720812.db2.gz XEPSDERPQVNVQR-CHWSQXEVSA-N 1 1 312.414 -1.422 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1COCCO1 ZINC001323390696 916720981 /nfs/dbraw/zinc/72/09/81/916720981.db2.gz IWAMIIIIVGGYRJ-NEPJUHHUSA-N 1 1 314.386 -2.120 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001323424418 916721386 /nfs/dbraw/zinc/72/13/86/916721386.db2.gz IJKXBFKONFVFGQ-VHSXEESVSA-N 1 1 305.400 -1.254 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCO1 ZINC001323390706 916722277 /nfs/dbraw/zinc/72/22/77/916722277.db2.gz IWAMIIIIVGGYRJ-RYUDHWBXSA-N 1 1 314.386 -2.120 20 0 DAADMO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001323487282 916727739 /nfs/dbraw/zinc/72/77/39/916727739.db2.gz RQYUEUPQTMKFMZ-WIUDPPPLSA-N 1 1 319.427 -1.292 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001323596424 916735664 /nfs/dbraw/zinc/73/56/64/916735664.db2.gz CYUNKGGQHTUZRE-JLLWLGSASA-N 1 1 308.382 -1.068 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001323710237 916744805 /nfs/dbraw/zinc/74/48/05/916744805.db2.gz CYXYNASIDZCAPO-MQYQWHSLSA-N 1 1 323.393 -1.072 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1nnnn1C1CC1 ZINC001323995829 916762524 /nfs/dbraw/zinc/76/25/24/916762524.db2.gz VRUDZSOFAWNKEE-UHFFFAOYSA-N 1 1 318.341 -1.054 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001324259682 916772426 /nfs/dbraw/zinc/77/24/26/916772426.db2.gz AVPCCZZAOXEBMC-CKYFFXLPSA-N 1 1 323.397 -1.146 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ncn(C)n2)C1 ZINC001324442568 916781160 /nfs/dbraw/zinc/78/11/60/916781160.db2.gz MDGFYDSBWSUYKG-WDEREUQCSA-N 1 1 324.385 -1.171 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001324561814 916788425 /nfs/dbraw/zinc/78/84/25/916788425.db2.gz XZSKWQXEQMEGGH-NWDGAFQWSA-N 1 1 314.386 -2.303 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001324578620 916789212 /nfs/dbraw/zinc/78/92/12/916789212.db2.gz SRUHDPAXLRYEQQ-YWPYICTPSA-N 1 1 310.398 -1.811 20 0 DAADMO CN(CC[N@@H+]1CC[C@](C)(NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001324648133 916794437 /nfs/dbraw/zinc/79/44/37/916794437.db2.gz SYUKIWDRHZMJLP-NSHDSACASA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC[N@H+]1CC[C@](C)(NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001324648133 916794446 /nfs/dbraw/zinc/79/44/46/916794446.db2.gz SYUKIWDRHZMJLP-NSHDSACASA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cccnn1)[C@H]1C[N@H+](C)CCO1 ZINC001324693982 916795271 /nfs/dbraw/zinc/79/52/71/916795271.db2.gz LCEBNPARJMQUIP-CMPLNLGQSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC001324693982 916795285 /nfs/dbraw/zinc/79/52/85/916795285.db2.gz LCEBNPARJMQUIP-CMPLNLGQSA-N 1 1 307.354 -1.072 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001324746165 916796724 /nfs/dbraw/zinc/79/67/24/916796724.db2.gz NQEKJCKEFAQJRI-NEPJUHHUSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001324746168 916797440 /nfs/dbraw/zinc/79/74/40/916797440.db2.gz NQEKJCKEFAQJRI-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001324845052 916798158 /nfs/dbraw/zinc/79/81/58/916798158.db2.gz HTISAUAMYMTCDW-RKDXNWHRSA-N 1 1 311.346 -2.338 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001324845052 916798177 /nfs/dbraw/zinc/79/81/77/916798177.db2.gz HTISAUAMYMTCDW-RKDXNWHRSA-N 1 1 311.346 -2.338 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001324847477 916801181 /nfs/dbraw/zinc/80/11/81/916801181.db2.gz WSLUEIHPQZMHMS-UHFFFAOYSA-N 1 1 309.374 -1.231 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001324999010 916803558 /nfs/dbraw/zinc/80/35/58/916803558.db2.gz FRUHDSMSDKWJFD-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325081874 916811647 /nfs/dbraw/zinc/81/16/47/916811647.db2.gz HNKBYGLKOYDHGY-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070921 916811984 /nfs/dbraw/zinc/81/19/84/916811984.db2.gz STKMYMUTYWRPCB-IINYFYTJSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070921 916812001 /nfs/dbraw/zinc/81/20/01/916812001.db2.gz STKMYMUTYWRPCB-IINYFYTJSA-N 1 1 322.321 -1.354 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001325102514 916814581 /nfs/dbraw/zinc/81/45/81/916814581.db2.gz POZFFPFGNKDVIO-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001325125769 916816090 /nfs/dbraw/zinc/81/60/90/916816090.db2.gz IRLBVYCOMHVKOS-TVQRCGJNSA-N 1 1 300.359 -1.931 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001325116123 916816151 /nfs/dbraw/zinc/81/61/51/916816151.db2.gz ZOLRUIMSRXKMEI-NHYWBVRUSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001325116123 916816164 /nfs/dbraw/zinc/81/61/64/916816164.db2.gz ZOLRUIMSRXKMEI-NHYWBVRUSA-N 1 1 324.381 -2.092 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001325125710 916818180 /nfs/dbraw/zinc/81/81/80/916818180.db2.gz HRFRSQRFXNHVPP-WFASDCNBSA-N 1 1 313.398 -1.034 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001325125709 916819549 /nfs/dbraw/zinc/81/95/49/916819549.db2.gz HRFRSQRFXNHVPP-SWLSCSKDSA-N 1 1 313.398 -1.034 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001325128487 916822331 /nfs/dbraw/zinc/82/23/31/916822331.db2.gz ZVQDICVMQCEJAR-LBPRGKRZSA-N 1 1 315.761 -1.425 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001325207751 916830273 /nfs/dbraw/zinc/83/02/73/916830273.db2.gz AVMRWMXBGJUYQP-UHFFFAOYSA-N 1 1 322.431 -1.500 20 0 DAADMO COCCOCCN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325246903 916833922 /nfs/dbraw/zinc/83/39/22/916833922.db2.gz QHFNOEJISJKQER-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CCOCCO)C2)C1 ZINC001325273549 916838223 /nfs/dbraw/zinc/83/82/23/916838223.db2.gz KVFICYQNXTXISE-ZDUSSCGKSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@H](Cn1cccn1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001325302009 916839714 /nfs/dbraw/zinc/83/97/14/916839714.db2.gz ZZISPUMOYIUOIU-OLZOCXBDSA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001325301992 916840268 /nfs/dbraw/zinc/84/02/68/916840268.db2.gz ZJYHCPMSSFQEQH-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001325301992 916840280 /nfs/dbraw/zinc/84/02/80/916840280.db2.gz ZJYHCPMSSFQEQH-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](Cn1cccn1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001325302011 916840713 /nfs/dbraw/zinc/84/07/13/916840713.db2.gz ZZISPUMOYIUOIU-STQMWFEESA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001325516518 916848934 /nfs/dbraw/zinc/84/89/34/916848934.db2.gz OUEYQGSBLMGVFR-MNOVXSKESA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001325516518 916848950 /nfs/dbraw/zinc/84/89/50/916848950.db2.gz OUEYQGSBLMGVFR-MNOVXSKESA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001325516519 916849313 /nfs/dbraw/zinc/84/93/13/916849313.db2.gz OUEYQGSBLMGVFR-QWRGUYRKSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001325516519 916849334 /nfs/dbraw/zinc/84/93/34/916849334.db2.gz OUEYQGSBLMGVFR-QWRGUYRKSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001325502370 916849604 /nfs/dbraw/zinc/84/96/04/916849604.db2.gz YCIPJYKOOHXHQY-JLLWLGSASA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@H]1C[N@H+](C)CCO1 ZINC001325516517 916850377 /nfs/dbraw/zinc/85/03/77/916850377.db2.gz OUEYQGSBLMGVFR-GHMZBOCLSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2cnnc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001325516517 916850387 /nfs/dbraw/zinc/85/03/87/916850387.db2.gz OUEYQGSBLMGVFR-GHMZBOCLSA-N 1 1 322.369 -1.544 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001325652585 916855502 /nfs/dbraw/zinc/85/55/02/916855502.db2.gz POWLCSOAGLBYNR-CMPLNLGQSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C1 ZINC001325754908 916861441 /nfs/dbraw/zinc/86/14/41/916861441.db2.gz WDAPMRHWUFSMHP-XHNCKOQMSA-N 1 1 318.324 -1.368 20 0 DAADMO COCCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325761221 916861602 /nfs/dbraw/zinc/86/16/02/916861602.db2.gz IFSSNCWTSSPBEP-PHIMTYICSA-N 1 1 312.370 -1.985 20 0 DAADMO Cn1cnnc1C[NH2+]C1CCN(CCNC(=O)CC(N)=O)CC1 ZINC001325783574 916863434 /nfs/dbraw/zinc/86/34/34/916863434.db2.gz BSLVKTTZKWQXHC-UHFFFAOYSA-N 1 1 323.401 -1.639 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839506 916867509 /nfs/dbraw/zinc/86/75/09/916867509.db2.gz XSUZFSWRZKKLME-HZMBPMFUSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839506 916867521 /nfs/dbraw/zinc/86/75/21/916867521.db2.gz XSUZFSWRZKKLME-HZMBPMFUSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCNC(=O)CC3)[C@@H]2C1 ZINC001325925480 916873214 /nfs/dbraw/zinc/87/32/14/916873214.db2.gz CCOBXWOMSVZAAV-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(c1ccn[nH]1)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001325983640 916876503 /nfs/dbraw/zinc/87/65/03/916876503.db2.gz IFGFRUHJQBIZBL-UHFFFAOYSA-N 1 1 310.358 -1.541 20 0 DAADMO Cn1nnnc1CNCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001325989387 916881669 /nfs/dbraw/zinc/88/16/69/916881669.db2.gz MCNQXCIIGDBNFI-LLVKDONJSA-N 1 1 311.390 -1.785 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2cn(C)nn2)nn1 ZINC001326020516 916884014 /nfs/dbraw/zinc/88/40/14/916884014.db2.gz CPVNDJXQEJUTBK-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001326042516 916886923 /nfs/dbraw/zinc/88/69/23/916886923.db2.gz TZJRCBDVJDNXCL-NSHDSACASA-N 1 1 324.385 -1.748 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(CCO)CC[NH2+]Cc1cn(C)nn1 ZINC001326041260 916887226 /nfs/dbraw/zinc/88/72/26/916887226.db2.gz FJTLZGHNXBTXOL-UHFFFAOYSA-N 1 1 323.357 -1.223 20 0 DAADMO O=C(c1cn[nH]n1)N(CCO)CC[NH2+]Cc1nnnn1C1CC1 ZINC001326053263 916888889 /nfs/dbraw/zinc/88/88/89/916888889.db2.gz SBSUBWLXOVFUOB-UHFFFAOYSA-N 1 1 321.345 -1.650 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@H]2C(N)=O)nn1 ZINC001326070724 916891321 /nfs/dbraw/zinc/89/13/21/916891321.db2.gz RXDPOBWVHJERQM-NEPJUHHUSA-N 1 1 324.385 -1.763 20 0 DAADMO CCn1ncc(C[NH2+]CCN(CCO)C(=O)c2n[nH]nc2C)n1 ZINC001326069667 916892417 /nfs/dbraw/zinc/89/24/17/916892417.db2.gz FSXHXDUBJMYKHH-UHFFFAOYSA-N 1 1 322.373 -1.051 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)nc1 ZINC001326070480 916892672 /nfs/dbraw/zinc/89/26/72/916892672.db2.gz OLCOLIZLYQLMEL-GFCCVEGCSA-N 1 1 321.381 -1.168 20 0 DAADMO NC(=O)C(=O)N(CCO)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC001326086476 916894181 /nfs/dbraw/zinc/89/41/81/916894181.db2.gz SZUGVDRQKUJNLA-UHFFFAOYSA-N 1 1 309.370 -1.385 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@]2(C)CCNC2=O)n1 ZINC001326091314 916894492 /nfs/dbraw/zinc/89/44/92/916894492.db2.gz KVJZWUJMXKFMBQ-HNNXBMFYSA-N 1 1 323.397 -1.143 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)Cc2ncc[nH]2)[nH]1 ZINC001326119412 916897844 /nfs/dbraw/zinc/89/78/44/916897844.db2.gz OHPITNNXNXQGHQ-UHFFFAOYSA-N 1 1 307.358 -1.011 20 0 DAADMO C[C@@H](CNC(=O)C(=O)Nc1ncn(C)n1)C[NH+]1CCOCC1 ZINC001326274296 916912494 /nfs/dbraw/zinc/91/24/94/916912494.db2.gz JIDJALOTEKJGLG-JTQLQIEISA-N 1 1 310.358 -1.162 20 0 DAADMO C[C@@]1(CCCC(=O)N2CC[NH+](CCO)CC2)NC(=O)NC1=O ZINC001326425671 916920316 /nfs/dbraw/zinc/92/03/16/916920316.db2.gz GQUJJXFDNYFUBX-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO COCCOCC[NH+]1CCN(CC(=O)N2CCNC2=O)CC1 ZINC001326446626 916921513 /nfs/dbraw/zinc/92/15/13/916921513.db2.gz NVJYFHBLZARWRC-UHFFFAOYSA-N 1 1 314.386 -1.181 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC001326457875 916922830 /nfs/dbraw/zinc/92/28/30/916922830.db2.gz NXRJTWZPEXNBIW-SNVBAGLBSA-N 1 1 307.358 -1.573 20 0 DAADMO COc1cncc(NC(=O)C(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC001326470382 916923835 /nfs/dbraw/zinc/92/38/35/916923835.db2.gz HGOUUOBFEAENAY-UHFFFAOYSA-N 1 1 323.353 -1.003 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001326554548 916930292 /nfs/dbraw/zinc/93/02/92/916930292.db2.gz CEFVSEQWZLQBGX-GARJFASQSA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001326554548 916930304 /nfs/dbraw/zinc/93/03/04/916930304.db2.gz CEFVSEQWZLQBGX-GARJFASQSA-N 1 1 301.343 -1.365 20 0 DAADMO CCOC[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001326598371 916934181 /nfs/dbraw/zinc/93/41/81/916934181.db2.gz YKJJARNFIIKHES-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326732862 916952317 /nfs/dbraw/zinc/95/23/17/916952317.db2.gz PUKZPPWKTUVPJY-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326732860 916952512 /nfs/dbraw/zinc/95/25/12/916952512.db2.gz PUKZPPWKTUVPJY-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO COCCCS(=O)(=O)NCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC001326770596 916953983 /nfs/dbraw/zinc/95/39/83/916953983.db2.gz ZOJUAGCUZXHHAF-NSHDSACASA-N 1 1 309.388 -1.824 20 0 DAADMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nnn(C)n2)CC[N@H+]1C ZINC001326787848 916954261 /nfs/dbraw/zinc/95/42/61/916954261.db2.gz BRIPQDIZAYZRRA-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2nnn(C)n2)CC[N@H+]1C ZINC001326787850 916955892 /nfs/dbraw/zinc/95/58/92/916955892.db2.gz BRIPQDIZAYZRRA-ZJUUUORDSA-N 1 1 309.374 -1.233 20 0 DAADMO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326844128 916960227 /nfs/dbraw/zinc/96/02/27/916960227.db2.gz FLPMLWOSJWHGRI-FRRDWIJNSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2C[C@]2(CO)C1 ZINC001326820157 916961146 /nfs/dbraw/zinc/96/11/46/916961146.db2.gz BQETXEXDOCFMQH-UUIJZJDISA-N 1 1 309.366 -1.895 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1O ZINC001326825536 916961801 /nfs/dbraw/zinc/96/18/01/916961801.db2.gz ZYMDUPBMSALSOQ-WUHRBBMRSA-N 1 1 311.382 -1.507 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1O ZINC001326825538 916962096 /nfs/dbraw/zinc/96/20/96/916962096.db2.gz ZYMDUPBMSALSOQ-YVECIDJPSA-N 1 1 311.382 -1.507 20 0 DAADMO C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326899615 916966691 /nfs/dbraw/zinc/96/66/91/916966691.db2.gz GYMRFOGYPZLUOE-SDDRHHMPSA-N 1 1 322.369 -1.940 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)OC ZINC001326887704 916967055 /nfs/dbraw/zinc/96/70/55/916967055.db2.gz FZHDRWUOIAWQSX-TUAOUCFPSA-N 1 1 315.370 -1.959 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326910413 916967267 /nfs/dbraw/zinc/96/72/67/916967267.db2.gz VUADTWDJAFVGLR-AUKWLOTRSA-N 1 1 303.384 -2.242 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326910413 916967282 /nfs/dbraw/zinc/96/72/82/916967282.db2.gz VUADTWDJAFVGLR-AUKWLOTRSA-N 1 1 303.384 -2.242 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001326909371 916969111 /nfs/dbraw/zinc/96/91/11/916969111.db2.gz OTWACIWRWKBZJS-MROQNXINSA-N 1 1 311.382 -1.053 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC001327008443 916980457 /nfs/dbraw/zinc/98/04/57/916980457.db2.gz GWKILZREJPFPBD-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001327048362 916986611 /nfs/dbraw/zinc/98/66/11/916986611.db2.gz IUUACEGQEZSMBW-LBPRGKRZSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001327048360 916987009 /nfs/dbraw/zinc/98/70/09/916987009.db2.gz IUUACEGQEZSMBW-GFCCVEGCSA-N 1 1 323.353 -1.087 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001327175666 916993444 /nfs/dbraw/zinc/99/34/44/916993444.db2.gz CCIDVDOFXTWVDE-SNVBAGLBSA-N 1 1 323.357 -1.741 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001327363333 917006953 /nfs/dbraw/zinc/00/69/53/917006953.db2.gz FMRUKLGZTZTUAB-ZJUUUORDSA-N 1 1 301.343 -2.171 20 0 DAADMO COCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncnn1)CO2 ZINC001327386105 917010069 /nfs/dbraw/zinc/01/00/69/917010069.db2.gz FYQAYRJIVOOWNS-NSHDSACASA-N 1 1 310.358 -1.331 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])S(C)(=O)=O ZINC001327485199 917018021 /nfs/dbraw/zinc/01/80/21/917018021.db2.gz JNNFNLLEGKJWTD-LURJTMIESA-N 1 1 301.315 -1.754 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001327572195 917027913 /nfs/dbraw/zinc/02/79/13/917027913.db2.gz VEANWUWGAUTNRP-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO COc1nccc(C[NH2+][C@@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 ZINC001327593694 917030362 /nfs/dbraw/zinc/03/03/62/917030362.db2.gz ZEFOJVZPTMZMTO-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001327623175 917031597 /nfs/dbraw/zinc/03/15/97/917031597.db2.gz YIGZSZRYTAAMQT-SWLSCSKDSA-N 1 1 313.398 -1.088 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N(C)C)C1 ZINC001327658442 917034782 /nfs/dbraw/zinc/03/47/82/917034782.db2.gz QLWLOZHEMONTFF-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001327663281 917034899 /nfs/dbraw/zinc/03/48/99/917034899.db2.gz VAQAMIGOBCQLTE-AAEUAGOBSA-N 1 1 313.398 -1.117 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)c1cnn(C[C@H](O)CO)c1 ZINC001327717705 917036788 /nfs/dbraw/zinc/03/67/88/917036788.db2.gz AIAHPCOCPMOFDH-ZDUSSCGKSA-N 1 1 312.370 -1.312 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001327741501 917038932 /nfs/dbraw/zinc/03/89/32/917038932.db2.gz KDUNHALNYKKFNW-DTWKUNHWSA-N 1 1 309.330 -2.896 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCCS(C)(=O)=O)C1CC1 ZINC001327743460 917039718 /nfs/dbraw/zinc/03/97/18/917039718.db2.gz XRCOPUDUMOJSES-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO Cc1noc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001327784851 917042413 /nfs/dbraw/zinc/04/24/13/917042413.db2.gz RKNBSWJALXCTKW-QWRGUYRKSA-N 1 1 323.353 -1.026 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCC(=O)N2CCOCC2)CC1 ZINC001327974811 917053663 /nfs/dbraw/zinc/05/36/63/917053663.db2.gz DNKSTIGLLPMDFH-CQSZACIVSA-N 1 1 314.430 -1.567 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001327991819 917056888 /nfs/dbraw/zinc/05/68/88/917056888.db2.gz KSXJHAUAWBQPOI-LBPRGKRZSA-N 1 1 310.402 -1.663 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1=O ZINC001328079903 917059767 /nfs/dbraw/zinc/05/97/67/917059767.db2.gz OZIFSFRMLPRYRW-SNVBAGLBSA-N 1 1 310.354 -1.540 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[N@@H+](C)C1CC1 ZINC001328082184 917061832 /nfs/dbraw/zinc/06/18/32/917061832.db2.gz VSSIOXXDVXGFGO-KOLCDFICSA-N 1 1 324.381 -1.151 20 0 DAADMO COCCOCC[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001328128610 917064469 /nfs/dbraw/zinc/06/44/69/917064469.db2.gz FCESZGIFOZCKKB-UHFFFAOYSA-N 1 1 314.386 -2.037 20 0 DAADMO Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)CC(N)=O)CC2)o1 ZINC001328156508 917065324 /nfs/dbraw/zinc/06/53/24/917065324.db2.gz WPEWKFDMWOCNFK-UHFFFAOYSA-N 1 1 311.342 -1.303 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001328269499 917072336 /nfs/dbraw/zinc/07/23/36/917072336.db2.gz UKRRYECWBUVLSH-JTQLQIEISA-N 1 1 322.369 -1.093 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001328266321 917074195 /nfs/dbraw/zinc/07/41/95/917074195.db2.gz IMAIEFRCNOJSTN-CMPLNLGQSA-N 1 1 314.386 -1.407 20 0 DAADMO COCCN(CCF)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001328285220 917076994 /nfs/dbraw/zinc/07/69/94/917076994.db2.gz CJHWRRVCQJUGSQ-NWDGAFQWSA-N 1 1 317.361 -1.292 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](C)C1 ZINC001328359171 917081966 /nfs/dbraw/zinc/08/19/66/917081966.db2.gz VHNHTIIORBYZQV-VWYCJHECSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(CN1CC[NH+](CCOCCO)CC1)N1CCOCC1 ZINC001328380742 917084637 /nfs/dbraw/zinc/08/46/37/917084637.db2.gz HFIASBVWVBSIEO-UHFFFAOYSA-N 1 1 301.387 -1.528 20 0 DAADMO COc1nccc(C[NH+]2CCC(CO)(NC(=O)C(N)=O)CC2)n1 ZINC001328541824 917093349 /nfs/dbraw/zinc/09/33/49/917093349.db2.gz KCUAXLHWYRKLQH-UHFFFAOYSA-N 1 1 323.353 -1.586 20 0 DAADMO [NH3+]CCOCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001328580849 917096186 /nfs/dbraw/zinc/09/61/86/917096186.db2.gz BNLHZCVHGWNOIX-CYBMUJFWSA-N 1 1 300.403 -1.516 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC001328584380 917096732 /nfs/dbraw/zinc/09/67/32/917096732.db2.gz RPHBOWAMJMAVBY-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC001328584208 917097185 /nfs/dbraw/zinc/09/71/85/917097185.db2.gz PLTBYQCXGGVIHO-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001328623387 917099660 /nfs/dbraw/zinc/09/96/60/917099660.db2.gz WUVAMDFWMFYSLG-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1 ZINC001328660449 917101841 /nfs/dbraw/zinc/10/18/41/917101841.db2.gz BTCKRBGKDWBEPK-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO COC[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001328816514 917111515 /nfs/dbraw/zinc/11/15/15/917111515.db2.gz NTNMLQVEAWQLME-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C)(O)CC1 ZINC001328815132 917112226 /nfs/dbraw/zinc/11/22/26/917112226.db2.gz DFWOFQUUULAFND-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)C(=O)NCC3CC3)C2)n1 ZINC001328938315 917121570 /nfs/dbraw/zinc/12/15/70/917121570.db2.gz KFKFZUGZNFXOMM-UHFFFAOYSA-N 1 1 321.385 -1.279 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC001328908845 917121764 /nfs/dbraw/zinc/12/17/64/917121764.db2.gz ZGUBDEAZWACLBD-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001328916070 917122153 /nfs/dbraw/zinc/12/21/53/917122153.db2.gz QIPAPSLYIUDNTR-JTQLQIEISA-N 1 1 312.370 -1.135 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001328982093 917128040 /nfs/dbraw/zinc/12/80/40/917128040.db2.gz SHHLDVUTRUAOAP-RKDXNWHRSA-N 1 1 307.372 -2.360 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001329063689 917136144 /nfs/dbraw/zinc/13/61/44/917136144.db2.gz XJEKOELGVJUYNB-RYUDHWBXSA-N 1 1 322.365 -1.406 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114847 917142975 /nfs/dbraw/zinc/14/29/75/917142975.db2.gz JVMMZIYUYQPWOB-GRYCIOLGSA-N 1 1 312.370 -2.632 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114847 917142984 /nfs/dbraw/zinc/14/29/84/917142984.db2.gz JVMMZIYUYQPWOB-GRYCIOLGSA-N 1 1 312.370 -2.632 20 0 DAADMO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001329135384 917144904 /nfs/dbraw/zinc/14/49/04/917144904.db2.gz RKDAPSURBKHXMU-LSDHHAIUSA-N 1 1 300.447 -1.095 20 0 DAADMO CO[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329121058 917145586 /nfs/dbraw/zinc/14/55/86/917145586.db2.gz PBACOSRDOHGMQH-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@]1(CCCC(=O)NCC[N@H+]2CC[C@@H](O)C2)NC(=O)NC1=O ZINC001329120819 917145650 /nfs/dbraw/zinc/14/56/50/917145650.db2.gz VXHSDHQHUQOVJA-QMTHXVAHSA-N 1 1 312.370 -1.062 20 0 DAADMO C[C@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329199352 917149565 /nfs/dbraw/zinc/14/95/65/917149565.db2.gz YFDATJSUGVDRTC-WUHRBBMRSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329199354 917150138 /nfs/dbraw/zinc/15/01/38/917150138.db2.gz YFDATJSUGVDRTC-YVECIDJPSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ncnn1C ZINC001329203082 917150460 /nfs/dbraw/zinc/15/04/60/917150460.db2.gz CHCIBDINHNWRTB-OUAUKWLOSA-N 1 1 322.369 -1.730 20 0 DAADMO C[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329199350 917150696 /nfs/dbraw/zinc/15/06/96/917150696.db2.gz YFDATJSUGVDRTC-RVMXOQNASA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCCC[NH+]1CCOCC1)C(N)=O ZINC001329193294 917150980 /nfs/dbraw/zinc/15/09/80/917150980.db2.gz IMBTYQZWDJTKMW-NSHDSACASA-N 1 1 300.359 -1.795 20 0 DAADMO Cn1cnc(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001329213639 917151552 /nfs/dbraw/zinc/15/15/52/917151552.db2.gz YZAAFGJWHYGWCJ-QWHCGFSZSA-N 1 1 321.381 -1.644 20 0 DAADMO C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329199353 917151700 /nfs/dbraw/zinc/15/17/00/917151700.db2.gz YFDATJSUGVDRTC-XQHKEYJVSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(CC1(C)COC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329305023 917156920 /nfs/dbraw/zinc/15/69/20/917156920.db2.gz ANAKNNNMIMJOPS-NWDGAFQWSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001329409184 917163076 /nfs/dbraw/zinc/16/30/76/917163076.db2.gz KTVDEHRBHHMKNF-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001329486562 917172666 /nfs/dbraw/zinc/17/26/66/917172666.db2.gz NZWDCBXHPYALGU-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001329486564 917173152 /nfs/dbraw/zinc/17/31/52/917173152.db2.gz NZWDCBXHPYALGU-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCNC1=O)[N@@H+](C)CCOCCO ZINC001329473305 917173247 /nfs/dbraw/zinc/17/32/47/917173247.db2.gz XXJQZTDECLWILS-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)[N@@H+](C)CCOCCO ZINC001329517988 917175833 /nfs/dbraw/zinc/17/58/33/917175833.db2.gz VJDKJNSYHMFKML-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329502711 917177132 /nfs/dbraw/zinc/17/71/32/917177132.db2.gz ZWRPFELLFVMQRG-VXNVDRBHSA-N 1 1 308.342 -1.032 20 0 DAADMO O=C(CCN1C(=O)CCNC1=S)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001329568877 917179034 /nfs/dbraw/zinc/17/90/34/917179034.db2.gz RRRDJKFYKAAUDU-SNVBAGLBSA-N 1 1 314.411 -1.334 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329530233 917179732 /nfs/dbraw/zinc/17/97/32/917179732.db2.gz FHTZJZTZKUCGEV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001329530233 917179740 /nfs/dbraw/zinc/17/97/40/917179740.db2.gz FHTZJZTZKUCGEV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529423 917179814 /nfs/dbraw/zinc/17/98/14/917179814.db2.gz ADLGUUCCLQSWLZ-SFYZADRCSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529423 917179825 /nfs/dbraw/zinc/17/98/25/917179825.db2.gz ADLGUUCCLQSWLZ-SFYZADRCSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@H+](C)CCF ZINC001329575773 917182249 /nfs/dbraw/zinc/18/22/49/917182249.db2.gz WUOPCNJNRVBTSD-QMMMGPOBSA-N 1 1 302.306 -1.187 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CCF ZINC001329575773 917182254 /nfs/dbraw/zinc/18/22/54/917182254.db2.gz WUOPCNJNRVBTSD-QMMMGPOBSA-N 1 1 302.306 -1.187 20 0 DAADMO COCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001329638705 917184437 /nfs/dbraw/zinc/18/44/37/917184437.db2.gz OYRNDFMNMWQOIP-LBPRGKRZSA-N 1 1 302.371 -1.009 20 0 DAADMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001329616111 917184823 /nfs/dbraw/zinc/18/48/23/917184823.db2.gz RBJSDIORCRVXCR-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001329612065 917185523 /nfs/dbraw/zinc/18/55/23/917185523.db2.gz ABXCSGGAXVJMHZ-NXEZZACHSA-N 1 1 312.370 -1.164 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001329707512 917190622 /nfs/dbraw/zinc/19/06/22/917190622.db2.gz IMIMYGSFCUCQCQ-UHFFFAOYSA-N 1 1 312.370 -1.158 20 0 DAADMO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001329713148 917190720 /nfs/dbraw/zinc/19/07/20/917190720.db2.gz MVPMWHCTWXTZNE-UMSGYPCISA-N 1 1 311.382 -1.243 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001329749763 917195937 /nfs/dbraw/zinc/19/59/37/917195937.db2.gz MUSRZEXAXDLRKQ-UPJWGTAASA-N 1 1 313.398 -1.259 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](O)[C@@H](CO)C1)[C@H]1CC[N@@H+](C)C1 ZINC001329749761 917196244 /nfs/dbraw/zinc/19/62/44/917196244.db2.gz MUSRZEXAXDLRKQ-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001329811017 917199887 /nfs/dbraw/zinc/19/98/87/917199887.db2.gz PIUHTAFDCCXRRN-LOWDOPEQSA-N 1 1 310.398 -1.216 20 0 DAADMO O=C(C(=O)N1CCCNC(=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329790677 917199981 /nfs/dbraw/zinc/19/99/81/917199981.db2.gz OIUUEJPIGRSMMV-WDEREUQCSA-N 1 1 310.354 -2.388 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)CC[C@H]21 ZINC001329850046 917204471 /nfs/dbraw/zinc/20/44/71/917204471.db2.gz WOABCKKWENMPFF-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2nnnn2CC2CC2)C1 ZINC001329851297 917204634 /nfs/dbraw/zinc/20/46/34/917204634.db2.gz WVHRGGYRXCVZFY-NSHDSACASA-N 1 1 321.385 -1.090 20 0 DAADMO NC(=O)[C@](O)(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC001329893711 917210178 /nfs/dbraw/zinc/21/01/78/917210178.db2.gz XKQHSQKZRXEUCH-RWSFTLGLSA-N 1 1 303.318 -1.436 20 0 DAADMO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329951258 917214237 /nfs/dbraw/zinc/21/42/37/917214237.db2.gz QVYSLGUBGYPMIH-QJPTWQEYSA-N 1 1 312.370 -2.632 20 0 DAADMO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329951260 917214354 /nfs/dbraw/zinc/21/43/54/917214354.db2.gz QVYSLGUBGYPMIH-TUAOUCFPSA-N 1 1 312.370 -2.632 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H](CO)[C@H](O)C1 ZINC001329969496 917217367 /nfs/dbraw/zinc/21/73/67/917217367.db2.gz FFPGLDYHKAXDMP-WRWGMCAJSA-N 1 1 313.354 -2.925 20 0 DAADMO CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330018056 917219401 /nfs/dbraw/zinc/21/94/01/917219401.db2.gz BYTGOOMBPGVUHA-NXEZZACHSA-N 1 1 321.399 -1.970 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330006740 917220137 /nfs/dbraw/zinc/22/01/37/917220137.db2.gz CSZCSAVNZVUJGP-NWDGAFQWSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCNC(=O)C1 ZINC001330063785 917226207 /nfs/dbraw/zinc/22/62/07/917226207.db2.gz DKMDNUXXCFHEKF-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC001330177181 917231277 /nfs/dbraw/zinc/23/12/77/917231277.db2.gz GOJIOYOTMUUFMI-UHFFFAOYSA-N 1 1 309.374 -1.231 20 0 DAADMO Cn1cc(/C=C/C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC001330148723 917232422 /nfs/dbraw/zinc/23/24/22/917232422.db2.gz AESKVVQDSOEMKW-AAOUONPWSA-N 1 1 322.365 -1.720 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nn1 ZINC001330252736 917234530 /nfs/dbraw/zinc/23/45/30/917234530.db2.gz VVHZFUGRZCAEEO-JQWIXIFHSA-N 1 1 306.370 -1.016 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001330327269 917239850 /nfs/dbraw/zinc/23/98/50/917239850.db2.gz JPPSWIXBMBLFCP-LPWJVIDDSA-N 1 1 313.398 -1.201 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)CCO1 ZINC001330325080 917240348 /nfs/dbraw/zinc/24/03/48/917240348.db2.gz AXQNHSXPYCLEGS-FIQHERPVSA-N 1 1 324.381 -1.987 20 0 DAADMO Cc1cnn(C)c1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001330320880 917240567 /nfs/dbraw/zinc/24/05/67/917240567.db2.gz XLWHDZAAEQUPFU-WDEREUQCSA-N 1 1 307.354 -1.056 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001330360658 917242066 /nfs/dbraw/zinc/24/20/66/917242066.db2.gz RMJKYNUFCNNHOZ-CNDDSTCGSA-N 1 1 309.366 -1.188 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CC[N@@H+]1C ZINC001330495639 917249994 /nfs/dbraw/zinc/24/99/94/917249994.db2.gz JNFRXGLPLOHKHS-JHJVBQTASA-N 1 1 313.398 -1.403 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CC[N@H+]1C ZINC001330495639 917250014 /nfs/dbraw/zinc/25/00/14/917250014.db2.gz JNFRXGLPLOHKHS-JHJVBQTASA-N 1 1 313.398 -1.403 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCS1(=O)=O ZINC001330555163 917255862 /nfs/dbraw/zinc/25/58/62/917255862.db2.gz LTZDQDAZKRTTGS-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCS1(=O)=O ZINC001330555163 917255874 /nfs/dbraw/zinc/25/58/74/917255874.db2.gz LTZDQDAZKRTTGS-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001330642427 917259375 /nfs/dbraw/zinc/25/93/75/917259375.db2.gz BDGXWTOKYNZMKH-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)NC)C1 ZINC001330917381 917270285 /nfs/dbraw/zinc/27/02/85/917270285.db2.gz FNBHDCJNQKVKJE-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCOCCF ZINC001330934982 917270767 /nfs/dbraw/zinc/27/07/67/917270767.db2.gz PHSDUNZHDPGSCV-NSHDSACASA-N 1 1 304.366 -1.549 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NC)C1 ZINC001330917970 917271132 /nfs/dbraw/zinc/27/11/32/917271132.db2.gz FNBHDCJNQKVKJE-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1COCCO1)[C@@H]1CCNC1=O ZINC001331101953 917276944 /nfs/dbraw/zinc/27/69/44/917276944.db2.gz CJYVZMQKXXASHX-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO COC(=O)Cn1cc(CC[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nn1 ZINC001331144762 917279197 /nfs/dbraw/zinc/27/91/97/917279197.db2.gz OGTCMRLJBOWJPR-PHIMTYICSA-N 1 1 321.337 -1.460 20 0 DAADMO C[N@H+](CCOCCNC(=O)C1CS(=O)(=O)C1)CC(N)=O ZINC001331122867 917279451 /nfs/dbraw/zinc/27/94/51/917279451.db2.gz MPNZEZBWAWJZGY-UHFFFAOYSA-N 1 1 307.372 -2.419 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C1CS(=O)(=O)C1)CC(N)=O ZINC001331122867 917279472 /nfs/dbraw/zinc/27/94/72/917279472.db2.gz MPNZEZBWAWJZGY-UHFFFAOYSA-N 1 1 307.372 -2.419 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@]12C[C@H]1COC2)[C@@H]1CCNC1=O ZINC001331123194 917280593 /nfs/dbraw/zinc/28/05/93/917280593.db2.gz QHAQNPQZHYURTR-ZOWXZIJZSA-N 1 1 311.382 -1.024 20 0 DAADMO Cn1cnc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCCNC2=O)n1 ZINC001331119357 917280609 /nfs/dbraw/zinc/28/06/09/917280609.db2.gz YTZLJWLLECUIFX-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO C[N@H+](CCOCCNC(=O)C(N)=O)CC(=O)N1CCOCC1 ZINC001331144561 917280697 /nfs/dbraw/zinc/28/06/97/917280697.db2.gz KJFCPFFIPDDYKZ-UHFFFAOYSA-N 1 1 316.358 -2.605 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C(N)=O)CC(=O)N1CCOCC1 ZINC001331144561 917280707 /nfs/dbraw/zinc/28/07/07/917280707.db2.gz KJFCPFFIPDDYKZ-UHFFFAOYSA-N 1 1 316.358 -2.605 20 0 DAADMO C[N@H+](CCOCCNC(=O)c1nc2ncccn2n1)CC(N)=O ZINC001331159219 917284370 /nfs/dbraw/zinc/28/43/70/917284370.db2.gz RUFZQSCFINBBOO-UHFFFAOYSA-N 1 1 321.341 -1.712 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1nc2ncccn2n1)CC(N)=O ZINC001331159219 917284383 /nfs/dbraw/zinc/28/43/83/917284383.db2.gz RUFZQSCFINBBOO-UHFFFAOYSA-N 1 1 321.341 -1.712 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC(O)(C(=O)OC)C1 ZINC001331208185 917286669 /nfs/dbraw/zinc/28/66/69/917286669.db2.gz RIAFLCSIVXVLAK-JTQLQIEISA-N 1 1 315.370 -1.421 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001331321044 917290636 /nfs/dbraw/zinc/29/06/36/917290636.db2.gz XGIWHICGLHTPGH-JTQLQIEISA-N 1 1 309.374 -1.105 20 0 DAADMO CS(=O)(=O)C1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001331581208 917301137 /nfs/dbraw/zinc/30/11/37/917301137.db2.gz BHGDBNYFRNLQCM-VIFPVBQESA-N 1 1 319.383 -2.216 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001331669160 917313929 /nfs/dbraw/zinc/31/39/29/917313929.db2.gz XXGGRBPNSXYBFU-ZJUUUORDSA-N 1 1 322.369 -1.196 20 0 DAADMO COc1cc(C[NH2+][C@@H](CO)CNC(=O)CC(N)=O)sn1 ZINC001331684329 917316543 /nfs/dbraw/zinc/31/65/43/917316543.db2.gz PCHKEAFPQOXHRM-SSDOTTSWSA-N 1 1 302.356 -1.406 20 0 DAADMO C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331686860 917317064 /nfs/dbraw/zinc/31/70/64/917317064.db2.gz OEIPQLJXYADUFX-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001331742428 917327467 /nfs/dbraw/zinc/32/74/67/917327467.db2.gz BGAWOXFREGIWEA-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001331742428 917327481 /nfs/dbraw/zinc/32/74/81/917327481.db2.gz BGAWOXFREGIWEA-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001331741097 917328029 /nfs/dbraw/zinc/32/80/29/917328029.db2.gz UPNMNQHFNHNMSR-LBPRGKRZSA-N 1 1 322.365 -1.220 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001331772611 917333428 /nfs/dbraw/zinc/33/34/28/917333428.db2.gz PTQOVDXONOHAAJ-VXGBXAGGSA-N 1 1 321.443 -1.418 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001331773791 917333533 /nfs/dbraw/zinc/33/35/33/917333533.db2.gz IFOKQBYTJXJYCY-VIFPVBQESA-N 1 1 310.358 -1.870 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)C2(C(N)=O)CC2)cn1 ZINC001331776402 917337303 /nfs/dbraw/zinc/33/73/03/917337303.db2.gz YCVKMQQUWMCUCM-NSHDSACASA-N 1 1 307.354 -1.383 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CCCCC1 ZINC001331776369 917339223 /nfs/dbraw/zinc/33/92/23/917339223.db2.gz XZLBBHZWVUAKFA-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001331821324 917341072 /nfs/dbraw/zinc/34/10/72/917341072.db2.gz YKPANCGHOYYVFS-SECBINFHSA-N 1 1 324.341 -2.461 20 0 DAADMO Cn1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(=O)[nH]c1=O ZINC001331808620 917341140 /nfs/dbraw/zinc/34/11/40/917341140.db2.gz ZIZWMTRTEDWSRH-JTQLQIEISA-N 1 1 323.353 -1.445 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001331806532 917342993 /nfs/dbraw/zinc/34/29/93/917342993.db2.gz WTENWSGYUUALBU-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO CCNS(=O)(=O)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001331958454 917351353 /nfs/dbraw/zinc/35/13/53/917351353.db2.gz KYHCMXKPGBXNJV-LBPRGKRZSA-N 1 1 308.448 -1.876 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)CCNC(=O)CO)CC1 ZINC001332079491 917353120 /nfs/dbraw/zinc/35/31/20/917353120.db2.gz ZFZLWYHQRZMEIP-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO CNS(=O)(=O)CCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001332288081 917361283 /nfs/dbraw/zinc/36/12/83/917361283.db2.gz NKOHSIZJJXBDKF-GFCCVEGCSA-N 1 1 308.448 -1.876 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001332250692 917361653 /nfs/dbraw/zinc/36/16/53/917361653.db2.gz NOVNHFWFUNQRGD-HZSPNIEDSA-N 1 1 323.441 -1.299 20 0 DAADMO O=C1CNC(=O)N1CC[N@H+]1CCNC(=O)CC12CCOCC2 ZINC001332291797 917362781 /nfs/dbraw/zinc/36/27/81/917362781.db2.gz JLBBGICZRVGPSL-UHFFFAOYSA-N 1 1 310.354 -1.091 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001332367628 917366823 /nfs/dbraw/zinc/36/68/23/917366823.db2.gz RQZKCRLWJNZCJP-OLZOCXBDSA-N 1 1 304.387 -1.217 20 0 DAADMO C[C@@]1(C2CCN(CC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC001332414720 917369899 /nfs/dbraw/zinc/36/98/99/917369899.db2.gz DADICSXMFHJLPS-HNNXBMFYSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001332490865 917379811 /nfs/dbraw/zinc/37/98/11/917379811.db2.gz OITCVTAKHYYNGS-UWVGGRQHSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@]1(C)CCNC1=O ZINC001332566119 917385453 /nfs/dbraw/zinc/38/54/53/917385453.db2.gz KNRIGXJERBXAND-GWCFXTLKSA-N 1 1 311.342 -1.495 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001332567515 917387024 /nfs/dbraw/zinc/38/70/24/917387024.db2.gz VDUFNJONMDGVOQ-NSHDSACASA-N 1 1 324.385 -1.528 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@]1(C)CCNC1=O ZINC001332567607 917389105 /nfs/dbraw/zinc/38/91/05/917389105.db2.gz VYWIHESLHCTZIR-RISCZKNCSA-N 1 1 324.385 -1.750 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001332594823 917391179 /nfs/dbraw/zinc/39/11/79/917391179.db2.gz TUOUNIBRHCXKJC-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)CC(N)=O ZINC001332619619 917392996 /nfs/dbraw/zinc/39/29/96/917392996.db2.gz ORFVVJZQCSKHLV-JTQLQIEISA-N 1 1 315.374 -2.362 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001332619686 917395502 /nfs/dbraw/zinc/39/55/02/917395502.db2.gz PPSPXWIMNWUZPO-VHSXEESVSA-N 1 1 302.375 -1.910 20 0 DAADMO CCn1nncc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001332656823 917401991 /nfs/dbraw/zinc/40/19/91/917401991.db2.gz PKHVHRADDGVADI-CMPLNLGQSA-N 1 1 322.369 -1.808 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663470 917402324 /nfs/dbraw/zinc/40/23/24/917402324.db2.gz CZBJRCWLBFRJHB-KOLCDFICSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663470 917402332 /nfs/dbraw/zinc/40/23/32/917402332.db2.gz CZBJRCWLBFRJHB-KOLCDFICSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001332676413 917405061 /nfs/dbraw/zinc/40/50/61/917405061.db2.gz BHLRZIYOIAMIIZ-VHSXEESVSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001332676413 917405073 /nfs/dbraw/zinc/40/50/73/917405073.db2.gz BHLRZIYOIAMIIZ-VHSXEESVSA-N 1 1 318.349 -1.305 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001332676377 917405195 /nfs/dbraw/zinc/40/51/95/917405195.db2.gz APCVOCAOVNLIOR-JTQLQIEISA-N 1 1 316.358 -2.064 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332678215 917405646 /nfs/dbraw/zinc/40/56/46/917405646.db2.gz YQZWAMQFTFERIM-WDEREUQCSA-N 1 1 315.370 -1.827 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H](C)C(=O)NC(N)=O)C(=O)C(N)=O ZINC001332721750 917408183 /nfs/dbraw/zinc/40/81/83/917408183.db2.gz BEPUGBNHYFMMJS-MRVPVSSYSA-N 1 1 301.347 -1.776 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)C(=O)C(N)=O ZINC001332721750 917408187 /nfs/dbraw/zinc/40/81/87/917408187.db2.gz BEPUGBNHYFMMJS-MRVPVSSYSA-N 1 1 301.347 -1.776 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)nn1 ZINC001332742617 917408390 /nfs/dbraw/zinc/40/83/90/917408390.db2.gz LFUSSFVTUXBUJG-UHFFFAOYSA-N 1 1 312.399 -1.404 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC=C[C@H]2CO)CC1(C)C ZINC001332842940 917414281 /nfs/dbraw/zinc/41/42/81/917414281.db2.gz PMXHDOFCESUZIF-ZDUSSCGKSA-N 1 1 324.425 -1.112 20 0 DAADMO C[C@@H]1C[N@@H+](CCc2nnnn2C)CCN1CCc1nnnn1C ZINC001333019126 917418952 /nfs/dbraw/zinc/41/89/52/917418952.db2.gz MIAKQNSCFDUSQN-LLVKDONJSA-N 1 1 320.405 -1.475 20 0 DAADMO C[C@@H]1CN(CCc2nnnn2C)CC[N@@H+]1CCc1nnnn1C ZINC001333019126 917418967 /nfs/dbraw/zinc/41/89/67/917418967.db2.gz MIAKQNSCFDUSQN-LLVKDONJSA-N 1 1 320.405 -1.475 20 0 DAADMO C[C@@H]1CN(CCc2nnnn2C)CC[N@H+]1CCc1nnnn1C ZINC001333019126 917418980 /nfs/dbraw/zinc/41/89/80/917418980.db2.gz MIAKQNSCFDUSQN-LLVKDONJSA-N 1 1 320.405 -1.475 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001332963519 917419978 /nfs/dbraw/zinc/41/99/78/917419978.db2.gz OOHZGAQYBMMAQT-RQJABVFESA-N 1 1 323.393 -1.099 20 0 DAADMO C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332963904 917421682 /nfs/dbraw/zinc/42/16/82/917421682.db2.gz NKLIRBDLYXWRTD-MROQNXINSA-N 1 1 311.382 -1.507 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001333116196 917423485 /nfs/dbraw/zinc/42/34/85/917423485.db2.gz OKEMGZJDQOSPBX-UHFFFAOYSA-N 1 1 307.358 -1.445 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001333099809 917424860 /nfs/dbraw/zinc/42/48/60/917424860.db2.gz IUBSBGNPZXKWOR-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001333099809 917424885 /nfs/dbraw/zinc/42/48/85/917424885.db2.gz IUBSBGNPZXKWOR-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001333099809 917424896 /nfs/dbraw/zinc/42/48/96/917424896.db2.gz IUBSBGNPZXKWOR-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C[C@@H]1O ZINC001333208207 917427122 /nfs/dbraw/zinc/42/71/22/917427122.db2.gz YPWXNFRGDPBWFZ-RYUDHWBXSA-N 1 1 305.371 -1.056 20 0 DAADMO COCC(=O)NCC1=CC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001333269358 917431503 /nfs/dbraw/zinc/43/15/03/917431503.db2.gz QUQFVPMTFRTLSY-UHFFFAOYSA-N 1 1 310.354 -1.067 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H]1CN(C)CCN1C)[C@@H]1CC[NH2+]C1 ZINC001333376964 917438171 /nfs/dbraw/zinc/43/81/71/917438171.db2.gz FFIOKPLCALTTGC-CHWSQXEVSA-N 1 1 311.430 -1.441 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCCCN2CCCC2=O)[C@@H](CO)C1 ZINC001333430371 917440799 /nfs/dbraw/zinc/44/07/99/917440799.db2.gz ZBBQKQYWFPOYGD-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCCCN2CCCC2=O)[C@@H](CO)C1 ZINC001333430371 917440809 /nfs/dbraw/zinc/44/08/09/917440809.db2.gz ZBBQKQYWFPOYGD-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001333445335 917445075 /nfs/dbraw/zinc/44/50/75/917445075.db2.gz TZOIDUNODDJOBY-UHFFFAOYSA-N 1 1 318.399 -1.889 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001333445335 917445085 /nfs/dbraw/zinc/44/50/85/917445085.db2.gz TZOIDUNODDJOBY-UHFFFAOYSA-N 1 1 318.399 -1.889 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001333532673 917447081 /nfs/dbraw/zinc/44/70/81/917447081.db2.gz SMTJSWBPGUBKSC-AVERBVTBSA-N 1 1 309.414 -1.783 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC001333730412 917457355 /nfs/dbraw/zinc/45/73/55/917457355.db2.gz RYUGPLLGOFTQIN-CYBMUJFWSA-N 1 1 301.387 -1.218 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCSC)CC1 ZINC001333818232 917463188 /nfs/dbraw/zinc/46/31/88/917463188.db2.gz DTWPIAXXXFASHA-UHFFFAOYSA-N 1 1 316.427 -1.208 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001333874339 917466163 /nfs/dbraw/zinc/46/61/63/917466163.db2.gz SHWCRAGOIDOJHK-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001333874339 917466166 /nfs/dbraw/zinc/46/61/66/917466166.db2.gz SHWCRAGOIDOJHK-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)cn1 ZINC001334057455 917471773 /nfs/dbraw/zinc/47/17/73/917471773.db2.gz ORKCMGNMIHGGQY-NWDGAFQWSA-N 1 1 320.397 -1.065 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)cn1 ZINC001334057455 917471783 /nfs/dbraw/zinc/47/17/83/917471783.db2.gz ORKCMGNMIHGGQY-NWDGAFQWSA-N 1 1 320.397 -1.065 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001334432747 917488840 /nfs/dbraw/zinc/48/88/40/917488840.db2.gz BITYUVPZTHMMDP-LLVKDONJSA-N 1 1 310.354 -1.139 20 0 DAADMO COC[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001334454222 917489093 /nfs/dbraw/zinc/48/90/93/917489093.db2.gz FFRGKUWFMNZCPM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001334451197 917489943 /nfs/dbraw/zinc/48/99/43/917489943.db2.gz QJRXJQJQUCNPMB-OUAUKWLOSA-N 1 1 315.395 -1.690 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001334451197 917489979 /nfs/dbraw/zinc/48/99/79/917489979.db2.gz QJRXJQJQUCNPMB-OUAUKWLOSA-N 1 1 315.395 -1.690 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001334500127 917492986 /nfs/dbraw/zinc/49/29/86/917492986.db2.gz IIYQTHYNNQBVHH-WDEREUQCSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001334500127 917492999 /nfs/dbraw/zinc/49/29/99/917492999.db2.gz IIYQTHYNNQBVHH-WDEREUQCSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNC(=O)C(N)=O)C1 ZINC001334500122 917493419 /nfs/dbraw/zinc/49/34/19/917493419.db2.gz IIYQTHYNNQBVHH-MNOVXSKESA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)CNC(=O)C(N)=O)C1 ZINC001334500122 917493425 /nfs/dbraw/zinc/49/34/25/917493425.db2.gz IIYQTHYNNQBVHH-MNOVXSKESA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001334501123 917493659 /nfs/dbraw/zinc/49/36/59/917493659.db2.gz QIZOGCOGORQACR-QWRGUYRKSA-N 1 1 324.385 -1.738 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC001334639238 917498754 /nfs/dbraw/zinc/49/87/54/917498754.db2.gz BVSNNVDWLFPQDM-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001334599136 917499154 /nfs/dbraw/zinc/49/91/54/917499154.db2.gz PGKWUKBMALROCP-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001334599136 917499165 /nfs/dbraw/zinc/49/91/65/917499165.db2.gz PGKWUKBMALROCP-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001334599134 917499736 /nfs/dbraw/zinc/49/97/36/917499736.db2.gz PGKWUKBMALROCP-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001334599134 917499746 /nfs/dbraw/zinc/49/97/46/917499746.db2.gz PGKWUKBMALROCP-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CCO)CN(C(=O)C(N)=O)C2)C1 ZINC001334682472 917503266 /nfs/dbraw/zinc/50/32/66/917503266.db2.gz WGLSGPGFUWSGOT-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC001334763047 917506692 /nfs/dbraw/zinc/50/66/92/917506692.db2.gz IXHGDCQJONPVLA-HTVCTNPSSA-N 1 1 322.409 -1.398 20 0 DAADMO CNC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001334869887 917511318 /nfs/dbraw/zinc/51/13/18/917511318.db2.gz SRJCEUYWFBHWSB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001334869887 917511337 /nfs/dbraw/zinc/51/13/37/917511337.db2.gz SRJCEUYWFBHWSB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334848980 917511872 /nfs/dbraw/zinc/51/18/72/917511872.db2.gz GBHFXSYFRYXJSF-DCAQKATOSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334848980 917511881 /nfs/dbraw/zinc/51/18/81/917511881.db2.gz GBHFXSYFRYXJSF-DCAQKATOSA-N 1 1 310.354 -2.077 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334993910 917514586 /nfs/dbraw/zinc/51/45/86/917514586.db2.gz XQIJBMROLFHIDM-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334993910 917514603 /nfs/dbraw/zinc/51/46/03/917514603.db2.gz XQIJBMROLFHIDM-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC=C[C@H]1CO ZINC001335094569 917520241 /nfs/dbraw/zinc/52/02/41/917520241.db2.gz YZKZCDAYLPWPQG-AWEZNQCLSA-N 1 1 324.425 -1.158 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001335077911 917521286 /nfs/dbraw/zinc/52/12/86/917521286.db2.gz ZOCIGPJXXHCAGX-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001335077911 917521302 /nfs/dbraw/zinc/52/13/02/917521302.db2.gz ZOCIGPJXXHCAGX-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)NC1)CCOCCO ZINC001335152135 917525937 /nfs/dbraw/zinc/52/59/37/917525937.db2.gz ZHYLAMSZAPMFMV-LBPRGKRZSA-N 1 1 301.387 -1.040 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001335328988 917545606 /nfs/dbraw/zinc/54/56/06/917545606.db2.gz DPUNRBZEUJKVCC-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO C[C@@H]1COCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001335575686 917553737 /nfs/dbraw/zinc/55/37/37/917553737.db2.gz NGAHOTGEAAAHHV-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001335554438 917553986 /nfs/dbraw/zinc/55/39/86/917553986.db2.gz DVIMMMWKCAMVAV-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001335554438 917554000 /nfs/dbraw/zinc/55/40/00/917554000.db2.gz DVIMMMWKCAMVAV-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001335951475 917564821 /nfs/dbraw/zinc/56/48/21/917564821.db2.gz ORBAWMMKGKZSBQ-CYBMUJFWSA-N 1 1 320.459 -1.780 20 0 DAADMO CN1C(=O)NC2(CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)C1=O ZINC001336051742 917568376 /nfs/dbraw/zinc/56/83/76/917568376.db2.gz UDAIPHMDENKRFN-UHFFFAOYSA-N 1 1 323.353 -1.009 20 0 DAADMO CN1CCC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC001336156356 917570469 /nfs/dbraw/zinc/57/04/69/917570469.db2.gz LMMNAQQRSQCZTL-TUAOUCFPSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@@H](CCCNC(=O)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001336199542 917574011 /nfs/dbraw/zinc/57/40/11/917574011.db2.gz TYQVDKPMZAKSPN-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001336231675 917574762 /nfs/dbraw/zinc/57/47/62/917574762.db2.gz MQZHZFCBEIPSCK-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001336231675 917574785 /nfs/dbraw/zinc/57/47/85/917574785.db2.gz MQZHZFCBEIPSCK-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001336312644 917577950 /nfs/dbraw/zinc/57/79/50/917577950.db2.gz NZJKBUUNHGTQPW-SECBINFHSA-N 1 1 313.354 -1.668 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC001336342904 917579411 /nfs/dbraw/zinc/57/94/11/917579411.db2.gz HUMCENKYOSHKPT-ZJUUUORDSA-N 1 1 313.354 -1.668 20 0 DAADMO Cn1nnnc1CCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001336888822 917606956 /nfs/dbraw/zinc/60/69/56/917606956.db2.gz MNQXEGAOSSUVAO-LLVKDONJSA-N 1 1 309.374 -1.397 20 0 DAADMO Cn1nnnc1CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001336888822 917606967 /nfs/dbraw/zinc/60/69/67/917606967.db2.gz MNQXEGAOSSUVAO-LLVKDONJSA-N 1 1 309.374 -1.397 20 0 DAADMO C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001337310199 917615500 /nfs/dbraw/zinc/61/55/00/917615500.db2.gz AEAFSCXWEHVZML-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001337377937 917619188 /nfs/dbraw/zinc/61/91/88/917619188.db2.gz SHYYPXARHCQOHX-XQQFMLRXSA-N 1 1 309.414 -1.689 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337602124 917631933 /nfs/dbraw/zinc/63/19/33/917631933.db2.gz MPRCYURCMXSGSH-UWVGGRQHSA-N 1 1 300.359 -2.203 20 0 DAADMO CCOCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001337654910 917642270 /nfs/dbraw/zinc/64/22/70/917642270.db2.gz FTFIFJQAGLBVHW-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001337769112 917653812 /nfs/dbraw/zinc/65/38/12/917653812.db2.gz TZKRKDXQKVZUEQ-GHMZBOCLSA-N 1 1 323.353 -2.079 20 0 DAADMO C[C@@H]1CCOCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001338092346 917669975 /nfs/dbraw/zinc/66/99/75/917669975.db2.gz SJBQUUAXISAWAU-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@H]2CO)C[C@H](C)[N@H+]1CCO ZINC001338183518 917673070 /nfs/dbraw/zinc/67/30/70/917673070.db2.gz FCFCDZZTYWCWQY-XQQFMLRXSA-N 1 1 311.382 -1.341 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@H]2CO)C[C@H](C)[N@@H+]1CCO ZINC001338183518 917673075 /nfs/dbraw/zinc/67/30/75/917673075.db2.gz FCFCDZZTYWCWQY-XQQFMLRXSA-N 1 1 311.382 -1.341 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001338246100 917675562 /nfs/dbraw/zinc/67/55/62/917675562.db2.gz BYSKRHLSEMMUFM-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001338456251 917684695 /nfs/dbraw/zinc/68/46/95/917684695.db2.gz NFKSTWIQOLIVHQ-DTWKUNHWSA-N 1 1 302.331 -3.262 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001338456251 917684705 /nfs/dbraw/zinc/68/47/05/917684705.db2.gz NFKSTWIQOLIVHQ-DTWKUNHWSA-N 1 1 302.331 -3.262 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC=C[C@H]1CO)C[NH+]1CCOCC1 ZINC001338486286 917687064 /nfs/dbraw/zinc/68/70/64/917687064.db2.gz GSEDJVAGFGBAQK-OLZOCXBDSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC=C[C@@H]1CO)C[NH+]1CCOCC1 ZINC001338486284 917687796 /nfs/dbraw/zinc/68/77/96/917687796.db2.gz GSEDJVAGFGBAQK-CHWSQXEVSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O)C1 ZINC001338596096 917695224 /nfs/dbraw/zinc/69/52/24/917695224.db2.gz QUDMVKFKCPCZFQ-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CS(=O)(=O)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC001338794853 917705009 /nfs/dbraw/zinc/70/50/09/917705009.db2.gz WAZXOPXNVBSQTB-UHFFFAOYSA-N 1 1 304.372 -1.495 20 0 DAADMO CS(=O)(=O)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001338794853 917705023 /nfs/dbraw/zinc/70/50/23/917705023.db2.gz WAZXOPXNVBSQTB-UHFFFAOYSA-N 1 1 304.372 -1.495 20 0 DAADMO CN1CC[N@H+](C)C[C@H]1CNC(=S)NCCNS(C)(=O)=O ZINC001338809198 917708873 /nfs/dbraw/zinc/70/88/73/917708873.db2.gz JZCDZBBLMVDBFJ-SNVBAGLBSA-N 1 1 323.488 -1.755 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=S)NCCNS(C)(=O)=O ZINC001338809198 917708883 /nfs/dbraw/zinc/70/88/83/917708883.db2.gz JZCDZBBLMVDBFJ-SNVBAGLBSA-N 1 1 323.488 -1.755 20 0 DAADMO O=C1NC(=O)[C@]2(CCC[N@@H+](CCN3CCCS3(=O)=O)C2)N1 ZINC001339474216 917716880 /nfs/dbraw/zinc/71/68/80/917716880.db2.gz GHHTWGDPHSGCPN-GFCCVEGCSA-N 1 1 316.383 -1.304 20 0 DAADMO CNC(=O)C[NH+]1CCC(N2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)CC1 ZINC001339979364 917724451 /nfs/dbraw/zinc/72/44/51/917724451.db2.gz JPWIPTLPHAPVAJ-YPMHNXCESA-N 1 1 324.381 -1.016 20 0 DAADMO CCN1C(=O)[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN2C1=O ZINC001340049738 917728420 /nfs/dbraw/zinc/72/84/20/917728420.db2.gz VRPNPLNUDUEGLJ-SECBINFHSA-N 1 1 309.326 -1.494 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN2C1=O ZINC001340049738 917728427 /nfs/dbraw/zinc/72/84/27/917728427.db2.gz VRPNPLNUDUEGLJ-SECBINFHSA-N 1 1 309.326 -1.494 20 0 DAADMO Cn1cc(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC001340157763 917729685 /nfs/dbraw/zinc/72/96/85/917729685.db2.gz IWGCDJFZRSNTAO-UHFFFAOYSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001340156805 917730555 /nfs/dbraw/zinc/73/05/55/917730555.db2.gz CJLUCXUPIWSAAT-SWLSCSKDSA-N 1 1 311.382 -1.334 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001340212846 917731421 /nfs/dbraw/zinc/73/14/21/917731421.db2.gz UKSIFRXRVYLFEE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC001340596431 917737261 /nfs/dbraw/zinc/73/72/61/917737261.db2.gz JGPJBNUUTDGYAO-WOPDTQHZSA-N 1 1 324.381 -1.558 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1nnn(C)n1 ZINC001340616869 917737762 /nfs/dbraw/zinc/73/77/62/917737762.db2.gz NFGLZCHRIODTNW-UHFFFAOYSA-N 1 1 313.362 -2.089 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001340695959 917739480 /nfs/dbraw/zinc/73/94/80/917739480.db2.gz AEDMRNSKYDFPPV-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C[C@H]1CNCCS1(=O)=O ZINC001340822125 917743278 /nfs/dbraw/zinc/74/32/78/917743278.db2.gz MMIRYGWNMLZIKN-LBPRGKRZSA-N 1 1 321.443 -1.152 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)O1 ZINC001341032175 917748195 /nfs/dbraw/zinc/74/81/95/917748195.db2.gz QXEMMWRJQVTDAF-JLLWLGSASA-N 1 1 324.381 -1.512 20 0 DAADMO COC(=O)NC1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC001341160661 917748574 /nfs/dbraw/zinc/74/85/74/917748574.db2.gz CPRJGUGNICFUJE-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@H](CO)C1 ZINC001341182588 917748743 /nfs/dbraw/zinc/74/87/43/917748743.db2.gz OWKSMLOAYCSBTF-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@H](CO)C1 ZINC001341182589 917748982 /nfs/dbraw/zinc/74/89/82/917748982.db2.gz OWKSMLOAYCSBTF-YNEHKIRRSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001341649476 917760837 /nfs/dbraw/zinc/76/08/37/917760837.db2.gz MCQPWSVSCYEYRE-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)[N@@H+](C)C1CC1 ZINC001341758006 917764248 /nfs/dbraw/zinc/76/42/48/917764248.db2.gz CXECKLZHJIGJHY-QMMMGPOBSA-N 1 1 323.353 -1.011 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001341753119 917764666 /nfs/dbraw/zinc/76/46/66/917764666.db2.gz QLYNNLOMKYUSAK-GMTAPVOTSA-N 1 1 324.381 -1.966 20 0 DAADMO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001341853854 917767654 /nfs/dbraw/zinc/76/76/54/917767654.db2.gz FKNQWWDSQCERIV-LLVKDONJSA-N 1 1 313.354 -1.048 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CCNC2=O)C1 ZINC001341898900 917768981 /nfs/dbraw/zinc/76/89/81/917768981.db2.gz OUSQJUHNDBRRLX-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001341893896 917769784 /nfs/dbraw/zinc/76/97/84/917769784.db2.gz JOKKVPYOMGYLQL-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001341893896 917769788 /nfs/dbraw/zinc/76/97/88/917769788.db2.gz JOKKVPYOMGYLQL-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001341971522 917772470 /nfs/dbraw/zinc/77/24/70/917772470.db2.gz PUDIWUZDPCAPDV-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001341971522 917772478 /nfs/dbraw/zinc/77/24/78/917772478.db2.gz PUDIWUZDPCAPDV-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC001341969461 917772614 /nfs/dbraw/zinc/77/26/14/917772614.db2.gz DDQYKFUOCWRZNC-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001342248231 917782963 /nfs/dbraw/zinc/78/29/63/917782963.db2.gz BTAWVGJKNHQYRU-AOOOYVTPSA-N 1 1 301.368 -1.095 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001342248231 917782978 /nfs/dbraw/zinc/78/29/78/917782978.db2.gz BTAWVGJKNHQYRU-AOOOYVTPSA-N 1 1 301.368 -1.095 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001342468389 917783532 /nfs/dbraw/zinc/78/35/32/917783532.db2.gz ZEHLIPWCKJUNJC-QWRGUYRKSA-N 1 1 324.385 -1.822 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)C(=O)N(C)C ZINC001342732921 917788266 /nfs/dbraw/zinc/78/82/66/917788266.db2.gz CPSPWQZBKAJLHT-VIFPVBQESA-N 1 1 324.385 -1.305 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC001342735251 917789247 /nfs/dbraw/zinc/78/92/47/917789247.db2.gz UJHRLDDSTCUHLL-OUAUKWLOSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC001342735251 917789258 /nfs/dbraw/zinc/78/92/58/917789258.db2.gz UJHRLDDSTCUHLL-OUAUKWLOSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)N(C)C ZINC001342734815 917789453 /nfs/dbraw/zinc/78/94/53/917789453.db2.gz OJQZXKPJUPSUQX-QWRGUYRKSA-N 1 1 313.402 -2.059 20 0 DAADMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC001343111226 917794613 /nfs/dbraw/zinc/79/46/13/917794613.db2.gz PJLZYRFMKPSWBF-UHFFFAOYSA-N 1 1 308.342 -1.529 20 0 DAADMO C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(C)(C)O ZINC001343199099 917796678 /nfs/dbraw/zinc/79/66/78/917796678.db2.gz HUDARWKFZIMVDG-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001343272091 917799159 /nfs/dbraw/zinc/79/91/59/917799159.db2.gz SELFWGFZOPPUAJ-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001343272091 917799168 /nfs/dbraw/zinc/79/91/68/917799168.db2.gz SELFWGFZOPPUAJ-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001343272065 917801029 /nfs/dbraw/zinc/80/10/29/917801029.db2.gz RJFANJGBENRGMA-AXFHLTTASA-N 1 1 312.370 -1.966 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC001343309619 917803643 /nfs/dbraw/zinc/80/36/43/917803643.db2.gz BZAHIGMEGQKACK-JTQLQIEISA-N 1 1 322.369 -1.534 20 0 DAADMO COCC[NH2+]C1CCN(C(=O)C2CNCCS2(=O)=O)CC1 ZINC001343920737 917818355 /nfs/dbraw/zinc/81/83/55/917818355.db2.gz YGMNINFAPXBATJ-LBPRGKRZSA-N 1 1 319.427 -1.400 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001344549559 917829520 /nfs/dbraw/zinc/82/95/20/917829520.db2.gz PUQGZUOFOXTESS-RKDXNWHRSA-N 1 1 304.372 -1.703 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001344549559 917829534 /nfs/dbraw/zinc/82/95/34/917829534.db2.gz PUQGZUOFOXTESS-RKDXNWHRSA-N 1 1 304.372 -1.703 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116279 917835946 /nfs/dbraw/zinc/83/59/46/917835946.db2.gz GCSHWRGTOPZPMI-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC001345206635 917837793 /nfs/dbraw/zinc/83/77/93/917837793.db2.gz XHVCFKKMKXENOG-ZJUUUORDSA-N 1 1 307.358 -1.431 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CCO ZINC001345288645 917841499 /nfs/dbraw/zinc/84/14/99/917841499.db2.gz QQDNGXQORYDYDD-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001345497664 917848383 /nfs/dbraw/zinc/84/83/83/917848383.db2.gz QEANWLXQTWTZNJ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001345497664 917848397 /nfs/dbraw/zinc/84/83/97/917848397.db2.gz QEANWLXQTWTZNJ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001345619699 917849910 /nfs/dbraw/zinc/84/99/10/917849910.db2.gz UORKBOBBUDGNDO-LBPRGKRZSA-N 1 1 308.448 -1.924 20 0 DAADMO Cn1nnnc1C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001345649109 917850964 /nfs/dbraw/zinc/85/09/64/917850964.db2.gz AVGSWNBJIAAYKW-LLVKDONJSA-N 1 1 321.385 -1.264 20 0 DAADMO Cn1nnnc1C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001345649109 917850975 /nfs/dbraw/zinc/85/09/75/917850975.db2.gz AVGSWNBJIAAYKW-LLVKDONJSA-N 1 1 321.385 -1.264 20 0 DAADMO Cn1nnnc1C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001345649110 917851529 /nfs/dbraw/zinc/85/15/29/917851529.db2.gz AVGSWNBJIAAYKW-NSHDSACASA-N 1 1 321.385 -1.264 20 0 DAADMO Cn1nnnc1C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001345649110 917851538 /nfs/dbraw/zinc/85/15/38/917851538.db2.gz AVGSWNBJIAAYKW-NSHDSACASA-N 1 1 321.385 -1.264 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001346096289 917868460 /nfs/dbraw/zinc/86/84/60/917868460.db2.gz RMTXLWRYSOXZOB-MNOVXSKESA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346096289 917868480 /nfs/dbraw/zinc/86/84/80/917868480.db2.gz RMTXLWRYSOXZOB-MNOVXSKESA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001346096289 917868493 /nfs/dbraw/zinc/86/84/93/917868493.db2.gz RMTXLWRYSOXZOB-MNOVXSKESA-N 1 1 321.447 -1.531 20 0 DAADMO O=C(NCCn1cncn1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC001346105865 917869713 /nfs/dbraw/zinc/86/97/13/917869713.db2.gz SWGYHKIGIVKLMU-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO COCCOCC[NH+]1CCN(CCC(=O)NC(N)=O)CC1 ZINC001346126131 917871387 /nfs/dbraw/zinc/87/13/87/917871387.db2.gz JNDPPNVJDIFLQI-UHFFFAOYSA-N 1 1 302.375 -1.148 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC[N@H+]1C ZINC001346277688 917879101 /nfs/dbraw/zinc/87/91/01/917879101.db2.gz REBBTFSUUFXERG-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001346277557 917879911 /nfs/dbraw/zinc/87/99/11/917879911.db2.gz PZIGFEVQODGCDT-GFCCVEGCSA-N 1 1 313.402 -2.009 20 0 DAADMO COc1cncnc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346465160 917888852 /nfs/dbraw/zinc/88/88/52/917888852.db2.gz XOBBIOZCDIBWAR-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC001346523317 917891186 /nfs/dbraw/zinc/89/11/86/917891186.db2.gz VEARSMHRFBKURP-UHFFFAOYSA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCS(C)(=O)=O ZINC001346524542 917892868 /nfs/dbraw/zinc/89/28/68/917892868.db2.gz RYZPJMLTBXQCRZ-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCS(C)(=O)=O ZINC001346524544 917893222 /nfs/dbraw/zinc/89/32/22/917893222.db2.gz RYZPJMLTBXQCRZ-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCS(C)(=O)=O ZINC001346524543 917893267 /nfs/dbraw/zinc/89/32/67/917893267.db2.gz RYZPJMLTBXQCRZ-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO O=C1C[C@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C(=O)N1CCCO ZINC001346626069 917894804 /nfs/dbraw/zinc/89/48/04/917894804.db2.gz QXCTYJQQDAPOQJ-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001346926696 917901684 /nfs/dbraw/zinc/90/16/84/917901684.db2.gz OPULPZKSIRAUAB-CYBMUJFWSA-N 1 1 313.398 -1.115 20 0 DAADMO CN1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CCC1=O ZINC001347021326 917907556 /nfs/dbraw/zinc/90/75/56/917907556.db2.gz YUABYJLWFFOPPA-NEPJUHHUSA-N 1 1 308.382 -1.160 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H]1O ZINC001347205991 917911878 /nfs/dbraw/zinc/91/18/78/917911878.db2.gz RTEUZADLOSSCMR-RWMBFGLXSA-N 1 1 313.398 -1.043 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347141791 917912315 /nfs/dbraw/zinc/91/23/15/917912315.db2.gz XEFAFDQDIQAYMT-QWRGUYRKSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001347144394 917912737 /nfs/dbraw/zinc/91/27/37/917912737.db2.gz ZSYUPBKTDGGNOK-HOJOPBEUSA-N 1 1 320.393 -1.114 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC001347280824 917916541 /nfs/dbraw/zinc/91/65/41/917916541.db2.gz HDXIDNWJJYHXCA-LLVKDONJSA-N 1 1 324.403 -2.343 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1=O ZINC001347363848 917917675 /nfs/dbraw/zinc/91/76/75/917917675.db2.gz YVZMMCXWOFQNKI-UHFFFAOYSA-N 1 1 309.370 -1.661 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001347484575 917920516 /nfs/dbraw/zinc/92/05/16/917920516.db2.gz AQFNMGHRUKDWIF-BCUIYNNISA-N 1 1 323.393 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001347486395 917921019 /nfs/dbraw/zinc/92/10/19/917921019.db2.gz KNWPQQUUDPRQBY-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CCN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@@H+](C)C1 ZINC001347644084 917923914 /nfs/dbraw/zinc/92/39/14/917923914.db2.gz PAUDRODBBRWGIX-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+](C)CCOCCO ZINC001348131932 917928976 /nfs/dbraw/zinc/92/89/76/917928976.db2.gz MHLCWNSYOYMKIG-KGLIPLIRSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131932 917928986 /nfs/dbraw/zinc/92/89/86/917928986.db2.gz MHLCWNSYOYMKIG-KGLIPLIRSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131932 917929006 /nfs/dbraw/zinc/92/90/06/917929006.db2.gz MHLCWNSYOYMKIG-KGLIPLIRSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131932 917929019 /nfs/dbraw/zinc/92/90/19/917929019.db2.gz MHLCWNSYOYMKIG-KGLIPLIRSA-N 1 1 314.430 -1.568 20 0 DAADMO COc1nccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001348378004 917942239 /nfs/dbraw/zinc/94/22/39/917942239.db2.gz KTVTVTOVKYFFIE-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001348377398 917942897 /nfs/dbraw/zinc/94/28/97/917942897.db2.gz GODWPNGELUUSKE-GFCCVEGCSA-N 1 1 324.381 -1.062 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001348424159 917943863 /nfs/dbraw/zinc/94/38/63/917943863.db2.gz YVNFOIWEIISPJW-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001348409806 917945359 /nfs/dbraw/zinc/94/53/59/917945359.db2.gz NTXCBXMWWPKDMC-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001348409806 917945371 /nfs/dbraw/zinc/94/53/71/917945371.db2.gz NTXCBXMWWPKDMC-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO C[C@@]1(CCCC(=O)NCC[N@H+]2CC[C@H](O)C2)NC(=O)NC1=O ZINC001348459713 917948465 /nfs/dbraw/zinc/94/84/65/917948465.db2.gz VXHSDHQHUQOVJA-HZMBPMFUSA-N 1 1 312.370 -1.062 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001348485053 917949603 /nfs/dbraw/zinc/94/96/03/917949603.db2.gz NMHNMLKFHXQVIE-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001348485054 917950272 /nfs/dbraw/zinc/95/02/72/917950272.db2.gz NMHNMLKFHXQVIE-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cnn(C)c2)C1 ZINC001348615001 917959091 /nfs/dbraw/zinc/95/90/91/917959091.db2.gz KREMUZZTKHLWQD-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cnn(C)c2)C1 ZINC001348615001 917959101 /nfs/dbraw/zinc/95/91/01/917959101.db2.gz KREMUZZTKHLWQD-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)ncc1=O ZINC001348648582 917961796 /nfs/dbraw/zinc/96/17/96/917961796.db2.gz VWEHJJJWWQKYIX-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C(=O)NCC(F)F ZINC001348648147 917962276 /nfs/dbraw/zinc/96/22/76/917962276.db2.gz JKUYGEDXHXRHEY-MRVPVSSYSA-N 1 1 306.313 -1.306 20 0 DAADMO Cc1c(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001348702426 917964012 /nfs/dbraw/zinc/96/40/12/917964012.db2.gz ZMIQDZIEZKIKQI-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO Cc1c(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001348702426 917964020 /nfs/dbraw/zinc/96/40/20/917964020.db2.gz ZMIQDZIEZKIKQI-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nnn(C)c2C)C1 ZINC001348701003 917964585 /nfs/dbraw/zinc/96/45/85/917964585.db2.gz MIHRVWVSZWKASD-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nnn(C)c2C)C1 ZINC001348701003 917964608 /nfs/dbraw/zinc/96/46/08/917964608.db2.gz MIHRVWVSZWKASD-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001348701105 917967081 /nfs/dbraw/zinc/96/70/81/917967081.db2.gz NCILACMWYXSBKN-NSHDSACASA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001348701105 917967093 /nfs/dbraw/zinc/96/70/93/917967093.db2.gz NCILACMWYXSBKN-NSHDSACASA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1nc(CC(=O)NCCNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001348934390 917981771 /nfs/dbraw/zinc/98/17/71/917981771.db2.gz GCONEGCYUABNGK-UHFFFAOYSA-N 1 1 306.370 -1.016 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccn(CCF)n1 ZINC001348910599 917982331 /nfs/dbraw/zinc/98/23/31/917982331.db2.gz JGDWXYLEFNZTKZ-SNVBAGLBSA-N 1 1 313.333 -1.026 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)CC1 ZINC001348971873 917984523 /nfs/dbraw/zinc/98/45/23/917984523.db2.gz GUJGGGJANRGQEG-LBPRGKRZSA-N 1 1 305.444 -1.239 20 0 DAADMO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001348958556 917984945 /nfs/dbraw/zinc/98/49/45/917984945.db2.gz VGGJRVUUEBDEIL-ZDUSSCGKSA-N 1 1 322.475 -1.488 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001349024145 917986219 /nfs/dbraw/zinc/98/62/19/917986219.db2.gz LNEJCWZVNVYNIZ-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001349030774 917987100 /nfs/dbraw/zinc/98/71/00/917987100.db2.gz ZGSGWVFQXSAXPN-SNVBAGLBSA-N 1 1 307.354 -1.422 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001349028343 917987403 /nfs/dbraw/zinc/98/74/03/917987403.db2.gz AHICIJWNLSSZHU-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)CS(=O)(=O)NC ZINC001349050063 917989785 /nfs/dbraw/zinc/98/97/85/917989785.db2.gz SYFMESKPSZAYBM-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCNCC1)C2=O ZINC001349110784 917996003 /nfs/dbraw/zinc/99/60/03/917996003.db2.gz GAJBYMXISWYUCE-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349243029 918005892 /nfs/dbraw/zinc/00/58/92/918005892.db2.gz ADZQHODUYIPFLE-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001349286954 918008072 /nfs/dbraw/zinc/00/80/72/918008072.db2.gz DASQOEDAJZNBHH-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001349301833 918012266 /nfs/dbraw/zinc/01/22/66/918012266.db2.gz OIVXMNHHNUIDBT-UWVGGRQHSA-N 1 1 307.358 -1.621 20 0 DAADMO CC1(C)NC(=O)N(Cc2noc(CN3CC[NH2+]CC3=O)n2)C1=O ZINC001349331311 918013580 /nfs/dbraw/zinc/01/35/80/918013580.db2.gz QKLZHWAGNWQZQH-UHFFFAOYSA-N 1 1 322.325 -1.168 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)NC1=O ZINC001349379521 918014749 /nfs/dbraw/zinc/01/47/49/918014749.db2.gz PKAHHBVSGUFTPP-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)O1 ZINC001349498157 918022034 /nfs/dbraw/zinc/02/20/34/918022034.db2.gz WNHSHYSAQDUFKW-UJPOAAIJSA-N 1 1 311.382 -1.054 20 0 DAADMO CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCNC1=O ZINC001349855522 918040243 /nfs/dbraw/zinc/04/02/43/918040243.db2.gz HUAJJBSOKKVQDS-TUAOUCFPSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)N(C)C ZINC001349849102 918040833 /nfs/dbraw/zinc/04/08/33/918040833.db2.gz ZAEOXBQEKIYIMX-QWRGUYRKSA-N 1 1 319.431 -2.113 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCn2ncnc2C1 ZINC001349850277 918041383 /nfs/dbraw/zinc/04/13/83/918041383.db2.gz BSGVSOLIWOQVSG-WDEREUQCSA-N 1 1 320.353 -2.102 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001350069000 918050367 /nfs/dbraw/zinc/05/03/67/918050367.db2.gz GUNWGOFRGMQVES-SNVBAGLBSA-N 1 1 324.381 -1.387 20 0 DAADMO C[N@@H+](CC(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC001350194477 918051759 /nfs/dbraw/zinc/05/17/59/918051759.db2.gz YCARULQXCBDKMP-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CCN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001350281502 918057211 /nfs/dbraw/zinc/05/72/11/918057211.db2.gz PIDMWLHOTVSHJE-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)c2nnn(C)n2)C1 ZINC001350364389 918059848 /nfs/dbraw/zinc/05/98/48/918059848.db2.gz SCCLDXGMYQBCCK-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001350535827 918065845 /nfs/dbraw/zinc/06/58/45/918065845.db2.gz PIISOPMFKKYIPG-DCAQKATOSA-N 1 1 317.411 -1.111 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001350535827 918065863 /nfs/dbraw/zinc/06/58/63/918065863.db2.gz PIISOPMFKKYIPG-DCAQKATOSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC001350823418 918075267 /nfs/dbraw/zinc/07/52/67/918075267.db2.gz SEORDWIJCRGFRD-NWJSVONSSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001350823418 918075281 /nfs/dbraw/zinc/07/52/81/918075281.db2.gz SEORDWIJCRGFRD-NWJSVONSSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1C[N@H+](C)CCO1 ZINC001350823358 918076739 /nfs/dbraw/zinc/07/67/39/918076739.db2.gz RLXUBGBTSFONSS-CMPLNLGQSA-N 1 1 324.385 -1.391 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC001350823358 918076751 /nfs/dbraw/zinc/07/67/51/918076751.db2.gz RLXUBGBTSFONSS-CMPLNLGQSA-N 1 1 324.385 -1.391 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(O)(COCCO)CC1 ZINC001350927547 918078943 /nfs/dbraw/zinc/07/89/43/918078943.db2.gz UGHZWDASWYEPLX-JSGCOSHPSA-N 1 1 316.398 -1.196 20 0 DAADMO COCCOC[C@H](O)C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC001351372296 918089497 /nfs/dbraw/zinc/08/94/97/918089497.db2.gz KODSHSMDRAPADM-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001351604770 918100982 /nfs/dbraw/zinc/10/09/82/918100982.db2.gz KFBRKFIUBRNNTC-NSHDSACASA-N 1 1 322.365 -1.185 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNC(=O)CC3)CC[C@H]21 ZINC001351836368 918109867 /nfs/dbraw/zinc/10/98/67/918109867.db2.gz PKKDGDPKVPXSLC-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC001351970147 918115011 /nfs/dbraw/zinc/11/50/11/918115011.db2.gz MKXYGHTYQLTXJE-UHFFFAOYSA-N 1 1 313.354 -1.715 20 0 DAADMO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001352825797 918132261 /nfs/dbraw/zinc/13/22/61/918132261.db2.gz RSWXEOXVZQDMIA-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001352825797 918132269 /nfs/dbraw/zinc/13/22/69/918132269.db2.gz RSWXEOXVZQDMIA-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)N1C(=O)CCC1=O ZINC001352910830 918134347 /nfs/dbraw/zinc/13/43/47/918134347.db2.gz QZOAVMSKIKILTK-LLVKDONJSA-N 1 1 308.382 -1.018 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)/C=C\CN2CCOCC2)CC1 ZINC001353203195 918146964 /nfs/dbraw/zinc/14/69/64/918146964.db2.gz CASPESNILMBPSA-IHWYPQMZSA-N 1 1 310.398 -1.235 20 0 DAADMO O=C(C[NH+]1CCC(O)(COCCO)CC1)N1CCOCC1 ZINC001353354358 918150640 /nfs/dbraw/zinc/15/06/40/918150640.db2.gz OSVPNSRNQNTSFE-UHFFFAOYSA-N 1 1 302.371 -1.319 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC001353367475 918151057 /nfs/dbraw/zinc/15/10/57/918151057.db2.gz OUXMAVJZLVQWHV-NSHDSACASA-N 1 1 322.369 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001354097035 918165476 /nfs/dbraw/zinc/16/54/76/918165476.db2.gz VYMCBHWNYXUUSX-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001354310640 918172025 /nfs/dbraw/zinc/17/20/25/918172025.db2.gz KFZLRIUTIDUVBP-MRVPVSSYSA-N 1 1 311.342 -1.154 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449421 918175335 /nfs/dbraw/zinc/17/53/35/918175335.db2.gz YVABCLJKKRWQBK-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449421 918175348 /nfs/dbraw/zinc/17/53/48/918175348.db2.gz YVABCLJKKRWQBK-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCO3)C[C@]2(C)C1 ZINC001354419988 918175584 /nfs/dbraw/zinc/17/55/84/918175584.db2.gz XUGMWNBMQCACDV-JMSVASOKSA-N 1 1 311.382 -1.072 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449428 918176334 /nfs/dbraw/zinc/17/63/34/918176334.db2.gz YVABCLJKKRWQBK-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449428 918176342 /nfs/dbraw/zinc/17/63/42/918176342.db2.gz YVABCLJKKRWQBK-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCO3)C[C@]2(C)C1 ZINC001354419989 918176720 /nfs/dbraw/zinc/17/67/20/918176720.db2.gz XUGMWNBMQCACDV-XUJVJEKNSA-N 1 1 311.382 -1.072 20 0 DAADMO O=C(NCC[C@@H]1CNC(=O)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001354559990 918182376 /nfs/dbraw/zinc/18/23/76/918182376.db2.gz XFBCSZWQWNBDOU-QWRGUYRKSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[C@H]1CNC(=O)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001354559988 918182605 /nfs/dbraw/zinc/18/26/05/918182605.db2.gz XFBCSZWQWNBDOU-MNOVXSKESA-N 1 1 308.382 -1.018 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)CC2 ZINC001354671744 918184607 /nfs/dbraw/zinc/18/46/07/918184607.db2.gz CSGRWTVAJHCFEZ-PSASIEDQSA-N 1 1 307.354 -1.140 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)CC2 ZINC001354671752 918185057 /nfs/dbraw/zinc/18/50/57/918185057.db2.gz CSGRWTVAJHCFEZ-SCZZXKLOSA-N 1 1 307.354 -1.140 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)CC2 ZINC001354671756 918185166 /nfs/dbraw/zinc/18/51/66/918185166.db2.gz CSGRWTVAJHCFEZ-WPRPVWTQSA-N 1 1 307.354 -1.140 20 0 DAADMO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354751804 918190336 /nfs/dbraw/zinc/19/03/36/918190336.db2.gz QOVGHKHYQPJXIF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354751804 918190347 /nfs/dbraw/zinc/19/03/47/918190347.db2.gz QOVGHKHYQPJXIF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354751798 918190449 /nfs/dbraw/zinc/19/04/49/918190449.db2.gz QOVGHKHYQPJXIF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354751798 918190459 /nfs/dbraw/zinc/19/04/59/918190459.db2.gz QOVGHKHYQPJXIF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354915563 918192691 /nfs/dbraw/zinc/19/26/91/918192691.db2.gz RATVJBCTKDWULK-OUAUKWLOSA-N 1 1 313.354 -1.811 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354915563 918192704 /nfs/dbraw/zinc/19/27/04/918192704.db2.gz RATVJBCTKDWULK-OUAUKWLOSA-N 1 1 313.354 -1.811 20 0 DAADMO CONC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001354914729 918193891 /nfs/dbraw/zinc/19/38/91/918193891.db2.gz JZKBAAYNNWVFCI-LLVKDONJSA-N 1 1 312.370 -1.277 20 0 DAADMO CONC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001354914729 918193908 /nfs/dbraw/zinc/19/39/08/918193908.db2.gz JZKBAAYNNWVFCI-LLVKDONJSA-N 1 1 312.370 -1.277 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001354974876 918195642 /nfs/dbraw/zinc/19/56/42/918195642.db2.gz STOQSIHXICKEPA-SNVBAGLBSA-N 1 1 310.354 -1.681 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2CCN(C)CC[N@H+](C)CC2)n1 ZINC001355158458 918199442 /nfs/dbraw/zinc/19/94/42/918199442.db2.gz MCJPRZNDYDWILB-UHFFFAOYSA-N 1 1 322.417 -1.161 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)n1 ZINC001355158458 918199453 /nfs/dbraw/zinc/19/94/53/918199453.db2.gz MCJPRZNDYDWILB-UHFFFAOYSA-N 1 1 322.417 -1.161 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(C)(C)C(N)=O ZINC001355535544 918205313 /nfs/dbraw/zinc/20/53/13/918205313.db2.gz LEZSOVXMHHZQPO-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(C)(C)C(N)=O ZINC001355535544 918205324 /nfs/dbraw/zinc/20/53/24/918205324.db2.gz LEZSOVXMHHZQPO-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCC(F)F ZINC001355614816 918207493 /nfs/dbraw/zinc/20/74/93/918207493.db2.gz MXEDSSFJNLDMGL-VIFPVBQESA-N 1 1 320.340 -1.106 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC(=O)NC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001355741961 918209975 /nfs/dbraw/zinc/20/99/75/918209975.db2.gz AKSKAOMERQNHTA-MNOVXSKESA-N 1 1 324.381 -1.435 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCNC(=O)C(N)=O)C2 ZINC001355866026 918211830 /nfs/dbraw/zinc/21/18/30/918211830.db2.gz ILDRVLMBERJQPO-JTQLQIEISA-N 1 1 307.354 -1.186 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)C(N)=O)C1 ZINC001355869688 918214341 /nfs/dbraw/zinc/21/43/41/918214341.db2.gz OLNINBSBAOCEQF-JTQLQIEISA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001356120269 918217263 /nfs/dbraw/zinc/21/72/63/918217263.db2.gz VJLLIJNDBWGAHP-SECBINFHSA-N 1 1 303.384 -1.500 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001356120269 918217272 /nfs/dbraw/zinc/21/72/72/918217272.db2.gz VJLLIJNDBWGAHP-SECBINFHSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891977 918261773 /nfs/dbraw/zinc/26/17/73/918261773.db2.gz GSIWWPDMKYIQMR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891977 918261783 /nfs/dbraw/zinc/26/17/83/918261783.db2.gz GSIWWPDMKYIQMR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099421 918273471 /nfs/dbraw/zinc/27/34/71/918273471.db2.gz AVPIXAGGWFZHIX-MNOVXSKESA-N 1 1 314.386 -1.551 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099421 918273486 /nfs/dbraw/zinc/27/34/86/918273486.db2.gz AVPIXAGGWFZHIX-MNOVXSKESA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O)C1 ZINC001357400509 918285695 /nfs/dbraw/zinc/28/56/95/918285695.db2.gz STKYRAFGKZFQJA-ZJUUUORDSA-N 1 1 300.359 -2.203 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357400537 918286226 /nfs/dbraw/zinc/28/62/26/918286226.db2.gz UFWNXXMYOUYZAF-WDEREUQCSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357399296 918286389 /nfs/dbraw/zinc/28/63/89/918286389.db2.gz HHSSKZAAAJAGFE-ZJUUUORDSA-N 1 1 300.359 -2.061 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001357672867 918300380 /nfs/dbraw/zinc/30/03/80/918300380.db2.gz QJMKODXJUYQNOO-FSIBCCDJSA-N 1 1 307.358 -1.294 20 0 DAADMO Cn1nnnc1CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001357752454 918303432 /nfs/dbraw/zinc/30/34/32/918303432.db2.gz VQUMKDBZMWHUNF-LLVKDONJSA-N 1 1 310.406 -1.312 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697417 918304235 /nfs/dbraw/zinc/30/42/35/918304235.db2.gz VJACFXLYJWSOBU-ZZVHHRJTSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697417 918304259 /nfs/dbraw/zinc/30/42/59/918304259.db2.gz VJACFXLYJWSOBU-ZZVHHRJTSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697404 918304728 /nfs/dbraw/zinc/30/47/28/918304728.db2.gz VJACFXLYJWSOBU-KRURLVKSSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697404 918304744 /nfs/dbraw/zinc/30/47/44/918304744.db2.gz VJACFXLYJWSOBU-KRURLVKSSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001358663818 918340400 /nfs/dbraw/zinc/34/04/00/918340400.db2.gz UNLIXLSAZULXOB-WDEREUQCSA-N 1 1 308.382 -1.161 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2(NC(=O)CC(N)=O)CC2)no1 ZINC001358674433 918341782 /nfs/dbraw/zinc/34/17/82/918341782.db2.gz DFWHTYDAIHLCBS-UHFFFAOYSA-N 1 1 323.353 -1.010 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CO)C(=O)OC)C1 ZINC001361622397 918385701 /nfs/dbraw/zinc/38/57/01/918385701.db2.gz FDEXRZFFOZGPSH-MNOVXSKESA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](CO)C(=O)OC)C1 ZINC001361622397 918385720 /nfs/dbraw/zinc/38/57/20/918385720.db2.gz FDEXRZFFOZGPSH-MNOVXSKESA-N 1 1 316.354 -1.088 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001361742550 918399958 /nfs/dbraw/zinc/39/99/58/918399958.db2.gz UIALYDYQEDEDIU-MNOVXSKESA-N 1 1 300.359 -1.661 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCCN(CC(N)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361793462 918407689 /nfs/dbraw/zinc/40/76/89/918407689.db2.gz JBZAIHHVCUERMU-JHJVBQTASA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001361832053 918415795 /nfs/dbraw/zinc/41/57/95/918415795.db2.gz GINLVRCBSGPWRY-MNOVXSKESA-N 1 1 324.389 -2.460 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001361857806 918418259 /nfs/dbraw/zinc/41/82/59/918418259.db2.gz XFNZWRXJPQUIQM-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001361857806 918418261 /nfs/dbraw/zinc/41/82/61/918418261.db2.gz XFNZWRXJPQUIQM-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)nn1 ZINC001361934559 918427556 /nfs/dbraw/zinc/42/75/56/918427556.db2.gz RBAQKJMESRABLV-LLVKDONJSA-N 1 1 322.369 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)[N@@H+](C)C1CC1 ZINC001362017946 918438717 /nfs/dbraw/zinc/43/87/17/918438717.db2.gz DRKQCDNDTJLWJA-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001362020703 918439549 /nfs/dbraw/zinc/43/95/49/918439549.db2.gz XRSVZGQVHOVXPP-VIFPVBQESA-N 1 1 319.383 -2.528 20 0 DAADMO CNC(=O)CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001362025893 918442252 /nfs/dbraw/zinc/44/22/52/918442252.db2.gz AOXCRRMMHHVLOQ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001362057771 918446835 /nfs/dbraw/zinc/44/68/35/918446835.db2.gz IGBMYJGFXNOOSG-WOPDTQHZSA-N 1 1 321.385 -1.079 20 0 DAADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362066046 918449836 /nfs/dbraw/zinc/44/98/36/918449836.db2.gz LWERQZZZXTXAAO-NXEZZACHSA-N 1 1 316.358 -1.889 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(N)=O ZINC001362069206 918453107 /nfs/dbraw/zinc/45/31/07/918453107.db2.gz ZBJJGNCMEUDDIM-JQWIXIFHSA-N 1 1 313.402 -1.881 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001362077890 918453323 /nfs/dbraw/zinc/45/33/23/918453323.db2.gz LFCRXZNZOTZSQG-NEPJUHHUSA-N 1 1 314.386 -1.271 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CC2C(=O)N=CNC2=O)CC1 ZINC001362092880 918455420 /nfs/dbraw/zinc/45/54/20/918455420.db2.gz WSLJMBBYXUZECK-UHFFFAOYSA-N 1 1 323.353 -1.289 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CCC(=O)NC1=O ZINC001362135027 918463425 /nfs/dbraw/zinc/46/34/25/918463425.db2.gz OTZNPYOIOQQKOF-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO COC(=O)Cc1nc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)n[nH]1 ZINC001362163852 918469405 /nfs/dbraw/zinc/46/94/05/918469405.db2.gz WNSHGINYCBVJGV-IUCAKERBSA-N 1 1 308.342 -1.153 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001362171058 918471797 /nfs/dbraw/zinc/47/17/97/918471797.db2.gz FEDUWWAYDXLJKI-HBNTYKKESA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001362171048 918472698 /nfs/dbraw/zinc/47/26/98/918472698.db2.gz FEDUWWAYDXLJKI-AXFHLTTASA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001362188429 918474254 /nfs/dbraw/zinc/47/42/54/918474254.db2.gz VHNJQOKMVKKUSP-ZJUUUORDSA-N 1 1 304.416 -1.442 20 0 DAADMO C[C@H](NC(=O)c1nccnc1C(N)=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001362229214 918480112 /nfs/dbraw/zinc/48/01/12/918480112.db2.gz BFGFVWUGUWKRHK-UWVGGRQHSA-N 1 1 306.370 -1.060 20 0 DAADMO C[C@H](NC(=O)c1nccnc1C(N)=O)[C@H]1C[N@@H+](C)CCN1C ZINC001362229218 918480454 /nfs/dbraw/zinc/48/04/54/918480454.db2.gz BFGFVWUGUWKRHK-VHSXEESVSA-N 1 1 306.370 -1.060 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001362233131 918483594 /nfs/dbraw/zinc/48/35/94/918483594.db2.gz DXOCRZHRNUGRGB-HBNTYKKESA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC(=O)NCCN1CCOCC1 ZINC001362237899 918483982 /nfs/dbraw/zinc/48/39/82/918483982.db2.gz OWNCJNJIRDLRRR-UHFFFAOYSA-N 1 1 309.370 -1.244 20 0 DAADMO CCC[C@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@H+]1CCOC ZINC001362269695 918490267 /nfs/dbraw/zinc/49/02/67/918490267.db2.gz WHYONTHGONCKGZ-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO Nc1ncn(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001362279615 918490419 /nfs/dbraw/zinc/49/04/19/918490419.db2.gz VSEPCYQWWAGULU-GFCCVEGCSA-N 1 1 323.401 -1.617 20 0 DAADMO CCC[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@H+]1CCOC ZINC001362269686 918490691 /nfs/dbraw/zinc/49/06/91/918490691.db2.gz WHYONTHGONCKGZ-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001362367901 918505749 /nfs/dbraw/zinc/50/57/49/918505749.db2.gz NCYDYXLUSGKODO-GHMZBOCLSA-N 1 1 301.391 -1.842 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H](C)[N@@H+]1CCO ZINC001362451185 918524395 /nfs/dbraw/zinc/52/43/95/918524395.db2.gz PDOSGNDDIKHXCU-PHIMTYICSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001362456971 918524527 /nfs/dbraw/zinc/52/45/27/918524527.db2.gz ZVOUDMUXBBTWMQ-CHWSQXEVSA-N 1 1 320.411 -1.501 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001362487991 918532713 /nfs/dbraw/zinc/53/27/13/918532713.db2.gz FWLCQWAAIFUFPN-LBPRGKRZSA-N 1 1 316.383 -1.296 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001362510830 918535019 /nfs/dbraw/zinc/53/50/19/918535019.db2.gz QZQUBGZTDHSDDX-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(O)COC2)CC1=O ZINC001362512930 918535213 /nfs/dbraw/zinc/53/52/13/918535213.db2.gz AJMRIYHMKUCECH-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(O)COC2)CC1=O ZINC001362512936 918537873 /nfs/dbraw/zinc/53/78/73/918537873.db2.gz AJMRIYHMKUCECH-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001362542847 918544123 /nfs/dbraw/zinc/54/41/23/918544123.db2.gz PRPDFIYTSQLAPP-SNVBAGLBSA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001362542847 918544134 /nfs/dbraw/zinc/54/41/34/918544134.db2.gz PRPDFIYTSQLAPP-SNVBAGLBSA-N 1 1 300.359 -2.236 20 0 DAADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2nnc(N)n2)CC1 ZINC001362618223 918562163 /nfs/dbraw/zinc/56/21/63/918562163.db2.gz ROEYKLKYOYPECT-UHFFFAOYSA-N 1 1 310.406 -1.212 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001362626440 918562937 /nfs/dbraw/zinc/56/29/37/918562937.db2.gz DYVFEFSMLARHIJ-JGVFFNPUSA-N 1 1 315.355 -2.052 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCCS(N)(=O)=O)[C@H](C)C1 ZINC001362684816 918577527 /nfs/dbraw/zinc/57/75/27/918577527.db2.gz IQBDOYVPNJOXKB-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001362696946 918579262 /nfs/dbraw/zinc/57/92/62/918579262.db2.gz XTQIFPYADFLZPK-OUAUKWLOSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001362696946 918579277 /nfs/dbraw/zinc/57/92/77/918579277.db2.gz XTQIFPYADFLZPK-OUAUKWLOSA-N 1 1 307.416 -1.162 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001362702612 918581643 /nfs/dbraw/zinc/58/16/43/918581643.db2.gz BSPDLZCWSDSLKH-STQMWFEESA-N 1 1 323.397 -1.153 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001362702609 918582548 /nfs/dbraw/zinc/58/25/48/918582548.db2.gz BSPDLZCWSDSLKH-OLZOCXBDSA-N 1 1 323.397 -1.153 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362772197 918600539 /nfs/dbraw/zinc/60/05/39/918600539.db2.gz GTXZMSATHUAABR-QMTHXVAHSA-N 1 1 311.338 -1.135 20 0 DAADMO O=C(C[C@@H]1CCCS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001362771269 918600844 /nfs/dbraw/zinc/60/08/44/918600844.db2.gz CVOJAOOHFNNXRQ-AAEUAGOBSA-N 1 1 320.411 -1.332 20 0 DAADMO Cn1cc(C2=NO[C@@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)C2)cn1 ZINC001362773287 918601638 /nfs/dbraw/zinc/60/16/38/918601638.db2.gz IYLGOZFDTYSDIT-OCCSQVGLSA-N 1 1 323.353 -1.620 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1(n2cnnn2)CCCCC1 ZINC001362773366 918602349 /nfs/dbraw/zinc/60/23/49/918602349.db2.gz JGHQSHZPDVNWNJ-CYBMUJFWSA-N 1 1 324.385 -1.200 20 0 DAADMO CN(C)c1noc(CCC(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001362781236 918605611 /nfs/dbraw/zinc/60/56/11/918605611.db2.gz ZFTZOGUFBNCPNK-CYBMUJFWSA-N 1 1 313.358 -1.465 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@@H+](C)C1 ZINC001362787022 918608096 /nfs/dbraw/zinc/60/80/96/918608096.db2.gz LOJMDXDWKJKKMP-RKDXNWHRSA-N 1 1 302.331 -2.421 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cc2nc[nH]n2)CC1=O ZINC001362802434 918610494 /nfs/dbraw/zinc/61/04/94/918610494.db2.gz ZZPGLLOJDQNGSM-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2nnc[nH]2)CC1=O ZINC001362802434 918610507 /nfs/dbraw/zinc/61/05/07/918610507.db2.gz ZZPGLLOJDQNGSM-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cc2nc[nH]n2)CC1=O ZINC001362802432 918611223 /nfs/dbraw/zinc/61/12/23/918611223.db2.gz ZZPGLLOJDQNGSM-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2nnc[nH]2)CC1=O ZINC001362802432 918611227 /nfs/dbraw/zinc/61/12/27/918611227.db2.gz ZZPGLLOJDQNGSM-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H](O)C(N)=O)CC1 ZINC001362823942 918615841 /nfs/dbraw/zinc/61/58/41/918615841.db2.gz DJBLRNZAYHNVKL-NSHDSACASA-N 1 1 309.370 -1.406 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001362846756 918624347 /nfs/dbraw/zinc/62/43/47/918624347.db2.gz BBNRRONSMYXEPV-SECBINFHSA-N 1 1 306.326 -1.293 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001362846756 918624357 /nfs/dbraw/zinc/62/43/57/918624357.db2.gz BBNRRONSMYXEPV-SECBINFHSA-N 1 1 306.326 -1.293 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362848360 918624794 /nfs/dbraw/zinc/62/47/94/918624794.db2.gz NRJQIWPEJPDOBL-NXEZZACHSA-N 1 1 305.338 -1.143 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362844524 918625096 /nfs/dbraw/zinc/62/50/96/918625096.db2.gz MMDJKZNWVUXGJV-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362872890 918632049 /nfs/dbraw/zinc/63/20/49/918632049.db2.gz KUUULYOOSCSGSS-MNOVXSKESA-N 1 1 305.400 -1.277 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCS(N)(=O)=O ZINC001362901165 918636777 /nfs/dbraw/zinc/63/67/77/918636777.db2.gz HZASOMQBZDVXJA-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001362906115 918639476 /nfs/dbraw/zinc/63/94/76/918639476.db2.gz AUIZIKVQWFEAQF-VIFPVBQESA-N 1 1 308.342 -1.989 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001362906115 918639486 /nfs/dbraw/zinc/63/94/86/918639486.db2.gz AUIZIKVQWFEAQF-VIFPVBQESA-N 1 1 308.342 -1.989 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCNS(C)(=O)=O ZINC001362904128 918639742 /nfs/dbraw/zinc/63/97/42/918639742.db2.gz NELZLCWTYTXXKS-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001362906106 918639991 /nfs/dbraw/zinc/63/99/91/918639991.db2.gz AUIZIKVQWFEAQF-SECBINFHSA-N 1 1 308.342 -1.989 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001362906106 918639999 /nfs/dbraw/zinc/63/99/99/918639999.db2.gz AUIZIKVQWFEAQF-SECBINFHSA-N 1 1 308.342 -1.989 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001363023125 918671267 /nfs/dbraw/zinc/67/12/67/918671267.db2.gz JQNSXBYREMSCQU-PWSUYJOCSA-N 1 1 319.365 -1.340 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)[C@@H]1CCSC1 ZINC001363048668 918679648 /nfs/dbraw/zinc/67/96/48/918679648.db2.gz MAAZFRVHHYBPTH-UTLUCORTSA-N 1 1 314.411 -1.531 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001363081828 918687290 /nfs/dbraw/zinc/68/72/90/918687290.db2.gz GCGWYIGUBLMSSI-UHFFFAOYSA-N 1 1 309.330 -2.733 20 0 DAADMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001363149120 918705219 /nfs/dbraw/zinc/70/52/19/918705219.db2.gz YQJXERCAEZATSK-JQWIXIFHSA-N 1 1 314.386 -1.273 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=C2CCCN=C2NN1 ZINC001363163596 918708508 /nfs/dbraw/zinc/70/85/08/918708508.db2.gz VWFRRTPMEFPEBF-UHFFFAOYSA-N 1 1 320.397 -1.227 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001363170560 918710963 /nfs/dbraw/zinc/71/09/63/918710963.db2.gz JLRADQDJPDUXSM-WFASDCNBSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001363177528 918713901 /nfs/dbraw/zinc/71/39/01/918713901.db2.gz PFDQRPUIBYUVMR-TVQRCGJNSA-N 1 1 311.342 -1.987 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001363177507 918715391 /nfs/dbraw/zinc/71/53/91/918715391.db2.gz PFDQRPUIBYUVMR-NOZJJQNGSA-N 1 1 311.342 -1.987 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)Cc2cnc[nH]2)CC1=O ZINC001363199666 918720332 /nfs/dbraw/zinc/72/03/32/918720332.db2.gz XXIMPZHLWUZLHM-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1cc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001363201369 918720749 /nfs/dbraw/zinc/72/07/49/918720749.db2.gz MTMXUONPJKGHQQ-AWEZNQCLSA-N 1 1 310.354 -1.051 20 0 DAADMO C[C@@H]1CN(Cc2cc(=O)n3nc(N)[nH]c3n2)CC[N@H+]1CCO ZINC001363218373 918726397 /nfs/dbraw/zinc/72/63/97/918726397.db2.gz AWHKLZNTZONMFH-SECBINFHSA-N 1 1 307.358 -1.502 20 0 DAADMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC001363213571 918726682 /nfs/dbraw/zinc/72/66/82/918726682.db2.gz WLBJYBWQYJVCJV-MNOVXSKESA-N 1 1 308.400 -1.358 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001363248426 918734568 /nfs/dbraw/zinc/73/45/68/918734568.db2.gz JYPQZODNIMLHEN-VIFPVBQESA-N 1 1 308.342 -1.642 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001363248426 918734582 /nfs/dbraw/zinc/73/45/82/918734582.db2.gz JYPQZODNIMLHEN-VIFPVBQESA-N 1 1 308.342 -1.642 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363259575 918739312 /nfs/dbraw/zinc/73/93/12/918739312.db2.gz KMYZFXZISIAEHQ-NWDGAFQWSA-N 1 1 324.381 -1.375 20 0 DAADMO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260638 918739354 /nfs/dbraw/zinc/73/93/54/918739354.db2.gz XMKSVQLGHXHCJQ-ZJUUUORDSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260638 918739369 /nfs/dbraw/zinc/73/93/69/918739369.db2.gz XMKSVQLGHXHCJQ-ZJUUUORDSA-N 1 1 324.381 -1.201 20 0 DAADMO O=C(c1nc2n(n1)CCCN2)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363261713 918739917 /nfs/dbraw/zinc/73/99/17/918739917.db2.gz ZROUSTMUQVCWRY-WDEREUQCSA-N 1 1 306.370 -1.368 20 0 DAADMO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260620 918740529 /nfs/dbraw/zinc/74/05/29/918740529.db2.gz XMKSVQLGHXHCJQ-NXEZZACHSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260620 918740545 /nfs/dbraw/zinc/74/05/45/918740545.db2.gz XMKSVQLGHXHCJQ-NXEZZACHSA-N 1 1 324.381 -1.201 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001363272694 918741949 /nfs/dbraw/zinc/74/19/49/918741949.db2.gz LFAWZCUYMMFSNE-ZDUSSCGKSA-N 1 1 307.310 -1.256 20 0 DAADMO Cn1cc(-c2n[nH]cc2C(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC001363275100 918742068 /nfs/dbraw/zinc/74/20/68/918742068.db2.gz VCRLHADGDNFKIA-CQSZACIVSA-N 1 1 320.353 -1.109 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCC1 ZINC001363268828 918742592 /nfs/dbraw/zinc/74/25/92/918742592.db2.gz HKGRHSKEMLWRRB-LLVKDONJSA-N 1 1 306.384 -1.579 20 0 DAADMO NC(=O)COc1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001363269443 918742636 /nfs/dbraw/zinc/74/26/36/918742636.db2.gz IOJFOIZZIIHIPL-OAHLLOKOSA-N 1 1 323.349 -1.369 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCC1 ZINC001363268833 918742902 /nfs/dbraw/zinc/74/29/02/918742902.db2.gz HKGRHSKEMLWRRB-NSHDSACASA-N 1 1 306.384 -1.579 20 0 DAADMO O=C(CCNC(=O)c1ccco1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363269122 918743151 /nfs/dbraw/zinc/74/31/51/918743151.db2.gz ICMVEGPRMMIDDF-AWEZNQCLSA-N 1 1 311.338 -1.133 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCc2nncn2CC1 ZINC001363274965 918743687 /nfs/dbraw/zinc/74/36/87/918743687.db2.gz SQZZFYXJSLGYKV-SMDDNHRTSA-N 1 1 309.370 -1.302 20 0 DAADMO NC(=O)C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C1CCOCC1 ZINC001363291459 918748566 /nfs/dbraw/zinc/74/85/66/918748566.db2.gz ZOQCRWOHAZSPHM-TZMCWYRMSA-N 1 1 302.371 -1.145 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001363288629 918749880 /nfs/dbraw/zinc/74/98/80/918749880.db2.gz OXEGOIWAOGRISD-NSHDSACASA-N 1 1 312.370 -1.518 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001363288629 918749889 /nfs/dbraw/zinc/74/98/89/918749889.db2.gz OXEGOIWAOGRISD-NSHDSACASA-N 1 1 312.370 -1.518 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001363288783 918749915 /nfs/dbraw/zinc/74/99/15/918749915.db2.gz QFBMYIFVXUQHHH-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001363288783 918749928 /nfs/dbraw/zinc/74/99/28/918749928.db2.gz QFBMYIFVXUQHHH-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001363292511 918752761 /nfs/dbraw/zinc/75/27/61/918752761.db2.gz HITJNCJFZOAGHB-UWVGGRQHSA-N 1 1 302.327 -1.262 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001363292511 918752771 /nfs/dbraw/zinc/75/27/71/918752771.db2.gz HITJNCJFZOAGHB-UWVGGRQHSA-N 1 1 302.327 -1.262 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363305923 918754506 /nfs/dbraw/zinc/75/45/06/918754506.db2.gz ZEVQOEZCKUCOMF-DTORHVGOSA-N 1 1 314.342 -2.474 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001363323244 918759575 /nfs/dbraw/zinc/75/95/75/918759575.db2.gz DTZNTDGRHKGWQY-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001363323268 918759666 /nfs/dbraw/zinc/75/96/66/918759666.db2.gz DTZNTDGRHKGWQY-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001363323260 918759895 /nfs/dbraw/zinc/75/98/95/918759895.db2.gz DTZNTDGRHKGWQY-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC001363329616 918761150 /nfs/dbraw/zinc/76/11/50/918761150.db2.gz JYWMEAFLCWUNMD-GHMZBOCLSA-N 1 1 308.400 -1.429 20 0 DAADMO C[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)[NH+]1CCSCC1 ZINC001363325860 918761614 /nfs/dbraw/zinc/76/16/14/918761614.db2.gz YULMADOVXCGCDN-OPRDCNLKSA-N 1 1 314.411 -1.531 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC001363329649 918762092 /nfs/dbraw/zinc/76/20/92/918762092.db2.gz JYWMEAFLCWUNMD-WDEREUQCSA-N 1 1 308.400 -1.429 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](CO)C1 ZINC001363329559 918762211 /nfs/dbraw/zinc/76/22/11/918762211.db2.gz PXNBABJMOPDNET-VIFPVBQESA-N 1 1 321.341 -1.078 20 0 DAADMO C[N@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](CO)C1 ZINC001363329559 918762222 /nfs/dbraw/zinc/76/22/22/918762222.db2.gz PXNBABJMOPDNET-VIFPVBQESA-N 1 1 321.341 -1.078 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@H+](C)C1 ZINC001363363526 918768333 /nfs/dbraw/zinc/76/83/33/918768333.db2.gz PITBEGCDFAFNCT-SECBINFHSA-N 1 1 324.341 -2.060 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+](C)C1 ZINC001363363526 918768348 /nfs/dbraw/zinc/76/83/48/918768348.db2.gz PITBEGCDFAFNCT-SECBINFHSA-N 1 1 324.341 -2.060 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001363383826 918772939 /nfs/dbraw/zinc/77/29/39/918772939.db2.gz FTFMRUYKQBFNSO-LALPHHSUSA-N 1 1 311.382 -1.051 20 0 DAADMO NS(=O)(=O)NC1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001363407094 918779332 /nfs/dbraw/zinc/77/93/32/918779332.db2.gz YSWWLVPJVUPXJB-UHFFFAOYSA-N 1 1 322.350 -1.115 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC001363413825 918782647 /nfs/dbraw/zinc/78/26/47/918782647.db2.gz UXJJIOCHXUOXPI-JTQLQIEISA-N 1 1 313.354 -1.680 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC001363413825 918782664 /nfs/dbraw/zinc/78/26/64/918782664.db2.gz UXJJIOCHXUOXPI-JTQLQIEISA-N 1 1 313.354 -1.680 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCCn2ccc(=O)[nH]c2=O)C1 ZINC001363428943 918785242 /nfs/dbraw/zinc/78/52/42/918785242.db2.gz BUJJAUIGRDTZKG-AWEZNQCLSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCS(=O)(=O)N(C)C ZINC001363438202 918787175 /nfs/dbraw/zinc/78/71/75/918787175.db2.gz BFBWPOKOVDNMCP-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCS(=O)(=O)N(C)C ZINC001363438202 918787190 /nfs/dbraw/zinc/78/71/90/918787190.db2.gz BFBWPOKOVDNMCP-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001363446467 918790842 /nfs/dbraw/zinc/79/08/42/918790842.db2.gz ALXVBWQPTGOBSM-JTQLQIEISA-N 1 1 324.337 -1.488 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1nnc2n1CCNC2=O ZINC001363492966 918803144 /nfs/dbraw/zinc/80/31/44/918803144.db2.gz LIBFIKYLLZGOIT-XPTSAGLGSA-N 1 1 322.369 -1.865 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H]1CO ZINC001363506918 918807084 /nfs/dbraw/zinc/80/70/84/918807084.db2.gz BYDKIGZNRDDAAN-SNVBAGLBSA-N 1 1 306.326 -1.974 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H]1CO ZINC001363506918 918807099 /nfs/dbraw/zinc/80/70/99/918807099.db2.gz BYDKIGZNRDDAAN-SNVBAGLBSA-N 1 1 306.326 -1.974 20 0 DAADMO O=C(CCc1nc(-c2nc[nH]n2)no1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363508503 918807888 /nfs/dbraw/zinc/80/78/88/918807888.db2.gz ROFUFFMEQPXCGE-SECBINFHSA-N 1 1 321.341 -1.030 20 0 DAADMO C[C@@H](Sc1nncn1C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363522800 918814317 /nfs/dbraw/zinc/81/43/17/918814317.db2.gz CEDYMQCBLYUZJE-SKDRFNHKSA-N 1 1 315.399 -1.237 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC001363524945 918815334 /nfs/dbraw/zinc/81/53/34/918815334.db2.gz UGINCQAPLBAMEN-PSASIEDQSA-N 1 1 301.372 -1.261 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363527609 918815932 /nfs/dbraw/zinc/81/59/32/918815932.db2.gz SNBQZCPUDHGHLQ-CQSZACIVSA-N 1 1 309.370 -1.376 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363525560 918816297 /nfs/dbraw/zinc/81/62/97/918816297.db2.gz NLDARCZBWFHDPM-KOLCDFICSA-N 1 1 309.388 -2.219 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363527227 918817091 /nfs/dbraw/zinc/81/70/91/918817091.db2.gz QPCWRDRWYAGEDB-CMPLNLGQSA-N 1 1 306.384 -1.722 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363532525 918818233 /nfs/dbraw/zinc/81/82/33/918818233.db2.gz BGGSJTWBQGWZEU-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO COC(=O)c1cccn(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1=O ZINC001363548721 918824972 /nfs/dbraw/zinc/82/49/72/918824972.db2.gz GHKUEODMSSWHHL-LLVKDONJSA-N 1 1 323.349 -1.182 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001363565091 918830389 /nfs/dbraw/zinc/83/03/89/918830389.db2.gz CCRQJFUZHVEXJF-LLVKDONJSA-N 1 1 301.412 -1.121 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NCC[N@@H+](C)CCO)c1 ZINC001363585365 918834746 /nfs/dbraw/zinc/83/47/46/918834746.db2.gz SAJODRAYRBTWCR-UHFFFAOYSA-N 1 1 319.387 -2.261 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001363596864 918839073 /nfs/dbraw/zinc/83/90/73/918839073.db2.gz JGQOKKZKVIEMLN-NQBHXWOUSA-N 1 1 311.342 -1.945 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(CO)COCCN1)[C@@H]1CCC[C@H]1O ZINC001363604461 918841011 /nfs/dbraw/zinc/84/10/11/918841011.db2.gz UAPKOTUUUITSAY-YRGRVCCFSA-N 1 1 301.387 -1.701 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601118 918841340 /nfs/dbraw/zinc/84/13/40/918841340.db2.gz MANUCAFCOFPPPM-SDBXPKJASA-N 1 1 306.326 -1.511 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601118 918841356 /nfs/dbraw/zinc/84/13/56/918841356.db2.gz MANUCAFCOFPPPM-SDBXPKJASA-N 1 1 306.326 -1.511 20 0 DAADMO CSCC[C@H](NC(N)=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363649989 918850125 /nfs/dbraw/zinc/85/01/25/918850125.db2.gz QLYYRQOVHFSSOX-JTQLQIEISA-N 1 1 302.400 -1.024 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001363650894 918850561 /nfs/dbraw/zinc/85/05/61/918850561.db2.gz VGPCZYZSDBHPGA-UHFFFAOYSA-N 1 1 305.400 -1.097 20 0 DAADMO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CN1CC[NH+](C)CC1 ZINC001363745950 918871531 /nfs/dbraw/zinc/87/15/31/918871531.db2.gz GHOAZMCRBDTGKT-NSHDSACASA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]2C1 ZINC001363757002 918872072 /nfs/dbraw/zinc/87/20/72/918872072.db2.gz BHPSHBPKVJEUBS-VWYCJHECSA-N 1 1 315.395 -1.690 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001363770562 918873597 /nfs/dbraw/zinc/87/35/97/918873597.db2.gz YSTJLZQKCIIAEY-UHFFFAOYSA-N 1 1 306.388 -2.076 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1C(N)=O ZINC001363800196 918879877 /nfs/dbraw/zinc/87/98/77/918879877.db2.gz COVUQDUNSSBQQU-DTORHVGOSA-N 1 1 321.362 -1.225 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]2N1 ZINC001363797230 918880028 /nfs/dbraw/zinc/88/00/28/918880028.db2.gz OLWHNTRMOKTXRJ-BYNQJWBRSA-N 1 1 300.355 -1.522 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC001363797438 918880665 /nfs/dbraw/zinc/88/06/65/918880665.db2.gz ASSXVGVOJNSRCB-VIFPVBQESA-N 1 1 314.342 -1.285 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@H]2N1 ZINC001363797240 918881665 /nfs/dbraw/zinc/88/16/65/918881665.db2.gz OLWHNTRMOKTXRJ-SFTQSGBHSA-N 1 1 300.355 -1.522 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001363809875 918883038 /nfs/dbraw/zinc/88/30/38/918883038.db2.gz JGPMILZPDOCLGF-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC001363805514 918884609 /nfs/dbraw/zinc/88/46/09/918884609.db2.gz PTSRXEDNCIBMPU-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC001363805514 918884623 /nfs/dbraw/zinc/88/46/23/918884623.db2.gz PTSRXEDNCIBMPU-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001363809831 918885155 /nfs/dbraw/zinc/88/51/55/918885155.db2.gz JGPMILZPDOCLGF-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC001363819043 918886012 /nfs/dbraw/zinc/88/60/12/918886012.db2.gz MGTOPJISMYCLMM-GJZGRUSLSA-N 1 1 308.334 -1.031 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363820033 918886398 /nfs/dbraw/zinc/88/63/98/918886398.db2.gz RVJGHMMYZLEFDB-WDEREUQCSA-N 1 1 320.415 -1.950 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363811923 918886496 /nfs/dbraw/zinc/88/64/96/918886496.db2.gz UJKAZNJSZREBHV-MRVPVSSYSA-N 1 1 305.342 -1.090 20 0 DAADMO O=C(c1cnn(C[C@@H](O)CO)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363813208 918887275 /nfs/dbraw/zinc/88/72/75/918887275.db2.gz JGHSPKMCAVGMCZ-BFHYXJOUSA-N 1 1 324.381 -1.483 20 0 DAADMO C[C@@H](C(=O)N[C@H](CO)CC1OCCO1)N1CC[NH+](C)CC1 ZINC001363814470 918887586 /nfs/dbraw/zinc/88/75/86/918887586.db2.gz HXLLORSWRBPBDY-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363811939 918888256 /nfs/dbraw/zinc/88/82/56/918888256.db2.gz UJKAZNJSZREBHV-QMMMGPOBSA-N 1 1 305.342 -1.090 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001363811163 918888467 /nfs/dbraw/zinc/88/84/67/918888467.db2.gz OFJADGSCXWLDCW-OLZOCXBDSA-N 1 1 310.354 -1.873 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001363811163 918888483 /nfs/dbraw/zinc/88/84/83/918888483.db2.gz OFJADGSCXWLDCW-OLZOCXBDSA-N 1 1 310.354 -1.873 20 0 DAADMO C[C@H](C(=O)N[C@@H](CO)CC1OCCO1)N1CC[NH+](C)CC1 ZINC001363814474 918888579 /nfs/dbraw/zinc/88/85/79/918888579.db2.gz HXLLORSWRBPBDY-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO COC1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CS(=O)(=O)C1 ZINC001363811909 918888944 /nfs/dbraw/zinc/88/89/44/918888944.db2.gz IOBCGOSJALAXEL-WDEREUQCSA-N 1 1 318.395 -1.533 20 0 DAADMO COC1(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CS(=O)(=O)C1 ZINC001363811909 918888954 /nfs/dbraw/zinc/88/89/54/918888954.db2.gz IOBCGOSJALAXEL-WDEREUQCSA-N 1 1 318.395 -1.533 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)cc2=O)[nH]1 ZINC001363853989 918896146 /nfs/dbraw/zinc/89/61/46/918896146.db2.gz PSSXCKZRXIQDIO-BDAKNGLRSA-N 1 1 308.342 -1.578 20 0 DAADMO Nc1nn2c(nc(C[N@@H+]3C[C@H](CCO)[C@H](CO)C3)cc2=O)[nH]1 ZINC001363853992 918897793 /nfs/dbraw/zinc/89/77/93/918897793.db2.gz PSSXCKZRXIQDIO-IUCAKERBSA-N 1 1 308.342 -1.578 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001364055733 918940865 /nfs/dbraw/zinc/94/08/65/918940865.db2.gz BWKWFBJEKHWUJN-AEJSXWLSSA-N 1 1 302.400 -1.288 20 0 DAADMO C[NH+]1CCN(CC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC001364084871 918945999 /nfs/dbraw/zinc/94/59/99/918945999.db2.gz RPIWCZMTLSCIGH-UHFFFAOYSA-N 1 1 304.416 -1.759 20 0 DAADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC[N@@H+](C)CCO ZINC001364113256 918951553 /nfs/dbraw/zinc/95/15/53/918951553.db2.gz GOIYESGPEALNAQ-UHFFFAOYSA-N 1 1 321.385 -1.094 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](CO)c2ncc[nH]2)CC1 ZINC001364194090 918962125 /nfs/dbraw/zinc/96/21/25/918962125.db2.gz QIPDDDDUMIDVCA-LLVKDONJSA-N 1 1 324.385 -1.047 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001364205789 918963823 /nfs/dbraw/zinc/96/38/23/918963823.db2.gz VETTWAQHHCXEIW-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001364205789 918963830 /nfs/dbraw/zinc/96/38/30/918963830.db2.gz VETTWAQHHCXEIW-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)O1 ZINC001364230695 918969897 /nfs/dbraw/zinc/96/98/97/918969897.db2.gz ASMZNSUBIGSGEI-VWYCJHECSA-N 1 1 300.359 -1.615 20 0 DAADMO COC(=O)c1ccn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC001364311160 918985233 /nfs/dbraw/zinc/98/52/33/918985233.db2.gz QEJNVIMQULVDGT-UHFFFAOYSA-N 1 1 323.353 -1.264 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC(O)(C(N)=O)C2)cn1 ZINC001364315976 918986004 /nfs/dbraw/zinc/98/60/04/918986004.db2.gz NTDLRTJMNASMMA-NWDGAFQWSA-N 1 1 321.381 -1.486 20 0 DAADMO Cn1[nH]cnc1=NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364323664 918986287 /nfs/dbraw/zinc/98/62/87/918986287.db2.gz IFYJDDCRWFWCAX-GXFFZTMASA-N 1 1 310.358 -1.416 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@H]1CCNC1=O ZINC001364326887 918988069 /nfs/dbraw/zinc/98/80/69/918988069.db2.gz USRVOFGHPWAACW-COPLHBTASA-N 1 1 312.370 -1.600 20 0 DAADMO CC(CO)(CO)CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001364349753 918991693 /nfs/dbraw/zinc/99/16/93/918991693.db2.gz WXOLUVZDJVIGRJ-UHFFFAOYSA-N 1 1 317.386 -1.275 20 0 DAADMO CC(CO)(CO)CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001364349753 918991703 /nfs/dbraw/zinc/99/17/03/918991703.db2.gz WXOLUVZDJVIGRJ-UHFFFAOYSA-N 1 1 317.386 -1.275 20 0 DAADMO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001364356053 918996988 /nfs/dbraw/zinc/99/69/88/918996988.db2.gz HGQBWLTYYPVMRJ-MWLCHTKSSA-N 1 1 316.383 -1.668 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)C1 ZINC001364383004 919004634 /nfs/dbraw/zinc/00/46/34/919004634.db2.gz MNWPQGBNPBWNAF-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)C1 ZINC001364383004 919004649 /nfs/dbraw/zinc/00/46/49/919004649.db2.gz MNWPQGBNPBWNAF-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001364406472 919007311 /nfs/dbraw/zinc/00/73/11/919007311.db2.gz VTGVKEINEHXMOT-LLVKDONJSA-N 1 1 309.432 -1.021 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(N)=O ZINC001364413370 919007373 /nfs/dbraw/zinc/00/73/73/919007373.db2.gz CMWMVEZWUILJNU-QWRGUYRKSA-N 1 1 314.386 -1.672 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001364417627 919008549 /nfs/dbraw/zinc/00/85/49/919008549.db2.gz MRKPXGFZVGINKO-CHWSQXEVSA-N 1 1 311.382 -1.648 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC001364406078 919008785 /nfs/dbraw/zinc/00/87/85/919008785.db2.gz SMDQNVFXRTYIQS-UHFFFAOYSA-N 1 1 301.343 -1.680 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001364413666 919008966 /nfs/dbraw/zinc/00/89/66/919008966.db2.gz BUQKYAYUTWFMHK-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001364413666 919008983 /nfs/dbraw/zinc/00/89/83/919008983.db2.gz BUQKYAYUTWFMHK-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO Cn1cc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)c(C(N)=O)n1 ZINC001364432127 919010303 /nfs/dbraw/zinc/01/03/03/919010303.db2.gz NPQFPEWFVUZXAO-UHFFFAOYSA-N 1 1 323.357 -1.586 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)C1 ZINC001364434474 919012540 /nfs/dbraw/zinc/01/25/40/919012540.db2.gz TVCXVFDSESUGBG-MGPQQGTHSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)C1 ZINC001364434474 919012553 /nfs/dbraw/zinc/01/25/53/919012553.db2.gz TVCXVFDSESUGBG-MGPQQGTHSA-N 1 1 313.398 -1.211 20 0 DAADMO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001364454506 919014001 /nfs/dbraw/zinc/01/40/01/919014001.db2.gz GNXAIWQBXMCUTQ-ZDUSSCGKSA-N 1 1 308.342 -1.027 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCOCC2)C[C@H]1C(N)=O ZINC001364469099 919014251 /nfs/dbraw/zinc/01/42/51/919014251.db2.gz KEHMQJLOJWMQTI-MXWKQRLJSA-N 1 1 315.370 -2.203 20 0 DAADMO COC(=O)Cn1cc(CCN2CC[N@@H+](CCO)C[C@H]2C)nn1 ZINC001364447831 919014506 /nfs/dbraw/zinc/01/45/06/919014506.db2.gz WTDHZYBFVDWVDT-GFCCVEGCSA-N 1 1 311.386 -1.008 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364459940 919014828 /nfs/dbraw/zinc/01/48/28/919014828.db2.gz VWUZNUBEMZMBHS-OZTPJHRESA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364459944 919014886 /nfs/dbraw/zinc/01/48/86/919014886.db2.gz VWUZNUBEMZMBHS-UUIJZJDISA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364459937 919015173 /nfs/dbraw/zinc/01/51/73/919015173.db2.gz VWUZNUBEMZMBHS-JUFZMCDQSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C[C@H](O)c2ccccc2)C[C@H]1C(N)=O ZINC001364451661 919016304 /nfs/dbraw/zinc/01/63/04/919016304.db2.gz NAFKGWUJZKGWMR-MQYQWHSLSA-N 1 1 321.377 -1.010 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471769 919017351 /nfs/dbraw/zinc/01/73/51/919017351.db2.gz NZOOINNKRQJQLQ-JTQLQIEISA-N 1 1 310.376 -3.151 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471300 919017411 /nfs/dbraw/zinc/01/74/11/919017411.db2.gz ICJHCKIXCQHOCP-PWSUYJOCSA-N 1 1 321.399 -2.123 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCCC1 ZINC001364471819 919017553 /nfs/dbraw/zinc/01/75/53/919017553.db2.gz PABUVTKGAQZMBP-LBPRGKRZSA-N 1 1 320.411 -1.189 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001364471920 919017957 /nfs/dbraw/zinc/01/79/57/919017957.db2.gz QTOJHARVHVNAOB-QMTHXVAHSA-N 1 1 323.353 -1.770 20 0 DAADMO NC(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001364472483 919018176 /nfs/dbraw/zinc/01/81/76/919018176.db2.gz WASDHJYUUCPRRQ-OAHLLOKOSA-N 1 1 307.350 -1.205 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCC2(CC1)OCCO2 ZINC001364474712 919018209 /nfs/dbraw/zinc/01/82/09/919018209.db2.gz IRDJECBPGXWGNE-NEPJUHHUSA-N 1 1 300.355 -1.221 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCC2(CC1)OCCO2 ZINC001364474712 919018219 /nfs/dbraw/zinc/01/82/19/919018219.db2.gz IRDJECBPGXWGNE-NEPJUHHUSA-N 1 1 300.355 -1.221 20 0 DAADMO NC(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001364472482 919018370 /nfs/dbraw/zinc/01/83/70/919018370.db2.gz WASDHJYUUCPRRQ-HNNXBMFYSA-N 1 1 307.350 -1.205 20 0 DAADMO CSCC[C@H](NC(N)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471849 919018426 /nfs/dbraw/zinc/01/84/26/919018426.db2.gz PGCNAMJRQXIGBV-CABZTGNLSA-N 1 1 320.415 -1.757 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(CO)CO)CC1 ZINC001364476396 919019225 /nfs/dbraw/zinc/01/92/25/919019225.db2.gz UPSNGTLFLFFOJK-UHFFFAOYSA-N 1 1 316.402 -1.513 20 0 DAADMO CN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364470139 919019486 /nfs/dbraw/zinc/01/94/86/919019486.db2.gz QFHLMTYBXOVCET-RNFRBKRXSA-N 1 1 310.276 -1.474 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cc(C(N)=O)no1 ZINC001364530637 919028297 /nfs/dbraw/zinc/02/82/97/919028297.db2.gz GGJUOMRZJORMFA-SECBINFHSA-N 1 1 310.358 -1.182 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001364522471 919028972 /nfs/dbraw/zinc/02/89/72/919028972.db2.gz SXXTVPLWRKZNPB-NWDGAFQWSA-N 1 1 317.386 -1.759 20 0 DAADMO C[C@@H](CNC(=O)N(C)CCS(N)(=O)=O)C[NH+]1CCOCC1 ZINC001364543285 919031901 /nfs/dbraw/zinc/03/19/01/919031901.db2.gz KXXLBMGPKQOOLB-NSHDSACASA-N 1 1 322.431 -1.115 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC[N@H+]1C ZINC001364545560 919032872 /nfs/dbraw/zinc/03/28/72/919032872.db2.gz WRZKZNMCCHDVHC-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)O1 ZINC001364562665 919033652 /nfs/dbraw/zinc/03/36/52/919033652.db2.gz ASMZNSUBIGSGEI-DCAQKATOSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)O1 ZINC001364562626 919034436 /nfs/dbraw/zinc/03/44/36/919034436.db2.gz ASMZNSUBIGSGEI-AXFHLTTASA-N 1 1 300.359 -1.615 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001364599058 919035753 /nfs/dbraw/zinc/03/57/53/919035753.db2.gz LNXOBYXJGJILFP-NSHDSACASA-N 1 1 322.431 -1.318 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001364595350 919036051 /nfs/dbraw/zinc/03/60/51/919036051.db2.gz SEOQPRAKVOYSKM-SECBINFHSA-N 1 1 323.353 -1.352 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)nn1 ZINC001364611611 919039793 /nfs/dbraw/zinc/03/97/93/919039793.db2.gz TYGMGUAUXBMZFV-SECBINFHSA-N 1 1 301.372 -1.322 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001364611615 919039873 /nfs/dbraw/zinc/03/98/73/919039873.db2.gz TYGMGUAUXBMZFV-VIFPVBQESA-N 1 1 301.372 -1.322 20 0 DAADMO O=C(NCc1nnc2n1CCOC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001364604271 919040007 /nfs/dbraw/zinc/04/00/07/919040007.db2.gz JSKRJNNHSOALLW-LLVKDONJSA-N 1 1 322.369 -1.231 20 0 DAADMO O=C(NCc1nnc2n1CCOC2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001364604271 919040016 /nfs/dbraw/zinc/04/00/16/919040016.db2.gz JSKRJNNHSOALLW-LLVKDONJSA-N 1 1 322.369 -1.231 20 0 DAADMO Cn1ncc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001364634832 919042354 /nfs/dbraw/zinc/04/23/54/919042354.db2.gz DFDABDGAURPFBI-GXTWGEPZSA-N 1 1 324.385 -1.160 20 0 DAADMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001364654485 919045533 /nfs/dbraw/zinc/04/55/33/919045533.db2.gz BTWJKGZYFZJEHW-JQWIXIFHSA-N 1 1 308.400 -1.094 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001364674005 919047101 /nfs/dbraw/zinc/04/71/01/919047101.db2.gz BLPQUWYUDMYRKE-SECBINFHSA-N 1 1 319.387 -1.132 20 0 DAADMO CN1CCn2c(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)nnc2C1=O ZINC001364681924 919047650 /nfs/dbraw/zinc/04/76/50/919047650.db2.gz BVBVSBNIOLBZDG-XPTSAGLGSA-N 1 1 322.369 -1.565 20 0 DAADMO CN1CCn2c(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)nnc2C1=O ZINC001364681924 919047663 /nfs/dbraw/zinc/04/76/63/919047663.db2.gz BVBVSBNIOLBZDG-XPTSAGLGSA-N 1 1 322.369 -1.565 20 0 DAADMO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001364667896 919048296 /nfs/dbraw/zinc/04/82/96/919048296.db2.gz CSGUIFAUBGLJRQ-GFCCVEGCSA-N 1 1 305.400 -1.071 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001364667896 919048314 /nfs/dbraw/zinc/04/83/14/919048314.db2.gz CSGUIFAUBGLJRQ-GFCCVEGCSA-N 1 1 305.400 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H]1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001364660117 919049351 /nfs/dbraw/zinc/04/93/51/919049351.db2.gz YIGKIOVWQGOPSN-MGPQQGTHSA-N 1 1 317.455 -1.144 20 0 DAADMO COC(=O)c1cc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cn1C ZINC001364705359 919053469 /nfs/dbraw/zinc/05/34/69/919053469.db2.gz WOMBIAHEWPVLIS-AOOOYVTPSA-N 1 1 308.338 -1.170 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)N1CCC2(CC1)OCCO2 ZINC001364721623 919056474 /nfs/dbraw/zinc/05/64/74/919056474.db2.gz MTSGCPAPALPLNE-NWDGAFQWSA-N 1 1 300.355 -1.363 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCN(CC(N)=O)C(=O)C2)CC1 ZINC001364721010 919057015 /nfs/dbraw/zinc/05/70/15/919057015.db2.gz KQKVWUDWYHZAQY-UHFFFAOYSA-N 1 1 311.386 -2.220 20 0 DAADMO NC(=O)Cn1cc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)nn1 ZINC001364729557 919057268 /nfs/dbraw/zinc/05/72/68/919057268.db2.gz SUOOWOAPZAWSMA-NSHDSACASA-N 1 1 322.369 -1.774 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001364733502 919059827 /nfs/dbraw/zinc/05/98/27/919059827.db2.gz XHPARVIHSXKREM-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+](CCO)C[C@@H](C)O)CC1 ZINC001364733502 919059845 /nfs/dbraw/zinc/05/98/45/919059845.db2.gz XHPARVIHSXKREM-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCn1nccc1NC(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364759242 919062153 /nfs/dbraw/zinc/06/21/53/919062153.db2.gz WTEHULXNXKVZDB-UWVGGRQHSA-N 1 1 322.369 -1.250 20 0 DAADMO CCCn1nccc1NC(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759238 919062801 /nfs/dbraw/zinc/06/28/01/919062801.db2.gz WTEHULXNXKVZDB-NXEZZACHSA-N 1 1 322.369 -1.250 20 0 DAADMO NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759470 919063000 /nfs/dbraw/zinc/06/30/00/919063000.db2.gz YXRYGXZDJCJVDM-GMTAPVOTSA-N 1 1 308.313 -1.129 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001364807685 919070743 /nfs/dbraw/zinc/07/07/43/919070743.db2.gz YHRZBUSEYSSFBT-SNVBAGLBSA-N 1 1 321.399 -1.463 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](CC2CN(S(C)(=O)=O)C2)CC1 ZINC001364806897 919071625 /nfs/dbraw/zinc/07/16/25/919071625.db2.gz GBSGYUUFOOVVGO-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO OC[C@@]12COCCN1CC[N@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC001364818295 919072835 /nfs/dbraw/zinc/07/28/35/919072835.db2.gz LSNYYSNFYIFELD-KBPBESRZSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@@]12COCCN1CC[N@@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC001364818295 919072854 /nfs/dbraw/zinc/07/28/54/919072854.db2.gz LSNYYSNFYIFELD-KBPBESRZSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@@]12COCCN1CC[N@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC001364818297 919074786 /nfs/dbraw/zinc/07/47/86/919074786.db2.gz LSNYYSNFYIFELD-KGLIPLIRSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@@]12COCCN1CC[N@@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC001364818297 919074801 /nfs/dbraw/zinc/07/48/01/919074801.db2.gz LSNYYSNFYIFELD-KGLIPLIRSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC001364818300 919075017 /nfs/dbraw/zinc/07/50/17/919075017.db2.gz LSNYYSNFYIFELD-ZIAGYGMSSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC001364818300 919075027 /nfs/dbraw/zinc/07/50/27/919075027.db2.gz LSNYYSNFYIFELD-ZIAGYGMSSA-N 1 1 316.398 -1.732 20 0 DAADMO COC(=O)Cn1cc(CC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)nn1 ZINC001364839567 919079503 /nfs/dbraw/zinc/07/95/03/919079503.db2.gz BBADYXXKQJHYRD-NWDGAFQWSA-N 1 1 312.370 -1.084 20 0 DAADMO Cc1onc(N)c1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001364923234 919099398 /nfs/dbraw/zinc/09/93/98/919099398.db2.gz KMPGNALDGBFIEZ-UHFFFAOYSA-N 1 1 317.371 -1.382 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001364939902 919103536 /nfs/dbraw/zinc/10/35/36/919103536.db2.gz LTSSJLJGOMTHRD-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001364939902 919103545 /nfs/dbraw/zinc/10/35/45/919103545.db2.gz LTSSJLJGOMTHRD-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO COC(=O)[C@@H]1[C@@H](C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1(F)F ZINC001364987250 919112705 /nfs/dbraw/zinc/11/27/05/919112705.db2.gz VIZZAXUQFFGBBT-CWKFCGSDSA-N 1 1 305.281 -1.441 20 0 DAADMO COC(=O)CN1CCC([NH2+]Cc2nnc3n2CCNC3=O)CC1 ZINC001364995002 919113273 /nfs/dbraw/zinc/11/32/73/919113273.db2.gz NGFDGBOPICYOLS-UHFFFAOYSA-N 1 1 322.369 -1.252 20 0 DAADMO COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364998959 919114585 /nfs/dbraw/zinc/11/45/85/919114585.db2.gz WOCBGECWMIQTOX-RTXFEEFZSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364998959 919114595 /nfs/dbraw/zinc/11/45/95/919114595.db2.gz WOCBGECWMIQTOX-RTXFEEFZSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364998959 919114605 /nfs/dbraw/zinc/11/46/05/919114605.db2.gz WOCBGECWMIQTOX-RTXFEEFZSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364998958 919115137 /nfs/dbraw/zinc/11/51/37/919115137.db2.gz WOCBGECWMIQTOX-RAIGVLPGSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364998958 919115151 /nfs/dbraw/zinc/11/51/51/919115151.db2.gz WOCBGECWMIQTOX-RAIGVLPGSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364998958 919115165 /nfs/dbraw/zinc/11/51/65/919115165.db2.gz WOCBGECWMIQTOX-RAIGVLPGSA-N 1 1 321.381 -1.002 20 0 DAADMO O=C([C@@H]1C[C@@H](O)CN1c1ccncn1)N1CC([NH2+]C2COC2)C1 ZINC001365051514 919118777 /nfs/dbraw/zinc/11/87/77/919118777.db2.gz YLQNHESYZGLEGY-OLZOCXBDSA-N 1 1 319.365 -1.385 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001365109741 919124803 /nfs/dbraw/zinc/12/48/03/919124803.db2.gz NXEUUKZZQIBECI-VHSXEESVSA-N 1 1 313.358 -1.364 20 0 DAADMO C[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001365114434 919125727 /nfs/dbraw/zinc/12/57/27/919125727.db2.gz IDQOSDMBLXIVMF-WDEREUQCSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001365114434 919125738 /nfs/dbraw/zinc/12/57/38/919125738.db2.gz IDQOSDMBLXIVMF-WDEREUQCSA-N 1 1 314.386 -1.273 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158969 919133739 /nfs/dbraw/zinc/13/37/39/919133739.db2.gz FHLFYVFRHRLJAU-FZMZJTMJSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158969 919133751 /nfs/dbraw/zinc/13/37/51/919133751.db2.gz FHLFYVFRHRLJAU-FZMZJTMJSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158971 919135233 /nfs/dbraw/zinc/13/52/33/919135233.db2.gz FHLFYVFRHRLJAU-RISCZKNCSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158971 919135248 /nfs/dbraw/zinc/13/52/48/919135248.db2.gz FHLFYVFRHRLJAU-RISCZKNCSA-N 1 1 309.370 -1.036 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001365186299 919136843 /nfs/dbraw/zinc/13/68/43/919136843.db2.gz XUBBAYLNLHLGET-SNVBAGLBSA-N 1 1 322.369 -1.564 20 0 DAADMO COC(=O)c1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)no1 ZINC001365180769 919137807 /nfs/dbraw/zinc/13/78/07/919137807.db2.gz GVJRADUTUOJNQU-UHFFFAOYSA-N 1 1 310.310 -1.035 20 0 DAADMO NS(=O)(=O)[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001365175510 919138178 /nfs/dbraw/zinc/13/81/78/919138178.db2.gz CJEDGQVDFKNAGJ-NSHDSACASA-N 1 1 320.415 -1.219 20 0 DAADMO NC(=O)C1(O)CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC001365177342 919138553 /nfs/dbraw/zinc/13/85/53/919138553.db2.gz HCHNBFKKFTXUKZ-UHFFFAOYSA-N 1 1 314.386 -1.270 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001365195330 919140903 /nfs/dbraw/zinc/14/09/03/919140903.db2.gz TXERVKGXMOYFQT-VXGBXAGGSA-N 1 1 318.443 -1.180 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001365195328 919141705 /nfs/dbraw/zinc/14/17/05/919141705.db2.gz TXERVKGXMOYFQT-NWDGAFQWSA-N 1 1 318.443 -1.180 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001365215495 919142212 /nfs/dbraw/zinc/14/22/12/919142212.db2.gz SNPLWXTTWBUSCC-GFCCVEGCSA-N 1 1 318.443 -1.369 20 0 DAADMO CCOC(=O)Cn1cnc(NC(=O)NCC[N@@H+](C)CCO)n1 ZINC001365230024 919145245 /nfs/dbraw/zinc/14/52/45/919145245.db2.gz MWBUSGYAIRSFCX-UHFFFAOYSA-N 1 1 314.346 -1.113 20 0 DAADMO NC(=O)CN1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001365275659 919151481 /nfs/dbraw/zinc/15/14/81/919151481.db2.gz YIMUTXICBNDNKM-LBPRGKRZSA-N 1 1 301.387 -1.354 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001365285294 919151784 /nfs/dbraw/zinc/15/17/84/919151784.db2.gz BBICTJDPVVEOLM-QWRGUYRKSA-N 1 1 308.400 -1.358 20 0 DAADMO O=C1NCCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001365271997 919152563 /nfs/dbraw/zinc/15/25/63/919152563.db2.gz LWMPCELNWWEZBA-TUAOUCFPSA-N 1 1 317.411 -1.648 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC001365275713 919152914 /nfs/dbraw/zinc/15/29/14/919152914.db2.gz ZEQODBNHCYFJSD-UHFFFAOYSA-N 1 1 318.443 -1.095 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001365311198 919155298 /nfs/dbraw/zinc/15/52/98/919155298.db2.gz NLNNDNODVZAIGF-GHMZBOCLSA-N 1 1 315.370 -1.299 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](O)[C@H](CO)C2)cn1 ZINC001365305980 919155607 /nfs/dbraw/zinc/15/56/07/919155607.db2.gz QJUUSWSTYNLWRT-ONGXEEELSA-N 1 1 304.372 -2.017 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](O)[C@H](CO)C2)cn1 ZINC001365305980 919155621 /nfs/dbraw/zinc/15/56/21/919155621.db2.gz QJUUSWSTYNLWRT-ONGXEEELSA-N 1 1 304.372 -2.017 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](O)[C@@H](CO)C2)cn1 ZINC001365305975 919156024 /nfs/dbraw/zinc/15/60/24/919156024.db2.gz QJUUSWSTYNLWRT-KOLCDFICSA-N 1 1 304.372 -2.017 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](O)[C@@H](CO)C2)cn1 ZINC001365305975 919156036 /nfs/dbraw/zinc/15/60/36/919156036.db2.gz QJUUSWSTYNLWRT-KOLCDFICSA-N 1 1 304.372 -2.017 20 0 DAADMO COCc1nnc2n1CC[N@@H+](CCC(=O)NCC(=O)OC)C2 ZINC001365313713 919156090 /nfs/dbraw/zinc/15/60/90/919156090.db2.gz NXLQIZVTRRGSJK-UHFFFAOYSA-N 1 1 311.342 -1.081 20 0 DAADMO COCc1nnc2n1CC[N@H+](CCC(=O)NCC(=O)OC)C2 ZINC001365313713 919156105 /nfs/dbraw/zinc/15/61/05/919156105.db2.gz NXLQIZVTRRGSJK-UHFFFAOYSA-N 1 1 311.342 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001365308484 919156501 /nfs/dbraw/zinc/15/65/01/919156501.db2.gz BDIRQOJWBTZFIJ-SECBINFHSA-N 1 1 307.358 -1.502 20 0 DAADMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C[C@@H]21 ZINC001365298413 919157564 /nfs/dbraw/zinc/15/75/64/919157564.db2.gz HWSZXAGLSULITH-MBTKJCJQSA-N 1 1 304.310 -1.149 20 0 DAADMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C[C@@H]21 ZINC001365298413 919157570 /nfs/dbraw/zinc/15/75/70/919157570.db2.gz HWSZXAGLSULITH-MBTKJCJQSA-N 1 1 304.310 -1.149 20 0 DAADMO COCCS(=O)(=O)CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365318284 919160031 /nfs/dbraw/zinc/16/00/31/919160031.db2.gz QPFVKYCJXOSCGC-AOOOYVTPSA-N 1 1 321.399 -2.044 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001365332263 919163957 /nfs/dbraw/zinc/16/39/57/919163957.db2.gz DJVSGRDEVJTFTK-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@H]2C1 ZINC001365336162 919164242 /nfs/dbraw/zinc/16/42/42/919164242.db2.gz UKEXZWYEYGFWPO-GRYCIOLGSA-N 1 1 305.396 -1.135 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C[C@H]1CS(N)(=O)=O ZINC001365335453 919164569 /nfs/dbraw/zinc/16/45/69/919164569.db2.gz RETXEHXRHSQBTI-VOAKCMCISA-N 1 1 322.427 -1.255 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001365336160 919164665 /nfs/dbraw/zinc/16/46/65/919164665.db2.gz ISTKPZQKKDUGFJ-OCCSQVGLSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001365336160 919164676 /nfs/dbraw/zinc/16/46/76/919164676.db2.gz ISTKPZQKKDUGFJ-OCCSQVGLSA-N 1 1 302.371 -1.321 20 0 DAADMO CN(C)c1n[nH]c(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001365428030 919180958 /nfs/dbraw/zinc/18/09/58/919180958.db2.gz ADQHPEHYKGVXMK-SNVBAGLBSA-N 1 1 309.374 -1.169 20 0 DAADMO CN(C)c1n[nH]c(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001365428030 919180967 /nfs/dbraw/zinc/18/09/67/919180967.db2.gz ADQHPEHYKGVXMK-SNVBAGLBSA-N 1 1 309.374 -1.169 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCC[NH+](C)C ZINC001365461327 919188862 /nfs/dbraw/zinc/18/88/62/919188862.db2.gz XZZMQQJJUDHZTA-NSHDSACASA-N 1 1 317.415 -1.062 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCO)cc1C(N)=O ZINC001365458660 919190493 /nfs/dbraw/zinc/19/04/93/919190493.db2.gz HEYVCIMVFDJSRR-UHFFFAOYSA-N 1 1 304.372 -1.674 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)cc1C(N)=O ZINC001365458660 919190502 /nfs/dbraw/zinc/19/05/02/919190502.db2.gz HEYVCIMVFDJSRR-UHFFFAOYSA-N 1 1 304.372 -1.674 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CNC(=O)C2)CC1 ZINC001365542341 919199680 /nfs/dbraw/zinc/19/96/80/919199680.db2.gz ODDIUVVMDMEOCC-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC001365574111 919200404 /nfs/dbraw/zinc/20/04/04/919200404.db2.gz NKFOXUSZKLVNRQ-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC001365574111 919200421 /nfs/dbraw/zinc/20/04/21/919200421.db2.gz NKFOXUSZKLVNRQ-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC001365586977 919203574 /nfs/dbraw/zinc/20/35/74/919203574.db2.gz HHBYFJJUXCQZJU-VHSXEESVSA-N 1 1 313.358 -1.675 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001365609714 919203651 /nfs/dbraw/zinc/20/36/51/919203651.db2.gz XHJWLEUXWXRUNZ-ZJUUUORDSA-N 1 1 309.370 -1.582 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001365609396 919204184 /nfs/dbraw/zinc/20/41/84/919204184.db2.gz KUVSZBXNDSZLPR-UHFFFAOYSA-N 1 1 309.370 -2.562 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001365609396 919204197 /nfs/dbraw/zinc/20/41/97/919204197.db2.gz KUVSZBXNDSZLPR-UHFFFAOYSA-N 1 1 309.370 -2.562 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001365650312 919210125 /nfs/dbraw/zinc/21/01/25/919210125.db2.gz ALLBHIZLSNUCOF-MNOVXSKESA-N 1 1 320.415 -1.614 20 0 DAADMO Cn1ncc(CN2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001365688788 919216829 /nfs/dbraw/zinc/21/68/29/919216829.db2.gz AXDCXGLEJZQPNS-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1ncc(CN2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001365688788 919216840 /nfs/dbraw/zinc/21/68/40/919216840.db2.gz AXDCXGLEJZQPNS-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1nncc1CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001365688913 919216926 /nfs/dbraw/zinc/21/69/26/919216926.db2.gz CGJBHUVPXDEJIJ-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1nncc1CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001365688913 919216940 /nfs/dbraw/zinc/21/69/40/919216940.db2.gz CGJBHUVPXDEJIJ-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1nncc1CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001365688914 919217612 /nfs/dbraw/zinc/21/76/12/919217612.db2.gz CGJBHUVPXDEJIJ-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1nncc1CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001365688914 919217626 /nfs/dbraw/zinc/21/76/26/919217626.db2.gz CGJBHUVPXDEJIJ-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1nccc1CC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC001365684979 919218706 /nfs/dbraw/zinc/21/87/06/919218706.db2.gz DIDZOAAILLUJDI-UHFFFAOYSA-N 1 1 304.358 -1.207 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001365699105 919221316 /nfs/dbraw/zinc/22/13/16/919221316.db2.gz XHFLAVDVNGKFOT-NIVTXAMTSA-N 1 1 314.433 -1.538 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001365699105 919221327 /nfs/dbraw/zinc/22/13/27/919221327.db2.gz XHFLAVDVNGKFOT-NIVTXAMTSA-N 1 1 314.433 -1.538 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001365869601 919242408 /nfs/dbraw/zinc/24/24/08/919242408.db2.gz AWFKIPQYPMHWPS-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001365869601 919242420 /nfs/dbraw/zinc/24/24/20/919242420.db2.gz AWFKIPQYPMHWPS-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365877491 919243524 /nfs/dbraw/zinc/24/35/24/919243524.db2.gz QLZIXJKDACKSDH-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365877491 919243540 /nfs/dbraw/zinc/24/35/40/919243540.db2.gz QLZIXJKDACKSDH-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO CCOCC(=O)NCc1nc(C[NH2+]CC(=O)NC)cc(=O)[nH]1 ZINC001365863707 919244415 /nfs/dbraw/zinc/24/44/15/919244415.db2.gz PUDVJZLUNBCGFK-UHFFFAOYSA-N 1 1 311.342 -1.330 20 0 DAADMO COCC(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1 ZINC001365906343 919245659 /nfs/dbraw/zinc/24/56/59/919245659.db2.gz WJJKUWRYBSXMKG-CYBMUJFWSA-N 1 1 304.387 -1.075 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)[C@@H]1C ZINC001365903000 919246018 /nfs/dbraw/zinc/24/60/18/919246018.db2.gz CQZOCMFQALQDCR-XBFCOCLRSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001365935420 919247198 /nfs/dbraw/zinc/24/71/98/919247198.db2.gz SXBMFCAUQCNVDL-LLVKDONJSA-N 1 1 300.359 -2.188 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001365890184 919247830 /nfs/dbraw/zinc/24/78/30/919247830.db2.gz VJWWNDXRAYPZKY-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001365890184 919247843 /nfs/dbraw/zinc/24/78/43/919247843.db2.gz VJWWNDXRAYPZKY-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001365937997 919250350 /nfs/dbraw/zinc/25/03/50/919250350.db2.gz BVWCMKQTIPDONT-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001365937997 919250362 /nfs/dbraw/zinc/25/03/62/919250362.db2.gz BVWCMKQTIPDONT-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001365948167 919251074 /nfs/dbraw/zinc/25/10/74/919251074.db2.gz KYALVPKJXBFMCZ-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001365948167 919251085 /nfs/dbraw/zinc/25/10/85/919251085.db2.gz KYALVPKJXBFMCZ-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001365940826 919252871 /nfs/dbraw/zinc/25/28/71/919252871.db2.gz VGPXJXLKIZWYIV-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001365946211 919252917 /nfs/dbraw/zinc/25/29/17/919252917.db2.gz GVDFDICGSYWQBL-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365976464 919257229 /nfs/dbraw/zinc/25/72/29/919257229.db2.gz GKAWHLXMSCQQJE-JTQLQIEISA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365976464 919257248 /nfs/dbraw/zinc/25/72/48/919257248.db2.gz GKAWHLXMSCQQJE-JTQLQIEISA-N 1 1 307.358 -1.460 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001365971976 919257532 /nfs/dbraw/zinc/25/75/32/919257532.db2.gz CZBOWCITIVBONJ-QWRGUYRKSA-N 1 1 321.385 -1.115 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001365981179 919258719 /nfs/dbraw/zinc/25/87/19/919258719.db2.gz HKMIHWPNIRVDJP-LLVKDONJSA-N 1 1 300.359 -2.188 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001365971981 919259726 /nfs/dbraw/zinc/25/97/26/919259726.db2.gz CZBOWCITIVBONJ-WDEREUQCSA-N 1 1 321.385 -1.115 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001365969128 919259767 /nfs/dbraw/zinc/25/97/67/919259767.db2.gz KNFKGPQNWGWBNG-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001365969128 919259778 /nfs/dbraw/zinc/25/97/78/919259778.db2.gz KNFKGPQNWGWBNG-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001365969358 919260796 /nfs/dbraw/zinc/26/07/96/919260796.db2.gz HRGSOESFOJAJPV-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975705 919261458 /nfs/dbraw/zinc/26/14/58/919261458.db2.gz JHGPPXKKOMHABJ-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975705 919261472 /nfs/dbraw/zinc/26/14/72/919261472.db2.gz JHGPPXKKOMHABJ-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001365989397 919263261 /nfs/dbraw/zinc/26/32/61/919263261.db2.gz CUJKHZGAPFRQDR-RYUDHWBXSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001365989397 919263276 /nfs/dbraw/zinc/26/32/76/919263276.db2.gz CUJKHZGAPFRQDR-RYUDHWBXSA-N 1 1 306.370 -1.173 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986576 919264546 /nfs/dbraw/zinc/26/45/46/919264546.db2.gz OFTAASQAINDILR-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986576 919264563 /nfs/dbraw/zinc/26/45/63/919264563.db2.gz OFTAASQAINDILR-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365988324 919264780 /nfs/dbraw/zinc/26/47/80/919264780.db2.gz YUJHBEWUOZWGMG-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365988324 919264797 /nfs/dbraw/zinc/26/47/97/919264797.db2.gz YUJHBEWUOZWGMG-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C2CC2)n1 ZINC001366026655 919268498 /nfs/dbraw/zinc/26/84/98/919268498.db2.gz NLVXMOGSVHQXCZ-NSHDSACASA-N 1 1 315.399 -1.156 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001366006939 919268853 /nfs/dbraw/zinc/26/88/53/919268853.db2.gz YXOZHPFDWFJFKF-LLVKDONJSA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001366006939 919268870 /nfs/dbraw/zinc/26/88/70/919268870.db2.gz YXOZHPFDWFJFKF-LLVKDONJSA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001366066864 919275509 /nfs/dbraw/zinc/27/55/09/919275509.db2.gz UHXIGZVSHQCOQC-HZMBPMFUSA-N 1 1 321.385 -1.137 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001366077755 919276062 /nfs/dbraw/zinc/27/60/62/919276062.db2.gz QOWOFNIIQRUGJE-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366074411 919276335 /nfs/dbraw/zinc/27/63/35/919276335.db2.gz DVCCLVVLAFDZQO-JTQLQIEISA-N 1 1 309.374 -1.142 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001366075205 919277092 /nfs/dbraw/zinc/27/70/92/919277092.db2.gz FWLXLCVMFIBBSP-WDEREUQCSA-N 1 1 311.386 -1.383 20 0 DAADMO CNC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001366087344 919277550 /nfs/dbraw/zinc/27/75/50/919277550.db2.gz IGYFRAUYZJJXFN-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001366077775 919277574 /nfs/dbraw/zinc/27/75/74/919277574.db2.gz QOWOFNIIQRUGJE-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncn1 ZINC001366085285 919278067 /nfs/dbraw/zinc/27/80/67/919278067.db2.gz ZSRRVENXWJAPAC-XQQFMLRXSA-N 1 1 309.370 -1.039 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001366069340 919278617 /nfs/dbraw/zinc/27/86/17/919278617.db2.gz KDEXPIYZOLNFRR-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001366093126 919281686 /nfs/dbraw/zinc/28/16/86/919281686.db2.gz POTWYTTTYGZBJZ-ZJUUUORDSA-N 1 1 309.374 -1.004 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001366112784 919284377 /nfs/dbraw/zinc/28/43/77/919284377.db2.gz ZRBCWRRUDBOMQN-ZKCHVHJHSA-N 1 1 302.360 -2.009 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001366108793 919284716 /nfs/dbraw/zinc/28/47/16/919284716.db2.gz IFAPZWLWYCVHTQ-MGCOHNPYSA-N 1 1 309.374 -1.137 20 0 DAADMO COCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366168232 919289042 /nfs/dbraw/zinc/28/90/42/919289042.db2.gz BJRVZYJDZIVKBW-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001366161483 919290411 /nfs/dbraw/zinc/29/04/11/919290411.db2.gz JGUXCBJRIKDERN-HLTSFMKQSA-N 1 1 316.387 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366171809 919290927 /nfs/dbraw/zinc/29/09/27/919290927.db2.gz MZOSROOGXHJVJD-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366171809 919290939 /nfs/dbraw/zinc/29/09/39/919290939.db2.gz MZOSROOGXHJVJD-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001366177120 919292806 /nfs/dbraw/zinc/29/28/06/919292806.db2.gz YIMVOSLJPPDBJH-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366175118 919293404 /nfs/dbraw/zinc/29/34/04/919293404.db2.gz IMHFYZHGDVDNGR-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001366217636 919293711 /nfs/dbraw/zinc/29/37/11/919293711.db2.gz ZHQSEEJCBUYKMQ-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001366217636 919293722 /nfs/dbraw/zinc/29/37/22/919293722.db2.gz ZHQSEEJCBUYKMQ-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](C)O ZINC001366217132 919295029 /nfs/dbraw/zinc/29/50/29/919295029.db2.gz YBZQZIXRWHOFFP-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1COC(=O)C1 ZINC001366231333 919297591 /nfs/dbraw/zinc/29/75/91/919297591.db2.gz DSDJASJLXUMQTA-VINAVUOLSA-N 1 1 312.366 -1.007 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nc(C2CC2)nn1C ZINC001366252132 919297866 /nfs/dbraw/zinc/29/78/66/919297866.db2.gz ORZCCKYQJXTMMP-SECBINFHSA-N 1 1 319.373 -1.027 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001366226134 919298507 /nfs/dbraw/zinc/29/85/07/919298507.db2.gz LKNOXJIRVYUFBP-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366252675 919298610 /nfs/dbraw/zinc/29/86/10/919298610.db2.gz PBHYODUZXDHBSN-VHSXEESVSA-N 1 1 324.385 -1.073 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233567 919299184 /nfs/dbraw/zinc/29/91/84/919299184.db2.gz QJCQMRPCMMRVCG-CDDJKKQXSA-N 1 1 324.337 -1.963 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233567 919299199 /nfs/dbraw/zinc/29/91/99/919299199.db2.gz QJCQMRPCMMRVCG-CDDJKKQXSA-N 1 1 324.337 -1.963 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366269078 919300837 /nfs/dbraw/zinc/30/08/37/919300837.db2.gz SXVAMPGZUFGPMQ-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1nnnn1C ZINC001366271006 919301580 /nfs/dbraw/zinc/30/15/80/919301580.db2.gz AIDZLHCWEUTPRN-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCS(C)(=O)=O ZINC001366270389 919303031 /nfs/dbraw/zinc/30/30/31/919303031.db2.gz SOLPKMOZKLEIGT-SECBINFHSA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ncccn1 ZINC001366300858 919304367 /nfs/dbraw/zinc/30/43/67/919304367.db2.gz COMOBTAFEZGMBF-LBPRGKRZSA-N 1 1 320.397 -1.155 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001366309687 919308279 /nfs/dbraw/zinc/30/82/79/919308279.db2.gz UFRXEZUIYZPNHQ-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001366308309 919310690 /nfs/dbraw/zinc/31/06/90/919310690.db2.gz MFZYAMBKXIZHSZ-SECBINFHSA-N 1 1 323.357 -1.042 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001366312012 919310892 /nfs/dbraw/zinc/31/08/92/919310892.db2.gz SPKIIXDTOWRSGF-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001366312568 919310968 /nfs/dbraw/zinc/31/09/68/919310968.db2.gz SDCCRFKISYKRMY-LBPRGKRZSA-N 1 1 320.397 -1.189 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001366327383 919312478 /nfs/dbraw/zinc/31/24/78/919312478.db2.gz OSOOXYBAXWZVJG-ZJUUUORDSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366332442 919313749 /nfs/dbraw/zinc/31/37/49/919313749.db2.gz JSUFABFETHAIRB-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366332442 919313765 /nfs/dbraw/zinc/31/37/65/919313765.db2.gz JSUFABFETHAIRB-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001366420728 919327647 /nfs/dbraw/zinc/32/76/47/919327647.db2.gz JWRBHXYMNFLTDS-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001366420728 919327659 /nfs/dbraw/zinc/32/76/59/919327659.db2.gz JWRBHXYMNFLTDS-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@@H](CCNC(=O)CCn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC001366447831 919328528 /nfs/dbraw/zinc/32/85/28/919328528.db2.gz UERXKQUNAVOFKW-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001366450121 919328600 /nfs/dbraw/zinc/32/86/00/919328600.db2.gz RADIXFDZAZNRSZ-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001366436958 919328918 /nfs/dbraw/zinc/32/89/18/919328918.db2.gz WCBPIROIRGGKKR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001366436958 919328930 /nfs/dbraw/zinc/32/89/30/919328930.db2.gz WCBPIROIRGGKKR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001366450106 919330689 /nfs/dbraw/zinc/33/06/89/919330689.db2.gz RADIXFDZAZNRSZ-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001366441852 919331249 /nfs/dbraw/zinc/33/12/49/919331249.db2.gz LVGCXOMQZJXVJE-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001366508503 919332512 /nfs/dbraw/zinc/33/25/12/919332512.db2.gz FPJHZQONKWTTAG-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001366516087 919333103 /nfs/dbraw/zinc/33/31/03/919333103.db2.gz YWERFFYPBUUIIE-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001366516087 919333113 /nfs/dbraw/zinc/33/31/13/919333113.db2.gz YWERFFYPBUUIIE-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366525773 919336431 /nfs/dbraw/zinc/33/64/31/919336431.db2.gz YXHOTRJKGORZQR-SSDOTTSWSA-N 1 1 301.303 -2.402 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366525773 919336449 /nfs/dbraw/zinc/33/64/49/919336449.db2.gz YXHOTRJKGORZQR-SSDOTTSWSA-N 1 1 301.303 -2.402 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001366532052 919336585 /nfs/dbraw/zinc/33/65/85/919336585.db2.gz UYOAIKZXNSKGTL-UHFFFAOYSA-N 1 1 310.358 -1.534 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001366532052 919336594 /nfs/dbraw/zinc/33/65/94/919336594.db2.gz UYOAIKZXNSKGTL-UHFFFAOYSA-N 1 1 310.358 -1.534 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnns1 ZINC001366521560 919336965 /nfs/dbraw/zinc/33/69/65/919336965.db2.gz WNQZTACWJUEIFJ-UHFFFAOYSA-N 1 1 300.344 -1.345 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnns1 ZINC001366521560 919336984 /nfs/dbraw/zinc/33/69/84/919336984.db2.gz WNQZTACWJUEIFJ-UHFFFAOYSA-N 1 1 300.344 -1.345 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001366523079 919338456 /nfs/dbraw/zinc/33/84/56/919338456.db2.gz AALDCAHNPSFCFQ-SNVBAGLBSA-N 1 1 315.374 -1.150 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)NCC1CC1 ZINC001366519900 919338786 /nfs/dbraw/zinc/33/87/86/919338786.db2.gz FHWDRIBTSOCTNN-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)NCC1CC1 ZINC001366519900 919338803 /nfs/dbraw/zinc/33/88/03/919338803.db2.gz FHWDRIBTSOCTNN-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(=O)CC ZINC001366516627 919339996 /nfs/dbraw/zinc/33/99/96/919339996.db2.gz CFUJWODQCQFLTL-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)CC ZINC001366516627 919340011 /nfs/dbraw/zinc/34/00/11/919340011.db2.gz CFUJWODQCQFLTL-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CO[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@@H]1CCOC1 ZINC001366554897 919344755 /nfs/dbraw/zinc/34/47/55/919344755.db2.gz QBOHBWAAKOXVQY-KOLCDFICSA-N 1 1 316.358 -1.719 20 0 DAADMO CO[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@@H]1CCOC1 ZINC001366554897 919344770 /nfs/dbraw/zinc/34/47/70/919344770.db2.gz QBOHBWAAKOXVQY-KOLCDFICSA-N 1 1 316.358 -1.719 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001366543299 919345094 /nfs/dbraw/zinc/34/50/94/919345094.db2.gz BMVCBJYCGLTBLZ-JTQLQIEISA-N 1 1 314.342 -1.996 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001366560664 919346229 /nfs/dbraw/zinc/34/62/29/919346229.db2.gz OTUIPYUISDERAW-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001366560664 919346245 /nfs/dbraw/zinc/34/62/45/919346245.db2.gz OTUIPYUISDERAW-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001366561453 919346561 /nfs/dbraw/zinc/34/65/61/919346561.db2.gz AZRRBGXJOGUBDJ-MRVPVSSYSA-N 1 1 319.387 -1.246 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001366567245 919346581 /nfs/dbraw/zinc/34/65/81/919346581.db2.gz LCOLKVUFWKTADL-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001366567245 919346592 /nfs/dbraw/zinc/34/65/92/919346592.db2.gz LCOLKVUFWKTADL-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001366561454 919346770 /nfs/dbraw/zinc/34/67/70/919346770.db2.gz AZRRBGXJOGUBDJ-QMMMGPOBSA-N 1 1 319.387 -1.246 20 0 DAADMO Cc1nn(C)cc1C[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366559551 919347055 /nfs/dbraw/zinc/34/70/55/919347055.db2.gz LGZQWVDXNMLFFU-UHFFFAOYSA-N 1 1 322.413 -1.292 20 0 DAADMO Cc1nn(C)cc1C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366559551 919347073 /nfs/dbraw/zinc/34/70/73/919347073.db2.gz LGZQWVDXNMLFFU-UHFFFAOYSA-N 1 1 322.413 -1.292 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1cnon1 ZINC001366574450 919347792 /nfs/dbraw/zinc/34/77/92/919347792.db2.gz NEDWIJRBYZQYPY-UHFFFAOYSA-N 1 1 305.360 -1.330 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1cnon1 ZINC001366574450 919347804 /nfs/dbraw/zinc/34/78/04/919347804.db2.gz NEDWIJRBYZQYPY-UHFFFAOYSA-N 1 1 305.360 -1.330 20 0 DAADMO C[N@H+](CCNC(=O)CCCS(N)(=O)=O)[C@@H]1CCNC1=O ZINC001366564352 919348544 /nfs/dbraw/zinc/34/85/44/919348544.db2.gz LNHLQKXNBJNDKW-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@@H]1CCNC1=O ZINC001366564352 919348558 /nfs/dbraw/zinc/34/85/58/919348558.db2.gz LNHLQKXNBJNDKW-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)NC1=O ZINC001366562319 919348675 /nfs/dbraw/zinc/34/86/75/919348675.db2.gz ZLYVYMPRMOEJEL-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001366573376 919349058 /nfs/dbraw/zinc/34/90/58/919349058.db2.gz GJXVIDKBQOUFFQ-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001366573376 919349078 /nfs/dbraw/zinc/34/90/78/919349078.db2.gz GJXVIDKBQOUFFQ-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001366559866 919349432 /nfs/dbraw/zinc/34/94/32/919349432.db2.gz NILUJFJLUXJUID-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001366559866 919349453 /nfs/dbraw/zinc/34/94/53/919349453.db2.gz NILUJFJLUXJUID-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001366582850 919350569 /nfs/dbraw/zinc/35/05/69/919350569.db2.gz ZZMVKKANLZAKKP-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001366582850 919350580 /nfs/dbraw/zinc/35/05/80/919350580.db2.gz ZZMVKKANLZAKKP-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)CCN1CCCC1=O ZINC001366599589 919351026 /nfs/dbraw/zinc/35/10/26/919351026.db2.gz KMYLMGDGHXJWPS-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001366583707 919351610 /nfs/dbraw/zinc/35/16/10/919351610.db2.gz BNVNRGYNJIXIIK-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)n(C)c1=O ZINC001366597986 919351868 /nfs/dbraw/zinc/35/18/68/919351868.db2.gz ZEAMALDLCGTCTB-UHFFFAOYSA-N 1 1 324.385 -1.589 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)CCNS(C)(=O)=O ZINC001366586905 919352345 /nfs/dbraw/zinc/35/23/45/919352345.db2.gz LKDOJQDLWUIGTG-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)CC(=O)NC(N)=O ZINC001366592354 919352996 /nfs/dbraw/zinc/35/29/96/919352996.db2.gz MBLIWXJOBBIBGO-SECBINFHSA-N 1 1 323.357 -1.917 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)CC(=O)NC(N)=O ZINC001366592354 919353011 /nfs/dbraw/zinc/35/30/11/919353011.db2.gz MBLIWXJOBBIBGO-SECBINFHSA-N 1 1 323.357 -1.917 20 0 DAADMO C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001366597652 919353568 /nfs/dbraw/zinc/35/35/68/919353568.db2.gz TUDHMVGWCFNQGR-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001366590558 919354801 /nfs/dbraw/zinc/35/48/01/919354801.db2.gz LZQHDZKQHIBLED-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001366590558 919354815 /nfs/dbraw/zinc/35/48/15/919354815.db2.gz LZQHDZKQHIBLED-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn2nccc2c1=O)C[C@H](C)O ZINC001366628265 919356490 /nfs/dbraw/zinc/35/64/90/919356490.db2.gz GKFUEWPCOADSJO-NSHDSACASA-N 1 1 322.369 -1.290 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NC(=O)NC ZINC001366607178 919357535 /nfs/dbraw/zinc/35/75/35/919357535.db2.gz MZHNMOJKGRJGSI-QMMMGPOBSA-N 1 1 315.330 -2.012 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CC(=O)NC(=O)NC ZINC001366607178 919357551 /nfs/dbraw/zinc/35/75/51/919357551.db2.gz MZHNMOJKGRJGSI-QMMMGPOBSA-N 1 1 315.330 -2.012 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001366642206 919358249 /nfs/dbraw/zinc/35/82/49/919358249.db2.gz YRAURLXDJOXEKV-UHFFFAOYSA-N 1 1 305.342 -1.410 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001366642206 919358261 /nfs/dbraw/zinc/35/82/61/919358261.db2.gz YRAURLXDJOXEKV-UHFFFAOYSA-N 1 1 305.342 -1.410 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1CCCS1(=O)=O ZINC001366611140 919358363 /nfs/dbraw/zinc/35/83/63/919358363.db2.gz CSFSHAOIHIMCSD-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccn(C)c(=O)c1)CC(=O)NC(N)=O ZINC001366619600 919358740 /nfs/dbraw/zinc/35/87/40/919358740.db2.gz HGNVIYVKNFMGLA-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccn(C)c(=O)c1)CC(=O)NC(N)=O ZINC001366619600 919358758 /nfs/dbraw/zinc/35/87/58/919358758.db2.gz HGNVIYVKNFMGLA-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001366633229 919359377 /nfs/dbraw/zinc/35/93/77/919359377.db2.gz GHONVHDBKSQNOW-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654565 919360785 /nfs/dbraw/zinc/36/07/85/919360785.db2.gz KIAZGSWIEJYPEM-UWVGGRQHSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654565 919360798 /nfs/dbraw/zinc/36/07/98/919360798.db2.gz KIAZGSWIEJYPEM-UWVGGRQHSA-N 1 1 323.357 -1.385 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001366674840 919361632 /nfs/dbraw/zinc/36/16/32/919361632.db2.gz XABNFVNFWQDIML-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001366674840 919361647 /nfs/dbraw/zinc/36/16/47/919361647.db2.gz XABNFVNFWQDIML-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)O ZINC001366654985 919361722 /nfs/dbraw/zinc/36/17/22/919361722.db2.gz DQUTVFKCUTWLDU-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(N)=O ZINC001366666677 919363305 /nfs/dbraw/zinc/36/33/05/919363305.db2.gz BWTIZOQPVTZAIW-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)O ZINC001366654918 919363995 /nfs/dbraw/zinc/36/39/95/919363995.db2.gz DQUTVFKCUTWLDU-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695353 919365615 /nfs/dbraw/zinc/36/56/15/919365615.db2.gz FKNDOKDGDMJUBS-ZJUUUORDSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695353 919365631 /nfs/dbraw/zinc/36/56/31/919365631.db2.gz FKNDOKDGDMJUBS-ZJUUUORDSA-N 1 1 324.385 -1.442 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)NC)C1 ZINC001366688684 919365671 /nfs/dbraw/zinc/36/56/71/919365671.db2.gz VOSWSSADHISTHU-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001366695668 919365991 /nfs/dbraw/zinc/36/59/91/919365991.db2.gz HQWUSXRMWICOFJ-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nnn1C ZINC001366693748 919366224 /nfs/dbraw/zinc/36/62/24/919366224.db2.gz SZCZIAVKJWTMIG-VIFPVBQESA-N 1 1 323.357 -1.630 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nnn1C ZINC001366693748 919366241 /nfs/dbraw/zinc/36/62/41/919366241.db2.gz SZCZIAVKJWTMIG-VIFPVBQESA-N 1 1 323.357 -1.630 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366681494 919366279 /nfs/dbraw/zinc/36/62/79/919366279.db2.gz OOHDKHXJQJTDAH-LBPRGKRZSA-N 1 1 311.386 -1.414 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001366684114 919366642 /nfs/dbraw/zinc/36/66/42/919366642.db2.gz CBPVZNBRRFGLJI-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001366696490 919367088 /nfs/dbraw/zinc/36/70/88/919367088.db2.gz MDKCHKMDQPSFHM-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001366684799 919367515 /nfs/dbraw/zinc/36/75/15/919367515.db2.gz HRWUPTUWTCSLNX-GXTWGEPZSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001366681242 919367576 /nfs/dbraw/zinc/36/75/76/919367576.db2.gz OFLQQYFGPQVIEO-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CC[C@H](C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366697307 919368209 /nfs/dbraw/zinc/36/82/09/919368209.db2.gz BBDRTYXTCRCHNO-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001366683611 919368302 /nfs/dbraw/zinc/36/83/02/919368302.db2.gz PLKWKOGIXABNJR-ZJUUUORDSA-N 1 1 323.357 -1.528 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cncn2)C1 ZINC001366681694 919368413 /nfs/dbraw/zinc/36/84/13/919368413.db2.gz JFBAKFYKYDJWGD-SNVBAGLBSA-N 1 1 323.357 -1.699 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001366683521 919368476 /nfs/dbraw/zinc/36/84/76/919368476.db2.gz VVUVRQDOLNYMMA-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366691667 919369116 /nfs/dbraw/zinc/36/91/16/919369116.db2.gz LERMRHZDLLNUPF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001366680232 919369558 /nfs/dbraw/zinc/36/95/58/919369558.db2.gz KTMUNSFEASIOSG-LBPRGKRZSA-N 1 1 321.385 -1.363 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cncn3)C2)C1=O ZINC001366718463 919370229 /nfs/dbraw/zinc/37/02/29/919370229.db2.gz YTAGBATVUXFFRZ-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001366701235 919370286 /nfs/dbraw/zinc/37/02/86/919370286.db2.gz RHCATENGSXDOQE-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001366701235 919370302 /nfs/dbraw/zinc/37/03/02/919370302.db2.gz RHCATENGSXDOQE-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001366753181 919371529 /nfs/dbraw/zinc/37/15/29/919371529.db2.gz ZXUMMCWGKLYNAC-QWRGUYRKSA-N 1 1 300.359 -1.744 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001366751983 919372078 /nfs/dbraw/zinc/37/20/78/919372078.db2.gz CZNDFEOUPQJRFW-CYBMUJFWSA-N 1 1 316.333 -1.110 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001366751983 919372090 /nfs/dbraw/zinc/37/20/90/919372090.db2.gz CZNDFEOUPQJRFW-CYBMUJFWSA-N 1 1 316.333 -1.110 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700498 919372173 /nfs/dbraw/zinc/37/21/73/919372173.db2.gz WCTGTMBSLSLXTP-VIFPVBQESA-N 1 1 308.342 -1.415 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)CC(N)=O ZINC001366722215 919373281 /nfs/dbraw/zinc/37/32/81/919373281.db2.gz OFWLDPYJGVOTFK-UHFFFAOYSA-N 1 1 311.342 -1.738 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)CC(N)=O ZINC001366722215 919373297 /nfs/dbraw/zinc/37/32/97/919373297.db2.gz OFWLDPYJGVOTFK-UHFFFAOYSA-N 1 1 311.342 -1.738 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(N)=O ZINC001366723699 919374038 /nfs/dbraw/zinc/37/40/38/919374038.db2.gz CWKAQVWVBDAEDQ-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(N)=O ZINC001366723699 919374052 /nfs/dbraw/zinc/37/40/52/919374052.db2.gz CWKAQVWVBDAEDQ-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1C)c1nnnn1C ZINC001366771053 919376590 /nfs/dbraw/zinc/37/65/90/919376590.db2.gz CCTAKVZQEBSFQE-UWVGGRQHSA-N 1 1 309.374 -1.060 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](CCCO)C2CC2)c(=O)n1C ZINC001366756008 919377150 /nfs/dbraw/zinc/37/71/50/919377150.db2.gz ACTCKASVCZVQII-UHFFFAOYSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001366761186 919377279 /nfs/dbraw/zinc/37/72/79/919377279.db2.gz UERYRDQJOGUEPD-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001366761186 919377296 /nfs/dbraw/zinc/37/72/96/919377296.db2.gz UERYRDQJOGUEPD-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001366761026 919378722 /nfs/dbraw/zinc/37/87/22/919378722.db2.gz ODTIZYHIZPZVEY-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001366761026 919378733 /nfs/dbraw/zinc/37/87/33/919378733.db2.gz ODTIZYHIZPZVEY-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001366789030 919380156 /nfs/dbraw/zinc/38/01/56/919380156.db2.gz BQDWSIGFNJXQPV-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)c1nncn1C ZINC001366776376 919380535 /nfs/dbraw/zinc/38/05/35/919380535.db2.gz LLOFRFCVTFURNE-UWVGGRQHSA-N 1 1 309.374 -1.052 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001366783689 919380644 /nfs/dbraw/zinc/38/06/44/919380644.db2.gz CGPUGYBIHRRXGD-LLVKDONJSA-N 1 1 313.379 -1.037 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001366849794 919385480 /nfs/dbraw/zinc/38/54/80/919385480.db2.gz DBNWTRZXPWJEFP-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001366849796 919387500 /nfs/dbraw/zinc/38/75/00/919387500.db2.gz DBNWTRZXPWJEFP-MNOVXSKESA-N 1 1 307.416 -1.255 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001366904526 919388645 /nfs/dbraw/zinc/38/86/45/919388645.db2.gz RKLWBJYITSFTIC-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366874684 919389971 /nfs/dbraw/zinc/38/99/71/919389971.db2.gz UTBOCMMZIVRYJO-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001366863790 919390149 /nfs/dbraw/zinc/39/01/49/919390149.db2.gz AAIMHMNPXNPDFS-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001366870288 919390672 /nfs/dbraw/zinc/39/06/72/919390672.db2.gz LVYICQHUCSUPMB-GHMZBOCLSA-N 1 1 323.397 -1.009 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366874687 919391054 /nfs/dbraw/zinc/39/10/54/919391054.db2.gz UTBOCMMZIVRYJO-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366867371 919392652 /nfs/dbraw/zinc/39/26/52/919392652.db2.gz JRXXOFMKIUAVGJ-VIFPVBQESA-N 1 1 321.403 -2.694 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366924119 919397639 /nfs/dbraw/zinc/39/76/39/919397639.db2.gz NHWPRHKEKCAHOZ-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001366930380 919399216 /nfs/dbraw/zinc/39/92/16/919399216.db2.gz ZQVXKEYTVPMLOU-VIFPVBQESA-N 1 1 300.359 -1.926 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001366925550 919399313 /nfs/dbraw/zinc/39/93/13/919399313.db2.gz QKBYCXUFVUNALV-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCCN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001366932995 919402507 /nfs/dbraw/zinc/40/25/07/919402507.db2.gz WNOKDOLDEJFDFA-GFCCVEGCSA-N 1 1 318.443 -1.180 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001366949824 919406596 /nfs/dbraw/zinc/40/65/96/919406596.db2.gz PXASFHOUCWDBJZ-LLVKDONJSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366981689 919414079 /nfs/dbraw/zinc/41/40/79/919414079.db2.gz AIZFKPVLIBGMPW-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO CCNC(=O)CN1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001366985351 919415682 /nfs/dbraw/zinc/41/56/82/919415682.db2.gz UONWZLKWVLAEAY-UHFFFAOYSA-N 1 1 312.414 -1.107 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(C)C ZINC001366992310 919417451 /nfs/dbraw/zinc/41/74/51/919417451.db2.gz CTKYOHSVVWJEHA-QWRGUYRKSA-N 1 1 304.416 -1.019 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1 ZINC001367000839 919419293 /nfs/dbraw/zinc/41/92/93/919419293.db2.gz WEUBZPICYVOVFA-ZDEQEGDKSA-N 1 1 311.382 -1.053 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001367010287 919422561 /nfs/dbraw/zinc/42/25/61/919422561.db2.gz LFVFFUXRIHQZAQ-RYUDHWBXSA-N 1 1 324.385 -1.637 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001367005415 919423086 /nfs/dbraw/zinc/42/30/86/919423086.db2.gz UGGTYADQTXEQMU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001367005415 919423091 /nfs/dbraw/zinc/42/30/91/919423091.db2.gz UGGTYADQTXEQMU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001367006953 919423295 /nfs/dbraw/zinc/42/32/95/919423295.db2.gz BADCFPABXOVAEY-WPRPVWTQSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001367006953 919423300 /nfs/dbraw/zinc/42/33/00/919423300.db2.gz BADCFPABXOVAEY-WPRPVWTQSA-N 1 1 308.342 -1.274 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001367023021 919427814 /nfs/dbraw/zinc/42/78/14/919427814.db2.gz MSWAUNHOWWCUNN-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001367048302 919429849 /nfs/dbraw/zinc/42/98/49/919429849.db2.gz VBIWSRLTPAMITR-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001367053704 919431257 /nfs/dbraw/zinc/43/12/57/919431257.db2.gz MDMJUDAFCPKJCS-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001367053704 919431267 /nfs/dbraw/zinc/43/12/67/919431267.db2.gz MDMJUDAFCPKJCS-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367031139 919431282 /nfs/dbraw/zinc/43/12/82/919431282.db2.gz UMCSVKSJQLIRFK-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367031139 919431287 /nfs/dbraw/zinc/43/12/87/919431287.db2.gz UMCSVKSJQLIRFK-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001367032752 919431602 /nfs/dbraw/zinc/43/16/02/919431602.db2.gz MXJZRBGXOJXWDP-GHMZBOCLSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001367032752 919431614 /nfs/dbraw/zinc/43/16/14/919431614.db2.gz MXJZRBGXOJXWDP-GHMZBOCLSA-N 1 1 309.370 -1.616 20 0 DAADMO CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367073446 919434042 /nfs/dbraw/zinc/43/40/42/919434042.db2.gz LXOAMOZRRJGYAA-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367073446 919434046 /nfs/dbraw/zinc/43/40/46/919434046.db2.gz LXOAMOZRRJGYAA-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001367091884 919434659 /nfs/dbraw/zinc/43/46/59/919434659.db2.gz LNFLAIGTHOMCLR-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001367071357 919434979 /nfs/dbraw/zinc/43/49/79/919434979.db2.gz ZDWPELYTOXDEIY-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001367071357 919434987 /nfs/dbraw/zinc/43/49/87/919434987.db2.gz ZDWPELYTOXDEIY-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001367063848 919435490 /nfs/dbraw/zinc/43/54/90/919435490.db2.gz RHAWBBBEQWSWBO-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCOC)C1 ZINC001367059645 919435625 /nfs/dbraw/zinc/43/56/25/919435625.db2.gz YIIKQBTXMINMRK-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001367072276 919435733 /nfs/dbraw/zinc/43/57/33/919435733.db2.gz OZDQDDUEVHJZOT-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001367121770 919437341 /nfs/dbraw/zinc/43/73/41/919437341.db2.gz CZBXMDGJNCQGGJ-SCZZXKLOSA-N 1 1 323.357 -1.602 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001367100341 919437425 /nfs/dbraw/zinc/43/74/25/919437425.db2.gz MGQJTZLIQXBHDF-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001367190006 919442640 /nfs/dbraw/zinc/44/26/40/919442640.db2.gz LWBFBBFKHCRLDU-BXUZGUMPSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001367252038 919445436 /nfs/dbraw/zinc/44/54/36/919445436.db2.gz FTFMACHLBMUDFZ-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC001367292494 919447659 /nfs/dbraw/zinc/44/76/59/919447659.db2.gz CDDZFZCHQCOSLL-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303567 919451612 /nfs/dbraw/zinc/45/16/12/919451612.db2.gz QNZFTNKDFPKNPG-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303567 919451622 /nfs/dbraw/zinc/45/16/22/919451622.db2.gz QNZFTNKDFPKNPG-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306802 919453541 /nfs/dbraw/zinc/45/35/41/919453541.db2.gz JFKNBDATEAWNEV-YPMHNXCESA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306802 919453549 /nfs/dbraw/zinc/45/35/49/919453549.db2.gz JFKNBDATEAWNEV-YPMHNXCESA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305399 919454745 /nfs/dbraw/zinc/45/47/45/919454745.db2.gz GMCLEMAFJNUJDA-QWRGUYRKSA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305399 919454755 /nfs/dbraw/zinc/45/47/55/919454755.db2.gz GMCLEMAFJNUJDA-QWRGUYRKSA-N 1 1 323.415 -1.747 20 0 DAADMO CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001367338006 919458420 /nfs/dbraw/zinc/45/84/20/919458420.db2.gz ZLRCNZBOLYFFOI-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001367322257 919458624 /nfs/dbraw/zinc/45/86/24/919458624.db2.gz YVBQDLCBWYSRMM-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001367362383 919462215 /nfs/dbraw/zinc/46/22/15/919462215.db2.gz AVQDYEONUQTRGV-VIFPVBQESA-N 1 1 319.387 -1.103 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001367477458 919467580 /nfs/dbraw/zinc/46/75/80/919467580.db2.gz BAATXZQRBAPRMF-VHSXEESVSA-N 1 1 324.341 -1.102 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001367485169 919467770 /nfs/dbraw/zinc/46/77/70/919467770.db2.gz PIZFEYLGKCLLFL-VXGBXAGGSA-N 1 1 318.443 -1.034 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367501277 919467911 /nfs/dbraw/zinc/46/79/11/919467911.db2.gz KUPFPNCUKAAKQK-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367501277 919467920 /nfs/dbraw/zinc/46/79/20/919467920.db2.gz KUPFPNCUKAAKQK-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1ccnn1C ZINC001367501168 919470089 /nfs/dbraw/zinc/47/00/89/919470089.db2.gz CLUBSWPDEZDXDI-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1ccnn1C ZINC001367501168 919470096 /nfs/dbraw/zinc/47/00/96/919470096.db2.gz CLUBSWPDEZDXDI-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001367525741 919472102 /nfs/dbraw/zinc/47/21/02/919472102.db2.gz SHINRDRMHSHTMZ-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367538407 919472759 /nfs/dbraw/zinc/47/27/59/919472759.db2.gz XUXRWTGMVKXHKM-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367538407 919472772 /nfs/dbraw/zinc/47/27/72/919472772.db2.gz XUXRWTGMVKXHKM-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517023 919473053 /nfs/dbraw/zinc/47/30/53/919473053.db2.gz CTAHJUNXKQQOCK-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517023 919473061 /nfs/dbraw/zinc/47/30/61/919473061.db2.gz CTAHJUNXKQQOCK-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001367519166 919473112 /nfs/dbraw/zinc/47/31/12/919473112.db2.gz SCWVHELGBLGEDH-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001367519164 919474109 /nfs/dbraw/zinc/47/41/09/919474109.db2.gz SCWVHELGBLGEDH-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001367551533 919476378 /nfs/dbraw/zinc/47/63/78/919476378.db2.gz JZDBKTVZMCBLJV-LLVKDONJSA-N 1 1 312.370 -1.209 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)Cn1cncn1 ZINC001367551504 919477685 /nfs/dbraw/zinc/47/76/85/919477685.db2.gz JEVKXFHXZPATQM-ZDUSSCGKSA-N 1 1 321.385 -1.074 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)[C@H]1CCCO1 ZINC001367566210 919479709 /nfs/dbraw/zinc/47/97/09/919479709.db2.gz DFXKBLOSIIJMLU-WDEREUQCSA-N 1 1 315.349 -1.007 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)[C@H]1CCCO1 ZINC001367566203 919480794 /nfs/dbraw/zinc/48/07/94/919480794.db2.gz DFXKBLOSIIJMLU-GHMZBOCLSA-N 1 1 315.349 -1.007 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367571586 919480907 /nfs/dbraw/zinc/48/09/07/919480907.db2.gz KYODPGGPFJXSBY-CMPLNLGQSA-N 1 1 309.370 -1.124 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367565314 919481099 /nfs/dbraw/zinc/48/10/99/919481099.db2.gz IPOQQMGXDRSRFB-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001367565025 919481120 /nfs/dbraw/zinc/48/11/20/919481120.db2.gz OKLAMUPJSBRVKX-MRVPVSSYSA-N 1 1 311.346 -1.347 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001367565025 919481126 /nfs/dbraw/zinc/48/11/26/919481126.db2.gz OKLAMUPJSBRVKX-MRVPVSSYSA-N 1 1 311.346 -1.347 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCCO1 ZINC001367570275 919481191 /nfs/dbraw/zinc/48/11/91/919481191.db2.gz IYMJHSDZJUVMDK-QWRGUYRKSA-N 1 1 310.358 -1.246 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)c1nnnn1C ZINC001367574565 919482875 /nfs/dbraw/zinc/48/28/75/919482875.db2.gz WGGNSCZRLXUHQK-SCZZXKLOSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001367573499 919485252 /nfs/dbraw/zinc/48/52/52/919485252.db2.gz OOWSDLWPYGAOEC-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001367573503 919485767 /nfs/dbraw/zinc/48/57/67/919485767.db2.gz OPRDAYNTOXIQMB-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001367576005 919486928 /nfs/dbraw/zinc/48/69/28/919486928.db2.gz YZCNLTOBOVBBNW-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2ccn(C)n2)n1 ZINC001367577357 919488960 /nfs/dbraw/zinc/48/89/60/919488960.db2.gz FAUXTNQOFLHMJZ-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)nn1 ZINC001367578453 919489101 /nfs/dbraw/zinc/48/91/01/919489101.db2.gz CJNLSWZRCKJTKZ-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001367576896 919489308 /nfs/dbraw/zinc/48/93/08/919489308.db2.gz DJKOFTAMNXEIES-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]n1 ZINC001367582585 919490923 /nfs/dbraw/zinc/49/09/23/919490923.db2.gz JBQTUNKHUWKBIJ-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001367582008 919491588 /nfs/dbraw/zinc/49/15/88/919491588.db2.gz NEGGGARFHFLBCX-SNVBAGLBSA-N 1 1 308.346 -1.949 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cnn1 ZINC001367582210 919491878 /nfs/dbraw/zinc/49/18/78/919491878.db2.gz MWBVYCQWIMAPAH-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001367584841 919495334 /nfs/dbraw/zinc/49/53/34/919495334.db2.gz RKFWLEQXVKKYJY-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001367587529 919498460 /nfs/dbraw/zinc/49/84/60/919498460.db2.gz RZGRHOXRFOXEMA-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001367587458 919498744 /nfs/dbraw/zinc/49/87/44/919498744.db2.gz OZDDZPGWRPEEOB-GFCCVEGCSA-N 1 1 307.358 -1.642 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1)c1nnnn1C ZINC001367588200 919501033 /nfs/dbraw/zinc/50/10/33/919501033.db2.gz ZTZVFFAHBUEBMA-KOLCDFICSA-N 1 1 322.373 -1.686 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001367589686 919501534 /nfs/dbraw/zinc/50/15/34/919501534.db2.gz VFEZWSJUWTTYAJ-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)[C@H]1CCOC1 ZINC001367591126 919502489 /nfs/dbraw/zinc/50/24/89/919502489.db2.gz XLBDICSQKHFVDJ-QWRGUYRKSA-N 1 1 315.349 -1.149 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)c1 ZINC001367588719 919502965 /nfs/dbraw/zinc/50/29/65/919502965.db2.gz RORYPLOBPGQIIX-NSHDSACASA-N 1 1 307.358 -1.115 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594839 919510646 /nfs/dbraw/zinc/51/06/46/919510646.db2.gz SMKUZAQNIQYHKJ-QWHCGFSZSA-N 1 1 312.414 -1.184 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001367598591 919512889 /nfs/dbraw/zinc/51/28/89/919512889.db2.gz FZKABAHJAYFKAI-YUMQZZPRSA-N 1 1 314.371 -1.905 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001367598554 919513251 /nfs/dbraw/zinc/51/32/51/919513251.db2.gz FZKABAHJAYFKAI-HTQZYQBOSA-N 1 1 314.371 -1.905 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)c1nncn1C ZINC001367602392 919515849 /nfs/dbraw/zinc/51/58/49/919515849.db2.gz OOPOGJBULNWQOE-IUCAKERBSA-N 1 1 323.357 -1.304 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001367602968 919517638 /nfs/dbraw/zinc/51/76/38/919517638.db2.gz SOQOMRWEDVWJGH-BDAKNGLRSA-N 1 1 311.346 -2.697 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001367604443 919519507 /nfs/dbraw/zinc/51/95/07/919519507.db2.gz XUFKALUKBNGPAA-HZMBPMFUSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001367606565 919519792 /nfs/dbraw/zinc/51/97/92/919519792.db2.gz LGWNLVWMFCFADN-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)n1 ZINC001367604940 919520438 /nfs/dbraw/zinc/52/04/38/919520438.db2.gz WHRAUQUCUDQOJC-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001367604445 919520820 /nfs/dbraw/zinc/52/08/20/919520820.db2.gz XUFKALUKBNGPAA-IINYFYTJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2=NC(=O)N(C)C2)cn1 ZINC001367606496 919522545 /nfs/dbraw/zinc/52/25/45/919522545.db2.gz WEDSLCBWBWTDHO-JTQLQIEISA-N 1 1 308.342 -1.260 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367607933 919525397 /nfs/dbraw/zinc/52/53/97/919525397.db2.gz NQXSSYJDTAYBJD-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)NC1CCCC1 ZINC001367607645 919525901 /nfs/dbraw/zinc/52/59/01/919525901.db2.gz MQXALCNJQMFCCF-ONGXEEELSA-N 1 1 324.385 -1.068 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001367613071 919528278 /nfs/dbraw/zinc/52/82/78/919528278.db2.gz OYNWUHQPMIBVKT-RYUDHWBXSA-N 1 1 319.369 -1.202 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nonc1C ZINC001367616878 919530553 /nfs/dbraw/zinc/53/05/53/919530553.db2.gz OATXAIYHYITERS-SECBINFHSA-N 1 1 310.314 -1.121 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001367617711 919530915 /nfs/dbraw/zinc/53/09/15/919530915.db2.gz VVAYOFKQVISJJZ-SECBINFHSA-N 1 1 320.357 -1.309 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)c1nnnn1C ZINC001367614844 919531139 /nfs/dbraw/zinc/53/11/39/919531139.db2.gz GAWQZBXNUCQONG-SCZZXKLOSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)[nH]1 ZINC001367617132 919532087 /nfs/dbraw/zinc/53/20/87/919532087.db2.gz MCDAUTLKKMEELF-SECBINFHSA-N 1 1 308.346 -1.569 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001367614772 919532919 /nfs/dbraw/zinc/53/29/19/919532919.db2.gz GWRDRYOMFBILKA-AXFHLTTASA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2nnnn2C2CC2)C1 ZINC001367622826 919534725 /nfs/dbraw/zinc/53/47/25/919534725.db2.gz HYYFSBAYTSWHLR-ZYHUDNBSSA-N 1 1 323.401 -1.474 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001367620141 919534977 /nfs/dbraw/zinc/53/49/77/919534977.db2.gz JADUSAKOMWWGMQ-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001367619444 919535457 /nfs/dbraw/zinc/53/54/57/919535457.db2.gz IOTUUKPIQTZKSK-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(CC)nn2)nn1 ZINC001367621366 919536547 /nfs/dbraw/zinc/53/65/47/919536547.db2.gz VGYKDPZGPMYOAN-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2nnnn2C2CC2)C1 ZINC001367622807 919537397 /nfs/dbraw/zinc/53/73/97/919537397.db2.gz HYYFSBAYTSWHLR-JQWIXIFHSA-N 1 1 323.401 -1.474 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)ncn1 ZINC001367622727 919537542 /nfs/dbraw/zinc/53/75/42/919537542.db2.gz NXPHPKZLSCUBKO-LLVKDONJSA-N 1 1 305.342 -1.287 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001367625708 919539737 /nfs/dbraw/zinc/53/97/37/919539737.db2.gz RILGLIOWGXVIEM-GHMZBOCLSA-N 1 1 324.385 -1.577 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)c1cccnc1 ZINC001367626413 919539801 /nfs/dbraw/zinc/53/98/01/919539801.db2.gz UXQCFHMJJHMQNQ-ZYHUDNBSSA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)c1cccnc1 ZINC001367626386 919540258 /nfs/dbraw/zinc/54/02/58/919540258.db2.gz UXQCFHMJJHMQNQ-CMPLNLGQSA-N 1 1 319.369 -1.025 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001367625724 919541420 /nfs/dbraw/zinc/54/14/20/919541420.db2.gz RILGLIOWGXVIEM-WDEREUQCSA-N 1 1 324.385 -1.577 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001367629478 919544316 /nfs/dbraw/zinc/54/43/16/919544316.db2.gz ZCMPCXPNABKDDV-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367670558 919550721 /nfs/dbraw/zinc/55/07/21/919550721.db2.gz XSZFIQIWGYWDTI-GHMZBOCLSA-N 1 1 324.385 -1.467 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001367656703 919551637 /nfs/dbraw/zinc/55/16/37/919551637.db2.gz KXPRTOSBCFHPFA-MRVPVSSYSA-N 1 1 311.346 -1.042 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CN2CCOCC2=O)nn1 ZINC001367673945 919553949 /nfs/dbraw/zinc/55/39/49/919553949.db2.gz BFJYPKWJLPSWIN-LLVKDONJSA-N 1 1 324.385 -1.249 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001367673328 919554004 /nfs/dbraw/zinc/55/40/04/919554004.db2.gz CYKUEXMCWDCQQL-SECBINFHSA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001367686473 919554225 /nfs/dbraw/zinc/55/42/25/919554225.db2.gz ZEYJOXDPZUBOCG-ZJUUUORDSA-N 1 1 322.373 -1.434 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nocc1C ZINC001367688445 919555304 /nfs/dbraw/zinc/55/53/04/919555304.db2.gz MZGXHKTXPXKHBI-SECBINFHSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCOCC1=O ZINC001367676599 919555860 /nfs/dbraw/zinc/55/58/60/919555860.db2.gz PWHBCYMSZMNTGI-SECBINFHSA-N 1 1 311.346 -2.337 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367733355 919561745 /nfs/dbraw/zinc/56/17/45/919561745.db2.gz GFZYXEUYAAZTJQ-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001367730957 919563476 /nfs/dbraw/zinc/56/34/76/919563476.db2.gz GZZMORGGTKKZBD-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367748561 919566491 /nfs/dbraw/zinc/56/64/91/919566491.db2.gz FZORBHUSRFPGQH-UWVGGRQHSA-N 1 1 324.389 -1.299 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367783932 919569799 /nfs/dbraw/zinc/56/97/99/919569799.db2.gz AYNMPZXTPJOITO-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367783932 919569810 /nfs/dbraw/zinc/56/98/10/919569810.db2.gz AYNMPZXTPJOITO-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)NC)nn1 ZINC001367771752 919571153 /nfs/dbraw/zinc/57/11/53/919571153.db2.gz PAIHBSONHHAJBX-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367783929 919571480 /nfs/dbraw/zinc/57/14/80/919571480.db2.gz AYNMPZXTPJOITO-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001367783929 919571490 /nfs/dbraw/zinc/57/14/90/919571490.db2.gz AYNMPZXTPJOITO-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001367815567 919572886 /nfs/dbraw/zinc/57/28/86/919572886.db2.gz BJPKWQICUMALJN-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001367815567 919572905 /nfs/dbraw/zinc/57/29/05/919572905.db2.gz BJPKWQICUMALJN-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367824895 919573123 /nfs/dbraw/zinc/57/31/23/919573123.db2.gz DCGGGYZPQGDGTK-UWVGGRQHSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367824895 919573131 /nfs/dbraw/zinc/57/31/31/919573131.db2.gz DCGGGYZPQGDGTK-UWVGGRQHSA-N 1 1 320.415 -1.461 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367825681 919573272 /nfs/dbraw/zinc/57/32/72/919573272.db2.gz HDIYTVIQTRDRMF-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367825681 919573289 /nfs/dbraw/zinc/57/32/89/919573289.db2.gz HDIYTVIQTRDRMF-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001367830308 919574415 /nfs/dbraw/zinc/57/44/15/919574415.db2.gz HVXKEHOBMSBIGL-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001367830308 919574432 /nfs/dbraw/zinc/57/44/32/919574432.db2.gz HVXKEHOBMSBIGL-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001367824893 919574769 /nfs/dbraw/zinc/57/47/69/919574769.db2.gz DCGGGYZPQGDGTK-NXEZZACHSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001367824893 919574773 /nfs/dbraw/zinc/57/47/73/919574773.db2.gz DCGGGYZPQGDGTK-NXEZZACHSA-N 1 1 320.415 -1.461 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001367806891 919574910 /nfs/dbraw/zinc/57/49/10/919574910.db2.gz RHGYSQWKIXEBCP-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001367806891 919574920 /nfs/dbraw/zinc/57/49/20/919574920.db2.gz RHGYSQWKIXEBCP-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001367824897 919575880 /nfs/dbraw/zinc/57/58/80/919575880.db2.gz DCGGGYZPQGDGTK-VHSXEESVSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001367824897 919575892 /nfs/dbraw/zinc/57/58/92/919575892.db2.gz DCGGGYZPQGDGTK-VHSXEESVSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnnn1C ZINC001367811533 919576064 /nfs/dbraw/zinc/57/60/64/919576064.db2.gz XFWVSGXSRBQHBI-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnnn1C ZINC001367811533 919576072 /nfs/dbraw/zinc/57/60/72/919576072.db2.gz XFWVSGXSRBQHBI-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367844220 919577496 /nfs/dbraw/zinc/57/74/96/919577496.db2.gz FTZLPDMXKHAVBU-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367847631 919578282 /nfs/dbraw/zinc/57/82/82/919578282.db2.gz PFFINHHESZVAGJ-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367847631 919578296 /nfs/dbraw/zinc/57/82/96/919578296.db2.gz PFFINHHESZVAGJ-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001367837873 919578489 /nfs/dbraw/zinc/57/84/89/919578489.db2.gz JGOKAISEYKBSID-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001367837873 919578501 /nfs/dbraw/zinc/57/85/01/919578501.db2.gz JGOKAISEYKBSID-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001367843080 919579020 /nfs/dbraw/zinc/57/90/20/919579020.db2.gz ADOROFNHTRCWCX-SECBINFHSA-N 1 1 318.403 -1.667 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001367843080 919579031 /nfs/dbraw/zinc/57/90/31/919579031.db2.gz ADOROFNHTRCWCX-SECBINFHSA-N 1 1 318.403 -1.667 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)n1 ZINC001367857537 919579177 /nfs/dbraw/zinc/57/91/77/919579177.db2.gz WBRLWHAAOSWCAC-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)n1 ZINC001367857537 919579189 /nfs/dbraw/zinc/57/91/89/919579189.db2.gz WBRLWHAAOSWCAC-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001367857275 919579930 /nfs/dbraw/zinc/57/99/30/919579930.db2.gz ZKARVWITSOLTPT-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367866822 919581789 /nfs/dbraw/zinc/58/17/89/919581789.db2.gz KEMRNNGMRGTDHK-UTUOFQBUSA-N 1 1 316.402 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001367903372 919583866 /nfs/dbraw/zinc/58/38/66/919583866.db2.gz MTKBVEDPLFLKQG-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001367903372 919583875 /nfs/dbraw/zinc/58/38/75/919583875.db2.gz MTKBVEDPLFLKQG-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)CC1=O ZINC001367909585 919585067 /nfs/dbraw/zinc/58/50/67/919585067.db2.gz ZTPICEVOGRPGLS-MNOVXSKESA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922952 919586196 /nfs/dbraw/zinc/58/61/96/919586196.db2.gz KGDXSUYUFCSXFC-DGCLKSJQSA-N 1 1 312.414 -1.076 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001367898609 919586325 /nfs/dbraw/zinc/58/63/25/919586325.db2.gz XYHKWCFCTGRJKV-QWRGUYRKSA-N 1 1 310.358 -1.390 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](NC(=O)c2nnn(C)n2)C2CC2)[nH]1 ZINC001367903081 919586710 /nfs/dbraw/zinc/58/67/10/919586710.db2.gz GOPRGOPHJZYPFJ-VIFPVBQESA-N 1 1 305.346 -1.065 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001367942199 919590669 /nfs/dbraw/zinc/59/06/69/919590669.db2.gz XNQQASAFTPAFAG-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)n1 ZINC001367934495 919590894 /nfs/dbraw/zinc/59/08/94/919590894.db2.gz FZWCHNAXLOHHBW-GFCCVEGCSA-N 1 1 319.373 -1.228 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)n1 ZINC001367934495 919590902 /nfs/dbraw/zinc/59/09/02/919590902.db2.gz FZWCHNAXLOHHBW-GFCCVEGCSA-N 1 1 319.373 -1.228 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCOC2)CC1=O ZINC001367953999 919591597 /nfs/dbraw/zinc/59/15/97/919591597.db2.gz FOCLNKQUVFZXHS-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCOC2)CC1=O ZINC001367953998 919591645 /nfs/dbraw/zinc/59/16/45/919591645.db2.gz FOCLNKQUVFZXHS-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001367955544 919591892 /nfs/dbraw/zinc/59/18/92/919591892.db2.gz UWNYEAUTBCTYLW-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001367955544 919591910 /nfs/dbraw/zinc/59/19/10/919591910.db2.gz UWNYEAUTBCTYLW-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367955145 919592501 /nfs/dbraw/zinc/59/25/01/919592501.db2.gz HENHHDLMUDISLA-LLVKDONJSA-N 1 1 300.359 -1.924 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367954056 919592788 /nfs/dbraw/zinc/59/27/88/919592788.db2.gz GCSNKTXPBHSFQA-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001367955541 919593213 /nfs/dbraw/zinc/59/32/13/919593213.db2.gz UWNYEAUTBCTYLW-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001367955541 919593227 /nfs/dbraw/zinc/59/32/27/919593227.db2.gz UWNYEAUTBCTYLW-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953339 919593708 /nfs/dbraw/zinc/59/37/08/919593708.db2.gz QRNXUPYYPDHCMJ-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCNS(C)(=O)=O ZINC001367948700 919593734 /nfs/dbraw/zinc/59/37/34/919593734.db2.gz HOFFVBWUVITUHD-NWDGAFQWSA-N 1 1 318.443 -1.180 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367955160 919594043 /nfs/dbraw/zinc/59/40/43/919594043.db2.gz HENHHDLMUDISLA-NSHDSACASA-N 1 1 300.359 -1.924 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001367966561 919597636 /nfs/dbraw/zinc/59/76/36/919597636.db2.gz HMONQWJNJRSAAQ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001367994266 919598497 /nfs/dbraw/zinc/59/84/97/919598497.db2.gz YXHJKYZZBCUZJJ-ZJUUUORDSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)n1cncn1 ZINC001368000789 919599565 /nfs/dbraw/zinc/59/95/65/919599565.db2.gz UKNURDURFIPIAQ-SECBINFHSA-N 1 1 320.357 -1.301 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CCC(=O)NC3)CC2)nc1=O ZINC001368016605 919602920 /nfs/dbraw/zinc/60/29/20/919602920.db2.gz YJCNROMBAUUSLA-SECBINFHSA-N 1 1 322.369 -1.627 20 0 DAADMO CN1C[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC1=O ZINC001368006617 919604261 /nfs/dbraw/zinc/60/42/61/919604261.db2.gz UUNWUEWYNVOTEL-SECBINFHSA-N 1 1 322.369 -1.675 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)NC[C@H]1CCOC1 ZINC001368005044 919604657 /nfs/dbraw/zinc/60/46/57/919604657.db2.gz GEOMPBJDZIEMOE-SNVBAGLBSA-N 1 1 322.369 -1.191 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)c1nncn1C ZINC001368022509 919605088 /nfs/dbraw/zinc/60/50/88/919605088.db2.gz LTHREKFHUQZFMC-IUCAKERBSA-N 1 1 307.358 -1.204 20 0 DAADMO CC(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001368061720 919606828 /nfs/dbraw/zinc/60/68/28/919606828.db2.gz LZFOFHDHLZNRIB-CYBMUJFWSA-N 1 1 309.370 -1.477 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001368052890 919607480 /nfs/dbraw/zinc/60/74/80/919607480.db2.gz NBJUYCHEPONQIC-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001368052890 919607494 /nfs/dbraw/zinc/60/74/94/919607494.db2.gz NBJUYCHEPONQIC-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001368060965 919608603 /nfs/dbraw/zinc/60/86/03/919608603.db2.gz DBOOJFPVIUSXFK-JSGCOSHPSA-N 1 1 324.385 -1.395 20 0 DAADMO O=C(NCC1([NH2+]Cc2cnns2)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001368032037 919608975 /nfs/dbraw/zinc/60/89/75/919608975.db2.gz RZZMWUGYMBMSPQ-QMMMGPOBSA-N 1 1 324.366 -1.125 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CNC(=O)NC)C2)C1 ZINC001368065676 919609033 /nfs/dbraw/zinc/60/90/33/919609033.db2.gz KNTMITWHDQJORA-CQSZACIVSA-N 1 1 311.386 -1.414 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCOCC2=O)C1 ZINC001368063612 919609722 /nfs/dbraw/zinc/60/97/22/919609722.db2.gz CPNJCYPDYLRFTH-GFCCVEGCSA-N 1 1 315.370 -2.005 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C[C@H](O)COC)C2)C1 ZINC001368088584 919614229 /nfs/dbraw/zinc/61/42/29/919614229.db2.gz KXXVHWSZXDCBKU-UONOGXRCSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C[C@H](O)COC)C2)C1 ZINC001368088584 919614237 /nfs/dbraw/zinc/61/42/37/919614237.db2.gz KXXVHWSZXDCBKU-UONOGXRCSA-N 1 1 315.414 -1.143 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001368089026 919614932 /nfs/dbraw/zinc/61/49/32/919614932.db2.gz MYDXNODOXCTWLB-JTQLQIEISA-N 1 1 321.385 -1.034 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001368118693 919618748 /nfs/dbraw/zinc/61/87/48/919618748.db2.gz RLBNEXCPYDONSO-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169593 919621865 /nfs/dbraw/zinc/62/18/65/919621865.db2.gz DSYOUBCAZIKNJO-NOZJJQNGSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169593 919621873 /nfs/dbraw/zinc/62/18/73/919621873.db2.gz DSYOUBCAZIKNJO-NOZJJQNGSA-N 1 1 323.357 -1.558 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368170402 919621915 /nfs/dbraw/zinc/62/19/15/919621915.db2.gz LXBHVUULUOTLTH-LBPRGKRZSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368170402 919621928 /nfs/dbraw/zinc/62/19/28/919621928.db2.gz LXBHVUULUOTLTH-LBPRGKRZSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)C2CC2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368156696 919623198 /nfs/dbraw/zinc/62/31/98/919623198.db2.gz MCNHPADCAUEWBY-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)C2CC2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368156696 919623209 /nfs/dbraw/zinc/62/32/09/919623209.db2.gz MCNHPADCAUEWBY-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158301 919623281 /nfs/dbraw/zinc/62/32/81/919623281.db2.gz CDNPHEDTPKCFFQ-QMTHXVAHSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158301 919623286 /nfs/dbraw/zinc/62/32/86/919623286.db2.gz CDNPHEDTPKCFFQ-QMTHXVAHSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001368151158 919623388 /nfs/dbraw/zinc/62/33/88/919623388.db2.gz JCKWGUMWABGPHK-ABAIWWIYSA-N 1 1 324.381 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001368159831 919623402 /nfs/dbraw/zinc/62/34/02/919623402.db2.gz MWYOYBYQORILRZ-AMIZOPFISA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001368159831 919623406 /nfs/dbraw/zinc/62/34/06/919623406.db2.gz MWYOYBYQORILRZ-AMIZOPFISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368145886 919623562 /nfs/dbraw/zinc/62/35/62/919623562.db2.gz OEXXUGSLHGZGSW-RYUDHWBXSA-N 1 1 313.402 -1.746 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001368151869 919623791 /nfs/dbraw/zinc/62/37/91/919623791.db2.gz JVAGXJCZWXXLMG-CQSZACIVSA-N 1 1 323.353 -2.387 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001368151869 919623798 /nfs/dbraw/zinc/62/37/98/919623798.db2.gz JVAGXJCZWXXLMG-CQSZACIVSA-N 1 1 323.353 -2.387 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001368163348 919623840 /nfs/dbraw/zinc/62/38/40/919623840.db2.gz YGHNSNVPUFTPEM-ZDUSSCGKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001368163348 919623851 /nfs/dbraw/zinc/62/38/51/919623851.db2.gz YGHNSNVPUFTPEM-ZDUSSCGKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163618 919623867 /nfs/dbraw/zinc/62/38/67/919623867.db2.gz QFNZMYWDXPVWLB-IINYFYTJSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163618 919623875 /nfs/dbraw/zinc/62/38/75/919623875.db2.gz QFNZMYWDXPVWLB-IINYFYTJSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)C2CC2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368156726 919624026 /nfs/dbraw/zinc/62/40/26/919624026.db2.gz MCNHPADCAUEWBY-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)C2CC2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368156726 919624039 /nfs/dbraw/zinc/62/40/39/919624039.db2.gz MCNHPADCAUEWBY-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)Cc2c[nH]cn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368180510 919626959 /nfs/dbraw/zinc/62/69/59/919626959.db2.gz VPHGWDKZHKQDQI-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@@]1(NC(=O)Cc2c[nH]cn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368180510 919626974 /nfs/dbraw/zinc/62/69/74/919626974.db2.gz VPHGWDKZHKQDQI-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO O=C(NCC1([NH2+]Cc2cnon2)CCOCC1)[C@@H]1CNC(=O)N1 ZINC001368235067 919627529 /nfs/dbraw/zinc/62/75/29/919627529.db2.gz ZDAQORIDEXBZLU-JTQLQIEISA-N 1 1 324.341 -1.494 20 0 DAADMO C[C@@]1(NC(=O)Cn2cncn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368174954 919628281 /nfs/dbraw/zinc/62/82/81/919628281.db2.gz LZHIVNCLAWXYCI-GFCCVEGCSA-N 1 1 309.330 -1.946 20 0 DAADMO C[C@@]1(NC(=O)Cn2cncn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368174954 919628302 /nfs/dbraw/zinc/62/83/02/919628302.db2.gz LZHIVNCLAWXYCI-GFCCVEGCSA-N 1 1 309.330 -1.946 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368244929 919630210 /nfs/dbraw/zinc/63/02/10/919630210.db2.gz KPOLYPBZPBCRFC-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368244929 919630218 /nfs/dbraw/zinc/63/02/18/919630218.db2.gz KPOLYPBZPBCRFC-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368239629 919631100 /nfs/dbraw/zinc/63/11/00/919631100.db2.gz GUUMGNPYEAZKKG-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368239629 919631110 /nfs/dbraw/zinc/63/11/10/919631110.db2.gz GUUMGNPYEAZKKG-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001368240725 919631328 /nfs/dbraw/zinc/63/13/28/919631328.db2.gz UTBLRCYRHKRUBV-FZMZJTMJSA-N 1 1 312.370 -2.094 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001368244593 919631361 /nfs/dbraw/zinc/63/13/61/919631361.db2.gz JTWRQQSMVIQGPF-RISCZKNCSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001368244593 919631370 /nfs/dbraw/zinc/63/13/70/919631370.db2.gz JTWRQQSMVIQGPF-RISCZKNCSA-N 1 1 307.354 -1.227 20 0 DAADMO Cn1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001368243389 919631750 /nfs/dbraw/zinc/63/17/50/919631750.db2.gz GDZYHJZKTZMFPV-SWLSCSKDSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001368243389 919631760 /nfs/dbraw/zinc/63/17/60/919631760.db2.gz GDZYHJZKTZMFPV-SWLSCSKDSA-N 1 1 321.381 -1.596 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCOC)C1 ZINC001368244852 919632697 /nfs/dbraw/zinc/63/26/97/919632697.db2.gz HRIVLIZZPZVCHM-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCOC)C1 ZINC001368244852 919632707 /nfs/dbraw/zinc/63/27/07/919632707.db2.gz HRIVLIZZPZVCHM-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO Cn1cccc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368248715 919634209 /nfs/dbraw/zinc/63/42/09/919634209.db2.gz BXTKFSBAGWMORM-CQSZACIVSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368248715 919634221 /nfs/dbraw/zinc/63/42/21/919634221.db2.gz BXTKFSBAGWMORM-CQSZACIVSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cnnc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368249094 919634509 /nfs/dbraw/zinc/63/45/09/919634509.db2.gz SYCLLOJLARFIFB-WFASDCNBSA-N 1 1 322.413 -1.038 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001368245949 919634603 /nfs/dbraw/zinc/63/46/03/919634603.db2.gz IWOUNGXSMAATGM-NOZJJQNGSA-N 1 1 300.359 -1.207 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001368245949 919634612 /nfs/dbraw/zinc/63/46/12/919634612.db2.gz IWOUNGXSMAATGM-NOZJJQNGSA-N 1 1 300.359 -1.207 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368249521 919634924 /nfs/dbraw/zinc/63/49/24/919634924.db2.gz LKCPHWXMAWLEFW-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368249521 919634929 /nfs/dbraw/zinc/63/49/29/919634929.db2.gz LKCPHWXMAWLEFW-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001368247119 919635915 /nfs/dbraw/zinc/63/59/15/919635915.db2.gz PGEBNBNSWMRBCN-YGRLFVJLSA-N 1 1 320.353 -1.328 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001368246072 919636262 /nfs/dbraw/zinc/63/62/62/919636262.db2.gz LQOFKMNCCADMSU-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001368246072 919636270 /nfs/dbraw/zinc/63/62/70/919636270.db2.gz LQOFKMNCCADMSU-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COC)C1 ZINC001368249357 919636840 /nfs/dbraw/zinc/63/68/40/919636840.db2.gz NKAVIYOZYRCPPY-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COC)C1 ZINC001368249357 919636854 /nfs/dbraw/zinc/63/68/54/919636854.db2.gz NKAVIYOZYRCPPY-CYBMUJFWSA-N 1 1 316.358 -1.969 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001368247103 919636883 /nfs/dbraw/zinc/63/68/83/919636883.db2.gz PGEBNBNSWMRBCN-HZMBPMFUSA-N 1 1 320.353 -1.328 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001368251166 919638745 /nfs/dbraw/zinc/63/87/45/919638745.db2.gz YRDQSQRZEDJMFX-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001368250748 919638849 /nfs/dbraw/zinc/63/88/49/919638849.db2.gz NWDMTJGJJVFDHD-SMDDNHRTSA-N 1 1 314.386 -1.495 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251044 919639116 /nfs/dbraw/zinc/63/91/16/919639116.db2.gz NWRPEWMRDFJVAE-RNCFNFMXSA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251044 919639131 /nfs/dbraw/zinc/63/91/31/919639131.db2.gz NWRPEWMRDFJVAE-RNCFNFMXSA-N 1 1 310.358 -1.754 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001368250976 919639554 /nfs/dbraw/zinc/63/95/54/919639554.db2.gz NCIOBLGWOSXXNN-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251047 919640603 /nfs/dbraw/zinc/64/06/03/919640603.db2.gz NWRPEWMRDFJVAE-ZANVPECISA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251047 919640613 /nfs/dbraw/zinc/64/06/13/919640613.db2.gz NWRPEWMRDFJVAE-ZANVPECISA-N 1 1 310.358 -1.754 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1ccc2n[nH]nc2n1 ZINC001368253046 919640858 /nfs/dbraw/zinc/64/08/58/919640858.db2.gz RSHAAGFISKOSNE-AWEZNQCLSA-N 1 1 320.353 -1.098 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001368253915 919641369 /nfs/dbraw/zinc/64/13/69/919641369.db2.gz RIIMQLRHZYBNKM-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001368253915 919641378 /nfs/dbraw/zinc/64/13/78/919641378.db2.gz RIIMQLRHZYBNKM-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001368252605 919641549 /nfs/dbraw/zinc/64/15/49/919641549.db2.gz SUXNRSPQQRMBKZ-LLVKDONJSA-N 1 1 308.404 -1.997 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251042 919641576 /nfs/dbraw/zinc/64/15/76/919641576.db2.gz NWRPEWMRDFJVAE-NOZJJQNGSA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251042 919641587 /nfs/dbraw/zinc/64/15/87/919641587.db2.gz NWRPEWMRDFJVAE-NOZJJQNGSA-N 1 1 310.358 -1.754 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(=O)NC)C1 ZINC001368259289 919642541 /nfs/dbraw/zinc/64/25/41/919642541.db2.gz ZANGCZGEGAXTEA-ZDUSSCGKSA-N 1 1 315.374 -2.396 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(=O)NC)C1 ZINC001368259289 919642552 /nfs/dbraw/zinc/64/25/52/919642552.db2.gz ZANGCZGEGAXTEA-ZDUSSCGKSA-N 1 1 315.374 -2.396 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](C(C)C)C1 ZINC001368261623 919643502 /nfs/dbraw/zinc/64/35/02/919643502.db2.gz OKIVPAGSWBENNP-AWEZNQCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001368260233 919643652 /nfs/dbraw/zinc/64/36/52/919643652.db2.gz CRVMBCHOPYWWNI-CRQFQMBKSA-N 1 1 323.393 -1.338 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001368258704 919643978 /nfs/dbraw/zinc/64/39/78/919643978.db2.gz OHUGNHWQVQDIJD-BXUZGUMPSA-N 1 1 314.386 -2.648 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001368260154 919644836 /nfs/dbraw/zinc/64/48/36/919644836.db2.gz MNKFCUIBWNOWFZ-ZDUSSCGKSA-N 1 1 302.350 -1.076 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001368260154 919644845 /nfs/dbraw/zinc/64/48/45/919644845.db2.gz MNKFCUIBWNOWFZ-ZDUSSCGKSA-N 1 1 302.350 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001368259722 919645118 /nfs/dbraw/zinc/64/51/18/919645118.db2.gz CFQJICLCEMDXOO-DZHLUBAWSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001368259722 919645129 /nfs/dbraw/zinc/64/51/29/919645129.db2.gz CFQJICLCEMDXOO-DZHLUBAWSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001368265033 919645236 /nfs/dbraw/zinc/64/52/36/919645236.db2.gz SZYRVPRZWOSQGO-CYBMUJFWSA-N 1 1 313.358 -2.560 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001368265033 919645245 /nfs/dbraw/zinc/64/52/45/919645245.db2.gz SZYRVPRZWOSQGO-CYBMUJFWSA-N 1 1 313.358 -2.560 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001368260249 919645398 /nfs/dbraw/zinc/64/53/98/919645398.db2.gz CRVMBCHOPYWWNI-IPNGBCKKSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cccc2ncnn21 ZINC001368260260 919645994 /nfs/dbraw/zinc/64/59/94/919645994.db2.gz DNECDOLKPNDQNN-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368265409 919647539 /nfs/dbraw/zinc/64/75/39/919647539.db2.gz YUGCNYAIKNBBID-KOLCDFICSA-N 1 1 309.388 -2.531 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267541 919647701 /nfs/dbraw/zinc/64/77/01/919647701.db2.gz PICPUQUBWGQBSL-QPUJVOFHSA-N 1 1 311.346 -2.489 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267541 919647715 /nfs/dbraw/zinc/64/77/15/919647715.db2.gz PICPUQUBWGQBSL-QPUJVOFHSA-N 1 1 311.346 -2.489 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267540 919648681 /nfs/dbraw/zinc/64/86/81/919648681.db2.gz PICPUQUBWGQBSL-PRHODGIISA-N 1 1 311.346 -2.489 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267540 919648691 /nfs/dbraw/zinc/64/86/91/919648691.db2.gz PICPUQUBWGQBSL-PRHODGIISA-N 1 1 311.346 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC[C@@H]3CCCO3)C2)n1 ZINC001368268188 919648942 /nfs/dbraw/zinc/64/89/42/919648942.db2.gz RMPOJEFGWSVJBU-FZMZJTMJSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(F)(F)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368268087 919648987 /nfs/dbraw/zinc/64/89/87/919648987.db2.gz JJRIIEIOZWOWMZ-GFCCVEGCSA-N 1 1 322.312 -1.220 20 0 DAADMO CC(F)(F)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368268087 919648996 /nfs/dbraw/zinc/64/89/96/919648996.db2.gz JJRIIEIOZWOWMZ-GFCCVEGCSA-N 1 1 322.312 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001368268418 919649432 /nfs/dbraw/zinc/64/94/32/919649432.db2.gz BNZXGWQYWHPVOX-BXUZGUMPSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368267880 919649482 /nfs/dbraw/zinc/64/94/82/919649482.db2.gz WYPNIDOXPFXPMT-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267524 919649606 /nfs/dbraw/zinc/64/96/06/919649606.db2.gz PICPUQUBWGQBSL-PELKAZGASA-N 1 1 311.346 -2.489 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001368267524 919649619 /nfs/dbraw/zinc/64/96/19/919649619.db2.gz PICPUQUBWGQBSL-PELKAZGASA-N 1 1 311.346 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H]3CCCCO3)C2)n1 ZINC001368269541 919649850 /nfs/dbraw/zinc/64/98/50/919649850.db2.gz UQBAAZBVKQDYLH-FZMZJTMJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(CN1CCCCC1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368266978 919649901 /nfs/dbraw/zinc/64/99/01/919649901.db2.gz YQCGGTWFNXAIMW-OAHLLOKOSA-N 1 1 313.398 -1.066 20 0 DAADMO Cc1ccnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001368269044 919651205 /nfs/dbraw/zinc/65/12/05/919651205.db2.gz WIQSHAZDZYAFJN-IAQYHMDHSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ccnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001368269044 919651219 /nfs/dbraw/zinc/65/12/19/919651219.db2.gz WIQSHAZDZYAFJN-IAQYHMDHSA-N 1 1 319.365 -1.160 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC[C@H]3CCCO3)C2)n1 ZINC001368268191 919651378 /nfs/dbraw/zinc/65/13/78/919651378.db2.gz RMPOJEFGWSVJBU-RISCZKNCSA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001368266506 919651426 /nfs/dbraw/zinc/65/14/26/919651426.db2.gz NLJMHAXBCYUAJM-ZANVPECISA-N 1 1 323.357 -2.393 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001368266506 919651439 /nfs/dbraw/zinc/65/14/39/919651439.db2.gz NLJMHAXBCYUAJM-ZANVPECISA-N 1 1 323.357 -2.393 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267582 919651767 /nfs/dbraw/zinc/65/17/67/919651767.db2.gz ZWXOAUZSMDRIJZ-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267582 919651778 /nfs/dbraw/zinc/65/17/78/919651778.db2.gz ZWXOAUZSMDRIJZ-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001368271024 919654291 /nfs/dbraw/zinc/65/42/91/919654291.db2.gz ZQVPFKVGHOQQIG-JSGCOSHPSA-N 1 1 313.354 -1.223 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001368271026 919655029 /nfs/dbraw/zinc/65/50/29/919655029.db2.gz ZQVPFKVGHOQQIG-TZMCWYRMSA-N 1 1 313.354 -1.223 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001368274788 919655424 /nfs/dbraw/zinc/65/54/24/919655424.db2.gz UAUCADMOXBZZOT-RISCZKNCSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275184 919655919 /nfs/dbraw/zinc/65/59/19/919655919.db2.gz YRCFRWRFMSYGMK-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275184 919655930 /nfs/dbraw/zinc/65/59/30/919655930.db2.gz YRCFRWRFMSYGMK-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001368276137 919656037 /nfs/dbraw/zinc/65/60/37/919656037.db2.gz LUMBSGQZOBUEIB-MEBBXXQBSA-N 1 1 322.365 -1.272 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccncn1 ZINC001368271938 919656231 /nfs/dbraw/zinc/65/62/31/919656231.db2.gz IVTFTXMJOBVXCJ-WFASDCNBSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368275336 919656825 /nfs/dbraw/zinc/65/68/25/919656825.db2.gz GFHLRDHBGGDVKA-AWEZNQCLSA-N 1 1 322.369 -1.868 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368275336 919656833 /nfs/dbraw/zinc/65/68/33/919656833.db2.gz GFHLRDHBGGDVKA-AWEZNQCLSA-N 1 1 322.369 -1.868 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001368277574 919658336 /nfs/dbraw/zinc/65/83/36/919658336.db2.gz NRVGVRQOCHLLRA-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001368277574 919658341 /nfs/dbraw/zinc/65/83/41/919658341.db2.gz NRVGVRQOCHLLRA-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001368277986 919658780 /nfs/dbraw/zinc/65/87/80/919658780.db2.gz UZFRLUOFFKSXBF-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO CCO[C@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001368280281 919658927 /nfs/dbraw/zinc/65/89/27/919658927.db2.gz RGLHQXFUJOQBDO-GFCCVEGCSA-N 1 1 324.385 -1.349 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001368280557 919658990 /nfs/dbraw/zinc/65/89/90/919658990.db2.gz BCGPXZQEVRDVCC-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001368277988 919659223 /nfs/dbraw/zinc/65/92/23/919659223.db2.gz UZFRLUOFFKSXBF-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001368277785 919659289 /nfs/dbraw/zinc/65/92/89/919659289.db2.gz SPOPKQHDLUKNOS-CMPLNLGQSA-N 1 1 305.400 -1.361 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368277595 919660277 /nfs/dbraw/zinc/66/02/77/919660277.db2.gz RZQITKVHMGOIBG-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277595 919660285 /nfs/dbraw/zinc/66/02/85/919660285.db2.gz RZQITKVHMGOIBG-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001368278015 919660333 /nfs/dbraw/zinc/66/03/33/919660333.db2.gz PIPRQBSZMCKSLK-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001368285310 919664054 /nfs/dbraw/zinc/66/40/54/919664054.db2.gz KSTIMCCBXJIWPX-OAHLLOKOSA-N 1 1 322.365 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001368285310 919664062 /nfs/dbraw/zinc/66/40/62/919664062.db2.gz KSTIMCCBXJIWPX-OAHLLOKOSA-N 1 1 322.365 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001368283024 919664511 /nfs/dbraw/zinc/66/45/11/919664511.db2.gz VJXUHIKAMUTQJL-AWEZNQCLSA-N 1 1 309.370 -1.738 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001368283024 919664523 /nfs/dbraw/zinc/66/45/23/919664523.db2.gz VJXUHIKAMUTQJL-AWEZNQCLSA-N 1 1 309.370 -1.738 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCC(=O)N1 ZINC001368287111 919667309 /nfs/dbraw/zinc/66/73/09/919667309.db2.gz GYHHINDSIXRMJQ-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368290776 919668967 /nfs/dbraw/zinc/66/89/67/919668967.db2.gz ZDWJRVUKIDTVFE-LLVKDONJSA-N 1 1 314.386 -2.384 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368290776 919668972 /nfs/dbraw/zinc/66/89/72/919668972.db2.gz ZDWJRVUKIDTVFE-LLVKDONJSA-N 1 1 314.386 -2.384 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368290777 919669112 /nfs/dbraw/zinc/66/91/12/919669112.db2.gz ZDWJRVUKIDTVFE-NSHDSACASA-N 1 1 314.386 -2.384 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368290777 919669117 /nfs/dbraw/zinc/66/91/17/919669117.db2.gz ZDWJRVUKIDTVFE-NSHDSACASA-N 1 1 314.386 -2.384 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001368294588 919673441 /nfs/dbraw/zinc/67/34/41/919673441.db2.gz JSHQYEAMGJHUDM-SNVBAGLBSA-N 1 1 307.416 -1.115 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001368296826 919677062 /nfs/dbraw/zinc/67/70/62/919677062.db2.gz OJPJSBOFBLASMH-UTUOFQBUSA-N 1 1 320.411 -1.381 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001368296826 919677068 /nfs/dbraw/zinc/67/70/68/919677068.db2.gz OJPJSBOFBLASMH-UTUOFQBUSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCCC(=O)N1 ZINC001368300980 919679048 /nfs/dbraw/zinc/67/90/48/919679048.db2.gz HUUBFQKUIXGZTC-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001368304161 919683110 /nfs/dbraw/zinc/68/31/10/919683110.db2.gz PHBFOGSAQWGQEE-VXGBXAGGSA-N 1 1 310.398 -1.478 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC2(O)C[NH+](CC3CC3)C2)c1=O ZINC001368303915 919683332 /nfs/dbraw/zinc/68/33/32/919683332.db2.gz NNOXLVZQRSQXGJ-UHFFFAOYSA-N 1 1 322.365 -1.880 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001368308195 919685427 /nfs/dbraw/zinc/68/54/27/919685427.db2.gz QCDWRMMTRHKYAF-UHFFFAOYSA-N 1 1 307.416 -1.126 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3nncn3C)C2)C1 ZINC001368313382 919689063 /nfs/dbraw/zinc/68/90/63/919689063.db2.gz DYNOWBACOPUTDU-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CC(=O)N(C)C)C2)C1 ZINC001368317251 919690655 /nfs/dbraw/zinc/69/06/55/919690655.db2.gz ZGWDHCHAUBNAKL-GFCCVEGCSA-N 1 1 312.414 -1.421 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)c1 ZINC001368317794 919691634 /nfs/dbraw/zinc/69/16/34/919691634.db2.gz IRRLSDVSRCUUNA-SNVBAGLBSA-N 1 1 322.365 -1.073 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001368325554 919698707 /nfs/dbraw/zinc/69/87/07/919698707.db2.gz LQEVHDFMTNQZQA-UHFFFAOYSA-N 1 1 305.400 -1.501 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368326139 919698775 /nfs/dbraw/zinc/69/87/75/919698775.db2.gz MPDTZWCXZQFQIH-NSHDSACASA-N 1 1 308.386 -1.570 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2(O)C[NH+](CCC3CC3)C2)nn1 ZINC001368327182 919698885 /nfs/dbraw/zinc/69/88/85/919698885.db2.gz FOBBLCNQYZMLSU-UHFFFAOYSA-N 1 1 322.369 -1.660 20 0 DAADMO C[C@@H](c1nncn1C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368328184 919699276 /nfs/dbraw/zinc/69/92/76/919699276.db2.gz VBDLATKWHCARMQ-NWDGAFQWSA-N 1 1 322.413 -1.009 20 0 DAADMO C[C@H](c1nncn1C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368328177 919699377 /nfs/dbraw/zinc/69/93/77/919699377.db2.gz VBDLATKWHCARMQ-NEPJUHHUSA-N 1 1 322.413 -1.009 20 0 DAADMO CC[C@H]([NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1)C(N)=O ZINC001368360884 919701378 /nfs/dbraw/zinc/70/13/78/919701378.db2.gz QXHGLTWKYPUQBF-NSHDSACASA-N 1 1 323.401 -1.148 20 0 DAADMO CC[C@H]([NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1)C(N)=O ZINC001368360884 919701385 /nfs/dbraw/zinc/70/13/85/919701385.db2.gz QXHGLTWKYPUQBF-NSHDSACASA-N 1 1 323.401 -1.148 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001368347819 919702436 /nfs/dbraw/zinc/70/24/36/919702436.db2.gz YUIDSTIBSFTDHD-GXSJLCMTSA-N 1 1 309.374 -1.327 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001368354351 919703464 /nfs/dbraw/zinc/70/34/64/919703464.db2.gz CLNQPTOJYZDTSX-PHIMTYICSA-N 1 1 320.415 -2.235 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)NC1=O ZINC001368368145 919704834 /nfs/dbraw/zinc/70/48/34/919704834.db2.gz ATUNAJQIPBWSBU-RISCZKNCSA-N 1 1 314.386 -1.665 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CCC(C)C)C1 ZINC001368366409 919705327 /nfs/dbraw/zinc/70/53/27/919705327.db2.gz DRIQKCVOTDEPKZ-UHFFFAOYSA-N 1 1 307.416 -1.255 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001368366999 919705747 /nfs/dbraw/zinc/70/57/47/919705747.db2.gz MSHPIFXHRLSEDU-HNNXBMFYSA-N 1 1 313.398 -1.162 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)NC1=O ZINC001368368146 919705944 /nfs/dbraw/zinc/70/59/44/919705944.db2.gz ATUNAJQIPBWSBU-SMDDNHRTSA-N 1 1 314.386 -1.665 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001368367467 919706020 /nfs/dbraw/zinc/70/60/20/919706020.db2.gz INHBXDWWLBQCRK-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001368367475 919706364 /nfs/dbraw/zinc/70/63/64/919706364.db2.gz INHBXDWWLBQCRK-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001368367470 919706816 /nfs/dbraw/zinc/70/68/16/919706816.db2.gz INHBXDWWLBQCRK-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001368374063 919707097 /nfs/dbraw/zinc/70/70/97/919707097.db2.gz LVSRNWAWHFXEIL-AWEZNQCLSA-N 1 1 309.370 -1.380 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001368365116 919707116 /nfs/dbraw/zinc/70/71/16/919707116.db2.gz IJGZNUOZFWMNAG-OBJOEFQTSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCn2cncn2)C1 ZINC001368384118 919708691 /nfs/dbraw/zinc/70/86/91/919708691.db2.gz XMMZXSNQWTWAGJ-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001368386628 919708864 /nfs/dbraw/zinc/70/88/64/919708864.db2.gz YGYKBDZKOBARRA-SMDDNHRTSA-N 1 1 312.370 -1.026 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCOC)C2)C1 ZINC001368384918 919709427 /nfs/dbraw/zinc/70/94/27/919709427.db2.gz UNCXNGNEQPFNAW-GFCCVEGCSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCOC)C2)C1 ZINC001368384918 919709433 /nfs/dbraw/zinc/70/94/33/919709433.db2.gz UNCXNGNEQPFNAW-GFCCVEGCSA-N 1 1 301.387 -1.484 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001368383174 919710595 /nfs/dbraw/zinc/71/05/95/919710595.db2.gz BONLHLZRVACTMB-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCn2cncn2)C1)c1cnon1 ZINC001368381394 919711555 /nfs/dbraw/zinc/71/15/55/919711555.db2.gz WYZFEWIBYMTGTI-CYBMUJFWSA-N 1 1 321.341 -1.082 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@@H+](CCn2cncn2)C1)c1cnon1 ZINC001368381394 919711567 /nfs/dbraw/zinc/71/15/67/919711567.db2.gz WYZFEWIBYMTGTI-CYBMUJFWSA-N 1 1 321.341 -1.082 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392063 919713208 /nfs/dbraw/zinc/71/32/08/919713208.db2.gz GZSJRSCJTRSNAM-IUCAKERBSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392063 919713220 /nfs/dbraw/zinc/71/32/20/919713220.db2.gz GZSJRSCJTRSNAM-IUCAKERBSA-N 1 1 321.341 -1.322 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)CC(C)(C)O)c1nnnn1C ZINC001368394857 919714532 /nfs/dbraw/zinc/71/45/32/919714532.db2.gz QUAMZZIFZASXGT-JTQLQIEISA-N 1 1 314.390 -1.157 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1ccon1)c1nnnn1C ZINC001368397089 919714669 /nfs/dbraw/zinc/71/46/69/919714669.db2.gz VPZFFUMKBWPYRJ-JTQLQIEISA-N 1 1 323.357 -1.088 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392061 919715514 /nfs/dbraw/zinc/71/55/14/919715514.db2.gz GZSJRSCJTRSNAM-DTWKUNHWSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392061 919715537 /nfs/dbraw/zinc/71/55/37/919715537.db2.gz GZSJRSCJTRSNAM-DTWKUNHWSA-N 1 1 321.341 -1.322 20 0 DAADMO C[N@H+](CC(N)=O)Cc1ccccc1CNC(=O)Cn1ncnn1 ZINC001368405578 919718828 /nfs/dbraw/zinc/71/88/28/919718828.db2.gz JMWSJHIWYGZTLQ-UHFFFAOYSA-N 1 1 317.353 -1.093 20 0 DAADMO C[N@@H+](CC(N)=O)Cc1ccccc1CNC(=O)Cn1ncnn1 ZINC001368405578 919718844 /nfs/dbraw/zinc/71/88/44/919718844.db2.gz JMWSJHIWYGZTLQ-UHFFFAOYSA-N 1 1 317.353 -1.093 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001368430278 919721924 /nfs/dbraw/zinc/72/19/24/919721924.db2.gz WJIZMNHNRDLZQX-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001368425101 919722612 /nfs/dbraw/zinc/72/26/12/919722612.db2.gz OYYFVNRTJPFWIC-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441856 919724554 /nfs/dbraw/zinc/72/45/54/919724554.db2.gz XBKSDIAUQAMUEA-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441856 919724563 /nfs/dbraw/zinc/72/45/63/919724563.db2.gz XBKSDIAUQAMUEA-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441848 919724851 /nfs/dbraw/zinc/72/48/51/919724851.db2.gz XBKSDIAUQAMUEA-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441848 919724861 /nfs/dbraw/zinc/72/48/61/919724861.db2.gz XBKSDIAUQAMUEA-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001368505002 919732100 /nfs/dbraw/zinc/73/21/00/919732100.db2.gz XTIHMVVVCNQRPE-JTQLQIEISA-N 1 1 311.346 -2.337 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001368510351 919736673 /nfs/dbraw/zinc/73/66/73/919736673.db2.gz ULNIEPTWEVWYHN-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001368510360 919736928 /nfs/dbraw/zinc/73/69/28/919736928.db2.gz ULNIEPTWEVWYHN-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001368549932 919739291 /nfs/dbraw/zinc/73/92/91/919739291.db2.gz NMLYOHHHROESHB-MGCOHNPYSA-N 1 1 319.373 -1.055 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001368546137 919740204 /nfs/dbraw/zinc/74/02/04/919740204.db2.gz DRDWFWJOUUNJDF-RYUDHWBXSA-N 1 1 316.402 -1.202 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001368535549 919740529 /nfs/dbraw/zinc/74/05/29/919740529.db2.gz SUTCJYGJXZLZKE-NSHDSACASA-N 1 1 324.385 -1.212 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001368538403 919740772 /nfs/dbraw/zinc/74/07/72/919740772.db2.gz GCPJSSKHCGVBCN-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001368539588 919741970 /nfs/dbraw/zinc/74/19/70/919741970.db2.gz MAEBRQGYQPZDCA-MGCOHNPYSA-N 1 1 315.399 -1.156 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001368598487 919746463 /nfs/dbraw/zinc/74/64/63/919746463.db2.gz BACOQSITTRKYJH-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001368599407 919747265 /nfs/dbraw/zinc/74/72/65/919747265.db2.gz GSNKYKMTZBDQKX-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368616360 919750461 /nfs/dbraw/zinc/75/04/61/919750461.db2.gz ALMGKKRHYBFALA-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001368631919 919750732 /nfs/dbraw/zinc/75/07/32/919750732.db2.gz SZVMTEXQYZCURY-CQSZACIVSA-N 1 1 300.403 -1.245 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001368631919 919750741 /nfs/dbraw/zinc/75/07/41/919750741.db2.gz SZVMTEXQYZCURY-CQSZACIVSA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001368671568 919757757 /nfs/dbraw/zinc/75/77/57/919757757.db2.gz UVMJLBWKXNJMRY-KOLCDFICSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660491 919757875 /nfs/dbraw/zinc/75/78/75/919757875.db2.gz IZVCYSRNZLDGAZ-GXSJLCMTSA-N 1 1 322.369 -1.026 20 0 DAADMO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2ncnn2C)CC1 ZINC001368676065 919758957 /nfs/dbraw/zinc/75/89/57/919758957.db2.gz GEVAOJNOTRHXCO-UHFFFAOYSA-N 1 1 324.385 -1.606 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001368676361 919759148 /nfs/dbraw/zinc/75/91/48/919759148.db2.gz XOLQOLSHMVHZJB-VIFPVBQESA-N 1 1 309.326 -1.577 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1C[C@@H](O)COC ZINC001368690233 919762001 /nfs/dbraw/zinc/76/20/01/919762001.db2.gz XTGYHTDEGUOHLB-GRYCIOLGSA-N 1 1 312.374 -1.351 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001368692707 919762180 /nfs/dbraw/zinc/76/21/80/919762180.db2.gz ZUPXGSOJMMBUCA-UHFFFAOYSA-N 1 1 307.314 -1.055 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001368733866 919764821 /nfs/dbraw/zinc/76/48/21/919764821.db2.gz XHVNGYPSLZVGIS-SNVBAGLBSA-N 1 1 323.353 -1.846 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001368733866 919764831 /nfs/dbraw/zinc/76/48/31/919764831.db2.gz XHVNGYPSLZVGIS-SNVBAGLBSA-N 1 1 323.353 -1.846 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001368737429 919764920 /nfs/dbraw/zinc/76/49/20/919764920.db2.gz SQGRGIXSPCERSA-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001368737429 919764937 /nfs/dbraw/zinc/76/49/37/919764937.db2.gz SQGRGIXSPCERSA-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO CCC(=O)NC1(CO)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001368751634 919769809 /nfs/dbraw/zinc/76/98/09/919769809.db2.gz GEEBMWAXCHGOKR-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)N2CCCC2)CC[N@@H+]1CC(N)=O ZINC001368767527 919770968 /nfs/dbraw/zinc/77/09/68/919770968.db2.gz UKKXBKZZDIZPPT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)N2CCCC2)CC[N@H+]1CC(N)=O ZINC001368767527 919770985 /nfs/dbraw/zinc/77/09/85/919770985.db2.gz UKKXBKZZDIZPPT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001368797546 919772576 /nfs/dbraw/zinc/77/25/76/919772576.db2.gz OIWOBEAGJIILFO-RKDXNWHRSA-N 1 1 323.357 -1.076 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001368790831 919772779 /nfs/dbraw/zinc/77/27/79/919772779.db2.gz WWUCMCZLABOKPN-SRVKXCTJSA-N 1 1 316.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001368790828 919773415 /nfs/dbraw/zinc/77/34/15/919773415.db2.gz WWUCMCZLABOKPN-SDDRHHMPSA-N 1 1 316.402 -1.027 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001368803108 919773917 /nfs/dbraw/zinc/77/39/17/919773917.db2.gz UBVOBJSFLBWPGP-MFAVDMRSSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001368797545 919774095 /nfs/dbraw/zinc/77/40/95/919774095.db2.gz OIWOBEAGJIILFO-IUCAKERBSA-N 1 1 323.357 -1.076 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001368795832 919775148 /nfs/dbraw/zinc/77/51/48/919775148.db2.gz LNPPWPPSPZDJSC-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001368795832 919775156 /nfs/dbraw/zinc/77/51/56/919775156.db2.gz LNPPWPPSPZDJSC-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001368790835 919775811 /nfs/dbraw/zinc/77/58/11/919775811.db2.gz WWUCMCZLABOKPN-TUAOUCFPSA-N 1 1 316.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001368836161 919777735 /nfs/dbraw/zinc/77/77/35/919777735.db2.gz OVZCXTIMHVEARZ-NXEZZACHSA-N 1 1 324.385 -1.073 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001368863123 919782156 /nfs/dbraw/zinc/78/21/56/919782156.db2.gz WXTYMNSCDWVQGA-ZJUUUORDSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001368857057 919783743 /nfs/dbraw/zinc/78/37/43/919783743.db2.gz BLICCVCHMUXZAS-MNOVXSKESA-N 1 1 323.401 -1.770 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001368931875 919784982 /nfs/dbraw/zinc/78/49/82/919784982.db2.gz BJLHMPJLLISLKH-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001368931875 919785002 /nfs/dbraw/zinc/78/50/02/919785002.db2.gz BJLHMPJLLISLKH-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cnon2)c(=O)n1C ZINC001368898733 919785136 /nfs/dbraw/zinc/78/51/36/919785136.db2.gz OPASRALTEVTYNR-RKDXNWHRSA-N 1 1 323.357 -1.044 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001368932137 919786096 /nfs/dbraw/zinc/78/60/96/919786096.db2.gz QSGFNYHEFWEYLF-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368931207 919787147 /nfs/dbraw/zinc/78/71/47/919787147.db2.gz KQRYMHNTFHLXQJ-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001368978474 919788877 /nfs/dbraw/zinc/78/88/77/919788877.db2.gz PHPIVBXAUSQBSJ-ZJUUUORDSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](COC)OC ZINC001368978474 919788890 /nfs/dbraw/zinc/78/88/90/919788890.db2.gz PHPIVBXAUSQBSJ-ZJUUUORDSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001368961707 919789095 /nfs/dbraw/zinc/78/90/95/919789095.db2.gz PVXCCICZYFLCFU-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001368961707 919789106 /nfs/dbraw/zinc/78/91/06/919789106.db2.gz PVXCCICZYFLCFU-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@H](CNC(=O)c1ccc(-n2cnnn2)cn1)[N@H+](C)CC(N)=O ZINC001368974954 919789268 /nfs/dbraw/zinc/78/92/68/919789268.db2.gz YCOCMRLDVPGSDI-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@H](CNC(=O)c1ccc(-n2cnnn2)cn1)[N@@H+](C)CC(N)=O ZINC001368974954 919789279 /nfs/dbraw/zinc/78/92/79/919789279.db2.gz YCOCMRLDVPGSDI-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CCn1cccn1 ZINC001368965917 919790002 /nfs/dbraw/zinc/79/00/02/919790002.db2.gz XOPFNIZDLJMEPX-LBPRGKRZSA-N 1 1 321.385 -1.085 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368944585 919790096 /nfs/dbraw/zinc/79/00/96/919790096.db2.gz YGESTFUUPBMEPZ-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368944585 919790110 /nfs/dbraw/zinc/79/01/10/919790110.db2.gz YGESTFUUPBMEPZ-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)COCC(F)F)[N@H+](C)CC(=O)NC(N)=O ZINC001368973933 919791008 /nfs/dbraw/zinc/79/10/08/919791008.db2.gz WLSBUCZFFCIKTC-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@H](CNC(=O)COCC(F)F)[N@@H+](C)CC(=O)NC(N)=O ZINC001368973933 919791017 /nfs/dbraw/zinc/79/10/17/919791017.db2.gz WLSBUCZFFCIKTC-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368936990 919791424 /nfs/dbraw/zinc/79/14/24/919791424.db2.gz ARXGFMPYFYOQBM-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368936990 919791435 /nfs/dbraw/zinc/79/14/35/919791435.db2.gz ARXGFMPYFYOQBM-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001368971211 919791497 /nfs/dbraw/zinc/79/14/97/919791497.db2.gz WJXQRGMEWPNYGI-IUCAKERBSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001368971211 919791509 /nfs/dbraw/zinc/79/15/09/919791509.db2.gz WJXQRGMEWPNYGI-IUCAKERBSA-N 1 1 311.342 -1.741 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001368947657 919792337 /nfs/dbraw/zinc/79/23/37/919792337.db2.gz BJWIYSHZWNPUSE-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001368947657 919792346 /nfs/dbraw/zinc/79/23/46/919792346.db2.gz BJWIYSHZWNPUSE-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1CCCC1=O ZINC001368940526 919792838 /nfs/dbraw/zinc/79/28/38/919792838.db2.gz VCFMTFDIFYRYCP-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001368989637 919794237 /nfs/dbraw/zinc/79/42/37/919794237.db2.gz XRUKXOAVZAMNFJ-NSHDSACASA-N 1 1 322.369 -1.026 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001369002087 919796285 /nfs/dbraw/zinc/79/62/85/919796285.db2.gz GDFASRUWAGPADX-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001369002087 919796299 /nfs/dbraw/zinc/79/62/99/919796299.db2.gz GDFASRUWAGPADX-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001368981101 919796321 /nfs/dbraw/zinc/79/63/21/919796321.db2.gz FTGDEHJYWPGNLY-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001368981101 919796328 /nfs/dbraw/zinc/79/63/28/919796328.db2.gz FTGDEHJYWPGNLY-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001369002061 919796374 /nfs/dbraw/zinc/79/63/74/919796374.db2.gz GDFASRUWAGPADX-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001369002061 919796383 /nfs/dbraw/zinc/79/63/83/919796383.db2.gz GDFASRUWAGPADX-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368998713 919797010 /nfs/dbraw/zinc/79/70/10/919797010.db2.gz IJPBKUTZTOLAKD-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368998713 919797019 /nfs/dbraw/zinc/79/70/19/919797019.db2.gz IJPBKUTZTOLAKD-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@@H](NC(=O)CCn1ccnn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001369071529 919810175 /nfs/dbraw/zinc/81/01/75/919810175.db2.gz DEGXYSUTPDDBNL-PWSUYJOCSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001369080285 919811738 /nfs/dbraw/zinc/81/17/38/919811738.db2.gz ZXZVWSNDDVHATK-VIFPVBQESA-N 1 1 307.358 -1.612 20 0 DAADMO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC001369072553 919812363 /nfs/dbraw/zinc/81/23/63/919812363.db2.gz IZABUYDGSFXCHN-BXKDBHETSA-N 1 1 320.411 -1.525 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001369115040 919815121 /nfs/dbraw/zinc/81/51/21/919815121.db2.gz HGBHATQOUVSFPT-CHWFTXMASA-N 1 1 312.370 -1.100 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC001369110358 919815931 /nfs/dbraw/zinc/81/59/31/919815931.db2.gz LSBZUVVQBFFHMO-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC001369110358 919815950 /nfs/dbraw/zinc/81/59/50/919815950.db2.gz LSBZUVVQBFFHMO-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](C[C@H](C)O)CC1(C)C ZINC001369122089 919816800 /nfs/dbraw/zinc/81/68/00/919816800.db2.gz SZDQWWVYTKMJSA-UWVGGRQHSA-N 1 1 322.431 -1.752 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](C[C@@H](C)O)CC1(C)C ZINC001369122103 919817303 /nfs/dbraw/zinc/81/73/03/919817303.db2.gz SZDQWWVYTKMJSA-ZJUUUORDSA-N 1 1 322.431 -1.752 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001369128288 919818295 /nfs/dbraw/zinc/81/82/95/919818295.db2.gz BQEIHRNQMAQSHK-LPWJVIDDSA-N 1 1 323.397 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cncn3)[C@@H]2C1 ZINC001369122566 919818440 /nfs/dbraw/zinc/81/84/40/919818440.db2.gz LBMQXFOJBSPCCP-CNDDSTCGSA-N 1 1 306.370 -1.292 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001369120979 919818783 /nfs/dbraw/zinc/81/87/83/919818783.db2.gz PCMNOGJXIPJOLH-FIQHERPVSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001369118259 919818875 /nfs/dbraw/zinc/81/88/75/919818875.db2.gz MMEAOTHXURQFJB-ZSOGYDGISA-N 1 1 322.409 -1.057 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001369122688 919818946 /nfs/dbraw/zinc/81/89/46/919818946.db2.gz QQRJCSPRCRZBMA-KKOKHZNYSA-N 1 1 320.411 -1.668 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001369134686 919820396 /nfs/dbraw/zinc/82/03/96/919820396.db2.gz JGFOUCFBPSRJHB-SYQHCUMBSA-N 1 1 323.397 -1.031 20 0 DAADMO CO[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001369140205 919820587 /nfs/dbraw/zinc/82/05/87/919820587.db2.gz RJHWUECFQVCZOY-NRWUCQMLSA-N 1 1 321.381 -1.113 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001369134426 919820652 /nfs/dbraw/zinc/82/06/52/919820652.db2.gz MEUZUSHDJHSZQG-CNDDSTCGSA-N 1 1 317.357 -1.741 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001369133271 919821195 /nfs/dbraw/zinc/82/11/95/919821195.db2.gz CTUPRVYPFJPVRP-WISYIIOYSA-N 1 1 319.427 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001369160872 919822780 /nfs/dbraw/zinc/82/27/80/919822780.db2.gz VHQYCQSLWFIAGW-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(N)=O)C2 ZINC001369160872 919822798 /nfs/dbraw/zinc/82/27/98/919822798.db2.gz VHQYCQSLWFIAGW-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO COCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001369150866 919824726 /nfs/dbraw/zinc/82/47/26/919824726.db2.gz VMWSSGARMUMJIH-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001369167761 919826134 /nfs/dbraw/zinc/82/61/34/919826134.db2.gz UCIHXONGGCTHMU-GARJFASQSA-N 1 1 317.411 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001369167761 919826150 /nfs/dbraw/zinc/82/61/50/919826150.db2.gz UCIHXONGGCTHMU-GARJFASQSA-N 1 1 317.411 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001369167768 919826684 /nfs/dbraw/zinc/82/66/84/919826684.db2.gz UCIHXONGGCTHMU-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001369167768 919826705 /nfs/dbraw/zinc/82/67/05/919826705.db2.gz UCIHXONGGCTHMU-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001369278695 919834258 /nfs/dbraw/zinc/83/42/58/919834258.db2.gz KJYDQNGFWAFDFJ-IUCAKERBSA-N 1 1 323.357 -1.650 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001369257496 919835204 /nfs/dbraw/zinc/83/52/04/919835204.db2.gz SSHVTILBDKNQSA-SECBINFHSA-N 1 1 324.389 -1.127 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001369278680 919836401 /nfs/dbraw/zinc/83/64/01/919836401.db2.gz KJYDQNGFWAFDFJ-BDAKNGLRSA-N 1 1 323.357 -1.650 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1COCCO1 ZINC001369305581 919842351 /nfs/dbraw/zinc/84/23/51/919842351.db2.gz IOFXIIJNGBLFHW-OCCSQVGLSA-N 1 1 324.381 -1.189 20 0 DAADMO CCc1onc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001369320474 919854411 /nfs/dbraw/zinc/85/44/11/919854411.db2.gz BXVKAUDCGZTVGU-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC1CC1 ZINC001369323772 919856544 /nfs/dbraw/zinc/85/65/44/919856544.db2.gz VEVMRPVJBNXVRK-STQMWFEESA-N 1 1 312.414 -1.327 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369323073 919856711 /nfs/dbraw/zinc/85/67/11/919856711.db2.gz TWTJMEPJVZQNHQ-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)n1cncn1 ZINC001369324122 919856915 /nfs/dbraw/zinc/85/69/15/919856915.db2.gz RZKOFJGGOAYZPR-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001369322503 919857404 /nfs/dbraw/zinc/85/74/04/919857404.db2.gz MRIUJLWMVJDTHZ-KOLCDFICSA-N 1 1 312.326 -1.033 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NCC1CC1 ZINC001369323763 919857937 /nfs/dbraw/zinc/85/79/37/919857937.db2.gz VEVMRPVJBNXVRK-CHWSQXEVSA-N 1 1 312.414 -1.327 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001369330774 919863758 /nfs/dbraw/zinc/86/37/58/919863758.db2.gz KCIZFUXUCDHGEN-NSHDSACASA-N 1 1 324.385 -1.329 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001369329311 919864484 /nfs/dbraw/zinc/86/44/84/919864484.db2.gz CVSJGQONCIBQKQ-JTQLQIEISA-N 1 1 323.357 -2.418 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1C ZINC001369334438 919868224 /nfs/dbraw/zinc/86/82/24/919868224.db2.gz HAKIROAXERYRHX-QWRGUYRKSA-N 1 1 310.358 -2.023 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@@H]1CNC(=O)N1 ZINC001369334836 919870721 /nfs/dbraw/zinc/87/07/21/919870721.db2.gz IBXOBLGJZRDEFU-XPUUQOCRSA-N 1 1 300.344 -2.214 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001369335525 919872529 /nfs/dbraw/zinc/87/25/29/919872529.db2.gz UVYLAJDLDRBAJQ-PWSUYJOCSA-N 1 1 311.386 -1.099 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369342413 919878861 /nfs/dbraw/zinc/87/88/61/919878861.db2.gz TXLPOSGFJRRSME-QWHCGFSZSA-N 1 1 310.402 -1.171 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)n1 ZINC001369340740 919879363 /nfs/dbraw/zinc/87/93/63/919879363.db2.gz WXLUISNWMJESNC-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001369342773 919881199 /nfs/dbraw/zinc/88/11/99/919881199.db2.gz SDODJYBKJZZHIR-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)nn1C ZINC001369345943 919884358 /nfs/dbraw/zinc/88/43/58/919884358.db2.gz OBSZXIVDJJZMAU-AAEUAGOBSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001369346843 919886275 /nfs/dbraw/zinc/88/62/75/919886275.db2.gz UIWVFHBPJHMSCG-MRVPVSSYSA-N 1 1 301.372 -1.361 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)N1CCCC1 ZINC001369352666 919890501 /nfs/dbraw/zinc/89/05/01/919890501.db2.gz LPYLQUSSVLRHDP-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001369352879 919890576 /nfs/dbraw/zinc/89/05/76/919890576.db2.gz YVEPLJRSDCPNRE-MWLCHTKSSA-N 1 1 314.390 -1.337 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)ncn1 ZINC001369352367 919891425 /nfs/dbraw/zinc/89/14/25/919891425.db2.gz KGWKWOJLPWEEPA-OLZOCXBDSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369351080 919892039 /nfs/dbraw/zinc/89/20/39/919892039.db2.gz SNLSCSIAIGXQFL-ZJUUUORDSA-N 1 1 317.390 -2.151 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001369353130 919892252 /nfs/dbraw/zinc/89/22/52/919892252.db2.gz BGUVOXKWEUDNLB-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001369356855 919895983 /nfs/dbraw/zinc/89/59/83/919895983.db2.gz XIQSBVCPJHMMJR-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O ZINC001369355779 919896179 /nfs/dbraw/zinc/89/61/79/919896179.db2.gz SFPICMCMPHOZNM-DTWKUNHWSA-N 1 1 301.347 -2.658 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001369360352 919896703 /nfs/dbraw/zinc/89/67/03/919896703.db2.gz GRZVVHCWOUVPKE-ONGXEEELSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)ncn1 ZINC001369361267 919898366 /nfs/dbraw/zinc/89/83/66/919898366.db2.gz IQTHHMRVUQNZNU-UTUOFQBUSA-N 1 1 307.354 -1.527 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001369363131 919899054 /nfs/dbraw/zinc/89/90/54/919899054.db2.gz ONMRPQBQCKBSLR-WDEREUQCSA-N 1 1 324.385 -1.467 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001369365388 919901358 /nfs/dbraw/zinc/90/13/58/919901358.db2.gz QTJXNLLLSHLXOB-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001369365388 919901369 /nfs/dbraw/zinc/90/13/69/919901369.db2.gz QTJXNLLLSHLXOB-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001369366622 919901987 /nfs/dbraw/zinc/90/19/87/919901987.db2.gz RZXDAAICHFMCGE-GHMZBOCLSA-N 1 1 310.358 -1.917 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NCC(=O)N1CCC1 ZINC001369370903 919907189 /nfs/dbraw/zinc/90/71/89/919907189.db2.gz FYNAYIMRDVZXIW-GFCCVEGCSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NCC(=O)N1CCC1 ZINC001369370903 919907202 /nfs/dbraw/zinc/90/72/02/919907202.db2.gz FYNAYIMRDVZXIW-GFCCVEGCSA-N 1 1 300.403 -1.374 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCC1 ZINC001369373233 919908008 /nfs/dbraw/zinc/90/80/08/919908008.db2.gz OQTNGMCFJHWWMF-QMMMGPOBSA-N 1 1 307.372 -2.494 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(=O)n(C)n2)on1 ZINC001369373502 919911274 /nfs/dbraw/zinc/91/12/74/919911274.db2.gz RSNVERRNZWOBIN-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381493 919912937 /nfs/dbraw/zinc/91/29/37/919912937.db2.gz NTNJONSFTFZIGA-NEPJUHHUSA-N 1 1 321.443 -1.561 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381493 919912951 /nfs/dbraw/zinc/91/29/51/919912951.db2.gz NTNJONSFTFZIGA-NEPJUHHUSA-N 1 1 321.443 -1.561 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369382568 919913185 /nfs/dbraw/zinc/91/31/85/919913185.db2.gz RYCBWSPCTIIFGO-QWRGUYRKSA-N 1 1 324.385 -1.670 20 0 DAADMO CC(C)N(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369378123 919913534 /nfs/dbraw/zinc/91/35/34/919913534.db2.gz BALOWUWXSIGMDH-QWHCGFSZSA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)N(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369378123 919913541 /nfs/dbraw/zinc/91/35/41/919913541.db2.gz BALOWUWXSIGMDH-QWHCGFSZSA-N 1 1 314.430 -1.128 20 0 DAADMO CN(CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2)S(C)(=O)=O ZINC001369393863 919919570 /nfs/dbraw/zinc/91/95/70/919919570.db2.gz DDAARTCDSJNLRO-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001369401379 919923312 /nfs/dbraw/zinc/92/33/12/919923312.db2.gz FHACJSDUDUZXSJ-MBNYWOFBSA-N 1 1 324.385 -1.206 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)c(C)o1 ZINC001369436516 919926034 /nfs/dbraw/zinc/92/60/34/919926034.db2.gz DLIPMWFSTMUMNO-NSHDSACASA-N 1 1 323.357 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001369432393 919926641 /nfs/dbraw/zinc/92/66/41/919926641.db2.gz OMQVHPNBODWLAD-JTQLQIEISA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1[nH]nc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001369449719 919930233 /nfs/dbraw/zinc/93/02/33/919930233.db2.gz JLMKNBOXTUKNFB-SNVBAGLBSA-N 1 1 322.373 -1.227 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnccn1)c1nnnn1C ZINC001369448160 919930293 /nfs/dbraw/zinc/93/02/93/919930293.db2.gz ACHPJMKAHOKLPR-VHSXEESVSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1COCCO1 ZINC001369454976 919932681 /nfs/dbraw/zinc/93/26/81/919932681.db2.gz ZFBHOBGYBSCTQS-VXGBXAGGSA-N 1 1 313.358 -1.861 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001369455026 919933035 /nfs/dbraw/zinc/93/30/35/919933035.db2.gz MRWBKPPLEUCTDA-SNVBAGLBSA-N 1 1 311.342 -1.259 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnccn1 ZINC001369455818 919934618 /nfs/dbraw/zinc/93/46/18/919934618.db2.gz RCMAFAVYVPBHMW-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnccn1 ZINC001369453829 919935168 /nfs/dbraw/zinc/93/51/68/919935168.db2.gz LURPZKJDSSGGAW-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1cnc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001369456825 919936643 /nfs/dbraw/zinc/93/66/43/919936643.db2.gz VPLBTFMSMWRBDR-JTQLQIEISA-N 1 1 320.357 -1.469 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccc(=O)[nH]n1 ZINC001369456659 919937528 /nfs/dbraw/zinc/93/75/28/919937528.db2.gz UVVKCJKIWGHVEA-SECBINFHSA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001369459297 919938347 /nfs/dbraw/zinc/93/83/47/919938347.db2.gz IQPDTJRHIZWWQU-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncs1 ZINC001369457279 919938520 /nfs/dbraw/zinc/93/85/20/919938520.db2.gz SQRSDLNNMMLHCR-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001369459691 919938720 /nfs/dbraw/zinc/93/87/20/919938720.db2.gz HNZRJJBTHPUOIN-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001369459693 919938817 /nfs/dbraw/zinc/93/88/17/919938817.db2.gz HNZRJJBTHPUOIN-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCCO1 ZINC001369462596 919941280 /nfs/dbraw/zinc/94/12/80/919941280.db2.gz RWMDKBBNISONIO-QWRGUYRKSA-N 1 1 312.374 -1.312 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)n1 ZINC001369471130 919947611 /nfs/dbraw/zinc/94/76/11/919947611.db2.gz QEFWAAYRLKYGKK-LLVKDONJSA-N 1 1 320.357 -1.619 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001369478671 919951509 /nfs/dbraw/zinc/95/15/09/919951509.db2.gz YYVIZZBBZKVPFL-BBBLOLIVSA-N 1 1 310.358 -2.155 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001369475883 919951700 /nfs/dbraw/zinc/95/17/00/919951700.db2.gz OQELQXPRILRRHT-TUAOUCFPSA-N 1 1 324.385 -1.672 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1nnc[nH]1 ZINC001369479894 919952206 /nfs/dbraw/zinc/95/22/06/919952206.db2.gz MERSUEGZYMPNQP-VIFPVBQESA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001369478663 919954654 /nfs/dbraw/zinc/95/46/54/919954654.db2.gz YYVIZZBBZKVPFL-AEJSXWLSSA-N 1 1 310.358 -2.155 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369484346 919956201 /nfs/dbraw/zinc/95/62/01/919956201.db2.gz SWKNHDIQLUTAJY-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001369482610 919958350 /nfs/dbraw/zinc/95/83/50/919958350.db2.gz VGSZHLISNCZZKM-GFCCVEGCSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ncc[nH]1 ZINC001369486286 919961733 /nfs/dbraw/zinc/96/17/33/919961733.db2.gz SHQSRPBGFQUTCM-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)CNCc1ncnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369489298 919962000 /nfs/dbraw/zinc/96/20/00/919962000.db2.gz ZNJRTWUZKPPOCD-NEPJUHHUSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1ccnc1 ZINC001369489737 919962879 /nfs/dbraw/zinc/96/28/79/919962879.db2.gz MQTGQFDWLXZHLX-LLVKDONJSA-N 1 1 307.358 -1.379 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(C)O ZINC001369492914 919964432 /nfs/dbraw/zinc/96/44/32/919964432.db2.gz GEQWDOMIERCBNF-SECBINFHSA-N 1 1 318.374 -1.907 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(C)O ZINC001369492914 919964441 /nfs/dbraw/zinc/96/44/41/919964441.db2.gz GEQWDOMIERCBNF-SECBINFHSA-N 1 1 318.374 -1.907 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001369499089 919964529 /nfs/dbraw/zinc/96/45/29/919964529.db2.gz WEXWXBVLDMPQIQ-PWSUYJOCSA-N 1 1 316.402 -1.602 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001369499089 919964542 /nfs/dbraw/zinc/96/45/42/919964542.db2.gz WEXWXBVLDMPQIQ-PWSUYJOCSA-N 1 1 316.402 -1.602 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492008 919966076 /nfs/dbraw/zinc/96/60/76/919966076.db2.gz CFQAEPWRIPXHLU-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492008 919966090 /nfs/dbraw/zinc/96/60/90/919966090.db2.gz CFQAEPWRIPXHLU-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001369495566 919967078 /nfs/dbraw/zinc/96/70/78/919967078.db2.gz PAADBOSWYKCHMH-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001369495570 919967113 /nfs/dbraw/zinc/96/71/13/919967113.db2.gz PAADBOSWYKCHMH-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369499019 919967322 /nfs/dbraw/zinc/96/73/22/919967322.db2.gz QBMSWVRTEOCNOH-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369499020 919967587 /nfs/dbraw/zinc/96/75/87/919967587.db2.gz QBMSWVRTEOCNOH-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493913 919967935 /nfs/dbraw/zinc/96/79/35/919967935.db2.gz KEKNEEIZSUPXKH-GHMZBOCLSA-N 1 1 315.370 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493913 919967949 /nfs/dbraw/zinc/96/79/49/919967949.db2.gz KEKNEEIZSUPXKH-GHMZBOCLSA-N 1 1 315.370 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cn1ncn(C)c1=O ZINC001369501187 919969678 /nfs/dbraw/zinc/96/96/78/919969678.db2.gz BHYXITPHKJNBRM-NSHDSACASA-N 1 1 315.374 -2.285 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505184 919970518 /nfs/dbraw/zinc/97/05/18/919970518.db2.gz HPUNDGHOXCBTJN-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505184 919970529 /nfs/dbraw/zinc/97/05/29/919970529.db2.gz HPUNDGHOXCBTJN-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(CC(N)=O)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369505006 919970663 /nfs/dbraw/zinc/97/06/63/919970663.db2.gz PMLJPAUGWQTOIS-RYUDHWBXSA-N 1 1 300.403 -1.293 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001369507330 919970947 /nfs/dbraw/zinc/97/09/47/919970947.db2.gz MOHFBKXJTSGTIB-SECBINFHSA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001369507330 919970965 /nfs/dbraw/zinc/97/09/65/919970965.db2.gz MOHFBKXJTSGTIB-SECBINFHSA-N 1 1 300.359 -1.268 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505180 919971166 /nfs/dbraw/zinc/97/11/66/919971166.db2.gz HPUNDGHOXCBTJN-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505180 919971186 /nfs/dbraw/zinc/97/11/86/919971186.db2.gz HPUNDGHOXCBTJN-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001369505136 919971508 /nfs/dbraw/zinc/97/15/08/919971508.db2.gz QNZZOULBPSZGSJ-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001369505136 919971521 /nfs/dbraw/zinc/97/15/21/919971521.db2.gz QNZZOULBPSZGSJ-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1c[nH]c(=O)n1C ZINC001369506877 919972012 /nfs/dbraw/zinc/97/20/12/919972012.db2.gz URKGXAHNXPZFGE-JTQLQIEISA-N 1 1 300.359 -1.127 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001369500133 919972136 /nfs/dbraw/zinc/97/21/36/919972136.db2.gz TUGIENCAYSQXRW-WDEREUQCSA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001369500133 919972146 /nfs/dbraw/zinc/97/21/46/919972146.db2.gz TUGIENCAYSQXRW-WDEREUQCSA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CCCS1(=O)=O ZINC001369501564 919972261 /nfs/dbraw/zinc/97/22/61/919972261.db2.gz IDCNXSYKVUQSHP-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCCS1(=O)=O ZINC001369501564 919972273 /nfs/dbraw/zinc/97/22/73/919972273.db2.gz IDCNXSYKVUQSHP-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCNC(=O)C1 ZINC001369499896 919973612 /nfs/dbraw/zinc/97/36/12/919973612.db2.gz CKMOTLCKVQHBBE-NSHDSACASA-N 1 1 302.375 -2.838 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001369500132 919973686 /nfs/dbraw/zinc/97/36/86/919973686.db2.gz TUGIENCAYSQXRW-QWRGUYRKSA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001369500132 919973694 /nfs/dbraw/zinc/97/36/94/919973694.db2.gz TUGIENCAYSQXRW-QWRGUYRKSA-N 1 1 302.375 -2.447 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001369502931 919973967 /nfs/dbraw/zinc/97/39/67/919973967.db2.gz FDGYBMDQJZFJQH-ZJUUUORDSA-N 1 1 312.374 -1.556 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn2c1CCC2 ZINC001369503246 919974270 /nfs/dbraw/zinc/97/42/70/919974270.db2.gz DXABKINVPJERJY-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn2c1CCC2 ZINC001369503246 919974278 /nfs/dbraw/zinc/97/42/78/919974278.db2.gz DXABKINVPJERJY-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369504423 919974307 /nfs/dbraw/zinc/97/43/07/919974307.db2.gz OFPJMIAIZGTCRH-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001369510243 919975945 /nfs/dbraw/zinc/97/59/45/919975945.db2.gz SAUAEEYPMBTWMZ-QWRGUYRKSA-N 1 1 324.385 -1.590 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001369508385 919977190 /nfs/dbraw/zinc/97/71/90/919977190.db2.gz YOHPDFIBHZQRTA-GHMZBOCLSA-N 1 1 316.402 -1.663 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001369508385 919977198 /nfs/dbraw/zinc/97/71/98/919977198.db2.gz YOHPDFIBHZQRTA-GHMZBOCLSA-N 1 1 316.402 -1.663 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369510826 919977230 /nfs/dbraw/zinc/97/72/30/919977230.db2.gz BPFLKEOXLUODSO-UWVGGRQHSA-N 1 1 301.347 -1.823 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001369510239 919977511 /nfs/dbraw/zinc/97/75/11/919977511.db2.gz SAUAEEYPMBTWMZ-GHMZBOCLSA-N 1 1 324.385 -1.590 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)[nH]1 ZINC001369510863 919977965 /nfs/dbraw/zinc/97/79/65/919977965.db2.gz UFUFQKMFRMIKFR-QWRGUYRKSA-N 1 1 324.385 -1.705 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001369509695 919978198 /nfs/dbraw/zinc/97/81/98/919978198.db2.gz ZDMKTEXBMAYQAL-NWDGAFQWSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCN(C)C1=O ZINC001369510490 919978262 /nfs/dbraw/zinc/97/82/62/919978262.db2.gz PZPNKHPEGFPDCR-VXGBXAGGSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001369509726 919978843 /nfs/dbraw/zinc/97/88/43/919978843.db2.gz DODZKDNYTYRJGK-LLVKDONJSA-N 1 1 324.385 -1.669 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001369509726 919978858 /nfs/dbraw/zinc/97/88/58/919978858.db2.gz DODZKDNYTYRJGK-LLVKDONJSA-N 1 1 324.385 -1.669 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001369510928 919979356 /nfs/dbraw/zinc/97/93/56/919979356.db2.gz UPQCXLHHRXBUHB-SCZZXKLOSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001369510928 919979367 /nfs/dbraw/zinc/97/93/67/919979367.db2.gz UPQCXLHHRXBUHB-SCZZXKLOSA-N 1 1 312.374 -1.719 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001369521839 919980754 /nfs/dbraw/zinc/98/07/54/919980754.db2.gz YBRUVXBRNLHDIC-UWVGGRQHSA-N 1 1 302.331 -1.558 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001369515552 919981271 /nfs/dbraw/zinc/98/12/71/919981271.db2.gz JBMSCTCSUIHYCR-ZJUUUORDSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001369515552 919981281 /nfs/dbraw/zinc/98/12/81/919981281.db2.gz JBMSCTCSUIHYCR-ZJUUUORDSA-N 1 1 312.374 -1.464 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369517630 919982130 /nfs/dbraw/zinc/98/21/30/919982130.db2.gz IZSBCMSBRPLXLU-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369517630 919982140 /nfs/dbraw/zinc/98/21/40/919982140.db2.gz IZSBCMSBRPLXLU-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccn(C)n1)[C@@H]1CCNC1=O ZINC001369551407 919982319 /nfs/dbraw/zinc/98/23/19/919982319.db2.gz GNJQKOHGGUBZAV-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccn(C)n1)[C@@H]1CCNC1=O ZINC001369551407 919982335 /nfs/dbraw/zinc/98/23/35/919982335.db2.gz GNJQKOHGGUBZAV-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)C(N)=O ZINC001369548682 919982357 /nfs/dbraw/zinc/98/23/57/919982357.db2.gz ICBHYAJHENBAIC-NEPJUHHUSA-N 1 1 316.402 -1.745 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)C(N)=O ZINC001369548682 919982365 /nfs/dbraw/zinc/98/23/65/919982365.db2.gz ICBHYAJHENBAIC-NEPJUHHUSA-N 1 1 316.402 -1.745 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520848 919982446 /nfs/dbraw/zinc/98/24/46/919982446.db2.gz WRQGMCHQUMSTRR-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520848 919982453 /nfs/dbraw/zinc/98/24/53/919982453.db2.gz WRQGMCHQUMSTRR-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001369515549 919982579 /nfs/dbraw/zinc/98/25/79/919982579.db2.gz JBMSCTCSUIHYCR-VHSXEESVSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001369515549 919982585 /nfs/dbraw/zinc/98/25/85/919982585.db2.gz JBMSCTCSUIHYCR-VHSXEESVSA-N 1 1 312.374 -1.464 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001369516068 919983093 /nfs/dbraw/zinc/98/30/93/919983093.db2.gz ZNZXMDPYTSEMSD-LLVKDONJSA-N 1 1 312.370 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccc(C(N)=O)nc1 ZINC001369524773 919983872 /nfs/dbraw/zinc/98/38/72/919983872.db2.gz PQMKFNAPZUORMD-NSHDSACASA-N 1 1 310.354 -1.463 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001369527693 919984061 /nfs/dbraw/zinc/98/40/61/919984061.db2.gz OQUMAUPAMXGOST-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)[C@H]1CCNC1=O ZINC001369556089 919985112 /nfs/dbraw/zinc/98/51/12/919985112.db2.gz YISFUNVBILBOIP-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)[C@H]1CCNC1=O ZINC001369556089 919985127 /nfs/dbraw/zinc/98/51/27/919985127.db2.gz YISFUNVBILBOIP-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C(C)(C)C ZINC001369566076 919985401 /nfs/dbraw/zinc/98/54/01/919985401.db2.gz WCTDDTQLKWMBSA-RKDXNWHRSA-N 1 1 324.389 -1.488 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1nnnn1CC1CC1 ZINC001369571719 919986362 /nfs/dbraw/zinc/98/63/62/919986362.db2.gz XWQBOMMWPTXKJM-LLVKDONJSA-N 1 1 309.374 -1.051 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cccn1)[C@H]1CCNC1=O ZINC001369552978 919986505 /nfs/dbraw/zinc/98/65/05/919986505.db2.gz KOMDKFXVSLEISR-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cccn1)[C@H]1CCNC1=O ZINC001369552978 919986511 /nfs/dbraw/zinc/98/65/11/919986511.db2.gz KOMDKFXVSLEISR-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)CNC(N)=O)C1 ZINC001369623868 919988054 /nfs/dbraw/zinc/98/80/54/919988054.db2.gz BIMXRVUGGNAHJX-ILDUYXDCSA-N 1 1 311.386 -1.240 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)CNC(N)=O)C1 ZINC001369623873 919990219 /nfs/dbraw/zinc/99/02/19/919990219.db2.gz BIMXRVUGGNAHJX-VQXHTEKXSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816872 920001536 /nfs/dbraw/zinc/00/15/36/920001536.db2.gz SJLHWNMRQSPUFF-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816872 920001547 /nfs/dbraw/zinc/00/15/47/920001547.db2.gz SJLHWNMRQSPUFF-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001369822166 920002132 /nfs/dbraw/zinc/00/21/32/920002132.db2.gz SEEAIDCNAZIYOI-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001369862499 920006456 /nfs/dbraw/zinc/00/64/56/920006456.db2.gz ZINDJSRWFFBUJC-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001369862499 920006469 /nfs/dbraw/zinc/00/64/69/920006469.db2.gz ZINDJSRWFFBUJC-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN([C@H]2CCNC2=O)CC1 ZINC001369887385 920007252 /nfs/dbraw/zinc/00/72/52/920007252.db2.gz JTDMHPLPCIZJEG-KBPBESRZSA-N 1 1 323.441 -1.297 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001369862492 920008593 /nfs/dbraw/zinc/00/85/93/920008593.db2.gz ZINDJSRWFFBUJC-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001369862492 920008608 /nfs/dbraw/zinc/00/86/08/920008608.db2.gz ZINDJSRWFFBUJC-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 ZINC001369915875 920010906 /nfs/dbraw/zinc/01/09/06/920010906.db2.gz JJPSKBWGEDXZGM-ZDUSSCGKSA-N 1 1 322.413 -1.201 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369928737 920013960 /nfs/dbraw/zinc/01/39/60/920013960.db2.gz MLZLNWYOIVBOPW-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369928737 920013974 /nfs/dbraw/zinc/01/39/74/920013974.db2.gz MLZLNWYOIVBOPW-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001369921526 920014689 /nfs/dbraw/zinc/01/46/89/920014689.db2.gz YEBAQIZVUSTFNY-CHWSQXEVSA-N 1 1 311.430 -1.312 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369928751 920015072 /nfs/dbraw/zinc/01/50/72/920015072.db2.gz MLZLNWYOIVBOPW-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369928751 920015086 /nfs/dbraw/zinc/01/50/86/920015086.db2.gz MLZLNWYOIVBOPW-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001369927629 920015308 /nfs/dbraw/zinc/01/53/08/920015308.db2.gz GBOGBGQFYZOFCA-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 ZINC001369935276 920017168 /nfs/dbraw/zinc/01/71/68/920017168.db2.gz DPSFYOOCGABLCZ-CYBMUJFWSA-N 1 1 313.446 -1.066 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001369983439 920025104 /nfs/dbraw/zinc/02/51/04/920025104.db2.gz WHGDXMNUYKDJNY-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001369983439 920025121 /nfs/dbraw/zinc/02/51/21/920025121.db2.gz WHGDXMNUYKDJNY-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001369981169 920025396 /nfs/dbraw/zinc/02/53/96/920025396.db2.gz CQKUVAGWYMSTFS-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001369982929 920026358 /nfs/dbraw/zinc/02/63/58/920026358.db2.gz BMMABXBYMGRQCG-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993980 920026974 /nfs/dbraw/zinc/02/69/74/920026974.db2.gz FKRIVWPIXHNSQP-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993980 920026990 /nfs/dbraw/zinc/02/69/90/920026990.db2.gz FKRIVWPIXHNSQP-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001370001736 920029280 /nfs/dbraw/zinc/02/92/80/920029280.db2.gz DCZUTADWCCYSPB-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993964 920029630 /nfs/dbraw/zinc/02/96/30/920029630.db2.gz FKRIVWPIXHNSQP-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993964 920029642 /nfs/dbraw/zinc/02/96/42/920029642.db2.gz FKRIVWPIXHNSQP-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001370006190 920030574 /nfs/dbraw/zinc/03/05/74/920030574.db2.gz PGLXMPJSEPQEHP-NWDGAFQWSA-N 1 1 318.443 -1.180 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008449 920032965 /nfs/dbraw/zinc/03/29/65/920032965.db2.gz KXYVUUIIUIJVNT-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008449 920032976 /nfs/dbraw/zinc/03/29/76/920032976.db2.gz KXYVUUIIUIJVNT-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001370066418 920037188 /nfs/dbraw/zinc/03/71/88/920037188.db2.gz JZUNUDYRUMLFMB-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001370103730 920037654 /nfs/dbraw/zinc/03/76/54/920037654.db2.gz APGKFVLPRDLQGU-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C2CC2)nn1 ZINC001370134454 920040599 /nfs/dbraw/zinc/04/05/99/920040599.db2.gz UBJCRDGQEARGAQ-NSHDSACASA-N 1 1 315.399 -1.156 20 0 DAADMO CCn1ncc(C[NH2+][C@H](CNC(=O)Cn2ncnn2)C2CC2)n1 ZINC001370170943 920042186 /nfs/dbraw/zinc/04/21/86/920042186.db2.gz FLRRUENAMRFIRG-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO O=C(NC[C@H]([NH2+]CCN1CCNC1=O)C1CC1)c1ncn[nH]1 ZINC001370273368 920049305 /nfs/dbraw/zinc/04/93/05/920049305.db2.gz NQQDTSVRFBHIEM-JTQLQIEISA-N 1 1 307.358 -1.072 20 0 DAADMO O=C(NC[C@H]([NH2+]CCN1CCNC1=O)C1CC1)c1nc[nH]n1 ZINC001370273368 920049322 /nfs/dbraw/zinc/04/93/22/920049322.db2.gz NQQDTSVRFBHIEM-JTQLQIEISA-N 1 1 307.358 -1.072 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370292266 920049723 /nfs/dbraw/zinc/04/97/23/920049723.db2.gz APSSANICPSGOSI-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001370368665 920050705 /nfs/dbraw/zinc/05/07/05/920050705.db2.gz YJNFYUBNYVAMLH-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001370362874 920051836 /nfs/dbraw/zinc/05/18/36/920051836.db2.gz JAWIXZSTNATAFZ-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001370449631 920057634 /nfs/dbraw/zinc/05/76/34/920057634.db2.gz YOUJVJNEDORDPV-IWSPIJDZSA-N 1 1 316.387 -1.448 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462655 920060223 /nfs/dbraw/zinc/06/02/23/920060223.db2.gz TXUGUMRRWXHWKU-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462655 920060241 /nfs/dbraw/zinc/06/02/41/920060241.db2.gz TXUGUMRRWXHWKU-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001370489396 920063610 /nfs/dbraw/zinc/06/36/10/920063610.db2.gz LTSBFLHYRGXCHX-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001370541645 920067401 /nfs/dbraw/zinc/06/74/01/920067401.db2.gz NQFYMVBDHFBVIK-MGCOHNPYSA-N 1 1 309.374 -1.138 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001370547855 920070146 /nfs/dbraw/zinc/07/01/46/920070146.db2.gz AQHWWVSCSHMTPF-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001370620912 920076107 /nfs/dbraw/zinc/07/61/07/920076107.db2.gz WWFUGDFKGPWVAI-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCOC)C1 ZINC001370631485 920077054 /nfs/dbraw/zinc/07/70/54/920077054.db2.gz BDAMIHAOEIMBJD-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCOC)C1 ZINC001370631485 920077074 /nfs/dbraw/zinc/07/70/74/920077074.db2.gz BDAMIHAOEIMBJD-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C2=COCCO2)C1 ZINC001370635391 920078083 /nfs/dbraw/zinc/07/80/83/920078083.db2.gz IZIJCNXTJBTKNT-MNOVXSKESA-N 1 1 313.354 -1.580 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C2=COCCO2)C1 ZINC001370635395 920079316 /nfs/dbraw/zinc/07/93/16/920079316.db2.gz IZIJCNXTJBTKNT-QWRGUYRKSA-N 1 1 313.354 -1.580 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)cnn1C ZINC001370651260 920088229 /nfs/dbraw/zinc/08/82/29/920088229.db2.gz NRKQJCKVDAWKDP-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O ZINC001370666301 920097267 /nfs/dbraw/zinc/09/72/67/920097267.db2.gz KOBCFRTWJHOJKT-IUCAKERBSA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CNC(N)=O ZINC001370666285 920098644 /nfs/dbraw/zinc/09/86/44/920098644.db2.gz KOBCFRTWJHOJKT-BDAKNGLRSA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670651 920099538 /nfs/dbraw/zinc/09/95/38/920099538.db2.gz FBNWUBTYDSLCAC-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670651 920099546 /nfs/dbraw/zinc/09/95/46/920099546.db2.gz FBNWUBTYDSLCAC-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cncn1 ZINC001370669604 920100332 /nfs/dbraw/zinc/10/03/32/920100332.db2.gz PWXZVNLHAQFVLT-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1nccc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001370675739 920105510 /nfs/dbraw/zinc/10/55/10/920105510.db2.gz YMGVZVMFIVVJMZ-WCQYABFASA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001370683360 920112169 /nfs/dbraw/zinc/11/21/69/920112169.db2.gz FHCMUBMIFJRRPB-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001370681251 920112578 /nfs/dbraw/zinc/11/25/78/920112578.db2.gz HXTCKQVEYLEGSG-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001370688258 920118105 /nfs/dbraw/zinc/11/81/05/920118105.db2.gz LJQFYMILUCDQPX-GXSJLCMTSA-N 1 1 310.358 -1.884 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001370698702 920127503 /nfs/dbraw/zinc/12/75/03/920127503.db2.gz NLEIZFQJEBZFKP-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCNC(N)=O)C1 ZINC001370708437 920133455 /nfs/dbraw/zinc/13/34/55/920133455.db2.gz QZZMXRJKTCAPOQ-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370710288 920135129 /nfs/dbraw/zinc/13/51/29/920135129.db2.gz VZVOUHYEMXYBGU-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001370709697 920135658 /nfs/dbraw/zinc/13/56/58/920135658.db2.gz VMBQWGUFVDHQFB-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001370709696 920135858 /nfs/dbraw/zinc/13/58/58/920135858.db2.gz VMBQWGUFVDHQFB-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001370710322 920136331 /nfs/dbraw/zinc/13/63/31/920136331.db2.gz WQHWJHVUXWVVBX-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CS(C)(=O)=O)C1 ZINC001370710837 920136474 /nfs/dbraw/zinc/13/64/74/920136474.db2.gz YZGQLVRRMYNLGB-NXEZZACHSA-N 1 1 321.399 -2.424 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001370713200 920138042 /nfs/dbraw/zinc/13/80/42/920138042.db2.gz UVPAOOJFVJRPMG-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370718336 920138460 /nfs/dbraw/zinc/13/84/60/920138460.db2.gz JHOUDRLKSBOSDK-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001370713199 920139259 /nfs/dbraw/zinc/13/92/59/920139259.db2.gz UVPAOOJFVJRPMG-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001370724923 920141716 /nfs/dbraw/zinc/14/17/16/920141716.db2.gz NAPHPUDKTUPKAH-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001370726336 920144465 /nfs/dbraw/zinc/14/44/65/920144465.db2.gz CEVOMLYDDVVXNS-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001370735984 920147341 /nfs/dbraw/zinc/14/73/41/920147341.db2.gz SKUGZDOREFMYKQ-AOOOYVTPSA-N 1 1 315.399 -1.013 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)CCC1 ZINC001370737746 920151211 /nfs/dbraw/zinc/15/12/11/920151211.db2.gz WENPZUZPXGMGKH-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001370745051 920152360 /nfs/dbraw/zinc/15/23/60/920152360.db2.gz NSBRJAOSEBECRS-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H](O)C(C)C ZINC001370745205 920153269 /nfs/dbraw/zinc/15/32/69/920153269.db2.gz TWPLCIAGRMVUAD-WCQYABFASA-N 1 1 312.370 -1.198 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001370753054 920158119 /nfs/dbraw/zinc/15/81/19/920158119.db2.gz CIBSNPOLMSXBQT-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370751400 920158364 /nfs/dbraw/zinc/15/83/64/920158364.db2.gz IDSMDFSYFWIVJY-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)COCC(F)F ZINC001370751160 920158387 /nfs/dbraw/zinc/15/83/87/920158387.db2.gz AIXNTSYGZCJYMC-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ncn(C)n1 ZINC001370756660 920160653 /nfs/dbraw/zinc/16/06/53/920160653.db2.gz IVMGMXWVLXKWSS-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001370765534 920162559 /nfs/dbraw/zinc/16/25/59/920162559.db2.gz DGICXONCRPAAJQ-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001370765534 920162563 /nfs/dbraw/zinc/16/25/63/920162563.db2.gz DGICXONCRPAAJQ-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001370766224 920164956 /nfs/dbraw/zinc/16/49/56/920164956.db2.gz FTWSZONZTNHSNX-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC001370766612 920166737 /nfs/dbraw/zinc/16/67/37/920166737.db2.gz VOLDNFWYMHLSEM-JTQLQIEISA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001370811205 920186150 /nfs/dbraw/zinc/18/61/50/920186150.db2.gz UHGBGBYBDIOMDP-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001370810709 920186171 /nfs/dbraw/zinc/18/61/71/920186171.db2.gz VFQOUZNIDTZODU-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001370811207 920186210 /nfs/dbraw/zinc/18/62/10/920186210.db2.gz UHGBGBYBDIOMDP-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001370913373 920191573 /nfs/dbraw/zinc/19/15/73/920191573.db2.gz RRUVILBQGCZZIH-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnnn1C ZINC001370987541 920205646 /nfs/dbraw/zinc/20/56/46/920205646.db2.gz CXHHOAOMFOSOJX-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1([NH+](C)C)CCC1 ZINC001370993151 920208437 /nfs/dbraw/zinc/20/84/37/920208437.db2.gz BMBDDNBDKYJDTO-SNVBAGLBSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001370993151 920208456 /nfs/dbraw/zinc/20/84/56/920208456.db2.gz BMBDDNBDKYJDTO-SNVBAGLBSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1 ZINC001371014391 920214199 /nfs/dbraw/zinc/21/41/99/920214199.db2.gz AJNFLRIMZGAZFQ-DZZVYXNESA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1 ZINC001371014391 920214210 /nfs/dbraw/zinc/21/42/10/920214210.db2.gz AJNFLRIMZGAZFQ-DZZVYXNESA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018379 920216710 /nfs/dbraw/zinc/21/67/10/920216710.db2.gz RYDJJOVXQFISDM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018379 920216727 /nfs/dbraw/zinc/21/67/27/920216727.db2.gz RYDJJOVXQFISDM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001371028047 920219445 /nfs/dbraw/zinc/21/94/45/920219445.db2.gz LSZZKIMRWHNMMK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001371028047 920219470 /nfs/dbraw/zinc/21/94/70/920219470.db2.gz LSZZKIMRWHNMMK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001371028047 920219479 /nfs/dbraw/zinc/21/94/79/920219479.db2.gz LSZZKIMRWHNMMK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001371028047 920219492 /nfs/dbraw/zinc/21/94/92/920219492.db2.gz LSZZKIMRWHNMMK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001371028047 920219506 /nfs/dbraw/zinc/21/95/06/920219506.db2.gz LSZZKIMRWHNMMK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO C[C@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034661 920223218 /nfs/dbraw/zinc/22/32/18/920223218.db2.gz GUBJRXNVDJEGGQ-VLLVSFFDSA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034661 920223233 /nfs/dbraw/zinc/22/32/33/920223233.db2.gz GUBJRXNVDJEGGQ-VLLVSFFDSA-N 1 1 324.381 -1.100 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001371034658 920223518 /nfs/dbraw/zinc/22/35/18/920223518.db2.gz GCFBDVYVVCKJAC-OBPIAQAESA-N 1 1 311.382 -1.027 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001371039422 920225821 /nfs/dbraw/zinc/22/58/21/920225821.db2.gz FMXLKNQEPLLCLR-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001371039416 920227090 /nfs/dbraw/zinc/22/70/90/920227090.db2.gz FMXLKNQEPLLCLR-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001371103964 920229305 /nfs/dbraw/zinc/22/93/05/920229305.db2.gz LDBSORXIEREUMQ-JTQLQIEISA-N 1 1 324.385 -1.119 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1CCCC1=O)c1nnnn1C ZINC001371102996 920229828 /nfs/dbraw/zinc/22/98/28/920229828.db2.gz JFQXSFNKNKDRAY-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+][C@@H](C)c1nnnn1C ZINC001371102994 920230287 /nfs/dbraw/zinc/23/02/87/920230287.db2.gz JFQXSFNKNKDRAY-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371236561 920239468 /nfs/dbraw/zinc/23/94/68/920239468.db2.gz BMBKISKZFPTVMC-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncccn1 ZINC001371305987 920243674 /nfs/dbraw/zinc/24/36/74/920243674.db2.gz JPUFSWOVYSVDEI-LLVKDONJSA-N 1 1 306.370 -1.497 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001371308169 920243706 /nfs/dbraw/zinc/24/37/06/920243706.db2.gz PKDVAEXZFREXIB-UWVGGRQHSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001371308173 920245260 /nfs/dbraw/zinc/24/52/60/920245260.db2.gz PKDVAEXZFREXIB-VHSXEESVSA-N 1 1 309.374 -1.084 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001371327069 920246959 /nfs/dbraw/zinc/24/69/59/920246959.db2.gz MZUJMLXZKIIMED-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001371341786 920247376 /nfs/dbraw/zinc/24/73/76/920247376.db2.gz LGQBRGFJDKTXFU-INTQDDNPSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001371622516 920291125 /nfs/dbraw/zinc/29/11/25/920291125.db2.gz UQXXRAMZOCYCOZ-OLZOCXBDSA-N 1 1 312.414 -1.122 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001371858831 920307050 /nfs/dbraw/zinc/30/70/50/920307050.db2.gz WTNJWTIEDGEHNZ-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001371858831 920307069 /nfs/dbraw/zinc/30/70/69/920307069.db2.gz WTNJWTIEDGEHNZ-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001371858831 920307089 /nfs/dbraw/zinc/30/70/89/920307089.db2.gz WTNJWTIEDGEHNZ-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001371858831 920307106 /nfs/dbraw/zinc/30/71/06/920307106.db2.gz WTNJWTIEDGEHNZ-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001371858831 920307122 /nfs/dbraw/zinc/30/71/22/920307122.db2.gz WTNJWTIEDGEHNZ-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001371911971 920308530 /nfs/dbraw/zinc/30/85/30/920308530.db2.gz MUUNVMMHBIYVII-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001371911971 920308543 /nfs/dbraw/zinc/30/85/43/920308543.db2.gz MUUNVMMHBIYVII-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001371921085 920308997 /nfs/dbraw/zinc/30/89/97/920308997.db2.gz YLHDWWHHGDVEQM-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001371921085 920309013 /nfs/dbraw/zinc/30/90/13/920309013.db2.gz YLHDWWHHGDVEQM-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001371919594 920309053 /nfs/dbraw/zinc/30/90/53/920309053.db2.gz AENZQLFJWCLUSK-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001371919594 920309062 /nfs/dbraw/zinc/30/90/62/920309062.db2.gz AENZQLFJWCLUSK-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001371965656 920314048 /nfs/dbraw/zinc/31/40/48/920314048.db2.gz SSCZLWMQKRENGP-QMMMGPOBSA-N 1 1 315.330 -2.012 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001371965656 920314053 /nfs/dbraw/zinc/31/40/53/920314053.db2.gz SSCZLWMQKRENGP-QMMMGPOBSA-N 1 1 315.330 -2.012 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001371965650 920315389 /nfs/dbraw/zinc/31/53/89/920315389.db2.gz SSCZLWMQKRENGP-MRVPVSSYSA-N 1 1 315.330 -2.012 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001371965650 920315407 /nfs/dbraw/zinc/31/54/07/920315407.db2.gz SSCZLWMQKRENGP-MRVPVSSYSA-N 1 1 315.330 -2.012 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CNC(=O)NC)CC1 ZINC001371981915 920317319 /nfs/dbraw/zinc/31/73/19/920317319.db2.gz RGEUFORIZQNXSL-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn2c(n1)CCC2 ZINC001371968110 920317900 /nfs/dbraw/zinc/31/79/00/920317900.db2.gz FNHFMVHBLYHICN-UHFFFAOYSA-N 1 1 322.369 -1.054 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn2c(n1)CCC2 ZINC001371968110 920317908 /nfs/dbraw/zinc/31/79/08/920317908.db2.gz FNHFMVHBLYHICN-UHFFFAOYSA-N 1 1 322.369 -1.054 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001371968506 920318221 /nfs/dbraw/zinc/31/82/21/920318221.db2.gz CWAJTCCQIKYEOJ-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC[C@@H]1CCCO1 ZINC001371970927 920318304 /nfs/dbraw/zinc/31/83/04/920318304.db2.gz UGMIMQPUQJLTBJ-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CNC(=O)NC)CC1 ZINC001371983046 920318952 /nfs/dbraw/zinc/31/89/52/920318952.db2.gz VVJBSNHSDXHXEI-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)CCNS(C)(=O)=O ZINC001371997893 920320469 /nfs/dbraw/zinc/32/04/69/920320469.db2.gz NDRUOLZWUHMZOU-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)CCNS(C)(=O)=O ZINC001371997893 920320479 /nfs/dbraw/zinc/32/04/79/920320479.db2.gz NDRUOLZWUHMZOU-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001372006521 920322518 /nfs/dbraw/zinc/32/25/18/920322518.db2.gz QFPUHHXMSUHZAI-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001372000945 920323099 /nfs/dbraw/zinc/32/30/99/920323099.db2.gz WJEGDBQMPHYDDK-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001372000945 920323113 /nfs/dbraw/zinc/32/31/13/920323113.db2.gz WJEGDBQMPHYDDK-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO COc1cnc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)nc1 ZINC001372028432 920327710 /nfs/dbraw/zinc/32/77/10/920327710.db2.gz LLEWMDWOJJNBIF-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cnc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)nc1 ZINC001372028432 920327728 /nfs/dbraw/zinc/32/77/28/920327728.db2.gz LLEWMDWOJJNBIF-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001372052227 920329462 /nfs/dbraw/zinc/32/94/62/920329462.db2.gz KKMGLMWFFWTGOE-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001372052227 920329480 /nfs/dbraw/zinc/32/94/80/920329480.db2.gz KKMGLMWFFWTGOE-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CCN1CCNC1=O ZINC001372058889 920331641 /nfs/dbraw/zinc/33/16/41/920331641.db2.gz LXTBZXMBNWWSTF-QWRGUYRKSA-N 1 1 311.386 -1.429 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)C(=O)CNC(N)=O)C1 ZINC001372077228 920332956 /nfs/dbraw/zinc/33/29/56/920332956.db2.gz YHMRSVAFPVBQPD-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001372093227 920336932 /nfs/dbraw/zinc/33/69/32/920336932.db2.gz RDULIYHLYXABFZ-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001372093227 920336947 /nfs/dbraw/zinc/33/69/47/920336947.db2.gz RDULIYHLYXABFZ-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001372109565 920337061 /nfs/dbraw/zinc/33/70/61/920337061.db2.gz OYVZKJWSSMYBHZ-MXWKQRLJSA-N 1 1 317.411 -1.410 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001372109565 920337072 /nfs/dbraw/zinc/33/70/72/920337072.db2.gz OYVZKJWSSMYBHZ-MXWKQRLJSA-N 1 1 317.411 -1.410 20 0 DAADMO CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)c2nnn(C)n2)C1=O ZINC001372129352 920341280 /nfs/dbraw/zinc/34/12/80/920341280.db2.gz ISBLNUORFJPTOO-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)c2nnn(C)n2)C1=O ZINC001372129352 920341299 /nfs/dbraw/zinc/34/12/99/920341299.db2.gz ISBLNUORFJPTOO-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1cncn1C ZINC001372186390 920343509 /nfs/dbraw/zinc/34/35/09/920343509.db2.gz ZDGBYQONEVQNNW-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC001372186390 920343522 /nfs/dbraw/zinc/34/35/22/920343522.db2.gz ZDGBYQONEVQNNW-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001372210296 920348024 /nfs/dbraw/zinc/34/80/24/920348024.db2.gz LJSLJJJOGAXDSP-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001372226071 920349508 /nfs/dbraw/zinc/34/95/08/920349508.db2.gz ABWBFWKNQLZICK-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001372226071 920349526 /nfs/dbraw/zinc/34/95/26/920349526.db2.gz ABWBFWKNQLZICK-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1)C1CCC1 ZINC001372271449 920358629 /nfs/dbraw/zinc/35/86/29/920358629.db2.gz SRJUYFJXKLQLRV-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CN(C(C)=O)C1)C[C@H](O)COC ZINC001372320101 920364045 /nfs/dbraw/zinc/36/40/45/920364045.db2.gz PASBGBVNKTVFKW-ZDUSSCGKSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(=O)NC)[C@@H]1CCN(C)C1=O ZINC001372326664 920364168 /nfs/dbraw/zinc/36/41/68/920364168.db2.gz QNEFTBMBUAAMTQ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(=O)NC)[C@H]1CCN(C)C1=O ZINC001372326668 920365257 /nfs/dbraw/zinc/36/52/57/920365257.db2.gz QNEFTBMBUAAMTQ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CCN1CCNC1=O ZINC001372399441 920366982 /nfs/dbraw/zinc/36/69/82/920366982.db2.gz PKVXUCCSRSWYJT-UHFFFAOYSA-N 1 1 322.369 -1.153 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@@H](C)C(N)=O ZINC001372384787 920369356 /nfs/dbraw/zinc/36/93/56/920369356.db2.gz SDLMMLBEGBVAJI-ONGXEEELSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@@H](C)C(N)=O ZINC001372384787 920369370 /nfs/dbraw/zinc/36/93/70/920369370.db2.gz SDLMMLBEGBVAJI-ONGXEEELSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)CC(=O)NC ZINC001372431389 920371915 /nfs/dbraw/zinc/37/19/15/920371915.db2.gz VFCPRASXWVTRCI-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)CC(=O)NC ZINC001372431389 920371928 /nfs/dbraw/zinc/37/19/28/920371928.db2.gz VFCPRASXWVTRCI-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnn(C)n1)CC(=O)N1CCOCC1 ZINC001372434775 920371959 /nfs/dbraw/zinc/37/19/59/920371959.db2.gz RJGWAHJZAUXNQL-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)n1)CC(=O)N1CCOCC1 ZINC001372434775 920371973 /nfs/dbraw/zinc/37/19/73/920371973.db2.gz RJGWAHJZAUXNQL-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001372491304 920376653 /nfs/dbraw/zinc/37/66/53/920376653.db2.gz LUDMAYDDZXDMOG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001372492950 920378404 /nfs/dbraw/zinc/37/84/04/920378404.db2.gz QZYMNTSJIHDCJK-JTQLQIEISA-N 1 1 308.342 -1.341 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001372492950 920378417 /nfs/dbraw/zinc/37/84/17/920378417.db2.gz QZYMNTSJIHDCJK-JTQLQIEISA-N 1 1 308.342 -1.341 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001372507216 920380088 /nfs/dbraw/zinc/38/00/88/920380088.db2.gz DPAWXLURJXROMH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001372507216 920380105 /nfs/dbraw/zinc/38/01/05/920380105.db2.gz DPAWXLURJXROMH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1 ZINC001372513969 920381688 /nfs/dbraw/zinc/38/16/88/920381688.db2.gz NVOJRCNPJGSHLU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1 ZINC001372513969 920381704 /nfs/dbraw/zinc/38/17/04/920381704.db2.gz NVOJRCNPJGSHLU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001372532153 920383986 /nfs/dbraw/zinc/38/39/86/920383986.db2.gz LJTFMSXPVNIFPR-SNVBAGLBSA-N 1 1 310.395 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001372531439 920384027 /nfs/dbraw/zinc/38/40/27/920384027.db2.gz IGFNXRZILZWOJB-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001372531439 920384042 /nfs/dbraw/zinc/38/40/42/920384042.db2.gz IGFNXRZILZWOJB-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001372586575 920385335 /nfs/dbraw/zinc/38/53/35/920385335.db2.gz ADWHPHGXXNDDEA-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001372608622 920390639 /nfs/dbraw/zinc/39/06/39/920390639.db2.gz MRUOAKDUTZXRHA-MNOVXSKESA-N 1 1 312.370 -1.083 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001372604405 920391694 /nfs/dbraw/zinc/39/16/94/920391694.db2.gz CJUHHFZIYTXKQK-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001372608620 920392057 /nfs/dbraw/zinc/39/20/57/920392057.db2.gz MRUOAKDUTZXRHA-GHMZBOCLSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001372611438 920392166 /nfs/dbraw/zinc/39/21/66/920392166.db2.gz BHIAITBPSJZZQI-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001372617425 920392777 /nfs/dbraw/zinc/39/27/77/920392777.db2.gz MCNXZOOURJVGTN-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001372629779 920393205 /nfs/dbraw/zinc/39/32/05/920393205.db2.gz UGLFLIGFEIDMGN-RYUDHWBXSA-N 1 1 324.381 -1.161 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001372623493 920394417 /nfs/dbraw/zinc/39/44/17/920394417.db2.gz DFDPVNWUNRPETH-UMNHJUIQSA-N 1 1 323.397 -1.085 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001372624325 920394900 /nfs/dbraw/zinc/39/49/00/920394900.db2.gz IZSWNSGJBJTLIJ-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372615624 920395862 /nfs/dbraw/zinc/39/58/62/920395862.db2.gz SAVFWRBUGFSTOY-VIFPVBQESA-N 1 1 323.357 -1.455 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001372620208 920395906 /nfs/dbraw/zinc/39/59/06/920395906.db2.gz QVNFEZGFTQJBDT-JTQLQIEISA-N 1 1 318.399 -2.055 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001372677334 920397160 /nfs/dbraw/zinc/39/71/60/920397160.db2.gz DKTXBMILZJFBEW-NSHDSACASA-N 1 1 323.397 -1.088 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001372668317 920397495 /nfs/dbraw/zinc/39/74/95/920397495.db2.gz RTSBLQNTJXEIEY-LLVKDONJSA-N 1 1 324.385 -1.926 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001372666575 920398700 /nfs/dbraw/zinc/39/87/00/920398700.db2.gz PMAGYJXWFQPPLA-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001372711356 920401624 /nfs/dbraw/zinc/40/16/24/920401624.db2.gz FUZSISFFDIQMDQ-DCQANWLSSA-N 1 1 323.397 -1.560 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001372722807 920402165 /nfs/dbraw/zinc/40/21/65/920402165.db2.gz PXYDTFHOKRDTJL-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(=O)NC ZINC001372739279 920405767 /nfs/dbraw/zinc/40/57/67/920405767.db2.gz RZSFCJMTBRXHMY-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(=O)NC ZINC001372739279 920405773 /nfs/dbraw/zinc/40/57/73/920405773.db2.gz RZSFCJMTBRXHMY-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CCN1CC[C@@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001372761635 920408675 /nfs/dbraw/zinc/40/86/75/920408675.db2.gz JBGZVBGLSCVBBX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001372761635 920408685 /nfs/dbraw/zinc/40/86/85/920408685.db2.gz JBGZVBGLSCVBBX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1)N1CCC1 ZINC001372800478 920413150 /nfs/dbraw/zinc/41/31/50/920413150.db2.gz KIUOCIYHZPTGMH-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1)N1CCC1 ZINC001372800478 920413158 /nfs/dbraw/zinc/41/31/58/920413158.db2.gz KIUOCIYHZPTGMH-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799748 920413475 /nfs/dbraw/zinc/41/34/75/920413475.db2.gz JADNCNQMKRJUCB-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799748 920413485 /nfs/dbraw/zinc/41/34/85/920413485.db2.gz JADNCNQMKRJUCB-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812171 920416001 /nfs/dbraw/zinc/41/60/01/920416001.db2.gz APAKFKOSJUPZNU-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812171 920416006 /nfs/dbraw/zinc/41/60/06/920416006.db2.gz APAKFKOSJUPZNU-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812168 920416038 /nfs/dbraw/zinc/41/60/38/920416038.db2.gz APAKFKOSJUPZNU-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812168 920416044 /nfs/dbraw/zinc/41/60/44/920416044.db2.gz APAKFKOSJUPZNU-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818291 920417770 /nfs/dbraw/zinc/41/77/70/920417770.db2.gz JBKJMKAYKYBKHH-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818291 920417778 /nfs/dbraw/zinc/41/77/78/920417778.db2.gz JBKJMKAYKYBKHH-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CC(=O)NC(N)=O)C1CC1 ZINC001372846126 920422211 /nfs/dbraw/zinc/42/22/11/920422211.db2.gz XBERNCAEWPGUPO-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)Cc1cnoc1)C1CC1 ZINC001372860441 920423941 /nfs/dbraw/zinc/42/39/41/920423941.db2.gz KDATUVNOXWXSKU-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)Cc1cnoc1)C1CC1 ZINC001372860441 920423958 /nfs/dbraw/zinc/42/39/58/920423958.db2.gz KDATUVNOXWXSKU-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001372855787 920424608 /nfs/dbraw/zinc/42/46/08/920424608.db2.gz BASNWHLMFHXMDS-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001372855787 920424618 /nfs/dbraw/zinc/42/46/18/920424618.db2.gz BASNWHLMFHXMDS-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001372857945 920425724 /nfs/dbraw/zinc/42/57/24/920425724.db2.gz GFGNHCSWFWAOKX-NSHDSACASA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)N1CCC1 ZINC001372869793 920427515 /nfs/dbraw/zinc/42/75/15/920427515.db2.gz YIKLSPURKOVLKU-LLVKDONJSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)N1CCC1 ZINC001372869793 920427532 /nfs/dbraw/zinc/42/75/32/920427532.db2.gz YIKLSPURKOVLKU-LLVKDONJSA-N 1 1 309.370 -1.519 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001372870390 920427676 /nfs/dbraw/zinc/42/76/76/920427676.db2.gz ZXUMMCWGKLYNAC-MNOVXSKESA-N 1 1 300.359 -1.744 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001372880470 920428011 /nfs/dbraw/zinc/42/80/11/920428011.db2.gz SAZYHHIDHMSRCZ-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001372880470 920428022 /nfs/dbraw/zinc/42/80/22/920428022.db2.gz SAZYHHIDHMSRCZ-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CNC(=O)C1CC1)c1nnnn1C ZINC001372917738 920435768 /nfs/dbraw/zinc/43/57/68/920435768.db2.gz FKUPLMWGOKUECF-SECBINFHSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001372954262 920442375 /nfs/dbraw/zinc/44/23/75/920442375.db2.gz GFLMUNSUUJWAGN-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001372976511 920443424 /nfs/dbraw/zinc/44/34/24/920443424.db2.gz UDLHHBGLRDBDQV-WPRPVWTQSA-N 1 1 308.342 -1.506 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001372976508 920444284 /nfs/dbraw/zinc/44/42/84/920444284.db2.gz UDLHHBGLRDBDQV-WCBMZHEXSA-N 1 1 308.342 -1.506 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001372978836 920444906 /nfs/dbraw/zinc/44/49/06/920444906.db2.gz ZBJRYNZFFDRMCI-WPRPVWTQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001372984652 920445700 /nfs/dbraw/zinc/44/57/00/920445700.db2.gz CSGVXFMALBXAQP-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373019832 920450404 /nfs/dbraw/zinc/45/04/04/920450404.db2.gz RPKXFDVFPGTUSG-WPRPVWTQSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373019832 920450411 /nfs/dbraw/zinc/45/04/11/920450411.db2.gz RPKXFDVFPGTUSG-WPRPVWTQSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001373033891 920453238 /nfs/dbraw/zinc/45/32/38/920453238.db2.gz RVDKWEPKGDVXQV-IVZWLZJFSA-N 1 1 309.374 -1.215 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001373055027 920453447 /nfs/dbraw/zinc/45/34/47/920453447.db2.gz OBRLLEAVUPIFBR-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001373055030 920454092 /nfs/dbraw/zinc/45/40/92/920454092.db2.gz OBRLLEAVUPIFBR-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373079987 920455571 /nfs/dbraw/zinc/45/55/71/920455571.db2.gz ABPVLIFQSDNVGY-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373079987 920455588 /nfs/dbraw/zinc/45/55/88/920455588.db2.gz ABPVLIFQSDNVGY-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001373064328 920456089 /nfs/dbraw/zinc/45/60/89/920456089.db2.gz KBCAIWDYBCZXKB-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001373098818 920459454 /nfs/dbraw/zinc/45/94/54/920459454.db2.gz GQQFNIWWGLMNLS-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001373085552 920459619 /nfs/dbraw/zinc/45/96/19/920459619.db2.gz GQLDUHYDTKKARI-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373148805 920462992 /nfs/dbraw/zinc/46/29/92/920462992.db2.gz UOFCPURKQKDOHA-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001373212799 920465376 /nfs/dbraw/zinc/46/53/76/920465376.db2.gz WUPVTJBLFBNJCB-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001373212799 920465390 /nfs/dbraw/zinc/46/53/90/920465390.db2.gz WUPVTJBLFBNJCB-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cnn(CCC(=O)NCC[C@H]2CC[N@@H+](CCO)C2)c1=O ZINC001373199945 920465839 /nfs/dbraw/zinc/46/58/39/920465839.db2.gz HEYUMCKAOSJFLJ-LBPRGKRZSA-N 1 1 311.386 -1.208 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373191032 920466279 /nfs/dbraw/zinc/46/62/79/920466279.db2.gz KVFORHKPSKTKBS-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001373212800 920466945 /nfs/dbraw/zinc/46/69/45/920466945.db2.gz WUPVTJBLFBNJCB-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001373212800 920466959 /nfs/dbraw/zinc/46/69/59/920466959.db2.gz WUPVTJBLFBNJCB-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)CC1=O ZINC001373287607 920471769 /nfs/dbraw/zinc/47/17/69/920471769.db2.gz JSQSHCZIFZSQEU-ZDUSSCGKSA-N 1 1 312.414 -1.467 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)CCS(C)(=O)=O)C1 ZINC001373274545 920472547 /nfs/dbraw/zinc/47/25/47/920472547.db2.gz UEGUFIPVHZWQJZ-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCS(C)(=O)=O)C1 ZINC001373274545 920472558 /nfs/dbraw/zinc/47/25/58/920472558.db2.gz UEGUFIPVHZWQJZ-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001373278722 920473891 /nfs/dbraw/zinc/47/38/91/920473891.db2.gz FFJJXIGZTQPFAR-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001373329562 920476932 /nfs/dbraw/zinc/47/69/32/920476932.db2.gz FFBGSDXWAGHFER-UHFFFAOYSA-N 1 1 320.415 -1.809 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373370453 920481353 /nfs/dbraw/zinc/48/13/53/920481353.db2.gz UXGADQGTCOGPPU-GMTAPVOTSA-N 1 1 301.343 -1.317 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1ncc[nH]1 ZINC001373387824 920483600 /nfs/dbraw/zinc/48/36/00/920483600.db2.gz FFKWNKZUWYJJOD-LLVKDONJSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1ncc[nH]1 ZINC001373387824 920483605 /nfs/dbraw/zinc/48/36/05/920483605.db2.gz FFKWNKZUWYJJOD-LLVKDONJSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1ncc[nH]1 ZINC001373387825 920483638 /nfs/dbraw/zinc/48/36/38/920483638.db2.gz FFKWNKZUWYJJOD-NSHDSACASA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1ncc[nH]1 ZINC001373387825 920483647 /nfs/dbraw/zinc/48/36/47/920483647.db2.gz FFKWNKZUWYJJOD-NSHDSACASA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CCn1cncn1 ZINC001373387933 920484394 /nfs/dbraw/zinc/48/43/94/920484394.db2.gz GJDDAZWUJVLMHD-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CCn1cncn1 ZINC001373387933 920484408 /nfs/dbraw/zinc/48/44/08/920484408.db2.gz GJDDAZWUJVLMHD-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373390399 920486337 /nfs/dbraw/zinc/48/63/37/920486337.db2.gz MAUWEYSWATUXAS-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373390399 920486346 /nfs/dbraw/zinc/48/63/46/920486346.db2.gz MAUWEYSWATUXAS-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C(N)=O ZINC001373401471 920487358 /nfs/dbraw/zinc/48/73/58/920487358.db2.gz RNCPQLCXXXWVEK-RYUDHWBXSA-N 1 1 314.386 -1.671 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373396132 920489096 /nfs/dbraw/zinc/48/90/96/920489096.db2.gz UXGADQGTCOGPPU-DCAQKATOSA-N 1 1 301.343 -1.317 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373422372 920490978 /nfs/dbraw/zinc/49/09/78/920490978.db2.gz GUFKOMJABLCLRQ-SCZZXKLOSA-N 1 1 313.358 -2.299 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373422372 920490989 /nfs/dbraw/zinc/49/09/89/920490989.db2.gz GUFKOMJABLCLRQ-SCZZXKLOSA-N 1 1 313.358 -2.299 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001373462337 920502813 /nfs/dbraw/zinc/50/28/13/920502813.db2.gz LRZFZTGFWJKZBU-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CCC[C@@H](C)O)C1)C(N)=O ZINC001373463304 920504097 /nfs/dbraw/zinc/50/40/97/920504097.db2.gz QDCRNSFTAWZSLL-SKDRFNHKSA-N 1 1 314.386 -1.672 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001373470242 920506090 /nfs/dbraw/zinc/50/60/90/920506090.db2.gz HDWCRBMCMCWWQW-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C[C@@H](O)COC)C2)C1 ZINC001373479942 920508743 /nfs/dbraw/zinc/50/87/43/920508743.db2.gz LPIGYBHRRMEKRU-OLZOCXBDSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C[C@@H](O)COC)C2)C1 ZINC001373479942 920508753 /nfs/dbraw/zinc/50/87/53/920508753.db2.gz LPIGYBHRRMEKRU-OLZOCXBDSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CNC(=O)NC ZINC001373491773 920509706 /nfs/dbraw/zinc/50/97/06/920509706.db2.gz SLBQQLHATQPLHM-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC001373509119 920512681 /nfs/dbraw/zinc/51/26/81/920512681.db2.gz IYHYYUQVVXXESB-SECBINFHSA-N 1 1 311.386 -1.370 20 0 DAADMO Cc1nnc(CC(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)[nH]1 ZINC001373507076 920514022 /nfs/dbraw/zinc/51/40/22/920514022.db2.gz CHIQZGUHZSZLSN-NSHDSACASA-N 1 1 306.370 -1.066 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001373507113 920514222 /nfs/dbraw/zinc/51/42/22/920514222.db2.gz AEUVOGIAUDBVCP-UHFFFAOYSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1nocc1C[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001373527752 920517082 /nfs/dbraw/zinc/51/70/82/920517082.db2.gz DSGJVMNSTSTGBD-UHFFFAOYSA-N 1 1 321.381 -1.037 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cnn(C)n2)C1 ZINC001373560289 920524791 /nfs/dbraw/zinc/52/47/91/920524791.db2.gz DDWFGBVEBRPDPY-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cnn(C)n2)C1 ZINC001373560289 920524806 /nfs/dbraw/zinc/52/48/06/920524806.db2.gz DDWFGBVEBRPDPY-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001373582475 920526301 /nfs/dbraw/zinc/52/63/01/920526301.db2.gz SJVYWHIVVUGORZ-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001373582475 920526319 /nfs/dbraw/zinc/52/63/19/920526319.db2.gz SJVYWHIVVUGORZ-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373581169 920526895 /nfs/dbraw/zinc/52/68/95/920526895.db2.gz BVYOWMNAHIEROH-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373581169 920526914 /nfs/dbraw/zinc/52/69/14/920526914.db2.gz BVYOWMNAHIEROH-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373590274 920529974 /nfs/dbraw/zinc/52/99/74/920529974.db2.gz MNGXKNWNJDZNHY-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373593402 920530533 /nfs/dbraw/zinc/53/05/33/920530533.db2.gz ZSBCFIOYLGQKRU-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373593402 920530542 /nfs/dbraw/zinc/53/05/42/920530542.db2.gz ZSBCFIOYLGQKRU-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373596525 920531860 /nfs/dbraw/zinc/53/18/60/920531860.db2.gz QTZJCDDDWMQASU-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001373607352 920532733 /nfs/dbraw/zinc/53/27/33/920532733.db2.gz RFSFZNSWSMNRQP-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373601947 920535071 /nfs/dbraw/zinc/53/50/71/920535071.db2.gz VJEHIGRORWZVNJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373601947 920535084 /nfs/dbraw/zinc/53/50/84/920535084.db2.gz VJEHIGRORWZVNJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001373619704 920538076 /nfs/dbraw/zinc/53/80/76/920538076.db2.gz IAXPUHSIZHECAW-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001373619704 920538085 /nfs/dbraw/zinc/53/80/85/920538085.db2.gz IAXPUHSIZHECAW-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001373620549 920538236 /nfs/dbraw/zinc/53/82/36/920538236.db2.gz ONGYVYZMSHOVTA-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001373620549 920538251 /nfs/dbraw/zinc/53/82/51/920538251.db2.gz ONGYVYZMSHOVTA-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001373625917 920539072 /nfs/dbraw/zinc/53/90/72/920539072.db2.gz NCPQWHPXYUPQNW-RKDXNWHRSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001373625917 920539085 /nfs/dbraw/zinc/53/90/85/920539085.db2.gz NCPQWHPXYUPQNW-RKDXNWHRSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001373627679 920539146 /nfs/dbraw/zinc/53/91/46/920539146.db2.gz LINXOQFCWLRHNY-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001373639444 920541762 /nfs/dbraw/zinc/54/17/62/920541762.db2.gz ZTPWEVNEQIFXEK-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001373639444 920541779 /nfs/dbraw/zinc/54/17/79/920541779.db2.gz ZTPWEVNEQIFXEK-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001373651898 920545269 /nfs/dbraw/zinc/54/52/69/920545269.db2.gz SLHUHCLTNFFUPO-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689336 920548544 /nfs/dbraw/zinc/54/85/44/920548544.db2.gz PSEUHJWWJSSJQK-UWVGGRQHSA-N 1 1 323.357 -1.606 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689336 920548553 /nfs/dbraw/zinc/54/85/53/920548553.db2.gz PSEUHJWWJSSJQK-UWVGGRQHSA-N 1 1 323.357 -1.606 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373677854 920549021 /nfs/dbraw/zinc/54/90/21/920549021.db2.gz LFMCJZRVTSSEQM-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373677849 920549094 /nfs/dbraw/zinc/54/90/94/920549094.db2.gz LFMCJZRVTSSEQM-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373676313 920549371 /nfs/dbraw/zinc/54/93/71/920549371.db2.gz XLFSWWASQAXAQA-SNVBAGLBSA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689334 920549428 /nfs/dbraw/zinc/54/94/28/920549428.db2.gz PSEUHJWWJSSJQK-NXEZZACHSA-N 1 1 323.357 -1.606 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689334 920549438 /nfs/dbraw/zinc/54/94/38/920549438.db2.gz PSEUHJWWJSSJQK-NXEZZACHSA-N 1 1 323.357 -1.606 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001373672526 920549867 /nfs/dbraw/zinc/54/98/67/920549867.db2.gz KUWMJWKWTSIGKI-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373667157 920549909 /nfs/dbraw/zinc/54/99/09/920549909.db2.gz QOZOFIXDJICVCH-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373667157 920549923 /nfs/dbraw/zinc/54/99/23/920549923.db2.gz QOZOFIXDJICVCH-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373676306 920550087 /nfs/dbraw/zinc/55/00/87/920550087.db2.gz XLFSWWASQAXAQA-JTQLQIEISA-N 1 1 307.354 -1.090 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001373708818 920550878 /nfs/dbraw/zinc/55/08/78/920550878.db2.gz PCTUXHSKEXYNRS-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CCNC(N)=O)C1 ZINC001373696451 920551014 /nfs/dbraw/zinc/55/10/14/920551014.db2.gz JFUCAPZLVIYKTD-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001373711667 920551791 /nfs/dbraw/zinc/55/17/91/920551791.db2.gz WDODLCMFCBWAIZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001373711667 920551803 /nfs/dbraw/zinc/55/18/03/920551803.db2.gz WDODLCMFCBWAIZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373701467 920551914 /nfs/dbraw/zinc/55/19/14/920551914.db2.gz FMBFIFKPQHJWAY-TUAOUCFPSA-N 1 1 316.402 -1.027 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001373701370 920551941 /nfs/dbraw/zinc/55/19/41/920551941.db2.gz FMBFIFKPQHJWAY-QJPTWQEYSA-N 1 1 316.402 -1.027 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373707534 920552871 /nfs/dbraw/zinc/55/28/71/920552871.db2.gz IKSOOOFJWCMYMX-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373707534 920552879 /nfs/dbraw/zinc/55/28/79/920552879.db2.gz IKSOOOFJWCMYMX-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CC[N@@H+](CCOC)C1 ZINC001373711831 920552910 /nfs/dbraw/zinc/55/29/10/920552910.db2.gz RQZIPQRDHIKDOF-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CN(C(=O)CCCC(N)=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373693031 920553352 /nfs/dbraw/zinc/55/33/52/920553352.db2.gz AVACKLQJZGKDLJ-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO CN(C(=O)CCCC(N)=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373693031 920553362 /nfs/dbraw/zinc/55/33/62/920553362.db2.gz AVACKLQJZGKDLJ-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373706299 920553582 /nfs/dbraw/zinc/55/35/82/920553582.db2.gz CJKITKRPWPQBDA-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373706299 920553592 /nfs/dbraw/zinc/55/35/92/920553592.db2.gz CJKITKRPWPQBDA-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn(C)c1N)[NH2+]Cc1nnnn1C ZINC001373750861 920559142 /nfs/dbraw/zinc/55/91/42/920559142.db2.gz WTTYZPZWUXSUPK-QMMMGPOBSA-N 1 1 307.362 -1.176 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001373757625 920559734 /nfs/dbraw/zinc/55/97/34/920559734.db2.gz CAHDJHMSQXOHTJ-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001373780056 920563503 /nfs/dbraw/zinc/56/35/03/920563503.db2.gz LAPLNTYTZOXAHB-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001373808684 920564593 /nfs/dbraw/zinc/56/45/93/920564593.db2.gz AGBGTKALJRSRIP-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001373824852 920564670 /nfs/dbraw/zinc/56/46/70/920564670.db2.gz FOBLNURMPGXYBT-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373878046 920567222 /nfs/dbraw/zinc/56/72/22/920567222.db2.gz QXSAOGCTICDRBU-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373878046 920567229 /nfs/dbraw/zinc/56/72/29/920567229.db2.gz QXSAOGCTICDRBU-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373878040 920567908 /nfs/dbraw/zinc/56/79/08/920567908.db2.gz QXSAOGCTICDRBU-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373878040 920567921 /nfs/dbraw/zinc/56/79/21/920567921.db2.gz QXSAOGCTICDRBU-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001373931348 920570788 /nfs/dbraw/zinc/57/07/88/920570788.db2.gz JCQJCUDBUHSTJK-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004872 920574641 /nfs/dbraw/zinc/57/46/41/920574641.db2.gz LKUMQABFJAXVSK-NXEZZACHSA-N 1 1 312.374 -1.317 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004872 920574659 /nfs/dbraw/zinc/57/46/59/920574659.db2.gz LKUMQABFJAXVSK-NXEZZACHSA-N 1 1 312.374 -1.317 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)C[NH2+]Cc2nnnn2C)n[nH]1 ZINC001374017169 920577379 /nfs/dbraw/zinc/57/73/79/920577379.db2.gz VFTPISRHUUDUIQ-MRVPVSSYSA-N 1 1 307.362 -1.279 20 0 DAADMO Cn1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1=O ZINC001374039985 920577687 /nfs/dbraw/zinc/57/76/87/920577687.db2.gz YEEFTXROAYEIQG-UHFFFAOYSA-N 1 1 317.353 -1.284 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)C[NH2+]Cc2nnnn2C)n[nH]1 ZINC001374017173 920577817 /nfs/dbraw/zinc/57/78/17/920577817.db2.gz VFTPISRHUUDUIQ-QMMMGPOBSA-N 1 1 307.362 -1.279 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001374083959 920581218 /nfs/dbraw/zinc/58/12/18/920581218.db2.gz KSKLHKMMLTZZHI-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374129764 920584420 /nfs/dbraw/zinc/58/44/20/920584420.db2.gz OZULGGMNXNPTEN-CHWSQXEVSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374129764 920584437 /nfs/dbraw/zinc/58/44/37/920584437.db2.gz OZULGGMNXNPTEN-CHWSQXEVSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374131148 920587152 /nfs/dbraw/zinc/58/71/52/920587152.db2.gz NQOOZJIMEQADCQ-LBPRGKRZSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374131148 920587159 /nfs/dbraw/zinc/58/71/59/920587159.db2.gz NQOOZJIMEQADCQ-LBPRGKRZSA-N 1 1 315.370 -1.955 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140771 920589784 /nfs/dbraw/zinc/58/97/84/920589784.db2.gz IYHVPHYUYONNLL-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO O=C(Cn1cnnn1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001374222782 920591550 /nfs/dbraw/zinc/59/15/50/920591550.db2.gz KPCKJEGKSNTAPF-LLVKDONJSA-N 1 1 317.357 -1.404 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001374205095 920592878 /nfs/dbraw/zinc/59/28/78/920592878.db2.gz VSFWKXBFTRRSEJ-IUCAKERBSA-N 1 1 318.403 -1.248 20 0 DAADMO CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001374185654 920593275 /nfs/dbraw/zinc/59/32/75/920593275.db2.gz LQSLTABQPUZNAX-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CNC(=O)C1CC1 ZINC001374200448 920593531 /nfs/dbraw/zinc/59/35/31/920593531.db2.gz FNXGQTGKZABIAU-VIFPVBQESA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001374239527 920594370 /nfs/dbraw/zinc/59/43/70/920594370.db2.gz BBHDCVAPYCZIIQ-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ncnn1C ZINC001374331054 920601222 /nfs/dbraw/zinc/60/12/22/920601222.db2.gz ZGOIFKGDHRXYRY-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cnn(C)c1 ZINC001374462153 920604124 /nfs/dbraw/zinc/60/41/24/920604124.db2.gz GAQOHOKXPHRNNS-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnn(C)c1 ZINC001374462153 920604133 /nfs/dbraw/zinc/60/41/33/920604133.db2.gz GAQOHOKXPHRNNS-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]Cc1nnnn1C ZINC001374429157 920605999 /nfs/dbraw/zinc/60/59/99/920605999.db2.gz HXSHQUCJQFUUSP-ZJUUUORDSA-N 1 1 311.390 -1.048 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001374504676 920607142 /nfs/dbraw/zinc/60/71/42/920607142.db2.gz ZGYZOIOOCGZOIN-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001374504676 920607157 /nfs/dbraw/zinc/60/71/57/920607157.db2.gz ZGYZOIOOCGZOIN-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC ZINC001374487949 920609494 /nfs/dbraw/zinc/60/94/94/920609494.db2.gz UHULUIVPPDKQPK-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001374487949 920609503 /nfs/dbraw/zinc/60/95/03/920609503.db2.gz UHULUIVPPDKQPK-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374521101 920612255 /nfs/dbraw/zinc/61/22/55/920612255.db2.gz TUKXKBMQBFFSNP-WDEREUQCSA-N 1 1 302.375 -1.593 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374529620 920612651 /nfs/dbraw/zinc/61/26/51/920612651.db2.gz RWAFHYWBZFRFKN-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374529620 920612665 /nfs/dbraw/zinc/61/26/65/920612665.db2.gz RWAFHYWBZFRFKN-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001374524485 920612914 /nfs/dbraw/zinc/61/29/14/920612914.db2.gz PENJVSIKPRWDRM-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001374525440 920613234 /nfs/dbraw/zinc/61/32/34/920613234.db2.gz UZKMDCIHJGTHQE-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001374524500 920613446 /nfs/dbraw/zinc/61/34/46/920613446.db2.gz PENJVSIKPRWDRM-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001374565785 920614857 /nfs/dbraw/zinc/61/48/57/920614857.db2.gz NWOFEJMQFUSLPY-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)CC[C@H]21 ZINC001374561669 920615304 /nfs/dbraw/zinc/61/53/04/920615304.db2.gz LUGMCZZAFSWHEZ-PSASIEDQSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556235 920615765 /nfs/dbraw/zinc/61/57/65/920615765.db2.gz REYBGYSJPOPWGV-MNOVXSKESA-N 1 1 313.402 -1.088 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001374584103 920621509 /nfs/dbraw/zinc/62/15/09/920621509.db2.gz TZRCHQGOIZKCOH-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1 ZINC001374581134 920622705 /nfs/dbraw/zinc/62/27/05/920622705.db2.gz ARPLUSGEQHOLBL-SNVBAGLBSA-N 1 1 300.315 -1.094 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001374584107 920623215 /nfs/dbraw/zinc/62/32/15/920623215.db2.gz TZRCHQGOIZKCOH-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001374586014 920624648 /nfs/dbraw/zinc/62/46/48/920624648.db2.gz LAIVPZDARVSCFO-KCJUWKMLSA-N 1 1 324.385 -1.233 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2csnn2)C1 ZINC001374587446 920625536 /nfs/dbraw/zinc/62/55/36/920625536.db2.gz LTKPITLSUFZHMF-MNOVXSKESA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2csnn2)C1 ZINC001374587446 920625541 /nfs/dbraw/zinc/62/55/41/920625541.db2.gz LTKPITLSUFZHMF-MNOVXSKESA-N 1 1 315.399 -1.565 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccnn1C)c1nncn1C ZINC001374590081 920627893 /nfs/dbraw/zinc/62/78/93/920627893.db2.gz KJTNPLAYDZXRKE-VHSXEESVSA-N 1 1 307.358 -1.010 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001374588718 920628501 /nfs/dbraw/zinc/62/85/01/920628501.db2.gz FYAVKMCNZRZOOI-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374588897 920629664 /nfs/dbraw/zinc/62/96/64/920629664.db2.gz GONVNVGQNQTYEA-SNVBAGLBSA-N 1 1 320.357 -1.378 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n2cncn2)nn1 ZINC001374594857 920631850 /nfs/dbraw/zinc/63/18/50/920631850.db2.gz LTMHSEWHJFRIBV-PWSUYJOCSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)ncn1 ZINC001374593235 920632969 /nfs/dbraw/zinc/63/29/69/920632969.db2.gz MFZKMKMYIREMNE-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001374591772 920633330 /nfs/dbraw/zinc/63/33/30/920633330.db2.gz SOFAAIZDLHGBTP-GHMZBOCLSA-N 1 1 310.358 -1.857 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nn1 ZINC001374595765 920634556 /nfs/dbraw/zinc/63/45/56/920634556.db2.gz XKYYBISJUYSNKV-GXSJLCMTSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)nn1 ZINC001374595767 920634733 /nfs/dbraw/zinc/63/47/33/920634733.db2.gz XKYYBISJUYSNKV-MWLCHTKSSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001374595774 920634745 /nfs/dbraw/zinc/63/47/45/920634745.db2.gz XLCXOJNZNPNLHQ-ZJUUUORDSA-N 1 1 311.342 -1.529 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374597212 920634765 /nfs/dbraw/zinc/63/47/65/920634765.db2.gz FADFKOGUWGVQQE-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO O=C(CCn1ccnn1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001374598434 920635352 /nfs/dbraw/zinc/63/53/52/920635352.db2.gz KGCUZPAOIVSQKL-SECBINFHSA-N 1 1 311.371 -1.213 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001374599517 920635540 /nfs/dbraw/zinc/63/55/40/920635540.db2.gz JLIQXBQLCJOPJP-SNVBAGLBSA-N 1 1 322.373 -1.466 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ncnn1)c1ncccn1 ZINC001374602953 920637427 /nfs/dbraw/zinc/63/74/27/920637427.db2.gz HBHPRJAOHQYKCG-VHSXEESVSA-N 1 1 306.330 -1.709 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374607372 920640514 /nfs/dbraw/zinc/64/05/14/920640514.db2.gz GVYVUMCPJAJCIV-SECBINFHSA-N 1 1 317.371 -2.574 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374607285 920641038 /nfs/dbraw/zinc/64/10/38/920641038.db2.gz VKTCHMSHQDDPRD-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C1CC1 ZINC001374612207 920643792 /nfs/dbraw/zinc/64/37/92/920643792.db2.gz OPHMUQVMCIGCNH-NSHDSACASA-N 1 1 311.342 -1.495 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001374611350 920643821 /nfs/dbraw/zinc/64/38/21/920643821.db2.gz JVEQKLYMVZGUJC-VXGBXAGGSA-N 1 1 321.381 -1.088 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001374609679 920645515 /nfs/dbraw/zinc/64/55/15/920645515.db2.gz VBGBBCWDQMPAQX-JTQLQIEISA-N 1 1 318.399 -2.043 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001374613784 920647527 /nfs/dbraw/zinc/64/75/27/920647527.db2.gz FDYBYAMQLVVEEP-RYUDHWBXSA-N 1 1 321.381 -1.040 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001374613937 920649066 /nfs/dbraw/zinc/64/90/66/920649066.db2.gz DSRXADZMAHAMIY-IJLUTSLNSA-N 1 1 319.369 -1.091 20 0 DAADMO Cc1cc(OCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001374616561 920650400 /nfs/dbraw/zinc/65/04/00/920650400.db2.gz QYUVMCUCTRAWSK-NSHDSACASA-N 1 1 324.341 -1.243 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001374621067 920654016 /nfs/dbraw/zinc/65/40/16/920654016.db2.gz AHKZRKHLUITSDY-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)co1 ZINC001374621171 920654481 /nfs/dbraw/zinc/65/44/81/920654481.db2.gz WSKWGUKQVBGJJE-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)c2)[nH]1 ZINC001374625315 920656959 /nfs/dbraw/zinc/65/69/59/920656959.db2.gz QQSXDCUHFFJTHV-LLVKDONJSA-N 1 1 320.353 -1.308 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001374623661 920657625 /nfs/dbraw/zinc/65/76/25/920657625.db2.gz XZERBLKQYBAIGM-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001374623661 920657633 /nfs/dbraw/zinc/65/76/33/920657633.db2.gz XZERBLKQYBAIGM-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO COCc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001374627480 920658175 /nfs/dbraw/zinc/65/81/75/920658175.db2.gz JHQDGDLXIMCVQU-VIFPVBQESA-N 1 1 324.341 -1.170 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cccnc1 ZINC001374626253 920658233 /nfs/dbraw/zinc/65/82/33/920658233.db2.gz FEHVCJUQLZWKFM-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](O)C[NH2+]Cc2coc(C3CC3)n2)n1 ZINC001374630975 920659475 /nfs/dbraw/zinc/65/94/75/920659475.db2.gz ACEHPTPGQBPLQN-SNVBAGLBSA-N 1 1 321.341 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001374629841 920659654 /nfs/dbraw/zinc/65/96/54/920659654.db2.gz UBNYAXFNBBJQOL-SNVBAGLBSA-N 1 1 309.370 -1.392 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001374635048 920662109 /nfs/dbraw/zinc/66/21/09/920662109.db2.gz GTKMAFBAKXHEJV-GWCFXTLKSA-N 1 1 315.349 -1.007 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001374635057 920662926 /nfs/dbraw/zinc/66/29/26/920662926.db2.gz GTKMAFBAKXHEJV-MFKMUULPSA-N 1 1 315.349 -1.007 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001374633190 920663161 /nfs/dbraw/zinc/66/31/61/920663161.db2.gz MWKCNSLJQULWIE-WDEREUQCSA-N 1 1 322.369 -1.625 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001374635023 920663988 /nfs/dbraw/zinc/66/39/88/920663988.db2.gz UTRBSYDQSJQMFE-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@@H]1CNC(=O)N1 ZINC001374644374 920668132 /nfs/dbraw/zinc/66/81/32/920668132.db2.gz WPQMARXYNMTDNG-RQJHMYQMSA-N 1 1 300.344 -2.214 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 ZINC001374641315 920669507 /nfs/dbraw/zinc/66/95/07/920669507.db2.gz ZSHGSJCAGBWNFS-ZYHUDNBSSA-N 1 1 301.322 -1.490 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1)c1nnnn1C ZINC001374653065 920672001 /nfs/dbraw/zinc/67/20/01/920672001.db2.gz PGRPWQSUQVSFKT-PSASIEDQSA-N 1 1 308.346 -1.696 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1)c1nnnn1C ZINC001374653074 920674964 /nfs/dbraw/zinc/67/49/64/920674964.db2.gz PGRPWQSUQVSFKT-WCBMZHEXSA-N 1 1 308.346 -1.696 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNCc1ccon1 ZINC001374655489 920676132 /nfs/dbraw/zinc/67/61/32/920676132.db2.gz JWJYEQUPLUIHQA-ZDUSSCGKSA-N 1 1 312.370 -1.036 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1 ZINC001374653926 920676143 /nfs/dbraw/zinc/67/61/43/920676143.db2.gz QUPSBCBHIWLGCX-LLVKDONJSA-N 1 1 320.357 -1.246 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cccnn2)nn1 ZINC001374659318 920676889 /nfs/dbraw/zinc/67/68/89/920676889.db2.gz NZEORHPIYRWOFC-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001374661856 920676918 /nfs/dbraw/zinc/67/69/18/920676918.db2.gz LHVABFXLPVJQEE-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nn1 ZINC001374658197 920677136 /nfs/dbraw/zinc/67/71/36/920677136.db2.gz RGKZETHFOLJXQS-KOLCDFICSA-N 1 1 310.358 -1.950 20 0 DAADMO Cc1cnoc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374659625 920677823 /nfs/dbraw/zinc/67/78/23/920677823.db2.gz FVKUYIBWDNSYJC-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)NCC(F)(F)F ZINC001374659439 920678617 /nfs/dbraw/zinc/67/86/17/920678617.db2.gz PAGHJKWFCJCKOM-LURJTMIESA-N 1 1 324.263 -1.837 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)NCC(F)(F)F ZINC001374659439 920678627 /nfs/dbraw/zinc/67/86/27/920678627.db2.gz PAGHJKWFCJCKOM-LURJTMIESA-N 1 1 324.263 -1.837 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001374658923 920679147 /nfs/dbraw/zinc/67/91/47/920679147.db2.gz UBTHIYQXELRHMJ-VWYCJHECSA-N 1 1 324.385 -1.717 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cncn2C)nn1 ZINC001374667166 920681843 /nfs/dbraw/zinc/68/18/43/920681843.db2.gz BOLJSLDXAWXLDD-GFCCVEGCSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001374662213 920682471 /nfs/dbraw/zinc/68/24/71/920682471.db2.gz VFAGZXAOVBFXRL-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001374672545 920684573 /nfs/dbraw/zinc/68/45/73/920684573.db2.gz ONDNEMVMKZPKKY-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001374668057 920685652 /nfs/dbraw/zinc/68/56/52/920685652.db2.gz YXDQDZPLCSHGLG-KOLCDFICSA-N 1 1 322.369 -1.129 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cncn1C ZINC001374674806 920686708 /nfs/dbraw/zinc/68/67/08/920686708.db2.gz YURDRRZCPBQGTN-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)n1 ZINC001374683981 920690980 /nfs/dbraw/zinc/69/09/80/920690980.db2.gz KNJASRAMLIBAIT-SNVBAGLBSA-N 1 1 320.357 -1.378 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001374679632 920691469 /nfs/dbraw/zinc/69/14/69/920691469.db2.gz RCFIAQAYLNTFAW-MNOVXSKESA-N 1 1 324.385 -1.607 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001374686985 920693696 /nfs/dbraw/zinc/69/36/96/920693696.db2.gz XMXWJIPJXZMPST-LLVKDONJSA-N 1 1 318.399 -1.579 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1 ZINC001374684622 920694072 /nfs/dbraw/zinc/69/40/72/920694072.db2.gz MYTLUHQSMOHRIV-ZDUSSCGKSA-N 1 1 310.402 -1.040 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001374686125 920694553 /nfs/dbraw/zinc/69/45/53/920694553.db2.gz SQRUWBJUNJCCKQ-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1 ZINC001374684615 920694688 /nfs/dbraw/zinc/69/46/88/920694688.db2.gz MVNRYEZHCXXLGJ-JTQLQIEISA-N 1 1 320.371 -1.901 20 0 DAADMO C[N@@H+](CC(=O)N1CC(CNC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001374787688 920711080 /nfs/dbraw/zinc/71/10/80/920711080.db2.gz CGUHGLSUCDEHPW-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001374800902 920712124 /nfs/dbraw/zinc/71/21/24/920712124.db2.gz HLFPFDIRBIZCFE-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374807764 920715913 /nfs/dbraw/zinc/71/59/13/920715913.db2.gz KEEUHOKBKYVPOR-ZJUUUORDSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001374841391 920716765 /nfs/dbraw/zinc/71/67/65/920716765.db2.gz SHOUIWDURBKHAK-MRVPVSSYSA-N 1 1 319.391 -2.304 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001374843796 920717337 /nfs/dbraw/zinc/71/73/37/920717337.db2.gz PNUVPQHKPOWPSA-UHFFFAOYSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001374838088 920718264 /nfs/dbraw/zinc/71/82/64/920718264.db2.gz SFMDNQFXBLRKNK-MWLCHTKSSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001374847862 920721534 /nfs/dbraw/zinc/72/15/34/920721534.db2.gz APNLFTBSSNEYDP-MRVPVSSYSA-N 1 1 308.346 -1.845 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001374848901 920721988 /nfs/dbraw/zinc/72/19/88/920721988.db2.gz ZNRXPQXBOAFMHV-SFYZADRCSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cnn(C)c1N ZINC001374882573 920724171 /nfs/dbraw/zinc/72/41/71/920724171.db2.gz DOOGFABOSAXLDN-YUMQZZPRSA-N 1 1 307.362 -1.005 20 0 DAADMO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374906801 920725680 /nfs/dbraw/zinc/72/56/80/920725680.db2.gz UDAYSRGHCXETRC-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CCn2cnnn2)C1 ZINC001374895321 920727607 /nfs/dbraw/zinc/72/76/07/920727607.db2.gz VVJZSLPENAAZBS-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001374922110 920728425 /nfs/dbraw/zinc/72/84/25/920728425.db2.gz LTMVNNRGSYKFQH-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001374940745 920733261 /nfs/dbraw/zinc/73/32/61/920733261.db2.gz QQHNDFRJMXCTSX-QMMMGPOBSA-N 1 1 322.325 -1.625 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)Cn1cnnn1 ZINC001375005615 920734933 /nfs/dbraw/zinc/73/49/33/920734933.db2.gz ZPZAWNFZHHWOCT-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001375021308 920738156 /nfs/dbraw/zinc/73/81/56/920738156.db2.gz QJXAACNWKZHQFG-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001375021308 920738168 /nfs/dbraw/zinc/73/81/68/920738168.db2.gz QJXAACNWKZHQFG-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038164 920738306 /nfs/dbraw/zinc/73/83/06/920738306.db2.gz UKKNJDCLZSCICY-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038164 920738312 /nfs/dbraw/zinc/73/83/12/920738312.db2.gz UKKNJDCLZSCICY-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001375036711 920739995 /nfs/dbraw/zinc/73/99/95/920739995.db2.gz JSKJRGPPBKCMEN-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001375036711 920740003 /nfs/dbraw/zinc/74/00/03/920740003.db2.gz JSKJRGPPBKCMEN-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032009 920740544 /nfs/dbraw/zinc/74/05/44/920740544.db2.gz PODWQQRJWHSGDF-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032009 920740560 /nfs/dbraw/zinc/74/05/60/920740560.db2.gz PODWQQRJWHSGDF-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040615 920741272 /nfs/dbraw/zinc/74/12/72/920741272.db2.gz VMCDNZSRGIQGDI-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040615 920741285 /nfs/dbraw/zinc/74/12/85/920741285.db2.gz VMCDNZSRGIQGDI-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001375067480 920741542 /nfs/dbraw/zinc/74/15/42/920741542.db2.gz CMZPCMUJRQNTHA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001375067480 920741553 /nfs/dbraw/zinc/74/15/53/920741553.db2.gz CMZPCMUJRQNTHA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001375040618 920741707 /nfs/dbraw/zinc/74/17/07/920741707.db2.gz VMCDNZSRGIQGDI-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001375040618 920741717 /nfs/dbraw/zinc/74/17/17/920741717.db2.gz VMCDNZSRGIQGDI-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001375043721 920742145 /nfs/dbraw/zinc/74/21/45/920742145.db2.gz GXSLOFNIUJVLMQ-ZJUUUORDSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001375043721 920742156 /nfs/dbraw/zinc/74/21/56/920742156.db2.gz GXSLOFNIUJVLMQ-ZJUUUORDSA-N 1 1 301.391 -1.171 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001375045034 920742464 /nfs/dbraw/zinc/74/24/64/920742464.db2.gz KYKFDPNLEGEWSS-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001375045034 920742474 /nfs/dbraw/zinc/74/24/74/920742474.db2.gz KYKFDPNLEGEWSS-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001375058045 920742809 /nfs/dbraw/zinc/74/28/09/920742809.db2.gz GXWOTEIMINCPPD-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001375058045 920742818 /nfs/dbraw/zinc/74/28/18/920742818.db2.gz GXWOTEIMINCPPD-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001375067475 920743141 /nfs/dbraw/zinc/74/31/41/920743141.db2.gz CMZPCMUJRQNTHA-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001375067475 920743153 /nfs/dbraw/zinc/74/31/53/920743153.db2.gz CMZPCMUJRQNTHA-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001375058463 920743221 /nfs/dbraw/zinc/74/32/21/920743221.db2.gz VUYDWNMAVAVWTF-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001375043711 920744194 /nfs/dbraw/zinc/74/41/94/920744194.db2.gz GXSLOFNIUJVLMQ-UWVGGRQHSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001375043711 920744207 /nfs/dbraw/zinc/74/42/07/920744207.db2.gz GXSLOFNIUJVLMQ-UWVGGRQHSA-N 1 1 301.391 -1.171 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001375058466 920744321 /nfs/dbraw/zinc/74/43/21/920744321.db2.gz VUYDWNMAVAVWTF-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001375086293 920744959 /nfs/dbraw/zinc/74/49/59/920744959.db2.gz NOQRJRPJPADBPP-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001375090189 920745316 /nfs/dbraw/zinc/74/53/16/920745316.db2.gz UZFWUMRYWQADEM-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375099449 920745701 /nfs/dbraw/zinc/74/57/01/920745701.db2.gz LPYSWJRSPYGCRS-KOLCDFICSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001375091307 920745996 /nfs/dbraw/zinc/74/59/96/920745996.db2.gz XJGLYDTUJDDCEX-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001375091307 920746010 /nfs/dbraw/zinc/74/60/10/920746010.db2.gz XJGLYDTUJDDCEX-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001375115546 920746031 /nfs/dbraw/zinc/74/60/31/920746031.db2.gz BBOHROTWUJDSCH-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001375115546 920746042 /nfs/dbraw/zinc/74/60/42/920746042.db2.gz BBOHROTWUJDSCH-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC001375112321 920746326 /nfs/dbraw/zinc/74/63/26/920746326.db2.gz NHFRBUHPLHFSGS-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375099442 920747281 /nfs/dbraw/zinc/74/72/81/920747281.db2.gz LPYSWJRSPYGCRS-GXSJLCMTSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H](CN(C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375151892 920749015 /nfs/dbraw/zinc/74/90/15/920749015.db2.gz ATMGTQSRBUPYHX-NEPJUHHUSA-N 1 1 320.459 -1.076 20 0 DAADMO C[C@H](CN(C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375151895 920749104 /nfs/dbraw/zinc/74/91/04/920749104.db2.gz ATMGTQSRBUPYHX-VXGBXAGGSA-N 1 1 320.459 -1.076 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158433 920749984 /nfs/dbraw/zinc/74/99/84/920749984.db2.gz KOZBZZLTQVDGGG-UWVGGRQHSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158433 920749995 /nfs/dbraw/zinc/74/99/95/920749995.db2.gz KOZBZZLTQVDGGG-UWVGGRQHSA-N 1 1 311.386 -1.092 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001375154006 920750491 /nfs/dbraw/zinc/75/04/91/920750491.db2.gz POCPVPCOMAQBKT-BDAKNGLRSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001375154006 920750505 /nfs/dbraw/zinc/75/05/05/920750505.db2.gz POCPVPCOMAQBKT-BDAKNGLRSA-N 1 1 312.374 -1.799 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132076 920751312 /nfs/dbraw/zinc/75/13/12/920751312.db2.gz JMBLLITULFHFMY-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132076 920751320 /nfs/dbraw/zinc/75/13/20/920751320.db2.gz JMBLLITULFHFMY-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001375168794 920752396 /nfs/dbraw/zinc/75/23/96/920752396.db2.gz YEQUEVYWZFFYSV-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001375168794 920752404 /nfs/dbraw/zinc/75/24/04/920752404.db2.gz YEQUEVYWZFFYSV-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001375225083 920755841 /nfs/dbraw/zinc/75/58/41/920755841.db2.gz YUXSBMTTYRTCRW-VXGBXAGGSA-N 1 1 323.401 -1.475 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)CN1CCCC1)C1CC1 ZINC001375269274 920759399 /nfs/dbraw/zinc/75/93/99/920759399.db2.gz GJOPEEKALQXHRS-NSHDSACASA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001375291987 920760484 /nfs/dbraw/zinc/76/04/84/920760484.db2.gz HEBJGQBIIOGQFI-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001375291987 920760491 /nfs/dbraw/zinc/76/04/91/920760491.db2.gz HEBJGQBIIOGQFI-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)COC ZINC001375308400 920762344 /nfs/dbraw/zinc/76/23/44/920762344.db2.gz UNDJCUFZVYHBNA-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378100 920769025 /nfs/dbraw/zinc/76/90/25/920769025.db2.gz SKXWNHORSVILJT-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378100 920769037 /nfs/dbraw/zinc/76/90/37/920769037.db2.gz SKXWNHORSVILJT-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCCO)C1(n2cnnn2)CCOCC1 ZINC001375351924 920769251 /nfs/dbraw/zinc/76/92/51/920769251.db2.gz OEODUQIUUNBAFV-GFCCVEGCSA-N 1 1 324.385 -1.248 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1CCC[C@H](C)O ZINC001375374924 920769297 /nfs/dbraw/zinc/76/92/97/920769297.db2.gz FSNODYBSQSXPBV-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001375374749 920769473 /nfs/dbraw/zinc/76/94/73/920769473.db2.gz DSHOFJZTPLODLY-MNOVXSKESA-N 1 1 305.400 -1.237 20 0 DAADMO Cn1nnc(CN2CC[C@H]2CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001375354064 920769713 /nfs/dbraw/zinc/76/97/13/920769713.db2.gz UDZVPNPMJOQDAC-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1nnc(CN2CC[C@@H]2CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001375354063 920770294 /nfs/dbraw/zinc/77/02/94/920770294.db2.gz UDZVPNPMJOQDAC-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1nnnc1CN1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001375349468 920770731 /nfs/dbraw/zinc/77/07/31/920770731.db2.gz HXBYJLQFIQIGCY-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001375396062 920771903 /nfs/dbraw/zinc/77/19/03/920771903.db2.gz ARPRDDCXLZQFFX-BDAKNGLRSA-N 1 1 323.353 -1.344 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405790 920772948 /nfs/dbraw/zinc/77/29/48/920772948.db2.gz OEHXCISWQIPCBG-WDEREUQCSA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405790 920772965 /nfs/dbraw/zinc/77/29/65/920772965.db2.gz OEHXCISWQIPCBG-WDEREUQCSA-N 1 1 323.401 -1.160 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378118 920774926 /nfs/dbraw/zinc/77/49/26/920774926.db2.gz SKXWNHORSVILJT-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378118 920774944 /nfs/dbraw/zinc/77/49/44/920774944.db2.gz SKXWNHORSVILJT-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378475 920775081 /nfs/dbraw/zinc/77/50/81/920775081.db2.gz GJKXCYCOWWZMCA-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378475 920775095 /nfs/dbraw/zinc/77/50/95/920775095.db2.gz GJKXCYCOWWZMCA-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCS(N)(=O)=O ZINC001375459981 920775960 /nfs/dbraw/zinc/77/59/60/920775960.db2.gz SGVMCFGSNHHMGG-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)C(C)(C)NS(C)(=O)=O ZINC001375462702 920776905 /nfs/dbraw/zinc/77/69/05/920776905.db2.gz QCKPSOAVPZRSEX-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1ccnc1C[NH2+]C1(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001375451997 920777532 /nfs/dbraw/zinc/77/75/32/920777532.db2.gz LMYSQUBPGIKQIS-UHFFFAOYSA-N 1 1 320.397 -1.410 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001375480035 920779682 /nfs/dbraw/zinc/77/96/82/920779682.db2.gz HPOSKGHEHPIEAJ-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001375480036 920780039 /nfs/dbraw/zinc/78/00/39/920780039.db2.gz HPOSKGHEHPIEAJ-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001375524026 920784146 /nfs/dbraw/zinc/78/41/46/920784146.db2.gz BCCHMIRKRMUOMH-HAQNSBGRSA-N 1 1 323.401 -1.473 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(=O)NC)CC[N@H+]1C[C@H](O)COC ZINC001375607025 920788388 /nfs/dbraw/zinc/78/83/88/920788388.db2.gz SWLNREWUSJOCHE-SDDRHHMPSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001375610421 920788797 /nfs/dbraw/zinc/78/87/97/920788797.db2.gz NLQUPIJSAHTEPL-USZNOCQGSA-N 1 1 323.397 -1.431 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnn[n-]2)C1 ZINC001375627224 920789839 /nfs/dbraw/zinc/78/98/39/920789839.db2.gz ZNKAEWOZMDNCKL-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001375627224 920789851 /nfs/dbraw/zinc/78/98/51/920789851.db2.gz ZNKAEWOZMDNCKL-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001375627224 920789864 /nfs/dbraw/zinc/78/98/64/920789864.db2.gz ZNKAEWOZMDNCKL-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(=O)NC)CC[N@H+]1C[C@@H](O)COC ZINC001375607019 920790514 /nfs/dbraw/zinc/79/05/14/920790514.db2.gz SWLNREWUSJOCHE-GRYCIOLGSA-N 1 1 316.402 -1.108 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001375653357 920792426 /nfs/dbraw/zinc/79/24/26/920792426.db2.gz PIJOXVBUPIOEAO-MXWKQRLJSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)CC[N@H+]1CCO ZINC001375665190 920792658 /nfs/dbraw/zinc/79/26/58/920792658.db2.gz VTDCZWTZIACAII-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375629810 920793288 /nfs/dbraw/zinc/79/32/88/920793288.db2.gz KBDKUQJATNABQN-JTQLQIEISA-N 1 1 316.358 -1.887 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375629810 920793308 /nfs/dbraw/zinc/79/33/08/920793308.db2.gz KBDKUQJATNABQN-JTQLQIEISA-N 1 1 316.358 -1.887 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001375661037 920794096 /nfs/dbraw/zinc/79/40/96/920794096.db2.gz VIQGMQINOOZWHM-BXUZGUMPSA-N 1 1 323.397 -1.089 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375666577 920795106 /nfs/dbraw/zinc/79/51/06/920795106.db2.gz TVKZNNXEOQZGJB-RYUDHWBXSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375666577 920795119 /nfs/dbraw/zinc/79/51/19/920795119.db2.gz TVKZNNXEOQZGJB-RYUDHWBXSA-N 1 1 324.385 -1.523 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001375694984 920795346 /nfs/dbraw/zinc/79/53/46/920795346.db2.gz NMUDLCITBFMHKH-SNVBAGLBSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001375672835 920796199 /nfs/dbraw/zinc/79/61/99/920796199.db2.gz SRRDSYRPEQNADH-CMPLNLGQSA-N 1 1 324.385 -1.557 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001375693272 920796365 /nfs/dbraw/zinc/79/63/65/920796365.db2.gz ZFVGRLLWBWYWDN-LLVKDONJSA-N 1 1 313.358 -2.268 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375685354 920796421 /nfs/dbraw/zinc/79/64/21/920796421.db2.gz ZKVTWLJXWNMULT-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375666573 920796787 /nfs/dbraw/zinc/79/67/87/920796787.db2.gz TVKZNNXEOQZGJB-NEPJUHHUSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375666573 920796797 /nfs/dbraw/zinc/79/67/97/920796797.db2.gz TVKZNNXEOQZGJB-NEPJUHHUSA-N 1 1 324.385 -1.523 20 0 DAADMO COCC(=O)N1CCC([N@H+](CCO)CCS(C)(=O)=O)CC1 ZINC001375686083 920797592 /nfs/dbraw/zinc/79/75/92/920797592.db2.gz DPJLZVWPDRFVEK-UHFFFAOYSA-N 1 1 322.427 -1.037 20 0 DAADMO COCC(=O)N1CCC([N@@H+](CCO)CCS(C)(=O)=O)CC1 ZINC001375686083 920797600 /nfs/dbraw/zinc/79/76/00/920797600.db2.gz DPJLZVWPDRFVEK-UHFFFAOYSA-N 1 1 322.427 -1.037 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001375721763 920801363 /nfs/dbraw/zinc/80/13/63/920801363.db2.gz HOGDQYORMJVALY-SNVBAGLBSA-N 1 1 305.400 -1.285 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCc2cn(C)nn2)C1 ZINC001375738764 920801733 /nfs/dbraw/zinc/80/17/33/920801733.db2.gz YTRKDCHOBKNNNL-CYBMUJFWSA-N 1 1 311.386 -1.102 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375826472 920807530 /nfs/dbraw/zinc/80/75/30/920807530.db2.gz FMWXKZBNBJMNJY-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001375835925 920807625 /nfs/dbraw/zinc/80/76/25/920807625.db2.gz IMMJOCSCFZSURC-BXUZGUMPSA-N 1 1 311.386 -1.067 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001375822323 920807954 /nfs/dbraw/zinc/80/79/54/920807954.db2.gz GRJSBDMBONDWOZ-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001375834941 920808195 /nfs/dbraw/zinc/80/81/95/920808195.db2.gz ZIGSBFVVDATMJS-HZMBPMFUSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001375834941 920808207 /nfs/dbraw/zinc/80/82/07/920808207.db2.gz ZIGSBFVVDATMJS-HZMBPMFUSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001375826233 920808771 /nfs/dbraw/zinc/80/87/71/920808771.db2.gz DGBZKRLLXUKTGI-YGRLFVJLSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001375826233 920808788 /nfs/dbraw/zinc/80/87/88/920808788.db2.gz DGBZKRLLXUKTGI-YGRLFVJLSA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001375832969 920808996 /nfs/dbraw/zinc/80/89/96/920808996.db2.gz WCXOOFMTTWMQPW-GFCCVEGCSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001375832969 920809009 /nfs/dbraw/zinc/80/90/09/920809009.db2.gz WCXOOFMTTWMQPW-GFCCVEGCSA-N 1 1 318.399 -1.912 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@]2(C)CC[N@@H+](CCO)C2)c1=O ZINC001375826999 920809761 /nfs/dbraw/zinc/80/97/61/920809761.db2.gz GBQZOLMSRZZQEC-CQSZACIVSA-N 1 1 310.354 -1.880 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827964 920809876 /nfs/dbraw/zinc/80/98/76/920809876.db2.gz GTLQJJDXLWRKQB-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827964 920809884 /nfs/dbraw/zinc/80/98/84/920809884.db2.gz GTLQJJDXLWRKQB-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO CCOCC(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001375808883 920810803 /nfs/dbraw/zinc/81/08/03/920810803.db2.gz SZDNDPGAARHPMF-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950312 920811956 /nfs/dbraw/zinc/81/19/56/920811956.db2.gz LAZFTOZALZRXRB-ZANVPECISA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950312 920811968 /nfs/dbraw/zinc/81/19/68/920811968.db2.gz LAZFTOZALZRXRB-ZANVPECISA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001375849489 920812799 /nfs/dbraw/zinc/81/27/99/920812799.db2.gz HVNVLLURIXPVSL-JQWIXIFHSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001375853010 920814158 /nfs/dbraw/zinc/81/41/58/920814158.db2.gz ZNZDHWQMTRYPQJ-ZDUSSCGKSA-N 1 1 323.357 -1.686 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001375853010 920814169 /nfs/dbraw/zinc/81/41/69/920814169.db2.gz ZNZDHWQMTRYPQJ-ZDUSSCGKSA-N 1 1 323.357 -1.686 20 0 DAADMO Cn1cncc1CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001375851506 920814380 /nfs/dbraw/zinc/81/43/80/920814380.db2.gz SZMBFICFLCSBMH-CQSZACIVSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cncc1CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001375851506 920814392 /nfs/dbraw/zinc/81/43/92/920814392.db2.gz SZMBFICFLCSBMH-CQSZACIVSA-N 1 1 322.369 -1.262 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375995404 920815106 /nfs/dbraw/zinc/81/51/06/920815106.db2.gz IANPPMQTYINLDK-IINYFYTJSA-N 1 1 313.354 -1.438 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001375996303 920815371 /nfs/dbraw/zinc/81/53/71/920815371.db2.gz IGUHABJHCWMMKW-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001375996303 920815383 /nfs/dbraw/zinc/81/53/83/920815383.db2.gz IGUHABJHCWMMKW-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001375990751 920816804 /nfs/dbraw/zinc/81/68/04/920816804.db2.gz UZFNLPJCKVQLDG-WCQYABFASA-N 1 1 320.411 -1.380 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001375990751 920816816 /nfs/dbraw/zinc/81/68/16/920816816.db2.gz UZFNLPJCKVQLDG-WCQYABFASA-N 1 1 320.411 -1.380 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375991074 920817702 /nfs/dbraw/zinc/81/77/02/920817702.db2.gz GSKAEVYOTDZSIZ-DGCLKSJQSA-N 1 1 303.359 -2.317 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001375999937 920818786 /nfs/dbraw/zinc/81/87/86/920818786.db2.gz XKAODKHBYBEHHH-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001375999937 920818794 /nfs/dbraw/zinc/81/87/94/920818794.db2.gz XKAODKHBYBEHHH-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001375998091 920819192 /nfs/dbraw/zinc/81/91/92/920819192.db2.gz NVCPJCWVZVGQDZ-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001375998091 920819201 /nfs/dbraw/zinc/81/92/01/920819201.db2.gz NVCPJCWVZVGQDZ-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001376005107 920819267 /nfs/dbraw/zinc/81/92/67/920819267.db2.gz MKUZEJKXUOAAJE-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376000028 920819786 /nfs/dbraw/zinc/81/97/86/920819786.db2.gz XXWCBHRXMHAPFS-GXFFZTMASA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376002078 920820339 /nfs/dbraw/zinc/82/03/39/920820339.db2.gz APEAAXMDAFPDFY-ZDUSSCGKSA-N 1 1 305.342 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376002078 920820349 /nfs/dbraw/zinc/82/03/49/920820349.db2.gz APEAAXMDAFPDFY-ZDUSSCGKSA-N 1 1 305.342 -1.095 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375996709 920821854 /nfs/dbraw/zinc/82/18/54/920821854.db2.gz MJJVGTRRXBMLLN-CABZTGNLSA-N 1 1 311.346 -2.639 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CCOCC2)C1 ZINC001375999165 920821976 /nfs/dbraw/zinc/82/19/76/920821976.db2.gz SQDQQEFXPGURHQ-DZGCQCFKSA-N 1 1 316.398 -1.027 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001375998096 920822153 /nfs/dbraw/zinc/82/21/53/920822153.db2.gz NZPPFNTYNVVESM-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001375998096 920822161 /nfs/dbraw/zinc/82/21/61/920822161.db2.gz NZPPFNTYNVVESM-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376004258 920822431 /nfs/dbraw/zinc/82/24/31/920822431.db2.gz KNRJBSTZUKXRJY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376004258 920822440 /nfs/dbraw/zinc/82/24/40/920822440.db2.gz KNRJBSTZUKXRJY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376019133 920823213 /nfs/dbraw/zinc/82/32/13/920823213.db2.gz XKDKHDRPIGRNSF-OCCSQVGLSA-N 1 1 317.386 -1.975 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3COCCO3)C2)cn1 ZINC001376021637 920823287 /nfs/dbraw/zinc/82/32/87/920823287.db2.gz ZWIPLOPAUWIBHL-HIFRSBDPSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ccn[nH]1 ZINC001376020220 920823330 /nfs/dbraw/zinc/82/33/30/920823330.db2.gz YRSWEEMFTKVXLP-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001376010522 920823526 /nfs/dbraw/zinc/82/35/26/920823526.db2.gz OISXEASRCVCSCG-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001376010522 920823535 /nfs/dbraw/zinc/82/35/35/920823535.db2.gz OISXEASRCVCSCG-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)CS(C)(=O)=O)CC1 ZINC001376008230 920823900 /nfs/dbraw/zinc/82/39/00/920823900.db2.gz ROCKQFHDINZNPJ-GFCCVEGCSA-N 1 1 322.427 -1.039 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376027703 920824517 /nfs/dbraw/zinc/82/45/17/920824517.db2.gz BCHQMHWOEBLMRE-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376027703 920824530 /nfs/dbraw/zinc/82/45/30/920824530.db2.gz BCHQMHWOEBLMRE-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CN(C(=O)CCn1ncn(C)c1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001376026660 920826449 /nfs/dbraw/zinc/82/64/49/920826449.db2.gz ODPMSTNMZWUFAF-UHFFFAOYSA-N 1 1 324.385 -1.620 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001376033084 920827740 /nfs/dbraw/zinc/82/77/40/920827740.db2.gz HFFDOYUOVKLDCN-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001376037279 920827836 /nfs/dbraw/zinc/82/78/36/920827836.db2.gz QLUWVHDIEKTVGQ-OCCSQVGLSA-N 1 1 310.354 -1.350 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376033653 920828117 /nfs/dbraw/zinc/82/81/17/920828117.db2.gz JJURHERDOANPEW-BXUZGUMPSA-N 1 1 317.386 -1.927 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001376037742 920829199 /nfs/dbraw/zinc/82/91/99/920829199.db2.gz PREYEFALXCXVFW-ZDUSSCGKSA-N 1 1 320.357 -1.877 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)n1 ZINC001376035486 920829253 /nfs/dbraw/zinc/82/92/53/920829253.db2.gz LFRHSPXXHDFODK-CQSZACIVSA-N 1 1 322.369 -1.660 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376033655 920830291 /nfs/dbraw/zinc/83/02/91/920830291.db2.gz JJURHERDOANPEW-RISCZKNCSA-N 1 1 317.386 -1.927 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001376036839 920830381 /nfs/dbraw/zinc/83/03/81/920830381.db2.gz NORRQJWQNZRNIJ-OTYXRUKQSA-N 1 1 320.353 -1.100 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001376037275 920830476 /nfs/dbraw/zinc/83/04/76/920830476.db2.gz QLUWVHDIEKTVGQ-JSGCOSHPSA-N 1 1 310.354 -1.350 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376033691 920830570 /nfs/dbraw/zinc/83/05/70/920830570.db2.gz IMDADKYMDWVBBA-UKRRQHHQSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376033691 920830582 /nfs/dbraw/zinc/83/05/82/920830582.db2.gz IMDADKYMDWVBBA-UKRRQHHQSA-N 1 1 313.398 -1.165 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001376037649 920830655 /nfs/dbraw/zinc/83/06/55/920830655.db2.gz OHCQAQBUZOBVSS-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001376037649 920830664 /nfs/dbraw/zinc/83/06/64/920830664.db2.gz OHCQAQBUZOBVSS-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001376040034 920830819 /nfs/dbraw/zinc/83/08/19/920830819.db2.gz UTCSRRAYICRYKF-CABZTGNLSA-N 1 1 311.346 -2.510 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001376040104 920830956 /nfs/dbraw/zinc/83/09/56/920830956.db2.gz SBHHJUPRBHUVDL-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001376032553 920831010 /nfs/dbraw/zinc/83/10/10/920831010.db2.gz HLWUJFQUNBNBCZ-AWEZNQCLSA-N 1 1 324.385 -1.598 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001376032553 920831018 /nfs/dbraw/zinc/83/10/18/920831018.db2.gz HLWUJFQUNBNBCZ-AWEZNQCLSA-N 1 1 324.385 -1.598 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376044793 920831729 /nfs/dbraw/zinc/83/17/29/920831729.db2.gz DQZRRUURWQGSJT-QMTHXVAHSA-N 1 1 312.370 -1.024 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001376046736 920831857 /nfs/dbraw/zinc/83/18/57/920831857.db2.gz NLRIFMXNNZOGEY-BXUZGUMPSA-N 1 1 312.370 -1.406 20 0 DAADMO C[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042112 920831906 /nfs/dbraw/zinc/83/19/06/920831906.db2.gz KNENIFVFRIWMJH-ABAIWWIYSA-N 1 1 312.414 -1.103 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376041751 920832567 /nfs/dbraw/zinc/83/25/67/920832567.db2.gz WSMPYHWEZKUIHJ-ZWNOBZJWSA-N 1 1 313.358 -2.011 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001376043095 920833490 /nfs/dbraw/zinc/83/34/90/920833490.db2.gz CHQXEQCJGUJVSY-HNNXBMFYSA-N 1 1 321.381 -1.060 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001376043095 920833501 /nfs/dbraw/zinc/83/35/01/920833501.db2.gz CHQXEQCJGUJVSY-HNNXBMFYSA-N 1 1 321.381 -1.060 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376047875 920834496 /nfs/dbraw/zinc/83/44/96/920834496.db2.gz PQCPIYPJFAFGFA-IUODEOHRSA-N 1 1 313.398 -1.019 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ncc[nH]1 ZINC001376041072 920835083 /nfs/dbraw/zinc/83/50/83/920835083.db2.gz XECLKUANRYSYLE-HZMBPMFUSA-N 1 1 307.354 -1.145 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)on1 ZINC001376044119 920835170 /nfs/dbraw/zinc/83/51/70/920835170.db2.gz AATRPAXFCPRCMU-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)on1 ZINC001376044119 920835190 /nfs/dbraw/zinc/83/51/90/920835190.db2.gz AATRPAXFCPRCMU-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376047120 920835537 /nfs/dbraw/zinc/83/55/37/920835537.db2.gz IJZYGJGJAHQVAK-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376047120 920835551 /nfs/dbraw/zinc/83/55/51/920835551.db2.gz IJZYGJGJAHQVAK-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001376046753 920835585 /nfs/dbraw/zinc/83/55/85/920835585.db2.gz NLRIFMXNNZOGEY-FZMZJTMJSA-N 1 1 312.370 -1.406 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001376046153 920836099 /nfs/dbraw/zinc/83/60/99/920836099.db2.gz DZJTUJYFPRCZJW-CQSZACIVSA-N 1 1 311.386 -1.065 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)c1=O ZINC001376047724 920836200 /nfs/dbraw/zinc/83/62/00/920836200.db2.gz ICCPWVPGXRLQTQ-AWEZNQCLSA-N 1 1 309.370 -1.455 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001376066051 920838352 /nfs/dbraw/zinc/83/83/52/920838352.db2.gz DFBXZKFIANCZBB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001376066051 920838371 /nfs/dbraw/zinc/83/83/71/920838371.db2.gz DFBXZKFIANCZBB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(CCF)c2)C1 ZINC001376062836 920838954 /nfs/dbraw/zinc/83/89/54/920838954.db2.gz YQGHSGDWOUAZCT-CYBMUJFWSA-N 1 1 313.333 -1.496 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(CCF)c2)C1 ZINC001376062836 920838967 /nfs/dbraw/zinc/83/89/67/920838967.db2.gz YQGHSGDWOUAZCT-CYBMUJFWSA-N 1 1 313.333 -1.496 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001376056185 920839940 /nfs/dbraw/zinc/83/99/40/920839940.db2.gz YKWIBUFLUDEHPL-BHDSKKPTSA-N 1 1 312.370 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001376056185 920839955 /nfs/dbraw/zinc/83/99/55/920839955.db2.gz YKWIBUFLUDEHPL-BHDSKKPTSA-N 1 1 312.370 -1.349 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001376075378 920841885 /nfs/dbraw/zinc/84/18/85/920841885.db2.gz CCMTZHFTMZODJC-FZMZJTMJSA-N 1 1 314.386 -1.671 20 0 DAADMO O=C(Cc1cnoc1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376077087 920842689 /nfs/dbraw/zinc/84/26/89/920842689.db2.gz HEYLRJNQDIDGFH-FZMZJTMJSA-N 1 1 308.338 -1.341 20 0 DAADMO O=C(Cc1cnoc1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376077087 920842700 /nfs/dbraw/zinc/84/27/00/920842700.db2.gz HEYLRJNQDIDGFH-FZMZJTMJSA-N 1 1 308.338 -1.341 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376067387 920843048 /nfs/dbraw/zinc/84/30/48/920843048.db2.gz YWRZREBYEACRFJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376067387 920843057 /nfs/dbraw/zinc/84/30/57/920843057.db2.gz YWRZREBYEACRFJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376077314 920843647 /nfs/dbraw/zinc/84/36/47/920843647.db2.gz HIBCCIHWVVUVON-CQSZACIVSA-N 1 1 311.338 -1.045 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376077887 920843789 /nfs/dbraw/zinc/84/37/89/920843789.db2.gz FZLVKFDKWSTLNF-FZMZJTMJSA-N 1 1 309.370 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376077887 920843801 /nfs/dbraw/zinc/84/38/01/920843801.db2.gz FZLVKFDKWSTLNF-FZMZJTMJSA-N 1 1 309.370 -1.382 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001376075473 920844714 /nfs/dbraw/zinc/84/47/14/920844714.db2.gz COOJQXHFIUILCD-OCCSQVGLSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075473 920844727 /nfs/dbraw/zinc/84/47/27/920844727.db2.gz COOJQXHFIUILCD-OCCSQVGLSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075473 920844737 /nfs/dbraw/zinc/84/47/37/920844737.db2.gz COOJQXHFIUILCD-OCCSQVGLSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001376087214 920846560 /nfs/dbraw/zinc/84/65/60/920846560.db2.gz ZAEABNDNNNBFCV-KOLCDFICSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001376087214 920846570 /nfs/dbraw/zinc/84/65/70/920846570.db2.gz ZAEABNDNNNBFCV-KOLCDFICSA-N 1 1 311.379 -1.553 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376088737 920846770 /nfs/dbraw/zinc/84/67/70/920846770.db2.gz KKAZKMZOQLUGAP-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376088737 920846780 /nfs/dbraw/zinc/84/67/80/920846780.db2.gz KKAZKMZOQLUGAP-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001376087221 920846958 /nfs/dbraw/zinc/84/69/58/920846958.db2.gz ZAEABNDNNNBFCV-ONGXEEELSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001376087221 920846964 /nfs/dbraw/zinc/84/69/64/920846964.db2.gz ZAEABNDNNNBFCV-ONGXEEELSA-N 1 1 311.379 -1.553 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001376086829 920846977 /nfs/dbraw/zinc/84/69/77/920846977.db2.gz GTAPKGNNRWKHTM-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376086663 920848250 /nfs/dbraw/zinc/84/82/50/920848250.db2.gz BOQKGTIFZNZAJV-COPLHBTASA-N 1 1 315.370 -2.175 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376086508 920848665 /nfs/dbraw/zinc/84/86/65/920848665.db2.gz GIYYTINNBREBSF-CYBMUJFWSA-N 1 1 313.358 -2.123 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001376084706 920848992 /nfs/dbraw/zinc/84/89/92/920848992.db2.gz ALSSKTMFMUZPTB-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001376084706 920849011 /nfs/dbraw/zinc/84/90/11/920849011.db2.gz ALSSKTMFMUZPTB-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376088698 920849366 /nfs/dbraw/zinc/84/93/66/920849366.db2.gz CHTOLLZBRGAJEO-CQSZACIVSA-N 1 1 308.338 -1.661 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001376089105 920850525 /nfs/dbraw/zinc/85/05/25/920850525.db2.gz BFQSHCGPMOMTAT-LKFCYVNXSA-N 1 1 323.353 -1.097 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001376089105 920850538 /nfs/dbraw/zinc/85/05/38/920850538.db2.gz BFQSHCGPMOMTAT-LKFCYVNXSA-N 1 1 323.353 -1.097 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001376093139 920852044 /nfs/dbraw/zinc/85/20/44/920852044.db2.gz PMLSYNQZELXIPN-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001376093139 920852056 /nfs/dbraw/zinc/85/20/56/920852056.db2.gz PMLSYNQZELXIPN-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376096219 920854425 /nfs/dbraw/zinc/85/44/25/920854425.db2.gz SHPWUWZPKRSZDS-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001376096938 920854571 /nfs/dbraw/zinc/85/45/71/920854571.db2.gz MNOFWOODQODLDG-SMDDNHRTSA-N 1 1 310.354 -1.350 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001376088869 920854917 /nfs/dbraw/zinc/85/49/17/920854917.db2.gz KNLKTLOXLRFHCN-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001376088869 920854931 /nfs/dbraw/zinc/85/49/31/920854931.db2.gz KNLKTLOXLRFHCN-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001376101293 920856883 /nfs/dbraw/zinc/85/68/83/920856883.db2.gz CFAAEFOOINZEEX-STQMWFEESA-N 1 1 311.430 -1.454 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376104000 920857262 /nfs/dbraw/zinc/85/72/62/920857262.db2.gz XAVGXEJBPBYECP-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376104000 920857269 /nfs/dbraw/zinc/85/72/69/920857269.db2.gz XAVGXEJBPBYECP-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001376103741 920857440 /nfs/dbraw/zinc/85/74/40/920857440.db2.gz WPLZRLUUMMHCBQ-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001376103741 920857453 /nfs/dbraw/zinc/85/74/53/920857453.db2.gz WPLZRLUUMMHCBQ-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102238 920857771 /nfs/dbraw/zinc/85/77/71/920857771.db2.gz YLEHJBPYIDQEAR-OCCSQVGLSA-N 1 1 301.387 -1.748 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001376104416 920858987 /nfs/dbraw/zinc/85/89/87/920858987.db2.gz YABRXRJQKBLWHS-JOYOIKCWSA-N 1 1 300.315 -1.757 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(CC(=O)N(C)C)C1 ZINC001376102217 920859354 /nfs/dbraw/zinc/85/93/54/920859354.db2.gz XWWWYLOGDWBFSX-OAHLLOKOSA-N 1 1 314.430 -1.032 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376115104 920861107 /nfs/dbraw/zinc/86/11/07/920861107.db2.gz CMPGIOPXANCCGQ-YGRLFVJLSA-N 1 1 323.353 -1.225 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376115104 920861119 /nfs/dbraw/zinc/86/11/19/920861119.db2.gz CMPGIOPXANCCGQ-YGRLFVJLSA-N 1 1 323.353 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001376119378 920861451 /nfs/dbraw/zinc/86/14/51/920861451.db2.gz MNGXKNWNJDZNHY-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376120695 920863209 /nfs/dbraw/zinc/86/32/09/920863209.db2.gz ORNBRUVPVOWJAQ-DGCLKSJQSA-N 1 1 322.427 -1.398 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376120695 920863216 /nfs/dbraw/zinc/86/32/16/920863216.db2.gz ORNBRUVPVOWJAQ-DGCLKSJQSA-N 1 1 322.427 -1.398 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001376126690 920865485 /nfs/dbraw/zinc/86/54/85/920865485.db2.gz ZVLRUAREBLVNAV-ZWNOBZJWSA-N 1 1 314.342 -1.448 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)nc1 ZINC001376123455 920865896 /nfs/dbraw/zinc/86/58/96/920865896.db2.gz SNYXJCDMCBLNLO-AWEZNQCLSA-N 1 1 308.338 -1.661 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376126401 920866421 /nfs/dbraw/zinc/86/64/21/920866421.db2.gz XXJYZMCMGFUEGS-JQWIXIFHSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(COC[C@H]1CCCO1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376125780 920867047 /nfs/dbraw/zinc/86/70/47/920867047.db2.gz XSBJBMMFWFQILI-TZMCWYRMSA-N 1 1 302.371 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001376136493 920868541 /nfs/dbraw/zinc/86/85/41/920868541.db2.gz UDYNIYUECDLEGC-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001376132197 920868685 /nfs/dbraw/zinc/86/86/85/920868685.db2.gz VAXQLSMPFRCVBH-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376132126 920869772 /nfs/dbraw/zinc/86/97/72/920869772.db2.gz UFBJCVSZFXHIQA-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376132126 920869780 /nfs/dbraw/zinc/86/97/80/920869780.db2.gz UFBJCVSZFXHIQA-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001376135839 920870120 /nfs/dbraw/zinc/87/01/20/920870120.db2.gz RINNPJCDARVPGI-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376132122 920870222 /nfs/dbraw/zinc/87/02/22/920870222.db2.gz UFBJCVSZFXHIQA-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376132122 920870238 /nfs/dbraw/zinc/87/02/38/920870238.db2.gz UFBJCVSZFXHIQA-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1COC(=O)N1 ZINC001376162609 920877307 /nfs/dbraw/zinc/87/73/07/920877307.db2.gz MMLGXLRXLHURCZ-QWRGUYRKSA-N 1 1 313.354 -1.316 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001376169731 920880983 /nfs/dbraw/zinc/88/09/83/920880983.db2.gz IIMAFZOUQGPCMW-WCQYABFASA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001376169808 920881481 /nfs/dbraw/zinc/88/14/81/920881481.db2.gz IOBLHYUZAPVQPZ-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001376204797 920893258 /nfs/dbraw/zinc/89/32/58/920893258.db2.gz UYZYPHLQWQTXSY-LBPRGKRZSA-N 1 1 312.370 -1.638 20 0 DAADMO CN1CCC[C@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001376223497 920895132 /nfs/dbraw/zinc/89/51/32/920895132.db2.gz OFIZPHPZTNDCRL-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001376222661 920895340 /nfs/dbraw/zinc/89/53/40/920895340.db2.gz WDCGFCZVXUHNTO-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001376224072 920895936 /nfs/dbraw/zinc/89/59/36/920895936.db2.gz IYESJEBNGWRBPB-WPRPVWTQSA-N 1 1 324.389 -1.316 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001376230897 920896068 /nfs/dbraw/zinc/89/60/68/920896068.db2.gz RDODNBCIJDLFDX-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001376224754 920896120 /nfs/dbraw/zinc/89/61/20/920896120.db2.gz IFFCBKOOXKROMW-LBPRGKRZSA-N 1 1 324.385 -1.475 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001376224754 920896133 /nfs/dbraw/zinc/89/61/33/920896133.db2.gz IFFCBKOOXKROMW-LBPRGKRZSA-N 1 1 324.385 -1.475 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@H]1CNC(=O)N1 ZINC001376232165 920900166 /nfs/dbraw/zinc/90/01/66/920900166.db2.gz MGZZCDLNMZRUTM-GHMZBOCLSA-N 1 1 312.370 -1.743 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001376245368 920902104 /nfs/dbraw/zinc/90/21/04/920902104.db2.gz NQLVXZMFMFSUFH-UHFFFAOYSA-N 1 1 323.397 -1.085 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC1(O)C[NH+](CC(C)C)C1)C(N)=O ZINC001376250452 920902184 /nfs/dbraw/zinc/90/21/84/920902184.db2.gz CZXQHZZSIKYMNV-NSHDSACASA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@@H](O)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001376256989 920905001 /nfs/dbraw/zinc/90/50/01/920905001.db2.gz LBEDDCTVOMVQDA-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001376255256 920905352 /nfs/dbraw/zinc/90/53/52/920905352.db2.gz MWASMTZFSMSTJN-KXUCPTDWSA-N 1 1 307.358 -1.684 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)CCNC(N)=O)C2CC2)n1 ZINC001376259334 920906058 /nfs/dbraw/zinc/90/60/58/920906058.db2.gz BJPIZPWFIQBIKG-LLVKDONJSA-N 1 1 309.374 -1.142 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)CCNC(N)=O)C2CC2)n1 ZINC001376259342 920906211 /nfs/dbraw/zinc/90/62/11/920906211.db2.gz BJPIZPWFIQBIKG-NSHDSACASA-N 1 1 309.374 -1.142 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001376268255 920907351 /nfs/dbraw/zinc/90/73/51/920907351.db2.gz OJZLNGLFEFLQBT-UHFFFAOYSA-N 1 1 310.402 -1.217 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376272416 920908452 /nfs/dbraw/zinc/90/84/52/920908452.db2.gz FGNHLMLLBADFMV-LLVKDONJSA-N 1 1 319.373 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001376270761 920908607 /nfs/dbraw/zinc/90/86/07/920908607.db2.gz OZPLJWXUNKCDLY-UHFFFAOYSA-N 1 1 310.402 -1.217 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001376271631 920908920 /nfs/dbraw/zinc/90/89/20/920908920.db2.gz ZVIIHZLAQWHQBU-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376291708 920910826 /nfs/dbraw/zinc/91/08/26/920910826.db2.gz XLCVMKWYPOEEOU-LLVKDONJSA-N 1 1 308.386 -1.570 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001376277147 920912398 /nfs/dbraw/zinc/91/23/98/920912398.db2.gz RCLARUYFNQADTE-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001376277148 920913318 /nfs/dbraw/zinc/91/33/18/920913318.db2.gz RCLARUYFNQADTE-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001376288737 920913491 /nfs/dbraw/zinc/91/34/91/920913491.db2.gz JDVYPUJWLYIWTF-WDEREUQCSA-N 1 1 309.374 -1.283 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376298314 920914714 /nfs/dbraw/zinc/91/47/14/920914714.db2.gz UBJNQIKNYJCYSR-NSHDSACASA-N 1 1 313.402 -1.216 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001376313711 920917617 /nfs/dbraw/zinc/91/76/17/920917617.db2.gz JLCYQPSTLJRSGM-JTQLQIEISA-N 1 1 307.358 -1.573 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001376305975 920919390 /nfs/dbraw/zinc/91/93/90/920919390.db2.gz QBEIVJSSJNXKKX-DCAQKATOSA-N 1 1 320.415 -1.998 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001376392606 920927508 /nfs/dbraw/zinc/92/75/08/920927508.db2.gz VDPGHBYAYGNCKX-GRYCIOLGSA-N 1 1 309.370 -1.174 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001376381723 920927914 /nfs/dbraw/zinc/92/79/14/920927914.db2.gz KUHDLDUCEAXMHR-XQQFMLRXSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001376388452 920928565 /nfs/dbraw/zinc/92/85/65/920928565.db2.gz DVZROFDGFBQROV-GARJFASQSA-N 1 1 321.385 -1.238 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001376388452 920928579 /nfs/dbraw/zinc/92/85/79/920928579.db2.gz DVZROFDGFBQROV-GARJFASQSA-N 1 1 321.385 -1.238 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C1 ZINC001376397857 920931068 /nfs/dbraw/zinc/93/10/68/920931068.db2.gz NTTXNSNZUJRCDY-UTUOFQBUSA-N 1 1 319.427 -1.351 20 0 DAADMO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001376417758 920931445 /nfs/dbraw/zinc/93/14/45/920931445.db2.gz OZXKWOAATFRTHR-JHJVBQTASA-N 1 1 312.414 -1.063 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001376407047 920932032 /nfs/dbraw/zinc/93/20/32/920932032.db2.gz BBWDTQKNTIOEHX-LPEHRKFASA-N 1 1 318.399 -2.200 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 ZINC001376411405 920933826 /nfs/dbraw/zinc/93/38/26/920933826.db2.gz VOAVUYMJQVXTHT-ZMLRMANQSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 ZINC001376411397 920934074 /nfs/dbraw/zinc/93/40/74/920934074.db2.gz VOAVUYMJQVXTHT-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001376458768 920939228 /nfs/dbraw/zinc/93/92/28/920939228.db2.gz MZZUMAFJCIABIN-MFKMUULPSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CN2CCCC2=O)C1 ZINC001376451944 920939556 /nfs/dbraw/zinc/93/95/56/920939556.db2.gz SWQZQFSLETVANV-DOMZBBRYSA-N 1 1 313.398 -1.067 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001376454625 920939695 /nfs/dbraw/zinc/93/96/95/920939695.db2.gz IJGZNUOZFWMNAG-OUCADQQQSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001376455421 920940009 /nfs/dbraw/zinc/94/00/09/920940009.db2.gz IETNSGNHHMKJEK-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCCC(=O)N1 ZINC001376464817 920941503 /nfs/dbraw/zinc/94/15/03/920941503.db2.gz LRCUTKXVMNHVQT-IUODEOHRSA-N 1 1 313.398 -1.019 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001376460432 920942145 /nfs/dbraw/zinc/94/21/45/920942145.db2.gz GRGDTKVRBDDUGY-XHDPSFHLSA-N 1 1 324.381 -1.282 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001376460425 920942423 /nfs/dbraw/zinc/94/24/23/920942423.db2.gz GRGDTKVRBDDUGY-IAQYHMDHSA-N 1 1 324.381 -1.282 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001376459301 920942851 /nfs/dbraw/zinc/94/28/51/920942851.db2.gz GCLBMYWABVWSBI-DTORHVGOSA-N 1 1 317.371 -1.254 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1=O ZINC001376469021 920944754 /nfs/dbraw/zinc/94/47/54/920944754.db2.gz VBCKEMFTKISHJG-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1=O ZINC001376469019 920945253 /nfs/dbraw/zinc/94/52/53/920945253.db2.gz VBCKEMFTKISHJG-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001376479072 920948640 /nfs/dbraw/zinc/94/86/40/920948640.db2.gz BUNCQNCSJZZEQA-WDEREUQCSA-N 1 1 313.354 -1.438 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001376493313 920954000 /nfs/dbraw/zinc/95/40/00/920954000.db2.gz ZWWIHZXYENBPOX-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001376490363 920954224 /nfs/dbraw/zinc/95/42/24/920954224.db2.gz KWBFRLXMJMEMRL-JTQLQIEISA-N 1 1 313.362 -2.393 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376497603 920956805 /nfs/dbraw/zinc/95/68/05/920956805.db2.gz JECDMKPDHSDNJZ-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001376497637 920958921 /nfs/dbraw/zinc/95/89/21/920958921.db2.gz AGEFRVAYKMVXFA-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCCC(N)=O)C1 ZINC001376506932 920960034 /nfs/dbraw/zinc/96/00/34/920960034.db2.gz FHZOECVOOGXXRC-BXUZGUMPSA-N 1 1 301.387 -1.034 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCCC(N)=O)C1 ZINC001376506944 920960828 /nfs/dbraw/zinc/96/08/28/920960828.db2.gz FHZOECVOOGXXRC-SMDDNHRTSA-N 1 1 301.387 -1.034 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001376510188 920961659 /nfs/dbraw/zinc/96/16/59/920961659.db2.gz CDDYPRMDVHSIDZ-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001376507153 920961858 /nfs/dbraw/zinc/96/18/58/920961858.db2.gz KFTRFHCPTHNUGS-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001376517922 920964062 /nfs/dbraw/zinc/96/40/62/920964062.db2.gz UOIKZQJSADPLTC-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001376517922 920964077 /nfs/dbraw/zinc/96/40/77/920964077.db2.gz UOIKZQJSADPLTC-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376530753 920965890 /nfs/dbraw/zinc/96/58/90/920965890.db2.gz JAKHBOBFISJHMK-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)cn1 ZINC001376529520 920966403 /nfs/dbraw/zinc/96/64/03/920966403.db2.gz XLGDJZNUNOERFG-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001376528157 920967265 /nfs/dbraw/zinc/96/72/65/920967265.db2.gz DBMOYAKAFSHWLY-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001376524344 920968144 /nfs/dbraw/zinc/96/81/44/920968144.db2.gz CGIKMHYUVWVKBG-LBPRGKRZSA-N 1 1 321.381 -1.053 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001376524344 920968159 /nfs/dbraw/zinc/96/81/59/920968159.db2.gz CGIKMHYUVWVKBG-LBPRGKRZSA-N 1 1 321.381 -1.053 20 0 DAADMO O=C(CCc1nc[nH]n1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001376539159 920973974 /nfs/dbraw/zinc/97/39/74/920973974.db2.gz LPKATFGUOMLBJH-JTQLQIEISA-N 1 1 310.358 -1.964 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001376551907 920977810 /nfs/dbraw/zinc/97/78/10/920977810.db2.gz SQSDXBZGIHKMDJ-WCQYABFASA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001376549583 920978010 /nfs/dbraw/zinc/97/80/10/920978010.db2.gz NAELPGAQYRGNBC-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549583 920978063 /nfs/dbraw/zinc/97/80/63/920978063.db2.gz NAELPGAQYRGNBC-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549583 920978072 /nfs/dbraw/zinc/97/80/72/920978072.db2.gz NAELPGAQYRGNBC-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001376551905 920980215 /nfs/dbraw/zinc/98/02/15/920980215.db2.gz SQSDXBZGIHKMDJ-AAEUAGOBSA-N 1 1 323.397 -1.052 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn(C)cn2)C1 ZINC001376567022 920982099 /nfs/dbraw/zinc/98/20/99/920982099.db2.gz CBEVHTNXJHZECQ-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001376564961 920982277 /nfs/dbraw/zinc/98/22/77/920982277.db2.gz UECOMMHPRKLBMZ-WCBMZHEXSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001376564961 920982300 /nfs/dbraw/zinc/98/23/00/920982300.db2.gz UECOMMHPRKLBMZ-WCBMZHEXSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001376564959 920982463 /nfs/dbraw/zinc/98/24/63/920982463.db2.gz UECOMMHPRKLBMZ-SCZZXKLOSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001376564959 920982474 /nfs/dbraw/zinc/98/24/74/920982474.db2.gz UECOMMHPRKLBMZ-SCZZXKLOSA-N 1 1 313.314 -2.393 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1)c1ncccn1 ZINC001376553199 920983002 /nfs/dbraw/zinc/98/30/02/920983002.db2.gz XZLOAMWUYPHELI-QWRGUYRKSA-N 1 1 322.369 -1.371 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001376594617 920986749 /nfs/dbraw/zinc/98/67/49/920986749.db2.gz BSLFFLHEJZFZGR-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001376593871 920987469 /nfs/dbraw/zinc/98/74/69/920987469.db2.gz YERPYEQDXUDFNA-VHSXEESVSA-N 1 1 324.385 -1.839 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001376593869 920987923 /nfs/dbraw/zinc/98/79/23/920987923.db2.gz YERPYEQDXUDFNA-NXEZZACHSA-N 1 1 324.385 -1.839 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001376600837 920990008 /nfs/dbraw/zinc/99/00/08/920990008.db2.gz OFEOYIUSSDYIHL-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001376622666 920993366 /nfs/dbraw/zinc/99/33/66/920993366.db2.gz DHIDYNKUTZOETC-DTWKUNHWSA-N 1 1 311.346 -2.631 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001376622667 920993871 /nfs/dbraw/zinc/99/38/71/920993871.db2.gz DHIDYNKUTZOETC-IUCAKERBSA-N 1 1 311.346 -2.631 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376632140 920994816 /nfs/dbraw/zinc/99/48/16/920994816.db2.gz VVNZVXWYYFPTEK-ZJUUUORDSA-N 1 1 315.374 -2.540 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629041 920997067 /nfs/dbraw/zinc/99/70/67/920997067.db2.gz OEXYWALTOWOHGX-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629041 920997081 /nfs/dbraw/zinc/99/70/81/920997081.db2.gz OEXYWALTOWOHGX-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376625172 920997192 /nfs/dbraw/zinc/99/71/92/920997192.db2.gz IGOFEOAVHRDTFN-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638535 921000259 /nfs/dbraw/zinc/00/02/59/921000259.db2.gz AKNUMIFNMNFVNK-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638535 921000275 /nfs/dbraw/zinc/00/02/75/921000275.db2.gz AKNUMIFNMNFVNK-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001376643808 921001234 /nfs/dbraw/zinc/00/12/34/921001234.db2.gz NPGQSHQNNQTFCX-HMUNZLOLSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001376643812 921001286 /nfs/dbraw/zinc/00/12/86/921001286.db2.gz NPGQSHQNNQTFCX-XPORZQOISA-N 1 1 308.382 -1.177 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001376640003 921002506 /nfs/dbraw/zinc/00/25/06/921002506.db2.gz DWNODHZVRXXGLT-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001376640003 921002523 /nfs/dbraw/zinc/00/25/23/921002523.db2.gz DWNODHZVRXXGLT-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1)C1CCC1 ZINC001376642881 921002859 /nfs/dbraw/zinc/00/28/59/921002859.db2.gz PFLGKFCGLWIHCL-CYBMUJFWSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cncn2C)C1 ZINC001376654796 921008200 /nfs/dbraw/zinc/00/82/00/921008200.db2.gz JAOKSAKORUGVKP-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001376656914 921008962 /nfs/dbraw/zinc/00/89/62/921008962.db2.gz FDGIORRRSMTJBM-QHUBEEEXSA-N 1 1 311.382 -1.291 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cncn2C)C1 ZINC001376654486 921009788 /nfs/dbraw/zinc/00/97/88/921009788.db2.gz JAOKSAKORUGVKP-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)c1cnon1 ZINC001376663894 921010556 /nfs/dbraw/zinc/01/05/56/921010556.db2.gz QSNRXVFNKNYWRD-HZMBPMFUSA-N 1 1 323.353 -1.238 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cncn1C ZINC001376664825 921011378 /nfs/dbraw/zinc/01/13/78/921011378.db2.gz VZCGEUXRFCRTRJ-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)CC1 ZINC001376673867 921015078 /nfs/dbraw/zinc/01/50/78/921015078.db2.gz JOSLYRVFGBXVKQ-JTQLQIEISA-N 1 1 324.385 -1.718 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)CNC(=O)Cn1ncnn1 ZINC001376719066 921018778 /nfs/dbraw/zinc/01/87/78/921018778.db2.gz BOTPRKJYSBZCGA-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nonc1C ZINC001376748189 921023589 /nfs/dbraw/zinc/02/35/89/921023589.db2.gz UGZMECJJXGJGJT-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001376741752 921025041 /nfs/dbraw/zinc/02/50/41/921025041.db2.gz XFERWXGSRBUXIP-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001376768855 921026623 /nfs/dbraw/zinc/02/66/23/921026623.db2.gz CEMIDCSTHYTHBJ-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001376760362 921026667 /nfs/dbraw/zinc/02/66/67/921026667.db2.gz POESSAPCLXHSRA-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001376788450 921029358 /nfs/dbraw/zinc/02/93/58/921029358.db2.gz CRTXUHQAVQVCKO-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001376788450 921029376 /nfs/dbraw/zinc/02/93/76/921029376.db2.gz CRTXUHQAVQVCKO-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001376785418 921030098 /nfs/dbraw/zinc/03/00/98/921030098.db2.gz OOTGISNZCKLRRR-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001376778244 921030748 /nfs/dbraw/zinc/03/07/48/921030748.db2.gz ARGLSKRWTTYRCW-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001376814182 921033827 /nfs/dbraw/zinc/03/38/27/921033827.db2.gz UMHZWNSIBWDGKR-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376829375 921037341 /nfs/dbraw/zinc/03/73/41/921037341.db2.gz QGBUGSBDMGMBOS-GHMZBOCLSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376829375 921037351 /nfs/dbraw/zinc/03/73/51/921037351.db2.gz QGBUGSBDMGMBOS-GHMZBOCLSA-N 1 1 309.370 -1.096 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001376842432 921040355 /nfs/dbraw/zinc/04/03/55/921040355.db2.gz TXXKMXPWIGTTOL-ZYHUDNBSSA-N 1 1 324.385 -1.343 20 0 DAADMO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001376848866 921040496 /nfs/dbraw/zinc/04/04/96/921040496.db2.gz DJHNWPHRPUGEKA-MNOVXSKESA-N 1 1 324.385 -1.182 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001376847185 921041775 /nfs/dbraw/zinc/04/17/75/921041775.db2.gz BAEGWHKPXBWQAN-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001376842431 921042518 /nfs/dbraw/zinc/04/25/18/921042518.db2.gz TXXKMXPWIGTTOL-PWSUYJOCSA-N 1 1 324.385 -1.343 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377367951 921810420 /nfs/dbraw/zinc/81/04/20/921810420.db2.gz MQTAWQUODJVIHH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377367951 921810435 /nfs/dbraw/zinc/81/04/35/921810435.db2.gz MQTAWQUODJVIHH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001377392851 921811562 /nfs/dbraw/zinc/81/15/62/921811562.db2.gz PCQXSEBPUGLWFI-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001377387769 921812146 /nfs/dbraw/zinc/81/21/46/921812146.db2.gz HZWLHSWWMAWXMB-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001377387959 921812589 /nfs/dbraw/zinc/81/25/89/921812589.db2.gz IMMKHRCEBREHBA-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001377398017 921812774 /nfs/dbraw/zinc/81/27/74/921812774.db2.gz KXRFPLZKWJJTKP-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001377398017 921812789 /nfs/dbraw/zinc/81/27/89/921812789.db2.gz KXRFPLZKWJJTKP-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)COC ZINC001377389912 921813685 /nfs/dbraw/zinc/81/36/85/921813685.db2.gz XMRUOUOUVRFKNF-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001377387760 921813854 /nfs/dbraw/zinc/81/38/54/921813854.db2.gz HZWLHSWWMAWXMB-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001377413248 921817164 /nfs/dbraw/zinc/81/71/64/921817164.db2.gz SBTQKIODCGPOCO-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001377413248 921817172 /nfs/dbraw/zinc/81/71/72/921817172.db2.gz SBTQKIODCGPOCO-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001377417506 921817361 /nfs/dbraw/zinc/81/73/61/921817361.db2.gz SFLBMFXTHSQOAO-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001377432286 921817382 /nfs/dbraw/zinc/81/73/82/921817382.db2.gz VBDHZKQLQQMISM-ZJUUUORDSA-N 1 1 320.357 -1.104 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427437 921818205 /nfs/dbraw/zinc/81/82/05/921818205.db2.gz NBIDIVZQERFSPZ-SNVBAGLBSA-N 1 1 323.357 -1.686 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427437 921818219 /nfs/dbraw/zinc/81/82/19/921818219.db2.gz NBIDIVZQERFSPZ-SNVBAGLBSA-N 1 1 323.357 -1.686 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377441295 921819043 /nfs/dbraw/zinc/81/90/43/921819043.db2.gz DWKPIMSHBZULFK-RYUDHWBXSA-N 1 1 323.397 -2.255 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001377436866 921820042 /nfs/dbraw/zinc/82/00/42/921820042.db2.gz OENHKLGBHVYNQN-VHSXEESVSA-N 1 1 320.415 -1.810 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377438996 921820625 /nfs/dbraw/zinc/82/06/25/921820625.db2.gz IPYCCJUDDSWXPS-NWDGAFQWSA-N 1 1 324.381 -1.828 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377451448 921820699 /nfs/dbraw/zinc/82/06/99/921820699.db2.gz JEMIFSARNSUWMW-MNOVXSKESA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377451278 921821006 /nfs/dbraw/zinc/82/10/06/921821006.db2.gz IGTHRMPQPFOXMW-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377445329 921821128 /nfs/dbraw/zinc/82/11/28/921821128.db2.gz IXKZQFDXOBGTOA-LLVKDONJSA-N 1 1 324.385 -1.892 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377435365 921821477 /nfs/dbraw/zinc/82/14/77/921821477.db2.gz HJJQMXFGPVLTEN-JTQLQIEISA-N 1 1 324.385 -1.427 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377435365 921821489 /nfs/dbraw/zinc/82/14/89/921821489.db2.gz HJJQMXFGPVLTEN-JTQLQIEISA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001377436859 921821575 /nfs/dbraw/zinc/82/15/75/921821575.db2.gz OENHKLGBHVYNQN-UWVGGRQHSA-N 1 1 320.415 -1.810 20 0 DAADMO CN(CC(=O)NC[C@H]1CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001377438339 921821653 /nfs/dbraw/zinc/82/16/53/921821653.db2.gz QLWIVXJTZOSUOI-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001377451275 921822197 /nfs/dbraw/zinc/82/21/97/921822197.db2.gz IGTHRMPQPFOXMW-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001377462014 921823981 /nfs/dbraw/zinc/82/39/81/921823981.db2.gz LLKGYPSQGHAHTH-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001377462014 921823986 /nfs/dbraw/zinc/82/39/86/921823986.db2.gz LLKGYPSQGHAHTH-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377474346 921824236 /nfs/dbraw/zinc/82/42/36/921824236.db2.gz ICDZKKUHXUJQER-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001377464757 921825511 /nfs/dbraw/zinc/82/55/11/921825511.db2.gz QUKGIIQKHOLJJI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001377464757 921825520 /nfs/dbraw/zinc/82/55/20/921825520.db2.gz QUKGIIQKHOLJJI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377480742 921826988 /nfs/dbraw/zinc/82/69/88/921826988.db2.gz WYWOAUIPKQVPJT-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377480742 921827002 /nfs/dbraw/zinc/82/70/02/921827002.db2.gz WYWOAUIPKQVPJT-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(N)=O ZINC001377497694 921827482 /nfs/dbraw/zinc/82/74/82/921827482.db2.gz NHKPWJGQXQZSKK-IAZYJMLFSA-N 1 1 312.370 -1.098 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(N)=O ZINC001377497694 921827494 /nfs/dbraw/zinc/82/74/94/921827494.db2.gz NHKPWJGQXQZSKK-IAZYJMLFSA-N 1 1 312.370 -1.098 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001377480179 921827695 /nfs/dbraw/zinc/82/76/95/921827695.db2.gz SLWWITSOAKIKHX-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377511945 921830114 /nfs/dbraw/zinc/83/01/14/921830114.db2.gz HLELYBLAMXHKSB-KIJLLGNVSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377511945 921830121 /nfs/dbraw/zinc/83/01/21/921830121.db2.gz HLELYBLAMXHKSB-KIJLLGNVSA-N 1 1 311.382 -1.170 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001377514476 921831622 /nfs/dbraw/zinc/83/16/22/921831622.db2.gz URUIVGMPKCYOEJ-ONGXEEELSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001377514476 921831635 /nfs/dbraw/zinc/83/16/35/921831635.db2.gz URUIVGMPKCYOEJ-ONGXEEELSA-N 1 1 324.385 -1.311 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001377529658 921831873 /nfs/dbraw/zinc/83/18/73/921831873.db2.gz WGNRCLASSPUWEA-QWRGUYRKSA-N 1 1 301.343 -1.317 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001377550756 921833520 /nfs/dbraw/zinc/83/35/20/921833520.db2.gz SIAQXPPHODDGPM-NSHDSACASA-N 1 1 324.385 -1.364 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](CC(=O)NCC2CC2)C2CC2)n1 ZINC001377548910 921833902 /nfs/dbraw/zinc/83/39/02/921833902.db2.gz ZQJOBPDDACNBIQ-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CC(=O)NCC2CC2)C2CC2)n1 ZINC001377548910 921833915 /nfs/dbraw/zinc/83/39/15/921833915.db2.gz ZQJOBPDDACNBIQ-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001377541295 921834358 /nfs/dbraw/zinc/83/43/58/921834358.db2.gz HHGKIXBBDFJQMZ-JTQLQIEISA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001377541295 921834366 /nfs/dbraw/zinc/83/43/66/921834366.db2.gz HHGKIXBBDFJQMZ-JTQLQIEISA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001377554935 921835034 /nfs/dbraw/zinc/83/50/34/921835034.db2.gz PQDOYTRTCKGZNE-CABZTGNLSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001377554935 921835040 /nfs/dbraw/zinc/83/50/40/921835040.db2.gz PQDOYTRTCKGZNE-CABZTGNLSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001377547312 921835295 /nfs/dbraw/zinc/83/52/95/921835295.db2.gz MKBYXIGXQNFMNH-BDAKNGLRSA-N 1 1 314.342 -2.088 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545885 921835874 /nfs/dbraw/zinc/83/58/74/921835874.db2.gz POZRKKVQHSYXIT-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545885 921835899 /nfs/dbraw/zinc/83/58/99/921835899.db2.gz POZRKKVQHSYXIT-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cnn(C)c2)CC1 ZINC001377554172 921835938 /nfs/dbraw/zinc/83/59/38/921835938.db2.gz WNIPFJCWPFDHFI-UHFFFAOYSA-N 1 1 323.397 -1.348 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001377547079 921836256 /nfs/dbraw/zinc/83/62/56/921836256.db2.gz LJIUVWPOMINSBJ-SECBINFHSA-N 1 1 310.358 -1.754 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001377555812 921836333 /nfs/dbraw/zinc/83/63/33/921836333.db2.gz XLUDHNAOVCDVJV-INTQDDNPSA-N 1 1 312.370 -1.526 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001377555812 921836341 /nfs/dbraw/zinc/83/63/41/921836341.db2.gz XLUDHNAOVCDVJV-INTQDDNPSA-N 1 1 312.370 -1.526 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001377569165 921838287 /nfs/dbraw/zinc/83/82/87/921838287.db2.gz QEZLURZPEXJDFI-JTQLQIEISA-N 1 1 324.385 -1.066 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)c2ncn[nH]2)CC1 ZINC001377573620 921838891 /nfs/dbraw/zinc/83/88/91/921838891.db2.gz KHGOCBCVVCKXND-JTQLQIEISA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 ZINC001377573620 921838908 /nfs/dbraw/zinc/83/89/08/921838908.db2.gz KHGOCBCVVCKXND-JTQLQIEISA-N 1 1 313.358 -1.631 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377584130 921841183 /nfs/dbraw/zinc/84/11/83/921841183.db2.gz QCTRFWDEGMMWNK-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377584130 921841192 /nfs/dbraw/zinc/84/11/92/921841192.db2.gz QCTRFWDEGMMWNK-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ncc[nH]2)CC1 ZINC001377583186 921842170 /nfs/dbraw/zinc/84/21/70/921842170.db2.gz XLSLIGMRJUORIV-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001377633924 921844217 /nfs/dbraw/zinc/84/42/17/921844217.db2.gz LDGCQMLARBWQKA-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001377633924 921844235 /nfs/dbraw/zinc/84/42/35/921844235.db2.gz LDGCQMLARBWQKA-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cn2nccn2)C1 ZINC001377662343 921847589 /nfs/dbraw/zinc/84/75/89/921847589.db2.gz CXRAKQSOOJRPQR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cn2nccn2)C1 ZINC001377662343 921847600 /nfs/dbraw/zinc/84/76/00/921847600.db2.gz CXRAKQSOOJRPQR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)N2CCC2)n1 ZINC001377653152 921848469 /nfs/dbraw/zinc/84/84/69/921848469.db2.gz GUPRAAKSNWNLMP-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)N2CCC2)n1 ZINC001377653152 921848485 /nfs/dbraw/zinc/84/84/85/921848485.db2.gz GUPRAAKSNWNLMP-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001377679136 921849989 /nfs/dbraw/zinc/84/99/89/921849989.db2.gz PSNBOWCVXCPQLI-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001377660584 921850097 /nfs/dbraw/zinc/85/00/97/921850097.db2.gz VJWBKSFTUOZUBW-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001377660580 921850246 /nfs/dbraw/zinc/85/02/46/921850246.db2.gz VJWBKSFTUOZUBW-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001377704989 921852915 /nfs/dbraw/zinc/85/29/15/921852915.db2.gz XAPAODMNORQIJG-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377712070 921853663 /nfs/dbraw/zinc/85/36/63/921853663.db2.gz WFFBYJRYZOKHMI-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377731776 921855300 /nfs/dbraw/zinc/85/53/00/921855300.db2.gz XXOALXIXCQXODM-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001377720508 921855399 /nfs/dbraw/zinc/85/53/99/921855399.db2.gz RODBZDFHIRFDBH-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001377720508 921855413 /nfs/dbraw/zinc/85/54/13/921855413.db2.gz RODBZDFHIRFDBH-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)nn1 ZINC001377758386 921858947 /nfs/dbraw/zinc/85/89/47/921858947.db2.gz OPUQDZUUCBYUES-LLVKDONJSA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377770329 921859978 /nfs/dbraw/zinc/85/99/78/921859978.db2.gz RHHMMUIZNZBJRV-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001377744800 921860306 /nfs/dbraw/zinc/86/03/06/921860306.db2.gz NHDVFGBIIWTOPG-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001377745250 921860769 /nfs/dbraw/zinc/86/07/69/921860769.db2.gz BJDVENIANZISLR-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1)S(C)(=O)=O ZINC001377765077 921861078 /nfs/dbraw/zinc/86/10/78/921861078.db2.gz ZJMIZRLMLKPYTD-NSHDSACASA-N 1 1 307.416 -1.350 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001377835450 921866591 /nfs/dbraw/zinc/86/65/91/921866591.db2.gz HGODSCHXTFXJFL-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001377854931 921869716 /nfs/dbraw/zinc/86/97/16/921869716.db2.gz SORYKDGODKYZEY-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001377854931 921869724 /nfs/dbraw/zinc/86/97/24/921869724.db2.gz SORYKDGODKYZEY-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001377917231 921882559 /nfs/dbraw/zinc/88/25/59/921882559.db2.gz MYEVMEWMUGOBQV-RKDXNWHRSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377939647 921885372 /nfs/dbraw/zinc/88/53/72/921885372.db2.gz MMEVQQIUOLGEQP-WDEREUQCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377939647 921885374 /nfs/dbraw/zinc/88/53/74/921885374.db2.gz MMEVQQIUOLGEQP-WDEREUQCSA-N 1 1 309.370 -1.096 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001377968835 921891542 /nfs/dbraw/zinc/89/15/42/921891542.db2.gz FJOLNJMOMLNAOO-SECBINFHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)NCCC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001377970627 921891678 /nfs/dbraw/zinc/89/16/78/921891678.db2.gz PPCHWQIISIHNCB-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001377994372 921897912 /nfs/dbraw/zinc/89/79/12/921897912.db2.gz FRHGJITZTNXMRC-NEPJUHHUSA-N 1 1 308.382 -1.318 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CNC(=O)NC ZINC001378033165 921900409 /nfs/dbraw/zinc/90/04/09/921900409.db2.gz KTGCDNWBXKGIGE-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001378022286 921901214 /nfs/dbraw/zinc/90/12/14/921901214.db2.gz PGCGUQKXOILZGS-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001378036572 921903207 /nfs/dbraw/zinc/90/32/07/921903207.db2.gz JBKFYXORDSVHJS-FIQHERPVSA-N 1 1 323.397 -1.051 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001378043375 921903273 /nfs/dbraw/zinc/90/32/73/921903273.db2.gz IBXHLPSXVLIOAJ-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001378041470 921903405 /nfs/dbraw/zinc/90/34/05/921903405.db2.gz YFVUTRNNYFCWJK-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001378041470 921903415 /nfs/dbraw/zinc/90/34/15/921903415.db2.gz YFVUTRNNYFCWJK-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001378040628 921903836 /nfs/dbraw/zinc/90/38/36/921903836.db2.gz ANJKREXZCBGSFP-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001378040628 921903848 /nfs/dbraw/zinc/90/38/48/921903848.db2.gz ANJKREXZCBGSFP-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001378037542 921903937 /nfs/dbraw/zinc/90/39/37/921903937.db2.gz NYNDNNFDIQCUDY-GARJFASQSA-N 1 1 309.370 -1.439 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001378051859 921904970 /nfs/dbraw/zinc/90/49/70/921904970.db2.gz FSVSMCQVWQIXHQ-QWRGUYRKSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001378035026 921905280 /nfs/dbraw/zinc/90/52/80/921905280.db2.gz ZIHBHXIJFHYNFO-RYUDHWBXSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001378049635 921905643 /nfs/dbraw/zinc/90/56/43/921905643.db2.gz VTGSVYVGYLILGD-WOPDTQHZSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001378056205 921907607 /nfs/dbraw/zinc/90/76/07/921907607.db2.gz URJHISZZBLJCAV-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378056205 921907617 /nfs/dbraw/zinc/90/76/17/921907617.db2.gz URJHISZZBLJCAV-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001378065473 921908851 /nfs/dbraw/zinc/90/88/51/921908851.db2.gz DCZUTADWCCYSPB-RYUDHWBXSA-N 1 1 314.386 -2.384 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001378059433 921908914 /nfs/dbraw/zinc/90/89/14/921908914.db2.gz HTDYEENIDCAONC-WDEREUQCSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001378059433 921908923 /nfs/dbraw/zinc/90/89/23/921908923.db2.gz HTDYEENIDCAONC-WDEREUQCSA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001378060604 921909158 /nfs/dbraw/zinc/90/91/58/921909158.db2.gz NCPQWHPXYUPQNW-IUCAKERBSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001378060604 921909169 /nfs/dbraw/zinc/90/91/69/921909169.db2.gz NCPQWHPXYUPQNW-IUCAKERBSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001378059169 921909642 /nfs/dbraw/zinc/90/96/42/921909642.db2.gz IXBBYFJXORZPTG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001378059169 921909648 /nfs/dbraw/zinc/90/96/48/921909648.db2.gz IXBBYFJXORZPTG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001378069471 921909669 /nfs/dbraw/zinc/90/96/69/921909669.db2.gz HZLKFENVYRPWHP-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001378069471 921909675 /nfs/dbraw/zinc/90/96/75/921909675.db2.gz HZLKFENVYRPWHP-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378098883 921912506 /nfs/dbraw/zinc/91/25/06/921912506.db2.gz BVYOWMNAHIEROH-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378098883 921912518 /nfs/dbraw/zinc/91/25/18/921912518.db2.gz BVYOWMNAHIEROH-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087284 921912791 /nfs/dbraw/zinc/91/27/91/921912791.db2.gz UZKGLUPEZXKAGY-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087284 921912796 /nfs/dbraw/zinc/91/27/96/921912796.db2.gz UZKGLUPEZXKAGY-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378071919 921913762 /nfs/dbraw/zinc/91/37/62/921913762.db2.gz DLPUASYQBFUUDT-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001378090148 921913920 /nfs/dbraw/zinc/91/39/20/921913920.db2.gz TZPJRGXGNVELLE-IHRRRGAJSA-N 1 1 315.414 -1.095 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001378084695 921914059 /nfs/dbraw/zinc/91/40/59/921914059.db2.gz UFRIZTLRVYRALZ-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)N(C)C ZINC001378083648 921914712 /nfs/dbraw/zinc/91/47/12/921914712.db2.gz KUSKVHUZMVNXKT-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)N(C)C ZINC001378083648 921914719 /nfs/dbraw/zinc/91/47/19/921914719.db2.gz KUSKVHUZMVNXKT-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001378090988 921914831 /nfs/dbraw/zinc/91/48/31/921914831.db2.gz VLJHDXGLRUSMNU-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001378090988 921914841 /nfs/dbraw/zinc/91/48/41/921914841.db2.gz VLJHDXGLRUSMNU-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001378105351 921917475 /nfs/dbraw/zinc/91/74/75/921917475.db2.gz DMWCZDGWWYOWLC-VHSXEESVSA-N 1 1 312.374 -1.741 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001378113551 921917911 /nfs/dbraw/zinc/91/79/11/921917911.db2.gz JMAGJEPOECHJAH-GHMZBOCLSA-N 1 1 313.402 -1.881 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378109229 921917950 /nfs/dbraw/zinc/91/79/50/921917950.db2.gz LNKBRDCHTGFNTK-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378109229 921917956 /nfs/dbraw/zinc/91/79/56/921917956.db2.gz LNKBRDCHTGFNTK-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@]1(CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001378132283 921918817 /nfs/dbraw/zinc/91/88/17/921918817.db2.gz QNCRQFADPQFJRP-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCc2nnnn2CC1)[N@H+](C)CC(N)=O ZINC001378127109 921919570 /nfs/dbraw/zinc/91/95/70/921919570.db2.gz DABSSDBWIMUJFQ-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCc2nnnn2CC1)[N@@H+](C)CC(N)=O ZINC001378127109 921919580 /nfs/dbraw/zinc/91/95/80/921919580.db2.gz DABSSDBWIMUJFQ-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](CNC(=O)c1n[nH]cc1F)[N@H+](C)CC(=O)NC(N)=O ZINC001378129223 921919791 /nfs/dbraw/zinc/91/97/91/921919791.db2.gz IFMYUSINHAJUNY-ZCFIWIBFSA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@H](CNC(=O)c1n[nH]cc1F)[N@@H+](C)CC(=O)NC(N)=O ZINC001378129223 921919805 /nfs/dbraw/zinc/91/98/05/921919805.db2.gz IFMYUSINHAJUNY-ZCFIWIBFSA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)CCCS(C)(=O)=O ZINC001378121157 921920306 /nfs/dbraw/zinc/92/03/06/921920306.db2.gz BOCBRGQSOZKEGX-VHSXEESVSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378121157 921920323 /nfs/dbraw/zinc/92/03/23/921920323.db2.gz BOCBRGQSOZKEGX-VHSXEESVSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378121676 921920552 /nfs/dbraw/zinc/92/05/52/921920552.db2.gz KPBWZARBBCDYPQ-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001378141259 921921484 /nfs/dbraw/zinc/92/14/84/921921484.db2.gz BIPWXUCYDKDLDS-CMPLNLGQSA-N 1 1 314.386 -1.848 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001378140427 921922688 /nfs/dbraw/zinc/92/26/88/921922688.db2.gz BTWVCSDIXJUCMY-QWRGUYRKSA-N 1 1 314.386 -1.502 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001378140427 921922699 /nfs/dbraw/zinc/92/26/99/921922699.db2.gz BTWVCSDIXJUCMY-QWRGUYRKSA-N 1 1 314.386 -1.502 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CCO ZINC001378151502 921922807 /nfs/dbraw/zinc/92/28/07/921922807.db2.gz IRUGVZHGJISICW-JTQLQIEISA-N 1 1 308.342 -1.680 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)CCn1cncn1 ZINC001378134932 921923870 /nfs/dbraw/zinc/92/38/70/921923870.db2.gz AQZCAMUDDXTBLU-GRYCIOLGSA-N 1 1 324.385 -1.253 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001378136298 921924361 /nfs/dbraw/zinc/92/43/61/921924361.db2.gz PVAGXBKZJFUVRT-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001378136298 921924368 /nfs/dbraw/zinc/92/43/68/921924368.db2.gz PVAGXBKZJFUVRT-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001378173322 921925262 /nfs/dbraw/zinc/92/52/62/921925262.db2.gz BMCRQDPSBDORNQ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001378173322 921925272 /nfs/dbraw/zinc/92/52/72/921925272.db2.gz BMCRQDPSBDORNQ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001378160468 921925735 /nfs/dbraw/zinc/92/57/35/921925735.db2.gz MAZJFEXTHXVKLJ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001378179920 921925939 /nfs/dbraw/zinc/92/59/39/921925939.db2.gz KNQTZAWWZYYXNA-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001378160479 921925985 /nfs/dbraw/zinc/92/59/85/921925985.db2.gz MAZJFEXTHXVKLJ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378184535 921927057 /nfs/dbraw/zinc/92/70/57/921927057.db2.gz OXDIRIZINCUZRB-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378184535 921927069 /nfs/dbraw/zinc/92/70/69/921927069.db2.gz OXDIRIZINCUZRB-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)CN1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182802 921927614 /nfs/dbraw/zinc/92/76/14/921927614.db2.gz NEFRBCCBAQKTCQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378171319 921928779 /nfs/dbraw/zinc/92/87/79/921928779.db2.gz RNDMCUZCZGDMBG-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)cn1 ZINC001378190821 921928814 /nfs/dbraw/zinc/92/88/14/921928814.db2.gz QSWJMUDDXOUMBH-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)cn1 ZINC001378190821 921928829 /nfs/dbraw/zinc/92/88/29/921928829.db2.gz QSWJMUDDXOUMBH-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)[C@H]1CCNC1=O ZINC001378209358 921929859 /nfs/dbraw/zinc/92/98/59/921929859.db2.gz YTWYTNNTVDYDJW-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001378214200 921930698 /nfs/dbraw/zinc/93/06/98/921930698.db2.gz OFHUWVUIBKULGO-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001378214200 921930708 /nfs/dbraw/zinc/93/07/08/921930708.db2.gz OFHUWVUIBKULGO-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001378219644 921931061 /nfs/dbraw/zinc/93/10/61/921931061.db2.gz RNESFJHZIAAGFQ-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001378194066 921932168 /nfs/dbraw/zinc/93/21/68/921932168.db2.gz AQDYJQRWSLBJQZ-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378209353 921932602 /nfs/dbraw/zinc/93/26/02/921932602.db2.gz YTWYTNNTVDYDJW-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244443 921935542 /nfs/dbraw/zinc/93/55/42/921935542.db2.gz YKGHULOUAGAMQT-NXEZZACHSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244443 921935553 /nfs/dbraw/zinc/93/55/53/921935553.db2.gz YKGHULOUAGAMQT-NXEZZACHSA-N 1 1 311.386 -1.092 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001378223087 921935810 /nfs/dbraw/zinc/93/58/10/921935810.db2.gz AEAZLXDYOZEWIH-VHSXEESVSA-N 1 1 310.358 -1.097 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001378274629 921941485 /nfs/dbraw/zinc/94/14/85/921941485.db2.gz MHDBXPJKXJIQSG-NWDGAFQWSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001378273724 921942141 /nfs/dbraw/zinc/94/21/41/921942141.db2.gz ZTWWVZFXHRDIRF-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001378287320 921943347 /nfs/dbraw/zinc/94/33/47/921943347.db2.gz QZCFVDPVZHHBAW-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001378286573 921943595 /nfs/dbraw/zinc/94/35/95/921943595.db2.gz QIXUFYFYPNSRAM-LBPRGKRZSA-N 1 1 312.414 -1.103 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378289858 921944535 /nfs/dbraw/zinc/94/45/35/921944535.db2.gz MFYRUOMGPMGOHL-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)CC)C1 ZINC001378307971 921948194 /nfs/dbraw/zinc/94/81/94/921948194.db2.gz UBHBHMZXOVYEQM-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](C[C@@H]3CCOC3)C2)n1 ZINC001378321035 921951682 /nfs/dbraw/zinc/95/16/82/921951682.db2.gz LSIUADRCFOFVEE-JTQLQIEISA-N 1 1 310.358 -1.587 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC001378440981 921965355 /nfs/dbraw/zinc/96/53/55/921965355.db2.gz JIFJVCKTLYGJHK-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001378509879 921971716 /nfs/dbraw/zinc/97/17/16/921971716.db2.gz SGJAEZVXFKYWOY-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378569681 921978236 /nfs/dbraw/zinc/97/82/36/921978236.db2.gz LTTKBBBGQOHJMC-NXEZZACHSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001378604542 921980777 /nfs/dbraw/zinc/98/07/77/921980777.db2.gz KVNXIRALINQRPJ-AXFHLTTASA-N 1 1 323.401 -1.046 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001378588033 921982569 /nfs/dbraw/zinc/98/25/69/921982569.db2.gz IOJOPIAYGBQJKT-ZYHUDNBSSA-N 1 1 306.370 -1.055 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001378652688 921986575 /nfs/dbraw/zinc/98/65/75/921986575.db2.gz MOQLLBMPGDBSMB-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001378652688 921986584 /nfs/dbraw/zinc/98/65/84/921986584.db2.gz MOQLLBMPGDBSMB-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC001378654136 921987942 /nfs/dbraw/zinc/98/79/42/921987942.db2.gz PVUWZVKUVVGXMR-NSHDSACASA-N 1 1 322.369 -1.396 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001378652690 921988387 /nfs/dbraw/zinc/98/83/87/921988387.db2.gz MOQLLBMPGDBSMB-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001378652690 921988397 /nfs/dbraw/zinc/98/83/97/921988397.db2.gz MOQLLBMPGDBSMB-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC001378655101 921988424 /nfs/dbraw/zinc/98/84/24/921988424.db2.gz HDTSPWDILNXEAD-ZDUSSCGKSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001378647067 921988472 /nfs/dbraw/zinc/98/84/72/921988472.db2.gz BCJJVPJOKAESJQ-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)CC1(C)C ZINC001378655284 921988825 /nfs/dbraw/zinc/98/88/25/921988825.db2.gz YIYWGHIAWCLNRA-SNVBAGLBSA-N 1 1 322.431 -1.751 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664854 921989726 /nfs/dbraw/zinc/98/97/26/921989726.db2.gz PTPIJGMUVAGKJM-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664854 921989739 /nfs/dbraw/zinc/98/97/39/921989739.db2.gz PTPIJGMUVAGKJM-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001378660062 921991110 /nfs/dbraw/zinc/99/11/10/921991110.db2.gz UZBWXHFMMGJHKA-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001378660062 921991120 /nfs/dbraw/zinc/99/11/20/921991120.db2.gz UZBWXHFMMGJHKA-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001378685978 921994736 /nfs/dbraw/zinc/99/47/36/921994736.db2.gz KNIUSGQAUYSJNA-XWLWVQCSSA-N 1 1 312.370 -1.242 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001378677649 921995783 /nfs/dbraw/zinc/99/57/83/921995783.db2.gz JFNQOUWNSAJLMD-QWRGUYRKSA-N 1 1 316.402 -1.121 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001378692150 921996536 /nfs/dbraw/zinc/99/65/36/921996536.db2.gz GQKBUDNYGLCIPL-RVMXOQNASA-N 1 1 318.381 -1.149 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CCNC(N)=O)CC1 ZINC001378698073 921997217 /nfs/dbraw/zinc/99/72/17/921997217.db2.gz FZSGBUOEJWRBGF-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001378702457 921997360 /nfs/dbraw/zinc/99/73/60/921997360.db2.gz VGFRGGKZMSQZGV-SECBINFHSA-N 1 1 307.358 -1.317 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC3(O)CCC3)[C@@H]2C1 ZINC001378690605 921997498 /nfs/dbraw/zinc/99/74/98/921997498.db2.gz IZNWVIRZXMMTKR-RTCCRHLQSA-N 1 1 324.381 -1.220 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001378701312 921997626 /nfs/dbraw/zinc/99/76/26/921997626.db2.gz ZEWOMLDBCAULKA-CNDDSTCGSA-N 1 1 321.385 -1.507 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378690516 921997775 /nfs/dbraw/zinc/99/77/75/921997775.db2.gz TUVMNBBIEBAVQA-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378690516 921997798 /nfs/dbraw/zinc/99/77/98/921997798.db2.gz TUVMNBBIEBAVQA-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cnnn2)n1 ZINC001378737376 921999969 /nfs/dbraw/zinc/99/99/69/921999969.db2.gz VXNHHWCUPWKQMP-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001378723844 922000170 /nfs/dbraw/zinc/00/01/70/922000170.db2.gz BQARKGRVZJJKSC-RTCCRHLQSA-N 1 1 304.416 -1.304 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cnnn2)n1 ZINC001378737375 922000461 /nfs/dbraw/zinc/00/04/61/922000461.db2.gz VXNHHWCUPWKQMP-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001378708403 922000514 /nfs/dbraw/zinc/00/05/14/922000514.db2.gz VENHQHMCMITZKH-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001378725058 922000637 /nfs/dbraw/zinc/00/06/37/922000637.db2.gz FEBQQYRXKDYCME-ZSOGYDGISA-N 1 1 324.425 -1.251 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001378744430 922001355 /nfs/dbraw/zinc/00/13/55/922001355.db2.gz IEBDCEBEUJPUMB-ZDEQEGDKSA-N 1 1 309.370 -1.421 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cnnn3)C[C@H]2C1 ZINC001378783001 922005755 /nfs/dbraw/zinc/00/57/55/922005755.db2.gz LLFDNAGGISULSC-SDDRHHMPSA-N 1 1 321.385 -1.235 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ncnn2C)C1 ZINC001378770278 922007115 /nfs/dbraw/zinc/00/71/15/922007115.db2.gz RCNFDEWDMKWYEP-PWSUYJOCSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001378782123 922007379 /nfs/dbraw/zinc/00/73/79/922007379.db2.gz DABKOVHMNHFCPT-RKDXNWHRSA-N 1 1 318.403 -1.420 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)CCNC(N)=O)CC2)C1 ZINC001378815996 922013422 /nfs/dbraw/zinc/01/34/22/922013422.db2.gz MRJACOIADVAAAT-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001378821981 922013831 /nfs/dbraw/zinc/01/38/31/922013831.db2.gz LJPNGJGTLDBFDX-APPZFPTMSA-N 1 1 324.341 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001378914947 922018747 /nfs/dbraw/zinc/01/87/47/922018747.db2.gz VBJQJZRQWCHIIX-UWVGGRQHSA-N 1 1 324.389 -1.534 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)Cn2ncnn2)C1=O ZINC001379045589 922025861 /nfs/dbraw/zinc/02/58/61/922025861.db2.gz XAQCOTVVSWDMTD-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)Cn2ncnn2)C1=O ZINC001379045589 922025875 /nfs/dbraw/zinc/02/58/75/922025875.db2.gz XAQCOTVVSWDMTD-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001379060077 922030573 /nfs/dbraw/zinc/03/05/73/922030573.db2.gz BLONTUGHFAJPEG-NSHDSACASA-N 1 1 312.370 -1.209 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001379077078 922031427 /nfs/dbraw/zinc/03/14/27/922031427.db2.gz AVLPGPMPEYOCBI-VIFPVBQESA-N 1 1 315.374 -2.497 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001379077078 922031442 /nfs/dbraw/zinc/03/14/42/922031442.db2.gz AVLPGPMPEYOCBI-VIFPVBQESA-N 1 1 315.374 -2.497 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379096839 922032311 /nfs/dbraw/zinc/03/23/11/922032311.db2.gz XRZJDUQCGBLWDB-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379096839 922032324 /nfs/dbraw/zinc/03/23/24/922032324.db2.gz XRZJDUQCGBLWDB-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1nnnn1C ZINC001379090745 922032570 /nfs/dbraw/zinc/03/25/70/922032570.db2.gz FNISUSFGQUHSML-QMMMGPOBSA-N 1 1 307.362 -1.224 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001379085395 922032598 /nfs/dbraw/zinc/03/25/98/922032598.db2.gz QQCYMZUJHCQTNF-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001379082600 922034275 /nfs/dbraw/zinc/03/42/75/922034275.db2.gz IXKLJZAPTCGHML-RKDXNWHRSA-N 1 1 313.358 -1.917 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001379082600 922034292 /nfs/dbraw/zinc/03/42/92/922034292.db2.gz IXKLJZAPTCGHML-RKDXNWHRSA-N 1 1 313.358 -1.917 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379098295 922035082 /nfs/dbraw/zinc/03/50/82/922035082.db2.gz HVFGRKHWHCMACJ-NXEZZACHSA-N 1 1 318.374 -1.379 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379098295 922035098 /nfs/dbraw/zinc/03/50/98/922035098.db2.gz HVFGRKHWHCMACJ-NXEZZACHSA-N 1 1 318.374 -1.379 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001379127639 922036284 /nfs/dbraw/zinc/03/62/84/922036284.db2.gz CNTZIMITZSUKDT-VIFPVBQESA-N 1 1 322.369 -1.157 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001379127639 922036301 /nfs/dbraw/zinc/03/63/01/922036301.db2.gz CNTZIMITZSUKDT-VIFPVBQESA-N 1 1 322.369 -1.157 20 0 DAADMO CN(CCNS(C)(=O)=O)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379135412 922037580 /nfs/dbraw/zinc/03/75/80/922037580.db2.gz YVTQPUADSWFIGO-GFCCVEGCSA-N 1 1 320.459 -1.123 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cnccc1=O ZINC001379120173 922038301 /nfs/dbraw/zinc/03/83/01/922038301.db2.gz RTNFVOFWOJZUOZ-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cnccc1=O ZINC001379120173 922038311 /nfs/dbraw/zinc/03/83/11/922038311.db2.gz RTNFVOFWOJZUOZ-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(CCNS(C)(=O)=O)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379135422 922039058 /nfs/dbraw/zinc/03/90/58/922039058.db2.gz YVTQPUADSWFIGO-LBPRGKRZSA-N 1 1 320.459 -1.123 20 0 DAADMO C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1nnnn1C ZINC001379119362 922039188 /nfs/dbraw/zinc/03/91/88/922039188.db2.gz LDPQOLNOFJSEEN-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001379142886 922040701 /nfs/dbraw/zinc/04/07/01/922040701.db2.gz FMSCNCSIDFLRJK-VIFPVBQESA-N 1 1 315.374 -1.384 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001379142886 922040709 /nfs/dbraw/zinc/04/07/09/922040709.db2.gz FMSCNCSIDFLRJK-VIFPVBQESA-N 1 1 315.374 -1.384 20 0 DAADMO COCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001379156776 922040958 /nfs/dbraw/zinc/04/09/58/922040958.db2.gz DPSQRAUOFVCEJB-LBPRGKRZSA-N 1 1 320.353 -1.125 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001379142885 922041392 /nfs/dbraw/zinc/04/13/92/922041392.db2.gz FMSCNCSIDFLRJK-SECBINFHSA-N 1 1 315.374 -1.384 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001379142885 922041407 /nfs/dbraw/zinc/04/14/07/922041407.db2.gz FMSCNCSIDFLRJK-SECBINFHSA-N 1 1 315.374 -1.384 20 0 DAADMO COCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1-c1ccccc1 ZINC001379156771 922042520 /nfs/dbraw/zinc/04/25/20/922042520.db2.gz DPSQRAUOFVCEJB-GFCCVEGCSA-N 1 1 320.353 -1.125 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001379151143 922042811 /nfs/dbraw/zinc/04/28/11/922042811.db2.gz OUZDZFCIXMEFSP-GHMZBOCLSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379165556 922043833 /nfs/dbraw/zinc/04/38/33/922043833.db2.gz DEWCHLIMZLYLCR-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001379163733 922044180 /nfs/dbraw/zinc/04/41/80/922044180.db2.gz MXERXUCKKYYYLG-VIFPVBQESA-N 1 1 321.341 -1.326 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)[nH]n1 ZINC001379166075 922044467 /nfs/dbraw/zinc/04/44/67/922044467.db2.gz IPKRKKHVORMEQE-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001379162648 922045393 /nfs/dbraw/zinc/04/53/93/922045393.db2.gz MGBYWSUEBILVDU-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001379170595 922047147 /nfs/dbraw/zinc/04/71/47/922047147.db2.gz MCILUKLBGAFINP-NXEZZACHSA-N 1 1 313.358 -1.590 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cccn1C)c1nnnn1C ZINC001379170833 922047655 /nfs/dbraw/zinc/04/76/55/922047655.db2.gz OLRFVGZAFRFHGU-NXEZZACHSA-N 1 1 307.358 -1.010 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379170177 922047763 /nfs/dbraw/zinc/04/77/63/922047763.db2.gz REMZWSBHELONRB-NXEZZACHSA-N 1 1 310.358 -1.857 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001379167823 922049138 /nfs/dbraw/zinc/04/91/38/922049138.db2.gz QRMTXBDEHILLDW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001379182537 922051702 /nfs/dbraw/zinc/05/17/02/922051702.db2.gz ORCULMGMBBJPNI-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001379182537 922051714 /nfs/dbraw/zinc/05/17/14/922051714.db2.gz ORCULMGMBBJPNI-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379174770 922052294 /nfs/dbraw/zinc/05/22/94/922052294.db2.gz YPIDBRPFUJNKRE-JTQLQIEISA-N 1 1 308.346 -2.247 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379180937 922052446 /nfs/dbraw/zinc/05/24/46/922052446.db2.gz ZHCHZERSMPPKDY-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]1 ZINC001379182837 922052554 /nfs/dbraw/zinc/05/25/54/922052554.db2.gz GJWKLDWGMXQPOD-CBAPKCEASA-N 1 1 308.346 -1.317 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001379178561 922052692 /nfs/dbraw/zinc/05/26/92/922052692.db2.gz ZUEHMODJXDCOOE-RYUDHWBXSA-N 1 1 319.427 -1.030 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CCn1cncn1 ZINC001379176275 922053354 /nfs/dbraw/zinc/05/33/54/922053354.db2.gz VDBGGERFPMVONY-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001379184839 922056216 /nfs/dbraw/zinc/05/62/16/922056216.db2.gz DXZIJPKJDNUIPD-QWRGUYRKSA-N 1 1 312.374 -1.264 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001379194310 922056447 /nfs/dbraw/zinc/05/64/47/922056447.db2.gz BJQVFTMQTXITGG-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c1)c1nnnn1C ZINC001379190477 922057673 /nfs/dbraw/zinc/05/76/73/922057673.db2.gz QGSWGIIXPZMEKW-MWLCHTKSSA-N 1 1 307.358 -1.010 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001379183647 922057707 /nfs/dbraw/zinc/05/77/07/922057707.db2.gz QCXVZTASALFFEC-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1 ZINC001379198819 922062745 /nfs/dbraw/zinc/06/27/45/922062745.db2.gz GETMHVBTVNBZJY-JTQLQIEISA-N 1 1 306.330 -1.811 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ncc[nH]1 ZINC001379200643 922064136 /nfs/dbraw/zinc/06/41/36/922064136.db2.gz YDKYTWZNCYVIAO-VIFPVBQESA-N 1 1 306.330 -1.388 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379203755 922067073 /nfs/dbraw/zinc/06/70/73/922067073.db2.gz GXTAHWIUAACCGS-LBPRGKRZSA-N 1 1 319.369 -1.277 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001379204478 922069177 /nfs/dbraw/zinc/06/91/77/922069177.db2.gz FKJUFIFZSFOGGP-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001379204440 922069324 /nfs/dbraw/zinc/06/93/24/922069324.db2.gz HWSWAGAEDNYQTG-VHSXEESVSA-N 1 1 311.342 -1.529 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1)c1nncn1C ZINC001379203295 922069538 /nfs/dbraw/zinc/06/95/38/922069538.db2.gz FRVXHWKMBQOLEI-PSASIEDQSA-N 1 1 321.341 -1.248 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)nn1 ZINC001379206447 922071589 /nfs/dbraw/zinc/07/15/89/922071589.db2.gz NIZBZRSKRQCBHW-PWSUYJOCSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)[nH]1 ZINC001379206358 922071672 /nfs/dbraw/zinc/07/16/72/922071672.db2.gz JFUGBMWZNMXKLH-ZJUUUORDSA-N 1 1 310.358 -1.794 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)nn1 ZINC001379206446 922072482 /nfs/dbraw/zinc/07/24/82/922072482.db2.gz NIZBZRSKRQCBHW-JQWIXIFHSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379206560 922073255 /nfs/dbraw/zinc/07/32/55/922073255.db2.gz OUHHEGQHTZPJNC-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379210188 922077756 /nfs/dbraw/zinc/07/77/56/922077756.db2.gz UETRDOOCIAQHFW-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379216995 922078520 /nfs/dbraw/zinc/07/85/20/922078520.db2.gz IRKJEHAPWQLKRQ-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nc1 ZINC001379213545 922079179 /nfs/dbraw/zinc/07/91/79/922079179.db2.gz CZNHWBWYAOEEMP-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379226112 922083067 /nfs/dbraw/zinc/08/30/67/922083067.db2.gz JTQVEUJRXJJUMZ-RNCFNFMXSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001379226214 922083256 /nfs/dbraw/zinc/08/32/56/922083256.db2.gz KYJYMDOUZSMNGJ-QMMMGPOBSA-N 1 1 309.330 -1.865 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001379225140 922083385 /nfs/dbraw/zinc/08/33/85/922083385.db2.gz DDERIMLMIJOMGW-WDEREUQCSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)no1 ZINC001379220828 922083453 /nfs/dbraw/zinc/08/34/53/922083453.db2.gz JOTSYVFMDNNDCP-GXSJLCMTSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001379231528 922085528 /nfs/dbraw/zinc/08/55/28/922085528.db2.gz VSYNHIIYXHAZGH-LLVKDONJSA-N 1 1 322.373 -1.710 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)nc1 ZINC001379229121 922087357 /nfs/dbraw/zinc/08/73/57/922087357.db2.gz OQUXRYBKPSNVII-WDEREUQCSA-N 1 1 309.370 -1.137 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001379228414 922087387 /nfs/dbraw/zinc/08/73/87/922087387.db2.gz YHQQZHIMHPRKJL-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)nn1 ZINC001379233813 922088112 /nfs/dbraw/zinc/08/81/12/922088112.db2.gz RENDGQCIBPVDPL-JTQLQIEISA-N 1 1 321.341 -1.738 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379244456 922091842 /nfs/dbraw/zinc/09/18/42/922091842.db2.gz MMWZQRFNSFBZDH-MEWQQHAOSA-N 1 1 322.369 -1.533 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379240236 922092815 /nfs/dbraw/zinc/09/28/15/922092815.db2.gz CWSWRCBUQNNFCJ-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)c1=O ZINC001379239341 922093746 /nfs/dbraw/zinc/09/37/46/922093746.db2.gz WGIXMPNHNKQPOE-LLVKDONJSA-N 1 1 324.341 -1.773 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379240938 922094748 /nfs/dbraw/zinc/09/47/48/922094748.db2.gz LUPXQLDYCSBLDO-MRVPVSSYSA-N 1 1 310.314 -1.302 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CCC(=O)N1 ZINC001379245679 922095399 /nfs/dbraw/zinc/09/53/99/922095399.db2.gz YNCGFJKAOICISE-UFBFGSQYSA-N 1 1 313.383 -1.227 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)cn1 ZINC001379245790 922098299 /nfs/dbraw/zinc/09/82/99/922098299.db2.gz IARIMCAKZXIASS-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)cn1 ZINC001379245790 922098321 /nfs/dbraw/zinc/09/83/21/922098321.db2.gz IARIMCAKZXIASS-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001379250730 922098754 /nfs/dbraw/zinc/09/87/54/922098754.db2.gz XCLXUALMBWJZMT-YPMHNXCESA-N 1 1 323.397 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001379252326 922099673 /nfs/dbraw/zinc/09/96/73/922099673.db2.gz WDQWNBMPFCPHCG-GFCCVEGCSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001379252326 922099682 /nfs/dbraw/zinc/09/96/82/922099682.db2.gz WDQWNBMPFCPHCG-GFCCVEGCSA-N 1 1 324.385 -1.574 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2ncc[nH]2)n1 ZINC001379252289 922099808 /nfs/dbraw/zinc/09/98/08/922099808.db2.gz ANCRDCHZDBNTDH-LLVKDONJSA-N 1 1 307.358 -1.170 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cn[nH]c2)nn1 ZINC001379256867 922100337 /nfs/dbraw/zinc/10/03/37/922100337.db2.gz UUPUAIXBOAHEKP-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CCn2cnnn2)c(C)o1 ZINC001379254817 922100643 /nfs/dbraw/zinc/10/06/43/922100643.db2.gz FPIJGLNBUKPSPW-NSHDSACASA-N 1 1 323.357 -1.065 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2ncc[nH]2)nn1 ZINC001379254717 922100876 /nfs/dbraw/zinc/10/08/76/922100876.db2.gz FDWYHCIGXBWZEN-NSHDSACASA-N 1 1 307.358 -1.170 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccnn1 ZINC001379254804 922101322 /nfs/dbraw/zinc/10/13/22/922101322.db2.gz FNRIHWLUVKPZTJ-SNVBAGLBSA-N 1 1 320.357 -1.246 20 0 DAADMO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001379260715 922103845 /nfs/dbraw/zinc/10/38/45/922103845.db2.gz IAXGLEQJIQLGTC-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cccn(C)c2=O)nn1 ZINC001379262117 922104997 /nfs/dbraw/zinc/10/49/97/922104997.db2.gz WCUZKNBXDFNUMM-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)NCC1CCC1 ZINC001379262984 922106187 /nfs/dbraw/zinc/10/61/87/922106187.db2.gz PXYBZRHLARNBOW-JTQLQIEISA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)NCC1CCC1 ZINC001379262984 922106194 /nfs/dbraw/zinc/10/61/94/922106194.db2.gz PXYBZRHLARNBOW-JTQLQIEISA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)NC1CCCC1 ZINC001379268251 922108330 /nfs/dbraw/zinc/10/83/30/922108330.db2.gz XNRHANCHCWHGBD-SNVBAGLBSA-N 1 1 310.358 -1.456 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)NC1CCCC1 ZINC001379268251 922108338 /nfs/dbraw/zinc/10/83/38/922108338.db2.gz XNRHANCHCWHGBD-SNVBAGLBSA-N 1 1 310.358 -1.456 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001379270266 922108535 /nfs/dbraw/zinc/10/85/35/922108535.db2.gz ARZCINBWCRJSSV-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccncn1 ZINC001379266815 922108671 /nfs/dbraw/zinc/10/86/71/922108671.db2.gz VPRAVXQLNLGVGL-SNVBAGLBSA-N 1 1 318.341 -1.322 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCN1CCCC1=O ZINC001379281676 922110874 /nfs/dbraw/zinc/11/08/74/922110874.db2.gz FEMMCZWSBPAHEY-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379279419 922111069 /nfs/dbraw/zinc/11/10/69/922111069.db2.gz PJJXQDGHEMWDAB-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001379274801 922111956 /nfs/dbraw/zinc/11/19/56/922111956.db2.gz HOMYEAIFETUKKX-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001379289216 922116551 /nfs/dbraw/zinc/11/65/51/922116551.db2.gz NZGZFYGZVRQURE-QWRGUYRKSA-N 1 1 311.342 -1.216 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1 ZINC001379287363 922117210 /nfs/dbraw/zinc/11/72/10/922117210.db2.gz DKIYOWBFHTXCPK-NSHDSACASA-N 1 1 307.358 -1.239 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379294013 922120090 /nfs/dbraw/zinc/12/00/90/922120090.db2.gz PUGBGQWOBWXKRU-SECBINFHSA-N 1 1 319.387 -1.885 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)n(C)c1=O ZINC001379292728 922120479 /nfs/dbraw/zinc/12/04/79/922120479.db2.gz NLBDTCYKDSVSCS-SECBINFHSA-N 1 1 310.314 -2.013 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnon1 ZINC001379313252 922121790 /nfs/dbraw/zinc/12/17/90/922121790.db2.gz NSCVUXCRDNWABX-VIFPVBQESA-N 1 1 319.387 -1.103 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)CNC(N)=O)C1 ZINC001379321948 922123657 /nfs/dbraw/zinc/12/36/57/922123657.db2.gz VDAUFLSOAFFGAC-SNVBAGLBSA-N 1 1 313.358 -2.346 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CNC(N)=O)C1 ZINC001379321948 922123667 /nfs/dbraw/zinc/12/36/67/922123667.db2.gz VDAUFLSOAFFGAC-SNVBAGLBSA-N 1 1 313.358 -2.346 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CS(C)(=O)=O)n1 ZINC001379346304 922125946 /nfs/dbraw/zinc/12/59/46/922125946.db2.gz WREXMQTYDMLFTA-SECBINFHSA-N 1 1 303.388 -1.063 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001379344018 922126755 /nfs/dbraw/zinc/12/67/55/922126755.db2.gz KNHGYGLOPOFANT-SECBINFHSA-N 1 1 303.388 -1.063 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)CNC(N)=O)C1 ZINC001379340890 922127273 /nfs/dbraw/zinc/12/72/73/922127273.db2.gz FKCNYXZMZQFAMY-UHFFFAOYSA-N 1 1 308.342 -1.471 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001379366947 922136167 /nfs/dbraw/zinc/13/61/67/922136167.db2.gz XNPWXNUWZCKXAR-GXSJLCMTSA-N 1 1 312.374 -1.611 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379364211 922137332 /nfs/dbraw/zinc/13/73/32/922137332.db2.gz SOEAYFQVJYWQPS-GWCFXTLKSA-N 1 1 309.370 -1.124 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368446 922138830 /nfs/dbraw/zinc/13/88/30/922138830.db2.gz CAPBOVZGYJULDV-KGLIPLIRSA-N 1 1 308.382 -1.021 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368455 922139400 /nfs/dbraw/zinc/13/94/00/922139400.db2.gz CAPBOVZGYJULDV-UONOGXRCSA-N 1 1 308.382 -1.021 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001379376157 922142573 /nfs/dbraw/zinc/14/25/73/922142573.db2.gz SHFFXXUIQSLAGO-VHSXEESVSA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC001379378205 922142714 /nfs/dbraw/zinc/14/27/14/922142714.db2.gz YZGKDFFUULZGRR-KGLIPLIRSA-N 1 1 323.397 -1.318 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001379376159 922143344 /nfs/dbraw/zinc/14/33/44/922143344.db2.gz SHFFXXUIQSLAGO-ZJUUUORDSA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001379376155 922143858 /nfs/dbraw/zinc/14/38/58/922143858.db2.gz SHFFXXUIQSLAGO-UWVGGRQHSA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001379375950 922144700 /nfs/dbraw/zinc/14/47/00/922144700.db2.gz RZGZQQWJXGSJIA-OCCSQVGLSA-N 1 1 323.397 -1.318 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)CN1CCOCC1=O ZINC001379381362 922148831 /nfs/dbraw/zinc/14/88/31/922148831.db2.gz AYKKGSBQHPMVCQ-GHMZBOCLSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001379395444 922150262 /nfs/dbraw/zinc/15/02/62/922150262.db2.gz IUPSXTRLURHIIC-OPRDCNLKSA-N 1 1 315.374 -2.412 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001379395444 922150275 /nfs/dbraw/zinc/15/02/75/922150275.db2.gz IUPSXTRLURHIIC-OPRDCNLKSA-N 1 1 315.374 -2.412 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001379393942 922151756 /nfs/dbraw/zinc/15/17/56/922151756.db2.gz GEAABXKQEYXNKE-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1C ZINC001379407709 922158493 /nfs/dbraw/zinc/15/84/93/922158493.db2.gz NSJHHFLQXLZLAR-YPMHNXCESA-N 1 1 323.397 -1.226 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001379407730 922159479 /nfs/dbraw/zinc/15/94/79/922159479.db2.gz DBZADXKSXATGSK-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001379410959 922162040 /nfs/dbraw/zinc/16/20/40/922162040.db2.gz MDOHYFKYXAQDNJ-DGCLKSJQSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410959 922162051 /nfs/dbraw/zinc/16/20/51/922162051.db2.gz MDOHYFKYXAQDNJ-DGCLKSJQSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001379407838 922162824 /nfs/dbraw/zinc/16/28/24/922162824.db2.gz OUAFDBOYGKWYLJ-WDEREUQCSA-N 1 1 309.370 -1.535 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)n[nH]1 ZINC001379410062 922162904 /nfs/dbraw/zinc/16/29/04/922162904.db2.gz ZJIXWCRTYRDBSD-UWVGGRQHSA-N 1 1 310.358 -1.999 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)CNC(=O)NC)n1 ZINC001379414245 922163943 /nfs/dbraw/zinc/16/39/43/922163943.db2.gz RSPXQEITDKWKCZ-NSHDSACASA-N 1 1 312.374 -1.601 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001379422138 922164151 /nfs/dbraw/zinc/16/41/51/922164151.db2.gz NOCYSKGTCFKQAQ-HTQZYQBOSA-N 1 1 318.403 -1.355 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CCCS(N)(=O)=O ZINC001379421094 922164456 /nfs/dbraw/zinc/16/44/56/922164456.db2.gz WYZKUTDSDOKDAC-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379427561 922167690 /nfs/dbraw/zinc/16/76/90/922167690.db2.gz NAIXPEWLWFOYKU-APPZFPTMSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001379424915 922168029 /nfs/dbraw/zinc/16/80/29/922168029.db2.gz XJEWAOLQBMZHJP-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379426967 922169007 /nfs/dbraw/zinc/16/90/07/922169007.db2.gz GZFRSAJKVQKTMU-BDAKNGLRSA-N 1 1 323.357 -1.510 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001379428940 922170832 /nfs/dbraw/zinc/17/08/32/922170832.db2.gz WRJBKISDTHJAHU-VXGBXAGGSA-N 1 1 323.397 -1.145 20 0 DAADMO C[C@H](CNCc1nnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001379431773 922172125 /nfs/dbraw/zinc/17/21/25/922172125.db2.gz MAQWNBMCBLXXFW-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001379436447 922175639 /nfs/dbraw/zinc/17/56/39/922175639.db2.gz QNYXFLOOWDZDFY-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001379463914 922183394 /nfs/dbraw/zinc/18/33/94/922183394.db2.gz BFSKSWYEIVWNIU-RNCFNFMXSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001379464869 922184610 /nfs/dbraw/zinc/18/46/10/922184610.db2.gz LVDPWMSBLQTTQN-OUAUKWLOSA-N 1 1 312.370 -2.333 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001379471955 922189141 /nfs/dbraw/zinc/18/91/41/922189141.db2.gz XGXNWTAXLLKZRK-NSHDSACASA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379468250 922189300 /nfs/dbraw/zinc/18/93/00/922189300.db2.gz KEMMQKZVKNUWRY-SECBINFHSA-N 1 1 308.342 -1.260 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001379474610 922191701 /nfs/dbraw/zinc/19/17/01/922191701.db2.gz QDTICWNPOFMHBG-MWLCHTKSSA-N 1 1 310.358 -1.997 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001379474603 922193725 /nfs/dbraw/zinc/19/37/25/922193725.db2.gz QDTICWNPOFMHBG-GXSJLCMTSA-N 1 1 310.358 -1.997 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001379477996 922195546 /nfs/dbraw/zinc/19/55/46/922195546.db2.gz NJWKBPQUIJARKB-VHSXEESVSA-N 1 1 324.341 -2.267 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001379477972 922196812 /nfs/dbraw/zinc/19/68/12/922196812.db2.gz NJWKBPQUIJARKB-NXEZZACHSA-N 1 1 324.341 -2.267 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)nn1C ZINC001379495151 922198557 /nfs/dbraw/zinc/19/85/57/922198557.db2.gz DHDFZFPDOFXUSR-AAEUAGOBSA-N 1 1 323.397 -1.036 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)nn1C ZINC001379495156 922199615 /nfs/dbraw/zinc/19/96/15/922199615.db2.gz DHDFZFPDOFXUSR-DGCLKSJQSA-N 1 1 323.397 -1.036 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001379488017 922199981 /nfs/dbraw/zinc/19/99/81/922199981.db2.gz NFJRXACSFLDOCI-JGVFFNPUSA-N 1 1 304.376 -1.590 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379486817 922200176 /nfs/dbraw/zinc/20/01/76/922200176.db2.gz ZNVAFBSMFMFTCY-BDAKNGLRSA-N 1 1 324.341 -2.415 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1nonc1C ZINC001379506109 922207225 /nfs/dbraw/zinc/20/72/25/922207225.db2.gz PWAGBAHCNICCAJ-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001379504037 922208071 /nfs/dbraw/zinc/20/80/71/922208071.db2.gz RVONOXKMXYMFAS-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001379504037 922208084 /nfs/dbraw/zinc/20/80/84/922208084.db2.gz RVONOXKMXYMFAS-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379526711 922217474 /nfs/dbraw/zinc/21/74/74/922217474.db2.gz KNWKIPWQZZJSCW-NWDGAFQWSA-N 1 1 300.403 -1.471 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379526711 922217486 /nfs/dbraw/zinc/21/74/86/922217486.db2.gz KNWKIPWQZZJSCW-NWDGAFQWSA-N 1 1 300.403 -1.471 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379527537 922219150 /nfs/dbraw/zinc/21/91/50/922219150.db2.gz NPFUBRYUXHYKBF-OLZOCXBDSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379527537 922219130 /nfs/dbraw/zinc/21/91/30/922219130.db2.gz NPFUBRYUXHYKBF-OLZOCXBDSA-N 1 1 314.430 -1.223 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1C ZINC001379530120 922221690 /nfs/dbraw/zinc/22/16/90/922221690.db2.gz CRCGLFSWKPCQGX-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1ncn[nH]1 ZINC001379559039 922224105 /nfs/dbraw/zinc/22/41/05/922224105.db2.gz IOIVNCZQUFMOBS-IUCAKERBSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1nc[nH]n1 ZINC001379559039 922224118 /nfs/dbraw/zinc/22/41/18/922224118.db2.gz IOIVNCZQUFMOBS-IUCAKERBSA-N 1 1 301.372 -1.053 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001379540110 922225848 /nfs/dbraw/zinc/22/58/48/922225848.db2.gz DTHZVKXTCGVVLM-GXSJLCMTSA-N 1 1 309.374 -1.233 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001379546146 922226011 /nfs/dbraw/zinc/22/60/11/922226011.db2.gz ROUDXFTWBDPJAX-ZJUUUORDSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1c[nH]nn1 ZINC001379551333 922226149 /nfs/dbraw/zinc/22/61/49/922226149.db2.gz LKJYRGSZYNHJMA-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1cnn[nH]1 ZINC001379551333 922226160 /nfs/dbraw/zinc/22/61/60/922226160.db2.gz LKJYRGSZYNHJMA-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncn[nH]1 ZINC001379563832 922226672 /nfs/dbraw/zinc/22/66/72/922226672.db2.gz ZEKYQPDKPDOYAV-QMMMGPOBSA-N 1 1 309.330 -2.529 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1nc[nH]n1 ZINC001379563832 922226681 /nfs/dbraw/zinc/22/66/81/922226681.db2.gz ZEKYQPDKPDOYAV-QMMMGPOBSA-N 1 1 309.330 -2.529 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cn(C)nn1 ZINC001379596995 922231709 /nfs/dbraw/zinc/23/17/09/922231709.db2.gz HJRKROBIUJYJJN-VIFPVBQESA-N 1 1 307.362 -1.434 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001379595241 922231812 /nfs/dbraw/zinc/23/18/12/922231812.db2.gz QHRSNUXJGOANFL-ZETCQYMHSA-N 1 1 307.401 -1.318 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001379612169 922232074 /nfs/dbraw/zinc/23/20/74/922232074.db2.gz DAMGECVGFSVFGF-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001379612171 922233414 /nfs/dbraw/zinc/23/34/14/922233414.db2.gz DAMGECVGFSVFGF-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001379677062 922234539 /nfs/dbraw/zinc/23/45/39/922234539.db2.gz GJLPLONYLUZXPV-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001379677062 922234556 /nfs/dbraw/zinc/23/45/56/922234556.db2.gz GJLPLONYLUZXPV-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001379632925 922234807 /nfs/dbraw/zinc/23/48/07/922234807.db2.gz QARFVMXXYXMFFM-FIXISWKDSA-N 1 1 323.397 -1.083 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001379646456 922236574 /nfs/dbraw/zinc/23/65/74/922236574.db2.gz MXXSFNSXEBJKMB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001379646456 922236587 /nfs/dbraw/zinc/23/65/87/922236587.db2.gz MXXSFNSXEBJKMB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001379702965 922240111 /nfs/dbraw/zinc/24/01/11/922240111.db2.gz BYLRRJZQEYOLIH-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001379702965 922240120 /nfs/dbraw/zinc/24/01/20/922240120.db2.gz BYLRRJZQEYOLIH-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001379683868 922240151 /nfs/dbraw/zinc/24/01/51/922240151.db2.gz FTDVPWRPSZKNHX-NXEZZACHSA-N 1 1 324.389 -1.357 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001379710214 922241139 /nfs/dbraw/zinc/24/11/39/922241139.db2.gz LODBBJUDYVWKPO-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001379710214 922241147 /nfs/dbraw/zinc/24/11/47/922241147.db2.gz LODBBJUDYVWKPO-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001379705406 922241603 /nfs/dbraw/zinc/24/16/03/922241603.db2.gz UFVOSPAMCDFRMX-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001379705406 922241618 /nfs/dbraw/zinc/24/16/18/922241618.db2.gz UFVOSPAMCDFRMX-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379739238 922242096 /nfs/dbraw/zinc/24/20/96/922242096.db2.gz JUEUQCWACSOFRL-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379739238 922242109 /nfs/dbraw/zinc/24/21/09/922242109.db2.gz JUEUQCWACSOFRL-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cc[nH]n1 ZINC001379742592 922242965 /nfs/dbraw/zinc/24/29/65/922242965.db2.gz KCVKCPWIFZZWOF-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cnccn1 ZINC001379741538 922243801 /nfs/dbraw/zinc/24/38/01/922243801.db2.gz GICKFWQLXJOUGV-VIFPVBQESA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CNC(=O)C1CC1 ZINC001379743573 922244920 /nfs/dbraw/zinc/24/49/20/922244920.db2.gz MJNNTYNPHNUQBG-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CNC(=O)C1CC1 ZINC001379743572 922244927 /nfs/dbraw/zinc/24/49/27/922244927.db2.gz MJNNTYNPHNUQBG-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001379752990 922246718 /nfs/dbraw/zinc/24/67/18/922246718.db2.gz CMLHHLYWNXZICB-MRVPVSSYSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379752990 922246727 /nfs/dbraw/zinc/24/67/27/922246727.db2.gz CMLHHLYWNXZICB-MRVPVSSYSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001379745002 922246755 /nfs/dbraw/zinc/24/67/55/922246755.db2.gz LYZZSGFJEFXWRD-GFCCVEGCSA-N 1 1 309.370 -1.170 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746852 922247412 /nfs/dbraw/zinc/24/74/12/922247412.db2.gz YZAFNGWEKLRGQJ-BDAKNGLRSA-N 1 1 323.419 -2.307 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746852 922247422 /nfs/dbraw/zinc/24/74/22/922247422.db2.gz YZAFNGWEKLRGQJ-BDAKNGLRSA-N 1 1 323.419 -2.307 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379756844 922247864 /nfs/dbraw/zinc/24/78/64/922247864.db2.gz JKMIIESMJIJACA-UWVGGRQHSA-N 1 1 312.374 -1.487 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746854 922248998 /nfs/dbraw/zinc/24/89/98/922248998.db2.gz YZAFNGWEKLRGQJ-IUCAKERBSA-N 1 1 323.419 -2.307 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746854 922249013 /nfs/dbraw/zinc/24/90/13/922249013.db2.gz YZAFNGWEKLRGQJ-IUCAKERBSA-N 1 1 323.419 -2.307 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001379763103 922250266 /nfs/dbraw/zinc/25/02/66/922250266.db2.gz VJDRNPTWCHRKPC-NWDGAFQWSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760175 922250460 /nfs/dbraw/zinc/25/04/60/922250460.db2.gz PFLQVVIJOKCISG-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760175 922250506 /nfs/dbraw/zinc/25/05/06/922250506.db2.gz PFLQVVIJOKCISG-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760182 922251129 /nfs/dbraw/zinc/25/11/29/922251129.db2.gz PFLQVVIJOKCISG-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760182 922251137 /nfs/dbraw/zinc/25/11/37/922251137.db2.gz PFLQVVIJOKCISG-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001379761701 922251269 /nfs/dbraw/zinc/25/12/69/922251269.db2.gz SBOUNBBKCZNSDW-VHSXEESVSA-N 1 1 310.358 -1.699 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001379760736 922251708 /nfs/dbraw/zinc/25/17/08/922251708.db2.gz PUNKPXTXRSEUDT-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001379760736 922251720 /nfs/dbraw/zinc/25/17/20/922251720.db2.gz PUNKPXTXRSEUDT-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001379769510 922255363 /nfs/dbraw/zinc/25/53/63/922255363.db2.gz UPADUVBNVRFHGO-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001379774392 922257423 /nfs/dbraw/zinc/25/74/23/922257423.db2.gz VRQJSBCDRNEBMR-JQWIXIFHSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781565 922259650 /nfs/dbraw/zinc/25/96/50/922259650.db2.gz RZIWRLVPHFVCFT-BDAKNGLRSA-N 1 1 320.353 -1.486 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781565 922259665 /nfs/dbraw/zinc/25/96/65/922259665.db2.gz RZIWRLVPHFVCFT-BDAKNGLRSA-N 1 1 320.353 -1.486 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ncccc1O ZINC001379776513 922260395 /nfs/dbraw/zinc/26/03/95/922260395.db2.gz RTJFDUCUGAZQGI-JTQLQIEISA-N 1 1 310.354 -1.102 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001379786140 922262004 /nfs/dbraw/zinc/26/20/04/922262004.db2.gz CKHJGPJONQNTMI-VIFPVBQESA-N 1 1 323.357 -1.225 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CCn1cccn1 ZINC001379794722 922263881 /nfs/dbraw/zinc/26/38/81/922263881.db2.gz XDELWLXCJZHKHZ-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCn1cccn1 ZINC001379794725 922264236 /nfs/dbraw/zinc/26/42/36/922264236.db2.gz XDELWLXCJZHKHZ-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cncn1C)c1nnnn1C ZINC001379800395 922266927 /nfs/dbraw/zinc/26/69/27/922266927.db2.gz HFMHXPZARDKFFV-VHSXEESVSA-N 1 1 322.373 -1.273 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cncn1C)c1nnnn1C ZINC001379800390 922267567 /nfs/dbraw/zinc/26/75/67/922267567.db2.gz HFMHXPZARDKFFV-UWVGGRQHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379811303 922268872 /nfs/dbraw/zinc/26/88/72/922268872.db2.gz FUGNNALPDJVFMY-UXCLJVHYSA-N 1 1 310.358 -1.989 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnoc1 ZINC001379813152 922270397 /nfs/dbraw/zinc/27/03/97/922270397.db2.gz IFBIRMVABGSEQK-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001379825341 922271702 /nfs/dbraw/zinc/27/17/02/922271702.db2.gz WUMXSZFCFSWBNH-WDEREUQCSA-N 1 1 322.369 -1.625 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379817781 922272740 /nfs/dbraw/zinc/27/27/40/922272740.db2.gz BIQKVODCYXOJAJ-IUCAKERBSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1c[nH]c(=O)n1C ZINC001379819649 922273097 /nfs/dbraw/zinc/27/30/97/922273097.db2.gz CJTKLNVQJNGHFO-VIFPVBQESA-N 1 1 310.314 -1.269 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379825333 922273157 /nfs/dbraw/zinc/27/31/57/922273157.db2.gz WUMXSZFCFSWBNH-MNOVXSKESA-N 1 1 322.369 -1.625 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001379823844 922273740 /nfs/dbraw/zinc/27/37/40/922273740.db2.gz NLISGWDKWQKSSG-PSASIEDQSA-N 1 1 313.358 -1.202 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1c[nH]c(=O)n1C ZINC001379827514 922276664 /nfs/dbraw/zinc/27/66/64/922276664.db2.gz TWIYMENXKAOBKD-SNVBAGLBSA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)CCNC(N)=O ZINC001379855665 922278291 /nfs/dbraw/zinc/27/82/91/922278291.db2.gz CWFALLRDWFSSAH-QMMMGPOBSA-N 1 1 316.387 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)c1cnn(C)n1 ZINC001379847243 922278657 /nfs/dbraw/zinc/27/86/57/922278657.db2.gz YDUAQFNBKCLLQU-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001379855787 922279950 /nfs/dbraw/zinc/27/99/50/922279950.db2.gz RCKFDTOSUVSVMF-JTQLQIEISA-N 1 1 323.357 -1.342 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379854409 922281002 /nfs/dbraw/zinc/28/10/02/922281002.db2.gz PTHRLQDOTPMQNT-NSHDSACASA-N 1 1 323.357 -1.342 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001379858183 922281105 /nfs/dbraw/zinc/28/11/05/922281105.db2.gz JMRVVCDFJPMMIK-LLVKDONJSA-N 1 1 322.373 -1.501 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379866774 922284058 /nfs/dbraw/zinc/28/40/58/922284058.db2.gz YGSXXUMQEKTTPZ-KWQFWETISA-N 1 1 309.374 -1.144 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1cncn1 ZINC001379869704 922284897 /nfs/dbraw/zinc/28/48/97/922284897.db2.gz XFKYDTVCAWSURD-NSHDSACASA-N 1 1 308.346 -1.984 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CCNC(N)=O)no1 ZINC001379862188 922285327 /nfs/dbraw/zinc/28/53/27/922285327.db2.gz PDZMMGPARPERTD-NSHDSACASA-N 1 1 313.358 -1.050 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001379874415 922285841 /nfs/dbraw/zinc/28/58/41/922285841.db2.gz XGNRZBAEIGLZAV-ZETCQYMHSA-N 1 1 310.301 -1.542 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001379874415 922285858 /nfs/dbraw/zinc/28/58/58/922285858.db2.gz XGNRZBAEIGLZAV-ZETCQYMHSA-N 1 1 310.301 -1.542 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001379886343 922286558 /nfs/dbraw/zinc/28/65/58/922286558.db2.gz VFXYBKOFIOPIRI-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001379886343 922286577 /nfs/dbraw/zinc/28/65/77/922286577.db2.gz VFXYBKOFIOPIRI-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001379883176 922287168 /nfs/dbraw/zinc/28/71/68/922287168.db2.gz GCLJYEHVRNYPOW-LBPRGKRZSA-N 1 1 312.370 -1.645 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001379879422 922287682 /nfs/dbraw/zinc/28/76/82/922287682.db2.gz BWBPMBUYGJBQMF-VXGBXAGGSA-N 1 1 318.370 -1.367 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897669 922288680 /nfs/dbraw/zinc/28/86/80/922288680.db2.gz IUMUAXVXLDBSAD-RYUDHWBXSA-N 1 1 311.386 -1.231 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897669 922288698 /nfs/dbraw/zinc/28/86/98/922288698.db2.gz IUMUAXVXLDBSAD-RYUDHWBXSA-N 1 1 311.386 -1.231 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379885493 922288919 /nfs/dbraw/zinc/28/89/19/922288919.db2.gz KRXCTUCNVGQTTM-VIFPVBQESA-N 1 1 304.347 -2.031 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379885493 922288933 /nfs/dbraw/zinc/28/89/33/922288933.db2.gz KRXCTUCNVGQTTM-VIFPVBQESA-N 1 1 304.347 -2.031 20 0 DAADMO CCc1nc[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379871303 922289012 /nfs/dbraw/zinc/28/90/12/922289012.db2.gz HKVXESCGPCXRBJ-VIFPVBQESA-N 1 1 322.373 -1.282 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907693 922290213 /nfs/dbraw/zinc/29/02/13/922290213.db2.gz IZKBFTDHMGQYTC-JQWIXIFHSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907693 922290223 /nfs/dbraw/zinc/29/02/23/922290223.db2.gz IZKBFTDHMGQYTC-JQWIXIFHSA-N 1 1 316.402 -1.650 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001379917430 922290556 /nfs/dbraw/zinc/29/05/56/922290556.db2.gz UNJAIRGVWBJZCA-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379916208 922292450 /nfs/dbraw/zinc/29/24/50/922292450.db2.gz GPWPBYDGMNZWSO-VHSXEESVSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379916208 922292463 /nfs/dbraw/zinc/29/24/63/922292463.db2.gz GPWPBYDGMNZWSO-VHSXEESVSA-N 1 1 312.374 -1.464 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001379901713 922292584 /nfs/dbraw/zinc/29/25/84/922292584.db2.gz UDIZIKZSMGBCHB-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001379901713 922292596 /nfs/dbraw/zinc/29/25/96/922292596.db2.gz UDIZIKZSMGBCHB-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911182 922293222 /nfs/dbraw/zinc/29/32/22/922293222.db2.gz MWUNOWQLGNEYQB-VHSXEESVSA-N 1 1 324.385 -1.442 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911182 922293242 /nfs/dbraw/zinc/29/32/42/922293242.db2.gz MWUNOWQLGNEYQB-VHSXEESVSA-N 1 1 324.385 -1.442 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001379903188 922293305 /nfs/dbraw/zinc/29/33/05/922293305.db2.gz ZAFNJEPOWNHFTG-NEPJUHHUSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930035 922294400 /nfs/dbraw/zinc/29/44/00/922294400.db2.gz JRQBCNITYVUNQF-ZYHUDNBSSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930035 922294417 /nfs/dbraw/zinc/29/44/17/922294417.db2.gz JRQBCNITYVUNQF-ZYHUDNBSSA-N 1 1 324.381 -1.376 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001379925928 922294791 /nfs/dbraw/zinc/29/47/91/922294791.db2.gz SYZWESFUTNHJAO-JTQLQIEISA-N 1 1 313.358 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001379925928 922294802 /nfs/dbraw/zinc/29/48/02/922294802.db2.gz SYZWESFUTNHJAO-JTQLQIEISA-N 1 1 313.358 -1.582 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001379939777 922294905 /nfs/dbraw/zinc/29/49/05/922294905.db2.gz RFTOJVSINXTFSG-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001379939777 922294917 /nfs/dbraw/zinc/29/49/17/922294917.db2.gz RFTOJVSINXTFSG-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001379928523 922295045 /nfs/dbraw/zinc/29/50/45/922295045.db2.gz HBDFOXOVGKJNNM-QWRGUYRKSA-N 1 1 315.374 -2.286 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001379925220 922295417 /nfs/dbraw/zinc/29/54/17/922295417.db2.gz AKYICMKCZMYASH-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001379925220 922295431 /nfs/dbraw/zinc/29/54/31/922295431.db2.gz AKYICMKCZMYASH-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO COc1cnc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nc1 ZINC001379933978 922295686 /nfs/dbraw/zinc/29/56/86/922295686.db2.gz HZVJQRZDGXLWEU-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cnc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nc1 ZINC001379933978 922295697 /nfs/dbraw/zinc/29/56/97/922295697.db2.gz HZVJQRZDGXLWEU-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cncn1C ZINC001379935351 922295879 /nfs/dbraw/zinc/29/58/79/922295879.db2.gz KHFSWJJXPRCALJ-GHMZBOCLSA-N 1 1 309.370 -1.327 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001379925219 922296863 /nfs/dbraw/zinc/29/68/63/922296863.db2.gz AKYICMKCZMYASH-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001379925219 922296888 /nfs/dbraw/zinc/29/68/88/922296888.db2.gz AKYICMKCZMYASH-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001379925933 922297560 /nfs/dbraw/zinc/29/75/60/922297560.db2.gz SYZWESFUTNHJAO-SNVBAGLBSA-N 1 1 313.358 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001379925933 922297574 /nfs/dbraw/zinc/29/75/74/922297574.db2.gz SYZWESFUTNHJAO-SNVBAGLBSA-N 1 1 313.358 -1.582 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001379935122 922298355 /nfs/dbraw/zinc/29/83/55/922298355.db2.gz JVPJDKTVGAISNJ-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001379935122 922298369 /nfs/dbraw/zinc/29/83/69/922298369.db2.gz JVPJDKTVGAISNJ-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)Cn1ncn(C)c1=O ZINC001379927035 922298403 /nfs/dbraw/zinc/29/84/03/922298403.db2.gz DSVKYVSDTMSZIA-LLVKDONJSA-N 1 1 317.365 -1.308 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379957741 922299598 /nfs/dbraw/zinc/29/95/98/922299598.db2.gz CHZJAQKJVSKEOU-XQQFMLRXSA-N 1 1 323.397 -1.244 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2c1nnn2C ZINC001379955905 922299859 /nfs/dbraw/zinc/29/98/59/922299859.db2.gz ABMQOAQNPKNWBW-JTQLQIEISA-N 1 1 322.369 -1.280 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957327 922300696 /nfs/dbraw/zinc/30/06/96/922300696.db2.gz DIAJLFULJDUHTJ-YUMQZZPRSA-N 1 1 301.322 -1.213 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957327 922300713 /nfs/dbraw/zinc/30/07/13/922300713.db2.gz DIAJLFULJDUHTJ-YUMQZZPRSA-N 1 1 301.322 -1.213 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001379940585 922301464 /nfs/dbraw/zinc/30/14/64/922301464.db2.gz FEQQRLLGCXKOEE-ZJUUUORDSA-N 1 1 312.374 -1.258 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1nccn2ccnc12 ZINC001379956041 922302517 /nfs/dbraw/zinc/30/25/17/922302517.db2.gz AKONHPAVECBFIB-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1nccn2ccnc12 ZINC001379956041 922302533 /nfs/dbraw/zinc/30/25/33/922302533.db2.gz AKONHPAVECBFIB-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001379969523 922303331 /nfs/dbraw/zinc/30/33/31/922303331.db2.gz NWKQLIVVQVUKCL-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379967995 922304292 /nfs/dbraw/zinc/30/42/92/922304292.db2.gz POIQSRQJKXKBOE-XQQFMLRXSA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379967995 922304306 /nfs/dbraw/zinc/30/43/06/922304306.db2.gz POIQSRQJKXKBOE-XQQFMLRXSA-N 1 1 323.397 -1.207 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379969262 922304947 /nfs/dbraw/zinc/30/49/47/922304947.db2.gz PLTIRWKKDKCALU-HZSPNIEDSA-N 1 1 317.430 -1.161 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379969262 922304959 /nfs/dbraw/zinc/30/49/59/922304959.db2.gz PLTIRWKKDKCALU-HZSPNIEDSA-N 1 1 317.430 -1.161 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001379959908 922305892 /nfs/dbraw/zinc/30/58/92/922305892.db2.gz GXNZRDVCTHAJEV-NWDGAFQWSA-N 1 1 324.381 -1.228 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001379969508 922306823 /nfs/dbraw/zinc/30/68/23/922306823.db2.gz NOKKCQGGMHPELU-GHMZBOCLSA-N 1 1 317.357 -1.357 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001379976264 922309105 /nfs/dbraw/zinc/30/91/05/922309105.db2.gz WQTOLWGNYPUBNA-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001379976264 922309122 /nfs/dbraw/zinc/30/91/22/922309122.db2.gz WQTOLWGNYPUBNA-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@@H](C)C(N)=O ZINC001379972939 922309365 /nfs/dbraw/zinc/30/93/65/922309365.db2.gz PJCOOFDRVRNMPO-NWDGAFQWSA-N 1 1 302.419 -1.049 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379974454 922309874 /nfs/dbraw/zinc/30/98/74/922309874.db2.gz VSWOGOOLNIYKLR-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001379970092 922310165 /nfs/dbraw/zinc/31/01/65/922310165.db2.gz KTFFJNCDIMLJEP-CHWSQXEVSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001379970092 922310181 /nfs/dbraw/zinc/31/01/81/922310181.db2.gz KTFFJNCDIMLJEP-CHWSQXEVSA-N 1 1 314.430 -1.034 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001379972190 922310731 /nfs/dbraw/zinc/31/07/31/922310731.db2.gz GOECYTMLDYLSRZ-JQWIXIFHSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001379972190 922310748 /nfs/dbraw/zinc/31/07/48/922310748.db2.gz GOECYTMLDYLSRZ-JQWIXIFHSA-N 1 1 323.397 -1.249 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379974449 922310803 /nfs/dbraw/zinc/31/08/03/922310803.db2.gz VSWOGOOLNIYKLR-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001379985595 922313934 /nfs/dbraw/zinc/31/39/34/922313934.db2.gz XEVQSEJPGLWZBQ-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O)C1CCC1 ZINC001379983214 922315090 /nfs/dbraw/zinc/31/50/90/922315090.db2.gz MTDRJNSCJAZWFH-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001379985420 922315189 /nfs/dbraw/zinc/31/51/89/922315189.db2.gz QPQRWZNAKQLEKT-YPMHNXCESA-N 1 1 313.402 -1.120 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCCN1C(N)=O ZINC001379981824 922316087 /nfs/dbraw/zinc/31/60/87/922316087.db2.gz SBVNUFLMOXAAGQ-VXGBXAGGSA-N 1 1 316.402 -1.337 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001380029274 922316988 /nfs/dbraw/zinc/31/69/88/922316988.db2.gz GKQFJAXIPBOUKI-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001380029274 922316996 /nfs/dbraw/zinc/31/69/96/922316996.db2.gz GKQFJAXIPBOUKI-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380019730 922317051 /nfs/dbraw/zinc/31/70/51/922317051.db2.gz ZMODNKVZIVAAPC-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001380014298 922317549 /nfs/dbraw/zinc/31/75/49/922317549.db2.gz MMNNPAXMNZMRPH-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380019721 922317756 /nfs/dbraw/zinc/31/77/56/922317756.db2.gz ZMODNKVZIVAAPC-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001380012726 922318023 /nfs/dbraw/zinc/31/80/23/922318023.db2.gz DWTFXMRCBMERAD-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001380014291 922318360 /nfs/dbraw/zinc/31/83/60/922318360.db2.gz MMNNPAXMNZMRPH-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001380015971 922318648 /nfs/dbraw/zinc/31/86/48/922318648.db2.gz SXDLZTZXRAIICF-LLVKDONJSA-N 1 1 320.353 -1.536 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@H]1CC[N@@H+]1CCO ZINC001380015047 922319192 /nfs/dbraw/zinc/31/91/92/922319192.db2.gz RVIBBJKPFYSINW-SNVBAGLBSA-N 1 1 306.326 -1.926 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001380021811 922320324 /nfs/dbraw/zinc/32/03/24/922320324.db2.gz VYZJSUBZCZKXQX-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001380021811 922320337 /nfs/dbraw/zinc/32/03/37/922320337.db2.gz VYZJSUBZCZKXQX-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(C)(C)C ZINC001380078467 922322484 /nfs/dbraw/zinc/32/24/84/922322484.db2.gz KVZJPAIPYWWYEA-KXUCPTDWSA-N 1 1 323.401 -1.048 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)nn1 ZINC001380176098 922335968 /nfs/dbraw/zinc/33/59/68/922335968.db2.gz VZLZNXYRRLITTP-VIFPVBQESA-N 1 1 321.341 -1.848 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)CN2CCCC2)CC1)C(=O)NC(N)=O ZINC001380169133 922336685 /nfs/dbraw/zinc/33/66/85/922336685.db2.gz KZASFZARNBJRBQ-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001380228674 922339720 /nfs/dbraw/zinc/33/97/20/922339720.db2.gz QEYDSZGLPXFDMN-JTQLQIEISA-N 1 1 321.385 -1.163 20 0 DAADMO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1)S(C)(=O)=O ZINC001380206936 922341353 /nfs/dbraw/zinc/34/13/53/922341353.db2.gz DWOZFICIRIYPFZ-CYBMUJFWSA-N 1 1 319.427 -1.206 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001380252353 922343385 /nfs/dbraw/zinc/34/33/85/922343385.db2.gz RLHRLRXIMCWXFP-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(CC(=O)NC(N)=O)C2)C1 ZINC001380241318 922344389 /nfs/dbraw/zinc/34/43/89/922344389.db2.gz NKWKTPNKDLIRPD-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001380239811 922344440 /nfs/dbraw/zinc/34/44/40/922344440.db2.gz AQFSAWDPJGGRNJ-SNVBAGLBSA-N 1 1 322.431 -1.440 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)Cn2ncnn2)C1 ZINC001380273080 922345408 /nfs/dbraw/zinc/34/54/08/922345408.db2.gz OMCSBRZXSBTIRG-MCIGGMRASA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001380310698 922348895 /nfs/dbraw/zinc/34/88/95/922348895.db2.gz MWDNJCAUUCJXLP-UHFFFAOYSA-N 1 1 321.403 -2.504 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001380335415 922349812 /nfs/dbraw/zinc/34/98/12/922349812.db2.gz JBLVEDNTHZYJGW-GFCCVEGCSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001380335415 922349828 /nfs/dbraw/zinc/34/98/28/922349828.db2.gz JBLVEDNTHZYJGW-GFCCVEGCSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001380335416 922350227 /nfs/dbraw/zinc/35/02/27/922350227.db2.gz JBLVEDNTHZYJGW-LBPRGKRZSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001380335416 922350243 /nfs/dbraw/zinc/35/02/43/922350243.db2.gz JBLVEDNTHZYJGW-LBPRGKRZSA-N 1 1 324.345 -2.291 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001380306596 922350833 /nfs/dbraw/zinc/35/08/33/922350833.db2.gz VEGUCYWMHIORTA-LLVKDONJSA-N 1 1 323.397 -1.203 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001380306596 922350841 /nfs/dbraw/zinc/35/08/41/922350841.db2.gz VEGUCYWMHIORTA-LLVKDONJSA-N 1 1 323.397 -1.203 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001380341274 922351858 /nfs/dbraw/zinc/35/18/58/922351858.db2.gz YLTLHCLDKGVVCG-TZMCWYRMSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380351558 922352278 /nfs/dbraw/zinc/35/22/78/922352278.db2.gz FZYZTAIVEOVSQM-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380351558 922352294 /nfs/dbraw/zinc/35/22/94/922352294.db2.gz FZYZTAIVEOVSQM-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@]1(NC(=O)CCCS(N)(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001380357720 922352957 /nfs/dbraw/zinc/35/29/57/922352957.db2.gz NQNPEBSYSDYHHZ-LLVKDONJSA-N 1 1 306.388 -1.879 20 0 DAADMO C[C@@]1(NC(=O)CCCS(N)(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001380357720 922352965 /nfs/dbraw/zinc/35/29/65/922352965.db2.gz NQNPEBSYSDYHHZ-LLVKDONJSA-N 1 1 306.388 -1.879 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380340778 922353405 /nfs/dbraw/zinc/35/34/05/922353405.db2.gz GGRFOBQHGGTALW-CHWSQXEVSA-N 1 1 312.414 -1.291 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001380358178 922354084 /nfs/dbraw/zinc/35/40/84/922354084.db2.gz OXRINOSDRJEBQP-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380374137 922357242 /nfs/dbraw/zinc/35/72/42/922357242.db2.gz DONYXZZRYQOOJT-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380519106 922362838 /nfs/dbraw/zinc/36/28/38/922362838.db2.gz IECZYQXXADMJCL-YGRLFVJLSA-N 1 1 314.386 -1.848 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001380517359 922363347 /nfs/dbraw/zinc/36/33/47/922363347.db2.gz FFXYYKCGBMSWQR-CQSZACIVSA-N 1 1 315.370 -1.955 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001380517359 922363372 /nfs/dbraw/zinc/36/33/72/922363372.db2.gz FFXYYKCGBMSWQR-CQSZACIVSA-N 1 1 315.370 -1.955 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001380512427 922363985 /nfs/dbraw/zinc/36/39/85/922363985.db2.gz AOWFGONVVYSLHL-RISCZKNCSA-N 1 1 309.370 -1.429 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)ncn1 ZINC001380529228 922366173 /nfs/dbraw/zinc/36/61/73/922366173.db2.gz AJNXDERZAWLNGJ-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)ncn1 ZINC001380529228 922366185 /nfs/dbraw/zinc/36/61/85/922366185.db2.gz AJNXDERZAWLNGJ-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)COC(C)C)C1 ZINC001380520315 922366402 /nfs/dbraw/zinc/36/64/02/922366402.db2.gz XBPFOCOIKZVTIB-TZMCWYRMSA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380529368 922366441 /nfs/dbraw/zinc/36/64/41/922366441.db2.gz CNNIGLWIFAKMJP-TVQRCGJNSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380529368 922366454 /nfs/dbraw/zinc/36/64/54/922366454.db2.gz CNNIGLWIFAKMJP-TVQRCGJNSA-N 1 1 315.374 -2.316 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001380521652 922367267 /nfs/dbraw/zinc/36/72/67/922367267.db2.gz OTXHMNNSHZNLLP-IINYFYTJSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001380523676 922367420 /nfs/dbraw/zinc/36/74/20/922367420.db2.gz UZYFUOWKYRWTJT-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001380523676 922367429 /nfs/dbraw/zinc/36/74/29/922367429.db2.gz UZYFUOWKYRWTJT-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnnn3C)C2)C1=O ZINC001380529633 922367592 /nfs/dbraw/zinc/36/75/92/922367592.db2.gz DFHDVRWGSSQDKL-QMTHXVAHSA-N 1 1 322.369 -1.788 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380524649 922368249 /nfs/dbraw/zinc/36/82/49/922368249.db2.gz XTVSXBSBWYXXBS-ZDUSSCGKSA-N 1 1 324.341 -1.968 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380524649 922368262 /nfs/dbraw/zinc/36/82/62/922368262.db2.gz XTVSXBSBWYXXBS-ZDUSSCGKSA-N 1 1 324.341 -1.968 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380521235 922369147 /nfs/dbraw/zinc/36/91/47/922369147.db2.gz MINYEKSKWBCNPN-SMDDNHRTSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380521235 922369158 /nfs/dbraw/zinc/36/91/58/922369158.db2.gz MINYEKSKWBCNPN-SMDDNHRTSA-N 1 1 312.370 -2.094 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525922 922369683 /nfs/dbraw/zinc/36/96/83/922369683.db2.gz HPLCICCBQHZYFN-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525922 922369698 /nfs/dbraw/zinc/36/96/98/922369698.db2.gz HPLCICCBQHZYFN-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380531474 922369750 /nfs/dbraw/zinc/36/97/50/922369750.db2.gz FUXJYVVSWWETRG-PRHODGIISA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380531474 922369770 /nfs/dbraw/zinc/36/97/70/922369770.db2.gz FUXJYVVSWWETRG-PRHODGIISA-N 1 1 301.347 -2.658 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380539085 922370635 /nfs/dbraw/zinc/37/06/35/922370635.db2.gz ZXEZEPRMZOBIOV-HZMBPMFUSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380539085 922370647 /nfs/dbraw/zinc/37/06/47/922370647.db2.gz ZXEZEPRMZOBIOV-HZMBPMFUSA-N 1 1 322.369 -1.647 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001380537335 922370832 /nfs/dbraw/zinc/37/08/32/922370832.db2.gz HZBLRWGVOXGULL-CYBMUJFWSA-N 1 1 310.358 -1.660 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC001380532556 922371067 /nfs/dbraw/zinc/37/10/67/922371067.db2.gz MXUJQFFZHHDJBV-HZMBPMFUSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC001380532556 922371078 /nfs/dbraw/zinc/37/10/78/922371078.db2.gz MXUJQFFZHHDJBV-HZMBPMFUSA-N 1 1 310.354 -1.048 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001380538541 922371639 /nfs/dbraw/zinc/37/16/39/922371639.db2.gz SHOLUOKNHNNSES-CYBMUJFWSA-N 1 1 309.326 -2.073 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001380538541 922371655 /nfs/dbraw/zinc/37/16/55/922371655.db2.gz SHOLUOKNHNNSES-CYBMUJFWSA-N 1 1 309.326 -2.073 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380532852 922371704 /nfs/dbraw/zinc/37/17/04/922371704.db2.gz JPWJNPQLFYLJRP-ZWNOBZJWSA-N 1 1 323.357 -2.495 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380538423 922371916 /nfs/dbraw/zinc/37/19/16/922371916.db2.gz LJGBDROTRCLJED-AWEZNQCLSA-N 1 1 324.385 -1.743 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380538423 922371932 /nfs/dbraw/zinc/37/19/32/922371932.db2.gz LJGBDROTRCLJED-AWEZNQCLSA-N 1 1 324.385 -1.743 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380534120 922372132 /nfs/dbraw/zinc/37/21/32/922372132.db2.gz BCZRALCGBAUAOL-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(OC)no2)C1 ZINC001380534854 922372168 /nfs/dbraw/zinc/37/21/68/922372168.db2.gz FTGQSHBFXYMWIM-ZDUSSCGKSA-N 1 1 312.326 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(OC)no2)C1 ZINC001380534854 922372182 /nfs/dbraw/zinc/37/21/82/922372182.db2.gz FTGQSHBFXYMWIM-ZDUSSCGKSA-N 1 1 312.326 -1.404 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC001380532565 922372758 /nfs/dbraw/zinc/37/27/58/922372758.db2.gz MXUJQFFZHHDJBV-QMTHXVAHSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC001380532565 922372771 /nfs/dbraw/zinc/37/27/71/922372771.db2.gz MXUJQFFZHHDJBV-QMTHXVAHSA-N 1 1 310.354 -1.048 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3ccncc23)C1 ZINC001380533392 922373586 /nfs/dbraw/zinc/37/35/86/922373586.db2.gz JUYPQLQZMRXYDJ-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3ccncc23)C1 ZINC001380533392 922373599 /nfs/dbraw/zinc/37/35/99/922373599.db2.gz JUYPQLQZMRXYDJ-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380539602 922374347 /nfs/dbraw/zinc/37/43/47/922374347.db2.gz LRYALLVDWWPVFJ-NSHDSACASA-N 1 1 309.388 -2.529 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380539122 922374436 /nfs/dbraw/zinc/37/44/36/922374436.db2.gz ZXEZEPRMZOBIOV-QMTHXVAHSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380539122 922374455 /nfs/dbraw/zinc/37/44/55/922374455.db2.gz ZXEZEPRMZOBIOV-QMTHXVAHSA-N 1 1 322.369 -1.647 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001380542182 922376404 /nfs/dbraw/zinc/37/64/04/922376404.db2.gz DQTVAYIKDZCWKH-CYBMUJFWSA-N 1 1 310.358 -1.964 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001380542182 922376423 /nfs/dbraw/zinc/37/64/23/922376423.db2.gz DQTVAYIKDZCWKH-CYBMUJFWSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ncccn1 ZINC001380548208 922376543 /nfs/dbraw/zinc/37/65/43/922376543.db2.gz FEXPRFYDTSWWOF-NHYWBVRUSA-N 1 1 319.365 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001380541980 922376586 /nfs/dbraw/zinc/37/65/86/922376586.db2.gz IYAUIKKVYQCURO-UGFHNGPFSA-N 1 1 311.382 -1.016 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001380541980 922376603 /nfs/dbraw/zinc/37/66/03/922376603.db2.gz IYAUIKKVYQCURO-UGFHNGPFSA-N 1 1 311.382 -1.016 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001380545679 922376734 /nfs/dbraw/zinc/37/67/34/922376734.db2.gz UOLFAPOFAZUNBP-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001380545679 922376747 /nfs/dbraw/zinc/37/67/47/922376747.db2.gz UOLFAPOFAZUNBP-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1)N1CCC1 ZINC001380546980 922376773 /nfs/dbraw/zinc/37/67/73/922376773.db2.gz CMIDRISAUUUGHM-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1)N1CCC1 ZINC001380546980 922376786 /nfs/dbraw/zinc/37/67/86/922376786.db2.gz CMIDRISAUUUGHM-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380547833 922378407 /nfs/dbraw/zinc/37/84/07/922378407.db2.gz BKFGEDDYLVRTKQ-CYBMUJFWSA-N 1 1 320.357 -1.429 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nc1 ZINC001380546918 922378827 /nfs/dbraw/zinc/37/88/27/922378827.db2.gz YWSSXPZDYURMCA-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nc1 ZINC001380546918 922378835 /nfs/dbraw/zinc/37/88/35/922378835.db2.gz YWSSXPZDYURMCA-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001380547503 922379248 /nfs/dbraw/zinc/37/92/48/922379248.db2.gz ZUXAPQBZGDBOOC-PWSUYJOCSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001380547503 922379260 /nfs/dbraw/zinc/37/92/60/922379260.db2.gz ZUXAPQBZGDBOOC-PWSUYJOCSA-N 1 1 306.384 -2.034 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542943 922379336 /nfs/dbraw/zinc/37/93/36/922379336.db2.gz QRPAXLSGPGYSLN-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542943 922379352 /nfs/dbraw/zinc/37/93/52/922379352.db2.gz QRPAXLSGPGYSLN-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)c1=O ZINC001380542611 922379863 /nfs/dbraw/zinc/37/98/63/922379863.db2.gz FUFBSXLBVCNBCZ-CYBMUJFWSA-N 1 1 313.358 -2.483 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380541660 922379987 /nfs/dbraw/zinc/37/99/87/922379987.db2.gz YHDOFLQGSBMMLT-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001380552436 922380519 /nfs/dbraw/zinc/38/05/19/922380519.db2.gz KPFBSKYRKGJLSS-NSHDSACASA-N 1 1 324.403 -3.024 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001380550341 922380634 /nfs/dbraw/zinc/38/06/34/922380634.db2.gz ISKRWMCKWQULGY-ABAIWWIYSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380548919 922383131 /nfs/dbraw/zinc/38/31/31/922383131.db2.gz BXDSAOQJRMJLOJ-YGRLFVJLSA-N 1 1 322.369 -1.442 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001380552525 922383429 /nfs/dbraw/zinc/38/34/29/922383429.db2.gz WZVRQYHXTPSPKG-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001380552525 922383436 /nfs/dbraw/zinc/38/34/36/922383436.db2.gz WZVRQYHXTPSPKG-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N1CCOCC1 ZINC001380552674 922384789 /nfs/dbraw/zinc/38/47/89/922384789.db2.gz NCYQSAFXJYXYTR-HNNXBMFYSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001380549135 922384888 /nfs/dbraw/zinc/38/48/88/922384888.db2.gz BYEAYAVUXAQXLS-CQSZACIVSA-N 1 1 320.353 -1.536 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380548915 922385126 /nfs/dbraw/zinc/38/51/26/922385126.db2.gz BXDSAOQJRMJLOJ-QMTHXVAHSA-N 1 1 322.369 -1.442 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001380550748 922385204 /nfs/dbraw/zinc/38/52/04/922385204.db2.gz OMGSRFHITWRPSC-KGLIPLIRSA-N 1 1 317.361 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001380550748 922385221 /nfs/dbraw/zinc/38/52/21/922385221.db2.gz OMGSRFHITWRPSC-KGLIPLIRSA-N 1 1 317.361 -1.196 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380557905 922386157 /nfs/dbraw/zinc/38/61/57/922386157.db2.gz ZQCVLTAVEFAGEO-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557716 922386535 /nfs/dbraw/zinc/38/65/35/922386535.db2.gz QUAJASSAJPWALF-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557716 922386549 /nfs/dbraw/zinc/38/65/49/922386549.db2.gz QUAJASSAJPWALF-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001380557508 922386845 /nfs/dbraw/zinc/38/68/45/922386845.db2.gz YABRXRJQKBLWHS-BXKDBHETSA-N 1 1 300.315 -1.757 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380557484 922386937 /nfs/dbraw/zinc/38/69/37/922386937.db2.gz JTGCVYXQPPUHPT-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380557484 922386948 /nfs/dbraw/zinc/38/69/48/922386948.db2.gz JTGCVYXQPPUHPT-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cn1nnnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380555475 922387029 /nfs/dbraw/zinc/38/70/29/922387029.db2.gz PLXILEZXOOERGX-BXUZGUMPSA-N 1 1 323.401 -1.643 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001380555786 922388702 /nfs/dbraw/zinc/38/87/02/922388702.db2.gz OIZVKRDSQNWSTR-CMPLNLGQSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)NCC1CC1 ZINC001380557559 922388788 /nfs/dbraw/zinc/38/87/88/922388788.db2.gz YIKIGRPABYHVLP-CQSZACIVSA-N 1 1 323.353 -1.238 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)NCC1CC1 ZINC001380557559 922388803 /nfs/dbraw/zinc/38/88/03/922388803.db2.gz YIKIGRPABYHVLP-CQSZACIVSA-N 1 1 323.353 -1.238 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380555503 922388943 /nfs/dbraw/zinc/38/89/43/922388943.db2.gz QFZLPOXPMUSNMK-HZMBPMFUSA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380555503 922388962 /nfs/dbraw/zinc/38/89/62/922388962.db2.gz QFZLPOXPMUSNMK-HZMBPMFUSA-N 1 1 324.385 -1.620 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CC2CCC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380556915 922389236 /nfs/dbraw/zinc/38/92/36/922389236.db2.gz QHCJGECYSLEQNQ-XHDPSFHLSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380557906 922389768 /nfs/dbraw/zinc/38/97/68/922389768.db2.gz ZQCVLTAVEFAGEO-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557719 922390332 /nfs/dbraw/zinc/39/03/32/922390332.db2.gz QUAJASSAJPWALF-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557719 922390347 /nfs/dbraw/zinc/39/03/47/922390347.db2.gz QUAJASSAJPWALF-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3nonc3c2)C1 ZINC001380553898 922390381 /nfs/dbraw/zinc/39/03/81/922390381.db2.gz NYSLSSVQMZMRGS-CQSZACIVSA-N 1 1 319.321 -1.125 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nonc3c2)C1 ZINC001380553898 922390397 /nfs/dbraw/zinc/39/03/97/922390397.db2.gz NYSLSSVQMZMRGS-CQSZACIVSA-N 1 1 319.321 -1.125 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001380565017 922391621 /nfs/dbraw/zinc/39/16/21/922391621.db2.gz FPMSNWBDIBFWHI-RISCZKNCSA-N 1 1 309.370 -1.429 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380559611 922391724 /nfs/dbraw/zinc/39/17/24/922391724.db2.gz ZSZYOVPQHNZVMS-HZMBPMFUSA-N 1 1 310.354 -1.453 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380568367 922391897 /nfs/dbraw/zinc/39/18/97/922391897.db2.gz CAKKUGHXCDNPSX-TVQRCGJNSA-N 1 1 313.358 -2.514 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380568367 922391908 /nfs/dbraw/zinc/39/19/08/922391908.db2.gz CAKKUGHXCDNPSX-TVQRCGJNSA-N 1 1 313.358 -2.514 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001380560540 922392451 /nfs/dbraw/zinc/39/24/51/922392451.db2.gz WPPHKEWRFWLITP-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)ncc1C(N)=O ZINC001380560409 922392878 /nfs/dbraw/zinc/39/28/78/922392878.db2.gz WFLYRERGFKZFLW-OAHLLOKOSA-N 1 1 322.365 -1.352 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001380560536 922394684 /nfs/dbraw/zinc/39/46/84/922394684.db2.gz WPPHKEWRFWLITP-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572395 922395922 /nfs/dbraw/zinc/39/59/22/922395922.db2.gz MCRICZFEXNESDE-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572395 922395934 /nfs/dbraw/zinc/39/59/34/922395934.db2.gz MCRICZFEXNESDE-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO Cc1nc(C)c(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c(=O)[nH]1 ZINC001380573873 922396243 /nfs/dbraw/zinc/39/62/43/922396243.db2.gz ONIIFIZFQGHNCL-OAHLLOKOSA-N 1 1 324.381 -1.113 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3cncn3)C2)cn1 ZINC001380574299 922397913 /nfs/dbraw/zinc/39/79/13/922397913.db2.gz RNNHCDQUANSPDD-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380573822 922397999 /nfs/dbraw/zinc/39/79/99/922397999.db2.gz PWVIWRFMNUZKDJ-AAEUAGOBSA-N 1 1 313.358 -2.162 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001380575531 922398604 /nfs/dbraw/zinc/39/86/04/922398604.db2.gz HCDLLMLCDPICCT-HZMBPMFUSA-N 1 1 324.385 -1.353 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001380575531 922398616 /nfs/dbraw/zinc/39/86/16/922398616.db2.gz HCDLLMLCDPICCT-HZMBPMFUSA-N 1 1 324.385 -1.353 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380575467 922398685 /nfs/dbraw/zinc/39/86/85/922398685.db2.gz VHRFLOHWMFEPOD-FZMZJTMJSA-N 1 1 324.385 -1.692 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001380578865 922399231 /nfs/dbraw/zinc/39/92/31/922399231.db2.gz YNPHLNQXNYDRIS-BXUZGUMPSA-N 1 1 312.370 -1.108 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001380576631 922400009 /nfs/dbraw/zinc/40/00/09/922400009.db2.gz XMWWPKLDOHGAAT-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001380575541 922400145 /nfs/dbraw/zinc/40/01/45/922400145.db2.gz HCDLLMLCDPICCT-QMTHXVAHSA-N 1 1 324.385 -1.353 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001380575541 922400166 /nfs/dbraw/zinc/40/01/66/922400166.db2.gz HCDLLMLCDPICCT-QMTHXVAHSA-N 1 1 324.385 -1.353 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001380575544 922400682 /nfs/dbraw/zinc/40/06/82/922400682.db2.gz HCDLLMLCDPICCT-YGRLFVJLSA-N 1 1 324.385 -1.353 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001380575544 922400698 /nfs/dbraw/zinc/40/06/98/922400698.db2.gz HCDLLMLCDPICCT-YGRLFVJLSA-N 1 1 324.385 -1.353 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1cn[nH]c(=O)c1 ZINC001380597909 922411143 /nfs/dbraw/zinc/41/11/43/922411143.db2.gz FJSISZMUJFYNTM-SNVBAGLBSA-N 1 1 308.338 -1.005 20 0 DAADMO Cn1cnn(CC(=O)NCC2(O)C[NH+](CC3CCC3)C2)c1=O ZINC001380598911 922411480 /nfs/dbraw/zinc/41/14/80/922411480.db2.gz MLBPQZDDNYJMHI-UHFFFAOYSA-N 1 1 309.370 -1.455 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001380603022 922414079 /nfs/dbraw/zinc/41/40/79/922414079.db2.gz PWXIUJBHEHPKRD-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001380603018 922415243 /nfs/dbraw/zinc/41/52/43/922415243.db2.gz PWXIUJBHEHPKRD-RYUDHWBXSA-N 1 1 312.414 -1.103 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001380601759 922415602 /nfs/dbraw/zinc/41/56/02/922415602.db2.gz SMAXSEAUEVOOTD-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@H](C)C(=O)N(C)C)C1 ZINC001380604986 922418149 /nfs/dbraw/zinc/41/81/49/922418149.db2.gz GBFJZQUBAIQLRX-GFCCVEGCSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1(O)CN(CC(N)=O)C1)C2 ZINC001380614711 922420205 /nfs/dbraw/zinc/42/02/05/922420205.db2.gz OFMQQROYNCRQQT-LLVKDONJSA-N 1 1 321.381 -1.598 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cnn(C)n3)C2)C1 ZINC001380618908 922420348 /nfs/dbraw/zinc/42/03/48/922420348.db2.gz YWWGQEOWKBNHGU-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1(O)CN(CC(N)=O)C1)C2 ZINC001380614719 922420575 /nfs/dbraw/zinc/42/05/75/922420575.db2.gz OFMQQROYNCRQQT-NSHDSACASA-N 1 1 321.381 -1.598 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001380620889 922422495 /nfs/dbraw/zinc/42/24/95/922422495.db2.gz FDHZSDOSJNJRMV-QWRGUYRKSA-N 1 1 312.370 -1.743 20 0 DAADMO Cn1cc(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)[nH]c1=O ZINC001380623273 922422773 /nfs/dbraw/zinc/42/27/73/922422773.db2.gz DTFJMWCAPKUKOD-SNVBAGLBSA-N 1 1 310.354 -1.061 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CNC(=O)N1 ZINC001380620885 922422936 /nfs/dbraw/zinc/42/29/36/922422936.db2.gz FDHZSDOSJNJRMV-GHMZBOCLSA-N 1 1 312.370 -1.743 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001380621400 922423174 /nfs/dbraw/zinc/42/31/74/922423174.db2.gz KBIHSXYNMXYYNB-UHFFFAOYSA-N 1 1 320.353 -1.538 20 0 DAADMO O=C(NCC1(O)C[NH+](CCC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380626192 922426159 /nfs/dbraw/zinc/42/61/59/922426159.db2.gz DUZXNKVQEHOQKT-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001380645304 922431246 /nfs/dbraw/zinc/43/12/46/922431246.db2.gz WTTIIKYLZYAHBZ-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2(O)C[NH+](CC3CC3)C2)nn1 ZINC001380641410 922431478 /nfs/dbraw/zinc/43/14/78/922431478.db2.gz CEDXJFOJSAXWMA-UHFFFAOYSA-N 1 1 308.342 -2.050 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001380646068 922434086 /nfs/dbraw/zinc/43/40/86/922434086.db2.gz YOQUAIPKRUDKCZ-LLVKDONJSA-N 1 1 323.401 -1.785 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001380650002 922435131 /nfs/dbraw/zinc/43/51/31/922435131.db2.gz PQEKDPGYIIKIGT-SNVBAGLBSA-N 1 1 300.359 -1.756 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380646072 922435160 /nfs/dbraw/zinc/43/51/60/922435160.db2.gz YOQUAIPKRUDKCZ-NSHDSACASA-N 1 1 323.401 -1.785 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@H]2C1 ZINC001380703175 922436849 /nfs/dbraw/zinc/43/68/49/922436849.db2.gz BHWOCMOOXOGWHA-FVCCEPFGSA-N 1 1 313.398 -1.105 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)c1 ZINC001380701269 922437212 /nfs/dbraw/zinc/43/72/12/922437212.db2.gz KKPLVPDGHMHPRC-AOOOYVTPSA-N 1 1 320.353 -1.381 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C1 ZINC001380700592 922438096 /nfs/dbraw/zinc/43/80/96/922438096.db2.gz PILFVGNUDFOVIF-GRYCIOLGSA-N 1 1 315.370 -1.260 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001380699940 922438148 /nfs/dbraw/zinc/43/81/48/922438148.db2.gz CPPVTGMYPWSTKM-NNYUYHANSA-N 1 1 314.386 -1.559 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001380707411 922439947 /nfs/dbraw/zinc/43/99/47/922439947.db2.gz XVPLLSMWBNNGTF-PHIMTYICSA-N 1 1 323.397 -1.416 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001380704255 922440726 /nfs/dbraw/zinc/44/07/26/922440726.db2.gz MPQCNEZBVPNAJL-GRYCIOLGSA-N 1 1 322.365 -1.219 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736481 922443190 /nfs/dbraw/zinc/44/31/90/922443190.db2.gz XJXHHHNOBJJCHF-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736495 922445037 /nfs/dbraw/zinc/44/50/37/922445037.db2.gz XJXHHHNOBJJCHF-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001380734074 922445928 /nfs/dbraw/zinc/44/59/28/922445928.db2.gz NSWVBSKQEABYGE-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001380745221 922447396 /nfs/dbraw/zinc/44/73/96/922447396.db2.gz KZROWQSOPRIXLA-YPMHNXCESA-N 1 1 312.374 -1.613 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001380749000 922447819 /nfs/dbraw/zinc/44/78/19/922447819.db2.gz MCNIJADDMJFQIB-CQSZACIVSA-N 1 1 324.385 -1.270 20 0 DAADMO Cn1cc(CCC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)nn1 ZINC001380748772 922447964 /nfs/dbraw/zinc/44/79/64/922447964.db2.gz LHUKPQBQYHRUJP-CQSZACIVSA-N 1 1 311.386 -1.317 20 0 DAADMO Cn1cc(CCC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)nn1 ZINC001380748768 922448064 /nfs/dbraw/zinc/44/80/64/922448064.db2.gz LHUKPQBQYHRUJP-AWEZNQCLSA-N 1 1 311.386 -1.317 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001380738603 922448990 /nfs/dbraw/zinc/44/89/90/922448990.db2.gz ZWWWRUMYHUPJBH-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001380738594 922449110 /nfs/dbraw/zinc/44/91/10/922449110.db2.gz ZWWWRUMYHUPJBH-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001380759554 922451335 /nfs/dbraw/zinc/45/13/35/922451335.db2.gz BPYINQZMNXPKJS-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001380759554 922451345 /nfs/dbraw/zinc/45/13/45/922451345.db2.gz BPYINQZMNXPKJS-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cncnc1)c1nnnn1C ZINC001380762664 922451737 /nfs/dbraw/zinc/45/17/37/922451737.db2.gz GONSYEMHYPIPEN-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001380750400 922451894 /nfs/dbraw/zinc/45/18/94/922451894.db2.gz SDHWVHGBQOOFFI-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001380750400 922451900 /nfs/dbraw/zinc/45/19/00/922451900.db2.gz SDHWVHGBQOOFFI-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCOC1)c1nnnn1C ZINC001380770496 922453970 /nfs/dbraw/zinc/45/39/70/922453970.db2.gz WBDQTDOKNHNAOM-QWRGUYRKSA-N 1 1 312.374 -1.282 20 0 DAADMO CN1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001380767866 922454139 /nfs/dbraw/zinc/45/41/39/922454139.db2.gz RCRXRHRVSNMZGF-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO)S(C)(=O)=O ZINC001380771948 922454509 /nfs/dbraw/zinc/45/45/09/922454509.db2.gz UCKHNZFRNHBOAI-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cnon1)c1nncn1C ZINC001380767915 922454861 /nfs/dbraw/zinc/45/48/61/922454861.db2.gz WAYUEDQHGNESLU-SECBINFHSA-N 1 1 309.330 -1.017 20 0 DAADMO CN1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001380767873 922455332 /nfs/dbraw/zinc/45/53/32/922455332.db2.gz RCRXRHRVSNMZGF-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)Cn2ncnn2)[nH]1 ZINC001380770450 922455634 /nfs/dbraw/zinc/45/56/34/922455634.db2.gz ZXQUCUXSTUNHMZ-SECBINFHSA-N 1 1 323.361 -1.729 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1CC[C@H]1CCOC1 ZINC001380811961 922460270 /nfs/dbraw/zinc/46/02/70/922460270.db2.gz YHLBAVRXKPEFGR-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1CC[C@H]1CCOC1 ZINC001380811961 922460276 /nfs/dbraw/zinc/46/02/76/922460276.db2.gz YHLBAVRXKPEFGR-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1CC[C@H]1CCOC1 ZINC001380811970 922460848 /nfs/dbraw/zinc/46/08/48/922460848.db2.gz YHLBAVRXKPEFGR-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1CC[C@H]1CCOC1 ZINC001380811970 922460857 /nfs/dbraw/zinc/46/08/57/922460857.db2.gz YHLBAVRXKPEFGR-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001380834368 922463785 /nfs/dbraw/zinc/46/37/85/922463785.db2.gz SOMOKIZNUSLKOW-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CCC1)N1CCOCC1 ZINC001380876882 922468746 /nfs/dbraw/zinc/46/87/46/922468746.db2.gz BECNBOFSTAPSBG-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CCC1)N1CCOCC1 ZINC001380876882 922468756 /nfs/dbraw/zinc/46/87/56/922468756.db2.gz BECNBOFSTAPSBG-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001380895962 922470058 /nfs/dbraw/zinc/47/00/58/922470058.db2.gz HGGBSWRFZFHXFO-LBPRGKRZSA-N 1 1 310.358 -1.732 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001380899621 922470633 /nfs/dbraw/zinc/47/06/33/922470633.db2.gz BBKALUGPJIAQNM-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001380911325 922475176 /nfs/dbraw/zinc/47/51/76/922475176.db2.gz DQENQLSTIQWYEP-LLVKDONJSA-N 1 1 324.385 -1.212 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001380938753 922477463 /nfs/dbraw/zinc/47/74/63/922477463.db2.gz LPXQTOWMBSFPHA-SECBINFHSA-N 1 1 323.357 -1.406 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380928980 922478014 /nfs/dbraw/zinc/47/80/14/922478014.db2.gz DHIGYDXAGOMYLF-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001380949249 922481061 /nfs/dbraw/zinc/48/10/61/922481061.db2.gz OFHKURSKVIFVKZ-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001380944948 922481430 /nfs/dbraw/zinc/48/14/30/922481430.db2.gz SWPJOOMDRGKRIL-UHFFFAOYSA-N 1 1 324.389 -1.521 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001380959893 922481790 /nfs/dbraw/zinc/48/17/90/922481790.db2.gz GTBIOGMEYRQWOI-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001380959893 922481800 /nfs/dbraw/zinc/48/18/00/922481800.db2.gz GTBIOGMEYRQWOI-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001380970097 922483393 /nfs/dbraw/zinc/48/33/93/922483393.db2.gz JEDPDENHKJZPEW-VIFPVBQESA-N 1 1 315.374 -1.527 20 0 DAADMO CCNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001380995654 922487741 /nfs/dbraw/zinc/48/77/41/922487741.db2.gz VFLSFTAOHJGERE-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1)NC1CC1 ZINC001381041799 922492658 /nfs/dbraw/zinc/49/26/58/922492658.db2.gz GTKIZMVEOBHGMM-AWEZNQCLSA-N 1 1 322.369 -1.360 20 0 DAADMO CCCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001381048890 922493603 /nfs/dbraw/zinc/49/36/03/922493603.db2.gz SOYDLBQIACWSKE-CQSZACIVSA-N 1 1 324.385 -1.112 20 0 DAADMO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccn[nH]2)CC1 ZINC001381138652 922500344 /nfs/dbraw/zinc/50/03/44/922500344.db2.gz HVFBHPSCNYQFES-NSHDSACASA-N 1 1 312.370 -1.026 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001381144587 922504490 /nfs/dbraw/zinc/50/44/90/922504490.db2.gz PNJKSLHPXYVYMK-AWEZNQCLSA-N 1 1 323.397 -1.141 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381183973 922507637 /nfs/dbraw/zinc/50/76/37/922507637.db2.gz BWSYTDCXFHCQCI-MNOVXSKESA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001381164767 922508584 /nfs/dbraw/zinc/50/85/84/922508584.db2.gz BCMQXUWQZKRRGF-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001381164767 922508601 /nfs/dbraw/zinc/50/86/01/922508601.db2.gz BCMQXUWQZKRRGF-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](CCNC(=O)CN1CCOCC1)[NH2+]Cc1nnn(C)n1 ZINC001381185931 922508885 /nfs/dbraw/zinc/50/88/85/922508885.db2.gz HONAEYWKFJRFJW-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO O=C(NC1(CO)CC[NH+](CCF)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001381268086 922513451 /nfs/dbraw/zinc/51/34/51/922513451.db2.gz NQCQSKYWOPXUCF-JTQLQIEISA-N 1 1 323.390 -1.409 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001381268766 922513520 /nfs/dbraw/zinc/51/35/20/922513520.db2.gz RBDDPIBJVIDXSE-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001381258228 922513544 /nfs/dbraw/zinc/51/35/44/922513544.db2.gz ODIXSIUTSUJSBW-JTQLQIEISA-N 1 1 324.385 -1.446 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001381245098 922516317 /nfs/dbraw/zinc/51/63/17/922516317.db2.gz AGRYUVQXVVVZQT-UHFFFAOYSA-N 1 1 311.346 -2.638 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001381254497 922516552 /nfs/dbraw/zinc/51/65/52/922516552.db2.gz DICNLBQXEPWTKY-NSHDSACASA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290499 922517497 /nfs/dbraw/zinc/51/74/97/922517497.db2.gz DXDFETVGZNBDCO-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001381289978 922517628 /nfs/dbraw/zinc/51/76/28/922517628.db2.gz FDPKXICGXRBHHL-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001381278095 922517907 /nfs/dbraw/zinc/51/79/07/922517907.db2.gz RNHBWCKGWUDUJI-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001381278095 922517917 /nfs/dbraw/zinc/51/79/17/922517917.db2.gz RNHBWCKGWUDUJI-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001381294589 922518095 /nfs/dbraw/zinc/51/80/95/922518095.db2.gz FCSIINXHTPIFCY-IUCAKERBSA-N 1 1 323.357 -1.076 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001381292406 922518247 /nfs/dbraw/zinc/51/82/47/922518247.db2.gz HALYTIKBTVTDIV-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001381278090 922518643 /nfs/dbraw/zinc/51/86/43/922518643.db2.gz RNHBWCKGWUDUJI-JTQLQIEISA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001381278090 922518651 /nfs/dbraw/zinc/51/86/51/922518651.db2.gz RNHBWCKGWUDUJI-JTQLQIEISA-N 1 1 313.358 -1.760 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001381293487 922518677 /nfs/dbraw/zinc/51/86/77/922518677.db2.gz JYHKWMKNJLTBAJ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001381391705 922523734 /nfs/dbraw/zinc/52/37/34/922523734.db2.gz DYYZARCSUXCZTC-DTWKUNHWSA-N 1 1 323.357 -2.141 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2ncnn2)nn1 ZINC001381388170 922524314 /nfs/dbraw/zinc/52/43/14/922524314.db2.gz YFQJVGIIOIGVHD-ZJUUUORDSA-N 1 1 307.362 -1.033 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001381403749 922526391 /nfs/dbraw/zinc/52/63/91/922526391.db2.gz UNNHTHRAFZXALC-UWVGGRQHSA-N 1 1 323.401 -1.472 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427105 922527268 /nfs/dbraw/zinc/52/72/68/922527268.db2.gz ISFOPGPMPMVSBJ-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427105 922527279 /nfs/dbraw/zinc/52/72/79/922527279.db2.gz ISFOPGPMPMVSBJ-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381404279 922527805 /nfs/dbraw/zinc/52/78/05/922527805.db2.gz ROEARXBSKHACIR-RKDXNWHRSA-N 1 1 318.403 -1.372 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CCN(C)S(C)(=O)=O ZINC001381489871 922529692 /nfs/dbraw/zinc/52/96/92/922529692.db2.gz HRNQAFAQPFWWSK-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001381489871 922529700 /nfs/dbraw/zinc/52/97/00/922529700.db2.gz HRNQAFAQPFWWSK-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cccn2nnnc12 ZINC001381524026 922530858 /nfs/dbraw/zinc/53/08/58/922530858.db2.gz CFBIPDLGVUPPEP-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cccn2nnnc12 ZINC001381524026 922530871 /nfs/dbraw/zinc/53/08/71/922530871.db2.gz CFBIPDLGVUPPEP-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502707 922531783 /nfs/dbraw/zinc/53/17/83/922531783.db2.gz ADAGQOFONNKJAN-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502707 922531807 /nfs/dbraw/zinc/53/18/07/922531807.db2.gz ADAGQOFONNKJAN-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)NC1CC1 ZINC001381537059 922533469 /nfs/dbraw/zinc/53/34/69/922533469.db2.gz GADLDOLZPAPUFL-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)NC1CC1 ZINC001381537059 922533478 /nfs/dbraw/zinc/53/34/78/922533478.db2.gz GADLDOLZPAPUFL-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001381570504 922533655 /nfs/dbraw/zinc/53/36/55/922533655.db2.gz YWXMRUDMLVGTHQ-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCN1CCCC1=O ZINC001381572506 922534292 /nfs/dbraw/zinc/53/42/92/922534292.db2.gz KEZQWTFQTNINPB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001381533656 922535041 /nfs/dbraw/zinc/53/50/41/922535041.db2.gz IZQSLEYBJVOHBI-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)CC(=O)N(C)C ZINC001381569890 922535340 /nfs/dbraw/zinc/53/53/40/922535340.db2.gz YWYZIIKWNWSSTO-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)CC(=O)N(C)C ZINC001381569890 922535351 /nfs/dbraw/zinc/53/53/51/922535351.db2.gz YWYZIIKWNWSSTO-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001381536324 922535454 /nfs/dbraw/zinc/53/54/54/922535454.db2.gz UTLCGPVDRMZJSE-SNVBAGLBSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001381536324 922535471 /nfs/dbraw/zinc/53/54/71/922535471.db2.gz UTLCGPVDRMZJSE-SNVBAGLBSA-N 1 1 301.391 -1.124 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)N1CCC1 ZINC001381563266 922536170 /nfs/dbraw/zinc/53/61/70/922536170.db2.gz DZKJQZJNQZRFRC-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)N1CCC1 ZINC001381563266 922536182 /nfs/dbraw/zinc/53/61/82/922536182.db2.gz DZKJQZJNQZRFRC-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001381560818 922536479 /nfs/dbraw/zinc/53/64/79/922536479.db2.gz YEZOZCCKVDBSDQ-HTQZYQBOSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001381560818 922536491 /nfs/dbraw/zinc/53/64/91/922536491.db2.gz YEZOZCCKVDBSDQ-HTQZYQBOSA-N 1 1 309.392 -2.650 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001381536429 922536519 /nfs/dbraw/zinc/53/65/19/922536519.db2.gz VVGOCGVIZWSUOH-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001381536429 922536534 /nfs/dbraw/zinc/53/65/34/922536534.db2.gz VVGOCGVIZWSUOH-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001381584675 922537845 /nfs/dbraw/zinc/53/78/45/922537845.db2.gz CVRIGZBYEHMCOJ-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[N@H+](C)CC(N)=O ZINC001381591976 922538724 /nfs/dbraw/zinc/53/87/24/922538724.db2.gz KKOJWCBEILMCJQ-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[N@@H+](C)CC(N)=O ZINC001381591976 922538737 /nfs/dbraw/zinc/53/87/37/922538737.db2.gz KKOJWCBEILMCJQ-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001381623401 922539506 /nfs/dbraw/zinc/53/95/06/922539506.db2.gz YNLJJVRGKIBWIN-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381623401 922539523 /nfs/dbraw/zinc/53/95/23/922539523.db2.gz YNLJJVRGKIBWIN-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634512 922539963 /nfs/dbraw/zinc/53/99/63/922539963.db2.gz ZHEJNMQITKWOHM-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634512 922539980 /nfs/dbraw/zinc/53/99/80/922539980.db2.gz ZHEJNMQITKWOHM-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001381661242 922545526 /nfs/dbraw/zinc/54/55/26/922545526.db2.gz IRYKMBKUIOPSPW-LBPRGKRZSA-N 1 1 312.414 -1.101 20 0 DAADMO CN(C)C(=O)CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381688151 922548417 /nfs/dbraw/zinc/54/84/17/922548417.db2.gz ACDLKPCAUHAPNG-LBPRGKRZSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001381687419 922549049 /nfs/dbraw/zinc/54/90/49/922549049.db2.gz OTXVGXITOGRTCM-UHFFFAOYSA-N 1 1 322.431 -1.656 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(CCn3cncn3)C2)C1 ZINC001381692870 922550311 /nfs/dbraw/zinc/55/03/11/922550311.db2.gz VAGQGPGVQPFVMU-CYBMUJFWSA-N 1 1 322.413 -1.217 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001381693977 922550435 /nfs/dbraw/zinc/55/04/35/922550435.db2.gz ZJHMBFGVTOMQPM-QWRGUYRKSA-N 1 1 312.370 -1.743 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CNC(=O)N1 ZINC001381693981 922550921 /nfs/dbraw/zinc/55/09/21/922550921.db2.gz ZJHMBFGVTOMQPM-WDEREUQCSA-N 1 1 312.370 -1.743 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381778750 922553793 /nfs/dbraw/zinc/55/37/93/922553793.db2.gz OVQUFZDVOXAWNK-ONGXEEELSA-N 1 1 307.358 -1.660 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001381776792 922555119 /nfs/dbraw/zinc/55/51/19/922555119.db2.gz LSAMGVLPANQLSF-SNVBAGLBSA-N 1 1 309.374 -1.366 20 0 DAADMO COCC(=O)N1CC[C@]2(C1)C[N@H+](C[C@H](O)COC)CCO2 ZINC001381837117 922559050 /nfs/dbraw/zinc/55/90/50/922559050.db2.gz CHOSTDYPNWVTMV-GXTWGEPZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@H](O)COC)CCO2 ZINC001381837117 922559064 /nfs/dbraw/zinc/55/90/64/922559064.db2.gz CHOSTDYPNWVTMV-GXTWGEPZSA-N 1 1 302.371 -1.057 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001381855108 922560257 /nfs/dbraw/zinc/56/02/57/922560257.db2.gz PZMXNENITCYBQJ-LLVKDONJSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001381873952 922560350 /nfs/dbraw/zinc/56/03/50/922560350.db2.gz SGPUIHBFWMFSBW-XYYAHUGASA-N 1 1 306.370 -1.255 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001381873952 922560363 /nfs/dbraw/zinc/56/03/63/922560363.db2.gz SGPUIHBFWMFSBW-XYYAHUGASA-N 1 1 306.370 -1.255 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001381863890 922561620 /nfs/dbraw/zinc/56/16/20/922561620.db2.gz FRUSOWJHUPPMJW-RTCCRHLQSA-N 1 1 307.358 -1.897 20 0 DAADMO O=C(CCc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001381885730 922563094 /nfs/dbraw/zinc/56/30/94/922563094.db2.gz TWPIBSYXAISXHX-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001381885730 922563099 /nfs/dbraw/zinc/56/30/99/922563099.db2.gz TWPIBSYXAISXHX-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001381885730 922563104 /nfs/dbraw/zinc/56/31/04/922563104.db2.gz TWPIBSYXAISXHX-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001381889377 922564818 /nfs/dbraw/zinc/56/48/18/922564818.db2.gz FAMZIZUWRDWISR-ZDEQEGDKSA-N 1 1 323.397 -1.043 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001381889377 922564836 /nfs/dbraw/zinc/56/48/36/922564836.db2.gz FAMZIZUWRDWISR-ZDEQEGDKSA-N 1 1 323.397 -1.043 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001381889377 922564848 /nfs/dbraw/zinc/56/48/48/922564848.db2.gz FAMZIZUWRDWISR-ZDEQEGDKSA-N 1 1 323.397 -1.043 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928354 922567004 /nfs/dbraw/zinc/56/70/04/922567004.db2.gz KWOQEWZNGWMMSO-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928354 922567016 /nfs/dbraw/zinc/56/70/16/922567016.db2.gz KWOQEWZNGWMMSO-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC[C@H]3CCCO3)[C@@H]2C1 ZINC001381941742 922568555 /nfs/dbraw/zinc/56/85/55/922568555.db2.gz WWISMYPLNFGKFA-LPWJVIDDSA-N 1 1 311.382 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC[C@@H]3CCCO3)[C@@H]2C1 ZINC001381941750 922570621 /nfs/dbraw/zinc/57/06/21/922570621.db2.gz WWISMYPLNFGKFA-ZDEQEGDKSA-N 1 1 311.382 -1.039 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001381998332 922574494 /nfs/dbraw/zinc/57/44/94/922574494.db2.gz RWIYVIBJLAEXDY-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001381998317 922575166 /nfs/dbraw/zinc/57/51/66/922575166.db2.gz RWIYVIBJLAEXDY-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001381994248 922576050 /nfs/dbraw/zinc/57/60/50/922576050.db2.gz LTFJNXOEJNFGAU-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001381998337 922576209 /nfs/dbraw/zinc/57/62/09/922576209.db2.gz RWIYVIBJLAEXDY-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001381985838 922576352 /nfs/dbraw/zinc/57/63/52/922576352.db2.gz MKXLKXWHAVPQHF-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066617 922578821 /nfs/dbraw/zinc/57/88/21/922578821.db2.gz XHPYNQVDDODNFH-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066617 922578829 /nfs/dbraw/zinc/57/88/29/922578829.db2.gz XHPYNQVDDODNFH-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001382061529 922578930 /nfs/dbraw/zinc/57/89/30/922578930.db2.gz DRDZWZDLCDDYDM-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001382086074 922583573 /nfs/dbraw/zinc/58/35/73/922583573.db2.gz ONTXZFJXUHVLHZ-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001382131417 922586459 /nfs/dbraw/zinc/58/64/59/922586459.db2.gz CANXMPMICRGCHE-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001382122067 922587954 /nfs/dbraw/zinc/58/79/54/922587954.db2.gz MWIWVGRXHMUVKI-GARJFASQSA-N 1 1 324.385 -1.216 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CN2CCCC2=O)ncn1 ZINC001382176037 922595281 /nfs/dbraw/zinc/59/52/81/922595281.db2.gz CYWOWFBTECYQFI-ZDUSSCGKSA-N 1 1 321.381 -1.026 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180889 922596797 /nfs/dbraw/zinc/59/67/97/922596797.db2.gz VJQNIFDAFSEPKZ-QWRGUYRKSA-N 1 1 320.357 -1.401 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180955 922597584 /nfs/dbraw/zinc/59/75/84/922597584.db2.gz VSWYMOKRKJOYMI-NSHDSACASA-N 1 1 306.330 -1.962 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cn1 ZINC001382183817 922597898 /nfs/dbraw/zinc/59/78/98/922597898.db2.gz MUQHMLGLGSCJJX-NWDGAFQWSA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180891 922598906 /nfs/dbraw/zinc/59/89/06/922598906.db2.gz VJQNIFDAFSEPKZ-WDEREUQCSA-N 1 1 320.357 -1.401 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c1)N1CCNC(=O)C1 ZINC001382188429 922599928 /nfs/dbraw/zinc/59/99/28/922599928.db2.gz QIUYUCQXIPRBMS-JTQLQIEISA-N 1 1 324.341 -2.952 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001382186790 922601480 /nfs/dbraw/zinc/60/14/80/922601480.db2.gz GLSHMZIRBDRBOD-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001382192739 922602906 /nfs/dbraw/zinc/60/29/06/922602906.db2.gz XDMJGAMEWGSUNT-GHMZBOCLSA-N 1 1 324.337 -1.235 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001382196884 922607248 /nfs/dbraw/zinc/60/72/48/922607248.db2.gz UPRVGHLRRYBMOY-RYUDHWBXSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001382196884 922607256 /nfs/dbraw/zinc/60/72/56/922607256.db2.gz UPRVGHLRRYBMOY-RYUDHWBXSA-N 1 1 309.370 -1.626 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@@H]1CCNC(=O)C1 ZINC001382194679 922608059 /nfs/dbraw/zinc/60/80/59/922608059.db2.gz CGJVDVSIXKRUEB-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)C1 ZINC001382196572 922609333 /nfs/dbraw/zinc/60/93/33/922609333.db2.gz BDTVMYPBVMWSNE-GFCCVEGCSA-N 1 1 309.370 -1.535 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001382198881 922610103 /nfs/dbraw/zinc/61/01/03/922610103.db2.gz LQYXWNNBUGFWAL-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@H](CO)[NH2+][C@H]1CCCNC1=O)c1ncccc1O ZINC001382203078 922613867 /nfs/dbraw/zinc/61/38/67/922613867.db2.gz ZCMWTTMYCZQABL-ZJUUUORDSA-N 1 1 308.338 -1.254 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)o1 ZINC001382205096 922614828 /nfs/dbraw/zinc/61/48/28/922614828.db2.gz QVHBPPSNEQJAJY-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)c1=O ZINC001382207432 922618291 /nfs/dbraw/zinc/61/82/91/922618291.db2.gz JNLOUMDYEGRFNM-LBPRGKRZSA-N 1 1 320.353 -1.756 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@H]1CCCC(=O)N1 ZINC001382208208 922619101 /nfs/dbraw/zinc/61/91/01/922619101.db2.gz HWPCUMXNICAYKX-PSASIEDQSA-N 1 1 313.383 -1.227 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC)CC[N@@H+]1C ZINC001382209958 922619723 /nfs/dbraw/zinc/61/97/23/922619723.db2.gz MUZQIECEOPPCOP-GRYCIOLGSA-N 1 1 300.403 -1.471 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC)CC[N@H+]1C ZINC001382209958 922619733 /nfs/dbraw/zinc/61/97/33/922619733.db2.gz MUZQIECEOPPCOP-GRYCIOLGSA-N 1 1 300.403 -1.471 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001382212369 922621409 /nfs/dbraw/zinc/62/14/09/922621409.db2.gz PDUJJGQQCYWPGA-ZDUSSCGKSA-N 1 1 319.365 -1.001 20 0 DAADMO CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001382216237 922624433 /nfs/dbraw/zinc/62/44/33/922624433.db2.gz RMTSXGSRSUKQJA-QWRGUYRKSA-N 1 1 300.403 -1.328 20 0 DAADMO CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216237 922624443 /nfs/dbraw/zinc/62/44/43/922624443.db2.gz RMTSXGSRSUKQJA-QWRGUYRKSA-N 1 1 300.403 -1.328 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001382226586 922628203 /nfs/dbraw/zinc/62/82/03/922628203.db2.gz HWVDYSNVZZJZBC-IUCAKERBSA-N 1 1 307.372 -2.637 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001382225235 922629203 /nfs/dbraw/zinc/62/92/03/922629203.db2.gz YDEUTMGYPBNWFS-VHSXEESVSA-N 1 1 323.397 -1.229 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001382228581 922630656 /nfs/dbraw/zinc/63/06/56/922630656.db2.gz BMFCEJJSFVGOKX-NWDGAFQWSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001382230147 922631090 /nfs/dbraw/zinc/63/10/90/922631090.db2.gz LZYCWUNFDUBXPA-QWRGUYRKSA-N 1 1 324.385 -1.702 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C ZINC001382234085 922631153 /nfs/dbraw/zinc/63/11/53/922631153.db2.gz JBSPZFYRWMUSTA-NSHDSACASA-N 1 1 302.419 -1.081 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001382234719 922633251 /nfs/dbraw/zinc/63/32/51/922633251.db2.gz LAYRYOOALQJMAE-UWVGGRQHSA-N 1 1 311.342 -1.460 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001382234670 922634367 /nfs/dbraw/zinc/63/43/67/922634367.db2.gz KRWWSPJCIFRJQJ-KOLCDFICSA-N 1 1 311.342 -1.515 20 0 DAADMO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC)C1 ZINC001382238585 922634479 /nfs/dbraw/zinc/63/44/79/922634479.db2.gz OCWFQKHQTIIIAO-OLZOCXBDSA-N 1 1 314.430 -1.079 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC)C1 ZINC001382238585 922634487 /nfs/dbraw/zinc/63/44/87/922634487.db2.gz OCWFQKHQTIIIAO-OLZOCXBDSA-N 1 1 314.430 -1.079 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001382234676 922634984 /nfs/dbraw/zinc/63/49/84/922634984.db2.gz KRWWSPJCIFRJQJ-ONGXEEELSA-N 1 1 311.342 -1.515 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)NC1=O ZINC001382245141 922636588 /nfs/dbraw/zinc/63/65/88/922636588.db2.gz MLOFRVUPKDOTQC-PSASIEDQSA-N 1 1 311.346 -2.595 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1CNC(=O)N1 ZINC001382239238 922637955 /nfs/dbraw/zinc/63/79/55/922637955.db2.gz UBOHIMQEHKPLGW-ZYHUDNBSSA-N 1 1 322.369 -1.923 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382241217 922638326 /nfs/dbraw/zinc/63/83/26/922638326.db2.gz CAYMLWBUNHGFFM-AXFHLTTASA-N 1 1 324.385 -1.705 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2cn(C)nn2)C1 ZINC001382244679 922638423 /nfs/dbraw/zinc/63/84/23/922638423.db2.gz HAVXSNNISPOZNY-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)NC1=O ZINC001382245148 922639816 /nfs/dbraw/zinc/63/98/16/922639816.db2.gz MLOFRVUPKDOTQC-WPRPVWTQSA-N 1 1 311.346 -2.595 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)NC1=O ZINC001382245145 922640340 /nfs/dbraw/zinc/64/03/40/922640340.db2.gz MLOFRVUPKDOTQC-WCBMZHEXSA-N 1 1 311.346 -2.595 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001382250889 922643283 /nfs/dbraw/zinc/64/32/83/922643283.db2.gz ONOVPGCWCKWTPE-LLVKDONJSA-N 1 1 302.419 -1.223 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001382250889 922643292 /nfs/dbraw/zinc/64/32/92/922643292.db2.gz ONOVPGCWCKWTPE-LLVKDONJSA-N 1 1 302.419 -1.223 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382250859 922643781 /nfs/dbraw/zinc/64/37/81/922643781.db2.gz OHZPTOUKLVAIKY-AXFHLTTASA-N 1 1 310.354 -1.020 20 0 DAADMO COc1cncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001382254034 922645243 /nfs/dbraw/zinc/64/52/43/922645243.db2.gz ZUEGRXQJEFGJCG-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@@H](C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001382253433 922645599 /nfs/dbraw/zinc/64/55/99/922645599.db2.gz LFSZNWYRJLGHRJ-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001382253433 922645603 /nfs/dbraw/zinc/64/56/03/922645603.db2.gz LFSZNWYRJLGHRJ-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001382261990 922648092 /nfs/dbraw/zinc/64/80/92/922648092.db2.gz XNQUZYLPDIPYFY-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001382261990 922648109 /nfs/dbraw/zinc/64/81/09/922648109.db2.gz XNQUZYLPDIPYFY-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001382259123 922648339 /nfs/dbraw/zinc/64/83/39/922648339.db2.gz YRNNMNNJQOQYGA-LLVKDONJSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1nncc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268244 922650712 /nfs/dbraw/zinc/65/07/12/922650712.db2.gz UMTOJLGFENNAMW-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268245 922651938 /nfs/dbraw/zinc/65/19/38/922651938.db2.gz UMTOJLGFENNAMW-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO CCN(CC)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382270811 922656497 /nfs/dbraw/zinc/65/64/97/922656497.db2.gz DRPYYXARJKLTQM-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(CC)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382270811 922656511 /nfs/dbraw/zinc/65/65/11/922656511.db2.gz DRPYYXARJKLTQM-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270827 922656731 /nfs/dbraw/zinc/65/67/31/922656731.db2.gz CSYOLPQUSPDGTL-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270827 922656742 /nfs/dbraw/zinc/65/67/42/922656742.db2.gz CSYOLPQUSPDGTL-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271714 922659281 /nfs/dbraw/zinc/65/92/81/922659281.db2.gz DXZUFKKBAOMBTC-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271714 922659286 /nfs/dbraw/zinc/65/92/86/922659286.db2.gz DXZUFKKBAOMBTC-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(F)F)C1 ZINC001382276531 922661295 /nfs/dbraw/zinc/66/12/95/922661295.db2.gz SAAXNMJKNYLYMJ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(F)F)C1 ZINC001382276531 922661305 /nfs/dbraw/zinc/66/13/05/922661305.db2.gz SAAXNMJKNYLYMJ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382275444 922661580 /nfs/dbraw/zinc/66/15/80/922661580.db2.gz SYTOIRGZQWQVFP-RYUDHWBXSA-N 1 1 300.403 -1.517 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275444 922661591 /nfs/dbraw/zinc/66/15/91/922661591.db2.gz SYTOIRGZQWQVFP-RYUDHWBXSA-N 1 1 300.403 -1.517 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382275439 922663250 /nfs/dbraw/zinc/66/32/50/922663250.db2.gz SYTOIRGZQWQVFP-NEPJUHHUSA-N 1 1 300.403 -1.517 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382275439 922663260 /nfs/dbraw/zinc/66/32/60/922663260.db2.gz SYTOIRGZQWQVFP-NEPJUHHUSA-N 1 1 300.403 -1.517 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001382288810 922669412 /nfs/dbraw/zinc/66/94/12/922669412.db2.gz CGJPMPXIMJGEMN-NSHDSACASA-N 1 1 315.370 -1.192 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001382290202 922669501 /nfs/dbraw/zinc/66/95/01/922669501.db2.gz WXAGPOPWWUTILT-JTQLQIEISA-N 1 1 319.387 -2.464 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)Cn2ccnc2)n1 ZINC001382286212 922669552 /nfs/dbraw/zinc/66/95/52/922669552.db2.gz LNSCKWHVMXZKFI-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)[C@H]1C ZINC001382297099 922672304 /nfs/dbraw/zinc/67/23/04/922672304.db2.gz GSAWOMZIEICTLY-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cncn1 ZINC001382316734 922680694 /nfs/dbraw/zinc/68/06/94/922680694.db2.gz NXZXUPUTNZLLCQ-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001382317809 922682211 /nfs/dbraw/zinc/68/22/11/922682211.db2.gz FHACJSDUDUZXSJ-OBJOEFQTSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCNC(N)=O ZINC001382313027 922682356 /nfs/dbraw/zinc/68/23/56/922682356.db2.gz JGDRHZFJYXYXRP-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CCNC(N)=O ZINC001382321568 922683158 /nfs/dbraw/zinc/68/31/58/922683158.db2.gz ZANLEHYUWBRTTL-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323750 922684631 /nfs/dbraw/zinc/68/46/31/922684631.db2.gz HYPCFKLYPOSMJZ-CMPLNLGQSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323750 922684643 /nfs/dbraw/zinc/68/46/43/922684643.db2.gz HYPCFKLYPOSMJZ-CMPLNLGQSA-N 1 1 311.338 -1.183 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001382328631 922686482 /nfs/dbraw/zinc/68/64/82/922686482.db2.gz RXIORLGMNXWHCW-LLVKDONJSA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cnns1 ZINC001382331219 922686801 /nfs/dbraw/zinc/68/68/01/922686801.db2.gz OGWYHLYVGJHTTF-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001382332249 922686910 /nfs/dbraw/zinc/68/69/10/922686910.db2.gz PPRGYPOIJUFBOJ-YRGRVCCFSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001382336918 922689733 /nfs/dbraw/zinc/68/97/33/922689733.db2.gz LZHYJQJPEDOQTC-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001382336918 922689747 /nfs/dbraw/zinc/68/97/47/922689747.db2.gz LZHYJQJPEDOQTC-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001382333367 922690475 /nfs/dbraw/zinc/69/04/75/922690475.db2.gz OCTQFBBVINYNDU-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001382348622 922691781 /nfs/dbraw/zinc/69/17/81/922691781.db2.gz QUDBOUFFGFWVBS-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001382348615 922692673 /nfs/dbraw/zinc/69/26/73/922692673.db2.gz QUDBOUFFGFWVBS-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001382367953 922696911 /nfs/dbraw/zinc/69/69/11/922696911.db2.gz KBMIEGSLNGXULX-GXSJLCMTSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001382367958 922698921 /nfs/dbraw/zinc/69/89/21/922698921.db2.gz KBMIEGSLNGXULX-KOLCDFICSA-N 1 1 310.358 -1.884 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382370775 922699858 /nfs/dbraw/zinc/69/98/58/922699858.db2.gz SPMAKELTSTYOQL-WDEREUQCSA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370400 922700536 /nfs/dbraw/zinc/70/05/36/922700536.db2.gz JXDPVNIIXGWOLZ-QWRGUYRKSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370400 922700544 /nfs/dbraw/zinc/70/05/44/922700544.db2.gz JXDPVNIIXGWOLZ-QWRGUYRKSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1ccnc1 ZINC001382370786 922700823 /nfs/dbraw/zinc/70/08/23/922700823.db2.gz SRPPBUGLRILOBR-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382370478 922700986 /nfs/dbraw/zinc/70/09/86/922700986.db2.gz DKNXTLGEAYZIRN-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382370473 922701053 /nfs/dbraw/zinc/70/10/53/922701053.db2.gz DKNXTLGEAYZIRN-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382374086 922705097 /nfs/dbraw/zinc/70/50/97/922705097.db2.gz UNQGZAOPOKXZSF-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C1CCOCC1 ZINC001382379433 922706372 /nfs/dbraw/zinc/70/63/72/922706372.db2.gz XPFCWMJDURIPQR-LBPRGKRZSA-N 1 1 312.374 -1.047 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001382387238 922710734 /nfs/dbraw/zinc/71/07/34/922710734.db2.gz DDFZZLDBBHWYHB-PSASIEDQSA-N 1 1 315.399 -1.028 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001382385007 922711109 /nfs/dbraw/zinc/71/11/09/922711109.db2.gz GTISNVZWMRWLRQ-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1COC(=O)N1 ZINC001382392701 922715884 /nfs/dbraw/zinc/71/58/84/922715884.db2.gz MIANEZPWGAGEQB-ZJUUUORDSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn(C)cn1 ZINC001382394931 922717062 /nfs/dbraw/zinc/71/70/62/922717062.db2.gz CWOJFOYFNMDAMT-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001382395093 922717185 /nfs/dbraw/zinc/71/71/85/922717185.db2.gz UDISEPGVPSTEIT-HTQZYQBOSA-N 1 1 313.318 -2.773 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)n1 ZINC001382395567 922717590 /nfs/dbraw/zinc/71/75/90/922717590.db2.gz QQYPOMRKQGXDQQ-NSHDSACASA-N 1 1 320.357 -1.619 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)NC1 ZINC001382398792 922719331 /nfs/dbraw/zinc/71/93/31/922719331.db2.gz GCLURKMNHNQLQW-GXSJLCMTSA-N 1 1 311.342 -1.495 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001382398725 922719918 /nfs/dbraw/zinc/71/99/18/922719918.db2.gz FMZBUCIKELFRFN-SECBINFHSA-N 1 1 308.346 -1.361 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382398798 922719952 /nfs/dbraw/zinc/71/99/52/922719952.db2.gz GCLURKMNHNQLQW-MWLCHTKSSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382401260 922722197 /nfs/dbraw/zinc/72/21/97/922722197.db2.gz MXRXROMJIDWDKV-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CCc1n[nH]cc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382405164 922725359 /nfs/dbraw/zinc/72/53/59/922725359.db2.gz WGMDMUXTWOPVID-SECBINFHSA-N 1 1 322.373 -1.282 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001382410226 922729202 /nfs/dbraw/zinc/72/92/02/922729202.db2.gz BBQBXKIVEAJROE-VIFPVBQESA-N 1 1 323.357 -1.225 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2ccn(C)n2)[nH]1 ZINC001382411735 922732111 /nfs/dbraw/zinc/73/21/11/922732111.db2.gz NLBIVHCQGMIAEP-GFCCVEGCSA-N 1 1 321.385 -1.002 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001382418805 922739233 /nfs/dbraw/zinc/73/92/33/922739233.db2.gz OXJRPPLAYZBJQP-GXSJLCMTSA-N 1 1 324.385 -1.197 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1c[nH]c(=O)n1C ZINC001382423585 922740075 /nfs/dbraw/zinc/74/00/75/922740075.db2.gz XVBPXKJQQGJKTD-SECBINFHSA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001382424128 922740796 /nfs/dbraw/zinc/74/07/96/922740796.db2.gz JMTIGQMAJJEFBO-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001382424128 922740801 /nfs/dbraw/zinc/74/08/01/922740801.db2.gz JMTIGQMAJJEFBO-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2cnnn2)[nH]1 ZINC001382422104 922742403 /nfs/dbraw/zinc/74/24/03/922742403.db2.gz AISXEDGLWKIRGB-SNVBAGLBSA-N 1 1 323.361 -1.901 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccncn1 ZINC001382426647 922744428 /nfs/dbraw/zinc/74/44/28/922744428.db2.gz MICCUIGVZAHJJS-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNCc1nnnn1C ZINC001382436572 922750531 /nfs/dbraw/zinc/75/05/31/922750531.db2.gz GZBMLFDFZJDSMQ-LLVKDONJSA-N 1 1 313.406 -1.541 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cn1cnnn1 ZINC001382436684 922751453 /nfs/dbraw/zinc/75/14/53/922751453.db2.gz HMQVPQIEDHMGGY-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNCc1nnnn1C ZINC001382436575 922751956 /nfs/dbraw/zinc/75/19/56/922751956.db2.gz GZBMLFDFZJDSMQ-NSHDSACASA-N 1 1 313.406 -1.541 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC001382442491 922755781 /nfs/dbraw/zinc/75/57/81/922755781.db2.gz RNLFPNZDQKOXML-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001382441691 922755916 /nfs/dbraw/zinc/75/59/16/922755916.db2.gz PRVPLCXYCXLOKT-NEPJUHHUSA-N 1 1 312.370 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNCc1cnn(C)n1 ZINC001382440816 922755970 /nfs/dbraw/zinc/75/59/70/922755970.db2.gz KIMAHDFWLCNMCP-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cncn1C ZINC001382444149 922756014 /nfs/dbraw/zinc/75/60/14/922756014.db2.gz VOSQRKLSHBMDPS-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cncn1C ZINC001382444146 922756734 /nfs/dbraw/zinc/75/67/34/922756734.db2.gz VOSQRKLSHBMDPS-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1cnnn1 ZINC001382445363 922758410 /nfs/dbraw/zinc/75/84/10/922758410.db2.gz XALZLFGPOHDCEW-LBPRGKRZSA-N 1 1 322.373 -1.679 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001382445795 922758712 /nfs/dbraw/zinc/75/87/12/922758712.db2.gz RFUCQAAENHDLJU-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)CS(C)(=O)=O ZINC001382447734 922758754 /nfs/dbraw/zinc/75/87/54/922758754.db2.gz SJINFXWGMBDUNR-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001382447829 922759632 /nfs/dbraw/zinc/75/96/32/922759632.db2.gz TWJRLEWVPGFKTM-SNVBAGLBSA-N 1 1 318.374 -1.818 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001382447829 922759640 /nfs/dbraw/zinc/75/96/40/922759640.db2.gz TWJRLEWVPGFKTM-SNVBAGLBSA-N 1 1 318.374 -1.818 20 0 DAADMO COCC1(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001382444191 922760093 /nfs/dbraw/zinc/76/00/93/922760093.db2.gz VZMFVJKFZHCBSJ-NEPJUHHUSA-N 1 1 313.398 -1.042 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001382445531 922760485 /nfs/dbraw/zinc/76/04/85/922760485.db2.gz YGWJWICWFGWVND-KOLCDFICSA-N 1 1 323.353 -1.565 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448691 922762185 /nfs/dbraw/zinc/76/21/85/922762185.db2.gz GMUYHISKXXSMEH-MWLCHTKSSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448691 922762199 /nfs/dbraw/zinc/76/21/99/922762199.db2.gz GMUYHISKXXSMEH-MWLCHTKSSA-N 1 1 314.386 -1.863 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382450706 922762231 /nfs/dbraw/zinc/76/22/31/922762231.db2.gz NRGWNELFOJQNHN-DTWKUNHWSA-N 1 1 320.415 -1.316 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382450706 922762243 /nfs/dbraw/zinc/76/22/43/922762243.db2.gz NRGWNELFOJQNHN-DTWKUNHWSA-N 1 1 320.415 -1.316 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001382449999 922763251 /nfs/dbraw/zinc/76/32/51/922763251.db2.gz CDWJWIKVEGGFIV-NXEZZACHSA-N 1 1 314.386 -1.022 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001382449999 922763264 /nfs/dbraw/zinc/76/32/64/922763264.db2.gz CDWJWIKVEGGFIV-NXEZZACHSA-N 1 1 314.386 -1.022 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c1cnn(C)c1 ZINC001382458135 922765013 /nfs/dbraw/zinc/76/50/13/922765013.db2.gz GKLUGPDODFPDGN-OLZOCXBDSA-N 1 1 314.386 -1.149 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382458952 922765734 /nfs/dbraw/zinc/76/57/34/922765734.db2.gz QTWVJAYCHFJIIY-DTWKUNHWSA-N 1 1 302.331 -2.408 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382458952 922765746 /nfs/dbraw/zinc/76/57/46/922765746.db2.gz QTWVJAYCHFJIIY-DTWKUNHWSA-N 1 1 302.331 -2.408 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382458955 922766315 /nfs/dbraw/zinc/76/63/15/922766315.db2.gz QTWVJAYCHFJIIY-IUCAKERBSA-N 1 1 302.331 -2.408 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382458955 922766329 /nfs/dbraw/zinc/76/63/29/922766329.db2.gz QTWVJAYCHFJIIY-IUCAKERBSA-N 1 1 302.331 -2.408 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001382457173 922766430 /nfs/dbraw/zinc/76/64/30/922766430.db2.gz AFXPPNCGTVKGBX-JTQLQIEISA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001382457173 922766436 /nfs/dbraw/zinc/76/64/36/922766436.db2.gz AFXPPNCGTVKGBX-JTQLQIEISA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001382457181 922766506 /nfs/dbraw/zinc/76/65/06/922766506.db2.gz AFXPPNCGTVKGBX-SNVBAGLBSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001382457181 922766520 /nfs/dbraw/zinc/76/65/20/922766520.db2.gz AFXPPNCGTVKGBX-SNVBAGLBSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1ncnn1 ZINC001382466732 922768182 /nfs/dbraw/zinc/76/81/82/922768182.db2.gz UHEDZWOCCQJHFA-NWDGAFQWSA-N 1 1 312.374 -1.539 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc2nnnn2c1 ZINC001382462321 922768316 /nfs/dbraw/zinc/76/83/16/922768316.db2.gz OXOWWLIAOISALT-LBPRGKRZSA-N 1 1 322.369 -1.129 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001382466818 922768591 /nfs/dbraw/zinc/76/85/91/922768591.db2.gz UIWQCNIIUYXWPZ-UWVGGRQHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382463876 922768796 /nfs/dbraw/zinc/76/87/96/922768796.db2.gz DHAQAONDDICXSJ-NMKXLXIOSA-N 1 1 313.398 -1.282 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382463876 922768805 /nfs/dbraw/zinc/76/88/05/922768805.db2.gz DHAQAONDDICXSJ-NMKXLXIOSA-N 1 1 313.398 -1.282 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001382466665 922769009 /nfs/dbraw/zinc/76/90/09/922769009.db2.gz CIJFEKHDBZIQJE-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001382466658 922769108 /nfs/dbraw/zinc/76/91/08/922769108.db2.gz CIJFEKHDBZIQJE-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001382466142 922769159 /nfs/dbraw/zinc/76/91/59/922769159.db2.gz FLELQGBFTPGCKJ-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nccn2C1 ZINC001382464552 922769280 /nfs/dbraw/zinc/76/92/80/922769280.db2.gz BNPYIYRYFQSOMX-NEPJUHHUSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nccn2C1 ZINC001382464552 922769293 /nfs/dbraw/zinc/76/92/93/922769293.db2.gz BNPYIYRYFQSOMX-NEPJUHHUSA-N 1 1 323.397 -1.318 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001382463940 922769517 /nfs/dbraw/zinc/76/95/17/922769517.db2.gz RHRLCLYYOYEHLV-VIFPVBQESA-N 1 1 303.363 -2.588 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001382463940 922769528 /nfs/dbraw/zinc/76/95/28/922769528.db2.gz RHRLCLYYOYEHLV-VIFPVBQESA-N 1 1 303.363 -2.588 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001382463052 922769557 /nfs/dbraw/zinc/76/95/57/922769557.db2.gz WZPSCCLDCUUPDA-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001382463052 922769568 /nfs/dbraw/zinc/76/95/68/922769568.db2.gz WZPSCCLDCUUPDA-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382464715 922770645 /nfs/dbraw/zinc/77/06/45/922770645.db2.gz CDSUTXIBMASBOI-NWDGAFQWSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2cccnn21 ZINC001382471959 922772105 /nfs/dbraw/zinc/77/21/05/922772105.db2.gz OIVVCRFHDIWAAK-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2cccnn21 ZINC001382471959 922772120 /nfs/dbraw/zinc/77/21/20/922772120.db2.gz OIVVCRFHDIWAAK-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382467438 922772592 /nfs/dbraw/zinc/77/25/92/922772592.db2.gz NUYIGUIBVVGZNG-NXEZZACHSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467438 922772602 /nfs/dbraw/zinc/77/26/02/922772602.db2.gz NUYIGUIBVVGZNG-NXEZZACHSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467438 922772612 /nfs/dbraw/zinc/77/26/12/922772612.db2.gz NUYIGUIBVVGZNG-NXEZZACHSA-N 1 1 300.359 -1.129 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001382468395 922772640 /nfs/dbraw/zinc/77/26/40/922772640.db2.gz HDYDPVDLDKNGBT-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)c1nnn(C)n1 ZINC001382470280 922773068 /nfs/dbraw/zinc/77/30/68/922773068.db2.gz BRZSIAWDBOAMSK-NSHDSACASA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001382470606 922774147 /nfs/dbraw/zinc/77/41/47/922774147.db2.gz FLTPYPRCABEOMJ-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001382470606 922774156 /nfs/dbraw/zinc/77/41/56/922774156.db2.gz FLTPYPRCABEOMJ-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468359 922774571 /nfs/dbraw/zinc/77/45/71/922774571.db2.gz HCNTXZGHOVYQIG-JQWIXIFHSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468359 922774585 /nfs/dbraw/zinc/77/45/85/922774585.db2.gz HCNTXZGHOVYQIG-JQWIXIFHSA-N 1 1 324.381 -1.376 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382468302 922774860 /nfs/dbraw/zinc/77/48/60/922774860.db2.gz XKJPAUZSFKXQMU-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ncc[nH]1 ZINC001382473139 922775067 /nfs/dbraw/zinc/77/50/67/922775067.db2.gz NEPSEMBOXNNRQE-RYUDHWBXSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001382476289 922776048 /nfs/dbraw/zinc/77/60/48/922776048.db2.gz FBMGQSOSBRAUOA-QWRGUYRKSA-N 1 1 324.385 -1.923 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001382476289 922776057 /nfs/dbraw/zinc/77/60/57/922776057.db2.gz FBMGQSOSBRAUOA-QWRGUYRKSA-N 1 1 324.385 -1.923 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001382474799 922776436 /nfs/dbraw/zinc/77/64/36/922776436.db2.gz SKPFHEHVLPFRAW-KOLCDFICSA-N 1 1 312.370 -1.141 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001382475211 922777800 /nfs/dbraw/zinc/77/78/00/922777800.db2.gz UFEXZTPTZYIXSS-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)N1CCOCC1 ZINC001382474129 922777836 /nfs/dbraw/zinc/77/78/36/922777836.db2.gz SIAOJPKEXVZVEK-CYBMUJFWSA-N 1 1 317.430 -1.159 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccn2nnnc2c1 ZINC001382474792 922778839 /nfs/dbraw/zinc/77/88/39/922778839.db2.gz MQWLTEITVYTEMX-LLVKDONJSA-N 1 1 308.342 -1.519 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479411 922780249 /nfs/dbraw/zinc/78/02/49/922780249.db2.gz UWJLSTCXFZZJAZ-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479411 922780261 /nfs/dbraw/zinc/78/02/61/922780261.db2.gz UWJLSTCXFZZJAZ-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001382480429 922780376 /nfs/dbraw/zinc/78/03/76/922780376.db2.gz LXIOISGZPOLSMW-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382479774 922781448 /nfs/dbraw/zinc/78/14/48/922781448.db2.gz IXALPDSMZMRUQY-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382479774 922781462 /nfs/dbraw/zinc/78/14/62/922781462.db2.gz IXALPDSMZMRUQY-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001382483860 922783894 /nfs/dbraw/zinc/78/38/94/922783894.db2.gz YEYRBFMQVCVSDA-SECBINFHSA-N 1 1 316.337 -1.902 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001382483860 922783902 /nfs/dbraw/zinc/78/39/02/922783902.db2.gz YEYRBFMQVCVSDA-SECBINFHSA-N 1 1 316.337 -1.902 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCCC(N)=O)C1 ZINC001382495491 922788436 /nfs/dbraw/zinc/78/84/36/922788436.db2.gz KSBYOFCUXVATTL-WDEREUQCSA-N 1 1 314.386 -1.813 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382509884 922788879 /nfs/dbraw/zinc/78/88/79/922788879.db2.gz JTBGVPGWEOIKHH-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382509884 922788896 /nfs/dbraw/zinc/78/88/96/922788896.db2.gz JTBGVPGWEOIKHH-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382509884 922788910 /nfs/dbraw/zinc/78/89/10/922788910.db2.gz JTBGVPGWEOIKHH-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382510296 922789960 /nfs/dbraw/zinc/78/99/60/922789960.db2.gz USJBBHUNASPDBQ-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1nccc1C(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382521529 922793531 /nfs/dbraw/zinc/79/35/31/922793531.db2.gz MCMQQSUYKQZLFH-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001382520700 922793657 /nfs/dbraw/zinc/79/36/57/922793657.db2.gz LKBDQWKJGPCZAP-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cn1ncnn1 ZINC001382524532 922793962 /nfs/dbraw/zinc/79/39/62/922793962.db2.gz NDHAGVFONHOCIN-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001382524487 922794081 /nfs/dbraw/zinc/79/40/81/922794081.db2.gz MNVLMLNCNAGQPF-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@H]1CCNC1=O ZINC001382530859 922796078 /nfs/dbraw/zinc/79/60/78/922796078.db2.gz TZSVHMRATDVOPC-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@H]1CCNC1=O ZINC001382530859 922796087 /nfs/dbraw/zinc/79/60/87/922796087.db2.gz TZSVHMRATDVOPC-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cnccn1 ZINC001382529383 922796917 /nfs/dbraw/zinc/79/69/17/922796917.db2.gz SBJUWYLIMHFNST-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCCNC1=O ZINC001382547988 922800285 /nfs/dbraw/zinc/80/02/85/922800285.db2.gz NPADCHJIAXMWCS-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCCNC1=O ZINC001382547988 922800294 /nfs/dbraw/zinc/80/02/94/922800294.db2.gz NPADCHJIAXMWCS-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1n[nH]cc1F ZINC001382548295 922801497 /nfs/dbraw/zinc/80/14/97/922801497.db2.gz ICZGCQCORBLFKH-PSASIEDQSA-N 1 1 313.333 -1.150 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382548242 922802650 /nfs/dbraw/zinc/80/26/50/922802650.db2.gz HDVMZDHVDQDXGI-LPEHRKFASA-N 1 1 315.374 -2.269 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nonc1C)[C@H]1CCNC1=O ZINC001382555090 922805402 /nfs/dbraw/zinc/80/54/02/922805402.db2.gz PAYLXZLJLRFILH-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nonc1C)[C@H]1CCNC1=O ZINC001382555090 922805417 /nfs/dbraw/zinc/80/54/17/922805417.db2.gz PAYLXZLJLRFILH-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1)[NH+]1CCCC1 ZINC001382565823 922806568 /nfs/dbraw/zinc/80/65/68/922806568.db2.gz NGXYOEMWOVTZJO-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 ZINC001382565823 922806586 /nfs/dbraw/zinc/80/65/86/922806586.db2.gz NGXYOEMWOVTZJO-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001382585477 922815095 /nfs/dbraw/zinc/81/50/95/922815095.db2.gz VXIFDSFIKOKLQE-UWVGGRQHSA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2ncn(C)n2)C1 ZINC001382626806 922823041 /nfs/dbraw/zinc/82/30/41/922823041.db2.gz AYVBGDGMBGJJEP-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1nccnc1N ZINC001382625831 922823121 /nfs/dbraw/zinc/82/31/21/922823121.db2.gz XRUQTNBYUBNMQH-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2ncn(C)n2)C1 ZINC001382626781 922823132 /nfs/dbraw/zinc/82/31/32/922823132.db2.gz AYVBGDGMBGJJEP-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn1cncn1)C1CCC1 ZINC001382634091 922824191 /nfs/dbraw/zinc/82/41/91/922824191.db2.gz XQFFOXKWNKYLIL-NSHDSACASA-N 1 1 324.385 -1.644 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001382630370 922824266 /nfs/dbraw/zinc/82/42/66/922824266.db2.gz LXBYBBBBYCNZJZ-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001382639042 922825865 /nfs/dbraw/zinc/82/58/65/922825865.db2.gz VFOBMUSWMMDKCI-SNVBAGLBSA-N 1 1 321.341 -1.854 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382893703 922841352 /nfs/dbraw/zinc/84/13/52/922841352.db2.gz KIRXTPOIFQWBMN-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001382891676 922841461 /nfs/dbraw/zinc/84/14/61/922841461.db2.gz AHLPPPYPMSURTD-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908341 922847251 /nfs/dbraw/zinc/84/72/51/922847251.db2.gz RBNZHTCDVAVXER-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908341 922847260 /nfs/dbraw/zinc/84/72/60/922847260.db2.gz RBNZHTCDVAVXER-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382952798 922855232 /nfs/dbraw/zinc/85/52/32/922855232.db2.gz LMEPRPNRGJVIRU-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)c1nnn(C)n1 ZINC001382991112 922862586 /nfs/dbraw/zinc/86/25/86/922862586.db2.gz DGCJXCIAPKMMMY-UWVGGRQHSA-N 1 1 309.374 -1.262 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ncc[nH]1 ZINC001382989968 922863314 /nfs/dbraw/zinc/86/33/14/922863314.db2.gz VIEOXBFDJOKNNN-GHMZBOCLSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382997762 922864426 /nfs/dbraw/zinc/86/44/26/922864426.db2.gz SDNFOVKLZRLULS-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO CC[NH+](CC)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001382999011 922864808 /nfs/dbraw/zinc/86/48/08/922864808.db2.gz NMNGOUYBAIPVJN-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001382999011 922864826 /nfs/dbraw/zinc/86/48/26/922864826.db2.gz NMNGOUYBAIPVJN-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382997758 922865097 /nfs/dbraw/zinc/86/50/97/922865097.db2.gz SDNFOVKLZRLULS-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382997764 922866042 /nfs/dbraw/zinc/86/60/42/922866042.db2.gz SDNFOVKLZRLULS-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001383041094 922873481 /nfs/dbraw/zinc/87/34/81/922873481.db2.gz ROGIUJUMNPDOQG-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001383089029 922881652 /nfs/dbraw/zinc/88/16/52/922881652.db2.gz UOPGXEYEXWZDFC-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001383117491 922887158 /nfs/dbraw/zinc/88/71/58/922887158.db2.gz WEZDRODPYCDFMF-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C3CC3)C2)C1 ZINC001383125552 922887260 /nfs/dbraw/zinc/88/72/60/922887260.db2.gz QPPCDVNQKPMQQS-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C3CC3)C2)C1 ZINC001383125552 922887276 /nfs/dbraw/zinc/88/72/76/922887276.db2.gz QPPCDVNQKPMQQS-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C3CC3)C2)C1 ZINC001383125557 922887433 /nfs/dbraw/zinc/88/74/33/922887433.db2.gz QPPCDVNQKPMQQS-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C3CC3)C2)C1 ZINC001383125557 922887451 /nfs/dbraw/zinc/88/74/51/922887451.db2.gz QPPCDVNQKPMQQS-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001383127359 922889715 /nfs/dbraw/zinc/88/97/15/922889715.db2.gz CBFURRQCIUHAAL-GHMZBOCLSA-N 1 1 324.385 -1.352 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001383447399 922906692 /nfs/dbraw/zinc/90/66/92/922906692.db2.gz VIPWBYMYDUUWLY-MGCOHNPYSA-N 1 1 318.341 -1.350 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683580 922915299 /nfs/dbraw/zinc/91/52/99/922915299.db2.gz LQSIEOYEOZODQN-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683580 922915307 /nfs/dbraw/zinc/91/53/07/922915307.db2.gz LQSIEOYEOZODQN-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383724072 922918410 /nfs/dbraw/zinc/91/84/10/922918410.db2.gz GCNVLTPMZWUJRA-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383724710 922918530 /nfs/dbraw/zinc/91/85/30/922918530.db2.gz KGAVJYBFLBAUQX-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857471 922932259 /nfs/dbraw/zinc/93/22/59/922932259.db2.gz GRDFYEHFULDVBK-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857471 922932266 /nfs/dbraw/zinc/93/22/66/922932266.db2.gz GRDFYEHFULDVBK-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853740 922933290 /nfs/dbraw/zinc/93/32/90/922933290.db2.gz LJICJUMHFJLUCE-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853740 922933301 /nfs/dbraw/zinc/93/33/01/922933301.db2.gz LJICJUMHFJLUCE-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001383867462 922940886 /nfs/dbraw/zinc/94/08/86/922940886.db2.gz SKFAOFSBOZILMO-QWRGUYRKSA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cccn1 ZINC001383881336 922951777 /nfs/dbraw/zinc/95/17/77/922951777.db2.gz ZNNZLPZSXYMSIX-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1ccnc1 ZINC001383890700 922959681 /nfs/dbraw/zinc/95/96/81/922959681.db2.gz HWXXQYHFTKMFJP-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383890326 922959816 /nfs/dbraw/zinc/95/98/16/922959816.db2.gz RLRQYWDVCYIJAQ-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383890326 922959828 /nfs/dbraw/zinc/95/98/28/922959828.db2.gz RLRQYWDVCYIJAQ-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1ccnc1 ZINC001383890699 922960283 /nfs/dbraw/zinc/96/02/83/922960283.db2.gz HWXXQYHFTKMFJP-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896527 922961710 /nfs/dbraw/zinc/96/17/10/922961710.db2.gz MYAXKRJAGXMNLN-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896527 922961717 /nfs/dbraw/zinc/96/17/17/922961717.db2.gz MYAXKRJAGXMNLN-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383902613 922968623 /nfs/dbraw/zinc/96/86/23/922968623.db2.gz UFUAEGXZFMZGEK-VHSXEESVSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383902609 922969467 /nfs/dbraw/zinc/96/94/67/922969467.db2.gz UFUAEGXZFMZGEK-NXEZZACHSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)COCC2CC2)C1 ZINC001383922865 922975845 /nfs/dbraw/zinc/97/58/45/922975845.db2.gz CERQGVOHCPHCDT-CHWSQXEVSA-N 1 1 313.398 -1.042 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001383916706 922976254 /nfs/dbraw/zinc/97/62/54/922976254.db2.gz CJDAUSWPVYMAJU-DGCLKSJQSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)COCC(F)F)C1 ZINC001383931230 922981681 /nfs/dbraw/zinc/98/16/81/922981681.db2.gz ZAHCISCGQZYWCR-UWVGGRQHSA-N 1 1 323.340 -1.187 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001383929917 922982402 /nfs/dbraw/zinc/98/24/02/922982402.db2.gz VGLNCGFJDGPEBZ-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)COCC(F)F)C1 ZINC001383931232 922982710 /nfs/dbraw/zinc/98/27/10/922982710.db2.gz ZAHCISCGQZYWCR-ZJUUUORDSA-N 1 1 323.340 -1.187 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001383937240 922985093 /nfs/dbraw/zinc/98/50/93/922985093.db2.gz CEZNZDLKRZCRJS-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001383970950 922998847 /nfs/dbraw/zinc/99/88/47/922998847.db2.gz AZKIHDFJVZOWBE-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1 ZINC001383971703 922999269 /nfs/dbraw/zinc/99/92/69/922999269.db2.gz VHAICYXFVLMIAL-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383980776 923005098 /nfs/dbraw/zinc/00/50/98/923005098.db2.gz IFFLXWYZAIIGBI-NWDGAFQWSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1nncc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001383989009 923010204 /nfs/dbraw/zinc/01/02/04/923010204.db2.gz QMBMPAIHHJTHIJ-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001383988849 923011194 /nfs/dbraw/zinc/01/11/94/923011194.db2.gz YVHCUPHFJKAKJO-GARJFASQSA-N 1 1 312.370 -2.048 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001383993847 923015055 /nfs/dbraw/zinc/01/50/55/923015055.db2.gz QJCFPFLIDSKFLZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993847 923015067 /nfs/dbraw/zinc/01/50/67/923015067.db2.gz QJCFPFLIDSKFLZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993847 923015083 /nfs/dbraw/zinc/01/50/83/923015083.db2.gz QJCFPFLIDSKFLZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993847 923015092 /nfs/dbraw/zinc/01/50/92/923015092.db2.gz QJCFPFLIDSKFLZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993847 923015104 /nfs/dbraw/zinc/01/51/04/923015104.db2.gz QJCFPFLIDSKFLZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001383996632 923016843 /nfs/dbraw/zinc/01/68/43/923016843.db2.gz GHDZBOORNCGCSU-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001383996632 923016861 /nfs/dbraw/zinc/01/68/61/923016861.db2.gz GHDZBOORNCGCSU-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001384008358 923021303 /nfs/dbraw/zinc/02/13/03/923021303.db2.gz IFPWENOHCYYFMT-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001384008370 923021780 /nfs/dbraw/zinc/02/17/80/923021780.db2.gz IFPWENOHCYYFMT-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384014473 923027183 /nfs/dbraw/zinc/02/71/83/923027183.db2.gz RGKTXXGFLXXMHJ-NXEZZACHSA-N 1 1 315.374 -2.399 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O ZINC001384022401 923028827 /nfs/dbraw/zinc/02/88/27/923028827.db2.gz XHKNNOCHGPJDBV-NXEZZACHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1ccn(C)n1 ZINC001384021736 923030023 /nfs/dbraw/zinc/03/00/23/923030023.db2.gz MTSCRXCUPPRPJH-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001384025107 923031104 /nfs/dbraw/zinc/03/11/04/923031104.db2.gz HHWLNDIULIUYPC-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001384050516 923041430 /nfs/dbraw/zinc/04/14/30/923041430.db2.gz BRMRJSQDLZBUDT-CHWSQXEVSA-N 1 1 323.397 -1.020 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)CNC(N)=O)C[C@H]1C ZINC001384084209 923043674 /nfs/dbraw/zinc/04/36/74/923043674.db2.gz ASPSSBPGEMAUOT-MWLCHTKSSA-N 1 1 322.369 -1.035 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384176167 923047175 /nfs/dbraw/zinc/04/71/75/923047175.db2.gz IAENRKQGGDERAM-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001384203269 923057422 /nfs/dbraw/zinc/05/74/22/923057422.db2.gz XHQSCBJOBAMNHO-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cn(C)nn1 ZINC001384221731 923063011 /nfs/dbraw/zinc/06/30/11/923063011.db2.gz FOWKSHAGNFRSAZ-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCOCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384225865 923068049 /nfs/dbraw/zinc/06/80/49/923068049.db2.gz PHMOGQUZLAGTBQ-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001384414987 923090401 /nfs/dbraw/zinc/09/04/01/923090401.db2.gz XGDBPBQWICUQTJ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001384415004 923092040 /nfs/dbraw/zinc/09/20/40/923092040.db2.gz XGDBPBQWICUQTJ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)CNC(N)=O)C1 ZINC001384440833 923093403 /nfs/dbraw/zinc/09/34/03/923093403.db2.gz HZTAKGVXVOSGRF-VQXHTEKXSA-N 1 1 311.386 -1.146 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001384713258 923098508 /nfs/dbraw/zinc/09/85/08/923098508.db2.gz NFIDWNSTOHWJHJ-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001384726135 923104096 /nfs/dbraw/zinc/10/40/96/923104096.db2.gz VBJIIKFAXQGHAN-YRGRVCCFSA-N 1 1 324.381 -1.104 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001384728945 923105598 /nfs/dbraw/zinc/10/55/98/923105598.db2.gz HKOQZDPBTLSQFE-GHMZBOCLSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001384728945 923105607 /nfs/dbraw/zinc/10/56/07/923105607.db2.gz HKOQZDPBTLSQFE-GHMZBOCLSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001384728945 923105617 /nfs/dbraw/zinc/10/56/17/923105617.db2.gz HKOQZDPBTLSQFE-GHMZBOCLSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001384726974 923107166 /nfs/dbraw/zinc/10/71/66/923107166.db2.gz GMPDJGFYYUXBPT-GHMZBOCLSA-N 1 1 310.358 -1.554 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001384733441 923108963 /nfs/dbraw/zinc/10/89/63/923108963.db2.gz PGMKBSNDVCJPCG-GHMZBOCLSA-N 1 1 311.342 -1.287 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1O ZINC001384742339 923109191 /nfs/dbraw/zinc/10/91/91/923109191.db2.gz ILEAUVILDBQRJU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O ZINC001384742339 923109200 /nfs/dbraw/zinc/10/92/00/923109200.db2.gz ILEAUVILDBQRJU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O ZINC001384742339 923109207 /nfs/dbraw/zinc/10/92/07/923109207.db2.gz ILEAUVILDBQRJU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001384744744 923111510 /nfs/dbraw/zinc/11/15/10/923111510.db2.gz JPIMNFSZJDWFCK-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001384744744 923111548 /nfs/dbraw/zinc/11/15/48/923111548.db2.gz JPIMNFSZJDWFCK-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001384744744 923111560 /nfs/dbraw/zinc/11/15/60/923111560.db2.gz JPIMNFSZJDWFCK-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001384819393 923126061 /nfs/dbraw/zinc/12/60/61/923126061.db2.gz SFCIBRKKNYZOQE-NEPJUHHUSA-N 1 1 323.397 -1.020 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001384831880 923128607 /nfs/dbraw/zinc/12/86/07/923128607.db2.gz LWHUILSTQPEWIL-ZJUUUORDSA-N 1 1 310.358 -2.013 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001384827390 923130265 /nfs/dbraw/zinc/13/02/65/923130265.db2.gz OKLAXEDZEJUNOA-NEPJUHHUSA-N 1 1 324.385 -1.542 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001384833034 923131542 /nfs/dbraw/zinc/13/15/42/923131542.db2.gz VUCLJEMPDOMKLT-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001385119243 923145121 /nfs/dbraw/zinc/14/51/21/923145121.db2.gz MYATUSXVCKDRKC-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001385119243 923145138 /nfs/dbraw/zinc/14/51/38/923145138.db2.gz MYATUSXVCKDRKC-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001385119243 923145146 /nfs/dbraw/zinc/14/51/46/923145146.db2.gz MYATUSXVCKDRKC-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001385119243 923145152 /nfs/dbraw/zinc/14/51/52/923145152.db2.gz MYATUSXVCKDRKC-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001385119243 923145162 /nfs/dbraw/zinc/14/51/62/923145162.db2.gz MYATUSXVCKDRKC-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001385119241 923146689 /nfs/dbraw/zinc/14/66/89/923146689.db2.gz MYATUSXVCKDRKC-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001385119241 923146702 /nfs/dbraw/zinc/14/67/02/923146702.db2.gz MYATUSXVCKDRKC-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001385119241 923146708 /nfs/dbraw/zinc/14/67/08/923146708.db2.gz MYATUSXVCKDRKC-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001385119241 923146717 /nfs/dbraw/zinc/14/67/17/923146717.db2.gz MYATUSXVCKDRKC-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001385119241 923146729 /nfs/dbraw/zinc/14/67/29/923146729.db2.gz MYATUSXVCKDRKC-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001385133643 923148254 /nfs/dbraw/zinc/14/82/54/923148254.db2.gz ATPZMKMFPGVYLB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001385154173 923152094 /nfs/dbraw/zinc/15/20/94/923152094.db2.gz GCNVZKZLMUZINO-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001385280099 923159702 /nfs/dbraw/zinc/15/97/02/923159702.db2.gz QYDLMGXGMGFLGK-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CCNC(N)=O)CC2)C1 ZINC001385266548 923160082 /nfs/dbraw/zinc/16/00/82/923160082.db2.gz NHKCOHMPZAZXPY-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC001385499555 923174311 /nfs/dbraw/zinc/17/43/11/923174311.db2.gz MXCQEMDSKZZYNH-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC001385578217 923183182 /nfs/dbraw/zinc/18/31/82/923183182.db2.gz JOKLOSKOUYRDNL-WDEREUQCSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC001385578209 923184823 /nfs/dbraw/zinc/18/48/23/923184823.db2.gz JOKLOSKOUYRDNL-QWRGUYRKSA-N 1 1 323.397 -1.001 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001385588549 923186657 /nfs/dbraw/zinc/18/66/57/923186657.db2.gz OSUISGUFZIYCJT-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001385613619 923188537 /nfs/dbraw/zinc/18/85/37/923188537.db2.gz KYWWRNCIOFTERA-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622587 923188785 /nfs/dbraw/zinc/18/87/85/923188785.db2.gz PJVHKNDJRZYDBK-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622587 923188796 /nfs/dbraw/zinc/18/87/96/923188796.db2.gz PJVHKNDJRZYDBK-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](NC(=O)CNC(N)=O)C1CC1 ZINC001385742660 923200315 /nfs/dbraw/zinc/20/03/15/923200315.db2.gz GPOPMOXXYAYTFE-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](NC(=O)CNC(N)=O)C2CC2)C1 ZINC001385731210 923201745 /nfs/dbraw/zinc/20/17/45/923201745.db2.gz VQWUKANYKSDMGS-QWRGUYRKSA-N 1 1 311.386 -1.383 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001385848559 923209623 /nfs/dbraw/zinc/20/96/23/923209623.db2.gz ZTSZMEMTYWAAJZ-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001385930883 923214088 /nfs/dbraw/zinc/21/40/88/923214088.db2.gz HZSHZIYKOIKVRN-WDEREUQCSA-N 1 1 321.385 -1.214 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001385930879 923215219 /nfs/dbraw/zinc/21/52/19/923215219.db2.gz HZSHZIYKOIKVRN-QWRGUYRKSA-N 1 1 321.385 -1.214 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385958092 923216564 /nfs/dbraw/zinc/21/65/64/923216564.db2.gz RIMRDVMAXRTKOR-DCAQKATOSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385935827 923217026 /nfs/dbraw/zinc/21/70/26/923217026.db2.gz QGCMBFFHTWHGJG-NAKRPEOUSA-N 1 1 311.386 -1.242 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385963135 923217797 /nfs/dbraw/zinc/21/77/97/923217797.db2.gz XDBYORZVVJWXIU-DCAQKATOSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385936329 923217921 /nfs/dbraw/zinc/21/79/21/923217921.db2.gz DFDPVNWUNRPETH-CKYFFXLPSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386001691 923219867 /nfs/dbraw/zinc/21/98/67/923219867.db2.gz QGCMBFFHTWHGJG-ZRUFSTJUSA-N 1 1 311.386 -1.242 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001385980736 923221236 /nfs/dbraw/zinc/22/12/36/923221236.db2.gz CIPWKEBNXCGVQA-PHIMTYICSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386077315 923225093 /nfs/dbraw/zinc/22/50/93/923225093.db2.gz QANLDQPTGMCWRY-CXTNEJHOSA-N 1 1 322.409 -1.011 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001386062008 923226501 /nfs/dbraw/zinc/22/65/01/923226501.db2.gz SUKRBVJOHOSPPK-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC001386104316 923229139 /nfs/dbraw/zinc/22/91/39/923229139.db2.gz NJUMIUURAKBELW-SRRSOLGSSA-N 1 1 323.397 -1.419 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001386123759 923231057 /nfs/dbraw/zinc/23/10/57/923231057.db2.gz KURPGAZJPUKFAZ-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386162985 923238068 /nfs/dbraw/zinc/23/80/68/923238068.db2.gz WEHJUIUABAZCFJ-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386162985 923238077 /nfs/dbraw/zinc/23/80/77/923238077.db2.gz WEHJUIUABAZCFJ-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001386190097 923242178 /nfs/dbraw/zinc/24/21/78/923242178.db2.gz OCPGSASFEIWELC-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001386211656 923244702 /nfs/dbraw/zinc/24/47/02/923244702.db2.gz RDDSQNRIRZKSLM-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001386211656 923244712 /nfs/dbraw/zinc/24/47/12/923244712.db2.gz RDDSQNRIRZKSLM-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001386283304 923252462 /nfs/dbraw/zinc/25/24/62/923252462.db2.gz OEKDKIJNSZCRSA-MRVPVSSYSA-N 1 1 306.330 -1.350 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CS(C)(=O)=O ZINC001386285432 923253172 /nfs/dbraw/zinc/25/31/72/923253172.db2.gz BMWYUIOIKRZFTC-GMTAPVOTSA-N 1 1 319.427 -1.008 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001386308442 923255688 /nfs/dbraw/zinc/25/56/88/923255688.db2.gz GPAONFHWWCJFQW-GARJFASQSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](CNC(=O)CCCC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386341764 923257162 /nfs/dbraw/zinc/25/71/62/923257162.db2.gz WKSFQSUUVVDBHR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)CCCC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386341764 923257177 /nfs/dbraw/zinc/25/71/77/923257177.db2.gz WKSFQSUUVVDBHR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386456171 923271868 /nfs/dbraw/zinc/27/18/68/923271868.db2.gz UCKDYIGKJYRVBX-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386456171 923271880 /nfs/dbraw/zinc/27/18/80/923271880.db2.gz UCKDYIGKJYRVBX-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386490200 923272914 /nfs/dbraw/zinc/27/29/14/923272914.db2.gz PAOMOHOGMQTLMX-MEWQQHAOSA-N 1 1 324.381 -1.133 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386502127 923276453 /nfs/dbraw/zinc/27/64/53/923276453.db2.gz QYTVNAWYUQJCRV-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001386561148 923284708 /nfs/dbraw/zinc/28/47/08/923284708.db2.gz RZLVHRIOSAOZFA-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001386594316 923287038 /nfs/dbraw/zinc/28/70/38/923287038.db2.gz GFCKJHFWCXJVOH-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNC(=O)Cn1ncnn1 ZINC001386690393 923295867 /nfs/dbraw/zinc/29/58/67/923295867.db2.gz TUGRNKJCXSTODI-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704466 923298841 /nfs/dbraw/zinc/29/88/41/923298841.db2.gz PAPANFRLFDRHKE-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704466 923298854 /nfs/dbraw/zinc/29/88/54/923298854.db2.gz PAPANFRLFDRHKE-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001386705173 923299854 /nfs/dbraw/zinc/29/98/54/923299854.db2.gz RODBZDFHIRFDBH-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001386705173 923299868 /nfs/dbraw/zinc/29/98/68/923299868.db2.gz RODBZDFHIRFDBH-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703816 923301339 /nfs/dbraw/zinc/30/13/39/923301339.db2.gz IIWUIXQWTKDAFR-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703816 923301359 /nfs/dbraw/zinc/30/13/59/923301359.db2.gz IIWUIXQWTKDAFR-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386737451 923302554 /nfs/dbraw/zinc/30/25/54/923302554.db2.gz FRLILLMIAHYCEP-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386737451 923302566 /nfs/dbraw/zinc/30/25/66/923302566.db2.gz FRLILLMIAHYCEP-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386754298 923305590 /nfs/dbraw/zinc/30/55/90/923305590.db2.gz BGOXMQNIHGPFOR-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386754298 923305608 /nfs/dbraw/zinc/30/56/08/923305608.db2.gz BGOXMQNIHGPFOR-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828723 923314836 /nfs/dbraw/zinc/31/48/36/923314836.db2.gz VMZLKXGCQQGOQO-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828723 923314850 /nfs/dbraw/zinc/31/48/50/923314850.db2.gz VMZLKXGCQQGOQO-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cncn1C ZINC001386839754 923316614 /nfs/dbraw/zinc/31/66/14/923316614.db2.gz MTPMVIYVKPOHKL-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cncn1C ZINC001386839754 923316630 /nfs/dbraw/zinc/31/66/30/923316630.db2.gz MTPMVIYVKPOHKL-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001386862595 923320722 /nfs/dbraw/zinc/32/07/22/923320722.db2.gz RMJKHRMJWDOGGV-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386865288 923322553 /nfs/dbraw/zinc/32/25/53/923322553.db2.gz SGLLVAFFVFWBIL-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386865288 923322561 /nfs/dbraw/zinc/32/25/61/923322561.db2.gz SGLLVAFFVFWBIL-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386865289 923322764 /nfs/dbraw/zinc/32/27/64/923322764.db2.gz SGLLVAFFVFWBIL-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386865289 923322777 /nfs/dbraw/zinc/32/27/77/923322777.db2.gz SGLLVAFFVFWBIL-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001386892576 923324371 /nfs/dbraw/zinc/32/43/71/923324371.db2.gz QJTGQYUTOXSXRQ-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001386888980 923325282 /nfs/dbraw/zinc/32/52/82/923325282.db2.gz LNLJZJYUZFVWIB-MNOVXSKESA-N 1 1 311.386 -1.464 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001386890514 923325985 /nfs/dbraw/zinc/32/59/85/923325985.db2.gz PAXMTMURPDBOTP-JTQLQIEISA-N 1 1 310.358 -1.490 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001386945029 923332886 /nfs/dbraw/zinc/33/28/86/923332886.db2.gz KDFGGFICHFPNNI-IEBDPFPHSA-N 1 1 307.354 -1.066 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001387035797 923345760 /nfs/dbraw/zinc/34/57/60/923345760.db2.gz LUHXONOPFAQKRK-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001387037624 923349240 /nfs/dbraw/zinc/34/92/40/923349240.db2.gz XHHRYCYPXPCSFQ-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001387077775 923353908 /nfs/dbraw/zinc/35/39/08/923353908.db2.gz VCJYMUOPHHULJW-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001387179088 923363687 /nfs/dbraw/zinc/36/36/87/923363687.db2.gz VXJJKCLPUWVFNR-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001387179088 923363703 /nfs/dbraw/zinc/36/37/03/923363703.db2.gz VXJJKCLPUWVFNR-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387188689 923364588 /nfs/dbraw/zinc/36/45/88/923364588.db2.gz IHXDNWSTIJCAIK-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387188689 923364601 /nfs/dbraw/zinc/36/46/01/923364601.db2.gz IHXDNWSTIJCAIK-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387188687 923365322 /nfs/dbraw/zinc/36/53/22/923365322.db2.gz IHXDNWSTIJCAIK-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387188687 923365332 /nfs/dbraw/zinc/36/53/32/923365332.db2.gz IHXDNWSTIJCAIK-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001387365758 923374856 /nfs/dbraw/zinc/37/48/56/923374856.db2.gz YFONWLAJUXHMNS-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)NCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001387516292 923381781 /nfs/dbraw/zinc/38/17/81/923381781.db2.gz SJSRUXTYYJWONP-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1 ZINC001387524722 923383451 /nfs/dbraw/zinc/38/34/51/923383451.db2.gz ZOQYCBRZUNAKBA-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387627285 923385581 /nfs/dbraw/zinc/38/55/81/923385581.db2.gz PGCHGEPYXKGHIN-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387627285 923385595 /nfs/dbraw/zinc/38/55/95/923385595.db2.gz PGCHGEPYXKGHIN-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1ccc(=O)[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387625074 923386978 /nfs/dbraw/zinc/38/69/78/923386978.db2.gz WDMCFWQNTSHULF-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1ccc(=O)[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387625074 923386987 /nfs/dbraw/zinc/38/69/87/923386987.db2.gz WDMCFWQNTSHULF-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccnnc1 ZINC001387674983 923391393 /nfs/dbraw/zinc/39/13/93/923391393.db2.gz QCAIHZBOEGLPGR-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccnnc1 ZINC001387674983 923391403 /nfs/dbraw/zinc/39/14/03/923391403.db2.gz QCAIHZBOEGLPGR-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccnnc1 ZINC001387674981 923391524 /nfs/dbraw/zinc/39/15/24/923391524.db2.gz QCAIHZBOEGLPGR-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccnnc1 ZINC001387674981 923391539 /nfs/dbraw/zinc/39/15/39/923391539.db2.gz QCAIHZBOEGLPGR-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387689749 923393135 /nfs/dbraw/zinc/39/31/35/923393135.db2.gz GMCXKUYRGVQNRH-LLVKDONJSA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387689749 923393151 /nfs/dbraw/zinc/39/31/51/923393151.db2.gz GMCXKUYRGVQNRH-LLVKDONJSA-N 1 1 324.385 -1.479 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CS(C)(=O)=O)C1 ZINC001387697177 923397676 /nfs/dbraw/zinc/39/76/76/923397676.db2.gz GMCRHRXRVUJVLD-UHFFFAOYSA-N 1 1 314.367 -1.437 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387707338 923398864 /nfs/dbraw/zinc/39/88/64/923398864.db2.gz MSZQOUPSVNHTKV-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387707338 923398876 /nfs/dbraw/zinc/39/88/76/923398876.db2.gz MSZQOUPSVNHTKV-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001387734724 923406771 /nfs/dbraw/zinc/40/67/71/923406771.db2.gz UODWNRUZOCIOQS-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001387742167 923408469 /nfs/dbraw/zinc/40/84/69/923408469.db2.gz ALZSHVMEIIJGQT-UHFFFAOYSA-N 1 1 320.415 -1.797 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CN(C)CCO1 ZINC001387751814 923410857 /nfs/dbraw/zinc/41/08/57/923410857.db2.gz MQVWZFKDUYLUMK-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CN(C)CCO1 ZINC001387751816 923411055 /nfs/dbraw/zinc/41/10/55/923411055.db2.gz MQVWZFKDUYLUMK-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001387757452 923414459 /nfs/dbraw/zinc/41/44/59/923414459.db2.gz LVDWAGGGRMMFTI-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001387768171 923418423 /nfs/dbraw/zinc/41/84/23/923418423.db2.gz WALMDFVCWVZLOB-LLVKDONJSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001387901750 923439347 /nfs/dbraw/zinc/43/93/47/923439347.db2.gz JDAGJBXXUBRWGM-LLVKDONJSA-N 1 1 320.353 -1.552 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001387890949 923441542 /nfs/dbraw/zinc/44/15/42/923441542.db2.gz KKWNKNIZCHDFMY-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001387908435 923443584 /nfs/dbraw/zinc/44/35/84/923443584.db2.gz FMUFQEJCEBIJDW-SNVBAGLBSA-N 1 1 309.326 -1.125 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1c[nH+]cc1C ZINC001388013145 923454539 /nfs/dbraw/zinc/45/45/39/923454539.db2.gz YQNRBONBIGCGRL-NSHDSACASA-N 1 1 320.357 -1.111 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001388386195 923475203 /nfs/dbraw/zinc/47/52/03/923475203.db2.gz GUHWEXJFZKBUCQ-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388453582 923484894 /nfs/dbraw/zinc/48/48/94/923484894.db2.gz ZMSOYAJCPNLEJK-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388453582 923484901 /nfs/dbraw/zinc/48/49/01/923484901.db2.gz ZMSOYAJCPNLEJK-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCCN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388581067 923490226 /nfs/dbraw/zinc/49/02/26/923490226.db2.gz FCULPNVYWLJECR-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001388667790 923492005 /nfs/dbraw/zinc/49/20/05/923492005.db2.gz LMDXQSRPLMLGOD-DTORHVGOSA-N 1 1 311.346 -1.450 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001388664717 923492875 /nfs/dbraw/zinc/49/28/75/923492875.db2.gz YVCDZMPGOBHFFR-IEBDPFPHSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775882 923497892 /nfs/dbraw/zinc/49/78/92/923497892.db2.gz RQKXQCRHUANSEB-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775882 923497898 /nfs/dbraw/zinc/49/78/98/923497898.db2.gz RQKXQCRHUANSEB-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001388776583 923498745 /nfs/dbraw/zinc/49/87/45/923498745.db2.gz MRDLLUMQXWSCLW-NSHDSACASA-N 1 1 312.370 -1.123 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001388776583 923498755 /nfs/dbraw/zinc/49/87/55/923498755.db2.gz MRDLLUMQXWSCLW-NSHDSACASA-N 1 1 312.370 -1.123 20 0 DAADMO CCO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001388758891 923498969 /nfs/dbraw/zinc/49/89/69/923498969.db2.gz FLJPCDOAYSOGAB-ZYHUDNBSSA-N 1 1 309.370 -1.109 20 0 DAADMO C[C@@H]1C[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CO1 ZINC001388763938 923499115 /nfs/dbraw/zinc/49/91/15/923499115.db2.gz GSXFQPWTRNBTKB-BDAKNGLRSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1)C(N)=O ZINC001388760333 923499386 /nfs/dbraw/zinc/49/93/86/923499386.db2.gz DUMGVXUVLMCIKI-WPRPVWTQSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388765680 923499516 /nfs/dbraw/zinc/49/95/16/923499516.db2.gz DIZPFCGENFAXKR-WPRPVWTQSA-N 1 1 323.353 -1.202 20 0 DAADMO Cn1cc(CC(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)cn1 ZINC001388774179 923500060 /nfs/dbraw/zinc/50/00/60/923500060.db2.gz MBKSUOSHEFAUFH-CYBMUJFWSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1cc(CC(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)cn1 ZINC001388774179 923500067 /nfs/dbraw/zinc/50/00/67/923500067.db2.gz MBKSUOSHEFAUFH-CYBMUJFWSA-N 1 1 323.397 -1.267 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778318 923500413 /nfs/dbraw/zinc/50/04/13/923500413.db2.gz NSRHWQGWZSENIY-NEPJUHHUSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778318 923500423 /nfs/dbraw/zinc/50/04/23/923500423.db2.gz NSRHWQGWZSENIY-NEPJUHHUSA-N 1 1 324.385 -1.390 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001388775644 923500561 /nfs/dbraw/zinc/50/05/61/923500561.db2.gz IMCOCZNSPOYOHL-ZDUSSCGKSA-N 1 1 301.387 -1.210 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1)S(C)(=O)=O ZINC001388786821 923502117 /nfs/dbraw/zinc/50/21/17/923502117.db2.gz MNPMXNIOTCCHRG-NEPJUHHUSA-N 1 1 319.427 -1.350 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001388787879 923502278 /nfs/dbraw/zinc/50/22/78/923502278.db2.gz OFEIOCNAKBNNMX-WOPDTQHZSA-N 1 1 323.397 -1.416 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C1 ZINC001388784237 923503177 /nfs/dbraw/zinc/50/31/77/923503177.db2.gz CLXDDKHTMKVJLH-BDAKNGLRSA-N 1 1 321.341 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2C1 ZINC001388784237 923503189 /nfs/dbraw/zinc/50/31/89/923503189.db2.gz CLXDDKHTMKVJLH-BDAKNGLRSA-N 1 1 321.341 -1.607 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001388799414 923503581 /nfs/dbraw/zinc/50/35/81/923503581.db2.gz QDTPFUYRTMDGLY-WOPDTQHZSA-N 1 1 323.397 -1.286 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001388819161 923504787 /nfs/dbraw/zinc/50/47/87/923504787.db2.gz DTCIEHKSADVALA-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001388801034 923504808 /nfs/dbraw/zinc/50/48/08/923504808.db2.gz VSVOECVMPTZROQ-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001388801034 923504818 /nfs/dbraw/zinc/50/48/18/923504818.db2.gz VSVOECVMPTZROQ-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)Cn2cnnn2)CC[N@H+]1C ZINC001388965210 923510824 /nfs/dbraw/zinc/51/08/24/923510824.db2.gz YJENVGJRVVBOHC-VXGBXAGGSA-N 1 1 323.401 -1.070 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001389037536 923514377 /nfs/dbraw/zinc/51/43/77/923514377.db2.gz KAJLOWXHMTWOLZ-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001389037536 923514390 /nfs/dbraw/zinc/51/43/90/923514390.db2.gz KAJLOWXHMTWOLZ-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001389044768 923516919 /nfs/dbraw/zinc/51/69/19/923516919.db2.gz PMKNQLHKFJPKTA-AAEUAGOBSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cncn2)C1 ZINC001389056576 923519352 /nfs/dbraw/zinc/51/93/52/923519352.db2.gz DAOJGOPGDOXYJH-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2cnnn2)C1 ZINC001389061833 923523363 /nfs/dbraw/zinc/52/33/63/923523363.db2.gz MVJAQDWOPLBPRW-VHSXEESVSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cnnn2)C1 ZINC001389061830 923524381 /nfs/dbraw/zinc/52/43/81/923524381.db2.gz MVJAQDWOPLBPRW-UWVGGRQHSA-N 1 1 311.346 -2.782 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001389068399 923528882 /nfs/dbraw/zinc/52/88/82/923528882.db2.gz YPBVORPIZRZCKW-NSHDSACASA-N 1 1 324.337 -1.327 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001389068396 923529255 /nfs/dbraw/zinc/52/92/55/923529255.db2.gz YPBVORPIZRZCKW-LLVKDONJSA-N 1 1 324.337 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001389070721 923531269 /nfs/dbraw/zinc/53/12/69/923531269.db2.gz GMGKNZNKEKDVSC-NXEZZACHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)COCC2CC2)C1 ZINC001389071637 923531558 /nfs/dbraw/zinc/53/15/58/923531558.db2.gz QLIQVACNIHCSDM-OLZOCXBDSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072907 923534574 /nfs/dbraw/zinc/53/45/74/923534574.db2.gz UPJORBKHQKNXQM-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072907 923534582 /nfs/dbraw/zinc/53/45/82/923534582.db2.gz UPJORBKHQKNXQM-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1nccnc1N ZINC001389076606 923535789 /nfs/dbraw/zinc/53/57/89/923535789.db2.gz PGDFZVIVARCYEF-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1nccnc1N ZINC001389076604 923536672 /nfs/dbraw/zinc/53/66/72/923536672.db2.gz PGDFZVIVARCYEF-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001389078176 923537951 /nfs/dbraw/zinc/53/79/51/923537951.db2.gz PDMFQZUHXRFAGS-GHMZBOCLSA-N 1 1 323.353 -1.937 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080455 923538706 /nfs/dbraw/zinc/53/87/06/923538706.db2.gz UPQOBFHKNOARBZ-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080455 923538717 /nfs/dbraw/zinc/53/87/17/923538717.db2.gz UPQOBFHKNOARBZ-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001389080438 923539012 /nfs/dbraw/zinc/53/90/12/923539012.db2.gz RGUSICMLQOQCRV-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081304 923539500 /nfs/dbraw/zinc/53/95/00/923539500.db2.gz WVJDDJIILFZLCR-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081304 923539516 /nfs/dbraw/zinc/53/95/16/923539516.db2.gz WVJDDJIILFZLCR-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081306 923540076 /nfs/dbraw/zinc/54/00/76/923540076.db2.gz WVJDDJIILFZLCR-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081306 923540092 /nfs/dbraw/zinc/54/00/92/923540092.db2.gz WVJDDJIILFZLCR-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2csnn2)C1 ZINC001389091642 923546105 /nfs/dbraw/zinc/54/61/05/923546105.db2.gz CWPKGJCGOYARSR-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO CCC[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389095901 923548705 /nfs/dbraw/zinc/54/87/05/923548705.db2.gz ILJQNSUBLGZGPZ-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CCC[NH+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389095901 923548714 /nfs/dbraw/zinc/54/87/14/923548714.db2.gz ILJQNSUBLGZGPZ-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001389095370 923548756 /nfs/dbraw/zinc/54/87/56/923548756.db2.gz KHGPFFHVYRDLGL-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)CC[N@@H+]1C ZINC001389095370 923548766 /nfs/dbraw/zinc/54/87/66/923548766.db2.gz KHGPFFHVYRDLGL-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)CC[N@H+]1C ZINC001389095370 923548775 /nfs/dbraw/zinc/54/87/75/923548775.db2.gz KHGPFFHVYRDLGL-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001389094578 923548841 /nfs/dbraw/zinc/54/88/41/923548841.db2.gz HMIRBIVRLWDGLE-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001389109881 923558318 /nfs/dbraw/zinc/55/83/18/923558318.db2.gz UFTMHMGDMAMWHJ-GXSJLCMTSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001389115515 923560987 /nfs/dbraw/zinc/56/09/87/923560987.db2.gz ZYAFPSCTNYBKLV-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115515 923560997 /nfs/dbraw/zinc/56/09/97/923560997.db2.gz ZYAFPSCTNYBKLV-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115515 923561004 /nfs/dbraw/zinc/56/10/04/923561004.db2.gz ZYAFPSCTNYBKLV-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001389118319 923562405 /nfs/dbraw/zinc/56/24/05/923562405.db2.gz XUIYIOQCXKUFNB-NXEZZACHSA-N 1 1 324.341 -2.534 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001389119568 923562836 /nfs/dbraw/zinc/56/28/36/923562836.db2.gz RMAXQGADEQIUHU-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389158764 923571920 /nfs/dbraw/zinc/57/19/20/923571920.db2.gz CKWOFJUTVXIMPZ-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389158764 923571930 /nfs/dbraw/zinc/57/19/30/923571930.db2.gz CKWOFJUTVXIMPZ-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389161376 923573724 /nfs/dbraw/zinc/57/37/24/923573724.db2.gz XMPBBPZMDAMJHJ-ZJUUUORDSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389161376 923573734 /nfs/dbraw/zinc/57/37/34/923573734.db2.gz XMPBBPZMDAMJHJ-ZJUUUORDSA-N 1 1 310.358 -1.620 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001389168031 923574285 /nfs/dbraw/zinc/57/42/85/923574285.db2.gz LLKSRZWEVSYRKH-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001389168031 923574295 /nfs/dbraw/zinc/57/42/95/923574295.db2.gz LLKSRZWEVSYRKH-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)CCNC(N)=O ZINC001389178482 923576848 /nfs/dbraw/zinc/57/68/48/923576848.db2.gz JWXMCXYLFZYJNK-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001389174441 923577511 /nfs/dbraw/zinc/57/75/11/923577511.db2.gz OGGMKNBJEQNWAW-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001389174441 923577518 /nfs/dbraw/zinc/57/75/18/923577518.db2.gz OGGMKNBJEQNWAW-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001389190652 923579527 /nfs/dbraw/zinc/57/95/27/923579527.db2.gz BTYAPGOWCRCCCC-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001389207935 923581887 /nfs/dbraw/zinc/58/18/87/923581887.db2.gz KDLMDIYIEPHVLF-UHFFFAOYSA-N 1 1 320.353 -1.281 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001389212239 923584307 /nfs/dbraw/zinc/58/43/07/923584307.db2.gz QXBADTHUAQESGP-VIFPVBQESA-N 1 1 318.399 -2.186 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001389236460 923587819 /nfs/dbraw/zinc/58/78/19/923587819.db2.gz QVTUMNRWYUBICN-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001389280625 923594599 /nfs/dbraw/zinc/59/45/99/923594599.db2.gz ZMQLOLFEUBYROG-IEBDPFPHSA-N 1 1 307.354 -1.066 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1ncnn1 ZINC001389361666 923606755 /nfs/dbraw/zinc/60/67/55/923606755.db2.gz LNHVESCBACLVCS-HBNTYKKESA-N 1 1 309.374 -1.366 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001389353615 923606811 /nfs/dbraw/zinc/60/68/11/923606811.db2.gz GGPHMWKNMRVJQL-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389378961 923609726 /nfs/dbraw/zinc/60/97/26/923609726.db2.gz CAQKWCZYIIKPMK-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO CN(C(=O)CCn1cnnn1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001389364870 923610029 /nfs/dbraw/zinc/61/00/29/923610029.db2.gz XSALSWXALPSWRG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001389393447 923613055 /nfs/dbraw/zinc/61/30/55/923613055.db2.gz TWDVLDFULYLFLW-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001389451452 923625152 /nfs/dbraw/zinc/62/51/52/923625152.db2.gz JPGYTIQMQRUMLH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001389440006 923625509 /nfs/dbraw/zinc/62/55/09/923625509.db2.gz ULJBKYKJXLZMPF-NEPJUHHUSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001389440006 923625517 /nfs/dbraw/zinc/62/55/17/923625517.db2.gz ULJBKYKJXLZMPF-NEPJUHHUSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001389440015 923626006 /nfs/dbraw/zinc/62/60/06/923626006.db2.gz ULJBKYKJXLZMPF-RYUDHWBXSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001389440015 923626011 /nfs/dbraw/zinc/62/60/11/923626011.db2.gz ULJBKYKJXLZMPF-RYUDHWBXSA-N 1 1 317.411 -1.252 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001389451460 923626346 /nfs/dbraw/zinc/62/63/46/923626346.db2.gz JPGYTIQMQRUMLH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001389450301 923626534 /nfs/dbraw/zinc/62/65/34/923626534.db2.gz DQNSNWQVAIWAPW-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001389450301 923626540 /nfs/dbraw/zinc/62/65/40/923626540.db2.gz DQNSNWQVAIWAPW-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001389452885 923630234 /nfs/dbraw/zinc/63/02/34/923630234.db2.gz BFMLGDKQTTUVOX-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001389475415 923631196 /nfs/dbraw/zinc/63/11/96/923631196.db2.gz DTWMEJMKZIYQDH-NXEZZACHSA-N 1 1 318.399 -1.866 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001389475415 923631204 /nfs/dbraw/zinc/63/12/04/923631204.db2.gz DTWMEJMKZIYQDH-NXEZZACHSA-N 1 1 318.399 -1.866 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478506 923631615 /nfs/dbraw/zinc/63/16/15/923631615.db2.gz GBJFVOZCCQDZKC-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478506 923631621 /nfs/dbraw/zinc/63/16/21/923631621.db2.gz GBJFVOZCCQDZKC-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478496 923631666 /nfs/dbraw/zinc/63/16/66/923631666.db2.gz GBJFVOZCCQDZKC-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478496 923631679 /nfs/dbraw/zinc/63/16/79/923631679.db2.gz GBJFVOZCCQDZKC-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001389491712 923636014 /nfs/dbraw/zinc/63/60/14/923636014.db2.gz SPCUSISKWHYPOD-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001389512011 923638297 /nfs/dbraw/zinc/63/82/97/923638297.db2.gz UXQJVIDCPQABOL-MNOVXSKESA-N 1 1 312.370 -1.465 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001389507326 923638571 /nfs/dbraw/zinc/63/85/71/923638571.db2.gz OYUYEESDCCHLIO-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492884 923639389 /nfs/dbraw/zinc/63/93/89/923639389.db2.gz XVROWMJSOZFNTG-IUCAKERBSA-N 1 1 321.403 -2.553 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492884 923639400 /nfs/dbraw/zinc/63/94/00/923639400.db2.gz XVROWMJSOZFNTG-IUCAKERBSA-N 1 1 321.403 -2.553 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001389494979 923639648 /nfs/dbraw/zinc/63/96/48/923639648.db2.gz GTTHXVKPTNYJEG-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001389521025 923643959 /nfs/dbraw/zinc/64/39/59/923643959.db2.gz IIMAFZOUQGPCMW-AAEUAGOBSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001389526084 923645450 /nfs/dbraw/zinc/64/54/50/923645450.db2.gz OKWBCGPXAGJMPF-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389577473 923648138 /nfs/dbraw/zinc/64/81/38/923648138.db2.gz RAGYIWUAKGBTDW-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001389589545 923651053 /nfs/dbraw/zinc/65/10/53/923651053.db2.gz FALOZBAAXFYHGR-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1(NC(N)=O)CC1 ZINC001389620298 923653824 /nfs/dbraw/zinc/65/38/24/923653824.db2.gz CDBPNNFJUULYTK-MNOVXSKESA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001389642573 923661041 /nfs/dbraw/zinc/66/10/41/923661041.db2.gz COIKCAADCLQZCB-VIFPVBQESA-N 1 1 305.346 -1.065 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001389661368 923662412 /nfs/dbraw/zinc/66/24/12/923662412.db2.gz VEWCTQVIICIJNP-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001389661381 923662770 /nfs/dbraw/zinc/66/27/70/923662770.db2.gz VEWCTQVIICIJNP-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001389680961 923666002 /nfs/dbraw/zinc/66/60/02/923666002.db2.gz WXWLBDBUGXKMHK-WDEREUQCSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001389682914 923666049 /nfs/dbraw/zinc/66/60/49/923666049.db2.gz DAVXLYCWMWTBJC-UWVGGRQHSA-N 1 1 307.358 -1.527 20 0 DAADMO CCn1ncc(C[NH2+][C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001389673617 923666270 /nfs/dbraw/zinc/66/62/70/923666270.db2.gz YRMIKFRSZODCBV-VXGBXAGGSA-N 1 1 321.385 -1.036 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)CNC(=O)NC ZINC001389708271 923667781 /nfs/dbraw/zinc/66/77/81/923667781.db2.gz BWDZXWNCZPUPPV-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001389709958 923667850 /nfs/dbraw/zinc/66/78/50/923667850.db2.gz SMFXYQFKJXDMJT-UHFFFAOYSA-N 1 1 307.354 -1.098 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001389732102 923672566 /nfs/dbraw/zinc/67/25/66/923672566.db2.gz DWEUMSVYYNEQGG-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001389744279 923672700 /nfs/dbraw/zinc/67/27/00/923672700.db2.gz ISBRIMKAVBCXMR-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001389817398 923683850 /nfs/dbraw/zinc/68/38/50/923683850.db2.gz RDIQPWCMHQIRKN-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO CN1C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001389848664 923688836 /nfs/dbraw/zinc/68/88/36/923688836.db2.gz DMABBGZAQJGUHP-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001389848672 923689902 /nfs/dbraw/zinc/68/99/02/923689902.db2.gz DMABBGZAQJGUHP-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001389848676 923689956 /nfs/dbraw/zinc/68/99/56/923689956.db2.gz DMABBGZAQJGUHP-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001389877509 923692312 /nfs/dbraw/zinc/69/23/12/923692312.db2.gz VIXFXGNQYMYBFE-GUBZILKMSA-N 1 1 315.399 -1.015 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001389908560 923694828 /nfs/dbraw/zinc/69/48/28/923694828.db2.gz ATXPOMGQGXRXET-XYPYZODXSA-N 1 1 321.385 -1.041 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001389910924 923696339 /nfs/dbraw/zinc/69/63/39/923696339.db2.gz ZMDMDFAFWHZRQF-SNVBAGLBSA-N 1 1 320.353 -1.362 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001390001808 923709343 /nfs/dbraw/zinc/70/93/43/923709343.db2.gz FGNYGAWCFROVMH-TUAOUCFPSA-N 1 1 319.369 -1.158 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001390051005 923712772 /nfs/dbraw/zinc/71/27/72/923712772.db2.gz UXPHRNFQTSYGHP-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001390042784 923713819 /nfs/dbraw/zinc/71/38/19/923713819.db2.gz OSGCSJJVJHCWGJ-SDDRHHMPSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001390037037 923714309 /nfs/dbraw/zinc/71/43/09/923714309.db2.gz LYKTVBYIEPBPJA-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001390132394 923720994 /nfs/dbraw/zinc/72/09/94/923720994.db2.gz TWYHSNJEOPXCKZ-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001390132394 923721006 /nfs/dbraw/zinc/72/10/06/923721006.db2.gz TWYHSNJEOPXCKZ-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001390132397 923721103 /nfs/dbraw/zinc/72/11/03/923721103.db2.gz TWYHSNJEOPXCKZ-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001390132397 923721116 /nfs/dbraw/zinc/72/11/16/923721116.db2.gz TWYHSNJEOPXCKZ-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001390184975 923722510 /nfs/dbraw/zinc/72/25/10/923722510.db2.gz BDUHLUFZNVIOFH-PDWCTOEPSA-N 1 1 313.398 -1.629 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001390223604 923726302 /nfs/dbraw/zinc/72/63/02/923726302.db2.gz IKNNHIGJZCNEPC-OBPIAQAESA-N 1 1 311.382 -1.075 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ncnn1CCF ZINC001390340503 923728108 /nfs/dbraw/zinc/72/81/08/923728108.db2.gz HUXCBJTVTTZAIE-BDAKNGLRSA-N 1 1 315.353 -1.101 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001390379729 923731188 /nfs/dbraw/zinc/73/11/88/923731188.db2.gz LLVIKOPDSLCHON-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001390390856 923732474 /nfs/dbraw/zinc/73/24/74/923732474.db2.gz DADIYHHDJIOZFR-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001390372246 923733928 /nfs/dbraw/zinc/73/39/28/923733928.db2.gz WYQIVVOFAYFNBY-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nc(C2CC2)nn1C ZINC001390364819 923734318 /nfs/dbraw/zinc/73/43/18/923734318.db2.gz ARJNZWYMTQVKRF-VIFPVBQESA-N 1 1 319.373 -1.027 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001390397168 923734996 /nfs/dbraw/zinc/73/49/96/923734996.db2.gz JNIHDSPRHHQLBX-MRVPVSSYSA-N 1 1 306.330 -1.788 20 0 DAADMO COCC(=O)N1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001390436177 923742135 /nfs/dbraw/zinc/74/21/35/923742135.db2.gz FFDDEDSTOZAVJM-CQSZACIVSA-N 1 1 310.354 -1.082 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001390453755 923742787 /nfs/dbraw/zinc/74/27/87/923742787.db2.gz ALHBVVZGTSHOIH-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001390463975 923747904 /nfs/dbraw/zinc/74/79/04/923747904.db2.gz WGCVIXSBUCBBBP-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001390464900 923748171 /nfs/dbraw/zinc/74/81/71/923748171.db2.gz DNTGTGUGMGMLPA-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1cnns1 ZINC001390533104 923753524 /nfs/dbraw/zinc/75/35/24/923753524.db2.gz OXJHCPPIWYJVIC-SSDOTTSWSA-N 1 1 307.401 -1.318 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cn(C)nn1 ZINC001390539125 923753853 /nfs/dbraw/zinc/75/38/53/923753853.db2.gz PPUANBUADVKDEW-VIFPVBQESA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001390533982 923754171 /nfs/dbraw/zinc/75/41/71/923754171.db2.gz QHLSADDGENVHRM-SCZZXKLOSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001390533968 923754292 /nfs/dbraw/zinc/75/42/92/923754292.db2.gz QHLSADDGENVHRM-PSASIEDQSA-N 1 1 316.387 -1.899 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1cnns1 ZINC001390533105 923755585 /nfs/dbraw/zinc/75/55/85/923755585.db2.gz OXJHCPPIWYJVIC-ZETCQYMHSA-N 1 1 307.401 -1.318 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)CNC(=O)NC)C2)nn1 ZINC001390557424 923759638 /nfs/dbraw/zinc/75/96/38/923759638.db2.gz PXILLHFPDOHDST-JTQLQIEISA-N 1 1 309.374 -1.083 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001390579816 923761154 /nfs/dbraw/zinc/76/11/54/923761154.db2.gz XYZXVILXAICSBD-JTQLQIEISA-N 1 1 324.389 -1.168 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001390614049 923765459 /nfs/dbraw/zinc/76/54/59/923765459.db2.gz ILOVRWRXACQDHN-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001390633864 923768508 /nfs/dbraw/zinc/76/85/08/923768508.db2.gz FSGSUJXEEXJBIL-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652801 923768733 /nfs/dbraw/zinc/76/87/33/923768733.db2.gz JAHVIQZCBQYPKN-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652801 923768740 /nfs/dbraw/zinc/76/87/40/923768740.db2.gz JAHVIQZCBQYPKN-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1cc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001390740710 923772000 /nfs/dbraw/zinc/77/20/00/923772000.db2.gz GKSBGCWSDGZTGF-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnnn1C ZINC001390754250 923773911 /nfs/dbraw/zinc/77/39/11/923773911.db2.gz KBRULZRKSCAAPS-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001390754250 923773923 /nfs/dbraw/zinc/77/39/23/923773923.db2.gz KBRULZRKSCAAPS-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)c1 ZINC001390752783 923774171 /nfs/dbraw/zinc/77/41/71/923774171.db2.gz OFXIRHOGKHFIHD-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)c1 ZINC001390752783 923774178 /nfs/dbraw/zinc/77/41/78/923774178.db2.gz OFXIRHOGKHFIHD-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)Cn2cnnn2)C1=O ZINC001390738597 923775219 /nfs/dbraw/zinc/77/52/19/923775219.db2.gz YXQKBZFEABZWPD-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2cnnn2)C1=O ZINC001390738597 923775224 /nfs/dbraw/zinc/77/52/24/923775224.db2.gz YXQKBZFEABZWPD-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001390753202 923775255 /nfs/dbraw/zinc/77/52/55/923775255.db2.gz FHQRMRXHFJPEAC-QWRGUYRKSA-N 1 1 311.342 -1.600 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O)CS(C)(=O)=O ZINC001390753408 923775607 /nfs/dbraw/zinc/77/56/07/923775607.db2.gz IJHPQJOWAOJTOO-UWVGGRQHSA-N 1 1 322.431 -1.228 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O)CS(C)(=O)=O ZINC001390753408 923775620 /nfs/dbraw/zinc/77/56/20/923775620.db2.gz IJHPQJOWAOJTOO-UWVGGRQHSA-N 1 1 322.431 -1.228 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001390762952 923776534 /nfs/dbraw/zinc/77/65/34/923776534.db2.gz HMBCJPKTSXXGPO-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001390762952 923776551 /nfs/dbraw/zinc/77/65/51/923776551.db2.gz HMBCJPKTSXXGPO-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)S(C)(=O)=O ZINC001390761274 923777009 /nfs/dbraw/zinc/77/70/09/923777009.db2.gz KHQWTSVXDZDFQJ-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)S(C)(=O)=O ZINC001390761274 923777025 /nfs/dbraw/zinc/77/70/25/923777025.db2.gz KHQWTSVXDZDFQJ-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001390762958 923778255 /nfs/dbraw/zinc/77/82/55/923778255.db2.gz HMBCJPKTSXXGPO-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001390762958 923778260 /nfs/dbraw/zinc/77/82/60/923778260.db2.gz HMBCJPKTSXXGPO-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001390767800 923778291 /nfs/dbraw/zinc/77/82/91/923778291.db2.gz QELYDKDYZNQLLJ-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001390767800 923778300 /nfs/dbraw/zinc/77/83/00/923778300.db2.gz QELYDKDYZNQLLJ-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001390762817 923778764 /nfs/dbraw/zinc/77/87/64/923778764.db2.gz GTMDUKDYJNWCIJ-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001390762817 923778768 /nfs/dbraw/zinc/77/87/68/923778768.db2.gz GTMDUKDYJNWCIJ-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+](CCNC(=O)CCNS(C)(=O)=O)[C@@H]1CCCNC1=O ZINC001390761538 923778867 /nfs/dbraw/zinc/77/88/67/923778867.db2.gz MWLVHHBAWMUPLQ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)CCNS(C)(=O)=O)[C@@H]1CCCNC1=O ZINC001390761538 923778877 /nfs/dbraw/zinc/77/88/77/923778877.db2.gz MWLVHHBAWMUPLQ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001390796468 923780863 /nfs/dbraw/zinc/78/08/63/923780863.db2.gz UOLZXIZQSASPIK-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001390805209 923781207 /nfs/dbraw/zinc/78/12/07/923781207.db2.gz LBLNREJRPQWHMQ-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCCCS1(=O)=O ZINC001390798718 923781337 /nfs/dbraw/zinc/78/13/37/923781337.db2.gz WKTCTSDMZUDTPR-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001390795280 923781924 /nfs/dbraw/zinc/78/19/24/923781924.db2.gz FLNSMRNNSDQNFK-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001390796469 923782018 /nfs/dbraw/zinc/78/20/18/923782018.db2.gz UOLZXIZQSASPIK-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001390813504 923782987 /nfs/dbraw/zinc/78/29/87/923782987.db2.gz UMDSKMGMAUQYGC-UHFFFAOYSA-N 1 1 324.341 -1.723 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001390813504 923782993 /nfs/dbraw/zinc/78/29/93/923782993.db2.gz UMDSKMGMAUQYGC-UHFFFAOYSA-N 1 1 324.341 -1.723 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)[C@@H]1CCCNC1=O ZINC001390800380 923783166 /nfs/dbraw/zinc/78/31/66/923783166.db2.gz YVWCQMGOLCNBDO-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@@H]1CCCNC1=O ZINC001390800380 923783177 /nfs/dbraw/zinc/78/31/77/923783177.db2.gz YVWCQMGOLCNBDO-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1cccn2c1n[nH]c2=O ZINC001390839151 923783956 /nfs/dbraw/zinc/78/39/56/923783956.db2.gz QVNSHVOLSUFYPI-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cccn2c1n[nH]c2=O ZINC001390839151 923783966 /nfs/dbraw/zinc/78/39/66/923783966.db2.gz QVNSHVOLSUFYPI-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+](C)C[C@@H]1CCOC1)C(N)=O ZINC001390823303 923784439 /nfs/dbraw/zinc/78/44/39/923784439.db2.gz DDEUSZHKNTYEEN-RYUDHWBXSA-N 1 1 314.386 -1.549 20 0 DAADMO Cc1nonc1CC(=O)NCC[N@H+](C)CCN1CCNC1=O ZINC001390835896 923785055 /nfs/dbraw/zinc/78/50/55/923785055.db2.gz FUHOLISCZSGWFO-UHFFFAOYSA-N 1 1 310.358 -1.006 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCOC1 ZINC001390824885 923786041 /nfs/dbraw/zinc/78/60/41/923786041.db2.gz RHJOVGWVMZHTME-LLVKDONJSA-N 1 1 322.431 -1.533 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nc[nH]n1)C[C@H]1CCS(=O)(=O)C1 ZINC001390838786 923786991 /nfs/dbraw/zinc/78/69/91/923786991.db2.gz BRLOVICFEIZKOH-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)C[C@H]1CCS(=O)(=O)C1 ZINC001390838786 923787004 /nfs/dbraw/zinc/78/70/04/923787004.db2.gz BRLOVICFEIZKOH-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CCn1cccn1 ZINC001390862684 923790004 /nfs/dbraw/zinc/79/00/04/923790004.db2.gz VDUJFQYKWSSMFQ-NSHDSACASA-N 1 1 315.399 -1.377 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001390857496 923790170 /nfs/dbraw/zinc/79/01/70/923790170.db2.gz LJQVSYJAPZTWKG-NEPJUHHUSA-N 1 1 311.386 -1.104 20 0 DAADMO C[N@H+](CCNC(=O)c1cccc(C(N)=O)n1)[C@H]1CCNC1=O ZINC001390860630 923790389 /nfs/dbraw/zinc/79/03/89/923790389.db2.gz DIYWGJWEIQLCSF-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)[C@H]1CCNC1=O ZINC001390860630 923790400 /nfs/dbraw/zinc/79/04/00/923790400.db2.gz DIYWGJWEIQLCSF-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001390857786 923791495 /nfs/dbraw/zinc/79/14/95/923791495.db2.gz DXCXQXTWXVHOHI-JTQLQIEISA-N 1 1 323.353 -1.622 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001390857786 923791511 /nfs/dbraw/zinc/79/15/11/923791511.db2.gz DXCXQXTWXVHOHI-JTQLQIEISA-N 1 1 323.353 -1.622 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@@H]1CCNC1=O ZINC001390913779 923792342 /nfs/dbraw/zinc/79/23/42/923792342.db2.gz MMTASRFGFKSYLF-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1ncn(C)c1=O ZINC001390926563 923792749 /nfs/dbraw/zinc/79/27/49/923792749.db2.gz SBRTYOPYYYWUSY-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H]1CCOC1 ZINC001390950933 923793175 /nfs/dbraw/zinc/79/31/75/923793175.db2.gz FWNJNMBOJJTQCD-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)CCOC ZINC001390914602 923793361 /nfs/dbraw/zinc/79/33/61/923793361.db2.gz HLEFOWOCAXMAJZ-UHFFFAOYSA-N 1 1 312.370 -1.369 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)nn1)CCNS(C)(=O)=O ZINC001390894517 923793800 /nfs/dbraw/zinc/79/38/00/923793800.db2.gz DRXMHMWJYHWKNA-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)nn1)CCNS(C)(=O)=O ZINC001390894517 923793813 /nfs/dbraw/zinc/79/38/13/923793813.db2.gz DRXMHMWJYHWKNA-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC001390946001 923793920 /nfs/dbraw/zinc/79/39/20/923793920.db2.gz NRUQZAADJZWBEX-JTQLQIEISA-N 1 1 323.353 -1.725 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@H](C)C(=O)NC ZINC001390910511 923794616 /nfs/dbraw/zinc/79/46/16/923794616.db2.gz BRKARDXCGKMJCK-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@H](C)C(=O)NC ZINC001390910511 923794626 /nfs/dbraw/zinc/79/46/26/923794626.db2.gz BRKARDXCGKMJCK-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@]1(F)CCOC1)CC(=O)NC(N)=O ZINC001390963121 923796914 /nfs/dbraw/zinc/79/69/14/923796914.db2.gz SPHAFBRLAVSVKK-GFCCVEGCSA-N 1 1 304.322 -1.252 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@]1(F)CCOC1)CC(=O)NC(N)=O ZINC001390963121 923796924 /nfs/dbraw/zinc/79/69/24/923796924.db2.gz SPHAFBRLAVSVKK-GFCCVEGCSA-N 1 1 304.322 -1.252 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391029844 923797444 /nfs/dbraw/zinc/79/74/44/923797444.db2.gz LNIJRKBBVJSKBT-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnnn1)[C@@H](C)C(=O)N(C)C ZINC001390989638 923798057 /nfs/dbraw/zinc/79/80/57/923798057.db2.gz PTMLXYPRAZBMGP-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@@H](C)C(=O)N(C)C ZINC001390989638 923798065 /nfs/dbraw/zinc/79/80/65/923798065.db2.gz PTMLXYPRAZBMGP-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001391034964 923798405 /nfs/dbraw/zinc/79/84/05/923798405.db2.gz WJPNKTZGIDXFRD-NSHDSACASA-N 1 1 305.346 -1.455 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001391029594 923798816 /nfs/dbraw/zinc/79/88/16/923798816.db2.gz KEUISKNRDPHXHE-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001391029594 923798828 /nfs/dbraw/zinc/79/88/28/923798828.db2.gz KEUISKNRDPHXHE-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)[C@@H](C)C(=O)NC ZINC001391005903 923799120 /nfs/dbraw/zinc/79/91/20/923799120.db2.gz VJYALQIZHAZDGG-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)[C@@H](C)C(=O)NC ZINC001391005903 923799134 /nfs/dbraw/zinc/79/91/34/923799134.db2.gz VJYALQIZHAZDGG-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391047299 923799161 /nfs/dbraw/zinc/79/91/61/923799161.db2.gz JTVKFPZIHYGYCV-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)C[C@@H](C)O ZINC001391007952 923799605 /nfs/dbraw/zinc/79/96/05/923799605.db2.gz LIGFPIKYJAMVBD-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)C[C@@H](C)O ZINC001391007952 923799611 /nfs/dbraw/zinc/79/96/11/923799611.db2.gz LIGFPIKYJAMVBD-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001391057831 923800468 /nfs/dbraw/zinc/80/04/68/923800468.db2.gz UEIIXWNNVDGQDM-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001391074367 923800969 /nfs/dbraw/zinc/80/09/69/923800969.db2.gz WEGVLAMCMYFKQY-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n(C)n1 ZINC001391081452 923801292 /nfs/dbraw/zinc/80/12/92/923801292.db2.gz BRWMPHYMWIFWDB-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001391051370 923801382 /nfs/dbraw/zinc/80/13/82/923801382.db2.gz UFYCTHMCIDAKSV-NSHDSACASA-N 1 1 310.354 -1.088 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001391084504 923801425 /nfs/dbraw/zinc/80/14/25/923801425.db2.gz MURQLABNUOFAFD-AXFHLTTASA-N 1 1 302.375 -1.511 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCC[N@H+]1CCO ZINC001391072266 923801553 /nfs/dbraw/zinc/80/15/53/923801553.db2.gz BZDUASNHALIEIM-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CCC[N@@H+]1CCO ZINC001391072266 923801563 /nfs/dbraw/zinc/80/15/63/923801563.db2.gz BZDUASNHALIEIM-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cnn1C ZINC001391085698 923802815 /nfs/dbraw/zinc/80/28/15/923802815.db2.gz PTTIQJGWHXHBCI-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053044 923803561 /nfs/dbraw/zinc/80/35/61/923803561.db2.gz TXXRNKBOBBZSLX-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053044 923803572 /nfs/dbraw/zinc/80/35/72/923803572.db2.gz TXXRNKBOBBZSLX-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001391051336 923803609 /nfs/dbraw/zinc/80/36/09/923803609.db2.gz UFYCTHMCIDAKSV-LLVKDONJSA-N 1 1 310.354 -1.088 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001391057826 923803662 /nfs/dbraw/zinc/80/36/62/923803662.db2.gz UEIIXWNNVDGQDM-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001391107957 923804821 /nfs/dbraw/zinc/80/48/21/923804821.db2.gz CFUWGTJRRDKUJY-LLVKDONJSA-N 1 1 315.399 -1.239 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001391107957 923804833 /nfs/dbraw/zinc/80/48/33/923804833.db2.gz CFUWGTJRRDKUJY-LLVKDONJSA-N 1 1 315.399 -1.239 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001391098293 923805012 /nfs/dbraw/zinc/80/50/12/923805012.db2.gz RMTGWZGGWYDIJU-MNOVXSKESA-N 1 1 300.359 -2.203 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)OC)C1 ZINC001391089041 923805201 /nfs/dbraw/zinc/80/52/01/923805201.db2.gz QCUUAMWKJZNELB-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001391089561 923806309 /nfs/dbraw/zinc/80/63/09/923806309.db2.gz ACJVXYPEOOTZEX-LLVKDONJSA-N 1 1 313.402 -1.122 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391107650 923806352 /nfs/dbraw/zinc/80/63/52/923806352.db2.gz BXFJOMBTNIKLJB-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391088780 923806753 /nfs/dbraw/zinc/80/67/53/923806753.db2.gz FFULEBUBYJONTL-KKJSVHSVSA-N 1 1 324.381 -1.100 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001391091885 923806902 /nfs/dbraw/zinc/80/69/02/923806902.db2.gz UOUHBFLHFLLMRI-MNOVXSKESA-N 1 1 303.359 -1.212 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001391107647 923806934 /nfs/dbraw/zinc/80/69/34/923806934.db2.gz BXFJOMBTNIKLJB-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001391116836 923808440 /nfs/dbraw/zinc/80/84/40/923808440.db2.gz YZSCDVDPMJEJRR-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCN(C)C(=O)C1)CC(N)=O ZINC001391130409 923808478 /nfs/dbraw/zinc/80/84/78/923808478.db2.gz XAJKIFBNJDEKEY-UHFFFAOYSA-N 1 1 313.402 -1.926 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)CC(N)=O ZINC001391130409 923808485 /nfs/dbraw/zinc/80/84/85/923808485.db2.gz XAJKIFBNJDEKEY-UHFFFAOYSA-N 1 1 313.402 -1.926 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H](C)C(=O)NC ZINC001391134664 923808829 /nfs/dbraw/zinc/80/88/29/923808829.db2.gz GEDFTTSITFOLJB-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCN(C)C1=O ZINC001391128013 923809459 /nfs/dbraw/zinc/80/94/59/923809459.db2.gz QDHPOZXCYQNXKO-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C)C1=O ZINC001391136317 923809755 /nfs/dbraw/zinc/80/97/55/923809755.db2.gz IVERQKAIHRZFTP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001391143495 923809991 /nfs/dbraw/zinc/80/99/91/923809991.db2.gz CWLSSGSHWLJOMO-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001391143495 923809998 /nfs/dbraw/zinc/80/99/98/923809998.db2.gz CWLSSGSHWLJOMO-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CN1CCC[C@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001391152239 923810151 /nfs/dbraw/zinc/81/01/51/923810151.db2.gz ZMUNPRNRNSAVKH-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001391152239 923810157 /nfs/dbraw/zinc/81/01/57/923810157.db2.gz ZMUNPRNRNSAVKH-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+]([C@H](C)C(=O)N(C)C)C1CC1 ZINC001391166899 923811837 /nfs/dbraw/zinc/81/18/37/923811837.db2.gz IWOYHEUXRXCMLT-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+]([C@H](C)C(=O)N(C)C)C1CC1 ZINC001391166899 923811842 /nfs/dbraw/zinc/81/18/42/923811842.db2.gz IWOYHEUXRXCMLT-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001391180895 923812487 /nfs/dbraw/zinc/81/24/87/923812487.db2.gz AEYAJMMCRQKFKZ-WDEREUQCSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001391180895 923812500 /nfs/dbraw/zinc/81/25/00/923812500.db2.gz AEYAJMMCRQKFKZ-WDEREUQCSA-N 1 1 312.370 -1.654 20 0 DAADMO O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001391173635 923812618 /nfs/dbraw/zinc/81/26/18/923812618.db2.gz RDKUTLZQUCAHKR-JTQLQIEISA-N 1 1 319.383 -2.528 20 0 DAADMO O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001391173635 923812627 /nfs/dbraw/zinc/81/26/27/923812627.db2.gz RDKUTLZQUCAHKR-JTQLQIEISA-N 1 1 319.383 -2.528 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001391171011 923813171 /nfs/dbraw/zinc/81/31/71/923813171.db2.gz XFPVUMOFPQXRJD-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001391171011 923813182 /nfs/dbraw/zinc/81/31/82/923813182.db2.gz XFPVUMOFPQXRJD-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CCO)C2CC2)c(=O)n(C)c1=O ZINC001391182599 923813331 /nfs/dbraw/zinc/81/33/31/923813331.db2.gz KFLKYJGEVKBXKS-UHFFFAOYSA-N 1 1 310.354 -1.730 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001391204516 923816999 /nfs/dbraw/zinc/81/69/99/923816999.db2.gz QRCUMKQJDCBWLQ-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001391221384 923819689 /nfs/dbraw/zinc/81/96/89/923819689.db2.gz PXPRQMPHUHLTHP-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001391216176 923820396 /nfs/dbraw/zinc/82/03/96/923820396.db2.gz YFAGSGFSYAWWNP-GHMZBOCLSA-N 1 1 324.385 -1.454 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001391216176 923820412 /nfs/dbraw/zinc/82/04/12/923820412.db2.gz YFAGSGFSYAWWNP-GHMZBOCLSA-N 1 1 324.385 -1.454 20 0 DAADMO CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001391280495 923822064 /nfs/dbraw/zinc/82/20/64/923822064.db2.gz KUHXZFPXVOZIKG-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001391303068 923823523 /nfs/dbraw/zinc/82/35/23/923823523.db2.gz VZKNGSKOCCWJRR-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001391282924 923823708 /nfs/dbraw/zinc/82/37/08/923823708.db2.gz QGORSDUHPXEMMM-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001391321342 923825414 /nfs/dbraw/zinc/82/54/14/923825414.db2.gz YTQNUKMCFRZNTM-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001391321342 923825426 /nfs/dbraw/zinc/82/54/26/923825426.db2.gz YTQNUKMCFRZNTM-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO CN(CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001391315694 923825642 /nfs/dbraw/zinc/82/56/42/923825642.db2.gz ZACISLHYBCNVBV-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001391314032 923826076 /nfs/dbraw/zinc/82/60/76/923826076.db2.gz VQBFPPLBVYVIPO-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001391309484 923826180 /nfs/dbraw/zinc/82/61/80/923826180.db2.gz QCSXFVUHXAIAHM-VIFPVBQESA-N 1 1 320.357 -1.103 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001391330131 923826679 /nfs/dbraw/zinc/82/66/79/923826679.db2.gz CCHWSXPVPXZGNB-JTQLQIEISA-N 1 1 310.358 -1.803 20 0 DAADMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001391330211 923827025 /nfs/dbraw/zinc/82/70/25/923827025.db2.gz DARFFBWPRXUXGM-JTQLQIEISA-N 1 1 309.370 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001391384123 923828817 /nfs/dbraw/zinc/82/88/17/923828817.db2.gz OBQYJUSCQKGHHX-SNVBAGLBSA-N 1 1 310.395 -1.020 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001391347601 923829279 /nfs/dbraw/zinc/82/92/79/923829279.db2.gz PXRRGKLDNVEPCZ-QWRGUYRKSA-N 1 1 312.370 -1.002 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001391347970 923829470 /nfs/dbraw/zinc/82/94/70/923829470.db2.gz LKPIAMCXZIHLLD-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391346705 923830219 /nfs/dbraw/zinc/83/02/19/923830219.db2.gz DTEMTHUXYLLABR-JTQLQIEISA-N 1 1 310.358 -1.850 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001391350874 923830234 /nfs/dbraw/zinc/83/02/34/923830234.db2.gz BQSFXIAJKZCYJN-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001391347598 923830335 /nfs/dbraw/zinc/83/03/35/923830335.db2.gz PXRRGKLDNVEPCZ-GHMZBOCLSA-N 1 1 312.370 -1.002 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001391348062 923830388 /nfs/dbraw/zinc/83/03/88/923830388.db2.gz QISVWCXPCJYQRQ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391347029 923830499 /nfs/dbraw/zinc/83/04/99/923830499.db2.gz GTHHABQARGPOJN-NEPJUHHUSA-N 1 1 312.374 -1.539 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001391387644 923831612 /nfs/dbraw/zinc/83/16/12/923831612.db2.gz FLATZBVNYOASSE-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001391387644 923831618 /nfs/dbraw/zinc/83/16/18/923831618.db2.gz FLATZBVNYOASSE-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001391386630 923831666 /nfs/dbraw/zinc/83/16/66/923831666.db2.gz FNOMQGMZJWSIHI-SDDRHHMPSA-N 1 1 314.386 -1.402 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCCS(C)(=O)=O)C2)C1 ZINC001391410708 923832866 /nfs/dbraw/zinc/83/28/66/923832866.db2.gz HLFFSZMGKZJRAK-GFCCVEGCSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCCS(C)(=O)=O)C2)C1 ZINC001391410708 923832879 /nfs/dbraw/zinc/83/28/79/923832879.db2.gz HLFFSZMGKZJRAK-GFCCVEGCSA-N 1 1 319.427 -1.448 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001391386525 923833405 /nfs/dbraw/zinc/83/34/05/923833405.db2.gz ADHWCYBDEWAUQH-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001391427758 923835675 /nfs/dbraw/zinc/83/56/75/923835675.db2.gz GXICZTKSWYZGKW-NSHDSACASA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001391427745 923835957 /nfs/dbraw/zinc/83/59/57/923835957.db2.gz GXICZTKSWYZGKW-LLVKDONJSA-N 1 1 324.381 -1.492 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN([C@H](C)C(=O)NC(=O)NC)C1 ZINC001391447447 923839461 /nfs/dbraw/zinc/83/94/61/923839461.db2.gz GRVTXHVJCMHOQR-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001391447445 923840014 /nfs/dbraw/zinc/84/00/14/923840014.db2.gz GRVTXHVJCMHOQR-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CCCC[NH+]1CC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001391456521 923840365 /nfs/dbraw/zinc/84/03/65/923840365.db2.gz VMOURYIYMHWDJJ-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001391452900 923840488 /nfs/dbraw/zinc/84/04/88/923840488.db2.gz MKOQIIAURNVYQP-UHFFFAOYSA-N 1 1 309.374 -1.767 20 0 DAADMO CCNC(=O)NC(=O)CN1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001391458861 923843652 /nfs/dbraw/zinc/84/36/52/923843652.db2.gz JLKOQJJMVSIRML-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001391476715 923847103 /nfs/dbraw/zinc/84/71/03/923847103.db2.gz CPDHDQSKDCEWSG-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1cnn(CC(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)c1=O ZINC001391488447 923847539 /nfs/dbraw/zinc/84/75/39/923847539.db2.gz FEGRAJZVHNMLCI-NSHDSACASA-N 1 1 322.369 -2.140 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001391488403 923847562 /nfs/dbraw/zinc/84/75/62/923847562.db2.gz GOJZHPMYNFGEHA-NSHDSACASA-N 1 1 312.370 -1.843 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001391495650 923849684 /nfs/dbraw/zinc/84/96/84/923849684.db2.gz VWULIGKDZDKGEF-GFCCVEGCSA-N 1 1 323.397 -2.303 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001391502673 923849820 /nfs/dbraw/zinc/84/98/20/923849820.db2.gz GZBYCISMSLHSGZ-PSASIEDQSA-N 1 1 320.415 -1.764 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001391500953 923849897 /nfs/dbraw/zinc/84/98/97/923849897.db2.gz DZMOOYIEPLJLNZ-ABAIWWIYSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001391502676 923850148 /nfs/dbraw/zinc/85/01/48/923850148.db2.gz GZBYCISMSLHSGZ-SCZZXKLOSA-N 1 1 320.415 -1.764 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001391505488 923850873 /nfs/dbraw/zinc/85/08/73/923850873.db2.gz CAEIXUFSLXZOOO-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001391541168 923855576 /nfs/dbraw/zinc/85/55/76/923855576.db2.gz WRLMCSJMGNVUPP-ZJUUUORDSA-N 1 1 308.342 -1.343 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001391541168 923855580 /nfs/dbraw/zinc/85/55/80/923855580.db2.gz WRLMCSJMGNVUPP-ZJUUUORDSA-N 1 1 308.342 -1.343 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001391585942 923860552 /nfs/dbraw/zinc/86/05/52/923860552.db2.gz ODXUDBLSJWHLSX-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001391585942 923860568 /nfs/dbraw/zinc/86/05/68/923860568.db2.gz ODXUDBLSJWHLSX-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001391566879 923861385 /nfs/dbraw/zinc/86/13/85/923861385.db2.gz SXSDRAVDPMNLLL-VIFPVBQESA-N 1 1 321.403 -2.216 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001391566879 923861388 /nfs/dbraw/zinc/86/13/88/923861388.db2.gz SXSDRAVDPMNLLL-VIFPVBQESA-N 1 1 321.403 -2.216 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001391583975 923861521 /nfs/dbraw/zinc/86/15/21/923861521.db2.gz ODXPFVOVILYMKI-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001391583975 923861527 /nfs/dbraw/zinc/86/15/27/923861527.db2.gz ODXPFVOVILYMKI-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391564591 923861559 /nfs/dbraw/zinc/86/15/59/923861559.db2.gz KPYZGEYTPBZGPJ-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622771 923862690 /nfs/dbraw/zinc/86/26/90/923862690.db2.gz UTQGMASJTWHFLD-ZJUUUORDSA-N 1 1 320.415 -1.716 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622771 923862697 /nfs/dbraw/zinc/86/26/97/923862697.db2.gz UTQGMASJTWHFLD-ZJUUUORDSA-N 1 1 320.415 -1.716 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001391605657 923863506 /nfs/dbraw/zinc/86/35/06/923863506.db2.gz ZXVDGXTVPWWEQB-RYUDHWBXSA-N 1 1 323.401 -1.118 20 0 DAADMO CCN(C(=O)CNC(C)=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391623105 923863657 /nfs/dbraw/zinc/86/36/57/923863657.db2.gz DKHDAUUKMWWIAA-JTQLQIEISA-N 1 1 313.358 -1.760 20 0 DAADMO CCN(C(=O)CNC(C)=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391623105 923863675 /nfs/dbraw/zinc/86/36/75/923863675.db2.gz DKHDAUUKMWWIAA-JTQLQIEISA-N 1 1 313.358 -1.760 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001391605649 923864289 /nfs/dbraw/zinc/86/42/89/923864289.db2.gz ZXVDGXTVPWWEQB-NEPJUHHUSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622763 923864363 /nfs/dbraw/zinc/86/43/63/923864363.db2.gz UTQGMASJTWHFLD-NXEZZACHSA-N 1 1 320.415 -1.716 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622763 923864371 /nfs/dbraw/zinc/86/43/71/923864371.db2.gz UTQGMASJTWHFLD-NXEZZACHSA-N 1 1 320.415 -1.716 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391621585 923864426 /nfs/dbraw/zinc/86/44/26/923864426.db2.gz MEYCTSCFJPZYBV-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCNC(=O)NC)C1 ZINC001391611663 923864498 /nfs/dbraw/zinc/86/44/98/923864498.db2.gz MRDSLCRSLPEWRR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCNC(=O)NC)C1 ZINC001391611663 923864505 /nfs/dbraw/zinc/86/45/05/923864505.db2.gz MRDSLCRSLPEWRR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001391600358 923864787 /nfs/dbraw/zinc/86/47/87/923864787.db2.gz BOIYMZOVKQGPOR-OUAUKWLOSA-N 1 1 321.399 -2.124 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622768 923864818 /nfs/dbraw/zinc/86/48/18/923864818.db2.gz UTQGMASJTWHFLD-VHSXEESVSA-N 1 1 320.415 -1.716 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001391622768 923864828 /nfs/dbraw/zinc/86/48/28/923864828.db2.gz UTQGMASJTWHFLD-VHSXEESVSA-N 1 1 320.415 -1.716 20 0 DAADMO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001391627243 923869771 /nfs/dbraw/zinc/86/97/71/923869771.db2.gz AMQJXFQCTNLUDW-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001391705310 923870775 /nfs/dbraw/zinc/87/07/75/923870775.db2.gz PBMLDQQGGDHXGT-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001391715222 923872715 /nfs/dbraw/zinc/87/27/15/923872715.db2.gz JXIQBXZXDZCFGA-SNVBAGLBSA-N 1 1 310.358 -1.514 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)Cn1cnnn1 ZINC001391741539 923874739 /nfs/dbraw/zinc/87/47/39/923874739.db2.gz PDVVUWBFCJPZMZ-UHFFFAOYSA-N 1 1 320.357 -1.205 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001391906645 923884034 /nfs/dbraw/zinc/88/40/34/923884034.db2.gz UFWAQTOCWLCPBO-SNVBAGLBSA-N 1 1 310.358 -1.381 20 0 DAADMO Cc1noc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001391932271 923885385 /nfs/dbraw/zinc/88/53/85/923885385.db2.gz PVBOOLUBAHXFSM-APPZFPTMSA-N 1 1 324.341 -1.182 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391940845 923885726 /nfs/dbraw/zinc/88/57/26/923885726.db2.gz WAVFGEVSKWRCBQ-MWLCHTKSSA-N 1 1 311.390 -1.033 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001391957217 923888531 /nfs/dbraw/zinc/88/85/31/923888531.db2.gz ISMLJPFGTRXZPP-RYUDHWBXSA-N 1 1 316.354 -1.301 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001391957217 923888545 /nfs/dbraw/zinc/88/85/45/923888545.db2.gz ISMLJPFGTRXZPP-RYUDHWBXSA-N 1 1 316.354 -1.301 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391983202 923895829 /nfs/dbraw/zinc/89/58/29/923895829.db2.gz WRANPHWIVSAGMZ-LLVKDONJSA-N 1 1 300.359 -1.924 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391983202 923895837 /nfs/dbraw/zinc/89/58/37/923895837.db2.gz WRANPHWIVSAGMZ-LLVKDONJSA-N 1 1 300.359 -1.924 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391983205 923896912 /nfs/dbraw/zinc/89/69/12/923896912.db2.gz WRANPHWIVSAGMZ-NSHDSACASA-N 1 1 300.359 -1.924 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001391983205 923896926 /nfs/dbraw/zinc/89/69/26/923896926.db2.gz WRANPHWIVSAGMZ-NSHDSACASA-N 1 1 300.359 -1.924 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCO1 ZINC001391989774 923898511 /nfs/dbraw/zinc/89/85/11/923898511.db2.gz LTHLYARLXLFYGN-QWHCGFSZSA-N 1 1 321.381 -1.103 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001392006344 923906490 /nfs/dbraw/zinc/90/64/90/923906490.db2.gz VKQNBYCTXNVMRO-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1nccc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392036231 923915392 /nfs/dbraw/zinc/91/53/92/923915392.db2.gz IGZRGTUXEBJVNO-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1ccn[nH]1 ZINC001392054371 923921619 /nfs/dbraw/zinc/92/16/19/923921619.db2.gz XFJAGPISVRNUNY-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392065209 923923880 /nfs/dbraw/zinc/92/38/80/923923880.db2.gz OWWSRTHDTIJPMV-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392090054 923928480 /nfs/dbraw/zinc/92/84/80/923928480.db2.gz VVWJJWMFXAUDDT-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001392089760 923929528 /nfs/dbraw/zinc/92/95/28/923929528.db2.gz VDYVEDAWAXWACN-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392098357 923931451 /nfs/dbraw/zinc/93/14/51/923931451.db2.gz KAAYGZWNDQCZRZ-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001392096771 923931800 /nfs/dbraw/zinc/93/18/00/923931800.db2.gz XFPMCRRLIGHJOG-UWVGGRQHSA-N 1 1 317.390 -2.023 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnon2)CC[N@H+]1C ZINC001392102451 923934002 /nfs/dbraw/zinc/93/40/02/923934002.db2.gz IQTKDULVUHBANT-OPRDCNLKSA-N 1 1 311.342 -1.383 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001392112404 923934478 /nfs/dbraw/zinc/93/44/78/923934478.db2.gz IZYPIGKJZHKNMB-RNCFNFMXSA-N 1 1 309.374 -1.185 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)CC1 ZINC001392125439 923937458 /nfs/dbraw/zinc/93/74/58/923937458.db2.gz CYGQNLBDXYLRKP-NSHDSACASA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392140018 923939945 /nfs/dbraw/zinc/93/99/45/923939945.db2.gz FNOYAXJJTMEPHC-XQQFMLRXSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392142359 923940040 /nfs/dbraw/zinc/94/00/40/923940040.db2.gz MRBLQOLANVFGIS-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392152156 923945187 /nfs/dbraw/zinc/94/51/87/923945187.db2.gz NQMIFOAZEVXKAE-KOLCDFICSA-N 1 1 324.385 -1.338 20 0 DAADMO C[N@@H+](CCC1CCN(C(=O)Cn2ncnn2)CC1)CC(N)=O ZINC001392195435 923946652 /nfs/dbraw/zinc/94/66/52/923946652.db2.gz LXZNLNSZNKCQCB-UHFFFAOYSA-N 1 1 309.374 -1.281 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001392211404 923948999 /nfs/dbraw/zinc/94/89/99/923948999.db2.gz BGZHDIZZJQKEGY-GHMZBOCLSA-N 1 1 323.401 -1.033 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001392211408 923950163 /nfs/dbraw/zinc/95/01/63/923950163.db2.gz BGZHDIZZJQKEGY-MNOVXSKESA-N 1 1 323.401 -1.033 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392266390 923954023 /nfs/dbraw/zinc/95/40/23/923954023.db2.gz YKIJGSQNCKNGOQ-NXEZZACHSA-N 1 1 316.358 -1.625 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001392266390 923954033 /nfs/dbraw/zinc/95/40/33/923954033.db2.gz YKIJGSQNCKNGOQ-NXEZZACHSA-N 1 1 316.358 -1.625 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392266634 923954417 /nfs/dbraw/zinc/95/44/17/923954417.db2.gz YWMFHVOOIYKGPS-VIFPVBQESA-N 1 1 315.374 -1.562 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392266634 923954431 /nfs/dbraw/zinc/95/44/31/923954431.db2.gz YWMFHVOOIYKGPS-VIFPVBQESA-N 1 1 315.374 -1.562 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392266391 923954882 /nfs/dbraw/zinc/95/48/82/923954882.db2.gz YKIJGSQNCKNGOQ-UWVGGRQHSA-N 1 1 316.358 -1.625 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392266391 923954898 /nfs/dbraw/zinc/95/48/98/923954898.db2.gz YKIJGSQNCKNGOQ-UWVGGRQHSA-N 1 1 316.358 -1.625 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1cn(C)cn1 ZINC001392272471 923956035 /nfs/dbraw/zinc/95/60/35/923956035.db2.gz UBOBCOYGNCJQMK-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cn(C)cn1 ZINC001392272471 923956044 /nfs/dbraw/zinc/95/60/44/923956044.db2.gz UBOBCOYGNCJQMK-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001392271331 923956070 /nfs/dbraw/zinc/95/60/70/923956070.db2.gz KMASQNIIMPXRFU-JTQLQIEISA-N 1 1 315.374 -2.098 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001392271331 923956076 /nfs/dbraw/zinc/95/60/76/923956076.db2.gz KMASQNIIMPXRFU-JTQLQIEISA-N 1 1 315.374 -2.098 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001392289204 923957249 /nfs/dbraw/zinc/95/72/49/923957249.db2.gz NQRNQHRGWHPPGH-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001392289204 923957265 /nfs/dbraw/zinc/95/72/65/923957265.db2.gz NQRNQHRGWHPPGH-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001392278668 923957463 /nfs/dbraw/zinc/95/74/63/923957463.db2.gz IQYIRIHSBXWFDV-UHFFFAOYSA-N 1 1 302.335 -2.500 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001392278668 923957482 /nfs/dbraw/zinc/95/74/82/923957482.db2.gz IQYIRIHSBXWFDV-UHFFFAOYSA-N 1 1 302.335 -2.500 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1CNC(=O)N1 ZINC001392300735 923958549 /nfs/dbraw/zinc/95/85/49/923958549.db2.gz ORMSCNXPUOQKTM-QWRGUYRKSA-N 1 1 321.385 -1.163 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)CCn1cnnn1 ZINC001392315611 923961752 /nfs/dbraw/zinc/96/17/52/923961752.db2.gz VXFDONKKKCQGSG-UHFFFAOYSA-N 1 1 324.389 -1.521 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001392336676 923963637 /nfs/dbraw/zinc/96/36/37/923963637.db2.gz ZKGHNLDGRZDUMJ-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001392336676 923963642 /nfs/dbraw/zinc/96/36/42/923963642.db2.gz ZKGHNLDGRZDUMJ-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1)S(C)(=O)=O ZINC001392346858 923965126 /nfs/dbraw/zinc/96/51/26/923965126.db2.gz YUIUZZRYUYYHNJ-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)[nH]1 ZINC001392347644 923965807 /nfs/dbraw/zinc/96/58/07/923965807.db2.gz YKKYJIFRZLGCIN-SCZZXKLOSA-N 1 1 312.374 -1.369 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001392356360 923969274 /nfs/dbraw/zinc/96/92/74/923969274.db2.gz GRMILGTUBURUHZ-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001392354320 923970265 /nfs/dbraw/zinc/97/02/65/923970265.db2.gz PFDWMTNKNVBIJR-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1)c1nncn1C ZINC001392360959 923972389 /nfs/dbraw/zinc/97/23/89/923972389.db2.gz ADIXHKVYHQZZOP-GXSJLCMTSA-N 1 1 307.358 -1.091 20 0 DAADMO Cc1ncoc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392362601 923974056 /nfs/dbraw/zinc/97/40/56/923974056.db2.gz GFDCTAAUZIYUBZ-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001392362501 923975875 /nfs/dbraw/zinc/97/58/75/923975875.db2.gz DVVOMUJWLCIKTB-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ncoc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392362611 923976483 /nfs/dbraw/zinc/97/64/83/923976483.db2.gz GFDCTAAUZIYUBZ-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCOCC1)c1ncccn1 ZINC001392365549 923977772 /nfs/dbraw/zinc/97/77/72/923977772.db2.gz KBWGJRFHXFRWHA-OLZOCXBDSA-N 1 1 323.397 -1.064 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001392365893 923977903 /nfs/dbraw/zinc/97/79/03/923977903.db2.gz KXUCLTOXZLZSHX-BDAKNGLRSA-N 1 1 312.330 -2.270 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1)c1ncccn1 ZINC001392365541 923977939 /nfs/dbraw/zinc/97/79/39/923977939.db2.gz KBWGJRFHXFRWHA-CHWSQXEVSA-N 1 1 323.397 -1.064 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001392367313 923978549 /nfs/dbraw/zinc/97/85/49/923978549.db2.gz RSTHCUFUNXFMTN-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nccs1)[C@H]1COC(=O)N1 ZINC001392370653 923982201 /nfs/dbraw/zinc/98/22/01/923982201.db2.gz ZTJSLQZKLNYFCJ-JGVFFNPUSA-N 1 1 300.340 -1.182 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001392369935 923983138 /nfs/dbraw/zinc/98/31/38/923983138.db2.gz PQEGPPDGBILHNR-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392370956 923985455 /nfs/dbraw/zinc/98/54/55/923985455.db2.gz BAXIRROISQXTAB-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1ncnc1CNC[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392375380 923985581 /nfs/dbraw/zinc/98/55/81/923985581.db2.gz NRNWBVHIQNBRIZ-GFCCVEGCSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392370948 923985874 /nfs/dbraw/zinc/98/58/74/923985874.db2.gz BAXIRROISQXTAB-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)[nH]1 ZINC001392374803 923986220 /nfs/dbraw/zinc/98/62/20/923986220.db2.gz MWVSYSFODOHONJ-NXEZZACHSA-N 1 1 310.358 -1.794 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392378377 923988835 /nfs/dbraw/zinc/98/88/35/923988835.db2.gz OJGCSJAWADTQPZ-PSASIEDQSA-N 1 1 312.374 -1.405 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392378389 923989578 /nfs/dbraw/zinc/98/95/78/923989578.db2.gz OJGCSJAWADTQPZ-WPRPVWTQSA-N 1 1 312.374 -1.405 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c(C)n1 ZINC001392375622 923989966 /nfs/dbraw/zinc/98/99/66/923989966.db2.gz MSTZFVOEKNLTLB-LLVKDONJSA-N 1 1 322.373 -1.466 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2nnn(C)n2)CC[N@H+]1C ZINC001392378120 923990010 /nfs/dbraw/zinc/99/00/10/923990010.db2.gz NPQUFLFIADCCKJ-GMTAPVOTSA-N 1 1 311.390 -1.883 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001392380529 923991528 /nfs/dbraw/zinc/99/15/28/923991528.db2.gz HZACEMKNWPMFAB-GHMZBOCLSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O)c1nncn1C ZINC001392380216 923991619 /nfs/dbraw/zinc/99/16/19/923991619.db2.gz GSASFQXZIKKVBO-RKDXNWHRSA-N 1 1 321.341 -1.248 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001392379241 923992056 /nfs/dbraw/zinc/99/20/56/923992056.db2.gz DKZMCIODIKYSEF-VIFPVBQESA-N 1 1 321.341 -1.326 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001392379329 923993280 /nfs/dbraw/zinc/99/32/80/923993280.db2.gz DXVYXMPLIGPLBR-SNVBAGLBSA-N 1 1 307.314 -1.809 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)CC1=O ZINC001392382846 923995290 /nfs/dbraw/zinc/99/52/90/923995290.db2.gz SNVFCRAFYBYBEU-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392381786 923995375 /nfs/dbraw/zinc/99/53/75/923995375.db2.gz WORBZQAHHXJGMG-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)[nH]1 ZINC001392385707 923998070 /nfs/dbraw/zinc/99/80/70/923998070.db2.gz IZBILEORGFLEGK-MNOVXSKESA-N 1 1 324.385 -1.261 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001392386570 923998346 /nfs/dbraw/zinc/99/83/46/923998346.db2.gz MCAKKHXXRCVREI-WDEREUQCSA-N 1 1 324.385 -1.559 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392385260 923998416 /nfs/dbraw/zinc/99/84/16/923998416.db2.gz XOMFYJHPTWMCCZ-OLZOCXBDSA-N 1 1 312.370 -1.038 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392386050 923999316 /nfs/dbraw/zinc/99/93/16/923999316.db2.gz ZGBCIUONGHBMBS-NXEZZACHSA-N 1 1 310.358 -2.140 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389774 924003150 /nfs/dbraw/zinc/00/31/50/924003150.db2.gz OZIIKRYTVAUBJB-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCn2ccnc2)nn1 ZINC001392390250 924003805 /nfs/dbraw/zinc/00/38/05/924003805.db2.gz OOCZTQZQFSMMOB-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCn2ccnc2)nn1 ZINC001392390252 924004040 /nfs/dbraw/zinc/00/40/40/924004040.db2.gz OOCZTQZQFSMMOB-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)[nH]1 ZINC001392394016 924005296 /nfs/dbraw/zinc/00/52/96/924005296.db2.gz OYNSJOYMRFORGX-HZMBPMFUSA-N 1 1 324.385 -1.404 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)nc1 ZINC001392392877 924006733 /nfs/dbraw/zinc/00/67/33/924006733.db2.gz VUAATMMGXBSOOB-VIFPVBQESA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)on1 ZINC001392396084 924008767 /nfs/dbraw/zinc/00/87/67/924008767.db2.gz WUOQYPSMIQRXMK-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001392399731 924010432 /nfs/dbraw/zinc/01/04/32/924010432.db2.gz HGKICSCZSKZCJC-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnn[nH]1 ZINC001392399731 924010445 /nfs/dbraw/zinc/01/04/45/924010445.db2.gz HGKICSCZSKZCJC-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001392396072 924010954 /nfs/dbraw/zinc/01/09/54/924010954.db2.gz UGSROUQGGYLNTL-FZMZJTMJSA-N 1 1 324.385 -1.467 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001392408501 924015592 /nfs/dbraw/zinc/01/55/92/924015592.db2.gz IXBZILGFYLTAEH-WPRPVWTQSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001392408501 924015605 /nfs/dbraw/zinc/01/56/05/924015605.db2.gz IXBZILGFYLTAEH-WPRPVWTQSA-N 1 1 310.358 -1.600 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnnc2)n1 ZINC001392408379 924016368 /nfs/dbraw/zinc/01/63/68/924016368.db2.gz PFJATDMUUOPRMW-GFCCVEGCSA-N 1 1 305.342 -1.032 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)nn1 ZINC001392406898 924017045 /nfs/dbraw/zinc/01/70/45/924017045.db2.gz FOHKYBCIOOHOHS-LLVKDONJSA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001392408497 924017139 /nfs/dbraw/zinc/01/71/39/924017139.db2.gz IXBZILGFYLTAEH-SCZZXKLOSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001392408497 924017158 /nfs/dbraw/zinc/01/71/58/924017158.db2.gz IXBZILGFYLTAEH-SCZZXKLOSA-N 1 1 310.358 -1.600 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001392407907 924017933 /nfs/dbraw/zinc/01/79/33/924017933.db2.gz CBJNDSIBSPFVSG-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cscn1 ZINC001392410819 924019556 /nfs/dbraw/zinc/01/95/56/924019556.db2.gz RWMGDPVGZMNQHD-VIFPVBQESA-N 1 1 311.371 -1.524 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001392411045 924020192 /nfs/dbraw/zinc/02/01/92/924020192.db2.gz IRRXPAOLSKNEQV-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001392410340 924020537 /nfs/dbraw/zinc/02/05/37/924020537.db2.gz OXFICXQLYVIFKY-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001392410340 924020547 /nfs/dbraw/zinc/02/05/47/924020547.db2.gz OXFICXQLYVIFKY-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001392410320 924020827 /nfs/dbraw/zinc/02/08/27/924020827.db2.gz OXFICXQLYVIFKY-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001392410320 924020841 /nfs/dbraw/zinc/02/08/41/924020841.db2.gz OXFICXQLYVIFKY-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001392411044 924020968 /nfs/dbraw/zinc/02/09/68/924020968.db2.gz IRRXPAOLSKNEQV-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001392421499 924022256 /nfs/dbraw/zinc/02/22/56/924022256.db2.gz IPANNJBYGLQFEN-NSHDSACASA-N 1 1 321.341 -1.506 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCCS1(=O)=O ZINC001392417694 924022858 /nfs/dbraw/zinc/02/28/58/924022858.db2.gz CSMIYJOZFRJIEI-QWRGUYRKSA-N 1 1 317.367 -1.182 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@H]1CCCS1(=O)=O ZINC001392417703 924022938 /nfs/dbraw/zinc/02/29/38/924022938.db2.gz CSMIYJOZFRJIEI-WDEREUQCSA-N 1 1 317.367 -1.182 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001392422284 924023686 /nfs/dbraw/zinc/02/36/86/924023686.db2.gz HWBPQYAMDUTEDN-NEPJUHHUSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001392422284 924023698 /nfs/dbraw/zinc/02/36/98/924023698.db2.gz HWBPQYAMDUTEDN-NEPJUHHUSA-N 1 1 313.358 -1.643 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392420176 924024051 /nfs/dbraw/zinc/02/40/51/924024051.db2.gz NOBKANKYVJMAPM-ZJUUUORDSA-N 1 1 322.373 -1.388 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001392422293 924024753 /nfs/dbraw/zinc/02/47/53/924024753.db2.gz HWBPQYAMDUTEDN-RYUDHWBXSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001392422293 924024765 /nfs/dbraw/zinc/02/47/65/924024765.db2.gz HWBPQYAMDUTEDN-RYUDHWBXSA-N 1 1 313.358 -1.643 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001392424683 924026644 /nfs/dbraw/zinc/02/66/44/924026644.db2.gz LZLRWBFZQFQULW-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cn1 ZINC001392432138 924030892 /nfs/dbraw/zinc/03/08/92/924030892.db2.gz XSXFYSVQDNMYLQ-JTQLQIEISA-N 1 1 308.298 -1.251 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001392460983 924033575 /nfs/dbraw/zinc/03/35/75/924033575.db2.gz RDOJSMWEMKVMHC-ZJUUUORDSA-N 1 1 324.385 -1.073 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001392480436 924035872 /nfs/dbraw/zinc/03/58/72/924035872.db2.gz LPENZCMFRCHNKL-LLVKDONJSA-N 1 1 324.385 -1.249 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001392503934 924039916 /nfs/dbraw/zinc/03/99/16/924039916.db2.gz RNFKAPXHYPGUDH-LLVKDONJSA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001392492772 924040684 /nfs/dbraw/zinc/04/06/84/924040684.db2.gz CPALRXRJKWTAPD-RKDXNWHRSA-N 1 1 316.387 -1.761 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1c[nH]c(=O)cn1 ZINC001392509147 924040745 /nfs/dbraw/zinc/04/07/45/924040745.db2.gz ZUZSCKCVNHZPKC-HTQZYQBOSA-N 1 1 306.330 -1.238 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392510782 924040832 /nfs/dbraw/zinc/04/08/32/924040832.db2.gz LFLCDXYKYAGZQF-BDAKNGLRSA-N 1 1 306.326 -1.331 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001392506067 924040973 /nfs/dbraw/zinc/04/09/73/924040973.db2.gz LKDPCSFHHVORKV-RKDXNWHRSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)Cc1nnc[nH]1 ZINC001392526126 924042087 /nfs/dbraw/zinc/04/20/87/924042087.db2.gz SVPAOBIXXGPXCN-GHMZBOCLSA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1ncn[nH]1 ZINC001392516514 924043131 /nfs/dbraw/zinc/04/31/31/924043131.db2.gz ZEKYQPDKPDOYAV-MRVPVSSYSA-N 1 1 309.330 -2.529 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1nc[nH]n1 ZINC001392516514 924043147 /nfs/dbraw/zinc/04/31/47/924043147.db2.gz ZEKYQPDKPDOYAV-MRVPVSSYSA-N 1 1 309.330 -2.529 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCOCC1 ZINC001392557130 924048188 /nfs/dbraw/zinc/04/81/88/924048188.db2.gz OAHLKQTZCIFOOT-QWRGUYRKSA-N 1 1 311.390 -1.302 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001392564692 924048442 /nfs/dbraw/zinc/04/84/42/924048442.db2.gz LGNRNTXKOXMEPP-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001392548269 924048817 /nfs/dbraw/zinc/04/88/17/924048817.db2.gz BMVDRTXLXOJFSR-WCBMZHEXSA-N 1 1 307.358 -1.119 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001392583922 924052673 /nfs/dbraw/zinc/05/26/73/924052673.db2.gz UVYOEEYMNYEFOX-LBPRGKRZSA-N 1 1 320.397 -1.189 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[NH2+]Cc2ncccn2)c(=O)n1C ZINC001392614982 924054061 /nfs/dbraw/zinc/05/40/61/924054061.db2.gz OBVOUSLZASVIJA-JTQLQIEISA-N 1 1 319.369 -1.025 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392634540 924057303 /nfs/dbraw/zinc/05/73/03/924057303.db2.gz KBTZYBBNPRCXOZ-BDAKNGLRSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392634540 924057314 /nfs/dbraw/zinc/05/73/14/924057314.db2.gz KBTZYBBNPRCXOZ-BDAKNGLRSA-N 1 1 315.374 -1.515 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392643475 924058392 /nfs/dbraw/zinc/05/83/92/924058392.db2.gz LAVLILXMEZTFEV-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392643475 924058402 /nfs/dbraw/zinc/05/84/02/924058402.db2.gz LAVLILXMEZTFEV-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001392625113 924059383 /nfs/dbraw/zinc/05/93/83/924059383.db2.gz UOJHQNIONKFRSI-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001392625113 924059396 /nfs/dbraw/zinc/05/93/96/924059396.db2.gz UOJHQNIONKFRSI-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001392627623 924060126 /nfs/dbraw/zinc/06/01/26/924060126.db2.gz HJVSLXJWRMTOOZ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657840 924061404 /nfs/dbraw/zinc/06/14/04/924061404.db2.gz NSHJRDJHLREUKU-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657840 924061422 /nfs/dbraw/zinc/06/14/22/924061422.db2.gz NSHJRDJHLREUKU-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001392659959 924062000 /nfs/dbraw/zinc/06/20/00/924062000.db2.gz WZBKMELFLBEQMV-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001392659959 924062011 /nfs/dbraw/zinc/06/20/11/924062011.db2.gz WZBKMELFLBEQMV-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001392654279 924062128 /nfs/dbraw/zinc/06/21/28/924062128.db2.gz AQFASVHGNJPMLX-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001392654279 924062137 /nfs/dbraw/zinc/06/21/37/924062137.db2.gz AQFASVHGNJPMLX-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001392667645 924062164 /nfs/dbraw/zinc/06/21/64/924062164.db2.gz CBTFJIJIXHGMJH-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659450 924063515 /nfs/dbraw/zinc/06/35/15/924063515.db2.gz DIMVUAPHDKZHLA-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659450 924063526 /nfs/dbraw/zinc/06/35/26/924063526.db2.gz DIMVUAPHDKZHLA-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657842 924063868 /nfs/dbraw/zinc/06/38/68/924063868.db2.gz NSHJRDJHLREUKU-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657842 924063880 /nfs/dbraw/zinc/06/38/80/924063880.db2.gz NSHJRDJHLREUKU-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392690716 924065405 /nfs/dbraw/zinc/06/54/05/924065405.db2.gz QESPYRDDMGFUPF-ZJUUUORDSA-N 1 1 312.374 -1.871 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392676845 924065567 /nfs/dbraw/zinc/06/55/67/924065567.db2.gz WOVLOALTPKJWLJ-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392676845 924065579 /nfs/dbraw/zinc/06/55/79/924065579.db2.gz WOVLOALTPKJWLJ-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001392678456 924065708 /nfs/dbraw/zinc/06/57/08/924065708.db2.gz IRNAQVFSGAFQJS-HTQZYQBOSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001392678456 924065720 /nfs/dbraw/zinc/06/57/20/924065720.db2.gz IRNAQVFSGAFQJS-HTQZYQBOSA-N 1 1 309.392 -2.650 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CCNC(=O)C1 ZINC001392674392 924066184 /nfs/dbraw/zinc/06/61/84/924066184.db2.gz DZARHIUMRQAGKA-CYBMUJFWSA-N 1 1 322.413 -1.249 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001392680574 924066460 /nfs/dbraw/zinc/06/64/60/924066460.db2.gz NDDYJFWWJMUEDM-IUCAKERBSA-N 1 1 321.403 -2.635 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001392680574 924066474 /nfs/dbraw/zinc/06/64/74/924066474.db2.gz NDDYJFWWJMUEDM-IUCAKERBSA-N 1 1 321.403 -2.635 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392693189 924067470 /nfs/dbraw/zinc/06/74/70/924067470.db2.gz OVBVNNPUZCEDOM-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392693189 924067476 /nfs/dbraw/zinc/06/74/76/924067476.db2.gz OVBVNNPUZCEDOM-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCCNC1=O ZINC001392687095 924067637 /nfs/dbraw/zinc/06/76/37/924067637.db2.gz HUXMAQCHJPXRMR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCNC1=O ZINC001392687095 924067648 /nfs/dbraw/zinc/06/76/48/924067648.db2.gz HUXMAQCHJPXRMR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392714588 924068210 /nfs/dbraw/zinc/06/82/10/924068210.db2.gz VDOQDWFKYSLAFV-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392714588 924068216 /nfs/dbraw/zinc/06/82/16/924068216.db2.gz VDOQDWFKYSLAFV-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392711639 924069238 /nfs/dbraw/zinc/06/92/38/924069238.db2.gz MUUFNLJBMMJUHQ-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392711639 924069250 /nfs/dbraw/zinc/06/92/50/924069250.db2.gz MUUFNLJBMMJUHQ-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392700704 924069592 /nfs/dbraw/zinc/06/95/92/924069592.db2.gz ILHWIWTWPSTFRY-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392700704 924069607 /nfs/dbraw/zinc/06/96/07/924069607.db2.gz ILHWIWTWPSTFRY-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001392712322 924070804 /nfs/dbraw/zinc/07/08/04/924070804.db2.gz AQCAUMJQINAOHI-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392714592 924070900 /nfs/dbraw/zinc/07/09/00/924070900.db2.gz VDOQDWFKYSLAFV-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392714592 924070913 /nfs/dbraw/zinc/07/09/13/924070913.db2.gz VDOQDWFKYSLAFV-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)Cn1ncn2nccc2c1=O ZINC001392708689 924070988 /nfs/dbraw/zinc/07/09/88/924070988.db2.gz UZSFSVYABUCWDP-MNOVXSKESA-N 1 1 322.369 -1.292 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392718006 924072564 /nfs/dbraw/zinc/07/25/64/924072564.db2.gz FEDPBWYDUQMMDB-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392718006 924072575 /nfs/dbraw/zinc/07/25/75/924072575.db2.gz FEDPBWYDUQMMDB-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC001392727693 924072659 /nfs/dbraw/zinc/07/26/59/924072659.db2.gz XIQGXVYGGTYONN-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001392723353 924072800 /nfs/dbraw/zinc/07/28/00/924072800.db2.gz IWCYKWCOKYMGJX-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001392723353 924072806 /nfs/dbraw/zinc/07/28/06/924072806.db2.gz IWCYKWCOKYMGJX-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)CS(C)(=O)=O)C2CC2)n1 ZINC001392764023 924074740 /nfs/dbraw/zinc/07/47/40/924074740.db2.gz NEWPNROXSVJLRO-LLVKDONJSA-N 1 1 315.399 -1.156 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766219 924075258 /nfs/dbraw/zinc/07/52/58/924075258.db2.gz INMSZMRLSYOFBA-WDEREUQCSA-N 1 1 311.386 -1.240 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001392788565 924077266 /nfs/dbraw/zinc/07/72/66/924077266.db2.gz LLKSRZWEVSYRKH-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001392788565 924077287 /nfs/dbraw/zinc/07/72/87/924077287.db2.gz LLKSRZWEVSYRKH-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001392788308 924077899 /nfs/dbraw/zinc/07/78/99/924077899.db2.gz HPZNXCBXNBTALM-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001392788308 924077913 /nfs/dbraw/zinc/07/79/13/924077913.db2.gz HPZNXCBXNBTALM-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCNS(C)(=O)=O ZINC001392821409 924078972 /nfs/dbraw/zinc/07/89/72/924078972.db2.gz HOFFVBWUVITUHD-RYUDHWBXSA-N 1 1 318.443 -1.180 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001392836141 924083441 /nfs/dbraw/zinc/08/34/41/924083441.db2.gz HVIOESAWMPBRBU-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)CN1CN=NC1=O ZINC001392827129 924083623 /nfs/dbraw/zinc/08/36/23/924083623.db2.gz CUWZNWYKIWEWIQ-VIFPVBQESA-N 1 1 321.341 -1.190 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001392837460 924083943 /nfs/dbraw/zinc/08/39/43/924083943.db2.gz IOQVSBAYRYKEEM-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001392837460 924083957 /nfs/dbraw/zinc/08/39/57/924083957.db2.gz IOQVSBAYRYKEEM-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1)OC ZINC001392828892 924084316 /nfs/dbraw/zinc/08/43/16/924084316.db2.gz AJCAGFWXGJVVGG-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1CS(=O)(=O)C1 ZINC001392840739 924085341 /nfs/dbraw/zinc/08/53/41/924085341.db2.gz WSBKXTBJGGHGJZ-VHSXEESVSA-N 1 1 317.411 -1.396 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392856980 924085588 /nfs/dbraw/zinc/08/55/88/924085588.db2.gz ANRPKTMTVYIYHT-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392856980 924085597 /nfs/dbraw/zinc/08/55/97/924085597.db2.gz ANRPKTMTVYIYHT-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392857604 924087533 /nfs/dbraw/zinc/08/75/33/924087533.db2.gz YOSUMKDTRVHOPY-BBBLOLIVSA-N 1 1 314.342 -2.218 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001392866682 924088923 /nfs/dbraw/zinc/08/89/23/924088923.db2.gz JKIYWNJGFXFZLI-VXGBXAGGSA-N 1 1 324.385 -1.507 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392878416 924089203 /nfs/dbraw/zinc/08/92/03/924089203.db2.gz FBLBIAWUIFDDGG-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001392870013 924089465 /nfs/dbraw/zinc/08/94/65/924089465.db2.gz QPGXRLQQEUGDIV-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001392863006 924089744 /nfs/dbraw/zinc/08/97/44/924089744.db2.gz DWTFXMRCBMERAD-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)NCC(=O)NCC1([NH2+]CC(=O)Nc2ccon2)CC1 ZINC001392877183 924090060 /nfs/dbraw/zinc/09/00/60/924090060.db2.gz GVQDIPKEYINTBP-UHFFFAOYSA-N 1 1 309.326 -1.012 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001392869262 924090203 /nfs/dbraw/zinc/09/02/03/924090203.db2.gz BVHUVQKGJWYLEG-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001392862430 924090673 /nfs/dbraw/zinc/09/06/73/924090673.db2.gz MRAQICJTJDNNHT-QWRGUYRKSA-N 1 1 310.354 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881232 924092069 /nfs/dbraw/zinc/09/20/69/924092069.db2.gz WIFMVCXURMBMEF-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881232 924092077 /nfs/dbraw/zinc/09/20/77/924092077.db2.gz WIFMVCXURMBMEF-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881236 924092669 /nfs/dbraw/zinc/09/26/69/924092669.db2.gz WIFMVCXURMBMEF-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881236 924092672 /nfs/dbraw/zinc/09/26/72/924092672.db2.gz WIFMVCXURMBMEF-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)NC[C@H]1CCCO1 ZINC001392914645 924096377 /nfs/dbraw/zinc/09/63/77/924096377.db2.gz ZMSKKLHHMPEHSO-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CCC(=O)N3C)CC2)nc1=O ZINC001392925045 924098186 /nfs/dbraw/zinc/09/81/86/924098186.db2.gz NQZFFHYBOJLWRW-VIFPVBQESA-N 1 1 322.369 -1.532 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001392945747 924099354 /nfs/dbraw/zinc/09/93/54/924099354.db2.gz GGRUQBMYKYPPJR-WPRPVWTQSA-N 1 1 308.342 -1.506 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001392982983 924101772 /nfs/dbraw/zinc/10/17/72/924101772.db2.gz HCEFWNMELOUHLB-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957639 924102725 /nfs/dbraw/zinc/10/27/25/924102725.db2.gz XFXLNOIBCMRTTG-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957639 924102733 /nfs/dbraw/zinc/10/27/33/924102733.db2.gz XFXLNOIBCMRTTG-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CC[C@H](C)F)C1 ZINC001393010148 924106892 /nfs/dbraw/zinc/10/68/92/924106892.db2.gz DSCLWVHCZDCIMW-VIFPVBQESA-N 1 1 310.395 -1.069 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001393005743 924107634 /nfs/dbraw/zinc/10/76/34/924107634.db2.gz YJUJWXBIJOEQNT-JTQLQIEISA-N 1 1 322.369 -1.082 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393009343 924108068 /nfs/dbraw/zinc/10/80/68/924108068.db2.gz FMQPXFRLOGQTPD-GXSJLCMTSA-N 1 1 311.386 -1.193 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001393087056 924115383 /nfs/dbraw/zinc/11/53/83/924115383.db2.gz IYQIPFNDVRTSPY-GRYCIOLGSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001393100359 924116244 /nfs/dbraw/zinc/11/62/44/924116244.db2.gz DXECMNZQQGMLPP-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001393100359 924116263 /nfs/dbraw/zinc/11/62/63/924116263.db2.gz DXECMNZQQGMLPP-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001393101480 924116800 /nfs/dbraw/zinc/11/68/00/924116800.db2.gz HIANSKPQJZJADC-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001393092804 924116982 /nfs/dbraw/zinc/11/69/82/924116982.db2.gz FXJGUBALTNQGPU-CQSZACIVSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393102442 924117204 /nfs/dbraw/zinc/11/72/04/924117204.db2.gz KYSBMJHIPNXMMQ-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393102448 924117280 /nfs/dbraw/zinc/11/72/80/924117280.db2.gz KYSBMJHIPNXMMQ-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@]1(NC(=O)CCn2cnccc2=O)CC[N@H+](CC(N)=O)C1 ZINC001393125955 924120057 /nfs/dbraw/zinc/12/00/57/924120057.db2.gz VXKAZDNYPGERDM-AWEZNQCLSA-N 1 1 307.354 -1.301 20 0 DAADMO C[C@]1(NC(=O)CCn2cnccc2=O)CC[N@@H+](CC(N)=O)C1 ZINC001393125955 924120064 /nfs/dbraw/zinc/12/00/64/924120064.db2.gz VXKAZDNYPGERDM-AWEZNQCLSA-N 1 1 307.354 -1.301 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001393114957 924120571 /nfs/dbraw/zinc/12/05/71/924120571.db2.gz XZFRBAMVHSFORV-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)CCNC(N)=O)C2)n1 ZINC001393169598 924121718 /nfs/dbraw/zinc/12/17/18/924121718.db2.gz RDSZDDBQKPLQDW-ZDUSSCGKSA-N 1 1 324.389 -1.403 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnccn1 ZINC001393227965 924122669 /nfs/dbraw/zinc/12/26/69/924122669.db2.gz BVVWQCLBDIDNJN-AWEZNQCLSA-N 1 1 317.353 -1.065 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393233248 924125116 /nfs/dbraw/zinc/12/51/16/924125116.db2.gz DFJPMIGZWDBQEP-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001393231718 924125128 /nfs/dbraw/zinc/12/51/28/924125128.db2.gz GQNROHDJFDQUPV-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)OC)C1 ZINC001393237424 924126824 /nfs/dbraw/zinc/12/68/24/924126824.db2.gz OSIRUXFRYJELQQ-RNCFNFMXSA-N 1 1 316.358 -1.970 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)OC)C1 ZINC001393237424 924126835 /nfs/dbraw/zinc/12/68/35/924126835.db2.gz OSIRUXFRYJELQQ-RNCFNFMXSA-N 1 1 316.358 -1.970 20 0 DAADMO CCO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393236118 924126882 /nfs/dbraw/zinc/12/68/82/924126882.db2.gz MHYKZHNAJAXSDH-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CCO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393236118 924126889 /nfs/dbraw/zinc/12/68/89/924126889.db2.gz MHYKZHNAJAXSDH-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393235779 924126959 /nfs/dbraw/zinc/12/69/59/924126959.db2.gz BBVPNIGISFCLTL-QMTHXVAHSA-N 1 1 324.385 -1.446 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)OC)C1 ZINC001393237432 924127217 /nfs/dbraw/zinc/12/72/17/924127217.db2.gz OSIRUXFRYJELQQ-ZANVPECISA-N 1 1 316.358 -1.970 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)OC)C1 ZINC001393237432 924127228 /nfs/dbraw/zinc/12/72/28/924127228.db2.gz OSIRUXFRYJELQQ-ZANVPECISA-N 1 1 316.358 -1.970 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001393241194 924128604 /nfs/dbraw/zinc/12/86/04/924128604.db2.gz UFPJYUZOCASDLA-FZMZJTMJSA-N 1 1 310.354 -1.350 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393240412 924129175 /nfs/dbraw/zinc/12/91/75/924129175.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 1 1 314.386 -2.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393240412 924129180 /nfs/dbraw/zinc/12/91/80/924129180.db2.gz HCVGHVCDGSTEEG-SMDDNHRTSA-N 1 1 314.386 -2.384 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001393243640 924129284 /nfs/dbraw/zinc/12/92/84/924129284.db2.gz XTUONTUEGVZXGC-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001393243025 924129424 /nfs/dbraw/zinc/12/94/24/924129424.db2.gz WZNGMUJXNCMRNT-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001393243025 924129431 /nfs/dbraw/zinc/12/94/31/924129431.db2.gz WZNGMUJXNCMRNT-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001393244188 924129470 /nfs/dbraw/zinc/12/94/70/924129470.db2.gz USGFSBIIYHPEMU-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001393244188 924129477 /nfs/dbraw/zinc/12/94/77/924129477.db2.gz USGFSBIIYHPEMU-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001393243779 924129611 /nfs/dbraw/zinc/12/96/11/924129611.db2.gz SMRSFRGHKMNODP-DGWOPVBCSA-N 1 1 300.750 -1.021 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393241707 924130750 /nfs/dbraw/zinc/13/07/50/924130750.db2.gz XVOBMXXSSNJNKR-RNCFNFMXSA-N 1 1 314.342 -2.216 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393241707 924130762 /nfs/dbraw/zinc/13/07/62/924130762.db2.gz XVOBMXXSSNJNKR-RNCFNFMXSA-N 1 1 314.342 -2.216 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001393244186 924131339 /nfs/dbraw/zinc/13/13/39/924131339.db2.gz USGFSBIIYHPEMU-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001393244186 924131344 /nfs/dbraw/zinc/13/13/44/924131344.db2.gz USGFSBIIYHPEMU-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244659 924132450 /nfs/dbraw/zinc/13/24/50/924132450.db2.gz UZMAAPCLPRIKOR-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244659 924132456 /nfs/dbraw/zinc/13/24/56/924132456.db2.gz UZMAAPCLPRIKOR-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393246363 924132557 /nfs/dbraw/zinc/13/25/57/924132557.db2.gz BDYYUQSCJFSSMM-TVQRCGJNSA-N 1 1 314.342 -2.264 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393246363 924132569 /nfs/dbraw/zinc/13/25/69/924132569.db2.gz BDYYUQSCJFSSMM-TVQRCGJNSA-N 1 1 314.342 -2.264 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccoc2)C1 ZINC001393245682 924132952 /nfs/dbraw/zinc/13/29/52/924132952.db2.gz YMFFRABZLGITFC-CQSZACIVSA-N 1 1 324.337 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccoc2)C1 ZINC001393245682 924132963 /nfs/dbraw/zinc/13/29/63/924132963.db2.gz YMFFRABZLGITFC-CQSZACIVSA-N 1 1 324.337 -1.098 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001393244266 924133182 /nfs/dbraw/zinc/13/31/82/924133182.db2.gz QJDQLDCGZGOYAA-TZMCWYRMSA-N 1 1 313.354 -1.223 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393246491 924133358 /nfs/dbraw/zinc/13/33/58/924133358.db2.gz ZUIQGPWDAIFLMR-GXTWGEPZSA-N 1 1 312.370 -1.406 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001393244742 924134042 /nfs/dbraw/zinc/13/40/42/924134042.db2.gz VZCYIBWXSGDRCJ-WCQYABFASA-N 1 1 312.374 -1.613 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244977 924134133 /nfs/dbraw/zinc/13/41/33/924134133.db2.gz TUHNRZXOMNBFMO-LKFCYVNXSA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244977 924134139 /nfs/dbraw/zinc/13/41/39/924134139.db2.gz TUHNRZXOMNBFMO-LKFCYVNXSA-N 1 1 322.369 -1.640 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393248475 924134193 /nfs/dbraw/zinc/13/41/93/924134193.db2.gz GZUCUGLFYVWHHZ-LKFCYVNXSA-N 1 1 323.353 -1.521 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393248475 924134199 /nfs/dbraw/zinc/13/41/99/924134199.db2.gz GZUCUGLFYVWHHZ-LKFCYVNXSA-N 1 1 323.353 -1.521 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393248461 924134349 /nfs/dbraw/zinc/13/43/49/924134349.db2.gz FDTITXADSJCBNR-CYBMUJFWSA-N 1 1 303.359 -2.316 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001393247682 924134388 /nfs/dbraw/zinc/13/43/88/924134388.db2.gz DNNLDLZCZVXEDC-IINYFYTJSA-N 1 1 307.354 -1.193 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393255233 924135744 /nfs/dbraw/zinc/13/57/44/924135744.db2.gz PYGXUNIRLISGSK-CYBMUJFWSA-N 1 1 305.350 -1.386 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393255233 924135757 /nfs/dbraw/zinc/13/57/57/924135757.db2.gz PYGXUNIRLISGSK-CYBMUJFWSA-N 1 1 305.350 -1.386 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ncc[nH]1 ZINC001393249721 924136152 /nfs/dbraw/zinc/13/61/52/924136152.db2.gz HWPUEMIMXCFNIP-AWEZNQCLSA-N 1 1 322.369 -1.399 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255310 924136383 /nfs/dbraw/zinc/13/63/83/924136383.db2.gz ZFVLUCFAWUNDJP-OTYXRUKQSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255310 924136393 /nfs/dbraw/zinc/13/63/93/924136393.db2.gz ZFVLUCFAWUNDJP-OTYXRUKQSA-N 1 1 323.353 -2.179 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393253193 924136422 /nfs/dbraw/zinc/13/64/22/924136422.db2.gz YFYUQNZZJBAGEQ-CYBMUJFWSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393250460 924136449 /nfs/dbraw/zinc/13/64/49/924136449.db2.gz YAIAYPJITWWWKT-HZMBPMFUSA-N 1 1 324.385 -1.470 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393250460 924136462 /nfs/dbraw/zinc/13/64/62/924136462.db2.gz YAIAYPJITWWWKT-HZMBPMFUSA-N 1 1 324.385 -1.470 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001393251728 924137090 /nfs/dbraw/zinc/13/70/90/924137090.db2.gz UICWYNYRTKKKFM-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001393251728 924137100 /nfs/dbraw/zinc/13/71/00/924137100.db2.gz UICWYNYRTKKKFM-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCF)C1)C1CS(=O)(=O)C1 ZINC001393251288 924137323 /nfs/dbraw/zinc/13/73/23/924137323.db2.gz RYKVCGGWJBJQFK-LBPRGKRZSA-N 1 1 308.375 -1.056 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)C1CS(=O)(=O)C1 ZINC001393251288 924137329 /nfs/dbraw/zinc/13/73/29/924137329.db2.gz RYKVCGGWJBJQFK-LBPRGKRZSA-N 1 1 308.375 -1.056 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001393249664 924137349 /nfs/dbraw/zinc/13/73/49/924137349.db2.gz HTTFAZJLKSUHBT-OCCSQVGLSA-N 1 1 311.386 -1.152 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393250070 924137431 /nfs/dbraw/zinc/13/74/31/924137431.db2.gz NSFNTSWOGWMYEY-CABZTGNLSA-N 1 1 309.330 -2.885 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393250070 924137440 /nfs/dbraw/zinc/13/74/40/924137440.db2.gz NSFNTSWOGWMYEY-CABZTGNLSA-N 1 1 309.330 -2.885 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393255852 924139459 /nfs/dbraw/zinc/13/94/59/924139459.db2.gz QTZCMBBRASBXMT-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393255852 924139469 /nfs/dbraw/zinc/13/94/69/924139469.db2.gz QTZCMBBRASBXMT-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3nccn3c2)C1 ZINC001393261279 924139504 /nfs/dbraw/zinc/13/95/04/924139504.db2.gz SPIBZBAFXURFGF-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3nccn3c2)C1 ZINC001393261279 924139512 /nfs/dbraw/zinc/13/95/12/924139512.db2.gz SPIBZBAFXURFGF-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393263073 924139655 /nfs/dbraw/zinc/13/96/55/924139655.db2.gz NNLFYPAHKZFDPK-ABAIWWIYSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393263073 924139667 /nfs/dbraw/zinc/13/96/67/924139667.db2.gz NNLFYPAHKZFDPK-ABAIWWIYSA-N 1 1 323.397 -1.015 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001393259669 924139848 /nfs/dbraw/zinc/13/98/48/924139848.db2.gz GVEQSCQHEFPFCW-ZDUSSCGKSA-N 1 1 320.357 -1.120 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393255728 924139903 /nfs/dbraw/zinc/13/99/03/924139903.db2.gz SHYCBIQYJHWNEE-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393255728 924139910 /nfs/dbraw/zinc/13/99/10/924139910.db2.gz SHYCBIQYJHWNEE-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001393259709 924140210 /nfs/dbraw/zinc/14/02/10/924140210.db2.gz YMCZQPBLDROIIY-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393263075 924140347 /nfs/dbraw/zinc/14/03/47/924140347.db2.gz NNLFYPAHKZFDPK-NHYWBVRUSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393263075 924140359 /nfs/dbraw/zinc/14/03/59/924140359.db2.gz NNLFYPAHKZFDPK-NHYWBVRUSA-N 1 1 323.397 -1.015 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3nccn3c2)C1 ZINC001393261267 924140423 /nfs/dbraw/zinc/14/04/23/924140423.db2.gz SPIBZBAFXURFGF-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3nccn3c2)C1 ZINC001393261267 924140434 /nfs/dbraw/zinc/14/04/34/924140434.db2.gz SPIBZBAFXURFGF-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001393260388 924140596 /nfs/dbraw/zinc/14/05/96/924140596.db2.gz YJTFNPALNWRRKU-LBPRGKRZSA-N 1 1 314.367 -1.239 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001393260388 924140601 /nfs/dbraw/zinc/14/06/01/924140601.db2.gz YJTFNPALNWRRKU-LBPRGKRZSA-N 1 1 314.367 -1.239 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1COC(=O)N1 ZINC001393259786 924140869 /nfs/dbraw/zinc/14/08/69/924140869.db2.gz XTBHXTXZNQTUEP-MFKMUULPSA-N 1 1 324.341 -2.061 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393263076 924140891 /nfs/dbraw/zinc/14/08/91/924140891.db2.gz NNLFYPAHKZFDPK-XHDPSFHLSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393263076 924140902 /nfs/dbraw/zinc/14/09/02/924140902.db2.gz NNLFYPAHKZFDPK-XHDPSFHLSA-N 1 1 323.397 -1.015 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001393259905 924141166 /nfs/dbraw/zinc/14/11/66/924141166.db2.gz ZCFLQTMKZYPLCF-HNNXBMFYSA-N 1 1 323.397 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2C)C1 ZINC001393259905 924141178 /nfs/dbraw/zinc/14/11/78/924141178.db2.gz ZCFLQTMKZYPLCF-HNNXBMFYSA-N 1 1 323.397 -1.430 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393263074 924141326 /nfs/dbraw/zinc/14/13/26/924141326.db2.gz NNLFYPAHKZFDPK-IAQYHMDHSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393263074 924141337 /nfs/dbraw/zinc/14/13/37/924141337.db2.gz NNLFYPAHKZFDPK-IAQYHMDHSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001393259764 924141372 /nfs/dbraw/zinc/14/13/72/924141372.db2.gz XTBHXTXZNQTUEP-GXFFZTMASA-N 1 1 324.341 -2.061 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnc2nccn2c1 ZINC001393261903 924141883 /nfs/dbraw/zinc/14/18/83/924141883.db2.gz UYWHEHLIZDRENH-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393256966 924141974 /nfs/dbraw/zinc/14/19/74/924141974.db2.gz UEZFEKNOBIQWMA-QPUJVOFHSA-N 1 1 300.315 -2.606 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393256966 924141983 /nfs/dbraw/zinc/14/19/83/924141983.db2.gz UEZFEKNOBIQWMA-QPUJVOFHSA-N 1 1 300.315 -2.606 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@]1(O)CCN([C@H]2CCCNC2=O)C1 ZINC001393271903 924143459 /nfs/dbraw/zinc/14/34/59/924143459.db2.gz HOOCNMXVGLADER-SWLSCSKDSA-N 1 1 312.414 -1.230 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001393263531 924144104 /nfs/dbraw/zinc/14/41/04/924144104.db2.gz SZXHRMPEPJTSSQ-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001393263531 924144114 /nfs/dbraw/zinc/14/41/14/924144114.db2.gz SZXHRMPEPJTSSQ-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001393268131 924144231 /nfs/dbraw/zinc/14/42/31/924144231.db2.gz JODCXXGIPBXOME-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001393268131 924144239 /nfs/dbraw/zinc/14/42/39/924144239.db2.gz JODCXXGIPBXOME-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001393272879 924144262 /nfs/dbraw/zinc/14/42/62/924144262.db2.gz BXYCIKRIXHLUAD-GXFFZTMASA-N 1 1 310.358 -1.754 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001393272901 924145345 /nfs/dbraw/zinc/14/53/45/924145345.db2.gz CDWYKPPLGZHJIL-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001393272901 924145351 /nfs/dbraw/zinc/14/53/51/924145351.db2.gz CDWYKPPLGZHJIL-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393268090 924145408 /nfs/dbraw/zinc/14/54/08/924145408.db2.gz JKEDRNNZXKPANS-OAHLLOKOSA-N 1 1 324.381 -1.431 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393275320 924147228 /nfs/dbraw/zinc/14/72/28/924147228.db2.gz MGPGCCLNRLPOJY-AWEZNQCLSA-N 1 1 320.353 -1.478 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277025 924147893 /nfs/dbraw/zinc/14/78/93/924147893.db2.gz AFKHGTNAVILBRV-MLGOLLRUSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001393275580 924148150 /nfs/dbraw/zinc/14/81/50/924148150.db2.gz CRNPFEIXHJOWNS-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001393275580 924148159 /nfs/dbraw/zinc/14/81/59/924148159.db2.gz CRNPFEIXHJOWNS-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1CNC(=O)N1 ZINC001393274899 924148248 /nfs/dbraw/zinc/14/82/48/924148248.db2.gz KMDIBTWZAULULB-BXUZGUMPSA-N 1 1 322.369 -1.883 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393278826 924148542 /nfs/dbraw/zinc/14/85/42/924148542.db2.gz GWRLTCLTJZPSLG-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001393278489 924148936 /nfs/dbraw/zinc/14/89/36/924148936.db2.gz RNUBEIONUDJABQ-XHDPSFHLSA-N 1 1 322.365 -1.027 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001393278476 924149832 /nfs/dbraw/zinc/14/98/32/924149832.db2.gz RNUBEIONUDJABQ-ABAIWWIYSA-N 1 1 322.365 -1.027 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001393278677 924150043 /nfs/dbraw/zinc/15/00/43/924150043.db2.gz SYMXTQPHLVBARS-MEBBXXQBSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001393278677 924150051 /nfs/dbraw/zinc/15/00/51/924150051.db2.gz SYMXTQPHLVBARS-MEBBXXQBSA-N 1 1 324.381 -1.076 20 0 DAADMO C[C@H](Oc1cccnc1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393279485 924150905 /nfs/dbraw/zinc/15/09/05/924150905.db2.gz SMCLECOVXFYAAX-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](Oc1cccnc1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393279485 924150913 /nfs/dbraw/zinc/15/09/13/924150913.db2.gz SMCLECOVXFYAAX-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001393280147 924150970 /nfs/dbraw/zinc/15/09/70/924150970.db2.gz JQMSQGJBUSXOMK-AAEUAGOBSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001393280147 924150979 /nfs/dbraw/zinc/15/09/79/924150979.db2.gz JQMSQGJBUSXOMK-AAEUAGOBSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283293 924151151 /nfs/dbraw/zinc/15/11/51/924151151.db2.gz YJUAPLLKYOZBEX-BXUZGUMPSA-N 1 1 300.403 -1.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)nn1 ZINC001393283377 924151233 /nfs/dbraw/zinc/15/12/33/924151233.db2.gz QRAKDYQBLJDSGZ-GFCCVEGCSA-N 1 1 314.321 -2.101 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)nn1 ZINC001393283377 924151238 /nfs/dbraw/zinc/15/12/38/924151238.db2.gz QRAKDYQBLJDSGZ-GFCCVEGCSA-N 1 1 314.321 -2.101 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001393279149 924151344 /nfs/dbraw/zinc/15/13/44/924151344.db2.gz OFRPOMPGUJKGSN-RISCZKNCSA-N 1 1 310.354 -1.350 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393278973 924151375 /nfs/dbraw/zinc/15/13/75/924151375.db2.gz RCQCZNIPUGKQEF-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282047 924151631 /nfs/dbraw/zinc/15/16/31/924151631.db2.gz WIMYVDVIGWCXLI-FZMZJTMJSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393280036 924151989 /nfs/dbraw/zinc/15/19/89/924151989.db2.gz UGEWWVHATAIKLP-IUODEOHRSA-N 1 1 321.381 -1.183 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001393280150 924152206 /nfs/dbraw/zinc/15/22/06/924152206.db2.gz JQMSQGJBUSXOMK-YPMHNXCESA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001393280150 924152214 /nfs/dbraw/zinc/15/22/14/924152214.db2.gz JQMSQGJBUSXOMK-YPMHNXCESA-N 1 1 322.427 -1.134 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282041 924152249 /nfs/dbraw/zinc/15/22/49/924152249.db2.gz WIMYVDVIGWCXLI-BXUZGUMPSA-N 1 1 300.403 -1.374 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001393279709 924153909 /nfs/dbraw/zinc/15/39/09/924153909.db2.gz FDLKKWYRHWVXFT-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001393279709 924153916 /nfs/dbraw/zinc/15/39/16/924153916.db2.gz FDLKKWYRHWVXFT-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)OC)C1 ZINC001393283595 924155356 /nfs/dbraw/zinc/15/53/56/924155356.db2.gz RIYCIIWTFYGLPR-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288685 924156976 /nfs/dbraw/zinc/15/69/76/924156976.db2.gz DWENEJKLNASJQI-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001393295874 924158123 /nfs/dbraw/zinc/15/81/23/924158123.db2.gz WLEPRGQANBZHID-AWEZNQCLSA-N 1 1 309.370 -1.440 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001393295874 924158133 /nfs/dbraw/zinc/15/81/33/924158133.db2.gz WLEPRGQANBZHID-AWEZNQCLSA-N 1 1 309.370 -1.440 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393293994 924158693 /nfs/dbraw/zinc/15/86/93/924158693.db2.gz OOWPSTNGQCWABQ-SMDDNHRTSA-N 1 1 314.386 -1.535 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289899 924159442 /nfs/dbraw/zinc/15/94/42/924159442.db2.gz KGTYQTBYTHITFT-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289899 924159451 /nfs/dbraw/zinc/15/94/51/924159451.db2.gz KGTYQTBYTHITFT-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001393296400 924161043 /nfs/dbraw/zinc/16/10/43/924161043.db2.gz WRXVEBBJNNIWGF-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393296290 924162173 /nfs/dbraw/zinc/16/21/73/924162173.db2.gz VPSOTUJIDJZVLS-AWEZNQCLSA-N 1 1 323.353 -1.223 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393296290 924162179 /nfs/dbraw/zinc/16/21/79/924162179.db2.gz VPSOTUJIDJZVLS-AWEZNQCLSA-N 1 1 323.353 -1.223 20 0 DAADMO CCN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001393304703 924163651 /nfs/dbraw/zinc/16/36/51/924163651.db2.gz QTAAEMPQTHWESA-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001393303685 924164271 /nfs/dbraw/zinc/16/42/71/924164271.db2.gz KRDLGXHLWFBEMY-QWRGUYRKSA-N 1 1 312.370 -2.632 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001393303685 924164279 /nfs/dbraw/zinc/16/42/79/924164279.db2.gz KRDLGXHLWFBEMY-QWRGUYRKSA-N 1 1 312.370 -2.632 20 0 DAADMO CC[C@H](CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001393305878 924166745 /nfs/dbraw/zinc/16/67/45/924166745.db2.gz SHQYSASHILGUIP-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@H](CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001393305878 924166750 /nfs/dbraw/zinc/16/67/50/924166750.db2.gz SHQYSASHILGUIP-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001393312884 924168980 /nfs/dbraw/zinc/16/89/80/924168980.db2.gz AMDCOFFFXNZHMG-WCQYABFASA-N 1 1 322.369 -1.737 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001393312872 924169407 /nfs/dbraw/zinc/16/94/07/924169407.db2.gz AMDCOFFFXNZHMG-AAEUAGOBSA-N 1 1 322.369 -1.737 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001393335211 924181142 /nfs/dbraw/zinc/18/11/42/924181142.db2.gz SKJTXHIQBHQGNT-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334944 924181482 /nfs/dbraw/zinc/18/14/82/924181482.db2.gz PUNGZSJOMGPMAY-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334944 924181494 /nfs/dbraw/zinc/18/14/94/924181494.db2.gz PUNGZSJOMGPMAY-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001393347250 924187183 /nfs/dbraw/zinc/18/71/83/924187183.db2.gz URUKPBHFBILZSF-UHFFFAOYSA-N 1 1 322.431 -1.655 20 0 DAADMO C[C@@]1(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)CCC(=O)N1 ZINC001393348387 924187662 /nfs/dbraw/zinc/18/76/62/924187662.db2.gz YPIDHXXVEPDJPY-RISCZKNCSA-N 1 1 311.382 -1.146 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC001393357623 924190095 /nfs/dbraw/zinc/19/00/95/924190095.db2.gz VFMFRDLVIMVFLK-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H](C)COC)C2)C1 ZINC001393362354 924192517 /nfs/dbraw/zinc/19/25/17/924192517.db2.gz XVXOQZLIWMFBER-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H](C)COC)C2)C1 ZINC001393362354 924192522 /nfs/dbraw/zinc/19/25/22/924192522.db2.gz XVXOQZLIWMFBER-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393360673 924193291 /nfs/dbraw/zinc/19/32/91/924193291.db2.gz SIZGIUBAZVFVSB-NSHDSACASA-N 1 1 300.403 -1.376 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001393382630 924194667 /nfs/dbraw/zinc/19/46/67/924194667.db2.gz DINYUZRFVKMDDR-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001393404111 924195933 /nfs/dbraw/zinc/19/59/33/924195933.db2.gz NHYXFIZUUMCCDU-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001393419596 924197126 /nfs/dbraw/zinc/19/71/26/924197126.db2.gz SBYJQVHVLPJRHA-AXFHLTTASA-N 1 1 309.370 -1.677 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393407588 924197367 /nfs/dbraw/zinc/19/73/67/924197367.db2.gz VEPLWTQYEVINFT-WCFLWFBJSA-N 1 1 310.398 -1.011 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393407579 924197388 /nfs/dbraw/zinc/19/73/88/924197388.db2.gz VEPLWTQYEVINFT-RTXFEEFZSA-N 1 1 310.398 -1.011 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccon3)C[C@H]2C1 ZINC001393412842 924197636 /nfs/dbraw/zinc/19/76/36/924197636.db2.gz HXUZVJJJXJCLHV-AOOOYVTPSA-N 1 1 321.337 -1.198 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001393409679 924197740 /nfs/dbraw/zinc/19/77/40/924197740.db2.gz HNBZYVDKQXUSNB-TXEJJXNPSA-N 1 1 314.361 -1.402 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCn2cccn2)C1 ZINC001393432940 924200236 /nfs/dbraw/zinc/20/02/36/924200236.db2.gz ZSTHAXBHQQZFPC-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CC(=O)N[C@]1(CO)CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001393427074 924201608 /nfs/dbraw/zinc/20/16/08/924201608.db2.gz XJTXZKCCPUIXJE-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO CC(=O)N[C@]1(CO)CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001393427074 924201622 /nfs/dbraw/zinc/20/16/22/924201622.db2.gz XJTXZKCCPUIXJE-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393428823 924202539 /nfs/dbraw/zinc/20/25/39/924202539.db2.gz NMUGOEDLAYMQMP-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@]1(CO)CCC[N@H+](C[C@H](C)O)C1 ZINC001393440001 924203113 /nfs/dbraw/zinc/20/31/13/924203113.db2.gz XIYLTHRLRZGNDH-SMDDNHRTSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)cc1=O ZINC001393449407 924205428 /nfs/dbraw/zinc/20/54/28/924205428.db2.gz MFLRFNVUDUJCLN-OAHLLOKOSA-N 1 1 324.381 -1.281 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CNC(=O)NC ZINC001393454836 924206098 /nfs/dbraw/zinc/20/60/98/924206098.db2.gz HZRLHDRYYJWGIF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)cc1=O ZINC001393449406 924206200 /nfs/dbraw/zinc/20/62/00/924206200.db2.gz MFLRFNVUDUJCLN-HNNXBMFYSA-N 1 1 324.381 -1.281 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)c1=O ZINC001393445202 924206707 /nfs/dbraw/zinc/20/67/07/924206707.db2.gz DGBVFIFPWPDSCI-CYBMUJFWSA-N 1 1 313.358 -2.483 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c1=O ZINC001393445207 924206745 /nfs/dbraw/zinc/20/67/45/924206745.db2.gz DGBVFIFPWPDSCI-ZDUSSCGKSA-N 1 1 313.358 -2.483 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CNC(=O)NC ZINC001393454806 924207159 /nfs/dbraw/zinc/20/71/59/924207159.db2.gz HZRLHDRYYJWGIF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](C)O ZINC001393462583 924208712 /nfs/dbraw/zinc/20/87/12/924208712.db2.gz LMLHWSWVUTYWDK-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)Cn2cnnn2)[nH]1 ZINC001393458545 924208901 /nfs/dbraw/zinc/20/89/01/924208901.db2.gz GSJVYBAJYFTSOX-SECBINFHSA-N 1 1 323.361 -1.729 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001393456707 924211292 /nfs/dbraw/zinc/21/12/92/924211292.db2.gz FFZWYDMHJPNJET-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393470606 924212309 /nfs/dbraw/zinc/21/23/09/924212309.db2.gz YXEYUOZBFCUFNL-DOMZBBRYSA-N 1 1 313.398 -1.067 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393470609 924212675 /nfs/dbraw/zinc/21/26/75/924212675.db2.gz YXEYUOZBFCUFNL-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468122 924212738 /nfs/dbraw/zinc/21/27/38/924212738.db2.gz IWZRYBFSCZIVEI-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466132 924215253 /nfs/dbraw/zinc/21/52/53/924215253.db2.gz QXVTVQMMUILNIZ-SMDDNHRTSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466132 924215264 /nfs/dbraw/zinc/21/52/64/924215264.db2.gz QXVTVQMMUILNIZ-SMDDNHRTSA-N 1 1 324.385 -1.515 20 0 DAADMO CNC(=O)NCCC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001393534956 924222544 /nfs/dbraw/zinc/22/25/44/924222544.db2.gz AMSZMQXSVNAOTJ-UHFFFAOYSA-N 1 1 324.389 -1.342 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CN(C)C(=O)N3)CCC2)nn1 ZINC001393550359 924224531 /nfs/dbraw/zinc/22/45/31/924224531.db2.gz IMMKJMHJOWQSQI-LLVKDONJSA-N 1 1 321.385 -1.033 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001393571779 924227582 /nfs/dbraw/zinc/22/75/82/924227582.db2.gz NYROOUFUTFLURI-JOYOIKCWSA-N 1 1 311.342 -1.089 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001393576628 924227605 /nfs/dbraw/zinc/22/76/05/924227605.db2.gz GDWZIJZEYVYVJR-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001393579073 924230772 /nfs/dbraw/zinc/23/07/72/924230772.db2.gz AAUJHQLNAIYREB-GHMZBOCLSA-N 1 1 313.358 -1.829 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001393579081 924231833 /nfs/dbraw/zinc/23/18/33/924231833.db2.gz AAUJHQLNAIYREB-QWRGUYRKSA-N 1 1 313.358 -1.829 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001393598337 924234364 /nfs/dbraw/zinc/23/43/64/924234364.db2.gz HWABHFNSGIWJCV-VIFPVBQESA-N 1 1 323.357 -1.406 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001393598337 924234375 /nfs/dbraw/zinc/23/43/75/924234375.db2.gz HWABHFNSGIWJCV-VIFPVBQESA-N 1 1 323.357 -1.406 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393594722 924234543 /nfs/dbraw/zinc/23/45/43/924234543.db2.gz FNWJNLWGAKAJSK-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001393620754 924236359 /nfs/dbraw/zinc/23/63/59/924236359.db2.gz GARQVQHXCAEFHA-JTQLQIEISA-N 1 1 322.431 -1.468 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cc1nc2ncccn2n1 ZINC001393643860 924236408 /nfs/dbraw/zinc/23/64/08/924236408.db2.gz JOAWVUXEXLDJCQ-UHFFFAOYSA-N 1 1 319.369 -1.068 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001393631559 924237050 /nfs/dbraw/zinc/23/70/50/924237050.db2.gz SCHVXBUIXDPZEO-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO CN(CCC[N@@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001393640146 924237810 /nfs/dbraw/zinc/23/78/10/924237810.db2.gz JWRBHVILJDNFPJ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001393631831 924238211 /nfs/dbraw/zinc/23/82/11/924238211.db2.gz UFVNMXLPYOAUNR-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001393690609 924245745 /nfs/dbraw/zinc/24/57/45/924245745.db2.gz QHKWZSHMJMKYGH-HZMBPMFUSA-N 1 1 311.386 -1.157 20 0 DAADMO Cc1ncc(C(=O)N2C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C2)[nH]1 ZINC001393728652 924247688 /nfs/dbraw/zinc/24/76/88/924247688.db2.gz IDGQJKIGBCCXOR-XVKPBYJWSA-N 1 1 308.342 -1.037 20 0 DAADMO CN1CC[C@@H]([NH2+]CC2(NC(=O)c3ncn[nH]3)CCOCC2)C1=O ZINC001393716246 924248831 /nfs/dbraw/zinc/24/88/31/924248831.db2.gz LZVOGWOTVSZYFD-SNVBAGLBSA-N 1 1 322.369 -1.096 20 0 DAADMO CN1CC[C@@H]([NH2+]CC2(NC(=O)c3nc[nH]n3)CCOCC2)C1=O ZINC001393716246 924248841 /nfs/dbraw/zinc/24/88/41/924248841.db2.gz LZVOGWOTVSZYFD-SNVBAGLBSA-N 1 1 322.369 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1C ZINC001393727962 924249184 /nfs/dbraw/zinc/24/91/84/924249184.db2.gz DTYUQHVPGQFBTG-WCBMZHEXSA-N 1 1 308.342 -1.085 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001393750764 924251674 /nfs/dbraw/zinc/25/16/74/924251674.db2.gz XFGJEBMXDIPECM-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001393760635 924252401 /nfs/dbraw/zinc/25/24/01/924252401.db2.gz IJPLFMVQJUUWOY-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)[C@@H](C)C1 ZINC001393744530 924252710 /nfs/dbraw/zinc/25/27/10/924252710.db2.gz KALGNVWQFHWGKL-ONGXEEELSA-N 1 1 309.374 -1.319 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2ncc[nH]2)CC1 ZINC001393771433 924254693 /nfs/dbraw/zinc/25/46/93/924254693.db2.gz MWICXFCNOBEHGB-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001393770864 924255438 /nfs/dbraw/zinc/25/54/38/924255438.db2.gz MFTRIPVJTJYPKO-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C1 ZINC001393777125 924256540 /nfs/dbraw/zinc/25/65/40/924256540.db2.gz BBWYDFQJLBQLKP-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1cccnn1 ZINC001393852064 924262547 /nfs/dbraw/zinc/26/25/47/924262547.db2.gz MIPZVBCWERUYLX-GFCCVEGCSA-N 1 1 319.365 -1.078 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001393851600 924263147 /nfs/dbraw/zinc/26/31/47/924263147.db2.gz HBEMZFWHEIXTRS-UHFFFAOYSA-N 1 1 309.374 -1.281 20 0 DAADMO CS(=O)(=O)CC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001393845138 924263329 /nfs/dbraw/zinc/26/33/29/924263329.db2.gz PMKVPDQPESYDEW-UHFFFAOYSA-N 1 1 308.400 -1.644 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871238 924265160 /nfs/dbraw/zinc/26/51/60/924265160.db2.gz KMHNLAULKHRQBW-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871238 924265169 /nfs/dbraw/zinc/26/51/69/924265169.db2.gz KMHNLAULKHRQBW-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001393917519 924265703 /nfs/dbraw/zinc/26/57/03/924265703.db2.gz AVULBXQFWAOXKX-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001393888889 924265909 /nfs/dbraw/zinc/26/59/09/924265909.db2.gz YRPUHCIXIPMHGR-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001393888152 924266503 /nfs/dbraw/zinc/26/65/03/924266503.db2.gz ZVWKTQBNPMBPSM-QMMMGPOBSA-N 1 1 324.345 -2.059 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001393888152 924266508 /nfs/dbraw/zinc/26/65/08/924266508.db2.gz ZVWKTQBNPMBPSM-QMMMGPOBSA-N 1 1 324.345 -2.059 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871244 924266530 /nfs/dbraw/zinc/26/65/30/924266530.db2.gz KMHNLAULKHRQBW-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001393871244 924266538 /nfs/dbraw/zinc/26/65/38/924266538.db2.gz KMHNLAULKHRQBW-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001393864968 924266798 /nfs/dbraw/zinc/26/67/98/924266798.db2.gz AFYQNDQYBQRWLS-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001393864968 924266808 /nfs/dbraw/zinc/26/68/08/924266808.db2.gz AFYQNDQYBQRWLS-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001393967115 924270151 /nfs/dbraw/zinc/27/01/51/924270151.db2.gz WTSFZQQLRQNYLF-ZJUUUORDSA-N 1 1 324.385 -1.207 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047521 924274070 /nfs/dbraw/zinc/27/40/70/924274070.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047521 924274077 /nfs/dbraw/zinc/27/40/77/924274077.db2.gz OATNOQOILTZWQF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001394059542 924274785 /nfs/dbraw/zinc/27/47/85/924274785.db2.gz QCYHBOJCPJCRQZ-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001394059542 924274794 /nfs/dbraw/zinc/27/47/94/924274794.db2.gz QCYHBOJCPJCRQZ-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001394034766 924274856 /nfs/dbraw/zinc/27/48/56/924274856.db2.gz DYKKYHGYXAHGJC-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001394034771 924274995 /nfs/dbraw/zinc/27/49/95/924274995.db2.gz DYKKYHGYXAHGJC-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001394062059 924275043 /nfs/dbraw/zinc/27/50/43/924275043.db2.gz BSXLTAKOKVYNKR-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001394062059 924275050 /nfs/dbraw/zinc/27/50/50/924275050.db2.gz BSXLTAKOKVYNKR-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001394062058 924275816 /nfs/dbraw/zinc/27/58/16/924275816.db2.gz BSXLTAKOKVYNKR-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001394062058 924275825 /nfs/dbraw/zinc/27/58/25/924275825.db2.gz BSXLTAKOKVYNKR-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001394035500 924275888 /nfs/dbraw/zinc/27/58/88/924275888.db2.gz KQHJQEFMWCCPJE-YPMHNXCESA-N 1 1 311.386 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001394053766 924276039 /nfs/dbraw/zinc/27/60/39/924276039.db2.gz PIBFKVMVYHQEJC-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001394053766 924276049 /nfs/dbraw/zinc/27/60/49/924276049.db2.gz PIBFKVMVYHQEJC-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001394059544 924276373 /nfs/dbraw/zinc/27/63/73/924276373.db2.gz QCYHBOJCPJCRQZ-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001394059544 924276381 /nfs/dbraw/zinc/27/63/81/924276381.db2.gz QCYHBOJCPJCRQZ-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)[N@H+](C)CC(N)=O ZINC001394067485 924277050 /nfs/dbraw/zinc/27/70/50/924277050.db2.gz IZPDMWFMTHEUCZ-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)[N@@H+](C)CC(N)=O ZINC001394067485 924277059 /nfs/dbraw/zinc/27/70/59/924277059.db2.gz IZPDMWFMTHEUCZ-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC001394066780 924277336 /nfs/dbraw/zinc/27/73/36/924277336.db2.gz MZAOMXDRZYIHMT-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC001394066780 924277349 /nfs/dbraw/zinc/27/73/49/924277349.db2.gz MZAOMXDRZYIHMT-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394065786 924277420 /nfs/dbraw/zinc/27/74/20/924277420.db2.gz MMBROACLOCLDSA-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394083128 924277613 /nfs/dbraw/zinc/27/76/13/924277613.db2.gz YNSKYVIZWCVXJW-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394083128 924277618 /nfs/dbraw/zinc/27/76/18/924277618.db2.gz YNSKYVIZWCVXJW-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001394065218 924277809 /nfs/dbraw/zinc/27/78/09/924277809.db2.gz HAVZYZKFONOEBE-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCCS1(=O)=O)[N@@H+](C)CCO ZINC001394090104 924278056 /nfs/dbraw/zinc/27/80/56/924278056.db2.gz IBMSYYGCDZBQLE-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394108621 924279667 /nfs/dbraw/zinc/27/96/67/924279667.db2.gz KIIFTYJACJXLQQ-RKDXNWHRSA-N 1 1 304.347 -1.721 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394108621 924279678 /nfs/dbraw/zinc/27/96/78/924279678.db2.gz KIIFTYJACJXLQQ-RKDXNWHRSA-N 1 1 304.347 -1.721 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394097483 924280005 /nfs/dbraw/zinc/28/00/05/924280005.db2.gz CKLUCZDTUBSKAR-XXFSISAASA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001394119603 924280758 /nfs/dbraw/zinc/28/07/58/924280758.db2.gz DAQBADWORLSGDC-ZJUUUORDSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001394119603 924280766 /nfs/dbraw/zinc/28/07/66/924280766.db2.gz DAQBADWORLSGDC-ZJUUUORDSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001394102413 924280827 /nfs/dbraw/zinc/28/08/27/924280827.db2.gz LNUXLGRDGGIEEE-UWVGGRQHSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001394102418 924280962 /nfs/dbraw/zinc/28/09/62/924280962.db2.gz LNUXLGRDGGIEEE-ZJUUUORDSA-N 1 1 312.374 -1.871 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001394100978 924281369 /nfs/dbraw/zinc/28/13/69/924281369.db2.gz NWFOSKHRTKOROW-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001394100978 924281376 /nfs/dbraw/zinc/28/13/76/924281376.db2.gz NWFOSKHRTKOROW-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001394145876 924282195 /nfs/dbraw/zinc/28/21/95/924282195.db2.gz YTQNNPLPAIIBHD-QMMMGPOBSA-N 1 1 319.387 -1.023 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001394145876 924282207 /nfs/dbraw/zinc/28/22/07/924282207.db2.gz YTQNNPLPAIIBHD-QMMMGPOBSA-N 1 1 319.387 -1.023 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001394143003 924282324 /nfs/dbraw/zinc/28/23/24/924282324.db2.gz RZRFUBJQOYUDOZ-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001394143003 924282336 /nfs/dbraw/zinc/28/23/36/924282336.db2.gz RZRFUBJQOYUDOZ-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)N(C)CC(=O)NC)C1 ZINC001394139990 924283543 /nfs/dbraw/zinc/28/35/43/924283543.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)N(C)CC(=O)NC)C1 ZINC001394139990 924283550 /nfs/dbraw/zinc/28/35/50/924283550.db2.gz JYCLAFGWNLRUOU-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001394132013 924283828 /nfs/dbraw/zinc/28/38/28/924283828.db2.gz AKWSYAKFTIKZHP-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001394132013 924283834 /nfs/dbraw/zinc/28/38/34/924283834.db2.gz AKWSYAKFTIKZHP-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001394143871 924284241 /nfs/dbraw/zinc/28/42/41/924284241.db2.gz INIWDKXWXZPTKZ-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135903 924284285 /nfs/dbraw/zinc/28/42/85/924284285.db2.gz OFEXUXNGMNWKAM-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135903 924284293 /nfs/dbraw/zinc/28/42/93/924284293.db2.gz OFEXUXNGMNWKAM-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001394147864 924285212 /nfs/dbraw/zinc/28/52/12/924285212.db2.gz RWFKBOOHIWLMEZ-WDEREUQCSA-N 1 1 314.386 -1.367 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001394147619 924285286 /nfs/dbraw/zinc/28/52/86/924285286.db2.gz OAJDCXZEWVDFCL-NWDGAFQWSA-N 1 1 313.398 -1.021 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001394156057 924287246 /nfs/dbraw/zinc/28/72/46/924287246.db2.gz SCSCLAICOKHOJW-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001394161511 924288989 /nfs/dbraw/zinc/28/89/89/924288989.db2.gz MMIMTPRWSLGIFA-UHFFFAOYSA-N 1 1 312.370 -1.109 20 0 DAADMO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)CCNC(N)=O)C1 ZINC001394165381 924289042 /nfs/dbraw/zinc/28/90/42/924289042.db2.gz DTGIAGGOHAVCMH-SNVBAGLBSA-N 1 1 302.375 -1.367 20 0 DAADMO CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001394159284 924289680 /nfs/dbraw/zinc/28/96/80/924289680.db2.gz TUWGOBQMCBZFOQ-JTQLQIEISA-N 1 1 312.370 -1.062 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001394231444 924290744 /nfs/dbraw/zinc/29/07/44/924290744.db2.gz JOUNRAKOHHHCKM-KOLCDFICSA-N 1 1 307.358 -1.612 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001394244047 924292943 /nfs/dbraw/zinc/29/29/43/924292943.db2.gz NFSITOYVGKKVDU-NXEZZACHSA-N 1 1 324.385 -1.847 20 0 DAADMO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1C[NH+](CCF)C1 ZINC001394244239 924293282 /nfs/dbraw/zinc/29/32/82/924293282.db2.gz GBGIAQANIKSFFP-VIFPVBQESA-N 1 1 310.395 -1.212 20 0 DAADMO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1C[NH+](CCF)C1 ZINC001394244233 924293446 /nfs/dbraw/zinc/29/34/46/924293446.db2.gz GBGIAQANIKSFFP-SECBINFHSA-N 1 1 310.395 -1.212 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001394244056 924294008 /nfs/dbraw/zinc/29/40/08/924294008.db2.gz NFSITOYVGKKVDU-VHSXEESVSA-N 1 1 324.385 -1.847 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001394296771 924294317 /nfs/dbraw/zinc/29/43/17/924294317.db2.gz ARNMOLWRJOHZNO-FIQHERPVSA-N 1 1 319.427 -1.400 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001394286170 924294604 /nfs/dbraw/zinc/29/46/04/924294604.db2.gz XMQYBTZLNRMXMK-JHEVNIALSA-N 1 1 310.398 -1.107 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001394286170 924294613 /nfs/dbraw/zinc/29/46/13/924294613.db2.gz XMQYBTZLNRMXMK-JHEVNIALSA-N 1 1 310.398 -1.107 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001394273439 924294949 /nfs/dbraw/zinc/29/49/49/924294949.db2.gz BZBMRVSSLWNXOK-YGRLFVJLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001394273436 924295383 /nfs/dbraw/zinc/29/53/83/924295383.db2.gz BZBMRVSSLWNXOK-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)CNC(C)=O)C(C)(C)C1 ZINC001394283853 924295556 /nfs/dbraw/zinc/29/55/56/924295556.db2.gz UCPVCMXWCGYYCZ-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001394284254 924295637 /nfs/dbraw/zinc/29/56/37/924295637.db2.gz TXMVXRLOAORYGF-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001394284254 924295640 /nfs/dbraw/zinc/29/56/40/924295640.db2.gz TXMVXRLOAORYGF-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c(=O)n1C ZINC001394316960 924296413 /nfs/dbraw/zinc/29/64/13/924296413.db2.gz DBJCLXPIBYHXCZ-CNDDSTCGSA-N 1 1 309.370 -1.823 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001394317438 924297071 /nfs/dbraw/zinc/29/70/71/924297071.db2.gz NKWZXCDIGAFLMT-MMWGEVLESA-N 1 1 304.354 -1.470 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001394317438 924297076 /nfs/dbraw/zinc/29/70/76/924297076.db2.gz NKWZXCDIGAFLMT-MMWGEVLESA-N 1 1 304.354 -1.470 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001394317438 924297089 /nfs/dbraw/zinc/29/70/89/924297089.db2.gz NKWZXCDIGAFLMT-MMWGEVLESA-N 1 1 304.354 -1.470 20 0 DAADMO CCOCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001394338518 924298022 /nfs/dbraw/zinc/29/80/22/924298022.db2.gz RAJGJTHVDCRXOO-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001394338502 924298162 /nfs/dbraw/zinc/29/81/62/924298162.db2.gz RAJGJTHVDCRXOO-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnnc3)[C@@H]2C1 ZINC001394337370 924298273 /nfs/dbraw/zinc/29/82/73/924298273.db2.gz JIJMGZSSQUUMHW-RTCCRHLQSA-N 1 1 318.337 -1.421 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001394325802 924298308 /nfs/dbraw/zinc/29/83/08/924298308.db2.gz ZJBJJXHDCCYBDU-MMWGEVLESA-N 1 1 309.370 -1.902 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001394324149 924298778 /nfs/dbraw/zinc/29/87/78/924298778.db2.gz QMNSQEBMUUHABK-XWLWVQCSSA-N 1 1 310.354 -1.488 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001394338523 924298948 /nfs/dbraw/zinc/29/89/48/924298948.db2.gz RAJGJTHVDCRXOO-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001394381406 924302132 /nfs/dbraw/zinc/30/21/32/924302132.db2.gz OTDIAMAXYMGIQQ-JQWIXIFHSA-N 1 1 316.402 -1.027 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cnnn2)nn1 ZINC001394458739 924302340 /nfs/dbraw/zinc/30/23/40/924302340.db2.gz IEUCDTLEGKOYAU-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cnnn2)nn1 ZINC001394458745 924302729 /nfs/dbraw/zinc/30/27/29/924302729.db2.gz IEUCDTLEGKOYAU-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](C)C[C@@H](O)COC)CC1 ZINC001394384170 924303055 /nfs/dbraw/zinc/30/30/55/924303055.db2.gz BBBDBNOHEYLMNU-GFCCVEGCSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001394477112 924304439 /nfs/dbraw/zinc/30/44/39/924304439.db2.gz GDRLAOZLGOKUCC-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001394565405 924309440 /nfs/dbraw/zinc/30/94/40/924309440.db2.gz UFAPWAFIBRGBIS-GFCCVEGCSA-N 1 1 309.370 -1.468 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2csnn2)C1 ZINC001394572069 924310854 /nfs/dbraw/zinc/31/08/54/924310854.db2.gz NDFHVXZQMNSGAB-MWLCHTKSSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2csnn2)C1 ZINC001394572069 924310861 /nfs/dbraw/zinc/31/08/61/924310861.db2.gz NDFHVXZQMNSGAB-MWLCHTKSSA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)cn1 ZINC001394569792 924312145 /nfs/dbraw/zinc/31/21/45/924312145.db2.gz HIDICXFHNNUONQ-CHWSQXEVSA-N 1 1 310.354 -1.233 20 0 DAADMO CCn1nncc1CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001394575359 924313172 /nfs/dbraw/zinc/31/31/72/924313172.db2.gz FZFJJTQKKSATSV-YPMHNXCESA-N 1 1 310.402 -1.041 20 0 DAADMO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1[nH]nc(C)c1C ZINC001394574743 924313886 /nfs/dbraw/zinc/31/38/86/924313886.db2.gz VSKCEOSTWFODSJ-QWRGUYRKSA-N 1 1 300.359 -1.286 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001394577145 924316156 /nfs/dbraw/zinc/31/61/56/924316156.db2.gz BMTPWMDKUAXPNI-GFCCVEGCSA-N 1 1 324.385 -1.329 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001394579416 924318220 /nfs/dbraw/zinc/31/82/20/924318220.db2.gz VNQBMWGGDYEPNU-QMMMGPOBSA-N 1 1 307.397 -1.246 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001394579731 924318652 /nfs/dbraw/zinc/31/86/52/924318652.db2.gz KFMRDYLFUVVTCL-UWVGGRQHSA-N 1 1 312.326 -1.033 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccc1O ZINC001394582647 924319781 /nfs/dbraw/zinc/31/97/81/924319781.db2.gz HUWBFGYPJPUUEX-JTQLQIEISA-N 1 1 310.354 -1.054 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)n1 ZINC001394583173 924321496 /nfs/dbraw/zinc/32/14/96/924321496.db2.gz HIQAYWJOKYBYAG-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001394583364 924322927 /nfs/dbraw/zinc/32/29/27/924322927.db2.gz PTFBTWSMNOZAID-QMMMGPOBSA-N 1 1 316.387 -1.576 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)ncn1 ZINC001394592076 924328454 /nfs/dbraw/zinc/32/84/54/924328454.db2.gz NAAJOCVXYZXBCH-AAEUAGOBSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cc(OCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001394593901 924330211 /nfs/dbraw/zinc/33/02/11/924330211.db2.gz NOWKMHXFAIFXSI-JTQLQIEISA-N 1 1 324.341 -1.243 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)NCC(N)=O)ccc2c[nH+]cn21 ZINC001394601420 924331720 /nfs/dbraw/zinc/33/17/20/924331720.db2.gz FLGQOSMWDJKGBJ-SNVBAGLBSA-N 1 1 305.338 -1.192 20 0 DAADMO CCn1cc(CC[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001394604591 924334051 /nfs/dbraw/zinc/33/40/51/924334051.db2.gz MQIHYVWJNOQUOG-LLVKDONJSA-N 1 1 307.358 -1.056 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001394609480 924334913 /nfs/dbraw/zinc/33/49/13/924334913.db2.gz CMCQSCWAKFJBQL-GHMZBOCLSA-N 1 1 310.358 -1.990 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001394608825 924335126 /nfs/dbraw/zinc/33/51/26/924335126.db2.gz BOGQMAQXEYUOMP-AGIUHOORSA-N 1 1 303.403 -1.455 20 0 DAADMO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001394608842 924335687 /nfs/dbraw/zinc/33/56/87/924335687.db2.gz BOGQMAQXEYUOMP-XQQFMLRXSA-N 1 1 303.403 -1.455 20 0 DAADMO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001394608835 924335712 /nfs/dbraw/zinc/33/57/12/924335712.db2.gz BOGQMAQXEYUOMP-UPJWGTAASA-N 1 1 303.403 -1.455 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)o1 ZINC001394608873 924335915 /nfs/dbraw/zinc/33/59/15/924335915.db2.gz PQEVIXTZDKZVSI-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001394608413 924336088 /nfs/dbraw/zinc/33/60/88/924336088.db2.gz CKUQRUYUXNODCS-VIFPVBQESA-N 1 1 321.341 -1.326 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001394608824 924336164 /nfs/dbraw/zinc/33/61/64/924336164.db2.gz UOSYKQAJIUWTAA-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001394614375 924340295 /nfs/dbraw/zinc/34/02/95/924340295.db2.gz WRWIQUVHVJGZLP-SECBINFHSA-N 1 1 312.374 -1.439 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)nn1C ZINC001394620832 924341835 /nfs/dbraw/zinc/34/18/35/924341835.db2.gz UZTVSCHKUPSKPM-CABZTGNLSA-N 1 1 311.386 -1.193 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001394626647 924344563 /nfs/dbraw/zinc/34/45/63/924344563.db2.gz TWRQQXIGUCWMKG-SECBINFHSA-N 1 1 309.330 -1.359 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001394632052 924346139 /nfs/dbraw/zinc/34/61/39/924346139.db2.gz HNVIDWCYUMZVDH-MXWKQRLJSA-N 1 1 323.353 -1.827 20 0 DAADMO Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001394632059 924346268 /nfs/dbraw/zinc/34/62/68/924346268.db2.gz NCOILFJPRDFZDV-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC12CC2)N1CCNC(=O)C1 ZINC001394630606 924346825 /nfs/dbraw/zinc/34/68/25/924346825.db2.gz KAUKOCAULHADKB-MNOVXSKESA-N 1 1 324.381 -2.188 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1)c1cnccn1 ZINC001394640493 924349346 /nfs/dbraw/zinc/34/93/46/924349346.db2.gz BUGMQVJAWMNAFD-NXEZZACHSA-N 1 1 305.342 -1.035 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2cnn(C)n2)C1 ZINC001394634777 924349604 /nfs/dbraw/zinc/34/96/04/924349604.db2.gz KUVZQIBSHQDGPZ-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)ccc1=O ZINC001394646352 924353166 /nfs/dbraw/zinc/35/31/66/924353166.db2.gz DMMSZVJODSIEEX-QMMMGPOBSA-N 1 1 324.366 -1.488 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001394651428 924354440 /nfs/dbraw/zinc/35/44/40/924354440.db2.gz XZBCLFFXLNMVKI-NSHDSACASA-N 1 1 323.357 -1.065 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001394651427 924354502 /nfs/dbraw/zinc/35/45/02/924354502.db2.gz XZBCLFFXLNMVKI-LLVKDONJSA-N 1 1 323.357 -1.065 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)cn1 ZINC001394651112 924354565 /nfs/dbraw/zinc/35/45/65/924354565.db2.gz XQYYODZCJRJOQJ-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001394652228 924355567 /nfs/dbraw/zinc/35/55/67/924355567.db2.gz WPJXXVZGXKLHBA-LLVKDONJSA-N 1 1 313.333 -1.154 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)cn1 ZINC001394651114 924355855 /nfs/dbraw/zinc/35/58/55/924355855.db2.gz XQYYODZCJRJOQJ-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C[C@H]1C ZINC001394677592 924361314 /nfs/dbraw/zinc/36/13/14/924361314.db2.gz GFGYGYJVLDBKOW-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCNC(N)=O ZINC001394674382 924361749 /nfs/dbraw/zinc/36/17/49/924361749.db2.gz HYJZSKHUIVHCFY-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001394677762 924361998 /nfs/dbraw/zinc/36/19/98/924361998.db2.gz JAMJTQKHCCXJAD-FZMZJTMJSA-N 1 1 321.385 -1.078 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001394726427 924364053 /nfs/dbraw/zinc/36/40/53/924364053.db2.gz HHIDBJJRUZGISD-JTQLQIEISA-N 1 1 322.373 -1.282 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnccn1 ZINC001394725429 924364074 /nfs/dbraw/zinc/36/40/74/924364074.db2.gz CISOWXMFODXOCH-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1COC(=O)N1 ZINC001394731921 924364608 /nfs/dbraw/zinc/36/46/08/924364608.db2.gz AQHVHUDQLHSSEN-UWVGGRQHSA-N 1 1 309.326 -1.506 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2cnn(C)c2)[nH]1 ZINC001394732820 924367146 /nfs/dbraw/zinc/36/71/46/924367146.db2.gz SQZFZVIRMZIHJN-GFCCVEGCSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)N1 ZINC001394732043 924368618 /nfs/dbraw/zinc/36/86/18/924368618.db2.gz RAIRMUPURIASCN-GHMZBOCLSA-N 1 1 310.358 -1.997 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001394734514 924369026 /nfs/dbraw/zinc/36/90/26/924369026.db2.gz OWBADJSYIMTUHG-SNVBAGLBSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@@H]1CCOC1 ZINC001394735822 924369724 /nfs/dbraw/zinc/36/97/24/924369724.db2.gz PEGHKHJSQNMHFS-WDEREUQCSA-N 1 1 312.374 -1.454 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001394734741 924369808 /nfs/dbraw/zinc/36/98/08/924369808.db2.gz YHBKBRXIHNNGLU-JTQLQIEISA-N 1 1 312.374 -1.452 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001394741637 924371130 /nfs/dbraw/zinc/37/11/30/924371130.db2.gz JTHSACDILRJGBI-HTQZYQBOSA-N 1 1 309.334 -1.888 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1)c1nncn1C ZINC001394738664 924372578 /nfs/dbraw/zinc/37/25/78/924372578.db2.gz WVQOYMNGAKCXQR-UWVGGRQHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnoc1 ZINC001394748803 924374032 /nfs/dbraw/zinc/37/40/32/924374032.db2.gz YPGWOZBJBZPKRM-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnc[nH]c1=O ZINC001394747374 924374581 /nfs/dbraw/zinc/37/45/81/924374581.db2.gz VPCWTGBGQCSJPI-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001394751338 924375709 /nfs/dbraw/zinc/37/57/09/924375709.db2.gz NAXLEQUWTKFNSS-GHMZBOCLSA-N 1 1 322.369 -1.591 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)co1 ZINC001394754785 924377638 /nfs/dbraw/zinc/37/76/38/924377638.db2.gz BKKDFYGUQQSXKN-QWRGUYRKSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)[nH]1 ZINC001394755055 924377687 /nfs/dbraw/zinc/37/76/87/924377687.db2.gz VHYYPAHAJOJEHK-PSASIEDQSA-N 1 1 312.374 -1.466 20 0 DAADMO CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1)C(N)=O ZINC001394754413 924377698 /nfs/dbraw/zinc/37/76/98/924377698.db2.gz NDBCBRBKRWRMEY-RYUDHWBXSA-N 1 1 300.403 -1.245 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)co1 ZINC001394754784 924378178 /nfs/dbraw/zinc/37/81/78/924378178.db2.gz BKKDFYGUQQSXKN-MNOVXSKESA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394753970 924378465 /nfs/dbraw/zinc/37/84/65/924378465.db2.gz UHLNDWWFRBXBOJ-DCQANWLSSA-N 1 1 309.370 -1.384 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001394754728 924379434 /nfs/dbraw/zinc/37/94/34/924379434.db2.gz ACLZXWDYBJSZMW-ONGXEEELSA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001394761323 924380790 /nfs/dbraw/zinc/38/07/90/924380790.db2.gz YBTBNGBTLPALGD-MNOVXSKESA-N 1 1 324.385 -1.515 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001394761158 924381154 /nfs/dbraw/zinc/38/11/54/924381154.db2.gz DYXXVWSAOJVECC-KOLCDFICSA-N 1 1 314.386 -1.008 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001394761160 924381441 /nfs/dbraw/zinc/38/14/41/924381441.db2.gz DYXXVWSAOJVECC-MWLCHTKSSA-N 1 1 314.386 -1.008 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1)C(N)=O ZINC001394763956 924381623 /nfs/dbraw/zinc/38/16/23/924381623.db2.gz KVEPSPLRNOWTEE-WPRPVWTQSA-N 1 1 320.353 -1.146 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)n(C)n1 ZINC001394772893 924382560 /nfs/dbraw/zinc/38/25/60/924382560.db2.gz ZVXDUHSKINPCRR-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)n(C)n1 ZINC001394772893 924382567 /nfs/dbraw/zinc/38/25/67/924382567.db2.gz ZVXDUHSKINPCRR-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001394769563 924382705 /nfs/dbraw/zinc/38/27/05/924382705.db2.gz QZFZNVCFYONVIG-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001394769563 924382712 /nfs/dbraw/zinc/38/27/12/924382712.db2.gz QZFZNVCFYONVIG-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394766658 924383014 /nfs/dbraw/zinc/38/30/14/924383014.db2.gz BNSDXRHODMPSKH-MNOVXSKESA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394766658 924383021 /nfs/dbraw/zinc/38/30/21/924383021.db2.gz BNSDXRHODMPSKH-MNOVXSKESA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001394767579 924383195 /nfs/dbraw/zinc/38/31/95/924383195.db2.gz JFIPSMSMEIFKKN-VIFPVBQESA-N 1 1 311.342 -1.707 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001394767579 924383200 /nfs/dbraw/zinc/38/32/00/924383200.db2.gz JFIPSMSMEIFKKN-VIFPVBQESA-N 1 1 311.342 -1.707 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC001394770885 924383344 /nfs/dbraw/zinc/38/33/44/924383344.db2.gz SRJGDWOTUSXKDA-CHWSQXEVSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394764877 924383647 /nfs/dbraw/zinc/38/36/47/924383647.db2.gz BVORUQABYKPJNS-MWLCHTKSSA-N 1 1 302.375 -1.910 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394764877 924383650 /nfs/dbraw/zinc/38/36/50/924383650.db2.gz BVORUQABYKPJNS-MWLCHTKSSA-N 1 1 302.375 -1.910 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1)c1nnnn1C ZINC001394767631 924383662 /nfs/dbraw/zinc/38/36/62/924383662.db2.gz ZBOUVEZWSVIMFK-GHMZBOCLSA-N 1 1 322.373 -1.423 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001394770893 924383715 /nfs/dbraw/zinc/38/37/15/924383715.db2.gz SRJGDWOTUSXKDA-QWHCGFSZSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001394771340 924383910 /nfs/dbraw/zinc/38/39/10/924383910.db2.gz VDHFUNXDGSWTIG-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001394771340 924383917 /nfs/dbraw/zinc/38/39/17/924383917.db2.gz VDHFUNXDGSWTIG-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO COCCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001394764232 924384139 /nfs/dbraw/zinc/38/41/39/924384139.db2.gz QOBPNWOUDIVJMT-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1ccnc1)c1nnnn1C ZINC001394767641 924384282 /nfs/dbraw/zinc/38/42/82/924384282.db2.gz ZBOUVEZWSVIMFK-QWRGUYRKSA-N 1 1 322.373 -1.423 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394777263 924384817 /nfs/dbraw/zinc/38/48/17/924384817.db2.gz WQASTQKIRLEEQT-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394777263 924384822 /nfs/dbraw/zinc/38/48/22/924384822.db2.gz WQASTQKIRLEEQT-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001394775380 924385181 /nfs/dbraw/zinc/38/51/81/924385181.db2.gz KFHSEHABMDBMFB-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001394775380 924385190 /nfs/dbraw/zinc/38/51/90/924385190.db2.gz KFHSEHABMDBMFB-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001394777943 924385407 /nfs/dbraw/zinc/38/54/07/924385407.db2.gz WGHCHUDALPXIIT-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001394777943 924385413 /nfs/dbraw/zinc/38/54/13/924385413.db2.gz WGHCHUDALPXIIT-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cn[nH]n1 ZINC001394776036 924385829 /nfs/dbraw/zinc/38/58/29/924385829.db2.gz HRHVAVAJMSQHQF-SNVBAGLBSA-N 1 1 308.346 -1.539 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001394774595 924386347 /nfs/dbraw/zinc/38/63/47/924386347.db2.gz DQURCXWPCHDNAX-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001394774596 924386388 /nfs/dbraw/zinc/38/63/88/924386388.db2.gz DQURCXWPCHDNAX-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CCc1nnsc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001394776366 924386954 /nfs/dbraw/zinc/38/69/54/924386954.db2.gz JIQUNVDHFNUOJD-MRVPVSSYSA-N 1 1 315.399 -1.050 20 0 DAADMO CCc1nnsc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001394776366 924386961 /nfs/dbraw/zinc/38/69/61/924386961.db2.gz JIQUNVDHFNUOJD-MRVPVSSYSA-N 1 1 315.399 -1.050 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001394777111 924386998 /nfs/dbraw/zinc/38/69/98/924386998.db2.gz MOTAKYLCJWLJLK-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001394777111 924387007 /nfs/dbraw/zinc/38/70/07/924387007.db2.gz MOTAKYLCJWLJLK-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394775263 924387036 /nfs/dbraw/zinc/38/70/36/924387036.db2.gz DARCZZIRQJSZSF-SNVBAGLBSA-N 1 1 312.374 -1.352 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394775263 924387044 /nfs/dbraw/zinc/38/70/44/924387044.db2.gz DARCZZIRQJSZSF-SNVBAGLBSA-N 1 1 312.374 -1.352 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1nccn1C ZINC001394778000 924387848 /nfs/dbraw/zinc/38/78/48/924387848.db2.gz AUELXHPGEXNWSV-NSHDSACASA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1nccn1C ZINC001394778000 924387852 /nfs/dbraw/zinc/38/78/52/924387852.db2.gz AUELXHPGEXNWSV-NSHDSACASA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001394785247 924387872 /nfs/dbraw/zinc/38/78/72/924387872.db2.gz NIHOJEIKZPKZJI-LLVKDONJSA-N 1 1 323.353 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001394785907 924388007 /nfs/dbraw/zinc/38/80/07/924388007.db2.gz LGDIETJNNMHGQP-VIFPVBQESA-N 1 1 314.346 -3.182 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001394785907 924388010 /nfs/dbraw/zinc/38/80/10/924388010.db2.gz LGDIETJNNMHGQP-VIFPVBQESA-N 1 1 314.346 -3.182 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780843 924388203 /nfs/dbraw/zinc/38/82/03/924388203.db2.gz FXXUOBVXKXSYGP-KVSVUVNWSA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780843 924388208 /nfs/dbraw/zinc/38/82/08/924388208.db2.gz FXXUOBVXKXSYGP-KVSVUVNWSA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780828 924388325 /nfs/dbraw/zinc/38/83/25/924388325.db2.gz FXXUOBVXKXSYGP-FHUSYTEZSA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780828 924388329 /nfs/dbraw/zinc/38/83/29/924388329.db2.gz FXXUOBVXKXSYGP-FHUSYTEZSA-N 1 1 313.398 -1.236 20 0 DAADMO COc1ccc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nc1 ZINC001394781557 924388584 /nfs/dbraw/zinc/38/85/84/924388584.db2.gz GSHVZQGRKVTZLW-LBPRGKRZSA-N 1 1 324.381 -1.131 20 0 DAADMO COc1ccc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nc1 ZINC001394781557 924388593 /nfs/dbraw/zinc/38/85/93/924388593.db2.gz GSHVZQGRKVTZLW-LBPRGKRZSA-N 1 1 324.381 -1.131 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001394785493 924388642 /nfs/dbraw/zinc/38/86/42/924388642.db2.gz JPUZNNGNYPISBS-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001394785493 924388649 /nfs/dbraw/zinc/38/86/49/924388649.db2.gz JPUZNNGNYPISBS-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CCCF ZINC001394785911 924388743 /nfs/dbraw/zinc/38/87/43/924388743.db2.gz IZKILTISWPIKEV-SECBINFHSA-N 1 1 306.338 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCCF ZINC001394785911 924388749 /nfs/dbraw/zinc/38/87/49/924388749.db2.gz IZKILTISWPIKEV-SECBINFHSA-N 1 1 306.338 -1.318 20 0 DAADMO CCn1cc(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001394781274 924388800 /nfs/dbraw/zinc/38/88/00/924388800.db2.gz NTEOISOGFBQEQR-GFCCVEGCSA-N 1 1 311.386 -1.318 20 0 DAADMO CCn1cc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001394781274 924388808 /nfs/dbraw/zinc/38/88/08/924388808.db2.gz NTEOISOGFBQEQR-GFCCVEGCSA-N 1 1 311.386 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001394779141 924388889 /nfs/dbraw/zinc/38/88/89/924388889.db2.gz UXQZKPCBLQRYGE-NSHDSACASA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C1CS(=O)(=O)C1 ZINC001394779141 924388900 /nfs/dbraw/zinc/38/89/00/924388900.db2.gz UXQZKPCBLQRYGE-NSHDSACASA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)COc1cccnc1 ZINC001394785962 924388921 /nfs/dbraw/zinc/38/89/21/924388921.db2.gz OBQDDYOLUSVGQD-NSHDSACASA-N 1 1 310.354 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)COc1cccnc1 ZINC001394785962 924388933 /nfs/dbraw/zinc/38/89/33/924388933.db2.gz OBQDDYOLUSVGQD-NSHDSACASA-N 1 1 310.354 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001394785496 924389063 /nfs/dbraw/zinc/38/90/63/924389063.db2.gz JPUZNNGNYPISBS-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001394785496 924389073 /nfs/dbraw/zinc/38/90/73/924389073.db2.gz JPUZNNGNYPISBS-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CCn1cc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001394781276 924389211 /nfs/dbraw/zinc/38/92/11/924389211.db2.gz NTEOISOGFBQEQR-LBPRGKRZSA-N 1 1 311.386 -1.318 20 0 DAADMO CCn1cc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001394781276 924389217 /nfs/dbraw/zinc/38/92/17/924389217.db2.gz NTEOISOGFBQEQR-LBPRGKRZSA-N 1 1 311.386 -1.318 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001394778098 924389511 /nfs/dbraw/zinc/38/95/11/924389511.db2.gz XDCAZCNONLXHAR-VIFPVBQESA-N 1 1 303.363 -2.458 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001394778098 924389518 /nfs/dbraw/zinc/38/95/18/924389518.db2.gz XDCAZCNONLXHAR-VIFPVBQESA-N 1 1 303.363 -2.458 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001394785754 924389567 /nfs/dbraw/zinc/38/95/67/924389567.db2.gz QVAOULDASLRORB-JTQLQIEISA-N 1 1 312.370 -1.531 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394782845 924389728 /nfs/dbraw/zinc/38/97/28/924389728.db2.gz JXIRNYOJQHHPFG-IEECTRCBSA-N 1 1 311.382 -1.482 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790951 924390191 /nfs/dbraw/zinc/39/01/91/924390191.db2.gz DVQOWCGINRUABE-QWRGUYRKSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790951 924390202 /nfs/dbraw/zinc/39/02/02/924390202.db2.gz DVQOWCGINRUABE-QWRGUYRKSA-N 1 1 324.381 -1.376 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001394791409 924390476 /nfs/dbraw/zinc/39/04/76/924390476.db2.gz OPBFNLRBOLBRTF-QWHCGFSZSA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001394790192 924390705 /nfs/dbraw/zinc/39/07/05/924390705.db2.gz VEQKLKFHWLPZQW-JTQLQIEISA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001394790192 924390715 /nfs/dbraw/zinc/39/07/15/924390715.db2.gz VEQKLKFHWLPZQW-JTQLQIEISA-N 1 1 310.358 -1.552 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394791374 924391291 /nfs/dbraw/zinc/39/12/91/924391291.db2.gz OIZAHWQLFJHHPY-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(C(N)=O)n1 ZINC001394793191 924391351 /nfs/dbraw/zinc/39/13/51/924391351.db2.gz UOKOUSKVGYXHNO-GHMZBOCLSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C[C@H]1CCC(=O)N1 ZINC001394791470 924391480 /nfs/dbraw/zinc/39/14/80/924391480.db2.gz XODPJSZSEMDPBN-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001394791234 924391823 /nfs/dbraw/zinc/39/18/23/924391823.db2.gz NFBHODKJOXZVEN-SNVBAGLBSA-N 1 1 313.358 -1.121 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001394791234 924391827 /nfs/dbraw/zinc/39/18/27/924391827.db2.gz NFBHODKJOXZVEN-SNVBAGLBSA-N 1 1 313.358 -1.121 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncnc1 ZINC001394787842 924391967 /nfs/dbraw/zinc/39/19/67/924391967.db2.gz YKUSLGMJUMNXFH-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncnc1 ZINC001394787842 924391974 /nfs/dbraw/zinc/39/19/74/924391974.db2.gz YKUSLGMJUMNXFH-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCn1ncn(C)c1=O ZINC001394786793 924392013 /nfs/dbraw/zinc/39/20/13/924392013.db2.gz WWYIJXGZIPAYJD-LLVKDONJSA-N 1 1 315.374 -2.285 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394789537 924392037 /nfs/dbraw/zinc/39/20/37/924392037.db2.gz YHHGWDOZPROSKE-LBPRGKRZSA-N 1 1 311.386 -1.311 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394789537 924392041 /nfs/dbraw/zinc/39/20/41/924392041.db2.gz YHHGWDOZPROSKE-LBPRGKRZSA-N 1 1 311.386 -1.311 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001394850455 924393120 /nfs/dbraw/zinc/39/31/20/924393120.db2.gz FRPXDOVFMDVQOF-UEJVZZJDSA-N 1 1 310.362 -1.654 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1cc[nH]n1)[C@H]1CCNC1=O ZINC001394828777 924393342 /nfs/dbraw/zinc/39/33/42/924393342.db2.gz KZVWXLVHEUGKLJ-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1cc[nH]n1)[C@H]1CCNC1=O ZINC001394828777 924393351 /nfs/dbraw/zinc/39/33/51/924393351.db2.gz KZVWXLVHEUGKLJ-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001394796485 924394032 /nfs/dbraw/zinc/39/40/32/924394032.db2.gz ZZUQLAQFPHBMFU-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001394796485 924394040 /nfs/dbraw/zinc/39/40/40/924394040.db2.gz ZZUQLAQFPHBMFU-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C(=O)c1nnn(C)n1)C(C)C ZINC001394803357 924394062 /nfs/dbraw/zinc/39/40/62/924394062.db2.gz AHFUEBOFAGVMQO-NSHDSACASA-N 1 1 314.390 -1.000 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)c1cccn2nnnc12 ZINC001394829114 924394430 /nfs/dbraw/zinc/39/44/30/924394430.db2.gz UDHMCJCRPZMANR-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001394796424 924394459 /nfs/dbraw/zinc/39/44/59/924394459.db2.gz ZAHVVZXLGXPMEX-NSHDSACASA-N 1 1 310.354 -1.102 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001394796424 924394467 /nfs/dbraw/zinc/39/44/67/924394467.db2.gz ZAHVVZXLGXPMEX-NSHDSACASA-N 1 1 310.354 -1.102 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCNC1=O ZINC001394837438 924394770 /nfs/dbraw/zinc/39/47/70/924394770.db2.gz OLQYZJHYASSWEO-NXEZZACHSA-N 1 1 313.358 -2.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCNC1=O ZINC001394837438 924394776 /nfs/dbraw/zinc/39/47/76/924394776.db2.gz OLQYZJHYASSWEO-NXEZZACHSA-N 1 1 313.358 -2.379 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395033031 924399766 /nfs/dbraw/zinc/39/97/66/924399766.db2.gz AGKYQBYYXFTYQG-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)CNC(N)=O ZINC001395170322 924406315 /nfs/dbraw/zinc/40/63/15/924406315.db2.gz UYNSZWNINBBGTP-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001395266079 924410558 /nfs/dbraw/zinc/41/05/58/924410558.db2.gz CWSYGEFJKALLQD-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2nnc[nH]2)C1 ZINC001395209559 924410667 /nfs/dbraw/zinc/41/06/67/924410667.db2.gz WHOZNTVBDMPPLO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001395209559 924410675 /nfs/dbraw/zinc/41/06/75/924410675.db2.gz WHOZNTVBDMPPLO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001395209559 924410680 /nfs/dbraw/zinc/41/06/80/924410680.db2.gz WHOZNTVBDMPPLO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001395209559 924410682 /nfs/dbraw/zinc/41/06/82/924410682.db2.gz WHOZNTVBDMPPLO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001395209559 924410689 /nfs/dbraw/zinc/41/06/89/924410689.db2.gz WHOZNTVBDMPPLO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001395365742 924413384 /nfs/dbraw/zinc/41/33/84/924413384.db2.gz GNRVVEOEYKHYBL-WISYIIOYSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCNC(N)=O ZINC001395570574 924420347 /nfs/dbraw/zinc/42/03/47/924420347.db2.gz FJEMTKVDNJWKPL-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1cnnn1 ZINC001395668541 924424986 /nfs/dbraw/zinc/42/49/86/924424986.db2.gz ICKFSXYGRCCMSM-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001395660375 924425033 /nfs/dbraw/zinc/42/50/33/924425033.db2.gz XUSUABBHRYGRBH-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395684740 924430051 /nfs/dbraw/zinc/43/00/51/924430051.db2.gz GOBDEAYTRLDVAR-WDEREUQCSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cccn2)CC[N@H+]1C ZINC001395693627 924434448 /nfs/dbraw/zinc/43/44/48/924434448.db2.gz SMAQDVFDDRLCGB-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO Cn1cccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395701597 924439000 /nfs/dbraw/zinc/43/90/00/924439000.db2.gz MFFGOMLZOCHSPF-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395701597 924439005 /nfs/dbraw/zinc/43/90/05/924439005.db2.gz MFFGOMLZOCHSPF-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395701596 924439484 /nfs/dbraw/zinc/43/94/84/924439484.db2.gz MFFGOMLZOCHSPF-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395701596 924439489 /nfs/dbraw/zinc/43/94/89/924439489.db2.gz MFFGOMLZOCHSPF-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO CSCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395702061 924440283 /nfs/dbraw/zinc/44/02/83/924440283.db2.gz NHQXBAVQHNTBBJ-QWRGUYRKSA-N 1 1 319.427 -1.337 20 0 DAADMO CSCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395702061 924440286 /nfs/dbraw/zinc/44/02/86/924440286.db2.gz NHQXBAVQHNTBBJ-QWRGUYRKSA-N 1 1 319.427 -1.337 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705774 924442302 /nfs/dbraw/zinc/44/23/02/924442302.db2.gz FRDDNRONLBGKEF-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705774 924442306 /nfs/dbraw/zinc/44/23/06/924442306.db2.gz FRDDNRONLBGKEF-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cccnn1 ZINC001395707290 924442534 /nfs/dbraw/zinc/44/25/34/924442534.db2.gz DOYLVPDMTGUCHT-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1n[nH]cc1F ZINC001395707979 924444185 /nfs/dbraw/zinc/44/41/85/924444185.db2.gz ICZGCQCORBLFKH-WPRPVWTQSA-N 1 1 313.333 -1.150 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001395715400 924446912 /nfs/dbraw/zinc/44/69/12/924446912.db2.gz LIKQRVNNSISORL-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001395715859 924446971 /nfs/dbraw/zinc/44/69/71/924446971.db2.gz MGMZAMAASNVXTM-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001395715403 924447330 /nfs/dbraw/zinc/44/73/30/924447330.db2.gz LIKQRVNNSISORL-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001395733392 924454924 /nfs/dbraw/zinc/45/49/24/924454924.db2.gz BVNDVNGWDVHHHY-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001395737781 924456586 /nfs/dbraw/zinc/45/65/86/924456586.db2.gz ODALYCPGNDQONG-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395737352 924456610 /nfs/dbraw/zinc/45/66/10/924456610.db2.gz MZXWCAUOHFCSST-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001395737320 924456723 /nfs/dbraw/zinc/45/67/23/924456723.db2.gz MVZMOFGBUFGVFF-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCCC(N)=O ZINC001395754246 924463436 /nfs/dbraw/zinc/46/34/36/924463436.db2.gz ARJGWSQECLGSFH-WDEREUQCSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001395762621 924466726 /nfs/dbraw/zinc/46/67/26/924466726.db2.gz FMGSGOIMPXWPJD-MNOVXSKESA-N 1 1 324.385 -1.338 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395767337 924467742 /nfs/dbraw/zinc/46/77/42/924467742.db2.gz YPRIVDQFFUAPKN-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001395764608 924468078 /nfs/dbraw/zinc/46/80/78/924468078.db2.gz IGHZNYGHMQQBOR-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395777033 924472173 /nfs/dbraw/zinc/47/21/73/924472173.db2.gz KOSFKYPLPPCYFK-DGCLKSJQSA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395776225 924472380 /nfs/dbraw/zinc/47/23/80/924472380.db2.gz ADTGTZBPSTWSKV-LBELIVKGSA-N 1 1 311.382 -1.434 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395778229 924473169 /nfs/dbraw/zinc/47/31/69/924473169.db2.gz XTYKOMSDAKAKOB-GHMZBOCLSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395778232 924473957 /nfs/dbraw/zinc/47/39/57/924473957.db2.gz XTYKOMSDAKAKOB-WDEREUQCSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395780420 924475073 /nfs/dbraw/zinc/47/50/73/924475073.db2.gz VXSRUTIQAXIYNX-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cccnn2)C1 ZINC001395791628 924477859 /nfs/dbraw/zinc/47/78/59/924477859.db2.gz LOZXGQISTLNDNI-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cccnn1 ZINC001395792514 924479358 /nfs/dbraw/zinc/47/93/58/924479358.db2.gz NWBBIEIHWVUXCT-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001395797174 924480163 /nfs/dbraw/zinc/48/01/63/924480163.db2.gz APTDIYWVJAWDLG-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2n[nH]cc2F)C1 ZINC001395797126 924480757 /nfs/dbraw/zinc/48/07/57/924480757.db2.gz JVCMWSMUHCISFP-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797126 924480760 /nfs/dbraw/zinc/48/07/60/924480760.db2.gz JVCMWSMUHCISFP-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797126 924480764 /nfs/dbraw/zinc/48/07/64/924480764.db2.gz JVCMWSMUHCISFP-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001395804860 924481909 /nfs/dbraw/zinc/48/19/09/924481909.db2.gz GOPPUMKOTZBODS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395804860 924481920 /nfs/dbraw/zinc/48/19/20/924481920.db2.gz GOPPUMKOTZBODS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395804860 924481933 /nfs/dbraw/zinc/48/19/33/924481933.db2.gz GOPPUMKOTZBODS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001395812669 924483507 /nfs/dbraw/zinc/48/35/07/924483507.db2.gz GXTNLURRCNLJBU-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001395808813 924483610 /nfs/dbraw/zinc/48/36/10/924483610.db2.gz FRXNDABWCCYTKJ-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808813 924483617 /nfs/dbraw/zinc/48/36/17/924483617.db2.gz FRXNDABWCCYTKJ-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808813 924483624 /nfs/dbraw/zinc/48/36/24/924483624.db2.gz FRXNDABWCCYTKJ-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001395808811 924483671 /nfs/dbraw/zinc/48/36/71/924483671.db2.gz FRXNDABWCCYTKJ-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808811 924483684 /nfs/dbraw/zinc/48/36/84/924483684.db2.gz FRXNDABWCCYTKJ-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808811 924483691 /nfs/dbraw/zinc/48/36/91/924483691.db2.gz FRXNDABWCCYTKJ-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001395811224 924484026 /nfs/dbraw/zinc/48/40/26/924484026.db2.gz XQYCGDIUYTUOQN-RYUDHWBXSA-N 1 1 324.381 -1.006 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001395823312 924485519 /nfs/dbraw/zinc/48/55/19/924485519.db2.gz JNDQGCOODVOQFZ-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001395818070 924485541 /nfs/dbraw/zinc/48/55/41/924485541.db2.gz NNPAFRNBWRUBIH-VXGBXAGGSA-N 1 1 307.354 -1.365 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395959991 924491099 /nfs/dbraw/zinc/49/10/99/924491099.db2.gz AYJWBQOWJSYLMN-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395969497 924492007 /nfs/dbraw/zinc/49/20/07/924492007.db2.gz KHTCDPLNYLLKGK-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395969497 924492013 /nfs/dbraw/zinc/49/20/13/924492013.db2.gz KHTCDPLNYLLKGK-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396006766 924498333 /nfs/dbraw/zinc/49/83/33/924498333.db2.gz LSLXEJUUYCDEOS-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396006766 924498343 /nfs/dbraw/zinc/49/83/43/924498343.db2.gz LSLXEJUUYCDEOS-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396006766 924498352 /nfs/dbraw/zinc/49/83/52/924498352.db2.gz LSLXEJUUYCDEOS-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036736 924502848 /nfs/dbraw/zinc/50/28/48/924502848.db2.gz CTDADXCUIAORJL-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036736 924502854 /nfs/dbraw/zinc/50/28/54/924502854.db2.gz CTDADXCUIAORJL-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CNC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001396042724 924504654 /nfs/dbraw/zinc/50/46/54/924504654.db2.gz ZPTNTARGNIVCAS-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396044008 924505006 /nfs/dbraw/zinc/50/50/06/924505006.db2.gz IBVOSLLPYCLEMA-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001396370366 924512427 /nfs/dbraw/zinc/51/24/27/924512427.db2.gz JSDSKXXVMDCCFO-GRYCIOLGSA-N 1 1 312.370 -2.095 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)C1 ZINC001396367190 924512477 /nfs/dbraw/zinc/51/24/77/924512477.db2.gz ACLWSVOIXRDZKZ-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)C1 ZINC001396367190 924512485 /nfs/dbraw/zinc/51/24/85/924512485.db2.gz ACLWSVOIXRDZKZ-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001396375951 924513728 /nfs/dbraw/zinc/51/37/28/924513728.db2.gz DWUPWECXEJRDSK-MVWJERBFSA-N 1 1 310.354 -1.077 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001396393934 924518931 /nfs/dbraw/zinc/51/89/31/924518931.db2.gz YJQCOXVMWKDXHH-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001396389600 924519085 /nfs/dbraw/zinc/51/90/85/924519085.db2.gz BQIFMCJNZRKHGW-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001396389600 924519090 /nfs/dbraw/zinc/51/90/90/924519090.db2.gz BQIFMCJNZRKHGW-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001396430060 924525548 /nfs/dbraw/zinc/52/55/48/924525548.db2.gz GHDZBOORNCGCSU-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001396430060 924525552 /nfs/dbraw/zinc/52/55/52/924525552.db2.gz GHDZBOORNCGCSU-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001396634177 924533222 /nfs/dbraw/zinc/53/32/22/924533222.db2.gz CBYBFLPQVYIFLU-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(=O)NCCN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001396885225 924545075 /nfs/dbraw/zinc/54/50/75/924545075.db2.gz YCWNFTCEIWSTCQ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001396917098 924547553 /nfs/dbraw/zinc/54/75/53/924547553.db2.gz GCNVZKZLMUZINO-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396914557 924547763 /nfs/dbraw/zinc/54/77/63/924547763.db2.gz BXGDGRRGCOPJNV-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001396924121 924549840 /nfs/dbraw/zinc/54/98/40/924549840.db2.gz VTOCPBMUYHUKBE-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001396965433 924551133 /nfs/dbraw/zinc/55/11/33/924551133.db2.gz AHZQYTSSEBNZFU-RYUDHWBXSA-N 1 1 321.385 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001397006958 924552063 /nfs/dbraw/zinc/55/20/63/924552063.db2.gz WCCSRCHFERYVIQ-MNOVXSKESA-N 1 1 310.354 -1.077 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CN1CCCCS1(=O)=O ZINC001396988181 924552256 /nfs/dbraw/zinc/55/22/56/924552256.db2.gz BKCVRYVANFYJQW-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)CCNC(N)=O ZINC001397025657 924553819 /nfs/dbraw/zinc/55/38/19/924553819.db2.gz DVQCNPCDQKZUHF-LLVKDONJSA-N 1 1 309.374 -1.131 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)CCNC(N)=O ZINC001397025657 924553830 /nfs/dbraw/zinc/55/38/30/924553830.db2.gz DVQCNPCDQKZUHF-LLVKDONJSA-N 1 1 309.374 -1.131 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040887 924554709 /nfs/dbraw/zinc/55/47/09/924554709.db2.gz VKARDXGTMRMTST-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040887 924554721 /nfs/dbraw/zinc/55/47/21/924554721.db2.gz VKARDXGTMRMTST-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001397028516 924555246 /nfs/dbraw/zinc/55/52/46/924555246.db2.gz YDTPNHDKVPYVSD-VXGBXAGGSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001397121977 924558019 /nfs/dbraw/zinc/55/80/19/924558019.db2.gz QEYQWXNAHYNHEZ-KYZUINATSA-N 1 1 310.362 -1.877 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001397119456 924558593 /nfs/dbraw/zinc/55/85/93/924558593.db2.gz OFVZJWXLJXMNDP-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397137688 924559891 /nfs/dbraw/zinc/55/98/91/924559891.db2.gz TXHSWCKCMUFQQW-AXFHLTTASA-N 1 1 311.386 -1.288 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001397143705 924560568 /nfs/dbraw/zinc/56/05/68/924560568.db2.gz CCWVXKBBIZUZPX-WDEREUQCSA-N 1 1 309.374 -1.279 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001397214388 924563397 /nfs/dbraw/zinc/56/33/97/924563397.db2.gz QRWZNLAPFIESRX-SNVBAGLBSA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001397214388 924563405 /nfs/dbraw/zinc/56/34/05/924563405.db2.gz QRWZNLAPFIESRX-SNVBAGLBSA-N 1 1 323.353 -1.434 20 0 DAADMO COCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001397211437 924563605 /nfs/dbraw/zinc/56/36/05/924563605.db2.gz VHRCUUAGJLDGQF-MNOVXSKESA-N 1 1 312.370 -1.002 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001397208373 924563786 /nfs/dbraw/zinc/56/37/86/924563786.db2.gz FIIHZYCWXWMISW-LLVKDONJSA-N 1 1 308.400 -1.691 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)NC(N)=O ZINC001397206968 924563872 /nfs/dbraw/zinc/56/38/72/924563872.db2.gz DQTXJNWWIPURGC-MXWKQRLJSA-N 1 1 311.386 -1.301 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H]1C ZINC001397224254 924565488 /nfs/dbraw/zinc/56/54/88/924565488.db2.gz GOUKFFURACTPNU-SCZZXKLOSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H]1C ZINC001397224254 924565495 /nfs/dbraw/zinc/56/54/95/924565495.db2.gz GOUKFFURACTPNU-SCZZXKLOSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001397221675 924566009 /nfs/dbraw/zinc/56/60/09/924566009.db2.gz VJUVKMAUFYYUDX-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001397228902 924566079 /nfs/dbraw/zinc/56/60/79/924566079.db2.gz RLQNXNLUYVWHGX-LBPRGKRZSA-N 1 1 310.354 -1.012 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001397228902 924566086 /nfs/dbraw/zinc/56/60/86/924566086.db2.gz RLQNXNLUYVWHGX-LBPRGKRZSA-N 1 1 310.354 -1.012 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001397252942 924567806 /nfs/dbraw/zinc/56/78/06/924567806.db2.gz JTKHOMCGOLEDIU-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnns2)CC1 ZINC001397284926 924567838 /nfs/dbraw/zinc/56/78/38/924567838.db2.gz UXFALDMPBIQUFR-UHFFFAOYSA-N 1 1 313.383 -1.078 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001397350514 924570530 /nfs/dbraw/zinc/57/05/30/924570530.db2.gz JQIFSGXBTBGDSW-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397394733 924573825 /nfs/dbraw/zinc/57/38/25/924573825.db2.gz VRIDFWDJCVQSGT-ZJUUUORDSA-N 1 1 305.400 -1.396 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001397401318 924574947 /nfs/dbraw/zinc/57/49/47/924574947.db2.gz MSAAZDTURQYHGO-LBELIVKGSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001397401318 924574953 /nfs/dbraw/zinc/57/49/53/924574953.db2.gz MSAAZDTURQYHGO-LBELIVKGSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001397401204 924575811 /nfs/dbraw/zinc/57/58/11/924575811.db2.gz KWEBNWUKZAFHTK-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001397401204 924575819 /nfs/dbraw/zinc/57/58/19/924575819.db2.gz KWEBNWUKZAFHTK-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397447020 924578165 /nfs/dbraw/zinc/57/81/65/924578165.db2.gz FZUKAIUQLCNBJZ-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397440372 924579459 /nfs/dbraw/zinc/57/94/59/924579459.db2.gz UVICEQVAGGYODG-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397532358 924587991 /nfs/dbraw/zinc/58/79/91/924587991.db2.gz JJHIXTINTDUXSO-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001397601672 924591174 /nfs/dbraw/zinc/59/11/74/924591174.db2.gz GNBKDNFVZLSNOX-DTORHVGOSA-N 1 1 305.346 -1.445 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)NC(=O)CC[NH+]1CCOCC1 ZINC001397594382 924591601 /nfs/dbraw/zinc/59/16/01/924591601.db2.gz LABLDUDJEBOISS-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001397666941 924595636 /nfs/dbraw/zinc/59/56/36/924595636.db2.gz ANHDAKSRGATCPF-KYZUINATSA-N 1 1 317.371 -1.397 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001397775686 924598008 /nfs/dbraw/zinc/59/80/08/924598008.db2.gz TUNOHVNCMUPSJE-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001397775686 924598012 /nfs/dbraw/zinc/59/80/12/924598012.db2.gz TUNOHVNCMUPSJE-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001397791031 924600069 /nfs/dbraw/zinc/60/00/69/924600069.db2.gz SOYNULQVYVZFKZ-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001397791031 924600077 /nfs/dbraw/zinc/60/00/77/924600077.db2.gz SOYNULQVYVZFKZ-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001397797122 924600538 /nfs/dbraw/zinc/60/05/38/924600538.db2.gz XETLHXJQERXZAC-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001397797122 924600545 /nfs/dbraw/zinc/60/05/45/924600545.db2.gz XETLHXJQERXZAC-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397825195 924600778 /nfs/dbraw/zinc/60/07/78/924600778.db2.gz WSGVBBOZFUMHIA-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397825195 924600781 /nfs/dbraw/zinc/60/07/81/924600781.db2.gz WSGVBBOZFUMHIA-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccn(C)n1 ZINC001397882930 924606262 /nfs/dbraw/zinc/60/62/62/924606262.db2.gz LLGMZRMQWAJJAF-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccn(C)n1 ZINC001397882930 924606266 /nfs/dbraw/zinc/60/62/66/924606266.db2.gz LLGMZRMQWAJJAF-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)CN1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001397898302 924607736 /nfs/dbraw/zinc/60/77/36/924607736.db2.gz PHWMUNZRQHSZBQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397897275 924608639 /nfs/dbraw/zinc/60/86/39/924608639.db2.gz CFFFKLBWTCKGLV-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cnc[nH]1 ZINC001397891766 924608743 /nfs/dbraw/zinc/60/87/43/924608743.db2.gz VMXLHWBLZMRZRO-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnc[nH]1 ZINC001397891766 924608749 /nfs/dbraw/zinc/60/87/49/924608749.db2.gz VMXLHWBLZMRZRO-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO C[C@H](CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001397907696 924609572 /nfs/dbraw/zinc/60/95/72/924609572.db2.gz FBWUCOFNBYLWLQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CCNC(N)=O)CC[N@H+]1C ZINC001397912078 924611800 /nfs/dbraw/zinc/61/18/00/924611800.db2.gz RVWNSCBZKZHOJH-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397919777 924612111 /nfs/dbraw/zinc/61/21/11/924612111.db2.gz OAOMNADVARAKPL-UHFFFAOYSA-N 1 1 322.431 -1.550 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397934423 924613324 /nfs/dbraw/zinc/61/33/24/924613324.db2.gz DNPSRJTWPOZGQV-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cnon2)C1 ZINC001397927140 924613367 /nfs/dbraw/zinc/61/33/67/924613367.db2.gz HFSGFNHQFZEDOF-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cnon2)C1 ZINC001397927140 924613373 /nfs/dbraw/zinc/61/33/73/924613373.db2.gz HFSGFNHQFZEDOF-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncn(C)c1=O ZINC001397930167 924613578 /nfs/dbraw/zinc/61/35/78/924613578.db2.gz SVRYETIWHKCHED-LLVKDONJSA-N 1 1 324.385 -1.892 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)Cn2ncnn2)CC[N@H+]1C ZINC001397922048 924613609 /nfs/dbraw/zinc/61/36/09/924613609.db2.gz IBCQDOPNNLATPG-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO COC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397925940 924613643 /nfs/dbraw/zinc/61/36/43/924613643.db2.gz GCPUTWCQXYBFKF-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cnon2)C1 ZINC001397927196 924613651 /nfs/dbraw/zinc/61/36/51/924613651.db2.gz HFSGFNHQFZEDOF-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cnon2)C1 ZINC001397927196 924613653 /nfs/dbraw/zinc/61/36/53/924613653.db2.gz HFSGFNHQFZEDOF-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397982887 924618045 /nfs/dbraw/zinc/61/80/45/924618045.db2.gz VKFSJICHKHKOAK-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397982883 924618080 /nfs/dbraw/zinc/61/80/80/924618080.db2.gz VKFSJICHKHKOAK-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397992251 924618532 /nfs/dbraw/zinc/61/85/32/924618532.db2.gz PCJUJUDLWDXHGA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001398091508 924624638 /nfs/dbraw/zinc/62/46/38/924624638.db2.gz YFQJUYDUDLLHDS-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001398086591 924624695 /nfs/dbraw/zinc/62/46/95/924624695.db2.gz FRVHRWGKGCRXOH-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001398086591 924624700 /nfs/dbraw/zinc/62/47/00/924624700.db2.gz FRVHRWGKGCRXOH-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CC)C(=O)[C@H]1CNC(=O)N1 ZINC001398127745 924626838 /nfs/dbraw/zinc/62/68/38/924626838.db2.gz SQRGWKJWYXDYOJ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)CNC(N)=O)C1 ZINC001398165699 924628210 /nfs/dbraw/zinc/62/82/10/924628210.db2.gz DHNDJUOJHAIUAH-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001398230376 924630559 /nfs/dbraw/zinc/63/05/59/924630559.db2.gz JEVDRKSCSUQMIC-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001398230376 924630565 /nfs/dbraw/zinc/63/05/65/924630565.db2.gz JEVDRKSCSUQMIC-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001398286005 924634116 /nfs/dbraw/zinc/63/41/16/924634116.db2.gz BCMYRBKQNWGLSQ-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001398286005 924634118 /nfs/dbraw/zinc/63/41/18/924634118.db2.gz BCMYRBKQNWGLSQ-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001398283431 924634215 /nfs/dbraw/zinc/63/42/15/924634215.db2.gz CVWCFINPWIMLGU-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001398283431 924634218 /nfs/dbraw/zinc/63/42/18/924634218.db2.gz CVWCFINPWIMLGU-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001398283381 924634402 /nfs/dbraw/zinc/63/44/02/924634402.db2.gz BVRHERLDRNOWGK-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001398294963 924635588 /nfs/dbraw/zinc/63/55/88/924635588.db2.gz VHWSENXODZIHQD-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001398294963 924635593 /nfs/dbraw/zinc/63/55/93/924635593.db2.gz VHWSENXODZIHQD-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001398296486 924635640 /nfs/dbraw/zinc/63/56/40/924635640.db2.gz PUJKDGLVBMTUPK-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001398320588 924635657 /nfs/dbraw/zinc/63/56/57/924635657.db2.gz CBKUCJLUMVIWNM-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001398320588 924635663 /nfs/dbraw/zinc/63/56/63/924635663.db2.gz CBKUCJLUMVIWNM-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001398294966 924635910 /nfs/dbraw/zinc/63/59/10/924635910.db2.gz VHWSENXODZIHQD-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001398294966 924635914 /nfs/dbraw/zinc/63/59/14/924635914.db2.gz VHWSENXODZIHQD-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001398303908 924636177 /nfs/dbraw/zinc/63/61/77/924636177.db2.gz RZPOEPKNUPMBKS-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001398303905 924636336 /nfs/dbraw/zinc/63/63/36/924636336.db2.gz RZPOEPKNUPMBKS-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329098 924638696 /nfs/dbraw/zinc/63/86/96/924638696.db2.gz KOAHLEHWNTWHDG-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329098 924638701 /nfs/dbraw/zinc/63/87/01/924638701.db2.gz KOAHLEHWNTWHDG-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1cnnn1C)C1CC1 ZINC001398388229 924641092 /nfs/dbraw/zinc/64/10/92/924641092.db2.gz BNOROXVPQFLKTK-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001398440814 924642266 /nfs/dbraw/zinc/64/22/66/924642266.db2.gz UUNVGJMUXLBUOY-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001398440823 924642534 /nfs/dbraw/zinc/64/25/34/924642534.db2.gz UUNVGJMUXLBUOY-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001398458047 924643061 /nfs/dbraw/zinc/64/30/61/924643061.db2.gz SJGKUNICGIEJTI-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(NC[C@@H]([NH2+]Cc1cnon1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001398441337 924643284 /nfs/dbraw/zinc/64/32/84/924643284.db2.gz PNRPPWVOZJTSOW-VHSXEESVSA-N 1 1 322.325 -1.348 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001398504523 924645114 /nfs/dbraw/zinc/64/51/14/924645114.db2.gz QACAESIFUHJPIF-NSHDSACASA-N 1 1 322.369 -1.365 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001398531330 924646924 /nfs/dbraw/zinc/64/69/24/924646924.db2.gz CWIJHBQJCOQAJE-GUBZILKMSA-N 1 1 315.399 -1.015 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398581606 924652990 /nfs/dbraw/zinc/65/29/90/924652990.db2.gz AVJIZAFIQPCSBP-SNVBAGLBSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CCS(C)(=O)=O)C2)C1 ZINC001398605588 924655697 /nfs/dbraw/zinc/65/56/97/924655697.db2.gz PPLWGYICBFTVBA-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001398616730 924656850 /nfs/dbraw/zinc/65/68/50/924656850.db2.gz CWIJHBQJCOQAJE-LPEHRKFASA-N 1 1 315.399 -1.015 20 0 DAADMO CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398621599 924657375 /nfs/dbraw/zinc/65/73/75/924657375.db2.gz JENSESXMGHYYOW-OUAUKWLOSA-N 1 1 311.386 -1.098 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CCS(C)(=O)=O)C2)C1 ZINC001398649984 924661196 /nfs/dbraw/zinc/66/11/96/924661196.db2.gz YQESHAFRKLIDNW-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COC)C1 ZINC001398664993 924661445 /nfs/dbraw/zinc/66/14/45/924661445.db2.gz QAIMTECHEJURDV-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COC)C1 ZINC001398664993 924661450 /nfs/dbraw/zinc/66/14/50/924661450.db2.gz QAIMTECHEJURDV-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001398689962 924662556 /nfs/dbraw/zinc/66/25/56/924662556.db2.gz PJUQNMMRLKSNOF-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CS(=O)(=O)NC)C1 ZINC001398687097 924662600 /nfs/dbraw/zinc/66/26/00/924662600.db2.gz FNSNURLLTZSRGO-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001398697230 924664627 /nfs/dbraw/zinc/66/46/27/924664627.db2.gz SOCMRSHESBCMAI-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398709120 924664978 /nfs/dbraw/zinc/66/49/78/924664978.db2.gz ZDQITFKYRDKTEY-SNVBAGLBSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3cccn3)C2)C1 ZINC001398715294 924667245 /nfs/dbraw/zinc/66/72/45/924667245.db2.gz NXBJVQFKIKYPEU-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3cccn3)C2)C1 ZINC001398715294 924667251 /nfs/dbraw/zinc/66/72/51/924667251.db2.gz NXBJVQFKIKYPEU-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001398735284 924668081 /nfs/dbraw/zinc/66/80/81/924668081.db2.gz QOVGFNMNAUXPLX-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001398735284 924668085 /nfs/dbraw/zinc/66/80/85/924668085.db2.gz QOVGFNMNAUXPLX-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001398770351 924669702 /nfs/dbraw/zinc/66/97/02/924669702.db2.gz MVMLDRSIGZBJNN-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001398757482 924670715 /nfs/dbraw/zinc/67/07/15/924670715.db2.gz ZEFHUVXWTZAONY-NSHDSACASA-N 1 1 311.386 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 ZINC001398796669 924671583 /nfs/dbraw/zinc/67/15/83/924671583.db2.gz PEYHUNKBLGFICS-JZRPKSSGSA-N 1 1 309.370 -1.107 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001398789108 924671772 /nfs/dbraw/zinc/67/17/72/924671772.db2.gz RZLNETALKOMIFW-SNVBAGLBSA-N 1 1 311.386 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 ZINC001398796692 924671992 /nfs/dbraw/zinc/67/19/92/924671992.db2.gz PEYHUNKBLGFICS-OBPIAQAESA-N 1 1 309.370 -1.107 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001398791257 924672488 /nfs/dbraw/zinc/67/24/88/924672488.db2.gz KBFCULHGYVDMDO-LLVKDONJSA-N 1 1 321.385 -1.411 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001398813671 924673597 /nfs/dbraw/zinc/67/35/97/924673597.db2.gz NAGNVEXULUERFW-PREPNJAASA-N 1 1 312.370 -1.936 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12CCOC2 ZINC001398816143 924673746 /nfs/dbraw/zinc/67/37/46/924673746.db2.gz VKYVOIVLUPKAFW-FJSXFWSSSA-N 1 1 322.365 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12CCOC2 ZINC001398816143 924673753 /nfs/dbraw/zinc/67/37/53/924673753.db2.gz VKYVOIVLUPKAFW-FJSXFWSSSA-N 1 1 322.365 -1.346 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+][C@@H](C)c1nnnn1C ZINC001398903430 924676881 /nfs/dbraw/zinc/67/68/81/924676881.db2.gz ZUQPXERLWCZING-IUCAKERBSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+][C@@H](C)c1nnnn1C ZINC001398903428 924677034 /nfs/dbraw/zinc/67/70/34/924677034.db2.gz ZUQPXERLWCZING-BDAKNGLRSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)[NH2+][C@@H](C)c1nnnn1C ZINC001398901075 924677204 /nfs/dbraw/zinc/67/72/04/924677204.db2.gz DKJRRAMTCFGMHN-YUMQZZPRSA-N 1 1 307.362 -1.005 20 0 DAADMO C[C@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCN1CCNC1=O ZINC001398896679 924677388 /nfs/dbraw/zinc/67/73/88/924677388.db2.gz WMVCJUUISRGOBN-SNVBAGLBSA-N 1 1 309.374 -1.143 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001398938510 924679733 /nfs/dbraw/zinc/67/97/33/924679733.db2.gz OCYDLWQTOHCBQA-IUCAKERBSA-N 1 1 309.374 -1.156 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[NH2+]Cc1ccon1 ZINC001398973745 924682352 /nfs/dbraw/zinc/68/23/52/924682352.db2.gz YNKUVNRQFATJEE-JTQLQIEISA-N 1 1 321.337 -1.171 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1nnnn1C ZINC001399019523 924683946 /nfs/dbraw/zinc/68/39/46/924683946.db2.gz GVXWMHXTBUEVAB-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO COc1nccc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001398994592 924684326 /nfs/dbraw/zinc/68/43/26/924684326.db2.gz CKRWFIHLXKXCLF-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001399016647 924684627 /nfs/dbraw/zinc/68/46/27/924684627.db2.gz CBUCWUVHFUFIEJ-NXEZZACHSA-N 1 1 317.415 -1.048 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1nnnn1C ZINC001399019563 924684827 /nfs/dbraw/zinc/68/48/27/924684827.db2.gz GVXWMHXTBUEVAB-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001398992354 924684843 /nfs/dbraw/zinc/68/48/43/924684843.db2.gz DETCEORFGGHQDS-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCNC(=O)C1 ZINC001399020102 924684967 /nfs/dbraw/zinc/68/49/67/924684967.db2.gz ISOBUJCBNRMYTA-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001399044065 924686354 /nfs/dbraw/zinc/68/63/54/924686354.db2.gz YKEBKQIEULKDGB-APPZFPTMSA-N 1 1 319.387 -1.090 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1coc(C)n1 ZINC001399029681 924686496 /nfs/dbraw/zinc/68/64/96/924686496.db2.gz PAQFUPYGTOTZNI-MRVPVSSYSA-N 1 1 319.387 -1.369 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)nn1 ZINC001399047380 924686714 /nfs/dbraw/zinc/68/67/14/924686714.db2.gz ZYENEFZSUJBIKB-LLVKDONJSA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1nnnn1C ZINC001399085329 924688192 /nfs/dbraw/zinc/68/81/92/924688192.db2.gz AOVXYEYXKOOZGF-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001399100513 924688885 /nfs/dbraw/zinc/68/88/85/924688885.db2.gz KWTZUYNDFSAJQZ-VIFPVBQESA-N 1 1 320.357 -1.237 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)Cn1cncn1 ZINC001399102842 924689066 /nfs/dbraw/zinc/68/90/66/924689066.db2.gz JDESBDKHALNUET-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](CNC(=O)CCN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001399094131 924689964 /nfs/dbraw/zinc/68/99/64/924689964.db2.gz DFMZFMSVTRWACT-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001399183778 924692002 /nfs/dbraw/zinc/69/20/02/924692002.db2.gz OAIKQQQRXAFNAA-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399258046 924694796 /nfs/dbraw/zinc/69/47/96/924694796.db2.gz KWQCSYVESUYEOG-ZJUUUORDSA-N 1 1 324.389 -1.344 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001399292894 924694988 /nfs/dbraw/zinc/69/49/88/924694988.db2.gz YYFXJCKJTARYMD-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001399277735 924695372 /nfs/dbraw/zinc/69/53/72/924695372.db2.gz AIAYSYDIGFRGFQ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001399277735 924695375 /nfs/dbraw/zinc/69/53/75/924695375.db2.gz AIAYSYDIGFRGFQ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1)S(C)(=O)=O ZINC001399282232 924695456 /nfs/dbraw/zinc/69/54/56/924695456.db2.gz FYYNRTXISQGEGK-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399334343 924698089 /nfs/dbraw/zinc/69/80/89/924698089.db2.gz FDLGCTUJAKFRJH-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnn(C)n1 ZINC001399383158 924700174 /nfs/dbraw/zinc/70/01/74/924700174.db2.gz KQOQZKVJMWSFFB-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001399479700 924704166 /nfs/dbraw/zinc/70/41/66/924704166.db2.gz BMIQEMDNONTRQQ-LLVKDONJSA-N 1 1 310.358 -1.525 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001399479700 924704172 /nfs/dbraw/zinc/70/41/72/924704172.db2.gz BMIQEMDNONTRQQ-LLVKDONJSA-N 1 1 310.358 -1.525 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC001399430646 924704316 /nfs/dbraw/zinc/70/43/16/924704316.db2.gz ACEVLIWKERELQI-UHFFFAOYSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001399512546 924705768 /nfs/dbraw/zinc/70/57/68/924705768.db2.gz LSDHXXWMGISQMM-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001399512546 924705773 /nfs/dbraw/zinc/70/57/73/924705773.db2.gz LSDHXXWMGISQMM-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001399490135 924706132 /nfs/dbraw/zinc/70/61/32/924706132.db2.gz ZGMXTQMUFYSBTK-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001399490135 924706136 /nfs/dbraw/zinc/70/61/36/924706136.db2.gz ZGMXTQMUFYSBTK-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)CCc2ccnn2C)c1=O ZINC001399515783 924706156 /nfs/dbraw/zinc/70/61/56/924706156.db2.gz MWNFMADSIAUJNV-UHFFFAOYSA-N 1 1 321.385 -1.394 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C(=O)C1CC1 ZINC001399483265 924706610 /nfs/dbraw/zinc/70/66/10/924706610.db2.gz DGACDMCPXJCVIT-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1CC1 ZINC001399483265 924706619 /nfs/dbraw/zinc/70/66/19/924706619.db2.gz DGACDMCPXJCVIT-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001399499686 924707459 /nfs/dbraw/zinc/70/74/59/924707459.db2.gz ZKZIYFODUZIQRG-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001399561208 924707903 /nfs/dbraw/zinc/70/79/03/924707903.db2.gz PRIWVXQSKNEHTH-LBPRGKRZSA-N 1 1 323.401 -1.033 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001399527921 924708502 /nfs/dbraw/zinc/70/85/02/924708502.db2.gz TXKSBKDTNGKFOR-NWDGAFQWSA-N 1 1 316.402 -1.168 20 0 DAADMO C[N@H+](CCNC(=O)c1csnn1)CCNS(C)(=O)=O ZINC001399524975 924708677 /nfs/dbraw/zinc/70/86/77/924708677.db2.gz KGLWISQOBOORLG-UHFFFAOYSA-N 1 1 307.401 -1.251 20 0 DAADMO C[N@@H+](CCNC(=O)c1csnn1)CCNS(C)(=O)=O ZINC001399524975 924708688 /nfs/dbraw/zinc/70/86/88/924708688.db2.gz KGLWISQOBOORLG-UHFFFAOYSA-N 1 1 307.401 -1.251 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001399565489 924709168 /nfs/dbraw/zinc/70/91/68/924709168.db2.gz AZPFMTYHBMEQQC-LBPRGKRZSA-N 1 1 304.322 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001399565489 924709177 /nfs/dbraw/zinc/70/91/77/924709177.db2.gz AZPFMTYHBMEQQC-LBPRGKRZSA-N 1 1 304.322 -1.381 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399517831 924709589 /nfs/dbraw/zinc/70/95/89/924709589.db2.gz RFGXCKFDHNVGLH-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399517831 924709598 /nfs/dbraw/zinc/70/95/98/924709598.db2.gz RFGXCKFDHNVGLH-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001399654070 924713134 /nfs/dbraw/zinc/71/31/34/924713134.db2.gz HXIKZWPHTCUISI-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001399654070 924713138 /nfs/dbraw/zinc/71/31/38/924713138.db2.gz HXIKZWPHTCUISI-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCOCC1 ZINC001399652355 924713616 /nfs/dbraw/zinc/71/36/16/924713616.db2.gz HVSKHRVIDICKHI-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001399615537 924713779 /nfs/dbraw/zinc/71/37/79/924713779.db2.gz FFZHSFXAVIUDIF-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001399615537 924713787 /nfs/dbraw/zinc/71/37/87/924713787.db2.gz FFZHSFXAVIUDIF-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001399652990 924714065 /nfs/dbraw/zinc/71/40/65/924714065.db2.gz FIHZSKISTOVYFE-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cncn1)CCNS(C)(=O)=O ZINC001399647351 924714541 /nfs/dbraw/zinc/71/45/41/924714541.db2.gz OOAZVACONWQKGU-UHFFFAOYSA-N 1 1 304.376 -2.125 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)CCNS(C)(=O)=O ZINC001399647351 924714550 /nfs/dbraw/zinc/71/45/50/924714550.db2.gz OOAZVACONWQKGU-UHFFFAOYSA-N 1 1 304.376 -2.125 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001399660174 924716110 /nfs/dbraw/zinc/71/61/10/924716110.db2.gz WLCWUICWDZBBAE-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001399660174 924716121 /nfs/dbraw/zinc/71/61/21/924716121.db2.gz WLCWUICWDZBBAE-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001399660146 924716170 /nfs/dbraw/zinc/71/61/70/924716170.db2.gz VMHGNHLFBSZDJZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001399660146 924716179 /nfs/dbraw/zinc/71/61/79/924716179.db2.gz VMHGNHLFBSZDJZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399686505 924717159 /nfs/dbraw/zinc/71/71/59/924717159.db2.gz ICQHNLIEIIXXJW-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(=O)NC ZINC001399699210 924717561 /nfs/dbraw/zinc/71/75/61/924717561.db2.gz MYOUUFMRIDMFOG-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(=O)NC ZINC001399699210 924717570 /nfs/dbraw/zinc/71/75/70/924717570.db2.gz MYOUUFMRIDMFOG-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)NC(N)=O ZINC001399712077 924717611 /nfs/dbraw/zinc/71/76/11/924717611.db2.gz VFDDSBLHOFMYFQ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)CC(=O)NC(N)=O ZINC001399712077 924717621 /nfs/dbraw/zinc/71/76/21/924717621.db2.gz VFDDSBLHOFMYFQ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC001399685472 924717769 /nfs/dbraw/zinc/71/77/69/924717769.db2.gz CZIIJECRAFZRDR-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC001399685472 924717779 /nfs/dbraw/zinc/71/77/79/924717779.db2.gz CZIIJECRAFZRDR-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnnn1C)[C@@H](C)C(=O)NC(N)=O ZINC001399697707 924717810 /nfs/dbraw/zinc/71/78/10/924717810.db2.gz ZPDNNMNTJSXHHS-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnnn1C)[C@@H](C)C(=O)NC(N)=O ZINC001399697707 924717820 /nfs/dbraw/zinc/71/78/20/924717820.db2.gz ZPDNNMNTJSXHHS-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)NC(N)=O ZINC001399712088 924717869 /nfs/dbraw/zinc/71/78/69/924717869.db2.gz VFDDSBLHOFMYFQ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)CC(=O)NC(N)=O ZINC001399712088 924717880 /nfs/dbraw/zinc/71/78/80/924717880.db2.gz VFDDSBLHOFMYFQ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)[C@@H]1CCN(C)C1=O ZINC001399713459 924717994 /nfs/dbraw/zinc/71/79/94/924717994.db2.gz OFABAPCSXZUVSF-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@H]1CCNC1=O ZINC001399705994 924718739 /nfs/dbraw/zinc/71/87/39/924718739.db2.gz JAAQPYBEFAMBDQ-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CCOC)nn1)[C@H]1CCNC1=O ZINC001399715718 924719123 /nfs/dbraw/zinc/71/91/23/924719123.db2.gz PHWRSLWGCWNBMI-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@H]1CCNC1=O ZINC001399733953 924719399 /nfs/dbraw/zinc/71/93/99/924719399.db2.gz IYTSOIBYGVERGT-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001399717147 924719820 /nfs/dbraw/zinc/71/98/20/924719820.db2.gz YTRJAEYAEQCPTM-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H]1CCNC1=O ZINC001399725881 924720589 /nfs/dbraw/zinc/72/05/89/924720589.db2.gz NNUCREFOPBDITH-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001399757940 924723699 /nfs/dbraw/zinc/72/36/99/924723699.db2.gz UZDQLVLMGZLDBX-ZJUUUORDSA-N 1 1 323.340 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766598 924724632 /nfs/dbraw/zinc/72/46/32/924724632.db2.gz YUEXZLJPVKTXNY-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766598 924724642 /nfs/dbraw/zinc/72/46/42/924724642.db2.gz YUEXZLJPVKTXNY-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001399769853 924724773 /nfs/dbraw/zinc/72/47/73/924724773.db2.gz FXGQRZAANMCEIF-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001399769853 924724779 /nfs/dbraw/zinc/72/47/79/924724779.db2.gz FXGQRZAANMCEIF-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767715 924724906 /nfs/dbraw/zinc/72/49/06/924724906.db2.gz NNCGCFNQAMNJLZ-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767715 924724909 /nfs/dbraw/zinc/72/49/09/924724909.db2.gz NNCGCFNQAMNJLZ-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766584 924725294 /nfs/dbraw/zinc/72/52/94/924725294.db2.gz YUEXZLJPVKTXNY-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766584 924725306 /nfs/dbraw/zinc/72/53/06/924725306.db2.gz YUEXZLJPVKTXNY-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779573 924726658 /nfs/dbraw/zinc/72/66/58/924726658.db2.gz DBQKYVVKOSSESO-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779573 924726664 /nfs/dbraw/zinc/72/66/64/924726664.db2.gz DBQKYVVKOSSESO-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001399777399 924726802 /nfs/dbraw/zinc/72/68/02/924726802.db2.gz WUMZYEDEVXCXPB-LLVKDONJSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C(=O)NC ZINC001399774514 924726823 /nfs/dbraw/zinc/72/68/23/924726823.db2.gz MOIANCKQGRWTGE-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C(=O)NC ZINC001399774514 924726830 /nfs/dbraw/zinc/72/68/30/924726830.db2.gz MOIANCKQGRWTGE-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399785390 924728195 /nfs/dbraw/zinc/72/81/95/924728195.db2.gz IFNNPOFDKQYKRV-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001399787694 924728883 /nfs/dbraw/zinc/72/88/83/924728883.db2.gz IWKUBQWYXJIOHF-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001399787694 924728892 /nfs/dbraw/zinc/72/88/92/924728892.db2.gz IWKUBQWYXJIOHF-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2ccon2)C1 ZINC001399801198 924733055 /nfs/dbraw/zinc/73/30/55/924733055.db2.gz GKSIYPRQXSCYNP-PWSUYJOCSA-N 1 1 310.354 -1.238 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399802869 924733834 /nfs/dbraw/zinc/73/38/34/924733834.db2.gz NOGGZLQBNOKLKG-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399802878 924734258 /nfs/dbraw/zinc/73/42/58/924734258.db2.gz NOGGZLQBNOKLKG-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001399807145 924735751 /nfs/dbraw/zinc/73/57/51/924735751.db2.gz UMGWDKLDAMFAGI-ZYHUDNBSSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnsn2)C1 ZINC001399805922 924735828 /nfs/dbraw/zinc/73/58/28/924735828.db2.gz VAHHZSNYBUEOBL-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@@H]1CCNC1=O ZINC001399808304 924737236 /nfs/dbraw/zinc/73/72/36/924737236.db2.gz SRZSGDZSKZUTDM-SECBINFHSA-N 1 1 320.353 -1.484 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001399813028 924737972 /nfs/dbraw/zinc/73/79/72/924737972.db2.gz QLNFFYYCOOOZNJ-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001399817530 924738229 /nfs/dbraw/zinc/73/82/29/924738229.db2.gz BIWFRWDIYOFYKZ-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001399820120 924738298 /nfs/dbraw/zinc/73/82/98/924738298.db2.gz DVUBLRBKPBHRMN-JBLDHEPKSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)CC[N@@H+]1C ZINC001399820120 924738304 /nfs/dbraw/zinc/73/83/04/924738304.db2.gz DVUBLRBKPBHRMN-JBLDHEPKSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)CC[N@H+]1C ZINC001399820120 924738311 /nfs/dbraw/zinc/73/83/11/924738311.db2.gz DVUBLRBKPBHRMN-JBLDHEPKSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001399820124 924738549 /nfs/dbraw/zinc/73/85/49/924738549.db2.gz DVUBLRBKPBHRMN-JFGNBEQYSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)CC[N@@H+]1C ZINC001399820124 924738559 /nfs/dbraw/zinc/73/85/59/924738559.db2.gz DVUBLRBKPBHRMN-JFGNBEQYSA-N 1 1 324.385 -1.258 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)CC[N@H+]1C ZINC001399820124 924738567 /nfs/dbraw/zinc/73/85/67/924738567.db2.gz DVUBLRBKPBHRMN-JFGNBEQYSA-N 1 1 324.385 -1.258 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001399821894 924738982 /nfs/dbraw/zinc/73/89/82/924738982.db2.gz FJGJEEFQONTFOI-ZYHUDNBSSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399827901 924740418 /nfs/dbraw/zinc/74/04/18/924740418.db2.gz LUBKVULKISIDDM-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cnnn1C ZINC001399823705 924740614 /nfs/dbraw/zinc/74/06/14/924740614.db2.gz HWFRTPBJKXSMRB-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001399836553 924742105 /nfs/dbraw/zinc/74/21/05/924742105.db2.gz SDEUFOUHTQOYQF-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001399836553 924742111 /nfs/dbraw/zinc/74/21/11/924742111.db2.gz SDEUFOUHTQOYQF-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001399845079 924743765 /nfs/dbraw/zinc/74/37/65/924743765.db2.gz DWSOLQJMYBFAHZ-RYUDHWBXSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn(C)nn2)C1 ZINC001399850748 924744736 /nfs/dbraw/zinc/74/47/36/924744736.db2.gz BVYKZFOEADNBOK-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001399849136 924744760 /nfs/dbraw/zinc/74/47/60/924744760.db2.gz XEQZWDZFLNGIPN-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399850796 924744943 /nfs/dbraw/zinc/74/49/43/924744943.db2.gz XMGFDBWCPWODDG-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn(C)nn2)C1 ZINC001399850753 924745485 /nfs/dbraw/zinc/74/54/85/924745485.db2.gz BVYKZFOEADNBOK-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399852071 924746062 /nfs/dbraw/zinc/74/60/62/924746062.db2.gz MPDGCHOWGQPTIG-FHUSYTEZSA-N 1 1 311.382 -1.576 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001399852068 924746249 /nfs/dbraw/zinc/74/62/49/924746249.db2.gz MOZQUPNIXGNOQP-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399852086 924746458 /nfs/dbraw/zinc/74/64/58/924746458.db2.gz MPDGCHOWGQPTIG-OBPIAQAESA-N 1 1 311.382 -1.576 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001399857910 924746549 /nfs/dbraw/zinc/74/65/49/924746549.db2.gz RZGPMQVJPZNKRH-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399852082 924746719 /nfs/dbraw/zinc/74/67/19/924746719.db2.gz MPDGCHOWGQPTIG-KVSVUVNWSA-N 1 1 311.382 -1.576 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](C)O ZINC001399861552 924748113 /nfs/dbraw/zinc/74/81/13/924748113.db2.gz CCWWKMCSASSNQJ-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001399865536 924748882 /nfs/dbraw/zinc/74/88/82/924748882.db2.gz WVBMJUCTXSDNQO-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](C)O ZINC001399864085 924748976 /nfs/dbraw/zinc/74/89/76/924748976.db2.gz MIGAKTKCHCLKRX-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001399870859 924750636 /nfs/dbraw/zinc/75/06/36/924750636.db2.gz FMNDFZXWCPLKSY-ONGXEEELSA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875922 924751575 /nfs/dbraw/zinc/75/15/75/924751575.db2.gz WPNIDJYRGOHLEF-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875922 924751583 /nfs/dbraw/zinc/75/15/83/924751583.db2.gz WPNIDJYRGOHLEF-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875915 924751608 /nfs/dbraw/zinc/75/16/08/924751608.db2.gz WPNIDJYRGOHLEF-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875915 924751614 /nfs/dbraw/zinc/75/16/14/924751614.db2.gz WPNIDJYRGOHLEF-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001399884097 924753173 /nfs/dbraw/zinc/75/31/73/924753173.db2.gz MOOYBOYCANXFGI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884097 924753185 /nfs/dbraw/zinc/75/31/85/924753185.db2.gz MOOYBOYCANXFGI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884097 924753190 /nfs/dbraw/zinc/75/31/90/924753190.db2.gz MOOYBOYCANXFGI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884097 924753198 /nfs/dbraw/zinc/75/31/98/924753198.db2.gz MOOYBOYCANXFGI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884097 924753208 /nfs/dbraw/zinc/75/32/08/924753208.db2.gz MOOYBOYCANXFGI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892812 924753742 /nfs/dbraw/zinc/75/37/42/924753742.db2.gz ILHXGWVAAMAVGE-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892812 924753747 /nfs/dbraw/zinc/75/37/47/924753747.db2.gz ILHXGWVAAMAVGE-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001399888490 924753780 /nfs/dbraw/zinc/75/37/80/924753780.db2.gz CSRMYONBKOSNMT-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001399884109 924754340 /nfs/dbraw/zinc/75/43/40/924754340.db2.gz MOOYBOYCANXFGI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884109 924754346 /nfs/dbraw/zinc/75/43/46/924754346.db2.gz MOOYBOYCANXFGI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884109 924754356 /nfs/dbraw/zinc/75/43/56/924754356.db2.gz MOOYBOYCANXFGI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884109 924754362 /nfs/dbraw/zinc/75/43/62/924754362.db2.gz MOOYBOYCANXFGI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884109 924754372 /nfs/dbraw/zinc/75/43/72/924754372.db2.gz MOOYBOYCANXFGI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001399884106 924754389 /nfs/dbraw/zinc/75/43/89/924754389.db2.gz MOOYBOYCANXFGI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884106 924754395 /nfs/dbraw/zinc/75/43/95/924754395.db2.gz MOOYBOYCANXFGI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884106 924754404 /nfs/dbraw/zinc/75/44/04/924754404.db2.gz MOOYBOYCANXFGI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884106 924754411 /nfs/dbraw/zinc/75/44/11/924754411.db2.gz MOOYBOYCANXFGI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884106 924754416 /nfs/dbraw/zinc/75/44/16/924754416.db2.gz MOOYBOYCANXFGI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001399890604 924754475 /nfs/dbraw/zinc/75/44/75/924754475.db2.gz HFKYOBLGSOEXOJ-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001399902429 924755131 /nfs/dbraw/zinc/75/51/31/924755131.db2.gz URGSLILRGMZPCZ-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001399905865 924755191 /nfs/dbraw/zinc/75/51/91/924755191.db2.gz SIUXCZDTPIIAPZ-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001399902594 924755267 /nfs/dbraw/zinc/75/52/67/924755267.db2.gz UUSRGJOVUXDBTH-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001399900501 924755339 /nfs/dbraw/zinc/75/53/39/924755339.db2.gz QOMWPRZMHJHCBO-NSHDSACASA-N 1 1 322.373 -1.864 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001399897297 924755503 /nfs/dbraw/zinc/75/55/03/924755503.db2.gz MWOWOHVYTXESLV-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001399899285 924755704 /nfs/dbraw/zinc/75/57/04/924755704.db2.gz OENUAHZLAUIKEN-NSHDSACASA-N 1 1 322.369 -1.175 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001399902217 924755741 /nfs/dbraw/zinc/75/57/41/924755741.db2.gz YKFYHRBNUOSYEC-CHWSQXEVSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001399899282 924755952 /nfs/dbraw/zinc/75/59/52/924755952.db2.gz OENUAHZLAUIKEN-LLVKDONJSA-N 1 1 322.369 -1.175 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001399902224 924756437 /nfs/dbraw/zinc/75/64/37/924756437.db2.gz YKFYHRBNUOSYEC-QWHCGFSZSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001399897292 924756613 /nfs/dbraw/zinc/75/66/13/924756613.db2.gz MWOWOHVYTXESLV-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399906285 924756727 /nfs/dbraw/zinc/75/67/27/924756727.db2.gz ZFFBDSPMPXQQOC-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001399905871 924756753 /nfs/dbraw/zinc/75/67/53/924756753.db2.gz SIUXCZDTPIIAPZ-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399929506 924760448 /nfs/dbraw/zinc/76/04/48/924760448.db2.gz WYNBDFGSPMIBCR-MXWKQRLJSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399929506 924760455 /nfs/dbraw/zinc/76/04/55/924760455.db2.gz WYNBDFGSPMIBCR-MXWKQRLJSA-N 1 1 312.370 -1.784 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399968329 924761707 /nfs/dbraw/zinc/76/17/07/924761707.db2.gz DDONRCOWABDIDL-NSHDSACASA-N 1 1 309.374 -1.175 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399968329 924761714 /nfs/dbraw/zinc/76/17/14/924761714.db2.gz DDONRCOWABDIDL-NSHDSACASA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001399954710 924761722 /nfs/dbraw/zinc/76/17/22/924761722.db2.gz HPZNXCBXNBTALM-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001399954710 924761730 /nfs/dbraw/zinc/76/17/30/924761730.db2.gz HPZNXCBXNBTALM-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001399978436 924762033 /nfs/dbraw/zinc/76/20/33/924762033.db2.gz VXBREBLXDCWCSR-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001399978436 924762038 /nfs/dbraw/zinc/76/20/38/924762038.db2.gz VXBREBLXDCWCSR-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO CCN1CC[C@@H]([N@H+](CCNC(=O)Cn2ncnn2)C2CC2)C1=O ZINC001400001825 924762961 /nfs/dbraw/zinc/76/29/61/924762961.db2.gz BFEMZGYCHZITBG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CCNC(=O)Cn2ncnn2)C2CC2)C1=O ZINC001400001825 924762971 /nfs/dbraw/zinc/76/29/71/924762971.db2.gz BFEMZGYCHZITBG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnnc1CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001399986535 924763309 /nfs/dbraw/zinc/76/33/09/924763309.db2.gz CTJUAVCNEHTJKY-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001399986535 924763316 /nfs/dbraw/zinc/76/33/16/924763316.db2.gz CTJUAVCNEHTJKY-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)CN1CCCNC1=O)C1CC1 ZINC001399996229 924763640 /nfs/dbraw/zinc/76/36/40/924763640.db2.gz AXNJYPYHJKYFRC-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCCNC1=O)C1CC1 ZINC001399996229 924763647 /nfs/dbraw/zinc/76/36/47/924763647.db2.gz AXNJYPYHJKYFRC-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399983468 924764013 /nfs/dbraw/zinc/76/40/13/924764013.db2.gz CAQKWCZYIIKPMK-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)c1=O ZINC001400012344 924766215 /nfs/dbraw/zinc/76/62/15/924766215.db2.gz FJILXTPSNFINRS-NSHDSACASA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)c1=O ZINC001400012344 924766219 /nfs/dbraw/zinc/76/62/19/924766219.db2.gz FJILXTPSNFINRS-NSHDSACASA-N 1 1 322.369 -1.949 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001400051915 924766897 /nfs/dbraw/zinc/76/68/97/924766897.db2.gz KJXBLFDCQPXZFR-JTQLQIEISA-N 1 1 323.401 -1.346 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001400101316 924770622 /nfs/dbraw/zinc/77/06/22/924770622.db2.gz NUXUPQWCPXGYOR-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO NC(=O)C[NH2+][C@H](CNC(=O)CCn1cnnn1)c1ccccc1 ZINC001400104900 924772280 /nfs/dbraw/zinc/77/22/80/924772280.db2.gz RQAAXLRLUJDUGB-GFCCVEGCSA-N 1 1 317.353 -1.004 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)n1 ZINC001400149530 924773156 /nfs/dbraw/zinc/77/31/56/924773156.db2.gz BEXZIMBZXZMMSX-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)n1 ZINC001400149530 924773165 /nfs/dbraw/zinc/77/31/65/924773165.db2.gz BEXZIMBZXZMMSX-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001400154159 924773889 /nfs/dbraw/zinc/77/38/89/924773889.db2.gz VRZYNFFINHXHTD-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001400154264 924774604 /nfs/dbraw/zinc/77/46/04/924774604.db2.gz VRZYNFFINHXHTD-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400147088 924774622 /nfs/dbraw/zinc/77/46/22/924774622.db2.gz NCOZGUKMVRIEKK-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001400175254 924775994 /nfs/dbraw/zinc/77/59/94/924775994.db2.gz SWSNWSIFOITNBX-JTQLQIEISA-N 1 1 308.404 -2.139 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400179846 924776177 /nfs/dbraw/zinc/77/61/77/924776177.db2.gz WHAWAJHGJOTGSR-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NCC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001400176292 924776221 /nfs/dbraw/zinc/77/62/21/924776221.db2.gz PMDRJFAGGNVOCZ-NWDGAFQWSA-N 1 1 321.385 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CS(=O)(=O)NC)C1 ZINC001400194687 924777011 /nfs/dbraw/zinc/77/70/11/924777011.db2.gz GSXJWWPYTJHKPV-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001400222708 924778618 /nfs/dbraw/zinc/77/86/18/924778618.db2.gz LQEUSMAHIXRPMV-VHSXEESVSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001400222708 924778627 /nfs/dbraw/zinc/77/86/27/924778627.db2.gz LQEUSMAHIXRPMV-VHSXEESVSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212716 924778692 /nfs/dbraw/zinc/77/86/92/924778692.db2.gz FTGRXPYMAVLTNM-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212787 924778878 /nfs/dbraw/zinc/77/88/78/924778878.db2.gz FXSZQJKOPQOOKH-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001400224876 924779575 /nfs/dbraw/zinc/77/95/75/924779575.db2.gz CDHVLZCPRUXGLE-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212698 924779667 /nfs/dbraw/zinc/77/96/67/924779667.db2.gz FTGRXPYMAVLTNM-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)COC)C1 ZINC001400221193 924779797 /nfs/dbraw/zinc/77/97/97/924779797.db2.gz QANISLRKUUBPAU-VXGBXAGGSA-N 1 1 316.402 -1.297 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001400226592 924779827 /nfs/dbraw/zinc/77/98/27/924779827.db2.gz CAZSLZAYZFVRIW-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001400212822 924780105 /nfs/dbraw/zinc/78/01/05/924780105.db2.gz FYNJPKDEICEWDS-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001400226598 924780132 /nfs/dbraw/zinc/78/01/32/924780132.db2.gz CAZSLZAYZFVRIW-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400252453 924780811 /nfs/dbraw/zinc/78/08/11/924780811.db2.gz JRCZBVYDCYAVQQ-OUAUKWLOSA-N 1 1 312.370 -1.715 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](C)O)C1 ZINC001400245277 924781662 /nfs/dbraw/zinc/78/16/62/924781662.db2.gz GQHFFZUKGWFCBM-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001400235891 924782017 /nfs/dbraw/zinc/78/20/17/924782017.db2.gz WLAUVOIGZBQIAI-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001400270739 924782882 /nfs/dbraw/zinc/78/28/82/924782882.db2.gz QRWZRBCRSUQBNM-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC001400257191 924783159 /nfs/dbraw/zinc/78/31/59/924783159.db2.gz UBUQBVKWLWKPIL-LLVKDONJSA-N 1 1 324.381 -1.530 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001400280298 924784418 /nfs/dbraw/zinc/78/44/18/924784418.db2.gz DAFXERZHMBGBTL-ONGXEEELSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001400280298 924784423 /nfs/dbraw/zinc/78/44/23/924784423.db2.gz DAFXERZHMBGBTL-ONGXEEELSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001400275751 924785361 /nfs/dbraw/zinc/78/53/61/924785361.db2.gz CXNKDVXUHSCPFM-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001400275246 924785597 /nfs/dbraw/zinc/78/55/97/924785597.db2.gz SEMGFHFCQKEFSJ-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001400275246 924785601 /nfs/dbraw/zinc/78/56/01/924785601.db2.gz SEMGFHFCQKEFSJ-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 ZINC001400418895 924797347 /nfs/dbraw/zinc/79/73/47/924797347.db2.gz GKKGOKNZWQUEII-GHMZBOCLSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001400420482 924797386 /nfs/dbraw/zinc/79/73/86/924797386.db2.gz MMWYXFHQUUUNBG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C1(NC(N)=O)CC1 ZINC001400418914 924797434 /nfs/dbraw/zinc/79/74/34/924797434.db2.gz GKKGOKNZWQUEII-WDEREUQCSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001400443833 924800451 /nfs/dbraw/zinc/80/04/51/924800451.db2.gz MAPCJPALJRBQMR-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001400470029 924802332 /nfs/dbraw/zinc/80/23/32/924802332.db2.gz QDUIWWCLZMRXLV-UHFFFAOYSA-N 1 1 311.386 -1.416 20 0 DAADMO CCN(C)C(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400469437 924802847 /nfs/dbraw/zinc/80/28/47/924802847.db2.gz OTDSGMIILOFTEL-CYBMUJFWSA-N 1 1 312.414 -1.157 20 0 DAADMO CCN(C)C(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400469437 924802855 /nfs/dbraw/zinc/80/28/55/924802855.db2.gz OTDSGMIILOFTEL-CYBMUJFWSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001400523973 924809203 /nfs/dbraw/zinc/80/92/03/924809203.db2.gz JTIRFNKBPUOLHK-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001400525685 924809456 /nfs/dbraw/zinc/80/94/56/924809456.db2.gz NAHLXRGBCSCROE-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO Cn1cnc(C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001400553782 924810428 /nfs/dbraw/zinc/81/04/28/924810428.db2.gz QELPNLQBVNXQJI-SNVBAGLBSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001400553782 924810437 /nfs/dbraw/zinc/81/04/37/924810437.db2.gz QELPNLQBVNXQJI-SNVBAGLBSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1c(=O)cc(C[NH+]2CC(CNC(=O)C(F)F)C2)n(C)c1=O ZINC001400556684 924810617 /nfs/dbraw/zinc/81/06/17/924810617.db2.gz LFEHBRUDLUIRRQ-UHFFFAOYSA-N 1 1 316.308 -1.103 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001400560877 924812051 /nfs/dbraw/zinc/81/20/51/924812051.db2.gz GCHZAVQRWNBUAB-SECBINFHSA-N 1 1 324.385 -1.927 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001400569612 924812969 /nfs/dbraw/zinc/81/29/69/924812969.db2.gz JTTTWFBXPTYBQT-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001400576218 924813634 /nfs/dbraw/zinc/81/36/34/924813634.db2.gz KEXYXIDXOLHLOS-UWVGGRQHSA-N 1 1 306.388 -2.292 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001400580298 924814222 /nfs/dbraw/zinc/81/42/22/924814222.db2.gz WBDAMOLKPNIYDO-GARJFASQSA-N 1 1 307.354 -1.035 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001400580298 924814233 /nfs/dbraw/zinc/81/42/33/924814233.db2.gz WBDAMOLKPNIYDO-GARJFASQSA-N 1 1 307.354 -1.035 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001400577376 924814540 /nfs/dbraw/zinc/81/45/40/924814540.db2.gz MTKMTERJBJZPQL-JTQLQIEISA-N 1 1 306.370 -1.007 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001400571794 924814588 /nfs/dbraw/zinc/81/45/88/924814588.db2.gz UALSBTIYAVTPKR-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001400582298 924814776 /nfs/dbraw/zinc/81/47/76/924814776.db2.gz POKUBLPIGPAUAE-UWVGGRQHSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001400583836 924816725 /nfs/dbraw/zinc/81/67/25/924816725.db2.gz BVIHYRSSLNJVIM-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400621086 924817672 /nfs/dbraw/zinc/81/76/72/924817672.db2.gz OXSSSIXHEZILTD-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400621086 924817681 /nfs/dbraw/zinc/81/76/81/924817681.db2.gz OXSSSIXHEZILTD-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001400621794 924817766 /nfs/dbraw/zinc/81/77/66/924817766.db2.gz BXDQQUFQLMWEBQ-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001400621794 924817775 /nfs/dbraw/zinc/81/77/75/924817775.db2.gz BXDQQUFQLMWEBQ-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001400630663 924818285 /nfs/dbraw/zinc/81/82/85/924818285.db2.gz PKTDRQSHZSEACL-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001400630663 924818293 /nfs/dbraw/zinc/81/82/93/924818293.db2.gz PKTDRQSHZSEACL-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623511 924818354 /nfs/dbraw/zinc/81/83/54/924818354.db2.gz NJGYEDYXKDJHDA-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623511 924818360 /nfs/dbraw/zinc/81/83/60/924818360.db2.gz NJGYEDYXKDJHDA-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001400632317 924818815 /nfs/dbraw/zinc/81/88/15/924818815.db2.gz WPEBIXMXHWJOQX-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001400632317 924818823 /nfs/dbraw/zinc/81/88/23/924818823.db2.gz WPEBIXMXHWJOQX-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001400611380 924819190 /nfs/dbraw/zinc/81/91/90/924819190.db2.gz JOLFEENBEFAZMB-JTQLQIEISA-N 1 1 310.395 -1.115 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001400611380 924819196 /nfs/dbraw/zinc/81/91/96/924819196.db2.gz JOLFEENBEFAZMB-JTQLQIEISA-N 1 1 310.395 -1.115 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400660868 924821906 /nfs/dbraw/zinc/82/19/06/924821906.db2.gz NQBKSGLLRUIUGA-BDAKNGLRSA-N 1 1 319.387 -2.881 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400660868 924821912 /nfs/dbraw/zinc/82/19/12/924821912.db2.gz NQBKSGLLRUIUGA-BDAKNGLRSA-N 1 1 319.387 -2.881 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400657901 924822418 /nfs/dbraw/zinc/82/24/18/924822418.db2.gz ZJWCYHWMUOTZBC-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400657901 924822422 /nfs/dbraw/zinc/82/24/22/924822422.db2.gz ZJWCYHWMUOTZBC-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400661413 924822531 /nfs/dbraw/zinc/82/25/31/924822531.db2.gz CZJRQASIAWKFDX-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001400670550 924823625 /nfs/dbraw/zinc/82/36/25/924823625.db2.gz KRLBFPUVIFQIPT-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001400671312 924825014 /nfs/dbraw/zinc/82/50/14/924825014.db2.gz RMTDFILIZLSWIA-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001400746822 924827994 /nfs/dbraw/zinc/82/79/94/924827994.db2.gz VQRFQBXIFDSJFC-GHMZBOCLSA-N 1 1 312.374 -1.246 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001400733610 924828826 /nfs/dbraw/zinc/82/88/26/924828826.db2.gz GBVMFXUIGVLKIV-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001400731030 924828944 /nfs/dbraw/zinc/82/89/44/924828944.db2.gz TVBQLRRBICFEJM-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001400731030 924828951 /nfs/dbraw/zinc/82/89/51/924828951.db2.gz TVBQLRRBICFEJM-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001400739693 924828986 /nfs/dbraw/zinc/82/89/86/924828986.db2.gz OOMWSQIZFMHDQN-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001400756107 924830222 /nfs/dbraw/zinc/83/02/22/924830222.db2.gz ZMPSXJKDGSWFIH-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)Cn2ncnn2)C1 ZINC001400759859 924830380 /nfs/dbraw/zinc/83/03/80/924830380.db2.gz NZPVVQKYPRUWFY-UHFFFAOYSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400752260 924830429 /nfs/dbraw/zinc/83/04/29/924830429.db2.gz AJBRHVPGYPQWHB-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400782116 924831444 /nfs/dbraw/zinc/83/14/44/924831444.db2.gz YRPPCRLWUQTUBE-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400782116 924831452 /nfs/dbraw/zinc/83/14/52/924831452.db2.gz YRPPCRLWUQTUBE-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC[C@@H](CNC(=O)CCn1cncn1)[NH2+]Cc1nnnn1C ZINC001400797611 924832424 /nfs/dbraw/zinc/83/24/24/924832424.db2.gz MMOUWUPQACACLM-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CN(C(=O)CCn1cnnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400779510 924832519 /nfs/dbraw/zinc/83/25/19/924832519.db2.gz QELSWHFANXDMPB-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[C@H](CNC(=O)CNC(=O)NC)[NH2+][C@@H](C)c1nnnn1C ZINC001400806547 924832877 /nfs/dbraw/zinc/83/28/77/924832877.db2.gz UJPGMPXZNXTMSG-DTWKUNHWSA-N 1 1 312.378 -1.316 20 0 DAADMO CC[C@H](CNC(=O)CCn1cncn1)[NH2+]Cc1nnnn1C ZINC001400797616 924832897 /nfs/dbraw/zinc/83/28/97/924832897.db2.gz MMOUWUPQACACLM-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CC[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nnnn1C ZINC001400811228 924833509 /nfs/dbraw/zinc/83/35/09/924833509.db2.gz YPYLQIPASOWISR-SECBINFHSA-N 1 1 316.387 -1.761 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001400912323 924836256 /nfs/dbraw/zinc/83/62/56/924836256.db2.gz DCQKTIHROIKRIW-WPRPVWTQSA-N 1 1 317.371 -1.254 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001400912318 924836782 /nfs/dbraw/zinc/83/67/82/924836782.db2.gz DCQKTIHROIKRIW-SCZZXKLOSA-N 1 1 317.371 -1.254 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@](C)(C[NH2+]Cc1nnnn1C)C1CC1 ZINC001400974079 924838353 /nfs/dbraw/zinc/83/83/53/924838353.db2.gz HQISVMHIGAAPKA-ISVAXAHUSA-N 1 1 324.389 -1.359 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O)c1nnnn1C ZINC001401095783 924842919 /nfs/dbraw/zinc/84/29/19/924842919.db2.gz FCUSBHWFLSSGGY-VHSXEESVSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001401145853 924844470 /nfs/dbraw/zinc/84/44/70/924844470.db2.gz RRCKLNBWQHHRTL-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001401145853 924844475 /nfs/dbraw/zinc/84/44/75/924844475.db2.gz RRCKLNBWQHHRTL-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO COC[C@H](O)CN1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001401165746 924846818 /nfs/dbraw/zinc/84/68/18/924846818.db2.gz POMSNACSRAJPKV-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162142 924846885 /nfs/dbraw/zinc/84/68/85/924846885.db2.gz MBZDTOGLGHLVJE-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162142 924846890 /nfs/dbraw/zinc/84/68/90/924846890.db2.gz MBZDTOGLGHLVJE-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162149 924847636 /nfs/dbraw/zinc/84/76/36/924847636.db2.gz MBZDTOGLGHLVJE-QWRGUYRKSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162149 924847643 /nfs/dbraw/zinc/84/76/43/924847643.db2.gz MBZDTOGLGHLVJE-QWRGUYRKSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162145 924848154 /nfs/dbraw/zinc/84/81/54/924848154.db2.gz MBZDTOGLGHLVJE-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162145 924848166 /nfs/dbraw/zinc/84/81/66/924848166.db2.gz MBZDTOGLGHLVJE-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170247 924848294 /nfs/dbraw/zinc/84/82/94/924848294.db2.gz KTGXQQINZDPKJT-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170247 924848300 /nfs/dbraw/zinc/84/83/00/924848300.db2.gz KTGXQQINZDPKJT-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170464 924848948 /nfs/dbraw/zinc/84/89/48/924848948.db2.gz GRPARILZPRNGRH-AAEUAGOBSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170464 924848956 /nfs/dbraw/zinc/84/89/56/924848956.db2.gz GRPARILZPRNGRH-AAEUAGOBSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170465 924849158 /nfs/dbraw/zinc/84/91/58/924849158.db2.gz GRPARILZPRNGRH-DGCLKSJQSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170465 924849163 /nfs/dbraw/zinc/84/91/63/924849163.db2.gz GRPARILZPRNGRH-DGCLKSJQSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170251 924849249 /nfs/dbraw/zinc/84/92/49/924849249.db2.gz KTGXQQINZDPKJT-QWRGUYRKSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170251 924849255 /nfs/dbraw/zinc/84/92/55/924849255.db2.gz KTGXQQINZDPKJT-QWRGUYRKSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401199931 924849269 /nfs/dbraw/zinc/84/92/69/924849269.db2.gz HKRYXVUWMMAHNX-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401199931 924849276 /nfs/dbraw/zinc/84/92/76/924849276.db2.gz HKRYXVUWMMAHNX-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001401236902 924851152 /nfs/dbraw/zinc/85/11/52/924851152.db2.gz HDELXAQFNGMJFA-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401242249 924853523 /nfs/dbraw/zinc/85/35/23/924853523.db2.gz CPHOJAVEYPJGAU-ZMLRMANQSA-N 1 1 324.385 -1.216 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)CCn1cnnn1 ZINC001401417620 924857521 /nfs/dbraw/zinc/85/75/21/924857521.db2.gz SKKNMXZGZIBREJ-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)CCn1cnnn1 ZINC001401417620 924857528 /nfs/dbraw/zinc/85/75/28/924857528.db2.gz SKKNMXZGZIBREJ-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001401356763 924858004 /nfs/dbraw/zinc/85/80/04/924858004.db2.gz DWSRHZXNJKYJGO-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001401356763 924858012 /nfs/dbraw/zinc/85/80/12/924858012.db2.gz DWSRHZXNJKYJGO-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001401364413 924858120 /nfs/dbraw/zinc/85/81/20/924858120.db2.gz VYWJDFMSCKJEAX-GFCCVEGCSA-N 1 1 321.443 -1.248 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001401364413 924858127 /nfs/dbraw/zinc/85/81/27/924858127.db2.gz VYWJDFMSCKJEAX-GFCCVEGCSA-N 1 1 321.443 -1.248 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001401367284 924858177 /nfs/dbraw/zinc/85/81/77/924858177.db2.gz KDULOQQMEFPARH-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001401367284 924858180 /nfs/dbraw/zinc/85/81/80/924858180.db2.gz KDULOQQMEFPARH-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001401361409 924858477 /nfs/dbraw/zinc/85/84/77/924858477.db2.gz JAWUUTAIQQJFCI-UHFFFAOYSA-N 1 1 313.358 -1.950 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001401361409 924858487 /nfs/dbraw/zinc/85/84/87/924858487.db2.gz JAWUUTAIQQJFCI-UHFFFAOYSA-N 1 1 313.358 -1.950 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001401389723 924858813 /nfs/dbraw/zinc/85/88/13/924858813.db2.gz NGGKINBWEFNPFX-SSDOTTSWSA-N 1 1 312.334 -2.203 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001401389723 924858825 /nfs/dbraw/zinc/85/88/25/924858825.db2.gz NGGKINBWEFNPFX-SSDOTTSWSA-N 1 1 312.334 -2.203 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401384815 924859317 /nfs/dbraw/zinc/85/93/17/924859317.db2.gz OMOCEXXBZFEJOB-OUAUKWLOSA-N 1 1 314.386 -1.327 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401384815 924859329 /nfs/dbraw/zinc/85/93/29/924859329.db2.gz OMOCEXXBZFEJOB-OUAUKWLOSA-N 1 1 314.386 -1.327 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401439228 924859759 /nfs/dbraw/zinc/85/97/59/924859759.db2.gz OJQLEIHSVRLSHF-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401439228 924859762 /nfs/dbraw/zinc/85/97/62/924859762.db2.gz OJQLEIHSVRLSHF-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n(C)n1 ZINC001401482243 924860392 /nfs/dbraw/zinc/86/03/92/924860392.db2.gz CSCUKVNITQWONU-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)c(=O)n1C ZINC001401440143 924860791 /nfs/dbraw/zinc/86/07/91/924860791.db2.gz PMVOTCHRXHMJFU-UHFFFAOYSA-N 1 1 323.397 -1.040 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)c(=O)n1C ZINC001401440143 924860800 /nfs/dbraw/zinc/86/08/00/924860800.db2.gz PMVOTCHRXHMJFU-UHFFFAOYSA-N 1 1 323.397 -1.040 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n(C)n1 ZINC001401482238 924860820 /nfs/dbraw/zinc/86/08/20/924860820.db2.gz CSCUKVNITQWONU-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001401485710 924862595 /nfs/dbraw/zinc/86/25/95/924862595.db2.gz LQQMVYCKJCEOGC-LBPRGKRZSA-N 1 1 324.385 -1.513 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC001401489033 924863352 /nfs/dbraw/zinc/86/33/52/924863352.db2.gz RROCXQUBUGNASN-GFCCVEGCSA-N 1 1 312.374 -1.438 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ccon1 ZINC001401486426 924863535 /nfs/dbraw/zinc/86/35/35/924863535.db2.gz GSOOAJAFWNWSHJ-SECBINFHSA-N 1 1 322.325 -1.323 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccon1 ZINC001401491878 924864629 /nfs/dbraw/zinc/86/46/29/924864629.db2.gz LXUQDMPLFJXEPV-VIFPVBQESA-N 1 1 309.330 -1.048 20 0 DAADMO CCn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001401497966 924866284 /nfs/dbraw/zinc/86/62/84/924866284.db2.gz NBYUHASXQYRFRL-CHWSQXEVSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001401497976 924866751 /nfs/dbraw/zinc/86/67/51/924866751.db2.gz NBYUHASXQYRFRL-STQMWFEESA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)cnn1C ZINC001401505296 924870469 /nfs/dbraw/zinc/87/04/69/924870469.db2.gz HUOOIHCZXWMMTM-PSASIEDQSA-N 1 1 322.373 -1.306 20 0 DAADMO O=C(Cn1cccn1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401505546 924870718 /nfs/dbraw/zinc/87/07/18/924870718.db2.gz HYZVVQWXTNPGJX-LLVKDONJSA-N 1 1 320.357 -1.529 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)n1 ZINC001401505699 924871148 /nfs/dbraw/zinc/87/11/48/924871148.db2.gz KEPMZGQWBWOGHM-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)cnn1C ZINC001401505387 924871494 /nfs/dbraw/zinc/87/14/94/924871494.db2.gz HUOOIHCZXWMMTM-WPRPVWTQSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)cnn1C ZINC001401505372 924871707 /nfs/dbraw/zinc/87/17/07/924871707.db2.gz HUOOIHCZXWMMTM-WCBMZHEXSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001401505858 924871837 /nfs/dbraw/zinc/87/18/37/924871837.db2.gz KMUSABRVNAGXMQ-SECBINFHSA-N 1 1 317.371 -2.276 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001401513525 924873284 /nfs/dbraw/zinc/87/32/84/924873284.db2.gz MOGARNHDDVWSLT-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001401514091 924873456 /nfs/dbraw/zinc/87/34/56/924873456.db2.gz NPSVTMWLUKUPHZ-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001401513623 924874090 /nfs/dbraw/zinc/87/40/90/924874090.db2.gz ZJWVARMEKGGMRB-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401511762 924874121 /nfs/dbraw/zinc/87/41/21/924874121.db2.gz RCXCPTXVSFVBCJ-ZETCQYMHSA-N 1 1 309.355 -1.209 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnns1)C1CS(=O)(=O)C1 ZINC001401517944 924875381 /nfs/dbraw/zinc/87/53/81/924875381.db2.gz UVNHSAWAGRBJBH-MRVPVSSYSA-N 1 1 320.396 -1.851 20 0 DAADMO Cn1nnnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401536059 924877760 /nfs/dbraw/zinc/87/77/60/924877760.db2.gz IJNVBEORPBARNM-QWRGUYRKSA-N 1 1 311.390 -1.739 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001401542682 924879432 /nfs/dbraw/zinc/87/94/32/924879432.db2.gz OULXNXYSACXBAQ-VIFPVBQESA-N 1 1 301.372 -1.361 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)n1C ZINC001401542521 924880212 /nfs/dbraw/zinc/88/02/12/924880212.db2.gz IAMDFLJGQZZXKY-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001401542793 924880300 /nfs/dbraw/zinc/88/03/00/924880300.db2.gz OZUHATDGSLHXPX-SNVBAGLBSA-N 1 1 310.358 -1.719 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001401545616 924883056 /nfs/dbraw/zinc/88/30/56/924883056.db2.gz SFCQNSAZXUSARC-LLVKDONJSA-N 1 1 321.385 -1.090 20 0 DAADMO COc1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)c(C)n1 ZINC001401551021 924883566 /nfs/dbraw/zinc/88/35/66/924883566.db2.gz DAMIYTDUTGFHRM-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)S(C)(=O)=O ZINC001401549612 924884728 /nfs/dbraw/zinc/88/47/28/924884728.db2.gz YIPGCJBARZDACP-VIFPVBQESA-N 1 1 321.359 -2.472 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001401552770 924886347 /nfs/dbraw/zinc/88/63/47/924886347.db2.gz CXOHZVIYTJYKGS-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001401552019 924886752 /nfs/dbraw/zinc/88/67/52/924886752.db2.gz WBUHCTFENURIHQ-IUCAKERBSA-N 1 1 302.331 -2.187 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC001401556590 924887577 /nfs/dbraw/zinc/88/75/77/924887577.db2.gz CLKCFMRVFHUACK-VIFPVBQESA-N 1 1 320.357 -1.309 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001401554749 924887614 /nfs/dbraw/zinc/88/76/14/924887614.db2.gz TYYNYVPREDWRRN-ZTHPDXAWSA-N 1 1 322.369 -1.800 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCNC(=O)CC1 ZINC001401555582 924889285 /nfs/dbraw/zinc/88/92/85/924889285.db2.gz YAKWEVMOSMNSHA-VXGBXAGGSA-N 1 1 321.381 -1.040 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2nnnn2C)C1 ZINC001401555588 924889394 /nfs/dbraw/zinc/88/93/94/924889394.db2.gz LSZIZESTPQCBIY-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401560918 924890389 /nfs/dbraw/zinc/89/03/89/924890389.db2.gz UXSZRIXBLIMSIQ-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001401560973 924890634 /nfs/dbraw/zinc/89/06/34/924890634.db2.gz UYKUSIGAMAZTOW-GXSJLCMTSA-N 1 1 311.342 -1.447 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001401560894 924890678 /nfs/dbraw/zinc/89/06/78/924890678.db2.gz FEZAONSNRRGLJM-JTQLQIEISA-N 1 1 318.337 -1.251 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)cn1 ZINC001401559142 924890710 /nfs/dbraw/zinc/89/07/10/924890710.db2.gz DUVZPYWJSWYFEW-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnoc1)c1nnnn1C ZINC001401563284 924891943 /nfs/dbraw/zinc/89/19/43/924891943.db2.gz XROZFPSOWAKEIF-WPRPVWTQSA-N 1 1 309.330 -1.432 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001401564779 924891996 /nfs/dbraw/zinc/89/19/96/924891996.db2.gz WWRZFNGTFNIZBG-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001401564779 924892001 /nfs/dbraw/zinc/89/20/01/924892001.db2.gz WWRZFNGTFNIZBG-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)cc1=O ZINC001401563998 924893436 /nfs/dbraw/zinc/89/34/36/924893436.db2.gz DSAIHHNLONLSAQ-CYBMUJFWSA-N 1 1 319.365 -1.082 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)c[nH]1 ZINC001401564635 924893618 /nfs/dbraw/zinc/89/36/18/924893618.db2.gz LRGMRCABUMRMRP-SNVBAGLBSA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001401567884 924894129 /nfs/dbraw/zinc/89/41/29/924894129.db2.gz YTXLTUVPOQKGAW-GFCCVEGCSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001401567829 924894395 /nfs/dbraw/zinc/89/43/95/924894395.db2.gz NXEMATLWERLUHQ-GHMZBOCLSA-N 1 1 312.374 -1.407 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001401566062 924894460 /nfs/dbraw/zinc/89/44/60/924894460.db2.gz AJGHBNAZFXOEIL-NXEZZACHSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001401566062 924894465 /nfs/dbraw/zinc/89/44/65/924894465.db2.gz AJGHBNAZFXOEIL-NXEZZACHSA-N 1 1 312.374 -1.258 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401568193 924894679 /nfs/dbraw/zinc/89/46/79/924894679.db2.gz YZNLUHNMVPTKGA-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001401568958 924894914 /nfs/dbraw/zinc/89/49/14/924894914.db2.gz YNNHJWCZUSQBDU-UWVGGRQHSA-N 1 1 311.346 -2.595 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)NCC(F)(F)F ZINC001401569297 924895150 /nfs/dbraw/zinc/89/51/50/924895150.db2.gz RRJVXYUJEMOALH-ZCFIWIBFSA-N 1 1 324.263 -1.837 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401566191 924895413 /nfs/dbraw/zinc/89/54/13/924895413.db2.gz ZHVAXGYVAHFLOR-AEJSXWLSSA-N 1 1 310.358 -2.014 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1nonc1C ZINC001401572411 924896290 /nfs/dbraw/zinc/89/62/90/924896290.db2.gz MPLKBXHVSRRMGO-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001401577699 924899150 /nfs/dbraw/zinc/89/91/50/924899150.db2.gz KHDSBTCASSZLSE-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001401577699 924899160 /nfs/dbraw/zinc/89/91/60/924899160.db2.gz KHDSBTCASSZLSE-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001401577767 924899303 /nfs/dbraw/zinc/89/93/03/924899303.db2.gz KHDSBTCASSZLSE-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001401577767 924899310 /nfs/dbraw/zinc/89/93/10/924899310.db2.gz KHDSBTCASSZLSE-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001401584303 924901322 /nfs/dbraw/zinc/90/13/22/924901322.db2.gz AXWCUXZJEYXOHI-UHFFFAOYSA-N 1 1 316.387 -1.761 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001401584820 924902928 /nfs/dbraw/zinc/90/29/28/924902928.db2.gz OEVDZNIPTAXFJJ-JTQLQIEISA-N 1 1 324.385 -2.229 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001401586539 924903546 /nfs/dbraw/zinc/90/35/46/924903546.db2.gz USEJVXFEQHJWMS-MRVPVSSYSA-N 1 1 301.372 -1.232 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001401624159 924908295 /nfs/dbraw/zinc/90/82/95/924908295.db2.gz HNPNTGQTKBSIOS-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001401632091 924908522 /nfs/dbraw/zinc/90/85/22/924908522.db2.gz UUJVEWXWRFUYJT-LLVKDONJSA-N 1 1 319.369 -1.025 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CCn2cnnn2)nn1 ZINC001401650417 924909458 /nfs/dbraw/zinc/90/94/58/924909458.db2.gz YILJQEBNLCXLRK-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO Cc1conc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001401640890 924909707 /nfs/dbraw/zinc/90/97/07/924909707.db2.gz VFCDBEPWLIUDTE-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN(C)S(C)(=O)=O ZINC001401681787 924912810 /nfs/dbraw/zinc/91/28/10/924912810.db2.gz MBCLMRHWSZAWEH-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001401693201 924914663 /nfs/dbraw/zinc/91/46/63/924914663.db2.gz MQJAYNXHIDTOLJ-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC(=O)N1C ZINC001401699083 924915268 /nfs/dbraw/zinc/91/52/68/924915268.db2.gz SRWCXSVLNXPPMV-LPEHRKFASA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001401695820 924915283 /nfs/dbraw/zinc/91/52/83/924915283.db2.gz VNHHNQIKLKDZIG-TVQRCGJNSA-N 1 1 309.374 -1.279 20 0 DAADMO COc1nccc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)n1 ZINC001401694088 924915444 /nfs/dbraw/zinc/91/54/44/924915444.db2.gz FZXDDFPXPSEJRJ-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cccn(C)c1=O ZINC001401712013 924916377 /nfs/dbraw/zinc/91/63/77/924916377.db2.gz HUIDHCYQBXWYBB-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001401723789 924916624 /nfs/dbraw/zinc/91/66/24/924916624.db2.gz NVGGIQPERMQJHE-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401712645 924917154 /nfs/dbraw/zinc/91/71/54/924917154.db2.gz QICVVJZXMMIBLO-RKDXNWHRSA-N 1 1 316.387 -1.899 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001401752943 924919057 /nfs/dbraw/zinc/91/90/57/924919057.db2.gz PJGYVPROGUIBRN-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001401752943 924919069 /nfs/dbraw/zinc/91/90/69/924919069.db2.gz PJGYVPROGUIBRN-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(=O)NC ZINC001401729476 924919752 /nfs/dbraw/zinc/91/97/52/924919752.db2.gz ASUIYNVPMCKCQB-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001401729476 924919760 /nfs/dbraw/zinc/91/97/60/924919760.db2.gz ASUIYNVPMCKCQB-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001401750821 924919859 /nfs/dbraw/zinc/91/98/59/924919859.db2.gz ONHFDKQWDWPPMZ-ZWNOBZJWSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001401761488 924921717 /nfs/dbraw/zinc/92/17/17/924921717.db2.gz LXBOEQBGHFWROG-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001401761488 924921723 /nfs/dbraw/zinc/92/17/23/924921723.db2.gz LXBOEQBGHFWROG-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001401763279 924922018 /nfs/dbraw/zinc/92/20/18/924922018.db2.gz QHICMRMTUMHELJ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001401763279 924922022 /nfs/dbraw/zinc/92/20/22/924922022.db2.gz QHICMRMTUMHELJ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001401783207 924922620 /nfs/dbraw/zinc/92/26/20/924922620.db2.gz SXGSDEGETRQTEC-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001401783207 924922625 /nfs/dbraw/zinc/92/26/25/924922625.db2.gz SXGSDEGETRQTEC-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812914 924923786 /nfs/dbraw/zinc/92/37/86/924923786.db2.gz BHHHQWNDVUZMPH-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812914 924923794 /nfs/dbraw/zinc/92/37/94/924923794.db2.gz BHHHQWNDVUZMPH-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 ZINC001401831693 924924578 /nfs/dbraw/zinc/92/45/78/924924578.db2.gz CGGATGRRWUSLMX-MNOVXSKESA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)n1 ZINC001401831698 924924830 /nfs/dbraw/zinc/92/48/30/924924830.db2.gz CGGATGRRWUSLMX-WDEREUQCSA-N 1 1 308.342 -1.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001401885866 924926916 /nfs/dbraw/zinc/92/69/16/924926916.db2.gz DBTDUYGPSNZYHR-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001401889108 924929539 /nfs/dbraw/zinc/92/95/39/924929539.db2.gz LEQXVDNNLSRBEX-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001401906015 924930848 /nfs/dbraw/zinc/93/08/48/924930848.db2.gz IOQWSNZDVUKFDX-RYUDHWBXSA-N 1 1 314.386 -2.384 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001401906010 924932023 /nfs/dbraw/zinc/93/20/23/924932023.db2.gz IOQWSNZDVUKFDX-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](O)COC ZINC001401916740 924934045 /nfs/dbraw/zinc/93/40/45/924934045.db2.gz JTTURXDMYJUKOO-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)COC ZINC001401916740 924934053 /nfs/dbraw/zinc/93/40/53/924934053.db2.gz JTTURXDMYJUKOO-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001401936385 924934350 /nfs/dbraw/zinc/93/43/50/924934350.db2.gz TYCVJNRJCBTBMX-RYUDHWBXSA-N 1 1 324.385 -1.250 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC001401942319 924935485 /nfs/dbraw/zinc/93/54/85/924935485.db2.gz SDEMAMJRGVRZAA-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)Cn3cncn3)CC2)nc1=O ZINC001401985310 924937124 /nfs/dbraw/zinc/93/71/24/924937124.db2.gz XRDXSYACQDFEJR-UHFFFAOYSA-N 1 1 306.330 -1.862 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3ccnnc3)CC2)nc1=O ZINC001401964500 924937507 /nfs/dbraw/zinc/93/75/07/924937507.db2.gz UXDIZFARVVRZIN-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO CCC(=O)NCC(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001402007582 924939551 /nfs/dbraw/zinc/93/95/51/924939551.db2.gz CTQZFVAEGSWHID-ZDUSSCGKSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C1C[NH+](CCCO)C1 ZINC001402033384 924940794 /nfs/dbraw/zinc/94/07/94/924940794.db2.gz KKFFWHNWOYUPAZ-CYBMUJFWSA-N 1 1 319.427 -1.017 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001402023300 924941128 /nfs/dbraw/zinc/94/11/28/924941128.db2.gz LKDRLJDSOGCHDK-SNVBAGLBSA-N 1 1 322.431 -1.440 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001402035030 924942052 /nfs/dbraw/zinc/94/20/52/924942052.db2.gz DILBARSTXLODNA-LBPRGKRZSA-N 1 1 324.385 -1.555 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001402023298 924942104 /nfs/dbraw/zinc/94/21/04/924942104.db2.gz LKDRLJDSOGCHDK-JTQLQIEISA-N 1 1 322.431 -1.440 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001402104018 924945948 /nfs/dbraw/zinc/94/59/48/924945948.db2.gz JSLLGLITTULGTB-ZFWWWQNUSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402137030 924946675 /nfs/dbraw/zinc/94/66/75/924946675.db2.gz QLOJCRNXFDCROL-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402137030 924946684 /nfs/dbraw/zinc/94/66/84/924946684.db2.gz QLOJCRNXFDCROL-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)COC)C1 ZINC001402124616 924946954 /nfs/dbraw/zinc/94/69/54/924946954.db2.gz FLHJUFBRMHUGOG-ZYHUDNBSSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402136996 924947627 /nfs/dbraw/zinc/94/76/27/924947627.db2.gz QLOJCRNXFDCROL-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402136996 924947631 /nfs/dbraw/zinc/94/76/31/924947631.db2.gz QLOJCRNXFDCROL-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138188 924948647 /nfs/dbraw/zinc/94/86/47/924948647.db2.gz PGTGDRWOCXNPDV-JOYOIKCWSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138188 924948653 /nfs/dbraw/zinc/94/86/53/924948653.db2.gz PGTGDRWOCXNPDV-JOYOIKCWSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402174392 924951097 /nfs/dbraw/zinc/95/10/97/924951097.db2.gz NTAYJQBMSLNIEG-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402174392 924951106 /nfs/dbraw/zinc/95/11/06/924951106.db2.gz NTAYJQBMSLNIEG-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001402171116 924951125 /nfs/dbraw/zinc/95/11/25/924951125.db2.gz ZDJOJKIUNGSSDY-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171495 924951198 /nfs/dbraw/zinc/95/11/98/924951198.db2.gz HRHFEYIIUDMVFB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171495 924951206 /nfs/dbraw/zinc/95/12/06/924951206.db2.gz HRHFEYIIUDMVFB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402174389 924951708 /nfs/dbraw/zinc/95/17/08/924951708.db2.gz NTAYJQBMSLNIEG-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402174389 924951717 /nfs/dbraw/zinc/95/17/17/924951717.db2.gz NTAYJQBMSLNIEG-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001402215273 924952013 /nfs/dbraw/zinc/95/20/13/924952013.db2.gz BXDDCZIUVHJHEN-JTQLQIEISA-N 1 1 316.387 -1.982 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001402215273 924952021 /nfs/dbraw/zinc/95/20/21/924952021.db2.gz BXDDCZIUVHJHEN-JTQLQIEISA-N 1 1 316.387 -1.982 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001402249779 924952953 /nfs/dbraw/zinc/95/29/53/924952953.db2.gz QCDHZUNNFZDICR-CQSZACIVSA-N 1 1 309.370 -1.391 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001402249779 924952963 /nfs/dbraw/zinc/95/29/63/924952963.db2.gz QCDHZUNNFZDICR-CQSZACIVSA-N 1 1 309.370 -1.391 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCC[N@@H+](CCO)C1 ZINC001402220430 924953021 /nfs/dbraw/zinc/95/30/21/924953021.db2.gz FZFIOANLNBMFRI-WCQYABFASA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnnn2)CCC[N@H+](CC(N)=O)C1 ZINC001402222787 924953088 /nfs/dbraw/zinc/95/30/88/924953088.db2.gz IDBOMWNCJURMIY-ZDUSSCGKSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnnn2)CCC[N@@H+](CC(N)=O)C1 ZINC001402222787 924953094 /nfs/dbraw/zinc/95/30/94/924953094.db2.gz IDBOMWNCJURMIY-ZDUSSCGKSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCC[N@@H+](CCO)C1 ZINC001402220434 924953472 /nfs/dbraw/zinc/95/34/72/924953472.db2.gz FZFIOANLNBMFRI-YPMHNXCESA-N 1 1 319.427 -1.111 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001402240505 924953987 /nfs/dbraw/zinc/95/39/87/924953987.db2.gz BNAKGAJDQQDLPN-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001402240505 924953988 /nfs/dbraw/zinc/95/39/88/924953988.db2.gz BNAKGAJDQQDLPN-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CCC[N@@H+](CCO)C1 ZINC001402220427 924954332 /nfs/dbraw/zinc/95/43/32/924954332.db2.gz FZFIOANLNBMFRI-DGCLKSJQSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](CCO)CCC1(F)F ZINC001402233841 924954379 /nfs/dbraw/zinc/95/43/79/924954379.db2.gz HVQDCTZZHWCDIP-VIFPVBQESA-N 1 1 304.301 -1.261 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1)S(C)(=O)=O ZINC001402260423 924955309 /nfs/dbraw/zinc/95/53/09/924955309.db2.gz AVQHMWFXRABFEG-NSHDSACASA-N 1 1 311.379 -1.600 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1)S(C)(=O)=O ZINC001402260423 924955318 /nfs/dbraw/zinc/95/53/18/924955318.db2.gz AVQHMWFXRABFEG-NSHDSACASA-N 1 1 311.379 -1.600 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402265242 924955492 /nfs/dbraw/zinc/95/54/92/924955492.db2.gz HICISGNTUQUGGW-AWEZNQCLSA-N 1 1 324.385 -1.598 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402265242 924955495 /nfs/dbraw/zinc/95/54/95/924955495.db2.gz HICISGNTUQUGGW-AWEZNQCLSA-N 1 1 324.385 -1.598 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001402265110 924956209 /nfs/dbraw/zinc/95/62/09/924956209.db2.gz HNUJRFXZSIQGRO-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001402265110 924956214 /nfs/dbraw/zinc/95/62/14/924956214.db2.gz HNUJRFXZSIQGRO-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402265259 924956513 /nfs/dbraw/zinc/95/65/13/924956513.db2.gz HICISGNTUQUGGW-CQSZACIVSA-N 1 1 324.385 -1.598 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402265259 924956517 /nfs/dbraw/zinc/95/65/17/924956517.db2.gz HICISGNTUQUGGW-CQSZACIVSA-N 1 1 324.385 -1.598 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001402265097 924956749 /nfs/dbraw/zinc/95/67/49/924956749.db2.gz HNUJRFXZSIQGRO-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001402265097 924956754 /nfs/dbraw/zinc/95/67/54/924956754.db2.gz HNUJRFXZSIQGRO-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263766 924956896 /nfs/dbraw/zinc/95/68/96/924956896.db2.gz GLNYFTVQXDQGKZ-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263766 924956906 /nfs/dbraw/zinc/95/69/06/924956906.db2.gz GLNYFTVQXDQGKZ-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402272399 924957694 /nfs/dbraw/zinc/95/76/94/924957694.db2.gz KJCUXKQVEPJYFE-JOYOIKCWSA-N 1 1 314.346 -2.616 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402268901 924957939 /nfs/dbraw/zinc/95/79/39/924957939.db2.gz UKKJAXVFLFACFQ-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402268901 924957952 /nfs/dbraw/zinc/95/79/52/924957952.db2.gz UKKJAXVFLFACFQ-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267846 924958122 /nfs/dbraw/zinc/95/81/22/924958122.db2.gz AFHAFPNTDMQIOW-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267846 924958129 /nfs/dbraw/zinc/95/81/29/924958129.db2.gz AFHAFPNTDMQIOW-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402266333 924958183 /nfs/dbraw/zinc/95/81/83/924958183.db2.gz DARJWUSMAKWRIA-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402266333 924958191 /nfs/dbraw/zinc/95/81/91/924958191.db2.gz DARJWUSMAKWRIA-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001402268401 924958269 /nfs/dbraw/zinc/95/82/69/924958269.db2.gz QLVRQSJICMCEQN-IUODEOHRSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001402268401 924958284 /nfs/dbraw/zinc/95/82/84/924958284.db2.gz QLVRQSJICMCEQN-IUODEOHRSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402267609 924958339 /nfs/dbraw/zinc/95/83/39/924958339.db2.gz JQWXCVBZQMUPIT-AWEZNQCLSA-N 1 1 309.370 -1.299 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402272398 924958593 /nfs/dbraw/zinc/95/85/93/924958593.db2.gz KJCUXKQVEPJYFE-CABZTGNLSA-N 1 1 314.346 -2.616 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001402267526 924958664 /nfs/dbraw/zinc/95/86/64/924958664.db2.gz RVPARLUYZJKHNE-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402269031 924958683 /nfs/dbraw/zinc/95/86/83/924958683.db2.gz RGUNLGXPNOVNON-XHDPSFHLSA-N 1 1 313.398 -1.021 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001402272765 924958808 /nfs/dbraw/zinc/95/88/08/924958808.db2.gz OWRUFGDSFKLVBB-BXUZGUMPSA-N 1 1 316.402 -1.371 20 0 DAADMO CC1(C)C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402267424 924958849 /nfs/dbraw/zinc/95/88/49/924958849.db2.gz OEIOZYDCKKHOQK-XPTSAGLGSA-N 1 1 312.370 -1.220 20 0 DAADMO CC1(C)C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402267424 924958859 /nfs/dbraw/zinc/95/88/59/924958859.db2.gz OEIOZYDCKKHOQK-XPTSAGLGSA-N 1 1 312.370 -1.220 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402272189 924959029 /nfs/dbraw/zinc/95/90/29/924959029.db2.gz PHYLFABYVMLLFG-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402272189 924959040 /nfs/dbraw/zinc/95/90/40/924959040.db2.gz PHYLFABYVMLLFG-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001402269128 924959498 /nfs/dbraw/zinc/95/94/98/924959498.db2.gz LGTWSOCNUHMBHF-OAHLLOKOSA-N 1 1 313.398 -1.019 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001402269128 924959505 /nfs/dbraw/zinc/95/95/05/924959505.db2.gz LGTWSOCNUHMBHF-OAHLLOKOSA-N 1 1 313.398 -1.019 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402266329 924960003 /nfs/dbraw/zinc/96/00/03/924960003.db2.gz DARJWUSMAKWRIA-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402266329 924960010 /nfs/dbraw/zinc/96/00/10/924960010.db2.gz DARJWUSMAKWRIA-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001402273848 924960466 /nfs/dbraw/zinc/96/04/66/924960466.db2.gz BVAPCFVSAKUUTK-LBPRGKRZSA-N 1 1 322.431 -1.607 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1COC(=O)N1 ZINC001402273795 924960616 /nfs/dbraw/zinc/96/06/16/924960616.db2.gz ISJTVZNPNFXKDQ-FZMZJTMJSA-N 1 1 323.353 -1.456 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001402273825 924960695 /nfs/dbraw/zinc/96/06/95/924960695.db2.gz BJICROFVLABHJV-SWLSCSKDSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001402273825 924960697 /nfs/dbraw/zinc/96/06/97/924960697.db2.gz BJICROFVLABHJV-SWLSCSKDSA-N 1 1 323.397 -1.073 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402277307 924961212 /nfs/dbraw/zinc/96/12/12/924961212.db2.gz TYWYUSBYWFRCEJ-IAQYHMDHSA-N 1 1 311.382 -1.267 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402277307 924961219 /nfs/dbraw/zinc/96/12/19/924961219.db2.gz TYWYUSBYWFRCEJ-IAQYHMDHSA-N 1 1 311.382 -1.267 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274847 924961353 /nfs/dbraw/zinc/96/13/53/924961353.db2.gz LCURXDIIRPWCFJ-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001402272781 924961388 /nfs/dbraw/zinc/96/13/88/924961388.db2.gz OWRUFGDSFKLVBB-SMDDNHRTSA-N 1 1 316.402 -1.371 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001402276439 924961487 /nfs/dbraw/zinc/96/14/87/924961487.db2.gz OZQBQGNJVRZZSQ-RNCFNFMXSA-N 1 1 323.357 -2.345 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001402276603 924962123 /nfs/dbraw/zinc/96/21/23/924962123.db2.gz ZNUGSHPWVFBISO-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001402276603 924962132 /nfs/dbraw/zinc/96/21/32/924962132.db2.gz ZNUGSHPWVFBISO-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402275007 924962147 /nfs/dbraw/zinc/96/21/47/924962147.db2.gz JEMJXSQGFKFREM-GXFFZTMASA-N 1 1 302.375 -1.761 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001402275107 924962404 /nfs/dbraw/zinc/96/24/04/924962404.db2.gz QIZDZXKCABVMAV-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001402275107 924962411 /nfs/dbraw/zinc/96/24/11/924962411.db2.gz QIZDZXKCABVMAV-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001402274843 924962455 /nfs/dbraw/zinc/96/24/55/924962455.db2.gz LAURUWDMHDGBGR-CYBMUJFWSA-N 1 1 313.358 -2.219 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001402280261 924962904 /nfs/dbraw/zinc/96/29/04/924962904.db2.gz QIGZVNQWLGXLGL-GFCCVEGCSA-N 1 1 306.330 -1.737 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001402280261 924962913 /nfs/dbraw/zinc/96/29/13/924962913.db2.gz QIGZVNQWLGXLGL-GFCCVEGCSA-N 1 1 306.330 -1.737 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001402280261 924962921 /nfs/dbraw/zinc/96/29/21/924962921.db2.gz QIGZVNQWLGXLGL-GFCCVEGCSA-N 1 1 306.330 -1.737 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001402284620 924963163 /nfs/dbraw/zinc/96/31/63/924963163.db2.gz RNXLHRIHICOPQJ-RDDDGLTNSA-N 1 1 320.296 -1.611 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001402284620 924963168 /nfs/dbraw/zinc/96/31/68/924963168.db2.gz RNXLHRIHICOPQJ-RDDDGLTNSA-N 1 1 320.296 -1.611 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001402284626 924963633 /nfs/dbraw/zinc/96/36/33/924963633.db2.gz RNXLHRIHICOPQJ-WRWORJQWSA-N 1 1 320.296 -1.611 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001402284626 924963641 /nfs/dbraw/zinc/96/36/41/924963641.db2.gz RNXLHRIHICOPQJ-WRWORJQWSA-N 1 1 320.296 -1.611 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402278705 924964129 /nfs/dbraw/zinc/96/41/29/924964129.db2.gz ROFWMRFWKVHWRC-TVEHIPJCSA-N 1 1 311.382 -1.304 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001402282335 924964695 /nfs/dbraw/zinc/96/46/95/924964695.db2.gz QNUHKXAETFSPOG-SMDDNHRTSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001402282335 924964701 /nfs/dbraw/zinc/96/47/01/924964701.db2.gz QNUHKXAETFSPOG-SMDDNHRTSA-N 1 1 322.369 -1.647 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001402288283 924965090 /nfs/dbraw/zinc/96/50/90/924965090.db2.gz YXWCRBLKLPMJGN-LBPRGKRZSA-N 1 1 311.346 -2.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001402288283 924965100 /nfs/dbraw/zinc/96/51/00/924965100.db2.gz YXWCRBLKLPMJGN-LBPRGKRZSA-N 1 1 311.346 -2.686 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001402286870 924965459 /nfs/dbraw/zinc/96/54/59/924965459.db2.gz KVTKCCMLTUSOPV-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001402286870 924965465 /nfs/dbraw/zinc/96/54/65/924965465.db2.gz KVTKCCMLTUSOPV-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO CN(C)C(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402288741 924965523 /nfs/dbraw/zinc/96/55/23/924965523.db2.gz LASWCYMOOVYKMG-DOMZBBRYSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001402292749 924965975 /nfs/dbraw/zinc/96/59/75/924965975.db2.gz RDKFQVVHDYVRLZ-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001402292749 924965987 /nfs/dbraw/zinc/96/59/87/924965987.db2.gz RDKFQVVHDYVRLZ-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402287147 924966488 /nfs/dbraw/zinc/96/64/88/924966488.db2.gz FSKKSTAMGVTRNL-YGRLFVJLSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402287147 924966495 /nfs/dbraw/zinc/96/64/95/924966495.db2.gz FSKKSTAMGVTRNL-YGRLFVJLSA-N 1 1 312.370 -1.917 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001402287204 924966650 /nfs/dbraw/zinc/96/66/50/924966650.db2.gz LFAUHEJSQXUIJX-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001402287204 924966657 /nfs/dbraw/zinc/96/66/57/924966657.db2.gz LFAUHEJSQXUIJX-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402295157 924968008 /nfs/dbraw/zinc/96/80/08/924968008.db2.gz UXAASPWMYATCHF-CQSZACIVSA-N 1 1 301.387 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001402300878 924968524 /nfs/dbraw/zinc/96/85/24/924968524.db2.gz SLTYDAFMCWNNPD-ZDUSSCGKSA-N 1 1 311.342 -1.780 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001402300878 924968533 /nfs/dbraw/zinc/96/85/33/924968533.db2.gz SLTYDAFMCWNNPD-ZDUSSCGKSA-N 1 1 311.342 -1.780 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402297809 924969270 /nfs/dbraw/zinc/96/92/70/924969270.db2.gz XJOJWUUPIAZSLK-CYBMUJFWSA-N 1 1 300.359 -3.037 20 0 DAADMO Cn1ncnc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402297722 924969348 /nfs/dbraw/zinc/96/93/48/924969348.db2.gz WZBWEOKIZAVLMM-DOMZBBRYSA-N 1 1 322.413 -1.038 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001402303773 924970082 /nfs/dbraw/zinc/97/00/82/924970082.db2.gz WJJGPUUNVXTUQK-FZMZJTMJSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303773 924970093 /nfs/dbraw/zinc/97/00/93/924970093.db2.gz WJJGPUUNVXTUQK-FZMZJTMJSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303773 924970105 /nfs/dbraw/zinc/97/01/05/924970105.db2.gz WJJGPUUNVXTUQK-FZMZJTMJSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402305485 924970738 /nfs/dbraw/zinc/97/07/38/924970738.db2.gz YFQWWGBSPPMTCG-GXFFZTMASA-N 1 1 300.359 -2.061 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402305485 924970747 /nfs/dbraw/zinc/97/07/47/924970747.db2.gz YFQWWGBSPPMTCG-GXFFZTMASA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402305008 924970902 /nfs/dbraw/zinc/97/09/02/924970902.db2.gz HQQSODJIBRVVAF-SNVBAGLBSA-N 1 1 300.359 -2.774 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402305008 924970916 /nfs/dbraw/zinc/97/09/16/924970916.db2.gz HQQSODJIBRVVAF-SNVBAGLBSA-N 1 1 300.359 -2.774 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001402303793 924971083 /nfs/dbraw/zinc/97/10/83/924971083.db2.gz WJJGPUUNVXTUQK-RISCZKNCSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303793 924971091 /nfs/dbraw/zinc/97/10/91/924971091.db2.gz WJJGPUUNVXTUQK-RISCZKNCSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303793 924971098 /nfs/dbraw/zinc/97/10/98/924971098.db2.gz WJJGPUUNVXTUQK-RISCZKNCSA-N 1 1 324.385 -1.446 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)nn1 ZINC001402308409 924971414 /nfs/dbraw/zinc/97/14/14/924971414.db2.gz ZLDHGSIZMKQWJE-ZDUSSCGKSA-N 1 1 310.358 -1.789 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001402308409 924971417 /nfs/dbraw/zinc/97/14/17/924971417.db2.gz ZLDHGSIZMKQWJE-ZDUSSCGKSA-N 1 1 310.358 -1.789 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317491 924972385 /nfs/dbraw/zinc/97/23/85/924972385.db2.gz OTAHZTXFNFMESV-SMDDNHRTSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317491 924972389 /nfs/dbraw/zinc/97/23/89/924972389.db2.gz OTAHZTXFNFMESV-SMDDNHRTSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317220 924972845 /nfs/dbraw/zinc/97/28/45/924972845.db2.gz OEEJMBDWISQSOF-SWLSCSKDSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317220 924972851 /nfs/dbraw/zinc/97/28/51/924972851.db2.gz OEEJMBDWISQSOF-SWLSCSKDSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317235 924973253 /nfs/dbraw/zinc/97/32/53/924973253.db2.gz OEEJMBDWISQSOF-WFASDCNBSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317235 924973261 /nfs/dbraw/zinc/97/32/61/924973261.db2.gz OEEJMBDWISQSOF-WFASDCNBSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317486 924973983 /nfs/dbraw/zinc/97/39/83/924973983.db2.gz OTAHZTXFNFMESV-FZMZJTMJSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402317486 924973987 /nfs/dbraw/zinc/97/39/87/924973987.db2.gz OTAHZTXFNFMESV-FZMZJTMJSA-N 1 1 322.369 -1.853 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402324354 924975086 /nfs/dbraw/zinc/97/50/86/924975086.db2.gz RQIHXJVDWKSKPB-MNOVXSKESA-N 1 1 323.401 -1.472 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001402334353 924977652 /nfs/dbraw/zinc/97/76/52/924977652.db2.gz HBYHZRFOSJEPFM-MNOVXSKESA-N 1 1 321.385 -1.185 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001402329703 924977700 /nfs/dbraw/zinc/97/77/00/924977700.db2.gz ARUOWKBQZXMJRX-STQMWFEESA-N 1 1 324.425 -1.089 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC1(O)C[NH+](CC(C)C)C1 ZINC001402334297 924977732 /nfs/dbraw/zinc/97/77/32/924977732.db2.gz OMTIRRCMTGQTPO-UHFFFAOYSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001402329692 924978334 /nfs/dbraw/zinc/97/83/34/924978334.db2.gz ARUOWKBQZXMJRX-CHWSQXEVSA-N 1 1 324.425 -1.089 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]([NH2+]Cc2ncnn2C)C2CC2)NC1=O ZINC001402339834 924981608 /nfs/dbraw/zinc/98/16/08/924981608.db2.gz WIIVKBKWWXARFO-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001402345153 924983331 /nfs/dbraw/zinc/98/33/31/924983331.db2.gz ZCNVOUPPZMBICH-LLVKDONJSA-N 1 1 310.358 -1.595 20 0 DAADMO CN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)NC1=O ZINC001402346320 924983343 /nfs/dbraw/zinc/98/33/43/924983343.db2.gz BLTQNQNDVTYZLQ-WDEREUQCSA-N 1 1 312.370 -1.791 20 0 DAADMO CN1CCN(CC(=O)NCC2(O)C[NH+](CCC3CC3)C2)CC1=O ZINC001402347912 924983595 /nfs/dbraw/zinc/98/35/95/924983595.db2.gz VNCVEKFYMFPEDQ-UHFFFAOYSA-N 1 1 324.425 -1.277 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402350925 924985256 /nfs/dbraw/zinc/98/52/56/924985256.db2.gz DZAFFBYMFYVZPJ-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001402373161 924991916 /nfs/dbraw/zinc/99/19/16/924991916.db2.gz QIQRHGHGQVDANS-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001402373157 924991930 /nfs/dbraw/zinc/99/19/30/924991930.db2.gz QIQRHGHGQVDANS-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001402418492 924994229 /nfs/dbraw/zinc/99/42/29/924994229.db2.gz NUNNMFSYQNQRHJ-AOOOYVTPSA-N 1 1 320.353 -1.381 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001402435247 924994853 /nfs/dbraw/zinc/99/48/53/924994853.db2.gz GXBHOUKSJGYUJI-GARJFASQSA-N 1 1 321.385 -1.238 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001402435247 924994862 /nfs/dbraw/zinc/99/48/62/924994862.db2.gz GXBHOUKSJGYUJI-GARJFASQSA-N 1 1 321.385 -1.238 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCNC(N)=O)C2 ZINC001402434076 924994915 /nfs/dbraw/zinc/99/49/15/924994915.db2.gz FTHPQCLSXZKIFM-JGPRNRPPSA-N 1 1 311.386 -1.111 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)n1 ZINC001402425661 924995067 /nfs/dbraw/zinc/99/50/67/924995067.db2.gz UTTPZNXKKWMTTP-AOOOYVTPSA-N 1 1 320.353 -1.381 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402447373 924996228 /nfs/dbraw/zinc/99/62/28/924996228.db2.gz JHHGZVJOHCPDTO-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cncn2)C1 ZINC001402448079 924996287 /nfs/dbraw/zinc/99/62/87/924996287.db2.gz GDUAOYDHGICKEI-GXTWGEPZSA-N 1 1 311.386 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cncn2)C1 ZINC001402448091 924996572 /nfs/dbraw/zinc/99/65/72/924996572.db2.gz GDUAOYDHGICKEI-TZMCWYRMSA-N 1 1 311.386 -1.008 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402439000 924996754 /nfs/dbraw/zinc/99/67/54/924996754.db2.gz HISYGBBCJDPUAK-FZMZJTMJSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402439000 924996759 /nfs/dbraw/zinc/99/67/59/924996759.db2.gz HISYGBBCJDPUAK-FZMZJTMJSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402439006 924996897 /nfs/dbraw/zinc/99/68/97/924996897.db2.gz HISYGBBCJDPUAK-SMDDNHRTSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402439006 924996903 /nfs/dbraw/zinc/99/69/03/924996903.db2.gz HISYGBBCJDPUAK-SMDDNHRTSA-N 1 1 312.370 -2.046 20 0 DAADMO CCOCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001402449292 924998007 /nfs/dbraw/zinc/99/80/07/924998007.db2.gz YFGLBKKVBHHTGB-TZMCWYRMSA-N 1 1 304.387 -1.027 20 0 DAADMO C[C@H](CC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1)NC(N)=O ZINC001402453557 924998706 /nfs/dbraw/zinc/99/87/06/924998706.db2.gz QRKJOJPTRIISPW-RISCZKNCSA-N 1 1 316.402 -1.241 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001402456669 924999073 /nfs/dbraw/zinc/99/90/73/924999073.db2.gz MXPAFIPASAIJTN-CMPLNLGQSA-N 1 1 321.399 -2.387 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001402455119 924999399 /nfs/dbraw/zinc/99/93/99/924999399.db2.gz UGIHJZGOUNZZHG-BXUZGUMPSA-N 1 1 316.402 -1.371 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001402456681 924999801 /nfs/dbraw/zinc/99/98/01/924999801.db2.gz MXPAFIPASAIJTN-ZYHUDNBSSA-N 1 1 321.399 -2.387 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402458675 924999916 /nfs/dbraw/zinc/99/99/16/924999916.db2.gz WIATYAUOOFSNMH-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001402457311 925000036 /nfs/dbraw/zinc/00/00/36/925000036.db2.gz YGYKBDZKOBARRA-BXUZGUMPSA-N 1 1 312.370 -1.026 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCO ZINC001402473673 925001155 /nfs/dbraw/zinc/00/11/55/925001155.db2.gz KNLSBASEGBCFJL-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001402468470 925001586 /nfs/dbraw/zinc/00/15/86/925001586.db2.gz PUTCZVBOEGASTM-DOMZBBRYSA-N 1 1 313.398 -1.067 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001402483786 925003716 /nfs/dbraw/zinc/00/37/16/925003716.db2.gz MCBUJYMAJZBVDL-GRYCIOLGSA-N 1 1 324.385 -1.104 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001402497702 925005464 /nfs/dbraw/zinc/00/54/64/925005464.db2.gz WAOLFDXUPSHQHR-LSJOCFKGSA-N 1 1 309.374 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001402498874 925005479 /nfs/dbraw/zinc/00/54/79/925005479.db2.gz VONLGQCWRPQXKN-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001402498874 925005487 /nfs/dbraw/zinc/00/54/87/925005487.db2.gz VONLGQCWRPQXKN-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cn1cnnn1)c1ncccn1 ZINC001402536223 925009208 /nfs/dbraw/zinc/00/92/08/925009208.db2.gz FORGSXODIVMRGM-NSHDSACASA-N 1 1 320.357 -1.365 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1cnnn1)c1ncccn1 ZINC001402536219 925009306 /nfs/dbraw/zinc/00/93/06/925009306.db2.gz FORGSXODIVMRGM-LLVKDONJSA-N 1 1 320.357 -1.365 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1CC(=O)NC ZINC001402526256 925009959 /nfs/dbraw/zinc/00/99/59/925009959.db2.gz JIUABPIDOAFHAE-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001402541921 925010296 /nfs/dbraw/zinc/01/02/96/925010296.db2.gz DWLFEFQHJFRGHV-KYZUINATSA-N 1 1 322.373 -1.197 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001402579486 925014100 /nfs/dbraw/zinc/01/41/00/925014100.db2.gz VWAMSOJVXAVYJO-BBBLOLIVSA-N 1 1 309.374 -1.001 20 0 DAADMO CN(CC(=O)N[C@H]1CCC[N@@H+](CCO)CC1)S(C)(=O)=O ZINC001402603881 925014435 /nfs/dbraw/zinc/01/44/35/925014435.db2.gz GDGHCLJLZAKMEL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001402655298 925018863 /nfs/dbraw/zinc/01/88/63/925018863.db2.gz HVXWWBGKKVXCPS-GFCCVEGCSA-N 1 1 301.387 -1.040 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001402647725 925019635 /nfs/dbraw/zinc/01/96/35/925019635.db2.gz HKZZVGZZOPMAJY-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001402642411 925020744 /nfs/dbraw/zinc/02/07/44/925020744.db2.gz XNGDSZLIMXOQMP-DTORHVGOSA-N 1 1 317.371 -1.336 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CN1CCNC(=O)C1)O2 ZINC001402688341 925021808 /nfs/dbraw/zinc/02/18/08/925021808.db2.gz NXFAQFDOKGKPIL-GFCCVEGCSA-N 1 1 310.398 -1.212 20 0 DAADMO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001402726842 925025170 /nfs/dbraw/zinc/02/51/70/925025170.db2.gz UOXVMRXVHKSDKA-AWEZNQCLSA-N 1 1 324.385 -1.194 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001402722397 925025311 /nfs/dbraw/zinc/02/53/11/925025311.db2.gz ZXYUIXHTEMLLBC-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001402722397 925025318 /nfs/dbraw/zinc/02/53/18/925025318.db2.gz ZXYUIXHTEMLLBC-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)C[NH2+]CC1(NC(=O)CCc2nc[nH]n2)CCOCC1 ZINC001402740220 925026799 /nfs/dbraw/zinc/02/67/99/925026799.db2.gz FLRFJSRGBACZDW-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CNC(=O)C[NH2+]CC1(NC(=O)Cc2nnc[nH]2)CCOCC1 ZINC001402752422 925027393 /nfs/dbraw/zinc/02/73/93/925027393.db2.gz XZPWKNXKTSTITQ-UHFFFAOYSA-N 1 1 310.358 -1.652 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC001402794382 925029216 /nfs/dbraw/zinc/02/92/16/925029216.db2.gz PQMSDAWQYCIIEO-GXSJLCMTSA-N 1 1 322.369 -1.156 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001402800827 925030691 /nfs/dbraw/zinc/03/06/91/925030691.db2.gz JEIBGMJQIKJFGD-KGDYZURWSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001402800827 925030697 /nfs/dbraw/zinc/03/06/97/925030697.db2.gz JEIBGMJQIKJFGD-KGDYZURWSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCO ZINC001402815939 925030736 /nfs/dbraw/zinc/03/07/36/925030736.db2.gz FGSDEVRVWDKHNI-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001402809282 925031988 /nfs/dbraw/zinc/03/19/88/925031988.db2.gz APIGEASIFMYSEA-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001402800833 925032393 /nfs/dbraw/zinc/03/23/93/925032393.db2.gz JEIBGMJQIKJFGD-VFCFLDTKSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001402800833 925032405 /nfs/dbraw/zinc/03/24/05/925032405.db2.gz JEIBGMJQIKJFGD-VFCFLDTKSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCO ZINC001402815942 925032477 /nfs/dbraw/zinc/03/24/77/925032477.db2.gz FGSDEVRVWDKHNI-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)n2cncn2)CC1 ZINC001402860706 925033154 /nfs/dbraw/zinc/03/31/54/925033154.db2.gz IFIUCZRXRSHVRG-LLVKDONJSA-N 1 1 324.385 -1.472 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CNC(C)=O)CC1 ZINC001402859257 925033564 /nfs/dbraw/zinc/03/35/64/925033564.db2.gz YBKQZAQRTLWODM-LLVKDONJSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccncn2)CC1 ZINC001402877611 925035659 /nfs/dbraw/zinc/03/56/59/925035659.db2.gz MUSBCDMFFWNGDY-JTQLQIEISA-N 1 1 307.354 -1.093 20 0 DAADMO O=C(Cc1ncc[nH]1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001402879913 925036051 /nfs/dbraw/zinc/03/60/51/925036051.db2.gz UAOCVMCVWUJDQE-NSHDSACASA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cnoc2)CC1 ZINC001402879350 925036111 /nfs/dbraw/zinc/03/61/11/925036111.db2.gz IXINGSMVMYQPQT-UHFFFAOYSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001402862601 925036350 /nfs/dbraw/zinc/03/63/50/925036350.db2.gz ONOMUIWXXRQCSQ-WDEREUQCSA-N 1 1 301.387 -1.180 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)C2=COCCO2)CC1 ZINC001402868627 925036463 /nfs/dbraw/zinc/03/64/63/925036463.db2.gz JCPDISONBJJPKC-UHFFFAOYSA-N 1 1 313.354 -1.436 20 0 DAADMO Cn1cnn(CC(=O)NC2(CO)CC[NH+](CCF)CC2)c1=O ZINC001402879841 925036851 /nfs/dbraw/zinc/03/68/51/925036851.db2.gz UBAGSBORZBDTTN-UHFFFAOYSA-N 1 1 315.349 -1.506 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001402880544 925038150 /nfs/dbraw/zinc/03/81/50/925038150.db2.gz UFTKXFGWSBHQLM-VIFPVBQESA-N 1 1 324.389 -1.079 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001402895787 925039054 /nfs/dbraw/zinc/03/90/54/925039054.db2.gz VVKJDRYTIBJFFP-SNVBAGLBSA-N 1 1 317.415 -1.046 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnc2n1CCOC2 ZINC001402880603 925039097 /nfs/dbraw/zinc/03/90/97/925039097.db2.gz ULKBZJDSGBLUNM-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](CNC(=O)C(C)(C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001402910180 925040241 /nfs/dbraw/zinc/04/02/41/925040241.db2.gz CMFLMHOSJBPTDS-NSHDSACASA-N 1 1 300.403 -1.076 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001402907083 925040693 /nfs/dbraw/zinc/04/06/93/925040693.db2.gz UERVKBQZGMHNGS-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)cc1=O ZINC001402925800 925040954 /nfs/dbraw/zinc/04/09/54/925040954.db2.gz JUFKHMKZAJSDCE-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)cc1=O ZINC001402925800 925040965 /nfs/dbraw/zinc/04/09/65/925040965.db2.gz JUFKHMKZAJSDCE-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncccn1 ZINC001402904656 925040981 /nfs/dbraw/zinc/04/09/81/925040981.db2.gz JGFIVZAKDKMIEL-NSHDSACASA-N 1 1 307.354 -1.070 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cnn(C)n1 ZINC001402923075 925041209 /nfs/dbraw/zinc/04/12/09/925041209.db2.gz CZPVKLRWKMXHBS-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ncccn1 ZINC001402900716 925041410 /nfs/dbraw/zinc/04/14/10/925041410.db2.gz ZAQSYQYCJKRJIR-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)COCc2nncn2C)CC[N@@H+]1CC(N)=O ZINC001402903589 925041609 /nfs/dbraw/zinc/04/16/09/925041609.db2.gz DPXRDULFXBFMPM-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)COCc2nncn2C)CC[N@H+]1CC(N)=O ZINC001402903589 925041617 /nfs/dbraw/zinc/04/16/17/925041617.db2.gz DPXRDULFXBFMPM-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402918831 925041813 /nfs/dbraw/zinc/04/18/13/925041813.db2.gz DRWGJBMMPAOGFR-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402918831 925041822 /nfs/dbraw/zinc/04/18/22/925041822.db2.gz DRWGJBMMPAOGFR-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO COC(=O)NCC(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001402927145 925043390 /nfs/dbraw/zinc/04/33/90/925043390.db2.gz QBUWULJWWGHOLK-UHFFFAOYSA-N 1 1 311.346 -1.450 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001402991991 925045211 /nfs/dbraw/zinc/04/52/11/925045211.db2.gz GVNJBSQWWQKERV-SFYZADRCSA-N 1 1 320.375 -1.894 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001402969967 925045988 /nfs/dbraw/zinc/04/59/88/925045988.db2.gz FWLUXVFUPCVFLQ-DTWKUNHWSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nncn1C ZINC001403005316 925047020 /nfs/dbraw/zinc/04/70/20/925047020.db2.gz JCRDBXYGQVESIE-LPEHRKFASA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001403016686 925047759 /nfs/dbraw/zinc/04/77/59/925047759.db2.gz GCBHKLSIUQYMOQ-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)[NH2+]Cc1nncn1C ZINC001403059275 925048875 /nfs/dbraw/zinc/04/88/75/925048875.db2.gz RXGKJXKMVZHBTC-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001403062337 925049580 /nfs/dbraw/zinc/04/95/80/925049580.db2.gz VMHLAAIEKLRONL-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001403064145 925049760 /nfs/dbraw/zinc/04/97/60/925049760.db2.gz YGFGWIXQFWDEHX-BDAKNGLRSA-N 1 1 310.358 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001403060187 925050784 /nfs/dbraw/zinc/05/07/84/925050784.db2.gz ZWPALTCPKZGAPW-SFYZADRCSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001403093974 925051199 /nfs/dbraw/zinc/05/11/99/925051199.db2.gz DVGHTUMUHOSVQI-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001403104605 925051466 /nfs/dbraw/zinc/05/14/66/925051466.db2.gz FRQASXGYCNQBJD-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)[N@H+](C)CCNS(C)(=O)=O ZINC001403118440 925051733 /nfs/dbraw/zinc/05/17/33/925051733.db2.gz QQEHHWDVYMOUNI-JTQLQIEISA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)[N@@H+](C)CCNS(C)(=O)=O ZINC001403118440 925051744 /nfs/dbraw/zinc/05/17/44/925051744.db2.gz QQEHHWDVYMOUNI-JTQLQIEISA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001403109126 925052758 /nfs/dbraw/zinc/05/27/58/925052758.db2.gz KUKRVFYHXCOHNU-VHSXEESVSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ncnn1C ZINC001403117198 925053161 /nfs/dbraw/zinc/05/31/61/925053161.db2.gz QINNYAJUYDUDSQ-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001403125441 925053834 /nfs/dbraw/zinc/05/38/34/925053834.db2.gz WEMBXIZASSHJQO-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001403125441 925053841 /nfs/dbraw/zinc/05/38/41/925053841.db2.gz WEMBXIZASSHJQO-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001403122973 925053970 /nfs/dbraw/zinc/05/39/70/925053970.db2.gz FEGDMCOLMYUFLS-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403122973 925053981 /nfs/dbraw/zinc/05/39/81/925053981.db2.gz FEGDMCOLMYUFLS-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nonc1C ZINC001403135649 925054514 /nfs/dbraw/zinc/05/45/14/925054514.db2.gz JJLSRQQFFPVCEF-ZETCQYMHSA-N 1 1 305.360 -1.478 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nccn1C ZINC001403134820 925055455 /nfs/dbraw/zinc/05/54/55/925055455.db2.gz IFHCHMJRJYJEJQ-VHSXEESVSA-N 1 1 315.399 -1.294 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001403125429 925055498 /nfs/dbraw/zinc/05/54/98/925055498.db2.gz WEMBXIZASSHJQO-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001403125429 925055508 /nfs/dbraw/zinc/05/55/08/925055508.db2.gz WEMBXIZASSHJQO-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[N@H+](C)CC(N)=O ZINC001403143461 925055643 /nfs/dbraw/zinc/05/56/43/925055643.db2.gz OCGQPTAWIMFOSW-QMMMGPOBSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[N@@H+](C)CC(N)=O ZINC001403143461 925055653 /nfs/dbraw/zinc/05/56/53/925055653.db2.gz OCGQPTAWIMFOSW-QMMMGPOBSA-N 1 1 321.337 -1.052 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001403120754 925055778 /nfs/dbraw/zinc/05/57/78/925055778.db2.gz OZHZFTLGRMRBGK-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001403120754 925055784 /nfs/dbraw/zinc/05/57/84/925055784.db2.gz OZHZFTLGRMRBGK-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001403155408 925056147 /nfs/dbraw/zinc/05/61/47/925056147.db2.gz DRRYXWNSXGPMTE-NEPJUHHUSA-N 1 1 316.402 -2.138 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001403173578 925056183 /nfs/dbraw/zinc/05/61/83/925056183.db2.gz QHOMQXGGWAXCJW-VIFPVBQESA-N 1 1 310.362 -1.715 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)n1C ZINC001403178149 925056707 /nfs/dbraw/zinc/05/67/07/925056707.db2.gz ZWPVTIMQPWTXJV-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1C ZINC001403178149 925056716 /nfs/dbraw/zinc/05/67/16/925056716.db2.gz ZWPVTIMQPWTXJV-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](CNC(=O)Cc1cncn1C)[N@H+](C)CC(=O)NC(N)=O ZINC001403178172 925056874 /nfs/dbraw/zinc/05/68/74/925056874.db2.gz BQNQHBRYCYVEFI-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](CNC(=O)Cc1cncn1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001403178172 925056883 /nfs/dbraw/zinc/05/68/83/925056883.db2.gz BQNQHBRYCYVEFI-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001403174899 925057107 /nfs/dbraw/zinc/05/71/07/925057107.db2.gz APPTZKJHSCQPCP-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001403174899 925057119 /nfs/dbraw/zinc/05/71/19/925057119.db2.gz APPTZKJHSCQPCP-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001403163893 925057374 /nfs/dbraw/zinc/05/73/74/925057374.db2.gz CFMFKTHJMQJXKR-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001403163893 925057384 /nfs/dbraw/zinc/05/73/84/925057384.db2.gz CFMFKTHJMQJXKR-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1)C(N)=O ZINC001403193480 925059574 /nfs/dbraw/zinc/05/95/74/925059574.db2.gz BRGWDEYHXQTCKD-RYUDHWBXSA-N 1 1 323.353 -1.255 20 0 DAADMO COc1ccc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001403185297 925059810 /nfs/dbraw/zinc/05/98/10/925059810.db2.gz GPUWXLBGCZOBGM-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001403185297 925059817 /nfs/dbraw/zinc/05/98/17/925059817.db2.gz GPUWXLBGCZOBGM-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001403196742 925059985 /nfs/dbraw/zinc/05/99/85/925059985.db2.gz XMXRVOQGSCVPBU-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001403196742 925059995 /nfs/dbraw/zinc/05/99/95/925059995.db2.gz XMXRVOQGSCVPBU-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001403202138 925062142 /nfs/dbraw/zinc/06/21/42/925062142.db2.gz ZKRLLAHJRRSYFX-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001403202138 925062149 /nfs/dbraw/zinc/06/21/49/925062149.db2.gz ZKRLLAHJRRSYFX-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001403241570 925066232 /nfs/dbraw/zinc/06/62/32/925066232.db2.gz YZAUWDFYMQZWNX-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001403294331 925068790 /nfs/dbraw/zinc/06/87/90/925068790.db2.gz CPJYNDDPMZPMHE-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001403320053 925069847 /nfs/dbraw/zinc/06/98/47/925069847.db2.gz BVZUSTITMAQUDQ-RKDXNWHRSA-N 1 1 323.357 -1.702 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001403321606 925070034 /nfs/dbraw/zinc/07/00/34/925070034.db2.gz JXRKLJIRQASAST-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001403321606 925070045 /nfs/dbraw/zinc/07/00/45/925070045.db2.gz JXRKLJIRQASAST-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001403328125 925070109 /nfs/dbraw/zinc/07/01/09/925070109.db2.gz RWRSCMWIFAUZBH-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001403328125 925070117 /nfs/dbraw/zinc/07/01/17/925070117.db2.gz RWRSCMWIFAUZBH-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CC[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001403314076 925070281 /nfs/dbraw/zinc/07/02/81/925070281.db2.gz GTQGTVGEXNXBIZ-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403310689 925070306 /nfs/dbraw/zinc/07/03/06/925070306.db2.gz YORTXSGFSMABGQ-UWVGGRQHSA-N 1 1 314.386 -1.599 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001403303607 925070532 /nfs/dbraw/zinc/07/05/32/925070532.db2.gz ADEYYTKYJKMTAT-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001403303607 925070542 /nfs/dbraw/zinc/07/05/42/925070542.db2.gz ADEYYTKYJKMTAT-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](NC(=O)CCn1ncn(C)c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403309409 925071184 /nfs/dbraw/zinc/07/11/84/925071184.db2.gz FVSZNKWUJFOZRR-UWVGGRQHSA-N 1 1 324.385 -1.718 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(C[C@@H](C)O)C2)C1 ZINC001403346949 925072034 /nfs/dbraw/zinc/07/20/34/925072034.db2.gz VYKIDKXPEHWYGB-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(C[C@@H](C)O)C2)C1 ZINC001403346949 925072045 /nfs/dbraw/zinc/07/20/45/925072045.db2.gz VYKIDKXPEHWYGB-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001403353343 925072781 /nfs/dbraw/zinc/07/27/81/925072781.db2.gz CEPLCOUASDTHNY-NSHDSACASA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001403336146 925073142 /nfs/dbraw/zinc/07/31/42/925073142.db2.gz RDXQOFIFEKSRLO-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001403336146 925073150 /nfs/dbraw/zinc/07/31/50/925073150.db2.gz RDXQOFIFEKSRLO-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001403382679 925074031 /nfs/dbraw/zinc/07/40/31/925074031.db2.gz RFCOHKDDGWVOER-RTCCRHLQSA-N 1 1 305.400 -1.836 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)o1 ZINC001403386112 925074279 /nfs/dbraw/zinc/07/42/79/925074279.db2.gz FLOQBXBNWIHGDY-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)o1 ZINC001403386112 925074289 /nfs/dbraw/zinc/07/42/89/925074289.db2.gz FLOQBXBNWIHGDY-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC001403375478 925074765 /nfs/dbraw/zinc/07/47/65/925074765.db2.gz LGDFIJFBEYOPDH-WISYIIOYSA-N 1 1 318.381 -1.162 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC001403375478 925074772 /nfs/dbraw/zinc/07/47/72/925074772.db2.gz LGDFIJFBEYOPDH-WISYIIOYSA-N 1 1 318.381 -1.162 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC001403375478 925074780 /nfs/dbraw/zinc/07/47/80/925074780.db2.gz LGDFIJFBEYOPDH-WISYIIOYSA-N 1 1 318.381 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001403388608 925076013 /nfs/dbraw/zinc/07/60/13/925076013.db2.gz YTMGPSDYWHNUBL-DBIOUOCHSA-N 1 1 307.358 -1.898 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001403427702 925077700 /nfs/dbraw/zinc/07/77/00/925077700.db2.gz VDSJMQGDPAPTDF-FIQHERPVSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001403432123 925077957 /nfs/dbraw/zinc/07/79/57/925077957.db2.gz ZRDFZVCYZFNMFR-KKOKHZNYSA-N 1 1 310.398 -1.120 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001403474283 925078126 /nfs/dbraw/zinc/07/81/26/925078126.db2.gz GJMMBCUPLVLUKI-CHWFTXMASA-N 1 1 315.395 -1.787 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498061 925078223 /nfs/dbraw/zinc/07/82/23/925078223.db2.gz SMMUXFJWOUUUJI-NWDGAFQWSA-N 1 1 324.385 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498058 925078397 /nfs/dbraw/zinc/07/83/97/925078397.db2.gz SMMUXFJWOUUUJI-NEPJUHHUSA-N 1 1 324.385 -1.048 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001403492228 925078565 /nfs/dbraw/zinc/07/85/65/925078565.db2.gz HOVBVVMQHZWLRP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001403492228 925078574 /nfs/dbraw/zinc/07/85/74/925078574.db2.gz HOVBVVMQHZWLRP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)CC)[C@@H]2C1 ZINC001403478969 925079103 /nfs/dbraw/zinc/07/91/03/925079103.db2.gz IAKNGPTVQHWZFC-CNDDSTCGSA-N 1 1 310.398 -1.057 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC001403468298 925079174 /nfs/dbraw/zinc/07/91/74/925079174.db2.gz HVYUEEBXNAEWFQ-JTQLQIEISA-N 1 1 322.431 -1.656 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@@H]1CCc2ncnn21 ZINC001403493151 925079403 /nfs/dbraw/zinc/07/94/03/925079403.db2.gz JJDCBIYNRGECHE-JTQLQIEISA-N 1 1 305.346 -1.500 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001403462923 925079516 /nfs/dbraw/zinc/07/95/16/925079516.db2.gz GJRAZTIEAQUGHD-NEPJUHHUSA-N 1 1 300.403 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403508966 925080279 /nfs/dbraw/zinc/08/02/79/925080279.db2.gz KZBOLNURFPHZSC-UHFFFAOYSA-N 1 1 301.347 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001403508966 925080287 /nfs/dbraw/zinc/08/02/87/925080287.db2.gz KZBOLNURFPHZSC-UHFFFAOYSA-N 1 1 301.347 -2.032 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001403515725 925080307 /nfs/dbraw/zinc/08/03/07/925080307.db2.gz PUJPEODUOUCCDU-XYJRDEOASA-N 1 1 322.409 -1.059 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001403509854 925080609 /nfs/dbraw/zinc/08/06/09/925080609.db2.gz NJHAOPUNQCSYGB-DTWKUNHWSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001403509854 925080613 /nfs/dbraw/zinc/08/06/13/925080613.db2.gz NJHAOPUNQCSYGB-DTWKUNHWSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403514571 925080733 /nfs/dbraw/zinc/08/07/33/925080733.db2.gz CQEBYQXDKFYAKR-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403514571 925080742 /nfs/dbraw/zinc/08/07/42/925080742.db2.gz CQEBYQXDKFYAKR-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001403527867 925080985 /nfs/dbraw/zinc/08/09/85/925080985.db2.gz QVHZYXZRUXFZIW-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001403529741 925081598 /nfs/dbraw/zinc/08/15/98/925081598.db2.gz HTLKSSYGARWFIC-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001403529741 925081607 /nfs/dbraw/zinc/08/16/07/925081607.db2.gz HTLKSSYGARWFIC-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001403558419 925083883 /nfs/dbraw/zinc/08/38/83/925083883.db2.gz BMDUWOTVDYNLPY-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001403564599 925084050 /nfs/dbraw/zinc/08/40/50/925084050.db2.gz KOTQADGKIBDDKG-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001403544408 925084835 /nfs/dbraw/zinc/08/48/35/925084835.db2.gz JAMSIJAXMHPQGU-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403568978 925085647 /nfs/dbraw/zinc/08/56/47/925085647.db2.gz UWQQBIWTJPDSQJ-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403568978 925085657 /nfs/dbraw/zinc/08/56/57/925085657.db2.gz UWQQBIWTJPDSQJ-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2n[nH]nc2n1)[C@@H]1CCNC1=O ZINC001403583008 925085763 /nfs/dbraw/zinc/08/57/63/925085763.db2.gz MISAJWVWZRQTMI-SNVBAGLBSA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2n[nH]nc2n1)[C@@H]1CCNC1=O ZINC001403583008 925085775 /nfs/dbraw/zinc/08/57/75/925085775.db2.gz MISAJWVWZRQTMI-SNVBAGLBSA-N 1 1 303.326 -1.097 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001403574471 925085801 /nfs/dbraw/zinc/08/58/01/925085801.db2.gz OXDNOCGXPRDHRT-SNVBAGLBSA-N 1 1 324.389 -1.438 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)ncn1 ZINC001403570847 925086168 /nfs/dbraw/zinc/08/61/68/925086168.db2.gz YTCJQHBCMGCWGH-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)ncn1 ZINC001403570847 925086172 /nfs/dbraw/zinc/08/61/72/925086172.db2.gz YTCJQHBCMGCWGH-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CCn1nc(C)nc1C ZINC001403566984 925086477 /nfs/dbraw/zinc/08/64/77/925086477.db2.gz OQMZAGDTRBECED-UHFFFAOYSA-N 1 1 311.390 -1.128 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001403583035 925086505 /nfs/dbraw/zinc/08/65/05/925086505.db2.gz MXEZQDDXPWMAHR-UHFFFAOYSA-N 1 1 322.369 -1.054 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001403583035 925086511 /nfs/dbraw/zinc/08/65/11/925086511.db2.gz MXEZQDDXPWMAHR-UHFFFAOYSA-N 1 1 322.369 -1.054 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001403571608 925086899 /nfs/dbraw/zinc/08/68/99/925086899.db2.gz RRFPDUCAQFCSNJ-DTWKUNHWSA-N 1 1 312.378 -1.363 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403574436 925087018 /nfs/dbraw/zinc/08/70/18/925087018.db2.gz ZHIANMIHSYKZJM-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001403574436 925087024 /nfs/dbraw/zinc/08/70/24/925087024.db2.gz ZHIANMIHSYKZJM-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)c1=O ZINC001403571449 925087214 /nfs/dbraw/zinc/08/72/14/925087214.db2.gz WYQXFTBVTLYDAS-JTQLQIEISA-N 1 1 323.353 -2.517 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)c1=O ZINC001403571449 925087224 /nfs/dbraw/zinc/08/72/24/925087224.db2.gz WYQXFTBVTLYDAS-JTQLQIEISA-N 1 1 323.353 -2.517 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001403604234 925088492 /nfs/dbraw/zinc/08/84/92/925088492.db2.gz BLLZSUXWYJLSPY-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001403604234 925088505 /nfs/dbraw/zinc/08/85/05/925088505.db2.gz BLLZSUXWYJLSPY-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC001403619767 925088768 /nfs/dbraw/zinc/08/87/68/925088768.db2.gz REHFHAXJGROHJI-SECBINFHSA-N 1 1 309.326 -2.115 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC001403619767 925088779 /nfs/dbraw/zinc/08/87/79/925088779.db2.gz REHFHAXJGROHJI-SECBINFHSA-N 1 1 309.326 -2.115 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CCN1CCNC1=O ZINC001403600620 925089021 /nfs/dbraw/zinc/08/90/21/925089021.db2.gz GHYROMAOGHTLTG-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001403636363 925090101 /nfs/dbraw/zinc/09/01/01/925090101.db2.gz RIRZDUPOMGWBGD-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001403636363 925090111 /nfs/dbraw/zinc/09/01/11/925090111.db2.gz RIRZDUPOMGWBGD-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001403636377 925090709 /nfs/dbraw/zinc/09/07/09/925090709.db2.gz RIRZDUPOMGWBGD-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001403636377 925090720 /nfs/dbraw/zinc/09/07/20/925090720.db2.gz RIRZDUPOMGWBGD-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001403636392 925091332 /nfs/dbraw/zinc/09/13/32/925091332.db2.gz RIRZDUPOMGWBGD-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001403636392 925091344 /nfs/dbraw/zinc/09/13/44/925091344.db2.gz RIRZDUPOMGWBGD-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)[C@@H](C)C(=O)NC(N)=O ZINC001403621626 925091441 /nfs/dbraw/zinc/09/14/41/925091441.db2.gz BFFWMRNANUKVCD-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO COc1cc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)sn1 ZINC001403644541 925093600 /nfs/dbraw/zinc/09/36/00/925093600.db2.gz SZXJJDCONFQADZ-SECBINFHSA-N 1 1 316.383 -1.146 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)o1 ZINC001403643033 925094369 /nfs/dbraw/zinc/09/43/69/925094369.db2.gz GDGJZKSFIVOVJJ-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO COc1cc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)sn1 ZINC001403644543 925094849 /nfs/dbraw/zinc/09/48/49/925094849.db2.gz SZXJJDCONFQADZ-VIFPVBQESA-N 1 1 316.383 -1.146 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403649432 925095079 /nfs/dbraw/zinc/09/50/79/925095079.db2.gz KIVRTEXUZZAXRW-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n(C)n1 ZINC001403652628 925097594 /nfs/dbraw/zinc/09/75/94/925097594.db2.gz RCXAAUVXLAZBCM-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1csnn1 ZINC001403650679 925097841 /nfs/dbraw/zinc/09/78/41/925097841.db2.gz VVBMYPVOMYXIIS-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1csnn1 ZINC001403650679 925097850 /nfs/dbraw/zinc/09/78/50/925097850.db2.gz VVBMYPVOMYXIIS-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001403654012 925097866 /nfs/dbraw/zinc/09/78/66/925097866.db2.gz IYXHKAQNTVDXFI-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)c1N ZINC001403654236 925099848 /nfs/dbraw/zinc/09/98/48/925099848.db2.gz XNKXWBAKGPCNQP-MRVPVSSYSA-N 1 1 308.346 -1.989 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)cn1)[C@H]1COC(=O)N1 ZINC001403656476 925100743 /nfs/dbraw/zinc/10/07/43/925100743.db2.gz CQHRCTUJPUFEAZ-GHMZBOCLSA-N 1 1 312.301 -1.104 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001403654692 925100965 /nfs/dbraw/zinc/10/09/65/925100965.db2.gz IYXHKAQNTVDXFI-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO CC(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403656260 925101225 /nfs/dbraw/zinc/10/12/25/925101225.db2.gz LXAHJMOGJQWYKA-SNVBAGLBSA-N 1 1 300.359 -2.333 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)n1cncn1 ZINC001403659843 925102796 /nfs/dbraw/zinc/10/27/96/925102796.db2.gz OLOVQEMPERUKJK-PWSUYJOCSA-N 1 1 307.358 -1.161 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001403669580 925108131 /nfs/dbraw/zinc/10/81/31/925108131.db2.gz DAUPGYQYVLBNHY-NWDGAFQWSA-N 1 1 322.365 -1.065 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001403668246 925108248 /nfs/dbraw/zinc/10/82/48/925108248.db2.gz LJAWPEWTOVVZCP-QWRGUYRKSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001403669452 925108375 /nfs/dbraw/zinc/10/83/75/925108375.db2.gz MBFPLLJMDQHYGC-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCN2CCNC2=O)NC1=O ZINC001403668181 925109023 /nfs/dbraw/zinc/10/90/23/925109023.db2.gz WSGLQWVSDYFZAK-JTQLQIEISA-N 1 1 312.374 -1.917 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001403672880 925110389 /nfs/dbraw/zinc/11/03/89/925110389.db2.gz QKJSLZCIAJHKAO-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001403674498 925110567 /nfs/dbraw/zinc/11/05/67/925110567.db2.gz PPSRDVRXYKVCSK-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001403674549 925110667 /nfs/dbraw/zinc/11/06/67/925110667.db2.gz PPSRDVRXYKVCSK-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001403670462 925110724 /nfs/dbraw/zinc/11/07/24/925110724.db2.gz KNDCUKOSGXURGF-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001403673069 925111063 /nfs/dbraw/zinc/11/10/63/925111063.db2.gz GIECGBNUYQHTDN-VXGBXAGGSA-N 1 1 310.402 -1.134 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001403672550 925111216 /nfs/dbraw/zinc/11/12/16/925111216.db2.gz PHOBWKJOSYRXJT-NSHDSACASA-N 1 1 321.385 -1.090 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403675795 925112720 /nfs/dbraw/zinc/11/27/20/925112720.db2.gz UFMMBBDNSVEPRJ-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403675795 925112725 /nfs/dbraw/zinc/11/27/25/925112725.db2.gz UFMMBBDNSVEPRJ-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001403678761 925115095 /nfs/dbraw/zinc/11/50/95/925115095.db2.gz KSLNAFPKYPAKFK-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001403689699 925117079 /nfs/dbraw/zinc/11/70/79/925117079.db2.gz FLSJXIVAZZABMQ-RKDXNWHRSA-N 1 1 307.372 -2.494 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)nn1C ZINC001403695287 925118325 /nfs/dbraw/zinc/11/83/25/925118325.db2.gz DYQLZPJWNLARBP-JTQLQIEISA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)nn1C ZINC001403693351 925118491 /nfs/dbraw/zinc/11/84/91/925118491.db2.gz ABYWSSSBWWVSNP-VXGBXAGGSA-N 1 1 324.385 -1.681 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)nn1C ZINC001403696522 925118517 /nfs/dbraw/zinc/11/85/17/925118517.db2.gz ATIJLDQPYMEXLW-LLVKDONJSA-N 1 1 320.353 -1.308 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001403699644 925119858 /nfs/dbraw/zinc/11/98/58/925119858.db2.gz HIDODYJFGYKAHZ-NMKXLXIOSA-N 1 1 322.365 -1.056 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001403699140 925121115 /nfs/dbraw/zinc/12/11/15/925121115.db2.gz JHAUYKZWJCJGNQ-SNVBAGLBSA-N 1 1 312.374 -1.581 20 0 DAADMO CCN1CC[C@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001403705645 925122447 /nfs/dbraw/zinc/12/24/47/925122447.db2.gz UEFMTURIZRYWKY-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001403705428 925122724 /nfs/dbraw/zinc/12/27/24/925122724.db2.gz LBHFATBXVZRMHJ-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001403707963 925124780 /nfs/dbraw/zinc/12/47/80/925124780.db2.gz UXUVKWIZPMEIOH-PWSUYJOCSA-N 1 1 322.369 -1.625 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)[NH+](C)C ZINC001403710344 925125046 /nfs/dbraw/zinc/12/50/46/925125046.db2.gz AJYICNFGTWGHBX-YPMHNXCESA-N 1 1 302.419 -1.273 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001403713426 925126347 /nfs/dbraw/zinc/12/63/47/925126347.db2.gz CVCSSCCMIAXGCI-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001403713426 925126352 /nfs/dbraw/zinc/12/63/52/925126352.db2.gz CVCSSCCMIAXGCI-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001403722077 925128854 /nfs/dbraw/zinc/12/88/54/925128854.db2.gz XUWSCSXPDQNAST-JTQLQIEISA-N 1 1 308.342 -1.207 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)Cc1nnnn1C ZINC001403719020 925129050 /nfs/dbraw/zinc/12/90/50/925129050.db2.gz NXMNVOZUURRFNK-UHFFFAOYSA-N 1 1 311.390 -1.520 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001403722841 925129098 /nfs/dbraw/zinc/12/90/98/925129098.db2.gz YRZPEYSOUBGBEJ-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001403722841 925129104 /nfs/dbraw/zinc/12/91/04/925129104.db2.gz YRZPEYSOUBGBEJ-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723889 925130998 /nfs/dbraw/zinc/13/09/98/925130998.db2.gz JNIKZLCYUBDKOI-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723889 925131003 /nfs/dbraw/zinc/13/10/03/925131003.db2.gz JNIKZLCYUBDKOI-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001403729497 925132205 /nfs/dbraw/zinc/13/22/05/925132205.db2.gz NSVODZODNPUIMG-VIFPVBQESA-N 1 1 311.346 -2.561 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403731931 925133026 /nfs/dbraw/zinc/13/30/26/925133026.db2.gz RCICLEMJHPQSHR-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731931 925133031 /nfs/dbraw/zinc/13/30/31/925133031.db2.gz RCICLEMJHPQSHR-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)nn1 ZINC001403742871 925135030 /nfs/dbraw/zinc/13/50/30/925135030.db2.gz JFMGGUAFRJPNRY-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)[C@@H]1C ZINC001403743496 925135519 /nfs/dbraw/zinc/13/55/19/925135519.db2.gz CPNMQUMRQXNDRE-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001403743621 925136528 /nfs/dbraw/zinc/13/65/28/925136528.db2.gz CZPTVEBTCCGWGX-RKDXNWHRSA-N 1 1 310.362 -1.782 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001403751358 925137117 /nfs/dbraw/zinc/13/71/17/925137117.db2.gz LVPMQAFMUDNWRW-JTQLQIEISA-N 1 1 322.369 -1.662 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)c(=O)n2C)on1 ZINC001403758288 925138260 /nfs/dbraw/zinc/13/82/60/925138260.db2.gz PHLWITLTDAIORR-SNVBAGLBSA-N 1 1 323.353 -1.099 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCNC(N)=O ZINC001403760040 925138812 /nfs/dbraw/zinc/13/88/12/925138812.db2.gz UOEHFZKWVOYVRE-MWLCHTKSSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)n(C)c1=O ZINC001403784648 925139943 /nfs/dbraw/zinc/13/99/43/925139943.db2.gz GSBJFILEQKAPAZ-UHFFFAOYSA-N 1 1 323.397 -1.088 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@H]12 ZINC001403779345 925140733 /nfs/dbraw/zinc/14/07/33/925140733.db2.gz IVQAQIBTBVSHRN-BHDSKKPTSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)[C@@H]1C ZINC001403811903 925142490 /nfs/dbraw/zinc/14/24/90/925142490.db2.gz XUILTSVNGSBPBK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)[C@@H]1C ZINC001403811903 925142495 /nfs/dbraw/zinc/14/24/95/925142495.db2.gz XUILTSVNGSBPBK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(=O)NC ZINC001403795935 925142630 /nfs/dbraw/zinc/14/26/30/925142630.db2.gz BNSKDTOVWLFLAL-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(=O)NC ZINC001403795935 925142634 /nfs/dbraw/zinc/14/26/34/925142634.db2.gz BNSKDTOVWLFLAL-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cccc(C(N)=O)n1 ZINC001403799054 925143758 /nfs/dbraw/zinc/14/37/58/925143758.db2.gz YMOZAMUDHRLJHR-JTQLQIEISA-N 1 1 310.354 -1.151 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001403823410 925144397 /nfs/dbraw/zinc/14/43/97/925144397.db2.gz JDXXVNVWXXJMBB-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnns1 ZINC001403823191 925145601 /nfs/dbraw/zinc/14/56/01/925145601.db2.gz HTCAOMSFLQNLSD-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cccn1)c1nnnn1C ZINC001403823354 925145865 /nfs/dbraw/zinc/14/58/65/925145865.db2.gz UDVLYQDEYJQFMH-GHMZBOCLSA-N 1 1 322.373 -1.423 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001403816575 925145971 /nfs/dbraw/zinc/14/59/71/925145971.db2.gz DFWKNARDZMQORM-VIFPVBQESA-N 1 1 323.357 -1.084 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cccn1)c1nnnn1C ZINC001403823365 925146150 /nfs/dbraw/zinc/14/61/50/925146150.db2.gz UDVLYQDEYJQFMH-QWRGUYRKSA-N 1 1 322.373 -1.423 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001403832714 925147185 /nfs/dbraw/zinc/14/71/85/925147185.db2.gz UZLGWUBGUXNJCL-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001403832677 925147655 /nfs/dbraw/zinc/14/76/55/925147655.db2.gz UZLGWUBGUXNJCL-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CN1CCCC1=O ZINC001403836329 925149211 /nfs/dbraw/zinc/14/92/11/925149211.db2.gz UCSHNWQDABEXTL-LBPRGKRZSA-N 1 1 324.385 -1.654 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403835711 925149576 /nfs/dbraw/zinc/14/95/76/925149576.db2.gz FMOKYAXIOTXQSM-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001403836625 925150449 /nfs/dbraw/zinc/15/04/49/925150449.db2.gz SHIXCLLPHGMQDY-KWQFWETISA-N 1 1 312.374 -1.281 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CS(C)(=O)=O ZINC001403840322 925150853 /nfs/dbraw/zinc/15/08/53/925150853.db2.gz ZDASGAZIPPSROU-VIFPVBQESA-N 1 1 319.387 -2.231 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn(C)n1)[C@@H](C)C(=O)NC(N)=O ZINC001403847094 925151207 /nfs/dbraw/zinc/15/12/07/925151207.db2.gz BKXUGWFHCHZNPA-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@@H](C)C(=O)NC(N)=O ZINC001403847094 925151212 /nfs/dbraw/zinc/15/12/12/925151212.db2.gz BKXUGWFHCHZNPA-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001403848168 925153406 /nfs/dbraw/zinc/15/34/06/925153406.db2.gz FFRNEASESOXJRM-SECBINFHSA-N 1 1 323.361 -1.576 20 0 DAADMO COCC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403850596 925153769 /nfs/dbraw/zinc/15/37/69/925153769.db2.gz NHEURXFAJLOJHA-SNVBAGLBSA-N 1 1 314.390 -1.208 20 0 DAADMO CCN1CC[C@H]([N@@H+](CC)CCNC(=O)CNC(=O)NC)C1=O ZINC001403851582 925153988 /nfs/dbraw/zinc/15/39/88/925153988.db2.gz LPZCFGRNRVSFJA-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001403849493 925154128 /nfs/dbraw/zinc/15/41/28/925154128.db2.gz WVMCCTOYWQNUBM-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001403851518 925154421 /nfs/dbraw/zinc/15/44/21/925154421.db2.gz LEMLHPLHEFNXEH-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1csnn1 ZINC001403855507 925155350 /nfs/dbraw/zinc/15/53/50/925155350.db2.gz CWQMDOAZJAZLQK-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1)c1nncn1C ZINC001403856699 925156291 /nfs/dbraw/zinc/15/62/91/925156291.db2.gz RTKDEBJSBVIZSK-IUCAKERBSA-N 1 1 308.346 -1.283 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001403858329 925156525 /nfs/dbraw/zinc/15/65/25/925156525.db2.gz IFRMZCRJLXODGT-NXEZZACHSA-N 1 1 312.374 -1.765 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2n[nH]nc2C)nn1 ZINC001403857194 925156597 /nfs/dbraw/zinc/15/65/97/925156597.db2.gz HCXVEZFBBKBUIZ-NSHDSACASA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ncccn1 ZINC001403861995 925157580 /nfs/dbraw/zinc/15/75/80/925157580.db2.gz CNZXWVACCCFKCG-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001403868127 925157740 /nfs/dbraw/zinc/15/77/40/925157740.db2.gz DCJLYEMZMFNVBV-SNVBAGLBSA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001403868127 925157744 /nfs/dbraw/zinc/15/77/44/925157744.db2.gz DCJLYEMZMFNVBV-SNVBAGLBSA-N 1 1 300.359 -1.268 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403867699 925157853 /nfs/dbraw/zinc/15/78/53/925157853.db2.gz SZZHEAOLDYUPGK-AXFHLTTASA-N 1 1 324.385 -1.672 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H]1CCN(C)C1=O ZINC001403862337 925158962 /nfs/dbraw/zinc/15/89/62/925158962.db2.gz GHTQMHNYMJIALU-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H]1CCN(C)C1=O ZINC001403862341 925158993 /nfs/dbraw/zinc/15/89/93/925158993.db2.gz GHTQMHNYMJIALU-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccn(C)n1 ZINC001403869521 925159224 /nfs/dbraw/zinc/15/92/24/925159224.db2.gz CMFFTYOAKKYVLT-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)CN1CCCNC1=O ZINC001403873344 925160213 /nfs/dbraw/zinc/16/02/13/925160213.db2.gz XENDNCDAXUOZNO-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)CN1CCCNC1=O ZINC001403873344 925160221 /nfs/dbraw/zinc/16/02/21/925160221.db2.gz XENDNCDAXUOZNO-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403871054 925160261 /nfs/dbraw/zinc/16/02/61/925160261.db2.gz WTLFVZAXSKOWTC-AEJSXWLSSA-N 1 1 310.358 -2.155 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2cnnn2)o1 ZINC001403873969 925160532 /nfs/dbraw/zinc/16/05/32/925160532.db2.gz PWHKNXNSZRPHLZ-NSHDSACASA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001403879471 925161688 /nfs/dbraw/zinc/16/16/88/925161688.db2.gz RWZNCMUOMUAFPD-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403883469 925161922 /nfs/dbraw/zinc/16/19/22/925161922.db2.gz NFQQKOLIKDXAQG-ZJUUUORDSA-N 1 1 310.358 -1.997 20 0 DAADMO CC[N@H+](CCNC(=O)c1coc(OC)n1)CC(=O)NC(N)=O ZINC001403892184 925163933 /nfs/dbraw/zinc/16/39/33/925163933.db2.gz HJCLBIVJJCTJQV-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CC[N@@H+](CCNC(=O)c1coc(OC)n1)CC(=O)NC(N)=O ZINC001403892184 925163947 /nfs/dbraw/zinc/16/39/47/925163947.db2.gz HJCLBIVJJCTJQV-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001403887172 925164186 /nfs/dbraw/zinc/16/41/86/925164186.db2.gz LBACECOWKCLXIO-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001403887172 925164194 /nfs/dbraw/zinc/16/41/94/925164194.db2.gz LBACECOWKCLXIO-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891281 925164398 /nfs/dbraw/zinc/16/43/98/925164398.db2.gz BVBXGMDQQDTCGQ-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001403887875 925164553 /nfs/dbraw/zinc/16/45/53/925164553.db2.gz NVPOFGDLZPGLRM-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001403891731 925164653 /nfs/dbraw/zinc/16/46/53/925164653.db2.gz GRZXAATYYYYOQU-DTWKUNHWSA-N 1 1 304.347 -2.033 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001403891731 925164658 /nfs/dbraw/zinc/16/46/58/925164658.db2.gz GRZXAATYYYYOQU-DTWKUNHWSA-N 1 1 304.347 -2.033 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc[nH]1 ZINC001403887272 925165540 /nfs/dbraw/zinc/16/55/40/925165540.db2.gz XJGIPQIQBQFUTN-VIFPVBQESA-N 1 1 311.342 -1.426 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc[nH]1 ZINC001403887272 925165545 /nfs/dbraw/zinc/16/55/45/925165545.db2.gz XJGIPQIQBQFUTN-VIFPVBQESA-N 1 1 311.342 -1.426 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403897388 925165952 /nfs/dbraw/zinc/16/59/52/925165952.db2.gz DIOWEHQJXLNJDL-AAEUAGOBSA-N 1 1 323.397 -1.100 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001403900131 925166279 /nfs/dbraw/zinc/16/62/79/925166279.db2.gz RELGYEOZZJHDNY-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001403900131 925166287 /nfs/dbraw/zinc/16/62/87/925166287.db2.gz RELGYEOZZJHDNY-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO COc1cccnc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001403900064 925166531 /nfs/dbraw/zinc/16/65/31/925166531.db2.gz BUCYYNGNGLENAL-NSHDSACASA-N 1 1 324.381 -1.131 20 0 DAADMO COc1cccnc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001403900064 925166539 /nfs/dbraw/zinc/16/65/39/925166539.db2.gz BUCYYNGNGLENAL-NSHDSACASA-N 1 1 324.381 -1.131 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403894231 925167206 /nfs/dbraw/zinc/16/72/06/925167206.db2.gz BFNZIJQMNAZDMV-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403894231 925167211 /nfs/dbraw/zinc/16/72/11/925167211.db2.gz BFNZIJQMNAZDMV-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001403897397 925167296 /nfs/dbraw/zinc/16/72/96/925167296.db2.gz DIOWEHQJXLNJDL-DGCLKSJQSA-N 1 1 323.397 -1.100 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001403894525 925167761 /nfs/dbraw/zinc/16/77/61/925167761.db2.gz IBTYVWABHACKIH-MNOVXSKESA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001403894525 925167770 /nfs/dbraw/zinc/16/77/70/925167770.db2.gz IBTYVWABHACKIH-MNOVXSKESA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001403900113 925167781 /nfs/dbraw/zinc/16/77/81/925167781.db2.gz GSHDRZOIMSBDBK-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001403900162 925168153 /nfs/dbraw/zinc/16/81/53/925168153.db2.gz DJHOLDLNAVPEFG-SECBINFHSA-N 1 1 310.358 -1.831 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001403900162 925168159 /nfs/dbraw/zinc/16/81/59/925168159.db2.gz DJHOLDLNAVPEFG-SECBINFHSA-N 1 1 310.358 -1.831 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403899760 925168190 /nfs/dbraw/zinc/16/81/90/925168190.db2.gz CXIDZYTVUCIHDE-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001403899302 925168237 /nfs/dbraw/zinc/16/82/37/925168237.db2.gz HFVDAMMEGURAEI-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001403899546 925168704 /nfs/dbraw/zinc/16/87/04/925168704.db2.gz RLINESJWZYYMRE-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001403900873 925169681 /nfs/dbraw/zinc/16/96/81/925169681.db2.gz HDVXPSWVWDKFAH-STQMWFEESA-N 1 1 315.414 -1.012 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001403903111 925169893 /nfs/dbraw/zinc/16/98/93/925169893.db2.gz IRKZNAMTMKPTPF-DGCLKSJQSA-N 1 1 303.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001403903111 925169899 /nfs/dbraw/zinc/16/98/99/925169899.db2.gz IRKZNAMTMKPTPF-DGCLKSJQSA-N 1 1 303.403 -1.110 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1ncnn1 ZINC001403907981 925170201 /nfs/dbraw/zinc/17/02/01/925170201.db2.gz YCZPRGNTEOVRAG-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001403908831 925170316 /nfs/dbraw/zinc/17/03/16/925170316.db2.gz ZMHGYYBIHMNFTE-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001403908831 925170324 /nfs/dbraw/zinc/17/03/24/925170324.db2.gz ZMHGYYBIHMNFTE-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1cncs1 ZINC001403903688 925170422 /nfs/dbraw/zinc/17/04/22/925170422.db2.gz INUHLCAHARBTNE-VIFPVBQESA-N 1 1 300.384 -1.078 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1cncs1 ZINC001403903688 925170430 /nfs/dbraw/zinc/17/04/30/925170430.db2.gz INUHLCAHARBTNE-VIFPVBQESA-N 1 1 300.384 -1.078 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)n1C ZINC001403908403 925170554 /nfs/dbraw/zinc/17/05/54/925170554.db2.gz DCFAYYTVXOXHRY-SNVBAGLBSA-N 1 1 300.359 -1.919 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001403902940 925170587 /nfs/dbraw/zinc/17/05/87/925170587.db2.gz VBMDHBYYONOBTE-LLVKDONJSA-N 1 1 308.400 -1.572 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001403902940 925170594 /nfs/dbraw/zinc/17/05/94/925170594.db2.gz VBMDHBYYONOBTE-LLVKDONJSA-N 1 1 308.400 -1.572 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001403903112 925170615 /nfs/dbraw/zinc/17/06/15/925170615.db2.gz IRKZNAMTMKPTPF-WCQYABFASA-N 1 1 303.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001403903112 925170626 /nfs/dbraw/zinc/17/06/26/925170626.db2.gz IRKZNAMTMKPTPF-WCQYABFASA-N 1 1 303.403 -1.110 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1nn(C)cc1Cl ZINC001403903858 925171365 /nfs/dbraw/zinc/17/13/65/925171365.db2.gz VXTLPFYXFZZUBU-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1nn(C)cc1Cl ZINC001403903858 925171370 /nfs/dbraw/zinc/17/13/70/925171370.db2.gz VXTLPFYXFZZUBU-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911218 925171502 /nfs/dbraw/zinc/17/15/02/925171502.db2.gz KGZVOIAABUGEFI-QWRGUYRKSA-N 1 1 312.374 -1.836 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911218 925171510 /nfs/dbraw/zinc/17/15/10/925171510.db2.gz KGZVOIAABUGEFI-QWRGUYRKSA-N 1 1 312.374 -1.836 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)CC(N)=O)CC(=O)NC(=O)NC ZINC001403902301 925171531 /nfs/dbraw/zinc/17/15/31/925171531.db2.gz UNRUBVJQRNEBHD-VIFPVBQESA-N 1 1 315.374 -1.608 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)CC(N)=O)CC(=O)NC(=O)NC ZINC001403902301 925171538 /nfs/dbraw/zinc/17/15/38/925171538.db2.gz UNRUBVJQRNEBHD-VIFPVBQESA-N 1 1 315.374 -1.608 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001403914239 925173227 /nfs/dbraw/zinc/17/32/27/925173227.db2.gz KSTOSJHMDPWUEX-JQWIXIFHSA-N 1 1 324.381 -1.074 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923438 925173592 /nfs/dbraw/zinc/17/35/92/925173592.db2.gz ZTXHWBRULYAIIU-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923438 925173594 /nfs/dbraw/zinc/17/35/94/925173594.db2.gz ZTXHWBRULYAIIU-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001403914243 925173707 /nfs/dbraw/zinc/17/37/07/925173707.db2.gz KSTOSJHMDPWUEX-PWSUYJOCSA-N 1 1 324.381 -1.074 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccncn1)CC(=O)NC(=O)NC ZINC001403914327 925173904 /nfs/dbraw/zinc/17/39/04/925173904.db2.gz JRJZEDXWOZTNGT-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccncn1)CC(=O)NC(=O)NC ZINC001403914327 925173908 /nfs/dbraw/zinc/17/39/08/925173908.db2.gz JRJZEDXWOZTNGT-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO COCC[N@H+](CCNC(=O)CNC(C)=O)[C@H]1CCN(C)C1=O ZINC001403949744 925175383 /nfs/dbraw/zinc/17/53/83/925175383.db2.gz BGPWJRDVUBOSIB-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](CCNC(=O)CNC(C)=O)[C@H]1CCN(C)C1=O ZINC001403949744 925175386 /nfs/dbraw/zinc/17/53/86/925175386.db2.gz BGPWJRDVUBOSIB-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+](CCNC(=O)c1nccnc1C(N)=O)[C@H](C)C(=O)NC ZINC001403943386 925175965 /nfs/dbraw/zinc/17/59/65/925175965.db2.gz MGGJCKSORADUJJ-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@H](C)C(=O)NC ZINC001403943386 925175976 /nfs/dbraw/zinc/17/59/76/925175976.db2.gz MGGJCKSORADUJJ-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001403978417 925176213 /nfs/dbraw/zinc/17/62/13/925176213.db2.gz QWQDUQQMWMCCIJ-JTQLQIEISA-N 1 1 309.388 -2.265 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@H](C)C(N)=O ZINC001403929438 925176457 /nfs/dbraw/zinc/17/64/57/925176457.db2.gz MDMZZAXQOVDIEU-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@H](C)C(N)=O ZINC001403929438 925176460 /nfs/dbraw/zinc/17/64/60/925176460.db2.gz MDMZZAXQOVDIEU-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001403971136 925176555 /nfs/dbraw/zinc/17/65/55/925176555.db2.gz QDPMTBALRAPQFD-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002487 925177629 /nfs/dbraw/zinc/17/76/29/925177629.db2.gz QRARXDZKYAMNNV-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002487 925177634 /nfs/dbraw/zinc/17/76/34/925177634.db2.gz QRARXDZKYAMNNV-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001403982101 925177667 /nfs/dbraw/zinc/17/76/67/925177667.db2.gz QCRNCAUELBDWJC-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCn1cncn1 ZINC001403979711 925177679 /nfs/dbraw/zinc/17/76/79/925177679.db2.gz ASFIZGMKXZAZFF-LLVKDONJSA-N 1 1 322.373 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@H+](C)CCn1cncn1 ZINC001403979711 925177683 /nfs/dbraw/zinc/17/76/83/925177683.db2.gz ASFIZGMKXZAZFF-LLVKDONJSA-N 1 1 322.373 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCn1cncn1 ZINC001403979711 925177687 /nfs/dbraw/zinc/17/76/87/925177687.db2.gz ASFIZGMKXZAZFF-LLVKDONJSA-N 1 1 322.373 -1.230 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001403989580 925177749 /nfs/dbraw/zinc/17/77/49/925177749.db2.gz FBCJBFIBWQTOOI-VIFPVBQESA-N 1 1 313.358 -1.764 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001403989580 925177757 /nfs/dbraw/zinc/17/77/57/925177757.db2.gz FBCJBFIBWQTOOI-VIFPVBQESA-N 1 1 313.358 -1.764 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001403993301 925178114 /nfs/dbraw/zinc/17/81/14/925178114.db2.gz XCYOMKCASXQEHH-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1)C1CC1 ZINC001403985814 925178711 /nfs/dbraw/zinc/17/87/11/925178711.db2.gz PFDBSNFLSDRAQA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1)C1CC1 ZINC001403985814 925178716 /nfs/dbraw/zinc/17/87/16/925178716.db2.gz PFDBSNFLSDRAQA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001404035151 925179399 /nfs/dbraw/zinc/17/93/99/925179399.db2.gz DWXUIUQAAIFPJL-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001404035151 925179401 /nfs/dbraw/zinc/17/94/01/925179401.db2.gz DWXUIUQAAIFPJL-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404041312 925179406 /nfs/dbraw/zinc/17/94/06/925179406.db2.gz ZQAYJUUWDPAASI-GHMZBOCLSA-N 1 1 302.375 -1.857 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001404039238 925179410 /nfs/dbraw/zinc/17/94/10/925179410.db2.gz GTKVIRJSTBZUQB-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001404039238 925179411 /nfs/dbraw/zinc/17/94/11/925179411.db2.gz GTKVIRJSTBZUQB-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001404055791 925180132 /nfs/dbraw/zinc/18/01/32/925180132.db2.gz CIERAMOWHPXPOP-MNOVXSKESA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404066399 925180296 /nfs/dbraw/zinc/18/02/96/925180296.db2.gz QNCDVXIJSREISR-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001404016853 925180543 /nfs/dbraw/zinc/18/05/43/925180543.db2.gz HBXFQNHIGRKJBJ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001404016853 925180551 /nfs/dbraw/zinc/18/05/51/925180551.db2.gz HBXFQNHIGRKJBJ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404057222 925180648 /nfs/dbraw/zinc/18/06/48/925180648.db2.gz FLEQZGVZCNNWQY-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001404030297 925180692 /nfs/dbraw/zinc/18/06/92/925180692.db2.gz VCWLOBPJZKMVKE-VHSXEESVSA-N 1 1 300.363 -1.390 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001404063094 925181023 /nfs/dbraw/zinc/18/10/23/925181023.db2.gz CKOKEVNUYTZLHB-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404041340 925181060 /nfs/dbraw/zinc/18/10/60/925181060.db2.gz ZQAYJUUWDPAASI-WDEREUQCSA-N 1 1 302.375 -1.857 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)N2CCCC2)C1 ZINC001404079950 925181472 /nfs/dbraw/zinc/18/14/72/925181472.db2.gz ZJLZRTZSMOMBTH-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)COCc2nncn2C)C1 ZINC001404096977 925181597 /nfs/dbraw/zinc/18/15/97/925181597.db2.gz FGYBUTMCMZGEKD-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404070904 925181667 /nfs/dbraw/zinc/18/16/67/925181667.db2.gz WUJMYJKNACAQHV-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001404077645 925181802 /nfs/dbraw/zinc/18/18/02/925181802.db2.gz JNLRABDXNLBSPO-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001404077645 925181808 /nfs/dbraw/zinc/18/18/08/925181808.db2.gz JNLRABDXNLBSPO-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404090020 925181852 /nfs/dbraw/zinc/18/18/52/925181852.db2.gz UAUHDQGTELKKRV-VIFPVBQESA-N 1 1 306.388 -2.199 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001404083282 925181969 /nfs/dbraw/zinc/18/19/69/925181969.db2.gz MCDGOKZDOXZLRD-NSHDSACASA-N 1 1 308.386 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)COCc2nncn2C)C1 ZINC001404096985 925182565 /nfs/dbraw/zinc/18/25/65/925182565.db2.gz FGYBUTMCMZGEKD-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404081014 925183115 /nfs/dbraw/zinc/18/31/15/925183115.db2.gz LKPMSIXEFUESRU-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404081014 925183122 /nfs/dbraw/zinc/18/31/22/925183122.db2.gz LKPMSIXEFUESRU-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H]1CCN(C)C1=O ZINC001404124130 925183211 /nfs/dbraw/zinc/18/32/11/925183211.db2.gz JNRFNFXQGPYTRL-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@@H](C)O ZINC001404168188 925183846 /nfs/dbraw/zinc/18/38/46/925183846.db2.gz BLVLMQBSRDYNKT-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001404178764 925184648 /nfs/dbraw/zinc/18/46/48/925184648.db2.gz CVKCWAWFWIYYQF-DTWKUNHWSA-N 1 1 323.357 -1.550 20 0 DAADMO O=C(NCC[N@@H+](CCn1cncn1)C1CC1)[C@@H]1COC(=O)N1 ZINC001404231048 925186485 /nfs/dbraw/zinc/18/64/85/925186485.db2.gz UFWZQSWHZAZWNZ-NSHDSACASA-N 1 1 308.342 -1.033 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCN(C)C1=O ZINC001404228387 925186553 /nfs/dbraw/zinc/18/65/53/925186553.db2.gz SBJMWIPJGSXVCA-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCN(C)C1=O ZINC001404228387 925186560 /nfs/dbraw/zinc/18/65/60/925186560.db2.gz SBJMWIPJGSXVCA-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327832 925191336 /nfs/dbraw/zinc/19/13/36/925191336.db2.gz PMXIFXKNRSNBDB-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327832 925191342 /nfs/dbraw/zinc/19/13/42/925191342.db2.gz PMXIFXKNRSNBDB-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CCn1cnnn1 ZINC001404354375 925193611 /nfs/dbraw/zinc/19/36/11/925193611.db2.gz VFBPNKHFIXMFKA-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CCn1cnnn1 ZINC001404354388 925193983 /nfs/dbraw/zinc/19/39/83/925193983.db2.gz VFBPNKHFIXMFKA-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404413772 925194923 /nfs/dbraw/zinc/19/49/23/925194923.db2.gz HVHZDMZZXZSTDC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404413772 925194935 /nfs/dbraw/zinc/19/49/35/925194935.db2.gz HVHZDMZZXZSTDC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001404391887 925195776 /nfs/dbraw/zinc/19/57/76/925195776.db2.gz RGWNXQIGUWVGFL-TXEJJXNPSA-N 1 1 319.427 -1.065 20 0 DAADMO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404452775 925197588 /nfs/dbraw/zinc/19/75/88/925197588.db2.gz IQJWFQXNTCGRBD-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404452775 925197596 /nfs/dbraw/zinc/19/75/96/925197596.db2.gz IQJWFQXNTCGRBD-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001404482741 925198391 /nfs/dbraw/zinc/19/83/91/925198391.db2.gz NRIBPUNVSPAAAS-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001404482740 925198713 /nfs/dbraw/zinc/19/87/13/925198713.db2.gz NRIBPUNVSPAAAS-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001404482737 925199002 /nfs/dbraw/zinc/19/90/02/925199002.db2.gz NRIBPUNVSPAAAS-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001404506887 925201389 /nfs/dbraw/zinc/20/13/89/925201389.db2.gz OIUOBGZZVQWSEE-NEPJUHHUSA-N 1 1 316.402 -1.249 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001404525352 925201938 /nfs/dbraw/zinc/20/19/38/925201938.db2.gz OELASWNCUHZGDF-MNOVXSKESA-N 1 1 322.431 -1.751 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404560718 925203734 /nfs/dbraw/zinc/20/37/34/925203734.db2.gz CUHKASLLTROVBT-RYUDHWBXSA-N 1 1 312.374 -1.539 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001404549714 925204164 /nfs/dbraw/zinc/20/41/64/925204164.db2.gz OZTRLEWPHTZHNR-VHSXEESVSA-N 1 1 318.399 -2.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001404549719 925204667 /nfs/dbraw/zinc/20/46/67/925204667.db2.gz OZTRLEWPHTZHNR-ZJUUUORDSA-N 1 1 318.399 -2.008 20 0 DAADMO CC[C@H](C(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001404536837 925204908 /nfs/dbraw/zinc/20/49/08/925204908.db2.gz BPGVBQMRPIZTDV-SNVBAGLBSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@H](C(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001404536837 925204909 /nfs/dbraw/zinc/20/49/09/925204909.db2.gz BPGVBQMRPIZTDV-SNVBAGLBSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001404540517 925205157 /nfs/dbraw/zinc/20/51/57/925205157.db2.gz MUQNXXCVWNXVIP-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001404540517 925205165 /nfs/dbraw/zinc/20/51/65/925205165.db2.gz MUQNXXCVWNXVIP-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001404617859 925205414 /nfs/dbraw/zinc/20/54/14/925205414.db2.gz QTKDLPVYLHRZLU-UHFFFAOYSA-N 1 1 324.385 -1.460 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001404573530 925205612 /nfs/dbraw/zinc/20/56/12/925205612.db2.gz HWWQSJBTEBTXHS-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001404591301 925206249 /nfs/dbraw/zinc/20/62/49/925206249.db2.gz OQDXJSORYPVLQY-UTUOFQBUSA-N 1 1 310.398 -1.024 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001404578300 925206279 /nfs/dbraw/zinc/20/62/79/925206279.db2.gz PBWMXKWXBCWWLT-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404590252 925206313 /nfs/dbraw/zinc/20/63/13/925206313.db2.gz KOJUZMMZPBWDLY-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001404604629 925207110 /nfs/dbraw/zinc/20/71/10/925207110.db2.gz PWGXLEAVIFWGEH-NSHDSACASA-N 1 1 324.385 -1.196 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404578816 925207164 /nfs/dbraw/zinc/20/71/64/925207164.db2.gz XESOCUNIBYZFDF-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001404604621 925207446 /nfs/dbraw/zinc/20/74/46/925207446.db2.gz PWGXLEAVIFWGEH-LLVKDONJSA-N 1 1 324.385 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001404707580 925209520 /nfs/dbraw/zinc/20/95/20/925209520.db2.gz FNOMQGMZJWSIHI-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001404773266 925213647 /nfs/dbraw/zinc/21/36/47/925213647.db2.gz VWHPTNYPFYTSMM-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CCNS(C)(=O)=O)C1 ZINC001404766405 925214197 /nfs/dbraw/zinc/21/41/97/925214197.db2.gz JSOOPQOETACKTD-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001404769097 925214307 /nfs/dbraw/zinc/21/43/07/925214307.db2.gz JOCCEAXWVLHHJO-MWLCHTKSSA-N 1 1 311.386 -1.417 20 0 DAADMO Cn1ncc(CN2CC(NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001404808858 925217824 /nfs/dbraw/zinc/21/78/24/925217824.db2.gz IMWCNUVIXGCCDF-UHFFFAOYSA-N 1 1 308.386 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001404815315 925217868 /nfs/dbraw/zinc/21/78/68/925217868.db2.gz AUAMDOIMSLEXLE-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CC2CC2)C1 ZINC001404828035 925218555 /nfs/dbraw/zinc/21/85/55/925218555.db2.gz SCFUGLVJLGHQFC-VIFPVBQESA-N 1 1 307.358 -1.612 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001404866531 925220864 /nfs/dbraw/zinc/22/08/64/925220864.db2.gz MZLWGDXEUUFQOA-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)NC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001404860752 925221238 /nfs/dbraw/zinc/22/12/38/925221238.db2.gz AAPLYFMWAKWFHV-ZDUSSCGKSA-N 1 1 312.414 -1.110 20 0 DAADMO CC(C)NC(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001404860752 925221242 /nfs/dbraw/zinc/22/12/42/925221242.db2.gz AAPLYFMWAKWFHV-ZDUSSCGKSA-N 1 1 312.414 -1.110 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CN(C(C)=O)C1 ZINC001404964226 925227483 /nfs/dbraw/zinc/22/74/83/925227483.db2.gz NKOYCHPIYOPLHP-MELADBBJSA-N 1 1 311.382 -1.243 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001404959661 925227534 /nfs/dbraw/zinc/22/75/34/925227534.db2.gz KLTNHOBUOSFGPN-USWWRNFRSA-N 1 1 312.370 -2.095 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404974994 925228828 /nfs/dbraw/zinc/22/88/28/925228828.db2.gz YQERIDSSRWUTBV-NNYUYHANSA-N 1 1 312.370 -1.698 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001404989303 925228985 /nfs/dbraw/zinc/22/89/85/925228985.db2.gz MJKOFYVRCYFMDA-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001404989303 925228992 /nfs/dbraw/zinc/22/89/92/925228992.db2.gz MJKOFYVRCYFMDA-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCNC1=O ZINC001404974470 925229942 /nfs/dbraw/zinc/22/99/42/925229942.db2.gz ROQZRHCJEHIINC-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405009265 925230639 /nfs/dbraw/zinc/23/06/39/925230639.db2.gz ODPKJKKOSVCDDO-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405009265 925230649 /nfs/dbraw/zinc/23/06/49/925230649.db2.gz ODPKJKKOSVCDDO-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001405001147 925231197 /nfs/dbraw/zinc/23/11/97/925231197.db2.gz QCNISRDODZCKOS-AVGNSLFASA-N 1 1 301.387 -1.485 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001405004903 925231374 /nfs/dbraw/zinc/23/13/74/925231374.db2.gz RNNDJFWMGFXEDV-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404995434 925231457 /nfs/dbraw/zinc/23/14/57/925231457.db2.gz NCTWMILWLNGJME-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405054550 925234474 /nfs/dbraw/zinc/23/44/74/925234474.db2.gz NHOIRPXFRWUKKH-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405054550 925234482 /nfs/dbraw/zinc/23/44/82/925234482.db2.gz NHOIRPXFRWUKKH-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001405052619 925234674 /nfs/dbraw/zinc/23/46/74/925234674.db2.gz QHBOTSQJYRAFCO-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001405052619 925234683 /nfs/dbraw/zinc/23/46/83/925234683.db2.gz QHBOTSQJYRAFCO-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405051347 925234876 /nfs/dbraw/zinc/23/48/76/925234876.db2.gz BVRHERLDRNOWGK-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001405044727 925235333 /nfs/dbraw/zinc/23/53/33/925235333.db2.gz DNSWUSLDARYOFQ-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405068018 925236382 /nfs/dbraw/zinc/23/63/82/925236382.db2.gz QUYZXDNJMXZBAA-GFCCVEGCSA-N 1 1 321.381 -1.040 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405068018 925236384 /nfs/dbraw/zinc/23/63/84/925236384.db2.gz QUYZXDNJMXZBAA-GFCCVEGCSA-N 1 1 321.381 -1.040 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001405083797 925237009 /nfs/dbraw/zinc/23/70/09/925237009.db2.gz NPGVJRARTDUVKH-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001405083797 925237018 /nfs/dbraw/zinc/23/70/18/925237018.db2.gz NPGVJRARTDUVKH-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001405066281 925237324 /nfs/dbraw/zinc/23/73/24/925237324.db2.gz QHVNCZIMDRGABT-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001405060220 925237397 /nfs/dbraw/zinc/23/73/97/925237397.db2.gz GMDUGGJNLICHJQ-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405107804 925239372 /nfs/dbraw/zinc/23/93/72/925239372.db2.gz APURUWLOVOAHFE-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405107804 925239381 /nfs/dbraw/zinc/23/93/81/925239381.db2.gz APURUWLOVOAHFE-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001405139748 925240839 /nfs/dbraw/zinc/24/08/39/925240839.db2.gz WWTVAJCDIAILJT-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1)C(N)=O ZINC001405140141 925241104 /nfs/dbraw/zinc/24/11/04/925241104.db2.gz UDJBMCLRGMWQSC-QWRGUYRKSA-N 1 1 302.350 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1)C(N)=O ZINC001405140141 925241110 /nfs/dbraw/zinc/24/11/10/925241110.db2.gz UDJBMCLRGMWQSC-QWRGUYRKSA-N 1 1 302.350 -1.131 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001405124388 925241796 /nfs/dbraw/zinc/24/17/96/925241796.db2.gz KJWDYOPTSKYGQS-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001405124388 925241807 /nfs/dbraw/zinc/24/18/07/925241807.db2.gz KJWDYOPTSKYGQS-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001405174050 925242762 /nfs/dbraw/zinc/24/27/62/925242762.db2.gz JRKJSVOSNSWQJM-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001405174050 925242767 /nfs/dbraw/zinc/24/27/67/925242767.db2.gz JRKJSVOSNSWQJM-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159909 925243517 /nfs/dbraw/zinc/24/35/17/925243517.db2.gz ULJCEYBKXATQOQ-DTWKUNHWSA-N 1 1 323.357 -1.537 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159909 925243523 /nfs/dbraw/zinc/24/35/23/925243523.db2.gz ULJCEYBKXATQOQ-DTWKUNHWSA-N 1 1 323.357 -1.537 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001405153783 925244292 /nfs/dbraw/zinc/24/42/92/925244292.db2.gz WNNBBYSSELMRJK-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001405206083 925250640 /nfs/dbraw/zinc/25/06/40/925250640.db2.gz BCZRERFXHWSAOO-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nnc[nH]1 ZINC001405221603 925254748 /nfs/dbraw/zinc/25/47/48/925254748.db2.gz GQKRHPNDRKNFNU-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221603 925254753 /nfs/dbraw/zinc/25/47/53/925254753.db2.gz GQKRHPNDRKNFNU-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221603 925254759 /nfs/dbraw/zinc/25/47/59/925254759.db2.gz GQKRHPNDRKNFNU-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001405224952 925256058 /nfs/dbraw/zinc/25/60/58/925256058.db2.gz MBSSAJAHUCWIMO-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001405224708 925256081 /nfs/dbraw/zinc/25/60/81/925256081.db2.gz IVBBZMAKVIVHFS-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405222647 925256484 /nfs/dbraw/zinc/25/64/84/925256484.db2.gz ZXDAWKVCZHETLR-QWRGUYRKSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405222647 925256489 /nfs/dbraw/zinc/25/64/89/925256489.db2.gz ZXDAWKVCZHETLR-QWRGUYRKSA-N 1 1 316.358 -2.954 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nnc[nH]1 ZINC001405221625 925256606 /nfs/dbraw/zinc/25/66/06/925256606.db2.gz GQKRHPNDRKNFNU-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221625 925256614 /nfs/dbraw/zinc/25/66/14/925256614.db2.gz GQKRHPNDRKNFNU-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221625 925256622 /nfs/dbraw/zinc/25/66/22/925256622.db2.gz GQKRHPNDRKNFNU-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405224187 925256775 /nfs/dbraw/zinc/25/67/75/925256775.db2.gz LBMXKBYODDUTNK-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001405231951 925259747 /nfs/dbraw/zinc/25/97/47/925259747.db2.gz PDLFLNVUOJELEY-GHMZBOCLSA-N 1 1 323.353 -1.937 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405240705 925265655 /nfs/dbraw/zinc/26/56/55/925265655.db2.gz NGQPHSVHYPRVDH-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405240705 925265662 /nfs/dbraw/zinc/26/56/62/925265662.db2.gz NGQPHSVHYPRVDH-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242774 925266329 /nfs/dbraw/zinc/26/63/29/925266329.db2.gz RCLRSRYQDTVXOO-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242774 925266337 /nfs/dbraw/zinc/26/63/37/925266337.db2.gz RCLRSRYQDTVXOO-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242788 925267203 /nfs/dbraw/zinc/26/72/03/925267203.db2.gz RCLRSRYQDTVXOO-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242788 925267213 /nfs/dbraw/zinc/26/72/13/925267213.db2.gz RCLRSRYQDTVXOO-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001405254480 925270126 /nfs/dbraw/zinc/27/01/26/925270126.db2.gz VYPVBCCKFCJVBV-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1ccnn1 ZINC001405257078 925271557 /nfs/dbraw/zinc/27/15/57/925271557.db2.gz KWYZLYRIDRUDDH-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001405258385 925272212 /nfs/dbraw/zinc/27/22/12/925272212.db2.gz IANNNDNLVGKSOI-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001405265925 925274711 /nfs/dbraw/zinc/27/47/11/925274711.db2.gz RVEZQPGOTSNWEJ-DGCLKSJQSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001405281390 925276665 /nfs/dbraw/zinc/27/66/65/925276665.db2.gz HHUUQFASSUTODP-NEPJUHHUSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001405282071 925277275 /nfs/dbraw/zinc/27/72/75/925277275.db2.gz JTXFXWJESXYALJ-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCn2cncn2)C1 ZINC001405282671 925277988 /nfs/dbraw/zinc/27/79/88/925277988.db2.gz KOJDTOFCEVLSKE-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ccn(C)n1 ZINC001405288367 925278689 /nfs/dbraw/zinc/27/86/89/925278689.db2.gz SGDISLVNUJDPFK-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001405288501 925279192 /nfs/dbraw/zinc/27/91/92/925279192.db2.gz KCANDXNGPYUNKZ-WPRPVWTQSA-N 1 1 322.373 -1.326 20 0 DAADMO Cc1c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nnn1C ZINC001405293315 925279651 /nfs/dbraw/zinc/27/96/51/925279651.db2.gz ZJBJKLZKWRNBLR-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001405300410 925281044 /nfs/dbraw/zinc/28/10/44/925281044.db2.gz DRQNKJPPXFOVMH-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300410 925281051 /nfs/dbraw/zinc/28/10/51/925281051.db2.gz DRQNKJPPXFOVMH-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300410 925281054 /nfs/dbraw/zinc/28/10/54/925281054.db2.gz DRQNKJPPXFOVMH-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001405300420 925281252 /nfs/dbraw/zinc/28/12/52/925281252.db2.gz DRQNKJPPXFOVMH-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300420 925281260 /nfs/dbraw/zinc/28/12/60/925281260.db2.gz DRQNKJPPXFOVMH-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300420 925281264 /nfs/dbraw/zinc/28/12/64/925281264.db2.gz DRQNKJPPXFOVMH-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001405301362 925282943 /nfs/dbraw/zinc/28/29/43/925282943.db2.gz JQCJTIGNPQJCHW-GARJFASQSA-N 1 1 324.385 -1.168 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1)[NH+](C)C ZINC001405303832 925283414 /nfs/dbraw/zinc/28/34/14/925283414.db2.gz IJZGEAIXDCRGIS-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1)[NH+](C)C ZINC001405303832 925283424 /nfs/dbraw/zinc/28/34/24/925283424.db2.gz IJZGEAIXDCRGIS-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405312672 925285898 /nfs/dbraw/zinc/28/58/98/925285898.db2.gz WEVDXPPGBHTEEE-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO CC[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001405322520 925285921 /nfs/dbraw/zinc/28/59/21/925285921.db2.gz JMUZYCCUKOOPRL-SECBINFHSA-N 1 1 318.403 -1.206 20 0 DAADMO CC[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001405322520 925285927 /nfs/dbraw/zinc/28/59/27/925285927.db2.gz JMUZYCCUKOOPRL-SECBINFHSA-N 1 1 318.403 -1.206 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405319132 925287493 /nfs/dbraw/zinc/28/74/93/925287493.db2.gz LVCWDAXNCVIROI-NEPJUHHUSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001405326209 925287803 /nfs/dbraw/zinc/28/78/03/925287803.db2.gz RZWIBVZKXGQHRT-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2ncc[nH]2)C1 ZINC001405325970 925287822 /nfs/dbraw/zinc/28/78/22/925287822.db2.gz CUKLVNVKDPFJTH-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001405323064 925288055 /nfs/dbraw/zinc/28/80/55/925288055.db2.gz SOGAUZRPCURUPM-VIFPVBQESA-N 1 1 308.298 -1.518 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cccn1 ZINC001405329289 925288370 /nfs/dbraw/zinc/28/83/70/925288370.db2.gz OVLGGFJXNNVQCR-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1cn[nH]n1 ZINC001405323361 925288604 /nfs/dbraw/zinc/28/86/04/925288604.db2.gz HAFRNGGAUOHOJQ-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH]nn1 ZINC001405323361 925288614 /nfs/dbraw/zinc/28/86/14/925288614.db2.gz HAFRNGGAUOHOJQ-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1c[nH]nn1 ZINC001405323361 925288623 /nfs/dbraw/zinc/28/86/23/925288623.db2.gz HAFRNGGAUOHOJQ-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001405326203 925288775 /nfs/dbraw/zinc/28/87/75/925288775.db2.gz RZWIBVZKXGQHRT-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnccn1 ZINC001405342532 925291817 /nfs/dbraw/zinc/29/18/17/925291817.db2.gz GCFXPERKPHLOLY-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001405340021 925292188 /nfs/dbraw/zinc/29/21/88/925292188.db2.gz GCCFFNOCJZNSDF-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn(C)n2)C1 ZINC001405351591 925294693 /nfs/dbraw/zinc/29/46/93/925294693.db2.gz OFHGNWIMHLWSHA-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001405362094 925296223 /nfs/dbraw/zinc/29/62/23/925296223.db2.gz XKKRBAAGWFJMIX-MNOVXSKESA-N 1 1 324.385 -1.338 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnon1 ZINC001405363078 925298658 /nfs/dbraw/zinc/29/86/58/925298658.db2.gz YGARRELABQRVIJ-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)CC)[NH2+]Cc1nnnn1C ZINC001405373923 925300083 /nfs/dbraw/zinc/30/00/83/925300083.db2.gz QYPHZTCFESPXNP-SECBINFHSA-N 1 1 318.403 -1.371 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376163 925300808 /nfs/dbraw/zinc/30/08/08/925300808.db2.gz PDJVXRJDCGDGLG-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376163 925300817 /nfs/dbraw/zinc/30/08/17/925300817.db2.gz PDJVXRJDCGDGLG-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001405376357 925301661 /nfs/dbraw/zinc/30/16/61/925301661.db2.gz ZREHUBGDAMPVPH-RKDXNWHRSA-N 1 1 311.346 -2.489 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)Cc1nc[nH]n1)C1CC1 ZINC001405499835 925312740 /nfs/dbraw/zinc/31/27/40/925312740.db2.gz IYEBACCPFOJAPD-CYBMUJFWSA-N 1 1 319.373 -1.055 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccnnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405592971 925318121 /nfs/dbraw/zinc/31/81/21/925318121.db2.gz DOCFHFZAPVJJOB-STQMWFEESA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CNC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405598630 925319432 /nfs/dbraw/zinc/31/94/32/925319432.db2.gz KGBZUXSUPOEPCZ-ZJUUUORDSA-N 1 1 315.374 -2.458 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnon1 ZINC001405596664 925320524 /nfs/dbraw/zinc/32/05/24/925320524.db2.gz HPNVPBOGQWUYIG-JTQLQIEISA-N 1 1 322.325 -1.176 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405596857 925320737 /nfs/dbraw/zinc/32/07/37/925320737.db2.gz HWPGKERCZKYPLE-QWRGUYRKSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ccnc1 ZINC001405609165 925322482 /nfs/dbraw/zinc/32/24/82/925322482.db2.gz LIEDPHARIGBKAJ-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001405615986 925322934 /nfs/dbraw/zinc/32/29/34/925322934.db2.gz SWLUZNXPLYLJDH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001405662620 925328835 /nfs/dbraw/zinc/32/88/35/925328835.db2.gz FRFQXOUEXOXSPS-ZJUUUORDSA-N 1 1 309.374 -1.422 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cncn1 ZINC001405673637 925329424 /nfs/dbraw/zinc/32/94/24/925329424.db2.gz VQISGCQBVFKDCX-RYUDHWBXSA-N 1 1 324.385 -1.835 20 0 DAADMO C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1nnn(C)n1 ZINC001405719918 925333004 /nfs/dbraw/zinc/33/30/04/925333004.db2.gz QGKNXSKRQARNLB-JTQLQIEISA-N 1 1 321.389 -1.187 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1ccn[nH]1)C(=O)NC(N)=O ZINC001405796177 925334985 /nfs/dbraw/zinc/33/49/85/925334985.db2.gz KWKGBUQFZDUWQE-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1ccn[nH]1 ZINC001405796184 925335672 /nfs/dbraw/zinc/33/56/72/925335672.db2.gz KWKGBUQFZDUWQE-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001405846231 925337687 /nfs/dbraw/zinc/33/76/87/925337687.db2.gz IYPMGILNLLXBHX-QMMMGPOBSA-N 1 1 320.375 -1.940 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001405865064 925339257 /nfs/dbraw/zinc/33/92/57/925339257.db2.gz FJPBVTKYSWNNHJ-IUCAKERBSA-N 1 1 323.357 -1.650 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001405874865 925339915 /nfs/dbraw/zinc/33/99/15/925339915.db2.gz SIRBJJPKOADIIW-NXEZZACHSA-N 1 1 309.374 -1.084 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001406018318 925341307 /nfs/dbraw/zinc/34/13/07/925341307.db2.gz JXDMPMREOZMZDI-IUCAKERBSA-N 1 1 312.378 -1.503 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001406047295 925343258 /nfs/dbraw/zinc/34/32/58/925343258.db2.gz UXHKYRCMTRRWPD-GHMZBOCLSA-N 1 1 323.401 -1.033 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001406047296 925344012 /nfs/dbraw/zinc/34/40/12/925344012.db2.gz UXHKYRCMTRRWPD-MNOVXSKESA-N 1 1 323.401 -1.033 20 0 DAADMO COc1cnc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC001406114617 925344734 /nfs/dbraw/zinc/34/47/34/925344734.db2.gz MJGOYGZOWDLFHC-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO COc1cnc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC001406114617 925344743 /nfs/dbraw/zinc/34/47/43/925344743.db2.gz MJGOYGZOWDLFHC-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO Cc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406099694 925344762 /nfs/dbraw/zinc/34/47/62/925344762.db2.gz PPEVKFXRTVDOEO-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406099694 925344771 /nfs/dbraw/zinc/34/47/71/925344771.db2.gz PPEVKFXRTVDOEO-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CN(CC[N@H+](C)Cc1cnn(C)c1)C(=O)Cn1ncn(C)c1=O ZINC001406109957 925344846 /nfs/dbraw/zinc/34/48/46/925344846.db2.gz GEUCZGAXGNITOM-UHFFFAOYSA-N 1 1 321.385 -1.094 20 0 DAADMO CN(CC[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1ncn(C)c1=O ZINC001406109957 925344855 /nfs/dbraw/zinc/34/48/55/925344855.db2.gz GEUCZGAXGNITOM-UHFFFAOYSA-N 1 1 321.385 -1.094 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001406111379 925346058 /nfs/dbraw/zinc/34/60/58/925346058.db2.gz DJIHIEFPEQFAKL-LLVKDONJSA-N 1 1 313.402 -1.976 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001406111379 925346065 /nfs/dbraw/zinc/34/60/65/925346065.db2.gz DJIHIEFPEQFAKL-LLVKDONJSA-N 1 1 313.402 -1.976 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406111907 925346714 /nfs/dbraw/zinc/34/67/14/925346714.db2.gz JMBUJAYQUPOTPT-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406111907 925346726 /nfs/dbraw/zinc/34/67/26/925346726.db2.gz JMBUJAYQUPOTPT-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001406178875 925347013 /nfs/dbraw/zinc/34/70/13/925347013.db2.gz XZFXXJACIDYMQE-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001406178875 925347025 /nfs/dbraw/zinc/34/70/25/925347025.db2.gz XZFXXJACIDYMQE-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cnccn1 ZINC001406151704 925347207 /nfs/dbraw/zinc/34/72/07/925347207.db2.gz ZGXCTEDMAYVPJX-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cnccn1 ZINC001406151704 925347219 /nfs/dbraw/zinc/34/72/19/925347219.db2.gz ZGXCTEDMAYVPJX-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)on1 ZINC001406180818 925347239 /nfs/dbraw/zinc/34/72/39/925347239.db2.gz HVKAJSAFQHCAOK-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001406173888 925347345 /nfs/dbraw/zinc/34/73/45/925347345.db2.gz PRFDJNHZQRFSBV-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001406129382 925347454 /nfs/dbraw/zinc/34/74/54/925347454.db2.gz WWLWQIUYAGOSGZ-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001406129382 925347466 /nfs/dbraw/zinc/34/74/66/925347466.db2.gz WWLWQIUYAGOSGZ-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CCO ZINC001406157991 925348470 /nfs/dbraw/zinc/34/84/70/925348470.db2.gz JBCIRMYTLTWOAK-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CC1CC1 ZINC001406160990 925349037 /nfs/dbraw/zinc/34/90/37/925349037.db2.gz UKHMAIVZYLQTKD-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001406133580 925349052 /nfs/dbraw/zinc/34/90/52/925349052.db2.gz UYRBDZKVROEYFF-JTQLQIEISA-N 1 1 312.374 -1.917 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001406175020 925349222 /nfs/dbraw/zinc/34/92/22/925349222.db2.gz DQCOIZZLKJPKDE-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001406184703 925350658 /nfs/dbraw/zinc/35/06/58/925350658.db2.gz CVTFPRVLLZOMJQ-JQWIXIFHSA-N 1 1 309.370 -1.124 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1cncn1 ZINC001406182613 925351092 /nfs/dbraw/zinc/35/10/92/925351092.db2.gz DTMXVZQJAYXBSO-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001406184697 925351550 /nfs/dbraw/zinc/35/15/50/925351550.db2.gz CVTFPRVLLZOMJQ-CMPLNLGQSA-N 1 1 309.370 -1.124 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001406206345 925354686 /nfs/dbraw/zinc/35/46/86/925354686.db2.gz JHFPRNHVBOTTKY-VIFPVBQESA-N 1 1 322.373 -1.506 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)nn1 ZINC001406203359 925355165 /nfs/dbraw/zinc/35/51/65/925355165.db2.gz CKYFEPYMWQJSPH-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001406210188 925356829 /nfs/dbraw/zinc/35/68/29/925356829.db2.gz JENRUXGMHTTYGL-SNVBAGLBSA-N 1 1 315.399 -1.563 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cncc(F)c1 ZINC001406211362 925357126 /nfs/dbraw/zinc/35/71/26/925357126.db2.gz LXDUEKNIDZEQIJ-JTQLQIEISA-N 1 1 309.305 -1.375 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001406214642 925357257 /nfs/dbraw/zinc/35/72/57/925357257.db2.gz PRLOCASMMHRMQN-UWVGGRQHSA-N 1 1 312.326 -1.102 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n(C)n1 ZINC001406209622 925357786 /nfs/dbraw/zinc/35/77/86/925357786.db2.gz KKPJBLMZUXIURS-UWVGGRQHSA-N 1 1 322.373 -1.306 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)on1 ZINC001406210226 925358074 /nfs/dbraw/zinc/35/80/74/925358074.db2.gz JEUPPXFZBOXKNN-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1CCC(O)CC1 ZINC001406216988 925358708 /nfs/dbraw/zinc/35/87/08/925358708.db2.gz NPESWZRHZNIDKX-VQXHTEKXSA-N 1 1 312.374 -1.672 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1CCC(O)CC1 ZINC001406216983 925358860 /nfs/dbraw/zinc/35/88/60/925358860.db2.gz NPESWZRHZNIDKX-ILDUYXDCSA-N 1 1 312.374 -1.672 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001406219870 925359494 /nfs/dbraw/zinc/35/94/94/925359494.db2.gz VCFUSXNNENIAAY-ZJUUUORDSA-N 1 1 310.358 -1.917 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001406216446 925359921 /nfs/dbraw/zinc/35/99/21/925359921.db2.gz PBEGNJIZEUFRCA-SNVBAGLBSA-N 1 1 313.362 -2.891 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cncnc1)c1nnnn1C ZINC001406217414 925360198 /nfs/dbraw/zinc/36/01/98/925360198.db2.gz PIXGLWLQBVGSRJ-PSASIEDQSA-N 1 1 306.330 -1.558 20 0 DAADMO Cc1ocnc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406221582 925360883 /nfs/dbraw/zinc/36/08/83/925360883.db2.gz TVFQEVMZPFTRRQ-VXNVDRBHSA-N 1 1 309.330 -1.052 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001406222344 925360957 /nfs/dbraw/zinc/36/09/57/925360957.db2.gz OCWANOCOSZEASP-QWRGUYRKSA-N 1 1 324.385 -1.077 20 0 DAADMO Cc1noc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001406223373 925361252 /nfs/dbraw/zinc/36/12/52/925361252.db2.gz YNHZGFRDDGIARO-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001406223373 925361261 /nfs/dbraw/zinc/36/12/61/925361261.db2.gz YNHZGFRDDGIARO-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1)c1nnnn1C ZINC001406224264 925361461 /nfs/dbraw/zinc/36/14/61/925361461.db2.gz WQLODPKMDSCCTA-GXSJLCMTSA-N 1 1 322.373 -1.686 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)C)n[nH]1 ZINC001406224509 925361567 /nfs/dbraw/zinc/36/15/67/925361567.db2.gz TUCFQCRNRAGEIZ-SNVBAGLBSA-N 1 1 312.374 -1.753 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406223901 925361609 /nfs/dbraw/zinc/36/16/09/925361609.db2.gz QOOKVBINPNUOLH-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001406222967 925361663 /nfs/dbraw/zinc/36/16/63/925361663.db2.gz PCFRRLCCFSBLEG-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001406227410 925363518 /nfs/dbraw/zinc/36/35/18/925363518.db2.gz UFCZAMUMBXLOOC-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1O)NCC1CC1 ZINC001406226011 925364615 /nfs/dbraw/zinc/36/46/15/925364615.db2.gz YECSDLJQVUURIU-LLVKDONJSA-N 1 1 322.365 -1.006 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncccc1O)NCC1CC1 ZINC001406226022 925364849 /nfs/dbraw/zinc/36/48/49/925364849.db2.gz YECSDLJQVUURIU-NSHDSACASA-N 1 1 322.365 -1.006 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+][C@H](C)c2nncn2C)[nH]1 ZINC001406228651 925365249 /nfs/dbraw/zinc/36/52/49/925365249.db2.gz YVKIWRDYYZELEK-PSASIEDQSA-N 1 1 322.373 -1.388 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)cc1=O ZINC001406231383 925365637 /nfs/dbraw/zinc/36/56/37/925365637.db2.gz AMJMSXVXDGIUSM-JTQLQIEISA-N 1 1 318.337 -1.549 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cnc[nH]1)C(=O)N(C)C ZINC001406229463 925365724 /nfs/dbraw/zinc/36/57/24/925365724.db2.gz BJYVTRPYKYIIPT-CMPLNLGQSA-N 1 1 311.386 -1.114 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001406235687 925367334 /nfs/dbraw/zinc/36/73/34/925367334.db2.gz CQWOFGDDRAKEFT-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406235473 925367534 /nfs/dbraw/zinc/36/75/34/925367534.db2.gz PGUQPLOFKVUNMR-KOLCDFICSA-N 1 1 312.374 -1.704 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406239787 925369246 /nfs/dbraw/zinc/36/92/46/925369246.db2.gz NJRTYIVQSCGSPM-SNVBAGLBSA-N 1 1 312.330 -1.948 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001406242106 925371312 /nfs/dbraw/zinc/37/13/12/925371312.db2.gz LOIURUHXLKTCIY-LLVKDONJSA-N 1 1 307.310 -1.351 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)n1 ZINC001406245414 925372495 /nfs/dbraw/zinc/37/24/95/925372495.db2.gz PSNPBAGJZBBEQC-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406244951 925372763 /nfs/dbraw/zinc/37/27/63/925372763.db2.gz NJZFWTMBRVCQOQ-FOGDFJRCSA-N 1 1 312.374 -1.408 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001406249159 925375230 /nfs/dbraw/zinc/37/52/30/925375230.db2.gz SYXQBPCRIROTON-SCZZXKLOSA-N 1 1 319.387 -2.185 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)nn1 ZINC001406253018 925377323 /nfs/dbraw/zinc/37/73/23/925377323.db2.gz ZDBSTVVQXGUSKU-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406255553 925378923 /nfs/dbraw/zinc/37/89/23/925378923.db2.gz CIRGRQZSLDCSHO-SNVBAGLBSA-N 1 1 321.341 -1.500 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cnco1 ZINC001406254105 925378949 /nfs/dbraw/zinc/37/89/49/925378949.db2.gz RXPKITGPGGTCPC-VIFPVBQESA-N 1 1 322.325 -1.323 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)[nH]1 ZINC001406253635 925379061 /nfs/dbraw/zinc/37/90/61/925379061.db2.gz ZVEMGGNGRXRZFQ-YGRLFVJLSA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cnco1 ZINC001406254101 925379531 /nfs/dbraw/zinc/37/95/31/925379531.db2.gz RXPKITGPGGTCPC-SECBINFHSA-N 1 1 322.325 -1.323 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)[nH]1 ZINC001406253630 925379762 /nfs/dbraw/zinc/37/97/62/925379762.db2.gz ZVEMGGNGRXRZFQ-QMTHXVAHSA-N 1 1 324.385 -1.404 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406255059 925379976 /nfs/dbraw/zinc/37/99/76/925379976.db2.gz NVXSZXFFXJISFZ-NXEZZACHSA-N 1 1 322.373 -1.306 20 0 DAADMO COc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)co1 ZINC001406258025 925382113 /nfs/dbraw/zinc/38/21/13/925382113.db2.gz WSZZSOOYKRAZPC-MRVPVSSYSA-N 1 1 310.314 -1.010 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001406258586 925382404 /nfs/dbraw/zinc/38/24/04/925382404.db2.gz ZBRMBZVXJDMKDR-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406258094 925382535 /nfs/dbraw/zinc/38/25/35/925382535.db2.gz XMWHRYDKJMTZKD-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001406259975 925382969 /nfs/dbraw/zinc/38/29/69/925382969.db2.gz VPPMQMDYXXOEBH-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406260427 925383884 /nfs/dbraw/zinc/38/38/84/925383884.db2.gz WSFIOTKHHHUHIO-VXGBXAGGSA-N 1 1 313.358 -1.643 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)NCC1CCC1 ZINC001406260557 925383973 /nfs/dbraw/zinc/38/39/73/925383973.db2.gz XFEXPAXHCZJPDE-JTQLQIEISA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001406260678 925384175 /nfs/dbraw/zinc/38/41/75/925384175.db2.gz XEMBGUKBRMONLS-SSLNLQFTSA-N 1 1 321.381 -1.195 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406263030 925384289 /nfs/dbraw/zinc/38/42/89/925384289.db2.gz RNIQMGCVZUTRNH-NEPJUHHUSA-N 1 1 312.374 -1.704 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406263037 925384374 /nfs/dbraw/zinc/38/43/74/925384374.db2.gz RNIQMGCVZUTRNH-RYUDHWBXSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cccn(C)c2=O)n1 ZINC001406270717 925387731 /nfs/dbraw/zinc/38/77/31/925387731.db2.gz AVEMVXFGGCFJQC-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2ncccn2)n1 ZINC001406269075 925388412 /nfs/dbraw/zinc/38/84/12/925388412.db2.gz FDKFZGZTFYSCKC-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2ncccn2)n1 ZINC001406269076 925388481 /nfs/dbraw/zinc/38/84/81/925388481.db2.gz FDKFZGZTFYSCKC-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001406274721 925389592 /nfs/dbraw/zinc/38/95/92/925389592.db2.gz DXJXGGCQQOATIL-NSHDSACASA-N 1 1 322.373 -1.214 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)n1 ZINC001406273568 925390466 /nfs/dbraw/zinc/39/04/66/925390466.db2.gz GZVSLPYMVOLEPB-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001406280624 925391392 /nfs/dbraw/zinc/39/13/92/925391392.db2.gz IDNCBDDYJBRBSE-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O)[NH+](C)C ZINC001406279975 925391697 /nfs/dbraw/zinc/39/16/97/925391697.db2.gz UXMCNVWMKHODPK-FRRDWIJNSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001406280612 925392084 /nfs/dbraw/zinc/39/20/84/925392084.db2.gz IDNCBDDYJBRBSE-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001406279168 925393274 /nfs/dbraw/zinc/39/32/74/925393274.db2.gz LJDPDXOXWBEZDI-SNVBAGLBSA-N 1 1 320.371 -1.867 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001406288423 925393901 /nfs/dbraw/zinc/39/39/01/925393901.db2.gz MMXBHBNFOXOQAE-JTQLQIEISA-N 1 1 318.399 -1.579 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1)c1nncn1C ZINC001406287648 925394264 /nfs/dbraw/zinc/39/42/64/925394264.db2.gz XQZFYLKKNKDFQX-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001406284426 925394552 /nfs/dbraw/zinc/39/45/52/925394552.db2.gz UJYKZSRMOFGJON-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001406284426 925394559 /nfs/dbraw/zinc/39/45/59/925394559.db2.gz UJYKZSRMOFGJON-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO COc1c(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001406285202 925394715 /nfs/dbraw/zinc/39/47/15/925394715.db2.gz PVEYDOWDDYQHLQ-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406287062 925394844 /nfs/dbraw/zinc/39/48/44/925394844.db2.gz MAEODIRODMLDCR-GWCFXTLKSA-N 1 1 321.385 -1.016 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406286626 925395101 /nfs/dbraw/zinc/39/51/01/925395101.db2.gz RJYIUIVKPUEGMK-MNOVXSKESA-N 1 1 311.342 -1.353 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1)c1nncn1C ZINC001406287674 925395239 /nfs/dbraw/zinc/39/52/39/925395239.db2.gz XQZFYLKKNKDFQX-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCN2CCCC2=O)[nH]1 ZINC001406288572 925395299 /nfs/dbraw/zinc/39/52/99/925395299.db2.gz MUYNHUJYWBQQIO-LLVKDONJSA-N 1 1 324.385 -1.308 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001406291174 925396571 /nfs/dbraw/zinc/39/65/71/925396571.db2.gz PWJCOHLBLFZUIG-SNVBAGLBSA-N 1 1 308.346 -1.775 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406293077 925396813 /nfs/dbraw/zinc/39/68/13/925396813.db2.gz YTAAPLXZODZYJC-SNVBAGLBSA-N 1 1 308.346 -2.247 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406290651 925397041 /nfs/dbraw/zinc/39/70/41/925397041.db2.gz VFFQKNAPBKVWER-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001406288908 925397448 /nfs/dbraw/zinc/39/74/48/925397448.db2.gz OKLAXEDZEJUNOA-VXGBXAGGSA-N 1 1 324.385 -1.542 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001406290825 925397690 /nfs/dbraw/zinc/39/76/90/925397690.db2.gz TYEXUZJNFPAMGR-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001406295755 925398429 /nfs/dbraw/zinc/39/84/29/925398429.db2.gz WOCMOXXLMAEKDK-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001406293992 925398733 /nfs/dbraw/zinc/39/87/33/925398733.db2.gz SBKBOMXPGJJUCA-ONGXEEELSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC001406322794 925403146 /nfs/dbraw/zinc/40/31/46/925403146.db2.gz RUUNYVLNWVHQAN-ZWNOBZJWSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001406374686 925406504 /nfs/dbraw/zinc/40/65/04/925406504.db2.gz RBZKCYJYBOTWJV-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cnn[nH]1 ZINC001406377323 925408255 /nfs/dbraw/zinc/40/82/55/925408255.db2.gz RYPQNXZHQJKIQF-BDAKNGLRSA-N 1 1 301.372 -1.053 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001406386492 925409279 /nfs/dbraw/zinc/40/92/79/925409279.db2.gz WUPPGLLBWCSJBC-MNOVXSKESA-N 1 1 324.385 -1.543 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001406385409 925409451 /nfs/dbraw/zinc/40/94/51/925409451.db2.gz TWFUDNFNCSIKFH-NEPJUHHUSA-N 1 1 323.353 -1.984 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC001406397230 925412536 /nfs/dbraw/zinc/41/25/36/925412536.db2.gz KFFAKOSPHQAGFN-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406397252 925413525 /nfs/dbraw/zinc/41/35/25/925413525.db2.gz ANAZBJBJOYRAEP-BBBLOLIVSA-N 1 1 309.374 -1.201 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001406420019 925414527 /nfs/dbraw/zinc/41/45/27/925414527.db2.gz KGFQQGCSFWQWCH-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001406419803 925414542 /nfs/dbraw/zinc/41/45/42/925414542.db2.gz GCZVDAVLEONIHS-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC001406410750 925415173 /nfs/dbraw/zinc/41/51/73/925415173.db2.gz HPRJIILPWHDUSI-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCCC1=O)c1nnnn1C ZINC001406449786 925416544 /nfs/dbraw/zinc/41/65/44/925416544.db2.gz OPOVYOYOHMYVJW-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001406470966 925416824 /nfs/dbraw/zinc/41/68/24/925416824.db2.gz FOHOGBOSILVQGF-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001406468580 925416988 /nfs/dbraw/zinc/41/69/88/925416988.db2.gz RIQGOUKWXHQRGR-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cnnn1C ZINC001406466347 925417127 /nfs/dbraw/zinc/41/71/27/925417127.db2.gz HWOGIIGLEXBUMG-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1cnn[nH]1 ZINC001406493420 925417940 /nfs/dbraw/zinc/41/79/40/925417940.db2.gz DQSYWLKIDCIGBD-QMMMGPOBSA-N 1 1 304.314 -1.059 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCOCC1=O ZINC001406480306 925418519 /nfs/dbraw/zinc/41/85/19/925418519.db2.gz JWZFEUAXLZQWQA-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cc(=O)n(C)cn1 ZINC001406493285 925418610 /nfs/dbraw/zinc/41/86/10/925418610.db2.gz LGRGTNPBCZGBHA-IUCAKERBSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)Cn1ncnn1 ZINC001406479315 925418918 /nfs/dbraw/zinc/41/89/18/925418918.db2.gz FGJSITSJEIRPOE-QMMMGPOBSA-N 1 1 305.346 -1.037 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406497257 925418930 /nfs/dbraw/zinc/41/89/30/925418930.db2.gz XOSQKANUPBKQLX-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](C)NC(=O)Cn2ncn(C)c2=O)nc1 ZINC001406486791 925419159 /nfs/dbraw/zinc/41/91/59/925419159.db2.gz FMILFAMWKFZZOC-NSHDSACASA-N 1 1 319.369 -1.025 20 0 DAADMO CO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001406517133 925420651 /nfs/dbraw/zinc/42/06/51/925420651.db2.gz LOGNOIRBXIUMKY-CABZTGNLSA-N 1 1 322.373 -1.074 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001406522132 925420982 /nfs/dbraw/zinc/42/09/82/925420982.db2.gz XTTOBTICOMRZTA-VIFPVBQESA-N 1 1 310.362 -2.764 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CS(=O)(=O)N(C)C ZINC001406566634 925421627 /nfs/dbraw/zinc/42/16/27/925421627.db2.gz ULDDBHWKCAKTEL-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)s1 ZINC001406564158 925422020 /nfs/dbraw/zinc/42/20/20/925422020.db2.gz ZLYKYVZHDHOJSI-ZETCQYMHSA-N 1 1 321.428 -1.010 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001406576520 925422216 /nfs/dbraw/zinc/42/22/16/925422216.db2.gz BEQSIBJBVOPOPA-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001406576520 925422221 /nfs/dbraw/zinc/42/22/21/925422221.db2.gz BEQSIBJBVOPOPA-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001406568664 925423109 /nfs/dbraw/zinc/42/31/09/925423109.db2.gz FCXIWBBGBQEEMG-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001406616458 925423815 /nfs/dbraw/zinc/42/38/15/925423815.db2.gz QEAIINXDMQHYGE-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001406616458 925423821 /nfs/dbraw/zinc/42/38/21/925423821.db2.gz QEAIINXDMQHYGE-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001406616443 925423857 /nfs/dbraw/zinc/42/38/57/925423857.db2.gz STUMFESILQYDJA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001406616443 925423863 /nfs/dbraw/zinc/42/38/63/925423863.db2.gz STUMFESILQYDJA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1cnnn1C ZINC001406617444 925424238 /nfs/dbraw/zinc/42/42/38/925424238.db2.gz OGTAIKDOMIVFCT-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001406605058 925424299 /nfs/dbraw/zinc/42/42/99/925424299.db2.gz HWKOZNFDGZUPLT-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617887 925424362 /nfs/dbraw/zinc/42/43/62/925424362.db2.gz SBWCQNLBYKUQCF-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617887 925424366 /nfs/dbraw/zinc/42/43/66/925424366.db2.gz SBWCQNLBYKUQCF-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCC1CC1 ZINC001406607679 925424787 /nfs/dbraw/zinc/42/47/87/925424787.db2.gz LPSIBDLNXSXMHV-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCC1CC1 ZINC001406607679 925424794 /nfs/dbraw/zinc/42/47/94/925424794.db2.gz LPSIBDLNXSXMHV-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001406605095 925424890 /nfs/dbraw/zinc/42/48/90/925424890.db2.gz HWKOZNFDGZUPLT-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001406634878 925425838 /nfs/dbraw/zinc/42/58/38/925425838.db2.gz YYVBMMFXBLMPRV-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001406634878 925425842 /nfs/dbraw/zinc/42/58/42/925425842.db2.gz YYVBMMFXBLMPRV-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001406646502 925426061 /nfs/dbraw/zinc/42/60/61/925426061.db2.gz LOJSGUYDDJBDAQ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653102 925426084 /nfs/dbraw/zinc/42/60/84/925426084.db2.gz OFIKEGMQBZKWFA-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653102 925426091 /nfs/dbraw/zinc/42/60/91/925426091.db2.gz OFIKEGMQBZKWFA-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001406633543 925426199 /nfs/dbraw/zinc/42/61/99/925426199.db2.gz JVCNBGNSJDUVDV-UWVGGRQHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406633398 925426479 /nfs/dbraw/zinc/42/64/79/925426479.db2.gz CBQBGVRZKIRRPC-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406653829 925426599 /nfs/dbraw/zinc/42/65/99/925426599.db2.gz PLXCHTGTJBLGED-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406653829 925426604 /nfs/dbraw/zinc/42/66/04/925426604.db2.gz PLXCHTGTJBLGED-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001406639739 925426739 /nfs/dbraw/zinc/42/67/39/925426739.db2.gz UIWARBNIMPYAJN-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001406639739 925426745 /nfs/dbraw/zinc/42/67/45/925426745.db2.gz UIWARBNIMPYAJN-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1c[nH]cn1 ZINC001406666460 925427294 /nfs/dbraw/zinc/42/72/94/925427294.db2.gz KAXQPNLCUHMGDT-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1c[nH]cn1 ZINC001406666460 925427303 /nfs/dbraw/zinc/42/73/03/925427303.db2.gz KAXQPNLCUHMGDT-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406706524 925427961 /nfs/dbraw/zinc/42/79/61/925427961.db2.gz YZHWTWZZOUTUOY-MRVPVSSYSA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406706524 925427970 /nfs/dbraw/zinc/42/79/70/925427970.db2.gz YZHWTWZZOUTUOY-MRVPVSSYSA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cc1nc[nH]n1 ZINC001406691374 925428619 /nfs/dbraw/zinc/42/86/19/925428619.db2.gz SEWLTUXNKYQZBQ-SNVBAGLBSA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001406691374 925428625 /nfs/dbraw/zinc/42/86/25/925428625.db2.gz SEWLTUXNKYQZBQ-SNVBAGLBSA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001406691374 925428628 /nfs/dbraw/zinc/42/86/28/925428628.db2.gz SEWLTUXNKYQZBQ-SNVBAGLBSA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406681932 925428879 /nfs/dbraw/zinc/42/88/79/925428879.db2.gz UVCDXMLNAWINNN-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406681917 925428925 /nfs/dbraw/zinc/42/89/25/925428925.db2.gz UVCDXMLNAWINNN-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)CC(=O)NC(N)=O ZINC001406692609 925429066 /nfs/dbraw/zinc/42/90/66/925429066.db2.gz CKSHURARYTUKGS-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001406687344 925429114 /nfs/dbraw/zinc/42/91/14/925429114.db2.gz BSDQINRZBNKJKG-UWVGGRQHSA-N 1 1 323.357 -1.687 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1nccnc1C(N)=O ZINC001406699962 925429226 /nfs/dbraw/zinc/42/92/26/925429226.db2.gz XOBHPUVRDUJMMI-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1nccnc1C(N)=O ZINC001406699962 925429234 /nfs/dbraw/zinc/42/92/34/925429234.db2.gz XOBHPUVRDUJMMI-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cnn(C)c1 ZINC001406727246 925429934 /nfs/dbraw/zinc/42/99/34/925429934.db2.gz RTGAHICRMFBAAU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cnn(C)c1 ZINC001406727246 925429941 /nfs/dbraw/zinc/42/99/41/925429941.db2.gz RTGAHICRMFBAAU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406776139 925431229 /nfs/dbraw/zinc/43/12/29/925431229.db2.gz RSALHGSWXXDJLR-SCZZXKLOSA-N 1 1 309.374 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001406770883 925432307 /nfs/dbraw/zinc/43/23/07/925432307.db2.gz GKWPWYSAZQLEAZ-GHMZBOCLSA-N 1 1 321.385 -1.185 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCOC2)n1 ZINC001406832482 925434394 /nfs/dbraw/zinc/43/43/94/925434394.db2.gz QXYDSCWVZFDFBS-GHMZBOCLSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCOC2)n1 ZINC001406832510 925434640 /nfs/dbraw/zinc/43/46/40/925434640.db2.gz QXYDSCWVZFDFBS-QWRGUYRKSA-N 1 1 322.369 -1.396 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)cc1=O ZINC001406825215 925435342 /nfs/dbraw/zinc/43/53/42/925435342.db2.gz FRFHLMAWMHMWNP-GFCCVEGCSA-N 1 1 317.353 -1.238 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001406857787 925438335 /nfs/dbraw/zinc/43/83/35/925438335.db2.gz PCAMVRBQZSEWJA-WDEREUQCSA-N 1 1 324.385 -1.164 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406877307 925441336 /nfs/dbraw/zinc/44/13/36/925441336.db2.gz LVTAGALLGOXWGC-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406877307 925441342 /nfs/dbraw/zinc/44/13/42/925441342.db2.gz LVTAGALLGOXWGC-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001407055215 925448087 /nfs/dbraw/zinc/44/80/87/925448087.db2.gz VLCQIBNDSNPQDT-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCOCC2)C1 ZINC001407047449 925448316 /nfs/dbraw/zinc/44/83/16/925448316.db2.gz FHBBGXSJWQXOQY-ZDUSSCGKSA-N 1 1 301.387 -1.532 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001407048676 925448450 /nfs/dbraw/zinc/44/84/50/925448450.db2.gz CPXVZFSFKKOORL-LLVKDONJSA-N 1 1 323.415 -1.972 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001407065681 925449421 /nfs/dbraw/zinc/44/94/21/925449421.db2.gz ZFVGRLLWBWYWDN-NSHDSACASA-N 1 1 313.358 -2.268 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC(N)=O)C1 ZINC001407056193 925450032 /nfs/dbraw/zinc/45/00/32/925450032.db2.gz IEACPLMKCUNPLZ-SNVBAGLBSA-N 1 1 313.358 -2.346 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC(N)=O)C1 ZINC001407056193 925450036 /nfs/dbraw/zinc/45/00/36/925450036.db2.gz IEACPLMKCUNPLZ-SNVBAGLBSA-N 1 1 313.358 -2.346 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001407116980 925452628 /nfs/dbraw/zinc/45/26/28/925452628.db2.gz KKWUKTRQAPZCOL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC001407097039 925453363 /nfs/dbraw/zinc/45/33/63/925453363.db2.gz QDXNYXIRYIQHHN-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO CN1CCN(CC(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)CC1=O ZINC001407160379 925454510 /nfs/dbraw/zinc/45/45/10/925454510.db2.gz HIPHQQMCNOTUPF-HNNXBMFYSA-N 1 1 312.414 -1.277 20 0 DAADMO Cc1nn(CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)c(=O)n1C ZINC001407133793 925454978 /nfs/dbraw/zinc/45/49/78/925454978.db2.gz VKXNWNFVWAVTFH-UHFFFAOYSA-N 1 1 324.385 -1.654 20 0 DAADMO CC1(NC(=O)Cn2ncnn2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001407130565 925455300 /nfs/dbraw/zinc/45/53/00/925455300.db2.gz UQYQFCAMBOBPTN-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001407161086 925455535 /nfs/dbraw/zinc/45/55/35/925455535.db2.gz DUVSBYVIUWJQJR-NSHDSACASA-N 1 1 308.404 -1.997 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407180119 925456079 /nfs/dbraw/zinc/45/60/79/925456079.db2.gz RSQMUDQHVDAUHE-KCJUWKMLSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407180119 925456081 /nfs/dbraw/zinc/45/60/81/925456081.db2.gz RSQMUDQHVDAUHE-KCJUWKMLSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407180122 925456175 /nfs/dbraw/zinc/45/61/75/925456175.db2.gz RSQMUDQHVDAUHE-KWQFWETISA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407180122 925456178 /nfs/dbraw/zinc/45/61/78/925456178.db2.gz RSQMUDQHVDAUHE-KWQFWETISA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407171688 925456251 /nfs/dbraw/zinc/45/62/51/925456251.db2.gz XJSCZBJZLYHLHT-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407171713 925457177 /nfs/dbraw/zinc/45/71/77/925457177.db2.gz XJSCZBJZLYHLHT-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001407176134 925457285 /nfs/dbraw/zinc/45/72/85/925457285.db2.gz MGMZKKZBUMNOSJ-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001407176134 925457291 /nfs/dbraw/zinc/45/72/91/925457291.db2.gz MGMZKKZBUMNOSJ-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407189998 925458053 /nfs/dbraw/zinc/45/80/53/925458053.db2.gz YRYDJELDDZKIHA-YGRLFVJLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407189998 925458054 /nfs/dbraw/zinc/45/80/54/925458054.db2.gz YRYDJELDDZKIHA-YGRLFVJLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)c2ccncc2)CC[N@H+](CC(N)=O)C1 ZINC001407187267 925458088 /nfs/dbraw/zinc/45/80/88/925458088.db2.gz WJSLXSVCYBPWNL-HNNXBMFYSA-N 1 1 319.365 -1.123 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)c2ccncc2)CC[N@@H+](CC(N)=O)C1 ZINC001407187267 925458097 /nfs/dbraw/zinc/45/80/97/925458097.db2.gz WJSLXSVCYBPWNL-HNNXBMFYSA-N 1 1 319.365 -1.123 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407189989 925458918 /nfs/dbraw/zinc/45/89/18/925458918.db2.gz YRYDJELDDZKIHA-HZMBPMFUSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407189989 925458927 /nfs/dbraw/zinc/45/89/27/925458927.db2.gz YRYDJELDDZKIHA-HZMBPMFUSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001407191361 925459185 /nfs/dbraw/zinc/45/91/85/925459185.db2.gz URRBNLVLKKXNST-CQSZACIVSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001407191361 925459191 /nfs/dbraw/zinc/45/91/91/925459191.db2.gz URRBNLVLKKXNST-CQSZACIVSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)c2ccncc2)CC[N@H+](CC(N)=O)C1 ZINC001407187271 925459586 /nfs/dbraw/zinc/45/95/86/925459586.db2.gz WJSLXSVCYBPWNL-OAHLLOKOSA-N 1 1 319.365 -1.123 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)c2ccncc2)CC[N@@H+](CC(N)=O)C1 ZINC001407187271 925459589 /nfs/dbraw/zinc/45/95/89/925459589.db2.gz WJSLXSVCYBPWNL-OAHLLOKOSA-N 1 1 319.365 -1.123 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001407328758 925462288 /nfs/dbraw/zinc/46/22/88/925462288.db2.gz KVEUASLWSJABKD-JQWIXIFHSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1)NC1CC1 ZINC001407327578 925462407 /nfs/dbraw/zinc/46/24/07/925462407.db2.gz UQJKJVQDZDZDPR-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1)NC1CC1 ZINC001407327578 925462411 /nfs/dbraw/zinc/46/24/11/925462411.db2.gz UQJKJVQDZDZDPR-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001407327736 925463391 /nfs/dbraw/zinc/46/33/91/925463391.db2.gz IERWGZIUKSOWJX-JSGCOSHPSA-N 1 1 312.370 -1.557 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001407343590 925464439 /nfs/dbraw/zinc/46/44/39/925464439.db2.gz FKWBNOASZXGRMZ-OCCSQVGLSA-N 1 1 301.387 -1.308 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001407343590 925464445 /nfs/dbraw/zinc/46/44/45/925464445.db2.gz FKWBNOASZXGRMZ-OCCSQVGLSA-N 1 1 301.387 -1.308 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001407348495 925464724 /nfs/dbraw/zinc/46/47/24/925464724.db2.gz GUTAFDSOGIPVNT-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001407348495 925464731 /nfs/dbraw/zinc/46/47/31/925464731.db2.gz GUTAFDSOGIPVNT-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345357 925464821 /nfs/dbraw/zinc/46/48/21/925464821.db2.gz JAGGXIFSUUBFER-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345357 925464824 /nfs/dbraw/zinc/46/48/24/925464824.db2.gz JAGGXIFSUUBFER-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407343488 925464839 /nfs/dbraw/zinc/46/48/39/925464839.db2.gz HJGQWCDTZQOJPT-CQSZACIVSA-N 1 1 324.385 -1.598 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)C1CC1 ZINC001407346162 925464917 /nfs/dbraw/zinc/46/49/17/925464917.db2.gz DSMKXWMZAAXTLP-AWEZNQCLSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)C1CC1 ZINC001407346162 925464924 /nfs/dbraw/zinc/46/49/24/925464924.db2.gz DSMKXWMZAAXTLP-AWEZNQCLSA-N 1 1 323.353 -1.143 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001407342635 925464988 /nfs/dbraw/zinc/46/49/88/925464988.db2.gz JQFMREUQWBHNBC-RNCFNFMXSA-N 1 1 310.358 -1.754 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001407342228 925465010 /nfs/dbraw/zinc/46/50/10/925465010.db2.gz FMJNNXMAUSOYML-GFCCVEGCSA-N 1 1 303.334 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001407342228 925465015 /nfs/dbraw/zinc/46/50/15/925465015.db2.gz FMJNNXMAUSOYML-GFCCVEGCSA-N 1 1 303.334 -1.457 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001407342445 925465169 /nfs/dbraw/zinc/46/51/69/925465169.db2.gz FCHQSQYDIHXPGG-QMTHXVAHSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001407342445 925465176 /nfs/dbraw/zinc/46/51/76/925465176.db2.gz FCHQSQYDIHXPGG-QMTHXVAHSA-N 1 1 323.353 -1.638 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001407344318 925465281 /nfs/dbraw/zinc/46/52/81/925465281.db2.gz CKCDDQABOVBRJT-TVQRCGJNSA-N 1 1 316.333 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001407343595 925465346 /nfs/dbraw/zinc/46/53/46/925465346.db2.gz FKWBNOASZXGRMZ-TZMCWYRMSA-N 1 1 301.387 -1.308 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001407343595 925465352 /nfs/dbraw/zinc/46/53/52/925465352.db2.gz FKWBNOASZXGRMZ-TZMCWYRMSA-N 1 1 301.387 -1.308 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001407346712 925465931 /nfs/dbraw/zinc/46/59/31/925465931.db2.gz FLEQDAUTEZPOME-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001407345475 925465974 /nfs/dbraw/zinc/46/59/74/925465974.db2.gz HPCQAJTUMFCQQL-FZMZJTMJSA-N 1 1 315.370 -1.909 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001407345475 925465980 /nfs/dbraw/zinc/46/59/80/925465980.db2.gz HPCQAJTUMFCQQL-FZMZJTMJSA-N 1 1 315.370 -1.909 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001407343777 925466062 /nfs/dbraw/zinc/46/60/62/925466062.db2.gz GJTKEWBAWMKXMN-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001407345482 925466104 /nfs/dbraw/zinc/46/61/04/925466104.db2.gz HPCQAJTUMFCQQL-RISCZKNCSA-N 1 1 315.370 -1.909 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001407345482 925466110 /nfs/dbraw/zinc/46/61/10/925466110.db2.gz HPCQAJTUMFCQQL-RISCZKNCSA-N 1 1 315.370 -1.909 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001407350408 925467704 /nfs/dbraw/zinc/46/77/04/925467704.db2.gz HEDJLRVGNFODAD-YGRLFVJLSA-N 1 1 322.369 -1.943 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001407350408 925467709 /nfs/dbraw/zinc/46/77/09/925467709.db2.gz HEDJLRVGNFODAD-YGRLFVJLSA-N 1 1 322.369 -1.943 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407356660 925467746 /nfs/dbraw/zinc/46/77/46/925467746.db2.gz UWLUKCUAQPKHJL-HNNXBMFYSA-N 1 1 321.381 -1.263 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407356660 925467753 /nfs/dbraw/zinc/46/77/53/925467753.db2.gz UWLUKCUAQPKHJL-HNNXBMFYSA-N 1 1 321.381 -1.263 20 0 DAADMO CC[C@H](OC)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407355364 925467789 /nfs/dbraw/zinc/46/77/89/925467789.db2.gz QDFZUDGXXIGKHN-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CC[C@H](OC)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407355364 925467792 /nfs/dbraw/zinc/46/77/92/925467792.db2.gz QDFZUDGXXIGKHN-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407349140 925467815 /nfs/dbraw/zinc/46/78/15/925467815.db2.gz IGWQEWSTLVGYEX-XHDPSFHLSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001407350981 925467889 /nfs/dbraw/zinc/46/78/89/925467889.db2.gz NSBKNJINIFHLEG-AWEZNQCLSA-N 1 1 317.353 -1.179 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001407352724 925468017 /nfs/dbraw/zinc/46/80/17/925468017.db2.gz PMDXXIOBFORRCG-NHYWBVRUSA-N 1 1 313.398 -1.021 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001407352045 925468162 /nfs/dbraw/zinc/46/81/62/925468162.db2.gz UGLOOKGYELVOQD-DZGCQCFKSA-N 1 1 314.382 -1.107 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001407351255 925468193 /nfs/dbraw/zinc/46/81/93/925468193.db2.gz NVAJPWBQNFPZMZ-CQSZACIVSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001407351255 925468197 /nfs/dbraw/zinc/46/81/97/925468197.db2.gz NVAJPWBQNFPZMZ-CQSZACIVSA-N 1 1 324.385 -1.703 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353982 925468307 /nfs/dbraw/zinc/46/83/07/925468307.db2.gz PVIVEWXZFIVCGL-XHDPSFHLSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353982 925468311 /nfs/dbraw/zinc/46/83/11/925468311.db2.gz PVIVEWXZFIVCGL-XHDPSFHLSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(COCC(F)F)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407351109 925468587 /nfs/dbraw/zinc/46/85/87/925468587.db2.gz BYGNUTBLIUOSAB-TVQRCGJNSA-N 1 1 321.324 -1.290 20 0 DAADMO O=C(COCC(F)F)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407351109 925468591 /nfs/dbraw/zinc/46/85/91/925468591.db2.gz BYGNUTBLIUOSAB-TVQRCGJNSA-N 1 1 321.324 -1.290 20 0 DAADMO Cc1c(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001407351873 925468637 /nfs/dbraw/zinc/46/86/37/925468637.db2.gz TZMRWLKPCFZRFC-HNNXBMFYSA-N 1 1 323.397 -1.301 20 0 DAADMO Cc1c(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001407351873 925468643 /nfs/dbraw/zinc/46/86/43/925468643.db2.gz TZMRWLKPCFZRFC-HNNXBMFYSA-N 1 1 323.397 -1.301 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001407350401 925468662 /nfs/dbraw/zinc/46/86/62/925468662.db2.gz HEDJLRVGNFODAD-QMTHXVAHSA-N 1 1 322.369 -1.943 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001407350401 925468671 /nfs/dbraw/zinc/46/86/71/925468671.db2.gz HEDJLRVGNFODAD-QMTHXVAHSA-N 1 1 322.369 -1.943 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407361847 925469475 /nfs/dbraw/zinc/46/94/75/925469475.db2.gz YLELSYWPJLVGSU-ZDUSSCGKSA-N 1 1 323.357 -2.542 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407361847 925469483 /nfs/dbraw/zinc/46/94/83/925469483.db2.gz YLELSYWPJLVGSU-ZDUSSCGKSA-N 1 1 323.357 -2.542 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407361199 925469530 /nfs/dbraw/zinc/46/95/30/925469530.db2.gz FWKGPPHSMYFDEW-PWSUYJOCSA-N 1 1 323.415 -2.188 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407361191 925469880 /nfs/dbraw/zinc/46/98/80/925469880.db2.gz FWKGPPHSMYFDEW-JQWIXIFHSA-N 1 1 323.415 -2.188 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001407364674 925469981 /nfs/dbraw/zinc/46/99/81/925469981.db2.gz AWEDTEWOHIYJJT-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)on1 ZINC001407357894 925470262 /nfs/dbraw/zinc/47/02/62/925470262.db2.gz GNUONKQSWCOOCB-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)on1 ZINC001407357894 925470272 /nfs/dbraw/zinc/47/02/72/925470272.db2.gz GNUONKQSWCOOCB-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407359672 925470460 /nfs/dbraw/zinc/47/04/60/925470460.db2.gz GKJDFWMZBKBUPJ-LBPRGKRZSA-N 1 1 311.346 -2.535 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407359672 925470469 /nfs/dbraw/zinc/47/04/69/925470469.db2.gz GKJDFWMZBKBUPJ-LBPRGKRZSA-N 1 1 311.346 -2.535 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2CC)C1 ZINC001407360962 925470544 /nfs/dbraw/zinc/47/05/44/925470544.db2.gz XWOGJZOCJHILIB-CQSZACIVSA-N 1 1 324.385 -1.399 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2CC)C1 ZINC001407360962 925470552 /nfs/dbraw/zinc/47/05/52/925470552.db2.gz XWOGJZOCJHILIB-CQSZACIVSA-N 1 1 324.385 -1.399 20 0 DAADMO Cc1nn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)c(=O)n1C ZINC001407358207 925470758 /nfs/dbraw/zinc/47/07/58/925470758.db2.gz DEEWIYIJXOCBQF-HNNXBMFYSA-N 1 1 323.397 -1.147 20 0 DAADMO Cc1nonc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407364214 925470999 /nfs/dbraw/zinc/47/09/99/925470999.db2.gz GYWIOQXEMJSRKT-SMDDNHRTSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nonc1CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407364214 925471006 /nfs/dbraw/zinc/47/10/06/925471006.db2.gz GYWIOQXEMJSRKT-SMDDNHRTSA-N 1 1 323.353 -1.638 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407358013 925471137 /nfs/dbraw/zinc/47/11/37/925471137.db2.gz AROSDJZNPGKSDR-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407358013 925471141 /nfs/dbraw/zinc/47/11/41/925471141.db2.gz AROSDJZNPGKSDR-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1C1CC1 ZINC001407374137 925471831 /nfs/dbraw/zinc/47/18/31/925471831.db2.gz GAFADTQWFOUEFB-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1C1CC1 ZINC001407374137 925471840 /nfs/dbraw/zinc/47/18/40/925471840.db2.gz GAFADTQWFOUEFB-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001407373732 925472069 /nfs/dbraw/zinc/47/20/69/925472069.db2.gz ZOYLEXIQHYLULG-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001407373732 925472078 /nfs/dbraw/zinc/47/20/78/925472078.db2.gz ZOYLEXIQHYLULG-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)C(C)C ZINC001407367342 925472213 /nfs/dbraw/zinc/47/22/13/925472213.db2.gz KDJBFQPGTWBISG-OCCSQVGLSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)C(C)C ZINC001407367342 925472218 /nfs/dbraw/zinc/47/22/18/925472218.db2.gz KDJBFQPGTWBISG-OCCSQVGLSA-N 1 1 314.386 -1.815 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001407372039 925472323 /nfs/dbraw/zinc/47/23/23/925472323.db2.gz XVMFJTIEDPJNMC-WKPIXPDZSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001407372039 925472328 /nfs/dbraw/zinc/47/23/28/925472328.db2.gz XVMFJTIEDPJNMC-WKPIXPDZSA-N 1 1 324.381 -1.076 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001407373764 925472338 /nfs/dbraw/zinc/47/23/38/925472338.db2.gz ZOYLEXIQHYLULG-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001407373764 925472345 /nfs/dbraw/zinc/47/23/45/925472345.db2.gz ZOYLEXIQHYLULG-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001407368790 925472481 /nfs/dbraw/zinc/47/24/81/925472481.db2.gz KQCACGVJPXKGMS-CQSZACIVSA-N 1 1 309.370 -1.380 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001407368790 925472491 /nfs/dbraw/zinc/47/24/91/925472491.db2.gz KQCACGVJPXKGMS-CQSZACIVSA-N 1 1 309.370 -1.380 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366228 925472562 /nfs/dbraw/zinc/47/25/62/925472562.db2.gz YFPWKGPWPOQJIG-CABZTGNLSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366228 925472564 /nfs/dbraw/zinc/47/25/64/925472564.db2.gz YFPWKGPWPOQJIG-CABZTGNLSA-N 1 1 311.367 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407367466 925472608 /nfs/dbraw/zinc/47/26/08/925472608.db2.gz NFTAKYKRFYDCRI-HZMBPMFUSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407367466 925472617 /nfs/dbraw/zinc/47/26/17/925472617.db2.gz NFTAKYKRFYDCRI-HZMBPMFUSA-N 1 1 312.370 -2.094 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccnn3C)C2)C1=O ZINC001407367226 925472749 /nfs/dbraw/zinc/47/27/49/925472749.db2.gz ZFLAOGBVMNHIMV-WFASDCNBSA-N 1 1 321.381 -1.183 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)O1 ZINC001407373866 925472775 /nfs/dbraw/zinc/47/27/75/925472775.db2.gz ZKVBMWARQAJUSZ-ZOWXZIJZSA-N 1 1 311.382 -1.018 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)CC[N@H+]1C ZINC001407368369 925473199 /nfs/dbraw/zinc/47/31/99/925473199.db2.gz SAQCECVCITVMRH-SLEUVZQESA-N 1 1 312.414 -1.245 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccnn3C)C2)C1=O ZINC001407367184 925473357 /nfs/dbraw/zinc/47/33/57/925473357.db2.gz ZFLAOGBVMNHIMV-DOMZBBRYSA-N 1 1 321.381 -1.183 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375045 925473846 /nfs/dbraw/zinc/47/38/46/925473846.db2.gz XAPOZBYJNFJDIT-PELKAZGASA-N 1 1 311.346 -2.359 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375045 925473854 /nfs/dbraw/zinc/47/38/54/925473854.db2.gz XAPOZBYJNFJDIT-PELKAZGASA-N 1 1 311.346 -2.359 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407374662 925473979 /nfs/dbraw/zinc/47/39/79/925473979.db2.gz ZQAIEDQAVACPQL-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407374663 925473992 /nfs/dbraw/zinc/47/39/92/925473992.db2.gz ZQAIEDQAVACPQL-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001407380002 925474023 /nfs/dbraw/zinc/47/40/23/925474023.db2.gz SUHGJSLBIRVOBI-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001407375559 925474057 /nfs/dbraw/zinc/47/40/57/925474057.db2.gz HSZAHGZWOPETKI-JSGCOSHPSA-N 1 1 312.370 -1.557 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001407378336 925474138 /nfs/dbraw/zinc/47/41/38/925474138.db2.gz SQMLHLYVPNIFMX-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407380345 925474228 /nfs/dbraw/zinc/47/42/28/925474228.db2.gz DVKQIPNDJUBJNO-ABAIWWIYSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407380345 925474232 /nfs/dbraw/zinc/47/42/32/925474232.db2.gz DVKQIPNDJUBJNO-ABAIWWIYSA-N 1 1 323.397 -1.004 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cc1=O ZINC001407374567 925474314 /nfs/dbraw/zinc/47/43/14/925474314.db2.gz JWBYIINVSZVCEC-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001407374567 925474318 /nfs/dbraw/zinc/47/43/18/925474318.db2.gz JWBYIINVSZVCEC-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001407375878 925474677 /nfs/dbraw/zinc/47/46/77/925474677.db2.gz RHMKJIZYKBBTRZ-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001407375878 925474686 /nfs/dbraw/zinc/47/46/86/925474686.db2.gz RHMKJIZYKBBTRZ-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001407375551 925474778 /nfs/dbraw/zinc/47/47/78/925474778.db2.gz HSZAHGZWOPETKI-GXTWGEPZSA-N 1 1 312.370 -1.557 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001407376326 925475035 /nfs/dbraw/zinc/47/50/35/925475035.db2.gz KZQSJPOTYGUCDF-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407376326 925475043 /nfs/dbraw/zinc/47/50/43/925475043.db2.gz KZQSJPOTYGUCDF-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001407375908 925475159 /nfs/dbraw/zinc/47/51/59/925475159.db2.gz RHMKJIZYKBBTRZ-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001407375908 925475161 /nfs/dbraw/zinc/47/51/61/925475161.db2.gz RHMKJIZYKBBTRZ-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001407376324 925475186 /nfs/dbraw/zinc/47/51/86/925475186.db2.gz KZQSJPOTYGUCDF-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407376324 925475189 /nfs/dbraw/zinc/47/51/89/925475189.db2.gz KZQSJPOTYGUCDF-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)COC)C1 ZINC001407375246 925475306 /nfs/dbraw/zinc/47/53/06/925475306.db2.gz UPBMYOYPFKPDOA-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)COC)C1 ZINC001407375246 925475311 /nfs/dbraw/zinc/47/53/11/925475311.db2.gz UPBMYOYPFKPDOA-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1=O ZINC001407378635 925475323 /nfs/dbraw/zinc/47/53/23/925475323.db2.gz UQRDJIJNJUYDTL-IINYFYTJSA-N 1 1 322.369 -1.869 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407374795 925475370 /nfs/dbraw/zinc/47/53/70/925475370.db2.gz DQKGPIWIMZQTFL-IAQYHMDHSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCc2nncn2C1 ZINC001407382331 925476007 /nfs/dbraw/zinc/47/60/07/925476007.db2.gz VWJOYBLPVILARU-IUODEOHRSA-N 1 1 323.397 -1.224 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001407386177 925476535 /nfs/dbraw/zinc/47/65/35/925476535.db2.gz MGTDAFLEHGAPKA-NSHDSACASA-N 1 1 311.382 -1.288 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407384072 925477166 /nfs/dbraw/zinc/47/71/66/925477166.db2.gz QXOQAPDJYVLPFH-TVQRCGJNSA-N 1 1 309.326 -1.567 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407384072 925477169 /nfs/dbraw/zinc/47/71/69/925477169.db2.gz QXOQAPDJYVLPFH-TVQRCGJNSA-N 1 1 309.326 -1.567 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001407383184 925477219 /nfs/dbraw/zinc/47/72/19/925477219.db2.gz HFCCWQVWNRCULQ-AWEZNQCLSA-N 1 1 323.353 -1.612 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001407396520 925479890 /nfs/dbraw/zinc/47/98/90/925479890.db2.gz GIZBUKAWDBLIDS-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001407396520 925479895 /nfs/dbraw/zinc/47/98/95/925479895.db2.gz GIZBUKAWDBLIDS-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001407400044 925481996 /nfs/dbraw/zinc/48/19/96/925481996.db2.gz TXRYHXLXXIGADU-LLVKDONJSA-N 1 1 324.385 -1.893 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001407400044 925482001 /nfs/dbraw/zinc/48/20/01/925482001.db2.gz TXRYHXLXXIGADU-LLVKDONJSA-N 1 1 324.385 -1.893 20 0 DAADMO Cn1cnn(CC(=O)NCC2(O)C[NH+](CCC3CC3)C2)c1=O ZINC001407429283 925491847 /nfs/dbraw/zinc/49/18/47/925491847.db2.gz ZNUOFQOKSFBCEP-UHFFFAOYSA-N 1 1 309.370 -1.455 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001407468365 925496801 /nfs/dbraw/zinc/49/68/01/925496801.db2.gz ATUGLPPILQAEFV-MNOVXSKESA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001407474672 925497962 /nfs/dbraw/zinc/49/79/62/925497962.db2.gz VNNSOLCQYJDYDN-GFCCVEGCSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN([C@@H](C)C(=O)N(C)C)C1 ZINC001407470840 925498713 /nfs/dbraw/zinc/49/87/13/925498713.db2.gz PMJJOGVYDBLCIW-NSHDSACASA-N 1 1 323.397 -1.169 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001407492862 925501425 /nfs/dbraw/zinc/50/14/25/925501425.db2.gz JXLPPFYPLSYUSY-AXFHLTTASA-N 1 1 305.400 -1.503 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001407572388 925505243 /nfs/dbraw/zinc/50/52/43/925505243.db2.gz QAJRKYNMVILMFV-UTUOFQBUSA-N 1 1 319.427 -1.303 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001407556550 925505379 /nfs/dbraw/zinc/50/53/79/925505379.db2.gz QULBHGUAUYXNQW-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001407573006 925505487 /nfs/dbraw/zinc/50/54/87/925505487.db2.gz VOLQGRIRPQPHJF-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001407564232 925505555 /nfs/dbraw/zinc/50/55/55/925505555.db2.gz VDPGHBYAYGNCKX-TUAOUCFPSA-N 1 1 309.370 -1.174 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001407569409 925505645 /nfs/dbraw/zinc/50/56/45/925505645.db2.gz JYTUYHSAWKEQOD-TUAOUCFPSA-N 1 1 314.386 -1.558 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407568375 925505996 /nfs/dbraw/zinc/50/59/96/925505996.db2.gz GVPLZONBHDWQAV-TUAOUCFPSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)NC(N)=O ZINC001407551405 925506053 /nfs/dbraw/zinc/50/60/53/925506053.db2.gz GNKFDZOWAMHHMN-WISYIIOYSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001407565484 925506441 /nfs/dbraw/zinc/50/64/41/925506441.db2.gz CLGNHJRGTRWEKX-HLTSFMKQSA-N 1 1 321.341 -1.608 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407568367 925506654 /nfs/dbraw/zinc/50/66/54/925506654.db2.gz GVPLZONBHDWQAV-GRYCIOLGSA-N 1 1 323.397 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407564265 925506946 /nfs/dbraw/zinc/50/69/46/925506946.db2.gz VMAUNYXVCAQOTF-TUAOUCFPSA-N 1 1 323.397 -1.416 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001407601600 925508737 /nfs/dbraw/zinc/50/87/37/925508737.db2.gz YSVHFIYKFWMRDT-TXEJJXNPSA-N 1 1 319.427 -1.350 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614723 925509427 /nfs/dbraw/zinc/50/94/27/925509427.db2.gz NOZBDEYSHMVVRG-SWLSCSKDSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614723 925509434 /nfs/dbraw/zinc/50/94/34/925509434.db2.gz NOZBDEYSHMVVRG-SWLSCSKDSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001407608215 925509741 /nfs/dbraw/zinc/50/97/41/925509741.db2.gz QRDDEFIJILVBNX-CQSZACIVSA-N 1 1 324.385 -1.272 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001407610511 925509828 /nfs/dbraw/zinc/50/98/28/925509828.db2.gz UBWHXMZAUYDQRW-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CCC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407610147 925510051 /nfs/dbraw/zinc/51/00/51/925510051.db2.gz BMPVXTWFSDYXQO-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614713 925510321 /nfs/dbraw/zinc/51/03/21/925510321.db2.gz NOZBDEYSHMVVRG-IUODEOHRSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614713 925510325 /nfs/dbraw/zinc/51/03/25/925510325.db2.gz NOZBDEYSHMVVRG-IUODEOHRSA-N 1 1 323.397 -1.039 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407617064 925510718 /nfs/dbraw/zinc/51/07/18/925510718.db2.gz JRWGHTUBLPIXHY-GWCFXTLKSA-N 1 1 300.359 -1.743 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2ccnn2)C1 ZINC001407615772 925510749 /nfs/dbraw/zinc/51/07/49/925510749.db2.gz PYXZSELFWHZJKT-GXTWGEPZSA-N 1 1 311.386 -1.008 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001407636833 925511712 /nfs/dbraw/zinc/51/17/12/925511712.db2.gz FXJZXQLGJWARKE-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001407631016 925512422 /nfs/dbraw/zinc/51/24/22/925512422.db2.gz INSFWZRUOXZEFA-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407624085 925512864 /nfs/dbraw/zinc/51/28/64/925512864.db2.gz FPNSRGKQRXZLGS-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407624085 925512873 /nfs/dbraw/zinc/51/28/73/925512873.db2.gz FPNSRGKQRXZLGS-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001407647369 925514355 /nfs/dbraw/zinc/51/43/55/925514355.db2.gz JJLRHHTWNBDGOP-NNYUYHANSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001407648600 925514807 /nfs/dbraw/zinc/51/48/07/925514807.db2.gz BFWDLMLFVSGSDB-MRVPVSSYSA-N 1 1 309.334 -1.887 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)cc1=O ZINC001407644069 925515082 /nfs/dbraw/zinc/51/50/82/925515082.db2.gz MOKUIMKAHNBXDH-CQSZACIVSA-N 1 1 310.354 -1.671 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001407647630 925515181 /nfs/dbraw/zinc/51/51/81/925515181.db2.gz XUGWFNVNEKJOMG-ZWNOBZJWSA-N 1 1 302.375 -1.631 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001407648615 925515302 /nfs/dbraw/zinc/51/53/02/925515302.db2.gz BFWDLMLFVSGSDB-QMMMGPOBSA-N 1 1 309.334 -1.887 20 0 DAADMO Cn1ncc(CCC(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)n1 ZINC001407659181 925516742 /nfs/dbraw/zinc/51/67/42/925516742.db2.gz NWAGPGYQYTXXRX-CQSZACIVSA-N 1 1 311.386 -1.317 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001407697436 925520762 /nfs/dbraw/zinc/52/07/62/925520762.db2.gz RXIUFEOUYQLWRP-JTQLQIEISA-N 1 1 322.373 -1.353 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001407745848 925521838 /nfs/dbraw/zinc/52/18/38/925521838.db2.gz XGFLFJOQKSMAJV-RYUDHWBXSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001407745848 925521841 /nfs/dbraw/zinc/52/18/41/925521841.db2.gz XGFLFJOQKSMAJV-RYUDHWBXSA-N 1 1 314.386 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2C)CCC1 ZINC001407804130 925526760 /nfs/dbraw/zinc/52/67/60/925526760.db2.gz NVPAUWNKCPEDDB-JTQLQIEISA-N 1 1 321.385 -1.041 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+][C@@H](C)c2nncn2C)C1 ZINC001407819505 925528703 /nfs/dbraw/zinc/52/87/03/925528703.db2.gz AVDGHMGOHOKPAK-CMPLNLGQSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001407838243 925529752 /nfs/dbraw/zinc/52/97/52/925529752.db2.gz LEUJPODTGJGUHT-ZJUUUORDSA-N 1 1 310.358 -1.572 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001407840581 925529852 /nfs/dbraw/zinc/52/98/52/925529852.db2.gz UKEWQFKTHUVCLP-GFCCVEGCSA-N 1 1 324.385 -1.046 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001407844733 925529968 /nfs/dbraw/zinc/52/99/68/925529968.db2.gz FIZKMQKJJSQVQW-LBPRGKRZSA-N 1 1 314.386 -1.798 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407841724 925530006 /nfs/dbraw/zinc/53/00/06/925530006.db2.gz VYJZNBHYHMETSU-SKDRFNHKSA-N 1 1 324.385 -1.045 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001407912158 925535189 /nfs/dbraw/zinc/53/51/89/925535189.db2.gz AKSJSFPXJBSPKT-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001407918694 925535391 /nfs/dbraw/zinc/53/53/91/925535391.db2.gz OOTHVQDJVKHAID-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CNC(=O)N1 ZINC001407934168 925536002 /nfs/dbraw/zinc/53/60/02/925536002.db2.gz ZCKGRBTVRFHWSH-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO Cc1nonc1C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001407952540 925536225 /nfs/dbraw/zinc/53/62/25/925536225.db2.gz FZFDAUPIKXDNHB-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001407921980 925536670 /nfs/dbraw/zinc/53/66/70/925536670.db2.gz KTNDQGZNQXCJMG-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001407911809 925536727 /nfs/dbraw/zinc/53/67/27/925536727.db2.gz IXPDQOAAASZIJJ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408002255 925538751 /nfs/dbraw/zinc/53/87/51/925538751.db2.gz GAYMSCKDNIJQEG-KKJSVHSVSA-N 1 1 323.397 -1.432 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC(C)([NH2+]Cc2nnn(C)n2)CC1 ZINC001408089176 925546797 /nfs/dbraw/zinc/54/67/97/925546797.db2.gz KLUSJSBYXUTFIR-VIFPVBQESA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnon2)C1 ZINC001408100684 925548149 /nfs/dbraw/zinc/54/81/49/925548149.db2.gz NXCSEXZCUPATOB-SCZZXKLOSA-N 1 1 317.371 -1.445 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113626 925548490 /nfs/dbraw/zinc/54/84/90/925548490.db2.gz XCQAXDYAVQFGAI-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113626 925548494 /nfs/dbraw/zinc/54/84/94/925548494.db2.gz XCQAXDYAVQFGAI-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1 ZINC001408136320 925549917 /nfs/dbraw/zinc/54/99/17/925549917.db2.gz FRHMLQQCZUXQSA-GFCCVEGCSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CN1CN=NC1=O ZINC001408134257 925550074 /nfs/dbraw/zinc/55/00/74/925550074.db2.gz ZNOGIQLNTWTFKB-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001408141391 925550887 /nfs/dbraw/zinc/55/08/87/925550887.db2.gz QRSWZUQBUKHBDI-LBPRGKRZSA-N 1 1 324.385 -1.746 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001408151616 925551766 /nfs/dbraw/zinc/55/17/66/925551766.db2.gz DCEPYWYATBFTEF-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCC(=O)NCC(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC001408143883 925552027 /nfs/dbraw/zinc/55/20/27/925552027.db2.gz WCNQYGSZXWXLFK-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1ncnc1C[NH2+]CC1(O)CCN(C(=O)c2cn[nH]n2)CC1 ZINC001408166433 925552652 /nfs/dbraw/zinc/55/26/52/925552652.db2.gz DNOUCDZSIKRBFA-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001408155508 925553577 /nfs/dbraw/zinc/55/35/77/925553577.db2.gz GUOVFIOKPJAKNR-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001408155508 925553585 /nfs/dbraw/zinc/55/35/85/925553585.db2.gz GUOVFIOKPJAKNR-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186185 925554103 /nfs/dbraw/zinc/55/41/03/925554103.db2.gz WTQYRKKBHANHNH-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186185 925554112 /nfs/dbraw/zinc/55/41/12/925554112.db2.gz WTQYRKKBHANHNH-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186170 925555073 /nfs/dbraw/zinc/55/50/73/925555073.db2.gz WTQYRKKBHANHNH-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186170 925555081 /nfs/dbraw/zinc/55/50/81/925555081.db2.gz WTQYRKKBHANHNH-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)cn1 ZINC001408186910 925555220 /nfs/dbraw/zinc/55/52/20/925555220.db2.gz XMESXRFPDGASMS-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001408182903 925555656 /nfs/dbraw/zinc/55/56/56/925555656.db2.gz DFHKDROHNJDTJW-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001408263477 925560174 /nfs/dbraw/zinc/56/01/74/925560174.db2.gz HXTPRHFPYWXRSQ-MNOVXSKESA-N 1 1 324.381 -1.903 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001408253081 925560223 /nfs/dbraw/zinc/56/02/23/925560223.db2.gz LKYZPTFWAVHMNZ-SNVBAGLBSA-N 1 1 312.374 -1.054 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001408273522 925560834 /nfs/dbraw/zinc/56/08/34/925560834.db2.gz FVQYEASEMQSFAU-UHFFFAOYSA-N 1 1 310.358 -1.584 20 0 DAADMO C[C@H](O)C[NH+]1CCC(CO)(NC(=O)CCS(C)(=O)=O)CC1 ZINC001408279589 925561083 /nfs/dbraw/zinc/56/10/83/925561083.db2.gz VKOSOCZAUPTZSR-NSHDSACASA-N 1 1 322.427 -1.255 20 0 DAADMO Cn1cnc(C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)n1 ZINC001408268669 925561233 /nfs/dbraw/zinc/56/12/33/925561233.db2.gz UJQDDPLTYJKXRC-JTQLQIEISA-N 1 1 322.369 -1.740 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001408334424 925564761 /nfs/dbraw/zinc/56/47/61/925564761.db2.gz KSMJFUXEZMXLIF-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344826 925565220 /nfs/dbraw/zinc/56/52/20/925565220.db2.gz QTXVCZYRVWRRCL-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344826 925565227 /nfs/dbraw/zinc/56/52/27/925565227.db2.gz QTXVCZYRVWRRCL-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CN=NC1=O ZINC001408331333 925565547 /nfs/dbraw/zinc/56/55/47/925565547.db2.gz KTVZSUIIMYCESF-MNOVXSKESA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344898 925566764 /nfs/dbraw/zinc/56/67/64/925566764.db2.gz RESUYUZVTYIFDY-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC001408352768 925567279 /nfs/dbraw/zinc/56/72/79/925567279.db2.gz HPZQWBYEGGOJLH-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)CNC(C)=O)C1 ZINC001408513042 925572676 /nfs/dbraw/zinc/57/26/76/925572676.db2.gz JOTYSUZYLDVXIS-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)CNC(C)=O)C1 ZINC001408513042 925572683 /nfs/dbraw/zinc/57/26/83/925572683.db2.gz JOTYSUZYLDVXIS-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001408519710 925573342 /nfs/dbraw/zinc/57/33/42/925573342.db2.gz GYAFAVNWYIWDML-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001408575384 925578660 /nfs/dbraw/zinc/57/86/60/925578660.db2.gz WIHXSZPAHHRYLK-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408578763 925579296 /nfs/dbraw/zinc/57/92/96/925579296.db2.gz NDBXEHLMJOXMHK-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408578763 925579303 /nfs/dbraw/zinc/57/93/03/925579303.db2.gz NDBXEHLMJOXMHK-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)Cn2nccn2)C1 ZINC001408584925 925580136 /nfs/dbraw/zinc/58/01/36/925580136.db2.gz YCVOWTYQNMHIDX-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)Cn2nccn2)C1 ZINC001408584925 925580141 /nfs/dbraw/zinc/58/01/41/925580141.db2.gz YCVOWTYQNMHIDX-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001408633441 925584026 /nfs/dbraw/zinc/58/40/26/925584026.db2.gz NQNUALPLAYZXOH-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408655842 925586418 /nfs/dbraw/zinc/58/64/18/925586418.db2.gz NEQUDSULTCDRLT-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001408671866 925589306 /nfs/dbraw/zinc/58/93/06/925589306.db2.gz WTNKSDMWAHWBCR-JTQLQIEISA-N 1 1 308.342 -1.552 20 0 DAADMO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408694057 925590839 /nfs/dbraw/zinc/59/08/39/925590839.db2.gz XYHGMRHALRYFDX-OUAUKWLOSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408694057 925590846 /nfs/dbraw/zinc/59/08/46/925590846.db2.gz XYHGMRHALRYFDX-OUAUKWLOSA-N 1 1 312.370 -1.987 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001408727799 925592048 /nfs/dbraw/zinc/59/20/48/925592048.db2.gz GVFGLRRMBRBZDH-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001408727799 925592054 /nfs/dbraw/zinc/59/20/54/925592054.db2.gz GVFGLRRMBRBZDH-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001408770504 925593333 /nfs/dbraw/zinc/59/33/33/925593333.db2.gz DOUXIOWOYRHMFQ-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408747259 925594383 /nfs/dbraw/zinc/59/43/83/925594383.db2.gz IQHIMQPNYKAIOZ-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CCCN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408855262 925597220 /nfs/dbraw/zinc/59/72/20/925597220.db2.gz RVQWCOGVFPLAHN-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCN3CCOCC3)C2)C1 ZINC001409078733 925610137 /nfs/dbraw/zinc/61/01/37/925610137.db2.gz YRRJGANIITXQMM-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001409108392 925615672 /nfs/dbraw/zinc/61/56/72/925615672.db2.gz PYGQPMBMQHNMAG-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001409130161 925618180 /nfs/dbraw/zinc/61/81/80/925618180.db2.gz CUIXKJBDYQDRGA-NSHDSACASA-N 1 1 323.397 -1.144 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409142784 925619309 /nfs/dbraw/zinc/61/93/09/925619309.db2.gz WETICVTVGDEUDH-NSHDSACASA-N 1 1 320.353 -1.552 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001409144007 925620492 /nfs/dbraw/zinc/62/04/92/925620492.db2.gz MECCKHKMZPPTJN-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001409149992 925621129 /nfs/dbraw/zinc/62/11/29/925621129.db2.gz WXEWUFOVXUHUKZ-UHFFFAOYSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001409284002 925627084 /nfs/dbraw/zinc/62/70/84/925627084.db2.gz FPUFMBCCNBQWHA-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001409286575 925627548 /nfs/dbraw/zinc/62/75/48/925627548.db2.gz IPDDWTTVNPJBKI-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001409267497 925627767 /nfs/dbraw/zinc/62/77/67/925627767.db2.gz HRWITWDBKUFVPJ-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001409267497 925627769 /nfs/dbraw/zinc/62/77/69/925627769.db2.gz HRWITWDBKUFVPJ-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001409267484 925628026 /nfs/dbraw/zinc/62/80/26/925628026.db2.gz HRWITWDBKUFVPJ-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001409267484 925628032 /nfs/dbraw/zinc/62/80/32/925628032.db2.gz HRWITWDBKUFVPJ-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409315508 925628967 /nfs/dbraw/zinc/62/89/67/925628967.db2.gz NPSMLTIZNFBALU-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)[NH2+]Cc1cnon1 ZINC001409358884 925631600 /nfs/dbraw/zinc/63/16/00/925631600.db2.gz HHHCBAPTBIXHEJ-NXEZZACHSA-N 1 1 311.342 -1.089 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001409553707 925634998 /nfs/dbraw/zinc/63/49/98/925634998.db2.gz IJDOSAKOKPCKCG-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COCCO1)[N@@H+](C)CCN1CCNC1=O ZINC001409524890 925635465 /nfs/dbraw/zinc/63/54/65/925635465.db2.gz KGQWKVTUKLLCGO-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001409487700 925635685 /nfs/dbraw/zinc/63/56/85/925635685.db2.gz AIEVSUYZEUEHEX-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001409487700 925635688 /nfs/dbraw/zinc/63/56/88/925635688.db2.gz AIEVSUYZEUEHEX-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001409552762 925635697 /nfs/dbraw/zinc/63/56/97/925635697.db2.gz FKSPKMZRMHHQHP-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001409552762 925635701 /nfs/dbraw/zinc/63/57/01/925635701.db2.gz FKSPKMZRMHHQHP-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001409480491 925635970 /nfs/dbraw/zinc/63/59/70/925635970.db2.gz XETWJGAUQUJSJA-BDAKNGLRSA-N 1 1 322.373 -1.456 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001409487693 925636108 /nfs/dbraw/zinc/63/61/08/925636108.db2.gz AIEVSUYZEUEHEX-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001409487693 925636114 /nfs/dbraw/zinc/63/61/14/925636114.db2.gz AIEVSUYZEUEHEX-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cncn1C ZINC001409603686 925638586 /nfs/dbraw/zinc/63/85/86/925638586.db2.gz SMRCCIHSDMVVDQ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cncn1C ZINC001409603686 925638592 /nfs/dbraw/zinc/63/85/92/925638592.db2.gz SMRCCIHSDMVVDQ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[N@@H+](C)CCO ZINC001409578575 925638603 /nfs/dbraw/zinc/63/86/03/925638603.db2.gz JPJVNMNWKPEWKJ-QMMMGPOBSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cncn1C ZINC001409570941 925638772 /nfs/dbraw/zinc/63/87/72/925638772.db2.gz CSKOAVOFKCSSGS-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1cncn1C ZINC001409570941 925638776 /nfs/dbraw/zinc/63/87/76/925638776.db2.gz CSKOAVOFKCSSGS-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001409615951 925639425 /nfs/dbraw/zinc/63/94/25/925639425.db2.gz GGKLHWTWEIBRJW-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001409615951 925639433 /nfs/dbraw/zinc/63/94/33/925639433.db2.gz GGKLHWTWEIBRJW-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001409636065 925639669 /nfs/dbraw/zinc/63/96/69/925639669.db2.gz FWMNBEOKFBPUIX-GHMZBOCLSA-N 1 1 312.370 -1.162 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001409623655 925640391 /nfs/dbraw/zinc/64/03/91/925640391.db2.gz GOHLDSDRTYCSAS-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001409623655 925640394 /nfs/dbraw/zinc/64/03/94/925640394.db2.gz GOHLDSDRTYCSAS-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@H+](C)CC(=O)NC1CC1 ZINC001409638749 925641150 /nfs/dbraw/zinc/64/11/50/925641150.db2.gz FEPKLPGPZCZLKO-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CC(=O)NC1CC1 ZINC001409638749 925641159 /nfs/dbraw/zinc/64/11/59/925641159.db2.gz FEPKLPGPZCZLKO-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001409652098 925642480 /nfs/dbraw/zinc/64/24/80/925642480.db2.gz OOZCDYOTORPRDG-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001409652098 925642484 /nfs/dbraw/zinc/64/24/84/925642484.db2.gz OOZCDYOTORPRDG-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001409650447 925642664 /nfs/dbraw/zinc/64/26/64/925642664.db2.gz ZVROTVLTCOOAJJ-MWLCHTKSSA-N 1 1 324.385 -1.785 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409703930 925646345 /nfs/dbraw/zinc/64/63/45/925646345.db2.gz WGTPTSMFBQNVAH-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN([C@@H](C)C(N)=O)C1 ZINC001409749574 925650964 /nfs/dbraw/zinc/65/09/64/925650964.db2.gz DDGUBSVVSLESHF-NSHDSACASA-N 1 1 300.403 -1.247 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN([C@H](C)C(N)=O)C1 ZINC001409749573 925651373 /nfs/dbraw/zinc/65/13/73/925651373.db2.gz DDGUBSVVSLESHF-LLVKDONJSA-N 1 1 300.403 -1.247 20 0 DAADMO Cn1nncc1CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409756853 925652485 /nfs/dbraw/zinc/65/24/85/925652485.db2.gz RRNFCZDJKQBHAR-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)COC)C1 ZINC001409832259 925652760 /nfs/dbraw/zinc/65/27/60/925652760.db2.gz FCJHHEXELNACEN-BDAKNGLRSA-N 1 1 300.359 -1.087 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001409898130 925655451 /nfs/dbraw/zinc/65/54/51/925655451.db2.gz KKHYSXPTQZGRSO-RKDXNWHRSA-N 1 1 320.415 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409898108 925655664 /nfs/dbraw/zinc/65/56/64/925655664.db2.gz KKHYSXPTQZGRSO-IUCAKERBSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409937271 925657078 /nfs/dbraw/zinc/65/70/78/925657078.db2.gz XFZUSVVRLYDROJ-BDAKNGLRSA-N 1 1 310.358 -2.108 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC001409966055 925659164 /nfs/dbraw/zinc/65/91/64/925659164.db2.gz BZVBOXDUCVSUPP-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001409989434 925660545 /nfs/dbraw/zinc/66/05/45/925660545.db2.gz ASFRJNBBZYQYOK-NSHDSACASA-N 1 1 309.374 -1.458 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001410011935 925661983 /nfs/dbraw/zinc/66/19/83/925661983.db2.gz BDOFGYIOQMZAKG-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001410011935 925661992 /nfs/dbraw/zinc/66/19/92/925661992.db2.gz BDOFGYIOQMZAKG-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001410027725 925662240 /nfs/dbraw/zinc/66/22/40/925662240.db2.gz IDKBATYZAVLLGG-YFKTTZPYSA-N 1 1 319.369 -1.754 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001410042402 925663991 /nfs/dbraw/zinc/66/39/91/925663991.db2.gz AXOULBUTENKTLA-WISYIIOYSA-N 1 1 324.381 -1.133 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001410061491 925669008 /nfs/dbraw/zinc/66/90/08/925669008.db2.gz ZAIGXXRFIYENOB-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001410061487 925669216 /nfs/dbraw/zinc/66/92/16/925669216.db2.gz ZAIGXXRFIYENOB-LLVKDONJSA-N 1 1 311.342 -2.079 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001410069602 925670345 /nfs/dbraw/zinc/67/03/45/925670345.db2.gz IXWHFSIYEVZFDX-CNDDSTCGSA-N 1 1 319.427 -1.398 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCCC(N)=O ZINC001410074103 925671832 /nfs/dbraw/zinc/67/18/32/925671832.db2.gz CGXOASPMZVSXNX-QWRGUYRKSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)NC)[C@@H]2C1 ZINC001410071323 925672060 /nfs/dbraw/zinc/67/20/60/925672060.db2.gz MSDNJMGJCAPNGA-MMWGEVLESA-N 1 1 311.386 -1.527 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001410079347 925673648 /nfs/dbraw/zinc/67/36/48/925673648.db2.gz PUZUXNSDESGPMG-MWGHHZFTSA-N 1 1 312.370 -1.508 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001410078536 925673671 /nfs/dbraw/zinc/67/36/71/925673671.db2.gz ACNTUXZIJGTLGV-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001410080369 925674980 /nfs/dbraw/zinc/67/49/80/925674980.db2.gz OEHYATVRWWZCRJ-CHWFTXMASA-N 1 1 305.342 -2.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCNC(N)=O ZINC001410088698 925676676 /nfs/dbraw/zinc/67/66/76/925676676.db2.gz MVJPRANIAAKJFO-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cnn(C)n3)[C@@H]2C1 ZINC001410106069 925682715 /nfs/dbraw/zinc/68/27/15/925682715.db2.gz DJLQCBDRJUSPAH-XYYAHUGASA-N 1 1 320.397 -1.212 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001410106030 925683458 /nfs/dbraw/zinc/68/34/58/925683458.db2.gz CQTUFXPMBWDZMY-OWUUHHOZSA-N 1 1 320.353 -1.559 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001410118644 925686826 /nfs/dbraw/zinc/68/68/26/925686826.db2.gz OLVFUSGIXMILLS-ZJUUUORDSA-N 1 1 316.358 -1.972 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001410117199 925687002 /nfs/dbraw/zinc/68/70/02/925687002.db2.gz JROPFUVUEBULAE-FIQHERPVSA-N 1 1 319.427 -1.447 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001410120946 925688974 /nfs/dbraw/zinc/68/89/74/925688974.db2.gz PWSNBMASDXLFGB-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001410119326 925689549 /nfs/dbraw/zinc/68/95/49/925689549.db2.gz BEDKMSXLZQLZQU-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001410132243 925690079 /nfs/dbraw/zinc/69/00/79/925690079.db2.gz NKRYJVBWANFYRD-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001410130599 925691022 /nfs/dbraw/zinc/69/10/22/925691022.db2.gz VWWCOKZKQXLNKC-CQSZACIVSA-N 1 1 314.386 -1.006 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001410130599 925691028 /nfs/dbraw/zinc/69/10/28/925691028.db2.gz VWWCOKZKQXLNKC-CQSZACIVSA-N 1 1 314.386 -1.006 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001410136213 925691724 /nfs/dbraw/zinc/69/17/24/925691724.db2.gz QLNFFYYCOOOZNJ-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410133142 925692928 /nfs/dbraw/zinc/69/29/28/925692928.db2.gz PIDCPAJFHAKRFY-ZJUUUORDSA-N 1 1 315.374 -2.399 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001410140931 925694064 /nfs/dbraw/zinc/69/40/64/925694064.db2.gz UAAQPSLSJCMXKF-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140931 925694070 /nfs/dbraw/zinc/69/40/70/925694070.db2.gz UAAQPSLSJCMXKF-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140931 925694073 /nfs/dbraw/zinc/69/40/73/925694073.db2.gz UAAQPSLSJCMXKF-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140931 925694079 /nfs/dbraw/zinc/69/40/79/925694079.db2.gz UAAQPSLSJCMXKF-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140931 925694087 /nfs/dbraw/zinc/69/40/87/925694087.db2.gz UAAQPSLSJCMXKF-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001410146419 925694441 /nfs/dbraw/zinc/69/44/41/925694441.db2.gz IBLZZCDNUCXXBO-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001410143225 925694608 /nfs/dbraw/zinc/69/46/08/925694608.db2.gz WTUHWZAQYYCFBV-RTCCRHLQSA-N 1 1 311.386 -1.573 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001410146551 925694621 /nfs/dbraw/zinc/69/46/21/925694621.db2.gz PYQQOQJARCZAPC-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410149997 925695811 /nfs/dbraw/zinc/69/58/11/925695811.db2.gz YDPDCCDYUSLWIG-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410150704 925696161 /nfs/dbraw/zinc/69/61/61/925696161.db2.gz ZRAGFEJRPHFZOW-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410150647 925696352 /nfs/dbraw/zinc/69/63/52/925696352.db2.gz ZRAGFEJRPHFZOW-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410175136 925699502 /nfs/dbraw/zinc/69/95/02/925699502.db2.gz KPGYFQAAUBSQDB-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410175136 925699505 /nfs/dbraw/zinc/69/95/05/925699505.db2.gz KPGYFQAAUBSQDB-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410174937 925700334 /nfs/dbraw/zinc/70/03/34/925700334.db2.gz KCRMFBYDZZFDCO-RKDXNWHRSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410174937 925700346 /nfs/dbraw/zinc/70/03/46/925700346.db2.gz KCRMFBYDZZFDCO-RKDXNWHRSA-N 1 1 301.347 -2.394 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](C)CC(=O)NC(N)=O)CC2)nn1 ZINC001410214457 925702795 /nfs/dbraw/zinc/70/27/95/925702795.db2.gz DTDOXYOFVYYGGL-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001410248102 925705642 /nfs/dbraw/zinc/70/56/42/925705642.db2.gz FAQLRBOTAOTIOW-LLVKDONJSA-N 1 1 312.374 -1.246 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001410253232 925705739 /nfs/dbraw/zinc/70/57/39/925705739.db2.gz VCVHOEAOHVIUPQ-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@@H+](C)CC(=O)NC(N)=O)CC2)n1 ZINC001410249443 925705877 /nfs/dbraw/zinc/70/58/77/925705877.db2.gz HLNMAGURGZUORP-UHFFFAOYSA-N 1 1 324.345 -2.059 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001410356697 925712783 /nfs/dbraw/zinc/71/27/83/925712783.db2.gz TZXWJSBXLBNFHJ-ONGXEEELSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001410356697 925712787 /nfs/dbraw/zinc/71/27/87/925712787.db2.gz TZXWJSBXLBNFHJ-ONGXEEELSA-N 1 1 324.385 -1.433 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410374755 925714686 /nfs/dbraw/zinc/71/46/86/925714686.db2.gz UDAQGGSTGQNQJV-WCBMZHEXSA-N 1 1 308.342 -1.506 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001410439381 925718333 /nfs/dbraw/zinc/71/83/33/925718333.db2.gz ORQPPAJZZURBHM-NXEZZACHSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001410445280 925719649 /nfs/dbraw/zinc/71/96/49/925719649.db2.gz PTOGMZHAEKMVLQ-JTQLQIEISA-N 1 1 324.389 -2.422 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001410450739 925719888 /nfs/dbraw/zinc/71/98/88/925719888.db2.gz VIVVAEDRADJBDJ-ADEWGFFLSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001410445944 925719936 /nfs/dbraw/zinc/71/99/36/925719936.db2.gz WSSHBLFDPZQRNG-QMMMGPOBSA-N 1 1 320.357 -1.113 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1cc(C)no1 ZINC001410514394 925722554 /nfs/dbraw/zinc/72/25/54/925722554.db2.gz GHALTQRAFXKXQN-VIFPVBQESA-N 1 1 300.315 -1.365 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001410541425 925725620 /nfs/dbraw/zinc/72/56/20/925725620.db2.gz BXLPSTGCCKJWMD-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001410561308 925727727 /nfs/dbraw/zinc/72/77/27/925727727.db2.gz RZIXPPSWAMVABW-NSHDSACASA-N 1 1 300.359 -2.188 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410566901 925729056 /nfs/dbraw/zinc/72/90/56/925729056.db2.gz WTXHAXJGWNEEPU-JTQLQIEISA-N 1 1 316.358 -2.952 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+](C)C(C)C ZINC001410571937 925730232 /nfs/dbraw/zinc/73/02/32/925730232.db2.gz JAJVZLIQAVCDLB-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)C[N@@H+](C)C(C)C ZINC001410571936 925731572 /nfs/dbraw/zinc/73/15/72/925731572.db2.gz JAJVZLIQAVCDLB-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001410582663 925732843 /nfs/dbraw/zinc/73/28/43/925732843.db2.gz OLMDKYDZXXGNMC-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001410582663 925732852 /nfs/dbraw/zinc/73/28/52/925732852.db2.gz OLMDKYDZXXGNMC-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)ncn1 ZINC001410580837 925733019 /nfs/dbraw/zinc/73/30/19/925733019.db2.gz VHWMTIRMYNNQMY-LLVKDONJSA-N 1 1 306.330 -1.962 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410581336 925733286 /nfs/dbraw/zinc/73/32/86/925733286.db2.gz MLZTYAVMJAGLEV-GHMZBOCLSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410581336 925733294 /nfs/dbraw/zinc/73/32/94/925733294.db2.gz MLZTYAVMJAGLEV-GHMZBOCLSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)nnn1C ZINC001410578824 925733615 /nfs/dbraw/zinc/73/36/15/925733615.db2.gz JVACQXWYMRIBMD-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001410597926 925736955 /nfs/dbraw/zinc/73/69/55/925736955.db2.gz XMDKCFHOJKTFAB-GHMZBOCLSA-N 1 1 323.353 -1.670 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001410595641 925737641 /nfs/dbraw/zinc/73/76/41/925737641.db2.gz UMERDBKPTRIVHA-DTWKUNHWSA-N 1 1 313.383 -1.308 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)CCNC(N)=O ZINC001410598527 925738630 /nfs/dbraw/zinc/73/86/30/925738630.db2.gz WSIGQMMDESDLRJ-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001410628178 925742601 /nfs/dbraw/zinc/74/26/01/925742601.db2.gz QVYDJUZTLXHGGX-NXEZZACHSA-N 1 1 310.358 -2.047 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001410641264 925743724 /nfs/dbraw/zinc/74/37/24/925743724.db2.gz WQNOYUWHYRQSHZ-VIFPVBQESA-N 1 1 314.342 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001410633107 925743894 /nfs/dbraw/zinc/74/38/94/925743894.db2.gz BRIDYQBEKBGFSA-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnoc1C ZINC001410642631 925745613 /nfs/dbraw/zinc/74/56/13/925745613.db2.gz OOKQERAQJKBHHK-NSHDSACASA-N 1 1 313.358 -1.131 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001410643093 925746128 /nfs/dbraw/zinc/74/61/28/925746128.db2.gz PBRQYFOSHNKHIM-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cnoc1C ZINC001410642623 925746506 /nfs/dbraw/zinc/74/65/06/925746506.db2.gz OOKQERAQJKBHHK-LLVKDONJSA-N 1 1 313.358 -1.131 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C ZINC001410648864 925746593 /nfs/dbraw/zinc/74/65/93/925746593.db2.gz UMSSNLWUROVKRS-SNVBAGLBSA-N 1 1 313.358 -1.131 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410641795 925746630 /nfs/dbraw/zinc/74/66/30/925746630.db2.gz CCTDWZZPGPZCCZ-OLZOCXBDSA-N 1 1 312.414 -1.517 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)o1 ZINC001410655772 925749200 /nfs/dbraw/zinc/74/92/00/925749200.db2.gz LBJOEFPMOFRZRX-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)o1 ZINC001410655768 925749826 /nfs/dbraw/zinc/74/98/26/925749826.db2.gz LBJOEFPMOFRZRX-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ncc(C)s1 ZINC001410656791 925750335 /nfs/dbraw/zinc/75/03/35/925750335.db2.gz TZHXVCJAUMWSEJ-SECBINFHSA-N 1 1 315.399 -1.053 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001410662683 925751656 /nfs/dbraw/zinc/75/16/56/925751656.db2.gz IICWBRVOCHLZDB-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)c1nnn(C)n1 ZINC001410660115 925751999 /nfs/dbraw/zinc/75/19/99/925751999.db2.gz XNRBLDDZGDBRKY-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001410660596 925752297 /nfs/dbraw/zinc/75/22/97/925752297.db2.gz ZXZOAAWURCIAOP-JTQLQIEISA-N 1 1 310.358 -1.719 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2c1CCC2 ZINC001410667490 925754512 /nfs/dbraw/zinc/75/45/12/925754512.db2.gz LFHMYXZZLSFZBH-SECBINFHSA-N 1 1 319.369 -1.093 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001410676247 925755002 /nfs/dbraw/zinc/75/50/02/925755002.db2.gz XKAAVSPWZVVIHU-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001410679549 925755045 /nfs/dbraw/zinc/75/50/45/925755045.db2.gz OCWNZKQXRGJXDC-MNOVXSKESA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001410679560 925756028 /nfs/dbraw/zinc/75/60/28/925756028.db2.gz OCWNZKQXRGJXDC-QWRGUYRKSA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)cn1 ZINC001410677490 925756473 /nfs/dbraw/zinc/75/64/73/925756473.db2.gz YBMYNVSXKLFZES-WCQYABFASA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001410694997 925758947 /nfs/dbraw/zinc/75/89/47/925758947.db2.gz GBXBLQMLORJQRZ-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001410694941 925759721 /nfs/dbraw/zinc/75/97/21/925759721.db2.gz MUTAQIWMOAAHAR-QNWHQSFQSA-N 1 1 323.393 -1.026 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001410694941 925759723 /nfs/dbraw/zinc/75/97/23/925759723.db2.gz MUTAQIWMOAAHAR-QNWHQSFQSA-N 1 1 323.393 -1.026 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001410694993 925759910 /nfs/dbraw/zinc/75/99/10/925759910.db2.gz GBXBLQMLORJQRZ-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001410700071 925760612 /nfs/dbraw/zinc/76/06/12/925760612.db2.gz NYBKIYPVSJVCKO-SNVBAGLBSA-N 1 1 323.397 -1.096 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001410712694 925763256 /nfs/dbraw/zinc/76/32/56/925763256.db2.gz OGZGZQOFEFRODF-UWVGGRQHSA-N 1 1 316.383 -1.171 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2[nH]nnc2C)nn1 ZINC001410714124 925763988 /nfs/dbraw/zinc/76/39/88/925763988.db2.gz WBLSCZSOMOOXSZ-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001410723948 925767951 /nfs/dbraw/zinc/76/79/51/925767951.db2.gz JWFNXOMUAHSENS-PWSUYJOCSA-N 1 1 300.403 -1.341 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)CCn2cnnn2)o1 ZINC001410749367 925771237 /nfs/dbraw/zinc/77/12/37/925771237.db2.gz ASNHONMIXCXGTM-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001410750825 925772230 /nfs/dbraw/zinc/77/22/30/925772230.db2.gz CJLSAWPNIAAJAB-JTQLQIEISA-N 1 1 307.358 -1.170 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410761774 925774443 /nfs/dbraw/zinc/77/44/43/925774443.db2.gz ZPMIRPMLCKNIJT-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410761794 925774519 /nfs/dbraw/zinc/77/45/19/925774519.db2.gz ZPMIRPMLCKNIJT-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410761788 925774561 /nfs/dbraw/zinc/77/45/61/925774561.db2.gz ZPMIRPMLCKNIJT-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001410771208 925776324 /nfs/dbraw/zinc/77/63/24/925776324.db2.gz LSSQQZXZQHVIKV-CMPLNLGQSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001410766246 925776419 /nfs/dbraw/zinc/77/64/19/925776419.db2.gz FZCRNDRDNJIELF-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1cc(C)n(CC[NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)n1 ZINC001410765894 925776667 /nfs/dbraw/zinc/77/66/67/925776667.db2.gz IWJVVTTYVQMGBC-GFCCVEGCSA-N 1 1 321.385 -1.073 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410776343 925777704 /nfs/dbraw/zinc/77/77/04/925777704.db2.gz BWNSTAYAMGGSJB-NSHDSACASA-N 1 1 324.385 -1.546 20 0 DAADMO NC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410775887 925778315 /nfs/dbraw/zinc/77/83/15/925778315.db2.gz APHBGFUAAFFZPK-SECBINFHSA-N 1 1 301.347 -2.656 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410779511 925778602 /nfs/dbraw/zinc/77/86/02/925778602.db2.gz KSICHMBLZPMIDQ-LBPRGKRZSA-N 1 1 319.369 -1.312 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001410775841 925778636 /nfs/dbraw/zinc/77/86/36/925778636.db2.gz AJZZRDWDOVXIAY-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775841 925778647 /nfs/dbraw/zinc/77/86/47/925778647.db2.gz AJZZRDWDOVXIAY-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)c1 ZINC001410786969 925781803 /nfs/dbraw/zinc/78/18/03/925781803.db2.gz NSVXKNRDWVQYJW-GFCCVEGCSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1[nH]c(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793975 925783827 /nfs/dbraw/zinc/78/38/27/925783827.db2.gz UXFDURQCWZDFEK-UWVGGRQHSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CCc2cn(C)nn2)n1 ZINC001410816069 925786792 /nfs/dbraw/zinc/78/67/92/925786792.db2.gz IXOYEFPLISHBIN-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001410925408 925793124 /nfs/dbraw/zinc/79/31/24/925793124.db2.gz NPCLRWOSWLFKDH-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001410925408 925793129 /nfs/dbraw/zinc/79/31/29/925793129.db2.gz NPCLRWOSWLFKDH-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001410932315 925794638 /nfs/dbraw/zinc/79/46/38/925794638.db2.gz FGAUHJZCVYHASV-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001410945419 925794980 /nfs/dbraw/zinc/79/49/80/925794980.db2.gz CURGUZQGWXQEBX-ZJUUUORDSA-N 1 1 324.389 -1.486 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1COCCO1 ZINC001410965182 925795268 /nfs/dbraw/zinc/79/52/68/925795268.db2.gz ASPFECYVIOZTOR-MNOVXSKESA-N 1 1 313.358 -1.861 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001410932307 925796020 /nfs/dbraw/zinc/79/60/20/925796020.db2.gz FGAUHJZCVYHASV-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccn(C)n1)C(=O)CS(C)(=O)=O ZINC001410967046 925796389 /nfs/dbraw/zinc/79/63/89/925796389.db2.gz BOHCIWKPEHVSNV-NSHDSACASA-N 1 1 318.399 -1.626 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001410977289 925796440 /nfs/dbraw/zinc/79/64/40/925796440.db2.gz IZZCSUUNEZXUNG-KOLCDFICSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnsn1 ZINC001410969139 925796705 /nfs/dbraw/zinc/79/67/05/925796705.db2.gz CQALDXDRWZGLFW-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccn1C ZINC001410972035 925796774 /nfs/dbraw/zinc/79/67/74/925796774.db2.gz FLKKVARCJUDGTH-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cnn(C)c1 ZINC001410977276 925796788 /nfs/dbraw/zinc/79/67/88/925796788.db2.gz IZHPDDYZDWTLAZ-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001410977301 925796859 /nfs/dbraw/zinc/79/68/59/925796859.db2.gz IZZCSUUNEZXUNG-ONGXEEELSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cscn1)C(=O)Cn1cnnn1 ZINC001410971948 925796905 /nfs/dbraw/zinc/79/69/05/925796905.db2.gz GAFKDVWCLWUWDY-SNVBAGLBSA-N 1 1 311.371 -1.261 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)cn1 ZINC001410967325 925797293 /nfs/dbraw/zinc/79/72/93/925797293.db2.gz BINSNCJLQSTDDC-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cnn(C)c1 ZINC001410977256 925797872 /nfs/dbraw/zinc/79/78/72/925797872.db2.gz IZHPDDYZDWTLAZ-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnsn1 ZINC001410971386 925797899 /nfs/dbraw/zinc/79/78/99/925797899.db2.gz FRCSSHHFPMQOSK-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001410979689 925798438 /nfs/dbraw/zinc/79/84/38/925798438.db2.gz JXVSWWWPXJKUNL-SECBINFHSA-N 1 1 315.330 -1.357 20 0 DAADMO COCCC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001410981856 925798621 /nfs/dbraw/zinc/79/86/21/925798621.db2.gz XXTUDTXYXXJOKY-NXEZZACHSA-N 1 1 300.363 -1.284 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001410986947 925798692 /nfs/dbraw/zinc/79/86/92/925798692.db2.gz PNUUIYXVEYGYLA-SECBINFHSA-N 1 1 314.346 -1.920 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001410977643 925798701 /nfs/dbraw/zinc/79/87/01/925798701.db2.gz JXZZWFYYXIBSEU-ONGXEEELSA-N 1 1 322.373 -1.273 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001410977633 925798985 /nfs/dbraw/zinc/79/89/85/925798985.db2.gz JXZZWFYYXIBSEU-KOLCDFICSA-N 1 1 322.373 -1.273 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411002397 925800166 /nfs/dbraw/zinc/80/01/66/925800166.db2.gz YOWWFSIAGJZYOF-VHSXEESVSA-N 1 1 300.363 -1.456 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411003402 925800393 /nfs/dbraw/zinc/80/03/93/925800393.db2.gz JHSKQIFLENPGTI-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001410995834 925801629 /nfs/dbraw/zinc/80/16/29/925801629.db2.gz XFBWDAMVBJLBQX-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C1=COCCO1 ZINC001410995191 925801849 /nfs/dbraw/zinc/80/18/49/925801849.db2.gz XCCHMOVPRJZYEM-SNVBAGLBSA-N 1 1 311.342 -1.388 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001411035651 925803055 /nfs/dbraw/zinc/80/30/55/925803055.db2.gz XDCGOUXFBPAOSZ-YGRLFVJLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cscn1 ZINC001411047462 925805668 /nfs/dbraw/zinc/80/56/68/925805668.db2.gz UYXMFHQSTUBBPY-SNVBAGLBSA-N 1 1 315.399 -1.019 20 0 DAADMO Cc1ccnc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001411059076 925806171 /nfs/dbraw/zinc/80/61/71/925806171.db2.gz GBBKLEMNLZGKQI-JTQLQIEISA-N 1 1 320.357 -1.469 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CCn1ccnn1 ZINC001411059193 925807964 /nfs/dbraw/zinc/80/79/64/925807964.db2.gz GEHYMJKHAAIBGK-NSHDSACASA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC1(F)F ZINC001411078101 925809764 /nfs/dbraw/zinc/80/97/64/925809764.db2.gz VOGNIDXUAVGVAN-HTQZYQBOSA-N 1 1 304.301 -1.226 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001411070162 925810035 /nfs/dbraw/zinc/81/00/35/925810035.db2.gz DAEZZMRAKKFJPM-GWCFXTLKSA-N 1 1 311.342 -1.353 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1c[nH]c(=O)n1C ZINC001411091237 925812168 /nfs/dbraw/zinc/81/21/68/925812168.db2.gz JGKWYMFXZZQAME-SNVBAGLBSA-N 1 1 323.357 -1.523 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001411115497 925813088 /nfs/dbraw/zinc/81/30/88/925813088.db2.gz JCZKYIMMEGZOEQ-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO CCc1ncoc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411100186 925814330 /nfs/dbraw/zinc/81/43/30/925814330.db2.gz PMDYPJCPZJEWGW-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cn1ccnc1 ZINC001411126956 925816577 /nfs/dbraw/zinc/81/65/77/925816577.db2.gz MWBNZCJAMDSDJG-SNVBAGLBSA-N 1 1 308.346 -1.984 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnon1)c1nncn1C ZINC001411133731 925818113 /nfs/dbraw/zinc/81/81/13/925818113.db2.gz XOYIXWAITAMFBB-IUCAKERBSA-N 1 1 309.330 -1.018 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1nnc[nH]1 ZINC001411137390 925818509 /nfs/dbraw/zinc/81/85/09/925818509.db2.gz FKTKUTIEOKZYPP-VIFPVBQESA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccc(=O)[nH]c1 ZINC001411145133 925819784 /nfs/dbraw/zinc/81/97/84/925819784.db2.gz RBSOWRUSOTZFKO-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411150554 925820292 /nfs/dbraw/zinc/82/02/92/925820292.db2.gz LMTIBSZCCOOGNO-SNVBAGLBSA-N 1 1 310.354 -1.102 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411150554 925820301 /nfs/dbraw/zinc/82/03/01/925820301.db2.gz LMTIBSZCCOOGNO-SNVBAGLBSA-N 1 1 310.354 -1.102 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001411144821 925820427 /nfs/dbraw/zinc/82/04/27/925820427.db2.gz CFRNPRRLCHNHTK-VXGBXAGGSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001411144821 925820437 /nfs/dbraw/zinc/82/04/37/925820437.db2.gz CFRNPRRLCHNHTK-VXGBXAGGSA-N 1 1 311.386 -1.059 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cn1ncn(C)c1=O ZINC001411158735 925822388 /nfs/dbraw/zinc/82/23/88/925822388.db2.gz FEFXIZNQKTZNOE-SNVBAGLBSA-N 1 1 301.347 -2.675 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)nnn1C ZINC001411151670 925822975 /nfs/dbraw/zinc/82/29/75/925822975.db2.gz NPRRCHSAACTQMM-ZJUUUORDSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)nnn1C ZINC001411151670 925822987 /nfs/dbraw/zinc/82/29/87/925822987.db2.gz NPRRCHSAACTQMM-ZJUUUORDSA-N 1 1 312.374 -1.638 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001411158055 925823439 /nfs/dbraw/zinc/82/34/39/925823439.db2.gz FIXAQGBFZGGMOG-GFCCVEGCSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001411158055 925823443 /nfs/dbraw/zinc/82/34/43/925823443.db2.gz FIXAQGBFZGGMOG-GFCCVEGCSA-N 1 1 311.386 -1.127 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411170423 925824515 /nfs/dbraw/zinc/82/45/15/925824515.db2.gz JDDDQPGVSUEWJW-WDEREUQCSA-N 1 1 315.374 -1.813 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001411166630 925825127 /nfs/dbraw/zinc/82/51/27/925825127.db2.gz WWTFVJBJEMWVKK-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001411166630 925825135 /nfs/dbraw/zinc/82/51/35/925825135.db2.gz WWTFVJBJEMWVKK-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163684 925825796 /nfs/dbraw/zinc/82/57/96/925825796.db2.gz MHQAZMPNLKWFPE-NXEZZACHSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163684 925825805 /nfs/dbraw/zinc/82/58/05/925825805.db2.gz MHQAZMPNLKWFPE-NXEZZACHSA-N 1 1 313.362 -2.441 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001411162212 925825948 /nfs/dbraw/zinc/82/59/48/925825948.db2.gz HJSJTEWEZQDZLZ-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001411174972 925826687 /nfs/dbraw/zinc/82/66/87/925826687.db2.gz WMUNSOHYYZSSLG-NSHDSACASA-N 1 1 303.403 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001411174972 925826694 /nfs/dbraw/zinc/82/66/94/925826694.db2.gz WMUNSOHYYZSSLG-NSHDSACASA-N 1 1 303.403 -1.013 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176657 925826734 /nfs/dbraw/zinc/82/67/34/925826734.db2.gz DISIZUVBWOZSJO-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176657 925826748 /nfs/dbraw/zinc/82/67/48/925826748.db2.gz DISIZUVBWOZSJO-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CN1CCNC(=O)C1 ZINC001411175172 925826815 /nfs/dbraw/zinc/82/68/15/925826815.db2.gz LMRCYANRJJNHOF-NSHDSACASA-N 1 1 304.366 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CN1CCNC(=O)C1 ZINC001411175172 925826822 /nfs/dbraw/zinc/82/68/22/925826822.db2.gz LMRCYANRJJNHOF-NSHDSACASA-N 1 1 304.366 -1.861 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c(C)n1 ZINC001411176931 925826995 /nfs/dbraw/zinc/82/69/95/925826995.db2.gz HSLLGVHWZUYFQV-NSHDSACASA-N 1 1 309.370 -1.057 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c(C)n1 ZINC001411176931 925827005 /nfs/dbraw/zinc/82/70/05/925827005.db2.gz HSLLGVHWZUYFQV-NSHDSACASA-N 1 1 309.370 -1.057 20 0 DAADMO Cc1cc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn2ncnn2)on1 ZINC001411170833 925827028 /nfs/dbraw/zinc/82/70/28/925827028.db2.gz PYUJARQLVVEYGA-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1cc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn2ncnn2)on1 ZINC001411170833 925827034 /nfs/dbraw/zinc/82/70/34/925827034.db2.gz PYUJARQLVVEYGA-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411170997 925827205 /nfs/dbraw/zinc/82/72/05/925827205.db2.gz XPAZDHVYIPBDPG-LLVKDONJSA-N 1 1 315.370 -1.286 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411170997 925827216 /nfs/dbraw/zinc/82/72/16/925827216.db2.gz XPAZDHVYIPBDPG-LLVKDONJSA-N 1 1 315.370 -1.286 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccnn1C ZINC001411170683 925827269 /nfs/dbraw/zinc/82/72/69/925827269.db2.gz RAAWNRVBIZTAHO-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccnn1C ZINC001411170683 925827280 /nfs/dbraw/zinc/82/72/80/925827280.db2.gz RAAWNRVBIZTAHO-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174043 925827299 /nfs/dbraw/zinc/82/72/99/925827299.db2.gz RLZUJPHWBRASAB-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174043 925827309 /nfs/dbraw/zinc/82/73/09/925827309.db2.gz RLZUJPHWBRASAB-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174035 925827643 /nfs/dbraw/zinc/82/76/43/925827643.db2.gz RLZUJPHWBRASAB-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174035 925827652 /nfs/dbraw/zinc/82/76/52/925827652.db2.gz RLZUJPHWBRASAB-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411175353 925827861 /nfs/dbraw/zinc/82/78/61/925827861.db2.gz XYZPPMFMCSWJDN-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411175353 925827870 /nfs/dbraw/zinc/82/78/70/925827870.db2.gz XYZPPMFMCSWJDN-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cncn1C ZINC001411179340 925828029 /nfs/dbraw/zinc/82/80/29/925828029.db2.gz DWJFXUBIMLGDTQ-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cncn1C ZINC001411179340 925828036 /nfs/dbraw/zinc/82/80/36/925828036.db2.gz DWJFXUBIMLGDTQ-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001411173148 925828114 /nfs/dbraw/zinc/82/81/14/925828114.db2.gz VOOJOFPCPKEELC-SECBINFHSA-N 1 1 314.346 -2.880 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411173527 925828580 /nfs/dbraw/zinc/82/85/80/925828580.db2.gz FGBYAKYFBWZPKC-LLVKDONJSA-N 1 1 314.390 -1.000 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1ncc[nH]1 ZINC001411178683 925828930 /nfs/dbraw/zinc/82/89/30/925828930.db2.gz IDPVGFJKLITSTK-GFCCVEGCSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1ncc[nH]1 ZINC001411178683 925828939 /nfs/dbraw/zinc/82/89/39/925828939.db2.gz IDPVGFJKLITSTK-GFCCVEGCSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001411187582 925829385 /nfs/dbraw/zinc/82/93/85/925829385.db2.gz SKEIYKCRSHZFCZ-VIFPVBQESA-N 1 1 314.342 -2.157 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C(C)C ZINC001411184912 925829561 /nfs/dbraw/zinc/82/95/61/925829561.db2.gz ZIAGRHYWOXBJMV-CHWSQXEVSA-N 1 1 303.403 -1.110 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001411183879 925830008 /nfs/dbraw/zinc/83/00/08/925830008.db2.gz XPMDSCOVBZADPN-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001411192474 925830068 /nfs/dbraw/zinc/83/00/68/925830068.db2.gz ZZBACVZYFZNDPU-RKDXNWHRSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001411192474 925830075 /nfs/dbraw/zinc/83/00/75/925830075.db2.gz ZZBACVZYFZNDPU-RKDXNWHRSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cn1ccccc1=O ZINC001411187528 925830293 /nfs/dbraw/zinc/83/02/93/925830293.db2.gz SGASCDYCNGTGEI-CYBMUJFWSA-N 1 1 311.382 -1.018 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001411184757 925830398 /nfs/dbraw/zinc/83/03/98/925830398.db2.gz OJPIZBSPNQYJON-GFCCVEGCSA-N 1 1 321.443 -1.512 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001411184980 925830611 /nfs/dbraw/zinc/83/06/11/925830611.db2.gz YICLCDDRQXIJJP-DZGCQCFKSA-N 1 1 315.414 -1.012 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189774 925831282 /nfs/dbraw/zinc/83/12/82/925831282.db2.gz SJNVOQJKMTWWSM-QWRGUYRKSA-N 1 1 324.443 -1.059 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189774 925831293 /nfs/dbraw/zinc/83/12/93/925831293.db2.gz SJNVOQJKMTWWSM-QWRGUYRKSA-N 1 1 324.443 -1.059 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001411191740 925832440 /nfs/dbraw/zinc/83/24/40/925832440.db2.gz QYRMWWMWBPSHCX-SNVBAGLBSA-N 1 1 312.370 -1.139 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001411311455 925835995 /nfs/dbraw/zinc/83/59/95/925835995.db2.gz KRWYFERGPRZZBI-CXQJBGSLSA-N 1 1 321.385 -1.364 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001411379226 925838773 /nfs/dbraw/zinc/83/87/73/925838773.db2.gz XLQVTTMTSVNINM-WDEREUQCSA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001411490137 925841831 /nfs/dbraw/zinc/84/18/31/925841831.db2.gz AGKYQBYYXFTYQG-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523923 925844177 /nfs/dbraw/zinc/84/41/77/925844177.db2.gz RIJVIWRJWULNDL-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523923 925844185 /nfs/dbraw/zinc/84/41/85/925844185.db2.gz RIJVIWRJWULNDL-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001411565018 925846449 /nfs/dbraw/zinc/84/64/49/925846449.db2.gz QSENWMFXTVXADU-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)Cn1ncnn1 ZINC001411638073 925848824 /nfs/dbraw/zinc/84/88/24/925848824.db2.gz ZFRFLCNGWIUBMT-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411642399 925848995 /nfs/dbraw/zinc/84/89/95/925848995.db2.gz QFBXXIRPOFVPPB-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001411708103 925851711 /nfs/dbraw/zinc/85/17/11/925851711.db2.gz POUHPBKLPDXYMW-JTQLQIEISA-N 1 1 307.358 -1.236 20 0 DAADMO Cc1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001411694977 925851903 /nfs/dbraw/zinc/85/19/03/925851903.db2.gz DVZBGFRHYPPORJ-CQSZACIVSA-N 1 1 308.386 -1.068 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)nn1-c1nc[nH]n1 ZINC001411786832 925857403 /nfs/dbraw/zinc/85/74/03/925857403.db2.gz SAXUSKOOFLZHFO-JTQLQIEISA-N 1 1 319.373 -1.331 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)nn1-c1nc[nH]n1 ZINC001411786832 925857412 /nfs/dbraw/zinc/85/74/12/925857412.db2.gz SAXUSKOOFLZHFO-JTQLQIEISA-N 1 1 319.373 -1.331 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)nn1 ZINC001411785296 925857897 /nfs/dbraw/zinc/85/78/97/925857897.db2.gz LAVRQRKVODYCBM-NSHDSACASA-N 1 1 323.401 -1.658 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)nn1 ZINC001411785296 925857903 /nfs/dbraw/zinc/85/79/03/925857903.db2.gz LAVRQRKVODYCBM-NSHDSACASA-N 1 1 323.401 -1.658 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nn1-c1nc[nH]n1 ZINC001411786837 925858194 /nfs/dbraw/zinc/85/81/94/925858194.db2.gz SAXUSKOOFLZHFO-SNVBAGLBSA-N 1 1 319.373 -1.331 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)nn1-c1nc[nH]n1 ZINC001411786837 925858203 /nfs/dbraw/zinc/85/82/03/925858203.db2.gz SAXUSKOOFLZHFO-SNVBAGLBSA-N 1 1 319.373 -1.331 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001411776694 925858628 /nfs/dbraw/zinc/85/86/28/925858628.db2.gz WUUQLTAEJXMXIR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H](O)c1cn(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)nn1 ZINC001412110029 925874148 /nfs/dbraw/zinc/87/41/48/925874148.db2.gz NJNFARLUBFMGQT-SRVKXCTJSA-N 1 1 309.370 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001412349197 925888828 /nfs/dbraw/zinc/88/88/28/925888828.db2.gz ASAZAODNNDOMOK-NSHDSACASA-N 1 1 320.415 -1.637 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NCc2n[nH]c(CO)n2)CC1=O ZINC001412363368 925888931 /nfs/dbraw/zinc/88/89/31/925888931.db2.gz JYFLGCDXJAYICX-VIFPVBQESA-N 1 1 310.358 -1.677 20 0 DAADMO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC001412399595 925891337 /nfs/dbraw/zinc/89/13/37/925891337.db2.gz LJGKANBWYAFCGY-MXWKQRLJSA-N 1 1 311.386 -2.333 20 0 DAADMO C[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC001412399586 925891465 /nfs/dbraw/zinc/89/14/65/925891465.db2.gz LJGKANBWYAFCGY-GMTAPVOTSA-N 1 1 311.386 -2.333 20 0 DAADMO COC(=O)c1cccn(CC(=O)NCC[N@H+]2CC[C@H](O)C2)c1=O ZINC001412403479 925891534 /nfs/dbraw/zinc/89/15/34/925891534.db2.gz GHKUEODMSSWHHL-NSHDSACASA-N 1 1 323.349 -1.182 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001412402652 925892286 /nfs/dbraw/zinc/89/22/86/925892286.db2.gz AGASLOYZWDABFS-ZDUSSCGKSA-N 1 1 321.381 -1.203 20 0 DAADMO O=C(CCC(=O)N1CCC(O)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001412406184 925893003 /nfs/dbraw/zinc/89/30/03/925893003.db2.gz JNGIHOGMWCWFKW-ZDUSSCGKSA-N 1 1 313.398 -1.067 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001412418681 925894787 /nfs/dbraw/zinc/89/47/87/925894787.db2.gz OIIFNNYNWSVYPQ-JTQLQIEISA-N 1 1 301.343 -1.634 20 0 DAADMO O=C(C[C@H]1C=CS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465525 925901003 /nfs/dbraw/zinc/90/10/03/925901003.db2.gz MKSTVOIVUAWYLJ-ZYHUDNBSSA-N 1 1 304.368 -1.598 20 0 DAADMO O=C(C[C@@H]1C=CS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465490 925901366 /nfs/dbraw/zinc/90/13/66/925901366.db2.gz MKSTVOIVUAWYLJ-CMPLNLGQSA-N 1 1 304.368 -1.598 20 0 DAADMO COc1cc(OC)nc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001412467590 925901439 /nfs/dbraw/zinc/90/14/39/925901439.db2.gz WIRZWJBOWSVWSS-ZDUSSCGKSA-N 1 1 312.326 -1.426 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001412501918 925904955 /nfs/dbraw/zinc/90/49/55/925904955.db2.gz RLTZNTRCXQFVFQ-KOLCDFICSA-N 1 1 307.354 -1.510 20 0 DAADMO NS(=O)(=O)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001412499088 925905032 /nfs/dbraw/zinc/90/50/32/925905032.db2.gz FKRBTVAJAHKRDD-UHFFFAOYSA-N 1 1 305.400 -1.012 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514247 925905758 /nfs/dbraw/zinc/90/57/58/925905758.db2.gz JXEYPGLXLIFWHW-ISVAXAHUSA-N 1 1 308.342 -1.907 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514247 925905766 /nfs/dbraw/zinc/90/57/66/925905766.db2.gz JXEYPGLXLIFWHW-ISVAXAHUSA-N 1 1 308.342 -1.907 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514251 925906204 /nfs/dbraw/zinc/90/62/04/925906204.db2.gz JXEYPGLXLIFWHW-OQPBUACISA-N 1 1 308.342 -1.907 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514251 925906213 /nfs/dbraw/zinc/90/62/13/925906213.db2.gz JXEYPGLXLIFWHW-OQPBUACISA-N 1 1 308.342 -1.907 20 0 DAADMO C[C@@H](C(=O)NCc1nnc2n1CCNC2=O)N1CC[NH+](C)CC1 ZINC001412516434 925906308 /nfs/dbraw/zinc/90/63/08/925906308.db2.gz UHWUYSHKIFTIIK-JTQLQIEISA-N 1 1 321.385 -1.726 20 0 DAADMO C[C@H](C(=O)NCc1nnc2n1CCNC2=O)N1CC[NH+](C)CC1 ZINC001412516436 925906321 /nfs/dbraw/zinc/90/63/21/925906321.db2.gz UHWUYSHKIFTIIK-SNVBAGLBSA-N 1 1 321.385 -1.726 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001412521646 925907693 /nfs/dbraw/zinc/90/76/93/925907693.db2.gz WOERKOAZAFMIGV-OTYXRUKQSA-N 1 1 320.353 -1.169 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nn1 ZINC001412522516 925908183 /nfs/dbraw/zinc/90/81/83/925908183.db2.gz OEERNAKHJCXDLD-VHSXEESVSA-N 1 1 308.342 -1.956 20 0 DAADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001412531235 925908276 /nfs/dbraw/zinc/90/82/76/925908276.db2.gz XJLDMNUBODWJBU-LBPRGKRZSA-N 1 1 315.418 -1.500 20 0 DAADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001412531235 925908284 /nfs/dbraw/zinc/90/82/84/925908284.db2.gz XJLDMNUBODWJBU-LBPRGKRZSA-N 1 1 315.418 -1.500 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001412552401 925911262 /nfs/dbraw/zinc/91/12/62/925911262.db2.gz VRLBLPLOBDDXHO-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO Cn1cc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+](C)CCO ZINC001412607794 925916060 /nfs/dbraw/zinc/91/60/60/925916060.db2.gz OKYQMVNLIOVDBV-UHFFFAOYSA-N 1 1 304.372 -1.674 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NCC[N@@H+](C)CCO)cn1 ZINC001412612487 925916285 /nfs/dbraw/zinc/91/62/85/925916285.db2.gz WMSUQKVJHOQDPY-UHFFFAOYSA-N 1 1 319.387 -2.261 20 0 DAADMO C[NH+](C)CCN(C(=O)CCC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001412629348 925918828 /nfs/dbraw/zinc/91/88/28/925918828.db2.gz NKQUDGGFRRWGOS-JTQLQIEISA-N 1 1 305.400 -1.171 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412734342 925929192 /nfs/dbraw/zinc/92/91/92/925929192.db2.gz GOBDEAYTRLDVAR-MNOVXSKESA-N 1 1 300.359 -2.190 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412733560 925929343 /nfs/dbraw/zinc/92/93/43/925929343.db2.gz RHDZJCJECDVTQG-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412733560 925929349 /nfs/dbraw/zinc/92/93/49/925929349.db2.gz RHDZJCJECDVTQG-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001412740767 925930805 /nfs/dbraw/zinc/93/08/05/925930805.db2.gz SHHYNQVHJLKWFZ-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](CO)NC(N)=O)C[C@H]1C ZINC001412744878 925932967 /nfs/dbraw/zinc/93/29/67/925932967.db2.gz BGDWFXCLIUIRDL-NXEZZACHSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](CO)NC(N)=O)C[C@H]1C ZINC001412744878 925932975 /nfs/dbraw/zinc/93/29/75/925932975.db2.gz BGDWFXCLIUIRDL-NXEZZACHSA-N 1 1 316.358 -1.889 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001412757917 925937557 /nfs/dbraw/zinc/93/75/57/925937557.db2.gz SXUGICSVRJZZEX-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001412759663 925938256 /nfs/dbraw/zinc/93/82/56/925938256.db2.gz RQVIPJXKTPXQLR-VXGBXAGGSA-N 1 1 309.370 -1.572 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412771823 925940746 /nfs/dbraw/zinc/94/07/46/925940746.db2.gz BVHQYNKMEVCXIA-CMPLNLGQSA-N 1 1 309.370 -1.042 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)C)C1 ZINC001412769883 925940946 /nfs/dbraw/zinc/94/09/46/925940946.db2.gz WADDALDANQPMJE-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)C)C1 ZINC001412769883 925940952 /nfs/dbraw/zinc/94/09/52/925940952.db2.gz WADDALDANQPMJE-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412771828 925941471 /nfs/dbraw/zinc/94/14/71/925941471.db2.gz BVHQYNKMEVCXIA-ZYHUDNBSSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001412776636 925941971 /nfs/dbraw/zinc/94/19/71/925941971.db2.gz UJSCLPIAXHWROC-KOLCDFICSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnsn1 ZINC001412783607 925945897 /nfs/dbraw/zinc/94/58/97/925945897.db2.gz OSTBGYLQYXBILS-WPRPVWTQSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1ccon1 ZINC001412788291 925946319 /nfs/dbraw/zinc/94/63/19/925946319.db2.gz LTLNNTKNSKQTBU-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)COCC2CC2)C1 ZINC001412789100 925946378 /nfs/dbraw/zinc/94/63/78/925946378.db2.gz XYQGXTZIKDJEPZ-OLZOCXBDSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787461 925947282 /nfs/dbraw/zinc/94/72/82/925947282.db2.gz VVMWXWGXQLXBRC-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787461 925947291 /nfs/dbraw/zinc/94/72/91/925947291.db2.gz VVMWXWGXQLXBRC-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001412792007 925948073 /nfs/dbraw/zinc/94/80/73/925948073.db2.gz GPTRGKUNDCNCEH-HUBLWGQQSA-N 1 1 321.381 -1.401 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001412800963 925951655 /nfs/dbraw/zinc/95/16/55/925951655.db2.gz RIVOFPOXTUMPRQ-MWLCHTKSSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001412799910 925951891 /nfs/dbraw/zinc/95/18/91/925951891.db2.gz CBNINPLZHVFFLB-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001412799910 925951895 /nfs/dbraw/zinc/95/18/95/925951895.db2.gz CBNINPLZHVFFLB-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCCF)C1 ZINC001412801575 925952015 /nfs/dbraw/zinc/95/20/15/925952015.db2.gz DOPWMBDAAKLFNY-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCCF)C1 ZINC001412801575 925952023 /nfs/dbraw/zinc/95/20/23/925952023.db2.gz DOPWMBDAAKLFNY-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cncnc1 ZINC001412805045 925952700 /nfs/dbraw/zinc/95/27/00/925952700.db2.gz UOWNDJCRDFOLAR-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001412806582 925952976 /nfs/dbraw/zinc/95/29/76/925952976.db2.gz HQUANIZEGKTFIS-NOOOWODRSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cocn2)C1 ZINC001412806668 925953192 /nfs/dbraw/zinc/95/31/92/925953192.db2.gz HKFOMMWHEJNGTA-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cocn2)C1 ZINC001412806668 925953204 /nfs/dbraw/zinc/95/32/04/925953204.db2.gz HKFOMMWHEJNGTA-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cncnc1 ZINC001412805064 925953541 /nfs/dbraw/zinc/95/35/41/925953541.db2.gz UOWNDJCRDFOLAR-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H]1OC(=O)N[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001412804788 925954273 /nfs/dbraw/zinc/95/42/73/925954273.db2.gz FIRJPSYAYJIAKZ-FBKDDSFISA-N 1 1 313.354 -1.175 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2nnc[nH]2)C1 ZINC001412814430 925956258 /nfs/dbraw/zinc/95/62/58/925956258.db2.gz NQVOYLBAHZNRBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814430 925956262 /nfs/dbraw/zinc/95/62/62/925956262.db2.gz NQVOYLBAHZNRBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814430 925956267 /nfs/dbraw/zinc/95/62/67/925956267.db2.gz NQVOYLBAHZNRBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412814299 925956458 /nfs/dbraw/zinc/95/64/58/925956458.db2.gz NGEZNMFYKQCTKN-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412814299 925956467 /nfs/dbraw/zinc/95/64/67/925956467.db2.gz NGEZNMFYKQCTKN-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nnc[nH]2)C1 ZINC001412814414 925956845 /nfs/dbraw/zinc/95/68/45/925956845.db2.gz NQVOYLBAHZNRBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814414 925956855 /nfs/dbraw/zinc/95/68/55/925956855.db2.gz NQVOYLBAHZNRBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814414 925956864 /nfs/dbraw/zinc/95/68/64/925956864.db2.gz NQVOYLBAHZNRBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412814348 925957499 /nfs/dbraw/zinc/95/74/99/925957499.db2.gz NGEZNMFYKQCTKN-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412814348 925957508 /nfs/dbraw/zinc/95/75/08/925957508.db2.gz NGEZNMFYKQCTKN-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001412836534 925963438 /nfs/dbraw/zinc/96/34/38/925963438.db2.gz DZSJFCIRBTUZAJ-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001412836534 925963441 /nfs/dbraw/zinc/96/34/41/925963441.db2.gz DZSJFCIRBTUZAJ-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001412836534 925963443 /nfs/dbraw/zinc/96/34/43/925963443.db2.gz DZSJFCIRBTUZAJ-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412848758 925967509 /nfs/dbraw/zinc/96/75/09/925967509.db2.gz OPKGAUDEQZFSRP-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1n[nH]cc1F ZINC001412857381 925968790 /nfs/dbraw/zinc/96/87/90/925968790.db2.gz JKCRYCRDQNMCHA-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860142 925970903 /nfs/dbraw/zinc/97/09/03/925970903.db2.gz AXMOBDHKZLWPTO-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860142 925970911 /nfs/dbraw/zinc/97/09/11/925970911.db2.gz AXMOBDHKZLWPTO-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)C)C1 ZINC001412861794 925971967 /nfs/dbraw/zinc/97/19/67/925971967.db2.gz DQXQWARYOJSEMP-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)C)C1 ZINC001412861794 925971971 /nfs/dbraw/zinc/97/19/71/925971971.db2.gz DQXQWARYOJSEMP-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)CCC1 ZINC001412872263 925972260 /nfs/dbraw/zinc/97/22/60/925972260.db2.gz BQDWZFJVOSUHCQ-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCOC)C1 ZINC001412870843 925972285 /nfs/dbraw/zinc/97/22/85/925972285.db2.gz RGORLEQAONJBPY-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCOC)C1 ZINC001412870843 925972291 /nfs/dbraw/zinc/97/22/91/925972291.db2.gz RGORLEQAONJBPY-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO COC(=O)NCC(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001412884168 925977042 /nfs/dbraw/zinc/97/70/42/925977042.db2.gz RHQBFGRRTAXQHW-JTQLQIEISA-N 1 1 318.374 -1.724 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001412898005 925978483 /nfs/dbraw/zinc/97/84/83/925978483.db2.gz IKEUBMGAWIEDPM-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001412904058 925980008 /nfs/dbraw/zinc/98/00/08/925980008.db2.gz GNGLDDADXZSOHF-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001412903084 925980310 /nfs/dbraw/zinc/98/03/10/925980310.db2.gz LBJLSIOXDIDRIU-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001412905151 925980593 /nfs/dbraw/zinc/98/05/93/925980593.db2.gz ICYGAAHVKHLVER-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001412909723 925981051 /nfs/dbraw/zinc/98/10/51/925981051.db2.gz WSTCEYKGJYPAKU-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1cncn1C ZINC001412911461 925981957 /nfs/dbraw/zinc/98/19/57/925981957.db2.gz VGINSOZKQBIMSA-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1ccnc1 ZINC001412914442 925982837 /nfs/dbraw/zinc/98/28/37/925982837.db2.gz GZYQKQCZSHBZBY-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412918947 925984704 /nfs/dbraw/zinc/98/47/04/925984704.db2.gz VFHZRPHSBQMWRX-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918947 925984709 /nfs/dbraw/zinc/98/47/09/925984709.db2.gz VFHZRPHSBQMWRX-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918947 925984712 /nfs/dbraw/zinc/98/47/12/925984712.db2.gz VFHZRPHSBQMWRX-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO COCC[N@H+](CCc1cn(CC(=O)OC)nn1)[C@@H](C)C(N)=O ZINC001412945510 925989316 /nfs/dbraw/zinc/98/93/16/925989316.db2.gz WSLJHZYZZRPITK-JTQLQIEISA-N 1 1 313.358 -1.184 20 0 DAADMO COCC[N@@H+](CCc1cn(CC(=O)OC)nn1)[C@@H](C)C(N)=O ZINC001412945510 925989323 /nfs/dbraw/zinc/98/93/23/925989323.db2.gz WSLJHZYZZRPITK-JTQLQIEISA-N 1 1 313.358 -1.184 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001412955772 925991833 /nfs/dbraw/zinc/99/18/33/925991833.db2.gz XOJVRNJFHQYKFJ-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001412955772 925991839 /nfs/dbraw/zinc/99/18/39/925991839.db2.gz XOJVRNJFHQYKFJ-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO C[C@@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976700 925997622 /nfs/dbraw/zinc/99/76/22/925997622.db2.gz WNBIUAUAGPXBQL-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001412991168 925998458 /nfs/dbraw/zinc/99/84/58/925998458.db2.gz CSCKLKGUANGKMI-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001412991168 925998467 /nfs/dbraw/zinc/99/84/67/925998467.db2.gz CSCKLKGUANGKMI-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001412991168 925998476 /nfs/dbraw/zinc/99/84/76/925998476.db2.gz CSCKLKGUANGKMI-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001412991610 925998709 /nfs/dbraw/zinc/99/87/09/925998709.db2.gz LDRYGBNMSSJBKI-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@]1(CO)CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001412991610 925998715 /nfs/dbraw/zinc/99/87/15/925998715.db2.gz LDRYGBNMSSJBKI-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CCCO)C2)c(=O)n(C)c1=O ZINC001413013994 926002552 /nfs/dbraw/zinc/00/25/52/926002552.db2.gz SEIPRAONURRPGB-JTQLQIEISA-N 1 1 324.381 -1.057 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](CCCO)C2)c(=O)n(C)c1=O ZINC001413013994 926002557 /nfs/dbraw/zinc/00/25/57/926002557.db2.gz SEIPRAONURRPGB-JTQLQIEISA-N 1 1 324.381 -1.057 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)C2(O)CCOCC2)C[C@H]1C(N)=O ZINC001413026288 926003827 /nfs/dbraw/zinc/00/38/27/926003827.db2.gz KTVKILFWYNJWNK-KXUCPTDWSA-N 1 1 301.343 -2.593 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC001413016954 926004118 /nfs/dbraw/zinc/00/41/18/926004118.db2.gz ZKJMQCWHKLXEJI-SECBINFHSA-N 1 1 314.342 -1.414 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC001413016955 926004173 /nfs/dbraw/zinc/00/41/73/926004173.db2.gz ZKJMQCWHKLXEJI-VIFPVBQESA-N 1 1 314.342 -1.414 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001413062170 926008374 /nfs/dbraw/zinc/00/83/74/926008374.db2.gz DLVQZTGOCYOSLE-SNVBAGLBSA-N 1 1 311.429 -1.368 20 0 DAADMO COC(=O)[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C(=O)OC ZINC001413090798 926010111 /nfs/dbraw/zinc/01/01/11/926010111.db2.gz PZNLOFCCAASSTP-RKDXNWHRSA-N 1 1 308.356 -1.570 20 0 DAADMO CN(CCCN1CC[NH+](C)CC1)Cc1cn(CC(N)=O)nn1 ZINC001413201744 926016495 /nfs/dbraw/zinc/01/64/95/926016495.db2.gz FXSIILIWFZXOML-UHFFFAOYSA-N 1 1 309.418 -1.167 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC001413227469 926018974 /nfs/dbraw/zinc/01/89/74/926018974.db2.gz UIXPZOHPQNWQJS-WDEREUQCSA-N 1 1 322.369 -1.743 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(C)(F)F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001413244387 926021265 /nfs/dbraw/zinc/02/12/65/926021265.db2.gz FKTCAIRGPUBZJP-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(C)(F)F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001413244387 926021276 /nfs/dbraw/zinc/02/12/76/926021276.db2.gz FKTCAIRGPUBZJP-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001413245815 926021738 /nfs/dbraw/zinc/02/17/38/926021738.db2.gz HSTNXWVAYJBVBW-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001413245815 926021748 /nfs/dbraw/zinc/02/17/48/926021748.db2.gz HSTNXWVAYJBVBW-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001413245822 926022042 /nfs/dbraw/zinc/02/20/42/926022042.db2.gz HSTNXWVAYJBVBW-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001413245822 926022053 /nfs/dbraw/zinc/02/20/53/926022053.db2.gz HSTNXWVAYJBVBW-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413265277 926025200 /nfs/dbraw/zinc/02/52/00/926025200.db2.gz LCYPHOXLKDDAIY-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001413270486 926025425 /nfs/dbraw/zinc/02/54/25/926025425.db2.gz NBMMHSNAAFSQPV-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001413270486 926025435 /nfs/dbraw/zinc/02/54/35/926025435.db2.gz NBMMHSNAAFSQPV-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001413270486 926025445 /nfs/dbraw/zinc/02/54/45/926025445.db2.gz NBMMHSNAAFSQPV-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001413270486 926025454 /nfs/dbraw/zinc/02/54/54/926025454.db2.gz NBMMHSNAAFSQPV-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001413270486 926025462 /nfs/dbraw/zinc/02/54/62/926025462.db2.gz NBMMHSNAAFSQPV-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)CNC(N)=O ZINC001413273340 926026650 /nfs/dbraw/zinc/02/66/50/926026650.db2.gz UZTILKQHWUXKOO-JTQLQIEISA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413274167 926027188 /nfs/dbraw/zinc/02/71/88/926027188.db2.gz YVGYBYPKXSFJMR-RYUDHWBXSA-N 1 1 321.381 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnon1 ZINC001413293485 926027711 /nfs/dbraw/zinc/02/77/11/926027711.db2.gz AWIUQLIAFBLQFY-JTQLQIEISA-N 1 1 322.325 -1.176 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001413289280 926028255 /nfs/dbraw/zinc/02/82/55/926028255.db2.gz UQUNSYNCCZSCOH-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001413289280 926028266 /nfs/dbraw/zinc/02/82/66/926028266.db2.gz UQUNSYNCCZSCOH-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001413289280 926028274 /nfs/dbraw/zinc/02/82/74/926028274.db2.gz UQUNSYNCCZSCOH-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001413288241 926028431 /nfs/dbraw/zinc/02/84/31/926028431.db2.gz GXIJWOSBYMUHFK-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001413289129 926029284 /nfs/dbraw/zinc/02/92/84/926029284.db2.gz UQUNSYNCCZSCOH-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001413289129 926029288 /nfs/dbraw/zinc/02/92/88/926029288.db2.gz UQUNSYNCCZSCOH-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001413289129 926029298 /nfs/dbraw/zinc/02/92/98/926029298.db2.gz UQUNSYNCCZSCOH-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO COC[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)C(N)=O ZINC001413318315 926033049 /nfs/dbraw/zinc/03/30/49/926033049.db2.gz KQTXOUTWBJYAPY-PWSUYJOCSA-N 1 1 305.400 -1.108 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001413311014 926033924 /nfs/dbraw/zinc/03/39/24/926033924.db2.gz XDCDBKJCLVKVKU-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001413311999 926033967 /nfs/dbraw/zinc/03/39/67/926033967.db2.gz XBXRWWGAKGRYMZ-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1cnc[nH]1 ZINC001413341243 926038964 /nfs/dbraw/zinc/03/89/64/926038964.db2.gz QCNYFNWFNYFQHD-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](CO)NC(N)=O ZINC001413358211 926044001 /nfs/dbraw/zinc/04/40/01/926044001.db2.gz SQBCERJGIKEHEC-SECBINFHSA-N 1 1 301.347 -2.752 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001413392227 926047965 /nfs/dbraw/zinc/04/79/65/926047965.db2.gz LIOKOFDJDDJWRU-FRRDWIJNSA-N 1 1 321.381 -1.401 20 0 DAADMO CS(=O)(=O)CC1(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC001413417723 926050290 /nfs/dbraw/zinc/05/02/90/926050290.db2.gz DIYISSXAIHQYCX-ZDUSSCGKSA-N 1 1 320.411 -1.332 20 0 DAADMO O=C(CNC(=O)c1cccc(O)c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001413418169 926051876 /nfs/dbraw/zinc/05/18/76/926051876.db2.gz DZMLERRDUMHTHQ-OAHLLOKOSA-N 1 1 323.349 -1.411 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCCS1(=O)=O ZINC001413425554 926052230 /nfs/dbraw/zinc/05/22/30/926052230.db2.gz WZOTURANYDYOII-VXGBXAGGSA-N 1 1 306.384 -1.579 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001413436092 926053397 /nfs/dbraw/zinc/05/33/97/926053397.db2.gz KHGXGOKQEPAZNT-UHFFFAOYSA-N 1 1 301.368 -1.012 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC001413436092 926053403 /nfs/dbraw/zinc/05/34/03/926053403.db2.gz KHGXGOKQEPAZNT-UHFFFAOYSA-N 1 1 301.368 -1.012 20 0 DAADMO C[C@H](C(=O)NCc1cn(C)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001413458763 926056931 /nfs/dbraw/zinc/05/69/31/926056931.db2.gz WCJGASDKMCMKRO-SNVBAGLBSA-N 1 1 309.370 -1.262 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001413480915 926058538 /nfs/dbraw/zinc/05/85/38/926058538.db2.gz MQIRSLGQCIKIEE-GHMZBOCLSA-N 1 1 320.415 -1.821 20 0 DAADMO C[C@@H](O)c1cn(CC(=O)N2CCN(C3C[NH+](C)C3)CC2)nn1 ZINC001413545490 926062990 /nfs/dbraw/zinc/06/29/90/926062990.db2.gz IZRPRPYJPSZLAI-LLVKDONJSA-N 1 1 308.386 -1.210 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CNC(=O)C2)CC1 ZINC001413687449 926069916 /nfs/dbraw/zinc/06/99/16/926069916.db2.gz RRSCFYPUSSNZKE-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)C[C@@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001413685386 926070016 /nfs/dbraw/zinc/07/00/16/926070016.db2.gz MVGBYILQJMXZGO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001413730459 926071675 /nfs/dbraw/zinc/07/16/75/926071675.db2.gz PNEVCUIIOQMZHC-GFCCVEGCSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001413732084 926073660 /nfs/dbraw/zinc/07/36/60/926073660.db2.gz ZRKSVJILEORCNL-UHFFFAOYSA-N 1 1 308.404 -1.315 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)NC(N)=O ZINC001413810049 926077323 /nfs/dbraw/zinc/07/73/23/926077323.db2.gz HTDLVPHOXXDSKK-UHIISALHSA-N 1 1 314.386 -1.225 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)NC(N)=O ZINC001413810046 926077466 /nfs/dbraw/zinc/07/74/66/926077466.db2.gz HTDLVPHOXXDSKK-COPLHBTASA-N 1 1 314.386 -1.225 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc3n[nH]nc3n2)CC1 ZINC001413810066 926077675 /nfs/dbraw/zinc/07/76/75/926077675.db2.gz HXVJTZIKRGPJQM-UHFFFAOYSA-N 1 1 303.326 -1.143 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001413817013 926078197 /nfs/dbraw/zinc/07/81/97/926078197.db2.gz ROHRDUASQKYDHR-UHFFFAOYSA-N 1 1 321.403 -2.727 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H]1C(N)=O ZINC001413858273 926080484 /nfs/dbraw/zinc/08/04/84/926080484.db2.gz MXVNCQUNFYLSPC-MXWKQRLJSA-N 1 1 309.370 -2.579 20 0 DAADMO Cn1cc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001413945612 926085222 /nfs/dbraw/zinc/08/52/22/926085222.db2.gz DWFYDUIJBGQWMU-CYBMUJFWSA-N 1 1 311.342 -1.648 20 0 DAADMO CN(C)C(=O)CCC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001413950287 926086889 /nfs/dbraw/zinc/08/68/89/926086889.db2.gz DQTNVBCYUBKIEK-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC001413958637 926087509 /nfs/dbraw/zinc/08/75/09/926087509.db2.gz SEUQDIFPQGFTHJ-WDEREUQCSA-N 1 1 307.416 -1.233 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC001413958054 926087705 /nfs/dbraw/zinc/08/77/05/926087705.db2.gz UOTHIRDOCSBKPT-NSHDSACASA-N 1 1 317.411 -1.012 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC001413958622 926088243 /nfs/dbraw/zinc/08/82/43/926088243.db2.gz SEUQDIFPQGFTHJ-GHMZBOCLSA-N 1 1 307.416 -1.233 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@@H+](CCO)CCN1CCOCC1 ZINC001413965018 926089463 /nfs/dbraw/zinc/08/94/63/926089463.db2.gz UVQKUPXFDXOYAM-ZDUSSCGKSA-N 1 1 304.387 -1.073 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001413969494 926091200 /nfs/dbraw/zinc/09/12/00/926091200.db2.gz DUOFCJCJLOYFFP-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001413970545 926091268 /nfs/dbraw/zinc/09/12/68/926091268.db2.gz YYUJHKMKOPOSPR-VXGBXAGGSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)CC1 ZINC001413981769 926092923 /nfs/dbraw/zinc/09/29/23/926092923.db2.gz XBWRHCOYQNXUAE-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC1 ZINC001413981769 926092927 /nfs/dbraw/zinc/09/29/27/926092927.db2.gz XBWRHCOYQNXUAE-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001413988869 926093516 /nfs/dbraw/zinc/09/35/16/926093516.db2.gz YGWJSAKHNINSFM-NEPJUHHUSA-N 1 1 322.427 -1.111 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC001413997754 926093794 /nfs/dbraw/zinc/09/37/94/926093794.db2.gz FAHCGSCTVQFLIS-ZANVPECISA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC001413997754 926093799 /nfs/dbraw/zinc/09/37/99/926093799.db2.gz FAHCGSCTVQFLIS-ZANVPECISA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)[C@H]1CN(CCS(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC001414002665 926094545 /nfs/dbraw/zinc/09/45/45/926094545.db2.gz ZOKGJWOFJUFFRP-LLVKDONJSA-N 1 1 307.416 -1.086 20 0 DAADMO NC(=O)C[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015576 926095629 /nfs/dbraw/zinc/09/56/29/926095629.db2.gz MRBBZJRYMGBNEY-VXGBXAGGSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015576 926095632 /nfs/dbraw/zinc/09/56/32/926095632.db2.gz MRBBZJRYMGBNEY-VXGBXAGGSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@H]1C[N@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015564 926095661 /nfs/dbraw/zinc/09/56/61/926095661.db2.gz MRBBZJRYMGBNEY-NEPJUHHUSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015564 926095670 /nfs/dbraw/zinc/09/56/70/926095670.db2.gz MRBBZJRYMGBNEY-NEPJUHHUSA-N 1 1 302.371 -1.145 20 0 DAADMO CC1(C)CN(C(=O)C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CCO1 ZINC001414017379 926095845 /nfs/dbraw/zinc/09/58/45/926095845.db2.gz OGJULFPOKMSZEF-AOOOYVTPSA-N 1 1 312.370 -1.858 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001414015115 926096224 /nfs/dbraw/zinc/09/62/24/926096224.db2.gz CLMQZJVDTRRIJN-DTORHVGOSA-N 1 1 304.372 -2.604 20 0 DAADMO C[C@H]1COCC[N@@H+]1CCN1CCOC[C@@H]1CNS(C)(=O)=O ZINC001414014717 926096456 /nfs/dbraw/zinc/09/64/56/926096456.db2.gz BZEWJAZECOBJRN-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@H]1COCC[N@H+]1CCN1CCOC[C@@H]1CNS(C)(=O)=O ZINC001414014717 926096466 /nfs/dbraw/zinc/09/64/66/926096466.db2.gz BZEWJAZECOBJRN-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001414039692 926098637 /nfs/dbraw/zinc/09/86/37/926098637.db2.gz YXBKHPPPGISYES-OLZOCXBDSA-N 1 1 311.382 -1.505 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001414039692 926098646 /nfs/dbraw/zinc/09/86/46/926098646.db2.gz YXBKHPPPGISYES-OLZOCXBDSA-N 1 1 311.382 -1.505 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001414039390 926100062 /nfs/dbraw/zinc/10/00/62/926100062.db2.gz XTYLXLHGULLOGJ-IJLUTSLNSA-N 1 1 308.400 -1.501 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O ZINC001414057541 926103604 /nfs/dbraw/zinc/10/36/04/926103604.db2.gz ZNMBNBDIWKFBCM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001414057541 926103610 /nfs/dbraw/zinc/10/36/10/926103610.db2.gz ZNMBNBDIWKFBCM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001414057541 926103618 /nfs/dbraw/zinc/10/36/18/926103618.db2.gz ZNMBNBDIWKFBCM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001414051608 926104153 /nfs/dbraw/zinc/10/41/53/926104153.db2.gz QXUYVVJEERMYOS-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001414057139 926104612 /nfs/dbraw/zinc/10/46/12/926104612.db2.gz YEFNPUYDTKLLNP-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO COC(=O)[C@]12C[N@H+](Cc3cn(CC(N)=O)nn3)C[C@H]1COCC2 ZINC001414147770 926109360 /nfs/dbraw/zinc/10/93/60/926109360.db2.gz INDCCBWQUGJUCF-IINYFYTJSA-N 1 1 323.353 -1.225 20 0 DAADMO COC(=O)[C@]12C[N@@H+](Cc3cn(CC(N)=O)nn3)C[C@H]1COCC2 ZINC001414147770 926109364 /nfs/dbraw/zinc/10/93/64/926109364.db2.gz INDCCBWQUGJUCF-IINYFYTJSA-N 1 1 323.353 -1.225 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001414354563 926121168 /nfs/dbraw/zinc/12/11/68/926121168.db2.gz ARHJDILKKJIVAM-PWSUYJOCSA-N 1 1 324.385 -1.164 20 0 DAADMO Cn1ncc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1=O ZINC001414511073 926128583 /nfs/dbraw/zinc/12/85/83/926128583.db2.gz GNYQFUHLTPARMR-UHFFFAOYSA-N 1 1 308.342 -1.324 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001414505297 926129068 /nfs/dbraw/zinc/12/90/68/926129068.db2.gz SGSCSANWFLJZIK-UHFFFAOYSA-N 1 1 322.369 -1.209 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C1CCC1 ZINC001414526443 926129798 /nfs/dbraw/zinc/12/97/98/926129798.db2.gz SVBBCYHVQDAFKU-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001414531167 926130235 /nfs/dbraw/zinc/13/02/35/926130235.db2.gz BDLQDROIDKAQTB-JQWIXIFHSA-N 1 1 305.400 -1.213 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001414558556 926131834 /nfs/dbraw/zinc/13/18/34/926131834.db2.gz SYRGSOFJPULWRM-NEPJUHHUSA-N 1 1 322.417 -1.077 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001414800100 926149131 /nfs/dbraw/zinc/14/91/31/926149131.db2.gz SYUOMDDJDRZXNN-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)CNC(N)=O)C1CC1 ZINC001414840949 926150163 /nfs/dbraw/zinc/15/01/63/926150163.db2.gz DINVQOHGYGSIJS-WDEREUQCSA-N 1 1 311.386 -1.240 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001414929953 926153749 /nfs/dbraw/zinc/15/37/49/926153749.db2.gz PGOFYZSGUMGGRR-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001415002990 926155981 /nfs/dbraw/zinc/15/59/81/926155981.db2.gz XZVQZVVMUSNOAU-MMWGEVLESA-N 1 1 311.386 -1.099 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001415052124 926157784 /nfs/dbraw/zinc/15/77/84/926157784.db2.gz LLOTVAJKFKNXGP-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415165781 926167653 /nfs/dbraw/zinc/16/76/53/926167653.db2.gz HPJZIAGUZLEYDE-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415165778 926167722 /nfs/dbraw/zinc/16/77/22/926167722.db2.gz HPJZIAGUZLEYDE-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)N2CCC2)C3)n1 ZINC001415235033 926171955 /nfs/dbraw/zinc/17/19/55/926171955.db2.gz YGSMEOWAWFHNKN-UHFFFAOYSA-N 1 1 319.369 -1.410 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N2CCC2)C3)n1 ZINC001415235033 926171960 /nfs/dbraw/zinc/17/19/60/926171960.db2.gz YGSMEOWAWFHNKN-UHFFFAOYSA-N 1 1 319.369 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001415409128 926178689 /nfs/dbraw/zinc/17/86/89/926178689.db2.gz XVQFRZLCJHPWIA-MWLCHTKSSA-N 1 1 322.369 -1.116 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001415409127 926178967 /nfs/dbraw/zinc/17/89/67/926178967.db2.gz XVQFRZLCJHPWIA-KOLCDFICSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001415390678 926179255 /nfs/dbraw/zinc/17/92/55/926179255.db2.gz NDJOGMAQBGWQPO-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn(C)c1 ZINC001415465981 926183217 /nfs/dbraw/zinc/18/32/17/926183217.db2.gz QZZIMEGTGQPBIU-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn(C)c1 ZINC001415465981 926183222 /nfs/dbraw/zinc/18/32/22/926183222.db2.gz QZZIMEGTGQPBIU-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415468258 926183463 /nfs/dbraw/zinc/18/34/63/926183463.db2.gz FKDNDHCKDYYMME-NEPJUHHUSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415468258 926183469 /nfs/dbraw/zinc/18/34/69/926183469.db2.gz FKDNDHCKDYYMME-NEPJUHHUSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415468259 926183950 /nfs/dbraw/zinc/18/39/50/926183950.db2.gz FKDNDHCKDYYMME-NWDGAFQWSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415468259 926183958 /nfs/dbraw/zinc/18/39/58/926183958.db2.gz FKDNDHCKDYYMME-NWDGAFQWSA-N 1 1 317.386 -1.447 20 0 DAADMO CN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1CCC[N@H+]1C ZINC001415471327 926184992 /nfs/dbraw/zinc/18/49/92/926184992.db2.gz XCCMNWQBAWBNLJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccncn1 ZINC001415470539 926185215 /nfs/dbraw/zinc/18/52/15/926185215.db2.gz OBKQFINURBOISL-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccncn1 ZINC001415470539 926185223 /nfs/dbraw/zinc/18/52/23/926185223.db2.gz OBKQFINURBOISL-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CNC(=O)N1 ZINC001415468876 926185489 /nfs/dbraw/zinc/18/54/89/926185489.db2.gz HTYXKIGMSXYXTP-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CNC(=O)N1 ZINC001415468876 926185493 /nfs/dbraw/zinc/18/54/93/926185493.db2.gz HTYXKIGMSXYXTP-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001415504255 926189014 /nfs/dbraw/zinc/18/90/14/926189014.db2.gz XSDXRCBJTFIMOX-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001415552550 926192886 /nfs/dbraw/zinc/19/28/86/926192886.db2.gz KMPKMPRCUTWBNM-JTQLQIEISA-N 1 1 308.342 -1.552 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)Cn1c[nH+]cc1C ZINC001415553630 926193451 /nfs/dbraw/zinc/19/34/51/926193451.db2.gz RFTLGEFEFNSXPT-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CCN(CCNC(=O)CCNC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415669472 926200229 /nfs/dbraw/zinc/20/02/29/926200229.db2.gz FAUJJOMYMSFUKQ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001415697715 926202523 /nfs/dbraw/zinc/20/25/23/926202523.db2.gz NHBYXENADJXCHP-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO Cn1nnc(C(=O)N(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001415854938 926207155 /nfs/dbraw/zinc/20/71/55/926207155.db2.gz DBFLEWVVWKCIPZ-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415977796 926211646 /nfs/dbraw/zinc/21/16/46/926211646.db2.gz KDMLHGQNOPUXJM-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415991525 926214922 /nfs/dbraw/zinc/21/49/22/926214922.db2.gz FQNMHMBRFUBRMI-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001416024250 926219816 /nfs/dbraw/zinc/21/98/16/926219816.db2.gz WCOGFFLXQKRADA-VIFPVBQESA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001416037213 926220589 /nfs/dbraw/zinc/22/05/89/926220589.db2.gz DFZMBRHNYRLALD-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001416065879 926224489 /nfs/dbraw/zinc/22/44/89/926224489.db2.gz MGWFQIRTVZJOEN-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001416078687 926225453 /nfs/dbraw/zinc/22/54/53/926225453.db2.gz NUOWADOVTKLMOW-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416216373 926233281 /nfs/dbraw/zinc/23/32/81/926233281.db2.gz KLOYTNSNSRGFFF-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416216373 926233291 /nfs/dbraw/zinc/23/32/91/926233291.db2.gz KLOYTNSNSRGFFF-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)Cn1ncnn1 ZINC001416249409 926235226 /nfs/dbraw/zinc/23/52/26/926235226.db2.gz LNWSTKIHVYXWMF-NSHDSACASA-N 1 1 320.357 -1.111 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001416226328 926235597 /nfs/dbraw/zinc/23/55/97/926235597.db2.gz UHTCRHJIJSFOFK-QWRGUYRKSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001416423254 926239410 /nfs/dbraw/zinc/23/94/10/926239410.db2.gz AXQIPSMHXKWTNR-NEPJUHHUSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001416423257 926239918 /nfs/dbraw/zinc/23/99/18/926239918.db2.gz AXQIPSMHXKWTNR-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001416654476 926244783 /nfs/dbraw/zinc/24/47/83/926244783.db2.gz OIHHJCDBDQUOFQ-LLVKDONJSA-N 1 1 310.358 -1.334 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001416654476 926244794 /nfs/dbraw/zinc/24/47/94/926244794.db2.gz OIHHJCDBDQUOFQ-LLVKDONJSA-N 1 1 310.358 -1.334 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416736927 926255828 /nfs/dbraw/zinc/25/58/28/926255828.db2.gz GAIJLKAWOXTDRT-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416736927 926255838 /nfs/dbraw/zinc/25/58/38/926255838.db2.gz GAIJLKAWOXTDRT-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001416741163 926259554 /nfs/dbraw/zinc/25/95/54/926259554.db2.gz LBIMEBBWAJIDSD-UWVGGRQHSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001416741251 926260037 /nfs/dbraw/zinc/26/00/37/926260037.db2.gz LMTYEDQFFRBXTA-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001416740418 926260075 /nfs/dbraw/zinc/26/00/75/926260075.db2.gz KIPAWYMSXCHDNL-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416743614 926261805 /nfs/dbraw/zinc/26/18/05/926261805.db2.gz PFJLZEXCCXYSMN-UWVGGRQHSA-N 1 1 310.358 -1.586 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)c1N ZINC001416747175 926262317 /nfs/dbraw/zinc/26/23/17/926262317.db2.gz ZVUXQOZXSJFWFK-ONGXEEELSA-N 1 1 324.385 -1.697 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001416760681 926267274 /nfs/dbraw/zinc/26/72/74/926267274.db2.gz WQIMQEQIZQVFMT-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001416759247 926268354 /nfs/dbraw/zinc/26/83/54/926268354.db2.gz FBIOPDQFAILJQJ-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001416766031 926269835 /nfs/dbraw/zinc/26/98/35/926269835.db2.gz YFOTWDRPIWXSEG-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001416766031 926269843 /nfs/dbraw/zinc/26/98/43/926269843.db2.gz YFOTWDRPIWXSEG-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001416766031 926269853 /nfs/dbraw/zinc/26/98/53/926269853.db2.gz YFOTWDRPIWXSEG-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771946 926270440 /nfs/dbraw/zinc/27/04/40/926270440.db2.gz WOXRQVWTOBILHJ-GXSJLCMTSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771825 926270803 /nfs/dbraw/zinc/27/08/03/926270803.db2.gz RUTIIPFWHLVTCN-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771825 926270809 /nfs/dbraw/zinc/27/08/09/926270809.db2.gz RUTIIPFWHLVTCN-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771825 926270816 /nfs/dbraw/zinc/27/08/16/926270816.db2.gz RUTIIPFWHLVTCN-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771823 926271100 /nfs/dbraw/zinc/27/11/00/926271100.db2.gz RUTIIPFWHLVTCN-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771823 926271111 /nfs/dbraw/zinc/27/11/11/926271111.db2.gz RUTIIPFWHLVTCN-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771823 926271122 /nfs/dbraw/zinc/27/11/22/926271122.db2.gz RUTIIPFWHLVTCN-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001416769708 926271343 /nfs/dbraw/zinc/27/13/43/926271343.db2.gz DDHFKMKWZVNWFA-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771948 926271804 /nfs/dbraw/zinc/27/18/04/926271804.db2.gz WOXRQVWTOBILHJ-MWLCHTKSSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001416773140 926272467 /nfs/dbraw/zinc/27/24/67/926272467.db2.gz PMLNTHFMRLFHDO-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001416778066 926272892 /nfs/dbraw/zinc/27/28/92/926272892.db2.gz OITMENOORRFYHK-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001416778058 926273441 /nfs/dbraw/zinc/27/34/41/926273441.db2.gz OITMENOORRFYHK-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001416778966 926275035 /nfs/dbraw/zinc/27/50/35/926275035.db2.gz QOIBHPZAMSZITP-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416796727 926276157 /nfs/dbraw/zinc/27/61/57/926276157.db2.gz UBRPDMRINUCCNG-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416796727 926276162 /nfs/dbraw/zinc/27/61/62/926276162.db2.gz UBRPDMRINUCCNG-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CCOCC1 ZINC001416803180 926277197 /nfs/dbraw/zinc/27/71/97/926277197.db2.gz DCYJIJUWAVEUML-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001416804815 926277980 /nfs/dbraw/zinc/27/79/80/926277980.db2.gz NKSIJLNASWJBLJ-BDAKNGLRSA-N 1 1 310.358 -1.131 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416815351 926278260 /nfs/dbraw/zinc/27/82/60/926278260.db2.gz BIOPRSSVBLHCAS-ZJUUUORDSA-N 1 1 310.358 -1.444 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CNC(=O)NC ZINC001416822966 926278734 /nfs/dbraw/zinc/27/87/34/926278734.db2.gz NKSUEXDLXVQSDN-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416822616 926278872 /nfs/dbraw/zinc/27/88/72/926278872.db2.gz LQEUSMAHIXRPMV-ZJUUUORDSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416822616 926278884 /nfs/dbraw/zinc/27/88/84/926278884.db2.gz LQEUSMAHIXRPMV-ZJUUUORDSA-N 1 1 315.374 -2.133 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1cnnn1 ZINC001416871321 926283898 /nfs/dbraw/zinc/28/38/98/926283898.db2.gz XQZZHKIRTVYSMT-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001416897319 926285782 /nfs/dbraw/zinc/28/57/82/926285782.db2.gz VCARLUGDZXWZQJ-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001416898388 926285828 /nfs/dbraw/zinc/28/58/28/926285828.db2.gz POIHYSFMMOROKF-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1nnn(C)n1 ZINC001416931204 926289422 /nfs/dbraw/zinc/28/94/22/926289422.db2.gz GPDPGLRPWYXNMX-IVZWLZJFSA-N 1 1 309.374 -1.215 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(NC(N)=O)CC2)C1 ZINC001417038326 926296062 /nfs/dbraw/zinc/29/60/62/926296062.db2.gz YYDRBSNDPSKYFJ-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2(NC(N)=O)CC2)C1 ZINC001417038330 926296304 /nfs/dbraw/zinc/29/63/04/926296304.db2.gz YYDRBSNDPSKYFJ-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001417143035 926303107 /nfs/dbraw/zinc/30/31/07/926303107.db2.gz SJSPIIWKEVZSIJ-SNVBAGLBSA-N 1 1 320.353 -1.362 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CN2CN=NC2=O)CC1 ZINC001417181193 926303812 /nfs/dbraw/zinc/30/38/12/926303812.db2.gz HRMWWDUZHGQAEK-SNVBAGLBSA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NCC1(NC(=O)CNC(N)=O)CC1)C1CCC1 ZINC001417155119 926304124 /nfs/dbraw/zinc/30/41/24/926304124.db2.gz QTOLOSSSRWNSDH-UHFFFAOYSA-N 1 1 311.386 -1.096 20 0 DAADMO CN1C[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001417181635 926304151 /nfs/dbraw/zinc/30/41/51/926304151.db2.gz KYTSPBCAWATVHU-GHMZBOCLSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001417145984 926304817 /nfs/dbraw/zinc/30/48/17/926304817.db2.gz XLCFBVONJJFULO-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001417250249 926309388 /nfs/dbraw/zinc/30/93/88/926309388.db2.gz VOZABVZMLZYQRH-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417253105 926309481 /nfs/dbraw/zinc/30/94/81/926309481.db2.gz RVHWTKFKEUWKKL-SNVBAGLBSA-N 1 1 311.386 -1.464 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)CCNC(N)=O)C1 ZINC001417264123 926311115 /nfs/dbraw/zinc/31/11/15/926311115.db2.gz TVTBTBCWSAKROD-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001417429156 926315223 /nfs/dbraw/zinc/31/52/23/926315223.db2.gz OYQUAPSGILHQEJ-BXUZGUMPSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001417429156 926315227 /nfs/dbraw/zinc/31/52/27/926315227.db2.gz OYQUAPSGILHQEJ-BXUZGUMPSA-N 1 1 315.370 -1.957 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC001417636325 926322790 /nfs/dbraw/zinc/32/27/90/926322790.db2.gz VXCOVJOCYFVBDD-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC001417636325 926322798 /nfs/dbraw/zinc/32/27/98/926322798.db2.gz VXCOVJOCYFVBDD-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC001417636325 926322807 /nfs/dbraw/zinc/32/28/07/926322807.db2.gz VXCOVJOCYFVBDD-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC001417636325 926322817 /nfs/dbraw/zinc/32/28/17/926322817.db2.gz VXCOVJOCYFVBDD-ZWNOBZJWSA-N 1 1 310.358 -1.054 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001417648184 926324487 /nfs/dbraw/zinc/32/44/87/926324487.db2.gz CZNDLPJWWUEUMQ-ZYHUDNBSSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001417648184 926324510 /nfs/dbraw/zinc/32/45/10/926324510.db2.gz CZNDLPJWWUEUMQ-ZYHUDNBSSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001417648184 926324522 /nfs/dbraw/zinc/32/45/22/926324522.db2.gz CZNDLPJWWUEUMQ-ZYHUDNBSSA-N 1 1 313.402 -2.011 20 0 DAADMO C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001417668486 926326001 /nfs/dbraw/zinc/32/60/01/926326001.db2.gz BGJDRWZZWKRKGL-ZYHUDNBSSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001417668486 926326008 /nfs/dbraw/zinc/32/60/08/926326008.db2.gz BGJDRWZZWKRKGL-ZYHUDNBSSA-N 1 1 312.370 -1.208 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](O)C(=O)OC)C1 ZINC001417701661 926328599 /nfs/dbraw/zinc/32/85/99/926328599.db2.gz SNUQKACKALSSQP-QWRGUYRKSA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](O)C(=O)OC)C1 ZINC001417701661 926328606 /nfs/dbraw/zinc/32/86/06/926328606.db2.gz SNUQKACKALSSQP-QWRGUYRKSA-N 1 1 316.354 -1.088 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCO)C(N)=O ZINC001417742345 926333443 /nfs/dbraw/zinc/33/34/43/926333443.db2.gz QARCRLXOFPNCAQ-MNOVXSKESA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCO ZINC001417750967 926334754 /nfs/dbraw/zinc/33/47/54/926334754.db2.gz YJJYTCHSVBAVPW-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001417750967 926334762 /nfs/dbraw/zinc/33/47/62/926334762.db2.gz YJJYTCHSVBAVPW-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001417749163 926335008 /nfs/dbraw/zinc/33/50/08/926335008.db2.gz JWSHAJQVUXBKAW-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001417760600 926335120 /nfs/dbraw/zinc/33/51/20/926335120.db2.gz PXIBQEVNIDAJBQ-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758122 926335283 /nfs/dbraw/zinc/33/52/83/926335283.db2.gz XKAXIUFNSVDQEV-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758122 926335291 /nfs/dbraw/zinc/33/52/91/926335291.db2.gz XKAXIUFNSVDQEV-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001417786812 926337200 /nfs/dbraw/zinc/33/72/00/926337200.db2.gz CZRYGHNBFOZJIX-MGCOHNPYSA-N 1 1 324.389 -1.486 20 0 DAADMO C[C@]1(C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CCOC1 ZINC001417820408 926338405 /nfs/dbraw/zinc/33/84/05/926338405.db2.gz KGWYBFKZPKRJHQ-AWEZNQCLSA-N 1 1 323.353 -1.200 20 0 DAADMO C[C@@]1(C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CCOC1 ZINC001417820410 926338446 /nfs/dbraw/zinc/33/84/46/926338446.db2.gz KGWYBFKZPKRJHQ-CQSZACIVSA-N 1 1 323.353 -1.200 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCCO2)n1 ZINC001417821237 926338995 /nfs/dbraw/zinc/33/89/95/926338995.db2.gz YPBVOSPVWGPMKV-JTQLQIEISA-N 1 1 323.353 -1.058 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001417839283 926340257 /nfs/dbraw/zinc/34/02/57/926340257.db2.gz GCABSKFERBTESD-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)[C@@H]1C ZINC001417842750 926340282 /nfs/dbraw/zinc/34/02/82/926340282.db2.gz JDGNERZVMZUEAU-AXFHLTTASA-N 1 1 307.416 -1.115 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001417838571 926340647 /nfs/dbraw/zinc/34/06/47/926340647.db2.gz ZTHMBMQAOHIOHK-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC001417838571 926340655 /nfs/dbraw/zinc/34/06/55/926340655.db2.gz ZTHMBMQAOHIOHK-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417829011 926340674 /nfs/dbraw/zinc/34/06/74/926340674.db2.gz GCXLZSIXRWSNGO-NSHDSACASA-N 1 1 314.386 -1.587 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417829011 926340683 /nfs/dbraw/zinc/34/06/83/926340683.db2.gz GCXLZSIXRWSNGO-NSHDSACASA-N 1 1 314.386 -1.587 20 0 DAADMO COC1CC(C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001417823269 926340730 /nfs/dbraw/zinc/34/07/30/926340730.db2.gz VTWCOYOHIBKLOI-UHFFFAOYSA-N 1 1 323.353 -1.202 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417832682 926340823 /nfs/dbraw/zinc/34/08/23/926340823.db2.gz HVNLDQZAPYPMIA-SNVBAGLBSA-N 1 1 310.358 -1.503 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417832682 926340833 /nfs/dbraw/zinc/34/08/33/926340833.db2.gz HVNLDQZAPYPMIA-SNVBAGLBSA-N 1 1 310.358 -1.503 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]2C1 ZINC001417834508 926340940 /nfs/dbraw/zinc/34/09/40/926340940.db2.gz OEGFEUYAIMGMDU-AXFHLTTASA-N 1 1 312.370 -1.004 20 0 DAADMO CC(=O)N1CCC[C@H]([N@H+](CCO)CCNS(C)(=O)=O)C1 ZINC001417827470 926341431 /nfs/dbraw/zinc/34/14/31/926341431.db2.gz AUWVUKACTACYIF-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)N1CCC[C@H]([N@@H+](CCO)CCNS(C)(=O)=O)C1 ZINC001417827470 926341442 /nfs/dbraw/zinc/34/14/42/926341442.db2.gz AUWVUKACTACYIF-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]2C1 ZINC001417834509 926342087 /nfs/dbraw/zinc/34/20/87/926342087.db2.gz OEGFEUYAIMGMDU-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001417905454 926344921 /nfs/dbraw/zinc/34/49/21/926344921.db2.gz MLHQPMHMEIHYHS-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001417905458 926345429 /nfs/dbraw/zinc/34/54/29/926345429.db2.gz MLHQPMHMEIHYHS-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001417905463 926345463 /nfs/dbraw/zinc/34/54/63/926345463.db2.gz MLHQPMHMEIHYHS-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCCN1CC[NH+](CCn2cncn2)CC1 ZINC001417913993 926347248 /nfs/dbraw/zinc/34/72/48/926347248.db2.gz DICOLBYOWGKSBO-UHFFFAOYSA-N 1 1 323.401 -1.852 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001417919286 926348674 /nfs/dbraw/zinc/34/86/74/926348674.db2.gz YEBAQIZVUSTFNY-STQMWFEESA-N 1 1 311.430 -1.312 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001417952006 926352227 /nfs/dbraw/zinc/35/22/27/926352227.db2.gz HOWXOTWKVWKDPL-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001417952006 926352234 /nfs/dbraw/zinc/35/22/34/926352234.db2.gz HOWXOTWKVWKDPL-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001417946458 926352396 /nfs/dbraw/zinc/35/23/96/926352396.db2.gz PKTDRQSHZSEACL-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001417946458 926352404 /nfs/dbraw/zinc/35/24/04/926352404.db2.gz PKTDRQSHZSEACL-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001417945143 926353045 /nfs/dbraw/zinc/35/30/45/926353045.db2.gz VCTFNCHPIOTOGS-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001417977936 926354496 /nfs/dbraw/zinc/35/44/96/926354496.db2.gz IHLNSPMKUUYEJN-JTQLQIEISA-N 1 1 324.389 -1.486 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001417975066 926354737 /nfs/dbraw/zinc/35/47/37/926354737.db2.gz KZFXLTZCRDCKEY-WPRPVWTQSA-N 1 1 309.374 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001417974952 926354994 /nfs/dbraw/zinc/35/49/94/926354994.db2.gz KZFXLTZCRDCKEY-WCBMZHEXSA-N 1 1 309.374 -1.144 20 0 DAADMO C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001417974564 926355449 /nfs/dbraw/zinc/35/54/49/926355449.db2.gz CIVLGMUZISZWKQ-PSASIEDQSA-N 1 1 324.389 -1.359 20 0 DAADMO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001417953330 926355856 /nfs/dbraw/zinc/35/58/56/926355856.db2.gz WIGVORVMBBSVLP-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001418021500 926356870 /nfs/dbraw/zinc/35/68/70/926356870.db2.gz TWHJBIDBYCLAHV-YPMHNXCESA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001418036800 926358661 /nfs/dbraw/zinc/35/86/61/926358661.db2.gz XGQVAPGVIAKQFQ-VIFPVBQESA-N 1 1 308.342 -1.022 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418039216 926358747 /nfs/dbraw/zinc/35/87/47/926358747.db2.gz OALXAZGLIPZFJQ-WPRPVWTQSA-N 1 1 308.342 -1.274 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001418031672 926360315 /nfs/dbraw/zinc/36/03/15/926360315.db2.gz VPPXLIGCNDDJOP-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001418125215 926365487 /nfs/dbraw/zinc/36/54/87/926365487.db2.gz RUSSYLNWZZGHPI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001418125215 926365498 /nfs/dbraw/zinc/36/54/98/926365498.db2.gz RUSSYLNWZZGHPI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418118712 926365739 /nfs/dbraw/zinc/36/57/39/926365739.db2.gz HQULLPIASUGOQI-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418123403 926365761 /nfs/dbraw/zinc/36/57/61/926365761.db2.gz IWWVVMMNYKNXPI-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001418120078 926365935 /nfs/dbraw/zinc/36/59/35/926365935.db2.gz MKKJMOIBKFYVCJ-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418124193 926366733 /nfs/dbraw/zinc/36/67/33/926366733.db2.gz LLNLIHBNIMASFB-NSHDSACASA-N 1 1 311.386 -2.268 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418124193 926366738 /nfs/dbraw/zinc/36/67/38/926366738.db2.gz LLNLIHBNIMASFB-NSHDSACASA-N 1 1 311.386 -2.268 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001418123710 926366747 /nfs/dbraw/zinc/36/67/47/926366747.db2.gz GDMGPPGVLBXTDO-SNVBAGLBSA-N 1 1 323.353 -1.738 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001418123710 926366753 /nfs/dbraw/zinc/36/67/53/926366753.db2.gz GDMGPPGVLBXTDO-SNVBAGLBSA-N 1 1 323.353 -1.738 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001418120975 926366836 /nfs/dbraw/zinc/36/68/36/926366836.db2.gz AUCJNWCTZIHHJL-ZDUSSCGKSA-N 1 1 312.414 -1.371 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001418119285 926367152 /nfs/dbraw/zinc/36/71/52/926367152.db2.gz BDPVTTGDQPCGLH-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001418119452 926367233 /nfs/dbraw/zinc/36/72/33/926367233.db2.gz BUWZPNNNAXQARU-STQMWFEESA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001418137833 926367721 /nfs/dbraw/zinc/36/77/21/926367721.db2.gz XDXAHFFZJVSYHK-NSHDSACASA-N 1 1 312.370 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001418173792 926368107 /nfs/dbraw/zinc/36/81/07/926368107.db2.gz RMJOUSAOCAQGMF-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001418173794 926368540 /nfs/dbraw/zinc/36/85/40/926368540.db2.gz RMJOUSAOCAQGMF-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)c1=O ZINC001418149953 926368809 /nfs/dbraw/zinc/36/88/09/926368809.db2.gz GIYZJUSAVIGHHB-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)c1=O ZINC001418149953 926368818 /nfs/dbraw/zinc/36/88/18/926368818.db2.gz GIYZJUSAVIGHHB-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001418176308 926368866 /nfs/dbraw/zinc/36/88/66/926368866.db2.gz ZMLZPVYNPZEJOM-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001418217062 926371883 /nfs/dbraw/zinc/37/18/83/926371883.db2.gz GZJPZCROVRLKIK-DTWKUNHWSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001418230864 926372370 /nfs/dbraw/zinc/37/23/70/926372370.db2.gz ARBQJKYUIXWYLV-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001418220785 926373107 /nfs/dbraw/zinc/37/31/07/926373107.db2.gz YHASRCGGZRNJCQ-DTWKUNHWSA-N 1 1 311.346 -1.214 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)CC1=O ZINC001418232270 926374026 /nfs/dbraw/zinc/37/40/26/926374026.db2.gz HMAPEOOKTRNJLG-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1nnnn1C ZINC001418236637 926374302 /nfs/dbraw/zinc/37/43/02/926374302.db2.gz QTWWEUAIUNCAMR-VIFPVBQESA-N 1 1 319.373 -1.027 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001418240825 926375172 /nfs/dbraw/zinc/37/51/72/926375172.db2.gz XWEXNZFQEWBYDY-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1nnnn1C ZINC001418236633 926375301 /nfs/dbraw/zinc/37/53/01/926375301.db2.gz QTWWEUAIUNCAMR-SECBINFHSA-N 1 1 319.373 -1.027 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001418250714 926376488 /nfs/dbraw/zinc/37/64/88/926376488.db2.gz RZOIJGBSJRJNCO-MRVPVSSYSA-N 1 1 321.341 -1.330 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418263182 926377562 /nfs/dbraw/zinc/37/75/62/926377562.db2.gz RZHRRQUHIWTYKE-ZJUUUORDSA-N 1 1 324.389 -1.299 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cnn(C)n1 ZINC001418306699 926379724 /nfs/dbraw/zinc/37/97/24/926379724.db2.gz FOFNTBBKMNUGLX-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001418317308 926381002 /nfs/dbraw/zinc/38/10/02/926381002.db2.gz VIBYJBAHMSYOPC-HTQZYQBOSA-N 1 1 319.391 -2.085 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001418317393 926381347 /nfs/dbraw/zinc/38/13/47/926381347.db2.gz VMQSTEWDDUUBDW-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001418311736 926381363 /nfs/dbraw/zinc/38/13/63/926381363.db2.gz AQUCVEQPIRHBGZ-NWDGAFQWSA-N 1 1 300.403 -1.205 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001418376375 926386484 /nfs/dbraw/zinc/38/64/84/926386484.db2.gz POUJTBRYSHINJZ-RKDXNWHRSA-N 1 1 323.357 -1.076 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001418397547 926387144 /nfs/dbraw/zinc/38/71/44/926387144.db2.gz XBNJEYUHXVVSMF-SECBINFHSA-N 1 1 309.374 -1.327 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)CCCO)C1 ZINC001418380396 926387412 /nfs/dbraw/zinc/38/74/12/926387412.db2.gz BYYXHHQOJPNMBJ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418377145 926387482 /nfs/dbraw/zinc/38/74/82/926387482.db2.gz XWNQCXAHZXSLAC-WDEREUQCSA-N 1 1 312.374 -1.246 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cc(C2CC2)nn1)CC(=O)NC(N)=O ZINC001418464797 926390221 /nfs/dbraw/zinc/39/02/21/926390221.db2.gz HAALLNHJLYFFMG-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cc(C2CC2)nn1)CC(=O)NC(N)=O ZINC001418464797 926390226 /nfs/dbraw/zinc/39/02/26/926390226.db2.gz HAALLNHJLYFFMG-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001418462142 926391116 /nfs/dbraw/zinc/39/11/16/926391116.db2.gz MJDJBROHMWVCMV-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001418462142 926391126 /nfs/dbraw/zinc/39/11/26/926391126.db2.gz MJDJBROHMWVCMV-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001418463954 926391314 /nfs/dbraw/zinc/39/13/14/926391314.db2.gz RXXOWSZLSSBLEB-LLVKDONJSA-N 1 1 312.370 -1.370 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001418456401 926391845 /nfs/dbraw/zinc/39/18/45/926391845.db2.gz SFVFHRSADBYUKZ-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001418456401 926391849 /nfs/dbraw/zinc/39/18/49/926391849.db2.gz SFVFHRSADBYUKZ-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)Cn2ncnn2)C1=O ZINC001418461615 926391961 /nfs/dbraw/zinc/39/19/61/926391961.db2.gz QFWWRFMYVYPORC-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)Cn2ncnn2)C1=O ZINC001418461615 926391967 /nfs/dbraw/zinc/39/19/67/926391967.db2.gz QFWWRFMYVYPORC-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418481648 926392762 /nfs/dbraw/zinc/39/27/62/926392762.db2.gz IYNSZWAMUMVWMN-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@@H](F)CC[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418481648 926392767 /nfs/dbraw/zinc/39/27/67/926392767.db2.gz IYNSZWAMUMVWMN-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCOC1 ZINC001418484381 926393413 /nfs/dbraw/zinc/39/34/13/926393413.db2.gz QDIHHWXCZHXDJE-SNVBAGLBSA-N 1 1 308.404 -1.875 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001418476657 926393686 /nfs/dbraw/zinc/39/36/86/926393686.db2.gz PPUQXUNYIUCULN-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001418498363 926395240 /nfs/dbraw/zinc/39/52/40/926395240.db2.gz MGJSRIRKMKDJQZ-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001418498363 926395244 /nfs/dbraw/zinc/39/52/44/926395244.db2.gz MGJSRIRKMKDJQZ-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO Cc1nc(C(=O)NCC[N@@H+](C)CCCO)nn1-c1nc[nH]n1 ZINC001418485766 926395348 /nfs/dbraw/zinc/39/53/48/926395348.db2.gz ZFPGIZRVAIYIEE-UHFFFAOYSA-N 1 1 308.346 -1.262 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001418499609 926395575 /nfs/dbraw/zinc/39/55/75/926395575.db2.gz VRVABBDQHOZYJY-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001418499609 926395580 /nfs/dbraw/zinc/39/55/80/926395580.db2.gz VRVABBDQHOZYJY-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496312 926395803 /nfs/dbraw/zinc/39/58/03/926395803.db2.gz RDVWVVZDILZMNU-UWVGGRQHSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496312 926395811 /nfs/dbraw/zinc/39/58/11/926395811.db2.gz RDVWVVZDILZMNU-UWVGGRQHSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496279 926396117 /nfs/dbraw/zinc/39/61/17/926396117.db2.gz RDVWVVZDILZMNU-NXEZZACHSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496279 926396129 /nfs/dbraw/zinc/39/61/29/926396129.db2.gz RDVWVVZDILZMNU-NXEZZACHSA-N 1 1 320.415 -1.604 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488520 926396229 /nfs/dbraw/zinc/39/62/29/926396229.db2.gz PZTAKLPNYNPLCK-VHSXEESVSA-N 1 1 320.415 -1.905 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488520 926396233 /nfs/dbraw/zinc/39/62/33/926396233.db2.gz PZTAKLPNYNPLCK-VHSXEESVSA-N 1 1 320.415 -1.905 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001418502308 926396793 /nfs/dbraw/zinc/39/67/93/926396793.db2.gz PXRBSVQRIDADDD-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001418502308 926396800 /nfs/dbraw/zinc/39/68/00/926396800.db2.gz PXRBSVQRIDADDD-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)[C@H]1CCNC1=O ZINC001418513616 926398104 /nfs/dbraw/zinc/39/81/04/926398104.db2.gz QCNLNAZFKWVKEB-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)[C@H]1CCNC1=O ZINC001418513616 926398111 /nfs/dbraw/zinc/39/81/11/926398111.db2.gz QCNLNAZFKWVKEB-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001418505864 926398883 /nfs/dbraw/zinc/39/88/83/926398883.db2.gz UPWAKNYQBPXTKM-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001418505864 926398895 /nfs/dbraw/zinc/39/88/95/926398895.db2.gz UPWAKNYQBPXTKM-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001418513067 926399372 /nfs/dbraw/zinc/39/93/72/926399372.db2.gz MSSSFAWKIIILAO-NXEZZACHSA-N 1 1 313.362 -2.393 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1ccnn1)CC(=O)NC(N)=O ZINC001418542260 926400864 /nfs/dbraw/zinc/40/08/64/926400864.db2.gz PITXRUYWOYDRJH-UHFFFAOYSA-N 1 1 311.346 -1.699 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ccnn1)CC(=O)NC(N)=O ZINC001418542260 926400871 /nfs/dbraw/zinc/40/08/71/926400871.db2.gz PITXRUYWOYDRJH-UHFFFAOYSA-N 1 1 311.346 -1.699 20 0 DAADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001418529977 926401570 /nfs/dbraw/zinc/40/15/70/926401570.db2.gz WJIMFENTTHRGNP-UHFFFAOYSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001418550252 926402593 /nfs/dbraw/zinc/40/25/93/926402593.db2.gz BATJUWCNUOITRH-VIFPVBQESA-N 1 1 310.358 -1.531 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001418550252 926402599 /nfs/dbraw/zinc/40/25/99/926402599.db2.gz BATJUWCNUOITRH-VIFPVBQESA-N 1 1 310.358 -1.531 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CCn1cccn1 ZINC001418558273 926403211 /nfs/dbraw/zinc/40/32/11/926403211.db2.gz HUKNKNCPTQDYRI-UHFFFAOYSA-N 1 1 322.413 -1.247 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCNC1=O ZINC001418563422 926403362 /nfs/dbraw/zinc/40/33/62/926403362.db2.gz JJJZYPIILUGULF-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC(C)C ZINC001418568894 926403703 /nfs/dbraw/zinc/40/37/03/926403703.db2.gz XBRZZCOTHFSPFG-NSHDSACASA-N 1 1 313.402 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC(C)C ZINC001418568894 926403713 /nfs/dbraw/zinc/40/37/13/926403713.db2.gz XBRZZCOTHFSPFG-NSHDSACASA-N 1 1 313.402 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C[C@@H](O)COC ZINC001418572743 926403813 /nfs/dbraw/zinc/40/38/13/926403813.db2.gz FIBNLSQKVKCLRY-LLVKDONJSA-N 1 1 312.370 -1.161 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001418576414 926403855 /nfs/dbraw/zinc/40/38/55/926403855.db2.gz CGTQAOSAIRPCQE-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)N(C)C ZINC001418574590 926404409 /nfs/dbraw/zinc/40/44/09/926404409.db2.gz MGAOQEBRKRMVSY-UHFFFAOYSA-N 1 1 322.369 -1.285 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)N(C)C ZINC001418574590 926404414 /nfs/dbraw/zinc/40/44/14/926404414.db2.gz MGAOQEBRKRMVSY-UHFFFAOYSA-N 1 1 322.369 -1.285 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CC(=O)NC ZINC001418580622 926404528 /nfs/dbraw/zinc/40/45/28/926404528.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CC(=O)NC ZINC001418580622 926404530 /nfs/dbraw/zinc/40/45/30/926404530.db2.gz JFYFSCBMVZMNTD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)N1CCC1 ZINC001418555201 926404703 /nfs/dbraw/zinc/40/47/03/926404703.db2.gz CDPBUZKWCARLFU-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)N1CCC1 ZINC001418555201 926404707 /nfs/dbraw/zinc/40/47/07/926404707.db2.gz CDPBUZKWCARLFU-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H](C)C(N)=O ZINC001418550904 926404906 /nfs/dbraw/zinc/40/49/06/926404906.db2.gz GTDQTESBFORQGH-UWVGGRQHSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H](C)C(N)=O ZINC001418550904 926404913 /nfs/dbraw/zinc/40/49/13/926404913.db2.gz GTDQTESBFORQGH-UWVGGRQHSA-N 1 1 324.385 -1.142 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cnoc1 ZINC001418605258 926408083 /nfs/dbraw/zinc/40/80/83/926408083.db2.gz CQAGJSVAVPRNGJ-JTQLQIEISA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cnoc1 ZINC001418605258 926408088 /nfs/dbraw/zinc/40/80/88/926408088.db2.gz CQAGJSVAVPRNGJ-JTQLQIEISA-N 1 1 309.326 -1.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CC(=O)NC(N)=O ZINC001418613035 926408352 /nfs/dbraw/zinc/40/83/52/926408352.db2.gz OXKMPVBWGLTFIZ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604406 926408543 /nfs/dbraw/zinc/40/85/43/926408543.db2.gz DRUQOYJFSKEELA-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604406 926408551 /nfs/dbraw/zinc/40/85/51/926408551.db2.gz DRUQOYJFSKEELA-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001418595680 926409277 /nfs/dbraw/zinc/40/92/77/926409277.db2.gz ILBRLRDZAWLBMM-UONOGXRCSA-N 1 1 323.397 -1.039 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C[C@H]1C(N)=O ZINC001418627276 926410233 /nfs/dbraw/zinc/41/02/33/926410233.db2.gz YYNHJEYEFJJJGZ-BBBLOLIVSA-N 1 1 300.334 -1.535 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCO)C(N)=O ZINC001418615600 926410266 /nfs/dbraw/zinc/41/02/66/926410266.db2.gz CWRFDLPFKOISJB-QWRGUYRKSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001418634183 926410983 /nfs/dbraw/zinc/41/09/83/926410983.db2.gz IZDXGIAPWMUWGW-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001418634183 926410989 /nfs/dbraw/zinc/41/09/89/926410989.db2.gz IZDXGIAPWMUWGW-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001418646933 926412844 /nfs/dbraw/zinc/41/28/44/926412844.db2.gz RIPODBDBWUQLCH-SECBINFHSA-N 1 1 308.342 -1.333 20 0 DAADMO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001418682300 926414072 /nfs/dbraw/zinc/41/40/72/926414072.db2.gz IXYGEYGZIOWNRH-GHMZBOCLSA-N 1 1 307.416 -1.126 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001418672840 926414235 /nfs/dbraw/zinc/41/42/35/926414235.db2.gz MNSWJMPKPBLZRG-LLVKDONJSA-N 1 1 311.386 -2.316 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001418669297 926414634 /nfs/dbraw/zinc/41/46/34/926414634.db2.gz IFINVFBFYKOCTP-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001418679085 926414823 /nfs/dbraw/zinc/41/48/23/926414823.db2.gz BYLMVGFPNLBJEB-LBPRGKRZSA-N 1 1 323.397 -1.189 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001418669058 926414852 /nfs/dbraw/zinc/41/48/52/926414852.db2.gz BKHDWDYCRZHTQS-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418675869 926414927 /nfs/dbraw/zinc/41/49/27/926414927.db2.gz RGMIDYCIQFIHSW-NXEZZACHSA-N 1 1 320.415 -1.633 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418700061 926415954 /nfs/dbraw/zinc/41/59/54/926415954.db2.gz QPUSEZPLIVJXDP-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001418691264 926416284 /nfs/dbraw/zinc/41/62/84/926416284.db2.gz PUIDNWTYSUDFSQ-CMPLNLGQSA-N 1 1 311.386 -1.291 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)CCNC(N)=O)C2)nn1 ZINC001418697484 926416356 /nfs/dbraw/zinc/41/63/56/926416356.db2.gz RPJKHHPGOOKPIK-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)CCNC(N)=O)C2)nn1 ZINC001418697484 926416361 /nfs/dbraw/zinc/41/63/61/926416361.db2.gz RPJKHHPGOOKPIK-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001418686389 926416833 /nfs/dbraw/zinc/41/68/33/926416833.db2.gz PMGBGEZTVVOUDK-LLVKDONJSA-N 1 1 323.401 -1.019 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCNC(=O)COC)CC[N@@H+]1CC(N)=O ZINC001418743197 926417940 /nfs/dbraw/zinc/41/79/40/926417940.db2.gz OGYAZJMSOGLEOE-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCNC(=O)COC)CC[N@H+]1CC(N)=O ZINC001418743197 926417952 /nfs/dbraw/zinc/41/79/52/926417952.db2.gz OGYAZJMSOGLEOE-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)[C@@H](C)C(=O)NC ZINC001418711214 926419015 /nfs/dbraw/zinc/41/90/15/926419015.db2.gz XXCYXJYCPNBQEK-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CCO[C@@H](C)C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001418738214 926419114 /nfs/dbraw/zinc/41/91/14/926419114.db2.gz LEFWHYAZJSVJJF-QMMMGPOBSA-N 1 1 311.342 -1.202 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001418765243 926419885 /nfs/dbraw/zinc/41/98/85/926419885.db2.gz GGEOMRYIRWGCRX-GFCCVEGCSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001418765243 926419887 /nfs/dbraw/zinc/41/98/87/926419887.db2.gz GGEOMRYIRWGCRX-GFCCVEGCSA-N 1 1 323.397 -2.113 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001418756867 926420159 /nfs/dbraw/zinc/42/01/59/926420159.db2.gz VIYBRPXQGKOWMN-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001418756867 926420161 /nfs/dbraw/zinc/42/01/61/926420161.db2.gz VIYBRPXQGKOWMN-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001418765200 926420186 /nfs/dbraw/zinc/42/01/86/926420186.db2.gz HOKJMFLKLCQVBB-AXFHLTTASA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001418769064 926420316 /nfs/dbraw/zinc/42/03/16/926420316.db2.gz UVFJMZPLMSYKMC-JTQLQIEISA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001418769064 926420320 /nfs/dbraw/zinc/42/03/20/926420320.db2.gz UVFJMZPLMSYKMC-JTQLQIEISA-N 1 1 311.386 -2.127 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001418766671 926420351 /nfs/dbraw/zinc/42/03/51/926420351.db2.gz GAYWKAQVKAMVQA-VXGBXAGGSA-N 1 1 316.402 -1.419 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001418756180 926420398 /nfs/dbraw/zinc/42/03/98/926420398.db2.gz NTIUTDOEICZMNT-LLVKDONJSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001418756180 926420405 /nfs/dbraw/zinc/42/04/05/926420405.db2.gz NTIUTDOEICZMNT-LLVKDONJSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001418778279 926421354 /nfs/dbraw/zinc/42/13/54/926421354.db2.gz NTFDZFBRCVZAJK-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001418778279 926421360 /nfs/dbraw/zinc/42/13/60/926421360.db2.gz NTFDZFBRCVZAJK-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001418772721 926421399 /nfs/dbraw/zinc/42/13/99/926421399.db2.gz ASWQFQVHYZNGLU-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001418772721 926421405 /nfs/dbraw/zinc/42/14/05/926421405.db2.gz ASWQFQVHYZNGLU-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO CN1CCC[C@@H]([N@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777490 926422172 /nfs/dbraw/zinc/42/21/72/926422172.db2.gz LHTPHHYAKRVJTM-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCC[C@@H]([N@@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777490 926422182 /nfs/dbraw/zinc/42/21/82/926422182.db2.gz LHTPHHYAKRVJTM-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418772214 926422245 /nfs/dbraw/zinc/42/22/45/926422245.db2.gz BMUDGKIYUYQAQP-WDEREUQCSA-N 1 1 312.374 -1.510 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001418778631 926422377 /nfs/dbraw/zinc/42/23/77/926422377.db2.gz MNDBPRMQATWUPD-BXUZGUMPSA-N 1 1 317.361 -1.114 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001418778631 926422385 /nfs/dbraw/zinc/42/23/85/926422385.db2.gz MNDBPRMQATWUPD-BXUZGUMPSA-N 1 1 317.361 -1.114 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](CCO)CCCO)C2)n1 ZINC001418778525 926422686 /nfs/dbraw/zinc/42/26/86/926422686.db2.gz LLUOWSUSTLZRRW-NSHDSACASA-N 1 1 312.374 -1.509 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418772212 926422811 /nfs/dbraw/zinc/42/28/11/926422811.db2.gz BMUDGKIYUYQAQP-MNOVXSKESA-N 1 1 312.374 -1.510 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1)c1nnnn1C ZINC001418820017 926423620 /nfs/dbraw/zinc/42/36/20/926423620.db2.gz DLUDTBIQRCKEBC-RKDXNWHRSA-N 1 1 310.362 -1.657 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001418851814 926425827 /nfs/dbraw/zinc/42/58/27/926425827.db2.gz CQLTZPOFIZLOGM-GRYCIOLGSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)CN1CCOCC1)C(N)=O ZINC001418833678 926426490 /nfs/dbraw/zinc/42/64/90/926426490.db2.gz RPIWURXLBLYUSX-NWDGAFQWSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418833674 926426830 /nfs/dbraw/zinc/42/68/30/926426830.db2.gz RPIWURXLBLYUSX-NEPJUHHUSA-N 1 1 300.403 -1.124 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001418856789 926427991 /nfs/dbraw/zinc/42/79/91/926427991.db2.gz CFISDSYGQXZYCE-BETUJISGSA-N 1 1 323.397 -1.177 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001418856789 926427996 /nfs/dbraw/zinc/42/79/96/926427996.db2.gz CFISDSYGQXZYCE-BETUJISGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001418898640 926428206 /nfs/dbraw/zinc/42/82/06/926428206.db2.gz WCJIWSLQYSBJGE-JTQLQIEISA-N 1 1 322.431 -1.656 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cn(C(F)(F)CO)nn1 ZINC001418872507 926428426 /nfs/dbraw/zinc/42/84/26/926428426.db2.gz NWRVBVSAITXGCF-MRVPVSSYSA-N 1 1 305.285 -1.384 20 0 DAADMO CN(CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001418899471 926428552 /nfs/dbraw/zinc/42/85/52/926428552.db2.gz VZBYEIIGVGFTOS-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001418889490 926428626 /nfs/dbraw/zinc/42/86/26/926428626.db2.gz IECMSUZXFJBJMU-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2cc[nH]n2)C1 ZINC001418889489 926428697 /nfs/dbraw/zinc/42/86/97/926428697.db2.gz IECMSUZXFJBJMU-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001418898641 926428956 /nfs/dbraw/zinc/42/89/56/926428956.db2.gz HCQZXEJUPRBTRK-WDEREUQCSA-N 1 1 321.385 -1.070 20 0 DAADMO CN(CCN1CCN(CC(N)=O)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418915040 926430186 /nfs/dbraw/zinc/43/01/86/926430186.db2.gz HNAXTWBSSCSJEA-ZDUSSCGKSA-N 1 1 311.430 -1.501 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001418902114 926430387 /nfs/dbraw/zinc/43/03/87/926430387.db2.gz AQAXMLKLCGETAE-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001418907357 926430603 /nfs/dbraw/zinc/43/06/03/926430603.db2.gz MHDTVGPQYVSQOK-NSHDSACASA-N 1 1 324.381 -1.482 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)COC)C1 ZINC001418932831 926432063 /nfs/dbraw/zinc/43/20/63/926432063.db2.gz QANISLRKUUBPAU-NEPJUHHUSA-N 1 1 316.402 -1.297 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCCC2=O ZINC001418953002 926432217 /nfs/dbraw/zinc/43/22/17/926432217.db2.gz NGFDZIRFGKDFAO-CQSZACIVSA-N 1 1 308.338 -1.060 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001418951863 926432514 /nfs/dbraw/zinc/43/25/14/926432514.db2.gz AKQWGFBOLGMWDB-GFCCVEGCSA-N 1 1 321.399 -2.121 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001418932735 926432730 /nfs/dbraw/zinc/43/27/30/926432730.db2.gz PQDKLUNJOPFYAD-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001418953230 926432776 /nfs/dbraw/zinc/43/27/76/926432776.db2.gz JHIYNMYHIBMKQV-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001418953230 926432783 /nfs/dbraw/zinc/43/27/83/926432783.db2.gz JHIYNMYHIBMKQV-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001418934082 926432893 /nfs/dbraw/zinc/43/28/93/926432893.db2.gz AMCTYEPAPACAFP-NWDGAFQWSA-N 1 1 321.385 -1.260 20 0 DAADMO CO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001418921725 926433066 /nfs/dbraw/zinc/43/30/66/926433066.db2.gz JYGFBOOUASPLJI-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001418953340 926433129 /nfs/dbraw/zinc/43/31/29/926433129.db2.gz QONWRABDSKPNNL-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001418953340 926433137 /nfs/dbraw/zinc/43/31/37/926433137.db2.gz QONWRABDSKPNNL-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001418952040 926433254 /nfs/dbraw/zinc/43/32/54/926433254.db2.gz DEFDCJONKFOXEE-LBPRGKRZSA-N 1 1 308.400 -1.332 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001418931336 926433357 /nfs/dbraw/zinc/43/33/57/926433357.db2.gz OVEOKCNQSUOOEQ-VIFPVBQESA-N 1 1 308.342 -1.002 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001418953864 926435084 /nfs/dbraw/zinc/43/50/84/926435084.db2.gz XNLRFJRDNLTIMM-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418954004 926435156 /nfs/dbraw/zinc/43/51/56/926435156.db2.gz FNOMQGMZJWSIHI-WOPDTQHZSA-N 1 1 314.386 -1.402 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001419021453 926443930 /nfs/dbraw/zinc/44/39/30/926443930.db2.gz HJAORGBRUWTHSY-UHFFFAOYSA-N 1 1 321.381 -1.080 20 0 DAADMO CN(CC[NH+]1CC(CNC(=O)c2ncc[nH]2)C1)S(C)(=O)=O ZINC001419017089 926443967 /nfs/dbraw/zinc/44/39/67/926443967.db2.gz OLGQCXFKUAUDGK-UHFFFAOYSA-N 1 1 315.399 -1.037 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)CCn3cnnn3)C2)C1=O ZINC001419040481 926447866 /nfs/dbraw/zinc/44/78/66/926447866.db2.gz WGCDBCLVHNYUNK-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001419053631 926448974 /nfs/dbraw/zinc/44/89/74/926448974.db2.gz GFZCKMKSRNTWBS-SRVKXCTJSA-N 1 1 319.427 -1.066 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)S(C)(=O)=O ZINC001419050979 926449004 /nfs/dbraw/zinc/44/90/04/926449004.db2.gz VFVSSFUKGWTSLR-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419055216 926449402 /nfs/dbraw/zinc/44/94/02/926449402.db2.gz BWSZCXXYXXZNJN-WOPDTQHZSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419053772 926449651 /nfs/dbraw/zinc/44/96/51/926449651.db2.gz WIAJFGVEFGODAZ-WPRPVWTQSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419053772 926449661 /nfs/dbraw/zinc/44/96/61/926449661.db2.gz WIAJFGVEFGODAZ-WPRPVWTQSA-N 1 1 313.358 -1.843 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001419053633 926449814 /nfs/dbraw/zinc/44/98/14/926449814.db2.gz GFZCKMKSRNTWBS-WOPDTQHZSA-N 1 1 319.427 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001419061276 926450939 /nfs/dbraw/zinc/45/09/39/926450939.db2.gz QZYIXRVRZPPXDA-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001419061276 926450944 /nfs/dbraw/zinc/45/09/44/926450944.db2.gz QZYIXRVRZPPXDA-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001419063838 926451110 /nfs/dbraw/zinc/45/11/10/926451110.db2.gz BXBKDJBIAWSQBS-OUAUKWLOSA-N 1 1 323.415 -1.878 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001419070939 926451255 /nfs/dbraw/zinc/45/12/55/926451255.db2.gz AHEOYZKZCIMKGS-UHFFFAOYSA-N 1 1 324.345 -2.209 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001419065974 926451676 /nfs/dbraw/zinc/45/16/76/926451676.db2.gz BOIYMZOVKQGPOR-AXFHLTTASA-N 1 1 321.399 -2.124 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419082441 926452760 /nfs/dbraw/zinc/45/27/60/926452760.db2.gz BXDQQUFQLMWEBQ-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419082441 926452767 /nfs/dbraw/zinc/45/27/67/926452767.db2.gz BXDQQUFQLMWEBQ-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001419085280 926453333 /nfs/dbraw/zinc/45/33/33/926453333.db2.gz QSQPFIGCALFUBC-RKDXNWHRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001419085280 926453337 /nfs/dbraw/zinc/45/33/37/926453337.db2.gz QSQPFIGCALFUBC-RKDXNWHRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001419091728 926453466 /nfs/dbraw/zinc/45/34/66/926453466.db2.gz JDLFLDWVOWNOCK-ONGXEEELSA-N 1 1 306.388 -2.211 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001419081505 926453553 /nfs/dbraw/zinc/45/35/53/926453553.db2.gz MPEZTCJWFACWIZ-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001419091727 926453732 /nfs/dbraw/zinc/45/37/32/926453732.db2.gz JDLFLDWVOWNOCK-MWLCHTKSSA-N 1 1 306.388 -2.211 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001419084376 926453855 /nfs/dbraw/zinc/45/38/55/926453855.db2.gz BXBKDJBIAWSQBS-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001419077093 926454417 /nfs/dbraw/zinc/45/44/17/926454417.db2.gz UFGNKIJZNKFDAF-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001419077093 926454424 /nfs/dbraw/zinc/45/44/24/926454424.db2.gz UFGNKIJZNKFDAF-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001419084373 926454486 /nfs/dbraw/zinc/45/44/86/926454486.db2.gz BXBKDJBIAWSQBS-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001419101264 926456015 /nfs/dbraw/zinc/45/60/15/926456015.db2.gz CHWDRXRKOYROJQ-GHMZBOCLSA-N 1 1 310.354 -1.077 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001419099740 926456168 /nfs/dbraw/zinc/45/61/68/926456168.db2.gz ULXFXDYVBLZXIV-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001419099740 926456177 /nfs/dbraw/zinc/45/61/77/926456177.db2.gz ULXFXDYVBLZXIV-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419112885 926458132 /nfs/dbraw/zinc/45/81/32/926458132.db2.gz KBDIPXFGTDHEFY-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419112885 926458136 /nfs/dbraw/zinc/45/81/36/926458136.db2.gz KBDIPXFGTDHEFY-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001419116769 926458219 /nfs/dbraw/zinc/45/82/19/926458219.db2.gz BYQUHYCSVDYBHS-MNOVXSKESA-N 1 1 302.375 -1.415 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419112888 926458434 /nfs/dbraw/zinc/45/84/34/926458434.db2.gz KBDIPXFGTDHEFY-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419112888 926458443 /nfs/dbraw/zinc/45/84/43/926458443.db2.gz KBDIPXFGTDHEFY-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001419150356 926462296 /nfs/dbraw/zinc/46/22/96/926462296.db2.gz OZDQDDUEVHJZOT-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001419166959 926462451 /nfs/dbraw/zinc/46/24/51/926462451.db2.gz UYLRNWMZEDFHFP-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001419146024 926462726 /nfs/dbraw/zinc/46/27/26/926462726.db2.gz BSPMNOFLGFAXAF-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001419146024 926462728 /nfs/dbraw/zinc/46/27/28/926462728.db2.gz BSPMNOFLGFAXAF-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001419179742 926463878 /nfs/dbraw/zinc/46/38/78/926463878.db2.gz ZNYKETRJZHOEME-WCBMZHEXSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001419179742 926463886 /nfs/dbraw/zinc/46/38/86/926463886.db2.gz ZNYKETRJZHOEME-WCBMZHEXSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181359 926464149 /nfs/dbraw/zinc/46/41/49/926464149.db2.gz QQXORKMCQOXGMQ-RKDXNWHRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181359 926464153 /nfs/dbraw/zinc/46/41/53/926464153.db2.gz QQXORKMCQOXGMQ-RKDXNWHRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181345 926464341 /nfs/dbraw/zinc/46/43/41/926464341.db2.gz QQXORKMCQOXGMQ-DTWKUNHWSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181345 926464346 /nfs/dbraw/zinc/46/43/46/926464346.db2.gz QQXORKMCQOXGMQ-DTWKUNHWSA-N 1 1 308.342 -1.274 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001419173673 926465331 /nfs/dbraw/zinc/46/53/31/926465331.db2.gz CLZFPGSJWDTLHO-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001419173673 926465336 /nfs/dbraw/zinc/46/53/36/926465336.db2.gz CLZFPGSJWDTLHO-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001419174956 926465361 /nfs/dbraw/zinc/46/53/61/926465361.db2.gz GVUMGNSGKOBKNU-GHMZBOCLSA-N 1 1 320.415 -1.733 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001419195814 926466303 /nfs/dbraw/zinc/46/63/03/926466303.db2.gz PVXCXOVTKPQEMV-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CCn1ncc(C[NH2+][C@H](CNC(=O)Cn2cnnn2)C2CC2)n1 ZINC001419206867 926467223 /nfs/dbraw/zinc/46/72/23/926467223.db2.gz IAUWQJXKOPLCPS-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO CC[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001419252841 926469842 /nfs/dbraw/zinc/46/98/42/926469842.db2.gz JMABQZSZLODQSX-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001419269827 926470123 /nfs/dbraw/zinc/47/01/23/926470123.db2.gz UPQWTJSGGFRILQ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001419269827 926470126 /nfs/dbraw/zinc/47/01/26/926470126.db2.gz UPQWTJSGGFRILQ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419249738 926470197 /nfs/dbraw/zinc/47/01/97/926470197.db2.gz RHWQDKALHQZLKR-ZJUUUORDSA-N 1 1 309.374 -1.137 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1nnnn1C ZINC001419278356 926470275 /nfs/dbraw/zinc/47/02/75/926470275.db2.gz ZVFIPKPGUKIZJS-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001419277869 926470577 /nfs/dbraw/zinc/47/05/77/926470577.db2.gz NWOZHIRGOSATKT-DTWKUNHWSA-N 1 1 312.378 -1.186 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001419291974 926471419 /nfs/dbraw/zinc/47/14/19/926471419.db2.gz VACDWXPWUYOGGA-QWRGUYRKSA-N 1 1 307.358 -1.519 20 0 DAADMO C[C@@H]([NH2+][C@H](CNC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001419304007 926471878 /nfs/dbraw/zinc/47/18/78/926471878.db2.gz FXOXMTSOZGEUHF-PSASIEDQSA-N 1 1 324.389 -1.186 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001419345102 926473422 /nfs/dbraw/zinc/47/34/22/926473422.db2.gz OCYYPOXAECJVJS-VIFPVBQESA-N 1 1 323.357 -1.216 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cncn1 ZINC001419341518 926473473 /nfs/dbraw/zinc/47/34/73/926473473.db2.gz ZSRRVENXWJAPAC-FRRDWIJNSA-N 1 1 309.370 -1.039 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001419349641 926473611 /nfs/dbraw/zinc/47/36/11/926473611.db2.gz QUFYLARZAAMRPU-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO Cn1ncc(C[NH2+]C[C@](C)(NC(=O)Cn2ncnn2)C2CC2)n1 ZINC001419338600 926473951 /nfs/dbraw/zinc/47/39/51/926473951.db2.gz AWIFCLQEXDNLCN-ZDUSSCGKSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001419406683 926475444 /nfs/dbraw/zinc/47/54/44/926475444.db2.gz BEYFKMOWNUKWCD-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001419411193 926476735 /nfs/dbraw/zinc/47/67/35/926476735.db2.gz VMXGHUPRPCKKCG-OPRDCNLKSA-N 1 1 315.399 -1.015 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)C1 ZINC001419451657 926478648 /nfs/dbraw/zinc/47/86/48/926478648.db2.gz XRCMCDHAZLWMQO-CQSZACIVSA-N 1 1 323.397 -1.692 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1nnn(C)n1 ZINC001419483379 926479886 /nfs/dbraw/zinc/47/98/86/926479886.db2.gz FWXOQSKUJMIMGR-MNOVXSKESA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1nnn(C)n1 ZINC001419505604 926482034 /nfs/dbraw/zinc/48/20/34/926482034.db2.gz FAGZGHBQTGURFT-JTQLQIEISA-N 1 1 321.389 -1.187 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)CN2CCNC(=O)C2)o1 ZINC001419519837 926482971 /nfs/dbraw/zinc/48/29/71/926482971.db2.gz YRDMFKMQOUPYSJ-JTQLQIEISA-N 1 1 324.385 -1.348 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001419532047 926483701 /nfs/dbraw/zinc/48/37/01/926483701.db2.gz BNOOERZLPWNGNU-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001419552913 926486003 /nfs/dbraw/zinc/48/60/03/926486003.db2.gz IDQPXZQFETWVBK-RYUDHWBXSA-N 1 1 316.402 -1.120 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CCCC[N@@H+]1CCCO ZINC001419591016 926488649 /nfs/dbraw/zinc/48/86/49/926488649.db2.gz ISOCWZYCVOCPIN-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1CCF ZINC001419592871 926488740 /nfs/dbraw/zinc/48/87/40/926488740.db2.gz NIPYISWTBUHIII-SNVBAGLBSA-N 1 1 310.395 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCF ZINC001419592871 926488746 /nfs/dbraw/zinc/48/87/46/926488746.db2.gz NIPYISWTBUHIII-SNVBAGLBSA-N 1 1 310.395 -1.020 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001419585460 926488936 /nfs/dbraw/zinc/48/89/36/926488936.db2.gz QEFWCMYTEGROAN-VXGBXAGGSA-N 1 1 314.386 -1.102 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001419576894 926489123 /nfs/dbraw/zinc/48/91/23/926489123.db2.gz JNJICOFTZPLHKV-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001419576894 926489127 /nfs/dbraw/zinc/48/91/27/926489127.db2.gz JNJICOFTZPLHKV-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419595847 926491042 /nfs/dbraw/zinc/49/10/42/926491042.db2.gz BWLXKPUIFOGXHN-SNVBAGLBSA-N 1 1 322.369 -1.347 20 0 DAADMO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419595847 926491046 /nfs/dbraw/zinc/49/10/46/926491046.db2.gz BWLXKPUIFOGXHN-SNVBAGLBSA-N 1 1 322.369 -1.347 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001419606921 926491285 /nfs/dbraw/zinc/49/12/85/926491285.db2.gz WQXATAJDTKAKKR-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001419606921 926491288 /nfs/dbraw/zinc/49/12/88/926491288.db2.gz WQXATAJDTKAKKR-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654573 926492257 /nfs/dbraw/zinc/49/22/57/926492257.db2.gz HQICLHQNQQJTSV-RNWYCLNJSA-N 1 1 323.397 -1.242 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654288 926492936 /nfs/dbraw/zinc/49/29/36/926492936.db2.gz CKJKIRUMHMOYEU-XPORZQOISA-N 1 1 323.397 -1.371 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654288 926492941 /nfs/dbraw/zinc/49/29/41/926492941.db2.gz CKJKIRUMHMOYEU-XPORZQOISA-N 1 1 323.397 -1.371 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001419662377 926493210 /nfs/dbraw/zinc/49/32/10/926493210.db2.gz OMMOCSAIUSOGNW-XPORZQOISA-N 1 1 324.381 -1.208 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001419692063 926494664 /nfs/dbraw/zinc/49/46/64/926494664.db2.gz SFGUWMKEDJBWEZ-VIFPVBQESA-N 1 1 322.325 -1.031 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419684878 926495171 /nfs/dbraw/zinc/49/51/71/926495171.db2.gz LRGUSHSLWOSNSA-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1nnnn1C ZINC001419762822 926497998 /nfs/dbraw/zinc/49/79/98/926497998.db2.gz XVGUYNIIUQQASL-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001419751497 926498805 /nfs/dbraw/zinc/49/88/05/926498805.db2.gz SQPCXOJRRAHMHB-JTQLQIEISA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nncn1C ZINC001419781361 926500375 /nfs/dbraw/zinc/50/03/75/926500375.db2.gz BMWPUSCHHCKQRJ-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419776138 926500961 /nfs/dbraw/zinc/50/09/61/926500961.db2.gz ODMJVCQSIOSSAJ-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001419812801 926501574 /nfs/dbraw/zinc/50/15/74/926501574.db2.gz WDQIXLAOTQRKNO-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO CC(C)C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001419790859 926501768 /nfs/dbraw/zinc/50/17/68/926501768.db2.gz MIRFFTROXWRFTP-NXEZZACHSA-N 1 1 324.389 -1.488 20 0 DAADMO CC(C)C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001419790898 926502085 /nfs/dbraw/zinc/50/20/85/926502085.db2.gz MIRFFTROXWRFTP-ZJUUUORDSA-N 1 1 324.389 -1.488 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001419799740 926502368 /nfs/dbraw/zinc/50/23/68/926502368.db2.gz WYYPGZCZBKTSKA-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001419863606 926505703 /nfs/dbraw/zinc/50/57/03/926505703.db2.gz RSBQAPNLLDRLIO-CBAPKCEASA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419895748 926505760 /nfs/dbraw/zinc/50/57/60/926505760.db2.gz NCUVIMVTFSAVNI-VHSXEESVSA-N 1 1 315.399 -1.124 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419876918 926505894 /nfs/dbraw/zinc/50/58/94/926505894.db2.gz XVSPGFFYSOVJAQ-RKDXNWHRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419876918 926505905 /nfs/dbraw/zinc/50/59/05/926505905.db2.gz XVSPGFFYSOVJAQ-RKDXNWHRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001419875848 926506071 /nfs/dbraw/zinc/50/60/71/926506071.db2.gz VYRIKAICAXOBEO-SECBINFHSA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN1CCCS1(=O)=O ZINC001419875848 926506081 /nfs/dbraw/zinc/50/60/81/926506081.db2.gz VYRIKAICAXOBEO-SECBINFHSA-N 1 1 316.387 -1.452 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001419863074 926507387 /nfs/dbraw/zinc/50/73/87/926507387.db2.gz PRVLFCQZFFLWJJ-WPRPVWTQSA-N 1 1 323.357 -1.510 20 0 DAADMO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@H]3CC[N@H+]3C)[C@@H](O)C(=O)N2C)cn1 ZINC001419914789 926509299 /nfs/dbraw/zinc/50/92/99/926509299.db2.gz PGPWGRQRYOLAEE-UMSGYPCISA-N 1 1 321.381 -1.269 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419931464 926510561 /nfs/dbraw/zinc/51/05/61/926510561.db2.gz FYWXRRNNGAQJGU-VXNVDRBHSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)[NH2+]Cc1nnnn1C ZINC001419933146 926510642 /nfs/dbraw/zinc/51/06/42/926510642.db2.gz UQQCFKUDGWCHBY-VHSXEESVSA-N 1 1 319.373 -1.342 20 0 DAADMO Cc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001419955737 926510953 /nfs/dbraw/zinc/51/09/53/926510953.db2.gz WUNKUUXVUQEVCV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001419955737 926510962 /nfs/dbraw/zinc/51/09/62/926510962.db2.gz WUNKUUXVUQEVCV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nnnn1C ZINC001419938481 926511562 /nfs/dbraw/zinc/51/15/62/926511562.db2.gz OODBATXWBKTANL-SFYZADRCSA-N 1 1 317.375 -2.504 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)[NH2+]Cc1nnnn1C ZINC001419933135 926511600 /nfs/dbraw/zinc/51/16/00/926511600.db2.gz UQQCFKUDGWCHBY-NXEZZACHSA-N 1 1 319.373 -1.342 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n1C)c1nnnn1C ZINC001419932719 926511631 /nfs/dbraw/zinc/51/16/31/926511631.db2.gz HDCUTEPEWPKZBR-DTWKUNHWSA-N 1 1 322.373 -1.284 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001419968395 926513181 /nfs/dbraw/zinc/51/31/81/926513181.db2.gz WHDZXZCEDHAQCT-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001419968395 926513191 /nfs/dbraw/zinc/51/31/91/926513191.db2.gz WHDZXZCEDHAQCT-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001419972481 926513388 /nfs/dbraw/zinc/51/33/88/926513388.db2.gz MWJPFXZMQZWYMK-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001419968393 926513457 /nfs/dbraw/zinc/51/34/57/926513457.db2.gz WHDZXZCEDHAQCT-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001419968393 926513463 /nfs/dbraw/zinc/51/34/63/926513463.db2.gz WHDZXZCEDHAQCT-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001419968392 926513606 /nfs/dbraw/zinc/51/36/06/926513606.db2.gz WDHOMQZQWMGYQW-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001419968392 926513609 /nfs/dbraw/zinc/51/36/09/926513609.db2.gz WDHOMQZQWMGYQW-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001419970183 926513808 /nfs/dbraw/zinc/51/38/08/926513808.db2.gz BVLACNNXFNMFKM-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001419970183 926513817 /nfs/dbraw/zinc/51/38/17/926513817.db2.gz BVLACNNXFNMFKM-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CC(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001419983808 926513937 /nfs/dbraw/zinc/51/39/37/926513937.db2.gz KSXFHVRXQLUDHK-NSHDSACASA-N 1 1 319.427 -1.054 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1n[nH]nc1C ZINC001419993661 926514738 /nfs/dbraw/zinc/51/47/38/926514738.db2.gz PQEVMCXKFPISEO-UHFFFAOYSA-N 1 1 311.346 -1.427 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1n[nH]nc1C ZINC001419993661 926514744 /nfs/dbraw/zinc/51/47/44/926514744.db2.gz PQEVMCXKFPISEO-UHFFFAOYSA-N 1 1 311.346 -1.427 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001420006110 926515013 /nfs/dbraw/zinc/51/50/13/926515013.db2.gz YJZABGHOERHMAE-IUCAKERBSA-N 1 1 310.362 -1.795 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CCCC(N)=O)C2)n1 ZINC001420001226 926515734 /nfs/dbraw/zinc/51/57/34/926515734.db2.gz FXTGCTWQBYKMIH-JTQLQIEISA-N 1 1 309.374 -1.196 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001420052849 926516330 /nfs/dbraw/zinc/51/63/30/926516330.db2.gz VUWHILKGMHUPQQ-LLVKDONJSA-N 1 1 310.402 -1.050 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)C(N)=O ZINC001420029861 926516271 /nfs/dbraw/zinc/51/62/71/926516271.db2.gz PSWOKPPPSBVWGI-WPRPVWTQSA-N 1 1 315.374 -2.370 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)C(N)=O ZINC001420029861 926516282 /nfs/dbraw/zinc/51/62/82/926516282.db2.gz PSWOKPPPSBVWGI-WPRPVWTQSA-N 1 1 315.374 -2.370 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001420033518 926517056 /nfs/dbraw/zinc/51/70/56/926517056.db2.gz LBUUCMHLIGCSBF-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001420033518 926517062 /nfs/dbraw/zinc/51/70/62/926517062.db2.gz LBUUCMHLIGCSBF-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001420053764 926517530 /nfs/dbraw/zinc/51/75/30/926517530.db2.gz VVJJCTSAIGXABT-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001420055305 926518279 /nfs/dbraw/zinc/51/82/79/926518279.db2.gz TVKIMNINRHDEPG-UHFFFAOYSA-N 1 1 321.341 -1.139 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001420055305 926518286 /nfs/dbraw/zinc/51/82/86/926518286.db2.gz TVKIMNINRHDEPG-UHFFFAOYSA-N 1 1 321.341 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420054004 926518777 /nfs/dbraw/zinc/51/87/77/926518777.db2.gz HBDMIUSJENEHQU-QMMMGPOBSA-N 1 1 308.342 -1.547 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420054004 926518783 /nfs/dbraw/zinc/51/87/83/926518783.db2.gz HBDMIUSJENEHQU-QMMMGPOBSA-N 1 1 308.342 -1.547 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420065079 926518926 /nfs/dbraw/zinc/51/89/26/926518926.db2.gz ZVDBQTCZVGOVBG-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420065079 926518935 /nfs/dbraw/zinc/51/89/35/926518935.db2.gz ZVDBQTCZVGOVBG-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001420063546 926519399 /nfs/dbraw/zinc/51/93/99/926519399.db2.gz TZHWBHLCHFAFFR-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001420063546 926519405 /nfs/dbraw/zinc/51/94/05/926519405.db2.gz TZHWBHLCHFAFFR-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1nonc1C ZINC001420063433 926519516 /nfs/dbraw/zinc/51/95/16/926519516.db2.gz GHYNIQVXGXVUFZ-UHFFFAOYSA-N 1 1 312.330 -1.163 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1nonc1C ZINC001420063433 926519519 /nfs/dbraw/zinc/51/95/19/926519519.db2.gz GHYNIQVXGXVUFZ-UHFFFAOYSA-N 1 1 312.330 -1.163 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001420087314 926520678 /nfs/dbraw/zinc/52/06/78/926520678.db2.gz GSFWRXQRHZXBNH-ONGXEEELSA-N 1 1 312.374 -1.611 20 0 DAADMO C[C@H](CCNC(=O)c1cnn(C)c1N)[NH2+]Cc1nnn(C)n1 ZINC001420088083 926520715 /nfs/dbraw/zinc/52/07/15/926520715.db2.gz GCMZUKNWLVQVHE-MRVPVSSYSA-N 1 1 307.362 -1.176 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001420090499 926521490 /nfs/dbraw/zinc/52/14/90/926521490.db2.gz UTKBHHGGYYVXJB-VHSXEESVSA-N 1 1 324.389 -1.486 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)[nH]1 ZINC001420101041 926522807 /nfs/dbraw/zinc/52/28/07/926522807.db2.gz HTNVHSIZYJZDKZ-UWVGGRQHSA-N 1 1 310.358 -1.794 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001420100513 926523130 /nfs/dbraw/zinc/52/31/30/926523130.db2.gz CSUUHZJMZOTVFV-GXSJLCMTSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001420100543 926523303 /nfs/dbraw/zinc/52/33/03/926523303.db2.gz CSUUHZJMZOTVFV-MWLCHTKSSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)c(C)o1 ZINC001420093866 926523409 /nfs/dbraw/zinc/52/34/09/926523409.db2.gz FJYKYGSGSMEIFW-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nncn2C)nnn1C ZINC001420105236 926524215 /nfs/dbraw/zinc/52/42/15/926524215.db2.gz IAHMCLUQWVZECV-WCBMZHEXSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001420106756 926524349 /nfs/dbraw/zinc/52/43/49/926524349.db2.gz LJPMXNQAEOPUJG-GHMZBOCLSA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCn2cccn2)[nH]1 ZINC001420106525 926524965 /nfs/dbraw/zinc/52/49/65/926524965.db2.gz LCHLOCHMEYXPIJ-NSHDSACASA-N 1 1 307.358 -1.033 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1)c1nncn1C ZINC001420107020 926525701 /nfs/dbraw/zinc/52/57/01/926525701.db2.gz LTJBNZCTJYWXIJ-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)s1 ZINC001420101816 926526047 /nfs/dbraw/zinc/52/60/47/926526047.db2.gz HXLHAKMZUOQYRV-VHSXEESVSA-N 1 1 316.383 -1.171 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001420115187 926526556 /nfs/dbraw/zinc/52/65/56/926526556.db2.gz MUHGPTWJNCMAQT-GHMZBOCLSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001420114361 926527050 /nfs/dbraw/zinc/52/70/50/926527050.db2.gz UUNHWPBLBFJTNH-JTQLQIEISA-N 1 1 311.342 -1.433 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001420115554 926528654 /nfs/dbraw/zinc/52/86/54/926528654.db2.gz QUCWXJGQEBVKNT-VHSXEESVSA-N 1 1 309.326 -1.540 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001420115311 926529043 /nfs/dbraw/zinc/52/90/43/926529043.db2.gz QETPJGPQKJDMRK-LBPRGKRZSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001420115812 926529290 /nfs/dbraw/zinc/52/92/90/926529290.db2.gz WTLOAQVZVPRRHJ-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)co1 ZINC001420118119 926529337 /nfs/dbraw/zinc/52/93/37/926529337.db2.gz VHJOTRZSIKKTQB-JTQLQIEISA-N 1 1 305.356 -1.406 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001420115411 926529377 /nfs/dbraw/zinc/52/93/77/926529377.db2.gz RBMJJNZUJCCLQR-VIFPVBQESA-N 1 1 308.346 -1.569 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)n2cncn2)n1 ZINC001420121931 926531128 /nfs/dbraw/zinc/53/11/28/926531128.db2.gz ZCXATTKTFQCGGI-JQWIXIFHSA-N 1 1 322.373 -1.283 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCOC1 ZINC001420119494 926531234 /nfs/dbraw/zinc/53/12/34/926531234.db2.gz XCHDJDQHDAVPSV-KOLCDFICSA-N 1 1 310.358 -1.389 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)[nH]n1 ZINC001420121247 926531631 /nfs/dbraw/zinc/53/16/31/926531631.db2.gz YJOKSWBQDBGPSP-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCOC1 ZINC001420119514 926531645 /nfs/dbraw/zinc/53/16/45/926531645.db2.gz XCHDJDQHDAVPSV-ONGXEEELSA-N 1 1 310.358 -1.389 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)n1 ZINC001420119888 926531713 /nfs/dbraw/zinc/53/17/13/926531713.db2.gz WSDLOHPUIAEMJO-VXGBXAGGSA-N 1 1 313.358 -1.720 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cncc2nc[nH]c21 ZINC001420128472 926532713 /nfs/dbraw/zinc/53/27/13/926532713.db2.gz QUANUQUBLNQXTK-VHSXEESVSA-N 1 1 323.353 -1.355 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001420127335 926533317 /nfs/dbraw/zinc/53/33/17/926533317.db2.gz UKGYFOWGYMMLAZ-ZYHUDNBSSA-N 1 1 312.374 -1.408 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C)n[nH]1 ZINC001420129501 926533332 /nfs/dbraw/zinc/53/33/32/926533332.db2.gz RPYFIWLHGWJFNJ-WCBMZHEXSA-N 1 1 312.374 -1.801 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420130450 926533817 /nfs/dbraw/zinc/53/38/17/926533817.db2.gz VNENHASDMORXTD-WDMOLILDSA-N 1 1 309.370 -1.099 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420127386 926534236 /nfs/dbraw/zinc/53/42/36/926534236.db2.gz UVEARQGNQFCYMF-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001420131611 926535245 /nfs/dbraw/zinc/53/52/45/926535245.db2.gz BEPUUSRZIBBIDB-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001420132894 926536254 /nfs/dbraw/zinc/53/62/54/926536254.db2.gz YFHUAZROQBWFCH-QWRGUYRKSA-N 1 1 314.342 -1.250 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001420137823 926537988 /nfs/dbraw/zinc/53/79/88/926537988.db2.gz LENIYPIUKONDLP-MNOVXSKESA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001420141259 926539076 /nfs/dbraw/zinc/53/90/76/926539076.db2.gz PFMHKGNMKBCMPF-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001420148595 926542647 /nfs/dbraw/zinc/54/26/47/926542647.db2.gz CSQMCFDGQDEHLV-GZMMTYOYSA-N 1 1 302.310 -2.095 20 0 DAADMO CN1CC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)=NC1=O ZINC001420151442 926543745 /nfs/dbraw/zinc/54/37/45/926543745.db2.gz WTQSHQFYLYMKCF-VIFPVBQESA-N 1 1 311.342 -1.962 20 0 DAADMO CO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)C1CCC1 ZINC001420155814 926543985 /nfs/dbraw/zinc/54/39/85/926543985.db2.gz LQUXWCVAUVKGBY-ZYHUDNBSSA-N 1 1 312.374 -1.408 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001420155813 926545267 /nfs/dbraw/zinc/54/52/67/926545267.db2.gz NVIMAUINAMGMGM-BXKDBHETSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001420155820 926545456 /nfs/dbraw/zinc/54/54/56/926545456.db2.gz NVIMAUINAMGMGM-CABZTGNLSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nn1 ZINC001420155838 926547181 /nfs/dbraw/zinc/54/71/81/926547181.db2.gz MENUXMIGCGBXLQ-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001420159577 926547419 /nfs/dbraw/zinc/54/74/19/926547419.db2.gz VKBHCQLDYYGJOG-ZJUUUORDSA-N 1 1 311.346 -2.454 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cs1 ZINC001420161848 926547559 /nfs/dbraw/zinc/54/75/59/926547559.db2.gz YCFQWZPVHMJJJI-NXEZZACHSA-N 1 1 313.383 -1.300 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)nn1 ZINC001420165750 926548112 /nfs/dbraw/zinc/54/81/12/926548112.db2.gz OOXFQNABTMDNLN-FZMZJTMJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)nn1 ZINC001420165762 926548240 /nfs/dbraw/zinc/54/82/40/926548240.db2.gz OOXFQNABTMDNLN-SMDDNHRTSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420163412 926548601 /nfs/dbraw/zinc/54/86/01/926548601.db2.gz WPKZWOZTLRPYJC-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1C ZINC001420162590 926548925 /nfs/dbraw/zinc/54/89/25/926548925.db2.gz UHWBILMBSRKOKO-SNVBAGLBSA-N 1 1 323.357 -1.562 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001420164297 926549312 /nfs/dbraw/zinc/54/93/12/926549312.db2.gz YJRSTNGRNLALFM-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001420162219 926549380 /nfs/dbraw/zinc/54/93/80/926549380.db2.gz UUXVAQBYCQHLPZ-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)NC1=O ZINC001420167602 926550982 /nfs/dbraw/zinc/55/09/82/926550982.db2.gz WACPTUOFXFRTFT-NXEZZACHSA-N 1 1 313.383 -1.267 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)NC1=O ZINC001420167604 926550993 /nfs/dbraw/zinc/55/09/93/926550993.db2.gz WACPTUOFXFRTFT-UWVGGRQHSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CCC(=O)N1 ZINC001420175610 926552868 /nfs/dbraw/zinc/55/28/68/926552868.db2.gz NFONFHQEENIGRA-YGRLFVJLSA-N 1 1 307.354 -1.288 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2cnn(C)n2)C1 ZINC001420177180 926553108 /nfs/dbraw/zinc/55/31/08/926553108.db2.gz WFSXQPPSMPBAGT-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2cnn(C)n2)C1 ZINC001420177184 926553481 /nfs/dbraw/zinc/55/34/81/926553481.db2.gz WFSXQPPSMPBAGT-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001420179873 926553633 /nfs/dbraw/zinc/55/36/33/926553633.db2.gz CYUUZOYBSWTZLM-ZDUSSCGKSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177066 926554512 /nfs/dbraw/zinc/55/45/12/926554512.db2.gz DSZKULPLAPZAQP-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177066 926554516 /nfs/dbraw/zinc/55/45/16/926554516.db2.gz DSZKULPLAPZAQP-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001420185894 926555121 /nfs/dbraw/zinc/55/51/21/926555121.db2.gz BABNLKURYDSEJA-JTQLQIEISA-N 1 1 321.341 -2.361 20 0 DAADMO Cc1nccnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001420185206 926555488 /nfs/dbraw/zinc/55/54/88/926555488.db2.gz CVQCYENIFBPMPF-JTQLQIEISA-N 1 1 305.342 -1.287 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001420181881 926555705 /nfs/dbraw/zinc/55/57/05/926555705.db2.gz DZOLNHUQCNBVMA-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001420186256 926556526 /nfs/dbraw/zinc/55/65/26/926556526.db2.gz KIUVPRRJVHRMNE-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nc[nH]n2)s1 ZINC001420192538 926557388 /nfs/dbraw/zinc/55/73/88/926557388.db2.gz MDTLXNWPSLGGPS-MRVPVSSYSA-N 1 1 311.371 -1.226 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001420189741 926557420 /nfs/dbraw/zinc/55/74/20/926557420.db2.gz ZIGUIYHYGYNRDS-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001420190034 926557596 /nfs/dbraw/zinc/55/75/96/926557596.db2.gz YAMNHUHRSIXPSV-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001420189743 926558389 /nfs/dbraw/zinc/55/83/89/926558389.db2.gz ZIGUIYHYGYNRDS-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001420196363 926559747 /nfs/dbraw/zinc/55/97/47/926559747.db2.gz NBAANIGNKIBNSN-SNVBAGLBSA-N 1 1 320.357 -1.800 20 0 DAADMO COCc1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001420195651 926560028 /nfs/dbraw/zinc/56/00/28/926560028.db2.gz PLKMYRDMRWIGQI-SECBINFHSA-N 1 1 324.341 -1.170 20 0 DAADMO COc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001420195689 926560108 /nfs/dbraw/zinc/56/01/08/926560108.db2.gz FVBYYJMORPCAON-SNVBAGLBSA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C)c1nnnn1C ZINC001420194863 926560196 /nfs/dbraw/zinc/56/01/96/926560196.db2.gz KVWBSINEYFVLIH-GXSJLCMTSA-N 1 1 322.373 -1.686 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccncn2)nn1 ZINC001420195204 926560782 /nfs/dbraw/zinc/56/07/82/926560782.db2.gz LTDUZUDBABPTAY-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001420194723 926560873 /nfs/dbraw/zinc/56/08/73/926560873.db2.gz WDDCBONHLRNJRS-LBPRGKRZSA-N 1 1 317.349 -1.095 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001420194721 926560938 /nfs/dbraw/zinc/56/09/38/926560938.db2.gz WDDCBONHLRNJRS-GFCCVEGCSA-N 1 1 317.349 -1.095 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1)c1nncn1C ZINC001420200193 926562795 /nfs/dbraw/zinc/56/27/95/926562795.db2.gz VVFBZRREPBSNDS-IUCAKERBSA-N 1 1 308.346 -1.696 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cnccn2)n1 ZINC001420198906 926564192 /nfs/dbraw/zinc/56/41/92/926564192.db2.gz PLSDHBPPQBOTNR-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001420206434 926564982 /nfs/dbraw/zinc/56/49/82/926564982.db2.gz ALSIZFANXSKKDX-SNVBAGLBSA-N 1 1 323.353 -1.099 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001420211258 926565081 /nfs/dbraw/zinc/56/50/81/926565081.db2.gz KUYKPILMDULNEH-KWBADKCTSA-N 1 1 311.342 -1.609 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001420211258 926565088 /nfs/dbraw/zinc/56/50/88/926565088.db2.gz KUYKPILMDULNEH-KWBADKCTSA-N 1 1 311.342 -1.609 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001420211253 926565100 /nfs/dbraw/zinc/56/51/00/926565100.db2.gz KUYKPILMDULNEH-GBIKHYSHSA-N 1 1 311.342 -1.609 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001420211253 926565105 /nfs/dbraw/zinc/56/51/05/926565105.db2.gz KUYKPILMDULNEH-GBIKHYSHSA-N 1 1 311.342 -1.609 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001420210583 926565635 /nfs/dbraw/zinc/56/56/35/926565635.db2.gz CTCGBFAPGXZSJG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001420210583 926565644 /nfs/dbraw/zinc/56/56/44/926565644.db2.gz CTCGBFAPGXZSJG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001420211550 926566093 /nfs/dbraw/zinc/56/60/93/926566093.db2.gz KPMDRBRSSFZPRG-MRVPVSSYSA-N 1 1 322.412 -1.461 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(C)no1 ZINC001420208018 926566209 /nfs/dbraw/zinc/56/62/09/926566209.db2.gz GFCDHHXFUIRUHJ-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)C[C@H]1CCS(=O)(=O)C1 ZINC001420216056 926567085 /nfs/dbraw/zinc/56/70/85/926567085.db2.gz FQNVULSSCGAFJD-SNVBAGLBSA-N 1 1 316.387 -1.844 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@H]1CCS(=O)(=O)C1 ZINC001420216056 926567090 /nfs/dbraw/zinc/56/70/90/926567090.db2.gz FQNVULSSCGAFJD-SNVBAGLBSA-N 1 1 316.387 -1.844 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCN(C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001420222554 926567409 /nfs/dbraw/zinc/56/74/09/926567409.db2.gz VJEWWKWUPFXZBD-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001420248851 926569237 /nfs/dbraw/zinc/56/92/37/926569237.db2.gz HYRBAUYRNGRDDV-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001420248851 926569242 /nfs/dbraw/zinc/56/92/42/926569242.db2.gz HYRBAUYRNGRDDV-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001420247069 926569267 /nfs/dbraw/zinc/56/92/67/926569267.db2.gz PDNOMTOWTKYZPU-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001420247069 926569271 /nfs/dbraw/zinc/56/92/71/926569271.db2.gz PDNOMTOWTKYZPU-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001420240440 926569784 /nfs/dbraw/zinc/56/97/84/926569784.db2.gz TUMBWXPZSIEDKS-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001420240440 926569794 /nfs/dbraw/zinc/56/97/94/926569794.db2.gz TUMBWXPZSIEDKS-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001420231087 926570436 /nfs/dbraw/zinc/57/04/36/926570436.db2.gz BCUQAKPVRFADFG-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001420231087 926570439 /nfs/dbraw/zinc/57/04/39/926570439.db2.gz BCUQAKPVRFADFG-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001420229897 926570522 /nfs/dbraw/zinc/57/05/22/926570522.db2.gz ACLSJELRSUVTOP-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001420229897 926570528 /nfs/dbraw/zinc/57/05/28/926570528.db2.gz ACLSJELRSUVTOP-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001420231193 926570669 /nfs/dbraw/zinc/57/06/69/926570669.db2.gz CGIXWZJWDMOAPL-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001420231193 926570678 /nfs/dbraw/zinc/57/06/78/926570678.db2.gz CGIXWZJWDMOAPL-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)CNC(=O)NC ZINC001420239358 926571172 /nfs/dbraw/zinc/57/11/72/926571172.db2.gz YBJZOOVTXXGBKA-SECBINFHSA-N 1 1 312.378 -1.362 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001420263296 926571727 /nfs/dbraw/zinc/57/17/27/926571727.db2.gz ZSNGLRCBRBMFKW-UHFFFAOYSA-N 1 1 310.358 -1.257 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001420263296 926571737 /nfs/dbraw/zinc/57/17/37/926571737.db2.gz ZSNGLRCBRBMFKW-UHFFFAOYSA-N 1 1 310.358 -1.257 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001420250373 926572094 /nfs/dbraw/zinc/57/20/94/926572094.db2.gz DMPQEGOYLIHBOP-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001420250373 926572102 /nfs/dbraw/zinc/57/21/02/926572102.db2.gz DMPQEGOYLIHBOP-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001420256686 926572202 /nfs/dbraw/zinc/57/22/02/926572202.db2.gz GCFDQAYTXBEQSG-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001420256686 926572206 /nfs/dbraw/zinc/57/22/06/926572206.db2.gz GCFDQAYTXBEQSG-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001420281525 926574769 /nfs/dbraw/zinc/57/47/69/926574769.db2.gz HCKUXHWANCVGQY-MRVPVSSYSA-N 1 1 318.403 -1.353 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)NC1=O ZINC001420284206 926575299 /nfs/dbraw/zinc/57/52/99/926575299.db2.gz LLDOBYOFHQZXKA-VXGBXAGGSA-N 1 1 324.385 -1.684 20 0 DAADMO COc1ccc(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC001420280169 926575328 /nfs/dbraw/zinc/57/53/28/926575328.db2.gz MTFAPYKDBKVLMP-UHFFFAOYSA-N 1 1 323.353 -1.124 20 0 DAADMO COc1ccc(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC001420280169 926575334 /nfs/dbraw/zinc/57/53/34/926575334.db2.gz MTFAPYKDBKVLMP-UHFFFAOYSA-N 1 1 323.353 -1.124 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001420278573 926575885 /nfs/dbraw/zinc/57/58/85/926575885.db2.gz WMQYOEAGTDVJES-NSHDSACASA-N 1 1 307.354 -1.075 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001420284509 926576221 /nfs/dbraw/zinc/57/62/21/926576221.db2.gz BOPSORPQJZKCPX-UHFFFAOYSA-N 1 1 312.330 -1.715 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001420284509 926576229 /nfs/dbraw/zinc/57/62/29/926576229.db2.gz BOPSORPQJZKCPX-UHFFFAOYSA-N 1 1 312.330 -1.715 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001420305113 926576937 /nfs/dbraw/zinc/57/69/37/926576937.db2.gz FKMQRXNNBJGRCA-JTQLQIEISA-N 1 1 312.370 -1.220 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294364 926577120 /nfs/dbraw/zinc/57/71/20/926577120.db2.gz NJFGXRDEGTUEBX-SECBINFHSA-N 1 1 304.347 -1.849 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294364 926577130 /nfs/dbraw/zinc/57/71/30/926577130.db2.gz NJFGXRDEGTUEBX-SECBINFHSA-N 1 1 304.347 -1.849 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001420294610 926577436 /nfs/dbraw/zinc/57/74/36/926577436.db2.gz VAIAXLSIHWMCTE-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001420294610 926577442 /nfs/dbraw/zinc/57/74/42/926577442.db2.gz VAIAXLSIHWMCTE-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCCNC1=O ZINC001420305617 926577969 /nfs/dbraw/zinc/57/79/69/926577969.db2.gz DLVBOHOQNVBUCY-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420317743 926579625 /nfs/dbraw/zinc/57/96/25/926579625.db2.gz IZSYDNSLXLPVEL-UHFFFAOYSA-N 1 1 314.367 -1.279 20 0 DAADMO O=C(N1CC([NH2+]C2COC2)C1)C1(n2cnnn2)CCOCC1 ZINC001420319065 926579848 /nfs/dbraw/zinc/57/98/48/926579848.db2.gz RCZWHSJNBIKQKF-UHFFFAOYSA-N 1 1 308.342 -1.622 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001420321339 926580226 /nfs/dbraw/zinc/58/02/26/926580226.db2.gz KRVXIMVTAYPOAE-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001420310194 926580730 /nfs/dbraw/zinc/58/07/30/926580730.db2.gz WKDDVGROLWKQRX-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001420310194 926580743 /nfs/dbraw/zinc/58/07/43/926580743.db2.gz WKDDVGROLWKQRX-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001420311638 926581000 /nfs/dbraw/zinc/58/10/00/926581000.db2.gz RTNRLSGCUDMDQW-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nncs1 ZINC001420324678 926581196 /nfs/dbraw/zinc/58/11/96/926581196.db2.gz KYSAJEHQFKUAJU-SSDOTTSWSA-N 1 1 322.416 -1.814 20 0 DAADMO C[C@H](O)C[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001420343670 926581803 /nfs/dbraw/zinc/58/18/03/926581803.db2.gz HKWVYSZRNPZEPT-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001420343670 926581816 /nfs/dbraw/zinc/58/18/16/926581816.db2.gz HKWVYSZRNPZEPT-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001420337401 926583323 /nfs/dbraw/zinc/58/33/23/926583323.db2.gz KDSPFQBNQUNSFL-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001420350075 926583523 /nfs/dbraw/zinc/58/35/23/926583523.db2.gz FPJWCHDFIAAVLL-MNOVXSKESA-N 1 1 307.416 -1.856 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)N2CCC2)C1 ZINC001420352667 926584347 /nfs/dbraw/zinc/58/43/47/926584347.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)N2CCC2)C1 ZINC001420352667 926584356 /nfs/dbraw/zinc/58/43/56/926584356.db2.gz QHIMNOFILGETFY-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)N(C)C)C1 ZINC001420351806 926585566 /nfs/dbraw/zinc/58/55/66/926585566.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)N(C)C)C1 ZINC001420351806 926585570 /nfs/dbraw/zinc/58/55/70/926585570.db2.gz NEDCHROZQIYMMQ-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001420371589 926588271 /nfs/dbraw/zinc/58/82/71/926588271.db2.gz BRZGDBYPUYUEQE-MRVPVSSYSA-N 1 1 306.330 -1.788 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001420372369 926588426 /nfs/dbraw/zinc/58/84/26/926588426.db2.gz BUVPBNHJTSUOQR-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001420372369 926588436 /nfs/dbraw/zinc/58/84/36/926588436.db2.gz BUVPBNHJTSUOQR-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1CS(=O)(=O)C1)c1nnnn1C ZINC001420419453 926589278 /nfs/dbraw/zinc/58/92/78/926589278.db2.gz SBQVILWQDTXIPJ-JGVFFNPUSA-N 1 1 316.387 -1.590 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H](C)OC ZINC001420414864 926589344 /nfs/dbraw/zinc/58/93/44/926589344.db2.gz MFKBCSLQWKLPRW-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)Cn1ncnn1 ZINC001420419053 926590512 /nfs/dbraw/zinc/59/05/12/926590512.db2.gz DSSSMXMGWCHCOW-JTQLQIEISA-N 1 1 319.373 -1.105 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc[nH]n1)CCN1CCNC1=O ZINC001420440994 926591498 /nfs/dbraw/zinc/59/14/98/926591498.db2.gz WRLHPMAQQGBONS-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)CCN1CCNC1=O ZINC001420440994 926591501 /nfs/dbraw/zinc/59/15/01/926591501.db2.gz WRLHPMAQQGBONS-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)CCN1CCNC1=O ZINC001420440994 926591506 /nfs/dbraw/zinc/59/15/06/926591506.db2.gz WRLHPMAQQGBONS-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(N)=O ZINC001420441313 926591572 /nfs/dbraw/zinc/59/15/72/926591572.db2.gz WAZMVIABFKGXNU-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(N)=O ZINC001420441313 926591575 /nfs/dbraw/zinc/59/15/75/926591575.db2.gz WAZMVIABFKGXNU-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420443159 926592257 /nfs/dbraw/zinc/59/22/57/926592257.db2.gz DSXRHSQBQAAVPX-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420443159 926592262 /nfs/dbraw/zinc/59/22/62/926592262.db2.gz DSXRHSQBQAAVPX-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C[C@@H](C)O ZINC001420427283 926592398 /nfs/dbraw/zinc/59/23/98/926592398.db2.gz OQFGUVMSIUPQDU-SNVBAGLBSA-N 1 1 312.370 -1.484 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001420424777 926593119 /nfs/dbraw/zinc/59/31/19/926593119.db2.gz IKUIXWXDHDBXIJ-NWDGAFQWSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001420458195 926593697 /nfs/dbraw/zinc/59/36/97/926593697.db2.gz QIUCJFMUVQSYFJ-IONNQARKSA-N 1 1 308.346 -1.716 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001420478621 926594033 /nfs/dbraw/zinc/59/40/33/926594033.db2.gz ZBBPEWQCIKKASX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001420478621 926594042 /nfs/dbraw/zinc/59/40/42/926594042.db2.gz ZBBPEWQCIKKASX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001420478601 926594564 /nfs/dbraw/zinc/59/45/64/926594564.db2.gz CCRNLYKLFZIOPD-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001420478601 926594571 /nfs/dbraw/zinc/59/45/71/926594571.db2.gz CCRNLYKLFZIOPD-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001420479198 926594660 /nfs/dbraw/zinc/59/46/60/926594660.db2.gz JLDRGZMJVACIFW-UWVGGRQHSA-N 1 1 320.353 -1.023 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001420478622 926594844 /nfs/dbraw/zinc/59/48/44/926594844.db2.gz ZBBPEWQCIKKASX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001420478622 926594848 /nfs/dbraw/zinc/59/48/48/926594848.db2.gz ZBBPEWQCIKKASX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccon1 ZINC001420454872 926594882 /nfs/dbraw/zinc/59/48/82/926594882.db2.gz NLNMZAQXHKSOLT-QMMMGPOBSA-N 1 1 305.360 -1.677 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)COC ZINC001420468175 926595018 /nfs/dbraw/zinc/59/50/18/926595018.db2.gz ITGFHGHHIGRDGB-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001420496636 926595922 /nfs/dbraw/zinc/59/59/22/926595922.db2.gz BKMJMSQUGBOWNR-UONOGXRCSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cc1nc[nH]n1 ZINC001420495733 926596449 /nfs/dbraw/zinc/59/64/49/926596449.db2.gz VUBIEBVHIFAQET-VIFPVBQESA-N 1 1 320.357 -1.237 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)S(C)(=O)=O ZINC001420485947 926596528 /nfs/dbraw/zinc/59/65/28/926596528.db2.gz NMELSJBBISAUBY-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001420495168 926596984 /nfs/dbraw/zinc/59/69/84/926596984.db2.gz CXPLLANTMUNBGB-LLVKDONJSA-N 1 1 320.353 -1.536 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001420495670 926597340 /nfs/dbraw/zinc/59/73/40/926597340.db2.gz VAKKEBAOPYIIGR-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@H+]1CCCO)S(C)(=O)=O ZINC001420485945 926597383 /nfs/dbraw/zinc/59/73/83/926597383.db2.gz NMELSJBBISAUBY-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001420502239 926597710 /nfs/dbraw/zinc/59/77/10/926597710.db2.gz LMNKFKZXTDDYRB-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)COCc2nncn2C)C1 ZINC001420534475 926598934 /nfs/dbraw/zinc/59/89/34/926598934.db2.gz AGKXAPMZXLEECM-WDEREUQCSA-N 1 1 324.385 -1.356 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001420532302 926599390 /nfs/dbraw/zinc/59/93/90/926599390.db2.gz QCQJWKJFBQGKEB-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001420535088 926599451 /nfs/dbraw/zinc/59/94/51/926599451.db2.gz CLIYHFZSXKVMTO-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001420534747 926599501 /nfs/dbraw/zinc/59/95/01/926599501.db2.gz GEEPSHFGWYSSEF-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001420534747 926599509 /nfs/dbraw/zinc/59/95/09/926599509.db2.gz GEEPSHFGWYSSEF-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)c1nnnn1C ZINC001420520352 926599890 /nfs/dbraw/zinc/59/98/90/926599890.db2.gz HNYWZBZSTQPCPN-AEJSXWLSSA-N 1 1 324.389 -1.092 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)COCc2nncn2C)C1 ZINC001420534465 926600019 /nfs/dbraw/zinc/60/00/19/926600019.db2.gz AGKXAPMZXLEECM-MNOVXSKESA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001420545704 926601194 /nfs/dbraw/zinc/60/11/94/926601194.db2.gz VRVLLRVNVQKYTM-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001420545704 926601201 /nfs/dbraw/zinc/60/12/01/926601201.db2.gz VRVLLRVNVQKYTM-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420553774 926601337 /nfs/dbraw/zinc/60/13/37/926601337.db2.gz FTEAOUGYEJOKGM-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420553774 926601341 /nfs/dbraw/zinc/60/13/41/926601341.db2.gz FTEAOUGYEJOKGM-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001420560612 926602256 /nfs/dbraw/zinc/60/22/56/926602256.db2.gz BQNAFRKONCTHJR-GHMZBOCLSA-N 1 1 323.415 -2.019 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420553394 926602294 /nfs/dbraw/zinc/60/22/94/926602294.db2.gz UYUZZARGYQXMKP-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1COC(=O)N1 ZINC001420576339 926602387 /nfs/dbraw/zinc/60/23/87/926602387.db2.gz PCVFZZFAQUGDMM-NXEZZACHSA-N 1 1 313.358 -1.444 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001420555213 926602451 /nfs/dbraw/zinc/60/24/51/926602451.db2.gz XECRRDWUGVEAIT-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)CC1=O ZINC001420584633 926603736 /nfs/dbraw/zinc/60/37/36/926603736.db2.gz QYXANSKXPKUWPK-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001420591406 926603810 /nfs/dbraw/zinc/60/38/10/926603810.db2.gz DPWYHLBZVSOHOY-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603191 926604264 /nfs/dbraw/zinc/60/42/64/926604264.db2.gz TXONMKJFNZTXTN-VHSXEESVSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603191 926604267 /nfs/dbraw/zinc/60/42/67/926604267.db2.gz TXONMKJFNZTXTN-VHSXEESVSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420605665 926604544 /nfs/dbraw/zinc/60/45/44/926604544.db2.gz BKLYNJMAYDVYHR-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420605665 926604545 /nfs/dbraw/zinc/60/45/45/926604545.db2.gz BKLYNJMAYDVYHR-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001420610177 926604687 /nfs/dbraw/zinc/60/46/87/926604687.db2.gz GAJDCRUARQAXCT-LLVKDONJSA-N 1 1 323.401 -1.061 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001420610177 926604696 /nfs/dbraw/zinc/60/46/96/926604696.db2.gz GAJDCRUARQAXCT-LLVKDONJSA-N 1 1 323.401 -1.061 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623858 926605526 /nfs/dbraw/zinc/60/55/26/926605526.db2.gz XCMPSICOLBTVCG-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623858 926605535 /nfs/dbraw/zinc/60/55/35/926605535.db2.gz XCMPSICOLBTVCG-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001420631644 926605595 /nfs/dbraw/zinc/60/55/95/926605595.db2.gz ZFLGHGXYMZVAQY-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001420631644 926605606 /nfs/dbraw/zinc/60/56/06/926605606.db2.gz ZFLGHGXYMZVAQY-NNYUYHANSA-N 1 1 319.427 -1.136 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001420651909 926606006 /nfs/dbraw/zinc/60/60/06/926606006.db2.gz ALXANCOWARBKHW-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001420644172 926606280 /nfs/dbraw/zinc/60/62/80/926606280.db2.gz HCYRKHQUNGANGD-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001420651902 926606534 /nfs/dbraw/zinc/60/65/34/926606534.db2.gz ALXANCOWARBKHW-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001420628599 926606985 /nfs/dbraw/zinc/60/69/85/926606985.db2.gz IKSMZNYQCKZXNN-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001420628599 926606990 /nfs/dbraw/zinc/60/69/90/926606990.db2.gz IKSMZNYQCKZXNN-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001420643272 926607011 /nfs/dbraw/zinc/60/70/11/926607011.db2.gz HFGDKUQLOHUQDS-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001420643272 926607016 /nfs/dbraw/zinc/60/70/16/926607016.db2.gz HFGDKUQLOHUQDS-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnsn1)C1CC1 ZINC001420637085 926607098 /nfs/dbraw/zinc/60/70/98/926607098.db2.gz QBHYLQQSTIQAKR-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnsn1)C1CC1 ZINC001420637085 926607102 /nfs/dbraw/zinc/60/71/02/926607102.db2.gz QBHYLQQSTIQAKR-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001420633051 926607320 /nfs/dbraw/zinc/60/73/20/926607320.db2.gz AGRODDZXWKDBBR-LBPRGKRZSA-N 1 1 323.401 -1.117 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001420623317 926607337 /nfs/dbraw/zinc/60/73/37/926607337.db2.gz WAJSSWDGALEZPD-QWRGUYRKSA-N 1 1 322.431 -1.487 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420627608 926607464 /nfs/dbraw/zinc/60/74/64/926607464.db2.gz WPNKDKAJLSVMOU-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420627608 926607468 /nfs/dbraw/zinc/60/74/68/926607468.db2.gz WPNKDKAJLSVMOU-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420627609 926607484 /nfs/dbraw/zinc/60/74/84/926607484.db2.gz WPNKDKAJLSVMOU-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420627609 926607490 /nfs/dbraw/zinc/60/74/90/926607490.db2.gz WPNKDKAJLSVMOU-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCN(C)C2=O)n1 ZINC001420668606 926608364 /nfs/dbraw/zinc/60/83/64/926608364.db2.gz FLGHCRFMYDLKEF-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCN(C)C2=O)n1 ZINC001420668606 926608370 /nfs/dbraw/zinc/60/83/70/926608370.db2.gz FLGHCRFMYDLKEF-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661402 926609117 /nfs/dbraw/zinc/60/91/17/926609117.db2.gz ONZPJZOUEDTQIZ-NEPJUHHUSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661402 926609123 /nfs/dbraw/zinc/60/91/23/926609123.db2.gz ONZPJZOUEDTQIZ-NEPJUHHUSA-N 1 1 321.443 -1.466 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCN(C)C2=O)n1 ZINC001420668660 926609269 /nfs/dbraw/zinc/60/92/69/926609269.db2.gz FLGHCRFMYDLKEF-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCN(C)C2=O)n1 ZINC001420668660 926609272 /nfs/dbraw/zinc/60/92/72/926609272.db2.gz FLGHCRFMYDLKEF-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001420705787 926609901 /nfs/dbraw/zinc/60/99/01/926609901.db2.gz NJPALLUFSZHNLM-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001420705787 926609905 /nfs/dbraw/zinc/60/99/05/926609905.db2.gz NJPALLUFSZHNLM-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO CCC[C@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001420704235 926610381 /nfs/dbraw/zinc/61/03/81/926610381.db2.gz HFEBFJKHKKNAEW-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001420705785 926610951 /nfs/dbraw/zinc/61/09/51/926610951.db2.gz NJPALLUFSZHNLM-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001420705785 926610956 /nfs/dbraw/zinc/61/09/56/926610956.db2.gz NJPALLUFSZHNLM-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CS(C)(=O)=O)c1nncn1C ZINC001420714857 926612391 /nfs/dbraw/zinc/61/23/91/926612391.db2.gz LJGJPMMXPCXNHP-VIFPVBQESA-N 1 1 303.388 -1.031 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)c1c[nH]c(=O)cn1)c1nnnn1C ZINC001420722027 926612821 /nfs/dbraw/zinc/61/28/21/926612821.db2.gz DUKPERHMTQXHFS-MRVPVSSYSA-N 1 1 306.330 -1.284 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001420761664 926615025 /nfs/dbraw/zinc/61/50/25/926615025.db2.gz DXMOBTWYZPATIM-UWVGGRQHSA-N 1 1 322.373 -1.782 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C[NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001420741573 926615457 /nfs/dbraw/zinc/61/54/57/926615457.db2.gz QPIXBMNTMLQWDY-SCZZXKLOSA-N 1 1 324.389 -1.316 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001420786974 926617070 /nfs/dbraw/zinc/61/70/70/926617070.db2.gz CVXDFWHBGHIXPF-PHIMTYICSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001420786974 926617079 /nfs/dbraw/zinc/61/70/79/926617079.db2.gz CVXDFWHBGHIXPF-PHIMTYICSA-N 1 1 305.400 -1.455 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001420790350 926617297 /nfs/dbraw/zinc/61/72/97/926617297.db2.gz PZIJSUVWHJRPKV-AXFHLTTASA-N 1 1 309.370 -1.521 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001420803478 926617512 /nfs/dbraw/zinc/61/75/12/926617512.db2.gz KWTPCFZNXRIIPF-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001420803478 926617520 /nfs/dbraw/zinc/61/75/20/926617520.db2.gz KWTPCFZNXRIIPF-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001420776190 926617885 /nfs/dbraw/zinc/61/78/85/926617885.db2.gz SOUPIKYZZSTRGJ-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001420792096 926617926 /nfs/dbraw/zinc/61/79/26/926617926.db2.gz BUKMHYITLOEGHW-CHWSQXEVSA-N 1 1 309.370 -1.429 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001420837262 926618594 /nfs/dbraw/zinc/61/85/94/926618594.db2.gz FXXJYOFMSCGMDZ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001420837262 926618598 /nfs/dbraw/zinc/61/85/98/926618598.db2.gz FXXJYOFMSCGMDZ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O ZINC001420837264 926619056 /nfs/dbraw/zinc/61/90/56/926619056.db2.gz FXXJYOFMSCGMDZ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O ZINC001420837264 926619062 /nfs/dbraw/zinc/61/90/62/926619062.db2.gz FXXJYOFMSCGMDZ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420831393 926619122 /nfs/dbraw/zinc/61/91/22/926619122.db2.gz HLKQMFOVKLGMCH-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001420807585 926619348 /nfs/dbraw/zinc/61/93/48/926619348.db2.gz BUXJSNHDIUKLNQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420807585 926619354 /nfs/dbraw/zinc/61/93/54/926619354.db2.gz BUXJSNHDIUKLNQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001420807590 926619497 /nfs/dbraw/zinc/61/94/97/926619497.db2.gz BUXJSNHDIUKLNQ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420807590 926619504 /nfs/dbraw/zinc/61/95/04/926619504.db2.gz BUXJSNHDIUKLNQ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420861452 926620637 /nfs/dbraw/zinc/62/06/37/926620637.db2.gz YYEMQNWIEDGVLW-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420861452 926620646 /nfs/dbraw/zinc/62/06/46/926620646.db2.gz YYEMQNWIEDGVLW-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420855244 926620847 /nfs/dbraw/zinc/62/08/47/926620847.db2.gz NKYVXEVAOVSDDP-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001420846984 926621005 /nfs/dbraw/zinc/62/10/05/926621005.db2.gz RETWMCVYGGTGGE-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420849911 926621485 /nfs/dbraw/zinc/62/14/85/926621485.db2.gz VZCLCSHKDVEVAD-SNVBAGLBSA-N 1 1 312.374 -1.869 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420849911 926621488 /nfs/dbraw/zinc/62/14/88/926621488.db2.gz VZCLCSHKDVEVAD-SNVBAGLBSA-N 1 1 312.374 -1.869 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420861451 926621502 /nfs/dbraw/zinc/62/15/02/926621502.db2.gz YYEMQNWIEDGVLW-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420861451 926621504 /nfs/dbraw/zinc/62/15/04/926621504.db2.gz YYEMQNWIEDGVLW-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001420878861 926622729 /nfs/dbraw/zinc/62/27/29/926622729.db2.gz UCYWHWYQNGBMLX-QWRGUYRKSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420881755 926622984 /nfs/dbraw/zinc/62/29/84/926622984.db2.gz ZHWZIYMFLIDCKD-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001420882576 926623488 /nfs/dbraw/zinc/62/34/88/926623488.db2.gz FWPYYLAJMARSBT-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001420881919 926623828 /nfs/dbraw/zinc/62/38/28/926623828.db2.gz PGTNLMNAFQMHIR-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001420878441 926623921 /nfs/dbraw/zinc/62/39/21/926623921.db2.gz WGYZUTYLUJDIHI-SNVBAGLBSA-N 1 1 307.354 -1.042 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)C(C)C ZINC001420877761 926624123 /nfs/dbraw/zinc/62/41/23/926624123.db2.gz SLUJHTSLBRFLSC-AAEUAGOBSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)C(C)C ZINC001420877761 926624130 /nfs/dbraw/zinc/62/41/30/926624130.db2.gz SLUJHTSLBRFLSC-AAEUAGOBSA-N 1 1 301.387 -1.044 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001420886629 926624967 /nfs/dbraw/zinc/62/49/67/926624967.db2.gz TZVXHPJHUHOPCI-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420892154 926626034 /nfs/dbraw/zinc/62/60/34/926626034.db2.gz SMWMFCOWMPESNW-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN1CCN(CC(N)=O)CC1 ZINC001420905919 926626108 /nfs/dbraw/zinc/62/61/08/926626108.db2.gz LGALTUTVTDCOOI-UHFFFAOYSA-N 1 1 313.446 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001420897572 926626347 /nfs/dbraw/zinc/62/63/47/926626347.db2.gz IISYZFNBUZPLBU-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO NC(=O)NCCC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420892029 926626480 /nfs/dbraw/zinc/62/64/80/926626480.db2.gz RWJDHNQGGKNVEA-MNOVXSKESA-N 1 1 311.386 -1.239 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420916503 926626824 /nfs/dbraw/zinc/62/68/24/926626824.db2.gz YCNNWCHCFZHZEX-NWDGAFQWSA-N 1 1 323.401 -1.070 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001420928258 926628006 /nfs/dbraw/zinc/62/80/06/926628006.db2.gz UCGUMSFPIZLXPP-LLVKDONJSA-N 1 1 314.386 -1.643 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420930571 926628079 /nfs/dbraw/zinc/62/80/79/926628079.db2.gz CBTHQEPXYGGEAO-NSHDSACASA-N 1 1 324.385 -1.460 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420913141 926628209 /nfs/dbraw/zinc/62/82/09/926628209.db2.gz PQCCFYFTNPERKJ-NSHDSACASA-N 1 1 309.374 -1.458 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001420946634 926629933 /nfs/dbraw/zinc/62/99/33/926629933.db2.gz HIYWFKDNBMARRQ-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001420957373 926629989 /nfs/dbraw/zinc/62/99/89/926629989.db2.gz VTTUWTWIAMYXJQ-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)Cn2ncnn2)CC1)c1nncn1C ZINC001420944391 926630214 /nfs/dbraw/zinc/63/02/14/926630214.db2.gz YUYSGSKGVUDOPW-SECBINFHSA-N 1 1 305.346 -1.199 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001420936649 926630227 /nfs/dbraw/zinc/63/02/27/926630227.db2.gz HXKIKMPOQAZAOF-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)Cn2ncnn2)CC1)c1nncn1C ZINC001420944451 926630257 /nfs/dbraw/zinc/63/02/57/926630257.db2.gz YUYSGSKGVUDOPW-VIFPVBQESA-N 1 1 305.346 -1.199 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001420935615 926630287 /nfs/dbraw/zinc/63/02/87/926630287.db2.gz GTHHABQARGPOJN-VXGBXAGGSA-N 1 1 312.374 -1.539 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001420989259 926631872 /nfs/dbraw/zinc/63/18/72/926631872.db2.gz BBUSABMOVBXMHZ-QMMMGPOBSA-N 1 1 309.330 -1.607 20 0 DAADMO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001421015738 926634555 /nfs/dbraw/zinc/63/45/55/926634555.db2.gz VAZJQMVQBHCYGZ-NWDGAFQWSA-N 1 1 324.381 -1.782 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001421031691 926636507 /nfs/dbraw/zinc/63/65/07/926636507.db2.gz QHHLVYDEDMNSLA-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001421031691 926636510 /nfs/dbraw/zinc/63/65/10/926636510.db2.gz QHHLVYDEDMNSLA-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421048803 926638452 /nfs/dbraw/zinc/63/84/52/926638452.db2.gz FMQPXFRLOGQTPD-KOLCDFICSA-N 1 1 311.386 -1.193 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2ccccc2=O)C1 ZINC001421095537 926642519 /nfs/dbraw/zinc/64/25/19/926642519.db2.gz UZLGRZGQOCHCIT-ZDUSSCGKSA-N 1 1 309.366 -1.002 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001421116825 926645940 /nfs/dbraw/zinc/64/59/40/926645940.db2.gz WMBZCZVIKTVHSJ-KOLCDFICSA-N 1 1 305.400 -1.361 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001421116837 926647063 /nfs/dbraw/zinc/64/70/63/926647063.db2.gz WMBZCZVIKTVHSJ-ONGXEEELSA-N 1 1 305.400 -1.361 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001421139321 926647867 /nfs/dbraw/zinc/64/78/67/926647867.db2.gz PIKOZANRWSKMBJ-SECBINFHSA-N 1 1 320.415 -1.892 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421149965 926650725 /nfs/dbraw/zinc/65/07/25/926650725.db2.gz PNZFTJOVQSXDSZ-RYUDHWBXSA-N 1 1 308.382 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001421178297 926652277 /nfs/dbraw/zinc/65/22/77/926652277.db2.gz JLQWNBBLKCKONS-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CCCC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421174004 926652791 /nfs/dbraw/zinc/65/27/91/926652791.db2.gz OHCHTGVTQKRNPH-WDEREUQCSA-N 1 1 311.386 -1.240 20 0 DAADMO CCCC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421174000 926652905 /nfs/dbraw/zinc/65/29/05/926652905.db2.gz OHCHTGVTQKRNPH-QWRGUYRKSA-N 1 1 311.386 -1.240 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001421189747 926653127 /nfs/dbraw/zinc/65/31/27/926653127.db2.gz WQFPBFOVHMODNB-UHFFFAOYSA-N 1 1 319.369 -1.138 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421199532 926653957 /nfs/dbraw/zinc/65/39/57/926653957.db2.gz AQKOMRXSSWWWAV-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421199532 926653965 /nfs/dbraw/zinc/65/39/65/926653965.db2.gz AQKOMRXSSWWWAV-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421198204 926655165 /nfs/dbraw/zinc/65/51/65/926655165.db2.gz QUOAXKDRTLTHAV-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421198204 926655170 /nfs/dbraw/zinc/65/51/70/926655170.db2.gz QUOAXKDRTLTHAV-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O)C(N)=O ZINC001421203188 926655414 /nfs/dbraw/zinc/65/54/14/926655414.db2.gz JVNJINYHFAZIKO-QTKMDUPCSA-N 1 1 312.370 -1.968 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001421197480 926655756 /nfs/dbraw/zinc/65/57/56/926655756.db2.gz QUENFSXBKCZDNH-DCAQKATOSA-N 1 1 307.358 -1.380 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001421197480 926655764 /nfs/dbraw/zinc/65/57/64/926655764.db2.gz QUENFSXBKCZDNH-DCAQKATOSA-N 1 1 307.358 -1.380 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001421226812 926656523 /nfs/dbraw/zinc/65/65/23/926656523.db2.gz ZCBFDBKCEVFLGC-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001421226812 926656527 /nfs/dbraw/zinc/65/65/27/926656527.db2.gz ZCBFDBKCEVFLGC-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCS(N)(=O)=O ZINC001421216012 926657379 /nfs/dbraw/zinc/65/73/79/926657379.db2.gz IJLFUILGPPBBOT-DCAQKATOSA-N 1 1 305.400 -1.279 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001421215555 926657612 /nfs/dbraw/zinc/65/76/12/926657612.db2.gz CSTXYAONUZWGMJ-LBPRGKRZSA-N 1 1 322.431 -1.655 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001421220927 926657993 /nfs/dbraw/zinc/65/79/93/926657993.db2.gz ONGYVYZMSHOVTA-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001421220927 926658005 /nfs/dbraw/zinc/65/80/05/926658005.db2.gz ONGYVYZMSHOVTA-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001421227961 926658557 /nfs/dbraw/zinc/65/85/57/926658557.db2.gz XQYOROWDZPZZIZ-QMTHXVAHSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001421227961 926658560 /nfs/dbraw/zinc/65/85/60/926658560.db2.gz XQYOROWDZPZZIZ-QMTHXVAHSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001421299456 926659413 /nfs/dbraw/zinc/65/94/13/926659413.db2.gz CJDQJENYUUQQBT-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001421299456 926659418 /nfs/dbraw/zinc/65/94/18/926659418.db2.gz CJDQJENYUUQQBT-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001421299889 926659962 /nfs/dbraw/zinc/65/99/62/926659962.db2.gz IWBQYUFZQHBWGQ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCS(=O)(=O)NC)C1 ZINC001421300435 926660183 /nfs/dbraw/zinc/66/01/83/926660183.db2.gz JSIJQTPFSKVXDR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCS(=O)(=O)NC)C1 ZINC001421300435 926660189 /nfs/dbraw/zinc/66/01/89/926660189.db2.gz JSIJQTPFSKVXDR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001421299892 926661051 /nfs/dbraw/zinc/66/10/51/926661051.db2.gz IWBQYUFZQHBWGQ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001421308452 926661803 /nfs/dbraw/zinc/66/18/03/926661803.db2.gz DCBSOUAAGFIRMD-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001421318650 926661853 /nfs/dbraw/zinc/66/18/53/926661853.db2.gz XCIFICUYGBRSDD-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001421317208 926662114 /nfs/dbraw/zinc/66/21/14/926662114.db2.gz HDLJOKXPORSJRI-JSGCOSHPSA-N 1 1 312.370 -1.557 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310611 926662427 /nfs/dbraw/zinc/66/24/27/926662427.db2.gz FUCOCRKJIZASJE-WDEREUQCSA-N 1 1 324.385 -1.262 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310611 926662437 /nfs/dbraw/zinc/66/24/37/926662437.db2.gz FUCOCRKJIZASJE-WDEREUQCSA-N 1 1 324.385 -1.262 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311691 926662607 /nfs/dbraw/zinc/66/26/07/926662607.db2.gz NJAYCJKITVOGET-UWVGGRQHSA-N 1 1 320.415 -1.538 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311691 926662610 /nfs/dbraw/zinc/66/26/10/926662610.db2.gz NJAYCJKITVOGET-UWVGGRQHSA-N 1 1 320.415 -1.538 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001421317214 926663334 /nfs/dbraw/zinc/66/33/34/926663334.db2.gz HDLJOKXPORSJRI-TZMCWYRMSA-N 1 1 312.370 -1.557 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310610 926663486 /nfs/dbraw/zinc/66/34/86/926663486.db2.gz FUCOCRKJIZASJE-QWRGUYRKSA-N 1 1 324.385 -1.262 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310610 926663496 /nfs/dbraw/zinc/66/34/96/926663496.db2.gz FUCOCRKJIZASJE-QWRGUYRKSA-N 1 1 324.385 -1.262 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001421323136 926663722 /nfs/dbraw/zinc/66/37/22/926663722.db2.gz YZZWJBYFHDPQHE-WCQYABFASA-N 1 1 322.427 -1.134 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001421323136 926663729 /nfs/dbraw/zinc/66/37/29/926663729.db2.gz YZZWJBYFHDPQHE-WCQYABFASA-N 1 1 322.427 -1.134 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421323979 926663792 /nfs/dbraw/zinc/66/37/92/926663792.db2.gz BPXARJHUWLIMQF-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421323979 926663797 /nfs/dbraw/zinc/66/37/97/926663797.db2.gz BPXARJHUWLIMQF-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO CC(C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421334517 926665392 /nfs/dbraw/zinc/66/53/92/926665392.db2.gz XEXWZLRTXJUBRC-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO CC(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421334517 926665404 /nfs/dbraw/zinc/66/54/04/926665404.db2.gz XEXWZLRTXJUBRC-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001421334511 926665730 /nfs/dbraw/zinc/66/57/30/926665730.db2.gz BQYHVDVOSYVNOH-TVQRCGJNSA-N 1 1 316.358 -1.970 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421334094 926665870 /nfs/dbraw/zinc/66/58/70/926665870.db2.gz ROFVEGAFXQYBHR-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421334094 926665879 /nfs/dbraw/zinc/66/58/79/926665879.db2.gz ROFVEGAFXQYBHR-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001421330433 926665970 /nfs/dbraw/zinc/66/59/70/926665970.db2.gz OEBGQTBWYIBZBN-ZANVPECISA-N 1 1 300.359 -2.190 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001421338790 926666223 /nfs/dbraw/zinc/66/62/23/926666223.db2.gz NMQXMRUFMXKAIT-RISCZKNCSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001421338790 926666230 /nfs/dbraw/zinc/66/62/30/926666230.db2.gz NMQXMRUFMXKAIT-RISCZKNCSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001421325486 926666246 /nfs/dbraw/zinc/66/62/46/926666246.db2.gz CSJHHXCMLCVIIT-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421331407 926666463 /nfs/dbraw/zinc/66/64/63/926666463.db2.gz OCGYCZKICJYIQU-RISCZKNCSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421331407 926666471 /nfs/dbraw/zinc/66/64/71/926666471.db2.gz OCGYCZKICJYIQU-RISCZKNCSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421330255 926666606 /nfs/dbraw/zinc/66/66/06/926666606.db2.gz NDZODYPBDYALEO-CYBMUJFWSA-N 1 1 320.357 -1.877 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328484 926666769 /nfs/dbraw/zinc/66/67/69/926666769.db2.gz LFKJHFZLPCDGIW-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328484 926666776 /nfs/dbraw/zinc/66/67/76/926666776.db2.gz LFKJHFZLPCDGIW-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001421336004 926666842 /nfs/dbraw/zinc/66/68/42/926666842.db2.gz XFOMQDCROLOEKM-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001421336004 926666850 /nfs/dbraw/zinc/66/68/50/926666850.db2.gz XFOMQDCROLOEKM-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001421335319 926666923 /nfs/dbraw/zinc/66/69/23/926666923.db2.gz UQJAHDSISLCHHV-NEPJUHHUSA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329316 926667055 /nfs/dbraw/zinc/66/70/55/926667055.db2.gz MCBNMHRZMYDRME-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329316 926667061 /nfs/dbraw/zinc/66/70/61/926667061.db2.gz MCBNMHRZMYDRME-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328487 926667075 /nfs/dbraw/zinc/66/70/75/926667075.db2.gz LFKJHFZLPCDGIW-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328487 926667078 /nfs/dbraw/zinc/66/70/78/926667078.db2.gz LFKJHFZLPCDGIW-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342460 926668278 /nfs/dbraw/zinc/66/82/78/926668278.db2.gz UNXFGGXIQJVVQC-UKRRQHHQSA-N 1 1 322.413 -1.075 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342460 926668286 /nfs/dbraw/zinc/66/82/86/926668286.db2.gz UNXFGGXIQJVVQC-UKRRQHHQSA-N 1 1 322.413 -1.075 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347354 926668415 /nfs/dbraw/zinc/66/84/15/926668415.db2.gz DEBDLHTWWIOUQX-HZMBPMFUSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347354 926668419 /nfs/dbraw/zinc/66/84/19/926668419.db2.gz DEBDLHTWWIOUQX-HZMBPMFUSA-N 1 1 324.385 -1.575 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001421346579 926668780 /nfs/dbraw/zinc/66/87/80/926668780.db2.gz HJGUTFNUSLPREG-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001421346579 926668785 /nfs/dbraw/zinc/66/87/85/926668785.db2.gz HJGUTFNUSLPREG-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421341063 926669368 /nfs/dbraw/zinc/66/93/68/926669368.db2.gz STVWZTHNUKZBCH-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421341063 926669378 /nfs/dbraw/zinc/66/93/78/926669378.db2.gz STVWZTHNUKZBCH-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001421343065 926669937 /nfs/dbraw/zinc/66/99/37/926669937.db2.gz APHIHYLYPOAIDB-NSHDSACASA-N 1 1 322.387 -3.084 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001421343065 926669940 /nfs/dbraw/zinc/66/99/40/926669940.db2.gz APHIHYLYPOAIDB-NSHDSACASA-N 1 1 322.387 -3.084 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001421348628 926670088 /nfs/dbraw/zinc/67/00/88/926670088.db2.gz MKULHHJRIYRNAD-XPTSAGLGSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001421348628 926670095 /nfs/dbraw/zinc/67/00/95/926670095.db2.gz MKULHHJRIYRNAD-XPTSAGLGSA-N 1 1 310.354 -1.048 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001421346594 926670113 /nfs/dbraw/zinc/67/01/13/926670113.db2.gz HJGUTFNUSLPREG-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001421346594 926670119 /nfs/dbraw/zinc/67/01/19/926670119.db2.gz HJGUTFNUSLPREG-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO O=C(COCC1CC1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421339720 926670225 /nfs/dbraw/zinc/67/02/25/926670225.db2.gz OZTQIJZLBFTJBB-WFASDCNBSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(COCC1CC1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421339720 926670232 /nfs/dbraw/zinc/67/02/32/926670232.db2.gz OZTQIJZLBFTJBB-WFASDCNBSA-N 1 1 311.382 -1.146 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001421356156 926671730 /nfs/dbraw/zinc/67/17/30/926671730.db2.gz CTHSPKFKOGZCMW-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001421356156 926671742 /nfs/dbraw/zinc/67/17/42/926671742.db2.gz CTHSPKFKOGZCMW-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001421358374 926672730 /nfs/dbraw/zinc/67/27/30/926672730.db2.gz IGXUHAZWDFZALZ-AWEZNQCLSA-N 1 1 323.353 -1.935 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001421358374 926672738 /nfs/dbraw/zinc/67/27/38/926672738.db2.gz IGXUHAZWDFZALZ-AWEZNQCLSA-N 1 1 323.353 -1.935 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356531 926673100 /nfs/dbraw/zinc/67/31/00/926673100.db2.gz PNKGUJUCLIDZMB-BXUZGUMPSA-N 1 1 324.385 -1.520 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356531 926673114 /nfs/dbraw/zinc/67/31/14/926673114.db2.gz PNKGUJUCLIDZMB-BXUZGUMPSA-N 1 1 324.385 -1.520 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421349885 926673980 /nfs/dbraw/zinc/67/39/80/926673980.db2.gz RMTPVIFLEIJDNG-NHYWBVRUSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421349885 926673989 /nfs/dbraw/zinc/67/39/89/926673989.db2.gz RMTPVIFLEIJDNG-NHYWBVRUSA-N 1 1 321.381 -1.042 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001421353859 926674257 /nfs/dbraw/zinc/67/42/57/926674257.db2.gz LAIRNXRHCCNPBS-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001421368920 926675680 /nfs/dbraw/zinc/67/56/80/926675680.db2.gz PAWAKVFLVUAUHL-YMTOWFKASA-N 1 1 320.353 -1.100 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001421366231 926675860 /nfs/dbraw/zinc/67/58/60/926675860.db2.gz UKHHYHYFGJVJMA-YGRLFVJLSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001421366231 926675870 /nfs/dbraw/zinc/67/58/70/926675870.db2.gz UKHHYHYFGJVJMA-YGRLFVJLSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1cc(C)n(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001421365124 926676174 /nfs/dbraw/zinc/67/61/74/926676174.db2.gz AXZMQSXYFKEASM-OAHLLOKOSA-N 1 1 323.397 -1.072 20 0 DAADMO Cc1cc(C)n(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001421365124 926676188 /nfs/dbraw/zinc/67/61/88/926676188.db2.gz AXZMQSXYFKEASM-OAHLLOKOSA-N 1 1 323.397 -1.072 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001421368584 926676270 /nfs/dbraw/zinc/67/62/70/926676270.db2.gz ZSRJYNLPYGOEMC-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001421368908 926676556 /nfs/dbraw/zinc/67/65/56/926676556.db2.gz PAWAKVFLVUAUHL-OTYXRUKQSA-N 1 1 320.353 -1.100 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001421360197 926676955 /nfs/dbraw/zinc/67/69/55/926676955.db2.gz MKKORZKLIHRNFL-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001421359534 926677028 /nfs/dbraw/zinc/67/70/28/926677028.db2.gz DNFJAIZCZNVWFN-FZMZJTMJSA-N 1 1 315.370 -2.221 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421362420 926677316 /nfs/dbraw/zinc/67/73/16/926677316.db2.gz ILMNVYKCQDMTPH-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421362420 926677324 /nfs/dbraw/zinc/67/73/24/926677324.db2.gz ILMNVYKCQDMTPH-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421370305 926678683 /nfs/dbraw/zinc/67/86/83/926678683.db2.gz RUUNHKGYLJKCQU-IAQYHMDHSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421370305 926678688 /nfs/dbraw/zinc/67/86/88/926678688.db2.gz RUUNHKGYLJKCQU-IAQYHMDHSA-N 1 1 323.397 -1.302 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421369991 926679391 /nfs/dbraw/zinc/67/93/91/926679391.db2.gz XHVHASNWTYKENF-ZDUSSCGKSA-N 1 1 320.357 -1.727 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001421373793 926679479 /nfs/dbraw/zinc/67/94/79/926679479.db2.gz VSDVEQFFGLDNRO-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001421373793 926679488 /nfs/dbraw/zinc/67/94/88/926679488.db2.gz VSDVEQFFGLDNRO-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372285 926679508 /nfs/dbraw/zinc/67/95/08/926679508.db2.gz BBCDUPRTLQKOLW-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372285 926679519 /nfs/dbraw/zinc/67/95/19/926679519.db2.gz BBCDUPRTLQKOLW-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421378244 926679569 /nfs/dbraw/zinc/67/95/69/926679569.db2.gz FKWOSISBILAVDR-WFASDCNBSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421378244 926679579 /nfs/dbraw/zinc/67/95/79/926679579.db2.gz FKWOSISBILAVDR-WFASDCNBSA-N 1 1 321.381 -1.367 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001421381404 926679786 /nfs/dbraw/zinc/67/97/86/926679786.db2.gz HZLPLLSDOXMZKB-FIXISWKDSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001421381404 926679799 /nfs/dbraw/zinc/67/97/99/926679799.db2.gz HZLPLLSDOXMZKB-FIXISWKDSA-N 1 1 324.381 -1.220 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 ZINC001421372453 926680429 /nfs/dbraw/zinc/68/04/29/926680429.db2.gz IXITYLRFZLVAIZ-XUJVJEKNSA-N 1 1 321.381 -1.406 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001421375704 926680496 /nfs/dbraw/zinc/68/04/96/926680496.db2.gz KTKMMWVEDMEWSF-IINYFYTJSA-N 1 1 310.354 -1.095 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421378768 926680556 /nfs/dbraw/zinc/68/05/56/926680556.db2.gz QVCGIKRAFYEUSK-HZMBPMFUSA-N 1 1 310.354 -1.029 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001421374039 926680618 /nfs/dbraw/zinc/68/06/18/926680618.db2.gz IMIMRVIDKJVAJT-BXUZGUMPSA-N 1 1 322.369 -1.846 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1)[C@H]1CNC(=O)N1 ZINC001421376974 926680735 /nfs/dbraw/zinc/68/07/35/926680735.db2.gz NKMHXHWYHVUHQC-IUODEOHRSA-N 1 1 319.365 -1.184 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1)[C@H]1CNC(=O)N1 ZINC001421376969 926680865 /nfs/dbraw/zinc/68/08/65/926680865.db2.gz NKMHXHWYHVUHQC-DOMZBBRYSA-N 1 1 319.365 -1.184 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccn2nnnc2c1 ZINC001421370396 926680910 /nfs/dbraw/zinc/68/09/10/926680910.db2.gz MWIOQSGIASHRIT-ZDUSSCGKSA-N 1 1 306.326 -1.717 20 0 DAADMO CCC1(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001421374826 926681328 /nfs/dbraw/zinc/68/13/28/926681328.db2.gz IZINEKXRUBITNT-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO CCC1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001421374826 926681334 /nfs/dbraw/zinc/68/13/34/926681334.db2.gz IZINEKXRUBITNT-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389821 926682074 /nfs/dbraw/zinc/68/20/74/926682074.db2.gz FNMAVJIEPXSCSL-HZMBPMFUSA-N 1 1 324.385 -1.542 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001421389361 926682408 /nfs/dbraw/zinc/68/24/08/926682408.db2.gz VJKZSIQIGYNFEL-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H](C)O)C2)cnn1C ZINC001421391339 926682635 /nfs/dbraw/zinc/68/26/35/926682635.db2.gz HANAIHOIAJCAKE-QMTHXVAHSA-N 1 1 312.370 -1.024 20 0 DAADMO Cn1ncc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421383670 926682810 /nfs/dbraw/zinc/68/28/10/926682810.db2.gz BYZVCQSTOONBBE-IUODEOHRSA-N 1 1 322.413 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001421392939 926682847 /nfs/dbraw/zinc/68/28/47/926682847.db2.gz PAHQVFDZWRHIQH-ABAIWWIYSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001421392939 926682858 /nfs/dbraw/zinc/68/28/58/926682858.db2.gz PAHQVFDZWRHIQH-ABAIWWIYSA-N 1 1 323.397 -1.177 20 0 DAADMO COc1cccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001421383962 926682994 /nfs/dbraw/zinc/68/29/94/926682994.db2.gz NEUWXFGHMPOBSD-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001421383962 926682995 /nfs/dbraw/zinc/68/29/95/926682995.db2.gz NEUWXFGHMPOBSD-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391932 926683195 /nfs/dbraw/zinc/68/31/95/926683195.db2.gz NBFMEMZYNZSXOA-TVQRCGJNSA-N 1 1 311.342 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391932 926683205 /nfs/dbraw/zinc/68/32/05/926683205.db2.gz NBFMEMZYNZSXOA-TVQRCGJNSA-N 1 1 311.342 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391935 926684008 /nfs/dbraw/zinc/68/40/08/926684008.db2.gz NBFMEMZYNZSXOA-ZANVPECISA-N 1 1 311.342 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391935 926684016 /nfs/dbraw/zinc/68/40/16/926684016.db2.gz NBFMEMZYNZSXOA-ZANVPECISA-N 1 1 311.342 -1.321 20 0 DAADMO Cn1ncnc1CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421385044 926684720 /nfs/dbraw/zinc/68/47/20/926684720.db2.gz GMKOCSLYYABBRH-DOMZBBRYSA-N 1 1 322.413 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001421392944 926684952 /nfs/dbraw/zinc/68/49/52/926684952.db2.gz PAHQVFDZWRHIQH-IAQYHMDHSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)c2cnn(C)c2)C1 ZINC001421392944 926684964 /nfs/dbraw/zinc/68/49/64/926684964.db2.gz PAHQVFDZWRHIQH-IAQYHMDHSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001421394983 926686459 /nfs/dbraw/zinc/68/64/59/926686459.db2.gz WJYXXHIWRWSSEQ-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001421394983 926686479 /nfs/dbraw/zinc/68/64/79/926686479.db2.gz WJYXXHIWRWSSEQ-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398156 926687033 /nfs/dbraw/zinc/68/70/33/926687033.db2.gz RJRGVFOKVRXCEY-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398156 926687045 /nfs/dbraw/zinc/68/70/45/926687045.db2.gz RJRGVFOKVRXCEY-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395191 926687484 /nfs/dbraw/zinc/68/74/84/926687484.db2.gz QESKVYHYRNBVAN-NHYWBVRUSA-N 1 1 322.365 -1.725 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395191 926687493 /nfs/dbraw/zinc/68/74/93/926687493.db2.gz QESKVYHYRNBVAN-NHYWBVRUSA-N 1 1 322.365 -1.725 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c(=O)c1 ZINC001421395302 926687708 /nfs/dbraw/zinc/68/77/08/926687708.db2.gz XKQPCAFPACTXKM-HNNXBMFYSA-N 1 1 309.366 -1.298 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001421403181 926687864 /nfs/dbraw/zinc/68/78/64/926687864.db2.gz CXMUUGIAGGGTEE-HUUCEWRRSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398152 926688106 /nfs/dbraw/zinc/68/81/06/926688106.db2.gz RJRGVFOKVRXCEY-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398152 926688120 /nfs/dbraw/zinc/68/81/20/926688120.db2.gz RJRGVFOKVRXCEY-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001421403190 926688917 /nfs/dbraw/zinc/68/89/17/926688917.db2.gz CXMUUGIAGGGTEE-LSDHHAIUSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc(C)cn2)C1 ZINC001421395483 926688928 /nfs/dbraw/zinc/68/89/28/926688928.db2.gz XFEZJYHJGRLZQR-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc(C)cn2)C1 ZINC001421395483 926688935 /nfs/dbraw/zinc/68/89/35/926688935.db2.gz XFEZJYHJGRLZQR-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)cnn1C ZINC001421395989 926689039 /nfs/dbraw/zinc/68/90/39/926689039.db2.gz LFOZIXRATGPIGR-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001421396744 926689063 /nfs/dbraw/zinc/68/90/63/926689063.db2.gz NSGMZYAOVDPHNA-CYBMUJFWSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001421396744 926689072 /nfs/dbraw/zinc/68/90/72/926689072.db2.gz NSGMZYAOVDPHNA-CYBMUJFWSA-N 1 1 311.342 -1.239 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)c1 ZINC001421411397 926690761 /nfs/dbraw/zinc/69/07/61/926690761.db2.gz LPTQMAKOJFYDFW-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)c1 ZINC001421411397 926690770 /nfs/dbraw/zinc/69/07/70/926690770.db2.gz LPTQMAKOJFYDFW-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CC(=O)NC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCCC1 ZINC001421404501 926691349 /nfs/dbraw/zinc/69/13/49/926691349.db2.gz ZVUSADCSABBZER-AWEZNQCLSA-N 1 1 313.398 -1.019 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421412364 926692475 /nfs/dbraw/zinc/69/24/75/926692475.db2.gz NKZFZGWBOZKLDP-ABAIWWIYSA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421415122 926692728 /nfs/dbraw/zinc/69/27/28/926692728.db2.gz SOLOKALRDPEBFJ-WFASDCNBSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421415122 926692735 /nfs/dbraw/zinc/69/27/35/926692735.db2.gz SOLOKALRDPEBFJ-WFASDCNBSA-N 1 1 321.381 -1.596 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421412377 926692860 /nfs/dbraw/zinc/69/28/60/926692860.db2.gz NKZFZGWBOZKLDP-NHYWBVRUSA-N 1 1 323.397 -1.350 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)c1 ZINC001421419087 926695198 /nfs/dbraw/zinc/69/51/98/926695198.db2.gz YFNFCWCTJJZLEG-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)c1 ZINC001421419087 926695207 /nfs/dbraw/zinc/69/52/07/926695207.db2.gz YFNFCWCTJJZLEG-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001421419761 926696383 /nfs/dbraw/zinc/69/63/83/926696383.db2.gz ZRGXXPBVXZBQDB-ZANVPECISA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001421423588 926697239 /nfs/dbraw/zinc/69/72/39/926697239.db2.gz GIQSBBOKSGQSPJ-QWRGUYRKSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001421443411 926705313 /nfs/dbraw/zinc/70/53/13/926705313.db2.gz VFQVFJRJTKHCHS-GXSJLCMTSA-N 1 1 309.374 -1.177 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001421459652 926707864 /nfs/dbraw/zinc/70/78/64/926707864.db2.gz UOQUUZGULSXJRM-UHFFFAOYSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CCC3CCOCC3)C2)n1 ZINC001421466825 926710034 /nfs/dbraw/zinc/71/00/34/926710034.db2.gz UQDFREGJAPZIKU-UHFFFAOYSA-N 1 1 324.385 -1.197 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421486454 926714157 /nfs/dbraw/zinc/71/41/57/926714157.db2.gz TXSVIAIFBGHDDA-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421486453 926715880 /nfs/dbraw/zinc/71/58/80/926715880.db2.gz TXSVIAIFBGHDDA-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001421496616 926719824 /nfs/dbraw/zinc/71/98/24/926719824.db2.gz VCNWQYRORSJAAS-UHFFFAOYSA-N 1 1 311.386 -1.147 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001421562201 926724942 /nfs/dbraw/zinc/72/49/42/926724942.db2.gz NZRCZFVREOCXPC-XWLWVQCSSA-N 1 1 312.370 -1.005 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001421562544 926726895 /nfs/dbraw/zinc/72/68/95/926726895.db2.gz OXEQQIJVLDCEAW-PHIMTYICSA-N 1 1 306.370 -1.045 20 0 DAADMO COCC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001421576878 926727305 /nfs/dbraw/zinc/72/73/05/926727305.db2.gz WSVCPAMZRFHFEY-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001421563257 926727552 /nfs/dbraw/zinc/72/75/52/926727552.db2.gz PNLHIPWEFBCTOJ-TXEJJXNPSA-N 1 1 310.398 -1.009 20 0 DAADMO Cc1nc(CC(=O)NCCN2CCC([NH2+]CC(N)=O)CC2)n[nH]1 ZINC001421577508 926727758 /nfs/dbraw/zinc/72/77/58/926727758.db2.gz LBHPOZODMAFIGV-UHFFFAOYSA-N 1 1 323.401 -1.689 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001421572022 926727805 /nfs/dbraw/zinc/72/78/05/926727805.db2.gz BHKHNRKCOKMERO-WYUUTHIRSA-N 1 1 324.381 -1.004 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001421572444 926727818 /nfs/dbraw/zinc/72/78/18/926727818.db2.gz JYTUYHSAWKEQOD-GRYCIOLGSA-N 1 1 314.386 -1.558 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C1 ZINC001421577475 926727838 /nfs/dbraw/zinc/72/78/38/926727838.db2.gz YOPLWXLCMGUJKB-AXFHLTTASA-N 1 1 311.386 -1.431 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001421572733 926727870 /nfs/dbraw/zinc/72/78/70/926727870.db2.gz GBLCWHNCVLOOFB-TXEJJXNPSA-N 1 1 321.385 -1.411 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001421572051 926728034 /nfs/dbraw/zinc/72/80/34/926728034.db2.gz CCDONFMRWFLCCL-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001421572023 926728229 /nfs/dbraw/zinc/72/82/29/926728229.db2.gz BHKHNRKCOKMERO-YFKTTZPYSA-N 1 1 324.381 -1.004 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001421563373 926728288 /nfs/dbraw/zinc/72/82/88/926728288.db2.gz QZOIXTWVKOTDQF-TXEJJXNPSA-N 1 1 321.385 -1.458 20 0 DAADMO COCCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001421589991 926730849 /nfs/dbraw/zinc/73/08/49/926730849.db2.gz HPVPXDKFZCZLIQ-TZMCWYRMSA-N 1 1 304.387 -1.027 20 0 DAADMO CN(CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)C(=O)C1CC1 ZINC001421605780 926731157 /nfs/dbraw/zinc/73/11/57/926731157.db2.gz BXPGXKRQLAWCRI-HNNXBMFYSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@@H+](CCCF)C1)[C@H]1CNC(=O)N1 ZINC001421620051 926732405 /nfs/dbraw/zinc/73/24/05/926732405.db2.gz OKGMOCAFBFTLTN-ZWNOBZJWSA-N 1 1 302.350 -1.030 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421626039 926733443 /nfs/dbraw/zinc/73/34/43/926733443.db2.gz WEIVMOJTSYHJJN-BXUZGUMPSA-N 1 1 301.387 -1.177 20 0 DAADMO COc1cc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)nn1C ZINC001421615827 926733463 /nfs/dbraw/zinc/73/34/63/926733463.db2.gz XGSLDFXWGHSZDW-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ncn(C)n1)c1nncn1C ZINC001421633217 926736442 /nfs/dbraw/zinc/73/64/42/926736442.db2.gz DTRYTLVXWVAIKB-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001421638042 926736636 /nfs/dbraw/zinc/73/66/36/926736636.db2.gz RXDRHVNVSKCQRO-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ncn(C)n1)c1nncn1C ZINC001421633216 926737176 /nfs/dbraw/zinc/73/71/76/926737176.db2.gz DTRYTLVXWVAIKB-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001421631862 926737710 /nfs/dbraw/zinc/73/77/10/926737710.db2.gz BBXDCMGBRIAZHC-NWDGAFQWSA-N 1 1 319.427 -1.030 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C ZINC001421674079 926743455 /nfs/dbraw/zinc/74/34/55/926743455.db2.gz IYOCKWOHJHLXGG-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001421714806 926748361 /nfs/dbraw/zinc/74/83/61/926748361.db2.gz MSQONQOGTFIOPH-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1nnn(C)n1 ZINC001421722822 926749865 /nfs/dbraw/zinc/74/98/65/926749865.db2.gz ULPJOLBEWDFLPZ-MRVPVSSYSA-N 1 1 308.346 -1.195 20 0 DAADMO COC[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001421809318 926760096 /nfs/dbraw/zinc/76/00/96/926760096.db2.gz WLRCRGFOHLDEBS-QWRGUYRKSA-N 1 1 312.374 -1.190 20 0 DAADMO COC[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001421809308 926761183 /nfs/dbraw/zinc/76/11/83/926761183.db2.gz WLRCRGFOHLDEBS-GHMZBOCLSA-N 1 1 312.374 -1.190 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001421803581 926761543 /nfs/dbraw/zinc/76/15/43/926761543.db2.gz GEHFYENXENPYHW-QWRGUYRKSA-N 1 1 324.385 -1.356 20 0 DAADMO COC[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001421809323 926761788 /nfs/dbraw/zinc/76/17/88/926761788.db2.gz WLRCRGFOHLDEBS-WDEREUQCSA-N 1 1 312.374 -1.190 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC001421848232 926765893 /nfs/dbraw/zinc/76/58/93/926765893.db2.gz AELMYAXTYVUSPW-UHFFFAOYSA-N 1 1 306.388 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(CC(=O)NC)C2)C1 ZINC001421905388 926769389 /nfs/dbraw/zinc/76/93/89/926769389.db2.gz PAGHOQVLGPEXNW-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1CCOCC1=O ZINC001421903982 926769956 /nfs/dbraw/zinc/76/99/56/926769956.db2.gz PDYBOOCJADQKPW-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001421890480 926770774 /nfs/dbraw/zinc/77/07/74/926770774.db2.gz RQWOFZIRNBXIFJ-QMMMGPOBSA-N 1 1 316.387 -1.809 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001421912196 926772123 /nfs/dbraw/zinc/77/21/23/926772123.db2.gz NQTBMTPXAKXYJS-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC001421915735 926772404 /nfs/dbraw/zinc/77/24/04/926772404.db2.gz KNYPQYGCXIMIOK-NEPJUHHUSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)CC1(O)CCOCC1 ZINC001421915735 926772415 /nfs/dbraw/zinc/77/24/15/926772415.db2.gz KNYPQYGCXIMIOK-NEPJUHHUSA-N 1 1 302.371 -1.145 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001421919666 926773640 /nfs/dbraw/zinc/77/36/40/926773640.db2.gz SURVNOOBLKMGOW-WDEREUQCSA-N 1 1 314.386 -1.225 20 0 DAADMO C[C@@H]([NH2+]CC1(NC(=O)CCc2nc[nH]n2)CCOCC1)C(N)=O ZINC001421980635 926777545 /nfs/dbraw/zinc/77/75/45/926777545.db2.gz CFKUSVDWRGDEPP-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001421983785 926778012 /nfs/dbraw/zinc/77/80/12/926778012.db2.gz CXEWTRJVKWKESY-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001422034738 926782891 /nfs/dbraw/zinc/78/28/91/926782891.db2.gz SEQSXLPKSBAXFN-GXSJLCMTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422046401 926783635 /nfs/dbraw/zinc/78/36/35/926783635.db2.gz FPKBIJQKCCYABI-BIIVOSGPSA-N 1 1 311.367 -1.011 20 0 DAADMO C[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422046401 926783654 /nfs/dbraw/zinc/78/36/54/926783654.db2.gz FPKBIJQKCCYABI-BIIVOSGPSA-N 1 1 311.367 -1.011 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001422092553 926786512 /nfs/dbraw/zinc/78/65/12/926786512.db2.gz ISUVKQGEIJALHN-NSHDSACASA-N 1 1 324.385 -1.168 20 0 DAADMO CS(=O)(=O)CCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001422083212 926786795 /nfs/dbraw/zinc/78/67/95/926786795.db2.gz OUEOVIPTZZIWIF-UHFFFAOYSA-N 1 1 319.427 -1.758 20 0 DAADMO CC(C)[C@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnnn1C ZINC001422086174 926788150 /nfs/dbraw/zinc/78/81/50/926788150.db2.gz YOPHFESNAAZOTP-VIFPVBQESA-N 1 1 307.362 -1.117 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC001422114382 926789329 /nfs/dbraw/zinc/78/93/29/926789329.db2.gz AJXZEBHFBVGGSP-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001422123908 926789535 /nfs/dbraw/zinc/78/95/35/926789535.db2.gz FCQALOHVPRTDKV-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1ncc[nH]1 ZINC001422157088 926792385 /nfs/dbraw/zinc/79/23/85/926792385.db2.gz ZFGNSNUOMKWMCQ-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1ncc[nH]1 ZINC001422157088 926792400 /nfs/dbraw/zinc/79/24/00/926792400.db2.gz ZFGNSNUOMKWMCQ-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001422163915 926793113 /nfs/dbraw/zinc/79/31/13/926793113.db2.gz YFNGVXLYEJFDFV-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001422163915 926793123 /nfs/dbraw/zinc/79/31/23/926793123.db2.gz YFNGVXLYEJFDFV-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ccncn1 ZINC001422164149 926793180 /nfs/dbraw/zinc/79/31/80/926793180.db2.gz UURNSWQSDGLPKA-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ccncn1 ZINC001422164149 926793193 /nfs/dbraw/zinc/79/31/93/926793193.db2.gz UURNSWQSDGLPKA-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CCN1C[C@@H](C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)OC1=O ZINC001422164676 926793344 /nfs/dbraw/zinc/79/33/44/926793344.db2.gz YNQCKHVXWOZGLN-SECBINFHSA-N 1 1 319.383 -1.151 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C1=COCCO1 ZINC001422171779 926793485 /nfs/dbraw/zinc/79/34/85/926793485.db2.gz DECVJLPYSGDMMC-UHFFFAOYSA-N 1 1 300.315 -1.540 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1=COCCO1 ZINC001422171779 926793497 /nfs/dbraw/zinc/79/34/97/926793497.db2.gz DECVJLPYSGDMMC-UHFFFAOYSA-N 1 1 300.315 -1.540 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001422150459 926794607 /nfs/dbraw/zinc/79/46/07/926794607.db2.gz DAIBQZFLXLUUTP-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001422150459 926794614 /nfs/dbraw/zinc/79/46/14/926794614.db2.gz DAIBQZFLXLUUTP-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001422191472 926796551 /nfs/dbraw/zinc/79/65/51/926796551.db2.gz DWUOXMVJXUWZHO-UHFFFAOYSA-N 1 1 324.385 -1.643 20 0 DAADMO Cc1nonc1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422189972 926797092 /nfs/dbraw/zinc/79/70/92/926797092.db2.gz CTOPHFKCGRCZGF-SNVBAGLBSA-N 1 1 323.353 -1.177 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CO)(NC(=O)C(F)F)CC1 ZINC001422183196 926797267 /nfs/dbraw/zinc/79/72/67/926797267.db2.gz HKMHACGGZOUBCZ-ZETCQYMHSA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422181318 926797333 /nfs/dbraw/zinc/79/73/33/926797333.db2.gz GTPHZSIJABJZLL-BDAKNGLRSA-N 1 1 315.374 -1.529 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422181318 926797351 /nfs/dbraw/zinc/79/73/51/926797351.db2.gz GTPHZSIJABJZLL-BDAKNGLRSA-N 1 1 315.374 -1.529 20 0 DAADMO Cc1nonc1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422189947 926797587 /nfs/dbraw/zinc/79/75/87/926797587.db2.gz CTOPHFKCGRCZGF-JTQLQIEISA-N 1 1 323.353 -1.177 20 0 DAADMO O=C(Cn1ncnn1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422200700 926799634 /nfs/dbraw/zinc/79/96/34/926799634.db2.gz UMTJEMSESNVKIJ-SNVBAGLBSA-N 1 1 323.357 -2.495 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001422198150 926799776 /nfs/dbraw/zinc/79/97/76/926799776.db2.gz XDYVIPXQPWVNMQ-LLVKDONJSA-N 1 1 309.370 -1.300 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001422202934 926800427 /nfs/dbraw/zinc/80/04/27/926800427.db2.gz ZZRNULFQKDJCCL-UHFFFAOYSA-N 1 1 312.330 -1.676 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001422202934 926800435 /nfs/dbraw/zinc/80/04/35/926800435.db2.gz ZZRNULFQKDJCCL-UHFFFAOYSA-N 1 1 312.330 -1.676 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2COCCO2)CC1 ZINC001422196831 926800841 /nfs/dbraw/zinc/80/08/41/926800841.db2.gz NTEMWVHSOAWIGF-NSHDSACASA-N 1 1 315.370 -1.909 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CCNC(N)=O)[C@@H]1CCNC1=O ZINC001422250217 926802247 /nfs/dbraw/zinc/80/22/47/926802247.db2.gz FTFADWNQCLRQBM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001422257914 926802342 /nfs/dbraw/zinc/80/23/42/926802342.db2.gz ULJHYMXACXENJL-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001422257914 926802352 /nfs/dbraw/zinc/80/23/52/926802352.db2.gz ULJHYMXACXENJL-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CCn3cncn3)C2)n1 ZINC001422257957 926802457 /nfs/dbraw/zinc/80/24/57/926802457.db2.gz VFUQCCAIHTYSGF-UHFFFAOYSA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CCNC(N)=O)[C@@H]1CCNC1=O ZINC001422250212 926802518 /nfs/dbraw/zinc/80/25/18/926802518.db2.gz FTFADWNQCLRQBM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CCNC(N)=O)[C@H]1CCNC1=O ZINC001422250214 926804244 /nfs/dbraw/zinc/80/42/44/926804244.db2.gz FTFADWNQCLRQBM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422263538 926805724 /nfs/dbraw/zinc/80/57/24/926805724.db2.gz IQEFELBMTSXWHE-WDEREUQCSA-N 1 1 324.385 -1.296 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001422264233 926806446 /nfs/dbraw/zinc/80/64/46/926806446.db2.gz KACHQPOZJUKNLG-WDEREUQCSA-N 1 1 324.385 -1.548 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccncc1F ZINC001422278566 926809398 /nfs/dbraw/zinc/80/93/98/926809398.db2.gz UYXWUTKPHSBOOW-MRVPVSSYSA-N 1 1 309.305 -1.375 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)o1 ZINC001422281356 926813612 /nfs/dbraw/zinc/81/36/12/926813612.db2.gz MECUUIBSSHVWLE-LBPRGKRZSA-N 1 1 312.370 -1.118 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1CCC(O)CC1 ZINC001422291506 926814754 /nfs/dbraw/zinc/81/47/54/926814754.db2.gz CUHAGBOLFAUCFM-MCIGGMRASA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001422288706 926815826 /nfs/dbraw/zinc/81/58/26/926815826.db2.gz PWNWOGQDGAFGNC-VHSXEESVSA-N 1 1 311.342 -1.665 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)c1nncn1C ZINC001422292197 926816327 /nfs/dbraw/zinc/81/63/27/926816327.db2.gz QXJRDWMPPBWZFC-RKDXNWHRSA-N 1 1 319.387 -2.013 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001422287311 926816568 /nfs/dbraw/zinc/81/65/68/926816568.db2.gz MKCQFVNIAXQAHA-IUCAKERBSA-N 1 1 311.346 -2.697 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001422302666 926817745 /nfs/dbraw/zinc/81/77/45/926817745.db2.gz VFUAEYGWBICYQO-ONGXEEELSA-N 1 1 322.373 -1.077 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CC1OCCCO1 ZINC001422293192 926818906 /nfs/dbraw/zinc/81/89/06/926818906.db2.gz DMRYXQVJPKDPFX-JTQLQIEISA-N 1 1 313.358 -1.465 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccon1 ZINC001422298296 926819743 /nfs/dbraw/zinc/81/97/43/926819743.db2.gz YUTAWXONWWFMTN-SECBINFHSA-N 1 1 307.314 -1.124 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001422302661 926819972 /nfs/dbraw/zinc/81/99/72/926819972.db2.gz VFUAEYGWBICYQO-KOLCDFICSA-N 1 1 322.373 -1.077 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cc3n(n2)CCO3)nn1 ZINC001422314999 926824001 /nfs/dbraw/zinc/82/40/01/926824001.db2.gz MOXAKKBUQCZHOH-SNVBAGLBSA-N 1 1 321.341 -1.716 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422311218 926824278 /nfs/dbraw/zinc/82/42/78/926824278.db2.gz DDYXJQGBYZSAAU-BDAKNGLRSA-N 1 1 315.399 -1.158 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422311334 926824846 /nfs/dbraw/zinc/82/48/46/926824846.db2.gz LOTYUIZWOXZYDP-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001422311569 926825386 /nfs/dbraw/zinc/82/53/86/926825386.db2.gz IAJFFRYUWCQEAJ-VIFPVBQESA-N 1 1 321.341 -1.716 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001422311563 926826418 /nfs/dbraw/zinc/82/64/18/926826418.db2.gz IAJFFRYUWCQEAJ-SECBINFHSA-N 1 1 321.341 -1.716 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001422318588 926828961 /nfs/dbraw/zinc/82/89/61/926828961.db2.gz UYUXQOOKVYBJEG-WDEREUQCSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001422323954 926829158 /nfs/dbraw/zinc/82/91/58/926829158.db2.gz PQLUBGHARNKESE-VIFPVBQESA-N 1 1 320.357 -1.767 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001422328930 926831281 /nfs/dbraw/zinc/83/12/81/926831281.db2.gz XFBDHTOGDOYDDY-NXEZZACHSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001422329132 926832659 /nfs/dbraw/zinc/83/26/59/926832659.db2.gz XRHFVTSSEPFETJ-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001422333747 926833418 /nfs/dbraw/zinc/83/34/18/926833418.db2.gz VSTYFVUWAXXSDF-DTWKUNHWSA-N 1 1 309.370 -1.287 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)[nH]1 ZINC001422335330 926833860 /nfs/dbraw/zinc/83/38/60/926833860.db2.gz BJRLFWCIICZGTG-QWRGUYRKSA-N 1 1 324.385 -1.452 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1=O ZINC001422337416 926837747 /nfs/dbraw/zinc/83/77/47/926837747.db2.gz WHAAXUOXKBYMDE-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)[NH2+]Cc1cnon1 ZINC001422336127 926837917 /nfs/dbraw/zinc/83/79/17/926837917.db2.gz ANRPIJWXBGNSST-RKDXNWHRSA-N 1 1 319.387 -1.008 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nc1 ZINC001422342084 926838287 /nfs/dbraw/zinc/83/82/87/926838287.db2.gz JAESQULOPAABSR-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc[nH]c2=O)nn1 ZINC001422337247 926838886 /nfs/dbraw/zinc/83/88/86/926838886.db2.gz WCISLYCOGFTTKG-SNVBAGLBSA-N 1 1 321.341 -1.326 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cc2n(n1)CCCO2 ZINC001422345853 926842829 /nfs/dbraw/zinc/84/28/29/926842829.db2.gz LMFZIJHWQKWLSF-JTQLQIEISA-N 1 1 322.325 -1.071 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)nn1 ZINC001422351835 926845092 /nfs/dbraw/zinc/84/50/92/926845092.db2.gz PYENCJQLHJWSIM-GFCCVEGCSA-N 1 1 320.353 -1.606 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C)S(C)(=O)=O ZINC001422358249 926847949 /nfs/dbraw/zinc/84/79/49/926847949.db2.gz YBQOVKDABFVVOP-NXEZZACHSA-N 1 1 318.399 -1.580 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001422359761 926849284 /nfs/dbraw/zinc/84/92/84/926849284.db2.gz XWTLWFVDLXAJQU-VIFPVBQESA-N 1 1 323.357 -1.382 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001422359813 926849785 /nfs/dbraw/zinc/84/97/85/926849785.db2.gz XXKFSLMSMWHVGV-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001422366551 926850874 /nfs/dbraw/zinc/85/08/74/926850874.db2.gz DCYRGNKQAGFKDW-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001422366551 926850883 /nfs/dbraw/zinc/85/08/83/926850883.db2.gz DCYRGNKQAGFKDW-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nn1 ZINC001422368362 926851586 /nfs/dbraw/zinc/85/15/86/926851586.db2.gz HHYMXVXKCNMKQH-CMPLNLGQSA-N 1 1 324.385 -1.467 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001422366547 926852528 /nfs/dbraw/zinc/85/25/28/926852528.db2.gz DCYRGNKQAGFKDW-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001422366547 926852540 /nfs/dbraw/zinc/85/25/40/926852540.db2.gz DCYRGNKQAGFKDW-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)nn1 ZINC001422371789 926853456 /nfs/dbraw/zinc/85/34/56/926853456.db2.gz MKTFFLLERLAFGT-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001422374854 926854346 /nfs/dbraw/zinc/85/43/46/926854346.db2.gz QSIGIMMIVPMUMK-WDEREUQCSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001422374854 926854359 /nfs/dbraw/zinc/85/43/59/926854359.db2.gz QSIGIMMIVPMUMK-WDEREUQCSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001422374851 926856608 /nfs/dbraw/zinc/85/66/08/926856608.db2.gz QSIGIMMIVPMUMK-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001422374851 926856618 /nfs/dbraw/zinc/85/66/18/926856618.db2.gz QSIGIMMIVPMUMK-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncn[nH]1 ZINC001422386215 926859399 /nfs/dbraw/zinc/85/93/99/926859399.db2.gz SSYVPVHXVWXTCE-WDEREUQCSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1nc[nH]n1 ZINC001422386215 926859413 /nfs/dbraw/zinc/85/94/13/926859413.db2.gz SSYVPVHXVWXTCE-WDEREUQCSA-N 1 1 322.369 -1.362 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001422402257 926862595 /nfs/dbraw/zinc/86/25/95/926862595.db2.gz DEFLTOWMDSPKIE-WCBMZHEXSA-N 1 1 320.357 -1.250 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001422399839 926862734 /nfs/dbraw/zinc/86/27/34/926862734.db2.gz BZRRTJZCZVWDNW-WDEREUQCSA-N 1 1 323.353 -1.355 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C)c1nncn1C ZINC001422397078 926863397 /nfs/dbraw/zinc/86/33/97/926863397.db2.gz KCBCXWYTKDDQQT-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ccccc2=O)n1 ZINC001422406617 926865145 /nfs/dbraw/zinc/86/51/45/926865145.db2.gz JUOVXLYYHMILRF-GFCCVEGCSA-N 1 1 320.353 -1.756 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1)c1nncn1C ZINC001422403448 926865491 /nfs/dbraw/zinc/86/54/91/926865491.db2.gz KJBXWZYGFASBQL-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001422406127 926867147 /nfs/dbraw/zinc/86/71/47/926867147.db2.gz XDAAOCBUPQOCMG-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1 ZINC001422404966 926867593 /nfs/dbraw/zinc/86/75/93/926867593.db2.gz NKGQPRZOODDBEE-JTQLQIEISA-N 1 1 315.374 -2.396 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001422403386 926868095 /nfs/dbraw/zinc/86/80/95/926868095.db2.gz TWMCWCNXONHXQG-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001422410546 926869120 /nfs/dbraw/zinc/86/91/20/926869120.db2.gz NYPXSLZXKZINCW-NSHDSACASA-N 1 1 322.373 -1.283 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2ccon2)C1 ZINC001422419851 926869167 /nfs/dbraw/zinc/86/91/67/926869167.db2.gz ZGPKHLLQKHALDR-CHWSQXEVSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2ccon2)C1 ZINC001422419851 926869179 /nfs/dbraw/zinc/86/91/79/926869179.db2.gz ZGPKHLLQKHALDR-CHWSQXEVSA-N 1 1 312.370 -1.038 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ncnn1C ZINC001422436184 926873906 /nfs/dbraw/zinc/87/39/06/926873906.db2.gz NJPGJZNPGNLSJV-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001422427724 926874071 /nfs/dbraw/zinc/87/40/71/926874071.db2.gz ICPNSZHKMRBIPF-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H](C)NC(N)=O ZINC001422448879 926874444 /nfs/dbraw/zinc/87/44/44/926874444.db2.gz QQBXPUOBNICPRX-IUCAKERBSA-N 1 1 312.378 -1.234 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CN1CCOCC1 ZINC001422482412 926876824 /nfs/dbraw/zinc/87/68/24/926876824.db2.gz OXCZHMOORZNQLT-LLVKDONJSA-N 1 1 323.401 -1.066 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N1CCCC1 ZINC001422477852 926876907 /nfs/dbraw/zinc/87/69/07/926876907.db2.gz KSMPCNVZUIPZEC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC001422477852 926876915 /nfs/dbraw/zinc/87/69/15/926876915.db2.gz KSMPCNVZUIPZEC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001422490541 926879939 /nfs/dbraw/zinc/87/99/39/926879939.db2.gz OHUCMWPKNBSWBQ-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520574 926880079 /nfs/dbraw/zinc/88/00/79/926880079.db2.gz OEDSDGANTAHSBL-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520574 926880095 /nfs/dbraw/zinc/88/00/95/926880095.db2.gz OEDSDGANTAHSBL-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)Cn1cc(C2CC2)nn1 ZINC001422508317 926880376 /nfs/dbraw/zinc/88/03/76/926880376.db2.gz CHYJKNBGSXSEFP-SECBINFHSA-N 1 1 319.373 -1.027 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422497197 926880627 /nfs/dbraw/zinc/88/06/27/926880627.db2.gz ZAAOQEYIBYJUAD-IUCAKERBSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422497201 926881133 /nfs/dbraw/zinc/88/11/33/926881133.db2.gz ZAAOQEYIBYJUAD-RKDXNWHRSA-N 1 1 315.374 -1.515 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)CC(=O)N(C)C ZINC001422519794 926881411 /nfs/dbraw/zinc/88/14/11/926881411.db2.gz DDXZFWMMKQVMLN-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)CC(=O)N(C)C ZINC001422519794 926881429 /nfs/dbraw/zinc/88/14/29/926881429.db2.gz DDXZFWMMKQVMLN-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422522465 926881503 /nfs/dbraw/zinc/88/15/03/926881503.db2.gz NWTZQLICUMSLHP-SNVBAGLBSA-N 1 1 321.381 -1.095 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422522465 926881516 /nfs/dbraw/zinc/88/15/16/926881516.db2.gz NWTZQLICUMSLHP-SNVBAGLBSA-N 1 1 321.381 -1.095 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@H+](C)[C@H](C)C(N)=O ZINC001422533669 926883514 /nfs/dbraw/zinc/88/35/14/926883514.db2.gz YXZXQFCQGDEDMS-GHMZBOCLSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@@H+](C)[C@H](C)C(N)=O ZINC001422533669 926883525 /nfs/dbraw/zinc/88/35/25/926883525.db2.gz YXZXQFCQGDEDMS-GHMZBOCLSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001422524459 926884266 /nfs/dbraw/zinc/88/42/66/926884266.db2.gz XWGLJHIQIHNNTJ-MRVPVSSYSA-N 1 1 322.329 -2.233 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001422549372 926884766 /nfs/dbraw/zinc/88/47/66/926884766.db2.gz VKCYNGLPYLIRLD-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001422549372 926884776 /nfs/dbraw/zinc/88/47/76/926884776.db2.gz VKCYNGLPYLIRLD-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001422597310 926886448 /nfs/dbraw/zinc/88/64/48/926886448.db2.gz FJFUDIGJYGMKFA-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001422556533 926886527 /nfs/dbraw/zinc/88/65/27/926886527.db2.gz CEXBTBNIRVLENT-ZJUUUORDSA-N 1 1 323.357 -1.687 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001422578384 926887107 /nfs/dbraw/zinc/88/71/07/926887107.db2.gz PEEUTVRCCRQRNQ-JTQLQIEISA-N 1 1 312.370 -1.220 20 0 DAADMO C[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@H+](C)CC(N)=O ZINC001422593175 926887657 /nfs/dbraw/zinc/88/76/57/926887657.db2.gz ZDQOLDQPXTYDNT-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CC(N)=O ZINC001422593175 926887674 /nfs/dbraw/zinc/88/76/74/926887674.db2.gz ZDQOLDQPXTYDNT-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001422568117 926888367 /nfs/dbraw/zinc/88/83/67/926888367.db2.gz GRJKDNYTHKVMJL-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001422568117 926888383 /nfs/dbraw/zinc/88/83/83/926888383.db2.gz GRJKDNYTHKVMJL-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[N@H+](C)CC(N)=O ZINC001422596433 926888914 /nfs/dbraw/zinc/88/89/14/926888914.db2.gz BOTKDUCSUCGIRR-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)[N@@H+](C)CC(N)=O ZINC001422596433 926888924 /nfs/dbraw/zinc/88/89/24/926888924.db2.gz BOTKDUCSUCGIRR-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001422597316 926892721 /nfs/dbraw/zinc/89/27/21/926892721.db2.gz FJFUDIGJYGMKFA-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001422607534 926893459 /nfs/dbraw/zinc/89/34/59/926893459.db2.gz SMGPISYOUPEHMA-SSDOTTSWSA-N 1 1 305.360 -1.478 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001422615045 926893584 /nfs/dbraw/zinc/89/35/84/926893584.db2.gz AZGVDZVQOLGHQI-SECBINFHSA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422618196 926893782 /nfs/dbraw/zinc/89/37/82/926893782.db2.gz VNJHVPXENVPLTL-SSDOTTSWSA-N 1 1 308.298 -1.223 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001422619369 926893912 /nfs/dbraw/zinc/89/39/12/926893912.db2.gz ANPBSMMAWCVHIJ-UHFFFAOYSA-N 1 1 310.358 -1.660 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001422607714 926895208 /nfs/dbraw/zinc/89/52/08/926895208.db2.gz IGEQXISQJFJVBK-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[N@@H+](CC(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1)C1CCC1 ZINC001422627558 926897558 /nfs/dbraw/zinc/89/75/58/926897558.db2.gz FUWCDOGGYYGSBP-ZDUSSCGKSA-N 1 1 324.425 -1.088 20 0 DAADMO CN1CCN(CC(=O)NC2(CCO)C[NH+](CC3CC3)C2)CC1=O ZINC001422628329 926898943 /nfs/dbraw/zinc/89/89/43/926898943.db2.gz GIPGCKFTOCKFGN-UHFFFAOYSA-N 1 1 324.425 -1.277 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001422641504 926900053 /nfs/dbraw/zinc/90/00/53/926900053.db2.gz WQKQKICVBJLVDY-DTWKUNHWSA-N 1 1 312.378 -1.316 20 0 DAADMO CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)CCn2cnnn2)C1 ZINC001422645851 926900147 /nfs/dbraw/zinc/90/01/47/926900147.db2.gz KXXBDSIZBLVPSQ-LLVKDONJSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001422640949 926900857 /nfs/dbraw/zinc/90/08/57/926900857.db2.gz FGLGHACCLAGKKF-SNVBAGLBSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001422640999 926901290 /nfs/dbraw/zinc/90/12/90/926901290.db2.gz YGZDZAKEOJZROK-UHFFFAOYSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN([C@@H]2CCCNC2=O)C1 ZINC001422648193 926902926 /nfs/dbraw/zinc/90/29/26/926902926.db2.gz LUCBAXVIQULKCZ-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001422650014 926904074 /nfs/dbraw/zinc/90/40/74/926904074.db2.gz RPLJYHCGWUCBFY-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422694628 926906273 /nfs/dbraw/zinc/90/62/73/926906273.db2.gz AOUIVTWHDBHEJE-CBAPKCEASA-N 1 1 307.358 -1.042 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001422665236 926906453 /nfs/dbraw/zinc/90/64/53/926906453.db2.gz AVWOGHHTKBROGD-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCn1ncn(C)c1=O ZINC001422682183 926906583 /nfs/dbraw/zinc/90/65/83/926906583.db2.gz JRWCLTGESWTZKE-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cnn[nH]1 ZINC001422668324 926906748 /nfs/dbraw/zinc/90/67/48/926906748.db2.gz JRSPXCORIRBSBW-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422696758 926907505 /nfs/dbraw/zinc/90/75/05/926907505.db2.gz MNHGLDQHPKVGGU-SFGNSQDASA-N 1 1 307.358 -1.276 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001422725577 926907923 /nfs/dbraw/zinc/90/79/23/926907923.db2.gz IFBDLEBKRJCRQH-LDYMZIIASA-N 1 1 306.370 -1.019 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC001422705035 926908804 /nfs/dbraw/zinc/90/88/04/926908804.db2.gz JAXLMALXQORZAU-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001422732616 926910408 /nfs/dbraw/zinc/91/04/08/926910408.db2.gz CVICUJUQZYNGLS-HKWYAPCNSA-N 1 1 324.381 -1.101 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001422739559 926910443 /nfs/dbraw/zinc/91/04/43/926910443.db2.gz OQVWBVOVRUVRLN-MWLCHTKSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001422734544 926911980 /nfs/dbraw/zinc/91/19/80/926911980.db2.gz DVWKUIZADJLPAK-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001422732607 926912556 /nfs/dbraw/zinc/91/25/56/926912556.db2.gz CVICUJUQZYNGLS-DKLQEMNFSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001422753832 926913894 /nfs/dbraw/zinc/91/38/94/926913894.db2.gz PYAZYGYBGIJEKM-MWLCHTKSSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001422744301 926913976 /nfs/dbraw/zinc/91/39/76/926913976.db2.gz GSLNHLQFDNWDPE-VHSXEESVSA-N 1 1 315.399 -1.013 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC001422747782 926914008 /nfs/dbraw/zinc/91/40/08/926914008.db2.gz SNWVCBBNHFRUNE-IUCAKERBSA-N 1 1 318.403 -1.480 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001422744299 926914651 /nfs/dbraw/zinc/91/46/51/926914651.db2.gz GSLNHLQFDNWDPE-UWVGGRQHSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](NC(=O)Cc1ncc[nH]1)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001422745021 926915330 /nfs/dbraw/zinc/91/53/30/926915330.db2.gz GZAKPPLSYXKZKF-RKDXNWHRSA-N 1 1 322.369 -1.028 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC001422781901 926916591 /nfs/dbraw/zinc/91/65/91/926916591.db2.gz WHOXBWFVSKNEOU-AWEZNQCLSA-N 1 1 314.386 -1.270 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001422781901 926916599 /nfs/dbraw/zinc/91/65/99/926916599.db2.gz WHOXBWFVSKNEOU-AWEZNQCLSA-N 1 1 314.386 -1.270 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001422807040 926917136 /nfs/dbraw/zinc/91/71/36/926917136.db2.gz OXRCEFGBORRBSY-NJMOYASZSA-N 1 1 311.382 -1.434 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)on1 ZINC001422812224 926918936 /nfs/dbraw/zinc/91/89/36/926918936.db2.gz SDECLFRXWKZZOT-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)on1 ZINC001422812224 926918948 /nfs/dbraw/zinc/91/89/48/926918948.db2.gz SDECLFRXWKZZOT-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001422811758 926919096 /nfs/dbraw/zinc/91/90/96/926919096.db2.gz RDEROIHPNRYABR-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001422810871 926919827 /nfs/dbraw/zinc/91/98/27/926919827.db2.gz HKQWDOLISHNPPD-OWUUHHOZSA-N 1 1 306.326 -1.488 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001422822488 926920539 /nfs/dbraw/zinc/92/05/39/926920539.db2.gz BKRNVDQKKCMPHK-OWUUHHOZSA-N 1 1 312.370 -1.364 20 0 DAADMO C[C@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001422841002 926921214 /nfs/dbraw/zinc/92/12/14/926921214.db2.gz BCTHHIDBUSGMRR-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@H](C[N@@H+](C)CCCF)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001422841002 926921222 /nfs/dbraw/zinc/92/12/22/926921222.db2.gz BCTHHIDBUSGMRR-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422852056 926921341 /nfs/dbraw/zinc/92/13/41/926921341.db2.gz WKQLKIIRBQEJRX-CNDDSTCGSA-N 1 1 319.427 -1.446 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001422840726 926923176 /nfs/dbraw/zinc/92/31/76/926923176.db2.gz AJAWOZGSBJKWRH-QMMMGPOBSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001422840726 926923182 /nfs/dbraw/zinc/92/31/82/926923182.db2.gz AJAWOZGSBJKWRH-QMMMGPOBSA-N 1 1 320.353 -1.134 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001422867272 926923962 /nfs/dbraw/zinc/92/39/62/926923962.db2.gz KVLIIQIWFIXFLR-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001422867272 926923969 /nfs/dbraw/zinc/92/39/69/926923969.db2.gz KVLIIQIWFIXFLR-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001422859102 926924981 /nfs/dbraw/zinc/92/49/81/926924981.db2.gz TWWXYWCOWTWJCU-LLVKDONJSA-N 1 1 324.385 -1.245 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)c1nnn(C)n1 ZINC001422862685 926925228 /nfs/dbraw/zinc/92/52/28/926925228.db2.gz BYMJZTXSZIYLRL-QWRGUYRKSA-N 1 1 322.373 -1.482 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422874460 926925500 /nfs/dbraw/zinc/92/55/00/926925500.db2.gz GBWIJQDOEPRVHT-AXFHLTTASA-N 1 1 311.386 -1.431 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)O ZINC001422855084 926925596 /nfs/dbraw/zinc/92/55/96/926925596.db2.gz JZQROLXXMVUXMZ-VHSXEESVSA-N 1 1 302.375 -1.944 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876194 926925668 /nfs/dbraw/zinc/92/56/68/926925668.db2.gz JLVOIOLRIQGSTO-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876194 926925682 /nfs/dbraw/zinc/92/56/82/926925682.db2.gz JLVOIOLRIQGSTO-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)c1nnn(C)n1 ZINC001422862676 926926053 /nfs/dbraw/zinc/92/60/53/926926053.db2.gz BYMJZTXSZIYLRL-GHMZBOCLSA-N 1 1 322.373 -1.482 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422855037 926926230 /nfs/dbraw/zinc/92/62/30/926926230.db2.gz JEESOPHFPWZUCZ-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422855037 926926243 /nfs/dbraw/zinc/92/62/43/926926243.db2.gz JEESOPHFPWZUCZ-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422868729 926926318 /nfs/dbraw/zinc/92/63/18/926926318.db2.gz ORTVTIOFXMDJMD-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC001422919344 926927946 /nfs/dbraw/zinc/92/79/46/926927946.db2.gz PLNFDCZEHGZLBU-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC001422919344 926927957 /nfs/dbraw/zinc/92/79/57/926927957.db2.gz PLNFDCZEHGZLBU-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@]23COCCN2C(=O)COC3)nn1 ZINC001422912748 926928564 /nfs/dbraw/zinc/92/85/64/926928564.db2.gz YBPFEVXHQYBLHY-CYBMUJFWSA-N 1 1 324.341 -2.519 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913849 926929166 /nfs/dbraw/zinc/92/91/66/926929166.db2.gz IPLOGDXJFRLHCH-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913849 926929180 /nfs/dbraw/zinc/92/91/80/926929180.db2.gz IPLOGDXJFRLHCH-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC001422902708 926929444 /nfs/dbraw/zinc/92/94/44/926929444.db2.gz SZJHMMVCVHRROH-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914994 926929584 /nfs/dbraw/zinc/92/95/84/926929584.db2.gz MBQGRAPVABZWIL-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914994 926929590 /nfs/dbraw/zinc/92/95/90/926929590.db2.gz MBQGRAPVABZWIL-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC001422917644 926929630 /nfs/dbraw/zinc/92/96/30/926929630.db2.gz MREGILQMPCCFEW-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001422927412 926930744 /nfs/dbraw/zinc/93/07/44/926930744.db2.gz QDRUXCBHIOLQJZ-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001422927412 926930762 /nfs/dbraw/zinc/93/07/62/926930762.db2.gz QDRUXCBHIOLQJZ-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001422931501 926930856 /nfs/dbraw/zinc/93/08/56/926930856.db2.gz YNPJASHRRUPZBS-VIFPVBQESA-N 1 1 312.374 -1.927 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001422931501 926930864 /nfs/dbraw/zinc/93/08/64/926930864.db2.gz YNPJASHRRUPZBS-VIFPVBQESA-N 1 1 312.374 -1.927 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001422974979 926933487 /nfs/dbraw/zinc/93/34/87/926933487.db2.gz OHXOPJFKYNIADA-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001422977641 926933695 /nfs/dbraw/zinc/93/36/95/926933695.db2.gz NUDHSKNANKVHCI-QWRGUYRKSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001423009929 926936092 /nfs/dbraw/zinc/93/60/92/926936092.db2.gz WOLGPYHVTGKUNR-WPRPVWTQSA-N 1 1 324.389 -1.359 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](NC(=O)Cn2ncnn2)C2CC2)[nH]1 ZINC001423010767 926936870 /nfs/dbraw/zinc/93/68/70/926936870.db2.gz YCWJQCIFUMITDL-JTQLQIEISA-N 1 1 305.346 -1.216 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001423016783 926937643 /nfs/dbraw/zinc/93/76/43/926937643.db2.gz WFPOZBRJTTZOOY-GHMZBOCLSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)Cc1nc[nH]n1)C1CC1 ZINC001423051581 926939946 /nfs/dbraw/zinc/93/99/46/926939946.db2.gz WKXHXSUDEQJZHD-VIFPVBQESA-N 1 1 305.346 -1.445 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001423061281 926942008 /nfs/dbraw/zinc/94/20/08/926942008.db2.gz JIBDNSFUNKEEQG-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001423061274 926942979 /nfs/dbraw/zinc/94/29/79/926942979.db2.gz JIBDNSFUNKEEQG-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001423062322 926943337 /nfs/dbraw/zinc/94/33/37/926943337.db2.gz PWDWKINTJBTRNO-JTQLQIEISA-N 1 1 309.374 -1.142 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001423094384 926947007 /nfs/dbraw/zinc/94/70/07/926947007.db2.gz RABRJNOLPYTQGZ-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)COC ZINC001423120959 926950179 /nfs/dbraw/zinc/95/01/79/926950179.db2.gz KSLBKCOENCJPIH-ZJUUUORDSA-N 1 1 308.404 -1.734 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001423140701 926951615 /nfs/dbraw/zinc/95/16/15/926951615.db2.gz SQUCIAMEIGTYPI-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1CC(=O)NC(=O)NC ZINC001423163519 926954331 /nfs/dbraw/zinc/95/43/31/926954331.db2.gz SKFQDOXNEJWZRU-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)F)C(=O)N(C)C ZINC001423179470 926954894 /nfs/dbraw/zinc/95/48/94/926954894.db2.gz PMSDLOMHSDGPDC-HTQZYQBOSA-N 1 1 324.328 -2.089 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423170671 926955394 /nfs/dbraw/zinc/95/53/94/926955394.db2.gz HXPSNQQJDQMWBB-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001423177488 926956236 /nfs/dbraw/zinc/95/62/36/926956236.db2.gz BKAWIUXISRTAEQ-ZJUUUORDSA-N 1 1 311.342 -1.483 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001423180016 926957961 /nfs/dbraw/zinc/95/79/61/926957961.db2.gz MINXJMRLTZJJPP-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)Cn1cccn1)Nc1ccon1 ZINC001423184032 926958971 /nfs/dbraw/zinc/95/89/71/926958971.db2.gz XDSBHJYQLSSLJX-JTQLQIEISA-N 1 1 322.325 -1.424 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001423190330 926959848 /nfs/dbraw/zinc/95/98/48/926959848.db2.gz YTJRSMBELNIXGT-SECBINFHSA-N 1 1 302.331 -3.342 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001423200148 926963526 /nfs/dbraw/zinc/96/35/26/926963526.db2.gz NFGVHEOXINOSSO-WCQYABFASA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1noc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001423199950 926963852 /nfs/dbraw/zinc/96/38/52/926963852.db2.gz ZAEDVZVHJLUBPH-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001423199950 926963862 /nfs/dbraw/zinc/96/38/62/926963862.db2.gz ZAEDVZVHJLUBPH-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC001423196418 926964105 /nfs/dbraw/zinc/96/41/05/926964105.db2.gz NTMSSXXPGOPVPR-CHWSQXEVSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001423196418 926964120 /nfs/dbraw/zinc/96/41/20/926964120.db2.gz NTMSSXXPGOPVPR-CHWSQXEVSA-N 1 1 323.397 -1.318 20 0 DAADMO CC(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001423200939 926964142 /nfs/dbraw/zinc/96/41/42/926964142.db2.gz NYTMFJHRSZWTKJ-WDEREUQCSA-N 1 1 316.402 -1.698 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423196171 926965567 /nfs/dbraw/zinc/96/55/67/926965567.db2.gz YQBOLGXEESRMOW-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C1=CCCC1)N1CCNC(=O)C1 ZINC001423209866 926970091 /nfs/dbraw/zinc/97/00/91/926970091.db2.gz DTFVMSPQJAQAJE-GFCCVEGCSA-N 1 1 324.381 -1.878 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001423211485 926972338 /nfs/dbraw/zinc/97/23/38/926972338.db2.gz FPBJTXANSXWBOW-CMPLNLGQSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001423213939 926974039 /nfs/dbraw/zinc/97/40/39/926974039.db2.gz IAZWIZQLYCXNQX-CMPLNLGQSA-N 1 1 310.354 -1.060 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001423219941 926978506 /nfs/dbraw/zinc/97/85/06/926978506.db2.gz YESNYDIUDLCNTM-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001423223926 926980607 /nfs/dbraw/zinc/98/06/07/926980607.db2.gz XFDNXZKMSWKFGY-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001423231029 926985314 /nfs/dbraw/zinc/98/53/14/926985314.db2.gz IFQWVFXWVCRTAO-SNVBAGLBSA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001423231527 926985603 /nfs/dbraw/zinc/98/56/03/926985603.db2.gz VHAQXXUKOHBBMR-MWLCHTKSSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1nncc1CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001423230174 926986164 /nfs/dbraw/zinc/98/61/64/926986164.db2.gz MJFDBVQZZWHBMV-DGCLKSJQSA-N 1 1 310.402 -1.134 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)n1cncn1 ZINC001423231903 926986976 /nfs/dbraw/zinc/98/69/76/926986976.db2.gz MVCINMHJCBGKIB-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001423231525 926987002 /nfs/dbraw/zinc/98/70/02/926987002.db2.gz VHAQXXUKOHBBMR-GXSJLCMTSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001423233060 926990124 /nfs/dbraw/zinc/99/01/24/926990124.db2.gz OLRUNDBDTNDKCT-NXEZZACHSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ncccc1O)NCC1CC1 ZINC001423233118 926990524 /nfs/dbraw/zinc/99/05/24/926990524.db2.gz OXZPYOMGSKKZET-LLVKDONJSA-N 1 1 322.365 -1.006 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCC(=O)NC2)n1 ZINC001423236207 926990841 /nfs/dbraw/zinc/99/08/41/926990841.db2.gz NSDPZXXPGCYADM-WCQYABFASA-N 1 1 323.397 -1.097 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001423238997 926993632 /nfs/dbraw/zinc/99/36/32/926993632.db2.gz XPGDIWOLTKAUMJ-ZDUSSCGKSA-N 1 1 312.370 -1.118 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1snnc1C ZINC001423246710 926994826 /nfs/dbraw/zinc/99/48/26/926994826.db2.gz YMIXWSBTXDMIAK-MRVPVSSYSA-N 1 1 316.387 -1.658 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423252446 926999160 /nfs/dbraw/zinc/99/91/60/926999160.db2.gz RUISAWJRDSHRLD-VIFPVBQESA-N 1 1 321.341 -1.500 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001423264009 927004811 /nfs/dbraw/zinc/00/48/11/927004811.db2.gz OOHKRMGOQDCECE-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423264424 927005260 /nfs/dbraw/zinc/00/52/60/927005260.db2.gz BCGCQGPALCMZMR-OLZOCXBDSA-N 1 1 311.386 -1.099 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)CCC[NH+](C)C)C1=O ZINC001423262104 927005459 /nfs/dbraw/zinc/00/54/59/927005459.db2.gz ZXHJNGGQGOMDSD-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001423264014 927006527 /nfs/dbraw/zinc/00/65/27/927006527.db2.gz OOHKRMGOQDCECE-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001423270791 927007722 /nfs/dbraw/zinc/00/77/22/927007722.db2.gz FLIDJWLRAFIUBR-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)NC1=O ZINC001423269433 927009306 /nfs/dbraw/zinc/00/93/06/927009306.db2.gz VPEKONZMWAPYJM-PSASIEDQSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273037 927010614 /nfs/dbraw/zinc/01/06/14/927010614.db2.gz YWDYFHZVDVAWRB-ZJUUUORDSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273037 927010632 /nfs/dbraw/zinc/01/06/32/927010632.db2.gz YWDYFHZVDVAWRB-ZJUUUORDSA-N 1 1 312.374 -1.581 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001423283112 927011587 /nfs/dbraw/zinc/01/15/87/927011587.db2.gz YFOFFLXFWJLJPJ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001423282172 927012214 /nfs/dbraw/zinc/01/22/14/927012214.db2.gz JTPFLOXHJOMFAB-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001423282172 927012229 /nfs/dbraw/zinc/01/22/29/927012229.db2.gz JTPFLOXHJOMFAB-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCCC1 ZINC001423280154 927012806 /nfs/dbraw/zinc/01/28/06/927012806.db2.gz VBWDWCGAQUQNDC-SECBINFHSA-N 1 1 321.399 -2.104 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001423283101 927013314 /nfs/dbraw/zinc/01/33/14/927013314.db2.gz YFOFFLXFWJLJPJ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001423277454 927013452 /nfs/dbraw/zinc/01/34/52/927013452.db2.gz PQXADNZZSXPAHT-RKDXNWHRSA-N 1 1 313.383 -1.227 20 0 DAADMO CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(=O)NC)[NH+](C)C ZINC001423297312 927017622 /nfs/dbraw/zinc/01/76/22/927017622.db2.gz OXUNBHYTKOYVPU-NXEZZACHSA-N 1 1 317.390 -2.151 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423301989 927021601 /nfs/dbraw/zinc/02/16/01/927021601.db2.gz UVBWPCZMBHIWBA-NWDGAFQWSA-N 1 1 310.398 -1.620 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CN2CCCC2)CC1 ZINC001423303189 927022391 /nfs/dbraw/zinc/02/23/91/927022391.db2.gz NMRJEPOTNHTZCE-UHFFFAOYSA-N 1 1 311.386 -1.224 20 0 DAADMO CCn1ncnc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423309027 927025060 /nfs/dbraw/zinc/02/50/60/927025060.db2.gz RRFVDWOJSVTGNH-RYUDHWBXSA-N 1 1 310.402 -1.184 20 0 DAADMO Cn1ncc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001423305990 927025851 /nfs/dbraw/zinc/02/58/51/927025851.db2.gz ZEPRJGHMBHJJAI-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1cnn(C)n1 ZINC001423306008 927025930 /nfs/dbraw/zinc/02/59/30/927025930.db2.gz SKSAYTVUJVWYDM-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001423311285 927026192 /nfs/dbraw/zinc/02/61/92/927026192.db2.gz XLXYHLQREOAZDE-STQMWFEESA-N 1 1 322.413 -1.072 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001423319131 927028519 /nfs/dbraw/zinc/02/85/19/927028519.db2.gz RBEMDNMNQGUDLT-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@H]1C ZINC001423331208 927031789 /nfs/dbraw/zinc/03/17/89/927031789.db2.gz ASMPIHUFORPJAI-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C[C@H]1C ZINC001423336499 927032217 /nfs/dbraw/zinc/03/22/17/927032217.db2.gz RGCGPJVAMNWWJE-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001423371273 927034990 /nfs/dbraw/zinc/03/49/90/927034990.db2.gz PUBLWIYNRWVKLV-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001423371538 927036378 /nfs/dbraw/zinc/03/63/78/927036378.db2.gz ITPPMHUEIOXUHH-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001423371538 927036389 /nfs/dbraw/zinc/03/63/89/927036389.db2.gz ITPPMHUEIOXUHH-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001423375287 927036532 /nfs/dbraw/zinc/03/65/32/927036532.db2.gz STXUVDMUKUTWOC-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001423402650 927038608 /nfs/dbraw/zinc/03/86/08/927038608.db2.gz JUDOLCRIAASAGG-JTQLQIEISA-N 1 1 322.431 -1.752 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCn1cccn1 ZINC001423418239 927041497 /nfs/dbraw/zinc/04/14/97/927041497.db2.gz NVMSADYIZXAUEY-LLVKDONJSA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCn1cccn1 ZINC001423418242 927041984 /nfs/dbraw/zinc/04/19/84/927041984.db2.gz NVMSADYIZXAUEY-NSHDSACASA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CCn1cncn1 ZINC001423415310 927042141 /nfs/dbraw/zinc/04/21/41/927042141.db2.gz HULDFJZQPUWQFA-LBPRGKRZSA-N 1 1 322.373 -1.594 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)n2cncn2)[nH]1 ZINC001423428989 927043830 /nfs/dbraw/zinc/04/38/30/927043830.db2.gz LQMUCFBVIURZOU-MWLCHTKSSA-N 1 1 322.373 -1.125 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)n2cncn2)[nH]1 ZINC001423428991 927045915 /nfs/dbraw/zinc/04/59/15/927045915.db2.gz LQMUCFBVIURZOU-ONGXEEELSA-N 1 1 322.373 -1.125 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O)nn1 ZINC001423427009 927046495 /nfs/dbraw/zinc/04/64/95/927046495.db2.gz GWXCTRAJVARRHG-LBPRGKRZSA-N 1 1 312.374 -1.657 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)[nH]1 ZINC001423434203 927047202 /nfs/dbraw/zinc/04/72/02/927047202.db2.gz DNCOQIXANPHRSS-RKDXNWHRSA-N 1 1 312.330 -1.870 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O)n1 ZINC001423431930 927047463 /nfs/dbraw/zinc/04/74/63/927047463.db2.gz QNZLBYFHYUXZPG-LBPRGKRZSA-N 1 1 312.374 -1.657 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001423433443 927048901 /nfs/dbraw/zinc/04/89/01/927048901.db2.gz SIAQMTIZSZSMRV-NSHDSACASA-N 1 1 324.385 -1.273 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423435223 927049988 /nfs/dbraw/zinc/04/99/88/927049988.db2.gz OTRPDAANZHVURY-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423441751 927052223 /nfs/dbraw/zinc/05/22/23/927052223.db2.gz NTHDZZHQXQGKQV-QMMMGPOBSA-N 1 1 314.350 -2.952 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423441747 927053395 /nfs/dbraw/zinc/05/33/95/927053395.db2.gz NTHDZZHQXQGKQV-MRVPVSSYSA-N 1 1 314.350 -2.952 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423448181 927054479 /nfs/dbraw/zinc/05/44/79/927054479.db2.gz YXUFBJAVZWILAN-GXSJLCMTSA-N 1 1 300.363 -1.864 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001423447731 927054922 /nfs/dbraw/zinc/05/49/22/927054922.db2.gz RZSUHHFDOSWAQC-GFCCVEGCSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn(C)nn1 ZINC001423443323 927056000 /nfs/dbraw/zinc/05/60/00/927056000.db2.gz OFXZOEARJNASLY-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1ccn(C)n1 ZINC001423443487 927056493 /nfs/dbraw/zinc/05/64/93/927056493.db2.gz LUZXBYJYHNIIHC-LBPRGKRZSA-N 1 1 321.385 -1.300 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1ccn(C)n1 ZINC001423443483 927057141 /nfs/dbraw/zinc/05/71/41/927057141.db2.gz LUZXBYJYHNIIHC-GFCCVEGCSA-N 1 1 321.385 -1.300 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cncnc1 ZINC001423452005 927058264 /nfs/dbraw/zinc/05/82/64/927058264.db2.gz XSWNTQYGVBIEDB-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1c[nH]c(=O)cn1 ZINC001423453812 927058919 /nfs/dbraw/zinc/05/89/19/927058919.db2.gz MRRFLVCLKGIBHC-JTQLQIEISA-N 1 1 321.341 -1.879 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1c[nH]c(=O)cn1 ZINC001423453817 927059538 /nfs/dbraw/zinc/05/95/38/927059538.db2.gz MRRFLVCLKGIBHC-SNVBAGLBSA-N 1 1 321.341 -1.879 20 0 DAADMO CCn1nccc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423450826 927060189 /nfs/dbraw/zinc/06/01/89/927060189.db2.gz WXVFYMZPBCMVCQ-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]1(F)CCOC1 ZINC001423459822 927062035 /nfs/dbraw/zinc/06/20/35/927062035.db2.gz VZNPLUSDVCNRRS-CABZTGNLSA-N 1 1 316.337 -1.752 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(=O)n2C)[nH]1 ZINC001423463460 927063662 /nfs/dbraw/zinc/06/36/62/927063662.db2.gz KAYXFJQGIWYJRI-VIFPVBQESA-N 1 1 323.357 -1.225 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@H]1CCNC1=O ZINC001423458316 927063986 /nfs/dbraw/zinc/06/39/86/927063986.db2.gz HXTWRDBIRGUEMX-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423462120 927064206 /nfs/dbraw/zinc/06/42/06/927064206.db2.gz KNAFLMOUCIJBOS-NEPJUHHUSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001423467878 927066222 /nfs/dbraw/zinc/06/62/22/927066222.db2.gz KIXURGSYKUFXBH-NSHDSACASA-N 1 1 309.374 -1.175 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1cnc[nH]1 ZINC001423473141 927066715 /nfs/dbraw/zinc/06/67/15/927066715.db2.gz WQPQPYZQNHPFBS-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)C ZINC001423470018 927067035 /nfs/dbraw/zinc/06/70/35/927067035.db2.gz SEAQBQRECGWCCI-JTQLQIEISA-N 1 1 312.374 -1.340 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)c1nnn(C)n1 ZINC001423466395 927067628 /nfs/dbraw/zinc/06/76/28/927067628.db2.gz UIPWIXIZMBSVIG-VIFPVBQESA-N 1 1 306.330 -1.777 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001423469589 927068180 /nfs/dbraw/zinc/06/81/80/927068180.db2.gz MHTKZGJXZKBXEM-VIFPVBQESA-N 1 1 310.362 -1.780 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001423489249 927073260 /nfs/dbraw/zinc/07/32/60/927073260.db2.gz JADGJXUNWNNXHK-VIFPVBQESA-N 1 1 304.347 -2.161 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001423489249 927073278 /nfs/dbraw/zinc/07/32/78/927073278.db2.gz JADGJXUNWNNXHK-VIFPVBQESA-N 1 1 304.347 -2.161 20 0 DAADMO CN(C[C@@H](O)CNCc1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423489766 927076086 /nfs/dbraw/zinc/07/60/86/927076086.db2.gz YHTPJOSAVPQGAP-AAEUAGOBSA-N 1 1 310.402 -1.324 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001423500311 927076842 /nfs/dbraw/zinc/07/68/42/927076842.db2.gz JHLOCDUVVRPJHV-GHMZBOCLSA-N 1 1 315.374 -1.813 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001423500997 927077302 /nfs/dbraw/zinc/07/73/02/927077302.db2.gz GCUDBXUEOBYWBQ-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001423500997 927077320 /nfs/dbraw/zinc/07/73/20/927077320.db2.gz GCUDBXUEOBYWBQ-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001423497181 927077355 /nfs/dbraw/zinc/07/73/55/927077355.db2.gz SKDWXAGLCHKFMX-ZJUUUORDSA-N 1 1 302.375 -1.023 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCCC1=O ZINC001423496340 927077993 /nfs/dbraw/zinc/07/79/93/927077993.db2.gz OIPGHBJCXXEBNQ-LBPRGKRZSA-N 1 1 301.387 -1.258 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1snnc1C ZINC001423496310 927078282 /nfs/dbraw/zinc/07/82/82/927078282.db2.gz NOTDXHHGRKVUQU-VIFPVBQESA-N 1 1 315.399 -1.043 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1snnc1C ZINC001423496310 927078297 /nfs/dbraw/zinc/07/82/97/927078297.db2.gz NOTDXHHGRKVUQU-VIFPVBQESA-N 1 1 315.399 -1.043 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC001423492865 927078580 /nfs/dbraw/zinc/07/85/80/927078580.db2.gz SMUVNDDIPISRRE-LBPRGKRZSA-N 1 1 307.416 -1.207 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC001423492865 927078598 /nfs/dbraw/zinc/07/85/98/927078598.db2.gz SMUVNDDIPISRRE-LBPRGKRZSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001423497279 927078737 /nfs/dbraw/zinc/07/87/37/927078737.db2.gz BMWPUINTNUCDOC-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cccn1 ZINC001423497963 927079316 /nfs/dbraw/zinc/07/93/16/927079316.db2.gz VFRKLJAIDZZCLU-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1ccnc1 ZINC001423492266 927079402 /nfs/dbraw/zinc/07/94/02/927079402.db2.gz SHYDYKKJPOCXGA-LBPRGKRZSA-N 1 1 307.358 -1.379 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001423500495 927080093 /nfs/dbraw/zinc/08/00/93/927080093.db2.gz AJWPLYTXMHKXEI-RISCZKNCSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001423500495 927080110 /nfs/dbraw/zinc/08/01/10/927080110.db2.gz AJWPLYTXMHKXEI-RISCZKNCSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@H](O)CNCc1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423489768 927080207 /nfs/dbraw/zinc/08/02/07/927080207.db2.gz YHTPJOSAVPQGAP-DGCLKSJQSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001423511531 927080526 /nfs/dbraw/zinc/08/05/26/927080526.db2.gz CQFVPQGIQBCPEI-BXUZGUMPSA-N 1 1 301.387 -1.354 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001423503960 927080584 /nfs/dbraw/zinc/08/05/84/927080584.db2.gz SFYCFHUXINKOPA-NXEZZACHSA-N 1 1 312.374 -1.556 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2n[nH]nc2c1 ZINC001423504825 927080855 /nfs/dbraw/zinc/08/08/55/927080855.db2.gz NLHRNHSDTRFFKV-SNVBAGLBSA-N 1 1 308.342 -1.290 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001423504880 927081900 /nfs/dbraw/zinc/08/19/00/927081900.db2.gz UPYLGKPCLNNDLV-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509236 927082068 /nfs/dbraw/zinc/08/20/68/927082068.db2.gz AAQYMAXKHJYGGC-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509236 927082082 /nfs/dbraw/zinc/08/20/82/927082082.db2.gz AAQYMAXKHJYGGC-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001423507160 927082129 /nfs/dbraw/zinc/08/21/29/927082129.db2.gz NHJLQRQFFDVIJV-NSHDSACASA-N 1 1 302.375 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001423507160 927082142 /nfs/dbraw/zinc/08/21/42/927082142.db2.gz NHJLQRQFFDVIJV-NSHDSACASA-N 1 1 302.375 -1.990 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)cn1 ZINC001423510515 927083017 /nfs/dbraw/zinc/08/30/17/927083017.db2.gz FTYJVKQHWNYOFG-LLVKDONJSA-N 1 1 311.386 -1.100 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001423511526 927083684 /nfs/dbraw/zinc/08/36/84/927083684.db2.gz FHWPKIWNUONIQC-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001423511526 927083693 /nfs/dbraw/zinc/08/36/93/927083693.db2.gz FHWPKIWNUONIQC-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001423503962 927084174 /nfs/dbraw/zinc/08/41/74/927084174.db2.gz SFYCFHUXINKOPA-UWVGGRQHSA-N 1 1 312.374 -1.556 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001423504878 927084304 /nfs/dbraw/zinc/08/43/04/927084304.db2.gz UPYLGKPCLNNDLV-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423521039 927085075 /nfs/dbraw/zinc/08/50/75/927085075.db2.gz YSWBYPZAMXCSMS-LBPRGKRZSA-N 1 1 316.402 -1.648 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423521039 927085087 /nfs/dbraw/zinc/08/50/87/927085087.db2.gz YSWBYPZAMXCSMS-LBPRGKRZSA-N 1 1 316.402 -1.648 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423527198 927085193 /nfs/dbraw/zinc/08/51/93/927085193.db2.gz UFHXRMKQPPLUIJ-BDAKNGLRSA-N 1 1 306.338 -1.320 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423527198 927085208 /nfs/dbraw/zinc/08/52/08/927085208.db2.gz UFHXRMKQPPLUIJ-BDAKNGLRSA-N 1 1 306.338 -1.320 20 0 DAADMO CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423522549 927085421 /nfs/dbraw/zinc/08/54/21/927085421.db2.gz DYFCMMABIZNQDE-CYBMUJFWSA-N 1 1 314.430 -1.175 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)co1 ZINC001423518115 927085954 /nfs/dbraw/zinc/08/59/54/927085954.db2.gz QHKTXUWPZXVAQY-IUCAKERBSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)co1 ZINC001423518115 927085972 /nfs/dbraw/zinc/08/59/72/927085972.db2.gz QHKTXUWPZXVAQY-IUCAKERBSA-N 1 1 314.342 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516959 927086294 /nfs/dbraw/zinc/08/62/94/927086294.db2.gz OAPJQQVOQRTPLB-ZJUUUORDSA-N 1 1 312.374 -1.388 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516959 927086308 /nfs/dbraw/zinc/08/63/08/927086308.db2.gz OAPJQQVOQRTPLB-ZJUUUORDSA-N 1 1 312.374 -1.388 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001423516779 927087332 /nfs/dbraw/zinc/08/73/32/927087332.db2.gz RLDBHZOEUDXZNJ-LLVKDONJSA-N 1 1 324.447 -1.504 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525937 927087599 /nfs/dbraw/zinc/08/75/99/927087599.db2.gz OJVNBGPPCZUGSI-RKDXNWHRSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525937 927087616 /nfs/dbraw/zinc/08/76/16/927087616.db2.gz OJVNBGPPCZUGSI-RKDXNWHRSA-N 1 1 313.358 -1.636 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423527212 927087643 /nfs/dbraw/zinc/08/76/43/927087643.db2.gz UFHXRMKQPPLUIJ-RKDXNWHRSA-N 1 1 306.338 -1.320 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423527212 927087662 /nfs/dbraw/zinc/08/76/62/927087662.db2.gz UFHXRMKQPPLUIJ-RKDXNWHRSA-N 1 1 306.338 -1.320 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423518598 927088670 /nfs/dbraw/zinc/08/86/70/927088670.db2.gz QXTXLFWMZLMFGC-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423518598 927088682 /nfs/dbraw/zinc/08/86/82/927088682.db2.gz QXTXLFWMZLMFGC-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)co1 ZINC001423518088 927088806 /nfs/dbraw/zinc/08/88/06/927088806.db2.gz QHKTXUWPZXVAQY-BDAKNGLRSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)co1 ZINC001423518088 927088820 /nfs/dbraw/zinc/08/88/20/927088820.db2.gz QHKTXUWPZXVAQY-BDAKNGLRSA-N 1 1 314.342 -1.078 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001423524517 927089197 /nfs/dbraw/zinc/08/91/97/927089197.db2.gz IUSNKORWDBZWIC-LLVKDONJSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001423524517 927089212 /nfs/dbraw/zinc/08/92/12/927089212.db2.gz IUSNKORWDBZWIC-LLVKDONJSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423515037 927089659 /nfs/dbraw/zinc/08/96/59/927089659.db2.gz OQHOJYXDFPRZAD-VHSXEESVSA-N 1 1 313.362 -2.312 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542445 927090754 /nfs/dbraw/zinc/09/07/54/927090754.db2.gz KAQRNMYAJOUUSJ-RYUDHWBXSA-N 1 1 311.386 -1.231 20 0 DAADMO CN(C)c1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)ccn1 ZINC001423537934 927092046 /nfs/dbraw/zinc/09/20/46/927092046.db2.gz LHJPUNCOKQATDF-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)ccn1 ZINC001423537934 927092061 /nfs/dbraw/zinc/09/20/61/927092061.db2.gz LHJPUNCOKQATDF-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545795 927093793 /nfs/dbraw/zinc/09/37/93/927093793.db2.gz IYAKEGUHAOCXIA-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545795 927093809 /nfs/dbraw/zinc/09/38/09/927093809.db2.gz IYAKEGUHAOCXIA-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001423541219 927093842 /nfs/dbraw/zinc/09/38/42/927093842.db2.gz HLJZEOONVOCNKQ-WDEREUQCSA-N 1 1 316.358 -1.250 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001423583616 927094996 /nfs/dbraw/zinc/09/49/96/927094996.db2.gz KYYQTZSAXZAVJV-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO COC[C@@H](C)C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001423565640 927095504 /nfs/dbraw/zinc/09/55/04/927095504.db2.gz SBRGIQPFTUEGMS-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO COC[C@@H](C)C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423565640 927095519 /nfs/dbraw/zinc/09/55/19/927095519.db2.gz SBRGIQPFTUEGMS-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423571266 927095842 /nfs/dbraw/zinc/09/58/42/927095842.db2.gz GTPYMKQJMGOUME-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423571266 927095861 /nfs/dbraw/zinc/09/58/61/927095861.db2.gz GTPYMKQJMGOUME-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423553105 927098358 /nfs/dbraw/zinc/09/83/58/927098358.db2.gz YKHKOGQSZUZEIY-NXEZZACHSA-N 1 1 315.374 -2.493 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423553105 927098370 /nfs/dbraw/zinc/09/83/70/927098370.db2.gz YKHKOGQSZUZEIY-NXEZZACHSA-N 1 1 315.374 -2.493 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001423618327 927100593 /nfs/dbraw/zinc/10/05/93/927100593.db2.gz CHQQGLYJZWJIQE-ZANVPECISA-N 1 1 324.389 -1.405 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001423628599 927101003 /nfs/dbraw/zinc/10/10/03/927101003.db2.gz UGINSUUVOWDTPP-UWVGGRQHSA-N 1 1 314.342 -1.952 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001423628599 927101015 /nfs/dbraw/zinc/10/10/15/927101015.db2.gz UGINSUUVOWDTPP-UWVGGRQHSA-N 1 1 314.342 -1.952 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001423640305 927101297 /nfs/dbraw/zinc/10/12/97/927101297.db2.gz FKZYJCBOULTWTI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C[C@H](C)O ZINC001423640587 927102159 /nfs/dbraw/zinc/10/21/59/927102159.db2.gz FWDHECWHQTYSTB-NSHDSACASA-N 1 1 314.386 -1.217 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001423688782 927104629 /nfs/dbraw/zinc/10/46/29/927104629.db2.gz WEBSYNRJOGGEPV-GXFFZTMASA-N 1 1 309.374 -1.235 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(C)CCC[N@H+](CC(N)=O)C2)c1=O ZINC001423696874 927104869 /nfs/dbraw/zinc/10/48/69/927104869.db2.gz QRTWJPMTUDXPMP-AWEZNQCLSA-N 1 1 324.385 -1.715 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(C)CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001423696874 927104872 /nfs/dbraw/zinc/10/48/72/927104872.db2.gz QRTWJPMTUDXPMP-AWEZNQCLSA-N 1 1 324.385 -1.715 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001423737766 927107473 /nfs/dbraw/zinc/10/74/73/927107473.db2.gz FSFSSPWGIBJLTL-CYBMUJFWSA-N 1 1 310.310 -1.359 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001423737766 927107482 /nfs/dbraw/zinc/10/74/82/927107482.db2.gz FSFSSPWGIBJLTL-CYBMUJFWSA-N 1 1 310.310 -1.359 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH]nn2)CCOCC1 ZINC001423713050 927107567 /nfs/dbraw/zinc/10/75/67/927107567.db2.gz MELDPMCJBULKCP-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)CCc2cnn[nH]2)CCOCC1 ZINC001423713050 927107571 /nfs/dbraw/zinc/10/75/71/927107571.db2.gz MELDPMCJBULKCP-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]n1 ZINC001423750222 927110255 /nfs/dbraw/zinc/11/02/55/927110255.db2.gz KYRZRVZHERLQRY-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]n1 ZINC001423750222 927110265 /nfs/dbraw/zinc/11/02/65/927110265.db2.gz KYRZRVZHERLQRY-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001423748224 927110286 /nfs/dbraw/zinc/11/02/86/927110286.db2.gz SHSBVJVTPGDGJR-SMDDNHRTSA-N 1 1 317.386 -1.927 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001423743597 927110408 /nfs/dbraw/zinc/11/04/08/927110408.db2.gz BEGGMHQRMBHVDE-NOZJJQNGSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001423743597 927110417 /nfs/dbraw/zinc/11/04/17/927110417.db2.gz BEGGMHQRMBHVDE-NOZJJQNGSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001423743607 927110669 /nfs/dbraw/zinc/11/06/69/927110669.db2.gz BEGGMHQRMBHVDE-ZANVPECISA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001423743607 927110677 /nfs/dbraw/zinc/11/06/77/927110677.db2.gz BEGGMHQRMBHVDE-ZANVPECISA-N 1 1 300.359 -1.207 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cnn1 ZINC001423752740 927111022 /nfs/dbraw/zinc/11/10/22/927111022.db2.gz CZHNLJKADOEVGC-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cnn1 ZINC001423752740 927111028 /nfs/dbraw/zinc/11/10/28/927111028.db2.gz CZHNLJKADOEVGC-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423746223 927111187 /nfs/dbraw/zinc/11/11/87/927111187.db2.gz WHBKKSUPXXEYRJ-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)COC)C1 ZINC001423748202 927111580 /nfs/dbraw/zinc/11/15/80/927111580.db2.gz SBFCKJJRNGDWTL-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)COC)C1 ZINC001423748202 927111597 /nfs/dbraw/zinc/11/15/97/927111597.db2.gz SBFCKJJRNGDWTL-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743741 927111940 /nfs/dbraw/zinc/11/19/40/927111940.db2.gz DKUVZZCQQJCLRA-CABZTGNLSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743741 927111946 /nfs/dbraw/zinc/11/19/46/927111946.db2.gz DKUVZZCQQJCLRA-CABZTGNLSA-N 1 1 313.383 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CCOCC2)C1 ZINC001423745449 927112306 /nfs/dbraw/zinc/11/23/06/927112306.db2.gz SQDQQEFXPGURHQ-UKRRQHHQSA-N 1 1 316.398 -1.027 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423752843 927112405 /nfs/dbraw/zinc/11/24/05/927112405.db2.gz ZJTSHFYAQKSHCV-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423752843 927112411 /nfs/dbraw/zinc/11/24/11/927112411.db2.gz ZJTSHFYAQKSHCV-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001423745934 927112707 /nfs/dbraw/zinc/11/27/07/927112707.db2.gz KSZSKKMXNNGGOV-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001423745934 927112716 /nfs/dbraw/zinc/11/27/16/927112716.db2.gz KSZSKKMXNNGGOV-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001423752591 927112793 /nfs/dbraw/zinc/11/27/93/927112793.db2.gz DTYBIANTPDZQMB-IINYFYTJSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001423752591 927112804 /nfs/dbraw/zinc/11/28/04/927112804.db2.gz DTYBIANTPDZQMB-IINYFYTJSA-N 1 1 312.370 -2.059 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423759924 927113592 /nfs/dbraw/zinc/11/35/92/927113592.db2.gz IVOYGEZPZHRAIQ-QMTHXVAHSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423759924 927113601 /nfs/dbraw/zinc/11/36/01/927113601.db2.gz IVOYGEZPZHRAIQ-QMTHXVAHSA-N 1 1 307.354 -1.227 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423756970 927114913 /nfs/dbraw/zinc/11/49/13/927114913.db2.gz JMVGUAUMQCLLBW-HZMBPMFUSA-N 1 1 322.369 -1.740 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001423758282 927115133 /nfs/dbraw/zinc/11/51/33/927115133.db2.gz HMFBRMUYFVCJNT-JHSHHRBUSA-N 1 1 300.750 -1.021 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001423754009 927115223 /nfs/dbraw/zinc/11/52/23/927115223.db2.gz XKDKHDRPIGRNSF-GXTWGEPZSA-N 1 1 317.386 -1.975 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001423757754 927115704 /nfs/dbraw/zinc/11/57/04/927115704.db2.gz KZSXVKBVBXANAH-YMTOWFKASA-N 1 1 323.353 -1.517 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423760242 927116018 /nfs/dbraw/zinc/11/60/18/927116018.db2.gz JPDHAQLFDZKLRY-LKFCYVNXSA-N 1 1 324.385 -1.657 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423764452 927119061 /nfs/dbraw/zinc/11/90/61/927119061.db2.gz YHJJHLFRGSYQAI-IINYFYTJSA-N 1 1 310.354 -1.177 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001423763551 927119362 /nfs/dbraw/zinc/11/93/62/927119362.db2.gz NHXIPNGWPNWJLT-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423764453 927119428 /nfs/dbraw/zinc/11/94/28/927119428.db2.gz ZLLNGALNFCQBQD-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423764453 927119438 /nfs/dbraw/zinc/11/94/38/927119438.db2.gz ZLLNGALNFCQBQD-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761967 927119497 /nfs/dbraw/zinc/11/94/97/927119497.db2.gz SURKSJSBJBNRTC-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761967 927119503 /nfs/dbraw/zinc/11/95/03/927119503.db2.gz SURKSJSBJBNRTC-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001423766619 927119638 /nfs/dbraw/zinc/11/96/38/927119638.db2.gz PXPBMPMOYOUXCV-CQDKDKBSSA-N 1 1 311.382 -1.336 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001423766619 927119643 /nfs/dbraw/zinc/11/96/43/927119643.db2.gz PXPBMPMOYOUXCV-CQDKDKBSSA-N 1 1 311.382 -1.336 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761985 927120069 /nfs/dbraw/zinc/12/00/69/927120069.db2.gz SURKSJSBJBNRTC-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761985 927120075 /nfs/dbraw/zinc/12/00/75/927120075.db2.gz SURKSJSBJBNRTC-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001423774868 927122068 /nfs/dbraw/zinc/12/20/68/927122068.db2.gz JQMPMTJIFQHKOM-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001423777076 927122558 /nfs/dbraw/zinc/12/25/58/927122558.db2.gz QJGVFRXNKOIQMK-DOMZBBRYSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773519 927123263 /nfs/dbraw/zinc/12/32/63/927123263.db2.gz HQGKZYMFMAUVSB-ABAIWWIYSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773519 927123266 /nfs/dbraw/zinc/12/32/66/927123266.db2.gz HQGKZYMFMAUVSB-ABAIWWIYSA-N 1 1 323.397 -1.048 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423771486 927123308 /nfs/dbraw/zinc/12/33/08/927123308.db2.gz UZDPNUBVNMDFHA-CYBMUJFWSA-N 1 1 315.374 -2.396 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423771486 927123312 /nfs/dbraw/zinc/12/33/12/927123312.db2.gz UZDPNUBVNMDFHA-CYBMUJFWSA-N 1 1 315.374 -2.396 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423774330 927123356 /nfs/dbraw/zinc/12/33/56/927123356.db2.gz YWBDDXMKCWZBNT-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001423778290 927123731 /nfs/dbraw/zinc/12/37/31/927123731.db2.gz UGMRNSQWGOFGJH-ABAIWWIYSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1ccn2nnnc2c1 ZINC001423774671 927124192 /nfs/dbraw/zinc/12/41/92/927124192.db2.gz DTISFRGFIQNFFH-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773541 927124236 /nfs/dbraw/zinc/12/42/36/927124236.db2.gz HQGKZYMFMAUVSB-XHDPSFHLSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773541 927124249 /nfs/dbraw/zinc/12/42/49/927124249.db2.gz HQGKZYMFMAUVSB-XHDPSFHLSA-N 1 1 323.397 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423778506 927124535 /nfs/dbraw/zinc/12/45/35/927124535.db2.gz RCNXMRKXKPBCCD-KYTKKLGHSA-N 1 1 323.393 -1.291 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423778506 927124556 /nfs/dbraw/zinc/12/45/56/927124556.db2.gz RCNXMRKXKPBCCD-KYTKKLGHSA-N 1 1 323.393 -1.291 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cc1 ZINC001423792680 927125346 /nfs/dbraw/zinc/12/53/46/927125346.db2.gz BLADDNHROVXRHO-HNNXBMFYSA-N 1 1 307.350 -1.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001423784803 927125706 /nfs/dbraw/zinc/12/57/06/927125706.db2.gz CVNQVZJDELYMTI-SMDDNHRTSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793000 927125986 /nfs/dbraw/zinc/12/59/86/927125986.db2.gz ODNPXJRWYUYHLZ-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793000 927125974 /nfs/dbraw/zinc/12/59/74/927125974.db2.gz ODNPXJRWYUYHLZ-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423784159 927126259 /nfs/dbraw/zinc/12/62/59/927126259.db2.gz ABZKKDQGNKXLCL-GXFFZTMASA-N 1 1 313.358 -2.011 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001423791258 927126458 /nfs/dbraw/zinc/12/64/58/927126458.db2.gz IKOFAQYXIOLYSG-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001423790142 927126866 /nfs/dbraw/zinc/12/68/66/927126866.db2.gz QYLOXRJDKFNONB-GXTWGEPZSA-N 1 1 310.354 -1.350 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001423787459 927128342 /nfs/dbraw/zinc/12/83/42/927128342.db2.gz ILTQKMALBZXRDK-HZMBPMFUSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnon1 ZINC001423797617 927130524 /nfs/dbraw/zinc/13/05/24/927130524.db2.gz VDXHJKBONFYHHP-ZWNOBZJWSA-N 1 1 309.326 -1.485 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001423798589 927131141 /nfs/dbraw/zinc/13/11/41/927131141.db2.gz PITUGOSIPRUZSV-HNNXBMFYSA-N 1 1 324.381 -1.339 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001423795479 927131928 /nfs/dbraw/zinc/13/19/28/927131928.db2.gz XSAGCNJMQCFGQE-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001423798380 927132264 /nfs/dbraw/zinc/13/22/64/927132264.db2.gz NTNKVTIZCKMRKD-OAHLLOKOSA-N 1 1 324.381 -1.109 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CC(=O)N3CCC3)C2)C1 ZINC001423800582 927133303 /nfs/dbraw/zinc/13/33/03/927133303.db2.gz LILJIQPJUSQOFH-XJKSGUPXSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CC(=O)N3CCC3)C2)C1 ZINC001423800578 927133509 /nfs/dbraw/zinc/13/35/09/927133509.db2.gz LILJIQPJUSQOFH-CZUORRHYSA-N 1 1 324.425 -1.277 20 0 DAADMO Cc1n[nH]c(C)c1CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423801922 927133671 /nfs/dbraw/zinc/13/36/71/927133671.db2.gz YPUNWGUKGRQWHH-HNNXBMFYSA-N 1 1 323.397 -1.003 20 0 DAADMO Cc1n[nH]c(C)c1CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423801922 927133688 /nfs/dbraw/zinc/13/36/88/927133688.db2.gz YPUNWGUKGRQWHH-HNNXBMFYSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001423801926 927135187 /nfs/dbraw/zinc/13/51/87/927135187.db2.gz UXHJJSLHWOTGSQ-OAHLLOKOSA-N 1 1 323.397 -1.396 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001423801926 927135195 /nfs/dbraw/zinc/13/51/95/927135195.db2.gz UXHJJSLHWOTGSQ-OAHLLOKOSA-N 1 1 323.397 -1.396 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423801343 927135241 /nfs/dbraw/zinc/13/52/41/927135241.db2.gz UPJDYHCIOXXFLP-SMDDNHRTSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001423801343 927135249 /nfs/dbraw/zinc/13/52/49/927135249.db2.gz UPJDYHCIOXXFLP-SMDDNHRTSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423801343 927135257 /nfs/dbraw/zinc/13/52/57/927135257.db2.gz UPJDYHCIOXXFLP-SMDDNHRTSA-N 1 1 309.370 -1.063 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]c1=O ZINC001423804201 927135310 /nfs/dbraw/zinc/13/53/10/927135310.db2.gz UTJSLQZRAAUINV-HZMBPMFUSA-N 1 1 323.353 -1.819 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423801340 927135975 /nfs/dbraw/zinc/13/59/75/927135975.db2.gz UPJDYHCIOXXFLP-RISCZKNCSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001423801340 927135983 /nfs/dbraw/zinc/13/59/83/927135983.db2.gz UPJDYHCIOXXFLP-RISCZKNCSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423801340 927135992 /nfs/dbraw/zinc/13/59/92/927135992.db2.gz UPJDYHCIOXXFLP-RISCZKNCSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1COCCO1 ZINC001423807004 927138631 /nfs/dbraw/zinc/13/86/31/927138631.db2.gz COVAIBQMQNAWOM-OLZOCXBDSA-N 1 1 314.382 -1.009 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423832500 927148611 /nfs/dbraw/zinc/14/86/11/927148611.db2.gz XKDVODGZDJTBEA-LLVKDONJSA-N 1 1 314.386 -2.432 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423832500 927148619 /nfs/dbraw/zinc/14/86/19/927148619.db2.gz XKDVODGZDJTBEA-LLVKDONJSA-N 1 1 314.386 -2.432 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CCC(=O)N1 ZINC001423832409 927149517 /nfs/dbraw/zinc/14/95/17/927149517.db2.gz YMEORANCSYETFQ-VXGBXAGGSA-N 1 1 311.382 -1.003 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(CC(N)=O)C1)CC(C)(C)C ZINC001423867881 927159412 /nfs/dbraw/zinc/15/94/12/927159412.db2.gz DPNDRMRQYUIMPD-UHFFFAOYSA-N 1 1 300.403 -1.388 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001423872243 927161198 /nfs/dbraw/zinc/16/11/98/927161198.db2.gz RPWGNGNAPJDCJK-TUAOUCFPSA-N 1 1 312.414 -1.247 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001423888846 927165726 /nfs/dbraw/zinc/16/57/26/927165726.db2.gz UNBXLFWWFOZXOC-SMDDNHRTSA-N 1 1 321.381 -1.063 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001423885328 927166336 /nfs/dbraw/zinc/16/63/36/927166336.db2.gz ONLDBBPTPMIXBD-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001423907693 927169267 /nfs/dbraw/zinc/16/92/67/927169267.db2.gz DCWHSOUSTHOUDU-GFCCVEGCSA-N 1 1 312.414 -1.232 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001423922824 927172940 /nfs/dbraw/zinc/17/29/40/927172940.db2.gz ZYYRUBHHDYUNHZ-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423960421 927176771 /nfs/dbraw/zinc/17/67/71/927176771.db2.gz COWRNKMUOFQENI-IUCAKERBSA-N 1 1 308.342 -1.098 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C1 ZINC001423985196 927178526 /nfs/dbraw/zinc/17/85/26/927178526.db2.gz WIVFVGJLNVLFKH-TUAOUCFPSA-N 1 1 320.411 -1.572 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001423988942 927179854 /nfs/dbraw/zinc/17/98/54/927179854.db2.gz KRDSBQUZNCOIDI-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001423998275 927180473 /nfs/dbraw/zinc/18/04/73/927180473.db2.gz ZRCRIDONDHIIGF-UHFFFAOYSA-N 1 1 309.374 -1.666 20 0 DAADMO CNC(=O)C[NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001423998275 927180481 /nfs/dbraw/zinc/18/04/81/927180481.db2.gz ZRCRIDONDHIIGF-UHFFFAOYSA-N 1 1 309.374 -1.666 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001424009475 927182344 /nfs/dbraw/zinc/18/23/44/927182344.db2.gz HKJQREAVPOLLHK-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001424009479 927182375 /nfs/dbraw/zinc/18/23/75/927182375.db2.gz HKJQREAVPOLLHK-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO Cn1cc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)ccc1=O ZINC001424013834 927182773 /nfs/dbraw/zinc/18/27/73/927182773.db2.gz KYXFTAQMAIACSN-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001424014971 927182833 /nfs/dbraw/zinc/18/28/33/927182833.db2.gz DVDLABZMIZANHD-HZMBPMFUSA-N 1 1 312.370 -1.062 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001424011861 927182999 /nfs/dbraw/zinc/18/29/99/927182999.db2.gz HERAUKZQEMHGKM-CQSZACIVSA-N 1 1 311.386 -1.065 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424025753 927184885 /nfs/dbraw/zinc/18/48/85/927184885.db2.gz WPLVGXDHMHNUBH-AWEZNQCLSA-N 1 1 317.386 -1.973 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001424038780 927185835 /nfs/dbraw/zinc/18/58/35/927185835.db2.gz FKRGLUIXVCEZIF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001424038780 927185843 /nfs/dbraw/zinc/18/58/43/927185843.db2.gz FKRGLUIXVCEZIF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cn1ncnn1)N[C@]1(CO)CCC[N@@H+](CCCF)C1 ZINC001424024103 927186109 /nfs/dbraw/zinc/18/61/09/927186109.db2.gz SGPUKWYAUVBHGX-GFCCVEGCSA-N 1 1 300.338 -1.024 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001424050398 927188021 /nfs/dbraw/zinc/18/80/21/927188021.db2.gz WRFJUOGDXOHDOH-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001424050398 927188033 /nfs/dbraw/zinc/18/80/33/927188033.db2.gz WRFJUOGDXOHDOH-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001424050398 927188045 /nfs/dbraw/zinc/18/80/45/927188045.db2.gz WRFJUOGDXOHDOH-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(CC(N)=O)C1 ZINC001424050394 927188552 /nfs/dbraw/zinc/18/85/52/927188552.db2.gz WQICSIIATIYHMR-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1c[nH]cc2ncnc1-2)C(N)=O ZINC001424045700 927188669 /nfs/dbraw/zinc/18/86/69/927188669.db2.gz GJWVCSLMRJDISZ-VIFPVBQESA-N 1 1 320.353 -1.144 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001424047077 927189315 /nfs/dbraw/zinc/18/93/15/927189315.db2.gz GFZYTIFOVTYIFQ-JTQLQIEISA-N 1 1 322.373 -1.353 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)Cn2ncnn2)CCC1 ZINC001424175857 927203054 /nfs/dbraw/zinc/20/30/54/927203054.db2.gz ISOGIWWYFMWFOK-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO C[C@@H](CC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1)NC(N)=O ZINC001424163082 927203413 /nfs/dbraw/zinc/20/34/13/927203413.db2.gz HOOUOAZATQYRAI-VIFPVBQESA-N 1 1 324.389 -1.215 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001424243121 927214237 /nfs/dbraw/zinc/21/42/37/927214237.db2.gz DYPRUTNCCUYKAW-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CC(=O)NCC(=O)N(C)CCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001424268199 927216094 /nfs/dbraw/zinc/21/60/94/927216094.db2.gz RMNOIBVLNSOTLW-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001424294638 927216918 /nfs/dbraw/zinc/21/69/18/927216918.db2.gz FBRPAPLBEZFOAT-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001424281457 927217567 /nfs/dbraw/zinc/21/75/67/927217567.db2.gz RSIFWZLENXETTF-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001424317804 927219547 /nfs/dbraw/zinc/21/95/47/927219547.db2.gz NFSSJAPVMLGPLT-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)CNC(N)=O ZINC001424312928 927219686 /nfs/dbraw/zinc/21/96/86/927219686.db2.gz AEYHMEPCLUSJRE-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001424313686 927220055 /nfs/dbraw/zinc/22/00/55/927220055.db2.gz RZLRRQAEYSBHDN-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001424416961 927232824 /nfs/dbraw/zinc/23/28/24/927232824.db2.gz SLQTYMZDKVUKNG-CYBMUJFWSA-N 1 1 310.358 -1.584 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001424478353 927237694 /nfs/dbraw/zinc/23/76/94/927237694.db2.gz YNGNYTANHQTTHK-ZJUUUORDSA-N 1 1 315.399 -1.172 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001424639896 927248423 /nfs/dbraw/zinc/24/84/23/927248423.db2.gz GBVCWNGBMNZQIJ-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(C)=O)CC1 ZINC001424630167 927248445 /nfs/dbraw/zinc/24/84/45/927248445.db2.gz FXKFHPULQLFYRM-VIFPVBQESA-N 1 1 300.359 -1.207 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001424654708 927250073 /nfs/dbraw/zinc/25/00/73/927250073.db2.gz SWURPDZTYIZBAI-UHFFFAOYSA-N 1 1 309.370 -1.428 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001424647544 927251515 /nfs/dbraw/zinc/25/15/15/927251515.db2.gz HCLODZNCEYOUCT-IUCAKERBSA-N 1 1 313.358 -2.515 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001424698373 927252545 /nfs/dbraw/zinc/25/25/45/927252545.db2.gz VQDWTMZWELEKGN-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001424710032 927252679 /nfs/dbraw/zinc/25/26/79/927252679.db2.gz IVIMRPCQMOFAPX-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001424710032 927252697 /nfs/dbraw/zinc/25/26/97/927252697.db2.gz IVIMRPCQMOFAPX-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC001424700962 927252720 /nfs/dbraw/zinc/25/27/20/927252720.db2.gz IPUAXIFPCKTHEA-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001424698360 927252794 /nfs/dbraw/zinc/25/27/94/927252794.db2.gz VQDWTMZWELEKGN-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCCO ZINC001424703872 927253826 /nfs/dbraw/zinc/25/38/26/927253826.db2.gz KZUKURNEYADHGX-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO COC[C@H](OC)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001424742985 927256168 /nfs/dbraw/zinc/25/61/68/927256168.db2.gz SZXZFSOGSGIBSR-ILDUYXDCSA-N 1 1 312.374 -1.144 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001424760170 927256439 /nfs/dbraw/zinc/25/64/39/927256439.db2.gz ZEEJVCUWBDJAHD-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001424760171 927257210 /nfs/dbraw/zinc/25/72/10/927257210.db2.gz ZEEJVCUWBDJAHD-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001424778791 927257924 /nfs/dbraw/zinc/25/79/24/927257924.db2.gz NENGVMFKFZALNL-DTWKUNHWSA-N 1 1 324.389 -1.080 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827106 927258306 /nfs/dbraw/zinc/25/83/06/927258306.db2.gz IZJKDQDJSMPGFB-RKDXNWHRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827106 927258314 /nfs/dbraw/zinc/25/83/14/927258314.db2.gz IZJKDQDJSMPGFB-RKDXNWHRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001424780843 927258958 /nfs/dbraw/zinc/25/89/58/927258958.db2.gz CKKFERYTCFLFHM-MNOVXSKESA-N 1 1 324.385 -1.174 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001424806635 927259041 /nfs/dbraw/zinc/25/90/41/927259041.db2.gz BKDHTVDMXLEPLM-BDAKNGLRSA-N 1 1 310.358 -1.109 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)[NH2+]Cc1cnon1 ZINC001424780846 927259645 /nfs/dbraw/zinc/25/96/45/927259645.db2.gz CKKFERYTCFLFHM-QWRGUYRKSA-N 1 1 324.385 -1.174 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(=O)NC ZINC001424920917 927261201 /nfs/dbraw/zinc/26/12/01/927261201.db2.gz JMOWCDPJYRYRBM-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(=O)NC ZINC001424920917 927261218 /nfs/dbraw/zinc/26/12/18/927261218.db2.gz JMOWCDPJYRYRBM-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424865385 927261286 /nfs/dbraw/zinc/26/12/86/927261286.db2.gz ZMABVTOWTKIGPB-DTWKUNHWSA-N 1 1 320.357 -1.400 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001424906072 927261385 /nfs/dbraw/zinc/26/13/85/927261385.db2.gz ZAODCUBWMXKSPR-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001424907646 927261428 /nfs/dbraw/zinc/26/14/28/927261428.db2.gz GVJOCRSOZIDRJV-SECBINFHSA-N 1 1 324.403 -1.672 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001424907646 927261439 /nfs/dbraw/zinc/26/14/39/927261439.db2.gz GVJOCRSOZIDRJV-SECBINFHSA-N 1 1 324.403 -1.672 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947886 927263328 /nfs/dbraw/zinc/26/33/28/927263328.db2.gz KQTYBRXTIDAGCL-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947886 927263336 /nfs/dbraw/zinc/26/33/36/927263336.db2.gz KQTYBRXTIDAGCL-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)NCC1CC1 ZINC001424945110 927264531 /nfs/dbraw/zinc/26/45/31/927264531.db2.gz XWGSSSPJXAXTNQ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001424945110 927264542 /nfs/dbraw/zinc/26/45/42/927264542.db2.gz XWGSSSPJXAXTNQ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947875 927265551 /nfs/dbraw/zinc/26/55/51/927265551.db2.gz KQTYBRXTIDAGCL-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947875 927265566 /nfs/dbraw/zinc/26/55/66/927265566.db2.gz KQTYBRXTIDAGCL-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001424924262 927265786 /nfs/dbraw/zinc/26/57/86/927265786.db2.gz ZBIVSQYLBRNGEM-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975324 927266434 /nfs/dbraw/zinc/26/64/34/927266434.db2.gz GVRNJVITEFTWGJ-MNOVXSKESA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975324 927266441 /nfs/dbraw/zinc/26/64/41/927266441.db2.gz GVRNJVITEFTWGJ-MNOVXSKESA-N 1 1 313.402 -2.011 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424974949 927266907 /nfs/dbraw/zinc/26/69/07/927266907.db2.gz CVAZXFZBVGXBFI-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424974949 927266923 /nfs/dbraw/zinc/26/69/23/927266923.db2.gz CVAZXFZBVGXBFI-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1ccnn1C ZINC001424969347 927267346 /nfs/dbraw/zinc/26/73/46/927267346.db2.gz KOZANAQKEFYDDA-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1ccnn1C ZINC001424969347 927267360 /nfs/dbraw/zinc/26/73/60/927267360.db2.gz KOZANAQKEFYDDA-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1CCNC1=O ZINC001424983823 927267447 /nfs/dbraw/zinc/26/74/47/927267447.db2.gz LFZQJWPMMFLMGJ-SNVBAGLBSA-N 1 1 310.362 -1.865 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001424973534 927268241 /nfs/dbraw/zinc/26/82/41/927268241.db2.gz QSRWCDWCKSDMBW-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001424973534 927268252 /nfs/dbraw/zinc/26/82/52/927268252.db2.gz QSRWCDWCKSDMBW-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001424970160 927268796 /nfs/dbraw/zinc/26/87/96/927268796.db2.gz DCMVMDQVBFVBBN-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002529 927269946 /nfs/dbraw/zinc/26/99/46/927269946.db2.gz RMUZDSBPHAZPML-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002529 927269962 /nfs/dbraw/zinc/26/99/62/927269962.db2.gz RMUZDSBPHAZPML-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002535 927270677 /nfs/dbraw/zinc/27/06/77/927270677.db2.gz RMUZDSBPHAZPML-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002535 927270688 /nfs/dbraw/zinc/27/06/88/927270688.db2.gz RMUZDSBPHAZPML-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001425018216 927270730 /nfs/dbraw/zinc/27/07/30/927270730.db2.gz IMXOIUFYVQEDAB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001425018216 927270740 /nfs/dbraw/zinc/27/07/40/927270740.db2.gz IMXOIUFYVQEDAB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCOC1 ZINC001425003339 927271701 /nfs/dbraw/zinc/27/17/01/927271701.db2.gz YGOAPGVOHBGZQC-QWRGUYRKSA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001425000950 927271844 /nfs/dbraw/zinc/27/18/44/927271844.db2.gz ICAOFGZHIULDHF-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001425000950 927271862 /nfs/dbraw/zinc/27/18/62/927271862.db2.gz ICAOFGZHIULDHF-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001425058331 927272894 /nfs/dbraw/zinc/27/28/94/927272894.db2.gz UYBPYZPRNAPKDG-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001425058331 927272905 /nfs/dbraw/zinc/27/29/05/927272905.db2.gz UYBPYZPRNAPKDG-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cnccc1=O ZINC001425045784 927273294 /nfs/dbraw/zinc/27/32/94/927273294.db2.gz YIWJSLQMAWLHSO-NSHDSACASA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cnccc1=O ZINC001425045784 927273305 /nfs/dbraw/zinc/27/33/05/927273305.db2.gz YIWJSLQMAWLHSO-NSHDSACASA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001425058330 927273572 /nfs/dbraw/zinc/27/35/72/927273572.db2.gz UYBPYZPRNAPKDG-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001425058330 927273590 /nfs/dbraw/zinc/27/35/90/927273590.db2.gz UYBPYZPRNAPKDG-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035710 927274096 /nfs/dbraw/zinc/27/40/96/927274096.db2.gz FHQLGYVUFHHMOP-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035710 927274109 /nfs/dbraw/zinc/27/41/09/927274109.db2.gz FHQLGYVUFHHMOP-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001425070707 927276572 /nfs/dbraw/zinc/27/65/72/927276572.db2.gz OPQRDFKVTUQGRN-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001425070707 927276581 /nfs/dbraw/zinc/27/65/81/927276581.db2.gz OPQRDFKVTUQGRN-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001425067346 927276758 /nfs/dbraw/zinc/27/67/58/927276758.db2.gz KJSVDLZODGVSPV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001425067346 927276770 /nfs/dbraw/zinc/27/67/70/927276770.db2.gz KJSVDLZODGVSPV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001425081399 927278005 /nfs/dbraw/zinc/27/80/05/927278005.db2.gz SSSWNARORIEFKC-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001425081399 927278017 /nfs/dbraw/zinc/27/80/17/927278017.db2.gz SSSWNARORIEFKC-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](CC[C@H]3CCOC3)C2)n1 ZINC001425106787 927282311 /nfs/dbraw/zinc/28/23/11/927282311.db2.gz YKYPEJAAVDNUAM-NSHDSACASA-N 1 1 324.385 -1.197 20 0 DAADMO O=C(CCn1cnnn1)NC1(CCO)C[NH+](CCCF)C1 ZINC001425118738 927283806 /nfs/dbraw/zinc/28/38/06/927283806.db2.gz HFYHYRSCCARPSE-UHFFFAOYSA-N 1 1 300.338 -1.024 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001425247196 927293396 /nfs/dbraw/zinc/29/33/96/927293396.db2.gz WJVSJXBMMAFAPP-MWLCHTKSSA-N 1 1 311.386 -1.371 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)Cc2cc[nH]n2)C1 ZINC001425226159 927294293 /nfs/dbraw/zinc/29/42/93/927294293.db2.gz CHJGZTKFQHXUEL-DTWKUNHWSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001425232911 927294522 /nfs/dbraw/zinc/29/45/22/927294522.db2.gz BVRBPAQZSGBCTN-VIFPVBQESA-N 1 1 321.385 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001425252747 927296400 /nfs/dbraw/zinc/29/64/00/927296400.db2.gz LHRGDVZVVIOLRE-MWLCHTKSSA-N 1 1 309.374 -1.236 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnccn1 ZINC001425268910 927298029 /nfs/dbraw/zinc/29/80/29/927298029.db2.gz FBTVJYWSGBWSDN-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001425287629 927303683 /nfs/dbraw/zinc/30/36/83/927303683.db2.gz YSGQPEINKOMYRO-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001425285961 927304056 /nfs/dbraw/zinc/30/40/56/927304056.db2.gz DOLJYLZZKHTSBR-ZDUSSCGKSA-N 1 1 300.359 -1.789 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001425285961 927304067 /nfs/dbraw/zinc/30/40/67/927304067.db2.gz DOLJYLZZKHTSBR-ZDUSSCGKSA-N 1 1 300.359 -1.789 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425296789 927306717 /nfs/dbraw/zinc/30/67/17/927306717.db2.gz JGIRDPSYNIVIEU-UWVGGRQHSA-N 1 1 316.358 -2.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001425296406 927306919 /nfs/dbraw/zinc/30/69/19/927306919.db2.gz AJAXDIRYXPJOLE-PWSUYJOCSA-N 1 1 309.370 -1.042 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001425299978 927306947 /nfs/dbraw/zinc/30/69/47/927306947.db2.gz IUDAXFIWGIYCLF-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001425299978 927306962 /nfs/dbraw/zinc/30/69/62/927306962.db2.gz IUDAXFIWGIYCLF-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC001425314739 927315290 /nfs/dbraw/zinc/31/52/90/927315290.db2.gz FWJYAKGNCQIAFQ-KKOKHZNYSA-N 1 1 324.381 -1.098 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001425313933 927315743 /nfs/dbraw/zinc/31/57/43/927315743.db2.gz FNRBLIAIAFHRNY-OWUUHHOZSA-N 1 1 321.337 -2.272 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001425321392 927316677 /nfs/dbraw/zinc/31/66/77/927316677.db2.gz NSPKZBTTZOVFFZ-OWUUHHOZSA-N 1 1 320.353 -1.477 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001425317102 927317388 /nfs/dbraw/zinc/31/73/88/927317388.db2.gz MDOQEYYNVRHYJK-FIQHERPVSA-N 1 1 310.398 -1.059 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001425316901 927317533 /nfs/dbraw/zinc/31/75/33/927317533.db2.gz LRKIUZXAVZERMC-OWUUHHOZSA-N 1 1 320.353 -1.179 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC001425319635 927317706 /nfs/dbraw/zinc/31/77/06/927317706.db2.gz QUUUJWJOKXJDLT-WFFHOREQSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321944 927317976 /nfs/dbraw/zinc/31/79/76/927317976.db2.gz AYEXEIUAJKHEFQ-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321944 927317990 /nfs/dbraw/zinc/31/79/90/927317990.db2.gz AYEXEIUAJKHEFQ-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001425325220 927318379 /nfs/dbraw/zinc/31/83/79/927318379.db2.gz XBENGRFOYUCBLP-AATLWQCWSA-N 1 1 320.353 -1.099 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001425327567 927318597 /nfs/dbraw/zinc/31/85/97/927318597.db2.gz ZDKVYYNQCNEYAM-OWUUHHOZSA-N 1 1 320.353 -1.477 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001425327214 927319020 /nfs/dbraw/zinc/31/90/20/927319020.db2.gz ORUHDCRZHLMOQK-CNDDSTCGSA-N 1 1 317.411 -1.539 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001425327214 927319032 /nfs/dbraw/zinc/31/90/32/927319032.db2.gz ORUHDCRZHLMOQK-CNDDSTCGSA-N 1 1 317.411 -1.539 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001425325981 927320023 /nfs/dbraw/zinc/32/00/23/927320023.db2.gz JQCLGKVBBZPOJV-DTWKUNHWSA-N 1 1 311.346 -2.489 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001425337554 927323767 /nfs/dbraw/zinc/32/37/67/927323767.db2.gz DRSQOJHGWICYQQ-RTCCRHLQSA-N 1 1 320.415 -2.331 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cncnc1 ZINC001425348049 927324971 /nfs/dbraw/zinc/32/49/71/927324971.db2.gz GDEBJJDIBMZBEV-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425349291 927326962 /nfs/dbraw/zinc/32/69/62/927326962.db2.gz BYUDZDZIQRILCE-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2ccon2)C1 ZINC001425349359 927328199 /nfs/dbraw/zinc/32/81/99/927328199.db2.gz HLFPKILSUHORMH-JQWIXIFHSA-N 1 1 310.354 -1.238 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425349312 927328601 /nfs/dbraw/zinc/32/86/01/927328601.db2.gz BYUDZDZIQRILCE-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425352616 927331060 /nfs/dbraw/zinc/33/10/60/927331060.db2.gz RTWGVTKGIXKJSB-QWRGUYRKSA-N 1 1 301.387 -1.308 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001425363107 927334041 /nfs/dbraw/zinc/33/40/41/927334041.db2.gz LNSDDCUIDMXABW-CHWFTXMASA-N 1 1 311.386 -1.397 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC001425366243 927336451 /nfs/dbraw/zinc/33/64/51/927336451.db2.gz KNCRPPQRJBUUDM-DGCLKSJQSA-N 1 1 303.403 -1.063 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cnnn1C ZINC001425365942 927337873 /nfs/dbraw/zinc/33/78/73/927337873.db2.gz UZSIJRSDULKKHR-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001425372769 927338693 /nfs/dbraw/zinc/33/86/93/927338693.db2.gz FDXLGPREYDWWKV-LLVKDONJSA-N 1 1 323.397 -1.142 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cncn4)[C@@H]3C2)C1=O ZINC001425380466 927342102 /nfs/dbraw/zinc/34/21/02/927342102.db2.gz OJUHYQBSWWXSMT-FVCCEPFGSA-N 1 1 318.381 -1.197 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425389519 927343080 /nfs/dbraw/zinc/34/30/80/927343080.db2.gz GSIUHWWGTVJCEK-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425389519 927343094 /nfs/dbraw/zinc/34/30/94/927343094.db2.gz GSIUHWWGTVJCEK-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001425388587 927343475 /nfs/dbraw/zinc/34/34/75/927343475.db2.gz DCFDNUVAIDCVQA-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001425388589 927344112 /nfs/dbraw/zinc/34/41/12/927344112.db2.gz DCFDNUVAIDCVQA-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425389511 927344229 /nfs/dbraw/zinc/34/42/29/927344229.db2.gz GSIUHWWGTVJCEK-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425389511 927344242 /nfs/dbraw/zinc/34/42/42/927344242.db2.gz GSIUHWWGTVJCEK-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)COC)C1 ZINC001425399776 927348778 /nfs/dbraw/zinc/34/87/78/927348778.db2.gz FKRSIJYLROMNLT-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)COC)C1 ZINC001425399776 927348791 /nfs/dbraw/zinc/34/87/91/927348791.db2.gz FKRSIJYLROMNLT-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn1cncn1)C1CCC1 ZINC001425405240 927350983 /nfs/dbraw/zinc/35/09/83/927350983.db2.gz PAWLPDXHWSMOKU-LLVKDONJSA-N 1 1 324.385 -1.644 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001425431784 927358941 /nfs/dbraw/zinc/35/89/41/927358941.db2.gz OUTPTAGGDYKXSX-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001425441073 927360552 /nfs/dbraw/zinc/36/05/52/927360552.db2.gz DUEPWIIJWDEFFN-NSHDSACASA-N 1 1 306.326 -1.178 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425442350 927361181 /nfs/dbraw/zinc/36/11/81/927361181.db2.gz LEUQOAVUSOBHBK-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425442778 927361806 /nfs/dbraw/zinc/36/18/06/927361806.db2.gz LTWKJCUYCDIECN-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001425446982 927362938 /nfs/dbraw/zinc/36/29/38/927362938.db2.gz YTZFBAHMQLOPLU-GFCCVEGCSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001425447006 927363051 /nfs/dbraw/zinc/36/30/51/927363051.db2.gz ZMFAHLIGFCKNCY-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425453439 927365945 /nfs/dbraw/zinc/36/59/45/927365945.db2.gz AWYPIGKLDFOGJF-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ncn(C)n1 ZINC001425455369 927366587 /nfs/dbraw/zinc/36/65/87/927366587.db2.gz YDOXBGWCUCHCKS-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cn1nccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425466197 927370097 /nfs/dbraw/zinc/37/00/97/927370097.db2.gz VUTGCXGZWOQVGE-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1)C1CCC1 ZINC001425463736 927370379 /nfs/dbraw/zinc/37/03/79/927370379.db2.gz CGQHWPKIWCXMAO-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001425463736 927370394 /nfs/dbraw/zinc/37/03/94/927370394.db2.gz CGQHWPKIWCXMAO-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001425463736 927370406 /nfs/dbraw/zinc/37/04/06/927370406.db2.gz CGQHWPKIWCXMAO-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001425463736 927370419 /nfs/dbraw/zinc/37/04/19/927370419.db2.gz CGQHWPKIWCXMAO-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001425463736 927370435 /nfs/dbraw/zinc/37/04/35/927370435.db2.gz CGQHWPKIWCXMAO-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425476208 927372398 /nfs/dbraw/zinc/37/23/98/927372398.db2.gz GKDKLWZIGDXZMF-UWVGGRQHSA-N 1 1 323.357 -1.355 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425479517 927374832 /nfs/dbraw/zinc/37/48/32/927374832.db2.gz WBRUZKGDYANXST-WPRPVWTQSA-N 1 1 324.389 -1.407 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001425517986 927385795 /nfs/dbraw/zinc/38/57/95/927385795.db2.gz GSDFMMMCVYZMNQ-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1cn(C)nn1 ZINC001425524329 927387184 /nfs/dbraw/zinc/38/71/84/927387184.db2.gz RGUYOVGOLQZWFP-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001425526081 927388713 /nfs/dbraw/zinc/38/87/13/927388713.db2.gz TZTHWUAGTFFEAV-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001425526085 927389974 /nfs/dbraw/zinc/38/99/74/927389974.db2.gz TZTHWUAGTFFEAV-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425712512 927405972 /nfs/dbraw/zinc/40/59/72/927405972.db2.gz LCAXFEWTJSEDPS-NEPJUHHUSA-N 1 1 300.403 -1.328 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C1CCC1)N1CCNC(=O)C1 ZINC001425719039 927406695 /nfs/dbraw/zinc/40/66/95/927406695.db2.gz NYCQDQGJIRIHLD-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1ccnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001425724079 927408492 /nfs/dbraw/zinc/40/84/92/927408492.db2.gz AUYQBBBXFIZBLO-CHWSQXEVSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1ccnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001425724079 927408502 /nfs/dbraw/zinc/40/85/02/927408502.db2.gz AUYQBBBXFIZBLO-CHWSQXEVSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1N ZINC001425731411 927411746 /nfs/dbraw/zinc/41/17/46/927411746.db2.gz HVUHVNWNPTUKEY-SNVBAGLBSA-N 1 1 319.369 -1.019 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001425729718 927411978 /nfs/dbraw/zinc/41/19/78/927411978.db2.gz IIQAXMXKACKDBL-AAEUAGOBSA-N 1 1 312.370 -1.120 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2)Nc1ccon1 ZINC001425737981 927417249 /nfs/dbraw/zinc/41/72/49/927417249.db2.gz CJAYCNPLSRDQIN-BHDSKKPTSA-N 1 1 324.337 -1.284 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001425743984 927419496 /nfs/dbraw/zinc/41/94/96/927419496.db2.gz ZSYKYPHMVOSDEI-ZYHUDNBSSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001425743981 927420031 /nfs/dbraw/zinc/42/00/31/927420031.db2.gz ZSYKYPHMVOSDEI-PWSUYJOCSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)ncn1 ZINC001425745938 927421025 /nfs/dbraw/zinc/42/10/25/927421025.db2.gz OXIFZXXZZKVGAR-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C)n[nH]1 ZINC001425747750 927421153 /nfs/dbraw/zinc/42/11/53/927421153.db2.gz QITOCJPABOOLQT-SCZZXKLOSA-N 1 1 312.374 -1.801 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001425752174 927425207 /nfs/dbraw/zinc/42/52/07/927425207.db2.gz CIZXXIRJAFCPCN-VXGBXAGGSA-N 1 1 321.381 -1.170 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001425757620 927428439 /nfs/dbraw/zinc/42/84/39/927428439.db2.gz YYTHEACCMURXNG-IUCAKERBSA-N 1 1 307.372 -2.494 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001425762428 927433231 /nfs/dbraw/zinc/43/32/31/927433231.db2.gz WKZYNKICPFPTOI-ZIAGYGMSSA-N 1 1 324.425 -1.327 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ncnn2C)CC[N@H+]1C ZINC001425765139 927433796 /nfs/dbraw/zinc/43/37/96/927433796.db2.gz ZSGWSQYTLCYPCW-GRYCIOLGSA-N 1 1 310.402 -1.278 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@@H]1CCC(=O)NC1 ZINC001425774081 927440650 /nfs/dbraw/zinc/44/06/50/927440650.db2.gz AWNOEMXJCQUYTH-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425779556 927443122 /nfs/dbraw/zinc/44/31/22/927443122.db2.gz RGEFFOMHZFNACI-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)cn1 ZINC001425785167 927446094 /nfs/dbraw/zinc/44/60/94/927446094.db2.gz NDSREKNIPSUHFZ-RYUDHWBXSA-N 1 1 323.397 -1.079 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001425790125 927447913 /nfs/dbraw/zinc/44/79/13/927447913.db2.gz CVGJBLQAKBENBP-PWSUYJOCSA-N 1 1 323.353 -1.662 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425795004 927449956 /nfs/dbraw/zinc/44/99/56/927449956.db2.gz HZJOTCGCMIKRHL-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425794947 927450617 /nfs/dbraw/zinc/45/06/17/927450617.db2.gz HZJOTCGCMIKRHL-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001425796853 927451325 /nfs/dbraw/zinc/45/13/25/927451325.db2.gz DMKIVLCWOBMKKU-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccn(C)n1 ZINC001425798305 927452457 /nfs/dbraw/zinc/45/24/57/927452457.db2.gz NBUXABICHFWBDO-NWDGAFQWSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425801323 927452484 /nfs/dbraw/zinc/45/24/84/927452484.db2.gz RSZCOGUWPBFKGB-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425801323 927452490 /nfs/dbraw/zinc/45/24/90/927452490.db2.gz RSZCOGUWPBFKGB-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425801323 927452499 /nfs/dbraw/zinc/45/24/99/927452499.db2.gz RSZCOGUWPBFKGB-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001425797452 927453379 /nfs/dbraw/zinc/45/33/79/927453379.db2.gz MHYWJWJVVZQMRM-VXGBXAGGSA-N 1 1 300.403 -1.340 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001425797452 927453384 /nfs/dbraw/zinc/45/33/84/927453384.db2.gz MHYWJWJVVZQMRM-VXGBXAGGSA-N 1 1 300.403 -1.340 20 0 DAADMO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001425797442 927453972 /nfs/dbraw/zinc/45/39/72/927453972.db2.gz MHYWJWJVVZQMRM-NWDGAFQWSA-N 1 1 300.403 -1.340 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001425797442 927453975 /nfs/dbraw/zinc/45/39/75/927453975.db2.gz MHYWJWJVVZQMRM-NWDGAFQWSA-N 1 1 300.403 -1.340 20 0 DAADMO CC[C@@H](N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001425809431 927457598 /nfs/dbraw/zinc/45/75/98/927457598.db2.gz QURJATIIVSSWBF-VXGBXAGGSA-N 1 1 300.403 -1.341 20 0 DAADMO CC[C@H](N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001425809430 927457644 /nfs/dbraw/zinc/45/76/44/927457644.db2.gz QURJATIIVSSWBF-RYUDHWBXSA-N 1 1 300.403 -1.341 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)Cc2cnc[nH]2)n1 ZINC001425829220 927464934 /nfs/dbraw/zinc/46/49/34/927464934.db2.gz SLIHUGTZZQVAFB-ZDUSSCGKSA-N 1 1 321.385 -1.073 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001425824253 927465976 /nfs/dbraw/zinc/46/59/76/927465976.db2.gz RRPBZKOCZUBYBK-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425826877 927466531 /nfs/dbraw/zinc/46/65/31/927466531.db2.gz CRQCWTLOQHCVNK-NWDGAFQWSA-N 1 1 300.403 -1.469 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425826877 927466534 /nfs/dbraw/zinc/46/65/34/927466534.db2.gz CRQCWTLOQHCVNK-NWDGAFQWSA-N 1 1 300.403 -1.469 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001425836711 927470303 /nfs/dbraw/zinc/47/03/03/927470303.db2.gz PIWPGBNODBIEGX-LBPRGKRZSA-N 1 1 310.398 -1.573 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425839597 927470520 /nfs/dbraw/zinc/47/05/20/927470520.db2.gz UPRDTTXLYXWPNC-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843106 927473689 /nfs/dbraw/zinc/47/36/89/927473689.db2.gz ZMPUVLSWHDTPLP-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843106 927473700 /nfs/dbraw/zinc/47/37/00/927473700.db2.gz ZMPUVLSWHDTPLP-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCn1nncc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425848327 927477094 /nfs/dbraw/zinc/47/70/94/927477094.db2.gz ZXTHZRBUTQFEOQ-NEPJUHHUSA-N 1 1 310.402 -1.184 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)c(=O)n2C)o1 ZINC001425858390 927480381 /nfs/dbraw/zinc/48/03/81/927480381.db2.gz POIFOGYCNDPFES-JTQLQIEISA-N 1 1 323.353 -1.099 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1conc1C ZINC001425860672 927480856 /nfs/dbraw/zinc/48/08/56/927480856.db2.gz WZCFFHSRQFYGOU-JTQLQIEISA-N 1 1 320.371 -1.901 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001425865171 927481100 /nfs/dbraw/zinc/48/11/00/927481100.db2.gz OYDVPZOKXLFYKT-SNVBAGLBSA-N 1 1 322.325 -1.176 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001425912517 927488611 /nfs/dbraw/zinc/48/86/11/927488611.db2.gz PPRGYPOIJUFBOJ-SGMGOOAPSA-N 1 1 324.385 -1.206 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001425922860 927488782 /nfs/dbraw/zinc/48/87/82/927488782.db2.gz PDTTWHAVLKFGSD-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCNC(N)=O ZINC001425929551 927490949 /nfs/dbraw/zinc/49/09/49/927490949.db2.gz ZVTCATZJIAMFJG-RKDXNWHRSA-N 1 1 310.362 -1.653 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCOC1 ZINC001425977381 927491903 /nfs/dbraw/zinc/49/19/03/927491903.db2.gz AUUKOZRHEDWDQE-WDEREUQCSA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnns1 ZINC001425980079 927494174 /nfs/dbraw/zinc/49/41/74/927494174.db2.gz RHLJXNIFFVKHLK-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccc(=O)[nH]n2)[nH]1 ZINC001425981106 927494670 /nfs/dbraw/zinc/49/46/70/927494670.db2.gz JXNAPTJAYJLDHD-SECBINFHSA-N 1 1 321.341 -1.169 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cn(C)cn1 ZINC001425985003 927497140 /nfs/dbraw/zinc/49/71/40/927497140.db2.gz GZKKLPYZWHTJLH-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1COC(=O)C1 ZINC001425988950 927497252 /nfs/dbraw/zinc/49/72/52/927497252.db2.gz UECATTXFWYNKQO-KOLCDFICSA-N 1 1 312.326 -1.068 20 0 DAADMO CCc1ocnc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001425992605 927497336 /nfs/dbraw/zinc/49/73/36/927497336.db2.gz WWOXJXFPAVOITR-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccc(=O)[nH]n1 ZINC001425987614 927497739 /nfs/dbraw/zinc/49/77/39/927497739.db2.gz UQKVUVVBSDRXFB-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426011136 927502756 /nfs/dbraw/zinc/50/27/56/927502756.db2.gz FPMZBNBTZDDCEE-MWLCHTKSSA-N 1 1 312.374 -1.765 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426011137 927502868 /nfs/dbraw/zinc/50/28/68/927502868.db2.gz FPMZBNBTZDDCEE-ONGXEEELSA-N 1 1 312.374 -1.765 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)co1 ZINC001426013350 927504663 /nfs/dbraw/zinc/50/46/63/927504663.db2.gz JQVJKTAKAIVCLT-JTQLQIEISA-N 1 1 309.330 -1.271 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001426026103 927509057 /nfs/dbraw/zinc/50/90/57/927509057.db2.gz NRTBWADBGOWEEC-NXEZZACHSA-N 1 1 322.373 -1.354 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426027627 927511129 /nfs/dbraw/zinc/51/11/29/927511129.db2.gz CTXKPHWNQWAHLZ-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ncccn1 ZINC001426028966 927511989 /nfs/dbraw/zinc/51/19/89/927511989.db2.gz WJAAECOEFNKLMS-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)CNCc1cnnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001426033620 927512335 /nfs/dbraw/zinc/51/23/35/927512335.db2.gz UKMAMDHQZIPMMG-ZDUSSCGKSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001426035558 927515211 /nfs/dbraw/zinc/51/52/11/927515211.db2.gz PLUHKGKFUCSHKY-SNVBAGLBSA-N 1 1 323.357 -1.342 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001426053042 927518271 /nfs/dbraw/zinc/51/82/71/927518271.db2.gz MSUOTEOHOGCNMZ-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001426056295 927518664 /nfs/dbraw/zinc/51/86/64/927518664.db2.gz AETGSTPZKHQFPE-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001426056295 927518672 /nfs/dbraw/zinc/51/86/72/927518672.db2.gz AETGSTPZKHQFPE-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058935 927520167 /nfs/dbraw/zinc/52/01/67/927520167.db2.gz IEIGZZQDCSWQIN-IUCAKERBSA-N 1 1 312.374 -1.759 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058935 927520172 /nfs/dbraw/zinc/52/01/72/927520172.db2.gz IEIGZZQDCSWQIN-IUCAKERBSA-N 1 1 312.374 -1.759 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001426061885 927520901 /nfs/dbraw/zinc/52/09/01/927520901.db2.gz PMRIYGDIUZWUBP-RYUDHWBXSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001426068964 927521007 /nfs/dbraw/zinc/52/10/07/927521007.db2.gz XJFMZGHRZWZKFM-MRVPVSSYSA-N 1 1 306.338 -1.320 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001426068964 927521016 /nfs/dbraw/zinc/52/10/16/927521016.db2.gz XJFMZGHRZWZKFM-MRVPVSSYSA-N 1 1 306.338 -1.320 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001426068057 927521535 /nfs/dbraw/zinc/52/15/35/927521535.db2.gz ONBSDOZNGPRRAK-GFCCVEGCSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001426068057 927521551 /nfs/dbraw/zinc/52/15/51/927521551.db2.gz ONBSDOZNGPRRAK-GFCCVEGCSA-N 1 1 324.381 -1.504 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001426064370 927522069 /nfs/dbraw/zinc/52/20/69/927522069.db2.gz VJAFPIDKWOVFCC-WDEREUQCSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426064370 927522076 /nfs/dbraw/zinc/52/20/76/927522076.db2.gz VJAFPIDKWOVFCC-WDEREUQCSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001426064370 927522087 /nfs/dbraw/zinc/52/20/87/927522087.db2.gz VJAFPIDKWOVFCC-WDEREUQCSA-N 1 1 300.359 -1.218 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001426058687 927522225 /nfs/dbraw/zinc/52/22/25/927522225.db2.gz HSRAKFDGVPCUFU-LBPRGKRZSA-N 1 1 314.386 -1.894 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001426058687 927522231 /nfs/dbraw/zinc/52/22/31/927522231.db2.gz HSRAKFDGVPCUFU-LBPRGKRZSA-N 1 1 314.386 -1.894 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001426070081 927524235 /nfs/dbraw/zinc/52/42/35/927524235.db2.gz HGOBOBNOFPTARU-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001426070081 927524217 /nfs/dbraw/zinc/52/42/17/927524217.db2.gz HGOBOBNOFPTARU-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001426077458 927525486 /nfs/dbraw/zinc/52/54/86/927525486.db2.gz BLZFDODQZQPZAX-UWVGGRQHSA-N 1 1 302.375 -2.005 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001426077458 927525497 /nfs/dbraw/zinc/52/54/97/927525497.db2.gz BLZFDODQZQPZAX-UWVGGRQHSA-N 1 1 302.375 -2.005 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001426070343 927525567 /nfs/dbraw/zinc/52/55/67/927525567.db2.gz WTQRJKOBFIWBHD-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001426070343 927525580 /nfs/dbraw/zinc/52/55/80/927525580.db2.gz WTQRJKOBFIWBHD-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001426069980 927525602 /nfs/dbraw/zinc/52/56/02/927525602.db2.gz KXRKAJXYRBVQMI-WDEREUQCSA-N 1 1 309.370 -1.327 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)co1 ZINC001426075090 927525675 /nfs/dbraw/zinc/52/56/75/927525675.db2.gz DXBKKPIKJOIDSM-MRVPVSSYSA-N 1 1 300.315 -1.467 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)co1 ZINC001426075090 927525686 /nfs/dbraw/zinc/52/56/86/927525686.db2.gz DXBKKPIKJOIDSM-MRVPVSSYSA-N 1 1 300.315 -1.467 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)c1 ZINC001426070535 927526052 /nfs/dbraw/zinc/52/60/52/927526052.db2.gz YQILQNCMBLECRE-GFCCVEGCSA-N 1 1 322.365 -1.365 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)c1 ZINC001426070535 927526066 /nfs/dbraw/zinc/52/60/66/927526066.db2.gz YQILQNCMBLECRE-GFCCVEGCSA-N 1 1 322.365 -1.365 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CN1CCN(C)C(=O)C1 ZINC001426070265 927526195 /nfs/dbraw/zinc/52/61/95/927526195.db2.gz VFXOWZMROZMVIW-LBPRGKRZSA-N 1 1 318.393 -1.519 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CN1CCN(C)C(=O)C1 ZINC001426070265 927526213 /nfs/dbraw/zinc/52/62/13/927526213.db2.gz VFXOWZMROZMVIW-LBPRGKRZSA-N 1 1 318.393 -1.519 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001426081377 927526949 /nfs/dbraw/zinc/52/69/49/927526949.db2.gz KYSNCEMDXRZMOX-AAEUAGOBSA-N 1 1 313.402 -1.120 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001426081654 927527120 /nfs/dbraw/zinc/52/71/20/927527120.db2.gz WKJMUTSGHKWEIQ-JTQLQIEISA-N 1 1 312.374 -1.464 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090677 927527958 /nfs/dbraw/zinc/52/79/58/927527958.db2.gz UBERBMONNOEWIA-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090677 927527972 /nfs/dbraw/zinc/52/79/72/927527972.db2.gz UBERBMONNOEWIA-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CC[C@@H](C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1)OC ZINC001426082539 927528057 /nfs/dbraw/zinc/52/80/57/927528057.db2.gz WFERUNLRUUKREP-MNOVXSKESA-N 1 1 314.390 -1.000 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001426082385 927528403 /nfs/dbraw/zinc/52/84/03/927528403.db2.gz VORYGPHGOQBKTF-VHSXEESVSA-N 1 1 320.365 -1.059 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001426082385 927528410 /nfs/dbraw/zinc/52/84/10/927528410.db2.gz VORYGPHGOQBKTF-VHSXEESVSA-N 1 1 320.365 -1.059 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077886 927528447 /nfs/dbraw/zinc/52/84/47/927528447.db2.gz DRNZTUFYSHJUDH-OPRDCNLKSA-N 1 1 300.359 -1.412 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077886 927528452 /nfs/dbraw/zinc/52/84/52/927528452.db2.gz DRNZTUFYSHJUDH-OPRDCNLKSA-N 1 1 300.359 -1.412 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001426082962 927528597 /nfs/dbraw/zinc/52/85/97/927528597.db2.gz AQQCJQZFYYHEAR-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001426082962 927528603 /nfs/dbraw/zinc/52/86/03/927528603.db2.gz AQQCJQZFYYHEAR-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO CC[C@H](C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1)OC ZINC001426082545 927528712 /nfs/dbraw/zinc/52/87/12/927528712.db2.gz WFERUNLRUUKREP-WDEREUQCSA-N 1 1 314.390 -1.000 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087613 927529074 /nfs/dbraw/zinc/52/90/74/927529074.db2.gz UZXMLGOBANQHTK-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090688 927529287 /nfs/dbraw/zinc/52/92/87/927529287.db2.gz UBERBMONNOEWIA-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090688 927529295 /nfs/dbraw/zinc/52/92/95/927529295.db2.gz UBERBMONNOEWIA-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001426102743 927531033 /nfs/dbraw/zinc/53/10/33/927531033.db2.gz RFTHZNKBJYAHCO-LBPRGKRZSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001426102743 927531043 /nfs/dbraw/zinc/53/10/43/927531043.db2.gz RFTHZNKBJYAHCO-LBPRGKRZSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001426093814 927531385 /nfs/dbraw/zinc/53/13/85/927531385.db2.gz DKQYOYNQAFEURQ-MNOVXSKESA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001426093814 927531396 /nfs/dbraw/zinc/53/13/96/927531396.db2.gz DKQYOYNQAFEURQ-MNOVXSKESA-N 1 1 314.386 -1.766 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001426104971 927531896 /nfs/dbraw/zinc/53/18/96/927531896.db2.gz VPZFLTJULOOUJZ-CHWSQXEVSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001426099387 927532212 /nfs/dbraw/zinc/53/22/12/927532212.db2.gz SYJCGFYFQLAEHQ-SNVBAGLBSA-N 1 1 315.374 -2.362 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001426099387 927532226 /nfs/dbraw/zinc/53/22/26/927532226.db2.gz SYJCGFYFQLAEHQ-SNVBAGLBSA-N 1 1 315.374 -2.362 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001426098238 927532250 /nfs/dbraw/zinc/53/22/50/927532250.db2.gz QELOBQXKPRTUFP-MNOVXSKESA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001426098238 927532255 /nfs/dbraw/zinc/53/22/55/927532255.db2.gz QELOBQXKPRTUFP-MNOVXSKESA-N 1 1 308.400 -1.836 20 0 DAADMO CC(C)c1nnnn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001426107082 927532421 /nfs/dbraw/zinc/53/24/21/927532421.db2.gz ZKMOCBRSHBJSNW-NSHDSACASA-N 1 1 314.390 -1.460 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001426104693 927532524 /nfs/dbraw/zinc/53/25/24/927532524.db2.gz VJNMSWDZDDSKMP-QWRGUYRKSA-N 1 1 312.374 -1.707 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001426103341 927532640 /nfs/dbraw/zinc/53/26/40/927532640.db2.gz YRSJPGVPQGORDN-WOPDTQHZSA-N 1 1 317.386 -1.977 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001426103339 927532858 /nfs/dbraw/zinc/53/28/58/927532858.db2.gz YRSJPGVPQGORDN-SRVKXCTJSA-N 1 1 317.386 -1.977 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@@H](C)O ZINC001426157995 927533586 /nfs/dbraw/zinc/53/35/86/927533586.db2.gz XKUDAYFEPAQGSD-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)C[C@@H](C)O ZINC001426170390 927533910 /nfs/dbraw/zinc/53/39/10/927533910.db2.gz VVQBYEKXVROJAA-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)COC)C2)C1 ZINC001426506652 927546204 /nfs/dbraw/zinc/54/62/04/927546204.db2.gz KBDMQILIUHEKCH-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)COC)C2)C1 ZINC001426506652 927546215 /nfs/dbraw/zinc/54/62/15/927546215.db2.gz KBDMQILIUHEKCH-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1O ZINC001426509196 927546970 /nfs/dbraw/zinc/54/69/70/927546970.db2.gz ZOJJCBAIRDRZTK-JMSVASOKSA-N 1 1 311.382 -1.193 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1O ZINC001426539234 927554384 /nfs/dbraw/zinc/55/43/84/927554384.db2.gz LTARLYCHSGBVQC-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426563715 927555812 /nfs/dbraw/zinc/55/58/12/927555812.db2.gz JZHPQMKGVIFYBJ-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426563715 927555824 /nfs/dbraw/zinc/55/58/24/927555824.db2.gz JZHPQMKGVIFYBJ-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001426578609 927556935 /nfs/dbraw/zinc/55/69/35/927556935.db2.gz YWSBJPSCTLSDHJ-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426598484 927558194 /nfs/dbraw/zinc/55/81/94/927558194.db2.gz DBXUSBGJOQJKNT-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426629199 927560570 /nfs/dbraw/zinc/56/05/70/927560570.db2.gz UCYFDZXJMNYZHS-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426629199 927560573 /nfs/dbraw/zinc/56/05/73/927560573.db2.gz UCYFDZXJMNYZHS-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001426662079 927567725 /nfs/dbraw/zinc/56/77/25/927567725.db2.gz IIKWLJSKZXDHOD-WOPDTQHZSA-N 1 1 313.398 -1.071 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001426671305 927571568 /nfs/dbraw/zinc/57/15/68/927571568.db2.gz NBQYSIHFHRZLJE-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC(C)(C)CNC(N)=O ZINC001426904997 927589701 /nfs/dbraw/zinc/58/97/01/927589701.db2.gz BOEYUUNXGPKEOR-JTQLQIEISA-N 1 1 300.407 -1.022 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001427028129 927590675 /nfs/dbraw/zinc/59/06/75/927590675.db2.gz HENFODLBBSZBIG-UWVGGRQHSA-N 1 1 311.386 -1.431 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001427034856 927591193 /nfs/dbraw/zinc/59/11/93/927591193.db2.gz GADCGQWXDQWIOC-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001427103615 927595900 /nfs/dbraw/zinc/59/59/00/927595900.db2.gz QNBUDMJKBWFDDP-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001427103615 927595908 /nfs/dbraw/zinc/59/59/08/927595908.db2.gz QNBUDMJKBWFDDP-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001427135053 927596978 /nfs/dbraw/zinc/59/69/78/927596978.db2.gz ZRVGVLAQFHFDBX-IJLUTSLNSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001427135053 927596987 /nfs/dbraw/zinc/59/69/87/927596987.db2.gz ZRVGVLAQFHFDBX-IJLUTSLNSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001427135051 927597322 /nfs/dbraw/zinc/59/73/22/927597322.db2.gz ZRVGVLAQFHFDBX-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001427135051 927597334 /nfs/dbraw/zinc/59/73/34/927597334.db2.gz ZRVGVLAQFHFDBX-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@H]1C[N@H+](C)CCO1 ZINC001427122108 927597369 /nfs/dbraw/zinc/59/73/69/927597369.db2.gz BFERODXDKZUGPO-IQJOONFLSA-N 1 1 313.358 -1.365 20 0 DAADMO C[C@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@H]1C[N@@H+](C)CCO1 ZINC001427122108 927597373 /nfs/dbraw/zinc/59/73/73/927597373.db2.gz BFERODXDKZUGPO-IQJOONFLSA-N 1 1 313.358 -1.365 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001427159859 927599082 /nfs/dbraw/zinc/59/90/82/927599082.db2.gz ALDNKAHZCAJSNV-SYQHCUMBSA-N 1 1 322.409 -1.105 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001427403699 927609182 /nfs/dbraw/zinc/60/91/82/927609182.db2.gz JDRYFDXGTHPODO-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO NC(=O)C1=NO[C@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001427505550 927614447 /nfs/dbraw/zinc/61/44/47/927614447.db2.gz VSBQNKXEXBGPSX-JTQLQIEISA-N 1 1 313.358 -1.362 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516682 927616131 /nfs/dbraw/zinc/61/61/31/927616131.db2.gz UPHZJOIDTNLGRG-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516682 927616134 /nfs/dbraw/zinc/61/61/34/927616134.db2.gz UPHZJOIDTNLGRG-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001427650901 927621949 /nfs/dbraw/zinc/62/19/49/927621949.db2.gz VAXAXIASSLKXPV-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001427640575 927623153 /nfs/dbraw/zinc/62/31/53/927623153.db2.gz YPQKEORZZIHROP-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CCC(=O)NC[C@@H](CO)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001427726266 927630545 /nfs/dbraw/zinc/63/05/45/927630545.db2.gz DPPNHRAFEQMFSC-NWDGAFQWSA-N 1 1 311.386 -1.183 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001427743551 927640673 /nfs/dbraw/zinc/64/06/73/927640673.db2.gz FEKJBBAAVWSHHS-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001427745861 927642265 /nfs/dbraw/zinc/64/22/65/927642265.db2.gz PDOBPAMLRUAVPW-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001427745861 927642273 /nfs/dbraw/zinc/64/22/73/927642273.db2.gz PDOBPAMLRUAVPW-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001427756745 927645710 /nfs/dbraw/zinc/64/57/10/927645710.db2.gz REIGNBNQCSOXON-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnsn2)C1 ZINC001427753859 927646416 /nfs/dbraw/zinc/64/64/16/927646416.db2.gz CSLOTUHBRUKOIE-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cnsn2)C1 ZINC001427753855 927646550 /nfs/dbraw/zinc/64/65/50/927646550.db2.gz CSLOTUHBRUKOIE-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001427766730 927652211 /nfs/dbraw/zinc/65/22/11/927652211.db2.gz PZDVOACPZIORQA-RYUDHWBXSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001427766725 927653090 /nfs/dbraw/zinc/65/30/90/927653090.db2.gz PZDVOACPZIORQA-NEPJUHHUSA-N 1 1 310.354 -1.179 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001427773528 927656512 /nfs/dbraw/zinc/65/65/12/927656512.db2.gz DXBKXOWLRDLJMK-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001427780783 927661517 /nfs/dbraw/zinc/66/15/17/927661517.db2.gz NCJRKHAQYHGOMS-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001427780784 927661880 /nfs/dbraw/zinc/66/18/80/927661880.db2.gz NCJRKHAQYHGOMS-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001427784989 927663726 /nfs/dbraw/zinc/66/37/26/927663726.db2.gz CIPAGKKXEPVVMQ-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001427787137 927665343 /nfs/dbraw/zinc/66/53/43/927665343.db2.gz RHJQBTPBCXMYKX-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1nccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001427786433 927666354 /nfs/dbraw/zinc/66/63/54/927666354.db2.gz VUTGCXGZWOQVGE-QWRGUYRKSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001427789022 927667414 /nfs/dbraw/zinc/66/74/14/927667414.db2.gz SWISSBFGEOYDSG-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001427798094 927670169 /nfs/dbraw/zinc/67/01/69/927670169.db2.gz OXRLMOPYZJFOSC-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(F)F)C1 ZINC001427815707 927678622 /nfs/dbraw/zinc/67/86/22/927678622.db2.gz GLZJSPPGPPHEIN-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(F)F)C1 ZINC001427815707 927678628 /nfs/dbraw/zinc/67/86/28/927678628.db2.gz GLZJSPPGPPHEIN-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cncn2)C1 ZINC001427820232 927678828 /nfs/dbraw/zinc/67/88/28/927678828.db2.gz CQSAPZIDSHPRLQ-WDEREUQCSA-N 1 1 310.358 -2.177 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001427822600 927681752 /nfs/dbraw/zinc/68/17/52/927681752.db2.gz AWXLSVLIPQURNC-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822600 927681755 /nfs/dbraw/zinc/68/17/55/927681755.db2.gz AWXLSVLIPQURNC-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822600 927681762 /nfs/dbraw/zinc/68/17/62/927681762.db2.gz AWXLSVLIPQURNC-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427822866 927681902 /nfs/dbraw/zinc/68/19/02/927681902.db2.gz HCMZUVTZIZDQEX-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001427821407 927682547 /nfs/dbraw/zinc/68/25/47/927682547.db2.gz DXFLBSDRPLPBGJ-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427826996 927683961 /nfs/dbraw/zinc/68/39/61/927683961.db2.gz NGXVSFPGNHAWJR-VHSXEESVSA-N 1 1 310.358 -1.728 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427826989 927684267 /nfs/dbraw/zinc/68/42/67/927684267.db2.gz NGXVSFPGNHAWJR-UWVGGRQHSA-N 1 1 310.358 -1.728 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ncccn1 ZINC001427830888 927684418 /nfs/dbraw/zinc/68/44/18/927684418.db2.gz QFOCLFVNQJHTQF-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCn2cccn2)C1 ZINC001427829007 927685005 /nfs/dbraw/zinc/68/50/05/927685005.db2.gz PBZCXNMXACLVOQ-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cn[nH]n2)C1 ZINC001427833422 927685868 /nfs/dbraw/zinc/68/58/68/927685868.db2.gz VCQODQPCRDJNOI-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833422 927685873 /nfs/dbraw/zinc/68/58/73/927685873.db2.gz VCQODQPCRDJNOI-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833422 927685878 /nfs/dbraw/zinc/68/58/78/927685878.db2.gz VCQODQPCRDJNOI-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833422 927685882 /nfs/dbraw/zinc/68/58/82/927685882.db2.gz VCQODQPCRDJNOI-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833422 927685886 /nfs/dbraw/zinc/68/58/86/927685886.db2.gz VCQODQPCRDJNOI-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001427835178 927686005 /nfs/dbraw/zinc/68/60/05/927686005.db2.gz YNTGSEQVPFEGJW-YPMHNXCESA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cn[nH]n2)C1 ZINC001427833420 927686533 /nfs/dbraw/zinc/68/65/33/927686533.db2.gz VCQODQPCRDJNOI-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833420 927686545 /nfs/dbraw/zinc/68/65/45/927686545.db2.gz VCQODQPCRDJNOI-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833420 927686556 /nfs/dbraw/zinc/68/65/56/927686556.db2.gz VCQODQPCRDJNOI-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833420 927686564 /nfs/dbraw/zinc/68/65/64/927686564.db2.gz VCQODQPCRDJNOI-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833420 927686579 /nfs/dbraw/zinc/68/65/79/927686579.db2.gz VCQODQPCRDJNOI-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001427833639 927687241 /nfs/dbraw/zinc/68/72/41/927687241.db2.gz WIXNKVPUXUQIBB-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001427833644 927687384 /nfs/dbraw/zinc/68/73/84/927687384.db2.gz WIXNKVPUXUQIBB-WDEREUQCSA-N 1 1 301.387 -1.308 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001427835173 927687826 /nfs/dbraw/zinc/68/78/26/927687826.db2.gz YNTGSEQVPFEGJW-WCQYABFASA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001427835164 927687876 /nfs/dbraw/zinc/68/78/76/927687876.db2.gz YNTGSEQVPFEGJW-AAEUAGOBSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001427845707 927689960 /nfs/dbraw/zinc/68/99/60/927689960.db2.gz KMNUQVZGDOHHJH-GHMZBOCLSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001427846426 927690010 /nfs/dbraw/zinc/69/00/10/927690010.db2.gz AHMJEIADASMXLZ-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001427846446 927690264 /nfs/dbraw/zinc/69/02/64/927690264.db2.gz AHMJEIADASMXLZ-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1nonc1C ZINC001427850449 927692173 /nfs/dbraw/zinc/69/21/73/927692173.db2.gz LAWYNIMBNIGNEW-SNVBAGLBSA-N 1 1 313.358 -1.073 20 0 DAADMO CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001427872822 927696148 /nfs/dbraw/zinc/69/61/48/927696148.db2.gz OLYBLDXMXILXTD-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001427876846 927696801 /nfs/dbraw/zinc/69/68/01/927696801.db2.gz VPCIPWIPIAJDMZ-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CC[N@@H+]1C ZINC001427876846 927696811 /nfs/dbraw/zinc/69/68/11/927696811.db2.gz VPCIPWIPIAJDMZ-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CC[N@H+]1C ZINC001427876846 927696814 /nfs/dbraw/zinc/69/68/14/927696814.db2.gz VPCIPWIPIAJDMZ-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cnnn1C ZINC001427875153 927697163 /nfs/dbraw/zinc/69/71/63/927697163.db2.gz KYJITMZFKDTZEE-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001427890263 927699652 /nfs/dbraw/zinc/69/96/52/927699652.db2.gz GOIGNLZHEIQGEZ-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890263 927699654 /nfs/dbraw/zinc/69/96/54/927699654.db2.gz GOIGNLZHEIQGEZ-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890263 927699658 /nfs/dbraw/zinc/69/96/58/927699658.db2.gz GOIGNLZHEIQGEZ-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001427909911 927703729 /nfs/dbraw/zinc/70/37/29/927703729.db2.gz PAFITURJQFKTEQ-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001427903040 927703782 /nfs/dbraw/zinc/70/37/82/927703782.db2.gz XCNGDICRYXKICV-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001427915453 927707233 /nfs/dbraw/zinc/70/72/33/927707233.db2.gz DTKDRWMZRMZOKD-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001427915453 927707248 /nfs/dbraw/zinc/70/72/48/927707248.db2.gz DTKDRWMZRMZOKD-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001427915453 927707258 /nfs/dbraw/zinc/70/72/58/927707258.db2.gz DTKDRWMZRMZOKD-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001427915453 927707265 /nfs/dbraw/zinc/70/72/65/927707265.db2.gz DTKDRWMZRMZOKD-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001427915453 927707276 /nfs/dbraw/zinc/70/72/76/927707276.db2.gz DTKDRWMZRMZOKD-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001427926534 927710910 /nfs/dbraw/zinc/71/09/10/927710910.db2.gz PKNJKSJNEVNXQA-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001427926491 927711250 /nfs/dbraw/zinc/71/12/50/927711250.db2.gz OYMVNNTWVKOUGO-SNVBAGLBSA-N 1 1 312.374 -1.340 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001427925664 927711671 /nfs/dbraw/zinc/71/16/71/927711671.db2.gz SRYIAOPJFYMJQN-KOLCDFICSA-N 1 1 311.342 -1.239 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427931704 927714457 /nfs/dbraw/zinc/71/44/57/927714457.db2.gz ZHXHYUYQMUKNHM-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001427943559 927717616 /nfs/dbraw/zinc/71/76/16/927717616.db2.gz DIHKYOQNEXRCON-SNVBAGLBSA-N 1 1 312.374 -1.799 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)=NC1=O ZINC001427948142 927717673 /nfs/dbraw/zinc/71/76/73/927717673.db2.gz MSBKDFAWSUEFBH-SECBINFHSA-N 1 1 313.358 -1.716 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn(C)cn2)C1 ZINC001427969648 927722972 /nfs/dbraw/zinc/72/29/72/927722972.db2.gz KYNCNYSGCWWZQA-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn(C)cn2)C1 ZINC001427969652 927723712 /nfs/dbraw/zinc/72/37/12/927723712.db2.gz KYNCNYSGCWWZQA-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnnn2C)C1 ZINC001427976076 927725080 /nfs/dbraw/zinc/72/50/80/927725080.db2.gz RLCZUHVZBNOFGT-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@H]1C ZINC001427994469 927728237 /nfs/dbraw/zinc/72/82/37/927728237.db2.gz GYXFYAOXNMULJX-MWLCHTKSSA-N 1 1 322.369 -1.035 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428160259 927742472 /nfs/dbraw/zinc/74/24/72/927742472.db2.gz RKWFNMMNBCXGAU-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccnn1C ZINC001428168847 927744924 /nfs/dbraw/zinc/74/49/24/927744924.db2.gz GDXIYWNSADQLAU-VXGBXAGGSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001428187552 927749981 /nfs/dbraw/zinc/74/99/81/927749981.db2.gz SATKBCVESWBGFJ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001428187552 927749986 /nfs/dbraw/zinc/74/99/86/927749986.db2.gz SATKBCVESWBGFJ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001428187552 927749990 /nfs/dbraw/zinc/74/99/90/927749990.db2.gz SATKBCVESWBGFJ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001428182638 927750275 /nfs/dbraw/zinc/75/02/75/927750275.db2.gz TTXPOBYBZLCNPH-DCAQKATOSA-N 1 1 317.411 -1.254 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428195596 927751564 /nfs/dbraw/zinc/75/15/64/927751564.db2.gz CPSYKHDEFDGXJX-RYUDHWBXSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001428205529 927754623 /nfs/dbraw/zinc/75/46/23/927754623.db2.gz CIXQTYQITOZIIA-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001428240601 927763506 /nfs/dbraw/zinc/76/35/06/927763506.db2.gz XVRYMMHMIHGRLN-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001428253521 927765633 /nfs/dbraw/zinc/76/56/33/927765633.db2.gz COQCDQJCFKOXBU-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001428311942 927772332 /nfs/dbraw/zinc/77/23/32/927772332.db2.gz ZVFSHRQEUUFGIU-AXFHLTTASA-N 1 1 311.386 -1.229 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001428307965 927772610 /nfs/dbraw/zinc/77/26/10/927772610.db2.gz LMGROYAIWCPTLS-AOOOYVTPSA-N 1 1 309.374 -1.073 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1nnc2c(=O)[nH]ccn12 ZINC001428303014 927773319 /nfs/dbraw/zinc/77/33/19/927773319.db2.gz JYCURQVRJXPJKT-SECBINFHSA-N 1 1 321.341 -1.717 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1COC[C@@H]1O ZINC001428319286 927773440 /nfs/dbraw/zinc/77/34/40/927773440.db2.gz WLCFVJMEWJCNTD-MNOVXSKESA-N 1 1 301.343 -1.506 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1COC[C@@H]1O ZINC001428319286 927773452 /nfs/dbraw/zinc/77/34/52/927773452.db2.gz WLCFVJMEWJCNTD-MNOVXSKESA-N 1 1 301.343 -1.506 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CCN1C ZINC001428390432 927775537 /nfs/dbraw/zinc/77/55/37/927775537.db2.gz SRLWJLXUVWLDCV-NXEZZACHSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001428390432 927775547 /nfs/dbraw/zinc/77/55/47/927775547.db2.gz SRLWJLXUVWLDCV-NXEZZACHSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001428390432 927775560 /nfs/dbraw/zinc/77/55/60/927775560.db2.gz SRLWJLXUVWLDCV-NXEZZACHSA-N 1 1 307.420 -1.792 20 0 DAADMO COCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428413968 927778655 /nfs/dbraw/zinc/77/86/55/927778655.db2.gz WGROMFUXBZXAJZ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001428413968 927778665 /nfs/dbraw/zinc/77/86/65/927778665.db2.gz WGROMFUXBZXAJZ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428413968 927778682 /nfs/dbraw/zinc/77/86/82/927778682.db2.gz WGROMFUXBZXAJZ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001428449248 927779574 /nfs/dbraw/zinc/77/95/74/927779574.db2.gz IVEOHKHSQZZQSI-PUHVVEEASA-N 1 1 323.397 -1.431 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428489820 927783874 /nfs/dbraw/zinc/78/38/74/927783874.db2.gz AJAPBQAIGQRBBQ-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428489820 927783882 /nfs/dbraw/zinc/78/38/82/927783882.db2.gz AJAPBQAIGQRBBQ-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428552972 927786096 /nfs/dbraw/zinc/78/60/96/927786096.db2.gz XCMXHEJLUJSTRO-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428552972 927786103 /nfs/dbraw/zinc/78/61/03/927786103.db2.gz XCMXHEJLUJSTRO-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001428568338 927787401 /nfs/dbraw/zinc/78/74/01/927787401.db2.gz IBJFWHPVSLBBGY-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001428568338 927787409 /nfs/dbraw/zinc/78/74/09/927787409.db2.gz IBJFWHPVSLBBGY-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001428624916 927790842 /nfs/dbraw/zinc/79/08/42/927790842.db2.gz BRRQOZXHJSOYNH-SECBINFHSA-N 1 1 321.341 -1.190 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645317 927792615 /nfs/dbraw/zinc/79/26/15/927792615.db2.gz JKEKIYSZVXUNDA-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645317 927792622 /nfs/dbraw/zinc/79/26/22/927792622.db2.gz JKEKIYSZVXUNDA-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001428722567 927797308 /nfs/dbraw/zinc/79/73/08/927797308.db2.gz FBLBIAWUIFDDGG-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001428722569 927797579 /nfs/dbraw/zinc/79/75/79/927797579.db2.gz FBLBIAWUIFDDGG-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2O)n[nH]1 ZINC001428793492 927808645 /nfs/dbraw/zinc/80/86/45/927808645.db2.gz BGVFDJJGTBTTNL-GHMZBOCLSA-N 1 1 324.385 -1.705 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CNC(=O)NC ZINC001428814096 927813258 /nfs/dbraw/zinc/81/32/58/927813258.db2.gz NKSUEXDLXVQSDN-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1 ZINC001428815066 927813298 /nfs/dbraw/zinc/81/32/98/927813298.db2.gz QKGHGJOMLOARHW-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCF)C2)C1 ZINC001428815066 927813307 /nfs/dbraw/zinc/81/33/07/927813307.db2.gz QKGHGJOMLOARHW-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001428876128 927817489 /nfs/dbraw/zinc/81/74/89/927817489.db2.gz AEZTYMIOCHFHHR-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1O ZINC001428903189 927822695 /nfs/dbraw/zinc/82/26/95/927822695.db2.gz ZQTQMMSPCMKHJJ-NEPJUHHUSA-N 1 1 323.353 -1.834 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001428924842 927826915 /nfs/dbraw/zinc/82/69/15/927826915.db2.gz GGLFFHNYLDMSRK-NEPJUHHUSA-N 1 1 324.385 -1.542 20 0 DAADMO CN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001428939839 927828980 /nfs/dbraw/zinc/82/89/80/927828980.db2.gz KROXRYZPZFKCMO-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001428946185 927830421 /nfs/dbraw/zinc/83/04/21/927830421.db2.gz YPSCHHTYUFKRLI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNC(=O)Cn1ncnn1 ZINC001429031335 927836172 /nfs/dbraw/zinc/83/61/72/927836172.db2.gz RCVAURHCDAODDU-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2ncn(C)n2)C1 ZINC001429245808 927851434 /nfs/dbraw/zinc/85/14/34/927851434.db2.gz WGENZDDNWYLKOW-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2ncn(C)n2)C1 ZINC001429245808 927851446 /nfs/dbraw/zinc/85/14/46/927851446.db2.gz WGENZDDNWYLKOW-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCNC(=O)C1CS(=O)(=O)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC001429271493 927852722 /nfs/dbraw/zinc/85/27/22/927852722.db2.gz DOECRUQVDCPZFL-LLVKDONJSA-N 1 1 317.411 -1.300 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001429268986 927852820 /nfs/dbraw/zinc/85/28/20/927852820.db2.gz FBZBWRCCGCSJCZ-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO CN(CCNC(=O)C1CS(=O)(=O)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001429271494 927853385 /nfs/dbraw/zinc/85/33/85/927853385.db2.gz DOECRUQVDCPZFL-NSHDSACASA-N 1 1 317.411 -1.300 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001429273464 927854493 /nfs/dbraw/zinc/85/44/93/927854493.db2.gz AUHANGZZYFRZPA-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001429273463 927855813 /nfs/dbraw/zinc/85/58/13/927855813.db2.gz AUHANGZZYFRZPA-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 ZINC001429276361 927855920 /nfs/dbraw/zinc/85/59/20/927855920.db2.gz DGYBHWDPKMCZNX-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001429284034 927856109 /nfs/dbraw/zinc/85/61/09/927856109.db2.gz UVBZSGXMYXWPRD-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001429310639 927859541 /nfs/dbraw/zinc/85/95/41/927859541.db2.gz XOTRTRSMQDVSDF-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001429310639 927859552 /nfs/dbraw/zinc/85/95/52/927859552.db2.gz XOTRTRSMQDVSDF-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)Cn1ncnn1 ZINC001429323133 927861680 /nfs/dbraw/zinc/86/16/80/927861680.db2.gz GPBDXZVLCMBHTM-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001429319268 927861861 /nfs/dbraw/zinc/86/18/61/927861861.db2.gz DBFVCPYFDYICEL-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001429319268 927861874 /nfs/dbraw/zinc/86/18/74/927861874.db2.gz DBFVCPYFDYICEL-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001429424235 927868355 /nfs/dbraw/zinc/86/83/55/927868355.db2.gz FZNCDZXFPRJKJL-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CN(CCNC(=O)Cn1cncn1)C(=O)CC[NH+]1CCOCC1 ZINC001429503856 927877620 /nfs/dbraw/zinc/87/76/20/927877620.db2.gz NTHQOCZQKYMCOM-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001429515892 927880112 /nfs/dbraw/zinc/88/01/12/927880112.db2.gz MDGSAKBUQHIGFF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC001429562186 927883010 /nfs/dbraw/zinc/88/30/10/927883010.db2.gz WSVZFLOSEKPPJI-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN1C(=O)CNC(N)=O ZINC001429737415 927892057 /nfs/dbraw/zinc/89/20/57/927892057.db2.gz PBPAYQFKEGJMJW-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001429806705 927898330 /nfs/dbraw/zinc/89/83/30/927898330.db2.gz JASQLPRMIORRNH-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001430123006 927911242 /nfs/dbraw/zinc/91/12/42/927911242.db2.gz LCXILWRRCRPIGQ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001430164462 927917235 /nfs/dbraw/zinc/91/72/35/927917235.db2.gz YXZRZQCAZWIHJV-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CCC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001430164462 927917239 /nfs/dbraw/zinc/91/72/39/927917239.db2.gz YXZRZQCAZWIHJV-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CCNC(=O)NC)C1 ZINC001430299815 927935222 /nfs/dbraw/zinc/93/52/22/927935222.db2.gz KOOARPJMYDGWDT-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430327860 927937482 /nfs/dbraw/zinc/93/74/82/927937482.db2.gz YLMNISVHRYLMAV-ZDUSSCGKSA-N 1 1 310.398 -1.009 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001430358431 927941234 /nfs/dbraw/zinc/94/12/34/927941234.db2.gz XRRZSCIFIQSVMS-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001430410161 927948919 /nfs/dbraw/zinc/94/89/19/927948919.db2.gz GKBIPFXDAXZSHC-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)Cn2cncn2)C1 ZINC001430449741 927952320 /nfs/dbraw/zinc/95/23/20/927952320.db2.gz FOBKUQCBEINDHD-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001430456678 927953614 /nfs/dbraw/zinc/95/36/14/927953614.db2.gz SNXBGOORQYMDCA-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001430459744 927954699 /nfs/dbraw/zinc/95/46/99/927954699.db2.gz OSGCSJJVJHCWGJ-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001430555739 927964353 /nfs/dbraw/zinc/96/43/53/927964353.db2.gz NOBDGTTXQCMEBY-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001430817649 927980534 /nfs/dbraw/zinc/98/05/34/927980534.db2.gz MTSXYIBCHWMLRU-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431000066 927989292 /nfs/dbraw/zinc/98/92/92/927989292.db2.gz FEHQQGPDNICZQH-CMPLNLGQSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431000066 927989303 /nfs/dbraw/zinc/98/93/03/927989303.db2.gz FEHQQGPDNICZQH-CMPLNLGQSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430996139 927990272 /nfs/dbraw/zinc/99/02/72/927990272.db2.gz WIDIQTCKZAOEMB-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430996139 927990281 /nfs/dbraw/zinc/99/02/81/927990281.db2.gz WIDIQTCKZAOEMB-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001431130043 927996513 /nfs/dbraw/zinc/99/65/13/927996513.db2.gz DBQADVWYUAPSSR-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1ccnn1C ZINC001431187905 928001558 /nfs/dbraw/zinc/00/15/58/928001558.db2.gz RKAIVWKJDCBXTR-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccnn1C ZINC001431187905 928001570 /nfs/dbraw/zinc/00/15/70/928001570.db2.gz RKAIVWKJDCBXTR-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431238531 928006470 /nfs/dbraw/zinc/00/64/70/928006470.db2.gz AADLPDBILLBFOH-NWDGAFQWSA-N 1 1 323.401 -1.118 20 0 DAADMO CN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431341251 928012813 /nfs/dbraw/zinc/01/28/13/928012813.db2.gz CJNPQBSTUKITIW-LLVKDONJSA-N 1 1 324.385 -1.892 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)Cn2ncnn2)C1 ZINC001431396638 928015626 /nfs/dbraw/zinc/01/56/26/928015626.db2.gz SPTVHAVZFPFVFB-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001431381017 928015800 /nfs/dbraw/zinc/01/58/00/928015800.db2.gz KZOIZMHVZDDTGT-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1nc[nH]n1 ZINC001431369691 928015831 /nfs/dbraw/zinc/01/58/31/928015831.db2.gz HAJMABLBIZYESM-UHFFFAOYSA-N 1 1 310.358 -1.285 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001431415388 928018867 /nfs/dbraw/zinc/01/88/67/928018867.db2.gz CKJSQEVSJSRAFV-LLVKDONJSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001431433816 928021107 /nfs/dbraw/zinc/02/11/07/928021107.db2.gz OUGIOIQJIBENNO-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431477995 928030757 /nfs/dbraw/zinc/03/07/57/928030757.db2.gz BDFJJYYRFKSSLR-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431477995 928030766 /nfs/dbraw/zinc/03/07/66/928030766.db2.gz BDFJJYYRFKSSLR-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001431489221 928033960 /nfs/dbraw/zinc/03/39/60/928033960.db2.gz CPHQEIMWRZWZDL-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001431503111 928041845 /nfs/dbraw/zinc/04/18/45/928041845.db2.gz SMQZIZQUJKLLLA-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncccc2O)C1 ZINC001431528157 928050090 /nfs/dbraw/zinc/05/00/90/928050090.db2.gz GTPJSSHPLHOJPJ-QWRGUYRKSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]n1)C1CCC1 ZINC001431538027 928054678 /nfs/dbraw/zinc/05/46/78/928054678.db2.gz LWKVDJREEXQJOG-NSHDSACASA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001431538027 928054693 /nfs/dbraw/zinc/05/46/93/928054693.db2.gz LWKVDJREEXQJOG-NSHDSACASA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001431538027 928054710 /nfs/dbraw/zinc/05/47/10/928054710.db2.gz LWKVDJREEXQJOG-NSHDSACASA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431547059 928057528 /nfs/dbraw/zinc/05/75/28/928057528.db2.gz MVBUFOBJECDWLG-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431545418 928058032 /nfs/dbraw/zinc/05/80/32/928058032.db2.gz CTQMHRXUHMNQPN-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431545420 928058762 /nfs/dbraw/zinc/05/87/62/928058762.db2.gz CTQMHRXUHMNQPN-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001431540875 928058916 /nfs/dbraw/zinc/05/89/16/928058916.db2.gz HSDVRDVYMQNAHF-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540875 928058924 /nfs/dbraw/zinc/05/89/24/928058924.db2.gz HSDVRDVYMQNAHF-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540875 928058938 /nfs/dbraw/zinc/05/89/38/928058938.db2.gz HSDVRDVYMQNAHF-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001431547111 928059692 /nfs/dbraw/zinc/05/96/92/928059692.db2.gz LVLHPCLPNOQLIK-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547111 928059709 /nfs/dbraw/zinc/05/97/09/928059709.db2.gz LVLHPCLPNOQLIK-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547111 928059720 /nfs/dbraw/zinc/05/97/20/928059720.db2.gz LVLHPCLPNOQLIK-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001431547103 928060370 /nfs/dbraw/zinc/06/03/70/928060370.db2.gz LVLHPCLPNOQLIK-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547103 928060380 /nfs/dbraw/zinc/06/03/80/928060380.db2.gz LVLHPCLPNOQLIK-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547103 928060389 /nfs/dbraw/zinc/06/03/89/928060389.db2.gz LVLHPCLPNOQLIK-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2n[nH]cc2F)C1 ZINC001431551531 928060823 /nfs/dbraw/zinc/06/08/23/928060823.db2.gz QXAPUJSBWQAZNR-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551531 928060840 /nfs/dbraw/zinc/06/08/40/928060840.db2.gz QXAPUJSBWQAZNR-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551531 928060850 /nfs/dbraw/zinc/06/08/50/928060850.db2.gz QXAPUJSBWQAZNR-IUCAKERBSA-N 1 1 313.333 -1.293 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001431555624 928061966 /nfs/dbraw/zinc/06/19/66/928061966.db2.gz AWYLBOISXZFSDW-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001431561400 928064986 /nfs/dbraw/zinc/06/49/86/928064986.db2.gz YFNOSNGBAJXLBI-ZOWXZIJZSA-N 1 1 322.365 -1.179 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001431565819 928065090 /nfs/dbraw/zinc/06/50/90/928065090.db2.gz JEJAFFZKTPIHGJ-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001431569754 928066514 /nfs/dbraw/zinc/06/65/14/928066514.db2.gz QCSJAYKKZOMFIO-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001431569749 928067077 /nfs/dbraw/zinc/06/70/77/928067077.db2.gz QCSJAYKKZOMFIO-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431637806 928073683 /nfs/dbraw/zinc/07/36/83/928073683.db2.gz ICEZCUVAFBZCCR-IJLUTSLNSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431637806 928073694 /nfs/dbraw/zinc/07/36/94/928073694.db2.gz ICEZCUVAFBZCCR-IJLUTSLNSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001431625138 928074241 /nfs/dbraw/zinc/07/42/41/928074241.db2.gz NGKYAPXFSJOJNP-KXUCPTDWSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001431625138 928074253 /nfs/dbraw/zinc/07/42/53/928074253.db2.gz NGKYAPXFSJOJNP-KXUCPTDWSA-N 1 1 315.374 -2.005 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431694259 928077989 /nfs/dbraw/zinc/07/79/89/928077989.db2.gz RHWPUSBRXRCZPL-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C[N@@H+](C)C(C)C ZINC001431691762 928078743 /nfs/dbraw/zinc/07/87/43/928078743.db2.gz VDIWIWLVDYRILM-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001432024322 928099437 /nfs/dbraw/zinc/09/94/37/928099437.db2.gz ZYYSFZDBJIXORJ-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001432024318 928099461 /nfs/dbraw/zinc/09/94/61/928099461.db2.gz ZYYSFZDBJIXORJ-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC001432042912 928100577 /nfs/dbraw/zinc/10/05/77/928100577.db2.gz JOYQOXOZIUJMPO-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC001432042917 928101023 /nfs/dbraw/zinc/10/10/23/928101023.db2.gz JOYQOXOZIUJMPO-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)CCNC(N)=O)CC2)C1 ZINC001432174266 928109210 /nfs/dbraw/zinc/10/92/10/928109210.db2.gz JIPUQECJOBUBNH-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO CC(=O)NCC(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001432173015 928109490 /nfs/dbraw/zinc/10/94/90/928109490.db2.gz FBGLQPCPLNXAOF-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cn3cnnn3)CC2)CC[N@H+]1C ZINC001432184651 928111547 /nfs/dbraw/zinc/11/15/47/928111547.db2.gz KMBKNIGLAJSIRH-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC001432318810 928131128 /nfs/dbraw/zinc/13/11/28/928131128.db2.gz OZSBYJLBGWNWPG-UHFFFAOYSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001432349998 928135798 /nfs/dbraw/zinc/13/57/98/928135798.db2.gz LVOSSFROHNGPDZ-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001432337131 928136117 /nfs/dbraw/zinc/13/61/17/928136117.db2.gz ASVLCKQRPOLMQJ-JTQLQIEISA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001432369807 928137373 /nfs/dbraw/zinc/13/73/73/928137373.db2.gz CELKSVICOUOHLJ-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432376711 928139490 /nfs/dbraw/zinc/13/94/90/928139490.db2.gz QMLRFSRIECCIPE-LLVKDONJSA-N 1 1 321.385 -1.411 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001432392219 928142016 /nfs/dbraw/zinc/14/20/16/928142016.db2.gz HKROOSZDXDMMMV-SNVBAGLBSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001432387052 928142344 /nfs/dbraw/zinc/14/23/44/928142344.db2.gz VKDWAUAIHPUTKG-ONGXEEELSA-N 1 1 311.386 -1.193 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001432387050 928142507 /nfs/dbraw/zinc/14/25/07/928142507.db2.gz VKDWAUAIHPUTKG-GXSJLCMTSA-N 1 1 311.386 -1.193 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001432404325 928144669 /nfs/dbraw/zinc/14/46/69/928144669.db2.gz MQAKLCWQILBWRV-UHFFFAOYSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CNC(N)=O)C2)C1 ZINC001432455967 928149436 /nfs/dbraw/zinc/14/94/36/928149436.db2.gz XPASWCCPBKVXDP-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(=O)NC ZINC001432690707 928162172 /nfs/dbraw/zinc/16/21/72/928162172.db2.gz GFRSEBAJVAWWKE-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773536 928165269 /nfs/dbraw/zinc/16/52/69/928165269.db2.gz BBXRLAREZDYYTR-DOMZBBRYSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773536 928165275 /nfs/dbraw/zinc/16/52/75/928165275.db2.gz BBXRLAREZDYYTR-DOMZBBRYSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773537 928165457 /nfs/dbraw/zinc/16/54/57/928165457.db2.gz BBXRLAREZDYYTR-IUODEOHRSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773537 928165465 /nfs/dbraw/zinc/16/54/65/928165465.db2.gz BBXRLAREZDYYTR-IUODEOHRSA-N 1 1 311.382 -1.193 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001433235031 928188983 /nfs/dbraw/zinc/18/89/83/928188983.db2.gz USPYFQZNGWHAFN-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001433237983 928190215 /nfs/dbraw/zinc/19/02/15/928190215.db2.gz IYXILSCPYQNONU-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001433260028 928200231 /nfs/dbraw/zinc/20/02/31/928200231.db2.gz GGEGPQUKKAEKHE-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nnc[nH]2)C1 ZINC001433262026 928200458 /nfs/dbraw/zinc/20/04/58/928200458.db2.gz XWPOFFSKSOLDMN-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262026 928200463 /nfs/dbraw/zinc/20/04/63/928200463.db2.gz XWPOFFSKSOLDMN-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262026 928200468 /nfs/dbraw/zinc/20/04/68/928200468.db2.gz XWPOFFSKSOLDMN-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001433260195 928200576 /nfs/dbraw/zinc/20/05/76/928200576.db2.gz RPCSWSLMEGCTAY-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001433260195 928200586 /nfs/dbraw/zinc/20/05/86/928200586.db2.gz RPCSWSLMEGCTAY-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2nnc[nH]2)C1 ZINC001433262022 928201016 /nfs/dbraw/zinc/20/10/16/928201016.db2.gz XWPOFFSKSOLDMN-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262022 928201031 /nfs/dbraw/zinc/20/10/31/928201031.db2.gz XWPOFFSKSOLDMN-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262022 928201042 /nfs/dbraw/zinc/20/10/42/928201042.db2.gz XWPOFFSKSOLDMN-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001433260116 928201638 /nfs/dbraw/zinc/20/16/38/928201638.db2.gz HMJKGFACNLHHQW-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnnn1C ZINC001433275401 928204319 /nfs/dbraw/zinc/20/43/19/928204319.db2.gz DPYJHWHLRQJNAH-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433285369 928208187 /nfs/dbraw/zinc/20/81/87/928208187.db2.gz KOQLUGZLYHYZLK-YPMHNXCESA-N 1 1 323.397 -1.492 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001433288191 928209277 /nfs/dbraw/zinc/20/92/77/928209277.db2.gz FATOPIDCPFJKPH-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001433288196 928209504 /nfs/dbraw/zinc/20/95/04/928209504.db2.gz FATOPIDCPFJKPH-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001433289532 928210197 /nfs/dbraw/zinc/21/01/97/928210197.db2.gz IWVOMNPJOYQIFQ-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001433291230 928210412 /nfs/dbraw/zinc/21/04/12/928210412.db2.gz NXTJKCZVXHYJOB-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001433291230 928210423 /nfs/dbraw/zinc/21/04/23/928210423.db2.gz NXTJKCZVXHYJOB-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)CCC1 ZINC001433294842 928211745 /nfs/dbraw/zinc/21/17/45/928211745.db2.gz CRFYOJWLFWKORU-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001433299240 928212147 /nfs/dbraw/zinc/21/21/47/928212147.db2.gz DJHUWOKQOCBXLC-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433297124 928212430 /nfs/dbraw/zinc/21/24/30/928212430.db2.gz OJJFVEPSOUXFRE-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433313637 928214617 /nfs/dbraw/zinc/21/46/17/928214617.db2.gz CVACMSZHEUOZAB-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001433319934 928216580 /nfs/dbraw/zinc/21/65/80/928216580.db2.gz WGVYMUQJTOCKKJ-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001433319925 928217638 /nfs/dbraw/zinc/21/76/38/928217638.db2.gz WGVYMUQJTOCKKJ-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO CN1CC(C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)=NC1=O ZINC001433339055 928218343 /nfs/dbraw/zinc/21/83/43/928218343.db2.gz QVACVNFDDBDANU-SECBINFHSA-N 1 1 313.358 -1.716 20 0 DAADMO CN1CC(C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)=NC1=O ZINC001433339058 928219425 /nfs/dbraw/zinc/21/94/25/928219425.db2.gz QVACVNFDDBDANU-VIFPVBQESA-N 1 1 313.358 -1.716 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001433431841 928225558 /nfs/dbraw/zinc/22/55/58/928225558.db2.gz PPENCIFEACUACD-SECBINFHSA-N 1 1 310.358 -1.259 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001433477492 928230504 /nfs/dbraw/zinc/23/05/04/928230504.db2.gz TYYQXVSBBIBPET-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001433589799 928242399 /nfs/dbraw/zinc/24/23/99/928242399.db2.gz WNTBKEASHPZJOT-DCAQKATOSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001433589799 928242414 /nfs/dbraw/zinc/24/24/14/928242414.db2.gz WNTBKEASHPZJOT-DCAQKATOSA-N 1 1 312.370 -1.784 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001433669349 928252278 /nfs/dbraw/zinc/25/22/78/928252278.db2.gz AAEMHLLVOXIQJM-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)c1nnn(C)n1 ZINC001433722551 928257405 /nfs/dbraw/zinc/25/74/05/928257405.db2.gz BVWBSRHOHMLSIX-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O)C1CCC1 ZINC001433755659 928260083 /nfs/dbraw/zinc/26/00/83/928260083.db2.gz MWPDPFRWSVXASR-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001433765166 928261780 /nfs/dbraw/zinc/26/17/80/928261780.db2.gz FGGIXDBBWVRMIN-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC001433806094 928267538 /nfs/dbraw/zinc/26/75/38/928267538.db2.gz QBOJVGVZXYNSMZ-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H](CO)NC(N)=O ZINC001433845105 928270993 /nfs/dbraw/zinc/27/09/93/928270993.db2.gz PLSKMNURFFBUNV-LLVKDONJSA-N 1 1 316.402 -1.168 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](O)C(N)=O)cn1 ZINC001433958919 928283826 /nfs/dbraw/zinc/28/38/26/928283826.db2.gz RUVFSWLISLATSW-SRVKXCTJSA-N 1 1 309.370 -1.582 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](O)C(N)=O)cn1 ZINC001433958918 928284119 /nfs/dbraw/zinc/28/41/19/928284119.db2.gz RUVFSWLISLATSW-SDDRHHMPSA-N 1 1 309.370 -1.582 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001433946854 928284756 /nfs/dbraw/zinc/28/47/56/928284756.db2.gz MYQAPIBPGBMYMC-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](O)C(N)=O)cn1 ZINC001433958921 928285319 /nfs/dbraw/zinc/28/53/19/928285319.db2.gz RUVFSWLISLATSW-TUAOUCFPSA-N 1 1 309.370 -1.582 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1=O ZINC001434008686 928293480 /nfs/dbraw/zinc/29/34/80/928293480.db2.gz DTTFQBATCXFVKG-QWRGUYRKSA-N 1 1 310.329 -1.198 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1=O ZINC001434008686 928293492 /nfs/dbraw/zinc/29/34/92/928293492.db2.gz DTTFQBATCXFVKG-QWRGUYRKSA-N 1 1 310.329 -1.198 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001434014343 928294561 /nfs/dbraw/zinc/29/45/61/928294561.db2.gz ZKTZQXYGRJYBNB-UHFFFAOYSA-N 1 1 318.443 -1.416 20 0 DAADMO C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)N1CC[NH+](C)CC1 ZINC001434071060 928299661 /nfs/dbraw/zinc/29/96/61/928299661.db2.gz JAUUQZWJUAKFQW-NSHDSACASA-N 1 1 311.386 -2.222 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CCC(=O)NC1=O ZINC001434100926 928304561 /nfs/dbraw/zinc/30/45/61/928304561.db2.gz KFNBAIBJALXPCD-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001434236630 928317857 /nfs/dbraw/zinc/31/78/57/928317857.db2.gz FHMRLIQRIIRLHW-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@@H](CO)C1 ZINC001434230792 928318572 /nfs/dbraw/zinc/31/85/72/928318572.db2.gz XSXXXOQIFXWIPN-GHMZBOCLSA-N 1 1 320.415 -1.963 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@@H](CO)C1 ZINC001434230792 928318583 /nfs/dbraw/zinc/31/85/83/928318583.db2.gz XSXXXOQIFXWIPN-GHMZBOCLSA-N 1 1 320.415 -1.963 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001434248877 928322151 /nfs/dbraw/zinc/32/21/51/928322151.db2.gz RENGFSQBTMZOIN-RUMNANIHSA-N 1 1 315.370 -1.376 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001434248877 928322163 /nfs/dbraw/zinc/32/21/63/928322163.db2.gz RENGFSQBTMZOIN-RUMNANIHSA-N 1 1 315.370 -1.376 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)CC2 ZINC001434250277 928323043 /nfs/dbraw/zinc/32/30/43/928323043.db2.gz BMUHTBWXWJZEHM-VIFPVBQESA-N 1 1 313.383 -1.242 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001434248880 928323350 /nfs/dbraw/zinc/32/33/50/928323350.db2.gz RENGFSQBTMZOIN-RZGXBDKHSA-N 1 1 315.370 -1.376 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001434248880 928323363 /nfs/dbraw/zinc/32/33/63/928323363.db2.gz RENGFSQBTMZOIN-RZGXBDKHSA-N 1 1 315.370 -1.376 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001434288868 928324719 /nfs/dbraw/zinc/32/47/19/928324719.db2.gz VJEKQUJHWKUXMP-NSHDSACASA-N 1 1 307.372 -2.655 20 0 DAADMO COC(=O)N[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)C(C)C ZINC001434282786 928324911 /nfs/dbraw/zinc/32/49/11/928324911.db2.gz JAYWDQZJWNDJAA-GXFFZTMASA-N 1 1 303.359 -1.166 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc2n[nH]c(=O)n2c1 ZINC001434287758 928325162 /nfs/dbraw/zinc/32/51/62/928325162.db2.gz OIUKIPYSIUHONK-ZDUSSCGKSA-N 1 1 307.310 -1.484 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001434310671 928327946 /nfs/dbraw/zinc/32/79/46/928327946.db2.gz PWMBLVNCUBCXJM-BFVZDQMLSA-N 1 1 316.354 -1.138 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001434310671 928327960 /nfs/dbraw/zinc/32/79/60/928327960.db2.gz PWMBLVNCUBCXJM-BFVZDQMLSA-N 1 1 316.354 -1.138 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001434322882 928331147 /nfs/dbraw/zinc/33/11/47/928331147.db2.gz KQKHACKSNNZIJU-SNVBAGLBSA-N 1 1 308.379 -1.232 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001434322879 928332151 /nfs/dbraw/zinc/33/21/51/928332151.db2.gz KQKHACKSNNZIJU-JTQLQIEISA-N 1 1 308.379 -1.232 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001434411359 928348799 /nfs/dbraw/zinc/34/87/99/928348799.db2.gz SXQMALZYKYUEEM-OUAUKWLOSA-N 1 1 300.359 -1.927 20 0 DAADMO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001434606064 928371896 /nfs/dbraw/zinc/37/18/96/928371896.db2.gz CNBMGFOLZGEAAX-RKDXNWHRSA-N 1 1 300.402 -1.985 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001434411320 928349530 /nfs/dbraw/zinc/34/95/30/928349530.db2.gz SXQMALZYKYUEEM-GMTAPVOTSA-N 1 1 300.359 -1.927 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001434424367 928352238 /nfs/dbraw/zinc/35/22/38/928352238.db2.gz MEYJMYRKHVWUTB-UHFFFAOYSA-N 1 1 319.365 -1.387 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)nn1 ZINC001434504589 928359482 /nfs/dbraw/zinc/35/94/82/928359482.db2.gz MHBXUABENSAGEW-LLVKDONJSA-N 1 1 311.342 -1.225 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2COC[C@H]2OC)CC1 ZINC001434762440 928377499 /nfs/dbraw/zinc/37/74/99/928377499.db2.gz XIYJGMUSNOGPCI-NWDGAFQWSA-N 1 1 314.386 -1.090 20 0 DAADMO NC(=O)C1=NO[C@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC001434774037 928379823 /nfs/dbraw/zinc/37/98/23/928379823.db2.gz SRWLTIQXLVDAFS-VIFPVBQESA-N 1 1 315.399 -1.035 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001434846775 928389252 /nfs/dbraw/zinc/38/92/52/928389252.db2.gz MPBTYWAGRHAQIG-MNOVXSKESA-N 1 1 323.397 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001436329402 928394423 /nfs/dbraw/zinc/39/44/23/928394423.db2.gz LDGWRQNUJYKEJF-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001436329402 928394429 /nfs/dbraw/zinc/39/44/29/928394429.db2.gz LDGWRQNUJYKEJF-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001436376314 928396319 /nfs/dbraw/zinc/39/63/19/928396319.db2.gz VAJKHLDOMYFQLW-HOMQSWHASA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H]1C ZINC001436482530 928398059 /nfs/dbraw/zinc/39/80/59/928398059.db2.gz YVOPOVFMAAFOAE-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H]1C ZINC001436482530 928398072 /nfs/dbraw/zinc/39/80/72/928398072.db2.gz YVOPOVFMAAFOAE-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001436450720 928398572 /nfs/dbraw/zinc/39/85/72/928398572.db2.gz LDLFJSWUHWKWEH-NEPJUHHUSA-N 1 1 315.370 -1.238 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001436450724 928398934 /nfs/dbraw/zinc/39/89/34/928398934.db2.gz LDLFJSWUHWKWEH-RYUDHWBXSA-N 1 1 315.370 -1.238 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001436493024 928400367 /nfs/dbraw/zinc/40/03/67/928400367.db2.gz NLTVKWRGXSXZRT-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001436493024 928400376 /nfs/dbraw/zinc/40/03/76/928400376.db2.gz NLTVKWRGXSXZRT-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001436690648 928403601 /nfs/dbraw/zinc/40/36/01/928403601.db2.gz SEMGFHFCQKEFSJ-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001436690648 928403610 /nfs/dbraw/zinc/40/36/10/928403610.db2.gz SEMGFHFCQKEFSJ-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCCO ZINC001436517490 928404015 /nfs/dbraw/zinc/40/40/15/928404015.db2.gz ZYDQSMMGXBMRDZ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001436722940 928407918 /nfs/dbraw/zinc/40/79/18/928407918.db2.gz NSCSKAYCOXTLQI-WCBMZHEXSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001436722940 928407924 /nfs/dbraw/zinc/40/79/24/928407924.db2.gz NSCSKAYCOXTLQI-WCBMZHEXSA-N 1 1 309.326 -1.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001436735211 928410940 /nfs/dbraw/zinc/41/09/40/928410940.db2.gz IFKYXWCGHWFXRN-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001436735203 928411440 /nfs/dbraw/zinc/41/14/40/928411440.db2.gz IFKYXWCGHWFXRN-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001436805007 928411871 /nfs/dbraw/zinc/41/18/71/928411871.db2.gz ALFDSUAZHHIGAX-ZJUUUORDSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001436770038 928412162 /nfs/dbraw/zinc/41/21/62/928412162.db2.gz QRMWCDLPQPCFIL-QWRGUYRKSA-N 1 1 310.358 -1.390 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001436848929 928414188 /nfs/dbraw/zinc/41/41/88/928414188.db2.gz ZCSMJYYLIVMSSG-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001436937633 928418056 /nfs/dbraw/zinc/41/80/56/928418056.db2.gz IKXYVGAJQFDDIP-AOOOYVTPSA-N 1 1 307.358 -1.119 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001436929731 928418606 /nfs/dbraw/zinc/41/86/06/928418606.db2.gz MUQWGSRCZRBHPY-ZKCHVHJHSA-N 1 1 303.344 -1.644 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001436988762 928420190 /nfs/dbraw/zinc/42/01/90/928420190.db2.gz WPVGBINALHJCEV-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001436984491 928420274 /nfs/dbraw/zinc/42/02/74/928420274.db2.gz JLRXGBKEJKVRDK-NSHDSACASA-N 1 1 324.385 -1.427 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001436984491 928420276 /nfs/dbraw/zinc/42/02/76/928420276.db2.gz JLRXGBKEJKVRDK-NSHDSACASA-N 1 1 324.385 -1.427 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001436990664 928420338 /nfs/dbraw/zinc/42/03/38/928420338.db2.gz ZXZHTDCFBOGQMX-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1)C(N)=O ZINC001436972595 928420673 /nfs/dbraw/zinc/42/06/73/928420673.db2.gz SUXOKQZPFJTOAN-TUAOUCFPSA-N 1 1 323.353 -1.209 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001436999192 928421914 /nfs/dbraw/zinc/42/19/14/928421914.db2.gz FNQKNUHJUZJRIX-NSHDSACASA-N 1 1 307.416 -1.124 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001436969575 928422075 /nfs/dbraw/zinc/42/20/75/928422075.db2.gz ICSXRGNOLFDYIE-AXFHLTTASA-N 1 1 305.342 -1.087 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)c1nc[nH]n1 ZINC001436969575 928422084 /nfs/dbraw/zinc/42/20/84/928422084.db2.gz ICSXRGNOLFDYIE-AXFHLTTASA-N 1 1 305.342 -1.087 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)COC ZINC001437032107 928423677 /nfs/dbraw/zinc/42/36/77/928423677.db2.gz HWKRDPBAOQOYFC-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001437069491 928423770 /nfs/dbraw/zinc/42/37/70/928423770.db2.gz UFRRWJZRXYVSQW-ZIQFBCGOSA-N 1 1 323.397 -1.371 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001437001438 928423845 /nfs/dbraw/zinc/42/38/45/928423845.db2.gz QZPOIZRLAJJMGC-WDEREUQCSA-N 1 1 322.431 -1.751 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)NC(N)=O ZINC001437068243 928423868 /nfs/dbraw/zinc/42/38/68/928423868.db2.gz PDRSTSNRLUVSQJ-RWHSBRQSSA-N 1 1 309.370 -1.632 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001437001429 928424088 /nfs/dbraw/zinc/42/40/88/928424088.db2.gz QZPOIZRLAJJMGC-MNOVXSKESA-N 1 1 322.431 -1.751 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065658 928424571 /nfs/dbraw/zinc/42/45/71/928424571.db2.gz JGZYGYKNXOPVPL-XXFSISAASA-N 1 1 312.370 -1.101 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065658 928424582 /nfs/dbraw/zinc/42/45/82/928424582.db2.gz JGZYGYKNXOPVPL-XXFSISAASA-N 1 1 312.370 -1.101 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001437026631 928424796 /nfs/dbraw/zinc/42/47/96/928424796.db2.gz SJFMHWXZDHONHV-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001437075784 928424898 /nfs/dbraw/zinc/42/48/98/928424898.db2.gz NARKHEHVSGRIKX-NLDQXQBJSA-N 1 1 322.365 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001437075784 928424905 /nfs/dbraw/zinc/42/49/05/928424905.db2.gz NARKHEHVSGRIKX-NLDQXQBJSA-N 1 1 322.365 -1.347 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001437157568 928429960 /nfs/dbraw/zinc/42/99/60/928429960.db2.gz RMFGSOXRTCFANG-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437165799 928432642 /nfs/dbraw/zinc/43/26/42/928432642.db2.gz QSMWGZJOFYSXPV-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437165802 928432750 /nfs/dbraw/zinc/43/27/50/928432750.db2.gz QSMWGZJOFYSXPV-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC(N)=O ZINC001437165987 928433328 /nfs/dbraw/zinc/43/33/28/928433328.db2.gz KMKIVQNORXXBOP-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nncn1C ZINC001437255905 928437839 /nfs/dbraw/zinc/43/78/39/928437839.db2.gz ARNAFCDMWNUTBK-IUCAKERBSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nncn1C ZINC001437255904 928438604 /nfs/dbraw/zinc/43/86/04/928438604.db2.gz ARNAFCDMWNUTBK-DTWKUNHWSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnns1 ZINC001437262204 928440198 /nfs/dbraw/zinc/44/01/98/928440198.db2.gz YDPZGCAYMWCGGR-IONNQARKSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cnn(C)n1 ZINC001437273095 928441060 /nfs/dbraw/zinc/44/10/60/928441060.db2.gz PYNXRBMQRNFZBS-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001437311581 928445665 /nfs/dbraw/zinc/44/56/65/928445665.db2.gz PXPXNQXIUOFCAH-VIFPVBQESA-N 1 1 310.362 -1.923 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001437355814 928446087 /nfs/dbraw/zinc/44/60/87/928446087.db2.gz XUVLLDRBMBCPRC-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001437355814 928446099 /nfs/dbraw/zinc/44/60/99/928446099.db2.gz XUVLLDRBMBCPRC-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2ccn[nH]2)n(C)c1=O ZINC001437438005 928451840 /nfs/dbraw/zinc/45/18/40/928451840.db2.gz FZYAWBJULAKCDQ-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2ccn[nH]2)n(C)c1=O ZINC001437438005 928451849 /nfs/dbraw/zinc/45/18/49/928451849.db2.gz FZYAWBJULAKCDQ-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001437453701 928452511 /nfs/dbraw/zinc/45/25/11/928452511.db2.gz UQXKRPLFJKCSRA-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437432608 928452668 /nfs/dbraw/zinc/45/26/68/928452668.db2.gz QUMSIPAMYDMYFZ-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437432608 928452673 /nfs/dbraw/zinc/45/26/73/928452673.db2.gz QUMSIPAMYDMYFZ-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437461973 928452861 /nfs/dbraw/zinc/45/28/61/928452861.db2.gz FMCLIHYFWWQKOY-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1nnnn1C1CC1 ZINC001437454851 928453128 /nfs/dbraw/zinc/45/31/28/928453128.db2.gz ZZYUFRLKHKLKSR-LBPRGKRZSA-N 1 1 323.401 -1.113 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1nnnn1C1CC1 ZINC001437454851 928453138 /nfs/dbraw/zinc/45/31/38/928453138.db2.gz ZZYUFRLKHKLKSR-LBPRGKRZSA-N 1 1 323.401 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464505 928454548 /nfs/dbraw/zinc/45/45/48/928454548.db2.gz SUOMDXBKAYZFBZ-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464505 928454557 /nfs/dbraw/zinc/45/45/57/928454557.db2.gz SUOMDXBKAYZFBZ-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001437486589 928455371 /nfs/dbraw/zinc/45/53/71/928455371.db2.gz WQVLPOMJOKYPFB-BDAKNGLRSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001437486589 928455376 /nfs/dbraw/zinc/45/53/76/928455376.db2.gz WQVLPOMJOKYPFB-BDAKNGLRSA-N 1 1 310.358 -1.532 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001437476613 928455790 /nfs/dbraw/zinc/45/57/90/928455790.db2.gz AJSVEPPNWUZDQS-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001437476613 928455795 /nfs/dbraw/zinc/45/57/95/928455795.db2.gz AJSVEPPNWUZDQS-SECBINFHSA-N 1 1 315.374 -2.579 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001437481370 928455837 /nfs/dbraw/zinc/45/58/37/928455837.db2.gz LKGFEOJKJQKEHJ-QMMMGPOBSA-N 1 1 305.356 -1.031 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001437482055 928455997 /nfs/dbraw/zinc/45/59/97/928455997.db2.gz ODUMEWTVFCAFFQ-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001437482055 928456003 /nfs/dbraw/zinc/45/60/03/928456003.db2.gz ODUMEWTVFCAFFQ-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001437486592 928456124 /nfs/dbraw/zinc/45/61/24/928456124.db2.gz WQVLPOMJOKYPFB-DTWKUNHWSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001437486592 928456133 /nfs/dbraw/zinc/45/61/33/928456133.db2.gz WQVLPOMJOKYPFB-DTWKUNHWSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437473918 928456346 /nfs/dbraw/zinc/45/63/46/928456346.db2.gz ZDDQPKZBAQUEDL-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437473918 928456354 /nfs/dbraw/zinc/45/63/54/928456354.db2.gz ZDDQPKZBAQUEDL-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437501901 928459155 /nfs/dbraw/zinc/45/91/55/928459155.db2.gz BYUKVWTWHBQAKH-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437501901 928459163 /nfs/dbraw/zinc/45/91/63/928459163.db2.gz BYUKVWTWHBQAKH-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001437518662 928459738 /nfs/dbraw/zinc/45/97/38/928459738.db2.gz IVGSUJMHVFWQBL-QMMMGPOBSA-N 1 1 319.387 -1.246 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001437527154 928459800 /nfs/dbraw/zinc/45/98/00/928459800.db2.gz RNNJPUVAZACLRV-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001437527154 928459808 /nfs/dbraw/zinc/45/98/08/928459808.db2.gz RNNJPUVAZACLRV-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)nn1 ZINC001437540308 928462230 /nfs/dbraw/zinc/46/22/30/928462230.db2.gz KHWOZVMYJHQVHN-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)nn1 ZINC001437540308 928462234 /nfs/dbraw/zinc/46/22/34/928462234.db2.gz KHWOZVMYJHQVHN-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001437540311 928462381 /nfs/dbraw/zinc/46/23/81/928462381.db2.gz KHWOZVMYJHQVHN-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001437540311 928462383 /nfs/dbraw/zinc/46/23/83/928462383.db2.gz KHWOZVMYJHQVHN-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001437544215 928462433 /nfs/dbraw/zinc/46/24/33/928462433.db2.gz VYVXIIZLBQKHNY-QMTHXVAHSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001437544215 928462436 /nfs/dbraw/zinc/46/24/36/928462436.db2.gz VYVXIIZLBQKHNY-QMTHXVAHSA-N 1 1 312.370 -1.083 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437566198 928462711 /nfs/dbraw/zinc/46/27/11/928462711.db2.gz SBUHELODWMNALQ-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437566198 928462718 /nfs/dbraw/zinc/46/27/18/928462718.db2.gz SBUHELODWMNALQ-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(=O)NC ZINC001437625176 928464342 /nfs/dbraw/zinc/46/43/42/928464342.db2.gz FRXPBOIMCFYOQD-LLVKDONJSA-N 1 1 323.401 -1.190 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(=O)NC ZINC001437625176 928464351 /nfs/dbraw/zinc/46/43/51/928464351.db2.gz FRXPBOIMCFYOQD-LLVKDONJSA-N 1 1 323.401 -1.190 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001437573857 928464603 /nfs/dbraw/zinc/46/46/03/928464603.db2.gz JEIBMWXXWFZCLH-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001437573857 928464608 /nfs/dbraw/zinc/46/46/08/928464608.db2.gz JEIBMWXXWFZCLH-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c[nH]nc1S(N)(=O)=O)CCOC ZINC001437615903 928464625 /nfs/dbraw/zinc/46/46/25/928464625.db2.gz FWBSACAMSFDNHN-UHFFFAOYSA-N 1 1 319.387 -1.245 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001437625435 928465174 /nfs/dbraw/zinc/46/51/74/928465174.db2.gz FMZJFKYEOBZGBZ-JTQLQIEISA-N 1 1 315.374 -1.466 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001437625435 928465175 /nfs/dbraw/zinc/46/51/75/928465175.db2.gz FMZJFKYEOBZGBZ-JTQLQIEISA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586853 928465210 /nfs/dbraw/zinc/46/52/10/928465210.db2.gz CDKXAHVYYVXRQS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCN(C)C1=O ZINC001437586855 928465433 /nfs/dbraw/zinc/46/54/33/928465433.db2.gz CDKXAHVYYVXRQS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@H]1CCNC1=O ZINC001437618343 928466492 /nfs/dbraw/zinc/46/64/92/928466492.db2.gz HWWRBTXQLJGXLE-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001437644008 928468566 /nfs/dbraw/zinc/46/85/66/928468566.db2.gz YWOMVJZHJRCFJM-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437675805 928468587 /nfs/dbraw/zinc/46/85/87/928468587.db2.gz IWNHKGZGHXLWRN-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437675804 928468663 /nfs/dbraw/zinc/46/86/63/928468663.db2.gz IWNHKGZGHXLWRN-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC001437651441 928468782 /nfs/dbraw/zinc/46/87/82/928468782.db2.gz PUYHQWBPVFMFRS-SECBINFHSA-N 1 1 312.326 -1.350 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1=COCCO1 ZINC001437651441 928468793 /nfs/dbraw/zinc/46/87/93/928468793.db2.gz PUYHQWBPVFMFRS-SECBINFHSA-N 1 1 312.326 -1.350 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001437656417 928469374 /nfs/dbraw/zinc/46/93/74/928469374.db2.gz ATMUAQMTVARCPI-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001437656417 928469382 /nfs/dbraw/zinc/46/93/82/928469382.db2.gz ATMUAQMTVARCPI-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001437665404 928469412 /nfs/dbraw/zinc/46/94/12/928469412.db2.gz ZERQEQWYRUJBCT-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001437656415 928469724 /nfs/dbraw/zinc/46/97/24/928469724.db2.gz ATMUAQMTVARCPI-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001437656415 928469730 /nfs/dbraw/zinc/46/97/30/928469730.db2.gz ATMUAQMTVARCPI-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001437672424 928469744 /nfs/dbraw/zinc/46/97/44/928469744.db2.gz PQWOFEAZBDQGFS-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001437648587 928469764 /nfs/dbraw/zinc/46/97/64/928469764.db2.gz FBAIXHNYFGFOEW-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001437648587 928469770 /nfs/dbraw/zinc/46/97/70/928469770.db2.gz FBAIXHNYFGFOEW-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC001437648340 928469851 /nfs/dbraw/zinc/46/98/51/928469851.db2.gz SDAREMNMRKIUGF-JTQLQIEISA-N 1 1 323.353 -1.574 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001437708060 928471268 /nfs/dbraw/zinc/47/12/68/928471268.db2.gz MNOUGCAPEHIBQG-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001437708060 928471276 /nfs/dbraw/zinc/47/12/76/928471276.db2.gz MNOUGCAPEHIBQG-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707665 928471389 /nfs/dbraw/zinc/47/13/89/928471389.db2.gz LIFBZAUARTWVPE-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001437682359 928472246 /nfs/dbraw/zinc/47/22/46/928472246.db2.gz UJXIBABJPUUSIZ-LLVKDONJSA-N 1 1 319.365 -1.211 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001437682359 928472257 /nfs/dbraw/zinc/47/22/57/928472257.db2.gz UJXIBABJPUUSIZ-LLVKDONJSA-N 1 1 319.365 -1.211 20 0 DAADMO CCOCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001437706630 928472860 /nfs/dbraw/zinc/47/28/60/928472860.db2.gz ZDSPMLULPZPQRR-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001437732597 928474213 /nfs/dbraw/zinc/47/42/13/928474213.db2.gz VXZUAHRKFJCTIB-NSHDSACASA-N 1 1 320.353 -1.679 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCCNC1=O ZINC001437740938 928474410 /nfs/dbraw/zinc/47/44/10/928474410.db2.gz ZCCRMFJOYQBZPA-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCCNC1=O ZINC001437749863 928474599 /nfs/dbraw/zinc/47/45/99/928474599.db2.gz HPJBHVOCFCDQRH-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001437734549 928474663 /nfs/dbraw/zinc/47/46/63/928474663.db2.gz CCIWIGYQJTVUAS-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001437730385 928474725 /nfs/dbraw/zinc/47/47/25/928474725.db2.gz UZIMCUWKINKDOU-GHMZBOCLSA-N 1 1 311.386 -2.270 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001437738859 928475265 /nfs/dbraw/zinc/47/52/65/928475265.db2.gz LBMQGEXUMCBDGR-GFCCVEGCSA-N 1 1 311.386 -1.025 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001437719069 928475387 /nfs/dbraw/zinc/47/53/87/928475387.db2.gz BHVOIYILIWYYKK-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO NC(=O)NC(=O)CN1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437741099 928476193 /nfs/dbraw/zinc/47/61/93/928476193.db2.gz IKTUHJOUGUBQCF-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)CCn3cnnn3)C2)nn1 ZINC001437723814 928476337 /nfs/dbraw/zinc/47/63/37/928476337.db2.gz MFANTZQHOMCFAX-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)CCn3cnnn3)C2)nn1 ZINC001437723814 928476345 /nfs/dbraw/zinc/47/63/45/928476345.db2.gz MFANTZQHOMCFAX-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001437730390 928476475 /nfs/dbraw/zinc/47/64/75/928476475.db2.gz UZIMCUWKINKDOU-QWRGUYRKSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001437730387 928476499 /nfs/dbraw/zinc/47/64/99/928476499.db2.gz UZIMCUWKINKDOU-MNOVXSKESA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@@]1(CC(=O)NC[C@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001437737217 928476655 /nfs/dbraw/zinc/47/66/55/928476655.db2.gz IEDJDQALNBYWGM-YPMHNXCESA-N 1 1 319.427 -1.111 20 0 DAADMO Cn1ccnc1COCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437718047 928476696 /nfs/dbraw/zinc/47/66/96/928476696.db2.gz TUMMECUOOAIMPW-NSHDSACASA-N 1 1 309.370 -1.140 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001437732970 928476743 /nfs/dbraw/zinc/47/67/43/928476743.db2.gz IFJSJXQPTGDNDI-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CN1CCN(CC(=O)NCC[N@H+](CC(N)=O)C2CC2)CC1=O ZINC001437787711 928477900 /nfs/dbraw/zinc/47/79/00/928477900.db2.gz WMZNGMWDMOGRBT-UHFFFAOYSA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC1=O ZINC001437787711 928477910 /nfs/dbraw/zinc/47/79/10/928477910.db2.gz WMZNGMWDMOGRBT-UHFFFAOYSA-N 1 1 311.386 -2.174 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C2CC2)c(=O)n1C ZINC001437817884 928477929 /nfs/dbraw/zinc/47/79/29/928477929.db2.gz UPYFEPKSPQMFQN-VIFPVBQESA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+]([C@@H](C)C(N)=O)C2CC2)c(=O)n1C ZINC001437817884 928477937 /nfs/dbraw/zinc/47/79/37/928477937.db2.gz UPYFEPKSPQMFQN-VIFPVBQESA-N 1 1 324.385 -1.655 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NCC[N@H+](CCO)C1CC1 ZINC001437806011 928478016 /nfs/dbraw/zinc/47/80/16/928478016.db2.gz GOSVNDZOWIFYNS-UHFFFAOYSA-N 1 1 323.397 -1.046 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818832 928478091 /nfs/dbraw/zinc/47/80/91/928478091.db2.gz LNFALJKETOUURT-WPRPVWTQSA-N 1 1 318.399 -1.868 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818832 928478099 /nfs/dbraw/zinc/47/80/99/928478099.db2.gz LNFALJKETOUURT-WPRPVWTQSA-N 1 1 318.399 -1.868 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCCNC1=O ZINC001437759023 928478632 /nfs/dbraw/zinc/47/86/32/928478632.db2.gz KXLSLICLIBNVIE-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCNC1=O ZINC001437759160 928479005 /nfs/dbraw/zinc/47/90/05/928479005.db2.gz LYVQSISRMOGURW-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H]1CCCNC1=O ZINC001437762340 928479146 /nfs/dbraw/zinc/47/91/46/928479146.db2.gz NSJUGOYJRRYIGR-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCNC1=O ZINC001437759155 928479236 /nfs/dbraw/zinc/47/92/36/928479236.db2.gz LYVQSISRMOGURW-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(NCC[N@H+](CCCO)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001437820489 928479549 /nfs/dbraw/zinc/47/95/49/928479549.db2.gz PNWQYWPEWOUOIA-LLVKDONJSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NCC[N@H+](CCCO)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001437820496 928479581 /nfs/dbraw/zinc/47/95/81/928479581.db2.gz PNWQYWPEWOUOIA-NSHDSACASA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001437795867 928479669 /nfs/dbraw/zinc/47/96/69/928479669.db2.gz XBJWHMFBFONODE-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001437795867 928479672 /nfs/dbraw/zinc/47/96/72/928479672.db2.gz XBJWHMFBFONODE-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC[C@H]2CC[N@@H+](CCCO)C2)n1 ZINC001437914267 928483069 /nfs/dbraw/zinc/48/30/69/928483069.db2.gz CLBXYUHEXRNHJR-NSHDSACASA-N 1 1 324.385 -1.412 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001437903209 928483516 /nfs/dbraw/zinc/48/35/16/928483516.db2.gz GQSDKRMHSBOJFG-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437932680 928483591 /nfs/dbraw/zinc/48/35/91/928483591.db2.gz IXPIXFXBXWZKPS-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCn2cnnn2)C1 ZINC001437936382 928483678 /nfs/dbraw/zinc/48/36/78/928483678.db2.gz FIUWYEVIDDGQQU-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001437947510 928483883 /nfs/dbraw/zinc/48/38/83/928483883.db2.gz RCQUIIYFLXAMHU-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437935449 928484528 /nfs/dbraw/zinc/48/45/28/928484528.db2.gz MWFOETZEFYYCED-MNOVXSKESA-N 1 1 324.385 -1.716 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001437950188 928484842 /nfs/dbraw/zinc/48/48/42/928484842.db2.gz VOVGDFAOAUSDSH-ZDUSSCGKSA-N 1 1 312.414 -1.371 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001437944820 928484794 /nfs/dbraw/zinc/48/47/94/928484794.db2.gz NYKMNEJDVQSCCH-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437935453 928484995 /nfs/dbraw/zinc/48/49/95/928484995.db2.gz MWFOETZEFYYCED-QWRGUYRKSA-N 1 1 324.385 -1.716 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001437903207 928485043 /nfs/dbraw/zinc/48/50/43/928485043.db2.gz GQSDKRMHSBOJFG-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001438014910 928486970 /nfs/dbraw/zinc/48/69/70/928486970.db2.gz VLMDHUHSQZQFDA-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)Cn3cncn3)C2)C1=O ZINC001438164261 928503695 /nfs/dbraw/zinc/50/36/95/928503695.db2.gz PLBLZMINHSYUTF-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438197546 928505755 /nfs/dbraw/zinc/50/57/55/928505755.db2.gz DTOWYIRFTOPDDY-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001438197546 928505759 /nfs/dbraw/zinc/50/57/59/928505759.db2.gz DTOWYIRFTOPDDY-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001438193059 928507923 /nfs/dbraw/zinc/50/79/23/928507923.db2.gz BQMHXQHUGVJRKW-VWYCJHECSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001438226479 928509374 /nfs/dbraw/zinc/50/93/74/928509374.db2.gz VGJRYMWUFUAQJT-SNVBAGLBSA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001438226479 928509382 /nfs/dbraw/zinc/50/93/82/928509382.db2.gz VGJRYMWUFUAQJT-SNVBAGLBSA-N 1 1 313.358 -1.808 20 0 DAADMO CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001438247245 928509621 /nfs/dbraw/zinc/50/96/21/928509621.db2.gz PGWNVTFLPZXMMO-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001438234526 928509750 /nfs/dbraw/zinc/50/97/50/928509750.db2.gz WEPJQJHDMGEKED-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001438247232 928509827 /nfs/dbraw/zinc/50/98/27/928509827.db2.gz PGWNVTFLPZXMMO-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001438270444 928510298 /nfs/dbraw/zinc/51/02/98/928510298.db2.gz XGHVIKMVRFVAOT-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438265457 928510908 /nfs/dbraw/zinc/51/09/08/928510908.db2.gz MGUASOVLIWSCKH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438265457 928510922 /nfs/dbraw/zinc/51/09/22/928510922.db2.gz MGUASOVLIWSCKH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438250237 928511326 /nfs/dbraw/zinc/51/13/26/928511326.db2.gz UOODDZDNUSCYPI-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438250237 928511329 /nfs/dbraw/zinc/51/13/29/928511329.db2.gz UOODDZDNUSCYPI-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001438297382 928513222 /nfs/dbraw/zinc/51/32/22/928513222.db2.gz GBZFOBBUGONRJR-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO CC[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001438273274 928514116 /nfs/dbraw/zinc/51/41/16/928514116.db2.gz AMLUBFGLUAKVAB-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271301 928514137 /nfs/dbraw/zinc/51/41/37/928514137.db2.gz ZKRYXHWPDMURLD-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271301 928514140 /nfs/dbraw/zinc/51/41/40/928514140.db2.gz ZKRYXHWPDMURLD-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001438466256 928518447 /nfs/dbraw/zinc/51/84/47/928518447.db2.gz YNUWDJGHZMEOJV-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1nnn(C)n1 ZINC001438485083 928518484 /nfs/dbraw/zinc/51/84/84/928518484.db2.gz QEPFBCZQWZOGIY-QWRGUYRKSA-N 1 1 312.374 -1.143 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001438521635 928520293 /nfs/dbraw/zinc/52/02/93/928520293.db2.gz RQEKOODOFZSDEU-ZANVPECISA-N 1 1 309.374 -1.279 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001438574671 928525500 /nfs/dbraw/zinc/52/55/00/928525500.db2.gz VXEWKQFZRGSKFL-GFCCVEGCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001438574671 928525507 /nfs/dbraw/zinc/52/55/07/928525507.db2.gz VXEWKQFZRGSKFL-GFCCVEGCSA-N 1 1 314.386 -1.536 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC001438573095 928525786 /nfs/dbraw/zinc/52/57/86/928525786.db2.gz YJQOBUJKYJHPJY-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)c1=O ZINC001438571194 928526049 /nfs/dbraw/zinc/52/60/49/928526049.db2.gz ZUPNFYADLVRSJR-NSHDSACASA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)c1=O ZINC001438571194 928526058 /nfs/dbraw/zinc/52/60/58/928526058.db2.gz ZUPNFYADLVRSJR-NSHDSACASA-N 1 1 313.358 -2.219 20 0 DAADMO C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001438646625 928527514 /nfs/dbraw/zinc/52/75/14/928527514.db2.gz VITCNQNAIMTAHB-BDAKNGLRSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001438646654 928529511 /nfs/dbraw/zinc/52/95/11/928529511.db2.gz URKLKACIVSVZIV-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CCn1cnnn1 ZINC001438699476 928530424 /nfs/dbraw/zinc/53/04/24/928530424.db2.gz ILOFYFFGGJMSLJ-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001438682611 928531920 /nfs/dbraw/zinc/53/19/20/928531920.db2.gz ZMJSUOVJVQSOKQ-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001438801182 928533578 /nfs/dbraw/zinc/53/35/78/928533578.db2.gz PQRCJPRXUWMQBZ-GHMZBOCLSA-N 1 1 323.401 -1.081 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001438801189 928534462 /nfs/dbraw/zinc/53/44/62/928534462.db2.gz PQRCJPRXUWMQBZ-QWRGUYRKSA-N 1 1 323.401 -1.081 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001438847700 928536082 /nfs/dbraw/zinc/53/60/82/928536082.db2.gz WHUKBIRIHIGZFG-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001438847700 928536093 /nfs/dbraw/zinc/53/60/93/928536093.db2.gz WHUKBIRIHIGZFG-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001438838220 928537775 /nfs/dbraw/zinc/53/77/75/928537775.db2.gz IDEHQGNPVCQJMZ-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001438838220 928537783 /nfs/dbraw/zinc/53/77/83/928537783.db2.gz IDEHQGNPVCQJMZ-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CCOC1 ZINC001438902078 928539147 /nfs/dbraw/zinc/53/91/47/928539147.db2.gz LAMBSBDLKFLAQO-ZDUSSCGKSA-N 1 1 318.349 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCOC1 ZINC001438902078 928539153 /nfs/dbraw/zinc/53/91/53/928539153.db2.gz LAMBSBDLKFLAQO-ZDUSSCGKSA-N 1 1 318.349 -1.039 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CCS(=O)(=O)NC ZINC001438876018 928540536 /nfs/dbraw/zinc/54/05/36/928540536.db2.gz LASUCXHCIJNUDR-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CCS(=O)(=O)NC ZINC001438876018 928540541 /nfs/dbraw/zinc/54/05/41/928540541.db2.gz LASUCXHCIJNUDR-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438937417 928540623 /nfs/dbraw/zinc/54/06/23/928540623.db2.gz ZXXHBHURTVXKET-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438937417 928540630 /nfs/dbraw/zinc/54/06/30/928540630.db2.gz ZXXHBHURTVXKET-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001438930169 928540748 /nfs/dbraw/zinc/54/07/48/928540748.db2.gz CJPFEFCWLKEEIK-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001438930169 928540762 /nfs/dbraw/zinc/54/07/62/928540762.db2.gz CJPFEFCWLKEEIK-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438937416 928540867 /nfs/dbraw/zinc/54/08/67/928540867.db2.gz ZXXHBHURTVXKET-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438937416 928540875 /nfs/dbraw/zinc/54/08/75/928540875.db2.gz ZXXHBHURTVXKET-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001438876197 928541098 /nfs/dbraw/zinc/54/10/98/928541098.db2.gz YYMFALZLPDIKMV-MRVPVSSYSA-N 1 1 312.334 -2.353 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001438876197 928541108 /nfs/dbraw/zinc/54/11/08/928541108.db2.gz YYMFALZLPDIKMV-MRVPVSSYSA-N 1 1 312.334 -2.353 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1cnccc1=O ZINC001438929283 928541200 /nfs/dbraw/zinc/54/12/00/928541200.db2.gz DZGYOMBFYJBQGQ-LLVKDONJSA-N 1 1 309.370 -1.103 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1cnccc1=O ZINC001438929283 928541212 /nfs/dbraw/zinc/54/12/12/928541212.db2.gz DZGYOMBFYJBQGQ-LLVKDONJSA-N 1 1 309.370 -1.103 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCCC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001438904752 928541631 /nfs/dbraw/zinc/54/16/31/928541631.db2.gz GQXXEHZGNUTCSF-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)Cc1ncc[nH]1 ZINC001438931165 928541857 /nfs/dbraw/zinc/54/18/57/928541857.db2.gz YMZVHEFIBPIIRY-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)Cc1ncc[nH]1 ZINC001438931165 928541866 /nfs/dbraw/zinc/54/18/66/928541866.db2.gz YMZVHEFIBPIIRY-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCNC(N)=O)n1 ZINC001438956812 928543205 /nfs/dbraw/zinc/54/32/05/928543205.db2.gz DXFJHJIPXZYECC-NXEZZACHSA-N 1 1 324.389 -1.357 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001438956823 928544996 /nfs/dbraw/zinc/54/49/96/928544996.db2.gz MOWNRDQAUVDKQY-WDEREUQCSA-N 1 1 312.374 -1.171 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)n1 ZINC001438965642 928546133 /nfs/dbraw/zinc/54/61/33/928546133.db2.gz WSNDTHCCSPSXKD-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cccn1)c1nnnn1C ZINC001438964905 928546178 /nfs/dbraw/zinc/54/61/78/928546178.db2.gz CLRKYVVWMSNSTL-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2ncccn2)C1 ZINC001438968938 928546327 /nfs/dbraw/zinc/54/63/27/928546327.db2.gz KZIVDHGZWFFHIA-NWDGAFQWSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2ncccn2)C1 ZINC001438968938 928546331 /nfs/dbraw/zinc/54/63/31/928546331.db2.gz KZIVDHGZWFFHIA-NWDGAFQWSA-N 1 1 309.370 -1.626 20 0 DAADMO Cc1ncsc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001438964797 928546666 /nfs/dbraw/zinc/54/66/66/928546666.db2.gz AOKIQRIMRMMJRQ-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2ncccn2)C1 ZINC001438968950 928546705 /nfs/dbraw/zinc/54/67/05/928546705.db2.gz KZIVDHGZWFFHIA-RYUDHWBXSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2ncccn2)C1 ZINC001438968950 928546720 /nfs/dbraw/zinc/54/67/20/928546720.db2.gz KZIVDHGZWFFHIA-RYUDHWBXSA-N 1 1 309.370 -1.626 20 0 DAADMO Cc1ncsc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001438964839 928548150 /nfs/dbraw/zinc/54/81/50/928548150.db2.gz AOKIQRIMRMMJRQ-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001438973023 928549143 /nfs/dbraw/zinc/54/91/43/928549143.db2.gz KENXHQZOOYWQBI-SNVBAGLBSA-N 1 1 308.346 -1.313 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001438970889 928549770 /nfs/dbraw/zinc/54/97/70/928549770.db2.gz HEHJCAIKBLCVIL-KCJUWKMLSA-N 1 1 312.374 -1.281 20 0 DAADMO COc1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)on1 ZINC001438974517 928550794 /nfs/dbraw/zinc/55/07/94/928550794.db2.gz YBIHFJHOFYKMEV-MRVPVSSYSA-N 1 1 321.355 -1.706 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+][C@H](C)c2nncn2C)o1 ZINC001438977159 928552374 /nfs/dbraw/zinc/55/23/74/928552374.db2.gz CEDHLQLHQRTSRE-PSASIEDQSA-N 1 1 323.357 -1.123 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)nc1 ZINC001438977563 928552688 /nfs/dbraw/zinc/55/26/88/928552688.db2.gz AIOVFLDZPYBZFU-JTQLQIEISA-N 1 1 319.369 -1.019 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001438975467 928553102 /nfs/dbraw/zinc/55/31/02/928553102.db2.gz AGSPLDUXTBGFGS-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nncn2C)o1 ZINC001438978128 928553449 /nfs/dbraw/zinc/55/34/49/928553449.db2.gz CEDHLQLHQRTSRE-WPRPVWTQSA-N 1 1 323.357 -1.123 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)nn1 ZINC001438974972 928553923 /nfs/dbraw/zinc/55/39/23/928553923.db2.gz NLLCGZCDVQKYRE-LLVKDONJSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001438975469 928554024 /nfs/dbraw/zinc/55/40/24/928554024.db2.gz AGSPLDUXTBGFGS-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438980139 928554217 /nfs/dbraw/zinc/55/42/17/928554217.db2.gz GVBADMTUPSKQQB-QMMMGPOBSA-N 1 1 316.387 -1.576 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438980134 928554261 /nfs/dbraw/zinc/55/42/61/928554261.db2.gz GVBADMTUPSKQQB-MRVPVSSYSA-N 1 1 316.387 -1.576 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nncn2C)o1 ZINC001438977171 928554734 /nfs/dbraw/zinc/55/47/34/928554734.db2.gz CEDHLQLHQRTSRE-SCZZXKLOSA-N 1 1 323.357 -1.123 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001438983915 928555986 /nfs/dbraw/zinc/55/59/86/928555986.db2.gz UWZNJDGVJVUAFV-JTQLQIEISA-N 1 1 311.346 -2.745 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2CC)nn1 ZINC001438983383 928556247 /nfs/dbraw/zinc/55/62/47/928556247.db2.gz MHMLMSZQDOEIPP-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)nc1 ZINC001438985297 928556262 /nfs/dbraw/zinc/55/62/62/928556262.db2.gz SKQCPCAENZYICN-CYBMUJFWSA-N 1 1 323.397 -1.316 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)on1 ZINC001438984746 928556368 /nfs/dbraw/zinc/55/63/68/928556368.db2.gz QQNAACBGFXJRNN-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)nc1 ZINC001438985299 928558307 /nfs/dbraw/zinc/55/83/07/928558307.db2.gz SKQCPCAENZYICN-ZDUSSCGKSA-N 1 1 323.397 -1.316 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001438988076 928558712 /nfs/dbraw/zinc/55/87/12/928558712.db2.gz YAVIPGZVIZNQKF-NSHDSACASA-N 1 1 324.385 -1.329 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001438987567 928559343 /nfs/dbraw/zinc/55/93/43/928559343.db2.gz XDZOMUKNRZAHSP-SECBINFHSA-N 1 1 313.362 -2.299 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cncnc1 ZINC001438987929 928559534 /nfs/dbraw/zinc/55/95/34/928559534.db2.gz ZUHRPVGRPKNOOS-LLVKDONJSA-N 1 1 323.332 -1.082 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001438988139 928559788 /nfs/dbraw/zinc/55/97/88/928559788.db2.gz ZYTBRAMPLNXORL-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001438987260 928559842 /nfs/dbraw/zinc/55/98/42/928559842.db2.gz VTHOBYPITDXLLD-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccncn1 ZINC001438990938 928560708 /nfs/dbraw/zinc/56/07/08/928560708.db2.gz OGBINACXXOKIQU-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001438989452 928562414 /nfs/dbraw/zinc/56/24/14/928562414.db2.gz AUARPJUJKMDTMX-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)c1cnn[nH]1 ZINC001438993965 928563443 /nfs/dbraw/zinc/56/34/43/928563443.db2.gz AGJKWMVDLOXLCA-MNOVXSKESA-N 1 1 322.369 -1.362 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001438993535 928563527 /nfs/dbraw/zinc/56/35/27/928563527.db2.gz BFBMJNMRBVSBAE-WDEREUQCSA-N 1 1 311.390 -1.739 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c(C)n1 ZINC001438993308 928563681 /nfs/dbraw/zinc/56/36/81/928563681.db2.gz LRYFXRVLYOEOCW-SNVBAGLBSA-N 1 1 312.374 -1.799 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001438993533 928563752 /nfs/dbraw/zinc/56/37/52/928563752.db2.gz BFBMJNMRBVSBAE-QWRGUYRKSA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001438995324 928563803 /nfs/dbraw/zinc/56/38/03/928563803.db2.gz UVEAMFPAGXVNCY-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)co1 ZINC001438995780 928564330 /nfs/dbraw/zinc/56/43/30/928564330.db2.gz UYOXJMGIUFWRJT-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001438992785 928565157 /nfs/dbraw/zinc/56/51/57/928565157.db2.gz OWCNDYOGGGRGJB-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCCN(C)C2=O)n[nH]1 ZINC001438996598 928566286 /nfs/dbraw/zinc/56/62/86/928566286.db2.gz PSDKGMTYGHZDMK-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2ccnn2C)n1 ZINC001438998749 928566328 /nfs/dbraw/zinc/56/63/28/928566328.db2.gz QKAAOMRDTAJAMV-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001439001028 928566592 /nfs/dbraw/zinc/56/65/92/928566592.db2.gz LQVZEZSYHPWUFI-VHSXEESVSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCCC2=O)[nH]1 ZINC001438999781 928566697 /nfs/dbraw/zinc/56/66/97/928566697.db2.gz JRGVEJKBAZLXSH-NSHDSACASA-N 1 1 324.385 -1.308 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001439000424 928566793 /nfs/dbraw/zinc/56/67/93/928566793.db2.gz IKHDUYIZCCWZQP-LLVKDONJSA-N 1 1 323.353 -2.098 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001439000431 928567560 /nfs/dbraw/zinc/56/75/60/928567560.db2.gz IKHDUYIZCCWZQP-NSHDSACASA-N 1 1 323.353 -2.098 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001439002449 928568266 /nfs/dbraw/zinc/56/82/66/928568266.db2.gz WYNLGFDCSOGFOM-MNOVXSKESA-N 1 1 307.354 -1.478 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001439006359 928568571 /nfs/dbraw/zinc/56/85/71/928568571.db2.gz ZLSBBNFARQQSPE-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCCC1=O ZINC001439003365 928569079 /nfs/dbraw/zinc/56/90/79/928569079.db2.gz RGQDFXKYSPQDLT-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCCC1=O ZINC001439003359 928570370 /nfs/dbraw/zinc/57/03/70/928570370.db2.gz RGQDFXKYSPQDLT-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)CC1=O ZINC001439001386 928570401 /nfs/dbraw/zinc/57/04/01/928570401.db2.gz VSIPNYYGBGUKSF-UWVGGRQHSA-N 1 1 310.358 -2.140 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001439009598 928571312 /nfs/dbraw/zinc/57/13/12/928571312.db2.gz DXQSHRAVBUWSEZ-KOLCDFICSA-N 1 1 311.342 -1.434 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCS(=O)(=O)C1 ZINC001439007388 928571965 /nfs/dbraw/zinc/57/19/65/928571965.db2.gz CMNFWMSIRDXMHS-KOLCDFICSA-N 1 1 317.367 -1.324 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001439011981 928574904 /nfs/dbraw/zinc/57/49/04/928574904.db2.gz IJUXVCSFHKGLHF-VIFPVBQESA-N 1 1 307.310 -1.053 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2cncnc2)n1 ZINC001439013259 928575647 /nfs/dbraw/zinc/57/56/47/928575647.db2.gz VOPYWQDKYJBMEV-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)[nH]1 ZINC001439014083 928576438 /nfs/dbraw/zinc/57/64/38/928576438.db2.gz PGBMSALQSKCCNV-IUCAKERBSA-N 1 1 311.346 -2.297 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)n1 ZINC001439019388 928576920 /nfs/dbraw/zinc/57/69/20/928576920.db2.gz XCPWIQLCUCOTPV-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)[nH]1 ZINC001439014073 928577809 /nfs/dbraw/zinc/57/78/09/928577809.db2.gz PGBMSALQSKCCNV-BDAKNGLRSA-N 1 1 311.346 -2.297 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nc1 ZINC001439013940 928578237 /nfs/dbraw/zinc/57/82/37/928578237.db2.gz OVSRCZMMTAHXGH-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(F)CCOC2)[nH]1 ZINC001439016793 928578274 /nfs/dbraw/zinc/57/82/74/928578274.db2.gz QMNZHWNFTSSODV-CABZTGNLSA-N 1 1 301.322 -1.192 20 0 DAADMO CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001439024481 928580757 /nfs/dbraw/zinc/58/07/57/928580757.db2.gz CHUPMXDQBKAUTC-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001439028483 928581963 /nfs/dbraw/zinc/58/19/63/928581963.db2.gz ZQEVVKGTDLAXSD-LADJIXMOSA-N 1 1 310.358 -1.770 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001439026233 928583471 /nfs/dbraw/zinc/58/34/71/928583471.db2.gz JRPJMXYDEOCHCS-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1nocc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001439026565 928583860 /nfs/dbraw/zinc/58/38/60/928583860.db2.gz OPDYJLRQWWCAOT-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001439030345 928583961 /nfs/dbraw/zinc/58/39/61/928583961.db2.gz FSCAYYGQBWYVPK-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001439030329 928584052 /nfs/dbraw/zinc/58/40/52/928584052.db2.gz FSCAYYGQBWYVPK-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ncccn1 ZINC001439034869 928585152 /nfs/dbraw/zinc/58/51/52/928585152.db2.gz ADIWGKZCXATETD-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001439037260 928585220 /nfs/dbraw/zinc/58/52/20/928585220.db2.gz YKXDBDWSDHFFOH-WDEREUQCSA-N 1 1 307.354 -1.288 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nonc2C)nn1 ZINC001439035449 928585454 /nfs/dbraw/zinc/58/54/54/928585454.db2.gz OYZARXJNXWKCAE-NSHDSACASA-N 1 1 323.357 -1.201 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001439032240 928586248 /nfs/dbraw/zinc/58/62/48/928586248.db2.gz IHKWRXWORGTBQX-ZJUUUORDSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001439038727 928587497 /nfs/dbraw/zinc/58/74/97/928587497.db2.gz LEADGFZPMPKUIS-NSHDSACASA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001439040615 928588048 /nfs/dbraw/zinc/58/80/48/928588048.db2.gz OHWLEIBTHIXHDW-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001439042539 928588246 /nfs/dbraw/zinc/58/82/46/928588246.db2.gz SZYNMDCVUNHETO-VIFPVBQESA-N 1 1 324.341 -1.170 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439042307 928589136 /nfs/dbraw/zinc/58/91/36/928589136.db2.gz QAKUTGLLNJXMFX-UWVGGRQHSA-N 1 1 312.374 -1.260 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439042307 928589139 /nfs/dbraw/zinc/58/91/39/928589139.db2.gz QAKUTGLLNJXMFX-UWVGGRQHSA-N 1 1 312.374 -1.260 20 0 DAADMO CCn1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001439040888 928589661 /nfs/dbraw/zinc/58/96/61/928589661.db2.gz FMFOXAIRIMIPIQ-DGCLKSJQSA-N 1 1 310.402 -1.184 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439040498 928589722 /nfs/dbraw/zinc/58/97/22/928589722.db2.gz BHCGCLZWJCGKPJ-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001439044489 928590315 /nfs/dbraw/zinc/59/03/15/928590315.db2.gz UNKLSZVCMPTRJI-NXEZZACHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001439044489 928590326 /nfs/dbraw/zinc/59/03/26/928590326.db2.gz UNKLSZVCMPTRJI-NXEZZACHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1cnnn1C)[NH+](C)C ZINC001439044347 928590919 /nfs/dbraw/zinc/59/09/19/928590919.db2.gz MJWRAZZBGHZPTA-CHWSQXEVSA-N 1 1 312.418 -1.032 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001439045692 928591356 /nfs/dbraw/zinc/59/13/56/928591356.db2.gz OCTZISMKHAASMG-NSHDSACASA-N 1 1 307.310 -1.502 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ncccn2)n1 ZINC001439045191 928591930 /nfs/dbraw/zinc/59/19/30/928591930.db2.gz UWTNKWBUWABGEL-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001439044755 928592290 /nfs/dbraw/zinc/59/22/90/928592290.db2.gz LZECPOHECOORIM-NSHDSACASA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1)c1nncn1C ZINC001439050189 928593266 /nfs/dbraw/zinc/59/32/66/928593266.db2.gz ZEUXBBPZYDZECP-UWVGGRQHSA-N 1 1 307.358 -1.010 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1)c1nncn1C ZINC001439050541 928593971 /nfs/dbraw/zinc/59/39/71/928593971.db2.gz ZEUXBBPZYDZECP-VHSXEESVSA-N 1 1 307.358 -1.010 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCN1CCCC1=O ZINC001439049888 928594116 /nfs/dbraw/zinc/59/41/16/928594116.db2.gz BBMDDMNVKMXYJK-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001439058414 928594617 /nfs/dbraw/zinc/59/46/17/928594617.db2.gz QYKMIWWZSYBPRR-SECBINFHSA-N 1 1 324.341 -1.704 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cnn[nH]1 ZINC001439125265 928601255 /nfs/dbraw/zinc/60/12/55/928601255.db2.gz QWYCHJMHVQMSDL-ZJUUUORDSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CNC(=O)N1 ZINC001439147807 928601322 /nfs/dbraw/zinc/60/13/22/928601322.db2.gz QDDKCJJSFIBRAQ-BDAKNGLRSA-N 1 1 323.357 -1.916 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001439143435 928601332 /nfs/dbraw/zinc/60/13/32/928601332.db2.gz HZQKBRKTWQFPRG-NOZJJQNGSA-N 1 1 309.374 -1.279 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001439139579 928602708 /nfs/dbraw/zinc/60/27/08/928602708.db2.gz QLUXEUOVMDZPAI-ZJUUUORDSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001439191627 928603797 /nfs/dbraw/zinc/60/37/97/928603797.db2.gz ZIXUIZMRMXMPMJ-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cc1nc[nH]n1 ZINC001439175615 928603988 /nfs/dbraw/zinc/60/39/88/928603988.db2.gz VUBIEBVHIFAQET-SECBINFHSA-N 1 1 320.357 -1.237 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001439181371 928605339 /nfs/dbraw/zinc/60/53/39/928605339.db2.gz CKAXGXAVQKSBQU-VXNVDRBHSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001439213187 928606413 /nfs/dbraw/zinc/60/64/13/928606413.db2.gz KIQCCJYPRPHFIW-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCCCC1=O ZINC001439229409 928607614 /nfs/dbraw/zinc/60/76/14/928607614.db2.gz CCDISJHWOVCVIK-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccnn1C ZINC001439332427 928612566 /nfs/dbraw/zinc/61/25/66/928612566.db2.gz OTWOAPITRAHQQO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccnn1C ZINC001439332427 928612572 /nfs/dbraw/zinc/61/25/72/928612572.db2.gz OTWOAPITRAHQQO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001439317031 928612631 /nfs/dbraw/zinc/61/26/31/928612631.db2.gz LVHVKWUZIBFTBF-BDAKNGLRSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001439317031 928612639 /nfs/dbraw/zinc/61/26/39/928612639.db2.gz LVHVKWUZIBFTBF-BDAKNGLRSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326934 928613181 /nfs/dbraw/zinc/61/31/81/928613181.db2.gz DJZLTRLFOKSJBB-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326934 928613187 /nfs/dbraw/zinc/61/31/87/928613187.db2.gz DJZLTRLFOKSJBB-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001439297547 928613200 /nfs/dbraw/zinc/61/32/00/928613200.db2.gz UNDOCJFOAXIRPV-ONGXEEELSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001439296502 928613303 /nfs/dbraw/zinc/61/33/03/928613303.db2.gz RWOMVFJREYHLBL-IUCAKERBSA-N 1 1 316.387 -1.618 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326936 928613464 /nfs/dbraw/zinc/61/34/64/928613464.db2.gz DJZLTRLFOKSJBB-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326936 928613470 /nfs/dbraw/zinc/61/34/70/928613470.db2.gz DJZLTRLFOKSJBB-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)CC1=O ZINC001439327002 928614017 /nfs/dbraw/zinc/61/40/17/928614017.db2.gz DSKJYPRQKWRBIU-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)CC1=O ZINC001439327002 928614026 /nfs/dbraw/zinc/61/40/26/928614026.db2.gz DSKJYPRQKWRBIU-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001439333797 928614700 /nfs/dbraw/zinc/61/47/00/928614700.db2.gz TVVSBXJYNCLUJZ-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001439352279 928615933 /nfs/dbraw/zinc/61/59/33/928615933.db2.gz HKMPGKGEGFCDDM-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001439352279 928615941 /nfs/dbraw/zinc/61/59/41/928615941.db2.gz HKMPGKGEGFCDDM-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355067 928616640 /nfs/dbraw/zinc/61/66/40/928616640.db2.gz DGWWOGGRURUIFE-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355067 928616645 /nfs/dbraw/zinc/61/66/45/928616645.db2.gz DGWWOGGRURUIFE-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001439357859 928617159 /nfs/dbraw/zinc/61/71/59/928617159.db2.gz IOCXUHPNNBTBNK-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001439357859 928617167 /nfs/dbraw/zinc/61/71/67/928617167.db2.gz IOCXUHPNNBTBNK-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355066 928617404 /nfs/dbraw/zinc/61/74/04/928617404.db2.gz DGWWOGGRURUIFE-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355066 928617409 /nfs/dbraw/zinc/61/74/09/928617409.db2.gz DGWWOGGRURUIFE-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439373413 928617568 /nfs/dbraw/zinc/61/75/68/928617568.db2.gz LVPAWARWJQLIGD-QWRGUYRKSA-N 1 1 322.369 -1.082 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)CCn1cnnn1 ZINC001439378731 928618572 /nfs/dbraw/zinc/61/85/72/928618572.db2.gz CUHXXDVQBGORLZ-NSHDSACASA-N 1 1 307.362 -1.209 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001439384597 928618671 /nfs/dbraw/zinc/61/86/71/928618671.db2.gz AVCKAFNHAAXPTI-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001439384599 928619238 /nfs/dbraw/zinc/61/92/38/928619238.db2.gz AVCKAFNHAAXPTI-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001439387820 928619575 /nfs/dbraw/zinc/61/95/75/928619575.db2.gz OLGODZVNCPFYPV-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001439387820 928619578 /nfs/dbraw/zinc/61/95/78/928619578.db2.gz OLGODZVNCPFYPV-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001439391464 928619604 /nfs/dbraw/zinc/61/96/04/928619604.db2.gz XSKVJBCPPOCINH-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001439391464 928619608 /nfs/dbraw/zinc/61/96/08/928619608.db2.gz XSKVJBCPPOCINH-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ncccn1 ZINC001439383297 928619636 /nfs/dbraw/zinc/61/96/36/928619636.db2.gz MOFITGZHCUENOK-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ncccn1 ZINC001439383297 928619641 /nfs/dbraw/zinc/61/96/41/928619641.db2.gz MOFITGZHCUENOK-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)CC(=O)NC)C1 ZINC001439407680 928619767 /nfs/dbraw/zinc/61/97/67/928619767.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)CC(=O)NC)C1 ZINC001439407680 928619774 /nfs/dbraw/zinc/61/97/74/928619774.db2.gz NYHUZEXEMNVUOQ-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001439443194 928620795 /nfs/dbraw/zinc/62/07/95/928620795.db2.gz WIPRIHPYLSOAND-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001439452294 928621299 /nfs/dbraw/zinc/62/12/99/928621299.db2.gz DLYXPAJIMMRKKM-JTQLQIEISA-N 1 1 309.374 -1.272 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001439479598 928622539 /nfs/dbraw/zinc/62/25/39/928622539.db2.gz VXIABYFQSJEPPO-SECBINFHSA-N 1 1 305.346 -1.065 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001439478161 928623313 /nfs/dbraw/zinc/62/33/13/928623313.db2.gz RQKNQMQHFJGQQJ-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514535 928624160 /nfs/dbraw/zinc/62/41/60/928624160.db2.gz NHLXEDPADGAAPU-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514535 928624172 /nfs/dbraw/zinc/62/41/72/928624172.db2.gz NHLXEDPADGAAPU-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439523061 928626927 /nfs/dbraw/zinc/62/69/27/928626927.db2.gz KBJNBIBICGEUBY-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439541067 928628241 /nfs/dbraw/zinc/62/82/41/928628241.db2.gz VEXVVZIODSEWCO-RYUDHWBXSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001439564243 928630503 /nfs/dbraw/zinc/63/05/03/928630503.db2.gz UCYWHWYQNGBMLX-GHMZBOCLSA-N 1 1 309.374 -1.223 20 0 DAADMO NC(=O)NC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001439605519 928635274 /nfs/dbraw/zinc/63/52/74/928635274.db2.gz SCTPWKJIZZAIAX-NSHDSACASA-N 1 1 323.397 -1.239 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)NC(N)=O ZINC001439821855 928642548 /nfs/dbraw/zinc/64/25/48/928642548.db2.gz SZKYWFXZVFPEMG-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)NC(N)=O ZINC001439821855 928642554 /nfs/dbraw/zinc/64/25/54/928642554.db2.gz SZKYWFXZVFPEMG-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO CC1(NC(=O)Cn2cnnn2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001439790007 928644093 /nfs/dbraw/zinc/64/40/93/928644093.db2.gz SHQKBOCAQHWRGQ-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001439837464 928646427 /nfs/dbraw/zinc/64/64/27/928646427.db2.gz YJYUCEFEKZBMGG-YGRLFVJLSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001439833839 928646524 /nfs/dbraw/zinc/64/65/24/928646524.db2.gz FWURBNTVRPJTIL-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001439844988 928646895 /nfs/dbraw/zinc/64/68/95/928646895.db2.gz AENBRTREPPAHNC-LLVKDONJSA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001439844988 928646898 /nfs/dbraw/zinc/64/68/98/928646898.db2.gz AENBRTREPPAHNC-LLVKDONJSA-N 1 1 310.395 -1.068 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001439870146 928648466 /nfs/dbraw/zinc/64/84/66/928648466.db2.gz QMFLHOYWNJFEMF-CYBMUJFWSA-N 1 1 309.374 -1.326 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860606 928648702 /nfs/dbraw/zinc/64/87/02/928648702.db2.gz ZIKPGXQGBZWESQ-NOZJJQNGSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860606 928648708 /nfs/dbraw/zinc/64/87/08/928648708.db2.gz ZIKPGXQGBZWESQ-NOZJJQNGSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001439860586 928648926 /nfs/dbraw/zinc/64/89/26/928648926.db2.gz ZHLQJWNMMKRAGM-IINYFYTJSA-N 1 1 310.354 -1.090 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973620 928651456 /nfs/dbraw/zinc/65/14/56/928651456.db2.gz AOPQDUAWHYCFHX-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973620 928651464 /nfs/dbraw/zinc/65/14/64/928651464.db2.gz AOPQDUAWHYCFHX-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973621 928652196 /nfs/dbraw/zinc/65/21/96/928652196.db2.gz AOPQDUAWHYCFHX-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973621 928652203 /nfs/dbraw/zinc/65/22/03/928652203.db2.gz AOPQDUAWHYCFHX-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001439970346 928652306 /nfs/dbraw/zinc/65/23/06/928652306.db2.gz DNKMXBNULMQGCU-AMIZOPFISA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001439970346 928652311 /nfs/dbraw/zinc/65/23/11/928652311.db2.gz DNKMXBNULMQGCU-AMIZOPFISA-N 1 1 311.342 -1.653 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccn[nH]1 ZINC001439982415 928653410 /nfs/dbraw/zinc/65/34/10/928653410.db2.gz KYBXDLPJTKZLCX-RISCZKNCSA-N 1 1 307.354 -1.145 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001439979625 928653516 /nfs/dbraw/zinc/65/35/16/928653516.db2.gz HNFYIFUHZLUGGO-RISCZKNCSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439978239 928653537 /nfs/dbraw/zinc/65/35/37/928653537.db2.gz QVQMTOAZLIWGQX-CYBMUJFWSA-N 1 1 309.326 -1.905 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439978239 928653543 /nfs/dbraw/zinc/65/35/43/928653543.db2.gz QVQMTOAZLIWGQX-CYBMUJFWSA-N 1 1 309.326 -1.905 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439978615 928654079 /nfs/dbraw/zinc/65/40/79/928654079.db2.gz LMGQAEVUXPBCNI-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439978615 928654086 /nfs/dbraw/zinc/65/40/86/928654086.db2.gz LMGQAEVUXPBCNI-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439980590 928654130 /nfs/dbraw/zinc/65/41/30/928654130.db2.gz USXRCJAQMJTRIA-AWEZNQCLSA-N 1 1 313.354 -1.436 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439980590 928654139 /nfs/dbraw/zinc/65/41/39/928654139.db2.gz USXRCJAQMJTRIA-AWEZNQCLSA-N 1 1 313.354 -1.436 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439980595 928654305 /nfs/dbraw/zinc/65/43/05/928654305.db2.gz USXRCJAQMJTRIA-CQSZACIVSA-N 1 1 313.354 -1.436 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439980595 928654308 /nfs/dbraw/zinc/65/43/08/928654308.db2.gz USXRCJAQMJTRIA-CQSZACIVSA-N 1 1 313.354 -1.436 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001439981537 928654460 /nfs/dbraw/zinc/65/44/60/928654460.db2.gz JRFYQIPYMIKWHC-SMDDNHRTSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439977849 928654756 /nfs/dbraw/zinc/65/47/56/928654756.db2.gz PHJRTUGMHMRCQB-HZMBPMFUSA-N 1 1 313.354 -1.309 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001439978332 928654844 /nfs/dbraw/zinc/65/48/44/928654844.db2.gz NGIYAAZWBJYFLP-BXUZGUMPSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439983001 928655037 /nfs/dbraw/zinc/65/50/37/928655037.db2.gz SOKZNVUFJKXUFV-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439983001 928655041 /nfs/dbraw/zinc/65/50/41/928655041.db2.gz SOKZNVUFJKXUFV-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001439982346 928655247 /nfs/dbraw/zinc/65/52/47/928655247.db2.gz LRFAOUIZJSIBBS-NOZJJQNGSA-N 1 1 314.342 -2.229 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001439982346 928655254 /nfs/dbraw/zinc/65/52/54/928655254.db2.gz LRFAOUIZJSIBBS-NOZJJQNGSA-N 1 1 314.342 -2.229 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001439986978 928656751 /nfs/dbraw/zinc/65/67/51/928656751.db2.gz FXRMMCXOLFIIPS-ZDUSSCGKSA-N 1 1 303.334 -1.632 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001439986978 928656755 /nfs/dbraw/zinc/65/67/55/928656755.db2.gz FXRMMCXOLFIIPS-ZDUSSCGKSA-N 1 1 303.334 -1.632 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001439985611 928656956 /nfs/dbraw/zinc/65/69/56/928656956.db2.gz RTOILNQUWHJUJU-PRHODGIISA-N 1 1 302.331 -2.231 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001439985611 928656961 /nfs/dbraw/zinc/65/69/61/928656961.db2.gz RTOILNQUWHJUJU-PRHODGIISA-N 1 1 302.331 -2.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2cncs2)C1 ZINC001439983474 928657087 /nfs/dbraw/zinc/65/70/87/928657087.db2.gz QZJMSMVSTUOTFN-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2cncs2)C1 ZINC001439983474 928657092 /nfs/dbraw/zinc/65/70/92/928657092.db2.gz QZJMSMVSTUOTFN-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987248 928657705 /nfs/dbraw/zinc/65/77/05/928657705.db2.gz UTIRCUBULGLXLF-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987248 928657715 /nfs/dbraw/zinc/65/77/15/928657715.db2.gz UTIRCUBULGLXLF-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001439983076 928658282 /nfs/dbraw/zinc/65/82/82/928658282.db2.gz YWDVEAFZXVXROU-NOZJJQNGSA-N 1 1 300.359 -2.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001439983076 928658287 /nfs/dbraw/zinc/65/82/87/928658287.db2.gz YWDVEAFZXVXROU-NOZJJQNGSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992032 928659272 /nfs/dbraw/zinc/65/92/72/928659272.db2.gz WZVYURRYRLHDPL-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992032 928659279 /nfs/dbraw/zinc/65/92/79/928659279.db2.gz WZVYURRYRLHDPL-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439989487 928659314 /nfs/dbraw/zinc/65/93/14/928659314.db2.gz LYRDHHRDTCZBOE-RNCFNFMXSA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439989487 928659323 /nfs/dbraw/zinc/65/93/23/928659323.db2.gz LYRDHHRDTCZBOE-RNCFNFMXSA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992368 928659404 /nfs/dbraw/zinc/65/94/04/928659404.db2.gz LHFYQBONUDWULA-CQSZACIVSA-N 1 1 323.353 -2.307 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992368 928659411 /nfs/dbraw/zinc/65/94/11/928659411.db2.gz LHFYQBONUDWULA-CQSZACIVSA-N 1 1 323.353 -2.307 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001439995190 928659572 /nfs/dbraw/zinc/65/95/72/928659572.db2.gz BTBAYGGOFGOEJH-HZMBPMFUSA-N 1 1 320.353 -1.328 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001439993997 928659718 /nfs/dbraw/zinc/65/97/18/928659718.db2.gz ZGAKBYMZNGUPJX-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001439993997 928659726 /nfs/dbraw/zinc/65/97/26/928659726.db2.gz ZGAKBYMZNGUPJX-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439993516 928660657 /nfs/dbraw/zinc/66/06/57/928660657.db2.gz XRNZPAXFKRPXKB-GFCCVEGCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001439991757 928660960 /nfs/dbraw/zinc/66/09/60/928660960.db2.gz RNLZSGOVFYJRFB-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001439991757 928660964 /nfs/dbraw/zinc/66/09/64/928660964.db2.gz RNLZSGOVFYJRFB-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001439988816 928660971 /nfs/dbraw/zinc/66/09/71/928660971.db2.gz JNTYKASKPPRBEU-ZDUSSCGKSA-N 1 1 301.343 -2.610 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@]12C[C@H]1COC2 ZINC001439989517 928661040 /nfs/dbraw/zinc/66/10/40/928661040.db2.gz NVZSPZVSYWSIEL-QEJZJMRPSA-N 1 1 321.381 -1.132 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001439991813 928661095 /nfs/dbraw/zinc/66/10/95/928661095.db2.gz RWEGIMSIJSZWHG-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001439991813 928661098 /nfs/dbraw/zinc/66/10/98/928661098.db2.gz RWEGIMSIJSZWHG-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)sn1 ZINC001439991220 928661161 /nfs/dbraw/zinc/66/11/61/928661161.db2.gz UERXUWNWEYBDCZ-GFCCVEGCSA-N 1 1 314.367 -1.196 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)sn1 ZINC001439991220 928661163 /nfs/dbraw/zinc/66/11/63/928661163.db2.gz UERXUWNWEYBDCZ-GFCCVEGCSA-N 1 1 314.367 -1.196 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001440006405 928662270 /nfs/dbraw/zinc/66/22/70/928662270.db2.gz HMDUJWRGRMRSGB-LBPRGKRZSA-N 1 1 300.338 -1.024 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cccnn1 ZINC001440004855 928662747 /nfs/dbraw/zinc/66/27/47/928662747.db2.gz DZPLTUWQVDEFDN-SWLSCSKDSA-N 1 1 319.365 -1.078 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001440008836 928662858 /nfs/dbraw/zinc/66/28/58/928662858.db2.gz XPKOQVWTHSQBFF-AWEZNQCLSA-N 1 1 311.386 -1.209 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001440005942 928663223 /nfs/dbraw/zinc/66/32/23/928663223.db2.gz JYDPMERFBJVBNJ-ZANVPECISA-N 1 1 314.342 -2.480 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001440004914 928663294 /nfs/dbraw/zinc/66/32/94/928663294.db2.gz ANMZCWPVNRVVRA-FZMZJTMJSA-N 1 1 307.354 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c(C)cnn2C)C1 ZINC001440003367 928663464 /nfs/dbraw/zinc/66/34/64/928663464.db2.gz RXZUGJZGJGJKQY-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c(C)cnn2C)C1 ZINC001440003367 928663468 /nfs/dbraw/zinc/66/34/68/928663468.db2.gz RXZUGJZGJGJKQY-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001440003654 928663743 /nfs/dbraw/zinc/66/37/43/928663743.db2.gz HENXJLHEMAHOGX-YMTOWFKASA-N 1 1 310.354 -1.466 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001440003654 928663749 /nfs/dbraw/zinc/66/37/49/928663749.db2.gz HENXJLHEMAHOGX-YMTOWFKASA-N 1 1 310.354 -1.466 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cccnn1 ZINC001440004847 928663980 /nfs/dbraw/zinc/66/39/80/928663980.db2.gz DZPLTUWQVDEFDN-DOMZBBRYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001440006393 928664004 /nfs/dbraw/zinc/66/40/04/928664004.db2.gz YSBAOXGJCRDIBM-DGCLKSJQSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001440006393 928664011 /nfs/dbraw/zinc/66/40/11/928664011.db2.gz YSBAOXGJCRDIBM-DGCLKSJQSA-N 1 1 320.411 -1.644 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001440008497 928664050 /nfs/dbraw/zinc/66/40/50/928664050.db2.gz OFPALUWSQWYXJZ-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001440008497 928664060 /nfs/dbraw/zinc/66/40/60/928664060.db2.gz OFPALUWSQWYXJZ-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001440020744 928668429 /nfs/dbraw/zinc/66/84/29/928668429.db2.gz SOCLPJRSNSCTFR-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001440021788 928668517 /nfs/dbraw/zinc/66/85/17/928668517.db2.gz VKPBKBXBSBECFY-YGRLFVJLSA-N 1 1 322.369 -2.121 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001440021788 928668520 /nfs/dbraw/zinc/66/85/20/928668520.db2.gz VKPBKBXBSBECFY-YGRLFVJLSA-N 1 1 322.369 -2.121 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440016380 928669130 /nfs/dbraw/zinc/66/91/30/928669130.db2.gz RWQJXQACPXGLMN-RNCFNFMXSA-N 1 1 308.342 -2.211 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440016380 928669135 /nfs/dbraw/zinc/66/91/35/928669135.db2.gz RWQJXQACPXGLMN-RNCFNFMXSA-N 1 1 308.342 -2.211 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001440021837 928669419 /nfs/dbraw/zinc/66/94/19/928669419.db2.gz VVNLPCCHYWODOD-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001440021837 928669424 /nfs/dbraw/zinc/66/94/24/928669424.db2.gz VVNLPCCHYWODOD-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(Cc1nc2ncccn2n1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001440018606 928669499 /nfs/dbraw/zinc/66/94/99/928669499.db2.gz BTMYOGMCDAHCQV-AWEZNQCLSA-N 1 1 320.353 -1.788 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)ccn1 ZINC001440016783 928669607 /nfs/dbraw/zinc/66/96/07/928669607.db2.gz TXNSSKPTGMPXPH-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)ccn1 ZINC001440016783 928669613 /nfs/dbraw/zinc/66/96/13/928669613.db2.gz TXNSSKPTGMPXPH-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001440022786 928669818 /nfs/dbraw/zinc/66/98/18/928669818.db2.gz YTJMBGREJHLSCH-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001440022786 928669828 /nfs/dbraw/zinc/66/98/28/928669828.db2.gz YTJMBGREJHLSCH-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022888 928670306 /nfs/dbraw/zinc/67/03/06/928670306.db2.gz MIXUNXWKHMMKSO-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022888 928670311 /nfs/dbraw/zinc/67/03/11/928670311.db2.gz MIXUNXWKHMMKSO-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001440020825 928670510 /nfs/dbraw/zinc/67/05/10/928670510.db2.gz SXVSMUKQYQUBBM-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440022333 928670613 /nfs/dbraw/zinc/67/06/13/928670613.db2.gz KBRIERUYZIVCEN-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029106 928671872 /nfs/dbraw/zinc/67/18/72/928671872.db2.gz CVBKRNIKNSDSKX-YGRLFVJLSA-N 1 1 309.370 -1.438 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029106 928671878 /nfs/dbraw/zinc/67/18/78/928671878.db2.gz CVBKRNIKNSDSKX-YGRLFVJLSA-N 1 1 309.370 -1.438 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)CCNC(N)=O)C2)cn1 ZINC001440026214 928672471 /nfs/dbraw/zinc/67/24/71/928672471.db2.gz YYKCJLMADFDLLS-CQSZACIVSA-N 1 1 324.385 -1.469 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029104 928672761 /nfs/dbraw/zinc/67/27/61/928672761.db2.gz CVBKRNIKNSDSKX-QMTHXVAHSA-N 1 1 309.370 -1.438 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029104 928672770 /nfs/dbraw/zinc/67/27/70/928672770.db2.gz CVBKRNIKNSDSKX-QMTHXVAHSA-N 1 1 309.370 -1.438 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001440024000 928672782 /nfs/dbraw/zinc/67/27/82/928672782.db2.gz ORRHZUWDBDESIT-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001440024511 928672823 /nfs/dbraw/zinc/67/28/23/928672823.db2.gz PWVIWRFMNUZKDJ-DGCLKSJQSA-N 1 1 313.358 -2.162 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001440024897 928672879 /nfs/dbraw/zinc/67/28/79/928672879.db2.gz UAGZJEACCVDBEU-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001440024897 928672884 /nfs/dbraw/zinc/67/28/84/928672884.db2.gz UAGZJEACCVDBEU-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440027920 928673015 /nfs/dbraw/zinc/67/30/15/928673015.db2.gz AHTQAPGFUWRUCA-WFASDCNBSA-N 1 1 323.397 -1.087 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@H]2CCNC2=O)C1 ZINC001440027196 928673300 /nfs/dbraw/zinc/67/33/00/928673300.db2.gz ZDXHKUCWCFBSBF-WFASDCNBSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035712 928675110 /nfs/dbraw/zinc/67/51/10/928675110.db2.gz ULPMZJFNQIPNQE-RNCFNFMXSA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035712 928675119 /nfs/dbraw/zinc/67/51/19/928675119.db2.gz ULPMZJFNQIPNQE-RNCFNFMXSA-N 1 1 300.359 -1.931 20 0 DAADMO CN(C(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001440038184 928677019 /nfs/dbraw/zinc/67/70/19/928677019.db2.gz IYBZMAWBNKLZFO-ZDUSSCGKSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001440045976 928680524 /nfs/dbraw/zinc/68/05/24/928680524.db2.gz YTNZPHJAIPOCKN-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001440045976 928680530 /nfs/dbraw/zinc/68/05/30/928680530.db2.gz YTNZPHJAIPOCKN-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001440050630 928680834 /nfs/dbraw/zinc/68/08/34/928680834.db2.gz WSYPLJQSTREGSW-UHFFFAOYSA-N 1 1 317.411 -1.405 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001440058020 928683389 /nfs/dbraw/zinc/68/33/89/928683389.db2.gz TTYJIOMKHYBAKV-UHFFFAOYSA-N 1 1 323.401 -1.643 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001440076808 928687905 /nfs/dbraw/zinc/68/79/05/928687905.db2.gz ACBYWKYCOLDUEH-UHFFFAOYSA-N 1 1 324.381 -1.339 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001440089076 928691467 /nfs/dbraw/zinc/69/14/67/928691467.db2.gz SIQSZSTWZSKDJR-UHFFFAOYSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CC(=O)NC)C2)C1 ZINC001440093772 928694184 /nfs/dbraw/zinc/69/41/84/928694184.db2.gz MSVUEORYAGBGBD-NSHDSACASA-N 1 1 314.386 -2.384 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CC(=O)NC)C2)C1 ZINC001440093772 928694193 /nfs/dbraw/zinc/69/41/93/928694193.db2.gz MSVUEORYAGBGBD-NSHDSACASA-N 1 1 314.386 -2.384 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CC(=O)NC)C2)C1 ZINC001440093771 928694222 /nfs/dbraw/zinc/69/42/22/928694222.db2.gz MSVUEORYAGBGBD-LLVKDONJSA-N 1 1 314.386 -2.384 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CC(=O)NC)C2)C1 ZINC001440093771 928694231 /nfs/dbraw/zinc/69/42/31/928694231.db2.gz MSVUEORYAGBGBD-LLVKDONJSA-N 1 1 314.386 -2.384 20 0 DAADMO CC[C@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001440095008 928694482 /nfs/dbraw/zinc/69/44/82/928694482.db2.gz PRDCHELWFJCZIN-JTQLQIEISA-N 1 1 324.385 -1.414 20 0 DAADMO NC(=O)c1nccnc1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001440093079 928694946 /nfs/dbraw/zinc/69/49/46/928694946.db2.gz GYKPDWPIKUBRAW-UHFFFAOYSA-N 1 1 305.338 -1.238 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2C1 ZINC001440145452 928696472 /nfs/dbraw/zinc/69/64/72/928696472.db2.gz XYUHCFQFGAAFGS-DDIVZENXSA-N 1 1 322.365 -1.392 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001440133587 928696678 /nfs/dbraw/zinc/69/66/78/928696678.db2.gz NKTXJOVTSUMQIZ-LPEHRKFASA-N 1 1 320.353 -1.003 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001440133587 928696687 /nfs/dbraw/zinc/69/66/87/928696687.db2.gz NKTXJOVTSUMQIZ-LPEHRKFASA-N 1 1 320.353 -1.003 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001440133587 928696692 /nfs/dbraw/zinc/69/66/92/928696692.db2.gz NKTXJOVTSUMQIZ-LPEHRKFASA-N 1 1 320.353 -1.003 20 0 DAADMO CN1CC(C(=O)NCCN2CCC([NH2+]CCO)CC2)=NC1=O ZINC001440165065 928698208 /nfs/dbraw/zinc/69/82/08/928698208.db2.gz UDVKBFJLYRFPTE-UHFFFAOYSA-N 1 1 311.386 -1.098 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440172728 928698314 /nfs/dbraw/zinc/69/83/14/928698314.db2.gz JLRKDVIBCOMXSY-RISCZKNCSA-N 1 1 301.387 -1.164 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001440173687 928698516 /nfs/dbraw/zinc/69/85/16/928698516.db2.gz MMCMXBIESXEVDZ-AWEZNQCLSA-N 1 1 311.386 -1.065 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001440166249 928699232 /nfs/dbraw/zinc/69/92/32/928699232.db2.gz QTVQGGINNOLXOE-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001440166249 928699239 /nfs/dbraw/zinc/69/92/39/928699239.db2.gz QTVQGGINNOLXOE-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001440161274 928699418 /nfs/dbraw/zinc/69/94/18/928699418.db2.gz WBEGHFPFHOAFBX-AEJSXWLSSA-N 1 1 323.353 -2.150 20 0 DAADMO Cc1nc(CC(=O)NCCN2CCC([NH2+]CCO)CC2)n[nH]1 ZINC001440159765 928699635 /nfs/dbraw/zinc/69/96/35/928699635.db2.gz SRHIAJQYSGYAMZ-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440176628 928700494 /nfs/dbraw/zinc/70/04/94/928700494.db2.gz AKRZMWAXTQQECF-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO O=C(Cn1cnnn1)N[C@]1(CO)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440184671 928700694 /nfs/dbraw/zinc/70/06/94/928700694.db2.gz WPAJAACGKTWLQP-GXTWGEPZSA-N 1 1 324.385 -1.347 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440176842 928701470 /nfs/dbraw/zinc/70/14/70/928701470.db2.gz BEMBDMSTGYPEFN-TYNCELHUSA-N 1 1 313.398 -1.177 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176490 928702548 /nfs/dbraw/zinc/70/25/48/928702548.db2.gz QUZMLQHVWHTJFG-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001440199439 928703283 /nfs/dbraw/zinc/70/32/83/928703283.db2.gz IYSHIMGSKGXBOP-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cnco1)c1nnnn1C ZINC001440205778 928705852 /nfs/dbraw/zinc/70/58/52/928705852.db2.gz ITEYWEBMOKHLLB-VIFPVBQESA-N 1 1 309.330 -1.017 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ccnnc1)c1nnnn1C ZINC001440209983 928706633 /nfs/dbraw/zinc/70/66/33/928706633.db2.gz XAFZSOADUPOFRX-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ccnnc1)c1nnnn1C ZINC001440209985 928707303 /nfs/dbraw/zinc/70/73/03/928707303.db2.gz XAFZSOADUPOFRX-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254595 928709520 /nfs/dbraw/zinc/70/95/20/928709520.db2.gz QRPDXFYHKLIKKY-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254595 928709525 /nfs/dbraw/zinc/70/95/25/928709525.db2.gz QRPDXFYHKLIKKY-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001440263354 928711653 /nfs/dbraw/zinc/71/16/53/928711653.db2.gz JXWUYXMCXVMVTL-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001440314184 928713661 /nfs/dbraw/zinc/71/36/61/928713661.db2.gz UXNQBWMEGMYRJR-AOOOYVTPSA-N 1 1 315.399 -1.124 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001440359218 928715695 /nfs/dbraw/zinc/71/56/95/928715695.db2.gz TZLRXZQBARGDAT-XYPYZODXSA-N 1 1 322.369 -1.514 20 0 DAADMO COC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001440377815 928717463 /nfs/dbraw/zinc/71/74/63/928717463.db2.gz OCWPIRFDXDDJMX-SNVBAGLBSA-N 1 1 313.314 -1.257 20 0 DAADMO COC[C@H](C)C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001440412046 928722417 /nfs/dbraw/zinc/72/24/17/928722417.db2.gz MDUAHJVDFJQYQR-QMMMGPOBSA-N 1 1 311.342 -1.344 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001440432516 928722826 /nfs/dbraw/zinc/72/28/26/928722826.db2.gz GGDDRYFVNLIATN-UHFFFAOYSA-N 1 1 316.362 -2.109 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001440448861 928722904 /nfs/dbraw/zinc/72/29/04/928722904.db2.gz DFISJBHPMBSSLO-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001440448861 928722911 /nfs/dbraw/zinc/72/29/11/928722911.db2.gz DFISJBHPMBSSLO-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(F)F)n1 ZINC001440410327 928722964 /nfs/dbraw/zinc/72/29/64/928722964.db2.gz GLKJTCFLLZLUNB-UHFFFAOYSA-N 1 1 303.269 -1.101 20 0 DAADMO COC[C@@H](C)C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001440412034 928723767 /nfs/dbraw/zinc/72/37/67/928723767.db2.gz MDUAHJVDFJQYQR-MRVPVSSYSA-N 1 1 311.342 -1.344 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001440489012 928725075 /nfs/dbraw/zinc/72/50/75/928725075.db2.gz YCNKMZGIEFXBQI-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)[nH]1 ZINC001440456379 928725170 /nfs/dbraw/zinc/72/51/70/928725170.db2.gz QVLBMJDAEUQPBA-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)[nH]1 ZINC001440456379 928725175 /nfs/dbraw/zinc/72/51/75/928725175.db2.gz QVLBMJDAEUQPBA-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001440458430 928725726 /nfs/dbraw/zinc/72/57/26/928725726.db2.gz QMSJDPLGLOBALF-GFCCVEGCSA-N 1 1 320.411 -1.691 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)[nH]1 ZINC001440456376 928726078 /nfs/dbraw/zinc/72/60/78/928726078.db2.gz QVLBMJDAEUQPBA-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)[nH]1 ZINC001440456376 928726087 /nfs/dbraw/zinc/72/60/87/928726087.db2.gz QVLBMJDAEUQPBA-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CCn1cnnn1 ZINC001440485856 928726105 /nfs/dbraw/zinc/72/61/05/928726105.db2.gz JNPZONADZOQCOK-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001440477984 928726992 /nfs/dbraw/zinc/72/69/92/928726992.db2.gz DUXQNGRODFJNSV-NGZCFLSTSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001440477984 928727002 /nfs/dbraw/zinc/72/70/02/928727002.db2.gz DUXQNGRODFJNSV-NGZCFLSTSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2ccccn2)CC[N@@H+]1CC(N)=O ZINC001440505450 928727843 /nfs/dbraw/zinc/72/78/43/928727843.db2.gz QIAFUKTVOPFLBZ-MNOVXSKESA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2ccccn2)CC[N@H+]1CC(N)=O ZINC001440505450 928727848 /nfs/dbraw/zinc/72/78/48/928727848.db2.gz QIAFUKTVOPFLBZ-MNOVXSKESA-N 1 1 319.365 -1.124 20 0 DAADMO Cn1[nH]c(C[NH2+][C@]2(CO)CCCN(C(=O)C3CC3)C2)nc1=O ZINC001440541355 928728856 /nfs/dbraw/zinc/72/88/56/928728856.db2.gz YRAWIYQNLJKGDJ-CQSZACIVSA-N 1 1 309.370 -1.039 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC001440619011 928735634 /nfs/dbraw/zinc/73/56/34/928735634.db2.gz CDXWHHXSMCGZSP-SNVBAGLBSA-N 1 1 322.431 -1.751 20 0 DAADMO C[C@@H](CCNC(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1nnn(C)n1 ZINC001440669400 928736920 /nfs/dbraw/zinc/73/69/20/928736920.db2.gz RCOZZZNMSQQVGE-QMMMGPOBSA-N 1 1 308.346 -1.053 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC001440634980 928737680 /nfs/dbraw/zinc/73/76/80/928737680.db2.gz HOYFHMZLWWUOJV-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC001440634982 928738662 /nfs/dbraw/zinc/73/86/62/928738662.db2.gz HOYFHMZLWWUOJV-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+](Cc2ccnn2C)CC1 ZINC001440687268 928738747 /nfs/dbraw/zinc/73/87/47/928738747.db2.gz JFGQNFPIPDPJEP-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO CCS(=O)(=O)CC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001440699846 928740230 /nfs/dbraw/zinc/74/02/30/928740230.db2.gz UUFLNAHELGJQRA-UHFFFAOYSA-N 1 1 322.427 -1.253 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1ccnnc1 ZINC001440697374 928741200 /nfs/dbraw/zinc/74/12/00/928741200.db2.gz PKUPWQSPXULXJP-LBPRGKRZSA-N 1 1 319.365 -1.078 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001440704188 928741433 /nfs/dbraw/zinc/74/14/33/928741433.db2.gz IOIOHQDTCXXVHM-ZJUUUORDSA-N 1 1 312.370 -1.918 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001440736780 928743112 /nfs/dbraw/zinc/74/31/12/928743112.db2.gz SEWKHNVTVXTEDI-SECBINFHSA-N 1 1 320.353 -1.403 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001440736780 928743119 /nfs/dbraw/zinc/74/31/19/928743119.db2.gz SEWKHNVTVXTEDI-SECBINFHSA-N 1 1 320.353 -1.403 20 0 DAADMO O=C(C[NH2+]CC1CC(NC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001440754063 928743401 /nfs/dbraw/zinc/74/34/01/928743401.db2.gz ZEJDPCYDUWKFSF-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001440738082 928743716 /nfs/dbraw/zinc/74/37/16/928743716.db2.gz VWHZQVSUVCARQG-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1N)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440768477 928743823 /nfs/dbraw/zinc/74/38/23/928743823.db2.gz CNSUYFVJRKZADR-JGVFFNPUSA-N 1 1 305.346 -1.121 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001440744955 928743837 /nfs/dbraw/zinc/74/38/37/928743837.db2.gz ZSMISVUPDFWVES-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001440738087 928744016 /nfs/dbraw/zinc/74/40/16/928744016.db2.gz VWHZQVSUVCARQG-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001440783254 928745252 /nfs/dbraw/zinc/74/52/52/928745252.db2.gz GTQTZDDXFMWMIG-DTWKUNHWSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@@H]([NH2+]Cc1ncccn1)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001440829482 928746357 /nfs/dbraw/zinc/74/63/57/928746357.db2.gz RNGKAWUSJXELEQ-NEPJUHHUSA-N 1 1 320.397 -1.109 20 0 DAADMO C[C@H](NC(=O)c1c[nH]c(=O)n1C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440816401 928746519 /nfs/dbraw/zinc/74/65/19/928746519.db2.gz KEUGQCWKONVZIT-YUMQZZPRSA-N 1 1 308.346 -1.054 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001440783258 928746556 /nfs/dbraw/zinc/74/65/56/928746556.db2.gz GTQTZDDXFMWMIG-IUCAKERBSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1ncccn1 ZINC001440829485 928746712 /nfs/dbraw/zinc/74/67/12/928746712.db2.gz RNGKAWUSJXELEQ-NWDGAFQWSA-N 1 1 320.397 -1.109 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001440893470 928748431 /nfs/dbraw/zinc/74/84/31/928748431.db2.gz UCXQLYOHNANADV-IUCAKERBSA-N 1 1 314.342 -1.106 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001440900892 928749197 /nfs/dbraw/zinc/74/91/97/928749197.db2.gz IMKZHZMLDCYLNB-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001440900892 928749205 /nfs/dbraw/zinc/74/92/05/928749205.db2.gz IMKZHZMLDCYLNB-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCO ZINC001440940765 928751048 /nfs/dbraw/zinc/75/10/48/928751048.db2.gz DOQJHNSHJCBVBR-BDAKNGLRSA-N 1 1 307.372 -2.672 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCO ZINC001440940765 928751040 /nfs/dbraw/zinc/75/10/40/928751040.db2.gz DOQJHNSHJCBVBR-BDAKNGLRSA-N 1 1 307.372 -2.672 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001440949737 928751119 /nfs/dbraw/zinc/75/11/19/928751119.db2.gz YZQGZOPSUZGXAD-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001440929101 928751227 /nfs/dbraw/zinc/75/12/27/928751227.db2.gz QQQTXXRARRYEMQ-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@H+](C)CC(N)=O ZINC001440954142 928751674 /nfs/dbraw/zinc/75/16/74/928751674.db2.gz GERNLYKSHHRJNJ-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@@H+](C)CC(N)=O ZINC001440954142 928751682 /nfs/dbraw/zinc/75/16/82/928751682.db2.gz GERNLYKSHHRJNJ-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001440977540 928752393 /nfs/dbraw/zinc/75/23/93/928752393.db2.gz MTSKYDNKJBPIKX-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001440978694 928752918 /nfs/dbraw/zinc/75/29/18/928752918.db2.gz UIAQEICXSLQZBI-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001440978694 928752928 /nfs/dbraw/zinc/75/29/28/928752928.db2.gz UIAQEICXSLQZBI-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001441008584 928754611 /nfs/dbraw/zinc/75/46/11/928754611.db2.gz VOGAEZIEPJOOON-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](CNC(=O)c1cccn2c1n[nH]c2=O)[N@H+](C)CC(N)=O ZINC001441005857 928754807 /nfs/dbraw/zinc/75/48/07/928754807.db2.gz RXRWYZMNMFHQOO-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](CNC(=O)c1cccn2c1n[nH]c2=O)[N@@H+](C)CC(N)=O ZINC001441005857 928754816 /nfs/dbraw/zinc/75/48/16/928754816.db2.gz RXRWYZMNMFHQOO-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@H+](C)Cc1cncn1C ZINC001440984430 928755008 /nfs/dbraw/zinc/75/50/08/928755008.db2.gz WWPPXLVZKDFVOF-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)Cc1cncn1C ZINC001440984430 928755014 /nfs/dbraw/zinc/75/50/14/928755014.db2.gz WWPPXLVZKDFVOF-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC001441034628 928755938 /nfs/dbraw/zinc/75/59/38/928755938.db2.gz FMSILFVPQASSMS-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC001441034624 928756337 /nfs/dbraw/zinc/75/63/37/928756337.db2.gz FMSILFVPQASSMS-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001441051668 928759710 /nfs/dbraw/zinc/75/97/10/928759710.db2.gz FDVIBSIOQXFHMG-UHFFFAOYSA-N 1 1 308.404 -1.997 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1(CCO)C[NH+](C(C)C)C1)C(N)=O ZINC001441059878 928760928 /nfs/dbraw/zinc/76/09/28/928760928.db2.gz AEJAHZQIMSYESM-NSHDSACASA-N 1 1 314.386 -1.672 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN(CC(=O)N(C)C)C1 ZINC001441053143 928760999 /nfs/dbraw/zinc/76/09/99/928760999.db2.gz MSDQOEFNNMNUNW-UHFFFAOYSA-N 1 1 323.397 -1.167 20 0 DAADMO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1)OC ZINC001441063277 928762423 /nfs/dbraw/zinc/76/24/23/928762423.db2.gz IWOWHISDADWBAQ-WDEREUQCSA-N 1 1 314.386 -1.354 20 0 DAADMO Cn1nnc(CN2CC(CCO)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001441071622 928765685 /nfs/dbraw/zinc/76/56/85/928765685.db2.gz NUIKLLYMYWUCKU-NSHDSACASA-N 1 1 323.401 -1.785 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001441093091 928767723 /nfs/dbraw/zinc/76/77/23/928767723.db2.gz JJPMZTVBQZPSTL-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001441093091 928767732 /nfs/dbraw/zinc/76/77/32/928767732.db2.gz JJPMZTVBQZPSTL-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001441138232 928769172 /nfs/dbraw/zinc/76/91/72/928769172.db2.gz TXEWJIWNUOEHPB-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](NC(=O)Cn1cccn1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001441139873 928770165 /nfs/dbraw/zinc/77/01/65/928770165.db2.gz PXQIDDWGOMPWPR-ZJUUUORDSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](NC(=O)Cn1cccn1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001441139868 928771177 /nfs/dbraw/zinc/77/11/77/928771177.db2.gz PXQIDDWGOMPWPR-UWVGGRQHSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](NC(=O)CS(=O)(=O)N(C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001441196095 928772745 /nfs/dbraw/zinc/77/27/45/928772745.db2.gz GZQNEBYIHMYWEG-IUCAKERBSA-N 1 1 320.415 -1.812 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001441188565 928773257 /nfs/dbraw/zinc/77/32/57/928773257.db2.gz OKUGDSUMCJPIEL-VIFPVBQESA-N 1 1 317.357 -1.120 20 0 DAADMO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001441195969 928773924 /nfs/dbraw/zinc/77/39/24/928773924.db2.gz GZQNEBYIHMYWEG-BDAKNGLRSA-N 1 1 320.415 -1.812 20 0 DAADMO O=C(C[NH2+][C@H](CNC(=O)c1ncn[nH]1)C1CC1)N1CCOCC1 ZINC001441249112 928775410 /nfs/dbraw/zinc/77/54/10/928775410.db2.gz XKQHCJWAWYRVAN-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+][C@H](CNC(=O)c1nc[nH]n1)C1CC1)N1CCOCC1 ZINC001441249112 928775423 /nfs/dbraw/zinc/77/54/23/928775423.db2.gz XKQHCJWAWYRVAN-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001441231512 928776174 /nfs/dbraw/zinc/77/61/74/928776174.db2.gz TVQJNSTWLIIHKM-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001441231512 928776175 /nfs/dbraw/zinc/77/61/75/928776175.db2.gz TVQJNSTWLIIHKM-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001441296463 928776963 /nfs/dbraw/zinc/77/69/63/928776963.db2.gz KPLBVQZRFAFZPZ-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001441286959 928777083 /nfs/dbraw/zinc/77/70/83/928777083.db2.gz GDBJZPAVAJMFLX-CNDDSTCGSA-N 1 1 319.365 -1.587 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(N)=O)C2)NC1=O ZINC001441289825 928777150 /nfs/dbraw/zinc/77/71/50/928777150.db2.gz CJLAQWVQPBFSJZ-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001441283371 928777610 /nfs/dbraw/zinc/77/76/10/928777610.db2.gz QIBJNVUKLXAVQU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001441293501 928777745 /nfs/dbraw/zinc/77/77/45/928777745.db2.gz CUGRLEHDVMPMNE-FIQHERPVSA-N 1 1 324.381 -1.987 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001441293503 928777962 /nfs/dbraw/zinc/77/79/62/928777962.db2.gz CUGRLEHDVMPMNE-KKOKHZNYSA-N 1 1 324.381 -1.987 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(N)=O)C2)NC1=O ZINC001441289820 928778081 /nfs/dbraw/zinc/77/80/81/928778081.db2.gz CJLAQWVQPBFSJZ-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cncn3)[C@@H]2C1 ZINC001441293550 928778174 /nfs/dbraw/zinc/77/81/74/928778174.db2.gz KPSFQPZNVQVBTM-CNDDSTCGSA-N 1 1 306.370 -1.162 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001441311803 928779198 /nfs/dbraw/zinc/77/91/98/928779198.db2.gz UVPFWVPDACYWKF-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441306071 928780002 /nfs/dbraw/zinc/78/00/02/928780002.db2.gz WYPNJLYUGGKDJA-PSVAKVPMSA-N 1 1 319.387 -3.181 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001441301458 928780144 /nfs/dbraw/zinc/78/01/44/928780144.db2.gz OQVPRDXMDQIQQH-NXEZZACHSA-N 1 1 309.374 -1.132 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC001441342710 928781882 /nfs/dbraw/zinc/78/18/82/928781882.db2.gz STYMQKYRWXCOKL-IJLUTSLNSA-N 1 1 319.427 -1.255 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001441387681 928786948 /nfs/dbraw/zinc/78/69/48/928786948.db2.gz PZWGEQCAFOVVQF-NEPJUHHUSA-N 1 1 314.386 -1.402 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441438104 928790217 /nfs/dbraw/zinc/79/02/17/928790217.db2.gz XJIYNTPIADPNLE-JTQLQIEISA-N 1 1 324.389 -1.534 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001441494249 928791782 /nfs/dbraw/zinc/79/17/82/928791782.db2.gz HKIZRKHSDVWHNZ-AXFHLTTASA-N 1 1 305.342 -1.087 20 0 DAADMO C[C@@H](CN(C)C(=O)c1ccn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441484859 928792063 /nfs/dbraw/zinc/79/20/63/928792063.db2.gz CFDBYZRTAYRMNY-JTQLQIEISA-N 1 1 322.369 -1.582 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441477040 928792293 /nfs/dbraw/zinc/79/22/93/928792293.db2.gz RIBXKHNUAFJSOW-JTQLQIEISA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001441537293 928797040 /nfs/dbraw/zinc/79/70/40/928797040.db2.gz RCKHHFLQKYKTEB-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnon2)C1 ZINC001441574188 928797590 /nfs/dbraw/zinc/79/75/90/928797590.db2.gz DBBDLUQSTADMHG-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnon2)C1 ZINC001441574188 928797602 /nfs/dbraw/zinc/79/76/02/928797602.db2.gz DBBDLUQSTADMHG-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001441582314 928799823 /nfs/dbraw/zinc/79/98/23/928799823.db2.gz BLMAHLAHEHGHLL-MRVPVSSYSA-N 1 1 308.346 -1.101 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001441633207 928803561 /nfs/dbraw/zinc/80/35/61/928803561.db2.gz DUEHWUOZKPFIHA-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001441633207 928803571 /nfs/dbraw/zinc/80/35/71/928803571.db2.gz DUEHWUOZKPFIHA-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001441671225 928808206 /nfs/dbraw/zinc/80/82/06/928808206.db2.gz SDORGKYIEXVAPV-CMPLNLGQSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001441668354 928808409 /nfs/dbraw/zinc/80/84/09/928808409.db2.gz DIWJWJUHLIJSDN-GFCCVEGCSA-N 1 1 309.370 -1.170 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001441672152 928808765 /nfs/dbraw/zinc/80/87/65/928808765.db2.gz UBRHAHOISRBYJF-GWCFXTLKSA-N 1 1 309.370 -1.124 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001441676424 928812923 /nfs/dbraw/zinc/81/29/23/928812923.db2.gz CBHZUUZKFMRGRW-ZETCQYMHSA-N 1 1 309.355 -1.209 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441677599 928812941 /nfs/dbraw/zinc/81/29/41/928812941.db2.gz GEOQUYFXBHCGSN-LBPRGKRZSA-N 1 1 311.386 -1.179 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001441686907 928815436 /nfs/dbraw/zinc/81/54/36/928815436.db2.gz XXBFDMDEBNSZLA-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnsn2)C1 ZINC001441691781 928816799 /nfs/dbraw/zinc/81/67/99/928816799.db2.gz CPSRVXZNYLVUIE-QWRGUYRKSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnsn2)C1 ZINC001441691781 928816804 /nfs/dbraw/zinc/81/68/04/928816804.db2.gz CPSRVXZNYLVUIE-QWRGUYRKSA-N 1 1 315.399 -1.565 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ncccc1O)NC1CC1 ZINC001441696040 928817272 /nfs/dbraw/zinc/81/72/72/928817272.db2.gz KUDIDKFZKMQPJH-JTQLQIEISA-N 1 1 308.338 -1.254 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001441696799 928817923 /nfs/dbraw/zinc/81/79/23/928817923.db2.gz NIGWAWDYPVPQLN-FRRDWIJNSA-N 1 1 314.430 -1.081 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001441696799 928817934 /nfs/dbraw/zinc/81/79/34/928817934.db2.gz NIGWAWDYPVPQLN-FRRDWIJNSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001441698261 928819644 /nfs/dbraw/zinc/81/96/44/928819644.db2.gz NNRRYJYPXURFOV-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001441699179 928821145 /nfs/dbraw/zinc/82/11/45/928821145.db2.gz DKJWKAFHRCPTBV-JTQLQIEISA-N 1 1 312.374 -1.799 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)CNC(=O)NC ZINC001441700378 928822308 /nfs/dbraw/zinc/82/23/08/928822308.db2.gz BAUKMNMPCHLHLF-VIFPVBQESA-N 1 1 313.362 -2.206 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1N ZINC001441702598 928822557 /nfs/dbraw/zinc/82/25/57/928822557.db2.gz ZSGIRRWRTVISGS-SECBINFHSA-N 1 1 322.373 -1.506 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)CNC(=O)NC ZINC001441700375 928822583 /nfs/dbraw/zinc/82/25/83/928822583.db2.gz BAUKMNMPCHLHLF-SECBINFHSA-N 1 1 313.362 -2.206 20 0 DAADMO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001441706481 928827895 /nfs/dbraw/zinc/82/78/95/928827895.db2.gz OWOHWHLUOKQKDR-QMMMGPOBSA-N 1 1 321.341 -1.879 20 0 DAADMO Cn1ncc(CN[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001441708488 928827937 /nfs/dbraw/zinc/82/79/37/928827937.db2.gz FYTOVEQJZBLRER-CHWSQXEVSA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001441709055 928829626 /nfs/dbraw/zinc/82/96/26/928829626.db2.gz KYSZMBXARRUJKJ-ZDUSSCGKSA-N 1 1 322.365 -1.493 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441710846 928831073 /nfs/dbraw/zinc/83/10/73/928831073.db2.gz UNGPPPSTFWOQQG-NEPJUHHUSA-N 1 1 309.370 -1.312 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441709822 928831554 /nfs/dbraw/zinc/83/15/54/928831554.db2.gz HGPHPBYOWHXASH-NWDGAFQWSA-N 1 1 312.414 -1.197 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001441709869 928832047 /nfs/dbraw/zinc/83/20/47/928832047.db2.gz LPQPWNWKUMAUOK-WDEREUQCSA-N 1 1 309.370 -1.487 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001441714454 928834707 /nfs/dbraw/zinc/83/47/07/928834707.db2.gz FYEXFTIVMWHFMF-WCQYABFASA-N 1 1 323.397 -1.004 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC1CC1 ZINC001441715713 928835110 /nfs/dbraw/zinc/83/51/10/928835110.db2.gz JENJJTDPNDXJLK-QJPTWQEYSA-N 1 1 321.381 -1.142 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001441718311 928837226 /nfs/dbraw/zinc/83/72/26/928837226.db2.gz WZEHBBHCKLSRBR-DGCLKSJQSA-N 1 1 323.397 -1.004 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)S(C)(=O)=O ZINC001441720960 928839648 /nfs/dbraw/zinc/83/96/48/928839648.db2.gz ZKAHFEHZERLDQW-RKDXNWHRSA-N 1 1 319.387 -2.185 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)NC1=O ZINC001441727577 928842690 /nfs/dbraw/zinc/84/26/90/928842690.db2.gz DRWWTAJWQHYGNC-NWDGAFQWSA-N 1 1 307.354 -1.328 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001441731807 928843094 /nfs/dbraw/zinc/84/30/94/928843094.db2.gz JJCGPHPJEMOZNJ-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCn1ccnc1 ZINC001441726175 928843198 /nfs/dbraw/zinc/84/31/98/928843198.db2.gz UBLDEYCUTBGSGV-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)NC1=O ZINC001441729306 928843380 /nfs/dbraw/zinc/84/33/80/928843380.db2.gz IPLKVNKTZGYEGK-APPZFPTMSA-N 1 1 314.371 -1.872 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)NC1=O ZINC001441729308 928843402 /nfs/dbraw/zinc/84/34/02/928843402.db2.gz IPLKVNKTZGYEGK-CBAPKCEASA-N 1 1 314.371 -1.872 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C3CC3)no2)n1 ZINC001441738216 928845548 /nfs/dbraw/zinc/84/55/48/928845548.db2.gz UJGARCBAMZNMBO-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C3CC3)no2)n1 ZINC001441738214 928846438 /nfs/dbraw/zinc/84/64/38/928846438.db2.gz UJGARCBAMZNMBO-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001441747118 928848700 /nfs/dbraw/zinc/84/87/00/928848700.db2.gz FNLXQUAYXCOOED-SECBINFHSA-N 1 1 320.353 -1.272 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001441755792 928852572 /nfs/dbraw/zinc/85/25/72/928852572.db2.gz SGYYSDMFFOUYMZ-RYUDHWBXSA-N 1 1 311.386 -1.099 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001441762750 928854340 /nfs/dbraw/zinc/85/43/40/928854340.db2.gz KKTGEDJLBYMONS-GFCCVEGCSA-N 1 1 323.332 -1.136 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)n1 ZINC001441768792 928857091 /nfs/dbraw/zinc/85/70/91/928857091.db2.gz VAARBNTZYAKWBU-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001441777548 928860055 /nfs/dbraw/zinc/86/00/55/928860055.db2.gz OSTSNQINTNNHDL-NXEZZACHSA-N 1 1 321.399 -2.247 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001441774801 928861132 /nfs/dbraw/zinc/86/11/32/928861132.db2.gz ZTBLYUYOJDGFAY-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001441781950 928863537 /nfs/dbraw/zinc/86/35/37/928863537.db2.gz QCHYZCDJAJJKRP-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001441781950 928863548 /nfs/dbraw/zinc/86/35/48/928863548.db2.gz QCHYZCDJAJJKRP-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1cn(C)nn1 ZINC001441787425 928865803 /nfs/dbraw/zinc/86/58/03/928865803.db2.gz FNTARTXTFYLVHY-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H](CO)NCC(=O)N1CCCC1 ZINC001441789310 928866573 /nfs/dbraw/zinc/86/65/73/928866573.db2.gz HYXUNAUDYSQTIC-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001441784782 928867094 /nfs/dbraw/zinc/86/70/94/928867094.db2.gz JZRDBJSMIYVPJL-DGCLKSJQSA-N 1 1 324.425 -1.184 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1CCF ZINC001441787512 928867975 /nfs/dbraw/zinc/86/79/75/928867975.db2.gz JIYNKCIVHYYKFI-SECBINFHSA-N 1 1 321.378 -1.114 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)Cn2ccnc2)n1 ZINC001441800514 928869268 /nfs/dbraw/zinc/86/92/68/928869268.db2.gz NSUYCCJLLRHWME-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001441797016 928870144 /nfs/dbraw/zinc/87/01/44/928870144.db2.gz PXIWZDYOJACVNM-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001441802428 928870610 /nfs/dbraw/zinc/87/06/10/928870610.db2.gz DGUOMDSQPQTKKP-RYUDHWBXSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001441802428 928870618 /nfs/dbraw/zinc/87/06/18/928870618.db2.gz DGUOMDSQPQTKKP-RYUDHWBXSA-N 1 1 313.358 -1.643 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441800042 928870887 /nfs/dbraw/zinc/87/08/87/928870887.db2.gz ROCGOEUJSGNOFQ-UWVGGRQHSA-N 1 1 315.374 -2.540 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441800042 928870892 /nfs/dbraw/zinc/87/08/92/928870892.db2.gz ROCGOEUJSGNOFQ-UWVGGRQHSA-N 1 1 315.374 -2.540 20 0 DAADMO CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001441797043 928870960 /nfs/dbraw/zinc/87/09/60/928870960.db2.gz PXIWZDYOJACVNM-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n(C)c1=O ZINC001441816834 928871934 /nfs/dbraw/zinc/87/19/34/928871934.db2.gz DKURZEYCTSRYOD-VIFPVBQESA-N 1 1 323.357 -2.267 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001441827711 928873610 /nfs/dbraw/zinc/87/36/10/928873610.db2.gz OMSZDNHSQFVYHX-RYUDHWBXSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001441827711 928873617 /nfs/dbraw/zinc/87/36/17/928873617.db2.gz OMSZDNHSQFVYHX-RYUDHWBXSA-N 1 1 300.403 -1.328 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001441842107 928874912 /nfs/dbraw/zinc/87/49/12/928874912.db2.gz LNLBAHGTNQSWNB-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001441879833 928878157 /nfs/dbraw/zinc/87/81/57/928878157.db2.gz FQORFECDMDNYHI-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001441879833 928878172 /nfs/dbraw/zinc/87/81/72/928878172.db2.gz FQORFECDMDNYHI-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+][C@@H](C)c1nnnn1C ZINC001441857685 928878565 /nfs/dbraw/zinc/87/85/65/928878565.db2.gz YVYCJVPCTLVEFH-SFYZADRCSA-N 1 1 316.387 -1.590 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnn(C)c1 ZINC001441950098 928885598 /nfs/dbraw/zinc/88/55/98/928885598.db2.gz GVKUBSKSJHGJBX-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441951080 928886910 /nfs/dbraw/zinc/88/69/10/928886910.db2.gz NKJKNUAVHZEECV-BBBLOLIVSA-N 1 1 309.374 -1.201 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001441957559 928887125 /nfs/dbraw/zinc/88/71/25/928887125.db2.gz XZFXIEMHIZZRNH-MWLCHTKSSA-N 1 1 312.374 -1.579 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441948197 928887169 /nfs/dbraw/zinc/88/71/69/928887169.db2.gz ANAOTNDAHITRMC-CBAPKCEASA-N 1 1 308.346 -1.716 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CN1CCCC1=O ZINC001441955522 928887192 /nfs/dbraw/zinc/88/71/92/928887192.db2.gz PBMCUDYDUOLUFC-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CN1CCCC1=O ZINC001441955519 928887371 /nfs/dbraw/zinc/88/73/71/928887371.db2.gz PBMCUDYDUOLUFC-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441958620 928888072 /nfs/dbraw/zinc/88/80/72/928888072.db2.gz NCPYQCQGGBXGHC-IONNQARKSA-N 1 1 307.358 -1.042 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001441959015 928888158 /nfs/dbraw/zinc/88/81/58/928888158.db2.gz HFQRZVKBMJBTPZ-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n[nH]1 ZINC001441959015 928888168 /nfs/dbraw/zinc/88/81/68/928888168.db2.gz HFQRZVKBMJBTPZ-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnn(C)c1 ZINC001441960244 928888221 /nfs/dbraw/zinc/88/82/21/928888221.db2.gz WPFPINYEJUYRSK-LBPRGKRZSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001441961599 928888345 /nfs/dbraw/zinc/88/83/45/928888345.db2.gz KLXNXIUATDLDED-GFCCVEGCSA-N 1 1 321.385 -1.071 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001441961292 928888673 /nfs/dbraw/zinc/88/86/73/928888673.db2.gz XYBQVHJXOXGKLE-WPRPVWTQSA-N 1 1 313.362 -2.356 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001441962444 928888740 /nfs/dbraw/zinc/88/87/40/928888740.db2.gz VDOYRKMJTGPVBE-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001441957933 928888834 /nfs/dbraw/zinc/88/88/34/928888834.db2.gz FUNJOGOKEDZLAK-NSHDSACASA-N 1 1 309.370 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441958622 928888938 /nfs/dbraw/zinc/88/89/38/928888938.db2.gz NCPYQCQGGBXGHC-VXNVDRBHSA-N 1 1 307.358 -1.042 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001441960525 928889712 /nfs/dbraw/zinc/88/97/12/928889712.db2.gz XQWVTFQKSGMMJU-GXSJLCMTSA-N 1 1 313.358 -1.188 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001441959018 928889822 /nfs/dbraw/zinc/88/98/22/928889822.db2.gz HFQRZVKBMJBTPZ-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n[nH]1 ZINC001441959018 928889833 /nfs/dbraw/zinc/88/98/33/928889833.db2.gz HFQRZVKBMJBTPZ-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001441960640 928889992 /nfs/dbraw/zinc/88/99/92/928889992.db2.gz XYBQVHJXOXGKLE-PSASIEDQSA-N 1 1 313.362 -2.356 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1=COCCO1 ZINC001441961483 928890228 /nfs/dbraw/zinc/89/02/28/928890228.db2.gz ZCPOOTDTSKCSFG-VIFPVBQESA-N 1 1 312.330 -1.993 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001441969511 928890787 /nfs/dbraw/zinc/89/07/87/928890787.db2.gz FCVGHWFJMQDXFW-SECBINFHSA-N 1 1 309.334 -2.291 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001441970589 928892675 /nfs/dbraw/zinc/89/26/75/928892675.db2.gz LJCWCQTYPGRQKP-IUCAKERBSA-N 1 1 313.362 -2.219 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)c1 ZINC001441967274 928892781 /nfs/dbraw/zinc/89/27/81/928892781.db2.gz ROVQEVCKSFSPDO-GFCCVEGCSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CCn1ccnn1 ZINC001441972745 928895354 /nfs/dbraw/zinc/89/53/54/928895354.db2.gz PUZRPTVCLTVSQC-NSHDSACASA-N 1 1 309.330 -1.340 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncnc1 ZINC001441972588 928895838 /nfs/dbraw/zinc/89/58/38/928895838.db2.gz PJDOMXZTSCCTNH-SNVBAGLBSA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001441978916 928896525 /nfs/dbraw/zinc/89/65/25/928896525.db2.gz FIBZLQSXYPFWMQ-QWRGUYRKSA-N 1 1 324.385 -1.798 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1ncnn1)c1ncccn1 ZINC001441980500 928898448 /nfs/dbraw/zinc/89/84/48/928898448.db2.gz WNWJSVRODBMQNT-MNOVXSKESA-N 1 1 320.357 -1.367 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCNC(=O)C1 ZINC001441979481 928898692 /nfs/dbraw/zinc/89/86/92/928898692.db2.gz XWRAZMYFUICRBS-ONGXEEELSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC(C)(C)O ZINC001441996533 928903381 /nfs/dbraw/zinc/90/33/81/928903381.db2.gz MTYIOJMEGKMJEE-VIFPVBQESA-N 1 1 300.363 -1.720 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn(C)nn2)n1 ZINC001442002517 928904404 /nfs/dbraw/zinc/90/44/04/928904404.db2.gz VVYHQSOJOZXWON-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2nnc(C)o2)[nH]1 ZINC001442003457 928904979 /nfs/dbraw/zinc/90/49/79/928904979.db2.gz WGKWBAFFNNEFSH-SNVBAGLBSA-N 1 1 323.357 -1.044 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ncccn1 ZINC001442025824 928907396 /nfs/dbraw/zinc/90/73/96/928907396.db2.gz UEDXVQFGTBKRCE-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001442017142 928908231 /nfs/dbraw/zinc/90/82/31/928908231.db2.gz FRZMNUNNAWOLII-SECBINFHSA-N 1 1 309.330 -1.096 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnon2)nn1 ZINC001442025890 928908307 /nfs/dbraw/zinc/90/83/07/928908307.db2.gz UJDHSMHCVVAWBM-JTQLQIEISA-N 1 1 309.330 -1.096 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001442020859 928908500 /nfs/dbraw/zinc/90/85/00/928908500.db2.gz SQTBNUZYLKKOTI-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001442014345 928909040 /nfs/dbraw/zinc/90/90/40/928909040.db2.gz IXMZVEZVVCVZEW-WPRPVWTQSA-N 1 1 307.358 -1.119 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ncccn1)c1nnnn1C ZINC001442027302 928910350 /nfs/dbraw/zinc/91/03/50/928910350.db2.gz WTVAYCSAPTWQAG-NXEZZACHSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[C@H]1CCC(=O)N1 ZINC001442029168 928910471 /nfs/dbraw/zinc/91/04/71/928910471.db2.gz NGYISBFAVHQXAK-MNOVXSKESA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001442029169 928911094 /nfs/dbraw/zinc/91/10/94/928911094.db2.gz NGYISBFAVHQXAK-QWRGUYRKSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nncn1C ZINC001442027609 928911659 /nfs/dbraw/zinc/91/16/59/928911659.db2.gz GGCAJKXMGZDDHD-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CN1CCCC1 ZINC001442043443 928912562 /nfs/dbraw/zinc/91/25/62/928912562.db2.gz WWYULSOQAYDCKG-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001442044448 928912686 /nfs/dbraw/zinc/91/26/86/928912686.db2.gz CBUDNRYZDJKCLS-VXGBXAGGSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@H](O)CNCc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442035314 928912699 /nfs/dbraw/zinc/91/26/99/928912699.db2.gz QYLCJQUINFNKPG-WDEREUQCSA-N 1 1 311.390 -1.929 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1cccn1 ZINC001442045045 928912825 /nfs/dbraw/zinc/91/28/25/928912825.db2.gz OVKPBLLDOKYJGM-CYBMUJFWSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1cccn1 ZINC001442045045 928912834 /nfs/dbraw/zinc/91/28/34/928912834.db2.gz OVKPBLLDOKYJGM-CYBMUJFWSA-N 1 1 323.397 -1.134 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040733 928913002 /nfs/dbraw/zinc/91/30/02/928913002.db2.gz LRAMNWCRNIOTEA-CMPLNLGQSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040733 928913010 /nfs/dbraw/zinc/91/30/10/928913010.db2.gz LRAMNWCRNIOTEA-CMPLNLGQSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040737 928913454 /nfs/dbraw/zinc/91/34/54/928913454.db2.gz LRAMNWCRNIOTEA-JQWIXIFHSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040737 928913463 /nfs/dbraw/zinc/91/34/63/928913463.db2.gz LRAMNWCRNIOTEA-JQWIXIFHSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442042250 928914047 /nfs/dbraw/zinc/91/40/47/928914047.db2.gz MZVNPHAIQRETOE-GFCCVEGCSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442042250 928914055 /nfs/dbraw/zinc/91/40/55/928914055.db2.gz MZVNPHAIQRETOE-GFCCVEGCSA-N 1 1 311.386 -1.278 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001442046271 928914078 /nfs/dbraw/zinc/91/40/78/928914078.db2.gz MNTYZEFRWSMYIC-NWDGAFQWSA-N 1 1 300.359 -1.218 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)cnn1C ZINC001442043806 928914317 /nfs/dbraw/zinc/91/43/17/928914317.db2.gz NKLRNOODTYOXKB-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001442050665 928915724 /nfs/dbraw/zinc/91/57/24/928915724.db2.gz QRGLDUWGABMBDF-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001442050665 928915732 /nfs/dbraw/zinc/91/57/32/928915732.db2.gz QRGLDUWGABMBDF-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001442053420 928916120 /nfs/dbraw/zinc/91/61/20/928916120.db2.gz PSLDKEYRVCLGKP-SNVBAGLBSA-N 1 1 317.390 -2.245 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001442053420 928916127 /nfs/dbraw/zinc/91/61/27/928916127.db2.gz PSLDKEYRVCLGKP-SNVBAGLBSA-N 1 1 317.390 -2.245 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1nnnn1C ZINC001442052060 928916368 /nfs/dbraw/zinc/91/63/68/928916368.db2.gz YHJNLRQJFNJDIZ-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC001442046541 928916781 /nfs/dbraw/zinc/91/67/81/928916781.db2.gz KSKIJGQFRIJDEM-DTWKUNHWSA-N 1 1 318.403 -1.480 20 0 DAADMO CCn1cnc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001442047104 928916930 /nfs/dbraw/zinc/91/69/30/928916930.db2.gz USLCZZZVLKIIRL-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1nncn1C ZINC001442057474 928919312 /nfs/dbraw/zinc/91/93/12/928919312.db2.gz WITZLHUPKZYUHT-UWVGGRQHSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064918 928919446 /nfs/dbraw/zinc/91/94/46/928919446.db2.gz QERLRZJUJPEDGY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064918 928919453 /nfs/dbraw/zinc/91/94/53/928919453.db2.gz QERLRZJUJPEDGY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1nncn1C ZINC001442057477 928920070 /nfs/dbraw/zinc/92/00/70/928920070.db2.gz WITZLHUPKZYUHT-VHSXEESVSA-N 1 1 315.399 -1.013 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001442058410 928920248 /nfs/dbraw/zinc/92/02/48/928920248.db2.gz ZIEFNGKMCCUSSJ-VXGBXAGGSA-N 1 1 301.387 -1.354 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001442056425 928920617 /nfs/dbraw/zinc/92/06/17/928920617.db2.gz OXPGPUCFHQZEKR-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1cc[nH]n1 ZINC001442056426 928920836 /nfs/dbraw/zinc/92/08/36/928920836.db2.gz SHMZRNCRHNGGGS-ZDUSSCGKSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1cc[nH]n1 ZINC001442056426 928920844 /nfs/dbraw/zinc/92/08/44/928920844.db2.gz SHMZRNCRHNGGGS-ZDUSSCGKSA-N 1 1 323.397 -1.064 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001442060258 928921006 /nfs/dbraw/zinc/92/10/06/928921006.db2.gz YULWVXMNQHNSCJ-ZJUUUORDSA-N 1 1 324.385 -1.313 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1nncn1C ZINC001442057481 928921437 /nfs/dbraw/zinc/92/14/37/928921437.db2.gz WITZLHUPKZYUHT-ZJUUUORDSA-N 1 1 315.399 -1.013 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001442077767 928921877 /nfs/dbraw/zinc/92/18/77/928921877.db2.gz YEOPCLADUZOWIJ-SFYZADRCSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001442077767 928921884 /nfs/dbraw/zinc/92/18/84/928921884.db2.gz YEOPCLADUZOWIJ-SFYZADRCSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CCC(O)CC1 ZINC001442078482 928922086 /nfs/dbraw/zinc/92/20/86/928922086.db2.gz ZOKHOVFXSQZVBO-MCIGGMRASA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CCC(O)CC1 ZINC001442078482 928922098 /nfs/dbraw/zinc/92/20/98/928922098.db2.gz ZOKHOVFXSQZVBO-MCIGGMRASA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442080593 928922309 /nfs/dbraw/zinc/92/23/09/928922309.db2.gz KGUIDADWXNPWML-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442080593 928922316 /nfs/dbraw/zinc/92/23/16/928922316.db2.gz KGUIDADWXNPWML-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001442076682 928922672 /nfs/dbraw/zinc/92/26/72/928922672.db2.gz XBGIZBWSSZGSRN-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001442073277 928922713 /nfs/dbraw/zinc/92/27/13/928922713.db2.gz ZDMKTEXBMAYQAL-NEPJUHHUSA-N 1 1 314.386 -1.208 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001442072196 928923003 /nfs/dbraw/zinc/92/30/03/928923003.db2.gz PJPINZSFBFKEQO-MWLCHTKSSA-N 1 1 318.374 -2.051 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001442072196 928923014 /nfs/dbraw/zinc/92/30/14/928923014.db2.gz PJPINZSFBFKEQO-MWLCHTKSSA-N 1 1 318.374 -2.051 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001442067817 928923090 /nfs/dbraw/zinc/92/30/90/928923090.db2.gz FPOFPPHWAXHIKH-WDEREUQCSA-N 1 1 324.385 -1.590 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001442068098 928923147 /nfs/dbraw/zinc/92/31/47/928923147.db2.gz GSIKUITVQNXUDT-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001442068098 928923156 /nfs/dbraw/zinc/92/31/56/928923156.db2.gz GSIKUITVQNXUDT-VHSXEESVSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(F)F ZINC001442080049 928923302 /nfs/dbraw/zinc/92/33/02/928923302.db2.gz HUUBFOQOAUTYBA-MRVPVSSYSA-N 1 1 324.328 -1.022 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(F)F ZINC001442080049 928923308 /nfs/dbraw/zinc/92/33/08/928923308.db2.gz HUUBFOQOAUTYBA-MRVPVSSYSA-N 1 1 324.328 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442081504 928923360 /nfs/dbraw/zinc/92/33/60/928923360.db2.gz GWBPKPNSTMRWSX-IUCAKERBSA-N 1 1 313.362 -2.161 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001442081454 928923541 /nfs/dbraw/zinc/92/35/41/928923541.db2.gz GMHZVLPBUVNLIJ-NXEZZACHSA-N 1 1 300.359 -1.129 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001442080592 928923687 /nfs/dbraw/zinc/92/36/87/928923687.db2.gz KGUIDADWXNPWML-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001442080592 928923696 /nfs/dbraw/zinc/92/36/96/928923696.db2.gz KGUIDADWXNPWML-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001442077178 928923784 /nfs/dbraw/zinc/92/37/84/928923784.db2.gz BDLDXBRGKFVRHC-UWVGGRQHSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001442082788 928923972 /nfs/dbraw/zinc/92/39/72/928923972.db2.gz QPRYVYUKKLPUJC-GXSJLCMTSA-N 1 1 323.353 -1.977 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001442072194 928924147 /nfs/dbraw/zinc/92/41/47/928924147.db2.gz PJPINZSFBFKEQO-GXSJLCMTSA-N 1 1 318.374 -2.051 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001442072194 928924165 /nfs/dbraw/zinc/92/41/65/928924165.db2.gz PJPINZSFBFKEQO-GXSJLCMTSA-N 1 1 318.374 -2.051 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001442080273 928924426 /nfs/dbraw/zinc/92/44/26/928924426.db2.gz JWCZPJREOUWZHR-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001442072854 928924652 /nfs/dbraw/zinc/92/46/52/928924652.db2.gz XOUGURAKKVSFIQ-JTQLQIEISA-N 1 1 314.342 -2.308 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1cn[nH]c1 ZINC001442078962 928924739 /nfs/dbraw/zinc/92/47/39/928924739.db2.gz FBVHLWSYKYACMT-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001442077438 928924777 /nfs/dbraw/zinc/92/47/77/928924777.db2.gz CZLMBERNYCMQQR-IJLUTSLNSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001442077438 928924781 /nfs/dbraw/zinc/92/47/81/928924781.db2.gz CZLMBERNYCMQQR-IJLUTSLNSA-N 1 1 323.397 -1.240 20 0 DAADMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086967 928925561 /nfs/dbraw/zinc/92/55/61/928925561.db2.gz AYLYFXNYRAYEIH-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086967 928925577 /nfs/dbraw/zinc/92/55/77/928925577.db2.gz AYLYFXNYRAYEIH-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001442084110 928925694 /nfs/dbraw/zinc/92/56/94/928925694.db2.gz LAELZVOHMLKJPR-POQQGIQPSA-N 1 1 316.398 -1.363 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001442091647 928925794 /nfs/dbraw/zinc/92/57/94/928925794.db2.gz MCNYIBBXHWVCLJ-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001442086309 928925825 /nfs/dbraw/zinc/92/58/25/928925825.db2.gz VWCAUXXYQNJHBB-GRYCIOLGSA-N 1 1 317.386 -1.583 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001442098167 928926103 /nfs/dbraw/zinc/92/61/03/928926103.db2.gz SCABDROLZDINBH-SNVBAGLBSA-N 1 1 317.390 -2.116 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001442098167 928926109 /nfs/dbraw/zinc/92/61/09/928926109.db2.gz SCABDROLZDINBH-SNVBAGLBSA-N 1 1 317.390 -2.116 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001442095494 928926752 /nfs/dbraw/zinc/92/67/52/928926752.db2.gz OZKWQTVBAMGIDY-SNVBAGLBSA-N 1 1 312.374 -1.814 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001442095494 928926764 /nfs/dbraw/zinc/92/67/64/928926764.db2.gz OZKWQTVBAMGIDY-SNVBAGLBSA-N 1 1 312.374 -1.814 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001442098545 928927100 /nfs/dbraw/zinc/92/71/00/928927100.db2.gz SQFSTKMXIKCGJP-NXEZZACHSA-N 1 1 313.358 -1.089 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442092679 928927193 /nfs/dbraw/zinc/92/71/93/928927193.db2.gz KAPZIFWNJJOWEY-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)N(CC[N@H+](C)CC(=O)NC(N)=O)C(C)C ZINC001442085049 928927517 /nfs/dbraw/zinc/92/75/17/928927517.db2.gz FDJCESZOTAQXEU-UHFFFAOYSA-N 1 1 315.374 -1.514 20 0 DAADMO CC(=O)NCC(=O)N(CC[N@@H+](C)CC(=O)NC(N)=O)C(C)C ZINC001442085049 928927525 /nfs/dbraw/zinc/92/75/25/928927525.db2.gz FDJCESZOTAQXEU-UHFFFAOYSA-N 1 1 315.374 -1.514 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442088545 928928305 /nfs/dbraw/zinc/92/83/05/928928305.db2.gz DLSFLHPIOYNRAG-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442088545 928928316 /nfs/dbraw/zinc/92/83/16/928928316.db2.gz DLSFLHPIOYNRAG-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C)nc1Cl ZINC001442090496 928928532 /nfs/dbraw/zinc/92/85/32/928928532.db2.gz GZTBUCRDQCIOAA-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C)nc1Cl ZINC001442090496 928928550 /nfs/dbraw/zinc/92/85/50/928928550.db2.gz GZTBUCRDQCIOAA-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1nccn1C ZINC001442131658 928929440 /nfs/dbraw/zinc/92/94/40/928929440.db2.gz SGCXHOBBHFWLAY-SECBINFHSA-N 1 1 320.357 -1.595 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442099151 928929666 /nfs/dbraw/zinc/92/96/66/928929666.db2.gz UHINGMYRSMKOOC-CHWSQXEVSA-N 1 1 311.382 -1.020 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCNC1=O ZINC001442173110 928932425 /nfs/dbraw/zinc/93/24/25/928932425.db2.gz LGHOKQCBSNVSBO-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCNC1=O ZINC001442173110 928932434 /nfs/dbraw/zinc/93/24/34/928932434.db2.gz LGHOKQCBSNVSBO-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001442196902 928934889 /nfs/dbraw/zinc/93/48/89/928934889.db2.gz WHAWFZSVCJBTCG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442217830 928934913 /nfs/dbraw/zinc/93/49/13/928934913.db2.gz RHSMVIJCVXSHDD-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442222242 928935285 /nfs/dbraw/zinc/93/52/85/928935285.db2.gz YXEKABHBWWSOIS-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001442207268 928935554 /nfs/dbraw/zinc/93/55/54/928935554.db2.gz COEVSFRMQWYEOV-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001442207268 928935560 /nfs/dbraw/zinc/93/55/60/928935560.db2.gz COEVSFRMQWYEOV-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442224458 928935578 /nfs/dbraw/zinc/93/55/78/928935578.db2.gz XWNQCXAHZXSLAC-MNOVXSKESA-N 1 1 312.374 -1.246 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@H]1CCCNC1=O ZINC001442188713 928935691 /nfs/dbraw/zinc/93/56/91/928935691.db2.gz QOPUYXJSKODSCZ-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@H]1CCCNC1=O ZINC001442188713 928935701 /nfs/dbraw/zinc/93/57/01/928935701.db2.gz QOPUYXJSKODSCZ-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001442290679 928938007 /nfs/dbraw/zinc/93/80/07/928938007.db2.gz ISXNFDSATAMLGZ-UWVGGRQHSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001442239600 928938239 /nfs/dbraw/zinc/93/82/39/928938239.db2.gz DATRKFHINWTGAK-IDKOKCKLSA-N 1 1 309.374 -1.199 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001442290680 928938426 /nfs/dbraw/zinc/93/84/26/928938426.db2.gz ISXNFDSATAMLGZ-VHSXEESVSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](CCNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001442334726 928939190 /nfs/dbraw/zinc/93/91/90/928939190.db2.gz BMOBPEPOIUIGOH-SECBINFHSA-N 1 1 320.357 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001442364854 928939577 /nfs/dbraw/zinc/93/95/77/928939577.db2.gz CJOSCVMIKOLKDU-SECBINFHSA-N 1 1 302.331 -2.095 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001442364854 928939585 /nfs/dbraw/zinc/93/95/85/928939585.db2.gz CJOSCVMIKOLKDU-SECBINFHSA-N 1 1 302.331 -2.095 20 0 DAADMO CN1CCC[C@H]([N@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001442377170 928942523 /nfs/dbraw/zinc/94/25/23/928942523.db2.gz ONAQSTUAXQJDDC-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001442377170 928942532 /nfs/dbraw/zinc/94/25/32/928942532.db2.gz ONAQSTUAXQJDDC-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001442384548 928942753 /nfs/dbraw/zinc/94/27/53/928942753.db2.gz ZALJWCZUHBWPCB-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001442384548 928942760 /nfs/dbraw/zinc/94/27/60/928942760.db2.gz ZALJWCZUHBWPCB-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC001442377102 928942981 /nfs/dbraw/zinc/94/29/81/928942981.db2.gz KKTKGEVYNUNYAG-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001442378661 928943125 /nfs/dbraw/zinc/94/31/25/928943125.db2.gz LUYROVVLVRQSMU-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001442378661 928943133 /nfs/dbraw/zinc/94/31/33/928943133.db2.gz LUYROVVLVRQSMU-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnnn1C ZINC001442392737 928944067 /nfs/dbraw/zinc/94/40/67/928944067.db2.gz HQWVSJFDNPGKFR-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001442392737 928944079 /nfs/dbraw/zinc/94/40/79/928944079.db2.gz HQWVSJFDNPGKFR-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001442406081 928944157 /nfs/dbraw/zinc/94/41/57/928944157.db2.gz AJLNGQVFGUNIBX-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001442406081 928944160 /nfs/dbraw/zinc/94/41/60/928944160.db2.gz AJLNGQVFGUNIBX-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442377701 928944453 /nfs/dbraw/zinc/94/44/53/928944453.db2.gz PDKNBCRFLDQWGI-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442377701 928944467 /nfs/dbraw/zinc/94/44/67/928944467.db2.gz PDKNBCRFLDQWGI-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442419137 928945830 /nfs/dbraw/zinc/94/58/30/928945830.db2.gz WDFCGOFEOHTCPT-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442419137 928945838 /nfs/dbraw/zinc/94/58/38/928945838.db2.gz WDFCGOFEOHTCPT-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001442410664 928946709 /nfs/dbraw/zinc/94/67/09/928946709.db2.gz MTTMLOMSVZPVFN-QMMMGPOBSA-N 1 1 316.362 -2.193 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001442410664 928946718 /nfs/dbraw/zinc/94/67/18/928946718.db2.gz MTTMLOMSVZPVFN-QMMMGPOBSA-N 1 1 316.362 -2.193 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442484429 928947556 /nfs/dbraw/zinc/94/75/56/928947556.db2.gz GXBXBVDIEHCMME-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442484429 928947567 /nfs/dbraw/zinc/94/75/67/928947567.db2.gz GXBXBVDIEHCMME-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001442455062 928949296 /nfs/dbraw/zinc/94/92/96/928949296.db2.gz NPOFZQSUDPGYKP-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001442455062 928949306 /nfs/dbraw/zinc/94/93/06/928949306.db2.gz NPOFZQSUDPGYKP-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001442455062 928949322 /nfs/dbraw/zinc/94/93/22/928949322.db2.gz NPOFZQSUDPGYKP-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001442496381 928950111 /nfs/dbraw/zinc/95/01/11/928950111.db2.gz ZBUJKRQJZVBWQA-UWVGGRQHSA-N 1 1 320.357 -1.112 20 0 DAADMO COc1nc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)co1 ZINC001442488444 928950635 /nfs/dbraw/zinc/95/06/35/928950635.db2.gz NZHMXRSLUKWVEJ-UHFFFAOYSA-N 1 1 320.371 -1.106 20 0 DAADMO COc1nc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)co1 ZINC001442488444 928950643 /nfs/dbraw/zinc/95/06/43/928950643.db2.gz NZHMXRSLUKWVEJ-UHFFFAOYSA-N 1 1 320.371 -1.106 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)c1C ZINC001442576177 928953427 /nfs/dbraw/zinc/95/34/27/928953427.db2.gz VWKGSDVWEXGATE-NSHDSACASA-N 1 1 321.381 -1.053 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)c1C ZINC001442576177 928953432 /nfs/dbraw/zinc/95/34/32/928953432.db2.gz VWKGSDVWEXGATE-NSHDSACASA-N 1 1 321.381 -1.053 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001442536218 928954184 /nfs/dbraw/zinc/95/41/84/928954184.db2.gz DMGWXITXKFTFOW-LLVKDONJSA-N 1 1 322.369 -1.026 20 0 DAADMO Cc1nc[nH]c1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442597011 928955418 /nfs/dbraw/zinc/95/54/18/928955418.db2.gz RMMPJGLDEIEEDU-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442597011 928955426 /nfs/dbraw/zinc/95/54/26/928955426.db2.gz RMMPJGLDEIEEDU-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)cn1)[C@H]1CCNC1=O ZINC001442609307 928955577 /nfs/dbraw/zinc/95/55/77/928955577.db2.gz IOQAGHCNUCYHOH-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)cn1)[C@H]1CCNC1=O ZINC001442609307 928955583 /nfs/dbraw/zinc/95/55/83/928955583.db2.gz IOQAGHCNUCYHOH-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442601401 928956375 /nfs/dbraw/zinc/95/63/75/928956375.db2.gz HNLMCWAPXKTVAJ-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442601401 928956381 /nfs/dbraw/zinc/95/63/81/928956381.db2.gz HNLMCWAPXKTVAJ-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956762 /nfs/dbraw/zinc/95/67/62/928956762.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001442596465 928956768 /nfs/dbraw/zinc/95/67/68/928956768.db2.gz BHYNREQIOQMWKO-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO Cc1ncoc1C[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001442619253 928956982 /nfs/dbraw/zinc/95/69/82/928956982.db2.gz MTRRQXRVMMIFAT-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO Cc1ncoc1C[N@@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001442619253 928956993 /nfs/dbraw/zinc/95/69/93/928956993.db2.gz MTRRQXRVMMIFAT-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001442607527 928957106 /nfs/dbraw/zinc/95/71/06/928957106.db2.gz WBBIKUJSVWHMOY-IUCAKERBSA-N 1 1 304.372 -2.385 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001442607527 928957118 /nfs/dbraw/zinc/95/71/18/928957118.db2.gz WBBIKUJSVWHMOY-IUCAKERBSA-N 1 1 304.372 -2.385 20 0 DAADMO CC[N@H+](CCNC(=O)CCNC(=O)NC)[C@@H](C)C(=O)NC ZINC001442660889 928959510 /nfs/dbraw/zinc/95/95/10/928959510.db2.gz NGDLPEXJIAXNGN-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(=O)NC)[C@@H](C)C(=O)NC ZINC001442660889 928959514 /nfs/dbraw/zinc/95/95/14/928959514.db2.gz NGDLPEXJIAXNGN-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N(C)C1CC1 ZINC001442637803 928959689 /nfs/dbraw/zinc/95/96/89/928959689.db2.gz WQCASBMISLDSHU-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N(C)C1CC1 ZINC001442637803 928959696 /nfs/dbraw/zinc/95/96/96/928959696.db2.gz WQCASBMISLDSHU-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)N(C)C ZINC001442700765 928961540 /nfs/dbraw/zinc/96/15/40/928961540.db2.gz HXMHHYDIRUNZKH-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)N(C)C ZINC001442700765 928961554 /nfs/dbraw/zinc/96/15/54/928961554.db2.gz HXMHHYDIRUNZKH-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1=O)[C@@H](C)C(=O)NC ZINC001442675791 928962251 /nfs/dbraw/zinc/96/22/51/928962251.db2.gz OPPILOXGJKHNLB-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@@H](C)C(=O)NC ZINC001442675791 928962258 /nfs/dbraw/zinc/96/22/58/928962258.db2.gz OPPILOXGJKHNLB-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442714864 928963332 /nfs/dbraw/zinc/96/33/32/928963332.db2.gz JWMRPZRPXNECBU-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442714864 928963340 /nfs/dbraw/zinc/96/33/40/928963340.db2.gz JWMRPZRPXNECBU-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCn1cncn1 ZINC001442714223 928963743 /nfs/dbraw/zinc/96/37/43/928963743.db2.gz BPVNKKMBPJEMEM-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)N1CCOCC1 ZINC001442739240 928963925 /nfs/dbraw/zinc/96/39/25/928963925.db2.gz HVLBRAUOVWDQEG-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)N1CCOCC1 ZINC001442739240 928963932 /nfs/dbraw/zinc/96/39/32/928963932.db2.gz HVLBRAUOVWDQEG-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CCNC(=O)C1CC1 ZINC001442775450 928965161 /nfs/dbraw/zinc/96/51/61/928965161.db2.gz HTJTULAORUPAIE-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442746866 928965725 /nfs/dbraw/zinc/96/57/25/928965725.db2.gz GTBBCHKEDYGNDQ-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001442785305 928966882 /nfs/dbraw/zinc/96/68/82/928966882.db2.gz QPRZMJUINWTDNE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001442785305 928966886 /nfs/dbraw/zinc/96/68/86/928966886.db2.gz QPRZMJUINWTDNE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001442792333 928968717 /nfs/dbraw/zinc/96/87/17/928968717.db2.gz KLUMHLHRTBZGFQ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001442786727 928969790 /nfs/dbraw/zinc/96/97/90/928969790.db2.gz ODFYKWQLPZGQLE-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@@H+](CCF)C2)c1=O ZINC001442852733 928970685 /nfs/dbraw/zinc/97/06/85/928970685.db2.gz CBVAYPTVDPSCFZ-LLVKDONJSA-N 1 1 312.345 -1.045 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001442851103 928971931 /nfs/dbraw/zinc/97/19/31/928971931.db2.gz HDNJHZNCIRCFIO-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001442856446 928972155 /nfs/dbraw/zinc/97/21/55/928972155.db2.gz PVBPYNOLCWLCSR-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442838810 928972183 /nfs/dbraw/zinc/97/21/83/928972183.db2.gz KHLDCDWLQDZGMP-WCBMZHEXSA-N 1 1 313.358 -1.856 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001442853468 928972993 /nfs/dbraw/zinc/97/29/93/928972993.db2.gz GFUFNJWYRTZRMF-SNVBAGLBSA-N 1 1 300.359 -1.985 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001442873196 928974264 /nfs/dbraw/zinc/97/42/64/928974264.db2.gz SFXKRCUKUVYTNV-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442884403 928974666 /nfs/dbraw/zinc/97/46/66/928974666.db2.gz AJCUDOYIAKBGOC-LLVKDONJSA-N 1 1 322.369 -1.175 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001442882949 928975175 /nfs/dbraw/zinc/97/51/75/928975175.db2.gz ODGODOCKCARGDV-LLVKDONJSA-N 1 1 304.416 -1.112 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001442880025 928975522 /nfs/dbraw/zinc/97/55/22/928975522.db2.gz JKUBTFABQXNJNT-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001442892318 928978560 /nfs/dbraw/zinc/97/85/60/928978560.db2.gz PDVNPAXBCSYXPI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[C@H](C)O ZINC001442967485 928979481 /nfs/dbraw/zinc/97/94/81/928979481.db2.gz SKGSYHNWFDTQCG-UWVGGRQHSA-N 1 1 300.359 -1.207 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442962870 928979907 /nfs/dbraw/zinc/97/99/07/928979907.db2.gz KSGXTJYRROOBMW-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442962870 928979918 /nfs/dbraw/zinc/97/99/18/928979918.db2.gz KSGXTJYRROOBMW-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442962850 928980194 /nfs/dbraw/zinc/98/01/94/928980194.db2.gz KSGXTJYRROOBMW-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442962850 928980201 /nfs/dbraw/zinc/98/02/01/928980201.db2.gz KSGXTJYRROOBMW-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C1CC1)[C@H]1CCN(C)C1=O ZINC001443000048 928984404 /nfs/dbraw/zinc/98/44/04/928984404.db2.gz WRLYOIKIQILFPH-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C1CC1)[C@H]1CCN(C)C1=O ZINC001443000048 928984416 /nfs/dbraw/zinc/98/44/16/928984416.db2.gz WRLYOIKIQILFPH-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cnon3)C2)C1 ZINC001443005810 928984826 /nfs/dbraw/zinc/98/48/26/928984826.db2.gz NBXNOFWVCZXTTF-SNVBAGLBSA-N 1 1 323.353 -1.286 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](CCn2cncn2)C2CC2)NC1=O ZINC001443029096 928986814 /nfs/dbraw/zinc/98/68/14/928986814.db2.gz ODMCYTCKTSUVSO-GFCCVEGCSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC001443027897 928987701 /nfs/dbraw/zinc/98/77/01/928987701.db2.gz ARBJYOHJUOILFV-JTQLQIEISA-N 1 1 324.381 -1.341 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3cnon3)C2)C1 ZINC001443033998 928987943 /nfs/dbraw/zinc/98/79/43/928987943.db2.gz HGCNETKHQVCHSK-SNVBAGLBSA-N 1 1 323.353 -1.286 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001443091728 928991478 /nfs/dbraw/zinc/99/14/78/928991478.db2.gz XRILHGPPXCPDLX-LLVKDONJSA-N 1 1 323.401 -1.644 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001443135752 928992087 /nfs/dbraw/zinc/99/20/87/928992087.db2.gz KEJRUZQSBJYWIA-NSHDSACASA-N 1 1 307.354 -1.152 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443157619 928992428 /nfs/dbraw/zinc/99/24/28/928992428.db2.gz FSYFQSRWZJKGKN-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443187256 928993368 /nfs/dbraw/zinc/99/33/68/928993368.db2.gz WTAIOUIGULNVQS-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443187256 928993377 /nfs/dbraw/zinc/99/33/77/928993377.db2.gz WTAIOUIGULNVQS-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001443214662 928994362 /nfs/dbraw/zinc/99/43/62/928994362.db2.gz DPMRQCILZWASTG-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001443234337 928995821 /nfs/dbraw/zinc/99/58/21/928995821.db2.gz LBSUXPPFHLGHCQ-JTQLQIEISA-N 1 1 317.411 -1.265 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001443272822 928996766 /nfs/dbraw/zinc/99/67/66/928996766.db2.gz PTWHBMQIMJCFJT-NSHDSACASA-N 1 1 324.385 -1.412 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001443240234 928996917 /nfs/dbraw/zinc/99/69/17/928996917.db2.gz IAGFYFPVHLPALU-OUAUKWLOSA-N 1 1 312.370 -1.667 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001443264832 928997179 /nfs/dbraw/zinc/99/71/79/928997179.db2.gz GLHWXYJVJKTYOX-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001443264832 928997186 /nfs/dbraw/zinc/99/71/86/928997186.db2.gz GLHWXYJVJKTYOX-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001443248926 928997201 /nfs/dbraw/zinc/99/72/01/928997201.db2.gz JAFKFEYZKUTVSY-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001443316109 928997944 /nfs/dbraw/zinc/99/79/44/928997944.db2.gz AFQQLSHXKUVLTM-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001443310153 928998245 /nfs/dbraw/zinc/99/82/45/928998245.db2.gz LIQHOKBYWRMXOB-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCF)C1 ZINC001443317179 928998274 /nfs/dbraw/zinc/99/82/74/928998274.db2.gz DLFFXKNFMDYUAS-SNVBAGLBSA-N 1 1 310.395 -1.210 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001443315840 928998809 /nfs/dbraw/zinc/99/88/09/928998809.db2.gz NOLVKHHVLHFUJL-GFCCVEGCSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001443357727 929001143 /nfs/dbraw/zinc/00/11/43/929001143.db2.gz YSCUSOSXNXJRKG-MNOVXSKESA-N 1 1 309.374 -1.283 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001443336463 929001226 /nfs/dbraw/zinc/00/12/26/929001226.db2.gz LUGJTGDEFPTQBT-QWRGUYRKSA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335400 929001392 /nfs/dbraw/zinc/00/13/92/929001392.db2.gz PBAQTOSFMNKIIK-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1)C(N)=O ZINC001443354642 929001654 /nfs/dbraw/zinc/00/16/54/929001654.db2.gz VPKIZIDHIAMFNS-NEPJUHHUSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2nnc(N)n2)CC1 ZINC001443393435 929002946 /nfs/dbraw/zinc/00/29/46/929002946.db2.gz RNGPDBIQLJZPCN-UHFFFAOYSA-N 1 1 310.362 -2.076 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001443440190 929004937 /nfs/dbraw/zinc/00/49/37/929004937.db2.gz VSWIYVGAKLWTAH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001443440190 929004947 /nfs/dbraw/zinc/00/49/47/929004947.db2.gz VSWIYVGAKLWTAH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CC(C)CNC(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001443480644 929007000 /nfs/dbraw/zinc/00/70/00/929007000.db2.gz WHBQLZHMWUFSQF-ZDUSSCGKSA-N 1 1 312.414 -1.110 20 0 DAADMO CC(C)CNC(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001443480644 929007010 /nfs/dbraw/zinc/00/70/10/929007010.db2.gz WHBQLZHMWUFSQF-ZDUSSCGKSA-N 1 1 312.414 -1.110 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC1C[NH+](CC2CC2)C1 ZINC001443481956 929007213 /nfs/dbraw/zinc/00/72/13/929007213.db2.gz WTOQPYQJFGIXDS-UHFFFAOYSA-N 1 1 304.416 -1.065 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001443547964 929011840 /nfs/dbraw/zinc/01/18/40/929011840.db2.gz HJKGDGJRDGAPIG-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001443547964 929011848 /nfs/dbraw/zinc/01/18/48/929011848.db2.gz HJKGDGJRDGAPIG-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO CC(C)NC(=O)NCC[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001443557293 929014468 /nfs/dbraw/zinc/01/44/68/929014468.db2.gz NSDHETFKLHYEJA-UHFFFAOYSA-N 1 1 324.389 -1.571 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)NC1=O ZINC001443602448 929016830 /nfs/dbraw/zinc/01/68/30/929016830.db2.gz REHFBRDJWFMJEO-LBPRGKRZSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001443601742 929017001 /nfs/dbraw/zinc/01/70/01/929017001.db2.gz JBRMCYOAZUKTCP-JTQLQIEISA-N 1 1 324.385 -1.894 20 0 DAADMO O=C(CCn1ccnn1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001443579512 929017360 /nfs/dbraw/zinc/01/73/60/929017360.db2.gz KNVOJCNYMYUJTC-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001443676851 929021183 /nfs/dbraw/zinc/02/11/83/929021183.db2.gz DPCGYJKODBMNCH-UWVGGRQHSA-N 1 1 305.400 -1.408 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001443676851 929021198 /nfs/dbraw/zinc/02/11/98/929021198.db2.gz DPCGYJKODBMNCH-UWVGGRQHSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCS(N)(=O)=O ZINC001443688762 929021573 /nfs/dbraw/zinc/02/15/73/929021573.db2.gz QUASJNGAVIFLLS-QWRGUYRKSA-N 1 1 305.400 -1.013 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001443685891 929021692 /nfs/dbraw/zinc/02/16/92/929021692.db2.gz GDJPVFVKHSRUPT-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001443685891 929021696 /nfs/dbraw/zinc/02/16/96/929021696.db2.gz GDJPVFVKHSRUPT-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001443659328 929021902 /nfs/dbraw/zinc/02/19/02/929021902.db2.gz IXUVFPYWWZIKRG-VIFPVBQESA-N 1 1 320.415 -1.940 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001443736251 929025039 /nfs/dbraw/zinc/02/50/39/929025039.db2.gz VQJDKODFFLDQFU-USWWRNFRSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759816 929025804 /nfs/dbraw/zinc/02/58/04/929025804.db2.gz PEWFLQZDFLTAES-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759816 929025815 /nfs/dbraw/zinc/02/58/15/929025815.db2.gz PEWFLQZDFLTAES-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443745473 929025919 /nfs/dbraw/zinc/02/59/19/929025919.db2.gz UBNHYISZUGQULF-IWSPIJDZSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443745473 929025926 /nfs/dbraw/zinc/02/59/26/929025926.db2.gz UBNHYISZUGQULF-IWSPIJDZSA-N 1 1 311.342 -1.961 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001443804418 929026893 /nfs/dbraw/zinc/02/68/93/929026893.db2.gz RLJZNPBSYXFLNB-NSHDSACASA-N 1 1 304.416 -1.017 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001443795280 929027133 /nfs/dbraw/zinc/02/71/33/929027133.db2.gz MAZJFEXTHXVKLJ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001443772341 929027324 /nfs/dbraw/zinc/02/73/24/929027324.db2.gz YQVKRAAFSLIZSC-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO COCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443804133 929028043 /nfs/dbraw/zinc/02/80/43/929028043.db2.gz OHTPIMWTVGGORH-LLVKDONJSA-N 1 1 324.381 -1.237 20 0 DAADMO COCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443804133 929028058 /nfs/dbraw/zinc/02/80/58/929028058.db2.gz OHTPIMWTVGGORH-LLVKDONJSA-N 1 1 324.381 -1.237 20 0 DAADMO CCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001443806643 929029449 /nfs/dbraw/zinc/02/94/49/929029449.db2.gz WDWJNVBOCPPJKY-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)CNC(N)=O ZINC001443825401 929029875 /nfs/dbraw/zinc/02/98/75/929029875.db2.gz ZIJSLHFBAOEKBV-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443826937 929030153 /nfs/dbraw/zinc/03/01/53/929030153.db2.gz YZCDZHXDTABONE-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443826937 929030166 /nfs/dbraw/zinc/03/01/66/929030166.db2.gz YZCDZHXDTABONE-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443818516 929030273 /nfs/dbraw/zinc/03/02/73/929030273.db2.gz MMXNRRDBNWWGQZ-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)n1C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443818516 929030286 /nfs/dbraw/zinc/03/02/86/929030286.db2.gz MMXNRRDBNWWGQZ-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001443958852 929035271 /nfs/dbraw/zinc/03/52/71/929035271.db2.gz RZNWFYMAHRDRCP-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001443958843 929035715 /nfs/dbraw/zinc/03/57/15/929035715.db2.gz RZNWFYMAHRDRCP-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001443934953 929036512 /nfs/dbraw/zinc/03/65/12/929036512.db2.gz LEODINGHWHJQHQ-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)Cc1nnc(C)[nH]1)[NH2+]Cc1nnnn1C ZINC001443950626 929036819 /nfs/dbraw/zinc/03/68/19/929036819.db2.gz ZXZWLRWHKXDBNR-VIFPVBQESA-N 1 1 307.362 -1.136 20 0 DAADMO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1nncn1C ZINC001444019233 929039475 /nfs/dbraw/zinc/03/94/75/929039475.db2.gz ZWVHQHOADYMFDT-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444062551 929045353 /nfs/dbraw/zinc/04/53/53/929045353.db2.gz BXGXBSZCXHHCGQ-PWSUYJOCSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444062550 929045401 /nfs/dbraw/zinc/04/54/01/929045401.db2.gz BXGXBSZCXHHCGQ-JQWIXIFHSA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103911 929054607 /nfs/dbraw/zinc/05/46/07/929054607.db2.gz IWQLFFCACOSCHH-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103911 929054615 /nfs/dbraw/zinc/05/46/15/929054615.db2.gz IWQLFFCACOSCHH-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444111082 929058246 /nfs/dbraw/zinc/05/82/46/929058246.db2.gz AWYPIGKLDFOGJF-MNOVXSKESA-N 1 1 309.370 -1.279 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1nccnc1N ZINC001444115005 929060496 /nfs/dbraw/zinc/06/04/96/929060496.db2.gz FKKLUBJEWJMXKW-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1nccnc1N ZINC001444114897 929060885 /nfs/dbraw/zinc/06/08/85/929060885.db2.gz FKKLUBJEWJMXKW-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001444117650 929061950 /nfs/dbraw/zinc/06/19/50/929061950.db2.gz JKHHFSLLEAVPBR-NOZJJQNGSA-N 1 1 323.357 -1.307 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001444117652 929062374 /nfs/dbraw/zinc/06/23/74/929062374.db2.gz JKHHFSLLEAVPBR-RNCFNFMXSA-N 1 1 323.357 -1.307 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001444125875 929065555 /nfs/dbraw/zinc/06/55/55/929065555.db2.gz PCCVYFQCFGOETF-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001444125875 929065565 /nfs/dbraw/zinc/06/55/65/929065565.db2.gz PCCVYFQCFGOETF-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001444129594 929065924 /nfs/dbraw/zinc/06/59/24/929065924.db2.gz VTOHEPGRQSAMMC-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nccnc1N ZINC001444131048 929067050 /nfs/dbraw/zinc/06/70/50/929067050.db2.gz UOAVYNFLSQYSFO-UWVGGRQHSA-N 1 1 322.369 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]cn2)C1 ZINC001444181794 929078221 /nfs/dbraw/zinc/07/82/21/929078221.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181794 929078227 /nfs/dbraw/zinc/07/82/27/929078227.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181794 929078233 /nfs/dbraw/zinc/07/82/33/929078233.db2.gz AELOJQZEOQCFHF-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ncccc2O)C1 ZINC001444183489 929078887 /nfs/dbraw/zinc/07/88/87/929078887.db2.gz DAMIKQXZWJDNCY-WDEREUQCSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444184767 929079008 /nfs/dbraw/zinc/07/90/08/929079008.db2.gz GIWDFOXJAYXPAD-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ncccc2O)C1 ZINC001444183484 929079196 /nfs/dbraw/zinc/07/91/96/929079196.db2.gz DAMIKQXZWJDNCY-MNOVXSKESA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ncccc2O)C1 ZINC001444183481 929079328 /nfs/dbraw/zinc/07/93/28/929079328.db2.gz DAMIKQXZWJDNCY-GHMZBOCLSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ncccc2O)C1 ZINC001444183486 929079369 /nfs/dbraw/zinc/07/93/69/929079369.db2.gz DAMIKQXZWJDNCY-QWRGUYRKSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444186946 929080471 /nfs/dbraw/zinc/08/04/71/929080471.db2.gz XNJSPQSXQUTSER-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCn2ccnn2)C1 ZINC001444187365 929081210 /nfs/dbraw/zinc/08/12/10/929081210.db2.gz KGMJGGVZKJPDES-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444189341 929081302 /nfs/dbraw/zinc/08/13/02/929081302.db2.gz MKLDSYKBRCHULF-PWSUYJOCSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001444193670 929081974 /nfs/dbraw/zinc/08/19/74/929081974.db2.gz VFWGPHOLFLODIG-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001444192389 929082501 /nfs/dbraw/zinc/08/25/01/929082501.db2.gz RRAWQZWVDZRNBA-QWRGUYRKSA-N 1 1 310.358 -2.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cnnn1C ZINC001444191406 929083065 /nfs/dbraw/zinc/08/30/65/929083065.db2.gz JRWMPGPKVXRBDP-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001444193672 929083326 /nfs/dbraw/zinc/08/33/26/929083326.db2.gz VFWGPHOLFLODIG-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cnnn1C ZINC001444191404 929083397 /nfs/dbraw/zinc/08/33/97/929083397.db2.gz JRWMPGPKVXRBDP-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001444200739 929084782 /nfs/dbraw/zinc/08/47/82/929084782.db2.gz WMXUIFFOTGKLIK-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001444227293 929089169 /nfs/dbraw/zinc/08/91/69/929089169.db2.gz PVFMQADNICJUJE-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001444222270 929089365 /nfs/dbraw/zinc/08/93/65/929089365.db2.gz HOOAPNSUGBFOJV-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001444246864 929091690 /nfs/dbraw/zinc/09/16/90/929091690.db2.gz FPHHYNFTXUREOK-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001444239675 929091963 /nfs/dbraw/zinc/09/19/63/929091963.db2.gz WFFWKAQMLLVAEV-KOLCDFICSA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001444246855 929092283 /nfs/dbraw/zinc/09/22/83/929092283.db2.gz FPHHYNFTXUREOK-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001444251023 929094876 /nfs/dbraw/zinc/09/48/76/929094876.db2.gz WUUPYVFQVRPODU-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001444251034 929094892 /nfs/dbraw/zinc/09/48/92/929094892.db2.gz ZYMFKLRZYUDNJF-ZOWXZIJZSA-N 1 1 322.365 -1.179 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001444269350 929097375 /nfs/dbraw/zinc/09/73/75/929097375.db2.gz QAFCMTBFYXHEJZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269350 929097383 /nfs/dbraw/zinc/09/73/83/929097383.db2.gz QAFCMTBFYXHEJZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269350 929097392 /nfs/dbraw/zinc/09/73/92/929097392.db2.gz QAFCMTBFYXHEJZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269350 929097403 /nfs/dbraw/zinc/09/74/03/929097403.db2.gz QAFCMTBFYXHEJZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269350 929097413 /nfs/dbraw/zinc/09/74/13/929097413.db2.gz QAFCMTBFYXHEJZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001444269342 929098445 /nfs/dbraw/zinc/09/84/45/929098445.db2.gz QAFCMTBFYXHEJZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269342 929098452 /nfs/dbraw/zinc/09/84/52/929098452.db2.gz QAFCMTBFYXHEJZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269342 929098461 /nfs/dbraw/zinc/09/84/61/929098461.db2.gz QAFCMTBFYXHEJZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269342 929098471 /nfs/dbraw/zinc/09/84/71/929098471.db2.gz QAFCMTBFYXHEJZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269342 929098481 /nfs/dbraw/zinc/09/84/81/929098481.db2.gz QAFCMTBFYXHEJZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1nccnc1N ZINC001444269341 929098538 /nfs/dbraw/zinc/09/85/38/929098538.db2.gz JKNULZJTWLUTHE-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001444269356 929098624 /nfs/dbraw/zinc/09/86/24/929098624.db2.gz QAFCMTBFYXHEJZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269356 929098631 /nfs/dbraw/zinc/09/86/31/929098631.db2.gz QAFCMTBFYXHEJZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001444269356 929098637 /nfs/dbraw/zinc/09/86/37/929098637.db2.gz QAFCMTBFYXHEJZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269356 929098644 /nfs/dbraw/zinc/09/86/44/929098644.db2.gz QAFCMTBFYXHEJZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001444269356 929098652 /nfs/dbraw/zinc/09/86/52/929098652.db2.gz QAFCMTBFYXHEJZ-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001444283552 929101845 /nfs/dbraw/zinc/10/18/45/929101845.db2.gz XLXICZRYXDUPQR-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)[nH]1 ZINC001444313613 929109784 /nfs/dbraw/zinc/10/97/84/929109784.db2.gz RUODQNKPFWBYPB-QMMMGPOBSA-N 1 1 307.362 -1.279 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1[nH]ncc1F ZINC001444312426 929110792 /nfs/dbraw/zinc/11/07/92/929110792.db2.gz VSILGNMBUMKSBN-QMMMGPOBSA-N 1 1 301.322 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001444342921 929114496 /nfs/dbraw/zinc/11/44/96/929114496.db2.gz RLIZFJSLLGTRRB-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001444349127 929115960 /nfs/dbraw/zinc/11/59/60/929115960.db2.gz LZSHTEAEYXOJCS-BDAKNGLRSA-N 1 1 310.362 -1.924 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001444354409 929116452 /nfs/dbraw/zinc/11/64/52/929116452.db2.gz SJXNDWJSPVQVGM-NSHDSACASA-N 1 1 315.370 -1.190 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1nnn(C)n1 ZINC001444419327 929120512 /nfs/dbraw/zinc/12/05/12/929120512.db2.gz ICXDLXVVONTFKN-SECBINFHSA-N 1 1 322.373 -1.597 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001444477690 929125803 /nfs/dbraw/zinc/12/58/03/929125803.db2.gz OLIZTXYQWBXFCX-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001444477690 929125810 /nfs/dbraw/zinc/12/58/10/929125810.db2.gz OLIZTXYQWBXFCX-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001444582493 929129859 /nfs/dbraw/zinc/12/98/59/929129859.db2.gz KFBFANLDEKEZOX-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444604068 929133619 /nfs/dbraw/zinc/13/36/19/929133619.db2.gz XKLRJTUTMRWTCB-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444604068 929133626 /nfs/dbraw/zinc/13/36/26/929133626.db2.gz XKLRJTUTMRWTCB-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001444643392 929138275 /nfs/dbraw/zinc/13/82/75/929138275.db2.gz AXFBKMZFDUMLGK-GXSJLCMTSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001444643398 929138451 /nfs/dbraw/zinc/13/84/51/929138451.db2.gz AXFBKMZFDUMLGK-KOLCDFICSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001444655261 929140642 /nfs/dbraw/zinc/14/06/42/929140642.db2.gz OGELNOIUJJIZLZ-QMMMGPOBSA-N 1 1 308.346 -1.101 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444654632 929140841 /nfs/dbraw/zinc/14/08/41/929140841.db2.gz QLKSBJJHUJFSLW-QWRGUYRKSA-N 1 1 324.385 -1.386 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001444675820 929143971 /nfs/dbraw/zinc/14/39/71/929143971.db2.gz PMTMYILANLPWSZ-VHSXEESVSA-N 1 1 324.389 -1.299 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444709528 929148671 /nfs/dbraw/zinc/14/86/71/929148671.db2.gz SJBUVDOBXUPVCS-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[C@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1nnnn1C ZINC001444940002 929157987 /nfs/dbraw/zinc/15/79/87/929157987.db2.gz RPKVCQMJMFWUGY-VIFPVBQESA-N 1 1 312.378 -1.501 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001444953912 929158079 /nfs/dbraw/zinc/15/80/79/929158079.db2.gz PGIONMYPXURSPU-UHFFFAOYSA-N 1 1 315.374 -1.242 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444988518 929158863 /nfs/dbraw/zinc/15/88/63/929158863.db2.gz MMDFSPZKQAHAPN-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444988518 929158868 /nfs/dbraw/zinc/15/88/68/929158868.db2.gz MMDFSPZKQAHAPN-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001444980813 929159416 /nfs/dbraw/zinc/15/94/16/929159416.db2.gz VIBBTYJQJZGKEL-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001444980813 929159426 /nfs/dbraw/zinc/15/94/26/929159426.db2.gz VIBBTYJQJZGKEL-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001444981397 929159800 /nfs/dbraw/zinc/15/98/00/929159800.db2.gz WSTUSHLUDGPFTF-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001444981397 929159807 /nfs/dbraw/zinc/15/98/07/929159807.db2.gz WSTUSHLUDGPFTF-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)Cn1ncnn1 ZINC001444986099 929160143 /nfs/dbraw/zinc/16/01/43/929160143.db2.gz FXZXMSLCTXFIIM-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)Cn1ncnn1 ZINC001444986099 929160154 /nfs/dbraw/zinc/16/01/54/929160154.db2.gz FXZXMSLCTXFIIM-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)Cc1nnnn1C ZINC001444963387 929160348 /nfs/dbraw/zinc/16/03/48/929160348.db2.gz HOVUDZKJZDUUPP-LLVKDONJSA-N 1 1 311.390 -1.569 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)Cc1nnnn1C ZINC001444963387 929160356 /nfs/dbraw/zinc/16/03/56/929160356.db2.gz HOVUDZKJZDUUPP-LLVKDONJSA-N 1 1 311.390 -1.569 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1csnn1 ZINC001445018153 929162039 /nfs/dbraw/zinc/16/20/39/929162039.db2.gz ALIAKHOTBYDMCM-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1csnn1 ZINC001445018153 929162049 /nfs/dbraw/zinc/16/20/49/929162049.db2.gz ALIAKHOTBYDMCM-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001445040179 929162360 /nfs/dbraw/zinc/16/23/60/929162360.db2.gz YTCXBAJTTWBRGX-UHFFFAOYSA-N 1 1 309.374 -1.164 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001445124841 929164378 /nfs/dbraw/zinc/16/43/78/929164378.db2.gz BHBSZWOACSKHOV-NSHDSACASA-N 1 1 322.373 -1.303 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)cn1 ZINC001445128223 929164979 /nfs/dbraw/zinc/16/49/79/929164979.db2.gz FWRBFUCBCQLKHI-NSHDSACASA-N 1 1 320.357 -1.378 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001445142658 929166162 /nfs/dbraw/zinc/16/61/62/929166162.db2.gz ZCJPKKKQAJQRPD-SSDOTTSWSA-N 1 1 308.385 -1.851 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O)nn1 ZINC001445137871 929166352 /nfs/dbraw/zinc/16/63/52/929166352.db2.gz JGFZOIBUMXHPNI-JOYOIKCWSA-N 1 1 312.374 -1.611 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)nc1 ZINC001445141199 929167466 /nfs/dbraw/zinc/16/74/66/929167466.db2.gz ZAJKWKXJMKMPOF-LBPRGKRZSA-N 1 1 321.381 -1.026 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC001445148621 929168868 /nfs/dbraw/zinc/16/88/68/929168868.db2.gz VFFBXEFEMOXPRZ-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001445146996 929169269 /nfs/dbraw/zinc/16/92/69/929169269.db2.gz IYSIJPKRTBQBRX-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001445147386 929169675 /nfs/dbraw/zinc/16/96/75/929169675.db2.gz CRFFGNWNMHMVHY-SNVBAGLBSA-N 1 1 312.374 -1.264 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cscn1)[C@@H]1COC(=O)N1 ZINC001445152908 929170998 /nfs/dbraw/zinc/17/09/98/929170998.db2.gz JUMXCGVDIFJJHL-BDAKNGLRSA-N 1 1 300.340 -1.182 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001445154059 929171436 /nfs/dbraw/zinc/17/14/36/929171436.db2.gz IIZOFVPPSHYCRK-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001445154059 929171441 /nfs/dbraw/zinc/17/14/41/929171441.db2.gz IIZOFVPPSHYCRK-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445153128 929172207 /nfs/dbraw/zinc/17/22/07/929172207.db2.gz KKNBXVVMMXNMFB-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ncn1 ZINC001445158132 929172383 /nfs/dbraw/zinc/17/23/83/929172383.db2.gz QMATVJXJUUYNGJ-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)cnn1 ZINC001445160123 929173228 /nfs/dbraw/zinc/17/32/28/929173228.db2.gz QYTJYKQWVCXZEJ-ONGXEEELSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001445161776 929174060 /nfs/dbraw/zinc/17/40/60/929174060.db2.gz YJLRESRQPXQSJK-NXEZZACHSA-N 1 1 309.330 -1.203 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)[nH]1 ZINC001445159428 929174379 /nfs/dbraw/zinc/17/43/79/929174379.db2.gz UESNBFZDMLNEEL-NSHDSACASA-N 1 1 312.374 -1.988 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)nn1 ZINC001445159176 929174405 /nfs/dbraw/zinc/17/44/05/929174405.db2.gz SANPINQIPSRRQM-LBPRGKRZSA-N 1 1 312.374 -2.286 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCCNC2=O)n[nH]1 ZINC001445176027 929175733 /nfs/dbraw/zinc/17/57/33/929175733.db2.gz GIKJWWKOKXELOB-UWVGGRQHSA-N 1 1 310.358 -1.999 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)n[nH]1 ZINC001445174425 929176207 /nfs/dbraw/zinc/17/62/07/929176207.db2.gz BUOHDFAIHLEAHI-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCNC2=O)n[nH]1 ZINC001445176029 929176882 /nfs/dbraw/zinc/17/68/82/929176882.db2.gz GIKJWWKOKXELOB-VHSXEESVSA-N 1 1 310.358 -1.999 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445174607 929176920 /nfs/dbraw/zinc/17/69/20/929176920.db2.gz AVYCCDMVYZHHLA-JTQLQIEISA-N 1 1 313.362 -2.299 20 0 DAADMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)o1 ZINC001445182799 929177572 /nfs/dbraw/zinc/17/75/72/929177572.db2.gz NJFUQJPKXLYMGS-UWVGGRQHSA-N 1 1 309.330 -1.203 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001445185561 929177720 /nfs/dbraw/zinc/17/77/20/929177720.db2.gz KGROWGZQZSLNIM-HBNTYKKESA-N 1 1 309.370 -1.284 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)nn1 ZINC001445188040 929180118 /nfs/dbraw/zinc/18/01/18/929180118.db2.gz OXCODRFARUJTGO-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001445188564 929180425 /nfs/dbraw/zinc/18/04/25/929180425.db2.gz KAPHBXVRYWGBJN-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)nn1 ZINC001445188037 929181222 /nfs/dbraw/zinc/18/12/22/929181222.db2.gz OXCODRFARUJTGO-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)nn1 ZINC001445188039 929181255 /nfs/dbraw/zinc/18/12/55/929181255.db2.gz OXCODRFARUJTGO-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1(F)CCOCC1 ZINC001445199058 929182668 /nfs/dbraw/zinc/18/26/68/929182668.db2.gz LHSAABCVOVMFAJ-JTQLQIEISA-N 1 1 315.349 -1.100 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001445193833 929182751 /nfs/dbraw/zinc/18/27/51/929182751.db2.gz YVKUXOGAIQIWQA-VIFPVBQESA-N 1 1 317.371 -2.574 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445199282 929182902 /nfs/dbraw/zinc/18/29/02/929182902.db2.gz UUJLNFUZGUNMAQ-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001445193952 929183048 /nfs/dbraw/zinc/18/30/48/929183048.db2.gz QUESVNYYQYJFHI-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445201140 929185024 /nfs/dbraw/zinc/18/50/24/929185024.db2.gz JVVAXCYUZMLNOG-SECBINFHSA-N 1 1 312.374 -1.210 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001445206575 929185040 /nfs/dbraw/zinc/18/50/40/929185040.db2.gz LMANLSZLDYUDOR-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO COc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)co1 ZINC001445202193 929185086 /nfs/dbraw/zinc/18/50/86/929185086.db2.gz IONFTXMPEIONCZ-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nc1 ZINC001445203190 929185249 /nfs/dbraw/zinc/18/52/49/929185249.db2.gz CEZOSIQXZWSNLG-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001445206037 929185417 /nfs/dbraw/zinc/18/54/17/929185417.db2.gz OQSFINHYCBPFRG-JTQLQIEISA-N 1 1 322.373 -1.559 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445210615 929186298 /nfs/dbraw/zinc/18/62/98/929186298.db2.gz URZPWTOGMIJBHI-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO COCC1(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001445210584 929186582 /nfs/dbraw/zinc/18/65/82/929186582.db2.gz MTZVQOUSVLLQRJ-ZJUUUORDSA-N 1 1 312.374 -1.236 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001445211591 929186852 /nfs/dbraw/zinc/18/68/52/929186852.db2.gz QCHBRMFYBZASJI-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cncn1C)c1nnnn1C ZINC001445212125 929186967 /nfs/dbraw/zinc/18/69/67/929186967.db2.gz WNAYBTOKBARWAB-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445209975 929187111 /nfs/dbraw/zinc/18/71/11/929187111.db2.gz SKFFBDUUIIAMGK-UWVGGRQHSA-N 1 1 312.374 -1.260 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001445210241 929187212 /nfs/dbraw/zinc/18/72/12/929187212.db2.gz VWPVDUQMHWEANZ-SNVBAGLBSA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001445210237 929187362 /nfs/dbraw/zinc/18/73/62/929187362.db2.gz VWPVDUQMHWEANZ-JTQLQIEISA-N 1 1 322.373 -1.857 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001445213592 929188828 /nfs/dbraw/zinc/18/88/28/929188828.db2.gz RSKVQVADLRBLOH-NSHDSACASA-N 1 1 317.367 -1.324 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001445216642 929189400 /nfs/dbraw/zinc/18/94/00/929189400.db2.gz VEZBZUTYGHOJMP-STQMWFEESA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001445219364 929191559 /nfs/dbraw/zinc/19/15/59/929191559.db2.gz YQENJQIWYHOENR-WDMOLILDSA-N 1 1 324.385 -1.264 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1C ZINC001445220416 929192045 /nfs/dbraw/zinc/19/20/45/929192045.db2.gz WOIPQUSPROHUNX-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001445227563 929193708 /nfs/dbraw/zinc/19/37/08/929193708.db2.gz UXVJAIKJRULPDQ-JTQLQIEISA-N 1 1 323.357 -1.382 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1)c1nnnn1C ZINC001445236199 929195954 /nfs/dbraw/zinc/19/59/54/929195954.db2.gz HLDNISCMMIYOFQ-MWLCHTKSSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001445235540 929196018 /nfs/dbraw/zinc/19/60/18/929196018.db2.gz ANFCBDLPUNLTQV-SCZZXKLOSA-N 1 1 320.371 -1.821 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001445241696 929196659 /nfs/dbraw/zinc/19/66/59/929196659.db2.gz UAGPMNVTXBXNCU-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]c1)c1nnnn1C ZINC001445236194 929196769 /nfs/dbraw/zinc/19/67/69/929196769.db2.gz HLDNISCMMIYOFQ-KOLCDFICSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]1 ZINC001445237518 929197295 /nfs/dbraw/zinc/19/72/95/929197295.db2.gz CFOJHZRJOJPQON-PSASIEDQSA-N 1 1 322.373 -1.008 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001445247709 929198002 /nfs/dbraw/zinc/19/80/02/929198002.db2.gz FFJCDDQVQPYCLB-BDAKNGLRSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001445247709 929198015 /nfs/dbraw/zinc/19/80/15/929198015.db2.gz FFJCDDQVQPYCLB-BDAKNGLRSA-N 1 1 306.330 -1.736 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001445242251 929199333 /nfs/dbraw/zinc/19/93/33/929199333.db2.gz KAYVYRAVYWGWHE-QWRGUYRKSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001445242251 929199338 /nfs/dbraw/zinc/19/93/38/929199338.db2.gz KAYVYRAVYWGWHE-QWRGUYRKSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001445242255 929199362 /nfs/dbraw/zinc/19/93/62/929199362.db2.gz KAYVYRAVYWGWHE-WDEREUQCSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001445242255 929199365 /nfs/dbraw/zinc/19/93/65/929199365.db2.gz KAYVYRAVYWGWHE-WDEREUQCSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C ZINC001445249810 929200225 /nfs/dbraw/zinc/20/02/25/929200225.db2.gz HYOKUZHFOKVYGZ-DTWKUNHWSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC(C)(C)C ZINC001445249810 929200242 /nfs/dbraw/zinc/20/02/42/929200242.db2.gz HYOKUZHFOKVYGZ-DTWKUNHWSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C ZINC001445249824 929200626 /nfs/dbraw/zinc/20/06/26/929200626.db2.gz HYOKUZHFOKVYGZ-RKDXNWHRSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC(C)(C)C ZINC001445249824 929200641 /nfs/dbraw/zinc/20/06/41/929200641.db2.gz HYOKUZHFOKVYGZ-RKDXNWHRSA-N 1 1 312.374 -1.212 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C)o1 ZINC001445250338 929201598 /nfs/dbraw/zinc/20/15/98/929201598.db2.gz UDDXEPCZCLXBNW-AXFHLTTASA-N 1 1 310.354 -1.020 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001445253526 929201697 /nfs/dbraw/zinc/20/16/97/929201697.db2.gz WNMBBMMAXOYHND-QWRGUYRKSA-N 1 1 312.374 -1.405 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)N1CCCCC1 ZINC001445256049 929201976 /nfs/dbraw/zinc/20/19/76/929201976.db2.gz PRTIGKOFKOEANB-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)N1CCCCC1 ZINC001445256049 929201990 /nfs/dbraw/zinc/20/19/90/929201990.db2.gz PRTIGKOFKOEANB-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)c(C)o1 ZINC001445250340 929202623 /nfs/dbraw/zinc/20/26/23/929202623.db2.gz UDDXEPCZCLXBNW-MXWKQRLJSA-N 1 1 310.354 -1.020 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c(C)n1 ZINC001445258647 929202954 /nfs/dbraw/zinc/20/29/54/929202954.db2.gz SCRSXGJEHHSPNY-SNVBAGLBSA-N 1 1 320.357 -1.503 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001445262467 929205378 /nfs/dbraw/zinc/20/53/78/929205378.db2.gz YQQWORHGZQPGGE-NSHDSACASA-N 1 1 313.358 -1.201 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cc(C)on1 ZINC001445270077 929205749 /nfs/dbraw/zinc/20/57/49/929205749.db2.gz GINKFZRYDWMEPU-SNVBAGLBSA-N 1 1 320.371 -1.901 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001445270575 929206089 /nfs/dbraw/zinc/20/60/89/929206089.db2.gz MHYURWWSEFFMBL-VIFPVBQESA-N 1 1 322.325 -1.648 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445267711 929206182 /nfs/dbraw/zinc/20/61/82/929206182.db2.gz FLCHWUFRNBHSHQ-SNVBAGLBSA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1ncnc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445267524 929206434 /nfs/dbraw/zinc/20/64/34/929206434.db2.gz ANRRGWNRCZJQGY-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nncn2C)nn1 ZINC001445272251 929208780 /nfs/dbraw/zinc/20/87/80/929208780.db2.gz JQIYVSXVPLHEND-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)nn1 ZINC001445275774 929209770 /nfs/dbraw/zinc/20/97/70/929209770.db2.gz IHTVKGPKISULSI-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)nn1 ZINC001445273427 929210563 /nfs/dbraw/zinc/21/05/63/929210563.db2.gz PXOIVCQDJWCOIQ-GFCCVEGCSA-N 1 1 322.373 -1.283 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001445279650 929211255 /nfs/dbraw/zinc/21/12/55/929211255.db2.gz MPCWHYZMWKAFNI-QMMMGPOBSA-N 1 1 308.346 -1.624 20 0 DAADMO Cc1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001445279790 929211421 /nfs/dbraw/zinc/21/14/21/929211421.db2.gz ZWNMYGFYMALNMU-LBPRGKRZSA-N 1 1 319.369 -1.277 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1 ZINC001445279588 929211614 /nfs/dbraw/zinc/21/16/14/929211614.db2.gz ZMJHGFUOUUUFHC-GFCCVEGCSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001445282598 929211803 /nfs/dbraw/zinc/21/18/03/929211803.db2.gz XALFHFUBQORXEG-LBPRGKRZSA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001445279783 929211831 /nfs/dbraw/zinc/21/18/31/929211831.db2.gz ZWNMYGFYMALNMU-GFCCVEGCSA-N 1 1 319.369 -1.277 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001445278139 929211883 /nfs/dbraw/zinc/21/18/83/929211883.db2.gz XNLXTUGETSJUSO-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@H]1CCS(=O)(=O)N1 ZINC001445282431 929212338 /nfs/dbraw/zinc/21/23/38/929212338.db2.gz ZPGRFZMRINIUMO-NXEZZACHSA-N 1 1 318.355 -2.067 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCS(=O)(=O)N1 ZINC001445282439 929213626 /nfs/dbraw/zinc/21/36/26/929213626.db2.gz ZPGRFZMRINIUMO-ZJUUUORDSA-N 1 1 318.355 -2.067 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC001445295328 929215446 /nfs/dbraw/zinc/21/54/46/929215446.db2.gz JADLXVJBMITYOC-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC001445295332 929215788 /nfs/dbraw/zinc/21/57/88/929215788.db2.gz JADLXVJBMITYOC-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC001445295326 929216294 /nfs/dbraw/zinc/21/62/94/929216294.db2.gz JADLXVJBMITYOC-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN(C)S(C)(=O)=O ZINC001445382679 929217707 /nfs/dbraw/zinc/21/77/07/929217707.db2.gz MBCLMRHWSZAWEH-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001445398390 929221605 /nfs/dbraw/zinc/22/16/05/929221605.db2.gz VNHHNQIKLKDZIG-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445506521 929228673 /nfs/dbraw/zinc/22/86/73/929228673.db2.gz WVLZTUHJECHWOC-HTQZYQBOSA-N 1 1 317.375 -2.504 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001445514761 929230574 /nfs/dbraw/zinc/23/05/74/929230574.db2.gz VTZTXPKZABEMKO-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001445514761 929230585 /nfs/dbraw/zinc/23/05/85/929230585.db2.gz VTZTXPKZABEMKO-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001445514761 929230600 /nfs/dbraw/zinc/23/06/00/929230600.db2.gz VTZTXPKZABEMKO-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001445514761 929230613 /nfs/dbraw/zinc/23/06/13/929230613.db2.gz VTZTXPKZABEMKO-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001445514761 929230627 /nfs/dbraw/zinc/23/06/27/929230627.db2.gz VTZTXPKZABEMKO-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001445526987 929232617 /nfs/dbraw/zinc/23/26/17/929232617.db2.gz XBUBWUYMKQQPPO-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001445526987 929232628 /nfs/dbraw/zinc/23/26/28/929232628.db2.gz XBUBWUYMKQQPPO-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1cnn[nH]1 ZINC001445580018 929235072 /nfs/dbraw/zinc/23/50/72/929235072.db2.gz FJYYNPXVJSYCBX-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001445554332 929235329 /nfs/dbraw/zinc/23/53/29/929235329.db2.gz NDQGWFXOUPQLIZ-QMMMGPOBSA-N 1 1 319.391 -2.304 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001445601419 929239220 /nfs/dbraw/zinc/23/92/20/929239220.db2.gz BRAGAWHVEDKOLS-ZMLRMANQSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001445597384 929239493 /nfs/dbraw/zinc/23/94/93/929239493.db2.gz YMVMESWNGHYVRS-QWRGUYRKSA-N 1 1 323.401 -1.598 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](O)C1 ZINC001445651937 929247462 /nfs/dbraw/zinc/24/74/62/929247462.db2.gz ULZICOAUHHKFJQ-MBNYWOFBSA-N 1 1 324.381 -1.104 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)C[C@H](C)NC(N)=O ZINC001445716135 929251779 /nfs/dbraw/zinc/25/17/79/929251779.db2.gz HCKCIHOUZRYQKG-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)C[C@H](C)NC(N)=O ZINC001445716135 929251787 /nfs/dbraw/zinc/25/17/87/929251787.db2.gz HCKCIHOUZRYQKG-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445681935 929253033 /nfs/dbraw/zinc/25/30/33/929253033.db2.gz ATMMCFGSXBHHRS-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445681935 929253045 /nfs/dbraw/zinc/25/30/45/929253045.db2.gz ATMMCFGSXBHHRS-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001445731695 929253860 /nfs/dbraw/zinc/25/38/60/929253860.db2.gz LEZGHDFTSOTDBC-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001445740515 929254676 /nfs/dbraw/zinc/25/46/76/929254676.db2.gz IGCLDKSBZMIFQD-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001445740515 929254684 /nfs/dbraw/zinc/25/46/84/929254684.db2.gz IGCLDKSBZMIFQD-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001445744288 929255713 /nfs/dbraw/zinc/25/57/13/929255713.db2.gz UWUIQUWFDLMHQL-SNVBAGLBSA-N 1 1 314.390 -1.623 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001445771935 929256615 /nfs/dbraw/zinc/25/66/15/929256615.db2.gz WRKISUIALHOEHM-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001445771935 929256626 /nfs/dbraw/zinc/25/66/26/929256626.db2.gz WRKISUIALHOEHM-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001445787017 929257374 /nfs/dbraw/zinc/25/73/74/929257374.db2.gz JEUUJJKCAIQNNQ-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445786630 929257488 /nfs/dbraw/zinc/25/74/88/929257488.db2.gz LAEFYQJPEHJGRJ-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001445754451 929257930 /nfs/dbraw/zinc/25/79/30/929257930.db2.gz QEWKTNKBPRFSBE-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001445777154 929258666 /nfs/dbraw/zinc/25/86/66/929258666.db2.gz AFMPXEJXYPYPQR-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001445777154 929258674 /nfs/dbraw/zinc/25/86/74/929258674.db2.gz AFMPXEJXYPYPQR-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001445754454 929258768 /nfs/dbraw/zinc/25/87/68/929258768.db2.gz QEWKTNKBPRFSBE-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CNS(=O)(=O)N(C)C ZINC001445823464 929261437 /nfs/dbraw/zinc/26/14/37/929261437.db2.gz VQVYHZFROJVVRC-ZJUUUORDSA-N 1 1 310.420 -1.800 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)nn21 ZINC001445858298 929262029 /nfs/dbraw/zinc/26/20/29/929262029.db2.gz KLRUVSYNFALTOA-MRVPVSSYSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)nn21 ZINC001445858298 929262039 /nfs/dbraw/zinc/26/20/39/929262039.db2.gz KLRUVSYNFALTOA-MRVPVSSYSA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@@H](C[N@H+](C)CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001445870406 929262953 /nfs/dbraw/zinc/26/29/53/929262953.db2.gz MXZAENZHMQYRHA-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001445870406 929262963 /nfs/dbraw/zinc/26/29/63/929262963.db2.gz MXZAENZHMQYRHA-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001445876711 929263044 /nfs/dbraw/zinc/26/30/44/929263044.db2.gz UJASIMWVUCGZLA-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001445927094 929264708 /nfs/dbraw/zinc/26/47/08/929264708.db2.gz FLDBLYMTYGNTRB-KCJUWKMLSA-N 1 1 309.374 -1.281 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001446028673 929267191 /nfs/dbraw/zinc/26/71/91/929267191.db2.gz MBQUHUNLIOXVIV-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001445979716 929268039 /nfs/dbraw/zinc/26/80/39/929268039.db2.gz AQTPKHKXKAZTQM-QWRGUYRKSA-N 1 1 321.385 -1.137 20 0 DAADMO CCN(C)C(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001446033206 929270699 /nfs/dbraw/zinc/27/06/99/929270699.db2.gz DNAMILBCZMAAIS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001446033206 929270707 /nfs/dbraw/zinc/27/07/07/929270707.db2.gz DNAMILBCZMAAIS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001446057870 929272195 /nfs/dbraw/zinc/27/21/95/929272195.db2.gz ZDELITKDRZENNY-GFCCVEGCSA-N 1 1 300.403 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)OC ZINC001446079045 929272460 /nfs/dbraw/zinc/27/24/60/929272460.db2.gz WVUUYYYNXKTUFZ-NXEZZACHSA-N 1 1 308.404 -1.734 20 0 DAADMO CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001446118537 929274716 /nfs/dbraw/zinc/27/47/16/929274716.db2.gz CIZSWZAUOWCRCP-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CNC(=O)C3CC3)CC2)nc1=O ZINC001446162082 929277151 /nfs/dbraw/zinc/27/71/51/929277151.db2.gz XRSWQASCFOFDSM-UHFFFAOYSA-N 1 1 322.369 -1.627 20 0 DAADMO Cc1nc(CC(=O)NCC2([NH2+]CCS(C)(=O)=O)CC2)n[nH]1 ZINC001446173290 929278869 /nfs/dbraw/zinc/27/88/69/929278869.db2.gz YWPRMLAQUVSWFC-UHFFFAOYSA-N 1 1 315.399 -1.061 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001446201802 929279531 /nfs/dbraw/zinc/27/95/31/929279531.db2.gz FDJFPYYQDZMNKP-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001446201802 929279543 /nfs/dbraw/zinc/27/95/43/929279543.db2.gz FDJFPYYQDZMNKP-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001446201802 929279555 /nfs/dbraw/zinc/27/95/55/929279555.db2.gz FDJFPYYQDZMNKP-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001446201799 929279758 /nfs/dbraw/zinc/27/97/58/929279758.db2.gz FDJFPYYQDZMNKP-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001446201799 929279770 /nfs/dbraw/zinc/27/97/70/929279770.db2.gz FDJFPYYQDZMNKP-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001446201799 929279778 /nfs/dbraw/zinc/27/97/78/929279778.db2.gz FDJFPYYQDZMNKP-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)nc1=O ZINC001446228621 929283584 /nfs/dbraw/zinc/28/35/84/929283584.db2.gz ZKFPIALEZSMLJI-RKDXNWHRSA-N 1 1 322.369 -1.642 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)nc1=O ZINC001446228619 929284245 /nfs/dbraw/zinc/28/42/45/929284245.db2.gz ZKFPIALEZSMLJI-DTWKUNHWSA-N 1 1 322.369 -1.642 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(NCc3nnn(C)n3)CC2)C1 ZINC001446298776 929286100 /nfs/dbraw/zinc/28/61/00/929286100.db2.gz QTFBMHGVXKQRHO-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(NCc3nnn(C)n3)CC2)C1 ZINC001446298776 929286106 /nfs/dbraw/zinc/28/61/06/929286106.db2.gz QTFBMHGVXKQRHO-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001446359302 929288092 /nfs/dbraw/zinc/28/80/92/929288092.db2.gz BVKREKDKLIIBEJ-NXEZZACHSA-N 1 1 307.416 -1.162 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001446359308 929288161 /nfs/dbraw/zinc/28/81/61/929288161.db2.gz BVKREKDKLIIBEJ-VHSXEESVSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001446398437 929288793 /nfs/dbraw/zinc/28/87/93/929288793.db2.gz KLOBUVALLXAMAF-JQWIXIFHSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(CC(=O)NC(=O)NC)C1 ZINC001446397980 929290473 /nfs/dbraw/zinc/29/04/73/929290473.db2.gz KOYXIURYRXFXJQ-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CC1(NC(=O)CCCS(N)(=O)=O)CC[NH+](CC(N)=O)CC1 ZINC001446469171 929293275 /nfs/dbraw/zinc/29/32/75/929293275.db2.gz JTVFGTSAALAYSP-UHFFFAOYSA-N 1 1 320.415 -1.489 20 0 DAADMO COCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001446503148 929295146 /nfs/dbraw/zinc/29/51/46/929295146.db2.gz AYYOYFXGSCDVQD-OAHLLOKOSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001446503148 929295160 /nfs/dbraw/zinc/29/51/60/929295160.db2.gz AYYOYFXGSCDVQD-OAHLLOKOSA-N 1 1 324.381 -1.189 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001446506623 929295224 /nfs/dbraw/zinc/29/52/24/929295224.db2.gz PGOFYZSGUMGGRR-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001446524215 929295689 /nfs/dbraw/zinc/29/56/89/929295689.db2.gz GNTATIUXAQQEFK-IINYFYTJSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001446530947 929296518 /nfs/dbraw/zinc/29/65/18/929296518.db2.gz HPYBITBDUCQVKA-CYBMUJFWSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001446530947 929296526 /nfs/dbraw/zinc/29/65/26/929296526.db2.gz HPYBITBDUCQVKA-CYBMUJFWSA-N 1 1 323.357 -2.296 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001446519929 929296569 /nfs/dbraw/zinc/29/65/69/929296569.db2.gz LDVZBSMHMUSTNV-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO COC(=O)NCC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001446513117 929296911 /nfs/dbraw/zinc/29/69/11/929296911.db2.gz MRVIGXPKAKJEMM-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001446524213 929296976 /nfs/dbraw/zinc/29/69/76/929296976.db2.gz GNTATIUXAQQEFK-HZMBPMFUSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@]1(NC(=O)CN2CCCNC2=O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446544261 929297963 /nfs/dbraw/zinc/29/79/63/929297963.db2.gz YDZUITKEKSRRNO-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)CN2CCCNC2=O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446544261 929297975 /nfs/dbraw/zinc/29/79/75/929297975.db2.gz YDZUITKEKSRRNO-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446542467 929298757 /nfs/dbraw/zinc/29/87/57/929298757.db2.gz UVXSZOIZBJLMPZ-QMTHXVAHSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446542467 929298765 /nfs/dbraw/zinc/29/87/65/929298765.db2.gz UVXSZOIZBJLMPZ-QMTHXVAHSA-N 1 1 314.386 -1.454 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)CCNC(N)=O)C2)C1=O ZINC001446570192 929300073 /nfs/dbraw/zinc/30/00/73/929300073.db2.gz ZDHQRSJTHCZPNR-YGRLFVJLSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cnnn3C)C2)n1 ZINC001446573830 929300534 /nfs/dbraw/zinc/30/05/34/929300534.db2.gz HFTYXVIHPWSJMS-ZDUSSCGKSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001446602658 929300874 /nfs/dbraw/zinc/30/08/74/929300874.db2.gz PNDYLKZQAPXZQI-CYBMUJFWSA-N 1 1 319.373 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001446578764 929301467 /nfs/dbraw/zinc/30/14/67/929301467.db2.gz RDTXIMGZYVTJPW-GFCCVEGCSA-N 1 1 305.346 -1.030 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)Cc2n[nH]c(C)n2)CCOCC1 ZINC001446703065 929302778 /nfs/dbraw/zinc/30/27/78/929302778.db2.gz POLQUEOJRZNJJP-UHFFFAOYSA-N 1 1 324.385 -1.343 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnccn1 ZINC001446738641 929304628 /nfs/dbraw/zinc/30/46/28/929304628.db2.gz HUTFYPSXLUVHBY-IUODEOHRSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnccn1 ZINC001446738656 929304673 /nfs/dbraw/zinc/30/46/73/929304673.db2.gz HUTFYPSXLUVHBY-WFASDCNBSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001446738659 929305327 /nfs/dbraw/zinc/30/53/27/929305327.db2.gz QLLNHWUTPZDSDS-RISCZKNCSA-N 1 1 312.370 -1.108 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001446734247 929306034 /nfs/dbraw/zinc/30/60/34/929306034.db2.gz FSQSQIHBNKSATQ-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001446734247 929306046 /nfs/dbraw/zinc/30/60/46/929306046.db2.gz FSQSQIHBNKSATQ-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001446731327 929306144 /nfs/dbraw/zinc/30/61/44/929306144.db2.gz AHDLTXLFZTXIJO-TZMCWYRMSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001446731319 929306602 /nfs/dbraw/zinc/30/66/02/929306602.db2.gz AHDLTXLFZTXIJO-JSGCOSHPSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)F)C1 ZINC001446717792 929306951 /nfs/dbraw/zinc/30/69/51/929306951.db2.gz AZOLEMGBHYAKHJ-CYBMUJFWSA-N 1 1 318.349 -1.257 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)F)C1 ZINC001446717792 929306961 /nfs/dbraw/zinc/30/69/61/929306961.db2.gz AZOLEMGBHYAKHJ-CYBMUJFWSA-N 1 1 318.349 -1.257 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001446741648 929308049 /nfs/dbraw/zinc/30/80/49/929308049.db2.gz XRHNDUXVUHAOFY-SMDDNHRTSA-N 1 1 307.354 -1.193 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001446741762 929308193 /nfs/dbraw/zinc/30/81/93/929308193.db2.gz SNZQSYSVTIFWNJ-IAQYHMDHSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001446741762 929308201 /nfs/dbraw/zinc/30/82/01/929308201.db2.gz SNZQSYSVTIFWNJ-IAQYHMDHSA-N 1 1 323.397 -1.002 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001446740582 929308777 /nfs/dbraw/zinc/30/87/77/929308777.db2.gz UGLOOKGYELVOQD-UKRRQHHQSA-N 1 1 314.382 -1.107 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446744874 929309761 /nfs/dbraw/zinc/30/97/61/929309761.db2.gz YGQWRLDDMJQKNQ-RISCZKNCSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1ncc(CN2CC[C@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001446746380 929309866 /nfs/dbraw/zinc/30/98/66/929309866.db2.gz OYISQOPRBXRTAF-ZFWWWQNUSA-N 1 1 322.413 -1.038 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001446746926 929310091 /nfs/dbraw/zinc/31/00/91/929310091.db2.gz AHXOVXNAMKNHAN-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001446741824 929310169 /nfs/dbraw/zinc/31/01/69/929310169.db2.gz SBXRGQPTZYCHPD-WFASDCNBSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001446747776 929310472 /nfs/dbraw/zinc/31/04/72/929310472.db2.gz LLHZNDHICJODSY-IUODEOHRSA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446750129 929310867 /nfs/dbraw/zinc/31/08/67/929310867.db2.gz DGGKFYVZPQJEBR-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446750129 929310876 /nfs/dbraw/zinc/31/08/76/929310876.db2.gz DGGKFYVZPQJEBR-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446739794 929310929 /nfs/dbraw/zinc/31/09/29/929310929.db2.gz UQZHETASUCJHDO-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC001446757702 929311238 /nfs/dbraw/zinc/31/12/38/929311238.db2.gz XQJIZZOEYYIYPI-GFCCVEGCSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC001446757702 929311253 /nfs/dbraw/zinc/31/12/53/929311253.db2.gz XQJIZZOEYYIYPI-GFCCVEGCSA-N 1 1 306.384 -2.034 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446755501 929311562 /nfs/dbraw/zinc/31/15/62/929311562.db2.gz BHKOFLRLJFMPET-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446755501 929311574 /nfs/dbraw/zinc/31/15/74/929311574.db2.gz BHKOFLRLJFMPET-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001446755170 929312499 /nfs/dbraw/zinc/31/24/99/929312499.db2.gz FYBYCIXTAUKIJM-AWEZNQCLSA-N 1 1 310.354 -1.088 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001446759090 929312877 /nfs/dbraw/zinc/31/28/77/929312877.db2.gz ZSNRYPLONMYCEK-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446759507 929313005 /nfs/dbraw/zinc/31/30/05/929313005.db2.gz DTGDJHAKVQMKFD-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446759507 929313010 /nfs/dbraw/zinc/31/30/10/929313010.db2.gz DTGDJHAKVQMKFD-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446760563 929313569 /nfs/dbraw/zinc/31/35/69/929313569.db2.gz BQXHECNKLPVOLQ-ZDUSSCGKSA-N 1 1 320.357 -1.690 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446760563 929313575 /nfs/dbraw/zinc/31/35/75/929313575.db2.gz BQXHECNKLPVOLQ-ZDUSSCGKSA-N 1 1 320.357 -1.690 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1=O ZINC001446756307 929314072 /nfs/dbraw/zinc/31/40/72/929314072.db2.gz LGUZUZZMIFQUFP-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1=O ZINC001446756307 929314082 /nfs/dbraw/zinc/31/40/82/929314082.db2.gz LGUZUZZMIFQUFP-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC001446757718 929314150 /nfs/dbraw/zinc/31/41/50/929314150.db2.gz XQJIZZOEYYIYPI-LBPRGKRZSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)C1CS(=O)(=O)C1 ZINC001446757718 929314161 /nfs/dbraw/zinc/31/41/61/929314161.db2.gz XQJIZZOEYYIYPI-LBPRGKRZSA-N 1 1 306.384 -2.034 20 0 DAADMO COc1ccncc1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446753543 929314339 /nfs/dbraw/zinc/31/43/39/929314339.db2.gz CSZPMFFKAZILHN-HNNXBMFYSA-N 1 1 322.365 -1.329 20 0 DAADMO COc1ccncc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446753543 929314350 /nfs/dbraw/zinc/31/43/50/929314350.db2.gz CSZPMFFKAZILHN-HNNXBMFYSA-N 1 1 322.365 -1.329 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001446756925 929314530 /nfs/dbraw/zinc/31/45/30/929314530.db2.gz FVSCUSUFARLUQM-HZMBPMFUSA-N 1 1 324.385 -1.446 20 0 DAADMO CC(C)[C@@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446764223 929315003 /nfs/dbraw/zinc/31/50/03/929315003.db2.gz FHHMFNXNTNZXKF-MFKMUULPSA-N 1 1 318.349 -1.272 20 0 DAADMO CC(C)[C@@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446764223 929315015 /nfs/dbraw/zinc/31/50/15/929315015.db2.gz FHHMFNXNTNZXKF-MFKMUULPSA-N 1 1 318.349 -1.272 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446768885 929315156 /nfs/dbraw/zinc/31/51/56/929315156.db2.gz YYPVMWSOMYZMHL-OAHLLOKOSA-N 1 1 321.381 -1.001 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446768885 929315165 /nfs/dbraw/zinc/31/51/65/929315165.db2.gz YYPVMWSOMYZMHL-OAHLLOKOSA-N 1 1 321.381 -1.001 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446761413 929315513 /nfs/dbraw/zinc/31/55/13/929315513.db2.gz HUJAZERNELFJAT-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446761413 929315521 /nfs/dbraw/zinc/31/55/21/929315521.db2.gz HUJAZERNELFJAT-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1=O ZINC001446764133 929315736 /nfs/dbraw/zinc/31/57/36/929315736.db2.gz SQOFPTXNRVGWPZ-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446764117 929316125 /nfs/dbraw/zinc/31/61/25/929316125.db2.gz JVQHIWGCZFUZEU-RNCFNFMXSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446764117 929316132 /nfs/dbraw/zinc/31/61/32/929316132.db2.gz JVQHIWGCZFUZEU-RNCFNFMXSA-N 1 1 308.342 -2.130 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446766091 929316160 /nfs/dbraw/zinc/31/61/60/929316160.db2.gz LLGSBGHCAGTKNT-QMTHXVAHSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446766091 929316172 /nfs/dbraw/zinc/31/61/72/929316172.db2.gz LLGSBGHCAGTKNT-QMTHXVAHSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncs2)C1 ZINC001446765497 929316230 /nfs/dbraw/zinc/31/62/30/929316230.db2.gz VTDAOYCXLLNYFL-CYBMUJFWSA-N 1 1 312.395 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncs2)C1 ZINC001446765497 929316234 /nfs/dbraw/zinc/31/62/34/929316234.db2.gz VTDAOYCXLLNYFL-CYBMUJFWSA-N 1 1 312.395 -1.015 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446762886 929316706 /nfs/dbraw/zinc/31/67/06/929316706.db2.gz WSLDYFZDKWOFLW-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446762886 929316713 /nfs/dbraw/zinc/31/67/13/929316713.db2.gz WSLDYFZDKWOFLW-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761789 929317030 /nfs/dbraw/zinc/31/70/30/929317030.db2.gz CRUBNTANALJRMS-OTYXRUKQSA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761789 929317046 /nfs/dbraw/zinc/31/70/46/929317046.db2.gz CRUBNTANALJRMS-OTYXRUKQSA-N 1 1 323.353 -1.819 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001446763179 929317073 /nfs/dbraw/zinc/31/70/73/929317073.db2.gz RHCJSVIKPOVWPT-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001446763179 929317086 /nfs/dbraw/zinc/31/70/86/929317086.db2.gz RHCJSVIKPOVWPT-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446764114 929317188 /nfs/dbraw/zinc/31/71/88/929317188.db2.gz JVQHIWGCZFUZEU-NOZJJQNGSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446764114 929317202 /nfs/dbraw/zinc/31/72/02/929317202.db2.gz JVQHIWGCZFUZEU-NOZJJQNGSA-N 1 1 308.342 -2.130 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001446770260 929317408 /nfs/dbraw/zinc/31/74/08/929317408.db2.gz RHXKTXDTYBFJIB-GWCFXTLKSA-N 1 1 301.343 -2.170 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001446770260 929317416 /nfs/dbraw/zinc/31/74/16/929317416.db2.gz RHXKTXDTYBFJIB-GWCFXTLKSA-N 1 1 301.343 -2.170 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001446762648 929317532 /nfs/dbraw/zinc/31/75/32/929317532.db2.gz SMMAHOHPOMOARA-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001446762648 929317542 /nfs/dbraw/zinc/31/75/42/929317542.db2.gz SMMAHOHPOMOARA-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1=O ZINC001446764138 929317775 /nfs/dbraw/zinc/31/77/75/929317775.db2.gz SQOFPTXNRVGWPZ-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001446763075 929318034 /nfs/dbraw/zinc/31/80/34/929318034.db2.gz SRGMPBWTFGNTHJ-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001446780164 929318717 /nfs/dbraw/zinc/31/87/17/929318717.db2.gz XRWZNQADMJPXCE-SMDDNHRTSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001446774594 929318740 /nfs/dbraw/zinc/31/87/40/929318740.db2.gz LGBCJWOBEQSRRD-QWHCGFSZSA-N 1 1 303.334 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001446774594 929318748 /nfs/dbraw/zinc/31/87/48/929318748.db2.gz LGBCJWOBEQSRRD-QWHCGFSZSA-N 1 1 303.334 -1.586 20 0 DAADMO C[C@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446773883 929318825 /nfs/dbraw/zinc/31/88/25/929318825.db2.gz WLYTWXPBULCIFW-CMPLNLGQSA-N 1 1 300.338 -1.026 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001446783278 929318862 /nfs/dbraw/zinc/31/88/62/929318862.db2.gz NUFSLPLHQOEOMC-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001446783278 929318871 /nfs/dbraw/zinc/31/88/71/929318871.db2.gz NUFSLPLHQOEOMC-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2nnnn2CC1 ZINC001446782068 929319122 /nfs/dbraw/zinc/31/91/22/929319122.db2.gz CCACZNHXDWIWPC-SMDDNHRTSA-N 1 1 324.385 -1.829 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446774842 929319272 /nfs/dbraw/zinc/31/92/72/929319272.db2.gz KKYYKDWGKIHTOG-YGRLFVJLSA-N 1 1 314.386 -1.813 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446774842 929319284 /nfs/dbraw/zinc/31/92/84/929319284.db2.gz KKYYKDWGKIHTOG-YGRLFVJLSA-N 1 1 314.386 -1.813 20 0 DAADMO O=C(CCn1ccnc1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446781774 929319782 /nfs/dbraw/zinc/31/97/82/929319782.db2.gz YUXHBCKNHZHYTP-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1ccnc1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446781774 929319792 /nfs/dbraw/zinc/31/97/92/929319792.db2.gz YUXHBCKNHZHYTP-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](Cc2ccns2)C1 ZINC001446772145 929320142 /nfs/dbraw/zinc/32/01/42/929320142.db2.gz UYXLMTKETQQOHZ-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccns2)C1 ZINC001446772145 929320148 /nfs/dbraw/zinc/32/01/48/929320148.db2.gz UYXLMTKETQQOHZ-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001446774582 929320196 /nfs/dbraw/zinc/32/01/96/929320196.db2.gz LGBCJWOBEQSRRD-CHWSQXEVSA-N 1 1 303.334 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001446774582 929320203 /nfs/dbraw/zinc/32/02/03/929320203.db2.gz LGBCJWOBEQSRRD-CHWSQXEVSA-N 1 1 303.334 -1.586 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001446777639 929321194 /nfs/dbraw/zinc/32/11/94/929321194.db2.gz ACLTWACALBJNFU-AWEZNQCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001446777639 929321205 /nfs/dbraw/zinc/32/12/05/929321205.db2.gz ACLTWACALBJNFU-AWEZNQCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446798891 929323260 /nfs/dbraw/zinc/32/32/60/929323260.db2.gz CEJQBLILTUVCSU-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786539 929323355 /nfs/dbraw/zinc/32/33/55/929323355.db2.gz VWKSYRFTHBTULO-AAEUAGOBSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786539 929323369 /nfs/dbraw/zinc/32/33/69/929323369.db2.gz VWKSYRFTHBTULO-AAEUAGOBSA-N 1 1 322.427 -1.255 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001446799864 929323547 /nfs/dbraw/zinc/32/35/47/929323547.db2.gz YFIZYXQSGQWETR-ZUZCIYMTSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001446799864 929323553 /nfs/dbraw/zinc/32/35/53/929323553.db2.gz YFIZYXQSGQWETR-ZUZCIYMTSA-N 1 1 321.381 -1.447 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446797051 929323629 /nfs/dbraw/zinc/32/36/29/929323629.db2.gz FKICICGHEAGDGD-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446797051 929323640 /nfs/dbraw/zinc/32/36/40/929323640.db2.gz FKICICGHEAGDGD-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001446799856 929324285 /nfs/dbraw/zinc/32/42/85/929324285.db2.gz YFIZYXQSGQWETR-BMIGLBTASA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001446799856 929324296 /nfs/dbraw/zinc/32/42/96/929324296.db2.gz YFIZYXQSGQWETR-BMIGLBTASA-N 1 1 321.381 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786551 929324506 /nfs/dbraw/zinc/32/45/06/929324506.db2.gz VWKSYRFTHBTULO-YPMHNXCESA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786551 929324520 /nfs/dbraw/zinc/32/45/20/929324520.db2.gz VWKSYRFTHBTULO-YPMHNXCESA-N 1 1 322.427 -1.255 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)C(C)C ZINC001446795280 929324545 /nfs/dbraw/zinc/32/45/45/929324545.db2.gz JRVVDEJOIQUABR-OCCSQVGLSA-N 1 1 301.387 -1.308 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446785858 929324620 /nfs/dbraw/zinc/32/46/20/929324620.db2.gz LWEBQGSCPOQWRA-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446785858 929324628 /nfs/dbraw/zinc/32/46/28/929324628.db2.gz LWEBQGSCPOQWRA-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446798876 929324719 /nfs/dbraw/zinc/32/47/19/929324719.db2.gz CEJQBLILTUVCSU-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001446784036 929325063 /nfs/dbraw/zinc/32/50/63/929325063.db2.gz QFTHVCACDFVUJX-OAHLLOKOSA-N 1 1 315.414 -1.356 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)c[nH]1 ZINC001446790435 929325259 /nfs/dbraw/zinc/32/52/59/929325259.db2.gz IMLDVXJKCLGADG-CQSZACIVSA-N 1 1 310.354 -1.337 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446816502 929325648 /nfs/dbraw/zinc/32/56/48/929325648.db2.gz LWBFFLLADMQLGF-HNNXBMFYSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446816502 929325661 /nfs/dbraw/zinc/32/56/61/929325661.db2.gz LWBFFLLADMQLGF-HNNXBMFYSA-N 1 1 321.381 -1.285 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001446804905 929325716 /nfs/dbraw/zinc/32/57/16/929325716.db2.gz KAEAXRVIVYXIQP-LBPRGKRZSA-N 1 1 317.296 -1.070 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001446804905 929325724 /nfs/dbraw/zinc/32/57/24/929325724.db2.gz KAEAXRVIVYXIQP-LBPRGKRZSA-N 1 1 317.296 -1.070 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001446807514 929326483 /nfs/dbraw/zinc/32/64/83/929326483.db2.gz MKHBGUZZTXZEER-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001446807514 929326491 /nfs/dbraw/zinc/32/64/91/929326491.db2.gz MKHBGUZZTXZEER-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446802425 929326580 /nfs/dbraw/zinc/32/65/80/929326580.db2.gz LIOBXNRGOYGUME-ZWNOBZJWSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001446802425 929326588 /nfs/dbraw/zinc/32/65/88/929326588.db2.gz LIOBXNRGOYGUME-ZWNOBZJWSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001446802425 929326594 /nfs/dbraw/zinc/32/65/94/929326594.db2.gz LIOBXNRGOYGUME-ZWNOBZJWSA-N 1 1 313.358 -2.093 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446803508 929326728 /nfs/dbraw/zinc/32/67/28/929326728.db2.gz GKZDPUUOZOBUBF-GFCCVEGCSA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446803508 929326740 /nfs/dbraw/zinc/32/67/40/929326740.db2.gz GKZDPUUOZOBUBF-GFCCVEGCSA-N 1 1 301.347 -2.656 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446809397 929327728 /nfs/dbraw/zinc/32/77/28/929327728.db2.gz WTUKHLKXRFDMHQ-ZDUSSCGKSA-N 1 1 310.358 -2.012 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446809397 929327734 /nfs/dbraw/zinc/32/77/34/929327734.db2.gz WTUKHLKXRFDMHQ-ZDUSSCGKSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001446825685 929329932 /nfs/dbraw/zinc/32/99/32/929329932.db2.gz BIIARUKBNRWXOS-ZJUUUORDSA-N 1 1 300.359 -2.646 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001446825685 929329940 /nfs/dbraw/zinc/32/99/40/929329940.db2.gz BIIARUKBNRWXOS-ZJUUUORDSA-N 1 1 300.359 -2.646 20 0 DAADMO CCOC1CC(C[NH+]2CC(O)(CNC(=O)Cn3cnnn3)C2)C1 ZINC001446828816 929331103 /nfs/dbraw/zinc/33/11/03/929331103.db2.gz MEJFVXBRUGCEOC-UHFFFAOYSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3ncnn3C)C2)CC[N@H+]1C ZINC001446835631 929333618 /nfs/dbraw/zinc/33/36/18/929333618.db2.gz RUJRALKMDVBVBD-VXGBXAGGSA-N 1 1 322.413 -1.182 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC001446839137 929334814 /nfs/dbraw/zinc/33/48/14/929334814.db2.gz RWZSTFJCCJDFKZ-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001446839137 929334825 /nfs/dbraw/zinc/33/48/25/929334825.db2.gz RWZSTFJCCJDFKZ-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001446853174 929338049 /nfs/dbraw/zinc/33/80/49/929338049.db2.gz HGWQVINVXJOUCE-GFCCVEGCSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@@H]2CCN(C)C2=O)C1 ZINC001446855240 929338220 /nfs/dbraw/zinc/33/82/20/929338220.db2.gz QIDCIFDDOWFATR-GFCCVEGCSA-N 1 1 321.381 -1.415 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446857156 929340281 /nfs/dbraw/zinc/34/02/81/929340281.db2.gz XQTJTTYWTIHIHD-UHFFFAOYSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001446862331 929342000 /nfs/dbraw/zinc/34/20/00/929342000.db2.gz QBXXNYVVUSQZND-JTQLQIEISA-N 1 1 308.338 -1.417 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@@H]3CCCO3)C2)n1 ZINC001446873082 929344036 /nfs/dbraw/zinc/34/40/36/929344036.db2.gz PWWZHLVRRQYYFL-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)O1 ZINC001446888046 929347381 /nfs/dbraw/zinc/34/73/81/929347381.db2.gz PLYIBEDRPCIFCG-NWDGAFQWSA-N 1 1 311.382 -1.018 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001446893118 929348921 /nfs/dbraw/zinc/34/89/21/929348921.db2.gz XYNRAQJDHUNPSP-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001446912509 929350161 /nfs/dbraw/zinc/35/01/61/929350161.db2.gz ONAJSOBMSAWPKY-JTQLQIEISA-N 1 1 305.400 -1.503 20 0 DAADMO CCn1cc(CN2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001446913321 929350942 /nfs/dbraw/zinc/35/09/42/929350942.db2.gz QRKPSMIKLPDGQC-LBPRGKRZSA-N 1 1 322.413 -1.087 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@H]2CCN(C)C2=O)C1 ZINC001446904958 929351210 /nfs/dbraw/zinc/35/12/10/929351210.db2.gz KDHUIMWEDSRIGK-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCC[C@H](N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001446908379 929351324 /nfs/dbraw/zinc/35/13/24/929351324.db2.gz AFPXNULPDHHWBY-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446912373 929351345 /nfs/dbraw/zinc/35/13/45/929351345.db2.gz MUWNPTGFUVQYIT-LBPRGKRZSA-N 1 1 312.414 -1.421 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001446925201 929352230 /nfs/dbraw/zinc/35/22/30/929352230.db2.gz OPHPJSJVVNIBRQ-TUAOUCFPSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001446914472 929352388 /nfs/dbraw/zinc/35/23/88/929352388.db2.gz UZTDIRMUYAJYIW-JTQLQIEISA-N 1 1 321.399 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001446914489 929352817 /nfs/dbraw/zinc/35/28/17/929352817.db2.gz UZTDIRMUYAJYIW-SNVBAGLBSA-N 1 1 321.399 -2.265 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001446946273 929354245 /nfs/dbraw/zinc/35/42/45/929354245.db2.gz WOKBWPRQPJLOTG-UWVGGRQHSA-N 1 1 324.389 -1.534 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001446982680 929355919 /nfs/dbraw/zinc/35/59/19/929355919.db2.gz QTSJYOZBQGYDLK-TXEJJXNPSA-N 1 1 316.427 -1.160 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C1 ZINC001446972966 929357156 /nfs/dbraw/zinc/35/71/56/929357156.db2.gz PILFVGNUDFOVIF-TUAOUCFPSA-N 1 1 315.370 -1.260 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)COC)C[C@H]2C1 ZINC001446971874 929357221 /nfs/dbraw/zinc/35/72/21/929357221.db2.gz WZNTXERGFJLHHH-PHIMTYICSA-N 1 1 312.370 -1.131 20 0 DAADMO Cc1c[nH]nc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001446972624 929357585 /nfs/dbraw/zinc/35/75/85/929357585.db2.gz HVZUJYHUTYMEIE-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO CCOCC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC001446971244 929357691 /nfs/dbraw/zinc/35/76/91/929357691.db2.gz JFEXPTFQIWNVBT-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001446987469 929359006 /nfs/dbraw/zinc/35/90/06/929359006.db2.gz KAGDRYFMPGMRIB-AOOOYVTPSA-N 1 1 321.341 -2.137 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001447005743 929359363 /nfs/dbraw/zinc/35/93/63/929359363.db2.gz VMBFQFWCAIEZON-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001446986987 929360128 /nfs/dbraw/zinc/36/01/28/929360128.db2.gz GMMVEDVQPODODT-OCAPTIKFSA-N 1 1 307.314 -1.997 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)nn1 ZINC001446991783 929360338 /nfs/dbraw/zinc/36/03/38/929360338.db2.gz XATIESDWWSIAIH-PHIMTYICSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)nn1 ZINC001446991783 929360349 /nfs/dbraw/zinc/36/03/49/929360349.db2.gz XATIESDWWSIAIH-PHIMTYICSA-N 1 1 321.385 -1.236 20 0 DAADMO COC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001447014673 929361644 /nfs/dbraw/zinc/36/16/44/929361644.db2.gz XBGIPOYIAKCGSA-GXFFZTMASA-N 1 1 303.359 -1.334 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001447011797 929361931 /nfs/dbraw/zinc/36/19/31/929361931.db2.gz SUFYCKUPCJYQIF-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)NC1=O ZINC001447012002 929362216 /nfs/dbraw/zinc/36/22/16/929362216.db2.gz NWAZESPIJJRWKA-GXFFZTMASA-N 1 1 300.359 -2.055 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)NC1=O ZINC001447012004 929362316 /nfs/dbraw/zinc/36/23/16/929362316.db2.gz NWAZESPIJJRWKA-MFKMUULPSA-N 1 1 300.359 -2.055 20 0 DAADMO O=C(CN1CCOCC1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001447014672 929362422 /nfs/dbraw/zinc/36/24/22/929362422.db2.gz JGVFPRDHZAQFJC-OAHLLOKOSA-N 1 1 315.414 -1.356 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)O1 ZINC001447030182 929362869 /nfs/dbraw/zinc/36/28/69/929362869.db2.gz BWBXKJKVISCGKK-MISXGVKJSA-N 1 1 315.370 -2.045 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001447012087 929363280 /nfs/dbraw/zinc/36/32/80/929363280.db2.gz OBFPWJIRDYUSTA-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2cnc[nH]2)C1=O ZINC001447062852 929367033 /nfs/dbraw/zinc/36/70/33/929367033.db2.gz WVZIASUKTSOIDR-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCCOC1 ZINC001447098834 929369865 /nfs/dbraw/zinc/36/98/65/929369865.db2.gz BURHWUPMUAIOLS-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@H]1CCCOC1 ZINC001447098834 929369875 /nfs/dbraw/zinc/36/98/75/929369875.db2.gz BURHWUPMUAIOLS-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001447162086 929373743 /nfs/dbraw/zinc/37/37/43/929373743.db2.gz IXWRPJFUNYZESV-VXGBXAGGSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001447162086 929373749 /nfs/dbraw/zinc/37/37/49/929373749.db2.gz IXWRPJFUNYZESV-VXGBXAGGSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001447162083 929374177 /nfs/dbraw/zinc/37/41/77/929374177.db2.gz IXWRPJFUNYZESV-RYUDHWBXSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001447162083 929374187 /nfs/dbraw/zinc/37/41/87/929374187.db2.gz IXWRPJFUNYZESV-RYUDHWBXSA-N 1 1 314.386 -1.102 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001447157161 929374437 /nfs/dbraw/zinc/37/44/37/929374437.db2.gz HZMIMQQRQHZXIJ-WDEREUQCSA-N 1 1 321.385 -1.214 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)c1=O ZINC001447144949 929374660 /nfs/dbraw/zinc/37/46/60/929374660.db2.gz SMTHQIIUCZVKSR-LBPRGKRZSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2COCC[N@H+]2CC2CC2)c1=O ZINC001447144949 929374671 /nfs/dbraw/zinc/37/46/71/929374671.db2.gz SMTHQIIUCZVKSR-LBPRGKRZSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001447232305 929375506 /nfs/dbraw/zinc/37/55/06/929375506.db2.gz UWXDXMYXQOBTLI-VIFPVBQESA-N 1 1 307.358 -1.375 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001447296911 929383124 /nfs/dbraw/zinc/38/31/24/929383124.db2.gz CDOJTDOVLCNWSM-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001447296908 929384432 /nfs/dbraw/zinc/38/44/32/929384432.db2.gz CDOJTDOVLCNWSM-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001447303277 929384499 /nfs/dbraw/zinc/38/44/99/929384499.db2.gz USRJBGNRIGAOMG-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001447373341 929386449 /nfs/dbraw/zinc/38/64/49/929386449.db2.gz DTONSEZEWYZJFJ-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1ncnn1 ZINC001447341506 929387649 /nfs/dbraw/zinc/38/76/49/929387649.db2.gz FRTOGOKHJKBNSP-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO COCC(=O)NC[C@H]1CCC2(C[NH+](C[C@H](O)COC)C2)O1 ZINC001447381103 929388387 /nfs/dbraw/zinc/38/83/87/929388387.db2.gz WQGKVNPRGWSZAE-NWDGAFQWSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCn1cnnn1)O2 ZINC001447387211 929389576 /nfs/dbraw/zinc/38/95/76/929389576.db2.gz PMPJQTGUQNXPNN-RYUDHWBXSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001447412744 929391420 /nfs/dbraw/zinc/39/14/20/929391420.db2.gz XZFOOZOOHRASOY-MNOVXSKESA-N 1 1 324.385 -1.056 20 0 DAADMO NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001447453579 929393007 /nfs/dbraw/zinc/39/30/07/929393007.db2.gz WLXGLZOZRLGOID-AWEZNQCLSA-N 1 1 309.370 -1.229 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001447448438 929393676 /nfs/dbraw/zinc/39/36/76/929393676.db2.gz XSQHASMZIXJRNE-XYPYZODXSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001447555365 929399380 /nfs/dbraw/zinc/39/93/80/929399380.db2.gz WMKBJCDXWDNSAA-VHSXEESVSA-N 1 1 309.374 -1.319 20 0 DAADMO C[C@@H](CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1)NC(N)=O ZINC001447589356 929402287 /nfs/dbraw/zinc/40/22/87/929402287.db2.gz FLIPCEGQZGXUTE-NSHDSACASA-N 1 1 313.402 -1.746 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001447630510 929403240 /nfs/dbraw/zinc/40/32/40/929403240.db2.gz IIVHEBKJWQJICR-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001447637400 929403624 /nfs/dbraw/zinc/40/36/24/929403624.db2.gz KHCVEGSYKHEUHI-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001447673713 929405638 /nfs/dbraw/zinc/40/56/38/929405638.db2.gz AXYNMXRDBUKWAV-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@@H](C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1)n1cncn1 ZINC001447719214 929407997 /nfs/dbraw/zinc/40/79/97/929407997.db2.gz LWGBDYUDXAMFLC-QWRGUYRKSA-N 1 1 324.385 -1.344 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001447719115 929408279 /nfs/dbraw/zinc/40/82/79/929408279.db2.gz HTCIUXULZUVKBI-NHYWBVRUSA-N 1 1 311.382 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001447742586 929409923 /nfs/dbraw/zinc/40/99/23/929409923.db2.gz YGMVVWICXUHULD-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001447741296 929409936 /nfs/dbraw/zinc/40/99/36/929409936.db2.gz XWSAJOCACNQTJB-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001447784674 929411469 /nfs/dbraw/zinc/41/14/69/929411469.db2.gz LKNSFQKJGFGPHD-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001447784674 929411474 /nfs/dbraw/zinc/41/14/74/929411474.db2.gz LKNSFQKJGFGPHD-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001447762909 929411902 /nfs/dbraw/zinc/41/19/02/929411902.db2.gz ZGKCYUXQWVHTTN-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001447762909 929411912 /nfs/dbraw/zinc/41/19/12/929411912.db2.gz ZGKCYUXQWVHTTN-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)n(C)c1=O ZINC001447767451 929412257 /nfs/dbraw/zinc/41/22/57/929412257.db2.gz JAVLKEXMKCNAIV-SNVBAGLBSA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)n(C)c1=O ZINC001447767451 929412263 /nfs/dbraw/zinc/41/22/63/929412263.db2.gz JAVLKEXMKCNAIV-SNVBAGLBSA-N 1 1 309.370 -1.255 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001447827905 929415231 /nfs/dbraw/zinc/41/52/31/929415231.db2.gz JXXSRVWCJAZNJF-HBNTYKKESA-N 1 1 319.427 -1.008 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)[nH]1 ZINC001447840821 929415505 /nfs/dbraw/zinc/41/55/05/929415505.db2.gz FZAVBOAGQVJGKH-SFYZADRCSA-N 1 1 307.362 -1.138 20 0 DAADMO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnnn2C)nnn1C ZINC001447832001 929415727 /nfs/dbraw/zinc/41/57/27/929415727.db2.gz BUBLGWPUVRKKOH-JGVFFNPUSA-N 1 1 307.362 -1.056 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnnn2C)[nH]1 ZINC001447840829 929416259 /nfs/dbraw/zinc/41/62/59/929416259.db2.gz FZAVBOAGQVJGKH-YUMQZZPRSA-N 1 1 307.362 -1.138 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CN1CN=NC1=O ZINC001447963559 929421117 /nfs/dbraw/zinc/42/11/17/929421117.db2.gz WPQHPPJUHOZAJI-GMTAPVOTSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)n1cncn1)[N@H+](C)CC(=O)NC(N)=O ZINC001448017299 929423453 /nfs/dbraw/zinc/42/34/53/929423453.db2.gz VFPJXPMUTBITHC-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)n1cncn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448017299 929423458 /nfs/dbraw/zinc/42/34/58/929423458.db2.gz VFPJXPMUTBITHC-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037922 929425500 /nfs/dbraw/zinc/42/55/00/929425500.db2.gz AAOCCJHNAQLJCW-UWVGGRQHSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037922 929425507 /nfs/dbraw/zinc/42/55/07/929425507.db2.gz AAOCCJHNAQLJCW-UWVGGRQHSA-N 1 1 312.374 -1.847 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@H+](C)C[C@H](C)O ZINC001448027136 929425994 /nfs/dbraw/zinc/42/59/94/929425994.db2.gz BHLOMNQTJBYMNP-MNOVXSKESA-N 1 1 324.447 -1.458 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001448039085 929426125 /nfs/dbraw/zinc/42/61/25/929426125.db2.gz MOXHQHAEOKSGRZ-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001448030712 929426363 /nfs/dbraw/zinc/42/63/63/929426363.db2.gz CUHNGHDGNFSLDH-NXEZZACHSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001448030712 929426366 /nfs/dbraw/zinc/42/63/66/929426366.db2.gz CUHNGHDGNFSLDH-NXEZZACHSA-N 1 1 302.375 -1.599 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448078989 929428865 /nfs/dbraw/zinc/42/88/65/929428865.db2.gz MIWLUBPBSICWKY-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448078989 929428876 /nfs/dbraw/zinc/42/88/76/929428876.db2.gz MIWLUBPBSICWKY-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001448075076 929429159 /nfs/dbraw/zinc/42/91/59/929429159.db2.gz OASBDBHSPUALJU-RKDXNWHRSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001448075076 929429162 /nfs/dbraw/zinc/42/91/62/929429162.db2.gz OASBDBHSPUALJU-RKDXNWHRSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001448111384 929430652 /nfs/dbraw/zinc/43/06/52/929430652.db2.gz ZKSFAGIQALIQBA-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448111384 929430656 /nfs/dbraw/zinc/43/06/56/929430656.db2.gz ZKSFAGIQALIQBA-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001448121588 929430701 /nfs/dbraw/zinc/43/07/01/929430701.db2.gz ZBIVSQYLBRNGEM-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001448131257 929432234 /nfs/dbraw/zinc/43/22/34/929432234.db2.gz GPERUHXPIRIGIU-IUCAKERBSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001448131253 929433165 /nfs/dbraw/zinc/43/31/65/929433165.db2.gz GPERUHXPIRIGIU-DTWKUNHWSA-N 1 1 311.346 -1.702 20 0 DAADMO CC(=O)NCC(=O)NC1(CCO)C[NH+](CCC[C@H](C)O)C1 ZINC001448156865 929434823 /nfs/dbraw/zinc/43/48/23/929434823.db2.gz SRUYUILVAMFCDD-NSHDSACASA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1(CCO)CN(CCO)C1 ZINC001448203978 929441615 /nfs/dbraw/zinc/44/16/15/929441615.db2.gz QNLDCWOFXZWTQX-UHFFFAOYSA-N 1 1 301.387 -1.746 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001448239131 929442866 /nfs/dbraw/zinc/44/28/66/929442866.db2.gz KGUGHHVMEZJXGK-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](C)C1C[NH+](CCNS(C)(=O)=O)C1 ZINC001448284153 929444429 /nfs/dbraw/zinc/44/44/29/929444429.db2.gz LWJODLBARZPVIL-ZYHUDNBSSA-N 1 1 321.443 -1.011 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001448278344 929445325 /nfs/dbraw/zinc/44/53/25/929445325.db2.gz SLKXOXAITUDPTG-VIFPVBQESA-N 1 1 307.358 -1.612 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CCF)C1 ZINC001448323439 929447203 /nfs/dbraw/zinc/44/72/03/929447203.db2.gz ZHNNUHDXGLVQBX-VIFPVBQESA-N 1 1 302.350 -1.355 20 0 DAADMO C[C@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448308520 929447721 /nfs/dbraw/zinc/44/77/21/929447721.db2.gz HVNKOUBMWMWZJL-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001448374182 929449266 /nfs/dbraw/zinc/44/92/66/929449266.db2.gz XAQUPPCKGGZEQI-ZDUSSCGKSA-N 1 1 301.343 -1.362 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001448374182 929449276 /nfs/dbraw/zinc/44/92/76/929449276.db2.gz XAQUPPCKGGZEQI-ZDUSSCGKSA-N 1 1 301.343 -1.362 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001448381562 929449565 /nfs/dbraw/zinc/44/95/65/929449565.db2.gz BTWOCUSZWDHJPB-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001448381562 929449573 /nfs/dbraw/zinc/44/95/73/929449573.db2.gz BTWOCUSZWDHJPB-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001448418674 929450735 /nfs/dbraw/zinc/45/07/35/929450735.db2.gz RXJJHYSRKQXBOE-CNDDSTCGSA-N 1 1 322.369 -1.035 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001448418674 929450738 /nfs/dbraw/zinc/45/07/38/929450738.db2.gz RXJJHYSRKQXBOE-CNDDSTCGSA-N 1 1 322.369 -1.035 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001448402891 929451297 /nfs/dbraw/zinc/45/12/97/929451297.db2.gz GJTQETVNTLXMQV-JHEVNIALSA-N 1 1 310.398 -1.107 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001448418837 929451455 /nfs/dbraw/zinc/45/14/55/929451455.db2.gz ZBUYFNOWGMERRL-XYYAHUGASA-N 1 1 306.370 -1.292 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001448408864 929451580 /nfs/dbraw/zinc/45/15/80/929451580.db2.gz GQZNKFJLNSUFFS-WISYIIOYSA-N 1 1 324.381 -1.133 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448416820 929451626 /nfs/dbraw/zinc/45/16/26/929451626.db2.gz OITADYHLZSNSNE-RVMXOQNASA-N 1 1 320.393 -1.305 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001448442654 929452907 /nfs/dbraw/zinc/45/29/07/929452907.db2.gz BPXZJIZTIQMDEW-WISYIIOYSA-N 1 1 306.370 -1.164 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001448442349 929453012 /nfs/dbraw/zinc/45/30/12/929453012.db2.gz UIRKMSLTLHJDFW-WISYIIOYSA-N 1 1 323.397 -1.431 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001448442349 929453015 /nfs/dbraw/zinc/45/30/15/929453015.db2.gz UIRKMSLTLHJDFW-WISYIIOYSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001448440294 929453120 /nfs/dbraw/zinc/45/31/20/929453120.db2.gz WKMSFFYBBOGWGV-RTCCRHLQSA-N 1 1 309.370 -1.819 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001448446556 929453193 /nfs/dbraw/zinc/45/31/93/929453193.db2.gz HYHKEXNMYXTQTJ-XDQVBPFNSA-N 1 1 324.425 -1.124 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNC(N)=O)C[C@@H]2C1 ZINC001448467769 929454136 /nfs/dbraw/zinc/45/41/36/929454136.db2.gz GIBCTPVYVHOWML-HBNTYKKESA-N 1 1 311.386 -1.253 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001448463795 929454777 /nfs/dbraw/zinc/45/47/77/929454777.db2.gz ZLIQNWKHTIVTPG-OWUUHHOZSA-N 1 1 320.353 -1.179 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC001448462118 929455221 /nfs/dbraw/zinc/45/52/21/929455221.db2.gz XSBYFYJIADQSTG-PSVAKVPMSA-N 1 1 321.341 -1.832 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCNC(N)=O)C[C@@H]2C1 ZINC001448467766 929455368 /nfs/dbraw/zinc/45/53/68/929455368.db2.gz GIBCTPVYVHOWML-AXFHLTTASA-N 1 1 311.386 -1.253 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448597124 929458960 /nfs/dbraw/zinc/45/89/60/929458960.db2.gz SRRPOKWFHDNLBQ-VIFPVBQESA-N 1 1 305.346 -1.031 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448576619 929459507 /nfs/dbraw/zinc/45/95/07/929459507.db2.gz YNYVSIFGYMXIEV-MNOVXSKESA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001448639953 929461645 /nfs/dbraw/zinc/46/16/45/929461645.db2.gz BEDVCLYIAUXONH-IUCAKERBSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001448695851 929464258 /nfs/dbraw/zinc/46/42/58/929464258.db2.gz KMPPNXZMQKGUTL-SECBINFHSA-N 1 1 309.330 -1.399 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001448698214 929465308 /nfs/dbraw/zinc/46/53/08/929465308.db2.gz MOJHLNCSVRQIFA-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO COC[C@H](OC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001448710769 929465995 /nfs/dbraw/zinc/46/59/95/929465995.db2.gz LRYNNGMMUKLTRD-ZJUUUORDSA-N 1 1 300.363 -1.192 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001448740487 929466969 /nfs/dbraw/zinc/46/69/69/929466969.db2.gz UDAAUZCWPALQTN-VHSXEESVSA-N 1 1 324.389 -1.299 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cncnc1 ZINC001448770985 929469643 /nfs/dbraw/zinc/46/96/43/929469643.db2.gz ZHCOLMALZUKJOF-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cncnc1 ZINC001448770985 929469650 /nfs/dbraw/zinc/46/96/50/929469650.db2.gz ZHCOLMALZUKJOF-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCC(=O)N1 ZINC001448771289 929469933 /nfs/dbraw/zinc/46/99/33/929469933.db2.gz ZVVWCBWIYAIVJO-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCC(=O)N1 ZINC001448771289 929469937 /nfs/dbraw/zinc/46/99/37/929469937.db2.gz ZVVWCBWIYAIVJO-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCC(=O)N1 ZINC001448771279 929470208 /nfs/dbraw/zinc/47/02/08/929470208.db2.gz ZVVWCBWIYAIVJO-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCC(=O)N1 ZINC001448771279 929470211 /nfs/dbraw/zinc/47/02/11/929470211.db2.gz ZVVWCBWIYAIVJO-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001448767800 929470266 /nfs/dbraw/zinc/47/02/66/929470266.db2.gz JLLRGELNKRXQPE-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cncnc1 ZINC001448770996 929470461 /nfs/dbraw/zinc/47/04/61/929470461.db2.gz ZHCOLMALZUKJOF-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cncnc1 ZINC001448770996 929470468 /nfs/dbraw/zinc/47/04/68/929470468.db2.gz ZHCOLMALZUKJOF-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001448782235 929472025 /nfs/dbraw/zinc/47/20/25/929472025.db2.gz PCYMJLOFOSGMNO-JTQLQIEISA-N 1 1 321.389 -1.092 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)CNC(C)=O ZINC001448795573 929474027 /nfs/dbraw/zinc/47/40/27/929474027.db2.gz HMZDGJHCONSYKO-LBPRGKRZSA-N 1 1 310.354 -1.207 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)n1cccn1 ZINC001448815381 929478112 /nfs/dbraw/zinc/47/81/12/929478112.db2.gz JSCSUMQFTBSTNM-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2nnn(C)n2)CC[N@H+]1C ZINC001448818361 929479975 /nfs/dbraw/zinc/47/99/75/929479975.db2.gz BUNDZTUTEIHIQP-GMTAPVOTSA-N 1 1 311.390 -1.883 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)ncn1 ZINC001448821822 929480498 /nfs/dbraw/zinc/48/04/98/929480498.db2.gz IQKDRDSQTSRBLO-LLVKDONJSA-N 1 1 316.383 -1.604 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)c2N)nn1C ZINC001448819494 929480675 /nfs/dbraw/zinc/48/06/75/929480675.db2.gz QNGNTXFGZGQGFL-LLVKDONJSA-N 1 1 321.385 -1.075 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)ncn1 ZINC001448824567 929482557 /nfs/dbraw/zinc/48/25/57/929482557.db2.gz HAUREYFYYOPVHH-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1cnn(C)c1 ZINC001448825539 929482637 /nfs/dbraw/zinc/48/26/37/929482637.db2.gz KMHHAPPHQULOLU-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448827109 929484131 /nfs/dbraw/zinc/48/41/31/929484131.db2.gz NTGLGJWAZJMUFU-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1 ZINC001448825548 929484206 /nfs/dbraw/zinc/48/42/06/929484206.db2.gz KMHHAPPHQULOLU-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001448829188 929484711 /nfs/dbraw/zinc/48/47/11/929484711.db2.gz GLCCREXXLMDCFD-VHSXEESVSA-N 1 1 311.342 -1.665 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001448829344 929485735 /nfs/dbraw/zinc/48/57/35/929485735.db2.gz IYCSAFWQGUCNPI-QWRGUYRKSA-N 1 1 324.385 -1.077 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448833562 929485948 /nfs/dbraw/zinc/48/59/48/929485948.db2.gz CJYXKNHHMBIHAC-OLZOCXBDSA-N 1 1 312.414 -1.469 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc2ccon2)c1 ZINC001448829211 929486563 /nfs/dbraw/zinc/48/65/63/929486563.db2.gz GPABDHDTAWOENM-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001448830038 929487243 /nfs/dbraw/zinc/48/72/43/929487243.db2.gz OUFJSTMSZDZCMK-MNOVXSKESA-N 1 1 309.326 -1.540 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001448834429 929488061 /nfs/dbraw/zinc/48/80/61/929488061.db2.gz CNZPOSNAAKTDBC-NSHDSACASA-N 1 1 310.358 -1.719 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)c1 ZINC001448834804 929488670 /nfs/dbraw/zinc/48/86/70/929488670.db2.gz DJWBBMCEDYMBFV-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001448841569 929492544 /nfs/dbraw/zinc/49/25/44/929492544.db2.gz LXSHLYCKMJIDPA-VXGBXAGGSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001448846971 929492731 /nfs/dbraw/zinc/49/27/31/929492731.db2.gz UNPKTJRQKZDQFQ-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001448846973 929492772 /nfs/dbraw/zinc/49/27/72/929492772.db2.gz UNPKTJRQKZDQFQ-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1CN[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448847030 929492813 /nfs/dbraw/zinc/49/28/13/929492813.db2.gz UUAURJAAXQDHOS-LLVKDONJSA-N 1 1 310.402 -1.134 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001448842600 929493161 /nfs/dbraw/zinc/49/31/61/929493161.db2.gz WWDDAJQAODRCQG-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CCOc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)[nH]n1 ZINC001448866484 929499220 /nfs/dbraw/zinc/49/92/20/929499220.db2.gz ROSXUAYIMQPVCQ-SECBINFHSA-N 1 1 323.357 -1.183 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)[nH]n1 ZINC001448866490 929499892 /nfs/dbraw/zinc/49/98/92/929499892.db2.gz ROSXUAYIMQPVCQ-VIFPVBQESA-N 1 1 323.357 -1.183 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCNC(=O)C2)n1 ZINC001448880011 929503892 /nfs/dbraw/zinc/50/38/92/929503892.db2.gz MXCBQDKXMDFRIK-SWLSCSKDSA-N 1 1 323.397 -1.097 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001448887549 929505972 /nfs/dbraw/zinc/50/59/72/929505972.db2.gz JSZPFBZIUWLVOY-MNOVXSKESA-N 1 1 323.353 -1.662 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001448882187 929506182 /nfs/dbraw/zinc/50/61/82/929506182.db2.gz GQIIQWHNNJDCEL-KOLCDFICSA-N 1 1 311.342 -1.427 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001448887658 929506593 /nfs/dbraw/zinc/50/65/93/929506593.db2.gz KHAXAAJTJGYVPK-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)CN1CCOCC1 ZINC001448883223 929507063 /nfs/dbraw/zinc/50/70/63/929507063.db2.gz QHAWBUZUXNGILF-CHWSQXEVSA-N 1 1 317.430 -1.208 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001448890855 929509240 /nfs/dbraw/zinc/50/92/40/929509240.db2.gz PLANYIMKIDULAR-NEPJUHHUSA-N 1 1 324.385 -1.288 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001448888628 929509698 /nfs/dbraw/zinc/50/96/98/929509698.db2.gz KRBDMPKNPNUHET-GXTWGEPZSA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001448888632 929509876 /nfs/dbraw/zinc/50/98/76/929509876.db2.gz KRBDMPKNPNUHET-TZMCWYRMSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001448916758 929513758 /nfs/dbraw/zinc/51/37/58/929513758.db2.gz GXKCYBJLYHRDBC-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001448915298 929514003 /nfs/dbraw/zinc/51/40/03/929514003.db2.gz YRMUSBVHMSVMDL-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001448914176 929514799 /nfs/dbraw/zinc/51/47/99/929514799.db2.gz WXIUHPFOSCFVAZ-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001448915321 929514999 /nfs/dbraw/zinc/51/49/99/929514999.db2.gz YRMUSBVHMSVMDL-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001448925219 929518834 /nfs/dbraw/zinc/51/88/34/929518834.db2.gz CFNYPQTXVPKXJF-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)CCn1cnnn1 ZINC001448935300 929520332 /nfs/dbraw/zinc/52/03/32/929520332.db2.gz HYCFBTSOIGYFLS-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001448938547 929521130 /nfs/dbraw/zinc/52/11/30/929521130.db2.gz RXIOCXJGAVFWNL-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001448938537 929521415 /nfs/dbraw/zinc/52/14/15/929521415.db2.gz RXIOCXJGAVFWNL-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001448947918 929522055 /nfs/dbraw/zinc/52/20/55/929522055.db2.gz ORXNHTZMFCULJH-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NC ZINC001448944572 929523799 /nfs/dbraw/zinc/52/37/99/929523799.db2.gz IQGRZSWJJNDNND-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H](C)c1nnnn1C ZINC001448952750 929524755 /nfs/dbraw/zinc/52/47/55/929524755.db2.gz OYRLKOBCHHWNHO-GHMZBOCLSA-N 1 1 313.406 -1.322 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448954656 929525686 /nfs/dbraw/zinc/52/56/86/929525686.db2.gz NJXUZEIIDXCYCD-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001448951784 929526134 /nfs/dbraw/zinc/52/61/34/929526134.db2.gz MGVCOAHVTDHANS-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001448955288 929526072 /nfs/dbraw/zinc/52/60/72/929526072.db2.gz PFCYXMBWRACYLT-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001448961971 929527997 /nfs/dbraw/zinc/52/79/97/929527997.db2.gz YUARVYKYRMNHHZ-LLVKDONJSA-N 1 1 316.383 -1.803 20 0 DAADMO C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001448969368 929528187 /nfs/dbraw/zinc/52/81/87/929528187.db2.gz CFAUCKNVOQYICR-PSASIEDQSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H]1[C@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001448975266 929528709 /nfs/dbraw/zinc/52/87/09/929528709.db2.gz HIZKMYYXRQXJQZ-VHSXEESVSA-N 1 1 315.399 -1.029 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001449038805 929531730 /nfs/dbraw/zinc/53/17/30/929531730.db2.gz YTYMKYUFLBGOAU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001449038805 929531742 /nfs/dbraw/zinc/53/17/42/929531742.db2.gz YTYMKYUFLBGOAU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CCNC(N)=O ZINC001449042897 929533233 /nfs/dbraw/zinc/53/32/33/929533233.db2.gz AMQQHTTUEKZMFL-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCF)[C@H]1C ZINC001449035474 929533322 /nfs/dbraw/zinc/53/33/22/929533322.db2.gz LDRUVSPSFCQGRK-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCF)[C@H]1C ZINC001449035474 929533332 /nfs/dbraw/zinc/53/33/32/929533332.db2.gz LDRUVSPSFCQGRK-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CCF)[C@@H]1C ZINC001449035476 929533722 /nfs/dbraw/zinc/53/37/22/929533722.db2.gz LDRUVSPSFCQGRK-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCF)[C@@H]1C ZINC001449035476 929533728 /nfs/dbraw/zinc/53/37/28/929533728.db2.gz LDRUVSPSFCQGRK-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001449088385 929534823 /nfs/dbraw/zinc/53/48/23/929534823.db2.gz GTKAZNGTZHEETH-CMPLNLGQSA-N 1 1 309.370 -1.090 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001449088390 929534894 /nfs/dbraw/zinc/53/48/94/929534894.db2.gz GTKAZNGTZHEETH-JQWIXIFHSA-N 1 1 309.370 -1.090 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CN2CCCC2=O)[nH]1 ZINC001449089756 929537070 /nfs/dbraw/zinc/53/70/70/929537070.db2.gz HUELYTQBSJZJRA-LLVKDONJSA-N 1 1 324.385 -1.356 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@H]1CCCO1 ZINC001449096530 929537576 /nfs/dbraw/zinc/53/75/76/929537576.db2.gz RAJQEACPHTWNQZ-GHMZBOCLSA-N 1 1 312.374 -1.312 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CN2CCCC2=O)[nH]1 ZINC001449089762 929537803 /nfs/dbraw/zinc/53/78/03/929537803.db2.gz HUELYTQBSJZJRA-NSHDSACASA-N 1 1 324.385 -1.356 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001449100312 929539663 /nfs/dbraw/zinc/53/96/63/929539663.db2.gz WWIDZQWZQOSRJL-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001449115225 929541297 /nfs/dbraw/zinc/54/12/97/929541297.db2.gz FWECJRWTSILVIS-LBPRGKRZSA-N 1 1 324.385 -1.500 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2COCCO2)[nH]1 ZINC001449112934 929541654 /nfs/dbraw/zinc/54/16/54/929541654.db2.gz HZYSGUQXLWIEAU-MNOVXSKESA-N 1 1 313.358 -1.563 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cccn1 ZINC001449114494 929541853 /nfs/dbraw/zinc/54/18/53/929541853.db2.gz JYPJDIWNEMIKCE-LLVKDONJSA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)[nH]1 ZINC001449114825 929542029 /nfs/dbraw/zinc/54/20/29/929542029.db2.gz AOOOTHWLFGMRLK-SNVBAGLBSA-N 1 1 309.330 -1.352 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)c1ccn[nH]1 ZINC001449112894 929542105 /nfs/dbraw/zinc/54/21/05/929542105.db2.gz HSEMRGNKURKAJI-NSHDSACASA-N 1 1 309.370 -1.042 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001449115221 929542247 /nfs/dbraw/zinc/54/22/47/929542247.db2.gz FWECJRWTSILVIS-GFCCVEGCSA-N 1 1 324.385 -1.500 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)n1 ZINC001449117734 929543475 /nfs/dbraw/zinc/54/34/75/929543475.db2.gz JAAHBVCFMGENMT-JTQLQIEISA-N 1 1 309.330 -1.096 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nccs1)C(=O)Cn1ncnn1 ZINC001449116542 929544219 /nfs/dbraw/zinc/54/42/19/929544219.db2.gz DMYDWJBJWDWGAW-SECBINFHSA-N 1 1 311.371 -1.261 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001449119956 929544251 /nfs/dbraw/zinc/54/42/51/929544251.db2.gz YFYNUPNVGJJSSH-IUCAKERBSA-N 1 1 313.362 -2.219 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC1(O)CCC1 ZINC001449122131 929545948 /nfs/dbraw/zinc/54/59/48/929545948.db2.gz KALOYHKRCXJPOL-JTQLQIEISA-N 1 1 312.374 -1.576 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001449122271 929547092 /nfs/dbraw/zinc/54/70/92/929547092.db2.gz KRFCFQAWARKHPF-NSHDSACASA-N 1 1 322.373 -1.607 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449129363 929549459 /nfs/dbraw/zinc/54/94/59/929549459.db2.gz RMTUPSKJIYSENO-SNVBAGLBSA-N 1 1 309.330 -1.421 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001449141495 929550638 /nfs/dbraw/zinc/55/06/38/929550638.db2.gz WBHBNZMSZYXWMS-IUCAKERBSA-N 1 1 311.346 -2.297 20 0 DAADMO Cc1nocc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001449142718 929550699 /nfs/dbraw/zinc/55/06/99/929550699.db2.gz BZAVZTMEOXYARZ-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2n[nH]nc2C)n1 ZINC001449139011 929551358 /nfs/dbraw/zinc/55/13/58/929551358.db2.gz XVAFKLAZIJJDLX-LLVKDONJSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cncn1C ZINC001449146750 929552550 /nfs/dbraw/zinc/55/25/50/929552550.db2.gz RLDOVMAFSCRAGC-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001449150591 929553775 /nfs/dbraw/zinc/55/37/75/929553775.db2.gz LAABZXHVHIMQGR-VXNVDRBHSA-N 1 1 323.361 -1.580 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnn(C)n2)nn1 ZINC001449152405 929555368 /nfs/dbraw/zinc/55/53/68/929555368.db2.gz XGWYURFZZGFXLL-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001449154391 929555639 /nfs/dbraw/zinc/55/56/39/929555639.db2.gz BMGCJEPPQHASGW-VHSXEESVSA-N 1 1 311.386 -1.030 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449158366 929556215 /nfs/dbraw/zinc/55/62/15/929556215.db2.gz VCSCSEWHSFDVFX-MNOVXSKESA-N 1 1 311.342 -1.393 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001449160662 929557749 /nfs/dbraw/zinc/55/77/49/929557749.db2.gz WXSOCIZZLILSRP-MNOVXSKESA-N 1 1 309.370 -1.103 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001449161566 929557989 /nfs/dbraw/zinc/55/79/89/929557989.db2.gz RFOFJGFFOLKHSB-UTUOFQBUSA-N 1 1 324.385 -1.672 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ncccn1 ZINC001449164939 929558420 /nfs/dbraw/zinc/55/84/20/929558420.db2.gz OBZORKFDBVNENM-SECBINFHSA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ncccc1F ZINC001449170815 929560340 /nfs/dbraw/zinc/56/03/40/929560340.db2.gz ZQEWAOVCPVBCKL-SECBINFHSA-N 1 1 323.332 -1.033 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449177588 929560664 /nfs/dbraw/zinc/56/06/64/929560664.db2.gz RUOGTVJIWCTGPA-SNVBAGLBSA-N 1 1 309.330 -1.271 20 0 DAADMO CCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001449172287 929560800 /nfs/dbraw/zinc/56/08/00/929560800.db2.gz GFDPXNGJRUQQRN-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001449172287 929560806 /nfs/dbraw/zinc/56/08/06/929560806.db2.gz GFDPXNGJRUQQRN-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CCOCC1 ZINC001449179727 929561229 /nfs/dbraw/zinc/56/12/29/929561229.db2.gz SXGBLMYXOSUIBX-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CCOCC1 ZINC001449179727 929561237 /nfs/dbraw/zinc/56/12/37/929561237.db2.gz SXGBLMYXOSUIBX-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001449183135 929562745 /nfs/dbraw/zinc/56/27/45/929562745.db2.gz BUAMISBLVTXIKK-LLVKDONJSA-N 1 1 324.385 -1.462 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186081 929562997 /nfs/dbraw/zinc/56/29/97/929562997.db2.gz HMMSHQWBRMJRQI-VHSXEESVSA-N 1 1 301.343 -1.501 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186081 929563002 /nfs/dbraw/zinc/56/30/02/929563002.db2.gz HMMSHQWBRMJRQI-VHSXEESVSA-N 1 1 301.343 -1.501 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC)n1 ZINC001449185572 929563219 /nfs/dbraw/zinc/56/32/19/929563219.db2.gz GUXQOGHIHYCCPC-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC)n1 ZINC001449185572 929563230 /nfs/dbraw/zinc/56/32/30/929563230.db2.gz GUXQOGHIHYCCPC-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188675 929564121 /nfs/dbraw/zinc/56/41/21/929564121.db2.gz NIOCXEADCJMENN-ZJUUUORDSA-N 1 1 312.374 -1.638 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188675 929564130 /nfs/dbraw/zinc/56/41/30/929564130.db2.gz NIOCXEADCJMENN-ZJUUUORDSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001449200132 929565166 /nfs/dbraw/zinc/56/51/66/929565166.db2.gz XSNQZHYJHJGKSW-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cccnc1 ZINC001449195438 929565388 /nfs/dbraw/zinc/56/53/88/929565388.db2.gz TUYOASJGOTYTAI-LLVKDONJSA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cccnc1 ZINC001449195438 929565393 /nfs/dbraw/zinc/56/53/93/929565393.db2.gz TUYOASJGOTYTAI-LLVKDONJSA-N 1 1 323.353 -1.359 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001449194982 929565606 /nfs/dbraw/zinc/56/56/06/929565606.db2.gz FTQGANMBUWCGGA-MNOVXSKESA-N 1 1 312.370 -1.474 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC1=O ZINC001449197381 929565951 /nfs/dbraw/zinc/56/59/51/929565951.db2.gz JEHHCZFNMOFMMW-NEPJUHHUSA-N 1 1 301.387 -1.402 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC1=O ZINC001449197387 929566293 /nfs/dbraw/zinc/56/62/93/929566293.db2.gz JEHHCZFNMOFMMW-NWDGAFQWSA-N 1 1 301.387 -1.402 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001449194989 929566315 /nfs/dbraw/zinc/56/63/15/929566315.db2.gz FTQGANMBUWCGGA-QWRGUYRKSA-N 1 1 312.370 -1.474 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)CN1CCOCC1=O ZINC001449197268 929566339 /nfs/dbraw/zinc/56/63/39/929566339.db2.gz IKBIKGHHSWQTTH-LBPRGKRZSA-N 1 1 319.377 -1.044 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC1=O ZINC001449197394 929566616 /nfs/dbraw/zinc/56/66/16/929566616.db2.gz JEHHCZFNMOFMMW-VXGBXAGGSA-N 1 1 301.387 -1.402 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001449193872 929566958 /nfs/dbraw/zinc/56/69/58/929566958.db2.gz FQODQALKMRYFDM-LBPRGKRZSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001449193872 929566967 /nfs/dbraw/zinc/56/69/67/929566967.db2.gz FQODQALKMRYFDM-LBPRGKRZSA-N 1 1 309.370 -1.023 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n(C)n1 ZINC001449200441 929567168 /nfs/dbraw/zinc/56/71/68/929567168.db2.gz OHFIJRLGWFBWJK-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001449201560 929568236 /nfs/dbraw/zinc/56/82/36/929568236.db2.gz PQAGYFPKROLSSM-SCZZXKLOSA-N 1 1 313.383 -1.209 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001449208992 929569050 /nfs/dbraw/zinc/56/90/50/929569050.db2.gz GPOIRAGVSPOVBD-QWRGUYRKSA-N 1 1 324.385 -1.291 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ccnc1 ZINC001449214494 929569278 /nfs/dbraw/zinc/56/92/78/929569278.db2.gz NSSYNNHKAYHRIT-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc(Cl)n1C ZINC001449218226 929569319 /nfs/dbraw/zinc/56/93/19/929569319.db2.gz BJGNCPWBRDNWKU-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc(Cl)n1C ZINC001449218226 929569328 /nfs/dbraw/zinc/56/93/28/929569328.db2.gz BJGNCPWBRDNWKU-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001449219809 929569942 /nfs/dbraw/zinc/56/99/42/929569942.db2.gz VMYGIOXUZCKOQY-YGRLFVJLSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001449219809 929569951 /nfs/dbraw/zinc/56/99/51/929569951.db2.gz VMYGIOXUZCKOQY-YGRLFVJLSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@H]1CNC(=O)N1 ZINC001449208194 929570681 /nfs/dbraw/zinc/57/06/81/929570681.db2.gz DGSHKMWYMDCWRV-VXGBXAGGSA-N 1 1 324.385 -1.647 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200891 929570772 /nfs/dbraw/zinc/57/07/72/929570772.db2.gz ZTNDOCQVCWTCFZ-NXEZZACHSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200891 929570781 /nfs/dbraw/zinc/57/07/81/929570781.db2.gz ZTNDOCQVCWTCFZ-NXEZZACHSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449228508 929571555 /nfs/dbraw/zinc/57/15/55/929571555.db2.gz ABGLWTDFZPDWBB-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001449234430 929571741 /nfs/dbraw/zinc/57/17/41/929571741.db2.gz PMBOPPHDQNZBOJ-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001449236828 929572129 /nfs/dbraw/zinc/57/21/29/929572129.db2.gz UELWQWCZUJSIQA-UWVGGRQHSA-N 1 1 313.358 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001449236828 929572139 /nfs/dbraw/zinc/57/21/39/929572139.db2.gz UELWQWCZUJSIQA-UWVGGRQHSA-N 1 1 313.358 -1.123 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001449232195 929572247 /nfs/dbraw/zinc/57/22/47/929572247.db2.gz HSIQUWIVBZCASC-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001449232195 929572255 /nfs/dbraw/zinc/57/22/55/929572255.db2.gz HSIQUWIVBZCASC-VXGBXAGGSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233179 929572569 /nfs/dbraw/zinc/57/25/69/929572569.db2.gz WTSYDUCXFNILFD-MWLCHTKSSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233179 929572576 /nfs/dbraw/zinc/57/25/76/929572576.db2.gz WTSYDUCXFNILFD-MWLCHTKSSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001449220648 929572651 /nfs/dbraw/zinc/57/26/51/929572651.db2.gz XESDOBZOAXGHKY-RYUDHWBXSA-N 1 1 316.402 -2.450 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449228182 929573419 /nfs/dbraw/zinc/57/34/19/929573419.db2.gz UNFDYXVKJKOKGJ-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449228182 929573425 /nfs/dbraw/zinc/57/34/25/929573425.db2.gz UNFDYXVKJKOKGJ-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238343 929573525 /nfs/dbraw/zinc/57/35/25/929573525.db2.gz WVEQAFIOSUSGAT-KGLIPLIRSA-N 1 1 317.430 -1.159 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449220935 929573781 /nfs/dbraw/zinc/57/37/81/929573781.db2.gz XPJHAOZJFQMPOS-DTWKUNHWSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449220935 929573790 /nfs/dbraw/zinc/57/37/90/929573790.db2.gz XPJHAOZJFQMPOS-DTWKUNHWSA-N 1 1 301.347 -2.754 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001449236466 929573870 /nfs/dbraw/zinc/57/38/70/929573870.db2.gz JZHSQHDNJVRCFA-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001449236466 929573878 /nfs/dbraw/zinc/57/38/78/929573878.db2.gz JZHSQHDNJVRCFA-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccoc1CC(N)=O ZINC001449221507 929573926 /nfs/dbraw/zinc/57/39/26/929573926.db2.gz XMKDPPUDYOUGOK-JTQLQIEISA-N 1 1 313.354 -1.336 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449251614 929574965 /nfs/dbraw/zinc/57/49/65/929574965.db2.gz YHSMGMHPOKHUBT-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO CC(C)N(CC[N@H+](C)CC(=O)N(C)C)C(=O)Cn1cnnn1 ZINC001449242899 929575446 /nfs/dbraw/zinc/57/54/46/929575446.db2.gz IEPMPCNPCHSVCC-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CC(C)N(CC[N@@H+](C)CC(=O)N(C)C)C(=O)Cn1cnnn1 ZINC001449242899 929575455 /nfs/dbraw/zinc/57/54/55/929575455.db2.gz IEPMPCNPCHSVCC-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449250437 929575562 /nfs/dbraw/zinc/57/55/62/929575562.db2.gz WSGMBYWLVPVVCH-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449250437 929575576 /nfs/dbraw/zinc/57/55/76/929575576.db2.gz WSGMBYWLVPVVCH-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001449243540 929575775 /nfs/dbraw/zinc/57/57/75/929575775.db2.gz BGRNUWPICXOVAP-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001449243540 929575780 /nfs/dbraw/zinc/57/57/80/929575780.db2.gz BGRNUWPICXOVAP-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1cncn1 ZINC001449246325 929576498 /nfs/dbraw/zinc/57/64/98/929576498.db2.gz QASQPOUKXPHRJW-ZDUSSCGKSA-N 1 1 321.385 -1.037 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1cncn1 ZINC001449246325 929576512 /nfs/dbraw/zinc/57/65/12/929576512.db2.gz QASQPOUKXPHRJW-ZDUSSCGKSA-N 1 1 321.385 -1.037 20 0 DAADMO CC(C)N(CC[N@H+](C)CC(=O)N(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001449269463 929577351 /nfs/dbraw/zinc/57/73/51/929577351.db2.gz WORBITSLVIYGNT-LLVKDONJSA-N 1 1 313.402 -1.075 20 0 DAADMO CC(C)N(CC[N@@H+](C)CC(=O)N(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001449269463 929577356 /nfs/dbraw/zinc/57/73/56/929577356.db2.gz WORBITSLVIYGNT-LLVKDONJSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001449337983 929581174 /nfs/dbraw/zinc/58/11/74/929581174.db2.gz DIUWDAMQHTXDIQ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCCNC1=O ZINC001449326293 929581240 /nfs/dbraw/zinc/58/12/40/929581240.db2.gz HJMLRFSLMOXLQT-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCCNC1=O ZINC001449326293 929581246 /nfs/dbraw/zinc/58/12/46/929581246.db2.gz HJMLRFSLMOXLQT-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](CO)C(N)=O)cn1 ZINC001449340006 929581572 /nfs/dbraw/zinc/58/15/72/929581572.db2.gz GWFCRPYIWSKBIB-TUAOUCFPSA-N 1 1 309.370 -1.582 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001449799972 929595282 /nfs/dbraw/zinc/59/52/82/929595282.db2.gz LCPPBSQNRQPOJW-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C(=O)CNC(N)=O)C1CC1 ZINC001449885342 929598998 /nfs/dbraw/zinc/59/89/98/929598998.db2.gz FHVWMJHSMVMLHP-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)Cn1ncnn1 ZINC001449870700 929600046 /nfs/dbraw/zinc/60/00/46/929600046.db2.gz ZFRFLCNGWIUBMT-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001450026029 929602906 /nfs/dbraw/zinc/60/29/06/929602906.db2.gz DRFAFOXABZUNRO-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061665 929605068 /nfs/dbraw/zinc/60/50/68/929605068.db2.gz NRUVTCLJZFMPEZ-QWRGUYRKSA-N 1 1 322.406 -1.021 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061665 929605078 /nfs/dbraw/zinc/60/50/78/929605078.db2.gz NRUVTCLJZFMPEZ-QWRGUYRKSA-N 1 1 322.406 -1.021 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC(CN3CC[NH+](C)CC3)C2)C1=O ZINC001450172436 929611661 /nfs/dbraw/zinc/61/16/61/929611661.db2.gz ONOVEUQWJOWLCT-UHFFFAOYSA-N 1 1 323.397 -1.414 20 0 DAADMO C[C@H](CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001450342239 929623836 /nfs/dbraw/zinc/62/38/36/929623836.db2.gz FQNMHMBRFUBRMI-KOLCDFICSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001450342244 929624152 /nfs/dbraw/zinc/62/41/52/929624152.db2.gz FQNMHMBRFUBRMI-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)NCC(=O)N1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001450351755 929624162 /nfs/dbraw/zinc/62/41/62/929624162.db2.gz QXTKFYGUUUMAQZ-NWDGAFQWSA-N 1 1 323.397 -1.001 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(C)=O)C2)C1 ZINC001450354560 929624442 /nfs/dbraw/zinc/62/44/42/929624442.db2.gz ARWFZRJRQABPOK-LBPRGKRZSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(C)=O)C2)C1 ZINC001450354560 929624452 /nfs/dbraw/zinc/62/44/52/929624452.db2.gz ARWFZRJRQABPOK-LBPRGKRZSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001450376332 929627963 /nfs/dbraw/zinc/62/79/63/929627963.db2.gz BMBINVCNWQXVKT-UHFFFAOYSA-N 1 1 324.385 -1.751 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001513504296 929637127 /nfs/dbraw/zinc/63/71/27/929637127.db2.gz ICCHRHCDVXQIMB-PWSUYJOCSA-N 1 1 324.385 -1.543 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O ZINC001513583702 929641442 /nfs/dbraw/zinc/64/14/42/929641442.db2.gz WTYPJVKUCFYPCJ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001513620448 929643336 /nfs/dbraw/zinc/64/33/36/929643336.db2.gz GURWVXWNUWSPBY-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1=O ZINC001518896407 929652868 /nfs/dbraw/zinc/65/28/68/929652868.db2.gz CZSJZTGZZYVDOE-AEJSXWLSSA-N 1 1 308.338 -1.137 20 0 DAADMO COCCNC(=O)C1(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001520231203 929654608 /nfs/dbraw/zinc/65/46/08/929654608.db2.gz KFXPKUWDOCULQS-NWDGAFQWSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@H]1C[N@@H+](C)CCN1C ZINC001519902927 929655143 /nfs/dbraw/zinc/65/51/43/929655143.db2.gz WESFNBCCBSCTLI-NNYUYHANSA-N 1 1 323.397 -1.465 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001521490513 929661366 /nfs/dbraw/zinc/66/13/66/929661366.db2.gz ZZQNMVGYMNNXFQ-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001521480488 929661594 /nfs/dbraw/zinc/66/15/94/929661594.db2.gz VMAQDBAJNPWDOL-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001521480488 929661599 /nfs/dbraw/zinc/66/15/99/929661599.db2.gz VMAQDBAJNPWDOL-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CN1CCN(c2ccc(CNC(=O)CNCC[NH3+])cn2)CC1 ZINC001521504407 929663072 /nfs/dbraw/zinc/66/30/72/929663072.db2.gz RVMWXLILEWISKV-UHFFFAOYSA-N 1 1 306.414 -1.002 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521504477 929663548 /nfs/dbraw/zinc/66/35/48/929663548.db2.gz VAMNSDODQCNPNO-QWHCGFSZSA-N 1 1 311.430 -1.454 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001522087567 929666318 /nfs/dbraw/zinc/66/63/18/929666318.db2.gz UFJUMHCRFYSRBI-ZFWWWQNUSA-N 1 1 307.442 -1.167 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001522087558 929666625 /nfs/dbraw/zinc/66/66/25/929666625.db2.gz UFJUMHCRFYSRBI-DZGCQCFKSA-N 1 1 307.442 -1.167 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001522446939 929671459 /nfs/dbraw/zinc/67/14/59/929671459.db2.gz RSTSMVWFXHWXHV-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1cnc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001522498136 929672031 /nfs/dbraw/zinc/67/20/31/929672031.db2.gz HOSLRXOYLNPPOC-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1cnc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001522498136 929672067 /nfs/dbraw/zinc/67/20/67/929672067.db2.gz HOSLRXOYLNPPOC-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO CC(=O)N(C)CC(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001522523538 929675377 /nfs/dbraw/zinc/67/53/77/929675377.db2.gz AMVOGQQCOROOMD-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC(C)[C@H](C(=O)NCCNC(=O)CS(C)(=O)=O)[NH+](C)C ZINC001522544183 929678678 /nfs/dbraw/zinc/67/86/78/929678678.db2.gz SBSMWBGKBWGPOU-LLVKDONJSA-N 1 1 307.416 -1.150 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)c(=O)[nH]c1=O ZINC001522556634 929680370 /nfs/dbraw/zinc/68/03/70/929680370.db2.gz JVRGSYLYPDWXPC-JTQLQIEISA-N 1 1 323.353 -1.574 20 0 DAADMO Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001522569146 929681383 /nfs/dbraw/zinc/68/13/83/929681383.db2.gz RGRAGJWYWUMURF-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001522569146 929681394 /nfs/dbraw/zinc/68/13/94/929681394.db2.gz RGRAGJWYWUMURF-LBPRGKRZSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1cc(CC(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1 ZINC001522570165 929681429 /nfs/dbraw/zinc/68/14/29/929681429.db2.gz VXKYMLKILCESGV-LBPRGKRZSA-N 1 1 309.370 -1.176 20 0 DAADMO Cc1cc(CC(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC001522570165 929681443 /nfs/dbraw/zinc/68/14/43/929681443.db2.gz VXKYMLKILCESGV-LBPRGKRZSA-N 1 1 309.370 -1.176 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CO[C@@H]2CCOC2)C1 ZINC001522572195 929681778 /nfs/dbraw/zinc/68/17/78/929681778.db2.gz YBFVQEUMVDICAG-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CO[C@@H]2CCOC2)C1 ZINC001522572195 929681782 /nfs/dbraw/zinc/68/17/82/929681782.db2.gz YBFVQEUMVDICAG-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CO[C@H]2CCOC2)C1 ZINC001522572194 929681944 /nfs/dbraw/zinc/68/19/44/929681944.db2.gz YBFVQEUMVDICAG-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CO[C@H]2CCOC2)C1 ZINC001522572194 929681950 /nfs/dbraw/zinc/68/19/50/929681950.db2.gz YBFVQEUMVDICAG-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001522567684 929682288 /nfs/dbraw/zinc/68/22/88/929682288.db2.gz ACHHASHWAUFVOB-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO Cc1cc(CC(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1 ZINC001522570164 929682675 /nfs/dbraw/zinc/68/26/75/929682675.db2.gz VXKYMLKILCESGV-GFCCVEGCSA-N 1 1 309.370 -1.176 20 0 DAADMO Cc1cc(CC(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1 ZINC001522570164 929682685 /nfs/dbraw/zinc/68/26/85/929682685.db2.gz VXKYMLKILCESGV-GFCCVEGCSA-N 1 1 309.370 -1.176 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001522583819 929683754 /nfs/dbraw/zinc/68/37/54/929683754.db2.gz XYQFTHZTMPQFEY-LLVKDONJSA-N 1 1 307.354 -1.050 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522652390 929690041 /nfs/dbraw/zinc/69/00/41/929690041.db2.gz GBSTWZFWRQQIAN-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522652385 929690189 /nfs/dbraw/zinc/69/01/89/929690189.db2.gz GBSTWZFWRQQIAN-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001522653744 929690312 /nfs/dbraw/zinc/69/03/12/929690312.db2.gz KZLOARIVXNCQIG-LLVKDONJSA-N 1 1 319.365 -1.022 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](C)CC(N)=O)C1 ZINC001522674986 929691777 /nfs/dbraw/zinc/69/17/77/929691777.db2.gz LSQKWQMKRAEJRN-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](C)CC(N)=O)C1 ZINC001522674986 929691783 /nfs/dbraw/zinc/69/17/83/929691783.db2.gz LSQKWQMKRAEJRN-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2ccnc2)C1 ZINC001522674560 929691926 /nfs/dbraw/zinc/69/19/26/929691926.db2.gz FVZDJQJFUBDZCU-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2ccnc2)C1 ZINC001522674560 929691934 /nfs/dbraw/zinc/69/19/34/929691934.db2.gz FVZDJQJFUBDZCU-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001522676504 929692222 /nfs/dbraw/zinc/69/22/22/929692222.db2.gz XVKZZWNCKQEONA-NSHDSACASA-N 1 1 323.353 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001522676504 929692229 /nfs/dbraw/zinc/69/22/29/929692229.db2.gz XVKZZWNCKQEONA-NSHDSACASA-N 1 1 323.353 -1.663 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)CCn1cnnn1 ZINC001522743212 929697705 /nfs/dbraw/zinc/69/77/05/929697705.db2.gz XTOPHPPAHBUTLV-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)Cn1ncn(C)c1=O ZINC001522735868 929698269 /nfs/dbraw/zinc/69/82/69/929698269.db2.gz OIYJNUABWQAVKJ-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCCNC(=O)Cn2cnnn2)C1 ZINC001522833455 929706140 /nfs/dbraw/zinc/70/61/40/929706140.db2.gz ZHYSLZLLEIQLOE-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CN1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001522872286 929710314 /nfs/dbraw/zinc/71/03/14/929710314.db2.gz XFKIMFMEFRDCND-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)Cn1ncnn1 ZINC001522923099 929711763 /nfs/dbraw/zinc/71/17/63/929711763.db2.gz UBOALGRSYOMMDG-UHFFFAOYSA-N 1 1 306.330 -1.499 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001522973061 929712874 /nfs/dbraw/zinc/71/28/74/929712874.db2.gz ZYUMJMMVPFUPLL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NCCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001523450146 929726757 /nfs/dbraw/zinc/72/67/57/929726757.db2.gz IXVGRZRIZSJROU-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CN(C)CCO1 ZINC001523578135 929727709 /nfs/dbraw/zinc/72/77/09/929727709.db2.gz FWEDLBMIUUQZNH-NSHDSACASA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCCNC(=O)c1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001523713573 929729171 /nfs/dbraw/zinc/72/91/71/929729171.db2.gz FNTHICLIIKDAGQ-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001524330015 929741397 /nfs/dbraw/zinc/74/13/97/929741397.db2.gz YWXBFVLDAFAJAB-RYUDHWBXSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001524330013 929741939 /nfs/dbraw/zinc/74/19/39/929741939.db2.gz YWXBFVLDAFAJAB-NEPJUHHUSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001526107869 929757343 /nfs/dbraw/zinc/75/73/43/929757343.db2.gz AZBURHAMXUDHIC-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC001526152246 929759089 /nfs/dbraw/zinc/75/90/89/929759089.db2.gz SGDGEVGPPUZYFL-CIGZNWKYSA-N 1 1 320.393 -1.079 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001526186239 929759607 /nfs/dbraw/zinc/75/96/07/929759607.db2.gz PKINXMVHVZESSA-MEWQQHAOSA-N 1 1 324.381 -1.133 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]21 ZINC001526265629 929761357 /nfs/dbraw/zinc/76/13/57/929761357.db2.gz DVNMUGUFQKUZMB-MSRIBSCDSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001526457186 929764291 /nfs/dbraw/zinc/76/42/91/929764291.db2.gz FGEZAKPZGMEDSP-ZJUUUORDSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001526457186 929764297 /nfs/dbraw/zinc/76/42/97/929764297.db2.gz FGEZAKPZGMEDSP-ZJUUUORDSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CNC(N)=O ZINC001526777231 929768238 /nfs/dbraw/zinc/76/82/38/929768238.db2.gz IBHCDGMUOSBXPR-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001526771136 929768993 /nfs/dbraw/zinc/76/89/93/929768993.db2.gz PZHQNHXDDBPZRQ-NXEZZACHSA-N 1 1 324.381 -1.388 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1(NC(N)=O)CC1 ZINC001527982486 929789733 /nfs/dbraw/zinc/78/97/33/929789733.db2.gz DISBAVVWSMDFRZ-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528007698 929790607 /nfs/dbraw/zinc/79/06/07/929790607.db2.gz ULRRZCQTIRMJHW-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCNC1=O ZINC001528007504 929791565 /nfs/dbraw/zinc/79/15/65/929791565.db2.gz RLDSTVMYSBSOML-MNOVXSKESA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCNC1=O ZINC001528007504 929791571 /nfs/dbraw/zinc/79/15/71/929791571.db2.gz RLDSTVMYSBSOML-MNOVXSKESA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528003904 929791692 /nfs/dbraw/zinc/79/16/92/929791692.db2.gz HAFONSZJUVEEEI-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528003904 929791708 /nfs/dbraw/zinc/79/17/08/929791708.db2.gz HAFONSZJUVEEEI-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CS(C)(=O)=O ZINC001528004115 929791939 /nfs/dbraw/zinc/79/19/39/929791939.db2.gz JFMRUWBPIAPMDR-SNVBAGLBSA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CS(C)(=O)=O ZINC001528004115 929791948 /nfs/dbraw/zinc/79/19/48/929791948.db2.gz JFMRUWBPIAPMDR-SNVBAGLBSA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)cn1 ZINC001528004875 929791980 /nfs/dbraw/zinc/79/19/80/929791980.db2.gz YXSXXRGSELSMPG-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)cn1 ZINC001528004875 929791988 /nfs/dbraw/zinc/79/19/88/929791988.db2.gz YXSXXRGSELSMPG-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001528269208 929801824 /nfs/dbraw/zinc/80/18/24/929801824.db2.gz YLNVXGIDLZOJTG-NSHDSACASA-N 1 1 313.402 -1.075 20 0 DAADMO CN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528335452 929803792 /nfs/dbraw/zinc/80/37/92/929803792.db2.gz AERMMMKMZDPXAB-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)Cc1nnc[nH]1 ZINC001528408113 929805554 /nfs/dbraw/zinc/80/55/54/929805554.db2.gz UGWBFJDFPOYBQC-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001528496016 929808586 /nfs/dbraw/zinc/80/85/86/929808586.db2.gz SVTMMWFHJWRTIE-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CCn2cnnn2)CC[N@H+]1C ZINC001528564802 929810570 /nfs/dbraw/zinc/81/05/70/929810570.db2.gz QZSYLVAQYJRAAZ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001528583200 929812790 /nfs/dbraw/zinc/81/27/90/929812790.db2.gz FBXFBVVUJUVNDX-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001528867461 929819661 /nfs/dbraw/zinc/81/96/61/929819661.db2.gz CXBQKJHFBOXBBA-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC001528910728 929821432 /nfs/dbraw/zinc/82/14/32/929821432.db2.gz PCCLFDXKUBWKIQ-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO C[C@@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC001528910727 929822094 /nfs/dbraw/zinc/82/20/94/929822094.db2.gz PCCLFDXKUBWKIQ-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO CCN(CCNC(=O)C(N)=O)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001529070079 929823887 /nfs/dbraw/zinc/82/38/87/929823887.db2.gz OQKYFQORCJZCPX-NSHDSACASA-N 1 1 324.385 -1.737 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CN2CCCCC(=O)C2=O)CC1 ZINC001529212314 929825296 /nfs/dbraw/zinc/82/52/96/929825296.db2.gz CBZOXTZIVWZQBV-UHFFFAOYSA-N 1 1 324.381 -1.542 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001530357159 929841149 /nfs/dbraw/zinc/84/11/49/929841149.db2.gz LGNWIFWUAWQJDM-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001530357159 929841152 /nfs/dbraw/zinc/84/11/52/929841152.db2.gz LGNWIFWUAWQJDM-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001530408778 929843832 /nfs/dbraw/zinc/84/38/32/929843832.db2.gz OUBKBUIGPYPZJR-UHFFFAOYSA-N 1 1 320.353 -1.281 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001530413888 929844231 /nfs/dbraw/zinc/84/42/31/929844231.db2.gz AFIMNGGNEWIXBJ-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001530413896 929844708 /nfs/dbraw/zinc/84/47/08/929844708.db2.gz AFIMNGGNEWIXBJ-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCCC(N)=O)C2)C1 ZINC001530389941 929845088 /nfs/dbraw/zinc/84/50/88/929845088.db2.gz SGJMGVZFCSOCGS-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCCC(N)=O)C2)C1 ZINC001530389941 929845093 /nfs/dbraw/zinc/84/50/93/929845093.db2.gz SGJMGVZFCSOCGS-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC(=O)NC)C2)C1 ZINC001530474726 929850065 /nfs/dbraw/zinc/85/00/65/929850065.db2.gz ROHVCSXJEYOHCK-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC(=O)NC)C2)C1 ZINC001530474726 929850079 /nfs/dbraw/zinc/85/00/79/929850079.db2.gz ROHVCSXJEYOHCK-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO COC[C@H](OC)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530635401 929859872 /nfs/dbraw/zinc/85/98/72/929859872.db2.gz HWSSSWAAZQAWAD-RYUDHWBXSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@H](OC)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530635401 929859883 /nfs/dbraw/zinc/85/98/83/929859883.db2.gz HWSSSWAAZQAWAD-RYUDHWBXSA-N 1 1 315.370 -1.695 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126218 929880354 /nfs/dbraw/zinc/88/03/54/929880354.db2.gz CHIOZLFJEDWIBN-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126218 929880363 /nfs/dbraw/zinc/88/03/63/929880363.db2.gz CHIOZLFJEDWIBN-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126220 929880906 /nfs/dbraw/zinc/88/09/06/929880906.db2.gz CHIOZLFJEDWIBN-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126220 929880912 /nfs/dbraw/zinc/88/09/12/929880912.db2.gz CHIOZLFJEDWIBN-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CNC(N)=O ZINC001531956710 929888805 /nfs/dbraw/zinc/88/88/05/929888805.db2.gz VBLNJBUPLGCPBY-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161093 929892727 /nfs/dbraw/zinc/89/27/27/929892727.db2.gz FHUVCNLNPLUPEP-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161093 929892735 /nfs/dbraw/zinc/89/27/35/929892735.db2.gz FHUVCNLNPLUPEP-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001532255790 929893788 /nfs/dbraw/zinc/89/37/88/929893788.db2.gz TWTFULXDYNJZDF-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001532255790 929893790 /nfs/dbraw/zinc/89/37/90/929893790.db2.gz TWTFULXDYNJZDF-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001532236439 929893803 /nfs/dbraw/zinc/89/38/03/929893803.db2.gz MPNWWVODAMPMFD-MNOVXSKESA-N 1 1 313.402 -1.264 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001532741829 929899003 /nfs/dbraw/zinc/89/90/03/929899003.db2.gz NTIVOKIBABFWCL-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147758 929908190 /nfs/dbraw/zinc/90/81/90/929908190.db2.gz IEQLTHNLECKOPQ-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147758 929908194 /nfs/dbraw/zinc/90/81/94/929908194.db2.gz IEQLTHNLECKOPQ-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)COC)C1 ZINC001533154446 929909125 /nfs/dbraw/zinc/90/91/25/929909125.db2.gz UYTKFGRJMXGIKA-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)COC)C1 ZINC001533154446 929909131 /nfs/dbraw/zinc/90/91/31/929909131.db2.gz UYTKFGRJMXGIKA-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)COC)C1 ZINC001533154425 929909272 /nfs/dbraw/zinc/90/92/72/929909272.db2.gz UYTKFGRJMXGIKA-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)COC)C1 ZINC001533154425 929909278 /nfs/dbraw/zinc/90/92/78/929909278.db2.gz UYTKFGRJMXGIKA-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)COC)C1 ZINC001533154439 929909643 /nfs/dbraw/zinc/90/96/43/929909643.db2.gz UYTKFGRJMXGIKA-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)COC)C1 ZINC001533154439 929909647 /nfs/dbraw/zinc/90/96/47/929909647.db2.gz UYTKFGRJMXGIKA-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001533159219 929910122 /nfs/dbraw/zinc/91/01/22/929910122.db2.gz YAAIYRCSMDDADX-MNOVXSKESA-N 1 1 300.359 -2.333 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001533169334 929912389 /nfs/dbraw/zinc/91/23/89/929912389.db2.gz SRUQAANNRIEUBZ-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001533174342 929915220 /nfs/dbraw/zinc/91/52/20/929915220.db2.gz FKKRWGQAMYVMGL-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)C)C1 ZINC001533184185 929916394 /nfs/dbraw/zinc/91/63/94/929916394.db2.gz XJSSGLJGYKVRSA-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)C)C1 ZINC001533184185 929916404 /nfs/dbraw/zinc/91/64/04/929916404.db2.gz XJSSGLJGYKVRSA-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)C)C1 ZINC001533184177 929916533 /nfs/dbraw/zinc/91/65/33/929916533.db2.gz XJSSGLJGYKVRSA-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)C)C1 ZINC001533184177 929916542 /nfs/dbraw/zinc/91/65/42/929916542.db2.gz XJSSGLJGYKVRSA-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)C)C1 ZINC001533184181 929916642 /nfs/dbraw/zinc/91/66/42/929916642.db2.gz XJSSGLJGYKVRSA-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)C)C1 ZINC001533184181 929916656 /nfs/dbraw/zinc/91/66/56/929916656.db2.gz XJSSGLJGYKVRSA-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)C)C1 ZINC001533184190 929917305 /nfs/dbraw/zinc/91/73/05/929917305.db2.gz XJSSGLJGYKVRSA-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)C)C1 ZINC001533184190 929917316 /nfs/dbraw/zinc/91/73/16/929917316.db2.gz XJSSGLJGYKVRSA-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001533207917 929924615 /nfs/dbraw/zinc/92/46/15/929924615.db2.gz MEUOQXWBXXQGKD-VHSXEESVSA-N 1 1 312.370 -2.061 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533205790 929924733 /nfs/dbraw/zinc/92/47/33/929924733.db2.gz UEMOEBWQEGHABO-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217510 929927906 /nfs/dbraw/zinc/92/79/06/929927906.db2.gz CFFQZGXFQNNUHQ-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217510 929927910 /nfs/dbraw/zinc/92/79/10/929927910.db2.gz CFFQZGXFQNNUHQ-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221314 929928350 /nfs/dbraw/zinc/92/83/50/929928350.db2.gz VERVTJRELNHJBT-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221314 929928356 /nfs/dbraw/zinc/92/83/56/929928356.db2.gz VERVTJRELNHJBT-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001533265603 929936600 /nfs/dbraw/zinc/93/66/00/929936600.db2.gz DXQLKCMLRQZUBT-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001533269313 929937536 /nfs/dbraw/zinc/93/75/36/929937536.db2.gz ZZNLNLYGJCMVTO-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO Cn1ncc(C(=O)NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001533433008 929947949 /nfs/dbraw/zinc/94/79/49/929947949.db2.gz NIODXUXONOUFRN-VSQXVHSFSA-N 1 1 322.369 -1.452 20 0 DAADMO Cn1ncc(C(=O)NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001533433008 929947954 /nfs/dbraw/zinc/94/79/54/929947954.db2.gz NIODXUXONOUFRN-VSQXVHSFSA-N 1 1 322.369 -1.452 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433259 929948834 /nfs/dbraw/zinc/94/88/34/929948834.db2.gz ODVVFHBYHNZLFO-KXMPLOMGSA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433259 929948846 /nfs/dbraw/zinc/94/88/46/929948846.db2.gz ODVVFHBYHNZLFO-KXMPLOMGSA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001533480637 929950443 /nfs/dbraw/zinc/95/04/43/929950443.db2.gz PRZVLMHBDCMILT-NPRAVPSUSA-N 1 1 310.354 -1.165 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)Cn2ncnn2)C1 ZINC001533508809 929950750 /nfs/dbraw/zinc/95/07/50/929950750.db2.gz JDEUCIAOGMJDCA-JDGPPOGSSA-N 1 1 321.385 -1.197 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)C2 ZINC001533896379 929958804 /nfs/dbraw/zinc/95/88/04/929958804.db2.gz AOKFXBMRGNRWTO-PSASIEDQSA-N 1 1 307.354 -1.140 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001534669284 929969470 /nfs/dbraw/zinc/96/94/70/929969470.db2.gz FZUFGJAMBCHHPG-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1)C1CCC1 ZINC001534871494 929977218 /nfs/dbraw/zinc/97/72/18/929977218.db2.gz KNDPRXHEJOVVAO-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1)C1CCC1 ZINC001534870716 929978443 /nfs/dbraw/zinc/97/84/43/929978443.db2.gz BBCWNCDWXYWHCC-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCN1C(=O)c1cn[nH]n1 ZINC001534917168 929979737 /nfs/dbraw/zinc/97/97/37/929979737.db2.gz PUVTXMAUAHRQQJ-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CCN1C(=O)c1cn[nH]n1 ZINC001534917163 929979859 /nfs/dbraw/zinc/97/98/59/929979859.db2.gz PUVTXMAUAHRQQJ-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001534988567 929980592 /nfs/dbraw/zinc/98/05/92/929980592.db2.gz BBUGOAYYMNRTQS-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064428 929984577 /nfs/dbraw/zinc/98/45/77/929984577.db2.gz MCSPCTXMCCTFCT-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064428 929984581 /nfs/dbraw/zinc/98/45/81/929984581.db2.gz MCSPCTXMCCTFCT-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)c2nnn(C)n2)C1 ZINC001535046939 929984914 /nfs/dbraw/zinc/98/49/14/929984914.db2.gz VURDWFHVKSEAMZ-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)c2nnn(C)n2)C1 ZINC001535046940 929985983 /nfs/dbraw/zinc/98/59/83/929985983.db2.gz VURDWFHVKSEAMZ-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001535278923 929991198 /nfs/dbraw/zinc/99/11/98/929991198.db2.gz QEXBHOXFZVEQCE-WDEREUQCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001535872854 929996527 /nfs/dbraw/zinc/99/65/27/929996527.db2.gz AIVZBHPPTGSCJS-GHMZBOCLSA-N 1 1 323.397 -1.083 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001535989105 929997554 /nfs/dbraw/zinc/99/75/54/929997554.db2.gz CSRZUDPLFNLCOA-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001536463050 930004231 /nfs/dbraw/zinc/00/42/31/930004231.db2.gz YQDUFDSKIIWQJD-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001536439714 930004275 /nfs/dbraw/zinc/00/42/75/930004275.db2.gz GRKCQVDNTVBRTP-JTQLQIEISA-N 1 1 322.369 -1.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1 ZINC001536742413 930008635 /nfs/dbraw/zinc/00/86/35/930008635.db2.gz OTFHDAVUYHMTJD-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1 ZINC001536742411 930009061 /nfs/dbraw/zinc/00/90/61/930009061.db2.gz OTFHDAVUYHMTJD-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001536894443 930012382 /nfs/dbraw/zinc/01/23/82/930012382.db2.gz NSSMPSPZLNRZSI-CQSZACIVSA-N 1 1 312.370 -1.699 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001537324270 930019184 /nfs/dbraw/zinc/01/91/84/930019184.db2.gz ADTWBANQUSCYPJ-SMDDNHRTSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001537324270 930019193 /nfs/dbraw/zinc/01/91/93/930019193.db2.gz ADTWBANQUSCYPJ-SMDDNHRTSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@@H](CO)C1 ZINC001548468582 930028970 /nfs/dbraw/zinc/02/89/70/930028970.db2.gz AILMBDDQKKESDX-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@@H](CO)C1 ZINC001548468582 930028978 /nfs/dbraw/zinc/02/89/78/930028978.db2.gz AILMBDDQKKESDX-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC001548427234 930029324 /nfs/dbraw/zinc/02/93/24/930029324.db2.gz PTKRHCSIXLVSQM-PELKAZGASA-N 1 1 308.342 -1.263 20 0 DAADMO O=C(C[C@@H]1CNCCS1(=O)=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001548556474 930031340 /nfs/dbraw/zinc/03/13/40/930031340.db2.gz LNEZHKNWQQDTNR-BDAKNGLRSA-N 1 1 311.354 -1.171 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)C(=O)N1CCOCC1 ZINC001548634455 930032669 /nfs/dbraw/zinc/03/26/69/930032669.db2.gz ISBUPWXFPFVDEL-FRRDWIJNSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001548647525 930032702 /nfs/dbraw/zinc/03/27/02/930032702.db2.gz VMTDXXOAWRBNNZ-JHJVBQTASA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CCOCC1 ZINC001548618931 930033315 /nfs/dbraw/zinc/03/33/15/930033315.db2.gz WBTNIUDVKMUION-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC001548650360 930033339 /nfs/dbraw/zinc/03/33/39/930033339.db2.gz LAVUFXKXSZPHJZ-IJLUTSLNSA-N 1 1 316.427 -1.346 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001548645092 930034875 /nfs/dbraw/zinc/03/48/75/930034875.db2.gz CPSBVWMYLSADTI-WDEREUQCSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CCOCC1 ZINC001548618924 930034960 /nfs/dbraw/zinc/03/49/60/930034960.db2.gz WBTNIUDVKMUION-CHWSQXEVSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(OCC(N)=O)CC1 ZINC001548642128 930034999 /nfs/dbraw/zinc/03/49/99/930034999.db2.gz UEPPJZVNOCHHDG-DGCLKSJQSA-N 1 1 310.398 -1.132 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CCO1 ZINC001548649243 930035450 /nfs/dbraw/zinc/03/54/50/930035450.db2.gz ITVRDZYUEMXFAY-YUTCNCBUSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CCOCC1 ZINC001548618929 930035840 /nfs/dbraw/zinc/03/58/40/930035840.db2.gz WBTNIUDVKMUION-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548626691 930036013 /nfs/dbraw/zinc/03/60/13/930036013.db2.gz FRXAELJSYWYJMX-CHWSQXEVSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001548724599 930039350 /nfs/dbraw/zinc/03/93/50/930039350.db2.gz QHROGHMQMOSPSL-MCIONIFRSA-N 1 1 323.441 -1.047 20 0 DAADMO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001548724603 930039583 /nfs/dbraw/zinc/03/95/83/930039583.db2.gz QHROGHMQMOSPSL-RDBSUJKOSA-N 1 1 323.441 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001548722062 930039877 /nfs/dbraw/zinc/03/98/77/930039877.db2.gz JKTZGSCZTJMYFY-BNOWGMLFSA-N 1 1 307.398 -1.172 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548712952 930040095 /nfs/dbraw/zinc/04/00/95/930040095.db2.gz PVOSNTLCMUTIBX-IJLUTSLNSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001548701923 930040923 /nfs/dbraw/zinc/04/09/23/930040923.db2.gz QRXHTXBSIPXPGW-XKGSQUFQSA-N 1 1 316.427 -1.429 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(=O)Nc1ccn(C)n1 ZINC001548694533 930041013 /nfs/dbraw/zinc/04/10/13/930041013.db2.gz UFRABILANYIWLC-WDEREUQCSA-N 1 1 306.370 -1.137 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548725986 930041242 /nfs/dbraw/zinc/04/12/42/930041242.db2.gz MKNKISQMOKWAIY-NDBYEHHHSA-N 1 1 311.382 -1.243 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001548734737 930042812 /nfs/dbraw/zinc/04/28/12/930042812.db2.gz BHHINELJYGBIPE-JMSVASOKSA-N 1 1 324.381 -1.288 20 0 DAADMO CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548791850 930043012 /nfs/dbraw/zinc/04/30/12/930043012.db2.gz FTALIXMKGHBWQH-DRZSPHRISA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548791850 930043025 /nfs/dbraw/zinc/04/30/25/930043025.db2.gz FTALIXMKGHBWQH-DRZSPHRISA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548791850 930043040 /nfs/dbraw/zinc/04/30/40/930043040.db2.gz FTALIXMKGHBWQH-DRZSPHRISA-N 1 1 320.397 -1.429 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001548731688 930043410 /nfs/dbraw/zinc/04/34/10/930043410.db2.gz QJGNDZQUCXOEIQ-RDBSUJKOSA-N 1 1 320.397 -1.106 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001548732865 930043736 /nfs/dbraw/zinc/04/37/36/930043736.db2.gz LYBDZKXREFYQLZ-GXSJLCMTSA-N 1 1 302.400 -1.865 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(O)(c2nccn2C)C1 ZINC001548780417 930043866 /nfs/dbraw/zinc/04/38/66/930043866.db2.gz HHNZRZQCGITECB-VXGBXAGGSA-N 1 1 305.382 -1.162 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC12COCCN1CCOC2 ZINC001548733522 930043894 /nfs/dbraw/zinc/04/38/94/930043894.db2.gz JCGVLUZIXINRJT-KBPBESRZSA-N 1 1 324.425 -1.408 20 0 DAADMO CCn1cc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)c(=O)[nH]c1=O ZINC001548770103 930044964 /nfs/dbraw/zinc/04/49/64/930044964.db2.gz NLYPAQQZDHVHEJ-PWSUYJOCSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548791852 930045764 /nfs/dbraw/zinc/04/57/64/930045764.db2.gz FTALIXMKGHBWQH-WCFLWFBJSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548791852 930045772 /nfs/dbraw/zinc/04/57/72/930045772.db2.gz FTALIXMKGHBWQH-WCFLWFBJSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548791852 930045782 /nfs/dbraw/zinc/04/57/82/930045782.db2.gz FTALIXMKGHBWQH-WCFLWFBJSA-N 1 1 320.397 -1.429 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001548811037 930046251 /nfs/dbraw/zinc/04/62/51/930046251.db2.gz SDPRQPYAFHLBKI-UHFFFAOYSA-N 1 1 322.413 -1.008 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001549045063 930046448 /nfs/dbraw/zinc/04/64/48/930046448.db2.gz SQTDUKRCKWHBLX-AGIUHOORSA-N 1 1 310.398 -1.166 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cn1ncn(C)c1=O ZINC001549044521 930046473 /nfs/dbraw/zinc/04/64/73/930046473.db2.gz BPDGGBFBEGUUSF-JTQLQIEISA-N 1 1 305.342 -1.512 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001548996217 930047370 /nfs/dbraw/zinc/04/73/70/930047370.db2.gz LHXSSGOOOZYUHH-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(CN[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)N1CCNC(=O)C1 ZINC001548966798 930047719 /nfs/dbraw/zinc/04/77/19/930047719.db2.gz POIPSFSDAORWHR-JHJVBQTASA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)N1CCNC(=O)C1 ZINC001548966798 930047731 /nfs/dbraw/zinc/04/77/31/930047731.db2.gz POIPSFSDAORWHR-JHJVBQTASA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H]1C(=O)N1CCOCC1 ZINC001549173546 930051619 /nfs/dbraw/zinc/05/16/19/930051619.db2.gz VOLWXQWSLDKSEY-GMTAPVOTSA-N 1 1 312.370 -1.858 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549301149 930051924 /nfs/dbraw/zinc/05/19/24/930051924.db2.gz PPAQIBVXDPDBCC-SRVKXCTJSA-N 1 1 310.398 -1.051 20 0 DAADMO CC(=O)N[C@]1(c2nc(C)no2)CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001549301794 930052794 /nfs/dbraw/zinc/05/27/94/930052794.db2.gz WJDLOQKDMMOMHO-SMDDNHRTSA-N 1 1 323.353 -1.070 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H](O)[C@@H](Oc3cnn(C)c3)C2)C1=O ZINC001549599163 930054516 /nfs/dbraw/zinc/05/45/16/930054516.db2.gz VOEYNKZQLSXBNR-WCQGTBRESA-N 1 1 323.353 -1.216 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H](O)[C@@H](Oc3cnn(C)c3)C2)C1=O ZINC001549599163 930054525 /nfs/dbraw/zinc/05/45/25/930054525.db2.gz VOEYNKZQLSXBNR-WCQGTBRESA-N 1 1 323.353 -1.216 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H](Oc3cnn(C)c3)[C@@H](O)C2)C1=O ZINC001549599165 930054763 /nfs/dbraw/zinc/05/47/63/930054763.db2.gz VOEYNKZQLSXBNR-ZMLRMANQSA-N 1 1 323.353 -1.216 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H](Oc3cnn(C)c3)[C@@H](O)C2)C1=O ZINC001549599165 930054774 /nfs/dbraw/zinc/05/47/74/930054774.db2.gz VOEYNKZQLSXBNR-ZMLRMANQSA-N 1 1 323.353 -1.216 20 0 DAADMO Cn1cc(O[C@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)C[C@H]2O)cn1 ZINC001549596059 930054814 /nfs/dbraw/zinc/05/48/14/930054814.db2.gz IBWIIVIQVXFBGN-NEPJUHHUSA-N 1 1 323.353 -1.262 20 0 DAADMO Cn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@H]2O)cn1 ZINC001549596059 930054826 /nfs/dbraw/zinc/05/48/26/930054826.db2.gz IBWIIVIQVXFBGN-NEPJUHHUSA-N 1 1 323.353 -1.262 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594906 930055333 /nfs/dbraw/zinc/05/53/33/930055333.db2.gz DRUBXBWOGNIFTQ-QWRGUYRKSA-N 1 1 311.342 -1.310 20 0 DAADMO Cc1c([C@@H]2C[N@H+]([C@@H]3CC(=O)N(C)C3=O)C[C@@H]2C(N)=O)cnn1C ZINC001549522478 930055413 /nfs/dbraw/zinc/05/54/13/930055413.db2.gz KDDRNAXWJCKEKM-SDDRHHMPSA-N 1 1 319.365 -1.013 20 0 DAADMO CCn1cc(O[C@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@H]2O)cn1 ZINC001549556011 930055450 /nfs/dbraw/zinc/05/54/50/930055450.db2.gz CNPFFJMTUTYGHR-BDAKNGLRSA-N 1 1 306.330 -1.119 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549594908 930055609 /nfs/dbraw/zinc/05/56/09/930055609.db2.gz DRUBXBWOGNIFTQ-WDEREUQCSA-N 1 1 311.342 -1.310 20 0 DAADMO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)CNCCO1 ZINC001550066603 930060073 /nfs/dbraw/zinc/06/00/73/930060073.db2.gz HYVJHVBYFRWKQC-YDHLFZDLSA-N 1 1 323.397 -1.322 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC001550092499 930061341 /nfs/dbraw/zinc/06/13/41/930061341.db2.gz HCVLVCLLLUNCEV-FRRDWIJNSA-N 1 1 310.398 -1.086 20 0 DAADMO CN1CC[NH+]([C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)CC1 ZINC001550002277 930061528 /nfs/dbraw/zinc/06/15/28/930061528.db2.gz SDBRTBNURUAKDL-AWEZNQCLSA-N 1 1 323.441 -1.391 20 0 DAADMO C[C@H](NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1CO)C(=O)N(C)C ZINC001550146176 930063137 /nfs/dbraw/zinc/06/31/37/930063137.db2.gz ZOVFWURSPFHFAE-XQQFMLRXSA-N 1 1 312.414 -1.280 20 0 DAADMO COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)CNCCO1 ZINC001550112867 930063237 /nfs/dbraw/zinc/06/32/37/930063237.db2.gz LMXGSGFOPWSESQ-ZOWXZIJZSA-N 1 1 323.397 -1.322 20 0 DAADMO CN1CCN([C@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC001550115549 930063496 /nfs/dbraw/zinc/06/34/96/930063496.db2.gz BETCWOFXGDTPLE-UONOGXRCSA-N 1 1 323.441 -1.297 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]1COCC2 ZINC001551428787 930066367 /nfs/dbraw/zinc/06/63/67/930066367.db2.gz WYFDVUGPFZXCFC-YGRLFVJLSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)[C@]12C[N@H+](CCC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551412278 930066941 /nfs/dbraw/zinc/06/69/41/930066941.db2.gz UUZPEMRMRNMRLO-XJKSGUPXSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551412278 930066950 /nfs/dbraw/zinc/06/69/50/930066950.db2.gz UUZPEMRMRNMRLO-XJKSGUPXSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNC3=O)C[C@@H]1COCC2 ZINC001551421699 930066976 /nfs/dbraw/zinc/06/69/76/930066976.db2.gz RFGXZWNWQAZPPE-YGRLFVJLSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)[C@]12C[N@H+](CC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551410449 930067759 /nfs/dbraw/zinc/06/77/59/930067759.db2.gz QFDNNLBDFOADCZ-SWLSCSKDSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551410449 930067774 /nfs/dbraw/zinc/06/77/74/930067774.db2.gz QFDNNLBDFOADCZ-SWLSCSKDSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCOCC3)C[C@H]1COCC2 ZINC001551416500 930067931 /nfs/dbraw/zinc/06/79/31/930067931.db2.gz FKTQDOYCKCIXMW-SWLSCSKDSA-N 1 1 311.382 -1.070 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@H](C)C2)nn1 ZINC001552163058 930070181 /nfs/dbraw/zinc/07/01/81/930070181.db2.gz SNYOXFRXPZJVDJ-NQBHXWOUSA-N 1 1 308.386 -1.200 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCNC[C@@H]2C)nn1 ZINC001552162088 930070498 /nfs/dbraw/zinc/07/04/98/930070498.db2.gz VOTXISPQXKBMFY-GMXVVIOVSA-N 1 1 308.386 -1.200 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](O)[C@@H](n3ccnn3)C2)C1 ZINC001552986887 930074212 /nfs/dbraw/zinc/07/42/12/930074212.db2.gz GEURFOXVOPUVGL-QWHCGFSZSA-N 1 1 308.386 -1.484 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001552987874 930074909 /nfs/dbraw/zinc/07/49/09/930074909.db2.gz OSBWQLJXFPTKHF-VXGBXAGGSA-N 1 1 319.427 -1.904 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001552987874 930074918 /nfs/dbraw/zinc/07/49/18/930074918.db2.gz OSBWQLJXFPTKHF-VXGBXAGGSA-N 1 1 319.427 -1.904 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)C1 ZINC001552981788 930074965 /nfs/dbraw/zinc/07/49/65/930074965.db2.gz KFSNTNHTZLZBDB-QWHCGFSZSA-N 1 1 310.398 -1.404 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC001556160329 930076782 /nfs/dbraw/zinc/07/67/82/930076782.db2.gz WQTNIDRXBXYXKP-WDEREUQCSA-N 1 1 321.385 -1.056 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC([NH2+]C3COC3)C2)c(=O)n(C)c1=O ZINC001558611455 930088283 /nfs/dbraw/zinc/08/82/83/930088283.db2.gz WKVDXXWZWBLCHW-ONEGZZNKSA-N 1 1 320.349 -1.704 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1)S(C)(=O)=O ZINC001559899186 930091445 /nfs/dbraw/zinc/09/14/45/930091445.db2.gz XZDMVDLISHDWKQ-MNOVXSKESA-N 1 1 323.415 -2.331 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1)S(C)(=O)=O ZINC001559899186 930091456 /nfs/dbraw/zinc/09/14/56/930091456.db2.gz XZDMVDLISHDWKQ-MNOVXSKESA-N 1 1 323.415 -2.331 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1)S(C)(=O)=O ZINC001559899187 930091535 /nfs/dbraw/zinc/09/15/35/930091535.db2.gz XZDMVDLISHDWKQ-QWRGUYRKSA-N 1 1 323.415 -2.331 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1)S(C)(=O)=O ZINC001559899187 930091543 /nfs/dbraw/zinc/09/15/43/930091543.db2.gz XZDMVDLISHDWKQ-QWRGUYRKSA-N 1 1 323.415 -2.331 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCC[N@H+](C)CCOCCO ZINC001561866053 930093822 /nfs/dbraw/zinc/09/38/22/930093822.db2.gz USUWOSBFOMUEIB-UHFFFAOYSA-N 1 1 307.376 -1.966 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCC[N@@H+](C)CCOCCO ZINC001561866053 930093834 /nfs/dbraw/zinc/09/38/34/930093834.db2.gz USUWOSBFOMUEIB-UHFFFAOYSA-N 1 1 307.376 -1.966 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]2C1 ZINC001564891863 930097263 /nfs/dbraw/zinc/09/72/63/930097263.db2.gz DJXCFYOPNONGFZ-WDEREUQCSA-N 1 1 320.415 -1.363 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001570922278 948639107 /nfs/dbraw/zinc/63/91/07/948639107.db2.gz HGRRBEFHHVHUPM-XROYCOCOSA-N 1 1 321.341 -1.650 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001588869937 962042465 /nfs/dbraw/zinc/04/24/65/962042465.db2.gz BJWGGJKQIITIGI-CQSZACIVSA-N 1 1 314.386 -1.099 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@H](C(=O)[O-])C1 ZINC001594584713 986466959 /nfs/dbraw/zinc/46/69/59/986466959.db2.gz LHUSLCXOFCUUCL-FRRDWIJNSA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001594584713 986466966 /nfs/dbraw/zinc/46/69/66/986466966.db2.gz LHUSLCXOFCUUCL-FRRDWIJNSA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001594584713 986466973 /nfs/dbraw/zinc/46/69/73/986466973.db2.gz LHUSLCXOFCUUCL-FRRDWIJNSA-N 1 1 310.398 -1.151 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)[O-])CC1=O ZINC001598230787 990935840 /nfs/dbraw/zinc/93/58/40/990935840.db2.gz HVMZPCIZDZULTB-LLVKDONJSA-N 1 1 314.386 -1.471 20 0 DAADMO COC(=O)[C@]1(O)CC[N@H+](CCC[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725471 995515094 /nfs/dbraw/zinc/51/50/94/995515094.db2.gz YEZACTBRNVNNRJ-KGLIPLIRSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](CCC[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725471 995515105 /nfs/dbraw/zinc/51/51/05/995515105.db2.gz YEZACTBRNVNNRJ-KGLIPLIRSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[NH+](CCC[N@@H+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725471 995515115 /nfs/dbraw/zinc/51/51/15/995515115.db2.gz YEZACTBRNVNNRJ-KGLIPLIRSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[NH+](CCC[N@H+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725471 995515120 /nfs/dbraw/zinc/51/51/20/995515120.db2.gz YEZACTBRNVNNRJ-KGLIPLIRSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C(=O)[O-] ZINC001598822606 996345851 /nfs/dbraw/zinc/34/58/51/996345851.db2.gz RNHJVBUKXPMHJM-GHMZBOCLSA-N 1 1 313.354 -1.386 20 0 DAADMO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191660042 781918829 /nfs/dbraw/zinc/91/88/29/781918829.db2.gz SZECGINMJPJHOP-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191660042 781918838 /nfs/dbraw/zinc/91/88/38/781918838.db2.gz SZECGINMJPJHOP-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720229 781918933 /nfs/dbraw/zinc/91/89/33/781918933.db2.gz QTPFMUDVGUDYCG-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720229 781918940 /nfs/dbraw/zinc/91/89/40/781918940.db2.gz QTPFMUDVGUDYCG-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001191667177 781919136 /nfs/dbraw/zinc/91/91/36/781919136.db2.gz SZJWQTFXSDABDB-SECBINFHSA-N 1 1 323.357 -1.285 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001191667177 781919139 /nfs/dbraw/zinc/91/91/39/781919139.db2.gz SZJWQTFXSDABDB-SECBINFHSA-N 1 1 323.357 -1.285 20 0 DAADMO Cn1c(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)c[nH]c1=O ZINC001191707811 781919413 /nfs/dbraw/zinc/91/94/13/781919413.db2.gz OWJMYLWDAZEXTJ-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO Cn1c(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c[nH]c1=O ZINC001191707811 781919424 /nfs/dbraw/zinc/91/94/24/781919424.db2.gz OWJMYLWDAZEXTJ-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001191773524 781920373 /nfs/dbraw/zinc/92/03/73/781920373.db2.gz XQGWTRXCRQYTPS-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001191773524 781920379 /nfs/dbraw/zinc/92/03/79/781920379.db2.gz XQGWTRXCRQYTPS-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720583 781920479 /nfs/dbraw/zinc/92/04/79/781920479.db2.gz UOOWBNHYXYCNPF-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720583 781920482 /nfs/dbraw/zinc/92/04/82/781920482.db2.gz UOOWBNHYXYCNPF-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191696305 781921474 /nfs/dbraw/zinc/92/14/74/781921474.db2.gz CTVSFNOCTYIOPV-GWOFURMSSA-N 1 1 301.343 -2.566 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191772970 781921677 /nfs/dbraw/zinc/92/16/77/781921677.db2.gz SDVQSGXRPJSYCP-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191772970 781921682 /nfs/dbraw/zinc/92/16/82/781921682.db2.gz SDVQSGXRPJSYCP-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698363 781921810 /nfs/dbraw/zinc/92/18/10/781921810.db2.gz YSJUNUSSGZVWCD-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770554 781921822 /nfs/dbraw/zinc/92/18/22/781921822.db2.gz HORXPIUVTKHOBP-QMMMGPOBSA-N 1 1 324.345 -2.188 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770554 781921828 /nfs/dbraw/zinc/92/18/28/781921828.db2.gz HORXPIUVTKHOBP-QMMMGPOBSA-N 1 1 324.345 -2.188 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720582 781921907 /nfs/dbraw/zinc/92/19/07/781921907.db2.gz UOOWBNHYXYCNPF-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720582 781921908 /nfs/dbraw/zinc/92/19/08/781921908.db2.gz UOOWBNHYXYCNPF-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676303613 545641802 /nfs/dbraw/zinc/64/18/02/545641802.db2.gz FVCGBIKUGKFERJ-HBNTYKKESA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303613 545641806 /nfs/dbraw/zinc/64/18/06/545641806.db2.gz FVCGBIKUGKFERJ-HBNTYKKESA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303612 545642155 /nfs/dbraw/zinc/64/21/55/545642155.db2.gz FVCGBIKUGKFERJ-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303612 545642151 /nfs/dbraw/zinc/64/21/51/545642151.db2.gz FVCGBIKUGKFERJ-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242652 545643897 /nfs/dbraw/zinc/64/38/97/545643897.db2.gz CQXBQQDAMZXBFR-UKKRHICBSA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242652 545643899 /nfs/dbraw/zinc/64/38/99/545643899.db2.gz CQXBQQDAMZXBFR-UKKRHICBSA-N 1 1 302.375 -1.371 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001191785783 781924458 /nfs/dbraw/zinc/92/44/58/781924458.db2.gz TYZYCLFYZJYHKJ-FRRDWIJNSA-N 1 1 301.387 -1.749 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CCNC(=O)C3CC3)C2)n1 ZINC001191781985 781924678 /nfs/dbraw/zinc/92/46/78/781924678.db2.gz YZIBWNFQTBORLF-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781674 781924723 /nfs/dbraw/zinc/92/47/23/781924723.db2.gz SIQOWYQTVBIFRE-NXEZZACHSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191789456 781924773 /nfs/dbraw/zinc/92/47/73/781924773.db2.gz FJQRDYRPCDFHSK-SFYZADRCSA-N 1 1 324.345 -2.060 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191784952 781925333 /nfs/dbraw/zinc/92/53/33/781925333.db2.gz MAGLKKMUGYDKKC-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001191807475 781925534 /nfs/dbraw/zinc/92/55/34/781925534.db2.gz QMKIPEGYVXFNBK-CYZMBNFOSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C1CNC(=O)N1CC[N@H+](CCO)CCN1CCOCC1 ZINC000444397850 545654587 /nfs/dbraw/zinc/65/45/87/545654587.db2.gz CNDKXJWISHBICY-UHFFFAOYSA-N 1 1 300.359 -1.835 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001191785517 781925973 /nfs/dbraw/zinc/92/59/73/781925973.db2.gz STVWZWPVZDSNDR-KXUCPTDWSA-N 1 1 313.358 -2.563 20 0 DAADMO COCC[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000668668534 545659190 /nfs/dbraw/zinc/65/91/90/545659190.db2.gz ZMFWYJNYHRBFPT-UHFFFAOYSA-N 1 1 308.404 -1.827 20 0 DAADMO COC(=O)Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001191859161 781926802 /nfs/dbraw/zinc/92/68/02/781926802.db2.gz YAPHSWNSJLTAPO-IHRRRGAJSA-N 1 1 319.365 -1.465 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823483 781926946 /nfs/dbraw/zinc/92/69/46/781926946.db2.gz MWYWCKMRBQVWIN-HBNTYKKESA-N 1 1 309.370 -1.005 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000665011900 545664554 /nfs/dbraw/zinc/66/45/54/545664554.db2.gz LFDHTYHFLYYTFH-NSHDSACASA-N 1 1 323.419 -2.252 20 0 DAADMO CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408015732 545666767 /nfs/dbraw/zinc/66/67/67/545666767.db2.gz DCPMDWKHYIBHLB-UHFFFAOYSA-N 1 1 311.342 -1.152 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191860164 781927992 /nfs/dbraw/zinc/92/79/92/781927992.db2.gz XUIGSGGWDCPYFO-KKJSVHSVSA-N 1 1 324.381 -1.005 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823062 781928173 /nfs/dbraw/zinc/92/81/73/781928173.db2.gz IYITYXAGKLUAQB-OPRDCNLKSA-N 1 1 311.342 -2.159 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823062 781928182 /nfs/dbraw/zinc/92/81/82/781928182.db2.gz IYITYXAGKLUAQB-OPRDCNLKSA-N 1 1 311.342 -2.159 20 0 DAADMO O=S1(=O)CCCN1CC[N@@H+](CCO)CCN1CCOCC1 ZINC000437571814 545687048 /nfs/dbraw/zinc/68/70/48/545687048.db2.gz WBAMQOCRHYLOSZ-UHFFFAOYSA-N 1 1 321.443 -1.352 20 0 DAADMO O=S1(=O)CCCN1CC[N@H+](CCO)CCN1CCOCC1 ZINC000437571814 545687057 /nfs/dbraw/zinc/68/70/57/545687057.db2.gz WBAMQOCRHYLOSZ-UHFFFAOYSA-N 1 1 321.443 -1.352 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191888214 781928957 /nfs/dbraw/zinc/92/89/57/781928957.db2.gz LCFPZVODXMVHAB-GMTAPVOTSA-N 1 1 302.371 -1.230 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001191888214 781928966 /nfs/dbraw/zinc/92/89/66/781928966.db2.gz LCFPZVODXMVHAB-GMTAPVOTSA-N 1 1 302.371 -1.230 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000647970161 545697949 /nfs/dbraw/zinc/69/79/49/545697949.db2.gz FTAZOVYNRKNHHN-CHWSQXEVSA-N 1 1 323.459 -1.061 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331160816 545699778 /nfs/dbraw/zinc/69/97/78/545699778.db2.gz LQWQAJAJZXSGGA-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331256043 545702518 /nfs/dbraw/zinc/70/25/18/545702518.db2.gz ZFNQTMNMDTVJHB-UHFFFAOYSA-N 1 1 306.388 -2.184 20 0 DAADMO COCCOCCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648369 545705417 /nfs/dbraw/zinc/70/54/17/545705417.db2.gz NZYJRFCJZAXWOZ-NWDGAFQWSA-N 1 1 308.400 -1.270 20 0 DAADMO COC(=O)C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)OC ZINC000343540402 545707237 /nfs/dbraw/zinc/70/72/37/545707237.db2.gz KLCCYYLXNXXOIP-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191944309 781930642 /nfs/dbraw/zinc/93/06/42/781930642.db2.gz AIUAPWBGCQGGRO-YNEHKIRRSA-N 1 1 302.371 -1.417 20 0 DAADMO CCOC(=O)C(NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000344374366 545711417 /nfs/dbraw/zinc/71/14/17/545711417.db2.gz SNODDHMTLNDLLT-SECBINFHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001191946837 781931499 /nfs/dbraw/zinc/93/14/99/781931499.db2.gz FPXCSJOOAPMGBH-RNCFNFMXSA-N 1 1 316.333 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001191946837 781931503 /nfs/dbraw/zinc/93/15/03/781931503.db2.gz FPXCSJOOAPMGBH-RNCFNFMXSA-N 1 1 316.333 -1.157 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001191986703 781933194 /nfs/dbraw/zinc/93/31/94/781933194.db2.gz FCQFADGOYBHMNF-IJLUTSLNSA-N 1 1 315.370 -1.781 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000347128070 545714298 /nfs/dbraw/zinc/71/42/98/545714298.db2.gz KDLKYBWVJRNWBD-MNOVXSKESA-N 1 1 302.375 -1.103 20 0 DAADMO Cn1nnnc1N1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000347516797 545716987 /nfs/dbraw/zinc/71/69/87/545716987.db2.gz GPSPWJIMGOUYQF-LLVKDONJSA-N 1 1 309.374 -1.374 20 0 DAADMO Cn1nnnc1N1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000347516797 545716994 /nfs/dbraw/zinc/71/69/94/545716994.db2.gz GPSPWJIMGOUYQF-LLVKDONJSA-N 1 1 309.374 -1.374 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001191986597 781934002 /nfs/dbraw/zinc/93/40/02/781934002.db2.gz CKLUBWSHZAHLDN-OPRDCNLKSA-N 1 1 308.342 -2.198 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(C)=O)CC2)C1 ZINC000350951596 545720358 /nfs/dbraw/zinc/72/03/58/545720358.db2.gz QFRQWKBVNDECKG-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN2CCN(C(C)=O)CC2)C1 ZINC000350951596 545720362 /nfs/dbraw/zinc/72/03/62/545720362.db2.gz QFRQWKBVNDECKG-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](O)CNc1nc(N2CCOCC2)nc(NC[C@H](C)O)[nH+]1 ZINC000351499700 545720496 /nfs/dbraw/zinc/72/04/96/545720496.db2.gz DGSQQJKVFHHETE-UWVGGRQHSA-N 1 1 312.374 -1.863 20 0 DAADMO C[C@H](O)CNc1nc(NC[C@H](C)O)[nH+]c(N2CCOCC2)n1 ZINC000351499700 545720501 /nfs/dbraw/zinc/72/05/01/545720501.db2.gz DGSQQJKVFHHETE-UWVGGRQHSA-N 1 1 312.374 -1.863 20 0 DAADMO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN(C)C ZINC000337070719 291078548 /nfs/dbraw/zinc/07/85/48/291078548.db2.gz OGPUPJNFBGSDKU-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001191915854 781934554 /nfs/dbraw/zinc/93/45/54/781934554.db2.gz DIOQNXYFOSBABJ-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000332054513 545728521 /nfs/dbraw/zinc/72/85/21/545728521.db2.gz WWMHXGWIGBFJCK-UHFFFAOYSA-N 1 1 308.404 -1.443 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@H]2NCN[C@H]21 ZINC001191973547 781936057 /nfs/dbraw/zinc/93/60/57/781936057.db2.gz SOIISYIKYIOBHC-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](CCO)CCN1CCOCC1 ZINC000337978095 545736430 /nfs/dbraw/zinc/73/64/30/545736430.db2.gz QHVWPXZILMKYME-UHFFFAOYSA-N 1 1 323.459 -1.058 20 0 DAADMO CN1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1=O ZINC000362755742 545743877 /nfs/dbraw/zinc/74/38/77/545743877.db2.gz ALALLRYZNUCTLY-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CCC1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191967601 781936742 /nfs/dbraw/zinc/93/67/42/781936742.db2.gz NXLUYXJVTRBUKD-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CCC1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191967601 781936754 /nfs/dbraw/zinc/93/67/54/781936754.db2.gz NXLUYXJVTRBUKD-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@H]2NCN[C@@H]21 ZINC001191973544 781936838 /nfs/dbraw/zinc/93/68/38/781936838.db2.gz SOIISYIKYIOBHC-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001191978472 781937167 /nfs/dbraw/zinc/93/71/67/781937167.db2.gz KSNDCLRVTHWTSW-JHJVBQTASA-N 1 1 313.398 -1.036 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001192013181 781938476 /nfs/dbraw/zinc/93/84/76/781938476.db2.gz LLKOKQBNERTGOR-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001192012149 781938995 /nfs/dbraw/zinc/93/89/95/781938995.db2.gz HMVVSPXLDMWTDW-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939574 /nfs/dbraw/zinc/93/95/74/781939574.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012199 781939584 /nfs/dbraw/zinc/93/95/84/781939584.db2.gz IPIPWECQRBCPLY-UPJWGTAASA-N 1 1 317.386 -2.513 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038772 781940463 /nfs/dbraw/zinc/94/04/63/781940463.db2.gz RZNSAPRTYPSZEK-YUMQZZPRSA-N 1 1 312.330 -2.605 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038772 781940473 /nfs/dbraw/zinc/94/04/73/781940473.db2.gz RZNSAPRTYPSZEK-YUMQZZPRSA-N 1 1 312.330 -2.605 20 0 DAADMO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037598 781940579 /nfs/dbraw/zinc/94/05/79/781940579.db2.gz JCUIITIXLHKITL-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038449 781941046 /nfs/dbraw/zinc/94/10/46/781941046.db2.gz QHQYOCHAWGBXSC-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038449 781941055 /nfs/dbraw/zinc/94/10/55/781941055.db2.gz QHQYOCHAWGBXSC-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037648 781941294 /nfs/dbraw/zinc/94/12/94/781941294.db2.gz JCUIITIXLHKITL-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037931 781941432 /nfs/dbraw/zinc/94/14/32/781941432.db2.gz MERAPAAFKNLDDA-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(/C=C/C1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192062500 781942613 /nfs/dbraw/zinc/94/26/13/781942613.db2.gz OHIYYJCQKZECRO-BLDJZWNYSA-N 1 1 322.365 -1.334 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038769 781941896 /nfs/dbraw/zinc/94/18/96/781941896.db2.gz RZNSAPRTYPSZEK-SFYZADRCSA-N 1 1 312.330 -2.605 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038769 781941902 /nfs/dbraw/zinc/94/19/02/781941902.db2.gz RZNSAPRTYPSZEK-SFYZADRCSA-N 1 1 312.330 -2.605 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038458 781941915 /nfs/dbraw/zinc/94/19/15/781941915.db2.gz QNDFPAYDYSJEEL-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038458 781941921 /nfs/dbraw/zinc/94/19/21/781941921.db2.gz QNDFPAYDYSJEEL-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C(/C=C/C1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192062500 781942622 /nfs/dbraw/zinc/94/26/22/781942622.db2.gz OHIYYJCQKZECRO-BLDJZWNYSA-N 1 1 322.365 -1.334 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192084228 781942545 /nfs/dbraw/zinc/94/25/45/781942545.db2.gz VTFDZTNDASDMCD-VIFPVBQESA-N 1 1 306.388 -1.927 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192084228 781942556 /nfs/dbraw/zinc/94/25/56/781942556.db2.gz VTFDZTNDASDMCD-VIFPVBQESA-N 1 1 306.388 -1.927 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072482 781942884 /nfs/dbraw/zinc/94/28/84/781942884.db2.gz FTALEULJHBDYMV-GHMZBOCLSA-N 1 1 303.359 -1.972 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072485 781943147 /nfs/dbraw/zinc/94/31/47/781943147.db2.gz FTALEULJHBDYMV-WDEREUQCSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072138 781943580 /nfs/dbraw/zinc/94/35/80/781943580.db2.gz AVIFNXDYXDUGDP-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082470 781943881 /nfs/dbraw/zinc/94/38/81/781943881.db2.gz HRLNHHKFDDFILE-NXEZZACHSA-N 1 1 320.415 -1.538 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072345 781944149 /nfs/dbraw/zinc/94/41/49/781944149.db2.gz DNQRNSRSVWGZHB-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072345 781944154 /nfs/dbraw/zinc/94/41/54/781944154.db2.gz DNQRNSRSVWGZHB-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102139 781945229 /nfs/dbraw/zinc/94/52/29/781945229.db2.gz MYJPEXFTGULIDN-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102139 781945241 /nfs/dbraw/zinc/94/52/41/781945241.db2.gz MYJPEXFTGULIDN-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001192110028 781945350 /nfs/dbraw/zinc/94/53/50/781945350.db2.gz SZNXOLXOUIBNDD-JHJVBQTASA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001192110028 781945359 /nfs/dbraw/zinc/94/53/59/781945359.db2.gz SZNXOLXOUIBNDD-JHJVBQTASA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001192110028 781945366 /nfs/dbraw/zinc/94/53/66/781945366.db2.gz SZNXOLXOUIBNDD-JHJVBQTASA-N 1 1 312.370 -1.571 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102251 781945605 /nfs/dbraw/zinc/94/56/05/781945605.db2.gz PLNGEGURENWCEC-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102251 781945612 /nfs/dbraw/zinc/94/56/12/781945612.db2.gz PLNGEGURENWCEC-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001192110031 781946456 /nfs/dbraw/zinc/94/64/56/781946456.db2.gz SZNXOLXOUIBNDD-YNEHKIRRSA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001192110031 781946463 /nfs/dbraw/zinc/94/64/63/781946463.db2.gz SZNXOLXOUIBNDD-YNEHKIRRSA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001192110031 781946470 /nfs/dbraw/zinc/94/64/70/781946470.db2.gz SZNXOLXOUIBNDD-YNEHKIRRSA-N 1 1 312.370 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001192171286 781947917 /nfs/dbraw/zinc/94/79/17/781947917.db2.gz COADBCUIIVMYRH-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001192171286 781947924 /nfs/dbraw/zinc/94/79/24/781947924.db2.gz COADBCUIIVMYRH-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192136813 781949291 /nfs/dbraw/zinc/94/92/91/781949291.db2.gz LYIWJAOHCKLSON-GIGCTMKZSA-N 1 1 310.354 -1.334 20 0 DAADMO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192136813 781949303 /nfs/dbraw/zinc/94/93/03/781949303.db2.gz LYIWJAOHCKLSON-GIGCTMKZSA-N 1 1 310.354 -1.334 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192095093 781949360 /nfs/dbraw/zinc/94/93/60/781949360.db2.gz ZMBBDTMEGXHMSS-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271137 781952433 /nfs/dbraw/zinc/95/24/33/781952433.db2.gz OKLKDKWMLPOEKL-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192270911 781953658 /nfs/dbraw/zinc/95/36/58/781953658.db2.gz LAEVNOANDKUYPX-HZSPNIEDSA-N 1 1 315.414 -1.097 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001192320326 781954300 /nfs/dbraw/zinc/95/43/00/781954300.db2.gz FVLCQERJIJPDEM-IVZWLZJFSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001192320326 781954309 /nfs/dbraw/zinc/95/43/09/781954309.db2.gz FVLCQERJIJPDEM-IVZWLZJFSA-N 1 1 315.326 -1.535 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192306729 781954887 /nfs/dbraw/zinc/95/48/87/781954887.db2.gz PGVHFVWNQQCEOQ-UMVBOHGHSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192306729 781954895 /nfs/dbraw/zinc/95/48/95/781954895.db2.gz PGVHFVWNQQCEOQ-UMVBOHGHSA-N 1 1 323.397 -1.010 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c1N ZINC001192328692 781954915 /nfs/dbraw/zinc/95/49/15/781954915.db2.gz KREYJYXTBZXKSK-GHMZBOCLSA-N 1 1 313.358 -2.214 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1N ZINC001192328692 781954906 /nfs/dbraw/zinc/95/49/06/781954906.db2.gz KREYJYXTBZXKSK-GHMZBOCLSA-N 1 1 313.358 -2.214 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320138 781954953 /nfs/dbraw/zinc/95/49/53/781954953.db2.gz AXNKGRRJFGZIQA-IVZWLZJFSA-N 1 1 315.330 -2.848 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192333706 781954997 /nfs/dbraw/zinc/95/49/97/781954997.db2.gz VISUWEMBHGIHJV-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192333706 781955005 /nfs/dbraw/zinc/95/50/05/781955005.db2.gz VISUWEMBHGIHJV-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320126 781955541 /nfs/dbraw/zinc/95/55/41/781955541.db2.gz ANHONGRZLGBGSK-GHMZBOCLSA-N 1 1 313.358 -1.428 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192320317 781955868 /nfs/dbraw/zinc/95/58/68/781955868.db2.gz FOMMVEGDNXDTAH-NXEZZACHSA-N 1 1 315.330 -2.846 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192320317 781955872 /nfs/dbraw/zinc/95/58/72/781955872.db2.gz FOMMVEGDNXDTAH-NXEZZACHSA-N 1 1 315.330 -2.846 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377104 781956893 /nfs/dbraw/zinc/95/68/93/781956893.db2.gz HYYLRGAJIODICT-UTUOFQBUSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377104 781956896 /nfs/dbraw/zinc/95/68/96/781956896.db2.gz HYYLRGAJIODICT-UTUOFQBUSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192351437 781958129 /nfs/dbraw/zinc/95/81/29/781958129.db2.gz FPLLSNBGOAIQRR-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192351437 781958121 /nfs/dbraw/zinc/95/81/21/781958121.db2.gz FPLLSNBGOAIQRR-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192420150 781958570 /nfs/dbraw/zinc/95/85/70/781958570.db2.gz LTSFKAWDIKKERY-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192420150 781958577 /nfs/dbraw/zinc/95/85/77/781958577.db2.gz LTSFKAWDIKKERY-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000653675036 545761552 /nfs/dbraw/zinc/76/15/52/545761552.db2.gz IGBPFNYAKAORQM-LBPRGKRZSA-N 1 1 324.447 -1.993 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001192391002 781958932 /nfs/dbraw/zinc/95/89/32/781958932.db2.gz ASXHTVOMPFIMAF-JHJVBQTASA-N 1 1 300.355 -1.498 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418914481 545765918 /nfs/dbraw/zinc/76/59/18/545765918.db2.gz FSUYFIDPNTXOPK-CHWSQXEVSA-N 1 1 312.414 -1.063 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)N1CCOCC1 ZINC000419683321 545768058 /nfs/dbraw/zinc/76/80/58/545768058.db2.gz KKCJJKKYHMCFQR-ZJUUUORDSA-N 1 1 322.356 -1.078 20 0 DAADMO O=C(CC1OCCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192420371 781959435 /nfs/dbraw/zinc/95/94/35/781959435.db2.gz QHMBIIRLZYRHJM-VXGBXAGGSA-N 1 1 318.370 -1.690 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc(OC)n1 ZINC001192428126 781959712 /nfs/dbraw/zinc/95/97/12/781959712.db2.gz PUXLLHGPJDAVRT-SDDRHHMPSA-N 1 1 308.342 -1.769 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000669657633 545769830 /nfs/dbraw/zinc/76/98/30/545769830.db2.gz PUIIRBNZLIIAMS-KXUCPTDWSA-N 1 1 308.404 -1.318 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000669657633 545769839 /nfs/dbraw/zinc/76/98/39/545769839.db2.gz PUIIRBNZLIIAMS-KXUCPTDWSA-N 1 1 308.404 -1.318 20 0 DAADMO CC[C@H](OC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424038721 545776150 /nfs/dbraw/zinc/77/61/50/545776150.db2.gz ISZLQJKIZILPLP-NSHDSACASA-N 1 1 305.400 -1.143 20 0 DAADMO COCCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424048993 545776260 /nfs/dbraw/zinc/77/62/60/545776260.db2.gz ZROJEMBVGPWPKF-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000443518460 545778749 /nfs/dbraw/zinc/77/87/49/545778749.db2.gz GIQBRYDKJMOYFF-ZJUUUORDSA-N 1 1 308.404 -1.317 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001192391622 781961076 /nfs/dbraw/zinc/96/10/76/781961076.db2.gz NUTKEIOYFJUYCR-GMTAPVOTSA-N 1 1 312.370 -2.048 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001192391622 781961083 /nfs/dbraw/zinc/96/10/83/781961083.db2.gz NUTKEIOYFJUYCR-GMTAPVOTSA-N 1 1 312.370 -2.048 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444224650 545780447 /nfs/dbraw/zinc/78/04/47/545780447.db2.gz USNCVPBEWCANHD-LLVKDONJSA-N 1 1 323.415 -1.276 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CNS(=O)(=O)N(C)C ZINC000616340997 372764760 /nfs/dbraw/zinc/76/47/60/372764760.db2.gz KGYDIXRSQWCUGD-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(CS(N)(=O)=O)CC1 ZINC000583942892 372764328 /nfs/dbraw/zinc/76/43/28/372764328.db2.gz RHCFPFNWUMPELD-CYBMUJFWSA-N 1 1 323.459 -1.074 20 0 DAADMO COCCN(C)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000583942892 372764335 /nfs/dbraw/zinc/76/43/35/372764335.db2.gz RHCFPFNWUMPELD-CYBMUJFWSA-N 1 1 323.459 -1.074 20 0 DAADMO O=C(CO)NC[C@]1(NC(=O)CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000643610905 372791397 /nfs/dbraw/zinc/79/13/97/372791397.db2.gz ZZJUFHVDWFBRIQ-MRXNPFEDSA-N 1 1 321.377 -1.152 20 0 DAADMO CNC(=O)NC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157679 372792612 /nfs/dbraw/zinc/79/26/12/372792612.db2.gz OMZXEDYQWXNWRL-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@@H]2CN(Cc3ccncc3)CCO2)n1 ZINC000624706639 372772204 /nfs/dbraw/zinc/77/22/04/372772204.db2.gz OGQXAOYSSWKXMX-LLVKDONJSA-N 1 1 316.369 -1.173 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000533545510 372781332 /nfs/dbraw/zinc/78/13/32/372781332.db2.gz CHSYXVFDDPMURG-NWDGAFQWSA-N 1 1 307.416 -1.697 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000533545645 372781695 /nfs/dbraw/zinc/78/16/95/372781695.db2.gz VLMGGPPIOPMZQW-SNVBAGLBSA-N 1 1 321.399 -1.369 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000608779708 372782648 /nfs/dbraw/zinc/78/26/48/372782648.db2.gz YLQPLFGAKWMRTB-SECBINFHSA-N 1 1 306.388 -1.154 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@]1(C)CO ZINC000558217093 372820853 /nfs/dbraw/zinc/82/08/53/372820853.db2.gz LRVNEJSDCMOLKR-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000558166597 372821643 /nfs/dbraw/zinc/82/16/43/372821643.db2.gz SMYOSJLTYHGZAM-NEPJUHHUSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000558166597 372821649 /nfs/dbraw/zinc/82/16/49/372821649.db2.gz SMYOSJLTYHGZAM-NEPJUHHUSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000558166604 372822046 /nfs/dbraw/zinc/82/20/46/372822046.db2.gz SMYOSJLTYHGZAM-NWDGAFQWSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000558166604 372822051 /nfs/dbraw/zinc/82/20/51/372822051.db2.gz SMYOSJLTYHGZAM-NWDGAFQWSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000558166607 372822166 /nfs/dbraw/zinc/82/21/66/372822166.db2.gz SMYOSJLTYHGZAM-VXGBXAGGSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000558166607 372822172 /nfs/dbraw/zinc/82/21/72/372822172.db2.gz SMYOSJLTYHGZAM-VXGBXAGGSA-N 1 1 310.416 -1.383 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703063 372806804 /nfs/dbraw/zinc/80/68/04/372806804.db2.gz OCUGKHFUWUEIHF-GARJFASQSA-N 1 1 305.400 -1.408 20 0 DAADMO CNC(=O)NC[C@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000625733426 372831952 /nfs/dbraw/zinc/83/19/52/372831952.db2.gz DWWSQGIFCKBQPK-OLZOCXBDSA-N 1 1 318.418 -1.445 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000600480761 372836428 /nfs/dbraw/zinc/83/64/28/372836428.db2.gz MPCBALDUHYTDSA-VXGBXAGGSA-N 1 1 318.443 -1.228 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000600480754 372837330 /nfs/dbraw/zinc/83/73/30/372837330.db2.gz MPCBALDUHYTDSA-NWDGAFQWSA-N 1 1 318.443 -1.228 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634781530 372841798 /nfs/dbraw/zinc/84/17/98/372841798.db2.gz DWGFMCMRDMETON-OKILXGFUSA-N 1 1 324.425 -1.203 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000077761247 372864146 /nfs/dbraw/zinc/86/41/46/372864146.db2.gz JLBLLPQZAKOELG-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000077761247 372864157 /nfs/dbraw/zinc/86/41/57/372864157.db2.gz JLBLLPQZAKOELG-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO O=C(CN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000238129359 372870184 /nfs/dbraw/zinc/87/01/84/372870184.db2.gz YZLDBHPNUSLYNC-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)(C)O ZINC000114204369 372858369 /nfs/dbraw/zinc/85/83/69/372858369.db2.gz AMZGBVMRRDRQNI-UHFFFAOYSA-N 1 1 312.370 -1.058 20 0 DAADMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC(C)(C)O ZINC000114204369 372858379 /nfs/dbraw/zinc/85/83/79/372858379.db2.gz AMZGBVMRRDRQNI-UHFFFAOYSA-N 1 1 312.370 -1.058 20 0 DAADMO CC(C)NC(=O)NCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035753 372859326 /nfs/dbraw/zinc/85/93/26/372859326.db2.gz AJHBPMRDLGCVOD-UHFFFAOYSA-N 1 1 307.420 -1.049 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O ZINC000626096846 372861563 /nfs/dbraw/zinc/86/15/63/372861563.db2.gz FMTCCXXPTNYRPG-NEPJUHHUSA-N 1 1 309.432 -1.451 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096847 372861664 /nfs/dbraw/zinc/86/16/64/372861664.db2.gz FMTCCXXPTNYRPG-NWDGAFQWSA-N 1 1 309.432 -1.451 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622630967 372888974 /nfs/dbraw/zinc/88/89/74/372888974.db2.gz COQOQTUALIKFNR-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204224 372889556 /nfs/dbraw/zinc/88/95/56/372889556.db2.gz IGVMRLILNDHRMJ-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](CNC(C)=O)C1 ZINC000562946041 372890761 /nfs/dbraw/zinc/89/07/61/372890761.db2.gz KGPMLVXGSHZGJZ-ZIAGYGMSSA-N 1 1 303.403 -1.238 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](CNC(C)=O)C1 ZINC000562945985 372892221 /nfs/dbraw/zinc/89/22/21/372892221.db2.gz KGPMLVXGSHZGJZ-KGLIPLIRSA-N 1 1 303.403 -1.238 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000635455566 372881116 /nfs/dbraw/zinc/88/11/16/372881116.db2.gz FBXIOENTEHJWFX-LBPRGKRZSA-N 1 1 317.386 -1.316 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000635481264 372882376 /nfs/dbraw/zinc/88/23/76/372882376.db2.gz RVXCXXYYQUBWLD-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000562442326 372882576 /nfs/dbraw/zinc/88/25/76/372882576.db2.gz OMDLRCQUOKVSEI-OLZOCXBDSA-N 1 1 303.403 -1.550 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000600974866 372884289 /nfs/dbraw/zinc/88/42/89/372884289.db2.gz DLUJSGYFZBXYLG-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1=O ZINC000562745655 372884941 /nfs/dbraw/zinc/88/49/41/372884941.db2.gz YIRMOXJAHLIGPL-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631741 372886946 /nfs/dbraw/zinc/88/69/46/372886946.db2.gz UGLAVYMQBQDZNT-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630695 372887848 /nfs/dbraw/zinc/88/78/48/372887848.db2.gz WAALXSHHWSUFNY-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000635957203 372902545 /nfs/dbraw/zinc/90/25/45/372902545.db2.gz GGASERWPACUWGT-UTUOFQBUSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000635957203 372902549 /nfs/dbraw/zinc/90/25/49/372902549.db2.gz GGASERWPACUWGT-UTUOFQBUSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C[NH+]1CCOCC1 ZINC000150722452 372902660 /nfs/dbraw/zinc/90/26/60/372902660.db2.gz QGXMYWYOEPUNLO-LBPRGKRZSA-N 1 1 324.381 -1.369 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000572981918 372904140 /nfs/dbraw/zinc/90/41/40/372904140.db2.gz FLOVKWVNDPRXLI-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000151452340 372905705 /nfs/dbraw/zinc/90/57/05/372905705.db2.gz DRNMYCQPGOFKGC-UHFFFAOYSA-N 1 1 303.388 -1.234 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000644041041 372914875 /nfs/dbraw/zinc/91/48/75/372914875.db2.gz YXMIOENKBWPRNC-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000644041041 372914880 /nfs/dbraw/zinc/91/48/80/372914880.db2.gz YXMIOENKBWPRNC-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644069907 372916876 /nfs/dbraw/zinc/91/68/76/372916876.db2.gz WZETZGYOXBKMBO-XQQFMLRXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC2COCCOC2)CC1 ZINC000644107233 372917124 /nfs/dbraw/zinc/91/71/24/372917124.db2.gz ZOUODVMQDSXNSV-UHFFFAOYSA-N 1 1 314.386 -1.135 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(=O)OC ZINC000570642284 372917146 /nfs/dbraw/zinc/91/71/46/372917146.db2.gz HPAWSGVSMXHWEZ-NURSFMCSSA-N 1 1 315.370 -1.076 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000570763528 372917579 /nfs/dbraw/zinc/91/75/79/372917579.db2.gz SKWVPLINRCZGOG-NWDGAFQWSA-N 1 1 314.386 -2.432 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1ncn(C)c1=O ZINC000636317394 372918869 /nfs/dbraw/zinc/91/88/69/372918869.db2.gz OCAXIQRCQCVAQH-UHFFFAOYSA-N 1 1 310.358 -2.186 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000636316013 372918913 /nfs/dbraw/zinc/91/89/13/372918913.db2.gz QDPAHNDGIQJBOA-ZDUSSCGKSA-N 1 1 323.397 -1.444 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626166315 372919070 /nfs/dbraw/zinc/91/90/70/372919070.db2.gz SNCBPCWYYZCOCK-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626166315 372919076 /nfs/dbraw/zinc/91/90/76/372919076.db2.gz SNCBPCWYYZCOCK-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccn2nnnc2c1 ZINC000636316808 372919115 /nfs/dbraw/zinc/91/91/15/372919115.db2.gz XYSZRGULXBLJNV-UHFFFAOYSA-N 1 1 317.353 -1.030 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1nc2n(n1)CCCN2 ZINC000636314547 372919283 /nfs/dbraw/zinc/91/92/83/372919283.db2.gz ANAOQGSHNRFKFU-UHFFFAOYSA-N 1 1 321.385 -1.803 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000636316009 372919511 /nfs/dbraw/zinc/91/95/11/372919511.db2.gz QDPAHNDGIQJBOA-CYBMUJFWSA-N 1 1 323.397 -1.444 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CS(=O)(=O)C1 ZINC000636316818 372920204 /nfs/dbraw/zinc/92/02/04/372920204.db2.gz YIFJXMBGERVSTI-UHFFFAOYSA-N 1 1 303.384 -1.737 20 0 DAADMO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166531 372936472 /nfs/dbraw/zinc/93/64/72/372936472.db2.gz FQQZQXUQMJBSBK-AEJSXWLSSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166531 372936482 /nfs/dbraw/zinc/93/64/82/372936482.db2.gz FQQZQXUQMJBSBK-AEJSXWLSSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC1(CO)CC1 ZINC000186812435 372939629 /nfs/dbraw/zinc/93/96/29/372939629.db2.gz BELRAZRLCWCCAT-VIFPVBQESA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CC1(CO)CC1 ZINC000186812435 372939634 /nfs/dbraw/zinc/93/96/34/372939634.db2.gz BELRAZRLCWCCAT-VIFPVBQESA-N 1 1 324.381 -1.058 20 0 DAADMO CNS(=O)(=O)Cc1ccc(CNc2nc(N)nc(N)[nH+]2)cc1 ZINC000623821695 372946778 /nfs/dbraw/zinc/94/67/78/372946778.db2.gz ATFCARXAKKTRDU-UHFFFAOYSA-N 1 1 323.382 -1.220 20 0 DAADMO COCCN1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1=O ZINC000364452402 372946859 /nfs/dbraw/zinc/94/68/59/372946859.db2.gz DTLRFTKCYQNOLW-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO COCCN1CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1=O ZINC000364452402 372946869 /nfs/dbraw/zinc/94/68/69/372946869.db2.gz DTLRFTKCYQNOLW-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000591885013 372961626 /nfs/dbraw/zinc/96/16/26/372961626.db2.gz VIMWHRAWTHDHLN-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000591885009 372961878 /nfs/dbraw/zinc/96/18/78/372961878.db2.gz VIMWHRAWTHDHLN-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000592105077 372963553 /nfs/dbraw/zinc/96/35/53/372963553.db2.gz SYSIUVMAAFNXLK-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201926 372966101 /nfs/dbraw/zinc/96/61/01/372966101.db2.gz WSOQNXUXRPIRPT-KOLCDFICSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201926 372966109 /nfs/dbraw/zinc/96/61/09/372966109.db2.gz WSOQNXUXRPIRPT-KOLCDFICSA-N 1 1 311.338 -1.560 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000592092581 372966156 /nfs/dbraw/zinc/96/61/56/372966156.db2.gz NYYPPRYRCVBSOE-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201929 372966266 /nfs/dbraw/zinc/96/62/66/372966266.db2.gz WSOQNXUXRPIRPT-ONGXEEELSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201929 372966275 /nfs/dbraw/zinc/96/62/75/372966275.db2.gz WSOQNXUXRPIRPT-ONGXEEELSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592193745 372967304 /nfs/dbraw/zinc/96/73/04/372967304.db2.gz BOLHQXKOIRQUBO-GHMZBOCLSA-N 1 1 316.354 -1.136 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592206408 372967624 /nfs/dbraw/zinc/96/76/24/372967624.db2.gz FVSKBTGAHDPCFK-UWVGGRQHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592206408 372967632 /nfs/dbraw/zinc/96/76/32/372967632.db2.gz FVSKBTGAHDPCFK-UWVGGRQHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592193766 372967922 /nfs/dbraw/zinc/96/79/22/372967922.db2.gz BOLHQXKOIRQUBO-QWRGUYRKSA-N 1 1 316.354 -1.136 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000592387946 372969503 /nfs/dbraw/zinc/96/95/03/372969503.db2.gz CXMXJBCQPKKKIM-UWVGGRQHSA-N 1 1 321.399 -1.370 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000592387945 372969636 /nfs/dbraw/zinc/96/96/36/372969636.db2.gz CXMXJBCQPKKKIM-NXEZZACHSA-N 1 1 321.399 -1.370 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000592210634 372970005 /nfs/dbraw/zinc/97/00/05/372970005.db2.gz ZKMDIPOZMSZREV-UPJWGTAASA-N 1 1 302.371 -1.465 20 0 DAADMO COCCOCCS(=O)(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592389099 372970112 /nfs/dbraw/zinc/97/01/12/372970112.db2.gz SAXUQAYVCQYIGD-LLVKDONJSA-N 1 1 324.399 -1.184 20 0 DAADMO COCCOCCS(=O)(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592389100 372970230 /nfs/dbraw/zinc/97/02/30/372970230.db2.gz SAXUQAYVCQYIGD-NSHDSACASA-N 1 1 324.399 -1.184 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000592387947 372970253 /nfs/dbraw/zinc/97/02/53/372970253.db2.gz CXMXJBCQPKKKIM-VHSXEESVSA-N 1 1 321.399 -1.370 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000592530303 372972004 /nfs/dbraw/zinc/97/20/04/372972004.db2.gz FRJTZGXFVDXFHM-KOLCDFICSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@@H]1CNCCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000592557528 372974333 /nfs/dbraw/zinc/97/43/33/372974333.db2.gz ZHJUVWQRCVJAPL-JQWIXIFHSA-N 1 1 314.386 -1.551 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000592936741 372977683 /nfs/dbraw/zinc/97/76/83/372977683.db2.gz LXYJAGCNPMJNGT-JHJVBQTASA-N 1 1 311.382 -1.241 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000592936739 372978459 /nfs/dbraw/zinc/97/84/59/372978459.db2.gz LXYJAGCNPMJNGT-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636619197 372954276 /nfs/dbraw/zinc/95/42/76/372954276.db2.gz XBWFNZDQVASBQT-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000594444243 372991933 /nfs/dbraw/zinc/99/19/33/372991933.db2.gz MOYJRDTXDXNCEY-ZJUUUORDSA-N 1 1 304.368 -1.073 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC000594394563 372992257 /nfs/dbraw/zinc/99/22/57/372992257.db2.gz XKMLHCDDQBEROW-VHSXEESVSA-N 1 1 309.326 -1.658 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CC[N@@H+](C)C1 ZINC000594368504 372992396 /nfs/dbraw/zinc/99/23/96/372992396.db2.gz BVMGMIVQHAEPJD-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000595339248 372998632 /nfs/dbraw/zinc/99/86/32/372998632.db2.gz VOHTVHMYDLFALG-MXWKQRLJSA-N 1 1 300.355 -1.034 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000595339248 372998640 /nfs/dbraw/zinc/99/86/40/372998640.db2.gz VOHTVHMYDLFALG-MXWKQRLJSA-N 1 1 300.355 -1.034 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000595334867 372999230 /nfs/dbraw/zinc/99/92/30/372999230.db2.gz ARYOMMOXFKGSCR-GRYCIOLGSA-N 1 1 300.355 -1.032 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000595453153 373000503 /nfs/dbraw/zinc/00/05/03/373000503.db2.gz DLAJWDCBVFSSED-IINYFYTJSA-N 1 1 313.354 -1.537 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000595525298 373000805 /nfs/dbraw/zinc/00/08/05/373000805.db2.gz QRYCFMOLGSKVLM-KXUCPTDWSA-N 1 1 309.322 -1.645 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000595525297 373001628 /nfs/dbraw/zinc/00/16/28/373001628.db2.gz QRYCFMOLGSKVLM-AEJSXWLSSA-N 1 1 309.322 -1.645 20 0 DAADMO COC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786353 373003511 /nfs/dbraw/zinc/00/35/11/373003511.db2.gz QAOFKRZAGHFHKT-WYFGTUCQSA-N 1 1 307.368 -1.346 20 0 DAADMO COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786353 373003516 /nfs/dbraw/zinc/00/35/16/373003516.db2.gz QAOFKRZAGHFHKT-WYFGTUCQSA-N 1 1 307.368 -1.346 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000595951943 373003539 /nfs/dbraw/zinc/00/35/39/373003539.db2.gz WBBYJDFRFXLJKX-JQWIXIFHSA-N 1 1 312.370 -1.700 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765239 373003871 /nfs/dbraw/zinc/00/38/71/373003871.db2.gz YWDYNLGNZMWWRL-SNVBAGLBSA-N 1 1 321.399 -1.369 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595765239 373003879 /nfs/dbraw/zinc/00/38/79/373003879.db2.gz YWDYNLGNZMWWRL-SNVBAGLBSA-N 1 1 321.399 -1.369 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000595948955 373004289 /nfs/dbraw/zinc/00/42/89/373004289.db2.gz UIKPOFMBACVQDS-LBPRGKRZSA-N 1 1 314.386 -1.501 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000595946722 373006749 /nfs/dbraw/zinc/00/67/49/373006749.db2.gz XMQIQBPPZNHMFI-WDEREUQCSA-N 1 1 314.386 -1.420 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987161 /nfs/dbraw/zinc/98/71/61/372987161.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987166 /nfs/dbraw/zinc/98/71/66/372987166.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016454 372987171 /nfs/dbraw/zinc/98/71/71/372987171.db2.gz XMKYRKYXQPJPAL-AGIUHOORSA-N 1 1 304.387 -1.219 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC(=O)OC)CC1 ZINC000593976338 372987571 /nfs/dbraw/zinc/98/75/71/372987571.db2.gz VPZJXIJRFSMQML-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000593898934 372987603 /nfs/dbraw/zinc/98/76/03/372987603.db2.gz NEVWFLIOFSRDAI-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000593898935 372987871 /nfs/dbraw/zinc/98/78/71/372987871.db2.gz NEVWFLIOFSRDAI-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1=CCOCC1 ZINC001192392167 781961309 /nfs/dbraw/zinc/96/13/09/781961309.db2.gz ZLBDUFCWCNSWJL-CHWSQXEVSA-N 1 1 300.355 -1.497 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1CC(=O)NC1=O ZINC000605896685 373029309 /nfs/dbraw/zinc/02/93/09/373029309.db2.gz OBICLHLQJROTTB-UHFFFAOYSA-N 1 1 311.342 -2.229 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1=CCOCC1 ZINC001192392167 781961311 /nfs/dbraw/zinc/96/13/11/781961311.db2.gz ZLBDUFCWCNSWJL-CHWSQXEVSA-N 1 1 300.355 -1.497 20 0 DAADMO COC(=O)c1cn([C@H]2CCCN(c3nc(N)nc(N)[nH+]3)C2)nn1 ZINC000599065949 373034715 /nfs/dbraw/zinc/03/47/15/373034715.db2.gz NPBRHSWWRLSBPJ-ZETCQYMHSA-N 1 1 319.329 -1.084 20 0 DAADMO COC(=O)c1cn(C2CCN(c3nc(N)nc(N)[nH+]3)CC2)nn1 ZINC000599065383 373035065 /nfs/dbraw/zinc/03/50/65/373035065.db2.gz JNOGJWLSUDXKFY-UHFFFAOYSA-N 1 1 319.329 -1.084 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)CN1CC[NH+](C)CC1 ZINC000599324498 373038529 /nfs/dbraw/zinc/03/85/29/373038529.db2.gz YQTLYRHMCRXJAY-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000599297133 373039015 /nfs/dbraw/zinc/03/90/15/373039015.db2.gz RYWLWFDVCFHRAU-QWRGUYRKSA-N 1 1 323.415 -1.194 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599569928 373048040 /nfs/dbraw/zinc/04/80/40/373048040.db2.gz RATAFLFQAMVFFM-ZDUSSCGKSA-N 1 1 302.327 -1.070 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599569928 373048048 /nfs/dbraw/zinc/04/80/48/373048048.db2.gz RATAFLFQAMVFFM-ZDUSSCGKSA-N 1 1 302.327 -1.070 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599693006 373049405 /nfs/dbraw/zinc/04/94/05/373049405.db2.gz NDBGXTLSWMPWOQ-VIFPVBQESA-N 1 1 306.388 -1.297 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000599693006 373049418 /nfs/dbraw/zinc/04/94/18/373049418.db2.gz NDBGXTLSWMPWOQ-VIFPVBQESA-N 1 1 306.388 -1.297 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000599692566 373049458 /nfs/dbraw/zinc/04/94/58/373049458.db2.gz JZMOOGAIQSHOSD-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000599692566 373049471 /nfs/dbraw/zinc/04/94/71/373049471.db2.gz JZMOOGAIQSHOSD-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663941 373050379 /nfs/dbraw/zinc/05/03/79/373050379.db2.gz IVNMUVDFMZWGRT-SNVBAGLBSA-N 1 1 301.343 -1.416 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599663941 373050386 /nfs/dbraw/zinc/05/03/86/373050386.db2.gz IVNMUVDFMZWGRT-SNVBAGLBSA-N 1 1 301.343 -1.416 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CSCC(N)=O ZINC000603634222 373068881 /nfs/dbraw/zinc/06/88/81/373068881.db2.gz KPDDGLKUKLSDGC-UHFFFAOYSA-N 1 1 302.400 -1.563 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+](C)C1 ZINC000602056055 373059893 /nfs/dbraw/zinc/05/98/93/373059893.db2.gz YPZJHFLUIVJUNH-JTQLQIEISA-N 1 1 323.353 -1.078 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000602056055 373059903 /nfs/dbraw/zinc/05/99/03/373059903.db2.gz YPZJHFLUIVJUNH-JTQLQIEISA-N 1 1 323.353 -1.078 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CC(=O)N(C)C1=O ZINC000627777123 373060718 /nfs/dbraw/zinc/06/07/18/373060718.db2.gz QAPSUFCNEGMIJJ-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000602359748 373064279 /nfs/dbraw/zinc/06/42/79/373064279.db2.gz IHPFVKKCGWKBTC-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000602359748 373064291 /nfs/dbraw/zinc/06/42/91/373064291.db2.gz IHPFVKKCGWKBTC-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000599306847 373040498 /nfs/dbraw/zinc/04/04/98/373040498.db2.gz LYBXOUWSPJXNBD-QWHCGFSZSA-N 1 1 304.387 -1.075 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599562859 373044756 /nfs/dbraw/zinc/04/47/56/373044756.db2.gz IRTWUEICXOWEGX-ZDUSSCGKSA-N 1 1 302.327 -1.070 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000599531909 373045271 /nfs/dbraw/zinc/04/52/71/373045271.db2.gz VOHTVHMYDLFALG-DCAQKATOSA-N 1 1 300.355 -1.034 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(CC(=O)N3CCNC(=O)C3)CC2)C1 ZINC000604389993 373074512 /nfs/dbraw/zinc/07/45/12/373074512.db2.gz NLTSEPFWYHCITQ-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000604722776 373076905 /nfs/dbraw/zinc/07/69/05/373076905.db2.gz FMLDSGTXOUPULK-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000604722776 373076912 /nfs/dbraw/zinc/07/69/12/373076912.db2.gz FMLDSGTXOUPULK-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H]1COCCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000637102641 373078332 /nfs/dbraw/zinc/07/83/32/373078332.db2.gz HVMTXCNVBVRSGB-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(N[C@H]1CO[C@@H](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637131452 373082791 /nfs/dbraw/zinc/08/27/91/373082791.db2.gz XMPLHODRWVQVTD-XJFOESAGSA-N 1 1 323.393 -1.053 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000049967962 373084181 /nfs/dbraw/zinc/08/41/81/373084181.db2.gz BXYDWZKHROAFJI-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336799721 373091682 /nfs/dbraw/zinc/09/16/82/373091682.db2.gz JSXRSTMBPYKTBA-JTQLQIEISA-N 1 1 313.445 -1.074 20 0 DAADMO C[C@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000337024992 373095447 /nfs/dbraw/zinc/09/54/47/373095447.db2.gz BXFNVLNLZKAZDZ-MNOVXSKESA-N 1 1 322.431 -1.069 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000337460555 373101126 /nfs/dbraw/zinc/10/11/26/373101126.db2.gz QTVASCWFYLLXJW-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000365719900 373102230 /nfs/dbraw/zinc/10/22/30/373102230.db2.gz SHHNWVAEXAPMDK-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000365719900 373102240 /nfs/dbraw/zinc/10/22/40/373102240.db2.gz SHHNWVAEXAPMDK-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO CC(C)[C@@H](CNC(=O)NCCS(N)(=O)=O)[NH+]1CCOCC1 ZINC000337575798 373104623 /nfs/dbraw/zinc/10/46/23/373104623.db2.gz WMCHIAQFKACBBS-LLVKDONJSA-N 1 1 322.431 -1.069 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000337660967 373105191 /nfs/dbraw/zinc/10/51/91/373105191.db2.gz LKXPEXFSOUQEAW-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[N@H+](CC(=O)NCC(=O)N1CCCC1)CC(C)(CO)CO ZINC000337721434 373107245 /nfs/dbraw/zinc/10/72/45/373107245.db2.gz WFHDMAAKHHJRRY-UHFFFAOYSA-N 1 1 301.387 -1.352 20 0 DAADMO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)CC(C)(CO)CO ZINC000337721434 373107262 /nfs/dbraw/zinc/10/72/62/373107262.db2.gz WFHDMAAKHHJRRY-UHFFFAOYSA-N 1 1 301.387 -1.352 20 0 DAADMO CC(C)(CNC(=O)C[N@H+](CCO)CCCO)N1CCOCC1 ZINC000354145181 373107667 /nfs/dbraw/zinc/10/76/67/373107667.db2.gz ZEHQLRCOPOXMMR-UHFFFAOYSA-N 1 1 317.430 -1.110 20 0 DAADMO CC(C)(CNC(=O)C[N@@H+](CCO)CCCO)N1CCOCC1 ZINC000354145181 373107680 /nfs/dbraw/zinc/10/76/80/373107680.db2.gz ZEHQLRCOPOXMMR-UHFFFAOYSA-N 1 1 317.430 -1.110 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000365817185 373109881 /nfs/dbraw/zinc/10/98/81/373109881.db2.gz HAQZTUAOEKPROB-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000365817185 373109890 /nfs/dbraw/zinc/10/98/90/373109890.db2.gz HAQZTUAOEKPROB-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CN(CC(=O)NC[C@H]1C[NH2+]CCN1C)c1ncnc2[nH]cnc21 ZINC000563208891 373113773 /nfs/dbraw/zinc/11/37/73/373113773.db2.gz FCCNSZSQNDNDPR-SNVBAGLBSA-N 1 1 318.385 -1.191 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)N2CC[NH+](C)CC2)C1 ZINC000637542087 373115778 /nfs/dbraw/zinc/11/57/78/373115778.db2.gz UWMZORFAKCVMCO-UHFFFAOYSA-N 1 1 305.404 -1.566 20 0 DAADMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000338596729 373116027 /nfs/dbraw/zinc/11/60/27/373116027.db2.gz FMQIYUNDIVKQBL-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO C[C@H](NC(=O)N(CCO)CCOCCO)[C@H]1C[N@H+](C)CCO1 ZINC000636949597 373071390 /nfs/dbraw/zinc/07/13/90/373071390.db2.gz INTBNRAXPFGDAO-QWHCGFSZSA-N 1 1 319.402 -1.282 20 0 DAADMO C[C@H](NC(=O)N(CCO)CCOCCO)[C@H]1C[N@@H+](C)CCO1 ZINC000636949597 373071395 /nfs/dbraw/zinc/07/13/95/373071395.db2.gz INTBNRAXPFGDAO-QWHCGFSZSA-N 1 1 319.402 -1.282 20 0 DAADMO C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000636949030 373072007 /nfs/dbraw/zinc/07/20/07/373072007.db2.gz AZFCPNKXBIKTKP-GXSJLCMTSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000636949030 373072016 /nfs/dbraw/zinc/07/20/16/373072016.db2.gz AZFCPNKXBIKTKP-GXSJLCMTSA-N 1 1 320.415 -1.352 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CC[N@@H+](C)C1 ZINC000413292313 373154726 /nfs/dbraw/zinc/15/47/26/373154726.db2.gz AGJPUMMKRBWLMN-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO COc1ccnc(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)c1 ZINC000262436288 373156062 /nfs/dbraw/zinc/15/60/62/373156062.db2.gz TVXHWISLXKGHRN-UHFFFAOYSA-N 1 1 307.354 -1.186 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000263783518 373158380 /nfs/dbraw/zinc/15/83/80/373158380.db2.gz PEUKIRYSUDVSTO-UHFFFAOYSA-N 1 1 318.399 -1.020 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000266220003 373163080 /nfs/dbraw/zinc/16/30/80/373163080.db2.gz LQDQCTYQVASQNA-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000563243821 373122308 /nfs/dbraw/zinc/12/23/08/373122308.db2.gz WMWFNNRGAWUHFB-ZYHUDNBSSA-N 1 1 320.415 -1.614 20 0 DAADMO CN(CCCNC(=O)C[N@H+](CCO)C1CC1)S(C)(=O)=O ZINC000339140386 373123200 /nfs/dbraw/zinc/12/32/00/373123200.db2.gz DGJVJZAMCAQYBE-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@@H+](CCO)C1CC1)S(C)(=O)=O ZINC000339140386 373123208 /nfs/dbraw/zinc/12/32/08/373123208.db2.gz DGJVJZAMCAQYBE-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCO)C1 ZINC000339726973 373130589 /nfs/dbraw/zinc/13/05/89/373130589.db2.gz ALISBJYMMXWICJ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(NCCCN1CCNC(=O)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534279592 373131771 /nfs/dbraw/zinc/13/17/71/373131771.db2.gz BVFTWJQZVCWEAT-CYBMUJFWSA-N 1 1 309.414 -1.686 20 0 DAADMO O=C(NCCCN1CCNC(=O)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534279596 373131914 /nfs/dbraw/zinc/13/19/14/373131914.db2.gz BVFTWJQZVCWEAT-ZDUSSCGKSA-N 1 1 309.414 -1.686 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000563372985 373134093 /nfs/dbraw/zinc/13/40/93/373134093.db2.gz FBBXQYUQIIFCAC-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627470755 373135899 /nfs/dbraw/zinc/13/58/99/373135899.db2.gz YTYPRLCQQXZCRS-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627470755 373135909 /nfs/dbraw/zinc/13/59/09/373135909.db2.gz YTYPRLCQQXZCRS-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627470755 373135916 /nfs/dbraw/zinc/13/59/16/373135916.db2.gz YTYPRLCQQXZCRS-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC000563516278 373136638 /nfs/dbraw/zinc/13/66/38/373136638.db2.gz HMQLXIHAOADSST-UHFFFAOYSA-N 1 1 308.382 -1.159 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000339860542 373138594 /nfs/dbraw/zinc/13/85/94/373138594.db2.gz UQKBRRWKXOEHTD-LLVKDONJSA-N 1 1 302.375 -1.150 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000263260510 373144040 /nfs/dbraw/zinc/14/40/40/373144040.db2.gz SIPMLFTVYXEXHV-BZPMIXESSA-N 1 1 314.430 -1.001 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCNC1=O ZINC000638173174 373210574 /nfs/dbraw/zinc/21/05/74/373210574.db2.gz CRMIBDCRMQQICK-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)N1CCNCC1=O ZINC000638222677 373211666 /nfs/dbraw/zinc/21/16/66/373211666.db2.gz OTFXAYGETOLTCR-RYUDHWBXSA-N 1 1 320.397 -1.287 20 0 DAADMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N1CCNCC1=O ZINC000638136787 373212495 /nfs/dbraw/zinc/21/24/95/373212495.db2.gz MHWVFSMSJBZKKW-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO O=C([C@H]1C[C@@H](O)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638348927 373215093 /nfs/dbraw/zinc/21/50/93/373215093.db2.gz DNVNBFCRGYQFDH-AOOOYVTPSA-N 1 1 303.384 -1.797 20 0 DAADMO Cn1c2ncn(C[C@@H](O)C[N@@H+](C)C3CC3)c2c(=O)n(C)c1=O ZINC000290729753 373219475 /nfs/dbraw/zinc/21/94/75/373219475.db2.gz FUWOJFGGHSPPCZ-JTQLQIEISA-N 1 1 307.354 -1.111 20 0 DAADMO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)N1CCNCC1=O ZINC000638423893 373220222 /nfs/dbraw/zinc/22/02/22/373220222.db2.gz CMAUPOGTUCMLIB-OLZOCXBDSA-N 1 1 309.414 -1.687 20 0 DAADMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000270902635 373175116 /nfs/dbraw/zinc/17/51/16/373175116.db2.gz MVRKHALDJJQZQC-AEJSXWLSSA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000270902635 373175126 /nfs/dbraw/zinc/17/51/26/373175126.db2.gz MVRKHALDJJQZQC-AEJSXWLSSA-N 1 1 324.381 -1.060 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000637671047 373178071 /nfs/dbraw/zinc/17/80/71/373178071.db2.gz CZZVBHOMBIMEGN-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000292549124 373224333 /nfs/dbraw/zinc/22/43/33/373224333.db2.gz YLJPRFSRVYHLEY-DGCLKSJQSA-N 1 1 310.398 -1.029 20 0 DAADMO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000637813065 373183530 /nfs/dbraw/zinc/18/35/30/373183530.db2.gz IYOUSIOOBOAGSZ-UPJWGTAASA-N 1 1 310.398 -1.227 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000072869187 373183664 /nfs/dbraw/zinc/18/36/64/373183664.db2.gz DMVBWTAQOHIOMV-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000072869187 373183670 /nfs/dbraw/zinc/18/36/70/373183670.db2.gz DMVBWTAQOHIOMV-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NCC(=O)N2CCNCC2)cn1 ZINC000637813270 373183946 /nfs/dbraw/zinc/18/39/46/373183946.db2.gz OKVFBVBRLYHRLH-UHFFFAOYSA-N 1 1 308.386 -1.394 20 0 DAADMO O[C@@H]1C[N@H+](Cc2cccc(CN3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628859 373189381 /nfs/dbraw/zinc/18/93/81/373189381.db2.gz GHISCPQVHGOBRV-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1C[N@@H+](Cc2cccc(CN3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628859 373189392 /nfs/dbraw/zinc/18/93/92/373189392.db2.gz GHISCPQVHGOBRV-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628859 373189407 /nfs/dbraw/zinc/18/94/07/373189407.db2.gz GHISCPQVHGOBRV-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000279356076 373190693 /nfs/dbraw/zinc/19/06/93/373190693.db2.gz VXECWJCGMDANQW-OAHLLOKOSA-N 1 1 320.349 -1.066 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000279356076 373190698 /nfs/dbraw/zinc/19/06/98/373190698.db2.gz VXECWJCGMDANQW-OAHLLOKOSA-N 1 1 320.349 -1.066 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)N2CCNCC2=O)C[C@H]1C ZINC000638105247 373208119 /nfs/dbraw/zinc/20/81/19/373208119.db2.gz GAWSKXZCQKZMOQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCN(C(=O)[C@@H](C)N2CCNCC2=O)C[C@H]1C ZINC000638105247 373208142 /nfs/dbraw/zinc/20/81/42/373208142.db2.gz GAWSKXZCQKZMOQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686771 373274814 /nfs/dbraw/zinc/27/48/14/373274814.db2.gz WSKFIDNXMNJJMH-LLVKDONJSA-N 1 1 300.403 -1.193 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686771 373274821 /nfs/dbraw/zinc/27/48/21/373274821.db2.gz WSKFIDNXMNJJMH-LLVKDONJSA-N 1 1 300.403 -1.193 20 0 DAADMO O=C(NC[C@]1(OCCO)CCOC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000617709090 373277261 /nfs/dbraw/zinc/27/72/61/373277261.db2.gz PSDNUXQVIKZWDD-DZGCQCFKSA-N 1 1 313.398 -1.340 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000340463295 373230432 /nfs/dbraw/zinc/23/04/32/373230432.db2.gz HCMTVJDUXPUVQM-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000340463295 373230439 /nfs/dbraw/zinc/23/04/39/373230439.db2.gz HCMTVJDUXPUVQM-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000340464146 373231028 /nfs/dbraw/zinc/23/10/28/373231028.db2.gz JAJNJRMQHAYGKP-NSHDSACASA-N 1 1 314.386 -1.725 20 0 DAADMO Cn1cnn(CCC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1=O ZINC000294776606 373233365 /nfs/dbraw/zinc/23/33/65/373233365.db2.gz NOBHXEPLSQHJNT-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000341715357 373240605 /nfs/dbraw/zinc/24/06/05/373240605.db2.gz FTPFNWYTNHFMSS-VXGBXAGGSA-N 1 1 321.385 -1.458 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000342653409 373247091 /nfs/dbraw/zinc/24/70/91/373247091.db2.gz WHEXERLKDVPDDH-LLVKDONJSA-N 1 1 303.359 -1.788 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cnn(C)c2)C1 ZINC000343186487 373250082 /nfs/dbraw/zinc/25/00/82/373250082.db2.gz QTWOCYANEMGBST-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO CN1CCN(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000328919237 373251280 /nfs/dbraw/zinc/25/12/80/373251280.db2.gz APWUTTOZTNCJEG-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1 ZINC000328915750 373251637 /nfs/dbraw/zinc/25/16/37/373251637.db2.gz ABUUYTRCBYXNDW-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1 ZINC000328915750 373251644 /nfs/dbraw/zinc/25/16/44/373251644.db2.gz ABUUYTRCBYXNDW-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)C1=O ZINC000328936351 373252309 /nfs/dbraw/zinc/25/23/09/373252309.db2.gz FWZJVPBVWRDAHC-IAQYHMDHSA-N 1 1 321.381 -1.267 20 0 DAADMO CN1CCN(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000328919235 373252936 /nfs/dbraw/zinc/25/29/36/373252936.db2.gz APWUTTOZTNCJEG-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CCN(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000328919236 373253176 /nfs/dbraw/zinc/25/31/76/373253176.db2.gz APWUTTOZTNCJEG-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1 ZINC000328915747 373253245 /nfs/dbraw/zinc/25/32/45/373253245.db2.gz ABUUYTRCBYXNDW-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1 ZINC000328915747 373253252 /nfs/dbraw/zinc/25/32/52/373253252.db2.gz ABUUYTRCBYXNDW-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO COCCN1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000328664852 373253289 /nfs/dbraw/zinc/25/32/89/373253289.db2.gz BXSZUWPIPRPDTJ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+](CCCF)CC2)C1=O ZINC000627958584 373258912 /nfs/dbraw/zinc/25/89/12/373258912.db2.gz ZGNYYTQUFCCZGE-UHFFFAOYSA-N 1 1 314.317 -1.089 20 0 DAADMO CCS(=O)(=O)N(C)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623956385 373266044 /nfs/dbraw/zinc/26/60/44/373266044.db2.gz CFEGRRCIBBBIQV-UHFFFAOYSA-N 1 1 315.403 -1.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623227749 373266126 /nfs/dbraw/zinc/26/61/26/373266126.db2.gz LGBLDLJLKCFLRA-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000623227750 373266226 /nfs/dbraw/zinc/26/62/26/373266226.db2.gz LGBLDLJLKCFLRA-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000623226668 373266421 /nfs/dbraw/zinc/26/64/21/373266421.db2.gz WRMPRQGIYKRGTR-VIFPVBQESA-N 1 1 301.372 -1.259 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCO[C@H](Cn3ccnn3)C2)CC1 ZINC000639860654 373289095 /nfs/dbraw/zinc/28/90/95/373289095.db2.gz RXSUBMSJBPHQBR-ZDUSSCGKSA-N 1 1 308.386 -1.247 20 0 DAADMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000639857882 373289118 /nfs/dbraw/zinc/28/91/18/373289118.db2.gz WCIBPVSLYOJXHQ-IUODEOHRSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000174831134 373298827 /nfs/dbraw/zinc/29/88/27/373298827.db2.gz AZUULBBUFKUGLL-NEPJUHHUSA-N 1 1 320.459 -1.076 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC[C@H](CO)C3)c2c(=O)n(C)c1=O ZINC000174710193 373299075 /nfs/dbraw/zinc/29/90/75/373299075.db2.gz HGCPYPSYAZRHCW-JTQLQIEISA-N 1 1 307.354 -1.252 20 0 DAADMO CNC(=O)[C@H]1CCCN1CC(O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000181790513 373300396 /nfs/dbraw/zinc/30/03/96/373300396.db2.gz OXVOWJKPPDCVDR-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000184058182 373301202 /nfs/dbraw/zinc/30/12/02/373301202.db2.gz FYEOEYDKASAWPV-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944310 373303485 /nfs/dbraw/zinc/30/34/85/373303485.db2.gz AUOHJLMLPSFRHI-TXEJJXNPSA-N 1 1 303.384 -1.090 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943655 373304468 /nfs/dbraw/zinc/30/44/68/373304468.db2.gz CJNSMPQUBSRVLW-LEWSCRJBSA-N 1 1 300.355 -1.005 20 0 DAADMO C[C@]12C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC000639952489 373307250 /nfs/dbraw/zinc/30/72/50/373307250.db2.gz UCQYFRHCLJDYRW-DFBGVHRSSA-N 1 1 311.382 -1.336 20 0 DAADMO Cc1nnc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1C ZINC000639972735 373307485 /nfs/dbraw/zinc/30/74/85/373307485.db2.gz BFSLPKZGEAIKQA-CQSZACIVSA-N 1 1 324.429 -1.061 20 0 DAADMO CN(CC(=O)NC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640060092 373308716 /nfs/dbraw/zinc/30/87/16/373308716.db2.gz ZSHGLECNTWDBNP-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCCS(=O)(=O)N(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000640058233 373308868 /nfs/dbraw/zinc/30/88/68/373308868.db2.gz KLNBMYQWAOEHKJ-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CCOCCNC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059674 373309900 /nfs/dbraw/zinc/30/99/00/373309900.db2.gz VXGMGAYINIEFBT-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CNS(=O)(=O)CCCN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060040 373310195 /nfs/dbraw/zinc/31/01/95/373310195.db2.gz XMJQHDXAUNMAQG-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000610926843 373315428 /nfs/dbraw/zinc/31/54/28/373315428.db2.gz OCLBKZLSUQXLHE-GXSJLCMTSA-N 1 1 311.342 -1.100 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000610926843 373315437 /nfs/dbraw/zinc/31/54/37/373315437.db2.gz OCLBKZLSUQXLHE-GXSJLCMTSA-N 1 1 311.342 -1.100 20 0 DAADMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000048580580 373316546 /nfs/dbraw/zinc/31/65/46/373316546.db2.gz LGEBWTILCIIKBJ-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000048580580 373316556 /nfs/dbraw/zinc/31/65/56/373316556.db2.gz LGEBWTILCIIKBJ-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000419355013 373319538 /nfs/dbraw/zinc/31/95/38/373319538.db2.gz LRCLVYCYACUQLA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000419355013 373319551 /nfs/dbraw/zinc/31/95/51/373319551.db2.gz LRCLVYCYACUQLA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COC(=O)CCNC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000567111345 373319822 /nfs/dbraw/zinc/31/98/22/373319822.db2.gz WNTUUNLPJXJSSM-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)CN2CCOCC2=O)CC1 ZINC000548060218 373321415 /nfs/dbraw/zinc/32/14/15/373321415.db2.gz AJLFIZQHTUUTNB-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO NC(=O)Cn1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1=O ZINC000626598177 373323654 /nfs/dbraw/zinc/32/36/54/373323654.db2.gz WPCIWBISXFCEJI-NSHDSACASA-N 1 1 323.353 -1.478 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000626669915 373326405 /nfs/dbraw/zinc/32/64/05/373326405.db2.gz GQAMARNNGBWGOP-UHFFFAOYSA-N 1 1 306.326 -1.048 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000572052200 373328282 /nfs/dbraw/zinc/32/82/82/373328282.db2.gz PQRXOLNDIXOQGP-JTQLQIEISA-N 1 1 308.404 -1.997 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639649198 373281264 /nfs/dbraw/zinc/28/12/64/373281264.db2.gz WYIPKSVWBYEZQZ-JTQLQIEISA-N 1 1 300.388 -1.153 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000026169559 373284299 /nfs/dbraw/zinc/28/42/99/373284299.db2.gz RYDVMMVSTRHWNS-UHFFFAOYSA-N 1 1 307.376 -2.005 20 0 DAADMO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320942467 373284338 /nfs/dbraw/zinc/28/43/38/373284338.db2.gz UAYZVWJIYAJNHM-YGRLFVJLSA-N 1 1 315.370 -1.388 20 0 DAADMO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320942467 373284344 /nfs/dbraw/zinc/28/43/44/373284344.db2.gz UAYZVWJIYAJNHM-YGRLFVJLSA-N 1 1 315.370 -1.388 20 0 DAADMO Cc1nn(CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(=O)n1C ZINC000628585826 373374450 /nfs/dbraw/zinc/37/44/50/373374450.db2.gz XYDOXEVOOANORI-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628584846 373374706 /nfs/dbraw/zinc/37/47/06/373374706.db2.gz MATXCLKJRLTJLO-UONOGXRCSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628584846 373374713 /nfs/dbraw/zinc/37/47/13/373374713.db2.gz MATXCLKJRLTJLO-UONOGXRCSA-N 1 1 323.441 -1.168 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261894380 373331823 /nfs/dbraw/zinc/33/18/23/373331823.db2.gz GYPYTBITPKSKEE-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580448157 373344750 /nfs/dbraw/zinc/34/47/50/373344750.db2.gz CAMXFBMWQFUJBO-SNVBAGLBSA-N 1 1 316.383 -2.289 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000612016437 373344950 /nfs/dbraw/zinc/34/49/50/373344950.db2.gz OOUUHYOXJOMBMT-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)S1(=O)=O ZINC000423586382 373347953 /nfs/dbraw/zinc/34/79/53/373347953.db2.gz BBHWXUXGRQZDLM-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424044446 373349282 /nfs/dbraw/zinc/34/92/82/373349282.db2.gz RUDCXDZJGDLOBL-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2COCC[NH2+]2)CC(=O)N1C ZINC000424181309 373351967 /nfs/dbraw/zinc/35/19/67/373351967.db2.gz BWIRVVHLYJHTJK-GIPNMCIBSA-N 1 1 307.354 -1.204 20 0 DAADMO C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000612669447 373359005 /nfs/dbraw/zinc/35/90/05/373359005.db2.gz GUUJRQTVPXRUHU-ZGYLKHSLSA-N 1 1 300.355 -1.766 20 0 DAADMO C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669447 373359009 /nfs/dbraw/zinc/35/90/09/373359009.db2.gz GUUJRQTVPXRUHU-ZGYLKHSLSA-N 1 1 300.355 -1.766 20 0 DAADMO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000612669663 373359364 /nfs/dbraw/zinc/35/93/64/373359364.db2.gz HIJYYRBFHOAQKI-NXEZZACHSA-N 1 1 308.404 -1.782 20 0 DAADMO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000612669663 373359371 /nfs/dbraw/zinc/35/93/71/373359371.db2.gz HIJYYRBFHOAQKI-NXEZZACHSA-N 1 1 308.404 -1.782 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912112 373413417 /nfs/dbraw/zinc/41/34/17/373413417.db2.gz KHNORGANZKSTIW-WDEREUQCSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817196 373413790 /nfs/dbraw/zinc/41/37/90/373413790.db2.gz ZXTKLBMTVDPAKU-BFHYXJOUSA-N 1 1 324.425 -1.280 20 0 DAADMO CC(C)[C@H]1CNCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817196 373413802 /nfs/dbraw/zinc/41/38/02/373413802.db2.gz ZXTKLBMTVDPAKU-BFHYXJOUSA-N 1 1 324.425 -1.280 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000629820097 373414210 /nfs/dbraw/zinc/41/42/10/373414210.db2.gz WNTKHUPAYZSTCX-ZDUSSCGKSA-N 1 1 310.398 -1.107 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914849 373415719 /nfs/dbraw/zinc/41/57/19/373415719.db2.gz IVKSJEZDAACKEW-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915347 373416566 /nfs/dbraw/zinc/41/65/66/373416566.db2.gz STEBVRFCTBHJGF-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO NS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629916932 373416661 /nfs/dbraw/zinc/41/66/61/373416661.db2.gz GRFLTLKMZWGACX-QWRGUYRKSA-N 1 1 320.415 -1.915 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916927 373417056 /nfs/dbraw/zinc/41/70/56/373417056.db2.gz GNYJGMBZILDFFC-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO COC[C@@H](CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)OC ZINC000641567015 373426359 /nfs/dbraw/zinc/42/63/59/373426359.db2.gz CHQBZRYJMWVPKH-TUAOUCFPSA-N 1 1 308.400 -1.272 20 0 DAADMO NS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000641797267 373427047 /nfs/dbraw/zinc/42/70/47/373427047.db2.gz ZVMMZQOPOPZSPS-LBPRGKRZSA-N 1 1 318.443 -1.191 20 0 DAADMO NS(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000641797267 373427055 /nfs/dbraw/zinc/42/70/55/373427055.db2.gz ZVMMZQOPOPZSPS-LBPRGKRZSA-N 1 1 318.443 -1.191 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173843 373383362 /nfs/dbraw/zinc/38/33/62/373383362.db2.gz JQOKRRSZAIOQHM-LLVKDONJSA-N 1 1 305.338 -1.321 20 0 DAADMO CS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629165879 373383738 /nfs/dbraw/zinc/38/37/38/373383738.db2.gz OAVSIUDNDNNNIO-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)co1 ZINC000629173209 373384316 /nfs/dbraw/zinc/38/43/16/373384316.db2.gz JHFWCEJQWAKWPP-SNVBAGLBSA-N 1 1 317.367 -1.016 20 0 DAADMO NS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629167829 373385003 /nfs/dbraw/zinc/38/50/03/373385003.db2.gz GRFLTLKMZWGACX-WDEREUQCSA-N 1 1 320.415 -1.915 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)S(C)(=O)=O ZINC000640476926 373393092 /nfs/dbraw/zinc/39/30/92/373393092.db2.gz QESDSLFYQIANIM-JQWIXIFHSA-N 1 1 305.400 -1.549 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)S(C)(=O)=O ZINC000640476926 373393096 /nfs/dbraw/zinc/39/30/96/373393096.db2.gz QESDSLFYQIANIM-JQWIXIFHSA-N 1 1 305.400 -1.549 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1)S(C)(=O)=O ZINC000640476928 373393936 /nfs/dbraw/zinc/39/39/36/373393936.db2.gz QESDSLFYQIANIM-ZYHUDNBSSA-N 1 1 305.400 -1.549 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1)S(C)(=O)=O ZINC000640476928 373393946 /nfs/dbraw/zinc/39/39/46/373393946.db2.gz QESDSLFYQIANIM-ZYHUDNBSSA-N 1 1 305.400 -1.549 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642222690 373440033 /nfs/dbraw/zinc/44/00/33/373440033.db2.gz VZJKANLVHYZVSS-NEPJUHHUSA-N 1 1 300.403 -1.077 20 0 DAADMO COCC[NH2+]CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631933123 373440733 /nfs/dbraw/zinc/44/07/33/373440733.db2.gz BUDFOCAAPJHABV-UHFFFAOYSA-N 1 1 322.475 -1.221 20 0 DAADMO CCNC(=O)C[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000054224982 373448586 /nfs/dbraw/zinc/44/85/86/373448586.db2.gz OAJDOZABQGPKTP-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000054224982 373448599 /nfs/dbraw/zinc/44/85/99/373448599.db2.gz OAJDOZABQGPKTP-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO [NH3+]C/C=C\CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627092915 373450187 /nfs/dbraw/zinc/45/01/87/373450187.db2.gz FVFZNJIVLMJEGO-UPHRSURJSA-N 1 1 310.402 -1.146 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1cccnc1=O ZINC000642318284 373450900 /nfs/dbraw/zinc/45/09/00/373450900.db2.gz BSVVUWZLOJSIEV-UHFFFAOYSA-N 1 1 307.354 -1.524 20 0 DAADMO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627120731 373453822 /nfs/dbraw/zinc/45/38/22/373453822.db2.gz TVDMTUQVMHMPKM-GFCCVEGCSA-N 1 1 312.418 -1.053 20 0 DAADMO Cn1cc(C[C@H](O)C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000614501882 373481499 /nfs/dbraw/zinc/48/14/99/373481499.db2.gz HGPVNOOODMJIKA-KGLIPLIRSA-N 1 1 307.398 -1.170 20 0 DAADMO Cn1cc(C[C@@H](O)C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000614501883 373481546 /nfs/dbraw/zinc/48/15/46/373481546.db2.gz HGPVNOOODMJIKA-UONOGXRCSA-N 1 1 307.398 -1.170 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC000613586649 373461180 /nfs/dbraw/zinc/46/11/80/373461180.db2.gz SZMNRBBPSIHTTM-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(=O)n1C ZINC000614514258 373481631 /nfs/dbraw/zinc/48/16/31/373481631.db2.gz KQNKDUMANRBOCW-LBPRGKRZSA-N 1 1 308.386 -1.604 20 0 DAADMO Nc1nc(N)[nH+]c(NCCCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000623800894 373462381 /nfs/dbraw/zinc/46/23/81/373462381.db2.gz CKZCECNGOJEDAR-UHFFFAOYSA-N 1 1 320.357 -1.215 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502372 373481807 /nfs/dbraw/zinc/48/18/07/373481807.db2.gz KIOLPHXGDGCGRH-FPMFFAJLSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@H](C)C1 ZINC000613656950 373464148 /nfs/dbraw/zinc/46/41/48/373464148.db2.gz XBPVXYCINROAKW-BJKGOZRQSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H](C)C1 ZINC000613656953 373465328 /nfs/dbraw/zinc/46/53/28/373465328.db2.gz XBPVXYCINROAKW-SAUGFPQOSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@@H+]1CCO ZINC000613694419 373466382 /nfs/dbraw/zinc/46/63/82/373466382.db2.gz MNWJKSIHYNZSCB-OJAKKHQRSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@H+]1CCO ZINC000613694419 373466396 /nfs/dbraw/zinc/46/63/96/373466396.db2.gz MNWJKSIHYNZSCB-OJAKKHQRSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[N@@H+]1CCO ZINC000613694347 373466479 /nfs/dbraw/zinc/46/64/79/373466479.db2.gz LJQMESUYEJTLID-QWRGUYRKSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[N@H+]1CCO ZINC000613694347 373466486 /nfs/dbraw/zinc/46/64/86/373466486.db2.gz LJQMESUYEJTLID-QWRGUYRKSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC1 ZINC000613670951 373466633 /nfs/dbraw/zinc/46/66/33/373466633.db2.gz HDNDKGPZPMVRCJ-QWRGUYRKSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000613672929 373467137 /nfs/dbraw/zinc/46/71/37/373467137.db2.gz YVZJLJSSDSIEQJ-WKSBVSIWSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@@H+]1CCO ZINC000613694420 373467932 /nfs/dbraw/zinc/46/79/32/373467932.db2.gz MNWJKSIHYNZSCB-WKSBVSIWSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@H+]1CCO ZINC000613694420 373467943 /nfs/dbraw/zinc/46/79/43/373467943.db2.gz MNWJKSIHYNZSCB-WKSBVSIWSA-N 1 1 300.355 -2.076 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)S(N)(=O)=O ZINC000614506169 373481999 /nfs/dbraw/zinc/48/19/99/373481999.db2.gz WTNPCZPYZCHJCC-VXGBXAGGSA-N 1 1 318.443 -1.050 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614505060 373482343 /nfs/dbraw/zinc/48/23/43/373482343.db2.gz IJJROYKLSGIHMZ-STQMWFEESA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H](O)C(N)=O)n2C ZINC000614074734 373475123 /nfs/dbraw/zinc/47/51/23/373475123.db2.gz VEPQOTNHIMNWKF-VIFPVBQESA-N 1 1 306.326 -1.390 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614098748 373475581 /nfs/dbraw/zinc/47/55/81/373475581.db2.gz UIBQXDWSPQVFPX-ZJUUUORDSA-N 1 1 308.379 -1.315 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1=O ZINC000627262335 373491158 /nfs/dbraw/zinc/49/11/58/373491158.db2.gz LZKLKKAPTZVBFK-STQMWFEESA-N 1 1 310.398 -1.572 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000567060792 373534707 /nfs/dbraw/zinc/53/47/07/373534707.db2.gz CRVFOONBHKAMER-SNVBAGLBSA-N 1 1 307.416 -1.008 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@H]12 ZINC000539812151 373496729 /nfs/dbraw/zinc/49/67/29/373496729.db2.gz KIGMLIHJFDKRBD-SDDRHHMPSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@H]12 ZINC000539812151 373496738 /nfs/dbraw/zinc/49/67/38/373496738.db2.gz KIGMLIHJFDKRBD-SDDRHHMPSA-N 1 1 313.354 -1.221 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCCNS(C)(=O)=O)CC1 ZINC000631715732 373500140 /nfs/dbraw/zinc/50/01/40/373500140.db2.gz ZWZQTNUGQAQQHM-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614938041 373500905 /nfs/dbraw/zinc/50/09/05/373500905.db2.gz TXVYLBCKGZQEFT-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)CC[NH+](C)C ZINC000614938041 373500909 /nfs/dbraw/zinc/50/09/09/373500909.db2.gz TXVYLBCKGZQEFT-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627267859 373501526 /nfs/dbraw/zinc/50/15/26/373501526.db2.gz TYPKRGBLYQFDGF-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000567523380 373536945 /nfs/dbraw/zinc/53/69/45/373536945.db2.gz YEXPKJJADBDATN-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)S1(=O)=O ZINC000615147252 373505713 /nfs/dbraw/zinc/50/57/13/373505713.db2.gz DBJMULXIFNDVBA-GFCCVEGCSA-N 1 1 317.411 -1.189 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615140223 373505989 /nfs/dbraw/zinc/50/59/89/373505989.db2.gz WGEBYMYNUKJAFS-MGPQQGTHSA-N 1 1 312.366 -1.810 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCCC[NH+]1CCOCC1 ZINC000552845127 373508362 /nfs/dbraw/zinc/50/83/62/373508362.db2.gz KRXKKWWCENTGBY-UHFFFAOYSA-N 1 1 322.431 -1.437 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615264136 373508759 /nfs/dbraw/zinc/50/87/59/373508759.db2.gz CDVJWIWCAYICEK-MNOVXSKESA-N 1 1 320.415 -1.638 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000615275653 373509293 /nfs/dbraw/zinc/50/92/93/373509293.db2.gz MYPVYJWGFUFZAL-WDEREUQCSA-N 1 1 322.369 -1.301 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615264138 373509362 /nfs/dbraw/zinc/50/93/62/373509362.db2.gz CDVJWIWCAYICEK-QWRGUYRKSA-N 1 1 320.415 -1.638 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000565081675 373517260 /nfs/dbraw/zinc/51/72/60/373517260.db2.gz RXBVPRKJAXRWOC-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)CN2CCNCC2=O)CC1 ZINC000564911116 373517971 /nfs/dbraw/zinc/51/79/71/373517971.db2.gz TYSUIPOPXYEOAQ-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165619 373521605 /nfs/dbraw/zinc/52/16/05/373521605.db2.gz PJPGADNHOMMMOW-VXGBXAGGSA-N 1 1 309.432 -1.322 20 0 DAADMO C[NH2+][C@H](C(=O)N1CCN(CCOC)C(=O)C1)c1cnn(C)c1 ZINC000565538266 373521981 /nfs/dbraw/zinc/52/19/81/373521981.db2.gz MVNQQKIZYUFBRM-ZDUSSCGKSA-N 1 1 309.370 -1.002 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000566411502 373527558 /nfs/dbraw/zinc/52/75/58/373527558.db2.gz GUCOLPGWLHQTEV-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413763 373527808 /nfs/dbraw/zinc/52/78/08/373527808.db2.gz IQIAFWSALROSMK-STQMWFEESA-N 1 1 323.459 -1.061 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566620931 373531735 /nfs/dbraw/zinc/53/17/35/373531735.db2.gz IXLAJNZTWPUXEO-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000567060791 373533523 /nfs/dbraw/zinc/53/35/23/373533523.db2.gz CRVFOONBHKAMER-JTQLQIEISA-N 1 1 307.416 -1.008 20 0 DAADMO CCC[C@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)S(N)(=O)=O ZINC000614506166 373482921 /nfs/dbraw/zinc/48/29/21/373482921.db2.gz WTNPCZPYZCHJCC-NWDGAFQWSA-N 1 1 318.443 -1.050 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CCS(=O)(=O)N1 ZINC000614514349 373484302 /nfs/dbraw/zinc/48/43/02/373484302.db2.gz MZOYMSNLWIHHRS-GHMZBOCLSA-N 1 1 302.400 -1.816 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)S1(=O)=O ZINC000614514294 373484766 /nfs/dbraw/zinc/48/47/66/373484766.db2.gz LTECVOZRMDQNGD-NWDGAFQWSA-N 1 1 316.427 -1.474 20 0 DAADMO CC(=O)c1cn(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000614515659 373484788 /nfs/dbraw/zinc/48/47/88/373484788.db2.gz YNQAJJIGHMABJK-GFCCVEGCSA-N 1 1 306.370 -1.013 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000530291867 373485895 /nfs/dbraw/zinc/48/58/95/373485895.db2.gz ZYEDAYABHFMOEL-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000530264932 373487434 /nfs/dbraw/zinc/48/74/34/373487434.db2.gz XRKGECMJKLAUFX-UHFFFAOYSA-N 1 1 315.399 -1.376 20 0 DAADMO CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000578339277 373582605 /nfs/dbraw/zinc/58/26/05/373582605.db2.gz BUQZRGRGEHSTRW-LBPRGKRZSA-N 1 1 307.354 -1.089 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1=O ZINC000579977521 373596803 /nfs/dbraw/zinc/59/68/03/373596803.db2.gz FKMZYSPHZIYADG-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578784353 373586640 /nfs/dbraw/zinc/58/66/40/373586640.db2.gz IOQGVNSXSZQPMC-RHYQMDGZSA-N 1 1 319.427 -1.715 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000579023630 373587421 /nfs/dbraw/zinc/58/74/21/373587421.db2.gz VKQNJOJQLFYBQQ-UHFFFAOYSA-N 1 1 316.383 -1.076 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000579023630 373587432 /nfs/dbraw/zinc/58/74/32/373587432.db2.gz VKQNJOJQLFYBQQ-UHFFFAOYSA-N 1 1 316.383 -1.076 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H]1C ZINC000579091448 373587618 /nfs/dbraw/zinc/58/76/18/373587618.db2.gz VQCOYLIIHAFZDI-IHRRRGAJSA-N 1 1 313.446 -1.014 20 0 DAADMO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)C[NH3+] ZINC000579957515 373594278 /nfs/dbraw/zinc/59/42/78/373594278.db2.gz CNNWSSZOBKJORZ-ZDUSSCGKSA-N 1 1 322.413 -1.233 20 0 DAADMO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H](O)C[NH3+] ZINC000579957515 373594289 /nfs/dbraw/zinc/59/42/89/373594289.db2.gz CNNWSSZOBKJORZ-ZDUSSCGKSA-N 1 1 322.413 -1.233 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000568145361 373541959 /nfs/dbraw/zinc/54/19/59/373541959.db2.gz UQNRPNRVJTUKMV-SNVBAGLBSA-N 1 1 308.404 -1.997 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000568199502 373542351 /nfs/dbraw/zinc/54/23/51/373542351.db2.gz ALFAVTVIYUTPIE-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CCn2ncn(C)c2=O)CC1 ZINC000568233697 373543205 /nfs/dbraw/zinc/54/32/05/373543205.db2.gz WVSDVQMRZZJYIE-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO O=C(NC1C[NH2+]C1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000573906260 373555648 /nfs/dbraw/zinc/55/56/48/373555648.db2.gz DCUYVDUADXSVCU-UHFFFAOYSA-N 1 1 310.398 -1.355 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCNC(C)=O)C1 ZINC000573963253 373560153 /nfs/dbraw/zinc/56/01/53/373560153.db2.gz DFODUCLKIRXCSC-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000574286878 373560227 /nfs/dbraw/zinc/56/02/27/373560227.db2.gz IUBSUGQWIFARNH-SNVBAGLBSA-N 1 1 308.404 -1.733 20 0 DAADMO O=S(=O)(N[C@@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000574413504 373562397 /nfs/dbraw/zinc/56/23/97/373562397.db2.gz IHCPWEZOODSVRF-GFCCVEGCSA-N 1 1 307.416 -1.000 20 0 DAADMO O=S(=O)(N[C@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000574413505 373562446 /nfs/dbraw/zinc/56/24/46/373562446.db2.gz IHCPWEZOODSVRF-LBPRGKRZSA-N 1 1 307.416 -1.000 20 0 DAADMO O=C(CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCNCC1 ZINC000574518044 373562555 /nfs/dbraw/zinc/56/25/55/373562555.db2.gz RIISBYBGPKJKOX-CYBMUJFWSA-N 1 1 320.397 -1.031 20 0 DAADMO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC000575760451 373564997 /nfs/dbraw/zinc/56/49/97/373564997.db2.gz OWFWDIBWNDKMQZ-GFCCVEGCSA-N 1 1 314.367 -1.324 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC000575760451 373565004 /nfs/dbraw/zinc/56/50/04/373565004.db2.gz OWFWDIBWNDKMQZ-GFCCVEGCSA-N 1 1 314.367 -1.324 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000576034571 373566804 /nfs/dbraw/zinc/56/68/04/373566804.db2.gz WNTZVRALSXDDQD-JTQLQIEISA-N 1 1 321.337 -1.153 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000575877105 373568515 /nfs/dbraw/zinc/56/85/15/373568515.db2.gz CLVQZRHJQWOGPF-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000575877105 373568520 /nfs/dbraw/zinc/56/85/20/373568520.db2.gz CLVQZRHJQWOGPF-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000580552845 373569486 /nfs/dbraw/zinc/56/94/86/373569486.db2.gz CCRUKTMSNAOUFN-CABCVRRESA-N 1 1 300.447 -1.095 20 0 DAADMO CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000576943251 373570894 /nfs/dbraw/zinc/57/08/94/373570894.db2.gz DEQDFDGNKBJQQQ-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)CN[C@@H]1C(=O)NCC[C@@H]1C ZINC000577344895 373573705 /nfs/dbraw/zinc/57/37/05/373573705.db2.gz QXACEZBLAWPPIE-YOTBANQPSA-N 1 1 312.414 -1.424 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000577384040 373574246 /nfs/dbraw/zinc/57/42/46/373574246.db2.gz PPEAOCJQGDJTKY-GHMZBOCLSA-N 1 1 300.359 -1.839 20 0 DAADMO O=C(NC1CC1)C(=O)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000577454532 373576623 /nfs/dbraw/zinc/57/66/23/373576623.db2.gz ISOGXBHYVMZJTN-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H]1CCC[N@H+]1C ZINC000577599321 373577954 /nfs/dbraw/zinc/57/79/54/373577954.db2.gz WCWODWCAQALNEE-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000616158540 373628523 /nfs/dbraw/zinc/62/85/23/373628523.db2.gz YTQIUNLTZUYOMV-GHMZBOCLSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000616158540 373628537 /nfs/dbraw/zinc/62/85/37/373628537.db2.gz YTQIUNLTZUYOMV-GHMZBOCLSA-N 1 1 308.386 -1.264 20 0 DAADMO Nc1nc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc(N)[nH+]1 ZINC000623991269 373631098 /nfs/dbraw/zinc/63/10/98/373631098.db2.gz CAQLCFBNYXDUAZ-UHFFFAOYSA-N 1 1 319.329 -2.082 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627308385 373643469 /nfs/dbraw/zinc/64/34/69/373643469.db2.gz OJMBEENARAWTHN-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627308385 373643476 /nfs/dbraw/zinc/64/34/76/373643476.db2.gz OJMBEENARAWTHN-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627308385 373643484 /nfs/dbraw/zinc/64/34/84/373643484.db2.gz OJMBEENARAWTHN-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000627312703 373644131 /nfs/dbraw/zinc/64/41/31/373644131.db2.gz GIQVCLDUAUDIPR-RWMBFGLXSA-N 1 1 311.430 -1.395 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000627312703 373644134 /nfs/dbraw/zinc/64/41/34/373644134.db2.gz GIQVCLDUAUDIPR-RWMBFGLXSA-N 1 1 311.430 -1.395 20 0 DAADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627308388 373644232 /nfs/dbraw/zinc/64/42/32/373644232.db2.gz OJMBEENARAWTHN-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627308388 373644238 /nfs/dbraw/zinc/64/42/38/373644238.db2.gz OJMBEENARAWTHN-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627308388 373644248 /nfs/dbraw/zinc/64/42/48/373644248.db2.gz OJMBEENARAWTHN-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CNS(=O)(=O)CC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000621295035 373645428 /nfs/dbraw/zinc/64/54/28/373645428.db2.gz WRJFAGMWSXAEPR-UHFFFAOYSA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000621287378 373645826 /nfs/dbraw/zinc/64/58/26/373645826.db2.gz LVZNPXXLEOSCAN-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000621287378 373645832 /nfs/dbraw/zinc/64/58/32/373645832.db2.gz LVZNPXXLEOSCAN-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000621306413 373646044 /nfs/dbraw/zinc/64/60/44/373646044.db2.gz ZHOYKMFGZXFSSK-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000623716644 373658800 /nfs/dbraw/zinc/65/88/00/373658800.db2.gz VHUOQFJBJSOKQT-LLVKDONJSA-N 1 1 319.431 -1.130 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627352902 373655541 /nfs/dbraw/zinc/65/55/41/373655541.db2.gz LXYRDCJLLXFAMY-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C[N@@H+]1C1CC1 ZINC000627349166 373656072 /nfs/dbraw/zinc/65/60/72/373656072.db2.gz FGNKRGVBPFJLPP-IJLUTSLNSA-N 1 1 310.398 -1.168 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C[N@H+]1C1CC1 ZINC000627349166 373656079 /nfs/dbraw/zinc/65/60/79/373656079.db2.gz FGNKRGVBPFJLPP-IJLUTSLNSA-N 1 1 310.398 -1.168 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC000016389112 373605589 /nfs/dbraw/zinc/60/55/89/373605589.db2.gz OJJWJHSDPHNJPZ-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1nc2n(n1)CCCN2 ZINC000615656708 373610741 /nfs/dbraw/zinc/61/07/41/373610741.db2.gz HVYIIKCIDWNGBL-LLVKDONJSA-N 1 1 308.386 -1.072 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000615657180 373610902 /nfs/dbraw/zinc/61/09/02/373610902.db2.gz NYICDGFUJKSJAL-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000026174338 373614402 /nfs/dbraw/zinc/61/44/02/373614402.db2.gz IPSCLYZMKZLHBT-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO CNC(=O)NC(=O)CC[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000044072731 373615945 /nfs/dbraw/zinc/61/59/45/373615945.db2.gz RLCIYPJNSAFZEG-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)[C@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043824920 373616320 /nfs/dbraw/zinc/61/63/20/373616320.db2.gz KUZZMULNHCAUMI-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)CC(C)C ZINC000047550123 373618052 /nfs/dbraw/zinc/61/80/52/373618052.db2.gz XQTLEAZZBKHDLB-UHFFFAOYSA-N 1 1 301.347 -1.144 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1CCCNC1=O ZINC000642562654 373619035 /nfs/dbraw/zinc/61/90/35/373619035.db2.gz LRZORLVIBRJEAO-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2CCCNC2=O)CC1 ZINC000058920737 373620853 /nfs/dbraw/zinc/62/08/53/373620853.db2.gz UUNPJIZNXLPZDJ-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000632187599 373709147 /nfs/dbraw/zinc/70/91/47/373709147.db2.gz CYKSDRQWOBWCGW-SECBINFHSA-N 1 1 316.383 -1.354 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000632181101 373709318 /nfs/dbraw/zinc/70/93/18/373709318.db2.gz UCJZYNAZOLRRKG-UHFFFAOYSA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@H](O)C(=O)N1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632163008 373709629 /nfs/dbraw/zinc/70/96/29/373709629.db2.gz OWDMDHDVGNHCOJ-NSHDSACASA-N 1 1 319.427 -1.065 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632226295 373712522 /nfs/dbraw/zinc/71/25/22/373712522.db2.gz OZCODNLYRHMVKW-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000632259494 373712570 /nfs/dbraw/zinc/71/25/70/373712570.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000632259494 373712575 /nfs/dbraw/zinc/71/25/75/373712575.db2.gz MBZRUWHHOYOLTQ-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632255560 373712834 /nfs/dbraw/zinc/71/28/34/373712834.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 1 1 309.432 -1.185 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632255560 373712838 /nfs/dbraw/zinc/71/28/38/373712838.db2.gz WWOAZTKXTMKAJT-LBPRGKRZSA-N 1 1 309.432 -1.185 20 0 DAADMO Cc1ccc(S(=O)(=O)NCCNc2nc(N)nc(N)[nH+]2)cc1 ZINC000623833488 373660991 /nfs/dbraw/zinc/66/09/91/373660991.db2.gz IMYOCANMRCZRKT-UHFFFAOYSA-N 1 1 323.382 -1.183 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000623829925 373661110 /nfs/dbraw/zinc/66/11/10/373661110.db2.gz YPLLEQJEQSCMDT-VIFPVBQESA-N 1 1 307.358 -1.228 20 0 DAADMO Nc1nc(N)[nH+]c(NCCS(=O)(=O)NCc2ccccc2)n1 ZINC000623864171 373661252 /nfs/dbraw/zinc/66/12/52/373661252.db2.gz IFKQMFYIFSZBDE-UHFFFAOYSA-N 1 1 323.382 -1.350 20 0 DAADMO CC(=O)N1CCN(C(=O)CCNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623954517 373661648 /nfs/dbraw/zinc/66/16/48/373661648.db2.gz QPNVIZYUIGKSHJ-UHFFFAOYSA-N 1 1 308.346 -2.389 20 0 DAADMO NC(=O)c1cccnc1N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623909372 373662229 /nfs/dbraw/zinc/66/22/29/373662229.db2.gz TXQACTHOBJRHNB-UHFFFAOYSA-N 1 1 315.341 -1.483 20 0 DAADMO CS(=O)(=O)NCC[C@H]1CCCCN1c1nc(N)nc(N)[nH+]1 ZINC000624022925 373664296 /nfs/dbraw/zinc/66/42/96/373664296.db2.gz GYBORYJEKIXOMT-MRVPVSSYSA-N 1 1 315.403 -1.005 20 0 DAADMO CN1C(=O)N[C@]2(CCC[C@@H]2CNc2nc(N)nc(N)[nH+]2)C1=O ZINC000624018642 373665413 /nfs/dbraw/zinc/66/54/13/373665413.db2.gz VUIRFUFTJJOTET-INWYIAFRSA-N 1 1 306.330 -1.749 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC000624064445 373666168 /nfs/dbraw/zinc/66/61/68/373666168.db2.gz HNYWXFYFCFVXBM-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000624284000 373666961 /nfs/dbraw/zinc/66/69/61/373666961.db2.gz DDCUOHOMGYZNAW-SECBINFHSA-N 1 1 313.445 -1.110 20 0 DAADMO CN(C)S(=O)(=O)N1CCC[C@@H](Nc2nc(N)nc(N)[nH+]2)C1 ZINC000624221413 373667060 /nfs/dbraw/zinc/66/70/60/373667060.db2.gz ZUHGGUFBQSXSJS-SSDOTTSWSA-N 1 1 316.391 -2.199 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1 ZINC000624207089 373668485 /nfs/dbraw/zinc/66/84/85/373668485.db2.gz QZWDQIUHUAQTJE-ZDUSSCGKSA-N 1 1 307.358 -1.350 20 0 DAADMO CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627357749 373670260 /nfs/dbraw/zinc/67/02/60/373670260.db2.gz PBYCUXIWSSOVHH-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627380814 373671174 /nfs/dbraw/zinc/67/11/74/373671174.db2.gz ZLTIHCKXVLWJBQ-CHWSQXEVSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380814 373671182 /nfs/dbraw/zinc/67/11/82/373671182.db2.gz ZLTIHCKXVLWJBQ-CHWSQXEVSA-N 1 1 310.398 -1.309 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627461360 373677560 /nfs/dbraw/zinc/67/75/60/373677560.db2.gz NJLHVHDJRFEADJ-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000627464022 373679168 /nfs/dbraw/zinc/67/91/68/373679168.db2.gz PDKMLFPQNIZJHE-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470475 373681565 /nfs/dbraw/zinc/68/15/65/373681565.db2.gz STSVUYKEGFHSFI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470475 373681575 /nfs/dbraw/zinc/68/15/75/373681575.db2.gz STSVUYKEGFHSFI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470108 373682907 /nfs/dbraw/zinc/68/29/07/373682907.db2.gz LOOSBYRNMVHDHX-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475487 373684722 /nfs/dbraw/zinc/68/47/22/373684722.db2.gz NQINQONBEFVSHR-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1=O ZINC000627574716 373691637 /nfs/dbraw/zinc/69/16/37/373691637.db2.gz OKWGDNAZTDKKNZ-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CN(CC(=O)N1CCNCC1)S(=O)(=O)CCC[NH+](C)C ZINC000631901668 373698224 /nfs/dbraw/zinc/69/82/24/373698224.db2.gz KWQPNSSVFNFCNN-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO CN1CCN(CCCS(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000631939106 373703316 /nfs/dbraw/zinc/70/33/16/373703316.db2.gz SXJVRLKIXYCJQX-ITGUQSILSA-N 1 1 302.444 -1.239 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1=O ZINC000631937222 373704002 /nfs/dbraw/zinc/70/40/02/373704002.db2.gz UCPHTDVBLBRINA-WOPDTQHZSA-N 1 1 317.411 -1.000 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000632001419 373707391 /nfs/dbraw/zinc/70/73/91/373707391.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000632001419 373707404 /nfs/dbraw/zinc/70/74/04/373707404.db2.gz QOPNVZZGWOMWDH-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632551562 373721486 /nfs/dbraw/zinc/72/14/86/373721486.db2.gz DQNPOCCSALBEIJ-NXEZZACHSA-N 1 1 314.429 -1.331 20 0 DAADMO Cc1ccn(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192407328 781962784 /nfs/dbraw/zinc/96/27/84/781962784.db2.gz UWJMBGAVQVQDSS-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1ccn(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192407328 781962791 /nfs/dbraw/zinc/96/27/91/781962791.db2.gz UWJMBGAVQVQDSS-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467749 781963123 /nfs/dbraw/zinc/96/31/23/781963123.db2.gz LXZRQOFDXDMGLH-SGIHWFKDSA-N 1 1 304.347 -2.788 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192444548 781965395 /nfs/dbraw/zinc/96/53/95/781965395.db2.gz MBCASJOTPPWIIO-HBNTYKKESA-N 1 1 302.375 -1.371 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444680344 545781688 /nfs/dbraw/zinc/78/16/88/545781688.db2.gz DZWMVKIWBCYZJM-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001192451916 781966300 /nfs/dbraw/zinc/96/63/00/781966300.db2.gz CMVORYXFOQPIBW-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000036983821 182859139 /nfs/dbraw/zinc/85/91/39/182859139.db2.gz OUXDKABCFZEBLR-UHFFFAOYSA-N 1 1 305.381 -1.072 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192453326 781967085 /nfs/dbraw/zinc/96/70/85/781967085.db2.gz LHRUHABUHPGJNX-OUAUKWLOSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192453326 781967091 /nfs/dbraw/zinc/96/70/91/781967091.db2.gz LHRUHABUHPGJNX-OUAUKWLOSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001192452796 781967186 /nfs/dbraw/zinc/96/71/86/781967186.db2.gz IBCUZBRFOUEGFR-VXGBXAGGSA-N 1 1 309.370 -1.740 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192495976 781967349 /nfs/dbraw/zinc/96/73/49/781967349.db2.gz YWNQJSMSNYPIHM-VXGBXAGGSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192495976 781967352 /nfs/dbraw/zinc/96/73/52/781967352.db2.gz YWNQJSMSNYPIHM-VXGBXAGGSA-N 1 1 312.370 -1.313 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494244 781967587 /nfs/dbraw/zinc/96/75/87/781967587.db2.gz FVCSIZQZYXTEPQ-YNEHKIRRSA-N 1 1 310.354 -1.812 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484097 781968974 /nfs/dbraw/zinc/96/89/74/781968974.db2.gz KEAYFIMVXZCZHB-QJPTWQEYSA-N 1 1 313.358 -2.163 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550086 781969048 /nfs/dbraw/zinc/96/90/48/781969048.db2.gz CXOZXLPRSNSERQ-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550086 781969056 /nfs/dbraw/zinc/96/90/56/781969056.db2.gz CXOZXLPRSNSERQ-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001192485091 781969184 /nfs/dbraw/zinc/96/91/84/781969184.db2.gz VSLHZNYEYGXLBM-JHJVBQTASA-N 1 1 312.370 -1.869 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550088 781969357 /nfs/dbraw/zinc/96/93/57/781969357.db2.gz CXOZXLPRSNSERQ-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550088 781969363 /nfs/dbraw/zinc/96/93/63/781969363.db2.gz CXOZXLPRSNSERQ-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192550003 781970336 /nfs/dbraw/zinc/97/03/36/781970336.db2.gz CTXXIODZDDCPCI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192484682 781970404 /nfs/dbraw/zinc/97/04/04/781970404.db2.gz QRULRMSAUHHYNO-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO CN1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000532254198 269706583 /nfs/dbraw/zinc/70/65/83/269706583.db2.gz DJFKUYHHMXTCBR-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001192563942 781972357 /nfs/dbraw/zinc/97/23/57/781972357.db2.gz SGKOABMNLSYVFA-QJPTWQEYSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001192563942 781972359 /nfs/dbraw/zinc/97/23/59/781972359.db2.gz SGKOABMNLSYVFA-QJPTWQEYSA-N 1 1 310.354 -1.433 20 0 DAADMO Cc1ccnn1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192586795 781973469 /nfs/dbraw/zinc/97/34/69/781973469.db2.gz WCDRVCJIMCCXBF-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1ccnn1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192586795 781973475 /nfs/dbraw/zinc/97/34/75/781973475.db2.gz WCDRVCJIMCCXBF-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192591479 781973793 /nfs/dbraw/zinc/97/37/93/781973793.db2.gz SKBGFDWSYJNVQX-GMTAPVOTSA-N 1 1 301.343 -1.317 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192593682 781973930 /nfs/dbraw/zinc/97/39/30/781973930.db2.gz AOMBZEHUGMXPRL-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192597944 781974136 /nfs/dbraw/zinc/97/41/36/781974136.db2.gz YIZJORPTFZDKND-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192598025 781974325 /nfs/dbraw/zinc/97/43/25/781974325.db2.gz ZDCNNVSLHKOECJ-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001192632326 781975012 /nfs/dbraw/zinc/97/50/12/781975012.db2.gz OSMUHUAQTJLYDQ-NSHDSACASA-N 1 1 324.381 -1.123 20 0 DAADMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000364199787 296339784 /nfs/dbraw/zinc/33/97/84/296339784.db2.gz DYFMXOJMEHFTDR-SNVBAGLBSA-N 1 1 313.383 -1.005 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192639583 781975722 /nfs/dbraw/zinc/97/57/22/781975722.db2.gz DPZDOYLQPGSFEI-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192639583 781975730 /nfs/dbraw/zinc/97/57/30/781975730.db2.gz DPZDOYLQPGSFEI-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192624460 781975776 /nfs/dbraw/zinc/97/57/76/781975776.db2.gz OWKLRHUOAMNUPI-UPJWGTAASA-N 1 1 309.370 -1.136 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192624460 781975786 /nfs/dbraw/zinc/97/57/86/781975786.db2.gz OWKLRHUOAMNUPI-UPJWGTAASA-N 1 1 309.370 -1.136 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)n1 ZINC001192657083 781975809 /nfs/dbraw/zinc/97/58/09/781975809.db2.gz IYIINDRSQLOYRO-YUSALJHKSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)n1 ZINC001192657083 781975817 /nfs/dbraw/zinc/97/58/17/781975817.db2.gz IYIINDRSQLOYRO-YUSALJHKSA-N 1 1 313.358 -1.920 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192633611 781975968 /nfs/dbraw/zinc/97/59/68/781975968.db2.gz YOWJOQFBRYZUPZ-IJLUTSLNSA-N 1 1 312.370 -1.489 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001192702535 781976743 /nfs/dbraw/zinc/97/67/43/781976743.db2.gz QARVZWFGXBFYMQ-GMTAPVOTSA-N 1 1 302.375 -1.498 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192675484 781977181 /nfs/dbraw/zinc/97/71/81/781977181.db2.gz KZUMBFCCSWOSEG-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192675484 781977191 /nfs/dbraw/zinc/97/71/91/781977191.db2.gz KZUMBFCCSWOSEG-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001192702117 781977991 /nfs/dbraw/zinc/97/79/91/781977991.db2.gz JMZJDXJBNDQSGA-IJLUTSLNSA-N 1 1 316.402 -1.372 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192702886 781978555 /nfs/dbraw/zinc/97/85/55/781978555.db2.gz UZPHPXOVACJJBV-GMTAPVOTSA-N 1 1 318.374 -2.526 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192770170 781979043 /nfs/dbraw/zinc/97/90/43/781979043.db2.gz HBIAROOYNRURNJ-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192770170 781979051 /nfs/dbraw/zinc/97/90/51/781979051.db2.gz HBIAROOYNRURNJ-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001192762366 781979095 /nfs/dbraw/zinc/97/90/95/781979095.db2.gz WZVBCHUOGJHGGF-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001192762366 781979098 /nfs/dbraw/zinc/97/90/98/781979098.db2.gz WZVBCHUOGJHGGF-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192749342 781981076 /nfs/dbraw/zinc/98/10/76/781981076.db2.gz NDHLSLHXRMFGLC-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192748444 781981347 /nfs/dbraw/zinc/98/13/47/781981347.db2.gz BKYMBAPAQGAADV-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192748444 781981351 /nfs/dbraw/zinc/98/13/51/781981351.db2.gz BKYMBAPAQGAADV-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001192751653 781981452 /nfs/dbraw/zinc/98/14/52/781981452.db2.gz FDCBHHFQBHDMNV-GHMZBOCLSA-N 1 1 313.358 -2.174 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001192751653 781981461 /nfs/dbraw/zinc/98/14/61/781981461.db2.gz FDCBHHFQBHDMNV-GHMZBOCLSA-N 1 1 313.358 -2.174 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)S1(=O)=O ZINC001192795379 781982349 /nfs/dbraw/zinc/98/23/49/781982349.db2.gz XUPSAHYPQQJCDV-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192845417 781983125 /nfs/dbraw/zinc/98/31/25/781983125.db2.gz HZIBKQTYAWSDGD-BDAKNGLRSA-N 1 1 323.357 -1.455 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001192844967 781984193 /nfs/dbraw/zinc/98/41/93/781984193.db2.gz DETGHPLRANDZAT-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001192875132 781984530 /nfs/dbraw/zinc/98/45/30/781984530.db2.gz BLPHJNRAGDWLCX-GFCCVEGCSA-N 1 1 324.381 -1.158 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001192924522 781988481 /nfs/dbraw/zinc/98/84/81/781988481.db2.gz JXLQCYVVEIVIPK-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001192924525 781988597 /nfs/dbraw/zinc/98/85/97/781988597.db2.gz KFZUVBRAXUNMRW-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916973 781988890 /nfs/dbraw/zinc/98/88/90/781988890.db2.gz VUODNCYZLSFEHO-GHMZBOCLSA-N 1 1 322.431 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923836 781989204 /nfs/dbraw/zinc/98/92/04/781989204.db2.gz NQGSHSUNWOOVQG-MRVPVSSYSA-N 1 1 309.330 -1.593 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923836 781989210 /nfs/dbraw/zinc/98/92/10/781989210.db2.gz NQGSHSUNWOOVQG-MRVPVSSYSA-N 1 1 309.330 -1.593 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923380 781989284 /nfs/dbraw/zinc/98/92/84/781989284.db2.gz CDIVKFMQUZFOHS-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923380 781989292 /nfs/dbraw/zinc/98/92/92/781989292.db2.gz CDIVKFMQUZFOHS-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192986719 781990030 /nfs/dbraw/zinc/99/00/30/781990030.db2.gz HVFKMDVEHZWEHC-YUMQZZPRSA-N 1 1 310.314 -1.201 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193004882 781990173 /nfs/dbraw/zinc/99/01/73/781990173.db2.gz CRKZYKMAEZZXEE-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001193004882 781990181 /nfs/dbraw/zinc/99/01/81/781990181.db2.gz CRKZYKMAEZZXEE-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001192940742 781990988 /nfs/dbraw/zinc/99/09/88/781990988.db2.gz VMRPUTZXIHDPJB-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027331 781992857 /nfs/dbraw/zinc/99/28/57/781992857.db2.gz PPFMIDYELAXUSK-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001193076715 781993691 /nfs/dbraw/zinc/99/36/91/781993691.db2.gz ZANMSVNNHAKCTP-DMDPSCGWSA-N 1 1 324.381 -1.389 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193048795 781993924 /nfs/dbraw/zinc/99/39/24/781993924.db2.gz WOIBYZZLCXIGLQ-SECBINFHSA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027306 781993902 /nfs/dbraw/zinc/99/39/02/781993902.db2.gz PHJLMVHOSNTRKO-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027306 781993895 /nfs/dbraw/zinc/99/38/95/781993895.db2.gz PHJLMVHOSNTRKO-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193048795 781993938 /nfs/dbraw/zinc/99/39/38/781993938.db2.gz WOIBYZZLCXIGLQ-SECBINFHSA-N 1 1 308.342 -1.320 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000272389109 130025935 /nfs/dbraw/zinc/02/59/35/130025935.db2.gz XKXLIWJZHVHXER-UHFFFAOYSA-N 1 1 305.342 -1.336 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000275237924 130300197 /nfs/dbraw/zinc/30/01/97/130300197.db2.gz NSEJALZRTLSBRO-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 ZINC000275265199 130301687 /nfs/dbraw/zinc/30/16/87/130301687.db2.gz RYCNDJOQIOMZCS-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)c1ccco1 ZINC000284546054 131091490 /nfs/dbraw/zinc/09/14/90/131091490.db2.gz UXOADOICRIIKLH-JTQLQIEISA-N 1 1 308.338 -1.043 20 0 DAADMO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)c1ccco1 ZINC000284546058 131091642 /nfs/dbraw/zinc/09/16/42/131091642.db2.gz UXOADOICRIIKLH-SNVBAGLBSA-N 1 1 308.338 -1.043 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1 ZINC000353481885 131133181 /nfs/dbraw/zinc/13/31/81/131133181.db2.gz KWEPXQWNYDHROU-UHFFFAOYSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1 ZINC000353481885 131133182 /nfs/dbraw/zinc/13/31/82/131133182.db2.gz KWEPXQWNYDHROU-UHFFFAOYSA-N 1 1 312.414 -1.326 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000285780123 131201339 /nfs/dbraw/zinc/20/13/39/131201339.db2.gz FOWMFHIHQHYIEZ-WDEREUQCSA-N 1 1 312.370 -1.102 20 0 DAADMO C[NH+]1CCN([C@@H](C(=O)N[C@@H](CO)C(N)=O)c2ccccc2)CC1 ZINC000286346144 131232559 /nfs/dbraw/zinc/23/25/59/131232559.db2.gz KQZHKJJKRFKSPX-UONOGXRCSA-N 1 1 320.393 -1.063 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000288787030 131339445 /nfs/dbraw/zinc/33/94/45/131339445.db2.gz CBUUCKKDHZNJEB-SECBINFHSA-N 1 1 311.342 -1.043 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289349344 131376946 /nfs/dbraw/zinc/37/69/46/131376946.db2.gz FYSIQUOXNGRUNY-SECBINFHSA-N 1 1 311.342 -1.043 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501629 131391617 /nfs/dbraw/zinc/39/16/17/131391617.db2.gz UEVKBONBAOEGQV-RKDXNWHRSA-N 1 1 311.342 -1.045 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501629 131391618 /nfs/dbraw/zinc/39/16/18/131391618.db2.gz UEVKBONBAOEGQV-RKDXNWHRSA-N 1 1 311.342 -1.045 20 0 DAADMO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](C)CC1)c(=O)n2C ZINC000298142845 132048135 /nfs/dbraw/zinc/04/81/35/132048135.db2.gz NGPBMZKVNXWGTM-UHFFFAOYSA-N 1 1 320.353 -1.792 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c(=O)n(C)c1=O ZINC000299226221 132094305 /nfs/dbraw/zinc/09/43/05/132094305.db2.gz NQNXKVCCIKPLLR-SECBINFHSA-N 1 1 316.383 -1.544 20 0 DAADMO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025065 545811179 /nfs/dbraw/zinc/81/11/79/545811179.db2.gz WZBIVXJBUJMIBT-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193156498 781996408 /nfs/dbraw/zinc/99/64/08/781996408.db2.gz FAIZNATXYRUNPX-GMTAPVOTSA-N 1 1 305.350 -1.342 20 0 DAADMO CCN(CC(C)(C)O)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656074455 545813662 /nfs/dbraw/zinc/81/36/62/545813662.db2.gz NQTWFCKFOSFIQL-NWDGAFQWSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@]1(CO)CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656073743 545814150 /nfs/dbraw/zinc/81/41/50/545814150.db2.gz PQZCHVQAZNPPLB-YWPYICTPSA-N 1 1 311.382 -1.363 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1CO ZINC000656077269 545815879 /nfs/dbraw/zinc/81/58/79/545815879.db2.gz MSEFXMUUHDUVTH-WUHRBBMRSA-N 1 1 311.382 -1.507 20 0 DAADMO C[C@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656312104 545818813 /nfs/dbraw/zinc/81/88/13/545818813.db2.gz GHQJCTLPGBPPPD-YWPYICTPSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656305032 545819206 /nfs/dbraw/zinc/81/92/06/545819206.db2.gz NNIYTTCHZRLXDQ-RWMBFGLXSA-N 1 1 312.414 -1.280 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001193166448 781997495 /nfs/dbraw/zinc/99/74/95/781997495.db2.gz LOBJIAAIGFXANM-JHJVBQTASA-N 1 1 323.397 -1.041 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001193166448 781997504 /nfs/dbraw/zinc/99/75/04/781997504.db2.gz LOBJIAAIGFXANM-JHJVBQTASA-N 1 1 323.397 -1.041 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000657122794 545821722 /nfs/dbraw/zinc/82/17/22/545821722.db2.gz KGXFVUZUVHUJHN-UHFFFAOYSA-N 1 1 313.445 -1.251 20 0 DAADMO C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000157529931 545823613 /nfs/dbraw/zinc/82/36/13/545823613.db2.gz LKFNELVHJQWVMC-QWRGUYRKSA-N 1 1 310.354 -1.618 20 0 DAADMO C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000157529931 545823620 /nfs/dbraw/zinc/82/36/20/545823620.db2.gz LKFNELVHJQWVMC-QWRGUYRKSA-N 1 1 310.354 -1.618 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)NC1CCOCC1 ZINC000361944009 545829363 /nfs/dbraw/zinc/82/93/63/545829363.db2.gz FRWULYNVGDMWBA-UHFFFAOYSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NC1CCOCC1 ZINC000361944009 545829366 /nfs/dbraw/zinc/82/93/66/545829366.db2.gz FRWULYNVGDMWBA-UHFFFAOYSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627380816 545829382 /nfs/dbraw/zinc/82/93/82/545829382.db2.gz ZLTIHCKXVLWJBQ-QWHCGFSZSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380816 545829387 /nfs/dbraw/zinc/82/93/87/545829387.db2.gz ZLTIHCKXVLWJBQ-QWHCGFSZSA-N 1 1 310.398 -1.309 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193206319 781998441 /nfs/dbraw/zinc/99/84/41/781998441.db2.gz ZJAGGHQHSNLEBB-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193206319 781998449 /nfs/dbraw/zinc/99/84/49/781998449.db2.gz ZJAGGHQHSNLEBB-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193205708 781998538 /nfs/dbraw/zinc/99/85/38/781998538.db2.gz UYQKMCPVOJORFL-GHMZBOCLSA-N 1 1 324.385 -1.262 20 0 DAADMO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627395912 545830967 /nfs/dbraw/zinc/83/09/67/545830967.db2.gz ZECRRIFFKCNEBO-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000666101517 545831696 /nfs/dbraw/zinc/83/16/96/545831696.db2.gz DMAHDQUVJYRTGM-GHMZBOCLSA-N 1 1 323.415 -1.588 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000666101517 545831702 /nfs/dbraw/zinc/83/17/02/545831702.db2.gz DMAHDQUVJYRTGM-GHMZBOCLSA-N 1 1 323.415 -1.588 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666101518 545832304 /nfs/dbraw/zinc/83/23/04/545832304.db2.gz DMAHDQUVJYRTGM-MNOVXSKESA-N 1 1 323.415 -1.588 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666101518 545832308 /nfs/dbraw/zinc/83/23/08/545832308.db2.gz DMAHDQUVJYRTGM-MNOVXSKESA-N 1 1 323.415 -1.588 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC(=O)N1 ZINC000658625309 545834407 /nfs/dbraw/zinc/83/44/07/545834407.db2.gz HLERXORAPZDDBS-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193206483 781999053 /nfs/dbraw/zinc/99/90/53/781999053.db2.gz ZZEWOUGFDPJUET-JTQLQIEISA-N 1 1 310.358 -1.650 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193206483 781999064 /nfs/dbraw/zinc/99/90/64/781999064.db2.gz ZZEWOUGFDPJUET-JTQLQIEISA-N 1 1 310.358 -1.650 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)n[nH]2)[C@H]2NCN[C@H]21 ZINC001193304838 782000485 /nfs/dbraw/zinc/00/04/85/782000485.db2.gz IJOYNRPALPBBKL-XLPZGREQSA-N 1 1 316.163 -1.695 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)n[nH]2)[C@@H]2NCN[C@H]21 ZINC001193304836 782000800 /nfs/dbraw/zinc/00/08/00/782000800.db2.gz IJOYNRPALPBBKL-RNJXMRFFSA-N 1 1 316.163 -1.695 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001193438089 782001399 /nfs/dbraw/zinc/00/13/99/782001399.db2.gz SEZJIFJKSDYOQO-IJLUTSLNSA-N 1 1 301.387 -1.357 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001193447358 782001531 /nfs/dbraw/zinc/00/15/31/782001531.db2.gz PGHISCHZWLZLNT-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001193447116 782001639 /nfs/dbraw/zinc/00/16/39/782001639.db2.gz JSNSBEGENZQOCY-OPRDCNLKSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373247 782001729 /nfs/dbraw/zinc/00/17/29/782001729.db2.gz LYWQXGXALIVKGB-DTWKUNHWSA-N 1 1 323.357 -1.537 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2nnnn2C)[C@H](C)C1 ZINC000673000089 545865456 /nfs/dbraw/zinc/86/54/56/545865456.db2.gz MHXBFFJTWVZUIE-GHMZBOCLSA-N 1 1 311.390 -1.151 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193377329 782002340 /nfs/dbraw/zinc/00/23/40/782002340.db2.gz QOJZLGXONDRTEN-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193377329 782002346 /nfs/dbraw/zinc/00/23/46/782002346.db2.gz QOJZLGXONDRTEN-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)C1=O ZINC001193443091 782002767 /nfs/dbraw/zinc/00/27/67/782002767.db2.gz SZUQOJGVMZVQIJ-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391742 782003053 /nfs/dbraw/zinc/00/30/53/782003053.db2.gz SGXNXJAJMNIBOR-MGPQQGTHSA-N 1 1 324.381 -1.422 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193482370 782004001 /nfs/dbraw/zinc/00/40/01/782004001.db2.gz KQVLXPANIYBYFF-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193474152 782004437 /nfs/dbraw/zinc/00/44/37/782004437.db2.gz ZEPUDXSRUDMFFH-OPRDCNLKSA-N 1 1 309.388 -2.580 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465635 782004461 /nfs/dbraw/zinc/00/44/61/782004461.db2.gz YBJUCGDCIITCMX-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1=O ZINC001193421918 782004672 /nfs/dbraw/zinc/00/46/72/782004672.db2.gz KCMPJAYEKKDXBT-IJLUTSLNSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1=O ZINC001193421918 782004682 /nfs/dbraw/zinc/00/46/82/782004682.db2.gz KCMPJAYEKKDXBT-IJLUTSLNSA-N 1 1 315.370 -2.365 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193464643 782004740 /nfs/dbraw/zinc/00/47/40/782004740.db2.gz CGPMRCIZCJKVHO-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193465610 782004784 /nfs/dbraw/zinc/00/47/84/782004784.db2.gz XDYYBQPZISDEKP-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001193450471 782004998 /nfs/dbraw/zinc/00/49/98/782004998.db2.gz HTUGBKDHHQQMKZ-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)S(C)(=O)=O ZINC001193464671 782005049 /nfs/dbraw/zinc/00/50/49/782005049.db2.gz DYIDYMKRXIZQDK-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001193455385 782006618 /nfs/dbraw/zinc/00/66/18/782006618.db2.gz BCZLWDSBRYTHCO-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1O ZINC001193535154 782006733 /nfs/dbraw/zinc/00/67/33/782006733.db2.gz DVTVVAYMAILRGF-GHMZBOCLSA-N 1 1 318.374 -2.260 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1O ZINC001193535154 782006744 /nfs/dbraw/zinc/00/67/44/782006744.db2.gz DVTVVAYMAILRGF-GHMZBOCLSA-N 1 1 318.374 -2.260 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193482386 782007528 /nfs/dbraw/zinc/00/75/28/782007528.db2.gz KWLIGKGLIFZEGJ-GHMZBOCLSA-N 1 1 303.359 -2.365 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193499804 782007552 /nfs/dbraw/zinc/00/75/52/782007552.db2.gz KJWCZEWZGGORSR-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193498433 782007850 /nfs/dbraw/zinc/00/78/50/782007850.db2.gz CFPJNHIUOOQURX-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001193515438 782008914 /nfs/dbraw/zinc/00/89/14/782008914.db2.gz UWUGLJFESXVNPF-JHJVBQTASA-N 1 1 309.366 -1.220 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193527645 782010076 /nfs/dbraw/zinc/01/00/76/782010076.db2.gz KKHFEQZLAURWJW-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193527645 782010085 /nfs/dbraw/zinc/01/00/85/782010085.db2.gz KKHFEQZLAURWJW-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001193595114 782010691 /nfs/dbraw/zinc/01/06/91/782010691.db2.gz MOJUHHARZBCKOZ-IJLUTSLNSA-N 1 1 320.361 -1.326 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001193595114 782010702 /nfs/dbraw/zinc/01/07/02/782010702.db2.gz MOJUHHARZBCKOZ-IJLUTSLNSA-N 1 1 320.361 -1.326 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193619577 782010932 /nfs/dbraw/zinc/01/09/32/782010932.db2.gz KUQVPGSULOXRPI-VXGBXAGGSA-N 1 1 319.369 -1.168 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)NCCN2C(=O)CNC2=O)n1C ZINC000530962268 409329539 /nfs/dbraw/zinc/32/95/39/409329539.db2.gz AQFWSOKMMLBGRI-UHFFFAOYSA-N 1 1 323.357 -1.163 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)[C@H]2C1 ZINC000646919004 409323644 /nfs/dbraw/zinc/32/36/44/409323644.db2.gz CMZOPOQQEOUQCA-KOLCDFICSA-N 1 1 313.383 -1.307 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000647033409 409326160 /nfs/dbraw/zinc/32/61/60/409326160.db2.gz ZPVLBQGFCRITIW-GHMZBOCLSA-N 1 1 311.386 -2.005 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000647033415 409326394 /nfs/dbraw/zinc/32/63/94/409326394.db2.gz ZPVLBQGFCRITIW-WDEREUQCSA-N 1 1 311.386 -2.005 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000647033413 409326550 /nfs/dbraw/zinc/32/65/50/409326550.db2.gz ZPVLBQGFCRITIW-MNOVXSKESA-N 1 1 311.386 -2.005 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000647033414 409327251 /nfs/dbraw/zinc/32/72/51/409327251.db2.gz ZPVLBQGFCRITIW-QWRGUYRKSA-N 1 1 311.386 -2.005 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)C1 ZINC000647029194 409327269 /nfs/dbraw/zinc/32/72/69/409327269.db2.gz XZTWFHUJVADSIN-QWRGUYRKSA-N 1 1 312.370 -1.530 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298667 409327896 /nfs/dbraw/zinc/32/78/96/409327896.db2.gz CBXGPTOPJRFLSH-WDEREUQCSA-N 1 1 303.384 -1.701 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000651167211 409360897 /nfs/dbraw/zinc/36/08/97/409360897.db2.gz BJXRJVLYMSOKJP-GHMZBOCLSA-N 1 1 310.354 -1.406 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000651167211 409360902 /nfs/dbraw/zinc/36/09/02/409360902.db2.gz BJXRJVLYMSOKJP-GHMZBOCLSA-N 1 1 310.354 -1.406 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647679197 409361170 /nfs/dbraw/zinc/36/11/70/409361170.db2.gz SBFJOBIVNCWYOB-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000644735599 409361421 /nfs/dbraw/zinc/36/14/21/409361421.db2.gz ZJUCWSJJILKQNF-VHSXEESVSA-N 1 1 321.381 -1.515 20 0 DAADMO CCN1CCN(CC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C(=O)C1=O ZINC000651105971 409362139 /nfs/dbraw/zinc/36/21/39/409362139.db2.gz OOXAEMZLRVHHGR-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO O=C(N[C@@H]1CCc2nnnn2CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651165182 409362499 /nfs/dbraw/zinc/36/24/99/409362499.db2.gz WAQRLUJWUAUMJB-ZYHUDNBSSA-N 1 1 321.385 -1.162 20 0 DAADMO O=C(N[C@@H]1CCc2nnnn2CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651165182 409362502 /nfs/dbraw/zinc/36/25/02/409362502.db2.gz WAQRLUJWUAUMJB-ZYHUDNBSSA-N 1 1 321.385 -1.162 20 0 DAADMO O=C(N[C@H]1CCc2nnnn2CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651165181 409362586 /nfs/dbraw/zinc/36/25/86/409362586.db2.gz WAQRLUJWUAUMJB-CMPLNLGQSA-N 1 1 321.385 -1.162 20 0 DAADMO O=C(N[C@H]1CCc2nnnn2CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651165181 409362589 /nfs/dbraw/zinc/36/25/89/409362589.db2.gz WAQRLUJWUAUMJB-CMPLNLGQSA-N 1 1 321.385 -1.162 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000651273633 409363941 /nfs/dbraw/zinc/36/39/41/409363941.db2.gz TUGZORSAJWEHML-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000651274585 409364076 /nfs/dbraw/zinc/36/40/76/409364076.db2.gz WKIXAUAVAUTTTR-GHMZBOCLSA-N 1 1 317.411 -1.135 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000651265139 409364170 /nfs/dbraw/zinc/36/41/70/409364170.db2.gz DZAKFRVXCUYOKY-SNVBAGLBSA-N 1 1 321.385 -1.055 20 0 DAADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000408067068 409364836 /nfs/dbraw/zinc/36/48/36/409364836.db2.gz AOHQRDMTIYEBLH-VHSXEESVSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 ZINC000651271392 409364902 /nfs/dbraw/zinc/36/49/02/409364902.db2.gz ZSDUBCPKJGHRSV-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000651273632 409365103 /nfs/dbraw/zinc/36/51/03/409365103.db2.gz TUGZORSAJWEHML-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651306644 409365393 /nfs/dbraw/zinc/36/53/93/409365393.db2.gz COEUMBJEJMEKBW-LBPRGKRZSA-N 1 1 322.413 -1.257 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000651306644 409365398 /nfs/dbraw/zinc/36/53/98/409365398.db2.gz COEUMBJEJMEKBW-LBPRGKRZSA-N 1 1 322.413 -1.257 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000651265138 409365585 /nfs/dbraw/zinc/36/55/85/409365585.db2.gz DZAKFRVXCUYOKY-JTQLQIEISA-N 1 1 321.385 -1.055 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000363146836 409366826 /nfs/dbraw/zinc/36/68/26/409366826.db2.gz ICSHUXLPPYGNLG-VXGBXAGGSA-N 1 1 316.427 -1.474 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000408097950 409369843 /nfs/dbraw/zinc/36/98/43/409369843.db2.gz RLAKRCOGQWSQKT-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO [NH3+][C@@H]1CCCCN(CC(=O)NCC(=O)N2CCNCC2)C1=O ZINC000647689836 409370744 /nfs/dbraw/zinc/37/07/44/409370744.db2.gz BNNYSBULKWFXDH-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO C[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000408145527 409373427 /nfs/dbraw/zinc/37/34/27/409373427.db2.gz STJHCVZXCWZVQE-LLVKDONJSA-N 1 1 319.431 -2.030 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000651629346 409373578 /nfs/dbraw/zinc/37/35/78/409373578.db2.gz UAQSSENSOCAMKQ-ZJUUUORDSA-N 1 1 323.353 -1.319 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000651629346 409373581 /nfs/dbraw/zinc/37/35/81/409373581.db2.gz UAQSSENSOCAMKQ-ZJUUUORDSA-N 1 1 323.353 -1.319 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647709008 409375799 /nfs/dbraw/zinc/37/57/99/409375799.db2.gz QPYOLKPJMHLMJY-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647709009 409377147 /nfs/dbraw/zinc/37/71/47/409377147.db2.gz QPYOLKPJMHLMJY-WDEREUQCSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000651736016 409377851 /nfs/dbraw/zinc/37/78/51/409377851.db2.gz KOFNNASHVSPBPF-AWEZNQCLSA-N 1 1 309.370 -1.436 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651842148 409379047 /nfs/dbraw/zinc/37/90/47/409379047.db2.gz KWMTVZFVNBENQR-MNOVXSKESA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000652322187 409382156 /nfs/dbraw/zinc/38/21/56/409382156.db2.gz DOAHSPWUSOHIIK-GHMZBOCLSA-N 1 1 304.416 -1.113 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000408199352 409382360 /nfs/dbraw/zinc/38/23/60/409382360.db2.gz RGDWXCIJJGVGJP-NWDGAFQWSA-N 1 1 307.416 -1.568 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000652322189 409383101 /nfs/dbraw/zinc/38/31/01/409383101.db2.gz DOAHSPWUSOHIIK-QWRGUYRKSA-N 1 1 304.416 -1.113 20 0 DAADMO CCN1CCN(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C(=O)C1=O ZINC000644821973 409385875 /nfs/dbraw/zinc/38/58/75/409385875.db2.gz NPRQSKZRRAZRFG-VXGBXAGGSA-N 1 1 308.382 -1.160 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000652487983 409386085 /nfs/dbraw/zinc/38/60/85/409386085.db2.gz ZIKRGYZLGWGNLQ-OLZOCXBDSA-N 1 1 315.414 -1.108 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c(=O)n(C)c1=O ZINC000661704507 409386601 /nfs/dbraw/zinc/38/66/01/409386601.db2.gz ILFRCQLVXGVCOK-PSLIRLAXSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(=O)n(C)c1=O ZINC000661704507 409386609 /nfs/dbraw/zinc/38/66/09/409386609.db2.gz ILFRCQLVXGVCOK-PSLIRLAXSA-N 1 1 322.365 -1.183 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713395 409386704 /nfs/dbraw/zinc/38/67/04/409386704.db2.gz ABPHOJROFLTSNF-XJKSGUPXSA-N 1 1 324.425 -1.325 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000365817184 409390681 /nfs/dbraw/zinc/39/06/81/409390681.db2.gz HAQZTUAOEKPROB-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000365817184 409390691 /nfs/dbraw/zinc/39/06/91/409390691.db2.gz HAQZTUAOEKPROB-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO O=C(CN1CCOCC1)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000531548190 409391333 /nfs/dbraw/zinc/39/13/33/409391333.db2.gz POLVWYWQRCAMSX-UHFFFAOYSA-N 1 1 313.398 -1.528 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CNC(N)=O)CC1=O ZINC000644894345 409392575 /nfs/dbraw/zinc/39/25/75/409392575.db2.gz SQCIHTBSIUYISU-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CNC(N)=O)CC1=O ZINC000644894341 409392763 /nfs/dbraw/zinc/39/27/63/409392763.db2.gz SQCIHTBSIUYISU-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000408437444 409396484 /nfs/dbraw/zinc/39/64/84/409396484.db2.gz APQQOIZUZFNJJK-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093602 409398845 /nfs/dbraw/zinc/39/88/45/409398845.db2.gz RWEFEWCFVWIGDO-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093602 409398847 /nfs/dbraw/zinc/39/88/47/409398847.db2.gz RWEFEWCFVWIGDO-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647805427 409398975 /nfs/dbraw/zinc/39/89/75/409398975.db2.gz MHWQUDPMBFLOLN-UHFFFAOYSA-N 1 1 317.411 -1.188 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)C[C@@H]21 ZINC000518483652 409334473 /nfs/dbraw/zinc/33/44/73/409334473.db2.gz AQHVMWVNTGBOBW-HZSPNIEDSA-N 1 1 322.409 -1.166 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CO)CC2)c(=O)n(C)c1=O ZINC000293234557 409335098 /nfs/dbraw/zinc/33/50/98/409335098.db2.gz SLMILHDDCWYOCL-SNVBAGLBSA-N 1 1 324.381 -1.057 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)c(=O)n(C)c1=O ZINC000293234557 409335102 /nfs/dbraw/zinc/33/51/02/409335102.db2.gz SLMILHDDCWYOCL-SNVBAGLBSA-N 1 1 324.381 -1.057 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000518357626 409335590 /nfs/dbraw/zinc/33/55/90/409335590.db2.gz UZNUOODOVVQUNZ-AWEZNQCLSA-N 1 1 324.425 -1.059 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650663179 409339871 /nfs/dbraw/zinc/33/98/71/409339871.db2.gz ABNKASUSVKOXPP-LLVKDONJSA-N 1 1 320.415 -1.614 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650663179 409339876 /nfs/dbraw/zinc/33/98/76/409339876.db2.gz ABNKASUSVKOXPP-LLVKDONJSA-N 1 1 320.415 -1.614 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000408387060 409342285 /nfs/dbraw/zinc/34/22/85/409342285.db2.gz VYQNSFBQVLCVCF-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCO)CCN1CCOCC1 ZINC000448100230 409343274 /nfs/dbraw/zinc/34/32/74/409343274.db2.gz ZSUAEOVQXJFKEI-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCO)CCN1CCOCC1 ZINC000448100230 409343277 /nfs/dbraw/zinc/34/32/77/409343277.db2.gz ZSUAEOVQXJFKEI-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000133565232 409345968 /nfs/dbraw/zinc/34/59/68/409345968.db2.gz NHPDHFJONDIPKT-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000443328755 409347126 /nfs/dbraw/zinc/34/71/26/409347126.db2.gz GVHHQMVWEJUZLP-HBNTYKKESA-N 1 1 305.375 -1.089 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000644129768 409347971 /nfs/dbraw/zinc/34/79/71/409347971.db2.gz QRDCMQZZMUSWKY-LLVKDONJSA-N 1 1 309.370 -1.002 20 0 DAADMO CN1CC[C@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)S1(=O)=O ZINC000648262730 409352499 /nfs/dbraw/zinc/35/24/99/409352499.db2.gz AIRSMCXUWTZSKM-SNVBAGLBSA-N 1 1 315.399 -1.161 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413909811 409401407 /nfs/dbraw/zinc/40/14/07/409401407.db2.gz WNSJVLRFTZGRDT-NSHDSACASA-N 1 1 315.370 -1.346 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@H+](CCC(=O)N3CCNCC3)CCN2C1=O ZINC000647891557 409401569 /nfs/dbraw/zinc/40/15/69/409401569.db2.gz PVUGWONISFOYJK-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)N3CCNCC3)CCN2C1=O ZINC000647891557 409401578 /nfs/dbraw/zinc/40/15/78/409401578.db2.gz PVUGWONISFOYJK-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413909808 409401627 /nfs/dbraw/zinc/40/16/27/409401627.db2.gz WNSJVLRFTZGRDT-LLVKDONJSA-N 1 1 315.370 -1.346 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000340218013 409407321 /nfs/dbraw/zinc/40/73/21/409407321.db2.gz JVLHYOZCQSZNJT-VIFPVBQESA-N 1 1 300.359 -1.079 20 0 DAADMO O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000659525687 409407740 /nfs/dbraw/zinc/40/77/40/409407740.db2.gz UEECJDPJTDACDT-UONOGXRCSA-N 1 1 322.409 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000341103535 409410138 /nfs/dbraw/zinc/41/01/38/409410138.db2.gz GRSTZEWRDGDINP-MNOVXSKESA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000341103535 409410149 /nfs/dbraw/zinc/41/01/49/409410149.db2.gz GRSTZEWRDGDINP-MNOVXSKESA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000341103532 409411161 /nfs/dbraw/zinc/41/11/61/409411161.db2.gz GRSTZEWRDGDINP-GHMZBOCLSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000341103532 409411167 /nfs/dbraw/zinc/41/11/67/409411167.db2.gz GRSTZEWRDGDINP-GHMZBOCLSA-N 1 1 305.400 -1.013 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000341542288 409414634 /nfs/dbraw/zinc/41/46/34/409414634.db2.gz FRBZZBAMFCLMPJ-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](O)C1)S(C)(=O)=O ZINC000330440151 409415956 /nfs/dbraw/zinc/41/59/56/409415956.db2.gz PHIMZNMMRYXYHG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CCC[C@H](O)C1)S(C)(=O)=O ZINC000330440151 409415965 /nfs/dbraw/zinc/41/59/65/409415965.db2.gz PHIMZNMMRYXYHG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330413218 409417040 /nfs/dbraw/zinc/41/70/40/409417040.db2.gz LTUDHPPXSCRZDP-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330413218 409417049 /nfs/dbraw/zinc/41/70/49/409417049.db2.gz LTUDHPPXSCRZDP-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000330489921 409417401 /nfs/dbraw/zinc/41/74/01/409417401.db2.gz MWZFGRKQONVBBG-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000330549271 409418474 /nfs/dbraw/zinc/41/84/74/409418474.db2.gz RHXCPJNWZJGQMX-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000330549271 409418478 /nfs/dbraw/zinc/41/84/78/409418478.db2.gz RHXCPJNWZJGQMX-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000330591848 409420274 /nfs/dbraw/zinc/42/02/74/409420274.db2.gz VRVMODNEFWDAQY-DCAQKATOSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000330591848 409420279 /nfs/dbraw/zinc/42/02/79/409420279.db2.gz VRVMODNEFWDAQY-DCAQKATOSA-N 1 1 313.354 -1.404 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000330625872 409421621 /nfs/dbraw/zinc/42/16/21/409421621.db2.gz IEHDFPAYWBSGHH-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000330625872 409421625 /nfs/dbraw/zinc/42/16/25/409421625.db2.gz IEHDFPAYWBSGHH-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330705248 409421795 /nfs/dbraw/zinc/42/17/95/409421795.db2.gz KNIIJMHOSBBUBM-VIFPVBQESA-N 1 1 312.326 -1.756 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330705248 409421798 /nfs/dbraw/zinc/42/17/98/409421798.db2.gz KNIIJMHOSBBUBM-VIFPVBQESA-N 1 1 312.326 -1.756 20 0 DAADMO COC(=O)CCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000330582265 409422136 /nfs/dbraw/zinc/42/21/36/409422136.db2.gz UYDVPGCETUYHIS-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)CCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000330582265 409422141 /nfs/dbraw/zinc/42/21/41/409422141.db2.gz UYDVPGCETUYHIS-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000330649414 409422254 /nfs/dbraw/zinc/42/22/54/409422254.db2.gz JILNRDBSFNAGIP-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COC(=O)CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000330582269 409422389 /nfs/dbraw/zinc/42/23/89/409422389.db2.gz UYDVPGCETUYHIS-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000330582269 409422395 /nfs/dbraw/zinc/42/23/95/409422395.db2.gz UYDVPGCETUYHIS-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000330979071 409423442 /nfs/dbraw/zinc/42/34/42/409423442.db2.gz PWXSVTVDZJVIFP-GHMZBOCLSA-N 1 1 312.370 -1.878 20 0 DAADMO CN(CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000330943638 409423605 /nfs/dbraw/zinc/42/36/05/409423605.db2.gz HUCKWJICTFRZMZ-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000331018395 409425748 /nfs/dbraw/zinc/42/57/48/409425748.db2.gz MYPSYSMHDCMRMM-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000344830533 409430641 /nfs/dbraw/zinc/43/06/41/409430641.db2.gz OSXPQUDEIJMLDK-UHFFFAOYSA-N 1 1 316.427 -1.254 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000344494050 409430812 /nfs/dbraw/zinc/43/08/12/409430812.db2.gz FYDSKYDJJHWCNY-LLVKDONJSA-N 1 1 301.343 -1.497 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000344494050 409430818 /nfs/dbraw/zinc/43/08/18/409430818.db2.gz FYDSKYDJJHWCNY-LLVKDONJSA-N 1 1 301.343 -1.497 20 0 DAADMO COC(=O)Cn1cc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000344787605 409431123 /nfs/dbraw/zinc/43/11/23/409431123.db2.gz CZGYYIHXKVOVIY-LBPRGKRZSA-N 1 1 322.369 -1.543 20 0 DAADMO COC(=O)Cn1cc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000344787604 409431178 /nfs/dbraw/zinc/43/11/78/409431178.db2.gz CZGYYIHXKVOVIY-GFCCVEGCSA-N 1 1 322.369 -1.543 20 0 DAADMO COCCNc1nc(N[C@H]2CCOC2)[nH+]c(N[C@H]2CCOC2)n1 ZINC000345044807 409434691 /nfs/dbraw/zinc/43/46/91/409434691.db2.gz RCGFFDSFVKAXAU-QWRGUYRKSA-N 1 1 324.385 -1.403 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344984777 409434937 /nfs/dbraw/zinc/43/49/37/409434937.db2.gz UKUINLOMDMHSBP-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CCC(=O)NC1=O ZINC000345370497 409437648 /nfs/dbraw/zinc/43/76/48/409437648.db2.gz QCNKAALJKCEJKZ-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CN(CCCNC(=O)CN1CCC(=O)NC1=O)CC[NH+](C)C ZINC000345370497 409437653 /nfs/dbraw/zinc/43/76/53/409437653.db2.gz QCNKAALJKCEJKZ-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000345843438 409439213 /nfs/dbraw/zinc/43/92/13/409439213.db2.gz VCAYZSQKLWDYRO-VIFPVBQESA-N 1 1 306.388 -1.073 20 0 DAADMO C[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000345843438 409439217 /nfs/dbraw/zinc/43/92/17/409439217.db2.gz VCAYZSQKLWDYRO-VIFPVBQESA-N 1 1 306.388 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000345868636 409440538 /nfs/dbraw/zinc/44/05/38/409440538.db2.gz FLRLVZDKMSDDTA-NSHDSACASA-N 1 1 323.357 -2.326 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000345868636 409440541 /nfs/dbraw/zinc/44/05/41/409440541.db2.gz FLRLVZDKMSDDTA-NSHDSACASA-N 1 1 323.357 -2.326 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000332612649 409461330 /nfs/dbraw/zinc/46/13/30/409461330.db2.gz GFOXPIGSDWWARW-UPJWGTAASA-N 1 1 311.382 -1.099 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CNC(=O)c1ncccc1O ZINC000347789929 409444761 /nfs/dbraw/zinc/44/47/61/409444761.db2.gz DLEFZRCPDXEQSB-UHFFFAOYSA-N 1 1 310.354 -1.053 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347542936 409445165 /nfs/dbraw/zinc/44/51/65/409445165.db2.gz HAENLBUNIQDBQV-JTQLQIEISA-N 1 1 321.399 -1.239 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC(C)(C)C1 ZINC000347956072 409447669 /nfs/dbraw/zinc/44/76/69/409447669.db2.gz BZTHLNZTUIZOGD-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347974928 409447881 /nfs/dbraw/zinc/44/78/81/409447881.db2.gz WOPBXMMCGQOJSV-GHMZBOCLSA-N 1 1 311.386 -2.305 20 0 DAADMO COC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000348006670 409448705 /nfs/dbraw/zinc/44/87/05/409448705.db2.gz JKQNULRMJPVQQZ-OLZOCXBDSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[C@H]1COCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347965600 409449455 /nfs/dbraw/zinc/44/94/55/409449455.db2.gz LQUBSYBGVVIKQC-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000348631291 409451493 /nfs/dbraw/zinc/45/14/93/409451493.db2.gz ZJDOBTGHOMFZFU-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000348631291 409451495 /nfs/dbraw/zinc/45/14/95/409451495.db2.gz ZJDOBTGHOMFZFU-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)[C@H](C)C1 ZINC000350088143 409453293 /nfs/dbraw/zinc/45/32/93/409453293.db2.gz LCDWCHITLPGRAU-GHMZBOCLSA-N 1 1 322.431 -1.368 20 0 DAADMO C[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[NH+]1CCSCC1 ZINC000329005612 409455939 /nfs/dbraw/zinc/45/59/39/409455939.db2.gz XKWYBRAKNJQXSX-SNVBAGLBSA-N 1 1 322.456 -1.229 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397207 409457327 /nfs/dbraw/zinc/45/73/27/409457327.db2.gz DUERPGRRXVIDLF-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397207 409457333 /nfs/dbraw/zinc/45/73/33/409457333.db2.gz DUERPGRRXVIDLF-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351609218 409458279 /nfs/dbraw/zinc/45/82/79/409458279.db2.gz KIMZDBOSDWQMER-NWDGAFQWSA-N 1 1 320.411 -1.287 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000333733139 409467065 /nfs/dbraw/zinc/46/70/65/409467065.db2.gz WLQKLGMVCWXBBL-ZIAGYGMSSA-N 1 1 313.446 -1.012 20 0 DAADMO CN1C[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000333661272 409467212 /nfs/dbraw/zinc/46/72/12/409467212.db2.gz XAULTMMXOMHELH-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1(F)CCOCC1 ZINC001193595519 782011831 /nfs/dbraw/zinc/01/18/31/782011831.db2.gz XAHLCZRJOWTCKX-VXGBXAGGSA-N 1 1 320.361 -1.325 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1(F)CCOCC1 ZINC001193595519 782011839 /nfs/dbraw/zinc/01/18/39/782011839.db2.gz XAHLCZRJOWTCKX-VXGBXAGGSA-N 1 1 320.361 -1.325 20 0 DAADMO NC(=O)c1ncn([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000332462810 409462293 /nfs/dbraw/zinc/46/22/93/409462293.db2.gz VTYFANJDACMZLQ-LLVKDONJSA-N 1 1 322.369 -1.127 20 0 DAADMO NC(=O)c1ncn([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000332462810 409462296 /nfs/dbraw/zinc/46/22/96/409462296.db2.gz VTYFANJDACMZLQ-LLVKDONJSA-N 1 1 322.369 -1.127 20 0 DAADMO CN1CC[NH+](CCCNC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000332642363 409462717 /nfs/dbraw/zinc/46/27/17/409462717.db2.gz VQZJHUXFCVUPQJ-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H](O)CN1CCOCC1 ZINC000333116577 409464626 /nfs/dbraw/zinc/46/46/26/409464626.db2.gz GLXBHLKVIDSLLN-LBPRGKRZSA-N 1 1 314.386 -2.430 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H](O)CN1CCOCC1 ZINC000333116577 409464632 /nfs/dbraw/zinc/46/46/32/409464632.db2.gz GLXBHLKVIDSLLN-LBPRGKRZSA-N 1 1 314.386 -2.430 20 0 DAADMO CN(CC(=O)N1CCNC(=O)C1)C[C@H](O)C[NH+]1CCOCC1 ZINC000333116577 409464637 /nfs/dbraw/zinc/46/46/37/409464637.db2.gz GLXBHLKVIDSLLN-LBPRGKRZSA-N 1 1 314.386 -2.430 20 0 DAADMO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000333304839 409465277 /nfs/dbraw/zinc/46/52/77/409465277.db2.gz MXLKAVFLEXPZFQ-JGVFFNPUSA-N 1 1 320.353 -1.283 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000352253513 409468520 /nfs/dbraw/zinc/46/85/20/409468520.db2.gz LQEJNDJOKTZRCM-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2O)c(=O)n(C)c1=O ZINC000352668717 409471708 /nfs/dbraw/zinc/47/17/08/409471708.db2.gz UNNRVAPJWXFCGW-BDAKNGLRSA-N 1 1 310.354 -1.306 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c(=O)n(C)c1=O ZINC000352668717 409471713 /nfs/dbraw/zinc/47/17/13/409471713.db2.gz UNNRVAPJWXFCGW-BDAKNGLRSA-N 1 1 310.354 -1.306 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888293 409471905 /nfs/dbraw/zinc/47/19/05/409471905.db2.gz BFJKNHZIQATONN-VXGBXAGGSA-N 1 1 319.427 -1.162 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888293 409471911 /nfs/dbraw/zinc/47/19/11/409471911.db2.gz BFJKNHZIQATONN-VXGBXAGGSA-N 1 1 319.427 -1.162 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799741 409472554 /nfs/dbraw/zinc/47/25/54/409472554.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 1 1 316.398 -1.614 20 0 DAADMO CN(CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@H]1O ZINC000352799741 409472560 /nfs/dbraw/zinc/47/25/60/409472560.db2.gz GFAROQROOKXRMR-SYQHCUMBSA-N 1 1 316.398 -1.614 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCC[C@@H]2O)c(=O)n(C)c1=O ZINC000352668719 409472723 /nfs/dbraw/zinc/47/27/23/409472723.db2.gz UNNRVAPJWXFCGW-IUCAKERBSA-N 1 1 310.354 -1.306 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)c(=O)n(C)c1=O ZINC000352668719 409472727 /nfs/dbraw/zinc/47/27/27/409472727.db2.gz UNNRVAPJWXFCGW-IUCAKERBSA-N 1 1 310.354 -1.306 20 0 DAADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000352563761 409469137 /nfs/dbraw/zinc/46/91/37/409469137.db2.gz TUODZUNJHRAYJW-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000352563761 409469142 /nfs/dbraw/zinc/46/91/42/409469142.db2.gz TUODZUNJHRAYJW-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352250195 409469178 /nfs/dbraw/zinc/46/91/78/409469178.db2.gz DMWFRTYHIVWAQJ-QMMMGPOBSA-N 1 1 306.388 -1.169 20 0 DAADMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000353576653 409476099 /nfs/dbraw/zinc/47/60/99/409476099.db2.gz IYPHSUBUZYVMJT-GFCCVEGCSA-N 1 1 320.349 -1.121 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000353145955 409476177 /nfs/dbraw/zinc/47/61/77/409476177.db2.gz MRQHFFSXMSIMCZ-LLVKDONJSA-N 1 1 322.431 -1.392 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@H](CO)C2)CC1 ZINC000354047842 409478317 /nfs/dbraw/zinc/47/83/17/409478317.db2.gz ASGRSNMCTZFGIE-ZDUSSCGKSA-N 1 1 311.382 -1.026 20 0 DAADMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000354117029 409478544 /nfs/dbraw/zinc/47/85/44/409478544.db2.gz PIHKMJPPTJVMID-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc(C(N)=O)nn3)C2)C1 ZINC000354694965 409480169 /nfs/dbraw/zinc/48/01/69/409480169.db2.gz UYOVPDKJANVJGL-NSHDSACASA-N 1 1 308.342 -1.519 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(n3cc(C(N)=O)nn3)C2)C1 ZINC000354694965 409480175 /nfs/dbraw/zinc/48/01/75/409480175.db2.gz UYOVPDKJANVJGL-NSHDSACASA-N 1 1 308.342 -1.519 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000355122726 409480285 /nfs/dbraw/zinc/48/02/85/409480285.db2.gz ACUSIYDYALFQKJ-QWRGUYRKSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](CO)O1 ZINC000355123649 409480470 /nfs/dbraw/zinc/48/04/70/409480470.db2.gz BIQXHAJWDNWWMK-MDZLAQPJSA-N 1 1 311.382 -1.053 20 0 DAADMO COCCC(=O)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000355089242 409480827 /nfs/dbraw/zinc/48/08/27/409480827.db2.gz QLYNJWRITRAOTM-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000353799527 409474598 /nfs/dbraw/zinc/47/45/98/409474598.db2.gz DOPUFMKKKGBXKY-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000353799527 409474602 /nfs/dbraw/zinc/47/46/02/409474602.db2.gz DOPUFMKKKGBXKY-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC000355368464 409482840 /nfs/dbraw/zinc/48/28/40/409482840.db2.gz OWFQPYWFEROPMH-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000355302977 409483999 /nfs/dbraw/zinc/48/39/99/409483999.db2.gz WJFUPJGWFHHDRD-QWHCGFSZSA-N 1 1 313.446 -1.195 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000356475222 409487280 /nfs/dbraw/zinc/48/72/80/409487280.db2.gz QKDOWHMPBDLBPQ-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC000356533455 409487536 /nfs/dbraw/zinc/48/75/36/409487536.db2.gz VYGMOCGKIXFTED-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO CN(CCCNC(=O)CN1CCN(C)C(=O)C1)CC[NH+](C)C ZINC000356533455 409487540 /nfs/dbraw/zinc/48/75/40/409487540.db2.gz VYGMOCGKIXFTED-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000355367379 409482046 /nfs/dbraw/zinc/48/20/46/409482046.db2.gz OGIAJBIETCBORY-WDEREUQCSA-N 1 1 322.431 -1.368 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000358574911 409495665 /nfs/dbraw/zinc/49/56/65/409495665.db2.gz VANORJSUWMNMQG-SBKAZYGRSA-N 1 1 307.416 -1.436 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000358574911 409495669 /nfs/dbraw/zinc/49/56/69/409495669.db2.gz VANORJSUWMNMQG-SBKAZYGRSA-N 1 1 307.416 -1.436 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000358441393 409496095 /nfs/dbraw/zinc/49/60/95/409496095.db2.gz JUMTVSDQZVOBCK-SNVBAGLBSA-N 1 1 321.399 -1.239 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000358654203 409496141 /nfs/dbraw/zinc/49/61/41/409496141.db2.gz VOUPFHRGDRCIEY-ZDUSSCGKSA-N 1 1 310.358 -1.495 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000358574133 409496333 /nfs/dbraw/zinc/49/63/33/409496333.db2.gz PANFZRPQSIYFOE-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000358574150 409496532 /nfs/dbraw/zinc/49/65/32/409496532.db2.gz PANFZRPQSIYFOE-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000358457695 409496836 /nfs/dbraw/zinc/49/68/36/409496836.db2.gz ZXPOOCFCYNBIGS-VIFPVBQESA-N 1 1 307.372 -1.581 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C[C@@H]1C(N)=O ZINC000356950230 409488862 /nfs/dbraw/zinc/48/88/62/409488862.db2.gz PBRURNFTHKDFKO-OUAUKWLOSA-N 1 1 313.354 -1.824 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000356970200 409491146 /nfs/dbraw/zinc/49/11/46/409491146.db2.gz ZSICUDPRHOFPLM-MNOVXSKESA-N 1 1 313.354 -1.680 20 0 DAADMO Cn1nncc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000357492860 409493681 /nfs/dbraw/zinc/49/36/81/409493681.db2.gz KQTKXAIHTUQMJU-VIFPVBQESA-N 1 1 316.387 -1.567 20 0 DAADMO Cn1nncc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000357492860 409493688 /nfs/dbraw/zinc/49/36/88/409493688.db2.gz KQTKXAIHTUQMJU-VIFPVBQESA-N 1 1 316.387 -1.567 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428549239 409556243 /nfs/dbraw/zinc/55/62/43/409556243.db2.gz SDLXXSDKYGRQBA-NTZNESFSSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428549239 409556251 /nfs/dbraw/zinc/55/62/51/409556251.db2.gz SDLXXSDKYGRQBA-NTZNESFSSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[N@@H+]1CCO ZINC000428164442 409558202 /nfs/dbraw/zinc/55/82/02/409558202.db2.gz ZUYYGZIYNKYIEB-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000428164442 409558209 /nfs/dbraw/zinc/55/82/09/409558209.db2.gz ZUYYGZIYNKYIEB-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000515470139 409558525 /nfs/dbraw/zinc/55/85/25/409558525.db2.gz ZIOXMSLKIGJDGT-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000429926918 409564822 /nfs/dbraw/zinc/56/48/22/409564822.db2.gz NJHCSYDYUYVJCD-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000648111043 409498190 /nfs/dbraw/zinc/49/81/90/409498190.db2.gz PLBIZZPJVVYZEE-SECBINFHSA-N 1 1 306.313 -1.176 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCNC(=O)c2cnccn2)C1 ZINC000358720171 409500229 /nfs/dbraw/zinc/50/02/29/409500229.db2.gz LMWMGNNMRVAVIR-CQSZACIVSA-N 1 1 322.369 -1.428 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[N@@H+](C)C1CC1 ZINC000359432083 409503178 /nfs/dbraw/zinc/50/31/78/409503178.db2.gz RUBZWIUQGHTQTK-IUCAKERBSA-N 1 1 320.415 -1.622 20 0 DAADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359422879 409503189 /nfs/dbraw/zinc/50/31/89/409503189.db2.gz HUURNBLDFDHRQX-SECBINFHSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C(C)C ZINC000359422846 409503341 /nfs/dbraw/zinc/50/33/41/409503341.db2.gz HNAIQFNAWLFCKO-JTQLQIEISA-N 1 1 322.431 -1.374 20 0 DAADMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000361358506 409508326 /nfs/dbraw/zinc/50/83/26/409508326.db2.gz XXYBFUQYAIXXKY-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](O)C[C@H]2CO)CC1 ZINC000361356043 409508603 /nfs/dbraw/zinc/50/86/03/409508603.db2.gz OXOFSUBNVCDDCF-NWDGAFQWSA-N 1 1 314.386 -1.712 20 0 DAADMO COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362116979 409509558 /nfs/dbraw/zinc/50/95/58/409509558.db2.gz HRLBIFGZHSPAMA-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCCN2CCOCC2)C1 ZINC000361816300 409510248 /nfs/dbraw/zinc/51/02/48/409510248.db2.gz TXZGSZRSUIRFDW-ZDUSSCGKSA-N 1 1 321.443 -1.305 20 0 DAADMO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(=O)N(C)C ZINC000361413792 409510759 /nfs/dbraw/zinc/51/07/59/409510759.db2.gz FQLAFKPHWIQOBF-SMDDNHRTSA-N 1 1 316.402 -1.155 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372154782 409513592 /nfs/dbraw/zinc/51/35/92/409513592.db2.gz BLJOCKXLFCKNFN-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372154782 409513594 /nfs/dbraw/zinc/51/35/94/409513594.db2.gz BLJOCKXLFCKNFN-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCNC(N)=O)CC1 ZINC000372055531 409515560 /nfs/dbraw/zinc/51/55/60/409515560.db2.gz DNNHOYKEBLNNPM-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO Cn1cnn(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1=O ZINC000373122318 409515760 /nfs/dbraw/zinc/51/57/60/409515760.db2.gz FIDXZAPZFBXWGL-CYBMUJFWSA-N 1 1 322.413 -1.180 20 0 DAADMO COCCN(CC(=O)N(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000120702385 409516362 /nfs/dbraw/zinc/51/63/62/409516362.db2.gz HYWQYVNVUTWBQA-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C(=O)N1CCOCC1 ZINC000375496436 409518741 /nfs/dbraw/zinc/51/87/41/409518741.db2.gz DPFUPOJBZMMTAT-GHMZBOCLSA-N 1 1 312.370 -1.002 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375478227 409518817 /nfs/dbraw/zinc/51/88/17/409518817.db2.gz LQSMQNVJXRSODJ-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO C[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC(C)(CO)CO ZINC000432428777 409570228 /nfs/dbraw/zinc/57/02/28/409570228.db2.gz BDJKOFQTUGOXAA-LLVKDONJSA-N 1 1 301.387 -1.367 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000653491082 409523709 /nfs/dbraw/zinc/52/37/09/409523709.db2.gz KHRFSRHSLZZXMH-GFCCVEGCSA-N 1 1 308.448 -1.277 20 0 DAADMO C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC(C)(CO)CO ZINC000432428777 409570236 /nfs/dbraw/zinc/57/02/36/409570236.db2.gz BDJKOFQTUGOXAA-LLVKDONJSA-N 1 1 301.387 -1.367 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000653019188 409529471 /nfs/dbraw/zinc/52/94/71/409529471.db2.gz JRWANBFZKZNPST-JTQLQIEISA-N 1 1 308.404 -1.733 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[NH2+]CCN2C)n1 ZINC000420269084 409537414 /nfs/dbraw/zinc/53/74/14/409537414.db2.gz ICXHJZUETCKJGT-LLVKDONJSA-N 1 1 324.433 -2.323 20 0 DAADMO CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC([NH3+])C1 ZINC000420331903 409537516 /nfs/dbraw/zinc/53/75/16/409537516.db2.gz MVHDBDMWLWVELQ-UHFFFAOYSA-N 1 1 306.370 -1.145 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000420156545 409541575 /nfs/dbraw/zinc/54/15/75/409541575.db2.gz VVQLCPCROJIBKA-UHFFFAOYSA-N 1 1 304.297 -1.470 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257148 409550283 /nfs/dbraw/zinc/55/02/83/409550283.db2.gz SHIOSDWPWLBNAB-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000514824372 409553394 /nfs/dbraw/zinc/55/33/94/409553394.db2.gz DYYOMTOAVIXOSS-CQSZACIVSA-N 1 1 323.441 -1.144 20 0 DAADMO Cn1cnn(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1=O ZINC000646439596 409623175 /nfs/dbraw/zinc/62/31/75/409623175.db2.gz HTPAZQFAGMRUDK-VXGBXAGGSA-N 1 1 309.370 -1.097 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CN1CC(=O)NC1=O ZINC000646454443 409624562 /nfs/dbraw/zinc/62/45/62/409624562.db2.gz FUHQKFWHMTTYTQ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)CN1CC[NH+](C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000646572888 409625184 /nfs/dbraw/zinc/62/51/84/409625184.db2.gz ZFCGWNDAPKBPLX-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO CNS(=O)(=O)CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653819140 409629263 /nfs/dbraw/zinc/62/92/63/409629263.db2.gz QALRASGKOJWJJG-UHFFFAOYSA-N 1 1 302.404 -1.124 20 0 DAADMO Cn1cnnc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000653817526 409629309 /nfs/dbraw/zinc/62/93/09/409629309.db2.gz CZAGOPNNTYMYFX-ZDUSSCGKSA-N 1 1 310.402 -1.370 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000646795576 409629693 /nfs/dbraw/zinc/62/96/93/409629693.db2.gz RWZUDOAIZDKHFN-LLVKDONJSA-N 1 1 322.431 -1.404 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)S1(=O)=O ZINC000648918218 409641493 /nfs/dbraw/zinc/64/14/93/409641493.db2.gz OHQHINSQVQECDN-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCCS(=O)(=O)NCCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827008 409633313 /nfs/dbraw/zinc/63/33/13/409633313.db2.gz PRCXUKSXYSUFFP-QWHCGFSZSA-N 1 1 321.443 -1.307 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824857 409633866 /nfs/dbraw/zinc/63/38/66/409633866.db2.gz JTDIDIIEVPGNRE-VHDGCEQUSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC000521657008 409634815 /nfs/dbraw/zinc/63/48/15/409634815.db2.gz JGQPNYVMBBBEHB-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC000521657008 409634823 /nfs/dbraw/zinc/63/48/23/409634823.db2.gz JGQPNYVMBBBEHB-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000646840301 409635136 /nfs/dbraw/zinc/63/51/36/409635136.db2.gz NEFZCTXPZDVLRU-LLVKDONJSA-N 1 1 322.431 -1.533 20 0 DAADMO Cn1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c(=O)n(C)c1=O ZINC000153441241 409636733 /nfs/dbraw/zinc/63/67/33/409636733.db2.gz LSFQLMBBYVOSAF-UHFFFAOYSA-N 1 1 316.383 -1.590 20 0 DAADMO Cn1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000153441241 409636746 /nfs/dbraw/zinc/63/67/46/409636746.db2.gz LSFQLMBBYVOSAF-UHFFFAOYSA-N 1 1 316.383 -1.590 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000372022428 409637989 /nfs/dbraw/zinc/63/79/89/409637989.db2.gz USZWTHDLPFDMBM-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000372022424 409639133 /nfs/dbraw/zinc/63/91/33/409639133.db2.gz USZWTHDLPFDMBM-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](O)C[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 ZINC000653900171 409639340 /nfs/dbraw/zinc/63/93/40/409639340.db2.gz PPWBGCDNVWBBDG-MRVPVSSYSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@@H](O)C[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 ZINC000653900171 409639348 /nfs/dbraw/zinc/63/93/48/409639348.db2.gz PPWBGCDNVWBBDG-MRVPVSSYSA-N 1 1 310.354 -1.306 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)S1(=O)=O ZINC000648773989 409639524 /nfs/dbraw/zinc/63/95/24/409639524.db2.gz GICPWYBCYUYFNZ-NSHDSACASA-N 1 1 319.427 -1.065 20 0 DAADMO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430600651 409571465 /nfs/dbraw/zinc/57/14/65/409571465.db2.gz BRAOTTRHIWEDJF-NSHDSACASA-N 1 1 311.386 -2.268 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372322406 409639682 /nfs/dbraw/zinc/63/96/82/409639682.db2.gz UPOFOVQXMPODRO-QWHCGFSZSA-N 1 1 310.398 -1.572 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1=O ZINC000435361117 409574932 /nfs/dbraw/zinc/57/49/32/409574932.db2.gz JLVHWBOBKWKBHF-JTQLQIEISA-N 1 1 323.353 -1.445 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648775389 409639848 /nfs/dbraw/zinc/63/98/48/409639848.db2.gz KHBWTDAWXJDGNY-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000436997285 409582167 /nfs/dbraw/zinc/58/21/67/409582167.db2.gz HXFPUPIKIVHYMU-LLVKDONJSA-N 1 1 320.349 -1.121 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)S(N)(=O)=O ZINC000442276214 409586539 /nfs/dbraw/zinc/58/65/39/409586539.db2.gz TWBGUYPTALZEPC-IVZWLZJFSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)S(N)(=O)=O ZINC000442276214 409586548 /nfs/dbraw/zinc/58/65/48/409586548.db2.gz TWBGUYPTALZEPC-IVZWLZJFSA-N 1 1 320.415 -1.669 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000440424420 409586643 /nfs/dbraw/zinc/58/66/43/409586643.db2.gz FDKKDSOZCYTDNM-UWVGGRQHSA-N 1 1 313.445 -1.062 20 0 DAADMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286295 409586827 /nfs/dbraw/zinc/58/68/27/409586827.db2.gz UIOMEPDQJJBBJG-NXEZZACHSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286295 409586839 /nfs/dbraw/zinc/58/68/39/409586839.db2.gz UIOMEPDQJJBBJG-NXEZZACHSA-N 1 1 322.369 -1.142 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441229444 409587512 /nfs/dbraw/zinc/58/75/12/409587512.db2.gz SZBZMYFIYCXAJR-BXKDBHETSA-N 1 1 316.354 -1.090 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(=O)[nH]c1=O ZINC000441335593 409587740 /nfs/dbraw/zinc/58/77/40/409587740.db2.gz ZOFYYMJDHKWGLS-GMSGAONNSA-N 1 1 323.353 -1.152 20 0 DAADMO CC[N@@H+](C)CCNS(=O)(=O)CCNS(=O)(=O)CC ZINC000447199533 409590444 /nfs/dbraw/zinc/59/04/44/409590444.db2.gz LDWSGNHHHRTZCS-UHFFFAOYSA-N 1 1 301.434 -1.203 20 0 DAADMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256867 409595515 /nfs/dbraw/zinc/59/55/15/409595515.db2.gz PNHMVLNHHPCLBY-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256867 409595520 /nfs/dbraw/zinc/59/55/20/409595520.db2.gz PNHMVLNHHPCLBY-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646025233 409600504 /nfs/dbraw/zinc/60/05/04/409600504.db2.gz NHZDVLIJQYUWPH-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646025233 409600509 /nfs/dbraw/zinc/60/05/09/409600509.db2.gz NHZDVLIJQYUWPH-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000646118725 409601613 /nfs/dbraw/zinc/60/16/13/409601613.db2.gz ALTKVSVYFWNLBY-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CC(=O)N(CC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000659870913 409603311 /nfs/dbraw/zinc/60/33/11/409603311.db2.gz NNNMAKXPXKPDPA-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000659870913 409603323 /nfs/dbraw/zinc/60/33/23/409603323.db2.gz NNNMAKXPXKPDPA-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1=O ZINC000646016459 409604016 /nfs/dbraw/zinc/60/40/16/409604016.db2.gz OINGOUITLKGYQD-UHFFFAOYSA-N 1 1 311.386 -1.113 20 0 DAADMO COC(=O)N(C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000492870251 409606506 /nfs/dbraw/zinc/60/65/06/409606506.db2.gz ZYSXAVQEYRLVDB-ZDUSSCGKSA-N 1 1 303.359 -1.116 20 0 DAADMO CCOC(=O)NCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000492865357 409606819 /nfs/dbraw/zinc/60/68/19/409606819.db2.gz MGEYVQQQMUMIRJ-CYBMUJFWSA-N 1 1 303.359 -1.068 20 0 DAADMO COC(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000492989655 409608060 /nfs/dbraw/zinc/60/80/60/409608060.db2.gz HLEVBJCXOYVYDM-JTQLQIEISA-N 1 1 321.399 -1.080 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494841088 409611854 /nfs/dbraw/zinc/61/18/54/409611854.db2.gz YHZOYWHJDOLWGQ-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494841088 409611864 /nfs/dbraw/zinc/61/18/64/409611864.db2.gz YHZOYWHJDOLWGQ-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO C[N@@H+](CCCOC(=O)NC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000494379533 409614071 /nfs/dbraw/zinc/61/40/71/409614071.db2.gz BAXFSIRIDSFGHF-NSHDSACASA-N 1 1 318.374 -1.194 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000659730671 409694479 /nfs/dbraw/zinc/69/44/79/409694479.db2.gz TYHTXHPNUFVDHL-RKDXNWHRSA-N 1 1 305.356 -2.654 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660073176 409701228 /nfs/dbraw/zinc/70/12/28/409701228.db2.gz BFCLFEXVYRXBRU-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660073176 409701236 /nfs/dbraw/zinc/70/12/36/409701236.db2.gz BFCLFEXVYRXBRU-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO Nc1n[nH]c(C2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000660573550 409701468 /nfs/dbraw/zinc/70/14/68/409701468.db2.gz IKJMPRUXVALEFZ-UHFFFAOYSA-N 1 1 307.358 -1.475 20 0 DAADMO C[C@@H]1C[NH+](CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)C[C@@H](C)O1 ZINC000660009428 409702683 /nfs/dbraw/zinc/70/26/83/409702683.db2.gz RZQSBRQFBFXLHY-JHJVBQTASA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1C[NH+](CCN2CCN3C(=O)C(=O)NC[C@H]3C2)C[C@@H](C)O1 ZINC000660009429 409703226 /nfs/dbraw/zinc/70/32/26/409703226.db2.gz RZQSBRQFBFXLHY-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CC(=O)N(CC[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000660609272 409703358 /nfs/dbraw/zinc/70/33/58/409703358.db2.gz QIIVVJZBCHXVPS-JTQLQIEISA-N 1 1 318.399 -1.154 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000660609272 409703364 /nfs/dbraw/zinc/70/33/64/409703364.db2.gz QIIVVJZBCHXVPS-JTQLQIEISA-N 1 1 318.399 -1.154 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660096389 409703621 /nfs/dbraw/zinc/70/36/21/409703621.db2.gz SQTFQFISMARRIG-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660096389 409703623 /nfs/dbraw/zinc/70/36/23/409703623.db2.gz SQTFQFISMARRIG-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO C[C@@H]1C[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H](C)C1O ZINC000661620171 409706756 /nfs/dbraw/zinc/70/67/56/409706756.db2.gz DGAJMTONECKPQJ-RKDXNWHRSA-N 1 1 324.381 -1.202 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661883163 409709554 /nfs/dbraw/zinc/70/95/54/409709554.db2.gz FSYQQFNZWKDDEY-FVCCEPFGSA-N 1 1 323.411 -1.246 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661883163 409709561 /nfs/dbraw/zinc/70/95/61/409709561.db2.gz FSYQQFNZWKDDEY-FVCCEPFGSA-N 1 1 323.411 -1.246 20 0 DAADMO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000661772977 409710539 /nfs/dbraw/zinc/71/05/39/409710539.db2.gz WVADXNPZOZAZRH-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000661772977 409710544 /nfs/dbraw/zinc/71/05/44/409710544.db2.gz WVADXNPZOZAZRH-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C1 ZINC000529739438 409648468 /nfs/dbraw/zinc/64/84/68/409648468.db2.gz MZHMXESIQHCIOR-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C1 ZINC000529739438 409648479 /nfs/dbraw/zinc/64/84/79/409648479.db2.gz MZHMXESIQHCIOR-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660167759 409652528 /nfs/dbraw/zinc/65/25/28/409652528.db2.gz MHQAMULWMWFBNW-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660167759 409652534 /nfs/dbraw/zinc/65/25/34/409652534.db2.gz MHQAMULWMWFBNW-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000654026888 409657414 /nfs/dbraw/zinc/65/74/14/409657414.db2.gz WXYSQTWKAMBIPK-NWDGAFQWSA-N 1 1 322.369 -1.088 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 ZINC000650055921 409659654 /nfs/dbraw/zinc/65/96/54/409659654.db2.gz CLWUSZRLPOWLEX-WDEREUQCSA-N 1 1 322.369 -1.301 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581437968 409663373 /nfs/dbraw/zinc/66/33/73/409663373.db2.gz CHBHYGBNIWXJTK-UHFFFAOYSA-N 1 1 302.360 -1.888 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000658753103 409664620 /nfs/dbraw/zinc/66/46/20/409664620.db2.gz SEFOQLUZRDCUMY-UTUOFQBUSA-N 1 1 313.398 -1.213 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405215044 409665987 /nfs/dbraw/zinc/66/59/87/409665987.db2.gz FRNDTEHAQUBGRF-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(N[C@@H]1CCc2nnnn2CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654597140 409666006 /nfs/dbraw/zinc/66/60/06/409666006.db2.gz RKYRWQUHDOIAPX-GRYCIOLGSA-N 1 1 321.385 -1.162 20 0 DAADMO Cc1nn(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)c(=O)n1C ZINC000654766753 409666094 /nfs/dbraw/zinc/66/60/94/409666094.db2.gz BUSMJQMKELIATK-UHFFFAOYSA-N 1 1 324.429 -1.014 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654570483 409666788 /nfs/dbraw/zinc/66/67/88/409666788.db2.gz YYJRFXPYRWNUSI-WDEREUQCSA-N 1 1 320.415 -1.662 20 0 DAADMO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ncnc2[nH]cnc21 ZINC000655093537 409669467 /nfs/dbraw/zinc/66/94/67/409669467.db2.gz PXOBWDKNNLCEML-UWVGGRQHSA-N 1 1 319.369 -1.078 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000655000426 409669590 /nfs/dbraw/zinc/66/95/90/409669590.db2.gz JQNUHJVQURQOSP-CYBMUJFWSA-N 1 1 303.326 -1.146 20 0 DAADMO Cc1nn(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(=O)n1C ZINC000655007902 409669733 /nfs/dbraw/zinc/66/97/33/409669733.db2.gz PXGKIMNHPZKQRU-QWRGUYRKSA-N 1 1 311.386 -1.196 20 0 DAADMO Cc1nn(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(=O)n1C ZINC000655007900 409670929 /nfs/dbraw/zinc/67/09/29/409670929.db2.gz PXGKIMNHPZKQRU-GHMZBOCLSA-N 1 1 311.386 -1.196 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000656999399 409677700 /nfs/dbraw/zinc/67/77/00/409677700.db2.gz NAEQDURACWIQNW-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000656999399 409677709 /nfs/dbraw/zinc/67/77/09/409677709.db2.gz NAEQDURACWIQNW-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H]1CC[N@@H+](C)C1 ZINC000658359727 409681908 /nfs/dbraw/zinc/68/19/08/409681908.db2.gz FGUFZWZAFGHULF-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659682218 409688997 /nfs/dbraw/zinc/68/89/97/409688997.db2.gz HRHKBCXWSKFLCN-LBPRGKRZSA-N 1 1 311.430 -1.264 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659704971 409689036 /nfs/dbraw/zinc/68/90/36/409689036.db2.gz UGWLTVYQFAETHN-VXGBXAGGSA-N 1 1 318.393 -1.031 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659704971 409689045 /nfs/dbraw/zinc/68/90/45/409689045.db2.gz UGWLTVYQFAETHN-VXGBXAGGSA-N 1 1 318.393 -1.031 20 0 DAADMO C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)S(N)(=O)=O ZINC000663404429 409725555 /nfs/dbraw/zinc/72/55/55/409725555.db2.gz FHOPAHLOBOEGMK-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@@H]1O ZINC000664464672 409732007 /nfs/dbraw/zinc/73/20/07/409732007.db2.gz VHDXHAYLRAJUSX-VWYCJHECSA-N 1 1 305.400 -1.120 20 0 DAADMO C[N@H+]1CCCN(C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665097982 409736656 /nfs/dbraw/zinc/73/66/56/409736656.db2.gz BIPVFENVWSGWAJ-UHFFFAOYSA-N 1 1 308.404 -1.361 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000339225567 409754600 /nfs/dbraw/zinc/75/46/00/409754600.db2.gz YMLKGBGWHYHGDG-UHFFFAOYSA-N 1 1 315.399 -0.638 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cncc(OC)n2)C1 ZINC000563252107 409772994 /nfs/dbraw/zinc/77/29/94/409772994.db2.gz ZVQCAHPWMIMKRJ-JTQLQIEISA-N 1 1 323.353 -0.739 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578464 409715374 /nfs/dbraw/zinc/71/53/74/409715374.db2.gz SWQVIFQQOWZYOS-GDNZZTSVSA-N 1 1 315.395 -1.675 20 0 DAADMO O=C(NC[C@@H]1CCCN(C(=O)C2(O)CNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000662760962 409717198 /nfs/dbraw/zinc/71/71/98/409717198.db2.gz JMDBBWNCSHDNID-RYUDHWBXSA-N 1 1 310.398 -1.573 20 0 DAADMO O=C(NC[C@H]1CCCN(C(=O)C2(O)CNC2)C1)[C@H]1CCC[NH2+]1 ZINC000662760963 409718122 /nfs/dbraw/zinc/71/81/22/409718122.db2.gz JMDBBWNCSHDNID-VXGBXAGGSA-N 1 1 310.398 -1.573 20 0 DAADMO CN1CCN(c2ncccc2CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757249 409718188 /nfs/dbraw/zinc/71/81/88/409718188.db2.gz LRFTXMYUEGZYDQ-UHFFFAOYSA-N 1 1 305.382 -1.216 20 0 DAADMO Cc1c[nH+]c(NCc2nnn(C)n2)nc1NCc1nnn(C)n1 ZINC000362851873 409789834 /nfs/dbraw/zinc/78/98/34/409789834.db2.gz HHFBPEJBSWCXPP-UHFFFAOYSA-N 1 1 316.333 -0.944 20 0 DAADMO COc1cncc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000570687935 409794695 /nfs/dbraw/zinc/79/46/95/409794695.db2.gz ORWPHONGYQSPDP-UHFFFAOYSA-N 1 1 323.353 -0.738 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000348768284 409798203 /nfs/dbraw/zinc/79/82/03/409798203.db2.gz ZJZBADWPDMVMPV-UHFFFAOYSA-N 1 1 323.353 -0.764 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000348248859 409798804 /nfs/dbraw/zinc/79/88/04/409798804.db2.gz VSRRDCWUDOPCKW-NSHDSACASA-N 1 1 309.370 -0.726 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000557444715 409801141 /nfs/dbraw/zinc/80/11/41/409801141.db2.gz VGUIOJWIWUWYDZ-UHFFFAOYSA-N 1 1 309.374 -1.028 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1C(F)(F)F ZINC001193684174 782014037 /nfs/dbraw/zinc/01/40/37/782014037.db2.gz ZOXHBNZUMNHXKI-CNUIFLNQSA-N 1 1 319.291 -1.428 20 0 DAADMO CC(=O)Nc1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001193727120 782014055 /nfs/dbraw/zinc/01/40/55/782014055.db2.gz UINHQBPXBFWAMW-SDDRHHMPSA-N 1 1 305.342 -1.827 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193786050 782014853 /nfs/dbraw/zinc/01/48/53/782014853.db2.gz DAQAZUXXGPYAMT-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788181 782015376 /nfs/dbraw/zinc/01/53/76/782015376.db2.gz XRFCNHJRGGIROT-UWVGGRQHSA-N 1 1 320.415 -1.716 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193786048 782015429 /nfs/dbraw/zinc/01/54/29/782015429.db2.gz DAQAZUXXGPYAMT-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CN(CCF)C[C@H]1O ZINC001193756373 782014609 /nfs/dbraw/zinc/01/46/09/782014609.db2.gz PYPIMQWBTFJIGD-FRRDWIJNSA-N 1 1 313.377 -1.056 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193778755 782014635 /nfs/dbraw/zinc/01/46/35/782014635.db2.gz YOFXCBNNADSQQK-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193778755 782014639 /nfs/dbraw/zinc/01/46/39/782014639.db2.gz YOFXCBNNADSQQK-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193929546 782017292 /nfs/dbraw/zinc/01/72/92/782017292.db2.gz ILJQRPIEFCMUFF-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890420 782017436 /nfs/dbraw/zinc/01/74/36/782017436.db2.gz XCWDTEBYHHNWMO-ZJUUUORDSA-N 1 1 323.357 -1.606 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890305 782018199 /nfs/dbraw/zinc/01/81/99/782018199.db2.gz WAIBIAPSPGQSPP-JTQLQIEISA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890305 782018204 /nfs/dbraw/zinc/01/82/04/782018204.db2.gz WAIBIAPSPGQSPP-JTQLQIEISA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821657 782018481 /nfs/dbraw/zinc/01/84/81/782018481.db2.gz OQPRZJBLWRVCOP-CYZMBNFOSA-N 1 1 312.414 -1.234 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193865834 782018601 /nfs/dbraw/zinc/01/86/01/782018601.db2.gz RVQHCMIGDLKRPW-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001193929453 782018688 /nfs/dbraw/zinc/01/86/88/782018688.db2.gz GWHQTEZHBHEEET-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821669 782018979 /nfs/dbraw/zinc/01/89/79/782018979.db2.gz PERPLDORYMQFKA-CHWSQXEVSA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875324 782019714 /nfs/dbraw/zinc/01/97/14/782019714.db2.gz OHNZKJGPVIKZLC-RAIGVLPGSA-N 1 1 324.381 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001193930069 782021082 /nfs/dbraw/zinc/02/10/82/782021082.db2.gz SHMBELQIHNTLGX-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001193930069 782021086 /nfs/dbraw/zinc/02/10/86/782021086.db2.gz SHMBELQIHNTLGX-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961497 782021691 /nfs/dbraw/zinc/02/16/91/782021691.db2.gz SCCFZDVWVXFNMQ-IVZWLZJFSA-N 1 1 314.342 -1.794 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001193954590 782023105 /nfs/dbraw/zinc/02/31/05/782023105.db2.gz XPTXTHYFABCHRF-GHMZBOCLSA-N 1 1 312.326 -2.034 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961519 782022394 /nfs/dbraw/zinc/02/23/94/782022394.db2.gz SXODHOSFOBTYGD-SYQHCUMBSA-N 1 1 317.430 -1.259 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941106 782022938 /nfs/dbraw/zinc/02/29/38/782022938.db2.gz MHTULSXDYYRCEU-VXGBXAGGSA-N 1 1 323.397 -1.365 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193914448 782023065 /nfs/dbraw/zinc/02/30/65/782023065.db2.gz KPUQCGCMALOJAG-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000674133670 545867993 /nfs/dbraw/zinc/86/79/93/545867993.db2.gz WPVXNTOIGKCAOD-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO COC[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674764807 545869459 /nfs/dbraw/zinc/86/94/59/545869459.db2.gz LIDQSTAKWXLTHC-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000680831125 545883096 /nfs/dbraw/zinc/88/30/96/545883096.db2.gz LCYWNFOTQLWAPZ-CYBMUJFWSA-N 1 1 310.358 -1.183 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000681113609 545884711 /nfs/dbraw/zinc/88/47/11/545884711.db2.gz CUTMRARLBIVCQH-UHFFFAOYSA-N 1 1 324.447 -1.072 20 0 DAADMO CC1(C)CN(C(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000682007875 545886535 /nfs/dbraw/zinc/88/65/35/545886535.db2.gz OBTWUURAJRUAPL-UHFFFAOYSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342781 545893135 /nfs/dbraw/zinc/89/31/35/545893135.db2.gz JFTNWXDMADTHHE-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685340980 545893438 /nfs/dbraw/zinc/89/34/38/545893438.db2.gz WZVPXGIRCOLNNH-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340980 545893440 /nfs/dbraw/zinc/89/34/40/545893440.db2.gz WZVPXGIRCOLNNH-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342781 545893140 /nfs/dbraw/zinc/89/31/40/545893140.db2.gz JFTNWXDMADTHHE-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340975 545893392 /nfs/dbraw/zinc/89/33/92/545893392.db2.gz WZVPXGIRCOLNNH-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340975 545893398 /nfs/dbraw/zinc/89/33/98/545893398.db2.gz WZVPXGIRCOLNNH-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(C)(C)c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001194013826 782023656 /nfs/dbraw/zinc/02/36/56/782023656.db2.gz NXIRCHIADNDVDC-DCAQKATOSA-N 1 1 305.386 -1.093 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060414 782026192 /nfs/dbraw/zinc/02/61/92/782026192.db2.gz LUSOYZIHFIQQFY-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060414 782026194 /nfs/dbraw/zinc/02/61/94/782026194.db2.gz LUSOYZIHFIQQFY-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001194025615 782026213 /nfs/dbraw/zinc/02/62/13/782026213.db2.gz OEVNBXAGBOXGOB-AVGNSLFASA-N 1 1 304.354 -1.588 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992462 782026488 /nfs/dbraw/zinc/02/64/88/782026488.db2.gz OSRMMPCOMCXCCW-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992462 782026496 /nfs/dbraw/zinc/02/64/96/782026496.db2.gz OSRMMPCOMCXCCW-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO COC[C@@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001273668616 782027091 /nfs/dbraw/zinc/02/70/91/782027091.db2.gz FMRUKLGZTZTUAB-UWVGGRQHSA-N 1 1 301.343 -2.171 20 0 DAADMO COC(=O)c1cc(F)cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001194151927 782028340 /nfs/dbraw/zinc/02/83/40/782028340.db2.gz WCMOIHPVRLDJPN-GRYCIOLGSA-N 1 1 323.328 -1.255 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001194095805 782028993 /nfs/dbraw/zinc/02/89/93/782028993.db2.gz RDGSAXKRDXQRSG-UMSGYPCISA-N 1 1 303.403 -1.505 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089298 782029178 /nfs/dbraw/zinc/02/91/78/782029178.db2.gz DDJXLTSBOSJFNP-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194257082 782032030 /nfs/dbraw/zinc/03/20/30/782032030.db2.gz WBXMIYOVJADHDT-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001194255046 782032450 /nfs/dbraw/zinc/03/24/50/782032450.db2.gz FJRFEDMPXFMEDK-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001194255046 782032461 /nfs/dbraw/zinc/03/24/61/782032461.db2.gz FJRFEDMPXFMEDK-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)CC1 ZINC001194251582 782032520 /nfs/dbraw/zinc/03/25/20/782032520.db2.gz QIWCRIPCEGTYHM-YNEHKIRRSA-N 1 1 316.398 -1.028 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001194255047 782032750 /nfs/dbraw/zinc/03/27/50/782032750.db2.gz FJRFEDMPXFMEDK-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001194255047 782032758 /nfs/dbraw/zinc/03/27/58/782032758.db2.gz FJRFEDMPXFMEDK-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194257083 782032899 /nfs/dbraw/zinc/03/28/99/782032899.db2.gz WBXMIYOVJADHDT-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255453 782032959 /nfs/dbraw/zinc/03/29/59/782032959.db2.gz HMPLEINZLARRNM-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194307398 782033060 /nfs/dbraw/zinc/03/30/60/782033060.db2.gz ZQHMOSWXGFMCQP-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194307398 782033065 /nfs/dbraw/zinc/03/30/65/782033065.db2.gz ZQHMOSWXGFMCQP-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194257101 782033526 /nfs/dbraw/zinc/03/35/26/782033526.db2.gz WMCCBKHAJFDAOO-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329224 782034255 /nfs/dbraw/zinc/03/42/55/782034255.db2.gz MJFFQEOBRACGHK-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194328826 782034529 /nfs/dbraw/zinc/03/45/29/782034529.db2.gz DTDSFVYHSNARPM-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001194321008 782035540 /nfs/dbraw/zinc/03/55/40/782035540.db2.gz COARCBGFAILHON-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001194321008 782035550 /nfs/dbraw/zinc/03/55/50/782035550.db2.gz COARCBGFAILHON-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001194376155 782035995 /nfs/dbraw/zinc/03/59/95/782035995.db2.gz RNOJQHUNMLFOFV-ZWKOPEQDSA-N 1 1 312.370 -1.246 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329144 782036159 /nfs/dbraw/zinc/03/61/59/782036159.db2.gz JVLPRRDMWXVQIW-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329144 782036168 /nfs/dbraw/zinc/03/61/68/782036168.db2.gz JVLPRRDMWXVQIW-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001194399487 782036589 /nfs/dbraw/zinc/03/65/89/782036589.db2.gz GLWVWRZXSYVPDZ-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194399424 782036718 /nfs/dbraw/zinc/03/67/18/782036718.db2.gz CCORTGXCVHSUAB-CHWSQXEVSA-N 1 1 324.381 -1.033 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237754 782030394 /nfs/dbraw/zinc/03/03/94/782030394.db2.gz CKDGPZGBLBTPTI-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237752 782030504 /nfs/dbraw/zinc/03/05/04/782030504.db2.gz CKDGPZGBLBTPTI-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001194210298 782030597 /nfs/dbraw/zinc/03/05/97/782030597.db2.gz ZEFCNEGWPKUDKU-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001194210298 782030605 /nfs/dbraw/zinc/03/06/05/782030605.db2.gz ZEFCNEGWPKUDKU-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194449620 782037385 /nfs/dbraw/zinc/03/73/85/782037385.db2.gz VXDSOEDHZQBKOH-JTQLQIEISA-N 1 1 308.342 -1.389 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194449620 782037391 /nfs/dbraw/zinc/03/73/91/782037391.db2.gz VXDSOEDHZQBKOH-JTQLQIEISA-N 1 1 308.342 -1.389 20 0 DAADMO O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)N1CCOCC1 ZINC000328958675 262500234 /nfs/dbraw/zinc/50/02/34/262500234.db2.gz PSKDKAMQWPVLDO-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO Cn1cnn(CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1=O ZINC000333138861 262519963 /nfs/dbraw/zinc/51/99/63/262519963.db2.gz YHNZXNZUGVQKCY-UHFFFAOYSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000347967492 262548338 /nfs/dbraw/zinc/54/83/38/262548338.db2.gz NLSWITKPEOAGNL-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353103573 262562289 /nfs/dbraw/zinc/56/22/89/262562289.db2.gz ZJEAHLJOKDWMSS-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358405969 262582447 /nfs/dbraw/zinc/58/24/47/262582447.db2.gz FGEPEYDGIHOPIY-VXGBXAGGSA-N 1 1 320.411 -1.021 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000358577205 262584982 /nfs/dbraw/zinc/58/49/82/262584982.db2.gz SOUKVHKNCQEVIZ-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408030633 262616715 /nfs/dbraw/zinc/61/67/15/262616715.db2.gz GXPVGEJSHBSBFU-NEPJUHHUSA-N 1 1 316.427 -1.344 20 0 DAADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000429681081 262626777 /nfs/dbraw/zinc/62/67/77/262626777.db2.gz JSTUYRSGQLABDH-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430670987 262627667 /nfs/dbraw/zinc/62/76/67/262627667.db2.gz WWCAIRPFMLWEPS-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO COC(=O)CNC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441228650 262634913 /nfs/dbraw/zinc/63/49/13/262634913.db2.gz JFRSOTLLRDCEEH-LBPRGKRZSA-N 1 1 302.327 -1.479 20 0 DAADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CN1CCN(C)C(=O)C1 ZINC000444009905 262637376 /nfs/dbraw/zinc/63/73/76/262637376.db2.gz NPPFJMQYRJNUOK-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+](CCNC(=O)N1CCN(CC(N)=O)C(=O)C1)C1CC1 ZINC000458202968 262643267 /nfs/dbraw/zinc/64/32/67/262643267.db2.gz WHKSXEGDXXIBMO-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1C(=O)CCC1=O ZINC000520766233 262659593 /nfs/dbraw/zinc/65/95/93/262659593.db2.gz OSGJMYZUDBIFKG-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)CCCO)C[NH+]1CCOCC1 ZINC000357985727 263221580 /nfs/dbraw/zinc/22/15/80/263221580.db2.gz BUICOGYSIAIYTB-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CCn1ncn(C)c1=O ZINC000355749538 263222214 /nfs/dbraw/zinc/22/22/14/263222214.db2.gz JPVCDYFTYZOEQX-UHFFFAOYSA-N 1 1 312.418 -1.028 20 0 DAADMO CN(CCCNC(=O)CCn1ncn(C)c1=O)CC[NH+](C)C ZINC000355749538 263222215 /nfs/dbraw/zinc/22/22/15/263222215.db2.gz JPVCDYFTYZOEQX-UHFFFAOYSA-N 1 1 312.418 -1.028 20 0 DAADMO CN(CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC000377472983 263222254 /nfs/dbraw/zinc/22/22/54/263222254.db2.gz PVDZSDUHWDUSSP-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286302 263223583 /nfs/dbraw/zinc/22/35/83/263223583.db2.gz UIOMEPDQJJBBJG-VHSXEESVSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000442286302 263223585 /nfs/dbraw/zinc/22/35/85/263223585.db2.gz UIOMEPDQJJBBJG-VHSXEESVSA-N 1 1 322.369 -1.142 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000342778887 263224672 /nfs/dbraw/zinc/22/46/72/263224672.db2.gz KMCZNVJCSKKTHM-UHFFFAOYSA-N 1 1 315.399 -1.091 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000407977837 263224678 /nfs/dbraw/zinc/22/46/78/263224678.db2.gz UOXQFTQBGODAJO-CYBMUJFWSA-N 1 1 311.430 -1.488 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)N1CCOCC1 ZINC000419683314 263224884 /nfs/dbraw/zinc/22/48/84/263224884.db2.gz KKCJJKKYHMCFQR-NXEZZACHSA-N 1 1 322.356 -1.078 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362647642 263224962 /nfs/dbraw/zinc/22/49/62/263224962.db2.gz DKUCIOYTPHULOY-LLVKDONJSA-N 1 1 317.411 -1.156 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372154787 263225356 /nfs/dbraw/zinc/22/53/56/263225356.db2.gz BLJOCKXLFCKNFN-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372154787 263225358 /nfs/dbraw/zinc/22/53/58/263225358.db2.gz BLJOCKXLFCKNFN-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000354195723 263225589 /nfs/dbraw/zinc/22/55/89/263225589.db2.gz WYZZCLNTIVRMNM-SNVBAGLBSA-N 1 1 313.358 -1.490 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCO1 ZINC000359320524 263227774 /nfs/dbraw/zinc/22/77/74/263227774.db2.gz QOIARAKYNSNXHW-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[C@@H](OC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424038719 263227852 /nfs/dbraw/zinc/22/78/52/263227852.db2.gz ISZLQJKIZILPLP-LLVKDONJSA-N 1 1 305.400 -1.143 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000515308527 263229110 /nfs/dbraw/zinc/22/91/10/263229110.db2.gz OSYIAHUCTJPWTH-ZDUSSCGKSA-N 1 1 301.343 -1.322 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000330960304 263230880 /nfs/dbraw/zinc/23/08/80/263230880.db2.gz OOHVKGGUSZZXKE-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000330960304 263230881 /nfs/dbraw/zinc/23/08/81/263230881.db2.gz OOHVKGGUSZZXKE-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000347726438 263231529 /nfs/dbraw/zinc/23/15/29/263231529.db2.gz GNJGTOGVHOKVHA-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362841992 263232129 /nfs/dbraw/zinc/23/21/29/263232129.db2.gz XUFFFLBSQVBSTA-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000408235266 263232862 /nfs/dbraw/zinc/23/28/62/263232862.db2.gz JLHVNHVKUFILPA-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000408235266 263232865 /nfs/dbraw/zinc/23/28/65/263232865.db2.gz JLHVNHVKUFILPA-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000333433798 263232935 /nfs/dbraw/zinc/23/29/35/263232935.db2.gz IDRVBQOHRIQQOK-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000344760923 263233854 /nfs/dbraw/zinc/23/38/54/263233854.db2.gz BRGAEHOMGBMXIO-SECBINFHSA-N 1 1 301.372 -1.259 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1C ZINC000419454723 263234398 /nfs/dbraw/zinc/23/43/98/263234398.db2.gz UXCAVQKCSAZAKD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1C ZINC000419454723 263234400 /nfs/dbraw/zinc/23/44/00/263234400.db2.gz UXCAVQKCSAZAKD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643577 263234848 /nfs/dbraw/zinc/23/48/48/263234848.db2.gz XFNFNPGJJBBQHJ-NSHDSACASA-N 1 1 306.432 -1.287 20 0 DAADMO CO[C@H]1C[C@@H](CN(C)C(=O)CN2CCN(C)C(=O)C2)[N@@H+](C)C1 ZINC000329074930 263235370 /nfs/dbraw/zinc/23/53/70/263235370.db2.gz BQNRIFMLJVNIFU-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C(=O)C(=O)N1CCN(C2CCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331403247 263235601 /nfs/dbraw/zinc/23/56/01/263235601.db2.gz MTJGACNIZLBZRE-KBPBESRZSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1c2[nH]c(C[NH2+][C@@H](CO)[C@H]3CCCO3)nc2c(=O)n(C)c1=O ZINC000447911155 263235939 /nfs/dbraw/zinc/23/59/39/263235939.db2.gz DRMXMUDVZRQKIA-DTWKUNHWSA-N 1 1 323.353 -1.410 20 0 DAADMO O=C([C@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424023171 263236516 /nfs/dbraw/zinc/23/65/16/263236516.db2.gz FFNJSWBHHWYILZ-JTQLQIEISA-N 1 1 303.384 -1.531 20 0 DAADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738841 263236636 /nfs/dbraw/zinc/23/66/36/263236636.db2.gz SZYFHAKDRVKQPQ-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738841 263236638 /nfs/dbraw/zinc/23/66/38/263236638.db2.gz SZYFHAKDRVKQPQ-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000328911433 263236747 /nfs/dbraw/zinc/23/67/47/263236747.db2.gz GIGIMDYNBXLXQY-ZJUUUORDSA-N 1 1 301.372 -1.091 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000328911433 263236748 /nfs/dbraw/zinc/23/67/48/263236748.db2.gz GIGIMDYNBXLXQY-ZJUUUORDSA-N 1 1 301.372 -1.091 20 0 DAADMO CCN(CCO)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000340786742 263238091 /nfs/dbraw/zinc/23/80/91/263238091.db2.gz ZLIZCQFKJYLMAO-CYBMUJFWSA-N 1 1 314.430 -1.173 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000378054259 263238619 /nfs/dbraw/zinc/23/86/19/263238619.db2.gz GHXURPZCHDGLAJ-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000329173976 263239877 /nfs/dbraw/zinc/23/98/77/263239877.db2.gz LBGYJWTVWUJFTI-MNOVXSKESA-N 1 1 310.354 -1.188 20 0 DAADMO O=C(CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)N1CCOCC1 ZINC000376798143 263240755 /nfs/dbraw/zinc/24/07/55/263240755.db2.gz DAPHFBZWOHKOQV-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1=O ZINC000352386707 263241506 /nfs/dbraw/zinc/24/15/06/263241506.db2.gz FKEJXEWDCKVLKP-LLVKDONJSA-N 1 1 324.385 -1.715 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000329173978 263242162 /nfs/dbraw/zinc/24/21/62/263242162.db2.gz LBGYJWTVWUJFTI-WDEREUQCSA-N 1 1 310.354 -1.188 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCOCCO)C1 ZINC000343899336 263243460 /nfs/dbraw/zinc/24/34/60/263243460.db2.gz ANDZECQMGRORLM-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COC(=O)CC[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)OC ZINC000347934281 263243481 /nfs/dbraw/zinc/24/34/81/263243481.db2.gz NJCKHGIYOCCCQG-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)OC ZINC000347934281 263243482 /nfs/dbraw/zinc/24/34/82/263243482.db2.gz NJCKHGIYOCCCQG-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344984778 263243510 /nfs/dbraw/zinc/24/35/10/263243510.db2.gz UKUINLOMDMHSBP-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1=O ZINC000435361118 263243558 /nfs/dbraw/zinc/24/35/58/263243558.db2.gz JLVHWBOBKWKBHF-SNVBAGLBSA-N 1 1 323.353 -1.445 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000346646115 263243822 /nfs/dbraw/zinc/24/38/22/263243822.db2.gz ACOTUJACIRTYEW-GFCCVEGCSA-N 1 1 310.398 -1.028 20 0 DAADMO COCCn1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358220123 263243964 /nfs/dbraw/zinc/24/39/64/263243964.db2.gz YWIOYHPQMIMUPY-LBPRGKRZSA-N 1 1 318.399 -1.126 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cn(C)nn2)CC1=O ZINC000425313229 263244178 /nfs/dbraw/zinc/24/41/78/263244178.db2.gz IAOUZIYCICSSQB-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000262022850 263244829 /nfs/dbraw/zinc/24/48/29/263244829.db2.gz GIBVIMCAYSPNLD-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000262022850 263244831 /nfs/dbraw/zinc/24/48/31/263244831.db2.gz GIBVIMCAYSPNLD-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO NC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362648177 263245031 /nfs/dbraw/zinc/24/50/31/263245031.db2.gz HNHHDDKTYLKYNX-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(c2cnccn2)CC1 ZINC000488056781 263245114 /nfs/dbraw/zinc/24/51/14/263245114.db2.gz ZMAJJFGNILHNKM-QWHCGFSZSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(c2cnccn2)CC1 ZINC000488056781 263245117 /nfs/dbraw/zinc/24/51/17/263245117.db2.gz ZMAJJFGNILHNKM-QWHCGFSZSA-N 1 1 321.381 -1.447 20 0 DAADMO CC(=O)NCCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000355792921 263245557 /nfs/dbraw/zinc/24/55/57/263245557.db2.gz AIXJYKROQKWKTF-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CC(C)[N@@H+](CCO)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000356139280 263246845 /nfs/dbraw/zinc/24/68/45/263246845.db2.gz LEJNPBJUCBAOLJ-UHFFFAOYSA-N 1 1 314.430 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)C[C@H](C)[N@H+]1CCO ZINC000459809627 263248990 /nfs/dbraw/zinc/24/89/90/263248990.db2.gz GBIIFTOEZCITSQ-FRRDWIJNSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)C[C@H](C)[N@@H+]1CCO ZINC000459809627 263248992 /nfs/dbraw/zinc/24/89/92/263248992.db2.gz GBIIFTOEZCITSQ-FRRDWIJNSA-N 1 1 313.398 -1.117 20 0 DAADMO CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@@H](C)O ZINC000182212221 263249462 /nfs/dbraw/zinc/24/94/62/263249462.db2.gz JSXHUSCNBBESHK-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331642338 263249698 /nfs/dbraw/zinc/24/96/98/263249698.db2.gz IUWCHYHTEBRLNW-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331642338 263249701 /nfs/dbraw/zinc/24/97/01/263249701.db2.gz IUWCHYHTEBRLNW-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CCN(C)C(=O)CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000361688709 263250368 /nfs/dbraw/zinc/25/03/68/263250368.db2.gz BTEMUHJLICXIEM-CQSZACIVSA-N 1 1 316.402 -1.153 20 0 DAADMO CN1CCN(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000328919234 263252014 /nfs/dbraw/zinc/25/20/14/263252014.db2.gz APWUTTOZTNCJEG-CHWSQXEVSA-N 1 1 310.398 -1.308 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331199920 263255836 /nfs/dbraw/zinc/25/58/36/263255836.db2.gz WEZDDFIERHTTAB-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000354521384 263256333 /nfs/dbraw/zinc/25/63/33/263256333.db2.gz HYYBTWCIMORBDP-ZJUUUORDSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](CO)O1 ZINC000410981716 263257450 /nfs/dbraw/zinc/25/74/50/263257450.db2.gz OFBRYBKEJODCKC-WUHRBBMRSA-N 1 1 311.382 -1.243 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC000329034689 263257812 /nfs/dbraw/zinc/25/78/12/263257812.db2.gz QVBSESXJCFINNQ-GHMZBOCLSA-N 1 1 308.338 -1.120 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 ZINC000408297037 263257870 /nfs/dbraw/zinc/25/78/70/263257870.db2.gz HPBCBRDKBWDKLS-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCSC1 ZINC000346760282 263259159 /nfs/dbraw/zinc/25/91/59/263259159.db2.gz CIPMWAAEHLFRGB-MNOVXSKESA-N 1 1 300.428 -1.030 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000408184713 263259347 /nfs/dbraw/zinc/25/93/47/263259347.db2.gz ZIFRRJIGPQIFSS-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278920823 263261312 /nfs/dbraw/zinc/26/13/12/263261312.db2.gz WPORTLOQPJPXTH-TVYUQYBPSA-N 1 1 306.318 -1.319 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487093640 263261348 /nfs/dbraw/zinc/26/13/48/263261348.db2.gz CIPIRYZOIFOINR-MXWKQRLJSA-N 1 1 318.395 -1.017 20 0 DAADMO O=C(C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000328963577 263261593 /nfs/dbraw/zinc/26/15/93/263261593.db2.gz RHKOVFKXMYOLLZ-AWEZNQCLSA-N 1 1 322.369 -1.096 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000328963577 263261594 /nfs/dbraw/zinc/26/15/94/263261594.db2.gz RHKOVFKXMYOLLZ-AWEZNQCLSA-N 1 1 322.369 -1.096 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C)S(N)(=O)=O ZINC000359426693 263261625 /nfs/dbraw/zinc/26/16/25/263261625.db2.gz KHILQFBUYYUERI-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000349905323 263262241 /nfs/dbraw/zinc/26/22/41/263262241.db2.gz MAFVAECQAPNRSC-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1=O ZINC000420163691 263262263 /nfs/dbraw/zinc/26/22/63/263262263.db2.gz FPBBZDMFVMYWSY-QMMMGPOBSA-N 1 1 306.313 -1.224 20 0 DAADMO Cn1ccnc1C[NH+]1CCC(C(=O)NCC(=O)NCCO)CC1 ZINC000370342966 263262803 /nfs/dbraw/zinc/26/28/03/263262803.db2.gz XVXXCLUVBYOUHL-UHFFFAOYSA-N 1 1 323.397 -1.143 20 0 DAADMO CCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1=O ZINC000420163690 263262908 /nfs/dbraw/zinc/26/29/08/263262908.db2.gz FPBBZDMFVMYWSY-MRVPVSSYSA-N 1 1 306.313 -1.224 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)N2CC([NH+](C)C)C2)cn1 ZINC000343972388 263263027 /nfs/dbraw/zinc/26/30/27/263263027.db2.gz DVWZUQLFSRTJDG-UHFFFAOYSA-N 1 1 302.356 -1.009 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000354511003 263263205 /nfs/dbraw/zinc/26/32/05/263263205.db2.gz OUWKZVXSPQFJIX-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000514830229 263264003 /nfs/dbraw/zinc/26/40/03/263264003.db2.gz XMDBQFACUQLDFM-HBNTYKKESA-N 1 1 303.359 -1.478 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000514830229 263264005 /nfs/dbraw/zinc/26/40/05/263264005.db2.gz XMDBQFACUQLDFM-HBNTYKKESA-N 1 1 303.359 -1.478 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000530291865 263265382 /nfs/dbraw/zinc/26/53/82/263265382.db2.gz ZYEDAYABHFMOEL-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000346182765 263265810 /nfs/dbraw/zinc/26/58/10/263265810.db2.gz DIIMIYCPOFKREO-NSHDSACASA-N 1 1 315.370 -1.467 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413895182 263267092 /nfs/dbraw/zinc/26/70/92/263267092.db2.gz DQLAIXWEOKGYMW-JTQLQIEISA-N 1 1 321.399 -1.511 20 0 DAADMO COC(=O)CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000330582267 263267572 /nfs/dbraw/zinc/26/75/72/263267572.db2.gz UYDVPGCETUYHIS-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000330582267 263267573 /nfs/dbraw/zinc/26/75/73/263267573.db2.gz UYDVPGCETUYHIS-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345523287 263269412 /nfs/dbraw/zinc/26/94/12/263269412.db2.gz URERWXZDNSAVLD-QWRGUYRKSA-N 1 1 302.375 -1.511 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000351505071 263271994 /nfs/dbraw/zinc/27/19/94/263271994.db2.gz LOENNUDXIHEWJB-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000351505071 263271996 /nfs/dbraw/zinc/27/19/96/263271996.db2.gz LOENNUDXIHEWJB-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000330368478 263272234 /nfs/dbraw/zinc/27/22/34/263272234.db2.gz QCCGWZZBALRNEW-STQMWFEESA-N 1 1 321.443 -1.307 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452384486 263272857 /nfs/dbraw/zinc/27/28/57/263272857.db2.gz RPXMIYDOKNYOOE-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000352668718 263272871 /nfs/dbraw/zinc/27/28/71/263272871.db2.gz UNNRVAPJWXFCGW-DTWKUNHWSA-N 1 1 310.354 -1.306 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000352668718 263272872 /nfs/dbraw/zinc/27/28/72/263272872.db2.gz UNNRVAPJWXFCGW-DTWKUNHWSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000173926714 263273229 /nfs/dbraw/zinc/27/32/29/263273229.db2.gz RQMZVCIJCNHUDA-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000173926714 263273233 /nfs/dbraw/zinc/27/32/33/263273233.db2.gz RQMZVCIJCNHUDA-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000343290569 263273443 /nfs/dbraw/zinc/27/34/43/263273443.db2.gz WWCVCEYKFPSGQB-SNVBAGLBSA-N 1 1 318.399 -1.914 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCNC(=O)c1cnccn1 ZINC000347168802 263273494 /nfs/dbraw/zinc/27/34/94/263273494.db2.gz SANPUOXAWWEDMK-UHFFFAOYSA-N 1 1 324.385 -1.180 20 0 DAADMO COCCn1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cn1 ZINC000528054043 263274759 /nfs/dbraw/zinc/27/47/59/263274759.db2.gz MDCWCZHSWVXVII-JTQLQIEISA-N 1 1 304.372 -1.204 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ncn(C)n2)CC1=O ZINC000425314957 263274967 /nfs/dbraw/zinc/27/49/67/263274967.db2.gz JYJMAFIRPXHOMW-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000407995062 263275016 /nfs/dbraw/zinc/27/50/16/263275016.db2.gz FYUONZAYZKWLHQ-SNVBAGLBSA-N 1 1 322.431 -1.656 20 0 DAADMO COC(=O)N(C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000492870238 263275099 /nfs/dbraw/zinc/27/50/99/263275099.db2.gz ZYSXAVQEYRLVDB-CYBMUJFWSA-N 1 1 303.359 -1.116 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000330646353 263276217 /nfs/dbraw/zinc/27/62/17/263276217.db2.gz ZGFYUKVJLGMQBB-STQMWFEESA-N 1 1 321.443 -1.307 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330413219 263276373 /nfs/dbraw/zinc/27/63/73/263276373.db2.gz LTUDHPPXSCRZDP-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330413219 263276376 /nfs/dbraw/zinc/27/63/76/263276376.db2.gz LTUDHPPXSCRZDP-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000420163156 263277331 /nfs/dbraw/zinc/27/73/31/263277331.db2.gz DUOAOBOGGKTACX-QMMMGPOBSA-N 1 1 323.296 -1.513 20 0 DAADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419417089 263278565 /nfs/dbraw/zinc/27/85/65/263278565.db2.gz WPGYYAVIWRZSKK-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCO[C@@H](CO)C1 ZINC000332577816 263278812 /nfs/dbraw/zinc/27/88/12/263278812.db2.gz DJMBBMORPGYQIW-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCO[C@@H](CO)C1 ZINC000332577816 263278813 /nfs/dbraw/zinc/27/88/13/263278813.db2.gz DJMBBMORPGYQIW-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC000347802003 263278890 /nfs/dbraw/zinc/27/88/90/263278890.db2.gz CMWMOSPDJKWYBU-NSHDSACASA-N 1 1 309.432 -1.009 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000494690146 263278991 /nfs/dbraw/zinc/27/89/91/263278991.db2.gz ZUIPXBMHCVYKLK-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000419358943 263279570 /nfs/dbraw/zinc/27/95/70/263279570.db2.gz QCGZUINDYYYGIS-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000419358943 263279572 /nfs/dbraw/zinc/27/95/72/263279572.db2.gz QCGZUINDYYYGIS-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CS(=O)(=O)NCC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000352250343 263279728 /nfs/dbraw/zinc/27/97/28/263279728.db2.gz GXVXTFUCCHGGQY-UHFFFAOYSA-N 1 1 318.399 -1.201 20 0 DAADMO C[C@H](CO)[N@H+](CCNS(=O)(=O)c1cnn(C)c1)C[C@H](C)O ZINC000443348478 263281089 /nfs/dbraw/zinc/28/10/89/263281089.db2.gz RJQZSILGQTXSGV-MNOVXSKESA-N 1 1 320.415 -1.238 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000331395700 263281617 /nfs/dbraw/zinc/28/16/17/263281617.db2.gz NRPXGMARNWHYAL-WXHSDQCUSA-N 1 1 311.382 -1.195 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000186604950 263281808 /nfs/dbraw/zinc/28/18/08/263281808.db2.gz KXPZZVNHCJKKMO-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330368475 263282515 /nfs/dbraw/zinc/28/25/15/263282515.db2.gz QCCGWZZBALRNEW-CHWSQXEVSA-N 1 1 321.443 -1.307 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000331920252 263283377 /nfs/dbraw/zinc/28/33/77/263283377.db2.gz GQYISQGMXYFWDD-UHFFFAOYSA-N 1 1 308.404 -1.443 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000359272249 263284411 /nfs/dbraw/zinc/28/44/11/263284411.db2.gz LZZGHJWUEAQOAS-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000347108888 263285963 /nfs/dbraw/zinc/28/59/63/263285963.db2.gz QTPPNMKLXHZGNX-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352234216 263286266 /nfs/dbraw/zinc/28/62/66/263286266.db2.gz ISCYDFMZBGAPGA-VIFPVBQESA-N 1 1 310.354 -1.183 20 0 DAADMO COC[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352234216 263286268 /nfs/dbraw/zinc/28/62/68/263286268.db2.gz ISCYDFMZBGAPGA-VIFPVBQESA-N 1 1 310.354 -1.183 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000514830228 263286348 /nfs/dbraw/zinc/28/63/48/263286348.db2.gz XMDBQFACUQLDFM-GARJFASQSA-N 1 1 303.359 -1.478 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000514830228 263286350 /nfs/dbraw/zinc/28/63/50/263286350.db2.gz XMDBQFACUQLDFM-GARJFASQSA-N 1 1 303.359 -1.478 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372154783 263286958 /nfs/dbraw/zinc/28/69/58/263286958.db2.gz BLJOCKXLFCKNFN-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372154783 263286960 /nfs/dbraw/zinc/28/69/60/263286960.db2.gz BLJOCKXLFCKNFN-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[C@@H](CO)C2)C1 ZINC000343927209 263287821 /nfs/dbraw/zinc/28/78/21/263287821.db2.gz VQLYJIIRROLMPU-XQQFMLRXSA-N 1 1 313.398 -1.090 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000361525781 263287853 /nfs/dbraw/zinc/28/78/53/263287853.db2.gz LNDYMKZLCVWROS-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000332612648 263288621 /nfs/dbraw/zinc/28/86/21/263288621.db2.gz GFOXPIGSDWWARW-JHJVBQTASA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H]1CO ZINC000347971964 263288628 /nfs/dbraw/zinc/28/86/28/263288628.db2.gz RMZZDIPMOOXSOD-UPJWGTAASA-N 1 1 312.414 -1.422 20 0 DAADMO CCCN(CCO)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347957334 263289517 /nfs/dbraw/zinc/28/95/17/263289517.db2.gz DHEPUFHGVHAIOA-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO O=C([C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CCNCC1 ZINC000430651304 263289798 /nfs/dbraw/zinc/28/97/98/263289798.db2.gz LLFFTKXESQRFCY-LBPRGKRZSA-N 1 1 323.397 -1.318 20 0 DAADMO O=C([C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)N1CCNCC1 ZINC000430651304 263289799 /nfs/dbraw/zinc/28/97/99/263289799.db2.gz LLFFTKXESQRFCY-LBPRGKRZSA-N 1 1 323.397 -1.318 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(=O)[nH]c1=O ZINC000367990275 263291039 /nfs/dbraw/zinc/29/10/39/263291039.db2.gz VBHRCXNVTRVMGB-QMMMGPOBSA-N 1 1 323.353 -1.069 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)c(=O)[nH]c1=O ZINC000367990275 263291041 /nfs/dbraw/zinc/29/10/41/263291041.db2.gz VBHRCXNVTRVMGB-QMMMGPOBSA-N 1 1 323.353 -1.069 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000361428805 263291703 /nfs/dbraw/zinc/29/17/03/263291703.db2.gz ZRRSZTKGRZZPCQ-HNNXBMFYSA-N 1 1 312.414 -1.325 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000332606498 263293339 /nfs/dbraw/zinc/29/33/39/263293339.db2.gz JNDATLSTHWRTOY-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000332606498 263293340 /nfs/dbraw/zinc/29/33/40/263293340.db2.gz JNDATLSTHWRTOY-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO CC[NH+]1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000057568112 263295948 /nfs/dbraw/zinc/29/59/48/263295948.db2.gz SKOAOUFRENVQOL-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330524347 263296248 /nfs/dbraw/zinc/29/62/48/263296248.db2.gz JVHCCESNEIMSNO-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000439706379 263296466 /nfs/dbraw/zinc/29/64/66/263296466.db2.gz JPWIRTBWTZIFAK-UHFFFAOYSA-N 1 1 308.404 -1.443 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000275516164 263296512 /nfs/dbraw/zinc/29/65/12/263296512.db2.gz UEOSPZUUJUGFAA-UHFFFAOYSA-N 1 1 302.400 -1.644 20 0 DAADMO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734560 263297922 /nfs/dbraw/zinc/29/79/22/263297922.db2.gz QVUUEXUGHCPWGN-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734560 263297923 /nfs/dbraw/zinc/29/79/23/263297923.db2.gz QVUUEXUGHCPWGN-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000410529907 263298635 /nfs/dbraw/zinc/29/86/35/263298635.db2.gz RGRXHOOUCMXDHB-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+]1CC=CCC1)S(N)(=O)=O ZINC000362195436 263298797 /nfs/dbraw/zinc/29/87/97/263298797.db2.gz KUICSMJMKSQKPC-SNVBAGLBSA-N 1 1 318.399 -1.842 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CC=CCC1)S(N)(=O)=O ZINC000362195436 263298798 /nfs/dbraw/zinc/29/87/98/263298798.db2.gz KUICSMJMKSQKPC-SNVBAGLBSA-N 1 1 318.399 -1.842 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(=O)[nH]c1=O ZINC000441335594 263299537 /nfs/dbraw/zinc/29/95/37/263299537.db2.gz ZOFYYMJDHKWGLS-OIBJUYFYSA-N 1 1 323.353 -1.152 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[NH+]2[C@H](CO)CC[C@H]2CO)cn1 ZINC000347269886 263301003 /nfs/dbraw/zinc/30/10/03/263301003.db2.gz GXEPAXUVJDFMFC-QWRGUYRKSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cnn(CCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000329206045 263302048 /nfs/dbraw/zinc/30/20/48/263302048.db2.gz YAKZKBPYBRLFIM-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO CN(CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)S(C)(=O)=O ZINC000332732335 263302408 /nfs/dbraw/zinc/30/24/08/263302408.db2.gz SBDWLVNIGIZYHI-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330683149 263302447 /nfs/dbraw/zinc/30/24/47/263302447.db2.gz ILWCGNOUHKWZNT-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000330649412 263302483 /nfs/dbraw/zinc/30/24/83/263302483.db2.gz JILNRDBSFNAGIP-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000330823183 263302932 /nfs/dbraw/zinc/30/29/32/263302932.db2.gz NYSOMEGEYBBMRF-GFCCVEGCSA-N 1 1 320.459 -1.123 20 0 DAADMO Cn1c2ncn(CCNCC3([NH3+])CCC3)c2c(=O)n(C)c1=O ZINC000342120965 263303627 /nfs/dbraw/zinc/30/36/27/263303627.db2.gz ARRCLAMVBPWGKX-UHFFFAOYSA-N 1 1 306.370 -1.095 20 0 DAADMO Cn1c2ncn(CC[NH2+]CC3(N)CCC3)c2c(=O)n(C)c1=O ZINC000342120965 263303630 /nfs/dbraw/zinc/30/36/30/263303630.db2.gz ARRCLAMVBPWGKX-UHFFFAOYSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@H](CNC(=O)NC[C@@H](C)S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000337024990 263304118 /nfs/dbraw/zinc/30/41/18/263304118.db2.gz BXFNVLNLZKAZDZ-GHMZBOCLSA-N 1 1 322.431 -1.069 20 0 DAADMO CNc1nc(NC[C@H](O)C2CC2)[nH+]c(NC[C@H](O)C2CC2)n1 ZINC000343915472 263304506 /nfs/dbraw/zinc/30/45/06/263304506.db2.gz KGEBWWOPZFSHSA-QWRGUYRKSA-N 1 1 308.386 -1.455 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000343904029 263304634 /nfs/dbraw/zinc/30/46/34/263304634.db2.gz DGGCKSVCYHIPNP-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@@H+](CCCC(=O)NC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428776940 263305129 /nfs/dbraw/zinc/30/51/29/263305129.db2.gz GQZAGUJNAXWORD-VIFPVBQESA-N 1 1 306.388 -1.073 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434717965 263305419 /nfs/dbraw/zinc/30/54/19/263305419.db2.gz KUNKKIXLTIBNSG-LDYMZIIASA-N 1 1 312.370 -1.079 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1CO ZINC000362088688 263305882 /nfs/dbraw/zinc/30/58/82/263305882.db2.gz RAGSTYOIPMNZRG-GHMZBOCLSA-N 1 1 321.381 -1.006 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000346595986 263306194 /nfs/dbraw/zinc/30/61/94/263306194.db2.gz SKGYPLSWEJHMSO-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO CCCCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347968711 263306605 /nfs/dbraw/zinc/30/66/05/263306605.db2.gz OWMVNGXQHGYZSW-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N1CCNC(=O)C1 ZINC000189459016 263306908 /nfs/dbraw/zinc/30/69/08/263306908.db2.gz WXXJCYURGJVZRM-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000424165282 263307466 /nfs/dbraw/zinc/30/74/66/263307466.db2.gz AQECMQJSWBFKQN-MXWKQRLJSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000359272247 263307890 /nfs/dbraw/zinc/30/78/90/263307890.db2.gz LZZGHJWUEAQOAS-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1cnn(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1=O ZINC000352462531 263308129 /nfs/dbraw/zinc/30/81/29/263308129.db2.gz SGWVOXPQLYWDMG-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000429926919 263308819 /nfs/dbraw/zinc/30/88/19/263308819.db2.gz NJHCSYDYUYVJCD-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CCO)CC1CC1 ZINC000352481972 263309337 /nfs/dbraw/zinc/30/93/37/263309337.db2.gz FVZPLMOJEWHQNO-SECBINFHSA-N 1 1 324.381 -1.058 20 0 DAADMO COCC(=O)N[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000358076101 263310060 /nfs/dbraw/zinc/31/00/60/263310060.db2.gz URRJDJZMXQYGDW-OCCSQVGLSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000422750462 263310284 /nfs/dbraw/zinc/31/02/84/263310284.db2.gz AYQCPMURDUIWAZ-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000355364255 263310435 /nfs/dbraw/zinc/31/04/35/263310435.db2.gz KNAHZFQYROOMKF-JTQLQIEISA-N 1 1 308.404 -1.756 20 0 DAADMO COC[C@@H](CO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353253862 263310473 /nfs/dbraw/zinc/31/04/73/263310473.db2.gz VYDDBCJXGOJZBW-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000333733136 263310898 /nfs/dbraw/zinc/31/08/98/263310898.db2.gz WLQKLGMVCWXBBL-KBPBESRZSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000333733136 263310900 /nfs/dbraw/zinc/31/09/00/263310900.db2.gz WLQKLGMVCWXBBL-KBPBESRZSA-N 1 1 313.446 -1.012 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000440424418 263311644 /nfs/dbraw/zinc/31/16/44/263311644.db2.gz FDKKDSOZCYTDNM-NXEZZACHSA-N 1 1 313.445 -1.062 20 0 DAADMO O=C(CN1CCNCC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000518182827 263311836 /nfs/dbraw/zinc/31/18/36/263311836.db2.gz NSRCUDHNJFEATN-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000330696489 263311954 /nfs/dbraw/zinc/31/19/54/263311954.db2.gz CRDMPVAYXNGKIS-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)CNC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435536726 263312523 /nfs/dbraw/zinc/31/25/23/263312523.db2.gz VDUVAZRLGLSQIM-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO COC(=O)CNC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435536726 263312525 /nfs/dbraw/zinc/31/25/25/263312525.db2.gz VDUVAZRLGLSQIM-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cnnn2C)CC1=O ZINC000354138074 263312762 /nfs/dbraw/zinc/31/27/62/263312762.db2.gz HFQGJNDLZXWGCZ-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329544424 263313495 /nfs/dbraw/zinc/31/34/95/263313495.db2.gz GAFUIUDVXDSHTO-KBPBESRZSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000328911431 263314093 /nfs/dbraw/zinc/31/40/93/263314093.db2.gz GIGIMDYNBXLXQY-UWVGGRQHSA-N 1 1 301.372 -1.091 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328911431 263314094 /nfs/dbraw/zinc/31/40/94/263314094.db2.gz GIGIMDYNBXLXQY-UWVGGRQHSA-N 1 1 301.372 -1.091 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000360186612 263314179 /nfs/dbraw/zinc/31/41/79/263314179.db2.gz AYONZMIAAHLLAE-RKDXNWHRSA-N 1 1 300.384 -1.498 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1O ZINC000351820587 263315460 /nfs/dbraw/zinc/31/54/60/263315460.db2.gz FIHRZRXSWOBTNK-VHSXEESVSA-N 1 1 307.354 -1.254 20 0 DAADMO Cn1ccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000346906932 263315630 /nfs/dbraw/zinc/31/56/30/263315630.db2.gz FERYITDDULASBS-UHFFFAOYSA-N 1 1 323.397 -1.049 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000408271994 263315920 /nfs/dbraw/zinc/31/59/20/263315920.db2.gz VOUPGTHFOKHSLL-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCCO1 ZINC000261866386 263317194 /nfs/dbraw/zinc/31/71/94/263317194.db2.gz NRPUDDXJVUCJAG-ZJUUUORDSA-N 1 1 310.320 -1.073 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000444380137 263317380 /nfs/dbraw/zinc/31/73/80/263317380.db2.gz DPBCXCRJLCNZCZ-SECBINFHSA-N 1 1 312.326 -2.068 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000347962143 263317462 /nfs/dbraw/zinc/31/74/62/263317462.db2.gz ISUMWNWHJLMIPE-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000363218794 263318368 /nfs/dbraw/zinc/31/83/68/263318368.db2.gz MCASENLAZZADRD-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000516177398 263318538 /nfs/dbraw/zinc/31/85/38/263318538.db2.gz JHAKUVCVXUJOFU-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO COC(=O)c1cn(CC(=O)NCCC[NH+]2CCOCC2)nn1 ZINC000353742590 263318591 /nfs/dbraw/zinc/31/85/91/263318591.db2.gz WUXZOIBRCAWXDJ-UHFFFAOYSA-N 1 1 311.342 -1.097 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)S(N)(=O)=O ZINC000439348962 263318632 /nfs/dbraw/zinc/31/86/32/263318632.db2.gz LOISDLPDLPGQNV-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000339365217 263318689 /nfs/dbraw/zinc/31/86/89/263318689.db2.gz XXQUZHPDAXYYPW-UHFFFAOYSA-N 1 1 322.431 -1.149 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)OC ZINC000347934282 263319227 /nfs/dbraw/zinc/31/92/27/263319227.db2.gz NJCKHGIYOCCCQG-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)OC ZINC000347934282 263319228 /nfs/dbraw/zinc/31/92/28/263319228.db2.gz NJCKHGIYOCCCQG-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000330469305 263319415 /nfs/dbraw/zinc/31/94/15/263319415.db2.gz LHMYERNFXSSGQM-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000330469305 263319417 /nfs/dbraw/zinc/31/94/17/263319417.db2.gz LHMYERNFXSSGQM-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(C)(C)O ZINC000333297480 263320555 /nfs/dbraw/zinc/32/05/55/263320555.db2.gz GWWVFCSBLJSISA-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000262022849 263321111 /nfs/dbraw/zinc/32/11/11/263321111.db2.gz GIBVIMCAYSPNLD-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000262022849 263321113 /nfs/dbraw/zinc/32/11/13/263321113.db2.gz GIBVIMCAYSPNLD-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000276439279 263321620 /nfs/dbraw/zinc/32/16/20/263321620.db2.gz LBWJQWNSHDOBBB-HNNXBMFYSA-N 1 1 321.333 -1.046 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000276439279 263321621 /nfs/dbraw/zinc/32/16/21/263321621.db2.gz LBWJQWNSHDOBBB-HNNXBMFYSA-N 1 1 321.333 -1.046 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000356970203 263321727 /nfs/dbraw/zinc/32/17/27/263321727.db2.gz ZSICUDPRHOFPLM-QWRGUYRKSA-N 1 1 313.354 -1.680 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408046706 263321751 /nfs/dbraw/zinc/32/17/51/263321751.db2.gz XTZBBMHCTWEIHE-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCOCC1 ZINC000345784725 263321894 /nfs/dbraw/zinc/32/18/94/263321894.db2.gz ADNBWHNKMDBUPA-UHFFFAOYSA-N 1 1 314.386 -1.133 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC000408320067 263321965 /nfs/dbraw/zinc/32/19/65/263321965.db2.gz JPMFIUOGOWICHI-VWYCJHECSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC000408320067 263321967 /nfs/dbraw/zinc/32/19/67/263321967.db2.gz JPMFIUOGOWICHI-VWYCJHECSA-N 1 1 307.416 -1.162 20 0 DAADMO COC(=O)CCNC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441266850 263321994 /nfs/dbraw/zinc/32/19/94/263321994.db2.gz ODQBBLJCUMPXLJ-CYBMUJFWSA-N 1 1 316.354 -1.088 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000328911432 263322102 /nfs/dbraw/zinc/32/21/02/263322102.db2.gz GIGIMDYNBXLXQY-VHSXEESVSA-N 1 1 301.372 -1.091 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328911432 263322105 /nfs/dbraw/zinc/32/21/05/263322105.db2.gz GIGIMDYNBXLXQY-VHSXEESVSA-N 1 1 301.372 -1.091 20 0 DAADMO CNC(=O)CCCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000341016112 263322192 /nfs/dbraw/zinc/32/21/92/263322192.db2.gz LPPJIPHUAWIYDN-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[NH+](CCO)CC1)C(C)C ZINC000351343881 263322263 /nfs/dbraw/zinc/32/22/63/263322263.db2.gz VCRHLWCOLWDJKI-ZDUSSCGKSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352242901 263323299 /nfs/dbraw/zinc/32/32/99/263323299.db2.gz TXXLEBKVLNZQSR-UHFFFAOYSA-N 1 1 306.388 -1.297 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C)S(N)(=O)=O ZINC000359426694 263323800 /nfs/dbraw/zinc/32/38/00/263323800.db2.gz KHILQFBUYYUERI-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000499696699 263324208 /nfs/dbraw/zinc/32/42/08/263324208.db2.gz PVWBJTFQJPTLPT-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000346659575 263324930 /nfs/dbraw/zinc/32/49/30/263324930.db2.gz UUNLCEPJJKCXNA-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@](O)(CNC(=O)CN1CSCC1=O)C[NH+]1CCOCC1 ZINC000332567211 263325499 /nfs/dbraw/zinc/32/54/99/263325499.db2.gz UEWCJODEGWGDDG-ZDUSSCGKSA-N 1 1 317.411 -1.281 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCn1cncn1 ZINC000347007493 263326078 /nfs/dbraw/zinc/32/60/78/263326078.db2.gz DLSUULKOMDYHMV-NSHDSACASA-N 1 1 309.374 -1.083 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001194399864 782038575 /nfs/dbraw/zinc/03/85/75/782038575.db2.gz VUIBBBWUFJURAC-ZWKOPEQDSA-N 1 1 324.381 -1.035 20 0 DAADMO COCCn1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1=O ZINC001194504088 782039423 /nfs/dbraw/zinc/03/94/23/782039423.db2.gz IAJXXXCDEHNJSC-SRVKXCTJSA-N 1 1 322.369 -2.373 20 0 DAADMO COCCn1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1=O ZINC001194504087 782039762 /nfs/dbraw/zinc/03/97/62/782039762.db2.gz IAJXXXCDEHNJSC-SDDRHHMPSA-N 1 1 322.369 -2.373 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194546152 782039851 /nfs/dbraw/zinc/03/98/51/782039851.db2.gz QBFUXTGGSIIKQN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194546152 782039862 /nfs/dbraw/zinc/03/98/62/782039862.db2.gz QBFUXTGGSIIKQN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001194546278 782039882 /nfs/dbraw/zinc/03/98/82/782039882.db2.gz RGSQAHQVNVJVAZ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001194546278 782039887 /nfs/dbraw/zinc/03/98/87/782039887.db2.gz RGSQAHQVNVJVAZ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001194523882 782039918 /nfs/dbraw/zinc/03/99/18/782039918.db2.gz MCUSKEINUFUAIC-GMTAPVOTSA-N 1 1 313.354 -1.932 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001194704767 782041553 /nfs/dbraw/zinc/04/15/53/782041553.db2.gz VAEMLVCMVKZVMP-IJLUTSLNSA-N 1 1 304.387 -1.172 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001194644684 782042877 /nfs/dbraw/zinc/04/28/77/782042877.db2.gz RFYVYSNUWWHFPQ-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001194644684 782042886 /nfs/dbraw/zinc/04/28/86/782042886.db2.gz RFYVYSNUWWHFPQ-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(CC3CC3)c2=O)[C@H]2NCN[C@H]21 ZINC001194604558 782043299 /nfs/dbraw/zinc/04/32/99/782043299.db2.gz OERMHHVXWBCEAR-YNEHKIRRSA-N 1 1 318.381 -1.609 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001194688532 782042558 /nfs/dbraw/zinc/04/25/58/782042558.db2.gz TWONVGROGBAKFI-VXGBXAGGSA-N 1 1 309.370 -1.134 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001194688532 782042566 /nfs/dbraw/zinc/04/25/66/782042566.db2.gz TWONVGROGBAKFI-VXGBXAGGSA-N 1 1 309.370 -1.134 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194703680 782042705 /nfs/dbraw/zinc/04/27/05/782042705.db2.gz LFZKSFJPGNIWOC-VXGBXAGGSA-N 1 1 304.387 -1.171 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194703680 782042709 /nfs/dbraw/zinc/04/27/09/782042709.db2.gz LFZKSFJPGNIWOC-VXGBXAGGSA-N 1 1 304.387 -1.171 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@H+](CCNC(=O)C2CC2)CC1 ZINC001194802149 782046763 /nfs/dbraw/zinc/04/67/63/782046763.db2.gz ACZQXTKJLJTASW-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](CCNC(=O)C2CC2)CC1 ZINC001194802149 782046771 /nfs/dbraw/zinc/04/67/71/782046771.db2.gz ACZQXTKJLJTASW-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001194719613 782045021 /nfs/dbraw/zinc/04/50/21/782045021.db2.gz APBFLAXBSAFUMY-YNEHKIRRSA-N 1 1 312.370 -1.640 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194795496 782046003 /nfs/dbraw/zinc/04/60/03/782046003.db2.gz OTVANPYPSXEMOZ-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194795496 782046015 /nfs/dbraw/zinc/04/60/15/782046015.db2.gz OTVANPYPSXEMOZ-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO CN(C(=O)C[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1)C1CC1 ZINC001194761929 782046116 /nfs/dbraw/zinc/04/61/16/782046116.db2.gz NNZOYFMGXCCYAA-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C(=O)C[N@H+]1CCCN(C(=O)CNC(N)=O)CC1)C1CC1 ZINC001194761929 782046128 /nfs/dbraw/zinc/04/61/28/782046128.db2.gz NNZOYFMGXCCYAA-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761665 782047948 /nfs/dbraw/zinc/04/79/48/782047948.db2.gz JQWFDLSXMHBBNI-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761665 782047957 /nfs/dbraw/zinc/04/79/57/782047957.db2.gz JQWFDLSXMHBBNI-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC001194882832 782049043 /nfs/dbraw/zinc/04/90/43/782049043.db2.gz IHKUQVAHMJGRCM-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO O=C([C@H]1COCCO1)N1CCC[N@H+](CCOCCO)CC1 ZINC001194883670 782049693 /nfs/dbraw/zinc/04/96/93/782049693.db2.gz WXKNTPBLYVTZTP-CYBMUJFWSA-N 1 1 302.371 -1.055 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000354841949 276290478 /nfs/dbraw/zinc/29/04/78/276290478.db2.gz ACNNXPAPSNPNEE-JSGCOSHPSA-N 1 1 304.387 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001194798412 782049992 /nfs/dbraw/zinc/04/99/92/782049992.db2.gz JTLIDMGWNFWRIL-MVWJERBFSA-N 1 1 301.318 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194943382 782050802 /nfs/dbraw/zinc/05/08/02/782050802.db2.gz YPQAAQMPCYDDSN-OPRDCNLKSA-N 1 1 312.313 -1.563 20 0 DAADMO COC[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCOC1 ZINC001195012997 782051127 /nfs/dbraw/zinc/05/11/27/782051127.db2.gz VFQNPQUSIZKCFS-BZPMIXESSA-N 1 1 302.371 -1.417 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001195013297 782051380 /nfs/dbraw/zinc/05/13/80/782051380.db2.gz XRBTXNJHJXBZLO-IQJOONFLSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001195013297 782051390 /nfs/dbraw/zinc/05/13/90/782051390.db2.gz XRBTXNJHJXBZLO-IQJOONFLSA-N 1 1 315.326 -1.535 20 0 DAADMO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278543526 279559999 /nfs/dbraw/zinc/55/99/99/279559999.db2.gz AKEZCDZKSPOORO-ZIAGYGMSSA-N 1 1 321.377 -1.072 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)c1=O ZINC001194953051 782051990 /nfs/dbraw/zinc/05/19/90/782051990.db2.gz YWBFDUVGQDSDSZ-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn(C)c1 ZINC001195029250 782052634 /nfs/dbraw/zinc/05/26/34/782052634.db2.gz BSIBHSXTKXKPHN-JHJVBQTASA-N 1 1 312.370 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC001195045136 782053074 /nfs/dbraw/zinc/05/30/74/782053074.db2.gz VWESERMQGCZTQN-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050298 782053128 /nfs/dbraw/zinc/05/31/28/782053128.db2.gz RSLIOMLBIZLXRK-NQMVMOMDSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001195050298 782053119 /nfs/dbraw/zinc/05/31/19/782053119.db2.gz RSLIOMLBIZLXRK-NQMVMOMDSA-N 1 1 302.356 -1.680 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001194997529 782054396 /nfs/dbraw/zinc/05/43/96/782054396.db2.gz SAWZXKCZCSFXAV-RKDXNWHRSA-N 1 1 310.376 -3.152 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001195020527 782055526 /nfs/dbraw/zinc/05/55/26/782055526.db2.gz LXRSDWVLBUUGND-UPJWGTAASA-N 1 1 312.370 -1.085 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](OC)c2cnn(C)c2)C1 ZINC001195020527 782055534 /nfs/dbraw/zinc/05/55/34/782055534.db2.gz LXRSDWVLBUUGND-UPJWGTAASA-N 1 1 312.370 -1.085 20 0 DAADMO CCOC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001195113954 782055591 /nfs/dbraw/zinc/05/55/91/782055591.db2.gz HHRXBTWLUPGBNY-RWMBFGLXSA-N 1 1 319.365 -1.004 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1 ZINC001195149469 782057784 /nfs/dbraw/zinc/05/77/84/782057784.db2.gz OMHYBZISRRILGA-YNEHKIRRSA-N 1 1 312.370 -1.558 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195222195 782058264 /nfs/dbraw/zinc/05/82/64/782058264.db2.gz OXQSVMBLJYBPDD-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195272090 782059117 /nfs/dbraw/zinc/05/91/17/782059117.db2.gz QZQPKOWZLSHQKB-YNEHKIRRSA-N 1 1 313.398 -1.044 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195272087 782060421 /nfs/dbraw/zinc/06/04/21/782060421.db2.gz QZQPKOWZLSHQKB-JHJVBQTASA-N 1 1 313.398 -1.044 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195271903 782060457 /nfs/dbraw/zinc/06/04/57/782060457.db2.gz PITRSWZKCUTWDZ-IQJOONFLSA-N 1 1 314.342 -2.092 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195293592 782060767 /nfs/dbraw/zinc/06/07/67/782060767.db2.gz AIDRUAKOTYLNMG-GMTAPVOTSA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195293592 782060772 /nfs/dbraw/zinc/06/07/72/782060772.db2.gz AIDRUAKOTYLNMG-GMTAPVOTSA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001195295690 782060914 /nfs/dbraw/zinc/06/09/14/782060914.db2.gz XNRGUMXXJOUVGX-CYZMBNFOSA-N 1 1 323.397 -1.365 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001195277306 782060938 /nfs/dbraw/zinc/06/09/38/782060938.db2.gz FLWABUMQDXIHSH-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001195287368 782061040 /nfs/dbraw/zinc/06/10/40/782061040.db2.gz OJNRLGJWEJGWBM-FMKGYKFTSA-N 1 1 313.398 -1.044 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1C(F)F ZINC001195282427 782061772 /nfs/dbraw/zinc/06/17/72/782061772.db2.gz GPKQDTLGIVSQPT-UASFKTIASA-N 1 1 301.301 -1.510 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001195277273 782062005 /nfs/dbraw/zinc/06/20/05/782062005.db2.gz DPDSNMSGVYIFES-GRYCIOLGSA-N 1 1 314.386 -1.404 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001195295597 782062468 /nfs/dbraw/zinc/06/24/68/782062468.db2.gz UBOGTZBHYWYGIX-GMTAPVOTSA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001195295597 782062478 /nfs/dbraw/zinc/06/24/78/782062478.db2.gz UBOGTZBHYWYGIX-GMTAPVOTSA-N 1 1 310.358 -2.049 20 0 DAADMO CC[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195325617 782062825 /nfs/dbraw/zinc/06/28/25/782062825.db2.gz BONFOJIQCOTAAW-HBNTYKKESA-N 1 1 302.350 -1.079 20 0 DAADMO CC[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195325617 782062830 /nfs/dbraw/zinc/06/28/30/782062830.db2.gz BONFOJIQCOTAAW-HBNTYKKESA-N 1 1 302.350 -1.079 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001195358877 782064934 /nfs/dbraw/zinc/06/49/34/782064934.db2.gz VWAMYEXBDKODAC-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001195358877 782064946 /nfs/dbraw/zinc/06/49/46/782064946.db2.gz VWAMYEXBDKODAC-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CCCn1ccccc1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195301752 782065135 /nfs/dbraw/zinc/06/51/35/782065135.db2.gz QEYASMFQCGUHKP-CHWSQXEVSA-N 1 1 309.366 -1.218 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001195390835 782065884 /nfs/dbraw/zinc/06/58/84/782065884.db2.gz YFLMENUFPFCJKZ-RFQIPJPRSA-N 1 1 315.414 -1.361 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195367791 782064325 /nfs/dbraw/zinc/06/43/25/782064325.db2.gz ZBHPFPVJFCJLCM-GHMZBOCLSA-N 1 1 312.374 -1.200 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC001195515862 782069073 /nfs/dbraw/zinc/06/90/73/782069073.db2.gz RGOHTXCQEDOKIX-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001195601535 782070281 /nfs/dbraw/zinc/07/02/81/782070281.db2.gz JMMRIMPHYSFMED-NQBHXWOUSA-N 1 1 312.370 -1.489 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001195594481 782070915 /nfs/dbraw/zinc/07/09/15/782070915.db2.gz OZVJLPHECDGVSW-YRGRVCCFSA-N 1 1 320.361 -1.061 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001195594481 782070923 /nfs/dbraw/zinc/07/09/23/782070923.db2.gz OZVJLPHECDGVSW-YRGRVCCFSA-N 1 1 320.361 -1.061 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001195515978 782069292 /nfs/dbraw/zinc/06/92/92/782069292.db2.gz VAPGMIXGPGHVKG-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[N@H+](CCOCCO)CC1 ZINC001195514132 782069441 /nfs/dbraw/zinc/06/94/41/782069441.db2.gz GDERRQAVUSBALN-UHFFFAOYSA-N 1 1 315.414 -1.138 20 0 DAADMO Cn1cc(C(=O)NCCN2CCC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC001195545975 782071151 /nfs/dbraw/zinc/07/11/51/782071151.db2.gz ZLTFNSPLFYKZFJ-UHFFFAOYSA-N 1 1 323.397 -1.549 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001195594958 782071580 /nfs/dbraw/zinc/07/15/80/782071580.db2.gz XFILPOYSDACWAQ-NQBHXWOUSA-N 1 1 306.334 -1.715 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001195594958 782071592 /nfs/dbraw/zinc/07/15/92/782071592.db2.gz XFILPOYSDACWAQ-NQBHXWOUSA-N 1 1 306.334 -1.715 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001195581860 782071711 /nfs/dbraw/zinc/07/17/11/782071711.db2.gz WRWZNUGWJBREDD-IACUBPJLSA-N 1 1 324.381 -1.250 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001195581860 782071720 /nfs/dbraw/zinc/07/17/20/782071720.db2.gz WRWZNUGWJBREDD-IACUBPJLSA-N 1 1 324.381 -1.250 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001195619752 782072224 /nfs/dbraw/zinc/07/22/24/782072224.db2.gz CGBLZDCJVNCLSV-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001195619753 782072883 /nfs/dbraw/zinc/07/28/83/782072883.db2.gz CGBLZDCJVNCLSV-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001195621207 782073160 /nfs/dbraw/zinc/07/31/60/782073160.db2.gz WRVNSPLFVUTANU-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001195621207 782073167 /nfs/dbraw/zinc/07/31/67/782073167.db2.gz WRVNSPLFVUTANU-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195691204 782074310 /nfs/dbraw/zinc/07/43/10/782074310.db2.gz JYKHYWHCLCTHDA-HBNTYKKESA-N 1 1 316.358 -2.508 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195691204 782074315 /nfs/dbraw/zinc/07/43/15/782074315.db2.gz JYKHYWHCLCTHDA-HBNTYKKESA-N 1 1 316.358 -2.508 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195648879 782074679 /nfs/dbraw/zinc/07/46/79/782074679.db2.gz XCKGBDUCLXURTG-YUSALJHKSA-N 1 1 310.354 -1.294 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195753364 782081098 /nfs/dbraw/zinc/08/10/98/782081098.db2.gz LHHXVDJGPSVVTI-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001195783137 782081870 /nfs/dbraw/zinc/08/18/70/782081870.db2.gz BOMWZMNMZUDKIO-OUAUKWLOSA-N 1 1 324.381 -1.966 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001195783137 782081880 /nfs/dbraw/zinc/08/18/80/782081880.db2.gz BOMWZMNMZUDKIO-OUAUKWLOSA-N 1 1 324.381 -1.966 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001195799322 782082353 /nfs/dbraw/zinc/08/23/53/782082353.db2.gz WLQJGOCHBZRYOR-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195789929 782083494 /nfs/dbraw/zinc/08/34/94/782083494.db2.gz LAVHTSSNBNSSTD-IJLUTSLNSA-N 1 1 311.382 -1.018 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195783637 782083516 /nfs/dbraw/zinc/08/35/16/782083516.db2.gz PFRSHLQXYFZAKN-IJLUTSLNSA-N 1 1 311.382 -1.160 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)cn1 ZINC001195783488 782083859 /nfs/dbraw/zinc/08/38/59/782083859.db2.gz MDHYRTLMBHOMQX-VXGBXAGGSA-N 1 1 321.381 -1.611 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195691200 782075826 /nfs/dbraw/zinc/07/58/26/782075826.db2.gz JYKHYWHCLCTHDA-GMTAPVOTSA-N 1 1 316.358 -2.508 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195691200 782075834 /nfs/dbraw/zinc/07/58/34/782075834.db2.gz JYKHYWHCLCTHDA-GMTAPVOTSA-N 1 1 316.358 -2.508 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195724858 782076477 /nfs/dbraw/zinc/07/64/77/782076477.db2.gz FBDZZIMWWVNSJX-HBNTYKKESA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195724858 782076484 /nfs/dbraw/zinc/07/64/84/782076484.db2.gz FBDZZIMWWVNSJX-HBNTYKKESA-N 1 1 303.359 -2.334 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718507 782079247 /nfs/dbraw/zinc/07/92/47/782079247.db2.gz ZYYUPMDYFSUGFT-IVZWLZJFSA-N 1 1 305.331 -3.343 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718507 782079254 /nfs/dbraw/zinc/07/92/54/782079254.db2.gz ZYYUPMDYFSUGFT-IVZWLZJFSA-N 1 1 305.331 -3.343 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001195716891 782079913 /nfs/dbraw/zinc/07/99/13/782079913.db2.gz CTQKHLJQCJYETH-BFHYXJOUSA-N 1 1 321.377 -1.373 20 0 DAADMO CCOCC[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001195893579 782084525 /nfs/dbraw/zinc/08/45/25/782084525.db2.gz IONYWZUAOWKPOA-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO COCCOCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859208 782084204 /nfs/dbraw/zinc/08/42/04/782084204.db2.gz GGJYRMXZGYJALF-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)C1 ZINC001195842660 782085503 /nfs/dbraw/zinc/08/55/03/782085503.db2.gz QSDVRFPLIFOHRF-YNEHKIRRSA-N 1 1 309.370 -1.362 20 0 DAADMO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001195842660 782085513 /nfs/dbraw/zinc/08/55/13/782085513.db2.gz QSDVRFPLIFOHRF-YNEHKIRRSA-N 1 1 309.370 -1.362 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C1 ZINC001195842660 782085518 /nfs/dbraw/zinc/08/55/18/782085518.db2.gz QSDVRFPLIFOHRF-YNEHKIRRSA-N 1 1 309.370 -1.362 20 0 DAADMO C[C@H](CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853885 782085783 /nfs/dbraw/zinc/08/57/83/782085783.db2.gz PSUXUQFXEYKYBE-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853885 782085794 /nfs/dbraw/zinc/08/57/94/782085794.db2.gz PSUXUQFXEYKYBE-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001195881296 782086583 /nfs/dbraw/zinc/08/65/83/782086583.db2.gz DCPQAOZGDJMMPC-BFHYXJOUSA-N 1 1 314.382 -1.108 20 0 DAADMO Cn1cccc1-c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)no1 ZINC001196008664 782088225 /nfs/dbraw/zinc/08/82/25/782088225.db2.gz FGKFIFDUDBNQJP-AVGNSLFASA-N 1 1 317.353 -1.187 20 0 DAADMO CCOC(=O)CS(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001195992402 782089796 /nfs/dbraw/zinc/08/97/96/782089796.db2.gz BANGXCUKLDUEBT-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196029234 782090171 /nfs/dbraw/zinc/09/01/71/782090171.db2.gz GXKKNSUDRNFXIF-IJLUTSLNSA-N 1 1 306.359 -2.182 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196029234 782090176 /nfs/dbraw/zinc/09/01/76/782090176.db2.gz GXKKNSUDRNFXIF-IJLUTSLNSA-N 1 1 306.359 -2.182 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCNC1=O ZINC001196138142 782091470 /nfs/dbraw/zinc/09/14/70/782091470.db2.gz LBXFWIRZSXJRQW-GYSYKLTISA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCNC1=O ZINC001196138142 782091478 /nfs/dbraw/zinc/09/14/78/782091478.db2.gz LBXFWIRZSXJRQW-GYSYKLTISA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001196041002 782091631 /nfs/dbraw/zinc/09/16/31/782091631.db2.gz URVJZTMJOUQEBM-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC001196033828 782092284 /nfs/dbraw/zinc/09/22/84/782092284.db2.gz SOXWKFCCQRQVEM-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001196040093 782093217 /nfs/dbraw/zinc/09/32/17/782093217.db2.gz CQHXVUVOUJFVBQ-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001196184674 782093800 /nfs/dbraw/zinc/09/38/00/782093800.db2.gz DHDZGLLEGSBELO-UMSGYPCISA-N 1 1 313.398 -1.092 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(=O)OC ZINC000570642285 332789422 /nfs/dbraw/zinc/78/94/22/332789422.db2.gz HPAWSGVSMXHWEZ-PXWWUCIGSA-N 1 1 315.370 -1.076 20 0 DAADMO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000560634588 332372209 /nfs/dbraw/zinc/37/22/09/332372209.db2.gz ITUIPKYFPYMMCN-WOPDTQHZSA-N 1 1 319.427 -1.761 20 0 DAADMO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000560634587 332372328 /nfs/dbraw/zinc/37/23/28/332372328.db2.gz ITUIPKYFPYMMCN-SRVKXCTJSA-N 1 1 319.427 -1.761 20 0 DAADMO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000566414086 332393836 /nfs/dbraw/zinc/39/38/36/332393836.db2.gz XUHIICZVBICMIH-SNVBAGLBSA-N 1 1 311.338 -1.207 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000578893030 332395432 /nfs/dbraw/zinc/39/54/32/332395432.db2.gz PWYFFQSJROZUCA-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000578893030 332395434 /nfs/dbraw/zinc/39/54/34/332395434.db2.gz PWYFFQSJROZUCA-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CCOC(=O)CCCNC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000580208524 333008783 /nfs/dbraw/zinc/00/87/83/333008783.db2.gz FGWMCOUKPSKBPK-ZDUSSCGKSA-N 1 1 301.343 -1.320 20 0 DAADMO O=C(CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1)N1CC[NH2+]CC1 ZINC000563150904 333398170 /nfs/dbraw/zinc/39/81/70/333398170.db2.gz CLTUJGCBQXIMDB-CQSZACIVSA-N 1 1 323.441 -1.296 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCCN[C@H]3C2)CC1=O ZINC000571332104 333751079 /nfs/dbraw/zinc/75/10/79/333751079.db2.gz WDVHLLFVRIQOIX-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341476460 334452011 /nfs/dbraw/zinc/45/20/11/334452011.db2.gz CKVUIHZLOLBIDW-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000342582568 334552941 /nfs/dbraw/zinc/55/29/41/334552941.db2.gz HOPUQZUMYRFDDY-UHFFFAOYSA-N 1 1 323.415 -1.274 20 0 DAADMO CN1C[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000333661266 336207871 /nfs/dbraw/zinc/20/78/71/336207871.db2.gz XAULTMMXOMHELH-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC001196334148 782101714 /nfs/dbraw/zinc/10/17/14/782101714.db2.gz VDEJWIRIXCOSDL-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO COCCC[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001196717984 782109012 /nfs/dbraw/zinc/10/90/12/782109012.db2.gz JOUXPJWBNXTZLK-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001196692085 782108863 /nfs/dbraw/zinc/10/88/63/782108863.db2.gz UBSVQTMVYQEWPP-IJLUTSLNSA-N 1 1 315.395 -1.146 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001196422329 782104328 /nfs/dbraw/zinc/10/43/28/782104328.db2.gz YLSPFDDSJMMNDW-YUSALJHKSA-N 1 1 319.427 -1.115 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)C(F)(F)F ZINC001250999958 782105143 /nfs/dbraw/zinc/10/51/43/782105143.db2.gz OAWWRXVZVKNARN-YFKPBYRVSA-N 1 1 300.237 -2.783 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001196423402 782105254 /nfs/dbraw/zinc/10/52/54/782105254.db2.gz HFYHLVAIQSDCEQ-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196422075 782105273 /nfs/dbraw/zinc/10/52/73/782105273.db2.gz VBQOZQHTTJFHMH-GMTAPVOTSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196489294 782105346 /nfs/dbraw/zinc/10/53/46/782105346.db2.gz DURPMPQDIMWIKM-IVZWLZJFSA-N 1 1 324.403 -3.076 20 0 DAADMO NC(=O)NC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CCCCC1 ZINC001196624333 782106907 /nfs/dbraw/zinc/10/69/07/782106907.db2.gz VTORNCLFNHVMTB-GHMZBOCLSA-N 1 1 314.386 -1.489 20 0 DAADMO NC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCCCC1 ZINC001196624333 782106915 /nfs/dbraw/zinc/10/69/15/782106915.db2.gz VTORNCLFNHVMTB-GHMZBOCLSA-N 1 1 314.386 -1.489 20 0 DAADMO COCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196598017 782107001 /nfs/dbraw/zinc/10/70/01/782107001.db2.gz AJZXFZIIRIKXPB-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196598017 782107005 /nfs/dbraw/zinc/10/70/05/782107005.db2.gz AJZXFZIIRIKXPB-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)COC)CC1 ZINC001196647781 782107882 /nfs/dbraw/zinc/10/78/82/782107882.db2.gz BASDUDVYSJFSIU-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114310969 782107940 /nfs/dbraw/zinc/10/79/40/782107940.db2.gz FYJJRTRNMWJPDS-ZNSHCXBVSA-N 1 1 305.400 -1.647 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCCF)CC1 ZINC001196656230 782108055 /nfs/dbraw/zinc/10/80/55/782108055.db2.gz NKEPKNGFKFFPOR-UHFFFAOYSA-N 1 1 310.395 -1.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001196649381 782108344 /nfs/dbraw/zinc/10/83/44/782108344.db2.gz UKGJOWMSIJLUMB-UHFFFAOYSA-N 1 1 308.404 -2.043 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001196268306 782096415 /nfs/dbraw/zinc/09/64/15/782096415.db2.gz RDGSAXKRDXQRSG-FVCCEPFGSA-N 1 1 303.403 -1.505 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001196234137 782096560 /nfs/dbraw/zinc/09/65/60/782096560.db2.gz ALTRKVYIPKCJGR-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001196234137 782096570 /nfs/dbraw/zinc/09/65/70/782096570.db2.gz ALTRKVYIPKCJGR-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196214420 782096589 /nfs/dbraw/zinc/09/65/89/782096589.db2.gz BKHFLVRNLHNIEB-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196215236 782097551 /nfs/dbraw/zinc/09/75/51/782097551.db2.gz XQOUVJYAMPOWTQ-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196290782 782099087 /nfs/dbraw/zinc/09/90/87/782099087.db2.gz MAOKHSNQPNXRCE-QJPTWQEYSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196290782 782099097 /nfs/dbraw/zinc/09/90/97/782099097.db2.gz MAOKHSNQPNXRCE-QJPTWQEYSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196290782 782099103 /nfs/dbraw/zinc/09/91/03/782099103.db2.gz MAOKHSNQPNXRCE-QJPTWQEYSA-N 1 1 313.358 -2.094 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196739256 782110128 /nfs/dbraw/zinc/11/01/28/782110128.db2.gz KFFFGTNPMAFXIZ-NXEZZACHSA-N 1 1 307.416 -1.116 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110484868 782110451 /nfs/dbraw/zinc/11/04/51/782110451.db2.gz QDTYKMACFKERNG-QCNOEVLYSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110484868 782110456 /nfs/dbraw/zinc/11/04/56/782110456.db2.gz QDTYKMACFKERNG-QCNOEVLYSA-N 1 1 323.397 -1.003 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C1 ZINC000582868705 337209123 /nfs/dbraw/zinc/20/91/23/337209123.db2.gz JPBSIQHTSUVSIX-BFHYXJOUSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C1 ZINC000582868705 337209124 /nfs/dbraw/zinc/20/91/24/337209124.db2.gz JPBSIQHTSUVSIX-BFHYXJOUSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)CN(C)C)CC1 ZINC000582853788 337210691 /nfs/dbraw/zinc/21/06/91/337210691.db2.gz LXLKULGJCFIQBQ-AWEZNQCLSA-N 1 1 316.446 -1.369 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)CN(C)C)CC1 ZINC000582853788 337210692 /nfs/dbraw/zinc/21/06/92/337210692.db2.gz LXLKULGJCFIQBQ-AWEZNQCLSA-N 1 1 316.446 -1.369 20 0 DAADMO COCC(=O)NC1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420146776 337495864 /nfs/dbraw/zinc/49/58/64/337495864.db2.gz AYNKGGDDUBBNSR-UHFFFAOYSA-N 1 1 308.285 -2.330 20 0 DAADMO O=C(Cn1cccn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424036399 337730703 /nfs/dbraw/zinc/73/07/03/337730703.db2.gz DXOXGXKEHOWLEK-UHFFFAOYSA-N 1 1 313.383 -1.671 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001196738867 782111012 /nfs/dbraw/zinc/11/10/12/782111012.db2.gz FMQRUMXLHJRQNS-OUAUKWLOSA-N 1 1 312.370 -2.095 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001196738867 782111021 /nfs/dbraw/zinc/11/10/21/782111021.db2.gz FMQRUMXLHJRQNS-OUAUKWLOSA-N 1 1 312.370 -2.095 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1)S(N)(=O)=O ZINC000542876352 341024794 /nfs/dbraw/zinc/02/47/94/341024794.db2.gz BLUAQIFDKLYKEV-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[N@H+](CCO)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000072938510 341111203 /nfs/dbraw/zinc/11/12/03/341111203.db2.gz MLXMYMNBXSTMTM-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[N@@H+](CCO)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000072938510 341111204 /nfs/dbraw/zinc/11/12/04/341111204.db2.gz MLXMYMNBXSTMTM-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000074674378 341150586 /nfs/dbraw/zinc/15/05/86/341150586.db2.gz GORPAUZJFPXAHW-UHFFFAOYSA-N 1 1 304.416 -1.662 20 0 DAADMO CN(CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)S(C)(=O)=O ZINC000548062544 341245306 /nfs/dbraw/zinc/24/53/06/341245306.db2.gz FZNPLHPRXIHLRS-UHFFFAOYSA-N 1 1 301.372 -1.050 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC000548371711 341257261 /nfs/dbraw/zinc/25/72/61/341257261.db2.gz YMGLRWBFYDZYFP-UHFFFAOYSA-N 1 1 310.358 -1.394 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390975 341258425 /nfs/dbraw/zinc/25/84/25/341258425.db2.gz NHHWDRWACFWZBS-VIFPVBQESA-N 1 1 301.372 -1.004 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC(CO)CO)CC1 ZINC000080450027 341273664 /nfs/dbraw/zinc/27/36/64/341273664.db2.gz ANHTWSCGPXNPNW-GFCCVEGCSA-N 1 1 302.419 -1.088 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN(C)S(C)(=O)=O)CC1 ZINC000551883959 341354053 /nfs/dbraw/zinc/35/40/53/341354053.db2.gz KKGFUZICNWGONP-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551906653 341354721 /nfs/dbraw/zinc/35/47/21/341354721.db2.gz QADPNXZFJACBLQ-LLVKDONJSA-N 1 1 317.415 -2.276 20 0 DAADMO CNC(=O)[C@H](C)CN(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000248733528 341385428 /nfs/dbraw/zinc/38/54/28/341385428.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 1 1 316.446 -1.025 20 0 DAADMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C[C@H](C)C(=O)NC ZINC000248733528 341385429 /nfs/dbraw/zinc/38/54/29/341385429.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 1 1 316.446 -1.025 20 0 DAADMO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)C(=O)NC ZINC000248733528 341385430 /nfs/dbraw/zinc/38/54/30/341385430.db2.gz LZYOVHCSMZWUDE-CLLJXQQHSA-N 1 1 316.446 -1.025 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000553177287 341419061 /nfs/dbraw/zinc/41/90/61/341419061.db2.gz UIVMPOCLHHQAOY-UHFFFAOYSA-N 1 1 313.383 -1.110 20 0 DAADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2cn[nH]c2=O)CC1 ZINC000153354948 341536544 /nfs/dbraw/zinc/53/65/44/341536544.db2.gz KGFQMVKCSRHISG-LLVKDONJSA-N 1 1 322.369 -1.664 20 0 DAADMO COC(=O)CC1([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000573447919 341728794 /nfs/dbraw/zinc/72/87/94/341728794.db2.gz FWCPUUBURUNUDZ-UHFFFAOYSA-N 1 1 324.337 -1.466 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573606223 341733340 /nfs/dbraw/zinc/73/33/40/341733340.db2.gz JVZPGVMCZRLZEL-SECBINFHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCC[NH+]1CCSCC1 ZINC000574091765 341748369 /nfs/dbraw/zinc/74/83/69/341748369.db2.gz JDQBINFJXFXHNT-UHFFFAOYSA-N 1 1 324.472 -1.110 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000576987694 341873870 /nfs/dbraw/zinc/87/38/70/341873870.db2.gz WBHYDQVLZFRYJH-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196757076 782111839 /nfs/dbraw/zinc/11/18/39/782111839.db2.gz CMVICFDITVGRDN-OPRDCNLKSA-N 1 1 323.415 -2.144 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)n2)C1 ZINC001196891667 782113656 /nfs/dbraw/zinc/11/36/56/782113656.db2.gz CCKZFQRTUPXJQG-MRVWCRGKSA-N 1 1 324.381 -1.124 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)CCCC1 ZINC001196852383 782114526 /nfs/dbraw/zinc/11/45/26/782114526.db2.gz DEYQYYRNHOFQFC-RAIGVLPGSA-N 1 1 313.398 -1.023 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc(C)n2)C1 ZINC001196891666 782114574 /nfs/dbraw/zinc/11/45/74/782114574.db2.gz CCKZFQRTUPXJQG-IACUBPJLSA-N 1 1 324.381 -1.124 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114311484 782114768 /nfs/dbraw/zinc/11/47/68/782114768.db2.gz NZOXBUDTRAGIAV-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114311484 782114773 /nfs/dbraw/zinc/11/47/73/782114773.db2.gz NZOXBUDTRAGIAV-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001196883825 782114925 /nfs/dbraw/zinc/11/49/25/782114925.db2.gz WGBTXUXYQVJHSU-MVWJERBFSA-N 1 1 301.387 -1.309 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)CC1 ZINC001196905656 782116272 /nfs/dbraw/zinc/11/62/72/782116272.db2.gz XTPXDOXLJBLUFI-HBNTYKKESA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977617 782116729 /nfs/dbraw/zinc/11/67/29/782116729.db2.gz QLNYVZLWOZPUSM-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001196898715 782115785 /nfs/dbraw/zinc/11/57/85/782115785.db2.gz MJLGRCWSXLFCME-GHMZBOCLSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001196899457 782115807 /nfs/dbraw/zinc/11/58/07/782115807.db2.gz YOFMVQDAMXVZOD-VXGBXAGGSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001196899457 782115813 /nfs/dbraw/zinc/11/58/13/782115813.db2.gz YOFMVQDAMXVZOD-VXGBXAGGSA-N 1 1 313.358 -1.747 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977914 782115882 /nfs/dbraw/zinc/11/58/82/782115882.db2.gz VWPLOTWGSSTULC-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977914 782115887 /nfs/dbraw/zinc/11/58/87/782115887.db2.gz VWPLOTWGSSTULC-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001196954000 782118251 /nfs/dbraw/zinc/11/82/51/782118251.db2.gz MTPXNFRRCILLBC-GMTAPVOTSA-N 1 1 300.359 -2.062 20 0 DAADMO COCCOCC[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001196962409 782117249 /nfs/dbraw/zinc/11/72/49/782117249.db2.gz FWLUFJBNDKWIJA-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001196954059 782117934 /nfs/dbraw/zinc/11/79/34/782117934.db2.gz PEHUSEBQKBGIEF-QJPTWQEYSA-N 1 1 314.386 -1.672 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954007 782117955 /nfs/dbraw/zinc/11/79/55/782117955.db2.gz NACNWIULNYMEPO-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001196985309 782120043 /nfs/dbraw/zinc/12/00/43/782120043.db2.gz ATPASTGKNFISMS-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001197017810 782120249 /nfs/dbraw/zinc/12/02/49/782120249.db2.gz JDIPTRKGNNIUCJ-MRVWCRGKSA-N 1 1 324.381 -1.124 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196978219 782120350 /nfs/dbraw/zinc/12/03/50/782120350.db2.gz WRPMAMKPQXABQZ-VXGBXAGGSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196978219 782120354 /nfs/dbraw/zinc/12/03/54/782120354.db2.gz WRPMAMKPQXABQZ-VXGBXAGGSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001197000726 782120693 /nfs/dbraw/zinc/12/06/93/782120693.db2.gz IUDPHLKTFYFVLW-GHMZBOCLSA-N 1 1 310.354 -1.502 20 0 DAADMO COC(=O)c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccn1 ZINC001197057225 782121700 /nfs/dbraw/zinc/12/17/00/782121700.db2.gz SPBPHUGEJIVEKK-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001197058447 782121884 /nfs/dbraw/zinc/12/18/84/782121884.db2.gz UALNDHPCHUYYHB-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001197058447 782121891 /nfs/dbraw/zinc/12/18/91/782121891.db2.gz UALNDHPCHUYYHB-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO COC(=O)c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccn1 ZINC001197057227 782122886 /nfs/dbraw/zinc/12/28/86/782122886.db2.gz SPBPHUGEJIVEKK-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 ZINC001197099537 782124181 /nfs/dbraw/zinc/12/41/81/782124181.db2.gz YEQLLWVMLKEZAH-YNEHKIRRSA-N 1 1 324.381 -1.422 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001197083063 782124330 /nfs/dbraw/zinc/12/43/30/782124330.db2.gz NEQNVZUIWBVCPA-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001197083063 782124333 /nfs/dbraw/zinc/12/43/33/782124333.db2.gz NEQNVZUIWBVCPA-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001197114541 782125960 /nfs/dbraw/zinc/12/59/60/782125960.db2.gz HKZOMIGFALBLEJ-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001197114541 782125965 /nfs/dbraw/zinc/12/59/65/782125965.db2.gz HKZOMIGFALBLEJ-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197160864 782125837 /nfs/dbraw/zinc/12/58/37/782125837.db2.gz IDNCXSSOOZYVGW-GMTAPVOTSA-N 1 1 314.346 -2.768 20 0 DAADMO COC(=O)CNC(=S)NCCC(=O)N1CC[NH+](C)CC1 ZINC001197211027 782127648 /nfs/dbraw/zinc/12/76/48/782127648.db2.gz UTAIFFUDZQQICV-UHFFFAOYSA-N 1 1 302.400 -1.212 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197277375 782128765 /nfs/dbraw/zinc/12/87/65/782128765.db2.gz FEJHZXJXEOSXSD-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197280801 782128253 /nfs/dbraw/zinc/12/82/53/782128253.db2.gz SUGBLEVNWXCPEO-JHJVBQTASA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001197280950 782129480 /nfs/dbraw/zinc/12/94/80/782129480.db2.gz WDXXMCRAFDTCDE-CHWSQXEVSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001197280950 782129487 /nfs/dbraw/zinc/12/94/87/782129487.db2.gz WDXXMCRAFDTCDE-CHWSQXEVSA-N 1 1 321.381 -1.429 20 0 DAADMO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC001197272974 782129748 /nfs/dbraw/zinc/12/97/48/782129748.db2.gz BRZLWUGFVOQKAF-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001197272974 782129752 /nfs/dbraw/zinc/12/97/52/782129752.db2.gz BRZLWUGFVOQKAF-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001197381684 782130285 /nfs/dbraw/zinc/13/02/85/782130285.db2.gz GIAXVDMZNGMSIM-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334483 782130876 /nfs/dbraw/zinc/13/08/76/782130876.db2.gz UXHIOTGIEZUAFS-JHJVBQTASA-N 1 1 324.381 -1.170 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[N@H+](C[C@H](C)O)CC1)C(N)=O ZINC001197353587 782131554 /nfs/dbraw/zinc/13/15/54/782131554.db2.gz DVVUYXAITDGAIO-JQWIXIFHSA-N 1 1 314.386 -1.718 20 0 DAADMO COC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197368106 782131829 /nfs/dbraw/zinc/13/18/29/782131829.db2.gz VODBXFILSWUUJM-JHJVBQTASA-N 1 1 304.387 -1.171 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001197387959 782132126 /nfs/dbraw/zinc/13/21/26/782132126.db2.gz HGMPJDZLSAMIDU-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197382050 782132325 /nfs/dbraw/zinc/13/23/25/782132325.db2.gz RRRNYDRUZIIUSO-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001197387495 782132521 /nfs/dbraw/zinc/13/25/21/782132521.db2.gz FCMPXCDAFGDYPN-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197536671 782133835 /nfs/dbraw/zinc/13/38/35/782133835.db2.gz ZKIPMDMOEHAQDI-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001197527721 782134274 /nfs/dbraw/zinc/13/42/74/782134274.db2.gz DXSATEDWJSMSNQ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493245 782134889 /nfs/dbraw/zinc/13/48/89/782134889.db2.gz HLQRJNUCWQKTFI-IJLUTSLNSA-N 1 1 300.403 -1.247 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC001197536550 782134955 /nfs/dbraw/zinc/13/49/55/782134955.db2.gz HCAPHDRYBKMJEX-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1O ZINC001197527659 782135192 /nfs/dbraw/zinc/13/51/92/782135192.db2.gz BEBULTGZPHFFSW-VXGBXAGGSA-N 1 1 321.443 -1.466 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001197536670 782135213 /nfs/dbraw/zinc/13/52/13/782135213.db2.gz ZKIPMDMOEHAQDI-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO COCCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC001197644746 782135978 /nfs/dbraw/zinc/13/59/78/782135978.db2.gz QVFMZUVTEKCINP-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO COCCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001197644746 782135983 /nfs/dbraw/zinc/13/59/83/782135983.db2.gz QVFMZUVTEKCINP-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197620194 782136203 /nfs/dbraw/zinc/13/62/03/782136203.db2.gz OJFTYOAAYOETNO-OLZOCXBDSA-N 1 1 307.350 -1.171 20 0 DAADMO COCCOc1ncccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001197641664 782136515 /nfs/dbraw/zinc/13/65/15/782136515.db2.gz SDOXAVPWFBBPOL-SDDRHHMPSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197627968 782137344 /nfs/dbraw/zinc/13/73/44/782137344.db2.gz YVLUKHWFPMIAOK-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1F ZINC001197667598 782138101 /nfs/dbraw/zinc/13/81/01/782138101.db2.gz XHZLRZJDFCMVJV-SRVKXCTJSA-N 1 1 323.328 -1.255 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-c3nnco3)cc2)[C@H]2NCN[C@@H]21 ZINC001197700482 782138559 /nfs/dbraw/zinc/13/85/59/782138559.db2.gz NODNLMFCMVZCRK-IJLUTSLNSA-N 1 1 315.337 -1.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197774976 782140831 /nfs/dbraw/zinc/14/08/31/782140831.db2.gz CAYLJDGHQPXLJX-YNEHKIRRSA-N 1 1 312.370 -1.869 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197812249 782140944 /nfs/dbraw/zinc/14/09/44/782140944.db2.gz JTMSNVNODPAAAU-GMTAPVOTSA-N 1 1 316.402 -1.387 20 0 DAADMO C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826474 782142524 /nfs/dbraw/zinc/14/25/24/782142524.db2.gz YPGUJMBWXFRHAC-MGPQQGTHSA-N 1 1 317.430 -1.113 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926744 782143717 /nfs/dbraw/zinc/14/37/17/782143717.db2.gz VPWLKZKKJXNRLL-YNEHKIRRSA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926744 782143725 /nfs/dbraw/zinc/14/37/25/782143725.db2.gz VPWLKZKKJXNRLL-YNEHKIRRSA-N 1 1 311.382 -1.147 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197912738 782144001 /nfs/dbraw/zinc/14/40/01/782144001.db2.gz RBXWAYQRPLQYSI-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C(C)C ZINC001197974024 782144107 /nfs/dbraw/zinc/14/41/07/782144107.db2.gz CMVIFDOIPGDWPT-JHJVBQTASA-N 1 1 301.387 -1.309 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001198003839 782144427 /nfs/dbraw/zinc/14/44/27/782144427.db2.gz JJSJLDXFECWIFM-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO CCCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197920281 782144877 /nfs/dbraw/zinc/14/48/77/782144877.db2.gz ZFKNNYHRYCFUPH-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197912788 782145287 /nfs/dbraw/zinc/14/52/87/782145287.db2.gz UQGAPGIFGXEPTJ-IJLUTSLNSA-N 1 1 301.387 -1.165 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC001198075006 782147804 /nfs/dbraw/zinc/14/78/04/782147804.db2.gz BBTOCEIDLXHZET-IACUBPJLSA-N 1 1 321.377 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001198020360 782147502 /nfs/dbraw/zinc/14/75/02/782147502.db2.gz KVSZALKVLIAXDM-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001198029262 782147681 /nfs/dbraw/zinc/14/76/81/782147681.db2.gz RTZUDCOGTDRECZ-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC001198178894 782149232 /nfs/dbraw/zinc/14/92/32/782149232.db2.gz CYOZXQLNRNLKBD-FOGDFJRCSA-N 1 1 305.400 -1.361 20 0 DAADMO C[NH+]1CCN(c2cnccc2C(=O)N[C@H](CO)C(N)=O)CC1 ZINC001198159902 782150221 /nfs/dbraw/zinc/15/02/21/782150221.db2.gz VKVLPZOTNFEGMG-LLVKDONJSA-N 1 1 307.354 -1.591 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001198134681 782150328 /nfs/dbraw/zinc/15/03/28/782150328.db2.gz YYHSIECEFUSVIQ-CYZMBNFOSA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001198298995 782153027 /nfs/dbraw/zinc/15/30/27/782153027.db2.gz UEDZOCDAGFBTFK-IJLUTSLNSA-N 1 1 311.338 -1.431 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198386209 782153392 /nfs/dbraw/zinc/15/33/92/782153392.db2.gz JCJIULMMBDCLPD-VXGBXAGGSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CNC(=O)c1cccs1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198352697 782154075 /nfs/dbraw/zinc/15/40/75/782154075.db2.gz KSJRJHOOUMGXSE-NXEZZACHSA-N 1 1 313.379 -1.369 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccn2CC(F)(F)F)[C@H]2NCN[C@@H]21 ZINC001198311340 782154348 /nfs/dbraw/zinc/15/43/48/782154348.db2.gz OFVCDJPVHCYFPH-BWZBUEFSSA-N 1 1 319.291 -1.422 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC001198326496 782153285 /nfs/dbraw/zinc/15/32/85/782153285.db2.gz GKMUKOIVFZFSDI-IUCAKERBSA-N 1 1 304.372 -1.463 20 0 DAADMO Cc1cccc(C(=O)NCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001198359539 782154769 /nfs/dbraw/zinc/15/47/69/782154769.db2.gz QSJGNZLGXXAYLK-ZIAGYGMSSA-N 1 1 321.377 -1.122 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001198501055 782155895 /nfs/dbraw/zinc/15/58/95/782155895.db2.gz RZPUTRNCDUCXQC-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001198501055 782155902 /nfs/dbraw/zinc/15/59/02/782155902.db2.gz RZPUTRNCDUCXQC-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1)OC ZINC001198490516 782155914 /nfs/dbraw/zinc/15/59/14/782155914.db2.gz XAAFSPUWKBQYSY-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001198501099 782156107 /nfs/dbraw/zinc/15/61/07/782156107.db2.gz UKYOLKZPVRGWNF-QJPTWQEYSA-N 1 1 324.381 -1.064 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336821044 521676865 /nfs/dbraw/zinc/67/68/65/521676865.db2.gz GHBVJDWCGBEHFE-LBPRGKRZSA-N 1 1 309.432 -1.449 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336821044 521676868 /nfs/dbraw/zinc/67/68/68/521676868.db2.gz GHBVJDWCGBEHFE-LBPRGKRZSA-N 1 1 309.432 -1.449 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C2)cn1 ZINC001198489775 782156819 /nfs/dbraw/zinc/15/68/19/782156819.db2.gz NDJIMTRMCWLOBZ-VXGBXAGGSA-N 1 1 324.385 -1.818 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001198489292 782156803 /nfs/dbraw/zinc/15/68/03/782156803.db2.gz CZDPFSAJUORPQG-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001198473612 782157300 /nfs/dbraw/zinc/15/73/00/782157300.db2.gz FSWQSSAUGVZMEW-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198565271 782157478 /nfs/dbraw/zinc/15/74/78/782157478.db2.gz WAEIVTMAHOZSDG-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198508209 782157500 /nfs/dbraw/zinc/15/75/00/782157500.db2.gz POQOINSOMGGJHT-IVZWLZJFSA-N 1 1 314.342 -2.482 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198508370 782157551 /nfs/dbraw/zinc/15/75/51/782157551.db2.gz ULIFHDVHMUQNTG-HBNTYKKESA-N 1 1 312.370 -1.208 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001198614178 782157624 /nfs/dbraw/zinc/15/76/24/782157624.db2.gz LTMQDISKFCMMCS-NXEZZACHSA-N 1 1 312.326 -1.271 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001198614178 782157630 /nfs/dbraw/zinc/15/76/30/782157630.db2.gz LTMQDISKFCMMCS-NXEZZACHSA-N 1 1 312.326 -1.271 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198508475 782158486 /nfs/dbraw/zinc/15/84/86/782158486.db2.gz UWAZFZGEVOKHKH-HBNTYKKESA-N 1 1 312.370 -1.064 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)no1 ZINC001198645353 782159440 /nfs/dbraw/zinc/15/94/40/782159440.db2.gz PQKNCDPPYSYJBS-FXBDTBDDSA-N 1 1 312.326 -1.536 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)no1 ZINC001198645353 782159448 /nfs/dbraw/zinc/15/94/48/782159448.db2.gz PQKNCDPPYSYJBS-FXBDTBDDSA-N 1 1 312.326 -1.536 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654217 782159176 /nfs/dbraw/zinc/15/91/76/782159176.db2.gz PKHAVYJMIKLRAF-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001198508281 782158078 /nfs/dbraw/zinc/15/80/78/782158078.db2.gz RKYRRWDAYBUITD-QJPTWQEYSA-N 1 1 324.381 -1.064 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198508364 782158203 /nfs/dbraw/zinc/15/82/03/782158203.db2.gz ULIFHDVHMUQNTG-GMTAPVOTSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198586605 782158411 /nfs/dbraw/zinc/15/84/11/782158411.db2.gz COSHWCRJNWKQJL-GMTAPVOTSA-N 1 1 301.387 -1.309 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198706335 782161272 /nfs/dbraw/zinc/16/12/72/782161272.db2.gz FOHPAWRVFJULFG-HBNTYKKESA-N 1 1 321.399 -2.124 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198736511 782161494 /nfs/dbraw/zinc/16/14/94/782161494.db2.gz VUORJIBTISDXCS-IJLUTSLNSA-N 1 1 301.387 -1.308 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001198713461 782161775 /nfs/dbraw/zinc/16/17/75/782161775.db2.gz CHPRYCRUODIWCR-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001198713461 782161778 /nfs/dbraw/zinc/16/17/78/782161778.db2.gz CHPRYCRUODIWCR-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1O ZINC001198722383 782161930 /nfs/dbraw/zinc/16/19/30/782161930.db2.gz NZMKQFXDRYTGID-GHMZBOCLSA-N 1 1 305.400 -1.337 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1O ZINC001198722383 782161935 /nfs/dbraw/zinc/16/19/35/782161935.db2.gz NZMKQFXDRYTGID-GHMZBOCLSA-N 1 1 305.400 -1.337 20 0 DAADMO CCOC(=O)C[C@@H](O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000339277442 520846029 /nfs/dbraw/zinc/84/60/29/520846029.db2.gz VWFGCZBEBSXGDU-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001198722135 782162524 /nfs/dbraw/zinc/16/25/24/782162524.db2.gz KJMXUYZTCVATJE-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)NCC[N@@H+](C)CCOC ZINC000339322045 521678779 /nfs/dbraw/zinc/67/87/79/521678779.db2.gz YWACDWFCOFYXGU-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)CNS(=O)(=O)NC)CC1 ZINC000339248678 521679606 /nfs/dbraw/zinc/67/96/06/521679606.db2.gz KRZFBUFHIGVUNQ-UHFFFAOYSA-N 1 1 321.447 -1.816 20 0 DAADMO CCOCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000339453111 521709938 /nfs/dbraw/zinc/70/99/38/521709938.db2.gz OHWHXMRSZKSWMX-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COC[C@@H](O)CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000338454042 522409914 /nfs/dbraw/zinc/40/99/14/522409914.db2.gz CTFZPKPUTGXRAH-RYUDHWBXSA-N 1 1 316.402 -1.120 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336842039 522788722 /nfs/dbraw/zinc/78/87/22/522788722.db2.gz QPUJKKOJHDTEIL-ZDUSSCGKSA-N 1 1 323.459 -1.107 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(=O)n2CC2CC2)[C@H]2NCN[C@H]21 ZINC001198803557 782162937 /nfs/dbraw/zinc/16/29/37/782162937.db2.gz MMEZKGNLMQVAPF-BFHYXJOUSA-N 1 1 318.381 -1.609 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CC(C)(CO)CO)cn1 ZINC000336841676 522870858 /nfs/dbraw/zinc/87/08/58/522870858.db2.gz PIZLNLKDWAFXFH-UHFFFAOYSA-N 1 1 320.415 -1.379 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CC(C)(CO)CO)cn1 ZINC000336841676 522870863 /nfs/dbraw/zinc/87/08/63/522870863.db2.gz PIZLNLKDWAFXFH-UHFFFAOYSA-N 1 1 320.415 -1.379 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336833899 522920448 /nfs/dbraw/zinc/92/04/48/522920448.db2.gz HETNCMVXBBWDNB-LBPRGKRZSA-N 1 1 309.432 -1.497 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336833899 522920462 /nfs/dbraw/zinc/92/04/62/522920462.db2.gz HETNCMVXBBWDNB-LBPRGKRZSA-N 1 1 309.432 -1.497 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCCC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336860564 523014896 /nfs/dbraw/zinc/01/48/96/523014896.db2.gz SCHQSWVBDBPWHR-ZIAGYGMSSA-N 1 1 315.414 -1.405 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(CC3CC3)c(=O)c2)[C@@H]2NCN[C@H]21 ZINC001198780320 782163006 /nfs/dbraw/zinc/16/30/06/782163006.db2.gz AUCYUEWNDXSYAW-MJBXVCDLSA-N 1 1 318.381 -1.609 20 0 DAADMO CC[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1C[C@H](C)O ZINC000247114192 523273127 /nfs/dbraw/zinc/27/31/27/523273127.db2.gz JELVBXHLIBLWGO-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[NH+]2CCSCC2)C1=O ZINC000264931584 523679694 /nfs/dbraw/zinc/67/96/94/523679694.db2.gz SLELBHLEKUSCHL-UHFFFAOYSA-N 1 1 314.367 -1.428 20 0 DAADMO COCC[NH+]1CCN(C(=O)Cn2cc(C(=O)OC)nn2)CC1 ZINC000267073791 523842777 /nfs/dbraw/zinc/84/27/77/523842777.db2.gz ZPTRUJAILUAUGR-UHFFFAOYSA-N 1 1 311.342 -1.145 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2CC(=O)NC2=O)CC1 ZINC000265448094 523869278 /nfs/dbraw/zinc/86/92/78/523869278.db2.gz CDTIHPLMPYGCCW-UHFFFAOYSA-N 1 1 311.342 -2.182 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000338249748 523869430 /nfs/dbraw/zinc/86/94/30/523869430.db2.gz GFMKDCATIOGVHN-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(=O)n2CC2CC2)[C@@H]2NCN[C@H]21 ZINC001198803566 782163249 /nfs/dbraw/zinc/16/32/49/782163249.db2.gz MMEZKGNLMQVAPF-MJBXVCDLSA-N 1 1 318.381 -1.609 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000337235092 524077328 /nfs/dbraw/zinc/07/73/28/524077328.db2.gz BPJRCVJFNYOIQX-SECBINFHSA-N 1 1 321.403 -1.663 20 0 DAADMO Cc1nc2ncccn2c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001198755910 782163285 /nfs/dbraw/zinc/16/32/85/782163285.db2.gz HLNDVFSLELIRLM-INTQDDNPSA-N 1 1 302.342 -1.830 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198762447 782163423 /nfs/dbraw/zinc/16/34/23/782163423.db2.gz VARCSNURFASDBO-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198762447 782163430 /nfs/dbraw/zinc/16/34/30/782163430.db2.gz VARCSNURFASDBO-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)N(C)C ZINC000337324898 525059631 /nfs/dbraw/zinc/05/96/31/525059631.db2.gz UUHVONRNIJMDKL-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000247383450 525767176 /nfs/dbraw/zinc/76/71/76/525767176.db2.gz WEBXZLWTZUVLQY-NEPJUHHUSA-N 1 1 310.398 -1.029 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)CCNS(=O)(=O)c1cnn(C)c1 ZINC000336841919 525787297 /nfs/dbraw/zinc/78/72/97/525787297.db2.gz SOTJHOSPOXMSNQ-SNVBAGLBSA-N 1 1 306.388 -1.627 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CC[C@H](C)O ZINC000245448008 526190360 /nfs/dbraw/zinc/19/03/60/526190360.db2.gz MNAMLIFTKKABGZ-DTWKUNHWSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC[C@H](C)O ZINC000245448008 526190364 /nfs/dbraw/zinc/19/03/64/526190364.db2.gz MNAMLIFTKKABGZ-DTWKUNHWSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339486401 526204688 /nfs/dbraw/zinc/20/46/88/526204688.db2.gz HANZFCQDLKKWEG-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO O=C(NCCCn1ccnn1)C(=O)NCCC[NH+]1CCOCC1 ZINC000339489516 526291252 /nfs/dbraw/zinc/29/12/52/526291252.db2.gz CZSCZBXADHECNU-UHFFFAOYSA-N 1 1 324.385 -1.377 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198761742 782164150 /nfs/dbraw/zinc/16/41/50/782164150.db2.gz MDSWMKSGZXGJRG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198761743 782164159 /nfs/dbraw/zinc/16/41/59/782164159.db2.gz MDXVTVJSXMEZJK-NXEZZACHSA-N 1 1 323.415 -2.142 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198761743 782164162 /nfs/dbraw/zinc/16/41/62/782164162.db2.gz MDXVTVJSXMEZJK-NXEZZACHSA-N 1 1 323.415 -2.142 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001198871226 782164743 /nfs/dbraw/zinc/16/47/43/782164743.db2.gz UYSMJVWDFAZWNI-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC000128696301 527487087 /nfs/dbraw/zinc/48/70/87/527487087.db2.gz ZGLWTUPUSCIEDE-UHFFFAOYSA-N 1 1 301.372 -1.528 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H]2NCN[C@H]21 ZINC001152510578 782165388 /nfs/dbraw/zinc/16/53/88/782165388.db2.gz GYWYWOFBBLDBRZ-DJLDLDEBSA-N 1 1 323.382 -2.518 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(=O)n(CC3CC3)c2)[C@H]2NCN[C@@H]21 ZINC001198920757 782165662 /nfs/dbraw/zinc/16/56/62/782165662.db2.gz CIUBJZCXCOICOS-MGPQQGTHSA-N 1 1 318.381 -1.609 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H]2NCN[C@@H]21 ZINC001152510579 782165727 /nfs/dbraw/zinc/16/57/27/782165727.db2.gz GYWYWOFBBLDBRZ-HLTSFMKQSA-N 1 1 323.382 -2.518 20 0 DAADMO CCN(CC)C(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198950267 782166663 /nfs/dbraw/zinc/16/66/63/782166663.db2.gz NOUQDAUSDUQPBY-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001198975552 782166675 /nfs/dbraw/zinc/16/66/75/782166675.db2.gz NWCWUXAZTKMABK-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001199011355 782167285 /nfs/dbraw/zinc/16/72/85/782167285.db2.gz LICNUGNXTRZHQS-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001198983608 782167212 /nfs/dbraw/zinc/16/72/12/782167212.db2.gz ZEYQQYLKDGIKGL-GHMZBOCLSA-N 1 1 307.416 -1.162 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(C3CCC3)c2)[C@@H]2NCN[C@H]21 ZINC001198981470 782167699 /nfs/dbraw/zinc/16/76/99/782167699.db2.gz SYWRBZGHCJJYTR-TUAOUCFPSA-N 1 1 319.369 -1.899 20 0 DAADMO CCOCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199010636 782167804 /nfs/dbraw/zinc/16/78/04/782167804.db2.gz DDJXRTWXVNKNKT-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001199043586 782167908 /nfs/dbraw/zinc/16/79/08/782167908.db2.gz XVMFLRCCQGXWCL-HBNTYKKESA-N 1 1 316.402 -1.110 20 0 DAADMO CC[N@H+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000286568919 535668969 /nfs/dbraw/zinc/66/89/69/535668969.db2.gz PMBRMOWIBGLCFF-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353503041 536156017 /nfs/dbraw/zinc/15/60/17/536156017.db2.gz SVGGYKSXOWXKQZ-WDEREUQCSA-N 1 1 313.402 -1.752 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](CO)C1 ZINC000340576605 536779157 /nfs/dbraw/zinc/77/91/57/536779157.db2.gz NIGQJEJZMXKPGV-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCn2ncnc2C1 ZINC000340571685 536779955 /nfs/dbraw/zinc/77/99/55/536779955.db2.gz HINUDMLYZYUZDO-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnoc2C(F)(F)F)[C@@H]2NCN[C@H]21 ZINC001199061584 782168938 /nfs/dbraw/zinc/16/89/38/782168938.db2.gz QQBBJKUQXLDVQG-ARDNSNSESA-N 1 1 306.248 -1.174 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668261987 545642028 /nfs/dbraw/zinc/64/20/28/545642028.db2.gz DDOWEHSURWTAPR-REWJHTLYSA-N 1 1 314.382 -1.374 20 0 DAADMO C[C@H](CNC(=O)[C@@H](CO)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242647 545643707 /nfs/dbraw/zinc/64/37/07/545643707.db2.gz CQXBQQDAMZXBFR-CHWFTXMASA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@H](CNC(=O)[C@@H](CO)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242647 545643710 /nfs/dbraw/zinc/64/37/10/545643710.db2.gz CQXBQQDAMZXBFR-CHWFTXMASA-N 1 1 302.375 -1.371 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001110526743 782168944 /nfs/dbraw/zinc/16/89/44/782168944.db2.gz WUBUZZUOEXOZIZ-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000668378445 545645307 /nfs/dbraw/zinc/64/53/07/545645307.db2.gz QUPALQMYWVCMMA-UHFFFAOYSA-N 1 1 308.386 -1.120 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000668360244 545645556 /nfs/dbraw/zinc/64/55/56/545645556.db2.gz XBLOYHUCJXNFRN-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000078778384 545648276 /nfs/dbraw/zinc/64/82/76/545648276.db2.gz HFSZQVCINMHTPI-UHFFFAOYSA-N 1 1 304.416 -1.662 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001110526743 782168947 /nfs/dbraw/zinc/16/89/47/782168947.db2.gz WUBUZZUOEXOZIZ-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668537898 545654368 /nfs/dbraw/zinc/65/43/68/545654368.db2.gz SDZJEXAZANGQNI-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO Cn1cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000668535480 545654704 /nfs/dbraw/zinc/65/47/04/545654704.db2.gz ARAVDNNOBLYXES-CYBMUJFWSA-N 1 1 308.382 -1.010 20 0 DAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)[C@@H]2CCOC2)CC1 ZINC000329506992 545660083 /nfs/dbraw/zinc/66/00/83/545660083.db2.gz HPWOAQAVVYESES-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO Cn1c(NC[C@H]2C[N@@H+](C)CCN2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000329487742 545660669 /nfs/dbraw/zinc/66/06/69/545660669.db2.gz RLRFWUASDREILD-VIFPVBQESA-N 1 1 321.385 -0.970 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668786882 545662156 /nfs/dbraw/zinc/66/21/56/545662156.db2.gz JKIBPHOMFHBWEK-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000407998870 545666655 /nfs/dbraw/zinc/66/66/55/545666655.db2.gz SPWDGDQXYYDGQE-WDEREUQCSA-N 1 1 304.416 -1.017 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408033333 545669451 /nfs/dbraw/zinc/66/94/51/545669451.db2.gz KTRPKEASQMVSKQ-QWRGUYRKSA-N 1 1 307.354 -1.861 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408033334 545669903 /nfs/dbraw/zinc/66/99/03/545669903.db2.gz KTRPKEASQMVSKQ-WDEREUQCSA-N 1 1 307.354 -1.861 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710004 545676528 /nfs/dbraw/zinc/67/65/28/545676528.db2.gz DGLFTYWRRZETOX-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)O1 ZINC000651046689 545677635 /nfs/dbraw/zinc/67/76/35/545677635.db2.gz HXIGRYUOFUBHJR-PHIMTYICSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000669102959 545680995 /nfs/dbraw/zinc/68/09/95/545680995.db2.gz LESNCKHRQSUORF-JTQLQIEISA-N 1 1 300.359 -1.924 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636767274 545683188 /nfs/dbraw/zinc/68/31/88/545683188.db2.gz GBQOKXGMKYFNMM-NSHDSACASA-N 1 1 319.431 -1.825 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000408297038 545685704 /nfs/dbraw/zinc/68/57/04/545685704.db2.gz HPBCBRDKBWDKLS-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C[C@@H]21 ZINC000671815953 545688696 /nfs/dbraw/zinc/68/86/96/545688696.db2.gz AIKDCVQXNPAXOY-FPMFFAJLSA-N 1 1 322.409 -1.119 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000671817225 545690257 /nfs/dbraw/zinc/69/02/57/545690257.db2.gz FTBRAEXGTFHMFM-GXTWGEPZSA-N 1 1 322.409 -1.118 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342746655 545694161 /nfs/dbraw/zinc/69/41/61/545694161.db2.gz GTIHLLXJQCRBKB-MRVPVSSYSA-N 1 1 312.342 -1.421 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000647970164 545698000 /nfs/dbraw/zinc/69/80/00/545698000.db2.gz FTAZOVYNRKNHHN-STQMWFEESA-N 1 1 323.459 -1.061 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000647970163 545698477 /nfs/dbraw/zinc/69/84/77/545698477.db2.gz FTAZOVYNRKNHHN-QWHCGFSZSA-N 1 1 323.459 -1.061 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000331296677 545704308 /nfs/dbraw/zinc/70/43/08/545704308.db2.gz TYBLHZGXTDTWOC-NEPJUHHUSA-N 1 1 301.387 -1.259 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000343894365 545708078 /nfs/dbraw/zinc/70/80/78/545708078.db2.gz RSRUTSHSBLRZNQ-NNUHMIRASA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000343894365 545708087 /nfs/dbraw/zinc/70/80/87/545708087.db2.gz RSRUTSHSBLRZNQ-NNUHMIRASA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCn2ccnn2)C1 ZINC000343909179 545709016 /nfs/dbraw/zinc/70/90/16/545709016.db2.gz KEZWEABKCFYZMI-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC000343894812 545709481 /nfs/dbraw/zinc/70/94/81/545709481.db2.gz SQDMKVMSWYLZQO-LLVKDONJSA-N 1 1 322.369 -1.543 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCOCCO)C1 ZINC000343899346 545710047 /nfs/dbraw/zinc/71/00/47/545710047.db2.gz ANDZECQMGRORLM-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOC(=O)C(NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000344374366 545711403 /nfs/dbraw/zinc/71/14/03/545711403.db2.gz SNODDHMTLNDLLT-SECBINFHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cc(S(N)(=O)=O)cn1)C1CC1 ZINC000344481656 545713764 /nfs/dbraw/zinc/71/37/64/545713764.db2.gz PDBZTGANFHLIJR-UHFFFAOYSA-N 1 1 301.372 -1.259 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347344774 545717932 /nfs/dbraw/zinc/71/79/32/545717932.db2.gz SFNUBUBHICRHIM-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO O=C1NC[C@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000329216686 545719262 /nfs/dbraw/zinc/71/92/62/545719262.db2.gz OXUSPFLZDRTLQS-RWMBFGLXSA-N 1 1 308.382 -1.508 20 0 DAADMO O=C1NC[C@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000329216686 545719267 /nfs/dbraw/zinc/71/92/67/545719267.db2.gz OXUSPFLZDRTLQS-RWMBFGLXSA-N 1 1 308.382 -1.508 20 0 DAADMO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000167412237 545721199 /nfs/dbraw/zinc/72/11/99/545721199.db2.gz IQOLDIQYAPGZLL-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3ncn(C)c3=O)[C@H]2C1 ZINC000329532840 545721273 /nfs/dbraw/zinc/72/12/73/545721273.db2.gz KBMKHJZHPFGUTQ-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO O=C(C(=O)N1CCN(CC[C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000331556077 545724674 /nfs/dbraw/zinc/72/46/74/545724674.db2.gz APRVMZQOFPQZGM-CQSZACIVSA-N 1 1 324.425 -1.011 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000330175727 545725114 /nfs/dbraw/zinc/72/51/14/545725114.db2.gz JJBTVONQNVYOID-ZDUSSCGKSA-N 1 1 308.386 -1.247 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000330175727 545725117 /nfs/dbraw/zinc/72/51/17/545725117.db2.gz JJBTVONQNVYOID-ZDUSSCGKSA-N 1 1 308.386 -1.247 20 0 DAADMO O=C(C(=O)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000331556071 545725286 /nfs/dbraw/zinc/72/52/86/545725286.db2.gz APRVMZQOFPQZGM-AWEZNQCLSA-N 1 1 324.425 -1.011 20 0 DAADMO CC(=O)NC1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000331498529 545725415 /nfs/dbraw/zinc/72/54/15/545725415.db2.gz YPLNERODVAUDMI-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC(O)C1 ZINC000330090663 545725458 /nfs/dbraw/zinc/72/54/58/545725458.db2.gz XARPXEZNAAAMDF-ZDUSSCGKSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332094375 545728999 /nfs/dbraw/zinc/72/89/99/545728999.db2.gz OQFPJKLADCHYDZ-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000352993998 545735897 /nfs/dbraw/zinc/73/58/97/545735897.db2.gz UPFZUWOTJLJJBO-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000352993998 545735903 /nfs/dbraw/zinc/73/59/03/545735903.db2.gz UPFZUWOTJLJJBO-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)C1 ZINC000357964668 545737763 /nfs/dbraw/zinc/73/77/63/545737763.db2.gz PCDQUXXTMMZBTB-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)C[NH+]1CCOCC1 ZINC000357984994 545738912 /nfs/dbraw/zinc/73/89/12/545738912.db2.gz BILYZQKFWFMJKE-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000358067138 545739250 /nfs/dbraw/zinc/73/92/50/545739250.db2.gz OZOKVTCBYMBNMY-AWEZNQCLSA-N 1 1 305.338 -1.321 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC000357984925 545740158 /nfs/dbraw/zinc/74/01/58/545740158.db2.gz BCMLYQZHSQVWSP-LLVKDONJSA-N 1 1 312.370 -1.971 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000339806802 545741827 /nfs/dbraw/zinc/74/18/27/545741827.db2.gz CETKSCFFQNUCHS-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000339806802 545741833 /nfs/dbraw/zinc/74/18/33/545741833.db2.gz CETKSCFFQNUCHS-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358198692 545742420 /nfs/dbraw/zinc/74/24/20/545742420.db2.gz PXLXTKYLBPFKRZ-SNVBAGLBSA-N 1 1 321.399 -1.334 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358198692 545742423 /nfs/dbraw/zinc/74/24/23/545742423.db2.gz PXLXTKYLBPFKRZ-SNVBAGLBSA-N 1 1 321.399 -1.334 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362650107 545743610 /nfs/dbraw/zinc/74/36/10/545743610.db2.gz SVWYVALPDXGLCK-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826075 545746605 /nfs/dbraw/zinc/74/66/05/545746605.db2.gz LHYXFOLSQDZPOO-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362830742 545746971 /nfs/dbraw/zinc/74/69/71/545746971.db2.gz MJBGNJHJANCQBP-LLVKDONJSA-N 1 1 309.370 -1.566 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000363003535 545747017 /nfs/dbraw/zinc/74/70/17/545747017.db2.gz MLBKHOYXVGFCCB-NXEZZACHSA-N 1 1 324.337 -1.614 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)C(=O)C1=O ZINC000368007944 545749485 /nfs/dbraw/zinc/74/94/85/545749485.db2.gz HAINEYJETQYBJB-SECBINFHSA-N 1 1 318.324 -1.257 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCCN(C)S(C)(=O)=O ZINC000681112832 545753499 /nfs/dbraw/zinc/75/34/99/545753499.db2.gz JUQIYWMLEBSSQD-UHFFFAOYSA-N 1 1 324.447 -1.119 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671163575 545758931 /nfs/dbraw/zinc/75/89/31/545758931.db2.gz OGHCLDAYHRTDEJ-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671163575 545758936 /nfs/dbraw/zinc/75/89/36/545758936.db2.gz OGHCLDAYHRTDEJ-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1=O ZINC000359954972 545763145 /nfs/dbraw/zinc/76/31/45/545763145.db2.gz GGLVCGCFSHAHOB-RYUDHWBXSA-N 1 1 322.365 -1.474 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1=O ZINC000359954971 545763627 /nfs/dbraw/zinc/76/36/27/545763627.db2.gz GGLVCGCFSHAHOB-NWDGAFQWSA-N 1 1 322.365 -1.474 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419365507 545766466 /nfs/dbraw/zinc/76/64/66/545766466.db2.gz XMKLWVHAWQKFER-VXGBXAGGSA-N 1 1 300.403 -1.205 20 0 DAADMO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000419721354 545767078 /nfs/dbraw/zinc/76/70/78/545767078.db2.gz GWYTZNLYINARAY-ZDUSSCGKSA-N 1 1 312.414 -1.101 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419702776 545767544 /nfs/dbraw/zinc/76/75/44/545767544.db2.gz BYPJGTOSSOUXJG-AGIUHOORSA-N 1 1 312.414 -1.063 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000419444193 545768998 /nfs/dbraw/zinc/76/89/98/545768998.db2.gz CCEXTMQQLLBVLF-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000419444193 545769005 /nfs/dbraw/zinc/76/90/05/545769005.db2.gz CCEXTMQQLLBVLF-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N1 ZINC000665934318 545769945 /nfs/dbraw/zinc/76/99/45/545769945.db2.gz HRGXPZMQRXEKAS-LBPRGKRZSA-N 1 1 318.381 -1.007 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000444383056 545780995 /nfs/dbraw/zinc/78/09/95/545780995.db2.gz QGVRQHZPGUGPPJ-NQBHXWOUSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CCC[N@H+]1C ZINC000458653296 545784463 /nfs/dbraw/zinc/78/44/63/545784463.db2.gz OAMMZKYLVSJVAZ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000458068465 545784540 /nfs/dbraw/zinc/78/45/40/545784540.db2.gz KWYXGQMEYKTVNK-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001199104775 782169025 /nfs/dbraw/zinc/16/90/25/782169025.db2.gz SFFMTLIJFPKEBG-JHJVBQTASA-N 1 1 312.414 -1.234 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCNCC3=O)C2)CC1 ZINC000645978261 545789747 /nfs/dbraw/zinc/78/97/47/545789747.db2.gz ZYJAJKHQUGRSDG-CYBMUJFWSA-N 1 1 323.441 -1.297 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3CCNCC3=O)C2)CC1 ZINC000645978261 545789751 /nfs/dbraw/zinc/78/97/51/545789751.db2.gz ZYJAJKHQUGRSDG-CYBMUJFWSA-N 1 1 323.441 -1.297 20 0 DAADMO CS(=O)(=O)NC1CC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000669925602 545790855 /nfs/dbraw/zinc/79/08/55/545790855.db2.gz FTMZATUPFKVNQY-HTAVTVPLSA-N 1 1 316.427 -1.427 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405335642 545797590 /nfs/dbraw/zinc/79/75/90/545797590.db2.gz ZCTQESRSGLCIHB-NWDGAFQWSA-N 1 1 317.349 -1.227 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n(CC(C)C)n1 ZINC001199094165 782169125 /nfs/dbraw/zinc/16/91/25/782169125.db2.gz PXNWLYNXUICGTA-AVGNSLFASA-N 1 1 307.402 -1.020 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001199103710 782169134 /nfs/dbraw/zinc/16/91/34/782169134.db2.gz CCHGZRNIDSYJFI-VXGBXAGGSA-N 1 1 310.402 -1.183 20 0 DAADMO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321289 545802256 /nfs/dbraw/zinc/80/22/56/545802256.db2.gz SHJDLZWTVKLPKX-MCIONIFRSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cccn1)[C@H]1C[N@H+](C)CCO1 ZINC000671352861 545809606 /nfs/dbraw/zinc/80/96/06/545809606.db2.gz RBOOXICHBRTVQX-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cccn1)[C@H]1C[N@@H+](C)CCO1 ZINC000671352861 545809611 /nfs/dbraw/zinc/80/96/11/545809611.db2.gz RBOOXICHBRTVQX-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cccn1)[C@H]1C[N@H+](C)CCO1 ZINC000671352857 545809801 /nfs/dbraw/zinc/80/98/01/545809801.db2.gz RBOOXICHBRTVQX-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cccn1)[C@H]1C[N@@H+](C)CCO1 ZINC000671352857 545809804 /nfs/dbraw/zinc/80/98/04/545809804.db2.gz RBOOXICHBRTVQX-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025331 545810867 /nfs/dbraw/zinc/81/08/67/545810867.db2.gz HFZZPDAHOUCJCB-XQHKEYJVSA-N 1 1 310.398 -1.622 20 0 DAADMO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025654 545811562 /nfs/dbraw/zinc/81/15/62/545811562.db2.gz PEJVQURBVTZJOY-UONOGXRCSA-N 1 1 322.409 -1.310 20 0 DAADMO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656022340 545811856 /nfs/dbraw/zinc/81/18/56/545811856.db2.gz WSRBVTPQOYFIBL-QNWHQSFQSA-N 1 1 310.398 -1.350 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(=O)N1C ZINC000656076309 545813482 /nfs/dbraw/zinc/81/34/82/545813482.db2.gz BXTVHSSLFGSPPZ-GRYCIOLGSA-N 1 1 324.381 -2.047 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656069782 545813515 /nfs/dbraw/zinc/81/35/15/545813515.db2.gz PERHEADETXIIDA-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068136 545813712 /nfs/dbraw/zinc/81/37/12/545813712.db2.gz PNVOSKOVSYOLMR-GARJFASQSA-N 1 1 310.354 -2.389 20 0 DAADMO C[C@H]1OCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C ZINC000656072362 545814116 /nfs/dbraw/zinc/81/41/16/545814116.db2.gz LXVXCAQFLUBGKT-QNWHQSFQSA-N 1 1 311.382 -1.100 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCn2cncc2C1 ZINC000656088439 545815019 /nfs/dbraw/zinc/81/50/19/545815019.db2.gz KLURRJXVBWVZTQ-WCQYABFASA-N 1 1 319.365 -1.497 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N(CCO)CC(F)F ZINC000656080060 545815246 /nfs/dbraw/zinc/81/52/46/545815246.db2.gz WOBRJVFVSMEQLG-VHSXEESVSA-N 1 1 321.324 -1.650 20 0 DAADMO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656081376 545815367 /nfs/dbraw/zinc/81/53/67/545815367.db2.gz DXOPXSFLQRUEEK-UONOGXRCSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656081376 545815370 /nfs/dbraw/zinc/81/53/70/545815370.db2.gz DXOPXSFLQRUEEK-UONOGXRCSA-N 1 1 324.425 -1.184 20 0 DAADMO C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078410 545815930 /nfs/dbraw/zinc/81/59/30/545815930.db2.gz BQSLQLXFYBHQQY-RWSFTLGLSA-N 1 1 324.381 -2.012 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000656103971 545816596 /nfs/dbraw/zinc/81/65/96/545816596.db2.gz DOIMYUPAOATABB-XJFOESAGSA-N 1 1 322.409 -1.526 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000656104347 545816897 /nfs/dbraw/zinc/81/68/97/545816897.db2.gz OJTUYCSTDSUESN-RQJABVFESA-N 1 1 322.409 -1.526 20 0 DAADMO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656103610 545816935 /nfs/dbraw/zinc/81/69/35/545816935.db2.gz AFCVGIZXGHMSSG-MELADBBJSA-N 1 1 324.425 -1.278 20 0 DAADMO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656103609 545817251 /nfs/dbraw/zinc/81/72/51/545817251.db2.gz AFCVGIZXGHMSSG-HZSPNIEDSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000656104348 545817461 /nfs/dbraw/zinc/81/74/61/545817461.db2.gz OJTUYCSTDSUESN-XJFOESAGSA-N 1 1 322.409 -1.526 20 0 DAADMO CCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104658 545817612 /nfs/dbraw/zinc/81/76/12/545817612.db2.gz TZWGTCZNVFCFFQ-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO CCC[C@@H]1CNCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104658 545817617 /nfs/dbraw/zinc/81/76/17/545817617.db2.gz TZWGTCZNVFCFFQ-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104158 545817780 /nfs/dbraw/zinc/81/77/80/545817780.db2.gz IVIOZDMNUDUNEI-FPMFFAJLSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+] ZINC000656104578 545817863 /nfs/dbraw/zinc/81/78/63/545817863.db2.gz RCIKFIVOHQVXRY-FQUUOJAGSA-N 1 1 324.425 -1.150 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC000656104022 545817917 /nfs/dbraw/zinc/81/79/17/545817917.db2.gz FVEBITPXSOFBGU-XJFOESAGSA-N 1 1 324.425 -1.150 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000656104021 545818046 /nfs/dbraw/zinc/81/80/46/545818046.db2.gz FVEBITPXSOFBGU-RQJABVFESA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(NCCCn1ccnc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283378 545818067 /nfs/dbraw/zinc/81/80/67/545818067.db2.gz YMFJPVUDBXPTOL-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000656104345 545818082 /nfs/dbraw/zinc/81/80/82/545818082.db2.gz OJTUYCSTDSUESN-IGQOVBAYSA-N 1 1 322.409 -1.526 20 0 DAADMO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104564 545818244 /nfs/dbraw/zinc/81/82/44/545818244.db2.gz QMYWRZQTBLYIDR-UONOGXRCSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(NCCOCC1CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656304964 545819307 /nfs/dbraw/zinc/81/93/07/545819307.db2.gz LJYPZNUSIKCVPX-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH]n1 ZINC000656314013 545820124 /nfs/dbraw/zinc/82/01/24/545820124.db2.gz XVPGXGVLWLHBBZ-NWDGAFQWSA-N 1 1 307.354 -1.388 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000656314013 545820128 /nfs/dbraw/zinc/82/01/28/545820128.db2.gz XVPGXGVLWLHBBZ-NWDGAFQWSA-N 1 1 307.354 -1.388 20 0 DAADMO Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000656314013 545820134 /nfs/dbraw/zinc/82/01/34/545820134.db2.gz XVPGXGVLWLHBBZ-NWDGAFQWSA-N 1 1 307.354 -1.388 20 0 DAADMO Cn1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000656317285 545820729 /nfs/dbraw/zinc/82/07/29/545820729.db2.gz YHPOJLSXQDHUSK-QWHCGFSZSA-N 1 1 306.366 -1.081 20 0 DAADMO C[C@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOC1 ZINC000656313424 545820815 /nfs/dbraw/zinc/82/08/15/545820815.db2.gz QUXANEKKSIVVQX-YWPYICTPSA-N 1 1 311.382 -1.193 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000657509003 545823889 /nfs/dbraw/zinc/82/38/89/545823889.db2.gz FWVDRBBQTJRUKQ-UHFFFAOYSA-N 1 1 301.387 -1.258 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000657509003 545823894 /nfs/dbraw/zinc/82/38/94/545823894.db2.gz FWVDRBBQTJRUKQ-UHFFFAOYSA-N 1 1 301.387 -1.258 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375980 545824467 /nfs/dbraw/zinc/82/44/67/545824467.db2.gz NTCNDBGRDOLVDI-YVECIDJPSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375980 545824475 /nfs/dbraw/zinc/82/44/75/545824475.db2.gz NTCNDBGRDOLVDI-YVECIDJPSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375980 545824479 /nfs/dbraw/zinc/82/44/79/545824479.db2.gz NTCNDBGRDOLVDI-YVECIDJPSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670406847 545826404 /nfs/dbraw/zinc/82/64/04/545826404.db2.gz FAXUDQWQEKVCPP-WDEREUQCSA-N 1 1 304.416 -1.570 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670409149 545827366 /nfs/dbraw/zinc/82/73/66/545827366.db2.gz GJZKSLDZCFUSHJ-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000670408813 545827649 /nfs/dbraw/zinc/82/76/49/545827649.db2.gz XOGYMWJOGWDXAP-NSHDSACASA-N 1 1 309.370 -1.614 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](C)C1 ZINC000658805793 545836267 /nfs/dbraw/zinc/83/62/67/545836267.db2.gz ZDEDSEBDSGVYNA-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658805793 545836272 /nfs/dbraw/zinc/83/62/72/545836272.db2.gz ZDEDSEBDSGVYNA-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000658779814 545836482 /nfs/dbraw/zinc/83/64/82/545836482.db2.gz WNQGRYGRQKUWAE-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000658785593 545836568 /nfs/dbraw/zinc/83/65/68/545836568.db2.gz OWCCCJMMZVGDBI-QWHCGFSZSA-N 1 1 310.398 -1.716 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CCN1CCC2 ZINC000662908133 545839442 /nfs/dbraw/zinc/83/94/42/545839442.db2.gz ZEEOJLPRUBJLEP-UONOGXRCSA-N 1 1 323.441 -1.249 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000666921494 545857772 /nfs/dbraw/zinc/85/77/72/545857772.db2.gz WYNJBNWGHDAHPW-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000672597233 545863012 /nfs/dbraw/zinc/86/30/12/545863012.db2.gz HDUGBBDWQBZFOK-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1COCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596696 545863862 /nfs/dbraw/zinc/86/38/62/545863862.db2.gz VUPMGWHRZXLCRH-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000672596406 545863949 /nfs/dbraw/zinc/86/39/49/545863949.db2.gz KJLKWBWCPOUOSH-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1ccnn1)[C@H]1C[N@H+](C)CCO1 ZINC000672962239 545865050 /nfs/dbraw/zinc/86/50/50/545865050.db2.gz TYVKOADWJXAHHR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1ccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC000672962239 545865054 /nfs/dbraw/zinc/86/50/54/545865054.db2.gz TYVKOADWJXAHHR-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000673037981 545865634 /nfs/dbraw/zinc/86/56/34/545865634.db2.gz APESRLOSIJYOCW-UHFFFAOYSA-N 1 1 322.431 -1.366 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000673854867 545866452 /nfs/dbraw/zinc/86/64/52/545866452.db2.gz BMRVSDZROLGDSJ-NSHDSACASA-N 1 1 319.427 -1.101 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NCCCN1CCCCCC1=O ZINC000674306456 545867967 /nfs/dbraw/zinc/86/79/67/545867967.db2.gz ZXFRZDVLOKUMAD-BETUJISGSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NCCCN1CCCCCC1=O ZINC000674306456 545867970 /nfs/dbraw/zinc/86/79/70/545867970.db2.gz ZXFRZDVLOKUMAD-BETUJISGSA-N 1 1 313.398 -1.067 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCCS(N)(=O)=O)CCN2C1=O ZINC000674469240 545868038 /nfs/dbraw/zinc/86/80/38/545868038.db2.gz YPZMKNNSMVYMSL-SECBINFHSA-N 1 1 304.372 -1.367 20 0 DAADMO CCN1C(=O)[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)CCN2C1=O ZINC000674595545 545868966 /nfs/dbraw/zinc/86/89/66/545868966.db2.gz VCFUVIPPYQKLOL-GFCCVEGCSA-N 1 1 323.397 -1.271 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676242006 545870347 /nfs/dbraw/zinc/87/03/47/545870347.db2.gz LTAYLZPHUSZNKM-UWVGGRQHSA-N 1 1 308.404 -1.446 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242006 545870351 /nfs/dbraw/zinc/87/03/51/545870351.db2.gz LTAYLZPHUSZNKM-UWVGGRQHSA-N 1 1 308.404 -1.446 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000675326037 545871159 /nfs/dbraw/zinc/87/11/59/545871159.db2.gz VJAAFHMHRQKNPR-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@H](NC(=O)CN1CCCS1(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676257758 545872098 /nfs/dbraw/zinc/87/20/98/545872098.db2.gz JJFDDMDHKRQCJH-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](NC(=O)CN1CCCS1(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257758 545872103 /nfs/dbraw/zinc/87/21/03/545872103.db2.gz JJFDDMDHKRQCJH-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000677862174 545874866 /nfs/dbraw/zinc/87/48/66/545874866.db2.gz DCOWBJCJBNXVFX-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CC(C)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)NS(C)(=O)=O ZINC000677887199 545874874 /nfs/dbraw/zinc/87/48/74/545874874.db2.gz CJJFIEFSJPRTBS-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO CS(=O)(=O)NCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081130 545877652 /nfs/dbraw/zinc/87/76/52/545877652.db2.gz OGAYMFSXSRXMAM-GFCCVEGCSA-N 1 1 318.443 -1.050 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1=O ZINC000679306709 545878355 /nfs/dbraw/zinc/87/83/55/545878355.db2.gz RJMGOAVMSOXVOT-LBPRGKRZSA-N 1 1 322.413 -1.134 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1=O ZINC000679306709 545878359 /nfs/dbraw/zinc/87/83/59/545878359.db2.gz RJMGOAVMSOXVOT-LBPRGKRZSA-N 1 1 322.413 -1.134 20 0 DAADMO CN(CC(=O)NC[C@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000679372702 545879756 /nfs/dbraw/zinc/87/97/56/545879756.db2.gz AHOAJXRHPPIPPR-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000679762738 545881445 /nfs/dbraw/zinc/88/14/45/545881445.db2.gz HTLKMYPTZGAFRR-SRVKXCTJSA-N 1 1 314.386 -1.138 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000679762738 545881448 /nfs/dbraw/zinc/88/14/48/545881448.db2.gz HTLKMYPTZGAFRR-SRVKXCTJSA-N 1 1 314.386 -1.138 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000680827577 545883036 /nfs/dbraw/zinc/88/30/36/545883036.db2.gz GRPQKBVRLISHJH-LBPRGKRZSA-N 1 1 314.367 -1.475 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC(CO)CO)CC1=O ZINC000680452067 545883239 /nfs/dbraw/zinc/88/32/39/545883239.db2.gz XNKKLJDNHGDNKX-YPMHNXCESA-N 1 1 313.398 -1.211 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(N)(=O)=O)nc2)C1 ZINC000680827576 545883412 /nfs/dbraw/zinc/88/34/12/545883412.db2.gz GRPQKBVRLISHJH-GFCCVEGCSA-N 1 1 314.367 -1.475 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC(CO)CO)CC1=O ZINC000680452063 545883473 /nfs/dbraw/zinc/88/34/73/545883473.db2.gz XNKKLJDNHGDNKX-AAEUAGOBSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@H](NC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)C(=O)N(C)C ZINC000682035213 545885817 /nfs/dbraw/zinc/88/58/17/545885817.db2.gz UJTNNMQAUJJNQQ-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)S(C)(=O)=O ZINC000682007624 545885881 /nfs/dbraw/zinc/88/58/81/545885881.db2.gz IYUJTJDUFKGLAA-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682007496 545886064 /nfs/dbraw/zinc/88/60/64/545886064.db2.gz DZKIXMDBTUTKRE-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682007496 545886068 /nfs/dbraw/zinc/88/60/68/545886068.db2.gz DZKIXMDBTUTKRE-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000682280544 545887451 /nfs/dbraw/zinc/88/74/51/545887451.db2.gz DSLIJQJXNHQMEA-PHIMTYICSA-N 1 1 317.305 -1.230 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685336202 545893267 /nfs/dbraw/zinc/89/32/67/545893267.db2.gz LZQQBBPGEMPSAQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336202 545893270 /nfs/dbraw/zinc/89/32/70/545893270.db2.gz LZQQBBPGEMPSAQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561143 545893809 /nfs/dbraw/zinc/89/38/09/545893809.db2.gz GILNGXWPLXNTHD-ZDUSSCGKSA-N 1 1 320.459 -1.135 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000685340914 545893819 /nfs/dbraw/zinc/89/38/19/545893819.db2.gz LARYIRXKNKQKBS-WDEREUQCSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340914 545893824 /nfs/dbraw/zinc/89/38/24/545893824.db2.gz LARYIRXKNKQKBS-WDEREUQCSA-N 1 1 322.369 -1.544 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001110526742 782169459 /nfs/dbraw/zinc/16/94/59/782169459.db2.gz WUBUZZUOEXOZIZ-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001110526742 782169469 /nfs/dbraw/zinc/16/94/69/782169469.db2.gz WUBUZZUOEXOZIZ-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001110526672 782169552 /nfs/dbraw/zinc/16/95/52/782169552.db2.gz SZWHAJRUQUEPSQ-WYUUTHIRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001110526672 782169560 /nfs/dbraw/zinc/16/95/60/782169560.db2.gz SZWHAJRUQUEPSQ-WYUUTHIRSA-N 1 1 323.397 -1.085 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnoc2C(F)(F)F)[C@H]2NCN[C@@H]21 ZINC001199061590 782170114 /nfs/dbraw/zinc/17/01/14/782170114.db2.gz QQBBJKUQXLDVQG-LPBLVHEISA-N 1 1 306.248 -1.174 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111752 782171418 /nfs/dbraw/zinc/17/14/18/782171418.db2.gz KOFKTVQABIVYCT-IJLUTSLNSA-N 1 1 300.403 -1.248 20 0 DAADMO COCCOc1cnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001199130504 782171568 /nfs/dbraw/zinc/17/15/68/782171568.db2.gz FSUSTOLPHPZXKM-WOPDTQHZSA-N 1 1 323.357 -2.366 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001199146848 782172142 /nfs/dbraw/zinc/17/21/42/782172142.db2.gz XOAQVDGFTKYKMG-ZYHUDNBSSA-N 1 1 312.370 -1.465 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001199219853 782173114 /nfs/dbraw/zinc/17/31/14/782173114.db2.gz XHRLYFBRXBZQLO-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001199197763 782173645 /nfs/dbraw/zinc/17/36/45/782173645.db2.gz DFBMKYJSMUYAQN-JFGNBEQYSA-N 1 1 323.357 -2.366 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cnc1=O ZINC001199249577 782174129 /nfs/dbraw/zinc/17/41/29/782174129.db2.gz DSAQOIVPUJLHCJ-DCAQKATOSA-N 1 1 307.358 -2.043 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(OC(F)F)n2)[C@@H]2NCN[C@H]21 ZINC001199306768 782174631 /nfs/dbraw/zinc/17/46/31/782174631.db2.gz DXCYGBRUPQEAJZ-AEJSXWLSSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(OC(F)F)c2)[C@@H]2NCN[C@H]21 ZINC001199300435 782174674 /nfs/dbraw/zinc/17/46/74/782174674.db2.gz QSOWRZHWRXMCLD-AEJSXWLSSA-N 1 1 314.296 -1.184 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cnc1=O ZINC001199249582 782174758 /nfs/dbraw/zinc/17/47/58/782174758.db2.gz DSAQOIVPUJLHCJ-VWYCJHECSA-N 1 1 307.358 -2.043 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(OC(F)F)c2)[C@H]2NCN[C@@H]21 ZINC001199300443 782174834 /nfs/dbraw/zinc/17/48/34/782174834.db2.gz QSOWRZHWRXMCLD-OPRDCNLKSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(CC(F)(F)F)cn2)[C@@H]2NCN[C@H]21 ZINC001199397165 782175924 /nfs/dbraw/zinc/17/59/24/782175924.db2.gz HVNSXYVBTYMEPZ-YIZRAAEISA-N 1 1 319.291 -1.422 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001199353931 782176855 /nfs/dbraw/zinc/17/68/55/782176855.db2.gz KQWLMJRUDUFELV-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001199323560 782176952 /nfs/dbraw/zinc/17/69/52/782176952.db2.gz GWXMOUMURSLBRR-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199429253 782177411 /nfs/dbraw/zinc/17/74/11/782177411.db2.gz JBXHENVIRUHPMU-GHMZBOCLSA-N 1 1 303.359 -2.188 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001199405695 782177922 /nfs/dbraw/zinc/17/79/22/782177922.db2.gz JLQUQLPXCRKJBR-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001199429989 782178262 /nfs/dbraw/zinc/17/82/62/782178262.db2.gz SBONLHDXEKTBML-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001199439577 782179700 /nfs/dbraw/zinc/17/97/00/782179700.db2.gz SQLQYSDJPSZXGH-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199475585 782180987 /nfs/dbraw/zinc/18/09/87/782180987.db2.gz WNDYISOHCYORNU-YNEHKIRRSA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199474981 782181542 /nfs/dbraw/zinc/18/15/42/782181542.db2.gz SCLAGKCQRPFLMQ-UTUOFQBUSA-N 1 1 315.370 -2.175 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506618 782181682 /nfs/dbraw/zinc/18/16/82/782181682.db2.gz TXNIDCYHRRMEDQ-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC3CCC3)ncn2)[C@H]2NCN[C@@H]21 ZINC001199477290 782181788 /nfs/dbraw/zinc/18/17/88/782181788.db2.gz KUXCQWRTHIURFP-JHJVBQTASA-N 1 1 319.369 -1.459 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199506612 782181794 /nfs/dbraw/zinc/18/17/94/782181794.db2.gz TXNIDCYHRRMEDQ-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001199566847 782182958 /nfs/dbraw/zinc/18/29/58/782182958.db2.gz FWMSQLGLJNIQDF-GMTAPVOTSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001199551592 782183098 /nfs/dbraw/zinc/18/30/98/782183098.db2.gz SWVSIYPBYURSGP-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO NS(=O)(=O)CCCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199634014 782183472 /nfs/dbraw/zinc/18/34/72/782183472.db2.gz OPUXWKPIXJJLCJ-GHMZBOCLSA-N 1 1 323.415 -2.011 20 0 DAADMO CCOCC(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001199752688 782185322 /nfs/dbraw/zinc/18/53/22/782185322.db2.gz IBEFFSZYIYUONI-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001199717305 782185559 /nfs/dbraw/zinc/18/55/59/782185559.db2.gz VARPJUVQYCBVFZ-CYBMUJFWSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001199715083 782185599 /nfs/dbraw/zinc/18/55/99/782185599.db2.gz AXGNFYNVINUNGS-ZDUSSCGKSA-N 1 1 324.385 -1.342 20 0 DAADMO NC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001199811473 782186056 /nfs/dbraw/zinc/18/60/56/782186056.db2.gz OTRFXXLQCPKKCZ-JTQLQIEISA-N 1 1 312.330 -1.555 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCC(=O)[O-])C1 ZINC000820025180 597762335 /nfs/dbraw/zinc/76/23/35/597762335.db2.gz ZBMFRJFCZPLJMP-VIFPVBQESA-N 1 1 302.331 -1.205 20 0 DAADMO O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000823698392 606199584 /nfs/dbraw/zinc/19/95/84/606199584.db2.gz PRBBNURLYZNINP-WCFLWFBJSA-N 1 1 321.337 -1.356 20 0 DAADMO C[NH+](C)[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 ZINC000821579724 607208989 /nfs/dbraw/zinc/20/89/89/607208989.db2.gz LTTNOMKPSZUVNL-VIFPVBQESA-N 1 1 305.346 -1.085 20 0 DAADMO C[C@@H]1CC[N@H+](CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000820722820 607220592 /nfs/dbraw/zinc/22/05/92/607220592.db2.gz PKKJQUARKYSDEH-SECBINFHSA-N 1 1 305.346 -1.084 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000820722820 607220593 /nfs/dbraw/zinc/22/05/93/607220593.db2.gz PKKJQUARKYSDEH-SECBINFHSA-N 1 1 305.346 -1.084 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050642242 678724947 /nfs/dbraw/zinc/72/49/47/678724947.db2.gz DKYHKZMKWXIOLV-UHFFFAOYSA-N 1 1 303.384 -1.559 20 0 DAADMO OC[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1O ZINC001199941547 782188499 /nfs/dbraw/zinc/18/84/99/782188499.db2.gz PNKBQEHMXVPXJB-VXGBXAGGSA-N 1 1 303.428 -1.132 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000901175476 662780859 /nfs/dbraw/zinc/78/08/59/662780859.db2.gz PUYDSIIVGSGPFL-CKYFFXLPSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000901175476 662780861 /nfs/dbraw/zinc/78/08/61/662780861.db2.gz PUYDSIIVGSGPFL-CKYFFXLPSA-N 1 1 305.400 -1.408 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@@H](CO)C1 ZINC000912750626 663155490 /nfs/dbraw/zinc/15/54/90/663155490.db2.gz HVTVUXAZHQYIMZ-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@@H](CO)C1 ZINC000912750626 663155491 /nfs/dbraw/zinc/15/54/91/663155491.db2.gz HVTVUXAZHQYIMZ-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913191428 663156593 /nfs/dbraw/zinc/15/65/93/663156593.db2.gz RLPNWDUMBVFRMD-ZYHUDNBSSA-N 1 1 303.384 -1.625 20 0 DAADMO CN1CCC[C@H](C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922114023 663622337 /nfs/dbraw/zinc/62/23/37/663622337.db2.gz PJWOLXCJZBLIJU-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC000922121064 663622793 /nfs/dbraw/zinc/62/27/93/663622793.db2.gz ATZDJUGVSDDICW-GFCCVEGCSA-N 1 1 319.427 -1.035 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000923470334 663697690 /nfs/dbraw/zinc/69/76/90/663697690.db2.gz LTZJSGGEAWUUTB-SNVBAGLBSA-N 1 1 305.404 -1.520 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[N@H+](C)C1CC1 ZINC000788389627 663799503 /nfs/dbraw/zinc/79/95/03/663799503.db2.gz GEAHRPLCYVEWJT-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC000788389627 663799513 /nfs/dbraw/zinc/79/95/13/663799513.db2.gz GEAHRPLCYVEWJT-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCS(C)(=O)=O ZINC000788390970 663831544 /nfs/dbraw/zinc/83/15/44/663831544.db2.gz DKDLMWVLBIWTLG-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCS(C)(=O)=O ZINC000788390970 663831546 /nfs/dbraw/zinc/83/15/46/663831546.db2.gz DKDLMWVLBIWTLG-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO CCO[C@@H](CNC(=O)C1(OC)CS(=O)(=O)C1)C[NH+](C)C ZINC000831695561 663873332 /nfs/dbraw/zinc/87/33/32/663873332.db2.gz MXJULTRLJFKFDC-JTQLQIEISA-N 1 1 308.400 -1.117 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000881811189 663957108 /nfs/dbraw/zinc/95/71/08/663957108.db2.gz NBNQXYXTXFHHKE-UHFFFAOYSA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888986445 663977722 /nfs/dbraw/zinc/97/77/22/663977722.db2.gz HCURDSSBIUYHMT-UHFFFAOYSA-N 1 1 306.432 -1.416 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888991222 663977797 /nfs/dbraw/zinc/97/77/97/663977797.db2.gz TYLZLOSQEUCTNS-NSHDSACASA-N 1 1 306.432 -1.370 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929246867 663988189 /nfs/dbraw/zinc/98/81/89/663988189.db2.gz VDBABSLYCFXTAC-NSHDSACASA-N 1 1 307.416 -1.314 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C1(O)CCOCC1 ZINC000929282249 663988194 /nfs/dbraw/zinc/98/81/94/663988194.db2.gz UIUOVJXYSJXSKQ-LBPRGKRZSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)C1(O)CCOCC1 ZINC000929282249 663988196 /nfs/dbraw/zinc/98/81/96/663988196.db2.gz UIUOVJXYSJXSKQ-LBPRGKRZSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C1(OC)CS(=O)(=O)C1 ZINC000930215664 663991053 /nfs/dbraw/zinc/99/10/53/663991053.db2.gz WVPLXVUJDYHFRQ-UHFFFAOYSA-N 1 1 308.400 -1.116 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949238889 662305270 /nfs/dbraw/zinc/30/52/70/662305270.db2.gz NQESAASCSULVAD-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949238889 662305274 /nfs/dbraw/zinc/30/52/74/662305274.db2.gz NQESAASCSULVAD-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000969117901 662305335 /nfs/dbraw/zinc/30/53/35/662305335.db2.gz YEKMILVMIATYDJ-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)c1=O ZINC000969142884 662305872 /nfs/dbraw/zinc/30/58/72/662305872.db2.gz GJCJKILXBBUYLU-SNVBAGLBSA-N 1 1 320.357 -1.899 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947368830 662305958 /nfs/dbraw/zinc/30/59/58/662305958.db2.gz BGDIJNHKRPGKLL-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947368828 662306155 /nfs/dbraw/zinc/30/61/55/662306155.db2.gz BGDIJNHKRPGKLL-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000969143161 662306173 /nfs/dbraw/zinc/30/61/73/662306173.db2.gz PCZBARHAJWJNDA-LLVKDONJSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000969187197 662307237 /nfs/dbraw/zinc/30/72/37/662307237.db2.gz HLEOHZAGULMQEE-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCNC3=O)C2)n1 ZINC000969193609 662307361 /nfs/dbraw/zinc/30/73/61/662307361.db2.gz JBQZASJLPXCOPX-LLVKDONJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191303 662307902 /nfs/dbraw/zinc/30/79/02/662307902.db2.gz WNGHWSFGJKTGRK-AXFHLTTASA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191304 662307936 /nfs/dbraw/zinc/30/79/36/662307936.db2.gz WNGHWSFGJKTGRK-MXWKQRLJSA-N 1 1 308.338 -1.072 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000947370489 662308164 /nfs/dbraw/zinc/30/81/64/662308164.db2.gz UKEDSBJYQNXNTN-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000947370486 662308478 /nfs/dbraw/zinc/30/84/78/662308478.db2.gz UKEDSBJYQNXNTN-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO COc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)nn1C ZINC000969283552 662310103 /nfs/dbraw/zinc/31/01/03/662310103.db2.gz GNMMEDQOPKJEJJ-SECBINFHSA-N 1 1 320.357 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001020466958 662311644 /nfs/dbraw/zinc/31/16/44/662311644.db2.gz WSXZAXKASMGHRR-ZYUZMQFOSA-N 1 1 307.358 -1.542 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001020469082 662312144 /nfs/dbraw/zinc/31/21/44/662312144.db2.gz LJVXLGGKHNEMGO-GMTAPVOTSA-N 1 1 321.385 -1.044 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001020471141 662312191 /nfs/dbraw/zinc/31/21/91/662312191.db2.gz WRADHGFACFGUAX-IWSPIJDZSA-N 1 1 308.346 -2.030 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001020471140 662312450 /nfs/dbraw/zinc/31/24/50/662312450.db2.gz WRADHGFACFGUAX-CIUDSAMLSA-N 1 1 308.346 -2.030 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001020478133 662313063 /nfs/dbraw/zinc/31/30/63/662313063.db2.gz BARCNRMZZKBWST-ZKCHVHJHSA-N 1 1 322.329 -1.210 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)n1 ZINC000969400485 662314237 /nfs/dbraw/zinc/31/42/37/662314237.db2.gz JOZVJPDPOKYRKD-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001020501636 662314347 /nfs/dbraw/zinc/31/43/47/662314347.db2.gz OGGQCRDVIANPAP-OPRDCNLKSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969410167 662314727 /nfs/dbraw/zinc/31/47/27/662314727.db2.gz OHYBMRVLIVUKAT-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)c1nccnc1N)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969425089 662314977 /nfs/dbraw/zinc/31/49/77/662314977.db2.gz VXOOXUORUIHMIM-WCBMZHEXSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001020528146 662315422 /nfs/dbraw/zinc/31/54/22/662315422.db2.gz FKJGSPUJKMREDB-NNYUYHANSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001020528145 662315530 /nfs/dbraw/zinc/31/55/30/662315530.db2.gz FKJGSPUJKMREDB-FIQHERPVSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020530827 662316066 /nfs/dbraw/zinc/31/60/66/662316066.db2.gz IFFHDFTYVYDOEI-OPRDCNLKSA-N 1 1 322.373 -1.328 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000969441000 662317482 /nfs/dbraw/zinc/31/74/82/662317482.db2.gz WBMGKJIGMSBRPH-NOZJJQNGSA-N 1 1 307.358 -1.573 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1O ZINC000969527932 662320663 /nfs/dbraw/zinc/32/06/63/662320663.db2.gz ZYSHARBIGCJNAM-KKOKHZNYSA-N 1 1 324.381 -1.953 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969545688 662321831 /nfs/dbraw/zinc/32/18/31/662321831.db2.gz FZUKUIKCAKUJTH-SECBINFHSA-N 1 1 321.341 -1.531 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500709 662321895 /nfs/dbraw/zinc/32/18/95/662321895.db2.gz XGCJUOYEHQVLSF-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500709 662321898 /nfs/dbraw/zinc/32/18/98/662321898.db2.gz XGCJUOYEHQVLSF-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000969546139 662321988 /nfs/dbraw/zinc/32/19/88/662321988.db2.gz RPLYJIIUPWNGTI-BDAKNGLRSA-N 1 1 306.326 -1.278 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000969579585 662322629 /nfs/dbraw/zinc/32/26/29/662322629.db2.gz YQAXISNHTFBAHC-GHMZBOCLSA-N 1 1 321.385 -1.090 20 0 DAADMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000949291830 662323348 /nfs/dbraw/zinc/32/33/48/662323348.db2.gz YAGDTXCVRIMMHR-GFCCVEGCSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000969626714 662323927 /nfs/dbraw/zinc/32/39/27/662323927.db2.gz YKAGFTUCZRRAJC-JGVFFNPUSA-N 1 1 306.334 -1.701 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC000969626212 662324093 /nfs/dbraw/zinc/32/40/93/662324093.db2.gz RODDUNHZJDQTQS-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000969637229 662324104 /nfs/dbraw/zinc/32/41/04/662324104.db2.gz HSNVIROTJHGVEN-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC000969625287 662324281 /nfs/dbraw/zinc/32/42/81/662324281.db2.gz JYOISOARTIRADV-MRVPVSSYSA-N 1 1 318.345 -1.464 20 0 DAADMO COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048852 662324805 /nfs/dbraw/zinc/32/48/05/662324805.db2.gz BNGIYFHMBZBSAI-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048852 662324810 /nfs/dbraw/zinc/32/48/10/662324810.db2.gz BNGIYFHMBZBSAI-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000969673518 662324832 /nfs/dbraw/zinc/32/48/32/662324832.db2.gz AJHQGMNXHUJMAL-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC000969743233 662325773 /nfs/dbraw/zinc/32/57/73/662325773.db2.gz ANUSGNIZPPRJKS-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000969746764 662326865 /nfs/dbraw/zinc/32/68/65/662326865.db2.gz NUMPNJCGTDFGIC-UTLUCORTSA-N 1 1 310.358 -1.554 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)[NH+](C)C ZINC000969746764 662326868 /nfs/dbraw/zinc/32/68/68/662326868.db2.gz NUMPNJCGTDFGIC-UTLUCORTSA-N 1 1 310.358 -1.554 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969746516 662327376 /nfs/dbraw/zinc/32/73/76/662327376.db2.gz LMEKIWCVVAPOPZ-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969746516 662327380 /nfs/dbraw/zinc/32/73/80/662327380.db2.gz LMEKIWCVVAPOPZ-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969746516 662327384 /nfs/dbraw/zinc/32/73/84/662327384.db2.gz LMEKIWCVVAPOPZ-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969746516 662327386 /nfs/dbraw/zinc/32/73/86/662327386.db2.gz LMEKIWCVVAPOPZ-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969746516 662327390 /nfs/dbraw/zinc/32/73/90/662327390.db2.gz LMEKIWCVVAPOPZ-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001020580900 662328493 /nfs/dbraw/zinc/32/84/93/662328493.db2.gz KVDPFTREGGRGPZ-JRKPZEMJSA-N 1 1 307.358 -1.527 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)c1nnnn1C ZINC001020597132 662332706 /nfs/dbraw/zinc/33/27/06/662332706.db2.gz BWTYPEBLCGABEF-IGORNWKESA-N 1 1 307.358 -1.371 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001020596113 662332715 /nfs/dbraw/zinc/33/27/15/662332715.db2.gz ASTPANNJLQJUFO-KYXWUPHJSA-N 1 1 322.369 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969881033 662333739 /nfs/dbraw/zinc/33/37/39/662333739.db2.gz LOMBONJFWPGMIE-NXEZZACHSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969861282 662333779 /nfs/dbraw/zinc/33/37/79/662333779.db2.gz JEDOKOZAYXMGAZ-BDAKNGLRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCC(=O)N1 ZINC001020611672 662333791 /nfs/dbraw/zinc/33/37/91/662333791.db2.gz OCZPGPSONXWMFT-GWOFURMSSA-N 1 1 321.385 -1.138 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969881035 662333902 /nfs/dbraw/zinc/33/39/02/662333902.db2.gz LOMBONJFWPGMIE-VHSXEESVSA-N 1 1 321.381 -1.035 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001020647081 662334894 /nfs/dbraw/zinc/33/48/94/662334894.db2.gz GSCWRHLIXCZZLT-FXQIFTODSA-N 1 1 322.329 -2.455 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000969930586 662334932 /nfs/dbraw/zinc/33/49/32/662334932.db2.gz HRYMPNFCZRRQPB-KXUCPTDWSA-N 1 1 323.357 -2.067 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccncn3)[C@@H](O)C2)C1 ZINC000969973503 662335435 /nfs/dbraw/zinc/33/54/35/662335435.db2.gz UDQVJOIBAAOKCO-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969969976 662335497 /nfs/dbraw/zinc/33/54/97/662335497.db2.gz KXTBGBXBEDUCAF-IEBDPFPHSA-N 1 1 319.369 -1.180 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000969999125 662337529 /nfs/dbraw/zinc/33/75/29/662337529.db2.gz IAQVLTIJYAKAEV-MNOVXSKESA-N 1 1 320.309 -1.424 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970012710 662338278 /nfs/dbraw/zinc/33/82/78/662338278.db2.gz GXBDHAUURWRAPW-MNOVXSKESA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970012710 662338284 /nfs/dbraw/zinc/33/82/84/662338284.db2.gz GXBDHAUURWRAPW-MNOVXSKESA-N 1 1 320.353 -1.267 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC000970079097 662340805 /nfs/dbraw/zinc/34/08/05/662340805.db2.gz ZASRLDXNMYUERS-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)C1CC(=O)NC(=O)C1 ZINC001020745878 662341453 /nfs/dbraw/zinc/34/14/53/662341453.db2.gz XGYMEPWFUXZFJP-KYZUINATSA-N 1 1 307.310 -1.141 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001020744466 662341771 /nfs/dbraw/zinc/34/17/71/662341771.db2.gz WQICRCOPYTWOMX-IWSPIJDZSA-N 1 1 305.346 -1.050 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001020765236 662342013 /nfs/dbraw/zinc/34/20/13/662342013.db2.gz VVMAUDHMZWJTIR-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001020764226 662342194 /nfs/dbraw/zinc/34/21/94/662342194.db2.gz GUSFJBODMJIYDO-KYZUINATSA-N 1 1 321.341 -1.896 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020764963 662342271 /nfs/dbraw/zinc/34/22/71/662342271.db2.gz RTHWURDDWPEIPZ-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)N1CCNC(=O)C1 ZINC001020781426 662342565 /nfs/dbraw/zinc/34/25/65/662342565.db2.gz JGRGLGSXCHHVMZ-KYZUINATSA-N 1 1 321.341 -2.387 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)N1CCNC(=O)C1 ZINC001020781426 662342568 /nfs/dbraw/zinc/34/25/68/662342568.db2.gz JGRGLGSXCHHVMZ-KYZUINATSA-N 1 1 321.341 -2.387 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000970118695 662343339 /nfs/dbraw/zinc/34/33/39/662343339.db2.gz GHNFUFKASULOEM-ZJUUUORDSA-N 1 1 318.337 -1.235 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001020950740 662345272 /nfs/dbraw/zinc/34/52/72/662345272.db2.gz IWHSOBSSUKGKCB-KYXWUPHJSA-N 1 1 307.358 -1.214 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001020950743 662345439 /nfs/dbraw/zinc/34/54/39/662345439.db2.gz IWHSOBSSUKGKCB-XKNYDFJKSA-N 1 1 307.358 -1.214 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020948602 662345500 /nfs/dbraw/zinc/34/55/00/662345500.db2.gz GVLPUSYYAFUQPE-SRVKXCTJSA-N 1 1 321.385 -1.042 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970177645 662346564 /nfs/dbraw/zinc/34/65/64/662346564.db2.gz ZEPQIMJWMMZJEB-IUCAKERBSA-N 1 1 307.354 -1.296 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001021023254 662347573 /nfs/dbraw/zinc/34/75/73/662347573.db2.gz AQQOUBRAVUZEJD-MGCOHNPYSA-N 1 1 318.337 -1.235 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001021024138 662348143 /nfs/dbraw/zinc/34/81/43/662348143.db2.gz YNMUFHPNKMSMEF-MGCOHNPYSA-N 1 1 307.310 -1.037 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970185769 662348716 /nfs/dbraw/zinc/34/87/16/662348716.db2.gz VNGXUPXVGCKVOY-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000970190450 662349197 /nfs/dbraw/zinc/34/91/97/662349197.db2.gz MVAFEVDDNYOUHC-WXPRMRQPSA-N 1 1 322.409 -1.229 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000970190449 662349232 /nfs/dbraw/zinc/34/92/32/662349232.db2.gz MVAFEVDDNYOUHC-VIHGGKNESA-N 1 1 322.409 -1.229 20 0 DAADMO CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970195026 662349243 /nfs/dbraw/zinc/34/92/43/662349243.db2.gz LTJVRJVSQOZYQW-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039154648 662349617 /nfs/dbraw/zinc/34/96/17/662349617.db2.gz CMYOLCVIKPIFTF-NSHDSACASA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039154648 662349619 /nfs/dbraw/zinc/34/96/19/662349619.db2.gz CMYOLCVIKPIFTF-NSHDSACASA-N 1 1 321.385 -1.244 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001021065412 662351841 /nfs/dbraw/zinc/35/18/41/662351841.db2.gz FSMGXNPSRHXCCC-NRPADANISA-N 1 1 315.355 -1.502 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001021094632 662353656 /nfs/dbraw/zinc/35/36/56/662353656.db2.gz WFGUBCGBTFNOIG-ZKCHVHJHSA-N 1 1 320.313 -1.803 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001039156135 662353710 /nfs/dbraw/zinc/35/37/10/662353710.db2.gz YVRFTVMUANSOIW-RYUDHWBXSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)nn1 ZINC001021093436 662353779 /nfs/dbraw/zinc/35/37/79/662353779.db2.gz CGWJYTAGOAOXFE-MGCOHNPYSA-N 1 1 319.325 -1.198 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970256543 662354631 /nfs/dbraw/zinc/35/46/31/662354631.db2.gz NGEOEYVUJVIINR-XVKPBYJWSA-N 1 1 320.353 -1.032 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970255077 662354730 /nfs/dbraw/zinc/35/47/30/662354730.db2.gz PYSSTMTUOQPSHE-SECBINFHSA-N 1 1 307.310 -1.187 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970265591 662355388 /nfs/dbraw/zinc/35/53/88/662355388.db2.gz RHJQATWQARVOJD-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970269545 662355577 /nfs/dbraw/zinc/35/55/77/662355577.db2.gz ADQLIMMSTADGIC-JOYOIKCWSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970272178 662356424 /nfs/dbraw/zinc/35/64/24/662356424.db2.gz AYNUPEFNUNWHCO-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3nnn(C)n3)C2)C1=O ZINC000970288859 662356584 /nfs/dbraw/zinc/35/65/84/662356584.db2.gz YEYPHULYZIBKFL-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970286778 662356831 /nfs/dbraw/zinc/35/68/31/662356831.db2.gz DOUXSSUMYXBMHK-VIFPVBQESA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000970287748 662356947 /nfs/dbraw/zinc/35/69/47/662356947.db2.gz LGDGPJOGZHCDRZ-IUCAKERBSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970287830 662356984 /nfs/dbraw/zinc/35/69/84/662356984.db2.gz MJVFYEMTWNPIEJ-DTWKUNHWSA-N 1 1 321.385 -1.073 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970284966 662357001 /nfs/dbraw/zinc/35/70/01/662357001.db2.gz GPQWDLPERJTFIW-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000970295216 662357398 /nfs/dbraw/zinc/35/73/98/662357398.db2.gz IXHRRXOLFHPUMN-SECBINFHSA-N 1 1 318.341 -1.069 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970292729 662357682 /nfs/dbraw/zinc/35/76/82/662357682.db2.gz NQIYTWIZLFOLHE-PWSUYJOCSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC000970326169 662358061 /nfs/dbraw/zinc/35/80/61/662358061.db2.gz XCWNJWHUTKDYHP-NXEZZACHSA-N 1 1 320.361 -1.462 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCCn2ccc(=O)[nH]c2=O)C1 ZINC000890925268 662358467 /nfs/dbraw/zinc/35/84/67/662358467.db2.gz JEVFNNOVXOEWTA-UHFFFAOYSA-N 1 1 323.397 -1.051 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021148653 662358577 /nfs/dbraw/zinc/35/85/77/662358577.db2.gz LJWWPKFNUNWTSZ-CIUDSAMLSA-N 1 1 307.310 -1.141 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970355142 662359717 /nfs/dbraw/zinc/35/97/17/662359717.db2.gz WWDWAIPLZXXESH-KOLCDFICSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021219400 662360296 /nfs/dbraw/zinc/36/02/96/662360296.db2.gz LDIKLGMNTMJWFA-PSEXLTFBSA-N 1 1 310.398 -1.086 20 0 DAADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970359524 662360677 /nfs/dbraw/zinc/36/06/77/662360677.db2.gz TVCTZMRDLAXDFC-GZMMTYOYSA-N 1 1 309.370 -1.617 20 0 DAADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000890988425 662361675 /nfs/dbraw/zinc/36/16/75/662361675.db2.gz OQCVMOHJSWUZID-UTUOFQBUSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000890988425 662361677 /nfs/dbraw/zinc/36/16/77/662361677.db2.gz OQCVMOHJSWUZID-UTUOFQBUSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](CO)C1 ZINC000890988426 662361801 /nfs/dbraw/zinc/36/18/01/662361801.db2.gz OQCVMOHJSWUZID-WOPDTQHZSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](CO)C1 ZINC000890988426 662361803 /nfs/dbraw/zinc/36/18/03/662361803.db2.gz OQCVMOHJSWUZID-WOPDTQHZSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](CO)C1 ZINC000890988423 662361971 /nfs/dbraw/zinc/36/19/71/662361971.db2.gz OQCVMOHJSWUZID-GRYCIOLGSA-N 1 1 315.370 -1.118 20 0 DAADMO CCOC(=O)N1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](CO)C1 ZINC000890988423 662361974 /nfs/dbraw/zinc/36/19/74/662361974.db2.gz OQCVMOHJSWUZID-GRYCIOLGSA-N 1 1 315.370 -1.118 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010667871 662362753 /nfs/dbraw/zinc/36/27/53/662362753.db2.gz KKZXIHSOMXODSO-SNVBAGLBSA-N 1 1 308.342 -1.594 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010667871 662362759 /nfs/dbraw/zinc/36/27/59/662362759.db2.gz KKZXIHSOMXODSO-SNVBAGLBSA-N 1 1 308.342 -1.594 20 0 DAADMO Cn1cnn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001021305037 662363186 /nfs/dbraw/zinc/36/31/86/662363186.db2.gz OVVURKBYVSCZCJ-YOGCLGLASA-N 1 1 309.370 -1.314 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC000970515942 662363494 /nfs/dbraw/zinc/36/34/94/662363494.db2.gz ZVASXAPVPJFCJE-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000970521674 662363636 /nfs/dbraw/zinc/36/36/36/662363636.db2.gz TYEGBTQPZJSCJF-KOLCDFICSA-N 1 1 319.369 -1.023 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010695295 662363900 /nfs/dbraw/zinc/36/39/00/662363900.db2.gz QCVSNSCSJJLTBX-CHWSQXEVSA-N 1 1 308.386 -1.201 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001039187687 662363913 /nfs/dbraw/zinc/36/39/13/662363913.db2.gz TVJLHWGDJXYMMJ-VXGBXAGGSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001010690558 662364012 /nfs/dbraw/zinc/36/40/12/662364012.db2.gz IBPHUOHRWCCQOV-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136680 662364271 /nfs/dbraw/zinc/36/42/71/662364271.db2.gz MFTPSWORDVBCGN-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136680 662364274 /nfs/dbraw/zinc/36/42/74/662364274.db2.gz MFTPSWORDVBCGN-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970577720 662364701 /nfs/dbraw/zinc/36/47/01/662364701.db2.gz ORHPMZUWKYLZHB-SECBINFHSA-N 1 1 324.381 -1.436 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021348128 662364768 /nfs/dbraw/zinc/36/47/68/662364768.db2.gz YQONQYHIAMVQCR-AGUYFDCRSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576735 662364950 /nfs/dbraw/zinc/36/49/50/662364950.db2.gz FEHUSRCZPOJHPO-KCJUWKMLSA-N 1 1 324.381 -1.260 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010708913 662366006 /nfs/dbraw/zinc/36/60/06/662366006.db2.gz VWALBFCIOXACFT-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010708909 662366180 /nfs/dbraw/zinc/36/61/80/662366180.db2.gz VWALBFCIOXACFT-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000970651427 662366562 /nfs/dbraw/zinc/36/65/62/662366562.db2.gz MFUKPMHRLYAMFG-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000970641612 662366581 /nfs/dbraw/zinc/36/65/81/662366581.db2.gz XUDPZXWKHGKPHQ-AXFHLTTASA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000970641612 662366582 /nfs/dbraw/zinc/36/65/82/662366582.db2.gz XUDPZXWKHGKPHQ-AXFHLTTASA-N 1 1 322.369 -1.410 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000970651440 662366682 /nfs/dbraw/zinc/36/66/82/662366682.db2.gz MRLHMKZKZACEAY-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000970644164 662366726 /nfs/dbraw/zinc/36/67/26/662366726.db2.gz WWDRLQNKEWEVIJ-AXFHLTTASA-N 1 1 312.370 -2.109 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000970661590 662367021 /nfs/dbraw/zinc/36/70/21/662367021.db2.gz LBCOLNVVUPYBPQ-SNVBAGLBSA-N 1 1 318.337 -1.281 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970674660 662367551 /nfs/dbraw/zinc/36/75/51/662367551.db2.gz YOIJYJZRMGJABV-MRVPVSSYSA-N 1 1 317.309 -1.037 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970665555 662367597 /nfs/dbraw/zinc/36/75/97/662367597.db2.gz UZIUNCHOWGSPGW-MRVPVSSYSA-N 1 1 322.329 -2.548 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970664849 662367628 /nfs/dbraw/zinc/36/76/28/662367628.db2.gz KBWBQMRUNFHKLZ-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000970675821 662367860 /nfs/dbraw/zinc/36/78/60/662367860.db2.gz PGSWEZJPKSBDFD-SNVBAGLBSA-N 1 1 320.353 -1.345 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)[nH]1 ZINC000970676309 662367973 /nfs/dbraw/zinc/36/79/73/662367973.db2.gz WOJSUQMPSFHQKU-SNVBAGLBSA-N 1 1 320.353 -1.047 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970675961 662368114 /nfs/dbraw/zinc/36/81/14/662368114.db2.gz SLJNMQINIWLXMZ-SECBINFHSA-N 1 1 307.310 -1.091 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000970787101 662370664 /nfs/dbraw/zinc/37/06/64/662370664.db2.gz KNUZUSYQEYFKPM-MNOVXSKESA-N 1 1 322.369 -1.869 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)cc1=O ZINC001038197192 662371213 /nfs/dbraw/zinc/37/12/13/662371213.db2.gz FBEMUBLXRYBTFZ-JTQLQIEISA-N 1 1 323.353 -1.192 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)cc1=O ZINC001038197192 662371216 /nfs/dbraw/zinc/37/12/16/662371216.db2.gz FBEMUBLXRYBTFZ-JTQLQIEISA-N 1 1 323.353 -1.192 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC000970811714 662371450 /nfs/dbraw/zinc/37/14/50/662371450.db2.gz IUCXJCLERGGITO-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)n(C)c1=O ZINC000970820217 662372259 /nfs/dbraw/zinc/37/22/59/662372259.db2.gz ZSUSXGIMLPIOSO-SNVBAGLBSA-N 1 1 319.369 -1.143 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970846316 662372877 /nfs/dbraw/zinc/37/28/77/662372877.db2.gz UHBMYFIVAMTLRJ-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970845785 662373246 /nfs/dbraw/zinc/37/32/46/662373246.db2.gz NXRVPYFUMXPQRV-RKDXNWHRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000970865784 662373514 /nfs/dbraw/zinc/37/35/14/662373514.db2.gz QPXRLYKJIRXXFF-JGVFFNPUSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970870438 662373577 /nfs/dbraw/zinc/37/35/77/662373577.db2.gz TWSGGIRWUZVOBH-MNOVXSKESA-N 1 1 322.413 -1.003 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970870442 662373591 /nfs/dbraw/zinc/37/35/91/662373591.db2.gz TWSGGIRWUZVOBH-WDEREUQCSA-N 1 1 322.413 -1.003 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010813889 662373723 /nfs/dbraw/zinc/37/37/23/662373723.db2.gz YVWRWBKIFGOVNF-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010813889 662373724 /nfs/dbraw/zinc/37/37/24/662373724.db2.gz YVWRWBKIFGOVNF-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010819924 662373765 /nfs/dbraw/zinc/37/37/65/662373765.db2.gz XFSQWEBYFVOPEI-UWVGGRQHSA-N 1 1 324.337 -1.566 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000970894334 662374178 /nfs/dbraw/zinc/37/41/78/662374178.db2.gz RGYDPSCDVZAEFL-DTWKUNHWSA-N 1 1 321.341 -2.047 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC000970894690 662374194 /nfs/dbraw/zinc/37/41/94/662374194.db2.gz VQVDTDBQGRNNLG-NXEZZACHSA-N 1 1 320.353 -1.442 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1COC(=O)N1 ZINC001010834490 662374982 /nfs/dbraw/zinc/37/49/82/662374982.db2.gz OTDBJPDEWKQCEJ-VHSXEESVSA-N 1 1 311.342 -1.690 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000970926609 662375073 /nfs/dbraw/zinc/37/50/73/662375073.db2.gz BEXOATAATNSEIN-SECBINFHSA-N 1 1 318.324 -1.257 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000970926609 662375076 /nfs/dbraw/zinc/37/50/76/662375076.db2.gz BEXOATAATNSEIN-SECBINFHSA-N 1 1 318.324 -1.257 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021589156 662375105 /nfs/dbraw/zinc/37/51/05/662375105.db2.gz WBTSHTFFZMAHBZ-GHMZBOCLSA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970932454 662375493 /nfs/dbraw/zinc/37/54/93/662375493.db2.gz QJWCEMGFXYCMKZ-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970932454 662375495 /nfs/dbraw/zinc/37/54/95/662375495.db2.gz QJWCEMGFXYCMKZ-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001021645138 662376518 /nfs/dbraw/zinc/37/65/18/662376518.db2.gz KTAKWQIDZGTSHH-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001021645144 662377223 /nfs/dbraw/zinc/37/72/23/662377223.db2.gz KTAKWQIDZGTSHH-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@@H]32)n1 ZINC001021647057 662377264 /nfs/dbraw/zinc/37/72/64/662377264.db2.gz VFOHQTWTWWHDBZ-UWVGGRQHSA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)n1 ZINC001021647057 662377266 /nfs/dbraw/zinc/37/72/66/662377266.db2.gz VFOHQTWTWWHDBZ-UWVGGRQHSA-N 1 1 307.358 -1.378 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC001021663083 662377295 /nfs/dbraw/zinc/37/72/95/662377295.db2.gz ZLWNZWDMSWISIS-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000932908577 662377348 /nfs/dbraw/zinc/37/73/48/662377348.db2.gz VSXPQVYASKXMKU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001010873839 662377467 /nfs/dbraw/zinc/37/74/67/662377467.db2.gz CCKAWLJHNSYESB-GFCCVEGCSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001010873839 662377469 /nfs/dbraw/zinc/37/74/69/662377469.db2.gz CCKAWLJHNSYESB-GFCCVEGCSA-N 1 1 322.369 -1.721 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046649 662377741 /nfs/dbraw/zinc/37/77/41/662377741.db2.gz SVLKAHURLPQAKN-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC000971045279 662377864 /nfs/dbraw/zinc/37/78/64/662377864.db2.gz MGISOLCDNIKQML-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021687551 662377876 /nfs/dbraw/zinc/37/78/76/662377876.db2.gz INJDZTVKVSLOMK-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046644 662377886 /nfs/dbraw/zinc/37/78/86/662377886.db2.gz SSQJMXSWWFPYCN-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971044970 662378007 /nfs/dbraw/zinc/37/80/07/662378007.db2.gz KWDSALITEAZONX-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971047576 662378024 /nfs/dbraw/zinc/37/80/24/662378024.db2.gz BSANVIFUENTYTM-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001010880855 662378135 /nfs/dbraw/zinc/37/81/35/662378135.db2.gz QUYWTGOLSQJDJX-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001010880855 662378136 /nfs/dbraw/zinc/37/81/36/662378136.db2.gz QUYWTGOLSQJDJX-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021687549 662378141 /nfs/dbraw/zinc/37/81/41/662378141.db2.gz INJDZTVKVSLOMK-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971044965 662378243 /nfs/dbraw/zinc/37/82/43/662378243.db2.gz KWDSALITEAZONX-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001021699737 662378522 /nfs/dbraw/zinc/37/85/22/662378522.db2.gz USBWTHHXMNZSTK-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971237820 662379923 /nfs/dbraw/zinc/37/99/23/662379923.db2.gz CAJKSJMWKSJRCM-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933096830 662379949 /nfs/dbraw/zinc/37/99/49/662379949.db2.gz OWNPMYNCZCHYSF-NEPJUHHUSA-N 1 1 322.431 -2.240 20 0 DAADMO C[C@@H]1C[NH+](CCN2CCN3[C@H](CNS3(=O)=O)C2)C[C@@H](C)O1 ZINC000933095503 662380073 /nfs/dbraw/zinc/38/00/73/662380073.db2.gz IHKYBLOCWUIANV-JHJVBQTASA-N 1 1 318.443 -1.070 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098475 662380093 /nfs/dbraw/zinc/38/00/93/662380093.db2.gz FUQFXEAORDLRLY-ONGXEEELSA-N 1 1 307.372 -1.865 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098475 662380095 /nfs/dbraw/zinc/38/00/95/662380095.db2.gz FUQFXEAORDLRLY-ONGXEEELSA-N 1 1 307.372 -1.865 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@H](O)CC3(O)CCCC3)CCN21 ZINC000933093734 662380100 /nfs/dbraw/zinc/38/01/00/662380100.db2.gz PKQSTOPDPOWEDL-VXGBXAGGSA-N 1 1 319.427 -1.123 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H](O)CC3(O)CCCC3)CCN21 ZINC000933093734 662380101 /nfs/dbraw/zinc/38/01/01/662380101.db2.gz PKQSTOPDPOWEDL-VXGBXAGGSA-N 1 1 319.427 -1.123 20 0 DAADMO C[C@](O)(C[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095661 662380130 /nfs/dbraw/zinc/38/01/30/662380130.db2.gz GCHSHTUTONMSDQ-AGIUHOORSA-N 1 1 319.427 -1.267 20 0 DAADMO C[C@](O)(C[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095661 662380131 /nfs/dbraw/zinc/38/01/31/662380131.db2.gz GCHSHTUTONMSDQ-AGIUHOORSA-N 1 1 319.427 -1.267 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@@H](O)C3(O)CCCC3)CCN21 ZINC000933094056 662380262 /nfs/dbraw/zinc/38/02/62/662380262.db2.gz RPQZEDPOYFNRKB-WDEREUQCSA-N 1 1 305.400 -1.513 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCCC3)CCN21 ZINC000933094056 662380263 /nfs/dbraw/zinc/38/02/63/662380263.db2.gz RPQZEDPOYFNRKB-WDEREUQCSA-N 1 1 305.400 -1.513 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001021816083 662380817 /nfs/dbraw/zinc/38/08/17/662380817.db2.gz CSZNCKPXPCQHFT-XHNCKOQMSA-N 1 1 306.334 -1.805 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021817000 662380970 /nfs/dbraw/zinc/38/09/70/662380970.db2.gz WLMTUOFSOFZGSJ-AOOOYVTPSA-N 1 1 320.361 -1.493 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1=O ZINC000971376535 662381303 /nfs/dbraw/zinc/38/13/03/662381303.db2.gz KZKXYDDIZAGZMA-WDEREUQCSA-N 1 1 322.369 -1.253 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@@H]1CCCNC1=O ZINC000971375975 662381336 /nfs/dbraw/zinc/38/13/36/662381336.db2.gz FLZJLRGCRFHLDW-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCCNC1=O ZINC000971375973 662381527 /nfs/dbraw/zinc/38/15/27/662381527.db2.gz FLZJLRGCRFHLDW-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971376903 662381537 /nfs/dbraw/zinc/38/15/37/662381537.db2.gz QESALANDVFTNNG-UWVGGRQHSA-N 1 1 310.358 -1.220 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137276 662381734 /nfs/dbraw/zinc/38/17/34/662381734.db2.gz OUQTWZVNKBZHNJ-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137276 662381735 /nfs/dbraw/zinc/38/17/35/662381735.db2.gz OUQTWZVNKBZHNJ-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1)c1nnnn1C ZINC001021854965 662381882 /nfs/dbraw/zinc/38/18/82/662381882.db2.gz RKVKNICFLNTRMM-MMWGEVLESA-N 1 1 310.358 -1.077 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1)c1nnnn1C ZINC001021854967 662381894 /nfs/dbraw/zinc/38/18/94/662381894.db2.gz RKVKNICFLNTRMM-ZNSHCXBVSA-N 1 1 310.358 -1.077 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001021892829 662382457 /nfs/dbraw/zinc/38/24/57/662382457.db2.gz UWHFTGAAMWCWLY-QCLAVDOMSA-N 1 1 308.342 -1.244 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001021892827 662382484 /nfs/dbraw/zinc/38/24/84/662382484.db2.gz UWHFTGAAMWCWLY-JXUBOQSCSA-N 1 1 308.342 -1.244 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001021926633 662383040 /nfs/dbraw/zinc/38/30/40/662383040.db2.gz QXBFBOHOFXTWFU-AXFHLTTASA-N 1 1 309.374 -1.723 20 0 DAADMO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001021924508 662383188 /nfs/dbraw/zinc/38/31/88/662383188.db2.gz PIGFLOBFLGVUAU-DTORHVGOSA-N 1 1 305.346 -1.302 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001021928409 662383446 /nfs/dbraw/zinc/38/34/46/662383446.db2.gz PQMDRIFSLLVZAC-NTZNESFSSA-N 1 1 308.386 -1.118 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001021949050 662383498 /nfs/dbraw/zinc/38/34/98/662383498.db2.gz DZIKEGZOTOYIDU-LPEHRKFASA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC000971449980 662383616 /nfs/dbraw/zinc/38/36/16/662383616.db2.gz XQSXDCJHFFNPED-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452602 662383740 /nfs/dbraw/zinc/38/37/40/662383740.db2.gz RTIRXKWFMBCSPM-MNOVXSKESA-N 1 1 308.342 -1.081 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001021983416 662384023 /nfs/dbraw/zinc/38/40/23/662384023.db2.gz YBSYRJVHYMQYPG-UTUOFQBUSA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001021984538 662384116 /nfs/dbraw/zinc/38/41/16/662384116.db2.gz XGQOGZNPXQRYLJ-LPEHRKFASA-N 1 1 305.346 -1.200 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001021989803 662384226 /nfs/dbraw/zinc/38/42/26/662384226.db2.gz DKWUAVDNPUPHPI-OUAUKWLOSA-N 1 1 309.374 -1.723 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCN2C)C1)c1nnnn1C ZINC001021991485 662384377 /nfs/dbraw/zinc/38/43/77/662384377.db2.gz RAWDMRDUGKDGHE-YFKTTZPYSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3COCCN3C)C2)n1 ZINC001021991702 662384397 /nfs/dbraw/zinc/38/43/97/662384397.db2.gz VVAMTQGAYPRZKM-NTZNESFSSA-N 1 1 308.386 -1.118 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC001021997106 662384474 /nfs/dbraw/zinc/38/44/74/662384474.db2.gz RVMPEDIXZWHEMW-OCAPTIKFSA-N 1 1 305.346 -1.424 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n[nH]1 ZINC001022061116 662385073 /nfs/dbraw/zinc/38/50/73/662385073.db2.gz VJSLUWACTBRQMQ-AEJSXWLSSA-N 1 1 320.353 -1.302 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971567635 662385206 /nfs/dbraw/zinc/38/52/06/662385206.db2.gz SRBIMOIBSPQGAN-BDAKNGLRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545255 662385237 /nfs/dbraw/zinc/38/52/37/662385237.db2.gz NUKWPUCEVMQKGN-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC000971545606 662385312 /nfs/dbraw/zinc/38/53/12/662385312.db2.gz VCIRAFAFUSUNSG-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971567636 662385347 /nfs/dbraw/zinc/38/53/47/662385347.db2.gz SRBIMOIBSPQGAN-DTWKUNHWSA-N 1 1 323.357 -2.217 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011026373 662385386 /nfs/dbraw/zinc/38/53/86/662385386.db2.gz XYKVXRZUONQBAP-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971562237 662385389 /nfs/dbraw/zinc/38/53/89/662385389.db2.gz DQRCAOJLMPMTQW-MRVPVSSYSA-N 1 1 309.330 -2.605 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971562237 662385390 /nfs/dbraw/zinc/38/53/90/662385390.db2.gz DQRCAOJLMPMTQW-MRVPVSSYSA-N 1 1 309.330 -2.605 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1COC(=O)N1 ZINC001038214794 662386247 /nfs/dbraw/zinc/38/62/47/662386247.db2.gz SIIVIJVAEIOGPD-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1COC(=O)N1 ZINC001038214794 662386249 /nfs/dbraw/zinc/38/62/49/662386249.db2.gz SIIVIJVAEIOGPD-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001022086184 662386256 /nfs/dbraw/zinc/38/62/56/662386256.db2.gz LRBGUMUVVNBMHZ-HLTSFMKQSA-N 1 1 306.334 -1.805 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001022086185 662386369 /nfs/dbraw/zinc/38/63/69/662386369.db2.gz LRBGUMUVVNBMHZ-XHNCKOQMSA-N 1 1 306.334 -1.805 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971615282 662386630 /nfs/dbraw/zinc/38/66/30/662386630.db2.gz SGEPUKNWRURNNE-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)n1 ZINC001022106671 662386865 /nfs/dbraw/zinc/38/68/65/662386865.db2.gz LHQPCRKJMHFCJR-OCAPTIKFSA-N 1 1 320.313 -1.803 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001022160962 662387865 /nfs/dbraw/zinc/38/78/65/662387865.db2.gz QZIYUHYLFPKIBL-BBBLOLIVSA-N 1 1 307.358 -1.575 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001022206888 662388075 /nfs/dbraw/zinc/38/80/75/662388075.db2.gz GGFPKBQJXGCZHK-PHIMTYICSA-N 1 1 323.353 -1.026 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001022160052 662388129 /nfs/dbraw/zinc/38/81/29/662388129.db2.gz AMTQYWMSVYVAAB-ZRUFSTJUSA-N 1 1 321.385 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000971659752 662388286 /nfs/dbraw/zinc/38/82/86/662388286.db2.gz OFVRDKVAIYONOG-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000971659752 662388289 /nfs/dbraw/zinc/38/82/89/662388289.db2.gz OFVRDKVAIYONOG-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001022219078 662388450 /nfs/dbraw/zinc/38/84/50/662388450.db2.gz ZZYHCPNMMMEMLR-XKSSXDPKSA-N 1 1 321.341 -1.850 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022220538 662388507 /nfs/dbraw/zinc/38/85/07/662388507.db2.gz ISZIPRCYPWVBHG-OOZYFLPDSA-N 1 1 308.298 -1.596 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000971690473 662388576 /nfs/dbraw/zinc/38/85/76/662388576.db2.gz SREIWIJENMPPSB-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO COCC[NH+]1CCN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000891624816 662388595 /nfs/dbraw/zinc/38/85/95/662388595.db2.gz HHCPPCPBPHMKTO-UHFFFAOYSA-N 1 1 322.369 -1.271 20 0 DAADMO CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971679804 662388630 /nfs/dbraw/zinc/38/86/30/662388630.db2.gz VJCZLZRDQADRED-OLZOCXBDSA-N 1 1 322.413 -1.169 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CCOCC2=O)C1)[C@H]1CCNC1=O ZINC000971689495 662388649 /nfs/dbraw/zinc/38/86/49/662388649.db2.gz JRAAMVIEPFUOSN-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022222942 662388700 /nfs/dbraw/zinc/38/87/00/662388700.db2.gz KBBKTBXFJRFWFC-GUDRVLHUSA-N 1 1 310.358 -1.249 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001022212526 662388789 /nfs/dbraw/zinc/38/87/89/662388789.db2.gz IIRCFTDIMOJOPW-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)n1 ZINC001022225751 662388951 /nfs/dbraw/zinc/38/89/51/662388951.db2.gz MYUIXCZCFHSXRP-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001038221286 662389624 /nfs/dbraw/zinc/38/96/24/662389624.db2.gz LLUFBPAWZKVJFC-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001038221286 662389627 /nfs/dbraw/zinc/38/96/27/662389627.db2.gz LLUFBPAWZKVJFC-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC000971789495 662389659 /nfs/dbraw/zinc/38/96/59/662389659.db2.gz NYFYMNMYEJPLLV-NSHDSACASA-N 1 1 319.365 -1.259 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC000971789495 662389663 /nfs/dbraw/zinc/38/96/63/662389663.db2.gz NYFYMNMYEJPLLV-NSHDSACASA-N 1 1 319.365 -1.259 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001022278211 662389716 /nfs/dbraw/zinc/38/97/16/662389716.db2.gz HVWGKLCJHIBXGA-ISTVAULSSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001022298768 662389802 /nfs/dbraw/zinc/38/98/02/662389802.db2.gz OQQNAVKQRLYSRB-MXWKQRLJSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC000971789494 662389896 /nfs/dbraw/zinc/38/98/96/662389896.db2.gz NYFYMNMYEJPLLV-LLVKDONJSA-N 1 1 319.365 -1.259 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC000971789494 662389900 /nfs/dbraw/zinc/38/99/00/662389900.db2.gz NYFYMNMYEJPLLV-LLVKDONJSA-N 1 1 319.365 -1.259 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)O1 ZINC001022276694 662389926 /nfs/dbraw/zinc/38/99/26/662389926.db2.gz PWOXEEDGXQCXDJ-WISYIIOYSA-N 1 1 323.401 -1.334 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)O1 ZINC001022276694 662389927 /nfs/dbraw/zinc/38/99/27/662389927.db2.gz PWOXEEDGXQCXDJ-WISYIIOYSA-N 1 1 323.401 -1.334 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001022277150 662389956 /nfs/dbraw/zinc/38/99/56/662389956.db2.gz WMWKNJHKESLREN-WISYIIOYSA-N 1 1 323.401 -1.334 20 0 DAADMO Cn1ncc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001038138848 662390187 /nfs/dbraw/zinc/39/01/87/662390187.db2.gz YLZVZMLNRQVNRN-STQMWFEESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001038138848 662390189 /nfs/dbraw/zinc/39/01/89/662390189.db2.gz YLZVZMLNRQVNRN-STQMWFEESA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971817406 662390682 /nfs/dbraw/zinc/39/06/82/662390682.db2.gz FJWLPORETKBVTR-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817733 662390812 /nfs/dbraw/zinc/39/08/12/662390812.db2.gz JPHBXDOVWIFOLU-UWVGGRQHSA-N 1 1 322.369 -1.436 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817733 662390816 /nfs/dbraw/zinc/39/08/16/662390816.db2.gz JPHBXDOVWIFOLU-UWVGGRQHSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001022343980 662390918 /nfs/dbraw/zinc/39/09/18/662390918.db2.gz XKEJGKZQVYIFGK-YTWAJWBKSA-N 1 1 321.385 -1.138 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971824696 662391388 /nfs/dbraw/zinc/39/13/88/662391388.db2.gz RKWSDOCKFUXYGG-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971824698 662391452 /nfs/dbraw/zinc/39/14/52/662391452.db2.gz RKWSDOCKFUXYGG-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971822197 662391499 /nfs/dbraw/zinc/39/14/99/662391499.db2.gz SQEPLTBLXOPQOP-NXEZZACHSA-N 1 1 310.358 -2.012 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022379288 662391704 /nfs/dbraw/zinc/39/17/04/662391704.db2.gz ZOGNIFUQNOAFGE-DTORHVGOSA-N 1 1 320.309 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001022401566 662391948 /nfs/dbraw/zinc/39/19/48/662391948.db2.gz YZRXJUXHZVKEDR-OCAPTIKFSA-N 1 1 319.325 -1.047 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971857606 662392162 /nfs/dbraw/zinc/39/21/62/662392162.db2.gz COXXJZWAVGCSIQ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CCN(C(=O)C(=O)NCCCc1nnnn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000933863795 662392466 /nfs/dbraw/zinc/39/24/66/662392466.db2.gz QDTNHFBYNGVUTA-LLVKDONJSA-N 1 1 323.401 -1.189 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971850499 662392504 /nfs/dbraw/zinc/39/25/04/662392504.db2.gz JCQZQVZAOXDKHG-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971850497 662392576 /nfs/dbraw/zinc/39/25/76/662392576.db2.gz JCQZQVZAOXDKHG-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971857604 662392623 /nfs/dbraw/zinc/39/26/23/662392623.db2.gz COXXJZWAVGCSIQ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884201 662393470 /nfs/dbraw/zinc/39/34/70/662393470.db2.gz FTUQOPJVSQIROF-NXEZZACHSA-N 1 1 323.353 -1.645 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000971892282 662393554 /nfs/dbraw/zinc/39/35/54/662393554.db2.gz IDNIIMZGPXUWKV-QWRGUYRKSA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000971892282 662393555 /nfs/dbraw/zinc/39/35/55/662393555.db2.gz IDNIIMZGPXUWKV-QWRGUYRKSA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971888290 662393588 /nfs/dbraw/zinc/39/35/88/662393588.db2.gz TYWJYYVASWWRPI-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971888290 662393590 /nfs/dbraw/zinc/39/35/90/662393590.db2.gz TYWJYYVASWWRPI-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971884764 662393594 /nfs/dbraw/zinc/39/35/94/662393594.db2.gz AANMMCJIDANEFM-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971883243 662393599 /nfs/dbraw/zinc/39/35/99/662393599.db2.gz ZJSOAQRLHFTKHX-VIFPVBQESA-N 1 1 309.326 -2.033 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971883243 662393600 /nfs/dbraw/zinc/39/36/00/662393600.db2.gz ZJSOAQRLHFTKHX-VIFPVBQESA-N 1 1 309.326 -2.033 20 0 DAADMO O=C(NCC(=O)N1CCNCC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891970988 662393880 /nfs/dbraw/zinc/39/38/80/662393880.db2.gz LJWCLOSDOQHEHW-JTQLQIEISA-N 1 1 319.356 -1.038 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022538227 662394408 /nfs/dbraw/zinc/39/44/08/662394408.db2.gz VYZBFZCYUKBYSV-TXEJJXNPSA-N 1 1 318.381 -1.355 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022537933 662394529 /nfs/dbraw/zinc/39/45/29/662394529.db2.gz PHBCXBGLBDNYQP-TXEJJXNPSA-N 1 1 307.354 -1.157 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001022552141 662395818 /nfs/dbraw/zinc/39/58/18/662395818.db2.gz WRNXNKFXHAPAKQ-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)ncc1=O ZINC000971965671 662396671 /nfs/dbraw/zinc/39/66/71/662396671.db2.gz FUWNHCFYCPWDSI-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC000971952345 662396744 /nfs/dbraw/zinc/39/67/44/662396744.db2.gz JFCGAJJYGACBCA-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971999018 662397836 /nfs/dbraw/zinc/39/78/36/662397836.db2.gz YKMSHMQEABBHDW-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002900 662397868 /nfs/dbraw/zinc/39/78/68/662397868.db2.gz SHNNYLNCEOCACZ-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002394 662397968 /nfs/dbraw/zinc/39/79/68/662397968.db2.gz QVTWSBHSQVBVOV-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022629820 662398016 /nfs/dbraw/zinc/39/80/16/662398016.db2.gz IFFHDFTYVYDOEI-KXUCPTDWSA-N 1 1 322.373 -1.328 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001022631399 662398551 /nfs/dbraw/zinc/39/85/51/662398551.db2.gz ZWMIDVCNGPIDJW-HRDYMLBCSA-N 1 1 323.357 -1.446 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001022631187 662398769 /nfs/dbraw/zinc/39/87/69/662398769.db2.gz VYOMTOYENZCPLM-YIZRAAEISA-N 1 1 324.341 -1.366 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000972071555 662399421 /nfs/dbraw/zinc/39/94/21/662399421.db2.gz YOQLYTNWAXDCET-SNVBAGLBSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000972071555 662399424 /nfs/dbraw/zinc/39/94/24/662399424.db2.gz YOQLYTNWAXDCET-SNVBAGLBSA-N 1 1 303.326 -1.244 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)NC1=O ZINC000972078406 662399769 /nfs/dbraw/zinc/39/97/69/662399769.db2.gz GVOPFORDVKYEJN-NEPJUHHUSA-N 1 1 321.385 -1.166 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078123 662399889 /nfs/dbraw/zinc/39/98/89/662399889.db2.gz DBEOUOOCDZQFHV-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088866 662400510 /nfs/dbraw/zinc/40/05/10/662400510.db2.gz ZEYAHSSRZHPCRL-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088866 662400508 /nfs/dbraw/zinc/40/05/08/662400508.db2.gz ZEYAHSSRZHPCRL-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)n1 ZINC000972110744 662400527 /nfs/dbraw/zinc/40/05/27/662400527.db2.gz ALFWERMKTOMODA-JTQLQIEISA-N 1 1 307.358 -1.411 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC000972110744 662400529 /nfs/dbraw/zinc/40/05/29/662400529.db2.gz ALFWERMKTOMODA-JTQLQIEISA-N 1 1 307.358 -1.411 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000972114136 662400609 /nfs/dbraw/zinc/40/06/09/662400609.db2.gz BXUVGZZNVASBRF-SNVBAGLBSA-N 1 1 322.373 -1.618 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC(N)=O ZINC000947494285 662401179 /nfs/dbraw/zinc/40/11/79/662401179.db2.gz WVPOZYVQUFTOFT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1CC(N)=O ZINC000947494285 662401181 /nfs/dbraw/zinc/40/11/81/662401181.db2.gz WVPOZYVQUFTOFT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000972117416 662401289 /nfs/dbraw/zinc/40/12/89/662401289.db2.gz UZZPEIGWIFHXSG-BDAKNGLRSA-N 1 1 321.341 -1.838 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCCN(C)C3=O)C2)n1 ZINC000972115856 662401574 /nfs/dbraw/zinc/40/15/74/662401574.db2.gz MKPXETIKVCONJY-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000972117418 662401605 /nfs/dbraw/zinc/40/16/05/662401605.db2.gz UZZPEIGWIFHXSG-DTWKUNHWSA-N 1 1 321.341 -1.838 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)c1nnnn1C ZINC001022725533 662401926 /nfs/dbraw/zinc/40/19/26/662401926.db2.gz BWTYPEBLCGABEF-SPFKKGSWSA-N 1 1 307.358 -1.371 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211102 662403196 /nfs/dbraw/zinc/40/31/96/662403196.db2.gz CLWCVVZLNMRPDG-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211102 662403200 /nfs/dbraw/zinc/40/32/00/662403200.db2.gz CLWCVVZLNMRPDG-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198629 662403644 /nfs/dbraw/zinc/40/36/44/662403644.db2.gz IKIYMAVNLTYRIF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198629 662403646 /nfs/dbraw/zinc/40/36/46/662403646.db2.gz IKIYMAVNLTYRIF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(CN1CCCC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972248055 662404180 /nfs/dbraw/zinc/40/41/80/662404180.db2.gz HZPZXOZDJNFYPF-HNNXBMFYSA-N 1 1 311.382 -1.096 20 0 DAADMO O=C(CN1CCCC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972248055 662404184 /nfs/dbraw/zinc/40/41/84/662404184.db2.gz HZPZXOZDJNFYPF-HNNXBMFYSA-N 1 1 311.382 -1.096 20 0 DAADMO C[N@@H+](CC1CCS(=O)(=O)CC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213561 662404254 /nfs/dbraw/zinc/40/42/54/662404254.db2.gz SUSVOXQRLFUNTC-LLVKDONJSA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972317275 662406862 /nfs/dbraw/zinc/40/68/62/662406862.db2.gz TWLVVJKQDLWDSZ-ZFWWWQNUSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972317275 662406864 /nfs/dbraw/zinc/40/68/64/662406864.db2.gz TWLVVJKQDLWDSZ-ZFWWWQNUSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972317273 662407170 /nfs/dbraw/zinc/40/71/70/662407170.db2.gz TWLVVJKQDLWDSZ-HIFRSBDPSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972317273 662407174 /nfs/dbraw/zinc/40/71/74/662407174.db2.gz TWLVVJKQDLWDSZ-HIFRSBDPSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022784043 662407184 /nfs/dbraw/zinc/40/71/84/662407184.db2.gz YTUWIBZSGISTRF-OOZYFLPDSA-N 1 1 308.298 -1.596 20 0 DAADMO Nc1nccnc1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972305437 662407352 /nfs/dbraw/zinc/40/73/52/662407352.db2.gz RSTNCJHTCYLHRT-AWEZNQCLSA-N 1 1 307.354 -1.032 20 0 DAADMO Nc1nccnc1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972305437 662407356 /nfs/dbraw/zinc/40/73/56/662407356.db2.gz RSTNCJHTCYLHRT-AWEZNQCLSA-N 1 1 307.354 -1.032 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972342242 662407804 /nfs/dbraw/zinc/40/78/04/662407804.db2.gz LDRURTLWKFCFLE-BBBLOLIVSA-N 1 1 322.369 -1.738 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)CN2C)CC[C@H]1C[NH3+] ZINC000926417615 662407903 /nfs/dbraw/zinc/40/79/03/662407903.db2.gz HFWHSLPLYDMKIE-VOAKCMCISA-N 1 1 312.414 -1.389 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341164 662407949 /nfs/dbraw/zinc/40/79/49/662407949.db2.gz BNSCLROISBTQBW-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972339262 662408003 /nfs/dbraw/zinc/40/80/03/662408003.db2.gz OKZPLTYJGWWCHY-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972339262 662408004 /nfs/dbraw/zinc/40/80/04/662408004.db2.gz OKZPLTYJGWWCHY-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001011163864 662408008 /nfs/dbraw/zinc/40/80/08/662408008.db2.gz GXMZGHCLPCGGBN-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2C)CC[C@H]1C[NH3+] ZINC000926417605 662408048 /nfs/dbraw/zinc/40/80/48/662408048.db2.gz HFWHSLPLYDMKIE-MROQNXINSA-N 1 1 312.414 -1.389 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)CC[N@H+]1C ZINC001011176443 662408588 /nfs/dbraw/zinc/40/85/88/662408588.db2.gz KAVUEVZAOSJDNM-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972353616 662408616 /nfs/dbraw/zinc/40/86/16/662408616.db2.gz TWNJHXOZHXYDEW-OAHLLOKOSA-N 1 1 311.382 -1.240 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972353616 662408619 /nfs/dbraw/zinc/40/86/19/662408619.db2.gz TWNJHXOZHXYDEW-OAHLLOKOSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972345148 662408722 /nfs/dbraw/zinc/40/87/22/662408722.db2.gz BILYYTVPSCLDEH-OAHLLOKOSA-N 1 1 313.398 -1.386 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972345148 662408723 /nfs/dbraw/zinc/40/87/23/662408723.db2.gz BILYYTVPSCLDEH-OAHLLOKOSA-N 1 1 313.398 -1.386 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972381595 662409108 /nfs/dbraw/zinc/40/91/08/662409108.db2.gz RGDSZLWSDYNYLQ-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972381595 662409110 /nfs/dbraw/zinc/40/91/10/662409110.db2.gz RGDSZLWSDYNYLQ-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001022844367 662410049 /nfs/dbraw/zinc/41/00/49/662410049.db2.gz ZSPABJUTJXGHFJ-LPEHRKFASA-N 1 1 307.358 -1.384 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001022849609 662410476 /nfs/dbraw/zinc/41/04/76/662410476.db2.gz WQICRCOPYTWOMX-HLTSFMKQSA-N 1 1 305.346 -1.050 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001022851749 662410673 /nfs/dbraw/zinc/41/06/73/662410673.db2.gz HJHLSSJYTYDABW-UNOFRPGUSA-N 1 1 309.366 -1.443 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC001022848404 662410822 /nfs/dbraw/zinc/41/08/22/662410822.db2.gz NWOAGINEQSBPKM-AOOOYVTPSA-N 1 1 320.353 -1.395 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022856771 662411012 /nfs/dbraw/zinc/41/10/12/662411012.db2.gz ZELXSLCMTCKBTG-NXEZZACHSA-N 1 1 321.324 -1.338 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001022861702 662412020 /nfs/dbraw/zinc/41/20/20/662412020.db2.gz AHRVWYBXOFJJAN-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022862075 662412227 /nfs/dbraw/zinc/41/22/27/662412227.db2.gz SUYKARAIALQDTK-AOOOYVTPSA-N 1 1 318.337 -1.235 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001022864153 662413088 /nfs/dbraw/zinc/41/30/88/662413088.db2.gz BRNBEKQMWSUWKG-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000972392486 662413386 /nfs/dbraw/zinc/41/33/86/662413386.db2.gz LNMCTRJWZCAPBS-AWEZNQCLSA-N 1 1 322.369 -1.300 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CC1=O ZINC000972407637 662414779 /nfs/dbraw/zinc/41/47/79/662414779.db2.gz KZESNJWGGWFEGY-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CC1=O ZINC000972407637 662414781 /nfs/dbraw/zinc/41/47/81/662414781.db2.gz KZESNJWGGWFEGY-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CC1=O ZINC000972407629 662414868 /nfs/dbraw/zinc/41/48/68/662414868.db2.gz KZESNJWGGWFEGY-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CC1=O ZINC000972407629 662414871 /nfs/dbraw/zinc/41/48/71/662414871.db2.gz KZESNJWGGWFEGY-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001022895701 662415945 /nfs/dbraw/zinc/41/59/45/662415945.db2.gz PTVAUNGPZNAWCJ-DTORHVGOSA-N 1 1 318.341 -1.312 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001011216374 662415958 /nfs/dbraw/zinc/41/59/58/662415958.db2.gz LKWRVYIFXGOALB-LBPRGKRZSA-N 1 1 322.369 -1.190 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001011216374 662415960 /nfs/dbraw/zinc/41/59/60/662415960.db2.gz LKWRVYIFXGOALB-LBPRGKRZSA-N 1 1 322.369 -1.190 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972443569 662416281 /nfs/dbraw/zinc/41/62/81/662416281.db2.gz JEDXMPHZXPJOCQ-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972443569 662416284 /nfs/dbraw/zinc/41/62/84/662416284.db2.gz JEDXMPHZXPJOCQ-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972443565 662416508 /nfs/dbraw/zinc/41/65/08/662416508.db2.gz JEDXMPHZXPJOCQ-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972443565 662416511 /nfs/dbraw/zinc/41/65/11/662416511.db2.gz JEDXMPHZXPJOCQ-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000972451939 662417048 /nfs/dbraw/zinc/41/70/48/662417048.db2.gz GSIKCURFUWWEMX-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000972451939 662417050 /nfs/dbraw/zinc/41/70/50/662417050.db2.gz GSIKCURFUWWEMX-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1 ZINC001022928451 662418683 /nfs/dbraw/zinc/41/86/83/662418683.db2.gz VWVXMLDHJVVZLY-WZRBSPASSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1 ZINC001022928451 662418685 /nfs/dbraw/zinc/41/86/85/662418685.db2.gz VWVXMLDHJVVZLY-WZRBSPASSA-N 1 1 323.349 -1.088 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480021 662419148 /nfs/dbraw/zinc/41/91/48/662419148.db2.gz GHPCCRMVQLGPJH-HUUCEWRRSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480021 662419153 /nfs/dbraw/zinc/41/91/53/662419153.db2.gz GHPCCRMVQLGPJH-HUUCEWRRSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480018 662419479 /nfs/dbraw/zinc/41/94/79/662419479.db2.gz GHPCCRMVQLGPJH-CABCVRRESA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480018 662419485 /nfs/dbraw/zinc/41/94/85/662419485.db2.gz GHPCCRMVQLGPJH-CABCVRRESA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)cn1 ZINC001023019155 662424343 /nfs/dbraw/zinc/42/43/43/662424343.db2.gz AMZMJGHQYDKTPA-FRRDWIJNSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001023037691 662424925 /nfs/dbraw/zinc/42/49/25/662424925.db2.gz NMMKRCJLXAVVIZ-AXFHLTTASA-N 1 1 321.385 -1.042 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)NC1=O ZINC000972504735 662425823 /nfs/dbraw/zinc/42/58/23/662425823.db2.gz QGHZUTNFIKBVDL-BXUZGUMPSA-N 1 1 312.370 -1.694 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)NC1=O ZINC000972504735 662425825 /nfs/dbraw/zinc/42/58/25/662425825.db2.gz QGHZUTNFIKBVDL-BXUZGUMPSA-N 1 1 312.370 -1.694 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001023058970 662426538 /nfs/dbraw/zinc/42/65/38/662426538.db2.gz GTUKXGFTCLSNDH-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972506176 662426567 /nfs/dbraw/zinc/42/65/67/662426567.db2.gz GLRSPNVRPQAFJJ-JTQLQIEISA-N 1 1 309.374 -1.186 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972506176 662426571 /nfs/dbraw/zinc/42/65/71/662426571.db2.gz GLRSPNVRPQAFJJ-JTQLQIEISA-N 1 1 309.374 -1.186 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC001023061608 662426976 /nfs/dbraw/zinc/42/69/76/662426976.db2.gz NXSIWJCDOHYLRH-JHJVBQTASA-N 1 1 321.381 -1.477 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888987794 662427281 /nfs/dbraw/zinc/42/72/81/662427281.db2.gz ATHCZHKOGYFEQT-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001023084310 662428528 /nfs/dbraw/zinc/42/85/28/662428528.db2.gz NBQVATXZRCGRIZ-GARJFASQSA-N 1 1 308.386 -1.203 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001023084310 662428533 /nfs/dbraw/zinc/42/85/33/662428533.db2.gz NBQVATXZRCGRIZ-GARJFASQSA-N 1 1 308.386 -1.203 20 0 DAADMO O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000091673348 662428705 /nfs/dbraw/zinc/42/87/05/662428705.db2.gz BADQYKHLYJPWOK-NEPJUHHUSA-N 1 1 304.416 -1.411 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023094348 662429523 /nfs/dbraw/zinc/42/95/23/662429523.db2.gz IQBFCVIHFPMAAH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023094348 662429524 /nfs/dbraw/zinc/42/95/24/662429524.db2.gz IQBFCVIHFPMAAH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023100865 662430157 /nfs/dbraw/zinc/43/01/57/662430157.db2.gz CIUDZIFQIVMNSK-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115129 662431651 /nfs/dbraw/zinc/43/16/51/662431651.db2.gz ACHFLJLETSUYEL-GRYCIOLGSA-N 1 1 323.401 -1.332 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888988963 662431666 /nfs/dbraw/zinc/43/16/66/662431666.db2.gz WQCULBQSITWMQE-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)C1 ZINC001023115144 662431871 /nfs/dbraw/zinc/43/18/71/662431871.db2.gz AOLQBBBEXLELMK-GRYCIOLGSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)C1 ZINC001023115144 662431875 /nfs/dbraw/zinc/43/18/75/662431875.db2.gz AOLQBBBEXLELMK-GRYCIOLGSA-N 1 1 323.401 -1.332 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023118508 662431886 /nfs/dbraw/zinc/43/18/86/662431886.db2.gz FPIJMJIRWTYNKA-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001023137373 662432962 /nfs/dbraw/zinc/43/29/62/662432962.db2.gz GVLPUSYYAFUQPE-GRYCIOLGSA-N 1 1 321.385 -1.042 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001023138360 662433455 /nfs/dbraw/zinc/43/34/55/662433455.db2.gz OAMHYOUGVBGUCT-DTORHVGOSA-N 1 1 320.357 -1.702 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)nn1 ZINC000888989529 662433961 /nfs/dbraw/zinc/43/39/61/662433961.db2.gz PNELYWYYCBFWPH-UHFFFAOYSA-N 1 1 324.385 -1.230 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC000972520603 662434672 /nfs/dbraw/zinc/43/46/72/662434672.db2.gz KERDWMHUUDUBCM-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001023176887 662436050 /nfs/dbraw/zinc/43/60/50/662436050.db2.gz LDZOUMIRNZYJGF-LPEHRKFASA-N 1 1 320.353 -1.395 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001023167588 662436126 /nfs/dbraw/zinc/43/61/26/662436126.db2.gz KBOGXQRITNJPHG-JHJVBQTASA-N 1 1 322.365 -1.084 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001023173429 662436233 /nfs/dbraw/zinc/43/62/33/662436233.db2.gz JCFAHGQKROHLDM-HLTSFMKQSA-N 1 1 321.341 -2.000 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023176901 662436441 /nfs/dbraw/zinc/43/64/41/662436441.db2.gz LJWWPKFNUNWTSZ-HLTSFMKQSA-N 1 1 307.310 -1.141 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023175500 662436901 /nfs/dbraw/zinc/43/69/01/662436901.db2.gz QPHFEXZJYKLSTG-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O ZINC001023193317 662437750 /nfs/dbraw/zinc/43/77/50/662437750.db2.gz SXYCBOIEIIDCNG-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526134 662439126 /nfs/dbraw/zinc/43/91/26/662439126.db2.gz BQJIDYORSSVKMZ-ZJUUUORDSA-N 1 1 318.399 -1.962 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526134 662439127 /nfs/dbraw/zinc/43/91/27/662439127.db2.gz BQJIDYORSSVKMZ-ZJUUUORDSA-N 1 1 318.399 -1.962 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)C[N@H+](CCn1cccn1)CCO2 ZINC000972527434 662440140 /nfs/dbraw/zinc/44/01/40/662440140.db2.gz UIWKNVPQCASFIL-AWEZNQCLSA-N 1 1 307.354 -1.328 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCn1cccn1)CCO2 ZINC000972527434 662440144 /nfs/dbraw/zinc/44/01/44/662440144.db2.gz UIWKNVPQCASFIL-AWEZNQCLSA-N 1 1 307.354 -1.328 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)[nH]1 ZINC001023206496 662440385 /nfs/dbraw/zinc/44/03/85/662440385.db2.gz UECYZUDQWGLICU-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023207901 662440914 /nfs/dbraw/zinc/44/09/14/662440914.db2.gz JJLZWZTZGWTRBK-OUAUKWLOSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023207901 662440917 /nfs/dbraw/zinc/44/09/17/662440917.db2.gz JJLZWZTZGWTRBK-OUAUKWLOSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O ZINC001023212503 662441195 /nfs/dbraw/zinc/44/11/95/662441195.db2.gz GYEGJUHEZULVLL-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023216655 662441368 /nfs/dbraw/zinc/44/13/68/662441368.db2.gz KHRBFYZCUNYWPN-NTZNESFSSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001023208828 662441406 /nfs/dbraw/zinc/44/14/06/662441406.db2.gz YCYYBWCNPBTJJY-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O ZINC001023212346 662441755 /nfs/dbraw/zinc/44/17/55/662441755.db2.gz BGUPPHDWZCZAEH-IJLUTSLNSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023216654 662441779 /nfs/dbraw/zinc/44/17/79/662441779.db2.gz KHRBFYZCUNYWPN-NQBHXWOUSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1O ZINC001023212711 662442052 /nfs/dbraw/zinc/44/20/52/662442052.db2.gz NYCFMISAHGHGHE-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001023208499 662442165 /nfs/dbraw/zinc/44/21/65/662442165.db2.gz RWUSHGQJIYDHRG-KXUCPTDWSA-N 1 1 323.357 -2.394 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001023214691 662442487 /nfs/dbraw/zinc/44/24/87/662442487.db2.gz KGLMUWUEFWRQEP-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001023232538 662442719 /nfs/dbraw/zinc/44/27/19/662442719.db2.gz DPPNNWSOKXEKGX-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001023258577 662443983 /nfs/dbraw/zinc/44/39/83/662443983.db2.gz QNZVFZIRQBVFSO-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CCC(=O)N1 ZINC000972538986 662444168 /nfs/dbraw/zinc/44/41/68/662444168.db2.gz BKNZUXOLWVCXHN-LSDHHAIUSA-N 1 1 311.382 -1.049 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CCC(=O)N1 ZINC000972538986 662444171 /nfs/dbraw/zinc/44/41/71/662444171.db2.gz BKNZUXOLWVCXHN-LSDHHAIUSA-N 1 1 311.382 -1.049 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023279061 662444409 /nfs/dbraw/zinc/44/44/09/662444409.db2.gz LTSDQDKAMFWFAI-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023278731 662444601 /nfs/dbraw/zinc/44/46/01/662444601.db2.gz GPWSVQPQXPCKEN-GMTAPVOTSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023278731 662444604 /nfs/dbraw/zinc/44/46/04/662444604.db2.gz GPWSVQPQXPCKEN-GMTAPVOTSA-N 1 1 301.343 -2.349 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2O)C1 ZINC001023281600 662444940 /nfs/dbraw/zinc/44/49/40/662444940.db2.gz MKFHTVFJCSWUGP-TUCADOHPSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2O)C1 ZINC001023281600 662444942 /nfs/dbraw/zinc/44/49/42/662444942.db2.gz MKFHTVFJCSWUGP-TUCADOHPSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)C1 ZINC001023281986 662445186 /nfs/dbraw/zinc/44/51/86/662445186.db2.gz SQIPOBBRFCQKNE-MGPQQGTHSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)C1 ZINC001023281986 662445187 /nfs/dbraw/zinc/44/51/87/662445187.db2.gz SQIPOBBRFCQKNE-MGPQQGTHSA-N 1 1 323.393 -1.029 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023292669 662445207 /nfs/dbraw/zinc/44/52/07/662445207.db2.gz ZOGUUKFESFMBJS-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023292667 662445286 /nfs/dbraw/zinc/44/52/86/662445286.db2.gz ZOGUUKFESFMBJS-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949743066 662445335 /nfs/dbraw/zinc/44/53/35/662445335.db2.gz GQFRIMHSFDVYQK-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949743066 662445338 /nfs/dbraw/zinc/44/53/38/662445338.db2.gz GQFRIMHSFDVYQK-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023281942 662445404 /nfs/dbraw/zinc/44/54/04/662445404.db2.gz RQDPNCMYYYEQSR-IWSPIJDZSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023281942 662445406 /nfs/dbraw/zinc/44/54/06/662445406.db2.gz RQDPNCMYYYEQSR-IWSPIJDZSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023282922 662445638 /nfs/dbraw/zinc/44/56/38/662445638.db2.gz KFOVWXVWLHCPGR-IWSPIJDZSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023282922 662445639 /nfs/dbraw/zinc/44/56/39/662445639.db2.gz KFOVWXVWLHCPGR-IWSPIJDZSA-N 1 1 300.315 -3.510 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001023314329 662445949 /nfs/dbraw/zinc/44/59/49/662445949.db2.gz KHYLVWKRPOEDGE-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972555472 662446688 /nfs/dbraw/zinc/44/66/88/662446688.db2.gz OOBAIFQIWOHOGB-NWDGAFQWSA-N 1 1 324.381 -1.160 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[C@H]1CCNC1=O ZINC000972566343 662447942 /nfs/dbraw/zinc/44/79/42/662447942.db2.gz TTXZORIGAWDGDK-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000972574028 662449520 /nfs/dbraw/zinc/44/95/20/662449520.db2.gz WEILNLGFSMBUMG-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972574554 662449708 /nfs/dbraw/zinc/44/97/08/662449708.db2.gz VCQPBUJWLLSQKV-MRVPVSSYSA-N 1 1 306.330 -1.427 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)C1 ZINC001023485248 662449894 /nfs/dbraw/zinc/44/98/94/662449894.db2.gz JQIUCCNGHIMHTN-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001023494481 662450012 /nfs/dbraw/zinc/45/00/12/662450012.db2.gz JWBUGOUUZWAAMU-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972579795 662450425 /nfs/dbraw/zinc/45/04/25/662450425.db2.gz RLHUNKKBTDJLQI-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972579795 662450426 /nfs/dbraw/zinc/45/04/26/662450426.db2.gz RLHUNKKBTDJLQI-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972579793 662450658 /nfs/dbraw/zinc/45/06/58/662450658.db2.gz RLHUNKKBTDJLQI-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972579793 662450659 /nfs/dbraw/zinc/45/06/59/662450659.db2.gz RLHUNKKBTDJLQI-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540061 662451059 /nfs/dbraw/zinc/45/10/59/662451059.db2.gz BULUNSPJUNUNNG-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001023531609 662451070 /nfs/dbraw/zinc/45/10/70/662451070.db2.gz ZLHFRNCLIUFGNP-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540062 662451179 /nfs/dbraw/zinc/45/11/79/662451179.db2.gz BULUNSPJUNUNNG-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001023541821 662451448 /nfs/dbraw/zinc/45/14/48/662451448.db2.gz RXDTUERZCBQFKD-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023554491 662451518 /nfs/dbraw/zinc/45/15/18/662451518.db2.gz FJMKBZHESJEQJO-JFGNBEQYSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001023541540 662451528 /nfs/dbraw/zinc/45/15/28/662451528.db2.gz OFJXELZHJFPVKS-WDEREUQCSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001023566259 662452948 /nfs/dbraw/zinc/45/29/48/662452948.db2.gz LYRHLFITSKLCTN-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001023566259 662452949 /nfs/dbraw/zinc/45/29/49/662452949.db2.gz LYRHLFITSKLCTN-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566846 662453044 /nfs/dbraw/zinc/45/30/44/662453044.db2.gz RXNJYWUIVAQRDO-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001023566132 662453190 /nfs/dbraw/zinc/45/31/90/662453190.db2.gz JMHBZTAAMPNFMY-VXGBXAGGSA-N 1 1 321.385 -1.212 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588494 662453637 /nfs/dbraw/zinc/45/36/37/662453637.db2.gz BQSBARFFTORXRJ-GARJFASQSA-N 1 1 312.370 -1.667 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001023588494 662453638 /nfs/dbraw/zinc/45/36/38/662453638.db2.gz BQSBARFFTORXRJ-GARJFASQSA-N 1 1 312.370 -1.667 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972603329 662455028 /nfs/dbraw/zinc/45/50/28/662455028.db2.gz ATQYLUFUSBULOP-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972603329 662455029 /nfs/dbraw/zinc/45/50/29/662455029.db2.gz ATQYLUFUSBULOP-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001023621142 662455295 /nfs/dbraw/zinc/45/52/95/662455295.db2.gz HZWVDNNLMOYNPT-MNOVXSKESA-N 1 1 312.370 -1.205 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001023621143 662455562 /nfs/dbraw/zinc/45/55/62/662455562.db2.gz HZWVDNNLMOYNPT-QWRGUYRKSA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972610876 662455572 /nfs/dbraw/zinc/45/55/72/662455572.db2.gz VUSTYLLOFVQPAC-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972612581 662455804 /nfs/dbraw/zinc/45/58/04/662455804.db2.gz VEDXYWHGNXZILC-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972612581 662455806 /nfs/dbraw/zinc/45/58/06/662455806.db2.gz VEDXYWHGNXZILC-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023628197 662456001 /nfs/dbraw/zinc/45/60/01/662456001.db2.gz AZAOUOQKFRDVGH-GMTAPVOTSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023628197 662456003 /nfs/dbraw/zinc/45/60/03/662456003.db2.gz AZAOUOQKFRDVGH-GMTAPVOTSA-N 1 1 323.353 -1.958 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001023706265 662457384 /nfs/dbraw/zinc/45/73/84/662457384.db2.gz NPYGNQWHJQFIHS-GMTAPVOTSA-N 1 1 312.370 -1.968 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972644256 662457851 /nfs/dbraw/zinc/45/78/51/662457851.db2.gz WINZWOQFCIFFMY-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972644256 662457853 /nfs/dbraw/zinc/45/78/53/662457853.db2.gz WINZWOQFCIFFMY-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001023737569 662457963 /nfs/dbraw/zinc/45/79/63/662457963.db2.gz RTFYLPZOZZQJIV-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001023736921 662458039 /nfs/dbraw/zinc/45/80/39/662458039.db2.gz JYMUIHHTXIAEEH-JTQLQIEISA-N 1 1 307.354 -1.293 20 0 DAADMO CNC(=O)CN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972672784 662458435 /nfs/dbraw/zinc/45/84/35/662458435.db2.gz AHLONDUQJYNCQS-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753483 662458437 /nfs/dbraw/zinc/45/84/37/662458437.db2.gz HAQKWPSVPXZAOZ-ZJUUUORDSA-N 1 1 318.399 -2.008 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753483 662458438 /nfs/dbraw/zinc/45/84/38/662458438.db2.gz HAQKWPSVPXZAOZ-ZJUUUORDSA-N 1 1 318.399 -2.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763444 662458448 /nfs/dbraw/zinc/45/84/48/662458448.db2.gz NFSVKSDCOKRJKZ-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763216 662458560 /nfs/dbraw/zinc/45/85/60/662458560.db2.gz FLVZEHJTUSZGDJ-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023753568 662458625 /nfs/dbraw/zinc/45/86/25/662458625.db2.gz IZOCJBUYAGJXMV-NEPJUHHUSA-N 1 1 319.427 -1.111 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)nn1 ZINC001023763365 662458796 /nfs/dbraw/zinc/45/87/96/662458796.db2.gz KPRUSOFRJUSXEJ-NSHDSACASA-N 1 1 324.385 -1.412 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972667248 662458835 /nfs/dbraw/zinc/45/88/35/662458835.db2.gz MCXQKUYDJBJEGN-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972667248 662458837 /nfs/dbraw/zinc/45/88/37/662458837.db2.gz MCXQKUYDJBJEGN-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2O)C1 ZINC001023782723 662459065 /nfs/dbraw/zinc/45/90/65/662459065.db2.gz YILSNPJYNIYVIA-CYZMBNFOSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023782287 662459070 /nfs/dbraw/zinc/45/90/70/662459070.db2.gz JXFJCTISWFOTEB-YUSALJHKSA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023782633 662459109 /nfs/dbraw/zinc/45/91/09/662459109.db2.gz VPLISGRRQZJYSE-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CN(CC(N)=O)CCO3)C1 ZINC000972673638 662459114 /nfs/dbraw/zinc/45/91/14/662459114.db2.gz KOKNBYJZNIURTF-DOMZBBRYSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2O)C1 ZINC001023782712 662459133 /nfs/dbraw/zinc/45/91/33/662459133.db2.gz YALFYXQVKHLKKV-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c[nH]1 ZINC001023782271 662459169 /nfs/dbraw/zinc/45/91/69/662459169.db2.gz JRTDMKYZBSRYHH-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001023782271 662459172 /nfs/dbraw/zinc/45/91/72/662459172.db2.gz JRTDMKYZBSRYHH-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001023782271 662459173 /nfs/dbraw/zinc/45/91/73/662459173.db2.gz JRTDMKYZBSRYHH-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023782286 662459198 /nfs/dbraw/zinc/45/91/98/662459198.db2.gz JXFJCTISWFOTEB-MVWJERBFSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2O)C1 ZINC001023782456 662459218 /nfs/dbraw/zinc/45/92/18/662459218.db2.gz OPFMEFVDDRRGON-BFHYXJOUSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2O)C1 ZINC001023782375 662459360 /nfs/dbraw/zinc/45/93/60/662459360.db2.gz MACUILRQPMTLFC-HBNTYKKESA-N 1 1 323.357 -2.687 20 0 DAADMO Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023782700 662459386 /nfs/dbraw/zinc/45/93/86/662459386.db2.gz XPCQTSOGKFAHNV-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2O)C1 ZINC001023783102 662459576 /nfs/dbraw/zinc/45/95/76/662459576.db2.gz DATIGQOPFSFBEA-HBNTYKKESA-N 1 1 324.381 -2.109 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023787372 662459651 /nfs/dbraw/zinc/45/96/51/662459651.db2.gz KIWWBOLICLAEIQ-GMTAPVOTSA-N 1 1 308.338 -1.072 20 0 DAADMO Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023788345 662459837 /nfs/dbraw/zinc/45/98/37/662459837.db2.gz VNLAFMCVXIDBCT-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2O)C1 ZINC001023783721 662459872 /nfs/dbraw/zinc/45/98/72/662459872.db2.gz MQVMAFXIKTXBLR-GMTAPVOTSA-N 1 1 323.357 -2.687 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023782730 662459875 /nfs/dbraw/zinc/45/98/75/662459875.db2.gz YODZPOZSMAIKSK-HBNTYKKESA-N 1 1 301.412 -1.011 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023786917 662459878 /nfs/dbraw/zinc/45/98/78/662459878.db2.gz DAOXGQQULGEMDC-HBNTYKKESA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023786917 662459879 /nfs/dbraw/zinc/45/98/79/662459879.db2.gz DAOXGQQULGEMDC-HBNTYKKESA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023786917 662459881 /nfs/dbraw/zinc/45/98/81/662459881.db2.gz DAOXGQQULGEMDC-HBNTYKKESA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023787734 662459891 /nfs/dbraw/zinc/45/98/91/662459891.db2.gz ORJGVOSTTAKODA-GMTAPVOTSA-N 1 1 323.353 -1.369 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023786762 662459901 /nfs/dbraw/zinc/45/99/01/662459901.db2.gz AZESDKMCKXGPDE-OPRDCNLKSA-N 1 1 323.357 -2.537 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2O)C1 ZINC001023783980 662459913 /nfs/dbraw/zinc/45/99/13/662459913.db2.gz QDDUIGJIURWMTC-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000972685016 662459959 /nfs/dbraw/zinc/45/99/59/662459959.db2.gz KDUQQGLBRXEMHE-CQSZACIVSA-N 1 1 322.369 -1.300 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000972685016 662459965 /nfs/dbraw/zinc/45/99/65/662459965.db2.gz KDUQQGLBRXEMHE-CQSZACIVSA-N 1 1 322.369 -1.300 20 0 DAADMO Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023788366 662460043 /nfs/dbraw/zinc/46/00/43/662460043.db2.gz VZOPWAMPZPCJPH-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2O)C1 ZINC001023783518 662460050 /nfs/dbraw/zinc/46/00/50/662460050.db2.gz JXWZDKKUHHOSCN-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2O)C1 ZINC001023783518 662460054 /nfs/dbraw/zinc/46/00/54/662460054.db2.gz JXWZDKKUHHOSCN-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2O)C1 ZINC001023783518 662460057 /nfs/dbraw/zinc/46/00/57/662460057.db2.gz JXWZDKKUHHOSCN-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023786759 662460188 /nfs/dbraw/zinc/46/01/88/662460188.db2.gz AZESDKMCKXGPDE-IVZWLZJFSA-N 1 1 323.357 -2.537 20 0 DAADMO Cc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023788344 662460249 /nfs/dbraw/zinc/46/02/49/662460249.db2.gz VNLAFMCVXIDBCT-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023793557 662460659 /nfs/dbraw/zinc/46/06/59/662460659.db2.gz JIJXSDLIGQXVNW-NXEZZACHSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795121 662460674 /nfs/dbraw/zinc/46/06/74/662460674.db2.gz AAHQGGAZQNNAST-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)C1 ZINC001023795121 662460677 /nfs/dbraw/zinc/46/06/77/662460677.db2.gz AAHQGGAZQNNAST-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)C1 ZINC001023795121 662460680 /nfs/dbraw/zinc/46/06/80/662460680.db2.gz AAHQGGAZQNNAST-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]2O)C1 ZINC001023789062 662460964 /nfs/dbraw/zinc/46/09/64/662460964.db2.gz PGSFIUVWKWFODQ-PRSXHHODSA-N 1 1 323.393 -1.482 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023801104 662461167 /nfs/dbraw/zinc/46/11/67/662461167.db2.gz LZPKFCSDEWNSCP-NXEZZACHSA-N 1 1 319.325 -1.689 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)n(C)c1=O ZINC000972696636 662461416 /nfs/dbraw/zinc/46/14/16/662461416.db2.gz XLNZTNCAQSQCNW-OAHLLOKOSA-N 1 1 324.381 -1.367 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)n(C)c1=O ZINC000972696636 662461417 /nfs/dbraw/zinc/46/14/17/662461417.db2.gz XLNZTNCAQSQCNW-OAHLLOKOSA-N 1 1 324.381 -1.367 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001023855197 662463196 /nfs/dbraw/zinc/46/31/96/662463196.db2.gz MPSOOPMJOFTMRN-HBNTYKKESA-N 1 1 323.357 -2.687 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001023861563 662463255 /nfs/dbraw/zinc/46/32/55/662463255.db2.gz SKTXAGHZBLNHBD-NEPJUHHUSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001023861569 662463261 /nfs/dbraw/zinc/46/32/61/662463261.db2.gz SKTXAGHZBLNHBD-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972717352 662464521 /nfs/dbraw/zinc/46/45/21/662464521.db2.gz GAOXVPCLHQBVFU-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000972704747 662464591 /nfs/dbraw/zinc/46/45/91/662464591.db2.gz UTDUSMCJCXPJJO-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000972704747 662464593 /nfs/dbraw/zinc/46/45/93/662464593.db2.gz UTDUSMCJCXPJJO-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000972704748 662465142 /nfs/dbraw/zinc/46/51/42/662465142.db2.gz UTDUSMCJCXPJJO-WDEREUQCSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000972704748 662465148 /nfs/dbraw/zinc/46/51/48/662465148.db2.gz UTDUSMCJCXPJJO-WDEREUQCSA-N 1 1 311.386 -1.062 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)CC[N@H+]1C ZINC001023970040 662465465 /nfs/dbraw/zinc/46/54/65/662465465.db2.gz CQPIIAMWNCFNSB-GWOFURMSSA-N 1 1 312.370 -2.110 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001023971168 662465754 /nfs/dbraw/zinc/46/57/54/662465754.db2.gz KBEMNXCNNHKRMU-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722754 662465760 /nfs/dbraw/zinc/46/57/60/662465760.db2.gz ZFWORRKIZCNIEP-SECBINFHSA-N 1 1 306.326 -1.444 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)C1 ZINC001023998997 662466459 /nfs/dbraw/zinc/46/64/59/662466459.db2.gz PXDCPDARAGMXJZ-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)C1 ZINC001023998997 662466463 /nfs/dbraw/zinc/46/64/63/662466463.db2.gz PXDCPDARAGMXJZ-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)C1 ZINC001023999399 662466616 /nfs/dbraw/zinc/46/66/16/662466616.db2.gz VRJTXDHGLPBMKC-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)C1 ZINC001023999399 662466618 /nfs/dbraw/zinc/46/66/18/662466618.db2.gz VRJTXDHGLPBMKC-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794949 662467383 /nfs/dbraw/zinc/46/73/83/662467383.db2.gz VNCCZTJOYDBNAI-ZJUUUORDSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794949 662467389 /nfs/dbraw/zinc/46/73/89/662467389.db2.gz VNCCZTJOYDBNAI-ZJUUUORDSA-N 1 1 307.358 -1.612 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795291 662467655 /nfs/dbraw/zinc/46/76/55/662467655.db2.gz YYGPESBOIJPOJA-GHMZBOCLSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795291 662467656 /nfs/dbraw/zinc/46/76/56/662467656.db2.gz YYGPESBOIJPOJA-GHMZBOCLSA-N 1 1 321.385 -1.270 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972799988 662468067 /nfs/dbraw/zinc/46/80/67/662468067.db2.gz PLMACTKNBDWPNX-NSHDSACASA-N 1 1 319.373 -1.209 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001024092643 662468259 /nfs/dbraw/zinc/46/82/59/662468259.db2.gz FYLASLCCSDOXIN-GHMZBOCLSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001024105906 662468700 /nfs/dbraw/zinc/46/87/00/662468700.db2.gz PADWZGWPTOWXDM-SECBINFHSA-N 1 1 320.361 -1.624 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800049 662468757 /nfs/dbraw/zinc/46/87/57/662468757.db2.gz QWFQBNFTYOYHOK-GHMZBOCLSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800049 662468764 /nfs/dbraw/zinc/46/87/64/662468764.db2.gz QWFQBNFTYOYHOK-GHMZBOCLSA-N 1 1 323.401 -1.024 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001024139769 662469549 /nfs/dbraw/zinc/46/95/49/662469549.db2.gz ZPXGLCWSCPIANF-FDYHWXHSSA-N 1 1 311.382 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)n1 ZINC001024132047 662469770 /nfs/dbraw/zinc/46/97/70/662469770.db2.gz YFGBGPIZHWYWNC-JTQLQIEISA-N 1 1 321.385 -1.196 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001024157954 662470174 /nfs/dbraw/zinc/47/01/74/662470174.db2.gz HVLUMYKDHXRDQP-AXFHLTTASA-N 1 1 321.385 -1.340 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001024155167 662470305 /nfs/dbraw/zinc/47/03/05/662470305.db2.gz LOHDEUGTIPUZPA-OPRDCNLKSA-N 1 1 321.337 -2.066 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024428395 662473881 /nfs/dbraw/zinc/47/38/81/662473881.db2.gz IAXWNNMMHFGXJS-HBNTYKKESA-N 1 1 323.353 -1.369 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001024546141 662476651 /nfs/dbraw/zinc/47/66/51/662476651.db2.gz DKNZPORKHCCOPR-UTUOFQBUSA-N 1 1 324.385 -1.308 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1cnn[nH]1 ZINC001024545461 662476854 /nfs/dbraw/zinc/47/68/54/662476854.db2.gz VFBNSDRIFMPHCN-GHMZBOCLSA-N 1 1 320.353 -1.798 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)C1CC1 ZINC001024549350 662477422 /nfs/dbraw/zinc/47/74/22/662477422.db2.gz CKEQKCRHSSZDDO-IJLUTSLNSA-N 1 1 322.369 -1.554 20 0 DAADMO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935442722 662477587 /nfs/dbraw/zinc/47/75/87/662477587.db2.gz CMNRBVGCSRSFDX-JTQLQIEISA-N 1 1 303.384 -1.548 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935442722 662477592 /nfs/dbraw/zinc/47/75/92/662477592.db2.gz CMNRBVGCSRSFDX-JTQLQIEISA-N 1 1 303.384 -1.548 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024554997 662478211 /nfs/dbraw/zinc/47/82/11/662478211.db2.gz LEFNVZBZXTVVBF-GRYCIOLGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024554997 662478215 /nfs/dbraw/zinc/47/82/15/662478215.db2.gz LEFNVZBZXTVVBF-GRYCIOLGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024554997 662478218 /nfs/dbraw/zinc/47/82/18/662478218.db2.gz LEFNVZBZXTVVBF-GRYCIOLGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC001024552486 662478226 /nfs/dbraw/zinc/47/82/26/662478226.db2.gz RSWYTOYBXXSKCJ-VXGBXAGGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)C1CCC1 ZINC001024552486 662478229 /nfs/dbraw/zinc/47/82/29/662478229.db2.gz RSWYTOYBXXSKCJ-VXGBXAGGSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)C1CCC1 ZINC001024552486 662478231 /nfs/dbraw/zinc/47/82/31/662478231.db2.gz RSWYTOYBXXSKCJ-VXGBXAGGSA-N 1 1 322.369 -1.410 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001024626334 662479827 /nfs/dbraw/zinc/47/98/27/662479827.db2.gz CJAYWXNUDGSAOE-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001024626334 662479829 /nfs/dbraw/zinc/47/98/29/662479829.db2.gz CJAYWXNUDGSAOE-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001024628974 662479987 /nfs/dbraw/zinc/47/99/87/662479987.db2.gz XCUONDDRRKISLG-NWDGAFQWSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001024628974 662479988 /nfs/dbraw/zinc/47/99/88/662479988.db2.gz XCUONDDRRKISLG-NWDGAFQWSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@H+]1CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001024628944 662479998 /nfs/dbraw/zinc/47/99/98/662479998.db2.gz WMKXGMNYFVOOKJ-NWDGAFQWSA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001024596004 662480026 /nfs/dbraw/zinc/48/00/26/662480026.db2.gz NDWLSJALAVOREA-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001024596004 662480027 /nfs/dbraw/zinc/48/00/27/662480027.db2.gz NDWLSJALAVOREA-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001024626336 662480255 /nfs/dbraw/zinc/48/02/55/662480255.db2.gz CJAYWXNUDGSAOE-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001024626336 662480258 /nfs/dbraw/zinc/48/02/58/662480258.db2.gz CJAYWXNUDGSAOE-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001024660532 662480932 /nfs/dbraw/zinc/48/09/32/662480932.db2.gz UOAUOUQICFVAHY-MVWJERBFSA-N 1 1 322.369 -1.932 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705896 662481463 /nfs/dbraw/zinc/48/14/63/662481463.db2.gz ORVPAMYNYJOEMB-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705896 662481466 /nfs/dbraw/zinc/48/14/66/662481466.db2.gz ORVPAMYNYJOEMB-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705895 662481555 /nfs/dbraw/zinc/48/15/55/662481555.db2.gz ORVPAMYNYJOEMB-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705895 662481561 /nfs/dbraw/zinc/48/15/61/662481561.db2.gz ORVPAMYNYJOEMB-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C[C@@H]1C ZINC000947209276 662481772 /nfs/dbraw/zinc/48/17/72/662481772.db2.gz BOGOBEAZKNNBRO-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(=O)n(C)c1=O ZINC001024685887 662481877 /nfs/dbraw/zinc/48/18/77/662481877.db2.gz PUTMWUWETNLXIW-LLVKDONJSA-N 1 1 324.381 -1.339 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001024699020 662482032 /nfs/dbraw/zinc/48/20/32/662482032.db2.gz IJIGTCXVIDDEFS-QJPTWQEYSA-N 1 1 310.354 -1.086 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024702909 662482112 /nfs/dbraw/zinc/48/21/12/662482112.db2.gz KSJNPGQZAFIETM-NXEZZACHSA-N 1 1 319.325 -1.689 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972950383 662482474 /nfs/dbraw/zinc/48/24/74/662482474.db2.gz POPXTZGSFACZCN-DCAQKATOSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951353 662483442 /nfs/dbraw/zinc/48/34/42/662483442.db2.gz VMYVILOAKUKGMZ-DDHJBXDOSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951127 662483458 /nfs/dbraw/zinc/48/34/58/662483458.db2.gz ODLNENADUYWJNC-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972951925 662484162 /nfs/dbraw/zinc/48/41/62/662484162.db2.gz NBBKUPVKJCJYKB-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001024787958 662484211 /nfs/dbraw/zinc/48/42/11/662484211.db2.gz AYIWIUWALDOUPF-VXGBXAGGSA-N 1 1 319.365 -1.193 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCCO)nn1 ZINC001024814371 662484888 /nfs/dbraw/zinc/48/48/88/662484888.db2.gz RWRGYJBJZYPPMF-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001024864020 662486610 /nfs/dbraw/zinc/48/66/10/662486610.db2.gz OIWRKRJIDCJRRT-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)Cn2cnnn2)nn1 ZINC001024861116 662486651 /nfs/dbraw/zinc/48/66/51/662486651.db2.gz NHFBUANQNQXABZ-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001024918238 662487022 /nfs/dbraw/zinc/48/70/22/662487022.db2.gz DAZSMOFJXGGMJI-VECWZWDRSA-N 1 1 323.393 -1.053 20 0 DAADMO CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001024918237 662487472 /nfs/dbraw/zinc/48/74/72/662487472.db2.gz DAZSMOFJXGGMJI-BIWMVHNJSA-N 1 1 323.393 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001024965076 662488310 /nfs/dbraw/zinc/48/83/10/662488310.db2.gz SNXYWCDBQRLJCQ-SNVBAGLBSA-N 1 1 320.361 -1.633 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1nccn1 ZINC001024975846 662488480 /nfs/dbraw/zinc/48/84/80/662488480.db2.gz IQTDKBCZIJLASS-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024972283 662488533 /nfs/dbraw/zinc/48/85/33/662488533.db2.gz USAMVHGCYBBIMA-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000972977745 662488696 /nfs/dbraw/zinc/48/86/96/662488696.db2.gz HFTNAXVLCASPKK-JHJVBQTASA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000972977745 662488698 /nfs/dbraw/zinc/48/86/98/662488698.db2.gz HFTNAXVLCASPKK-JHJVBQTASA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1O ZINC001025010826 662490528 /nfs/dbraw/zinc/49/05/28/662490528.db2.gz ZYSHARBIGCJNAM-DDHJBXDOSA-N 1 1 324.381 -1.953 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001025039704 662492370 /nfs/dbraw/zinc/49/23/70/662492370.db2.gz VHRKBMLRVZJJQC-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)n1 ZINC001025059989 662493822 /nfs/dbraw/zinc/49/38/22/662493822.db2.gz AIDNZZAINJPVCN-VXGBXAGGSA-N 1 1 321.385 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)C(C)(C)C1 ZINC000973055410 662494210 /nfs/dbraw/zinc/49/42/10/662494210.db2.gz ZPXVXHXDCDXURE-GFCCVEGCSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)C(C)(C)C1 ZINC000973055410 662494211 /nfs/dbraw/zinc/49/42/11/662494211.db2.gz ZPXVXHXDCDXURE-GFCCVEGCSA-N 1 1 312.414 -1.109 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)C1CC1 ZINC001025110936 662497492 /nfs/dbraw/zinc/49/74/92/662497492.db2.gz QWPYURICEBBACR-GMTAPVOTSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)C1CC1 ZINC001025110936 662497499 /nfs/dbraw/zinc/49/74/99/662497499.db2.gz QWPYURICEBBACR-GMTAPVOTSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)C1CC1 ZINC001025110937 662498170 /nfs/dbraw/zinc/49/81/70/662498170.db2.gz QWPYURICEBBACR-MXWKQRLJSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)C1CC1 ZINC001025110937 662498173 /nfs/dbraw/zinc/49/81/73/662498173.db2.gz QWPYURICEBBACR-MXWKQRLJSA-N 1 1 322.369 -1.554 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001025142197 662501189 /nfs/dbraw/zinc/50/11/89/662501189.db2.gz QPQUVJNPFSKCBE-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973131145 662503144 /nfs/dbraw/zinc/50/31/44/662503144.db2.gz ZUJUNJFCQNTTSI-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973131145 662503146 /nfs/dbraw/zinc/50/31/46/662503146.db2.gz ZUJUNJFCQNTTSI-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973126565 662503222 /nfs/dbraw/zinc/50/32/22/662503222.db2.gz OWNRFLOCTBSAHC-KKOKHZNYSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973126565 662503225 /nfs/dbraw/zinc/50/32/25/662503225.db2.gz OWNRFLOCTBSAHC-KKOKHZNYSA-N 1 1 324.381 -1.784 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973131146 662503261 /nfs/dbraw/zinc/50/32/61/662503261.db2.gz ZUJUNJFCQNTTSI-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973131146 662503265 /nfs/dbraw/zinc/50/32/65/662503265.db2.gz ZUJUNJFCQNTTSI-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973123843 662503403 /nfs/dbraw/zinc/50/34/03/662503403.db2.gz LDMVLDBLVBZXHA-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973123843 662503404 /nfs/dbraw/zinc/50/34/04/662503404.db2.gz LDMVLDBLVBZXHA-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973123192 662503424 /nfs/dbraw/zinc/50/34/24/662503424.db2.gz AQYXFYRBNIYUDH-SRVKXCTJSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973123192 662503425 /nfs/dbraw/zinc/50/34/25/662503425.db2.gz AQYXFYRBNIYUDH-SRVKXCTJSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1 ZINC000973130271 662503735 /nfs/dbraw/zinc/50/37/35/662503735.db2.gz QRYYHMYRBHBGIL-QXEWZRGKSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1 ZINC000973130271 662503737 /nfs/dbraw/zinc/50/37/37/662503737.db2.gz QRYYHMYRBHBGIL-QXEWZRGKSA-N 1 1 309.326 -1.223 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000973129803 662503758 /nfs/dbraw/zinc/50/37/58/662503758.db2.gz MTOLIZSJKPIHCT-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000973129803 662503759 /nfs/dbraw/zinc/50/37/59/662503759.db2.gz MTOLIZSJKPIHCT-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025239269 662505824 /nfs/dbraw/zinc/50/58/24/662505824.db2.gz BJOPJESYOGKSNP-MVWJERBFSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025245636 662506358 /nfs/dbraw/zinc/50/63/58/662506358.db2.gz ZQGMUWFLNHXMTD-FBIMIBRVSA-N 1 1 309.326 -1.677 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccn3)C2)C1 ZINC001025261556 662507907 /nfs/dbraw/zinc/50/79/07/662507907.db2.gz MSOWMOKMYKLHKM-IJLUTSLNSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)C1 ZINC001025272310 662508322 /nfs/dbraw/zinc/50/83/22/662508322.db2.gz USYWAJSSVDKOGL-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973295788 662509769 /nfs/dbraw/zinc/50/97/69/662509769.db2.gz PSEJQCCAGIAIDR-BJDJZHNGSA-N 1 1 308.382 -1.162 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000973291837 662509959 /nfs/dbraw/zinc/50/99/59/662509959.db2.gz DAZXCXXAIVSHQP-OPRDCNLKSA-N 1 1 307.358 -1.461 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307144 662510209 /nfs/dbraw/zinc/51/02/09/662510209.db2.gz PTRNGTYISTUCQF-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973292514 662510287 /nfs/dbraw/zinc/51/02/87/662510287.db2.gz IMQBNFPMTMANJH-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973308494 662510508 /nfs/dbraw/zinc/51/05/08/662510508.db2.gz RKSIREFSPSDLDL-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973307363 662510838 /nfs/dbraw/zinc/51/08/38/662510838.db2.gz APRJPFPZGGMTPX-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO CCOCC(=O)NNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000066699391 662511028 /nfs/dbraw/zinc/51/10/28/662511028.db2.gz OIYSSGNCESCOGL-UHFFFAOYSA-N 1 1 315.374 -1.483 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000973331354 662511067 /nfs/dbraw/zinc/51/10/67/662511067.db2.gz RKYLQFMJDQSWPX-LZQZFOIKSA-N 1 1 323.397 -1.229 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000973354747 662511702 /nfs/dbraw/zinc/51/17/02/662511702.db2.gz DWDDFEWLWQXCPU-XWLWVQCSSA-N 1 1 310.354 -1.902 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973432513 662513444 /nfs/dbraw/zinc/51/34/44/662513444.db2.gz FOVUVXHRTPVHGU-DDHJBXDOSA-N 1 1 323.397 -1.085 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973432514 662513565 /nfs/dbraw/zinc/51/35/65/662513565.db2.gz FOVUVXHRTPVHGU-FIQHERPVSA-N 1 1 323.397 -1.085 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025379280 662515302 /nfs/dbraw/zinc/51/53/02/662515302.db2.gz JODAFRHXCZENEG-IWSPIJDZSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025379280 662515305 /nfs/dbraw/zinc/51/53/05/662515305.db2.gz JODAFRHXCZENEG-IWSPIJDZSA-N 1 1 300.315 -3.510 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1O ZINC001025381097 662515558 /nfs/dbraw/zinc/51/55/58/662515558.db2.gz CVRFUMBDBYSDLW-RULNRJAQSA-N 1 1 310.354 -2.355 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973457674 662515668 /nfs/dbraw/zinc/51/56/68/662515668.db2.gz PTHMKUHBOZUWSX-DCAQKATOSA-N 1 1 320.353 -1.364 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000973510163 662519400 /nfs/dbraw/zinc/51/94/00/662519400.db2.gz CMROONINRRAZRP-DCAQKATOSA-N 1 1 321.385 -1.071 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973520279 662519709 /nfs/dbraw/zinc/51/97/09/662519709.db2.gz HPKKOWWXJQXNFS-GMTAPVOTSA-N 1 1 312.370 -1.656 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973520279 662519711 /nfs/dbraw/zinc/51/97/11/662519711.db2.gz HPKKOWWXJQXNFS-GMTAPVOTSA-N 1 1 312.370 -1.656 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973532149 662520103 /nfs/dbraw/zinc/52/01/03/662520103.db2.gz YUGPAWHELFDJQM-BJDJZHNGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001025460954 662520944 /nfs/dbraw/zinc/52/09/44/662520944.db2.gz BHJWMHKFJKMBFS-FDYHWXHSSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000408025148 662520976 /nfs/dbraw/zinc/52/09/76/662520976.db2.gz OMGBOXYQIMLOQD-LBPRGKRZSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000408025148 662520978 /nfs/dbraw/zinc/52/09/78/662520978.db2.gz OMGBOXYQIMLOQD-LBPRGKRZSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001019368390 662521963 /nfs/dbraw/zinc/52/19/63/662521963.db2.gz SOSKEORWALYYLX-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001025505177 662522830 /nfs/dbraw/zinc/52/28/30/662522830.db2.gz ADOLLYHRQKFNDT-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702335 662523956 /nfs/dbraw/zinc/52/39/56/662523956.db2.gz DFELNGFVWUVKFP-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702335 662523958 /nfs/dbraw/zinc/52/39/58/662523958.db2.gz DFELNGFVWUVKFP-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC001007709564 662524574 /nfs/dbraw/zinc/52/45/74/662524574.db2.gz CWLNVAMMWNHFPK-NHYWBVRUSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001025685849 662525325 /nfs/dbraw/zinc/52/53/25/662525325.db2.gz WWDRLQNKEWEVIJ-GMTAPVOTSA-N 1 1 312.370 -2.109 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686061 662525380 /nfs/dbraw/zinc/52/53/80/662525380.db2.gz HTKZBCVAGRUHPH-VLLVSFFDSA-N 1 1 323.349 -1.747 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001025683570 662525512 /nfs/dbraw/zinc/52/55/12/662525512.db2.gz ORNFTUISMGNBOL-MVWJERBFSA-N 1 1 323.353 -1.145 20 0 DAADMO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001025663893 662525739 /nfs/dbraw/zinc/52/57/39/662525739.db2.gz LOCUPECAAUYTSF-TVEHIPJCSA-N 1 1 320.393 -1.353 20 0 DAADMO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001025663893 662525745 /nfs/dbraw/zinc/52/57/45/662525745.db2.gz LOCUPECAAUYTSF-TVEHIPJCSA-N 1 1 320.393 -1.353 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001025705250 662526967 /nfs/dbraw/zinc/52/69/67/662526967.db2.gz KNZSHCPHTGJLAD-YFVNTRNASA-N 1 1 309.366 -1.070 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001025726172 662527294 /nfs/dbraw/zinc/52/72/94/662527294.db2.gz FBMBICCTTLSSKZ-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025708876 662527335 /nfs/dbraw/zinc/52/73/35/662527335.db2.gz NEKFZJCVUKPSRY-OQEOFVATSA-N 1 1 306.366 -1.458 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719413 662527479 /nfs/dbraw/zinc/52/74/79/662527479.db2.gz UZLFHOUAYTZGGD-BNDIWNMDSA-N 1 1 310.398 -1.502 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719315 662527536 /nfs/dbraw/zinc/52/75/36/662527536.db2.gz HDMNZUUKWRDAEI-FPYNETTCSA-N 1 1 308.382 -1.748 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719889 662527643 /nfs/dbraw/zinc/52/76/43/662527643.db2.gz WPWIFPJEPGKOLR-MLGHIDQZSA-N 1 1 310.398 -1.373 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001025726173 662527788 /nfs/dbraw/zinc/52/77/88/662527788.db2.gz FBMBICCTTLSSKZ-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001025735287 662528799 /nfs/dbraw/zinc/52/87/99/662528799.db2.gz NSEZNGHJVXRLFY-YFVNTRNASA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001025740968 662529037 /nfs/dbraw/zinc/52/90/37/662529037.db2.gz KNUZUSYQEYFKPM-GHMZBOCLSA-N 1 1 322.369 -1.869 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025737359 662529094 /nfs/dbraw/zinc/52/90/94/662529094.db2.gz KLRAHNWPMKMWHE-GRZGAGJTSA-N 1 1 307.350 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)C1 ZINC001025785279 662531789 /nfs/dbraw/zinc/53/17/89/662531789.db2.gz KDIDTPSBPBNYMV-YNEHKIRRSA-N 1 1 319.365 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808294 662532292 /nfs/dbraw/zinc/53/22/92/662532292.db2.gz KWBPUYVCQRUELL-MOWSAHLDSA-N 1 1 322.409 -1.012 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798646 662532413 /nfs/dbraw/zinc/53/24/13/662532413.db2.gz CBDSWKSRPJPBRT-DIACKHNESA-N 1 1 308.382 -1.619 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808295 662532805 /nfs/dbraw/zinc/53/28/05/662532805.db2.gz KWBPUYVCQRUELL-SSKLVLDBSA-N 1 1 322.409 -1.012 20 0 DAADMO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001025811843 662533255 /nfs/dbraw/zinc/53/32/55/662533255.db2.gz VWLPFEJWKRVMLY-OVKLUEDNSA-N 1 1 311.382 -1.040 20 0 DAADMO CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001025811843 662533259 /nfs/dbraw/zinc/53/32/59/662533259.db2.gz VWLPFEJWKRVMLY-OVKLUEDNSA-N 1 1 311.382 -1.040 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001025815361 662533303 /nfs/dbraw/zinc/53/33/03/662533303.db2.gz FABIBLUAASFGMG-LVEVGFFFSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC001025815683 662533449 /nfs/dbraw/zinc/53/34/49/662533449.db2.gz BSMIOSGLFGKSIM-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC001025815683 662533452 /nfs/dbraw/zinc/53/34/52/662533452.db2.gz BSMIOSGLFGKSIM-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808643 662533502 /nfs/dbraw/zinc/53/35/02/662533502.db2.gz HUTLLCGQHJZWKR-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808643 662533504 /nfs/dbraw/zinc/53/35/04/662533504.db2.gz HUTLLCGQHJZWKR-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC001025811940 662533538 /nfs/dbraw/zinc/53/35/38/662533538.db2.gz UCUIYGNEWVSEGN-YBRCUDMCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC001025811940 662533543 /nfs/dbraw/zinc/53/35/43/662533543.db2.gz UCUIYGNEWVSEGN-YBRCUDMCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC001025815684 662533562 /nfs/dbraw/zinc/53/35/62/662533562.db2.gz BSMIOSGLFGKSIM-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC001025815684 662533566 /nfs/dbraw/zinc/53/35/66/662533566.db2.gz BSMIOSGLFGKSIM-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025811926 662533627 /nfs/dbraw/zinc/53/36/27/662533627.db2.gz PSDHFVIXQVLXSY-OVKLUEDNSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001025815454 662533666 /nfs/dbraw/zinc/53/36/66/662533666.db2.gz PRTYIEKMFVNQTM-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1=O ZINC001025808816 662533973 /nfs/dbraw/zinc/53/39/73/662533973.db2.gz HGROUFDCDRWMQA-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808642 662533984 /nfs/dbraw/zinc/53/39/84/662533984.db2.gz HUTLLCGQHJZWKR-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808642 662533985 /nfs/dbraw/zinc/53/39/85/662533985.db2.gz HUTLLCGQHJZWKR-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001025842654 662534198 /nfs/dbraw/zinc/53/41/98/662534198.db2.gz UOJAYFKFRQSGDL-ODXJTPSBSA-N 1 1 324.425 -1.112 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001025815805 662534326 /nfs/dbraw/zinc/53/43/26/662534326.db2.gz BRAUNKRDCUBXIF-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025814130 662534331 /nfs/dbraw/zinc/53/43/31/662534331.db2.gz NLDKALKBCFQHLQ-IIEKFROSSA-N 1 1 322.365 -1.333 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816456 662534423 /nfs/dbraw/zinc/53/44/23/662534423.db2.gz SOABRYVRIAKUMM-OJROKELRSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCNC(=O)C1 ZINC001025818583 662534544 /nfs/dbraw/zinc/53/45/44/662534544.db2.gz RGUNTUQKOBKJNQ-IWAHSAMASA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001025820736 662534708 /nfs/dbraw/zinc/53/47/08/662534708.db2.gz LYFAQMAXQIPAJJ-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001025821259 662534616 /nfs/dbraw/zinc/53/46/16/662534616.db2.gz GEOFQIVROSHIHW-OQEOFVATSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816114 662534621 /nfs/dbraw/zinc/53/46/21/662534621.db2.gz FDXDMHKKOKPHEK-TUTUZKQUSA-N 1 1 306.366 -1.410 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814199 662534674 /nfs/dbraw/zinc/53/46/74/662534674.db2.gz XWVWSYUBAFIOBO-ZCLKDUABSA-N 1 1 323.353 -2.235 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001025820736 662534706 /nfs/dbraw/zinc/53/47/06/662534706.db2.gz LYFAQMAXQIPAJJ-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001025848882 662534956 /nfs/dbraw/zinc/53/49/56/662534956.db2.gz KVHNYPUDZPFVJG-ZTVLKNOQSA-N 1 1 308.382 -1.177 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001019975859 662536720 /nfs/dbraw/zinc/53/67/20/662536720.db2.gz MGVBYDURVXQZJX-KYZUINATSA-N 1 1 321.345 -1.441 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1)c1nnnn1C ZINC001019998697 662537294 /nfs/dbraw/zinc/53/72/94/662537294.db2.gz RKVKNICFLNTRMM-NAKRPEOUSA-N 1 1 310.358 -1.077 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019978803 662537401 /nfs/dbraw/zinc/53/74/01/662537401.db2.gz WLMTUOFSOFZGSJ-MGCOHNPYSA-N 1 1 320.361 -1.493 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001020108173 662538042 /nfs/dbraw/zinc/53/80/42/662538042.db2.gz TULKUSZNUPSUCM-ZKCHVHJHSA-N 1 1 307.314 -1.448 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001025921871 662539043 /nfs/dbraw/zinc/53/90/43/662539043.db2.gz IVKVORFEEMJYRB-GYNNRVIJSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001025922602 662539301 /nfs/dbraw/zinc/53/93/01/662539301.db2.gz WDQSGMPNQCNZGK-FBSDCJDYSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025939247 662539662 /nfs/dbraw/zinc/53/96/62/662539662.db2.gz GXQHVLKLVULBLS-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001025936713 662539823 /nfs/dbraw/zinc/53/98/23/662539823.db2.gz BNGKUXGIGDXXIC-SSKLVLDBSA-N 1 1 320.393 -1.223 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025938412 662539910 /nfs/dbraw/zinc/53/99/10/662539910.db2.gz XFJMIKJVGORHEZ-VLLVSFFDSA-N 1 1 308.382 -1.368 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001025941604 662540099 /nfs/dbraw/zinc/54/00/99/662540099.db2.gz CSMVRPCKFROTND-KHAFSYESSA-N 1 1 320.393 -1.164 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958963 662540163 /nfs/dbraw/zinc/54/01/63/662540163.db2.gz UCVCBJNVZUTJST-HHHUOAJASA-N 1 1 308.382 -1.225 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025941580 662540193 /nfs/dbraw/zinc/54/01/93/662540193.db2.gz AOHIHTNKLBLTJE-PREPNJAASA-N 1 1 306.366 -1.600 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025958974 662540233 /nfs/dbraw/zinc/54/02/33/662540233.db2.gz ULEYKFDRJABSKR-GCHJQGSQSA-N 1 1 306.366 -1.600 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943583 662540246 /nfs/dbraw/zinc/54/02/46/662540246.db2.gz JGHPQOVDDQVFDK-QUARPLMYSA-N 1 1 309.370 -1.809 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1=O ZINC001025958949 662540294 /nfs/dbraw/zinc/54/02/94/662540294.db2.gz RMVLNFYZQDFAMU-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025945241 662540309 /nfs/dbraw/zinc/54/03/09/662540309.db2.gz RGCROTKBBSFZRA-VGDATSSVSA-N 1 1 306.366 -1.458 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001025939546 662540314 /nfs/dbraw/zinc/54/03/14/662540314.db2.gz QALBDHYLYDNRMG-LVEVGFFFSA-N 1 1 321.381 -1.713 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1=O ZINC001025958886 662540380 /nfs/dbraw/zinc/54/03/80/662540380.db2.gz KPVBTDUBAGBMPX-LBELIVKGSA-N 1 1 320.393 -1.258 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001025958885 662540495 /nfs/dbraw/zinc/54/04/95/662540495.db2.gz KPVBTDUBAGBMPX-KIJLLGNVSA-N 1 1 320.393 -1.258 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC(=O)NC1 ZINC001025965104 662540706 /nfs/dbraw/zinc/54/07/06/662540706.db2.gz SXYIGHPVCGSTPV-RMERFRFWSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC(=O)NC1 ZINC001025965102 662540761 /nfs/dbraw/zinc/54/07/61/662540761.db2.gz SXYIGHPVCGSTPV-GCCGGCASSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025967865 662540769 /nfs/dbraw/zinc/54/07/69/662540769.db2.gz RGCROTKBBSFZRA-TUTUZKQUSA-N 1 1 306.366 -1.458 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001025994231 662541072 /nfs/dbraw/zinc/54/10/72/662541072.db2.gz KJEDJLYSALPGHE-FBDQPXRJSA-N 1 1 309.370 -1.809 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025993885 662540853 /nfs/dbraw/zinc/54/08/53/662540853.db2.gz FOZWAYYZZBTHJF-OGBGREFGSA-N 1 1 307.354 -2.007 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001026036168 662541026 /nfs/dbraw/zinc/54/10/26/662541026.db2.gz FCSRPZAIWCMRBW-UXSWQMMLSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCCCC(=O)N1 ZINC001026033000 662541202 /nfs/dbraw/zinc/54/12/02/662541202.db2.gz HJFVYBIXILRSFO-OJROKELRSA-N 1 1 320.393 -1.020 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001026019761 662541212 /nfs/dbraw/zinc/54/12/12/662541212.db2.gz VUHXEBBYVJOZGJ-HGBDMZGYSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001026049829 662541360 /nfs/dbraw/zinc/54/13/60/662541360.db2.gz NAXCYDVXQWZXGL-KTWSDMTRSA-N 1 1 308.382 -1.369 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026044547 662541444 /nfs/dbraw/zinc/54/14/44/662541444.db2.gz PRVNCNIIJGKJBF-MJYBNVITSA-N 1 1 320.393 -1.354 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC001026044207 662541447 /nfs/dbraw/zinc/54/14/47/662541447.db2.gz LSUDWBKTCZQNIJ-SSKLVLDBSA-N 1 1 319.413 -1.046 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001026036800 662541462 /nfs/dbraw/zinc/54/14/62/662541462.db2.gz FZIUJLREDYIIBY-QABNJGPSSA-N 1 1 308.382 -1.307 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026050870 662541475 /nfs/dbraw/zinc/54/14/75/662541475.db2.gz SYYHWMKEKBEVDY-PDWLFKFUSA-N 1 1 320.393 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026039137 662541480 /nfs/dbraw/zinc/54/14/80/662541480.db2.gz VTCIIGYPLLHZFR-IXJGYNTHSA-N 1 1 324.381 -1.800 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026049860 662541493 /nfs/dbraw/zinc/54/14/93/662541493.db2.gz PLASZSLTDSDAKZ-OWSRUXPGSA-N 1 1 306.366 -1.615 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026037477 662541577 /nfs/dbraw/zinc/54/15/77/662541577.db2.gz WJPDLTGPVYCCDU-ALMWHKAHSA-N 1 1 310.354 -2.061 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026037477 662541580 /nfs/dbraw/zinc/54/15/80/662541580.db2.gz WJPDLTGPVYCCDU-ALMWHKAHSA-N 1 1 310.354 -2.061 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026049565 662541586 /nfs/dbraw/zinc/54/15/86/662541586.db2.gz VMLBSEGMNVYNGU-OWSRUXPGSA-N 1 1 306.366 -1.567 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CCNC1=O ZINC001026036820 662541616 /nfs/dbraw/zinc/54/16/16/662541616.db2.gz GEAZCLLRLVDDLL-XMQPUEPBSA-N 1 1 320.393 -1.162 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077586 662541790 /nfs/dbraw/zinc/54/17/90/662541790.db2.gz DWDLVKPUCVNOEJ-GOVZDWNOSA-N 1 1 310.354 -1.334 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001026138972 662541951 /nfs/dbraw/zinc/54/19/51/662541951.db2.gz QCHPOKRYQTYNAB-HHHUOAJASA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001026138972 662541952 /nfs/dbraw/zinc/54/19/52/662541952.db2.gz QCHPOKRYQTYNAB-HHHUOAJASA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001026101211 662541993 /nfs/dbraw/zinc/54/19/93/662541993.db2.gz CNKICSJIVZUDHO-ZIQFBCGOSA-N 1 1 317.411 -1.553 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026103178 662542120 /nfs/dbraw/zinc/54/21/20/662542120.db2.gz FMQDPUOZMYTAAX-OVKLUEDNSA-N 1 1 320.393 -1.020 20 0 DAADMO Cn1c2[nH]c(N3CC[N@@H+]4CCOC[C@@H]4C3)nc2c(=O)n(C)c1=O ZINC000893160435 662542304 /nfs/dbraw/zinc/54/23/04/662542304.db2.gz WIUQPLHRZHVFTP-VIFPVBQESA-N 1 1 320.353 -1.519 20 0 DAADMO Cn1c2[nH]c(N3CC[N@H+]4CCOC[C@@H]4C3)nc2c(=O)n(C)c1=O ZINC000893160435 662542307 /nfs/dbraw/zinc/54/23/07/662542307.db2.gz WIUQPLHRZHVFTP-VIFPVBQESA-N 1 1 320.353 -1.519 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001026139765 662542311 /nfs/dbraw/zinc/54/23/11/662542311.db2.gz QLMZYRGAZWJURX-DUYQIWHPSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001026139765 662542313 /nfs/dbraw/zinc/54/23/13/662542313.db2.gz QLMZYRGAZWJURX-DUYQIWHPSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001026103004 662542397 /nfs/dbraw/zinc/54/23/97/662542397.db2.gz ZZFLRIKTHLUBLP-BYPDJSTDSA-N 1 1 322.365 -1.598 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026078047 662542456 /nfs/dbraw/zinc/54/24/56/662542456.db2.gz RPLVQPSLIXZMLJ-GOVZDWNOSA-N 1 1 310.354 -1.334 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1=O ZINC001026149703 662542642 /nfs/dbraw/zinc/54/26/42/662542642.db2.gz RSUIWOUEEDHIAB-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141653 662542853 /nfs/dbraw/zinc/54/28/53/662542853.db2.gz FCIFVWWQTKOHGF-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141654 662542929 /nfs/dbraw/zinc/54/29/29/662542929.db2.gz FCIFVWWQTKOHGF-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O ZINC001026147612 662542933 /nfs/dbraw/zinc/54/29/33/662542933.db2.gz CRXUOHITQHUVBU-PREPNJAASA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O ZINC001026147612 662542935 /nfs/dbraw/zinc/54/29/35/662542935.db2.gz CRXUOHITQHUVBU-PREPNJAASA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001026148847 662542953 /nfs/dbraw/zinc/54/29/53/662542953.db2.gz RMTDHRCWJUOBPX-HKLXJQGRSA-N 1 1 318.381 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001026148847 662542955 /nfs/dbraw/zinc/54/29/55/662542955.db2.gz RMTDHRCWJUOBPX-HKLXJQGRSA-N 1 1 318.381 -1.239 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026143811 662543044 /nfs/dbraw/zinc/54/30/44/662543044.db2.gz PPFLVXVPDXRDJZ-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC1=O ZINC001026149702 662543085 /nfs/dbraw/zinc/54/30/85/662543085.db2.gz RSUIWOUEEDHIAB-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141736 662543114 /nfs/dbraw/zinc/54/31/14/662543114.db2.gz NEKFZJCVUKPSRY-VLLVSFFDSA-N 1 1 306.366 -1.458 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141797 662543133 /nfs/dbraw/zinc/54/31/33/662543133.db2.gz XODVNAUYMDZIAS-VGDATSSVSA-N 1 1 306.366 -1.410 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026143949 662543216 /nfs/dbraw/zinc/54/32/16/662543216.db2.gz VYTSLIDATHRRSF-LPUQOGTASA-N 1 1 311.382 -1.339 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154760 662543348 /nfs/dbraw/zinc/54/33/48/662543348.db2.gz PNNKEXGUKGSQAJ-LGMRYKSHSA-N 1 1 322.365 -1.780 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026154874 662543664 /nfs/dbraw/zinc/54/36/64/662543664.db2.gz ZZZSATXERVMYPU-YANYRWCTSA-N 1 1 320.349 -2.026 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000973858783 662544337 /nfs/dbraw/zinc/54/43/37/662544337.db2.gz AFJOEWXITHNOTE-WISYIIOYSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973866741 662544470 /nfs/dbraw/zinc/54/44/70/662544470.db2.gz YYMADOBJSGMYNI-GARJFASQSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973864472 662544688 /nfs/dbraw/zinc/54/46/88/662544688.db2.gz HMMJKYRZQNCAAP-SDDRHHMPSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)n1 ZINC001026222414 662544896 /nfs/dbraw/zinc/54/48/96/662544896.db2.gz FALJUMHAXMLJAE-IVZWLZJFSA-N 1 1 307.358 -1.588 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973865060 662545027 /nfs/dbraw/zinc/54/50/27/662545027.db2.gz MWTTZWIDJQOTGS-PHIMTYICSA-N 1 1 318.341 -1.358 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001007831166 662545302 /nfs/dbraw/zinc/54/53/02/662545302.db2.gz GSQKXPWULUJZRI-NSHDSACASA-N 1 1 310.354 -1.088 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000973949955 662545986 /nfs/dbraw/zinc/54/59/86/662545986.db2.gz JWWQBDXEQRMKOK-LMLFDSFASA-N 1 1 310.354 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000973949969 662546029 /nfs/dbraw/zinc/54/60/29/662546029.db2.gz JWWQBDXEQRMKOK-VLEAKVRGSA-N 1 1 310.354 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000973963865 662546342 /nfs/dbraw/zinc/54/63/42/662546342.db2.gz HOXIFZHSFGXJML-USZNOCQGSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000947671086 662546749 /nfs/dbraw/zinc/54/67/49/662546749.db2.gz KSYGOAPJXOAHRW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000973967550 662546763 /nfs/dbraw/zinc/54/67/63/662546763.db2.gz UYEMOSQMPPIABX-CSYMLDBXSA-N 1 1 308.382 -1.035 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973996233 662547228 /nfs/dbraw/zinc/54/72/28/662547228.db2.gz FMEHTQUMWSPRFF-AXFHLTTASA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973996233 662547233 /nfs/dbraw/zinc/54/72/33/662547233.db2.gz FMEHTQUMWSPRFF-AXFHLTTASA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973990288 662547268 /nfs/dbraw/zinc/54/72/68/662547268.db2.gz AQYXFYRBNIYUDH-GRYCIOLGSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973990288 662547271 /nfs/dbraw/zinc/54/72/71/662547271.db2.gz AQYXFYRBNIYUDH-GRYCIOLGSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973990420 662547459 /nfs/dbraw/zinc/54/74/59/662547459.db2.gz BQAOSDBTVBIVBE-WHOHXGKFSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973990420 662547461 /nfs/dbraw/zinc/54/74/61/662547461.db2.gz BQAOSDBTVBIVBE-WHOHXGKFSA-N 1 1 324.381 -1.641 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000974002388 662547588 /nfs/dbraw/zinc/54/75/88/662547588.db2.gz ZUJUNJFCQNTTSI-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000974002388 662547591 /nfs/dbraw/zinc/54/75/91/662547591.db2.gz ZUJUNJFCQNTTSI-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000974052644 662548609 /nfs/dbraw/zinc/54/86/09/662548609.db2.gz MKFDDCMRKGFKMO-GARJFASQSA-N 1 1 322.369 -1.301 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000974087671 662550367 /nfs/dbraw/zinc/55/03/67/662550367.db2.gz ZLEDBRABUIABKK-MMWGEVLESA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000974087672 662550487 /nfs/dbraw/zinc/55/04/87/662550487.db2.gz ZLEDBRABUIABKK-UKKRHICBSA-N 1 1 310.354 -1.190 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974152392 662551635 /nfs/dbraw/zinc/55/16/35/662551635.db2.gz MKEGSOCHBODQIH-PHIMTYICSA-N 1 1 318.341 -1.358 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974145562 662551944 /nfs/dbraw/zinc/55/19/44/662551944.db2.gz BQYRLLJSHINTHX-UKKRHICBSA-N 1 1 309.370 -1.617 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974145561 662552026 /nfs/dbraw/zinc/55/20/26/662552026.db2.gz BQYRLLJSHINTHX-MMWGEVLESA-N 1 1 309.370 -1.617 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000974150627 662552084 /nfs/dbraw/zinc/55/20/84/662552084.db2.gz TVQDJGJKRMIBKN-HGCLJGPKSA-N 1 1 308.382 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974165377 662552901 /nfs/dbraw/zinc/55/29/01/662552901.db2.gz FCBNMQQHPBQADI-PHIMTYICSA-N 1 1 318.341 -1.358 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006632928 662554022 /nfs/dbraw/zinc/55/40/22/662554022.db2.gz RMDYJBVHLZCBMP-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000974212010 662554057 /nfs/dbraw/zinc/55/40/57/662554057.db2.gz DWDDFEWLWQXCPU-VLEAKVRGSA-N 1 1 310.354 -1.902 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947310291 662555853 /nfs/dbraw/zinc/55/58/53/662555853.db2.gz OVPGPSKVXDYHMQ-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cnnn1C ZINC000947310291 662555863 /nfs/dbraw/zinc/55/58/63/662555863.db2.gz OVPGPSKVXDYHMQ-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000949938702 662556543 /nfs/dbraw/zinc/55/65/43/662556543.db2.gz MMOHUJQOUSOPQI-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000949938704 662556849 /nfs/dbraw/zinc/55/68/49/662556849.db2.gz MMOHUJQOUSOPQI-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000974343917 662558688 /nfs/dbraw/zinc/55/86/88/662558688.db2.gz YFSNZFQJLZBGTC-FSELMYKTSA-N 1 1 322.365 -1.902 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974370724 662560373 /nfs/dbraw/zinc/56/03/73/662560373.db2.gz WVNMNWHMQXJABK-UKKRHICBSA-N 1 1 321.385 -1.215 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472478 662562644 /nfs/dbraw/zinc/56/26/44/662562644.db2.gz NCEVATVFWBZWBE-VHSXEESVSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472478 662562646 /nfs/dbraw/zinc/56/26/46/662562646.db2.gz NCEVATVFWBZWBE-VHSXEESVSA-N 1 1 324.385 -1.055 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974471321 662562744 /nfs/dbraw/zinc/56/27/44/662562744.db2.gz GEJUSCONFGCNJS-ZJUUUORDSA-N 1 1 322.369 -1.301 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974471321 662562746 /nfs/dbraw/zinc/56/27/46/662562746.db2.gz GEJUSCONFGCNJS-ZJUUUORDSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473191 662562974 /nfs/dbraw/zinc/56/29/74/662562974.db2.gz SCTLCMFKVKXESQ-IUCAKERBSA-N 1 1 310.358 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473191 662562979 /nfs/dbraw/zinc/56/29/79/662562979.db2.gz SCTLCMFKVKXESQ-IUCAKERBSA-N 1 1 310.358 -1.316 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC001026776784 662563164 /nfs/dbraw/zinc/56/31/64/662563164.db2.gz ORZPLQGEBSKYHW-WDEREUQCSA-N 1 1 321.385 -1.326 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001008555901 662563174 /nfs/dbraw/zinc/56/31/74/662563174.db2.gz GPLFBXIFGKAYLM-TUAOUCFPSA-N 1 1 306.370 -1.020 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)n1 ZINC001026792160 662563530 /nfs/dbraw/zinc/56/35/30/662563530.db2.gz RLBJMQHZUWUUCO-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001026820437 662563889 /nfs/dbraw/zinc/56/38/89/662563889.db2.gz MRPNASIJPPVKJN-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001026819166 662563943 /nfs/dbraw/zinc/56/39/43/662563943.db2.gz NWYHPHPCKZJHSI-DTWKUNHWSA-N 1 1 309.330 -1.743 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001026819168 662564087 /nfs/dbraw/zinc/56/40/87/662564087.db2.gz NWYHPHPCKZJHSI-RKDXNWHRSA-N 1 1 309.330 -1.743 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603766 662564313 /nfs/dbraw/zinc/56/43/13/662564313.db2.gz NYPNAXZYQGRWRQ-UWVGGRQHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603766 662564314 /nfs/dbraw/zinc/56/43/14/662564314.db2.gz NYPNAXZYQGRWRQ-UWVGGRQHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974596763 662564333 /nfs/dbraw/zinc/56/43/33/662564333.db2.gz VZNGZBGWPDHCFI-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974596763 662564338 /nfs/dbraw/zinc/56/43/38/662564338.db2.gz VZNGZBGWPDHCFI-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603768 662564349 /nfs/dbraw/zinc/56/43/49/662564349.db2.gz NYPNAXZYQGRWRQ-VHSXEESVSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603768 662564352 /nfs/dbraw/zinc/56/43/52/662564352.db2.gz NYPNAXZYQGRWRQ-VHSXEESVSA-N 1 1 307.358 -1.612 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602712 662564415 /nfs/dbraw/zinc/56/44/15/662564415.db2.gz LYYIDMCENPRADD-NXEZZACHSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602712 662564418 /nfs/dbraw/zinc/56/44/18/662564418.db2.gz LYYIDMCENPRADD-NXEZZACHSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597472 662564444 /nfs/dbraw/zinc/56/44/44/662564444.db2.gz FFEZXZPRYZBGTP-VHSXEESVSA-N 1 1 324.385 -1.416 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600872 662564692 /nfs/dbraw/zinc/56/46/92/662564692.db2.gz HYUIKCCYILONSZ-QWRGUYRKSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600872 662564696 /nfs/dbraw/zinc/56/46/96/662564696.db2.gz HYUIKCCYILONSZ-QWRGUYRKSA-N 1 1 323.401 -1.024 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001026844784 662564975 /nfs/dbraw/zinc/56/49/75/662564975.db2.gz QBOBWWFRUKLTPU-SECBINFHSA-N 1 1 306.334 -2.165 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000974598390 662564991 /nfs/dbraw/zinc/56/49/91/662564991.db2.gz HMNXECLWJZWCSG-VIFPVBQESA-N 1 1 310.358 -1.804 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000974646170 662565426 /nfs/dbraw/zinc/56/54/26/662565426.db2.gz UAXPTQDTCDWLDJ-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC000974651172 662565818 /nfs/dbraw/zinc/56/58/18/662565818.db2.gz BOAHILUGRDZVBP-LLVKDONJSA-N 1 1 324.381 -1.634 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000974681187 662565847 /nfs/dbraw/zinc/56/58/47/662565847.db2.gz SJCTXIHRNIAABQ-VHSXEESVSA-N 1 1 312.370 -1.207 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)n1 ZINC001026898492 662566053 /nfs/dbraw/zinc/56/60/53/662566053.db2.gz LXXZXOUXXPWEOU-VIFPVBQESA-N 1 1 309.374 -1.340 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC001026933297 662566094 /nfs/dbraw/zinc/56/60/94/662566094.db2.gz HYHIKQAFRTWEPV-WDEREUQCSA-N 1 1 321.385 -1.326 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@H+](C)[C@@H](CO)C1)C(C)C ZINC000931399465 662566319 /nfs/dbraw/zinc/56/63/19/662566319.db2.gz QSTQTJXINYQPMZ-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@@H+](C)[C@@H](CO)C1)C(C)C ZINC000931399465 662566322 /nfs/dbraw/zinc/56/63/22/662566322.db2.gz QSTQTJXINYQPMZ-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)n1 ZINC001026902605 662566383 /nfs/dbraw/zinc/56/63/83/662566383.db2.gz NLJRFRGODIRALT-GHMZBOCLSA-N 1 1 321.385 -1.326 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766419 662566558 /nfs/dbraw/zinc/56/65/58/662566558.db2.gz ZWWKSIJTWYYBGM-VHSXEESVSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766419 662566560 /nfs/dbraw/zinc/56/65/60/662566560.db2.gz ZWWKSIJTWYYBGM-VHSXEESVSA-N 1 1 324.385 -1.718 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000974783770 662566584 /nfs/dbraw/zinc/56/65/84/662566584.db2.gz OWKUIANTLMXMAL-JTQLQIEISA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766412 662566803 /nfs/dbraw/zinc/56/68/03/662566803.db2.gz ZWWKSIJTWYYBGM-NXEZZACHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766412 662566807 /nfs/dbraw/zinc/56/68/07/662566807.db2.gz ZWWKSIJTWYYBGM-NXEZZACHSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1cc(S(=O)(=O)NCCN2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000931407207 662566917 /nfs/dbraw/zinc/56/69/17/662566917.db2.gz GGQWTSPEHHAJRX-LLVKDONJSA-N 1 1 317.415 -1.693 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756901 662567052 /nfs/dbraw/zinc/56/70/52/662567052.db2.gz LDRPOWDSHAJANK-MNOVXSKESA-N 1 1 311.386 -1.211 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001026988051 662567118 /nfs/dbraw/zinc/56/71/18/662567118.db2.gz XFEMPRGMRBFXDG-VHSXEESVSA-N 1 1 307.358 -1.716 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)n1 ZINC001026970359 662567159 /nfs/dbraw/zinc/56/71/59/662567159.db2.gz OGYDRKWVFKRGQK-QMTHXVAHSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)n1 ZINC001026970360 662567562 /nfs/dbraw/zinc/56/75/62/662567562.db2.gz OGYDRKWVFKRGQK-YGRLFVJLSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001026993359 662568050 /nfs/dbraw/zinc/56/80/50/662568050.db2.gz CLDLHFANMUKVEO-NXEZZACHSA-N 1 1 322.373 -1.828 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001027029350 662568802 /nfs/dbraw/zinc/56/88/02/662568802.db2.gz ALPZBGTWGSKING-RKDXNWHRSA-N 1 1 308.346 -2.170 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC001027004833 662568902 /nfs/dbraw/zinc/56/89/02/662568902.db2.gz FRWLEXXCOURVCF-MNOVXSKESA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001027015838 662569057 /nfs/dbraw/zinc/56/90/57/662569057.db2.gz MMHWSQGYTZTIHP-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899970 662569071 /nfs/dbraw/zinc/56/90/71/662569071.db2.gz GXVWRHGFRMCDQG-VHSXEESVSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899970 662569072 /nfs/dbraw/zinc/56/90/72/662569072.db2.gz GXVWRHGFRMCDQG-VHSXEESVSA-N 1 1 311.386 -1.417 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)n1 ZINC001027044547 662569621 /nfs/dbraw/zinc/56/96/21/662569621.db2.gz YQRKSGVTUXAGFE-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974911232 662569657 /nfs/dbraw/zinc/56/96/57/662569657.db2.gz IPQZIVSRRXSZCY-LBPRGKRZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC000974924641 662569724 /nfs/dbraw/zinc/56/97/24/662569724.db2.gz QDKPEIFLMIYMDK-SNVBAGLBSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974917614 662570066 /nfs/dbraw/zinc/57/00/66/662570066.db2.gz CCJVLXARCIMPKR-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)CC2(C)C)n1 ZINC000974942552 662570457 /nfs/dbraw/zinc/57/04/57/662570457.db2.gz CXFVBHMTRUFDFR-SNVBAGLBSA-N 1 1 319.373 -1.058 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948729 662570563 /nfs/dbraw/zinc/57/05/63/662570563.db2.gz OKJYROLKXNOEKD-NXEZZACHSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948729 662570569 /nfs/dbraw/zinc/57/05/69/662570569.db2.gz OKJYROLKXNOEKD-NXEZZACHSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948731 662570847 /nfs/dbraw/zinc/57/08/47/662570847.db2.gz OKJYROLKXNOEKD-UWVGGRQHSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948731 662570851 /nfs/dbraw/zinc/57/08/51/662570851.db2.gz OKJYROLKXNOEKD-UWVGGRQHSA-N 1 1 321.385 -1.119 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952508 662571413 /nfs/dbraw/zinc/57/14/13/662571413.db2.gz WUAVXRHGGLLPGX-RKDXNWHRSA-N 1 1 309.374 -1.086 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952508 662571416 /nfs/dbraw/zinc/57/14/16/662571416.db2.gz WUAVXRHGGLLPGX-RKDXNWHRSA-N 1 1 309.374 -1.086 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994397 662572190 /nfs/dbraw/zinc/57/21/90/662572190.db2.gz KEHGBZMSZVZALP-GHMZBOCLSA-N 1 1 323.397 -1.227 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974994397 662572191 /nfs/dbraw/zinc/57/21/91/662572191.db2.gz KEHGBZMSZVZALP-GHMZBOCLSA-N 1 1 323.397 -1.227 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 ZINC000974964171 662572374 /nfs/dbraw/zinc/57/23/74/662572374.db2.gz PQWUSQQFNLYXCV-JTQLQIEISA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 ZINC000974964171 662572377 /nfs/dbraw/zinc/57/23/77/662572377.db2.gz PQWUSQQFNLYXCV-JTQLQIEISA-N 1 1 307.354 -1.044 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001027067485 662572401 /nfs/dbraw/zinc/57/24/01/662572401.db2.gz TWCUDLDNHUGJPL-AEJSXWLSSA-N 1 1 307.358 -1.730 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000974964359 662572480 /nfs/dbraw/zinc/57/24/80/662572480.db2.gz LJZMZHMFPDWVKO-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038682153 662572777 /nfs/dbraw/zinc/57/27/77/662572777.db2.gz OANYCXNZDZFMAV-MRVPVSSYSA-N 1 1 317.371 -1.492 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038682153 662572782 /nfs/dbraw/zinc/57/27/82/662572782.db2.gz OANYCXNZDZFMAV-MRVPVSSYSA-N 1 1 317.371 -1.492 20 0 DAADMO Cn1nnc(CNC[C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)n1 ZINC001027073977 662573058 /nfs/dbraw/zinc/57/30/58/662573058.db2.gz OXHOXBWVZOFYAT-SNVBAGLBSA-N 1 1 319.373 -1.101 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991302 662573254 /nfs/dbraw/zinc/57/32/54/662573254.db2.gz CZTSVSXEYVDJAO-NXEZZACHSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991302 662573256 /nfs/dbraw/zinc/57/32/56/662573256.db2.gz CZTSVSXEYVDJAO-NXEZZACHSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683454 662573319 /nfs/dbraw/zinc/57/33/19/662573319.db2.gz WCSIRTLUKSSPQH-SFYZADRCSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683454 662573321 /nfs/dbraw/zinc/57/33/21/662573321.db2.gz WCSIRTLUKSSPQH-SFYZADRCSA-N 1 1 317.371 -1.758 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173551 662573476 /nfs/dbraw/zinc/57/34/76/662573476.db2.gz DGFQZKHAUJYUQO-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173551 662573479 /nfs/dbraw/zinc/57/34/79/662573479.db2.gz DGFQZKHAUJYUQO-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001027138366 662573978 /nfs/dbraw/zinc/57/39/78/662573978.db2.gz LTRLSNUUMIKXLJ-SNVBAGLBSA-N 1 1 320.361 -1.775 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001008928749 662574520 /nfs/dbraw/zinc/57/45/20/662574520.db2.gz OVUGTFGSXKEYLI-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001008928749 662574523 /nfs/dbraw/zinc/57/45/23/662574523.db2.gz OVUGTFGSXKEYLI-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975632434 662576035 /nfs/dbraw/zinc/57/60/35/662576035.db2.gz FMQUTJXKWSRDDI-SRVKXCTJSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975632434 662576036 /nfs/dbraw/zinc/57/60/36/662576036.db2.gz FMQUTJXKWSRDDI-SRVKXCTJSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975718923 662576386 /nfs/dbraw/zinc/57/63/86/662576386.db2.gz PGJSQMDYURFTLI-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001006686293 662576635 /nfs/dbraw/zinc/57/66/35/662576635.db2.gz SRCUGFOWRUAPFD-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290722 662577385 /nfs/dbraw/zinc/57/73/85/662577385.db2.gz BZMJUVUJQYJHAQ-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290792 662577407 /nfs/dbraw/zinc/57/74/07/662577407.db2.gz DSXAOUACUPRAJN-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290828 662577427 /nfs/dbraw/zinc/57/74/27/662577427.db2.gz FMVQBLQTCUSQCY-NSHDSACASA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290828 662577429 /nfs/dbraw/zinc/57/74/29/662577429.db2.gz FMVQBLQTCUSQCY-NSHDSACASA-N 1 1 319.373 -1.075 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290791 662577518 /nfs/dbraw/zinc/57/75/18/662577518.db2.gz DSXAOUACUPRAJN-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001009382401 662579152 /nfs/dbraw/zinc/57/91/52/662579152.db2.gz KQUSWCZZPJHFCZ-ZYHUDNBSSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384124 662579373 /nfs/dbraw/zinc/57/93/73/662579373.db2.gz ULVXUDMOSJTYGA-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384124 662579376 /nfs/dbraw/zinc/57/93/76/662579376.db2.gz ULVXUDMOSJTYGA-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCO2)C1 ZINC000976204461 662580198 /nfs/dbraw/zinc/58/01/98/662580198.db2.gz IGYGAJGYOVXQBT-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 ZINC000976278562 662581919 /nfs/dbraw/zinc/58/19/19/662581919.db2.gz FCZNERMBMOBTAI-XARVFOJUSA-N 1 1 320.393 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 ZINC000976278550 662581940 /nfs/dbraw/zinc/58/19/40/662581940.db2.gz DYIKANDWQIURCN-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 ZINC000976269652 662582328 /nfs/dbraw/zinc/58/23/28/662582328.db2.gz PDLOFARXABBVCQ-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027341292 662582674 /nfs/dbraw/zinc/58/26/74/662582674.db2.gz LHRXIKFIVOBWLT-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006704640 662582744 /nfs/dbraw/zinc/58/27/44/662582744.db2.gz QGRPFQGKDFXRRA-CABZTGNLSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006704640 662582748 /nfs/dbraw/zinc/58/27/48/662582748.db2.gz QGRPFQGKDFXRRA-CABZTGNLSA-N 1 1 323.353 -1.023 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976310506 662582923 /nfs/dbraw/zinc/58/29/23/662582923.db2.gz LUUDXTSCRVOXMH-BSJXLVFVSA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976310506 662582925 /nfs/dbraw/zinc/58/29/25/662582925.db2.gz LUUDXTSCRVOXMH-BSJXLVFVSA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]21 ZINC000976289469 662582929 /nfs/dbraw/zinc/58/29/29/662582929.db2.gz YOZXEGHQAKIPKI-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976304348 662582939 /nfs/dbraw/zinc/58/29/39/662582939.db2.gz HHTORIQTEMYSSS-KIJLLGNVSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976304348 662582942 /nfs/dbraw/zinc/58/29/42/662582942.db2.gz HHTORIQTEMYSSS-KIJLLGNVSA-N 1 1 311.382 -1.075 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000976430508 662583632 /nfs/dbraw/zinc/58/36/32/662583632.db2.gz GLCRIYARDHIUTN-ROHXPCBUSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027375117 662585857 /nfs/dbraw/zinc/58/58/57/662585857.db2.gz SQNLOXDLUPUUEA-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]32)C1 ZINC000976535891 662586064 /nfs/dbraw/zinc/58/60/64/662586064.db2.gz HMBBRRAXZLDQGJ-DCQANWLSSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]32)C1 ZINC000976537518 662586214 /nfs/dbraw/zinc/58/62/14/662586214.db2.gz USMLKQOWMHSWLD-HHHUOAJASA-N 1 1 322.365 -1.381 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976535420 662586230 /nfs/dbraw/zinc/58/62/30/662586230.db2.gz KPFISYGGXIMMHM-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4COCCO4)C[C@H]32)C1 ZINC000976534932 662586267 /nfs/dbraw/zinc/58/62/67/662586267.db2.gz HVYOPDWNYHUAQE-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]32)C1 ZINC000976533941 662586279 /nfs/dbraw/zinc/58/62/79/662586279.db2.gz VQGDERPLAGJSRK-JZRPKSSGSA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4nccn4)C[C@H]32)C1 ZINC000976539924 662586284 /nfs/dbraw/zinc/58/62/84/662586284.db2.gz LMDRMNXXUPXMRV-CIQGVGRVSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]32)C1 ZINC000976542989 662586502 /nfs/dbraw/zinc/58/65/02/662586502.db2.gz ZMJZTUUXNVOWON-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]32)C1 ZINC000976542989 662586504 /nfs/dbraw/zinc/58/65/04/662586504.db2.gz ZMJZTUUXNVOWON-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]32)C1 ZINC000976542989 662586505 /nfs/dbraw/zinc/58/65/05/662586505.db2.gz ZMJZTUUXNVOWON-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000976543930 662586577 /nfs/dbraw/zinc/58/65/77/662586577.db2.gz BOWYXOWEGWPPMB-MSRIBSCDSA-N 1 1 305.338 -1.360 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000976536816 662586712 /nfs/dbraw/zinc/58/67/12/662586712.db2.gz OZWUVOPKEICDHO-WYUUTHIRSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976540846 662586976 /nfs/dbraw/zinc/58/69/76/662586976.db2.gz OKEZQPDEDCWPRQ-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000976605880 662587794 /nfs/dbraw/zinc/58/77/94/662587794.db2.gz OASWORSZFGSDBU-ZRUFSTJUSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000976605880 662587795 /nfs/dbraw/zinc/58/77/95/662587795.db2.gz OASWORSZFGSDBU-ZRUFSTJUSA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000976647373 662587953 /nfs/dbraw/zinc/58/79/53/662587953.db2.gz OOYBFZGUXPAZLB-HHHUOAJASA-N 1 1 322.365 -2.092 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976658592 662588082 /nfs/dbraw/zinc/58/80/82/662588082.db2.gz JMHHHLBXJWGONY-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000976647371 662588147 /nfs/dbraw/zinc/58/81/47/662588147.db2.gz OOYBFZGUXPAZLB-GCHJQGSQSA-N 1 1 322.365 -2.092 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411381 662588283 /nfs/dbraw/zinc/58/82/83/662588283.db2.gz DFCDTEOJYOCREG-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976668276 662588519 /nfs/dbraw/zinc/58/85/19/662588519.db2.gz VHQZCVMIWYVDKW-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC001027411228 662588554 /nfs/dbraw/zinc/58/85/54/662588554.db2.gz BRYIXFKXCNIEBU-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418439 662589079 /nfs/dbraw/zinc/58/90/79/662589079.db2.gz CUSGLTWCNKVSBO-VIFPVBQESA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418439 662589081 /nfs/dbraw/zinc/58/90/81/662589081.db2.gz CUSGLTWCNKVSBO-VIFPVBQESA-N 1 1 323.357 -2.215 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)nn1 ZINC001009631421 662590040 /nfs/dbraw/zinc/59/00/40/662590040.db2.gz CDODHNUVGGTRPZ-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646707 662591619 /nfs/dbraw/zinc/59/16/19/662591619.db2.gz FHASCSFINHZCDW-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646707 662591622 /nfs/dbraw/zinc/59/16/22/662591622.db2.gz FHASCSFINHZCDW-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027443335 662592378 /nfs/dbraw/zinc/59/23/78/662592378.db2.gz IOPWHLCTKLZGEO-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027443335 662592379 /nfs/dbraw/zinc/59/23/79/662592379.db2.gz IOPWHLCTKLZGEO-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446657 662592646 /nfs/dbraw/zinc/59/26/46/662592646.db2.gz QKJKBEPDGGTPIM-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446657 662592648 /nfs/dbraw/zinc/59/26/48/662592648.db2.gz QKJKBEPDGGTPIM-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000976940752 662593080 /nfs/dbraw/zinc/59/30/80/662593080.db2.gz YDDJBQIDSHHCDD-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]32)n1 ZINC000976996886 662595656 /nfs/dbraw/zinc/59/56/56/662595656.db2.gz RKBYRIONDRGUBK-ZRUFSTJUSA-N 1 1 319.369 -1.509 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000977001784 662595916 /nfs/dbraw/zinc/59/59/16/662595916.db2.gz ZMGWOWDYJARAEP-UKKRHICBSA-N 1 1 319.369 -1.652 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000977076577 662597123 /nfs/dbraw/zinc/59/71/23/662597123.db2.gz SDKYRFDGQOWSCT-LVEVGFFFSA-N 1 1 321.381 -1.665 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977094216 662599123 /nfs/dbraw/zinc/59/91/23/662599123.db2.gz HDFMFFGTIZFDTH-ZRUFSTJUSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977094216 662599126 /nfs/dbraw/zinc/59/91/26/662599126.db2.gz HDFMFFGTIZFDTH-ZRUFSTJUSA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]21 ZINC000977095114 662599279 /nfs/dbraw/zinc/59/92/79/662599279.db2.gz NJSVIKRRXFSTMX-HHHUOAJASA-N 1 1 322.365 -2.092 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]21 ZINC000977095113 662599335 /nfs/dbraw/zinc/59/93/35/662599335.db2.gz NJSVIKRRXFSTMX-GCHJQGSQSA-N 1 1 322.365 -2.092 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]21 ZINC000977095115 662599494 /nfs/dbraw/zinc/59/94/94/662599494.db2.gz NJSVIKRRXFSTMX-PREPNJAASA-N 1 1 322.365 -2.092 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]21 ZINC000977080817 662599897 /nfs/dbraw/zinc/59/98/97/662599897.db2.gz ACYQBWRHZJIDQD-JZRPKSSGSA-N 1 1 320.393 -1.081 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027471269 662600332 /nfs/dbraw/zinc/60/03/32/662600332.db2.gz YSLWMVAASMRPFM-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001027482891 662600503 /nfs/dbraw/zinc/60/05/03/662600503.db2.gz JIMWBNXMLXCOBD-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001027482891 662600505 /nfs/dbraw/zinc/60/05/05/662600505.db2.gz JIMWBNXMLXCOBD-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000977207706 662601059 /nfs/dbraw/zinc/60/10/59/662601059.db2.gz CCCPTCTYMCJBJV-LIBFEPKXSA-N 1 1 320.393 -1.368 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000977315819 662602482 /nfs/dbraw/zinc/60/24/82/662602482.db2.gz KRBVUEMRNJJAQD-VOZQYIJBSA-N 1 1 324.381 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324972 662602502 /nfs/dbraw/zinc/60/25/02/662602502.db2.gz DSFSQADDSMWWKH-SCZZXKLOSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324972 662602503 /nfs/dbraw/zinc/60/25/03/662602503.db2.gz DSFSQADDSMWWKH-SCZZXKLOSA-N 1 1 324.381 -1.260 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977329846 662602506 /nfs/dbraw/zinc/60/25/06/662602506.db2.gz SGQYEPWZIBOBNB-JTQLQIEISA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977329846 662602507 /nfs/dbraw/zinc/60/25/07/662602507.db2.gz SGQYEPWZIBOBNB-JTQLQIEISA-N 1 1 324.381 -1.388 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000977364756 662602682 /nfs/dbraw/zinc/60/26/82/662602682.db2.gz QIEGGOSPILPWTA-JTQLQIEISA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977362924 662602720 /nfs/dbraw/zinc/60/27/20/662602720.db2.gz MDWAYRLQEQURKG-ZJUUUORDSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977362919 662602788 /nfs/dbraw/zinc/60/27/88/662602788.db2.gz MDWAYRLQEQURKG-VHSXEESVSA-N 1 1 312.370 -1.254 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977463894 662603082 /nfs/dbraw/zinc/60/30/82/662603082.db2.gz CQXUVDBMNUPSBR-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977498692 662603370 /nfs/dbraw/zinc/60/33/70/662603370.db2.gz WHZLRSPZKUOZGB-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977498691 662603449 /nfs/dbraw/zinc/60/34/49/662603449.db2.gz WHZLRSPZKUOZGB-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001027531489 662603455 /nfs/dbraw/zinc/60/34/55/662603455.db2.gz MTDBMKXVOKMOEX-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001027531486 662603511 /nfs/dbraw/zinc/60/35/11/662603511.db2.gz MTDBMKXVOKMOEX-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001027532970 662603709 /nfs/dbraw/zinc/60/37/09/662603709.db2.gz FZBNRHPIYQPBIF-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c(=O)n1C ZINC000977538665 662603752 /nfs/dbraw/zinc/60/37/52/662603752.db2.gz JPWBVKBZTXYTCW-NSHDSACASA-N 1 1 311.386 -1.291 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977527204 662603842 /nfs/dbraw/zinc/60/38/42/662603842.db2.gz SDIPUGPVRNHCOU-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977527204 662603844 /nfs/dbraw/zinc/60/38/44/662603844.db2.gz SDIPUGPVRNHCOU-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977512088 662603883 /nfs/dbraw/zinc/60/38/83/662603883.db2.gz NZTKUCFVPLJJMH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977512088 662603884 /nfs/dbraw/zinc/60/38/84/662603884.db2.gz NZTKUCFVPLJJMH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c(=O)[nH]c1=O ZINC000977592248 662604113 /nfs/dbraw/zinc/60/41/13/662604113.db2.gz UCAJWCLBFHCRFD-JTQLQIEISA-N 1 1 310.354 -1.082 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1=O ZINC000977564604 662604227 /nfs/dbraw/zinc/60/42/27/662604227.db2.gz HCERCWHUUTWCQR-SNVBAGLBSA-N 1 1 312.370 -1.301 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000977622701 662604570 /nfs/dbraw/zinc/60/45/70/662604570.db2.gz RNRFOYOLSMZYNR-LLVKDONJSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622797 662604672 /nfs/dbraw/zinc/60/46/72/662604672.db2.gz SNUFRXJSCKLNSV-KOLCDFICSA-N 1 1 324.385 -1.416 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551105 662605277 /nfs/dbraw/zinc/60/52/77/662605277.db2.gz ISEWGTZPBXWABZ-NWDGAFQWSA-N 1 1 321.385 -1.118 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663296 662605432 /nfs/dbraw/zinc/60/54/32/662605432.db2.gz VIQIAONPNPLXOK-ZJUUUORDSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663296 662605433 /nfs/dbraw/zinc/60/54/33/662605433.db2.gz VIQIAONPNPLXOK-ZJUUUORDSA-N 1 1 324.381 -1.388 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977732875 662605626 /nfs/dbraw/zinc/60/56/26/662605626.db2.gz PDKPUWFVDUFNIK-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553356 662605797 /nfs/dbraw/zinc/60/57/97/662605797.db2.gz VZLPDOLZHQBJAU-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553356 662605798 /nfs/dbraw/zinc/60/57/98/662605798.db2.gz VZLPDOLZHQBJAU-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553355 662605837 /nfs/dbraw/zinc/60/58/37/662605837.db2.gz VZLPDOLZHQBJAU-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553355 662605838 /nfs/dbraw/zinc/60/58/38/662605838.db2.gz VZLPDOLZHQBJAU-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936546862 662605986 /nfs/dbraw/zinc/60/59/86/662605986.db2.gz JGRAPGUXMRGUHU-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977742146 662606063 /nfs/dbraw/zinc/60/60/63/662606063.db2.gz JJOMHVUSMDCGRJ-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936546859 662606089 /nfs/dbraw/zinc/60/60/89/662606089.db2.gz JGRAPGUXMRGUHU-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936546861 662606102 /nfs/dbraw/zinc/60/61/02/662606102.db2.gz JGRAPGUXMRGUHU-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811202 662606423 /nfs/dbraw/zinc/60/64/23/662606423.db2.gz UVQWURXDIDEYAH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811202 662606425 /nfs/dbraw/zinc/60/64/25/662606425.db2.gz UVQWURXDIDEYAH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977775066 662606541 /nfs/dbraw/zinc/60/65/41/662606541.db2.gz QLXQUQXHLYEJPD-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC000977943334 662607021 /nfs/dbraw/zinc/60/70/21/662607021.db2.gz HWNGJWUTTXEHNH-VIFPVBQESA-N 1 1 323.353 -1.106 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nnn1C ZINC000977940381 662607037 /nfs/dbraw/zinc/60/70/37/662607037.db2.gz CFWCWXRKGDLZOX-DBIOUOCHSA-N 1 1 306.370 -1.095 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)nnn1C ZINC000977959014 662607532 /nfs/dbraw/zinc/60/75/32/662607532.db2.gz YJRKKSRAXFYNNW-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969071 662607890 /nfs/dbraw/zinc/60/78/90/662607890.db2.gz JEOQPCJEIMSFCT-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969071 662607891 /nfs/dbraw/zinc/60/78/91/662607891.db2.gz JEOQPCJEIMSFCT-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978083813 662608398 /nfs/dbraw/zinc/60/83/98/662608398.db2.gz QMRSMQLHKKDHGD-RTCCRHLQSA-N 1 1 306.370 -1.189 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnnn4C)[C@@H]3C2)C1=O ZINC000978084471 662608811 /nfs/dbraw/zinc/60/88/11/662608811.db2.gz RHDGZHSSYLGAHF-WISYIIOYSA-N 1 1 318.381 -1.047 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC000978078260 662608857 /nfs/dbraw/zinc/60/88/57/662608857.db2.gz QHWFICLWCBBITQ-NZPIUUIZSA-N 1 1 322.409 -1.107 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000978081767 662608877 /nfs/dbraw/zinc/60/88/77/662608877.db2.gz MJVMAWWDKRPIFG-CHWFTXMASA-N 1 1 304.354 -1.389 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC000978080684 662608891 /nfs/dbraw/zinc/60/88/91/662608891.db2.gz VYYWYYWEGXPRAW-YIYPIFLZSA-N 1 1 320.393 -1.353 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)c1N ZINC000978070460 662608913 /nfs/dbraw/zinc/60/89/13/662608913.db2.gz RSWVMFJLBKTZOD-IXLVHKGHSA-N 1 1 318.381 -1.202 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114889 662609235 /nfs/dbraw/zinc/60/92/35/662609235.db2.gz RKOYQQQSVOBPIN-CHWFTXMASA-N 1 1 310.354 -1.523 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978090473 662609267 /nfs/dbraw/zinc/60/92/67/662609267.db2.gz BOAQTSLHQCFZKH-MMWGEVLESA-N 1 1 306.370 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC000978108002 662609452 /nfs/dbraw/zinc/60/94/52/662609452.db2.gz LQMZMWDMMZHFGZ-RTCCRHLQSA-N 1 1 322.365 -1.026 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000978105482 662609564 /nfs/dbraw/zinc/60/95/64/662609564.db2.gz FGHATHITRWTATN-YFKTTZPYSA-N 1 1 322.365 -1.333 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000978180081 662610367 /nfs/dbraw/zinc/61/03/67/662610367.db2.gz NUSAVWJNHLRXJH-PZWNZHSQSA-N 1 1 308.382 -1.320 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000978231771 662611413 /nfs/dbraw/zinc/61/14/13/662611413.db2.gz MHLCPQFPMGYPDC-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC000978305365 662612046 /nfs/dbraw/zinc/61/20/46/662612046.db2.gz DBXZVUVPZJCEMJ-OYBPUVFXSA-N 1 1 305.338 -1.036 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)O1 ZINC000978355496 662612712 /nfs/dbraw/zinc/61/27/12/662612712.db2.gz ODSDKXYAYYNHTM-NJMOYASZSA-N 1 1 310.398 -1.515 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC001027613482 662612733 /nfs/dbraw/zinc/61/27/33/662612733.db2.gz YGEVEAUUUXKLBY-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC000978323302 662612801 /nfs/dbraw/zinc/61/28/01/662612801.db2.gz OPBQMRUQNJINAR-KKOKHZNYSA-N 1 1 308.382 -1.447 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC000978319275 662612809 /nfs/dbraw/zinc/61/28/09/662612809.db2.gz IGAAWCJDTQVHHM-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cn[nH]n1 ZINC000978391126 662613095 /nfs/dbraw/zinc/61/30/95/662613095.db2.gz MEMPBCRTWBJGCW-MWGHHZFTSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978391126 662613097 /nfs/dbraw/zinc/61/30/97/662613097.db2.gz MEMPBCRTWBJGCW-MWGHHZFTSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978391126 662613099 /nfs/dbraw/zinc/61/30/99/662613099.db2.gz MEMPBCRTWBJGCW-MWGHHZFTSA-N 1 1 304.354 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617405 662613339 /nfs/dbraw/zinc/61/33/39/662613339.db2.gz PTJULRJEZBYXOK-KOLCDFICSA-N 1 1 324.381 -1.164 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1)NC1CC1 ZINC000978401607 662613611 /nfs/dbraw/zinc/61/36/11/662613611.db2.gz ZIKPJXRABUROFX-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1)NC1CC1 ZINC000978401607 662613612 /nfs/dbraw/zinc/61/36/12/662613612.db2.gz ZIKPJXRABUROFX-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1)NC1CC1 ZINC000978401607 662613614 /nfs/dbraw/zinc/61/36/14/662613614.db2.gz ZIKPJXRABUROFX-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000978429381 662613622 /nfs/dbraw/zinc/61/36/22/662613622.db2.gz YRVCURQDQQWBCO-KKOKHZNYSA-N 1 1 302.396 -1.293 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccnc4n[nH]nc43)[C@@H]2C1 ZINC000978460580 662614006 /nfs/dbraw/zinc/61/40/06/662614006.db2.gz XBKNRHRZWLGGEQ-OWUUHHOZSA-N 1 1 315.337 -1.254 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628769 662614049 /nfs/dbraw/zinc/61/40/49/662614049.db2.gz KGBRBLMYAKVCTE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nc1 ZINC000978450067 662614061 /nfs/dbraw/zinc/61/40/61/662614061.db2.gz CFXLULPYEFODHF-RTCCRHLQSA-N 1 1 305.338 -1.122 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC000978529807 662614148 /nfs/dbraw/zinc/61/41/48/662614148.db2.gz FCFJWPRMWJXXCZ-XWLWVQCSSA-N 1 1 319.365 -1.438 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978583031 662614211 /nfs/dbraw/zinc/61/42/11/662614211.db2.gz LOCISFLSVAMQRA-MMWGEVLESA-N 1 1 309.370 -1.950 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1 ZINC000978530102 662614230 /nfs/dbraw/zinc/61/42/30/662614230.db2.gz OSZGUIYGKSNHIQ-JVFXBBKESA-N 1 1 323.393 -1.183 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978546374 662614341 /nfs/dbraw/zinc/61/43/41/662614341.db2.gz HSYJIFBLJIUXFX-FIQHERPVSA-N 1 1 308.382 -1.318 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC000978598849 662614558 /nfs/dbraw/zinc/61/45/58/662614558.db2.gz FWLQNGMNSZUEBC-LPWJVIDDSA-N 1 1 318.381 -1.255 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC000978598849 662614559 /nfs/dbraw/zinc/61/45/59/662614559.db2.gz FWLQNGMNSZUEBC-LPWJVIDDSA-N 1 1 318.381 -1.255 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4nnnc4c3)[C@@H]2C1 ZINC000978589684 662614586 /nfs/dbraw/zinc/61/45/86/662614586.db2.gz ZZKIJLYNZKRUBB-RTCCRHLQSA-N 1 1 315.337 -1.483 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978587104 662614591 /nfs/dbraw/zinc/61/45/91/662614591.db2.gz UXIJBKGZNCIJDP-YFKTTZPYSA-N 1 1 323.397 -1.608 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC000978598856 662614634 /nfs/dbraw/zinc/61/46/34/662614634.db2.gz FWLQNGMNSZUEBC-ZDEQEGDKSA-N 1 1 318.381 -1.255 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC000978598856 662614635 /nfs/dbraw/zinc/61/46/35/662614635.db2.gz FWLQNGMNSZUEBC-ZDEQEGDKSA-N 1 1 318.381 -1.255 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCNC1=O ZINC000978605269 662614903 /nfs/dbraw/zinc/61/49/03/662614903.db2.gz OAJXXXVBOBECPK-LPWJVIDDSA-N 1 1 318.381 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978612735 662614927 /nfs/dbraw/zinc/61/49/27/662614927.db2.gz KIOQHFHQPHLKIV-AATLWQCWSA-N 1 1 307.358 -1.748 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000978629720 662615136 /nfs/dbraw/zinc/61/51/36/662615136.db2.gz HNKLOLXCEKURIV-RTCCRHLQSA-N 1 1 317.357 -1.554 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000978629720 662615137 /nfs/dbraw/zinc/61/51/37/662615137.db2.gz HNKLOLXCEKURIV-RTCCRHLQSA-N 1 1 317.357 -1.554 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978651661 662615359 /nfs/dbraw/zinc/61/53/59/662615359.db2.gz HLYNCGSLCSQBEY-GUDRVLHUSA-N 1 1 319.365 -1.059 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000978636132 662615372 /nfs/dbraw/zinc/61/53/72/662615372.db2.gz ABMNZZRWYWQQFY-MWGHHZFTSA-N 1 1 317.349 -1.434 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000978672280 662615691 /nfs/dbraw/zinc/61/56/91/662615691.db2.gz JTPTYGOIZNMAQB-RVMXOQNASA-N 1 1 318.381 -1.142 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000978672277 662615707 /nfs/dbraw/zinc/61/57/07/662615707.db2.gz JTPTYGOIZNMAQB-FVCCEPFGSA-N 1 1 318.381 -1.142 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000978673747 662615820 /nfs/dbraw/zinc/61/58/20/662615820.db2.gz NRMKGYUIQALEDM-YFKTTZPYSA-N 1 1 321.381 -1.806 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978676598 662615940 /nfs/dbraw/zinc/61/59/40/662615940.db2.gz TWXANQRYSWTTSO-CHWFTXMASA-N 1 1 320.353 -1.147 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978676598 662615941 /nfs/dbraw/zinc/61/59/41/662615941.db2.gz TWXANQRYSWTTSO-CHWFTXMASA-N 1 1 320.353 -1.147 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000978669826 662615957 /nfs/dbraw/zinc/61/59/57/662615957.db2.gz VCBNWOFJUSRECH-KXNHARMFSA-N 1 1 323.397 -1.227 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)o1 ZINC000978679846 662615987 /nfs/dbraw/zinc/61/59/87/662615987.db2.gz ZYIKUZAFLRUGGM-CHWFTXMASA-N 1 1 320.353 -1.147 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)o1 ZINC000978679846 662615988 /nfs/dbraw/zinc/61/59/88/662615988.db2.gz ZYIKUZAFLRUGGM-CHWFTXMASA-N 1 1 320.353 -1.147 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673546 662616015 /nfs/dbraw/zinc/61/60/15/662616015.db2.gz NJWCMEMNPPSNEL-WISYIIOYSA-N 1 1 319.369 -1.710 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978673546 662616017 /nfs/dbraw/zinc/61/60/17/662616017.db2.gz NJWCMEMNPPSNEL-WISYIIOYSA-N 1 1 319.369 -1.710 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3S(N)(=O)=O)[C@@H]2C1 ZINC000978697551 662616022 /nfs/dbraw/zinc/61/60/22/662616022.db2.gz IXJKVLURPKXOAT-SLGCYQGISA-N 1 1 313.383 -1.015 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000978669831 662616087 /nfs/dbraw/zinc/61/60/87/662616087.db2.gz VCBNWOFJUSRECH-WHOHXGKFSA-N 1 1 323.397 -1.227 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000978669749 662616095 /nfs/dbraw/zinc/61/60/95/662616095.db2.gz FPUZMDRQDSEAMX-WISYIIOYSA-N 1 1 321.381 -1.760 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCC(=O)N3)[C@@H]2C1 ZINC000978755327 662616310 /nfs/dbraw/zinc/61/63/10/662616310.db2.gz QHVBWIYKIVRMDK-WISYIIOYSA-N 1 1 308.382 -1.176 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)n1 ZINC001027659862 662616317 /nfs/dbraw/zinc/61/63/17/662616317.db2.gz YJXQLGGYXAFFDC-LBPRGKRZSA-N 1 1 321.381 -1.040 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)n1 ZINC001027659862 662616319 /nfs/dbraw/zinc/61/63/19/662616319.db2.gz YJXQLGGYXAFFDC-LBPRGKRZSA-N 1 1 321.381 -1.040 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cccc1=O ZINC000978704807 662616346 /nfs/dbraw/zinc/61/63/46/662616346.db2.gz YVNKOXXCNOPJRQ-RTCCRHLQSA-N 1 1 304.350 -1.222 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038767851 662616366 /nfs/dbraw/zinc/61/63/66/662616366.db2.gz LTLGTHWACGUFNZ-GHMZBOCLSA-N 1 1 324.381 -1.077 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000978735255 662616491 /nfs/dbraw/zinc/61/64/91/662616491.db2.gz VDGRFGQCZLPYIQ-MLGHIDQZSA-N 1 1 318.381 -1.307 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCc2nnnn2CC1 ZINC000978743163 662616661 /nfs/dbraw/zinc/61/66/61/662616661.db2.gz QCWJXXNEBNQWEH-LPWJVIDDSA-N 1 1 320.397 -1.088 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCc2nnnn2CC1 ZINC000978743175 662616727 /nfs/dbraw/zinc/61/67/27/662616727.db2.gz QCWJXXNEBNQWEH-ZDEQEGDKSA-N 1 1 320.397 -1.088 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)nn1 ZINC000978744081 662616758 /nfs/dbraw/zinc/61/67/58/662616758.db2.gz MYHBXIHOYKTBEE-MLGHIDQZSA-N 1 1 318.381 -1.270 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)nn1 ZINC000978744081 662616761 /nfs/dbraw/zinc/61/67/61/662616761.db2.gz MYHBXIHOYKTBEE-MLGHIDQZSA-N 1 1 318.381 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978840723 662617315 /nfs/dbraw/zinc/61/73/15/662617315.db2.gz NOYVMFARGPHSOO-WKJUBOCMSA-N 1 1 322.365 -1.793 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673503 662617370 /nfs/dbraw/zinc/61/73/70/662617370.db2.gz JKJAMTADOMGWRH-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978843815 662617472 /nfs/dbraw/zinc/61/74/72/662617472.db2.gz UMXBRAPCRPGVPP-CNDDSTCGSA-N 1 1 309.366 -1.020 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000978840473 662617506 /nfs/dbraw/zinc/61/75/06/662617506.db2.gz IDNIMIBFKSCZLO-GARJFASQSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978840721 662617539 /nfs/dbraw/zinc/61/75/39/662617539.db2.gz NOYVMFARGPHSOO-DMLMCSCLSA-N 1 1 322.365 -1.793 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684825 662617985 /nfs/dbraw/zinc/61/79/85/662617985.db2.gz GHGIDWVZQIOXQM-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684825 662617987 /nfs/dbraw/zinc/61/79/87/662617987.db2.gz GHGIDWVZQIOXQM-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000978893846 662618032 /nfs/dbraw/zinc/61/80/32/662618032.db2.gz BJABMEZCUUUBBC-KXNHARMFSA-N 1 1 324.381 -1.654 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nnc[nH]1 ZINC000978878812 662618091 /nfs/dbraw/zinc/61/80/91/662618091.db2.gz MSQNFTFKCWHBSW-QEYWKRMJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978878812 662618093 /nfs/dbraw/zinc/61/80/93/662618093.db2.gz MSQNFTFKCWHBSW-QEYWKRMJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978878812 662618095 /nfs/dbraw/zinc/61/80/95/662618095.db2.gz MSQNFTFKCWHBSW-QEYWKRMJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978878812 662618097 /nfs/dbraw/zinc/61/80/97/662618097.db2.gz MSQNFTFKCWHBSW-QEYWKRMJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978878812 662618099 /nfs/dbraw/zinc/61/80/99/662618099.db2.gz MSQNFTFKCWHBSW-QEYWKRMJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nnc[nH]1 ZINC000978878808 662618217 /nfs/dbraw/zinc/61/82/17/662618217.db2.gz MSQNFTFKCWHBSW-DOLQZWNJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978878808 662618220 /nfs/dbraw/zinc/61/82/20/662618220.db2.gz MSQNFTFKCWHBSW-DOLQZWNJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978878808 662618222 /nfs/dbraw/zinc/61/82/22/662618222.db2.gz MSQNFTFKCWHBSW-DOLQZWNJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978878808 662618224 /nfs/dbraw/zinc/61/82/24/662618224.db2.gz MSQNFTFKCWHBSW-DOLQZWNJSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978878808 662618226 /nfs/dbraw/zinc/61/82/26/662618226.db2.gz MSQNFTFKCWHBSW-DOLQZWNJSA-N 1 1 318.337 -1.483 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978875714 662618311 /nfs/dbraw/zinc/61/83/11/662618311.db2.gz IKKMQRSRRZCAJW-KQXIARHKSA-N 1 1 318.381 -1.047 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001027696707 662618315 /nfs/dbraw/zinc/61/83/15/662618315.db2.gz MXDKHGAQWBMCQI-JTQLQIEISA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001027696707 662618316 /nfs/dbraw/zinc/61/83/16/662618316.db2.gz MXDKHGAQWBMCQI-JTQLQIEISA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC000978980718 662618527 /nfs/dbraw/zinc/61/85/27/662618527.db2.gz BWDCBHVAAKUSNX-CNDDSTCGSA-N 1 1 304.350 -1.222 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)nn1 ZINC000978980434 662618539 /nfs/dbraw/zinc/61/85/39/662618539.db2.gz AFIZABCCVWAFHN-RVMXOQNASA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@@H]3C2)nn1 ZINC000978980434 662618540 /nfs/dbraw/zinc/61/85/40/662618540.db2.gz AFIZABCCVWAFHN-RVMXOQNASA-N 1 1 318.381 -1.112 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979013015 662618852 /nfs/dbraw/zinc/61/88/52/662618852.db2.gz IPKBLDOBPQFNCZ-YIYPIFLZSA-N 1 1 311.382 -1.480 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979013008 662618873 /nfs/dbraw/zinc/61/88/73/662618873.db2.gz IPKBLDOBPQFNCZ-FQUUOJAGSA-N 1 1 311.382 -1.480 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC000979017857 662619422 /nfs/dbraw/zinc/61/94/22/662619422.db2.gz MFBZIUHHWMINKE-RVMXOQNASA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC000979017857 662619424 /nfs/dbraw/zinc/61/94/24/662619424.db2.gz MFBZIUHHWMINKE-RVMXOQNASA-N 1 1 318.381 -1.112 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC000979019551 662619514 /nfs/dbraw/zinc/61/95/14/662619514.db2.gz PKRRGWUOJQTXMS-YFKTTZPYSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000979052368 662619701 /nfs/dbraw/zinc/61/97/01/662619701.db2.gz YTKMALYQJPXCIP-XDQVBPFNSA-N 1 1 322.409 -1.105 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC000979049451 662619770 /nfs/dbraw/zinc/61/97/70/662619770.db2.gz RCSNYBVSVBCQJL-CNDDSTCGSA-N 1 1 323.397 -1.444 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC000979078046 662619935 /nfs/dbraw/zinc/61/99/35/662619935.db2.gz QQZFXGLHZVNOQS-CHWFTXMASA-N 1 1 303.384 -2.036 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000979073902 662620182 /nfs/dbraw/zinc/62/01/82/662620182.db2.gz BWBJTSAMYMDRFD-PSVAKVPMSA-N 1 1 321.341 -2.844 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC000979087698 662620300 /nfs/dbraw/zinc/62/03/00/662620300.db2.gz QKBFIYHHFOEXEP-WKJUBOCMSA-N 1 1 319.365 -1.105 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000979144702 662621514 /nfs/dbraw/zinc/62/15/14/662621514.db2.gz DCNYUYNTNKZCEH-OUAUKWLOSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979235948 662622435 /nfs/dbraw/zinc/62/24/35/662622435.db2.gz KUBXAUNFGBWWOW-GXSJLCMTSA-N 1 1 310.358 -1.604 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979230188 662622483 /nfs/dbraw/zinc/62/24/83/662622483.db2.gz ASFQGHIXHXTSNS-GXSJLCMTSA-N 1 1 311.342 -1.041 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC000979294381 662622880 /nfs/dbraw/zinc/62/28/80/662622880.db2.gz JXMOBGFPDWHWJJ-KOLCDFICSA-N 1 1 322.329 -1.538 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979234129 662622938 /nfs/dbraw/zinc/62/29/38/662622938.db2.gz IVOCXMRNTZBIMA-ZJUUUORDSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979233985 662622953 /nfs/dbraw/zinc/62/29/53/662622953.db2.gz IENIBFADXUOLCR-UWVGGRQHSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979259187 662623019 /nfs/dbraw/zinc/62/30/19/662623019.db2.gz PIILQBBIAVESAX-IUCAKERBSA-N 1 1 311.346 -2.209 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979316696 662623390 /nfs/dbraw/zinc/62/33/90/662623390.db2.gz UGGVMOUNACDAGQ-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979362424 662623409 /nfs/dbraw/zinc/62/34/09/662623409.db2.gz SOZRUDGNPKEBFV-MNOVXSKESA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979316695 662623453 /nfs/dbraw/zinc/62/34/53/662623453.db2.gz UGGVMOUNACDAGQ-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979361279 662623616 /nfs/dbraw/zinc/62/36/16/662623616.db2.gz QJPRVDPGBJFALG-ZYHUDNBSSA-N 1 1 324.385 -1.203 20 0 DAADMO CCc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC000979363795 662623630 /nfs/dbraw/zinc/62/36/30/662623630.db2.gz WHWOMCWEVWTBLM-VHSXEESVSA-N 1 1 324.385 -1.432 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979361274 662623666 /nfs/dbraw/zinc/62/36/66/662623666.db2.gz QJPRVDPGBJFALG-CMPLNLGQSA-N 1 1 324.385 -1.203 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373766 662623671 /nfs/dbraw/zinc/62/36/71/662623671.db2.gz ISELTRXIXCZIOR-PSASIEDQSA-N 1 1 322.329 -1.388 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979361278 662623895 /nfs/dbraw/zinc/62/38/95/662623895.db2.gz QJPRVDPGBJFALG-PWSUYJOCSA-N 1 1 324.385 -1.203 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979349509 662623926 /nfs/dbraw/zinc/62/39/26/662623926.db2.gz UZBMZNDSJAYYIV-JOYOIKCWSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361268 662623938 /nfs/dbraw/zinc/62/39/38/662623938.db2.gz QIHFCZUMJIEXJY-ZJUUUORDSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979395325 662624170 /nfs/dbraw/zinc/62/41/70/662624170.db2.gz LWAHXIFETAJZKB-RKDXNWHRSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979395321 662624251 /nfs/dbraw/zinc/62/42/51/662624251.db2.gz LWAHXIFETAJZKB-DTWKUNHWSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979401089 662624431 /nfs/dbraw/zinc/62/44/31/662624431.db2.gz WBFCOPJKAPODCW-PSASIEDQSA-N 1 1 322.329 -1.388 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805372 662624771 /nfs/dbraw/zinc/62/47/71/662624771.db2.gz RSYUMYZLEQKBIK-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805372 662624772 /nfs/dbraw/zinc/62/47/72/662624772.db2.gz RSYUMYZLEQKBIK-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979520664 662625675 /nfs/dbraw/zinc/62/56/75/662625675.db2.gz RZZTXWDQUDSKAA-HBNTYKKESA-N 1 1 307.358 -1.625 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000979584755 662625994 /nfs/dbraw/zinc/62/59/94/662625994.db2.gz VCBNWOFJUSRECH-FIQHERPVSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000979582379 662626149 /nfs/dbraw/zinc/62/61/49/662626149.db2.gz QZLFGMNRIJXMFO-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000979584462 662626157 /nfs/dbraw/zinc/62/61/57/662626157.db2.gz UPTTULXICDQVBO-GMTAPVOTSA-N 1 1 321.385 -1.071 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979669291 662626520 /nfs/dbraw/zinc/62/65/20/662626520.db2.gz LJTXYCXBQLHEIY-AXFHLTTASA-N 1 1 322.369 -1.314 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000979776931 662627970 /nfs/dbraw/zinc/62/79/70/662627970.db2.gz UUKZKLNIHIETBA-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)C1 ZINC001027848478 662629103 /nfs/dbraw/zinc/62/91/03/662629103.db2.gz UMRXTXVWSUJVEX-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)C1 ZINC001027848478 662629104 /nfs/dbraw/zinc/62/91/04/662629104.db2.gz UMRXTXVWSUJVEX-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1COC(=O)N1 ZINC001027861469 662630990 /nfs/dbraw/zinc/63/09/90/662630990.db2.gz XWCPBCOAGYZEQW-MNOVXSKESA-N 1 1 308.342 -1.033 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)no1 ZINC000980005020 662631025 /nfs/dbraw/zinc/63/10/25/662631025.db2.gz LYUGTPOLODETBH-KYZUINATSA-N 1 1 323.353 -1.154 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001010083357 662632176 /nfs/dbraw/zinc/63/21/76/662632176.db2.gz XHHVVSJOIJSLGR-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001010083357 662632179 /nfs/dbraw/zinc/63/21/79/662632179.db2.gz XHHVVSJOIJSLGR-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)c1=O ZINC000980081463 662632348 /nfs/dbraw/zinc/63/23/48/662632348.db2.gz DIIZCBZPWPWOJP-JHJVBQTASA-N 1 1 323.397 -1.209 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@H]3C2)c1=O ZINC000980081466 662632449 /nfs/dbraw/zinc/63/24/49/662632449.db2.gz DIIZCBZPWPWOJP-YNEHKIRRSA-N 1 1 323.397 -1.209 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(N)=O)nn1 ZINC001027876967 662632703 /nfs/dbraw/zinc/63/27/03/662632703.db2.gz AMYIJRKKMIIRCW-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(N)=O)nn1 ZINC001027876967 662632704 /nfs/dbraw/zinc/63/27/04/662632704.db2.gz AMYIJRKKMIIRCW-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(N)=O)nn1 ZINC001027876968 662632762 /nfs/dbraw/zinc/63/27/62/662632762.db2.gz AMYIJRKKMIIRCW-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(N)=O)nn1 ZINC001027876968 662632763 /nfs/dbraw/zinc/63/27/63/662632763.db2.gz AMYIJRKKMIIRCW-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187211 662633332 /nfs/dbraw/zinc/63/33/32/662633332.db2.gz RETXQKUWKSNCEZ-GUBZILKMSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187211 662633334 /nfs/dbraw/zinc/63/33/34/662633334.db2.gz RETXQKUWKSNCEZ-GUBZILKMSA-N 1 1 307.358 -1.588 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000980183105 662633373 /nfs/dbraw/zinc/63/33/73/662633373.db2.gz DDXUBZLIBLHQEW-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980192711 662633776 /nfs/dbraw/zinc/63/37/76/662633776.db2.gz JTYXICKMHNQPBT-GRYCIOLGSA-N 1 1 324.381 -1.253 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000980198636 662634033 /nfs/dbraw/zinc/63/40/33/662634033.db2.gz DCNYUYNTNKZCEH-GMTAPVOTSA-N 1 1 321.385 -1.071 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cncn3)C[C@H]2C1 ZINC000980239206 662634499 /nfs/dbraw/zinc/63/44/99/662634499.db2.gz YKTFDIOKUFTYAZ-SRVKXCTJSA-N 1 1 306.370 -1.020 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980248267 662634763 /nfs/dbraw/zinc/63/47/63/662634763.db2.gz TVKZDPBVXJAFTG-IJLUTSLNSA-N 1 1 324.381 -1.253 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)n1C ZINC000980294859 662634929 /nfs/dbraw/zinc/63/49/29/662634929.db2.gz IGBMVURGSAIVSX-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC000980294859 662634932 /nfs/dbraw/zinc/63/49/32/662634932.db2.gz IGBMVURGSAIVSX-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)O)C2)c(=O)n1C ZINC000980296688 662635322 /nfs/dbraw/zinc/63/53/22/662635322.db2.gz SWXRJBJLANDDOV-CMPLNLGQSA-N 1 1 311.386 -1.196 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)O)C2)c(=O)n1C ZINC000980296691 662635352 /nfs/dbraw/zinc/63/53/52/662635352.db2.gz SWXRJBJLANDDOV-ZYHUDNBSSA-N 1 1 311.386 -1.196 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322030 662635397 /nfs/dbraw/zinc/63/53/97/662635397.db2.gz HXJKGSDKYITYGJ-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000980332713 662635403 /nfs/dbraw/zinc/63/54/03/662635403.db2.gz GXXYIYARKOEGSA-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980300142 662635414 /nfs/dbraw/zinc/63/54/14/662635414.db2.gz NPVFSEVJVKVUCL-VXGBXAGGSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980300142 662635416 /nfs/dbraw/zinc/63/54/16/662635416.db2.gz NPVFSEVJVKVUCL-VXGBXAGGSA-N 1 1 312.370 -1.748 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)O)C2)c(=O)n1C ZINC000980296690 662635575 /nfs/dbraw/zinc/63/55/75/662635575.db2.gz SWXRJBJLANDDOV-PWSUYJOCSA-N 1 1 311.386 -1.196 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)ccc1=O ZINC000980333326 662635637 /nfs/dbraw/zinc/63/56/37/662635637.db2.gz MQXSTKRXBMQEHJ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980349395 662635812 /nfs/dbraw/zinc/63/58/12/662635812.db2.gz IFZTVXZIVMJYCI-RKDXNWHRSA-N 1 1 320.353 -1.404 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980351321 662635856 /nfs/dbraw/zinc/63/58/56/662635856.db2.gz ZAZXOFOPXZXDLV-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000980350798 662635898 /nfs/dbraw/zinc/63/58/98/662635898.db2.gz BCQPXAUXIJJCIF-FIQHERPVSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980351312 662635913 /nfs/dbraw/zinc/63/59/13/662635913.db2.gz YTURLTZVMXBGHZ-QMMMGPOBSA-N 1 1 306.326 -1.793 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980351312 662635914 /nfs/dbraw/zinc/63/59/14/662635914.db2.gz YTURLTZVMXBGHZ-QMMMGPOBSA-N 1 1 306.326 -1.793 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980349394 662635936 /nfs/dbraw/zinc/63/59/36/662635936.db2.gz IFZTVXZIVMJYCI-IUCAKERBSA-N 1 1 320.353 -1.404 20 0 DAADMO C[N@H+](CCO)[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000980386856 662636632 /nfs/dbraw/zinc/63/66/32/662636632.db2.gz NRCWZQQWYXCHOC-GFCCVEGCSA-N 1 1 319.427 -1.758 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000980386856 662636633 /nfs/dbraw/zinc/63/66/33/662636633.db2.gz NRCWZQQWYXCHOC-GFCCVEGCSA-N 1 1 319.427 -1.758 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386104 662636768 /nfs/dbraw/zinc/63/67/68/662636768.db2.gz GXNUYAGVFJVTOB-SNVBAGLBSA-N 1 1 317.353 -1.315 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386104 662636770 /nfs/dbraw/zinc/63/67/70/662636770.db2.gz GXNUYAGVFJVTOB-SNVBAGLBSA-N 1 1 317.353 -1.315 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980484255 662636832 /nfs/dbraw/zinc/63/68/32/662636832.db2.gz YIIQVNSOYSGAKR-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980426816 662636884 /nfs/dbraw/zinc/63/68/84/662636884.db2.gz KIXYBNDMBDHCFH-DTWKUNHWSA-N 1 1 304.372 -2.304 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980426816 662636885 /nfs/dbraw/zinc/63/68/85/662636885.db2.gz KIXYBNDMBDHCFH-DTWKUNHWSA-N 1 1 304.372 -2.304 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980444843 662636892 /nfs/dbraw/zinc/63/68/92/662636892.db2.gz BMOFVPVLOYXKHU-VXGBXAGGSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000980444843 662636893 /nfs/dbraw/zinc/63/68/93/662636893.db2.gz BMOFVPVLOYXKHU-VXGBXAGGSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943083 662637025 /nfs/dbraw/zinc/63/70/25/662637025.db2.gz KBFSZAFULYJDDK-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943083 662637027 /nfs/dbraw/zinc/63/70/27/662637027.db2.gz KBFSZAFULYJDDK-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC000980544427 662637136 /nfs/dbraw/zinc/63/71/36/662637136.db2.gz YZVXSIWTEWAAMH-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC000980544427 662637138 /nfs/dbraw/zinc/63/71/38/662637138.db2.gz YZVXSIWTEWAAMH-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)cc1=O ZINC001027942817 662637155 /nfs/dbraw/zinc/63/71/55/662637155.db2.gz HMPMTFXQXGZRTC-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)cc1=O ZINC001027942817 662637156 /nfs/dbraw/zinc/63/71/56/662637156.db2.gz HMPMTFXQXGZRTC-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027942024 662637210 /nfs/dbraw/zinc/63/72/10/662637210.db2.gz VBTAKZDSPNCJSS-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027942024 662637211 /nfs/dbraw/zinc/63/72/11/662637211.db2.gz VBTAKZDSPNCJSS-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000980508882 662637228 /nfs/dbraw/zinc/63/72/28/662637228.db2.gz WBVFJCZNCRGJSF-VIFPVBQESA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000980508882 662637229 /nfs/dbraw/zinc/63/72/29/662637229.db2.gz WBVFJCZNCRGJSF-VIFPVBQESA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ncn(C)n1 ZINC000980562203 662637447 /nfs/dbraw/zinc/63/74/47/662637447.db2.gz MXCXZLSMVHGRCQ-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ncn(C)n1 ZINC000980562202 662637656 /nfs/dbraw/zinc/63/76/56/662637656.db2.gz MXCXZLSMVHGRCQ-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980679491 662637774 /nfs/dbraw/zinc/63/77/74/662637774.db2.gz QXJNCVJGSLHWNI-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980679491 662637776 /nfs/dbraw/zinc/63/77/76/662637776.db2.gz QXJNCVJGSLHWNI-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn[nH]n1 ZINC000980636836 662637865 /nfs/dbraw/zinc/63/78/65/662637865.db2.gz FUMNBXWRSFZEDT-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000980677515 662637996 /nfs/dbraw/zinc/63/79/96/662637996.db2.gz NPCLBRWGMIYXBF-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000980677515 662637997 /nfs/dbraw/zinc/63/79/97/662637997.db2.gz NPCLBRWGMIYXBF-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn[nH]n1 ZINC000980636837 662638003 /nfs/dbraw/zinc/63/80/03/662638003.db2.gz FUMNBXWRSFZEDT-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980677294 662638020 /nfs/dbraw/zinc/63/80/20/662638020.db2.gz JYNLJBXVAVAEAW-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980677294 662638021 /nfs/dbraw/zinc/63/80/21/662638021.db2.gz JYNLJBXVAVAEAW-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001010245193 662639152 /nfs/dbraw/zinc/63/91/52/662639152.db2.gz DIONIMSOQYQCIQ-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC000936682145 662639506 /nfs/dbraw/zinc/63/95/06/662639506.db2.gz VFBQYGIEYXCRFN-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980873455 662640087 /nfs/dbraw/zinc/64/00/87/662640087.db2.gz XJHKWFYNZXYMGS-NSHDSACASA-N 1 1 317.411 -1.169 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980873455 662640089 /nfs/dbraw/zinc/64/00/89/662640089.db2.gz XJHKWFYNZXYMGS-NSHDSACASA-N 1 1 317.411 -1.169 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013008 662640625 /nfs/dbraw/zinc/64/06/25/662640625.db2.gz GZPYJGRTCPSCRR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013008 662640627 /nfs/dbraw/zinc/64/06/27/662640627.db2.gz GZPYJGRTCPSCRR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001923 662640730 /nfs/dbraw/zinc/64/07/30/662640730.db2.gz VMUNOKZPWUGYNI-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001923 662640732 /nfs/dbraw/zinc/64/07/32/662640732.db2.gz VMUNOKZPWUGYNI-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013009 662640911 /nfs/dbraw/zinc/64/09/11/662640911.db2.gz GZPYJGRTCPSCRR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013009 662640913 /nfs/dbraw/zinc/64/09/13/662640913.db2.gz GZPYJGRTCPSCRR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000980999106 662640940 /nfs/dbraw/zinc/64/09/40/662640940.db2.gz DPWUUDAXXSZQTG-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000980999106 662640942 /nfs/dbraw/zinc/64/09/42/662640942.db2.gz DPWUUDAXXSZQTG-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981174870 662641905 /nfs/dbraw/zinc/64/19/05/662641905.db2.gz ZTGUNQJIEOATJU-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981174870 662641906 /nfs/dbraw/zinc/64/19/06/662641906.db2.gz ZTGUNQJIEOATJU-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043324 662641939 /nfs/dbraw/zinc/64/19/39/662641939.db2.gz LIJQZWPUDUGQIP-PWSUYJOCSA-N 1 1 307.354 -1.062 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981172235 662641968 /nfs/dbraw/zinc/64/19/68/662641968.db2.gz XTZJQDBZOWSVIK-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981172235 662641970 /nfs/dbraw/zinc/64/19/70/662641970.db2.gz XTZJQDBZOWSVIK-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043368 662642033 /nfs/dbraw/zinc/64/20/33/662642033.db2.gz MFVSNJVAERIVQJ-ONGXEEELSA-N 1 1 320.353 -1.569 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043368 662642035 /nfs/dbraw/zinc/64/20/35/662642035.db2.gz MFVSNJVAERIVQJ-ONGXEEELSA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197798 662642448 /nfs/dbraw/zinc/64/24/48/662642448.db2.gz PGLWJSFBXHBTIP-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CCC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001028061446 662642724 /nfs/dbraw/zinc/64/27/24/662642724.db2.gz QRYMPFWDCYJGPZ-JTQLQIEISA-N 1 1 320.357 -1.120 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001028073958 662643202 /nfs/dbraw/zinc/64/32/02/662643202.db2.gz ZMTPTLFLCADMTN-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001028073958 662643204 /nfs/dbraw/zinc/64/32/04/662643204.db2.gz ZMTPTLFLCADMTN-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001028073350 662643284 /nfs/dbraw/zinc/64/32/84/662643284.db2.gz SIHXBWNRPGGVTD-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001028073350 662643286 /nfs/dbraw/zinc/64/32/86/662643286.db2.gz SIHXBWNRPGGVTD-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CCC[N@H+](CCO)CC1 ZINC000981286347 662643589 /nfs/dbraw/zinc/64/35/89/662643589.db2.gz HLAMJAYRRHIGGM-UHFFFAOYSA-N 1 1 305.400 -1.452 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCn2cncn2)NC1=O ZINC001028076007 662643627 /nfs/dbraw/zinc/64/36/27/662643627.db2.gz HARWNFIHNVFVGL-VXGBXAGGSA-N 1 1 321.385 -1.118 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076321 662643675 /nfs/dbraw/zinc/64/36/75/662643675.db2.gz LTDSNGGPNQTOEF-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076321 662643676 /nfs/dbraw/zinc/64/36/76/662643676.db2.gz LTDSNGGPNQTOEF-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)n1 ZINC001028079984 662643995 /nfs/dbraw/zinc/64/39/95/662643995.db2.gz ADNFQOWILNRPGD-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)n1 ZINC001028079984 662643996 /nfs/dbraw/zinc/64/39/96/662643996.db2.gz ADNFQOWILNRPGD-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC001028082738 662644020 /nfs/dbraw/zinc/64/40/20/662644020.db2.gz MHLULBSFZLAIEK-SNVBAGLBSA-N 1 1 305.346 -1.304 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)n1 ZINC001028078635 662644179 /nfs/dbraw/zinc/64/41/79/662644179.db2.gz OIJPNUJGYSBFGN-JTQLQIEISA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)n1 ZINC001028078635 662644181 /nfs/dbraw/zinc/64/41/81/662644181.db2.gz OIJPNUJGYSBFGN-JTQLQIEISA-N 1 1 307.358 -1.363 20 0 DAADMO CN1CCN(CC(=O)N2CCC[N@@H+](CCCO)CC2)CC1=O ZINC000981495539 662644730 /nfs/dbraw/zinc/64/47/30/662644730.db2.gz UTTUSZDVSXEZGJ-UHFFFAOYSA-N 1 1 312.414 -1.323 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981503948 662644820 /nfs/dbraw/zinc/64/48/20/662644820.db2.gz SESDLFPOMUULNY-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981503948 662644821 /nfs/dbraw/zinc/64/48/21/662644821.db2.gz SESDLFPOMUULNY-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000981494876 662644986 /nfs/dbraw/zinc/64/49/86/662644986.db2.gz NGWPHYMLSJVEKR-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981435338 662645019 /nfs/dbraw/zinc/64/50/19/662645019.db2.gz DIKRFSPXWJLNDJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435338 662645020 /nfs/dbraw/zinc/64/50/20/662645020.db2.gz DIKRFSPXWJLNDJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981503947 662645057 /nfs/dbraw/zinc/64/50/57/662645057.db2.gz SESDLFPOMUULNY-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981503947 662645058 /nfs/dbraw/zinc/64/50/58/662645058.db2.gz SESDLFPOMUULNY-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CC(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000981559520 662645252 /nfs/dbraw/zinc/64/52/52/662645252.db2.gz JNZRGXHLQNUXCG-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000981559520 662645253 /nfs/dbraw/zinc/64/52/53/662645253.db2.gz JNZRGXHLQNUXCG-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981613164 662645648 /nfs/dbraw/zinc/64/56/48/662645648.db2.gz IQKIZBVPBDFHRL-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001028109119 662645658 /nfs/dbraw/zinc/64/56/58/662645658.db2.gz DLZPTMMWWPVGNF-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001028109716 662645682 /nfs/dbraw/zinc/64/56/82/662645682.db2.gz MNJUCNUMFOGSPW-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001028109716 662645683 /nfs/dbraw/zinc/64/56/83/662645683.db2.gz MNJUCNUMFOGSPW-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001028109120 662645691 /nfs/dbraw/zinc/64/56/91/662645691.db2.gz DLZPTMMWWPVGNF-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103708 662645698 /nfs/dbraw/zinc/64/56/98/662645698.db2.gz URYVWWOUXWDMQD-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103708 662645699 /nfs/dbraw/zinc/64/56/99/662645699.db2.gz URYVWWOUXWDMQD-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612493 662645839 /nfs/dbraw/zinc/64/58/39/662645839.db2.gz UOCPWISXKYHSHT-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612493 662645842 /nfs/dbraw/zinc/64/58/42/662645842.db2.gz UOCPWISXKYHSHT-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CCC[N@H+](CCO)CC1 ZINC000981672688 662646042 /nfs/dbraw/zinc/64/60/42/662646042.db2.gz AAVWGPIHLIQUCH-LBPRGKRZSA-N 1 1 307.354 -1.108 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001028109887 662646067 /nfs/dbraw/zinc/64/60/67/662646067.db2.gz PEDVTBCJADFGBC-QWRGUYRKSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001028109887 662646068 /nfs/dbraw/zinc/64/60/68/662646068.db2.gz PEDVTBCJADFGBC-QWRGUYRKSA-N 1 1 309.370 -1.473 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981678286 662646167 /nfs/dbraw/zinc/64/61/67/662646167.db2.gz QRRNWKOKQRZDMG-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC001028109908 662646319 /nfs/dbraw/zinc/64/63/19/662646319.db2.gz PIGXTACDPYZHJA-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC001028109908 662646320 /nfs/dbraw/zinc/64/63/20/662646320.db2.gz PIGXTACDPYZHJA-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)NC1=O ZINC000981750363 662646529 /nfs/dbraw/zinc/64/65/29/662646529.db2.gz AACMWRSZJDVOTH-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)NC1=O ZINC000981750363 662646531 /nfs/dbraw/zinc/64/65/31/662646531.db2.gz AACMWRSZJDVOTH-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981750215 662646693 /nfs/dbraw/zinc/64/66/93/662646693.db2.gz UBBFMBQCVUNPET-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981750215 662646694 /nfs/dbraw/zinc/64/66/94/662646694.db2.gz UBBFMBQCVUNPET-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750790 662646782 /nfs/dbraw/zinc/64/67/82/662646782.db2.gz JULJAXJZUDQMBW-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750790 662646783 /nfs/dbraw/zinc/64/67/83/662646783.db2.gz JULJAXJZUDQMBW-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981750212 662646843 /nfs/dbraw/zinc/64/68/43/662646843.db2.gz UBBFMBQCVUNPET-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981750212 662646844 /nfs/dbraw/zinc/64/68/44/662646844.db2.gz UBBFMBQCVUNPET-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742815 662646880 /nfs/dbraw/zinc/64/68/80/662646880.db2.gz SNVNYSIJDAUYOE-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742815 662646881 /nfs/dbraw/zinc/64/68/81/662646881.db2.gz SNVNYSIJDAUYOE-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)NC1=O ZINC000981750361 662646892 /nfs/dbraw/zinc/64/68/92/662646892.db2.gz AACMWRSZJDVOTH-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)NC1=O ZINC000981750361 662646893 /nfs/dbraw/zinc/64/68/93/662646893.db2.gz AACMWRSZJDVOTH-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751450 662646995 /nfs/dbraw/zinc/64/69/95/662646995.db2.gz RURLZFWEIWFZAU-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751450 662646997 /nfs/dbraw/zinc/64/69/97/662646997.db2.gz RURLZFWEIWFZAU-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@H+](CCN3CCCC3=O)CC2)n1 ZINC000981777621 662647007 /nfs/dbraw/zinc/64/70/07/662647007.db2.gz LZEOUAKGGZPIBM-UHFFFAOYSA-N 1 1 321.385 -1.020 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@@H+](CCN3CCCC3=O)CC2)n1 ZINC000981777621 662647009 /nfs/dbraw/zinc/64/70/09/662647009.db2.gz LZEOUAKGGZPIBM-UHFFFAOYSA-N 1 1 321.385 -1.020 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981749797 662647076 /nfs/dbraw/zinc/64/70/76/662647076.db2.gz IYAWOQCDEHNQMV-LBPRGKRZSA-N 1 1 323.397 -1.318 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O ZINC000981749951 662647209 /nfs/dbraw/zinc/64/72/09/662647209.db2.gz NJFDHUKVWXBHRV-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O ZINC000981749951 662647210 /nfs/dbraw/zinc/64/72/10/662647210.db2.gz NJFDHUKVWXBHRV-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751451 662647229 /nfs/dbraw/zinc/64/72/29/662647229.db2.gz RURLZFWEIWFZAU-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751451 662647231 /nfs/dbraw/zinc/64/72/31/662647231.db2.gz RURLZFWEIWFZAU-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O ZINC000981749948 662647236 /nfs/dbraw/zinc/64/72/36/662647236.db2.gz NJFDHUKVWXBHRV-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)C1=O ZINC000981749948 662647238 /nfs/dbraw/zinc/64/72/38/662647238.db2.gz NJFDHUKVWXBHRV-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000981825238 662647439 /nfs/dbraw/zinc/64/74/39/662647439.db2.gz AIVVYBXBLUAUHR-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000981825238 662647438 /nfs/dbraw/zinc/64/74/38/662647438.db2.gz AIVVYBXBLUAUHR-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC000981793048 662647505 /nfs/dbraw/zinc/64/75/05/662647505.db2.gz HIXXFZLVTCUXJH-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC000981793048 662647507 /nfs/dbraw/zinc/64/75/07/662647507.db2.gz HIXXFZLVTCUXJH-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)n1 ZINC000981778320 662647521 /nfs/dbraw/zinc/64/75/21/662647521.db2.gz HMEIIHZURYYFTA-UHFFFAOYSA-N 1 1 322.369 -1.706 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771196 662647745 /nfs/dbraw/zinc/64/77/45/662647745.db2.gz PGGKKBIYPQPKJX-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771196 662647746 /nfs/dbraw/zinc/64/77/46/662647746.db2.gz PGGKKBIYPQPKJX-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981852366 662648352 /nfs/dbraw/zinc/64/83/52/662648352.db2.gz BFENMCIUKZWRND-LLVKDONJSA-N 1 1 324.385 -1.773 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981852366 662648355 /nfs/dbraw/zinc/64/83/55/662648355.db2.gz BFENMCIUKZWRND-LLVKDONJSA-N 1 1 324.385 -1.773 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981852865 662648479 /nfs/dbraw/zinc/64/84/79/662648479.db2.gz IVKUTCNHNVXKIL-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981852865 662648481 /nfs/dbraw/zinc/64/84/81/662648481.db2.gz IVKUTCNHNVXKIL-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981853727 662648492 /nfs/dbraw/zinc/64/84/92/662648492.db2.gz VBPJOQIWQBJZQH-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981853727 662648494 /nfs/dbraw/zinc/64/84/94/662648494.db2.gz VBPJOQIWQBJZQH-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981852367 662648566 /nfs/dbraw/zinc/64/85/66/662648566.db2.gz BFENMCIUKZWRND-NSHDSACASA-N 1 1 324.385 -1.773 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981852367 662648570 /nfs/dbraw/zinc/64/85/70/662648570.db2.gz BFENMCIUKZWRND-NSHDSACASA-N 1 1 324.385 -1.773 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981852864 662648704 /nfs/dbraw/zinc/64/87/04/662648704.db2.gz IVKUTCNHNVXKIL-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981852864 662648707 /nfs/dbraw/zinc/64/87/07/662648707.db2.gz IVKUTCNHNVXKIL-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981853730 662648749 /nfs/dbraw/zinc/64/87/49/662648749.db2.gz VBPJOQIWQBJZQH-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981853730 662648750 /nfs/dbraw/zinc/64/87/50/662648750.db2.gz VBPJOQIWQBJZQH-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)Cn1nccn1)CCO2 ZINC000949105036 662648931 /nfs/dbraw/zinc/64/89/31/662648931.db2.gz NMFXVNXZWOCCFH-UHFFFAOYSA-N 1 1 322.369 -1.543 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000981865207 662649039 /nfs/dbraw/zinc/64/90/39/662649039.db2.gz OQCLQKUZTBVNTN-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000981865207 662649040 /nfs/dbraw/zinc/64/90/40/662649040.db2.gz OQCLQKUZTBVNTN-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000981861217 662649063 /nfs/dbraw/zinc/64/90/63/662649063.db2.gz HLEHPRRPURGPFT-LBPRGKRZSA-N 1 1 323.397 -1.113 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981933960 662649318 /nfs/dbraw/zinc/64/93/18/662649318.db2.gz ALKXTGUSUGAGMM-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CNC(=O)C1 ZINC000981912329 662649339 /nfs/dbraw/zinc/64/93/39/662649339.db2.gz FAGKUSCQDAAVRB-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CNC(=O)C1 ZINC000981912329 662649340 /nfs/dbraw/zinc/64/93/40/662649340.db2.gz FAGKUSCQDAAVRB-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981933963 662649433 /nfs/dbraw/zinc/64/94/33/662649433.db2.gz ALKXTGUSUGAGMM-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981925522 662649600 /nfs/dbraw/zinc/64/96/00/662649600.db2.gz CIPUPOUWDHYPTD-UHFFFAOYSA-N 1 1 317.371 -1.803 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981933962 662649680 /nfs/dbraw/zinc/64/96/80/662649680.db2.gz ALKXTGUSUGAGMM-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981944760 662649838 /nfs/dbraw/zinc/64/98/38/662649838.db2.gz IGKBRPNCNDUQKI-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981944760 662649840 /nfs/dbraw/zinc/64/98/40/662649840.db2.gz IGKBRPNCNDUQKI-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934912 662649887 /nfs/dbraw/zinc/64/98/87/662649887.db2.gz IFNPAVBVFVRJQX-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934912 662649889 /nfs/dbraw/zinc/64/98/89/662649889.db2.gz IFNPAVBVFVRJQX-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934911 662649984 /nfs/dbraw/zinc/64/99/84/662649984.db2.gz IFNPAVBVFVRJQX-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934911 662649985 /nfs/dbraw/zinc/64/99/85/662649985.db2.gz IFNPAVBVFVRJQX-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946338 662650306 /nfs/dbraw/zinc/65/03/06/662650306.db2.gz AJTOJNPNZZWLAQ-VIFPVBQESA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946338 662650307 /nfs/dbraw/zinc/65/03/07/662650307.db2.gz AJTOJNPNZZWLAQ-VIFPVBQESA-N 1 1 307.358 -1.378 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001038158586 662650322 /nfs/dbraw/zinc/65/03/22/662650322.db2.gz SOKNYBZDIGLDSX-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001038158586 662650325 /nfs/dbraw/zinc/65/03/25/662650325.db2.gz SOKNYBZDIGLDSX-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1=O ZINC000981951555 662650551 /nfs/dbraw/zinc/65/05/51/662650551.db2.gz ZWEASFRVEFPSDP-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1=O ZINC000981951555 662650552 /nfs/dbraw/zinc/65/05/52/662650552.db2.gz ZWEASFRVEFPSDP-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975418 662650794 /nfs/dbraw/zinc/65/07/94/662650794.db2.gz RIBAMMLVOUFJJP-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c(=O)n(C)c1=O ZINC001028177804 662650840 /nfs/dbraw/zinc/65/08/40/662650840.db2.gz HAJIJYWLUILGIG-VIFPVBQESA-N 1 1 323.353 -2.237 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c(=O)n(C)c1=O ZINC001028177804 662650841 /nfs/dbraw/zinc/65/08/41/662650841.db2.gz HAJIJYWLUILGIG-VIFPVBQESA-N 1 1 323.353 -2.237 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000981975720 662650843 /nfs/dbraw/zinc/65/08/43/662650843.db2.gz IDCRCFLHMRIQPN-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000981975720 662650844 /nfs/dbraw/zinc/65/08/44/662650844.db2.gz IDCRCFLHMRIQPN-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975643 662650850 /nfs/dbraw/zinc/65/08/50/662650850.db2.gz ZUBXGRZOHSAMSH-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975642 662650949 /nfs/dbraw/zinc/65/09/49/662650949.db2.gz ZUBXGRZOHSAMSH-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981975583 662650983 /nfs/dbraw/zinc/65/09/83/662650983.db2.gz XUSPQSUOMYRPIG-WDEREUQCSA-N 1 1 321.381 -1.519 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196514 662651196 /nfs/dbraw/zinc/65/11/96/662651196.db2.gz MMMLIWOAHBCQES-ZYTOWTHASA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196514 662651197 /nfs/dbraw/zinc/65/11/97/662651197.db2.gz MMMLIWOAHBCQES-ZYTOWTHASA-N 1 1 323.353 -1.960 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)C1CC2(C1)NC(=O)NC2=O ZINC001028197054 662651211 /nfs/dbraw/zinc/65/12/11/662651211.db2.gz WNEYAJUFKAADOK-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000981979717 662651386 /nfs/dbraw/zinc/65/13/86/662651386.db2.gz JEDRLAVDJFUOBO-LBPRGKRZSA-N 1 1 321.381 -1.346 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201956 662651593 /nfs/dbraw/zinc/65/15/93/662651593.db2.gz PRXXQZXKYULALR-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201956 662651596 /nfs/dbraw/zinc/65/15/96/662651596.db2.gz PRXXQZXKYULALR-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000957921899 662652041 /nfs/dbraw/zinc/65/20/41/662652041.db2.gz AEKUDPOWANEQCY-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000957921899 662652042 /nfs/dbraw/zinc/65/20/42/662652042.db2.gz AEKUDPOWANEQCY-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000949143609 662652050 /nfs/dbraw/zinc/65/20/50/662652050.db2.gz LTVDAGHTRYQALT-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000982069343 662652200 /nfs/dbraw/zinc/65/22/00/662652200.db2.gz VNRVHOZHSQYJKI-UHFFFAOYSA-N 1 1 322.365 -1.551 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000982069343 662652202 /nfs/dbraw/zinc/65/22/02/662652202.db2.gz VNRVHOZHSQYJKI-UHFFFAOYSA-N 1 1 322.365 -1.551 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083327 662652328 /nfs/dbraw/zinc/65/23/28/662652328.db2.gz JBMWIPFCMZDBHP-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083327 662652330 /nfs/dbraw/zinc/65/23/30/662652330.db2.gz JBMWIPFCMZDBHP-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982069003 662652419 /nfs/dbraw/zinc/65/24/19/662652419.db2.gz KCYOQCXWFFHNJQ-UHFFFAOYSA-N 1 1 309.366 -1.044 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000957921896 662652425 /nfs/dbraw/zinc/65/24/25/662652425.db2.gz AEKUDPOWANEQCY-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000957921896 662652426 /nfs/dbraw/zinc/65/24/26/662652426.db2.gz AEKUDPOWANEQCY-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@@H+](CCCO)CC2)S1(=O)=O ZINC000982165424 662652683 /nfs/dbraw/zinc/65/26/83/662652683.db2.gz FLTXSVMMURYQDA-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1cnon1 ZINC001028215751 662652779 /nfs/dbraw/zinc/65/27/79/662652779.db2.gz XKDPFHGPFAROEA-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O)c1cnon1 ZINC001028215751 662652780 /nfs/dbraw/zinc/65/27/80/662652780.db2.gz XKDPFHGPFAROEA-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000982166096 662653001 /nfs/dbraw/zinc/65/30/01/662653001.db2.gz ZDJIYWBBXVRVJF-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1ncc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)n1 ZINC000982192646 662653075 /nfs/dbraw/zinc/65/30/75/662653075.db2.gz ZXYRRPCQXRXIDA-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1ncc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)n1 ZINC000982192646 662653077 /nfs/dbraw/zinc/65/30/77/662653077.db2.gz ZXYRRPCQXRXIDA-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000982166097 662653285 /nfs/dbraw/zinc/65/32/85/662653285.db2.gz ZDJIYWBBXVRVJF-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000982227653 662653322 /nfs/dbraw/zinc/65/33/22/662653322.db2.gz GYBFODLYJGNESL-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000982227653 662653323 /nfs/dbraw/zinc/65/33/23/662653323.db2.gz GYBFODLYJGNESL-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000982176788 662653327 /nfs/dbraw/zinc/65/33/27/662653327.db2.gz QIBMMNLHOFPALO-SNVBAGLBSA-N 1 1 322.365 -1.551 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000982176788 662653328 /nfs/dbraw/zinc/65/33/28/662653328.db2.gz QIBMMNLHOFPALO-SNVBAGLBSA-N 1 1 322.365 -1.551 20 0 DAADMO NC(=O)CN1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000982227486 662653332 /nfs/dbraw/zinc/65/33/32/662653332.db2.gz XBKRNKDOCBFPMS-UHFFFAOYSA-N 1 1 323.353 -2.054 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 ZINC000982281260 662654507 /nfs/dbraw/zinc/65/45/07/662654507.db2.gz RIFKQCFOJLXQTL-LEWSCRJBSA-N 1 1 321.385 -1.283 20 0 DAADMO O=C(c1cnon1)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000982284814 662654518 /nfs/dbraw/zinc/65/45/18/662654518.db2.gz ZOLBVHINZWFCSL-UHFFFAOYSA-N 1 1 322.325 -1.231 20 0 DAADMO O=C(c1cnon1)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000982284814 662654519 /nfs/dbraw/zinc/65/45/19/662654519.db2.gz ZOLBVHINZWFCSL-UHFFFAOYSA-N 1 1 322.325 -1.231 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982298340 662655436 /nfs/dbraw/zinc/65/54/36/662655436.db2.gz AXZHAHZNRQVBPC-NZVBXONLSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261543 662656043 /nfs/dbraw/zinc/65/60/43/662656043.db2.gz ZWRYZSIJKBGPPN-VHSXEESVSA-N 1 1 320.353 -1.007 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc(=O)n2[nH]cnc2n1 ZINC001028262432 662656322 /nfs/dbraw/zinc/65/63/22/662656322.db2.gz UPPLPPSONZABEM-SNVBAGLBSA-N 1 1 320.353 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261541 662656456 /nfs/dbraw/zinc/65/64/56/662656456.db2.gz ZWRYZSIJKBGPPN-NXEZZACHSA-N 1 1 320.353 -1.007 20 0 DAADMO Cn1ncc(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)n1 ZINC000949209638 662657376 /nfs/dbraw/zinc/65/73/76/662657376.db2.gz MEFWADJWMBVUFL-UHFFFAOYSA-N 1 1 322.369 -1.393 20 0 DAADMO Cn1nnc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425301 662658093 /nfs/dbraw/zinc/65/80/93/662658093.db2.gz CNXHHLZMCCBCOY-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425301 662658095 /nfs/dbraw/zinc/65/80/95/662658095.db2.gz CNXHHLZMCCBCOY-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000982423562 662658276 /nfs/dbraw/zinc/65/82/76/662658276.db2.gz YHUITGLQXJMRPR-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982428735 662658895 /nfs/dbraw/zinc/65/88/95/662658895.db2.gz KRZHPSBKWKYPPQ-NZVBXONLSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCNC3=O)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982428735 662658896 /nfs/dbraw/zinc/65/88/96/662658896.db2.gz KRZHPSBKWKYPPQ-NZVBXONLSA-N 1 1 308.382 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000982426674 662658914 /nfs/dbraw/zinc/65/89/14/662658914.db2.gz YHUITGLQXJMRPR-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)n1 ZINC000982452427 662659573 /nfs/dbraw/zinc/65/95/73/662659573.db2.gz IUPFGSYCAMQBPK-BETUJISGSA-N 1 1 307.358 -1.521 20 0 DAADMO Cn1nnc(C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)n1 ZINC000982452427 662659575 /nfs/dbraw/zinc/65/95/75/662659575.db2.gz IUPFGSYCAMQBPK-BETUJISGSA-N 1 1 307.358 -1.521 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936907914 662660049 /nfs/dbraw/zinc/66/00/49/662660049.db2.gz ASYKGDPVNRFALV-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028302271 662665053 /nfs/dbraw/zinc/66/50/53/662665053.db2.gz PQEBJQWGGZPCPV-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028302271 662665054 /nfs/dbraw/zinc/66/50/54/662665054.db2.gz PQEBJQWGGZPCPV-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001028306549 662665578 /nfs/dbraw/zinc/66/55/78/662665578.db2.gz JGSTVISMBHAMND-LLVKDONJSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001028306549 662665580 /nfs/dbraw/zinc/66/55/80/662665580.db2.gz JGSTVISMBHAMND-LLVKDONJSA-N 1 1 311.386 -1.157 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937002882 662666925 /nfs/dbraw/zinc/66/69/25/662666925.db2.gz WBPYBPLRSSIMPM-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937002882 662666927 /nfs/dbraw/zinc/66/69/27/662666927.db2.gz WBPYBPLRSSIMPM-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335408 662668748 /nfs/dbraw/zinc/66/87/48/662668748.db2.gz UUGJSQJYMNELRP-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335410 662668909 /nfs/dbraw/zinc/66/89/09/662668909.db2.gz UUGJSQJYMNELRP-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)n(C)c1=O ZINC001028339149 662669286 /nfs/dbraw/zinc/66/92/86/662669286.db2.gz PFZQNRNLBRUYBH-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)n(C)c1=O ZINC001028339149 662669287 /nfs/dbraw/zinc/66/92/87/662669287.db2.gz PFZQNRNLBRUYBH-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001028356755 662670229 /nfs/dbraw/zinc/67/02/29/662670229.db2.gz QDGSUHZJKMNBSH-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001028356755 662670230 /nfs/dbraw/zinc/67/02/30/662670230.db2.gz QDGSUHZJKMNBSH-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982497280 662670858 /nfs/dbraw/zinc/67/08/58/662670858.db2.gz QJGMYRZRSLJRFZ-MMDVMMEASA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982504102 662671590 /nfs/dbraw/zinc/67/15/90/662671590.db2.gz UNOVPDZPKGXLGA-OKILXGFUSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982504102 662671592 /nfs/dbraw/zinc/67/15/92/662671592.db2.gz UNOVPDZPKGXLGA-OKILXGFUSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CC(=O)N1CCC1)C2 ZINC000982502632 662671596 /nfs/dbraw/zinc/67/15/96/662671596.db2.gz GRYWVLFBKSZOEH-GASCZTMLSA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1nnnc1CN1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028466106 662672461 /nfs/dbraw/zinc/67/24/61/662672461.db2.gz OMFAYZPLEFIOCD-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028466106 662672464 /nfs/dbraw/zinc/67/24/64/662672464.db2.gz OMFAYZPLEFIOCD-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464877 662672539 /nfs/dbraw/zinc/67/25/39/662672539.db2.gz GRPINOKVUPZBPW-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577159 662674281 /nfs/dbraw/zinc/67/42/81/662674281.db2.gz GHXFSSDGTPCTTP-PWSUYJOCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577159 662674282 /nfs/dbraw/zinc/67/42/82/662674282.db2.gz GHXFSSDGTPCTTP-PWSUYJOCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC000937220193 662674478 /nfs/dbraw/zinc/67/44/78/662674478.db2.gz DBYJMTGOCNGZNR-SRVKXCTJSA-N 1 1 324.381 -1.748 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028512862 662674505 /nfs/dbraw/zinc/67/45/05/662674505.db2.gz KBGFSQKHMGXTRS-NXEZZACHSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028514630 662674586 /nfs/dbraw/zinc/67/45/86/662674586.db2.gz PHHKVSBTEZLZEO-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028514630 662674589 /nfs/dbraw/zinc/67/45/89/662674589.db2.gz PHHKVSBTEZLZEO-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028564479 662675063 /nfs/dbraw/zinc/67/50/63/662675063.db2.gz FANGJRJPTUVTOU-JTQLQIEISA-N 1 1 317.353 -1.078 20 0 DAADMO O=C(C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1)N1CCC1 ZINC000982660835 662676596 /nfs/dbraw/zinc/67/65/96/662676596.db2.gz YAZQQPHTHJOOAU-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO O=C(C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1)N1CCC1 ZINC000982660835 662676598 /nfs/dbraw/zinc/67/65/98/662676598.db2.gz YAZQQPHTHJOOAU-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982683830 662677148 /nfs/dbraw/zinc/67/71/48/662677148.db2.gz XDOGSMGHWSHGED-NSHDSACASA-N 1 1 309.374 -1.139 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982683830 662677150 /nfs/dbraw/zinc/67/71/50/662677150.db2.gz XDOGSMGHWSHGED-NSHDSACASA-N 1 1 309.374 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000982791701 662679941 /nfs/dbraw/zinc/67/99/41/662679941.db2.gz NGVINCQFFNWXDM-NWDGAFQWSA-N 1 1 321.385 -1.411 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602870 662681040 /nfs/dbraw/zinc/68/10/40/662681040.db2.gz PPGMNABCDYKULE-JTQLQIEISA-N 1 1 307.354 -1.422 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001028596671 662681316 /nfs/dbraw/zinc/68/13/16/662681316.db2.gz JFHUFONKLKTMET-QMMMGPOBSA-N 1 1 303.326 -1.110 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000991724717 662681344 /nfs/dbraw/zinc/68/13/44/662681344.db2.gz WPWUSSJFDRPPEQ-SECBINFHSA-N 1 1 323.353 -2.183 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H]3CC[N@H+](CC(N)=O)C3)nn2c1 ZINC001028620008 662681650 /nfs/dbraw/zinc/68/16/50/662681650.db2.gz CDEKKOJBEHAUCZ-JTQLQIEISA-N 1 1 317.353 -1.030 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H]3CC[N@@H+](CC(N)=O)C3)nn2c1 ZINC001028620008 662681651 /nfs/dbraw/zinc/68/16/51/662681651.db2.gz CDEKKOJBEHAUCZ-JTQLQIEISA-N 1 1 317.353 -1.030 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)co1 ZINC001028638085 662682616 /nfs/dbraw/zinc/68/26/16/662682616.db2.gz CRHLGQRZALOUID-VIFPVBQESA-N 1 1 317.367 -1.029 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]n1 ZINC001028653995 662683068 /nfs/dbraw/zinc/68/30/68/662683068.db2.gz WKYVIWYXKGONNO-PSASIEDQSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653995 662683069 /nfs/dbraw/zinc/68/30/69/662683069.db2.gz WKYVIWYXKGONNO-PSASIEDQSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001028653995 662683070 /nfs/dbraw/zinc/68/30/70/662683070.db2.gz WKYVIWYXKGONNO-PSASIEDQSA-N 1 1 306.326 -1.338 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001028661326 662684144 /nfs/dbraw/zinc/68/41/44/662684144.db2.gz JBCXRRGKHJZQHX-SNVBAGLBSA-N 1 1 321.381 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028671736 662684519 /nfs/dbraw/zinc/68/45/19/662684519.db2.gz PIVSMAIBQZGSFA-MNOVXSKESA-N 1 1 311.386 -1.300 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001028682394 662684853 /nfs/dbraw/zinc/68/48/53/662684853.db2.gz HYEXXTPDDDDHJI-MRVPVSSYSA-N 1 1 303.326 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001028682394 662684855 /nfs/dbraw/zinc/68/48/55/662684855.db2.gz HYEXXTPDDDDHJI-MRVPVSSYSA-N 1 1 303.326 -1.110 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001028690908 662685419 /nfs/dbraw/zinc/68/54/19/662685419.db2.gz JJSBTMMVSDBWRD-VIFPVBQESA-N 1 1 308.338 -1.080 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001028690908 662685422 /nfs/dbraw/zinc/68/54/22/662685422.db2.gz JJSBTMMVSDBWRD-VIFPVBQESA-N 1 1 308.338 -1.080 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000983128613 662685790 /nfs/dbraw/zinc/68/57/90/662685790.db2.gz KAAFWCAEODKKIG-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702940 662686274 /nfs/dbraw/zinc/68/62/74/662686274.db2.gz OISPXZWXNIYRGO-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028707455 662686417 /nfs/dbraw/zinc/68/64/17/662686417.db2.gz QGOCFSNCUFTFJX-JQWIXIFHSA-N 1 1 307.354 -1.204 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028703075 662686455 /nfs/dbraw/zinc/68/64/55/662686455.db2.gz PEROWVGAMQSFEP-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001028708016 662686487 /nfs/dbraw/zinc/68/64/87/662686487.db2.gz BLTNBDDYRZGECP-OWTLIXCDSA-N 1 1 311.382 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167428 662686500 /nfs/dbraw/zinc/68/65/00/662686500.db2.gz KJRWAVBAQIXQFG-CMPLNLGQSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167428 662686501 /nfs/dbraw/zinc/68/65/01/662686501.db2.gz KJRWAVBAQIXQFG-CMPLNLGQSA-N 1 1 323.353 -1.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702640 662686578 /nfs/dbraw/zinc/68/65/78/662686578.db2.gz LKBYXSUTYDNXKP-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001028703581 662686587 /nfs/dbraw/zinc/68/65/87/662686587.db2.gz WPBYIBLLPGKZQX-ZYHUDNBSSA-N 1 1 319.365 -1.280 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC000983206123 662688317 /nfs/dbraw/zinc/68/83/17/662688317.db2.gz SGMRVRUVEHRHQF-VIFPVBQESA-N 1 1 323.353 -1.200 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1C ZINC001028726235 662688908 /nfs/dbraw/zinc/68/89/08/662688908.db2.gz VJLQUTBUGCQSOW-NSHDSACASA-N 1 1 321.381 -1.066 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028740892 662689095 /nfs/dbraw/zinc/68/90/95/662689095.db2.gz UAIZDCPIDAPDGK-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC1=O ZINC001028736862 662689202 /nfs/dbraw/zinc/68/92/02/662689202.db2.gz FOSRVUBKXAYTMF-NEPJUHHUSA-N 1 1 306.370 -1.148 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740481 662689481 /nfs/dbraw/zinc/68/94/81/662689481.db2.gz QOWUPUPEJXFTHC-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740481 662689483 /nfs/dbraw/zinc/68/94/83/662689483.db2.gz QOWUPUPEJXFTHC-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741121 662689529 /nfs/dbraw/zinc/68/95/29/662689529.db2.gz VORHCKZZZUMMNM-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741121 662689532 /nfs/dbraw/zinc/68/95/32/662689532.db2.gz VORHCKZZZUMMNM-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028749293 662689779 /nfs/dbraw/zinc/68/97/79/662689779.db2.gz RKXNOSRZQGVDBR-ZJUUUORDSA-N 1 1 309.374 -1.262 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028749718 662690033 /nfs/dbraw/zinc/69/00/33/662690033.db2.gz WWXWYORRVOLBGF-DTWKUNHWSA-N 1 1 321.341 -1.933 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028748353 662690311 /nfs/dbraw/zinc/69/03/11/662690311.db2.gz KEKACSSUKCBAEN-SNVBAGLBSA-N 1 1 322.373 -1.713 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028768849 662690375 /nfs/dbraw/zinc/69/03/75/662690375.db2.gz WNRPSUYMHOPGIZ-ZJUUUORDSA-N 1 1 307.354 -1.044 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001028772655 662690870 /nfs/dbraw/zinc/69/08/70/662690870.db2.gz FESYMYAZGKFDGO-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001028766693 662690957 /nfs/dbraw/zinc/69/09/57/662690957.db2.gz XYHRRJZFRYMXGS-ONGXEEELSA-N 1 1 305.338 -1.290 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)CC2 ZINC001028764509 662691086 /nfs/dbraw/zinc/69/10/86/662691086.db2.gz HYYPQMKCSWMRFI-QWRGUYRKSA-N 1 1 320.397 -1.157 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001028773269 662691268 /nfs/dbraw/zinc/69/12/68/662691268.db2.gz KMRMDEJGWRVVIX-QWRGUYRKSA-N 1 1 309.370 -1.662 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924980663 662691410 /nfs/dbraw/zinc/69/14/10/662691410.db2.gz JSZCLKJDTHPMRQ-ZJUUUORDSA-N 1 1 308.404 -2.094 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001028774017 662691488 /nfs/dbraw/zinc/69/14/88/662691488.db2.gz QZTCQJDADADGIG-KOLCDFICSA-N 1 1 309.370 -1.616 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774731 662691915 /nfs/dbraw/zinc/69/19/15/662691915.db2.gz ZUOYPLIVKYDNSS-ZJUUUORDSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774731 662691916 /nfs/dbraw/zinc/69/19/16/662691916.db2.gz ZUOYPLIVKYDNSS-ZJUUUORDSA-N 1 1 318.399 -1.850 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028805318 662692035 /nfs/dbraw/zinc/69/20/35/662692035.db2.gz NDEJVENBYWQYIS-JLLWLGSASA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028807206 662692135 /nfs/dbraw/zinc/69/21/35/662692135.db2.gz DNSZKPSNDCYJGV-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001028803741 662692179 /nfs/dbraw/zinc/69/21/79/662692179.db2.gz GCALBXFCVUKLSS-SECBINFHSA-N 1 1 307.354 -1.089 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924985540 662692372 /nfs/dbraw/zinc/69/23/72/662692372.db2.gz CBZMRWHBVYVFMS-DCAQKATOSA-N 1 1 307.416 -1.259 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC000983333854 662692647 /nfs/dbraw/zinc/69/26/47/662692647.db2.gz DVWNXEFGULPXSZ-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001028862424 662692677 /nfs/dbraw/zinc/69/26/77/662692677.db2.gz RHWHQQLNKBSVJM-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001028840709 662692745 /nfs/dbraw/zinc/69/27/45/662692745.db2.gz KKCYILDBWUPLKQ-JTQLQIEISA-N 1 1 310.354 -1.872 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028867140 662692943 /nfs/dbraw/zinc/69/29/43/662692943.db2.gz YZRDBSDXHPSRFO-SECBINFHSA-N 1 1 310.354 -1.777 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001028864033 662693006 /nfs/dbraw/zinc/69/30/06/662693006.db2.gz ITCLMTDYYBJQKT-NAUIOFCNSA-N 1 1 310.354 -1.595 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028865278 662693073 /nfs/dbraw/zinc/69/30/73/662693073.db2.gz OQVFHTGOCFXPDS-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028865278 662693076 /nfs/dbraw/zinc/69/30/76/662693076.db2.gz OQVFHTGOCFXPDS-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877521 662693097 /nfs/dbraw/zinc/69/30/97/662693097.db2.gz VTQHYAGBBSTCJD-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001028877521 662693099 /nfs/dbraw/zinc/69/30/99/662693099.db2.gz VTQHYAGBBSTCJD-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001028877521 662693102 /nfs/dbraw/zinc/69/31/02/662693102.db2.gz VTQHYAGBBSTCJD-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877521 662693105 /nfs/dbraw/zinc/69/31/05/662693105.db2.gz VTQHYAGBBSTCJD-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877521 662693108 /nfs/dbraw/zinc/69/31/08/662693108.db2.gz VTQHYAGBBSTCJD-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865961 662693182 /nfs/dbraw/zinc/69/31/82/662693182.db2.gz CQRGBTIZZNWUFB-RKDXNWHRSA-N 1 1 310.354 -1.649 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)S1(=O)=O ZINC001028862470 662693190 /nfs/dbraw/zinc/69/31/90/662693190.db2.gz SGPZWLCRAGDTTH-QWRGUYRKSA-N 1 1 305.400 -1.549 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028876051 662693391 /nfs/dbraw/zinc/69/33/91/662693391.db2.gz PHMKNRCUESOUIP-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028876051 662693395 /nfs/dbraw/zinc/69/33/95/662693395.db2.gz PHMKNRCUESOUIP-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866984 662693510 /nfs/dbraw/zinc/69/35/10/662693510.db2.gz WDAGRSMBMSTXSW-UWVGGRQHSA-N 1 1 324.381 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001028926783 662693871 /nfs/dbraw/zinc/69/38/71/662693871.db2.gz RKTSYUVXJLOWGG-ZJUUUORDSA-N 1 1 306.370 -1.167 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936481 662694059 /nfs/dbraw/zinc/69/40/59/662694059.db2.gz YJFXHWXBKPFDSN-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936481 662694060 /nfs/dbraw/zinc/69/40/60/662694060.db2.gz YJFXHWXBKPFDSN-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928642 662694070 /nfs/dbraw/zinc/69/40/70/662694070.db2.gz NGDQISQCWUETQJ-ZJUUUORDSA-N 1 1 320.353 -1.150 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001028936561 662694205 /nfs/dbraw/zinc/69/42/05/662694205.db2.gz DGYQEQREOWWMJO-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979824 662694434 /nfs/dbraw/zinc/69/44/34/662694434.db2.gz GEQWJYNPVZLTPP-ZJUUUORDSA-N 1 1 310.354 -1.082 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971412 662694444 /nfs/dbraw/zinc/69/44/44/662694444.db2.gz NHHGTXKYFKTRNM-SNVBAGLBSA-N 1 1 307.354 -1.422 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028963187 662694486 /nfs/dbraw/zinc/69/44/86/662694486.db2.gz IYZUNVCEHNUBKJ-NWDGAFQWSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970825 662694555 /nfs/dbraw/zinc/69/45/55/662694555.db2.gz ADIOBOWPXWNAEO-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990749 662694669 /nfs/dbraw/zinc/69/46/69/662694669.db2.gz PWYYIAFVNIZNID-WDEREUQCSA-N 1 1 305.400 -1.237 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990746 662694730 /nfs/dbraw/zinc/69/47/30/662694730.db2.gz PWYYIAFVNIZNID-GHMZBOCLSA-N 1 1 305.400 -1.237 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028989977 662694733 /nfs/dbraw/zinc/69/47/33/662694733.db2.gz BGUKCKJPKDLZME-RKDXNWHRSA-N 1 1 304.372 -2.399 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H]3CC[N@H+](CC(N)=O)C3)nn21 ZINC001028969207 662694736 /nfs/dbraw/zinc/69/47/36/662694736.db2.gz CGMKSQLDONNDHT-JTQLQIEISA-N 1 1 317.353 -1.030 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H]3CC[N@@H+](CC(N)=O)C3)nn21 ZINC001028969207 662694737 /nfs/dbraw/zinc/69/47/37/662694737.db2.gz CGMKSQLDONNDHT-JTQLQIEISA-N 1 1 317.353 -1.030 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976519 662694755 /nfs/dbraw/zinc/69/47/55/662694755.db2.gz KJNTUSXDTFOTAL-SNVBAGLBSA-N 1 1 311.386 -1.300 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001028971484 662694764 /nfs/dbraw/zinc/69/47/64/662694764.db2.gz PCQRVXKRWBIPNR-ZYHUDNBSSA-N 1 1 319.365 -1.280 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971282 662694771 /nfs/dbraw/zinc/69/47/71/662694771.db2.gz JKHJQGONZKVQPU-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001028984626 662694785 /nfs/dbraw/zinc/69/47/85/662694785.db2.gz XONCFYYJRYTVOB-SECBINFHSA-N 1 1 307.354 -1.089 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028989974 662694819 /nfs/dbraw/zinc/69/48/19/662694819.db2.gz BGUKCKJPKDLZME-BDAKNGLRSA-N 1 1 304.372 -2.399 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007573 662695062 /nfs/dbraw/zinc/69/50/62/662695062.db2.gz FAPVWHRDZIMBAM-MNOVXSKESA-N 1 1 323.397 -1.090 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011220 662695103 /nfs/dbraw/zinc/69/51/03/662695103.db2.gz GSJXXLWBMHVNJG-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011220 662695105 /nfs/dbraw/zinc/69/51/05/662695105.db2.gz GSJXXLWBMHVNJG-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001029004349 662695177 /nfs/dbraw/zinc/69/51/77/662695177.db2.gz ZYHWLEBMIPJXSK-JTQLQIEISA-N 1 1 310.358 -1.803 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007572 662695254 /nfs/dbraw/zinc/69/52/54/662695254.db2.gz FAPVWHRDZIMBAM-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001067 662695266 /nfs/dbraw/zinc/69/52/66/662695266.db2.gz PCZBNXRFCLBLBX-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003462 662695284 /nfs/dbraw/zinc/69/52/84/662695284.db2.gz IQYVWOYSVJMKEW-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007575 662695333 /nfs/dbraw/zinc/69/53/33/662695333.db2.gz FAPVWHRDZIMBAM-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001029000909 662695351 /nfs/dbraw/zinc/69/53/51/662695351.db2.gz MAFNGSWVZLZLDY-MRVPVSSYSA-N 1 1 309.330 -2.700 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001029000909 662695353 /nfs/dbraw/zinc/69/53/53/662695353.db2.gz MAFNGSWVZLZLDY-MRVPVSSYSA-N 1 1 309.330 -2.700 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003459 662695363 /nfs/dbraw/zinc/69/53/63/662695363.db2.gz IQYVWOYSVJMKEW-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995241 662695380 /nfs/dbraw/zinc/69/53/80/662695380.db2.gz JWZUHDAREAHEDI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001029022913 662695840 /nfs/dbraw/zinc/69/58/40/662695840.db2.gz VVBUYWCAUQGSLT-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001029019547 662695870 /nfs/dbraw/zinc/69/58/70/662695870.db2.gz YPDZOIGLKGEHGQ-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC000983583787 662696127 /nfs/dbraw/zinc/69/61/27/662696127.db2.gz HSLNPGRWMBYQGA-IWSPIJDZSA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC000983589985 662696454 /nfs/dbraw/zinc/69/64/54/662696454.db2.gz LTNKDMMCLGMHFP-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029207042 662697662 /nfs/dbraw/zinc/69/76/62/662697662.db2.gz IUBPQXGYTWZQQJ-TXEJJXNPSA-N 1 1 317.357 -1.360 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029207042 662697664 /nfs/dbraw/zinc/69/76/64/662697664.db2.gz IUBPQXGYTWZQQJ-TXEJJXNPSA-N 1 1 317.357 -1.360 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001029246099 662697984 /nfs/dbraw/zinc/69/79/84/662697984.db2.gz SDTBXBIXMOPDPW-KXUCPTDWSA-N 1 1 308.338 -1.658 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000889761096 662698101 /nfs/dbraw/zinc/69/81/01/662698101.db2.gz JMILDAZRANNZQU-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000937465137 662698252 /nfs/dbraw/zinc/69/82/52/662698252.db2.gz QQDYTVVLUSJLSG-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000937465137 662698253 /nfs/dbraw/zinc/69/82/53/662698253.db2.gz QQDYTVVLUSJLSG-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698500 /nfs/dbraw/zinc/69/85/00/662698500.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 1 1 322.409 -1.119 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254905 662698501 /nfs/dbraw/zinc/69/85/01/662698501.db2.gz GPSIAFBBFHSAKP-XJFOESAGSA-N 1 1 322.409 -1.119 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000984047720 662700751 /nfs/dbraw/zinc/70/07/51/662700751.db2.gz ZDAYWFHFYNZMGS-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000984047720 662700753 /nfs/dbraw/zinc/70/07/53/662700753.db2.gz ZDAYWFHFYNZMGS-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000984047716 662700811 /nfs/dbraw/zinc/70/08/11/662700811.db2.gz ZDAYWFHFYNZMGS-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000984047716 662700813 /nfs/dbraw/zinc/70/08/13/662700813.db2.gz ZDAYWFHFYNZMGS-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC000947802460 662700909 /nfs/dbraw/zinc/70/09/09/662700909.db2.gz ZPBYHESRCMIDJM-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1=O ZINC001029364064 662701127 /nfs/dbraw/zinc/70/11/27/662701127.db2.gz MMUBJLFIMOCSCB-OKILXGFUSA-N 1 1 324.425 -1.182 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C2 ZINC001012314781 662701140 /nfs/dbraw/zinc/70/11/40/662701140.db2.gz WHLUOVOXLQEPAB-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO CC(=O)NCc1nc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(=O)[nH]1 ZINC000984125991 662701399 /nfs/dbraw/zinc/70/13/99/662701399.db2.gz JYXQUZDCLAXTIG-NSHDSACASA-N 1 1 323.353 -1.235 20 0 DAADMO CC(=O)NCc1nc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(=O)[nH]1 ZINC000984125991 662701400 /nfs/dbraw/zinc/70/14/00/662701400.db2.gz JYXQUZDCLAXTIG-NSHDSACASA-N 1 1 323.353 -1.235 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC000984138274 662701484 /nfs/dbraw/zinc/70/14/84/662701484.db2.gz GTDTYAFZNFVICD-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928558331 662701580 /nfs/dbraw/zinc/70/15/80/662701580.db2.gz BDKJYQCUGVOBMU-UWVGGRQHSA-N 1 1 315.399 -1.093 20 0 DAADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2CC[N@H+]2C)cn1C ZINC000928561665 662702060 /nfs/dbraw/zinc/70/20/60/662702060.db2.gz IDFGIWTXBWHCFH-JTQLQIEISA-N 1 1 315.399 -1.173 20 0 DAADMO COCC[N@@H+](C)CCNC(=S)NCCNS(C)(=O)=O ZINC000727086572 662702457 /nfs/dbraw/zinc/70/24/57/662702457.db2.gz LBEMZQRAQJIFOD-UHFFFAOYSA-N 1 1 312.461 -1.422 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=S)NCC(N)=O ZINC000727085534 662702601 /nfs/dbraw/zinc/70/26/01/662702601.db2.gz PFBMSLOTIPFZGD-JTQLQIEISA-N 1 1 315.443 -1.122 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001029418491 662703013 /nfs/dbraw/zinc/70/30/13/662703013.db2.gz JIWMQJTYRZTCEM-AOOOYVTPSA-N 1 1 308.338 -1.233 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029444911 662704176 /nfs/dbraw/zinc/70/41/76/662704176.db2.gz GTIUHIMSKKDQSC-VLEAKVRGSA-N 1 1 307.354 -1.769 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029445658 662704484 /nfs/dbraw/zinc/70/44/84/662704484.db2.gz UQUKVZJCNAHHFD-GRYCIOLGSA-N 1 1 319.369 -1.365 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029445658 662704485 /nfs/dbraw/zinc/70/44/85/662704485.db2.gz UQUKVZJCNAHHFD-GRYCIOLGSA-N 1 1 319.369 -1.365 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587245 662706286 /nfs/dbraw/zinc/70/62/86/662706286.db2.gz UKGLBBLVEYTORN-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587245 662706288 /nfs/dbraw/zinc/70/62/88/662706288.db2.gz UKGLBBLVEYTORN-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587247 662706363 /nfs/dbraw/zinc/70/63/63/662706363.db2.gz UKGLBBLVEYTORN-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587247 662706364 /nfs/dbraw/zinc/70/63/64/662706364.db2.gz UKGLBBLVEYTORN-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000727852945 662706703 /nfs/dbraw/zinc/70/67/03/662706703.db2.gz ANEPEPPNRXRZBR-NWDGAFQWSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCC(=O)NC1 ZINC001038451789 662706782 /nfs/dbraw/zinc/70/67/82/662706782.db2.gz QSDRTNVKTOBQTN-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCC(=O)NC1 ZINC001038451789 662706785 /nfs/dbraw/zinc/70/67/85/662706785.db2.gz QSDRTNVKTOBQTN-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)CC1 ZINC000896237986 662706889 /nfs/dbraw/zinc/70/68/89/662706889.db2.gz RNBZIHUVMQRCCT-UHFFFAOYSA-N 1 1 307.358 -1.070 20 0 DAADMO C[NH+]1CCN(CC(=O)NC(C)(C)CNS(C)(=O)=O)CC1 ZINC000928861359 662714097 /nfs/dbraw/zinc/71/40/97/662714097.db2.gz UZHAESIRXVGEJR-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO CN1CCN(C(=O)NCCN2CCNC2=O)CC[N@@H+](C)CC1 ZINC000896516490 662707088 /nfs/dbraw/zinc/70/70/88/662707088.db2.gz PYUPFEGNWQYXPT-UHFFFAOYSA-N 1 1 312.418 -1.100 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029495091 662708206 /nfs/dbraw/zinc/70/82/06/662708206.db2.gz ZRGFDNGTVRTIOQ-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000909548693 662708439 /nfs/dbraw/zinc/70/84/39/662708439.db2.gz KFSNTNHTZLZBDB-STQMWFEESA-N 1 1 310.398 -1.404 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC000984934327 662708572 /nfs/dbraw/zinc/70/85/72/662708572.db2.gz IBFXEGWDNLQDAH-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC000984934327 662708573 /nfs/dbraw/zinc/70/85/73/662708573.db2.gz IBFXEGWDNLQDAH-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC000985101260 662709208 /nfs/dbraw/zinc/70/92/08/662709208.db2.gz RESKHZKSXZSLIH-MGCOHNPYSA-N 1 1 305.346 -1.514 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985252809 662709922 /nfs/dbraw/zinc/70/99/22/662709922.db2.gz AHHTWSXKVASPLM-NSHDSACASA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318513 662710298 /nfs/dbraw/zinc/71/02/98/662710298.db2.gz HCIBAYQNRRLXLY-LLVKDONJSA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318513 662710299 /nfs/dbraw/zinc/71/02/99/662710299.db2.gz HCIBAYQNRRLXLY-LLVKDONJSA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985411122 662711085 /nfs/dbraw/zinc/71/10/85/662711085.db2.gz MDTLOQQDYQXGBR-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001029643282 662711157 /nfs/dbraw/zinc/71/11/57/662711157.db2.gz PVSCMXOUKJBDAP-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985432857 662711167 /nfs/dbraw/zinc/71/11/67/662711167.db2.gz IJHBSSLMRISPES-LLVKDONJSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985436276 662711221 /nfs/dbraw/zinc/71/12/21/662711221.db2.gz OAAYMKLHGKPBGU-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC001029641161 662711242 /nfs/dbraw/zinc/71/12/42/662711242.db2.gz CLMBZLSSESBLAF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C1CCN(C(=O)Cn2ncnn2)CC1)[C@H]1CCCNC1=O ZINC000985436515 662711351 /nfs/dbraw/zinc/71/13/51/662711351.db2.gz SHRYYTPGRYBEEA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000985441412 662711370 /nfs/dbraw/zinc/71/13/70/662711370.db2.gz GPWIDVIILHNAAR-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001029737811 662711479 /nfs/dbraw/zinc/71/14/79/662711479.db2.gz PPCHSCWMGFYDAJ-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001029737812 662711537 /nfs/dbraw/zinc/71/15/37/662711537.db2.gz PPCHSCWMGFYDAJ-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCNC1=O ZINC001029737874 662711659 /nfs/dbraw/zinc/71/16/59/662711659.db2.gz QGNYQBNAWBUFGT-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001029737814 662711749 /nfs/dbraw/zinc/71/17/49/662711749.db2.gz PPCHSCWMGFYDAJ-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO Cn1cnc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)cc1=O ZINC000985472943 662711771 /nfs/dbraw/zinc/71/17/71/662711771.db2.gz BNQPKRNNEBMASF-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000985505257 662711828 /nfs/dbraw/zinc/71/18/28/662711828.db2.gz KGOHJCRLDJHCKE-JTQLQIEISA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000985572999 662712472 /nfs/dbraw/zinc/71/24/72/662712472.db2.gz CEKQMOLVQLDHBR-MWLCHTKSSA-N 1 1 311.386 -1.193 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822126 662712582 /nfs/dbraw/zinc/71/25/82/662712582.db2.gz YFISOEWVUYXWGA-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)NC1=O ZINC000985572739 662712589 /nfs/dbraw/zinc/71/25/89/662712589.db2.gz AQLWMSRUONNODM-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822128 662712603 /nfs/dbraw/zinc/71/26/03/662712603.db2.gz YFISOEWVUYXWGA-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCCNC3=O)C2)n1 ZINC001029806991 662712624 /nfs/dbraw/zinc/71/26/24/662712624.db2.gz VVKQHMAJULTEBJ-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001029822127 662712771 /nfs/dbraw/zinc/71/27/71/662712771.db2.gz YFISOEWVUYXWGA-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001029822050 662712881 /nfs/dbraw/zinc/71/28/81/662712881.db2.gz XVSUQAUTQFFTPF-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001029822050 662712882 /nfs/dbraw/zinc/71/28/82/662712882.db2.gz XVSUQAUTQFFTPF-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000985618040 662713170 /nfs/dbraw/zinc/71/31/70/662713170.db2.gz QRRXEAWXTCBVNP-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985617922 662713224 /nfs/dbraw/zinc/71/32/24/662713224.db2.gz ODIZCJPYDDECLQ-GHMZBOCLSA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607642 662713301 /nfs/dbraw/zinc/71/33/01/662713301.db2.gz HLXYUKFFURUGNN-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)n1 ZINC000985584406 662713352 /nfs/dbraw/zinc/71/33/52/662713352.db2.gz BSQRKSUNLCAUHV-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000985705536 662713677 /nfs/dbraw/zinc/71/36/77/662713677.db2.gz XDVURBDWMXXNKV-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000985703510 662713705 /nfs/dbraw/zinc/71/37/05/662713705.db2.gz IQOKMZHNIVTRGT-UHFFFAOYSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000985784054 662714041 /nfs/dbraw/zinc/71/40/41/662714041.db2.gz HRIGTKKOZKSMJI-JTQLQIEISA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000985793876 662714015 /nfs/dbraw/zinc/71/40/15/662714015.db2.gz VWJNHKVDWGRYSD-ZYHUDNBSSA-N 1 1 319.427 -1.018 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)n(C)c1=O ZINC000985811572 662714077 /nfs/dbraw/zinc/71/40/77/662714077.db2.gz RJMBHDKAJNUARY-UHFFFAOYSA-N 1 1 309.370 -1.255 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000985802739 662714101 /nfs/dbraw/zinc/71/41/01/662714101.db2.gz WSWCGJAXDQVFKU-UHFFFAOYSA-N 1 1 323.357 -2.215 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000985782102 662714107 /nfs/dbraw/zinc/71/41/07/662714107.db2.gz RDESKQDZWCWOGS-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000985780658 662714133 /nfs/dbraw/zinc/71/41/33/662714133.db2.gz BXKNTYUBFSCFTR-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000985825556 662714182 /nfs/dbraw/zinc/71/41/82/662714182.db2.gz AUGQEJILHRAKNE-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000985784056 662714316 /nfs/dbraw/zinc/71/43/16/662714316.db2.gz HRIGTKKOZKSMJI-SNVBAGLBSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985939482 662714663 /nfs/dbraw/zinc/71/46/63/662714663.db2.gz CJNMDZRRYOHYKI-DTWKUNHWSA-N 1 1 306.334 -2.024 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCNC1=O ZINC001029874127 662714726 /nfs/dbraw/zinc/71/47/26/662714726.db2.gz GUXKKCXIZCCGQU-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C)[nH]1 ZINC000985959473 662715004 /nfs/dbraw/zinc/71/50/04/662715004.db2.gz RSNXKTOKQYJKRX-WPRPVWTQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cncn1 ZINC000986006952 662715153 /nfs/dbraw/zinc/71/51/53/662715153.db2.gz XOQZPBACRWAFHJ-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986043374 662715514 /nfs/dbraw/zinc/71/55/14/662715514.db2.gz QRSLTTAXCQCROD-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986043376 662715560 /nfs/dbraw/zinc/71/55/60/662715560.db2.gz QRSLTTAXCQCROD-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCOCC1 ZINC000986178275 662715727 /nfs/dbraw/zinc/71/57/27/662715727.db2.gz UAFHNDMAZSXPCN-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCOCC1 ZINC000986178276 662715858 /nfs/dbraw/zinc/71/58/58/662715858.db2.gz UAFHNDMAZSXPCN-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cncn2)C1)[C@H]1CCNC1=O ZINC001029900325 662715938 /nfs/dbraw/zinc/71/59/38/662715938.db2.gz SUYCIIDNSSJPHU-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000986136781 662716079 /nfs/dbraw/zinc/71/60/79/662716079.db2.gz MMHQMQJMUBQVCQ-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986183714 662716207 /nfs/dbraw/zinc/71/62/07/662716207.db2.gz LCRIZLRQNAKWRS-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cn(C)nn1 ZINC000986229823 662716414 /nfs/dbraw/zinc/71/64/14/662716414.db2.gz GPRHZUSGGZWLGI-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC000986657224 662718234 /nfs/dbraw/zinc/71/82/34/662718234.db2.gz PXLTULTXEMFISV-PSASIEDQSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC000986657226 662718626 /nfs/dbraw/zinc/71/86/26/662718626.db2.gz PXLTULTXEMFISV-SCZZXKLOSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986655772 662718685 /nfs/dbraw/zinc/71/86/85/662718685.db2.gz JVRSSSPIFZFXBX-JGVFFNPUSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C(N)=O ZINC000986777363 662718767 /nfs/dbraw/zinc/71/87/67/662718767.db2.gz HILMQXQMURGBPB-RKDXNWHRSA-N 1 1 308.342 -1.627 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986659643 662718823 /nfs/dbraw/zinc/71/88/23/662718823.db2.gz XCSHKIZXNANXGZ-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C(N)=O ZINC000986784224 662719063 /nfs/dbraw/zinc/71/90/63/662719063.db2.gz YAIZVRJUGSADPA-RKDXNWHRSA-N 1 1 309.374 -1.008 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C(N)=O ZINC000986777354 662719084 /nfs/dbraw/zinc/71/90/84/662719084.db2.gz HILMQXQMURGBPB-BDAKNGLRSA-N 1 1 308.342 -1.627 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCC(=O)NC1=O ZINC001029990655 662719653 /nfs/dbraw/zinc/71/96/53/662719653.db2.gz TUXZSAQIOYCHBQ-SNVBAGLBSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCn1cnnn1 ZINC000987249493 662721762 /nfs/dbraw/zinc/72/17/62/662721762.db2.gz PLMDYRIQDZASOE-ZYHUDNBSSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249996 662721990 /nfs/dbraw/zinc/72/19/90/662721990.db2.gz QZVAOFAYWVLCJL-NXEZZACHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cncn1 ZINC000987470974 662722719 /nfs/dbraw/zinc/72/27/19/662722719.db2.gz KFNAWNDQRKCILA-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC000987506683 662722869 /nfs/dbraw/zinc/72/28/69/662722869.db2.gz CYPIRZJLWVHFRD-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC000987506683 662722871 /nfs/dbraw/zinc/72/28/71/662722871.db2.gz CYPIRZJLWVHFRD-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1cnnn1 ZINC000988012979 662723931 /nfs/dbraw/zinc/72/39/31/662723931.db2.gz YQKAJQFBQXQULZ-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cnnn1 ZINC000987990211 662723969 /nfs/dbraw/zinc/72/39/69/662723969.db2.gz DPXLGBFILDVAQX-DTWKUNHWSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000988005648 662724136 /nfs/dbraw/zinc/72/41/36/662724136.db2.gz PQVSRBTULIGESV-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CS(C)(=O)=O ZINC000988213330 662724346 /nfs/dbraw/zinc/72/43/46/662724346.db2.gz CEKKWSQCVYZRAG-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CS(C)(=O)=O ZINC000988214549 662724816 /nfs/dbraw/zinc/72/48/16/662724816.db2.gz FHIVHSXKUDRKEX-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CS(C)(=O)=O ZINC000988213338 662725011 /nfs/dbraw/zinc/72/50/11/662725011.db2.gz CEKKWSQCVYZRAG-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CS(C)(=O)=O ZINC000988284268 662725866 /nfs/dbraw/zinc/72/58/66/662725866.db2.gz WRXDWAIXFWPWIT-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)N[C@@]3(CCOC3)C2=O)CC1 ZINC000925276238 662725906 /nfs/dbraw/zinc/72/59/06/662725906.db2.gz MLIAQZRNATVZAA-CQSZACIVSA-N 1 1 310.354 -1.139 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937656725 662726399 /nfs/dbraw/zinc/72/63/99/662726399.db2.gz AVQXXRAWDYILQD-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654548 662726497 /nfs/dbraw/zinc/72/64/97/662726497.db2.gz OUIVLZBQDCBJIC-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937660796 662727325 /nfs/dbraw/zinc/72/73/25/662727325.db2.gz NBRQATCCRNZPOX-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000897496820 662727964 /nfs/dbraw/zinc/72/79/64/662727964.db2.gz RYFBFSHCTLUIEP-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCOCC1 ZINC000988655275 662729655 /nfs/dbraw/zinc/72/96/55/662729655.db2.gz NXDAVVSRWFPEEJ-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663877 662729675 /nfs/dbraw/zinc/72/96/75/662729675.db2.gz DRUAXILVYGGROZ-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937777535 662730333 /nfs/dbraw/zinc/73/03/33/662730333.db2.gz BIDOAMNCPVTZFM-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937777535 662730335 /nfs/dbraw/zinc/73/03/35/662730335.db2.gz BIDOAMNCPVTZFM-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000937757117 662730380 /nfs/dbraw/zinc/73/03/80/662730380.db2.gz YGBNVIWOKWMXQI-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937778045 662730653 /nfs/dbraw/zinc/73/06/53/662730653.db2.gz BSVNXIDHMKKJLE-QJPTWQEYSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937778045 662730657 /nfs/dbraw/zinc/73/06/57/662730657.db2.gz BSVNXIDHMKKJLE-QJPTWQEYSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000937780548 662730849 /nfs/dbraw/zinc/73/08/49/662730849.db2.gz VVDIMQASCVSGMD-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000937780548 662730852 /nfs/dbraw/zinc/73/08/52/662730852.db2.gz VVDIMQASCVSGMD-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937782327 662731540 /nfs/dbraw/zinc/73/15/40/662731540.db2.gz XLSKEYSRUODMKZ-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937782327 662731543 /nfs/dbraw/zinc/73/15/43/662731543.db2.gz XLSKEYSRUODMKZ-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000937849644 662732266 /nfs/dbraw/zinc/73/22/66/662732266.db2.gz IKWZTKFXOUSWPJ-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937889446 662733159 /nfs/dbraw/zinc/73/31/59/662733159.db2.gz RZMJJWKKLIRWQR-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937889446 662733162 /nfs/dbraw/zinc/73/31/62/662733162.db2.gz RZMJJWKKLIRWQR-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000937983580 662736413 /nfs/dbraw/zinc/73/64/13/662736413.db2.gz HHSWEHZUKNDVPJ-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000937975129 662736432 /nfs/dbraw/zinc/73/64/32/662736432.db2.gz LELMLGCSCNOBLL-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937975100 662736832 /nfs/dbraw/zinc/73/68/32/662736832.db2.gz KUZLUBWKKLDXPL-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938002043 662737597 /nfs/dbraw/zinc/73/75/97/662737597.db2.gz IUOAHGLGYDTLGZ-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938002574 662737606 /nfs/dbraw/zinc/73/76/06/662737606.db2.gz QURDGFVDUUXJQT-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938001531 662737656 /nfs/dbraw/zinc/73/76/56/662737656.db2.gz WPTNLNRATSEKRO-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1ncn(C)n1 ZINC000988783316 662739081 /nfs/dbraw/zinc/73/90/81/662739081.db2.gz IQDMOWVJRIADGY-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000988848036 662739324 /nfs/dbraw/zinc/73/93/24/662739324.db2.gz DASZMGHHBAGFNQ-SCZZXKLOSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1ncnn1 ZINC000988836829 662739396 /nfs/dbraw/zinc/73/93/96/662739396.db2.gz FNTMPBDLBCDGDW-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C(N)=O ZINC000988812313 662739477 /nfs/dbraw/zinc/73/94/77/662739477.db2.gz ZKGPXDGAUIYHAE-SCZZXKLOSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1ncnn1 ZINC000988829580 662739648 /nfs/dbraw/zinc/73/96/48/662739648.db2.gz OOZCIPCTACSOKS-DTWKUNHWSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1ncnn1 ZINC000988825682 662739715 /nfs/dbraw/zinc/73/97/15/662739715.db2.gz DGWNFIHLELBEEE-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1nccn1 ZINC000988883471 662740051 /nfs/dbraw/zinc/74/00/51/662740051.db2.gz CVUMDHOVYUJFQJ-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1nccn1 ZINC000988883470 662740333 /nfs/dbraw/zinc/74/03/33/662740333.db2.gz CVUMDHOVYUJFQJ-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989310142 662743261 /nfs/dbraw/zinc/74/32/61/662743261.db2.gz YTCSKKHXPHDWDS-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989309213 662743473 /nfs/dbraw/zinc/74/34/73/662743473.db2.gz SSUQGVZKGBDYNR-JGVFFNPUSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000989310261 662743556 /nfs/dbraw/zinc/74/35/56/662743556.db2.gz ZRBJNRDARPOFAS-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)c1nnn(C)n1 ZINC000989308928 662743584 /nfs/dbraw/zinc/74/35/84/662743584.db2.gz RGCLZWLHGVHFTN-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C(N)=O ZINC000989385191 662744548 /nfs/dbraw/zinc/74/45/48/662744548.db2.gz RHWWRKLYRBTHFN-IUCAKERBSA-N 1 1 308.342 -1.627 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000897668404 662744977 /nfs/dbraw/zinc/74/49/77/662744977.db2.gz FUUMOSFSSQDGER-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCNC2=O)C[N@H+]1C1CC1 ZINC000898006540 662746449 /nfs/dbraw/zinc/74/64/49/662746449.db2.gz WOBJMTRZSGWOOY-WDEREUQCSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCNC2=O)C1 ZINC000898127677 662746661 /nfs/dbraw/zinc/74/66/61/662746661.db2.gz IEYMEDXSNATHMP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCNC2=O)C[N@H+]1C1CC1 ZINC000898006533 662746683 /nfs/dbraw/zinc/74/66/83/662746683.db2.gz WOBJMTRZSGWOOY-GHMZBOCLSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCNC2=O)C[N@H+]1C1CC1 ZINC000898006538 662747014 /nfs/dbraw/zinc/74/70/14/662747014.db2.gz WOBJMTRZSGWOOY-QWRGUYRKSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[N@@H+](CCCO)CC2)C1=O ZINC000989473486 662747171 /nfs/dbraw/zinc/74/71/71/662747171.db2.gz XDYSALPZKRRWAP-UHFFFAOYSA-N 1 1 312.370 -1.203 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000989477874 662747246 /nfs/dbraw/zinc/74/72/46/662747246.db2.gz NYJUHWZDKTUODI-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[N@H+](CCO)CC1 ZINC000989477332 662747331 /nfs/dbraw/zinc/74/73/31/662747331.db2.gz HDUBGYGYDSERBO-UHFFFAOYSA-N 1 1 306.326 -1.442 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1=O ZINC000898269821 662747544 /nfs/dbraw/zinc/74/75/44/662747544.db2.gz LLDOHFGJCMKIDW-AWEZNQCLSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCn1cnnn1 ZINC000989599652 662749477 /nfs/dbraw/zinc/74/94/77/662749477.db2.gz BMTSSRSBUQOUGP-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CCn1cnnn1 ZINC000989600028 662749572 /nfs/dbraw/zinc/74/95/72/662749572.db2.gz DQXUUENNSCVJRH-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCn1cnnn1 ZINC000989599661 662749810 /nfs/dbraw/zinc/74/98/10/662749810.db2.gz BMTSSRSBUQOUGP-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989631862 662750334 /nfs/dbraw/zinc/75/03/34/662750334.db2.gz DICGNDUTNZZKLS-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989631862 662750338 /nfs/dbraw/zinc/75/03/38/662750338.db2.gz DICGNDUTNZZKLS-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[N@@H+](CCCO)CC2)nn1 ZINC000989738768 662750545 /nfs/dbraw/zinc/75/05/45/662750545.db2.gz JOXCRRHIPFHLJD-UHFFFAOYSA-N 1 1 310.358 -1.706 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)n(C)c1=O ZINC000989752315 662750962 /nfs/dbraw/zinc/75/09/62/662750962.db2.gz JQRVOAZZIKRALY-LLVKDONJSA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n(C)c1=O ZINC000989752315 662750966 /nfs/dbraw/zinc/75/09/66/662750966.db2.gz JQRVOAZZIKRALY-LLVKDONJSA-N 1 1 321.381 -1.240 20 0 DAADMO COC[C@H](C)[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989738816 662751080 /nfs/dbraw/zinc/75/10/80/662751080.db2.gz JZLIHGPQDVGXHR-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989738833 662751255 /nfs/dbraw/zinc/75/12/55/662751255.db2.gz KKGDSSCLXAWIFL-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989806662 662751687 /nfs/dbraw/zinc/75/16/87/662751687.db2.gz JZISCPBJPIYZMW-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989806662 662751688 /nfs/dbraw/zinc/75/16/88/662751688.db2.gz JZISCPBJPIYZMW-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CCn3cncn3)CC2)n1 ZINC000989955397 662752065 /nfs/dbraw/zinc/75/20/65/662752065.db2.gz NLARGJVJFNPYTF-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989938886 662752090 /nfs/dbraw/zinc/75/20/90/662752090.db2.gz HOLRKYPIFDQWCM-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CN3CCCC3=O)CC2)n1 ZINC000989921932 662752118 /nfs/dbraw/zinc/75/21/18/662752118.db2.gz PPXUAOOXPDIVSZ-UHFFFAOYSA-N 1 1 321.385 -1.087 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014445946 662752197 /nfs/dbraw/zinc/75/21/97/662752197.db2.gz DNRTYQOKCTXVCY-MWLCHTKSSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014445946 662752200 /nfs/dbraw/zinc/75/22/00/662752200.db2.gz DNRTYQOKCTXVCY-MWLCHTKSSA-N 1 1 307.358 -1.469 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3COCCO3)CC2)n1 ZINC000989983110 662752372 /nfs/dbraw/zinc/75/23/72/662752372.db2.gz DAZJBTBTOGESQY-NSHDSACASA-N 1 1 310.358 -1.294 20 0 DAADMO O=C(Cn1cnnn1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000990181645 662754991 /nfs/dbraw/zinc/75/49/91/662754991.db2.gz UMGQKJOIFIKZJT-UHFFFAOYSA-N 1 1 323.357 -2.278 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990180702 662755062 /nfs/dbraw/zinc/75/50/62/662755062.db2.gz HWLRRXTWXOJYFR-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990180702 662755064 /nfs/dbraw/zinc/75/50/64/662755064.db2.gz HWLRRXTWXOJYFR-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990189091 662755813 /nfs/dbraw/zinc/75/58/13/662755813.db2.gz QGSKBOHVCZOPOG-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990189091 662755818 /nfs/dbraw/zinc/75/58/18/662755818.db2.gz QGSKBOHVCZOPOG-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990189939 662756071 /nfs/dbraw/zinc/75/60/71/662756071.db2.gz FZPALNBFCKTGIF-GXSJLCMTSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990190040 662756163 /nfs/dbraw/zinc/75/61/63/662756163.db2.gz GVZIPFSRPWHROC-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990189942 662756175 /nfs/dbraw/zinc/75/61/75/662756175.db2.gz FZPALNBFCKTGIF-KOLCDFICSA-N 1 1 307.358 -1.802 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cnn1C ZINC000990252764 662757203 /nfs/dbraw/zinc/75/72/03/662757203.db2.gz SMNBMGVBRCDMBU-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cnn1C ZINC000990252764 662757207 /nfs/dbraw/zinc/75/72/07/662757207.db2.gz SMNBMGVBRCDMBU-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)O1 ZINC000990243022 662757442 /nfs/dbraw/zinc/75/74/42/662757442.db2.gz KEHDTPKMPDAHKD-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)O1 ZINC000990243022 662757444 /nfs/dbraw/zinc/75/74/44/662757444.db2.gz KEHDTPKMPDAHKD-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)C1 ZINC000990277244 662758186 /nfs/dbraw/zinc/75/81/86/662758186.db2.gz VOJQUQZFMKSMQG-NEPJUHHUSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)C1 ZINC000990277244 662758189 /nfs/dbraw/zinc/75/81/89/662758189.db2.gz VOJQUQZFMKSMQG-NEPJUHHUSA-N 1 1 313.354 -1.941 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000990306134 662758653 /nfs/dbraw/zinc/75/86/53/662758653.db2.gz IOCQFPYVOFXQIF-XUJVJEKNSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000990306134 662758657 /nfs/dbraw/zinc/75/86/57/662758657.db2.gz IOCQFPYVOFXQIF-XUJVJEKNSA-N 1 1 310.398 -1.085 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990303829 662758895 /nfs/dbraw/zinc/75/88/95/662758895.db2.gz VBDHUKVMMRTWIU-GFCCVEGCSA-N 1 1 308.338 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990310292 662759462 /nfs/dbraw/zinc/75/94/62/662759462.db2.gz ZBYINDDHUIMVNX-YGRLFVJLSA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnsn3)C2)C1 ZINC000990333800 662759483 /nfs/dbraw/zinc/75/94/83/662759483.db2.gz RVXFJWCWBMQPDB-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnsn3)C2)C1 ZINC000990333800 662759484 /nfs/dbraw/zinc/75/94/84/662759484.db2.gz RVXFJWCWBMQPDB-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000990353575 662760342 /nfs/dbraw/zinc/76/03/42/662760342.db2.gz LXFYHDLPKRRSKO-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000990353575 662760344 /nfs/dbraw/zinc/76/03/44/662760344.db2.gz LXFYHDLPKRRSKO-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cn1nccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990427907 662761371 /nfs/dbraw/zinc/76/13/71/662761371.db2.gz ULUZZXZBOAKAGA-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1nccc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990427907 662761372 /nfs/dbraw/zinc/76/13/72/662761372.db2.gz ULUZZXZBOAKAGA-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000923917644 662762390 /nfs/dbraw/zinc/76/23/90/662762390.db2.gz DKXRHBFCAFZEHL-FZMZJTMJSA-N 1 1 312.370 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3COC(=O)N3)CCC[C@H]12 ZINC000990480101 662762649 /nfs/dbraw/zinc/76/26/49/662762649.db2.gz WNWHJFUFCFKVNS-PKFCDNJMSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000923917652 662762687 /nfs/dbraw/zinc/76/26/87/662762687.db2.gz DKXRHBFCAFZEHL-SMDDNHRTSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1nc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)ccc1=O ZINC000990506582 662763647 /nfs/dbraw/zinc/76/36/47/662763647.db2.gz CTJMNSCHNRCIEL-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990499349 662763709 /nfs/dbraw/zinc/76/37/09/662763709.db2.gz YGXSSOQUMPLYNG-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990499349 662763710 /nfs/dbraw/zinc/76/37/10/662763710.db2.gz YGXSSOQUMPLYNG-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)CC[N@H+]1C ZINC000990497902 662763781 /nfs/dbraw/zinc/76/37/81/662763781.db2.gz LJMWNPCRVGUTMP-YUSALJHKSA-N 1 1 308.382 -1.068 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000990509816 662764047 /nfs/dbraw/zinc/76/40/47/662764047.db2.gz MFNQZGWIKOYFHM-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000990518630 662764438 /nfs/dbraw/zinc/76/44/38/662764438.db2.gz PEAULKCTPJRJLU-CYBMUJFWSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000990512656 662764465 /nfs/dbraw/zinc/76/44/65/662764465.db2.gz AGSGWKRDGBSLOS-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1nn(C)cc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990517206 662764479 /nfs/dbraw/zinc/76/44/79/662764479.db2.gz MCJZBWZQGXNZTA-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1nn(C)cc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990517206 662764480 /nfs/dbraw/zinc/76/44/80/662764480.db2.gz MCJZBWZQGXNZTA-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000990509817 662764484 /nfs/dbraw/zinc/76/44/84/662764484.db2.gz MFNQZGWIKOYFHM-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)n(C)c1=O ZINC000990512365 662764624 /nfs/dbraw/zinc/76/46/24/662764624.db2.gz ZQWGXSNXXBHUFM-LLVKDONJSA-N 1 1 321.381 -1.241 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000990511886 662764702 /nfs/dbraw/zinc/76/47/02/662764702.db2.gz WMIUXHPHDLYRSW-GHMZBOCLSA-N 1 1 309.370 -1.569 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990585004 662766336 /nfs/dbraw/zinc/76/63/36/662766336.db2.gz XOAHBXSPOTYMMB-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990585004 662766341 /nfs/dbraw/zinc/76/63/41/662766341.db2.gz XOAHBXSPOTYMMB-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000990615149 662766667 /nfs/dbraw/zinc/76/66/67/662766667.db2.gz AJROXCQBBKJUFN-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000990615149 662766670 /nfs/dbraw/zinc/76/66/70/662766670.db2.gz AJROXCQBBKJUFN-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CCn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990615122 662766796 /nfs/dbraw/zinc/76/67/96/662766796.db2.gz AGJPICGEHCJVLD-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990615122 662766800 /nfs/dbraw/zinc/76/68/00/662766800.db2.gz AGJPICGEHCJVLD-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1C ZINC000990617476 662767070 /nfs/dbraw/zinc/76/70/70/662767070.db2.gz MTIPIBWRJUSUHO-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC000990617476 662767072 /nfs/dbraw/zinc/76/70/72/662767072.db2.gz MTIPIBWRJUSUHO-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1ccc(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990615319 662767189 /nfs/dbraw/zinc/76/71/89/662767189.db2.gz BYFDVWJQOBRDIE-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1ccc(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990615319 662767190 /nfs/dbraw/zinc/76/71/90/662767190.db2.gz BYFDVWJQOBRDIE-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1ccc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990615321 662767230 /nfs/dbraw/zinc/76/72/30/662767230.db2.gz BYFDVWJQOBRDIE-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1ccc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990615321 662767233 /nfs/dbraw/zinc/76/72/33/662767233.db2.gz BYFDVWJQOBRDIE-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ncccn3)C2)C1 ZINC000990616983 662767272 /nfs/dbraw/zinc/76/72/72/662767272.db2.gz MBAMRVUVLFBCLR-LLVKDONJSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ncccn3)C2)C1 ZINC000990616983 662767275 /nfs/dbraw/zinc/76/72/75/662767275.db2.gz MBAMRVUVLFBCLR-LLVKDONJSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000990617030 662767550 /nfs/dbraw/zinc/76/75/50/662767550.db2.gz KUHCWKYTBADYQH-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000990617030 662767553 /nfs/dbraw/zinc/76/75/53/662767553.db2.gz KUHCWKYTBADYQH-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cccn3)C2)C1 ZINC000990617625 662767599 /nfs/dbraw/zinc/76/75/99/662767599.db2.gz ODXUMUACMXTDSD-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cccn3)C2)C1 ZINC000990617625 662767603 /nfs/dbraw/zinc/76/76/03/662767603.db2.gz ODXUMUACMXTDSD-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3=COCCO3)C2)C1 ZINC000990615323 662767751 /nfs/dbraw/zinc/76/77/51/662767751.db2.gz BZKZZHMSDPALHV-LLVKDONJSA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3=COCCO3)C2)C1 ZINC000990615323 662767752 /nfs/dbraw/zinc/76/77/52/662767752.db2.gz BZKZZHMSDPALHV-LLVKDONJSA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnns3)C2)C1 ZINC000990617693 662767761 /nfs/dbraw/zinc/76/77/61/662767761.db2.gz OXKAOZASQMUVLD-SECBINFHSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnns3)C2)C1 ZINC000990617693 662767762 /nfs/dbraw/zinc/76/77/62/662767762.db2.gz OXKAOZASQMUVLD-SECBINFHSA-N 1 1 311.367 -1.191 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990615597 662767771 /nfs/dbraw/zinc/76/77/71/662767771.db2.gz CZVBXJXEFHEYED-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1nccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990618643 662767803 /nfs/dbraw/zinc/76/78/03/662767803.db2.gz ROYITIREASLJJX-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1nccc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990618643 662767806 /nfs/dbraw/zinc/76/78/06/662767806.db2.gz ROYITIREASLJJX-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3=COCCO3)C2)C1 ZINC000990615324 662767906 /nfs/dbraw/zinc/76/79/06/662767906.db2.gz BZKZZHMSDPALHV-NSHDSACASA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3=COCCO3)C2)C1 ZINC000990615324 662767908 /nfs/dbraw/zinc/76/79/08/662767908.db2.gz BZKZZHMSDPALHV-NSHDSACASA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cncnc3)C2)C1 ZINC000990617713 662767954 /nfs/dbraw/zinc/76/79/54/662767954.db2.gz PCDUFEALELBYLZ-ZDUSSCGKSA-N 1 1 319.365 -1.323 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cncnc3)C2)C1 ZINC000990617713 662767958 /nfs/dbraw/zinc/76/79/58/662767958.db2.gz PCDUFEALELBYLZ-ZDUSSCGKSA-N 1 1 319.365 -1.323 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnsn3)C2)C1 ZINC000990619250 662768145 /nfs/dbraw/zinc/76/81/45/662768145.db2.gz VQLOATLZOXRQOE-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnsn3)C2)C1 ZINC000990619250 662768148 /nfs/dbraw/zinc/76/81/48/662768148.db2.gz VQLOATLZOXRQOE-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnsn3)C2)C1 ZINC000990619249 662768223 /nfs/dbraw/zinc/76/82/23/662768223.db2.gz VQLOATLZOXRQOE-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnsn3)C2)C1 ZINC000990619249 662768226 /nfs/dbraw/zinc/76/82/26/662768226.db2.gz VQLOATLZOXRQOE-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cnn1C ZINC000990619398 662768238 /nfs/dbraw/zinc/76/82/38/662768238.db2.gz WIUGVKAXGZOCFZ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cnn1C ZINC000990619398 662768240 /nfs/dbraw/zinc/76/82/40/662768240.db2.gz WIUGVKAXGZOCFZ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n(C)n1 ZINC000990617989 662768349 /nfs/dbraw/zinc/76/83/49/662768349.db2.gz PVLIBGCAYJGYLS-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n(C)n1 ZINC000990617989 662768351 /nfs/dbraw/zinc/76/83/51/662768351.db2.gz PVLIBGCAYJGYLS-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000990618103 662768534 /nfs/dbraw/zinc/76/85/34/662768534.db2.gz RKLONCIYXGPKJG-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000990618103 662768536 /nfs/dbraw/zinc/76/85/36/662768536.db2.gz RKLONCIYXGPKJG-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000990622977 662768547 /nfs/dbraw/zinc/76/85/47/662768547.db2.gz LDMHIALFRWEXOE-BXUZGUMPSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC000990622977 662768549 /nfs/dbraw/zinc/76/85/49/662768549.db2.gz LDMHIALFRWEXOE-BXUZGUMPSA-N 1 1 315.345 -1.227 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990620415 662768565 /nfs/dbraw/zinc/76/85/65/662768565.db2.gz AWIYPIYVVXGELN-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990620415 662768567 /nfs/dbraw/zinc/76/85/67/662768567.db2.gz AWIYPIYVVXGELN-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990622973 662768594 /nfs/dbraw/zinc/76/85/94/662768594.db2.gz LCPRCAKUTJGMQG-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990622973 662768597 /nfs/dbraw/zinc/76/85/97/662768597.db2.gz LCPRCAKUTJGMQG-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990632148 662768733 /nfs/dbraw/zinc/76/87/33/662768733.db2.gz RMBNLJIFKPMBJW-AAEUAGOBSA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000990630952 662768797 /nfs/dbraw/zinc/76/87/97/662768797.db2.gz NYVUYTBNZXENNG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000990630952 662768798 /nfs/dbraw/zinc/76/87/98/662768798.db2.gz NYVUYTBNZXENNG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC000990629924 662768862 /nfs/dbraw/zinc/76/88/62/662768862.db2.gz LAFYMBMOUJNADE-JTQLQIEISA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC000990629924 662768865 /nfs/dbraw/zinc/76/88/65/662768865.db2.gz LAFYMBMOUJNADE-JTQLQIEISA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000990633440 662768938 /nfs/dbraw/zinc/76/89/38/662768938.db2.gz VGSGJNANGYHXIR-SNVBAGLBSA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000990633440 662768941 /nfs/dbraw/zinc/76/89/41/662768941.db2.gz VGSGJNANGYHXIR-SNVBAGLBSA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000990632113 662768974 /nfs/dbraw/zinc/76/89/74/662768974.db2.gz RHULJZIYNLABGN-JTQLQIEISA-N 1 1 311.317 -1.180 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000990632113 662768977 /nfs/dbraw/zinc/76/89/77/662768977.db2.gz RHULJZIYNLABGN-JTQLQIEISA-N 1 1 311.317 -1.180 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccnnc3)C2)C1 ZINC000990633653 662769048 /nfs/dbraw/zinc/76/90/48/662769048.db2.gz WCNGWCHMNQNQHV-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccnnc3)C2)C1 ZINC000990633653 662769049 /nfs/dbraw/zinc/76/90/49/662769049.db2.gz WCNGWCHMNQNQHV-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990634482 662769082 /nfs/dbraw/zinc/76/90/82/662769082.db2.gz YUNCRIVWMWTQJU-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990634482 662769084 /nfs/dbraw/zinc/76/90/84/662769084.db2.gz YUNCRIVWMWTQJU-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000990629886 662769130 /nfs/dbraw/zinc/76/91/30/662769130.db2.gz KRHLOCOCFGIOEW-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000990629886 662769133 /nfs/dbraw/zinc/76/91/33/662769133.db2.gz KRHLOCOCFGIOEW-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000990625351 662769205 /nfs/dbraw/zinc/76/92/05/662769205.db2.gz SDPNYBTVRIBYCL-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000990625351 662769208 /nfs/dbraw/zinc/76/92/08/662769208.db2.gz SDPNYBTVRIBYCL-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3csnn3)C2)C1 ZINC000990624963 662769213 /nfs/dbraw/zinc/76/92/13/662769213.db2.gz ZZPDPMWCKYRLQJ-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3csnn3)C2)C1 ZINC000990624963 662769217 /nfs/dbraw/zinc/76/92/17/662769217.db2.gz ZZPDPMWCKYRLQJ-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000990631908 662769250 /nfs/dbraw/zinc/76/92/50/662769250.db2.gz QKCGFDGTLBBFOP-OUAUKWLOSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000990631908 662769252 /nfs/dbraw/zinc/76/92/52/662769252.db2.gz QKCGFDGTLBBFOP-OUAUKWLOSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC000990629931 662769282 /nfs/dbraw/zinc/76/92/82/662769282.db2.gz LAFYMBMOUJNADE-SNVBAGLBSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C(C)(C)C(N)=O)C2)C1 ZINC000990629931 662769284 /nfs/dbraw/zinc/76/92/84/662769284.db2.gz LAFYMBMOUJNADE-SNVBAGLBSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000990623906 662769305 /nfs/dbraw/zinc/76/93/05/662769305.db2.gz PCECRXCQMCRWFR-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000990623906 662769307 /nfs/dbraw/zinc/76/93/07/662769307.db2.gz PCECRXCQMCRWFR-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000990634480 662769342 /nfs/dbraw/zinc/76/93/42/662769342.db2.gz YUMAPHUSJZYLBX-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000990634480 662769345 /nfs/dbraw/zinc/76/93/45/662769345.db2.gz YUMAPHUSJZYLBX-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000990628956 662769426 /nfs/dbraw/zinc/76/94/26/662769426.db2.gz HLVJTUCRCRNVQT-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000990624239 662769516 /nfs/dbraw/zinc/76/95/16/662769516.db2.gz VKCAOPVUABTFNM-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000990624239 662769519 /nfs/dbraw/zinc/76/95/19/662769519.db2.gz VKCAOPVUABTFNM-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000990633438 662769582 /nfs/dbraw/zinc/76/95/82/662769582.db2.gz VGSGJNANGYHXIR-JTQLQIEISA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000990633438 662769584 /nfs/dbraw/zinc/76/95/84/662769584.db2.gz VGSGJNANGYHXIR-JTQLQIEISA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000990632234 662769631 /nfs/dbraw/zinc/76/96/31/662769631.db2.gz RZKQQFMZDFJWFY-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000990632234 662769632 /nfs/dbraw/zinc/76/96/32/662769632.db2.gz RZKQQFMZDFJWFY-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000990634785 662769729 /nfs/dbraw/zinc/76/97/29/662769729.db2.gz ZMBRJOGYKKNXOF-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000990634785 662769730 /nfs/dbraw/zinc/76/97/30/662769730.db2.gz ZMBRJOGYKKNXOF-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCN1C(=O)CNC1=O ZINC001038114468 662769752 /nfs/dbraw/zinc/76/97/52/662769752.db2.gz FVFOUJUAEROVKO-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990694000 662770370 /nfs/dbraw/zinc/77/03/70/662770370.db2.gz YYWKSIQGZWMGQS-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)O1 ZINC000938183707 662770385 /nfs/dbraw/zinc/77/03/85/662770385.db2.gz OSCJJQZMUKIVRL-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)O1 ZINC000938183707 662770388 /nfs/dbraw/zinc/77/03/88/662770388.db2.gz OSCJJQZMUKIVRL-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990716156 662770649 /nfs/dbraw/zinc/77/06/49/662770649.db2.gz XGMCSSISOXFWBB-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898491996 662771006 /nfs/dbraw/zinc/77/10/06/662771006.db2.gz QCDTZFVZJQVOJJ-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898491996 662771009 /nfs/dbraw/zinc/77/10/09/662771009.db2.gz QCDTZFVZJQVOJJ-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCN1CCNC1=O ZINC000898693695 662771176 /nfs/dbraw/zinc/77/11/76/662771176.db2.gz ZEUIKJKFFKFOFY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCNC1=O)C(C)C ZINC000898700108 662771369 /nfs/dbraw/zinc/77/13/69/662771369.db2.gz ZJVHICZLLBZVCT-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(NN1CCS(=O)(=O)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000899133726 662771655 /nfs/dbraw/zinc/77/16/55/662771655.db2.gz XEGTXYWLSCBFHA-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899055283 662771789 /nfs/dbraw/zinc/77/17/89/662771789.db2.gz KOGZCBMBMXDDHV-UHFFFAOYSA-N 1 1 321.399 -1.509 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899055283 662771792 /nfs/dbraw/zinc/77/17/92/662771792.db2.gz KOGZCBMBMXDDHV-UHFFFAOYSA-N 1 1 321.399 -1.509 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c(=O)o1 ZINC000899065202 662771945 /nfs/dbraw/zinc/77/19/45/662771945.db2.gz BNWHKOFEOJPUHM-UHFFFAOYSA-N 1 1 312.326 -1.290 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c(=O)o1 ZINC000899065202 662771949 /nfs/dbraw/zinc/77/19/49/662771949.db2.gz BNWHKOFEOJPUHM-UHFFFAOYSA-N 1 1 312.326 -1.290 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1=O ZINC000899059790 662771953 /nfs/dbraw/zinc/77/19/53/662771953.db2.gz AXNFVKSKHFSCHT-UHFFFAOYSA-N 1 1 311.342 -1.853 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1=O ZINC000899059790 662771955 /nfs/dbraw/zinc/77/19/55/662771955.db2.gz AXNFVKSKHFSCHT-UHFFFAOYSA-N 1 1 311.342 -1.853 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990795382 662772955 /nfs/dbraw/zinc/77/29/55/662772955.db2.gz HCROFPWVWYZKMO-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990795382 662772958 /nfs/dbraw/zinc/77/29/58/662772958.db2.gz HCROFPWVWYZKMO-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990795381 662773085 /nfs/dbraw/zinc/77/30/85/662773085.db2.gz HCROFPWVWYZKMO-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990795381 662773086 /nfs/dbraw/zinc/77/30/86/662773086.db2.gz HCROFPWVWYZKMO-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)NCC[N@@H+](C)CCO)CC2=O)cn1 ZINC000899741601 662774958 /nfs/dbraw/zinc/77/49/58/662774958.db2.gz RJRLVXYROINCEV-LLVKDONJSA-N 1 1 309.370 -1.187 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643154 662775267 /nfs/dbraw/zinc/77/52/67/662775267.db2.gz KYPQIQPYOVYEAR-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643154 662775269 /nfs/dbraw/zinc/77/52/69/662775269.db2.gz KYPQIQPYOVYEAR-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990811550 662775476 /nfs/dbraw/zinc/77/54/76/662775476.db2.gz NVRZYCQUVBQFON-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[NH+](CCCNC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000899991358 662775625 /nfs/dbraw/zinc/77/56/25/662775625.db2.gz JSCYSXKBWUAFEB-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899968644 662775842 /nfs/dbraw/zinc/77/58/42/662775842.db2.gz HUBPCRBGLMQTFB-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899978170 662775895 /nfs/dbraw/zinc/77/58/95/662775895.db2.gz VPCVAUYEDXCRCB-WFASDCNBSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000900033157 662776394 /nfs/dbraw/zinc/77/63/94/662776394.db2.gz NDIPPRNLMBXEIC-ZYHUDNBSSA-N 1 1 305.400 -1.455 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900429486 662777165 /nfs/dbraw/zinc/77/71/65/662777165.db2.gz LNOXNBRSYXFRIS-JQWIXIFHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900429486 662777169 /nfs/dbraw/zinc/77/71/69/662777169.db2.gz LNOXNBRSYXFRIS-JQWIXIFHSA-N 1 1 307.416 -1.115 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000900442261 662777384 /nfs/dbraw/zinc/77/73/84/662777384.db2.gz OYWZWSYIVQLHQW-NEPJUHHUSA-N 1 1 317.411 -1.143 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900448659 662777410 /nfs/dbraw/zinc/77/74/10/662777410.db2.gz MIUZNNJCMJTFIP-DGCLKSJQSA-N 1 1 319.427 -1.065 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000900442262 662777492 /nfs/dbraw/zinc/77/74/92/662777492.db2.gz OYWZWSYIVQLHQW-NWDGAFQWSA-N 1 1 317.411 -1.143 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000900442264 662777698 /nfs/dbraw/zinc/77/76/98/662777698.db2.gz OYWZWSYIVQLHQW-VXGBXAGGSA-N 1 1 317.411 -1.143 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000900647504 662778516 /nfs/dbraw/zinc/77/85/16/662778516.db2.gz VYOADMVZWBRRDT-JOYOIKCWSA-N 1 1 307.416 -1.115 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900697408 662778580 /nfs/dbraw/zinc/77/85/80/662778580.db2.gz AIGKOCGEKBYZDE-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900697408 662778583 /nfs/dbraw/zinc/77/85/83/662778583.db2.gz AIGKOCGEKBYZDE-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900697408 662778585 /nfs/dbraw/zinc/77/85/85/662778585.db2.gz AIGKOCGEKBYZDE-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3nnc[nH]3)CC2)CC1 ZINC000900614533 662778591 /nfs/dbraw/zinc/77/85/91/662778591.db2.gz HAZJEXRHKXMFFB-UHFFFAOYSA-N 1 1 321.385 -1.141 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675325 662778612 /nfs/dbraw/zinc/77/86/12/662778612.db2.gz QUNSWAHGISICAB-CYBMUJFWSA-N 1 1 323.441 -1.297 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675325 662778614 /nfs/dbraw/zinc/77/86/14/662778614.db2.gz QUNSWAHGISICAB-CYBMUJFWSA-N 1 1 323.441 -1.297 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1CCNC(=O)C1 ZINC000900647030 662778641 /nfs/dbraw/zinc/77/86/41/662778641.db2.gz LRZXZZMTNQMUJP-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(N)=O)CC2)CC1 ZINC000900614528 662778678 /nfs/dbraw/zinc/77/86/78/662778678.db2.gz GXTYKCQVMPGYKA-NWDGAFQWSA-N 1 1 323.397 -1.381 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900659102 662778797 /nfs/dbraw/zinc/77/87/97/662778797.db2.gz LZQDMSSUMPNMOV-NSHDSACASA-N 1 1 304.416 -1.760 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900706643 662778961 /nfs/dbraw/zinc/77/89/61/662778961.db2.gz IZOHULHFBGMAKA-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900706643 662778965 /nfs/dbraw/zinc/77/89/65/662778965.db2.gz IZOHULHFBGMAKA-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000900742773 662779207 /nfs/dbraw/zinc/77/92/07/662779207.db2.gz VBMXGKDWZAKNDZ-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1COC(=O)N1 ZINC000900731152 662779463 /nfs/dbraw/zinc/77/94/63/662779463.db2.gz CFMUBFKRVQEHHT-NWDGAFQWSA-N 1 1 312.370 -1.383 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N(CCO)CCN1CCOCC1 ZINC000901143789 662780886 /nfs/dbraw/zinc/78/08/86/662780886.db2.gz RFVICCRKNUJZAR-HIFRSBDPSA-N 1 1 315.414 -1.405 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000901192010 662780997 /nfs/dbraw/zinc/78/09/97/662780997.db2.gz CZACGDUAXCVGEA-NTZNESFSSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000901105622 662781067 /nfs/dbraw/zinc/78/10/67/662781067.db2.gz HZNDKZNEQHTNAL-NWDGAFQWSA-N 1 1 313.398 -1.117 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901176306 662781135 /nfs/dbraw/zinc/78/11/35/662781135.db2.gz TVKSOYWYNVCCKO-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000901309389 662781551 /nfs/dbraw/zinc/78/15/51/662781551.db2.gz WAEIKIJFKKMCOC-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000901309389 662781555 /nfs/dbraw/zinc/78/15/55/662781555.db2.gz WAEIKIJFKKMCOC-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990902709 662782263 /nfs/dbraw/zinc/78/22/63/662782263.db2.gz HNXODRFPELOSIB-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990907083 662783087 /nfs/dbraw/zinc/78/30/87/662783087.db2.gz WTRXXPIOFXVURM-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990911421 662783565 /nfs/dbraw/zinc/78/35/65/662783565.db2.gz UJKQJACZKZMEGB-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000990919884 662784378 /nfs/dbraw/zinc/78/43/78/662784378.db2.gz HFNKIDYOAMNQJS-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2COCCN2C)C1 ZINC000990922052 662784462 /nfs/dbraw/zinc/78/44/62/662784462.db2.gz IAVSKPQVZDOZFK-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3COCCN3C)C2)CC[N@H+]1C ZINC000990921533 662784542 /nfs/dbraw/zinc/78/45/42/662784542.db2.gz HLYJOZBIHUQPMB-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)CN2CN=NC2=O)C1)C1CCC1 ZINC000990942430 662785412 /nfs/dbraw/zinc/78/54/12/662785412.db2.gz AYURHEDYSLYYPK-UHFFFAOYSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940370 662785740 /nfs/dbraw/zinc/78/57/40/662785740.db2.gz YSVDCFLIIPVDLF-JTQLQIEISA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940370 662785743 /nfs/dbraw/zinc/78/57/43/662785743.db2.gz YSVDCFLIIPVDLF-JTQLQIEISA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990940190 662785750 /nfs/dbraw/zinc/78/57/50/662785750.db2.gz WEMPWSDRGBJQKB-SNVBAGLBSA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990942852 662786061 /nfs/dbraw/zinc/78/60/61/662786061.db2.gz MTWPBPZLPTZCKK-VIFPVBQESA-N 1 1 308.342 -1.738 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1N ZINC000990961403 662787710 /nfs/dbraw/zinc/78/77/10/662787710.db2.gz KTGLROUGTHYGPI-VIFPVBQESA-N 1 1 306.370 -1.105 20 0 DAADMO CN1C(=O)C(=O)N(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000902643186 662789191 /nfs/dbraw/zinc/78/91/91/662789191.db2.gz KNYNKZQOPUILSN-QWRGUYRKSA-N 1 1 310.354 -1.105 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)n1 ZINC000991012203 662789555 /nfs/dbraw/zinc/78/95/55/662789555.db2.gz CBYSBJCCZKBPGM-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC000903597715 662790152 /nfs/dbraw/zinc/79/01/52/662790152.db2.gz DCLFLPNQFLQZQT-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@@H]1[NH3+] ZINC000903770613 662790276 /nfs/dbraw/zinc/79/02/76/662790276.db2.gz HMPRSKSWAHQESX-TUAOUCFPSA-N 1 1 310.398 -1.541 20 0 DAADMO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000903784314 662790959 /nfs/dbraw/zinc/79/09/59/662790959.db2.gz FYYWRFWCOZPIKY-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC000991039399 662791393 /nfs/dbraw/zinc/79/13/93/662791393.db2.gz NUSPVYVKWRBNSE-NSHDSACASA-N 1 1 324.337 -1.751 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC000991039399 662791399 /nfs/dbraw/zinc/79/13/99/662791399.db2.gz NUSPVYVKWRBNSE-NSHDSACASA-N 1 1 324.337 -1.751 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000991048091 662791964 /nfs/dbraw/zinc/79/19/64/662791964.db2.gz LXXQOZNQYQQEJT-QMTHXVAHSA-N 1 1 322.409 -1.011 20 0 DAADMO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000905006885 662793296 /nfs/dbraw/zinc/79/32/96/662793296.db2.gz FTAMQKODAAKDKZ-OQMKEHIESA-N 1 1 322.409 -1.396 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C[C@H]1[NH3+] ZINC000904986937 662793614 /nfs/dbraw/zinc/79/36/14/662793614.db2.gz MBDVWKULVQUMPE-AAVRWANBSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904985751 662793719 /nfs/dbraw/zinc/79/37/19/662793719.db2.gz CPMKYAXXTUEGEV-XQQFMLRXSA-N 1 1 312.414 -1.150 20 0 DAADMO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904985404 662793729 /nfs/dbraw/zinc/79/37/29/662793729.db2.gz BCZPUDQAJGAWGA-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C[C@H]1[NH3+] ZINC000904986938 662793796 /nfs/dbraw/zinc/79/37/96/662793796.db2.gz MBDVWKULVQUMPE-MQYQWHSLSA-N 1 1 324.425 -1.150 20 0 DAADMO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000904985813 662793805 /nfs/dbraw/zinc/79/38/05/662793805.db2.gz DPVQTESXUNMPKA-BFHYXJOUSA-N 1 1 324.425 -1.006 20 0 DAADMO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904987256 662793899 /nfs/dbraw/zinc/79/38/99/662793899.db2.gz OBJHUUUHMVWMTK-QWHCGFSZSA-N 1 1 312.414 -1.149 20 0 DAADMO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985814 662793910 /nfs/dbraw/zinc/79/39/10/662793910.db2.gz DPVQTESXUNMPKA-IHRRRGAJSA-N 1 1 324.425 -1.006 20 0 DAADMO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904986064 662793922 /nfs/dbraw/zinc/79/39/22/662793922.db2.gz FMOKXWLEDVZMLE-QWHCGFSZSA-N 1 1 312.414 -1.149 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000905017761 662793948 /nfs/dbraw/zinc/79/39/48/662793948.db2.gz WFONZFYIRUPUCI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904989700 662793965 /nfs/dbraw/zinc/79/39/65/662793965.db2.gz NJBCYYRYFIUQLN-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989700 662793967 /nfs/dbraw/zinc/79/39/67/662793967.db2.gz NJBCYYRYFIUQLN-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000905021396 662794241 /nfs/dbraw/zinc/79/42/41/662794241.db2.gz KHULOWLKQZNIRQ-HEHGZKQESA-N 1 1 324.425 -1.157 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000905021396 662794244 /nfs/dbraw/zinc/79/42/44/662794244.db2.gz KHULOWLKQZNIRQ-HEHGZKQESA-N 1 1 324.425 -1.157 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000905023726 662794346 /nfs/dbraw/zinc/79/43/46/662794346.db2.gz URBSSEIWHIYQET-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000905023726 662794348 /nfs/dbraw/zinc/79/43/48/662794348.db2.gz URBSSEIWHIYQET-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO O=S(=O)(CCCN1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000905360485 662795116 /nfs/dbraw/zinc/79/51/16/662795116.db2.gz BOGMEOOZGJAMCU-LBPRGKRZSA-N 1 1 307.416 -1.384 20 0 DAADMO O=S(=O)(C1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345172 662795129 /nfs/dbraw/zinc/79/51/29/662795129.db2.gz MYDWVDODTZPMTL-UHFFFAOYSA-N 1 1 309.413 -1.602 20 0 DAADMO O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000905344144 662795234 /nfs/dbraw/zinc/79/52/34/662795234.db2.gz APADEKUYDVNTGR-UHFFFAOYSA-N 1 1 318.399 -1.642 20 0 DAADMO O=C(CNS(=O)(=O)CC1CC[NH2+]CC1)N1CCNCC1 ZINC000905329288 662795279 /nfs/dbraw/zinc/79/52/79/662795279.db2.gz KTOLNKYWXUETFL-UHFFFAOYSA-N 1 1 304.416 -1.663 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000905350097 662795337 /nfs/dbraw/zinc/79/53/37/662795337.db2.gz AWWDPBLJOCOVTN-UHFFFAOYSA-N 1 1 312.414 -1.203 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)CO)C1 ZINC000905398711 662795412 /nfs/dbraw/zinc/79/54/12/662795412.db2.gz YVZSRUQACTXXAQ-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cncnc3)C2)C1 ZINC000991069479 662795720 /nfs/dbraw/zinc/79/57/20/662795720.db2.gz CEXHHJTZCCHBTK-ZDUSSCGKSA-N 1 1 319.365 -1.323 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cncnc3)C2)C1 ZINC000991069479 662795721 /nfs/dbraw/zinc/79/57/21/662795721.db2.gz CEXHHJTZCCHBTK-ZDUSSCGKSA-N 1 1 319.365 -1.323 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991069947 662795734 /nfs/dbraw/zinc/79/57/34/662795734.db2.gz SFPUHGJOPJVTMJ-NHYWBVRUSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@H]12 ZINC000991069947 662795735 /nfs/dbraw/zinc/79/57/35/662795735.db2.gz SFPUHGJOPJVTMJ-NHYWBVRUSA-N 1 1 324.381 -1.556 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000906749412 662796238 /nfs/dbraw/zinc/79/62/38/662796238.db2.gz KJLSAOXNZOEZIE-GFCCVEGCSA-N 1 1 318.443 -1.241 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 ZINC000906471529 662796314 /nfs/dbraw/zinc/79/63/14/662796314.db2.gz UXFQNGBLWKDJQI-GFCCVEGCSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCCN2C(=O)CNC2=O)C1 ZINC000906619437 662796341 /nfs/dbraw/zinc/79/63/41/662796341.db2.gz VFZDURYCUZQEJW-UHFFFAOYSA-N 1 1 311.386 -1.462 20 0 DAADMO CCOC(=O)[C@](C)(O)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907368341 662797347 /nfs/dbraw/zinc/79/73/47/662797347.db2.gz NMAREXLIMZXBMC-CQSZACIVSA-N 1 1 301.387 -1.090 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907102852 662797150 /nfs/dbraw/zinc/79/71/50/662797150.db2.gz YHXPLWOJHLCWHF-GFCCVEGCSA-N 1 1 318.443 -1.370 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000907605199 662797933 /nfs/dbraw/zinc/79/79/33/662797933.db2.gz SYHDWFKRTQXGQJ-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H](CO)CN1CCOCC1 ZINC000907976075 662799195 /nfs/dbraw/zinc/79/91/95/662799195.db2.gz RSEQHVWGERDJOK-BZPMIXESSA-N 1 1 301.387 -1.749 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000908028441 662799318 /nfs/dbraw/zinc/79/93/18/662799318.db2.gz NRWJTUWCOLXCDC-ZYHUDNBSSA-N 1 1 320.415 -1.950 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000908038409 662799875 /nfs/dbraw/zinc/79/98/75/662799875.db2.gz JYMGJTOVTKDWDC-UHFFFAOYSA-N 1 1 318.443 -1.324 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000991098412 662799980 /nfs/dbraw/zinc/79/99/80/662799980.db2.gz AJZIBDBKDHJCOF-IMSIIYSGSA-N 1 1 310.354 -1.310 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)C1 ZINC000991106500 662800294 /nfs/dbraw/zinc/80/02/94/662800294.db2.gz VYQASLPETNHNHR-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)C1 ZINC000991106500 662800295 /nfs/dbraw/zinc/80/02/95/662800295.db2.gz VYQASLPETNHNHR-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991108970 662800302 /nfs/dbraw/zinc/80/03/02/662800302.db2.gz CHYNUUQJVJDNEX-UWVGGRQHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991108970 662800303 /nfs/dbraw/zinc/80/03/03/662800303.db2.gz CHYNUUQJVJDNEX-UWVGGRQHSA-N 1 1 312.326 -2.248 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991107496 662800661 /nfs/dbraw/zinc/80/06/61/662800661.db2.gz IUQOTUJCZILGNG-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991111232 662800738 /nfs/dbraw/zinc/80/07/38/662800738.db2.gz NTPCIWDPRWDFDT-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO Cn1cnc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)cc1=O ZINC000991116155 662801007 /nfs/dbraw/zinc/80/10/07/662801007.db2.gz IUGWVCOVYIXNQO-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cnc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)cc1=O ZINC000991116155 662801008 /nfs/dbraw/zinc/80/10/08/662801008.db2.gz IUGWVCOVYIXNQO-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991120359 662801621 /nfs/dbraw/zinc/80/16/21/662801621.db2.gz JMMRFEQJUSHLHE-SNVBAGLBSA-N 1 1 307.310 -1.373 20 0 DAADMO O=C(NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)[C@H]1COC(=O)N1 ZINC000991120044 662801633 /nfs/dbraw/zinc/80/16/33/662801633.db2.gz WWIJAURBXFDIFX-ABAIWWIYSA-N 1 1 322.365 -1.092 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)CC[N@H+]1C ZINC000991119486 662801689 /nfs/dbraw/zinc/80/16/89/662801689.db2.gz HNDINRBSSDUCEL-IEBDPFPHSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991120405 662801754 /nfs/dbraw/zinc/80/17/54/662801754.db2.gz AWGBSRACFUOVBU-SNVBAGLBSA-N 1 1 307.310 -1.373 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991124776 662801864 /nfs/dbraw/zinc/80/18/64/662801864.db2.gz JTZCTMPHXKNSHY-KOLCDFICSA-N 1 1 310.354 -1.236 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1OCCN(C)C1=O ZINC000908240286 662802625 /nfs/dbraw/zinc/80/26/25/662802625.db2.gz SQVRMRIFUPGFRQ-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(CCCNC(=O)[C@H]1OCCN(C)C1=O)CC[NH+](C)C ZINC000908240286 662802626 /nfs/dbraw/zinc/80/26/26/662802626.db2.gz SQVRMRIFUPGFRQ-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000991172778 663126606 /nfs/dbraw/zinc/12/66/06/663126606.db2.gz OHUGESXBYVZDNS-UHFFFAOYSA-N 1 1 322.369 -1.522 20 0 DAADMO CCn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991183026 663126828 /nfs/dbraw/zinc/12/68/28/663126828.db2.gz HQVVWFYPBNNPDP-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991183026 663126830 /nfs/dbraw/zinc/12/68/30/663126830.db2.gz HQVVWFYPBNNPDP-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO O=C(OCC[NH+]1CCCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000910174458 663128633 /nfs/dbraw/zinc/12/86/33/663128633.db2.gz DZEQFMAMAUCBTR-JTQLQIEISA-N 1 1 304.368 -1.071 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000910519866 663130168 /nfs/dbraw/zinc/13/01/68/663130168.db2.gz NNZQXMYGLGOHNA-UHFFFAOYSA-N 1 1 305.400 -1.012 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1(C)C ZINC000910605172 663130352 /nfs/dbraw/zinc/13/03/52/663130352.db2.gz VDYMUABQJUMBSH-JTQLQIEISA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1(C)C ZINC000910605172 663130357 /nfs/dbraw/zinc/13/03/57/663130357.db2.gz VDYMUABQJUMBSH-JTQLQIEISA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910614671 663130695 /nfs/dbraw/zinc/13/06/95/663130695.db2.gz YEXHQJZAZCUULE-XHDPSFHLSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910603627 663130718 /nfs/dbraw/zinc/13/07/18/663130718.db2.gz FXDWSUMFTBZNPS-JRPNMDOOSA-N 1 1 308.382 -1.257 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000910652910 663131281 /nfs/dbraw/zinc/13/12/81/663131281.db2.gz SBIYUZVUOXCQDE-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000910652910 663131282 /nfs/dbraw/zinc/13/12/82/663131282.db2.gz SBIYUZVUOXCQDE-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000910687537 663131807 /nfs/dbraw/zinc/13/18/07/663131807.db2.gz LJPMKSYHVLEAJJ-SDDRHHMPSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000910687537 663131809 /nfs/dbraw/zinc/13/18/09/663131809.db2.gz LJPMKSYHVLEAJJ-SDDRHHMPSA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)C[C@]2(C)C1 ZINC000910720775 663132044 /nfs/dbraw/zinc/13/20/44/663132044.db2.gz FSNQLNJNWVFJNF-FJJYHAOUSA-N 1 1 311.382 -1.792 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910734002 663132354 /nfs/dbraw/zinc/13/23/54/663132354.db2.gz YZWXIQQBMAINTC-SWLSCSKDSA-N 1 1 310.398 -1.009 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910922963 663134403 /nfs/dbraw/zinc/13/44/03/663134403.db2.gz IEGTTZLLWLGNAV-ZIAGYGMSSA-N 1 1 324.425 -1.182 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910927936 663134431 /nfs/dbraw/zinc/13/44/31/663134431.db2.gz XCINUUHREYJTSD-NEPJUHHUSA-N 1 1 324.381 -1.998 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C[N@@H+]1CCO ZINC000910929024 663134742 /nfs/dbraw/zinc/13/47/42/663134742.db2.gz SVQYQCCBQSEGAO-MNOVXSKESA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C[N@H+]1CCO ZINC000910929024 663134743 /nfs/dbraw/zinc/13/47/43/663134743.db2.gz SVQYQCCBQSEGAO-MNOVXSKESA-N 1 1 319.427 -1.209 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910922953 663134969 /nfs/dbraw/zinc/13/49/69/663134969.db2.gz IEGTTZLLWLGNAV-KBPBESRZSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910921001 663135011 /nfs/dbraw/zinc/13/50/11/663135011.db2.gz BYSKRHLSEMMUFM-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911032380 663135833 /nfs/dbraw/zinc/13/58/33/663135833.db2.gz UDLBDCVKTUXHEX-NWDGAFQWSA-N 1 1 311.430 -1.456 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C[C@H]1C[NH3+] ZINC000911031342 663135839 /nfs/dbraw/zinc/13/58/39/663135839.db2.gz POMUUQZIDNLGDW-JHJVBQTASA-N 1 1 311.430 -1.598 20 0 DAADMO C[NH2+]CCN(C(=O)C(=O)NC[C@H]1CN(C)CCN1C)C(C)C ZINC000911030876 663136016 /nfs/dbraw/zinc/13/60/16/663136016.db2.gz MROQHXHUZJECCX-ZDUSSCGKSA-N 1 1 313.446 -1.195 20 0 DAADMO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000911071925 663136222 /nfs/dbraw/zinc/13/62/22/663136222.db2.gz DLXWJZYSAUKNCQ-IAQYHMDHSA-N 1 1 310.398 -1.349 20 0 DAADMO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000911071695 663136339 /nfs/dbraw/zinc/13/63/39/663136339.db2.gz CZFKCCONUXYUPQ-ZDUSSCGKSA-N 1 1 323.441 -1.121 20 0 DAADMO Cn1cc(C[C@@H](CO)NC(=O)C2CN(C)CC[N@@H+](C)C2)cn1 ZINC000911101458 663137074 /nfs/dbraw/zinc/13/70/74/663137074.db2.gz HCFHOAMUAUGEPB-AWEZNQCLSA-N 1 1 309.414 -1.067 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911156212 663138083 /nfs/dbraw/zinc/13/80/83/663138083.db2.gz NYEZZHSQZQEUAR-QWHCGFSZSA-N 1 1 312.414 -1.251 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1COC ZINC000911156689 663138106 /nfs/dbraw/zinc/13/81/06/663138106.db2.gz QAOUWUMZMUWBAG-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1COC ZINC000911156689 663138107 /nfs/dbraw/zinc/13/81/07/663138107.db2.gz QAOUWUMZMUWBAG-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911188755 663138767 /nfs/dbraw/zinc/13/87/67/663138767.db2.gz WNZYXMSMPDQCAG-QWRGUYRKSA-N 1 1 300.359 -1.767 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911239630 663139300 /nfs/dbraw/zinc/13/93/00/663139300.db2.gz CZLFWYPXACGWSY-MROQNXINSA-N 1 1 310.398 -1.168 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911239631 663139614 /nfs/dbraw/zinc/13/96/14/663139614.db2.gz CZLFWYPXACGWSY-UMSGYPCISA-N 1 1 310.398 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911275063 663140192 /nfs/dbraw/zinc/14/01/92/663140192.db2.gz UJQODLIBDZVQBK-JHJVBQTASA-N 1 1 310.398 -1.478 20 0 DAADMO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911296686 663141057 /nfs/dbraw/zinc/14/10/57/663141057.db2.gz KEOTYLURSAEZGF-NEPJUHHUSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911282980 663141409 /nfs/dbraw/zinc/14/14/09/663141409.db2.gz FPROWPDVGUUCPL-KBPBESRZSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911327310 663141757 /nfs/dbraw/zinc/14/17/57/663141757.db2.gz UJQODLIBDZVQBK-XQQFMLRXSA-N 1 1 310.398 -1.478 20 0 DAADMO CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911282474 663141982 /nfs/dbraw/zinc/14/19/82/663141982.db2.gz QZZWKCUTDWZGRR-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911348734 663142592 /nfs/dbraw/zinc/14/25/92/663142592.db2.gz REKAZMTVBQZBQU-RFQIPJPRSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911348733 663142612 /nfs/dbraw/zinc/14/26/12/663142612.db2.gz REKAZMTVBQZBQU-REWJHTLYSA-N 1 1 324.425 -1.089 20 0 DAADMO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)C[C@]2(C)C1 ZINC000911345307 663142938 /nfs/dbraw/zinc/14/29/38/663142938.db2.gz ICDKZOJMUAVPLC-XUJVJEKNSA-N 1 1 310.398 -1.499 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)C[C@]2(C)C1 ZINC000911345307 663142939 /nfs/dbraw/zinc/14/29/39/663142939.db2.gz ICDKZOJMUAVPLC-XUJVJEKNSA-N 1 1 310.398 -1.499 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911414742 663143349 /nfs/dbraw/zinc/14/33/49/663143349.db2.gz PFEOBXLMFYUZBL-MXWKQRLJSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911414742 663143351 /nfs/dbraw/zinc/14/33/51/663143351.db2.gz PFEOBXLMFYUZBL-MXWKQRLJSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911414732 663143470 /nfs/dbraw/zinc/14/34/70/663143470.db2.gz PFEOBXLMFYUZBL-GARJFASQSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911414732 663143474 /nfs/dbraw/zinc/14/34/74/663143474.db2.gz PFEOBXLMFYUZBL-GARJFASQSA-N 1 1 314.411 -1.298 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)C[NH+](C)C ZINC000911433624 663144511 /nfs/dbraw/zinc/14/45/11/663144511.db2.gz BUGFDTPPNSZQOC-QJPTWQEYSA-N 1 1 318.393 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC000991327054 663144757 /nfs/dbraw/zinc/14/47/57/663144757.db2.gz NDJMZEURGORSIY-NSHDSACASA-N 1 1 322.365 -1.443 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911471430 663146375 /nfs/dbraw/zinc/14/63/75/663146375.db2.gz UZLLJOUAGBHXEK-NEPJUHHUSA-N 1 1 312.370 -1.813 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CNOC2)C[C@H](C)O1 ZINC000911454920 663146421 /nfs/dbraw/zinc/14/64/21/663146421.db2.gz JUIZKCVPDHTOAO-GRYCIOLGSA-N 1 1 314.386 -1.379 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911470563 663146657 /nfs/dbraw/zinc/14/66/57/663146657.db2.gz WVPYENNEZDOKMB-JTQLQIEISA-N 1 1 300.359 -2.079 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911457108 663147214 /nfs/dbraw/zinc/14/72/14/663147214.db2.gz SXPHOIFEYHQNGM-WOPDTQHZSA-N 1 1 312.370 -1.936 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C[C@H](O)C[NH2+]1 ZINC000911701523 663150712 /nfs/dbraw/zinc/15/07/12/663150712.db2.gz DEVLLCOGJMZSCM-DVOMOZLQSA-N 1 1 324.425 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC000911858981 663151205 /nfs/dbraw/zinc/15/12/05/663151205.db2.gz DMRVPCIRHVGSIG-UHFFFAOYSA-N 1 1 323.415 -1.659 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000911860100 663151390 /nfs/dbraw/zinc/15/13/90/663151390.db2.gz ZQHCEMIUBMVNIT-GFCCVEGCSA-N 1 1 314.386 -1.184 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000911885143 663151610 /nfs/dbraw/zinc/15/16/10/663151610.db2.gz VQLVKYBQIATMGE-CKYFFXLPSA-N 1 1 305.400 -1.408 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884147 663151861 /nfs/dbraw/zinc/15/18/61/663151861.db2.gz PWKOZTAOSIMFSI-LBPRGKRZSA-N 1 1 318.443 -1.370 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884145 663151934 /nfs/dbraw/zinc/15/19/34/663151934.db2.gz PWKOZTAOSIMFSI-GFCCVEGCSA-N 1 1 318.443 -1.370 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000911885145 663151960 /nfs/dbraw/zinc/15/19/60/663151960.db2.gz VQLVKYBQIATMGE-HOSYDEDBSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC[N@H+]1CCN(C(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000911911364 663152101 /nfs/dbraw/zinc/15/21/01/663152101.db2.gz GCNJMCPTBQTZBM-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000912054666 663152781 /nfs/dbraw/zinc/15/27/81/663152781.db2.gz QOCKLMYLAKHILD-FZMZJTMJSA-N 1 1 308.386 -1.081 20 0 DAADMO CC1=C(C(=O)N(C)CC[N@@H+](C)CCO)Cn2nnnc2N1C ZINC000912604640 663153706 /nfs/dbraw/zinc/15/37/06/663153706.db2.gz MEYUROQXCKAMAP-UHFFFAOYSA-N 1 1 309.374 -1.221 20 0 DAADMO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608788 663154058 /nfs/dbraw/zinc/15/40/58/663154058.db2.gz YARILJBATDXYLV-ZYHUDNBSSA-N 1 1 301.387 -1.356 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CO)C1 ZINC000912742828 663154951 /nfs/dbraw/zinc/15/49/51/663154951.db2.gz JFEOAEPOYINTMR-JQWIXIFHSA-N 1 1 307.354 -1.103 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CO)C1 ZINC000912742828 663154953 /nfs/dbraw/zinc/15/49/53/663154953.db2.gz JFEOAEPOYINTMR-JQWIXIFHSA-N 1 1 307.354 -1.103 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739286 663155011 /nfs/dbraw/zinc/15/50/11/663155011.db2.gz VQTJILHIRUKOJF-JTQLQIEISA-N 1 1 308.404 -2.141 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739286 663155014 /nfs/dbraw/zinc/15/50/14/663155014.db2.gz VQTJILHIRUKOJF-JTQLQIEISA-N 1 1 308.404 -2.141 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912747004 663155057 /nfs/dbraw/zinc/15/50/57/663155057.db2.gz XCBKNEOPIPAKBX-LBPRGKRZSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912747004 663155059 /nfs/dbraw/zinc/15/50/59/663155059.db2.gz XCBKNEOPIPAKBX-LBPRGKRZSA-N 1 1 300.403 -1.422 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000912715046 663155186 /nfs/dbraw/zinc/15/51/86/663155186.db2.gz LUQPNTGKJIQANU-QWHCGFSZSA-N 1 1 311.382 -1.099 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3CO)CC2=O)cn1 ZINC000912734683 663155244 /nfs/dbraw/zinc/15/52/44/663155244.db2.gz MJVHNJXHJUXXDV-WCQYABFASA-N 1 1 321.381 -1.092 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3CO)CC2=O)cn1 ZINC000912734683 663155247 /nfs/dbraw/zinc/15/52/47/663155247.db2.gz MJVHNJXHJUXXDV-WCQYABFASA-N 1 1 321.381 -1.092 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CO)C1 ZINC000912742829 663155278 /nfs/dbraw/zinc/15/52/78/663155278.db2.gz JFEOAEPOYINTMR-PWSUYJOCSA-N 1 1 307.354 -1.103 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](CO)C1 ZINC000912742829 663155284 /nfs/dbraw/zinc/15/52/84/663155284.db2.gz JFEOAEPOYINTMR-PWSUYJOCSA-N 1 1 307.354 -1.103 20 0 DAADMO CCO[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCOC1 ZINC000913196847 663156350 /nfs/dbraw/zinc/15/63/50/663156350.db2.gz QWIKMVYBPUFEGS-OBJOEFQTSA-N 1 1 302.371 -1.105 20 0 DAADMO CN1CCN(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC000913185441 663156578 /nfs/dbraw/zinc/15/65/78/663156578.db2.gz LKERTLGOOHVLPU-ZDUSSCGKSA-N 1 1 300.359 -2.773 20 0 DAADMO O=C(CNC(=O)Cc1ccccc1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913191908 663156591 /nfs/dbraw/zinc/15/65/91/663156591.db2.gz QQRSDLZVUKKYQV-INIZCTEOSA-N 1 1 321.377 -1.188 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@]12CCC(=O)N1CCS2 ZINC000913192049 663156597 /nfs/dbraw/zinc/15/65/97/663156597.db2.gz QLKDZOMUFVBDIU-STQMWFEESA-N 1 1 315.395 -1.481 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CNC(=O)c2ccccc21 ZINC000913196561 663156613 /nfs/dbraw/zinc/15/66/13/663156613.db2.gz PWGPOAPFBGASTG-CZUORRHYSA-N 1 1 319.361 -1.019 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(CO)COCC[NH2+]1)N1CCOCC1 ZINC000913184592 663156618 /nfs/dbraw/zinc/15/66/18/663156618.db2.gz FCJMFLCNEVRBBH-CQSZACIVSA-N 1 1 301.387 -1.436 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@]12CCC(=O)N1CCS2 ZINC000913192046 663156631 /nfs/dbraw/zinc/15/66/31/663156631.db2.gz QLKDZOMUFVBDIU-CHWSQXEVSA-N 1 1 315.395 -1.481 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1COCCN1CC(F)F ZINC000913185051 663156675 /nfs/dbraw/zinc/15/66/75/663156675.db2.gz KABTXDQEDJABQZ-ZWNOBZJWSA-N 1 1 323.340 -1.581 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)nc2C1 ZINC000913196251 663156694 /nfs/dbraw/zinc/15/66/94/663156694.db2.gz LCRVENDINXCOHB-NHYWBVRUSA-N 1 1 324.381 -1.075 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1COCCN1CC(F)F ZINC000913185048 663156700 /nfs/dbraw/zinc/15/67/00/663156700.db2.gz KABTXDQEDJABQZ-GWCFXTLKSA-N 1 1 323.340 -1.581 20 0 DAADMO CN1CCN(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC000913185440 663156707 /nfs/dbraw/zinc/15/67/07/663156707.db2.gz LKERTLGOOHVLPU-CYBMUJFWSA-N 1 1 300.359 -2.773 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1(N2CCOCC2)CCC1 ZINC000913184045 663156777 /nfs/dbraw/zinc/15/67/77/663156777.db2.gz YFTZKHRLRIZZRR-CQSZACIVSA-N 1 1 313.398 -1.292 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1(C(=O)NC2CC2)CCC1 ZINC000913188978 663156797 /nfs/dbraw/zinc/15/67/97/663156797.db2.gz OWHSZRSEIIVGBL-AWEZNQCLSA-N 1 1 311.382 -1.098 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186193 663156803 /nfs/dbraw/zinc/15/68/03/663156803.db2.gz AUJTVNVYBIOQBI-AWEZNQCLSA-N 1 1 312.370 -1.117 20 0 DAADMO CCO[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCOC1 ZINC000913196845 663156807 /nfs/dbraw/zinc/15/68/07/663156807.db2.gz QWIKMVYBPUFEGS-DYEKYZERSA-N 1 1 302.371 -1.105 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030029645 663157573 /nfs/dbraw/zinc/15/75/73/663157573.db2.gz KYHNKTSPAKYMGY-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030029645 663157575 /nfs/dbraw/zinc/15/75/75/663157575.db2.gz KYHNKTSPAKYMGY-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547822 663158371 /nfs/dbraw/zinc/15/83/71/663158371.db2.gz XLGSVGUFGVPNEW-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547822 663158372 /nfs/dbraw/zinc/15/83/72/663158372.db2.gz XLGSVGUFGVPNEW-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@H]1CO ZINC000913539645 663158377 /nfs/dbraw/zinc/15/83/77/663158377.db2.gz DGCMYFCIRKNLFB-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)C[C@H]1CO ZINC000913539645 663158378 /nfs/dbraw/zinc/15/83/78/663158378.db2.gz DGCMYFCIRKNLFB-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1CO ZINC000913541545 663158629 /nfs/dbraw/zinc/15/86/29/663158629.db2.gz PCSLGPRVDQFQAR-NSHDSACASA-N 1 1 309.370 -1.484 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@H]1CO ZINC000913541545 663158632 /nfs/dbraw/zinc/15/86/32/663158632.db2.gz PCSLGPRVDQFQAR-NSHDSACASA-N 1 1 309.370 -1.484 20 0 DAADMO COCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991486251 663159256 /nfs/dbraw/zinc/15/92/56/663159256.db2.gz PVXKLXZQXUFKCL-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030031556 663159460 /nfs/dbraw/zinc/15/94/60/663159460.db2.gz STSNTYCSXUKXRG-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030031556 663159462 /nfs/dbraw/zinc/15/94/62/663159462.db2.gz STSNTYCSXUKXRG-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031533 663159683 /nfs/dbraw/zinc/15/96/83/663159683.db2.gz ISEPBFZIIOFTED-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031533 663159684 /nfs/dbraw/zinc/15/96/84/663159684.db2.gz ISEPBFZIIOFTED-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030035025 663161252 /nfs/dbraw/zinc/16/12/52/663161252.db2.gz CHTYCNSRBAYWDC-DCAQKATOSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030035025 663161255 /nfs/dbraw/zinc/16/12/55/663161255.db2.gz CHTYCNSRBAYWDC-DCAQKATOSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC000947324005 663161293 /nfs/dbraw/zinc/16/12/93/663161293.db2.gz ONLMYGMOKVQAKT-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(Cn1cnnn1)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030091377 663164711 /nfs/dbraw/zinc/16/47/11/663164711.db2.gz YONWMMLPVLQNFW-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030160813 663167393 /nfs/dbraw/zinc/16/73/93/663167393.db2.gz HEHRLMBFDVSFNL-NSHDSACASA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CCCN2C(=O)CNC2=O)C1 ZINC001030162080 663167476 /nfs/dbraw/zinc/16/74/76/663167476.db2.gz RPMXXZUCPJMAMF-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CCCN2C(=O)CNC2=O)C1 ZINC001030162078 663167608 /nfs/dbraw/zinc/16/76/08/663167608.db2.gz RPMXXZUCPJMAMF-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@@H](N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030182105 663169460 /nfs/dbraw/zinc/16/94/60/663169460.db2.gz HXQQXMSSDWLQJS-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@@H](N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030182105 663169463 /nfs/dbraw/zinc/16/94/63/663169463.db2.gz HXQQXMSSDWLQJS-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CC(C)n1nnnc1CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030184082 663169719 /nfs/dbraw/zinc/16/97/19/663169719.db2.gz USNTXGCYOZNDOK-GFCCVEGCSA-N 1 1 323.401 -1.115 20 0 DAADMO CC(C)n1nnnc1CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030184082 663169722 /nfs/dbraw/zinc/16/97/22/663169722.db2.gz USNTXGCYOZNDOK-GFCCVEGCSA-N 1 1 323.401 -1.115 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)Nc3ccon3)C2)C1 ZINC001030179876 663169767 /nfs/dbraw/zinc/16/97/67/663169767.db2.gz GKHFSBROFZFPPV-NSHDSACASA-N 1 1 323.353 -1.256 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)Nc3ccon3)C2)C1 ZINC001030179876 663169768 /nfs/dbraw/zinc/16/97/68/663169768.db2.gz GKHFSBROFZFPPV-NSHDSACASA-N 1 1 323.353 -1.256 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991613081 663171292 /nfs/dbraw/zinc/17/12/92/663171292.db2.gz NFDPHYRAMQQQLA-UWVGGRQHSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1O ZINC000991614791 663171498 /nfs/dbraw/zinc/17/14/98/663171498.db2.gz RAQKNUWQWBIZTC-WDEREUQCSA-N 1 1 323.353 -1.855 20 0 DAADMO COCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991612520 663171546 /nfs/dbraw/zinc/17/15/46/663171546.db2.gz LWJAXMKGVMVWBO-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1COC(=O)N1 ZINC001030267014 663173702 /nfs/dbraw/zinc/17/37/02/663173702.db2.gz FQMACFRAPMPVRC-ONGXEEELSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@H]1COC(=O)N1 ZINC001030267013 663173714 /nfs/dbraw/zinc/17/37/14/663173714.db2.gz FQMACFRAPMPVRC-MWLCHTKSSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@H]1COC(=O)N1 ZINC001030267010 663173767 /nfs/dbraw/zinc/17/37/67/663173767.db2.gz FQMACFRAPMPVRC-GXSJLCMTSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(Cn1ncnn1)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030319717 663178641 /nfs/dbraw/zinc/17/86/41/663178641.db2.gz QRZJXLRPGOMJCP-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001030336707 663179880 /nfs/dbraw/zinc/17/98/80/663179880.db2.gz PWOMQYWVAGYYBR-YUSALJHKSA-N 1 1 308.382 -1.068 20 0 DAADMO Cn1nncc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347502 663180762 /nfs/dbraw/zinc/18/07/62/663180762.db2.gz LLQNAKMCCDZSRT-GXTWGEPZSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030349085 663180978 /nfs/dbraw/zinc/18/09/78/663180978.db2.gz ZQGVNAFEIMFNNN-RYUDHWBXSA-N 1 1 321.385 -1.626 20 0 DAADMO Cn1nncc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347510 663181005 /nfs/dbraw/zinc/18/10/05/663181005.db2.gz LLQNAKMCCDZSRT-TZMCWYRMSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1cnnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030349048 663181009 /nfs/dbraw/zinc/18/10/09/663181009.db2.gz ZGNGJMGZOVYAPH-QWHCGFSZSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nncc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347503 663181031 /nfs/dbraw/zinc/18/10/31/663181031.db2.gz LLQNAKMCCDZSRT-JSGCOSHPSA-N 1 1 320.397 -1.021 20 0 DAADMO O=C(CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001030348199 663181043 /nfs/dbraw/zinc/18/10/43/663181043.db2.gz RUPDHPWCUFYDLV-KBPBESRZSA-N 1 1 322.409 -1.118 20 0 DAADMO O=C(NC1CN(CCn2cncn2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030346577 663181084 /nfs/dbraw/zinc/18/10/84/663181084.db2.gz CBQSAXZDPWLLBK-ZIAGYGMSSA-N 1 1 320.397 -1.058 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347603 663181091 /nfs/dbraw/zinc/18/10/91/663181091.db2.gz NGRQONRJQOODCV-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)NC1CC1 ZINC001030347789 663181200 /nfs/dbraw/zinc/18/12/00/663181200.db2.gz PHBREQSXKRPPLA-ZIAGYGMSSA-N 1 1 322.409 -1.071 20 0 DAADMO O=C(Cn1nccn1)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030375645 663182610 /nfs/dbraw/zinc/18/26/10/663182610.db2.gz SRJFBWVGPKTFII-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000991708734 663183892 /nfs/dbraw/zinc/18/38/92/663183892.db2.gz IIGMQTSBWKMSDS-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000991709757 663183948 /nfs/dbraw/zinc/18/39/48/663183948.db2.gz LKQDRQYFMYOHOZ-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991711529 663184389 /nfs/dbraw/zinc/18/43/89/663184389.db2.gz PLKLZCHAAIYUDQ-SECBINFHSA-N 1 1 308.338 -1.129 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000991711290 663184448 /nfs/dbraw/zinc/18/44/48/663184448.db2.gz DIUBJXYLNXTTIF-SECBINFHSA-N 1 1 305.338 -1.338 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000991712998 663184656 /nfs/dbraw/zinc/18/46/56/663184656.db2.gz SOCJYNVYBLBDLI-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001030398470 663185003 /nfs/dbraw/zinc/18/50/03/663185003.db2.gz HYQLIKVJMMZDQR-JTQLQIEISA-N 1 1 310.354 -1.618 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000991716316 663185698 /nfs/dbraw/zinc/18/56/98/663185698.db2.gz CRLGCTDHZLRBKJ-BONVTDFDSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000991716327 663185761 /nfs/dbraw/zinc/18/57/61/663185761.db2.gz CRLGCTDHZLRBKJ-ZUZCIYMTSA-N 1 1 308.382 -1.209 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722551 663186541 /nfs/dbraw/zinc/18/65/41/663186541.db2.gz PIRCJRJQUKBUSU-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000991721122 663186693 /nfs/dbraw/zinc/18/66/93/663186693.db2.gz MJGRFCVLESCPPN-GXSJLCMTSA-N 1 1 309.370 -1.711 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000991721231 663186814 /nfs/dbraw/zinc/18/68/14/663186814.db2.gz MLNKCXYGAHRMBM-NSHDSACASA-N 1 1 324.381 -1.876 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000991724309 663187197 /nfs/dbraw/zinc/18/71/97/663187197.db2.gz UINFDCJYBCRRIH-GHMZBOCLSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000991726759 663188049 /nfs/dbraw/zinc/18/80/49/663188049.db2.gz IEWUNRWNWXQTJQ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cnn(CC(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1=O ZINC000991725371 663188246 /nfs/dbraw/zinc/18/82/46/663188246.db2.gz ZRSYROCWPOTCDJ-SNVBAGLBSA-N 1 1 322.369 -2.140 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000991732579 663190051 /nfs/dbraw/zinc/19/00/51/663190051.db2.gz WDOCXBMJNMXSTN-BMIGLBTASA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991733481 663190416 /nfs/dbraw/zinc/19/04/16/663190416.db2.gz ZNHHHDHNWJXDMG-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000991740858 663192250 /nfs/dbraw/zinc/19/22/50/663192250.db2.gz XKOBOADBRDJYAN-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000991740855 663192286 /nfs/dbraw/zinc/19/22/86/663192286.db2.gz XKOBOADBRDJYAN-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000991752688 663193103 /nfs/dbraw/zinc/19/31/03/663193103.db2.gz HZZPFMVHYNQCGY-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2COCCN2C)C1 ZINC000991752725 663193250 /nfs/dbraw/zinc/19/32/50/663193250.db2.gz IHSGZNFBLGQCIB-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000991760488 663194239 /nfs/dbraw/zinc/19/42/39/663194239.db2.gz AJVKWPCMMXAUCE-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000991758002 663194560 /nfs/dbraw/zinc/19/45/60/663194560.db2.gz YLAIUWXDZXOLGN-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2COCCO2)C1 ZINC000991757935 663194586 /nfs/dbraw/zinc/19/45/86/663194586.db2.gz XUNCENSSYZLEHR-LBPRGKRZSA-N 1 1 308.338 -1.066 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)O1 ZINC001030516678 663199665 /nfs/dbraw/zinc/19/96/65/663199665.db2.gz JJAJNDCGTBZVPL-KGYLQXTDSA-N 1 1 310.398 -1.263 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)O1 ZINC001030516678 663199667 /nfs/dbraw/zinc/19/96/67/663199667.db2.gz JJAJNDCGTBZVPL-KGYLQXTDSA-N 1 1 310.398 -1.263 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1)OC ZINC001030555974 663201050 /nfs/dbraw/zinc/20/10/50/663201050.db2.gz SETVWOFVRVSHMK-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991872538 663203043 /nfs/dbraw/zinc/20/30/43/663203043.db2.gz QHHJFSMUJFYDCM-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991872538 663203049 /nfs/dbraw/zinc/20/30/49/663203049.db2.gz QHHJFSMUJFYDCM-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991870159 663203091 /nfs/dbraw/zinc/20/30/91/663203091.db2.gz WGQFFSZGJPVKCT-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938290872 663204708 /nfs/dbraw/zinc/20/47/08/663204708.db2.gz KERKWNWRYRVWLT-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991880608 663206305 /nfs/dbraw/zinc/20/63/05/663206305.db2.gz ULSHQZFAWMZYLD-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991880606 663206402 /nfs/dbraw/zinc/20/64/02/663206402.db2.gz ULSHQZFAWMZYLD-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1CO ZINC000913556739 663210661 /nfs/dbraw/zinc/21/06/61/663210661.db2.gz JFQVWNIBHZEKLC-IAQYHMDHSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1CO ZINC000913556739 663210665 /nfs/dbraw/zinc/21/06/65/663210665.db2.gz JFQVWNIBHZEKLC-IAQYHMDHSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1CO ZINC000913556740 663210729 /nfs/dbraw/zinc/21/07/29/663210729.db2.gz JFQVWNIBHZEKLC-NHYWBVRUSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1CO ZINC000913556740 663210733 /nfs/dbraw/zinc/21/07/33/663210733.db2.gz JFQVWNIBHZEKLC-NHYWBVRUSA-N 1 1 324.381 -1.158 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)c2=O ZINC000913557233 663211286 /nfs/dbraw/zinc/21/12/86/663211286.db2.gz WQCBVGJSKIDLRK-SNVBAGLBSA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c2=O ZINC000913557233 663211290 /nfs/dbraw/zinc/21/12/90/663211290.db2.gz WQCBVGJSKIDLRK-SNVBAGLBSA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001038094996 663214991 /nfs/dbraw/zinc/21/49/91/663214991.db2.gz IRLMPHKCCGUTAN-GHMZBOCLSA-N 1 1 308.386 -1.107 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)Cn2cnnn2)C1 ZINC000991979799 663215650 /nfs/dbraw/zinc/21/56/50/663215650.db2.gz CKELMZMGHVFQOM-HTAVTVPLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705254 663215955 /nfs/dbraw/zinc/21/59/55/663215955.db2.gz RSVBMQQCQPYTMV-YWGVVOLTSA-N 1 1 322.409 -1.086 20 0 DAADMO O=C(NC1CN([C@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030706018 663216005 /nfs/dbraw/zinc/21/60/05/663216005.db2.gz RSUHJBXHDYQOLX-YWGVVOLTSA-N 1 1 320.393 -1.462 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015007769 663218720 /nfs/dbraw/zinc/21/87/20/663218720.db2.gz HHLQGXWVIGZTMO-ZJUUUORDSA-N 1 1 308.342 -2.339 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015007769 663218722 /nfs/dbraw/zinc/21/87/22/663218722.db2.gz HHLQGXWVIGZTMO-ZJUUUORDSA-N 1 1 308.342 -2.339 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCNC3=O)CCC[C@H]12 ZINC000992072261 663218758 /nfs/dbraw/zinc/21/87/58/663218758.db2.gz ODOPXFHHAGELDH-JRPNMDOOSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000992089009 663219963 /nfs/dbraw/zinc/21/99/63/663219963.db2.gz IZOZHYQMDQQXSN-FBIMIBRVSA-N 1 1 309.370 -1.665 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)CC[N@H+]1C ZINC000992088932 663219975 /nfs/dbraw/zinc/21/99/75/663219975.db2.gz HSTNJFCWMNDOST-ZYHUDNBSSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)CC[N@H+]1C ZINC000992089770 663220631 /nfs/dbraw/zinc/22/06/31/663220631.db2.gz NPXIMASYEZUAFN-MWLCHTKSSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107581 663220824 /nfs/dbraw/zinc/22/08/24/663220824.db2.gz LQNZYOKWPYEYOI-XHDPSFHLSA-N 1 1 323.397 -1.983 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107581 663220826 /nfs/dbraw/zinc/22/08/26/663220826.db2.gz LQNZYOKWPYEYOI-XHDPSFHLSA-N 1 1 323.397 -1.983 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)CC[N@H+]1C ZINC000992089767 663220866 /nfs/dbraw/zinc/22/08/66/663220866.db2.gz NOJTVWFKVZYVHM-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC000992111372 663220993 /nfs/dbraw/zinc/22/09/93/663220993.db2.gz XXCANXQDGNNKON-CZUORRHYSA-N 1 1 324.425 -1.086 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000992112522 663221124 /nfs/dbraw/zinc/22/11/24/663221124.db2.gz DNXRMSZRVNERGD-MOENNCHZSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000992121210 663221154 /nfs/dbraw/zinc/22/11/54/663221154.db2.gz UUKZKLNIHIETBA-MOENNCHZSA-N 1 1 321.385 -1.364 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@@H]2[N@H+]([C@H]2CCNC2=O)CC3)n1 ZINC000992134010 663221750 /nfs/dbraw/zinc/22/17/50/663221750.db2.gz SLCGFZXAWQVYNZ-BHDSKKPTSA-N 1 1 319.369 -1.175 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)NC1=O ZINC000992131928 663221918 /nfs/dbraw/zinc/22/19/18/663221918.db2.gz NNYFSWHCIAUQGL-GPCCPHFNSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC000992131928 663221919 /nfs/dbraw/zinc/22/19/19/663221919.db2.gz NNYFSWHCIAUQGL-GPCCPHFNSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125703 663221939 /nfs/dbraw/zinc/22/19/39/663221939.db2.gz DLZDFQGLAJTPGO-ZIBATOQPSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC000992141583 663222825 /nfs/dbraw/zinc/22/28/25/663222825.db2.gz ICVCWFQHDYMBEV-QMTHXVAHSA-N 1 1 309.370 -1.390 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC000992141582 663222947 /nfs/dbraw/zinc/22/29/47/663222947.db2.gz ICVCWFQHDYMBEV-IINYFYTJSA-N 1 1 309.370 -1.390 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 ZINC000992139939 663223056 /nfs/dbraw/zinc/22/30/56/663223056.db2.gz BCMSRTUJFOLXOK-UEKVPHQBSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@@H]12 ZINC000992146523 663223604 /nfs/dbraw/zinc/22/36/04/663223604.db2.gz KXRHIMAIWCZZPS-QMTHXVAHSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@@H]12 ZINC000992146523 663223610 /nfs/dbraw/zinc/22/36/10/663223610.db2.gz KXRHIMAIWCZZPS-QMTHXVAHSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC000992148866 663223622 /nfs/dbraw/zinc/22/36/22/663223622.db2.gz YYQRTSVAEFOBBZ-OTYXRUKQSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC000992148871 663223756 /nfs/dbraw/zinc/22/37/56/663223756.db2.gz YYQRTSVAEFOBBZ-YMTOWFKASA-N 1 1 323.353 -1.863 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 ZINC000992151310 663223938 /nfs/dbraw/zinc/22/39/38/663223938.db2.gz HNQWNUOFYPUWFX-IMSIIYSGSA-N 1 1 309.370 -1.473 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160488 663224542 /nfs/dbraw/zinc/22/45/42/663224542.db2.gz NTKMBXHFQOPNPY-ABAIWWIYSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160488 663224549 /nfs/dbraw/zinc/22/45/49/663224549.db2.gz NTKMBXHFQOPNPY-ABAIWWIYSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160492 663224633 /nfs/dbraw/zinc/22/46/33/663224633.db2.gz NTKMBXHFQOPNPY-IAQYHMDHSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160492 663224638 /nfs/dbraw/zinc/22/46/38/663224638.db2.gz NTKMBXHFQOPNPY-IAQYHMDHSA-N 1 1 324.381 -1.556 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12 ZINC000992179133 663225157 /nfs/dbraw/zinc/22/51/57/663225157.db2.gz MMNZDEPKELWPEE-RSQPEXBXSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992172296 663225447 /nfs/dbraw/zinc/22/54/47/663225447.db2.gz OIELBEVWAZMCJB-MYQWFSQQSA-N 1 1 324.381 -1.382 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992172296 663225449 /nfs/dbraw/zinc/22/54/49/663225449.db2.gz OIELBEVWAZMCJB-MYQWFSQQSA-N 1 1 324.381 -1.382 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCNC3=O)C2)C1 ZINC001030839576 663226683 /nfs/dbraw/zinc/22/66/83/663226683.db2.gz NWYHPHNHHSIUCT-QWHCGFSZSA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCNC3=O)C2)C1 ZINC001030839576 663226688 /nfs/dbraw/zinc/22/66/88/663226688.db2.gz NWYHPHNHHSIUCT-QWHCGFSZSA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCNC3=O)C2)C1 ZINC001030839577 663226952 /nfs/dbraw/zinc/22/69/52/663226952.db2.gz NWYHPHNHHSIUCT-STQMWFEESA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCNC3=O)C2)C1 ZINC001030839577 663226955 /nfs/dbraw/zinc/22/69/55/663226955.db2.gz NWYHPHNHHSIUCT-STQMWFEESA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N(C)C)C2)C1 ZINC001030839946 663227700 /nfs/dbraw/zinc/22/77/00/663227700.db2.gz VGKBGQZXBXXASK-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N(C)C)C2)C1 ZINC001030839946 663227702 /nfs/dbraw/zinc/22/77/02/663227702.db2.gz VGKBGQZXBXXASK-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO NC(=O)C(=O)NC1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000992275465 663229046 /nfs/dbraw/zinc/22/90/46/663229046.db2.gz OCZPSOLBAIJKGT-NWHVRFAMSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992286215 663229794 /nfs/dbraw/zinc/22/97/94/663229794.db2.gz HENNFQCHPDEDJY-ATEUNZGCSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992286215 663229800 /nfs/dbraw/zinc/22/98/00/663229800.db2.gz HENNFQCHPDEDJY-ATEUNZGCSA-N 1 1 323.353 -1.817 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@H]1CNC(=O)N1 ZINC001030878348 663230240 /nfs/dbraw/zinc/23/02/40/663230240.db2.gz NIXBCYYCHOJJCO-GXSJLCMTSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992313840 663232180 /nfs/dbraw/zinc/23/21/80/663232180.db2.gz AUPVETJYZIDZKZ-HZMBPMFUSA-N 1 1 310.354 -1.356 20 0 DAADMO CN(C(=O)CN1CCOCC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954100541 663232446 /nfs/dbraw/zinc/23/24/46/663232446.db2.gz UVBBBAJKGLPWJS-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000992391522 663234264 /nfs/dbraw/zinc/23/42/64/663234264.db2.gz IJLYMEZQSVVZSC-QJPTWQEYSA-N 1 1 323.397 -1.275 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000992375638 663234315 /nfs/dbraw/zinc/23/43/15/663234315.db2.gz IFDKXNFZYVIMQU-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000992391524 663234549 /nfs/dbraw/zinc/23/45/49/663234549.db2.gz IJLYMEZQSVVZSC-SDDRHHMPSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)C1 ZINC000913775127 663236372 /nfs/dbraw/zinc/23/63/72/663236372.db2.gz ZZGJTXCOHQCUDS-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)C1 ZINC000913775125 663236437 /nfs/dbraw/zinc/23/64/37/663236437.db2.gz ZZGJTXCOHQCUDS-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)nn1 ZINC000992525260 663237316 /nfs/dbraw/zinc/23/73/16/663237316.db2.gz KNEGNAARJMUXSG-BXUZGUMPSA-N 1 1 322.369 -1.518 20 0 DAADMO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@@H]1CCS(=O)(=O)N1 ZINC000992503119 663237638 /nfs/dbraw/zinc/23/76/38/663237638.db2.gz UCAIPYYDWVPCMA-GVXVVHGQSA-N 1 1 317.411 -1.216 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030959522 663238032 /nfs/dbraw/zinc/23/80/32/663238032.db2.gz JUABAKSIENJXMO-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030953356 663238091 /nfs/dbraw/zinc/23/80/91/663238091.db2.gz AHAKRRCFNIBHKA-SNVBAGLBSA-N 1 1 308.386 -1.107 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030961478 663238457 /nfs/dbraw/zinc/23/84/57/663238457.db2.gz WFBKGLOZVTXJEF-ONGXEEELSA-N 1 1 308.386 -1.394 20 0 DAADMO NC(=O)[C@H]1CN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC000914020320 663239832 /nfs/dbraw/zinc/23/98/32/663239832.db2.gz XOEYVXIIHYOATG-YPMHNXCESA-N 1 1 317.411 -1.012 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000992581931 663239963 /nfs/dbraw/zinc/23/99/63/663239963.db2.gz ORWBMJJGSDOILN-SNVBAGLBSA-N 1 1 323.357 -2.129 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000992581931 663239967 /nfs/dbraw/zinc/23/99/67/663239967.db2.gz ORWBMJJGSDOILN-SNVBAGLBSA-N 1 1 323.357 -2.129 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1COC[C@H]1O ZINC000914016650 663240154 /nfs/dbraw/zinc/24/01/54/663240154.db2.gz CCKOIRHQLLXCLX-NNYUYHANSA-N 1 1 306.384 -1.471 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000992581929 663240353 /nfs/dbraw/zinc/24/03/53/663240353.db2.gz ORWBMJJGSDOILN-JTQLQIEISA-N 1 1 323.357 -2.129 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000992581929 663240361 /nfs/dbraw/zinc/24/03/61/663240361.db2.gz ORWBMJJGSDOILN-JTQLQIEISA-N 1 1 323.357 -2.129 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914056225 663240448 /nfs/dbraw/zinc/24/04/48/663240448.db2.gz AAEXTVHBFQWLIP-IJLUTSLNSA-N 1 1 308.400 -1.224 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1COC[C@H]1O ZINC000914016651 663240713 /nfs/dbraw/zinc/24/07/13/663240713.db2.gz CCKOIRHQLLXCLX-WRWGMCAJSA-N 1 1 306.384 -1.471 20 0 DAADMO CCN1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599043 663241063 /nfs/dbraw/zinc/24/10/63/663241063.db2.gz LDTZHEMFWNKURP-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000992597158 663241210 /nfs/dbraw/zinc/24/12/10/663241210.db2.gz FUEWXXFSMKFMPK-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000992597158 663241213 /nfs/dbraw/zinc/24/12/13/663241213.db2.gz FUEWXXFSMKFMPK-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000992599904 663241323 /nfs/dbraw/zinc/24/13/23/663241323.db2.gz OMLLUPRMQGILBZ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000992599904 663241328 /nfs/dbraw/zinc/24/13/28/663241328.db2.gz OMLLUPRMQGILBZ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000992605393 663241522 /nfs/dbraw/zinc/24/15/22/663241522.db2.gz ATJTXTBRYWTUOB-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000992605393 663241525 /nfs/dbraw/zinc/24/15/25/663241525.db2.gz ATJTXTBRYWTUOB-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC000992610696 663241858 /nfs/dbraw/zinc/24/18/58/663241858.db2.gz SDJHDIMTJYBGAL-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC000992610696 663241860 /nfs/dbraw/zinc/24/18/60/663241860.db2.gz SDJHDIMTJYBGAL-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000992612400 663242073 /nfs/dbraw/zinc/24/20/73/663242073.db2.gz ZFTJDZJERPGCDG-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000992612400 663242075 /nfs/dbraw/zinc/24/20/75/663242075.db2.gz ZFTJDZJERPGCDG-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnon3)C2)C1 ZINC000992612503 663242166 /nfs/dbraw/zinc/24/21/66/663242166.db2.gz ZXACIYCPCBOOBA-LLVKDONJSA-N 1 1 309.326 -1.269 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnon3)C2)C1 ZINC000992612503 663242174 /nfs/dbraw/zinc/24/21/74/663242174.db2.gz ZXACIYCPCBOOBA-LLVKDONJSA-N 1 1 309.326 -1.269 20 0 DAADMO O=C(NC1C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031025996 663242728 /nfs/dbraw/zinc/24/27/28/663242728.db2.gz KXXLTKBGDSWPOV-KOLCDFICSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000992691479 663243020 /nfs/dbraw/zinc/24/30/20/663243020.db2.gz WAMZOIVLNDWCIE-ZIBATOQPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](CNS(=O)(=O)[C@@H]1COC[C@H]1O)C[NH+]1CCN(C)CC1 ZINC000914186940 663243168 /nfs/dbraw/zinc/24/31/68/663243168.db2.gz CPPDUNGDSWZXMG-JHJVBQTASA-N 1 1 321.443 -1.451 20 0 DAADMO O=S(=O)([C@@H]1COC[C@H]1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000914227939 663243431 /nfs/dbraw/zinc/24/34/31/663243431.db2.gz FQTQMOZNUXNEFI-JHJVBQTASA-N 1 1 320.411 -1.270 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)ncc1=O ZINC001015326504 663243494 /nfs/dbraw/zinc/24/34/94/663243494.db2.gz ACYKVCFUQVDODJ-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO CC[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1C[C@@H](C)O ZINC000914196769 663243678 /nfs/dbraw/zinc/24/36/78/663243678.db2.gz FRSWSELTNDBSLT-FDYHWXHSSA-N 1 1 322.427 -1.147 20 0 DAADMO CC[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1C[C@@H](C)O ZINC000914196769 663243681 /nfs/dbraw/zinc/24/36/81/663243681.db2.gz FRSWSELTNDBSLT-FDYHWXHSSA-N 1 1 322.427 -1.147 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001031039417 663244011 /nfs/dbraw/zinc/24/40/11/663244011.db2.gz HGINTLNXKPUNNK-SNVBAGLBSA-N 1 1 320.353 -1.274 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC2C[NH+](CCCF)C2)C1=O ZINC001031042146 663244247 /nfs/dbraw/zinc/24/42/47/663244247.db2.gz LLBJYVFLACJVSN-UHFFFAOYSA-N 1 1 300.290 -1.433 20 0 DAADMO COC[C@@H](C)[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031040867 663244256 /nfs/dbraw/zinc/24/42/56/663244256.db2.gz RQXYIXPGFMWNOP-SECBINFHSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914409156 663244832 /nfs/dbraw/zinc/24/48/32/663244832.db2.gz GXIDRVCLBHMXMV-QJPTWQEYSA-N 1 1 322.427 -1.147 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914409156 663244833 /nfs/dbraw/zinc/24/48/33/663244833.db2.gz GXIDRVCLBHMXMV-QJPTWQEYSA-N 1 1 322.427 -1.147 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000914315049 663245292 /nfs/dbraw/zinc/24/52/92/663245292.db2.gz JLXWQLKKMJWWCY-GHMZBOCLSA-N 1 1 317.415 -1.376 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000992934789 663246279 /nfs/dbraw/zinc/24/62/79/663246279.db2.gz NXGQVYXZQWOZAW-XHDPSFHLSA-N 1 1 319.365 -1.016 20 0 DAADMO NC(=O)C1=NO[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000788032013 663253570 /nfs/dbraw/zinc/25/35/70/663253570.db2.gz VJRSNPPINQBZBM-SNVBAGLBSA-N 1 1 313.358 -1.362 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)C[NH+]1CCOCC1 ZINC000929864119 663254996 /nfs/dbraw/zinc/25/49/96/663254996.db2.gz UMFJSBNNXMXPHP-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C)C[NH+]1CCOCC1 ZINC000929864117 663255166 /nfs/dbraw/zinc/25/51/66/663255166.db2.gz UMFJSBNNXMXPHP-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000731834885 663255775 /nfs/dbraw/zinc/25/57/75/663255775.db2.gz GLKDXSKPTREGCR-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)[C@@H]2COC[C@H]2O)[N@@H+](C)C1 ZINC000915453271 663257135 /nfs/dbraw/zinc/25/71/35/663257135.db2.gz ZOHSEISYBXKATN-NNYUYHANSA-N 1 1 308.400 -1.273 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015635819 663257708 /nfs/dbraw/zinc/25/77/08/663257708.db2.gz XILCOGZSQNNSNT-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634529 663257928 /nfs/dbraw/zinc/25/79/28/663257928.db2.gz MEBSWULYZXJROD-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634529 663257930 /nfs/dbraw/zinc/25/79/30/663257930.db2.gz MEBSWULYZXJROD-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015638655 663258706 /nfs/dbraw/zinc/25/87/06/663258706.db2.gz ZRMSKMBQLJUDJZ-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015640478 663259313 /nfs/dbraw/zinc/25/93/13/663259313.db2.gz NZOCESILXDSVCX-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000915616443 663259866 /nfs/dbraw/zinc/25/98/66/663259866.db2.gz XUYFCZDQMQHQQF-UHFFFAOYSA-N 1 1 321.443 -1.247 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993337822 663260646 /nfs/dbraw/zinc/26/06/46/663260646.db2.gz OASCVJRBCAOJKO-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993337832 663260856 /nfs/dbraw/zinc/26/08/56/663260856.db2.gz OASCVJRBCAOJKO-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993337759 663260902 /nfs/dbraw/zinc/26/09/02/663260902.db2.gz BNSUJGVZWDZPLA-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993337759 663260904 /nfs/dbraw/zinc/26/09/04/663260904.db2.gz BNSUJGVZWDZPLA-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCO ZINC000993329979 663261184 /nfs/dbraw/zinc/26/11/84/663261184.db2.gz CWFKXXGSKCLIBI-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCO ZINC000993329989 663261217 /nfs/dbraw/zinc/26/12/17/663261217.db2.gz CWFKXXGSKCLIBI-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001031260549 663263529 /nfs/dbraw/zinc/26/35/29/663263529.db2.gz QUQUBDNUXJRTTM-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031257968 663263568 /nfs/dbraw/zinc/26/35/68/663263568.db2.gz CCBIYSYYSDQEJP-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000915854062 663263595 /nfs/dbraw/zinc/26/35/95/663263595.db2.gz CDJVCMDCCFDVCU-DDHJBXDOSA-N 1 1 308.400 -1.537 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031257966 663263720 /nfs/dbraw/zinc/26/37/20/663263720.db2.gz CCBIYSYYSDQEJP-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993438800 663264330 /nfs/dbraw/zinc/26/43/30/663264330.db2.gz BXTRMGHFNGVONU-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993438800 663264337 /nfs/dbraw/zinc/26/43/37/663264337.db2.gz BXTRMGHFNGVONU-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993438794 663264771 /nfs/dbraw/zinc/26/47/71/663264771.db2.gz BXTRMGHFNGVONU-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993438794 663264772 /nfs/dbraw/zinc/26/47/72/663264772.db2.gz BXTRMGHFNGVONU-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC000993445706 663264982 /nfs/dbraw/zinc/26/49/82/663264982.db2.gz SUFJMVRFMHEWPQ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC000993451487 663265774 /nfs/dbraw/zinc/26/57/74/663265774.db2.gz SUFJMVRFMHEWPQ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993518558 663266511 /nfs/dbraw/zinc/26/65/11/663266511.db2.gz ZJKAHWIUYDXTEH-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993518558 663266517 /nfs/dbraw/zinc/26/65/17/663266517.db2.gz ZJKAHWIUYDXTEH-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993575139 663267002 /nfs/dbraw/zinc/26/70/02/663267002.db2.gz FOCSRVLWTVBRTA-QWRGUYRKSA-N 1 1 310.354 -1.948 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC000993512124 663267191 /nfs/dbraw/zinc/26/71/91/663267191.db2.gz NHYVIWDVNFOTOX-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC000993512124 663267195 /nfs/dbraw/zinc/26/71/95/663267195.db2.gz NHYVIWDVNFOTOX-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCC[N@@H+]1CC(N)=O ZINC000993574415 663267593 /nfs/dbraw/zinc/26/75/93/663267593.db2.gz WVIDRXKGTJDLOQ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCC[N@H+]1CC(N)=O ZINC000993574415 663267596 /nfs/dbraw/zinc/26/75/96/663267596.db2.gz WVIDRXKGTJDLOQ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCC[N@@H+]1CC(N)=O ZINC000993574412 663267677 /nfs/dbraw/zinc/26/76/77/663267677.db2.gz WVIDRXKGTJDLOQ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCC[N@H+]1CC(N)=O ZINC000993574412 663267680 /nfs/dbraw/zinc/26/76/80/663267680.db2.gz WVIDRXKGTJDLOQ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000993732864 663268851 /nfs/dbraw/zinc/26/88/51/663268851.db2.gz PJCMZYCALFUHRI-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000993732864 663268856 /nfs/dbraw/zinc/26/88/56/663268856.db2.gz PJCMZYCALFUHRI-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000993732860 663268997 /nfs/dbraw/zinc/26/89/97/663268997.db2.gz PJCMZYCALFUHRI-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000993732860 663269000 /nfs/dbraw/zinc/26/90/00/663269000.db2.gz PJCMZYCALFUHRI-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000993805677 663271190 /nfs/dbraw/zinc/27/11/90/663271190.db2.gz IDESYHOWYAOKGF-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000993805669 663271235 /nfs/dbraw/zinc/27/12/35/663271235.db2.gz IDESYHOWYAOKGF-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000994000351 663272998 /nfs/dbraw/zinc/27/29/98/663272998.db2.gz VBQSNZGGEALMOM-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994004544 663273661 /nfs/dbraw/zinc/27/36/61/663273661.db2.gz SIDNKRYGCGJVPP-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994004544 663273662 /nfs/dbraw/zinc/27/36/62/663273662.db2.gz SIDNKRYGCGJVPP-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC000994005070 663273899 /nfs/dbraw/zinc/27/38/99/663273899.db2.gz VBQSNZGGEALMOM-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000994064042 663276266 /nfs/dbraw/zinc/27/62/66/663276266.db2.gz RPLNVRDIYQRLOP-SNVBAGLBSA-N 1 1 323.353 -1.305 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000994064042 663276268 /nfs/dbraw/zinc/27/62/68/663276268.db2.gz RPLNVRDIYQRLOP-SNVBAGLBSA-N 1 1 323.353 -1.305 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCC(=O)NC2=O)CCC[N@H+]1CCO ZINC000994163239 663277338 /nfs/dbraw/zinc/27/73/38/663277338.db2.gz DQRKJZNTRIRNEW-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 ZINC000994218170 663278354 /nfs/dbraw/zinc/27/83/54/663278354.db2.gz XQFXLVWDMSFCSF-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCOCC3=O)C2)C1 ZINC000994222227 663278718 /nfs/dbraw/zinc/27/87/18/663278718.db2.gz IJRYFRFVTYMGGR-LLVKDONJSA-N 1 1 324.381 -1.876 20 0 DAADMO O=S(=O)(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1COC[C@H]1O ZINC000916014592 663278898 /nfs/dbraw/zinc/27/88/98/663278898.db2.gz FNZVIIKSKKOATF-IJLUTSLNSA-N 1 1 308.400 -1.488 20 0 DAADMO O=S(=O)(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@@H]1COC[C@H]1O ZINC000916574974 663280717 /nfs/dbraw/zinc/28/07/17/663280717.db2.gz CZRPMHKFMUXAPU-OBPIAQAESA-N 1 1 320.411 -1.347 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)[C@@H]2C)c(=O)n1C ZINC000994328743 663282163 /nfs/dbraw/zinc/28/21/63/663282163.db2.gz MOKKWJFMUJOKKU-ZYHUDNBSSA-N 1 1 311.386 -1.148 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007160155 663282570 /nfs/dbraw/zinc/28/25/70/663282570.db2.gz HSXUNZPVGKQARI-VHSXEESVSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007160155 663282573 /nfs/dbraw/zinc/28/25/73/663282573.db2.gz HSXUNZPVGKQARI-VHSXEESVSA-N 1 1 308.342 -1.547 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160862 663283301 /nfs/dbraw/zinc/28/33/01/663283301.db2.gz KQVHDPLGJROKIG-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160862 663283307 /nfs/dbraw/zinc/28/33/07/663283307.db2.gz KQVHDPLGJROKIG-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCC[N@H+]1CCO ZINC000994366455 663283458 /nfs/dbraw/zinc/28/34/58/663283458.db2.gz RFTHBWQLUSYUNK-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160869 663283613 /nfs/dbraw/zinc/28/36/13/663283613.db2.gz KQVHDPLGJROKIG-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160869 663283616 /nfs/dbraw/zinc/28/36/16/663283616.db2.gz KQVHDPLGJROKIG-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000917066763 663286164 /nfs/dbraw/zinc/28/61/64/663286164.db2.gz PMTKDGKXDYVMSX-IJLUTSLNSA-N 1 1 305.400 -1.945 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000917066763 663286168 /nfs/dbraw/zinc/28/61/68/663286168.db2.gz PMTKDGKXDYVMSX-IJLUTSLNSA-N 1 1 305.400 -1.945 20 0 DAADMO COCCN(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917050093 663286275 /nfs/dbraw/zinc/28/62/75/663286275.db2.gz AAXOJXYSSOVZCY-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO COCCN(C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917050093 663286279 /nfs/dbraw/zinc/28/62/79/663286279.db2.gz AAXOJXYSSOVZCY-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@@H+]2CCN1CCC2)N1CCCOCC1 ZINC000917066975 663286293 /nfs/dbraw/zinc/28/62/93/663286293.db2.gz SPGAARMRTQGXNG-ZDUSSCGKSA-N 1 1 318.443 -1.067 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@H+]2CCN1CCC2)N1CCCOCC1 ZINC000917066975 663286299 /nfs/dbraw/zinc/28/62/99/663286299.db2.gz SPGAARMRTQGXNG-ZDUSSCGKSA-N 1 1 318.443 -1.067 20 0 DAADMO O=C(Cn1cncn1)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001031359155 663286460 /nfs/dbraw/zinc/28/64/60/663286460.db2.gz BBLCKUUMASFSSY-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@@H+]2CCN1CCC2)N1CCCOCC1 ZINC000917066974 663286567 /nfs/dbraw/zinc/28/65/67/663286567.db2.gz SPGAARMRTQGXNG-CYBMUJFWSA-N 1 1 318.443 -1.067 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCN1CCC2)N1CCCOCC1 ZINC000917066974 663286569 /nfs/dbraw/zinc/28/65/69/663286569.db2.gz SPGAARMRTQGXNG-CYBMUJFWSA-N 1 1 318.443 -1.067 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCO1 ZINC001031385122 663288879 /nfs/dbraw/zinc/28/88/79/663288879.db2.gz VGKOEPQWYYGZTB-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCO1 ZINC001031385121 663289014 /nfs/dbraw/zinc/28/90/14/663289014.db2.gz VGKOEPQWYYGZTB-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000925437897 663289921 /nfs/dbraw/zinc/28/99/21/663289921.db2.gz GVTSDGKVAOGSLG-UWVGGRQHSA-N 1 1 303.388 -1.766 20 0 DAADMO O=C(NC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402379 663290321 /nfs/dbraw/zinc/29/03/21/663290321.db2.gz GAZODVRTBCZVEQ-JQWIXIFHSA-N 1 1 317.411 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)C1 ZINC001031418035 663291808 /nfs/dbraw/zinc/29/18/08/663291808.db2.gz GPMWLPZFCDLMFM-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)C1 ZINC001031418035 663291813 /nfs/dbraw/zinc/29/18/13/663291813.db2.gz GPMWLPZFCDLMFM-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001031414006 663291892 /nfs/dbraw/zinc/29/18/92/663291892.db2.gz CZFLGSPXAWWXRL-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001031414006 663291895 /nfs/dbraw/zinc/29/18/95/663291895.db2.gz CZFLGSPXAWWXRL-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001031414004 663292002 /nfs/dbraw/zinc/29/20/02/663292002.db2.gz CZFLGSPXAWWXRL-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001031414004 663292007 /nfs/dbraw/zinc/29/20/07/663292007.db2.gz CZFLGSPXAWWXRL-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)C1 ZINC001031414248 663292112 /nfs/dbraw/zinc/29/21/12/663292112.db2.gz HIADQIIGYHXRRU-YPMHNXCESA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)C1 ZINC001031414248 663292116 /nfs/dbraw/zinc/29/21/16/663292116.db2.gz HIADQIIGYHXRRU-YPMHNXCESA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ncnn3C)C2)C1 ZINC001031418494 663292493 /nfs/dbraw/zinc/29/24/93/663292493.db2.gz KZXMRHITRIXHJJ-GFCCVEGCSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3ncnn3C)C2)C1 ZINC001031418494 663292501 /nfs/dbraw/zinc/29/25/01/663292501.db2.gz KZXMRHITRIXHJJ-GFCCVEGCSA-N 1 1 308.386 -1.164 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001031438523 663293310 /nfs/dbraw/zinc/29/33/10/663293310.db2.gz IODGICCEAYALNY-LLVKDONJSA-N 1 1 322.369 -1.254 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)nn1 ZINC001031438783 663293746 /nfs/dbraw/zinc/29/37/46/663293746.db2.gz UCKFFKPSUPIWAQ-JTQLQIEISA-N 1 1 322.369 -1.396 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cnsn1 ZINC001031559939 663298962 /nfs/dbraw/zinc/29/89/62/663298962.db2.gz DGKGDIINWOVGLZ-UHFFFAOYSA-N 1 1 324.366 -1.249 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCOC1 ZINC001031571949 663299997 /nfs/dbraw/zinc/29/99/97/663299997.db2.gz CMJSXDANNCNEQZ-LLVKDONJSA-N 1 1 310.354 -1.377 20 0 DAADMO Cn1nccc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031576734 663300205 /nfs/dbraw/zinc/30/02/05/663300205.db2.gz JSYAGYXHRUKPLS-LLVKDONJSA-N 1 1 305.338 -1.113 20 0 DAADMO CN(C(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001031593568 663300822 /nfs/dbraw/zinc/30/08/22/663300822.db2.gz DEOBUVUTYFDDSY-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001031593568 663300824 /nfs/dbraw/zinc/30/08/24/663300824.db2.gz DEOBUVUTYFDDSY-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031584326 663300850 /nfs/dbraw/zinc/30/08/50/663300850.db2.gz BQYFGVIHPNDJJJ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001031582939 663301060 /nfs/dbraw/zinc/30/10/60/663301060.db2.gz AAVGTUWASQQXFP-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO Nc1nccnc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031589364 663301211 /nfs/dbraw/zinc/30/12/11/663301211.db2.gz SJWGFNGGMLSVFR-SECBINFHSA-N 1 1 318.337 -1.474 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001031595261 663301610 /nfs/dbraw/zinc/30/16/10/663301610.db2.gz SKOHDWXLVKGSMR-OLZOCXBDSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001031595259 663301628 /nfs/dbraw/zinc/30/16/28/663301628.db2.gz SKOHDWXLVKGSMR-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596705 663301895 /nfs/dbraw/zinc/30/18/95/663301895.db2.gz NQFWOGVNMAVFDG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596705 663301899 /nfs/dbraw/zinc/30/18/99/663301899.db2.gz NQFWOGVNMAVFDG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)CCO3)C2)C1=O ZINC001031595936 663302044 /nfs/dbraw/zinc/30/20/44/663302044.db2.gz CSUUJOQYIRRJLD-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595979 663302068 /nfs/dbraw/zinc/30/20/68/663302068.db2.gz DMZSPKFOAKPYMN-PWSUYJOCSA-N 1 1 323.401 -1.350 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595979 663302073 /nfs/dbraw/zinc/30/20/73/663302073.db2.gz DMZSPKFOAKPYMN-PWSUYJOCSA-N 1 1 323.401 -1.350 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031593894 663302149 /nfs/dbraw/zinc/30/21/49/663302149.db2.gz MOURZBWZBKSHNO-CYBMUJFWSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031593894 663302154 /nfs/dbraw/zinc/30/21/54/663302154.db2.gz MOURZBWZBKSHNO-CYBMUJFWSA-N 1 1 310.398 -1.403 20 0 DAADMO Cn1ncnc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595142 663302225 /nfs/dbraw/zinc/30/22/25/663302225.db2.gz RTUFZYLYDIBKIP-LBPRGKRZSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1ncnc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595142 663302231 /nfs/dbraw/zinc/30/22/31/663302231.db2.gz RTUFZYLYDIBKIP-LBPRGKRZSA-N 1 1 308.386 -1.306 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031612824 663302568 /nfs/dbraw/zinc/30/25/68/663302568.db2.gz DZHJZAZHGBPEGY-NWDGAFQWSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031622317 663303053 /nfs/dbraw/zinc/30/30/53/663303053.db2.gz YVGMHAXUDZMOAF-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031625289 663303203 /nfs/dbraw/zinc/30/32/03/663303203.db2.gz WFZJIDPWFWCCJM-CHWSQXEVSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031621678 663303252 /nfs/dbraw/zinc/30/32/52/663303252.db2.gz MCRFCKQABXUSJI-STQMWFEESA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031621677 663303402 /nfs/dbraw/zinc/30/34/02/663303402.db2.gz MCRFCKQABXUSJI-QWHCGFSZSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031622354 663303418 /nfs/dbraw/zinc/30/34/18/663303418.db2.gz ZQRCKHHHHVUIPT-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031622316 663303486 /nfs/dbraw/zinc/30/34/86/663303486.db2.gz YVGMHAXUDZMOAF-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031622357 663303559 /nfs/dbraw/zinc/30/35/59/663303559.db2.gz ZQRCKHHHHVUIPT-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031625291 663303571 /nfs/dbraw/zinc/30/35/71/663303571.db2.gz WFZJIDPWFWCCJM-OLZOCXBDSA-N 1 1 310.398 -1.404 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H](C)C(=O)N(C)C)C2)C1 ZINC001031636404 663303830 /nfs/dbraw/zinc/30/38/30/663303830.db2.gz WBBVYSAKAKROPK-JTQLQIEISA-N 1 1 310.398 -1.011 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031625398 663303838 /nfs/dbraw/zinc/30/38/38/663303838.db2.gz XYVNUAPXJYCFSM-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H](C)C(=O)N(C)C)C2)C1 ZINC001031636405 663304050 /nfs/dbraw/zinc/30/40/50/663304050.db2.gz WBBVYSAKAKROPK-SNVBAGLBSA-N 1 1 310.398 -1.011 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1cncnc1 ZINC001031630026 663304155 /nfs/dbraw/zinc/30/41/55/663304155.db2.gz VOFNQICIHGDRRD-NSHDSACASA-N 1 1 303.322 -1.057 20 0 DAADMO C[C@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000920018987 663304207 /nfs/dbraw/zinc/30/42/07/663304207.db2.gz ILLLFMXDMBPBMQ-RYUDHWBXSA-N 1 1 306.432 -1.213 20 0 DAADMO C[C@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920018987 663304211 /nfs/dbraw/zinc/30/42/11/663304211.db2.gz ILLLFMXDMBPBMQ-RYUDHWBXSA-N 1 1 306.432 -1.213 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1=O ZINC001031643242 663304625 /nfs/dbraw/zinc/30/46/25/663304625.db2.gz NPWFBOOCJBYWKS-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1=O ZINC001031647569 663304762 /nfs/dbraw/zinc/30/47/62/663304762.db2.gz OBBIAWJOIRWSJA-MNOVXSKESA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)n1 ZINC001031652324 663305279 /nfs/dbraw/zinc/30/52/79/663305279.db2.gz DCABECPOODXOCG-UHFFFAOYSA-N 1 1 321.341 -1.972 20 0 DAADMO CCn1ncc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)n1 ZINC001031654315 663305289 /nfs/dbraw/zinc/30/52/89/663305289.db2.gz OCVQFCRPSYAQRD-UHFFFAOYSA-N 1 1 321.385 -1.015 20 0 DAADMO C[C@@H]1CCN(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC000920534652 663305300 /nfs/dbraw/zinc/30/53/00/663305300.db2.gz GGTVTBGLTKVDNS-LLVKDONJSA-N 1 1 304.416 -1.063 20 0 DAADMO COCC1(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000920535120 663305377 /nfs/dbraw/zinc/30/53/77/663305377.db2.gz LIEQXEFSXWTEJX-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO Cc1cnn(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535033 663305531 /nfs/dbraw/zinc/30/55/31/663305531.db2.gz IRMXCOPSDOHJJZ-UHFFFAOYSA-N 1 1 315.399 -1.219 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)n1 ZINC001031651806 663305596 /nfs/dbraw/zinc/30/55/96/663305596.db2.gz JEGAWKJPFFZDNB-UHFFFAOYSA-N 1 1 307.358 -1.498 20 0 DAADMO CCn1cncc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534659 663305672 /nfs/dbraw/zinc/30/56/72/663305672.db2.gz GLZVTDCZENKJSP-UHFFFAOYSA-N 1 1 315.399 -1.045 20 0 DAADMO CCn1cc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000920540599 663306201 /nfs/dbraw/zinc/30/62/01/663306201.db2.gz SVGJCADUSJRSNC-UHFFFAOYSA-N 1 1 315.399 -1.045 20 0 DAADMO Cn1nccc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920536054 663306310 /nfs/dbraw/zinc/30/63/10/663306310.db2.gz ZLAZQPLNRPPINN-UHFFFAOYSA-N 1 1 301.372 -1.528 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC000920520790 663306329 /nfs/dbraw/zinc/30/63/29/663306329.db2.gz IKTYCCIFZZADIB-TUAOUCFPSA-N 1 1 317.411 -1.000 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@]12C[C@H]1COC2 ZINC001031686495 663306958 /nfs/dbraw/zinc/30/69/58/663306958.db2.gz SFAWXRVBBZNGKT-NHYWBVRUSA-N 1 1 322.365 -1.377 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001038585211 663307430 /nfs/dbraw/zinc/30/74/30/663307430.db2.gz ABOWSPZCGZCWIO-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001038585211 663307434 /nfs/dbraw/zinc/30/74/34/663307434.db2.gz ABOWSPZCGZCWIO-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689385 663307551 /nfs/dbraw/zinc/30/75/51/663307551.db2.gz VERHWSVJTAQXBR-STQMWFEESA-N 1 1 310.398 -1.356 20 0 DAADMO CN(C)C(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689305 663307638 /nfs/dbraw/zinc/30/76/38/663307638.db2.gz SFOVGUWXNMPSTF-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC000948069356 663307700 /nfs/dbraw/zinc/30/77/00/663307700.db2.gz GEGHLJZLEHBUOJ-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CN(C)C(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689307 663308196 /nfs/dbraw/zinc/30/81/96/663308196.db2.gz SFOVGUWXNMPSTF-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@]1(CO)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000921339042 663308823 /nfs/dbraw/zinc/30/88/23/663308823.db2.gz WAIQCRGENMEMJF-CYBMUJFWSA-N 1 1 321.443 -1.307 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)NC1=O ZINC001038586645 663309772 /nfs/dbraw/zinc/30/97/72/663309772.db2.gz LHMMMQSFCSEMTO-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)NC1=O ZINC001038586645 663309774 /nfs/dbraw/zinc/30/97/74/663309774.db2.gz LHMMMQSFCSEMTO-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CC1=O ZINC001031711807 663311350 /nfs/dbraw/zinc/31/13/50/663311350.db2.gz LHQIEZAAYFDWCH-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CC1=O ZINC001031711808 663311893 /nfs/dbraw/zinc/31/18/93/663311893.db2.gz LHQIEZAAYFDWCH-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842711 663312101 /nfs/dbraw/zinc/31/21/01/663312101.db2.gz PYBPPFDVAUZFSV-UWVGGRQHSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842711 663312104 /nfs/dbraw/zinc/31/21/04/663312104.db2.gz PYBPPFDVAUZFSV-UWVGGRQHSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)O1 ZINC000948090182 663312589 /nfs/dbraw/zinc/31/25/89/663312589.db2.gz SLYACUGKPIGDBB-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)O1 ZINC000948090182 663312596 /nfs/dbraw/zinc/31/25/96/663312596.db2.gz SLYACUGKPIGDBB-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1=O ZINC000994779443 663313367 /nfs/dbraw/zinc/31/33/67/663313367.db2.gz DWEHHIRYTWMLGH-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938370165 663314338 /nfs/dbraw/zinc/31/43/38/663314338.db2.gz RWJBLDRREUQQQI-FMCALUSXSA-N 1 1 322.365 -1.948 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000938395849 663315414 /nfs/dbraw/zinc/31/54/14/663315414.db2.gz QREIBCQYAJMIFY-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000938395849 663315420 /nfs/dbraw/zinc/31/54/20/663315420.db2.gz QREIBCQYAJMIFY-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000938409810 663317300 /nfs/dbraw/zinc/31/73/00/663317300.db2.gz WOORSLMWIJFGGC-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938492904 663320928 /nfs/dbraw/zinc/32/09/28/663320928.db2.gz OAHXYVMIKXADGS-WDEREUQCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938492904 663320929 /nfs/dbraw/zinc/32/09/29/663320929.db2.gz OAHXYVMIKXADGS-WDEREUQCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938492903 663321024 /nfs/dbraw/zinc/32/10/24/663321024.db2.gz OAHXYVMIKXADGS-QWRGUYRKSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938492903 663321029 /nfs/dbraw/zinc/32/10/29/663321029.db2.gz OAHXYVMIKXADGS-QWRGUYRKSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)O1 ZINC000994841671 663322172 /nfs/dbraw/zinc/32/21/72/663322172.db2.gz ZESBHFQXAOAWQQ-MWLCHTKSSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)O1 ZINC000994841671 663322175 /nfs/dbraw/zinc/32/21/75/663322175.db2.gz ZESBHFQXAOAWQQ-MWLCHTKSSA-N 1 1 322.369 -1.525 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938540534 663322832 /nfs/dbraw/zinc/32/28/32/663322832.db2.gz YECBUMMNBHNAIV-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539600 663322902 /nfs/dbraw/zinc/32/29/02/663322902.db2.gz KTTBLJOHIGIKAN-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)CC2 ZINC000938554790 663323969 /nfs/dbraw/zinc/32/39/69/663323969.db2.gz XEHUJXUHWDOLEI-QWRGUYRKSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC000938573016 663325668 /nfs/dbraw/zinc/32/56/68/663325668.db2.gz VHLUTKZFTYOEIH-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938565692 663326320 /nfs/dbraw/zinc/32/63/20/663326320.db2.gz AMMDNRHXMKMSHG-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938575099 663327376 /nfs/dbraw/zinc/32/73/76/663327376.db2.gz UYKRSIJUVLTCNV-SRVKXCTJSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938580456 663327640 /nfs/dbraw/zinc/32/76/40/663327640.db2.gz BANSWYPQJRYBIY-FMCALUSXSA-N 1 1 322.365 -1.948 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)O1 ZINC000994847253 663327804 /nfs/dbraw/zinc/32/78/04/663327804.db2.gz KFYJXIPYRDOFKO-KXGXSXBTSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)O1 ZINC000994847253 663327807 /nfs/dbraw/zinc/32/78/07/663327807.db2.gz KFYJXIPYRDOFKO-KXGXSXBTSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC000994847753 663327875 /nfs/dbraw/zinc/32/78/75/663327875.db2.gz ORWTUQVSLUZTNE-PSASIEDQSA-N 1 1 308.342 -1.536 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC000994847753 663327881 /nfs/dbraw/zinc/32/78/81/663327881.db2.gz ORWTUQVSLUZTNE-PSASIEDQSA-N 1 1 308.342 -1.536 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)O1 ZINC000994847760 663328239 /nfs/dbraw/zinc/32/82/39/663328239.db2.gz OYDDTNUBMVTGCU-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)O1 ZINC000994847760 663328246 /nfs/dbraw/zinc/32/82/46/663328246.db2.gz OYDDTNUBMVTGCU-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnon3)C2)O1 ZINC000994847756 663328318 /nfs/dbraw/zinc/32/83/18/663328318.db2.gz OULOZBARRHCREH-LDYMZIIASA-N 1 1 309.326 -1.271 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnon3)C2)O1 ZINC000994847756 663328321 /nfs/dbraw/zinc/32/83/21/663328321.db2.gz OULOZBARRHCREH-LDYMZIIASA-N 1 1 309.326 -1.271 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000938585544 663328751 /nfs/dbraw/zinc/32/87/51/663328751.db2.gz KFCNEGCESTVREB-JTQLQIEISA-N 1 1 319.365 -1.036 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938586173 663329323 /nfs/dbraw/zinc/32/93/23/663329323.db2.gz KNVXGWHHQROJLN-QWRGUYRKSA-N 1 1 322.369 -1.984 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)no1 ZINC000938588061 663329348 /nfs/dbraw/zinc/32/93/48/663329348.db2.gz MNJDIZNTCQNPKJ-QMMMGPOBSA-N 1 1 309.326 -1.448 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)O1 ZINC000994849862 663330034 /nfs/dbraw/zinc/33/00/34/663330034.db2.gz HUSGGVQMXFTJMR-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)O1 ZINC000994849862 663330038 /nfs/dbraw/zinc/33/00/38/663330038.db2.gz HUSGGVQMXFTJMR-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740162 663330067 /nfs/dbraw/zinc/33/00/67/663330067.db2.gz RCMGOCQXBJFYJT-SECBINFHSA-N 1 1 307.354 -1.424 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740295 663330199 /nfs/dbraw/zinc/33/01/99/663330199.db2.gz YBWZYEUFKQSVMT-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)O1 ZINC000938769517 663333274 /nfs/dbraw/zinc/33/32/74/663333274.db2.gz YWJKDEVPJPCINZ-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)O1 ZINC000938769517 663333279 /nfs/dbraw/zinc/33/32/79/663333279.db2.gz YWJKDEVPJPCINZ-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000938826326 663334748 /nfs/dbraw/zinc/33/47/48/663334748.db2.gz GHHQJAPXCIRMHK-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000938825442 663335018 /nfs/dbraw/zinc/33/50/18/663335018.db2.gz WDSKPLBJTJZKTI-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938881494 663336403 /nfs/dbraw/zinc/33/64/03/663336403.db2.gz IEPMVDQZIWOEMW-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938881494 663336406 /nfs/dbraw/zinc/33/64/06/663336406.db2.gz IEPMVDQZIWOEMW-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765413 663340500 /nfs/dbraw/zinc/34/05/00/663340500.db2.gz FKWBVKNETBDLBX-NTZNESFSSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765413 663340504 /nfs/dbraw/zinc/34/05/04/663340504.db2.gz FKWBVKNETBDLBX-NTZNESFSSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765412 663340761 /nfs/dbraw/zinc/34/07/61/663340761.db2.gz FKWBVKNETBDLBX-NQBHXWOUSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765412 663340766 /nfs/dbraw/zinc/34/07/66/663340766.db2.gz FKWBVKNETBDLBX-NQBHXWOUSA-N 1 1 312.414 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939041713 663341979 /nfs/dbraw/zinc/34/19/79/663341979.db2.gz ZDDJXWACMGUVLV-RKDXNWHRSA-N 1 1 307.358 -1.588 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939067321 663342377 /nfs/dbraw/zinc/34/23/77/663342377.db2.gz FCNGWTRBGVTTER-RKDXNWHRSA-N 1 1 320.357 -1.101 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000939108211 663343112 /nfs/dbraw/zinc/34/31/12/663343112.db2.gz RGWGIWHTAYAQMN-GMTAPVOTSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000939113320 663343330 /nfs/dbraw/zinc/34/33/30/663343330.db2.gz JFOVYUADWYUHOQ-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994911411 663344874 /nfs/dbraw/zinc/34/48/74/663344874.db2.gz JQGSMDNCVGMTGH-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994911411 663344878 /nfs/dbraw/zinc/34/48/78/663344878.db2.gz JQGSMDNCVGMTGH-GFCCVEGCSA-N 1 1 307.354 -1.459 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994917023 663346915 /nfs/dbraw/zinc/34/69/15/663346915.db2.gz YGTPZGNFNCRJQP-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)C1 ZINC000994917023 663346919 /nfs/dbraw/zinc/34/69/19/663346919.db2.gz YGTPZGNFNCRJQP-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)O1 ZINC000994924769 663347385 /nfs/dbraw/zinc/34/73/85/663347385.db2.gz AAFQSEBNPDADJL-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3ccnc3)C2)O1 ZINC000994924769 663347387 /nfs/dbraw/zinc/34/73/87/663347387.db2.gz AAFQSEBNPDADJL-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO O=C(Cn1ccnc1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000994922020 663347673 /nfs/dbraw/zinc/34/76/73/663347673.db2.gz CBDNGIXLCVOKIC-UHFFFAOYSA-N 1 1 321.381 -1.068 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)c1cnon1 ZINC000939374053 663353014 /nfs/dbraw/zinc/35/30/14/663353014.db2.gz OCFFTQOTCVTOGT-JLLWLGSASA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)c1cnon1 ZINC000939374053 663353016 /nfs/dbraw/zinc/35/30/16/663353016.db2.gz OCFFTQOTCVTOGT-JLLWLGSASA-N 1 1 323.353 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001031820070 663356030 /nfs/dbraw/zinc/35/60/30/663356030.db2.gz JBPHBPZOFMKWAK-VIFPVBQESA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000939501212 663356970 /nfs/dbraw/zinc/35/69/70/663356970.db2.gz VSDXAAQFXLASNQ-GHMZBOCLSA-N 1 1 321.385 -1.191 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000939685391 663360377 /nfs/dbraw/zinc/36/03/77/663360377.db2.gz HSNXDOICECIAMM-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000939685391 663360382 /nfs/dbraw/zinc/36/03/82/663360382.db2.gz HSNXDOICECIAMM-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC000939697425 663361171 /nfs/dbraw/zinc/36/11/71/663361171.db2.gz PADFETDZRJBKSP-PSASIEDQSA-N 1 1 322.325 -1.442 20 0 DAADMO C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)C(N)=O ZINC000939705601 663362530 /nfs/dbraw/zinc/36/25/30/663362530.db2.gz HNTIPWVHAUTCBK-LDYMZIIASA-N 1 1 323.353 -1.202 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939729269 663363013 /nfs/dbraw/zinc/36/30/13/663363013.db2.gz NBRIUSSKQXGCDV-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000939751428 663363530 /nfs/dbraw/zinc/36/35/30/663363530.db2.gz SDCQCWUCJFEFJJ-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000939742672 663363819 /nfs/dbraw/zinc/36/38/19/663363819.db2.gz HLOATOOTRTYXMX-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2CN(C(=O)CC(N)=O)C2)no1 ZINC000995005247 663363981 /nfs/dbraw/zinc/36/39/81/663363981.db2.gz KLSQJVPHKCTWTQ-UHFFFAOYSA-N 1 1 309.326 -1.448 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939870924 663365321 /nfs/dbraw/zinc/36/53/21/663365321.db2.gz BIDOAMNCPVTZFM-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939870924 663365325 /nfs/dbraw/zinc/36/53/25/663365325.db2.gz BIDOAMNCPVTZFM-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939863565 663365715 /nfs/dbraw/zinc/36/57/15/663365715.db2.gz FJOCFIDLTMQLGT-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939863565 663365718 /nfs/dbraw/zinc/36/57/18/663365718.db2.gz FJOCFIDLTMQLGT-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000939867572 663365777 /nfs/dbraw/zinc/36/57/77/663365777.db2.gz RDGLQIPVNMTDMD-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000939867572 663365781 /nfs/dbraw/zinc/36/57/81/663365781.db2.gz RDGLQIPVNMTDMD-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939863723 663365893 /nfs/dbraw/zinc/36/58/93/663365893.db2.gz KLRPXCDOPYXMIS-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939863723 663365895 /nfs/dbraw/zinc/36/58/95/663365895.db2.gz KLRPXCDOPYXMIS-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@H](C(N)=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856992 663365972 /nfs/dbraw/zinc/36/59/72/663365972.db2.gz OIPWCHZSNOIBML-YPPMETMDSA-N 1 1 322.409 -1.229 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031861322 663366108 /nfs/dbraw/zinc/36/61/08/663366108.db2.gz QUWDDNXERLVINV-LLVKDONJSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031860382 663366377 /nfs/dbraw/zinc/36/63/77/663366377.db2.gz MAPYUEXGGLWBCM-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856990 663366410 /nfs/dbraw/zinc/36/64/10/663366410.db2.gz OIPWCHZSNOIBML-VIHGGKNESA-N 1 1 322.409 -1.229 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001038593698 663366432 /nfs/dbraw/zinc/36/64/32/663366432.db2.gz OOISNDYEFMZRCP-VHSXEESVSA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001038593698 663366434 /nfs/dbraw/zinc/36/64/34/663366434.db2.gz OOISNDYEFMZRCP-VHSXEESVSA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001031869653 663368277 /nfs/dbraw/zinc/36/82/77/663368277.db2.gz PYABTDMTRLPRLL-NSHDSACASA-N 1 1 315.395 -1.642 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000995049051 663369036 /nfs/dbraw/zinc/36/90/36/663369036.db2.gz QRDTYVNSVVKTME-BDAKNGLRSA-N 1 1 320.361 -1.578 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000940254210 663371436 /nfs/dbraw/zinc/37/14/36/663371436.db2.gz CDNPYHADIRCGPH-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000940254210 663371437 /nfs/dbraw/zinc/37/14/37/663371437.db2.gz CDNPYHADIRCGPH-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1csnn1 ZINC001031879968 663372266 /nfs/dbraw/zinc/37/22/66/663372266.db2.gz DXAQMICOXHJRQY-UHFFFAOYSA-N 1 1 324.366 -1.249 20 0 DAADMO Cc1n[nH]cc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031886913 663373194 /nfs/dbraw/zinc/37/31/94/663373194.db2.gz CHMMDTRWJXVFSZ-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000995082210 663374345 /nfs/dbraw/zinc/37/43/45/663374345.db2.gz AFPBCSTZJCEGGG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000995081062 663374666 /nfs/dbraw/zinc/37/46/66/663374666.db2.gz JTJCOELXESAINW-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000940529031 663374689 /nfs/dbraw/zinc/37/46/89/663374689.db2.gz UMACTUDRSOITIA-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000940547449 663374804 /nfs/dbraw/zinc/37/48/04/663374804.db2.gz HHSWEHZUKNDVPJ-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000940547450 663374860 /nfs/dbraw/zinc/37/48/60/663374860.db2.gz HHSWEHZUKNDVPJ-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000995085013 663375560 /nfs/dbraw/zinc/37/55/60/663375560.db2.gz KFAKXLXTLBYIKH-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001031897496 663376131 /nfs/dbraw/zinc/37/61/31/663376131.db2.gz SQTBFCMHGRMSIN-GFCCVEGCSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1c(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001031898187 663376501 /nfs/dbraw/zinc/37/65/01/663376501.db2.gz CHSOFFYNWHUNDP-VIFPVBQESA-N 1 1 321.337 -1.408 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)NC1=O ZINC001031897947 663376524 /nfs/dbraw/zinc/37/65/24/663376524.db2.gz XUZODFGCEHEXEZ-LBPRGKRZSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000940615582 663377489 /nfs/dbraw/zinc/37/74/89/663377489.db2.gz GIJFFLGCWTWXPP-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940615662 663377589 /nfs/dbraw/zinc/37/75/89/663377589.db2.gz JEBSOKNMIRRYAZ-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1=O ZINC001031901987 663378144 /nfs/dbraw/zinc/37/81/44/663378144.db2.gz CZMKUUGEPMAKRW-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCNC1=O ZINC001031902588 663378166 /nfs/dbraw/zinc/37/81/66/663378166.db2.gz OXFFKMBNZFEIPT-VHSXEESVSA-N 1 1 308.338 -2.024 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031901577 663378271 /nfs/dbraw/zinc/37/82/71/663378271.db2.gz DUUDXGJMCOEJDU-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCNC1=O ZINC001031902587 663378290 /nfs/dbraw/zinc/37/82/90/663378290.db2.gz OXFFKMBNZFEIPT-UWVGGRQHSA-N 1 1 308.338 -2.024 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)NC1=O ZINC001031903034 663378588 /nfs/dbraw/zinc/37/85/88/663378588.db2.gz SQYXLKGLEKJMPD-GHMZBOCLSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)NC1=O ZINC001031903068 663378609 /nfs/dbraw/zinc/37/86/09/663378609.db2.gz UAAYCMOQPZGDIK-NEPJUHHUSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000995092319 663378811 /nfs/dbraw/zinc/37/88/11/663378811.db2.gz YRTHUGQNHFRPAI-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)NC1=O ZINC001031903036 663379031 /nfs/dbraw/zinc/37/90/31/663379031.db2.gz SQYXLKGLEKJMPD-QWRGUYRKSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666812 663379227 /nfs/dbraw/zinc/37/92/27/663379227.db2.gz AJRVPFOGVVSOKV-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940748502 663379703 /nfs/dbraw/zinc/37/97/03/663379703.db2.gz YOYLPBNQXBTRNM-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000940761555 663380159 /nfs/dbraw/zinc/38/01/59/663380159.db2.gz OMRPDXBZDKWHDH-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1=O ZINC001031912050 663380303 /nfs/dbraw/zinc/38/03/03/663380303.db2.gz HQCHRUFKQYSOIX-MNOVXSKESA-N 1 1 322.365 -1.682 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1=O ZINC001031912052 663380782 /nfs/dbraw/zinc/38/07/82/663380782.db2.gz HQCHRUFKQYSOIX-WDEREUQCSA-N 1 1 322.365 -1.682 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000941000814 663382805 /nfs/dbraw/zinc/38/28/05/663382805.db2.gz AQAFTNPBGPVBFP-NXEZZACHSA-N 1 1 305.338 -1.037 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1COCCO1 ZINC001038074285 663383053 /nfs/dbraw/zinc/38/30/53/663383053.db2.gz BTJLWUVVWOWJLG-RYUDHWBXSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1COCCO1 ZINC001038074285 663383056 /nfs/dbraw/zinc/38/30/56/663383056.db2.gz BTJLWUVVWOWJLG-RYUDHWBXSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1COCCO1 ZINC001038074286 663383176 /nfs/dbraw/zinc/38/31/76/663383176.db2.gz BTJLWUVVWOWJLG-VXGBXAGGSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1COCCO1 ZINC001038074286 663383178 /nfs/dbraw/zinc/38/31/78/663383178.db2.gz BTJLWUVVWOWJLG-VXGBXAGGSA-N 1 1 312.370 -1.383 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000941097860 663384421 /nfs/dbraw/zinc/38/44/21/663384421.db2.gz UVDMGPOWKWQMKW-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031934599 663385703 /nfs/dbraw/zinc/38/57/03/663385703.db2.gz QEEGZRWJVIWQRE-SECBINFHSA-N 1 1 307.354 -1.092 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000941226189 663386050 /nfs/dbraw/zinc/38/60/50/663386050.db2.gz LYWGWOPZOMXTSH-QWRGUYRKSA-N 1 1 319.427 -1.113 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000995136294 663386774 /nfs/dbraw/zinc/38/67/74/663386774.db2.gz TZVSQEILQKFDAI-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CCn1cncn1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941314870 663387760 /nfs/dbraw/zinc/38/77/60/663387760.db2.gz XHOVMMFECHEQGD-UHFFFAOYSA-N 1 1 308.386 -1.511 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031941486 663388376 /nfs/dbraw/zinc/38/83/76/663388376.db2.gz FCCSQGJRIMUEAE-MNOVXSKESA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031942885 663389274 /nfs/dbraw/zinc/38/92/74/663389274.db2.gz UWZZWYYEPHKUCB-KWQFWETISA-N 1 1 309.370 -1.617 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941335409 663389302 /nfs/dbraw/zinc/38/93/02/663389302.db2.gz JWLFBOUKWPSRBY-CHWSQXEVSA-N 1 1 311.382 -1.384 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941335412 663389434 /nfs/dbraw/zinc/38/94/34/663389434.db2.gz JWLFBOUKWPSRBY-STQMWFEESA-N 1 1 311.382 -1.384 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3COCCO3)CC2)C1 ZINC000941323032 663390106 /nfs/dbraw/zinc/39/01/06/663390106.db2.gz LYONAQJQZSQPRP-CQSZACIVSA-N 1 1 313.398 -1.123 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370195 663391562 /nfs/dbraw/zinc/39/15/62/663391562.db2.gz SZLXIEYBLFWMES-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941383799 663392024 /nfs/dbraw/zinc/39/20/24/663392024.db2.gz IZARQLMQZJKUBO-CQSZACIVSA-N 1 1 312.414 -1.862 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941378569 663392406 /nfs/dbraw/zinc/39/24/06/663392406.db2.gz XMNQXASGIPYCIX-LBPRGKRZSA-N 1 1 311.382 -1.240 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC000941396821 663392773 /nfs/dbraw/zinc/39/27/73/663392773.db2.gz SBGPKKNPUBNQRY-UHFFFAOYSA-N 1 1 308.386 -1.097 20 0 DAADMO CCN1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941428235 663393021 /nfs/dbraw/zinc/39/30/21/663393021.db2.gz NODLRLRIRMIHNU-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC000941426924 663393274 /nfs/dbraw/zinc/39/32/74/663393274.db2.gz NKKHHWYOUAEZKO-UTUOFQBUSA-N 1 1 315.370 -1.695 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC000941426924 663393276 /nfs/dbraw/zinc/39/32/76/663393276.db2.gz NKKHHWYOUAEZKO-UTUOFQBUSA-N 1 1 315.370 -1.695 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC000941424403 663393286 /nfs/dbraw/zinc/39/32/86/663393286.db2.gz MRTKFLSXUNLDKH-UHFFFAOYSA-N 1 1 308.386 -1.247 20 0 DAADMO CCN1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941428237 663393458 /nfs/dbraw/zinc/39/34/58/663393458.db2.gz NODLRLRIRMIHNU-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941444036 663393861 /nfs/dbraw/zinc/39/38/61/663393861.db2.gz BCNIDNGKKMJQPR-ZDUSSCGKSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941444035 663393957 /nfs/dbraw/zinc/39/39/57/663393957.db2.gz BCNIDNGKKMJQPR-CYBMUJFWSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941437114 663394164 /nfs/dbraw/zinc/39/41/64/663394164.db2.gz SCFYSBFKZLPNIF-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO O=C(c1cc2n(n1)CCO2)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941438413 663394350 /nfs/dbraw/zinc/39/43/50/663394350.db2.gz VZAKBPQCUYNANC-UHFFFAOYSA-N 1 1 321.381 -1.290 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941459869 663394525 /nfs/dbraw/zinc/39/45/25/663394525.db2.gz IIWUTCZNXFZSHZ-CQSZACIVSA-N 1 1 323.441 -1.216 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941436745 663394574 /nfs/dbraw/zinc/39/45/74/663394574.db2.gz DQZFAUMNQZYKPY-GFCCVEGCSA-N 1 1 310.398 -1.667 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001031951038 663394644 /nfs/dbraw/zinc/39/46/44/663394644.db2.gz KWGRYJCIJQBIFE-JTQLQIEISA-N 1 1 321.337 -1.408 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941479682 663395687 /nfs/dbraw/zinc/39/56/87/663395687.db2.gz PSTYXECCTNHFSN-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CNC(=O)C1 ZINC000941500438 663396028 /nfs/dbraw/zinc/39/60/28/663396028.db2.gz SQWWWCPPPCSDPP-HNNXBMFYSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C([C@H]1CCNC(=O)CC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941502181 663396232 /nfs/dbraw/zinc/39/62/32/663396232.db2.gz LNFDHLXTMBLWLI-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)C1 ZINC000941500211 663396256 /nfs/dbraw/zinc/39/62/56/663396256.db2.gz MGXVLZDIJWYFIP-MRXNPFEDSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941509410 663396882 /nfs/dbraw/zinc/39/68/82/663396882.db2.gz IIILSOZUFZYYEQ-STQMWFEESA-N 1 1 310.398 -1.681 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC000941523250 663396952 /nfs/dbraw/zinc/39/69/52/663396952.db2.gz AKNQULRNTYFNKH-UHFFFAOYSA-N 1 1 309.374 -1.702 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)NC1=O ZINC000941515855 663397401 /nfs/dbraw/zinc/39/74/01/663397401.db2.gz FYTJILCJFDGEBV-GFCCVEGCSA-N 1 1 311.386 -2.169 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 ZINC000941539063 663397423 /nfs/dbraw/zinc/39/74/23/663397423.db2.gz TTYMDTBWSFYJAF-UHFFFAOYSA-N 1 1 321.381 -1.142 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC000941543868 663398509 /nfs/dbraw/zinc/39/85/09/663398509.db2.gz VGWQVQXMXUEZED-CYBMUJFWSA-N 1 1 310.398 -1.131 20 0 DAADMO C[C@@H]1CC[C@@H](C[NH+]2CC(N3CCN(C(=O)C(N)=O)CC3)C2)O1 ZINC000941543634 663398543 /nfs/dbraw/zinc/39/85/43/663398543.db2.gz MZZGKIJKCNNNEA-YPMHNXCESA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC000941543870 663398684 /nfs/dbraw/zinc/39/86/84/663398684.db2.gz VGWQVQXMXUEZED-ZDUSSCGKSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)c1coc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c1 ZINC000941563719 663399439 /nfs/dbraw/zinc/39/94/39/663399439.db2.gz KVJZWEZNBCKNDY-UHFFFAOYSA-N 1 1 322.365 -1.187 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941566345 663399621 /nfs/dbraw/zinc/39/96/21/663399621.db2.gz CIWBLUMUXAAGKA-JSGCOSHPSA-N 1 1 323.441 -1.502 20 0 DAADMO O=C([C@@H]1CCCCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941563766 663399635 /nfs/dbraw/zinc/39/96/35/663399635.db2.gz MRBHMYPMYFGJFI-AWEZNQCLSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C(=O)N1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000941622079 663401154 /nfs/dbraw/zinc/40/11/54/663401154.db2.gz GTNAAAIWURLHNV-UHFFFAOYSA-N 1 1 312.370 -1.745 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941635585 663401222 /nfs/dbraw/zinc/40/12/22/663401222.db2.gz SVELJCKOKHLBLP-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000941645578 663401772 /nfs/dbraw/zinc/40/17/72/663401772.db2.gz UISMUKOCAFKDRE-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000941673233 663402029 /nfs/dbraw/zinc/40/20/29/663402029.db2.gz GGXZAQUFQSNBBF-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941667993 663402376 /nfs/dbraw/zinc/40/23/76/663402376.db2.gz AHYOKUXHTKAIMD-UHFFFAOYSA-N 1 1 320.397 -1.495 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941690293 663402772 /nfs/dbraw/zinc/40/27/72/663402772.db2.gz IKIJBRWTHDNLIQ-NSHDSACASA-N 1 1 324.381 -2.140 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941690292 663403064 /nfs/dbraw/zinc/40/30/64/663403064.db2.gz IKIJBRWTHDNLIQ-LLVKDONJSA-N 1 1 324.381 -2.140 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941787954 663404102 /nfs/dbraw/zinc/40/41/02/663404102.db2.gz AIAZUYHFQBPWHF-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941788119 663404174 /nfs/dbraw/zinc/40/41/74/663404174.db2.gz BYMPDORZVCWDPY-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791578 663404837 /nfs/dbraw/zinc/40/48/37/663404837.db2.gz UVSGSQMNFAQUDW-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941794855 663405004 /nfs/dbraw/zinc/40/50/04/663405004.db2.gz ODYNZPQBCXIBLE-VXGBXAGGSA-N 1 1 319.373 -1.209 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)O1 ZINC001031973535 663405741 /nfs/dbraw/zinc/40/57/41/663405741.db2.gz MBWCRTAQEVEPIB-SDDRHHMPSA-N 1 1 324.381 -1.654 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031980231 663407350 /nfs/dbraw/zinc/40/73/50/663407350.db2.gz MALORDCABIILBJ-AXTRIDKLSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031978870 663407522 /nfs/dbraw/zinc/40/75/22/663407522.db2.gz NHQLWVBQNWHYRG-ZMLRMANQSA-N 1 1 310.398 -1.107 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 ZINC001031978781 663407591 /nfs/dbraw/zinc/40/75/91/663407591.db2.gz WNYXAORZTRPWAS-PWSUYJOCSA-N 1 1 307.402 -1.044 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031982230 663408645 /nfs/dbraw/zinc/40/86/45/663408645.db2.gz KSFUTUNLAZSBIS-UTLUCORTSA-N 1 1 308.338 -2.039 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cncn3)C2)n1 ZINC000995195945 663411516 /nfs/dbraw/zinc/41/15/16/663411516.db2.gz NEZGAPJXTYOCRG-GHMZBOCLSA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000942017693 663411685 /nfs/dbraw/zinc/41/16/85/663411685.db2.gz UBBJCUMCXIERKM-GMTAPVOTSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942055547 663411820 /nfs/dbraw/zinc/41/18/20/663411820.db2.gz AMHOKZKCNWGXLF-NWDGAFQWSA-N 1 1 319.373 -1.209 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)nn1 ZINC000942042594 663411908 /nfs/dbraw/zinc/41/19/08/663411908.db2.gz UJCAZBDKFBQVOV-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)nn1 ZINC000942042594 663411910 /nfs/dbraw/zinc/41/19/10/663411910.db2.gz UJCAZBDKFBQVOV-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000942061050 663412438 /nfs/dbraw/zinc/41/24/38/663412438.db2.gz IAAPSMADDQPSPG-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061177 663412674 /nfs/dbraw/zinc/41/26/74/663412674.db2.gz IOYVGCNHJFVCCJ-DTWKUNHWSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061177 663412677 /nfs/dbraw/zinc/41/26/77/663412677.db2.gz IOYVGCNHJFVCCJ-DTWKUNHWSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000942106470 663412974 /nfs/dbraw/zinc/41/29/74/663412974.db2.gz PCVPYUCHALJLEW-NWDGAFQWSA-N 1 1 324.381 -1.634 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000942191754 663415283 /nfs/dbraw/zinc/41/52/83/663415283.db2.gz DXEDOWIGXWJULE-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942201694 663415910 /nfs/dbraw/zinc/41/59/10/663415910.db2.gz ZXBQVQMZXMEMGF-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200741 663415929 /nfs/dbraw/zinc/41/59/29/663415929.db2.gz OGOOJBQJPJCPEG-UWVGGRQHSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200741 663415930 /nfs/dbraw/zinc/41/59/30/663415930.db2.gz OGOOJBQJPJCPEG-UWVGGRQHSA-N 1 1 310.358 -2.106 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000942204988 663415936 /nfs/dbraw/zinc/41/59/36/663415936.db2.gz UUSYVZVRLXVLOM-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942199152 663416092 /nfs/dbraw/zinc/41/60/92/663416092.db2.gz ALKITBWFRFYCAU-WDEREUQCSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942201696 663416233 /nfs/dbraw/zinc/41/62/33/663416233.db2.gz ZXBQVQMZXMEMGF-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000942305337 663420010 /nfs/dbraw/zinc/42/00/10/663420010.db2.gz UYKRSIJUVLTCNV-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)C2 ZINC000942307567 663420476 /nfs/dbraw/zinc/42/04/76/663420476.db2.gz AAVUOYNBHXBLMN-WDEREUQCSA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)C2 ZINC000942307566 663420707 /nfs/dbraw/zinc/42/07/07/663420707.db2.gz AAVUOYNBHXBLMN-GHMZBOCLSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312772 663421450 /nfs/dbraw/zinc/42/14/50/663421450.db2.gz CPMQJLSYANDYHP-VHSXEESVSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312772 663421453 /nfs/dbraw/zinc/42/14/53/663421453.db2.gz CPMQJLSYANDYHP-VHSXEESVSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000942433460 663423564 /nfs/dbraw/zinc/42/35/64/663423564.db2.gz SNNVZFUMRSWIEE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000942436059 663423581 /nfs/dbraw/zinc/42/35/81/663423581.db2.gz KVFFGJJVABLSQC-WISYIIOYSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000942435018 663423641 /nfs/dbraw/zinc/42/36/41/663423641.db2.gz PSRLOKGTNQZOJO-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522612 663425596 /nfs/dbraw/zinc/42/55/96/663425596.db2.gz DXBZCALFHGWARO-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522612 663425600 /nfs/dbraw/zinc/42/56/00/663425600.db2.gz DXBZCALFHGWARO-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](C)C1 ZINC000942522682 663425781 /nfs/dbraw/zinc/42/57/81/663425781.db2.gz FROLOJHUHPDSSI-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 ZINC000942560916 663426376 /nfs/dbraw/zinc/42/63/76/663426376.db2.gz YOXNWCWDNMYLLN-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942567873 663426616 /nfs/dbraw/zinc/42/66/16/663426616.db2.gz SGLGRPNWFDQVRX-WDEREUQCSA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559434 663426689 /nfs/dbraw/zinc/42/66/89/663426689.db2.gz BXMBSVWTEVDJOU-GHMZBOCLSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559434 663426693 /nfs/dbraw/zinc/42/66/93/663426693.db2.gz BXMBSVWTEVDJOU-GHMZBOCLSA-N 1 1 311.386 -2.270 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2CCc2ccnn2C)n1 ZINC001038600178 663427108 /nfs/dbraw/zinc/42/71/08/663427108.db2.gz HBZPUOYPOFHDKA-NSHDSACASA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2CCc2ccnn2C)n1 ZINC001038600178 663427111 /nfs/dbraw/zinc/42/71/11/663427111.db2.gz HBZPUOYPOFHDKA-NSHDSACASA-N 1 1 304.358 -1.010 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](C)C1 ZINC000942589243 663427337 /nfs/dbraw/zinc/42/73/37/663427337.db2.gz VFSNMJLBRWHXDY-UWVGGRQHSA-N 1 1 307.354 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942595140 663427504 /nfs/dbraw/zinc/42/75/04/663427504.db2.gz USCQAWBQAOWJHL-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO Cc1c[nH]c(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)n1 ZINC001032039798 663427753 /nfs/dbraw/zinc/42/77/53/663427753.db2.gz CZXSMRQIOQZKNA-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591684 663427806 /nfs/dbraw/zinc/42/78/06/663427806.db2.gz NILDSKHHEHIUEF-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001032052413 663430563 /nfs/dbraw/zinc/43/05/63/663430563.db2.gz KSKLJTNVRHIUMK-NSHDSACASA-N 1 1 322.365 -1.682 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052620 663430660 /nfs/dbraw/zinc/43/06/60/663430660.db2.gz SHDYVYSPVQCDSD-SNVBAGLBSA-N 1 1 310.354 -1.649 20 0 DAADMO CCn1nc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001032058514 663431358 /nfs/dbraw/zinc/43/13/58/663431358.db2.gz FTRDAKBHGOJNNE-GFCCVEGCSA-N 1 1 319.365 -1.187 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)c1cnon1 ZINC001032064019 663432146 /nfs/dbraw/zinc/43/21/46/663432146.db2.gz AVNOISBOXIAAAQ-UHFFFAOYSA-N 1 1 307.310 -1.120 20 0 DAADMO O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001032061153 663432362 /nfs/dbraw/zinc/43/23/62/663432362.db2.gz PPBZWKJHNVCRFU-NSHDSACASA-N 1 1 305.342 -1.276 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000995307457 663432395 /nfs/dbraw/zinc/43/23/95/663432395.db2.gz YMBUDKXQKCFWOF-ZJUUUORDSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943547837 663436288 /nfs/dbraw/zinc/43/62/88/663436288.db2.gz JXLYXINKDDPRSD-GXSJLCMTSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549722 663436361 /nfs/dbraw/zinc/43/63/61/663436361.db2.gz UVFBTINGVOPTAZ-WPRPVWTQSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549722 663436365 /nfs/dbraw/zinc/43/63/65/663436365.db2.gz UVFBTINGVOPTAZ-WPRPVWTQSA-N 1 1 310.354 -1.649 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995389069 663438486 /nfs/dbraw/zinc/43/84/86/663438486.db2.gz IRTFPBGBHSNHIX-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995389066 663438815 /nfs/dbraw/zinc/43/88/15/663438815.db2.gz IRTFPBGBHSNHIX-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)Cn2cnnn2)C1 ZINC000943856114 663439431 /nfs/dbraw/zinc/43/94/31/663439431.db2.gz BFOKTIZDBKHICN-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)nn1 ZINC000995415386 663441123 /nfs/dbraw/zinc/44/11/23/663441123.db2.gz OIAMPTMSJWBOTF-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995433104 663441764 /nfs/dbraw/zinc/44/17/64/663441764.db2.gz UWAHSXBPEMRTNE-SECBINFHSA-N 1 1 320.361 -1.777 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001032136552 663442567 /nfs/dbraw/zinc/44/25/67/663442567.db2.gz AAVGTUWASQQXFP-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)Cn2cnnn2)CC1 ZINC000944030022 663442866 /nfs/dbraw/zinc/44/28/66/663442866.db2.gz RFNCHXVLBCZCCA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)Cn2ncnn2)C1 ZINC000944035368 663443202 /nfs/dbraw/zinc/44/32/02/663443202.db2.gz ANOSIXIQNCWDIW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000944039239 663443475 /nfs/dbraw/zinc/44/34/75/663443475.db2.gz HMUWADUUDMOWPQ-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001032176532 663443621 /nfs/dbraw/zinc/44/36/21/663443621.db2.gz JRZILCJYXWRYDN-VIFPVBQESA-N 1 1 320.353 -1.499 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)n1 ZINC001038601722 663443664 /nfs/dbraw/zinc/44/36/64/663443664.db2.gz PTOLFDIETVORBH-GHMZBOCLSA-N 1 1 321.385 -1.070 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182086 663444701 /nfs/dbraw/zinc/44/47/01/663444701.db2.gz DQRQGPREKIUSLK-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001032182206 663444985 /nfs/dbraw/zinc/44/49/85/663444985.db2.gz HDKGLJNVHZXEJL-CQSZACIVSA-N 1 1 324.425 -1.155 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000944156276 663446173 /nfs/dbraw/zinc/44/61/73/663446173.db2.gz SXVJROQUMBHZQU-ZJUUUORDSA-N 1 1 320.353 -1.150 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000944201944 663446586 /nfs/dbraw/zinc/44/65/86/663446586.db2.gz SNPPJRLCJRTJIS-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000944201944 663446588 /nfs/dbraw/zinc/44/65/88/663446588.db2.gz SNPPJRLCJRTJIS-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000944210462 663447664 /nfs/dbraw/zinc/44/76/64/663447664.db2.gz RDIZRVACBLZPRF-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194181 663449269 /nfs/dbraw/zinc/44/92/69/663449269.db2.gz MXQYSMMLSZUPNK-VHSXEESVSA-N 1 1 318.399 -2.010 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000995477133 663449640 /nfs/dbraw/zinc/44/96/40/663449640.db2.gz OBKYEATVRZIURR-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2=O)C1 ZINC000995475638 663449657 /nfs/dbraw/zinc/44/96/57/663449657.db2.gz RFXZMZIKJJISRZ-AAEUAGOBSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2=O)C1 ZINC000995475638 663449659 /nfs/dbraw/zinc/44/96/59/663449659.db2.gz RFXZMZIKJJISRZ-AAEUAGOBSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC000995480938 663450162 /nfs/dbraw/zinc/45/01/62/663450162.db2.gz DAMJARPEZRDLSO-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@H](C)C(=O)NC)C2)C1 ZINC001032196807 663450166 /nfs/dbraw/zinc/45/01/66/663450166.db2.gz CADZETCDVLUCKS-YPMHNXCESA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@H](C)C(=O)NC)C2)C1 ZINC001032196807 663450167 /nfs/dbraw/zinc/45/01/67/663450167.db2.gz CADZETCDVLUCKS-YPMHNXCESA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001032197685 663450194 /nfs/dbraw/zinc/45/01/94/663450194.db2.gz TZXWKKYVSNBAOR-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001032197685 663450199 /nfs/dbraw/zinc/45/01/99/663450199.db2.gz TZXWKKYVSNBAOR-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001032196805 663450376 /nfs/dbraw/zinc/45/03/76/663450376.db2.gz CADZETCDVLUCKS-WCQYABFASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001032196805 663450381 /nfs/dbraw/zinc/45/03/81/663450381.db2.gz CADZETCDVLUCKS-WCQYABFASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3nnnn3C)C2)C1 ZINC001032203084 663451488 /nfs/dbraw/zinc/45/14/88/663451488.db2.gz YVRJNFQLZBHQNA-LBPRGKRZSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3nnnn3C)C2)C1 ZINC001032203084 663451491 /nfs/dbraw/zinc/45/14/91/663451491.db2.gz YVRJNFQLZBHQNA-LBPRGKRZSA-N 1 1 323.401 -1.521 20 0 DAADMO COCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000944527389 663456805 /nfs/dbraw/zinc/45/68/05/663456805.db2.gz XLBJURMTQLZMTM-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000944527389 663456806 /nfs/dbraw/zinc/45/68/06/663456806.db2.gz XLBJURMTQLZMTM-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000944510027 663456900 /nfs/dbraw/zinc/45/69/00/663456900.db2.gz OHZCNYCNYPKENM-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000944510028 663457134 /nfs/dbraw/zinc/45/71/34/663457134.db2.gz OHZCNYCNYPKENM-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000944510026 663457152 /nfs/dbraw/zinc/45/71/52/663457152.db2.gz OHZCNYCNYPKENM-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2C)c(=O)n1C ZINC000944534116 663457817 /nfs/dbraw/zinc/45/78/17/663457817.db2.gz RVYOKBVIKFMHRY-ZYHUDNBSSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)c3cnon3)CCO2)C1 ZINC000944601322 663459321 /nfs/dbraw/zinc/45/93/21/663459321.db2.gz PHBCCGYTMYKWLC-QWRGUYRKSA-N 1 1 323.353 -1.022 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)n(C)c1=O ZINC001032211330 663460351 /nfs/dbraw/zinc/46/03/51/663460351.db2.gz KWBKUTWCXQZQNS-NSHDSACASA-N 1 1 321.381 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)C1 ZINC000944607707 663460371 /nfs/dbraw/zinc/46/03/71/663460371.db2.gz UAPPYUGBSWRGLA-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211865 663460373 /nfs/dbraw/zinc/46/03/73/663460373.db2.gz CICZCPKEDASTNU-VIFPVBQESA-N 1 1 309.370 -1.480 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)C1 ZINC000944607708 663460422 /nfs/dbraw/zinc/46/04/22/663460422.db2.gz UAPPYUGBSWRGLA-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635836 663460664 /nfs/dbraw/zinc/46/06/64/663460664.db2.gz UZXIINALHXNISN-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635836 663460666 /nfs/dbraw/zinc/46/06/66/663460666.db2.gz UZXIINALHXNISN-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635837 663460992 /nfs/dbraw/zinc/46/09/92/663460992.db2.gz UZXIINALHXNISN-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635837 663460993 /nfs/dbraw/zinc/46/09/93/663460993.db2.gz UZXIINALHXNISN-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC1(C)C ZINC000995552256 663461806 /nfs/dbraw/zinc/46/18/06/663461806.db2.gz QAWGPFUMVCIHSK-NXEZZACHSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3cn[nH]n3)C2)C1 ZINC000944663816 663462052 /nfs/dbraw/zinc/46/20/52/663462052.db2.gz IYPUZKYSYBODFY-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663816 663462055 /nfs/dbraw/zinc/46/20/55/663462055.db2.gz IYPUZKYSYBODFY-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663816 663462056 /nfs/dbraw/zinc/46/20/56/663462056.db2.gz IYPUZKYSYBODFY-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000944659751 663462292 /nfs/dbraw/zinc/46/22/92/663462292.db2.gz UILZSKAJTCGDQX-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3nnc[nH]3)C2)C1 ZINC000944717745 663464116 /nfs/dbraw/zinc/46/41/16/663464116.db2.gz NTTAELYMOZJRJW-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717745 663464120 /nfs/dbraw/zinc/46/41/20/663464120.db2.gz NTTAELYMOZJRJW-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717745 663464122 /nfs/dbraw/zinc/46/41/22/663464122.db2.gz NTTAELYMOZJRJW-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717745 663464125 /nfs/dbraw/zinc/46/41/25/663464125.db2.gz NTTAELYMOZJRJW-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717745 663464127 /nfs/dbraw/zinc/46/41/27/663464127.db2.gz NTTAELYMOZJRJW-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944787087 663467919 /nfs/dbraw/zinc/46/79/19/663467919.db2.gz AIGXWUMSUABNDG-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC000944812001 663468109 /nfs/dbraw/zinc/46/81/09/663468109.db2.gz RNXMPDBDTPKWCG-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000944814373 663468208 /nfs/dbraw/zinc/46/82/08/663468208.db2.gz YSGOBLZEUDYDDX-WDEREUQCSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789601 663468216 /nfs/dbraw/zinc/46/82/16/663468216.db2.gz LMCYAJJOICEAPM-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789601 663468217 /nfs/dbraw/zinc/46/82/17/663468217.db2.gz LMCYAJJOICEAPM-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811990 663468255 /nfs/dbraw/zinc/46/82/55/663468255.db2.gz RLGINQUQQBKACS-DTWKUNHWSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811990 663468257 /nfs/dbraw/zinc/46/82/57/663468257.db2.gz RLGINQUQQBKACS-DTWKUNHWSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908603 663469144 /nfs/dbraw/zinc/46/91/44/663469144.db2.gz ROJIOUZEUPMICK-WPRPVWTQSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908603 663469147 /nfs/dbraw/zinc/46/91/47/663469147.db2.gz ROJIOUZEUPMICK-WPRPVWTQSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944907581 663469238 /nfs/dbraw/zinc/46/92/38/663469238.db2.gz NUXWKUCGDXKXOZ-ONGXEEELSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944907577 663469442 /nfs/dbraw/zinc/46/94/42/663469442.db2.gz NUXWKUCGDXKXOZ-KOLCDFICSA-N 1 1 310.354 -1.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944938076 663469466 /nfs/dbraw/zinc/46/94/66/663469466.db2.gz HITXAMFWERNEPQ-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032227474 663469791 /nfs/dbraw/zinc/46/97/91/663469791.db2.gz TVPZGOLWTTXGLO-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038602636 663469904 /nfs/dbraw/zinc/46/99/04/663469904.db2.gz MSJONKUVSQLLDH-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038602636 663469906 /nfs/dbraw/zinc/46/99/06/663469906.db2.gz MSJONKUVSQLLDH-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183493 663471244 /nfs/dbraw/zinc/47/12/44/663471244.db2.gz RDZMSFRAZPICGU-RKDXNWHRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183493 663471245 /nfs/dbraw/zinc/47/12/45/663471245.db2.gz RDZMSFRAZPICGU-RKDXNWHRSA-N 1 1 323.357 -2.311 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nnc[nH]1 ZINC000945079122 663471341 /nfs/dbraw/zinc/47/13/41/663471341.db2.gz ZOZJNSBRDRIGFN-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945079122 663471343 /nfs/dbraw/zinc/47/13/43/663471343.db2.gz ZOZJNSBRDRIGFN-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945079122 663471346 /nfs/dbraw/zinc/47/13/46/663471346.db2.gz ZOZJNSBRDRIGFN-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945079122 663471351 /nfs/dbraw/zinc/47/13/51/663471351.db2.gz ZOZJNSBRDRIGFN-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945079122 663471355 /nfs/dbraw/zinc/47/13/55/663471355.db2.gz ZOZJNSBRDRIGFN-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945184640 663471575 /nfs/dbraw/zinc/47/15/75/663471575.db2.gz XDKVLSFIYQFQTE-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945179446 663471627 /nfs/dbraw/zinc/47/16/27/663471627.db2.gz JCCLTJCVKZSQKI-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225853 663472041 /nfs/dbraw/zinc/47/20/41/663472041.db2.gz VPIZNDWBGRRJRO-ZJUUUORDSA-N 1 1 309.370 -1.351 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225853 663472044 /nfs/dbraw/zinc/47/20/44/663472044.db2.gz VPIZNDWBGRRJRO-ZJUUUORDSA-N 1 1 309.370 -1.351 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000995680304 663472431 /nfs/dbraw/zinc/47/24/31/663472431.db2.gz YDOAIMSZELAGCD-SECBINFHSA-N 1 1 322.365 -1.682 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)C1 ZINC000995699898 663475129 /nfs/dbraw/zinc/47/51/29/663475129.db2.gz HXUIZVNYDUUHNO-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)C1 ZINC000995699898 663475131 /nfs/dbraw/zinc/47/51/31/663475131.db2.gz HXUIZVNYDUUHNO-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995707868 663477481 /nfs/dbraw/zinc/47/74/81/663477481.db2.gz AKUUNJOMWZINNE-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032270570 663477640 /nfs/dbraw/zinc/47/76/40/663477640.db2.gz JOPYKRXEPQRWFZ-SDDRHHMPSA-N 1 1 306.366 -1.218 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032270570 663477645 /nfs/dbraw/zinc/47/76/45/663477645.db2.gz JOPYKRXEPQRWFZ-SDDRHHMPSA-N 1 1 306.366 -1.218 20 0 DAADMO O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032279052 663478299 /nfs/dbraw/zinc/47/82/99/663478299.db2.gz YEPVYNXZNVBVJJ-SDDRHHMPSA-N 1 1 317.349 -1.027 20 0 DAADMO O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032279052 663478302 /nfs/dbraw/zinc/47/83/02/663478302.db2.gz YEPVYNXZNVBVJJ-SDDRHHMPSA-N 1 1 317.349 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2cnnn2C)CC1(C)C ZINC000995749105 663481830 /nfs/dbraw/zinc/48/18/30/663481830.db2.gz XMWGNYBJADBMEV-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2nccn2)CC1(C)C ZINC000995857681 663482345 /nfs/dbraw/zinc/48/23/45/663482345.db2.gz FWGVEZYJQMQSPR-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995793265 663482612 /nfs/dbraw/zinc/48/26/12/663482612.db2.gz BSFLNLIHWSHVAF-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000996064329 663483138 /nfs/dbraw/zinc/48/31/38/663483138.db2.gz IRBYQKROPYFIGD-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC000995968734 663483207 /nfs/dbraw/zinc/48/32/07/663483207.db2.gz JACXCSVJGVSFJN-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC000995968734 663483209 /nfs/dbraw/zinc/48/32/09/663483209.db2.gz JACXCSVJGVSFJN-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)n3)CC2(C)C)nn1 ZINC000996153974 663483493 /nfs/dbraw/zinc/48/34/93/663483493.db2.gz RVMZSDNJRJGYNW-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000996069301 663483748 /nfs/dbraw/zinc/48/37/48/663483748.db2.gz MXAIGJSCOPIVKR-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CC2(C)C)n1 ZINC000996214448 663484178 /nfs/dbraw/zinc/48/41/78/663484178.db2.gz QAVDZCFIXPPYLI-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015948020 663484629 /nfs/dbraw/zinc/48/46/29/663484629.db2.gz SEFFEUKPTUUXBJ-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000996259799 663484895 /nfs/dbraw/zinc/48/48/95/663484895.db2.gz QEUIEMSFHADYJY-IAQYHMDHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000996259805 663484916 /nfs/dbraw/zinc/48/49/16/663484916.db2.gz QEUIEMSFHADYJY-NHYWBVRUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996285747 663485495 /nfs/dbraw/zinc/48/54/95/663485495.db2.gz XZLJQHXPCIAWSX-BMIGLBTASA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cncc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000996444075 663486518 /nfs/dbraw/zinc/48/65/18/663486518.db2.gz QPVHKEOYIBKDFV-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cncc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000996444075 663486520 /nfs/dbraw/zinc/48/65/20/663486520.db2.gz QPVHKEOYIBKDFV-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000996435981 663486533 /nfs/dbraw/zinc/48/65/33/663486533.db2.gz MPJHNBPZESZZRZ-KOLCDFICSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000996443573 663486558 /nfs/dbraw/zinc/48/65/58/663486558.db2.gz UDTMEMDDYMRSTA-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000996428340 663487004 /nfs/dbraw/zinc/48/70/04/663487004.db2.gz BVMJUJZLKTXMPR-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000996443571 663487089 /nfs/dbraw/zinc/48/70/89/663487089.db2.gz UDTMEMDDYMRSTA-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996474365 663487524 /nfs/dbraw/zinc/48/75/24/663487524.db2.gz YDTVCNUYJHASHJ-UHFFFAOYSA-N 1 1 304.354 -1.230 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)n1 ZINC000996657429 663489645 /nfs/dbraw/zinc/48/96/45/663489645.db2.gz KGZRVAZTGZTZHN-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001032312883 663489695 /nfs/dbraw/zinc/48/96/95/663489695.db2.gz AKVRMDLQQIPPOZ-SDDRHHMPSA-N 1 1 320.397 -1.012 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001032316227 663490486 /nfs/dbraw/zinc/49/04/86/663490486.db2.gz LZBHFLGYBHULFE-NNYUYHANSA-N 1 1 306.366 -1.219 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001032316227 663490487 /nfs/dbraw/zinc/49/04/87/663490487.db2.gz LZBHFLGYBHULFE-NNYUYHANSA-N 1 1 306.366 -1.219 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032325352 663492541 /nfs/dbraw/zinc/49/25/41/663492541.db2.gz KKWNCCGCVCAQAA-SDDRHHMPSA-N 1 1 307.354 -1.596 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001032323443 663492563 /nfs/dbraw/zinc/49/25/63/663492563.db2.gz DAYMBXCUCVJLHM-SDDRHHMPSA-N 1 1 324.381 -1.870 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001032323443 663492566 /nfs/dbraw/zinc/49/25/66/663492566.db2.gz DAYMBXCUCVJLHM-SDDRHHMPSA-N 1 1 324.381 -1.870 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001032324741 663492821 /nfs/dbraw/zinc/49/28/21/663492821.db2.gz UATISBSIJFSBJK-IUCAKERBSA-N 1 1 309.326 -2.301 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001032324741 663492824 /nfs/dbraw/zinc/49/28/24/663492824.db2.gz UATISBSIJFSBJK-IUCAKERBSA-N 1 1 309.326 -2.301 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@]3(C)CNC(=O)C3)CC2)n1 ZINC000996828142 663494696 /nfs/dbraw/zinc/49/46/96/663494696.db2.gz VKNUZXGJKNHWBS-AWEZNQCLSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)c2cn(C)c(=O)n(C)c2=O)n1C ZINC000735053524 663495306 /nfs/dbraw/zinc/49/53/06/663495306.db2.gz GPZSJDUUDSFZHG-UHFFFAOYSA-N 1 1 320.353 -1.187 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)n1 ZINC000996881075 663496359 /nfs/dbraw/zinc/49/63/59/663496359.db2.gz PQRUARMBMFVOQW-QWRGUYRKSA-N 1 1 321.385 -1.198 20 0 DAADMO O=C(CCc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032341661 663496870 /nfs/dbraw/zinc/49/68/70/663496870.db2.gz FHNOPOJHPQOCAG-GARJFASQSA-N 1 1 304.354 -1.089 20 0 DAADMO O=C(CCc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032341661 663496873 /nfs/dbraw/zinc/49/68/73/663496873.db2.gz FHNOPOJHPQOCAG-GARJFASQSA-N 1 1 304.354 -1.089 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)n1 ZINC000996895713 663497338 /nfs/dbraw/zinc/49/73/38/663497338.db2.gz DOUXTDCBSKTFDJ-NSHDSACASA-N 1 1 321.385 -1.089 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032361120 663499593 /nfs/dbraw/zinc/49/95/93/663499593.db2.gz DUAMVFCHGXUOEJ-RWMBFGLXSA-N 1 1 308.382 -1.508 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032361120 663499596 /nfs/dbraw/zinc/49/95/96/663499596.db2.gz DUAMVFCHGXUOEJ-RWMBFGLXSA-N 1 1 308.382 -1.508 20 0 DAADMO COCC(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997053564 663501598 /nfs/dbraw/zinc/50/15/98/663501598.db2.gz LDJWZYSYKQTOMY-WBFHCKIUSA-N 1 1 309.366 -1.177 20 0 DAADMO COCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997053557 663501887 /nfs/dbraw/zinc/50/18/87/663501887.db2.gz LDJWZYSYKQTOMY-JYHUIVOISA-N 1 1 309.366 -1.177 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032375023 663502817 /nfs/dbraw/zinc/50/28/17/663502817.db2.gz SBCGLCIAMLJTPX-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032375023 663502819 /nfs/dbraw/zinc/50/28/19/663502819.db2.gz SBCGLCIAMLJTPX-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997104901 663503058 /nfs/dbraw/zinc/50/30/58/663503058.db2.gz BDEQDXCGOYHJLE-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cnon1 ZINC000946146626 663505543 /nfs/dbraw/zinc/50/55/43/663505543.db2.gz IDTSIDOJUKLUPC-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)Cc3nnc[nH]3)CC2)n1 ZINC000997160843 663506789 /nfs/dbraw/zinc/50/67/89/663506789.db2.gz LNEADNLCLPWOKW-UHFFFAOYSA-N 1 1 305.346 -1.349 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412313 663507256 /nfs/dbraw/zinc/50/72/56/663507256.db2.gz SBILGBRPYIODMV-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000736660510 663507502 /nfs/dbraw/zinc/50/75/02/663507502.db2.gz IQLWDOIAJIQHLM-NSHDSACASA-N 1 1 322.431 -1.054 20 0 DAADMO Cc1n[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000997281142 663509050 /nfs/dbraw/zinc/50/90/50/663509050.db2.gz GPAQJZKCTLTUCE-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000997281142 663509051 /nfs/dbraw/zinc/50/90/51/663509051.db2.gz GPAQJZKCTLTUCE-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988547 663509432 /nfs/dbraw/zinc/50/94/32/663509432.db2.gz ZOPNCQFBDNWDCP-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988547 663509436 /nfs/dbraw/zinc/50/94/36/663509436.db2.gz ZOPNCQFBDNWDCP-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000997339919 663509725 /nfs/dbraw/zinc/50/97/25/663509725.db2.gz QKBCEGJCSLWKJH-JTQLQIEISA-N 1 1 308.342 -1.616 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000997339919 663509728 /nfs/dbraw/zinc/50/97/28/663509728.db2.gz QKBCEGJCSLWKJH-JTQLQIEISA-N 1 1 308.342 -1.616 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)C1 ZINC000997354795 663510303 /nfs/dbraw/zinc/51/03/03/663510303.db2.gz WLHFUAFMFKBDNT-LLVKDONJSA-N 1 1 322.369 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)C1 ZINC000997354795 663510306 /nfs/dbraw/zinc/51/03/06/663510306.db2.gz WLHFUAFMFKBDNT-LLVKDONJSA-N 1 1 322.369 -1.226 20 0 DAADMO COCCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1=O ZINC001032434235 663510910 /nfs/dbraw/zinc/51/09/10/663510910.db2.gz XNFQIUFPTVPVHC-AVGNSLFASA-N 1 1 311.382 -1.241 20 0 DAADMO COCCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1=O ZINC001032434235 663510911 /nfs/dbraw/zinc/51/09/11/663510911.db2.gz XNFQIUFPTVPVHC-AVGNSLFASA-N 1 1 311.382 -1.241 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032444430 663511118 /nfs/dbraw/zinc/51/11/18/663511118.db2.gz YNCOXIPLFXFMCH-AVGNSLFASA-N 1 1 320.397 -1.416 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O ZINC001032434429 663511154 /nfs/dbraw/zinc/51/11/54/663511154.db2.gz HAORAJOLLHOWIG-SRVKXCTJSA-N 1 1 317.411 -1.312 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032452551 663511324 /nfs/dbraw/zinc/51/13/24/663511324.db2.gz DGOAFSKPFNZTFC-RHYQMDGZSA-N 1 1 322.365 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC000997390579 663512167 /nfs/dbraw/zinc/51/21/67/663512167.db2.gz QVOPYFQBJZERPM-LBPRGKRZSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1)C1CCC1 ZINC000997437407 663514214 /nfs/dbraw/zinc/51/42/14/663514214.db2.gz VPDUTTYNAOGIAH-LBPRGKRZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997413964 663515535 /nfs/dbraw/zinc/51/55/35/663515535.db2.gz AKGSPYGQKQEYEJ-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997414475 663515602 /nfs/dbraw/zinc/51/56/02/663515602.db2.gz CYJKIAUVXUNYPD-GFCCVEGCSA-N 1 1 324.381 -1.828 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997413960 663515719 /nfs/dbraw/zinc/51/57/19/663515719.db2.gz AKGSPYGQKQEYEJ-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997428750 663516753 /nfs/dbraw/zinc/51/67/53/663516753.db2.gz ZYJHFFJSPFIFCL-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997428961 663517070 /nfs/dbraw/zinc/51/70/70/663517070.db2.gz CACSXXDZEGXZQI-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000997441236 663517849 /nfs/dbraw/zinc/51/78/49/663517849.db2.gz ISYPIKVVBSWKGT-GHMZBOCLSA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000997447122 663518715 /nfs/dbraw/zinc/51/87/15/663518715.db2.gz HVRIOENCGXJIPY-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000997449647 663519119 /nfs/dbraw/zinc/51/91/19/663519119.db2.gz XUCSWKYPCQKBQF-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000997451326 663519365 /nfs/dbraw/zinc/51/93/65/663519365.db2.gz NKAKEFHGKQZUTR-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 ZINC001032485151 663519741 /nfs/dbraw/zinc/51/97/41/663519741.db2.gz BWGYSCVXWZIXGC-AGIUHOORSA-N 1 1 310.398 -1.574 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997451366 663519745 /nfs/dbraw/zinc/51/97/45/663519745.db2.gz NRSSQYQRBLCZFW-ONGXEEELSA-N 1 1 309.370 -1.711 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000947925224 663519791 /nfs/dbraw/zinc/51/97/91/663519791.db2.gz LVZXYRPTCOEWTG-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3CN(C)C(=O)N3)C2)CC[N@H+]1C ZINC000997452448 663519860 /nfs/dbraw/zinc/51/98/60/663519860.db2.gz QZCODMMBRFXDIN-YUSALJHKSA-N 1 1 323.397 -1.323 20 0 DAADMO O=C([C@@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032484629 663519917 /nfs/dbraw/zinc/51/99/17/663519917.db2.gz MAPDUIPWKSOAPO-VWYCJHECSA-N 1 1 307.354 -1.177 20 0 DAADMO O=C([C@@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032484629 663519918 /nfs/dbraw/zinc/51/99/18/663519918.db2.gz MAPDUIPWKSOAPO-VWYCJHECSA-N 1 1 307.354 -1.177 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCOC2)c1=O ZINC001032486301 663520099 /nfs/dbraw/zinc/52/00/99/663520099.db2.gz NISDIIUSXXAHHY-AVGNSLFASA-N 1 1 321.381 -1.097 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1 ZINC001032494510 663520781 /nfs/dbraw/zinc/52/07/81/663520781.db2.gz GGUKIIWNYRHYOQ-SRVKXCTJSA-N 1 1 317.353 -1.039 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001032494510 663520786 /nfs/dbraw/zinc/52/07/86/663520786.db2.gz GGUKIIWNYRHYOQ-SRVKXCTJSA-N 1 1 317.353 -1.039 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000997524254 663520830 /nfs/dbraw/zinc/52/08/30/663520830.db2.gz PZTRLLKFRAMZGY-UHFFFAOYSA-N 1 1 320.361 -1.775 20 0 DAADMO CCO[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)C[NH+](C)C ZINC000921636714 663521211 /nfs/dbraw/zinc/52/12/11/663521211.db2.gz QAFGBPNGTCNYQE-JTQLQIEISA-N 1 1 316.445 -1.083 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001032503109 663521340 /nfs/dbraw/zinc/52/13/40/663521340.db2.gz FYAYMSSUESJRPG-DCAQKATOSA-N 1 1 308.338 -1.385 20 0 DAADMO O=C(CN1CCCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032497413 663521552 /nfs/dbraw/zinc/52/15/52/663521552.db2.gz JKUNWDNTNFRBLB-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(CN1CCCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032497413 663521553 /nfs/dbraw/zinc/52/15/53/663521553.db2.gz JKUNWDNTNFRBLB-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032523132 663522048 /nfs/dbraw/zinc/52/20/48/663522048.db2.gz NTKOHPPUPVEFMK-RYUDHWBXSA-N 1 1 317.411 -1.311 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032523132 663522051 /nfs/dbraw/zinc/52/20/51/663522051.db2.gz NTKOHPPUPVEFMK-RYUDHWBXSA-N 1 1 317.411 -1.311 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c1=O ZINC001032538276 663523253 /nfs/dbraw/zinc/52/32/53/663523253.db2.gz OTDIKGBBGMXCFR-RYUDHWBXSA-N 1 1 309.370 -1.361 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997765319 663524916 /nfs/dbraw/zinc/52/49/16/663524916.db2.gz YQGXWTHXYVGJBJ-JTQLQIEISA-N 1 1 323.353 -2.041 20 0 DAADMO Cn1cnc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)n1 ZINC000997752157 663524958 /nfs/dbraw/zinc/52/49/58/663524958.db2.gz IIBZBDSNMSUQRF-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001016048259 663525466 /nfs/dbraw/zinc/52/54/66/663525466.db2.gz XDQZPEGOOUDESV-MNOVXSKESA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001016048259 663525470 /nfs/dbraw/zinc/52/54/70/663525470.db2.gz XDQZPEGOOUDESV-MNOVXSKESA-N 1 1 307.354 -1.384 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056164 663526219 /nfs/dbraw/zinc/52/62/19/663526219.db2.gz FXPAMDDBVVRTNN-VXGBXAGGSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056164 663526220 /nfs/dbraw/zinc/52/62/20/663526220.db2.gz FXPAMDDBVVRTNN-VXGBXAGGSA-N 1 1 321.381 -1.123 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)O1 ZINC000997826651 663527798 /nfs/dbraw/zinc/52/77/98/663527798.db2.gz DOUOYYDDFRHBLR-LDMBFOFVSA-N 1 1 324.381 -1.561 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)O1 ZINC000997826651 663527800 /nfs/dbraw/zinc/52/78/00/663527800.db2.gz DOUOYYDDFRHBLR-LDMBFOFVSA-N 1 1 324.381 -1.561 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000997868415 663529282 /nfs/dbraw/zinc/52/92/82/663529282.db2.gz VKQMCYVCAJXUSP-VIFPVBQESA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997873396 663529782 /nfs/dbraw/zinc/52/97/82/663529782.db2.gz QHOCMECRFRDFGK-VIFPVBQESA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000997873215 663529841 /nfs/dbraw/zinc/52/98/41/663529841.db2.gz MUKDZSLTXPCIGH-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)O1 ZINC000997876564 663530425 /nfs/dbraw/zinc/53/04/25/663530425.db2.gz AMUVSKILODUPRN-PSASIEDQSA-N 1 1 323.357 -2.130 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)O1 ZINC000997876564 663530432 /nfs/dbraw/zinc/53/04/32/663530432.db2.gz AMUVSKILODUPRN-PSASIEDQSA-N 1 1 323.357 -2.130 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997876760 663530443 /nfs/dbraw/zinc/53/04/43/663530443.db2.gz WKAPCUMOEVCYIS-UHFFFAOYSA-N 1 1 304.314 -1.644 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000997916784 663531707 /nfs/dbraw/zinc/53/17/07/663531707.db2.gz OPYKWRPCYNDDPA-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000997916784 663531708 /nfs/dbraw/zinc/53/17/08/663531708.db2.gz OPYKWRPCYNDDPA-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997945444 663533900 /nfs/dbraw/zinc/53/39/00/663533900.db2.gz NPPZOOIYQNGKIN-RFQIPJPRSA-N 1 1 323.393 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997945444 663533903 /nfs/dbraw/zinc/53/39/03/663533903.db2.gz NPPZOOIYQNGKIN-RFQIPJPRSA-N 1 1 323.393 -1.074 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000997950515 663533963 /nfs/dbraw/zinc/53/39/63/663533963.db2.gz ZEFREOIFXPCVLQ-ZYHUDNBSSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032591357 663534230 /nfs/dbraw/zinc/53/42/30/663534230.db2.gz GKXNNQJVOWRFQQ-QXEWZRGKSA-N 1 1 303.322 -1.443 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032591357 663534234 /nfs/dbraw/zinc/53/42/34/663534234.db2.gz GKXNNQJVOWRFQQ-QXEWZRGKSA-N 1 1 303.322 -1.443 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC000998014747 663534529 /nfs/dbraw/zinc/53/45/29/663534529.db2.gz IGCBORFJUYVPEQ-SNVBAGLBSA-N 1 1 322.373 -1.780 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032587515 663534541 /nfs/dbraw/zinc/53/45/41/663534541.db2.gz JREZPPOQZRWIQR-RWMBFGLXSA-N 1 1 310.398 -1.134 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032587515 663534543 /nfs/dbraw/zinc/53/45/43/663534543.db2.gz JREZPPOQZRWIQR-RWMBFGLXSA-N 1 1 310.398 -1.134 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 ZINC000997962814 663534598 /nfs/dbraw/zinc/53/45/98/663534598.db2.gz SIHHYWHIZSNMIV-NSHDSACASA-N 1 1 321.385 -1.326 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032595718 663535232 /nfs/dbraw/zinc/53/52/32/663535232.db2.gz XQCCUSYHFDUINC-GARJFASQSA-N 1 1 322.369 -2.022 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032595718 663535235 /nfs/dbraw/zinc/53/52/35/663535235.db2.gz XQCCUSYHFDUINC-GARJFASQSA-N 1 1 322.369 -2.022 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cnoc3)C2)C1 ZINC000998065287 663535734 /nfs/dbraw/zinc/53/57/34/663535734.db2.gz UKEBCMORENLLBV-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cnoc3)C2)C1 ZINC000998065287 663535737 /nfs/dbraw/zinc/53/57/37/663535737.db2.gz UKEBCMORENLLBV-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1 ZINC000998138105 663536629 /nfs/dbraw/zinc/53/66/29/663536629.db2.gz YXNGIIICECCDRN-FZMZJTMJSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1 ZINC000998138105 663536632 /nfs/dbraw/zinc/53/66/32/663536632.db2.gz YXNGIIICECCDRN-FZMZJTMJSA-N 1 1 315.345 -1.227 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1C ZINC000998165107 663537650 /nfs/dbraw/zinc/53/76/50/663537650.db2.gz RYQQELIYWDIWRD-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1C ZINC000998165107 663537653 /nfs/dbraw/zinc/53/76/53/663537653.db2.gz RYQQELIYWDIWRD-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccncn3)C2)C1 ZINC000998190270 663537759 /nfs/dbraw/zinc/53/77/59/663537759.db2.gz UAIAGQLQPMBNQW-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccncn3)C2)C1 ZINC000998190270 663537762 /nfs/dbraw/zinc/53/77/62/663537762.db2.gz UAIAGQLQPMBNQW-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)CCC(=O)N1 ZINC001032609480 663538436 /nfs/dbraw/zinc/53/84/36/663538436.db2.gz VFMSRUJJGXPLGQ-ZVXAKGHKSA-N 1 1 306.366 -1.171 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)CCC(=O)N1 ZINC001032609480 663538437 /nfs/dbraw/zinc/53/84/37/663538437.db2.gz VFMSRUJJGXPLGQ-ZVXAKGHKSA-N 1 1 306.366 -1.171 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(N)=O ZINC000946493751 663539325 /nfs/dbraw/zinc/53/93/25/663539325.db2.gz VSJCJJWAVFUYAK-OPRDCNLKSA-N 1 1 314.342 -2.856 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(N)=O ZINC000946493751 663539329 /nfs/dbraw/zinc/53/93/29/663539329.db2.gz VSJCJJWAVFUYAK-OPRDCNLKSA-N 1 1 314.342 -2.856 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032618334 663540139 /nfs/dbraw/zinc/54/01/39/663540139.db2.gz SLRKSHVRHZBECV-YUMQZZPRSA-N 1 1 315.355 -2.052 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032618334 663540141 /nfs/dbraw/zinc/54/01/41/663540141.db2.gz SLRKSHVRHZBECV-YUMQZZPRSA-N 1 1 315.355 -2.052 20 0 DAADMO CO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1NC(=O)C(N)=O ZINC000946503256 663540261 /nfs/dbraw/zinc/54/02/61/663540261.db2.gz PYVNXFZEWCGFOE-NXEZZACHSA-N 1 1 309.326 -1.981 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032630713 663541298 /nfs/dbraw/zinc/54/12/98/663541298.db2.gz AGWBGORLOIYUFK-YFKTTZPYSA-N 1 1 304.354 -1.315 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032630713 663541301 /nfs/dbraw/zinc/54/13/01/663541301.db2.gz AGWBGORLOIYUFK-YFKTTZPYSA-N 1 1 304.354 -1.315 20 0 DAADMO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001032631261 663541340 /nfs/dbraw/zinc/54/13/40/663541340.db2.gz KDTUOUPXHHCRIZ-AVGNSLFASA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)n1 ZINC001032631261 663541342 /nfs/dbraw/zinc/54/13/42/663541342.db2.gz KDTUOUPXHHCRIZ-AVGNSLFASA-N 1 1 318.381 -1.079 20 0 DAADMO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001032631870 663541438 /nfs/dbraw/zinc/54/14/38/663541438.db2.gz CWCWIPKTCNEWNP-HOTUBEGUSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001032631870 663541440 /nfs/dbraw/zinc/54/14/40/663541440.db2.gz CWCWIPKTCNEWNP-HOTUBEGUSA-N 1 1 317.349 -1.099 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998385652 663541490 /nfs/dbraw/zinc/54/14/90/663541490.db2.gz ZGXKUMCKCHLRAD-LLVKDONJSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998385652 663541492 /nfs/dbraw/zinc/54/14/92/663541492.db2.gz ZGXKUMCKCHLRAD-LLVKDONJSA-N 1 1 307.354 -1.390 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998388147 663541970 /nfs/dbraw/zinc/54/19/70/663541970.db2.gz ZWHORXAAQHEGDE-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998388147 663541974 /nfs/dbraw/zinc/54/19/74/663541974.db2.gz ZWHORXAAQHEGDE-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998485753 663542802 /nfs/dbraw/zinc/54/28/02/663542802.db2.gz UBFKUHPNUWNOOU-ILDUYXDCSA-N 1 1 310.358 -1.296 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000998491862 663543161 /nfs/dbraw/zinc/54/31/61/663543161.db2.gz XAJNJUVUESXEGI-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998487954 663543277 /nfs/dbraw/zinc/54/32/77/663543277.db2.gz GAVUIRYMKHTKSP-VIFPVBQESA-N 1 1 306.334 -2.023 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC1CN(C(=O)C(N)=O)C1)CC2 ZINC000998569673 663543556 /nfs/dbraw/zinc/54/35/56/663543556.db2.gz KDVYJPXTQQBLLX-SECBINFHSA-N 1 1 305.338 -1.434 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)n1 ZINC000998664465 663544802 /nfs/dbraw/zinc/54/48/02/663544802.db2.gz FUJZRBAWCPVCDH-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998670807 663546714 /nfs/dbraw/zinc/54/67/14/663546714.db2.gz JSVSTGRRDUKOEV-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998677170 663548297 /nfs/dbraw/zinc/54/82/97/663548297.db2.gz IQUFKAUHPVQGMJ-SNVBAGLBSA-N 1 1 306.326 -1.800 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998678935 663548469 /nfs/dbraw/zinc/54/84/69/663548469.db2.gz ATUGHJDSKZFGMH-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000998704790 663549859 /nfs/dbraw/zinc/54/98/59/663549859.db2.gz NZUCRVGWOCARIC-MHMQJKDYSA-N 1 1 308.338 -2.338 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000998704789 663549887 /nfs/dbraw/zinc/54/98/87/663549887.db2.gz NZUCRVGWOCARIC-CFEOFWIRSA-N 1 1 308.338 -2.338 20 0 DAADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC(NC(=O)C(N)=O)C2)n[nH]1 ZINC000998722836 663551263 /nfs/dbraw/zinc/55/12/63/663551263.db2.gz OEISKRWTQDCHFB-LLVKDONJSA-N 1 1 320.353 -1.398 20 0 DAADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC(NC(=O)C(N)=O)C2)n[nH]1 ZINC000998722836 663551266 /nfs/dbraw/zinc/55/12/66/663551266.db2.gz OEISKRWTQDCHFB-LLVKDONJSA-N 1 1 320.353 -1.398 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998724780 663551561 /nfs/dbraw/zinc/55/15/61/663551561.db2.gz ICXCZYYACYQZEE-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000998785618 663552355 /nfs/dbraw/zinc/55/23/55/663552355.db2.gz ZBGHHFRHZUWVPN-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000998785618 663552358 /nfs/dbraw/zinc/55/23/58/663552358.db2.gz ZBGHHFRHZUWVPN-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO Cn1nnc(CN[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000998826405 663552768 /nfs/dbraw/zinc/55/27/68/663552768.db2.gz OSOBPKPHMFAYFU-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000998826405 663552770 /nfs/dbraw/zinc/55/27/70/663552770.db2.gz OSOBPKPHMFAYFU-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998813672 663552884 /nfs/dbraw/zinc/55/28/84/663552884.db2.gz XGUVFODTTKDBCA-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CC([NH2+]Cc2cnon2)C1 ZINC000998914736 663553257 /nfs/dbraw/zinc/55/32/57/663553257.db2.gz FUJATGGPRILHPN-GDRRJGKNSA-N 1 1 322.325 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000998965441 663553645 /nfs/dbraw/zinc/55/36/45/663553645.db2.gz RGIVLWXPDWOCTN-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC000999140041 663555849 /nfs/dbraw/zinc/55/58/49/663555849.db2.gz WEFYLRBVYNKLFM-JTQLQIEISA-N 1 1 319.373 -1.040 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999165858 663556702 /nfs/dbraw/zinc/55/67/02/663556702.db2.gz VHFJBVREPANTTL-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000999167234 663556940 /nfs/dbraw/zinc/55/69/40/663556940.db2.gz ZIZQDJMXFFLRNH-ZJUUUORDSA-N 1 1 320.361 -1.462 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001032652905 663557082 /nfs/dbraw/zinc/55/70/82/663557082.db2.gz FXFPBMYGLJYKKQ-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)C1 ZINC000999184168 663557265 /nfs/dbraw/zinc/55/72/65/663557265.db2.gz KHEWBHHOCPEXOV-SNVBAGLBSA-N 1 1 311.317 -1.180 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)C1 ZINC000999184168 663557270 /nfs/dbraw/zinc/55/72/70/663557270.db2.gz KHEWBHHOCPEXOV-SNVBAGLBSA-N 1 1 311.317 -1.180 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032653596 663557399 /nfs/dbraw/zinc/55/73/99/663557399.db2.gz ZPZZRYLOTIPUKA-XKNYDFJKSA-N 1 1 321.337 -2.242 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032653596 663557401 /nfs/dbraw/zinc/55/74/01/663557401.db2.gz ZPZZRYLOTIPUKA-XKNYDFJKSA-N 1 1 321.337 -2.242 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000999168385 663557427 /nfs/dbraw/zinc/55/74/27/663557427.db2.gz AUMXJYDUMVDCKE-JTQLQIEISA-N 1 1 305.346 -1.120 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032653595 663557473 /nfs/dbraw/zinc/55/74/73/663557473.db2.gz ZPZZRYLOTIPUKA-AATLWQCWSA-N 1 1 321.337 -2.242 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032653595 663557475 /nfs/dbraw/zinc/55/74/75/663557475.db2.gz ZPZZRYLOTIPUKA-AATLWQCWSA-N 1 1 321.337 -2.242 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032682981 663558605 /nfs/dbraw/zinc/55/86/05/663558605.db2.gz SLBKJSGKGUZAPU-JBLDHEPKSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032682981 663558607 /nfs/dbraw/zinc/55/86/07/663558607.db2.gz SLBKJSGKGUZAPU-JBLDHEPKSA-N 1 1 304.354 -1.008 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1 ZINC001032690529 663558804 /nfs/dbraw/zinc/55/88/04/663558804.db2.gz MAYJCXSEWYRONM-SRVKXCTJSA-N 1 1 317.353 -1.039 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001032690529 663558808 /nfs/dbraw/zinc/55/88/08/663558808.db2.gz MAYJCXSEWYRONM-SRVKXCTJSA-N 1 1 317.353 -1.039 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032698153 663558883 /nfs/dbraw/zinc/55/88/83/663558883.db2.gz IYRMGMIXODHNDW-SRVKXCTJSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032687131 663558908 /nfs/dbraw/zinc/55/89/08/663558908.db2.gz UTLHYWNZBFDHNH-SRVKXCTJSA-N 1 1 322.365 -1.140 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256524 663559191 /nfs/dbraw/zinc/55/91/91/663559191.db2.gz JXUJDAQWRURZES-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000999300016 663559873 /nfs/dbraw/zinc/55/98/73/663559873.db2.gz WSVBROBDZJAODL-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140831 663559918 /nfs/dbraw/zinc/55/99/18/663559918.db2.gz KRNAJXNPSHFFHS-ONGXEEELSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140831 663559925 /nfs/dbraw/zinc/55/99/25/663559925.db2.gz KRNAJXNPSHFFHS-ONGXEEELSA-N 1 1 324.385 -1.785 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999396401 663560857 /nfs/dbraw/zinc/56/08/57/663560857.db2.gz IZHPNOZTIFKCCS-SCZZXKLOSA-N 1 1 322.325 -1.252 20 0 DAADMO CN(C(=O)C[C@@H]1CCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999543735 663561513 /nfs/dbraw/zinc/56/15/13/663561513.db2.gz GQINCAIEUGMCCV-WHXUTIOJSA-N 1 1 321.385 -1.042 20 0 DAADMO CN(C(=O)[C@@H]1CCc2[nH]nnc2C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999681732 663562491 /nfs/dbraw/zinc/56/24/91/663562491.db2.gz AIFZNSZULHZNRY-XNWIYYODSA-N 1 1 306.370 -1.026 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nn[nH]c2C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999681732 663562492 /nfs/dbraw/zinc/56/24/92/663562492.db2.gz AIFZNSZULHZNRY-XNWIYYODSA-N 1 1 306.370 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999801710 663565433 /nfs/dbraw/zinc/56/54/33/663565433.db2.gz YOQUPULFVUWGIZ-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999801710 663565443 /nfs/dbraw/zinc/56/54/43/663565443.db2.gz YOQUPULFVUWGIZ-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000999802853 663565543 /nfs/dbraw/zinc/56/55/43/663565543.db2.gz HWXHWBPIOYKBKA-GRYCIOLGSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000999847621 663566574 /nfs/dbraw/zinc/56/65/74/663566574.db2.gz LJPOGYPPQBSLAW-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000999788889 663566763 /nfs/dbraw/zinc/56/67/63/663566763.db2.gz GXUVYIRMJQARBR-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999835405 663567019 /nfs/dbraw/zinc/56/70/19/663567019.db2.gz AYWQQMXCPFINAL-ONGXEEELSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000999856810 663567239 /nfs/dbraw/zinc/56/72/39/663567239.db2.gz JXHKLSYFGFUVKK-MWLCHTKSSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000999886965 663567382 /nfs/dbraw/zinc/56/73/82/663567382.db2.gz CQKOLDFPCAJZEC-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000999885886 663567473 /nfs/dbraw/zinc/56/74/73/663567473.db2.gz OBBULVHITPBDJB-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885886 663567477 /nfs/dbraw/zinc/56/74/77/663567477.db2.gz OBBULVHITPBDJB-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885886 663567479 /nfs/dbraw/zinc/56/74/79/663567479.db2.gz OBBULVHITPBDJB-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000999886059 663567485 /nfs/dbraw/zinc/56/74/85/663567485.db2.gz COKLNSBXZGPMGL-UWVGGRQHSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000999886923 663567515 /nfs/dbraw/zinc/56/75/15/663567515.db2.gz QOKPKTHXGHXBNW-CMPLNLGQSA-N 1 1 306.370 -1.197 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC000999889744 663567522 /nfs/dbraw/zinc/56/75/22/663567522.db2.gz KIVUIFANGJDOSC-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000999887536 663567545 /nfs/dbraw/zinc/56/75/45/663567545.db2.gz FEIHLOLDTZWLFL-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000999887544 663567701 /nfs/dbraw/zinc/56/77/01/663567701.db2.gz FEIHLOLDTZWLFL-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000999874066 663567943 /nfs/dbraw/zinc/56/79/43/663567943.db2.gz ZPEUCUUDXLJCRD-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000999865300 663568439 /nfs/dbraw/zinc/56/84/39/663568439.db2.gz HXIUVYBAIUWSML-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000999876360 663568525 /nfs/dbraw/zinc/56/85/25/663568525.db2.gz HENKYRNFJHGOMO-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000999865055 663568567 /nfs/dbraw/zinc/56/85/67/663568567.db2.gz RUPGYWJDCMPATN-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999883743 663568692 /nfs/dbraw/zinc/56/86/92/663568692.db2.gz KOPWYWFLHRSTBA-ZYHUDNBSSA-N 1 1 321.385 -1.412 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CN(C(=O)C(N)=O)C1)C2 ZINC000999879042 663568934 /nfs/dbraw/zinc/56/89/34/663568934.db2.gz GGQVCSPDRLFCBC-SECBINFHSA-N 1 1 305.338 -1.434 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999907566 663569313 /nfs/dbraw/zinc/56/93/13/663569313.db2.gz XRLNGYWQISVLHF-WCBMZHEXSA-N 1 1 307.358 -1.652 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999917226 663569765 /nfs/dbraw/zinc/56/97/65/663569765.db2.gz MITUNBNCNJWCAV-WCQGTBRESA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)n1 ZINC000999921704 663569809 /nfs/dbraw/zinc/56/98/09/663569809.db2.gz NKFRMWUGYQBBHT-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000999923957 663570236 /nfs/dbraw/zinc/57/02/36/663570236.db2.gz USGXPXWQIFCMNF-MRVPVSSYSA-N 1 1 306.334 -1.872 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999922739 663570280 /nfs/dbraw/zinc/57/02/80/663570280.db2.gz QAIPYMCBCKKDES-DTWKUNHWSA-N 1 1 320.361 -1.311 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000999923958 663570335 /nfs/dbraw/zinc/57/03/35/663570335.db2.gz USGXPXWQIFCMNF-QMMMGPOBSA-N 1 1 306.334 -1.872 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999925695 663570687 /nfs/dbraw/zinc/57/06/87/663570687.db2.gz FUQYNHCSLGBTHV-JLLWLGSASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC[N@H+]1C ZINC000999940621 663570883 /nfs/dbraw/zinc/57/08/83/663570883.db2.gz VLVJKASTCFMKJW-HKWIRBFKSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962953 663571575 /nfs/dbraw/zinc/57/15/75/663571575.db2.gz OZLJPHSCFUAYCQ-CMPLNLGQSA-N 1 1 322.369 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962953 663571577 /nfs/dbraw/zinc/57/15/77/663571577.db2.gz OZLJPHSCFUAYCQ-CMPLNLGQSA-N 1 1 322.369 -1.337 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CCC(=O)N1 ZINC000999964192 663571690 /nfs/dbraw/zinc/57/16/90/663571690.db2.gz VXOUOXZCOJEWDP-NWDGAFQWSA-N 1 1 322.369 -1.588 20 0 DAADMO Cc1nn[nH]c1C(=O)NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000014792 663571876 /nfs/dbraw/zinc/57/18/76/663571876.db2.gz KXPDMNSKNHCREO-NSHDSACASA-N 1 1 320.357 -1.126 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001000018607 663572071 /nfs/dbraw/zinc/57/20/71/663572071.db2.gz YONHMQSJXIGUNX-MNOVXSKESA-N 1 1 323.357 -2.185 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@H]1COC(=O)N1 ZINC000999988393 663572196 /nfs/dbraw/zinc/57/21/96/663572196.db2.gz BRQLJXZCXOEKPE-WDEREUQCSA-N 1 1 324.341 -1.758 20 0 DAADMO CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001000016264 663572248 /nfs/dbraw/zinc/57/22/48/663572248.db2.gz SHBGDSPYFGDFGN-JTQLQIEISA-N 1 1 305.346 -1.002 20 0 DAADMO Cn1cc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)nn1 ZINC000999988431 663572665 /nfs/dbraw/zinc/57/26/65/663572665.db2.gz BYYSNYXLGPSNHZ-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC001000014212 663572774 /nfs/dbraw/zinc/57/27/74/663572774.db2.gz KVFIZLJPBHMLTB-JTQLQIEISA-N 1 1 321.345 -2.029 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CCNC1=O ZINC001000012908 663572798 /nfs/dbraw/zinc/57/27/98/663572798.db2.gz FSNWUTWFQLOSFT-RYUDHWBXSA-N 1 1 322.369 -1.731 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001000046970 663573014 /nfs/dbraw/zinc/57/30/14/663573014.db2.gz GXHMDTCLJKOMMX-MWLCHTKSSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000047799 663573590 /nfs/dbraw/zinc/57/35/90/663573590.db2.gz IKXRRDUXOBOPOC-ZJUUUORDSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1nnc[nH]1 ZINC001000028360 663573935 /nfs/dbraw/zinc/57/39/35/663573935.db2.gz HSMRIZWUTCYBNM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)c1ncn[nH]1 ZINC001000028360 663573936 /nfs/dbraw/zinc/57/39/36/663573936.db2.gz HSMRIZWUTCYBNM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1ncn[nH]1 ZINC001000028360 663573937 /nfs/dbraw/zinc/57/39/37/663573937.db2.gz HSMRIZWUTCYBNM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)c1nc[nH]n1 ZINC001000028360 663573938 /nfs/dbraw/zinc/57/39/38/663573938.db2.gz HSMRIZWUTCYBNM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1nc[nH]n1 ZINC001000028360 663573939 /nfs/dbraw/zinc/57/39/39/663573939.db2.gz HSMRIZWUTCYBNM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000024700 663573942 /nfs/dbraw/zinc/57/39/42/663573942.db2.gz KZUVDNWJBVXNEF-TUAOUCFPSA-N 1 1 322.369 -1.745 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001000042175 663574058 /nfs/dbraw/zinc/57/40/58/663574058.db2.gz CKABYIBEUVUUNX-ONGXEEELSA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001000019747 663574426 /nfs/dbraw/zinc/57/44/26/663574426.db2.gz WDJPDLBIKBBPKH-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001000019747 663574431 /nfs/dbraw/zinc/57/44/31/663574431.db2.gz WDJPDLBIKBBPKH-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001000042174 663574603 /nfs/dbraw/zinc/57/46/03/663574603.db2.gz CKABYIBEUVUUNX-MWLCHTKSSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000061664 663575382 /nfs/dbraw/zinc/57/53/82/663575382.db2.gz IECOMQFBXYHYTB-VIFPVBQESA-N 1 1 307.358 -1.444 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2CC1 ZINC000946526836 663576007 /nfs/dbraw/zinc/57/60/07/663576007.db2.gz NZQSKNYZAGMSDH-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032724178 663576026 /nfs/dbraw/zinc/57/60/26/663576026.db2.gz KHGXDZWDCFCRHI-GUBZILKMSA-N 1 1 318.337 -1.563 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032724178 663576028 /nfs/dbraw/zinc/57/60/28/663576028.db2.gz KHGXDZWDCFCRHI-GUBZILKMSA-N 1 1 318.337 -1.563 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)CC[N@H+]1C ZINC001000125362 663576880 /nfs/dbraw/zinc/57/68/80/663576880.db2.gz WYHPPQWVIOWYKL-ZYHUDNBSSA-N 1 1 306.370 -1.055 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001000135685 663577887 /nfs/dbraw/zinc/57/78/87/663577887.db2.gz QQDHYXWNSRLTJV-JTQLQIEISA-N 1 1 323.353 -2.041 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032741029 663579339 /nfs/dbraw/zinc/57/93/39/663579339.db2.gz SRVOWOQXLRILLD-FIQHERPVSA-N 1 1 306.366 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001000172444 663579834 /nfs/dbraw/zinc/57/98/34/663579834.db2.gz UYDGKJAFFMHNMH-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@]1(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CCS(=O)(=O)N1 ZINC001032753493 663580505 /nfs/dbraw/zinc/58/05/05/663580505.db2.gz UWWQKSUNUYZWEN-GVXVVHGQSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000198379 663581462 /nfs/dbraw/zinc/58/14/62/663581462.db2.gz HWEREPDJBZRBCR-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198379 663581464 /nfs/dbraw/zinc/58/14/64/663581464.db2.gz HWEREPDJBZRBCR-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198379 663581467 /nfs/dbraw/zinc/58/14/67/663581467.db2.gz HWEREPDJBZRBCR-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000199826 663581622 /nfs/dbraw/zinc/58/16/22/663581622.db2.gz GXFOSVSXPISMEP-UHFFFAOYSA-N 1 1 303.326 -1.121 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)O)c(=O)n1C ZINC001032759587 663582914 /nfs/dbraw/zinc/58/29/14/663582914.db2.gz UFVJIACTJUVOLI-USWWRNFRSA-N 1 1 309.370 -1.444 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)ccc1=O ZINC001016180176 663582935 /nfs/dbraw/zinc/58/29/35/663582935.db2.gz FZYMWQSDYRBNHS-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ccc1=O ZINC001016180176 663582938 /nfs/dbraw/zinc/58/29/38/663582938.db2.gz FZYMWQSDYRBNHS-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536625 663583050 /nfs/dbraw/zinc/58/30/50/663583050.db2.gz RICHMDBHJGXPKW-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1nc(C)n(C)c1=O ZINC001032759620 663583420 /nfs/dbraw/zinc/58/34/20/663583420.db2.gz WBILDBYNLVVHGV-RYUDHWBXSA-N 1 1 309.370 -1.178 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032773559 663583860 /nfs/dbraw/zinc/58/38/60/663583860.db2.gz CTYTVPQKYIZTFU-DCAQKATOSA-N 1 1 320.349 -1.691 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032773559 663583862 /nfs/dbraw/zinc/58/38/62/663583862.db2.gz CTYTVPQKYIZTFU-DCAQKATOSA-N 1 1 320.349 -1.691 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001032771210 663583868 /nfs/dbraw/zinc/58/38/68/663583868.db2.gz PRAOMSCQHUIWAJ-DCAQKATOSA-N 1 1 310.354 -1.142 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032769006 663583918 /nfs/dbraw/zinc/58/39/18/663583918.db2.gz UZOOOWLXUHZTEV-DCAQKATOSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032769006 663583921 /nfs/dbraw/zinc/58/39/21/663583921.db2.gz UZOOOWLXUHZTEV-DCAQKATOSA-N 1 1 318.337 -1.632 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)C1=O ZINC001032769367 663584220 /nfs/dbraw/zinc/58/42/20/663584220.db2.gz GZTJYMNYLQUKCW-SDDRHHMPSA-N 1 1 304.354 -1.206 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cncn2)C1=O ZINC001032769367 663584221 /nfs/dbraw/zinc/58/42/21/663584221.db2.gz GZTJYMNYLQUKCW-SDDRHHMPSA-N 1 1 304.354 -1.206 20 0 DAADMO NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)c[nH]1 ZINC001032785493 663585703 /nfs/dbraw/zinc/58/57/03/663585703.db2.gz ILCAQFQVNHKWGP-JBLDHEPKSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)c[nH]1 ZINC001032785493 663585705 /nfs/dbraw/zinc/58/57/05/663585705.db2.gz ILCAQFQVNHKWGP-JBLDHEPKSA-N 1 1 317.349 -1.099 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001016204024 663586264 /nfs/dbraw/zinc/58/62/64/663586264.db2.gz XSUGKNZJRFQFPE-NSHDSACASA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)cn1 ZINC001016204024 663586267 /nfs/dbraw/zinc/58/62/67/663586267.db2.gz XSUGKNZJRFQFPE-NSHDSACASA-N 1 1 320.353 -1.338 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000559622 663588073 /nfs/dbraw/zinc/58/80/73/663588073.db2.gz PIHBMFNWRYKARY-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000559622 663588074 /nfs/dbraw/zinc/58/80/74/663588074.db2.gz PIHBMFNWRYKARY-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001000527109 663588081 /nfs/dbraw/zinc/58/80/81/663588081.db2.gz YXTIRKVAKSPTOY-VXGBXAGGSA-N 1 1 306.366 -1.098 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001000527109 663588082 /nfs/dbraw/zinc/58/80/82/663588082.db2.gz YXTIRKVAKSPTOY-VXGBXAGGSA-N 1 1 306.366 -1.098 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540046 663588114 /nfs/dbraw/zinc/58/81/14/663588114.db2.gz WHKNAOZNCHZSLQ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000594612 663589032 /nfs/dbraw/zinc/58/90/32/663589032.db2.gz SWKAVKZQZQTTRB-CYBMUJFWSA-N 1 1 310.398 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000594612 663589036 /nfs/dbraw/zinc/58/90/36/663589036.db2.gz SWKAVKZQZQTTRB-CYBMUJFWSA-N 1 1 310.398 -1.189 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000548532 663589577 /nfs/dbraw/zinc/58/95/77/663589577.db2.gz VTAJFWPFWPCWAI-ZDUSSCGKSA-N 1 1 310.398 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000548532 663589581 /nfs/dbraw/zinc/58/95/81/663589581.db2.gz VTAJFWPFWPCWAI-ZDUSSCGKSA-N 1 1 310.398 -1.189 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550174 663589611 /nfs/dbraw/zinc/58/96/11/663589611.db2.gz IKHFIXHHCYIFQS-ZIAGYGMSSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550174 663589619 /nfs/dbraw/zinc/58/96/19/663589619.db2.gz IKHFIXHHCYIFQS-ZIAGYGMSSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000546325 663589848 /nfs/dbraw/zinc/58/98/48/663589848.db2.gz HASBGZVVNCSEKS-WCQYABFASA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000546325 663589856 /nfs/dbraw/zinc/58/98/56/663589856.db2.gz HASBGZVVNCSEKS-WCQYABFASA-N 1 1 310.398 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000640559 663590163 /nfs/dbraw/zinc/59/01/63/663590163.db2.gz QYIHNZNPYKFEJR-NSHDSACASA-N 1 1 310.354 -1.069 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000640559 663590166 /nfs/dbraw/zinc/59/01/66/663590166.db2.gz QYIHNZNPYKFEJR-NSHDSACASA-N 1 1 310.354 -1.069 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001000685008 663590263 /nfs/dbraw/zinc/59/02/63/663590263.db2.gz ASHVZNZFGWEIGY-NXEZZACHSA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001000685008 663590279 /nfs/dbraw/zinc/59/02/79/663590279.db2.gz ASHVZNZFGWEIGY-NXEZZACHSA-N 1 1 306.370 -1.025 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000643057 663590780 /nfs/dbraw/zinc/59/07/80/663590780.db2.gz KQIYJOUJCMBTIA-KOLCDFICSA-N 1 1 310.354 -1.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000643057 663590784 /nfs/dbraw/zinc/59/07/84/663590784.db2.gz KQIYJOUJCMBTIA-KOLCDFICSA-N 1 1 310.354 -1.022 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001000641347 663590874 /nfs/dbraw/zinc/59/08/74/663590874.db2.gz XUHMTLWTGCFMON-QWRGUYRKSA-N 1 1 308.338 -1.268 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001000641347 663590879 /nfs/dbraw/zinc/59/08/79/663590879.db2.gz XUHMTLWTGCFMON-QWRGUYRKSA-N 1 1 308.338 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921806042 663592406 /nfs/dbraw/zinc/59/24/06/663592406.db2.gz BLCSIEJVHFOOLG-OAHLLOKOSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC001001041190 663593396 /nfs/dbraw/zinc/59/33/96/663593396.db2.gz SWOGLAMGSUFSKY-NWDGAFQWSA-N 1 1 306.366 -1.241 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC001001041190 663593402 /nfs/dbraw/zinc/59/34/02/663593402.db2.gz SWOGLAMGSUFSKY-NWDGAFQWSA-N 1 1 306.366 -1.241 20 0 DAADMO CN1C[C@@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001001044073 663593507 /nfs/dbraw/zinc/59/35/07/663593507.db2.gz NVXAOMMZRYKKLU-NWDGAFQWSA-N 1 1 321.381 -1.353 20 0 DAADMO CN1C[C@@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001001044073 663593511 /nfs/dbraw/zinc/59/35/11/663593511.db2.gz NVXAOMMZRYKKLU-NWDGAFQWSA-N 1 1 321.381 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001001034587 663594015 /nfs/dbraw/zinc/59/40/15/663594015.db2.gz DAKLMIHAWRRQRA-NWDGAFQWSA-N 1 1 308.382 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001001034587 663594017 /nfs/dbraw/zinc/59/40/17/663594017.db2.gz DAKLMIHAWRRQRA-NWDGAFQWSA-N 1 1 308.382 -1.008 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@H]3CCCNC3=O)CC2)n1 ZINC001001058019 663594218 /nfs/dbraw/zinc/59/42/18/663594218.db2.gz VRWGNBOGCASLJH-NSHDSACASA-N 1 1 319.369 -1.149 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056212 663594284 /nfs/dbraw/zinc/59/42/84/663594284.db2.gz OLCDHMBLFNCNNF-VIFPVBQESA-N 1 1 307.358 -1.294 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056212 663594286 /nfs/dbraw/zinc/59/42/86/663594286.db2.gz OLCDHMBLFNCNNF-VIFPVBQESA-N 1 1 307.358 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001001034589 663594353 /nfs/dbraw/zinc/59/43/53/663594353.db2.gz DAKLMIHAWRRQRA-RYUDHWBXSA-N 1 1 308.382 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001001034589 663594354 /nfs/dbraw/zinc/59/43/54/663594354.db2.gz DAKLMIHAWRRQRA-RYUDHWBXSA-N 1 1 308.382 -1.008 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001055164 663594362 /nfs/dbraw/zinc/59/43/62/663594362.db2.gz DXTWMJAKIWGRFB-UHFFFAOYSA-N 1 1 307.358 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001055164 663594363 /nfs/dbraw/zinc/59/43/63/663594363.db2.gz DXTWMJAKIWGRFB-UHFFFAOYSA-N 1 1 307.358 -1.340 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001039271 663594399 /nfs/dbraw/zinc/59/43/99/663594399.db2.gz JSFDTUFNLSEPGV-MWLCHTKSSA-N 1 1 309.370 -1.368 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001039271 663594401 /nfs/dbraw/zinc/59/44/01/663594401.db2.gz JSFDTUFNLSEPGV-MWLCHTKSSA-N 1 1 309.370 -1.368 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC001001061704 663594625 /nfs/dbraw/zinc/59/46/25/663594625.db2.gz UGNLRWAFHYNBSI-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC001001061704 663594628 /nfs/dbraw/zinc/59/46/28/663594628.db2.gz UGNLRWAFHYNBSI-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802691 663595178 /nfs/dbraw/zinc/59/51/78/663595178.db2.gz JXMDAERHSVDXMX-UWVGGRQHSA-N 1 1 308.342 -1.692 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802691 663595180 /nfs/dbraw/zinc/59/51/80/663595180.db2.gz JXMDAERHSVDXMX-UWVGGRQHSA-N 1 1 308.342 -1.692 20 0 DAADMO O=C(C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001001101202 663595225 /nfs/dbraw/zinc/59/52/25/663595225.db2.gz SGJWMIKBFGQSMF-GFCCVEGCSA-N 1 1 321.381 -1.352 20 0 DAADMO O=C(C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001001101202 663595230 /nfs/dbraw/zinc/59/52/30/663595230.db2.gz SGJWMIKBFGQSMF-GFCCVEGCSA-N 1 1 321.381 -1.352 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001108062 663595368 /nfs/dbraw/zinc/59/53/68/663595368.db2.gz YVSNGDVYBFGQNW-LLVKDONJSA-N 1 1 309.370 -1.496 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001108062 663595371 /nfs/dbraw/zinc/59/53/71/663595371.db2.gz YVSNGDVYBFGQNW-LLVKDONJSA-N 1 1 309.370 -1.496 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802886 663595595 /nfs/dbraw/zinc/59/55/95/663595595.db2.gz RFNSTPGFWSFFPI-GUBZILKMSA-N 1 1 308.342 -1.957 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802886 663595600 /nfs/dbraw/zinc/59/56/00/663595600.db2.gz RFNSTPGFWSFFPI-GUBZILKMSA-N 1 1 308.342 -1.957 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001108105 663595702 /nfs/dbraw/zinc/59/57/02/663595702.db2.gz ZJPICJKBQHTWMT-ZYHUDNBSSA-N 1 1 323.397 -1.107 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001001109863 663596219 /nfs/dbraw/zinc/59/62/19/663596219.db2.gz AVZLBVWKHXVMLQ-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001001109863 663596225 /nfs/dbraw/zinc/59/62/25/663596225.db2.gz AVZLBVWKHXVMLQ-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001001160375 663596749 /nfs/dbraw/zinc/59/67/49/663596749.db2.gz OENONSZHYNBTCQ-GRYCIOLGSA-N 1 1 306.366 -1.255 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001001160375 663596753 /nfs/dbraw/zinc/59/67/53/663596753.db2.gz OENONSZHYNBTCQ-GRYCIOLGSA-N 1 1 306.366 -1.255 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001001191235 663596856 /nfs/dbraw/zinc/59/68/56/663596856.db2.gz QMAACZDMKDERLJ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216241 663597067 /nfs/dbraw/zinc/59/70/67/663597067.db2.gz MAQXDUMZARMHQK-SCZZXKLOSA-N 1 1 323.353 -1.793 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216241 663597069 /nfs/dbraw/zinc/59/70/69/663597069.db2.gz MAQXDUMZARMHQK-SCZZXKLOSA-N 1 1 323.353 -1.793 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216846 663597120 /nfs/dbraw/zinc/59/71/20/663597120.db2.gz SKPZRZVULZOAHL-KOLCDFICSA-N 1 1 310.354 -1.286 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001001217300 663597195 /nfs/dbraw/zinc/59/71/95/663597195.db2.gz BFIIVUXMIOKBEW-JTQLQIEISA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001001207707 663597923 /nfs/dbraw/zinc/59/79/23/663597923.db2.gz OMXGNBHYAXQEMC-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001001202387 663598299 /nfs/dbraw/zinc/59/82/99/663598299.db2.gz CCCRRWJTWPNNLZ-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001001297338 663598896 /nfs/dbraw/zinc/59/88/96/663598896.db2.gz QUDTVSWILUMKCZ-GFCCVEGCSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001001297338 663598898 /nfs/dbraw/zinc/59/88/98/663598898.db2.gz QUDTVSWILUMKCZ-GFCCVEGCSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001001210014 663598987 /nfs/dbraw/zinc/59/89/87/663598987.db2.gz QMAACZDMKDERLJ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001296582 663599259 /nfs/dbraw/zinc/59/92/59/663599259.db2.gz NEYFYCKSBJSEKU-NSHDSACASA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001296582 663599262 /nfs/dbraw/zinc/59/92/62/663599262.db2.gz NEYFYCKSBJSEKU-NSHDSACASA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297967 663599331 /nfs/dbraw/zinc/59/93/31/663599331.db2.gz VNESNHCYCJQVPQ-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1nccc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297967 663599334 /nfs/dbraw/zinc/59/93/34/663599334.db2.gz VNESNHCYCJQVPQ-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2nc3ncccn3n2)CC1 ZINC001001275762 663599386 /nfs/dbraw/zinc/59/93/86/663599386.db2.gz PVEQJHOPVIZOOX-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2nc3ncccn3n2)CC1 ZINC001001275762 663599387 /nfs/dbraw/zinc/59/93/87/663599387.db2.gz PVEQJHOPVIZOOX-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001001296640 663599624 /nfs/dbraw/zinc/59/96/24/663599624.db2.gz NUWBIZQHPJUDNK-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001001296640 663599633 /nfs/dbraw/zinc/59/96/33/663599633.db2.gz NUWBIZQHPJUDNK-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001001297870 663599693 /nfs/dbraw/zinc/59/96/93/663599693.db2.gz URJPZGFVOKJBLH-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001301240 663599923 /nfs/dbraw/zinc/59/99/23/663599923.db2.gz GFOMCYOISSFVEA-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001301240 663599927 /nfs/dbraw/zinc/59/99/27/663599927.db2.gz GFOMCYOISSFVEA-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001001296638 663599936 /nfs/dbraw/zinc/59/99/36/663599936.db2.gz NUWBIZQHPJUDNK-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001001296638 663599938 /nfs/dbraw/zinc/59/99/38/663599938.db2.gz NUWBIZQHPJUDNK-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001001295414 663599984 /nfs/dbraw/zinc/59/99/84/663599984.db2.gz FKXULNQRFIPRJH-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001001295414 663599990 /nfs/dbraw/zinc/59/99/90/663599990.db2.gz FKXULNQRFIPRJH-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001001295368 663600058 /nfs/dbraw/zinc/60/00/58/663600058.db2.gz FEUQHKVYIMKUBI-LLVKDONJSA-N 1 1 309.326 -1.412 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001001295368 663600063 /nfs/dbraw/zinc/60/00/63/663600063.db2.gz FEUQHKVYIMKUBI-LLVKDONJSA-N 1 1 309.326 -1.412 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001296604 663600072 /nfs/dbraw/zinc/60/00/72/663600072.db2.gz NLNLPTBREJRLQK-SNVBAGLBSA-N 1 1 323.357 -2.271 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001296604 663600076 /nfs/dbraw/zinc/60/00/76/663600076.db2.gz NLNLPTBREJRLQK-SNVBAGLBSA-N 1 1 323.357 -2.271 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001301234 663600277 /nfs/dbraw/zinc/60/02/77/663600277.db2.gz GFOMCYOISSFVEA-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001301234 663600280 /nfs/dbraw/zinc/60/02/80/663600280.db2.gz GFOMCYOISSFVEA-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001001303556 663600766 /nfs/dbraw/zinc/60/07/66/663600766.db2.gz VASDEACYCGSSGO-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001001303556 663600769 /nfs/dbraw/zinc/60/07/69/663600769.db2.gz VASDEACYCGSSGO-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001001314023 663601031 /nfs/dbraw/zinc/60/10/31/663601031.db2.gz XJUFFEICRSVUML-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001001314023 663601033 /nfs/dbraw/zinc/60/10/33/663601033.db2.gz XJUFFEICRSVUML-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001303120 663601092 /nfs/dbraw/zinc/60/10/92/663601092.db2.gz NIOYHAKEBTVBME-NSHDSACASA-N 1 1 324.381 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001303120 663601093 /nfs/dbraw/zinc/60/10/93/663601093.db2.gz NIOYHAKEBTVBME-NSHDSACASA-N 1 1 324.381 -1.843 20 0 DAADMO Cn1cncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001313292 663601096 /nfs/dbraw/zinc/60/10/96/663601096.db2.gz WEYCLMRYCQTBBO-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001313292 663601097 /nfs/dbraw/zinc/60/10/97/663601097.db2.gz WEYCLMRYCQTBBO-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001001456333 663601429 /nfs/dbraw/zinc/60/14/29/663601429.db2.gz JYXKPYSICBKXRR-LBPRGKRZSA-N 1 1 317.411 -1.191 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001001418500 663601458 /nfs/dbraw/zinc/60/14/58/663601458.db2.gz MDQWWUUWDNDNRC-ZDUSSCGKSA-N 1 1 324.381 -1.533 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001001418500 663601462 /nfs/dbraw/zinc/60/14/62/663601462.db2.gz MDQWWUUWDNDNRC-ZDUSSCGKSA-N 1 1 324.381 -1.533 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001001455361 663601595 /nfs/dbraw/zinc/60/15/95/663601595.db2.gz BKERHDDXHDEALI-LLVKDONJSA-N 1 1 303.384 -1.581 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(CC(N)=O)CC2)C1 ZINC001001461012 663602185 /nfs/dbraw/zinc/60/21/85/663602185.db2.gz FUDGUSIVDJLLNG-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(CC(N)=O)CC2)C1 ZINC001001461012 663602186 /nfs/dbraw/zinc/60/21/86/663602186.db2.gz FUDGUSIVDJLLNG-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001504214 663602825 /nfs/dbraw/zinc/60/28/25/663602825.db2.gz JUZRSNQSTPOUKK-UONOGXRCSA-N 1 1 324.425 -1.157 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)n(C)c1=O ZINC001001487393 663602828 /nfs/dbraw/zinc/60/28/28/663602828.db2.gz ZIQZUVBPDNWTFC-UHFFFAOYSA-N 1 1 307.354 -1.429 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)n(C)c1=O ZINC001001487393 663602829 /nfs/dbraw/zinc/60/28/29/663602829.db2.gz ZIQZUVBPDNWTFC-UHFFFAOYSA-N 1 1 307.354 -1.429 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001674546 663605182 /nfs/dbraw/zinc/60/51/82/663605182.db2.gz QQURAXHNRPYQMI-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001001714954 663606215 /nfs/dbraw/zinc/60/62/15/663606215.db2.gz NBXXXNRFYICHOI-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001001714954 663606218 /nfs/dbraw/zinc/60/62/18/663606218.db2.gz NBXXXNRFYICHOI-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001032819309 663608492 /nfs/dbraw/zinc/60/84/92/663608492.db2.gz TXEWDDOOJQCRNM-AVGNSLFASA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001032819309 663608497 /nfs/dbraw/zinc/60/84/97/663608497.db2.gz TXEWDDOOJQCRNM-AVGNSLFASA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001032819310 663608520 /nfs/dbraw/zinc/60/85/20/663608520.db2.gz TXEWDDOOJQCRNM-RWMBFGLXSA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001032819310 663608521 /nfs/dbraw/zinc/60/85/21/663608521.db2.gz TXEWDDOOJQCRNM-RWMBFGLXSA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001001788255 663610402 /nfs/dbraw/zinc/61/04/02/663610402.db2.gz GELFHHIEFMHVMP-GFCCVEGCSA-N 1 1 321.385 -1.175 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001906761 663611913 /nfs/dbraw/zinc/61/19/13/663611913.db2.gz GKRKWBPJGJWDPP-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001001978603 663612046 /nfs/dbraw/zinc/61/20/46/663612046.db2.gz RKTXEQIFSLXNQE-QWRGUYRKSA-N 1 1 310.354 -1.379 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001980164 663612240 /nfs/dbraw/zinc/61/22/40/663612240.db2.gz VRBLLMCDCUWDKB-UONOGXRCSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001996575 663612250 /nfs/dbraw/zinc/61/22/50/663612250.db2.gz VFMVTROHHIKNEW-LBPRGKRZSA-N 1 1 306.370 -1.196 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002001067 663612280 /nfs/dbraw/zinc/61/22/80/663612280.db2.gz OHQFGLSCKJONGD-STQMWFEESA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001997641 663612395 /nfs/dbraw/zinc/61/23/95/663612395.db2.gz BGFBKJCEEADCAV-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001997641 663612397 /nfs/dbraw/zinc/61/23/97/663612397.db2.gz BGFBKJCEEADCAV-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002001057 663612422 /nfs/dbraw/zinc/61/24/22/663612422.db2.gz OHQFGLSCKJONGD-CHWSQXEVSA-N 1 1 322.409 -1.009 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001002291355 663613718 /nfs/dbraw/zinc/61/37/18/663613718.db2.gz ORFPPWAZMCEBAS-NSHDSACASA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001002291355 663613723 /nfs/dbraw/zinc/61/37/23/663613723.db2.gz ORFPPWAZMCEBAS-NSHDSACASA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001002291521 663613829 /nfs/dbraw/zinc/61/38/29/663613829.db2.gz PZMXSGYCHSIRQO-LBPRGKRZSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001002291521 663613836 /nfs/dbraw/zinc/61/38/36/663613836.db2.gz PZMXSGYCHSIRQO-LBPRGKRZSA-N 1 1 323.353 -1.022 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002398510 663614651 /nfs/dbraw/zinc/61/46/51/663614651.db2.gz SONXYZNBXCMFIK-NWDGAFQWSA-N 1 1 324.381 -1.700 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002398517 663614783 /nfs/dbraw/zinc/61/47/83/663614783.db2.gz SONXYZNBXCMFIK-VXGBXAGGSA-N 1 1 324.381 -1.700 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002398506 663614900 /nfs/dbraw/zinc/61/49/00/663614900.db2.gz SONXYZNBXCMFIK-NEPJUHHUSA-N 1 1 324.381 -1.700 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002455868 663614918 /nfs/dbraw/zinc/61/49/18/663614918.db2.gz IBHKBGSKODAIAE-OLZOCXBDSA-N 1 1 322.409 -1.009 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307029 663614999 /nfs/dbraw/zinc/61/49/99/663614999.db2.gz RRBDGYDIKKJFSH-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307029 663615003 /nfs/dbraw/zinc/61/50/03/663615003.db2.gz RRBDGYDIKKJFSH-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001002523330 663616074 /nfs/dbraw/zinc/61/60/74/663616074.db2.gz NMNZGHPZMBNCMA-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001002523381 663616217 /nfs/dbraw/zinc/61/62/17/663616217.db2.gz NMNZGHPZMBNCMA-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO Cn1nnnc1CN1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002523636 663616230 /nfs/dbraw/zinc/61/62/30/663616230.db2.gz QOLKMXQHSSVBQI-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523636 663616231 /nfs/dbraw/zinc/61/62/31/663616231.db2.gz QOLKMXQHSSVBQI-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C(CN1CN=NC1=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001002649762 663617399 /nfs/dbraw/zinc/61/73/99/663617399.db2.gz XBEBKNIDYMXBSR-UHFFFAOYSA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032827097 663617687 /nfs/dbraw/zinc/61/76/87/663617687.db2.gz OIXCHHSHHGBXRZ-XHNCKOQMSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032827097 663617691 /nfs/dbraw/zinc/61/76/91/663617691.db2.gz OIXCHHSHHGBXRZ-XHNCKOQMSA-N 1 1 309.326 -2.337 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001002685384 663618043 /nfs/dbraw/zinc/61/80/43/663618043.db2.gz LJRJHWRKZMIOQP-CYBMUJFWSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1)N1CCC1 ZINC001002722216 663618212 /nfs/dbraw/zinc/61/82/12/663618212.db2.gz KLEONTJZYCIQJS-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)Cn2ncnn2)C1 ZINC001016330134 663618844 /nfs/dbraw/zinc/61/88/44/663618844.db2.gz LYAYINMDZJFGLP-MCIGGMRASA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000358077371 663618987 /nfs/dbraw/zinc/61/89/87/663618987.db2.gz XEVPZUJKZLKPKN-HZMBPMFUSA-N 1 1 307.354 -1.055 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001002825422 663619165 /nfs/dbraw/zinc/61/91/65/663619165.db2.gz YXVXBVYTMYGUDN-UHFFFAOYSA-N 1 1 305.346 -1.418 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000358077433 663619243 /nfs/dbraw/zinc/61/92/43/663619243.db2.gz XEVPZUJKZLKPKN-YGRLFVJLSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(Cn1ncnn1)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001002825258 663619384 /nfs/dbraw/zinc/61/93/84/663619384.db2.gz XJEJEBUDOQHNFB-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001002861725 663619679 /nfs/dbraw/zinc/61/96/79/663619679.db2.gz DXACMSZHDXWDJG-MRVPVSSYSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032830679 663619859 /nfs/dbraw/zinc/61/98/59/663619859.db2.gz IBHHXUUZEMMFGQ-WMFXKJRFSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032830679 663619866 /nfs/dbraw/zinc/61/98/66/663619866.db2.gz IBHHXUUZEMMFGQ-WMFXKJRFSA-N 1 1 322.365 -1.349 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001016342105 663619921 /nfs/dbraw/zinc/61/99/21/663619921.db2.gz ZWUMMVUAHVHUEH-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001016342113 663620001 /nfs/dbraw/zinc/62/00/01/663620001.db2.gz ZWUMMVUAHVHUEH-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352612 663621462 /nfs/dbraw/zinc/62/14/62/663621462.db2.gz CKKQNNYTQFEXJI-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352612 663621463 /nfs/dbraw/zinc/62/14/63/663621463.db2.gz CKKQNNYTQFEXJI-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1=O ZINC001002949836 663621480 /nfs/dbraw/zinc/62/14/80/663621480.db2.gz NWOZECNJMXYVJN-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1)N1C(=O)CCC1=O ZINC001002952697 663621512 /nfs/dbraw/zinc/62/15/12/663621512.db2.gz HMVDSWYCESUKEC-UWVGGRQHSA-N 1 1 324.381 -1.022 20 0 DAADMO C[C@H](C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1)N1C(=O)CCC1=O ZINC001002952701 663621688 /nfs/dbraw/zinc/62/16/88/663621688.db2.gz HMVDSWYCESUKEC-VHSXEESVSA-N 1 1 324.381 -1.022 20 0 DAADMO C[N@H+](CCNC(=O)C1CN([C@H]2CCOC2)C1)CCOCCO ZINC000922111819 663622296 /nfs/dbraw/zinc/62/22/96/663622296.db2.gz NGXNUDKWXNEMOQ-AWEZNQCLSA-N 1 1 315.414 -1.236 20 0 DAADMO C[N@@H+](CCNC(=O)C1CN([C@H]2CCOC2)C1)CCOCCO ZINC000922111819 663622297 /nfs/dbraw/zinc/62/22/97/663622297.db2.gz NGXNUDKWXNEMOQ-AWEZNQCLSA-N 1 1 315.414 -1.236 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2CN(C(=O)C(N)=O)C2)no1 ZINC001002986366 663622527 /nfs/dbraw/zinc/62/25/27/663622527.db2.gz QFUYKASKUGVMGI-UHFFFAOYSA-N 1 1 309.326 -1.590 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)N1CCN(C)CC1 ZINC000922125141 663622844 /nfs/dbraw/zinc/62/28/44/663622844.db2.gz NTZVTFJABQTYTI-AWEZNQCLSA-N 1 1 316.446 -1.321 20 0 DAADMO C[N@@H+](CCNC(=O)C1CN(S(C)(=O)=O)C1)CCOCCO ZINC000922128859 663622894 /nfs/dbraw/zinc/62/28/94/663622894.db2.gz KKXPURZKXWFJIB-UHFFFAOYSA-N 1 1 323.415 -2.065 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC000922119301 663623049 /nfs/dbraw/zinc/62/30/49/663623049.db2.gz QGHFCYGVSXNUOU-ZDUSSCGKSA-N 1 1 317.386 -1.709 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCCNC1=O ZINC001003070107 663623276 /nfs/dbraw/zinc/62/32/76/663623276.db2.gz FGODLROFOHXJRO-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032834075 663623531 /nfs/dbraw/zinc/62/35/31/663623531.db2.gz WWFPQNNZBKNRHK-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032834075 663623535 /nfs/dbraw/zinc/62/35/35/663623535.db2.gz WWFPQNNZBKNRHK-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)[C@H]1CCC(=O)N1 ZINC001032834388 663625006 /nfs/dbraw/zinc/62/50/06/663625006.db2.gz NKNBWZFUBSLBBV-FRRDWIJNSA-N 1 1 321.381 -1.287 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCC(=O)NC1 ZINC001003225215 663625739 /nfs/dbraw/zinc/62/57/39/663625739.db2.gz IOZSJOGPGONXMX-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003234769 663625748 /nfs/dbraw/zinc/62/57/48/663625748.db2.gz AACUAHQTOMSEBZ-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003234767 663625764 /nfs/dbraw/zinc/62/57/64/663625764.db2.gz AACUAHQTOMSEBZ-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001003194586 663625891 /nfs/dbraw/zinc/62/58/91/663625891.db2.gz WPQKEZHKRGTMCN-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001003194586 663625892 /nfs/dbraw/zinc/62/58/92/663625892.db2.gz WPQKEZHKRGTMCN-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)NC1 ZINC001003225217 663626032 /nfs/dbraw/zinc/62/60/32/663626032.db2.gz IOZSJOGPGONXMX-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032837015 663627103 /nfs/dbraw/zinc/62/71/03/663627103.db2.gz BJEVAVJUKDWLRF-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032837015 663627105 /nfs/dbraw/zinc/62/71/05/663627105.db2.gz BJEVAVJUKDWLRF-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001032837012 663627156 /nfs/dbraw/zinc/62/71/56/663627156.db2.gz ASAODCROZYHAIQ-MXWKQRLJSA-N 1 1 310.354 -1.189 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001003257115 663627197 /nfs/dbraw/zinc/62/71/97/663627197.db2.gz OTJYBYWFJVBMFI-UHFFFAOYSA-N 1 1 309.326 -1.985 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032837320 663627289 /nfs/dbraw/zinc/62/72/89/663627289.db2.gz HUNCYUODOHCIBF-GMTAPVOTSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032837320 663627295 /nfs/dbraw/zinc/62/72/95/663627295.db2.gz HUNCYUODOHCIBF-GMTAPVOTSA-N 1 1 322.365 -1.349 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001003339654 663627665 /nfs/dbraw/zinc/62/76/65/663627665.db2.gz YLSKTFUCXMONAG-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032840499 663628261 /nfs/dbraw/zinc/62/82/61/663628261.db2.gz IBHHXUUZEMMFGQ-FCHSOHFDSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032840499 663628268 /nfs/dbraw/zinc/62/82/68/663628268.db2.gz IBHHXUUZEMMFGQ-FCHSOHFDSA-N 1 1 322.365 -1.349 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)NC1=O ZINC001003436701 663628821 /nfs/dbraw/zinc/62/88/21/663628821.db2.gz JRQLPFJDTYXXHQ-LBPRGKRZSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841910 663629108 /nfs/dbraw/zinc/62/91/08/663629108.db2.gz VOGHMLMIFCTCCB-HLTSFMKQSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841910 663629109 /nfs/dbraw/zinc/62/91/09/663629109.db2.gz VOGHMLMIFCTCCB-HLTSFMKQSA-N 1 1 311.342 -2.091 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001003454469 663629385 /nfs/dbraw/zinc/62/93/85/663629385.db2.gz PEBSBCQSSHVKNH-UQACVICXSA-N 1 1 322.365 -2.091 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003533457 663630505 /nfs/dbraw/zinc/63/05/05/663630505.db2.gz YQLHUFNDUZLVCD-NSHDSACASA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001003538664 663630513 /nfs/dbraw/zinc/63/05/13/663630513.db2.gz CHOBUNDODMAXAF-VIFPVBQESA-N 1 1 303.384 -1.513 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032843108 663630522 /nfs/dbraw/zinc/63/05/22/663630522.db2.gz GMMYCCPDWKGNPH-KXUCPTDWSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032843108 663630523 /nfs/dbraw/zinc/63/05/23/663630523.db2.gz GMMYCCPDWKGNPH-KXUCPTDWSA-N 1 1 308.338 -1.739 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001003554078 663631735 /nfs/dbraw/zinc/63/17/35/663631735.db2.gz UHNOBGVDLUJIHD-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003554623 663631954 /nfs/dbraw/zinc/63/19/54/663631954.db2.gz ZNHHTTKYTIUXMA-NWDGAFQWSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003554623 663631956 /nfs/dbraw/zinc/63/19/56/663631956.db2.gz ZNHHTTKYTIUXMA-NWDGAFQWSA-N 1 1 324.381 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003710269 663636974 /nfs/dbraw/zinc/63/69/74/663636974.db2.gz IFBFYUQLEKTEIE-UHFFFAOYSA-N 1 1 318.341 -1.397 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC001003710186 663637252 /nfs/dbraw/zinc/63/72/52/663637252.db2.gz GERDOTLXSHXWNO-MWLCHTKSSA-N 1 1 321.385 -1.262 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003712152 663638078 /nfs/dbraw/zinc/63/80/78/663638078.db2.gz NKUJZYNHRIQSHR-SNVBAGLBSA-N 1 1 307.358 -1.650 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001003742563 663638728 /nfs/dbraw/zinc/63/87/28/663638728.db2.gz VMIYZJNKUJLAKL-STQMWFEESA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccncn3)C2)C1 ZINC001003791732 663639564 /nfs/dbraw/zinc/63/95/64/663639564.db2.gz XENZMPBANUKTIA-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccncn3)C2)C1 ZINC001003791732 663639566 /nfs/dbraw/zinc/63/95/66/663639566.db2.gz XENZMPBANUKTIA-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)C1CC(=O)NC(=O)C1 ZINC001003787619 663639596 /nfs/dbraw/zinc/63/95/96/663639596.db2.gz KIWFGIMDFVXJCW-LLVKDONJSA-N 1 1 322.365 -1.492 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001032897264 663640779 /nfs/dbraw/zinc/64/07/79/663640779.db2.gz OARGHAZQCOQELJ-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001032897264 663640781 /nfs/dbraw/zinc/64/07/81/663640781.db2.gz OARGHAZQCOQELJ-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001003912133 663641219 /nfs/dbraw/zinc/64/12/19/663641219.db2.gz JEJRIFQWEFUZDL-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001003943647 663641710 /nfs/dbraw/zinc/64/17/10/663641710.db2.gz JQYMHVCLHBITLQ-LLVKDONJSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cn([C@H]3CCOC3)nn2)CC1 ZINC001003930223 663641863 /nfs/dbraw/zinc/64/18/63/663641863.db2.gz ILZOEEKBSGCSPI-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001032966912 663641983 /nfs/dbraw/zinc/64/19/83/663641983.db2.gz GTHZMEIYHXEEIP-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003954825 663642114 /nfs/dbraw/zinc/64/21/14/663642114.db2.gz MYSBDCHXKSTMDP-WDEREUQCSA-N 1 1 309.370 -1.663 20 0 DAADMO O=C(Cc1nnc[nH]1)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003939208 663642348 /nfs/dbraw/zinc/64/23/48/663642348.db2.gz MJCOWRLIZBWVHO-UHFFFAOYSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003949122 663643021 /nfs/dbraw/zinc/64/30/21/663643021.db2.gz DPXOLXKCEWBWNG-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC001003949009 663643102 /nfs/dbraw/zinc/64/31/02/663643102.db2.gz CJDCQCXEHZSCIS-YUSALJHKSA-N 1 1 323.397 -1.417 20 0 DAADMO CN1C(=O)CN(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC001003959201 663643838 /nfs/dbraw/zinc/64/38/38/663643838.db2.gz RLSJPUCQTKITRT-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922350378 663644585 /nfs/dbraw/zinc/64/45/85/663644585.db2.gz KRBWTGDXTYIZLN-CYBMUJFWSA-N 1 1 323.401 -1.414 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033016181 663644650 /nfs/dbraw/zinc/64/46/50/663644650.db2.gz NHKLDTDMVWZYFD-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033016181 663644652 /nfs/dbraw/zinc/64/46/52/663644652.db2.gz NHKLDTDMVWZYFD-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033016185 663644754 /nfs/dbraw/zinc/64/47/54/663644754.db2.gz NHKLDTDMVWZYFD-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033016185 663644757 /nfs/dbraw/zinc/64/47/57/663644757.db2.gz NHKLDTDMVWZYFD-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N1 ZINC000922343036 663644843 /nfs/dbraw/zinc/64/48/43/663644843.db2.gz JLVORYXMZIRJBE-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033022248 663644995 /nfs/dbraw/zinc/64/49/95/663644995.db2.gz HAMDCPCNKALVDP-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033022248 663644999 /nfs/dbraw/zinc/64/49/99/663644999.db2.gz HAMDCPCNKALVDP-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033024505 663645031 /nfs/dbraw/zinc/64/50/31/663645031.db2.gz XRTWYXVUBFKLQF-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024692 663645079 /nfs/dbraw/zinc/64/50/79/663645079.db2.gz ZZQLKVLLNBLHPS-VHSXEESVSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024692 663645082 /nfs/dbraw/zinc/64/50/82/663645082.db2.gz ZZQLKVLLNBLHPS-VHSXEESVSA-N 1 1 310.358 -1.349 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033021712 663645197 /nfs/dbraw/zinc/64/51/97/663645197.db2.gz CSGJIHGAIRTJFT-VHSXEESVSA-N 1 1 308.342 -1.595 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033021712 663645200 /nfs/dbraw/zinc/64/52/00/663645200.db2.gz CSGJIHGAIRTJFT-VHSXEESVSA-N 1 1 308.342 -1.595 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 ZINC001004098571 663645208 /nfs/dbraw/zinc/64/52/08/663645208.db2.gz SZTYVIYNNCXCGR-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027134 663645289 /nfs/dbraw/zinc/64/52/89/663645289.db2.gz VIBZUQYMVQWHQK-UWVGGRQHSA-N 1 1 310.358 -1.220 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027134 663645292 /nfs/dbraw/zinc/64/52/92/663645292.db2.gz VIBZUQYMVQWHQK-UWVGGRQHSA-N 1 1 310.358 -1.220 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033026185 663645472 /nfs/dbraw/zinc/64/54/72/663645472.db2.gz MKGPFAMMVXSAAJ-WDEREUQCSA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033026185 663645475 /nfs/dbraw/zinc/64/54/75/663645475.db2.gz MKGPFAMMVXSAAJ-WDEREUQCSA-N 1 1 322.369 -1.253 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001004107021 663645843 /nfs/dbraw/zinc/64/58/43/663645843.db2.gz BGQMNUOWQKFKFE-UHFFFAOYSA-N 1 1 320.353 -1.484 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001033038437 663645853 /nfs/dbraw/zinc/64/58/53/663645853.db2.gz QNARQYVNFNDFNG-CHWSQXEVSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001033038437 663645855 /nfs/dbraw/zinc/64/58/55/663645855.db2.gz QNARQYVNFNDFNG-CHWSQXEVSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001004111449 663645884 /nfs/dbraw/zinc/64/58/84/663645884.db2.gz ZNWGCEPIGRYOJJ-MRVPVSSYSA-N 1 1 320.353 -1.357 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001004110041 663645898 /nfs/dbraw/zinc/64/58/98/663645898.db2.gz YUSUGJQZJWTEFW-UHFFFAOYSA-N 1 1 311.342 -2.135 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001004114475 663645928 /nfs/dbraw/zinc/64/59/28/663645928.db2.gz RLITXSDFIDCCNR-UHFFFAOYSA-N 1 1 306.326 -1.745 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001004115397 663645944 /nfs/dbraw/zinc/64/59/44/663645944.db2.gz ZLVOQQIUPHFQTR-SECBINFHSA-N 1 1 310.354 -1.410 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948673502 663646014 /nfs/dbraw/zinc/64/60/14/663646014.db2.gz ASFNTLNSELNWLO-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001033038438 663646125 /nfs/dbraw/zinc/64/61/25/663646125.db2.gz QNARQYVNFNDFNG-OLZOCXBDSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001033038438 663646126 /nfs/dbraw/zinc/64/61/26/663646126.db2.gz QNARQYVNFNDFNG-OLZOCXBDSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004166783 663646697 /nfs/dbraw/zinc/64/66/97/663646697.db2.gz MEVMWQKWWZFZSB-WCBMZHEXSA-N 1 1 318.399 -1.868 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cccnc2C(N)=O)CC1 ZINC001004189890 663646923 /nfs/dbraw/zinc/64/69/23/663646923.db2.gz RLJMNQMDGOVFJN-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033059482 663647078 /nfs/dbraw/zinc/64/70/78/663647078.db2.gz YQWZAPDAKYKOGN-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033059482 663647079 /nfs/dbraw/zinc/64/70/79/663647079.db2.gz YQWZAPDAKYKOGN-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004268957 663647526 /nfs/dbraw/zinc/64/75/26/663647526.db2.gz AGYNJPHZBKABSB-KOLCDFICSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001004218934 663647577 /nfs/dbraw/zinc/64/75/77/663647577.db2.gz KJAQSKIHUGVJEX-VIFPVBQESA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004268958 663647603 /nfs/dbraw/zinc/64/76/03/663647603.db2.gz AGYNJPHZBKABSB-ONGXEEELSA-N 1 1 311.386 -1.016 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004276621 663647705 /nfs/dbraw/zinc/64/77/05/663647705.db2.gz CMICLNORYSLJFL-VIFPVBQESA-N 1 1 310.354 -1.634 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033086202 663648011 /nfs/dbraw/zinc/64/80/11/663648011.db2.gz LJTNBLGATSVVPZ-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033086202 663648013 /nfs/dbraw/zinc/64/80/13/663648013.db2.gz LJTNBLGATSVVPZ-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033083976 663648022 /nfs/dbraw/zinc/64/80/22/663648022.db2.gz BBZRGNDQURHCIK-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033084127 663648030 /nfs/dbraw/zinc/64/80/30/663648030.db2.gz BKORQROAGTWJBI-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1)C1CC1 ZINC001033077854 663648216 /nfs/dbraw/zinc/64/82/16/663648216.db2.gz JHGPIBLYJPILFG-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1)C1CC1 ZINC001033077854 663648220 /nfs/dbraw/zinc/64/82/20/663648220.db2.gz JHGPIBLYJPILFG-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004284846 663648413 /nfs/dbraw/zinc/64/84/13/663648413.db2.gz IOHVNBUUQUAONC-KOLCDFICSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004286036 663648454 /nfs/dbraw/zinc/64/84/54/663648454.db2.gz SNCREUATRWLMNY-RKDXNWHRSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000922703064 663648686 /nfs/dbraw/zinc/64/86/86/663648686.db2.gz UFLPBEPSYUBDGX-UWVGGRQHSA-N 1 1 307.420 -1.226 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004284844 663648727 /nfs/dbraw/zinc/64/87/27/663648727.db2.gz IOHVNBUUQUAONC-GXSJLCMTSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033096197 663648839 /nfs/dbraw/zinc/64/88/39/663648839.db2.gz KSPIYNITBRJYBP-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)CC[C@@H]2C1 ZINC000946590380 663648877 /nfs/dbraw/zinc/64/88/77/663648877.db2.gz AHAQEMYRUJALLH-PHIMTYICSA-N 1 1 307.358 -1.671 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004463969 663649498 /nfs/dbraw/zinc/64/94/98/663649498.db2.gz YKWZEQDWCRJABL-WOPDTQHZSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004463969 663649501 /nfs/dbraw/zinc/64/95/01/663649501.db2.gz YKWZEQDWCRJABL-WOPDTQHZSA-N 1 1 324.381 -1.987 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001004446391 663649572 /nfs/dbraw/zinc/64/95/72/663649572.db2.gz YOAGTJHPSVFDNS-KOLCDFICSA-N 1 1 321.385 -1.404 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)C2 ZINC001004457217 663649911 /nfs/dbraw/zinc/64/99/11/663649911.db2.gz NFQVSNVBGYNBLO-LLVKDONJSA-N 1 1 319.365 -1.186 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125196 663650911 /nfs/dbraw/zinc/65/09/11/663650911.db2.gz AREZKSXFNYNNGY-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033162907 663652858 /nfs/dbraw/zinc/65/28/58/663652858.db2.gz VIMOBXBTMVAYPJ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033162907 663652860 /nfs/dbraw/zinc/65/28/60/663652860.db2.gz VIMOBXBTMVAYPJ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001004775529 663653205 /nfs/dbraw/zinc/65/32/05/663653205.db2.gz RTRQXPWRKUBYRG-UWVGGRQHSA-N 1 1 309.374 -1.055 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)CC[C@@H]2C1 ZINC000946723869 663653347 /nfs/dbraw/zinc/65/33/47/663653347.db2.gz YKJCNBBCZQLFQS-MXWKQRLJSA-N 1 1 321.385 -1.132 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)NC1=O ZINC000946714375 663653491 /nfs/dbraw/zinc/65/34/91/663653491.db2.gz RGURQQUGZTVHIX-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)n1 ZINC000946722810 663653529 /nfs/dbraw/zinc/65/35/29/663653529.db2.gz BECHQJZTIDWMAM-AOOOYVTPSA-N 1 1 307.358 -1.521 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743650 663653994 /nfs/dbraw/zinc/65/39/94/663653994.db2.gz XTTZPBVDZRZDGB-NNYUYHANSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946752002 663654432 /nfs/dbraw/zinc/65/44/32/663654432.db2.gz NXDCIQCIGHNZLR-TXEJJXNPSA-N 1 1 306.370 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208999 663654784 /nfs/dbraw/zinc/65/47/84/663654784.db2.gz WADVEBGFFPRTGF-NXEZZACHSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208999 663654787 /nfs/dbraw/zinc/65/47/87/663654787.db2.gz WADVEBGFFPRTGF-NXEZZACHSA-N 1 1 310.358 -2.012 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033212835 663655148 /nfs/dbraw/zinc/65/51/48/663655148.db2.gz CTTVFQFLUJABFF-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033212835 663655149 /nfs/dbraw/zinc/65/51/49/663655149.db2.gz CTTVFQFLUJABFF-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033212114 663655190 /nfs/dbraw/zinc/65/51/90/663655190.db2.gz PXTMFZFEODOHIC-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225200 663655422 /nfs/dbraw/zinc/65/54/22/663655422.db2.gz OEWXZPZGZXPPPQ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225200 663655424 /nfs/dbraw/zinc/65/54/24/663655424.db2.gz OEWXZPZGZXPPPQ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000946770915 663655459 /nfs/dbraw/zinc/65/54/59/663655459.db2.gz VGTCSIMUIVBNSB-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223089 663655693 /nfs/dbraw/zinc/65/56/93/663655693.db2.gz UNLKJWSDXWNNHC-PSASIEDQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223089 663655694 /nfs/dbraw/zinc/65/56/94/663655694.db2.gz UNLKJWSDXWNNHC-PSASIEDQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223089 663655696 /nfs/dbraw/zinc/65/56/96/663655696.db2.gz UNLKJWSDXWNNHC-PSASIEDQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223089 663655698 /nfs/dbraw/zinc/65/56/98/663655698.db2.gz UNLKJWSDXWNNHC-PSASIEDQSA-N 1 1 306.326 -1.244 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225196 663655746 /nfs/dbraw/zinc/65/57/46/663655746.db2.gz OEWXZPZGZXPPPQ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225196 663655748 /nfs/dbraw/zinc/65/57/48/663655748.db2.gz OEWXZPZGZXPPPQ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)C1=O ZINC000625627623 663656573 /nfs/dbraw/zinc/65/65/73/663656573.db2.gz VOEYNKZQLSXBNR-MVWJERBFSA-N 1 1 323.353 -1.216 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)C1=O ZINC000625627623 663656578 /nfs/dbraw/zinc/65/65/78/663656578.db2.gz VOEYNKZQLSXBNR-MVWJERBFSA-N 1 1 323.353 -1.216 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005088121 663657525 /nfs/dbraw/zinc/65/75/25/663657525.db2.gz LNHQUKWIOIDDMT-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946801105 663657832 /nfs/dbraw/zinc/65/78/32/663657832.db2.gz ZKEOUNPQWNITQD-TUAOUCFPSA-N 1 1 324.381 -1.253 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005088594 663658010 /nfs/dbraw/zinc/65/80/10/663658010.db2.gz NTFFKMVEMLBQOT-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033329395 663658263 /nfs/dbraw/zinc/65/82/63/663658263.db2.gz ULGNNZCAHLGJBK-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033329395 663658264 /nfs/dbraw/zinc/65/82/64/663658264.db2.gz ULGNNZCAHLGJBK-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327950 663658504 /nfs/dbraw/zinc/65/85/04/663658504.db2.gz LYUNLAQGGBCFKK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328146 663658508 /nfs/dbraw/zinc/65/85/08/663658508.db2.gz MUCRKXWSLWBVOF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033337041 663658747 /nfs/dbraw/zinc/65/87/47/663658747.db2.gz DDBJXHXLEXOZTH-IUCAKERBSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033337041 663658749 /nfs/dbraw/zinc/65/87/49/663658749.db2.gz DDBJXHXLEXOZTH-IUCAKERBSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033334777 663659102 /nfs/dbraw/zinc/65/91/02/663659102.db2.gz WURVNZKRACMOOW-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033379620 663659327 /nfs/dbraw/zinc/65/93/27/663659327.db2.gz NIVIZOLBULFRHD-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033379620 663659328 /nfs/dbraw/zinc/65/93/28/663659328.db2.gz NIVIZOLBULFRHD-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033347256 663659338 /nfs/dbraw/zinc/65/93/38/663659338.db2.gz XKJUDRGQWQCZIK-NXEZZACHSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033347256 663659340 /nfs/dbraw/zinc/65/93/40/663659340.db2.gz XKJUDRGQWQCZIK-NXEZZACHSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033338478 663659520 /nfs/dbraw/zinc/65/95/20/663659520.db2.gz BOANJFMKIXILMI-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347699 663659558 /nfs/dbraw/zinc/65/95/58/663659558.db2.gz ZKTJYECMAPCSTN-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347699 663659560 /nfs/dbraw/zinc/65/95/60/663659560.db2.gz ZKTJYECMAPCSTN-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033372909 663659851 /nfs/dbraw/zinc/65/98/51/663659851.db2.gz KUZMTESFZRNQID-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374179 663659893 /nfs/dbraw/zinc/65/98/93/663659893.db2.gz URRZONCYXFPIHR-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374179 663659894 /nfs/dbraw/zinc/65/98/94/663659894.db2.gz URRZONCYXFPIHR-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001033375122 663659908 /nfs/dbraw/zinc/65/99/08/663659908.db2.gz CAMJZALEAYDFAE-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001033375122 663659911 /nfs/dbraw/zinc/65/99/11/663659911.db2.gz CAMJZALEAYDFAE-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001033375895 663660203 /nfs/dbraw/zinc/66/02/03/663660203.db2.gz KNXAWJZTSKWXQM-MNOVXSKESA-N 1 1 312.370 -2.012 20 0 DAADMO CN(C(=O)c1c[nH]nc1S(N)(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033409125 663660561 /nfs/dbraw/zinc/66/05/61/663660561.db2.gz FKHOXKNFHGSDKU-MRVPVSSYSA-N 1 1 317.371 -1.804 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033469854 663661038 /nfs/dbraw/zinc/66/10/38/663661038.db2.gz RDXKFYXOIBPJFT-SECBINFHSA-N 1 1 312.326 -2.068 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CC[N@H+](CCF)C1 ZINC001033470269 663661182 /nfs/dbraw/zinc/66/11/82/663661182.db2.gz VDWFIJDQJRQICU-VIFPVBQESA-N 1 1 314.317 -1.091 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CC[N@@H+](CCF)C1 ZINC001033470269 663661184 /nfs/dbraw/zinc/66/11/84/663661184.db2.gz VDWFIJDQJRQICU-VIFPVBQESA-N 1 1 314.317 -1.091 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033428734 663661197 /nfs/dbraw/zinc/66/11/97/663661197.db2.gz FPZAWLASCZVNLM-UTUOFQBUSA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033428734 663661198 /nfs/dbraw/zinc/66/11/98/663661198.db2.gz FPZAWLASCZVNLM-UTUOFQBUSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501811 663661691 /nfs/dbraw/zinc/66/16/91/663661691.db2.gz IWQQXWWREJHVQQ-GHMZBOCLSA-N 1 1 324.381 -1.164 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501811 663661694 /nfs/dbraw/zinc/66/16/94/663661694.db2.gz IWQQXWWREJHVQQ-GHMZBOCLSA-N 1 1 324.381 -1.164 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033429732 663661730 /nfs/dbraw/zinc/66/17/30/663661730.db2.gz QUKZJAXSDSKMEO-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033429732 663661731 /nfs/dbraw/zinc/66/17/31/663661731.db2.gz QUKZJAXSDSKMEO-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502999 663661791 /nfs/dbraw/zinc/66/17/91/663661791.db2.gz UUDKRBNRDPVZKK-WCBMZHEXSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502999 663661794 /nfs/dbraw/zinc/66/17/94/663661794.db2.gz UUDKRBNRDPVZKK-WCBMZHEXSA-N 1 1 310.354 -1.554 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507511 663661905 /nfs/dbraw/zinc/66/19/05/663661905.db2.gz HYRZTPIKFYRZGM-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507511 663661908 /nfs/dbraw/zinc/66/19/08/663661908.db2.gz HYRZTPIKFYRZGM-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033501927 663662363 /nfs/dbraw/zinc/66/23/63/663662363.db2.gz JVXNKLLHEHIMNQ-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033501927 663662364 /nfs/dbraw/zinc/66/23/64/663662364.db2.gz JVXNKLLHEHIMNQ-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501818 663662378 /nfs/dbraw/zinc/66/23/78/663662378.db2.gz IWQQXWWREJHVQQ-WDEREUQCSA-N 1 1 324.381 -1.164 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501818 663662379 /nfs/dbraw/zinc/66/23/79/663662379.db2.gz IWQQXWWREJHVQQ-WDEREUQCSA-N 1 1 324.381 -1.164 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033502165 663662395 /nfs/dbraw/zinc/66/23/95/663662395.db2.gz NHRXTOJXMQCFHT-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033500216 663662398 /nfs/dbraw/zinc/66/23/98/663662398.db2.gz XWYKKOLRBNHGRX-XIRUVYRFSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033503223 663662415 /nfs/dbraw/zinc/66/24/15/663662415.db2.gz UQQNCNCWAWJUDO-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001033555802 663663050 /nfs/dbraw/zinc/66/30/50/663663050.db2.gz BOPYSSUOZUIKKA-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H]1CC[N@@H+](CCO)C1 ZINC001033566055 663663060 /nfs/dbraw/zinc/66/30/60/663663060.db2.gz ICVYQMVZFSHMMI-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033567612 663663089 /nfs/dbraw/zinc/66/30/89/663663089.db2.gz ACLFPOBLXAYJEJ-NSHDSACASA-N 1 1 321.385 -1.095 20 0 DAADMO CN(C(=O)CN1CCC(=O)NC1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033555783 663663108 /nfs/dbraw/zinc/66/31/08/663663108.db2.gz BJYQZMGKPBBTBH-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001033555801 663663128 /nfs/dbraw/zinc/66/31/28/663663128.db2.gz BOPYSSUOZUIKKA-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033575442 663663650 /nfs/dbraw/zinc/66/36/50/663663650.db2.gz AJZZORMRXRJUQH-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033584337 663663992 /nfs/dbraw/zinc/66/39/92/663663992.db2.gz ZRKWFSSERLSRNF-SECBINFHSA-N 1 1 306.326 -1.444 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001033584128 663664156 /nfs/dbraw/zinc/66/41/56/663664156.db2.gz WHVJYKTZYWXRMV-ZJUUUORDSA-N 1 1 320.353 -1.055 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001033599283 663664651 /nfs/dbraw/zinc/66/46/51/663664651.db2.gz NBRMPYVOLNKGKZ-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001033599283 663664652 /nfs/dbraw/zinc/66/46/52/663664652.db2.gz NBRMPYVOLNKGKZ-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646562 663664846 /nfs/dbraw/zinc/66/48/46/663664846.db2.gz OMZXPDNLMNSYAF-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646562 663664848 /nfs/dbraw/zinc/66/48/48/663664848.db2.gz OMZXPDNLMNSYAF-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642184 663664972 /nfs/dbraw/zinc/66/49/72/663664972.db2.gz JIXIXZWUTOADNR-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642184 663664974 /nfs/dbraw/zinc/66/49/74/663664974.db2.gz JIXIXZWUTOADNR-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001033626685 663665010 /nfs/dbraw/zinc/66/50/10/663665010.db2.gz UNOISSGBCBCHRJ-CMPLNLGQSA-N 1 1 311.386 -1.196 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033639877 663665093 /nfs/dbraw/zinc/66/50/93/663665093.db2.gz JCXIAYJXUMHXGZ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033639877 663665096 /nfs/dbraw/zinc/66/50/96/663665096.db2.gz JCXIAYJXUMHXGZ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033639880 663665143 /nfs/dbraw/zinc/66/51/43/663665143.db2.gz JCXIAYJXUMHXGZ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033639880 663665147 /nfs/dbraw/zinc/66/51/47/663665147.db2.gz JCXIAYJXUMHXGZ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641116 663665171 /nfs/dbraw/zinc/66/51/71/663665171.db2.gz XDAOCBIGPQACGI-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641116 663665173 /nfs/dbraw/zinc/66/51/73/663665173.db2.gz XDAOCBIGPQACGI-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642182 663665218 /nfs/dbraw/zinc/66/52/18/663665218.db2.gz JIXIXZWUTOADNR-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642182 663665219 /nfs/dbraw/zinc/66/52/19/663665219.db2.gz JIXIXZWUTOADNR-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033644666 663665442 /nfs/dbraw/zinc/66/54/42/663665442.db2.gz ORROBMJEIQCYLF-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033644666 663665444 /nfs/dbraw/zinc/66/54/44/663665444.db2.gz ORROBMJEIQCYLF-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033642744 663665588 /nfs/dbraw/zinc/66/55/88/663665588.db2.gz SGMPQDJNRWZZOF-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033642744 663665590 /nfs/dbraw/zinc/66/55/90/663665590.db2.gz SGMPQDJNRWZZOF-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645599 663665933 /nfs/dbraw/zinc/66/59/33/663665933.db2.gz DNJDSOUYESPBMF-VHSXEESVSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645599 663665936 /nfs/dbraw/zinc/66/59/36/663665936.db2.gz DNJDSOUYESPBMF-VHSXEESVSA-N 1 1 310.354 -1.458 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033645347 663666060 /nfs/dbraw/zinc/66/60/60/663666060.db2.gz BYJSBBZANLFWLE-GHMZBOCLSA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033645347 663666062 /nfs/dbraw/zinc/66/60/62/663666062.db2.gz BYJSBBZANLFWLE-GHMZBOCLSA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033644824 663666108 /nfs/dbraw/zinc/66/61/08/663666108.db2.gz QOVYTYZWSSWYAZ-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033644824 663666110 /nfs/dbraw/zinc/66/61/10/663666110.db2.gz QOVYTYZWSSWYAZ-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033676313 663666121 /nfs/dbraw/zinc/66/61/21/663666121.db2.gz WBHBOALGYOVFOW-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033642801 663666147 /nfs/dbraw/zinc/66/61/47/663666147.db2.gz PAUUMOWGJKDZIG-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033683569 663666410 /nfs/dbraw/zinc/66/64/10/663666410.db2.gz ABJPIZIZPPUHTK-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684051 663666813 /nfs/dbraw/zinc/66/68/13/663666813.db2.gz CGLRZUDBXATPOJ-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CCN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033795355 663667045 /nfs/dbraw/zinc/66/70/45/663667045.db2.gz NWXDCVNGWKHSCR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@@H]1COCCN1C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033795355 663667049 /nfs/dbraw/zinc/66/70/49/663667049.db2.gz NWXDCVNGWKHSCR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033715682 663667191 /nfs/dbraw/zinc/66/71/91/663667191.db2.gz PJUYXRVWQSWVTF-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033715682 663667196 /nfs/dbraw/zinc/66/71/96/663667196.db2.gz PJUYXRVWQSWVTF-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005332844 663667248 /nfs/dbraw/zinc/66/72/48/663667248.db2.gz AKYSEGSCPOYUMK-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CCN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033795353 663667353 /nfs/dbraw/zinc/66/73/53/663667353.db2.gz NWXDCVNGWKHSCR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@H]1COCCN1C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033795353 663667357 /nfs/dbraw/zinc/66/73/57/663667357.db2.gz NWXDCVNGWKHSCR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033926217 663667781 /nfs/dbraw/zinc/66/77/81/663667781.db2.gz ALJKDXNQLAVMRI-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033926217 663667784 /nfs/dbraw/zinc/66/77/84/663667784.db2.gz ALJKDXNQLAVMRI-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771433 663667951 /nfs/dbraw/zinc/66/79/51/663667951.db2.gz YBERGKXDEJMYQW-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014771433 663667953 /nfs/dbraw/zinc/66/79/53/663667953.db2.gz YBERGKXDEJMYQW-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033921679 663668000 /nfs/dbraw/zinc/66/80/00/663668000.db2.gz DMEZHGFDAKVMPB-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033921679 663668002 /nfs/dbraw/zinc/66/80/02/663668002.db2.gz DMEZHGFDAKVMPB-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001033936891 663668507 /nfs/dbraw/zinc/66/85/07/663668507.db2.gz CZJQGGPRBLUMMU-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001033936891 663668509 /nfs/dbraw/zinc/66/85/09/663668509.db2.gz CZJQGGPRBLUMMU-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033937059 663668560 /nfs/dbraw/zinc/66/85/60/663668560.db2.gz FRVWVZIFEGDCCD-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033937059 663668561 /nfs/dbraw/zinc/66/85/61/663668561.db2.gz FRVWVZIFEGDCCD-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033986462 663668571 /nfs/dbraw/zinc/66/85/71/663668571.db2.gz RTICZTBBMNLXMO-ONGXEEELSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033986462 663668572 /nfs/dbraw/zinc/66/85/72/663668572.db2.gz RTICZTBBMNLXMO-ONGXEEELSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033936386 663668577 /nfs/dbraw/zinc/66/85/77/663668577.db2.gz ABEGINCLCRSPEX-NWDGAFQWSA-N 1 1 321.385 -1.118 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001033936889 663668644 /nfs/dbraw/zinc/66/86/44/663668644.db2.gz CZJQGGPRBLUMMU-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001033936889 663668645 /nfs/dbraw/zinc/66/86/45/663668645.db2.gz CZJQGGPRBLUMMU-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034049212 663668985 /nfs/dbraw/zinc/66/89/85/663668985.db2.gz LQLTVLACNMCEEJ-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034043331 663668991 /nfs/dbraw/zinc/66/89/91/663668991.db2.gz DJNUYIRXBKUKIT-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034048012 663669212 /nfs/dbraw/zinc/66/92/12/663669212.db2.gz DFSLTFCDQJTYHG-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034095349 663669222 /nfs/dbraw/zinc/66/92/22/663669222.db2.gz TZHSECCYYOZYIY-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034095349 663669224 /nfs/dbraw/zinc/66/92/24/663669224.db2.gz TZHSECCYYOZYIY-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001034049657 663669346 /nfs/dbraw/zinc/66/93/46/663669346.db2.gz SPDNEHNROPNWCY-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034048014 663669388 /nfs/dbraw/zinc/66/93/88/663669388.db2.gz DFSLTFCDQJTYHG-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220273 663669642 /nfs/dbraw/zinc/66/96/42/663669642.db2.gz SRNGJLPWKMZPQL-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034173492 663669673 /nfs/dbraw/zinc/66/96/73/663669673.db2.gz BULRYYHWEZRECI-JTQLQIEISA-N 1 1 310.358 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034173492 663669675 /nfs/dbraw/zinc/66/96/75/663669675.db2.gz BULRYYHWEZRECI-JTQLQIEISA-N 1 1 310.358 -1.300 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001034209236 663669785 /nfs/dbraw/zinc/66/97/85/663669785.db2.gz YMWNMUDNUBFEMR-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220275 663669852 /nfs/dbraw/zinc/66/98/52/663669852.db2.gz SRNGJLPWKMZPQL-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+](CC(=O)N2CCC2)C1 ZINC001034210427 663669861 /nfs/dbraw/zinc/66/98/61/663669861.db2.gz GVNHCSRGNDVCGM-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001034210427 663669864 /nfs/dbraw/zinc/66/98/64/663669864.db2.gz GVNHCSRGNDVCGM-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001034209018 663669936 /nfs/dbraw/zinc/66/99/36/663669936.db2.gz WKHLDCYANOBZGR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)c1=O ZINC001034278845 663670086 /nfs/dbraw/zinc/67/00/86/663670086.db2.gz GEQPJMCFHNTNTP-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)cc1=O ZINC001034250879 663670295 /nfs/dbraw/zinc/67/02/95/663670295.db2.gz YBJHOFWMBCOPKV-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001034250879 663670299 /nfs/dbraw/zinc/67/02/99/663670299.db2.gz YBJHOFWMBCOPKV-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279960 663670377 /nfs/dbraw/zinc/67/03/77/663670377.db2.gz SIIWGGWHWRHURQ-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)c1=O ZINC001034232925 663670422 /nfs/dbraw/zinc/67/04/22/663670422.db2.gz ZHVSOZOLEHRJHA-GFCCVEGCSA-N 1 1 324.381 -1.490 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279873 663670446 /nfs/dbraw/zinc/67/04/46/663670446.db2.gz QKKAFDYSLZLOGW-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279873 663670448 /nfs/dbraw/zinc/67/04/48/663670448.db2.gz QKKAFDYSLZLOGW-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001034292373 663670509 /nfs/dbraw/zinc/67/05/09/663670509.db2.gz DWSPOXOUJPOGOX-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001034292373 663670511 /nfs/dbraw/zinc/67/05/11/663670511.db2.gz DWSPOXOUJPOGOX-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279871 663670599 /nfs/dbraw/zinc/67/05/99/663670599.db2.gz QKKAFDYSLZLOGW-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279871 663670601 /nfs/dbraw/zinc/67/06/01/663670601.db2.gz QKKAFDYSLZLOGW-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231519 663670624 /nfs/dbraw/zinc/67/06/24/663670624.db2.gz PIZYYMKEBHFAAR-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231519 663670626 /nfs/dbraw/zinc/67/06/26/663670626.db2.gz PIZYYMKEBHFAAR-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001034246118 663670672 /nfs/dbraw/zinc/67/06/72/663670672.db2.gz CFWXKSSSNKVOPR-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001034246118 663670675 /nfs/dbraw/zinc/67/06/75/663670675.db2.gz CFWXKSSSNKVOPR-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231522 663670750 /nfs/dbraw/zinc/67/07/50/663670750.db2.gz PIZYYMKEBHFAAR-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231522 663670752 /nfs/dbraw/zinc/67/07/52/663670752.db2.gz PIZYYMKEBHFAAR-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379765 663671008 /nfs/dbraw/zinc/67/10/08/663671008.db2.gz QOICYEOEWOTTJZ-VXGBXAGGSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379765 663671010 /nfs/dbraw/zinc/67/10/10/663671010.db2.gz QOICYEOEWOTTJZ-VXGBXAGGSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379225 663671031 /nfs/dbraw/zinc/67/10/31/663671031.db2.gz NSCBFFOHZRLIIP-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379225 663671034 /nfs/dbraw/zinc/67/10/34/663671034.db2.gz NSCBFFOHZRLIIP-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034350255 663671059 /nfs/dbraw/zinc/67/10/59/663671059.db2.gz NSLGVNNGEVYWJK-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034350255 663671061 /nfs/dbraw/zinc/67/10/61/663671061.db2.gz NSLGVNNGEVYWJK-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348479 663671098 /nfs/dbraw/zinc/67/10/98/663671098.db2.gz BZDXBIVNGMJNSU-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348479 663671100 /nfs/dbraw/zinc/67/11/00/663671100.db2.gz BZDXBIVNGMJNSU-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO O=C(N[C@H]1CCCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001034377686 663671209 /nfs/dbraw/zinc/67/12/09/663671209.db2.gz FTORZAONXQTEHM-NWDGAFQWSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)c1=O ZINC001034343710 663671439 /nfs/dbraw/zinc/67/14/39/663671439.db2.gz DSGCZYDXKOMEEC-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)c1=O ZINC001034343710 663671441 /nfs/dbraw/zinc/67/14/41/663671441.db2.gz DSGCZYDXKOMEEC-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447021 663671522 /nfs/dbraw/zinc/67/15/22/663671522.db2.gz DOPZYHQHMQUFOZ-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447733 663671581 /nfs/dbraw/zinc/67/15/81/663671581.db2.gz KHXQYEZGJNDTDF-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447733 663671585 /nfs/dbraw/zinc/67/15/85/663671585.db2.gz KHXQYEZGJNDTDF-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)ccc1=O ZINC001034511818 663671727 /nfs/dbraw/zinc/67/17/27/663671727.db2.gz DPXRTWVQKXMNGT-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001034511818 663671731 /nfs/dbraw/zinc/67/17/31/663671731.db2.gz DPXRTWVQKXMNGT-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)ccc1=O ZINC001034511820 663671747 /nfs/dbraw/zinc/67/17/47/663671747.db2.gz DPXRTWVQKXMNGT-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001034511820 663671749 /nfs/dbraw/zinc/67/17/49/663671749.db2.gz DPXRTWVQKXMNGT-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001034509058 663671776 /nfs/dbraw/zinc/67/17/76/663671776.db2.gz MWBIRNHSCAOTBM-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001034509058 663671778 /nfs/dbraw/zinc/67/17/78/663671778.db2.gz MWBIRNHSCAOTBM-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449915 663671846 /nfs/dbraw/zinc/67/18/46/663671846.db2.gz VYMRZQGMMMFFOG-GXSJLCMTSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449915 663671847 /nfs/dbraw/zinc/67/18/47/663671847.db2.gz VYMRZQGMMMFFOG-GXSJLCMTSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515017 663671920 /nfs/dbraw/zinc/67/19/20/663671920.db2.gz DQCHGUDIKKVEBZ-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515017 663671922 /nfs/dbraw/zinc/67/19/22/663671922.db2.gz DQCHGUDIKKVEBZ-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1=O ZINC001034525044 663671934 /nfs/dbraw/zinc/67/19/34/663671934.db2.gz WWXLFCZGNQEMJY-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO O=C(N[C@@H]1CCCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001034486967 663671962 /nfs/dbraw/zinc/67/19/62/663671962.db2.gz MGQWFWIVXJRSBI-SNVBAGLBSA-N 1 1 320.353 -1.006 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001034396816 663672007 /nfs/dbraw/zinc/67/20/07/663672007.db2.gz FVWUYJXQIKWQKR-GARJFASQSA-N 1 1 312.370 -1.525 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001034396816 663672009 /nfs/dbraw/zinc/67/20/09/663672009.db2.gz FVWUYJXQIKWQKR-GARJFASQSA-N 1 1 312.370 -1.525 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034523579 663672012 /nfs/dbraw/zinc/67/20/12/663672012.db2.gz MUGLSFMDECMQPL-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034523579 663672013 /nfs/dbraw/zinc/67/20/13/663672013.db2.gz MUGLSFMDECMQPL-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001034531622 663672025 /nfs/dbraw/zinc/67/20/25/663672025.db2.gz MAXZYFFTTKZEOB-QWRGUYRKSA-N 1 1 305.400 -1.359 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)nn1 ZINC001034544268 663672182 /nfs/dbraw/zinc/67/21/82/663672182.db2.gz PEJFNKCTRYTMDN-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034518484 663672415 /nfs/dbraw/zinc/67/24/15/663672415.db2.gz VSUDYBCMXBJCLJ-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034561053 663672575 /nfs/dbraw/zinc/67/25/75/663672575.db2.gz ZQXTUFXUPOTLMT-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034561053 663672577 /nfs/dbraw/zinc/67/25/77/663672577.db2.gz ZQXTUFXUPOTLMT-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC001005625611 663673035 /nfs/dbraw/zinc/67/30/35/663673035.db2.gz LXFAEUGCBQIOMI-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001005656078 663673383 /nfs/dbraw/zinc/67/33/83/663673383.db2.gz CQZVARUBZRXISC-UTUOFQBUSA-N 1 1 324.381 -1.558 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001034736399 663674363 /nfs/dbraw/zinc/67/43/63/663674363.db2.gz YBPUBIPIWVKCGU-DBIOUOCHSA-N 1 1 321.385 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797883 663674818 /nfs/dbraw/zinc/67/48/18/663674818.db2.gz VQEURWFSKLZORU-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797883 663674820 /nfs/dbraw/zinc/67/48/20/663674820.db2.gz VQEURWFSKLZORU-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797884 663674879 /nfs/dbraw/zinc/67/48/79/663674879.db2.gz VQEURWFSKLZORU-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797884 663674881 /nfs/dbraw/zinc/67/48/81/663674881.db2.gz VQEURWFSKLZORU-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cnnn2)nn1 ZINC001034855027 663675030 /nfs/dbraw/zinc/67/50/30/663675030.db2.gz QMGQQVSYGDGCNV-LLVKDONJSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001034879950 663675121 /nfs/dbraw/zinc/67/51/21/663675121.db2.gz OTSZZXHHMNHYMM-NXEZZACHSA-N 1 1 307.358 -1.431 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001034911488 663675130 /nfs/dbraw/zinc/67/51/30/663675130.db2.gz FRCZNWBIURZWFP-SECBINFHSA-N 1 1 321.345 -1.712 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1=O ZINC001034855336 663675277 /nfs/dbraw/zinc/67/52/77/663675277.db2.gz XSROJPVYSNPRKH-LLVKDONJSA-N 1 1 321.385 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCCN1C ZINC001034911610 663675292 /nfs/dbraw/zinc/67/52/92/663675292.db2.gz NZLSOASESUGNCO-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001034905002 663675301 /nfs/dbraw/zinc/67/53/01/663675301.db2.gz KQEVAIOSHNIDMI-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001034855019 663675303 /nfs/dbraw/zinc/67/53/03/663675303.db2.gz QAZDZWNPLSFFOZ-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1)c1nnnn1C ZINC001034854956 663675418 /nfs/dbraw/zinc/67/54/18/663675418.db2.gz MVYRCUYGROFSSX-VHSXEESVSA-N 1 1 320.361 -1.462 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)CC1=O ZINC001034951627 663675758 /nfs/dbraw/zinc/67/57/58/663675758.db2.gz OOGABYCPAGFNLG-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001034927733 663675828 /nfs/dbraw/zinc/67/58/28/663675828.db2.gz UZFBOGDOIXHGNB-BDAKNGLRSA-N 1 1 309.330 -1.601 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001034955111 663675908 /nfs/dbraw/zinc/67/59/08/663675908.db2.gz ZUYVMZKDOVBWOL-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cnon2)c1=O ZINC001034978872 663676050 /nfs/dbraw/zinc/67/60/50/663676050.db2.gz XJANSJNNSXWRAC-LLVKDONJSA-N 1 1 321.341 -1.254 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1)c1nnnn1C ZINC001034938189 663676092 /nfs/dbraw/zinc/67/60/92/663676092.db2.gz JBXFCSSNFZEXDY-NXEZZACHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001034966221 663676474 /nfs/dbraw/zinc/67/64/74/663676474.db2.gz LPBNAAVUOYFVNN-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)c1nnn(C)n1)c1nnnn1C ZINC001035018550 663676568 /nfs/dbraw/zinc/67/65/68/663676568.db2.gz JZSMXDCTAHEOIG-RKDXNWHRSA-N 1 1 320.361 -1.311 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001035030836 663677068 /nfs/dbraw/zinc/67/70/68/663677068.db2.gz OAJFLEXRVWUTQZ-MNOVXSKESA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCn2cnnn2)n1 ZINC001035085228 663677135 /nfs/dbraw/zinc/67/71/35/663677135.db2.gz RFXVMZIAVZNFOX-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035220915 663677603 /nfs/dbraw/zinc/67/76/03/663677603.db2.gz PGQRGFNJOWBNEH-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035221149 663677668 /nfs/dbraw/zinc/67/76/68/663677668.db2.gz WOJWDEUNCXKRCN-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001035121371 663677777 /nfs/dbraw/zinc/67/77/77/663677777.db2.gz BXEZBBRJNQLREU-SNVBAGLBSA-N 1 1 322.325 -1.298 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035220412 663677836 /nfs/dbraw/zinc/67/78/36/663677836.db2.gz DHYHRCMUUPXUPH-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C)C(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035306479 663678533 /nfs/dbraw/zinc/67/85/33/663678533.db2.gz KHZJRMNSGBQOSF-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035329108 663679294 /nfs/dbraw/zinc/67/92/94/663679294.db2.gz ZMNZOTPLMYGIDR-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035329108 663679295 /nfs/dbraw/zinc/67/92/95/663679295.db2.gz ZMNZOTPLMYGIDR-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO COCCN1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035325782 663679300 /nfs/dbraw/zinc/67/93/00/663679300.db2.gz CKXQCULKIGLNDE-QWHCGFSZSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035325782 663679301 /nfs/dbraw/zinc/67/93/01/663679301.db2.gz CKXQCULKIGLNDE-QWHCGFSZSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035325785 663679327 /nfs/dbraw/zinc/67/93/27/663679327.db2.gz CKXQCULKIGLNDE-STQMWFEESA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035325785 663679331 /nfs/dbraw/zinc/67/93/31/663679331.db2.gz CKXQCULKIGLNDE-STQMWFEESA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035325778 663679394 /nfs/dbraw/zinc/67/93/94/663679394.db2.gz CKXQCULKIGLNDE-CHWSQXEVSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035325778 663679398 /nfs/dbraw/zinc/67/93/98/663679398.db2.gz CKXQCULKIGLNDE-CHWSQXEVSA-N 1 1 301.387 -1.220 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035329106 663679487 /nfs/dbraw/zinc/67/94/87/663679487.db2.gz ZMNZOTPLMYGIDR-NWDGAFQWSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035329106 663679489 /nfs/dbraw/zinc/67/94/89/663679489.db2.gz ZMNZOTPLMYGIDR-NWDGAFQWSA-N 1 1 314.386 -2.120 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)O1 ZINC001035414507 663682408 /nfs/dbraw/zinc/68/24/08/663682408.db2.gz ALRJDZAJKWJLPB-GRYCIOLGSA-N 1 1 314.386 -1.992 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)O1 ZINC001035414507 663682409 /nfs/dbraw/zinc/68/24/09/663682409.db2.gz ALRJDZAJKWJLPB-GRYCIOLGSA-N 1 1 314.386 -1.992 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435699 663682749 /nfs/dbraw/zinc/68/27/49/663682749.db2.gz MGJLLBMBPVGOAJ-JQWIXIFHSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435699 663682752 /nfs/dbraw/zinc/68/27/52/663682752.db2.gz MGJLLBMBPVGOAJ-JQWIXIFHSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435696 663682855 /nfs/dbraw/zinc/68/28/55/663682855.db2.gz MGJLLBMBPVGOAJ-CMPLNLGQSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435696 663682858 /nfs/dbraw/zinc/68/28/58/663682858.db2.gz MGJLLBMBPVGOAJ-CMPLNLGQSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449469 663683221 /nfs/dbraw/zinc/68/32/21/663683221.db2.gz KRKFCUXRMXAPHH-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449469 663683223 /nfs/dbraw/zinc/68/32/23/663683223.db2.gz KRKFCUXRMXAPHH-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCOC3)CCO2)n1 ZINC001035475125 663683736 /nfs/dbraw/zinc/68/37/36/663683736.db2.gz MVKKIDNGQVNNCB-GHMZBOCLSA-N 1 1 310.358 -1.323 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)n1 ZINC001035475125 663683737 /nfs/dbraw/zinc/68/37/37/663683737.db2.gz MVKKIDNGQVNNCB-GHMZBOCLSA-N 1 1 310.358 -1.323 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035480730 663684280 /nfs/dbraw/zinc/68/42/80/663684280.db2.gz AWPABXWEFYIOLT-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035480729 663684302 /nfs/dbraw/zinc/68/43/02/663684302.db2.gz AWPABXWEFYIOLT-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)NC1=O ZINC001035467793 663684556 /nfs/dbraw/zinc/68/45/56/663684556.db2.gz RFCIOUPPSAYPRA-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)NC1=O ZINC001035467793 663684557 /nfs/dbraw/zinc/68/45/57/663684557.db2.gz RFCIOUPPSAYPRA-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)O1 ZINC001035507159 663685345 /nfs/dbraw/zinc/68/53/45/663685345.db2.gz FHDAAEBJDNJXOP-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)O1 ZINC001035507159 663685346 /nfs/dbraw/zinc/68/53/46/663685346.db2.gz FHDAAEBJDNJXOP-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035532246 663685956 /nfs/dbraw/zinc/68/59/56/663685956.db2.gz WXGNKBJMNDFTLR-NSHDSACASA-N 1 1 324.381 -1.077 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035532246 663685959 /nfs/dbraw/zinc/68/59/59/663685959.db2.gz WXGNKBJMNDFTLR-NSHDSACASA-N 1 1 324.381 -1.077 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541263 663686000 /nfs/dbraw/zinc/68/60/00/663686000.db2.gz GJYYGUZBSQQOSO-MWLCHTKSSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541263 663686001 /nfs/dbraw/zinc/68/60/01/663686001.db2.gz GJYYGUZBSQQOSO-MWLCHTKSSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541264 663686052 /nfs/dbraw/zinc/68/60/52/663686052.db2.gz GJYYGUZBSQQOSO-ONGXEEELSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541264 663686054 /nfs/dbraw/zinc/68/60/54/663686054.db2.gz GJYYGUZBSQQOSO-ONGXEEELSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541261 663686123 /nfs/dbraw/zinc/68/61/23/663686123.db2.gz GJYYGUZBSQQOSO-GXSJLCMTSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541261 663686124 /nfs/dbraw/zinc/68/61/24/663686124.db2.gz GJYYGUZBSQQOSO-GXSJLCMTSA-N 1 1 313.354 -1.763 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)c1 ZINC001035557462 663687048 /nfs/dbraw/zinc/68/70/48/663687048.db2.gz FKDJZQLZDPMIIX-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)c1 ZINC001035557462 663687050 /nfs/dbraw/zinc/68/70/50/663687050.db2.gz FKDJZQLZDPMIIX-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO Cn1nnnc1CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035599403 663687248 /nfs/dbraw/zinc/68/72/48/663687248.db2.gz IIVUYPVGEQDIHW-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CCO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001035601193 663687363 /nfs/dbraw/zinc/68/73/63/663687363.db2.gz ZGFWOOCXQVSUKZ-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616422 663689445 /nfs/dbraw/zinc/68/94/45/663689445.db2.gz KDOYNWDOBIREMN-GHMZBOCLSA-N 1 1 312.370 -1.465 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616422 663689449 /nfs/dbraw/zinc/68/94/49/663689449.db2.gz KDOYNWDOBIREMN-GHMZBOCLSA-N 1 1 312.370 -1.465 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035646225 663689458 /nfs/dbraw/zinc/68/94/58/663689458.db2.gz XWHJCBIHNARKPG-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035615230 663689475 /nfs/dbraw/zinc/68/94/75/663689475.db2.gz XCYJPFPBHYGXGT-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035615230 663689478 /nfs/dbraw/zinc/68/94/78/663689478.db2.gz XCYJPFPBHYGXGT-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC001035695796 663689729 /nfs/dbraw/zinc/68/97/29/663689729.db2.gz ZWMINVXBOYNWGD-UWVGGRQHSA-N 1 1 310.354 -1.107 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035694974 663689885 /nfs/dbraw/zinc/68/98/85/663689885.db2.gz HXSUXMNBVKWRRW-MNOVXSKESA-N 1 1 322.365 -1.092 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CC2CC2)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615363 663689909 /nfs/dbraw/zinc/68/99/09/663689909.db2.gz YYPWDXRYRODOJO-NEPJUHHUSA-N 1 1 317.411 -1.095 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035709016 663690160 /nfs/dbraw/zinc/69/01/60/663690160.db2.gz LYMTWYZQLRVSQX-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035771045 663690222 /nfs/dbraw/zinc/69/02/22/663690222.db2.gz NXJLBUAZBDOMSH-SECBINFHSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC001035764731 663690284 /nfs/dbraw/zinc/69/02/84/663690284.db2.gz KRAIANAFPBFNRK-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC001035768686 663690319 /nfs/dbraw/zinc/69/03/19/663690319.db2.gz LDEFYXYXTSCHMZ-MNOVXSKESA-N 1 1 323.397 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035710477 663690343 /nfs/dbraw/zinc/69/03/43/663690343.db2.gz YXVNPRUPGIEUGK-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035779956 663690355 /nfs/dbraw/zinc/69/03/55/663690355.db2.gz UNFYGOZLSDJNLF-NXEZZACHSA-N 1 1 309.370 -1.534 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035781548 663690359 /nfs/dbraw/zinc/69/03/59/663690359.db2.gz GYHNKTWZHOCESK-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CCn1cnnn1)CC2 ZINC001035823835 663690520 /nfs/dbraw/zinc/69/05/20/663690520.db2.gz NLJWBNMVORGXAT-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CCn1cnnn1)CC2 ZINC001035823740 663690633 /nfs/dbraw/zinc/69/06/33/663690633.db2.gz KNTPIIRSFIDQBH-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782781 663690661 /nfs/dbraw/zinc/69/06/61/663690661.db2.gz SFKXJSVZUZCLFQ-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035798958 663690782 /nfs/dbraw/zinc/69/07/82/663690782.db2.gz VDBOOUCWMHXWNL-GRYCIOLGSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036057878 663691396 /nfs/dbraw/zinc/69/13/96/663691396.db2.gz XRNKOTICBIUUTI-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036057876 663691548 /nfs/dbraw/zinc/69/15/48/663691548.db2.gz XRNKOTICBIUUTI-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036057879 663691619 /nfs/dbraw/zinc/69/16/19/663691619.db2.gz XRNKOTICBIUUTI-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036132950 663691787 /nfs/dbraw/zinc/69/17/87/663691787.db2.gz OZLZOBZNZKWLGM-RKDXNWHRSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001036371538 663692676 /nfs/dbraw/zinc/69/26/76/663692676.db2.gz SGIUQKPQXJYAPF-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001005804571 663692845 /nfs/dbraw/zinc/69/28/45/663692845.db2.gz LVRGIKUWQPOYHP-JQWIXIFHSA-N 1 1 321.385 -1.270 20 0 DAADMO CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036610858 663692872 /nfs/dbraw/zinc/69/28/72/663692872.db2.gz VLXZDIPFWTXERB-STQMWFEESA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]Cc1nnnn1C ZINC001036527601 663692901 /nfs/dbraw/zinc/69/29/01/663692901.db2.gz GUDMAPYQJGQQKA-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001005808874 663693223 /nfs/dbraw/zinc/69/32/23/663693223.db2.gz CRFXJWCRNCKUMY-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000922910876 663693346 /nfs/dbraw/zinc/69/33/46/663693346.db2.gz TVRZKKHGLWXZCX-QWRGUYRKSA-N 1 1 317.415 -1.376 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001005824639 663693582 /nfs/dbraw/zinc/69/35/82/663693582.db2.gz CFYQZIUAJOTEOP-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001005816557 663693771 /nfs/dbraw/zinc/69/37/71/663693771.db2.gz DEQRTCLXJFYVNY-KOLCDFICSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005824631 663693784 /nfs/dbraw/zinc/69/37/84/663693784.db2.gz BVEMFQNDZGSVON-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036673017 663694021 /nfs/dbraw/zinc/69/40/21/663694021.db2.gz JTBLZVMEULGOKR-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855816 663694093 /nfs/dbraw/zinc/69/40/93/663694093.db2.gz RMDYUEVUABCOOW-MWLCHTKSSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855816 663694094 /nfs/dbraw/zinc/69/40/94/663694094.db2.gz RMDYUEVUABCOOW-MWLCHTKSSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849115 663694221 /nfs/dbraw/zinc/69/42/21/663694221.db2.gz CPTNZVFJPFVHBJ-JOYOIKCWSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849115 663694222 /nfs/dbraw/zinc/69/42/22/663694222.db2.gz CPTNZVFJPFVHBJ-JOYOIKCWSA-N 1 1 322.369 -1.288 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036672484 663694268 /nfs/dbraw/zinc/69/42/68/663694268.db2.gz BGNJMRZDNYPETH-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036672483 663694342 /nfs/dbraw/zinc/69/43/42/663694342.db2.gz BGNJMRZDNYPETH-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3)CC[C@H]21 ZINC001036691705 663694792 /nfs/dbraw/zinc/69/47/92/663694792.db2.gz UGZOKOPMOTWQDU-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO CN(C(=O)C(N)=O)C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001005914156 663694953 /nfs/dbraw/zinc/69/49/53/663694953.db2.gz MPWRBUDHWMXHTR-SNVBAGLBSA-N 1 1 317.411 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000948730056 663695468 /nfs/dbraw/zinc/69/54/68/663695468.db2.gz SCQGEFXBAATBRY-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000948730055 663695516 /nfs/dbraw/zinc/69/55/16/663695516.db2.gz SCQGEFXBAATBRY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]21 ZINC001036691706 663695562 /nfs/dbraw/zinc/69/55/62/663695562.db2.gz UGZOKOPMOTWQDU-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC001006072390 663696585 /nfs/dbraw/zinc/69/65/85/663696585.db2.gz VTXUPSRHNKXPPV-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO O=S(=O)(C1CN(CC2(O)CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923437811 663696885 /nfs/dbraw/zinc/69/68/85/663696885.db2.gz ZLQGDFXAHJQNPR-UHFFFAOYSA-N 1 1 319.427 -1.553 20 0 DAADMO CCOCCOCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437738 663696920 /nfs/dbraw/zinc/69/69/20/663696920.db2.gz XMJBCFFUUNJUSM-UHFFFAOYSA-N 1 1 321.443 -1.041 20 0 DAADMO Cn1nnc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000923437801 663697005 /nfs/dbraw/zinc/69/70/05/663697005.db2.gz ZEODKVYEWXQPJE-UHFFFAOYSA-N 1 1 301.376 -2.371 20 0 DAADMO Cn1cnnc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436470 663697010 /nfs/dbraw/zinc/69/70/10/663697010.db2.gz GWCJHGQSWQBKKI-UHFFFAOYSA-N 1 1 300.388 -1.766 20 0 DAADMO COCCOCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433666 663697111 /nfs/dbraw/zinc/69/71/11/663697111.db2.gz CFMZWOGFXLZEMF-UHFFFAOYSA-N 1 1 307.416 -1.431 20 0 DAADMO O=C(CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)N1CCCC1 ZINC000923433946 663697326 /nfs/dbraw/zinc/69/73/26/663697326.db2.gz MRRMSOOVSUHUNE-UHFFFAOYSA-N 1 1 316.427 -1.472 20 0 DAADMO CN(C)C(=O)CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437392 663697435 /nfs/dbraw/zinc/69/74/35/663697435.db2.gz SCEAEFZMQFBCMR-UHFFFAOYSA-N 1 1 304.416 -1.616 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437444 663697737 /nfs/dbraw/zinc/69/77/37/663697737.db2.gz TXKZCMLHKSCKFN-SECBINFHSA-N 1 1 315.403 -1.810 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000923470333 663697750 /nfs/dbraw/zinc/69/77/50/663697750.db2.gz LTZJSGGEAWUUTB-JTQLQIEISA-N 1 1 305.404 -1.520 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC001006112374 663697789 /nfs/dbraw/zinc/69/77/89/663697789.db2.gz KLIQZCYDZXIOBO-GHMZBOCLSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC001006130922 663697956 /nfs/dbraw/zinc/69/79/56/663697956.db2.gz XOXNCCJRGRLVFQ-MNOVXSKESA-N 1 1 321.385 -1.412 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190455 663699162 /nfs/dbraw/zinc/69/91/62/663699162.db2.gz YJXJWBRHDKEEDX-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190455 663699164 /nfs/dbraw/zinc/69/91/64/663699164.db2.gz YJXJWBRHDKEEDX-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCOCC1 ZINC000838781363 663793852 /nfs/dbraw/zinc/79/38/52/663793852.db2.gz UROIYFYMEJPGEM-CYBMUJFWSA-N 1 1 311.382 -1.240 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000741727782 663794914 /nfs/dbraw/zinc/79/49/14/663794914.db2.gz WZANVNMJQSVCQI-UHFFFAOYSA-N 1 1 312.370 -1.218 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[N@H+](C)C1CC1 ZINC000788389621 663798914 /nfs/dbraw/zinc/79/89/14/663798914.db2.gz GEAHRPLCYVEWJT-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC000788389621 663798920 /nfs/dbraw/zinc/79/89/20/663798920.db2.gz GEAHRPLCYVEWJT-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000746277231 663799368 /nfs/dbraw/zinc/79/93/68/663799368.db2.gz HOKSQUCZSAUAKS-NSHDSACASA-N 1 1 313.354 -1.449 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000746277231 663799376 /nfs/dbraw/zinc/79/93/76/663799376.db2.gz HOKSQUCZSAUAKS-NSHDSACASA-N 1 1 313.354 -1.449 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc2n(n1)CCCN2 ZINC000748043669 663799779 /nfs/dbraw/zinc/79/97/79/663799779.db2.gz XDQAHDYWXILVME-MNOVXSKESA-N 1 1 306.370 -1.056 20 0 DAADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=S)NCC(N)=O)CC1 ZINC000747653048 663800004 /nfs/dbraw/zinc/80/00/04/663800004.db2.gz PHMOEIGKVALSAK-VIFPVBQESA-N 1 1 302.400 -1.085 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747231332 663800020 /nfs/dbraw/zinc/80/00/20/663800020.db2.gz IFRFKTMZWILQTE-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1nc2n(n1)CCCN2 ZINC000748043671 663800161 /nfs/dbraw/zinc/80/01/61/663800161.db2.gz XDQAHDYWXILVME-WDEREUQCSA-N 1 1 306.370 -1.056 20 0 DAADMO COCCO[N-]C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000748772873 663800910 /nfs/dbraw/zinc/80/09/10/663800910.db2.gz SHHZYPSGUBOZLP-GFCCVEGCSA-N 1 1 315.370 -1.139 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000750838962 663801928 /nfs/dbraw/zinc/80/19/28/663801928.db2.gz UZSYEVKWUUYDFX-SDDRHHMPSA-N 1 1 315.370 -1.287 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000750838962 663801931 /nfs/dbraw/zinc/80/19/31/663801931.db2.gz UZSYEVKWUUYDFX-SDDRHHMPSA-N 1 1 315.370 -1.287 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750851482 663802070 /nfs/dbraw/zinc/80/20/70/663802070.db2.gz AEHJRSGAMGDAFJ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761076853 663809822 /nfs/dbraw/zinc/80/98/22/663809822.db2.gz OYUNEWXXMOXXLO-UWVGGRQHSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761076853 663809823 /nfs/dbraw/zinc/80/98/23/663809823.db2.gz OYUNEWXXMOXXLO-UWVGGRQHSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000761076858 663810171 /nfs/dbraw/zinc/81/01/71/663810171.db2.gz OYUNEWXXMOXXLO-ZJUUUORDSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761076858 663810173 /nfs/dbraw/zinc/81/01/73/663810173.db2.gz OYUNEWXXMOXXLO-ZJUUUORDSA-N 1 1 323.397 -1.127 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000763056643 663811366 /nfs/dbraw/zinc/81/13/66/663811366.db2.gz YVPWTZGLYHFRMB-NSHDSACASA-N 1 1 308.404 -1.709 20 0 DAADMO CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(=O)NC ZINC000764201951 663812105 /nfs/dbraw/zinc/81/21/05/663812105.db2.gz QPAGUSNQPHLCHY-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(=O)NC ZINC000764201951 663812107 /nfs/dbraw/zinc/81/21/07/663812107.db2.gz QPAGUSNQPHLCHY-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764201117 663812120 /nfs/dbraw/zinc/81/21/20/663812120.db2.gz IPEQOZZIWAPECY-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO NC(=O)NC(=O)OCCC[N@@H+](CCO)CCN1CCOCC1 ZINC000772205719 663818362 /nfs/dbraw/zinc/81/83/62/663818362.db2.gz YEOLLXHDQVMFLZ-UHFFFAOYSA-N 1 1 318.374 -1.192 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000774470780 663820837 /nfs/dbraw/zinc/82/08/37/663820837.db2.gz OBVXSUHUQXBQRY-NRFANRHFSA-N 1 1 319.427 -1.290 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000780523219 663824575 /nfs/dbraw/zinc/82/45/75/663824575.db2.gz OXCCKHIXRJCBEM-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@@H]4C[C@]4(CO)C3)c2c(=O)n(C)c1=O ZINC000782614736 663826419 /nfs/dbraw/zinc/82/64/19/663826419.db2.gz DLRDRMNJGNQQGP-ZUZCIYMTSA-N 1 1 319.365 -1.252 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+]2CCCOCC2)c(=O)n(C)c1=O ZINC000783842406 663827928 /nfs/dbraw/zinc/82/79/28/663827928.db2.gz PKVXMTFOQOYVFU-UHFFFAOYSA-N 1 1 310.354 -1.464 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790272847 663832969 /nfs/dbraw/zinc/83/29/69/663832969.db2.gz GUSJZKUAGRDWBH-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795086698 663836641 /nfs/dbraw/zinc/83/66/41/663836641.db2.gz QZGXKZILIWVVOC-NXEZZACHSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795086698 663836643 /nfs/dbraw/zinc/83/66/43/663836643.db2.gz QZGXKZILIWVVOC-NXEZZACHSA-N 1 1 301.372 -1.043 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 ZINC001036738712 663841183 /nfs/dbraw/zinc/84/11/83/663841183.db2.gz MJCBEMVUZSDVHJ-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@@H]21 ZINC001036738711 663841365 /nfs/dbraw/zinc/84/13/65/663841365.db2.gz MJCBEMVUZSDVHJ-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)n1 ZINC001036719449 663841684 /nfs/dbraw/zinc/84/16/84/663841684.db2.gz FBKLNDICUYPHKX-QWRGUYRKSA-N 1 1 322.369 -1.708 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)c1=O ZINC001036753430 663841935 /nfs/dbraw/zinc/84/19/35/663841935.db2.gz QFYCSVRHVVJKPZ-VXGBXAGGSA-N 1 1 309.370 -1.503 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806941 663841996 /nfs/dbraw/zinc/84/19/96/663841996.db2.gz VZPVRFQWGWTXKM-MWLCHTKSSA-N 1 1 319.369 -1.084 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806941 663841998 /nfs/dbraw/zinc/84/19/98/663841998.db2.gz VZPVRFQWGWTXKM-MWLCHTKSSA-N 1 1 319.369 -1.084 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792191 663842007 /nfs/dbraw/zinc/84/20/07/663842007.db2.gz LOGVFBHMGTYWMX-NEPJUHHUSA-N 1 1 323.397 -2.174 20 0 DAADMO COCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036791939 663842012 /nfs/dbraw/zinc/84/20/12/663842012.db2.gz HQKKGRGRRGSRIB-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)ncc1=O ZINC001036776677 663842043 /nfs/dbraw/zinc/84/20/43/663842043.db2.gz OKMQBOZHCACCHQ-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)c1=O ZINC001036778472 663842086 /nfs/dbraw/zinc/84/20/86/663842086.db2.gz SYHZGUHWQZLSSA-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001036794543 663842166 /nfs/dbraw/zinc/84/21/66/663842166.db2.gz XBQPVSDTOYCPTJ-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)ncc1=O ZINC001036776675 663842200 /nfs/dbraw/zinc/84/22/00/663842200.db2.gz OKMQBOZHCACCHQ-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792193 663842255 /nfs/dbraw/zinc/84/22/55/663842255.db2.gz LOGVFBHMGTYWMX-RYUDHWBXSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 ZINC001036758883 663842281 /nfs/dbraw/zinc/84/22/81/663842281.db2.gz BTMZLJUGQKXWCI-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001036793321 663842303 /nfs/dbraw/zinc/84/23/03/663842303.db2.gz CIXVBDHXXROVMW-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806940 663842322 /nfs/dbraw/zinc/84/23/22/663842322.db2.gz VZPVRFQWGWTXKM-KOLCDFICSA-N 1 1 319.369 -1.084 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806940 663842324 /nfs/dbraw/zinc/84/23/24/663842324.db2.gz VZPVRFQWGWTXKM-KOLCDFICSA-N 1 1 319.369 -1.084 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)c1=O ZINC001036753292 663842346 /nfs/dbraw/zinc/84/23/46/663842346.db2.gz OBWKQVMPSLKCFG-MNOVXSKESA-N 1 1 322.369 -2.010 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@H]21 ZINC001036852586 663842617 /nfs/dbraw/zinc/84/26/17/663842617.db2.gz GHXISJQGNYAVHZ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]21 ZINC001036852584 663842924 /nfs/dbraw/zinc/84/29/24/663842924.db2.gz GHXISJQGNYAVHZ-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 ZINC001036843769 663842973 /nfs/dbraw/zinc/84/29/73/663842973.db2.gz LJZQNIDJXGYXIT-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)ccc1=O ZINC001036886724 663843623 /nfs/dbraw/zinc/84/36/23/663843623.db2.gz GPYZQIXRVPZJKT-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)nn1 ZINC001036903087 663843984 /nfs/dbraw/zinc/84/39/84/663843984.db2.gz VIOOGRVNMGAVEI-CMPLNLGQSA-N 1 1 322.369 -1.708 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 ZINC001036888124 663844060 /nfs/dbraw/zinc/84/40/60/663844060.db2.gz DLJDRYPOVMPIEH-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]1CO ZINC000804052863 663844192 /nfs/dbraw/zinc/84/41/92/663844192.db2.gz GUOUKDPBNLHKOQ-XQQFMLRXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]1CO ZINC000804053001 663844279 /nfs/dbraw/zinc/84/42/79/663844279.db2.gz GUOUKDPBNLHKOQ-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000804353091 663844719 /nfs/dbraw/zinc/84/47/19/663844719.db2.gz ULCIJWILHLOISW-MQJDWESPSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000804353091 663844721 /nfs/dbraw/zinc/84/47/21/663844721.db2.gz ULCIJWILHLOISW-MQJDWESPSA-N 1 1 319.427 -1.292 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N(CCO)C1CC1 ZINC000804059622 663844857 /nfs/dbraw/zinc/84/48/57/663844857.db2.gz MOCYLAHXIUEHMW-QWHCGFSZSA-N 1 1 311.382 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC1COC(C)(C)OC1 ZINC000804084446 663844867 /nfs/dbraw/zinc/84/48/67/663844867.db2.gz WRJWSVMXENYXNA-UHFFFAOYSA-N 1 1 317.386 -1.052 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCc1ccnn1C ZINC000804084270 663844894 /nfs/dbraw/zinc/84/48/94/663844894.db2.gz RDUWVGBASSGIEM-UHFFFAOYSA-N 1 1 311.386 -1.227 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N(CCO)C1CC1 ZINC000804059620 663844908 /nfs/dbraw/zinc/84/49/08/663844908.db2.gz MOCYLAHXIUEHMW-CHWSQXEVSA-N 1 1 311.382 -1.051 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC000807776597 663846301 /nfs/dbraw/zinc/84/63/01/663846301.db2.gz FEBDJKPWOGPLCT-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000808019904 663846788 /nfs/dbraw/zinc/84/67/88/663846788.db2.gz LLEJGKCLYIOBAG-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000808019904 663846790 /nfs/dbraw/zinc/84/67/90/663846790.db2.gz LLEJGKCLYIOBAG-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1C[N@H+](C)CCO1 ZINC000808019905 663846951 /nfs/dbraw/zinc/84/69/51/663846951.db2.gz LLEJGKCLYIOBAG-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000808019905 663846953 /nfs/dbraw/zinc/84/69/53/663846953.db2.gz LLEJGKCLYIOBAG-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1=O ZINC000815152667 663851208 /nfs/dbraw/zinc/85/12/08/663851208.db2.gz YAXAUQMPGHZWLT-NEPJUHHUSA-N 1 1 309.370 -1.049 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1=O ZINC000815152668 663851509 /nfs/dbraw/zinc/85/15/09/663851509.db2.gz YAXAUQMPGHZWLT-NWDGAFQWSA-N 1 1 309.370 -1.049 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)nn1 ZINC000815579341 663851875 /nfs/dbraw/zinc/85/18/75/663851875.db2.gz KYIOESTWESQAFF-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)nn1 ZINC000815579341 663851878 /nfs/dbraw/zinc/85/18/78/663851878.db2.gz KYIOESTWESQAFF-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000819824193 663856751 /nfs/dbraw/zinc/85/67/51/663856751.db2.gz JCZIMJZWZLDKBX-RYUDHWBXSA-N 1 1 324.381 -1.375 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000819824110 663856834 /nfs/dbraw/zinc/85/68/34/663856834.db2.gz JCZIMJZWZLDKBX-NEPJUHHUSA-N 1 1 324.381 -1.375 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000820263648 663857142 /nfs/dbraw/zinc/85/71/42/663857142.db2.gz GRHZYUHDALUZJY-DCAQKATOSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000820263647 663857605 /nfs/dbraw/zinc/85/76/05/663857605.db2.gz GRHZYUHDALUZJY-AXFHLTTASA-N 1 1 307.358 -1.660 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cnn(C)n2)CC1=O ZINC000820854033 663859506 /nfs/dbraw/zinc/85/95/06/663859506.db2.gz ZACFELZSEWEUHK-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822151362 663861063 /nfs/dbraw/zinc/86/10/63/663861063.db2.gz LYZRQIFJGLHSAE-MNOVXSKESA-N 1 1 317.411 -1.159 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822151362 663861065 /nfs/dbraw/zinc/86/10/65/663861065.db2.gz LYZRQIFJGLHSAE-MNOVXSKESA-N 1 1 317.411 -1.159 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+](C)C1 ZINC000822629910 663861553 /nfs/dbraw/zinc/86/15/53/663861553.db2.gz BLBNZZQRQXHHPB-NXEZZACHSA-N 1 1 311.338 -1.398 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000823276714 663862421 /nfs/dbraw/zinc/86/24/21/663862421.db2.gz WBWGXGPFAYVIEW-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000823276715 663862686 /nfs/dbraw/zinc/86/26/86/663862686.db2.gz WBWGXGPFAYVIEW-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO COC1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CS(=O)(=O)C1 ZINC000824297298 663862947 /nfs/dbraw/zinc/86/29/47/663862947.db2.gz BPYNKRQPKSDWFJ-VHSXEESVSA-N 1 1 304.368 -1.923 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000824740063 663863069 /nfs/dbraw/zinc/86/30/69/663863069.db2.gz BNQFUJDPHUFJLV-MNOVXSKESA-N 1 1 320.415 -1.638 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000824771876 663863167 /nfs/dbraw/zinc/86/31/67/663863167.db2.gz GKNYKENGTLYROD-UWVGGRQHSA-N 1 1 317.411 -1.111 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCO[C@H](Cn2ccnn2)C1 ZINC000824664965 663863219 /nfs/dbraw/zinc/86/32/19/663863219.db2.gz DWAXMYXTNFJHOQ-KBPBESRZSA-N 1 1 320.397 -1.105 20 0 DAADMO COC1(OC)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H]1O ZINC000824068629 663863355 /nfs/dbraw/zinc/86/33/55/663863355.db2.gz BNGWDEQULRSQBZ-CHWSQXEVSA-N 1 1 313.398 -1.041 20 0 DAADMO CCN(OC)C(=O)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000825979141 663864816 /nfs/dbraw/zinc/86/48/16/663864816.db2.gz INNFZKHAKMXQIY-NSHDSACASA-N 1 1 301.391 -1.059 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826140188 663866226 /nfs/dbraw/zinc/86/62/26/663866226.db2.gz AJZPNFWMWCHLDW-FZMZJTMJSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826140188 663866227 /nfs/dbraw/zinc/86/62/27/663866227.db2.gz AJZPNFWMWCHLDW-FZMZJTMJSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000826708375 663866898 /nfs/dbraw/zinc/86/68/98/663866898.db2.gz VDDHAPZGMIAHKX-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000826708375 663866901 /nfs/dbraw/zinc/86/69/01/663866901.db2.gz VDDHAPZGMIAHKX-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(C)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)CS(N)(=O)=O ZINC000826878991 663867215 /nfs/dbraw/zinc/86/72/15/663867215.db2.gz RDWWSDIZUFKTIF-LLVKDONJSA-N 1 1 318.443 -1.193 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414304 663868005 /nfs/dbraw/zinc/86/80/05/663868005.db2.gz SQAFTUSCUGBNJO-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414304 663868007 /nfs/dbraw/zinc/86/80/07/663868007.db2.gz SQAFTUSCUGBNJO-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCN(C2CC2)C1=O ZINC000827578010 663868428 /nfs/dbraw/zinc/86/84/28/663868428.db2.gz QKVSPUKFCVPHDL-WFASDCNBSA-N 1 1 311.382 -1.146 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)c1=O ZINC000827983856 663868772 /nfs/dbraw/zinc/86/87/72/663868772.db2.gz WGNMKEWINWAXQR-NSHDSACASA-N 1 1 323.349 -1.230 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1=O ZINC000827983856 663868775 /nfs/dbraw/zinc/86/87/75/663868775.db2.gz WGNMKEWINWAXQR-NSHDSACASA-N 1 1 323.349 -1.230 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CSCC(=O)N1 ZINC000828196078 663869285 /nfs/dbraw/zinc/86/92/85/663869285.db2.gz NETWVHFZRDOAPG-JTQLQIEISA-N 1 1 314.411 -1.550 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828510442 663869744 /nfs/dbraw/zinc/86/97/44/663869744.db2.gz IMSVELFLVZXCSI-WOPDTQHZSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000828958242 663870318 /nfs/dbraw/zinc/87/03/18/663870318.db2.gz BIVATKNKZXTXPP-GRYCIOLGSA-N 1 1 321.385 -1.127 20 0 DAADMO COCCONC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841892091 663876264 /nfs/dbraw/zinc/87/62/64/663876264.db2.gz YPFZQEVKFZBNOW-UHFFFAOYSA-N 1 1 322.387 -1.807 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164743 663876675 /nfs/dbraw/zinc/87/66/75/663876675.db2.gz NZJATXPEHKTLQH-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164743 663876676 /nfs/dbraw/zinc/87/66/76/663876676.db2.gz NZJATXPEHKTLQH-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(c1ncccn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842513978 663877311 /nfs/dbraw/zinc/87/73/11/663877311.db2.gz UPHLOMYEQWRWHW-UHFFFAOYSA-N 1 1 311.367 -1.464 20 0 DAADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@H]1CSC[NH2+]1 ZINC000843414541 663878178 /nfs/dbraw/zinc/87/81/78/663878178.db2.gz IBDYZAXHNOSHDC-SECBINFHSA-N 1 1 309.413 -1.573 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000843490389 663878971 /nfs/dbraw/zinc/87/89/71/663878971.db2.gz UCIHPAZOPVKLKY-SECBINFHSA-N 1 1 301.368 -1.117 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000843480994 663879047 /nfs/dbraw/zinc/87/90/47/663879047.db2.gz ZRJIGGSYHUAZAO-JTQLQIEISA-N 1 1 322.383 -1.589 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000846398858 663886405 /nfs/dbraw/zinc/88/64/05/663886405.db2.gz JWIHGWONYTVSJM-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000846398857 663886853 /nfs/dbraw/zinc/88/68/53/663886853.db2.gz JWIHGWONYTVSJM-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846515634 663887601 /nfs/dbraw/zinc/88/76/01/663887601.db2.gz NZCULDROZPGYJN-LLVKDONJSA-N 1 1 310.354 -1.766 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846515634 663887604 /nfs/dbraw/zinc/88/76/04/663887604.db2.gz NZCULDROZPGYJN-LLVKDONJSA-N 1 1 310.354 -1.766 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000846739349 663888676 /nfs/dbraw/zinc/88/86/76/663888676.db2.gz YEVGZABXZGGPGK-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(=O)n1C ZINC000847406523 663889202 /nfs/dbraw/zinc/88/92/02/663889202.db2.gz CUSXIMMUHBOWAU-RYUDHWBXSA-N 1 1 309.370 -1.130 20 0 DAADMO O=C(CCN1C(=O)CCNC1=S)N1CC[NH+](CCO)CC1 ZINC000847329885 663889319 /nfs/dbraw/zinc/88/93/19/663889319.db2.gz QSIWEGAAGLBASE-UHFFFAOYSA-N 1 1 314.411 -1.380 20 0 DAADMO NC(=O)[C@@](O)(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000851881402 663896894 /nfs/dbraw/zinc/89/68/94/663896894.db2.gz LDVZRVKVPYPLTC-XHDPSFHLSA-N 1 1 318.333 -1.405 20 0 DAADMO NC(=O)[C@@](O)(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000851881402 663896896 /nfs/dbraw/zinc/89/68/96/663896896.db2.gz LDVZRVKVPYPLTC-XHDPSFHLSA-N 1 1 318.333 -1.405 20 0 DAADMO CNC(=O)[C@H]1C[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921258 663897155 /nfs/dbraw/zinc/89/71/55/663897155.db2.gz ZOYRQTYURVVZPQ-DOMZBBRYSA-N 1 1 307.350 -1.194 20 0 DAADMO CNC(=O)[C@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921258 663897157 /nfs/dbraw/zinc/89/71/57/663897157.db2.gz ZOYRQTYURVVZPQ-DOMZBBRYSA-N 1 1 307.350 -1.194 20 0 DAADMO NC(=O)[C@](O)(C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000852153221 663897788 /nfs/dbraw/zinc/89/77/88/663897788.db2.gz CSAAENGIQOCRTP-XEZPLFJOSA-N 1 1 319.361 -1.051 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C(N)=O)nn2)C1 ZINC000853678098 663900182 /nfs/dbraw/zinc/90/01/82/663900182.db2.gz BOLQBSGDFJOPKL-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C(N)=O)nn2)C1 ZINC000853678096 663900268 /nfs/dbraw/zinc/90/02/68/663900268.db2.gz BOLQBSGDFJOPKL-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO CON(C)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000853342122 663900388 /nfs/dbraw/zinc/90/03/88/663900388.db2.gz DDJADCMXQCVAPJ-UHFFFAOYSA-N 1 1 301.391 -1.057 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@]1(OCCO)CCOC1 ZINC000855405106 663906077 /nfs/dbraw/zinc/90/60/77/663906077.db2.gz DWFJNTVBJSMQTA-CQSZACIVSA-N 1 1 302.371 -1.007 20 0 DAADMO CCn1ncc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000859428402 663912674 /nfs/dbraw/zinc/91/26/74/663912674.db2.gz GMXSZDMPJKXACY-NWDGAFQWSA-N 1 1 322.369 -1.808 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC000860826627 663917216 /nfs/dbraw/zinc/91/72/16/663917216.db2.gz KPQCQSXCGIYBAN-HFLGISGGSA-N 1 1 310.350 -1.110 20 0 DAADMO O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000862144102 663920331 /nfs/dbraw/zinc/92/03/31/663920331.db2.gz SBJFXIGWDSTHNO-AXNITEOOSA-N 1 1 322.361 -1.016 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000862632857 663920703 /nfs/dbraw/zinc/92/07/03/663920703.db2.gz FQIIDGGNMQYYIV-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000862632856 663921082 /nfs/dbraw/zinc/92/10/82/663921082.db2.gz FQIIDGGNMQYYIV-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO O[C@H]1CC[N@@H+](CCNC(=S)NCCN2CCOCC2)C1 ZINC000863253092 663923522 /nfs/dbraw/zinc/92/35/22/663923522.db2.gz IYQDSCFQTQZOBJ-LBPRGKRZSA-N 1 1 302.444 -1.151 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000864082527 663928249 /nfs/dbraw/zinc/92/82/49/663928249.db2.gz WALJAMHCOHAQAC-HONMWMINSA-N 1 1 313.354 -1.221 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000864076729 663928308 /nfs/dbraw/zinc/92/83/08/663928308.db2.gz DDJUANGSYBQSNN-JQWIXIFHSA-N 1 1 320.415 -1.952 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000864076730 663928334 /nfs/dbraw/zinc/92/83/34/663928334.db2.gz DDJUANGSYBQSNN-PWSUYJOCSA-N 1 1 320.415 -1.952 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000864082528 663928413 /nfs/dbraw/zinc/92/84/13/663928413.db2.gz WALJAMHCOHAQAC-LERXQTSPSA-N 1 1 313.354 -1.221 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866675870 663931723 /nfs/dbraw/zinc/93/17/23/663931723.db2.gz RVDXRGRMFQLSSU-ZJUUUORDSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866675870 663931728 /nfs/dbraw/zinc/93/17/28/663931728.db2.gz RVDXRGRMFQLSSU-ZJUUUORDSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866675869 663931769 /nfs/dbraw/zinc/93/17/69/663931769.db2.gz RVDXRGRMFQLSSU-VHSXEESVSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866675869 663931770 /nfs/dbraw/zinc/93/17/70/663931770.db2.gz RVDXRGRMFQLSSU-VHSXEESVSA-N 1 1 301.372 -1.043 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CCC1(C)C ZINC000867742051 663932815 /nfs/dbraw/zinc/93/28/15/663932815.db2.gz XZXBAEZMBOUURU-VXGBXAGGSA-N 1 1 313.398 -1.259 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N2)CC1=O ZINC000868386613 663934333 /nfs/dbraw/zinc/93/43/33/663934333.db2.gz GKBSUVXTIZPRBE-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N2)CC1=O ZINC000868386510 663934344 /nfs/dbraw/zinc/93/43/44/663934344.db2.gz GKBSUVXTIZPRBE-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1=O ZINC000869775328 663935764 /nfs/dbraw/zinc/93/57/64/663935764.db2.gz MMBCPWMHLYSUHW-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000923607635 663935831 /nfs/dbraw/zinc/93/58/31/663935831.db2.gz FEAQZKWXVUTMDL-GFCCVEGCSA-N 1 1 315.399 -1.266 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN(c2cccnn2)CC1 ZINC000923605750 663936217 /nfs/dbraw/zinc/93/62/17/663936217.db2.gz LWDBMKXMRFMUOU-UHFFFAOYSA-N 1 1 312.399 -1.251 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2nc3n(n2)CCCN3)C1 ZINC000869778108 663936432 /nfs/dbraw/zinc/93/64/32/663936432.db2.gz XFOKJMMDRFOQOE-JTQLQIEISA-N 1 1 308.386 -1.074 20 0 DAADMO C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000923619686 663936552 /nfs/dbraw/zinc/93/65/52/663936552.db2.gz KNWREVSLGWBTOM-ZDUSSCGKSA-N 1 1 319.475 -1.391 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC000869781885 663937091 /nfs/dbraw/zinc/93/70/91/663937091.db2.gz CASXBMVTXXGVCO-NSHDSACASA-N 1 1 319.427 -1.017 20 0 DAADMO O=S(=O)(N1CCC[C@@H]1CN1CCOCC1)N1CC[NH2+]CC1 ZINC000923621844 663937416 /nfs/dbraw/zinc/93/74/16/663937416.db2.gz QONXLIQZDKFQOE-CYBMUJFWSA-N 1 1 318.443 -1.067 20 0 DAADMO [NH3+]CC(F)(F)CC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870978035 663937680 /nfs/dbraw/zinc/93/76/80/663937680.db2.gz PFSRREZOKIRDAC-LLVKDONJSA-N 1 1 307.297 -1.286 20 0 DAADMO C[N@H+](C[C@@H](O)CNC[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232930 663939613 /nfs/dbraw/zinc/93/96/13/663939613.db2.gz JUDYVAAPSHPDQH-DZGCQCFKSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@@H+](C[C@@H](O)CNC[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232930 663939615 /nfs/dbraw/zinc/93/96/15/663939615.db2.gz JUDYVAAPSHPDQH-DZGCQCFKSA-N 1 1 313.398 -1.341 20 0 DAADMO Cn1nncc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616824 663939927 /nfs/dbraw/zinc/93/99/27/663939927.db2.gz IKRMPCNTLOVURG-VHSXEESVSA-N 1 1 301.372 -1.355 20 0 DAADMO COCCN(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616172 663940132 /nfs/dbraw/zinc/94/01/32/663940132.db2.gz ADOYZDUAQXWGFY-NWDGAFQWSA-N 1 1 307.416 -1.050 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000875355987 663943950 /nfs/dbraw/zinc/94/39/50/663943950.db2.gz UMVWFXLGXDSVEN-UHFFFAOYSA-N 1 1 311.342 -1.085 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000875275130 663943982 /nfs/dbraw/zinc/94/39/82/663943982.db2.gz ODFZKMNAFFTHJT-UHFFFAOYSA-N 1 1 303.384 -1.036 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875545695 663944403 /nfs/dbraw/zinc/94/44/03/663944403.db2.gz FISCPFJKMMOOHN-IHRRRGAJSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CNCCO1 ZINC000876512416 663945601 /nfs/dbraw/zinc/94/56/01/663945601.db2.gz NMROANGUUZLIIW-ZDUSSCGKSA-N 1 1 300.359 -2.461 20 0 DAADMO COC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CNCCO1 ZINC000876526194 663946114 /nfs/dbraw/zinc/94/61/14/663946114.db2.gz QOWRRFOILLQUFA-AWEZNQCLSA-N 1 1 300.403 -1.645 20 0 DAADMO C[NH+]1CCN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC000876195006 663946130 /nfs/dbraw/zinc/94/61/30/663946130.db2.gz DRQRTTFNBXNLQR-AWEZNQCLSA-N 1 1 312.370 -1.429 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000876754059 663947460 /nfs/dbraw/zinc/94/74/60/663947460.db2.gz AXMHGFYQPWSJLL-JSGCOSHPSA-N 1 1 301.387 -1.172 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000876754059 663947465 /nfs/dbraw/zinc/94/74/65/663947465.db2.gz AXMHGFYQPWSJLL-JSGCOSHPSA-N 1 1 301.387 -1.172 20 0 DAADMO COCCN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)CN ZINC000877132365 663949587 /nfs/dbraw/zinc/94/95/87/663949587.db2.gz BJACHPMUANJDBA-UHFFFAOYSA-N 1 1 300.403 -1.122 20 0 DAADMO CCO[C@@H]1CN(C(=O)[C@@]2(COC)CNCCO2)C[C@H]1C[NH3+] ZINC000876949855 663949658 /nfs/dbraw/zinc/94/96/58/663949658.db2.gz YDDOPDSPIQXTPM-BZPMIXESSA-N 1 1 301.387 -1.186 20 0 DAADMO O=C(NC[C@]12COCCN1C(=O)COC2)[C@H]1CSC[NH2+]1 ZINC000877248978 663949982 /nfs/dbraw/zinc/94/99/82/663949982.db2.gz SASCGACAYICVIC-BXKDBHETSA-N 1 1 301.368 -1.607 20 0 DAADMO O=C(NC[C@@]12COCCN1C(=O)COC2)[C@H]1CSC[NH2+]1 ZINC000877248981 663950298 /nfs/dbraw/zinc/95/02/98/663950298.db2.gz SASCGACAYICVIC-SKDRFNHKSA-N 1 1 301.368 -1.607 20 0 DAADMO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1cnn2c1OCCC2 ZINC000923664648 663951069 /nfs/dbraw/zinc/95/10/69/663951069.db2.gz ZNKJSEVSZPKUBK-VIFPVBQESA-N 1 1 302.356 -1.068 20 0 DAADMO Cn1nnnc1CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000878198648 663951854 /nfs/dbraw/zinc/95/18/54/663951854.db2.gz OSLSKDOTXGEBKL-GFCCVEGCSA-N 1 1 307.402 -1.009 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000879185315 663952891 /nfs/dbraw/zinc/95/28/91/663952891.db2.gz KORPWXPBBXDYDI-JTQLQIEISA-N 1 1 307.358 -1.411 20 0 DAADMO C[C@@H]1[C@H](C)[N@@H+](CCn2cnnn2)CCN1CCn1cnnn1 ZINC000878997499 663953216 /nfs/dbraw/zinc/95/32/16/663953216.db2.gz GRVVYKNQPHWAHJ-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1[C@H](C)N(CCn2cnnn2)CC[N@H+]1CCn1cnnn1 ZINC000878997499 663953219 /nfs/dbraw/zinc/95/32/19/663953219.db2.gz GRVVYKNQPHWAHJ-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1[C@H](C)N(CCn2cnnn2)CC[N@@H+]1CCn1cnnn1 ZINC000878997499 663953222 /nfs/dbraw/zinc/95/32/22/663953222.db2.gz GRVVYKNQPHWAHJ-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717795 663953863 /nfs/dbraw/zinc/95/38/63/663953863.db2.gz HVLMSUWCBVXXPV-ZYHUDNBSSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717795 663953867 /nfs/dbraw/zinc/95/38/67/663953867.db2.gz HVLMSUWCBVXXPV-ZYHUDNBSSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532708 663954048 /nfs/dbraw/zinc/95/40/48/663954048.db2.gz WMSWEUYSVFMALO-UJNFCWOMSA-N 1 1 308.338 -1.090 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532707 663954343 /nfs/dbraw/zinc/95/43/43/663954343.db2.gz WMSWEUYSVFMALO-QNSHHTMESA-N 1 1 308.338 -1.090 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879608585 663954396 /nfs/dbraw/zinc/95/43/96/663954396.db2.gz LVNDOMNBMBUZRX-UTUOFQBUSA-N 1 1 300.355 -1.032 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1)C(C)C ZINC000879695769 663954437 /nfs/dbraw/zinc/95/44/37/663954437.db2.gz PVCKRGSGBXODIR-LOWVWBTDSA-N 1 1 302.371 -1.167 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1)C(C)C ZINC000879695769 663954439 /nfs/dbraw/zinc/95/44/39/663954439.db2.gz PVCKRGSGBXODIR-LOWVWBTDSA-N 1 1 302.371 -1.167 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531573 663954491 /nfs/dbraw/zinc/95/44/91/663954491.db2.gz HCOFAFCNURVTFF-AOOOYVTPSA-N 1 1 311.338 -1.446 20 0 DAADMO C[C@H]1CN(C(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000879352786 663954617 /nfs/dbraw/zinc/95/46/17/663954617.db2.gz CYVABNYDUDRVJH-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717793 663954630 /nfs/dbraw/zinc/95/46/30/663954630.db2.gz HVLMSUWCBVXXPV-PWSUYJOCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717793 663954634 /nfs/dbraw/zinc/95/46/34/663954634.db2.gz HVLMSUWCBVXXPV-PWSUYJOCSA-N 1 1 310.354 -1.092 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532474 663954687 /nfs/dbraw/zinc/95/46/87/663954687.db2.gz YRXUQLUPJPEONA-AOOOYVTPSA-N 1 1 311.338 -1.446 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC000879531419 663954744 /nfs/dbraw/zinc/95/47/44/663954744.db2.gz DIURKOMBDMEPJJ-TXEJJXNPSA-N 1 1 322.365 -1.776 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1)N1CCNC(=O)C1 ZINC000880589009 663956823 /nfs/dbraw/zinc/95/68/23/663956823.db2.gz ZYRCLMXDVXOBRB-GFCCVEGCSA-N 1 1 311.382 -1.192 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000881812366 663957838 /nfs/dbraw/zinc/95/78/38/663957838.db2.gz GWMQEHQQXDIYAN-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882100864 663958438 /nfs/dbraw/zinc/95/84/38/663958438.db2.gz MXGKHGWKIQAVTL-GOSISDBHSA-N 1 1 316.449 -1.027 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882100864 663958446 /nfs/dbraw/zinc/95/84/46/663958446.db2.gz MXGKHGWKIQAVTL-GOSISDBHSA-N 1 1 316.449 -1.027 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000882487409 663959759 /nfs/dbraw/zinc/95/97/59/663959759.db2.gz FAAZPJIDPHXKHY-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO Cn1nccc1S(=O)(=O)NCC[N@H+](C)CCOCCO ZINC000882754826 663960713 /nfs/dbraw/zinc/96/07/13/663960713.db2.gz JKXGGKDYYYEMSQ-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO Cn1nccc1S(=O)(=O)NCC[N@@H+](C)CCOCCO ZINC000882754826 663960717 /nfs/dbraw/zinc/96/07/17/663960717.db2.gz JKXGGKDYYYEMSQ-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO COCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000884430290 663964622 /nfs/dbraw/zinc/96/46/22/663964622.db2.gz LJDGANOMWSWDSR-GFCCVEGCSA-N 1 1 313.402 -1.480 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884562488 663965268 /nfs/dbraw/zinc/96/52/68/663965268.db2.gz BRHHUWLKTHDBHU-VXGBXAGGSA-N 1 1 300.403 -1.266 20 0 DAADMO CN(C(=O)c1nccnc1C(N)=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006384903 663967965 /nfs/dbraw/zinc/96/79/65/663967965.db2.gz RIJLMEBJSNIQED-UHFFFAOYSA-N 1 1 320.353 -1.403 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000885288990 663968515 /nfs/dbraw/zinc/96/85/15/663968515.db2.gz JOFFFZKHAOAIEL-LLVKDONJSA-N 1 1 318.443 -1.383 20 0 DAADMO COCCn1cc(S(=O)(=O)NCC[N@H+](C)CCO)cn1 ZINC000885805785 663969543 /nfs/dbraw/zinc/96/95/43/663969543.db2.gz YPZQIMPMLZTINZ-UHFFFAOYSA-N 1 1 306.388 -1.268 20 0 DAADMO COCCn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)cn1 ZINC000885805785 663969545 /nfs/dbraw/zinc/96/95/45/663969545.db2.gz YPZQIMPMLZTINZ-UHFFFAOYSA-N 1 1 306.388 -1.268 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000886179870 663971432 /nfs/dbraw/zinc/97/14/32/663971432.db2.gz DRPNXCUOCTYDFA-OUAUKWLOSA-N 1 1 302.400 -1.313 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886188769 663971685 /nfs/dbraw/zinc/97/16/85/663971685.db2.gz ABJNGQRGGKSWIA-QWRGUYRKSA-N 1 1 302.400 -1.169 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189476 663972393 /nfs/dbraw/zinc/97/23/93/663972393.db2.gz NQPWOYYTIDVJQS-ZJUUUORDSA-N 1 1 304.372 -2.322 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189476 663972396 /nfs/dbraw/zinc/97/23/96/663972396.db2.gz NQPWOYYTIDVJQS-ZJUUUORDSA-N 1 1 304.372 -2.322 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189475 663972524 /nfs/dbraw/zinc/97/25/24/663972524.db2.gz NQPWOYYTIDVJQS-VHSXEESVSA-N 1 1 304.372 -2.322 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189475 663972527 /nfs/dbraw/zinc/97/25/27/663972527.db2.gz NQPWOYYTIDVJQS-VHSXEESVSA-N 1 1 304.372 -2.322 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@@H]2C1 ZINC000887303614 663976112 /nfs/dbraw/zinc/97/61/12/663976112.db2.gz YBYKHRDJNWWPKJ-FRRDWIJNSA-N 1 1 309.366 -1.094 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC000887907295 663976673 /nfs/dbraw/zinc/97/66/73/663976673.db2.gz NTMDJBAGPXYZKT-BETUJISGSA-N 1 1 315.439 -1.017 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC000887907295 663976678 /nfs/dbraw/zinc/97/66/78/663976678.db2.gz NTMDJBAGPXYZKT-BETUJISGSA-N 1 1 315.439 -1.017 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CS(N)(=O)=O ZINC000887866176 663976772 /nfs/dbraw/zinc/97/67/72/663976772.db2.gz CZVOMWWUULPABM-VWYCJHECSA-N 1 1 305.400 -1.300 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CS(N)(=O)=O ZINC000887866176 663976773 /nfs/dbraw/zinc/97/67/73/663976773.db2.gz CZVOMWWUULPABM-VWYCJHECSA-N 1 1 305.400 -1.300 20 0 DAADMO C[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000888041322 663976832 /nfs/dbraw/zinc/97/68/32/663976832.db2.gz CYYSYCJVLYPJNO-KKOKHZNYSA-N 1 1 300.403 -1.114 20 0 DAADMO C[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000888041322 663976835 /nfs/dbraw/zinc/97/68/35/663976835.db2.gz CYYSYCJVLYPJNO-KKOKHZNYSA-N 1 1 300.403 -1.114 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887920532 663977100 /nfs/dbraw/zinc/97/71/00/663977100.db2.gz ALNRDPFEZGJVTH-UHIISALHSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889754614 663977401 /nfs/dbraw/zinc/97/74/01/663977401.db2.gz AZHBWNSVDABXPE-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888986445 663977718 /nfs/dbraw/zinc/97/77/18/663977718.db2.gz HCURDSSBIUYHMT-UHFFFAOYSA-N 1 1 306.432 -1.416 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743157 663977512 /nfs/dbraw/zinc/97/75/12/663977512.db2.gz DHRGAAKMIUOZCO-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1=O ZINC000889763921 663977732 /nfs/dbraw/zinc/97/77/32/663977732.db2.gz VFXXHGYREYACTM-RYUDHWBXSA-N 1 1 309.370 -1.361 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(=O)n1C ZINC000889752120 663977791 /nfs/dbraw/zinc/97/77/91/663977791.db2.gz WJYDKZYSWVLHGH-OLZOCXBDSA-N 1 1 323.397 -1.052 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889754618 663977803 /nfs/dbraw/zinc/97/78/03/663977803.db2.gz AZHBWNSVDABXPE-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889743606 663977865 /nfs/dbraw/zinc/97/78/65/663977865.db2.gz HMOARVPKSPEGNS-UPJWGTAASA-N 1 1 311.382 -1.099 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1=O ZINC000889763911 663977884 /nfs/dbraw/zinc/97/78/84/663977884.db2.gz VFXXHGYREYACTM-NEPJUHHUSA-N 1 1 309.370 -1.361 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1=O ZINC000889763923 663977914 /nfs/dbraw/zinc/97/79/14/663977914.db2.gz VFXXHGYREYACTM-VXGBXAGGSA-N 1 1 309.370 -1.361 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889754611 663977968 /nfs/dbraw/zinc/97/79/68/663977968.db2.gz AZHBWNSVDABXPE-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888991221 663977975 /nfs/dbraw/zinc/97/79/75/663977975.db2.gz TYLZLOSQEUCTNS-LLVKDONJSA-N 1 1 306.432 -1.370 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889765428 663978163 /nfs/dbraw/zinc/97/81/63/663978163.db2.gz YKPWKGHETZQWCP-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)S(C)(=O)=O ZINC000889776582 663978399 /nfs/dbraw/zinc/97/83/99/663978399.db2.gz SYRWMXKJIZVTNR-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H]1CCCN1S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923716757 663979512 /nfs/dbraw/zinc/97/95/12/663979512.db2.gz FPPUAYUVMQGMBQ-AXFHLTTASA-N 1 1 323.440 -1.214 20 0 DAADMO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923716758 663979644 /nfs/dbraw/zinc/97/96/44/663979644.db2.gz FPPUAYUVMQGMBQ-MXWKQRLJSA-N 1 1 323.440 -1.214 20 0 DAADMO CN(CC1CC1)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923716721 663979914 /nfs/dbraw/zinc/97/99/14/663979914.db2.gz MWSFAHVPPIWARU-MNOVXSKESA-N 1 1 323.440 -1.356 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924986513 663980522 /nfs/dbraw/zinc/98/05/22/663980522.db2.gz IBSIKWPSHIYLAU-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCN1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926295213 663981295 /nfs/dbraw/zinc/98/12/95/663981295.db2.gz MJOPNZIPIZNJCL-OAHLLOKOSA-N 1 1 312.414 -1.147 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000925405550 663981625 /nfs/dbraw/zinc/98/16/25/663981625.db2.gz XXAPLILZHSDYGN-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CCN(C2CC2)C1 ZINC000926330982 663982361 /nfs/dbraw/zinc/98/23/61/663982361.db2.gz CZBXYGLWHMZQKG-CZUORRHYSA-N 1 1 324.425 -1.006 20 0 DAADMO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000926413702 663984219 /nfs/dbraw/zinc/98/42/19/663984219.db2.gz QNGJMGPIJVVYML-CZUORRHYSA-N 1 1 322.409 -1.229 20 0 DAADMO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000926413700 663984583 /nfs/dbraw/zinc/98/45/83/663984583.db2.gz QNGJMGPIJVVYML-BBRMVZONSA-N 1 1 322.409 -1.229 20 0 DAADMO CN1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426938 663984666 /nfs/dbraw/zinc/98/46/66/663984666.db2.gz ATKNTMYPDYRVPG-QNWHQSFQSA-N 1 1 310.398 -1.765 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947035899 663985668 /nfs/dbraw/zinc/98/56/68/663985668.db2.gz IKCODYRSACBSCC-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cnnn1C ZINC000947035899 663985670 /nfs/dbraw/zinc/98/56/70/663985670.db2.gz IKCODYRSACBSCC-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCC2(S(N)(=O)=O)CCC2)C1 ZINC000928144484 663986100 /nfs/dbraw/zinc/98/61/00/663986100.db2.gz UVWFWELANBZWOI-UHFFFAOYSA-N 1 1 318.443 -1.193 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085511 663986468 /nfs/dbraw/zinc/98/64/68/663986468.db2.gz JBPQWJVASAWPFS-NXEZZACHSA-N 1 1 322.456 -1.264 20 0 DAADMO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000928442095 663986612 /nfs/dbraw/zinc/98/66/12/663986612.db2.gz RAEAPKTUKAIYCS-VHSXEESVSA-N 1 1 315.399 -1.093 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000928442091 663986976 /nfs/dbraw/zinc/98/69/76/663986976.db2.gz RAEAPKTUKAIYCS-NXEZZACHSA-N 1 1 315.399 -1.093 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954327650 663987127 /nfs/dbraw/zinc/98/71/27/663987127.db2.gz SFALUPNHIZQQNE-UHFFFAOYSA-N 1 1 318.341 -1.302 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000929473154 663988507 /nfs/dbraw/zinc/98/85/07/663988507.db2.gz YRNKVRZMIAZZLF-UPJWGTAASA-N 1 1 322.427 -1.098 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@H](O)C1(O)CCOCC1 ZINC000929779368 663988795 /nfs/dbraw/zinc/98/87/95/663988795.db2.gz ZJWABPCOFPWTGG-AWEZNQCLSA-N 1 1 318.414 -1.485 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000929521801 663989300 /nfs/dbraw/zinc/98/93/00/663989300.db2.gz OWEDFKDCNAGZIT-MELADBBJSA-N 1 1 317.430 -1.113 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929988333 663989753 /nfs/dbraw/zinc/98/97/53/663989753.db2.gz NARRBCPTMJVCCQ-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000929983027 663990089 /nfs/dbraw/zinc/99/00/89/663990089.db2.gz UNXGLFZPFCBNDH-NWDGAFQWSA-N 1 1 322.427 -1.098 20 0 DAADMO COCC(COC)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929984806 663990217 /nfs/dbraw/zinc/99/02/17/663990217.db2.gz XYXDVTZSZCDQHC-CHWSQXEVSA-N 1 1 322.427 -1.265 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929988331 663990270 /nfs/dbraw/zinc/99/02/70/663990270.db2.gz NARRBCPTMJVCCQ-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO COCC(COC)[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929984808 663990293 /nfs/dbraw/zinc/99/02/93/663990293.db2.gz XYXDVTZSZCDQHC-QWHCGFSZSA-N 1 1 322.427 -1.265 20 0 DAADMO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000930190398 663990377 /nfs/dbraw/zinc/99/03/77/663990377.db2.gz NZTZHEPCXGJQQM-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000930484708 663991040 /nfs/dbraw/zinc/99/10/40/663991040.db2.gz NLLCMPVRHXOYDI-GRYCIOLGSA-N 1 1 305.400 -1.128 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H]3CCN(OC)C3=O)C[C@H]21 ZINC000931023603 663993093 /nfs/dbraw/zinc/99/30/93/663993093.db2.gz DYZXPRWQDFJABR-MMWGEVLESA-N 1 1 304.368 -1.108 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H]3CCN(OC)C3=O)C[C@H]21 ZINC000931023603 663993094 /nfs/dbraw/zinc/99/30/94/663993094.db2.gz DYZXPRWQDFJABR-MMWGEVLESA-N 1 1 304.368 -1.108 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000931078451 663993175 /nfs/dbraw/zinc/99/31/75/663993175.db2.gz WCDBSYNCIOROHI-IOASZLSFSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000931247211 663993353 /nfs/dbraw/zinc/99/33/53/663993353.db2.gz MBTJGCXNUHINNN-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000931247211 663993357 /nfs/dbraw/zinc/99/33/57/663993357.db2.gz MBTJGCXNUHINNN-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000931247212 663993540 /nfs/dbraw/zinc/99/35/40/663993540.db2.gz MBTJGCXNUHINNN-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000931247212 663993543 /nfs/dbraw/zinc/99/35/43/663993543.db2.gz MBTJGCXNUHINNN-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)CN2CCn3cc[nH+]c32)CC1 ZINC000931525550 663993978 /nfs/dbraw/zinc/99/39/78/663993978.db2.gz FPUWFZWHFLAVAT-UHFFFAOYSA-N 1 1 320.397 -1.065 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931488831 663994000 /nfs/dbraw/zinc/99/40/00/663994000.db2.gz WUJPGULYVGEFBI-ZFWWWQNUSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931488831 663994004 /nfs/dbraw/zinc/99/40/04/663994004.db2.gz WUJPGULYVGEFBI-ZFWWWQNUSA-N 1 1 315.414 -1.405 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CO ZINC000931413514 663994033 /nfs/dbraw/zinc/99/40/33/663994033.db2.gz YCHKHSVXTUJSDY-QMMMGPOBSA-N 1 1 312.292 -1.017 20 0 DAADMO C[N@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CO ZINC000931413514 663994036 /nfs/dbraw/zinc/99/40/36/663994036.db2.gz YCHKHSVXTUJSDY-QMMMGPOBSA-N 1 1 312.292 -1.017 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C[C@@H]1CO ZINC000931402814 663994260 /nfs/dbraw/zinc/99/42/60/663994260.db2.gz HPIBPTGOMAECSO-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCC(=O)NC(C)(C)C)C[C@@H]1CO ZINC000931402814 663994262 /nfs/dbraw/zinc/99/42/62/663994262.db2.gz HPIBPTGOMAECSO-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC(OC)(OC)[C@H](O)C1 ZINC000931632760 663995307 /nfs/dbraw/zinc/99/53/07/663995307.db2.gz ANMCZFKOXBFAGO-QWHCGFSZSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632760 663995311 /nfs/dbraw/zinc/99/53/11/663995311.db2.gz ANMCZFKOXBFAGO-QWHCGFSZSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632760 663995316 /nfs/dbraw/zinc/99/53/16/663995316.db2.gz ANMCZFKOXBFAGO-QWHCGFSZSA-N 1 1 306.403 -1.019 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000931875796 663995781 /nfs/dbraw/zinc/99/57/81/663995781.db2.gz FQEZZEQGVIPMTA-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000931875796 663995784 /nfs/dbraw/zinc/99/57/84/663995784.db2.gz FQEZZEQGVIPMTA-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000931884174 663995987 /nfs/dbraw/zinc/99/59/87/663995987.db2.gz FMZADFSAVJRTOI-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000931884174 663995990 /nfs/dbraw/zinc/99/59/90/663995990.db2.gz FMZADFSAVJRTOI-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000931884167 663996021 /nfs/dbraw/zinc/99/60/21/663996021.db2.gz FMZADFSAVJRTOI-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000931884167 663996023 /nfs/dbraw/zinc/99/60/23/663996023.db2.gz FMZADFSAVJRTOI-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932043636 663997033 /nfs/dbraw/zinc/99/70/33/663997033.db2.gz PLMAAGWWRIMTLG-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879256 663996214 /nfs/dbraw/zinc/99/62/14/663996214.db2.gz WUJGMZVUNSTBMG-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000931881609 663996350 /nfs/dbraw/zinc/99/63/50/663996350.db2.gz COSQMKLITAZTCZ-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000931881609 663996354 /nfs/dbraw/zinc/99/63/54/663996354.db2.gz COSQMKLITAZTCZ-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000931886904 663997223 /nfs/dbraw/zinc/99/72/23/663997223.db2.gz QNMMAOVPZBLMHX-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000931886904 663997229 /nfs/dbraw/zinc/99/72/29/663997229.db2.gz QNMMAOVPZBLMHX-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[NH+]1CCCC1 ZINC000932029760 663997595 /nfs/dbraw/zinc/99/75/95/663997595.db2.gz OROLFKKMJCCWDC-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CCCC1 ZINC000932046620 663997611 /nfs/dbraw/zinc/99/76/11/663997611.db2.gz PSJCNPGJFHXXKZ-NSHDSACASA-N 1 1 317.411 -1.110 20 0 DAADMO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932034615 663997711 /nfs/dbraw/zinc/99/77/11/663997711.db2.gz NOHXWYAFRMNWCU-JTQLQIEISA-N 1 1 305.400 -1.300 20 0 DAADMO COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931886738 663997751 /nfs/dbraw/zinc/99/77/51/663997751.db2.gz NDSVSJZQGVGVKG-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)N(C)CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931886738 663997753 /nfs/dbraw/zinc/99/77/53/663997753.db2.gz NDSVSJZQGVGVKG-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000931888750 663997821 /nfs/dbraw/zinc/99/78/21/663997821.db2.gz RHIHPYWDAURQRZ-UZJPJQLHSA-N 1 1 317.415 -1.458 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000931888750 663997822 /nfs/dbraw/zinc/99/78/22/663997822.db2.gz RHIHPYWDAURQRZ-UZJPJQLHSA-N 1 1 317.415 -1.458 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000305 /nfs/dbraw/zinc/00/03/05/664000305.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 1 1 309.432 -1.464 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964654 664000193 /nfs/dbraw/zinc/00/01/93/664000193.db2.gz UAVOFBWRQAFUDN-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964654 664000194 /nfs/dbraw/zinc/00/01/94/664000194.db2.gz UAVOFBWRQAFUDN-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948809 664000302 /nfs/dbraw/zinc/00/03/02/664000302.db2.gz UENMEBGYFPHALW-RYUDHWBXSA-N 1 1 309.432 -1.464 20 0 DAADMO COCCOCCOCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933091611 664000713 /nfs/dbraw/zinc/00/07/13/664000713.db2.gz BDUSFVAZCLLJJJ-LBPRGKRZSA-N 1 1 323.415 -1.500 20 0 DAADMO COCCOCCOCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933091611 664000715 /nfs/dbraw/zinc/00/07/15/664000715.db2.gz BDUSFVAZCLLJJJ-LBPRGKRZSA-N 1 1 323.415 -1.500 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933101978 664001230 /nfs/dbraw/zinc/00/12/30/664001230.db2.gz AQJWOYVYYCGRBO-VXGBXAGGSA-N 1 1 307.416 -1.146 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933101978 664001233 /nfs/dbraw/zinc/00/12/33/664001233.db2.gz AQJWOYVYYCGRBO-VXGBXAGGSA-N 1 1 307.416 -1.146 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000933435170 664001316 /nfs/dbraw/zinc/00/13/16/664001316.db2.gz OFHCXTCSAABJJO-GRYCIOLGSA-N 1 1 323.401 -1.024 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700728 664001728 /nfs/dbraw/zinc/00/17/28/664001728.db2.gz SLYQRLCMMNMTOZ-AGIUHOORSA-N 1 1 323.459 -1.218 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000933486240 664002079 /nfs/dbraw/zinc/00/20/79/664002079.db2.gz MZJRUDURDNXNJG-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)C1 ZINC000933850341 664002125 /nfs/dbraw/zinc/00/21/25/664002125.db2.gz FTYHOALHLLHKCI-NWDGAFQWSA-N 1 1 313.398 -1.354 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000935189670 664003957 /nfs/dbraw/zinc/00/39/57/664003957.db2.gz LIZDLBYPMHDAGK-DCAQKATOSA-N 1 1 309.374 -1.271 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000935070316 664004547 /nfs/dbraw/zinc/00/45/47/664004547.db2.gz BFURZWHGBUCXHH-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000935429792 664004761 /nfs/dbraw/zinc/00/47/61/664004761.db2.gz FSJBRLINRQMPCE-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935777595 664005303 /nfs/dbraw/zinc/00/53/03/664005303.db2.gz SZHCPFMXOOOTKY-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935777595 664005304 /nfs/dbraw/zinc/00/53/04/664005304.db2.gz SZHCPFMXOOOTKY-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000935426608 664005339 /nfs/dbraw/zinc/00/53/39/664005339.db2.gz AFPWHOKQISSGHW-QWRGUYRKSA-N 1 1 317.411 -1.111 20 0 DAADMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000935426608 664005345 /nfs/dbraw/zinc/00/53/45/664005345.db2.gz AFPWHOKQISSGHW-QWRGUYRKSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CC(N)=O ZINC000947396672 664007553 /nfs/dbraw/zinc/00/75/53/664007553.db2.gz ZTMZJQUHOVVTCZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CC(N)=O ZINC000947396672 664007558 /nfs/dbraw/zinc/00/75/58/664007558.db2.gz ZTMZJQUHOVVTCZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CC(N)=O ZINC000947396674 664007832 /nfs/dbraw/zinc/00/78/32/664007832.db2.gz ZTMZJQUHOVVTCZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CC(N)=O ZINC000947396674 664007837 /nfs/dbraw/zinc/00/78/37/664007837.db2.gz ZTMZJQUHOVVTCZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000947398781 664007880 /nfs/dbraw/zinc/00/78/80/664007880.db2.gz IHSILAFQFULVKI-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC000947463878 664008208 /nfs/dbraw/zinc/00/82/08/664008208.db2.gz NSOBXIAALUXTSX-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC000947630247 664009188 /nfs/dbraw/zinc/00/91/88/664009188.db2.gz XNBSDNHJZYWUTA-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000947678974 664009592 /nfs/dbraw/zinc/00/95/92/664009592.db2.gz CVIIGAVNNNGQST-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000947678975 664009865 /nfs/dbraw/zinc/00/98/65/664009865.db2.gz CVIIGAVNNNGQST-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC000947821625 664010865 /nfs/dbraw/zinc/01/08/65/664010865.db2.gz XKOOCBRAUOULMV-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC000947821625 664010868 /nfs/dbraw/zinc/01/08/68/664010868.db2.gz XKOOCBRAUOULMV-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CCCO ZINC000948013463 664011851 /nfs/dbraw/zinc/01/18/51/664011851.db2.gz WVOKVZQOGSYSHL-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCO)[C@@H](C)C2)c(=O)n1C ZINC000947983527 664012311 /nfs/dbraw/zinc/01/23/11/664012311.db2.gz BPENNVTUSOGFCH-CMPLNLGQSA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CC(N)=O ZINC000948070776 664013694 /nfs/dbraw/zinc/01/36/94/664013694.db2.gz SLTQIHCPWYKQEG-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CC(N)=O ZINC000948070776 664013699 /nfs/dbraw/zinc/01/36/99/664013699.db2.gz SLTQIHCPWYKQEG-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CC(N)=O ZINC000948070775 664013908 /nfs/dbraw/zinc/01/39/08/664013908.db2.gz SLTQIHCPWYKQEG-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CC(N)=O ZINC000948070775 664013915 /nfs/dbraw/zinc/01/39/15/664013915.db2.gz SLTQIHCPWYKQEG-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC(N)=O ZINC000948078089 664014280 /nfs/dbraw/zinc/01/42/80/664014280.db2.gz HUCZXCCPYVFJAH-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@H+]1CC(N)=O ZINC000948078089 664014286 /nfs/dbraw/zinc/01/42/86/664014286.db2.gz HUCZXCCPYVFJAH-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC(N)=O ZINC000948078091 664014615 /nfs/dbraw/zinc/01/46/15/664014615.db2.gz HUCZXCCPYVFJAH-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@H+]1CC(N)=O ZINC000948078091 664014620 /nfs/dbraw/zinc/01/46/20/664014620.db2.gz HUCZXCCPYVFJAH-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO NC(=O)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000948084215 664015283 /nfs/dbraw/zinc/01/52/83/664015283.db2.gz RHXYRTGAFJPUON-NWDGAFQWSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173193 664015898 /nfs/dbraw/zinc/01/58/98/664015898.db2.gz HSSRFUJQCYGLAC-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173196 664015950 /nfs/dbraw/zinc/01/59/50/664015950.db2.gz HSSRFUJQCYGLAC-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948377143 664016464 /nfs/dbraw/zinc/01/64/64/664016464.db2.gz HKVWNQMSINXJPY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948445359 664017565 /nfs/dbraw/zinc/01/75/65/664017565.db2.gz ZEOBSKHMMSZMRM-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC000948732364 664020192 /nfs/dbraw/zinc/02/01/92/664020192.db2.gz CGUPIUMNXVZOMV-SNVBAGLBSA-N 1 1 305.400 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000948732364 664020198 /nfs/dbraw/zinc/02/01/98/664020198.db2.gz CGUPIUMNXVZOMV-SNVBAGLBSA-N 1 1 305.400 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)c2nnn(C)n2)CC1 ZINC000948694643 664020661 /nfs/dbraw/zinc/02/06/61/664020661.db2.gz RUCMKHUVLLOBHZ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948851957 664023171 /nfs/dbraw/zinc/02/31/71/664023171.db2.gz FSQGCFPRIGROOQ-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948957047 664025807 /nfs/dbraw/zinc/02/58/07/664025807.db2.gz FUCOLBXYVNSYLQ-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 ZINC000949021388 664026184 /nfs/dbraw/zinc/02/61/84/664026184.db2.gz OHIZVKJNGWMTGX-UHFFFAOYSA-N 1 1 323.357 -2.148 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cnnn1 ZINC000949143199 664028832 /nfs/dbraw/zinc/02/88/32/664028832.db2.gz IOGLEPSOWPNOPL-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC000949139779 664028978 /nfs/dbraw/zinc/02/89/78/664028978.db2.gz STPRUWPUWPBBSF-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC000949139778 664029276 /nfs/dbraw/zinc/02/92/76/664029276.db2.gz STPRUWPUWPBBSF-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC000949149200 664029692 /nfs/dbraw/zinc/02/96/92/664029692.db2.gz MSOQXHYMWNVMBB-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236587 664030818 /nfs/dbraw/zinc/03/08/18/664030818.db2.gz BCRVSABVDHAHLB-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236587 664030821 /nfs/dbraw/zinc/03/08/21/664030821.db2.gz BCRVSABVDHAHLB-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)Cc1nnc[nH]1)CCO2 ZINC000949227143 664030957 /nfs/dbraw/zinc/03/09/57/664030957.db2.gz UBRXSEASMVESDH-UHFFFAOYSA-N 1 1 322.369 -1.474 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000949180395 664031011 /nfs/dbraw/zinc/03/10/11/664031011.db2.gz MGNGNDQWTNEOOE-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238777 664031314 /nfs/dbraw/zinc/03/13/14/664031314.db2.gz MJFCIYXPRNZCCF-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238777 664031318 /nfs/dbraw/zinc/03/13/18/664031318.db2.gz MJFCIYXPRNZCCF-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239198 664031435 /nfs/dbraw/zinc/03/14/35/664031435.db2.gz QJYUXNTTYCAXLA-ZJUUUORDSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239198 664031441 /nfs/dbraw/zinc/03/14/41/664031441.db2.gz QJYUXNTTYCAXLA-ZJUUUORDSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949242332 664031528 /nfs/dbraw/zinc/03/15/28/664031528.db2.gz BOIUAJARRCMHMP-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949242332 664031530 /nfs/dbraw/zinc/03/15/30/664031530.db2.gz BOIUAJARRCMHMP-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238978 664031553 /nfs/dbraw/zinc/03/15/53/664031553.db2.gz OUDRVEGYLGXAHP-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238978 664031557 /nfs/dbraw/zinc/03/15/57/664031557.db2.gz OUDRVEGYLGXAHP-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239196 664031662 /nfs/dbraw/zinc/03/16/62/664031662.db2.gz QJYUXNTTYCAXLA-UWVGGRQHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239196 664031668 /nfs/dbraw/zinc/03/16/68/664031668.db2.gz QJYUXNTTYCAXLA-UWVGGRQHSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949239564 664031775 /nfs/dbraw/zinc/03/17/75/664031775.db2.gz SLYFXWFQYBDSOC-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949239564 664031779 /nfs/dbraw/zinc/03/17/79/664031779.db2.gz SLYFXWFQYBDSOC-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239164 664031884 /nfs/dbraw/zinc/03/18/84/664031884.db2.gz PRTPSWCQZDMHDM-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239164 664031889 /nfs/dbraw/zinc/03/18/89/664031889.db2.gz PRTPSWCQZDMHDM-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238977 664032430 /nfs/dbraw/zinc/03/24/30/664032430.db2.gz OUDRVEGYLGXAHP-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238977 664032436 /nfs/dbraw/zinc/03/24/36/664032436.db2.gz OUDRVEGYLGXAHP-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949472569 664036567 /nfs/dbraw/zinc/03/65/67/664036567.db2.gz HBNPQFUMIYEMPS-NEPJUHHUSA-N 1 1 311.382 -1.207 20 0 DAADMO Cn1nnc(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)n1 ZINC000949444415 664036642 /nfs/dbraw/zinc/03/66/42/664036642.db2.gz JAGROMHHRDOIMK-UHFFFAOYSA-N 1 1 310.358 -1.491 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000949648486 664040449 /nfs/dbraw/zinc/04/04/49/664040449.db2.gz IPGRDLNUBPBPMR-STQMWFEESA-N 1 1 321.381 -1.476 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000949718546 664043216 /nfs/dbraw/zinc/04/32/16/664043216.db2.gz PJFAPBMAQYRFIX-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000949718546 664043219 /nfs/dbraw/zinc/04/32/19/664043219.db2.gz PJFAPBMAQYRFIX-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nnc(C(=O)N2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)n1 ZINC000949718817 664043603 /nfs/dbraw/zinc/04/36/03/664043603.db2.gz CISNDLTYRRUSOK-LLVKDONJSA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1nnc(C(=O)N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)n1 ZINC000949718818 664044001 /nfs/dbraw/zinc/04/40/01/664044001.db2.gz CISNDLTYRRUSOK-NSHDSACASA-N 1 1 321.385 -1.116 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000949947785 664048472 /nfs/dbraw/zinc/04/84/72/664048472.db2.gz JWDGQIXWMSNLKF-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000950077201 664050849 /nfs/dbraw/zinc/05/08/49/664050849.db2.gz MXCFCWGPVDFKII-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000950077203 664051022 /nfs/dbraw/zinc/05/10/22/664051022.db2.gz MXCFCWGPVDFKII-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000950077200 664051096 /nfs/dbraw/zinc/05/10/96/664051096.db2.gz MXCFCWGPVDFKII-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)CC[N@H+]1C ZINC000950246077 664052922 /nfs/dbraw/zinc/05/29/22/664052922.db2.gz QCLBTRBLANLYSQ-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)CC[N@H+]1C ZINC000950243806 664053274 /nfs/dbraw/zinc/05/32/74/664053274.db2.gz MVXSMTAMBGAFFI-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000950243642 664053432 /nfs/dbraw/zinc/05/34/32/664053432.db2.gz JMIIVWZZZGXRSB-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000950230891 664053449 /nfs/dbraw/zinc/05/34/49/664053449.db2.gz KOMSIUJNSBOBOD-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271493 664054367 /nfs/dbraw/zinc/05/43/67/664054367.db2.gz NPJPXAUNSDGFBN-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271493 664054370 /nfs/dbraw/zinc/05/43/70/664054370.db2.gz NPJPXAUNSDGFBN-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271337 664054414 /nfs/dbraw/zinc/05/44/14/664054414.db2.gz KJJNXXTZVFDXCV-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271337 664054418 /nfs/dbraw/zinc/05/44/18/664054418.db2.gz KJJNXXTZVFDXCV-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263860 664054667 /nfs/dbraw/zinc/05/46/67/664054667.db2.gz FTFYGNNDEVCVDQ-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263860 664054670 /nfs/dbraw/zinc/05/46/70/664054670.db2.gz FTFYGNNDEVCVDQ-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000950862992 664063511 /nfs/dbraw/zinc/06/35/11/664063511.db2.gz OTVYWDGGIJIJRK-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000950870499 664063617 /nfs/dbraw/zinc/06/36/17/664063617.db2.gz VHAOACDNZIGWAA-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000951010334 664068158 /nfs/dbraw/zinc/06/81/58/664068158.db2.gz PFSIDFDJERFKGH-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000951010334 664068162 /nfs/dbraw/zinc/06/81/62/664068162.db2.gz PFSIDFDJERFKGH-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000951087765 664069696 /nfs/dbraw/zinc/06/96/96/664069696.db2.gz YAAKIOWCIXWZNQ-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000951087765 664069700 /nfs/dbraw/zinc/06/97/00/664069700.db2.gz YAAKIOWCIXWZNQ-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)no1 ZINC000951270571 664073927 /nfs/dbraw/zinc/07/39/27/664073927.db2.gz NRTIIHAEPVJSCP-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000951441311 664077407 /nfs/dbraw/zinc/07/74/07/664077407.db2.gz AOROBIVQMAEFGS-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000951441311 664077413 /nfs/dbraw/zinc/07/74/13/664077413.db2.gz AOROBIVQMAEFGS-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000951620304 664087395 /nfs/dbraw/zinc/08/73/95/664087395.db2.gz FPXGNLXGXICVQS-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000951620304 664087398 /nfs/dbraw/zinc/08/73/98/664087398.db2.gz FPXGNLXGXICVQS-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000951672204 664091168 /nfs/dbraw/zinc/09/11/68/664091168.db2.gz XIIGKWYBULCGIC-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[NH+](CCCO)CC1 ZINC000951703570 664092068 /nfs/dbraw/zinc/09/20/68/664092068.db2.gz WLADCWUXWKRANT-UHFFFAOYSA-N 1 1 310.354 -1.499 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)CC2 ZINC000951853268 664097752 /nfs/dbraw/zinc/09/77/52/664097752.db2.gz WSLOEANTJHLSSK-CMPLNLGQSA-N 1 1 319.365 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858243 664098674 /nfs/dbraw/zinc/09/86/74/664098674.db2.gz JRABRQUGJOXUFP-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858243 664098679 /nfs/dbraw/zinc/09/86/79/664098679.db2.gz JRABRQUGJOXUFP-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858241 664098722 /nfs/dbraw/zinc/09/87/22/664098722.db2.gz JRABRQUGJOXUFP-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858241 664098727 /nfs/dbraw/zinc/09/87/27/664098727.db2.gz JRABRQUGJOXUFP-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)O1 ZINC000951860602 664099430 /nfs/dbraw/zinc/09/94/30/664099430.db2.gz LDRVGTJVQBNVRC-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)O1 ZINC000951860602 664099433 /nfs/dbraw/zinc/09/94/33/664099433.db2.gz LDRVGTJVQBNVRC-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000951874499 664099815 /nfs/dbraw/zinc/09/98/15/664099815.db2.gz MYZJMMNCZAOFTO-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000951874500 664099916 /nfs/dbraw/zinc/09/99/16/664099916.db2.gz MYZJMMNCZAOFTO-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000951879242 664102629 /nfs/dbraw/zinc/10/26/29/664102629.db2.gz UGUOCHIABSNIEV-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001006483306 664104408 /nfs/dbraw/zinc/10/44/08/664104408.db2.gz UUCGMFUAZXOPQP-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)C2 ZINC000952152338 664107132 /nfs/dbraw/zinc/10/71/32/664107132.db2.gz FEHFRKLTHAQWCF-GHMZBOCLSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138282 664114477 /nfs/dbraw/zinc/11/44/77/664114477.db2.gz UQCMNYUXAGMEAZ-XHDPSFHLSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138282 664114479 /nfs/dbraw/zinc/11/44/79/664114479.db2.gz UQCMNYUXAGMEAZ-XHDPSFHLSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138281 664114678 /nfs/dbraw/zinc/11/46/78/664114678.db2.gz UQCMNYUXAGMEAZ-NHYWBVRUSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138281 664114682 /nfs/dbraw/zinc/11/46/82/664114682.db2.gz UQCMNYUXAGMEAZ-NHYWBVRUSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953172114 664114872 /nfs/dbraw/zinc/11/48/72/664114872.db2.gz JCTJTZCAZPJUPY-XHDPSFHLSA-N 1 1 308.382 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953691319 664122792 /nfs/dbraw/zinc/12/27/92/664122792.db2.gz XFLVIMFPHQFIHX-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953687919 664122823 /nfs/dbraw/zinc/12/28/23/664122823.db2.gz USLIPWADJWUEKI-PWSUYJOCSA-N 1 1 321.385 -1.460 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)Cn3cnnn3)C2)C1 ZINC000953687362 664123308 /nfs/dbraw/zinc/12/33/08/664123308.db2.gz HTLCZEVSIUZUKZ-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)Cn1cccn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953734281 664124090 /nfs/dbraw/zinc/12/40/90/664124090.db2.gz IASPNTAZNOVVIH-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)Cn1cccn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953734281 664124093 /nfs/dbraw/zinc/12/40/93/664124093.db2.gz IASPNTAZNOVVIH-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1C[NH+](C[C@H](C)O)C1 ZINC000953834009 664126438 /nfs/dbraw/zinc/12/64/38/664126438.db2.gz YJHPFVJAZJMSEO-YLTRJXTNSA-N 1 1 324.381 -1.112 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000953903102 664128374 /nfs/dbraw/zinc/12/83/74/664128374.db2.gz OQRFMSWZLYNCDM-GHMZBOCLSA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953895359 664128487 /nfs/dbraw/zinc/12/84/87/664128487.db2.gz MCSWYIHBVBNTQQ-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953904762 664128693 /nfs/dbraw/zinc/12/86/93/664128693.db2.gz JWLKTXYSUNUKOS-JTQLQIEISA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953905458 664129827 /nfs/dbraw/zinc/12/98/27/664129827.db2.gz ZUVINMKNVVAHLY-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953905460 664129852 /nfs/dbraw/zinc/12/98/52/664129852.db2.gz ZUVINMKNVVAHLY-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953959524 664130315 /nfs/dbraw/zinc/13/03/15/664130315.db2.gz IMXZVIYSBWYQHZ-SNVBAGLBSA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953959524 664130317 /nfs/dbraw/zinc/13/03/17/664130317.db2.gz IMXZVIYSBWYQHZ-SNVBAGLBSA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC000953957898 664130520 /nfs/dbraw/zinc/13/05/20/664130520.db2.gz LNYXTWXLPFOOES-GFCCVEGCSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC000953957898 664130527 /nfs/dbraw/zinc/13/05/27/664130527.db2.gz LNYXTWXLPFOOES-GFCCVEGCSA-N 1 1 321.381 -1.048 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953959503 664130806 /nfs/dbraw/zinc/13/08/06/664130806.db2.gz HOYCTAOKEKCSAL-NSHDSACASA-N 1 1 322.369 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953959503 664130813 /nfs/dbraw/zinc/13/08/13/664130813.db2.gz HOYCTAOKEKCSAL-NSHDSACASA-N 1 1 322.369 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953956283 664130902 /nfs/dbraw/zinc/13/09/02/664130902.db2.gz AMQSZWFTOKLWAQ-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953956283 664130907 /nfs/dbraw/zinc/13/09/07/664130907.db2.gz AMQSZWFTOKLWAQ-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953959996 664130981 /nfs/dbraw/zinc/13/09/81/664130981.db2.gz WZDDFEBFLMBTGL-TZMCWYRMSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000953960053 664131119 /nfs/dbraw/zinc/13/11/19/664131119.db2.gz YOWJNQXGLGHKBO-NSHDSACASA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000953960053 664131121 /nfs/dbraw/zinc/13/11/21/664131121.db2.gz YOWJNQXGLGHKBO-NSHDSACASA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnnn2C)C1 ZINC000953958414 664131147 /nfs/dbraw/zinc/13/11/47/664131147.db2.gz VCJJIWHRBZTXLX-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnnn2C)C1 ZINC000953958414 664131152 /nfs/dbraw/zinc/13/11/52/664131152.db2.gz VCJJIWHRBZTXLX-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954111544 664134714 /nfs/dbraw/zinc/13/47/14/664134714.db2.gz YTESXGYYILYQSN-SNVBAGLBSA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954108418 664135020 /nfs/dbraw/zinc/13/50/20/664135020.db2.gz ZFTPSYCSEMMRRE-NSHDSACASA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954189449 664137965 /nfs/dbraw/zinc/13/79/65/664137965.db2.gz PSVPYSKYLXBBOG-WDEREUQCSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954189447 664138205 /nfs/dbraw/zinc/13/82/05/664138205.db2.gz PSVPYSKYLXBBOG-MNOVXSKESA-N 1 1 310.354 -1.142 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954193503 664138970 /nfs/dbraw/zinc/13/89/70/664138970.db2.gz NJJJBTJGSNQZPK-NSHDSACASA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954211287 664140311 /nfs/dbraw/zinc/14/03/11/664140311.db2.gz PFMVBRVOMBFLBB-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954211287 664140314 /nfs/dbraw/zinc/14/03/14/664140314.db2.gz PFMVBRVOMBFLBB-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CCn2cnnn2)C1 ZINC000954317623 664142861 /nfs/dbraw/zinc/14/28/61/664142861.db2.gz LYLNHYRMXILZAM-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CS(C)(=O)=O)C1 ZINC000954315043 664142948 /nfs/dbraw/zinc/14/29/48/664142948.db2.gz BYOFBJLQAATWQB-JTQLQIEISA-N 1 1 317.411 -1.348 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954315068 664143088 /nfs/dbraw/zinc/14/30/88/664143088.db2.gz CEEVHLIFVSQGTG-JTQLQIEISA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CS(C)(=O)=O)C1 ZINC000954315047 664143230 /nfs/dbraw/zinc/14/32/30/664143230.db2.gz BYOFBJLQAATWQB-SNVBAGLBSA-N 1 1 317.411 -1.348 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000954324681 664143523 /nfs/dbraw/zinc/14/35/23/664143523.db2.gz WLXNNDZDDJVCSW-PWSUYJOCSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000954327562 664143687 /nfs/dbraw/zinc/14/36/87/664143687.db2.gz OWCSYGHIXVGFJK-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954350255 664145199 /nfs/dbraw/zinc/14/51/99/664145199.db2.gz RNMPTALPHSLLGJ-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954368853 664146752 /nfs/dbraw/zinc/14/67/52/664146752.db2.gz DSZRDCKQZUOPAM-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954368853 664146754 /nfs/dbraw/zinc/14/67/54/664146754.db2.gz DSZRDCKQZUOPAM-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954372059 664147211 /nfs/dbraw/zinc/14/72/11/664147211.db2.gz YGQTYHOYJJGYMX-NSHDSACASA-N 1 1 306.370 -1.101 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000954424292 664148044 /nfs/dbraw/zinc/14/80/44/664148044.db2.gz HQIOYZKKWXLLIV-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000954424292 664148047 /nfs/dbraw/zinc/14/80/47/664148047.db2.gz HQIOYZKKWXLLIV-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)CC(N)=O)C1 ZINC000954472554 664148845 /nfs/dbraw/zinc/14/88/45/664148845.db2.gz HNQFUMMCXFZQPV-JQWIXIFHSA-N 1 1 324.381 -1.606 20 0 DAADMO CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CN(C(=O)C(N)=O)C1 ZINC000954512895 664149665 /nfs/dbraw/zinc/14/96/65/664149665.db2.gz QTFARZVERSVTOE-JTQLQIEISA-N 1 1 305.338 -1.085 20 0 DAADMO CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954659258 664153014 /nfs/dbraw/zinc/15/30/14/664153014.db2.gz IBGLMQAKMIXCOG-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954659258 664153019 /nfs/dbraw/zinc/15/30/19/664153019.db2.gz IBGLMQAKMIXCOG-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)C1 ZINC000954729292 664154833 /nfs/dbraw/zinc/15/48/33/664154833.db2.gz ATLNSKSDPPDFOG-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)C1 ZINC000954729292 664154844 /nfs/dbraw/zinc/15/48/44/664154844.db2.gz ATLNSKSDPPDFOG-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954798291 664157314 /nfs/dbraw/zinc/15/73/14/664157314.db2.gz IONGQUHBSHCORL-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954838484 664157893 /nfs/dbraw/zinc/15/78/93/664157893.db2.gz CTLITGBRCZPNHO-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954841279 664158183 /nfs/dbraw/zinc/15/81/83/664158183.db2.gz XUMVPSPIKPYAKD-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954841278 664158536 /nfs/dbraw/zinc/15/85/36/664158536.db2.gz XUMVPSPIKPYAKD-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954915896 664159707 /nfs/dbraw/zinc/15/97/07/664159707.db2.gz MCSWYIHBVBNTQQ-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954945332 664160856 /nfs/dbraw/zinc/16/08/56/664160856.db2.gz SAIARZRSMCYAMN-LLVKDONJSA-N 1 1 322.369 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954945332 664160865 /nfs/dbraw/zinc/16/08/65/664160865.db2.gz SAIARZRSMCYAMN-LLVKDONJSA-N 1 1 322.369 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954954578 664161835 /nfs/dbraw/zinc/16/18/35/664161835.db2.gz FWQUVGZMCGGLDH-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954961510 664162871 /nfs/dbraw/zinc/16/28/71/664162871.db2.gz NBXYHQSUGHKWKR-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954961510 664162879 /nfs/dbraw/zinc/16/28/79/664162879.db2.gz NBXYHQSUGHKWKR-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954961507 664162942 /nfs/dbraw/zinc/16/29/42/664162942.db2.gz NBXYHQSUGHKWKR-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954961507 664162945 /nfs/dbraw/zinc/16/29/45/664162945.db2.gz NBXYHQSUGHKWKR-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954961506 664163297 /nfs/dbraw/zinc/16/32/97/664163297.db2.gz NBXYHQSUGHKWKR-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954961506 664163300 /nfs/dbraw/zinc/16/33/00/664163300.db2.gz NBXYHQSUGHKWKR-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954962814 664164026 /nfs/dbraw/zinc/16/40/26/664164026.db2.gz LVSQTPZTZMHTDN-VXGBXAGGSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954963568 664164060 /nfs/dbraw/zinc/16/40/60/664164060.db2.gz AOUWNFYYUDKHQX-ZYHUDNBSSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC000954965919 664164761 /nfs/dbraw/zinc/16/47/61/664164761.db2.gz WFYWMRDEXNQKRG-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000955028889 664166818 /nfs/dbraw/zinc/16/68/18/664166818.db2.gz OEFLJYJDMNWTHQ-JTQLQIEISA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000955028890 664166846 /nfs/dbraw/zinc/16/68/46/664166846.db2.gz OEFLJYJDMNWTHQ-SNVBAGLBSA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000955033995 664168343 /nfs/dbraw/zinc/16/83/43/664168343.db2.gz XFKAUHBJBLDLBG-MWLCHTKSSA-N 1 1 321.385 -1.167 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955033497 664168551 /nfs/dbraw/zinc/16/85/51/664168551.db2.gz OCVGOOMTALPDEP-SECBINFHSA-N 1 1 307.358 -1.555 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955033498 664168769 /nfs/dbraw/zinc/16/87/69/664168769.db2.gz OCVGOOMTALPDEP-VIFPVBQESA-N 1 1 307.358 -1.555 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000955152129 664173384 /nfs/dbraw/zinc/17/33/84/664173384.db2.gz RMGSATIDMFKRIL-MNOVXSKESA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000955153078 664174427 /nfs/dbraw/zinc/17/44/27/664174427.db2.gz GOKWMUPHGCNKTN-JLLWLGSASA-N 1 1 323.397 -1.323 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000955157072 664175458 /nfs/dbraw/zinc/17/54/58/664175458.db2.gz ZVUAFPDSBYTAQJ-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC000955163811 664178563 /nfs/dbraw/zinc/17/85/63/664178563.db2.gz NHMLSYXRTKSPHH-LLVKDONJSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000955342168 664181471 /nfs/dbraw/zinc/18/14/71/664181471.db2.gz UZIQVRVRRMEMSI-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000955347354 664182289 /nfs/dbraw/zinc/18/22/89/664182289.db2.gz QEHTYXCTXFDPPB-WOPDTQHZSA-N 1 1 308.382 -1.129 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C1CN(C(=O)C(N)=O)C1)C2 ZINC000955353258 664183017 /nfs/dbraw/zinc/18/30/17/664183017.db2.gz ZRGLEXONVHAEOB-JTQLQIEISA-N 1 1 319.365 -1.092 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C1CN(C(=O)C(N)=O)C1)C2 ZINC000955353259 664183289 /nfs/dbraw/zinc/18/32/89/664183289.db2.gz ZRGLEXONVHAEOB-SNVBAGLBSA-N 1 1 319.365 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cn2ncnn2)C1 ZINC000956027438 664193037 /nfs/dbraw/zinc/19/30/37/664193037.db2.gz ANOSIXIQNCWDIW-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000956019835 664193364 /nfs/dbraw/zinc/19/33/64/664193364.db2.gz MYPAWXWFYFYECA-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000956150153 664194827 /nfs/dbraw/zinc/19/48/27/664194827.db2.gz SNPPJRLCJRTJIS-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000956150153 664194833 /nfs/dbraw/zinc/19/48/33/664194833.db2.gz SNPPJRLCJRTJIS-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)no1 ZINC000956188548 664196815 /nfs/dbraw/zinc/19/68/15/664196815.db2.gz MQIQXLKSUKFBOK-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC000956188486 664197052 /nfs/dbraw/zinc/19/70/52/664197052.db2.gz LKWFZMBIJQXLHF-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC000956188486 664197056 /nfs/dbraw/zinc/19/70/56/664197056.db2.gz LKWFZMBIJQXLHF-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001038653626 664198454 /nfs/dbraw/zinc/19/84/54/664198454.db2.gz YJJNTZPSTRGZSL-ZJUUUORDSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001038653626 664198455 /nfs/dbraw/zinc/19/84/55/664198455.db2.gz YJJNTZPSTRGZSL-ZJUUUORDSA-N 1 1 310.358 -2.117 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cc2nc[nH]n2)n1 ZINC001037113737 664198654 /nfs/dbraw/zinc/19/86/54/664198654.db2.gz ZENBQAUOLOKCKL-NXEZZACHSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2cncn2)n1 ZINC001037127993 664198912 /nfs/dbraw/zinc/19/89/12/664198912.db2.gz MWYXXSPYELNEMF-GHMZBOCLSA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2ncnn2)C1 ZINC000956775518 664201502 /nfs/dbraw/zinc/20/15/02/664201502.db2.gz JVMDRYHRNGKFBH-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2cnnn2)C1 ZINC000956771932 664201597 /nfs/dbraw/zinc/20/15/97/664201597.db2.gz DDZBFVOLHBKBLI-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000956946843 664204135 /nfs/dbraw/zinc/20/41/35/664204135.db2.gz OAZKYULJFNRZCW-YGRLFVJLSA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261011 664204329 /nfs/dbraw/zinc/20/43/29/664204329.db2.gz PBIRUROVBLSAFA-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261011 664204333 /nfs/dbraw/zinc/20/43/33/664204333.db2.gz PBIRUROVBLSAFA-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000956946841 664204362 /nfs/dbraw/zinc/20/43/62/664204362.db2.gz OAZKYULJFNRZCW-IINYFYTJSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000956946842 664204446 /nfs/dbraw/zinc/20/44/46/664204446.db2.gz OAZKYULJFNRZCW-QMTHXVAHSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000956928509 664204646 /nfs/dbraw/zinc/20/46/46/664204646.db2.gz KSYPYCRPYBKGQQ-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020504 664204978 /nfs/dbraw/zinc/20/49/78/664204978.db2.gz ZKNGECYCXKGZBG-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020504 664204981 /nfs/dbraw/zinc/20/49/81/664204981.db2.gz ZKNGECYCXKGZBG-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000957134788 664205951 /nfs/dbraw/zinc/20/59/51/664205951.db2.gz GTUWSVPDFCERHN-LBPRGKRZSA-N 1 1 319.369 -1.251 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)no1 ZINC000957171720 664206798 /nfs/dbraw/zinc/20/67/98/664206798.db2.gz DUPXUUUQDHVXPC-AWEZNQCLSA-N 1 1 323.353 -1.058 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000957342443 664210370 /nfs/dbraw/zinc/21/03/70/664210370.db2.gz VTIHFUMDCQACRU-QMTHXVAHSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000957342441 664210726 /nfs/dbraw/zinc/21/07/26/664210726.db2.gz VTIHFUMDCQACRU-HZMBPMFUSA-N 1 1 321.385 -1.117 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(CC(=O)NC)C1 ZINC000957411049 664211741 /nfs/dbraw/zinc/21/17/41/664211741.db2.gz LYQXWNMJZMKDRY-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(CC(=O)NC)C1 ZINC000957411049 664211745 /nfs/dbraw/zinc/21/17/45/664211745.db2.gz LYQXWNMJZMKDRY-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957404901 664211888 /nfs/dbraw/zinc/21/18/88/664211888.db2.gz UYHYJPGGOKEKLT-KOLCDFICSA-N 1 1 305.400 -1.408 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1C[NH+](CCCO)C1 ZINC000957403851 664211956 /nfs/dbraw/zinc/21/19/56/664211956.db2.gz BPCMZMFZADWBMV-LLVKDONJSA-N 1 1 305.400 -1.407 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1C[NH+](C[C@H](C)O)C1 ZINC000957404907 664212109 /nfs/dbraw/zinc/21/21/09/664212109.db2.gz UYHYJPGGOKEKLT-ONGXEEELSA-N 1 1 305.400 -1.408 20 0 DAADMO O=C(Cn1cncn1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000957575471 664214597 /nfs/dbraw/zinc/21/45/97/664214597.db2.gz BAXPGRUHWALMHZ-ZDUSSCGKSA-N 1 1 319.369 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000957649200 664216154 /nfs/dbraw/zinc/21/61/54/664216154.db2.gz HJNMVMQBPUCNQR-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC000957720849 664216995 /nfs/dbraw/zinc/21/69/95/664216995.db2.gz MDRKQSHQANPAII-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC000957720849 664216999 /nfs/dbraw/zinc/21/69/99/664216999.db2.gz MDRKQSHQANPAII-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+](CC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCC(=O)NC1=O ZINC000957747438 664217049 /nfs/dbraw/zinc/21/70/49/664217049.db2.gz WBEDVEFWUIPRQF-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CCNC3=O)CC2)C1 ZINC000957721012 664217200 /nfs/dbraw/zinc/21/72/00/664217200.db2.gz SDSKAVULLKKPPO-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CCNC3=O)CC2)C1 ZINC000957721012 664217203 /nfs/dbraw/zinc/21/72/03/664217203.db2.gz SDSKAVULLKKPPO-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+](CC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCC(=O)NC1=O ZINC000957747439 664217289 /nfs/dbraw/zinc/21/72/89/664217289.db2.gz WBEDVEFWUIPRQF-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000957792591 664218721 /nfs/dbraw/zinc/21/87/21/664218721.db2.gz CUVYJZPWGCAMID-QWHCGFSZSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000957792591 664218723 /nfs/dbraw/zinc/21/87/23/664218723.db2.gz CUVYJZPWGCAMID-QWHCGFSZSA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC000957797538 664218961 /nfs/dbraw/zinc/21/89/61/664218961.db2.gz JFIUVFCHPJDJOP-NEPJUHHUSA-N 1 1 309.366 -1.046 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC000957794276 664219074 /nfs/dbraw/zinc/21/90/74/664219074.db2.gz RVVCQJFWOYEHJE-PWSUYJOCSA-N 1 1 310.354 -1.987 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC000957835296 664219734 /nfs/dbraw/zinc/21/97/34/664219734.db2.gz UOMPMDRIWBOHDR-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC000957835296 664219737 /nfs/dbraw/zinc/21/97/37/664219737.db2.gz UOMPMDRIWBOHDR-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835631 664219962 /nfs/dbraw/zinc/21/99/62/664219962.db2.gz ZPDWBWITUNGRNR-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835631 664219968 /nfs/dbraw/zinc/21/99/68/664219968.db2.gz ZPDWBWITUNGRNR-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842454 664220291 /nfs/dbraw/zinc/22/02/91/664220291.db2.gz MTUJGZYVPHGMPO-STQMWFEESA-N 1 1 322.365 -1.569 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842454 664220295 /nfs/dbraw/zinc/22/02/95/664220295.db2.gz MTUJGZYVPHGMPO-STQMWFEESA-N 1 1 322.365 -1.569 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000957841957 664220805 /nfs/dbraw/zinc/22/08/05/664220805.db2.gz HARQJHGIDMMXKD-OUAUKWLOSA-N 1 1 321.385 -1.262 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC000957855320 664221125 /nfs/dbraw/zinc/22/11/25/664221125.db2.gz LMLLNIKYGUPUDC-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC000957855318 664221140 /nfs/dbraw/zinc/22/11/40/664221140.db2.gz LMLLNIKYGUPUDC-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855479 664221226 /nfs/dbraw/zinc/22/12/26/664221226.db2.gz OAAUCTCUKBLALF-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855479 664221230 /nfs/dbraw/zinc/22/12/30/664221230.db2.gz OAAUCTCUKBLALF-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC000957878440 664221613 /nfs/dbraw/zinc/22/16/13/664221613.db2.gz MAOMNJJPKKNCDN-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC000957878440 664221615 /nfs/dbraw/zinc/22/16/15/664221615.db2.gz MAOMNJJPKKNCDN-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]n1 ZINC000957884072 664221693 /nfs/dbraw/zinc/22/16/93/664221693.db2.gz ZBKNJNGIBVVKOP-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]n1 ZINC000957884072 664221700 /nfs/dbraw/zinc/22/17/00/664221700.db2.gz ZBKNJNGIBVVKOP-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC000957893924 664222023 /nfs/dbraw/zinc/22/20/23/664222023.db2.gz GIPNYPOFHURPHD-JQWIXIFHSA-N 1 1 322.369 -1.543 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893940 664222088 /nfs/dbraw/zinc/22/20/88/664222088.db2.gz GPHUFIINEPFWTQ-CABZTGNLSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893940 664222092 /nfs/dbraw/zinc/22/20/92/664222092.db2.gz GPHUFIINEPFWTQ-CABZTGNLSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC000957893923 664222169 /nfs/dbraw/zinc/22/21/69/664222169.db2.gz GIPNYPOFHURPHD-CMPLNLGQSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894143 664222289 /nfs/dbraw/zinc/22/22/89/664222289.db2.gz HWSSOVAGHVUZTP-CABZTGNLSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894143 664222291 /nfs/dbraw/zinc/22/22/91/664222291.db2.gz HWSSOVAGHVUZTP-CABZTGNLSA-N 1 1 307.354 -1.289 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC000957893939 664222297 /nfs/dbraw/zinc/22/22/97/664222297.db2.gz GPHUFIINEPFWTQ-BXKDBHETSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC000957893939 664222300 /nfs/dbraw/zinc/22/23/00/664222300.db2.gz GPHUFIINEPFWTQ-BXKDBHETSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c1 ZINC000957890060 664222685 /nfs/dbraw/zinc/22/26/85/664222685.db2.gz IIAQMDQUWHPESX-RYUDHWBXSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894145 664222834 /nfs/dbraw/zinc/22/28/34/664222834.db2.gz HWSSOVAGHVUZTP-SKDRFNHKSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894145 664222838 /nfs/dbraw/zinc/22/28/38/664222838.db2.gz HWSSOVAGHVUZTP-SKDRFNHKSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895559 664223377 /nfs/dbraw/zinc/22/33/77/664223377.db2.gz YMESHGGDHJEGRE-PWSUYJOCSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895559 664223382 /nfs/dbraw/zinc/22/33/82/664223382.db2.gz YMESHGGDHJEGRE-PWSUYJOCSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC000957899104 664223592 /nfs/dbraw/zinc/22/35/92/664223592.db2.gz XAPOFAHDHVXEDJ-NEPJUHHUSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccon1 ZINC000957901467 664223934 /nfs/dbraw/zinc/22/39/34/664223934.db2.gz BWKBOVULZOXCNR-JQWIXIFHSA-N 1 1 306.326 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957905135 664224312 /nfs/dbraw/zinc/22/43/12/664224312.db2.gz DKPCOYFKBMRYQV-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957905135 664224315 /nfs/dbraw/zinc/22/43/15/664224315.db2.gz DKPCOYFKBMRYQV-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccon1 ZINC000957902516 664224532 /nfs/dbraw/zinc/22/45/32/664224532.db2.gz RTVHCDPOFXYAJK-JQWIXIFHSA-N 1 1 323.353 -1.278 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccon1 ZINC000957902514 664224606 /nfs/dbraw/zinc/22/46/06/664224606.db2.gz RTVHCDPOFXYAJK-CMPLNLGQSA-N 1 1 323.353 -1.278 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923103 664225062 /nfs/dbraw/zinc/22/50/62/664225062.db2.gz UCYAAUDAXHSYRJ-WDEREUQCSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923103 664225066 /nfs/dbraw/zinc/22/50/66/664225066.db2.gz UCYAAUDAXHSYRJ-WDEREUQCSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC000957918415 664225323 /nfs/dbraw/zinc/22/53/23/664225323.db2.gz GSUSWXZTDBWXEE-GHMZBOCLSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(F)nc2)[C@H](O)C1 ZINC000957918415 664225325 /nfs/dbraw/zinc/22/53/25/664225325.db2.gz GSUSWXZTDBWXEE-GHMZBOCLSA-N 1 1 310.329 -1.011 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@H+](Cc2cnnn2C)C[C@H]1O ZINC000957923325 664225372 /nfs/dbraw/zinc/22/53/72/664225372.db2.gz XJCOSCRRFSBJRF-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC000957923325 664225374 /nfs/dbraw/zinc/22/53/74/664225374.db2.gz XJCOSCRRFSBJRF-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000957919511 664225393 /nfs/dbraw/zinc/22/53/93/664225393.db2.gz SFQWADMMJCMPRO-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000957919511 664225399 /nfs/dbraw/zinc/22/53/99/664225399.db2.gz SFQWADMMJCMPRO-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC000957913540 664225588 /nfs/dbraw/zinc/22/55/88/664225588.db2.gz AOVDZCVTSRYJQC-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC000957913540 664225590 /nfs/dbraw/zinc/22/55/90/664225590.db2.gz AOVDZCVTSRYJQC-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000957919514 664225619 /nfs/dbraw/zinc/22/56/19/664225619.db2.gz SFQWADMMJCMPRO-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000957919514 664225621 /nfs/dbraw/zinc/22/56/21/664225621.db2.gz SFQWADMMJCMPRO-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914935 664225639 /nfs/dbraw/zinc/22/56/39/664225639.db2.gz OCJTYZMKSKAKIB-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914935 664225641 /nfs/dbraw/zinc/22/56/41/664225641.db2.gz OCJTYZMKSKAKIB-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC000957913543 664225734 /nfs/dbraw/zinc/22/57/34/664225734.db2.gz AOVDZCVTSRYJQC-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC000957913543 664225737 /nfs/dbraw/zinc/22/57/37/664225737.db2.gz AOVDZCVTSRYJQC-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957923324 664225753 /nfs/dbraw/zinc/22/57/53/664225753.db2.gz XJCOSCRRFSBJRF-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C)C1 ZINC000957923324 664225755 /nfs/dbraw/zinc/22/57/55/664225755.db2.gz XJCOSCRRFSBJRF-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923101 664225809 /nfs/dbraw/zinc/22/58/09/664225809.db2.gz UCYAAUDAXHSYRJ-MNOVXSKESA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923101 664225812 /nfs/dbraw/zinc/22/58/12/664225812.db2.gz UCYAAUDAXHSYRJ-MNOVXSKESA-N 1 1 310.329 -1.011 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]1 ZINC000957930079 664226149 /nfs/dbraw/zinc/22/61/49/664226149.db2.gz DOKFNYAFLZGHCM-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]1 ZINC000957930079 664226151 /nfs/dbraw/zinc/22/61/51/664226151.db2.gz DOKFNYAFLZGHCM-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccncc2F)[C@H](O)C1 ZINC000957940326 664226172 /nfs/dbraw/zinc/22/61/72/664226172.db2.gz QQMACEWTAMUFER-BXKDBHETSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccncc2F)[C@H](O)C1 ZINC000957940326 664226174 /nfs/dbraw/zinc/22/61/74/664226174.db2.gz QQMACEWTAMUFER-BXKDBHETSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936772 664226448 /nfs/dbraw/zinc/22/64/48/664226448.db2.gz ZONUIYXJTADNAJ-ONGXEEELSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936772 664226451 /nfs/dbraw/zinc/22/64/51/664226451.db2.gz ZONUIYXJTADNAJ-ONGXEEELSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957938797 664226497 /nfs/dbraw/zinc/22/64/97/664226497.db2.gz BCKIOHJVCHYCCI-IUCAKERBSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957938797 664226499 /nfs/dbraw/zinc/22/64/99/664226499.db2.gz BCKIOHJVCHYCCI-IUCAKERBSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncc2F)C1 ZINC000957940327 664226528 /nfs/dbraw/zinc/22/65/28/664226528.db2.gz QQMACEWTAMUFER-CABZTGNLSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncc2F)C1 ZINC000957940327 664226531 /nfs/dbraw/zinc/22/65/31/664226531.db2.gz QQMACEWTAMUFER-CABZTGNLSA-N 1 1 310.329 -1.011 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957934861 664226580 /nfs/dbraw/zinc/22/65/80/664226580.db2.gz DYQANPZGNYIDLX-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957934861 664226584 /nfs/dbraw/zinc/22/65/84/664226584.db2.gz DYQANPZGNYIDLX-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC000957936536 664226694 /nfs/dbraw/zinc/22/66/94/664226694.db2.gz WOUYETRDPBMQOQ-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)nc2C)[C@H](O)C1 ZINC000957936536 664226700 /nfs/dbraw/zinc/22/67/00/664226700.db2.gz WOUYETRDPBMQOQ-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC000957953672 664227396 /nfs/dbraw/zinc/22/73/96/664227396.db2.gz QFEDCMQVQWGQEZ-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC000957953672 664227401 /nfs/dbraw/zinc/22/74/01/664227401.db2.gz QFEDCMQVQWGQEZ-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958193 664227877 /nfs/dbraw/zinc/22/78/77/664227877.db2.gz UWEUPQPYSKFGDI-WDEREUQCSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958193 664227881 /nfs/dbraw/zinc/22/78/81/664227881.db2.gz UWEUPQPYSKFGDI-WDEREUQCSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978498 664228214 /nfs/dbraw/zinc/22/82/14/664228214.db2.gz DNUGKQJHVVZRIH-DTWKUNHWSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978498 664228218 /nfs/dbraw/zinc/22/82/18/664228218.db2.gz DNUGKQJHVVZRIH-DTWKUNHWSA-N 1 1 312.326 -1.548 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)c1 ZINC000957983220 664228224 /nfs/dbraw/zinc/22/82/24/664228224.db2.gz RPDAEMIGFWUEEX-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)c1 ZINC000957983220 664228228 /nfs/dbraw/zinc/22/82/28/664228228.db2.gz RPDAEMIGFWUEEX-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983015 664228386 /nfs/dbraw/zinc/22/83/86/664228386.db2.gz PQNABMGJNCBRSO-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983015 664228391 /nfs/dbraw/zinc/22/83/91/664228391.db2.gz PQNABMGJNCBRSO-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978499 664228471 /nfs/dbraw/zinc/22/84/71/664228471.db2.gz DNUGKQJHVVZRIH-IUCAKERBSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978499 664228474 /nfs/dbraw/zinc/22/84/74/664228474.db2.gz DNUGKQJHVVZRIH-IUCAKERBSA-N 1 1 312.326 -1.548 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC000957982439 664228617 /nfs/dbraw/zinc/22/86/17/664228617.db2.gz MDKTXLIDRFAATN-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC000957982439 664228619 /nfs/dbraw/zinc/22/86/19/664228619.db2.gz MDKTXLIDRFAATN-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)c1 ZINC000957983222 664228630 /nfs/dbraw/zinc/22/86/30/664228630.db2.gz RPDAEMIGFWUEEX-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)c1 ZINC000957983222 664228632 /nfs/dbraw/zinc/22/86/32/664228632.db2.gz RPDAEMIGFWUEEX-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983014 664228659 /nfs/dbraw/zinc/22/86/59/664228659.db2.gz PQNABMGJNCBRSO-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983014 664228660 /nfs/dbraw/zinc/22/86/60/664228660.db2.gz PQNABMGJNCBRSO-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)c1 ZINC000957983225 664228801 /nfs/dbraw/zinc/22/88/01/664228801.db2.gz RPDAEMIGFWUEEX-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)c1 ZINC000957983225 664228804 /nfs/dbraw/zinc/22/88/04/664228804.db2.gz RPDAEMIGFWUEEX-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@H]21 ZINC000957996066 664229187 /nfs/dbraw/zinc/22/91/87/664229187.db2.gz KXCYDGPHWKIQEY-IMRBUKKESA-N 1 1 308.382 -1.223 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957997419 664229229 /nfs/dbraw/zinc/22/92/29/664229229.db2.gz YFSFCXQFRCPSES-MWLCHTKSSA-N 1 1 324.385 -1.887 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957997419 664229232 /nfs/dbraw/zinc/22/92/32/664229232.db2.gz YFSFCXQFRCPSES-MWLCHTKSSA-N 1 1 324.385 -1.887 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995790 664229454 /nfs/dbraw/zinc/22/94/54/664229454.db2.gz PBHNBFFNVPBJST-QWHCGFSZSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995790 664229457 /nfs/dbraw/zinc/22/94/57/664229457.db2.gz PBHNBFFNVPBJST-QWHCGFSZSA-N 1 1 319.365 -1.269 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](O)C1 ZINC000957992557 664229555 /nfs/dbraw/zinc/22/95/55/664229555.db2.gz XRZAERHUIMOUIV-MWLCHTKSSA-N 1 1 308.338 -1.444 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990440 664229651 /nfs/dbraw/zinc/22/96/51/664229651.db2.gz MVSWQZXSRXWRME-STQMWFEESA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990440 664229655 /nfs/dbraw/zinc/22/96/55/664229655.db2.gz MVSWQZXSRXWRME-STQMWFEESA-N 1 1 311.382 -1.170 20 0 DAADMO CCn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958004636 664230158 /nfs/dbraw/zinc/23/01/58/664230158.db2.gz HIBSKLPGWUKAPU-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958004636 664230161 /nfs/dbraw/zinc/23/01/61/664230161.db2.gz HIBSKLPGWUKAPU-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC000958011371 664230183 /nfs/dbraw/zinc/23/01/83/664230183.db2.gz XHTLCQVXAQGMEW-VXGBXAGGSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnnc(C)c2)[C@H](O)C1 ZINC000958011371 664230185 /nfs/dbraw/zinc/23/01/85/664230185.db2.gz XHTLCQVXAQGMEW-VXGBXAGGSA-N 1 1 307.354 -1.446 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C[C@H]21 ZINC000958001050 664230200 /nfs/dbraw/zinc/23/02/00/664230200.db2.gz CYCAJBLQUFKQSL-NMKXLXIOSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C(N)=O)C3)C[C@H]21 ZINC000958001050 664230203 /nfs/dbraw/zinc/23/02/03/664230203.db2.gz CYCAJBLQUFKQSL-NMKXLXIOSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1)N1CCNC(=O)C1 ZINC000958018426 664230488 /nfs/dbraw/zinc/23/04/88/664230488.db2.gz OBVWQOQYUSHYOX-JYAVWHMHSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1)N1CCNC(=O)C1 ZINC000958018426 664230492 /nfs/dbraw/zinc/23/04/92/664230492.db2.gz OBVWQOQYUSHYOX-JYAVWHMHSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015543 664230543 /nfs/dbraw/zinc/23/05/43/664230543.db2.gz LUBIDWDRPVYVKG-JQWIXIFHSA-N 1 1 312.370 -2.380 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015543 664230545 /nfs/dbraw/zinc/23/05/45/664230545.db2.gz LUBIDWDRPVYVKG-JQWIXIFHSA-N 1 1 312.370 -2.380 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001099 664230610 /nfs/dbraw/zinc/23/06/10/664230610.db2.gz YXWWXJXTTFZDND-DTWKUNHWSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001099 664230612 /nfs/dbraw/zinc/23/06/12/664230612.db2.gz YXWWXJXTTFZDND-DTWKUNHWSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001100 664230641 /nfs/dbraw/zinc/23/06/41/664230641.db2.gz YXWWXJXTTFZDND-IUCAKERBSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001100 664230646 /nfs/dbraw/zinc/23/06/46/664230646.db2.gz YXWWXJXTTFZDND-IUCAKERBSA-N 1 1 312.326 -2.253 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958019806 664231208 /nfs/dbraw/zinc/23/12/08/664231208.db2.gz FTYJYTRVPXWDCD-JQWIXIFHSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958019806 664231213 /nfs/dbraw/zinc/23/12/13/664231213.db2.gz FTYJYTRVPXWDCD-JQWIXIFHSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958024489 664231253 /nfs/dbraw/zinc/23/12/53/664231253.db2.gz FCRFJBPAEYHFDO-QWRGUYRKSA-N 1 1 320.357 -1.871 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958020415 664231337 /nfs/dbraw/zinc/23/13/37/664231337.db2.gz OVJKDSNPSQREQA-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958020415 664231339 /nfs/dbraw/zinc/23/13/39/664231339.db2.gz OVJKDSNPSQREQA-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC000958022637 664231353 /nfs/dbraw/zinc/23/13/53/664231353.db2.gz GYJIMDNMYXGUTP-FJJYHAOUSA-N 1 1 321.377 -1.047 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3cnnn3C)C2)cn1 ZINC000958035142 664231650 /nfs/dbraw/zinc/23/16/50/664231650.db2.gz ABMGIVNVPYZPGR-AAEUAGOBSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)nn1 ZINC000958035274 664231748 /nfs/dbraw/zinc/23/17/48/664231748.db2.gz CGILXCAFWSWWRR-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)nn1 ZINC000958035274 664231751 /nfs/dbraw/zinc/23/17/51/664231751.db2.gz CGILXCAFWSWWRR-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958025115 664232193 /nfs/dbraw/zinc/23/21/93/664232193.db2.gz NKNBEFFTQLZUEG-NEPJUHHUSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958035676 664232725 /nfs/dbraw/zinc/23/27/25/664232725.db2.gz JFTHTUYLKOUPCU-PWSUYJOCSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC000958035889 664232790 /nfs/dbraw/zinc/23/27/90/664232790.db2.gz KPPAQXGFGHSBJJ-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC000958035889 664232793 /nfs/dbraw/zinc/23/27/93/664232793.db2.gz KPPAQXGFGHSBJJ-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2O)nn1 ZINC000958036529 664232863 /nfs/dbraw/zinc/23/28/63/664232863.db2.gz QQMBTIHLLDJIRG-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2O)nn1 ZINC000958036529 664232867 /nfs/dbraw/zinc/23/28/67/664232867.db2.gz QQMBTIHLLDJIRG-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958035677 664233213 /nfs/dbraw/zinc/23/32/13/664233213.db2.gz JFTHTUYLKOUPCU-ZYHUDNBSSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC000958036843 664233580 /nfs/dbraw/zinc/23/35/80/664233580.db2.gz VHJGSXNXVBWFOU-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC000958036843 664233585 /nfs/dbraw/zinc/23/35/85/664233585.db2.gz VHJGSXNXVBWFOU-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958047162 664233759 /nfs/dbraw/zinc/23/37/59/664233759.db2.gz QHGOSONUYOURKE-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958047162 664233761 /nfs/dbraw/zinc/23/37/61/664233761.db2.gz QHGOSONUYOURKE-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](CNC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC000958036891 664233828 /nfs/dbraw/zinc/23/38/28/664233828.db2.gz WBCBLZVKJCAPRP-DGCLKSJQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](CNC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC000958036891 664233833 /nfs/dbraw/zinc/23/38/33/664233833.db2.gz WBCBLZVKJCAPRP-DGCLKSJQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958040593 664233950 /nfs/dbraw/zinc/23/39/50/664233950.db2.gz DTXHXYFXJNCMQA-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958040593 664233956 /nfs/dbraw/zinc/23/39/56/664233956.db2.gz DTXHXYFXJNCMQA-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC000958036691 664234014 /nfs/dbraw/zinc/23/40/14/664234014.db2.gz SKUYJEWJJBYLFJ-JQWIXIFHSA-N 1 1 320.357 -1.871 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958037046 664234070 /nfs/dbraw/zinc/23/40/70/664234070.db2.gz YVOGYGNZCCGVQP-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958037046 664234072 /nfs/dbraw/zinc/23/40/72/664234072.db2.gz YVOGYGNZCCGVQP-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958041322 664234124 /nfs/dbraw/zinc/23/41/24/664234124.db2.gz LJYLRVKTQNYRHE-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958041322 664234129 /nfs/dbraw/zinc/23/41/29/664234129.db2.gz LJYLRVKTQNYRHE-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC000958062166 664234706 /nfs/dbraw/zinc/23/47/06/664234706.db2.gz DOUVDQBIYKKUDI-MWLCHTKSSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1 ZINC000958062166 664234710 /nfs/dbraw/zinc/23/47/10/664234710.db2.gz DOUVDQBIYKKUDI-MWLCHTKSSA-N 1 1 305.342 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063801 664234762 /nfs/dbraw/zinc/23/47/62/664234762.db2.gz PFBKWLTZVBNGKN-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063801 664234768 /nfs/dbraw/zinc/23/47/68/664234768.db2.gz PFBKWLTZVBNGKN-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063800 664235360 /nfs/dbraw/zinc/23/53/60/664235360.db2.gz PFBKWLTZVBNGKN-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063800 664235365 /nfs/dbraw/zinc/23/53/65/664235365.db2.gz PFBKWLTZVBNGKN-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081607 664235732 /nfs/dbraw/zinc/23/57/32/664235732.db2.gz QTOPNEMNQVBLBV-KCJUWKMLSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081607 664235733 /nfs/dbraw/zinc/23/57/33/664235733.db2.gz QTOPNEMNQVBLBV-KCJUWKMLSA-N 1 1 318.337 -1.534 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073972 664235813 /nfs/dbraw/zinc/23/58/13/664235813.db2.gz OTAQRNLBXFVHKB-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073972 664235816 /nfs/dbraw/zinc/23/58/16/664235816.db2.gz OTAQRNLBXFVHKB-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076881 664235824 /nfs/dbraw/zinc/23/58/24/664235824.db2.gz MKHPKFRZLSGNBJ-GXSJLCMTSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076881 664235827 /nfs/dbraw/zinc/23/58/27/664235827.db2.gz MKHPKFRZLSGNBJ-GXSJLCMTSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncc3[nH]cnc32)[C@H](O)C1 ZINC000958081609 664235909 /nfs/dbraw/zinc/23/59/09/664235909.db2.gz QTOPNEMNQVBLBV-LDYMZIIASA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncc3[nH]cnc32)[C@H](O)C1 ZINC000958081609 664235915 /nfs/dbraw/zinc/23/59/15/664235915.db2.gz QTOPNEMNQVBLBV-LDYMZIIASA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC000958076883 664236059 /nfs/dbraw/zinc/23/60/59/664236059.db2.gz MKHPKFRZLSGNBJ-MWLCHTKSSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC000958076883 664236063 /nfs/dbraw/zinc/23/60/63/664236063.db2.gz MKHPKFRZLSGNBJ-MWLCHTKSSA-N 1 1 307.354 -1.663 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078118 664236071 /nfs/dbraw/zinc/23/60/71/664236071.db2.gz ZPZZCYWXJWMJEY-CMPLNLGQSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078118 664236074 /nfs/dbraw/zinc/23/60/74/664236074.db2.gz ZPZZCYWXJWMJEY-CMPLNLGQSA-N 1 1 321.381 -1.402 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958070297 664236278 /nfs/dbraw/zinc/23/62/78/664236278.db2.gz ZQJKZWBOAAPDSG-KOLCDFICSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958070297 664236280 /nfs/dbraw/zinc/23/62/80/664236280.db2.gz ZQJKZWBOAAPDSG-KOLCDFICSA-N 1 1 322.369 -1.950 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)sn1 ZINC000958076869 664236340 /nfs/dbraw/zinc/23/63/40/664236340.db2.gz MGJHPKHGWYBNTH-HTQZYQBOSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)sn1 ZINC000958076869 664236347 /nfs/dbraw/zinc/23/63/47/664236347.db2.gz MGJHPKHGWYBNTH-HTQZYQBOSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)sn1 ZINC000958076870 664236413 /nfs/dbraw/zinc/23/64/13/664236413.db2.gz MGJHPKHGWYBNTH-JGVFFNPUSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)sn1 ZINC000958076870 664236417 /nfs/dbraw/zinc/23/64/17/664236417.db2.gz MGJHPKHGWYBNTH-JGVFFNPUSA-N 1 1 314.367 -1.341 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958096116 664236549 /nfs/dbraw/zinc/23/65/49/664236549.db2.gz IEJQZIWQGDUARB-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958096116 664236553 /nfs/dbraw/zinc/23/65/53/664236553.db2.gz IEJQZIWQGDUARB-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO COCC[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC000958095844 664236621 /nfs/dbraw/zinc/23/66/21/664236621.db2.gz CPODPNNTXYFZIA-MWLCHTKSSA-N 1 1 306.384 -1.914 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC000958095844 664236623 /nfs/dbraw/zinc/23/66/23/664236623.db2.gz CPODPNNTXYFZIA-MWLCHTKSSA-N 1 1 306.384 -1.914 20 0 DAADMO COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095843 664236702 /nfs/dbraw/zinc/23/67/02/664236702.db2.gz CPODPNNTXYFZIA-KOLCDFICSA-N 1 1 306.384 -1.914 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095843 664236705 /nfs/dbraw/zinc/23/67/05/664236705.db2.gz CPODPNNTXYFZIA-KOLCDFICSA-N 1 1 306.384 -1.914 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958092689 664236797 /nfs/dbraw/zinc/23/67/97/664236797.db2.gz WWNDMHIKSNTYIC-JQWIXIFHSA-N 1 1 320.353 -1.207 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cccn2nnnc12 ZINC000958091448 664236939 /nfs/dbraw/zinc/23/69/39/664236939.db2.gz GXGAJYPFLWUMRF-PWSUYJOCSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cccn2nnnc12 ZINC000958091447 664237240 /nfs/dbraw/zinc/23/72/40/664237240.db2.gz GXGAJYPFLWUMRF-JQWIXIFHSA-N 1 1 320.353 -1.471 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090691 664237296 /nfs/dbraw/zinc/23/72/96/664237296.db2.gz BHTCXTFGOCHUOG-WPRPVWTQSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090691 664237300 /nfs/dbraw/zinc/23/73/00/664237300.db2.gz BHTCXTFGOCHUOG-WPRPVWTQSA-N 1 1 319.325 -2.368 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085821 664237330 /nfs/dbraw/zinc/23/73/30/664237330.db2.gz KNBHLAVVTRYGCC-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085821 664237332 /nfs/dbraw/zinc/23/73/32/664237332.db2.gz KNBHLAVVTRYGCC-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cccn3nnnc23)[C@H](O)C1 ZINC000958092691 664237349 /nfs/dbraw/zinc/23/73/49/664237349.db2.gz WWNDMHIKSNTYIC-ZYHUDNBSSA-N 1 1 320.353 -1.207 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C2CC2)n1 ZINC000958101529 664237525 /nfs/dbraw/zinc/23/75/25/664237525.db2.gz SMVURMKETSVKOT-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C2CC2)n1 ZINC000958101529 664237528 /nfs/dbraw/zinc/23/75/28/664237528.db2.gz SMVURMKETSVKOT-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121916 664237553 /nfs/dbraw/zinc/23/75/53/664237553.db2.gz NHZNTCDXSPZNMD-SKDRFNHKSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121916 664237556 /nfs/dbraw/zinc/23/75/56/664237556.db2.gz NHZNTCDXSPZNMD-SKDRFNHKSA-N 1 1 307.354 -1.663 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958101576 664237731 /nfs/dbraw/zinc/23/77/31/664237731.db2.gz UBLMCOXJGQQWDK-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958101576 664237733 /nfs/dbraw/zinc/23/77/33/664237733.db2.gz UBLMCOXJGQQWDK-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958120939 664237784 /nfs/dbraw/zinc/23/77/84/664237784.db2.gz CGWWZIGTMAFGML-KOLCDFICSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958120939 664237787 /nfs/dbraw/zinc/23/77/87/664237787.db2.gz CGWWZIGTMAFGML-KOLCDFICSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958121258 664237815 /nfs/dbraw/zinc/23/78/15/664237815.db2.gz FHYZZLBIWNBIMH-PWSUYJOCSA-N 1 1 310.354 -1.192 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117988 664237860 /nfs/dbraw/zinc/23/78/60/664237860.db2.gz XSGHSPXKQJFLGK-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117988 664237863 /nfs/dbraw/zinc/23/78/63/664237863.db2.gz XSGHSPXKQJFLGK-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn2c1OCCC2 ZINC000958122156 664237918 /nfs/dbraw/zinc/23/79/18/664237918.db2.gz QSFLZJKNOKREKW-VXGBXAGGSA-N 1 1 324.381 -1.011 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122324 664238351 /nfs/dbraw/zinc/23/83/51/664238351.db2.gz UDLVKMPHXCVJDB-LDYMZIIASA-N 1 1 306.326 -1.632 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC000958134888 664238357 /nfs/dbraw/zinc/23/83/57/664238357.db2.gz IPLCVXIHNKCNIN-ZYHUDNBSSA-N 1 1 310.354 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135981 664238485 /nfs/dbraw/zinc/23/84/85/664238485.db2.gz WVLOOLDKYDTCLR-KOLCDFICSA-N 1 1 323.353 -1.956 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135981 664238489 /nfs/dbraw/zinc/23/84/89/664238489.db2.gz WVLOOLDKYDTCLR-KOLCDFICSA-N 1 1 323.353 -1.956 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958126632 664238535 /nfs/dbraw/zinc/23/85/35/664238535.db2.gz RSSIMWQLGPSEFM-YUMQZZPRSA-N 1 1 315.761 -1.121 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958126632 664238541 /nfs/dbraw/zinc/23/85/41/664238541.db2.gz RSSIMWQLGPSEFM-YUMQZZPRSA-N 1 1 315.761 -1.121 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC000958134078 664238642 /nfs/dbraw/zinc/23/86/42/664238642.db2.gz AWSONYRWJAHUSH-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134463 664238653 /nfs/dbraw/zinc/23/86/53/664238653.db2.gz DLLRMSMBKJMCOX-WCBMZHEXSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134463 664238657 /nfs/dbraw/zinc/23/86/57/664238657.db2.gz DLLRMSMBKJMCOX-WCBMZHEXSA-N 1 1 309.326 -2.217 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958135646 664238665 /nfs/dbraw/zinc/23/86/65/664238665.db2.gz QHXCXSROOWVKSS-QWRGUYRKSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958135646 664238667 /nfs/dbraw/zinc/23/86/67/664238667.db2.gz QHXCXSROOWVKSS-QWRGUYRKSA-N 1 1 324.385 -1.625 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2ncccc12 ZINC000958140313 664238694 /nfs/dbraw/zinc/23/86/94/664238694.db2.gz RGGXGZJPOKDGTP-GXFFZTMASA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958126629 664238824 /nfs/dbraw/zinc/23/88/24/664238824.db2.gz RSSIMWQLGPSEFM-HTQZYQBOSA-N 1 1 315.761 -1.121 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958126629 664238829 /nfs/dbraw/zinc/23/88/29/664238829.db2.gz RSSIMWQLGPSEFM-HTQZYQBOSA-N 1 1 315.761 -1.121 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2ncccc12 ZINC000958140314 664238886 /nfs/dbraw/zinc/23/88/86/664238886.db2.gz RGGXGZJPOKDGTP-MFKMUULPSA-N 1 1 305.338 -1.256 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135983 664238899 /nfs/dbraw/zinc/23/88/99/664238899.db2.gz WVLOOLDKYDTCLR-ONGXEEELSA-N 1 1 323.353 -1.956 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135983 664238900 /nfs/dbraw/zinc/23/89/00/664238900.db2.gz WVLOOLDKYDTCLR-ONGXEEELSA-N 1 1 323.353 -1.956 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125718 664239152 /nfs/dbraw/zinc/23/91/52/664239152.db2.gz AUVVCBFQWDMENA-CABZTGNLSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125718 664239157 /nfs/dbraw/zinc/23/91/57/664239157.db2.gz AUVVCBFQWDMENA-CABZTGNLSA-N 1 1 307.354 -1.663 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2ccncc12 ZINC000958145293 664239350 /nfs/dbraw/zinc/23/93/50/664239350.db2.gz JEMNLBOQBCGUKA-ZWNOBZJWSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC000958149606 664239916 /nfs/dbraw/zinc/23/99/16/664239916.db2.gz UMYCQLSYGJVVOO-JQWIXIFHSA-N 1 1 320.353 -1.242 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC000958150218 664240299 /nfs/dbraw/zinc/24/02/99/664240299.db2.gz ZYXJVBBPTNTXCQ-KOLCDFICSA-N 1 1 306.326 -1.632 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155247 664240345 /nfs/dbraw/zinc/24/03/45/664240345.db2.gz BJXZMMQBWXJALV-GXSJLCMTSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155247 664240348 /nfs/dbraw/zinc/24/03/48/664240348.db2.gz BJXZMMQBWXJALV-GXSJLCMTSA-N 1 1 307.354 -1.663 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC000958150219 664240637 /nfs/dbraw/zinc/24/06/37/664240637.db2.gz ZYXJVBBPTNTXCQ-MWLCHTKSSA-N 1 1 306.326 -1.632 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168857 664240779 /nfs/dbraw/zinc/24/07/79/664240779.db2.gz YWXKTIRNSDQXDM-KOLCDFICSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168857 664240781 /nfs/dbraw/zinc/24/07/81/664240781.db2.gz YWXKTIRNSDQXDM-KOLCDFICSA-N 1 1 323.353 -1.707 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[n+]([O-])cc1 ZINC000958165010 664240860 /nfs/dbraw/zinc/24/08/60/664240860.db2.gz NQESXJUCXHUOSE-XQHKEYJVSA-N 1 1 302.334 -1.132 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958164389 664241030 /nfs/dbraw/zinc/24/10/30/664241030.db2.gz LDPDDDHQQHIPNV-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958164389 664241036 /nfs/dbraw/zinc/24/10/36/664241036.db2.gz LDPDDDHQQHIPNV-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168859 664241175 /nfs/dbraw/zinc/24/11/75/664241175.db2.gz YWXKTIRNSDQXDM-ONGXEEELSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168859 664241176 /nfs/dbraw/zinc/24/11/76/664241176.db2.gz YWXKTIRNSDQXDM-ONGXEEELSA-N 1 1 323.353 -1.707 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157252 664241210 /nfs/dbraw/zinc/24/12/10/664241210.db2.gz MUSJQOWHGNSCNV-UWVGGRQHSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157252 664241211 /nfs/dbraw/zinc/24/12/11/664241211.db2.gz MUSJQOWHGNSCNV-UWVGGRQHSA-N 1 1 309.326 -2.049 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCCC3)[C@H](O)C1 ZINC000958160693 664241239 /nfs/dbraw/zinc/24/12/39/664241239.db2.gz DQZODADJNWHBBL-ZWNOBZJWSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCCC3)[C@H](O)C1 ZINC000958160693 664241242 /nfs/dbraw/zinc/24/12/42/664241242.db2.gz DQZODADJNWHBBL-ZWNOBZJWSA-N 1 1 321.381 -1.273 20 0 DAADMO COCc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958156917 664241272 /nfs/dbraw/zinc/24/12/72/664241272.db2.gz KOILXRMVVJOEEF-CHWSQXEVSA-N 1 1 322.365 -1.264 20 0 DAADMO COCc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958156917 664241277 /nfs/dbraw/zinc/24/12/77/664241277.db2.gz KOILXRMVVJOEEF-CHWSQXEVSA-N 1 1 322.365 -1.264 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167741 664241298 /nfs/dbraw/zinc/24/12/98/664241298.db2.gz OUZAWPZFLRCPRG-SCZZXKLOSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167741 664241302 /nfs/dbraw/zinc/24/13/02/664241302.db2.gz OUZAWPZFLRCPRG-SCZZXKLOSA-N 1 1 309.326 -2.049 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[n+]([O-])cc1 ZINC000958165008 664241339 /nfs/dbraw/zinc/24/13/39/664241339.db2.gz NQESXJUCXHUOSE-QNWHQSFQSA-N 1 1 302.334 -1.132 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155759 664241405 /nfs/dbraw/zinc/24/14/05/664241405.db2.gz DNXSZPRUIBPTDR-MNOVXSKESA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155759 664241408 /nfs/dbraw/zinc/24/14/08/664241408.db2.gz DNXSZPRUIBPTDR-MNOVXSKESA-N 1 1 323.353 -1.707 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160690 664241524 /nfs/dbraw/zinc/24/15/24/664241524.db2.gz DQZODADJNWHBBL-GWCFXTLKSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160690 664241526 /nfs/dbraw/zinc/24/15/26/664241526.db2.gz DQZODADJNWHBBL-GWCFXTLKSA-N 1 1 321.381 -1.273 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958164391 664241544 /nfs/dbraw/zinc/24/15/44/664241544.db2.gz LDPDDDHQQHIPNV-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958164391 664241546 /nfs/dbraw/zinc/24/15/46/664241546.db2.gz LDPDDDHQQHIPNV-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178996 664241719 /nfs/dbraw/zinc/24/17/19/664241719.db2.gz FQLPPOMVRWMOCI-XCBNKYQSSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178996 664241723 /nfs/dbraw/zinc/24/17/23/664241723.db2.gz FQLPPOMVRWMOCI-XCBNKYQSSA-N 1 1 314.292 -1.132 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958179157 664241849 /nfs/dbraw/zinc/24/18/49/664241849.db2.gz IXAAYFQKAGSVOM-ZYHUDNBSSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958179157 664241853 /nfs/dbraw/zinc/24/18/53/664241853.db2.gz IXAAYFQKAGSVOM-ZYHUDNBSSA-N 1 1 322.365 -1.094 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 ZINC000958178908 664241913 /nfs/dbraw/zinc/24/19/13/664241913.db2.gz CYLRIULROHZPGD-MWLCHTKSSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3c(n2)COCC3)[C@H](O)C1 ZINC000958178908 664241917 /nfs/dbraw/zinc/24/19/17/664241917.db2.gz CYLRIULROHZPGD-MWLCHTKSSA-N 1 1 323.353 -2.079 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]c1C ZINC000958179092 664241923 /nfs/dbraw/zinc/24/19/23/664241923.db2.gz HJXBWOGEPRAFDQ-VHSXEESVSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]c1C ZINC000958179092 664241926 /nfs/dbraw/zinc/24/19/26/664241926.db2.gz HJXBWOGEPRAFDQ-VHSXEESVSA-N 1 1 323.353 -1.693 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178906 664241966 /nfs/dbraw/zinc/24/19/66/664241966.db2.gz CYLRIULROHZPGD-GXSJLCMTSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178906 664241968 /nfs/dbraw/zinc/24/19/68/664241968.db2.gz CYLRIULROHZPGD-GXSJLCMTSA-N 1 1 323.353 -2.079 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n[nH]cc2c1 ZINC000958174670 664242180 /nfs/dbraw/zinc/24/21/80/664242180.db2.gz GOKGSFWNURPQKY-RYUDHWBXSA-N 1 1 305.338 -1.027 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179575 664242240 /nfs/dbraw/zinc/24/22/40/664242240.db2.gz OZSILHVRHFGLSZ-MNOVXSKESA-N 1 1 310.354 -1.186 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958174514 664242314 /nfs/dbraw/zinc/24/23/14/664242314.db2.gz FQQOQCHLYRTDNW-WCBMZHEXSA-N 1 1 311.342 -1.684 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958174514 664242316 /nfs/dbraw/zinc/24/23/16/664242316.db2.gz FQQOQCHLYRTDNW-WCBMZHEXSA-N 1 1 311.342 -1.684 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176839 664242323 /nfs/dbraw/zinc/24/23/23/664242323.db2.gz ZGVDQVOWSZUYKW-MNOVXSKESA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176839 664242325 /nfs/dbraw/zinc/24/23/25/664242325.db2.gz ZGVDQVOWSZUYKW-MNOVXSKESA-N 1 1 318.337 -1.534 20 0 DAADMO COCCn1nccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958172143 664242342 /nfs/dbraw/zinc/24/23/42/664242342.db2.gz QDFIPWKPOCUKCQ-WCQYABFASA-N 1 1 312.370 -1.456 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958184586 664243145 /nfs/dbraw/zinc/24/31/45/664243145.db2.gz DMCFPDBEOWMTCU-IAZYJMLFSA-N 1 1 303.330 -1.989 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191054 664243392 /nfs/dbraw/zinc/24/33/92/664243392.db2.gz RVMLVKYRIQATNX-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191054 664243395 /nfs/dbraw/zinc/24/33/95/664243395.db2.gz RVMLVKYRIQATNX-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)cn1 ZINC000958184830 664243506 /nfs/dbraw/zinc/24/35/06/664243506.db2.gz IAFQTLIXMACXKH-SRRSOLGSSA-N 1 1 317.349 -1.115 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958195948 664243776 /nfs/dbraw/zinc/24/37/76/664243776.db2.gz MUITULDIYGYUIH-ZWNOBZJWSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958195948 664243779 /nfs/dbraw/zinc/24/37/79/664243779.db2.gz MUITULDIYGYUIH-ZWNOBZJWSA-N 1 1 321.381 -1.145 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958199962 664243883 /nfs/dbraw/zinc/24/38/83/664243883.db2.gz DVQXOQLGFUEGCR-GOONRYMUSA-N 1 1 319.369 -1.613 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195653 664243898 /nfs/dbraw/zinc/24/38/98/664243898.db2.gz INYCMJHSUWIHQT-GXSJLCMTSA-N 1 1 313.333 -1.640 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195653 664243901 /nfs/dbraw/zinc/24/39/01/664243901.db2.gz INYCMJHSUWIHQT-GXSJLCMTSA-N 1 1 313.333 -1.640 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958201208 664243910 /nfs/dbraw/zinc/24/39/10/664243910.db2.gz SPQWKAMECURCPB-ATCWAGBWSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958201208 664243913 /nfs/dbraw/zinc/24/39/13/664243913.db2.gz SPQWKAMECURCPB-ATCWAGBWSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958200725 664244017 /nfs/dbraw/zinc/24/40/17/664244017.db2.gz MUSVGZHDEIHJMP-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958202136 664244341 /nfs/dbraw/zinc/24/43/41/664244341.db2.gz ADUHCEUPJLBPTG-VXGBXAGGSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958202136 664244342 /nfs/dbraw/zinc/24/43/42/664244342.db2.gz ADUHCEUPJLBPTG-VXGBXAGGSA-N 1 1 321.381 -1.345 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958200090 664244352 /nfs/dbraw/zinc/24/43/52/664244352.db2.gz FYUTWYPJGBWIBJ-DEKYYXRVSA-N 1 1 306.366 -1.456 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205710 664245020 /nfs/dbraw/zinc/24/50/20/664245020.db2.gz DBCQYLAJPYNLHD-JOYOIKCWSA-N 1 1 321.381 -1.204 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205710 664245021 /nfs/dbraw/zinc/24/50/21/664245021.db2.gz DBCQYLAJPYNLHD-JOYOIKCWSA-N 1 1 321.381 -1.204 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958203761 664245477 /nfs/dbraw/zinc/24/54/77/664245477.db2.gz UTFBDCWDXZUKMX-CABZTGNLSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958203761 664245483 /nfs/dbraw/zinc/24/54/83/664245483.db2.gz UTFBDCWDXZUKMX-CABZTGNLSA-N 1 1 309.370 -1.259 20 0 DAADMO CCCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958209896 664246285 /nfs/dbraw/zinc/24/62/85/664246285.db2.gz DOUSLZIUNKXUGX-ZWNOBZJWSA-N 1 1 323.397 -1.120 20 0 DAADMO CCCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958209896 664246287 /nfs/dbraw/zinc/24/62/87/664246287.db2.gz DOUSLZIUNKXUGX-ZWNOBZJWSA-N 1 1 323.397 -1.120 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC000958214925 664247641 /nfs/dbraw/zinc/24/76/41/664247641.db2.gz OPZYVSAGTJQPJS-SKDRFNHKSA-N 1 1 320.349 -1.409 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958220490 664247707 /nfs/dbraw/zinc/24/77/07/664247707.db2.gz ZCVKNZLIXIMOAN-AAEUAGOBSA-N 1 1 324.381 -1.471 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958218202 664247717 /nfs/dbraw/zinc/24/77/17/664247717.db2.gz BCIUWDSKNBDOKJ-JQWIXIFHSA-N 1 1 310.354 -1.861 20 0 DAADMO CCOc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958220458 664247812 /nfs/dbraw/zinc/24/78/12/664247812.db2.gz YTHMXKTWJWZZAL-PSASIEDQSA-N 1 1 312.326 -1.419 20 0 DAADMO CCOc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958220458 664247816 /nfs/dbraw/zinc/24/78/16/664247816.db2.gz YTHMXKTWJWZZAL-PSASIEDQSA-N 1 1 312.326 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219773 664248052 /nfs/dbraw/zinc/24/80/52/664248052.db2.gz NHBKBEZYLSXJKF-ONGXEEELSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2OCCC3)C1 ZINC000958219773 664248054 /nfs/dbraw/zinc/24/80/54/664248054.db2.gz NHBKBEZYLSXJKF-ONGXEEELSA-N 1 1 323.353 -1.827 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958218204 664248279 /nfs/dbraw/zinc/24/82/79/664248279.db2.gz BCIUWDSKNBDOKJ-ZYHUDNBSSA-N 1 1 310.354 -1.861 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn2cccnc2n1 ZINC000958215181 664248324 /nfs/dbraw/zinc/24/83/24/664248324.db2.gz UEBKPILBEXBELX-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2c1OCCC2 ZINC000958220512 664248361 /nfs/dbraw/zinc/24/83/61/664248361.db2.gz ZJTZKHLMFBZPMQ-PWSUYJOCSA-N 1 1 310.354 -1.320 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958234864 664248804 /nfs/dbraw/zinc/24/88/04/664248804.db2.gz BRDVCADGMSKFPD-MNOVXSKESA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958234864 664248805 /nfs/dbraw/zinc/24/88/05/664248805.db2.gz BRDVCADGMSKFPD-MNOVXSKESA-N 1 1 308.338 -1.402 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc2ncnn21 ZINC000958229062 664248834 /nfs/dbraw/zinc/24/88/34/664248834.db2.gz XLWSMDRTFBTMMP-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958224788 664249031 /nfs/dbraw/zinc/24/90/31/664249031.db2.gz YBTXFQOJTRELIM-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958224788 664249033 /nfs/dbraw/zinc/24/90/33/664249033.db2.gz YBTXFQOJTRELIM-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958224787 664249240 /nfs/dbraw/zinc/24/92/40/664249240.db2.gz YBTXFQOJTRELIM-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958224787 664249242 /nfs/dbraw/zinc/24/92/42/664249242.db2.gz YBTXFQOJTRELIM-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958228686 664249360 /nfs/dbraw/zinc/24/93/60/664249360.db2.gz RVGJFLKGXMHYBC-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 ZINC000958228089 664249629 /nfs/dbraw/zinc/24/96/29/664249629.db2.gz LLHHUPXRZQVORZ-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncn2C)C1 ZINC000958228089 664249632 /nfs/dbraw/zinc/24/96/32/664249632.db2.gz LLHHUPXRZQVORZ-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240204 664249848 /nfs/dbraw/zinc/24/98/48/664249848.db2.gz YNCAKRWUMZYBGM-IUCAKERBSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240204 664249851 /nfs/dbraw/zinc/24/98/51/664249851.db2.gz YNCAKRWUMZYBGM-IUCAKERBSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244716 664249879 /nfs/dbraw/zinc/24/98/79/664249879.db2.gz WMUCUMTXCQSBSO-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244716 664249883 /nfs/dbraw/zinc/24/98/83/664249883.db2.gz WMUCUMTXCQSBSO-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958243021 664249933 /nfs/dbraw/zinc/24/99/33/664249933.db2.gz HDPDFBJWJGXDEM-WDEREUQCSA-N 1 1 323.349 -1.236 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958243021 664249937 /nfs/dbraw/zinc/24/99/37/664249937.db2.gz HDPDFBJWJGXDEM-WDEREUQCSA-N 1 1 323.349 -1.236 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc3n[nH]nc32)[C@H](O)C1 ZINC000958247860 664250119 /nfs/dbraw/zinc/25/01/19/664250119.db2.gz CNKOETFHSYVHEL-VXNVDRBHSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc3n[nH]nc32)[C@H](O)C1 ZINC000958247860 664250124 /nfs/dbraw/zinc/25/01/24/664250124.db2.gz CNKOETFHSYVHEL-VXNVDRBHSA-N 1 1 319.325 -2.139 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC000958248503 664250163 /nfs/dbraw/zinc/25/01/63/664250163.db2.gz JWXCZPSZEVDLHP-WCBMZHEXSA-N 1 1 306.326 -1.632 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958236743 664250217 /nfs/dbraw/zinc/25/02/17/664250217.db2.gz AFPMVTDYVSRRIU-DEKYYXRVSA-N 1 1 317.349 -1.265 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240133 664250251 /nfs/dbraw/zinc/25/02/51/664250251.db2.gz XZAGALWADLPFGY-YUMQZZPRSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240133 664250252 /nfs/dbraw/zinc/25/02/52/664250252.db2.gz XZAGALWADLPFGY-YUMQZZPRSA-N 1 1 310.310 -2.114 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958243590 664250456 /nfs/dbraw/zinc/25/04/56/664250456.db2.gz KSWHPIOBDNJMBM-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958243590 664250461 /nfs/dbraw/zinc/25/04/61/664250461.db2.gz KSWHPIOBDNJMBM-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234996 664250630 /nfs/dbraw/zinc/25/06/30/664250630.db2.gz DNXFSWWRWKNUOW-NWDGAFQWSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234996 664250633 /nfs/dbraw/zinc/25/06/33/664250633.db2.gz DNXFSWWRWKNUOW-NWDGAFQWSA-N 1 1 322.365 -1.141 20 0 DAADMO COCc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC000958244484 664250637 /nfs/dbraw/zinc/25/06/37/664250637.db2.gz RYXZEFZKVODNAG-ONGXEEELSA-N 1 1 311.338 -1.066 20 0 DAADMO COCc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC000958244484 664250638 /nfs/dbraw/zinc/25/06/38/664250638.db2.gz RYXZEFZKVODNAG-ONGXEEELSA-N 1 1 311.338 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244714 664250644 /nfs/dbraw/zinc/25/06/44/664250644.db2.gz WMUCUMTXCQSBSO-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244714 664250647 /nfs/dbraw/zinc/25/06/47/664250647.db2.gz WMUCUMTXCQSBSO-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253334 664250820 /nfs/dbraw/zinc/25/08/20/664250820.db2.gz HRRSVTJANGPYCK-KOLCDFICSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253334 664250823 /nfs/dbraw/zinc/25/08/23/664250823.db2.gz HRRSVTJANGPYCK-KOLCDFICSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254045 664251152 /nfs/dbraw/zinc/25/11/52/664251152.db2.gz LOPQIQLROVRWPR-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254045 664251154 /nfs/dbraw/zinc/25/11/54/664251154.db2.gz LOPQIQLROVRWPR-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958250245 664251165 /nfs/dbraw/zinc/25/11/65/664251165.db2.gz ZBFDWNWKINLEDD-FZMZJTMJSA-N 1 1 309.366 -1.210 20 0 DAADMO COc1coc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC000958262288 664251194 /nfs/dbraw/zinc/25/11/94/664251194.db2.gz IPWVXLWJMXCPLM-MWLCHTKSSA-N 1 1 312.322 -1.337 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn3ccnc3c2)[C@H](O)C1 ZINC000958258648 664251229 /nfs/dbraw/zinc/25/12/29/664251229.db2.gz UVVYGZCXKMINIO-VXGBXAGGSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3ccnc3c2)[C@H](O)C1 ZINC000958258648 664251231 /nfs/dbraw/zinc/25/12/31/664251231.db2.gz UVVYGZCXKMINIO-VXGBXAGGSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259111 664251257 /nfs/dbraw/zinc/25/12/57/664251257.db2.gz ZBIMOBFFHKDMCD-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259111 664251259 /nfs/dbraw/zinc/25/12/59/664251259.db2.gz ZBIMOBFFHKDMCD-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO COc1coc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC000958262286 664251308 /nfs/dbraw/zinc/25/13/08/664251308.db2.gz IPWVXLWJMXCPLM-GXSJLCMTSA-N 1 1 312.322 -1.337 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC000958277851 664251630 /nfs/dbraw/zinc/25/16/30/664251630.db2.gz QZZPPJNGWZULCW-NXEZZACHSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC000958277851 664251632 /nfs/dbraw/zinc/25/16/32/664251632.db2.gz QZZPPJNGWZULCW-NXEZZACHSA-N 1 1 324.337 -1.853 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)ncc1=O ZINC000958273184 664251651 /nfs/dbraw/zinc/25/16/51/664251651.db2.gz OULDEVMWWHEQIB-CMPLNLGQSA-N 1 1 310.354 -1.815 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274094 664251855 /nfs/dbraw/zinc/25/18/55/664251855.db2.gz UUBQCPVLUQBIQA-CMPLNLGQSA-N 1 1 310.354 -1.551 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278759 664251998 /nfs/dbraw/zinc/25/19/98/664251998.db2.gz WUIQUOKQFFCKRR-BDAKNGLRSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278759 664252001 /nfs/dbraw/zinc/25/20/01/664252001.db2.gz WUIQUOKQFFCKRR-BDAKNGLRSA-N 1 1 310.310 -2.114 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ncc1=O ZINC000958274115 664252043 /nfs/dbraw/zinc/25/20/43/664252043.db2.gz VCNRXYUGLYNOOR-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ncc1=O ZINC000958274115 664252044 /nfs/dbraw/zinc/25/20/44/664252044.db2.gz VCNRXYUGLYNOOR-SCZZXKLOSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ncc1=O ZINC000958273185 664252071 /nfs/dbraw/zinc/25/20/71/664252071.db2.gz OULDEVMWWHEQIB-JQWIXIFHSA-N 1 1 310.354 -1.815 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958281667 664252745 /nfs/dbraw/zinc/25/27/45/664252745.db2.gz OHFNHIOUPQSDQX-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958281667 664252746 /nfs/dbraw/zinc/25/27/46/664252746.db2.gz OHFNHIOUPQSDQX-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)NC1CC1 ZINC000958292178 664252946 /nfs/dbraw/zinc/25/29/46/664252946.db2.gz HWSSSFLPVARKDY-KZVDOYCCSA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)NC1CC1 ZINC000958292178 664252948 /nfs/dbraw/zinc/25/29/48/664252948.db2.gz HWSSSFLPVARKDY-KZVDOYCCSA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1COCCO1 ZINC000958293469 664253529 /nfs/dbraw/zinc/25/35/29/664253529.db2.gz YQPUHNHVZBJYRZ-QNWHQSFQSA-N 1 1 307.354 -1.260 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnco1 ZINC000958298389 664253534 /nfs/dbraw/zinc/25/35/34/664253534.db2.gz ZNKLGKUZCFZSKD-GHMZBOCLSA-N 1 1 323.353 -1.278 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnco1 ZINC000958300763 664253545 /nfs/dbraw/zinc/25/35/45/664253545.db2.gz WDWACWJSZIQDLA-QWRGUYRKSA-N 1 1 306.326 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC000958296208 664253572 /nfs/dbraw/zinc/25/35/72/664253572.db2.gz DATKNZNPXFDAQL-VXGBXAGGSA-N 1 1 323.397 -1.195 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)nn(C)c2C)[C@H](O)C1 ZINC000958296208 664253573 /nfs/dbraw/zinc/25/35/73/664253573.db2.gz DATKNZNPXFDAQL-VXGBXAGGSA-N 1 1 323.397 -1.195 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC000958298042 664253593 /nfs/dbraw/zinc/25/35/93/664253593.db2.gz XINSFNPDZQDYHQ-UWVGGRQHSA-N 1 1 320.357 -1.264 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958308781 664254120 /nfs/dbraw/zinc/25/41/20/664254120.db2.gz ABAGTBYEWUUXHZ-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958308781 664254124 /nfs/dbraw/zinc/25/41/24/664254124.db2.gz ABAGTBYEWUUXHZ-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958304953 664254131 /nfs/dbraw/zinc/25/41/31/664254131.db2.gz WVJLDMKHMJUBLW-QWRGUYRKSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958304953 664254136 /nfs/dbraw/zinc/25/41/36/664254136.db2.gz WVJLDMKHMJUBLW-QWRGUYRKSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958313281 664254695 /nfs/dbraw/zinc/25/46/95/664254695.db2.gz MJNKISQBTHSYTN-WDEREUQCSA-N 1 1 320.357 -1.573 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310302 664254868 /nfs/dbraw/zinc/25/48/68/664254868.db2.gz ZOZFEJDGHMKSGO-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310302 664254870 /nfs/dbraw/zinc/25/48/70/664254870.db2.gz ZOZFEJDGHMKSGO-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC000958313455 664255095 /nfs/dbraw/zinc/25/50/95/664255095.db2.gz OUGVNDCQLGCLNC-MNOVXSKESA-N 1 1 310.354 -1.186 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958315649 664255174 /nfs/dbraw/zinc/25/51/74/664255174.db2.gz AOHJPLSRSHODCO-KOLCDFICSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958315649 664255175 /nfs/dbraw/zinc/25/51/75/664255175.db2.gz AOHJPLSRSHODCO-KOLCDFICSA-N 1 1 320.357 -1.834 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313956 664255177 /nfs/dbraw/zinc/25/51/77/664255177.db2.gz XQUNCNMXKZWBCD-MFKMUULPSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313956 664255178 /nfs/dbraw/zinc/25/51/78/664255178.db2.gz XQUNCNMXKZWBCD-MFKMUULPSA-N 1 1 322.365 -1.141 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC000958313454 664255269 /nfs/dbraw/zinc/25/52/69/664255269.db2.gz OUGVNDCQLGCLNC-GHMZBOCLSA-N 1 1 310.354 -1.186 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC000958313317 664255534 /nfs/dbraw/zinc/25/55/34/664255534.db2.gz MREZSCKAGLQNLN-VXGBXAGGSA-N 1 1 324.381 -1.588 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC000958317005 664256041 /nfs/dbraw/zinc/25/60/41/664256041.db2.gz QPTAQXDMJKSVNE-JQWIXIFHSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958317138 664256310 /nfs/dbraw/zinc/25/63/10/664256310.db2.gz SNSJMTSYJVLBCO-WCBMZHEXSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958317138 664256314 /nfs/dbraw/zinc/25/63/14/664256314.db2.gz SNSJMTSYJVLBCO-WCBMZHEXSA-N 1 1 323.357 -2.489 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958319795 664256819 /nfs/dbraw/zinc/25/68/19/664256819.db2.gz MLFKVVJIWMBWGU-DIACKHNESA-N 1 1 311.382 -1.624 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958319795 664256821 /nfs/dbraw/zinc/25/68/21/664256821.db2.gz MLFKVVJIWMBWGU-DIACKHNESA-N 1 1 311.382 -1.624 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319372 664257284 /nfs/dbraw/zinc/25/72/84/664257284.db2.gz KXFQRZMXGFFDCX-FRVYIDGWSA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319372 664257286 /nfs/dbraw/zinc/25/72/86/664257286.db2.gz KXFQRZMXGFFDCX-FRVYIDGWSA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1cnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958321105 664257465 /nfs/dbraw/zinc/25/74/65/664257465.db2.gz SHZFSTJCEXSBSZ-YPMHNXCESA-N 1 1 319.365 -1.017 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319797 664257496 /nfs/dbraw/zinc/25/74/96/664257496.db2.gz MLFKVVJIWMBWGU-YCGPCKTQSA-N 1 1 311.382 -1.624 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319797 664257501 /nfs/dbraw/zinc/25/75/01/664257501.db2.gz MLFKVVJIWMBWGU-YCGPCKTQSA-N 1 1 311.382 -1.624 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958328579 664258138 /nfs/dbraw/zinc/25/81/38/664258138.db2.gz JKEMZKXCHAZTSN-MNOVXSKESA-N 1 1 320.357 -1.871 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958321708 664258147 /nfs/dbraw/zinc/25/81/47/664258147.db2.gz VOUHUOKXCJRAPB-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958321708 664258149 /nfs/dbraw/zinc/25/81/49/664258149.db2.gz VOUHUOKXCJRAPB-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC000958328832 664258265 /nfs/dbraw/zinc/25/82/65/664258265.db2.gz NQTAKCNKAXBLGY-PWSUYJOCSA-N 1 1 324.385 -1.198 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958321707 664258312 /nfs/dbraw/zinc/25/83/12/664258312.db2.gz VOUHUOKXCJRAPB-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958321707 664258316 /nfs/dbraw/zinc/25/83/16/664258316.db2.gz VOUHUOKXCJRAPB-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)n1 ZINC000958328905 664258773 /nfs/dbraw/zinc/25/87/73/664258773.db2.gz OXSKORQETCTQSZ-VXGBXAGGSA-N 1 1 324.385 -1.341 20 0 DAADMO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329225 664259107 /nfs/dbraw/zinc/25/91/07/664259107.db2.gz UOXGTCAYOGOMNO-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329225 664259109 /nfs/dbraw/zinc/25/91/09/664259109.db2.gz UOXGTCAYOGOMNO-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334732 664259293 /nfs/dbraw/zinc/25/92/93/664259293.db2.gz PORHALZEGODILM-POYBYMJQSA-N 1 1 300.340 -1.644 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334732 664259296 /nfs/dbraw/zinc/25/92/96/664259296.db2.gz PORHALZEGODILM-POYBYMJQSA-N 1 1 300.340 -1.644 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000958342704 664259821 /nfs/dbraw/zinc/25/98/21/664259821.db2.gz PPVJARRQDYDRPM-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000958341872 664259945 /nfs/dbraw/zinc/25/99/45/664259945.db2.gz WTNHJFBDGFHWOY-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000958341872 664259949 /nfs/dbraw/zinc/25/99/49/664259949.db2.gz WTNHJFBDGFHWOY-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359034 664260879 /nfs/dbraw/zinc/26/08/79/664260879.db2.gz AIKBSRRDYMGRIH-SKDRFNHKSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359034 664260882 /nfs/dbraw/zinc/26/08/82/664260882.db2.gz AIKBSRRDYMGRIH-SKDRFNHKSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958351238 664260922 /nfs/dbraw/zinc/26/09/22/664260922.db2.gz YIAUHXJTRKTDDE-WCBMZHEXSA-N 1 1 324.337 -2.185 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958351238 664260924 /nfs/dbraw/zinc/26/09/24/664260924.db2.gz YIAUHXJTRKTDDE-WCBMZHEXSA-N 1 1 324.337 -2.185 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc(C)n1 ZINC000958355204 664260942 /nfs/dbraw/zinc/26/09/42/664260942.db2.gz MAZNNDWUSWNEDM-NEPJUHHUSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc(C)n1 ZINC000958355204 664260944 /nfs/dbraw/zinc/26/09/44/664260944.db2.gz MAZNNDWUSWNEDM-NEPJUHHUSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1)N1CCOCC1 ZINC000958360535 664261075 /nfs/dbraw/zinc/26/10/75/664261075.db2.gz LBOHHVFXRBFMSC-RMRHIDDWSA-N 1 1 323.393 -1.072 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1)N1CCOCC1 ZINC000958360535 664261077 /nfs/dbraw/zinc/26/10/77/664261077.db2.gz LBOHHVFXRBFMSC-RMRHIDDWSA-N 1 1 323.393 -1.072 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377826 664262432 /nfs/dbraw/zinc/26/24/32/664262432.db2.gz FLIBTVROWRHJQI-WPRPVWTQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958377826 664262435 /nfs/dbraw/zinc/26/24/35/664262435.db2.gz FLIBTVROWRHJQI-WPRPVWTQSA-N 1 1 311.342 -2.106 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389594 664262746 /nfs/dbraw/zinc/26/27/46/664262746.db2.gz IQWAZXUALSVHPK-IUCAKERBSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389594 664262750 /nfs/dbraw/zinc/26/27/50/664262750.db2.gz IQWAZXUALSVHPK-IUCAKERBSA-N 1 1 310.310 -2.114 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1n[nH]cc1F ZINC000958385588 664262871 /nfs/dbraw/zinc/26/28/71/664262871.db2.gz VZDYZIAGSQZZAU-KOLCDFICSA-N 1 1 323.332 -1.137 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385330 664263210 /nfs/dbraw/zinc/26/32/10/664263210.db2.gz RHPUMUZJLYCAQH-WPRPVWTQSA-N 1 1 313.333 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385330 664263212 /nfs/dbraw/zinc/26/32/12/664263212.db2.gz RHPUMUZJLYCAQH-WPRPVWTQSA-N 1 1 313.333 -1.341 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](O)C1 ZINC000958394905 664263606 /nfs/dbraw/zinc/26/36/06/664263606.db2.gz LKYHWRSQNYFGIK-VXNVDRBHSA-N 1 1 317.371 -1.901 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC000958402490 664263812 /nfs/dbraw/zinc/26/38/12/664263812.db2.gz YVAAHDPSIBAGGZ-ZAZJYDDPSA-N 1 1 320.393 -1.068 20 0 DAADMO Cn1cnc2c1nccc2C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958399239 664263839 /nfs/dbraw/zinc/26/38/39/664263839.db2.gz KRJDAQHFICNQMN-JQWIXIFHSA-N 1 1 319.365 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394759 664263919 /nfs/dbraw/zinc/26/39/19/664263919.db2.gz JGDKBZZAXQRPLX-JQWIXIFHSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394759 664263925 /nfs/dbraw/zinc/26/39/25/664263925.db2.gz JGDKBZZAXQRPLX-JQWIXIFHSA-N 1 1 322.365 -1.136 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958395606 664264000 /nfs/dbraw/zinc/26/40/00/664264000.db2.gz XIONOOQENZYQMQ-NEPJUHHUSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958395606 664264001 /nfs/dbraw/zinc/26/40/01/664264001.db2.gz XIONOOQENZYQMQ-NEPJUHHUSA-N 1 1 322.365 -1.012 20 0 DAADMO Cn1cnc2ccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)nc21 ZINC000958395454 664264007 /nfs/dbraw/zinc/26/40/07/664264007.db2.gz VALDEPDEXFOLKY-GWCFXTLKSA-N 1 1 319.365 -1.017 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958413685 664264344 /nfs/dbraw/zinc/26/43/44/664264344.db2.gz SIUUDBZUSSTSHQ-MWLCHTKSSA-N 1 1 311.338 -1.189 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958409247 664264627 /nfs/dbraw/zinc/26/46/27/664264627.db2.gz PYUYMFJSQWDKDR-JQWIXIFHSA-N 1 1 324.381 -1.634 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958409533 664264633 /nfs/dbraw/zinc/26/46/33/664264633.db2.gz UPOXFRDXQITVIS-UWVGGRQHSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958409533 664264635 /nfs/dbraw/zinc/26/46/35/664264635.db2.gz UPOXFRDXQITVIS-UWVGGRQHSA-N 1 1 324.385 -1.459 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nccnc2N)C1=O ZINC000958414316 664264778 /nfs/dbraw/zinc/26/47/78/664264778.db2.gz DUURFHRFIADPEP-YTWAJWBKSA-N 1 1 316.365 -1.051 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1nccn2ccnc12 ZINC000958418569 664265253 /nfs/dbraw/zinc/26/52/53/664265253.db2.gz SSRHRFBLASNHKS-WDEREUQCSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429666 664265291 /nfs/dbraw/zinc/26/52/91/664265291.db2.gz MAIOKTSVJPWDSC-QWHCGFSZSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429666 664265298 /nfs/dbraw/zinc/26/52/98/664265298.db2.gz MAIOKTSVJPWDSC-QWHCGFSZSA-N 1 1 319.365 -1.269 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958430704 664265357 /nfs/dbraw/zinc/26/53/57/664265357.db2.gz XAVDRQUFJQNKOF-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958430704 664265361 /nfs/dbraw/zinc/26/53/61/664265361.db2.gz XAVDRQUFJQNKOF-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC000958424398 664265391 /nfs/dbraw/zinc/26/53/91/664265391.db2.gz VBARGTLQXQCHNR-QWHCGFSZSA-N 1 1 317.353 -1.209 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958429626 664265482 /nfs/dbraw/zinc/26/54/82/664265482.db2.gz LHCOAONBJLELGQ-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958429626 664265485 /nfs/dbraw/zinc/26/54/85/664265485.db2.gz LHCOAONBJLELGQ-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958430701 664265494 /nfs/dbraw/zinc/26/54/94/664265494.db2.gz XAVDRQUFJQNKOF-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958430701 664265497 /nfs/dbraw/zinc/26/54/97/664265497.db2.gz XAVDRQUFJQNKOF-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC000958424397 664265548 /nfs/dbraw/zinc/26/55/48/664265548.db2.gz VBARGTLQXQCHNR-OLZOCXBDSA-N 1 1 317.353 -1.209 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958431677 664266217 /nfs/dbraw/zinc/26/62/17/664266217.db2.gz INTHCVIRBUWJSO-ZRUFSTJUSA-N 1 1 316.365 -1.003 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958435155 664266552 /nfs/dbraw/zinc/26/65/52/664266552.db2.gz NHVCOJKWHBJZLW-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958435155 664266556 /nfs/dbraw/zinc/26/65/56/664266556.db2.gz NHVCOJKWHBJZLW-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448288 664266656 /nfs/dbraw/zinc/26/66/56/664266656.db2.gz NGIPEOPBACNXKS-ONGXEEELSA-N 1 1 310.354 -1.874 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958462997 664266932 /nfs/dbraw/zinc/26/69/32/664266932.db2.gz JYDOOWZAUYPUTE-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958462997 664266933 /nfs/dbraw/zinc/26/69/33/664266933.db2.gz JYDOOWZAUYPUTE-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958459252 664266943 /nfs/dbraw/zinc/26/69/43/664266943.db2.gz NGZVWXWPYBYBCS-JQWIXIFHSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958459252 664266945 /nfs/dbraw/zinc/26/69/45/664266945.db2.gz NGZVWXWPYBYBCS-JQWIXIFHSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2cccnn21 ZINC000958454599 664267055 /nfs/dbraw/zinc/26/70/55/664267055.db2.gz XLVXYIMDTHFSRE-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958452948 664267428 /nfs/dbraw/zinc/26/74/28/664267428.db2.gz IZWVMLAJXUNQPC-NWDGAFQWSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958452948 664267431 /nfs/dbraw/zinc/26/74/31/664267431.db2.gz IZWVMLAJXUNQPC-NWDGAFQWSA-N 1 1 321.381 -1.345 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958463035 664267912 /nfs/dbraw/zinc/26/79/12/664267912.db2.gz KMGGJPAIOXHDAD-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958463035 664267915 /nfs/dbraw/zinc/26/79/15/664267915.db2.gz KMGGJPAIOXHDAD-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO COCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC000958466938 664267921 /nfs/dbraw/zinc/26/79/21/664267921.db2.gz DAVQRWNNZGHVBA-KCJUWKMLSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC000958466938 664267924 /nfs/dbraw/zinc/26/79/24/664267924.db2.gz DAVQRWNNZGHVBA-KCJUWKMLSA-N 1 1 312.326 -1.671 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC000958463030 664268551 /nfs/dbraw/zinc/26/85/51/664268551.db2.gz KMDUGHXARNFSMY-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncc(OC)n2)[C@H](O)C1 ZINC000958463030 664268555 /nfs/dbraw/zinc/26/85/55/664268555.db2.gz KMDUGHXARNFSMY-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000958474676 664268869 /nfs/dbraw/zinc/26/88/69/664268869.db2.gz PGYAVPNOHQXSII-SRRSOLGSSA-N 1 1 321.385 -1.913 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000958474676 664268874 /nfs/dbraw/zinc/26/88/74/664268874.db2.gz PGYAVPNOHQXSII-SRRSOLGSSA-N 1 1 321.385 -1.913 20 0 DAADMO Cn1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474682 664269095 /nfs/dbraw/zinc/26/90/95/664269095.db2.gz PHTWMHSLNMALAD-CZXHOFHRSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474682 664269101 /nfs/dbraw/zinc/26/91/01/664269101.db2.gz PHTWMHSLNMALAD-CZXHOFHRSA-N 1 1 320.397 -1.308 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000958474155 664269120 /nfs/dbraw/zinc/26/91/20/664269120.db2.gz GWCKPDAUABIFHM-RFQIPJPRSA-N 1 1 320.397 -1.345 20 0 DAADMO Cn1cnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474510 664269183 /nfs/dbraw/zinc/26/91/83/664269183.db2.gz MGUYXAXJBYLKGP-CZXHOFHRSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1cnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474510 664269188 /nfs/dbraw/zinc/26/91/88/664269188.db2.gz MGUYXAXJBYLKGP-CZXHOFHRSA-N 1 1 320.397 -1.308 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)s1 ZINC000958476154 664269445 /nfs/dbraw/zinc/26/94/45/664269445.db2.gz FYEHHVHVYLWXDV-RKDXNWHRSA-N 1 1 313.379 -1.138 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958476654 664269698 /nfs/dbraw/zinc/26/96/98/664269698.db2.gz NEZDYBOFIWALGR-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958476654 664269700 /nfs/dbraw/zinc/26/97/00/664269700.db2.gz NEZDYBOFIWALGR-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958476495 664269742 /nfs/dbraw/zinc/26/97/42/664269742.db2.gz LGGPSFSNDCKTEK-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958476495 664269745 /nfs/dbraw/zinc/26/97/45/664269745.db2.gz LGGPSFSNDCKTEK-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](CNC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC000958476712 664269825 /nfs/dbraw/zinc/26/98/25/664269825.db2.gz OKAKKQSNDLBYGA-DGCLKSJQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](CNC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC000958476712 664269831 /nfs/dbraw/zinc/26/98/31/664269831.db2.gz OKAKKQSNDLBYGA-DGCLKSJQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958476652 664270113 /nfs/dbraw/zinc/27/01/13/664270113.db2.gz NEZDYBOFIWALGR-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958476652 664270115 /nfs/dbraw/zinc/27/01/15/664270115.db2.gz NEZDYBOFIWALGR-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476714 664270210 /nfs/dbraw/zinc/27/02/10/664270210.db2.gz OKAKKQSNDLBYGA-YPMHNXCESA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476714 664270212 /nfs/dbraw/zinc/27/02/12/664270212.db2.gz OKAKKQSNDLBYGA-YPMHNXCESA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485404 664270546 /nfs/dbraw/zinc/27/05/46/664270546.db2.gz LJODPZHURRBHMD-UWVGGRQHSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485404 664270552 /nfs/dbraw/zinc/27/05/52/664270552.db2.gz LJODPZHURRBHMD-UWVGGRQHSA-N 1 1 301.318 -1.582 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481790 664270589 /nfs/dbraw/zinc/27/05/89/664270589.db2.gz SEYKRSASYOWUHK-WDEREUQCSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481790 664270593 /nfs/dbraw/zinc/27/05/93/664270593.db2.gz SEYKRSASYOWUHK-WDEREUQCSA-N 1 1 318.337 -1.763 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc(C)n1 ZINC000958485094 664270779 /nfs/dbraw/zinc/27/07/79/664270779.db2.gz GWXCLUREIODFCP-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc(C)n1 ZINC000958485094 664270782 /nfs/dbraw/zinc/27/07/82/664270782.db2.gz GWXCLUREIODFCP-ZYHUDNBSSA-N 1 1 307.354 -1.399 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485283 664270802 /nfs/dbraw/zinc/27/08/02/664270802.db2.gz JUZHINCEHMCLCK-GHMZBOCLSA-N 1 1 315.345 -1.192 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958481766 664270812 /nfs/dbraw/zinc/27/08/12/664270812.db2.gz RWCZJWYZFNYQGK-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958480759 664270861 /nfs/dbraw/zinc/27/08/61/664270861.db2.gz HRFQKMHREUCIJH-CMPLNLGQSA-N 1 1 320.357 -1.871 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493629 664271214 /nfs/dbraw/zinc/27/12/14/664271214.db2.gz HWVIQPMMOKBXQP-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493629 664271216 /nfs/dbraw/zinc/27/12/16/664271216.db2.gz HWVIQPMMOKBXQP-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC000958493264 664271238 /nfs/dbraw/zinc/27/12/38/664271238.db2.gz FLHZVRGRMVKNIN-CMPLNLGQSA-N 1 1 310.354 -1.722 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)n[nH]c2C)[C@H](O)C1 ZINC000958489667 664271342 /nfs/dbraw/zinc/27/13/42/664271342.db2.gz STFCOAJNELXEEM-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)n[nH]c2C)[C@H](O)C1 ZINC000958489667 664271344 /nfs/dbraw/zinc/27/13/44/664271344.db2.gz STFCOAJNELXEEM-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCOC)C[C@H]2O)ccc1=O ZINC000958492846 664271480 /nfs/dbraw/zinc/27/14/80/664271480.db2.gz BDPHVKINGMZKLW-WCQYABFASA-N 1 1 324.381 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1 ZINC000958494464 664271815 /nfs/dbraw/zinc/27/18/15/664271815.db2.gz PJRXTXZUSBARPG-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1 ZINC000958494464 664271817 /nfs/dbraw/zinc/27/18/17/664271817.db2.gz PJRXTXZUSBARPG-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](CNC(=O)c3nnc[nH]3)[C@H](O)C2)cn1 ZINC000958498479 664272308 /nfs/dbraw/zinc/27/23/08/664272308.db2.gz HAPGHFOVCMRRQW-GHMZBOCLSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2ncccn2n1 ZINC000958495344 664272523 /nfs/dbraw/zinc/27/25/23/664272523.db2.gz XFSIOQOKDBMWCV-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958498283 664272702 /nfs/dbraw/zinc/27/27/02/664272702.db2.gz FTWOOSQAOUXBDN-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958498283 664272704 /nfs/dbraw/zinc/27/27/04/664272704.db2.gz FTWOOSQAOUXBDN-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500302 664273047 /nfs/dbraw/zinc/27/30/47/664273047.db2.gz TZTLIELHRXTCTH-JQWIXIFHSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500302 664273050 /nfs/dbraw/zinc/27/30/50/664273050.db2.gz TZTLIELHRXTCTH-JQWIXIFHSA-N 1 1 319.365 -1.222 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1 ZINC000958501039 664273094 /nfs/dbraw/zinc/27/30/94/664273094.db2.gz YSNNOGVMZQNKDQ-GHMZBOCLSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1 ZINC000958501039 664273097 /nfs/dbraw/zinc/27/30/97/664273097.db2.gz YSNNOGVMZQNKDQ-GHMZBOCLSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502763 664273122 /nfs/dbraw/zinc/27/31/22/664273122.db2.gz JSJJWQOVJQMCQS-GZMMTYOYSA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502763 664273126 /nfs/dbraw/zinc/27/31/26/664273126.db2.gz JSJJWQOVJQMCQS-GZMMTYOYSA-N 1 1 309.326 -1.629 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC000958502382 664273183 /nfs/dbraw/zinc/27/31/83/664273183.db2.gz APOCNDOLHYCOKD-ZYHUDNBSSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC000958502382 664273185 /nfs/dbraw/zinc/27/31/85/664273185.db2.gz APOCNDOLHYCOKD-ZYHUDNBSSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC000958502382 664273188 /nfs/dbraw/zinc/27/31/88/664273188.db2.gz APOCNDOLHYCOKD-ZYHUDNBSSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC000958502382 664273191 /nfs/dbraw/zinc/27/31/91/664273191.db2.gz APOCNDOLHYCOKD-ZYHUDNBSSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC000958502382 664273193 /nfs/dbraw/zinc/27/31/93/664273193.db2.gz APOCNDOLHYCOKD-ZYHUDNBSSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1nnc[nH]1 ZINC000958502617 664273386 /nfs/dbraw/zinc/27/33/86/664273386.db2.gz GATSXRSOZXESKC-VHSXEESVSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958502617 664273388 /nfs/dbraw/zinc/27/33/88/664273388.db2.gz GATSXRSOZXESKC-VHSXEESVSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958502617 664273390 /nfs/dbraw/zinc/27/33/90/664273390.db2.gz GATSXRSOZXESKC-VHSXEESVSA-N 1 1 323.357 -2.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 ZINC000958501040 664273425 /nfs/dbraw/zinc/27/34/25/664273425.db2.gz YSNNOGVMZQNKDQ-MNOVXSKESA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1 ZINC000958501040 664273427 /nfs/dbraw/zinc/27/34/27/664273427.db2.gz YSNNOGVMZQNKDQ-MNOVXSKESA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501179 664274087 /nfs/dbraw/zinc/27/40/87/664274087.db2.gz ZZIYZFSDXUEMRU-NEPJUHHUSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501179 664274089 /nfs/dbraw/zinc/27/40/89/664274089.db2.gz ZZIYZFSDXUEMRU-NEPJUHHUSA-N 1 1 319.365 -1.269 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958503305 664274580 /nfs/dbraw/zinc/27/45/80/664274580.db2.gz PATJBVGPJOXKAJ-NWDGAFQWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503305 664274583 /nfs/dbraw/zinc/27/45/83/664274583.db2.gz PATJBVGPJOXKAJ-NWDGAFQWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503305 664274585 /nfs/dbraw/zinc/27/45/85/664274585.db2.gz PATJBVGPJOXKAJ-NWDGAFQWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503305 664274587 /nfs/dbraw/zinc/27/45/87/664274587.db2.gz PATJBVGPJOXKAJ-NWDGAFQWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503305 664274590 /nfs/dbraw/zinc/27/45/90/664274590.db2.gz PATJBVGPJOXKAJ-NWDGAFQWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](CNC(=O)c3nnc[nH]3)[C@H](O)C2)cn1 ZINC000958503308 664274610 /nfs/dbraw/zinc/27/46/10/664274610.db2.gz PATJBVGPJOXKAJ-VXGBXAGGSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC000958503308 664274612 /nfs/dbraw/zinc/27/46/12/664274612.db2.gz PATJBVGPJOXKAJ-VXGBXAGGSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](CNC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC000958503308 664274614 /nfs/dbraw/zinc/27/46/14/664274614.db2.gz PATJBVGPJOXKAJ-VXGBXAGGSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](CNC(=O)c3nc[nH]n3)[C@H](O)C2)cn1 ZINC000958503308 664274615 /nfs/dbraw/zinc/27/46/15/664274615.db2.gz PATJBVGPJOXKAJ-VXGBXAGGSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](CNC(=O)c3nc[nH]n3)[C@H](O)C2)cn1 ZINC000958503308 664274618 /nfs/dbraw/zinc/27/46/18/664274618.db2.gz PATJBVGPJOXKAJ-VXGBXAGGSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnon1 ZINC000958506179 664275095 /nfs/dbraw/zinc/27/50/95/664275095.db2.gz BYYWRHPZAMUDAA-ONGXEEELSA-N 1 1 324.341 -1.883 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2nc3ncccn3n2)[C@H](O)C1 ZINC000958507547 664275389 /nfs/dbraw/zinc/27/53/89/664275389.db2.gz SCRWHOQQAPQEAR-GHMZBOCLSA-N 1 1 320.353 -1.207 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512792 664275396 /nfs/dbraw/zinc/27/53/96/664275396.db2.gz SQUXSGIQIJHRQD-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512792 664275398 /nfs/dbraw/zinc/27/53/98/664275398.db2.gz SQUXSGIQIJHRQD-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC000958507696 664275487 /nfs/dbraw/zinc/27/54/87/664275487.db2.gz VPHDCDHKNLRYLX-KOLCDFICSA-N 1 1 307.314 -1.616 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512793 664275754 /nfs/dbraw/zinc/27/57/54/664275754.db2.gz SQUXSGIQIJHRQD-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000958512793 664275756 /nfs/dbraw/zinc/27/57/56/664275756.db2.gz SQUXSGIQIJHRQD-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)N1CCC1 ZINC000958511386 664275803 /nfs/dbraw/zinc/27/58/03/664275803.db2.gz GFFINZMZWQVTCS-MWLCHTKSSA-N 1 1 309.326 -1.676 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)N1CCC1 ZINC000958511386 664275805 /nfs/dbraw/zinc/27/58/05/664275805.db2.gz GFFINZMZWQVTCS-MWLCHTKSSA-N 1 1 309.326 -1.676 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n(C)n1 ZINC000958522854 664276267 /nfs/dbraw/zinc/27/62/67/664276267.db2.gz SYWKNBBXJITWPH-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n(C)n1 ZINC000958522854 664276269 /nfs/dbraw/zinc/27/62/69/664276269.db2.gz SYWKNBBXJITWPH-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)NC1CC1 ZINC000958522884 664276664 /nfs/dbraw/zinc/27/66/64/664276664.db2.gz NGZOQKZAUMOJHQ-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)NC1CC1 ZINC000958522884 664276667 /nfs/dbraw/zinc/27/66/67/664276667.db2.gz NGZOQKZAUMOJHQ-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1)N1CCC1 ZINC000958522807 664276834 /nfs/dbraw/zinc/27/68/34/664276834.db2.gz MDCWEHHRVGXAIK-UUIJZJDISA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC000958523979 664277081 /nfs/dbraw/zinc/27/70/81/664277081.db2.gz YDYOGGFYSXBGKC-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC000958523979 664277086 /nfs/dbraw/zinc/27/70/86/664277086.db2.gz YDYOGGFYSXBGKC-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958553051 664277145 /nfs/dbraw/zinc/27/71/45/664277145.db2.gz ZQFMXERCYLKZGO-GXSJLCMTSA-N 1 1 310.358 -1.633 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958553051 664277155 /nfs/dbraw/zinc/27/71/55/664277155.db2.gz ZQFMXERCYLKZGO-GXSJLCMTSA-N 1 1 310.358 -1.633 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nnn1C(C)C ZINC000958549546 664277414 /nfs/dbraw/zinc/27/74/14/664277414.db2.gz YWZUTGPZICLKQY-WDEREUQCSA-N 1 1 324.385 -1.325 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nnn1C(C)C ZINC000958549546 664277417 /nfs/dbraw/zinc/27/74/17/664277417.db2.gz YWZUTGPZICLKQY-WDEREUQCSA-N 1 1 324.385 -1.325 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958552251 664277622 /nfs/dbraw/zinc/27/76/22/664277622.db2.gz ROSQWQKZTLNQTE-GXSJLCMTSA-N 1 1 310.358 -1.804 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958552251 664277624 /nfs/dbraw/zinc/27/76/24/664277624.db2.gz ROSQWQKZTLNQTE-GXSJLCMTSA-N 1 1 310.358 -1.804 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC000958558425 664277664 /nfs/dbraw/zinc/27/76/64/664277664.db2.gz DHBVADUPLCRZTP-CIQGVGRVSA-N 1 1 318.381 -1.149 20 0 DAADMO COCc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958552324 664277809 /nfs/dbraw/zinc/27/78/09/664277809.db2.gz SLJPRIDTHKWTFY-WCBMZHEXSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958552324 664277814 /nfs/dbraw/zinc/27/78/14/664277814.db2.gz SLJPRIDTHKWTFY-WCBMZHEXSA-N 1 1 312.326 -1.671 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958547801 664277989 /nfs/dbraw/zinc/27/79/89/664277989.db2.gz LRHMRXGUACRVMV-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958547801 664277992 /nfs/dbraw/zinc/27/79/92/664277992.db2.gz LRHMRXGUACRVMV-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO COCc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958552320 664278003 /nfs/dbraw/zinc/27/80/03/664278003.db2.gz SLJPRIDTHKWTFY-PSASIEDQSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958552320 664278006 /nfs/dbraw/zinc/27/80/06/664278006.db2.gz SLJPRIDTHKWTFY-PSASIEDQSA-N 1 1 312.326 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526285 664278048 /nfs/dbraw/zinc/27/80/48/664278048.db2.gz OOYAXNHABOBQBC-ONGXEEELSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526285 664278052 /nfs/dbraw/zinc/27/80/52/664278052.db2.gz OOYAXNHABOBQBC-ONGXEEELSA-N 1 1 323.353 -2.118 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000958581717 664278412 /nfs/dbraw/zinc/27/84/12/664278412.db2.gz RRRMXPSWLXQFCF-YUMQZZPRSA-N 1 1 312.326 -1.061 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562870 664278621 /nfs/dbraw/zinc/27/86/21/664278621.db2.gz IQFUTKKVLGZNLD-MNOVXSKESA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562870 664278623 /nfs/dbraw/zinc/27/86/23/664278623.db2.gz IQFUTKKVLGZNLD-MNOVXSKESA-N 1 1 323.353 -1.746 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571222 664278688 /nfs/dbraw/zinc/27/86/88/664278688.db2.gz SRZVOIQHNUCOPP-MFKMUULPSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571222 664278693 /nfs/dbraw/zinc/27/86/93/664278693.db2.gz SRZVOIQHNUCOPP-MFKMUULPSA-N 1 1 321.381 -1.273 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC000958571217 664278845 /nfs/dbraw/zinc/27/88/45/664278845.db2.gz SRTPMDWAQHCHDM-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC000958571219 664278887 /nfs/dbraw/zinc/27/88/87/664278887.db2.gz SRTPMDWAQHCHDM-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958588362 664279194 /nfs/dbraw/zinc/27/91/94/664279194.db2.gz YLAFAHHEAFIYKT-VIKVFOODSA-N 1 1 322.409 -1.356 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958588362 664279197 /nfs/dbraw/zinc/27/91/97/664279197.db2.gz YLAFAHHEAFIYKT-VIKVFOODSA-N 1 1 322.409 -1.356 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC000958587214 664279317 /nfs/dbraw/zinc/27/93/17/664279317.db2.gz HDRIEOJQVRDDRB-MWLCHTKSSA-N 1 1 321.337 -1.550 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958586869 664279352 /nfs/dbraw/zinc/27/93/52/664279352.db2.gz MQQBKSLTIFBISE-JYAVWHMHSA-N 1 1 310.398 -1.547 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC000958588158 664279560 /nfs/dbraw/zinc/27/95/60/664279560.db2.gz PYNUOOUMEBCSLG-PWSUYJOCSA-N 1 1 320.353 -1.552 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)CCC2 ZINC000958587016 664279665 /nfs/dbraw/zinc/27/96/65/664279665.db2.gz FNZWBQMTQPZGNX-GWCFXTLKSA-N 1 1 308.382 -1.076 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588764 664280156 /nfs/dbraw/zinc/28/01/56/664280156.db2.gz XYEKDYYZXCXJBE-WCBMZHEXSA-N 1 1 306.326 -1.540 20 0 DAADMO CCn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c1 ZINC000958594565 664280202 /nfs/dbraw/zinc/28/02/02/664280202.db2.gz JUXTVNJNYWLWKT-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c1 ZINC000958594565 664280207 /nfs/dbraw/zinc/28/02/07/664280207.db2.gz JUXTVNJNYWLWKT-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1=O ZINC000958599876 664280238 /nfs/dbraw/zinc/28/02/38/664280238.db2.gz VESXVACMKBGPNZ-MWLCHTKSSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1=O ZINC000958599876 664280243 /nfs/dbraw/zinc/28/02/43/664280243.db2.gz VESXVACMKBGPNZ-MWLCHTKSSA-N 1 1 308.338 -2.107 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958600078 664280527 /nfs/dbraw/zinc/28/05/27/664280527.db2.gz WRUUQPCAZDHKHR-AAEUAGOBSA-N 1 1 322.365 -1.544 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958593870 664280584 /nfs/dbraw/zinc/28/05/84/664280584.db2.gz CDLPVRHARYBBTA-IUCAKERBSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958593870 664280590 /nfs/dbraw/zinc/28/05/90/664280590.db2.gz CDLPVRHARYBBTA-IUCAKERBSA-N 1 1 324.337 -1.696 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC000958600317 664280719 /nfs/dbraw/zinc/28/07/19/664280719.db2.gz YYCYBQLGKAAVLM-ZYHUDNBSSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC000958600317 664280723 /nfs/dbraw/zinc/28/07/23/664280723.db2.gz YYCYBQLGKAAVLM-ZYHUDNBSSA-N 1 1 322.365 -1.846 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC000958599562 664280820 /nfs/dbraw/zinc/28/08/20/664280820.db2.gz QVWKMOAEZHYBKP-AAEUAGOBSA-N 1 1 323.397 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600314 664280918 /nfs/dbraw/zinc/28/09/18/664280918.db2.gz YYCYBQLGKAAVLM-CMPLNLGQSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600314 664280920 /nfs/dbraw/zinc/28/09/20/664280920.db2.gz YYCYBQLGKAAVLM-CMPLNLGQSA-N 1 1 322.365 -1.846 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1=O ZINC000958599873 664281049 /nfs/dbraw/zinc/28/10/49/664281049.db2.gz VESXVACMKBGPNZ-GXSJLCMTSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1=O ZINC000958599873 664281052 /nfs/dbraw/zinc/28/10/52/664281052.db2.gz VESXVACMKBGPNZ-GXSJLCMTSA-N 1 1 308.338 -2.107 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC000958615592 664281519 /nfs/dbraw/zinc/28/15/19/664281519.db2.gz UXYMYZIVGMDYHT-CZXHOFHRSA-N 1 1 310.398 -1.548 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958613886 664281606 /nfs/dbraw/zinc/28/16/06/664281606.db2.gz IVYZRYXBJKMHJI-COMQUAJESA-N 1 1 322.409 -1.404 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC000958615881 664281618 /nfs/dbraw/zinc/28/16/18/664281618.db2.gz ZKVQKKWMTKEEQL-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC000958615881 664281619 /nfs/dbraw/zinc/28/16/19/664281619.db2.gz ZKVQKKWMTKEEQL-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC000958615594 664281646 /nfs/dbraw/zinc/28/16/46/664281646.db2.gz UXYMYZIVGMDYHT-KZVDOYCCSA-N 1 1 310.398 -1.548 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CN=NC2=O)C1=O ZINC000958624795 664282041 /nfs/dbraw/zinc/28/20/41/664282041.db2.gz DWOOQXUGSCXLQI-KLBPJQLPSA-N 1 1 320.353 -1.739 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccc2OC)[C@H](O)C1 ZINC000958623624 664282115 /nfs/dbraw/zinc/28/21/15/664282115.db2.gz XEGAFULEXBFXHY-GHMZBOCLSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncccc2OC)[C@H](O)C1 ZINC000958623624 664282118 /nfs/dbraw/zinc/28/21/18/664282118.db2.gz XEGAFULEXBFXHY-GHMZBOCLSA-N 1 1 322.365 -1.141 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958623067 664282132 /nfs/dbraw/zinc/28/21/32/664282132.db2.gz ZJHQANQWDKCCQI-MIZYBKAJSA-N 1 1 320.353 -1.691 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CN=NC2=O)C1=O ZINC000958624796 664282162 /nfs/dbraw/zinc/28/21/62/664282162.db2.gz DWOOQXUGSCXLQI-MIZYBKAJSA-N 1 1 320.353 -1.739 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cnn1C ZINC000958625507 664282454 /nfs/dbraw/zinc/28/24/54/664282454.db2.gz KFJPHHMEMJNLGE-ZYHUDNBSSA-N 1 1 312.370 -1.166 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958625865 664282510 /nfs/dbraw/zinc/28/25/10/664282510.db2.gz MKZRJCJWTQBTIC-KOLCDFICSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958625865 664282515 /nfs/dbraw/zinc/28/25/15/664282515.db2.gz MKZRJCJWTQBTIC-KOLCDFICSA-N 1 1 309.370 -1.259 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958629355 664282618 /nfs/dbraw/zinc/28/26/18/664282618.db2.gz BCZNGTIUJSKMSX-DTWKUNHWSA-N 1 1 313.333 -1.625 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958629355 664282620 /nfs/dbraw/zinc/28/26/20/664282620.db2.gz BCZNGTIUJSKMSX-DTWKUNHWSA-N 1 1 313.333 -1.625 20 0 DAADMO Cn1nnc2ccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)cc21 ZINC000958625528 664282660 /nfs/dbraw/zinc/28/26/60/664282660.db2.gz KLOGVLYAHANUQS-BXUZGUMPSA-N 1 1 319.365 -1.017 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958626993 664282676 /nfs/dbraw/zinc/28/26/76/664282676.db2.gz RFFGYPQQNNYGCU-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958626993 664282678 /nfs/dbraw/zinc/28/26/78/664282678.db2.gz RFFGYPQQNNYGCU-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958626994 664282715 /nfs/dbraw/zinc/28/27/15/664282715.db2.gz RFFGYPQQNNYGCU-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958626994 664282717 /nfs/dbraw/zinc/28/27/17/664282717.db2.gz RFFGYPQQNNYGCU-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958635132 664283005 /nfs/dbraw/zinc/28/30/05/664283005.db2.gz FBBTWSGTQGPQLM-PWSUYJOCSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958635132 664283010 /nfs/dbraw/zinc/28/30/10/664283010.db2.gz FBBTWSGTQGPQLM-PWSUYJOCSA-N 1 1 322.365 -1.012 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639253 664283021 /nfs/dbraw/zinc/28/30/21/664283021.db2.gz AIHZFJMFKIBNAD-RYUDHWBXSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639253 664283025 /nfs/dbraw/zinc/28/30/25/664283025.db2.gz AIHZFJMFKIBNAD-RYUDHWBXSA-N 1 1 322.365 -1.102 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncnc2C2CC2)[C@H](O)C1 ZINC000958635635 664283337 /nfs/dbraw/zinc/28/33/37/664283337.db2.gz NLQRBOHWIYVZKD-ZYHUDNBSSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2C2CC2)[C@H](O)C1 ZINC000958635635 664283338 /nfs/dbraw/zinc/28/33/38/664283338.db2.gz NLQRBOHWIYVZKD-ZYHUDNBSSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635632 664283434 /nfs/dbraw/zinc/28/34/34/664283434.db2.gz NLQRBOHWIYVZKD-CMPLNLGQSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635632 664283435 /nfs/dbraw/zinc/28/34/35/664283435.db2.gz NLQRBOHWIYVZKD-CMPLNLGQSA-N 1 1 319.365 -1.138 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn(C)c2N)C1=O ZINC000958638544 664283466 /nfs/dbraw/zinc/28/34/66/664283466.db2.gz PCWNFHOFDOTOGA-KXNHARMFSA-N 1 1 318.381 -1.107 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639251 664283520 /nfs/dbraw/zinc/28/35/20/664283520.db2.gz AIHZFJMFKIBNAD-NEPJUHHUSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639251 664283523 /nfs/dbraw/zinc/28/35/23/664283523.db2.gz AIHZFJMFKIBNAD-NEPJUHHUSA-N 1 1 322.365 -1.102 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653279 664283988 /nfs/dbraw/zinc/28/39/88/664283988.db2.gz JHIXHNVYQMAYOE-JGVFFNPUSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653279 664283991 /nfs/dbraw/zinc/28/39/91/664283991.db2.gz JHIXHNVYQMAYOE-JGVFFNPUSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653280 664284070 /nfs/dbraw/zinc/28/40/70/664284070.db2.gz JHIXHNVYQMAYOE-SFYZADRCSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653280 664284072 /nfs/dbraw/zinc/28/40/72/664284072.db2.gz JHIXHNVYQMAYOE-SFYZADRCSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958653807 664284076 /nfs/dbraw/zinc/28/40/76/664284076.db2.gz OEEXHDIRYCSGMA-VHSXEESVSA-N 1 1 323.353 -2.020 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958649879 664284323 /nfs/dbraw/zinc/28/43/23/664284323.db2.gz RPUJMMYKGPAXOC-CMPLNLGQSA-N 1 1 310.354 -1.815 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648928 664284332 /nfs/dbraw/zinc/28/43/32/664284332.db2.gz DNOKMALQZSHHDV-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648928 664284335 /nfs/dbraw/zinc/28/43/35/664284335.db2.gz DNOKMALQZSHHDV-KOLCDFICSA-N 1 1 323.353 -2.451 20 0 DAADMO CCCn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC000958661561 664284862 /nfs/dbraw/zinc/28/48/62/664284862.db2.gz LVRAZFYYKKOVOI-WCQYABFASA-N 1 1 324.381 -1.332 20 0 DAADMO NC(=O)N1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958658314 664284962 /nfs/dbraw/zinc/28/49/62/664284962.db2.gz XZZHNUNUIYLRBY-RYUDHWBXSA-N 1 1 314.386 -1.822 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662450 664285097 /nfs/dbraw/zinc/28/50/97/664285097.db2.gz TWNVAEWTDJNCTH-RYUDHWBXSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662450 664285099 /nfs/dbraw/zinc/28/50/99/664285099.db2.gz TWNVAEWTDJNCTH-RYUDHWBXSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)N1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958658313 664285109 /nfs/dbraw/zinc/28/51/09/664285109.db2.gz XZZHNUNUIYLRBY-NWDGAFQWSA-N 1 1 314.386 -1.822 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2c1 ZINC000958662794 664285164 /nfs/dbraw/zinc/28/51/64/664285164.db2.gz YUPPMPYNIOGETE-MFKMUULPSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662794 664285167 /nfs/dbraw/zinc/28/51/67/664285167.db2.gz YUPPMPYNIOGETE-MFKMUULPSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662794 664285168 /nfs/dbraw/zinc/28/51/68/664285168.db2.gz YUPPMPYNIOGETE-MFKMUULPSA-N 1 1 305.338 -1.027 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958665480 664285178 /nfs/dbraw/zinc/28/51/78/664285178.db2.gz AGKPUGXXCJIZSK-GXSJLCMTSA-N 1 1 310.354 -1.082 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2c1 ZINC000958662793 664285187 /nfs/dbraw/zinc/28/51/87/664285187.db2.gz YUPPMPYNIOGETE-GXFFZTMASA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662793 664285190 /nfs/dbraw/zinc/28/51/90/664285190.db2.gz YUPPMPYNIOGETE-GXFFZTMASA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662793 664285194 /nfs/dbraw/zinc/28/51/94/664285194.db2.gz YUPPMPYNIOGETE-GXFFZTMASA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC000958657575 664285204 /nfs/dbraw/zinc/28/52/04/664285204.db2.gz KXEVZURREGGGTP-STQMWFEESA-N 1 1 307.350 -1.200 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662448 664285385 /nfs/dbraw/zinc/28/53/85/664285385.db2.gz TWNVAEWTDJNCTH-NEPJUHHUSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662448 664285389 /nfs/dbraw/zinc/28/53/89/664285389.db2.gz TWNVAEWTDJNCTH-NEPJUHHUSA-N 1 1 320.349 -1.707 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958670882 664285758 /nfs/dbraw/zinc/28/57/58/664285758.db2.gz CCQQEHPYFHEFKH-MWLCHTKSSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958670882 664285761 /nfs/dbraw/zinc/28/57/61/664285761.db2.gz CCQQEHPYFHEFKH-MWLCHTKSSA-N 1 1 323.353 -2.118 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666617 664285953 /nfs/dbraw/zinc/28/59/53/664285953.db2.gz NEPVRTLSRYHNNZ-PSASIEDQSA-N 1 1 312.326 -2.499 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC000958671698 664286065 /nfs/dbraw/zinc/28/60/65/664286065.db2.gz NYABIQYOQKINDS-QNWHQSFQSA-N 1 1 306.366 -1.600 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958677808 664286597 /nfs/dbraw/zinc/28/65/97/664286597.db2.gz VUKGDMQKNULRHB-CMPLNLGQSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958677808 664286600 /nfs/dbraw/zinc/28/66/00/664286600.db2.gz VUKGDMQKNULRHB-CMPLNLGQSA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958673918 664286632 /nfs/dbraw/zinc/28/66/32/664286632.db2.gz YSKCBVZXLZLQRF-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958673918 664286635 /nfs/dbraw/zinc/28/66/35/664286635.db2.gz YSKCBVZXLZLQRF-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958693428 664286813 /nfs/dbraw/zinc/28/68/13/664286813.db2.gz FCHGUNJOVUMDJM-STQMWFEESA-N 1 1 322.365 -1.415 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)cc1=O ZINC000958675024 664286912 /nfs/dbraw/zinc/28/69/12/664286912.db2.gz CLVJCLIJSAAMJA-COMAGPEQSA-N 1 1 320.349 -1.083 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958677744 664286948 /nfs/dbraw/zinc/28/69/48/664286948.db2.gz UNIWJODQWVDRTQ-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958692534 664287020 /nfs/dbraw/zinc/28/70/20/664287020.db2.gz BITCHNBFTYLSIS-NWDGAFQWSA-N 1 1 308.338 -1.805 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000958696723 664287407 /nfs/dbraw/zinc/28/74/07/664287407.db2.gz KEAFJEOAEDHNDH-WDNDVIMCSA-N 1 1 318.381 -1.197 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)C1 ZINC000958697252 664287747 /nfs/dbraw/zinc/28/77/47/664287747.db2.gz LLJUOHQOZITMCK-QQUHWDOBSA-N 1 1 322.409 -1.012 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC000958696746 664288024 /nfs/dbraw/zinc/28/80/24/664288024.db2.gz KQMBDFNZSQVBSW-QNWHQSFQSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958715323 664288103 /nfs/dbraw/zinc/28/81/03/664288103.db2.gz IKQNLECLNBIZTM-PWSUYJOCSA-N 1 1 322.365 -1.415 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958727153 664288274 /nfs/dbraw/zinc/28/82/74/664288274.db2.gz IZTXAXQMOCMNNN-KZVDOYCCSA-N 1 1 301.350 -1.046 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958719885 664288360 /nfs/dbraw/zinc/28/83/60/664288360.db2.gz NZEUDDZUPJOVDX-KZVDOYCCSA-N 1 1 303.366 -1.103 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1noc2c1COCC2 ZINC000958723580 664288606 /nfs/dbraw/zinc/28/86/06/664288606.db2.gz HTUQLTWQZASBSN-ONGXEEELSA-N 1 1 311.338 -1.238 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958727007 664288872 /nfs/dbraw/zinc/28/88/72/664288872.db2.gz BVNSYEYKGPPVJO-GXSJLCMTSA-N 1 1 310.358 -1.804 20 0 DAADMO NC(=O)c1csc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958726776 664288971 /nfs/dbraw/zinc/28/89/71/664288971.db2.gz AFOODQHJSZPMCU-UWVGGRQHSA-N 1 1 313.379 -1.138 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958736572 664289232 /nfs/dbraw/zinc/28/92/32/664289232.db2.gz QHXPHCLLRNPKRJ-GXFFZTMASA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958736879 664289273 /nfs/dbraw/zinc/28/92/73/664289273.db2.gz VKOXWQZDRABBQF-BXKDBHETSA-N 1 1 308.338 -1.805 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729709 664289293 /nfs/dbraw/zinc/28/92/93/664289293.db2.gz XQQQKVZTYDPXOX-GXSJLCMTSA-N 1 1 310.358 -1.806 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)nn1 ZINC000958728896 664289480 /nfs/dbraw/zinc/28/94/80/664289480.db2.gz RIQYGZOAWJIHTO-JQWIXIFHSA-N 1 1 322.369 -1.804 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n(C)c1=O ZINC000958735394 664289486 /nfs/dbraw/zinc/28/94/86/664289486.db2.gz CGBXVWGWJLVXPD-WCBMZHEXSA-N 1 1 311.342 -2.768 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n(C)c1=O ZINC000958735394 664289488 /nfs/dbraw/zinc/28/94/88/664289488.db2.gz CGBXVWGWJLVXPD-WCBMZHEXSA-N 1 1 311.342 -2.768 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735476 664289510 /nfs/dbraw/zinc/28/95/10/664289510.db2.gz CTUUMCNYTNJLPL-KCJUWKMLSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735476 664289512 /nfs/dbraw/zinc/28/95/12/664289512.db2.gz CTUUMCNYTNJLPL-KCJUWKMLSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n(C)c1=O ZINC000958735396 664289708 /nfs/dbraw/zinc/28/97/08/664289708.db2.gz CGBXVWGWJLVXPD-WPRPVWTQSA-N 1 1 311.342 -2.768 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n(C)c1=O ZINC000958735396 664289712 /nfs/dbraw/zinc/28/97/12/664289712.db2.gz CGBXVWGWJLVXPD-WPRPVWTQSA-N 1 1 311.342 -2.768 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958736599 664289819 /nfs/dbraw/zinc/28/98/19/664289819.db2.gz QUNSNDGJBYHBSW-GWCFXTLKSA-N 1 1 322.365 -1.415 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958736881 664289866 /nfs/dbraw/zinc/28/98/66/664289866.db2.gz VKOXWQZDRABBQF-JOYOIKCWSA-N 1 1 308.338 -1.805 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958740183 664290356 /nfs/dbraw/zinc/29/03/56/664290356.db2.gz KSQHSLGKGCMUCP-GHMZBOCLSA-N 1 1 323.353 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958740183 664290360 /nfs/dbraw/zinc/29/03/60/664290360.db2.gz KSQHSLGKGCMUCP-GHMZBOCLSA-N 1 1 323.353 -1.367 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958737709 664290487 /nfs/dbraw/zinc/29/04/87/664290487.db2.gz KHHVQSYYARCPBM-YTWAJWBKSA-N 1 1 306.326 -1.567 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958742446 664290563 /nfs/dbraw/zinc/29/05/63/664290563.db2.gz RNOLOECOLBHKQP-SVDPJWKOSA-N 1 1 306.370 -1.048 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958740797 664290762 /nfs/dbraw/zinc/29/07/62/664290762.db2.gz VYGOWLGGTVAALU-MFKMUULPSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958740797 664290767 /nfs/dbraw/zinc/29/07/67/664290767.db2.gz VYGOWLGGTVAALU-MFKMUULPSA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958746766 664290987 /nfs/dbraw/zinc/29/09/87/664290987.db2.gz KESAMXXLSIBGFM-KLBPJQLPSA-N 1 1 304.354 -1.246 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC000958745050 664291076 /nfs/dbraw/zinc/29/10/76/664291076.db2.gz ZJPAKBTVCQBLHU-YPMHNXCESA-N 1 1 322.365 -1.415 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958748203 664291448 /nfs/dbraw/zinc/29/14/48/664291448.db2.gz JHEWHQRZACABPQ-AAEUAGOBSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C1CC1 ZINC000958747912 664291555 /nfs/dbraw/zinc/29/15/55/664291555.db2.gz DSMJVMYJAIOEHP-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C1CC1 ZINC000958747912 664291557 /nfs/dbraw/zinc/29/15/57/664291557.db2.gz DSMJVMYJAIOEHP-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958748272 664291648 /nfs/dbraw/zinc/29/16/48/664291648.db2.gz KKTPWLNFRYLYGD-DGCLKSJQSA-N 1 1 322.365 -1.415 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958762176 664292025 /nfs/dbraw/zinc/29/20/25/664292025.db2.gz FSVXYEANAMCTCT-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC000958773713 664292801 /nfs/dbraw/zinc/29/28/01/664292801.db2.gz CNHOVVYEHLKHTJ-UXCLJVHYSA-N 1 1 306.370 -1.048 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958773294 664292837 /nfs/dbraw/zinc/29/28/37/664292837.db2.gz ITPQJIYLHBLECG-CMPLNLGQSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958773297 664292937 /nfs/dbraw/zinc/29/29/37/664292937.db2.gz ITPQJIYLHBLECG-ZYHUDNBSSA-N 1 1 308.338 -1.805 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958762993 664292964 /nfs/dbraw/zinc/29/29/64/664292964.db2.gz PYMAEGMOENPTGE-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958762993 664292965 /nfs/dbraw/zinc/29/29/65/664292965.db2.gz PYMAEGMOENPTGE-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958762994 664292988 /nfs/dbraw/zinc/29/29/88/664292988.db2.gz PYMAEGMOENPTGE-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958762994 664292990 /nfs/dbraw/zinc/29/29/90/664292990.db2.gz PYMAEGMOENPTGE-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)o1 ZINC000958779537 664293319 /nfs/dbraw/zinc/29/33/19/664293319.db2.gz VBXMJIXBFOGAGG-MPXOCVNLSA-N 1 1 305.338 -1.145 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000958781869 664293382 /nfs/dbraw/zinc/29/33/82/664293382.db2.gz QUUVGMMAEKGOEX-SDDRHHMPSA-N 1 1 315.370 -2.007 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000958781869 664293383 /nfs/dbraw/zinc/29/33/83/664293383.db2.gz QUUVGMMAEKGOEX-SDDRHHMPSA-N 1 1 315.370 -2.007 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000958784723 664293454 /nfs/dbraw/zinc/29/34/54/664293454.db2.gz AEZRQWODGFWKPP-GUBZILKMSA-N 1 1 321.324 -1.388 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000958784723 664293456 /nfs/dbraw/zinc/29/34/56/664293456.db2.gz AEZRQWODGFWKPP-GUBZILKMSA-N 1 1 321.324 -1.388 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958851294 664296103 /nfs/dbraw/zinc/29/61/03/664296103.db2.gz LFZJJYTVPMSNME-QWRGUYRKSA-N 1 1 323.353 -1.903 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958884370 664298453 /nfs/dbraw/zinc/29/84/53/664298453.db2.gz AXJSEENRDJAHRQ-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000958905090 664299397 /nfs/dbraw/zinc/29/93/97/664299397.db2.gz RMRJDJKNXHSIET-JGNFHWBKSA-N 1 1 323.393 -1.100 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000958942523 664302994 /nfs/dbraw/zinc/30/29/94/664302994.db2.gz AVRMTKLNVPNJQW-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958944883 664304534 /nfs/dbraw/zinc/30/45/34/664304534.db2.gz ATICOCFXBKHHIY-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958964612 664305714 /nfs/dbraw/zinc/30/57/14/664305714.db2.gz VGPYDHKDWPJWTF-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC000959842944 664311777 /nfs/dbraw/zinc/31/17/77/664311777.db2.gz ARTNMHJPUYKHII-SVDPJWKOSA-N 1 1 322.369 -1.542 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)nn1 ZINC000959842944 664311778 /nfs/dbraw/zinc/31/17/78/664311778.db2.gz ARTNMHJPUYKHII-SVDPJWKOSA-N 1 1 322.369 -1.542 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959897172 664312675 /nfs/dbraw/zinc/31/26/75/664312675.db2.gz VFZGSTXQPYGZSF-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959897172 664312677 /nfs/dbraw/zinc/31/26/77/664312677.db2.gz VFZGSTXQPYGZSF-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000959882088 664312742 /nfs/dbraw/zinc/31/27/42/664312742.db2.gz UZANBLMTVAHRMF-GDGBQDQQSA-N 1 1 308.342 -1.930 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC000959882088 664312744 /nfs/dbraw/zinc/31/27/44/664312744.db2.gz UZANBLMTVAHRMF-GDGBQDQQSA-N 1 1 308.342 -1.930 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC000959876694 664312850 /nfs/dbraw/zinc/31/28/50/664312850.db2.gz QRSOSVQKTXXBQX-YABSGUDNSA-N 1 1 304.350 -1.312 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC000959876694 664312854 /nfs/dbraw/zinc/31/28/54/664312854.db2.gz QRSOSVQKTXXBQX-YABSGUDNSA-N 1 1 304.350 -1.312 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1)C1CC1 ZINC000959888970 664312898 /nfs/dbraw/zinc/31/28/98/664312898.db2.gz BLOKCDOIHDZYDR-YABSGUDNSA-N 1 1 319.369 -1.660 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)cn1 ZINC000959898368 664313046 /nfs/dbraw/zinc/31/30/46/664313046.db2.gz DWKJPFGBEPGQBC-IMRBUKKESA-N 1 1 316.369 -1.304 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000959900063 664313074 /nfs/dbraw/zinc/31/30/74/664313074.db2.gz JOKOHGSQRAQWFD-KIKITERTSA-N 1 1 319.325 -2.475 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959904211 664313536 /nfs/dbraw/zinc/31/35/36/664313536.db2.gz WELOHOUTNCOODZ-IMRBUKKESA-N 1 1 316.369 -1.304 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC000959909297 664313557 /nfs/dbraw/zinc/31/35/57/664313557.db2.gz GFGDIPBWLOZEEU-IWIIMEHWSA-N 1 1 309.366 -1.190 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000959905156 664313632 /nfs/dbraw/zinc/31/36/32/664313632.db2.gz YFAVIPOEFFVWCV-IAZYJMLFSA-N 1 1 320.357 -2.255 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959906501 664313784 /nfs/dbraw/zinc/31/37/84/664313784.db2.gz BFCUGUGVVZVEJE-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC000960088843 664315012 /nfs/dbraw/zinc/31/50/12/664315012.db2.gz ZKKCRQDJHBAYCK-VIFPVBQESA-N 1 1 320.361 -1.482 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC000960083598 664315129 /nfs/dbraw/zinc/31/51/29/664315129.db2.gz VHRKBMLRVZJJQC-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC000960083609 664315266 /nfs/dbraw/zinc/31/52/66/664315266.db2.gz VHRKBMLRVZJJQC-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960107902 664315532 /nfs/dbraw/zinc/31/55/32/664315532.db2.gz ZDRDUKQWVYEAPC-PQFRYHKHSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC000960117366 664315635 /nfs/dbraw/zinc/31/56/35/664315635.db2.gz YOJBILBXRAQOOT-QWRGUYRKSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000960112072 664315650 /nfs/dbraw/zinc/31/56/50/664315650.db2.gz LYHITAQEMBHFDR-SRRSOLGSSA-N 1 1 304.354 -1.397 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)n1 ZINC000960111874 664315711 /nfs/dbraw/zinc/31/57/11/664315711.db2.gz AIDNZZAINJPVCN-NWDGAFQWSA-N 1 1 321.385 -1.033 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960116989 664315837 /nfs/dbraw/zinc/31/58/37/664315837.db2.gz WKCWPBVAPIETJU-SRRSOLGSSA-N 1 1 304.354 -1.445 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1 ZINC000960157436 664316242 /nfs/dbraw/zinc/31/62/42/664316242.db2.gz HFECWDPVUABYHF-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1C(=O)CCC1=O ZINC000960159788 664316570 /nfs/dbraw/zinc/31/65/70/664316570.db2.gz BEHQMDOZYXYFBE-KZWBYHQPSA-N 1 1 309.366 -1.047 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159671 664316663 /nfs/dbraw/zinc/31/66/63/664316663.db2.gz AJWOOUWSNGMZBT-PUHVVEEASA-N 1 1 324.381 -1.987 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159671 664316667 /nfs/dbraw/zinc/31/66/67/664316667.db2.gz AJWOOUWSNGMZBT-PUHVVEEASA-N 1 1 324.381 -1.987 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000960184850 664317011 /nfs/dbraw/zinc/31/70/11/664317011.db2.gz PXEGGVCAFHQNJQ-PJXYFTJBSA-N 1 1 317.411 -1.549 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC000960169749 664317122 /nfs/dbraw/zinc/31/71/22/664317122.db2.gz AVMQWRATYDYIGO-IWIIMEHWSA-N 1 1 308.338 -2.414 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC000960178249 664317321 /nfs/dbraw/zinc/31/73/21/664317321.db2.gz XMHRUXZNFXSDFR-YABSGUDNSA-N 1 1 322.365 -2.024 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCCCS1(=O)=O ZINC000960238075 664317518 /nfs/dbraw/zinc/31/75/18/664317518.db2.gz ABEPDVJSTNRSMW-WHOHXGKFSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCCCS1(=O)=O ZINC000960238075 664317523 /nfs/dbraw/zinc/31/75/23/664317523.db2.gz ABEPDVJSTNRSMW-WHOHXGKFSA-N 1 1 302.396 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960200387 664317614 /nfs/dbraw/zinc/31/76/14/664317614.db2.gz KSKXYUBWOGTEMD-LEQIOUOKSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960200387 664317618 /nfs/dbraw/zinc/31/76/18/664317618.db2.gz KSKXYUBWOGTEMD-LEQIOUOKSA-N 1 1 315.337 -1.113 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC000960293764 664318460 /nfs/dbraw/zinc/31/84/60/664318460.db2.gz SJHOGPAUCYXMQJ-YRGRVCCFSA-N 1 1 316.361 -1.020 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960310175 664318539 /nfs/dbraw/zinc/31/85/39/664318539.db2.gz RCGMWSKESUFPJO-KZWBYHQPSA-N 1 1 324.381 -1.974 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960310298 664318549 /nfs/dbraw/zinc/31/85/49/664318549.db2.gz ROWMRDRQPAIAIV-UUIJZJDISA-N 1 1 311.382 -1.074 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC(N)=O)n1 ZINC000960296415 664318638 /nfs/dbraw/zinc/31/86/38/664318638.db2.gz NZVVXLMFOUFLPE-ZYHUDNBSSA-N 1 1 315.337 -1.319 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960296561 664318833 /nfs/dbraw/zinc/31/88/33/664318833.db2.gz ISJOPNOSKDVRRU-XBWDGYHZSA-N 1 1 305.338 -1.191 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960296561 664318834 /nfs/dbraw/zinc/31/88/34/664318834.db2.gz ISJOPNOSKDVRRU-XBWDGYHZSA-N 1 1 305.338 -1.191 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c(cn1)OCCO2 ZINC000960317369 664319053 /nfs/dbraw/zinc/31/90/53/664319053.db2.gz WVBPSSNJUTXXIQ-QRJZZWFUSA-N 1 1 318.333 -1.002 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c(cn1)OCCO2 ZINC000960317369 664319055 /nfs/dbraw/zinc/31/90/55/664319055.db2.gz WVBPSSNJUTXXIQ-QRJZZWFUSA-N 1 1 318.333 -1.002 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960331969 664319242 /nfs/dbraw/zinc/31/92/42/664319242.db2.gz ZVZMMUPKIPWSNV-IZWKTGJZSA-N 1 1 319.365 -1.296 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC000960381604 664319575 /nfs/dbraw/zinc/31/95/75/664319575.db2.gz JURQNAYYOCJGED-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC000960381600 664319594 /nfs/dbraw/zinc/31/95/94/664319594.db2.gz JURQNAYYOCJGED-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC000960379628 664319738 /nfs/dbraw/zinc/31/97/38/664319738.db2.gz CQJQSHSGNJDAKA-NDBYEHHHSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC000960379628 664319741 /nfs/dbraw/zinc/31/97/41/664319741.db2.gz CQJQSHSGNJDAKA-NDBYEHHHSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O)NC1CC1 ZINC000960381221 664319759 /nfs/dbraw/zinc/31/97/59/664319759.db2.gz IKXCKNBYJLDTBX-NMKXLXIOSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O)NC1CC1 ZINC000960381221 664319761 /nfs/dbraw/zinc/31/97/61/664319761.db2.gz IKXCKNBYJLDTBX-NMKXLXIOSA-N 1 1 320.393 -1.162 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000960416353 664320356 /nfs/dbraw/zinc/32/03/56/664320356.db2.gz BWLZYPNYJVJJNC-QCBRBAQYSA-N 1 1 305.338 -1.028 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN2C(=O)Cn2cnnn2)C1=O ZINC000960406066 664320401 /nfs/dbraw/zinc/32/04/01/664320401.db2.gz GODXJXRLZVTZFK-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)CC[N@H+]1C ZINC000960454729 664320852 /nfs/dbraw/zinc/32/08/52/664320852.db2.gz JACGGFIRODJGAR-WISYIIOYSA-N 1 1 324.381 -1.750 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC000960471122 664320894 /nfs/dbraw/zinc/32/08/94/664320894.db2.gz IFXPQRMWNOAMMH-CPOMMVLXSA-N 1 1 305.338 -1.023 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1)NC1CC1 ZINC000960468573 664320950 /nfs/dbraw/zinc/32/09/50/664320950.db2.gz MTSUNWHNYHAGDB-ZAZJYDDPSA-N 1 1 320.393 -1.020 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1)NC1CC1 ZINC000960468573 664320952 /nfs/dbraw/zinc/32/09/52/664320952.db2.gz MTSUNWHNYHAGDB-ZAZJYDDPSA-N 1 1 320.393 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000960522380 664321153 /nfs/dbraw/zinc/32/11/53/664321153.db2.gz VCCRPPVCDQQJRK-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000960522380 664321157 /nfs/dbraw/zinc/32/11/57/664321157.db2.gz VCCRPPVCDQQJRK-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CN=NC1=O)[C@@H]1CCNC1=O ZINC000960573127 664321377 /nfs/dbraw/zinc/32/13/77/664321377.db2.gz YLMTYCYBUMLSDW-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000960567796 664321450 /nfs/dbraw/zinc/32/14/50/664321450.db2.gz MSDKPHCPWAHFDF-JDICNCQASA-N 1 1 321.337 -1.361 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000960567796 664321453 /nfs/dbraw/zinc/32/14/53/664321453.db2.gz MSDKPHCPWAHFDF-JDICNCQASA-N 1 1 321.337 -1.361 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CN=NC1=O)[C@H]1CCNC1=O ZINC000960573131 664321503 /nfs/dbraw/zinc/32/15/03/664321503.db2.gz YLMTYCYBUMLSDW-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960630216 664321865 /nfs/dbraw/zinc/32/18/65/664321865.db2.gz NCUXQWRKFIOJKK-FOCJUVANSA-N 1 1 324.425 -1.158 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000960621339 664321928 /nfs/dbraw/zinc/32/19/28/664321928.db2.gz JTNTYMHVBDUVNI-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC000960652367 664322315 /nfs/dbraw/zinc/32/23/15/664322315.db2.gz GCXMRSIDJPDTKR-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN2C(=O)Cn2ncnn2)C1=O ZINC000960650051 664322327 /nfs/dbraw/zinc/32/23/27/664322327.db2.gz ACSMIXGICPGKJE-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960644454 664322367 /nfs/dbraw/zinc/32/23/67/664322367.db2.gz BZOUPYWRVIQZIX-MIZYBKAJSA-N 1 1 322.369 -2.108 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nccn2C1 ZINC000960640167 664322381 /nfs/dbraw/zinc/32/23/81/664322381.db2.gz BBYHAJUMWANCHX-PUHVVEEASA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nccn2C1 ZINC000960640167 664322386 /nfs/dbraw/zinc/32/23/86/664322386.db2.gz BBYHAJUMWANCHX-PUHVVEEASA-N 1 1 303.366 -1.023 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960633201 664322527 /nfs/dbraw/zinc/32/25/27/664322527.db2.gz XIHAHXASUIHQGL-JYAVWHMHSA-N 1 1 310.398 -1.547 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960648846 664322594 /nfs/dbraw/zinc/32/25/94/664322594.db2.gz CAMGXPRSABPWKV-FOCJUVANSA-N 1 1 324.425 -1.158 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1ncnn1)[C@H]1CCCNC1=O ZINC000960658215 664322893 /nfs/dbraw/zinc/32/28/93/664322893.db2.gz UGRDCBTWPKROFM-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC000960658482 664323036 /nfs/dbraw/zinc/32/30/36/664323036.db2.gz SNDPNPWFIPJPQH-APOZVJGGSA-N 1 1 320.353 -1.922 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC000960658482 664323038 /nfs/dbraw/zinc/32/30/38/664323038.db2.gz SNDPNPWFIPJPQH-APOZVJGGSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)N1CCC1 ZINC000960706719 664323303 /nfs/dbraw/zinc/32/33/03/664323303.db2.gz RMWXLVHPMYVHKW-UUIJZJDISA-N 1 1 320.393 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC000960729614 664323945 /nfs/dbraw/zinc/32/39/45/664323945.db2.gz MMOXDQDUKOQUHI-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)NC1CC1 ZINC000960727303 664323959 /nfs/dbraw/zinc/32/39/59/664323959.db2.gz GERFDAHTRDQXPO-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1)NC1CC1 ZINC000960727303 664323962 /nfs/dbraw/zinc/32/39/62/664323962.db2.gz GERFDAHTRDQXPO-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000960766627 664324225 /nfs/dbraw/zinc/32/42/25/664324225.db2.gz AMQLEFWSKFEXGA-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960760120 664324468 /nfs/dbraw/zinc/32/44/68/664324468.db2.gz RWPBJPKIUGLZKI-MEWQQHAOSA-N 1 1 323.397 -1.417 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)o1 ZINC000960779199 664324492 /nfs/dbraw/zinc/32/44/92/664324492.db2.gz YIZCAGIHABHFJP-VROVMSAKSA-N 1 1 315.351 -1.421 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC000960797478 664324901 /nfs/dbraw/zinc/32/49/01/664324901.db2.gz AVKVEROAJUAAHK-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)C(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000960833459 664325519 /nfs/dbraw/zinc/32/55/19/664325519.db2.gz WTPSBXZKUHXGBU-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](C[C@H]1CCCN1C(=O)C(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000960833459 664325521 /nfs/dbraw/zinc/32/55/21/664325521.db2.gz WTPSBXZKUHXGBU-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CC[C@H]([N@H+](C)C[C@H]2CCCN2C(=O)c2nnn(C)n2)C1=O ZINC000960817403 664325624 /nfs/dbraw/zinc/32/56/24/664325624.db2.gz VZOVWNKWTLYEER-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960849250 664325938 /nfs/dbraw/zinc/32/59/38/664325938.db2.gz BVTTVYHQABXQKX-APOZVJGGSA-N 1 1 321.337 -2.131 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960849250 664325940 /nfs/dbraw/zinc/32/59/40/664325940.db2.gz BVTTVYHQABXQKX-APOZVJGGSA-N 1 1 321.337 -2.131 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960862040 664326579 /nfs/dbraw/zinc/32/65/79/664326579.db2.gz WFZSDIVLZNGXPL-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960873536 664327624 /nfs/dbraw/zinc/32/76/24/664327624.db2.gz RTPZWIGZDJAENA-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000960899971 664328072 /nfs/dbraw/zinc/32/80/72/664328072.db2.gz OJMDUVACOKBREN-DCQANWLSSA-N 1 1 323.397 -1.431 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000960899971 664328077 /nfs/dbraw/zinc/32/80/77/664328077.db2.gz OJMDUVACOKBREN-DCQANWLSSA-N 1 1 323.397 -1.431 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000960894863 664328088 /nfs/dbraw/zinc/32/80/88/664328088.db2.gz VCEKMFRRSJBPBX-CIQGVGRVSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000960894863 664328093 /nfs/dbraw/zinc/32/80/93/664328093.db2.gz VCEKMFRRSJBPBX-CIQGVGRVSA-N 1 1 308.382 -1.223 20 0 DAADMO COCCn1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)ccc1=O ZINC000960929935 664328127 /nfs/dbraw/zinc/32/81/27/664328127.db2.gz MODAVMSZZPIGLN-YABSGUDNSA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960933981 664328178 /nfs/dbraw/zinc/32/81/78/664328178.db2.gz BQMFBLIETYWLEV-LEQIOUOKSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960933981 664328180 /nfs/dbraw/zinc/32/81/80/664328180.db2.gz BQMFBLIETYWLEV-LEQIOUOKSA-N 1 1 306.322 -1.088 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000960894882 664328366 /nfs/dbraw/zinc/32/83/66/664328366.db2.gz VCEKMFRRSJBPBX-NMKXLXIOSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000960894882 664328370 /nfs/dbraw/zinc/32/83/70/664328370.db2.gz VCEKMFRRSJBPBX-NMKXLXIOSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960952107 664328461 /nfs/dbraw/zinc/32/84/61/664328461.db2.gz QRQRJJSWHAYRCR-JDICNCQASA-N 1 1 306.322 -1.216 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960952107 664328464 /nfs/dbraw/zinc/32/84/64/664328464.db2.gz QRQRJJSWHAYRCR-JDICNCQASA-N 1 1 306.322 -1.216 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 ZINC000960970421 664328657 /nfs/dbraw/zinc/32/86/57/664328657.db2.gz PZVRHRMFOUELAF-YABSGUDNSA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1 ZINC000960970421 664328661 /nfs/dbraw/zinc/32/86/61/664328661.db2.gz PZVRHRMFOUELAF-YABSGUDNSA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 ZINC000960979901 664328714 /nfs/dbraw/zinc/32/87/14/664328714.db2.gz REGHVGPYEHSZCO-WOFXILAISA-N 1 1 307.354 -1.165 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 ZINC000960979901 664328718 /nfs/dbraw/zinc/32/87/18/664328718.db2.gz REGHVGPYEHSZCO-WOFXILAISA-N 1 1 307.354 -1.165 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000960981122 664328753 /nfs/dbraw/zinc/32/87/53/664328753.db2.gz MXWYEEACOMVIIC-IWIIMEHWSA-N 1 1 307.354 -1.325 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000960981122 664328757 /nfs/dbraw/zinc/32/87/57/664328757.db2.gz MXWYEEACOMVIIC-IWIIMEHWSA-N 1 1 307.354 -1.325 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC000960979150 664328812 /nfs/dbraw/zinc/32/88/12/664328812.db2.gz HHMVPYDKCBBEFV-HEQLZXTPSA-N 1 1 316.361 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc(OC)n1 ZINC000961000509 664329114 /nfs/dbraw/zinc/32/91/14/664329114.db2.gz GNCZDEMYLOVANB-GDGBQDQQSA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc(OC)n1 ZINC000961000509 664329116 /nfs/dbraw/zinc/32/91/16/664329116.db2.gz GNCZDEMYLOVANB-GDGBQDQQSA-N 1 1 305.338 -1.109 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000961045202 664329524 /nfs/dbraw/zinc/32/95/24/664329524.db2.gz JEYSMGSQUICUCM-UPJWGTAASA-N 1 1 323.397 -1.089 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961059233 664330065 /nfs/dbraw/zinc/33/00/65/664330065.db2.gz KVSIKZOKXAZWLM-IWIIMEHWSA-N 1 1 315.337 -1.470 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961059233 664330067 /nfs/dbraw/zinc/33/00/67/664330067.db2.gz KVSIKZOKXAZWLM-IWIIMEHWSA-N 1 1 315.337 -1.470 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000961067866 664330087 /nfs/dbraw/zinc/33/00/87/664330087.db2.gz ORFNDKQTSCHEAT-AGIUHOORSA-N 1 1 309.370 -1.479 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000961067252 664330235 /nfs/dbraw/zinc/33/02/35/664330235.db2.gz HJHLSSJYTYDABW-DPWYMPPLSA-N 1 1 309.366 -1.443 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC000961087094 664331755 /nfs/dbraw/zinc/33/17/55/664331755.db2.gz BRNBEKQMWSUWKG-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)C1 ZINC000961102493 664332016 /nfs/dbraw/zinc/33/20/16/664332016.db2.gz YFEDZWJTSXWIFY-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)C1 ZINC000961102493 664332018 /nfs/dbraw/zinc/33/20/18/664332018.db2.gz YFEDZWJTSXWIFY-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1 ZINC000961101299 664332372 /nfs/dbraw/zinc/33/23/72/664332372.db2.gz IICCBEDABZZICQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1 ZINC000961101299 664332374 /nfs/dbraw/zinc/33/23/74/664332374.db2.gz IICCBEDABZZICQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1 ZINC000961101303 664332427 /nfs/dbraw/zinc/33/24/27/664332427.db2.gz IICCBEDABZZICQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1 ZINC000961101303 664332428 /nfs/dbraw/zinc/33/24/28/664332428.db2.gz IICCBEDABZZICQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2nccn2c1 ZINC000961112909 664332902 /nfs/dbraw/zinc/33/29/02/664332902.db2.gz LGRSLACKCXZVET-IAZYJMLFSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2nccn2c1 ZINC000961112909 664332907 /nfs/dbraw/zinc/33/29/07/664332907.db2.gz LGRSLACKCXZVET-IAZYJMLFSA-N 1 1 300.322 -1.125 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961220417 664335433 /nfs/dbraw/zinc/33/54/33/664335433.db2.gz LHEOYVXRCIZEGR-WUHRBBMRSA-N 1 1 322.409 -1.024 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC000961260280 664335702 /nfs/dbraw/zinc/33/57/02/664335702.db2.gz MLYIRPYBZSTITG-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235058 664335843 /nfs/dbraw/zinc/33/58/43/664335843.db2.gz PXGSEOIQWKHIBJ-QWRGUYRKSA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235058 664335846 /nfs/dbraw/zinc/33/58/46/664335846.db2.gz PXGSEOIQWKHIBJ-QWRGUYRKSA-N 1 1 321.385 -1.244 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncc2cccnc21 ZINC000961230999 664335923 /nfs/dbraw/zinc/33/59/23/664335923.db2.gz TXMGWUZLEQKVOF-YABSGUDNSA-N 1 1 314.349 -1.037 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncc2cccnc21 ZINC000961230999 664335924 /nfs/dbraw/zinc/33/59/24/664335924.db2.gz TXMGWUZLEQKVOF-YABSGUDNSA-N 1 1 314.349 -1.037 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961276439 664336279 /nfs/dbraw/zinc/33/62/79/664336279.db2.gz GFFCSBPIRCGFLS-DNJQJEMRSA-N 1 1 319.365 -1.425 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)nn1 ZINC000961317714 664337061 /nfs/dbraw/zinc/33/70/61/664337061.db2.gz ZRFJRIGSRGDADY-YABSGUDNSA-N 1 1 306.370 -1.367 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)nn1 ZINC000961317714 664337064 /nfs/dbraw/zinc/33/70/64/664337064.db2.gz ZRFJRIGSRGDADY-YABSGUDNSA-N 1 1 306.370 -1.367 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC000961317626 664337080 /nfs/dbraw/zinc/33/70/80/664337080.db2.gz YVPLPIPTVCPMCG-MIZYBKAJSA-N 1 1 318.337 -2.103 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC000961317626 664337081 /nfs/dbraw/zinc/33/70/81/664337081.db2.gz YVPLPIPTVCPMCG-MIZYBKAJSA-N 1 1 318.337 -2.103 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961436604 664339763 /nfs/dbraw/zinc/33/97/63/664339763.db2.gz BFYCSGWHCHLIFC-SREGZZRCSA-N 1 1 318.337 -1.422 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC000961424816 664339792 /nfs/dbraw/zinc/33/97/92/664339792.db2.gz XTMKMEAKIXNAIM-MXWKQRLJSA-N 1 1 323.357 -2.687 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000961448336 664340986 /nfs/dbraw/zinc/34/09/86/664340986.db2.gz XZKQOBXECBLDLB-IAZYJMLFSA-N 1 1 319.369 -1.202 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC000961463773 664342424 /nfs/dbraw/zinc/34/24/24/664342424.db2.gz FKEHVDVDKSCBRY-GDGBQDQQSA-N 1 1 307.354 -1.126 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000961474893 664342710 /nfs/dbraw/zinc/34/27/10/664342710.db2.gz CKRSVIDMDRIZBK-MIZYBKAJSA-N 1 1 309.370 -1.855 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)NC1=O ZINC000961475931 664342751 /nfs/dbraw/zinc/34/27/51/664342751.db2.gz FELQMZKKUVKOIB-KXNHARMFSA-N 1 1 319.369 -1.615 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)NC1=O ZINC000961475931 664342752 /nfs/dbraw/zinc/34/27/52/664342752.db2.gz FELQMZKKUVKOIB-KXNHARMFSA-N 1 1 319.369 -1.615 20 0 DAADMO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c[nH]c1=O ZINC000961475343 664342859 /nfs/dbraw/zinc/34/28/59/664342859.db2.gz CDRWXNMSNGSKKJ-QCBRBAQYSA-N 1 1 305.338 -1.326 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961479009 664343233 /nfs/dbraw/zinc/34/32/33/664343233.db2.gz LACJTHQWCXOOPN-HBYGRHMLSA-N 1 1 323.397 -2.447 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961483076 664343277 /nfs/dbraw/zinc/34/32/77/664343277.db2.gz WXYAVUMRMVLSCE-PUHVVEEASA-N 1 1 323.397 -2.401 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961479588 664343310 /nfs/dbraw/zinc/34/33/10/664343310.db2.gz NNYKEZYZQDKZIW-BBGACYKPSA-N 1 1 323.397 -2.272 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)NC1=O ZINC000961480074 664343443 /nfs/dbraw/zinc/34/34/43/664343443.db2.gz PAPVAXWTPVLEFY-XZUYRWCXSA-N 1 1 321.381 -1.665 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)NC1=O ZINC000961480074 664343444 /nfs/dbraw/zinc/34/34/44/664343444.db2.gz PAPVAXWTPVLEFY-XZUYRWCXSA-N 1 1 321.381 -1.665 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)NC1=O ZINC000961480070 664343588 /nfs/dbraw/zinc/34/35/88/664343588.db2.gz PAPVAXWTPVLEFY-SRRSOLGSSA-N 1 1 321.381 -1.665 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)NC1=O ZINC000961480070 664343591 /nfs/dbraw/zinc/34/35/91/664343591.db2.gz PAPVAXWTPVLEFY-SRRSOLGSSA-N 1 1 321.381 -1.665 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)n1 ZINC000961497864 664343877 /nfs/dbraw/zinc/34/38/77/664343877.db2.gz NBZGOJVIVQPZIC-URLYPYJESA-N 1 1 302.342 -1.233 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC000961501521 664344384 /nfs/dbraw/zinc/34/43/84/664344384.db2.gz XOQOYDVWVPJMTA-BBGACYKPSA-N 1 1 308.382 -1.258 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000961520442 664344707 /nfs/dbraw/zinc/34/47/07/664344707.db2.gz FYXIHOYQKQRIAY-JZYVYDRUSA-N 1 1 305.342 -1.898 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000961520442 664344712 /nfs/dbraw/zinc/34/47/12/664344712.db2.gz FYXIHOYQKQRIAY-JZYVYDRUSA-N 1 1 305.342 -1.898 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1=O ZINC000961548489 664346203 /nfs/dbraw/zinc/34/62/03/664346203.db2.gz GKDOJGWWILQFDO-WUHRBBMRSA-N 1 1 318.381 -1.197 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000961605557 664347549 /nfs/dbraw/zinc/34/75/49/664347549.db2.gz VRHWRXCJKWFBHQ-PHIMTYICSA-N 1 1 305.338 -1.406 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC000961609577 664347722 /nfs/dbraw/zinc/34/77/22/664347722.db2.gz AOWKIPDMAGCICC-APOZVJGGSA-N 1 1 304.354 -1.244 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC000961609577 664347725 /nfs/dbraw/zinc/34/77/25/664347725.db2.gz AOWKIPDMAGCICC-APOZVJGGSA-N 1 1 304.354 -1.244 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000961619276 664347859 /nfs/dbraw/zinc/34/78/59/664347859.db2.gz BJRSMYCBEXGIHV-CCCLYZFWSA-N 1 1 303.322 -1.682 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961606360 664347868 /nfs/dbraw/zinc/34/78/68/664347868.db2.gz IDAPUSBLNSSEMH-JZYVYDRUSA-N 1 1 315.337 -1.491 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961606360 664347870 /nfs/dbraw/zinc/34/78/70/664347870.db2.gz IDAPUSBLNSSEMH-JZYVYDRUSA-N 1 1 315.337 -1.491 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961621822 664347886 /nfs/dbraw/zinc/34/78/86/664347886.db2.gz INFDHODQHBLVLI-DNJQJEMRSA-N 1 1 319.365 -1.093 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)nn1C ZINC000961627274 664348142 /nfs/dbraw/zinc/34/81/42/664348142.db2.gz IUULIYGWKLUENM-QNWHQSFQSA-N 1 1 318.381 -1.044 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)nn1C ZINC000961627274 664348146 /nfs/dbraw/zinc/34/81/46/664348146.db2.gz IUULIYGWKLUENM-QNWHQSFQSA-N 1 1 318.381 -1.044 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961627279 664348238 /nfs/dbraw/zinc/34/82/38/664348238.db2.gz IWAFXDDBOVLDQH-YTWAJWBKSA-N 1 1 305.342 -1.957 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961627279 664348241 /nfs/dbraw/zinc/34/82/41/664348241.db2.gz IWAFXDDBOVLDQH-YTWAJWBKSA-N 1 1 305.342 -1.957 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000961622177 664348390 /nfs/dbraw/zinc/34/83/90/664348390.db2.gz JVBUSVYEBMTSFV-PFWNZEGQSA-N 1 1 317.349 -1.292 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)NC1CC1 ZINC000961627687 664348409 /nfs/dbraw/zinc/34/84/09/664348409.db2.gz UTWQZJDJGNLGOR-MSRIBSCDSA-N 1 1 317.349 -1.292 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)NC1CC1 ZINC000961627687 664348412 /nfs/dbraw/zinc/34/84/12/664348412.db2.gz UTWQZJDJGNLGOR-MSRIBSCDSA-N 1 1 317.349 -1.292 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)nn1C ZINC000961627276 664348496 /nfs/dbraw/zinc/34/84/96/664348496.db2.gz IUULIYGWKLUENM-XQHKEYJVSA-N 1 1 318.381 -1.044 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)nn1C ZINC000961627276 664348498 /nfs/dbraw/zinc/34/84/98/664348498.db2.gz IUULIYGWKLUENM-XQHKEYJVSA-N 1 1 318.381 -1.044 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961630890 664348898 /nfs/dbraw/zinc/34/88/98/664348898.db2.gz RDOXJFAISXNWOL-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC000961629435 664349034 /nfs/dbraw/zinc/34/90/34/664349034.db2.gz OLUNLNDBJZQWGX-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961633503 664349327 /nfs/dbraw/zinc/34/93/27/664349327.db2.gz YWFKHDABKVFQFU-KXNHARMFSA-N 1 1 319.369 -1.474 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961633503 664349330 /nfs/dbraw/zinc/34/93/30/664349330.db2.gz YWFKHDABKVFQFU-KXNHARMFSA-N 1 1 319.369 -1.474 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000961639696 664349339 /nfs/dbraw/zinc/34/93/39/664349339.db2.gz OFIANSVSZLUXKO-GDNZZTSVSA-N 1 1 302.334 -1.183 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961633215 664349360 /nfs/dbraw/zinc/34/93/60/664349360.db2.gz XCRWDDAGNTUGQY-ZRUFSTJUSA-N 1 1 322.369 -2.261 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC000961640268 664349402 /nfs/dbraw/zinc/34/94/02/664349402.db2.gz PBVZPKDXOJIDQF-PJXYFTJBSA-N 1 1 308.382 -1.079 20 0 DAADMO COc1coc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cc1=O ZINC000961655311 664350583 /nfs/dbraw/zinc/35/05/83/664350583.db2.gz FVRHAFQPQVFHOH-GDGBQDQQSA-N 1 1 307.306 -1.320 20 0 DAADMO COc1coc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cc1=O ZINC000961655311 664350587 /nfs/dbraw/zinc/35/05/87/664350587.db2.gz FVRHAFQPQVFHOH-GDGBQDQQSA-N 1 1 307.306 -1.320 20 0 DAADMO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651704 664350622 /nfs/dbraw/zinc/35/06/22/664350622.db2.gz AAULJXMFOHNGKB-NNYUYHANSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961658511 664351175 /nfs/dbraw/zinc/35/11/75/664351175.db2.gz IQBFCVIHFPMAAH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961658511 664351177 /nfs/dbraw/zinc/35/11/77/664351177.db2.gz IQBFCVIHFPMAAH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961658512 664351288 /nfs/dbraw/zinc/35/12/88/664351288.db2.gz IQBFCVIHFPMAAH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961658512 664351291 /nfs/dbraw/zinc/35/12/91/664351291.db2.gz IQBFCVIHFPMAAH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO Cn1c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cc(=O)n(C)c1=O ZINC000961670532 664351531 /nfs/dbraw/zinc/35/15/31/664351531.db2.gz QVOUZQMUGYFQDV-JZYVYDRUSA-N 1 1 321.337 -2.884 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC000961670999 664351846 /nfs/dbraw/zinc/35/18/46/664351846.db2.gz RAAAHROWPDVNHZ-PJXYFTJBSA-N 1 1 318.333 -1.138 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC000961670999 664351850 /nfs/dbraw/zinc/35/18/50/664351850.db2.gz RAAAHROWPDVNHZ-PJXYFTJBSA-N 1 1 318.333 -1.138 20 0 DAADMO C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961663921 664351923 /nfs/dbraw/zinc/35/19/23/664351923.db2.gz CLMHCCQCJRGLFG-YJQGPUDQSA-N 1 1 308.382 -1.035 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC000961678008 664352288 /nfs/dbraw/zinc/35/22/88/664352288.db2.gz DJXCVTLACZWEAJ-GDGBQDQQSA-N 1 1 307.354 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961684940 664352551 /nfs/dbraw/zinc/35/25/51/664352551.db2.gz FPIJMJIRWTYNKA-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961733268 664354275 /nfs/dbraw/zinc/35/42/75/664354275.db2.gz ALFBLAFHRRBLQI-GDGBQDQQSA-N 1 1 306.322 -1.216 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961733268 664354276 /nfs/dbraw/zinc/35/42/76/664354276.db2.gz ALFBLAFHRRBLQI-GDGBQDQQSA-N 1 1 306.322 -1.216 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC000961741830 664354883 /nfs/dbraw/zinc/35/48/83/664354883.db2.gz FSIZCKGDNFUIRY-FHUSYTEZSA-N 1 1 311.382 -1.339 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC000961749661 664355424 /nfs/dbraw/zinc/35/54/24/664355424.db2.gz LQLDWNPSJZQBNN-MAWWSGROSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000961748363 664355466 /nfs/dbraw/zinc/35/54/66/664355466.db2.gz ZLPVDHKETDGDOO-KUNJHIDRSA-N 1 1 310.354 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000961748363 664355468 /nfs/dbraw/zinc/35/54/68/664355468.db2.gz ZLPVDHKETDGDOO-KUNJHIDRSA-N 1 1 310.354 -2.188 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961753450 664355846 /nfs/dbraw/zinc/35/58/46/664355846.db2.gz FALXSOFHPFZTRI-WCQGTBRESA-N 1 1 308.338 -1.072 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CCNC1=O ZINC000961754339 664356008 /nfs/dbraw/zinc/35/60/08/664356008.db2.gz ZHAQAKUNEUGUAK-IQDSPRDJSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CCNC1=O ZINC000961754339 664356009 /nfs/dbraw/zinc/35/60/09/664356009.db2.gz ZHAQAKUNEUGUAK-IQDSPRDJSA-N 1 1 320.393 -1.162 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000961779320 664356390 /nfs/dbraw/zinc/35/63/90/664356390.db2.gz IMAOXUBQGJZIJN-LVEVGFFFSA-N 1 1 321.381 -1.821 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC000961790739 664356830 /nfs/dbraw/zinc/35/68/30/664356830.db2.gz QPMXHJURFQLPOH-MOWSAHLDSA-N 1 1 320.393 -1.225 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000961793976 664357074 /nfs/dbraw/zinc/35/70/74/664357074.db2.gz KXHHMZOIWAORMQ-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000961793976 664357077 /nfs/dbraw/zinc/35/70/77/664357077.db2.gz KXHHMZOIWAORMQ-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000961791850 664357106 /nfs/dbraw/zinc/35/71/06/664357106.db2.gz VYDYNIQATUVRIA-VLLVSFFDSA-N 1 1 308.382 -1.497 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000961791850 664357109 /nfs/dbraw/zinc/35/71/09/664357109.db2.gz VYDYNIQATUVRIA-VLLVSFFDSA-N 1 1 308.382 -1.497 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000961847174 664358574 /nfs/dbraw/zinc/35/85/74/664358574.db2.gz PAGLZBUKHCRBAS-DNJQJEMRSA-N 1 1 319.369 -1.843 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000961847174 664358576 /nfs/dbraw/zinc/35/85/76/664358576.db2.gz PAGLZBUKHCRBAS-DNJQJEMRSA-N 1 1 319.369 -1.843 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCc2nnnn2CC1 ZINC000961846743 664358717 /nfs/dbraw/zinc/35/87/17/664358717.db2.gz NRLSUAPHMKAJCZ-MEWQQHAOSA-N 1 1 306.370 -1.336 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccnnc1 ZINC000961867464 664359105 /nfs/dbraw/zinc/35/91/05/664359105.db2.gz MKBATAMCRUTRTN-XZUYRWCXSA-N 1 1 315.333 -1.058 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC000961921740 664361253 /nfs/dbraw/zinc/36/12/53/664361253.db2.gz AVFSUTKOULYGGC-AGIUHOORSA-N 1 1 321.381 -1.184 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)[nH]1 ZINC000961921069 664361380 /nfs/dbraw/zinc/36/13/80/664361380.db2.gz UECYZUDQWGLICU-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC000961927691 664361404 /nfs/dbraw/zinc/36/14/04/664361404.db2.gz JOTKZTRFKIYYMU-UTUOFQBUSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC000961924512 664361422 /nfs/dbraw/zinc/36/14/22/664361422.db2.gz XSLFFZAYNWIPGJ-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC000961926568 664361444 /nfs/dbraw/zinc/36/14/44/664361444.db2.gz YAUCZBDQFRLQPA-TXEJJXNPSA-N 1 1 324.381 -1.889 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC000961922386 664361564 /nfs/dbraw/zinc/36/15/64/664361564.db2.gz WDTJQSWJJCROKS-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC000961926857 664361883 /nfs/dbraw/zinc/36/18/83/664361883.db2.gz CPCIQBFYIUECDI-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC000961928883 664362093 /nfs/dbraw/zinc/36/20/93/664362093.db2.gz VEGXHUONJFTRES-VWYCJHECSA-N 1 1 324.381 -1.966 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O ZINC000961928733 664362115 /nfs/dbraw/zinc/36/21/15/664362115.db2.gz SXYCBOIEIIDCNG-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1O ZINC000961928730 664362245 /nfs/dbraw/zinc/36/22/45/664362245.db2.gz SXYCBOIEIIDCNG-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC000961933955 664362414 /nfs/dbraw/zinc/36/24/14/664362414.db2.gz YCYYBWCNPBTJJY-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961928992 664362472 /nfs/dbraw/zinc/36/24/72/664362472.db2.gz CKFOTIOTCLSADW-SVDPJWKOSA-N 1 1 322.365 -1.875 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961954962 664362953 /nfs/dbraw/zinc/36/29/53/664362953.db2.gz CABIDOBLMYKIHQ-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1=O ZINC000961937147 664363138 /nfs/dbraw/zinc/36/31/38/664363138.db2.gz FRFHWZABBHSNPN-MBTKJCJQSA-N 1 1 312.301 -1.577 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1=O ZINC000961937147 664363142 /nfs/dbraw/zinc/36/31/42/664363142.db2.gz FRFHWZABBHSNPN-MBTKJCJQSA-N 1 1 312.301 -1.577 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961963979 664363652 /nfs/dbraw/zinc/36/36/52/664363652.db2.gz KHRBFYZCUNYWPN-MDZLAQPJSA-N 1 1 321.381 -1.184 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000961963498 664363744 /nfs/dbraw/zinc/36/37/44/664363744.db2.gz GHFWFNKOEMGEIZ-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC000962027324 664365222 /nfs/dbraw/zinc/36/52/22/664365222.db2.gz VHOVMWDSAJOZOO-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000962029039 664365585 /nfs/dbraw/zinc/36/55/85/664365585.db2.gz RYYORDMXIAOOTP-GDGBQDQQSA-N 1 1 316.321 -1.420 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000962029039 664365587 /nfs/dbraw/zinc/36/55/87/664365587.db2.gz RYYORDMXIAOOTP-GDGBQDQQSA-N 1 1 316.321 -1.420 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962032529 664365594 /nfs/dbraw/zinc/36/55/94/664365594.db2.gz CMRIAIXKHVAYBV-PZWLIILKSA-N 1 1 322.365 -1.780 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962036436 664365698 /nfs/dbraw/zinc/36/56/98/664365698.db2.gz XPVIUQXAOFPSMB-COMAGPEQSA-N 1 1 322.365 -1.651 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035006 664365719 /nfs/dbraw/zinc/36/57/19/664365719.db2.gz PIDBWKGZTNYNKB-FNQQPIMXSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035006 664365721 /nfs/dbraw/zinc/36/57/21/664365721.db2.gz PIDBWKGZTNYNKB-FNQQPIMXSA-N 1 1 308.338 -2.041 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035569 664365733 /nfs/dbraw/zinc/36/57/33/664365733.db2.gz UJTXBSVFOSTMIR-WOFXILAISA-N 1 1 308.338 -2.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035569 664365737 /nfs/dbraw/zinc/36/57/37/664365737.db2.gz UJTXBSVFOSTMIR-WOFXILAISA-N 1 1 308.338 -2.168 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000962042377 664365954 /nfs/dbraw/zinc/36/59/54/664365954.db2.gz KMFHHOAFJXBTHD-CCCLYZFWSA-N 1 1 318.337 -1.720 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)C1 ZINC000962046943 664366309 /nfs/dbraw/zinc/36/63/09/664366309.db2.gz LMJQEYXHGUWISK-MDZLAQPJSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O)C1 ZINC000962046943 664366312 /nfs/dbraw/zinc/36/63/12/664366312.db2.gz LMJQEYXHGUWISK-MDZLAQPJSA-N 1 1 323.349 -1.088 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000962042719 664366325 /nfs/dbraw/zinc/36/63/25/664366325.db2.gz KXFPHDPYUVBERZ-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000962042719 664366326 /nfs/dbraw/zinc/36/63/26/664366326.db2.gz KXFPHDPYUVBERZ-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)C1 ZINC000962055080 664366852 /nfs/dbraw/zinc/36/68/52/664366852.db2.gz PLXVUENAZTZZSP-GRYCIOLGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)C1 ZINC000962055080 664366855 /nfs/dbraw/zinc/36/68/55/664366855.db2.gz PLXVUENAZTZZSP-GRYCIOLGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)C1 ZINC000962053592 664366922 /nfs/dbraw/zinc/36/69/22/664366922.db2.gz BQMWZYTVEBATSS-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)C1 ZINC000962053592 664366925 /nfs/dbraw/zinc/36/69/25/664366925.db2.gz BQMWZYTVEBATSS-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO O=C(Cn1[n-]cc2c(=O)ncnc1-2)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962068042 664367295 /nfs/dbraw/zinc/36/72/95/664367295.db2.gz PAHSZLNXKWCPKM-IAZYJMLFSA-N 1 1 318.337 -1.890 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962068486 664367404 /nfs/dbraw/zinc/36/74/04/664367404.db2.gz QLTGXOOGYYERPR-SREGZZRCSA-N 1 1 321.337 -2.527 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 ZINC000962113097 664367897 /nfs/dbraw/zinc/36/78/97/664367897.db2.gz XLNLUIJVLUTMLZ-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 ZINC000962113097 664367899 /nfs/dbraw/zinc/36/78/99/664367899.db2.gz XLNLUIJVLUTMLZ-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1nnc[nH]1 ZINC000962092280 664367913 /nfs/dbraw/zinc/36/79/13/664367913.db2.gz CCWUAZAAOCWPNB-GDGBQDQQSA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962092280 664367914 /nfs/dbraw/zinc/36/79/14/664367914.db2.gz CCWUAZAAOCWPNB-GDGBQDQQSA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962092280 664367915 /nfs/dbraw/zinc/36/79/15/664367915.db2.gz CCWUAZAAOCWPNB-GDGBQDQQSA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1cnon1 ZINC000962106574 664367974 /nfs/dbraw/zinc/36/79/74/664367974.db2.gz FMIDBUIFEBZIAN-MEWQQHAOSA-N 1 1 318.337 -1.013 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962136718 664368374 /nfs/dbraw/zinc/36/83/74/664368374.db2.gz ZXZPTTZOZLACST-IAZYJMLFSA-N 1 1 308.338 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962140108 664368564 /nfs/dbraw/zinc/36/85/64/664368564.db2.gz IOBYGISAIVLFNA-WGNDUZGJSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962140108 664368565 /nfs/dbraw/zinc/36/85/65/664368565.db2.gz IOBYGISAIVLFNA-WGNDUZGJSA-N 1 1 305.338 -1.353 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC2CC2)nn1 ZINC000962153635 664368574 /nfs/dbraw/zinc/36/85/74/664368574.db2.gz HHYAEAGKPRVPJO-IWIIMEHWSA-N 1 1 304.354 -1.167 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC2CC2)nn1 ZINC000962153635 664368576 /nfs/dbraw/zinc/36/85/76/664368576.db2.gz HHYAEAGKPRVPJO-IWIIMEHWSA-N 1 1 304.354 -1.167 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)n1 ZINC000962123098 664368581 /nfs/dbraw/zinc/36/85/81/664368581.db2.gz HHVSOOOQLSJDAH-RPFQZYLTSA-N 1 1 321.385 -1.279 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)n1 ZINC000962159981 664368793 /nfs/dbraw/zinc/36/87/93/664368793.db2.gz VHSIOVKDQDCXNB-YABSGUDNSA-N 1 1 319.365 -1.608 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)n1 ZINC000962159981 664368795 /nfs/dbraw/zinc/36/87/95/664368795.db2.gz VHSIOVKDQDCXNB-YABSGUDNSA-N 1 1 319.365 -1.608 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N2CCOCC2)CCC1 ZINC000962161001 664368922 /nfs/dbraw/zinc/36/89/22/664368922.db2.gz BNGCBVDQLYQDIG-IMRBUKKESA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N2CCOCC2)CCC1 ZINC000962161001 664368925 /nfs/dbraw/zinc/36/89/25/664368925.db2.gz BNGCBVDQLYQDIG-IMRBUKKESA-N 1 1 322.409 -1.227 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC000962164028 664369076 /nfs/dbraw/zinc/36/90/76/664369076.db2.gz IHCZIHUSITWUCV-UDNWOFFPSA-N 1 1 307.358 -1.669 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000962191397 664369385 /nfs/dbraw/zinc/36/93/85/664369385.db2.gz JLABHGWRAMTTJN-UXCLJVHYSA-N 1 1 324.381 -1.256 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC000962173858 664369401 /nfs/dbraw/zinc/36/94/01/664369401.db2.gz FTIDEMSMYZNTBO-ILDUYXDCSA-N 1 1 321.385 -1.185 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(OC)nc1 ZINC000962196997 664369881 /nfs/dbraw/zinc/36/98/81/664369881.db2.gz IZYUUPIBEGJXCN-IAZYJMLFSA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(OC)nc1 ZINC000962196997 664369883 /nfs/dbraw/zinc/36/98/83/664369883.db2.gz IZYUUPIBEGJXCN-IAZYJMLFSA-N 1 1 305.338 -1.109 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cn([C@H]2CCOC2)nn1 ZINC000962227678 664370330 /nfs/dbraw/zinc/37/03/30/664370330.db2.gz GQMZFXRPUQTBSL-MEWQQHAOSA-N 1 1 307.354 -1.108 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000962256691 664371127 /nfs/dbraw/zinc/37/11/27/664371127.db2.gz CWBWGCSLMGDBGN-IWIIMEHWSA-N 1 1 302.342 -1.315 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000962256691 664371132 /nfs/dbraw/zinc/37/11/32/664371132.db2.gz CWBWGCSLMGDBGN-IWIIMEHWSA-N 1 1 302.342 -1.315 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000962256691 664371134 /nfs/dbraw/zinc/37/11/34/664371134.db2.gz CWBWGCSLMGDBGN-IWIIMEHWSA-N 1 1 302.342 -1.315 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250377 664371197 /nfs/dbraw/zinc/37/11/97/664371197.db2.gz HJPAXUWMOKTSBX-WYUUTHIRSA-N 1 1 308.382 -1.414 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250103 664371235 /nfs/dbraw/zinc/37/12/35/664371235.db2.gz HJPAXUWMOKTSBX-WISYIIOYSA-N 1 1 308.382 -1.414 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000962251793 664371380 /nfs/dbraw/zinc/37/13/80/664371380.db2.gz NBZPJQJDESDEHU-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000962251793 664371383 /nfs/dbraw/zinc/37/13/83/664371383.db2.gz NBZPJQJDESDEHU-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000962251793 664371388 /nfs/dbraw/zinc/37/13/88/664371388.db2.gz NBZPJQJDESDEHU-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000962277383 664371666 /nfs/dbraw/zinc/37/16/66/664371666.db2.gz GBCYIRKBPIINKQ-LFNDISMMSA-N 1 1 318.381 -1.298 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000962277383 664371669 /nfs/dbraw/zinc/37/16/69/664371669.db2.gz GBCYIRKBPIINKQ-LFNDISMMSA-N 1 1 318.381 -1.298 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC000962270544 664371726 /nfs/dbraw/zinc/37/17/26/664371726.db2.gz JPKXUSKRVNRIOE-KLBPJQLPSA-N 1 1 309.370 -1.549 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC000962270544 664371728 /nfs/dbraw/zinc/37/17/28/664371728.db2.gz JPKXUSKRVNRIOE-KLBPJQLPSA-N 1 1 309.370 -1.549 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC000962270548 664371921 /nfs/dbraw/zinc/37/19/21/664371921.db2.gz JPKXUSKRVNRIOE-MIZYBKAJSA-N 1 1 309.370 -1.549 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC000962270548 664371923 /nfs/dbraw/zinc/37/19/23/664371923.db2.gz JPKXUSKRVNRIOE-MIZYBKAJSA-N 1 1 309.370 -1.549 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC000962273546 664372097 /nfs/dbraw/zinc/37/20/97/664372097.db2.gz RMYNUROAUOPVGA-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC000962273546 664372099 /nfs/dbraw/zinc/37/20/99/664372099.db2.gz RMYNUROAUOPVGA-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000962289596 664372325 /nfs/dbraw/zinc/37/23/25/664372325.db2.gz RHWIIMYBILAOMQ-APOZVJGGSA-N 1 1 318.337 -1.542 20 0 DAADMO CN1CCCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962290210 664372542 /nfs/dbraw/zinc/37/25/42/664372542.db2.gz VQLWWMYQSHJENK-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CCCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962290210 664372547 /nfs/dbraw/zinc/37/25/47/664372547.db2.gz VQLWWMYQSHJENK-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC000962311254 664372945 /nfs/dbraw/zinc/37/29/45/664372945.db2.gz ITTQHXOXOSDQFM-BMNUFHGDSA-N 1 1 307.358 -1.684 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000962324276 664373289 /nfs/dbraw/zinc/37/32/89/664373289.db2.gz MZFWWHYVFYHSRU-WOFXILAISA-N 1 1 304.354 -1.312 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC000962324276 664373293 /nfs/dbraw/zinc/37/32/93/664373293.db2.gz MZFWWHYVFYHSRU-WOFXILAISA-N 1 1 304.354 -1.312 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962338035 664373432 /nfs/dbraw/zinc/37/34/32/664373432.db2.gz OUUMQAAYXCXWBO-SRRSOLGSSA-N 1 1 304.354 -1.397 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)cnn1C ZINC000962403131 664374547 /nfs/dbraw/zinc/37/45/47/664374547.db2.gz HVGKYJRQRNTWIL-SNXWAXQRSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)cnn1C ZINC000962403131 664374549 /nfs/dbraw/zinc/37/45/49/664374549.db2.gz HVGKYJRQRNTWIL-SNXWAXQRSA-N 1 1 307.354 -1.038 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC000962416627 664375320 /nfs/dbraw/zinc/37/53/20/664375320.db2.gz LIFHSXIOEXQYCU-YVNMAJEFSA-N 1 1 321.385 -1.137 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC000962420817 664375571 /nfs/dbraw/zinc/37/55/71/664375571.db2.gz QYITWFZPNMMGPI-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)C1 ZINC000962429704 664375725 /nfs/dbraw/zinc/37/57/25/664375725.db2.gz JQIUCCNGHIMHTN-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962469211 664376374 /nfs/dbraw/zinc/37/63/74/664376374.db2.gz OFTMXFYOVHECLX-MSRIBSCDSA-N 1 1 319.365 -1.472 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000962454002 664376387 /nfs/dbraw/zinc/37/63/87/664376387.db2.gz INCACZIIZWIGBB-UXCLJVHYSA-N 1 1 324.381 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962469535 664376504 /nfs/dbraw/zinc/37/65/04/664376504.db2.gz PCXVZOWCPYLFSP-XBWDGYHZSA-N 1 1 305.338 -1.686 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000962454000 664376606 /nfs/dbraw/zinc/37/66/06/664376606.db2.gz INCACZIIZWIGBB-SVDPJWKOSA-N 1 1 324.381 -1.256 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000962472978 664376883 /nfs/dbraw/zinc/37/68/83/664376883.db2.gz DMFXOIIOWAESBN-PJXYFTJBSA-N 1 1 319.369 -1.650 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000962472025 664377104 /nfs/dbraw/zinc/37/71/04/664377104.db2.gz ZRULMIAUXXWUBO-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962485288 664377353 /nfs/dbraw/zinc/37/73/53/664377353.db2.gz RITLSLUIRQCYPX-DNJQJEMRSA-N 1 1 310.354 -1.692 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962490410 664377363 /nfs/dbraw/zinc/37/73/63/664377363.db2.gz WOVCVOLTJOXTMW-YABSGUDNSA-N 1 1 304.354 -1.397 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962490410 664377365 /nfs/dbraw/zinc/37/73/65/664377365.db2.gz WOVCVOLTJOXTMW-YABSGUDNSA-N 1 1 304.354 -1.397 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962484679 664377455 /nfs/dbraw/zinc/37/74/55/664377455.db2.gz ORGWCTIFQMFRPO-APOZVJGGSA-N 1 1 323.353 -2.281 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962485627 664377510 /nfs/dbraw/zinc/37/75/10/664377510.db2.gz SJKUGNUUYGXUOF-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962485627 664377514 /nfs/dbraw/zinc/37/75/14/664377514.db2.gz SJKUGNUUYGXUOF-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482591 664377673 /nfs/dbraw/zinc/37/76/73/664377673.db2.gz KNXCTNULGLMYHT-APOZVJGGSA-N 1 1 323.353 -2.199 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482591 664377675 /nfs/dbraw/zinc/37/76/75/664377675.db2.gz KNXCTNULGLMYHT-APOZVJGGSA-N 1 1 323.353 -2.199 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962482734 664377687 /nfs/dbraw/zinc/37/76/87/664377687.db2.gz LDDRYIKHJPZAQZ-KZWBYHQPSA-N 1 1 322.365 -1.379 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962506581 664378101 /nfs/dbraw/zinc/37/81/01/664378101.db2.gz DTAKQUYFEHCAMT-MYJAWHEDSA-N 1 1 305.338 -1.118 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962512648 664378156 /nfs/dbraw/zinc/37/81/56/664378156.db2.gz WZEMGEBYVHFXPX-OHBODLIOSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962512648 664378158 /nfs/dbraw/zinc/37/81/58/664378158.db2.gz WZEMGEBYVHFXPX-OHBODLIOSA-N 1 1 323.397 -1.303 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962511878 664378180 /nfs/dbraw/zinc/37/81/80/664378180.db2.gz PAXZFJFPVGNCHW-RBQUTUCGSA-N 1 1 322.365 -1.684 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962495282 664378255 /nfs/dbraw/zinc/37/82/55/664378255.db2.gz JQGPDEPFPBBHDC-PUXPGTEJSA-N 1 1 320.349 -1.930 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c[nH]1 ZINC000962576080 664379657 /nfs/dbraw/zinc/37/96/57/664379657.db2.gz MIJNDHPKPTZPTJ-DMWPJOQESA-N 1 1 317.349 -1.338 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962574180 664379665 /nfs/dbraw/zinc/37/96/65/664379665.db2.gz HOZJRJLGZHNFRW-GDGBQDQQSA-N 1 1 305.338 -1.480 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962574180 664379668 /nfs/dbraw/zinc/37/96/68/664379668.db2.gz HOZJRJLGZHNFRW-GDGBQDQQSA-N 1 1 305.338 -1.480 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c[nH]1 ZINC000962576074 664379764 /nfs/dbraw/zinc/37/97/64/664379764.db2.gz MIJNDHPKPTZPTJ-BSJXLVFVSA-N 1 1 317.349 -1.338 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962601286 664380059 /nfs/dbraw/zinc/38/00/59/664380059.db2.gz BAAMCDFLPAJPIZ-ZRUFSTJUSA-N 1 1 303.384 -1.629 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC000962608354 664380209 /nfs/dbraw/zinc/38/02/09/664380209.db2.gz UJSLAYSWHZLJIO-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC000962608354 664380212 /nfs/dbraw/zinc/38/02/12/664380212.db2.gz UJSLAYSWHZLJIO-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614004 664380784 /nfs/dbraw/zinc/38/07/84/664380784.db2.gz FWJAIFGCDSFSBF-HNXYORABSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614004 664380785 /nfs/dbraw/zinc/38/07/85/664380785.db2.gz FWJAIFGCDSFSBF-HNXYORABSA-N 1 1 317.349 -1.286 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962652460 664381627 /nfs/dbraw/zinc/38/16/27/664381627.db2.gz JZNFQUXKALLHPV-MSRIBSCDSA-N 1 1 318.381 -1.233 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962652460 664381630 /nfs/dbraw/zinc/38/16/30/664381630.db2.gz JZNFQUXKALLHPV-MSRIBSCDSA-N 1 1 318.381 -1.233 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962698829 664382516 /nfs/dbraw/zinc/38/25/16/664382516.db2.gz IFVJJIDYEDWMBS-JZYVYDRUSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962698829 664382518 /nfs/dbraw/zinc/38/25/18/664382518.db2.gz IFVJJIDYEDWMBS-JZYVYDRUSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC000962694139 664382669 /nfs/dbraw/zinc/38/26/69/664382669.db2.gz WRCFFGJJGYDUPF-PAPYEOQZSA-N 1 1 322.409 -1.371 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC000962694139 664382672 /nfs/dbraw/zinc/38/26/72/664382672.db2.gz WRCFFGJJGYDUPF-PAPYEOQZSA-N 1 1 322.409 -1.371 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC000962728078 664383465 /nfs/dbraw/zinc/38/34/65/664383465.db2.gz VMUGFKDEBWIUOJ-KZWBYHQPSA-N 1 1 318.381 -1.367 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC000962728078 664383468 /nfs/dbraw/zinc/38/34/68/664383468.db2.gz VMUGFKDEBWIUOJ-KZWBYHQPSA-N 1 1 318.381 -1.367 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)nn1 ZINC000962785382 664383920 /nfs/dbraw/zinc/38/39/20/664383920.db2.gz ZZASQLKNWPPTON-GDGBQDQQSA-N 1 1 310.333 -1.217 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)nn1 ZINC000962757019 664383956 /nfs/dbraw/zinc/38/39/56/664383956.db2.gz ASXWHIKHODNZNV-GDGBQDQQSA-N 1 1 308.342 -2.194 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962799612 664384488 /nfs/dbraw/zinc/38/44/88/664384488.db2.gz AZAOUOQKFRDVGH-OUAUKWLOSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962799612 664384490 /nfs/dbraw/zinc/38/44/90/664384490.db2.gz AZAOUOQKFRDVGH-OUAUKWLOSA-N 1 1 323.353 -1.958 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)nn1 ZINC000962812557 664385252 /nfs/dbraw/zinc/38/52/52/664385252.db2.gz LVBSRVCNVNLLIC-IWIIMEHWSA-N 1 1 322.369 -1.981 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n(C)c1=O ZINC000962853169 664385777 /nfs/dbraw/zinc/38/57/77/664385777.db2.gz MTQYUWYBVSGHAB-MIZYBKAJSA-N 1 1 319.365 -1.728 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962922475 664386912 /nfs/dbraw/zinc/38/69/12/664386912.db2.gz OJOHQKFDIXEOSN-XBWDGYHZSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962922475 664386913 /nfs/dbraw/zinc/38/69/13/664386913.db2.gz OJOHQKFDIXEOSN-XBWDGYHZSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963027371 664387791 /nfs/dbraw/zinc/38/77/91/664387791.db2.gz BICBDUCKRJMNIN-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963027371 664387792 /nfs/dbraw/zinc/38/77/92/664387792.db2.gz BICBDUCKRJMNIN-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963035444 664387960 /nfs/dbraw/zinc/38/79/60/664387960.db2.gz NLDCVWNICQECNB-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963035444 664387963 /nfs/dbraw/zinc/38/79/63/664387963.db2.gz NLDCVWNICQECNB-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963185151 664388621 /nfs/dbraw/zinc/38/86/21/664388621.db2.gz QZFQCPBKSRBOIK-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963185151 664388625 /nfs/dbraw/zinc/38/86/25/664388625.db2.gz QZFQCPBKSRBOIK-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000963214824 664388673 /nfs/dbraw/zinc/38/86/73/664388673.db2.gz ODDOZHLBDRUBDE-ZJUUUORDSA-N 1 1 323.353 -1.820 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cn1 ZINC000963374560 664389371 /nfs/dbraw/zinc/38/93/71/664389371.db2.gz CFFWGXGDNNFROY-RTXFEEFZSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358502 664389480 /nfs/dbraw/zinc/38/94/80/664389480.db2.gz SIWFFKBKZDSTSZ-WDEREUQCSA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358502 664389482 /nfs/dbraw/zinc/38/94/82/664389482.db2.gz SIWFFKBKZDSTSZ-WDEREUQCSA-N 1 1 321.385 -1.102 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2O)C1 ZINC000963418938 664389784 /nfs/dbraw/zinc/38/97/84/664389784.db2.gz GPWLCMLPOULVOK-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963391842 664389858 /nfs/dbraw/zinc/38/98/58/664389858.db2.gz AZESDKMCKXGPDE-BBBLOLIVSA-N 1 1 323.357 -2.537 20 0 DAADMO Cc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963397255 664389895 /nfs/dbraw/zinc/38/98/95/664389895.db2.gz VNLAFMCVXIDBCT-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]2O)C1 ZINC000963419804 664390062 /nfs/dbraw/zinc/39/00/62/664390062.db2.gz JXWZDKKUHHOSCN-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2O)C1 ZINC000963419804 664390065 /nfs/dbraw/zinc/39/00/65/664390065.db2.gz JXWZDKKUHHOSCN-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2O)C1 ZINC000963419804 664390067 /nfs/dbraw/zinc/39/00/67/664390067.db2.gz JXWZDKKUHHOSCN-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]2O)C1 ZINC000963419809 664390114 /nfs/dbraw/zinc/39/01/14/664390114.db2.gz KBXMXGMKGBDKQE-UTUOFQBUSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3=CCOCC3)C[C@@H]2O)C1 ZINC000963394956 664390129 /nfs/dbraw/zinc/39/01/29/664390129.db2.gz OPFMEFVDDRRGON-MJBXVCDLSA-N 1 1 323.393 -1.027 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963420453 664390245 /nfs/dbraw/zinc/39/02/45/664390245.db2.gz MIZGIYLJDNSUEP-AXFHLTTASA-N 1 1 322.369 -1.932 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963376531 664390296 /nfs/dbraw/zinc/39/02/96/664390296.db2.gz YODZPOZSMAIKSK-MXWKQRLJSA-N 1 1 301.412 -1.011 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963397282 664390305 /nfs/dbraw/zinc/39/03/05/664390305.db2.gz VPLISGRRQZJYSE-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC000963418140 664390312 /nfs/dbraw/zinc/39/03/12/664390312.db2.gz FBJGULDMPWQDQR-UMNHJUIQSA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963397286 664390456 /nfs/dbraw/zinc/39/04/56/664390456.db2.gz VPLISGRRQZJYSE-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000963422285 664390628 /nfs/dbraw/zinc/39/06/28/664390628.db2.gz VXCGLOTZYMGNMT-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000963452572 664390938 /nfs/dbraw/zinc/39/09/38/664390938.db2.gz PIQWFYUNJSWNNU-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC000963453032 664390950 /nfs/dbraw/zinc/39/09/50/664390950.db2.gz RPFUPEFVWZUZAW-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC000963453032 664390953 /nfs/dbraw/zinc/39/09/53/664390953.db2.gz RPFUPEFVWZUZAW-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963422623 664391035 /nfs/dbraw/zinc/39/10/35/664391035.db2.gz YXUCWNLTPCESSP-FOGDFJRCSA-N 1 1 322.369 -1.932 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963513756 664392531 /nfs/dbraw/zinc/39/25/31/664392531.db2.gz NZYFTXUKSJJOBG-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963872821 664397132 /nfs/dbraw/zinc/39/71/32/664397132.db2.gz DNLBYMWRLQXTCS-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120870 664401025 /nfs/dbraw/zinc/40/10/25/664401025.db2.gz NZLHCGRLDFZNGG-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120870 664401026 /nfs/dbraw/zinc/40/10/26/664401026.db2.gz NZLHCGRLDFZNGG-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC000964116100 664401084 /nfs/dbraw/zinc/40/10/84/664401084.db2.gz AJNHJTNAHLTDIJ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150310 664401998 /nfs/dbraw/zinc/40/19/98/664401998.db2.gz YHWJNCUQEODBTF-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964140583 664401927 /nfs/dbraw/zinc/40/19/27/664401927.db2.gz BOFCXNOACCEKPO-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964140583 664401929 /nfs/dbraw/zinc/40/19/29/664401929.db2.gz BOFCXNOACCEKPO-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150310 664402000 /nfs/dbraw/zinc/40/20/00/664402000.db2.gz YHWJNCUQEODBTF-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)c2nc[nH]n2)C1 ZINC000964194282 664403945 /nfs/dbraw/zinc/40/39/45/664403945.db2.gz WHWSIZKQKSVLLH-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)c2cn[nH]n2)C1 ZINC000964194971 664403993 /nfs/dbraw/zinc/40/39/93/664403993.db2.gz ZTLZFBPFQNEDHI-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)C1 ZINC000964202204 664404059 /nfs/dbraw/zinc/40/40/59/664404059.db2.gz QTBBLESVOHQSKI-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)CC[N@H+]1C ZINC000964211554 664404416 /nfs/dbraw/zinc/40/44/16/664404416.db2.gz JTWGHDRQONXEQS-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000964245100 664404815 /nfs/dbraw/zinc/40/48/15/664404815.db2.gz ZZJJUUUYWXPFPR-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cn[nH]n2)C1 ZINC000964258802 664405996 /nfs/dbraw/zinc/40/59/96/664405996.db2.gz UFVDBLRKGBJWFJ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258802 664405999 /nfs/dbraw/zinc/40/59/99/664405999.db2.gz UFVDBLRKGBJWFJ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258802 664406000 /nfs/dbraw/zinc/40/60/00/664406000.db2.gz UFVDBLRKGBJWFJ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)CC[N@H+]1C ZINC000964637081 664412282 /nfs/dbraw/zinc/41/22/82/664412282.db2.gz WMGOYBSHUBPCJJ-IQIPOGNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964966660 664413600 /nfs/dbraw/zinc/41/36/00/664413600.db2.gz QDMXJAFVZGMJGN-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964966660 664413603 /nfs/dbraw/zinc/41/36/03/664413603.db2.gz QDMXJAFVZGMJGN-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964965461 664413719 /nfs/dbraw/zinc/41/37/19/664413719.db2.gz NXLQRSKUVPBJIC-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964965461 664413726 /nfs/dbraw/zinc/41/37/26/664413726.db2.gz NXLQRSKUVPBJIC-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964972667 664414106 /nfs/dbraw/zinc/41/41/06/664414106.db2.gz ZHSVJUCADSKTGV-NEPJUHHUSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964972673 664414145 /nfs/dbraw/zinc/41/41/45/664414145.db2.gz ZHSVJUCADSKTGV-VXGBXAGGSA-N 1 1 319.373 -1.209 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)C1 ZINC000964973044 664414255 /nfs/dbraw/zinc/41/42/55/664414255.db2.gz PXDCPDARAGMXJZ-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)C1 ZINC000964973044 664414257 /nfs/dbraw/zinc/41/42/57/664414257.db2.gz PXDCPDARAGMXJZ-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000965007643 664414371 /nfs/dbraw/zinc/41/43/71/664414371.db2.gz RGRDLBXBYWSOET-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000965007643 664414372 /nfs/dbraw/zinc/41/43/72/664414372.db2.gz RGRDLBXBYWSOET-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965416922 664421280 /nfs/dbraw/zinc/42/12/80/664421280.db2.gz RMLLULHDGLZZPG-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965461690 664423018 /nfs/dbraw/zinc/42/30/18/664423018.db2.gz KPZUKBWHJWVANI-JTQLQIEISA-N 1 1 310.354 -1.994 20 0 DAADMO C[N@@H+](CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2)C1CCC1 ZINC000965463749 664423388 /nfs/dbraw/zinc/42/33/88/664423388.db2.gz DDHPGTKALSCXSA-UHFFFAOYSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965471712 664424044 /nfs/dbraw/zinc/42/40/44/664424044.db2.gz NYYAYNPNOAMILW-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965491755 664424738 /nfs/dbraw/zinc/42/47/38/664424738.db2.gz XGSXUBANMPFXFX-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965492801 664424766 /nfs/dbraw/zinc/42/47/66/664424766.db2.gz ULYCKPVWUJSGRN-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965656959 664428274 /nfs/dbraw/zinc/42/82/74/664428274.db2.gz PKIUVBXTLSAAPT-NXEZZACHSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965698899 664429107 /nfs/dbraw/zinc/42/91/07/664429107.db2.gz BACLEHABWYPYDN-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965734123 664430079 /nfs/dbraw/zinc/43/00/79/664430079.db2.gz SQMOWLKJIBPEIQ-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965789690 664432322 /nfs/dbraw/zinc/43/23/22/664432322.db2.gz LFEYKVIWANOSBI-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@@H+](CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2)C1CCC1 ZINC000965790788 664432763 /nfs/dbraw/zinc/43/27/63/664432763.db2.gz ORLXRAANPLSILK-JTQLQIEISA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965801449 664434178 /nfs/dbraw/zinc/43/41/78/664434178.db2.gz BAFMQZNKYWDXRT-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965821093 664435474 /nfs/dbraw/zinc/43/54/74/664435474.db2.gz UNFLJRIVAVRWBG-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898757 664436404 /nfs/dbraw/zinc/43/64/04/664436404.db2.gz CPGMYUUJFNUTEN-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898757 664436406 /nfs/dbraw/zinc/43/64/06/664436406.db2.gz CPGMYUUJFNUTEN-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC000965921646 664436598 /nfs/dbraw/zinc/43/65/98/664436598.db2.gz MEYGYEHCTSSUID-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC000965921646 664436602 /nfs/dbraw/zinc/43/66/02/664436602.db2.gz MEYGYEHCTSSUID-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138631 664439063 /nfs/dbraw/zinc/43/90/63/664439063.db2.gz WXBVFYVMLGUJAD-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138631 664439067 /nfs/dbraw/zinc/43/90/67/664439067.db2.gz WXBVFYVMLGUJAD-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138629 664439336 /nfs/dbraw/zinc/43/93/36/664439336.db2.gz WXBVFYVMLGUJAD-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966138629 664439337 /nfs/dbraw/zinc/43/93/37/664439337.db2.gz WXBVFYVMLGUJAD-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138620 664439415 /nfs/dbraw/zinc/43/94/15/664439415.db2.gz WXBVFYVMLGUJAD-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966138620 664439416 /nfs/dbraw/zinc/43/94/16/664439416.db2.gz WXBVFYVMLGUJAD-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO COCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000966166035 664440293 /nfs/dbraw/zinc/44/02/93/664440293.db2.gz JCNYXTNGMLXEBA-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966170228 664440310 /nfs/dbraw/zinc/44/03/10/664440310.db2.gz WQHUVRKGQARHOQ-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966170226 664440337 /nfs/dbraw/zinc/44/03/37/664440337.db2.gz WQHUVRKGQARHOQ-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000966521872 664445455 /nfs/dbraw/zinc/44/54/55/664445455.db2.gz HTGJCKTYAVKZFN-RYUDHWBXSA-N 1 1 324.381 -1.634 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000966521866 664445506 /nfs/dbraw/zinc/44/55/06/664445506.db2.gz HTGJCKTYAVKZFN-NWDGAFQWSA-N 1 1 324.381 -1.634 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846333 664452104 /nfs/dbraw/zinc/45/21/04/664452104.db2.gz PTWAASCMXNSJOR-CMPLNLGQSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846333 664452106 /nfs/dbraw/zinc/45/21/06/664452106.db2.gz PTWAASCMXNSJOR-CMPLNLGQSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846347 664452212 /nfs/dbraw/zinc/45/22/12/664452212.db2.gz PTWAASCMXNSJOR-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846347 664452216 /nfs/dbraw/zinc/45/22/16/664452216.db2.gz PTWAASCMXNSJOR-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC000966889212 664453723 /nfs/dbraw/zinc/45/37/23/664453723.db2.gz KZQVCZABTQDKHT-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967029282 664454280 /nfs/dbraw/zinc/45/42/80/664454280.db2.gz GXHYWBXOCPPMQW-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000967004453 664454491 /nfs/dbraw/zinc/45/44/91/664454491.db2.gz APSQKBAUVUHZCQ-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(=O)N1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000967200919 664457580 /nfs/dbraw/zinc/45/75/80/664457580.db2.gz TUFXLHUNMMDNLY-CQSZACIVSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000967200919 664457583 /nfs/dbraw/zinc/45/75/83/664457583.db2.gz TUFXLHUNMMDNLY-CQSZACIVSA-N 1 1 310.398 -1.308 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(N3CCN(C(=O)C(N)=O)CC3)C2)C1 ZINC000967246308 664459020 /nfs/dbraw/zinc/45/90/20/664459020.db2.gz YEGSOWNWYQJXEX-NSHDSACASA-N 1 1 323.397 -2.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000967250556 664459521 /nfs/dbraw/zinc/45/95/21/664459521.db2.gz ZDQBIWFCVCYGOV-GFCCVEGCSA-N 1 1 323.397 -2.079 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000967847777 664467182 /nfs/dbraw/zinc/46/71/82/664467182.db2.gz MWKKTQVGEFGNAO-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000967975961 664468738 /nfs/dbraw/zinc/46/87/38/664468738.db2.gz CUTVWZQRWQJKOW-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000968031367 664469681 /nfs/dbraw/zinc/46/96/81/664469681.db2.gz MZXVAUHORGXVIW-JQWIXIFHSA-N 1 1 324.381 -1.606 20 0 DAADMO CCN(C(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C(N)=O)C1 ZINC000968117029 664470214 /nfs/dbraw/zinc/47/02/14/664470214.db2.gz UWXDPKKPEWEJCX-UHFFFAOYSA-N 1 1 323.353 -1.106 20 0 DAADMO CCN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968126586 664470358 /nfs/dbraw/zinc/47/03/58/664470358.db2.gz USMXSSACEQHQRL-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968126586 664470364 /nfs/dbraw/zinc/47/03/64/664470364.db2.gz USMXSSACEQHQRL-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968250086 664473223 /nfs/dbraw/zinc/47/32/23/664473223.db2.gz AXYSVMKIJVSNLS-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC000968303246 664475008 /nfs/dbraw/zinc/47/50/08/664475008.db2.gz RCQBEQDWDZXZJV-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000968373671 664476804 /nfs/dbraw/zinc/47/68/04/664476804.db2.gz ILCIEDZMALNHLB-JQWIXIFHSA-N 1 1 324.381 -1.484 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC000968453169 664477275 /nfs/dbraw/zinc/47/72/75/664477275.db2.gz CIRNHOCMYPFEFV-SECBINFHSA-N 1 1 306.330 -1.497 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000968445517 664477805 /nfs/dbraw/zinc/47/78/05/664477805.db2.gz BNJNCMMZAWZQFJ-GFCCVEGCSA-N 1 1 308.386 -1.162 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000968445834 664477998 /nfs/dbraw/zinc/47/79/98/664477998.db2.gz JXZQOCJQDXBSRY-GFCCVEGCSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC000968453161 664478062 /nfs/dbraw/zinc/47/80/62/664478062.db2.gz CAXZJJOSKWOLJJ-VHSXEESVSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000968445542 664478068 /nfs/dbraw/zinc/47/80/68/664478068.db2.gz CCXZJXFTCXWVOX-LLVKDONJSA-N 1 1 309.374 -1.767 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)nn1 ZINC000968459868 664478352 /nfs/dbraw/zinc/47/83/52/664478352.db2.gz RPXUYVHZBYXCTJ-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC000968462102 664478394 /nfs/dbraw/zinc/47/83/94/664478394.db2.gz ANXAEABDZLRREY-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544678 664480138 /nfs/dbraw/zinc/48/01/38/664480138.db2.gz RXNMYQJDKWGVHE-GXSJLCMTSA-N 1 1 320.353 -1.150 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000968539794 664480224 /nfs/dbraw/zinc/48/02/24/664480224.db2.gz QITMYFPPZXKZEK-MNOVXSKESA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1)c1nnnn1C ZINC000968553482 664480246 /nfs/dbraw/zinc/48/02/46/664480246.db2.gz XQGFWYOKNZAYRZ-DTWKUNHWSA-N 1 1 305.346 -1.096 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968556076 664480382 /nfs/dbraw/zinc/48/03/82/664480382.db2.gz MDOAQSLBSPSNRV-PSASIEDQSA-N 1 1 321.341 -1.193 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1)c1nnnn1C ZINC000968553483 664480495 /nfs/dbraw/zinc/48/04/95/664480495.db2.gz XQGFWYOKNZAYRZ-RKDXNWHRSA-N 1 1 305.346 -1.096 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)o1 ZINC000968572164 664480814 /nfs/dbraw/zinc/48/08/14/664480814.db2.gz MPTWUDJBBWUSQK-SECBINFHSA-N 1 1 306.330 -1.165 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[N@H+](CCO)CC[C@H]2C)c(=O)n1C ZINC000968601884 664481129 /nfs/dbraw/zinc/48/11/29/664481129.db2.gz LMHXEXVWUJAATQ-PWSUYJOCSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000968623258 664481290 /nfs/dbraw/zinc/48/12/90/664481290.db2.gz NFZBRQQAYUVRLI-MXWKQRLJSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000968623258 664481294 /nfs/dbraw/zinc/48/12/94/664481294.db2.gz NFZBRQQAYUVRLI-MXWKQRLJSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627887 664481385 /nfs/dbraw/zinc/48/13/85/664481385.db2.gz PFRRPUOQGSXBCB-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC000968632575 664481516 /nfs/dbraw/zinc/48/15/16/664481516.db2.gz BNWJGPYATMSZFM-SECBINFHSA-N 1 1 305.346 -1.430 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000968623259 664481587 /nfs/dbraw/zinc/48/15/87/664481587.db2.gz NFZBRQQAYUVRLI-VWYCJHECSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000968623259 664481589 /nfs/dbraw/zinc/48/15/89/664481589.db2.gz NFZBRQQAYUVRLI-VWYCJHECSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000968617356 664481631 /nfs/dbraw/zinc/48/16/31/664481631.db2.gz VIXIUBGPOPBQOI-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684323 664482467 /nfs/dbraw/zinc/48/24/67/664482467.db2.gz ABFIGNKXBIVOHB-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684323 664482468 /nfs/dbraw/zinc/48/24/68/664482468.db2.gz ABFIGNKXBIVOHB-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968683526 664482501 /nfs/dbraw/zinc/48/25/01/664482501.db2.gz PBMYUSGOOHNAOA-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)c1nncn1C ZINC000968683684 664482563 /nfs/dbraw/zinc/48/25/63/664482563.db2.gz XAVCWPRTENPULI-VHSXEESVSA-N 1 1 305.346 -1.247 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684322 664482972 /nfs/dbraw/zinc/48/29/72/664482972.db2.gz ABFIGNKXBIVOHB-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000968684322 664482974 /nfs/dbraw/zinc/48/29/74/664482974.db2.gz ABFIGNKXBIVOHB-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968700477 664484000 /nfs/dbraw/zinc/48/40/00/664484000.db2.gz GICMELWPEJSHTJ-GDPRMGEGSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700477 664484002 /nfs/dbraw/zinc/48/40/02/664484002.db2.gz GICMELWPEJSHTJ-GDPRMGEGSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700477 664484004 /nfs/dbraw/zinc/48/40/04/664484004.db2.gz GICMELWPEJSHTJ-GDPRMGEGSA-N 1 1 308.342 -1.942 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1cnn[nH]1 ZINC000968707549 664484858 /nfs/dbraw/zinc/48/48/58/664484858.db2.gz VFBNSDRIFMPHCN-MNOVXSKESA-N 1 1 320.353 -1.798 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968737167 664486101 /nfs/dbraw/zinc/48/61/01/664486101.db2.gz PIIYOZHWEFUZFY-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)c1nnnn1C ZINC000968802224 664486664 /nfs/dbraw/zinc/48/66/64/664486664.db2.gz GVUMUATVIUMCPO-VHSXEESVSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC000968785575 664486666 /nfs/dbraw/zinc/48/66/66/664486666.db2.gz IHRDFKIWQCWCLO-SNVBAGLBSA-N 1 1 313.383 -1.450 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)CC1=O ZINC000968844619 664486947 /nfs/dbraw/zinc/48/69/47/664486947.db2.gz FYVNGROVKBHXLQ-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000968878950 664487588 /nfs/dbraw/zinc/48/75/88/664487588.db2.gz XASLGYZGZPORLR-UTUOFQBUSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC000968895320 664488030 /nfs/dbraw/zinc/48/80/30/664488030.db2.gz BSLBXQKTYGFSIL-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)n1 ZINC000968930324 664488336 /nfs/dbraw/zinc/48/83/36/664488336.db2.gz VMUYLSNBHHIOCU-LLVKDONJSA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC000968952171 664488489 /nfs/dbraw/zinc/48/84/89/664488489.db2.gz CPWIDIJNTRZOMC-SCZZXKLOSA-N 1 1 321.341 -1.896 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC000968946608 664488554 /nfs/dbraw/zinc/48/85/54/664488554.db2.gz KXMORVONIMHXNN-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000968958257 664488644 /nfs/dbraw/zinc/48/86/44/664488644.db2.gz FSISCAMFZKMISV-UMNHJUIQSA-N 1 1 310.358 -1.296 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC000968991125 664489076 /nfs/dbraw/zinc/48/90/76/664489076.db2.gz VXXLLIXYXXNWDX-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC000968991125 664489078 /nfs/dbraw/zinc/48/90/78/664489078.db2.gz VXXLLIXYXXNWDX-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000969008481 664489217 /nfs/dbraw/zinc/48/92/17/664489217.db2.gz SGVWOKRGSLJMGE-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000969008481 664489220 /nfs/dbraw/zinc/48/92/20/664489220.db2.gz SGVWOKRGSLJMGE-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000969038557 664489519 /nfs/dbraw/zinc/48/95/19/664489519.db2.gz YJPBCNCGLRHJCN-MRVPVSSYSA-N 1 1 304.314 -1.290 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000969008479 664489545 /nfs/dbraw/zinc/48/95/45/664489545.db2.gz SGVWOKRGSLJMGE-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000969008479 664489547 /nfs/dbraw/zinc/48/95/47/664489547.db2.gz SGVWOKRGSLJMGE-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000969067281 664489939 /nfs/dbraw/zinc/48/99/39/664489939.db2.gz JONRTIXCQOQQMV-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC000969104878 664490441 /nfs/dbraw/zinc/49/04/41/664490441.db2.gz OZFIJKBOWDKHQB-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001006684830 664491782 /nfs/dbraw/zinc/49/17/82/664491782.db2.gz NLIUYUFWPGJIMV-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001006684830 664491783 /nfs/dbraw/zinc/49/17/83/664491783.db2.gz NLIUYUFWPGJIMV-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001006687565 664491836 /nfs/dbraw/zinc/49/18/36/664491836.db2.gz ZSMJBJJEOBPAAC-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001006687565 664491838 /nfs/dbraw/zinc/49/18/38/664491838.db2.gz ZSMJBJJEOBPAAC-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004595 664493394 /nfs/dbraw/zinc/49/33/94/664493394.db2.gz VLTYKBIQSHXXOC-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004595 664493399 /nfs/dbraw/zinc/49/33/99/664493399.db2.gz VLTYKBIQSHXXOC-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001007001718 664493474 /nfs/dbraw/zinc/49/34/74/664493474.db2.gz MTDHLHHPMGZAAL-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001007001718 664493475 /nfs/dbraw/zinc/49/34/75/664493475.db2.gz MTDHLHHPMGZAAL-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004590 664493612 /nfs/dbraw/zinc/49/36/12/664493612.db2.gz VLTYKBIQSHXXOC-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004590 664493614 /nfs/dbraw/zinc/49/36/14/664493614.db2.gz VLTYKBIQSHXXOC-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165359 664493794 /nfs/dbraw/zinc/49/37/94/664493794.db2.gz GPWHZMPMBBVKOQ-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165359 664493799 /nfs/dbraw/zinc/49/37/99/664493799.db2.gz GPWHZMPMBBVKOQ-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001007202314 664493867 /nfs/dbraw/zinc/49/38/67/664493867.db2.gz FMZDJWFEXWDSRR-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001007202314 664493870 /nfs/dbraw/zinc/49/38/70/664493870.db2.gz FMZDJWFEXWDSRR-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165362 664493879 /nfs/dbraw/zinc/49/38/79/664493879.db2.gz GPWHZMPMBBVKOQ-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165362 664493880 /nfs/dbraw/zinc/49/38/80/664493880.db2.gz GPWHZMPMBBVKOQ-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007155096 664493891 /nfs/dbraw/zinc/49/38/91/664493891.db2.gz JAMAVJBILVVBLR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007155096 664493892 /nfs/dbraw/zinc/49/38/92/664493892.db2.gz JAMAVJBILVVBLR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167765 664493895 /nfs/dbraw/zinc/49/38/95/664493895.db2.gz OGDGWJPAMNQPQQ-UWVGGRQHSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167765 664493896 /nfs/dbraw/zinc/49/38/96/664493896.db2.gz OGDGWJPAMNQPQQ-UWVGGRQHSA-N 1 1 310.358 -1.172 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165367 664493933 /nfs/dbraw/zinc/49/39/33/664493933.db2.gz GPWHZMPMBBVKOQ-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001007165367 664493934 /nfs/dbraw/zinc/49/39/34/664493934.db2.gz GPWHZMPMBBVKOQ-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038610454 664494002 /nfs/dbraw/zinc/49/40/02/664494002.db2.gz KLJLJVLANKBSRH-WDEREUQCSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038610454 664494007 /nfs/dbraw/zinc/49/40/07/664494007.db2.gz KLJLJVLANKBSRH-WDEREUQCSA-N 1 1 320.357 -1.728 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007347778 664494521 /nfs/dbraw/zinc/49/45/21/664494521.db2.gz BIMFXGKZCRCFJR-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007347778 664494522 /nfs/dbraw/zinc/49/45/22/664494522.db2.gz BIMFXGKZCRCFJR-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007370277 664494742 /nfs/dbraw/zinc/49/47/42/664494742.db2.gz YEZQEQIJMJUMQC-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007458564 664495183 /nfs/dbraw/zinc/49/51/83/664495183.db2.gz ZEQFKOPMENEPLG-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007697049 664496777 /nfs/dbraw/zinc/49/67/77/664496777.db2.gz VXDSMGCHXJVTQA-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001007704234 664496823 /nfs/dbraw/zinc/49/68/23/664496823.db2.gz JTYMEFXKSVEOKI-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001007704234 664496826 /nfs/dbraw/zinc/49/68/26/664496826.db2.gz JTYMEFXKSVEOKI-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702334 664496855 /nfs/dbraw/zinc/49/68/55/664496855.db2.gz DFELNGFVWUVKFP-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702334 664496856 /nfs/dbraw/zinc/49/68/56/664496856.db2.gz DFELNGFVWUVKFP-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001007706790 664497271 /nfs/dbraw/zinc/49/72/71/664497271.db2.gz WEMOGNVBKKBNFN-IAQYHMDHSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007774757 664497814 /nfs/dbraw/zinc/49/78/14/664497814.db2.gz KASGKHSMUQYSNZ-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007774757 664497820 /nfs/dbraw/zinc/49/78/20/664497820.db2.gz KASGKHSMUQYSNZ-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832072 664498109 /nfs/dbraw/zinc/49/81/09/664498109.db2.gz KHCVPRPZHJZBSC-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832072 664498112 /nfs/dbraw/zinc/49/81/12/664498112.db2.gz KHCVPRPZHJZBSC-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007834419 664498610 /nfs/dbraw/zinc/49/86/10/664498610.db2.gz VFEFYEIAZBNPNQ-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO NC(=O)CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992499 664498703 /nfs/dbraw/zinc/49/87/03/664498703.db2.gz XNWLLFHHCZQAHC-BTJONVMOSA-N 1 1 322.409 -1.085 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334996 664500969 /nfs/dbraw/zinc/50/09/69/664500969.db2.gz SFDBWTZOTRYMOV-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334996 664500971 /nfs/dbraw/zinc/50/09/71/664500971.db2.gz SFDBWTZOTRYMOV-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334998 664500982 /nfs/dbraw/zinc/50/09/82/664500982.db2.gz SFDBWTZOTRYMOV-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334998 664500983 /nfs/dbraw/zinc/50/09/83/664500983.db2.gz SFDBWTZOTRYMOV-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001008368868 664501088 /nfs/dbraw/zinc/50/10/88/664501088.db2.gz DFLKTBMWYQXAER-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001008368868 664501091 /nfs/dbraw/zinc/50/10/91/664501091.db2.gz DFLKTBMWYQXAER-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334983 664501161 /nfs/dbraw/zinc/50/11/61/664501161.db2.gz SFDBWTZOTRYMOV-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334983 664501162 /nfs/dbraw/zinc/50/11/62/664501162.db2.gz SFDBWTZOTRYMOV-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001008375159 664501560 /nfs/dbraw/zinc/50/15/60/664501560.db2.gz QDEVWNMKJYXRRX-GHMZBOCLSA-N 1 1 307.358 -1.460 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001008381729 664501824 /nfs/dbraw/zinc/50/18/24/664501824.db2.gz YJDKLYJGHLVKNU-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001008375377 664501854 /nfs/dbraw/zinc/50/18/54/664501854.db2.gz QTIZMMOWCBKWRR-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008738263 664504074 /nfs/dbraw/zinc/50/40/74/664504074.db2.gz RIBYERQGWYNIPI-QWRGUYRKSA-N 1 1 324.381 -1.341 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008891762 664504700 /nfs/dbraw/zinc/50/47/00/664504700.db2.gz JGVVNCIBNHDXAZ-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008891762 664504703 /nfs/dbraw/zinc/50/47/03/664504703.db2.gz JGVVNCIBNHDXAZ-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861366 664504779 /nfs/dbraw/zinc/50/47/79/664504779.db2.gz IYMWQZHNFULJGX-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861366 664504780 /nfs/dbraw/zinc/50/47/80/664504780.db2.gz IYMWQZHNFULJGX-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001008911298 664505046 /nfs/dbraw/zinc/50/50/46/664505046.db2.gz VHNMHEAOCXNOED-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001008911298 664505047 /nfs/dbraw/zinc/50/50/47/664505047.db2.gz VHNMHEAOCXNOED-WISYIIOYSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001009063227 664505439 /nfs/dbraw/zinc/50/54/39/664505439.db2.gz KHIIKHYWVBNRJN-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC001009135183 664505656 /nfs/dbraw/zinc/50/56/56/664505656.db2.gz WXBWQVABZGFPFU-UWVGGRQHSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009138941 664505721 /nfs/dbraw/zinc/50/57/21/664505721.db2.gz BPNKOUJDWKIQMD-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CCCN(CCN2CCNC2=O)C1 ZINC001009138941 664505724 /nfs/dbraw/zinc/50/57/24/664505724.db2.gz BPNKOUJDWKIQMD-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009138941 664505730 /nfs/dbraw/zinc/50/57/30/664505730.db2.gz BPNKOUJDWKIQMD-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009138942 664505772 /nfs/dbraw/zinc/50/57/72/664505772.db2.gz BPNKOUJDWKIQMD-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CCCN(CCN2CCNC2=O)C1 ZINC001009138942 664505773 /nfs/dbraw/zinc/50/57/73/664505773.db2.gz BPNKOUJDWKIQMD-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009138942 664505775 /nfs/dbraw/zinc/50/57/75/664505775.db2.gz BPNKOUJDWKIQMD-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001009202971 664506010 /nfs/dbraw/zinc/50/60/10/664506010.db2.gz LGXZIMQLQVZXCH-SECBINFHSA-N 1 1 306.326 -1.396 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001009206911 664506064 /nfs/dbraw/zinc/50/60/64/664506064.db2.gz ZRPDSLFTBRJQRO-JTQLQIEISA-N 1 1 320.353 -1.006 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001009202973 664506146 /nfs/dbraw/zinc/50/61/46/664506146.db2.gz LGXZIMQLQVZXCH-VIFPVBQESA-N 1 1 306.326 -1.396 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206925 664506238 /nfs/dbraw/zinc/50/62/38/664506238.db2.gz ZYBGRXZUVCJFCC-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001009229668 664506489 /nfs/dbraw/zinc/50/64/89/664506489.db2.gz UOHPPRHYCFBVKN-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001009446503 664507951 /nfs/dbraw/zinc/50/79/51/664507951.db2.gz VBUSVQGQYNRQDF-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001009446503 664507952 /nfs/dbraw/zinc/50/79/52/664507952.db2.gz VBUSVQGQYNRQDF-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009443950 664507955 /nfs/dbraw/zinc/50/79/55/664507955.db2.gz KLZJRNYSEWJMTC-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450213 664508153 /nfs/dbraw/zinc/50/81/53/664508153.db2.gz AAULJYPXHHNCIN-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450213 664508156 /nfs/dbraw/zinc/50/81/56/664508156.db2.gz AAULJYPXHHNCIN-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456729 664508442 /nfs/dbraw/zinc/50/84/42/664508442.db2.gz GCGSYXDQRBXHOW-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456729 664508444 /nfs/dbraw/zinc/50/84/44/664508444.db2.gz GCGSYXDQRBXHOW-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009638479 664509422 /nfs/dbraw/zinc/50/94/22/664509422.db2.gz STTQCCIOABXDOH-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050078 664511951 /nfs/dbraw/zinc/51/19/51/664511951.db2.gz JBIWRXRELLPHTB-PSASIEDQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050078 664511954 /nfs/dbraw/zinc/51/19/54/664511954.db2.gz JBIWRXRELLPHTB-PSASIEDQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001010077702 664512133 /nfs/dbraw/zinc/51/21/33/664512133.db2.gz IFULKOCSKIMJIA-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001010078067 664512297 /nfs/dbraw/zinc/51/22/97/664512297.db2.gz ITJBXHQZFOKJKJ-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001010105556 664512437 /nfs/dbraw/zinc/51/24/37/664512437.db2.gz JXRQCVFESINASO-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001010081118 664512459 /nfs/dbraw/zinc/51/24/59/664512459.db2.gz RUPCGAAYYUJKGG-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)cc1=O ZINC001010081990 664512773 /nfs/dbraw/zinc/51/27/73/664512773.db2.gz BLIBXOHEUXRQKU-LBPRGKRZSA-N 1 1 317.353 -1.238 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001010081117 664512853 /nfs/dbraw/zinc/51/28/53/664512853.db2.gz RUPCGAAYYUJKGG-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001010105547 664512889 /nfs/dbraw/zinc/51/28/89/664512889.db2.gz JXRQCVFESINASO-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)cn1 ZINC001010079220 664512923 /nfs/dbraw/zinc/51/29/23/664512923.db2.gz MRHOJGGVYQUGET-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC001010129502 664513079 /nfs/dbraw/zinc/51/30/79/664513079.db2.gz XJSVXABNOGCHJU-NSHDSACASA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC001010129502 664513080 /nfs/dbraw/zinc/51/30/80/664513080.db2.gz XJSVXABNOGCHJU-NSHDSACASA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001010368843 664514974 /nfs/dbraw/zinc/51/49/74/664514974.db2.gz HINCOGUVKCBGIV-GHMZBOCLSA-N 1 1 308.386 -1.107 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010381563 664515284 /nfs/dbraw/zinc/51/52/84/664515284.db2.gz UCZOPRZISVGWMN-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001010383730 664515417 /nfs/dbraw/zinc/51/54/17/664515417.db2.gz YGBPYOHFAGKVTJ-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1cnnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425077 664515580 /nfs/dbraw/zinc/51/55/80/664515580.db2.gz AIETWVWQSQQAEB-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425077 664515582 /nfs/dbraw/zinc/51/55/82/664515582.db2.gz AIETWVWQSQQAEB-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010416033 664515693 /nfs/dbraw/zinc/51/56/93/664515693.db2.gz MSOKWVHZDKRPSH-GHMZBOCLSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010416033 664515694 /nfs/dbraw/zinc/51/56/94/664515694.db2.gz MSOKWVHZDKRPSH-GHMZBOCLSA-N 1 1 305.338 -1.052 20 0 DAADMO Cn1nncc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426685 664515709 /nfs/dbraw/zinc/51/57/09/664515709.db2.gz IYAHZEXNDJCUOP-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426685 664515711 /nfs/dbraw/zinc/51/57/11/664515711.db2.gz IYAHZEXNDJCUOP-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426084 664515753 /nfs/dbraw/zinc/51/57/53/664515753.db2.gz GWZVRTGKTOBEHX-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426084 664515754 /nfs/dbraw/zinc/51/57/54/664515754.db2.gz GWZVRTGKTOBEHX-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010669631 664516970 /nfs/dbraw/zinc/51/69/70/664516970.db2.gz OECVPWBAMULSKY-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010669631 664516971 /nfs/dbraw/zinc/51/69/71/664516971.db2.gz OECVPWBAMULSKY-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010669625 664517033 /nfs/dbraw/zinc/51/70/33/664517033.db2.gz OECVPWBAMULSKY-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010669625 664517037 /nfs/dbraw/zinc/51/70/37/664517037.db2.gz OECVPWBAMULSKY-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001010670389 664517189 /nfs/dbraw/zinc/51/71/89/664517189.db2.gz QDLVITYJCWHKAI-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001010670389 664517191 /nfs/dbraw/zinc/51/71/91/664517191.db2.gz QDLVITYJCWHKAI-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010677631 664517447 /nfs/dbraw/zinc/51/74/47/664517447.db2.gz YDDJGPUXXINGFS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010677631 664517451 /nfs/dbraw/zinc/51/74/51/664517451.db2.gz YDDJGPUXXINGFS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010687741 664517634 /nfs/dbraw/zinc/51/76/34/664517634.db2.gz FNUFFOSLACTNNV-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010687741 664517635 /nfs/dbraw/zinc/51/76/35/664517635.db2.gz FNUFFOSLACTNNV-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010687740 664517807 /nfs/dbraw/zinc/51/78/07/664517807.db2.gz FNUFFOSLACTNNV-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010687740 664517810 /nfs/dbraw/zinc/51/78/10/664517810.db2.gz FNUFFOSLACTNNV-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696608 664518018 /nfs/dbraw/zinc/51/80/18/664518018.db2.gz HZAACVNXDZBJPQ-ONGXEEELSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696608 664518022 /nfs/dbraw/zinc/51/80/22/664518022.db2.gz HZAACVNXDZBJPQ-ONGXEEELSA-N 1 1 322.369 -1.159 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010696951 664518039 /nfs/dbraw/zinc/51/80/39/664518039.db2.gz ILNIVESCLUOMMC-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010696951 664518042 /nfs/dbraw/zinc/51/80/42/664518042.db2.gz ILNIVESCLUOMMC-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697270 664518104 /nfs/dbraw/zinc/51/81/04/664518104.db2.gz JLIITVKCZUDJSB-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697270 664518106 /nfs/dbraw/zinc/51/81/06/664518106.db2.gz JLIITVKCZUDJSB-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010697393 664518112 /nfs/dbraw/zinc/51/81/12/664518112.db2.gz KDDRCQAZGKXIMR-SNVBAGLBSA-N 1 1 306.330 -1.534 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001010699079 664518382 /nfs/dbraw/zinc/51/83/82/664518382.db2.gz QTPOZKLIGPCBRR-NXEZZACHSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001010699079 664518384 /nfs/dbraw/zinc/51/83/84/664518384.db2.gz QTPOZKLIGPCBRR-NXEZZACHSA-N 1 1 308.342 -1.547 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001010727863 664518925 /nfs/dbraw/zinc/51/89/25/664518925.db2.gz ZPOLREDDPJPTDX-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771853 664519098 /nfs/dbraw/zinc/51/90/98/664519098.db2.gz DKFXHAUPVOEGSI-BDAKNGLRSA-N 1 1 322.321 -1.412 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771853 664519099 /nfs/dbraw/zinc/51/90/99/664519099.db2.gz DKFXHAUPVOEGSI-BDAKNGLRSA-N 1 1 322.321 -1.412 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010781188 664519151 /nfs/dbraw/zinc/51/91/51/664519151.db2.gz PXHNWTBUALMBHP-CYBMUJFWSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1=O ZINC001010783551 664519160 /nfs/dbraw/zinc/51/91/60/664519160.db2.gz OXXYMJOHCXOEAV-SNVBAGLBSA-N 1 1 323.353 -1.192 20 0 DAADMO Cn1oc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771854 664519179 /nfs/dbraw/zinc/51/91/79/664519179.db2.gz DKFXHAUPVOEGSI-DTWKUNHWSA-N 1 1 322.321 -1.412 20 0 DAADMO Cn1oc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771854 664519181 /nfs/dbraw/zinc/51/91/81/664519181.db2.gz DKFXHAUPVOEGSI-DTWKUNHWSA-N 1 1 322.321 -1.412 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001010762557 664519352 /nfs/dbraw/zinc/51/93/52/664519352.db2.gz ZEOMKTZZKUNSTP-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC001010762557 664519353 /nfs/dbraw/zinc/51/93/53/664519353.db2.gz ZEOMKTZZKUNSTP-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784647 664519496 /nfs/dbraw/zinc/51/94/96/664519496.db2.gz PXNUUWYWLDGZTB-NWDGAFQWSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784647 664519499 /nfs/dbraw/zinc/51/94/99/664519499.db2.gz PXNUUWYWLDGZTB-NWDGAFQWSA-N 1 1 322.365 -1.540 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCN(C(=O)CC(N)=O)CC2)no1 ZINC001010811506 664520039 /nfs/dbraw/zinc/52/00/39/664520039.db2.gz KVAPFKRJBKRKNV-UHFFFAOYSA-N 1 1 323.353 -1.104 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001010833737 664520809 /nfs/dbraw/zinc/52/08/09/664520809.db2.gz AGOPNQUHVSWXID-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001010879617 664521621 /nfs/dbraw/zinc/52/16/21/664521621.db2.gz ZZCRIEFZTRVQET-GFCCVEGCSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001010879617 664521623 /nfs/dbraw/zinc/52/16/23/664521623.db2.gz ZZCRIEFZTRVQET-GFCCVEGCSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001010873618 664521678 /nfs/dbraw/zinc/52/16/78/664521678.db2.gz AKSMQJSXIDHBQG-NSHDSACASA-N 1 1 323.357 -2.326 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001010873618 664521683 /nfs/dbraw/zinc/52/16/83/664521683.db2.gz AKSMQJSXIDHBQG-NSHDSACASA-N 1 1 323.357 -2.326 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001010880854 664521861 /nfs/dbraw/zinc/52/18/61/664521861.db2.gz QUYWTGOLSQJDJX-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001010880854 664521865 /nfs/dbraw/zinc/52/18/65/664521865.db2.gz QUYWTGOLSQJDJX-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001010881247 664521923 /nfs/dbraw/zinc/52/19/23/664521923.db2.gz WAAGHMJYTFJLQM-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001010881247 664521924 /nfs/dbraw/zinc/52/19/24/664521924.db2.gz WAAGHMJYTFJLQM-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1cc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001010873898 664521953 /nfs/dbraw/zinc/52/19/53/664521953.db2.gz CGJHAIKOQZHLSE-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1cc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001010873898 664521955 /nfs/dbraw/zinc/52/19/55/664521955.db2.gz CGJHAIKOQZHLSE-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001010876474 664521990 /nfs/dbraw/zinc/52/19/90/664521990.db2.gz ILNIVESCLUOMMC-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001010876474 664521994 /nfs/dbraw/zinc/52/19/94/664521994.db2.gz ILNIVESCLUOMMC-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001010878671 664522047 /nfs/dbraw/zinc/52/20/47/664522047.db2.gz QHIHMBSLBJAKHE-RQJABVFESA-N 1 1 323.393 -1.120 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001010878671 664522053 /nfs/dbraw/zinc/52/20/53/664522053.db2.gz QHIHMBSLBJAKHE-RQJABVFESA-N 1 1 323.393 -1.120 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001010874250 664522097 /nfs/dbraw/zinc/52/20/97/664522097.db2.gz BUQCGSDIWWIIIO-LLVKDONJSA-N 1 1 322.369 -1.272 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001010874250 664522103 /nfs/dbraw/zinc/52/21/03/664522103.db2.gz BUQCGSDIWWIIIO-LLVKDONJSA-N 1 1 322.369 -1.272 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001011077482 664525063 /nfs/dbraw/zinc/52/50/63/664525063.db2.gz YFONUAHCEXGWSR-QWRGUYRKSA-N 1 1 310.354 -1.283 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001011159611 664526410 /nfs/dbraw/zinc/52/64/10/664526410.db2.gz ZJZHDHVYAVIOLT-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001011158847 664526483 /nfs/dbraw/zinc/52/64/83/664526483.db2.gz HKHVIDCFADZHGF-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001011159012 664526546 /nfs/dbraw/zinc/52/65/46/664526546.db2.gz LJVDSHCVZASBLK-LLVKDONJSA-N 1 1 306.370 -1.030 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001011159012 664526549 /nfs/dbraw/zinc/52/65/49/664526549.db2.gz LJVDSHCVZASBLK-LLVKDONJSA-N 1 1 306.370 -1.030 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001011159012 664526554 /nfs/dbraw/zinc/52/65/54/664526554.db2.gz LJVDSHCVZASBLK-LLVKDONJSA-N 1 1 306.370 -1.030 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001011159898 664526613 /nfs/dbraw/zinc/52/66/13/664526613.db2.gz IEGLNWOSTMZZOT-GFCCVEGCSA-N 1 1 306.370 -1.099 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC001011158641 664526637 /nfs/dbraw/zinc/52/66/37/664526637.db2.gz BMYCJDYXAZLWGR-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1)C1CCC1 ZINC001011176833 664526817 /nfs/dbraw/zinc/52/68/17/664526817.db2.gz UBJDFZHQOSNGPN-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001011163630 664526939 /nfs/dbraw/zinc/52/69/39/664526939.db2.gz VEICZLRSGSSIOR-GFCCVEGCSA-N 1 1 319.365 -1.002 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001011208850 664527278 /nfs/dbraw/zinc/52/72/78/664527278.db2.gz RYQKYMCJRDRZTH-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001011405743 664529544 /nfs/dbraw/zinc/52/95/44/664529544.db2.gz VVRVZYGBQWQWNO-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001011404825 664529583 /nfs/dbraw/zinc/52/95/83/664529583.db2.gz RKRYXILADHLEHF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCN(C(=O)C(N)=O)CC2)no1 ZINC001011366574 664529680 /nfs/dbraw/zinc/52/96/80/664529680.db2.gz PKLWWKHCAHYZKR-UHFFFAOYSA-N 1 1 309.326 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001011574473 664531434 /nfs/dbraw/zinc/53/14/34/664531434.db2.gz FQVDAJBMWDQKEO-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001011648115 664532336 /nfs/dbraw/zinc/53/23/36/664532336.db2.gz QTDKHIXCTYFCMP-LLVKDONJSA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001011900255 664535299 /nfs/dbraw/zinc/53/52/99/664535299.db2.gz VYJAKLVHMGCNHN-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001012290793 664541055 /nfs/dbraw/zinc/54/10/55/664541055.db2.gz PBDATZCKZFRHFE-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)CC2 ZINC001012267947 664541066 /nfs/dbraw/zinc/54/10/66/664541066.db2.gz BOZHRWIISDZNNH-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)CC2 ZINC001012267945 664541073 /nfs/dbraw/zinc/54/10/73/664541073.db2.gz BOZHRWIISDZNNH-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC001013240413 664547341 /nfs/dbraw/zinc/54/73/41/664547341.db2.gz NWXLYPAOGBDMST-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395123 664553665 /nfs/dbraw/zinc/55/36/65/664553665.db2.gz HYYSPFIHSPOQPD-ZYHUDNBSSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395123 664553667 /nfs/dbraw/zinc/55/36/67/664553667.db2.gz HYYSPFIHSPOQPD-ZYHUDNBSSA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)cn1 ZINC001014425964 664554022 /nfs/dbraw/zinc/55/40/22/664554022.db2.gz FONRHZJOUNMYJE-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425305 664554161 /nfs/dbraw/zinc/55/41/61/664554161.db2.gz DNNCVKUOPLVGOP-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425305 664554165 /nfs/dbraw/zinc/55/41/65/664554165.db2.gz DNNCVKUOPLVGOP-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014429897 664554178 /nfs/dbraw/zinc/55/41/78/664554178.db2.gz QTQNSNMXZYMORF-JTQLQIEISA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014427278 664554185 /nfs/dbraw/zinc/55/41/85/664554185.db2.gz JHKPMAVZERFCBA-DTWKUNHWSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014427278 664554189 /nfs/dbraw/zinc/55/41/89/664554189.db2.gz JHKPMAVZERFCBA-DTWKUNHWSA-N 1 1 307.314 -2.331 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014425106 664554274 /nfs/dbraw/zinc/55/42/74/664554274.db2.gz CUGRMGCJTJZNMB-NSHDSACASA-N 1 1 304.358 -1.160 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001014432530 664554610 /nfs/dbraw/zinc/55/46/10/664554610.db2.gz ZCTIHTNNOXBIKV-QWRGUYRKSA-N 1 1 307.354 -1.055 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431815 664554760 /nfs/dbraw/zinc/55/47/60/664554760.db2.gz VRZNVOSOEXWVGQ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431815 664554761 /nfs/dbraw/zinc/55/47/61/664554761.db2.gz VRZNVOSOEXWVGQ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001014432526 664554772 /nfs/dbraw/zinc/55/47/72/664554772.db2.gz ZCTIHTNNOXBIKV-MNOVXSKESA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014446796 664555013 /nfs/dbraw/zinc/55/50/13/664555013.db2.gz JMWHONQLESBNKX-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000270186946 664555066 /nfs/dbraw/zinc/55/50/66/664555066.db2.gz DLYLVZYQLDHMSD-VIFPVBQESA-N 1 1 311.342 -2.089 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014447892 664555100 /nfs/dbraw/zinc/55/51/00/664555100.db2.gz QYVFLFQSAKEHOZ-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014489259 664555261 /nfs/dbraw/zinc/55/52/61/664555261.db2.gz BYUOJMGIYMUUDS-RKDXNWHRSA-N 1 1 321.341 -2.544 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014489259 664555263 /nfs/dbraw/zinc/55/52/63/664555263.db2.gz BYUOJMGIYMUUDS-RKDXNWHRSA-N 1 1 321.341 -2.544 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014489257 664555368 /nfs/dbraw/zinc/55/53/68/664555368.db2.gz BYUOJMGIYMUUDS-DTWKUNHWSA-N 1 1 321.341 -2.544 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001014489257 664555370 /nfs/dbraw/zinc/55/53/70/664555370.db2.gz BYUOJMGIYMUUDS-DTWKUNHWSA-N 1 1 321.341 -2.544 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489222 664555448 /nfs/dbraw/zinc/55/54/48/664555448.db2.gz BWMXCVCHMVBGHC-HTQZYQBOSA-N 1 1 309.330 -2.559 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489222 664555449 /nfs/dbraw/zinc/55/54/49/664555449.db2.gz BWMXCVCHMVBGHC-HTQZYQBOSA-N 1 1 309.330 -2.559 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501876 664555490 /nfs/dbraw/zinc/55/54/90/664555490.db2.gz LGZFDRSMYRQAHP-DTWKUNHWSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501876 664555492 /nfs/dbraw/zinc/55/54/92/664555492.db2.gz LGZFDRSMYRQAHP-DTWKUNHWSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501875 664555614 /nfs/dbraw/zinc/55/56/14/664555614.db2.gz LGZFDRSMYRQAHP-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501875 664555615 /nfs/dbraw/zinc/55/56/15/664555615.db2.gz LGZFDRSMYRQAHP-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014570069 664555831 /nfs/dbraw/zinc/55/58/31/664555831.db2.gz DBFMVTVSMMPUFZ-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014566161 664555907 /nfs/dbraw/zinc/55/59/07/664555907.db2.gz OTLQJIJTKSAGRP-UWVGGRQHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014566161 664555909 /nfs/dbraw/zinc/55/59/09/664555909.db2.gz OTLQJIJTKSAGRP-UWVGGRQHSA-N 1 1 306.326 -1.726 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623212 664556110 /nfs/dbraw/zinc/55/61/10/664556110.db2.gz BDDRIUOIPGXOLZ-UWVGGRQHSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623212 664556113 /nfs/dbraw/zinc/55/61/13/664556113.db2.gz BDDRIUOIPGXOLZ-UWVGGRQHSA-N 1 1 323.353 -2.389 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014624830 664556175 /nfs/dbraw/zinc/55/61/75/664556175.db2.gz CAKPWEKJHWQITG-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001014623159 664556217 /nfs/dbraw/zinc/55/62/17/664556217.db2.gz AIDUZQZUHCYQRD-NSHDSACASA-N 1 1 310.354 -1.880 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643290 664556830 /nfs/dbraw/zinc/55/68/30/664556830.db2.gz NNFXZFRUOKQGKF-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014742808 664557199 /nfs/dbraw/zinc/55/71/99/664557199.db2.gz WCKQUWIIYPOOSW-MNOVXSKESA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014742808 664557200 /nfs/dbraw/zinc/55/72/00/664557200.db2.gz WCKQUWIIYPOOSW-MNOVXSKESA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014743067 664557261 /nfs/dbraw/zinc/55/72/61/664557261.db2.gz YZFCMKALZLHELH-LBPRGKRZSA-N 1 1 322.369 -1.673 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCCNC1=O ZINC001014820253 664558100 /nfs/dbraw/zinc/55/81/00/664558100.db2.gz BHTJIMZIXQPIJK-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840235 664558326 /nfs/dbraw/zinc/55/83/26/664558326.db2.gz QJJYQFDFHMNOTE-ZJUUUORDSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840235 664558328 /nfs/dbraw/zinc/55/83/28/664558328.db2.gz QJJYQFDFHMNOTE-ZJUUUORDSA-N 1 1 319.321 -1.209 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003296 664558820 /nfs/dbraw/zinc/55/88/20/664558820.db2.gz HGMBXHUGPAVDKI-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003296 664558821 /nfs/dbraw/zinc/55/88/21/664558821.db2.gz HGMBXHUGPAVDKI-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1=O ZINC001014999051 664558877 /nfs/dbraw/zinc/55/88/77/664558877.db2.gz GETAFRQBZPTPGZ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1=O ZINC001014999052 664559017 /nfs/dbraw/zinc/55/90/17/664559017.db2.gz GETAFRQBZPTPGZ-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014993515 664559052 /nfs/dbraw/zinc/55/90/52/664559052.db2.gz ACBIGGCHNNSBSM-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C2)c1=O ZINC001015002328 664559100 /nfs/dbraw/zinc/55/91/00/664559100.db2.gz AQAPEEFUZSGDAW-LBPRGKRZSA-N 1 1 319.369 -1.331 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999456 664559180 /nfs/dbraw/zinc/55/91/80/664559180.db2.gz JITRFJUAHSMTDP-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999456 664559183 /nfs/dbraw/zinc/55/91/83/664559183.db2.gz JITRFJUAHSMTDP-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015007803 664559343 /nfs/dbraw/zinc/55/93/43/664559343.db2.gz HKXJESZQGIVXDK-NSHDSACASA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015007803 664559344 /nfs/dbraw/zinc/55/93/44/664559344.db2.gz HKXJESZQGIVXDK-NSHDSACASA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001015007055 664559395 /nfs/dbraw/zinc/55/93/95/664559395.db2.gz DLDRJWOHEJGKFS-GFCCVEGCSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001015007055 664559397 /nfs/dbraw/zinc/55/93/97/664559397.db2.gz DLDRJWOHEJGKFS-GFCCVEGCSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)c1=O ZINC001015008831 664559462 /nfs/dbraw/zinc/55/94/62/664559462.db2.gz LIEYDOYKRKXNGS-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)c1=O ZINC001015008831 664559464 /nfs/dbraw/zinc/55/94/64/664559464.db2.gz LIEYDOYKRKXNGS-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)c1=O ZINC001015008348 664559577 /nfs/dbraw/zinc/55/95/77/664559577.db2.gz JNJGDXNVKBUWEJ-NSHDSACASA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)c1=O ZINC001015008348 664559581 /nfs/dbraw/zinc/55/95/81/664559581.db2.gz JNJGDXNVKBUWEJ-NSHDSACASA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1=O ZINC001015009476 664559634 /nfs/dbraw/zinc/55/96/34/664559634.db2.gz NVHQKOIFEMWQPY-RYUDHWBXSA-N 1 1 309.370 -1.191 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cn[nH]n1 ZINC001015057076 664559833 /nfs/dbraw/zinc/55/98/33/664559833.db2.gz GJHBUFUGFJOTSD-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057076 664559835 /nfs/dbraw/zinc/55/98/35/664559835.db2.gz GJHBUFUGFJOTSD-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057076 664559837 /nfs/dbraw/zinc/55/98/37/664559837.db2.gz GJHBUFUGFJOTSD-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015079923 664559853 /nfs/dbraw/zinc/55/98/53/664559853.db2.gz DDZQRJCHXGFVPC-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015079923 664559856 /nfs/dbraw/zinc/55/98/56/664559856.db2.gz DDZQRJCHXGFVPC-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046071 664559949 /nfs/dbraw/zinc/55/99/49/664559949.db2.gz YKXZYCHRBAVUMG-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046071 664559950 /nfs/dbraw/zinc/55/99/50/664559950.db2.gz YKXZYCHRBAVUMG-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001015062076 664560024 /nfs/dbraw/zinc/56/00/24/664560024.db2.gz PJZNMTLJMJDVFZ-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001015062076 664560025 /nfs/dbraw/zinc/56/00/25/664560025.db2.gz PJZNMTLJMJDVFZ-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001015062076 664560026 /nfs/dbraw/zinc/56/00/26/664560026.db2.gz PJZNMTLJMJDVFZ-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081406 664560647 /nfs/dbraw/zinc/56/06/47/664560647.db2.gz NHBHVKXGWXWRCR-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081406 664560648 /nfs/dbraw/zinc/56/06/48/664560648.db2.gz NHBHVKXGWXWRCR-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015136590 664560847 /nfs/dbraw/zinc/56/08/47/664560847.db2.gz CTHYNKIYKXEMPC-ZJUUUORDSA-N 1 1 321.337 -1.972 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015136590 664560849 /nfs/dbraw/zinc/56/08/49/664560849.db2.gz CTHYNKIYKXEMPC-ZJUUUORDSA-N 1 1 321.337 -1.972 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139649 664560859 /nfs/dbraw/zinc/56/08/59/664560859.db2.gz JOCPHRGNWCYGEL-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139649 664560861 /nfs/dbraw/zinc/56/08/61/664560861.db2.gz JOCPHRGNWCYGEL-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328602 664561875 /nfs/dbraw/zinc/56/18/75/664561875.db2.gz JMSUTOCFVANDTF-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328602 664561876 /nfs/dbraw/zinc/56/18/76/664561876.db2.gz JMSUTOCFVANDTF-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015291873 664561991 /nfs/dbraw/zinc/56/19/91/664561991.db2.gz XAKJGWNIEDYTQZ-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO NC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015323874 664562072 /nfs/dbraw/zinc/56/20/72/664562072.db2.gz LUAQVNYRDVVNOF-WVIDZAQPSA-N 1 1 308.382 -1.475 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015290812 664562088 /nfs/dbraw/zinc/56/20/88/664562088.db2.gz PFJUHGNYBZUIJQ-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CNC(=O)C1 ZINC001015373692 664562375 /nfs/dbraw/zinc/56/23/75/664562375.db2.gz UEFPUMDDLFRCRO-RISCZKNCSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CNC(=O)C1 ZINC001015374190 664562439 /nfs/dbraw/zinc/56/24/39/664562439.db2.gz ANBBVJYRSLOMDP-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330988 664562489 /nfs/dbraw/zinc/56/24/89/664562489.db2.gz XPZXLDWYNDBGMK-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330988 664562490 /nfs/dbraw/zinc/56/24/90/664562490.db2.gz XPZXLDWYNDBGMK-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376375 664562615 /nfs/dbraw/zinc/56/26/15/664562615.db2.gz MYOLCTJXFJCBLX-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376375 664562616 /nfs/dbraw/zinc/56/26/16/664562616.db2.gz MYOLCTJXFJCBLX-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CNC(=O)C1 ZINC001015373690 664562630 /nfs/dbraw/zinc/56/26/30/664562630.db2.gz UEFPUMDDLFRCRO-FZMZJTMJSA-N 1 1 306.370 -1.005 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)C2)nn1-c1nc[nH]n1 ZINC001015456769 664562821 /nfs/dbraw/zinc/56/28/21/664562821.db2.gz OCIFPQFFOUXBIB-WCBMZHEXSA-N 1 1 320.357 -1.121 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376378 664562838 /nfs/dbraw/zinc/56/28/38/664562838.db2.gz MYOLCTJXFJCBLX-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376378 664562839 /nfs/dbraw/zinc/56/28/39/664562839.db2.gz MYOLCTJXFJCBLX-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1csnn1 ZINC001015426265 664562945 /nfs/dbraw/zinc/56/29/45/664562945.db2.gz JNPLCPYCUBDMTG-QMMMGPOBSA-N 1 1 324.366 -1.106 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1csnn1 ZINC001015426265 664562947 /nfs/dbraw/zinc/56/29/47/664562947.db2.gz JNPLCPYCUBDMTG-QMMMGPOBSA-N 1 1 324.366 -1.106 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001015456835 664563108 /nfs/dbraw/zinc/56/31/08/664563108.db2.gz PBZSZPQIOSCJBS-SECBINFHSA-N 1 1 306.330 -1.510 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)C2)nn1-c1nc[nH]n1 ZINC001015456766 664563115 /nfs/dbraw/zinc/56/31/15/664563115.db2.gz OCIFPQFFOUXBIB-SCZZXKLOSA-N 1 1 320.357 -1.121 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001015501438 664563276 /nfs/dbraw/zinc/56/32/76/664563276.db2.gz AOCRDJKXNCYDTC-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001015501438 664563280 /nfs/dbraw/zinc/56/32/80/664563280.db2.gz AOCRDJKXNCYDTC-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015487306 664563393 /nfs/dbraw/zinc/56/33/93/664563393.db2.gz LHGHDKQAEOLTTQ-WPRPVWTQSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015487306 664563394 /nfs/dbraw/zinc/56/33/94/664563394.db2.gz LHGHDKQAEOLTTQ-WPRPVWTQSA-N 1 1 321.337 -1.822 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015507426 664563415 /nfs/dbraw/zinc/56/34/15/664563415.db2.gz CRXJMPIPLROTSR-LBPRGKRZSA-N 1 1 321.385 -2.100 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001015507126 664563485 /nfs/dbraw/zinc/56/34/85/664563485.db2.gz BHYVAPYKCUHWKD-ZDUSSCGKSA-N 1 1 320.397 -1.495 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508168 664563501 /nfs/dbraw/zinc/56/35/01/664563501.db2.gz HKVMAWYORVXNLC-QWRGUYRKSA-N 1 1 311.386 -2.257 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508168 664563503 /nfs/dbraw/zinc/56/35/03/664563503.db2.gz HKVMAWYORVXNLC-QWRGUYRKSA-N 1 1 311.386 -2.257 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501424 664563620 /nfs/dbraw/zinc/56/36/20/664563620.db2.gz AHRQVFOLHZHQRN-NEPJUHHUSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501424 664563622 /nfs/dbraw/zinc/56/36/22/664563622.db2.gz AHRQVFOLHZHQRN-NEPJUHHUSA-N 1 1 324.381 -1.828 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001015489812 664563643 /nfs/dbraw/zinc/56/36/43/664563643.db2.gz VICBGVBGSQAKMS-SECBINFHSA-N 1 1 321.341 -1.531 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015489812 664563645 /nfs/dbraw/zinc/56/36/45/664563645.db2.gz VICBGVBGSQAKMS-SECBINFHSA-N 1 1 321.341 -1.531 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001015511056 664563770 /nfs/dbraw/zinc/56/37/70/664563770.db2.gz VEAVMZFGRCNWIY-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509677 664563796 /nfs/dbraw/zinc/56/37/96/664563796.db2.gz PUGDSMUMCBBCCQ-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509677 664563798 /nfs/dbraw/zinc/56/37/98/664563798.db2.gz PUGDSMUMCBBCCQ-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015509646 664563943 /nfs/dbraw/zinc/56/39/43/664563943.db2.gz OZXFLZZQJIFINV-VXGBXAGGSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015509646 664563951 /nfs/dbraw/zinc/56/39/51/664563951.db2.gz OZXFLZZQJIFINV-VXGBXAGGSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015509643 664564040 /nfs/dbraw/zinc/56/40/40/664564040.db2.gz OZXFLZZQJIFINV-NEPJUHHUSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015509643 664564042 /nfs/dbraw/zinc/56/40/42/664564042.db2.gz OZXFLZZQJIFINV-NEPJUHHUSA-N 1 1 323.397 -2.113 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)NC1=O ZINC001015511756 664564071 /nfs/dbraw/zinc/56/40/71/664564071.db2.gz YMMKCHZRNWVSMW-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509672 664564113 /nfs/dbraw/zinc/56/41/13/664564113.db2.gz PUGDSMUMCBBCCQ-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509672 664564114 /nfs/dbraw/zinc/56/41/14/664564114.db2.gz PUGDSMUMCBBCCQ-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCNC1=O ZINC001015517730 664564308 /nfs/dbraw/zinc/56/43/08/664564308.db2.gz FKCVQGPXQZVEEA-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015554866 664565154 /nfs/dbraw/zinc/56/51/54/664565154.db2.gz AQLJUGZCDVVTIO-VIFPVBQESA-N 1 1 321.341 -1.837 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015554866 664565155 /nfs/dbraw/zinc/56/51/55/664565155.db2.gz AQLJUGZCDVVTIO-VIFPVBQESA-N 1 1 321.341 -1.837 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001015556523 664565288 /nfs/dbraw/zinc/56/52/88/664565288.db2.gz IKRNPTRYXQADKG-QWRGUYRKSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015554900 664565349 /nfs/dbraw/zinc/56/53/49/664565349.db2.gz RJPVOWXANFLSMZ-LLVKDONJSA-N 1 1 304.358 -1.010 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015571444 664565503 /nfs/dbraw/zinc/56/55/03/664565503.db2.gz XLGCCVMUOYTRLI-MEWQQHAOSA-N 1 1 322.365 -1.379 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015602344 664565531 /nfs/dbraw/zinc/56/55/31/664565531.db2.gz SDGORYRSQDSRQL-LLVKDONJSA-N 1 1 321.337 -1.041 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1=O ZINC001015565615 664565603 /nfs/dbraw/zinc/56/56/03/664565603.db2.gz DFRDKHQPMROPLL-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1=O ZINC001015565610 664565689 /nfs/dbraw/zinc/56/56/89/664565689.db2.gz DFRDKHQPMROPLL-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622669 664565770 /nfs/dbraw/zinc/56/57/70/664565770.db2.gz JBIHPTNPPPKGEP-WPRPVWTQSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622669 664565772 /nfs/dbraw/zinc/56/57/72/664565772.db2.gz JBIHPTNPPPKGEP-WPRPVWTQSA-N 1 1 319.321 -1.621 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633849 664566021 /nfs/dbraw/zinc/56/60/21/664566021.db2.gz JKRMHKXYSYHKPC-PWSUYJOCSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001015634847 664566066 /nfs/dbraw/zinc/56/60/66/664566066.db2.gz OMGBFXRAOZHNTK-VXGBXAGGSA-N 1 1 306.370 -1.166 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633835 664566258 /nfs/dbraw/zinc/56/62/58/664566258.db2.gz JETODMOGAJLRCA-GXSJLCMTSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633835 664566259 /nfs/dbraw/zinc/56/62/59/664566259.db2.gz JETODMOGAJLRCA-GXSJLCMTSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658551 664566561 /nfs/dbraw/zinc/56/65/61/664566561.db2.gz PPRVAAOYPRPWPH-PSASIEDQSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658551 664566562 /nfs/dbraw/zinc/56/65/62/664566562.db2.gz PPRVAAOYPRPWPH-PSASIEDQSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)[nH]c1=O ZINC001015657964 664566601 /nfs/dbraw/zinc/56/66/01/664566601.db2.gz DFUIYODWABRBKQ-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCNC1=O ZINC001015695343 664566835 /nfs/dbraw/zinc/56/68/35/664566835.db2.gz JFILNBHQIJYWRJ-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCC(=O)N1 ZINC001015668488 664566850 /nfs/dbraw/zinc/56/68/50/664566850.db2.gz JHWUREALVCHPDN-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015682477 664566854 /nfs/dbraw/zinc/56/68/54/664566854.db2.gz TUWNWUDGCILOQW-MRVPVSSYSA-N 1 1 317.371 -1.492 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015681915 664566876 /nfs/dbraw/zinc/56/68/76/664566876.db2.gz OFMIWBRFOGVGGM-JGVFFNPUSA-N 1 1 317.371 -1.758 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015682478 664566961 /nfs/dbraw/zinc/56/69/61/664566961.db2.gz TUWNWUDGCILOQW-QMMMGPOBSA-N 1 1 317.371 -1.492 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)O1 ZINC001015697169 664566998 /nfs/dbraw/zinc/56/69/98/664566998.db2.gz MDFZZTYPQPENFF-GRYCIOLGSA-N 1 1 322.369 -1.499 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015761802 664567187 /nfs/dbraw/zinc/56/71/87/664567187.db2.gz MMAVDEOXTLZVCW-SNVBAGLBSA-N 1 1 320.353 -1.306 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccnnc1 ZINC001015751509 664567491 /nfs/dbraw/zinc/56/74/91/664567491.db2.gz YOKNIRBGRSUJLO-NSHDSACASA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccnnc1 ZINC001015751509 664567492 /nfs/dbraw/zinc/56/74/92/664567492.db2.gz YOKNIRBGRSUJLO-NSHDSACASA-N 1 1 318.337 -1.168 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@H+](CCF)C2)C1=O ZINC001015790185 664567737 /nfs/dbraw/zinc/56/77/37/664567737.db2.gz DNRYEQOMLNDDJV-QMMMGPOBSA-N 1 1 300.290 -1.433 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCF)C2)C1=O ZINC001015790185 664567739 /nfs/dbraw/zinc/56/77/39/664567739.db2.gz DNRYEQOMLNDDJV-QMMMGPOBSA-N 1 1 300.290 -1.433 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788869 664567747 /nfs/dbraw/zinc/56/77/47/664567747.db2.gz LQOSWKOBMOUZPG-QWRGUYRKSA-N 1 1 324.381 -1.077 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015788830 664567844 /nfs/dbraw/zinc/56/78/44/664567844.db2.gz KFTLLTZVOLQPIQ-SNVBAGLBSA-N 1 1 306.326 -1.926 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015790203 664567883 /nfs/dbraw/zinc/56/78/83/664567883.db2.gz ZBMRUSNLAMLNPO-QWRGUYRKSA-N 1 1 320.353 -1.538 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015790204 664567897 /nfs/dbraw/zinc/56/78/97/664567897.db2.gz ZBMRUSNLAMLNPO-WDEREUQCSA-N 1 1 320.353 -1.538 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015789188 664567951 /nfs/dbraw/zinc/56/79/51/664567951.db2.gz OHWXOLCHULGTGC-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1=O ZINC001015787550 664568013 /nfs/dbraw/zinc/56/80/13/664568013.db2.gz YIULFUGOFKALPE-SECBINFHSA-N 1 1 312.326 -2.020 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015834789 664568195 /nfs/dbraw/zinc/56/81/95/664568195.db2.gz LONNYXQTSWICAM-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822862 664568211 /nfs/dbraw/zinc/56/82/11/664568211.db2.gz NDYRJSSKMNXUJM-NEPJUHHUSA-N 1 1 324.385 -1.250 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001015831165 664568221 /nfs/dbraw/zinc/56/82/21/664568221.db2.gz NLIJXKUWUKVEEH-OPASDULOSA-N 1 1 310.354 -1.189 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015813162 664568335 /nfs/dbraw/zinc/56/83/35/664568335.db2.gz LPCCKSOWEVCPCJ-NXEZZACHSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015813162 664568337 /nfs/dbraw/zinc/56/83/37/664568337.db2.gz LPCCKSOWEVCPCJ-NXEZZACHSA-N 1 1 309.374 -1.139 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842469 664568661 /nfs/dbraw/zinc/56/86/61/664568661.db2.gz MSNUTUKEYZASKS-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842469 664568662 /nfs/dbraw/zinc/56/86/62/664568662.db2.gz MSNUTUKEYZASKS-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864836 664568687 /nfs/dbraw/zinc/56/86/87/664568687.db2.gz JDGSYLNLVSWWPX-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864836 664568689 /nfs/dbraw/zinc/56/86/89/664568689.db2.gz JDGSYLNLVSWWPX-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015864686 664568694 /nfs/dbraw/zinc/56/86/94/664568694.db2.gz GEXRKKIBJLUTAC-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015864686 664568696 /nfs/dbraw/zinc/56/86/96/664568696.db2.gz GEXRKKIBJLUTAC-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836981 664568738 /nfs/dbraw/zinc/56/87/38/664568738.db2.gz MJCIAYKHRYSWFQ-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836981 664568739 /nfs/dbraw/zinc/56/87/39/664568739.db2.gz MJCIAYKHRYSWFQ-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)C1CC(=O)NC(=O)C1 ZINC001015841133 664568812 /nfs/dbraw/zinc/56/88/12/664568812.db2.gz FMVWTSJMCDDZTJ-NSHDSACASA-N 1 1 320.353 -1.479 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842468 664568953 /nfs/dbraw/zinc/56/89/53/664568953.db2.gz MSNUTUKEYZASKS-GXSJLCMTSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842468 664568954 /nfs/dbraw/zinc/56/89/54/664568954.db2.gz MSNUTUKEYZASKS-GXSJLCMTSA-N 1 1 324.381 -1.294 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842974 664569016 /nfs/dbraw/zinc/56/90/16/664569016.db2.gz URILEZXEJLFTHN-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842974 664569017 /nfs/dbraw/zinc/56/90/17/664569017.db2.gz URILEZXEJLFTHN-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864519 664569024 /nfs/dbraw/zinc/56/90/24/664569024.db2.gz AXTZYTYBQVSPID-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864519 664569025 /nfs/dbraw/zinc/56/90/25/664569025.db2.gz AXTZYTYBQVSPID-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncccn1 ZINC001015885172 664569315 /nfs/dbraw/zinc/56/93/15/664569315.db2.gz JEQBJIGVHADTIV-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncccn1 ZINC001015885172 664569316 /nfs/dbraw/zinc/56/93/16/664569316.db2.gz JEQBJIGVHADTIV-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1nnc[nH]1 ZINC001015873362 664569380 /nfs/dbraw/zinc/56/93/80/664569380.db2.gz UVCXRYBIQRMBNK-QWRGUYRKSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccncn1 ZINC001015877675 664569557 /nfs/dbraw/zinc/56/95/57/664569557.db2.gz OFPVYGMXPOURNA-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccncn1 ZINC001015877675 664569558 /nfs/dbraw/zinc/56/95/58/664569558.db2.gz OFPVYGMXPOURNA-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015967306 664569866 /nfs/dbraw/zinc/56/98/66/664569866.db2.gz GMWMZWXLDPKQAC-IUCAKERBSA-N 1 1 306.326 -1.657 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015967306 664569868 /nfs/dbraw/zinc/56/98/68/664569868.db2.gz GMWMZWXLDPKQAC-IUCAKERBSA-N 1 1 306.326 -1.657 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015949175 664569874 /nfs/dbraw/zinc/56/98/74/664569874.db2.gz LGFZEKWWCHTDID-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015949175 664569876 /nfs/dbraw/zinc/56/98/76/664569876.db2.gz LGFZEKWWCHTDID-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015923743 664569904 /nfs/dbraw/zinc/56/99/04/664569904.db2.gz AZEKZNIUMXHBNK-ONGXEEELSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015923743 664569906 /nfs/dbraw/zinc/56/99/06/664569906.db2.gz AZEKZNIUMXHBNK-ONGXEEELSA-N 1 1 321.337 -1.084 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015949176 664569996 /nfs/dbraw/zinc/56/99/96/664569996.db2.gz LGFZEKWWCHTDID-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015949176 664569997 /nfs/dbraw/zinc/56/99/97/664569997.db2.gz LGFZEKWWCHTDID-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015967307 664570079 /nfs/dbraw/zinc/57/00/79/664570079.db2.gz GMWMZWXLDPKQAC-RKDXNWHRSA-N 1 1 306.326 -1.657 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015967307 664570080 /nfs/dbraw/zinc/57/00/80/664570080.db2.gz GMWMZWXLDPKQAC-RKDXNWHRSA-N 1 1 306.326 -1.657 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956532 664570144 /nfs/dbraw/zinc/57/01/44/664570144.db2.gz DRXFZVUASCZULD-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015957088 664570169 /nfs/dbraw/zinc/57/01/69/664570169.db2.gz NUIPITFBUZZJDZ-GFCCVEGCSA-N 1 1 323.397 -1.046 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970107 664570182 /nfs/dbraw/zinc/57/01/82/664570182.db2.gz ISXYTECGIPJXJW-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970107 664570183 /nfs/dbraw/zinc/57/01/83/664570183.db2.gz ISXYTECGIPJXJW-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970107 664570184 /nfs/dbraw/zinc/57/01/84/664570184.db2.gz ISXYTECGIPJXJW-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001016058013 664570679 /nfs/dbraw/zinc/57/06/79/664570679.db2.gz OIAJOLWLCQRDIP-NEPJUHHUSA-N 1 1 319.365 -1.369 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001016058013 664570680 /nfs/dbraw/zinc/57/06/80/664570680.db2.gz OIAJOLWLCQRDIP-NEPJUHHUSA-N 1 1 319.365 -1.369 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC001016056201 664570741 /nfs/dbraw/zinc/57/07/41/664570741.db2.gz GDERLKCBRUZSSM-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC001016056201 664570744 /nfs/dbraw/zinc/57/07/44/664570744.db2.gz GDERLKCBRUZSSM-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001016048258 664570774 /nfs/dbraw/zinc/57/07/74/664570774.db2.gz XDQZPEGOOUDESV-GHMZBOCLSA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001016048258 664570776 /nfs/dbraw/zinc/57/07/76/664570776.db2.gz XDQZPEGOOUDESV-GHMZBOCLSA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)c(=O)n1C ZINC001016141747 664571055 /nfs/dbraw/zinc/57/10/55/664571055.db2.gz QPAPBEDINHWOAS-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)c(=O)n1C ZINC001016141747 664571057 /nfs/dbraw/zinc/57/10/57/664571057.db2.gz QPAPBEDINHWOAS-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140247 664571123 /nfs/dbraw/zinc/57/11/23/664571123.db2.gz GQMICQWGIBQBHZ-GHMZBOCLSA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140247 664571124 /nfs/dbraw/zinc/57/11/24/664571124.db2.gz GQMICQWGIBQBHZ-GHMZBOCLSA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140564 664571166 /nfs/dbraw/zinc/57/11/66/664571166.db2.gz JEKDZKFXACCMPX-WPRPVWTQSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140564 664571167 /nfs/dbraw/zinc/57/11/67/664571167.db2.gz JEKDZKFXACCMPX-WPRPVWTQSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140249 664571224 /nfs/dbraw/zinc/57/12/24/664571224.db2.gz GQMICQWGIBQBHZ-MNOVXSKESA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140249 664571226 /nfs/dbraw/zinc/57/12/26/664571226.db2.gz GQMICQWGIBQBHZ-MNOVXSKESA-N 1 1 322.369 -2.031 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001016182317 664571349 /nfs/dbraw/zinc/57/13/49/664571349.db2.gz OQLBAWLKURWSHY-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001016182317 664571352 /nfs/dbraw/zinc/57/13/52/664571352.db2.gz OQLBAWLKURWSHY-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199149 664571367 /nfs/dbraw/zinc/57/13/67/664571367.db2.gz HIANRCNBNDSSRE-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199149 664571369 /nfs/dbraw/zinc/57/13/69/664571369.db2.gz HIANRCNBNDSSRE-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016182021 664571404 /nfs/dbraw/zinc/57/14/04/664571404.db2.gz MEKUMXUGEWZUDP-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016182021 664571405 /nfs/dbraw/zinc/57/14/05/664571405.db2.gz MEKUMXUGEWZUDP-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001016189130 664571442 /nfs/dbraw/zinc/57/14/42/664571442.db2.gz XABSKYJVAQBXHH-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)ccc1=O ZINC001016180723 664571481 /nfs/dbraw/zinc/57/14/81/664571481.db2.gz JLUJECHDAPXCOY-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)ccc1=O ZINC001016180723 664571482 /nfs/dbraw/zinc/57/14/82/664571482.db2.gz JLUJECHDAPXCOY-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)ccc1=O ZINC001016180724 664571497 /nfs/dbraw/zinc/57/14/97/664571497.db2.gz JLUJECHDAPXCOY-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)ccc1=O ZINC001016180724 664571498 /nfs/dbraw/zinc/57/14/98/664571498.db2.gz JLUJECHDAPXCOY-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016173516 664571500 /nfs/dbraw/zinc/57/15/00/664571500.db2.gz HJEIMXJUAWBCGM-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001016187085 664571516 /nfs/dbraw/zinc/57/15/16/664571516.db2.gz LDUHZTMWQPVQNW-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189544 664571519 /nfs/dbraw/zinc/57/15/19/664571519.db2.gz BWGXRMWRDVZKHM-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189544 664571520 /nfs/dbraw/zinc/57/15/20/664571520.db2.gz BWGXRMWRDVZKHM-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016173514 664571529 /nfs/dbraw/zinc/57/15/29/664571529.db2.gz HJEIMXJUAWBCGM-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189549 664571589 /nfs/dbraw/zinc/57/15/89/664571589.db2.gz BWGXRMWRDVZKHM-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189549 664571590 /nfs/dbraw/zinc/57/15/90/664571590.db2.gz BWGXRMWRDVZKHM-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001016192230 664571658 /nfs/dbraw/zinc/57/16/58/664571658.db2.gz GXXUKAXUGVJZDQ-LLVKDONJSA-N 1 1 307.358 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200326 664571769 /nfs/dbraw/zinc/57/17/69/664571769.db2.gz UNXLZCXQMACHEK-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200326 664571771 /nfs/dbraw/zinc/57/17/71/664571771.db2.gz UNXLZCXQMACHEK-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016201946 664571937 /nfs/dbraw/zinc/57/19/37/664571937.db2.gz KKBARIOEBZEDDX-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016201946 664571938 /nfs/dbraw/zinc/57/19/38/664571938.db2.gz KKBARIOEBZEDDX-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016200135 664571950 /nfs/dbraw/zinc/57/19/50/664571950.db2.gz RSLFTZRVDBGQCE-SNVBAGLBSA-N 1 1 321.341 -1.980 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001016200129 664572094 /nfs/dbraw/zinc/57/20/94/664572094.db2.gz RORRDEQLUMTYJF-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001016200129 664572095 /nfs/dbraw/zinc/57/20/95/664572095.db2.gz RORRDEQLUMTYJF-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001016228848 664572555 /nfs/dbraw/zinc/57/25/55/664572555.db2.gz MTXCOMNAPHPIAM-MCIGGMRASA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240052 664572700 /nfs/dbraw/zinc/57/27/00/664572700.db2.gz OMHAIICWBLEJOC-NWDGAFQWSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240052 664572703 /nfs/dbraw/zinc/57/27/03/664572703.db2.gz OMHAIICWBLEJOC-NWDGAFQWSA-N 1 1 319.427 -1.712 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001016247162 664572920 /nfs/dbraw/zinc/57/29/20/664572920.db2.gz SUMRUBZNZYJRIF-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001016247162 664572922 /nfs/dbraw/zinc/57/29/22/664572922.db2.gz SUMRUBZNZYJRIF-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240053 664572969 /nfs/dbraw/zinc/57/29/69/664572969.db2.gz OMHAIICWBLEJOC-RYUDHWBXSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240053 664572971 /nfs/dbraw/zinc/57/29/71/664572971.db2.gz OMHAIICWBLEJOC-RYUDHWBXSA-N 1 1 319.427 -1.712 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CC(=O)N3CCOCC3)C2)C1 ZINC001016256614 664573048 /nfs/dbraw/zinc/57/30/48/664573048.db2.gz RZFBCUKCPCSYPK-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239131 664573107 /nfs/dbraw/zinc/57/31/07/664573107.db2.gz IBSKZKNWTBMWMC-RKDXNWHRSA-N 1 1 323.353 -1.576 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239131 664573110 /nfs/dbraw/zinc/57/31/10/664573110.db2.gz IBSKZKNWTBMWMC-RKDXNWHRSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255908 664573133 /nfs/dbraw/zinc/57/31/33/664573133.db2.gz OUDJWRHINOSSFB-ZJUUUORDSA-N 1 1 317.353 -1.269 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255908 664573135 /nfs/dbraw/zinc/57/31/35/664573135.db2.gz OUDJWRHINOSSFB-ZJUUUORDSA-N 1 1 317.353 -1.269 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c[nH]1 ZINC001016273143 664573446 /nfs/dbraw/zinc/57/34/46/664573446.db2.gz QPRGXYUWSYIAOS-GXSJLCMTSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c[nH]1 ZINC001016273143 664573448 /nfs/dbraw/zinc/57/34/48/664573448.db2.gz QPRGXYUWSYIAOS-GXSJLCMTSA-N 1 1 305.338 -1.194 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308312 664573487 /nfs/dbraw/zinc/57/34/87/664573487.db2.gz ZEVAVYPXFAFBRV-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308312 664573488 /nfs/dbraw/zinc/57/34/88/664573488.db2.gz ZEVAVYPXFAFBRV-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016284744 664573546 /nfs/dbraw/zinc/57/35/46/664573546.db2.gz UVFHMIHMPQCHCA-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016284744 664573547 /nfs/dbraw/zinc/57/35/47/664573547.db2.gz UVFHMIHMPQCHCA-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016284743 664573638 /nfs/dbraw/zinc/57/36/38/664573638.db2.gz UVFHMIHMPQCHCA-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016284743 664573640 /nfs/dbraw/zinc/57/36/40/664573640.db2.gz UVFHMIHMPQCHCA-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341085 664573765 /nfs/dbraw/zinc/57/37/65/664573765.db2.gz IEXHPAKXSDRODG-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341680 664573878 /nfs/dbraw/zinc/57/38/78/664573878.db2.gz TZXJGNLWIBCOGL-GHMZBOCLSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001016342049 664573940 /nfs/dbraw/zinc/57/39/40/664573940.db2.gz ZDEROUMDGGLDTG-WDEREUQCSA-N 1 1 322.369 -1.396 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354852 664574292 /nfs/dbraw/zinc/57/42/92/664574292.db2.gz QVNPVSDIZKRUDJ-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354852 664574293 /nfs/dbraw/zinc/57/42/93/664574293.db2.gz QVNPVSDIZKRUDJ-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016425912 664574361 /nfs/dbraw/zinc/57/43/61/664574361.db2.gz AYJLOQYMHOSVPS-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016425912 664574362 /nfs/dbraw/zinc/57/43/62/664574362.db2.gz AYJLOQYMHOSVPS-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)Cn2cnnn2)C1 ZINC001016529355 664575376 /nfs/dbraw/zinc/57/53/76/664575376.db2.gz UJFYEISQYMSJCP-UNXYVOJBSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2nnn(C)n2)C1 ZINC001016532339 664575403 /nfs/dbraw/zinc/57/54/03/664575403.db2.gz LORDQTQMIJFZPG-KPPDAEKUSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)Cn2ncnn2)C1 ZINC001016525758 664575440 /nfs/dbraw/zinc/57/54/40/664575440.db2.gz CBESQCHWHITFJB-VOMCLLRMSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016950437 664579236 /nfs/dbraw/zinc/57/92/36/664579236.db2.gz MQSPYJBGWPHESY-VQXHTEKXSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016950437 664579238 /nfs/dbraw/zinc/57/92/38/664579238.db2.gz MQSPYJBGWPHESY-VQXHTEKXSA-N 1 1 312.370 -1.702 20 0 DAADMO CN(C(=O)C(N)=O)C1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001016951079 664579533 /nfs/dbraw/zinc/57/95/33/664579533.db2.gz VJAHDNZQHUFDNR-UHFFFAOYSA-N 1 1 323.353 -1.059 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCNC1=O ZINC001017044288 664580180 /nfs/dbraw/zinc/58/01/80/664580180.db2.gz RQIREWHHSYVYQR-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)CC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001017080066 664580379 /nfs/dbraw/zinc/58/03/79/664580379.db2.gz BRJXGLARBZMNKM-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001017201217 664580477 /nfs/dbraw/zinc/58/04/77/664580477.db2.gz ZCOWANHKBFTSGK-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001017201215 664580623 /nfs/dbraw/zinc/58/06/23/664580623.db2.gz ZCOWANHKBFTSGK-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017355992 664580960 /nfs/dbraw/zinc/58/09/60/664580960.db2.gz AVDRAPMIDLOZSL-LLVKDONJSA-N 1 1 310.354 -1.923 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017355992 664580961 /nfs/dbraw/zinc/58/09/61/664580961.db2.gz AVDRAPMIDLOZSL-LLVKDONJSA-N 1 1 310.354 -1.923 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)C1 ZINC001017357275 664580971 /nfs/dbraw/zinc/58/09/71/664580971.db2.gz UYGLJVSUVACCHI-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)C1 ZINC001017357275 664580972 /nfs/dbraw/zinc/58/09/72/664580972.db2.gz UYGLJVSUVACCHI-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017492997 664581327 /nfs/dbraw/zinc/58/13/27/664581327.db2.gz UESAIWBNBASLKX-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017492997 664581332 /nfs/dbraw/zinc/58/13/32/664581332.db2.gz UESAIWBNBASLKX-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)O1 ZINC001017545589 664581868 /nfs/dbraw/zinc/58/18/68/664581868.db2.gz LCWWBMCBXSAPEC-ZYHUDNBSSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)O1 ZINC001017545589 664581870 /nfs/dbraw/zinc/58/18/70/664581870.db2.gz LCWWBMCBXSAPEC-ZYHUDNBSSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001017571520 664582060 /nfs/dbraw/zinc/58/20/60/664582060.db2.gz PSIQRWMKIXPGQY-GARJFASQSA-N 1 1 322.369 -1.567 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001017737653 664582601 /nfs/dbraw/zinc/58/26/01/664582601.db2.gz PQHLYLVPEDXJIN-JQWIXIFHSA-N 1 1 308.382 -1.056 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001017687896 664582686 /nfs/dbraw/zinc/58/26/86/664582686.db2.gz VPINJFFJXKVKIW-SDDRHHMPSA-N 1 1 309.370 -1.362 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001017794967 664583162 /nfs/dbraw/zinc/58/31/62/664583162.db2.gz QQUMQJBJDAJWAR-RWMBFGLXSA-N 1 1 310.398 -1.526 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001017794214 664583266 /nfs/dbraw/zinc/58/32/66/664583266.db2.gz IESOGWYQQLDWHY-BETUJISGSA-N 1 1 310.398 -1.260 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001017794214 664583271 /nfs/dbraw/zinc/58/32/71/664583271.db2.gz IESOGWYQQLDWHY-BETUJISGSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001018007368 664584194 /nfs/dbraw/zinc/58/41/94/664584194.db2.gz KRUVZTLSFTZZOK-MMWGEVLESA-N 1 1 310.354 -1.360 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O ZINC001018149142 664584976 /nfs/dbraw/zinc/58/49/76/664584976.db2.gz HALXQTLPFRNNEB-UTUOFQBUSA-N 1 1 324.381 -1.016 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001018247872 664585208 /nfs/dbraw/zinc/58/52/08/664585208.db2.gz UYHCDVKPDQVWTQ-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001018247872 664585211 /nfs/dbraw/zinc/58/52/11/664585211.db2.gz UYHCDVKPDQVWTQ-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001018281886 664585388 /nfs/dbraw/zinc/58/53/88/664585388.db2.gz IVZDRCHLVXVOIF-YFKTTZPYSA-N 1 1 317.411 -1.266 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001018481103 664587107 /nfs/dbraw/zinc/58/71/07/664587107.db2.gz IPVKCKDZFHMCQY-BDAKNGLRSA-N 1 1 306.334 -1.852 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001018686455 664588741 /nfs/dbraw/zinc/58/87/41/664588741.db2.gz HGDYHTHWEORRKL-UWVGGRQHSA-N 1 1 320.353 -1.267 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001018649413 664588868 /nfs/dbraw/zinc/58/88/68/664588868.db2.gz VUVYPLISTDIRFR-VIFPVBQESA-N 1 1 308.342 -1.626 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)n1 ZINC001018741280 664589134 /nfs/dbraw/zinc/58/91/34/664589134.db2.gz KDWCWTIDPMZUMW-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001018742743 664589294 /nfs/dbraw/zinc/58/92/94/664589294.db2.gz ANXAEABDZLRREY-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001018747378 664589384 /nfs/dbraw/zinc/58/93/84/664589384.db2.gz CRZOBYDMHAYJQQ-IUCAKERBSA-N 1 1 321.345 -1.541 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001018743116 664589443 /nfs/dbraw/zinc/58/94/43/664589443.db2.gz FXGQXDWANHUVFP-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001018733760 664589471 /nfs/dbraw/zinc/58/94/71/664589471.db2.gz ZBAGXLDNZBMQAI-LBPRGKRZSA-N 1 1 308.386 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001018742745 664589580 /nfs/dbraw/zinc/58/95/80/664589580.db2.gz ANXAEABDZLRREY-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC001018768903 664589909 /nfs/dbraw/zinc/58/99/09/664589909.db2.gz BMGILKKFDSJHHI-LBPRGKRZSA-N 1 1 306.370 -1.016 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001018810329 664590246 /nfs/dbraw/zinc/59/02/46/664590246.db2.gz WJQJADUMMZRIKQ-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001018824571 664590278 /nfs/dbraw/zinc/59/02/78/664590278.db2.gz BNWJGPYATMSZFM-VIFPVBQESA-N 1 1 305.346 -1.430 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnnn2C)C1)c1nnnn1C ZINC001018795470 664590558 /nfs/dbraw/zinc/59/05/58/664590558.db2.gz XQGFWYOKNZAYRZ-IUCAKERBSA-N 1 1 305.346 -1.096 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)o1 ZINC001018807079 664590577 /nfs/dbraw/zinc/59/05/77/664590577.db2.gz MPTWUDJBBWUSQK-VIFPVBQESA-N 1 1 306.330 -1.165 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018850128 664590803 /nfs/dbraw/zinc/59/08/03/664590803.db2.gz PBMYUSGOOHNAOA-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001018851558 664590983 /nfs/dbraw/zinc/59/09/83/664590983.db2.gz RUJRJPPBDNBJIJ-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018850545 664591021 /nfs/dbraw/zinc/59/10/21/664591021.db2.gz XNHMJTSCVBSSPM-NSHDSACASA-N 1 1 319.373 -1.016 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)CC1=O ZINC001018934109 664591536 /nfs/dbraw/zinc/59/15/36/664591536.db2.gz FYVNGROVKBHXLQ-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018904929 664591652 /nfs/dbraw/zinc/59/16/52/664591652.db2.gz KDPGZSJAPQOCOC-JTQLQIEISA-N 1 1 313.383 -1.450 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)[nH]1 ZINC001018906633 664591744 /nfs/dbraw/zinc/59/17/44/664591744.db2.gz YBESTKGNBWWXGM-JTQLQIEISA-N 1 1 313.383 -1.152 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)CC1=O ZINC001018934108 664591841 /nfs/dbraw/zinc/59/18/41/664591841.db2.gz FYVNGROVKBHXLQ-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001018934651 664591887 /nfs/dbraw/zinc/59/18/87/664591887.db2.gz VSVYKQBOIBLNSP-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC001018974172 664592057 /nfs/dbraw/zinc/59/20/57/664592057.db2.gz ARFOKZAIGONGGS-NSHDSACASA-N 1 1 322.369 -1.636 20 0 DAADMO CC[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CCNC1=O ZINC001018990584 664592782 /nfs/dbraw/zinc/59/27/82/664592782.db2.gz MMNWYDGPIVJMJC-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)n1 ZINC001018987337 664592805 /nfs/dbraw/zinc/59/28/05/664592805.db2.gz NUCVRCPROWTSGC-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001018984044 664592819 /nfs/dbraw/zinc/59/28/19/664592819.db2.gz PPGCUQIZLFOIID-UWVGGRQHSA-N 1 1 318.337 -1.235 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001018987316 664592841 /nfs/dbraw/zinc/59/28/41/664592841.db2.gz MXRLBKOUQQYQMU-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001018987304 664593016 /nfs/dbraw/zinc/59/30/16/664593016.db2.gz MOZPVSODYAWZTH-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001019047645 664593432 /nfs/dbraw/zinc/59/34/32/664593432.db2.gz IRBWGGLDSSOSII-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063332 664594090 /nfs/dbraw/zinc/59/40/90/664594090.db2.gz MXSWVSMMAJHFNT-JTQLQIEISA-N 1 1 320.357 -1.899 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCCNC3=O)C2)n1 ZINC001019086056 664594362 /nfs/dbraw/zinc/59/43/62/664594362.db2.gz JBQZASJLPXCOPX-NSHDSACASA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001019183047 664595373 /nfs/dbraw/zinc/59/53/73/664595373.db2.gz WBMGKJIGMSBRPH-TVQRCGJNSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233351 664595846 /nfs/dbraw/zinc/59/58/46/664595846.db2.gz OMEDBEXNRQPDKE-LBPRGKRZSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233142 664595913 /nfs/dbraw/zinc/59/59/13/664595913.db2.gz GBXIYKYMNZBREJ-NSHDSACASA-N 1 1 321.385 -2.063 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001019228938 664596053 /nfs/dbraw/zinc/59/60/53/664596053.db2.gz OKVYUFYNPYPWAT-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001019239516 664596446 /nfs/dbraw/zinc/59/64/46/664596446.db2.gz VHAKFKZTGMIBMQ-UWVGGRQHSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001019239578 664596463 /nfs/dbraw/zinc/59/64/63/664596463.db2.gz YJLKXERSSQIUKE-QMMMGPOBSA-N 1 1 306.330 -1.347 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019233456 664596505 /nfs/dbraw/zinc/59/65/05/664596505.db2.gz UKIJGFXLDNXNOG-LBPRGKRZSA-N 1 1 318.381 -1.401 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC001019240194 664596598 /nfs/dbraw/zinc/59/65/98/664596598.db2.gz BBVGBYJNMSCBDV-UWVGGRQHSA-N 1 1 307.358 -1.471 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019234778 664596601 /nfs/dbraw/zinc/59/66/01/664596601.db2.gz SMUBMRNMBDZFEU-JTQLQIEISA-N 1 1 324.410 -1.340 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)c1nnnn1C ZINC001019318431 664598099 /nfs/dbraw/zinc/59/80/99/664598099.db2.gz UQGKMFDVPWVUEJ-BDAKNGLRSA-N 1 1 307.358 -1.273 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001019308732 664598229 /nfs/dbraw/zinc/59/82/29/664598229.db2.gz FRHIURMQFKBKEL-GXSJLCMTSA-N 1 1 307.358 -1.330 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC001019315468 664598234 /nfs/dbraw/zinc/59/82/34/664598234.db2.gz DOAGMDQDXGAMQD-QWRGUYRKSA-N 1 1 322.369 -1.510 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019308819 664598353 /nfs/dbraw/zinc/59/83/53/664598353.db2.gz HUHMKLLAUPZRHZ-WDEREUQCSA-N 1 1 321.385 -1.022 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019356305 664599399 /nfs/dbraw/zinc/59/93/99/664599399.db2.gz KWYUBHLYKUXKDG-GHMZBOCLSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001019376913 664600504 /nfs/dbraw/zinc/60/05/04/664600504.db2.gz DEKMPYBXKXNIJH-GARJFASQSA-N 1 1 322.369 -1.462 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001019377277 664600534 /nfs/dbraw/zinc/60/05/34/664600534.db2.gz UESPPBLUUMUVPQ-ZMLRMANQSA-N 1 1 322.369 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444034 664600859 /nfs/dbraw/zinc/60/08/59/664600859.db2.gz FRDRRBCRRKYHQA-YUMQZZPRSA-N 1 1 322.329 -2.501 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)[nH]1 ZINC001019444101 664600875 /nfs/dbraw/zinc/60/08/75/664600875.db2.gz IIDQMTIJQOMKNP-IUCAKERBSA-N 1 1 321.341 -1.598 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019442289 664601076 /nfs/dbraw/zinc/60/10/76/664601076.db2.gz JWXFDOZDMLJQMC-UWVGGRQHSA-N 1 1 307.310 -1.037 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001019504485 664601677 /nfs/dbraw/zinc/60/16/77/664601677.db2.gz PIILVWAYBXIUGW-ZJUUUORDSA-N 1 1 307.358 -1.431 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)[nH]1 ZINC001019508793 664601682 /nfs/dbraw/zinc/60/16/82/664601682.db2.gz UOWBGYVIRYQIRI-JTQLQIEISA-N 1 1 320.353 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001019570014 664602741 /nfs/dbraw/zinc/60/27/41/664602741.db2.gz IKLKACFMDAIPLA-VIFPVBQESA-N 1 1 318.341 -1.359 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001019557954 664602869 /nfs/dbraw/zinc/60/28/69/664602869.db2.gz XCWNJWHUTKDYHP-ZJUUUORDSA-N 1 1 320.361 -1.462 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001019678958 664603741 /nfs/dbraw/zinc/60/37/41/664603741.db2.gz HIHHGIBVBWBEFK-UTLUCORTSA-N 1 1 307.358 -1.260 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001019748032 664603941 /nfs/dbraw/zinc/60/39/41/664603941.db2.gz MMGOBYBCEKJALI-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001019741208 664604018 /nfs/dbraw/zinc/60/40/18/664604018.db2.gz MRLHMKZKZACEAY-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019713281 664604052 /nfs/dbraw/zinc/60/40/52/664604052.db2.gz VSYYPBNERGFZJX-NEPJUHHUSA-N 1 1 321.385 -1.231 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019748391 664604058 /nfs/dbraw/zinc/60/40/58/664604058.db2.gz ZVWKHGDBPMBHTA-JTQLQIEISA-N 1 1 307.310 -1.083 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019745720 664604087 /nfs/dbraw/zinc/60/40/87/664604087.db2.gz RERCYVNJGYSEGS-JTQLQIEISA-N 1 1 317.357 -1.010 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001019713282 664604135 /nfs/dbraw/zinc/60/41/35/664604135.db2.gz VSYYPBNERGFZJX-RYUDHWBXSA-N 1 1 321.385 -1.231 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)C1 ZINC001019800324 664604301 /nfs/dbraw/zinc/60/43/01/664604301.db2.gz FJNUSASGDINGJN-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)C1 ZINC001019800324 664604304 /nfs/dbraw/zinc/60/43/04/664604304.db2.gz FJNUSASGDINGJN-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001019753622 664604481 /nfs/dbraw/zinc/60/44/81/664604481.db2.gz TUBASLCNCNDFGC-VIFPVBQESA-N 1 1 321.341 -1.950 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001019826214 664605096 /nfs/dbraw/zinc/60/50/96/664605096.db2.gz IUCXJCLERGGITO-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001019892719 664606277 /nfs/dbraw/zinc/60/62/77/664606277.db2.gz VQVDTDBQGRNNLG-UWVGGRQHSA-N 1 1 320.353 -1.442 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)Cn1cnnn1 ZINC001020045220 664607913 /nfs/dbraw/zinc/60/79/13/664607913.db2.gz CQBYKGOZXKOHCG-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001020045745 664608188 /nfs/dbraw/zinc/60/81/88/664608188.db2.gz KATMWYAJUIOIHP-BJDJZHNGSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001020045939 664608283 /nfs/dbraw/zinc/60/82/83/664608283.db2.gz PQMDRIFSLLVZAC-NQBHXWOUSA-N 1 1 308.386 -1.118 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001020045747 664608452 /nfs/dbraw/zinc/60/84/52/664608452.db2.gz KATMWYAJUIOIHP-FIQHERPVSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2)C1 ZINC001020081975 664608494 /nfs/dbraw/zinc/60/84/94/664608494.db2.gz WDURLJNEOAMMRT-XYPYZODXSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001020045987 664608552 /nfs/dbraw/zinc/60/85/52/664608552.db2.gz QXBFBOHOFXTWFU-GMTAPVOTSA-N 1 1 309.374 -1.723 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)o1 ZINC001020128305 664609139 /nfs/dbraw/zinc/60/91/39/664609139.db2.gz OVOIWUPJTNXLNA-KYZUINATSA-N 1 1 306.330 -1.119 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)c1nnnn1C ZINC001020121114 664609290 /nfs/dbraw/zinc/60/92/90/664609290.db2.gz BAHJULWICBDIKT-BGZDPUMWSA-N 1 1 309.330 -1.384 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001020121703 664609319 /nfs/dbraw/zinc/60/93/19/664609319.db2.gz SYUXVSWEMYVXBY-CIUDSAMLSA-N 1 1 324.341 -1.019 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001020128031 664609402 /nfs/dbraw/zinc/60/94/02/664609402.db2.gz BRKQFYJBRMLCCX-CIUDSAMLSA-N 1 1 305.346 -1.050 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020124105 664609463 /nfs/dbraw/zinc/60/94/63/664609463.db2.gz XRDJJTRRWVBJNY-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020156256 664609906 /nfs/dbraw/zinc/60/99/06/664609906.db2.gz DACJICYCZHQMHO-KYZUINATSA-N 1 1 318.345 -1.569 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC001020133595 664609935 /nfs/dbraw/zinc/60/99/35/664609935.db2.gz CYPIRZJLWVHFRD-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC001020133595 664609936 /nfs/dbraw/zinc/60/99/36/664609936.db2.gz CYPIRZJLWVHFRD-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)n1 ZINC001020173963 664610000 /nfs/dbraw/zinc/61/00/00/664610000.db2.gz NJAVGPCBOWOYAC-MGCOHNPYSA-N 1 1 319.325 -1.198 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194211 664610213 /nfs/dbraw/zinc/61/02/13/664610213.db2.gz FOGQFMJBMVYAOG-MGCOHNPYSA-N 1 1 313.383 -1.404 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020250064 664610788 /nfs/dbraw/zinc/61/07/88/664610788.db2.gz PAJYRHNKELBLHA-ZKWXMUAHSA-N 1 1 324.366 -1.127 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001020249677 664610818 /nfs/dbraw/zinc/61/08/18/664610818.db2.gz CZSXDEZNOOTFLL-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001020242160 664610826 /nfs/dbraw/zinc/61/08/26/664610826.db2.gz KKRPHXKZYFWDLB-XYPYZODXSA-N 1 1 323.353 -1.026 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C2)o1 ZINC001020242210 664610853 /nfs/dbraw/zinc/61/08/53/664610853.db2.gz NEMADJCTOWRSEO-XYPYZODXSA-N 1 1 323.353 -1.026 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001020250034 664610949 /nfs/dbraw/zinc/61/09/49/664610949.db2.gz NONJGTIILLUVAF-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020250240 664611078 /nfs/dbraw/zinc/61/10/78/664611078.db2.gz YIXCUQNTZSBOAP-FXQIFTODSA-N 1 1 324.366 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)Cn1ncnn1 ZINC001020280745 664611373 /nfs/dbraw/zinc/61/13/73/664611373.db2.gz UKMADKZDKVGGNU-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCCNC3=O)C2)n1 ZINC001020346661 664611703 /nfs/dbraw/zinc/61/17/03/664611703.db2.gz RWURWCXGJXJZRS-XYPYZODXSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCCC2=O)C1 ZINC001020346062 664611760 /nfs/dbraw/zinc/61/17/60/664611760.db2.gz XLMOIMVVIMTFAJ-XYPYZODXSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1COC(=O)N1 ZINC001038213581 664612338 /nfs/dbraw/zinc/61/23/38/664612338.db2.gz NMQAWXFDJSUBTA-NXEZZACHSA-N 1 1 311.342 -1.690 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1COC(=O)N1 ZINC001038213581 664612341 /nfs/dbraw/zinc/61/23/41/664612341.db2.gz NMQAWXFDJSUBTA-NXEZZACHSA-N 1 1 311.342 -1.690 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@@H]1Cc2cncn2C(=O)N1 ZINC001038537059 664613890 /nfs/dbraw/zinc/61/38/90/664613890.db2.gz MXOANRHCBFFSFP-PWSUYJOCSA-N 1 1 307.354 -1.062 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)ncc1=O ZINC001038532609 664614087 /nfs/dbraw/zinc/61/40/87/664614087.db2.gz PQWXQRWISGOTJT-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)ncc1=O ZINC001038532609 664614088 /nfs/dbraw/zinc/61/40/88/664614088.db2.gz PQWXQRWISGOTJT-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@@H]1Cc2cncn2C(=O)N1 ZINC001038537058 664614222 /nfs/dbraw/zinc/61/42/22/664614222.db2.gz MXOANRHCBFFSFP-JQWIXIFHSA-N 1 1 307.354 -1.062 20 0 DAADMO CNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533948 664614254 /nfs/dbraw/zinc/61/42/54/664614254.db2.gz FGXAGFQQQOKEHG-LGESCRJUSA-N 1 1 322.409 -1.214 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001038590625 664614520 /nfs/dbraw/zinc/61/45/20/664614520.db2.gz FLWBXTMCAVKTBX-WDEREUQCSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001038590625 664614524 /nfs/dbraw/zinc/61/45/24/664614524.db2.gz FLWBXTMCAVKTBX-WDEREUQCSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001038590620 664614807 /nfs/dbraw/zinc/61/48/07/664614807.db2.gz FLWBXTMCAVKTBX-MNOVXSKESA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001038590620 664614810 /nfs/dbraw/zinc/61/48/10/664614810.db2.gz FLWBXTMCAVKTBX-MNOVXSKESA-N 1 1 309.370 -1.662 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)C1=O ZINC001038618688 664615035 /nfs/dbraw/zinc/61/50/35/664615035.db2.gz DHRKKGLNRBZFLR-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)C1=O ZINC001038618688 664615041 /nfs/dbraw/zinc/61/50/41/664615041.db2.gz DHRKKGLNRBZFLR-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038653024 664615406 /nfs/dbraw/zinc/61/54/06/664615406.db2.gz VSLZGIHBRFEAMG-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CNC(=O)N1 ZINC001038649605 664615487 /nfs/dbraw/zinc/61/54/87/664615487.db2.gz ICLXJAOMFWPETL-RKDXNWHRSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CNC(=O)N1 ZINC001038649605 664615492 /nfs/dbraw/zinc/61/54/92/664615492.db2.gz ICLXJAOMFWPETL-RKDXNWHRSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CNC(=O)N1 ZINC001038649603 664615775 /nfs/dbraw/zinc/61/57/75/664615775.db2.gz ICLXJAOMFWPETL-IUCAKERBSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CNC(=O)N1 ZINC001038649603 664615776 /nfs/dbraw/zinc/61/57/76/664615776.db2.gz ICLXJAOMFWPETL-IUCAKERBSA-N 1 1 324.341 -2.590 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001038654901 664616057 /nfs/dbraw/zinc/61/60/57/664616057.db2.gz RKLIFFCEUUFCPV-RYUDHWBXSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001038654901 664616060 /nfs/dbraw/zinc/61/60/60/664616060.db2.gz RKLIFFCEUUFCPV-RYUDHWBXSA-N 1 1 321.385 -1.233 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)[nH]c1=O ZINC001038656420 664616202 /nfs/dbraw/zinc/61/62/02/664616202.db2.gz CZRZGFGIVSBQOG-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)[nH]c1=O ZINC001038656420 664616203 /nfs/dbraw/zinc/61/62/03/664616203.db2.gz CZRZGFGIVSBQOG-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001038713623 664616438 /nfs/dbraw/zinc/61/64/38/664616438.db2.gz YHJQDQIEKFIZMH-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001038713623 664616439 /nfs/dbraw/zinc/61/64/39/664616439.db2.gz YHJQDQIEKFIZMH-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)S1(=O)=O ZINC001038799612 664617030 /nfs/dbraw/zinc/61/70/30/664617030.db2.gz DQJSCWJHXDHYDB-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)S1(=O)=O ZINC001038799612 664617034 /nfs/dbraw/zinc/61/70/34/664617034.db2.gz DQJSCWJHXDHYDB-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038757588 664617085 /nfs/dbraw/zinc/61/70/85/664617085.db2.gz QGJYUIQRMKHHLM-MNOVXSKESA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038757588 664617086 /nfs/dbraw/zinc/61/70/86/664617086.db2.gz QGJYUIQRMKHHLM-MNOVXSKESA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038812925 664617690 /nfs/dbraw/zinc/61/76/90/664617690.db2.gz PCEJLJUPRBAKSS-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038812925 664617692 /nfs/dbraw/zinc/61/76/92/664617692.db2.gz PCEJLJUPRBAKSS-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO NC(=O)C(=O)N1CCC([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001039158202 664619070 /nfs/dbraw/zinc/61/90/70/664619070.db2.gz NXHJVEOEFSOKPV-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001039105570 664619160 /nfs/dbraw/zinc/61/91/60/664619160.db2.gz XGRDUKMMDWHWJX-LBPRGKRZSA-N 1 1 321.385 -1.281 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330852 664619236 /nfs/dbraw/zinc/61/92/36/664619236.db2.gz LKLXSOPLXRZWDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330852 664619238 /nfs/dbraw/zinc/61/92/38/664619238.db2.gz LKLXSOPLXRZWDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nnc(C(=O)N2CCC([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001039147015 664619256 /nfs/dbraw/zinc/61/92/56/664619256.db2.gz BQMIBFLRNNXYGT-NSHDSACASA-N 1 1 321.385 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366299 664619451 /nfs/dbraw/zinc/61/94/51/664619451.db2.gz ZLJWBNKFRWPWIL-ZJUUUORDSA-N 1 1 308.342 -1.466 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366299 664619452 /nfs/dbraw/zinc/61/94/52/664619452.db2.gz ZLJWBNKFRWPWIL-ZJUUUORDSA-N 1 1 308.342 -1.466 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041381170 677689233 /nfs/dbraw/zinc/68/92/33/677689233.db2.gz BCNAOKNPUNKYIY-VIFPVBQESA-N 1 1 313.358 -2.562 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001083321636 677689241 /nfs/dbraw/zinc/68/92/41/677689241.db2.gz VCHIPZAZMRONJO-KGLIPLIRSA-N 1 1 317.349 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001083321636 677689242 /nfs/dbraw/zinc/68/92/42/677689242.db2.gz VCHIPZAZMRONJO-KGLIPLIRSA-N 1 1 317.349 -1.008 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001075632583 677689792 /nfs/dbraw/zinc/68/97/92/677689792.db2.gz BOZVDWRUZYUPAE-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001075632583 677689793 /nfs/dbraw/zinc/68/97/93/677689793.db2.gz BOZVDWRUZYUPAE-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487364 677726105 /nfs/dbraw/zinc/72/61/05/677726105.db2.gz ROEXQULEHALTAK-JLLWLGSASA-N 1 1 318.395 -1.771 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487364 677726109 /nfs/dbraw/zinc/72/61/09/677726109.db2.gz ROEXQULEHALTAK-JLLWLGSASA-N 1 1 318.395 -1.771 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001076882454 677764367 /nfs/dbraw/zinc/76/43/67/677764367.db2.gz HFZRYHBBBUCHPT-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001076882454 677764369 /nfs/dbraw/zinc/76/43/69/677764369.db2.gz HFZRYHBBBUCHPT-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO CCCCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083670628 677822562 /nfs/dbraw/zinc/82/25/62/677822562.db2.gz HMPXPAGPNFDNMR-RDBSUJKOSA-N 1 1 315.414 -1.359 20 0 DAADMO CCCCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083670628 677822565 /nfs/dbraw/zinc/82/25/65/677822565.db2.gz HMPXPAGPNFDNMR-RDBSUJKOSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1COCCN1CC(F)F ZINC001083670607 677822646 /nfs/dbraw/zinc/82/26/46/677822646.db2.gz GNUBKJTZXOIRBF-VWYCJHECSA-N 1 1 323.340 -1.894 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1COCCN1CC(F)F ZINC001083670607 677822648 /nfs/dbraw/zinc/82/26/48/677822648.db2.gz GNUBKJTZXOIRBF-VWYCJHECSA-N 1 1 323.340 -1.894 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001077255837 677793906 /nfs/dbraw/zinc/79/39/06/677793906.db2.gz QWZDLYTZDVKHLZ-DGCLKSJQSA-N 1 1 312.370 -1.012 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001077255837 677793908 /nfs/dbraw/zinc/79/39/08/677793908.db2.gz QWZDLYTZDVKHLZ-DGCLKSJQSA-N 1 1 312.370 -1.012 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001077257064 677793918 /nfs/dbraw/zinc/79/39/18/677793918.db2.gz SKWCHKUBBJSZDO-IVZWLZJFSA-N 1 1 311.342 -2.300 20 0 DAADMO CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182666 677823199 /nfs/dbraw/zinc/82/31/99/677823199.db2.gz BKQKBMYQPFGUGT-OUCADQQQSA-N 1 1 302.371 -1.105 20 0 DAADMO C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)N1CCSCC1 ZINC000913182451 677823253 /nfs/dbraw/zinc/82/32/53/677823253.db2.gz HOXUMOAPTAAVQU-YPMHNXCESA-N 1 1 303.428 -1.109 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573255 677800557 /nfs/dbraw/zinc/80/05/57/677800557.db2.gz CUJKOKURLGTMJO-AGIUHOORSA-N 1 1 322.413 -1.039 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053925 677816553 /nfs/dbraw/zinc/81/65/53/677816553.db2.gz GEPGPDRSXQTADB-WDEREUQCSA-N 1 1 303.384 -1.845 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649919 677816667 /nfs/dbraw/zinc/81/66/67/677816667.db2.gz WSRJEVJNDAFPIL-FXAINCCUSA-N 1 1 320.353 -1.481 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000912508785 677818282 /nfs/dbraw/zinc/81/82/82/677818282.db2.gz YNDWGKRGGRCDLL-NTZNESFSSA-N 1 1 319.427 -1.066 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030028033 677820402 /nfs/dbraw/zinc/82/04/02/677820402.db2.gz FPWKCSBXRVLQNC-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030028033 677820408 /nfs/dbraw/zinc/82/04/08/677820408.db2.gz FPWKCSBXRVLQNC-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912893431 677820784 /nfs/dbraw/zinc/82/07/84/677820784.db2.gz BVRLBDGPXUCQHC-UHFFFAOYSA-N 1 1 312.370 -2.017 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912893431 677820789 /nfs/dbraw/zinc/82/07/89/677820789.db2.gz BVRLBDGPXUCQHC-UHFFFAOYSA-N 1 1 312.370 -2.017 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001046524683 677846113 /nfs/dbraw/zinc/84/61/13/677846113.db2.gz AAPSOUINSSAQPT-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 ZINC001046525943 677846119 /nfs/dbraw/zinc/84/61/19/677846119.db2.gz XFUGIHOKILWCLN-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)S1(=O)=O ZINC001077820636 677885166 /nfs/dbraw/zinc/88/51/66/677885166.db2.gz CVVYUPBLHRKVJF-MXWKQRLJSA-N 1 1 321.399 -2.436 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)S1(=O)=O ZINC001077820636 677885168 /nfs/dbraw/zinc/88/51/68/677885168.db2.gz CVVYUPBLHRKVJF-MXWKQRLJSA-N 1 1 321.399 -2.436 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001061766857 677964029 /nfs/dbraw/zinc/96/40/29/677964029.db2.gz SRKQZWLDLXVKJI-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001061766857 677964030 /nfs/dbraw/zinc/96/40/30/677964030.db2.gz SRKQZWLDLXVKJI-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001003044165 677939323 /nfs/dbraw/zinc/93/93/23/677939323.db2.gz FAUJMSGPTXRAEZ-CBAPKCEASA-N 1 1 311.342 -1.961 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061740110 677963098 /nfs/dbraw/zinc/96/30/98/677963098.db2.gz HSQVCZBTJBMAKY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)C1 ZINC001063240234 677987007 /nfs/dbraw/zinc/98/70/07/677987007.db2.gz LTLZYEVJQQOMIJ-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)C1 ZINC001063240234 677987009 /nfs/dbraw/zinc/98/70/09/677987009.db2.gz LTLZYEVJQQOMIJ-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)C(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079164500 678017912 /nfs/dbraw/zinc/01/79/12/678017912.db2.gz GSBWKJJHIOIYMW-UHFFFAOYSA-N 1 1 313.358 -2.612 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771806 678026491 /nfs/dbraw/zinc/02/64/91/678026491.db2.gz UPMMBDJQADOXEZ-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773979 678026529 /nfs/dbraw/zinc/02/65/29/678026529.db2.gz IVBAQAAQLVXMEN-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773979 678026532 /nfs/dbraw/zinc/02/65/32/678026532.db2.gz IVBAQAAQLVXMEN-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001080756162 678040998 /nfs/dbraw/zinc/04/09/98/678040998.db2.gz KSXTVGTYTNJJEY-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001080756162 678041001 /nfs/dbraw/zinc/04/10/01/678041001.db2.gz KSXTVGTYTNJJEY-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001080001618 678030420 /nfs/dbraw/zinc/03/04/20/678030420.db2.gz NQAFNQMBCGMIDU-GMTAPVOTSA-N 1 1 322.369 -2.093 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001080001618 678030424 /nfs/dbraw/zinc/03/04/24/678030424.db2.gz NQAFNQMBCGMIDU-GMTAPVOTSA-N 1 1 322.369 -2.093 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001080050789 678030579 /nfs/dbraw/zinc/03/05/79/678030579.db2.gz FZGGRWPJBYLPRI-MWLCHTKSSA-N 1 1 321.381 -1.080 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001080050789 678030580 /nfs/dbraw/zinc/03/05/80/678030580.db2.gz FZGGRWPJBYLPRI-MWLCHTKSSA-N 1 1 321.381 -1.080 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081331741 678064201 /nfs/dbraw/zinc/06/42/01/678064201.db2.gz QKQBSOAKFHXKOB-YNEHKIRRSA-N 1 1 324.385 -1.085 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481304 678078679 /nfs/dbraw/zinc/07/86/79/678078679.db2.gz DCDIRMUPFAWUFE-MXWKQRLJSA-N 1 1 300.359 -2.382 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481304 678078681 /nfs/dbraw/zinc/07/86/81/678078681.db2.gz DCDIRMUPFAWUFE-MXWKQRLJSA-N 1 1 300.359 -2.382 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081498970 678080512 /nfs/dbraw/zinc/08/05/12/678080512.db2.gz HCRHFESOPKNZLQ-WDEREUQCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081498969 678080579 /nfs/dbraw/zinc/08/05/79/678080579.db2.gz HCRHFESOPKNZLQ-QWRGUYRKSA-N 1 1 322.369 -1.550 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081503213 678080970 /nfs/dbraw/zinc/08/09/70/678080970.db2.gz OMCHRLNWJDDWRA-WDEREUQCSA-N 1 1 323.353 -1.998 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001081589291 678086500 /nfs/dbraw/zinc/08/65/00/678086500.db2.gz CRUOUHICBBRIAT-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081589291 678086504 /nfs/dbraw/zinc/08/65/04/678086504.db2.gz CRUOUHICBBRIAT-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081589291 678086508 /nfs/dbraw/zinc/08/65/08/678086508.db2.gz CRUOUHICBBRIAT-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](OC)C1 ZINC001081766990 678105694 /nfs/dbraw/zinc/10/56/94/678105694.db2.gz MVANAKPMBFHZCG-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C(N)=O ZINC001082089353 678111451 /nfs/dbraw/zinc/11/14/51/678111451.db2.gz YRWKNFHGHKDZPU-IVZWLZJFSA-N 1 1 308.342 -1.934 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)C(N)=O ZINC001082089353 678111452 /nfs/dbraw/zinc/11/14/52/678111452.db2.gz YRWKNFHGHKDZPU-IVZWLZJFSA-N 1 1 308.342 -1.934 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082137835 678111472 /nfs/dbraw/zinc/11/14/72/678111472.db2.gz CLNKMPCVMBZOIB-YVECIDJPSA-N 1 1 321.381 -1.180 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001082374588 678116482 /nfs/dbraw/zinc/11/64/82/678116482.db2.gz JDDPTEDAEBKWGX-HBNTYKKESA-N 1 1 321.399 -1.860 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082611056 678118440 /nfs/dbraw/zinc/11/84/40/678118440.db2.gz OYYDTOWEMXRZMM-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065318067 678127595 /nfs/dbraw/zinc/12/75/95/678127595.db2.gz NCQBUXWAFGSJKL-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072740544 678163057 /nfs/dbraw/zinc/16/30/57/678163057.db2.gz AGAHFUTVCXHYDF-UHFFFAOYSA-N 1 1 317.357 -1.501 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)C1 ZINC001074593636 678198250 /nfs/dbraw/zinc/19/82/50/678198250.db2.gz YLAGSGCUYHRRPB-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001074600261 678198445 /nfs/dbraw/zinc/19/84/45/678198445.db2.gz FLARVMRUHNBTEC-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074700981 678200994 /nfs/dbraw/zinc/20/09/94/678200994.db2.gz NRXXIEVIFAAVTD-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075247890 678210316 /nfs/dbraw/zinc/21/03/16/678210316.db2.gz WHLUPIPSDZRCRL-ZJUUUORDSA-N 1 1 309.374 -1.340 20 0 DAADMO O=C(c1n[nH]cc1F)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083185647 677680869 /nfs/dbraw/zinc/68/08/69/677680869.db2.gz DKVSNFGCKITGFX-GARJFASQSA-N 1 1 323.328 -1.038 20 0 DAADMO O=C(c1n[nH]cc1F)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083185647 677680870 /nfs/dbraw/zinc/68/08/70/677680870.db2.gz DKVSNFGCKITGFX-GARJFASQSA-N 1 1 323.328 -1.038 20 0 DAADMO C[C@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969615379 677681274 /nfs/dbraw/zinc/68/12/74/677681274.db2.gz BBSBZTNZQNAJHN-WPRPVWTQSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)C1 ZINC001083192498 677681451 /nfs/dbraw/zinc/68/14/51/677681451.db2.gz DMMYHXKEMQXMLO-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192561 677681472 /nfs/dbraw/zinc/68/14/72/677681472.db2.gz GVLRVDRNVZLHJX-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1=O ZINC001041786212 677682141 /nfs/dbraw/zinc/68/21/41/677682141.db2.gz SOXAKMCPZMSWBO-OAHLLOKOSA-N 1 1 324.381 -1.203 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC001083211350 677682255 /nfs/dbraw/zinc/68/22/55/677682255.db2.gz VAMAFUHCLKRHPJ-NWDGAFQWSA-N 1 1 322.365 -1.371 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001022028214 677682481 /nfs/dbraw/zinc/68/24/81/677682481.db2.gz WJGJVZFXOGGBTR-AEJSXWLSSA-N 1 1 323.357 -1.072 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022040395 677682508 /nfs/dbraw/zinc/68/25/08/677682508.db2.gz WFGDJDJBLBCILK-DTORHVGOSA-N 1 1 305.346 -1.128 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971544706 677682537 /nfs/dbraw/zinc/68/25/37/677682537.db2.gz DUILCFFNELVEJW-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971543993 677682542 /nfs/dbraw/zinc/68/25/42/677682542.db2.gz VKBLBHQZANGOON-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545060 677682554 /nfs/dbraw/zinc/68/25/54/677682554.db2.gz JIJWXOJUUFUGGQ-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545060 677682555 /nfs/dbraw/zinc/68/25/55/677682555.db2.gz JIJWXOJUUFUGGQ-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971543992 677682571 /nfs/dbraw/zinc/68/25/71/677682571.db2.gz VKBLBHQZANGOON-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971544852 677682576 /nfs/dbraw/zinc/68/25/76/677682576.db2.gz FKXTXETYHXNLIY-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971543970 677682614 /nfs/dbraw/zinc/68/26/14/677682614.db2.gz UTKVFSNEZWHVFM-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083221970 677682703 /nfs/dbraw/zinc/68/27/03/677682703.db2.gz AMQXPACDSGTSJF-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083221971 677682723 /nfs/dbraw/zinc/68/27/23/677682723.db2.gz AMQXPACDSGTSJF-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083228322 677682911 /nfs/dbraw/zinc/68/29/11/677682911.db2.gz WDVPFJRSKLXBGJ-SDDRHHMPSA-N 1 1 321.337 -1.127 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083228322 677682912 /nfs/dbraw/zinc/68/29/12/677682912.db2.gz WDVPFJRSKLXBGJ-SDDRHHMPSA-N 1 1 321.337 -1.127 20 0 DAADMO O=C(CCn1cnccc1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083236514 677683016 /nfs/dbraw/zinc/68/30/16/677683016.db2.gz GXKORAFRHZAIAF-QWHCGFSZSA-N 1 1 322.365 -1.463 20 0 DAADMO O=C(CCn1cnccc1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083236514 677683017 /nfs/dbraw/zinc/68/30/17/677683017.db2.gz GXKORAFRHZAIAF-QWHCGFSZSA-N 1 1 322.365 -1.463 20 0 DAADMO Cn1cccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1=O ZINC001083251434 677683297 /nfs/dbraw/zinc/68/32/97/677683297.db2.gz PVOOQNKZOMDJIA-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO Cn1cccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1=O ZINC001083251434 677683298 /nfs/dbraw/zinc/68/32/98/677683298.db2.gz PVOOQNKZOMDJIA-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)C1 ZINC001083248073 677683354 /nfs/dbraw/zinc/68/33/54/677683354.db2.gz QNTTZCMMWWLPTP-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083254688 677683440 /nfs/dbraw/zinc/68/34/40/677683440.db2.gz HGHPHWHAINCZHQ-QWHCGFSZSA-N 1 1 322.365 -1.544 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083254688 677683441 /nfs/dbraw/zinc/68/34/41/677683441.db2.gz HGHPHWHAINCZHQ-QWHCGFSZSA-N 1 1 322.365 -1.544 20 0 DAADMO COc1c(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cnn1C ZINC001083260241 677683546 /nfs/dbraw/zinc/68/35/46/677683546.db2.gz RBKIVWCTTAZOGJ-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO COc1c(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cnn1C ZINC001083260241 677683547 /nfs/dbraw/zinc/68/35/47/677683547.db2.gz RBKIVWCTTAZOGJ-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001067462190 677683650 /nfs/dbraw/zinc/68/36/50/677683650.db2.gz DENCWHUVUKHDNY-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO O=C(Cn1ccccc1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083270899 677684153 /nfs/dbraw/zinc/68/41/53/677684153.db2.gz GBGJSVMBXMTTCZ-QWHCGFSZSA-N 1 1 307.350 -1.248 20 0 DAADMO O=C(Cn1ccccc1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083270899 677684154 /nfs/dbraw/zinc/68/41/54/677684154.db2.gz GBGJSVMBXMTTCZ-QWHCGFSZSA-N 1 1 307.350 -1.248 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)no1 ZINC001083273533 677684372 /nfs/dbraw/zinc/68/43/72/677684372.db2.gz WVBNMXHUQQIGLF-WDEREUQCSA-N 1 1 324.337 -1.175 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)no1 ZINC001083273533 677684373 /nfs/dbraw/zinc/68/43/73/677684373.db2.gz WVBNMXHUQQIGLF-WDEREUQCSA-N 1 1 324.337 -1.175 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083274775 677684433 /nfs/dbraw/zinc/68/44/33/677684433.db2.gz ZCMWNMYCEGXFNF-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083274775 677684434 /nfs/dbraw/zinc/68/44/34/677684434.db2.gz ZCMWNMYCEGXFNF-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278429 677684559 /nfs/dbraw/zinc/68/45/59/677684559.db2.gz XIVBGXPJSIGRLN-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058639071 677685099 /nfs/dbraw/zinc/68/50/99/677685099.db2.gz UBRHITIWBNPIBC-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641852 677685459 /nfs/dbraw/zinc/68/54/59/677685459.db2.gz RITNRYOJUYCRME-VIFPVBQESA-N 1 1 302.331 -3.261 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641852 677685460 /nfs/dbraw/zinc/68/54/60/677685460.db2.gz RITNRYOJUYCRME-VIFPVBQESA-N 1 1 302.331 -3.261 20 0 DAADMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)C(N)=O)CC(C)(C)C ZINC001058646412 677685939 /nfs/dbraw/zinc/68/59/39/677685939.db2.gz IPIPTEAENJMFMU-UHFFFAOYSA-N 1 1 316.402 -1.613 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058646278 677685956 /nfs/dbraw/zinc/68/59/56/677685956.db2.gz CISZKYHYJKDSRQ-UHFFFAOYSA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646722 677686026 /nfs/dbraw/zinc/68/60/26/677686026.db2.gz VYAYTYBANPEVSO-UWVGGRQHSA-N 1 1 300.359 -2.394 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1)NC1CC1 ZINC001075531705 677686257 /nfs/dbraw/zinc/68/62/57/677686257.db2.gz YIKJGWHHBFCBFQ-CMPLNLGQSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1)NC1CC1 ZINC001075531705 677686258 /nfs/dbraw/zinc/68/62/58/677686258.db2.gz YIKJGWHHBFCBFQ-CMPLNLGQSA-N 1 1 319.369 -1.516 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531617 677686362 /nfs/dbraw/zinc/68/63/62/677686362.db2.gz UPHUOEASGQHMGU-OUAUKWLOSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531617 677686363 /nfs/dbraw/zinc/68/63/63/677686363.db2.gz UPHUOEASGQHMGU-OUAUKWLOSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n3C)[C@H]2C1 ZINC001083286105 677686520 /nfs/dbraw/zinc/68/65/20/677686520.db2.gz SSKWPBXJRNKPGH-GMXVVIOVSA-N 1 1 324.381 -1.370 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cn1 ZINC001083291321 677686715 /nfs/dbraw/zinc/68/67/15/677686715.db2.gz BAINOKMEJCCIPK-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cn1 ZINC001083291321 677686716 /nfs/dbraw/zinc/68/67/16/677686716.db2.gz BAINOKMEJCCIPK-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)CNC(N)=O ZINC001075545752 677686877 /nfs/dbraw/zinc/68/68/77/677686877.db2.gz HBTNWMOGFQFCFE-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)O1 ZINC001067712802 677687826 /nfs/dbraw/zinc/68/78/26/677687826.db2.gz OLDJQSYEAPHBEA-GHMZBOCLSA-N 1 1 314.386 -1.502 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)O1 ZINC001067712802 677687827 /nfs/dbraw/zinc/68/78/27/677687827.db2.gz OLDJQSYEAPHBEA-GHMZBOCLSA-N 1 1 314.386 -1.502 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CNC(C)=O ZINC001058816161 677687989 /nfs/dbraw/zinc/68/79/89/677687989.db2.gz KYTGOGBCWKFBDI-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187210 677688009 /nfs/dbraw/zinc/68/80/09/677688009.db2.gz RETXQKUWKSNCEZ-AEJSXWLSSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187210 677688010 /nfs/dbraw/zinc/68/80/10/677688010.db2.gz RETXQKUWKSNCEZ-AEJSXWLSSA-N 1 1 307.358 -1.588 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058817263 677688048 /nfs/dbraw/zinc/68/80/48/677688048.db2.gz CLYNWPBWGLYKEO-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC001083316979 677688070 /nfs/dbraw/zinc/68/80/70/677688070.db2.gz BMGZMGDRPAMMQM-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC001083316979 677688071 /nfs/dbraw/zinc/68/80/71/677688071.db2.gz BMGZMGDRPAMMQM-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058815414 677688078 /nfs/dbraw/zinc/68/80/78/677688078.db2.gz YFDSIJXROBMGFW-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058815414 677688079 /nfs/dbraw/zinc/68/80/79/677688079.db2.gz YFDSIJXROBMGFW-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058815414 677688080 /nfs/dbraw/zinc/68/80/80/677688080.db2.gz YFDSIJXROBMGFW-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058815414 677688081 /nfs/dbraw/zinc/68/80/81/677688081.db2.gz YFDSIJXROBMGFW-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058815414 677688082 /nfs/dbraw/zinc/68/80/82/677688082.db2.gz YFDSIJXROBMGFW-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001058844977 677688233 /nfs/dbraw/zinc/68/82/33/677688233.db2.gz AZEMKLNRBUFDKZ-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001058846831 677688253 /nfs/dbraw/zinc/68/82/53/677688253.db2.gz GRZNRBUDFRHZLT-NEPJUHHUSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058846660 677688309 /nfs/dbraw/zinc/68/83/09/677688309.db2.gz BOTHDVJVKOTQOI-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058844231 677688314 /nfs/dbraw/zinc/68/83/14/677688314.db2.gz XLBAQCWFSAEXNX-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058850339 677688336 /nfs/dbraw/zinc/68/83/36/677688336.db2.gz MXVIMAVMDRZZHR-UHFFFAOYSA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058849106 677688348 /nfs/dbraw/zinc/68/83/48/677688348.db2.gz OJQIQPQFYVCEHZ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849106 677688349 /nfs/dbraw/zinc/68/83/49/677688349.db2.gz OJQIQPQFYVCEHZ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849106 677688350 /nfs/dbraw/zinc/68/83/50/677688350.db2.gz OJQIQPQFYVCEHZ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849106 677688351 /nfs/dbraw/zinc/68/83/51/677688351.db2.gz OJQIQPQFYVCEHZ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849106 677688352 /nfs/dbraw/zinc/68/83/52/677688352.db2.gz OJQIQPQFYVCEHZ-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058849289 677688407 /nfs/dbraw/zinc/68/84/07/677688407.db2.gz QSQFBZDKQQXOCD-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849289 677688408 /nfs/dbraw/zinc/68/84/08/677688408.db2.gz QSQFBZDKQQXOCD-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849289 677688409 /nfs/dbraw/zinc/68/84/09/677688409.db2.gz QSQFBZDKQQXOCD-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058849108 677688432 /nfs/dbraw/zinc/68/84/32/677688432.db2.gz OJQIQPQFYVCEHZ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849108 677688433 /nfs/dbraw/zinc/68/84/33/677688433.db2.gz OJQIQPQFYVCEHZ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849108 677688434 /nfs/dbraw/zinc/68/84/34/677688434.db2.gz OJQIQPQFYVCEHZ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849108 677688435 /nfs/dbraw/zinc/68/84/35/677688435.db2.gz OJQIQPQFYVCEHZ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849108 677688436 /nfs/dbraw/zinc/68/84/36/677688436.db2.gz OJQIQPQFYVCEHZ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2cncn2)C1 ZINC001058885017 677688817 /nfs/dbraw/zinc/68/88/17/677688817.db2.gz AJXNFPHYWNFGAN-GFCCVEGCSA-N 1 1 324.385 -1.833 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083324141 677689625 /nfs/dbraw/zinc/68/96/25/677689625.db2.gz MLXDWKAECWHLPV-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083324141 677689626 /nfs/dbraw/zinc/68/96/26/677689626.db2.gz MLXDWKAECWHLPV-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039968663 677690012 /nfs/dbraw/zinc/69/00/12/677690012.db2.gz DIKGHTCUUCPPMG-TXEJJXNPSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039968663 677690013 /nfs/dbraw/zinc/69/00/13/677690013.db2.gz DIKGHTCUUCPPMG-TXEJJXNPSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083329759 677690149 /nfs/dbraw/zinc/69/01/49/677690149.db2.gz UKEFWQSEDDGQOD-TUAOUCFPSA-N 1 1 310.358 -1.739 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001028518485 677690156 /nfs/dbraw/zinc/69/01/56/677690156.db2.gz CAXNHTDPENKMNA-GXSJLCMTSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001028518485 677690157 /nfs/dbraw/zinc/69/01/57/677690157.db2.gz CAXNHTDPENKMNA-GXSJLCMTSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)nn1 ZINC001028518445 677690287 /nfs/dbraw/zinc/69/02/87/677690287.db2.gz UJQOVJUJOXOGTA-LLVKDONJSA-N 1 1 321.385 -1.108 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)c1 ZINC001083330033 677690333 /nfs/dbraw/zinc/69/03/33/677690333.db2.gz FKWRZKHVSIAEQL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)c1 ZINC001083330033 677690334 /nfs/dbraw/zinc/69/03/34/677690334.db2.gz FKWRZKHVSIAEQL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028521884 677690341 /nfs/dbraw/zinc/69/03/41/677690341.db2.gz NADVWNGNCLKOOO-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028521884 677690342 /nfs/dbraw/zinc/69/03/42/677690342.db2.gz NADVWNGNCLKOOO-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083333796 677690599 /nfs/dbraw/zinc/69/05/99/677690599.db2.gz MLAMBMHXPYINFH-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083333796 677690600 /nfs/dbraw/zinc/69/06/00/677690600.db2.gz MLAMBMHXPYINFH-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1=O ZINC001083340505 677690826 /nfs/dbraw/zinc/69/08/26/677690826.db2.gz JBNFLDQDKXMHQG-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1=O ZINC001083340505 677690827 /nfs/dbraw/zinc/69/08/27/677690827.db2.gz JBNFLDQDKXMHQG-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083340497 677690862 /nfs/dbraw/zinc/69/08/62/677690862.db2.gz IQHXYYXKYGDJEU-NEPJUHHUSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083340497 677690863 /nfs/dbraw/zinc/69/08/63/677690863.db2.gz IQHXYYXKYGDJEU-NEPJUHHUSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083348708 677690963 /nfs/dbraw/zinc/69/09/63/677690963.db2.gz WJUYUAGFJHPMFA-FRRDWIJNSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083348708 677690964 /nfs/dbraw/zinc/69/09/64/677690964.db2.gz WJUYUAGFJHPMFA-FRRDWIJNSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083349536 677691042 /nfs/dbraw/zinc/69/10/42/677691042.db2.gz FZNULGLCGRZDLU-HZSPNIEDSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083349406 677691044 /nfs/dbraw/zinc/69/10/44/677691044.db2.gz AATKQFHAFXDBJO-GRYCIOLGSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083349406 677691045 /nfs/dbraw/zinc/69/10/45/677691045.db2.gz AATKQFHAFXDBJO-GRYCIOLGSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1ccn[nH]1 ZINC001083349233 677691047 /nfs/dbraw/zinc/69/10/47/677691047.db2.gz SMIDAWFVMCCIMC-WCQGTBRESA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083349407 677691148 /nfs/dbraw/zinc/69/11/48/677691148.db2.gz AATKQFHAFXDBJO-WOPDTQHZSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083349407 677691149 /nfs/dbraw/zinc/69/11/49/677691149.db2.gz AATKQFHAFXDBJO-WOPDTQHZSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1ccn[nH]1 ZINC001083350355 677691288 /nfs/dbraw/zinc/69/12/88/677691288.db2.gz MTQUXYFOLSOMBA-RTXFEEFZSA-N 1 1 320.353 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CCOC1 ZINC001083362768 677691666 /nfs/dbraw/zinc/69/16/66/677691666.db2.gz UQPMETXZFPQBCU-TUAOUCFPSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CCOC1 ZINC001083362768 677691667 /nfs/dbraw/zinc/69/16/67/677691667.db2.gz UQPMETXZFPQBCU-TUAOUCFPSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCOC1 ZINC001083363567 677691683 /nfs/dbraw/zinc/69/16/83/677691683.db2.gz YJNJYFZUSCYEQZ-XQQFMLRXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCOC1 ZINC001083363567 677691684 /nfs/dbraw/zinc/69/16/84/677691684.db2.gz YJNJYFZUSCYEQZ-XQQFMLRXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cocn1 ZINC001083370407 677691891 /nfs/dbraw/zinc/69/18/91/677691891.db2.gz RKDUKJQPNYGHBM-WZRBSPASSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cocn1 ZINC001083370407 677691892 /nfs/dbraw/zinc/69/18/92/677691892.db2.gz RKDUKJQPNYGHBM-WZRBSPASSA-N 1 1 321.337 -1.293 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)nc1=O ZINC001083368641 677691912 /nfs/dbraw/zinc/69/19/12/677691912.db2.gz SGLWJXFHVVBQCT-MXWKQRLJSA-N 1 1 324.385 -2.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083368190 677691989 /nfs/dbraw/zinc/69/19/89/677691989.db2.gz FROZDSRGPPCSCT-UPJWGTAASA-N 1 1 310.398 -1.480 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083372017 677692146 /nfs/dbraw/zinc/69/21/46/677692146.db2.gz WOCUEYUWKWSZMQ-UPJWGTAASA-N 1 1 311.382 -1.147 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000729284745 677692556 /nfs/dbraw/zinc/69/25/56/677692556.db2.gz KMYKYCHNAKFLIH-LLVKDONJSA-N 1 1 305.400 -1.284 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083378317 677692567 /nfs/dbraw/zinc/69/25/67/677692567.db2.gz LAZXIZUNONAPDY-NEPJUHHUSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083378317 677692568 /nfs/dbraw/zinc/69/25/68/677692568.db2.gz LAZXIZUNONAPDY-NEPJUHHUSA-N 1 1 323.353 -1.596 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083385301 677692871 /nfs/dbraw/zinc/69/28/71/677692871.db2.gz KFEAJPGTCFBOAU-AGIUHOORSA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083385301 677692872 /nfs/dbraw/zinc/69/28/72/677692872.db2.gz KFEAJPGTCFBOAU-AGIUHOORSA-N 1 1 324.385 -2.230 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)C1 ZINC001083385491 677692877 /nfs/dbraw/zinc/69/28/77/677692877.db2.gz PLJNWAYILUJQDY-AGIUHOORSA-N 1 1 310.354 -1.334 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)C1 ZINC001083385491 677692879 /nfs/dbraw/zinc/69/28/79/677692879.db2.gz PLJNWAYILUJQDY-AGIUHOORSA-N 1 1 310.354 -1.334 20 0 DAADMO Cc1cnc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385110 677692921 /nfs/dbraw/zinc/69/29/21/677692921.db2.gz DPQMQJORPQXALU-FRRDWIJNSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cnc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385110 677692922 /nfs/dbraw/zinc/69/29/22/677692922.db2.gz DPQMQJORPQXALU-FRRDWIJNSA-N 1 1 324.381 -1.025 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385329 677693043 /nfs/dbraw/zinc/69/30/43/677693043.db2.gz KWAURPOWTRXYJI-WOPDTQHZSA-N 1 1 314.386 -2.434 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385329 677693045 /nfs/dbraw/zinc/69/30/45/677693045.db2.gz KWAURPOWTRXYJI-WOPDTQHZSA-N 1 1 314.386 -2.434 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385792 677693048 /nfs/dbraw/zinc/69/30/48/677693048.db2.gz ZHHDWGWQBHDJDH-VWYCJHECSA-N 1 1 300.359 -2.776 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385792 677693049 /nfs/dbraw/zinc/69/30/49/677693049.db2.gz ZHHDWGWQBHDJDH-VWYCJHECSA-N 1 1 300.359 -2.776 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[nH]1 ZINC001083385725 677693081 /nfs/dbraw/zinc/69/30/81/677693081.db2.gz XCMYVPHNSWDCDL-WOPDTQHZSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[nH]1 ZINC001083385725 677693082 /nfs/dbraw/zinc/69/30/82/677693082.db2.gz XCMYVPHNSWDCDL-WOPDTQHZSA-N 1 1 324.385 -1.895 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001083385531 677693110 /nfs/dbraw/zinc/69/31/10/677693110.db2.gz QSKBBDHAHQXMBQ-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001083385531 677693111 /nfs/dbraw/zinc/69/31/11/677693111.db2.gz QSKBBDHAHQXMBQ-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385328 677693119 /nfs/dbraw/zinc/69/31/19/677693119.db2.gz KWAURPOWTRXYJI-GRYCIOLGSA-N 1 1 314.386 -2.434 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385328 677693120 /nfs/dbraw/zinc/69/31/20/677693120.db2.gz KWAURPOWTRXYJI-GRYCIOLGSA-N 1 1 314.386 -2.434 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001083388516 677693193 /nfs/dbraw/zinc/69/31/93/677693193.db2.gz YMMSOJMPBUUSOC-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001083388516 677693195 /nfs/dbraw/zinc/69/31/95/677693195.db2.gz YMMSOJMPBUUSOC-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001075683515 677693637 /nfs/dbraw/zinc/69/36/37/677693637.db2.gz AVNSIOVXVATVMX-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001075683515 677693638 /nfs/dbraw/zinc/69/36/38/677693638.db2.gz AVNSIOVXVATVMX-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001075683514 677693666 /nfs/dbraw/zinc/69/36/66/677693666.db2.gz AVNSIOVXVATVMX-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001075683514 677693668 /nfs/dbraw/zinc/69/36/68/677693668.db2.gz AVNSIOVXVATVMX-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734943 677694114 /nfs/dbraw/zinc/69/41/14/677694114.db2.gz DTXZRCIKKZUXJL-MNOVXSKESA-N 1 1 317.411 -1.395 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734943 677694115 /nfs/dbraw/zinc/69/41/15/677694115.db2.gz DTXZRCIKKZUXJL-MNOVXSKESA-N 1 1 317.411 -1.395 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001028735265 677694136 /nfs/dbraw/zinc/69/41/36/677694136.db2.gz JKIZJMZPIJGECV-NEPJUHHUSA-N 1 1 323.397 -1.414 20 0 DAADMO O=C(CN1CCOCC1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075708414 677694219 /nfs/dbraw/zinc/69/42/19/677694219.db2.gz FLGKNVHPFJVSJN-MELADBBJSA-N 1 1 322.409 -1.260 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710610 677694224 /nfs/dbraw/zinc/69/42/24/677694224.db2.gz CCSSHJKCGLCSFD-HBNTYKKESA-N 1 1 322.369 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075704623 677694227 /nfs/dbraw/zinc/69/42/27/677694227.db2.gz AVCKNRBKFUOMJQ-VHSXEESVSA-N 1 1 308.342 -1.738 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075704623 677694228 /nfs/dbraw/zinc/69/42/28/677694228.db2.gz AVCKNRBKFUOMJQ-VHSXEESVSA-N 1 1 308.342 -1.738 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075704654 677694244 /nfs/dbraw/zinc/69/42/44/677694244.db2.gz FHIUCJHAFXWCJJ-WDEREUQCSA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075704654 677694245 /nfs/dbraw/zinc/69/42/45/677694245.db2.gz FHIUCJHAFXWCJJ-WDEREUQCSA-N 1 1 322.369 -1.395 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001075734347 677694498 /nfs/dbraw/zinc/69/44/98/677694498.db2.gz QNSCOCXLABLYHG-XHVZSJERSA-N 1 1 308.382 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001075734347 677694499 /nfs/dbraw/zinc/69/44/99/677694499.db2.gz QNSCOCXLABLYHG-XHVZSJERSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075728055 677694539 /nfs/dbraw/zinc/69/45/39/677694539.db2.gz VNEUWDPYLRFBEU-KXUCPTDWSA-N 1 1 308.338 -1.002 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075728055 677694540 /nfs/dbraw/zinc/69/45/40/677694540.db2.gz VNEUWDPYLRFBEU-KXUCPTDWSA-N 1 1 308.338 -1.002 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075746815 677694682 /nfs/dbraw/zinc/69/46/82/677694682.db2.gz KRAWQYJPMXJNRS-SDDRHHMPSA-N 1 1 320.353 -1.081 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1cncn1 ZINC001083416217 677696995 /nfs/dbraw/zinc/69/69/95/677696995.db2.gz CSUIDACRBLYSHK-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)n1cncn1 ZINC001083416217 677696996 /nfs/dbraw/zinc/69/69/96/677696996.db2.gz CSUIDACRBLYSHK-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001075812055 677697285 /nfs/dbraw/zinc/69/72/85/677697285.db2.gz SLBWHNIFEQNKIU-GARJFASQSA-N 1 1 322.369 -1.710 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001075812056 677697454 /nfs/dbraw/zinc/69/74/54/677697454.db2.gz SLBWHNIFEQNKIU-OUAUKWLOSA-N 1 1 322.369 -1.710 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418956 677698964 /nfs/dbraw/zinc/69/89/64/677698964.db2.gz JBMTYHUIJIWEPT-AEJSXWLSSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1)OC ZINC001083418828 677698988 /nfs/dbraw/zinc/69/89/88/677698988.db2.gz BWGLHUWCARLPAT-AXFHLTTASA-N 1 1 313.358 -1.430 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083419287 677699224 /nfs/dbraw/zinc/69/92/24/677699224.db2.gz YUJONROVJJLQMC-MNOVXSKESA-N 1 1 321.341 -1.958 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075831441 677699719 /nfs/dbraw/zinc/69/97/19/677699719.db2.gz YRMUGEQTHXIQME-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075831441 677699721 /nfs/dbraw/zinc/69/97/21/677699721.db2.gz YRMUGEQTHXIQME-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)c1N ZINC001083420499 677699732 /nfs/dbraw/zinc/69/97/32/677699732.db2.gz HGGDFCWUERYLOH-JLLWLGSASA-N 1 1 309.370 -1.186 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cncnc1 ZINC001083421010 677699965 /nfs/dbraw/zinc/69/99/65/677699965.db2.gz FVGUBDFAPYAUBF-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cncnc1 ZINC001083421010 677699966 /nfs/dbraw/zinc/69/99/66/677699966.db2.gz FVGUBDFAPYAUBF-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCOCC2)C1)[C@H]1CCNC1=O ZINC001029710489 677702480 /nfs/dbraw/zinc/70/24/80/677702480.db2.gz RTVGLEWQZHAXFM-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681276 677702838 /nfs/dbraw/zinc/70/28/38/677702838.db2.gz IHBYJEGNPCWTOG-VHSXEESVSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681276 677702841 /nfs/dbraw/zinc/70/28/41/677702841.db2.gz IHBYJEGNPCWTOG-VHSXEESVSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)N1C(=O)CCC1=O ZINC000985462301 677702876 /nfs/dbraw/zinc/70/28/76/677702876.db2.gz MFZNIZZFOQOMPT-JTQLQIEISA-N 1 1 324.381 -1.068 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC001029680962 677702892 /nfs/dbraw/zinc/70/28/92/677702892.db2.gz CWDMBBAKYQPDGN-VIFPVBQESA-N 1 1 310.358 -1.736 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001075873856 677704139 /nfs/dbraw/zinc/70/41/39/677704139.db2.gz CZNRCMPRPFHCRK-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001075873856 677704142 /nfs/dbraw/zinc/70/41/42/677704142.db2.gz CZNRCMPRPFHCRK-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888465 677707400 /nfs/dbraw/zinc/70/74/00/677707400.db2.gz KDKIRJNWGNFGLL-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888465 677707405 /nfs/dbraw/zinc/70/74/05/677707405.db2.gz KDKIRJNWGNFGLL-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nccnc1N ZINC000988394482 677709986 /nfs/dbraw/zinc/70/99/86/677709986.db2.gz LTTSDVQKGKGUSY-DTWKUNHWSA-N 1 1 317.357 -1.025 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901300 677710151 /nfs/dbraw/zinc/71/01/51/677710151.db2.gz YJRUHBVFDNMFJF-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901300 677710156 /nfs/dbraw/zinc/71/01/56/677710156.db2.gz YJRUHBVFDNMFJF-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083431014 677711014 /nfs/dbraw/zinc/71/10/14/677711014.db2.gz ALXFRQPCWTXFCU-BNOWGMLFSA-N 1 1 311.382 -1.338 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083434481 677712216 /nfs/dbraw/zinc/71/22/16/677712216.db2.gz GCEUPZHHDRYTRS-NEPJUHHUSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083434481 677712218 /nfs/dbraw/zinc/71/22/18/677712218.db2.gz GCEUPZHHDRYTRS-NEPJUHHUSA-N 1 1 319.369 -1.030 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)CC(N)=O ZINC000988431405 677712330 /nfs/dbraw/zinc/71/23/30/677712330.db2.gz KNNSAETZAVHWEN-UWVGGRQHSA-N 1 1 322.369 -1.237 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083438919 677713332 /nfs/dbraw/zinc/71/33/32/677713332.db2.gz HEZNKNGWZDPGSQ-KOLCDFICSA-N 1 1 323.357 -2.385 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083438919 677713336 /nfs/dbraw/zinc/71/33/36/677713336.db2.gz HEZNKNGWZDPGSQ-KOLCDFICSA-N 1 1 323.357 -2.385 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439849 677713773 /nfs/dbraw/zinc/71/37/73/677713773.db2.gz QRKRVGDSLKGFIB-WOPDTQHZSA-N 1 1 313.354 -1.175 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001075911255 677714400 /nfs/dbraw/zinc/71/44/00/677714400.db2.gz WRPBWEKHIMQGLL-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001075911255 677714406 /nfs/dbraw/zinc/71/44/06/677714406.db2.gz WRPBWEKHIMQGLL-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450168 677716496 /nfs/dbraw/zinc/71/64/96/677716496.db2.gz GOUVPPVNXURHAC-ZJUUUORDSA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083450168 677716498 /nfs/dbraw/zinc/71/64/98/677716498.db2.gz GOUVPPVNXURHAC-ZJUUUORDSA-N 1 1 308.342 -1.790 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)[nH]1 ZINC001083452333 677717188 /nfs/dbraw/zinc/71/71/88/677717188.db2.gz FOXRJKWOQJLOEX-NEPJUHHUSA-N 1 1 319.369 -1.286 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cn(C)nn1 ZINC000988778292 677717260 /nfs/dbraw/zinc/71/72/60/677717260.db2.gz PLGQYDSZTKNEGA-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083453455 677717651 /nfs/dbraw/zinc/71/76/51/677717651.db2.gz HLUCLRAYYMFQGQ-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083453455 677717656 /nfs/dbraw/zinc/71/76/56/677717656.db2.gz HLUCLRAYYMFQGQ-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)nn1 ZINC001083455009 677718233 /nfs/dbraw/zinc/71/82/33/677718233.db2.gz HRBQQDTUCYLLBE-UMNHJUIQSA-N 1 1 313.358 -1.920 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001083459739 677718365 /nfs/dbraw/zinc/71/83/65/677718365.db2.gz YGINCJFYECUJHS-JLLWLGSASA-N 1 1 323.353 -2.084 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccnn1CC(F)F ZINC001083459565 677718501 /nfs/dbraw/zinc/71/85/01/677718501.db2.gz PXIBGJKQNDOCKH-SCZZXKLOSA-N 1 1 304.297 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnn1CC(F)F ZINC001083459565 677718504 /nfs/dbraw/zinc/71/85/04/677718504.db2.gz PXIBGJKQNDOCKH-SCZZXKLOSA-N 1 1 304.297 -1.085 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001075941401 677719985 /nfs/dbraw/zinc/71/99/85/677719985.db2.gz TVPSEVRHLCDCBX-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001075941565 677720030 /nfs/dbraw/zinc/72/00/30/677720030.db2.gz YANWIODAVSOKII-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001083463788 677720480 /nfs/dbraw/zinc/72/04/80/677720480.db2.gz APGJLEKJILLZQP-XQQFMLRXSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083464234 677720555 /nfs/dbraw/zinc/72/05/55/677720555.db2.gz WMDJZNMGCSMUSG-ZJUUUORDSA-N 1 1 307.318 -2.874 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083464234 677720557 /nfs/dbraw/zinc/72/05/57/677720557.db2.gz WMDJZNMGCSMUSG-ZJUUUORDSA-N 1 1 307.318 -2.874 20 0 DAADMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1)C1CCC1 ZINC001083464247 677720589 /nfs/dbraw/zinc/72/05/89/677720589.db2.gz WZEJWEVYDFNXMO-AGIUHOORSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083463807 677720759 /nfs/dbraw/zinc/72/07/59/677720759.db2.gz BGQYTLJEHRFPIL-XQQFMLRXSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083463866 677720874 /nfs/dbraw/zinc/72/08/74/677720874.db2.gz DVLKDEPZSTYKGQ-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001075942546 677720886 /nfs/dbraw/zinc/72/08/86/677720886.db2.gz KPEZWVFBFXJGAZ-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)O1 ZINC000990187693 677721681 /nfs/dbraw/zinc/72/16/81/677721681.db2.gz JBDWDRIAAOCBSY-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)O1 ZINC000990187693 677721683 /nfs/dbraw/zinc/72/16/83/677721683.db2.gz JBDWDRIAAOCBSY-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1=O ZINC001075965901 677722947 /nfs/dbraw/zinc/72/29/47/677722947.db2.gz IFFOHNGLKCAOPI-QWHCGFSZSA-N 1 1 310.398 -1.715 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075969312 677723064 /nfs/dbraw/zinc/72/30/64/677723064.db2.gz XSFWRILXUBQHRY-GARJFASQSA-N 1 1 322.369 -2.012 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075969312 677723066 /nfs/dbraw/zinc/72/30/66/677723066.db2.gz XSFWRILXUBQHRY-GARJFASQSA-N 1 1 322.369 -2.012 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075963842 677723152 /nfs/dbraw/zinc/72/31/52/677723152.db2.gz YKCUFWFKWXGOOO-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985214 677723470 /nfs/dbraw/zinc/72/34/70/677723470.db2.gz AIUZFJNIQSZKCB-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985214 677723473 /nfs/dbraw/zinc/72/34/73/677723473.db2.gz AIUZFJNIQSZKCB-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075982760 677723713 /nfs/dbraw/zinc/72/37/13/677723713.db2.gz BYJJAHCHYXZPCM-JMJZKYOTSA-N 1 1 318.337 -1.244 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473514 677723929 /nfs/dbraw/zinc/72/39/29/677723929.db2.gz GNCUHXCZJNISOY-ZJUUUORDSA-N 1 1 310.358 -1.806 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)CC[N@H+]1C ZINC001083473140 677724011 /nfs/dbraw/zinc/72/40/11/677724011.db2.gz KQRUGENNFILFPJ-SYQHCUMBSA-N 1 1 322.413 -1.220 20 0 DAADMO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083484349 677725321 /nfs/dbraw/zinc/72/53/21/677725321.db2.gz FWZDYMMDAWLSCQ-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083484349 677725324 /nfs/dbraw/zinc/72/53/24/677725324.db2.gz FWZDYMMDAWLSCQ-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487365 677725817 /nfs/dbraw/zinc/72/58/17/677725817.db2.gz ROEXQULEHALTAK-WCQGTBRESA-N 1 1 318.395 -1.771 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487365 677725819 /nfs/dbraw/zinc/72/58/19/677725819.db2.gz ROEXQULEHALTAK-WCQGTBRESA-N 1 1 318.395 -1.771 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083490941 677725846 /nfs/dbraw/zinc/72/58/46/677725846.db2.gz FHSHDBPQJXQSOI-GDPRMGEGSA-N 1 1 306.326 -1.720 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083491953 677725900 /nfs/dbraw/zinc/72/59/00/677725900.db2.gz DQJVOQBNZYLTID-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083491953 677725904 /nfs/dbraw/zinc/72/59/04/677725904.db2.gz DQJVOQBNZYLTID-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1=O ZINC001083502626 677727983 /nfs/dbraw/zinc/72/79/83/677727983.db2.gz OMDPEHDJKXZHFS-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1=O ZINC001083502626 677727986 /nfs/dbraw/zinc/72/79/86/677727986.db2.gz OMDPEHDJKXZHFS-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO CC(C)CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504019 677728405 /nfs/dbraw/zinc/72/84/05/677728405.db2.gz MGBQLLOVQOXZPM-XQQFMLRXSA-N 1 1 313.398 -1.356 20 0 DAADMO O=C(CN1CCCCCCC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083506636 677728512 /nfs/dbraw/zinc/72/85/12/677728512.db2.gz SNBCLAZZZBABIN-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040315198 677728711 /nfs/dbraw/zinc/72/87/11/677728711.db2.gz DPIUUVSRKPNWPV-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO O=C(Cn1ccc(C(F)F)n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083512398 677728978 /nfs/dbraw/zinc/72/89/78/677728978.db2.gz MRUGSRPTFBBUNW-ZJUUUORDSA-N 1 1 304.297 -1.026 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083507044 677729069 /nfs/dbraw/zinc/72/90/69/677729069.db2.gz OJENETXKGQCTKN-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076002252 677729112 /nfs/dbraw/zinc/72/91/12/677729112.db2.gz VBQJMSPUFCKUTO-WDEREUQCSA-N 1 1 308.338 -1.526 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 ZINC001083527712 677731145 /nfs/dbraw/zinc/73/11/45/677731145.db2.gz GSLFKVCJDRBQPA-XWIASGKRSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn2ccncc12 ZINC001083527629 677731245 /nfs/dbraw/zinc/73/12/45/677731245.db2.gz CUCCZDNPEGYWKH-YPMHNXCESA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083533979 677731703 /nfs/dbraw/zinc/73/17/03/677731703.db2.gz UGMYJRRUZQLEOW-KGLIPLIRSA-N 1 1 319.361 -1.123 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529883 677731758 /nfs/dbraw/zinc/73/17/58/677731758.db2.gz LJZYTODMKOFCED-MXWKQRLJSA-N 1 1 301.343 -2.613 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083534248 677731781 /nfs/dbraw/zinc/73/17/81/677731781.db2.gz KDZYXBBUQJNGDP-AXFHLTTASA-N 1 1 310.354 -1.454 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001076026968 677732145 /nfs/dbraw/zinc/73/21/45/677732145.db2.gz AZBMPCKOTQAKLR-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001076026968 677732146 /nfs/dbraw/zinc/73/21/46/677732146.db2.gz AZBMPCKOTQAKLR-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCCN1c1ncccn1 ZINC001083539468 677732936 /nfs/dbraw/zinc/73/29/36/677732936.db2.gz ZPLNWMVCHOLIDC-AGIUHOORSA-N 1 1 321.381 -1.401 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCCN1c1ncccn1 ZINC001083539468 677732940 /nfs/dbraw/zinc/73/29/40/677732940.db2.gz ZPLNWMVCHOLIDC-AGIUHOORSA-N 1 1 321.381 -1.401 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001076027744 677733001 /nfs/dbraw/zinc/73/30/01/677733001.db2.gz XRWSMWWMKSUIFH-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001076027744 677733004 /nfs/dbraw/zinc/73/30/04/677733004.db2.gz XRWSMWWMKSUIFH-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083541772 677733408 /nfs/dbraw/zinc/73/34/08/677733408.db2.gz YRZQCLKYFHNWDD-OCCSQVGLSA-N 1 1 308.382 -1.085 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126108 677733982 /nfs/dbraw/zinc/73/39/82/677733982.db2.gz LYNVWGSTKNDEBN-WCFLWFBJSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126108 677733984 /nfs/dbraw/zinc/73/39/84/677733984.db2.gz LYNVWGSTKNDEBN-WCFLWFBJSA-N 1 1 318.381 -1.016 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001076126187 677734061 /nfs/dbraw/zinc/73/40/61/677734061.db2.gz OWMOPXAKLOCURP-CYZMBNFOSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001076126187 677734064 /nfs/dbraw/zinc/73/40/64/677734064.db2.gz OWMOPXAKLOCURP-CYZMBNFOSA-N 1 1 320.393 -1.066 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128156 677734181 /nfs/dbraw/zinc/73/41/81/677734181.db2.gz GFIUYMUPVHNGAQ-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128308 677734260 /nfs/dbraw/zinc/73/42/60/677734260.db2.gz PELBZCFORKSFAB-GRYCIOLGSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128308 677734265 /nfs/dbraw/zinc/73/42/65/677734265.db2.gz PELBZCFORKSFAB-GRYCIOLGSA-N 1 1 323.397 -2.175 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133303 677734294 /nfs/dbraw/zinc/73/42/94/677734294.db2.gz RUYALWZAHIHQTN-QJPTWQEYSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133303 677734298 /nfs/dbraw/zinc/73/42/98/677734298.db2.gz RUYALWZAHIHQTN-QJPTWQEYSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126276 677734413 /nfs/dbraw/zinc/73/44/13/677734413.db2.gz RYHQURAXXOEZTH-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126276 677734416 /nfs/dbraw/zinc/73/44/16/677734416.db2.gz RYHQURAXXOEZTH-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC001076136492 677734439 /nfs/dbraw/zinc/73/44/39/677734439.db2.gz DJNQJUAJLZWUJJ-WDEREUQCSA-N 1 1 319.369 -1.411 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC001076136492 677734440 /nfs/dbraw/zinc/73/44/40/677734440.db2.gz DJNQJUAJLZWUJJ-WDEREUQCSA-N 1 1 319.369 -1.411 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001076198514 677735544 /nfs/dbraw/zinc/73/55/44/677735544.db2.gz ABSJASRQRKZLRB-WDEREUQCSA-N 1 1 310.354 -2.137 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001076198514 677735545 /nfs/dbraw/zinc/73/55/45/677735545.db2.gz ABSJASRQRKZLRB-WDEREUQCSA-N 1 1 310.354 -2.137 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001076197157 677735587 /nfs/dbraw/zinc/73/55/87/677735587.db2.gz YGEOYGPXTLKXNU-ZMLRMANQSA-N 1 1 321.381 -1.521 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001076197157 677735590 /nfs/dbraw/zinc/73/55/90/677735590.db2.gz YGEOYGPXTLKXNU-ZMLRMANQSA-N 1 1 321.381 -1.521 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076249151 677737080 /nfs/dbraw/zinc/73/70/80/677737080.db2.gz XAQZWZAXJDKIKR-ZBAXXZLZSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076249151 677737082 /nfs/dbraw/zinc/73/70/82/677737082.db2.gz XAQZWZAXJDKIKR-ZBAXXZLZSA-N 1 1 318.381 -1.031 20 0 DAADMO CNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076254288 677737247 /nfs/dbraw/zinc/73/72/47/677737247.db2.gz IOUHANCFIUFXAV-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076254288 677737249 /nfs/dbraw/zinc/73/72/49/677737249.db2.gz IOUHANCFIUFXAV-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001076319206 677738593 /nfs/dbraw/zinc/73/85/93/677738593.db2.gz GNWUPUCNBCHQEF-VHSXEESVSA-N 1 1 324.337 -2.068 20 0 DAADMO C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076333733 677739318 /nfs/dbraw/zinc/73/93/18/677739318.db2.gz FFMSDIAMAQOBRS-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076333733 677739324 /nfs/dbraw/zinc/73/93/24/677739324.db2.gz FFMSDIAMAQOBRS-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076353846 677739649 /nfs/dbraw/zinc/73/96/49/677739649.db2.gz WQCICEKKAPPYMD-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076353846 677739651 /nfs/dbraw/zinc/73/96/51/677739651.db2.gz WQCICEKKAPPYMD-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355739 677739861 /nfs/dbraw/zinc/73/98/61/677739861.db2.gz CWJQMJAWVQECIG-JBLDHEPKSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369225 677740191 /nfs/dbraw/zinc/74/01/91/677740191.db2.gz MLVWAKYFQNEKCO-OUAUKWLOSA-N 1 1 310.354 -1.548 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001076364873 677740248 /nfs/dbraw/zinc/74/02/48/677740248.db2.gz WYDYVHHDCQJDOD-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001076364873 677740250 /nfs/dbraw/zinc/74/02/50/677740250.db2.gz WYDYVHHDCQJDOD-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369229 677740317 /nfs/dbraw/zinc/74/03/17/677740317.db2.gz MUHRBYJDSJIDKX-VHSXEESVSA-N 1 1 323.353 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369229 677740319 /nfs/dbraw/zinc/74/03/19/677740319.db2.gz MUHRBYJDSJIDKX-VHSXEESVSA-N 1 1 323.353 -2.183 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369224 677740387 /nfs/dbraw/zinc/74/03/87/677740387.db2.gz MLVWAKYFQNEKCO-GARJFASQSA-N 1 1 310.354 -1.548 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437573 677741673 /nfs/dbraw/zinc/74/16/73/677741673.db2.gz MAPLNNADAUZYQA-GRYCIOLGSA-N 1 1 324.381 -1.158 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076429268 677742123 /nfs/dbraw/zinc/74/21/23/677742123.db2.gz HBLXYGUDSQWIAG-WDEREUQCSA-N 1 1 324.381 -1.158 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076517090 677742896 /nfs/dbraw/zinc/74/28/96/677742896.db2.gz IAHYEPKIQDHXDX-BFHYXJOUSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076544997 677744370 /nfs/dbraw/zinc/74/43/70/677744370.db2.gz JOHUFCRLCNPAFJ-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548699 677744382 /nfs/dbraw/zinc/74/43/82/677744382.db2.gz DSISAQRZADFPQF-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548699 677744383 /nfs/dbraw/zinc/74/43/83/677744383.db2.gz DSISAQRZADFPQF-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076581876 677744788 /nfs/dbraw/zinc/74/47/88/677744788.db2.gz BHUDNPIHPHEKGU-QJPTWQEYSA-N 1 1 317.411 -1.407 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)nn1 ZINC001076607517 677745471 /nfs/dbraw/zinc/74/54/71/677745471.db2.gz KUGKGGVHHUHYAX-GXSJLCMTSA-N 1 1 310.333 -1.121 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)nn1 ZINC001076607517 677745473 /nfs/dbraw/zinc/74/54/73/677745473.db2.gz KUGKGGVHHUHYAX-GXSJLCMTSA-N 1 1 310.333 -1.121 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)nn1 ZINC001076607715 677745502 /nfs/dbraw/zinc/74/55/02/677745502.db2.gz ZYJHVQSLADHEEI-GXSJLCMTSA-N 1 1 308.342 -2.098 20 0 DAADMO Cn1cc(CCC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076642147 677746722 /nfs/dbraw/zinc/74/67/22/677746722.db2.gz WFMJVORVMZBXAS-CMPLNLGQSA-N 1 1 306.370 -1.234 20 0 DAADMO Cn1cc(CCC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076642147 677746726 /nfs/dbraw/zinc/74/67/26/677746726.db2.gz WFMJVORVMZBXAS-CMPLNLGQSA-N 1 1 306.370 -1.234 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001076653737 677747977 /nfs/dbraw/zinc/74/79/77/677747977.db2.gz ZPQUYIWUTXQJSJ-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001076665339 677747983 /nfs/dbraw/zinc/74/79/83/677747983.db2.gz KSOSPFZYTFCHJD-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001076665524 677748076 /nfs/dbraw/zinc/74/80/76/677748076.db2.gz SUVWAIRHCWYYTN-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC001076665524 677748077 /nfs/dbraw/zinc/74/80/77/677748077.db2.gz SUVWAIRHCWYYTN-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCCC1 ZINC001076666553 677748087 /nfs/dbraw/zinc/74/80/87/677748087.db2.gz YLFGABGJEFOLJJ-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCCC1 ZINC001076666553 677748090 /nfs/dbraw/zinc/74/80/90/677748090.db2.gz YLFGABGJEFOLJJ-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001076658569 677748389 /nfs/dbraw/zinc/74/83/89/677748389.db2.gz DXHHZKMQTWCPOX-GHMZBOCLSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cccnc1 ZINC001076685686 677748681 /nfs/dbraw/zinc/74/86/81/677748681.db2.gz PPQXCLWTTKKJAB-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cccnc1 ZINC001076685686 677748686 /nfs/dbraw/zinc/74/86/86/677748686.db2.gz PPQXCLWTTKKJAB-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076709860 677750102 /nfs/dbraw/zinc/75/01/02/677750102.db2.gz GHKQDWQLNJMATQ-CHWSQXEVSA-N 1 1 318.337 -1.613 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076709860 677750104 /nfs/dbraw/zinc/75/01/04/677750104.db2.gz GHKQDWQLNJMATQ-CHWSQXEVSA-N 1 1 318.337 -1.613 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC001076709824 677750114 /nfs/dbraw/zinc/75/01/14/677750114.db2.gz DQEHYZGOBBUGSG-GHMZBOCLSA-N 1 1 309.326 -1.672 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC001076709824 677750118 /nfs/dbraw/zinc/75/01/18/677750118.db2.gz DQEHYZGOBBUGSG-GHMZBOCLSA-N 1 1 309.326 -1.672 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713321 677750635 /nfs/dbraw/zinc/75/06/35/677750635.db2.gz VQCJNLVIWYYYQK-YUSALJHKSA-N 1 1 308.338 -1.006 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723173 677751251 /nfs/dbraw/zinc/75/12/51/677751251.db2.gz NXHODBUIQVHDSF-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723173 677751255 /nfs/dbraw/zinc/75/12/55/677751255.db2.gz NXHODBUIQVHDSF-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723999 677751652 /nfs/dbraw/zinc/75/16/52/677751652.db2.gz GJDVWCYMXFNKIQ-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723999 677751656 /nfs/dbraw/zinc/75/16/56/677751656.db2.gz GJDVWCYMXFNKIQ-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001076723916 677751733 /nfs/dbraw/zinc/75/17/33/677751733.db2.gz FLSJEHWOJZBHLF-QJPTWQEYSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001076724301 677751839 /nfs/dbraw/zinc/75/18/39/677751839.db2.gz NZVBNWYIXUPPBW-QJPTWQEYSA-N 1 1 310.358 -1.739 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724231 677751847 /nfs/dbraw/zinc/75/18/47/677751847.db2.gz KYJHAYLDHURDKF-NXEZZACHSA-N 1 1 323.382 -1.200 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724231 677751851 /nfs/dbraw/zinc/75/18/51/677751851.db2.gz KYJHAYLDHURDKF-NXEZZACHSA-N 1 1 323.382 -1.200 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076728552 677752090 /nfs/dbraw/zinc/75/20/90/677752090.db2.gz LZRHGADAODKIII-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076728552 677752096 /nfs/dbraw/zinc/75/20/96/677752096.db2.gz LZRHGADAODKIII-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001076724411 677752309 /nfs/dbraw/zinc/75/23/09/677752309.db2.gz UKEFWQSEDDGQOD-IJLUTSLNSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076737812 677753013 /nfs/dbraw/zinc/75/30/13/677753013.db2.gz ZJXFVDRDOJQIBD-VXGBXAGGSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076737812 677753016 /nfs/dbraw/zinc/75/30/16/677753016.db2.gz ZJXFVDRDOJQIBD-VXGBXAGGSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076758810 677754253 /nfs/dbraw/zinc/75/42/53/677754253.db2.gz DZPWPGYWBMBTEF-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076758810 677754258 /nfs/dbraw/zinc/75/42/58/677754258.db2.gz DZPWPGYWBMBTEF-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)n1cccn1 ZINC001076765585 677754753 /nfs/dbraw/zinc/75/47/53/677754753.db2.gz JHUCHIRPGZHBFA-YNEHKIRRSA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)n1cccn1 ZINC001076765585 677754756 /nfs/dbraw/zinc/75/47/56/677754756.db2.gz JHUCHIRPGZHBFA-YNEHKIRRSA-N 1 1 319.369 -1.103 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001083553581 677755332 /nfs/dbraw/zinc/75/53/32/677755332.db2.gz MBZSGKYIIJSPFV-YPMHNXCESA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083553581 677755335 /nfs/dbraw/zinc/75/53/35/677755335.db2.gz MBZSGKYIIJSPFV-YPMHNXCESA-N 1 1 312.370 -1.049 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001076770354 677755464 /nfs/dbraw/zinc/75/54/64/677755464.db2.gz PPKCQEVNOMYTKG-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001076770354 677755466 /nfs/dbraw/zinc/75/54/66/677755466.db2.gz PPKCQEVNOMYTKG-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)[nH]n1 ZINC001076781330 677756327 /nfs/dbraw/zinc/75/63/27/677756327.db2.gz XXYYFDRFZMHVLY-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)[nH]n1 ZINC001076781330 677756330 /nfs/dbraw/zinc/75/63/30/677756330.db2.gz XXYYFDRFZMHVLY-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]3O)nn2c1 ZINC001083554505 677758380 /nfs/dbraw/zinc/75/83/80/677758380.db2.gz JDEAKLASWFRWKK-MXWKQRLJSA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3O)nn2c1 ZINC001083554505 677758382 /nfs/dbraw/zinc/75/83/82/677758382.db2.gz JDEAKLASWFRWKK-MXWKQRLJSA-N 1 1 320.353 -1.412 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cocn1 ZINC001076809907 677758473 /nfs/dbraw/zinc/75/84/73/677758473.db2.gz RKDUKJQPNYGHBM-NQBHXWOUSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cocn1 ZINC001076809907 677758475 /nfs/dbraw/zinc/75/84/75/677758475.db2.gz RKDUKJQPNYGHBM-NQBHXWOUSA-N 1 1 321.337 -1.293 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001076816628 677758910 /nfs/dbraw/zinc/75/89/10/677758910.db2.gz RGRIXHFZBDZSER-HBNTYKKESA-N 1 1 307.354 -1.130 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076810549 677759459 /nfs/dbraw/zinc/75/94/59/677759459.db2.gz LPWMKQORJHRJJL-JHJVBQTASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001076812703 677759810 /nfs/dbraw/zinc/75/98/10/677759810.db2.gz QWHKRKWMSGJGCA-FRRDWIJNSA-N 1 1 308.386 -1.429 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001076811723 677759839 /nfs/dbraw/zinc/75/98/39/677759839.db2.gz RRBXAXYWARYQHX-FRRDWIJNSA-N 1 1 310.398 -1.526 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076826275 677760473 /nfs/dbraw/zinc/76/04/73/677760473.db2.gz AJGSMCHDCPSHJN-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076826275 677760474 /nfs/dbraw/zinc/76/04/74/677760474.db2.gz AJGSMCHDCPSHJN-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)nnn1C ZINC001076832029 677760814 /nfs/dbraw/zinc/76/08/14/677760814.db2.gz QWVSEORDBZXNNP-GHMZBOCLSA-N 1 1 320.357 -1.810 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nnn1C ZINC001076832029 677760820 /nfs/dbraw/zinc/76/08/20/677760820.db2.gz QWVSEORDBZXNNP-GHMZBOCLSA-N 1 1 320.357 -1.810 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)C1 ZINC001076834087 677761488 /nfs/dbraw/zinc/76/14/88/677761488.db2.gz DSVGNQPDJMWWRV-JHJVBQTASA-N 1 1 321.381 -1.532 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@H]2O)C1 ZINC001076834087 677761489 /nfs/dbraw/zinc/76/14/89/677761489.db2.gz DSVGNQPDJMWWRV-JHJVBQTASA-N 1 1 321.381 -1.532 20 0 DAADMO Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076834148 677761557 /nfs/dbraw/zinc/76/15/57/677761557.db2.gz GFYWYMCPWCHKJG-MGPQQGTHSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076834148 677761558 /nfs/dbraw/zinc/76/15/58/677761558.db2.gz GFYWYMCPWCHKJG-MGPQQGTHSA-N 1 1 323.397 -1.588 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC001076834374 677761602 /nfs/dbraw/zinc/76/16/02/677761602.db2.gz PCKNYYFIOIPPCN-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001076834374 677761604 /nfs/dbraw/zinc/76/16/04/677761604.db2.gz PCKNYYFIOIPPCN-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC001076834375 677761628 /nfs/dbraw/zinc/76/16/28/677761628.db2.gz PCKNYYFIOIPPCN-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001076834375 677761630 /nfs/dbraw/zinc/76/16/30/677761630.db2.gz PCKNYYFIOIPPCN-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001076838774 677761700 /nfs/dbraw/zinc/76/17/00/677761700.db2.gz MCBJXHHWVACVPS-UTUOFQBUSA-N 1 1 311.342 -1.939 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001076838774 677761702 /nfs/dbraw/zinc/76/17/02/677761702.db2.gz MCBJXHHWVACVPS-UTUOFQBUSA-N 1 1 311.342 -1.939 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076836011 677761823 /nfs/dbraw/zinc/76/18/23/677761823.db2.gz UKOAFZWAWBAGKR-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076836011 677761825 /nfs/dbraw/zinc/76/18/25/677761825.db2.gz UKOAFZWAWBAGKR-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838549 677761880 /nfs/dbraw/zinc/76/18/80/677761880.db2.gz CIGHJBNVFWQRIG-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838549 677761883 /nfs/dbraw/zinc/76/18/83/677761883.db2.gz CIGHJBNVFWQRIG-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076834106 677761888 /nfs/dbraw/zinc/76/18/88/677761888.db2.gz FASAGOLKXPVWOC-UTUOFQBUSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076834106 677761893 /nfs/dbraw/zinc/76/18/93/677761893.db2.gz FASAGOLKXPVWOC-UTUOFQBUSA-N 1 1 324.385 -2.193 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076874295 677763351 /nfs/dbraw/zinc/76/33/51/677763351.db2.gz ZGZDCKYMKNSAOR-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076874295 677763357 /nfs/dbraw/zinc/76/33/57/677763357.db2.gz ZGZDCKYMKNSAOR-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076884445 677765099 /nfs/dbraw/zinc/76/50/99/677765099.db2.gz UUNGQBSNOGMPEC-YNEHKIRRSA-N 1 1 322.365 -1.002 20 0 DAADMO CC1(C)C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076897020 677765940 /nfs/dbraw/zinc/76/59/40/677765940.db2.gz CPYGVPINHXGSIE-HBNTYKKESA-N 1 1 324.381 -1.254 20 0 DAADMO CC1(C)C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076897020 677765942 /nfs/dbraw/zinc/76/59/42/677765942.db2.gz CPYGVPINHXGSIE-HBNTYKKESA-N 1 1 324.381 -1.254 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076900043 677766559 /nfs/dbraw/zinc/76/65/59/677766559.db2.gz UMQZUGFKBMRKFC-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076910301 677766784 /nfs/dbraw/zinc/76/67/84/677766784.db2.gz IDNRQSQLYVBHJR-NXEZZACHSA-N 1 1 322.329 -2.563 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076910301 677766785 /nfs/dbraw/zinc/76/67/85/677766785.db2.gz IDNRQSQLYVBHJR-NXEZZACHSA-N 1 1 322.329 -2.563 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076902313 677767073 /nfs/dbraw/zinc/76/70/73/677767073.db2.gz SFKDIXWJHGNLJG-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076908975 677768465 /nfs/dbraw/zinc/76/84/65/677768465.db2.gz XMKRPYCPHAEQRX-HZSPNIEDSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076908975 677768467 /nfs/dbraw/zinc/76/84/67/677768467.db2.gz XMKRPYCPHAEQRX-HZSPNIEDSA-N 1 1 323.397 -1.625 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)n1cncn1 ZINC001076906209 677768490 /nfs/dbraw/zinc/76/84/90/677768490.db2.gz QXSJLAZGLCEGNL-QJPTWQEYSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)n1cncn1 ZINC001076906209 677768496 /nfs/dbraw/zinc/76/84/96/677768496.db2.gz QXSJLAZGLCEGNL-QJPTWQEYSA-N 1 1 320.357 -1.708 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076967112 677774464 /nfs/dbraw/zinc/77/44/64/677774464.db2.gz DNWRSMMIXGQMID-IVZWLZJFSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076967112 677774467 /nfs/dbraw/zinc/77/44/67/677774467.db2.gz DNWRSMMIXGQMID-IVZWLZJFSA-N 1 1 318.324 -1.172 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 ZINC001076989897 677777020 /nfs/dbraw/zinc/77/70/20/677777020.db2.gz OYJFDZXUEVHPQG-CHWSQXEVSA-N 1 1 309.366 -1.036 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986100 677777029 /nfs/dbraw/zinc/77/70/29/677777029.db2.gz KLSGBKAAIQTBAL-JHJVBQTASA-N 1 1 312.414 -1.234 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)nn1 ZINC001076984864 677777234 /nfs/dbraw/zinc/77/72/34/677777234.db2.gz HRBQQDTUCYLLBE-HOSYDEDBSA-N 1 1 313.358 -1.920 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001077001579 677777497 /nfs/dbraw/zinc/77/74/97/677777497.db2.gz APGJLEKJILLZQP-YNEHKIRRSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077002019 677778181 /nfs/dbraw/zinc/77/81/81/677778181.db2.gz YBGITSOAIBWJLG-IJLUTSLNSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077002765 677778219 /nfs/dbraw/zinc/77/82/19/677778219.db2.gz GMPKTIQJIHWVHE-VXGBXAGGSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077004025 677778880 /nfs/dbraw/zinc/77/88/80/677778880.db2.gz JZHNLVOGTIXJPI-IJLUTSLNSA-N 1 1 310.358 -1.739 20 0 DAADMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001077004283 677779083 /nfs/dbraw/zinc/77/90/83/677779083.db2.gz WZEJWEVYDFNXMO-JHJVBQTASA-N 1 1 324.385 -1.351 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026990 677779319 /nfs/dbraw/zinc/77/93/19/677779319.db2.gz WQMDKEPQBLYLMZ-DJLDLDEBSA-N 1 1 312.330 -3.081 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)CC[N@H+]1C ZINC001077023673 677779919 /nfs/dbraw/zinc/77/99/19/677779919.db2.gz MVMZZYXACBMNQZ-FMKGYKFTSA-N 1 1 324.425 -1.234 20 0 DAADMO O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077034360 677780057 /nfs/dbraw/zinc/78/00/57/677780057.db2.gz UXQLHJIDCDTLQH-CHWSQXEVSA-N 1 1 308.382 -1.085 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)CC[N@H+]1C ZINC001077023463 677780300 /nfs/dbraw/zinc/78/03/00/677780300.db2.gz AYXCLMKXRJCFJU-FDYHWXHSSA-N 1 1 322.413 -1.183 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)CC[N@H+]1C ZINC001077023476 677780391 /nfs/dbraw/zinc/78/03/91/677780391.db2.gz BQJUFKYWMSVHMA-FMKGYKFTSA-N 1 1 322.413 -1.183 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054692 677780707 /nfs/dbraw/zinc/78/07/07/677780707.db2.gz XRLIJBKFAVQXCP-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054692 677780711 /nfs/dbraw/zinc/78/07/11/677780711.db2.gz XRLIJBKFAVQXCP-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077063236 677780932 /nfs/dbraw/zinc/78/09/32/677780932.db2.gz DQJVOQBNZYLTID-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077063236 677780936 /nfs/dbraw/zinc/78/09/36/677780936.db2.gz DQJVOQBNZYLTID-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077063669 677781485 /nfs/dbraw/zinc/78/14/85/677781485.db2.gz XQPJYJDRAZGGGP-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO CC(C)N1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1=O ZINC001077084297 677782158 /nfs/dbraw/zinc/78/21/58/677782158.db2.gz PAZHOJZILZYZEI-JHJVBQTASA-N 1 1 313.398 -1.213 20 0 DAADMO O=C(CN1CCCCCCC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077093500 677782495 /nfs/dbraw/zinc/78/24/95/677782495.db2.gz SNBCLAZZZBABIN-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077093322 677782688 /nfs/dbraw/zinc/78/26/88/677782688.db2.gz IIBMUHVDOQFSEU-NXEZZACHSA-N 1 1 307.372 -2.825 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001077087206 677783117 /nfs/dbraw/zinc/78/31/17/677783117.db2.gz ABQHCHBTVFWUDX-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001077096114 677783402 /nfs/dbraw/zinc/78/34/02/677783402.db2.gz ZVODJDGVUZHKNJ-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001077096114 677783405 /nfs/dbraw/zinc/78/34/05/677783405.db2.gz ZVODJDGVUZHKNJ-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1C(=O)CCC1=O ZINC001077087661 677783414 /nfs/dbraw/zinc/78/34/14/677783414.db2.gz PCBWGEIULLNWFM-HBNTYKKESA-N 1 1 313.354 -1.932 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001077101331 677783714 /nfs/dbraw/zinc/78/37/14/677783714.db2.gz NDHPJIBJRAORCH-GGZOMVNGSA-N 1 1 310.354 -1.051 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077101331 677783717 /nfs/dbraw/zinc/78/37/17/677783717.db2.gz NDHPJIBJRAORCH-GGZOMVNGSA-N 1 1 310.354 -1.051 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001077119249 677784460 /nfs/dbraw/zinc/78/44/60/677784460.db2.gz GQGUVWUOYGWZIY-HOSYDEDBSA-N 1 1 305.338 -1.115 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077128164 677784986 /nfs/dbraw/zinc/78/49/86/677784986.db2.gz ZPZRDISQOIWASO-YNEHKIRRSA-N 1 1 312.414 -1.389 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077128163 677785039 /nfs/dbraw/zinc/78/50/39/677785039.db2.gz ZPZRDISQOIWASO-JHJVBQTASA-N 1 1 312.414 -1.389 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140763 677785838 /nfs/dbraw/zinc/78/58/38/677785838.db2.gz DAOBHPQCHHAQFZ-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001077144504 677785880 /nfs/dbraw/zinc/78/58/80/677785880.db2.gz JNDGKMHKALKCLE-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001077144504 677785885 /nfs/dbraw/zinc/78/58/85/677785885.db2.gz JNDGKMHKALKCLE-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)O1 ZINC001083565085 677785912 /nfs/dbraw/zinc/78/59/12/677785912.db2.gz AELFZYPVSVWJDX-FVCCEPFGSA-N 1 1 301.387 -1.751 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785943 /nfs/dbraw/zinc/78/59/43/677785943.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 1 1 301.387 -1.487 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565133 677785945 /nfs/dbraw/zinc/78/59/45/677785945.db2.gz CQHMXXGADBGYFR-FVCCEPFGSA-N 1 1 301.387 -1.487 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077159962 677787446 /nfs/dbraw/zinc/78/74/46/677787446.db2.gz BCDIILPTPPIWJZ-DGAVXFQQSA-N 1 1 324.381 -1.152 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077159962 677787463 /nfs/dbraw/zinc/78/74/63/677787463.db2.gz BCDIILPTPPIWJZ-DGAVXFQQSA-N 1 1 324.381 -1.152 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077156480 677788113 /nfs/dbraw/zinc/78/81/13/677788113.db2.gz GTXHIKZLWOZUIS-HBNTYKKESA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077156712 677788197 /nfs/dbraw/zinc/78/81/97/677788197.db2.gz KMCOPYOEGNDOOT-DJLDLDEBSA-N 1 1 300.315 -2.872 20 0 DAADMO O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077170343 677788654 /nfs/dbraw/zinc/78/86/54/677788654.db2.gz YRZQCLKYFHNWDD-TZMCWYRMSA-N 1 1 308.382 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001077175688 677788746 /nfs/dbraw/zinc/78/87/46/677788746.db2.gz JNUADEXTTAPCHW-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170258 677788822 /nfs/dbraw/zinc/78/88/22/677788822.db2.gz USTZGOUFTHYGGB-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170258 677788824 /nfs/dbraw/zinc/78/88/24/677788824.db2.gz USTZGOUFTHYGGB-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCCN1c1ncccn1 ZINC001077165795 677788877 /nfs/dbraw/zinc/78/88/77/677788877.db2.gz ZPLNWMVCHOLIDC-FRRDWIJNSA-N 1 1 321.381 -1.401 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCCN1c1ncccn1 ZINC001077165795 677788880 /nfs/dbraw/zinc/78/88/80/677788880.db2.gz ZPLNWMVCHOLIDC-FRRDWIJNSA-N 1 1 321.381 -1.401 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566596 677789218 /nfs/dbraw/zinc/78/92/18/677789218.db2.gz SHIUBTLEQVTLAO-WISYIIOYSA-N 1 1 314.386 -2.387 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566596 677789220 /nfs/dbraw/zinc/78/92/20/677789220.db2.gz SHIUBTLEQVTLAO-WISYIIOYSA-N 1 1 314.386 -2.387 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c(c1)NC(=O)CO2 ZINC001077171739 677789502 /nfs/dbraw/zinc/78/95/02/677789502.db2.gz REUISTUNXVIPLE-VXGBXAGGSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(c1)NC(=O)CO2 ZINC001077171739 677789507 /nfs/dbraw/zinc/78/95/07/677789507.db2.gz REUISTUNXVIPLE-VXGBXAGGSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001077187368 677789775 /nfs/dbraw/zinc/78/97/75/677789775.db2.gz OPFNMZPFVWPPLD-JHJVBQTASA-N 1 1 321.381 -1.287 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001077187368 677789779 /nfs/dbraw/zinc/78/97/79/677789779.db2.gz OPFNMZPFVWPPLD-JHJVBQTASA-N 1 1 321.381 -1.287 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccn(CC(F)F)n1 ZINC001077188486 677790647 /nfs/dbraw/zinc/79/06/47/677790647.db2.gz HMWIJGDHOPLKQB-NXEZZACHSA-N 1 1 304.297 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccn(CC(F)F)n1 ZINC001077188486 677790649 /nfs/dbraw/zinc/79/06/49/677790649.db2.gz HMWIJGDHOPLKQB-NXEZZACHSA-N 1 1 304.297 -1.085 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@H]3O)nn2c1 ZINC001077200306 677791284 /nfs/dbraw/zinc/79/12/84/677791284.db2.gz JDEAKLASWFRWKK-HBNTYKKESA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@H]3O)nn2c1 ZINC001077200306 677791287 /nfs/dbraw/zinc/79/12/87/677791287.db2.gz JDEAKLASWFRWKK-HBNTYKKESA-N 1 1 320.353 -1.412 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001077209458 677791857 /nfs/dbraw/zinc/79/18/57/677791857.db2.gz IYYXEAWRVFZGMZ-GHMZBOCLSA-N 1 1 310.354 -1.192 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237631 677792112 /nfs/dbraw/zinc/79/21/12/677792112.db2.gz NQFGXZVGGNQVQZ-HZSPNIEDSA-N 1 1 322.413 -1.039 20 0 DAADMO Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077228934 677792339 /nfs/dbraw/zinc/79/23/39/677792339.db2.gz GTLQBVHHFVOFJS-YNEHKIRRSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@@H](CCNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)C(N)=O ZINC001077222971 677792352 /nfs/dbraw/zinc/79/23/52/677792352.db2.gz LGYFSVIRUOIAGA-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220747 677792468 /nfs/dbraw/zinc/79/24/68/677792468.db2.gz SHIUBTLEQVTLAO-DDHJBXDOSA-N 1 1 314.386 -2.387 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220747 677792471 /nfs/dbraw/zinc/79/24/71/677792471.db2.gz SHIUBTLEQVTLAO-DDHJBXDOSA-N 1 1 314.386 -2.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001077230115 677792534 /nfs/dbraw/zinc/79/25/34/677792534.db2.gz GFEWEOCWJFHJEQ-ZYHUDNBSSA-N 1 1 310.354 -1.429 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569885 677792817 /nfs/dbraw/zinc/79/28/17/677792817.db2.gz SXZUTJJUBWIUPJ-UMNHJUIQSA-N 1 1 310.354 -1.431 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1=O ZINC001077254239 677792905 /nfs/dbraw/zinc/79/29/05/677792905.db2.gz RNRZODKKINCYAL-VXGBXAGGSA-N 1 1 314.386 -2.696 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077236333 677792937 /nfs/dbraw/zinc/79/29/37/677792937.db2.gz IMJXHAFCOZDVCQ-MGPQQGTHSA-N 1 1 322.413 -1.076 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077254186 677793115 /nfs/dbraw/zinc/79/31/15/677793115.db2.gz OWGXVOZZJRCWEJ-ZIAGYGMSSA-N 1 1 324.425 -1.112 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077236331 677793201 /nfs/dbraw/zinc/79/32/01/677793201.db2.gz IMJXHAFCOZDVCQ-HZSPNIEDSA-N 1 1 322.413 -1.076 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001077236115 677793324 /nfs/dbraw/zinc/79/33/24/677793324.db2.gz DXZYHBDRGUEBFU-HZSPNIEDSA-N 1 1 322.413 -1.039 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264252 677794383 /nfs/dbraw/zinc/79/43/83/677794383.db2.gz LTZIRWZZGSNYEF-VXGBXAGGSA-N 1 1 309.370 -1.291 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077265406 677795298 /nfs/dbraw/zinc/79/52/98/677795298.db2.gz QWHIRFUZSGLGAU-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001077266641 677795364 /nfs/dbraw/zinc/79/53/64/677795364.db2.gz BHRHHUAWIPUJDH-AVPPRXQKSA-N 1 1 321.337 -1.181 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297150 677797272 /nfs/dbraw/zinc/79/72/72/677797272.db2.gz VTMQGABDHZVSEC-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(=O)Nc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cs1 ZINC001077291387 677797549 /nfs/dbraw/zinc/79/75/49/677797549.db2.gz CYFMAZGACHPKAZ-PSASIEDQSA-N 1 1 314.367 -1.131 20 0 DAADMO CC(=O)Nc1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cs1 ZINC001077291387 677797551 /nfs/dbraw/zinc/79/75/51/677797551.db2.gz CYFMAZGACHPKAZ-PSASIEDQSA-N 1 1 314.367 -1.131 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC001077303138 677798886 /nfs/dbraw/zinc/79/88/86/677798886.db2.gz PZBACDQDFWNDAG-GHMZBOCLSA-N 1 1 306.322 -1.657 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC001077303138 677798890 /nfs/dbraw/zinc/79/88/90/677798890.db2.gz PZBACDQDFWNDAG-GHMZBOCLSA-N 1 1 306.322 -1.657 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321751 677799223 /nfs/dbraw/zinc/79/92/23/677799223.db2.gz MAKSGXGCAMKPSP-GHMZBOCLSA-N 1 1 310.354 -1.234 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077314890 677799248 /nfs/dbraw/zinc/79/92/48/677799248.db2.gz CJAFHOHRVSCUMS-ZYHUDNBSSA-N 1 1 310.354 -1.455 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077314890 677799251 /nfs/dbraw/zinc/79/92/51/677799251.db2.gz CJAFHOHRVSCUMS-ZYHUDNBSSA-N 1 1 310.354 -1.455 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083571705 677799428 /nfs/dbraw/zinc/79/94/28/677799428.db2.gz IMJXHAFCOZDVCQ-RDBSUJKOSA-N 1 1 322.413 -1.076 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001083571969 677799612 /nfs/dbraw/zinc/79/96/12/677799612.db2.gz VINTXUKDAFFJKG-BDAKNGLRSA-N 1 1 312.326 -1.739 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001083571969 677799613 /nfs/dbraw/zinc/79/96/13/677799613.db2.gz VINTXUKDAFFJKG-BDAKNGLRSA-N 1 1 312.326 -1.739 20 0 DAADMO CN1C(=O)Cc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cc21 ZINC001077317317 677799729 /nfs/dbraw/zinc/79/97/29/677799729.db2.gz LPHUARWJBSOJDW-TZMCWYRMSA-N 1 1 319.361 -1.027 20 0 DAADMO CN1C(=O)Cc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cc21 ZINC001077317317 677799731 /nfs/dbraw/zinc/79/97/31/677799731.db2.gz LPHUARWJBSOJDW-TZMCWYRMSA-N 1 1 319.361 -1.027 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077318804 677799743 /nfs/dbraw/zinc/79/97/43/677799743.db2.gz OIMYYOBZYYBDRU-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077318804 677799745 /nfs/dbraw/zinc/79/97/45/677799745.db2.gz OIMYYOBZYYBDRU-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)n1 ZINC001077361980 677801766 /nfs/dbraw/zinc/80/17/66/677801766.db2.gz CAYMITMLUOBOFR-RAIGVLPGSA-N 1 1 312.370 -1.315 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC001077378500 677802016 /nfs/dbraw/zinc/80/20/16/677802016.db2.gz UTVLCRYZRRDZBX-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001077388284 677802464 /nfs/dbraw/zinc/80/24/64/677802464.db2.gz VZHAYUNOGPGVJI-YUSALJHKSA-N 1 1 305.338 -1.115 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@H]1O ZINC001077394922 677803071 /nfs/dbraw/zinc/80/30/71/677803071.db2.gz KPEXHCUCXVRDFC-VXGBXAGGSA-N 1 1 319.369 -1.020 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001077393768 677803091 /nfs/dbraw/zinc/80/30/91/677803091.db2.gz KXBYAVBZVGAJKU-VXGBXAGGSA-N 1 1 319.427 -1.018 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001077395088 677803106 /nfs/dbraw/zinc/80/31/06/677803106.db2.gz SIULDZYUVNVHPP-VXGBXAGGSA-N 1 1 309.370 -1.559 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001077395066 677803157 /nfs/dbraw/zinc/80/31/57/677803157.db2.gz RLSIFDAAACYKED-GHMZBOCLSA-N 1 1 320.357 -1.923 20 0 DAADMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC001077394499 677803201 /nfs/dbraw/zinc/80/32/01/677803201.db2.gz RNBNSINJHKMYRD-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001077394760 677803250 /nfs/dbraw/zinc/80/32/50/677803250.db2.gz BWDYWPKNUXBESI-JHJVBQTASA-N 1 1 321.381 -1.369 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)cc1=O ZINC001077390352 677803653 /nfs/dbraw/zinc/80/36/53/677803653.db2.gz PDZVDLNOMQVXOL-ZYHUDNBSSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001077390352 677803656 /nfs/dbraw/zinc/80/36/56/677803656.db2.gz PDZVDLNOMQVXOL-ZYHUDNBSSA-N 1 1 311.338 -1.459 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001077395158 677803738 /nfs/dbraw/zinc/80/37/38/677803738.db2.gz WTUYEFHAOBCZHR-GHMZBOCLSA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077395116 677803779 /nfs/dbraw/zinc/80/37/79/677803779.db2.gz UOSDLOBWWMVVHA-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)cc1=O ZINC001077390284 677803841 /nfs/dbraw/zinc/80/38/41/677803841.db2.gz LGSHGYCRLFZKMK-FXPVBKGRSA-N 1 1 312.322 -1.196 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cc1=O ZINC001077390284 677803844 /nfs/dbraw/zinc/80/38/44/677803844.db2.gz LGSHGYCRLFZKMK-FXPVBKGRSA-N 1 1 312.322 -1.196 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001077407464 677803860 /nfs/dbraw/zinc/80/38/60/677803860.db2.gz WSRJEVJNDAFPIL-GGZOMVNGSA-N 1 1 320.353 -1.481 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077409761 677803939 /nfs/dbraw/zinc/80/39/39/677803939.db2.gz JMARTHQSNPKTAW-VXGBXAGGSA-N 1 1 305.338 -1.415 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2nncn2CC1 ZINC001077412071 677804002 /nfs/dbraw/zinc/80/40/02/677804002.db2.gz JHJLORKLENWXSC-YNEHKIRRSA-N 1 1 323.397 -1.226 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 ZINC001077422465 677804385 /nfs/dbraw/zinc/80/43/85/677804385.db2.gz YYNGLMNYMUYUID-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCn2cncc2C1 ZINC001083580122 677804392 /nfs/dbraw/zinc/80/43/92/677804392.db2.gz RDZMIGQESDHFBH-BNOWGMLFSA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(N[C@@H]1CN(CCO)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418287 677804512 /nfs/dbraw/zinc/80/45/12/677804512.db2.gz MFIXXKVQAPVAJF-YGFYLSKRSA-N 1 1 311.382 -1.997 20 0 DAADMO O=C(N[C@@H]1CN(CCF)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418126 677804581 /nfs/dbraw/zinc/80/45/81/677804581.db2.gz JPZBAGVGOAJUFQ-UNOFRPGUSA-N 1 1 313.373 -1.020 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418692 677804667 /nfs/dbraw/zinc/80/46/67/677804667.db2.gz WPVFFNVXKUCHDP-BRRYPZQOSA-N 1 1 324.381 -2.504 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](O)C1 ZINC001083577530 677804854 /nfs/dbraw/zinc/80/48/54/677804854.db2.gz YKQFWIQWZFNRIX-BIMULSAOSA-N 1 1 307.350 -1.059 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)CC1=O ZINC001083583204 677805243 /nfs/dbraw/zinc/80/52/43/677805243.db2.gz XAUZTNKERCAIDW-KGLIPLIRSA-N 1 1 324.425 -1.278 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 ZINC001083581958 677805298 /nfs/dbraw/zinc/80/52/98/677805298.db2.gz QWZDLYTZDVKHLZ-YPMHNXCESA-N 1 1 312.370 -1.012 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2COC)[C@@H](O)C1 ZINC001083581958 677805299 /nfs/dbraw/zinc/80/52/99/677805299.db2.gz QWZDLYTZDVKHLZ-YPMHNXCESA-N 1 1 312.370 -1.012 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582729 677805337 /nfs/dbraw/zinc/80/53/37/677805337.db2.gz CQVYCKYIOIZALI-UTUOFQBUSA-N 1 1 314.386 -2.698 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001083581342 677805565 /nfs/dbraw/zinc/80/55/65/677805565.db2.gz SKWCHKUBBJSZDO-BBBLOLIVSA-N 1 1 311.342 -2.300 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582728 677805651 /nfs/dbraw/zinc/80/56/51/677805651.db2.gz CQVYCKYIOIZALI-TUAOUCFPSA-N 1 1 314.386 -2.698 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585794 677806077 /nfs/dbraw/zinc/80/60/77/677806077.db2.gz NWTYGGHOHOWATF-AXFHLTTASA-N 1 1 313.358 -2.222 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@@H](O)C1 ZINC001083587062 677806218 /nfs/dbraw/zinc/80/62/18/677806218.db2.gz BHRHHUAWIPUJDH-XROYCOCOSA-N 1 1 321.337 -1.181 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 ZINC001083590659 677806840 /nfs/dbraw/zinc/80/68/40/677806840.db2.gz PTFVIIDGCPGYEU-BIMULSAOSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 ZINC001083590659 677806841 /nfs/dbraw/zinc/80/68/41/677806841.db2.gz PTFVIIDGCPGYEU-BIMULSAOSA-N 1 1 312.370 -1.108 20 0 DAADMO NC(=O)C1(O)CN(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905979349 677807475 /nfs/dbraw/zinc/80/74/75/677807475.db2.gz VLWFZIVIOCQUFO-CQSZACIVSA-N 1 1 305.378 -1.062 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000905909317 677807668 /nfs/dbraw/zinc/80/76/68/677807668.db2.gz MNLWGHLSONQEQJ-UHFFFAOYSA-N 1 1 312.414 -1.155 20 0 DAADMO COCC(=O)N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906237552 677808264 /nfs/dbraw/zinc/80/82/64/677808264.db2.gz ZFOPASQJPWNVAA-UHFFFAOYSA-N 1 1 312.414 -1.203 20 0 DAADMO Cn1ncnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038135009 677808419 /nfs/dbraw/zinc/80/84/19/677808419.db2.gz HHFXGQGBYNCRGQ-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038135009 677808423 /nfs/dbraw/zinc/80/84/23/677808423.db2.gz HHFXGQGBYNCRGQ-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906081834 677808658 /nfs/dbraw/zinc/80/86/58/677808658.db2.gz HLSGAXJCGOSXPE-UHFFFAOYSA-N 1 1 306.432 -1.465 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC001083604278 677809996 /nfs/dbraw/zinc/80/99/96/677809996.db2.gz OPINLLORBCHAOZ-NEPJUHHUSA-N 1 1 320.349 -1.267 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 ZINC001083602489 677810119 /nfs/dbraw/zinc/81/01/19/677810119.db2.gz YMNWTLKBURTHOU-FOGDFJRCSA-N 1 1 305.338 -1.115 20 0 DAADMO CC(=O)Nc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cs1 ZINC001083599108 677810411 /nfs/dbraw/zinc/81/04/11/677810411.db2.gz CYFMAZGACHPKAZ-SCZZXKLOSA-N 1 1 314.367 -1.131 20 0 DAADMO CC(=O)Nc1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cs1 ZINC001083599108 677810412 /nfs/dbraw/zinc/81/04/12/677810412.db2.gz CYFMAZGACHPKAZ-SCZZXKLOSA-N 1 1 314.367 -1.131 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083607676 677810775 /nfs/dbraw/zinc/81/07/75/677810775.db2.gz KKCMVWBFMGELJA-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083607676 677810776 /nfs/dbraw/zinc/81/07/76/677810776.db2.gz KKCMVWBFMGELJA-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083612910 677811811 /nfs/dbraw/zinc/81/18/11/677811811.db2.gz RSLDCGCHGSKYBR-ZJUUUORDSA-N 1 1 314.317 -1.530 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083612652 677811914 /nfs/dbraw/zinc/81/19/14/677811914.db2.gz FXHZESOBAUZPJQ-AEJSXWLSSA-N 1 1 312.326 -2.509 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083613023 677812013 /nfs/dbraw/zinc/81/20/13/677812013.db2.gz YFNVFRHPQBHVGL-MNOVXSKESA-N 1 1 308.338 -1.480 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001083622665 677812687 /nfs/dbraw/zinc/81/26/87/677812687.db2.gz XOJOZFJUIYVZKO-NEPJUHHUSA-N 1 1 310.354 -1.316 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077432969 677813115 /nfs/dbraw/zinc/81/31/15/677813115.db2.gz GKZHFSAYMITXGL-QJPTWQEYSA-N 1 1 309.370 -1.697 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H](O)C1 ZINC001083629623 677813153 /nfs/dbraw/zinc/81/31/53/677813153.db2.gz CZJCXWSMUGMDDJ-ZJUUUORDSA-N 1 1 306.326 -1.226 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC001083631616 677813232 /nfs/dbraw/zinc/81/32/32/677813232.db2.gz CBAOOUKVRYLSET-NEPJUHHUSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(Cn2ccnn2)o1 ZINC001077431628 677813243 /nfs/dbraw/zinc/81/32/43/677813243.db2.gz NRJMLYNOWOEVJS-VXGBXAGGSA-N 1 1 321.337 -1.313 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(Cn2ccnn2)o1 ZINC001077431628 677813248 /nfs/dbraw/zinc/81/32/48/677813248.db2.gz NRJMLYNOWOEVJS-VXGBXAGGSA-N 1 1 321.337 -1.313 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 ZINC001083631043 677813382 /nfs/dbraw/zinc/81/33/82/677813382.db2.gz APMOTTDMCDUBMF-WCQGTBRESA-N 1 1 310.354 -1.179 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CNC(=O)C1 ZINC001077435547 677814314 /nfs/dbraw/zinc/81/43/14/677814314.db2.gz QYMFVAZXBCSUMJ-JTNHKYCSSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CNC(=O)C1 ZINC001077435547 677814317 /nfs/dbraw/zinc/81/43/17/677814317.db2.gz QYMFVAZXBCSUMJ-JTNHKYCSSA-N 1 1 322.369 -2.034 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)cc1=O ZINC001083642979 677815553 /nfs/dbraw/zinc/81/55/53/677815553.db2.gz LGSHGYCRLFZKMK-NGZCFLSTSA-N 1 1 312.322 -1.196 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cc1=O ZINC001083642979 677815555 /nfs/dbraw/zinc/81/55/55/677815555.db2.gz LGSHGYCRLFZKMK-NGZCFLSTSA-N 1 1 312.322 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001083645572 677815928 /nfs/dbraw/zinc/81/59/28/677815928.db2.gz HREAVTWBHYWIKV-NEPJUHHUSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001083645782 677816134 /nfs/dbraw/zinc/81/61/34/677816134.db2.gz SXXOEGYACLZOOE-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083645598 677816179 /nfs/dbraw/zinc/81/61/79/677816179.db2.gz ISCRCKUBLHYHGI-OLZOCXBDSA-N 1 1 321.381 -1.369 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1)OC ZINC001083653400 677817581 /nfs/dbraw/zinc/81/75/81/677817581.db2.gz KKXKKEYFFNBGQJ-LOWVWBTDSA-N 1 1 324.381 -1.020 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654607 677817711 /nfs/dbraw/zinc/81/77/11/677817711.db2.gz WPVFFNVXKUCHDP-DVOPFRQNSA-N 1 1 324.381 -2.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001083663441 677819392 /nfs/dbraw/zinc/81/93/92/677819392.db2.gz RRHTWJMTJXEIAH-PDWCTOEPSA-N 1 1 314.382 -1.418 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001077442248 677819426 /nfs/dbraw/zinc/81/94/26/677819426.db2.gz ZYGREKJUFVBDIX-VXGBXAGGSA-N 1 1 303.326 -1.148 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCC12OCCO2 ZINC000913181681 677822492 /nfs/dbraw/zinc/82/24/92/677822492.db2.gz OSTRYBYGAYYIEG-WCQYABFASA-N 1 1 300.355 -1.003 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913552674 677825668 /nfs/dbraw/zinc/82/56/68/677825668.db2.gz UBEMMTPNGTXDQH-SECBINFHSA-N 1 1 300.388 -1.173 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913552674 677825671 /nfs/dbraw/zinc/82/56/71/677825671.db2.gz UBEMMTPNGTXDQH-SECBINFHSA-N 1 1 300.388 -1.173 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270973 677827010 /nfs/dbraw/zinc/82/70/10/677827010.db2.gz DPCHPKQOQNIUON-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270973 677827013 /nfs/dbraw/zinc/82/70/13/677827013.db2.gz DPCHPKQOQNIUON-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)N(C(C)=O)C1 ZINC001077456008 677829539 /nfs/dbraw/zinc/82/95/39/677829539.db2.gz RMBXMIVWBZXUGE-UMSGYPCISA-N 1 1 315.370 -2.224 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)N(C(C)=O)C1 ZINC001077456008 677829541 /nfs/dbraw/zinc/82/95/41/677829541.db2.gz RMBXMIVWBZXUGE-UMSGYPCISA-N 1 1 315.370 -2.224 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001077457536 677830099 /nfs/dbraw/zinc/83/00/99/677830099.db2.gz TVEDQGCSPCMUOJ-YUSALJHKSA-N 1 1 310.354 -1.319 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001077457536 677830103 /nfs/dbraw/zinc/83/01/03/677830103.db2.gz TVEDQGCSPCMUOJ-YUSALJHKSA-N 1 1 310.354 -1.319 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC001077487913 677831800 /nfs/dbraw/zinc/83/18/00/677831800.db2.gz RLFFFXUUWIXMQM-GHMZBOCLSA-N 1 1 310.354 -1.836 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001046000239 677831873 /nfs/dbraw/zinc/83/18/73/677831873.db2.gz NZCMQRNVGQYYES-QWHCGFSZSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001046000239 677831874 /nfs/dbraw/zinc/83/18/74/677831874.db2.gz NZCMQRNVGQYYES-QWHCGFSZSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008223 677831894 /nfs/dbraw/zinc/83/18/94/677831894.db2.gz PBVRFEOBUFMEGJ-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008223 677831896 /nfs/dbraw/zinc/83/18/96/677831896.db2.gz PBVRFEOBUFMEGJ-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c1C ZINC001077491298 677832192 /nfs/dbraw/zinc/83/21/92/677832192.db2.gz UVDASVNMPWBZJH-AVPPRXQKSA-N 1 1 310.354 -1.045 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001077492391 677832235 /nfs/dbraw/zinc/83/22/35/677832235.db2.gz HFTQGQCSGCWMDS-MVWJERBFSA-N 1 1 305.338 -1.115 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c1C ZINC001077491299 677832262 /nfs/dbraw/zinc/83/22/62/677832262.db2.gz UVDASVNMPWBZJH-WHGOUJPWSA-N 1 1 310.354 -1.045 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077496200 677832607 /nfs/dbraw/zinc/83/26/07/677832607.db2.gz LJJCXDOPBABELW-GHMZBOCLSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077496200 677832609 /nfs/dbraw/zinc/83/26/09/677832609.db2.gz LJJCXDOPBABELW-GHMZBOCLSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077495243 677832788 /nfs/dbraw/zinc/83/27/88/677832788.db2.gz YSNQSAZKOFADSR-VXGBXAGGSA-N 1 1 319.369 -1.136 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077495243 677832789 /nfs/dbraw/zinc/83/27/89/677832789.db2.gz YSNQSAZKOFADSR-VXGBXAGGSA-N 1 1 319.369 -1.136 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501558 677833250 /nfs/dbraw/zinc/83/32/50/677833250.db2.gz BPLRZFJSAKUGOM-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501719 677833536 /nfs/dbraw/zinc/83/35/36/677833536.db2.gz KRLPHKQKTVMEPO-FBIMIBRVSA-N 1 1 306.326 -1.720 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001077507925 677833752 /nfs/dbraw/zinc/83/37/52/677833752.db2.gz DCALNLVQQWHTHC-ZIAGYGMSSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507968 677833877 /nfs/dbraw/zinc/83/38/77/677833877.db2.gz FTQMKLUGCWBSIV-HBNTYKKESA-N 1 1 300.359 -3.040 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508342 677834569 /nfs/dbraw/zinc/83/45/69/677834569.db2.gz WQNXBIARHJETFQ-IJLUTSLNSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508342 677834573 /nfs/dbraw/zinc/83/45/73/677834573.db2.gz WQNXBIARHJETFQ-IJLUTSLNSA-N 1 1 316.377 -1.672 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)c[nH]c1=O ZINC001077511679 677835097 /nfs/dbraw/zinc/83/50/97/677835097.db2.gz YOKTUGOQJWLJBH-ZYHUDNBSSA-N 1 1 320.353 -1.203 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)nn1-c1nc[nH]n1 ZINC001083685731 677835209 /nfs/dbraw/zinc/83/52/09/677835209.db2.gz JCONJAHPUDGTLG-BDAKNGLRSA-N 1 1 322.329 -2.539 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn1-c1nc[nH]n1 ZINC001083685731 677835212 /nfs/dbraw/zinc/83/52/12/677835212.db2.gz JCONJAHPUDGTLG-BDAKNGLRSA-N 1 1 322.329 -2.539 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512750 677835429 /nfs/dbraw/zinc/83/54/29/677835429.db2.gz NNGKZDXXVGABAE-IJLUTSLNSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512750 677835432 /nfs/dbraw/zinc/83/54/32/677835432.db2.gz NNGKZDXXVGABAE-IJLUTSLNSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512508 677835679 /nfs/dbraw/zinc/83/56/79/677835679.db2.gz GUEVYXWASWARKT-JHJVBQTASA-N 1 1 311.382 -1.147 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077513090 677835799 /nfs/dbraw/zinc/83/57/99/677835799.db2.gz YISBJQMZKSRNCK-JHJVBQTASA-N 1 1 321.381 -1.740 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cn1 ZINC001077512944 677835817 /nfs/dbraw/zinc/83/58/17/677835817.db2.gz UEMVWQQNLGWXGF-JHJVBQTASA-N 1 1 321.381 -1.740 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1C ZINC001083689127 677836307 /nfs/dbraw/zinc/83/63/07/677836307.db2.gz CUUYQOXYRPKHND-NEPJUHHUSA-N 1 1 324.381 -1.446 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c1C ZINC001083689444 677836351 /nfs/dbraw/zinc/83/63/51/677836351.db2.gz UVDASVNMPWBZJH-ONOSFVFSSA-N 1 1 310.354 -1.045 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083686987 677836424 /nfs/dbraw/zinc/83/64/24/677836424.db2.gz VQUORLRQCAMQHL-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083686987 677836426 /nfs/dbraw/zinc/83/64/26/677836426.db2.gz VQUORLRQCAMQHL-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1C ZINC001083689217 677836615 /nfs/dbraw/zinc/83/66/15/677836615.db2.gz ITHWERMHCHNNAN-MNOVXSKESA-N 1 1 310.354 -1.044 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CCC1 ZINC001077516122 677837190 /nfs/dbraw/zinc/83/71/90/677837190.db2.gz ADEMGYDQLBUFHT-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CCC1 ZINC001077516122 677837194 /nfs/dbraw/zinc/83/71/94/677837194.db2.gz ADEMGYDQLBUFHT-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083697810 677838509 /nfs/dbraw/zinc/83/85/09/677838509.db2.gz NDRNHGTXQLHBHR-XQQFMLRXSA-N 1 1 321.381 -1.474 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083697810 677838510 /nfs/dbraw/zinc/83/85/10/677838510.db2.gz NDRNHGTXQLHBHR-XQQFMLRXSA-N 1 1 321.381 -1.474 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698818 677838872 /nfs/dbraw/zinc/83/88/72/677838872.db2.gz YISBJQMZKSRNCK-UPJWGTAASA-N 1 1 321.381 -1.740 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)[C@@H](O)C2)cn1 ZINC001083698727 677839012 /nfs/dbraw/zinc/83/90/12/677839012.db2.gz UEMVWQQNLGWXGF-UPJWGTAASA-N 1 1 321.381 -1.740 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083699589 677839249 /nfs/dbraw/zinc/83/92/49/677839249.db2.gz FHQVCBMIZVYDGO-UMNHJUIQSA-N 1 1 310.354 -1.063 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083704806 677840362 /nfs/dbraw/zinc/84/03/62/677840362.db2.gz GPJSUDSICLLGRH-MMWGEVLESA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083704806 677840364 /nfs/dbraw/zinc/84/03/64/677840364.db2.gz GPJSUDSICLLGRH-MMWGEVLESA-N 1 1 310.354 -1.645 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083706216 677841639 /nfs/dbraw/zinc/84/16/39/677841639.db2.gz QNROQJWRGQIHSL-TUAOUCFPSA-N 1 1 324.385 -1.198 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083708272 677842174 /nfs/dbraw/zinc/84/21/74/677842174.db2.gz RTWIWDLNHSVTFK-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083708272 677842177 /nfs/dbraw/zinc/84/21/77/677842177.db2.gz RTWIWDLNHSVTFK-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083708892 677842215 /nfs/dbraw/zinc/84/22/15/677842215.db2.gz PGDVGXQEEDJBAF-BJJPWKGXSA-N 1 1 306.366 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083708892 677842219 /nfs/dbraw/zinc/84/22/19/677842219.db2.gz PGDVGXQEEDJBAF-BJJPWKGXSA-N 1 1 306.366 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709051 677842905 /nfs/dbraw/zinc/84/29/05/677842905.db2.gz XBEDHOSLGWZHRS-JYKNGBAOSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709051 677842907 /nfs/dbraw/zinc/84/29/07/677842907.db2.gz XBEDHOSLGWZHRS-JYKNGBAOSA-N 1 1 323.393 -1.338 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040747728 677843269 /nfs/dbraw/zinc/84/32/69/677843269.db2.gz UZUMXVRITSEFSE-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)n1 ZINC001077525345 677843398 /nfs/dbraw/zinc/84/33/98/677843398.db2.gz QZTYLCRWGQGCMC-GMTAPVOTSA-N 1 1 310.358 -1.446 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077525116 677843426 /nfs/dbraw/zinc/84/34/26/677843426.db2.gz GPJSUDSICLLGRH-UKKRHICBSA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077525116 677843429 /nfs/dbraw/zinc/84/34/29/677843429.db2.gz GPJSUDSICLLGRH-UKKRHICBSA-N 1 1 310.354 -1.645 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001077525063 677843438 /nfs/dbraw/zinc/84/34/38/677843438.db2.gz CUEZGWXKKXVNJR-GHMZBOCLSA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001077525063 677843440 /nfs/dbraw/zinc/84/34/40/677843440.db2.gz CUEZGWXKKXVNJR-GHMZBOCLSA-N 1 1 320.357 -2.039 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1=O ZINC001083711290 677844452 /nfs/dbraw/zinc/84/44/52/677844452.db2.gz CILBYHXZOVJTOA-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1=O ZINC001083711290 677844456 /nfs/dbraw/zinc/84/44/56/677844456.db2.gz CILBYHXZOVJTOA-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1)C1CCC1 ZINC001077526700 677844471 /nfs/dbraw/zinc/84/44/71/677844471.db2.gz WFLKEAMVWYHUAQ-UTUOFQBUSA-N 1 1 324.385 -1.200 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040753807 677846380 /nfs/dbraw/zinc/84/63/80/677846380.db2.gz VKALPTVVORCSJV-CYBMUJFWSA-N 1 1 300.359 -2.109 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@]1(F)CCOC1 ZINC001083725505 677849232 /nfs/dbraw/zinc/84/92/32/677849232.db2.gz GAWHDFQYJWUFNX-NTZNESFSSA-N 1 1 313.333 -1.432 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@]1(F)CCOC1 ZINC001083725505 677849236 /nfs/dbraw/zinc/84/92/36/677849236.db2.gz GAWHDFQYJWUFNX-NTZNESFSSA-N 1 1 313.333 -1.432 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1=O ZINC001077534800 677849308 /nfs/dbraw/zinc/84/93/08/677849308.db2.gz KQHWFCOIMUCAED-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1=O ZINC001077534800 677849310 /nfs/dbraw/zinc/84/93/10/677849310.db2.gz KQHWFCOIMUCAED-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001046676430 677849626 /nfs/dbraw/zinc/84/96/26/677849626.db2.gz FUWPUIIEILJRRG-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001046667202 677849933 /nfs/dbraw/zinc/84/99/33/677849933.db2.gz SQORULLEHIQKOK-AWEZNQCLSA-N 1 1 310.354 -1.730 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083730887 677850234 /nfs/dbraw/zinc/85/02/34/677850234.db2.gz WDMBDRHHMNPVBN-NDMJEZRESA-N 1 1 309.370 -1.926 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[C@@H](O)C1 ZINC001083730777 677850346 /nfs/dbraw/zinc/85/03/46/677850346.db2.gz QRRBWGNAWRCKJA-ONOSFVFSSA-N 1 1 321.337 -1.181 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)[C@@H](O)C1 ZINC001083730420 677850630 /nfs/dbraw/zinc/85/06/30/677850630.db2.gz ZCUINPNKHUXSMN-SUHUHFCYSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)CC2 ZINC001083731585 677850683 /nfs/dbraw/zinc/85/06/83/677850683.db2.gz FSCMALIUWBTMNS-RTXFEEFZSA-N 1 1 321.381 -1.599 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCCc2nn[nH]c21 ZINC001083734477 677850956 /nfs/dbraw/zinc/85/09/56/677850956.db2.gz HIRGBYIQKNFJGF-WCQGTBRESA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001083734477 677850960 /nfs/dbraw/zinc/85/09/60/677850960.db2.gz HIRGBYIQKNFJGF-WCQGTBRESA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001083734477 677850963 /nfs/dbraw/zinc/85/09/63/677850963.db2.gz HIRGBYIQKNFJGF-WCQGTBRESA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740460 677852326 /nfs/dbraw/zinc/85/23/26/677852326.db2.gz DXRGUESYPMGIOL-TUAOUCFPSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083741168 677853135 /nfs/dbraw/zinc/85/31/35/677853135.db2.gz ZOVNYQYJAXWQSW-PRJMDXOYSA-N 1 1 310.276 -1.219 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083741168 677853138 /nfs/dbraw/zinc/85/31/38/677853138.db2.gz ZOVNYQYJAXWQSW-PRJMDXOYSA-N 1 1 310.276 -1.219 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741956 677853780 /nfs/dbraw/zinc/85/37/80/677853780.db2.gz YHRJHECZWRIEJG-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741956 677853783 /nfs/dbraw/zinc/85/37/83/677853783.db2.gz YHRJHECZWRIEJG-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083744283 677854262 /nfs/dbraw/zinc/85/42/62/677854262.db2.gz GRYAOHKKOYQKOB-OLZOCXBDSA-N 1 1 319.361 -1.189 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083744283 677854263 /nfs/dbraw/zinc/85/42/63/677854263.db2.gz GRYAOHKKOYQKOB-OLZOCXBDSA-N 1 1 319.361 -1.189 20 0 DAADMO COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083745142 677855191 /nfs/dbraw/zinc/85/51/91/677855191.db2.gz STYIWWKAJOETEM-OLZOCXBDSA-N 1 1 323.349 -1.279 20 0 DAADMO COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083745142 677855193 /nfs/dbraw/zinc/85/51/93/677855193.db2.gz STYIWWKAJOETEM-OLZOCXBDSA-N 1 1 323.349 -1.279 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083744708 677855200 /nfs/dbraw/zinc/85/52/00/677855200.db2.gz YZTGCNOLSZNKJQ-AEJSXWLSSA-N 1 1 314.342 -3.384 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001083744708 677855202 /nfs/dbraw/zinc/85/52/02/677855202.db2.gz YZTGCNOLSZNKJQ-AEJSXWLSSA-N 1 1 314.342 -3.384 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077564022 677858479 /nfs/dbraw/zinc/85/84/79/677858479.db2.gz XYDGXHGXHZSOHU-FRRDWIJNSA-N 1 1 313.398 -1.071 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001077567434 677859722 /nfs/dbraw/zinc/85/97/22/677859722.db2.gz GAWHDFQYJWUFNX-NQBHXWOUSA-N 1 1 313.333 -1.432 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001077567434 677859724 /nfs/dbraw/zinc/85/97/24/677859724.db2.gz GAWHDFQYJWUFNX-NQBHXWOUSA-N 1 1 313.333 -1.432 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040901445 677859886 /nfs/dbraw/zinc/85/98/86/677859886.db2.gz JPRIAIJEXXSZDZ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001047401516 677860314 /nfs/dbraw/zinc/86/03/14/677860314.db2.gz VBYJDOCSJYWYBM-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047415394 677860886 /nfs/dbraw/zinc/86/08/86/677860886.db2.gz VVMKYUMYWGIKFA-CYDGBPFRSA-N 1 1 302.371 -1.324 20 0 DAADMO CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047436439 677861086 /nfs/dbraw/zinc/86/10/86/677861086.db2.gz ZTHSJNUDTIDXLN-UBHSHLNASA-N 1 1 308.382 -1.059 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCNC1=O ZINC001083775193 677861639 /nfs/dbraw/zinc/86/16/39/677861639.db2.gz MQRFCJXZWXOPRW-UHIISALHSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCNC1=O ZINC001083775193 677861641 /nfs/dbraw/zinc/86/16/41/677861641.db2.gz MQRFCJXZWXOPRW-UHIISALHSA-N 1 1 322.369 -2.034 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)O1 ZINC001083776335 677861918 /nfs/dbraw/zinc/86/19/18/677861918.db2.gz PUYRREXXJCBKTM-VPOLOUISSA-N 1 1 301.343 -2.437 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)O1 ZINC001083775495 677862094 /nfs/dbraw/zinc/86/20/94/677862094.db2.gz XCGSNUSGBIYVJB-KXNHARMFSA-N 1 1 315.370 -2.224 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001083775495 677862098 /nfs/dbraw/zinc/86/20/98/677862098.db2.gz XCGSNUSGBIYVJB-KXNHARMFSA-N 1 1 315.370 -2.224 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001083778846 677862293 /nfs/dbraw/zinc/86/22/93/677862293.db2.gz ZQVHYQYZSJIQGK-BNOWGMLFSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001083778556 677862397 /nfs/dbraw/zinc/86/23/97/677862397.db2.gz QBALUPBAWFOOKB-TUAOUCFPSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077578665 677862433 /nfs/dbraw/zinc/86/24/33/677862433.db2.gz PKVGSKDTEQPUNS-FBIMIBRVSA-N 1 1 311.338 -1.537 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001077577613 677862504 /nfs/dbraw/zinc/86/25/04/677862504.db2.gz PCIUZHPJKBFGRA-JMJZKYOTSA-N 1 1 320.353 -1.481 20 0 DAADMO CC(=O)N1CC[C@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001040966085 677862571 /nfs/dbraw/zinc/86/25/71/677862571.db2.gz QSDVXWOFZCKFQR-HNNXBMFYSA-N 1 1 308.382 -1.111 20 0 DAADMO CC(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001040966085 677862575 /nfs/dbraw/zinc/86/25/75/677862575.db2.gz QSDVXWOFZCKFQR-HNNXBMFYSA-N 1 1 308.382 -1.111 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047490353 677862704 /nfs/dbraw/zinc/86/27/04/677862704.db2.gz RRONAZSUJJEVKV-DCAQKATOSA-N 1 1 310.358 -1.636 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001083778203 677862767 /nfs/dbraw/zinc/86/27/67/677862767.db2.gz FGDIRKWXVVYCDU-UPJWGTAASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083780787 677863222 /nfs/dbraw/zinc/86/32/22/677863222.db2.gz KJHSQLOLXDANOC-BNOWGMLFSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083780967 677863234 /nfs/dbraw/zinc/86/32/34/677863234.db2.gz QBPIWGCTLYFYEQ-XQQFMLRXSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)C1 ZINC001083780672 677863246 /nfs/dbraw/zinc/86/32/46/677863246.db2.gz GGLXFLPKEWRICH-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)C2 ZINC001083780733 677863396 /nfs/dbraw/zinc/86/33/96/677863396.db2.gz IHFPKNAOEXVHGQ-RTXFEEFZSA-N 1 1 321.381 -1.599 20 0 DAADMO Cc1nc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)cs1 ZINC001047510314 677863558 /nfs/dbraw/zinc/86/35/58/677863558.db2.gz LLWIHKNBXIBEGV-QWRGUYRKSA-N 1 1 312.395 -1.017 20 0 DAADMO Cc1nc(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)cs1 ZINC001047510314 677863561 /nfs/dbraw/zinc/86/35/61/677863561.db2.gz LLWIHKNBXIBEGV-QWRGUYRKSA-N 1 1 312.395 -1.017 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083781582 677863891 /nfs/dbraw/zinc/86/38/91/677863891.db2.gz NMGRYKYCFASFKR-MCIONIFRSA-N 1 1 322.413 -1.219 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083783337 677864845 /nfs/dbraw/zinc/86/48/45/677864845.db2.gz MBEBVEFKZYIXBQ-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077587437 677865966 /nfs/dbraw/zinc/86/59/66/677865966.db2.gz IFKWZOLXBZLRFX-RAIGVLPGSA-N 1 1 322.365 -1.029 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598913 677866348 /nfs/dbraw/zinc/86/63/48/677866348.db2.gz HZEFWJJLGXKWRD-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598913 677866349 /nfs/dbraw/zinc/86/63/49/677866349.db2.gz HZEFWJJLGXKWRD-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077598905 677866407 /nfs/dbraw/zinc/86/64/07/677866407.db2.gz HQXCTEVPERQJPM-IJLUTSLNSA-N 1 1 322.369 -2.195 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001077599050 677866904 /nfs/dbraw/zinc/86/69/04/677866904.db2.gz MCFJMEXAXMCDBP-IJLUTSLNSA-N 1 1 322.369 -2.195 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077598964 677867273 /nfs/dbraw/zinc/86/72/73/677867273.db2.gz JJWZSPJJBPVMLR-IVZWLZJFSA-N 1 1 318.324 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600539 677867869 /nfs/dbraw/zinc/86/78/69/677867869.db2.gz PIVSCWVMLFNPLZ-IVZWLZJFSA-N 1 1 309.330 -2.879 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600539 677867873 /nfs/dbraw/zinc/86/78/73/677867873.db2.gz PIVSCWVMLFNPLZ-IVZWLZJFSA-N 1 1 309.330 -2.879 20 0 DAADMO COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077604072 677868389 /nfs/dbraw/zinc/86/83/89/677868389.db2.gz YYJXWODLKAXOLD-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077604072 677868394 /nfs/dbraw/zinc/86/83/94/677868394.db2.gz YYJXWODLKAXOLD-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077605795 677868429 /nfs/dbraw/zinc/86/84/29/677868429.db2.gz GLGBHGXVAAVJRO-CHWSQXEVSA-N 1 1 323.349 -1.279 20 0 DAADMO COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077605795 677868432 /nfs/dbraw/zinc/86/84/32/677868432.db2.gz GLGBHGXVAAVJRO-CHWSQXEVSA-N 1 1 323.349 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)[nH]c1=O ZINC001077619346 677869469 /nfs/dbraw/zinc/86/94/69/677869469.db2.gz LAKGNAFFUBDPCJ-MWLCHTKSSA-N 1 1 321.341 -1.808 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)[nH]c1=O ZINC001077619346 677869471 /nfs/dbraw/zinc/86/94/71/677869471.db2.gz LAKGNAFFUBDPCJ-MWLCHTKSSA-N 1 1 321.341 -1.808 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001047653795 677869564 /nfs/dbraw/zinc/86/95/64/677869564.db2.gz MHXGOABUYUKLIL-RFGFWPKPSA-N 1 1 315.414 -1.409 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CCC(=O)N1 ZINC001077632871 677870614 /nfs/dbraw/zinc/87/06/14/677870614.db2.gz QFOAEXKMTMBMSP-JMSVASOKSA-N 1 1 321.381 -1.287 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CCC(=O)N1 ZINC001077632871 677870617 /nfs/dbraw/zinc/87/06/17/677870617.db2.gz QFOAEXKMTMBMSP-JMSVASOKSA-N 1 1 321.381 -1.287 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083784744 677870934 /nfs/dbraw/zinc/87/09/34/677870934.db2.gz MHTWSXRYTSIZJA-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO Cn1cnc2c1nccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077655453 677871450 /nfs/dbraw/zinc/87/14/50/677871450.db2.gz PTEDDJNHXTYVDR-GHMZBOCLSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077655453 677871453 /nfs/dbraw/zinc/87/14/53/677871453.db2.gz PTEDDJNHXTYVDR-GHMZBOCLSA-N 1 1 305.338 -1.265 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001077651031 677871459 /nfs/dbraw/zinc/87/14/59/677871459.db2.gz OJKWVZWAUAJNND-RKDXNWHRSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCNC1=O ZINC001077667042 677872018 /nfs/dbraw/zinc/87/20/18/677872018.db2.gz MQRFCJXZWXOPRW-JTNHKYCSSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCNC1=O ZINC001077667042 677872023 /nfs/dbraw/zinc/87/20/23/677872023.db2.gz MQRFCJXZWXOPRW-JTNHKYCSSA-N 1 1 322.369 -2.034 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)O1 ZINC001077668892 677872912 /nfs/dbraw/zinc/87/29/12/677872912.db2.gz YGCQLXKXNQMXNI-CHWFTXMASA-N 1 1 303.334 -1.460 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)C1 ZINC001077679259 677872939 /nfs/dbraw/zinc/87/29/39/677872939.db2.gz LSQLPXQNECOJBW-YNEHKIRRSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)C1 ZINC001077679697 677873024 /nfs/dbraw/zinc/87/30/24/677873024.db2.gz ZEOPISGVXDIOSI-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077676885 677873262 /nfs/dbraw/zinc/87/32/62/677873262.db2.gz OIIRUYISXPUASJ-JHJVBQTASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077677145 677873278 /nfs/dbraw/zinc/87/32/78/677873278.db2.gz ZQVHYQYZSJIQGK-IACUBPJLSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001077679320 677873293 /nfs/dbraw/zinc/87/32/93/677873293.db2.gz OJUGXLZDTYFKAH-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077682967 677873683 /nfs/dbraw/zinc/87/36/83/677873683.db2.gz SVRMXCRAXIRTHC-WRWGMCAJSA-N 1 1 324.381 -2.109 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077682967 677873686 /nfs/dbraw/zinc/87/36/86/677873686.db2.gz SVRMXCRAXIRTHC-WRWGMCAJSA-N 1 1 324.381 -2.109 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077687323 677874215 /nfs/dbraw/zinc/87/42/15/677874215.db2.gz KXFPWMMUDFVJCH-YVECIDJPSA-N 1 1 311.382 -1.304 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077695076 677874961 /nfs/dbraw/zinc/87/49/61/677874961.db2.gz WERDMGAUODGPKZ-FBIMIBRVSA-N 1 1 311.338 -1.049 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ncc1C(N)=O ZINC001077704097 677875861 /nfs/dbraw/zinc/87/58/61/677875861.db2.gz ASYACZQPMHPESA-CHWSQXEVSA-N 1 1 322.365 -1.354 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001077707710 677875901 /nfs/dbraw/zinc/87/59/01/677875901.db2.gz WSXSTWXOIKTCAN-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077707413 677875956 /nfs/dbraw/zinc/87/59/56/677875956.db2.gz GRSKRYCTLZRKHX-YUSALJHKSA-N 1 1 324.381 -1.493 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC001077729962 677877055 /nfs/dbraw/zinc/87/70/55/677877055.db2.gz JAQXNFBCZMNMCL-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC001077729962 677877058 /nfs/dbraw/zinc/87/70/58/677877058.db2.gz JAQXNFBCZMNMCL-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[C@@H]1CC12CC2 ZINC001077731218 677877532 /nfs/dbraw/zinc/87/75/32/677877532.db2.gz FYLXUBPPHIMDCL-HBNTYKKESA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[C@@H]1CC12CC2 ZINC001077731218 677877537 /nfs/dbraw/zinc/87/75/37/677877537.db2.gz FYLXUBPPHIMDCL-HBNTYKKESA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077737106 677878078 /nfs/dbraw/zinc/87/80/78/677878078.db2.gz ZEMRNFGPHIPHMN-DGCLKSJQSA-N 1 1 320.349 -1.105 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001077743780 677878173 /nfs/dbraw/zinc/87/81/73/677878173.db2.gz OCHLUFZSVKEDCV-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001077743780 677878175 /nfs/dbraw/zinc/87/81/75/677878175.db2.gz OCHLUFZSVKEDCV-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077754686 677878576 /nfs/dbraw/zinc/87/85/76/677878576.db2.gz NXIPSGPJPVQRTG-HBNTYKKESA-N 1 1 310.354 -1.454 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753637 677878699 /nfs/dbraw/zinc/87/86/99/677878699.db2.gz PSCMACOUXUXEEU-HBNTYKKESA-N 1 1 310.354 -1.288 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077743521 677878722 /nfs/dbraw/zinc/87/87/22/677878722.db2.gz AROHMNMPCQMOHH-VXGBXAGGSA-N 1 1 322.369 -1.861 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077743521 677878724 /nfs/dbraw/zinc/87/87/24/677878724.db2.gz AROHMNMPCQMOHH-VXGBXAGGSA-N 1 1 322.369 -1.861 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001077752037 677878883 /nfs/dbraw/zinc/87/88/83/677878883.db2.gz TXKMYGMPAJJXRE-HBNTYKKESA-N 1 1 311.386 -1.227 20 0 DAADMO CCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1=O ZINC001077756555 677878998 /nfs/dbraw/zinc/87/89/98/677878998.db2.gz CCYPSGAVIASREC-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077745456 677879019 /nfs/dbraw/zinc/87/90/19/677879019.db2.gz PZTXXSMXEPOGNF-VXGBXAGGSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077745456 677879024 /nfs/dbraw/zinc/87/90/24/677879024.db2.gz PZTXXSMXEPOGNF-VXGBXAGGSA-N 1 1 305.342 -1.595 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001077765228 677879292 /nfs/dbraw/zinc/87/92/92/677879292.db2.gz DIDHPAGLSWBIPZ-GHMZBOCLSA-N 1 1 310.354 -1.733 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765291 677879657 /nfs/dbraw/zinc/87/96/57/677879657.db2.gz HBKKQMJRAAUNBY-VXGBXAGGSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077805947 677881936 /nfs/dbraw/zinc/88/19/36/677881936.db2.gz UTLGXDSVLUUCGW-GHMZBOCLSA-N 1 1 312.374 -1.660 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040424064 677882027 /nfs/dbraw/zinc/88/20/27/677882027.db2.gz JIKJGYXODJTLKY-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1C(F)(F)F ZINC001077801544 677882112 /nfs/dbraw/zinc/88/21/12/677882112.db2.gz VURNNSFLXOAFLU-RNFRBKRXSA-N 1 1 323.275 -1.399 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C(F)(F)F ZINC001077801544 677882113 /nfs/dbraw/zinc/88/21/13/677882113.db2.gz VURNNSFLXOAFLU-RNFRBKRXSA-N 1 1 323.275 -1.399 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816878 677883671 /nfs/dbraw/zinc/88/36/71/677883671.db2.gz AKYYCPKJXVHPCX-VXGBXAGGSA-N 1 1 324.385 -1.252 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001083793084 677883757 /nfs/dbraw/zinc/88/37/57/677883757.db2.gz ANSLQVCITCNCCG-AXFHLTTASA-N 1 1 310.358 -2.221 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077816938 677883789 /nfs/dbraw/zinc/88/37/89/677883789.db2.gz DTFAWYJRKFNAPX-VXGBXAGGSA-N 1 1 324.385 -1.250 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)S1(=O)=O ZINC001077820949 677884763 /nfs/dbraw/zinc/88/47/63/677884763.db2.gz RLIXQPRZPSXMQB-IJLUTSLNSA-N 1 1 317.411 -1.408 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077821071 677884866 /nfs/dbraw/zinc/88/48/66/677884866.db2.gz XTJVTILJORPJAY-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077826838 677885378 /nfs/dbraw/zinc/88/53/78/677885378.db2.gz SXXRGAWRKMXYIC-JHJVBQTASA-N 1 1 321.381 -1.287 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077825151 677885429 /nfs/dbraw/zinc/88/54/29/677885429.db2.gz HFLLYSFOTFYLLQ-MGPQQGTHSA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833654 677887298 /nfs/dbraw/zinc/88/72/98/677887298.db2.gz UVHACGHMFIEYRD-HBNTYKKESA-N 1 1 315.345 -1.051 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833654 677887300 /nfs/dbraw/zinc/88/73/00/677887300.db2.gz UVHACGHMFIEYRD-HBNTYKKESA-N 1 1 315.345 -1.051 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999231847 677887898 /nfs/dbraw/zinc/88/78/98/677887898.db2.gz NKSCEPAACUVLCK-RTBKNWGFSA-N 1 1 322.373 -1.687 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)S1(=O)=O ZINC001032676949 677889121 /nfs/dbraw/zinc/88/91/21/677889121.db2.gz KEHHTYGTHINVDJ-SDDRHHMPSA-N 1 1 317.411 -1.312 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)S1(=O)=O ZINC001032676949 677889123 /nfs/dbraw/zinc/88/91/23/677889123.db2.gz KEHHTYGTHINVDJ-SDDRHHMPSA-N 1 1 317.411 -1.312 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999331382 677889515 /nfs/dbraw/zinc/88/95/15/677889515.db2.gz WJQWHKFTYVCWSZ-RFBVYIQQSA-N 1 1 307.358 -1.425 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999331376 677889603 /nfs/dbraw/zinc/88/96/03/677889603.db2.gz WJQWHKFTYVCWSZ-BOBPJJCASA-N 1 1 307.358 -1.425 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083794659 677890246 /nfs/dbraw/zinc/89/02/46/677890246.db2.gz GRSKRYCTLZRKHX-WCQGTBRESA-N 1 1 324.381 -1.493 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000999345470 677890435 /nfs/dbraw/zinc/89/04/35/677890435.db2.gz XUKYRCJOTOJPGO-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083794992 677890444 /nfs/dbraw/zinc/89/04/44/677890444.db2.gz ZQLWUZCQZCYYLJ-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083794992 677890450 /nfs/dbraw/zinc/89/04/50/677890450.db2.gz ZQLWUZCQZCYYLJ-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000999890941 677892467 /nfs/dbraw/zinc/89/24/67/677892467.db2.gz ORTBHYGVTCHNBU-QWRGUYRKSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000999891531 677892504 /nfs/dbraw/zinc/89/25/04/677892504.db2.gz MMYXJFYEKQARKD-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000999890761 677892534 /nfs/dbraw/zinc/89/25/34/677892534.db2.gz IUHAKUXSBGASTC-YGRLFVJLSA-N 1 1 322.409 -1.011 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077848802 677892929 /nfs/dbraw/zinc/89/29/29/677892929.db2.gz QLRAEBZFTPNCBH-RKDXNWHRSA-N 1 1 300.315 -2.918 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077848739 677892936 /nfs/dbraw/zinc/89/29/36/677892936.db2.gz NAKMMBOKCKIDGU-GHMZBOCLSA-N 1 1 310.354 -1.334 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999862074 677892947 /nfs/dbraw/zinc/89/29/47/677892947.db2.gz ZIRFHYJQRTUZDK-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCOCC1 ZINC001077844118 677892996 /nfs/dbraw/zinc/89/29/96/677892996.db2.gz WNXQYMCJKVIUKR-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000999861890 677893076 /nfs/dbraw/zinc/89/30/76/677893076.db2.gz BYAXLDNRWTXFMI-JTQLQIEISA-N 1 1 322.369 -1.348 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049365752 677893181 /nfs/dbraw/zinc/89/31/81/677893181.db2.gz FNBBFDATGWCNTR-UWVGGRQHSA-N 1 1 300.359 -2.156 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1nnc[nH]1 ZINC001077861403 677893374 /nfs/dbraw/zinc/89/33/74/677893374.db2.gz FVVNVZOZNQJAGM-GMTAPVOTSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ncn[nH]1 ZINC001077861403 677893377 /nfs/dbraw/zinc/89/33/77/677893377.db2.gz FVVNVZOZNQJAGM-GMTAPVOTSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1ncn[nH]1 ZINC001077861403 677893379 /nfs/dbraw/zinc/89/33/79/677893379.db2.gz FVVNVZOZNQJAGM-GMTAPVOTSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077861403 677893383 /nfs/dbraw/zinc/89/33/83/677893383.db2.gz FVVNVZOZNQJAGM-GMTAPVOTSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077861403 677893385 /nfs/dbraw/zinc/89/33/85/677893385.db2.gz FVVNVZOZNQJAGM-GMTAPVOTSA-N 1 1 322.369 -1.504 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000999861893 677893409 /nfs/dbraw/zinc/89/34/09/677893409.db2.gz BYAXLDNRWTXFMI-SNVBAGLBSA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867616 677893634 /nfs/dbraw/zinc/89/36/34/677893634.db2.gz WDMVVCMYQYWFQW-OPRDCNLKSA-N 1 1 306.326 -1.720 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867616 677893635 /nfs/dbraw/zinc/89/36/35/677893635.db2.gz WDMVVCMYQYWFQW-OPRDCNLKSA-N 1 1 306.326 -1.720 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853048 677893675 /nfs/dbraw/zinc/89/36/75/677893675.db2.gz HPPANNSGMRTCQW-HBNTYKKESA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cnon1 ZINC001077868887 677893845 /nfs/dbraw/zinc/89/38/45/677893845.db2.gz DWVJHZCOXBVJJE-YUSALJHKSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC001077881304 677894495 /nfs/dbraw/zinc/89/44/95/677894495.db2.gz PCDDWKFWEICQTP-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC001077881304 677894498 /nfs/dbraw/zinc/89/44/98/677894498.db2.gz PCDDWKFWEICQTP-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853717 677894672 /nfs/dbraw/zinc/89/46/72/677894672.db2.gz WQUXQIHJVXMIGE-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077853298 677894744 /nfs/dbraw/zinc/89/47/44/677894744.db2.gz VRJBTRBXPLUROT-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001077875804 677895112 /nfs/dbraw/zinc/89/51/12/677895112.db2.gz UKHMYFBJCXTZMU-YUSALJHKSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001077875804 677895114 /nfs/dbraw/zinc/89/51/14/677895114.db2.gz UKHMYFBJCXTZMU-YUSALJHKSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001077879735 677896576 /nfs/dbraw/zinc/89/65/76/677896576.db2.gz UDKMZVHCLWHLNB-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077897377 677897209 /nfs/dbraw/zinc/89/72/09/677897209.db2.gz WPQHQRIXDUHTKZ-GHMZBOCLSA-N 1 1 322.369 -1.861 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077897377 677897213 /nfs/dbraw/zinc/89/72/13/677897213.db2.gz WPQHQRIXDUHTKZ-GHMZBOCLSA-N 1 1 322.369 -1.861 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(=O)n1 ZINC001077904176 677897510 /nfs/dbraw/zinc/89/75/10/677897510.db2.gz NADWLXVAYYSGPB-JHJVBQTASA-N 1 1 324.381 -1.598 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001077954989 677900380 /nfs/dbraw/zinc/90/03/80/677900380.db2.gz PAASHKWWHOZBDN-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001077995661 677902868 /nfs/dbraw/zinc/90/28/68/677902868.db2.gz KZZKZHZLMZGLTC-NXEZZACHSA-N 1 1 307.310 -1.798 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001078000686 677902895 /nfs/dbraw/zinc/90/28/95/677902895.db2.gz LJJDXNIMBWXVAH-NXEZZACHSA-N 1 1 306.326 -1.398 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001077999238 677902909 /nfs/dbraw/zinc/90/29/09/677902909.db2.gz ARYHCUYXPZGVGC-GHMZBOCLSA-N 1 1 320.353 -1.007 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078005370 677903444 /nfs/dbraw/zinc/90/34/44/677903444.db2.gz BIXMAFKSHNCJCW-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001077995740 677903491 /nfs/dbraw/zinc/90/34/91/677903491.db2.gz PEURGBSFNWTIIV-FBIMIBRVSA-N 1 1 321.337 -1.409 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)n2n1 ZINC001077995623 677903595 /nfs/dbraw/zinc/90/35/95/677903595.db2.gz JCHRUUUSHIEXMJ-MWLCHTKSSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)n2n1 ZINC001077995623 677903597 /nfs/dbraw/zinc/90/35/97/677903597.db2.gz JCHRUUUSHIEXMJ-MWLCHTKSSA-N 1 1 306.326 -1.800 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001078007232 677903726 /nfs/dbraw/zinc/90/37/26/677903726.db2.gz MWCMIXQIAPPTKH-MGPQQGTHSA-N 1 1 322.413 -1.219 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005725 677903946 /nfs/dbraw/zinc/90/39/46/677903946.db2.gz HBFXJJKKRBTWLC-MRVWCRGKSA-N 1 1 324.425 -1.232 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006100 677904042 /nfs/dbraw/zinc/90/40/42/677904042.db2.gz SCZRJYSAXRBRKY-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005721 677904402 /nfs/dbraw/zinc/90/44/02/677904402.db2.gz HASDXHPDGLXOOH-YNEHKIRRSA-N 1 1 322.413 -1.182 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032782089 677905231 /nfs/dbraw/zinc/90/52/31/677905231.db2.gz UAWIUROZJXHVCU-QWRGUYRKSA-N 1 1 302.338 -1.056 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032782089 677905233 /nfs/dbraw/zinc/90/52/33/677905233.db2.gz UAWIUROZJXHVCU-QWRGUYRKSA-N 1 1 302.338 -1.056 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC001078021942 677905715 /nfs/dbraw/zinc/90/57/15/677905715.db2.gz OOYIWPTZZUGZNC-VXGBXAGGSA-N 1 1 308.338 -1.792 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001078021942 677905716 /nfs/dbraw/zinc/90/57/16/677905716.db2.gz OOYIWPTZZUGZNC-VXGBXAGGSA-N 1 1 308.338 -1.792 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001078020260 677905750 /nfs/dbraw/zinc/90/57/50/677905750.db2.gz HQPHAZSAIIEFEQ-YUSALJHKSA-N 1 1 309.370 -1.302 20 0 DAADMO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784916 677906214 /nfs/dbraw/zinc/90/62/14/677906214.db2.gz OYEPNIUDCFWLRU-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784915 677906352 /nfs/dbraw/zinc/90/63/52/677906352.db2.gz OYEPNIUDCFWLRU-IHRRRGAJSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034780 677906614 /nfs/dbraw/zinc/90/66/14/677906614.db2.gz XXUIKAPGGBJDOK-HBNTYKKESA-N 1 1 308.342 -2.282 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034780 677906617 /nfs/dbraw/zinc/90/66/17/677906617.db2.gz XXUIKAPGGBJDOK-HBNTYKKESA-N 1 1 308.342 -2.282 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001078092628 677909006 /nfs/dbraw/zinc/90/90/06/677909006.db2.gz SFVDKMVNWFVYJK-ONGXEEELSA-N 1 1 322.369 -1.116 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)n1 ZINC001078099051 677909555 /nfs/dbraw/zinc/90/95/55/677909555.db2.gz RNPQREGTKXZNOI-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)n1 ZINC001078099051 677909559 /nfs/dbraw/zinc/90/95/59/677909559.db2.gz RNPQREGTKXZNOI-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)n1 ZINC001078099149 677909570 /nfs/dbraw/zinc/90/95/70/677909570.db2.gz WMBFYDCNIFEHBS-ZWKOPEQDSA-N 1 1 322.365 -1.403 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078104723 677909829 /nfs/dbraw/zinc/90/98/29/677909829.db2.gz SJMGLIBQELFVJT-IJLUTSLNSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078104723 677909831 /nfs/dbraw/zinc/90/98/31/677909831.db2.gz SJMGLIBQELFVJT-IJLUTSLNSA-N 1 1 301.343 -2.613 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(=O)n1C ZINC001078100889 677909838 /nfs/dbraw/zinc/90/98/38/677909838.db2.gz SGZSFDGSXCNGTB-FBIMIBRVSA-N 1 1 313.358 -2.568 20 0 DAADMO NC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001078130140 677910681 /nfs/dbraw/zinc/91/06/81/677910681.db2.gz OOCDJSLKPMFAFK-VXGBXAGGSA-N 1 1 308.338 -1.056 20 0 DAADMO NC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001078130140 677910683 /nfs/dbraw/zinc/91/06/83/677910683.db2.gz OOCDJSLKPMFAFK-VXGBXAGGSA-N 1 1 308.338 -1.056 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001078119459 677911094 /nfs/dbraw/zinc/91/10/94/677911094.db2.gz QUJZLTIQOFBTPT-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001078118465 677911198 /nfs/dbraw/zinc/91/11/98/677911198.db2.gz UATIDANHDKERDM-WDEREUQCSA-N 1 1 324.385 -1.690 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nn21 ZINC001078120901 677912314 /nfs/dbraw/zinc/91/23/14/677912314.db2.gz GCLGLRPEYOQSGX-NXEZZACHSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nn21 ZINC001078120901 677912317 /nfs/dbraw/zinc/91/23/17/677912317.db2.gz GCLGLRPEYOQSGX-NXEZZACHSA-N 1 1 306.326 -1.800 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1COc2ccccc2O1 ZINC001078123075 677912780 /nfs/dbraw/zinc/91/27/80/677912780.db2.gz BTSJZWDUZLNNFF-GYSYKLTISA-N 1 1 308.334 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1COc2ccccc2O1 ZINC001078123075 677912782 /nfs/dbraw/zinc/91/27/82/677912782.db2.gz BTSJZWDUZLNNFF-GYSYKLTISA-N 1 1 308.334 -1.020 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001078124527 677912787 /nfs/dbraw/zinc/91/27/87/677912787.db2.gz VRNBQORJJVZNOW-GHMZBOCLSA-N 1 1 324.381 -1.112 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001078123449 677912809 /nfs/dbraw/zinc/91/28/09/677912809.db2.gz STKSSGUCSQLHIA-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150619 677913415 /nfs/dbraw/zinc/91/34/15/677913415.db2.gz HZSAQUHNYWNFLK-OPRDCNLKSA-N 1 1 323.353 -1.615 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078140938 677913470 /nfs/dbraw/zinc/91/34/70/677913470.db2.gz FNTXXPTZFKJXNG-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001078140938 677913473 /nfs/dbraw/zinc/91/34/73/677913473.db2.gz FNTXXPTZFKJXNG-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078150975 677913478 /nfs/dbraw/zinc/91/34/78/677913478.db2.gz ZTDSRUQZZDCSTD-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001078135911 677913588 /nfs/dbraw/zinc/91/35/88/677913588.db2.gz WXZDILAIJVAGLY-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001078135911 677913593 /nfs/dbraw/zinc/91/35/93/677913593.db2.gz WXZDILAIJVAGLY-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144255 677913906 /nfs/dbraw/zinc/91/39/06/677913906.db2.gz GXZIOXCGBIHIAD-GHMZBOCLSA-N 1 1 312.370 -1.302 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001078142221 677913915 /nfs/dbraw/zinc/91/39/15/677913915.db2.gz NDYHUJWPIRBUOM-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078142458 677913931 /nfs/dbraw/zinc/91/39/31/677913931.db2.gz YKWWPSULOURLEL-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1=O ZINC001078144469 677914211 /nfs/dbraw/zinc/91/42/11/677914211.db2.gz PPNCYEKSKHBBBJ-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144355 677914348 /nfs/dbraw/zinc/91/43/48/677914348.db2.gz LAHAHCGNKVPICD-OPRDCNLKSA-N 1 1 314.342 -2.578 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144529 677914408 /nfs/dbraw/zinc/91/44/08/677914408.db2.gz UEVUXKQIECOSHR-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO NC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC001078156949 677914550 /nfs/dbraw/zinc/91/45/50/677914550.db2.gz KHLVZDUIBQHLLQ-VXGBXAGGSA-N 1 1 308.338 -1.056 20 0 DAADMO NC(=O)Nc1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001078156949 677914554 /nfs/dbraw/zinc/91/45/54/677914554.db2.gz KHLVZDUIBQHLLQ-VXGBXAGGSA-N 1 1 308.338 -1.056 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150546 677914956 /nfs/dbraw/zinc/91/49/56/677914956.db2.gz FIORMNYLJWXCDK-IWSPIJDZSA-N 1 1 309.326 -2.269 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150546 677914959 /nfs/dbraw/zinc/91/49/59/677914959.db2.gz FIORMNYLJWXCDK-IWSPIJDZSA-N 1 1 309.326 -2.269 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078151911 677915074 /nfs/dbraw/zinc/91/50/74/677915074.db2.gz STKYZMRUOACMEF-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO CCCCn1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)ccc1=O ZINC001078163367 677915390 /nfs/dbraw/zinc/91/53/90/677915390.db2.gz JZRIUYCMXNWVHK-CHWSQXEVSA-N 1 1 324.381 -1.189 20 0 DAADMO CCCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001078163367 677915393 /nfs/dbraw/zinc/91/53/93/677915393.db2.gz JZRIUYCMXNWVHK-CHWSQXEVSA-N 1 1 324.381 -1.189 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078167730 677916159 /nfs/dbraw/zinc/91/61/59/677916159.db2.gz NSKWUNPNFKACDG-GHMZBOCLSA-N 1 1 310.354 -1.083 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)[nH]1 ZINC001078168769 677916375 /nfs/dbraw/zinc/91/63/75/677916375.db2.gz LGSIYUXGPZLJSF-VXGBXAGGSA-N 1 1 310.354 -1.505 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174781 677917000 /nfs/dbraw/zinc/91/70/00/677917000.db2.gz RYUNKQYIWXKERL-RAIGVLPGSA-N 1 1 308.386 -1.572 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174780 677917036 /nfs/dbraw/zinc/91/70/36/677917036.db2.gz RYUNKQYIWXKERL-CYZMBNFOSA-N 1 1 308.386 -1.572 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174610 677917041 /nfs/dbraw/zinc/91/70/41/677917041.db2.gz QIFORIGQPMDVIE-YNEHKIRRSA-N 1 1 310.398 -1.668 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001078174509 677917093 /nfs/dbraw/zinc/91/70/93/677917093.db2.gz NOIFMRJSDNKMDA-JHJVBQTASA-N 1 1 308.386 -1.609 20 0 DAADMO CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174073 677917209 /nfs/dbraw/zinc/91/72/09/677917209.db2.gz ANHKEOOKJGUACX-MRVWCRGKSA-N 1 1 322.413 -1.089 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001078183425 677917315 /nfs/dbraw/zinc/91/73/15/677917315.db2.gz PRAURFSOZKRFDW-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078174352 677917391 /nfs/dbraw/zinc/91/73/91/677917391.db2.gz JEAKGHHNYZGNHG-IACUBPJLSA-N 1 1 322.413 -1.089 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175075 677917428 /nfs/dbraw/zinc/91/74/28/677917428.db2.gz VVKYPIGFYPXDAP-HBNTYKKESA-N 1 1 309.374 -2.177 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174608 677917433 /nfs/dbraw/zinc/91/74/33/677917433.db2.gz QGKQRMOSPWEPLW-QJPTWQEYSA-N 1 1 308.386 -1.572 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001078174174 677917449 /nfs/dbraw/zinc/91/74/49/677917449.db2.gz DBWPOLZTAOTYBG-IJLUTSLNSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001078174174 677917451 /nfs/dbraw/zinc/91/74/51/677917451.db2.gz DBWPOLZTAOTYBG-IJLUTSLNSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001078174174 677917454 /nfs/dbraw/zinc/91/74/54/677917454.db2.gz DBWPOLZTAOTYBG-IJLUTSLNSA-N 1 1 308.386 -1.274 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193469 677917690 /nfs/dbraw/zinc/91/76/90/677917690.db2.gz RSLNBHLEUICNBW-QJPTWQEYSA-N 1 1 319.427 -1.115 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078184758 677917895 /nfs/dbraw/zinc/91/78/95/677917895.db2.gz KRYAPJCZWWOUGK-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182027 677918549 /nfs/dbraw/zinc/91/85/49/677918549.db2.gz BISMWQCBIFISIY-YUSALJHKSA-N 1 1 309.370 -1.513 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001078195961 677918827 /nfs/dbraw/zinc/91/88/27/677918827.db2.gz IRXSCNKRVGKAAA-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001078195961 677918829 /nfs/dbraw/zinc/91/88/29/677918829.db2.gz IRXSCNKRVGKAAA-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H](C1CC1)N1CCOCC1 ZINC001078213796 677919608 /nfs/dbraw/zinc/91/96/08/677919608.db2.gz CXYULTSREGWCHR-MCIONIFRSA-N 1 1 313.398 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H](C1CC1)N1CCOCC1 ZINC001078213796 677919611 /nfs/dbraw/zinc/91/96/11/677919611.db2.gz CXYULTSREGWCHR-MCIONIFRSA-N 1 1 313.398 -1.749 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001078219706 677919673 /nfs/dbraw/zinc/91/96/73/677919673.db2.gz KHCYTVNUFJAPSK-IJLUTSLNSA-N 1 1 309.370 -1.697 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001078220064 677920233 /nfs/dbraw/zinc/92/02/33/677920233.db2.gz XTFCQHVNLAOBEY-QJPTWQEYSA-N 1 1 309.370 -1.352 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229422 677920613 /nfs/dbraw/zinc/92/06/13/677920613.db2.gz HEWTWZSOWBGKNA-CKYFFXLPSA-N 1 1 324.385 -1.416 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCCC1=O ZINC001078224763 677920836 /nfs/dbraw/zinc/92/08/36/677920836.db2.gz YKSKNKRSCVZEMA-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246209 677921124 /nfs/dbraw/zinc/92/11/24/677921124.db2.gz QAFOCNUEJULBGZ-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)n(C)c1=O ZINC001078239560 677921168 /nfs/dbraw/zinc/92/11/68/677921168.db2.gz BBPLMDFYQXAMMB-NQBHXWOUSA-N 1 1 324.381 -1.465 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078247087 677921335 /nfs/dbraw/zinc/92/13/35/677921335.db2.gz GTHHCBOXIPZHDE-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078270698 677921582 /nfs/dbraw/zinc/92/15/82/677921582.db2.gz JEKKTBHFNAMUMP-VXGBXAGGSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078270698 677921585 /nfs/dbraw/zinc/92/15/85/677921585.db2.gz JEKKTBHFNAMUMP-VXGBXAGGSA-N 1 1 322.369 -1.930 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078273491 677922201 /nfs/dbraw/zinc/92/22/01/677922201.db2.gz UBRSFDRETHUZMK-RKDXNWHRSA-N 1 1 312.326 -1.739 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078273491 677922202 /nfs/dbraw/zinc/92/22/02/677922202.db2.gz UBRSFDRETHUZMK-RKDXNWHRSA-N 1 1 312.326 -1.739 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299745 677922934 /nfs/dbraw/zinc/92/29/34/677922934.db2.gz IHBJBUMTRFTGQF-GGZOMVNGSA-N 1 1 308.338 -1.664 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078267036 677923086 /nfs/dbraw/zinc/92/30/86/677923086.db2.gz QCXRKMXBLISLEQ-GGZOMVNGSA-N 1 1 308.338 -1.664 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)n1 ZINC001078362205 677924281 /nfs/dbraw/zinc/92/42/81/677924281.db2.gz SCLIURVIQYOUFR-LLVKDONJSA-N 1 1 310.358 -1.602 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078439131 677925112 /nfs/dbraw/zinc/92/51/12/677925112.db2.gz IHZTWNJLNKMVOT-MNOVXSKESA-N 1 1 322.369 -1.178 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424437 677925175 /nfs/dbraw/zinc/92/51/75/677925175.db2.gz UJPXCDALVUBRLM-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078439130 677925195 /nfs/dbraw/zinc/92/51/95/677925195.db2.gz IHZTWNJLNKMVOT-GHMZBOCLSA-N 1 1 322.369 -1.178 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1)c1nnnn1C ZINC001078458391 677925571 /nfs/dbraw/zinc/92/55/71/677925571.db2.gz GXQIGRZENKPZBB-IUCAKERBSA-N 1 1 311.346 -2.037 20 0 DAADMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)on1 ZINC001078458236 677925911 /nfs/dbraw/zinc/92/59/11/677925911.db2.gz COPBLVYRSJMEQB-SNVBAGLBSA-N 1 1 312.326 -1.124 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078457427 677926053 /nfs/dbraw/zinc/92/60/53/677926053.db2.gz WTSFDRJTWKQJDT-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)nc1=O ZINC001078456692 677926072 /nfs/dbraw/zinc/92/60/72/677926072.db2.gz FKDBODULYQUPNU-MRVPVSSYSA-N 1 1 312.330 -2.699 20 0 DAADMO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078457078 677926081 /nfs/dbraw/zinc/92/60/81/677926081.db2.gz NTRWAXRWWKBUBT-JTQLQIEISA-N 1 1 323.357 -1.800 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078470082 677926545 /nfs/dbraw/zinc/92/65/45/677926545.db2.gz GFOGFGMUILWJQE-UTUOFQBUSA-N 1 1 323.353 -1.102 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3nc[nH]n3)CCCO2)n1 ZINC001078488412 677926953 /nfs/dbraw/zinc/92/69/53/677926953.db2.gz YYRJCRDXLCDUSL-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)CCCO2)n1 ZINC001078488411 677927036 /nfs/dbraw/zinc/92/70/36/677927036.db2.gz YYRJCRDXLCDUSL-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040548625 677933607 /nfs/dbraw/zinc/93/36/07/677933607.db2.gz YLNACPFWFUOPKF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040548625 677933608 /nfs/dbraw/zinc/93/36/08/677933608.db2.gz YLNACPFWFUOPKF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003045446 677939025 /nfs/dbraw/zinc/93/90/25/677939025.db2.gz POUFIPRBNSQHFD-VHSXEESVSA-N 1 1 323.353 -1.946 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001003052016 677939109 /nfs/dbraw/zinc/93/91/09/677939109.db2.gz NGXYXQFYWPFUBU-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001003041694 677939179 /nfs/dbraw/zinc/93/91/79/677939179.db2.gz HDWVBKMDXONKQA-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058388911 677941045 /nfs/dbraw/zinc/94/10/45/677941045.db2.gz RSGUKWGZIMKJST-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061453654 677950167 /nfs/dbraw/zinc/95/01/67/677950167.db2.gz WYXFMAFWHLWCDF-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061452517 677950431 /nfs/dbraw/zinc/95/04/31/677950431.db2.gz CRDZOSOOGWPCHP-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061600011 677957064 /nfs/dbraw/zinc/95/70/64/677957064.db2.gz DWZSICHNGWZNDO-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061600012 677957067 /nfs/dbraw/zinc/95/70/67/677957067.db2.gz DWZSICHNGWZNDO-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061651591 677959897 /nfs/dbraw/zinc/95/98/97/677959897.db2.gz SPOKPXIFISBXLD-SNVBAGLBSA-N 1 1 300.359 -1.845 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061651026 677959984 /nfs/dbraw/zinc/95/99/84/677959984.db2.gz HQZGSFUQKCXSDD-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061724812 677962683 /nfs/dbraw/zinc/96/26/83/677962683.db2.gz XLVFLXQNLWVONO-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061740109 677962867 /nfs/dbraw/zinc/96/28/67/677962867.db2.gz HSQVCZBTJBMAKY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001045510172 677963462 /nfs/dbraw/zinc/96/34/62/677963462.db2.gz ZJRZPVMZMKSWFA-RKDXNWHRSA-N 1 1 314.342 -3.120 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)O1 ZINC001045510172 677963464 /nfs/dbraw/zinc/96/34/64/677963464.db2.gz ZJRZPVMZMKSWFA-RKDXNWHRSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061840844 677966965 /nfs/dbraw/zinc/96/69/65/677966965.db2.gz QIJDGNHIAMUVNR-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061844214 677969365 /nfs/dbraw/zinc/96/93/65/677969365.db2.gz JGQUNAFHMRDYTH-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061841546 677969845 /nfs/dbraw/zinc/96/98/45/677969845.db2.gz CLQSRSYOAGVWMJ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061841545 677969938 /nfs/dbraw/zinc/96/99/38/677969938.db2.gz CLQSRSYOAGVWMJ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061899390 677973132 /nfs/dbraw/zinc/97/31/32/677973132.db2.gz XDACMQDVBAPIHJ-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061908029 677973868 /nfs/dbraw/zinc/97/38/68/677973868.db2.gz RTWWZWSTJRGVBZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CNC(N)=O)CCC1 ZINC001062490367 677979573 /nfs/dbraw/zinc/97/95/73/677979573.db2.gz ZJPCQVZWYRDBDU-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCCCNS(C)(=O)=O)C1 ZINC000900110517 677982986 /nfs/dbraw/zinc/98/29/86/677982986.db2.gz GGUASYUNPXFLRH-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)n1 ZINC001063102022 677986059 /nfs/dbraw/zinc/98/60/59/677986059.db2.gz ZEVGEFFSZLPOLL-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)O1 ZINC001063497600 677987951 /nfs/dbraw/zinc/98/79/51/677987951.db2.gz XCIRVFUXYHUXGY-NXEZZACHSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)O1 ZINC001063497600 677987954 /nfs/dbraw/zinc/98/79/54/677987954.db2.gz XCIRVFUXYHUXGY-NXEZZACHSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001064978601 678008641 /nfs/dbraw/zinc/00/86/41/678008641.db2.gz VXZLDROZQGIBLK-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001064978599 678008768 /nfs/dbraw/zinc/00/87/68/678008768.db2.gz VXZLDROZQGIBLK-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)C(F)F)C2)C1 ZINC001065008812 678010659 /nfs/dbraw/zinc/01/06/59/678010659.db2.gz JIVYQFOZAPKBDV-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)C(F)F)C2)C1 ZINC001065008812 678010661 /nfs/dbraw/zinc/01/06/61/678010661.db2.gz JIVYQFOZAPKBDV-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001065009602 678010740 /nfs/dbraw/zinc/01/07/40/678010740.db2.gz OTTIJGDGSANFJS-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065009602 678010741 /nfs/dbraw/zinc/01/07/41/678010741.db2.gz OTTIJGDGSANFJS-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C(F)F)C2)C1 ZINC001065008811 678010826 /nfs/dbraw/zinc/01/08/26/678010826.db2.gz JIVYQFOZAPKBDV-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C(F)F)C2)C1 ZINC001065008811 678010828 /nfs/dbraw/zinc/01/08/28/678010828.db2.gz JIVYQFOZAPKBDV-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009958 678010884 /nfs/dbraw/zinc/01/08/84/678010884.db2.gz TWZATADKPKNVSL-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009958 678010887 /nfs/dbraw/zinc/01/08/87/678010887.db2.gz TWZATADKPKNVSL-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009956 678010891 /nfs/dbraw/zinc/01/08/91/678010891.db2.gz TWZATADKPKNVSL-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009956 678010894 /nfs/dbraw/zinc/01/08/94/678010894.db2.gz TWZATADKPKNVSL-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065171820 678015891 /nfs/dbraw/zinc/01/58/91/678015891.db2.gz MBTCMKBKVPGTFX-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO NC(=O)C[NH+]1CCC2(CN(C(=O)C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079258281 678018879 /nfs/dbraw/zinc/01/88/79/678018879.db2.gz XAAVQGOGLYKQCL-VHSXEESVSA-N 1 1 310.354 -2.104 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001079285453 678020020 /nfs/dbraw/zinc/02/00/20/678020020.db2.gz XYYKGWKQDUVKCF-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395788 678020808 /nfs/dbraw/zinc/02/08/08/678020808.db2.gz XAMWFBYUHDDKIS-GHMZBOCLSA-N 1 1 322.373 -1.865 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001079497910 678021344 /nfs/dbraw/zinc/02/13/44/678021344.db2.gz ANGNIKMIIGSHML-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493454 678021457 /nfs/dbraw/zinc/02/14/57/678021457.db2.gz QFTAJQINKNFYKB-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493454 678021460 /nfs/dbraw/zinc/02/14/60/678021460.db2.gz QFTAJQINKNFYKB-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN(C(=O)CC(N)=O)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079528829 678022147 /nfs/dbraw/zinc/02/21/47/678022147.db2.gz XLILFAQIQWJNFO-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)CC(N)=O)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079528829 678022149 /nfs/dbraw/zinc/02/21/49/678022149.db2.gz XLILFAQIQWJNFO-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589670 678022926 /nfs/dbraw/zinc/02/29/26/678022926.db2.gz KWIGGBFSQWKJCV-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589670 678022928 /nfs/dbraw/zinc/02/29/28/678022928.db2.gz KWIGGBFSQWKJCV-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526780 678022948 /nfs/dbraw/zinc/02/29/48/678022948.db2.gz SHQHFXABIFSLGV-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526780 678022949 /nfs/dbraw/zinc/02/29/49/678022949.db2.gz SHQHFXABIFSLGV-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602498 678023423 /nfs/dbraw/zinc/02/34/23/678023423.db2.gz PYUQZOJGGWZMFR-GMTAPVOTSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602282 678023504 /nfs/dbraw/zinc/02/35/04/678023504.db2.gz GERAMEZZOUXROI-MXWKQRLJSA-N 1 1 322.369 -1.349 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)C1 ZINC001079629083 678023571 /nfs/dbraw/zinc/02/35/71/678023571.db2.gz DDOKHYIVPWNGCD-WQAKAFBOSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)C1 ZINC001079629083 678023573 /nfs/dbraw/zinc/02/35/73/678023573.db2.gz DDOKHYIVPWNGCD-WQAKAFBOSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648143 678024032 /nfs/dbraw/zinc/02/40/32/678024032.db2.gz HQERUBKGZSWAJF-FBIMIBRVSA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079648143 678024037 /nfs/dbraw/zinc/02/40/37/678024037.db2.gz HQERUBKGZSWAJF-FBIMIBRVSA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079654831 678024166 /nfs/dbraw/zinc/02/41/66/678024166.db2.gz BZWMHADOPNOMPC-GHMZBOCLSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079731529 678025792 /nfs/dbraw/zinc/02/57/92/678025792.db2.gz DZEMKYVLFJRORL-OPRDCNLKSA-N 1 1 310.358 -1.806 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079705256 678025831 /nfs/dbraw/zinc/02/58/31/678025831.db2.gz URFJSKYNGLUNII-JFGNBEQYSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079705256 678025833 /nfs/dbraw/zinc/02/58/33/678025833.db2.gz URFJSKYNGLUNII-JFGNBEQYSA-N 1 1 321.385 -1.223 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001079803870 678026952 /nfs/dbraw/zinc/02/69/52/678026952.db2.gz MMDXBMUJLLVMPA-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803107 678027216 /nfs/dbraw/zinc/02/72/16/678027216.db2.gz HLFKZEVKQKDXSI-OPRDCNLKSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803107 678027219 /nfs/dbraw/zinc/02/72/19/678027219.db2.gz HLFKZEVKQKDXSI-OPRDCNLKSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079808913 678027707 /nfs/dbraw/zinc/02/77/07/678027707.db2.gz IHDPAUYTLYEBIX-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859156 678028441 /nfs/dbraw/zinc/02/84/41/678028441.db2.gz JIZXWJSGNMNIAM-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859156 678028443 /nfs/dbraw/zinc/02/84/43/678028443.db2.gz JIZXWJSGNMNIAM-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079990535 678029787 /nfs/dbraw/zinc/02/97/87/678029787.db2.gz GXMQZYRSAFYZBD-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001079990754 678029867 /nfs/dbraw/zinc/02/98/67/678029867.db2.gz LKXXOPVELQNODH-FRRDWIJNSA-N 1 1 312.414 -1.422 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001079998659 678029932 /nfs/dbraw/zinc/02/99/32/678029932.db2.gz APQXBJNOZHPTDY-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001079998659 678029934 /nfs/dbraw/zinc/02/99/34/678029934.db2.gz APQXBJNOZHPTDY-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001080028416 678029944 /nfs/dbraw/zinc/02/99/44/678029944.db2.gz DPNOXHSLORWWOA-MWLCHTKSSA-N 1 1 307.358 -1.120 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001079996734 678029975 /nfs/dbraw/zinc/02/99/75/678029975.db2.gz AJIPTCKGSOANQR-GHMZBOCLSA-N 1 1 324.385 -1.894 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001079996734 678029976 /nfs/dbraw/zinc/02/99/76/678029976.db2.gz AJIPTCKGSOANQR-GHMZBOCLSA-N 1 1 324.385 -1.894 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080162653 678031481 /nfs/dbraw/zinc/03/14/81/678031481.db2.gz YGHYTGYXTQQLHI-GMTAPVOTSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080162653 678031483 /nfs/dbraw/zinc/03/14/83/678031483.db2.gz YGHYTGYXTQQLHI-GMTAPVOTSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257863 678032845 /nfs/dbraw/zinc/03/28/45/678032845.db2.gz CQQUYYDZIGOSGS-OUAUKWLOSA-N 1 1 311.386 -2.272 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257863 678032848 /nfs/dbraw/zinc/03/28/48/678032848.db2.gz CQQUYYDZIGOSGS-OUAUKWLOSA-N 1 1 311.386 -2.272 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080263772 678033241 /nfs/dbraw/zinc/03/32/41/678033241.db2.gz KGVKOBRETXJFFQ-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080263772 678033246 /nfs/dbraw/zinc/03/32/46/678033246.db2.gz KGVKOBRETXJFFQ-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080263771 678033297 /nfs/dbraw/zinc/03/32/97/678033297.db2.gz KGVKOBRETXJFFQ-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080263771 678033299 /nfs/dbraw/zinc/03/32/99/678033299.db2.gz KGVKOBRETXJFFQ-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265050 678033385 /nfs/dbraw/zinc/03/33/85/678033385.db2.gz PJSQLBURJPQGTE-IJLUTSLNSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277374 678033451 /nfs/dbraw/zinc/03/34/51/678033451.db2.gz OCFXKVPGMLRUPF-OPRDCNLKSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277374 678033453 /nfs/dbraw/zinc/03/34/53/678033453.db2.gz OCFXKVPGMLRUPF-OPRDCNLKSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261638 678033466 /nfs/dbraw/zinc/03/34/66/678033466.db2.gz TVGCUBCWRUQGLF-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080276997 678033474 /nfs/dbraw/zinc/03/34/74/678033474.db2.gz AXMIIHHZEBYZQN-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080276997 678033477 /nfs/dbraw/zinc/03/34/77/678033477.db2.gz AXMIIHHZEBYZQN-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080261639 678033486 /nfs/dbraw/zinc/03/34/86/678033486.db2.gz TVGCUBCWRUQGLF-IJLUTSLNSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360596 678033785 /nfs/dbraw/zinc/03/37/85/678033785.db2.gz DQKNTHIBGSVOKY-OUAUKWLOSA-N 1 1 324.385 -1.871 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281028 678033864 /nfs/dbraw/zinc/03/38/64/678033864.db2.gz LEDYJTMSBHFDTO-IWSPIJDZSA-N 1 1 321.341 -1.935 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281028 678033867 /nfs/dbraw/zinc/03/38/67/678033867.db2.gz LEDYJTMSBHFDTO-IWSPIJDZSA-N 1 1 321.341 -1.935 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290932 678034089 /nfs/dbraw/zinc/03/40/89/678034089.db2.gz XLJIGBFGCHALIB-IJLUTSLNSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290932 678034091 /nfs/dbraw/zinc/03/40/91/678034091.db2.gz XLJIGBFGCHALIB-IJLUTSLNSA-N 1 1 310.398 -1.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346936 678034571 /nfs/dbraw/zinc/03/45/71/678034571.db2.gz XBRIBJRENDNWOH-FXPVBKGRSA-N 1 1 307.354 -1.046 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346936 678034573 /nfs/dbraw/zinc/03/45/73/678034573.db2.gz XBRIBJRENDNWOH-FXPVBKGRSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080369253 678034784 /nfs/dbraw/zinc/03/47/84/678034784.db2.gz PGIZYBXFGLTSDV-OUAUKWLOSA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)C(N)=O ZINC001080370622 678034900 /nfs/dbraw/zinc/03/49/00/678034900.db2.gz BFGHFVUJHJBMED-PSASIEDQSA-N 1 1 323.353 -2.494 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)C(N)=O ZINC001080370622 678034902 /nfs/dbraw/zinc/03/49/02/678034902.db2.gz BFGHFVUJHJBMED-PSASIEDQSA-N 1 1 323.353 -2.494 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C(N)=O ZINC001080369110 678034991 /nfs/dbraw/zinc/03/49/91/678034991.db2.gz JSZBCYOCUCYXHP-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C(N)=O ZINC001080369110 678034992 /nfs/dbraw/zinc/03/49/92/678034992.db2.gz JSZBCYOCUCYXHP-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001080400832 678035361 /nfs/dbraw/zinc/03/53/61/678035361.db2.gz YMQKINKJEFUPLQ-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080405020 678036005 /nfs/dbraw/zinc/03/60/05/678036005.db2.gz JGVWMLGIPVZJRM-UHFFFAOYSA-N 1 1 323.353 -1.106 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001080547759 678037196 /nfs/dbraw/zinc/03/71/96/678037196.db2.gz SVXTVBDQBDEBQS-MWLCHTKSSA-N 1 1 310.354 -1.874 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001080596998 678037732 /nfs/dbraw/zinc/03/77/32/678037732.db2.gz JLFVNSCOZCGQTA-GMTAPVOTSA-N 1 1 305.400 -1.551 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612904 678038207 /nfs/dbraw/zinc/03/82/07/678038207.db2.gz ZHUPKFFYIIRCIY-KHQFGBGNSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612904 678038210 /nfs/dbraw/zinc/03/82/10/678038210.db2.gz ZHUPKFFYIIRCIY-KHQFGBGNSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080634620 678038929 /nfs/dbraw/zinc/03/89/29/678038929.db2.gz BWGVLMLZXBVQQD-OPRDCNLKSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080634620 678038930 /nfs/dbraw/zinc/03/89/30/678038930.db2.gz BWGVLMLZXBVQQD-OPRDCNLKSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001080733320 678040562 /nfs/dbraw/zinc/04/05/62/678040562.db2.gz NDHNBHOJJOYIKI-GMTAPVOTSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001080776511 678041179 /nfs/dbraw/zinc/04/11/79/678041179.db2.gz GOCWWPLWOBIIIW-FXPVBKGRSA-N 1 1 320.353 -1.152 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080812049 678042165 /nfs/dbraw/zinc/04/21/65/678042165.db2.gz LSTHLVJAEQBJIL-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906495 678043360 /nfs/dbraw/zinc/04/33/60/678043360.db2.gz DZIJZJYRQCZUJG-IWSPIJDZSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906495 678043362 /nfs/dbraw/zinc/04/33/62/678043362.db2.gz DZIJZJYRQCZUJG-IWSPIJDZSA-N 1 1 311.342 -2.152 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906439 678043473 /nfs/dbraw/zinc/04/34/73/678043473.db2.gz BUDORYQDHWAMRI-RKDXNWHRSA-N 1 1 311.342 -2.279 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906439 678043476 /nfs/dbraw/zinc/04/34/76/678043476.db2.gz BUDORYQDHWAMRI-RKDXNWHRSA-N 1 1 311.342 -2.279 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903254 678043484 /nfs/dbraw/zinc/04/34/84/678043484.db2.gz JNGYYYZHPJZZGW-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903254 678043488 /nfs/dbraw/zinc/04/34/88/678043488.db2.gz JNGYYYZHPJZZGW-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080906863 678043555 /nfs/dbraw/zinc/04/35/55/678043555.db2.gz OWBMKIULXXXEPK-BBBLOLIVSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080906863 678043559 /nfs/dbraw/zinc/04/35/59/678043559.db2.gz OWBMKIULXXXEPK-BBBLOLIVSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001080908034 678043743 /nfs/dbraw/zinc/04/37/43/678043743.db2.gz RSBOWIPOOIHRDT-GMTAPVOTSA-N 1 1 312.370 -1.302 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913592 678044098 /nfs/dbraw/zinc/04/40/98/678044098.db2.gz RKAHNBRMUZOWAX-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913592 678044100 /nfs/dbraw/zinc/04/41/00/678044100.db2.gz RKAHNBRMUZOWAX-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001080931849 678044110 /nfs/dbraw/zinc/04/41/10/678044110.db2.gz NPTPVDOWIJGADJ-VXNVDRBHSA-N 1 1 309.326 -1.979 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001080931849 678044111 /nfs/dbraw/zinc/04/41/11/678044111.db2.gz NPTPVDOWIJGADJ-VXNVDRBHSA-N 1 1 309.326 -1.979 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080915003 678044115 /nfs/dbraw/zinc/04/41/15/678044115.db2.gz FHZGWFCIWZJHGQ-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080931939 678044148 /nfs/dbraw/zinc/04/41/48/678044148.db2.gz SKHFPAXNLQXPBD-FXPVBKGRSA-N 1 1 310.354 -1.083 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1 ZINC001080916728 678044158 /nfs/dbraw/zinc/04/41/58/678044158.db2.gz CINWGWRLJFBPDJ-MWLCHTKSSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1 ZINC001080916728 678044161 /nfs/dbraw/zinc/04/41/61/678044161.db2.gz CINWGWRLJFBPDJ-MWLCHTKSSA-N 1 1 311.386 -1.301 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080978731 678046274 /nfs/dbraw/zinc/04/62/74/678046274.db2.gz OTNBXBPWBWWTSL-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(CO)(NC(=O)C(N)=O)CC2)C1 ZINC001080978691 678046483 /nfs/dbraw/zinc/04/64/83/678046483.db2.gz MUYODGJXYXOCCY-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011187 678046668 /nfs/dbraw/zinc/04/66/68/678046668.db2.gz LWOFTUWRPQVRNY-OPRDCNLKSA-N 1 1 309.370 -1.352 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011187 678046670 /nfs/dbraw/zinc/04/66/70/678046670.db2.gz LWOFTUWRPQVRNY-OPRDCNLKSA-N 1 1 309.370 -1.352 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001080999978 678046697 /nfs/dbraw/zinc/04/66/97/678046697.db2.gz QWCYCUPSTQPKQX-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011017 678046768 /nfs/dbraw/zinc/04/67/68/678046768.db2.gz CKTBEUTZLMBCOS-GMTAPVOTSA-N 1 1 321.381 -1.338 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011017 678046771 /nfs/dbraw/zinc/04/67/71/678046771.db2.gz CKTBEUTZLMBCOS-GMTAPVOTSA-N 1 1 321.381 -1.338 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080968469 678046812 /nfs/dbraw/zinc/04/68/12/678046812.db2.gz AEDCHUHNDZIBOU-YUSALJHKSA-N 1 1 312.370 -1.845 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080968469 678046816 /nfs/dbraw/zinc/04/68/16/678046816.db2.gz AEDCHUHNDZIBOU-YUSALJHKSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001081063542 678047202 /nfs/dbraw/zinc/04/72/02/678047202.db2.gz JGBBQUNAVHWDCQ-OUAUKWLOSA-N 1 1 324.381 -1.436 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001081063542 678047203 /nfs/dbraw/zinc/04/72/03/678047203.db2.gz JGBBQUNAVHWDCQ-OUAUKWLOSA-N 1 1 324.381 -1.436 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC001081166507 678051549 /nfs/dbraw/zinc/05/15/49/678051549.db2.gz KDKJOIGXRKZBEE-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC)C1 ZINC001081181611 678054929 /nfs/dbraw/zinc/05/49/29/678054929.db2.gz UOEVWZDGTGYXHL-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001081188729 678055903 /nfs/dbraw/zinc/05/59/03/678055903.db2.gz JSGOHAIRTJRFGL-NWDGAFQWSA-N 1 1 310.354 -1.227 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001081188330 678055970 /nfs/dbraw/zinc/05/59/70/678055970.db2.gz FVJDKKNETBISPQ-RYUDHWBXSA-N 1 1 310.354 -1.227 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081368110 678071092 /nfs/dbraw/zinc/07/10/92/678071092.db2.gz KXFIFFRQYIHVLW-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081368270 678071148 /nfs/dbraw/zinc/07/11/48/678071148.db2.gz MJYHUNTZAFCMTN-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081398061 678073077 /nfs/dbraw/zinc/07/30/77/678073077.db2.gz AZRSYLBWOCFLLP-VXGBXAGGSA-N 1 1 322.369 -1.136 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001081398061 678073081 /nfs/dbraw/zinc/07/30/81/678073081.db2.gz AZRSYLBWOCFLLP-VXGBXAGGSA-N 1 1 322.369 -1.136 20 0 DAADMO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081437739 678078934 /nfs/dbraw/zinc/07/89/34/678078934.db2.gz FNHMHBNABIHUDR-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO COCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001081500562 678080891 /nfs/dbraw/zinc/08/08/91/678080891.db2.gz USPKKHICEJUSOB-VXGBXAGGSA-N 1 1 310.354 -1.227 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081554223 678083404 /nfs/dbraw/zinc/08/34/04/678083404.db2.gz SWGGBTLIDQCOKZ-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081590027 678084092 /nfs/dbraw/zinc/08/40/92/678084092.db2.gz LUAGEFBXIFHYQB-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)C1CCC1 ZINC001081565423 678084220 /nfs/dbraw/zinc/08/42/20/678084220.db2.gz YORHUTGWAHBEMC-KOLCDFICSA-N 1 1 312.370 -2.109 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001081565559 678084702 /nfs/dbraw/zinc/08/47/02/678084702.db2.gz BLPKENRLTVUJNU-GMTAPVOTSA-N 1 1 313.358 -1.166 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081549985 678087976 /nfs/dbraw/zinc/08/79/76/678087976.db2.gz DEPXQMDBEPWDFX-QWRGUYRKSA-N 1 1 314.386 -1.863 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081632459 678088616 /nfs/dbraw/zinc/08/86/16/678088616.db2.gz OVOLCDDHKSSKAN-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)COC)C[C@@H]1O ZINC001081631706 678088639 /nfs/dbraw/zinc/08/86/39/678088639.db2.gz FCXCORFOEPKPQE-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081634219 678089012 /nfs/dbraw/zinc/08/90/12/678089012.db2.gz DJFPAIGICLODST-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081634029 678089046 /nfs/dbraw/zinc/08/90/46/678089046.db2.gz BJLVRTJCAITKSY-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081634437 678089297 /nfs/dbraw/zinc/08/92/97/678089297.db2.gz HPERJDXPAHKWHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081603193 678090505 /nfs/dbraw/zinc/09/05/05/678090505.db2.gz BIGAJRFNJWLECR-MNOVXSKESA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001081606998 678090509 /nfs/dbraw/zinc/09/05/09/678090509.db2.gz DDXGZTPUWLMSJU-GRYCIOLGSA-N 1 1 323.353 -1.193 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081607551 678090533 /nfs/dbraw/zinc/09/05/33/678090533.db2.gz SXBCBNWXCDRNIC-NXEZZACHSA-N 1 1 309.326 -2.388 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652484 678091918 /nfs/dbraw/zinc/09/19/18/678091918.db2.gz BLWNGXUIMBNZHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652484 678091919 /nfs/dbraw/zinc/09/19/19/678091919.db2.gz BLWNGXUIMBNZHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653461 678091970 /nfs/dbraw/zinc/09/19/70/678091970.db2.gz OIAPDNCRJKSAJM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653461 678091971 /nfs/dbraw/zinc/09/19/71/678091971.db2.gz OIAPDNCRJKSAJM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653461 678091972 /nfs/dbraw/zinc/09/19/72/678091972.db2.gz OIAPDNCRJKSAJM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653461 678091973 /nfs/dbraw/zinc/09/19/73/678091973.db2.gz OIAPDNCRJKSAJM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653461 678091975 /nfs/dbraw/zinc/09/19/75/678091975.db2.gz OIAPDNCRJKSAJM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081674089 678093396 /nfs/dbraw/zinc/09/33/96/678093396.db2.gz ZOPQPDQMEMYKNK-JHJVBQTASA-N 1 1 324.385 -1.085 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081712719 678096282 /nfs/dbraw/zinc/09/62/82/678096282.db2.gz BTUDUOAUFNNTHU-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081717089 678099621 /nfs/dbraw/zinc/09/96/21/678099621.db2.gz TZXIPOXAFBASDJ-ZJUUUORDSA-N 1 1 309.326 -2.388 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001081716743 678099730 /nfs/dbraw/zinc/09/97/30/678099730.db2.gz RFXUAHGDAONJRH-GXSJLCMTSA-N 1 1 312.370 -2.109 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081721079 678101955 /nfs/dbraw/zinc/10/19/55/678101955.db2.gz GDGXESHXJBIGSG-NXEZZACHSA-N 1 1 314.386 -1.863 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001081727384 678102823 /nfs/dbraw/zinc/10/28/23/678102823.db2.gz PHNIDPOHLUZENT-ZYHUDNBSSA-N 1 1 309.370 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081773658 678104028 /nfs/dbraw/zinc/10/40/28/678104028.db2.gz DPZUFJAULZOUKN-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cc2nnc[nH]2)[C@H](O)C1 ZINC001081791076 678105213 /nfs/dbraw/zinc/10/52/13/678105213.db2.gz MVFUJGIJRUJTJI-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001081800788 678106011 /nfs/dbraw/zinc/10/60/11/678106011.db2.gz UTDIMIZZXCNVKV-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nc2ncc(C)cn2n1 ZINC001081835697 678106310 /nfs/dbraw/zinc/10/63/10/678106310.db2.gz GPXBAEDTHZGJCP-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nc2ncc(C)cn2n1 ZINC001081835697 678106312 /nfs/dbraw/zinc/10/63/12/678106312.db2.gz GPXBAEDTHZGJCP-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081803011 678106509 /nfs/dbraw/zinc/10/65/09/678106509.db2.gz OYQUGDYZWNVOKW-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081803224 678106569 /nfs/dbraw/zinc/10/65/69/678106569.db2.gz YSMYALUXCMODGE-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001081808387 678106635 /nfs/dbraw/zinc/10/66/35/678106635.db2.gz KZQCKWWRBKZXEC-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001081803012 678106660 /nfs/dbraw/zinc/10/66/60/678106660.db2.gz OYQUGDYZWNVOKW-QJPTWQEYSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001081868301 678107027 /nfs/dbraw/zinc/10/70/27/678107027.db2.gz FEZOQECPLYHJAX-CHWSQXEVSA-N 1 1 312.414 -1.016 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001081868339 678107140 /nfs/dbraw/zinc/10/71/40/678107140.db2.gz HDPVUIQFFDHIFB-VXGBXAGGSA-N 1 1 314.386 -2.432 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001081873130 678107296 /nfs/dbraw/zinc/10/72/96/678107296.db2.gz IFPRMOANVARGPB-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001081908479 678107689 /nfs/dbraw/zinc/10/76/89/678107689.db2.gz DRKIZESPRQLHTO-NXEZZACHSA-N 1 1 312.326 -2.243 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001081892173 678108066 /nfs/dbraw/zinc/10/80/66/678108066.db2.gz PTPGKJUAXUEHQE-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001081892172 678108103 /nfs/dbraw/zinc/10/81/03/678108103.db2.gz PTPGKJUAXUEHQE-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnc2c(c1)nnn2C ZINC001081955085 678108317 /nfs/dbraw/zinc/10/83/17/678108317.db2.gz WDRMAPIYTSEXNP-VXGBXAGGSA-N 1 1 320.353 -1.215 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnc2c(c1)nnn2C ZINC001081955085 678108320 /nfs/dbraw/zinc/10/83/20/678108320.db2.gz WDRMAPIYTSEXNP-VXGBXAGGSA-N 1 1 320.353 -1.215 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1[nH]nnc1C ZINC001082011609 678109214 /nfs/dbraw/zinc/10/92/14/678109214.db2.gz CQDGTBSYVQRCQB-GHMZBOCLSA-N 1 1 320.357 -1.166 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1[nH]nnc1C ZINC001082011609 678109216 /nfs/dbraw/zinc/10/92/16/678109216.db2.gz CQDGTBSYVQRCQB-GHMZBOCLSA-N 1 1 320.357 -1.166 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001082021093 678109699 /nfs/dbraw/zinc/10/96/99/678109699.db2.gz SBSVBGDUZBPPPF-OUAUKWLOSA-N 1 1 300.359 -1.528 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccoc1CC(N)=O ZINC001082067677 678110208 /nfs/dbraw/zinc/11/02/08/678110208.db2.gz XIAOFVOJJTZVPG-ZYHUDNBSSA-N 1 1 311.338 -1.271 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccoc1CC(N)=O ZINC001082067677 678110211 /nfs/dbraw/zinc/11/02/11/678110211.db2.gz XIAOFVOJJTZVPG-ZYHUDNBSSA-N 1 1 311.338 -1.271 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082129388 678111838 /nfs/dbraw/zinc/11/18/38/678111838.db2.gz OJZAAUWSWPDADY-LMLFDSFASA-N 1 1 301.343 -2.173 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082129388 678111840 /nfs/dbraw/zinc/11/18/40/678111840.db2.gz OJZAAUWSWPDADY-LMLFDSFASA-N 1 1 301.343 -2.173 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](OC)C1 ZINC001082196600 678112200 /nfs/dbraw/zinc/11/22/00/678112200.db2.gz TYMRDMZFFPJACF-GHMZBOCLSA-N 1 1 310.354 -1.467 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001082234803 678112523 /nfs/dbraw/zinc/11/25/23/678112523.db2.gz DTDBUUQLLYLALO-JMJZKYOTSA-N 1 1 313.354 -1.765 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 ZINC001082224426 678112692 /nfs/dbraw/zinc/11/26/92/678112692.db2.gz IXVXSKWCCWIYRC-GMTAPVOTSA-N 1 1 305.400 -1.144 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 ZINC001082224426 678112693 /nfs/dbraw/zinc/11/26/93/678112693.db2.gz IXVXSKWCCWIYRC-GMTAPVOTSA-N 1 1 305.400 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082245018 678113082 /nfs/dbraw/zinc/11/30/82/678113082.db2.gz VBRDKZXZQOAURX-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001082230425 678113114 /nfs/dbraw/zinc/11/31/14/678113114.db2.gz MLAAMZVFAIDXFM-GHMZBOCLSA-N 1 1 321.337 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001082255340 678113452 /nfs/dbraw/zinc/11/34/52/678113452.db2.gz IGHDIABCILCUOM-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)cn1 ZINC001082330560 678114684 /nfs/dbraw/zinc/11/46/84/678114684.db2.gz BCGCVONUZLUZMW-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)cn1 ZINC001082330560 678114686 /nfs/dbraw/zinc/11/46/86/678114686.db2.gz BCGCVONUZLUZMW-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccnc2nc(C)nn21 ZINC001082323973 678115123 /nfs/dbraw/zinc/11/51/23/678115123.db2.gz VXQJHPZMDXWXOC-ZYHUDNBSSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccnc2nc(C)nn21 ZINC001082323973 678115125 /nfs/dbraw/zinc/11/51/25/678115125.db2.gz VXQJHPZMDXWXOC-ZYHUDNBSSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1CCN(C(N)=O)CC1 ZINC001082363240 678115898 /nfs/dbraw/zinc/11/58/98/678115898.db2.gz UQZJMIRRGWMWJC-VXGBXAGGSA-N 1 1 314.386 -1.415 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374863 678116374 /nfs/dbraw/zinc/11/63/74/678116374.db2.gz SYXFDLHYEYFLIQ-IJLUTSLNSA-N 1 1 317.411 -1.097 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001082381701 678116840 /nfs/dbraw/zinc/11/68/40/678116840.db2.gz XOZDUWYCTNQMQG-GHMZBOCLSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001082381701 678116842 /nfs/dbraw/zinc/11/68/42/678116842.db2.gz XOZDUWYCTNQMQG-GHMZBOCLSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001082386896 678116860 /nfs/dbraw/zinc/11/68/60/678116860.db2.gz APKJQKIPILXFDA-HOSYDEDBSA-N 1 1 312.370 -1.466 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](OC)C1 ZINC001082401119 678117242 /nfs/dbraw/zinc/11/72/42/678117242.db2.gz BJPZLSURBWOTHN-HBNTYKKESA-N 1 1 313.354 -1.499 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001082395448 678117342 /nfs/dbraw/zinc/11/73/42/678117342.db2.gz CZMPKLVADQNWPV-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082482654 678117532 /nfs/dbraw/zinc/11/75/32/678117532.db2.gz PXKPSYYDGOVLKA-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082458033 678117582 /nfs/dbraw/zinc/11/75/82/678117582.db2.gz UUXMTRQOWBUCKA-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082496997 678117654 /nfs/dbraw/zinc/11/76/54/678117654.db2.gz SPOFHNHDEUJTOI-OPRDCNLKSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082497066 678117768 /nfs/dbraw/zinc/11/77/68/678117768.db2.gz VRYKNBFUOOCWEW-FBIMIBRVSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)c1nncn1C ZINC001082514185 678118182 /nfs/dbraw/zinc/11/81/82/678118182.db2.gz OIDXGSFMEDJBJH-OUAUKWLOSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082556619 678118200 /nfs/dbraw/zinc/11/82/00/678118200.db2.gz WRVMMFFGWPXMDM-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082684677 678118770 /nfs/dbraw/zinc/11/87/70/678118770.db2.gz KHOMFMANENUQCY-OPRDCNLKSA-N 1 1 322.373 -1.830 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)c1nnnn1C ZINC001082691408 678118793 /nfs/dbraw/zinc/11/87/93/678118793.db2.gz UNUIZPPMBHNDIG-HRDYMLBCSA-N 1 1 320.361 -1.455 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082684591 678118799 /nfs/dbraw/zinc/11/87/99/678118799.db2.gz HBVIJZYHTHVFPZ-MXWKQRLJSA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082689066 678118871 /nfs/dbraw/zinc/11/88/71/678118871.db2.gz YYAOONGLAMRPNB-MXWKQRLJSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001082682710 678118927 /nfs/dbraw/zinc/11/89/27/678118927.db2.gz DXLHLVGUAMDTKP-OUAUKWLOSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082684587 678118930 /nfs/dbraw/zinc/11/89/30/678118930.db2.gz HBEDHIIQJFTTQQ-JLLWLGSASA-N 1 1 321.385 -1.225 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C)n1 ZINC001082715296 678119299 /nfs/dbraw/zinc/11/92/99/678119299.db2.gz SLYKKWMNUKPLJZ-YUSALJHKSA-N 1 1 321.385 -1.084 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)c1nnnn1C ZINC001082717220 678119312 /nfs/dbraw/zinc/11/93/12/678119312.db2.gz ALKXWVHBAYINIS-OPRDCNLKSA-N 1 1 321.385 -1.027 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082713897 678119334 /nfs/dbraw/zinc/11/93/34/678119334.db2.gz NSUPFAPCTHPKOB-FBIMIBRVSA-N 1 1 307.358 -1.567 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)c1nnnn1C1CC1 ZINC001082716419 678119363 /nfs/dbraw/zinc/11/93/63/678119363.db2.gz JSERGWRZEVGLFZ-NQMVMOMDSA-N 1 1 307.358 -1.009 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082802479 678119570 /nfs/dbraw/zinc/11/95/70/678119570.db2.gz KILTWMPWGOCKKF-OUAUKWLOSA-N 1 1 321.385 -1.185 20 0 DAADMO CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@@H]21 ZINC001082971271 678120392 /nfs/dbraw/zinc/12/03/92/678120392.db2.gz ZUMQZWRUEBERNW-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@@H]21 ZINC001082971271 678120395 /nfs/dbraw/zinc/12/03/95/678120395.db2.gz ZUMQZWRUEBERNW-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082969248 678120401 /nfs/dbraw/zinc/12/04/01/678120401.db2.gz KLWMHBYXKJWFLI-GARJFASQSA-N 1 1 311.338 -1.650 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082969248 678120402 /nfs/dbraw/zinc/12/04/02/678120402.db2.gz KLWMHBYXKJWFLI-GARJFASQSA-N 1 1 311.338 -1.650 20 0 DAADMO CCC(=O)N1CCO[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001082970323 678120418 /nfs/dbraw/zinc/12/04/18/678120418.db2.gz HEQHDNMOPBCMHX-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]21 ZINC001082970323 678120420 /nfs/dbraw/zinc/12/04/20/678120420.db2.gz HEQHDNMOPBCMHX-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(c1cnccn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082986044 678120536 /nfs/dbraw/zinc/12/05/36/678120536.db2.gz HEOJYIUMICAZIM-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cnccn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082986044 678120537 /nfs/dbraw/zinc/12/05/37/678120537.db2.gz HEOJYIUMICAZIM-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cncn3)[C@H]2C1 ZINC001083003797 678120907 /nfs/dbraw/zinc/12/09/07/678120907.db2.gz UTAUXWKBLSQNNU-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO Nc1nccnc1C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083028445 678121421 /nfs/dbraw/zinc/12/14/21/678121421.db2.gz PRWAGUPNORUTBR-WDEREUQCSA-N 1 1 307.354 -1.034 20 0 DAADMO Nc1nccnc1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083028445 678121422 /nfs/dbraw/zinc/12/14/22/678121422.db2.gz PRWAGUPNORUTBR-WDEREUQCSA-N 1 1 307.354 -1.034 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083069004 678121793 /nfs/dbraw/zinc/12/17/93/678121793.db2.gz CBPVEMFTFNJYDN-ZMLRMANQSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083069004 678121795 /nfs/dbraw/zinc/12/17/95/678121795.db2.gz CBPVEMFTFNJYDN-ZMLRMANQSA-N 1 1 320.353 -1.771 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001083034722 678122035 /nfs/dbraw/zinc/12/20/35/678122035.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 1 1 313.398 -1.125 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001083034722 678122037 /nfs/dbraw/zinc/12/20/37/678122037.db2.gz PGROFIRJZGFSRT-BFHYXJOUSA-N 1 1 313.398 -1.125 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCOCC3)[C@H]2C1 ZINC001083054928 678122109 /nfs/dbraw/zinc/12/21/09/678122109.db2.gz IKEBRZGYQJSTCV-HZSPNIEDSA-N 1 1 313.398 -1.389 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001083034723 678122243 /nfs/dbraw/zinc/12/22/43/678122243.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)CCO3)[C@H]2C1 ZINC001083034723 678122244 /nfs/dbraw/zinc/12/22/44/678122244.db2.gz PGROFIRJZGFSRT-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)c1 ZINC001083050193 678122263 /nfs/dbraw/zinc/12/22/63/678122263.db2.gz BYRVBYQUHKXBEG-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)c1 ZINC001083050193 678122265 /nfs/dbraw/zinc/12/22/65/678122265.db2.gz BYRVBYQUHKXBEG-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083109640 678122619 /nfs/dbraw/zinc/12/26/19/678122619.db2.gz JNWZVYJMTLIDBB-RVMXOQNASA-N 1 1 300.355 -1.306 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083109640 678122620 /nfs/dbraw/zinc/12/26/20/678122620.db2.gz JNWZVYJMTLIDBB-RVMXOQNASA-N 1 1 300.355 -1.306 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)cn3)[C@H]2C1 ZINC001083109516 678122870 /nfs/dbraw/zinc/12/28/70/678122870.db2.gz CRABSIYPABZRSS-KGYLQXTDSA-N 1 1 322.365 -1.314 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083112169 678122987 /nfs/dbraw/zinc/12/29/87/678122987.db2.gz POAIUFNRUMIXGX-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO Cc1nnc(CC(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]32)[nH]1 ZINC001083078770 678123058 /nfs/dbraw/zinc/12/30/58/678123058.db2.gz TUERLQTZSMHVKO-ZMLRMANQSA-N 1 1 309.370 -1.052 20 0 DAADMO O=C(c1cn2c(n1)COCC2)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083120862 678123142 /nfs/dbraw/zinc/12/31/42/678123142.db2.gz IXWLGLCVBVHWJU-QWHCGFSZSA-N 1 1 322.365 -1.069 20 0 DAADMO O=C(c1cn2c(n1)COCC2)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083120862 678123145 /nfs/dbraw/zinc/12/31/45/678123145.db2.gz IXWLGLCVBVHWJU-QWHCGFSZSA-N 1 1 322.365 -1.069 20 0 DAADMO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083099886 678123497 /nfs/dbraw/zinc/12/34/97/678123497.db2.gz JOMBVEHZNVMDNK-NWDGAFQWSA-N 1 1 318.337 -1.130 20 0 DAADMO O=C(c1ccc2n[nH]nc2n1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083099886 678123498 /nfs/dbraw/zinc/12/34/98/678123498.db2.gz JOMBVEHZNVMDNK-NWDGAFQWSA-N 1 1 318.337 -1.130 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083104126 678123533 /nfs/dbraw/zinc/12/35/33/678123533.db2.gz SKEKVPIVBKWRMI-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083104126 678123535 /nfs/dbraw/zinc/12/35/35/678123535.db2.gz SKEKVPIVBKWRMI-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083087302 678123732 /nfs/dbraw/zinc/12/37/32/678123732.db2.gz BFBQEFYQQYFVIV-VHSXEESVSA-N 1 1 324.341 -2.719 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083087302 678123734 /nfs/dbraw/zinc/12/37/34/678123734.db2.gz BFBQEFYQQYFVIV-VHSXEESVSA-N 1 1 324.341 -2.719 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083108761 678123916 /nfs/dbraw/zinc/12/39/16/678123916.db2.gz OQJJBDPSCCUVHX-LPEHRKFASA-N 1 1 312.326 -2.512 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083108761 678123917 /nfs/dbraw/zinc/12/39/17/678123917.db2.gz OQJJBDPSCCUVHX-LPEHRKFASA-N 1 1 312.326 -2.512 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cn[nH]n4)[C@H]3C2)C1=O ZINC001083129221 678124058 /nfs/dbraw/zinc/12/40/58/678124058.db2.gz ZSMADZVRMMXJCQ-GRYCIOLGSA-N 1 1 320.353 -1.439 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cn[nH]n4)[C@H]3C2)C1=O ZINC001083129221 678124062 /nfs/dbraw/zinc/12/40/62/678124062.db2.gz ZSMADZVRMMXJCQ-GRYCIOLGSA-N 1 1 320.353 -1.439 20 0 DAADMO O=C([C@H]1CCNC(=O)CC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083153604 678124607 /nfs/dbraw/zinc/12/46/07/678124607.db2.gz IKYYODTZYDZERC-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C([C@H]1CCNC(=O)CC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083153604 678124609 /nfs/dbraw/zinc/12/46/09/678124609.db2.gz IKYYODTZYDZERC-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCNC(=O)C3)[C@H]2C1 ZINC001083162059 678124752 /nfs/dbraw/zinc/12/47/52/678124752.db2.gz HAQYXLRJHSSLTM-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001083162704 678124790 /nfs/dbraw/zinc/12/47/90/678124790.db2.gz DNBUNKZVNXTXJE-SDDRHHMPSA-N 1 1 312.370 -1.432 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001083162704 678124792 /nfs/dbraw/zinc/12/47/92/678124792.db2.gz DNBUNKZVNXTXJE-SDDRHHMPSA-N 1 1 312.370 -1.432 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)CN3CCNC(=O)C3)[C@H]2C1 ZINC001083162426 678124896 /nfs/dbraw/zinc/12/48/96/678124896.db2.gz UPQCTAYBAOLMPS-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083159518 678124961 /nfs/dbraw/zinc/12/49/61/678124961.db2.gz FXXOMTKAKSEEEP-OUAUKWLOSA-N 1 1 320.353 -1.473 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083159518 678124962 /nfs/dbraw/zinc/12/49/62/678124962.db2.gz FXXOMTKAKSEEEP-OUAUKWLOSA-N 1 1 320.353 -1.473 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cc1=O ZINC001083179244 678125260 /nfs/dbraw/zinc/12/52/60/678125260.db2.gz MISYRRLIPMTXIO-NWDGAFQWSA-N 1 1 320.349 -1.718 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cc1=O ZINC001083179244 678125262 /nfs/dbraw/zinc/12/52/62/678125262.db2.gz MISYRRLIPMTXIO-NWDGAFQWSA-N 1 1 320.349 -1.718 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001083181286 678125628 /nfs/dbraw/zinc/12/56/28/678125628.db2.gz YSCKDXNQSVUSPT-SDDRHHMPSA-N 1 1 324.381 -1.700 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083180946 678125732 /nfs/dbraw/zinc/12/57/32/678125732.db2.gz IAWQOLPTHFITLD-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083180946 678125734 /nfs/dbraw/zinc/12/57/34/678125734.db2.gz IAWQOLPTHFITLD-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083181028 678125816 /nfs/dbraw/zinc/12/58/16/678125816.db2.gz LQEQWSSZKWQKED-HRDYMLBCSA-N 1 1 310.310 -2.812 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083181028 678125819 /nfs/dbraw/zinc/12/58/19/678125819.db2.gz LQEQWSSZKWQKED-HRDYMLBCSA-N 1 1 310.310 -2.812 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001065207105 678126064 /nfs/dbraw/zinc/12/60/64/678126064.db2.gz PLTABLUORHCYGY-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001065328794 678127845 /nfs/dbraw/zinc/12/78/45/678127845.db2.gz YTFGRZCIWXIZJV-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065369351 678128505 /nfs/dbraw/zinc/12/85/05/678128505.db2.gz CVXORPISFVKRFR-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001065450478 678129688 /nfs/dbraw/zinc/12/96/88/678129688.db2.gz ZYAFROYVGPUNFC-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550746 678131584 /nfs/dbraw/zinc/13/15/84/678131584.db2.gz MRENDMDKBVBZIP-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550747 678131605 /nfs/dbraw/zinc/13/16/05/678131605.db2.gz MRENDMDKBVBZIP-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550748 678131709 /nfs/dbraw/zinc/13/17/09/678131709.db2.gz MRENDMDKBVBZIP-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551940 678131992 /nfs/dbraw/zinc/13/19/92/678131992.db2.gz DALNHUJPAAJLLE-SNVBAGLBSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065552886 678132569 /nfs/dbraw/zinc/13/25/69/678132569.db2.gz PXRMRPTUBASVNR-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1)C1CCC1 ZINC001065555661 678132868 /nfs/dbraw/zinc/13/28/68/678132868.db2.gz MOLWDKHDMKIGIC-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065614185 678134645 /nfs/dbraw/zinc/13/46/45/678134645.db2.gz LCAWCYHLZBIZDL-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(F)F)C2)C1 ZINC001041137391 678143343 /nfs/dbraw/zinc/14/33/43/678143343.db2.gz DHHGYGJODPARPI-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(F)F)C2)C1 ZINC001041137391 678143345 /nfs/dbraw/zinc/14/33/45/678143345.db2.gz DHHGYGJODPARPI-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041053105 678144752 /nfs/dbraw/zinc/14/47/52/678144752.db2.gz HBYVDUNFJMWPTR-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)O1 ZINC001041082565 678148241 /nfs/dbraw/zinc/14/82/41/678148241.db2.gz WNYOTHDKNGCYND-RKDXNWHRSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)O1 ZINC001041082565 678148243 /nfs/dbraw/zinc/14/82/43/678148243.db2.gz WNYOTHDKNGCYND-RKDXNWHRSA-N 1 1 321.324 -1.340 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001067046293 678148446 /nfs/dbraw/zinc/14/84/46/678148446.db2.gz WWSITWWPRSUZNG-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001067046293 678148447 /nfs/dbraw/zinc/14/84/47/678148447.db2.gz WWSITWWPRSUZNG-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001067046294 678148461 /nfs/dbraw/zinc/14/84/61/678148461.db2.gz WWSITWWPRSUZNG-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001067046294 678148462 /nfs/dbraw/zinc/14/84/62/678148462.db2.gz WWSITWWPRSUZNG-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001072068947 678152087 /nfs/dbraw/zinc/15/20/87/678152087.db2.gz DGJDKZOKSKLTAM-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001072068947 678152091 /nfs/dbraw/zinc/15/20/91/678152091.db2.gz DGJDKZOKSKLTAM-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 ZINC001072136074 678153423 /nfs/dbraw/zinc/15/34/23/678153423.db2.gz QSIPXLDAGICYNO-ONGXEEELSA-N 1 1 322.369 -1.177 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072162017 678153719 /nfs/dbraw/zinc/15/37/19/678153719.db2.gz UIVWMNIJXRFULU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072282353 678155347 /nfs/dbraw/zinc/15/53/47/678155347.db2.gz DNSVHAGVTHGONX-GHMZBOCLSA-N 1 1 313.402 -1.042 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)C3CC3)C2)C1)N1CCNC(=O)C1 ZINC001072376443 678156202 /nfs/dbraw/zinc/15/62/02/678156202.db2.gz SGCMWVBJNANOEG-UHFFFAOYSA-N 1 1 320.393 -1.111 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)C3CC3)C2)C1)N1CCNC(=O)C1 ZINC001072376443 678156203 /nfs/dbraw/zinc/15/62/03/678156203.db2.gz SGCMWVBJNANOEG-UHFFFAOYSA-N 1 1 320.393 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072401731 678156396 /nfs/dbraw/zinc/15/63/96/678156396.db2.gz QVFDZDUKIFXMCX-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072480684 678157393 /nfs/dbraw/zinc/15/73/93/678157393.db2.gz IBPWWVHSIMENJL-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072478536 678157458 /nfs/dbraw/zinc/15/74/58/678157458.db2.gz KSALKBSGBODVJU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C([C@H]1COCCO1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072491726 678157505 /nfs/dbraw/zinc/15/75/05/678157505.db2.gz DUFOFHGRWAQFKN-VXGBXAGGSA-N 1 1 309.366 -1.175 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCOCC1)C2 ZINC001072565326 678158556 /nfs/dbraw/zinc/15/85/56/678158556.db2.gz SZVTWWRZAITQBA-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001072565326 678158560 /nfs/dbraw/zinc/15/85/60/678158560.db2.gz SZVTWWRZAITQBA-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nccnc3N)C2)C1 ZINC001072562013 678158569 /nfs/dbraw/zinc/15/85/69/678158569.db2.gz BKSZIUDXVWASGA-UHFFFAOYSA-N 1 1 304.354 -1.047 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3nccnc3N)C2)C1 ZINC001072562013 678158572 /nfs/dbraw/zinc/15/85/72/678158572.db2.gz BKSZIUDXVWASGA-UHFFFAOYSA-N 1 1 304.354 -1.047 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072550034 678158730 /nfs/dbraw/zinc/15/87/30/678158730.db2.gz HJYIWTLYKAESTR-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072580737 678159200 /nfs/dbraw/zinc/15/92/00/678159200.db2.gz ISIBUORHCLPAQE-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072615683 678159694 /nfs/dbraw/zinc/15/96/94/678159694.db2.gz XRNFGBIHHDYHNR-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072642292 678161414 /nfs/dbraw/zinc/16/14/14/678161414.db2.gz DKRKEEIJWGCCOD-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072642405 678161565 /nfs/dbraw/zinc/16/15/65/678161565.db2.gz XWGPITDERKABEH-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnn(C)c3N)C2)C1 ZINC001072653692 678161992 /nfs/dbraw/zinc/16/19/92/678161992.db2.gz NYTKIKBRENKXEJ-UHFFFAOYSA-N 1 1 306.370 -1.104 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnn(C)c3N)C2)C1 ZINC001072653692 678161995 /nfs/dbraw/zinc/16/19/95/678161995.db2.gz NYTKIKBRENKXEJ-UHFFFAOYSA-N 1 1 306.370 -1.104 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072648220 678162081 /nfs/dbraw/zinc/16/20/81/678162081.db2.gz WDBCCDJHRYMYHW-JTQLQIEISA-N 1 1 320.353 -1.594 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072648221 678162089 /nfs/dbraw/zinc/16/20/89/678162089.db2.gz WDBCCDJHRYMYHW-SNVBAGLBSA-N 1 1 320.353 -1.594 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072686811 678162543 /nfs/dbraw/zinc/16/25/43/678162543.db2.gz XLXGCJWIYUVSSN-QWRGUYRKSA-N 1 1 322.365 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686458 678162606 /nfs/dbraw/zinc/16/26/06/678162606.db2.gz MSNWOLKFNGNMNY-SNVBAGLBSA-N 1 1 310.354 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686004 678162616 /nfs/dbraw/zinc/16/26/16/678162616.db2.gz AIVMSGDIKOEORS-NXEZZACHSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)nn1 ZINC001072695201 678162622 /nfs/dbraw/zinc/16/26/22/678162622.db2.gz PSUMHMZTWWVKRN-NSHDSACASA-N 1 1 304.354 -1.149 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072686307 678162646 /nfs/dbraw/zinc/16/26/46/678162646.db2.gz IXOAIZCBDGZIJO-ZJUUUORDSA-N 1 1 308.338 -1.482 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)n1 ZINC001072752460 678163424 /nfs/dbraw/zinc/16/34/24/678163424.db2.gz LEXINOHFKBUGIL-UHFFFAOYSA-N 1 1 308.342 -2.096 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC001072752682 678163596 /nfs/dbraw/zinc/16/35/96/678163596.db2.gz XBAMDIHHMGOASZ-SNVBAGLBSA-N 1 1 322.369 -1.708 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c1=O ZINC001072800475 678164314 /nfs/dbraw/zinc/16/43/14/678164314.db2.gz PLXQLZXTEGISSB-UHFFFAOYSA-N 1 1 322.365 -1.926 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CC1=O ZINC001072793903 678164349 /nfs/dbraw/zinc/16/43/49/678164349.db2.gz ACMOYHXLHZWBBG-NEPJUHHUSA-N 1 1 320.393 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001072808590 678164521 /nfs/dbraw/zinc/16/45/21/678164521.db2.gz IXTZFZFWRZCZAT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001072808590 678164524 /nfs/dbraw/zinc/16/45/24/678164524.db2.gz IXTZFZFWRZCZAT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001072808591 678164678 /nfs/dbraw/zinc/16/46/78/678164678.db2.gz IXTZFZFWRZCZAT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001072808591 678164679 /nfs/dbraw/zinc/16/46/79/678164679.db2.gz IXTZFZFWRZCZAT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072810100 678164691 /nfs/dbraw/zinc/16/46/91/678164691.db2.gz OWYKXBNMJGYDSB-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1=O ZINC001072836754 678164868 /nfs/dbraw/zinc/16/48/68/678164868.db2.gz OWZBUBQHOVNMNH-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1=O ZINC001072836754 678164870 /nfs/dbraw/zinc/16/48/70/678164870.db2.gz OWZBUBQHOVNMNH-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CC[C@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCNC1=O ZINC001072826301 678164932 /nfs/dbraw/zinc/16/49/32/678164932.db2.gz PTOQSTVJDTXPEI-HNNXBMFYSA-N 1 1 308.382 -1.078 20 0 DAADMO CC[C@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCNC1=O ZINC001072826301 678164934 /nfs/dbraw/zinc/16/49/34/678164934.db2.gz PTOQSTVJDTXPEI-HNNXBMFYSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001072810432 678164937 /nfs/dbraw/zinc/16/49/37/678164937.db2.gz ZHGCGNWTSGNDOY-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001072832042 678165005 /nfs/dbraw/zinc/16/50/05/678165005.db2.gz XZCHQRLDGJEQPZ-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001072832042 678165007 /nfs/dbraw/zinc/16/50/07/678165007.db2.gz XZCHQRLDGJEQPZ-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822550 678165179 /nfs/dbraw/zinc/16/51/79/678165179.db2.gz MZNGBAZYWGNZDP-QMMMGPOBSA-N 1 1 309.326 -2.396 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822550 678165180 /nfs/dbraw/zinc/16/51/80/678165180.db2.gz MZNGBAZYWGNZDP-QMMMGPOBSA-N 1 1 309.326 -2.396 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001072810434 678165211 /nfs/dbraw/zinc/16/52/11/678165211.db2.gz ZHGCGNWTSGNDOY-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884223 678165517 /nfs/dbraw/zinc/16/55/17/678165517.db2.gz OGRVLFKFPJKCMR-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884223 678165519 /nfs/dbraw/zinc/16/55/19/678165519.db2.gz OGRVLFKFPJKCMR-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884224 678165612 /nfs/dbraw/zinc/16/56/12/678165612.db2.gz OGRVLFKFPJKCMR-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884224 678165614 /nfs/dbraw/zinc/16/56/14/678165614.db2.gz OGRVLFKFPJKCMR-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001072886559 678165628 /nfs/dbraw/zinc/16/56/28/678165628.db2.gz WDUOATGLWWGGNT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001072886559 678165630 /nfs/dbraw/zinc/16/56/30/678165630.db2.gz WDUOATGLWWGGNT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881335 678165638 /nfs/dbraw/zinc/16/56/38/678165638.db2.gz OPVIHUPRGGWOEO-JTQLQIEISA-N 1 1 322.369 -2.010 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072874940 678165702 /nfs/dbraw/zinc/16/57/02/678165702.db2.gz IDHCHRACFRGDHN-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072923157 678166250 /nfs/dbraw/zinc/16/62/50/678166250.db2.gz QPMLURUHNDWZHY-UHFFFAOYSA-N 1 1 305.338 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072923157 678166251 /nfs/dbraw/zinc/16/62/51/678166251.db2.gz QPMLURUHNDWZHY-UHFFFAOYSA-N 1 1 305.338 -1.336 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072901181 678166267 /nfs/dbraw/zinc/16/62/67/678166267.db2.gz DMEUANYHBILPFQ-UHFFFAOYSA-N 1 1 322.365 -1.134 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 ZINC001072910225 678166294 /nfs/dbraw/zinc/16/62/94/678166294.db2.gz WIVVAZXDUXKEPY-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3C)C2)C1 ZINC001072910225 678166297 /nfs/dbraw/zinc/16/62/97/678166297.db2.gz WIVVAZXDUXKEPY-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001072929387 678166301 /nfs/dbraw/zinc/16/63/01/678166301.db2.gz HADRYWRUDAKTSS-NSHDSACASA-N 1 1 321.381 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001072929387 678166303 /nfs/dbraw/zinc/16/63/03/678166303.db2.gz HADRYWRUDAKTSS-NSHDSACASA-N 1 1 321.381 -1.519 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072924395 678166358 /nfs/dbraw/zinc/16/63/58/678166358.db2.gz AUSOFTQXWOUEON-LLVKDONJSA-N 1 1 317.349 -1.194 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072923131 678166366 /nfs/dbraw/zinc/16/63/66/678166366.db2.gz PCZKHQYOPUOOHA-VIFPVBQESA-N 1 1 305.338 -1.208 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CNC(=O)N4)C3)C2)C1=O ZINC001072931448 678166584 /nfs/dbraw/zinc/16/65/84/678166584.db2.gz GMXHEHCERCPPRE-MNOVXSKESA-N 1 1 321.381 -1.567 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072932134 678166605 /nfs/dbraw/zinc/16/66/05/678166605.db2.gz PEFRMHYFFNBHSG-MNOVXSKESA-N 1 1 323.397 -1.321 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072937509 678166668 /nfs/dbraw/zinc/16/66/68/678166668.db2.gz DLTUDIXDVKDBHU-JTQLQIEISA-N 1 1 304.354 -1.215 20 0 DAADMO Cn1ccc(C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)cc1=O ZINC001072934617 678166712 /nfs/dbraw/zinc/16/67/12/678166712.db2.gz MQNHMFPINQXSBS-UHFFFAOYSA-N 1 1 304.350 -1.095 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)n1 ZINC001072934674 678166715 /nfs/dbraw/zinc/16/67/15/678166715.db2.gz PKBMOYIJTLBNGE-UHFFFAOYSA-N 1 1 306.370 -1.085 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931813 678166749 /nfs/dbraw/zinc/16/67/49/678166749.db2.gz LCQJUHPDHAVKGJ-ZJUUUORDSA-N 1 1 309.370 -1.534 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931812 678166772 /nfs/dbraw/zinc/16/67/72/678166772.db2.gz LCQJUHPDHAVKGJ-VHSXEESVSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072932136 678166807 /nfs/dbraw/zinc/16/68/07/678166807.db2.gz PEFRMHYFFNBHSG-WDEREUQCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001072975909 678167141 /nfs/dbraw/zinc/16/71/41/678167141.db2.gz OSDVPRPCDPWVLO-IINYFYTJSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977110 678167199 /nfs/dbraw/zinc/16/71/99/678167199.db2.gz OBIRQBGVZLHTAB-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977110 678167200 /nfs/dbraw/zinc/16/72/00/678167200.db2.gz OBIRQBGVZLHTAB-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072985951 678167235 /nfs/dbraw/zinc/16/72/35/678167235.db2.gz FVBAZQHDSOCADQ-VWYCJHECSA-N 1 1 306.366 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001072975281 678167377 /nfs/dbraw/zinc/16/73/77/678167377.db2.gz DJRRLNSWVJJWES-AWEZNQCLSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001072975281 678167379 /nfs/dbraw/zinc/16/73/79/678167379.db2.gz DJRRLNSWVJJWES-AWEZNQCLSA-N 1 1 308.382 -1.207 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072985949 678167404 /nfs/dbraw/zinc/16/74/04/678167404.db2.gz FVBAZQHDSOCADQ-OUAUKWLOSA-N 1 1 306.366 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001072975282 678167423 /nfs/dbraw/zinc/16/74/23/678167423.db2.gz DJRRLNSWVJJWES-CQSZACIVSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001072975282 678167425 /nfs/dbraw/zinc/16/74/25/678167425.db2.gz DJRRLNSWVJJWES-CQSZACIVSA-N 1 1 308.382 -1.207 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1=O ZINC001073028264 678167665 /nfs/dbraw/zinc/16/76/65/678167665.db2.gz HEPFWTKFTIFYNO-UHFFFAOYSA-N 1 1 324.337 -2.066 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020321 678167674 /nfs/dbraw/zinc/16/76/74/678167674.db2.gz SZNVVXOUESYVHS-BDAKNGLRSA-N 1 1 323.353 -2.007 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)S1(=O)=O ZINC001073053244 678167756 /nfs/dbraw/zinc/16/77/56/678167756.db2.gz BCKZXCIFUXRRDQ-LLVKDONJSA-N 1 1 317.411 -1.453 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073052110 678167802 /nfs/dbraw/zinc/16/78/02/678167802.db2.gz DPGHESQSIANFEL-UHFFFAOYSA-N 1 1 322.365 -1.499 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020209 678167858 /nfs/dbraw/zinc/16/78/58/678167858.db2.gz OGVMDIZZERFEFL-VIFPVBQESA-N 1 1 323.353 -2.135 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020209 678167859 /nfs/dbraw/zinc/16/78/59/678167859.db2.gz OGVMDIZZERFEFL-VIFPVBQESA-N 1 1 323.353 -2.135 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057042 678167887 /nfs/dbraw/zinc/16/78/87/678167887.db2.gz FSVRFUYHEGCSEX-SNVBAGLBSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001073087723 678168203 /nfs/dbraw/zinc/16/82/03/678168203.db2.gz GIUVXDRSHVYQKJ-UHFFFAOYSA-N 1 1 319.365 -1.347 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cnccc3=O)C2)C1 ZINC001073087723 678168204 /nfs/dbraw/zinc/16/82/04/678168204.db2.gz GIUVXDRSHVYQKJ-UHFFFAOYSA-N 1 1 319.365 -1.347 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077227 678168296 /nfs/dbraw/zinc/16/82/96/678168296.db2.gz LWNGFEFRVYEWDE-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073075030 678168404 /nfs/dbraw/zinc/16/84/04/678168404.db2.gz LNDREQZZLCBSML-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073075030 678168407 /nfs/dbraw/zinc/16/84/07/678168407.db2.gz LNDREQZZLCBSML-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001073123526 678168663 /nfs/dbraw/zinc/16/86/63/678168663.db2.gz ZLJZRALVZDYIPF-LLVKDONJSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073112222 678168808 /nfs/dbraw/zinc/16/88/08/678168808.db2.gz RDKRTHRYPOXCIP-SNVBAGLBSA-N 1 1 304.354 -1.230 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001073116656 678168882 /nfs/dbraw/zinc/16/88/82/678168882.db2.gz YJUICWMIEOCERT-NSHDSACASA-N 1 1 323.397 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC001073116656 678168883 /nfs/dbraw/zinc/16/88/83/678168883.db2.gz YJUICWMIEOCERT-NSHDSACASA-N 1 1 323.397 -1.061 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073112221 678168904 /nfs/dbraw/zinc/16/89/04/678168904.db2.gz RDKRTHRYPOXCIP-JTQLQIEISA-N 1 1 304.354 -1.230 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1=O ZINC001073123210 678168940 /nfs/dbraw/zinc/16/89/40/678168940.db2.gz NQMJLQCNELMMBP-UHFFFAOYSA-N 1 1 323.353 -2.100 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1=O ZINC001073123210 678168942 /nfs/dbraw/zinc/16/89/42/678168942.db2.gz NQMJLQCNELMMBP-UHFFFAOYSA-N 1 1 323.353 -2.100 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@H+](C[C@H](C)O)C3)c(=O)n1C ZINC001073158467 678169318 /nfs/dbraw/zinc/16/93/18/678169318.db2.gz YQBXDWHKTXZAHM-NSHDSACASA-N 1 1 323.397 -1.195 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073412390 678170574 /nfs/dbraw/zinc/17/05/74/678170574.db2.gz OECBZAWDQJDEPE-SNVBAGLBSA-N 1 1 310.354 -1.499 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001073434011 678171185 /nfs/dbraw/zinc/17/11/85/678171185.db2.gz ZPBJQRODWJIYIG-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC001073434011 678171186 /nfs/dbraw/zinc/17/11/86/678171186.db2.gz ZPBJQRODWJIYIG-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439238 678171231 /nfs/dbraw/zinc/17/12/31/678171231.db2.gz QOUMSTFXACQYOQ-VIFPVBQESA-N 1 1 316.383 -2.302 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439238 678171233 /nfs/dbraw/zinc/17/12/33/678171233.db2.gz QOUMSTFXACQYOQ-VIFPVBQESA-N 1 1 316.383 -2.302 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439079 678171275 /nfs/dbraw/zinc/17/12/75/678171275.db2.gz JXSOFUIXSHBRGN-GHMZBOCLSA-N 1 1 317.411 -1.407 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001073416688 678171550 /nfs/dbraw/zinc/17/15/50/678171550.db2.gz VFARENCXXQOTAZ-UHFFFAOYSA-N 1 1 323.397 -1.203 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC001073416688 678171554 /nfs/dbraw/zinc/17/15/54/678171554.db2.gz VFARENCXXQOTAZ-UHFFFAOYSA-N 1 1 323.397 -1.203 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073439035 678171579 /nfs/dbraw/zinc/17/15/79/678171579.db2.gz IAWFCVLASCSXRE-SNVBAGLBSA-N 1 1 303.384 -1.795 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001073439696 678171612 /nfs/dbraw/zinc/17/16/12/678171612.db2.gz FFNNKADUIMMPFR-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC001073439696 678171615 /nfs/dbraw/zinc/17/16/15/678171615.db2.gz FFNNKADUIMMPFR-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c(=O)[nH]c1=O ZINC001073425434 678171707 /nfs/dbraw/zinc/17/17/07/678171707.db2.gz UIAUGRRRZZONIW-UHFFFAOYSA-N 1 1 308.338 -1.374 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073485969 678171997 /nfs/dbraw/zinc/17/19/97/678171997.db2.gz KLOBDOUEJGVZQW-JTQLQIEISA-N 1 1 309.370 -1.451 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073485969 678171999 /nfs/dbraw/zinc/17/19/99/678171999.db2.gz KLOBDOUEJGVZQW-JTQLQIEISA-N 1 1 309.370 -1.451 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC001073493973 678172070 /nfs/dbraw/zinc/17/20/70/678172070.db2.gz STPOZXYPXSACLF-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC001073493973 678172073 /nfs/dbraw/zinc/17/20/73/678172073.db2.gz STPOZXYPXSACLF-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001073467810 678172206 /nfs/dbraw/zinc/17/22/06/678172206.db2.gz JFWFMQBZTZWKHO-SNVBAGLBSA-N 1 1 321.381 -1.255 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073591125 678174422 /nfs/dbraw/zinc/17/44/22/678174422.db2.gz DVCWVLFKSJDCSC-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073591125 678174424 /nfs/dbraw/zinc/17/44/24/678174424.db2.gz DVCWVLFKSJDCSC-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073587408 678174459 /nfs/dbraw/zinc/17/44/59/678174459.db2.gz PUUCAFFFHYIXLO-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073587408 678174462 /nfs/dbraw/zinc/17/44/62/678174462.db2.gz PUUCAFFFHYIXLO-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073590061 678174492 /nfs/dbraw/zinc/17/44/92/678174492.db2.gz WROWSJLMETWPMP-MNOVXSKESA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073590061 678174495 /nfs/dbraw/zinc/17/44/95/678174495.db2.gz WROWSJLMETWPMP-MNOVXSKESA-N 1 1 322.369 -1.476 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001073589133 678174672 /nfs/dbraw/zinc/17/46/72/678174672.db2.gz KHXGCAOUIIKIMI-MNOVXSKESA-N 1 1 301.343 -1.052 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073591122 678174768 /nfs/dbraw/zinc/17/47/68/678174768.db2.gz DVCWVLFKSJDCSC-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073591122 678174770 /nfs/dbraw/zinc/17/47/70/678174770.db2.gz DVCWVLFKSJDCSC-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@H]1COC(=O)N1 ZINC001073590149 678174794 /nfs/dbraw/zinc/17/47/94/678174794.db2.gz YJBWEOIGTSHDBW-WDEREUQCSA-N 1 1 301.343 -1.316 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)nn1 ZINC001073591862 678175198 /nfs/dbraw/zinc/17/51/98/678175198.db2.gz RRQQSUSTGANGKO-JQWIXIFHSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)nn1 ZINC001073591862 678175202 /nfs/dbraw/zinc/17/52/02/678175202.db2.gz RRQQSUSTGANGKO-JQWIXIFHSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073593054 678175306 /nfs/dbraw/zinc/17/53/06/678175306.db2.gz FCMDBHNPWVIJTN-GHMZBOCLSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073593054 678175307 /nfs/dbraw/zinc/17/53/07/678175307.db2.gz FCMDBHNPWVIJTN-GHMZBOCLSA-N 1 1 322.369 -1.476 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073641967 678176128 /nfs/dbraw/zinc/17/61/28/678176128.db2.gz FATHSUQCHNLPDB-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654250 678176565 /nfs/dbraw/zinc/17/65/65/678176565.db2.gz COPSKUVFEWMXGY-NXEZZACHSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654250 678176567 /nfs/dbraw/zinc/17/65/67/678176567.db2.gz COPSKUVFEWMXGY-NXEZZACHSA-N 1 1 323.353 -1.123 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073665624 678177032 /nfs/dbraw/zinc/17/70/32/678177032.db2.gz ZOHVPWROXXQTDG-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073665627 678177451 /nfs/dbraw/zinc/17/74/51/678177451.db2.gz ZOHVPWROXXQTDG-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)NC1=O ZINC001073727080 678179181 /nfs/dbraw/zinc/17/91/81/678179181.db2.gz SJWQUEFYNSZKRH-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748040 678179204 /nfs/dbraw/zinc/17/92/04/678179204.db2.gz APVRZGSTVRLFOU-GHMZBOCLSA-N 1 1 310.354 -1.029 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)NC1=O ZINC001073726416 678179259 /nfs/dbraw/zinc/17/92/59/678179259.db2.gz LEDOGGWRYWUFLH-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748117 678179280 /nfs/dbraw/zinc/17/92/80/678179280.db2.gz BHCMGAHBRBJIFR-ZJUUUORDSA-N 1 1 323.353 -1.536 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748117 678179283 /nfs/dbraw/zinc/17/92/83/678179283.db2.gz BHCMGAHBRBJIFR-ZJUUUORDSA-N 1 1 323.353 -1.536 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748531 678179431 /nfs/dbraw/zinc/17/94/31/678179431.db2.gz GDSSHMVQBXBZGS-SNVBAGLBSA-N 1 1 323.353 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748531 678179433 /nfs/dbraw/zinc/17/94/33/678179433.db2.gz GDSSHMVQBXBZGS-SNVBAGLBSA-N 1 1 323.353 -1.663 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748043 678179464 /nfs/dbraw/zinc/17/94/64/678179464.db2.gz APVRZGSTVRLFOU-WDEREUQCSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748041 678179473 /nfs/dbraw/zinc/17/94/73/678179473.db2.gz APVRZGSTVRLFOU-MNOVXSKESA-N 1 1 310.354 -1.029 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001073797027 678179823 /nfs/dbraw/zinc/17/98/23/678179823.db2.gz TUUJWHKDLWLQKP-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073769422 678180042 /nfs/dbraw/zinc/18/00/42/678180042.db2.gz GZDIDTCOZPZUBW-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073772530 678180127 /nfs/dbraw/zinc/18/01/27/678180127.db2.gz QVOUZPYFMLNQOK-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073798374 678180356 /nfs/dbraw/zinc/18/03/56/678180356.db2.gz DSMSGKGXOWOCKB-ZJUUUORDSA-N 1 1 314.342 -2.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818260 678180602 /nfs/dbraw/zinc/18/06/02/678180602.db2.gz COCSLSMIMSRHNL-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818260 678180605 /nfs/dbraw/zinc/18/06/05/678180605.db2.gz COCSLSMIMSRHNL-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893352 678182763 /nfs/dbraw/zinc/18/27/63/678182763.db2.gz RJYSCYBHXMNAMA-QWRGUYRKSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880808 678182822 /nfs/dbraw/zinc/18/28/22/678182822.db2.gz UDHFLVUGAYKQAD-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)c[nH]1 ZINC001073891001 678182998 /nfs/dbraw/zinc/18/29/98/678182998.db2.gz KQEOJRCJWGJTMO-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893351 678183149 /nfs/dbraw/zinc/18/31/49/678183149.db2.gz RJYSCYBHXMNAMA-MNOVXSKESA-N 1 1 321.399 -2.123 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073899491 678183625 /nfs/dbraw/zinc/18/36/25/678183625.db2.gz VMZSFQFETQRDGK-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074160571 678186851 /nfs/dbraw/zinc/18/68/51/678186851.db2.gz UISCTGRZELZSIQ-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001074160571 678186853 /nfs/dbraw/zinc/18/68/53/678186853.db2.gz UISCTGRZELZSIQ-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242377 678189111 /nfs/dbraw/zinc/18/91/11/678189111.db2.gz WDIBLRILRXXLTI-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242377 678189114 /nfs/dbraw/zinc/18/91/14/678189114.db2.gz WDIBLRILRXXLTI-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001074314929 678191022 /nfs/dbraw/zinc/19/10/22/678191022.db2.gz NDUZZFRMCLWLSR-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001074314929 678191024 /nfs/dbraw/zinc/19/10/24/678191024.db2.gz NDUZZFRMCLWLSR-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400109 678194078 /nfs/dbraw/zinc/19/40/78/678194078.db2.gz OWJKKMHWFDMRAV-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001074400109 678194081 /nfs/dbraw/zinc/19/40/81/678194081.db2.gz OWJKKMHWFDMRAV-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1COCCO1 ZINC001074542697 678196871 /nfs/dbraw/zinc/19/68/71/678196871.db2.gz FBSUIAFOGVSYCX-GARJFASQSA-N 1 1 310.358 -1.296 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1COCCO1 ZINC001074542696 678196876 /nfs/dbraw/zinc/19/68/76/678196876.db2.gz FBSUIAFOGVSYCX-DCAQKATOSA-N 1 1 310.358 -1.296 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702101 678201893 /nfs/dbraw/zinc/20/18/93/678201893.db2.gz NLQNSPBBWOJIOZ-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C)c1nnnn1C ZINC001074806836 678204433 /nfs/dbraw/zinc/20/44/33/678204433.db2.gz ZGTFZVXUHBAUHE-CIUDSAMLSA-N 1 1 320.361 -1.313 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001074815067 678204685 /nfs/dbraw/zinc/20/46/85/678204685.db2.gz VRKAJIUVCGANLW-DCAQKATOSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798358 678204694 /nfs/dbraw/zinc/20/46/94/678204694.db2.gz IXEJGNBTTRZMHG-DCAQKATOSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074844760 678205632 /nfs/dbraw/zinc/20/56/32/678205632.db2.gz WZYVCMAXBAMASN-INTQDDNPSA-N 1 1 307.358 -1.425 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001075053566 678207952 /nfs/dbraw/zinc/20/79/52/678207952.db2.gz MJRFLNOVKDIZLD-GUBZILKMSA-N 1 1 307.358 -1.432 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)C1 ZINC001041122243 678215885 /nfs/dbraw/zinc/21/58/85/678215885.db2.gz UEWADQWQJFBQHC-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)C1 ZINC001041122243 678215888 /nfs/dbraw/zinc/21/58/88/678215888.db2.gz UEWADQWQJFBQHC-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019628997 678217088 /nfs/dbraw/zinc/21/70/88/678217088.db2.gz BKMCATMAHVLAKE-JTQLQIEISA-N 1 1 320.353 -1.313 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)CC1=O ZINC001020324742 678218074 /nfs/dbraw/zinc/21/80/74/678218074.db2.gz HGBQHFAMBYOWAY-XYPYZODXSA-N 1 1 322.369 -1.420 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ncccn3)C2)c1=O ZINC001020327363 678218126 /nfs/dbraw/zinc/21/81/26/678218126.db2.gz AHOFVKHJYBUBEL-XYPYZODXSA-N 1 1 317.353 -1.191 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001020305744 678218296 /nfs/dbraw/zinc/21/82/96/678218296.db2.gz OQQNAVKQRLYSRB-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)cc1=O ZINC001038362294 678219248 /nfs/dbraw/zinc/21/92/48/678219248.db2.gz BVGITBUXQIHDJB-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)cc1=O ZINC001038362294 678219250 /nfs/dbraw/zinc/21/92/50/678219250.db2.gz BVGITBUXQIHDJB-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)CC1=O ZINC001038313837 678219337 /nfs/dbraw/zinc/21/93/37/678219337.db2.gz YUYZNQUCSPBKGX-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)CC1=O ZINC001038313837 678219342 /nfs/dbraw/zinc/21/93/42/678219342.db2.gz YUYZNQUCSPBKGX-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)C1=O ZINC001038618908 678219779 /nfs/dbraw/zinc/21/97/79/678219779.db2.gz DYIBKKINWMUBQP-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)C1=O ZINC001038618908 678219782 /nfs/dbraw/zinc/21/97/82/678219782.db2.gz DYIBKKINWMUBQP-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)C1=O ZINC001038618905 678219796 /nfs/dbraw/zinc/21/97/96/678219796.db2.gz DYIBKKINWMUBQP-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)C1=O ZINC001038618905 678219798 /nfs/dbraw/zinc/21/97/98/678219798.db2.gz DYIBKKINWMUBQP-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001038935118 678220818 /nfs/dbraw/zinc/22/08/18/678220818.db2.gz FWYRHINQFUBOHE-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001038935118 678220823 /nfs/dbraw/zinc/22/08/23/678220823.db2.gz FWYRHINQFUBOHE-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053538 678221864 /nfs/dbraw/zinc/22/18/64/678221864.db2.gz UDGZQUJBAGWKSL-WDEREUQCSA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053538 678221868 /nfs/dbraw/zinc/22/18/68/678221868.db2.gz UDGZQUJBAGWKSL-WDEREUQCSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCOC2)nn1 ZINC001039049323 678221881 /nfs/dbraw/zinc/22/18/81/678221881.db2.gz FBXCXQBZUDEWCV-WDEREUQCSA-N 1 1 322.369 -1.396 20 0 DAADMO COCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039052790 678221939 /nfs/dbraw/zinc/22/19/39/678221939.db2.gz NKBKWZNLIODPRI-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039052790 678221940 /nfs/dbraw/zinc/22/19/40/678221940.db2.gz NKBKWZNLIODPRI-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001039415969 678222472 /nfs/dbraw/zinc/22/24/72/678222472.db2.gz DCNIUSBATJQZIA-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001039415969 678222475 /nfs/dbraw/zinc/22/24/75/678222475.db2.gz DCNIUSBATJQZIA-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)n(C)c1=O ZINC001039065569 678222481 /nfs/dbraw/zinc/22/24/81/678222481.db2.gz QHTXPACMMQKGJK-LLVKDONJSA-N 1 1 319.369 -1.180 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)n(C)c1=O ZINC001039065569 678222485 /nfs/dbraw/zinc/22/24/85/678222485.db2.gz QHTXPACMMQKGJK-LLVKDONJSA-N 1 1 319.369 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426476 678222786 /nfs/dbraw/zinc/22/27/86/678222786.db2.gz FDOWLKFQFYLWEN-VWYCJHECSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426476 678222789 /nfs/dbraw/zinc/22/27/89/678222789.db2.gz FDOWLKFQFYLWEN-VWYCJHECSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426376 678222871 /nfs/dbraw/zinc/22/28/71/678222871.db2.gz CVPOQGKSXOBUKO-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426376 678222875 /nfs/dbraw/zinc/22/28/75/678222875.db2.gz CVPOQGKSXOBUKO-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001039533347 678222991 /nfs/dbraw/zinc/22/29/91/678222991.db2.gz DUKVIYQFXJQNKD-TXEJJXNPSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001039533347 678222994 /nfs/dbraw/zinc/22/29/94/678222994.db2.gz DUKVIYQFXJQNKD-TXEJJXNPSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001039478127 678223000 /nfs/dbraw/zinc/22/30/00/678223000.db2.gz YZKAYZSLCGWODT-AXFHLTTASA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001039478127 678223005 /nfs/dbraw/zinc/22/30/05/678223005.db2.gz YZKAYZSLCGWODT-AXFHLTTASA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O ZINC001039478128 678223049 /nfs/dbraw/zinc/22/30/49/678223049.db2.gz YZKAYZSLCGWODT-MXWKQRLJSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O ZINC001039478128 678223051 /nfs/dbraw/zinc/22/30/51/678223051.db2.gz YZKAYZSLCGWODT-MXWKQRLJSA-N 1 1 322.365 -1.410 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039644983 678225953 /nfs/dbraw/zinc/22/59/53/678225953.db2.gz FYBJZGVGQUDLPT-BETUJISGSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039644983 678225954 /nfs/dbraw/zinc/22/59/54/678225954.db2.gz FYBJZGVGQUDLPT-BETUJISGSA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001039760045 678228463 /nfs/dbraw/zinc/22/84/63/678228463.db2.gz GKBQDCZXQKYQPS-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060902 678231818 /nfs/dbraw/zinc/23/18/18/678231818.db2.gz ZETCCPJCAGRMIT-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001040116868 678233205 /nfs/dbraw/zinc/23/32/05/678233205.db2.gz FTVGKKXZJPANOT-DZGCQCFKSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1)C1CCC1 ZINC001040145854 678233804 /nfs/dbraw/zinc/23/38/04/678233804.db2.gz ABWIFTRLFHWIKJ-AWEZNQCLSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040203722 678234049 /nfs/dbraw/zinc/23/40/49/678234049.db2.gz BGYUCJHVAMUQIR-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040203722 678234053 /nfs/dbraw/zinc/23/40/53/678234053.db2.gz BGYUCJHVAMUQIR-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001040170779 678234129 /nfs/dbraw/zinc/23/41/29/678234129.db2.gz QGFFUSIRCDKLOK-CQSZACIVSA-N 1 1 322.369 -1.217 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001040170779 678234133 /nfs/dbraw/zinc/23/41/33/678234133.db2.gz QGFFUSIRCDKLOK-CQSZACIVSA-N 1 1 322.369 -1.217 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001040188521 678234400 /nfs/dbraw/zinc/23/44/00/678234400.db2.gz SBMNLZPUXMWKKB-IINYFYTJSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001040188521 678234402 /nfs/dbraw/zinc/23/44/02/678234402.db2.gz SBMNLZPUXMWKKB-IINYFYTJSA-N 1 1 310.354 -1.105 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040248128 678235295 /nfs/dbraw/zinc/23/52/95/678235295.db2.gz NRRHNUCVNWDYCR-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040245797 678235430 /nfs/dbraw/zinc/23/54/30/678235430.db2.gz XPKQEAUQTPNMPG-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001040265802 678236725 /nfs/dbraw/zinc/23/67/25/678236725.db2.gz RYIAFRAEQFDEFR-RISCZKNCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267668 678237338 /nfs/dbraw/zinc/23/73/38/678237338.db2.gz CZGHEOKCEVRVTK-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040267668 678237339 /nfs/dbraw/zinc/23/73/39/678237339.db2.gz CZGHEOKCEVRVTK-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040267668 678237340 /nfs/dbraw/zinc/23/73/40/678237340.db2.gz CZGHEOKCEVRVTK-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001040329974 678238804 /nfs/dbraw/zinc/23/88/04/678238804.db2.gz YRHSBOZOIBQLLK-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001040329974 678238806 /nfs/dbraw/zinc/23/88/06/678238806.db2.gz YRHSBOZOIBQLLK-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO COCC(=O)N1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001040315885 678238995 /nfs/dbraw/zinc/23/89/95/678238995.db2.gz KXYOVZPJBYNHEU-CQSZACIVSA-N 1 1 310.354 -1.082 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040363705 678239565 /nfs/dbraw/zinc/23/95/65/678239565.db2.gz IDGYGXYFGKNDDP-QMTHXVAHSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040363705 678239567 /nfs/dbraw/zinc/23/95/67/678239567.db2.gz IDGYGXYFGKNDDP-QMTHXVAHSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001040363441 678239684 /nfs/dbraw/zinc/23/96/84/678239684.db2.gz HGUJHERHEYINPY-MEBBXXQBSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001040401849 678240542 /nfs/dbraw/zinc/24/05/42/678240542.db2.gz GCFPTEAFQPMWRN-JRPNMDOOSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001040401849 678240544 /nfs/dbraw/zinc/24/05/44/678240544.db2.gz GCFPTEAFQPMWRN-JRPNMDOOSA-N 1 1 308.382 -1.092 20 0 DAADMO CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001040429916 678240569 /nfs/dbraw/zinc/24/05/69/678240569.db2.gz KOKZSCYWNKOPFS-QFXNTCPOSA-N 1 1 323.393 -1.051 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040451923 678240980 /nfs/dbraw/zinc/24/09/80/678240980.db2.gz VWMVAVVQQZGKLG-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040447910 678241149 /nfs/dbraw/zinc/24/11/49/678241149.db2.gz UZMVLDPOCJIOKL-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040499246 678242729 /nfs/dbraw/zinc/24/27/29/678242729.db2.gz JFQIMXAIDLOVFA-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040550341 678244832 /nfs/dbraw/zinc/24/48/32/678244832.db2.gz JXSYTPQTGJVWLQ-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550341 678244833 /nfs/dbraw/zinc/24/48/33/678244833.db2.gz JXSYTPQTGJVWLQ-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550341 678244834 /nfs/dbraw/zinc/24/48/34/678244834.db2.gz JXSYTPQTGJVWLQ-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550341 678244835 /nfs/dbraw/zinc/24/48/35/678244835.db2.gz JXSYTPQTGJVWLQ-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550341 678244836 /nfs/dbraw/zinc/24/48/36/678244836.db2.gz JXSYTPQTGJVWLQ-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749079 678252904 /nfs/dbraw/zinc/25/29/04/678252904.db2.gz GJOIXIZNMGFPJA-ZANVPECISA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749079 678252911 /nfs/dbraw/zinc/25/29/11/678252911.db2.gz GJOIXIZNMGFPJA-ZANVPECISA-N 1 1 314.342 -3.118 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040752535 678254406 /nfs/dbraw/zinc/25/44/06/678254406.db2.gz LDVSHCLVCNWZBD-ZDUSSCGKSA-N 1 1 309.326 -2.244 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040756565 678255274 /nfs/dbraw/zinc/25/52/74/678255274.db2.gz WOPQSFZCWDJHPX-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040927841 678258288 /nfs/dbraw/zinc/25/82/88/678258288.db2.gz YWQLGRMKMUBNBL-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)nc(C)[nH+]1 ZINC001040938073 678258801 /nfs/dbraw/zinc/25/88/01/678258801.db2.gz KFVZYJMNWQIZPI-GHMZBOCLSA-N 1 1 318.341 -1.554 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001040952670 678259437 /nfs/dbraw/zinc/25/94/37/678259437.db2.gz YZQSMAOVWBFUDS-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001040952670 678259441 /nfs/dbraw/zinc/25/94/41/678259441.db2.gz YZQSMAOVWBFUDS-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001040973782 678260447 /nfs/dbraw/zinc/26/04/47/678260447.db2.gz YKULEUBNZNOZMG-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001040973782 678260449 /nfs/dbraw/zinc/26/04/49/678260449.db2.gz YKULEUBNZNOZMG-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001041036752 678261959 /nfs/dbraw/zinc/26/19/59/678261959.db2.gz SZTSRYJTONFCEW-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001041041444 678261992 /nfs/dbraw/zinc/26/19/92/678261992.db2.gz KKGWQELMNATUSF-LBPRGKRZSA-N 1 1 323.397 -1.087 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001041059912 678263150 /nfs/dbraw/zinc/26/31/50/678263150.db2.gz UUYPYYSNVYDYEQ-JHJVBQTASA-N 1 1 321.381 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001041059912 678263154 /nfs/dbraw/zinc/26/31/54/678263154.db2.gz UUYPYYSNVYDYEQ-JHJVBQTASA-N 1 1 321.381 -1.137 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001041075765 678263778 /nfs/dbraw/zinc/26/37/78/678263778.db2.gz ABLJTSNXMUULNV-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO O=C(NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)C1CC1 ZINC001041102698 678264749 /nfs/dbraw/zinc/26/47/49/678264749.db2.gz RJJBPTBSAAISTO-STQMWFEESA-N 1 1 323.393 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001041142669 678266078 /nfs/dbraw/zinc/26/60/78/678266078.db2.gz DIGQEJWDPZDBDV-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041151907 678266654 /nfs/dbraw/zinc/26/66/54/678266654.db2.gz HWLQAMILMLTZLR-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041151907 678266657 /nfs/dbraw/zinc/26/66/57/678266657.db2.gz HWLQAMILMLTZLR-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)COC)C2)C1 ZINC001041167134 678268317 /nfs/dbraw/zinc/26/83/17/678268317.db2.gz ZBWFPIPQZKIXQO-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)COC)C2)C1 ZINC001041167134 678268322 /nfs/dbraw/zinc/26/83/22/678268322.db2.gz ZBWFPIPQZKIXQO-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168114 678269151 /nfs/dbraw/zinc/26/91/51/678269151.db2.gz UGIMNFYCVBEXHD-WFASDCNBSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001041226969 678271911 /nfs/dbraw/zinc/27/19/11/678271911.db2.gz DEDXQIKENJAMEO-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001041237931 678271961 /nfs/dbraw/zinc/27/19/61/678271961.db2.gz CCCGLICCWLKPKG-HZMBPMFUSA-N 1 1 310.354 -1.235 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 ZINC001041216728 678272180 /nfs/dbraw/zinc/27/21/80/678272180.db2.gz VABSRIFDZFTCMJ-MRXNPFEDSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287214 678273887 /nfs/dbraw/zinc/27/38/87/678273887.db2.gz AGENDWCCKLEMSP-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001041289462 678274314 /nfs/dbraw/zinc/27/43/14/678274314.db2.gz IBIMJUFIWNTHLN-BXUZGUMPSA-N 1 1 319.369 -1.514 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041289872 678274663 /nfs/dbraw/zinc/27/46/63/678274663.db2.gz MJTLWOPGYWEJNE-CQSZACIVSA-N 1 1 321.385 -1.314 20 0 DAADMO CC(C)=CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041311949 678275850 /nfs/dbraw/zinc/27/58/50/678275850.db2.gz SZNIHEKUMWHBFD-LBPRGKRZSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)=CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041311949 678275851 /nfs/dbraw/zinc/27/58/51/678275851.db2.gz SZNIHEKUMWHBFD-LBPRGKRZSA-N 1 1 311.382 -1.027 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)nc(C)[nH+]1 ZINC001041314591 678276323 /nfs/dbraw/zinc/27/63/23/678276323.db2.gz FOBDXIHCCYZZEF-GMTAPVOTSA-N 1 1 320.353 -1.559 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001041349637 678279174 /nfs/dbraw/zinc/27/91/74/678279174.db2.gz JESAGNHVGBXYOP-RYUDHWBXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCO3)C2)C1 ZINC001041352370 678279702 /nfs/dbraw/zinc/27/97/02/678279702.db2.gz DTEPBBLXAKCNFF-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)C1 ZINC001041352371 678279711 /nfs/dbraw/zinc/27/97/11/678279711.db2.gz DTEPBBLXAKCNFF-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001041355449 678280355 /nfs/dbraw/zinc/28/03/55/678280355.db2.gz XHWGAHIUBFZYOT-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001041367671 678281035 /nfs/dbraw/zinc/28/10/35/678281035.db2.gz VCNCLFKKFYGBOC-SNVBAGLBSA-N 1 1 301.412 -1.009 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1=O ZINC001041369782 678281115 /nfs/dbraw/zinc/28/11/15/678281115.db2.gz CAHXHUWDVPEVLI-OAHLLOKOSA-N 1 1 319.365 -1.196 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387414 678283218 /nfs/dbraw/zinc/28/32/18/678283218.db2.gz IZJBRSVDFPXZSM-UHFFFAOYSA-N 1 1 315.374 -2.316 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001041410603 678285911 /nfs/dbraw/zinc/28/59/11/678285911.db2.gz PFKOUOFBDJJZTL-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)c1=O ZINC001041421898 678286504 /nfs/dbraw/zinc/28/65/04/678286504.db2.gz LFGJNZVQBBUSJT-HNNXBMFYSA-N 1 1 323.397 -1.111 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001041432167 678286998 /nfs/dbraw/zinc/28/69/98/678286998.db2.gz OSTSOTBBANPWRQ-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001041432166 678287264 /nfs/dbraw/zinc/28/72/64/678287264.db2.gz OSTSOTBBANPWRQ-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CNC(=O)C1 ZINC001041497142 678289629 /nfs/dbraw/zinc/28/96/29/678289629.db2.gz FVEMLZAZLNRIAB-HUUCEWRRSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540966 678290699 /nfs/dbraw/zinc/29/06/99/678290699.db2.gz RITLNJFCRGCISC-CJNGLKHVSA-N 1 1 324.425 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041565349 678291167 /nfs/dbraw/zinc/29/11/67/678291167.db2.gz WCCUAOIZQKTALO-ZDUSSCGKSA-N 1 1 307.358 -1.506 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001041543289 678291427 /nfs/dbraw/zinc/29/14/27/678291427.db2.gz HQPTYYFGVCONRZ-IINYFYTJSA-N 1 1 309.370 -1.580 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041563826 678291470 /nfs/dbraw/zinc/29/14/70/678291470.db2.gz LTVFCROJTRBMIM-ZANVPECISA-N 1 1 307.358 -1.378 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041574925 678291662 /nfs/dbraw/zinc/29/16/62/678291662.db2.gz YBXFYLWQJIPOAQ-IINYFYTJSA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041574921 678291687 /nfs/dbraw/zinc/29/16/87/678291687.db2.gz YBXFYLWQJIPOAQ-HZMBPMFUSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041609100 678294209 /nfs/dbraw/zinc/29/42/09/678294209.db2.gz QXNIOJIOSPZUSR-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041667260 678297424 /nfs/dbraw/zinc/29/74/24/678297424.db2.gz GBLABPUXLBFYHS-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041666848 678297493 /nfs/dbraw/zinc/29/74/93/678297493.db2.gz BBFKDNIKHAXKME-CMPLNLGQSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CCNC1=O ZINC001041673083 678297797 /nfs/dbraw/zinc/29/77/97/678297797.db2.gz TZDJZPKAXOEHSF-LSDHHAIUSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CCNC1=O ZINC001041673079 678297932 /nfs/dbraw/zinc/29/79/32/678297932.db2.gz TZDJZPKAXOEHSF-CABCVRRESA-N 1 1 308.382 -1.078 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041716802 678300337 /nfs/dbraw/zinc/30/03/37/678300337.db2.gz FKDSZJJJCMTOJA-HZMBPMFUSA-N 1 1 310.354 -1.499 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716808 678300559 /nfs/dbraw/zinc/30/05/59/678300559.db2.gz FPYCIJKGVCRNCJ-LKFCYVNXSA-N 1 1 323.353 -2.006 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041741053 678301159 /nfs/dbraw/zinc/30/11/59/678301159.db2.gz JBDBADJEJNHWMK-HNNXBMFYSA-N 1 1 309.366 -1.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041756564 678301699 /nfs/dbraw/zinc/30/16/99/678301699.db2.gz JIBZXCJISCJGGD-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001041823744 678304040 /nfs/dbraw/zinc/30/40/40/678304040.db2.gz OXFLRYZCSKFGAD-OAHLLOKOSA-N 1 1 322.365 -1.455 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041823919 678304653 /nfs/dbraw/zinc/30/46/53/678304653.db2.gz RCSLBFCQRQDNRX-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041860350 678305114 /nfs/dbraw/zinc/30/51/14/678305114.db2.gz CHIKYOCQHXBLBS-IAQYHMDHSA-N 1 1 309.366 -1.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041860777 678305360 /nfs/dbraw/zinc/30/53/60/678305360.db2.gz IBPJXLYTMDNHMH-ZUZCIYMTSA-N 1 1 322.365 -1.551 20 0 DAADMO CC(=O)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001041868190 678305394 /nfs/dbraw/zinc/30/53/94/678305394.db2.gz GOEPLTJWGMBKCN-OLZOCXBDSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001041868190 678305397 /nfs/dbraw/zinc/30/53/97/678305397.db2.gz GOEPLTJWGMBKCN-OLZOCXBDSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001041930134 678308091 /nfs/dbraw/zinc/30/80/91/678308091.db2.gz XYLGGPMBTWUWHJ-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001041930057 678308150 /nfs/dbraw/zinc/30/81/50/678308150.db2.gz WOQSRFRSQNHJHG-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001041930136 678308222 /nfs/dbraw/zinc/30/82/22/678308222.db2.gz XYLGGPMBTWUWHJ-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001041984082 678309164 /nfs/dbraw/zinc/30/91/64/678309164.db2.gz HAGOEBSUFOAZLM-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001041984081 678309217 /nfs/dbraw/zinc/30/92/17/678309217.db2.gz HAGOEBSUFOAZLM-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042018912 678310515 /nfs/dbraw/zinc/31/05/15/678310515.db2.gz BKJWIUDMGCSARX-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042018912 678310520 /nfs/dbraw/zinc/31/05/20/678310520.db2.gz BKJWIUDMGCSARX-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042022132 678310580 /nfs/dbraw/zinc/31/05/80/678310580.db2.gz VTLYQEPEAQFQAD-NXEZZACHSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042022132 678310583 /nfs/dbraw/zinc/31/05/83/678310583.db2.gz VTLYQEPEAQFQAD-NXEZZACHSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042018914 678310644 /nfs/dbraw/zinc/31/06/44/678310644.db2.gz BKJWIUDMGCSARX-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042018914 678310646 /nfs/dbraw/zinc/31/06/46/678310646.db2.gz BKJWIUDMGCSARX-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042022364 678310674 /nfs/dbraw/zinc/31/06/74/678310674.db2.gz XBENGFDYAOWEBV-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001042060831 678312605 /nfs/dbraw/zinc/31/26/05/678312605.db2.gz PWAZENRTBFGUHD-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001042060829 678312650 /nfs/dbraw/zinc/31/26/50/678312650.db2.gz PWAZENRTBFGUHD-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042064372 678312684 /nfs/dbraw/zinc/31/26/84/678312684.db2.gz SNVYINXEYZNZCI-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091501 678314473 /nfs/dbraw/zinc/31/44/73/678314473.db2.gz BJFWLYLGRKDWHS-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042091501 678314476 /nfs/dbraw/zinc/31/44/76/678314476.db2.gz BJFWLYLGRKDWHS-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 ZINC001042091691 678314542 /nfs/dbraw/zinc/31/45/42/678314542.db2.gz FEERMFQRRMVTRW-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001042091571 678314628 /nfs/dbraw/zinc/31/46/28/678314628.db2.gz CDOVSMNXHKUTQL-VIFPVBQESA-N 1 1 313.358 -2.562 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 ZINC001042091697 678314661 /nfs/dbraw/zinc/31/46/61/678314661.db2.gz FEERMFQRRMVTRW-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001042098009 678314903 /nfs/dbraw/zinc/31/49/03/678314903.db2.gz LTKYKKNJVFIKDI-VIFPVBQESA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001042098009 678314908 /nfs/dbraw/zinc/31/49/08/678314908.db2.gz LTKYKKNJVFIKDI-VIFPVBQESA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 ZINC001042098588 678315181 /nfs/dbraw/zinc/31/51/81/678315181.db2.gz TZNDGCPPOLBCTF-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 ZINC001042097485 678315332 /nfs/dbraw/zinc/31/53/32/678315332.db2.gz IDXSRCLRCIPCDF-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001042098367 678315375 /nfs/dbraw/zinc/31/53/75/678315375.db2.gz QQVSOUJXVDMDSV-WDEREUQCSA-N 1 1 324.381 -1.951 20 0 DAADMO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042097983 678315422 /nfs/dbraw/zinc/31/54/22/678315422.db2.gz LJKNCVCCWRLAAZ-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 ZINC001042093075 678315550 /nfs/dbraw/zinc/31/55/50/678315550.db2.gz SEXWHLLJAUZYLZ-NEPJUHHUSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 ZINC001042104179 678316158 /nfs/dbraw/zinc/31/61/58/678316158.db2.gz LYXLJTQJBOUIPG-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)c1=O ZINC001042121983 678316443 /nfs/dbraw/zinc/31/64/43/678316443.db2.gz KTSPZHJVVKOHAV-MNOVXSKESA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)c1=O ZINC001042121983 678316446 /nfs/dbraw/zinc/31/64/46/678316446.db2.gz KTSPZHJVVKOHAV-MNOVXSKESA-N 1 1 322.369 -2.010 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001042136433 678316986 /nfs/dbraw/zinc/31/69/86/678316986.db2.gz VHMKMBXYJHAELB-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001042136433 678316990 /nfs/dbraw/zinc/31/69/90/678316990.db2.gz VHMKMBXYJHAELB-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042141160 678317157 /nfs/dbraw/zinc/31/71/57/678317157.db2.gz DVVMIMXBKULSIE-RYUDHWBXSA-N 1 1 322.365 -1.136 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCCO)[C@@H]3C2)c1=O ZINC001042124028 678317189 /nfs/dbraw/zinc/31/71/89/678317189.db2.gz YAKADJGOEBXZHI-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCCO)[C@H]3C2)c1=O ZINC001042124029 678317201 /nfs/dbraw/zinc/31/72/01/678317201.db2.gz YAKADJGOEBXZHI-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042141163 678317272 /nfs/dbraw/zinc/31/72/72/678317272.db2.gz DVVMIMXBKULSIE-VXGBXAGGSA-N 1 1 322.365 -1.136 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001042212630 678318756 /nfs/dbraw/zinc/31/87/56/678318756.db2.gz HCZHEUSCKPQXAI-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001042212125 678318775 /nfs/dbraw/zinc/31/87/75/678318775.db2.gz ZSYRERACNSZQCW-QWRGUYRKSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001042212123 678318954 /nfs/dbraw/zinc/31/89/54/678318954.db2.gz ZSYRERACNSZQCW-GHMZBOCLSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042210712 678318981 /nfs/dbraw/zinc/31/89/81/678318981.db2.gz LYUDYVBJMQKTPE-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001042217317 678320248 /nfs/dbraw/zinc/32/02/48/678320248.db2.gz WQGJJOHQNUDFNE-AWEZNQCLSA-N 1 1 324.381 -1.963 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042216784 678320307 /nfs/dbraw/zinc/32/03/07/678320307.db2.gz KBGDJBMOOCRDGX-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223384 678321163 /nfs/dbraw/zinc/32/11/63/678321163.db2.gz MFPUAVMZPHRRLU-NXEZZACHSA-N 1 1 312.370 -2.251 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231699 678322272 /nfs/dbraw/zinc/32/22/72/678322272.db2.gz KDSFOCGJXGALBV-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231558 678322319 /nfs/dbraw/zinc/32/23/19/678322319.db2.gz IVPXAMABMPHNRZ-UHFFFAOYSA-N 1 1 300.359 -2.109 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042259348 678323122 /nfs/dbraw/zinc/32/31/22/678323122.db2.gz KYODZTYKUPBVDF-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042259366 678323237 /nfs/dbraw/zinc/32/32/37/678323237.db2.gz LDUKEERHXLOZAL-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042271896 678323939 /nfs/dbraw/zinc/32/39/39/678323939.db2.gz HQPALJKRVHYKJW-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042264957 678323958 /nfs/dbraw/zinc/32/39/58/678323958.db2.gz BTJZVSWBNUDMMR-GXSJLCMTSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042264957 678323960 /nfs/dbraw/zinc/32/39/60/678323960.db2.gz BTJZVSWBNUDMMR-GXSJLCMTSA-N 1 1 322.365 -1.553 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042294218 678324167 /nfs/dbraw/zinc/32/41/67/678324167.db2.gz BVAGZDKPJLWVMP-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042294218 678324171 /nfs/dbraw/zinc/32/41/71/678324171.db2.gz BVAGZDKPJLWVMP-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042294216 678324537 /nfs/dbraw/zinc/32/45/37/678324537.db2.gz BVAGZDKPJLWVMP-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042294216 678324539 /nfs/dbraw/zinc/32/45/39/678324539.db2.gz BVAGZDKPJLWVMP-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295151 678324543 /nfs/dbraw/zinc/32/45/43/678324543.db2.gz LUKMEUCCIPFDEX-JTQLQIEISA-N 1 1 301.343 -2.347 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295151 678324544 /nfs/dbraw/zinc/32/45/44/678324544.db2.gz LUKMEUCCIPFDEX-JTQLQIEISA-N 1 1 301.343 -2.347 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042302250 678324962 /nfs/dbraw/zinc/32/49/62/678324962.db2.gz RLFGRQJWXOCOJO-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1=O ZINC001042311110 678325027 /nfs/dbraw/zinc/32/50/27/678325027.db2.gz FYHQLMHCTBXUQJ-NEPJUHHUSA-N 1 1 324.381 -1.205 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)C1=O ZINC001042311111 678325206 /nfs/dbraw/zinc/32/52/06/678325206.db2.gz FYHQLMHCTBXUQJ-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001042296188 678325284 /nfs/dbraw/zinc/32/52/84/678325284.db2.gz XUFKNCMZMNBQBO-MRVPVSSYSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001042296188 678325289 /nfs/dbraw/zinc/32/52/89/678325289.db2.gz XUFKNCMZMNBQBO-MRVPVSSYSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001042300021 678325369 /nfs/dbraw/zinc/32/53/69/678325369.db2.gz MXNMJIAYVYCWCR-NWDGAFQWSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001042300021 678325373 /nfs/dbraw/zinc/32/53/73/678325373.db2.gz MXNMJIAYVYCWCR-NWDGAFQWSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CCCF)C2)C1 ZINC001042300500 678325382 /nfs/dbraw/zinc/32/53/82/678325382.db2.gz VSKKCNGDBAFWJD-NSHDSACASA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CCCF)C2)C1 ZINC001042300500 678325384 /nfs/dbraw/zinc/32/53/84/678325384.db2.gz VSKKCNGDBAFWJD-NSHDSACASA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)C1 ZINC001042295646 678325426 /nfs/dbraw/zinc/32/54/26/678325426.db2.gz RGBDLDDOIYYPLS-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)C1 ZINC001042295646 678325428 /nfs/dbraw/zinc/32/54/28/678325428.db2.gz RGBDLDDOIYYPLS-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042302251 678325579 /nfs/dbraw/zinc/32/55/79/678325579.db2.gz RLFGRQJWXOCOJO-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299773 678325592 /nfs/dbraw/zinc/32/55/92/678325592.db2.gz IAKYMTHXTPFQJI-SDDRHHMPSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299773 678325594 /nfs/dbraw/zinc/32/55/94/678325594.db2.gz IAKYMTHXTPFQJI-SDDRHHMPSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)ccc1=O ZINC001042343213 678326596 /nfs/dbraw/zinc/32/65/96/678326596.db2.gz YRPGGYDGPNGBBZ-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)ccc1=O ZINC001042343213 678326598 /nfs/dbraw/zinc/32/65/98/678326598.db2.gz YRPGGYDGPNGBBZ-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345015 678326601 /nfs/dbraw/zinc/32/66/01/678326601.db2.gz GNEGDXKAWJKIAH-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345015 678326606 /nfs/dbraw/zinc/32/66/06/678326606.db2.gz GNEGDXKAWJKIAH-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)ccc1=O ZINC001042343219 678326637 /nfs/dbraw/zinc/32/66/37/678326637.db2.gz YRPGGYDGPNGBBZ-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)ccc1=O ZINC001042343219 678326638 /nfs/dbraw/zinc/32/66/38/678326638.db2.gz YRPGGYDGPNGBBZ-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345698 678326705 /nfs/dbraw/zinc/32/67/05/678326705.db2.gz MNRNHVCMYMUVSF-MNOVXSKESA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345698 678326706 /nfs/dbraw/zinc/32/67/06/678326706.db2.gz MNRNHVCMYMUVSF-MNOVXSKESA-N 1 1 322.365 -1.457 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)ccc1=O ZINC001042343217 678326848 /nfs/dbraw/zinc/32/68/48/678326848.db2.gz YRPGGYDGPNGBBZ-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)ccc1=O ZINC001042343217 678326852 /nfs/dbraw/zinc/32/68/52/678326852.db2.gz YRPGGYDGPNGBBZ-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001042545303 678331661 /nfs/dbraw/zinc/33/16/61/678331661.db2.gz AXTSHWXWZBAYGB-LLVKDONJSA-N 1 1 308.386 -1.155 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001042550517 678331688 /nfs/dbraw/zinc/33/16/88/678331688.db2.gz JBFSOJIKYDTSCY-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nncn2C)C1 ZINC001042573807 678332823 /nfs/dbraw/zinc/33/28/23/678332823.db2.gz UUAKNKBSLMJKHZ-GFCCVEGCSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nncn2C)C1 ZINC001042573807 678332825 /nfs/dbraw/zinc/33/28/25/678332825.db2.gz UUAKNKBSLMJKHZ-GFCCVEGCSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCN(C)C2=O)C1 ZINC001042569916 678332829 /nfs/dbraw/zinc/33/28/29/678332829.db2.gz JPLZXANHLMYHSQ-STQMWFEESA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCN(C)C2=O)C1 ZINC001042569916 678332832 /nfs/dbraw/zinc/33/28/32/678332832.db2.gz JPLZXANHLMYHSQ-STQMWFEESA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCN(C)C2=O)C1 ZINC001042569914 678332848 /nfs/dbraw/zinc/33/28/48/678332848.db2.gz JPLZXANHLMYHSQ-OLZOCXBDSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCN(C)C2=O)C1 ZINC001042569914 678332849 /nfs/dbraw/zinc/33/28/49/678332849.db2.gz JPLZXANHLMYHSQ-OLZOCXBDSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cnnn2C)C1 ZINC001042573514 678332894 /nfs/dbraw/zinc/33/28/94/678332894.db2.gz KZRUICYWONLABX-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cnnn2C)C1 ZINC001042573514 678332897 /nfs/dbraw/zinc/33/28/97/678332897.db2.gz KZRUICYWONLABX-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001042573731 678332961 /nfs/dbraw/zinc/33/29/61/678332961.db2.gz RSDORASKTZHHCT-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001042573731 678332964 /nfs/dbraw/zinc/33/29/64/678332964.db2.gz RSDORASKTZHHCT-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCCNC2=O)C1 ZINC001042573548 678333031 /nfs/dbraw/zinc/33/30/31/678333031.db2.gz MCPCARVTJRJVGI-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCCNC2=O)C1 ZINC001042573548 678333035 /nfs/dbraw/zinc/33/30/35/678333035.db2.gz MCPCARVTJRJVGI-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC001042573820 678333601 /nfs/dbraw/zinc/33/36/01/678333601.db2.gz VDNWGXLGNYHGFG-NSHDSACASA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC001042573820 678333606 /nfs/dbraw/zinc/33/36/06/678333606.db2.gz VDNWGXLGNYHGFG-NSHDSACASA-N 1 1 309.374 -1.817 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cncnc3)C2)C1 ZINC001042709900 678339906 /nfs/dbraw/zinc/33/99/06/678339906.db2.gz KYWHXAZUNMWCMZ-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 ZINC001042727293 678341563 /nfs/dbraw/zinc/34/15/63/678341563.db2.gz FCARWYQZJYFXBS-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756361 678343458 /nfs/dbraw/zinc/34/34/58/678343458.db2.gz OUTFCWVFDLYWEX-AAEUAGOBSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[C@@H](C[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001042749776 678343752 /nfs/dbraw/zinc/34/37/52/678343752.db2.gz KGAFSRHRYVQDSG-NSHDSACASA-N 1 1 324.385 -1.055 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042847835 678348018 /nfs/dbraw/zinc/34/80/18/678348018.db2.gz IYADJIPXSIBDRZ-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042847521 678348151 /nfs/dbraw/zinc/34/81/51/678348151.db2.gz ZWSCZIZXMPMCRI-LLVKDONJSA-N 1 1 324.381 -1.276 20 0 DAADMO CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1C[NH+](CCCO)C1 ZINC001042851309 678348899 /nfs/dbraw/zinc/34/88/99/678348899.db2.gz IYASJWLPUFTVFP-UHFFFAOYSA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001042851116 678349132 /nfs/dbraw/zinc/34/91/32/678349132.db2.gz HHOYBKUEQKQXPU-SNVBAGLBSA-N 1 1 305.400 -1.455 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001042879203 678351757 /nfs/dbraw/zinc/35/17/57/678351757.db2.gz DLUOFNKDXFAMLU-CYBMUJFWSA-N 1 1 324.381 -1.102 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001042893674 678353018 /nfs/dbraw/zinc/35/30/18/678353018.db2.gz PLUCPPXBQJFMCQ-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042935855 678356218 /nfs/dbraw/zinc/35/62/18/678356218.db2.gz WKSLNDYNDKLMKC-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059012 678363580 /nfs/dbraw/zinc/36/35/80/678363580.db2.gz CBFKMPKQDFIVOZ-WDEREUQCSA-N 1 1 324.381 -1.964 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001043112949 678365057 /nfs/dbraw/zinc/36/50/57/678365057.db2.gz FMYJRLCAVFKZME-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001043114497 678365219 /nfs/dbraw/zinc/36/52/19/678365219.db2.gz XSTWQVZWYHPXSH-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001043114765 678365375 /nfs/dbraw/zinc/36/53/75/678365375.db2.gz AZJNTMLEYYNEBX-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)C1 ZINC001043112964 678365385 /nfs/dbraw/zinc/36/53/85/678365385.db2.gz FSRJFMGLTMTIOZ-VIFPVBQESA-N 1 1 313.358 -2.704 20 0 DAADMO COC[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114253 678365450 /nfs/dbraw/zinc/36/54/50/678365450.db2.gz VCEVCCISIKECGL-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3ncnn3)C2)C1 ZINC001043118484 678365785 /nfs/dbraw/zinc/36/57/85/678365785.db2.gz ZCANHGMYNGKJIW-SNVBAGLBSA-N 1 1 323.357 -2.686 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001043117599 678365806 /nfs/dbraw/zinc/36/58/06/678365806.db2.gz VXUREXBUJYNEPW-AXFHLTTASA-N 1 1 324.381 -2.251 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccncn3)C2)C1 ZINC001043115277 678365854 /nfs/dbraw/zinc/36/58/54/678365854.db2.gz GHZYNWKWHLRGCW-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)C1 ZINC001043114780 678365973 /nfs/dbraw/zinc/36/59/73/678365973.db2.gz BJHQUSBHNKWLHG-NSHDSACASA-N 1 1 322.369 -2.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3=CCOCC3)C2)C1 ZINC001043115329 678365989 /nfs/dbraw/zinc/36/59/89/678365989.db2.gz HCHWETVJNOJBET-CYBMUJFWSA-N 1 1 323.393 -1.026 20 0 DAADMO Cn1cncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118024 678366103 /nfs/dbraw/zinc/36/61/03/678366103.db2.gz DDNZEJZYBBQRMC-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cncnc3)C2)C1 ZINC001043117142 678366172 /nfs/dbraw/zinc/36/61/72/678366172.db2.gz UCIFJPWDLHEPKE-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118589 678366226 /nfs/dbraw/zinc/36/62/26/678366226.db2.gz ZZFYUYWOIOJSGT-VXGBXAGGSA-N 1 1 313.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccnnc3)C2)C1 ZINC001043119293 678366470 /nfs/dbraw/zinc/36/64/70/678366470.db2.gz YJMPMGIQLWBHBF-LBPRGKRZSA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001043121426 678366492 /nfs/dbraw/zinc/36/64/92/678366492.db2.gz ZDVLVPFVCVBIMP-WUHRBBMRSA-N 1 1 323.393 -1.480 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3cnoc3)C2)C1 ZINC001043119831 678366561 /nfs/dbraw/zinc/36/65/61/678366561.db2.gz DPADHQBYBMJRAV-LBPRGKRZSA-N 1 1 322.365 -1.142 20 0 DAADMO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043120082 678366615 /nfs/dbraw/zinc/36/66/15/678366615.db2.gz JPNWGNCQYIJJIU-VIFPVBQESA-N 1 1 323.357 -2.535 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001043121425 678366625 /nfs/dbraw/zinc/36/66/25/678366625.db2.gz ZDVLVPFVCVBIMP-NDBYEHHHSA-N 1 1 323.393 -1.480 20 0 DAADMO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001043119061 678366644 /nfs/dbraw/zinc/36/66/44/678366644.db2.gz TZWBHDKHUFWPIM-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043121398 678366653 /nfs/dbraw/zinc/36/66/53/678366653.db2.gz YESZHRLYMSPJCO-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043118834 678366760 /nfs/dbraw/zinc/36/67/60/678366760.db2.gz MFLCVCGVECWGRH-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 ZINC001043123883 678367183 /nfs/dbraw/zinc/36/71/83/678367183.db2.gz JQOWUFVVTWQVGB-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CN2CCCC2)C1 ZINC001043123883 678367186 /nfs/dbraw/zinc/36/71/86/678367186.db2.gz JQOWUFVVTWQVGB-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CN3CCCC3)C2)C1 ZINC001043126766 678367396 /nfs/dbraw/zinc/36/73/96/678367396.db2.gz CXBVTMHLWNIOAX-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CN3CCCC3)C2)C1 ZINC001043126766 678367401 /nfs/dbraw/zinc/36/74/01/678367401.db2.gz CXBVTMHLWNIOAX-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043133973 678367778 /nfs/dbraw/zinc/36/77/78/678367778.db2.gz XSZGCHUODAMFLV-UHFFFAOYSA-N 1 1 319.325 -1.687 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001043130104 678367792 /nfs/dbraw/zinc/36/77/92/678367792.db2.gz KWWQJRYWFFJYOO-UHFFFAOYSA-N 1 1 320.309 -1.422 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043212305 678372425 /nfs/dbraw/zinc/37/24/25/678372425.db2.gz REEKKBVWYGKCHM-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001043214015 678372572 /nfs/dbraw/zinc/37/25/72/678372572.db2.gz VEPWGDLYOAPWDO-LLVKDONJSA-N 1 1 322.369 -2.081 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235667 678373443 /nfs/dbraw/zinc/37/34/43/678373443.db2.gz YPJJYUOBLKAVMQ-MNOVXSKESA-N 1 1 324.381 -1.822 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)COC)C2)C1 ZINC001043284722 678374784 /nfs/dbraw/zinc/37/47/84/678374784.db2.gz AGWMHJQMRHDUDH-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)COC)C2)C1 ZINC001043284722 678374786 /nfs/dbraw/zinc/37/47/86/678374786.db2.gz AGWMHJQMRHDUDH-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CN(C(=O)CN1CCCCS1(=O)=O)C1C[NH+](CCCO)C1 ZINC001043361020 678376246 /nfs/dbraw/zinc/37/62/46/678376246.db2.gz HCEHXKNTCYZXQT-UHFFFAOYSA-N 1 1 319.427 -1.063 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001043431322 678379630 /nfs/dbraw/zinc/37/96/30/678379630.db2.gz QMXZVGSQTVXHEH-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 ZINC001043428703 678379876 /nfs/dbraw/zinc/37/98/76/678379876.db2.gz TVUDSSKJMSPBJR-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043426846 678379962 /nfs/dbraw/zinc/37/99/62/678379962.db2.gz DFJNCLIAFFRWPT-UHFFFAOYSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[C@H](C[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1)OC ZINC001043520386 678383890 /nfs/dbraw/zinc/38/38/90/678383890.db2.gz GGNOZKQLVMONKA-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[C@@H](C[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1)OC ZINC001043520389 678384054 /nfs/dbraw/zinc/38/40/54/678384054.db2.gz GGNOZKQLVMONKA-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1)C1CCC1 ZINC001043537810 678384885 /nfs/dbraw/zinc/38/48/85/678384885.db2.gz XEQFVQALYAGASE-UHFFFAOYSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043660852 678388509 /nfs/dbraw/zinc/38/85/09/678388509.db2.gz NRRRMCIZHZFJKY-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1nonc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043718780 678392118 /nfs/dbraw/zinc/39/21/18/678392118.db2.gz FYLHXZZOXWOJGU-JTQLQIEISA-N 1 1 323.353 -1.367 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043770727 678394109 /nfs/dbraw/zinc/39/41/09/678394109.db2.gz OHNPPDMGRDYDMW-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043805707 678395604 /nfs/dbraw/zinc/39/56/04/678395604.db2.gz FVRRISIMWQTMFS-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043805707 678395608 /nfs/dbraw/zinc/39/56/08/678395608.db2.gz FVRRISIMWQTMFS-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043805707 678395609 /nfs/dbraw/zinc/39/56/09/678395609.db2.gz FVRRISIMWQTMFS-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043806978 678395739 /nfs/dbraw/zinc/39/57/39/678395739.db2.gz NLQSQMNEUMXSSO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)C1CC1 ZINC001043813043 678398273 /nfs/dbraw/zinc/39/82/73/678398273.db2.gz NHLOAQPYPIYMEG-NSHDSACASA-N 1 1 322.369 -1.552 20 0 DAADMO Cn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043885538 678403691 /nfs/dbraw/zinc/40/36/91/678403691.db2.gz GCSRGWNBKHWIGR-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1(O)CN(C(=O)C2CC2)C1 ZINC001043891828 678404349 /nfs/dbraw/zinc/40/43/49/678404349.db2.gz OQKLAYXFKIPTQI-UHFFFAOYSA-N 1 1 311.382 -1.192 20 0 DAADMO Cc1ccc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001043900097 678404878 /nfs/dbraw/zinc/40/48/78/678404878.db2.gz YKULEUBNZNOZMG-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001043900097 678404882 /nfs/dbraw/zinc/40/48/82/678404882.db2.gz YKULEUBNZNOZMG-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043910591 678405409 /nfs/dbraw/zinc/40/54/09/678405409.db2.gz SKXSKDKBPWZGIC-UHFFFAOYSA-N 1 1 319.325 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043979941 678407727 /nfs/dbraw/zinc/40/77/27/678407727.db2.gz UUYPYYSNVYDYEQ-FRRDWIJNSA-N 1 1 321.381 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043979941 678407730 /nfs/dbraw/zinc/40/77/30/678407730.db2.gz UUYPYYSNVYDYEQ-FRRDWIJNSA-N 1 1 321.381 -1.137 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043995657 678408674 /nfs/dbraw/zinc/40/86/74/678408674.db2.gz GKHBGLASCKVOBL-SNVBAGLBSA-N 1 1 324.381 -1.125 20 0 DAADMO O=C(NCC1(O)CN(C(=O)c2ccn[nH]2)C1)C12CC[NH+](CC1)C2 ZINC001044023917 678409246 /nfs/dbraw/zinc/40/92/46/678409246.db2.gz VXBOGBOQUWZLLH-UHFFFAOYSA-N 1 1 319.365 -1.191 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044118423 678412794 /nfs/dbraw/zinc/41/27/94/678412794.db2.gz JGAMCOPRZHVLIN-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044118423 678412796 /nfs/dbraw/zinc/41/27/96/678412796.db2.gz JGAMCOPRZHVLIN-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001044208369 678415861 /nfs/dbraw/zinc/41/58/61/678415861.db2.gz OBGZTQWQHHONNN-OLZOCXBDSA-N 1 1 321.381 -1.335 20 0 DAADMO CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001044235327 678416124 /nfs/dbraw/zinc/41/61/24/678416124.db2.gz BLFMPBUNSWZKGS-LXVYMNJGSA-N 1 1 309.366 -1.441 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001044290967 678418800 /nfs/dbraw/zinc/41/88/00/678418800.db2.gz KEHCQHBLHHSKBP-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001044306891 678419414 /nfs/dbraw/zinc/41/94/14/678419414.db2.gz GSJARKLPNXAOSB-KOLCDFICSA-N 1 1 305.400 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)C1 ZINC001044320890 678419885 /nfs/dbraw/zinc/41/98/85/678419885.db2.gz QICXJZWXJZMATQ-ZDUSSCGKSA-N 1 1 312.414 -1.062 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)C1 ZINC001044320890 678419887 /nfs/dbraw/zinc/41/98/87/678419887.db2.gz QICXJZWXJZMATQ-ZDUSSCGKSA-N 1 1 312.414 -1.062 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)C1 ZINC001044321467 678420139 /nfs/dbraw/zinc/42/01/39/678420139.db2.gz ZJJNUDOTWRQBPO-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)C1 ZINC001044321467 678420141 /nfs/dbraw/zinc/42/01/41/678420141.db2.gz ZJJNUDOTWRQBPO-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044521661 678429573 /nfs/dbraw/zinc/42/95/73/678429573.db2.gz JXGSHKCKRWQJMO-KXNHARMFSA-N 1 1 319.365 -1.119 20 0 DAADMO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001044775937 678435425 /nfs/dbraw/zinc/43/54/25/678435425.db2.gz GPSZGJMEVHZRPB-JTQLQIEISA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001044775937 678435428 /nfs/dbraw/zinc/43/54/28/678435428.db2.gz GPSZGJMEVHZRPB-JTQLQIEISA-N 1 1 324.385 -1.306 20 0 DAADMO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001044776612 678435774 /nfs/dbraw/zinc/43/57/74/678435774.db2.gz NWYWOPZYNNEKSD-SECBINFHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[C@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001044776612 678435777 /nfs/dbraw/zinc/43/57/77/678435777.db2.gz NWYWOPZYNNEKSD-SECBINFHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)CC[N@H+]1C ZINC001044781506 678436593 /nfs/dbraw/zinc/43/65/93/678436593.db2.gz CVRODJYXQFYXOL-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)CC[N@@H+]1C ZINC001044781506 678436595 /nfs/dbraw/zinc/43/65/95/678436595.db2.gz CVRODJYXQFYXOL-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)CC[N@H+]1C ZINC001044781506 678436598 /nfs/dbraw/zinc/43/65/98/678436598.db2.gz CVRODJYXQFYXOL-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC[N@@H+]1C ZINC001044781506 678436600 /nfs/dbraw/zinc/43/66/00/678436600.db2.gz CVRODJYXQFYXOL-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC[N@H+]1C ZINC001044781506 678436602 /nfs/dbraw/zinc/43/66/02/678436602.db2.gz CVRODJYXQFYXOL-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044782136 678436854 /nfs/dbraw/zinc/43/68/54/678436854.db2.gz JZALRFQGAHNYNZ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044782136 678436855 /nfs/dbraw/zinc/43/68/55/678436855.db2.gz JZALRFQGAHNYNZ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044782136 678436860 /nfs/dbraw/zinc/43/68/60/678436860.db2.gz JZALRFQGAHNYNZ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044782136 678436863 /nfs/dbraw/zinc/43/68/63/678436863.db2.gz JZALRFQGAHNYNZ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044782136 678436869 /nfs/dbraw/zinc/43/68/69/678436869.db2.gz JZALRFQGAHNYNZ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1)c1nnnn1C ZINC001044915197 678439703 /nfs/dbraw/zinc/43/97/03/678439703.db2.gz MVYRCUYGROFSSX-ZJUUUORDSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001044948025 678442068 /nfs/dbraw/zinc/44/20/68/678442068.db2.gz AWTOJDTXCRTYLI-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CS(C)(=O)=O)n1 ZINC001044948221 678442163 /nfs/dbraw/zinc/44/21/63/678442163.db2.gz GLRFDPSAVNGGNT-NSHDSACASA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)c1N ZINC001045004462 678443327 /nfs/dbraw/zinc/44/33/27/678443327.db2.gz PMDIJATWWTYMDL-VIFPVBQESA-N 1 1 319.373 -1.080 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)nn1 ZINC001045023177 678444329 /nfs/dbraw/zinc/44/43/29/678444329.db2.gz AOAWXRDHFRIPMJ-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cnnn1C ZINC001045018726 678444419 /nfs/dbraw/zinc/44/44/19/678444419.db2.gz WKJCGSFWLYLSHA-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001045037624 678444627 /nfs/dbraw/zinc/44/46/27/678444627.db2.gz OLKGMRAWOOYJGL-VIFPVBQESA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001045037325 678444918 /nfs/dbraw/zinc/44/49/18/678444918.db2.gz LJIOAPZJRVGFNG-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(C)CNC(=O)C1 ZINC001045131467 678446371 /nfs/dbraw/zinc/44/63/71/678446371.db2.gz KJVSYEKPCRWQGK-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001045150123 678447028 /nfs/dbraw/zinc/44/70/28/678447028.db2.gz CFIYLQURLLHAFQ-QWRGUYRKSA-N 1 1 321.385 -1.081 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2C)NC1=O ZINC001045151173 678447043 /nfs/dbraw/zinc/44/70/43/678447043.db2.gz PENMMKGUTRSQTA-WDEREUQCSA-N 1 1 321.385 -1.081 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)NC1=O ZINC001045150056 678447274 /nfs/dbraw/zinc/44/72/74/678447274.db2.gz AQSCBAGSYMVXKB-VHSXEESVSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1nnn(C)n1)c1nnnn1C ZINC001045159091 678447600 /nfs/dbraw/zinc/44/76/00/678447600.db2.gz JZSMXDCTAHEOIG-IUCAKERBSA-N 1 1 320.361 -1.311 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1nnn(C)n1)c1nnnn1C ZINC001045159090 678447627 /nfs/dbraw/zinc/44/76/27/678447627.db2.gz JZSMXDCTAHEOIG-BDAKNGLRSA-N 1 1 320.361 -1.311 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)C1=O ZINC001045162790 678447701 /nfs/dbraw/zinc/44/77/01/678447701.db2.gz RXCITZUTPDYOPS-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001045175957 678448108 /nfs/dbraw/zinc/44/81/08/678448108.db2.gz QYKVTQFQVSMKSV-DTWKUNHWSA-N 1 1 308.346 -2.028 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001045176137 678448385 /nfs/dbraw/zinc/44/83/85/678448385.db2.gz YPBVUHUXJYEWPG-UWVGGRQHSA-N 1 1 307.358 -1.125 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045192713 678449750 /nfs/dbraw/zinc/44/97/50/678449750.db2.gz ASXDYFOBJOFAAF-VIFPVBQESA-N 1 1 309.326 -1.676 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045193331 678450383 /nfs/dbraw/zinc/45/03/83/678450383.db2.gz ZXMJFFFHTHNLAZ-JTQLQIEISA-N 1 1 323.353 -1.286 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(C)CCNC1=O ZINC001045197629 678450398 /nfs/dbraw/zinc/45/03/98/678450398.db2.gz BNBGAEWZCOIGBW-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001045204470 678450716 /nfs/dbraw/zinc/45/07/16/678450716.db2.gz OVIOIJNRHIHXAF-AEJSXWLSSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001045251423 678452420 /nfs/dbraw/zinc/45/24/20/678452420.db2.gz RYZGQEAGBQSELW-JTQLQIEISA-N 1 1 320.361 -1.633 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001045251476 678452623 /nfs/dbraw/zinc/45/26/23/678452623.db2.gz VEVMFPYYHQFDBC-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC001045413712 678456148 /nfs/dbraw/zinc/45/61/48/678456148.db2.gz XFYVOKHGRHEZLH-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO Cn1cnc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)cc1=O ZINC001045466462 678458942 /nfs/dbraw/zinc/45/89/42/678458942.db2.gz LJDUBSKJBMJTGV-UHFFFAOYSA-N 1 1 307.354 -1.150 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045493082 678459456 /nfs/dbraw/zinc/45/94/56/678459456.db2.gz BPLKVXKKPFAZOL-SNVBAGLBSA-N 1 1 324.381 -2.107 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045513041 678463304 /nfs/dbraw/zinc/46/33/04/678463304.db2.gz ASKPQEHXPJRTLP-UHFFFAOYSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045514240 678464128 /nfs/dbraw/zinc/46/41/28/678464128.db2.gz YCGZITGVYYJJDY-UHFFFAOYSA-N 1 1 300.359 -2.109 20 0 DAADMO Cn1nnc(C(=O)NC2(C)CC[NH+]([C@H]3CCNC3=O)CC2)n1 ZINC001045526329 678465244 /nfs/dbraw/zinc/46/52/44/678465244.db2.gz BDQJMHYKOLLIQJ-VIFPVBQESA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001045542664 678465765 /nfs/dbraw/zinc/46/57/65/678465765.db2.gz RMSBICACYUEIIC-LLVKDONJSA-N 1 1 321.385 -1.033 20 0 DAADMO CC1(NC(=O)[C@H]2CNC(=O)N2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045542911 678465912 /nfs/dbraw/zinc/46/59/12/678465912.db2.gz YGNVJBHFIMNUDM-LLVKDONJSA-N 1 1 323.397 -1.083 20 0 DAADMO CC1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[NH+](CC(N)=O)CC1 ZINC001045575865 678467855 /nfs/dbraw/zinc/46/78/55/678467855.db2.gz UFJOYVPYMOVCCI-QMMMGPOBSA-N 1 1 311.342 -1.960 20 0 DAADMO CC1(NC(=O)c2cn(CC(N)=O)nn2)CC[NH+](CC(N)=O)CC1 ZINC001045646029 678468841 /nfs/dbraw/zinc/46/88/41/678468841.db2.gz WHYOXEUUTUXPKY-UHFFFAOYSA-N 1 1 323.357 -2.167 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001045742098 678470302 /nfs/dbraw/zinc/47/03/02/678470302.db2.gz RTMPCKONWRLAQM-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001045742098 678470307 /nfs/dbraw/zinc/47/03/07/678470307.db2.gz RTMPCKONWRLAQM-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001045738016 678470486 /nfs/dbraw/zinc/47/04/86/678470486.db2.gz ATOQBWWMTJRRGZ-OUAUKWLOSA-N 1 1 322.365 -1.268 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001045838247 678471562 /nfs/dbraw/zinc/47/15/62/678471562.db2.gz PBTOSSFCMGQJDW-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001045838247 678471563 /nfs/dbraw/zinc/47/15/63/678471563.db2.gz PBTOSSFCMGQJDW-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045865000 678471576 /nfs/dbraw/zinc/47/15/76/678471576.db2.gz MDPGXDYGCFOOAK-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900171085 678471700 /nfs/dbraw/zinc/47/17/00/678471700.db2.gz GQPUFTZCIFPCBQ-WFASDCNBSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900171085 678471701 /nfs/dbraw/zinc/47/17/01/678471701.db2.gz GQPUFTZCIFPCBQ-WFASDCNBSA-N 1 1 312.414 -1.326 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002210 678472024 /nfs/dbraw/zinc/47/20/24/678472024.db2.gz SMSJEUGSZIZJHZ-CYBMUJFWSA-N 1 1 323.401 -1.462 20 0 DAADMO O=C(CCn1cncn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046002147 678472061 /nfs/dbraw/zinc/47/20/61/678472061.db2.gz JUKNDXCRILDTSE-CQSZACIVSA-N 1 1 322.413 -1.121 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046002943 678472164 /nfs/dbraw/zinc/47/21/64/678472164.db2.gz AIEGUTGUVRTLOE-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046002943 678472167 /nfs/dbraw/zinc/47/21/67/678472167.db2.gz AIEGUTGUVRTLOE-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO CC(=O)N1CCN([C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001045993576 678472296 /nfs/dbraw/zinc/47/22/96/678472296.db2.gz XKKLQCADHZTXDS-CYBMUJFWSA-N 1 1 323.397 -1.223 20 0 DAADMO O=C(CN1CCCC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046001021 678472401 /nfs/dbraw/zinc/47/24/01/678472401.db2.gz CHOXZFRHWHFYKR-AWEZNQCLSA-N 1 1 324.425 -1.180 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cnnn1)C2 ZINC001045912490 678472495 /nfs/dbraw/zinc/47/24/95/678472495.db2.gz FURGYBSKKPVTOH-AWEZNQCLSA-N 1 1 321.385 -1.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008455 678472935 /nfs/dbraw/zinc/47/29/35/678472935.db2.gz VJCDZCWACPXNIR-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046009029 678473000 /nfs/dbraw/zinc/47/30/00/678473000.db2.gz KITWNCXLRASPGT-GFCCVEGCSA-N 1 1 320.397 -1.012 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001046009029 678473006 /nfs/dbraw/zinc/47/30/06/678473006.db2.gz KITWNCXLRASPGT-GFCCVEGCSA-N 1 1 320.397 -1.012 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001046009029 678473007 /nfs/dbraw/zinc/47/30/07/678473007.db2.gz KITWNCXLRASPGT-GFCCVEGCSA-N 1 1 320.397 -1.012 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046023537 678473025 /nfs/dbraw/zinc/47/30/25/678473025.db2.gz PARWHBYIIDNIJE-LBPRGKRZSA-N 1 1 324.385 -1.806 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046012871 678473053 /nfs/dbraw/zinc/47/30/53/678473053.db2.gz QQYMVLDNRBJYFY-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046020500 678473122 /nfs/dbraw/zinc/47/31/22/678473122.db2.gz SMXHUMZXNXRPIH-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)c1 ZINC001046019336 678473145 /nfs/dbraw/zinc/47/31/45/678473145.db2.gz CLLQYPLWEYRRDI-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC001046019336 678473146 /nfs/dbraw/zinc/47/31/46/678473146.db2.gz CLLQYPLWEYRRDI-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012309 678473149 /nfs/dbraw/zinc/47/31/49/678473149.db2.gz NHODVMHSEXYTGO-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001046012309 678473150 /nfs/dbraw/zinc/47/31/50/678473150.db2.gz NHODVMHSEXYTGO-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008456 678473152 /nfs/dbraw/zinc/47/31/52/678473152.db2.gz VJCDZCWACPXNIR-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CCc1nnc[nH]1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046017398 678473182 /nfs/dbraw/zinc/47/31/82/678473182.db2.gz LWTBIXMIASOSCJ-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046017398 678473184 /nfs/dbraw/zinc/47/31/84/678473184.db2.gz LWTBIXMIASOSCJ-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046017398 678473186 /nfs/dbraw/zinc/47/31/86/678473186.db2.gz LWTBIXMIASOSCJ-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO Cn1oc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)cc1=O ZINC001046023869 678473282 /nfs/dbraw/zinc/47/32/82/678473282.db2.gz YPOCOPZPITUCTC-LBPRGKRZSA-N 1 1 324.381 -1.197 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046020502 678473289 /nfs/dbraw/zinc/47/32/89/678473289.db2.gz SMXHUMZXNXRPIH-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3)CC2)C1 ZINC001046024152 678473293 /nfs/dbraw/zinc/47/32/93/678473293.db2.gz GLNRYUOTGPVBFQ-CYBMUJFWSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cncnc3)CC2)C1 ZINC001046024152 678473297 /nfs/dbraw/zinc/47/32/97/678473297.db2.gz GLNRYUOTGPVBFQ-CYBMUJFWSA-N 1 1 318.381 -1.206 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046012870 678473330 /nfs/dbraw/zinc/47/33/30/678473330.db2.gz QQYMVLDNRBJYFY-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024015 678473363 /nfs/dbraw/zinc/47/33/63/678473363.db2.gz BRLCOFRSNHFGOW-NWDGAFQWSA-N 1 1 312.370 -1.694 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046008757 678473483 /nfs/dbraw/zinc/47/34/83/678473483.db2.gz ZKCJXGLBKQEDLN-CYBMUJFWSA-N 1 1 320.397 -1.012 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046030649 678473794 /nfs/dbraw/zinc/47/37/94/678473794.db2.gz WZGGMHAAHASEGU-LBPRGKRZSA-N 1 1 311.365 -1.139 20 0 DAADMO CC(C)(O)CC(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046026730 678473815 /nfs/dbraw/zinc/47/38/15/678473815.db2.gz HGYGWNPVVGJOBZ-LBPRGKRZSA-N 1 1 312.414 -1.149 20 0 DAADMO CC(C)(O)CC(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046026730 678473819 /nfs/dbraw/zinc/47/38/19/678473819.db2.gz HGYGWNPVVGJOBZ-LBPRGKRZSA-N 1 1 312.414 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034525 678473827 /nfs/dbraw/zinc/47/38/27/678473827.db2.gz UBCTYKJAGFDJMC-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034525 678473831 /nfs/dbraw/zinc/47/38/31/678473831.db2.gz UBCTYKJAGFDJMC-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO O=C(Cn1nccn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046034304 678473847 /nfs/dbraw/zinc/47/38/47/678473847.db2.gz RWJLKNWVKKRXKM-ZDUSSCGKSA-N 1 1 308.386 -1.511 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046033062 678473868 /nfs/dbraw/zinc/47/38/68/678473868.db2.gz QHVNMIDTWDUPCO-XEZPLFJOSA-N 1 1 322.409 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046033062 678473873 /nfs/dbraw/zinc/47/38/73/678473873.db2.gz QHVNMIDTWDUPCO-XEZPLFJOSA-N 1 1 322.409 -1.273 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046030503 678474080 /nfs/dbraw/zinc/47/40/80/678474080.db2.gz SSRLPXZKWLVYLA-ZDUSSCGKSA-N 1 1 323.401 -1.726 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025584 678474097 /nfs/dbraw/zinc/47/40/97/678474097.db2.gz IMEVVBVFUHILDF-NSHDSACASA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025584 678474099 /nfs/dbraw/zinc/47/40/99/678474099.db2.gz IMEVVBVFUHILDF-NSHDSACASA-N 1 1 306.370 -1.273 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030319 678474147 /nfs/dbraw/zinc/47/41/47/678474147.db2.gz OGYYRLRLUCSJDF-STQMWFEESA-N 1 1 323.401 -1.728 20 0 DAADMO O=C(Cn1nccn1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046034093 678474186 /nfs/dbraw/zinc/47/41/86/678474186.db2.gz PAGDFKNFQSOMNI-AWEZNQCLSA-N 1 1 322.413 -1.121 20 0 DAADMO CN1C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1=O ZINC001046033190 678474214 /nfs/dbraw/zinc/47/42/14/678474214.db2.gz AHLLENIUUHVHPM-KGLIPLIRSA-N 1 1 324.425 -1.325 20 0 DAADMO O=C(Cn1nccn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046034303 678474265 /nfs/dbraw/zinc/47/42/65/678474265.db2.gz RWJLKNWVKKRXKM-CYBMUJFWSA-N 1 1 308.386 -1.511 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049116 678474606 /nfs/dbraw/zinc/47/46/06/678474606.db2.gz JWZIYZOOBYFUGD-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046049485 678474655 /nfs/dbraw/zinc/47/46/55/678474655.db2.gz QAEWBWGNSQYCOG-STQMWFEESA-N 1 1 310.398 -1.667 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046049483 678474677 /nfs/dbraw/zinc/47/46/77/678474677.db2.gz QAEWBWGNSQYCOG-OLZOCXBDSA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046043184 678474823 /nfs/dbraw/zinc/47/48/23/678474823.db2.gz XTYAJJZTTGDCON-SNVBAGLBSA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046043184 678474828 /nfs/dbraw/zinc/47/48/28/678474828.db2.gz XTYAJJZTTGDCON-SNVBAGLBSA-N 1 1 307.358 -1.878 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042880 678474860 /nfs/dbraw/zinc/47/48/60/678474860.db2.gz PDILDLAMQPGIRH-GHMZBOCLSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042880 678474863 /nfs/dbraw/zinc/47/48/63/678474863.db2.gz PDILDLAMQPGIRH-GHMZBOCLSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CNC(=O)C1 ZINC001046047853 678475100 /nfs/dbraw/zinc/47/51/00/678475100.db2.gz ZMQWESMCZBEKBC-CJNGLKHVSA-N 1 1 324.425 -1.277 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057515 678475488 /nfs/dbraw/zinc/47/54/88/678475488.db2.gz PCSMVZOBCCKUSD-WDEREUQCSA-N 1 1 311.386 -2.046 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057513 678475537 /nfs/dbraw/zinc/47/55/37/678475537.db2.gz PCSMVZOBCCKUSD-MNOVXSKESA-N 1 1 311.386 -2.046 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046056660 678475680 /nfs/dbraw/zinc/47/56/80/678475680.db2.gz HIIONPATMSRDGB-GFCCVEGCSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046056630 678475924 /nfs/dbraw/zinc/47/59/24/678475924.db2.gz GXKANOGKTDCMRF-WDEREUQCSA-N 1 1 309.370 -2.421 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058739 678476266 /nfs/dbraw/zinc/47/62/66/678476266.db2.gz RYGGSCUCBGAITL-GFCCVEGCSA-N 1 1 320.397 -1.376 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)[nH]c1=O ZINC001046061446 678476418 /nfs/dbraw/zinc/47/64/18/678476418.db2.gz MAAXMOGMGBPSPM-GFCCVEGCSA-N 1 1 323.397 -1.050 20 0 DAADMO CN1CC(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)=NC1=O ZINC001046061446 678476422 /nfs/dbraw/zinc/47/64/22/678476422.db2.gz MAAXMOGMGBPSPM-GFCCVEGCSA-N 1 1 323.397 -1.050 20 0 DAADMO CN1CC(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)=NC1=O ZINC001046061446 678476423 /nfs/dbraw/zinc/47/64/23/678476423.db2.gz MAAXMOGMGBPSPM-GFCCVEGCSA-N 1 1 323.397 -1.050 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058494 678476478 /nfs/dbraw/zinc/47/64/78/678476478.db2.gz LNSGCVVSTAVMQP-OLZOCXBDSA-N 1 1 324.425 -1.149 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046079570 678477018 /nfs/dbraw/zinc/47/70/18/678477018.db2.gz VMCFXVMGLMNAER-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046079570 678477021 /nfs/dbraw/zinc/47/70/21/678477021.db2.gz VMCFXVMGLMNAER-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046079570 678477023 /nfs/dbraw/zinc/47/70/23/678477023.db2.gz VMCFXVMGLMNAER-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC001046070186 678477052 /nfs/dbraw/zinc/47/70/52/678477052.db2.gz MWYUDRYNFPIVLM-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046064071 678477107 /nfs/dbraw/zinc/47/71/07/678477107.db2.gz DVJHXKZTLVWSQQ-XQQFMLRXSA-N 1 1 310.398 -1.681 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078642 678477190 /nfs/dbraw/zinc/47/71/90/678477190.db2.gz NHODVMHSEXYTGO-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001046078642 678477193 /nfs/dbraw/zinc/47/71/93/678477193.db2.gz NHODVMHSEXYTGO-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC001046071337 678477343 /nfs/dbraw/zinc/47/73/43/678477343.db2.gz HOCKALDLGJAGKE-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079203 678477540 /nfs/dbraw/zinc/47/75/40/678477540.db2.gz QTAFGFQAMVKUMU-QWHCGFSZSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079203 678477544 /nfs/dbraw/zinc/47/75/44/678477544.db2.gz QTAFGFQAMVKUMU-QWHCGFSZSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079203 678477548 /nfs/dbraw/zinc/47/75/48/678477548.db2.gz QTAFGFQAMVKUMU-QWHCGFSZSA-N 1 1 322.413 -1.054 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046069234 678477592 /nfs/dbraw/zinc/47/75/92/678477592.db2.gz DSLAMTYJNQAZBC-KBPBESRZSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046076914 678477616 /nfs/dbraw/zinc/47/76/16/678477616.db2.gz JCYPQZWSFKXQIS-NSHDSACASA-N 1 1 321.385 -1.949 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046076914 678477620 /nfs/dbraw/zinc/47/76/20/678477620.db2.gz JCYPQZWSFKXQIS-NSHDSACASA-N 1 1 321.385 -1.949 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncccn3)CC2)C1 ZINC001046072407 678477628 /nfs/dbraw/zinc/47/76/28/678477628.db2.gz DDWWXUANULQMOV-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncccn3)CC2)C1 ZINC001046072407 678477632 /nfs/dbraw/zinc/47/76/32/678477632.db2.gz DDWWXUANULQMOV-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001046083511 678477922 /nfs/dbraw/zinc/47/79/22/678477922.db2.gz SBJZYEAIRKLURD-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO Cn1ccc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046084282 678477963 /nfs/dbraw/zinc/47/79/63/678477963.db2.gz OVSZQKAPUDYNKS-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1ccc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046084282 678477967 /nfs/dbraw/zinc/47/79/67/678477967.db2.gz OVSZQKAPUDYNKS-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046247754 678479756 /nfs/dbraw/zinc/47/97/56/678479756.db2.gz INRLKEZJOHCGJX-DOMZBBRYSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046247754 678479760 /nfs/dbraw/zinc/47/97/60/678479760.db2.gz INRLKEZJOHCGJX-DOMZBBRYSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046289533 678480362 /nfs/dbraw/zinc/48/03/62/678480362.db2.gz XIFVECBMMKOJME-QMTHXVAHSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046289533 678480365 /nfs/dbraw/zinc/48/03/65/678480365.db2.gz XIFVECBMMKOJME-QMTHXVAHSA-N 1 1 310.354 -1.092 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001046271425 678480507 /nfs/dbraw/zinc/48/05/07/678480507.db2.gz LFCBZKQQBLGMKB-SWLSCSKDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001046271425 678480509 /nfs/dbraw/zinc/48/05/09/678480509.db2.gz LFCBZKQQBLGMKB-SWLSCSKDSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046285737 678480589 /nfs/dbraw/zinc/48/05/89/678480589.db2.gz ALSUITZXNOOHIE-YGRLFVJLSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046285737 678480591 /nfs/dbraw/zinc/48/05/91/678480591.db2.gz ALSUITZXNOOHIE-YGRLFVJLSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000900807164 678483040 /nfs/dbraw/zinc/48/30/40/678483040.db2.gz BETMSJOTWGDRPE-BRZCCTTDSA-N 1 1 317.455 -1.036 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000900807164 678483042 /nfs/dbraw/zinc/48/30/42/678483042.db2.gz BETMSJOTWGDRPE-BRZCCTTDSA-N 1 1 317.455 -1.036 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046505723 678483408 /nfs/dbraw/zinc/48/34/08/678483408.db2.gz KQPRCMPSUXRROK-HZMBPMFUSA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046505723 678483413 /nfs/dbraw/zinc/48/34/13/678483413.db2.gz KQPRCMPSUXRROK-HZMBPMFUSA-N 1 1 320.353 -1.569 20 0 DAADMO CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046507176 678483503 /nfs/dbraw/zinc/48/35/03/678483503.db2.gz HPNLJLOMQPCGHJ-JOYOIKCWSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046507176 678483507 /nfs/dbraw/zinc/48/35/07/678483507.db2.gz HPNLJLOMQPCGHJ-JOYOIKCWSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500333 678483648 /nfs/dbraw/zinc/48/36/48/678483648.db2.gz ZJAQOYYBOHJQFD-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500333 678483650 /nfs/dbraw/zinc/48/36/50/678483650.db2.gz ZJAQOYYBOHJQFD-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@@H+](CCO)C1 ZINC001046505336 678483710 /nfs/dbraw/zinc/48/37/10/678483710.db2.gz GJIBEMJKNYNXIR-SMDDNHRTSA-N 1 1 307.354 -1.062 20 0 DAADMO CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046503325 678483739 /nfs/dbraw/zinc/48/37/39/678483739.db2.gz SFIUCXIYYYPNBQ-GWCFXTLKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 ZINC001046536495 678484031 /nfs/dbraw/zinc/48/40/31/678484031.db2.gz WPZZDPGBTACQPL-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001046530998 678484178 /nfs/dbraw/zinc/48/41/78/678484178.db2.gz GEFPXWLZSGPXTQ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046539441 678484487 /nfs/dbraw/zinc/48/44/87/678484487.db2.gz QALHLUJKQFLWFR-SMDDNHRTSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001046544765 678484825 /nfs/dbraw/zinc/48/48/25/678484825.db2.gz SJVXJBNHBAFFMI-RNCFNFMXSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001046544765 678484827 /nfs/dbraw/zinc/48/48/27/678484827.db2.gz SJVXJBNHBAFFMI-RNCFNFMXSA-N 1 1 307.358 -1.317 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001046544239 678485019 /nfs/dbraw/zinc/48/50/19/678485019.db2.gz VIXDMHPXWRPWQE-RISCZKNCSA-N 1 1 321.385 -1.118 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001046544240 678485254 /nfs/dbraw/zinc/48/52/54/678485254.db2.gz VIXDMHPXWRPWQE-SMDDNHRTSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549123 678485473 /nfs/dbraw/zinc/48/54/73/678485473.db2.gz YDXQDNLSSJZABV-AMIZOPFISA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549123 678485475 /nfs/dbraw/zinc/48/54/75/678485475.db2.gz YDXQDNLSSJZABV-AMIZOPFISA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001046548077 678485585 /nfs/dbraw/zinc/48/55/85/678485585.db2.gz MHEXENSHBFFPPC-ZDUSSCGKSA-N 1 1 322.373 -1.571 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001046548626 678485764 /nfs/dbraw/zinc/48/57/64/678485764.db2.gz RVROAGQGSGJRGY-GFCCVEGCSA-N 1 1 305.346 -1.304 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)CC2 ZINC001046575940 678486112 /nfs/dbraw/zinc/48/61/12/678486112.db2.gz YELPIHPNNSHGOW-MEBBXXQBSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)CC2 ZINC001046575940 678486113 /nfs/dbraw/zinc/48/61/13/678486113.db2.gz YELPIHPNNSHGOW-MEBBXXQBSA-N 1 1 320.397 -1.014 20 0 DAADMO C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001046580340 678486137 /nfs/dbraw/zinc/48/61/37/678486137.db2.gz SUYXYCUBXFMUHV-IINYFYTJSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001046580340 678486139 /nfs/dbraw/zinc/48/61/39/678486139.db2.gz SUYXYCUBXFMUHV-IINYFYTJSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046585260 678486292 /nfs/dbraw/zinc/48/62/92/678486292.db2.gz FYKPTDVZTYFATD-GWCFXTLKSA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046683568 678488165 /nfs/dbraw/zinc/48/81/65/678488165.db2.gz CJWWDPBMPOXIQS-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670077 678488203 /nfs/dbraw/zinc/48/82/03/678488203.db2.gz KHLXOSGKVKCAEJ-BONVTDFDSA-N 1 1 324.381 -1.341 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001046689115 678488745 /nfs/dbraw/zinc/48/87/45/678488745.db2.gz HKQIPRUSVVLIQD-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685197 678488843 /nfs/dbraw/zinc/48/88/43/678488843.db2.gz QBWMHQKTFUWQIV-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695913 678488851 /nfs/dbraw/zinc/48/88/51/678488851.db2.gz RRDGLKIIYJGAKJ-VFZGTOFNSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695913 678488852 /nfs/dbraw/zinc/48/88/52/678488852.db2.gz RRDGLKIIYJGAKJ-VFZGTOFNSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695247 678488868 /nfs/dbraw/zinc/48/88/68/678488868.db2.gz KMAIBPHQYZTFDW-RTHLEPHNSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695247 678488870 /nfs/dbraw/zinc/48/88/70/678488870.db2.gz KMAIBPHQYZTFDW-RTHLEPHNSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@H+](CC(N)=O)C1 ZINC001046697121 678489046 /nfs/dbraw/zinc/48/90/46/678489046.db2.gz ATRMJMHHSVOYJR-KQZUMFKRSA-N 1 1 323.353 -1.960 20 0 DAADMO C[C@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CC(N)=O)C1 ZINC001046697121 678489047 /nfs/dbraw/zinc/48/90/47/678489047.db2.gz ATRMJMHHSVOYJR-KQZUMFKRSA-N 1 1 323.353 -1.960 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685201 678489085 /nfs/dbraw/zinc/48/90/85/678489085.db2.gz QBWMHQKTFUWQIV-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO Cn1ncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703430 678489359 /nfs/dbraw/zinc/48/93/59/678489359.db2.gz SGSYAYYDWCTFQZ-HZMBPMFUSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703430 678489365 /nfs/dbraw/zinc/48/93/65/678489365.db2.gz SGSYAYYDWCTFQZ-HZMBPMFUSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703431 678489629 /nfs/dbraw/zinc/48/96/29/678489629.db2.gz SGSYAYYDWCTFQZ-IINYFYTJSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703431 678489631 /nfs/dbraw/zinc/48/96/31/678489631.db2.gz SGSYAYYDWCTFQZ-IINYFYTJSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@@H+](CCCO)C1 ZINC001046768644 678491003 /nfs/dbraw/zinc/49/10/03/678491003.db2.gz CBMQROMAJNMVAQ-AWEZNQCLSA-N 1 1 320.353 -1.006 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000901085707 678492054 /nfs/dbraw/zinc/49/20/54/678492054.db2.gz XFRDHEPNKVFICI-UHFFFAOYSA-N 1 1 306.370 -1.500 20 0 DAADMO C[C@]1(NC(=O)C2CCN(C(N)=O)CC2)CC[N@H+](CC(N)=O)C1 ZINC001046822921 678492518 /nfs/dbraw/zinc/49/25/18/678492518.db2.gz FVDPZOGMBLEAQK-AWEZNQCLSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@]1(NC(=O)C2CCN(C(N)=O)CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046822921 678492520 /nfs/dbraw/zinc/49/25/20/678492520.db2.gz FVDPZOGMBLEAQK-AWEZNQCLSA-N 1 1 311.386 -1.157 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854302 678492554 /nfs/dbraw/zinc/49/25/54/678492554.db2.gz NCRDVUFHHWROPD-QMTHXVAHSA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)nn1 ZINC001046854200 678492572 /nfs/dbraw/zinc/49/25/72/678492572.db2.gz LWHIHCPTGNBHFV-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854467 678492587 /nfs/dbraw/zinc/49/25/87/678492587.db2.gz PQSYGJZNLCSLGR-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046865784 678493073 /nfs/dbraw/zinc/49/30/73/678493073.db2.gz CWVLYOMTGCDHGQ-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859193 678493172 /nfs/dbraw/zinc/49/31/72/678493172.db2.gz LPNMDHHWTPBTMV-MEBBXXQBSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859193 678493174 /nfs/dbraw/zinc/49/31/74/678493174.db2.gz LPNMDHHWTPBTMV-MEBBXXQBSA-N 1 1 321.381 -1.194 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859003 678493439 /nfs/dbraw/zinc/49/34/39/678493439.db2.gz IIVLXYJETLRFEV-OTYXRUKQSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859003 678493440 /nfs/dbraw/zinc/49/34/40/678493440.db2.gz IIVLXYJETLRFEV-OTYXRUKQSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904272 678496642 /nfs/dbraw/zinc/49/66/42/678496642.db2.gz DFCGIWMETRSJCO-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046905821 678497145 /nfs/dbraw/zinc/49/71/45/678497145.db2.gz ZGCNHGUPJPWXOC-UHFFFAOYSA-N 1 1 322.369 -1.868 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001046905618 678497313 /nfs/dbraw/zinc/49/73/13/678497313.db2.gz ULLBPXRYIQKEQK-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3nnc[nH]3)C2)C1 ZINC001046905618 678497317 /nfs/dbraw/zinc/49/73/17/678497317.db2.gz ULLBPXRYIQKEQK-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3nnc[nH]3)C2)C1 ZINC001046905618 678497319 /nfs/dbraw/zinc/49/73/19/678497319.db2.gz ULLBPXRYIQKEQK-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)C1CS(=O)(=O)C1 ZINC001047077969 678498841 /nfs/dbraw/zinc/49/88/41/678498841.db2.gz SGWKVSTZFBWGHT-WCQGTBRESA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047105133 678499257 /nfs/dbraw/zinc/49/92/57/678499257.db2.gz HVTCAQCYAVKYEQ-SRVKXCTJSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047088343 678499324 /nfs/dbraw/zinc/49/93/24/678499324.db2.gz AQFBHKCEAUJJLW-AVGNSLFASA-N 1 1 311.382 -1.193 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1=O ZINC001047097817 678499472 /nfs/dbraw/zinc/49/94/72/678499472.db2.gz BPZKNDODRFTUDB-IHRRRGAJSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047123132 678499941 /nfs/dbraw/zinc/49/99/41/678499941.db2.gz QFYIGRAOXRULLC-IHRRRGAJSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCNC1=O)C2 ZINC001047137728 678500339 /nfs/dbraw/zinc/50/03/39/678500339.db2.gz MMHFJCRRBKMKTB-AXFHLTTASA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCNC1=O)C2 ZINC001047137729 678500446 /nfs/dbraw/zinc/50/04/46/678500446.db2.gz MMHFJCRRBKMKTB-DCAQKATOSA-N 1 1 309.370 -1.534 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047179940 678501868 /nfs/dbraw/zinc/50/18/68/678501868.db2.gz IGTSEMDYXKWLIY-SRVKXCTJSA-N 1 1 324.381 -1.110 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)C1=O ZINC001047198005 678502498 /nfs/dbraw/zinc/50/24/98/678502498.db2.gz RJXJTDFSHNCSGA-SRVKXCTJSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047295478 678503976 /nfs/dbraw/zinc/50/39/76/678503976.db2.gz MOYPOLDHRYIJJA-STQMWFEESA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047311567 678505181 /nfs/dbraw/zinc/50/51/81/678505181.db2.gz FUZVHZCYZJSAIK-SRVKXCTJSA-N 1 1 307.354 -1.243 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047311568 678505481 /nfs/dbraw/zinc/50/54/81/678505481.db2.gz FUZVHZCYZJSAIK-WOPDTQHZSA-N 1 1 307.354 -1.243 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001047321062 678506975 /nfs/dbraw/zinc/50/69/75/678506975.db2.gz BUPPJAAPSVQFMO-AVGNSLFASA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047324204 678507803 /nfs/dbraw/zinc/50/78/03/678507803.db2.gz LLFZWJLWMRMSML-RDBSUJKOSA-N 1 1 324.425 -1.137 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047325327 678507809 /nfs/dbraw/zinc/50/78/09/678507809.db2.gz APRQYZPEIQJXLW-NDBYEHHHSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047326287 678508541 /nfs/dbraw/zinc/50/85/41/678508541.db2.gz RLUFMGPMJVMNJA-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047331233 678508765 /nfs/dbraw/zinc/50/87/65/678508765.db2.gz DUCGRSINQWXNQD-SRVKXCTJSA-N 1 1 307.354 -1.656 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001047333657 678509145 /nfs/dbraw/zinc/50/91/45/678509145.db2.gz NRUYZDHOILFCQY-AVGNSLFASA-N 1 1 301.387 -1.533 20 0 DAADMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047350636 678509374 /nfs/dbraw/zinc/50/93/74/678509374.db2.gz DCCFOCOSVFVSFM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047350636 678509378 /nfs/dbraw/zinc/50/93/78/678509378.db2.gz DCCFOCOSVFVSFM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047354099 678510051 /nfs/dbraw/zinc/51/00/51/678510051.db2.gz YVIXMMIQCSSDHM-STQMWFEESA-N 1 1 301.387 -1.796 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367932 678511541 /nfs/dbraw/zinc/51/15/41/678511541.db2.gz PDBTVYQTSFIDLC-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367932 678511545 /nfs/dbraw/zinc/51/15/45/678511545.db2.gz PDBTVYQTSFIDLC-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047367873 678511646 /nfs/dbraw/zinc/51/16/46/678511646.db2.gz NILWAKFKVXCBEC-DCAQKATOSA-N 1 1 324.341 -2.110 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047367873 678511647 /nfs/dbraw/zinc/51/16/47/678511647.db2.gz NILWAKFKVXCBEC-DCAQKATOSA-N 1 1 324.341 -2.110 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047371228 678512169 /nfs/dbraw/zinc/51/21/69/678512169.db2.gz USVWNOTYVCRUHB-DRZSPHRISA-N 1 1 309.370 -1.031 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047371107 678512371 /nfs/dbraw/zinc/51/23/71/678512371.db2.gz SOOXKSNFIFPKGK-QWRGUYRKSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047371107 678512373 /nfs/dbraw/zinc/51/23/73/678512373.db2.gz SOOXKSNFIFPKGK-QWRGUYRKSA-N 1 1 320.357 -1.776 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001047375238 678512970 /nfs/dbraw/zinc/51/29/70/678512970.db2.gz JJRNVKFKSXUAKQ-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001047375238 678512971 /nfs/dbraw/zinc/51/29/71/678512971.db2.gz JJRNVKFKSXUAKQ-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047380981 678513503 /nfs/dbraw/zinc/51/35/03/678513503.db2.gz CHPPUQJJDFWMFQ-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381792 678514178 /nfs/dbraw/zinc/51/41/78/678514178.db2.gz RTTJLDUUMMVYQC-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381792 678514180 /nfs/dbraw/zinc/51/41/80/678514180.db2.gz RTTJLDUUMMVYQC-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047385512 678514335 /nfs/dbraw/zinc/51/43/35/678514335.db2.gz PUFWVDKIBWPZHY-QWRGUYRKSA-N 1 1 322.369 -1.710 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381060 678514398 /nfs/dbraw/zinc/51/43/98/678514398.db2.gz FMCJEHBKTZDEKU-GUBZILKMSA-N 1 1 311.346 -2.560 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381060 678514402 /nfs/dbraw/zinc/51/44/02/678514402.db2.gz FMCJEHBKTZDEKU-GUBZILKMSA-N 1 1 311.346 -2.560 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047382051 678514549 /nfs/dbraw/zinc/51/45/49/678514549.db2.gz UKVJBVOIKPKURU-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047382051 678514553 /nfs/dbraw/zinc/51/45/53/678514553.db2.gz UKVJBVOIKPKURU-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047389038 678515084 /nfs/dbraw/zinc/51/50/84/678515084.db2.gz QLTFUMAUXQRBLH-ABHRYQDASA-N 1 1 321.381 -1.182 20 0 DAADMO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047389038 678515086 /nfs/dbraw/zinc/51/50/86/678515086.db2.gz QLTFUMAUXQRBLH-ABHRYQDASA-N 1 1 321.381 -1.182 20 0 DAADMO C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)N1C(=O)CCC1=O ZINC001047400642 678515489 /nfs/dbraw/zinc/51/54/89/678515489.db2.gz FLIYDEKPJTZYTI-DCAQKATOSA-N 1 1 313.354 -1.980 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047400794 678515908 /nfs/dbraw/zinc/51/59/08/678515908.db2.gz JWMZYSBYBRZNDV-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047400794 678515911 /nfs/dbraw/zinc/51/59/11/678515911.db2.gz JWMZYSBYBRZNDV-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397902 678515964 /nfs/dbraw/zinc/51/59/64/678515964.db2.gz NMBNGGXOVFRJGG-DCAQKATOSA-N 1 1 310.358 -1.955 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397902 678515966 /nfs/dbraw/zinc/51/59/66/678515966.db2.gz NMBNGGXOVFRJGG-DCAQKATOSA-N 1 1 310.358 -1.955 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001047405581 678516277 /nfs/dbraw/zinc/51/62/77/678516277.db2.gz LDTVHBQOKFMZFX-UWJYBYFXSA-N 1 1 320.353 -1.149 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047414241 678517060 /nfs/dbraw/zinc/51/70/60/678517060.db2.gz HXUAVFYKGUQIRB-GUBZILKMSA-N 1 1 316.333 -1.552 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414056 678517178 /nfs/dbraw/zinc/51/71/78/678517178.db2.gz FSPPSDWKSMRJOG-DCAQKATOSA-N 1 1 312.370 -1.112 20 0 DAADMO CN(C(=O)c1cc2n(n1)CCO2)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047411067 678517351 /nfs/dbraw/zinc/51/73/51/678517351.db2.gz UDSDOWMQOFSGIA-RYUDHWBXSA-N 1 1 310.354 -1.225 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 ZINC001047410357 678517386 /nfs/dbraw/zinc/51/73/86/678517386.db2.gz ISUAJLNCEGEQGW-DLOVCJGASA-N 1 1 310.354 -1.227 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001047419256 678518011 /nfs/dbraw/zinc/51/80/11/678518011.db2.gz VTDALGURHDZWHB-DCAQKATOSA-N 1 1 323.353 -1.437 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001047419256 678518012 /nfs/dbraw/zinc/51/80/12/678518012.db2.gz VTDALGURHDZWHB-DCAQKATOSA-N 1 1 323.353 -1.437 20 0 DAADMO CN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047432022 678518361 /nfs/dbraw/zinc/51/83/61/678518361.db2.gz VFEDTOGEHJGSLA-XBFCOCLRSA-N 1 1 308.382 -1.059 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047430481 678518463 /nfs/dbraw/zinc/51/84/63/678518463.db2.gz IPUUHUZNYDOEHP-AVGNSLFASA-N 1 1 312.414 -1.280 20 0 DAADMO CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047428338 678518581 /nfs/dbraw/zinc/51/85/81/678518581.db2.gz GSKSGTNBVGZVRO-SLEUVZQESA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047438275 678519026 /nfs/dbraw/zinc/51/90/26/678519026.db2.gz GHGOFYCDHUJXAN-RYUDHWBXSA-N 1 1 322.369 -1.456 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047438275 678519029 /nfs/dbraw/zinc/51/90/29/678519029.db2.gz GHGOFYCDHUJXAN-RYUDHWBXSA-N 1 1 322.369 -1.456 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047434784 678519441 /nfs/dbraw/zinc/51/94/41/678519441.db2.gz ZXMRZPHRRNTTET-MJBXVCDLSA-N 1 1 315.414 -1.407 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047434781 678519592 /nfs/dbraw/zinc/51/95/92/678519592.db2.gz ZXMRZPHRRNTTET-IHRRRGAJSA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047441707 678520098 /nfs/dbraw/zinc/52/00/98/678520098.db2.gz TZBPDDIFOFFOSO-QWRGUYRKSA-N 1 1 306.330 -1.787 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047441707 678520101 /nfs/dbraw/zinc/52/01/01/678520101.db2.gz TZBPDDIFOFFOSO-QWRGUYRKSA-N 1 1 306.330 -1.787 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001047443023 678520513 /nfs/dbraw/zinc/52/05/13/678520513.db2.gz QKQZVHACOPWECC-SRVKXCTJSA-N 1 1 314.386 -1.714 20 0 DAADMO CN(C(=O)c1cnn2c1OCCC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047443443 678520687 /nfs/dbraw/zinc/52/06/87/678520687.db2.gz FUEMDPCXPLBIIW-RYUDHWBXSA-N 1 1 310.354 -1.225 20 0 DAADMO CN(C(=O)c1cnn2c1OCCC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047443443 678520688 /nfs/dbraw/zinc/52/06/88/678520688.db2.gz FUEMDPCXPLBIIW-RYUDHWBXSA-N 1 1 310.354 -1.225 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001047445705 678520773 /nfs/dbraw/zinc/52/07/73/678520773.db2.gz LAGREUHWAJESIZ-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047443352 678520807 /nfs/dbraw/zinc/52/08/07/678520807.db2.gz STZKFUNCHRTPEK-QWRGUYRKSA-N 1 1 300.359 -2.103 20 0 DAADMO COc1cnc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC001047452309 678521317 /nfs/dbraw/zinc/52/13/17/678521317.db2.gz IQYQHSCPTVGXGB-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047450463 678521329 /nfs/dbraw/zinc/52/13/29/678521329.db2.gz XKCOPOWAOVGWOA-WOPDTQHZSA-N 1 1 314.386 -1.727 20 0 DAADMO CN(C(=O)c1ccnc2n[nH]nc21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047452558 678521429 /nfs/dbraw/zinc/52/14/29/678521429.db2.gz PTSMIOYQIWOKTI-UWVGGRQHSA-N 1 1 306.326 -1.538 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)nn1C ZINC001047452534 678521523 /nfs/dbraw/zinc/52/15/23/678521523.db2.gz OGVQXTXOSWOHDD-DLOVCJGASA-N 1 1 312.370 -1.073 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459344 678522041 /nfs/dbraw/zinc/52/20/41/678522041.db2.gz QSKYTDDGEQIYRY-AGIUHOORSA-N 1 1 323.397 -1.170 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nncn2CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047462837 678522088 /nfs/dbraw/zinc/52/20/88/678522088.db2.gz NAELHSIGEXWTLN-AGIUHOORSA-N 1 1 323.397 -1.274 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001047477616 678523045 /nfs/dbraw/zinc/52/30/45/678523045.db2.gz FRABJGQABWVXNX-UWVGGRQHSA-N 1 1 320.357 -1.169 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC001047481358 678523589 /nfs/dbraw/zinc/52/35/89/678523589.db2.gz AVSUJBZEXAPMJS-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047484311 678523930 /nfs/dbraw/zinc/52/39/30/678523930.db2.gz REJKLGAKSOABMC-KBPBESRZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047483624 678524016 /nfs/dbraw/zinc/52/40/16/678524016.db2.gz BSCLAKKPTGJOKS-RNJOBUHISA-N 1 1 310.398 -1.527 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047490188 678524630 /nfs/dbraw/zinc/52/46/30/678524630.db2.gz KKZNLUMKUDJBKP-RYUDHWBXSA-N 1 1 324.385 -1.246 20 0 DAADMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047498729 678525569 /nfs/dbraw/zinc/52/55/69/678525569.db2.gz GFCZKRHIWQIGGV-AVGNSLFASA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047498729 678525571 /nfs/dbraw/zinc/52/55/71/678525571.db2.gz GFCZKRHIWQIGGV-AVGNSLFASA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047497737 678525822 /nfs/dbraw/zinc/52/58/22/678525822.db2.gz SQOSCRRQYQFTRJ-ZUWCUPBKSA-N 1 1 321.381 -1.326 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047497737 678525824 /nfs/dbraw/zinc/52/58/24/678525824.db2.gz SQOSCRRQYQFTRJ-ZUWCUPBKSA-N 1 1 321.381 -1.326 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047500440 678526118 /nfs/dbraw/zinc/52/61/18/678526118.db2.gz GEIWRLTYHBCAFT-AVGNSLFASA-N 1 1 313.398 -1.118 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001047526006 678527635 /nfs/dbraw/zinc/52/76/35/678527635.db2.gz FGOXAQOSMPKYPT-FIQHERPVSA-N 1 1 315.370 -1.831 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001047534651 678528513 /nfs/dbraw/zinc/52/85/13/678528513.db2.gz ZNRZIBNWIBTMRO-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001047534651 678528515 /nfs/dbraw/zinc/52/85/15/678528515.db2.gz ZNRZIBNWIBTMRO-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047531779 678528533 /nfs/dbraw/zinc/52/85/33/678528533.db2.gz OOBZCSWNNQRJKJ-VOAKCMCISA-N 1 1 321.381 -1.455 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047531779 678528537 /nfs/dbraw/zinc/52/85/37/678528537.db2.gz OOBZCSWNNQRJKJ-VOAKCMCISA-N 1 1 321.381 -1.455 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047531224 678528606 /nfs/dbraw/zinc/52/86/06/678528606.db2.gz KCEBUNPYMIFKLA-VOAKCMCISA-N 1 1 313.398 -1.226 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047549287 678529609 /nfs/dbraw/zinc/52/96/09/678529609.db2.gz REHCCBSKLJQAQC-DCAQKATOSA-N 1 1 312.370 -1.112 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001047559113 678529647 /nfs/dbraw/zinc/52/96/47/678529647.db2.gz QTCASOFUPRAXIP-RYUDHWBXSA-N 1 1 324.385 -1.298 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047549301 678529697 /nfs/dbraw/zinc/52/96/97/678529697.db2.gz RPIOLFNLFRKOSM-DCAQKATOSA-N 1 1 312.370 -1.256 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001047550283 678529761 /nfs/dbraw/zinc/52/97/61/678529761.db2.gz XQENQCYKXPRAJS-QWRGUYRKSA-N 1 1 310.354 -1.779 20 0 DAADMO COc1c(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC001047552062 678529857 /nfs/dbraw/zinc/52/98/57/678529857.db2.gz BAKKLIDWSUMUFT-QWRGUYRKSA-N 1 1 312.370 -1.153 20 0 DAADMO COc1c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC001047552062 678529859 /nfs/dbraw/zinc/52/98/59/678529859.db2.gz BAKKLIDWSUMUFT-QWRGUYRKSA-N 1 1 312.370 -1.153 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047563891 678530288 /nfs/dbraw/zinc/53/02/88/678530288.db2.gz ZAAPBSQSKPNJOB-QWRGUYRKSA-N 1 1 313.354 -1.811 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001047559476 678530314 /nfs/dbraw/zinc/53/03/14/678530314.db2.gz VQGJTORDGVATCE-SSOKKCIESA-N 1 1 324.381 -1.114 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001047561826 678530598 /nfs/dbraw/zinc/53/05/98/678530598.db2.gz XPDFTBYUOKHFBB-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047567389 678531205 /nfs/dbraw/zinc/53/12/05/678531205.db2.gz HIAHGROUQIMSQL-QWRGUYRKSA-N 1 1 310.354 -1.548 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047567652 678531378 /nfs/dbraw/zinc/53/13/78/678531378.db2.gz RCMGROJOECIMSC-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CCn1nc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001047569761 678531460 /nfs/dbraw/zinc/53/14/60/678531460.db2.gz KGMPPZXZGJXXDY-RYUDHWBXSA-N 1 1 310.354 -1.627 20 0 DAADMO CCn1nc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)ccc1=O ZINC001047570013 678531740 /nfs/dbraw/zinc/53/17/40/678531740.db2.gz QIZJAXQRZXOYKZ-WXHSDQCUSA-N 1 1 324.381 -1.239 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047570569 678532067 /nfs/dbraw/zinc/53/20/67/678532067.db2.gz QKJIUBQMPHCPKW-RYUDHWBXSA-N 1 1 319.369 -1.102 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001047576388 678532664 /nfs/dbraw/zinc/53/26/64/678532664.db2.gz INIQWAHXQRERBW-ZHAHWJHGSA-N 1 1 310.354 -1.389 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047578661 678532887 /nfs/dbraw/zinc/53/28/87/678532887.db2.gz GXZZGBLWFMWAKI-SRVKXCTJSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047578661 678532890 /nfs/dbraw/zinc/53/28/90/678532890.db2.gz GXZZGBLWFMWAKI-SRVKXCTJSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047579992 678532946 /nfs/dbraw/zinc/53/29/46/678532946.db2.gz XMDCADFERSFCTF-WOPDTQHZSA-N 1 1 321.381 -1.314 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047579992 678532949 /nfs/dbraw/zinc/53/29/49/678532949.db2.gz XMDCADFERSFCTF-WOPDTQHZSA-N 1 1 321.381 -1.314 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047585037 678533028 /nfs/dbraw/zinc/53/30/28/678533028.db2.gz JWMZYSBYBRZNDV-NDBYEHHHSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047585037 678533029 /nfs/dbraw/zinc/53/30/29/678533029.db2.gz JWMZYSBYBRZNDV-NDBYEHHHSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047589589 678533549 /nfs/dbraw/zinc/53/35/49/678533549.db2.gz LYPLDXXXJIUPJZ-DCAQKATOSA-N 1 1 322.369 -1.871 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047589589 678533552 /nfs/dbraw/zinc/53/35/52/678533552.db2.gz LYPLDXXXJIUPJZ-DCAQKATOSA-N 1 1 322.369 -1.871 20 0 DAADMO CN(C(=O)CN1CCC(=O)NC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047587921 678533870 /nfs/dbraw/zinc/53/38/70/678533870.db2.gz DTBMEJUTJRLTGY-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047597041 678534094 /nfs/dbraw/zinc/53/40/94/678534094.db2.gz FSQMURRBRNXOFF-RYUDHWBXSA-N 1 1 324.381 -1.206 20 0 DAADMO CNC(=O)c1ccc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001047598992 678535169 /nfs/dbraw/zinc/53/51/69/678535169.db2.gz CRGHLJSTNCSGNC-STQMWFEESA-N 1 1 322.365 -1.449 20 0 DAADMO CNC(=O)c1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001047598992 678535174 /nfs/dbraw/zinc/53/51/74/678535174.db2.gz CRGHLJSTNCSGNC-STQMWFEESA-N 1 1 322.365 -1.449 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047615285 678535992 /nfs/dbraw/zinc/53/59/92/678535992.db2.gz SDPXWSNJPHWQKC-UWVGGRQHSA-N 1 1 300.334 -1.023 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047615285 678535996 /nfs/dbraw/zinc/53/59/96/678535996.db2.gz SDPXWSNJPHWQKC-UWVGGRQHSA-N 1 1 300.334 -1.023 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2C[N@@H+](C(C)C)C[C@@H]2O)c(=O)n1C ZINC001047613583 678536173 /nfs/dbraw/zinc/53/61/73/678536173.db2.gz KDHWIHKNJWSFAF-RYUDHWBXSA-N 1 1 311.386 -1.198 20 0 DAADMO COc1c(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cnn1C ZINC001047610118 678536241 /nfs/dbraw/zinc/53/62/41/678536241.db2.gz PHDAWWQWTFVRGW-RYUDHWBXSA-N 1 1 312.370 -1.072 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047613540 678536350 /nfs/dbraw/zinc/53/63/50/678536350.db2.gz IQTFKEXIUWSBGT-RWMBFGLXSA-N 1 1 315.370 -2.271 20 0 DAADMO CN(C(=O)C[C@H]1CCCCC(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047610113 678536441 /nfs/dbraw/zinc/53/64/41/678536441.db2.gz PEFUPDFEKCAZIS-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047619748 678536669 /nfs/dbraw/zinc/53/66/69/678536669.db2.gz XGQWQAPWHQEYGO-QWRGUYRKSA-N 1 1 310.354 -1.548 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047619762 678536686 /nfs/dbraw/zinc/53/66/86/678536686.db2.gz YAHSFEGLAGCUOS-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047619924 678536794 /nfs/dbraw/zinc/53/67/94/678536794.db2.gz CXBOFHIMILNVPB-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001047619443 678536833 /nfs/dbraw/zinc/53/68/33/678536833.db2.gz OGTAFCJKGQNPOO-UTLUCORTSA-N 1 1 323.353 -1.927 20 0 DAADMO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047619222 678536990 /nfs/dbraw/zinc/53/69/90/678536990.db2.gz GZTFLCFRJWZALP-UWVGGRQHSA-N 1 1 314.342 -2.624 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047619658 678537078 /nfs/dbraw/zinc/53/70/78/678537078.db2.gz UZKBBCATZYDPJL-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047619397 678537135 /nfs/dbraw/zinc/53/71/35/678537135.db2.gz LEMWYFTZDNEAQI-IUCAKERBSA-N 1 1 300.315 -2.966 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047618550 678537197 /nfs/dbraw/zinc/53/71/97/678537197.db2.gz CMSNDQDUYARFCR-RYUDHWBXSA-N 1 1 310.354 -1.720 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001047622827 678537590 /nfs/dbraw/zinc/53/75/90/678537590.db2.gz OFUDLNMFCLBIRE-VWYCJHECSA-N 1 1 313.354 -1.980 20 0 DAADMO Cc1csc(=O)n1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047623700 678537624 /nfs/dbraw/zinc/53/76/24/678537624.db2.gz MVQOJNUFOSCDDV-QWRGUYRKSA-N 1 1 315.395 -1.286 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624135 678537752 /nfs/dbraw/zinc/53/77/52/678537752.db2.gz BULRWOQUDKIURT-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001047633877 678538401 /nfs/dbraw/zinc/53/84/01/678538401.db2.gz PWCQJACTHQGTLB-MELADBBJSA-N 1 1 315.414 -1.143 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001047639660 678539298 /nfs/dbraw/zinc/53/92/98/678539298.db2.gz KDCJLKOBNWTFLX-QWRGUYRKSA-N 1 1 310.358 -1.711 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nncn2C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047639024 678539368 /nfs/dbraw/zinc/53/93/68/678539368.db2.gz KPDUYMQUDAIQMK-AGIUHOORSA-N 1 1 323.397 -1.274 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001047639078 678539616 /nfs/dbraw/zinc/53/96/16/678539616.db2.gz LERMQJNCQZSVGO-AVGNSLFASA-N 1 1 323.397 -1.010 20 0 DAADMO CN(C(=O)[C@H]1CCc2nncn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047639117 678539679 /nfs/dbraw/zinc/53/96/79/678539679.db2.gz LVMFUMWCYFYZTC-SRVKXCTJSA-N 1 1 309.370 -1.664 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001047642854 678539746 /nfs/dbraw/zinc/53/97/46/678539746.db2.gz DOBPLYRHQMCBDF-STQMWFEESA-N 1 1 322.365 -1.056 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001047648628 678540064 /nfs/dbraw/zinc/54/00/64/678540064.db2.gz VLNANCPOXHPZNO-BJDJZHNGSA-N 1 1 314.386 -1.586 20 0 DAADMO Cc1nonc1C(=O)N(C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047648422 678540194 /nfs/dbraw/zinc/54/01/94/678540194.db2.gz NYNIJXZBTULGGD-QWRGUYRKSA-N 1 1 321.341 -1.213 20 0 DAADMO Cc1nonc1C(=O)N(C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047648422 678540197 /nfs/dbraw/zinc/54/01/97/678540197.db2.gz NYNIJXZBTULGGD-QWRGUYRKSA-N 1 1 321.341 -1.213 20 0 DAADMO CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047649543 678540230 /nfs/dbraw/zinc/54/02/30/678540230.db2.gz FBPNFNPSYHECRW-WOPDTQHZSA-N 1 1 309.366 -1.047 20 0 DAADMO CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047650130 678540823 /nfs/dbraw/zinc/54/08/23/678540823.db2.gz RTRVCVILAXPWJQ-VWYCJHECSA-N 1 1 313.354 -2.075 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047842875 678541223 /nfs/dbraw/zinc/54/12/23/678541223.db2.gz DYCJKCHTMDPYGI-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047842878 678541396 /nfs/dbraw/zinc/54/13/96/678541396.db2.gz DYCJKCHTMDPYGI-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001047897619 678541719 /nfs/dbraw/zinc/54/17/19/678541719.db2.gz IRFTUPKLYHDCQG-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930409 678541870 /nfs/dbraw/zinc/54/18/70/678541870.db2.gz DKFJUNOHQOPTFI-BDAKNGLRSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047995359 678543160 /nfs/dbraw/zinc/54/31/60/678543160.db2.gz DQRWCYUJBGDSHQ-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047995362 678543514 /nfs/dbraw/zinc/54/35/14/678543514.db2.gz DQRWCYUJBGDSHQ-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048029378 678544419 /nfs/dbraw/zinc/54/44/19/678544419.db2.gz WTKBPSBNTSAVAG-NXEZZACHSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048249745 678547894 /nfs/dbraw/zinc/54/78/94/678547894.db2.gz SXUONMLQEMQUEB-VHSXEESVSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048282832 678548897 /nfs/dbraw/zinc/54/88/97/678548897.db2.gz FKCIXGJWNFUPGY-UWVGGRQHSA-N 1 1 323.401 -1.094 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048365651 678549737 /nfs/dbraw/zinc/54/97/37/678549737.db2.gz KBSAJKLODORESM-UWVGGRQHSA-N 1 1 321.385 -1.340 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048401550 678550559 /nfs/dbraw/zinc/55/05/59/678550559.db2.gz AVHGDJOXACSQTH-VHSXEESVSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048441170 678551367 /nfs/dbraw/zinc/55/13/67/678551367.db2.gz IDRSWHGUDDTNBY-NXEZZACHSA-N 1 1 319.373 -1.245 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048441173 678551397 /nfs/dbraw/zinc/55/13/97/678551397.db2.gz IDRSWHGUDDTNBY-ZJUUUORDSA-N 1 1 319.373 -1.245 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCNC1=O)C2 ZINC001048553717 678552453 /nfs/dbraw/zinc/55/24/53/678552453.db2.gz UFYKJTZJSQFALU-USZNOCQGSA-N 1 1 308.382 -1.033 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001048608413 678554461 /nfs/dbraw/zinc/55/44/61/678554461.db2.gz MQAMMRJXFRANAK-QWRGUYRKSA-N 1 1 323.353 -1.903 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001048612843 678554664 /nfs/dbraw/zinc/55/46/64/678554664.db2.gz NTQPRFBUQADBFS-QWRGUYRKSA-N 1 1 323.353 -1.903 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048669995 678555321 /nfs/dbraw/zinc/55/53/21/678555321.db2.gz DLWSXWJUCIYNOU-GRYCIOLGSA-N 1 1 319.369 -1.658 20 0 DAADMO Cc1nc(CN2C[C@@H]3CN(C(=O)Cn4cnnn4)C[C@@H]3C2)n[nH]1 ZINC001048670543 678555399 /nfs/dbraw/zinc/55/53/99/678555399.db2.gz IIHDFXBWZGMDBU-PHIMTYICSA-N 1 1 317.357 -1.310 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]2C1 ZINC001048634764 678555558 /nfs/dbraw/zinc/55/55/58/678555558.db2.gz XULZWBONKQNXSP-TXEJJXNPSA-N 1 1 306.366 -1.006 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C1 ZINC001048674665 678555749 /nfs/dbraw/zinc/55/57/49/678555749.db2.gz WNTSNWGXFIUZRA-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048690687 678555947 /nfs/dbraw/zinc/55/59/47/678555947.db2.gz OKWIRGVVZHGNKH-FVCCEPFGSA-N 1 1 311.382 -1.074 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048691044 678555955 /nfs/dbraw/zinc/55/59/55/678555955.db2.gz WCMYBGTVEVDXPB-XQHKEYJVSA-N 1 1 309.366 -1.320 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671740 678555967 /nfs/dbraw/zinc/55/59/67/678555967.db2.gz ICVDOWPNEGWNND-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671740 678555969 /nfs/dbraw/zinc/55/59/69/678555969.db2.gz ICVDOWPNEGWNND-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671641 678556182 /nfs/dbraw/zinc/55/61/82/678556182.db2.gz GQOWKGRWVCUJPS-UTUOFQBUSA-N 1 1 321.385 -1.460 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048721615 678556551 /nfs/dbraw/zinc/55/65/51/678556551.db2.gz KSCUNUZBDNACLN-XQHKEYJVSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001048721476 678556805 /nfs/dbraw/zinc/55/68/05/678556805.db2.gz FCUYOEDHQIJTCS-FRRDWIJNSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001048721538 678556894 /nfs/dbraw/zinc/55/68/94/678556894.db2.gz IACVJPCUEDJQRU-NTZNESFSSA-N 1 1 320.393 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)OC)C[C@H]2C1 ZINC001048713376 678556964 /nfs/dbraw/zinc/55/69/64/678556964.db2.gz UAYGZCHBXJSDJO-WRWGMCAJSA-N 1 1 309.366 -1.068 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048723816 678557175 /nfs/dbraw/zinc/55/71/75/678557175.db2.gz QGLPRTMAHPPZST-WISYIIOYSA-N 1 1 308.382 -1.210 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048732560 678557743 /nfs/dbraw/zinc/55/77/43/678557743.db2.gz FTGXTIJSGQTMRH-FRRDWIJNSA-N 1 1 321.381 -1.490 20 0 DAADMO Nc1nccnc1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048731150 678557829 /nfs/dbraw/zinc/55/78/29/678557829.db2.gz NFTLCXXOBCATLZ-OUAUKWLOSA-N 1 1 316.365 -1.049 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739096 678558391 /nfs/dbraw/zinc/55/83/91/678558391.db2.gz GVPNOXYWSHDPPQ-RQJABVFESA-N 1 1 324.425 -1.029 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740181 678558449 /nfs/dbraw/zinc/55/84/49/678558449.db2.gz UZLNZMGPOAYNBQ-HZSPNIEDSA-N 1 1 324.425 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740310 678558557 /nfs/dbraw/zinc/55/85/57/678558557.db2.gz YSNQEEIGJZNOCE-NDBYEHHHSA-N 1 1 310.398 -1.419 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739917 678558862 /nfs/dbraw/zinc/55/88/62/678558862.db2.gz QLHDEFFYQZBYEK-FRRDWIJNSA-N 1 1 310.398 -1.547 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O ZINC001048734337 678558953 /nfs/dbraw/zinc/55/89/53/678558953.db2.gz QJJLELCPDQRKRU-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048733917 678559010 /nfs/dbraw/zinc/55/90/10/678559010.db2.gz LSUAWWFTVYTTGN-PHIMTYICSA-N 1 1 309.370 -1.723 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739920 678559080 /nfs/dbraw/zinc/55/90/80/678559080.db2.gz QLHDEFFYQZBYEK-XQQFMLRXSA-N 1 1 310.398 -1.547 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048762158 678559326 /nfs/dbraw/zinc/55/93/26/678559326.db2.gz CODBZTMVGMJFAT-WUHRBBMRSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048775988 678559395 /nfs/dbraw/zinc/55/93/95/678559395.db2.gz GIRCACOSDSVWCV-FVCCEPFGSA-N 1 1 310.398 -1.419 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048761238 678559497 /nfs/dbraw/zinc/55/94/97/678559497.db2.gz HJWRITWUXRSBML-SDDRHHMPSA-N 1 1 308.382 -1.351 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048776253 678559701 /nfs/dbraw/zinc/55/97/01/678559701.db2.gz RMOBRIWCZOBSOL-RFQIPJPRSA-N 1 1 324.425 -1.029 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048772791 678559748 /nfs/dbraw/zinc/55/97/48/678559748.db2.gz CKFHOCFDVPEPFK-MJBXVCDLSA-N 1 1 322.409 -1.403 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048777396 678560025 /nfs/dbraw/zinc/56/00/25/678560025.db2.gz OELXZRBWJRMWJF-HZSPNIEDSA-N 1 1 324.425 -1.205 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2C1 ZINC001048787907 678560148 /nfs/dbraw/zinc/56/01/48/678560148.db2.gz QQYJCDJEHHXRFT-RTXFEEFZSA-N 1 1 322.409 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048787591 678560260 /nfs/dbraw/zinc/56/02/60/678560260.db2.gz BSIDFOZMDIETPZ-SCRDCRAPSA-N 1 1 320.393 -1.257 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778887 678560322 /nfs/dbraw/zinc/56/03/22/678560322.db2.gz JXQQXVIBBWZPKP-GARJFASQSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778598 678560392 /nfs/dbraw/zinc/56/03/92/678560392.db2.gz DQGZNBMNYPDXDJ-LPEHRKFASA-N 1 1 308.342 -1.752 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048787590 678560454 /nfs/dbraw/zinc/56/04/54/678560454.db2.gz BSIDFOZMDIETPZ-MBNYWOFBSA-N 1 1 320.393 -1.257 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778888 678560556 /nfs/dbraw/zinc/56/05/56/678560556.db2.gz JXQQXVIBBWZPKP-MXWKQRLJSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C1 ZINC001048780059 678560600 /nfs/dbraw/zinc/56/06/00/678560600.db2.gz YPHAGPXMGCXPJX-LPEHRKFASA-N 1 1 306.370 -1.120 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794487 678561111 /nfs/dbraw/zinc/56/11/11/678561111.db2.gz WUGNSSUBIJPNTQ-YFKTTZPYSA-N 1 1 324.381 -1.038 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001048796426 678561231 /nfs/dbraw/zinc/56/12/31/678561231.db2.gz PMZRUPSMGYSFJE-MXWKQRLJSA-N 1 1 306.370 -1.047 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048802552 678561352 /nfs/dbraw/zinc/56/13/52/678561352.db2.gz ILADVYAWLXYDIT-AXFHLTTASA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048822007 678561649 /nfs/dbraw/zinc/56/16/49/678561649.db2.gz MSPLFIGROVYYAX-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048822007 678561653 /nfs/dbraw/zinc/56/16/53/678561653.db2.gz MSPLFIGROVYYAX-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)nn1 ZINC001048816273 678561733 /nfs/dbraw/zinc/56/17/33/678561733.db2.gz VIFAOGXZYNJJJN-TXEJJXNPSA-N 1 1 309.370 -1.079 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)[nH]1 ZINC001048813123 678561847 /nfs/dbraw/zinc/56/18/47/678561847.db2.gz FVBRQDWZIAUGEL-GRYCIOLGSA-N 1 1 318.381 -1.066 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)nn1 ZINC001048821759 678561876 /nfs/dbraw/zinc/56/18/76/678561876.db2.gz BJEZBIBTHISMMT-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)nn1 ZINC001048821759 678561877 /nfs/dbraw/zinc/56/18/77/678561877.db2.gz BJEZBIBTHISMMT-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821862 678561887 /nfs/dbraw/zinc/56/18/87/678561887.db2.gz GMSZNLIUAQVVAR-GARJFASQSA-N 1 1 307.358 -1.802 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822232 678562366 /nfs/dbraw/zinc/56/23/66/678562366.db2.gz WRKVKBXPGXEIIA-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822232 678562370 /nfs/dbraw/zinc/56/23/70/678562370.db2.gz WRKVKBXPGXEIIA-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822641 678562383 /nfs/dbraw/zinc/56/23/83/678562383.db2.gz OBWMMBXUTUQXRO-AXFHLTTASA-N 1 1 307.358 -1.673 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833453 678562404 /nfs/dbraw/zinc/56/24/04/678562404.db2.gz ODGDADKOJXRSCC-CRWXNKLISA-N 1 1 322.409 -1.275 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833453 678562409 /nfs/dbraw/zinc/56/24/09/678562409.db2.gz ODGDADKOJXRSCC-CRWXNKLISA-N 1 1 322.409 -1.275 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001048829277 678562586 /nfs/dbraw/zinc/56/25/86/678562586.db2.gz OKHHCJCXLOLGTE-AOOOYVTPSA-N 1 1 321.385 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848939 678562992 /nfs/dbraw/zinc/56/29/92/678562992.db2.gz YQYXSODICAZAST-WHOHXGKFSA-N 1 1 308.382 -1.271 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048860983 678563813 /nfs/dbraw/zinc/56/38/13/678563813.db2.gz HASXGKWTVVHHNR-RVMXOQNASA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c1=O ZINC001048850221 678563970 /nfs/dbraw/zinc/56/39/70/678563970.db2.gz AUCRLZZSZZKVJY-TXEJJXNPSA-N 1 1 322.365 -2.071 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048863115 678564001 /nfs/dbraw/zinc/56/40/01/678564001.db2.gz ZMHWKQZORLZULV-KKOKHZNYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048863118 678564048 /nfs/dbraw/zinc/56/40/48/678564048.db2.gz ZMHWKQZORLZULV-KXNHARMFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048866108 678564069 /nfs/dbraw/zinc/56/40/69/678564069.db2.gz WGDFSBUMPKQANP-UPJWGTAASA-N 1 1 311.382 -1.384 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878751 678564703 /nfs/dbraw/zinc/56/47/03/678564703.db2.gz RILTYBDLEMTMLW-NNYUYHANSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878453 678564781 /nfs/dbraw/zinc/56/47/81/678564781.db2.gz LEDJTVBQLLTHGO-FRRDWIJNSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C1 ZINC001048878903 678564859 /nfs/dbraw/zinc/56/48/59/678564859.db2.gz CVVZAUORICQKFL-NNYUYHANSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cc1=O ZINC001048870877 678564884 /nfs/dbraw/zinc/56/48/84/678564884.db2.gz PSKYLOLNOPDVQU-AOOOYVTPSA-N 1 1 305.338 -1.731 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048881477 678564905 /nfs/dbraw/zinc/56/49/05/678564905.db2.gz YHOVZCHWCAIUSQ-YVECIDJPSA-N 1 1 320.393 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048908543 678565342 /nfs/dbraw/zinc/56/53/42/678565342.db2.gz SDHOVUURXISIIN-OKILXGFUSA-N 1 1 324.425 -1.203 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001048910630 678565374 /nfs/dbraw/zinc/56/53/74/678565374.db2.gz DDFJGQBVUGVKHQ-MJBXVCDLSA-N 1 1 324.425 -1.157 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001048910629 678565452 /nfs/dbraw/zinc/56/54/52/678565452.db2.gz DDFJGQBVUGVKHQ-HZSPNIEDSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1=O ZINC001048898352 678565507 /nfs/dbraw/zinc/56/55/07/678565507.db2.gz PZAJSMPELRXURT-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912192 678565815 /nfs/dbraw/zinc/56/58/15/678565815.db2.gz FNSZHNOWRLNULS-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048923427 678566228 /nfs/dbraw/zinc/56/62/28/678566228.db2.gz UWQQZWBGSRLKLI-UTUOFQBUSA-N 1 1 322.365 -1.280 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)ccc1=O ZINC001048916499 678566240 /nfs/dbraw/zinc/56/62/40/678566240.db2.gz YLWUFFIOWMLYJY-TXEJJXNPSA-N 1 1 304.350 -1.126 20 0 DAADMO COc1nccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001048931448 678566290 /nfs/dbraw/zinc/56/62/90/678566290.db2.gz LPAKHRHYHYRGLL-AOOOYVTPSA-N 1 1 305.338 -1.026 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048923424 678566474 /nfs/dbraw/zinc/56/64/74/678566474.db2.gz UWQQZWBGSRLKLI-SDDRHHMPSA-N 1 1 322.365 -1.280 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048956228 678566955 /nfs/dbraw/zinc/56/69/55/678566955.db2.gz RREXIIBVJFUAHI-JRPNMDOOSA-N 1 1 308.382 -1.351 20 0 DAADMO CO[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@@H]1CCOC1 ZINC001048960123 678566975 /nfs/dbraw/zinc/56/69/75/678566975.db2.gz SOMGNNYPRWLQKE-NMKXLXIOSA-N 1 1 311.382 -1.087 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 ZINC001048956952 678567031 /nfs/dbraw/zinc/56/70/31/678567031.db2.gz DJDNPDSQYGQLJN-UPJWGTAASA-N 1 1 323.397 -1.257 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977185 678567771 /nfs/dbraw/zinc/56/77/71/678567771.db2.gz YTHAKXNPOSFPPF-TXEJJXNPSA-N 1 1 323.397 -2.446 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977599 678567855 /nfs/dbraw/zinc/56/78/55/678567855.db2.gz FKUWZIPUBMGDEH-PHIMTYICSA-N 1 1 309.370 -2.706 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)NC1=O ZINC001048979577 678568394 /nfs/dbraw/zinc/56/83/94/678568394.db2.gz XBCIKTFYJBRBMG-WRWGMCAJSA-N 1 1 321.381 -1.711 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978956 678568546 /nfs/dbraw/zinc/56/85/46/678568546.db2.gz LEVMBJOMJRRUCX-TUAOUCFPSA-N 1 1 323.397 -1.512 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978267 678568825 /nfs/dbraw/zinc/56/88/25/678568825.db2.gz BAEQYLKXRILDTP-CHWFTXMASA-N 1 1 309.370 -1.726 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978979 678568868 /nfs/dbraw/zinc/56/88/68/678568868.db2.gz LRNHJDRBLDCRNS-NNYUYHANSA-N 1 1 323.397 -1.465 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)n1 ZINC001048991432 678569248 /nfs/dbraw/zinc/56/92/48/678569248.db2.gz WBOJRXFEMCAEOC-AXFHLTTASA-N 1 1 319.369 -1.508 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992147 678569277 /nfs/dbraw/zinc/56/92/77/678569277.db2.gz DKKVRVKSSSSBEE-NDBYEHHHSA-N 1 1 322.409 -1.011 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048990574 678569348 /nfs/dbraw/zinc/56/93/48/678569348.db2.gz XSAHAOUEMMKFGB-XQHKEYJVSA-N 1 1 320.393 -1.114 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992531 678569489 /nfs/dbraw/zinc/56/94/89/678569489.db2.gz JUASSPNIYMYXGH-FRRDWIJNSA-N 1 1 322.409 -1.057 20 0 DAADMO Cn1cc(OCC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cn1 ZINC001049012339 678570063 /nfs/dbraw/zinc/57/00/63/678570063.db2.gz ZOTSFRSJZXJQLO-PHIMTYICSA-N 1 1 307.354 -1.326 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007628 678570198 /nfs/dbraw/zinc/57/01/98/678570198.db2.gz LBMZGADCTUKEQL-HZSPNIEDSA-N 1 1 324.425 -1.029 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001049002500 678570353 /nfs/dbraw/zinc/57/03/53/678570353.db2.gz AMBOCPLWUHCYCB-WISYIIOYSA-N 1 1 308.382 -1.129 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018492 678570402 /nfs/dbraw/zinc/57/04/02/678570402.db2.gz FCULVQYCWFBZHX-TUAOUCFPSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018492 678570405 /nfs/dbraw/zinc/57/04/05/678570405.db2.gz FCULVQYCWFBZHX-TUAOUCFPSA-N 1 1 318.381 -1.008 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049015934 678570443 /nfs/dbraw/zinc/57/04/43/678570443.db2.gz ZVAGIIBUEIYAPG-UMNHJUIQSA-N 1 1 317.349 -1.338 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049015721 678570706 /nfs/dbraw/zinc/57/07/06/678570706.db2.gz VQZITIUSSVEQDZ-LPEHRKFASA-N 1 1 305.338 -1.353 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049020093 678571116 /nfs/dbraw/zinc/57/11/16/678571116.db2.gz XOOQIIUXRIQPCS-LOWVWBTDSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049020093 678571119 /nfs/dbraw/zinc/57/11/19/678571119.db2.gz XOOQIIUXRIQPCS-LOWVWBTDSA-N 1 1 318.381 -1.008 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001049020542 678571207 /nfs/dbraw/zinc/57/12/07/678571207.db2.gz GYQGOBUDCZTKDO-PHIMTYICSA-N 1 1 310.354 -2.279 20 0 DAADMO CCc1nnc(C[N@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1C ZINC001049020496 678571301 /nfs/dbraw/zinc/57/13/01/678571301.db2.gz FWNCJBZWLIIMMH-AOOOYVTPSA-N 1 1 306.370 -1.247 20 0 DAADMO CCc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1C ZINC001049020496 678571305 /nfs/dbraw/zinc/57/13/05/678571305.db2.gz FWNCJBZWLIIMMH-AOOOYVTPSA-N 1 1 306.370 -1.247 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001049021504 678571314 /nfs/dbraw/zinc/57/13/14/678571314.db2.gz XANPAAPSROGONU-PHIMTYICSA-N 1 1 318.381 -1.010 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001049021504 678571316 /nfs/dbraw/zinc/57/13/16/678571316.db2.gz XANPAAPSROGONU-PHIMTYICSA-N 1 1 318.381 -1.010 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)C1=O ZINC001049022866 678571348 /nfs/dbraw/zinc/57/13/48/678571348.db2.gz WDVBPRZRTJRUJP-TUAOUCFPSA-N 1 1 320.393 -1.127 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@@H]2C1 ZINC001049020936 678571535 /nfs/dbraw/zinc/57/15/35/678571535.db2.gz LRPFCXBMGMVTNL-PHIMTYICSA-N 1 1 324.381 -1.843 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049022636 678571689 /nfs/dbraw/zinc/57/16/89/678571689.db2.gz OKQOCNKNBAXWJG-TUAOUCFPSA-N 1 1 320.393 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCC(=O)N3)C[C@H]2C1 ZINC001049051733 678571970 /nfs/dbraw/zinc/57/19/70/678571970.db2.gz AQIHMVQPZLIQNR-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CCC(=O)N1 ZINC001049040410 678572008 /nfs/dbraw/zinc/57/20/08/678572008.db2.gz OIRNYHMCGVNPFF-BUWBCJGYSA-N 1 1 320.393 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCC(=O)N3)C[C@H]2C1 ZINC001049051732 678572586 /nfs/dbraw/zinc/57/25/86/678572586.db2.gz AQIHMVQPZLIQNR-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CCNC1=O ZINC001049056751 678572813 /nfs/dbraw/zinc/57/28/13/678572813.db2.gz YBIDHLSYMIPZML-AZKPJATDSA-N 1 1 320.393 -1.209 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)O1 ZINC001049053437 678572875 /nfs/dbraw/zinc/57/28/75/678572875.db2.gz CZOBEYNWUMURAO-QNWHQSFQSA-N 1 1 311.382 -1.208 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049060717 678573174 /nfs/dbraw/zinc/57/31/74/678573174.db2.gz KQJISHCLVDSBRW-RXGFPQBGSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@H]1CCC(=O)N1 ZINC001049073329 678573553 /nfs/dbraw/zinc/57/35/53/678573553.db2.gz LGNZJWFSNSFDMQ-NNYUYHANSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC001049063480 678573712 /nfs/dbraw/zinc/57/37/12/678573712.db2.gz WUFRAHXZGBVGJA-YYHQMBLXSA-N 1 1 322.409 -1.025 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C1 ZINC001049062940 678573744 /nfs/dbraw/zinc/57/37/44/678573744.db2.gz RDHLXQGMOGYFBZ-KXNHARMFSA-N 1 1 308.382 -1.237 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049084696 678573753 /nfs/dbraw/zinc/57/37/53/678573753.db2.gz QNFIIVNFPIVPLS-AXFHLTTASA-N 1 1 310.354 -1.379 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3cn[nH]n3)C[C@H]2C1 ZINC001049068443 678573790 /nfs/dbraw/zinc/57/37/90/678573790.db2.gz SPYMOTCJOFEVGZ-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]nn3)C[C@H]2C1 ZINC001049068443 678573792 /nfs/dbraw/zinc/57/37/92/678573792.db2.gz SPYMOTCJOFEVGZ-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]nn3)C[C@H]2C1 ZINC001049068443 678573794 /nfs/dbraw/zinc/57/37/94/678573794.db2.gz SPYMOTCJOFEVGZ-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049112135 678574046 /nfs/dbraw/zinc/57/40/46/678574046.db2.gz FMQNMTRHDRTYCZ-YVECIDJPSA-N 1 1 320.393 -1.066 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118019 678574210 /nfs/dbraw/zinc/57/42/10/678574210.db2.gz NAVZRUMISVVKLG-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049112132 678574219 /nfs/dbraw/zinc/57/42/19/678574219.db2.gz FMQNMTRHDRTYCZ-RNJOBUHISA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001049115011 678574447 /nfs/dbraw/zinc/57/44/47/678574447.db2.gz BSNKKHBYMCUISF-JFGNBEQYSA-N 1 1 304.354 -1.293 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2C1 ZINC001049116436 678574463 /nfs/dbraw/zinc/57/44/63/678574463.db2.gz PLWWRSLTJNJRHJ-MCIONIFRSA-N 1 1 324.425 -1.027 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118021 678574579 /nfs/dbraw/zinc/57/45/79/678574579.db2.gz NAVZRUMISVVKLG-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO C[NH+]1CCC(OCC(=O)N2C[C@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC001049136706 678575000 /nfs/dbraw/zinc/57/50/00/678575000.db2.gz YQDZOCRCKDAVRE-BETUJISGSA-N 1 1 324.425 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001049150097 678575025 /nfs/dbraw/zinc/57/50/25/678575025.db2.gz RDUHXBRRJRPGEQ-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049132745 678575287 /nfs/dbraw/zinc/57/52/87/678575287.db2.gz YCJCMZVOJJBKFV-TUAOUCFPSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC001049134820 678575384 /nfs/dbraw/zinc/57/53/84/678575384.db2.gz NZZOKRSKAOASIB-INTQDDNPSA-N 1 1 319.365 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC001049134818 678575413 /nfs/dbraw/zinc/57/54/13/678575413.db2.gz NZZOKRSKAOASIB-IEBDPFPHSA-N 1 1 319.365 -1.009 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1=O ZINC001049167265 678575997 /nfs/dbraw/zinc/57/59/97/678575997.db2.gz BYZODSAZMMRRPQ-TXEJJXNPSA-N 1 1 324.381 -1.347 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)C1=O ZINC001049179111 678576327 /nfs/dbraw/zinc/57/63/27/678576327.db2.gz PNVGPVSVVPJAKD-RNJOBUHISA-N 1 1 320.393 -1.114 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1=O ZINC001049169797 678576593 /nfs/dbraw/zinc/57/65/93/678576593.db2.gz VEEVZGILJBUZSK-AOOOYVTPSA-N 1 1 323.353 -2.244 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049179436 678576606 /nfs/dbraw/zinc/57/66/06/678576606.db2.gz WLUAVKGSGHTZHF-XQQFMLRXSA-N 1 1 318.381 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C[C@H]2C1 ZINC001049170275 678576649 /nfs/dbraw/zinc/57/66/49/678576649.db2.gz KXMNEOCPYFNRBC-MXWKQRLJSA-N 1 1 318.381 -1.215 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049178677 678576716 /nfs/dbraw/zinc/57/67/16/678576716.db2.gz IVZSMURCFRFEEM-USZNOCQGSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049194775 678576726 /nfs/dbraw/zinc/57/67/26/678576726.db2.gz JLPNPQKZTCCLRV-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049178678 678576894 /nfs/dbraw/zinc/57/68/94/678576894.db2.gz IVZSMURCFRFEEM-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001049196574 678577211 /nfs/dbraw/zinc/57/72/11/678577211.db2.gz NOUVTGTVADMEPR-QWRGUYRKSA-N 1 1 324.385 -1.211 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049203695 678577216 /nfs/dbraw/zinc/57/72/16/678577216.db2.gz DZGHAJJTPJNOJT-XQQFMLRXSA-N 1 1 318.381 -1.053 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c(=O)n1C ZINC001049197748 678577388 /nfs/dbraw/zinc/57/73/88/678577388.db2.gz QDHZCXAVFPTVJD-PHIMTYICSA-N 1 1 322.369 -2.234 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205324 678577790 /nfs/dbraw/zinc/57/77/90/678577790.db2.gz IDWMJBNJODZVNM-BBBLOLIVSA-N 1 1 323.353 -2.198 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049206353 678577829 /nfs/dbraw/zinc/57/78/29/678577829.db2.gz ZOZXGHYFZOMDLV-DTORHVGOSA-N 1 1 309.326 -2.586 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)no1 ZINC001049211627 678577872 /nfs/dbraw/zinc/57/78/72/678577872.db2.gz CUMVEPQOQYXWSP-AOOOYVTPSA-N 1 1 321.337 -1.203 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206431 678577926 /nfs/dbraw/zinc/57/79/26/678577926.db2.gz AMVNEPNRQLHXSE-KXUCPTDWSA-N 1 1 323.353 -2.150 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206780 678578035 /nfs/dbraw/zinc/57/80/35/678578035.db2.gz GHLPILUOPSLZEG-SDDRHHMPSA-N 1 1 309.366 -1.094 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049206312 678578229 /nfs/dbraw/zinc/57/82/29/678578229.db2.gz XPUQROORYNTOOH-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049221067 678578621 /nfs/dbraw/zinc/57/86/21/678578621.db2.gz RQNBHJCRRJCTKJ-OUAUKWLOSA-N 1 1 303.384 -1.939 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@H]2C1 ZINC001049219034 678578636 /nfs/dbraw/zinc/57/86/36/678578636.db2.gz CKZYBGVEHDUAHN-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO O=C([C@H]1CCCS1(=O)=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049224159 678578669 /nfs/dbraw/zinc/57/86/69/678578669.db2.gz BFRMNPBSUNRMFV-GRYCIOLGSA-N 1 1 302.396 -1.054 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222662 678578680 /nfs/dbraw/zinc/57/86/80/678578680.db2.gz PWEBGIGYLUIKFZ-FQUUOJAGSA-N 1 1 324.425 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC001049218077 678578956 /nfs/dbraw/zinc/57/89/56/678578956.db2.gz LUUATZXJVYNLCV-AOOOYVTPSA-N 1 1 305.338 -1.397 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222665 678579001 /nfs/dbraw/zinc/57/90/01/678579001.db2.gz PWEBGIGYLUIKFZ-YIYPIFLZSA-N 1 1 324.425 -1.029 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049253834 678579407 /nfs/dbraw/zinc/57/94/07/678579407.db2.gz BOHDKYZYCIVNAH-WHOHXGKFSA-N 1 1 309.366 -1.190 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]2C1 ZINC001049245943 678579424 /nfs/dbraw/zinc/57/94/24/678579424.db2.gz QGUOHNJUYLEEHB-PHIMTYICSA-N 1 1 317.349 -1.330 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254943 678579710 /nfs/dbraw/zinc/57/97/10/678579710.db2.gz SFSTYGARNIREHQ-XWLWVQCSSA-N 1 1 322.365 -1.697 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049312495 678579725 /nfs/dbraw/zinc/57/97/25/678579725.db2.gz DZOAALZZTQFOPG-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049239899 678579833 /nfs/dbraw/zinc/57/98/33/678579833.db2.gz JPOOECTZNNUFSB-FRRDWIJNSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049390334 678581733 /nfs/dbraw/zinc/58/17/33/678581733.db2.gz ZWJZGFDSZIOPJE-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429702 678582181 /nfs/dbraw/zinc/58/21/81/678582181.db2.gz WHOSHQFJMLPSIN-NXEZZACHSA-N 1 1 308.342 -1.466 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429702 678582183 /nfs/dbraw/zinc/58/21/83/678582183.db2.gz WHOSHQFJMLPSIN-NXEZZACHSA-N 1 1 308.342 -1.466 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COC(=O)N1 ZINC001049444363 678582299 /nfs/dbraw/zinc/58/22/99/678582299.db2.gz XCXRUUXJRWUUNC-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1COC(=O)N1 ZINC001049444363 678582300 /nfs/dbraw/zinc/58/23/00/678582300.db2.gz XCXRUUXJRWUUNC-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049430042 678582341 /nfs/dbraw/zinc/58/23/41/678582341.db2.gz YZHUISRYWVLZEW-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COC(=O)N1 ZINC001049444362 678582504 /nfs/dbraw/zinc/58/25/04/678582504.db2.gz XCXRUUXJRWUUNC-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1COC(=O)N1 ZINC001049444362 678582506 /nfs/dbraw/zinc/58/25/06/678582506.db2.gz XCXRUUXJRWUUNC-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429706 678582559 /nfs/dbraw/zinc/58/25/59/678582559.db2.gz WHOSHQFJMLPSIN-ZJUUUORDSA-N 1 1 308.342 -1.466 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429706 678582563 /nfs/dbraw/zinc/58/25/63/678582563.db2.gz WHOSHQFJMLPSIN-ZJUUUORDSA-N 1 1 308.342 -1.466 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469076 678582859 /nfs/dbraw/zinc/58/28/59/678582859.db2.gz KJPZUPNEIZKVAH-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469076 678582862 /nfs/dbraw/zinc/58/28/62/678582862.db2.gz KJPZUPNEIZKVAH-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)cc1=O ZINC001049527808 678582918 /nfs/dbraw/zinc/58/29/18/678582918.db2.gz AZVFLTHPWCXUQK-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)cc1=O ZINC001049527808 678582920 /nfs/dbraw/zinc/58/29/20/678582920.db2.gz AZVFLTHPWCXUQK-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)n1 ZINC001049482274 678583114 /nfs/dbraw/zinc/58/31/14/678583114.db2.gz LUWMLJXLTGTZAY-MNOVXSKESA-N 1 1 322.369 -1.565 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)c1=O ZINC001049560202 678583533 /nfs/dbraw/zinc/58/35/33/678583533.db2.gz BRIIXIMRCUEWEJ-GHMZBOCLSA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)c1=O ZINC001049560202 678583539 /nfs/dbraw/zinc/58/35/39/678583539.db2.gz BRIIXIMRCUEWEJ-GHMZBOCLSA-N 1 1 322.369 -1.868 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)CC1=O ZINC001049559423 678583675 /nfs/dbraw/zinc/58/36/75/678583675.db2.gz WRBCQEPSMOUQGC-KBPBESRZSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)CC1=O ZINC001049559430 678583695 /nfs/dbraw/zinc/58/36/95/678583695.db2.gz WRBCQEPSMOUQGC-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)c1=O ZINC001049560205 678583763 /nfs/dbraw/zinc/58/37/63/678583763.db2.gz BRIIXIMRCUEWEJ-MNOVXSKESA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)c1=O ZINC001049560205 678583765 /nfs/dbraw/zinc/58/37/65/678583765.db2.gz BRIIXIMRCUEWEJ-MNOVXSKESA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)c1=O ZINC001049560207 678583783 /nfs/dbraw/zinc/58/37/83/678583783.db2.gz BRIIXIMRCUEWEJ-QWRGUYRKSA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)c1=O ZINC001049560207 678583786 /nfs/dbraw/zinc/58/37/86/678583786.db2.gz BRIIXIMRCUEWEJ-QWRGUYRKSA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)ncc1=O ZINC001049604749 678583856 /nfs/dbraw/zinc/58/38/56/678583856.db2.gz HYHPATVMQGXKDV-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)ncc1=O ZINC001049604749 678583861 /nfs/dbraw/zinc/58/38/61/678583861.db2.gz HYHPATVMQGXKDV-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049634036 678584295 /nfs/dbraw/zinc/58/42/95/678584295.db2.gz CGZHONJJHCQIRJ-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049634036 678584298 /nfs/dbraw/zinc/58/42/98/678584298.db2.gz CGZHONJJHCQIRJ-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640816 678584425 /nfs/dbraw/zinc/58/44/25/678584425.db2.gz XCMAVHXYOUXJBN-MJBXVCDLSA-N 1 1 324.425 -1.136 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651866 678584537 /nfs/dbraw/zinc/58/45/37/678584537.db2.gz NLJRTOWNBKYWNN-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651866 678584539 /nfs/dbraw/zinc/58/45/39/678584539.db2.gz NLJRTOWNBKYWNN-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)NC1=O ZINC001049637767 678584625 /nfs/dbraw/zinc/58/46/25/678584625.db2.gz YYBKUWLRBZOFOX-OUAUKWLOSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)NC1=O ZINC001049637767 678584628 /nfs/dbraw/zinc/58/46/28/678584628.db2.gz YYBKUWLRBZOFOX-OUAUKWLOSA-N 1 1 309.370 -1.439 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049682971 678584909 /nfs/dbraw/zinc/58/49/09/678584909.db2.gz YSSQFCZNGWGGGB-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049682971 678584913 /nfs/dbraw/zinc/58/49/13/678584913.db2.gz YSSQFCZNGWGGGB-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782579 678584962 /nfs/dbraw/zinc/58/49/62/678584962.db2.gz LGRMQHHFVIYKMT-QWRGUYRKSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782579 678584964 /nfs/dbraw/zinc/58/49/64/678584964.db2.gz LGRMQHHFVIYKMT-QWRGUYRKSA-N 1 1 322.365 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049682968 678585173 /nfs/dbraw/zinc/58/51/73/678585173.db2.gz YSSQFCZNGWGGGB-GARJFASQSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049682968 678585176 /nfs/dbraw/zinc/58/51/76/678585176.db2.gz YSSQFCZNGWGGGB-GARJFASQSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049691743 678585196 /nfs/dbraw/zinc/58/51/96/678585196.db2.gz OEEYMWKSMGMMPL-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049691743 678585199 /nfs/dbraw/zinc/58/51/99/678585199.db2.gz OEEYMWKSMGMMPL-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049687843 678585321 /nfs/dbraw/zinc/58/53/21/678585321.db2.gz NJODTTBZNXZYIX-WDEREUQCSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049682032 678585355 /nfs/dbraw/zinc/58/53/55/678585355.db2.gz CPULWGWBAPZHMH-NXEZZACHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)Cn1cccn1 ZINC001049687576 678585444 /nfs/dbraw/zinc/58/54/44/678585444.db2.gz LXFMKXBKJGNSNR-XQQFMLRXSA-N 1 1 321.381 -1.205 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790340 678585732 /nfs/dbraw/zinc/58/57/32/678585732.db2.gz KXPQDAHUAGKCEQ-SRVKXCTJSA-N 1 1 324.381 -1.016 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805688 678585962 /nfs/dbraw/zinc/58/59/62/678585962.db2.gz LEJRUQPROOUQCW-WDEREUQCSA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805688 678585965 /nfs/dbraw/zinc/58/59/65/678585965.db2.gz LEJRUQPROOUQCW-WDEREUQCSA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885538 678586235 /nfs/dbraw/zinc/58/62/35/678586235.db2.gz NYGXTWLZKYXJAK-NXEZZACHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885538 678586237 /nfs/dbraw/zinc/58/62/37/678586237.db2.gz NYGXTWLZKYXJAK-NXEZZACHSA-N 1 1 323.353 -1.911 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049884694 678586390 /nfs/dbraw/zinc/58/63/90/678586390.db2.gz KZKPCGXVFPYLNL-SRVKXCTJSA-N 1 1 324.381 -1.016 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890624 678586536 /nfs/dbraw/zinc/58/65/36/678586536.db2.gz XENWDPGDTCMTJN-QWRGUYRKSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890624 678586540 /nfs/dbraw/zinc/58/65/40/678586540.db2.gz XENWDPGDTCMTJN-QWRGUYRKSA-N 1 1 322.365 -1.314 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)ccc1=O ZINC001049875700 678586590 /nfs/dbraw/zinc/58/65/90/678586590.db2.gz GESHBJKVDUDYOE-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)ccc1=O ZINC001049875700 678586594 /nfs/dbraw/zinc/58/65/94/678586594.db2.gz GESHBJKVDUDYOE-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)C1=O ZINC001049887136 678586603 /nfs/dbraw/zinc/58/66/03/678586603.db2.gz VMRFSJFKPMBQOA-NWDGAFQWSA-N 1 1 324.381 -1.062 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)c(=O)n1C ZINC001049869226 678586633 /nfs/dbraw/zinc/58/66/33/678586633.db2.gz DZFTZIJOLXCVPP-OLZOCXBDSA-N 1 1 323.397 -1.052 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)n(C)c1=O ZINC001049918766 678586687 /nfs/dbraw/zinc/58/66/87/678586687.db2.gz SSWSMLOFBKCURA-QWRGUYRKSA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)n(C)c1=O ZINC001049918766 678586690 /nfs/dbraw/zinc/58/66/90/678586690.db2.gz SSWSMLOFBKCURA-QWRGUYRKSA-N 1 1 321.381 -1.112 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049880695 678586725 /nfs/dbraw/zinc/58/67/25/678586725.db2.gz DMXUCMFYDUHIEK-RYUDHWBXSA-N 1 1 324.381 -1.014 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)ccc1=O ZINC001049875703 678586753 /nfs/dbraw/zinc/58/67/53/678586753.db2.gz GESHBJKVDUDYOE-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)ccc1=O ZINC001049875703 678586755 /nfs/dbraw/zinc/58/67/55/678586755.db2.gz GESHBJKVDUDYOE-VXGBXAGGSA-N 1 1 319.365 -1.056 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049901271 678586761 /nfs/dbraw/zinc/58/67/61/678586761.db2.gz YCLQNEZFKRULCP-TUAOUCFPSA-N 1 1 317.411 -1.264 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049970214 678587074 /nfs/dbraw/zinc/58/70/74/678587074.db2.gz YECKMTNHBOFNAR-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049967269 678587316 /nfs/dbraw/zinc/58/73/16/678587316.db2.gz IUAYHQUTZSLIMB-QJPTWQEYSA-N 1 1 321.385 -1.140 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001052671306 678588312 /nfs/dbraw/zinc/58/83/12/678588312.db2.gz MZINFJIOSWCGIG-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001052670819 678588460 /nfs/dbraw/zinc/58/84/60/678588460.db2.gz IFGDVEUSLNSNCK-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001052670819 678588465 /nfs/dbraw/zinc/58/84/65/678588465.db2.gz IFGDVEUSLNSNCK-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052673805 678588961 /nfs/dbraw/zinc/58/89/61/678588961.db2.gz DHWIGBVCYGQDNU-WDEREUQCSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001052707969 678588983 /nfs/dbraw/zinc/58/89/83/678588983.db2.gz PWCZSCHDDCCTRV-GARJFASQSA-N 1 1 312.370 -1.525 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)CC1)[C@H]1CNC(=O)N1 ZINC001052671955 678589145 /nfs/dbraw/zinc/58/91/45/678589145.db2.gz QYRSTJHJACIHPM-NWDGAFQWSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001052678991 678589274 /nfs/dbraw/zinc/58/92/74/678589274.db2.gz DRXNWLJTXDNOGE-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001052673804 678589304 /nfs/dbraw/zinc/58/93/04/678589304.db2.gz DHWIGBVCYGQDNU-QWRGUYRKSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001052678990 678589339 /nfs/dbraw/zinc/58/93/39/678589339.db2.gz DRXNWLJTXDNOGE-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001052751392 678589360 /nfs/dbraw/zinc/58/93/60/678589360.db2.gz CNGONGIGRFENND-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC001052785011 678589677 /nfs/dbraw/zinc/58/96/77/678589677.db2.gz BALSXSTUISJNKD-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052790974 678589690 /nfs/dbraw/zinc/58/96/90/678589690.db2.gz RVULSVZECGTRLM-GXSJLCMTSA-N 1 1 324.381 -1.116 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052797173 678589817 /nfs/dbraw/zinc/58/98/17/678589817.db2.gz HWWNOGKQXGHNCJ-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792833 678589837 /nfs/dbraw/zinc/58/98/37/678589837.db2.gz UJJSGHAAEYPOMZ-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052797168 678589940 /nfs/dbraw/zinc/58/99/40/678589940.db2.gz HWWNOGKQXGHNCJ-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921177 678591080 /nfs/dbraw/zinc/59/10/80/678591080.db2.gz HCIPMWMZNNRAIK-SECBINFHSA-N 1 1 320.353 -1.355 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921177 678591081 /nfs/dbraw/zinc/59/10/81/678591081.db2.gz HCIPMWMZNNRAIK-SECBINFHSA-N 1 1 320.353 -1.355 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)n(C)c1=O ZINC001052961198 678591680 /nfs/dbraw/zinc/59/16/80/678591680.db2.gz JXIZPDMAPOZZOW-SNVBAGLBSA-N 1 1 309.370 -1.207 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)nn1 ZINC001052959888 678591769 /nfs/dbraw/zinc/59/17/69/678591769.db2.gz ZOXXOXWIEKPSRI-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052957001 678591788 /nfs/dbraw/zinc/59/17/88/678591788.db2.gz CBINOYWNDRYYLI-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052958735 678591796 /nfs/dbraw/zinc/59/17/96/678591796.db2.gz OKBXQMKDOWSWEK-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052977786 678592050 /nfs/dbraw/zinc/59/20/50/678592050.db2.gz MZNQWMQWIMCAHD-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052958730 678592079 /nfs/dbraw/zinc/59/20/79/678592079.db2.gz OKBXQMKDOWSWEK-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)C(N)=O)C1 ZINC001052986726 678592647 /nfs/dbraw/zinc/59/26/47/678592647.db2.gz IWNFMMCPHULOFU-GXSJLCMTSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C1 ZINC001052986728 678592730 /nfs/dbraw/zinc/59/27/30/678592730.db2.gz IWNFMMCPHULOFU-KOLCDFICSA-N 1 1 307.354 -1.112 20 0 DAADMO C[C@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053189958 678594626 /nfs/dbraw/zinc/59/46/26/678594626.db2.gz HHSBTJKPURXSIW-NEPJUHHUSA-N 1 1 310.398 -1.132 20 0 DAADMO C[C@@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053189960 678594732 /nfs/dbraw/zinc/59/47/32/678594732.db2.gz HHSBTJKPURXSIW-RYUDHWBXSA-N 1 1 310.398 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053202736 678595597 /nfs/dbraw/zinc/59/55/97/678595597.db2.gz GLPDDIVJXUORRT-LLVKDONJSA-N 1 1 312.370 -2.285 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053202736 678595598 /nfs/dbraw/zinc/59/55/98/678595598.db2.gz GLPDDIVJXUORRT-LLVKDONJSA-N 1 1 312.370 -2.285 20 0 DAADMO O=C(Cn1ncnn1)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053258213 678597305 /nfs/dbraw/zinc/59/73/05/678597305.db2.gz YBNNXENXDRWOTE-GFCCVEGCSA-N 1 1 322.369 -1.377 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1)C1CCC1 ZINC001053289460 678598241 /nfs/dbraw/zinc/59/82/41/678598241.db2.gz SPGBJDPZNDMDEL-UHFFFAOYSA-N 1 1 310.398 -1.131 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001053312434 678599493 /nfs/dbraw/zinc/59/94/93/678599493.db2.gz MYBHNBPHKGTEES-KOLCDFICSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001053312436 678599586 /nfs/dbraw/zinc/59/95/86/678599586.db2.gz MYBHNBPHKGTEES-MWLCHTKSSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001053317999 678600493 /nfs/dbraw/zinc/60/04/93/678600493.db2.gz SKOBUNZQNCLAFM-GXSJLCMTSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001053318001 678600647 /nfs/dbraw/zinc/60/06/47/678600647.db2.gz SKOBUNZQNCLAFM-MWLCHTKSSA-N 1 1 307.354 -1.112 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053402252 678602963 /nfs/dbraw/zinc/60/29/63/678602963.db2.gz ITNQPMQAWGTQTP-NEPJUHHUSA-N 1 1 324.381 -1.383 20 0 DAADMO Cn1nnc(C(=O)N2CCOC3(C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001053385418 678603196 /nfs/dbraw/zinc/60/31/96/678603196.db2.gz YVYOMZAJWXHSTI-LLVKDONJSA-N 1 1 322.369 -1.227 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429552 678604497 /nfs/dbraw/zinc/60/44/97/678604497.db2.gz SJSYIEFPSKOEBJ-CHWSQXEVSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCOC2(CN(CCO)C2)C1 ZINC001053473031 678605492 /nfs/dbraw/zinc/60/54/92/678605492.db2.gz UWSHTTHQUIFGPV-UHFFFAOYSA-N 1 1 313.398 -1.386 20 0 DAADMO NC(=O)CN1CC2(C1)CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CCO2 ZINC001053518901 678607383 /nfs/dbraw/zinc/60/73/83/678607383.db2.gz FSTQKTATZNFYIF-HNNXBMFYSA-N 1 1 322.409 -1.129 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CN([C@H]4CCNC4=O)C3)C2)C1 ZINC001053531319 678607974 /nfs/dbraw/zinc/60/79/74/678607974.db2.gz OJKFCMWBENIXHT-OLZOCXBDSA-N 1 1 322.409 -1.260 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC2(CN([C@H](C)C(N)=O)C2)C1 ZINC001053532380 678607979 /nfs/dbraw/zinc/60/79/79/678607979.db2.gz KGJMPLLOGLGFQI-LLVKDONJSA-N 1 1 321.381 -1.021 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CCO)C3)C2)C1 ZINC001053538324 678608510 /nfs/dbraw/zinc/60/85/10/678608510.db2.gz YOGQIHZIWNLBDU-CYBMUJFWSA-N 1 1 313.398 -1.387 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CCO)C3)C2)C1 ZINC001053538324 678608513 /nfs/dbraw/zinc/60/85/13/678608513.db2.gz YOGQIHZIWNLBDU-CYBMUJFWSA-N 1 1 313.398 -1.387 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586857 678608980 /nfs/dbraw/zinc/60/89/80/678608980.db2.gz YLFWTWCZVGHVKI-STQMWFEESA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586857 678608985 /nfs/dbraw/zinc/60/89/85/678608985.db2.gz YLFWTWCZVGHVKI-STQMWFEESA-N 1 1 313.398 -1.341 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(C)n1)O2 ZINC001053646923 678610324 /nfs/dbraw/zinc/61/03/24/678610324.db2.gz IAOZMBHAQXUFIF-UWVGGRQHSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)n1 ZINC001053646866 678610405 /nfs/dbraw/zinc/61/04/05/678610405.db2.gz GUMXXZWZLOAURA-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053663273 678610875 /nfs/dbraw/zinc/61/08/75/678610875.db2.gz KYADCZQDVYFPSR-UTUOFQBUSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001053663272 678610972 /nfs/dbraw/zinc/61/09/72/678610972.db2.gz KYADCZQDVYFPSR-TUAOUCFPSA-N 1 1 311.382 -1.160 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053757975 678613162 /nfs/dbraw/zinc/61/31/62/678613162.db2.gz IOARIMSFEFGJOX-NEPJUHHUSA-N 1 1 310.398 -1.214 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)CO2 ZINC001053805246 678615832 /nfs/dbraw/zinc/61/58/32/678615832.db2.gz NCSAZNRYFKFOEL-JTQLQIEISA-N 1 1 322.369 -1.254 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053831673 678616666 /nfs/dbraw/zinc/61/66/66/678616666.db2.gz MFPILHIAYMEQBV-MNOVXSKESA-N 1 1 322.365 -1.046 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053852950 678617958 /nfs/dbraw/zinc/61/79/58/678617958.db2.gz TZDJSWZTLABWDW-NSHDSACASA-N 1 1 309.370 -1.049 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053872223 678619292 /nfs/dbraw/zinc/61/92/92/678619292.db2.gz UYGQLYRGHHXCEF-LLVKDONJSA-N 1 1 307.354 -1.364 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053872135 678619425 /nfs/dbraw/zinc/61/94/25/678619425.db2.gz SXCUSKCFKWSHEF-LBPRGKRZSA-N 1 1 321.381 -1.103 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053872134 678619472 /nfs/dbraw/zinc/61/94/72/678619472.db2.gz SXCUSKCFKWSHEF-GFCCVEGCSA-N 1 1 321.381 -1.103 20 0 DAADMO NC(=O)C(=O)N[C@H]1COC2(C[NH+](C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001053911947 678622314 /nfs/dbraw/zinc/62/23/14/678622314.db2.gz QLLJTTZDFIFCJT-GHMZBOCLSA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053924747 678623194 /nfs/dbraw/zinc/62/31/94/678623194.db2.gz BUIBHJZCMHTUNA-NWDGAFQWSA-N 1 1 310.398 -1.227 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053924748 678623203 /nfs/dbraw/zinc/62/32/03/678623203.db2.gz BUIBHJZCMHTUNA-RYUDHWBXSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(N[C@H]1COC2(C[NH+](CC3CC3)C2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001053940450 678624078 /nfs/dbraw/zinc/62/40/78/678624078.db2.gz DPFPGAKMGDVUJA-MNOVXSKESA-N 1 1 322.365 -1.046 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053959131 678624531 /nfs/dbraw/zinc/62/45/31/678624531.db2.gz SCPHXWJNLWVPFQ-SNVBAGLBSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053958669 678624705 /nfs/dbraw/zinc/62/47/05/678624705.db2.gz JPYVFYAKEJWYGQ-LLVKDONJSA-N 1 1 322.365 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053982976 678626252 /nfs/dbraw/zinc/62/62/52/678626252.db2.gz SLJQKBJQBFVJET-NWDGAFQWSA-N 1 1 310.398 -1.227 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054008126 678627363 /nfs/dbraw/zinc/62/73/63/678627363.db2.gz SZFZZIDJXCFDQI-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054008128 678627475 /nfs/dbraw/zinc/62/74/75/678627475.db2.gz SZFZZIDJXCFDQI-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001054007331 678627614 /nfs/dbraw/zinc/62/76/14/678627614.db2.gz CJTLEJNXSPJWRN-NSHDSACASA-N 1 1 307.354 -1.364 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082262 678629058 /nfs/dbraw/zinc/62/90/58/678629058.db2.gz HMBQMJHSPWHDOS-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186773 678629090 /nfs/dbraw/zinc/62/90/90/678629090.db2.gz DPZPLGWDESMXLO-IINYFYTJSA-N 1 1 309.370 -1.532 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054175810 678629299 /nfs/dbraw/zinc/62/92/99/678629299.db2.gz WHDPJSLCTCMQGT-INIZCTEOSA-N 1 1 324.425 -1.275 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054188092 678629375 /nfs/dbraw/zinc/62/93/75/678629375.db2.gz GSQGGRLHNKRHBS-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCNC1=O)C2 ZINC001054177738 678629489 /nfs/dbraw/zinc/62/94/89/678629489.db2.gz QTURALSKNOYLTP-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054188001 678629553 /nfs/dbraw/zinc/62/95/53/678629553.db2.gz DYHQWGLWWWIENL-HNNXBMFYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186772 678629571 /nfs/dbraw/zinc/62/95/71/678629571.db2.gz DPZPLGWDESMXLO-HZMBPMFUSA-N 1 1 309.370 -1.532 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054147053 678629578 /nfs/dbraw/zinc/62/95/78/678629578.db2.gz ZGDLXDBLZWLYOA-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054147052 678629589 /nfs/dbraw/zinc/62/95/89/678629589.db2.gz ZGDLXDBLZWLYOA-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054236142 678629974 /nfs/dbraw/zinc/62/99/74/678629974.db2.gz DTCUHRJVDYHGIC-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054366041 678630060 /nfs/dbraw/zinc/63/00/60/678630060.db2.gz JSPUYHGHGFFFMU-GXSJLCMTSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054367223 678630592 /nfs/dbraw/zinc/63/05/92/678630592.db2.gz PDJUAISCSDYVCE-IUCAKERBSA-N 1 1 306.334 -2.167 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054367929 678630617 /nfs/dbraw/zinc/63/06/17/678630617.db2.gz TZXPSZXJMYBXIP-VHSXEESVSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054394801 678630628 /nfs/dbraw/zinc/63/06/28/678630628.db2.gz RCAOBZJYOYLLHG-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)[nH]1 ZINC001054369893 678630721 /nfs/dbraw/zinc/63/07/21/678630721.db2.gz MWGNOIHJHIUHDF-SCZZXKLOSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054367925 678630771 /nfs/dbraw/zinc/63/07/71/678630771.db2.gz TZXPSZXJMYBXIP-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054367927 678630902 /nfs/dbraw/zinc/63/09/02/678630902.db2.gz TZXPSZXJMYBXIP-UWVGGRQHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054500878 678631337 /nfs/dbraw/zinc/63/13/37/678631337.db2.gz SOIFWNPHJLGXTO-VHSXEESVSA-N 1 1 322.369 -1.380 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054580368 678631990 /nfs/dbraw/zinc/63/19/90/678631990.db2.gz MCXYGYPJWDLRLE-UWVGGRQHSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054584168 678632005 /nfs/dbraw/zinc/63/20/05/678632005.db2.gz XKHWHJZLLBNDKN-UWVGGRQHSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054584747 678632052 /nfs/dbraw/zinc/63/20/52/678632052.db2.gz XWGLWIDMADECKW-ONGXEEELSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054584719 678632089 /nfs/dbraw/zinc/63/20/89/678632089.db2.gz XWGLWIDMADECKW-GXSJLCMTSA-N 1 1 320.357 -1.251 20 0 DAADMO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001054524194 678632187 /nfs/dbraw/zinc/63/21/87/678632187.db2.gz LLNQZPKUKKEFPG-PSASIEDQSA-N 1 1 319.373 -1.103 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054506053 678632304 /nfs/dbraw/zinc/63/23/04/678632304.db2.gz JGBGVOMJFLRLKH-ZJUUUORDSA-N 1 1 309.374 -1.105 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054618310 678632590 /nfs/dbraw/zinc/63/25/90/678632590.db2.gz KQFNMTOZLVJCSN-IUCAKERBSA-N 1 1 305.346 -1.411 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001054603513 678632615 /nfs/dbraw/zinc/63/26/15/678632615.db2.gz XHRKEKRRLWVWSI-JOYOIKCWSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054604160 678632640 /nfs/dbraw/zinc/63/26/40/678632640.db2.gz YZIVDWCCZKBGPX-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054622323 678632647 /nfs/dbraw/zinc/63/26/47/678632647.db2.gz OBLVNYVQWLBJLW-BDAKNGLRSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054622328 678632830 /nfs/dbraw/zinc/63/28/30/678632830.db2.gz OBLVNYVQWLBJLW-DTWKUNHWSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054588929 678632951 /nfs/dbraw/zinc/63/29/51/678632951.db2.gz UUPCRSPQMSVPQZ-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054646472 678633236 /nfs/dbraw/zinc/63/32/36/678633236.db2.gz BYBVOGZMHAYJLA-GXSJLCMTSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054622334 678633268 /nfs/dbraw/zinc/63/32/68/678633268.db2.gz OBLVNYVQWLBJLW-RKDXNWHRSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054646768 678633380 /nfs/dbraw/zinc/63/33/80/678633380.db2.gz DDPKWXCKHMDSQH-GXSJLCMTSA-N 1 1 305.346 -1.562 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@H]([NH2+]Cc3nnnn3C)[C@@H](C)C2)[nH]1 ZINC001054634823 678633390 /nfs/dbraw/zinc/63/33/90/678633390.db2.gz LEXCSPWDVOXRCR-WPRPVWTQSA-N 1 1 319.373 -1.184 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001054649432 678633403 /nfs/dbraw/zinc/63/34/03/678633403.db2.gz NEBCEGXQQNYWFN-MNOVXSKESA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054646516 678633409 /nfs/dbraw/zinc/63/34/09/678633409.db2.gz CCYSYNFSTOKOHM-IUCAKERBSA-N 1 1 306.334 -2.167 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054646513 678633423 /nfs/dbraw/zinc/63/34/23/678633423.db2.gz CCYSYNFSTOKOHM-BDAKNGLRSA-N 1 1 306.334 -2.167 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001054634817 678633502 /nfs/dbraw/zinc/63/35/02/678633502.db2.gz LEXCSPWDVOXRCR-PSASIEDQSA-N 1 1 319.373 -1.184 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054650833 678634076 /nfs/dbraw/zinc/63/40/76/678634076.db2.gz SXLVRYXLZKBBSQ-UWVGGRQHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054767900 678634735 /nfs/dbraw/zinc/63/47/35/678634735.db2.gz RZIZLGYXVLHSLV-WCBMZHEXSA-N 1 1 318.341 -1.044 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C)[nH]1 ZINC001054982624 678637073 /nfs/dbraw/zinc/63/70/73/678637073.db2.gz ZSBMNJVLNPXYHF-IONNQARKSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054974416 678637100 /nfs/dbraw/zinc/63/71/00/678637100.db2.gz SOKMOHATACJVEA-BDAKNGLRSA-N 1 1 320.357 -1.101 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001055019664 678637493 /nfs/dbraw/zinc/63/74/93/678637493.db2.gz CCGYBQAFIBPIGR-IUCAKERBSA-N 1 1 309.374 -1.150 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001055023583 678637810 /nfs/dbraw/zinc/63/78/10/678637810.db2.gz QZVRLQBXJPELTK-HTQZYQBOSA-N 1 1 316.312 -1.035 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055027517 678637828 /nfs/dbraw/zinc/63/78/28/678637828.db2.gz XQYPKAXNADQOKL-UWVGGRQHSA-N 1 1 309.374 -1.105 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001055022233 678637847 /nfs/dbraw/zinc/63/78/47/678637847.db2.gz BGRKNZVCWHNNMD-BDAKNGLRSA-N 1 1 308.342 -1.770 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@H]3C2)C1 ZINC001055159146 678639166 /nfs/dbraw/zinc/63/91/66/678639166.db2.gz ZYCALDYSDXWIKT-SDDRHHMPSA-N 1 1 323.397 -1.477 20 0 DAADMO COCC(=O)NCC[NH+]1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001055495249 678641219 /nfs/dbraw/zinc/64/12/19/678641219.db2.gz MLMDTTSQYZNJPA-UHFFFAOYSA-N 1 1 324.385 -1.310 20 0 DAADMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)no1 ZINC001055512748 678641552 /nfs/dbraw/zinc/64/15/52/678641552.db2.gz UHYKRTHIBCUSAX-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055601830 678642240 /nfs/dbraw/zinc/64/22/40/678642240.db2.gz DEDIXFUQUPLZFC-UHFFFAOYSA-N 1 1 323.353 -1.140 20 0 DAADMO Cn1nccc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627913 678642817 /nfs/dbraw/zinc/64/28/17/678642817.db2.gz YSFVMXCKINOIQT-UHFFFAOYSA-N 1 1 322.369 -1.784 20 0 DAADMO COCCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627850 678642903 /nfs/dbraw/zinc/64/29/03/678642903.db2.gz WCYFQYZBVAQGOH-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO CSCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627847 678642957 /nfs/dbraw/zinc/64/29/57/678642957.db2.gz WBQGXRFWNYNPCY-UHFFFAOYSA-N 1 1 302.400 -1.469 20 0 DAADMO CCO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627859 678643053 /nfs/dbraw/zinc/64/30/53/678643053.db2.gz WTZOGGPGOIRKBV-JTQLQIEISA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)no1 ZINC001055626808 678643180 /nfs/dbraw/zinc/64/31/80/678643180.db2.gz HOELKQDTLQLORV-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)nn1 ZINC001055628918 678643521 /nfs/dbraw/zinc/64/35/21/678643521.db2.gz LJXJSWBSQGABIG-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629449 678643544 /nfs/dbraw/zinc/64/35/44/678643544.db2.gz APEFCAQQOPOEPQ-UHFFFAOYSA-N 1 1 323.357 -2.091 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001055629266 678643550 /nfs/dbraw/zinc/64/35/50/678643550.db2.gz SKOYSIJNBUEJMM-UHFFFAOYSA-N 1 1 323.357 -2.540 20 0 DAADMO Cc1cnoc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628390 678643654 /nfs/dbraw/zinc/64/36/54/678643654.db2.gz CPTHOCYSITUEMV-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO Cc1n[nH]cc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629592 678643793 /nfs/dbraw/zinc/64/37/93/678643793.db2.gz FATMZEYAOISMGV-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO Cn1ccc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)c1 ZINC001055629007 678643891 /nfs/dbraw/zinc/64/38/91/678643891.db2.gz MJRHSVFDDZCRSV-UHFFFAOYSA-N 1 1 321.381 -1.179 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056088225 678657199 /nfs/dbraw/zinc/65/71/99/678657199.db2.gz RKHHDCJDVVOQNM-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC(=O)C(N)=O)C2)C1 ZINC001056089727 678657940 /nfs/dbraw/zinc/65/79/40/678657940.db2.gz SATWJSKEPDRCAP-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001056738331 678665348 /nfs/dbraw/zinc/66/53/48/678665348.db2.gz XGOJJYIISFHVMD-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)O1 ZINC001056752211 678666641 /nfs/dbraw/zinc/66/66/41/678666641.db2.gz MDDPJMUXXPFADR-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)O1 ZINC001056752211 678666644 /nfs/dbraw/zinc/66/66/44/678666644.db2.gz MDDPJMUXXPFADR-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(C)(F)F)C1 ZINC001056782303 678667852 /nfs/dbraw/zinc/66/78/52/678667852.db2.gz NDJYSTJBSJEDTP-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(C)(F)F)C1 ZINC001056782303 678667855 /nfs/dbraw/zinc/66/78/55/678667855.db2.gz NDJYSTJBSJEDTP-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001056789842 678668726 /nfs/dbraw/zinc/66/87/26/678668726.db2.gz DFRIBADQGHYHDM-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000114509 678670751 /nfs/dbraw/zinc/67/07/51/678670751.db2.gz CHMMQCDTUUYCPN-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001056816262 678672768 /nfs/dbraw/zinc/67/27/68/678672768.db2.gz UKBSFXFBHVVMLP-LBPRGKRZSA-N 1 1 314.386 -1.989 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056918958 678678418 /nfs/dbraw/zinc/67/84/18/678678418.db2.gz AYOBEXJNRMANFC-UHFFFAOYSA-N 1 1 317.390 -2.068 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)C1 ZINC001056919008 678678518 /nfs/dbraw/zinc/67/85/18/678678518.db2.gz CGIBYBPBJBDIDM-SNVBAGLBSA-N 1 1 315.374 -2.457 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001056936458 678681130 /nfs/dbraw/zinc/68/11/30/678681130.db2.gz ZPJHECTZFKAQRO-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2cccn2)C1 ZINC001056970383 678682746 /nfs/dbraw/zinc/68/27/46/678682746.db2.gz NOSQXNOAOGMCAL-ZDUSSCGKSA-N 1 1 323.397 -1.228 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000865025 678682952 /nfs/dbraw/zinc/68/29/52/678682952.db2.gz YFIDWVQOSFEORC-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)ncc1=O ZINC001000971393 678684511 /nfs/dbraw/zinc/68/45/11/678684511.db2.gz AOGFBBYNOSZVAM-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)ncc1=O ZINC001000971393 678684515 /nfs/dbraw/zinc/68/45/15/678684515.db2.gz AOGFBBYNOSZVAM-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2ccc3nnnn3c2)CC1 ZINC001000945162 678684729 /nfs/dbraw/zinc/68/47/29/678684729.db2.gz ZQOXVRCWUQRHEC-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc3nnnn3c2)CC1 ZINC001000945162 678684731 /nfs/dbraw/zinc/68/47/31/678684731.db2.gz ZQOXVRCWUQRHEC-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057112611 678692308 /nfs/dbraw/zinc/69/23/08/678692308.db2.gz PHYPFGXNZRFBCV-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057112611 678692311 /nfs/dbraw/zinc/69/23/11/678692311.db2.gz PHYPFGXNZRFBCV-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057112609 678692390 /nfs/dbraw/zinc/69/23/90/678692390.db2.gz PHYPFGXNZRFBCV-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057112609 678692391 /nfs/dbraw/zinc/69/23/91/678692391.db2.gz PHYPFGXNZRFBCV-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 ZINC001057209249 678699175 /nfs/dbraw/zinc/69/91/75/678699175.db2.gz LRDPEGLADBKBHR-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057209599 678699372 /nfs/dbraw/zinc/69/93/72/678699372.db2.gz RZHLBTDFWQXIRB-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001057212568 678699689 /nfs/dbraw/zinc/69/96/89/678699689.db2.gz QFSKZPSSVAEQGA-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001057212843 678699708 /nfs/dbraw/zinc/69/97/08/678699708.db2.gz XLCWQFDAMMQJBU-GFCCVEGCSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001057213428 678699855 /nfs/dbraw/zinc/69/98/55/678699855.db2.gz IFJCKUKRDYJFME-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1ccnc1 ZINC001057213739 678700167 /nfs/dbraw/zinc/70/01/67/678700167.db2.gz OAXYPBGDBRTICE-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057244838 678703580 /nfs/dbraw/zinc/70/35/80/678703580.db2.gz CMGQHQIKSHCUKL-MNOVXSKESA-N 1 1 314.386 -2.003 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057245399 678703632 /nfs/dbraw/zinc/70/36/32/678703632.db2.gz ZHEBKYCIIZMLPS-LLVKDONJSA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057244840 678703790 /nfs/dbraw/zinc/70/37/90/678703790.db2.gz CMGQHQIKSHCUKL-WDEREUQCSA-N 1 1 314.386 -2.003 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001050049270 678704438 /nfs/dbraw/zinc/70/44/38/678704438.db2.gz XTSVBHUKWPXCLW-QJPTWQEYSA-N 1 1 319.369 -1.516 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057246842 678704452 /nfs/dbraw/zinc/70/44/52/678704452.db2.gz RIUANUZDODEMLU-UHFFFAOYSA-N 1 1 311.342 -1.996 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001050083253 678705364 /nfs/dbraw/zinc/70/53/64/678705364.db2.gz SGCIRCMQNZJKIU-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001050083253 678705367 /nfs/dbraw/zinc/70/53/67/678705367.db2.gz SGCIRCMQNZJKIU-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC001050081615 678705448 /nfs/dbraw/zinc/70/54/48/678705448.db2.gz JWJBKIASAFIDOH-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001050063455 678705615 /nfs/dbraw/zinc/70/56/15/678705615.db2.gz ZCXJVZMJIMTNDZ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001050063455 678705617 /nfs/dbraw/zinc/70/56/17/678705617.db2.gz ZCXJVZMJIMTNDZ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001050083254 678705620 /nfs/dbraw/zinc/70/56/20/678705620.db2.gz SGCIRCMQNZJKIU-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001050083254 678705621 /nfs/dbraw/zinc/70/56/21/678705621.db2.gz SGCIRCMQNZJKIU-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057263032 678706009 /nfs/dbraw/zinc/70/60/09/678706009.db2.gz CNJYCYRLLJZTQR-SECBINFHSA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057263032 678706010 /nfs/dbraw/zinc/70/60/10/678706010.db2.gz CNJYCYRLLJZTQR-SECBINFHSA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(F)F)C1 ZINC001057263237 678706081 /nfs/dbraw/zinc/70/60/81/678706081.db2.gz GRUBQRGFZNVOBC-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(F)F)C1 ZINC001057263237 678706082 /nfs/dbraw/zinc/70/60/82/678706082.db2.gz GRUBQRGFZNVOBC-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057264543 678706687 /nfs/dbraw/zinc/70/66/87/678706687.db2.gz BAHUIQDOBRRBMR-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057264543 678706690 /nfs/dbraw/zinc/70/66/90/678706690.db2.gz BAHUIQDOBRRBMR-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050129777 678706778 /nfs/dbraw/zinc/70/67/78/678706778.db2.gz YCHLAEBTKHAXNS-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057264544 678707072 /nfs/dbraw/zinc/70/70/72/678707072.db2.gz BAHUIQDOBRRBMR-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057264544 678707076 /nfs/dbraw/zinc/70/70/76/678707076.db2.gz BAHUIQDOBRRBMR-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057263675 678707083 /nfs/dbraw/zinc/70/70/83/678707083.db2.gz NLUCMHBIDFQYJR-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057263675 678707087 /nfs/dbraw/zinc/70/70/87/678707087.db2.gz NLUCMHBIDFQYJR-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001050129174 678707100 /nfs/dbraw/zinc/70/71/00/678707100.db2.gz DJIQGKYRYRRKRI-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001050129251 678707150 /nfs/dbraw/zinc/70/71/50/678707150.db2.gz HMIKCUHHLRVCRH-RWMBFGLXSA-N 1 1 321.381 -1.348 20 0 DAADMO CSCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263835 678707250 /nfs/dbraw/zinc/70/72/50/678707250.db2.gz PGDXOLFJFQVOCV-LLVKDONJSA-N 1 1 319.427 -1.383 20 0 DAADMO CSCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263835 678707253 /nfs/dbraw/zinc/70/72/53/678707253.db2.gz PGDXOLFJFQVOCV-LLVKDONJSA-N 1 1 319.427 -1.383 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001050113601 678707258 /nfs/dbraw/zinc/70/72/58/678707258.db2.gz UPLUWUZXAWHRTR-HBNTYKKESA-N 1 1 309.370 -1.582 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001050113601 678707262 /nfs/dbraw/zinc/70/72/62/678707262.db2.gz UPLUWUZXAWHRTR-HBNTYKKESA-N 1 1 309.370 -1.582 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050110689 678707334 /nfs/dbraw/zinc/70/73/34/678707334.db2.gz WEHFYHRVKOXZSX-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001050161307 678707445 /nfs/dbraw/zinc/70/74/45/678707445.db2.gz QCHCXRHSXHHDOZ-GXSJLCMTSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001050161307 678707450 /nfs/dbraw/zinc/70/74/50/678707450.db2.gz QCHCXRHSXHHDOZ-GXSJLCMTSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050165518 678707887 /nfs/dbraw/zinc/70/78/87/678707887.db2.gz FSSSBSXSBQVAHW-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050196224 678708215 /nfs/dbraw/zinc/70/82/15/678708215.db2.gz BBVMGHUDIOAGRT-QJPTWQEYSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)nn1 ZINC001050208393 678708264 /nfs/dbraw/zinc/70/82/64/678708264.db2.gz JRLXOWUROOBCID-CMPLNLGQSA-N 1 1 322.369 -1.708 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050198205 678708431 /nfs/dbraw/zinc/70/84/31/678708431.db2.gz DURJEAYPEBQZID-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001050198205 678708434 /nfs/dbraw/zinc/70/84/34/678708434.db2.gz DURJEAYPEBQZID-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050467331 678715015 /nfs/dbraw/zinc/71/50/15/678715015.db2.gz BAAZSZRPTBFJNU-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001057498966 678724881 /nfs/dbraw/zinc/72/48/81/678724881.db2.gz PXDKLURDOJBWMN-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001050848701 678733208 /nfs/dbraw/zinc/73/32/08/678733208.db2.gz NJPASZGZGWVZNB-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001050848704 678733254 /nfs/dbraw/zinc/73/32/54/678733254.db2.gz NJPASZGZGWVZNB-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001057631589 678733324 /nfs/dbraw/zinc/73/33/24/678733324.db2.gz AKESRCNZLBCZGG-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2cc[nH]n2)C1 ZINC001057632599 678733372 /nfs/dbraw/zinc/73/33/72/678733372.db2.gz SDZZFOSEPYBUFC-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001057632423 678733524 /nfs/dbraw/zinc/73/35/24/678733524.db2.gz OCJLQPZUWHZKPE-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001050856083 678733583 /nfs/dbraw/zinc/73/35/83/678733583.db2.gz BYXGCXISEHEVHI-QWRGUYRKSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001050856083 678733586 /nfs/dbraw/zinc/73/35/86/678733586.db2.gz BYXGCXISEHEVHI-QWRGUYRKSA-N 1 1 300.359 -2.381 20 0 DAADMO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632743 678733621 /nfs/dbraw/zinc/73/36/21/678733621.db2.gz WMQGOCUQZQJTBA-NSHDSACASA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1nccc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632435 678733725 /nfs/dbraw/zinc/73/37/25/678733725.db2.gz OPYWIJQJOJBKSX-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ncccn2)C1 ZINC001057633236 678733768 /nfs/dbraw/zinc/73/37/68/678733768.db2.gz HTQXQMAKRCJICF-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001050856085 678733826 /nfs/dbraw/zinc/73/38/26/678733826.db2.gz BYXGCXISEHEVHI-WDEREUQCSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001050856085 678733828 /nfs/dbraw/zinc/73/38/28/678733828.db2.gz BYXGCXISEHEVHI-WDEREUQCSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cccnn2)C1 ZINC001057633377 678733928 /nfs/dbraw/zinc/73/39/28/678733928.db2.gz JWDSGXIGDNUYFW-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cnon2)C1 ZINC001057633808 678733941 /nfs/dbraw/zinc/73/39/41/678733941.db2.gz SZTBXBTYBDKXOX-JTQLQIEISA-N 1 1 311.342 -1.428 20 0 DAADMO Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001057639435 678734432 /nfs/dbraw/zinc/73/44/32/678734432.db2.gz AYTGPBKSEKLFAX-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO COCCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001050857189 678734512 /nfs/dbraw/zinc/73/45/12/678734512.db2.gz UATJOSUFTZTVMR-OLZOCXBDSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001050857189 678734514 /nfs/dbraw/zinc/73/45/14/678734514.db2.gz UATJOSUFTZTVMR-OLZOCXBDSA-N 1 1 301.387 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001057636521 678734549 /nfs/dbraw/zinc/73/45/49/678734549.db2.gz SMQKDMCGAMDHCV-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001057636521 678734553 /nfs/dbraw/zinc/73/45/53/678734553.db2.gz SMQKDMCGAMDHCV-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001057636521 678734556 /nfs/dbraw/zinc/73/45/56/678734556.db2.gz SMQKDMCGAMDHCV-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640928 678734944 /nfs/dbraw/zinc/73/49/44/678734944.db2.gz RCPWYKIQAXCHFC-UHFFFAOYSA-N 1 1 324.385 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057643717 678735078 /nfs/dbraw/zinc/73/50/78/678735078.db2.gz JCANUKXHYBPLIK-UHFFFAOYSA-N 1 1 311.342 -1.996 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)O1 ZINC001050987996 678741245 /nfs/dbraw/zinc/74/12/45/678741245.db2.gz WQCHAIGIXVFMAQ-GRYCIOLGSA-N 1 1 314.386 -1.992 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)O1 ZINC001050987996 678741247 /nfs/dbraw/zinc/74/12/47/678741247.db2.gz WQCHAIGIXVFMAQ-GRYCIOLGSA-N 1 1 314.386 -1.992 20 0 DAADMO O=C(NC[C@@H]1COCC[N@@H+]1CC1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139991 678747541 /nfs/dbraw/zinc/74/75/41/678747541.db2.gz IPBDHJCSBHIUBY-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC[C@@H]1COCC[N@H+]1CC1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139991 678747543 /nfs/dbraw/zinc/74/75/43/678747543.db2.gz IPBDHJCSBHIUBY-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2CC(=O)N2CCC2)C1 ZINC001051241343 678750982 /nfs/dbraw/zinc/75/09/82/678750982.db2.gz LPMMMPLHKJERCN-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051242097 678750999 /nfs/dbraw/zinc/75/09/99/678750999.db2.gz QDDIXKYTLXJELE-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051242955 678751541 /nfs/dbraw/zinc/75/15/41/678751541.db2.gz ZBMXIYQRHAIRQW-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001051250006 678751976 /nfs/dbraw/zinc/75/19/76/678751976.db2.gz IOXWBZKNEDKNHY-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001051250006 678751978 /nfs/dbraw/zinc/75/19/78/678751978.db2.gz IOXWBZKNEDKNHY-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001051250053 678752080 /nfs/dbraw/zinc/75/20/80/678752080.db2.gz JFNBICCDISPVQL-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001051250053 678752083 /nfs/dbraw/zinc/75/20/83/678752083.db2.gz JFNBICCDISPVQL-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001051405198 678754113 /nfs/dbraw/zinc/75/41/13/678754113.db2.gz PBGIORPEALXYLV-JTQLQIEISA-N 1 1 318.341 -1.369 20 0 DAADMO COCC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051375831 678754124 /nfs/dbraw/zinc/75/41/24/678754124.db2.gz KFYMRBDPMUKLAS-LLVKDONJSA-N 1 1 310.358 -1.029 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)C(F)F)CCO2)nc1=O ZINC001051377321 678754128 /nfs/dbraw/zinc/75/41/28/678754128.db2.gz ZIYMAWNQIOELDF-ZETCQYMHSA-N 1 1 305.285 -1.310 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001051389271 678754180 /nfs/dbraw/zinc/75/41/80/678754180.db2.gz XOCFQHXGBUKSRR-LBPRGKRZSA-N 1 1 324.385 -1.046 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001051421795 678754795 /nfs/dbraw/zinc/75/47/95/678754795.db2.gz SSMUOKMXRJHDFC-VIFPVBQESA-N 1 1 324.370 -1.458 20 0 DAADMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051422427 678755335 /nfs/dbraw/zinc/75/53/35/678755335.db2.gz YGFPTKYATBRTBU-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051425232 678755512 /nfs/dbraw/zinc/75/55/12/678755512.db2.gz CASUTZWTCMBAJQ-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001051436011 678755565 /nfs/dbraw/zinc/75/55/65/678755565.db2.gz CDTBOVSPXVANQR-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001051436010 678755643 /nfs/dbraw/zinc/75/56/43/678755643.db2.gz CDTBOVSPXVANQR-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001051463837 678756982 /nfs/dbraw/zinc/75/69/82/678756982.db2.gz ZWAWHPRAMBSKAC-MRVPVSSYSA-N 1 1 324.370 -1.308 20 0 DAADMO CO[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051474347 678757932 /nfs/dbraw/zinc/75/79/32/678757932.db2.gz XFCUMAADRSQFHC-NXEZZACHSA-N 1 1 313.358 -1.540 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489353 678758333 /nfs/dbraw/zinc/75/83/33/678758333.db2.gz CFRBJCZXZFVVOG-WDEREUQCSA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)[nH]1 ZINC001051490120 678758838 /nfs/dbraw/zinc/75/88/38/678758838.db2.gz QMWWEBKDHKLHPL-GHMZBOCLSA-N 1 1 322.369 -1.291 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051490289 678758922 /nfs/dbraw/zinc/75/89/22/678758922.db2.gz VPVZFANLQMKRIV-NXEZZACHSA-N 1 1 323.357 -2.194 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001051493462 678758929 /nfs/dbraw/zinc/75/89/29/678758929.db2.gz LACRZTJKTADWCS-MNOVXSKESA-N 1 1 324.385 -1.079 20 0 DAADMO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495061 678758951 /nfs/dbraw/zinc/75/89/51/678758951.db2.gz ZDOCAHJFKJNDAU-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)[nH]1 ZINC001051490121 678759012 /nfs/dbraw/zinc/75/90/12/678759012.db2.gz QMWWEBKDHKLHPL-WDEREUQCSA-N 1 1 322.369 -1.291 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051490373 678759044 /nfs/dbraw/zinc/75/90/44/678759044.db2.gz XQRQHJIAPPDUNG-GHMZBOCLSA-N 1 1 323.353 -1.026 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC001051489697 678759085 /nfs/dbraw/zinc/75/90/85/678759085.db2.gz JMFAEQPORUOAOG-VXGBXAGGSA-N 1 1 322.369 -1.589 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051490380 678759202 /nfs/dbraw/zinc/75/92/02/678759202.db2.gz XXEYSSRWEUWSKT-WDEREUQCSA-N 1 1 309.326 -1.335 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051490374 678759221 /nfs/dbraw/zinc/75/92/21/678759221.db2.gz XQRQHJIAPPDUNG-WDEREUQCSA-N 1 1 323.353 -1.026 20 0 DAADMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)on1 ZINC001051504841 678759632 /nfs/dbraw/zinc/75/96/32/678759632.db2.gz LPXYJRSSPOMUTE-JTQLQIEISA-N 1 1 312.326 -1.124 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1)c1nnnn1C ZINC001051505860 678759805 /nfs/dbraw/zinc/75/98/05/678759805.db2.gz UJTBDYQIZNORTC-RKDXNWHRSA-N 1 1 311.346 -2.037 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC001051504821 678759850 /nfs/dbraw/zinc/75/98/50/678759850.db2.gz LIPYQGSELZAETL-WCBMZHEXSA-N 1 1 310.358 -1.133 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001051505150 678759910 /nfs/dbraw/zinc/75/99/10/678759910.db2.gz MWXOGYJSUOZUIO-NEPJUHHUSA-N 1 1 324.385 -1.046 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051505558 678759971 /nfs/dbraw/zinc/75/99/71/678759971.db2.gz PXNOWJUTLZXBQZ-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051505803 678760082 /nfs/dbraw/zinc/76/00/82/678760082.db2.gz SMWAKRAUBFAJSB-LLVKDONJSA-N 1 1 324.385 -1.120 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051504592 678760092 /nfs/dbraw/zinc/76/00/92/678760092.db2.gz IJKQQKKVGSHUDA-JTQLQIEISA-N 1 1 323.357 -1.800 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)C1=O ZINC001051511309 678760284 /nfs/dbraw/zinc/76/02/84/678760284.db2.gz YSYNVFZFXNNPTF-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001051564892 678760357 /nfs/dbraw/zinc/76/03/57/678760357.db2.gz MQWUXFMMUOYJMJ-LLVKDONJSA-N 1 1 318.341 -1.369 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1)c1nncn1C ZINC001051506200 678760478 /nfs/dbraw/zinc/76/04/78/678760478.db2.gz ZCQZATDFPSDSGC-UWVGGRQHSA-N 1 1 310.358 -1.432 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051529552 678760543 /nfs/dbraw/zinc/76/05/43/678760543.db2.gz CWDPEEHDGUVIDD-MNOVXSKESA-N 1 1 322.369 -1.557 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001051577331 678761004 /nfs/dbraw/zinc/76/10/04/678761004.db2.gz UFWWYOPYXJTUGK-CYBMUJFWSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1oc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)cc1=O ZINC001051576332 678761411 /nfs/dbraw/zinc/76/14/11/678761411.db2.gz KSYBWKWJHPQLBA-JTQLQIEISA-N 1 1 323.309 -1.008 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001051585858 678761556 /nfs/dbraw/zinc/76/15/56/678761556.db2.gz ZYCIWAOPDFEHNV-UWVGGRQHSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001051586761 678761839 /nfs/dbraw/zinc/76/18/39/678761839.db2.gz BQGSLXJHZOSNCM-ZJUUUORDSA-N 1 1 324.341 -1.760 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051593043 678761986 /nfs/dbraw/zinc/76/19/86/678761986.db2.gz UWKRMSXHDJCUCP-CMPLNLGQSA-N 1 1 312.374 -1.456 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)nn1 ZINC001051588741 678762053 /nfs/dbraw/zinc/76/20/53/678762053.db2.gz XKGUCYGBMBUUIU-QWRGUYRKSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051589616 678762112 /nfs/dbraw/zinc/76/21/12/678762112.db2.gz PVKHCEMLBRZVCI-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001051586760 678762115 /nfs/dbraw/zinc/76/21/15/678762115.db2.gz BQGSLXJHZOSNCM-VHSXEESVSA-N 1 1 324.341 -1.760 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cnnn3C)CCO2)[nH]1 ZINC001051588443 678762125 /nfs/dbraw/zinc/76/21/25/678762125.db2.gz RTOYZONDLZJFTG-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001051586759 678762254 /nfs/dbraw/zinc/76/22/54/678762254.db2.gz BQGSLXJHZOSNCM-UWVGGRQHSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)nn1 ZINC001051594623 678762727 /nfs/dbraw/zinc/76/27/27/678762727.db2.gz MCTCBNKGAOHWNB-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001051602215 678763245 /nfs/dbraw/zinc/76/32/45/678763245.db2.gz DIKXMBJEDDNFBS-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001051608751 678763491 /nfs/dbraw/zinc/76/34/91/678763491.db2.gz ITYSCKIUGSOBFC-LLVKDONJSA-N 1 1 324.385 -1.168 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615490 678764081 /nfs/dbraw/zinc/76/40/81/678764081.db2.gz WCFYMWSCCMTGKG-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615489 678764306 /nfs/dbraw/zinc/76/43/06/678764306.db2.gz WCFYMWSCCMTGKG-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640758 678764868 /nfs/dbraw/zinc/76/48/68/678764868.db2.gz JKCMTRGBXQCCRJ-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001051628096 678764908 /nfs/dbraw/zinc/76/49/08/678764908.db2.gz PEGWEQBPVDWSJQ-MJVIPROJSA-N 1 1 322.369 -1.436 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)n1 ZINC001051640748 678765606 /nfs/dbraw/zinc/76/56/06/678765606.db2.gz IZOZKNOZBVUFCR-LBPRGKRZSA-N 1 1 320.357 -1.576 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051666989 678766101 /nfs/dbraw/zinc/76/61/01/678766101.db2.gz JQAYAMXSXZTVOD-RYUDHWBXSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051692452 678766660 /nfs/dbraw/zinc/76/66/60/678766660.db2.gz JCFFIMQEOKYUCC-JQWIXIFHSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696638 678766720 /nfs/dbraw/zinc/76/67/20/678766720.db2.gz VHMBVKHFCHIQPN-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696104 678766869 /nfs/dbraw/zinc/76/68/69/678766869.db2.gz OHVVRCYMRJRIIO-MRVPVSSYSA-N 1 1 307.318 -2.041 20 0 DAADMO C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CNC(=O)C1 ZINC001051733003 678767522 /nfs/dbraw/zinc/76/75/22/678767522.db2.gz VRIAHQUDUPNWOH-BXUZGUMPSA-N 1 1 323.353 -1.087 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051751311 678768667 /nfs/dbraw/zinc/76/86/67/678768667.db2.gz VFUSNQFCFMMWHE-NSHDSACASA-N 1 1 320.357 -1.128 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051752331 678769318 /nfs/dbraw/zinc/76/93/18/678769318.db2.gz HYOYOHOKFGUOCJ-WDEREUQCSA-N 1 1 309.326 -1.477 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051752618 678769501 /nfs/dbraw/zinc/76/95/01/678769501.db2.gz MXKRDNXICQVCDW-VHSXEESVSA-N 1 1 323.357 -2.337 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)NC1=O ZINC001051755851 678769546 /nfs/dbraw/zinc/76/95/46/678769546.db2.gz KZUFVXVSHNGWNV-QWRGUYRKSA-N 1 1 324.341 -1.590 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051774229 678771082 /nfs/dbraw/zinc/77/10/82/678771082.db2.gz UVCLDDWJQSOQBV-MRVPVSSYSA-N 1 1 322.333 -2.636 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncs3)C2)n1 ZINC001051773904 678771101 /nfs/dbraw/zinc/77/11/01/678771101.db2.gz SSPFKPRPDKZLNG-QMMMGPOBSA-N 1 1 324.370 -1.308 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)[nH]1 ZINC001051772597 678771104 /nfs/dbraw/zinc/77/11/04/678771104.db2.gz KCEPWHNQVUVQGT-SECBINFHSA-N 1 1 321.345 -1.733 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051792931 678772090 /nfs/dbraw/zinc/77/20/90/678772090.db2.gz QKLKSVSUVOGKOA-KOLCDFICSA-N 1 1 324.341 -1.624 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793365 678772236 /nfs/dbraw/zinc/77/22/36/678772236.db2.gz UTEXICLOKSBXNN-VHSXEESVSA-N 1 1 323.357 -2.187 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051792929 678772434 /nfs/dbraw/zinc/77/24/34/678772434.db2.gz QKLKSVSUVOGKOA-GXSJLCMTSA-N 1 1 324.341 -1.624 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051794791 678772730 /nfs/dbraw/zinc/77/27/30/678772730.db2.gz SKVHUPPKNWPCQK-SECBINFHSA-N 1 1 309.330 -2.190 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794621 678772794 /nfs/dbraw/zinc/77/27/94/678772794.db2.gz PVSIAEXMLNKQHV-RKDXNWHRSA-N 1 1 310.358 -1.270 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794234 678772852 /nfs/dbraw/zinc/77/28/52/678772852.db2.gz IPHDFDXRIICMJS-SNVBAGLBSA-N 1 1 324.385 -1.165 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051794839 678772963 /nfs/dbraw/zinc/77/29/63/678772963.db2.gz UKAOZGJUOYJDBA-SECBINFHSA-N 1 1 308.342 -1.516 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051794019 678772998 /nfs/dbraw/zinc/77/29/98/678772998.db2.gz FZWPJJDRHHLOKS-SNVBAGLBSA-N 1 1 322.369 -1.583 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794059 678773160 /nfs/dbraw/zinc/77/31/60/678773160.db2.gz GQIZVVGLGKBAHY-JTQLQIEISA-N 1 1 310.358 -1.339 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)o1 ZINC001051793953 678773167 /nfs/dbraw/zinc/77/31/67/678773167.db2.gz XWWZEHHZISENHL-WDEREUQCSA-N 1 1 323.353 -1.019 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794846 678773264 /nfs/dbraw/zinc/77/32/64/678773264.db2.gz UNBPWULBOFNDKF-SNVBAGLBSA-N 1 1 310.358 -1.591 20 0 DAADMO COc1nscc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794954 678773490 /nfs/dbraw/zinc/77/34/90/678773490.db2.gz XJQMLBDWNVCHBN-VIFPVBQESA-N 1 1 314.367 -1.046 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051796698 678773672 /nfs/dbraw/zinc/77/36/72/678773672.db2.gz UJFIDIBFJAAIOW-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO Cn1c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)nnc1C1CC1 ZINC001051797185 678773679 /nfs/dbraw/zinc/77/36/79/678773679.db2.gz YPKHOGHQGGQWGT-JTQLQIEISA-N 1 1 322.369 -1.505 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051795083 678773721 /nfs/dbraw/zinc/77/37/21/678773721.db2.gz ZKXIDLBXWIRJFY-SECBINFHSA-N 1 1 323.357 -2.207 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC001051795285 678773880 /nfs/dbraw/zinc/77/38/80/678773880.db2.gz DCTUHVBTMWCPPA-SNVBAGLBSA-N 1 1 324.385 -1.259 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795113 678773886 /nfs/dbraw/zinc/77/38/86/678773886.db2.gz ACKWZCNYXYCDAA-JTQLQIEISA-N 1 1 310.358 -1.591 20 0 DAADMO C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CCNC1=O ZINC001051822878 678774183 /nfs/dbraw/zinc/77/41/83/678774183.db2.gz RHJSDZWERJYFKW-BXUZGUMPSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001051813004 678774647 /nfs/dbraw/zinc/77/46/47/678774647.db2.gz MGZMDTKKMSFXIP-MRVPVSSYSA-N 1 1 324.320 -1.297 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nn1 ZINC001051827304 678774947 /nfs/dbraw/zinc/77/49/47/678774947.db2.gz KQJDMNXITUKNGY-TUAOUCFPSA-N 1 1 322.369 -1.747 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051829957 678775036 /nfs/dbraw/zinc/77/50/36/678775036.db2.gz IINSGYFOWHAJPG-BBBLOLIVSA-N 1 1 323.357 -2.352 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051829956 678775370 /nfs/dbraw/zinc/77/53/70/678775370.db2.gz IINSGYFOWHAJPG-AEJSXWLSSA-N 1 1 323.357 -2.352 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001051843878 678775965 /nfs/dbraw/zinc/77/59/65/678775965.db2.gz QZLRNTBZQBKQFV-NSHDSACASA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)nn1 ZINC001051872531 678776623 /nfs/dbraw/zinc/77/66/23/678776623.db2.gz LAEGFYKZZBAJKG-JTQLQIEISA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)nn1 ZINC001051867661 678776962 /nfs/dbraw/zinc/77/69/62/678776962.db2.gz MWYUPBUKZBINQR-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051874797 678777145 /nfs/dbraw/zinc/77/71/45/678777145.db2.gz HXIPDKTWOMSSPQ-MRVPVSSYSA-N 1 1 308.302 -1.776 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001051875780 678777635 /nfs/dbraw/zinc/77/76/35/678777635.db2.gz AODGSQKEEZHDMI-SNVBAGLBSA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cnon3)CCO2)nn1 ZINC001051876106 678777653 /nfs/dbraw/zinc/77/76/53/678777653.db2.gz IJMWPFULUKCGKZ-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001051880029 678777657 /nfs/dbraw/zinc/77/76/57/678777657.db2.gz SKZDQGBHEFKUAU-SNVBAGLBSA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001051875779 678777680 /nfs/dbraw/zinc/77/76/80/678777680.db2.gz AODGSQKEEZHDMI-JTQLQIEISA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051896089 678778239 /nfs/dbraw/zinc/77/82/39/678778239.db2.gz FBNBPTGNQDLBBL-SNVBAGLBSA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051909482 678778746 /nfs/dbraw/zinc/77/87/46/678778746.db2.gz VPVZFANLQMKRIV-UWVGGRQHSA-N 1 1 323.357 -2.194 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)nn1 ZINC001051905917 678778843 /nfs/dbraw/zinc/77/88/43/678778843.db2.gz IWCDOZZHHWSAAJ-RYUDHWBXSA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051909589 678778938 /nfs/dbraw/zinc/77/89/38/678778938.db2.gz XQRQHJIAPPDUNG-MNOVXSKESA-N 1 1 323.353 -1.026 20 0 DAADMO Cn1nnc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)n1 ZINC001051929469 678779391 /nfs/dbraw/zinc/77/93/91/678779391.db2.gz BVGCFPJFXPUIDK-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCO2)[nH]1 ZINC001051924797 678779438 /nfs/dbraw/zinc/77/94/38/678779438.db2.gz VXUDLQRBAAZXPS-NSHDSACASA-N 1 1 320.357 -1.278 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051925323 678779561 /nfs/dbraw/zinc/77/95/61/678779561.db2.gz IHWBEMRXGPTFAN-LLVKDONJSA-N 1 1 307.314 -1.322 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051954820 678781364 /nfs/dbraw/zinc/78/13/64/678781364.db2.gz YUEHWCVWCNZKGF-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052185472 678787360 /nfs/dbraw/zinc/78/73/60/678787360.db2.gz BCKYGVZCDQAWGJ-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052186268 678787390 /nfs/dbraw/zinc/78/73/90/678787390.db2.gz GPKFEHJRMPDOHT-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052185185 678787413 /nfs/dbraw/zinc/78/74/13/678787413.db2.gz ZMHRJQYXQKQYNT-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)C1=O ZINC001052188233 678787420 /nfs/dbraw/zinc/78/74/20/678787420.db2.gz REGCJVSNRGTDAX-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052185474 678787509 /nfs/dbraw/zinc/78/75/09/678787509.db2.gz BCKYGVZCDQAWGJ-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052189806 678787704 /nfs/dbraw/zinc/78/77/04/678787704.db2.gz AYEXAKUNOCQZOV-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052186269 678787713 /nfs/dbraw/zinc/78/77/13/678787713.db2.gz GPKFEHJRMPDOHT-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001057739973 678789311 /nfs/dbraw/zinc/78/93/11/678789311.db2.gz YOBWNUFUSZNUQC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CC[N@@H+]1C ZINC001057739973 678789316 /nfs/dbraw/zinc/78/93/16/678789316.db2.gz YOBWNUFUSZNUQC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CC[N@H+]1C ZINC001057739973 678789321 /nfs/dbraw/zinc/78/93/21/678789321.db2.gz YOBWNUFUSZNUQC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC001052370636 678789553 /nfs/dbraw/zinc/78/95/53/678789553.db2.gz DEMGSUXIZABOHY-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC001052370636 678789555 /nfs/dbraw/zinc/78/95/55/678789555.db2.gz DEMGSUXIZABOHY-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380491 678789734 /nfs/dbraw/zinc/78/97/34/678789734.db2.gz YZRMAQNSGVSQEB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)C1=O ZINC001052382167 678789843 /nfs/dbraw/zinc/78/98/43/678789843.db2.gz GHSFNPJFDWANHV-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)C1=O ZINC001052382166 678789921 /nfs/dbraw/zinc/78/99/21/678789921.db2.gz GHSFNPJFDWANHV-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)n1 ZINC001052395340 678789984 /nfs/dbraw/zinc/78/99/84/678789984.db2.gz PXOWCLTXWCJXJX-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)C1=O ZINC001052382164 678790135 /nfs/dbraw/zinc/79/01/35/678790135.db2.gz GHSFNPJFDWANHV-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052394115 678790174 /nfs/dbraw/zinc/79/01/74/678790174.db2.gz VBDYTVYBUKPLIT-SECBINFHSA-N 1 1 323.357 -2.167 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052394066 678790200 /nfs/dbraw/zinc/79/02/00/678790200.db2.gz UPUMFKJVKUMFFX-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382505 678790245 /nfs/dbraw/zinc/79/02/45/678790245.db2.gz NEHOUIUNJFEQHB-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052380156 678790287 /nfs/dbraw/zinc/79/02/87/678790287.db2.gz UHYBDMAFMKFFRS-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052430220 678790719 /nfs/dbraw/zinc/79/07/19/678790719.db2.gz QDIBHJLBYJXJQS-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506964 678791689 /nfs/dbraw/zinc/79/16/89/678791689.db2.gz OWQXDIRJRFGHPU-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001052506546 678791839 /nfs/dbraw/zinc/79/18/39/678791839.db2.gz GUIRBSRLNXYVOI-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)c1=O ZINC001052506513 678791898 /nfs/dbraw/zinc/79/18/98/678791898.db2.gz FVHSJCRIUSMPAI-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001052621672 678792796 /nfs/dbraw/zinc/79/27/96/678792796.db2.gz GBTSFINAAYOTLH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001052616943 678792808 /nfs/dbraw/zinc/79/28/08/678792808.db2.gz HEKCIYPYGSLHBI-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057791108 678793549 /nfs/dbraw/zinc/79/35/49/678793549.db2.gz YGJSFYZFLHEAII-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057791108 678793551 /nfs/dbraw/zinc/79/35/51/678793551.db2.gz YGJSFYZFLHEAII-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057790228 678793652 /nfs/dbraw/zinc/79/36/52/678793652.db2.gz AMOBFBSXNREOKL-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057790228 678793655 /nfs/dbraw/zinc/79/36/55/678793655.db2.gz AMOBFBSXNREOKL-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057854403 678795980 /nfs/dbraw/zinc/79/59/80/678795980.db2.gz HFVMRGLZFIVJIT-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057966992 678799922 /nfs/dbraw/zinc/79/99/22/678799922.db2.gz XOGKWNUSNHSDKS-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001057993963 678801309 /nfs/dbraw/zinc/80/13/09/678801309.db2.gz DYFAITYZRMTPTC-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO Cn1cncc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058030814 678802750 /nfs/dbraw/zinc/80/27/50/678802750.db2.gz PQSNPLYQLNPJBC-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058038837 678803260 /nfs/dbraw/zinc/80/32/60/678803260.db2.gz IAUJXXOHNIQVLA-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058040192 678803409 /nfs/dbraw/zinc/80/34/09/678803409.db2.gz IJIBVGWDHCQVQK-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058056856 678804097 /nfs/dbraw/zinc/80/40/97/678804097.db2.gz MHLPDLLTKCPBTI-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057786 678804419 /nfs/dbraw/zinc/80/44/19/678804419.db2.gz FCNASIOTEOCGHE-LLVKDONJSA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057786 678804423 /nfs/dbraw/zinc/80/44/23/678804423.db2.gz FCNASIOTEOCGHE-LLVKDONJSA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058057984 678804469 /nfs/dbraw/zinc/80/44/69/678804469.db2.gz NLPQZLRRNVLFSP-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058059288 678805535 /nfs/dbraw/zinc/80/55/35/678805535.db2.gz XPCBOPPPTIXMJQ-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058158069 678809319 /nfs/dbraw/zinc/80/93/19/678809319.db2.gz OVLLAFMDPDPEEF-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058158016 678809374 /nfs/dbraw/zinc/80/93/74/678809374.db2.gz NGIDKEJXMYSLSN-LLVKDONJSA-N 1 1 314.386 -1.859 20 0 DAADMO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001058168676 678809436 /nfs/dbraw/zinc/80/94/36/678809436.db2.gz PLFPEMNAALSVCK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CC[C@@H](C(=O)N(CCO)CCNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001058168676 678809442 /nfs/dbraw/zinc/80/94/42/678809442.db2.gz PLFPEMNAALSVCK-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058252811 678811852 /nfs/dbraw/zinc/81/18/52/678811852.db2.gz YSCNNCRETSKIES-UHFFFAOYSA-N 1 1 316.402 -1.469 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1=O ZINC000384659832 678826383 /nfs/dbraw/zinc/82/63/83/678826383.db2.gz BCRAIWLIUFHRQF-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068615542 678831926 /nfs/dbraw/zinc/83/19/26/678831926.db2.gz ZXRMBHBYNPJTPE-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068783406 678837586 /nfs/dbraw/zinc/83/75/86/678837586.db2.gz CVEUHIDBDQJEBV-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068902662 678839396 /nfs/dbraw/zinc/83/93/96/678839396.db2.gz SCNPBCNSZZECDX-JTQLQIEISA-N 1 1 312.370 -1.702 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cc[n+]([O-])cc1 ZINC001069892100 678845057 /nfs/dbraw/zinc/84/50/57/678845057.db2.gz IXIOCDOLAFNIBD-OLZOCXBDSA-N 1 1 318.337 -1.441 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cc[n+]([O-])cc1 ZINC001069892100 678845059 /nfs/dbraw/zinc/84/50/59/678845059.db2.gz IXIOCDOLAFNIBD-OLZOCXBDSA-N 1 1 318.337 -1.441 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892513 678845243 /nfs/dbraw/zinc/84/52/43/678845243.db2.gz BHOKEZSUVRRSSU-TUAOUCFPSA-N 1 1 323.353 -1.111 20 0 DAADMO CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069885832 678845262 /nfs/dbraw/zinc/84/52/62/678845262.db2.gz ZPZHOXDQNSMKMI-NEPJUHHUSA-N 1 1 307.358 -1.335 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1n1ccnn1 ZINC001069885832 678845267 /nfs/dbraw/zinc/84/52/67/678845267.db2.gz ZPZHOXDQNSMKMI-NEPJUHHUSA-N 1 1 307.358 -1.335 20 0 DAADMO CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001069885875 678845312 /nfs/dbraw/zinc/84/53/12/678845312.db2.gz BUEINLJUZZPDIE-MNOVXSKESA-N 1 1 321.341 -1.809 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1ccnn1 ZINC001069885875 678845314 /nfs/dbraw/zinc/84/53/14/678845314.db2.gz BUEINLJUZZPDIE-MNOVXSKESA-N 1 1 321.341 -1.809 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069894747 678845445 /nfs/dbraw/zinc/84/54/45/678845445.db2.gz JXCPNZPOBCPGPM-ZJUUUORDSA-N 1 1 307.318 -2.701 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069894747 678845449 /nfs/dbraw/zinc/84/54/49/678845449.db2.gz JXCPNZPOBCPGPM-ZJUUUORDSA-N 1 1 307.318 -2.701 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001069902617 678845687 /nfs/dbraw/zinc/84/56/87/678845687.db2.gz GTVZUCLKJIVDRJ-WOPDTQHZSA-N 1 1 321.385 -1.801 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)[nH]n1 ZINC001069901215 678845740 /nfs/dbraw/zinc/84/57/40/678845740.db2.gz UJOMUSJIQCCPJN-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)[nH]n1 ZINC001069901215 678845744 /nfs/dbraw/zinc/84/57/44/678845744.db2.gz UJOMUSJIQCCPJN-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001069902549 678845781 /nfs/dbraw/zinc/84/57/81/678845781.db2.gz CLTUGJDCCWLGMC-UPJWGTAASA-N 1 1 308.386 -1.294 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n(C)n1 ZINC001069900458 678845877 /nfs/dbraw/zinc/84/58/77/678845877.db2.gz GFDAIMDIYUEFMQ-YPMHNXCESA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n(C)n1 ZINC001069900458 678845879 /nfs/dbraw/zinc/84/58/79/678845879.db2.gz GFDAIMDIYUEFMQ-YPMHNXCESA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1COCCO1 ZINC001069898316 678845996 /nfs/dbraw/zinc/84/59/96/678845996.db2.gz HPXDCGFCNNIKBF-WOPDTQHZSA-N 1 1 311.342 -1.973 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1COCCO1 ZINC001069898316 678845998 /nfs/dbraw/zinc/84/59/98/678845998.db2.gz HPXDCGFCNNIKBF-WOPDTQHZSA-N 1 1 311.342 -1.973 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894976 678846071 /nfs/dbraw/zinc/84/60/71/678846071.db2.gz UVIHVDYRFHDUBR-MXWKQRLJSA-N 1 1 321.345 -2.313 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)cn1 ZINC001069901358 678846083 /nfs/dbraw/zinc/84/60/83/678846083.db2.gz BWCDDVPVOXCYHH-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)cn1 ZINC001069901358 678846087 /nfs/dbraw/zinc/84/60/87/678846087.db2.gz BWCDDVPVOXCYHH-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069919199 678846380 /nfs/dbraw/zinc/84/63/80/678846380.db2.gz BXMMUDCNDBMUEI-KOLCDFICSA-N 1 1 306.330 -1.946 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069919199 678846382 /nfs/dbraw/zinc/84/63/82/678846382.db2.gz BXMMUDCNDBMUEI-KOLCDFICSA-N 1 1 306.330 -1.946 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069917360 678846399 /nfs/dbraw/zinc/84/63/99/678846399.db2.gz OHVFUEHARQKFKP-MXWKQRLJSA-N 1 1 324.341 -1.626 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069917360 678846403 /nfs/dbraw/zinc/84/64/03/678846403.db2.gz OHVFUEHARQKFKP-MXWKQRLJSA-N 1 1 324.341 -1.626 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069920296 678846416 /nfs/dbraw/zinc/84/64/16/678846416.db2.gz GAQXPYRWCMVOFD-AXFHLTTASA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069920296 678846419 /nfs/dbraw/zinc/84/64/19/678846419.db2.gz GAQXPYRWCMVOFD-AXFHLTTASA-N 1 1 320.357 -1.557 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069921488 678846833 /nfs/dbraw/zinc/84/68/33/678846833.db2.gz JESIWGYATREOJW-ZJUUUORDSA-N 1 1 306.330 -1.946 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069921488 678846838 /nfs/dbraw/zinc/84/68/38/678846838.db2.gz JESIWGYATREOJW-ZJUUUORDSA-N 1 1 306.330 -1.946 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069918189 678846950 /nfs/dbraw/zinc/84/69/50/678846950.db2.gz CZRKVKFYOHOLNX-MNOVXSKESA-N 1 1 320.357 -1.292 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069918189 678846956 /nfs/dbraw/zinc/84/69/56/678846956.db2.gz CZRKVKFYOHOLNX-MNOVXSKESA-N 1 1 320.357 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1COC(=O)N1 ZINC001069918256 678846966 /nfs/dbraw/zinc/84/69/66/678846966.db2.gz HQDGBYONLLOCEF-UTLUCORTSA-N 1 1 310.314 -2.280 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1COC(=O)N1 ZINC001069918256 678846972 /nfs/dbraw/zinc/84/69/72/678846972.db2.gz HQDGBYONLLOCEF-UTLUCORTSA-N 1 1 310.314 -2.280 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069929090 678847336 /nfs/dbraw/zinc/84/73/36/678847336.db2.gz UQKUKQNUJGPMFJ-MNOVXSKESA-N 1 1 305.346 -1.284 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1=O ZINC001069941871 678847349 /nfs/dbraw/zinc/84/73/49/678847349.db2.gz BUJGZFHDGRXCAH-TUAOUCFPSA-N 1 1 322.369 -1.910 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1=O ZINC001069941871 678847353 /nfs/dbraw/zinc/84/73/53/678847353.db2.gz BUJGZFHDGRXCAH-TUAOUCFPSA-N 1 1 322.369 -1.910 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069926264 678847468 /nfs/dbraw/zinc/84/74/68/678847468.db2.gz WWUKPXHJSBNTHH-MNOVXSKESA-N 1 1 321.345 -2.047 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069926264 678847472 /nfs/dbraw/zinc/84/74/72/678847472.db2.gz WWUKPXHJSBNTHH-MNOVXSKESA-N 1 1 321.345 -2.047 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069926018 678847520 /nfs/dbraw/zinc/84/75/20/678847520.db2.gz JLGUBCWMKKQAKX-MXWKQRLJSA-N 1 1 321.345 -2.313 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001069938820 678847674 /nfs/dbraw/zinc/84/76/74/678847674.db2.gz JASVWQMMWOYKIH-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001069938820 678847676 /nfs/dbraw/zinc/84/76/76/678847676.db2.gz JASVWQMMWOYKIH-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1CCNC1=O ZINC001069997643 678849161 /nfs/dbraw/zinc/84/91/61/678849161.db2.gz NEZQDFYRRQJQCI-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995598 678849284 /nfs/dbraw/zinc/84/92/84/678849284.db2.gz ONBFKAAGRYIPTM-MXWKQRLJSA-N 1 1 307.358 -1.337 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)c[nH]c1=O ZINC001069997677 678849581 /nfs/dbraw/zinc/84/95/81/678849581.db2.gz QEQCUZWLRIPWNE-KOLCDFICSA-N 1 1 321.341 -1.635 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)c[nH]c1=O ZINC001069997677 678849584 /nfs/dbraw/zinc/84/95/84/678849584.db2.gz QEQCUZWLRIPWNE-KOLCDFICSA-N 1 1 321.341 -1.635 20 0 DAADMO CC(C)[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070002352 678849643 /nfs/dbraw/zinc/84/96/43/678849643.db2.gz ZONJHVIGSUBVIG-ZJUUUORDSA-N 1 1 305.346 -1.135 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069996200 678849653 /nfs/dbraw/zinc/84/96/53/678849653.db2.gz VRYCCHFHSQRANY-TUAOUCFPSA-N 1 1 322.369 -1.598 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069996200 678849655 /nfs/dbraw/zinc/84/96/55/678849655.db2.gz VRYCCHFHSQRANY-TUAOUCFPSA-N 1 1 322.369 -1.598 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCNC1=O ZINC001069997612 678849681 /nfs/dbraw/zinc/84/96/81/678849681.db2.gz LVCXIMRHITVENM-MXWKQRLJSA-N 1 1 308.342 -2.252 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCNC1=O ZINC001069997612 678849684 /nfs/dbraw/zinc/84/96/84/678849684.db2.gz LVCXIMRHITVENM-MXWKQRLJSA-N 1 1 308.342 -2.252 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069994001 678849781 /nfs/dbraw/zinc/84/97/81/678849781.db2.gz ZWXPATUKSYXMMD-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069994001 678849782 /nfs/dbraw/zinc/84/97/82/678849782.db2.gz ZWXPATUKSYXMMD-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069996201 678849791 /nfs/dbraw/zinc/84/97/91/678849791.db2.gz VRYCCHFHSQRANY-UTUOFQBUSA-N 1 1 322.369 -1.598 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001069996201 678849793 /nfs/dbraw/zinc/84/97/93/678849793.db2.gz VRYCCHFHSQRANY-UTUOFQBUSA-N 1 1 322.369 -1.598 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011895 678850126 /nfs/dbraw/zinc/85/01/26/678850126.db2.gz YUOHGPIMDTWRKM-AEJSXWLSSA-N 1 1 309.330 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011895 678850130 /nfs/dbraw/zinc/85/01/30/678850130.db2.gz YUOHGPIMDTWRKM-AEJSXWLSSA-N 1 1 309.330 -2.707 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070002991 678850153 /nfs/dbraw/zinc/85/01/53/678850153.db2.gz FOLNSXNSQGAMLB-DHRKEOQWSA-N 1 1 321.381 -1.107 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070011579 678850393 /nfs/dbraw/zinc/85/03/93/678850393.db2.gz KXQJDEYVVAMAHM-AXFHLTTASA-N 1 1 323.357 -2.053 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070011579 678850399 /nfs/dbraw/zinc/85/03/99/678850399.db2.gz KXQJDEYVVAMAHM-AXFHLTTASA-N 1 1 323.357 -2.053 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@]1(F)CCOC1 ZINC001070008266 678850442 /nfs/dbraw/zinc/85/04/42/678850442.db2.gz ZXCIHEDGSJNXMT-MDZLAQPJSA-N 1 1 313.333 -1.260 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@]1(F)CCOC1 ZINC001070008266 678850448 /nfs/dbraw/zinc/85/04/48/678850448.db2.gz ZXCIHEDGSJNXMT-MDZLAQPJSA-N 1 1 313.333 -1.260 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001070002998 678850499 /nfs/dbraw/zinc/85/04/99/678850499.db2.gz FYVPBACOTCWATE-BJJPWKGXSA-N 1 1 321.381 -1.106 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070002992 678850550 /nfs/dbraw/zinc/85/05/50/678850550.db2.gz FOLNSXNSQGAMLB-PRFQISJJSA-N 1 1 321.381 -1.107 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1c[nH]c(=O)cn1 ZINC001070010189 678850611 /nfs/dbraw/zinc/85/06/11/678850611.db2.gz GDDHYFQYEOQRTM-MNOVXSKESA-N 1 1 319.325 -1.991 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1c[nH]c(=O)cn1 ZINC001070010189 678850612 /nfs/dbraw/zinc/85/06/12/678850612.db2.gz GDDHYFQYEOQRTM-MNOVXSKESA-N 1 1 319.325 -1.991 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070013957 678851070 /nfs/dbraw/zinc/85/10/70/678851070.db2.gz ORYSHHDSGZNHEM-NEPJUHHUSA-N 1 1 322.369 -1.469 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029047 678851999 /nfs/dbraw/zinc/85/19/99/678851999.db2.gz RSIBPYMDLOIPNQ-MJBXVCDLSA-N 1 1 322.413 -1.046 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051658 678852538 /nfs/dbraw/zinc/85/25/38/678852538.db2.gz IRQFZQMPTQGNPN-NEPJUHHUSA-N 1 1 320.357 -1.292 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051658 678852542 /nfs/dbraw/zinc/85/25/42/678852542.db2.gz IRQFZQMPTQGNPN-NEPJUHHUSA-N 1 1 320.357 -1.292 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092773 678853676 /nfs/dbraw/zinc/85/36/76/678853676.db2.gz RUCWHWOXCZGKKM-MNOVXSKESA-N 1 1 320.353 -1.212 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076535 678853839 /nfs/dbraw/zinc/85/38/39/678853839.db2.gz RKFZVQVLLZLVQX-MJBXVCDLSA-N 1 1 322.413 -1.046 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070146747 678855953 /nfs/dbraw/zinc/85/59/53/678855953.db2.gz DMERCCXNCHSLDH-GDPRMGEGSA-N 1 1 318.341 -1.470 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001070150560 678856641 /nfs/dbraw/zinc/85/66/41/678856641.db2.gz QUBGYTAQIOLKPW-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001070150318 678856912 /nfs/dbraw/zinc/85/69/12/678856912.db2.gz IIVQGWCPQQLIFG-MNOVXSKESA-N 1 1 318.341 -1.550 20 0 DAADMO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070164900 678857684 /nfs/dbraw/zinc/85/76/84/678857684.db2.gz QWNHCLQZKGSMCF-RTXFEEFZSA-N 1 1 319.369 -1.034 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217552 678859849 /nfs/dbraw/zinc/85/98/49/678859849.db2.gz HYACYTDIKFYFHL-UTUOFQBUSA-N 1 1 323.401 -1.555 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227825 678860797 /nfs/dbraw/zinc/86/07/97/678860797.db2.gz UCYXMWISTYPDBX-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070229833 678861208 /nfs/dbraw/zinc/86/12/08/678861208.db2.gz KFIHEZVUXDIJTN-UHFFFAOYSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070247866 678861730 /nfs/dbraw/zinc/86/17/30/678861730.db2.gz IAYSGEHFRPZJNT-GDPRMGEGSA-N 1 1 320.357 -1.259 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070262661 678863199 /nfs/dbraw/zinc/86/31/99/678863199.db2.gz DMSDGOZTZFBJNE-NEPJUHHUSA-N 1 1 315.337 -1.300 20 0 DAADMO NC(=O)CN[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327729 678864661 /nfs/dbraw/zinc/86/46/61/678864661.db2.gz DQYHJSPVBZHGOV-NEPJUHHUSA-N 1 1 321.385 -1.799 20 0 DAADMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001070353272 678865283 /nfs/dbraw/zinc/86/52/83/678865283.db2.gz HIPCKYXMTMQKSL-DCAQKATOSA-N 1 1 322.369 -1.209 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001070407361 678866653 /nfs/dbraw/zinc/86/66/53/678866653.db2.gz DFMQQQFSMVJDOH-KOLCDFICSA-N 1 1 323.353 -1.084 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070424943 678866763 /nfs/dbraw/zinc/86/67/63/678866763.db2.gz YFDOBGJUWZFXAF-JLLWLGSASA-N 1 1 321.381 -1.071 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@H]1COC(=O)N1 ZINC001070407362 678866813 /nfs/dbraw/zinc/86/68/13/678866813.db2.gz DFMQQQFSMVJDOH-MWLCHTKSSA-N 1 1 323.353 -1.084 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCNC1=O ZINC001070419940 678866854 /nfs/dbraw/zinc/86/68/54/678866854.db2.gz LVUSSGPUPPBDFG-CMPLNLGQSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nnc([C@H]2CN(C(=O)CC(N)=O)CC23C[NH+](CCO)C3)[nH]1 ZINC001070443118 678867600 /nfs/dbraw/zinc/86/76/00/678867600.db2.gz XSGAZUXBODMADD-SNVBAGLBSA-N 1 1 322.369 -1.791 20 0 DAADMO COCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@H]2c1nnc(C)[nH]1 ZINC001070449579 678867748 /nfs/dbraw/zinc/86/77/48/678867748.db2.gz SZJWFUVRQXGNRS-JTQLQIEISA-N 1 1 322.369 -1.527 20 0 DAADMO Cc1nnc([C@@H]2CN(C(=O)C(N)=O)CC23C[NH+](CCO)C3)[nH]1 ZINC001070449561 678867785 /nfs/dbraw/zinc/86/77/85/678867785.db2.gz SYKVOGLSCQLTKO-VIFPVBQESA-N 1 1 308.342 -2.181 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001070557808 678868669 /nfs/dbraw/zinc/86/86/69/678868669.db2.gz GJOCLFCESQZVAC-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001070919658 678875208 /nfs/dbraw/zinc/87/52/08/678875208.db2.gz PWLUBDQBSYWXFO-AXFHLTTASA-N 1 1 310.354 -1.012 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948538 678876985 /nfs/dbraw/zinc/87/69/85/678876985.db2.gz QJVNTBPQWRISKM-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948538 678876987 /nfs/dbraw/zinc/87/69/87/678876987.db2.gz QJVNTBPQWRISKM-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070949764 678877228 /nfs/dbraw/zinc/87/72/28/678877228.db2.gz WTAHCGFKXLUESY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070949764 678877230 /nfs/dbraw/zinc/87/72/30/678877230.db2.gz WTAHCGFKXLUESY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)CN2CCOCC2)CC1 ZINC001070955665 678877917 /nfs/dbraw/zinc/87/79/17/678877917.db2.gz XNDGFRXMVWDZPY-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)CN2CCOCC2)CC1 ZINC001070955665 678877919 /nfs/dbraw/zinc/87/79/19/678877919.db2.gz XNDGFRXMVWDZPY-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO O=C(Cn1nccn1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070967970 678879023 /nfs/dbraw/zinc/87/90/23/678879023.db2.gz HBIMGDQBLYJJBF-UHFFFAOYSA-N 1 1 324.385 -1.689 20 0 DAADMO O=C(Cn1nccn1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070967970 678879025 /nfs/dbraw/zinc/87/90/25/678879025.db2.gz HBIMGDQBLYJJBF-UHFFFAOYSA-N 1 1 324.385 -1.689 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001070985222 678879767 /nfs/dbraw/zinc/87/97/67/678879767.db2.gz JJCPCPDIAQOPGU-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001070985222 678879771 /nfs/dbraw/zinc/87/97/71/678879771.db2.gz JJCPCPDIAQOPGU-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO NC(=O)C(=O)N1CCC(=O)NCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001070993608 678880446 /nfs/dbraw/zinc/88/04/46/678880446.db2.gz IRVVLNXNHAEPEW-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)C(=O)N1CCC(=O)NCC[N@H+](C[C@H]2CCOC2)CC1 ZINC001070993608 678880449 /nfs/dbraw/zinc/88/04/49/678880449.db2.gz IRVVLNXNHAEPEW-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070993688 678880474 /nfs/dbraw/zinc/88/04/74/678880474.db2.gz KUGSXAKTRTZWBR-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004678 678881210 /nfs/dbraw/zinc/88/12/10/678881210.db2.gz NWXXEJAGRWRLLQ-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004678 678881211 /nfs/dbraw/zinc/88/12/11/678881211.db2.gz NWXXEJAGRWRLLQ-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001071020590 678881640 /nfs/dbraw/zinc/88/16/40/678881640.db2.gz KHCIFZNUICDXLP-UHFFFAOYSA-N 1 1 323.397 -1.166 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014346 678881655 /nfs/dbraw/zinc/88/16/55/678881655.db2.gz KKRRMOCAMICNDP-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014346 678881656 /nfs/dbraw/zinc/88/16/56/678881656.db2.gz KKRRMOCAMICNDP-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001071014390 678881875 /nfs/dbraw/zinc/88/18/75/678881875.db2.gz MFFUBVYMCAYJES-UHFFFAOYSA-N 1 1 324.385 -1.620 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001071014390 678881878 /nfs/dbraw/zinc/88/18/78/678881878.db2.gz MFFUBVYMCAYJES-UHFFFAOYSA-N 1 1 324.385 -1.620 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001071025774 678882424 /nfs/dbraw/zinc/88/24/24/678882424.db2.gz WPHZIQAPSAEIFK-NSHDSACASA-N 1 1 324.381 -1.290 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001071025774 678882425 /nfs/dbraw/zinc/88/24/25/678882425.db2.gz WPHZIQAPSAEIFK-NSHDSACASA-N 1 1 324.381 -1.290 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001071025849 678882483 /nfs/dbraw/zinc/88/24/83/678882483.db2.gz ZPRBCJSZHXVPPN-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001071025849 678882486 /nfs/dbraw/zinc/88/24/86/678882486.db2.gz ZPRBCJSZHXVPPN-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071199221 678884583 /nfs/dbraw/zinc/88/45/83/678884583.db2.gz KNPVCYYRXGSBMN-BXUZGUMPSA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071182433 678884789 /nfs/dbraw/zinc/88/47/89/678884789.db2.gz AYJSKESYDUQNEV-YGRLFVJLSA-N 1 1 322.369 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071182433 678884791 /nfs/dbraw/zinc/88/47/91/678884791.db2.gz AYJSKESYDUQNEV-YGRLFVJLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071207108 678885283 /nfs/dbraw/zinc/88/52/83/678885283.db2.gz UZGRTAYMPYDDGR-HZMBPMFUSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071207108 678885286 /nfs/dbraw/zinc/88/52/86/678885286.db2.gz UZGRTAYMPYDDGR-HZMBPMFUSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071340604 678887154 /nfs/dbraw/zinc/88/71/54/678887154.db2.gz QZXUBAMLZXJMHK-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N(C)C ZINC001071340604 678887159 /nfs/dbraw/zinc/88/71/59/678887159.db2.gz QZXUBAMLZXJMHK-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CCn1cncn1 ZINC001071339807 678887365 /nfs/dbraw/zinc/88/73/65/678887365.db2.gz FHMVVMMMWQAMJN-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCO ZINC001071518322 678890328 /nfs/dbraw/zinc/89/03/28/678890328.db2.gz ODCIEKJTJKBQNN-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CCn1cncn1 ZINC001071514797 678890508 /nfs/dbraw/zinc/89/05/08/678890508.db2.gz PEHMGAHVWRJFBV-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071514340 678890744 /nfs/dbraw/zinc/89/07/44/678890744.db2.gz MKTSZUDLQCOSFZ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071514340 678890748 /nfs/dbraw/zinc/89/07/48/678890748.db2.gz MKTSZUDLQCOSFZ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071549874 678891137 /nfs/dbraw/zinc/89/11/37/678891137.db2.gz VWLCQKGIIRTIQC-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCCO ZINC001071519638 678891225 /nfs/dbraw/zinc/89/12/25/678891225.db2.gz ZAEJBPFVYURNML-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071552918 678891568 /nfs/dbraw/zinc/89/15/68/678891568.db2.gz GNBQFFXEJVDMCG-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)C[N@@H+]1CC(N)=O ZINC001071575237 678894265 /nfs/dbraw/zinc/89/42/65/678894265.db2.gz UEUBCHJDPBFXNJ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)C[N@H+]1CC(N)=O ZINC001071575237 678894267 /nfs/dbraw/zinc/89/42/67/678894267.db2.gz UEUBCHJDPBFXNJ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071581997 678894580 /nfs/dbraw/zinc/89/45/80/678894580.db2.gz QICQMVNMGXNXBC-QWRGUYRKSA-N 1 1 313.402 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071582526 678895388 /nfs/dbraw/zinc/89/53/88/678895388.db2.gz WYELKYVJEWQZPH-ONGXEEELSA-N 1 1 322.369 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071623634 678895423 /nfs/dbraw/zinc/89/54/23/678895423.db2.gz AODOPSYMGLLUQE-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071623634 678895426 /nfs/dbraw/zinc/89/54/26/678895426.db2.gz AODOPSYMGLLUQE-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CCCO ZINC001071625326 678895823 /nfs/dbraw/zinc/89/58/23/678895823.db2.gz NYCJWIWPHSIYFP-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001071659907 678896056 /nfs/dbraw/zinc/89/60/56/678896056.db2.gz MMRIDCFPNPFGQQ-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001071659907 678896059 /nfs/dbraw/zinc/89/60/59/678896059.db2.gz MMRIDCFPNPFGQQ-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071788768 678897783 /nfs/dbraw/zinc/89/77/83/678897783.db2.gz JYMOVDKQMPRLQY-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC001071788768 678897787 /nfs/dbraw/zinc/89/77/87/678897787.db2.gz JYMOVDKQMPRLQY-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071792079 678897948 /nfs/dbraw/zinc/89/79/48/678897948.db2.gz DOMAEHLWGPIUOX-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001071792079 678897952 /nfs/dbraw/zinc/89/79/52/678897952.db2.gz DOMAEHLWGPIUOX-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[N@H+]1CCO ZINC001071989532 678903042 /nfs/dbraw/zinc/90/30/42/678903042.db2.gz QDELJDWQKGHXGN-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[N@H+]1CCO ZINC001071989534 678903613 /nfs/dbraw/zinc/90/36/13/678903613.db2.gz QDELJDWQKGHXGN-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033465 678904524 /nfs/dbraw/zinc/90/45/24/678904524.db2.gz NGCIGKIWABSQLQ-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033465 678904527 /nfs/dbraw/zinc/90/45/27/678904527.db2.gz NGCIGKIWABSQLQ-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 ZINC001200206861 782193976 /nfs/dbraw/zinc/19/39/76/782193976.db2.gz NXUBOBMFBWERPS-SNVBAGLBSA-N 1 1 310.358 -1.570 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001200352262 782198091 /nfs/dbraw/zinc/19/80/91/782198091.db2.gz SWCSAVRGGDBXTK-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@H](CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1)NC(N)=O ZINC001200563239 782203363 /nfs/dbraw/zinc/20/33/63/782203363.db2.gz IBGLXOQFZMRSQD-SECBINFHSA-N 1 1 324.389 -1.262 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccncc1 ZINC001114314020 782204779 /nfs/dbraw/zinc/20/47/79/782204779.db2.gz OBLRZOBFYQFSTB-YABSGUDNSA-N 1 1 317.349 -1.657 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccncc1 ZINC001114314020 782204789 /nfs/dbraw/zinc/20/47/89/782204789.db2.gz OBLRZOBFYQFSTB-YABSGUDNSA-N 1 1 317.349 -1.657 20 0 DAADMO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1 ZINC001201431132 782218554 /nfs/dbraw/zinc/21/85/54/782218554.db2.gz VYMFUWKEBHIEAZ-NSHDSACASA-N 1 1 310.358 -1.570 20 0 DAADMO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 ZINC001201431132 782218565 /nfs/dbraw/zinc/21/85/65/782218565.db2.gz VYMFUWKEBHIEAZ-NSHDSACASA-N 1 1 310.358 -1.570 20 0 DAADMO NC(=O)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001273910174 782222471 /nfs/dbraw/zinc/22/24/71/782222471.db2.gz FEIHSZOVQQBHHH-HNNXBMFYSA-N 1 1 321.381 -1.242 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110734235 782237240 /nfs/dbraw/zinc/23/72/40/782237240.db2.gz DPLCPPNIXHIYKA-UTUOFQBUSA-N 1 1 314.361 -1.070 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110734235 782237247 /nfs/dbraw/zinc/23/72/47/782237247.db2.gz DPLCPPNIXHIYKA-UTUOFQBUSA-N 1 1 314.361 -1.070 20 0 DAADMO CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)S(C)(=O)=O ZINC001110621522 782235085 /nfs/dbraw/zinc/23/50/85/782235085.db2.gz HBGLMWJSYXGMGL-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC001115187527 782236057 /nfs/dbraw/zinc/23/60/57/782236057.db2.gz AMZTYHJMQMYMIT-IMRBUKKESA-N 1 1 323.397 -1.027 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115187761 782236258 /nfs/dbraw/zinc/23/62/58/782236258.db2.gz FGYFYONBOWBNOF-SVDPJWKOSA-N 1 1 305.400 -1.695 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)NC)C1=O ZINC001114376712 782244245 /nfs/dbraw/zinc/24/42/45/782244245.db2.gz QZSBIKWIRMIRQK-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115220170 782238326 /nfs/dbraw/zinc/23/83/26/782238326.db2.gz DBKAMWFVRNUYDT-SVDPJWKOSA-N 1 1 311.386 -1.432 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115218753 782238825 /nfs/dbraw/zinc/23/88/25/782238825.db2.gz JSTPWRMVOBYVKH-IWIIMEHWSA-N 1 1 309.370 -1.630 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115218753 782238833 /nfs/dbraw/zinc/23/88/33/782238833.db2.gz JSTPWRMVOBYVKH-IWIIMEHWSA-N 1 1 309.370 -1.630 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC001115216853 782238951 /nfs/dbraw/zinc/23/89/51/782238951.db2.gz KEHFRAOQAOMXRZ-RTUWITSCSA-N 1 1 322.365 -1.682 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC001115216853 782238959 /nfs/dbraw/zinc/23/89/59/782238959.db2.gz KEHFRAOQAOMXRZ-RTUWITSCSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C(C)(C)C ZINC001115229008 782239718 /nfs/dbraw/zinc/23/97/18/782239718.db2.gz BTZHBHDNMDXZHO-IWIIMEHWSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C(C)(C)C ZINC001115229008 782239724 /nfs/dbraw/zinc/23/97/24/782239724.db2.gz BTZHBHDNMDXZHO-IWIIMEHWSA-N 1 1 310.398 -1.059 20 0 DAADMO Cc1occc1C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114317759 782239762 /nfs/dbraw/zinc/23/97/62/782239762.db2.gz ZOODGEHNDAAKMB-YABSGUDNSA-N 1 1 320.349 -1.150 20 0 DAADMO Cc1occc1C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114317759 782239767 /nfs/dbraw/zinc/23/97/67/782239767.db2.gz ZOODGEHNDAAKMB-YABSGUDNSA-N 1 1 320.349 -1.150 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114321363 782240123 /nfs/dbraw/zinc/24/01/23/782240123.db2.gz MAJCGIGEGOCIFV-GOONRYMUSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114321363 782240128 /nfs/dbraw/zinc/24/01/28/782240128.db2.gz MAJCGIGEGOCIFV-GOONRYMUSA-N 1 1 320.349 -1.070 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114366311 782241419 /nfs/dbraw/zinc/24/14/19/782241419.db2.gz PDXPMUPMJVABFE-DNJQJEMRSA-N 1 1 312.370 -1.989 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114366311 782241430 /nfs/dbraw/zinc/24/14/30/782241430.db2.gz PDXPMUPMJVABFE-DNJQJEMRSA-N 1 1 312.370 -1.989 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364024 782241441 /nfs/dbraw/zinc/24/14/41/782241441.db2.gz OWMXZRSCXNHKMG-DCQANWLSSA-N 1 1 319.427 -1.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114362082 782241457 /nfs/dbraw/zinc/24/14/57/782241457.db2.gz ZPEMQZPSVWKZNI-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114362082 782241463 /nfs/dbraw/zinc/24/14/63/782241463.db2.gz ZPEMQZPSVWKZNI-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114364317 782241662 /nfs/dbraw/zinc/24/16/62/782241662.db2.gz VPJSUVVPKRGQGK-YABSGUDNSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114364317 782241669 /nfs/dbraw/zinc/24/16/69/782241669.db2.gz VPJSUVVPKRGQGK-YABSGUDNSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364289 782241736 /nfs/dbraw/zinc/24/17/36/782241736.db2.gz UYHMDTYOBQBVOC-REIXXSIJSA-N 1 1 318.399 -2.202 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364289 782241742 /nfs/dbraw/zinc/24/17/42/782241742.db2.gz UYHMDTYOBQBVOC-REIXXSIJSA-N 1 1 318.399 -2.202 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364113 782241807 /nfs/dbraw/zinc/24/18/07/782241807.db2.gz QDZJGCPQGUHHKL-UXCLJVHYSA-N 1 1 305.400 -1.695 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(C)C ZINC001114361328 782242015 /nfs/dbraw/zinc/24/20/15/782242015.db2.gz LMRMJAXXFVLQHW-YABSGUDNSA-N 1 1 310.398 -1.107 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(C)C ZINC001114361328 782242022 /nfs/dbraw/zinc/24/20/22/782242022.db2.gz LMRMJAXXFVLQHW-YABSGUDNSA-N 1 1 310.398 -1.107 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)COC ZINC001114367910 782242678 /nfs/dbraw/zinc/24/26/78/782242678.db2.gz BFEQMJWZYVFCHR-MSRIBSCDSA-N 1 1 312.370 -2.069 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)COC ZINC001114367910 782242685 /nfs/dbraw/zinc/24/26/85/782242685.db2.gz BFEQMJWZYVFCHR-MSRIBSCDSA-N 1 1 312.370 -2.069 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114368133 782242873 /nfs/dbraw/zinc/24/28/73/782242873.db2.gz GHGBYGRRECNKHF-DEKYYXRVSA-N 1 1 324.381 -1.926 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114376452 782242994 /nfs/dbraw/zinc/24/29/94/782242994.db2.gz MBGIIHSRSLYQGC-IAZYJMLFSA-N 1 1 324.385 -2.013 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114378390 782244036 /nfs/dbraw/zinc/24/40/36/782244036.db2.gz HTWTXJFTLGSHDQ-PJXYFTJBSA-N 1 1 323.397 -1.512 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114372502 782244132 /nfs/dbraw/zinc/24/41/32/782244132.db2.gz YUIQNYZNDDTVLU-YABSGUDNSA-N 1 1 323.397 -1.512 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114372502 782244138 /nfs/dbraw/zinc/24/41/38/782244138.db2.gz YUIQNYZNDDTVLU-YABSGUDNSA-N 1 1 323.397 -1.512 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001114397278 782245681 /nfs/dbraw/zinc/24/56/81/782245681.db2.gz KDUWQHKEGXVYDY-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001114397278 782245687 /nfs/dbraw/zinc/24/56/87/782245687.db2.gz KDUWQHKEGXVYDY-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001114397822 782245916 /nfs/dbraw/zinc/24/59/16/782245916.db2.gz SNZJBHSHAFGTDI-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001114397822 782245919 /nfs/dbraw/zinc/24/59/19/782245919.db2.gz SNZJBHSHAFGTDI-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO COCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCOCC1 ZINC001114383059 782246083 /nfs/dbraw/zinc/24/60/83/782246083.db2.gz VGFUJKLQERWUMZ-PJXYFTJBSA-N 1 1 311.382 -1.039 20 0 DAADMO COCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCOCC1 ZINC001114383059 782246091 /nfs/dbraw/zinc/24/60/91/782246091.db2.gz VGFUJKLQERWUMZ-PJXYFTJBSA-N 1 1 311.382 -1.039 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115250494 782246655 /nfs/dbraw/zinc/24/66/55/782246655.db2.gz YCQFCWNLEUFEHT-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115250494 782246664 /nfs/dbraw/zinc/24/66/64/782246664.db2.gz YCQFCWNLEUFEHT-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)cc1=O ZINC001114421029 782246751 /nfs/dbraw/zinc/24/67/51/782246751.db2.gz LWQYINCEPJPJMK-YABSGUDNSA-N 1 1 322.365 -1.551 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114430081 782247048 /nfs/dbraw/zinc/24/70/48/782247048.db2.gz ABEGSKWIWHLGRU-IAZYJMLFSA-N 1 1 308.382 -1.223 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CCNC1=O ZINC001114423601 782247080 /nfs/dbraw/zinc/24/70/80/782247080.db2.gz PINDCPUZMSOOLT-MAWWSGROSA-N 1 1 308.382 -1.305 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CCNC1=O ZINC001114423601 782247089 /nfs/dbraw/zinc/24/70/89/782247089.db2.gz PINDCPUZMSOOLT-MAWWSGROSA-N 1 1 308.382 -1.305 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001115248173 782245578 /nfs/dbraw/zinc/24/55/78/782245578.db2.gz SMWCMMZEKAUKNJ-WHOHXGKFSA-N 1 1 317.411 -1.239 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001114444875 782249116 /nfs/dbraw/zinc/24/91/16/782249116.db2.gz FLILOOHQVCTFML-CZXHOFHRSA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cnc[nH]c1=O ZINC001114447414 782249626 /nfs/dbraw/zinc/24/96/26/782249626.db2.gz NUJZHKHGHVUQKG-GDNZZTSVSA-N 1 1 308.338 -1.149 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001115253379 782249897 /nfs/dbraw/zinc/24/98/97/782249897.db2.gz AASWZEBLAJSBDU-SVDPJWKOSA-N 1 1 305.400 -1.383 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114466243 782250490 /nfs/dbraw/zinc/25/04/90/782250490.db2.gz OEOAMJKUIAWEIF-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254327 782250616 /nfs/dbraw/zinc/25/06/16/782250616.db2.gz LWZSHSWWQVJCNS-LOKLDPHHSA-N 1 1 318.399 -2.154 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114452759 782250732 /nfs/dbraw/zinc/25/07/32/782250732.db2.gz HIGPFPRHTNOORQ-PQFRYHKHSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114452759 782250742 /nfs/dbraw/zinc/25/07/42/782250742.db2.gz HIGPFPRHTNOORQ-PQFRYHKHSA-N 1 1 321.381 -1.143 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114481052 782251452 /nfs/dbraw/zinc/25/14/52/782251452.db2.gz VDCJZKDDMUBCMJ-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114481052 782251460 /nfs/dbraw/zinc/25/14/60/782251460.db2.gz VDCJZKDDMUBCMJ-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274051472 782259010 /nfs/dbraw/zinc/25/90/10/782259010.db2.gz GKRQVUYESNXQEY-YWPYICTPSA-N 1 1 311.382 -1.051 20 0 DAADMO COc1nccc(C[NH2+]C/C=C/CNC(=O)Cn2ncnn2)n1 ZINC001274024511 782259378 /nfs/dbraw/zinc/25/93/78/782259378.db2.gz ILZAJSDXHQEFDA-NSCUHMNNSA-N 1 1 318.341 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274051471 782259612 /nfs/dbraw/zinc/25/96/12/782259612.db2.gz GKRQVUYESNXQEY-SLEUVZQESA-N 1 1 311.382 -1.051 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001274062837 782261333 /nfs/dbraw/zinc/26/13/33/782261333.db2.gz YWEZIWKHNOKZBX-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN1CCOCC1 ZINC001274062837 782261347 /nfs/dbraw/zinc/26/13/47/782261347.db2.gz YWEZIWKHNOKZBX-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO COC[C@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062145 782261977 /nfs/dbraw/zinc/26/19/77/782261977.db2.gz MOXGPQFEDZVCLY-QMTHXVAHSA-N 1 1 313.354 -1.416 20 0 DAADMO CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072922 782263393 /nfs/dbraw/zinc/26/33/93/782263393.db2.gz IMFDOSYMUKTPEU-MEBBXXQBSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274073232 782263713 /nfs/dbraw/zinc/26/37/13/782263713.db2.gz JUUQVPOJPBDNMR-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274073232 782263721 /nfs/dbraw/zinc/26/37/21/782263721.db2.gz JUUQVPOJPBDNMR-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001274072956 782263903 /nfs/dbraw/zinc/26/39/03/782263903.db2.gz IWPWPDDBCUQANQ-MRXNPFEDSA-N 1 1 324.425 -1.011 20 0 DAADMO NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC001274061686 782263156 /nfs/dbraw/zinc/26/31/56/782263156.db2.gz LJNWBTRDMCLFTI-QWRGUYRKSA-N 1 1 308.382 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061586 782263269 /nfs/dbraw/zinc/26/32/69/782263269.db2.gz FFUAHKDLYKUWNG-XPTSAGLGSA-N 1 1 310.354 -1.423 20 0 DAADMO Cn1cnc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098362610 782268507 /nfs/dbraw/zinc/26/85/07/782268507.db2.gz RMCFHLWMHCOGOC-UHFFFAOYSA-N 1 1 310.358 -1.801 20 0 DAADMO CCn1ncc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098362624 782269261 /nfs/dbraw/zinc/26/92/61/782269261.db2.gz SCMSJLSVEYZAHM-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)O ZINC001110860746 782270078 /nfs/dbraw/zinc/27/00/78/782270078.db2.gz CGFIPWOMGQDJDL-ZDCRXTMVSA-N 1 1 320.415 -1.858 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001110858555 782269683 /nfs/dbraw/zinc/26/96/83/782269683.db2.gz FTBDEDQBHSWHSF-MXWKQRLJSA-N 1 1 320.415 -1.592 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1cnn[nH]1)N1CCNC(=O)C1 ZINC001274161374 782266529 /nfs/dbraw/zinc/26/65/29/782266529.db2.gz HLPCUJQRYFBCFN-OWOJBTEDSA-N 1 1 321.341 -2.361 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(N)=O ZINC001274232372 782270614 /nfs/dbraw/zinc/27/06/14/782270614.db2.gz DDCBEHHOBIBXND-CLPYTZEMSA-N 1 1 310.398 -1.542 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCn2cc(C(N)=O)nc2C1 ZINC001274234418 782271157 /nfs/dbraw/zinc/27/11/57/782271157.db2.gz YRKLOWXFPWYUKO-NSHDSACASA-N 1 1 306.370 -1.430 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001274262638 782272019 /nfs/dbraw/zinc/27/20/19/782272019.db2.gz FLXMOMZXXWWFFA-UFFNRZRYSA-N 1 1 307.358 -1.399 20 0 DAADMO CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274552541 782281077 /nfs/dbraw/zinc/28/10/77/782281077.db2.gz JENLEDSAVASTIN-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO COCCOCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274565660 782283333 /nfs/dbraw/zinc/28/33/33/782283333.db2.gz LMGBXWONCJNAQI-GXTWGEPZSA-N 1 1 302.371 -1.116 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563816 782283773 /nfs/dbraw/zinc/28/37/73/782283773.db2.gz CAYDSZUEYFLSIW-MJVIPROJSA-N 1 1 315.370 -2.093 20 0 DAADMO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(C[C@H](O)CO)C2 ZINC001274564625 782283831 /nfs/dbraw/zinc/28/38/31/782283831.db2.gz KHMBUUDRZVXBQB-DZGCQCFKSA-N 1 1 315.414 -1.548 20 0 DAADMO CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274564451 782284038 /nfs/dbraw/zinc/28/40/38/782284038.db2.gz FXKMOMKWNNZEOU-CORIIIEPSA-N 1 1 314.382 -1.132 20 0 DAADMO CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564451 782284050 /nfs/dbraw/zinc/28/40/50/782284050.db2.gz FXKMOMKWNNZEOU-CORIIIEPSA-N 1 1 314.382 -1.132 20 0 DAADMO O=C1CC[C@@H](CN2CC[C@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)N1 ZINC001274569537 782284558 /nfs/dbraw/zinc/28/45/58/782284558.db2.gz FKGLKCAXKFWFJB-HUBLWGQQSA-N 1 1 311.382 -1.457 20 0 DAADMO Cn1cnnc1CN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274569456 782285106 /nfs/dbraw/zinc/28/51/06/782285106.db2.gz BKGQWROSOSVHFJ-FZMZJTMJSA-N 1 1 309.370 -1.407 20 0 DAADMO COCCOCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568595 782285232 /nfs/dbraw/zinc/28/52/32/782285232.db2.gz WILHNZGHDRLKKK-GXTWGEPZSA-N 1 1 318.370 -1.737 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274696619 782289391 /nfs/dbraw/zinc/28/93/91/782289391.db2.gz BGZUBQBBQHUTJR-UWVGGRQHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274696619 782289400 /nfs/dbraw/zinc/28/94/00/782289400.db2.gz BGZUBQBBQHUTJR-UWVGGRQHSA-N 1 1 322.369 -1.783 20 0 DAADMO Cn1cnnc1CN1CC[C@@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274569484 782285581 /nfs/dbraw/zinc/28/55/81/782285581.db2.gz CJERBEDRHIZYGT-FZMZJTMJSA-N 1 1 309.370 -1.265 20 0 DAADMO CN(C)C(=O)CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274570121 782285641 /nfs/dbraw/zinc/28/56/41/782285641.db2.gz WKBVBKPPHWSOCK-SWLSCSKDSA-N 1 1 313.398 -1.115 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001280580360 782289547 /nfs/dbraw/zinc/28/95/47/782289547.db2.gz GPPJQLWBWFORIN-NSHDSACASA-N 1 1 311.342 -1.087 20 0 DAADMO Cn1cc(C[NH2+]C/C=C/CNC(=O)CCn2cnnn2)nn1 ZINC001274465729 782279194 /nfs/dbraw/zinc/27/91/94/782279194.db2.gz ZJKIPKJVHXBOHC-NSCUHMNNSA-N 1 1 305.346 -1.346 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C[C@H]2CCCO[C@H]21 ZINC001274699032 782290874 /nfs/dbraw/zinc/29/08/74/782290874.db2.gz YBZWTPZGONXBPI-NRWUCQMLSA-N 1 1 311.382 -1.208 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](O)C2)C[C@H]2CCCO[C@H]21 ZINC001274699032 782290877 /nfs/dbraw/zinc/29/08/77/782290877.db2.gz YBZWTPZGONXBPI-NRWUCQMLSA-N 1 1 311.382 -1.208 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001274698206 782290975 /nfs/dbraw/zinc/29/09/75/782290975.db2.gz QLLOFQYFQUENEQ-VHSXEESVSA-N 1 1 321.337 -1.077 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274696827 782291437 /nfs/dbraw/zinc/29/14/37/782291437.db2.gz DQRZLPMAASZTLP-PWSUYJOCSA-N 1 1 321.381 -1.119 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274696827 782291442 /nfs/dbraw/zinc/29/14/42/782291442.db2.gz DQRZLPMAASZTLP-PWSUYJOCSA-N 1 1 321.381 -1.119 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001274698131 782291577 /nfs/dbraw/zinc/29/15/77/782291577.db2.gz PDTAWDCLKLCTDQ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001274698131 782291580 /nfs/dbraw/zinc/29/15/80/782291580.db2.gz PDTAWDCLKLCTDQ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001274698129 782291592 /nfs/dbraw/zinc/29/15/92/782291592.db2.gz PDTAWDCLKLCTDQ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001274698129 782291598 /nfs/dbraw/zinc/29/15/98/782291598.db2.gz PDTAWDCLKLCTDQ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274698415 782291844 /nfs/dbraw/zinc/29/18/44/782291844.db2.gz SZDDMLCYODNUTK-ZJUUUORDSA-N 1 1 307.354 -1.048 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274698415 782291847 /nfs/dbraw/zinc/29/18/47/782291847.db2.gz SZDDMLCYODNUTK-ZJUUUORDSA-N 1 1 307.354 -1.048 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001280582070 782293217 /nfs/dbraw/zinc/29/32/17/782293217.db2.gz USIIJLUIZSLSNJ-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CN1C(=O)CCC1=O ZINC001296185419 782289756 /nfs/dbraw/zinc/28/97/56/782289756.db2.gz JVYKLDNYERJHKG-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C(=O)NCC1CC1 ZINC001274968436 782299960 /nfs/dbraw/zinc/29/99/60/782299960.db2.gz XJZYPVBXNCWSTK-BDAKNGLRSA-N 1 1 309.374 -1.108 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C[C@@H]1CCCN1C(=O)CC(N)=O ZINC001275094706 782302486 /nfs/dbraw/zinc/30/24/86/782302486.db2.gz SDUQXGDUDPADAV-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CC[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275079771 782302648 /nfs/dbraw/zinc/30/26/48/782302648.db2.gz USMTXIUQLLDEFT-PPRSSJNSSA-N 1 1 302.327 -2.907 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001275115787 782302791 /nfs/dbraw/zinc/30/27/91/782302791.db2.gz QWTSQZJMWXYNKE-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C[C@H]1CCCN1C(=O)CC(N)=O ZINC001275094705 782303286 /nfs/dbraw/zinc/30/32/86/782303286.db2.gz SDUQXGDUDPADAV-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[NH2+]CCN2C(=O)CCC2=O)n[nH]1 ZINC001275149801 782304191 /nfs/dbraw/zinc/30/41/91/782304191.db2.gz MPKXTPRIESAMJB-VIFPVBQESA-N 1 1 322.369 -1.101 20 0 DAADMO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1[nH]ncc1F ZINC001274912897 782298705 /nfs/dbraw/zinc/29/87/05/782298705.db2.gz DDJGRRSVACDTKE-SSDOTTSWSA-N 1 1 312.305 -1.192 20 0 DAADMO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)[C@H](C)NC(=O)CC(N)=O ZINC001275374642 782308174 /nfs/dbraw/zinc/30/81/74/782308174.db2.gz DUKNVMWSHXUYBN-BDAKNGLRSA-N 1 1 310.358 -1.334 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275488707 782311085 /nfs/dbraw/zinc/31/10/85/782311085.db2.gz ROOXRVNCPHBVAL-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001275541877 782312933 /nfs/dbraw/zinc/31/29/33/782312933.db2.gz QWNSAOORUHHKRZ-IUCAKERBSA-N 1 1 324.341 -1.054 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)C(N)=O)C1 ZINC001280723179 782313377 /nfs/dbraw/zinc/31/33/77/782313377.db2.gz OQRQJTMVPZHGQU-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001275551440 782313420 /nfs/dbraw/zinc/31/34/20/782313420.db2.gz HSWYKHMBBMASOO-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551440 782313443 /nfs/dbraw/zinc/31/34/43/782313443.db2.gz HSWYKHMBBMASOO-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551440 782313452 /nfs/dbraw/zinc/31/34/52/782313452.db2.gz HSWYKHMBBMASOO-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001275551438 782313633 /nfs/dbraw/zinc/31/36/33/782313633.db2.gz HSWYKHMBBMASOO-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551438 782313646 /nfs/dbraw/zinc/31/36/46/782313646.db2.gz HSWYKHMBBMASOO-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551438 782313653 /nfs/dbraw/zinc/31/36/53/782313653.db2.gz HSWYKHMBBMASOO-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001275551434 782313938 /nfs/dbraw/zinc/31/39/38/782313938.db2.gz HSWYKHMBBMASOO-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[N@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551434 782313961 /nfs/dbraw/zinc/31/39/61/782313961.db2.gz HSWYKHMBBMASOO-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551434 782313970 /nfs/dbraw/zinc/31/39/70/782313970.db2.gz HSWYKHMBBMASOO-PSASIEDQSA-N 1 1 322.369 -1.103 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001275679593 782314834 /nfs/dbraw/zinc/31/48/34/782314834.db2.gz GGFDVZLVGZDFKV-GXSJLCMTSA-N 1 1 315.370 -1.517 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCNC1=O ZINC001275613698 782315665 /nfs/dbraw/zinc/31/56/65/782315665.db2.gz FKYOLXCBKNAHPG-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001275712084 782316903 /nfs/dbraw/zinc/31/69/03/782316903.db2.gz DRWRFXNCYOTIGB-UWVGGRQHSA-N 1 1 312.370 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699798 782317035 /nfs/dbraw/zinc/31/70/35/782317035.db2.gz ZTQKMQSBSKWIAW-DTWKUNHWSA-N 1 1 313.358 -1.809 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699798 782317043 /nfs/dbraw/zinc/31/70/43/782317043.db2.gz ZTQKMQSBSKWIAW-DTWKUNHWSA-N 1 1 313.358 -1.809 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275774629 782317751 /nfs/dbraw/zinc/31/77/51/782317751.db2.gz SDMPDAHVWGFLMK-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(=O)NCC(F)F)C1 ZINC001297022872 782317929 /nfs/dbraw/zinc/31/79/29/782317929.db2.gz YCGIZTXYUDMWCV-VIFPVBQESA-N 1 1 318.324 -1.211 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275812438 782318776 /nfs/dbraw/zinc/31/87/76/782318776.db2.gz YJSKCDRQRPMYGI-VHSXEESVSA-N 1 1 312.370 -1.246 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCN1CCNC1=O ZINC001275897581 782320536 /nfs/dbraw/zinc/32/05/36/782320536.db2.gz QJTJZOKPKXZUNK-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001275914287 782320689 /nfs/dbraw/zinc/32/06/89/782320689.db2.gz YPPNXOITVCDASD-RKDXNWHRSA-N 1 1 314.342 -2.582 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001275914285 782320940 /nfs/dbraw/zinc/32/09/40/782320940.db2.gz YPPNXOITVCDASD-DTWKUNHWSA-N 1 1 314.342 -2.582 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275919756 782321850 /nfs/dbraw/zinc/32/18/50/782321850.db2.gz FXSGRLJQTDMQNO-SCZZXKLOSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)[C@H]1CCC(=O)NC1=O ZINC001275919756 782321855 /nfs/dbraw/zinc/32/18/55/782321855.db2.gz FXSGRLJQTDMQNO-SCZZXKLOSA-N 1 1 323.353 -1.019 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275851854 782321917 /nfs/dbraw/zinc/32/19/17/782321917.db2.gz YWTFYRIRDHJKTK-QMMMGPOBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275851854 782321924 /nfs/dbraw/zinc/32/19/24/782321924.db2.gz YWTFYRIRDHJKTK-QMMMGPOBSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@H](CNC(=O)C1(C(N)=O)CC1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001275921473 782322759 /nfs/dbraw/zinc/32/27/59/782322759.db2.gz SROLLFWNAYGWRJ-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CN(CCCNCc1nnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275929993 782323101 /nfs/dbraw/zinc/32/31/01/782323101.db2.gz LAFNXWCYCZLANL-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO CN(CCCNCc1nnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275929993 782323110 /nfs/dbraw/zinc/32/31/10/782323110.db2.gz LAFNXWCYCZLANL-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CCCO ZINC001275944132 782323832 /nfs/dbraw/zinc/32/38/32/782323832.db2.gz BEQRACJXHDNOAW-SECBINFHSA-N 1 1 314.342 -1.774 20 0 DAADMO CN(C)C(=O)CNC(=O)C12CC(NC(=O)C[NH+]3CCC3)(C1)C2 ZINC001275982029 782325295 /nfs/dbraw/zinc/32/52/95/782325295.db2.gz GONWTILZQZFZKT-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001275992871 782326093 /nfs/dbraw/zinc/32/60/93/782326093.db2.gz CVKQKFHCEKRREL-NXEZZACHSA-N 1 1 300.359 -1.302 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001275954830 782326151 /nfs/dbraw/zinc/32/61/51/782326151.db2.gz FEQMGHMAYZIEOT-WDEREUQCSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001276020793 782327960 /nfs/dbraw/zinc/32/79/60/782327960.db2.gz DSHLXFZEBYDHRA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001276020793 782327970 /nfs/dbraw/zinc/32/79/70/782327970.db2.gz DSHLXFZEBYDHRA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001095440060 782331831 /nfs/dbraw/zinc/33/18/31/782331831.db2.gz SGANQOQAZLHCID-ZNSHCXBVSA-N 1 1 322.369 -1.521 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2ccncn2)CC1 ZINC001098502052 782332561 /nfs/dbraw/zinc/33/25/61/782332561.db2.gz PIZDLWCSBNKDBF-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001095501739 782334445 /nfs/dbraw/zinc/33/44/45/782334445.db2.gz QIWYSRUICCJBNY-WOPDTQHZSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539733 782335977 /nfs/dbraw/zinc/33/59/77/782335977.db2.gz GJYWIIFBCLPOCZ-RNJOBUHISA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539732 782336434 /nfs/dbraw/zinc/33/64/34/782336434.db2.gz GJYWIIFBCLPOCZ-NDBYEHHHSA-N 1 1 311.382 -1.053 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CCNC1=O ZINC001110890916 782337142 /nfs/dbraw/zinc/33/71/42/782337142.db2.gz MOPDBISWCNZABT-LPWJVIDDSA-N 1 1 311.382 -1.147 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)C(=O)CC(N)=O ZINC001280793201 782333576 /nfs/dbraw/zinc/33/35/76/782333576.db2.gz IEKLWFWPFNOMEU-MRVPVSSYSA-N 1 1 301.347 -1.775 20 0 DAADMO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1=NC(=O)N(C)C1 ZINC001276209457 782333879 /nfs/dbraw/zinc/33/38/79/782333879.db2.gz WAHQYTXDMCPLNR-SECBINFHSA-N 1 1 323.353 -1.017 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001110966174 782340410 /nfs/dbraw/zinc/34/04/10/782340410.db2.gz ZUXOQFGFBPBVHM-CHWFTXMASA-N 1 1 306.366 -1.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001110966174 782340417 /nfs/dbraw/zinc/34/04/17/782340417.db2.gz ZUXOQFGFBPBVHM-CHWFTXMASA-N 1 1 306.366 -1.138 20 0 DAADMO Cc1cc(N2CC[C@](O)(CNC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001111034704 782341203 /nfs/dbraw/zinc/34/12/03/782341203.db2.gz HPTPGFWCBLOGDD-AWEZNQCLSA-N 1 1 322.369 -1.181 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111157544 782348947 /nfs/dbraw/zinc/34/89/47/782348947.db2.gz MAAJZVIMUJFUPT-UTUOFQBUSA-N 1 1 322.365 -1.360 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001111181697 782351012 /nfs/dbraw/zinc/35/10/12/782351012.db2.gz IWFUMZXSESQROL-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001111181697 782351021 /nfs/dbraw/zinc/35/10/21/782351021.db2.gz IWFUMZXSESQROL-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581481 782354249 /nfs/dbraw/zinc/35/42/49/782354249.db2.gz XQUSGCPCKZWHHQ-FZMZJTMJSA-N 1 1 321.385 -1.220 20 0 DAADMO COc1ccnc(NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001111322419 782354507 /nfs/dbraw/zinc/35/45/07/782354507.db2.gz IXGLTOJKCAMESW-UHFFFAOYSA-N 1 1 322.369 -1.037 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111180884 782351446 /nfs/dbraw/zinc/35/14/46/782351446.db2.gz SPJDIEZFZDSVJO-ZDCRXTMVSA-N 1 1 307.358 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111180884 782351448 /nfs/dbraw/zinc/35/14/48/782351448.db2.gz SPJDIEZFZDSVJO-ZDCRXTMVSA-N 1 1 307.358 -1.342 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114493272 782358929 /nfs/dbraw/zinc/35/89/29/782358929.db2.gz DTSCMOWQVRIWRH-NMKXLXIOSA-N 1 1 323.397 -1.211 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114501889 782359125 /nfs/dbraw/zinc/35/91/25/782359125.db2.gz JRPYBDHLRCYTIC-GDGBQDQQSA-N 1 1 320.353 -1.173 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114501889 782359135 /nfs/dbraw/zinc/35/91/35/782359135.db2.gz JRPYBDHLRCYTIC-GDGBQDQQSA-N 1 1 320.353 -1.173 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114536515 782361890 /nfs/dbraw/zinc/36/18/90/782361890.db2.gz RWPBXXVIGLWTPA-SRRSOLGSSA-N 1 1 323.397 -1.240 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)ncc1=O ZINC001114590311 782362593 /nfs/dbraw/zinc/36/25/93/782362593.db2.gz PQWSVBRVQHTFBZ-YABSGUDNSA-N 1 1 322.365 -1.551 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001114971884 782362743 /nfs/dbraw/zinc/36/27/43/782362743.db2.gz BCRQLRZDUVBIOL-WYUUTHIRSA-N 1 1 311.382 -1.434 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507671 782360668 /nfs/dbraw/zinc/36/06/68/782360668.db2.gz OFWQPWYSTRYZDM-QHOPCYEYSA-N 1 1 318.324 -1.451 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114676563 782367284 /nfs/dbraw/zinc/36/72/84/782367284.db2.gz ZLELMRKRCVDBGR-DCQANWLSSA-N 1 1 306.370 -1.164 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC(F)F ZINC001114619317 782363563 /nfs/dbraw/zinc/36/35/63/782363563.db2.gz UNSFHARTGVNOOE-IIDWOEFGSA-N 1 1 320.296 -1.491 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC(F)F ZINC001114619317 782363568 /nfs/dbraw/zinc/36/35/68/782363568.db2.gz UNSFHARTGVNOOE-IIDWOEFGSA-N 1 1 320.296 -1.491 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114618844 782363725 /nfs/dbraw/zinc/36/37/25/782363725.db2.gz LVSJMMDUUKSCDB-DCQANWLSSA-N 1 1 309.370 -1.601 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114616375 782363852 /nfs/dbraw/zinc/36/38/52/782363852.db2.gz OBMRXBBEDFEBHS-IWIIMEHWSA-N 1 1 322.369 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114616375 782363853 /nfs/dbraw/zinc/36/38/53/782363853.db2.gz OBMRXBBEDFEBHS-IWIIMEHWSA-N 1 1 322.369 -2.236 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114624257 782364626 /nfs/dbraw/zinc/36/46/26/782364626.db2.gz OHVRNMLNXWUQAZ-REIXXSIJSA-N 1 1 306.388 -2.533 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)NC1=O ZINC001114671783 782367826 /nfs/dbraw/zinc/36/78/26/782367826.db2.gz JPHIWWLTYLJVMK-KXNHARMFSA-N 1 1 312.370 -1.935 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001114662410 782366191 /nfs/dbraw/zinc/36/61/91/782366191.db2.gz JXNMPDXCAODTNR-NDBYEHHHSA-N 1 1 320.393 -1.305 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114662351 782366242 /nfs/dbraw/zinc/36/62/42/782366242.db2.gz IRZSMBFEGAEXFE-CIQGVGRVSA-N 1 1 322.409 -1.059 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114662351 782366254 /nfs/dbraw/zinc/36/62/54/782366254.db2.gz IRZSMBFEGAEXFE-CIQGVGRVSA-N 1 1 322.409 -1.059 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662400 782366379 /nfs/dbraw/zinc/36/63/79/782366379.db2.gz JUNCNMGQYZMRBR-FOCJUVANSA-N 1 1 324.425 -1.374 20 0 DAADMO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662155 782366397 /nfs/dbraw/zinc/36/63/97/782366397.db2.gz DYUULTCDLXTJLV-VIKVFOODSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662399 782366409 /nfs/dbraw/zinc/36/64/09/782366409.db2.gz JUNCNMGQYZMRBR-BCUIYNNISA-N 1 1 324.425 -1.374 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001114662412 782366712 /nfs/dbraw/zinc/36/67/12/782366712.db2.gz JXNMPDXCAODTNR-WUHRBBMRSA-N 1 1 320.393 -1.305 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114664156 782366745 /nfs/dbraw/zinc/36/67/45/782366745.db2.gz YYJDZZJSEXQWFK-ODXREFDESA-N 1 1 309.326 -2.636 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114664156 782366748 /nfs/dbraw/zinc/36/67/48/782366748.db2.gz YYJDZZJSEXQWFK-ODXREFDESA-N 1 1 309.326 -2.636 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1=O ZINC001114714522 782369619 /nfs/dbraw/zinc/36/96/19/782369619.db2.gz UDJNMLZTASCUJE-WUHRBBMRSA-N 1 1 311.382 -1.480 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001114713831 782369793 /nfs/dbraw/zinc/36/97/93/782369793.db2.gz JLMQZGUCLMWRGL-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001114713831 782369800 /nfs/dbraw/zinc/36/98/00/782369800.db2.gz JLMQZGUCLMWRGL-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1=O ZINC001114714549 782369858 /nfs/dbraw/zinc/36/98/58/782369858.db2.gz UWXSUENLGUPHFD-REIXXSIJSA-N 1 1 323.353 -2.294 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1=O ZINC001114714549 782369865 /nfs/dbraw/zinc/36/98/65/782369865.db2.gz UWXSUENLGUPHFD-REIXXSIJSA-N 1 1 323.353 -2.294 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001114695313 782369890 /nfs/dbraw/zinc/36/98/90/782369890.db2.gz DJBMAODBFPZIDV-BYNIDDHOSA-N 1 1 311.382 -1.339 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114726087 782370782 /nfs/dbraw/zinc/37/07/82/782370782.db2.gz HDMVJKXCUGEZLY-SREGZZRCSA-N 1 1 323.353 -2.152 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114726087 782370791 /nfs/dbraw/zinc/37/07/91/782370791.db2.gz HDMVJKXCUGEZLY-SREGZZRCSA-N 1 1 323.353 -2.152 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001114738211 782371167 /nfs/dbraw/zinc/37/11/67/782371167.db2.gz DLSWPDZJUDHDCX-IWIIMEHWSA-N 1 1 308.338 -1.561 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746086 782371876 /nfs/dbraw/zinc/37/18/76/782371876.db2.gz LJBQIFKYMQXJDT-JIOCBJNQSA-N 1 1 324.341 -2.830 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114679036 782368516 /nfs/dbraw/zinc/36/85/16/782368516.db2.gz RSZKCHVNNPASLT-WYOJIJJFSA-N 1 1 323.353 -2.376 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114679036 782368523 /nfs/dbraw/zinc/36/85/23/782368523.db2.gz RSZKCHVNNPASLT-WYOJIJJFSA-N 1 1 323.353 -2.376 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746086 782371882 /nfs/dbraw/zinc/37/18/82/782371882.db2.gz LJBQIFKYMQXJDT-JIOCBJNQSA-N 1 1 324.341 -2.830 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692900 782368759 /nfs/dbraw/zinc/36/87/59/782368759.db2.gz RBRVPFXYUNAWAK-YTWAJWBKSA-N 1 1 321.385 -1.086 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)n1 ZINC001114692427 782368855 /nfs/dbraw/zinc/36/88/55/782368855.db2.gz HBSNJRKUPZPKNS-IAZYJMLFSA-N 1 1 319.369 -1.604 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)n1 ZINC001114692427 782368864 /nfs/dbraw/zinc/36/88/64/782368864.db2.gz HBSNJRKUPZPKNS-IAZYJMLFSA-N 1 1 319.369 -1.604 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)c1ccco1 ZINC001114752731 782373745 /nfs/dbraw/zinc/37/37/45/782373745.db2.gz KDDJXKXANPRMIE-QISWUMQESA-N 1 1 320.349 -1.012 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)c1ccco1 ZINC001114752731 782373754 /nfs/dbraw/zinc/37/37/54/782373754.db2.gz KDDJXKXANPRMIE-QISWUMQESA-N 1 1 320.349 -1.012 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001114752826 782373788 /nfs/dbraw/zinc/37/37/88/782373788.db2.gz LNTXJHAHYRIXKZ-SVDPJWKOSA-N 1 1 310.354 -2.329 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001114752826 782373797 /nfs/dbraw/zinc/37/37/97/782373797.db2.gz LNTXJHAHYRIXKZ-SVDPJWKOSA-N 1 1 310.354 -2.329 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754478 782374736 /nfs/dbraw/zinc/37/47/36/782374736.db2.gz CCZLRQCJVPYAEF-SVDPJWKOSA-N 1 1 305.400 -1.518 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754677 782374929 /nfs/dbraw/zinc/37/49/29/782374929.db2.gz FXVWKEWQAIWZMJ-GDGBQDQQSA-N 1 1 318.399 -2.153 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754677 782374935 /nfs/dbraw/zinc/37/49/35/782374935.db2.gz FXVWKEWQAIWZMJ-GDGBQDQQSA-N 1 1 318.399 -2.153 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763362 782374999 /nfs/dbraw/zinc/37/49/99/782374999.db2.gz CSZFLCOPNHQKPJ-GDNZZTSVSA-N 1 1 311.382 -1.039 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114757213 782375616 /nfs/dbraw/zinc/37/56/16/782375616.db2.gz HHNKMGDRKHMDLM-RBXMUDONSA-N 1 1 323.353 -2.118 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114757213 782375629 /nfs/dbraw/zinc/37/56/29/782375629.db2.gz HHNKMGDRKHMDLM-RBXMUDONSA-N 1 1 323.353 -2.118 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763944 782375982 /nfs/dbraw/zinc/37/59/82/782375982.db2.gz KTRKHZIHFXPETH-IAZYJMLFSA-N 1 1 308.382 -1.176 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763944 782375993 /nfs/dbraw/zinc/37/59/93/782375993.db2.gz KTRKHZIHFXPETH-IAZYJMLFSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001114763780 782376046 /nfs/dbraw/zinc/37/60/46/782376046.db2.gz ISENBTDYBAFIEE-IAZYJMLFSA-N 1 1 306.366 -1.469 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001114763538 782376169 /nfs/dbraw/zinc/37/61/69/782376169.db2.gz DUVFEVIFIMKTSJ-ZRUFSTJUSA-N 1 1 306.366 -1.423 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001114763390 782376268 /nfs/dbraw/zinc/37/62/68/782376268.db2.gz DFOQQXODSRKODQ-PJXYFTJBSA-N 1 1 320.393 -1.176 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001114763390 782376279 /nfs/dbraw/zinc/37/62/79/782376279.db2.gz DFOQQXODSRKODQ-PJXYFTJBSA-N 1 1 320.393 -1.176 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114766043 782376502 /nfs/dbraw/zinc/37/65/02/782376502.db2.gz QBBNHFZSUUNVLD-WHOHXGKFSA-N 1 1 320.393 -1.081 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787685 782376970 /nfs/dbraw/zinc/37/69/70/782376970.db2.gz XGKULOAXXPZFGQ-XZMZPDFPSA-N 1 1 324.316 -1.208 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787685 782376980 /nfs/dbraw/zinc/37/69/80/782376980.db2.gz XGKULOAXXPZFGQ-XZMZPDFPSA-N 1 1 324.316 -1.208 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114801506 782377597 /nfs/dbraw/zinc/37/75/97/782377597.db2.gz XARVFQBUHBFFCY-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CCC(=O)N1 ZINC001114787229 782377887 /nfs/dbraw/zinc/37/78/87/782377887.db2.gz NXRCTVQSSZKHAY-MDHDOXDCSA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001114747725 782372048 /nfs/dbraw/zinc/37/20/48/782372048.db2.gz GJGDBENZDBWLEO-WHOHXGKFSA-N 1 1 321.381 -1.760 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746653 782372118 /nfs/dbraw/zinc/37/21/18/782372118.db2.gz WTGSMCNYFZJLEM-MIZYBKAJSA-N 1 1 323.397 -1.371 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746653 782372127 /nfs/dbraw/zinc/37/21/27/782372127.db2.gz WTGSMCNYFZJLEM-MIZYBKAJSA-N 1 1 323.397 -1.371 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746151 782372285 /nfs/dbraw/zinc/37/22/85/782372285.db2.gz MHJHWZPCYRNDJS-KLBPJQLPSA-N 1 1 309.370 -1.760 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746151 782372291 /nfs/dbraw/zinc/37/22/91/782372291.db2.gz MHJHWZPCYRNDJS-KLBPJQLPSA-N 1 1 309.370 -1.760 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)cn1 ZINC001114742024 782373036 /nfs/dbraw/zinc/37/30/36/782373036.db2.gz ZTDBMJKCNWJKSQ-NHAGDIPZSA-N 1 1 324.381 -1.146 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC001114752755 782373196 /nfs/dbraw/zinc/37/31/96/782373196.db2.gz KOGUJOYZDPSOQH-JIGDXULJSA-N 1 1 322.287 -1.413 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752335 782373423 /nfs/dbraw/zinc/37/34/23/782373423.db2.gz BJGGTYDMHBKYKT-BRPSZJMVSA-N 1 1 304.372 -2.543 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752335 782373431 /nfs/dbraw/zinc/37/34/31/782373431.db2.gz BJGGTYDMHBKYKT-BRPSZJMVSA-N 1 1 304.372 -2.543 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001114757674 782373547 /nfs/dbraw/zinc/37/35/47/782373547.db2.gz OFKGBVKOLWTHPZ-IAZYJMLFSA-N 1 1 306.322 -1.573 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001114757674 782373556 /nfs/dbraw/zinc/37/35/56/782373556.db2.gz OFKGBVKOLWTHPZ-IAZYJMLFSA-N 1 1 306.322 -1.573 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001114826532 782378878 /nfs/dbraw/zinc/37/88/78/782378878.db2.gz MJTWRWIHEZQBQE-GOMXZESMSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001114826532 782378883 /nfs/dbraw/zinc/37/88/83/782378883.db2.gz MJTWRWIHEZQBQE-GOMXZESMSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001114826534 782379028 /nfs/dbraw/zinc/37/90/28/782379028.db2.gz MJTWRWIHEZQBQE-MAWWSGROSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001114826534 782379032 /nfs/dbraw/zinc/37/90/32/782379032.db2.gz MJTWRWIHEZQBQE-MAWWSGROSA-N 1 1 308.382 -1.305 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831583 782379581 /nfs/dbraw/zinc/37/95/81/782379581.db2.gz CTPKKRSVJDMQOB-KZWBYHQPSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114832718 782379708 /nfs/dbraw/zinc/37/97/08/782379708.db2.gz WSZDBEAAOGWPAK-KZWBYHQPSA-N 1 1 323.397 -1.288 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001114836039 782380080 /nfs/dbraw/zinc/38/00/80/782380080.db2.gz WDBCWTNDYCMNMO-SVPLCASGSA-N 1 1 322.409 -1.107 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001114836039 782380088 /nfs/dbraw/zinc/38/00/88/782380088.db2.gz WDBCWTNDYCMNMO-SVPLCASGSA-N 1 1 322.409 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838236 782380853 /nfs/dbraw/zinc/38/08/53/782380853.db2.gz UNGZKSFMDXCETJ-BIIVNPBRSA-N 1 1 323.353 -2.390 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838236 782380859 /nfs/dbraw/zinc/38/08/59/782380859.db2.gz UNGZKSFMDXCETJ-BIIVNPBRSA-N 1 1 323.353 -2.390 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843691 782381121 /nfs/dbraw/zinc/38/11/21/782381121.db2.gz SRWCPCVYWQYZRM-MVVXRAEJSA-N 1 1 306.370 -1.332 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843691 782381130 /nfs/dbraw/zinc/38/11/30/782381130.db2.gz SRWCPCVYWQYZRM-MVVXRAEJSA-N 1 1 306.370 -1.332 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114858430 782383285 /nfs/dbraw/zinc/38/32/85/782383285.db2.gz AMLWAQRVGGEARK-XZUYRWCXSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114858430 782383291 /nfs/dbraw/zinc/38/32/91/782383291.db2.gz AMLWAQRVGGEARK-XZUYRWCXSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114858430 782383302 /nfs/dbraw/zinc/38/33/02/782383302.db2.gz AMLWAQRVGGEARK-XZUYRWCXSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114858430 782383316 /nfs/dbraw/zinc/38/33/16/782383316.db2.gz AMLWAQRVGGEARK-XZUYRWCXSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114858430 782383339 /nfs/dbraw/zinc/38/33/39/782383339.db2.gz AMLWAQRVGGEARK-XZUYRWCXSA-N 1 1 304.354 -1.328 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001114843808 782381380 /nfs/dbraw/zinc/38/13/80/782381380.db2.gz VCLXFWRZLPHINT-NHAGDIPZSA-N 1 1 323.397 -1.197 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114841369 782381511 /nfs/dbraw/zinc/38/15/11/782381511.db2.gz UZTICQHVWHVDMY-JYAVWHMHSA-N 1 1 320.397 -1.070 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114841369 782381518 /nfs/dbraw/zinc/38/15/18/782381518.db2.gz UZTICQHVWHVDMY-JYAVWHMHSA-N 1 1 320.397 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843689 782381583 /nfs/dbraw/zinc/38/15/83/782381583.db2.gz SRWCPCVYWQYZRM-GOONRYMUSA-N 1 1 306.370 -1.332 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843689 782381592 /nfs/dbraw/zinc/38/15/92/782381592.db2.gz SRWCPCVYWQYZRM-GOONRYMUSA-N 1 1 306.370 -1.332 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114888359 782387001 /nfs/dbraw/zinc/38/70/01/782387001.db2.gz FRQLKYKCMJNPJS-ZNSHCXBVSA-N 1 1 305.400 -1.383 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114894371 782387290 /nfs/dbraw/zinc/38/72/90/782387290.db2.gz DXNNNYDWQDOGHS-JZYVYDRUSA-N 1 1 308.379 -1.602 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114894371 782387300 /nfs/dbraw/zinc/38/73/00/782387300.db2.gz DXNNNYDWQDOGHS-JZYVYDRUSA-N 1 1 308.379 -1.602 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)N(C)C ZINC001114895177 782387607 /nfs/dbraw/zinc/38/76/07/782387607.db2.gz SGHOWRTUTHEPPR-IAZYJMLFSA-N 1 1 304.416 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114908239 782387777 /nfs/dbraw/zinc/38/77/77/782387777.db2.gz YFBWKLFFHZQVEL-UUIJZJDISA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114908239 782387787 /nfs/dbraw/zinc/38/77/87/782387787.db2.gz YFBWKLFFHZQVEL-UUIJZJDISA-N 1 1 311.382 -1.168 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001114965451 782388567 /nfs/dbraw/zinc/38/85/67/782388567.db2.gz KOYQPFIJKWKEEA-MSRIBSCDSA-N 1 1 322.365 -1.778 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC001114965451 782388575 /nfs/dbraw/zinc/38/85/75/782388575.db2.gz KOYQPFIJKWKEEA-MSRIBSCDSA-N 1 1 322.365 -1.778 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(NC(N)=O)CCCCC1 ZINC001114931126 782388594 /nfs/dbraw/zinc/38/85/94/782388594.db2.gz ZIRAZGUCARWLGA-IAZYJMLFSA-N 1 1 323.397 -1.111 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(NC(N)=O)CCCCC1 ZINC001114931126 782388600 /nfs/dbraw/zinc/38/86/00/782388600.db2.gz ZIRAZGUCARWLGA-IAZYJMLFSA-N 1 1 323.397 -1.111 20 0 DAADMO CC(=O)NCC1(O)CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001041053922 782389044 /nfs/dbraw/zinc/38/90/44/782389044.db2.gz IALOUNNVYPTDGZ-LBPRGKRZSA-N 1 1 309.370 -1.477 20 0 DAADMO Cc1nnc(C[NH2+]CCCN(C)C(=O)CN2C(=O)CNC2=O)o1 ZINC001276373430 782390807 /nfs/dbraw/zinc/39/08/07/782390807.db2.gz VGUSTGZQXLOCBZ-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114852502 782383392 /nfs/dbraw/zinc/38/33/92/782383392.db2.gz QOYMZSQMVAMHFV-FBHFSLSBSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114852502 782383402 /nfs/dbraw/zinc/38/34/02/782383402.db2.gz QOYMZSQMVAMHFV-FBHFSLSBSA-N 1 1 310.354 -1.347 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114865350 782383553 /nfs/dbraw/zinc/38/35/53/782383553.db2.gz VHDNGLMPZPRGNK-MVVXRAEJSA-N 1 1 306.370 -1.082 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114865350 782383565 /nfs/dbraw/zinc/38/35/65/782383565.db2.gz VHDNGLMPZPRGNK-MVVXRAEJSA-N 1 1 306.370 -1.082 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114865350 782383577 /nfs/dbraw/zinc/38/35/77/782383577.db2.gz VHDNGLMPZPRGNK-MVVXRAEJSA-N 1 1 306.370 -1.082 20 0 DAADMO C[C@@H](NC(=O)CC(N)=O)C1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001276360024 782383941 /nfs/dbraw/zinc/38/39/41/782383941.db2.gz JWFWHUJCHLJNDQ-SNVBAGLBSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114872414 782385135 /nfs/dbraw/zinc/38/51/35/782385135.db2.gz LCVDWSLSFODSHV-RQJABVFESA-N 1 1 313.398 -1.044 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114872412 782385201 /nfs/dbraw/zinc/38/52/01/782385201.db2.gz LCVDWSLSFODSHV-RFQIPJPRSA-N 1 1 313.398 -1.044 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114880730 782386301 /nfs/dbraw/zinc/38/63/01/782386301.db2.gz WYMDPRGHUAKCKM-JZYVYDRUSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114880730 782386309 /nfs/dbraw/zinc/38/63/09/782386309.db2.gz WYMDPRGHUAKCKM-JZYVYDRUSA-N 1 1 304.310 -1.669 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001043373592 782399280 /nfs/dbraw/zinc/39/92/80/782399280.db2.gz NUKHWEGANDMKTA-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043070387 782396489 /nfs/dbraw/zinc/39/64/89/782396489.db2.gz NAHFFWMJGLHCDN-NQBHXWOUSA-N 1 1 312.414 -1.017 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043070387 782396500 /nfs/dbraw/zinc/39/65/00/782396500.db2.gz NAHFFWMJGLHCDN-NQBHXWOUSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)O1 ZINC001043066619 782396512 /nfs/dbraw/zinc/39/65/12/782396512.db2.gz DNJDAIFAJCBBOV-RAIGVLPGSA-N 1 1 310.398 -1.263 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)O1 ZINC001043066619 782396523 /nfs/dbraw/zinc/39/65/23/782396523.db2.gz DNJDAIFAJCBBOV-RAIGVLPGSA-N 1 1 310.398 -1.263 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001043373589 782398541 /nfs/dbraw/zinc/39/85/41/782398541.db2.gz NUKHWEGANDMKTA-RYUDHWBXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)C1 ZINC001043385029 782398752 /nfs/dbraw/zinc/39/87/52/782398752.db2.gz LUVXGRXKEUYPFZ-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)C1 ZINC001043385029 782398759 /nfs/dbraw/zinc/39/87/59/782398759.db2.gz LUVXGRXKEUYPFZ-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001043374718 782398902 /nfs/dbraw/zinc/39/89/02/782398902.db2.gz WESSBGZPKKMNHY-OLZOCXBDSA-N 1 1 323.393 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)C1 ZINC001043385030 782398983 /nfs/dbraw/zinc/39/89/83/782398983.db2.gz LUVXGRXKEUYPFZ-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cc[nH]c3)C2)C1 ZINC001043385030 782398993 /nfs/dbraw/zinc/39/89/93/782398993.db2.gz LUVXGRXKEUYPFZ-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001095954185 782403878 /nfs/dbraw/zinc/40/38/78/782403878.db2.gz IAAKZYMZPASGFG-RCWTZXSCSA-N 1 1 304.354 -1.028 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001095954186 782404211 /nfs/dbraw/zinc/40/42/11/782404211.db2.gz IAAKZYMZPASGFG-ZNSHCXBVSA-N 1 1 304.354 -1.028 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047627913 782406470 /nfs/dbraw/zinc/40/64/70/782406470.db2.gz ZQFDJENZOWDECI-RDBSUJKOSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001047627151 782406524 /nfs/dbraw/zinc/40/65/24/782406524.db2.gz MDTCOSJJWQPNKI-WOPDTQHZSA-N 1 1 323.401 -1.835 20 0 DAADMO CN(C(=O)Cc1nc2ncccn2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047627645 782406569 /nfs/dbraw/zinc/40/65/69/782406569.db2.gz SLKICTGWUZNQED-QWRGUYRKSA-N 1 1 320.353 -1.837 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001047627699 782406647 /nfs/dbraw/zinc/40/66/47/782406647.db2.gz UTYOAPICWDYIIY-AVGNSLFASA-N 1 1 322.413 -1.230 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047626792 782406946 /nfs/dbraw/zinc/40/69/46/782406946.db2.gz FLGCIPAFXKEEMF-XBFCOCLRSA-N 1 1 324.425 -1.280 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945676 782400036 /nfs/dbraw/zinc/40/00/36/782400036.db2.gz CBMFDZRARYOKEM-RCWTZXSCSA-N 1 1 309.370 -1.523 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001095945676 782400044 /nfs/dbraw/zinc/40/00/44/782400044.db2.gz CBMFDZRARYOKEM-RCWTZXSCSA-N 1 1 309.370 -1.523 20 0 DAADMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCC1 ZINC001095946093 782400487 /nfs/dbraw/zinc/40/04/87/782400487.db2.gz OCLUPHAUWXNLIP-RHYQMDGZSA-N 1 1 321.381 -1.378 20 0 DAADMO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCC1 ZINC001095946093 782400489 /nfs/dbraw/zinc/40/04/89/782400489.db2.gz OCLUPHAUWXNLIP-RHYQMDGZSA-N 1 1 321.381 -1.378 20 0 DAADMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCC1 ZINC001095946092 782400505 /nfs/dbraw/zinc/40/05/05/782400505.db2.gz OCLUPHAUWXNLIP-KXNHARMFSA-N 1 1 321.381 -1.378 20 0 DAADMO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCC1 ZINC001095946092 782400507 /nfs/dbraw/zinc/40/05/07/782400507.db2.gz OCLUPHAUWXNLIP-KXNHARMFSA-N 1 1 321.381 -1.378 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001096337364 782411715 /nfs/dbraw/zinc/41/17/15/782411715.db2.gz XHTMNLRJXPFINM-VWYCJHECSA-N 1 1 310.354 -1.406 20 0 DAADMO COc1ccnc(N2CC[NH+](CCCNC(=O)C(N)=O)CC2)n1 ZINC001096256766 782407959 /nfs/dbraw/zinc/40/79/59/782407959.db2.gz OIHDVHLGXJVVCZ-UHFFFAOYSA-N 1 1 322.369 -1.401 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001047629207 782408169 /nfs/dbraw/zinc/40/81/69/782408169.db2.gz STTOTLITAFDTAK-XBFCOCLRSA-N 1 1 322.413 -1.230 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001047630244 782408241 /nfs/dbraw/zinc/40/82/41/782408241.db2.gz NRVLRHHUJUYKRV-ZHAHWJHGSA-N 1 1 310.354 -1.389 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)O)c(=O)n1C ZINC001096460630 782413179 /nfs/dbraw/zinc/41/31/79/782413179.db2.gz ZKQLRULVQAOVJY-RYDUCSDGSA-N 1 1 323.397 -1.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509349 782413775 /nfs/dbraw/zinc/41/37/75/782413775.db2.gz HTFCNJYWUXBOBA-ZNSHCXBVSA-N 1 1 322.365 -1.269 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509349 782413779 /nfs/dbraw/zinc/41/37/79/782413779.db2.gz HTFCNJYWUXBOBA-ZNSHCXBVSA-N 1 1 322.365 -1.269 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622056 782414083 /nfs/dbraw/zinc/41/40/83/782414083.db2.gz IXURCHYHOSCPJY-VWYCJHECSA-N 1 1 321.381 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622056 782414086 /nfs/dbraw/zinc/41/40/86/782414086.db2.gz IXURCHYHOSCPJY-VWYCJHECSA-N 1 1 321.381 -1.195 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001096680408 782414147 /nfs/dbraw/zinc/41/41/47/782414147.db2.gz KMQGFFVLLFRJFG-VLEAKVRGSA-N 1 1 322.365 -1.493 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001096680408 782414152 /nfs/dbraw/zinc/41/41/52/782414152.db2.gz KMQGFFVLLFRJFG-VLEAKVRGSA-N 1 1 322.365 -1.493 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)[nH]c1=O ZINC001096532543 782414201 /nfs/dbraw/zinc/41/42/01/782414201.db2.gz LMZQKVDDDKLBLW-MIMYLULJSA-N 1 1 308.338 -1.187 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096501845 782414321 /nfs/dbraw/zinc/41/43/21/782414321.db2.gz MQARPMPEFFMGED-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096501845 782414326 /nfs/dbraw/zinc/41/43/26/782414326.db2.gz MQARPMPEFFMGED-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096609503 782414395 /nfs/dbraw/zinc/41/43/95/782414395.db2.gz PSGSXDLUSNUUFJ-SVDPJWKOSA-N 1 1 322.369 -1.521 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502517 782414849 /nfs/dbraw/zinc/41/48/49/782414849.db2.gz XYFLNLHVSUBTLW-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)[C@@H]1CCS(=O)(=O)N1 ZINC001096565823 782414952 /nfs/dbraw/zinc/41/49/52/782414952.db2.gz OOJVBHMBQAOZKD-RCWTZXSCSA-N 1 1 303.384 -1.608 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096781837 782416344 /nfs/dbraw/zinc/41/63/44/782416344.db2.gz GWJYXJCEKMUQRO-KKOKHZNYSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096781837 782416350 /nfs/dbraw/zinc/41/63/50/782416350.db2.gz GWJYXJCEKMUQRO-KKOKHZNYSA-N 1 1 321.385 -1.129 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782217 782416600 /nfs/dbraw/zinc/41/66/00/782416600.db2.gz WDUZWLXZEFWDGE-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782217 782416604 /nfs/dbraw/zinc/41/66/04/782416604.db2.gz WDUZWLXZEFWDGE-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981709 782417218 /nfs/dbraw/zinc/41/72/18/782417218.db2.gz YDVLJVQURPYOGZ-BBBLOLIVSA-N 1 1 308.342 -1.549 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981709 782417224 /nfs/dbraw/zinc/41/72/24/782417224.db2.gz YDVLJVQURPYOGZ-BBBLOLIVSA-N 1 1 308.342 -1.549 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096975533 782417699 /nfs/dbraw/zinc/41/76/99/782417699.db2.gz MWEKEPVLOKXZIR-LOWDOPEQSA-N 1 1 310.398 -1.086 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096975533 782417704 /nfs/dbraw/zinc/41/77/04/782417704.db2.gz MWEKEPVLOKXZIR-LOWDOPEQSA-N 1 1 310.398 -1.086 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001096983283 782418021 /nfs/dbraw/zinc/41/80/21/782418021.db2.gz GXWPJOVEGWTJEZ-ZNSHCXBVSA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001096983283 782418023 /nfs/dbraw/zinc/41/80/23/782418023.db2.gz GXWPJOVEGWTJEZ-ZNSHCXBVSA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001097078135 782419528 /nfs/dbraw/zinc/41/95/28/782419528.db2.gz OQTOJKOYVWOIIQ-UTUOFQBUSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001097078135 782419535 /nfs/dbraw/zinc/41/95/35/782419535.db2.gz OQTOJKOYVWOIIQ-UTUOFQBUSA-N 1 1 319.369 -1.373 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081626 782419873 /nfs/dbraw/zinc/41/98/73/782419873.db2.gz KCYSKXXBNBRVSW-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081626 782419876 /nfs/dbraw/zinc/41/98/76/782419876.db2.gz KCYSKXXBNBRVSW-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001097175738 782420004 /nfs/dbraw/zinc/42/00/04/782420004.db2.gz RCJIDDLJRQQMCP-UTUOFQBUSA-N 1 1 322.365 -1.739 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001097104966 782420403 /nfs/dbraw/zinc/42/04/03/782420403.db2.gz PVPVXOALMXBLAM-MXWKQRLJSA-N 1 1 322.369 -1.255 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097422509 782420915 /nfs/dbraw/zinc/42/09/15/782420915.db2.gz CRBRVNRISHSUMS-KKOKHZNYSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097422509 782420921 /nfs/dbraw/zinc/42/09/21/782420921.db2.gz CRBRVNRISHSUMS-KKOKHZNYSA-N 1 1 323.397 -1.003 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001096778303 782416034 /nfs/dbraw/zinc/41/60/34/782416034.db2.gz IDVKSMWROGRZCC-ZNSHCXBVSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001096778303 782416037 /nfs/dbraw/zinc/41/60/37/782416037.db2.gz IDVKSMWROGRZCC-ZNSHCXBVSA-N 1 1 305.342 -1.717 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001097243965 782422526 /nfs/dbraw/zinc/42/25/26/782422526.db2.gz XRBYUIFAVIEWDY-IMSYWVGJSA-N 1 1 323.353 -1.948 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001097243965 782422532 /nfs/dbraw/zinc/42/25/32/782422532.db2.gz XRBYUIFAVIEWDY-IMSYWVGJSA-N 1 1 323.353 -1.948 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111448731 782422566 /nfs/dbraw/zinc/42/25/66/782422566.db2.gz WOELKOWLGZNQOL-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001097249636 782422859 /nfs/dbraw/zinc/42/28/59/782422859.db2.gz KFHBSIHYPONKLL-BFLSOPEQSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001097249636 782422864 /nfs/dbraw/zinc/42/28/64/782422864.db2.gz KFHBSIHYPONKLL-BFLSOPEQSA-N 1 1 319.365 -1.011 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111452068 782423914 /nfs/dbraw/zinc/42/39/14/782423914.db2.gz JFYKAZUDXITUGL-UTUOFQBUSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCC1 ZINC001097753930 782426669 /nfs/dbraw/zinc/42/66/69/782426669.db2.gz OCLUPHAUWXNLIP-WYUUTHIRSA-N 1 1 321.381 -1.378 20 0 DAADMO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCC1 ZINC001097753930 782426673 /nfs/dbraw/zinc/42/66/73/782426673.db2.gz OCLUPHAUWXNLIP-WYUUTHIRSA-N 1 1 321.381 -1.378 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001097765909 782426884 /nfs/dbraw/zinc/42/68/84/782426884.db2.gz IAAKZYMZPASGFG-YTWAJWBKSA-N 1 1 304.354 -1.028 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100276382 782429221 /nfs/dbraw/zinc/42/92/21/782429221.db2.gz FBRXFIJOTVXLBZ-UEJVZZJDSA-N 1 1 310.362 -1.749 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232194 782422097 /nfs/dbraw/zinc/42/20/97/782422097.db2.gz IPAKQHWGHMOETG-QCNOEVLYSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232194 782422102 /nfs/dbraw/zinc/42/21/02/782422102.db2.gz IPAKQHWGHMOETG-QCNOEVLYSA-N 1 1 324.381 -1.560 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)S1(=O)=O ZINC001098017132 782431528 /nfs/dbraw/zinc/43/15/28/782431528.db2.gz VEDIFCAEXVHSQM-WISYIIOYSA-N 1 1 317.411 -1.266 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)S1(=O)=O ZINC001098017132 782431532 /nfs/dbraw/zinc/43/15/32/782431532.db2.gz VEDIFCAEXVHSQM-WISYIIOYSA-N 1 1 317.411 -1.266 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C1CC2(C1)NC(=O)NC2=O ZINC001098021563 782432490 /nfs/dbraw/zinc/43/24/90/782432490.db2.gz UDWYGSISMXOZSX-WBYXNYCFSA-N 1 1 322.365 -1.312 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](N3CCN(CCO)CC3)C2)n1 ZINC001052098228 782432773 /nfs/dbraw/zinc/43/27/73/782432773.db2.gz FRYDIBHHTWSIDD-LBPRGKRZSA-N 1 1 308.386 -1.361 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098051740 782433614 /nfs/dbraw/zinc/43/36/14/782433614.db2.gz SAMOMTKBFWOJDI-KYXWUPHJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098051740 782433622 /nfs/dbraw/zinc/43/36/22/782433622.db2.gz SAMOMTKBFWOJDI-KYXWUPHJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098055894 782434127 /nfs/dbraw/zinc/43/41/27/782434127.db2.gz XANFKZPCLRQZKH-ZDCRXTMVSA-N 1 1 310.354 -1.360 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001098334503 782439130 /nfs/dbraw/zinc/43/91/30/782439130.db2.gz HFMDIRNDDDFJNR-SPFNVWMYSA-N 1 1 319.365 -1.011 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069904138 782435165 /nfs/dbraw/zinc/43/51/65/782435165.db2.gz JRQBZIBRXXQHJK-NEPJUHHUSA-N 1 1 306.326 -1.157 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069904138 782435171 /nfs/dbraw/zinc/43/51/71/782435171.db2.gz JRQBZIBRXXQHJK-NEPJUHHUSA-N 1 1 306.326 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001098334503 782439135 /nfs/dbraw/zinc/43/91/35/782439135.db2.gz HFMDIRNDDDFJNR-SPFNVWMYSA-N 1 1 319.365 -1.011 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069917337 782437001 /nfs/dbraw/zinc/43/70/01/782437001.db2.gz NBSLVKSASVPGJM-PWSUYJOCSA-N 1 1 320.357 -1.292 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069917337 782437009 /nfs/dbraw/zinc/43/70/09/782437009.db2.gz NBSLVKSASVPGJM-PWSUYJOCSA-N 1 1 320.357 -1.292 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)n1cncn1 ZINC001069912150 782437259 /nfs/dbraw/zinc/43/72/59/782437259.db2.gz PIXATCBKUUFMOQ-TUAOUCFPSA-N 1 1 320.357 -1.535 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)n1cncn1 ZINC001069912150 782437263 /nfs/dbraw/zinc/43/72/63/782437263.db2.gz PIXATCBKUUFMOQ-TUAOUCFPSA-N 1 1 320.357 -1.535 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098688693 782444754 /nfs/dbraw/zinc/44/47/54/782444754.db2.gz WDKSHESLDJJQIS-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098659685 782444993 /nfs/dbraw/zinc/44/49/93/782444993.db2.gz RKYGGHQQVRPCJV-GFCCVEGCSA-N 1 1 324.385 -1.076 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001098209391 782439696 /nfs/dbraw/zinc/43/96/96/782439696.db2.gz XHTMNLRJXPFINM-MXWKQRLJSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001098346851 782439816 /nfs/dbraw/zinc/43/98/16/782439816.db2.gz CXQUZMBNWKZSPJ-QCNOEVLYSA-N 1 1 324.381 -1.017 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098720617 782445306 /nfs/dbraw/zinc/44/53/06/782445306.db2.gz KXROOEDLWBQYEU-GWCFXTLKSA-N 1 1 307.358 -1.610 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098441411 782441431 /nfs/dbraw/zinc/44/14/31/782441431.db2.gz NOSDTVPXRGEPCF-MQYQWHSLSA-N 1 1 311.382 -1.053 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098398314 782441852 /nfs/dbraw/zinc/44/18/52/782441852.db2.gz OGNUEMHGLHCOHI-UHFFFAOYSA-N 1 1 314.386 -1.732 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)[C@@H]1CCS(=O)(=O)N1 ZINC001098428700 782442208 /nfs/dbraw/zinc/44/22/08/782442208.db2.gz OOJVBHMBQAOZKD-YTWAJWBKSA-N 1 1 303.384 -1.608 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098464279 782442287 /nfs/dbraw/zinc/44/22/87/782442287.db2.gz UWHYORCRMVGYRF-FOGDFJRCSA-N 1 1 322.369 -1.255 20 0 DAADMO Cn1cncc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098420332 782442487 /nfs/dbraw/zinc/44/24/87/782442487.db2.gz YXXMOIKARHJGJR-UHFFFAOYSA-N 1 1 309.370 -1.196 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098619061 782444110 /nfs/dbraw/zinc/44/41/10/782444110.db2.gz RWYPCQUZTDDLRE-ZDUSSCGKSA-N 1 1 324.385 -1.388 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098697019 782444556 /nfs/dbraw/zinc/44/45/56/782444556.db2.gz BQFGDXRXEWMLFR-NSHDSACASA-N 1 1 320.357 -1.126 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607919 782453726 /nfs/dbraw/zinc/45/37/26/782453726.db2.gz SQPYKWWTGZHVEA-YUMQZZPRSA-N 1 1 315.342 -1.648 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607919 782453729 /nfs/dbraw/zinc/45/37/29/782453729.db2.gz SQPYKWWTGZHVEA-YUMQZZPRSA-N 1 1 315.342 -1.648 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098722838 782446147 /nfs/dbraw/zinc/44/61/47/782446147.db2.gz BWPJKAFYUGBSDN-MJVIPROJSA-N 1 1 321.385 -1.092 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098706136 782446769 /nfs/dbraw/zinc/44/67/69/782446769.db2.gz SHVNVZHXJQFMBZ-QWRGUYRKSA-N 1 1 323.357 -2.185 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)n1 ZINC001098846937 782448148 /nfs/dbraw/zinc/44/81/48/782448148.db2.gz YKOXKRGBNUJMDS-HZMBPMFUSA-N 1 1 322.369 -1.660 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001099108745 782448347 /nfs/dbraw/zinc/44/83/47/782448347.db2.gz TYCNAAGQYFRIJV-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001099003118 782448809 /nfs/dbraw/zinc/44/88/09/782448809.db2.gz DIFHZCGEPBLEFR-RWSFTLGLSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCNC2=O)C3)n1 ZINC001098976324 782448916 /nfs/dbraw/zinc/44/89/16/782448916.db2.gz MNNKREHBSZUDFT-RBZYPMLTSA-N 1 1 319.369 -1.317 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001098974317 782448967 /nfs/dbraw/zinc/44/89/67/782448967.db2.gz OWFGXMYOPNADFC-WFASDCNBSA-N 1 1 310.398 -1.619 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001099080977 782449056 /nfs/dbraw/zinc/44/90/56/782449056.db2.gz MCDCLNRRVDVFHH-ZETOZRRWSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099298212 782449431 /nfs/dbraw/zinc/44/94/31/782449431.db2.gz WEWJYHCJIOQXEB-DSYKOEDSSA-N 1 1 323.275 -1.868 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099297192 782449446 /nfs/dbraw/zinc/44/94/46/782449446.db2.gz IKLLCLKDNLBOMI-FSDSQADBSA-N 1 1 308.260 -1.661 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001099153796 782449493 /nfs/dbraw/zinc/44/94/93/782449493.db2.gz MPDOYGWZDAIGBW-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001099153796 782449499 /nfs/dbraw/zinc/44/94/99/782449499.db2.gz MPDOYGWZDAIGBW-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001099298552 782449570 /nfs/dbraw/zinc/44/95/70/782449570.db2.gz ZMBOTJWMVNKJDJ-GJMOJQLCSA-N 1 1 322.287 -1.271 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099247051 782449844 /nfs/dbraw/zinc/44/98/44/782449844.db2.gz RFPKMGRYQJIDHJ-RNFRBKRXSA-N 1 1 320.275 -1.107 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1=O ZINC001099118293 782450321 /nfs/dbraw/zinc/45/03/21/782450321.db2.gz JQDVPIYJGUGDCN-NHYWBVRUSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F ZINC001099208165 782450380 /nfs/dbraw/zinc/45/03/80/782450380.db2.gz URDRHGZRYDZCIE-RNFRBKRXSA-N 1 1 321.263 -1.863 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001099289832 782450463 /nfs/dbraw/zinc/45/04/63/782450463.db2.gz DJUUBTLSTRZDFP-XLPZGREQSA-N 1 1 322.287 -1.413 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001099152464 782450534 /nfs/dbraw/zinc/45/05/34/782450534.db2.gz KUPWYQUKBWJYPB-ZETOZRRWSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(F)(F)F ZINC001099252409 782450650 /nfs/dbraw/zinc/45/06/50/782450650.db2.gz MNAWSIGSAPVYSD-RNFRBKRXSA-N 1 1 321.263 -1.863 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001099296858 782450852 /nfs/dbraw/zinc/45/08/52/782450852.db2.gz APWQXERNOXHRFE-HTQZYQBOSA-N 1 1 322.287 -1.317 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001099607479 782454331 /nfs/dbraw/zinc/45/43/31/782454331.db2.gz NESBIDQTDNOSTB-NEPJUHHUSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099402120 782451993 /nfs/dbraw/zinc/45/19/93/782451993.db2.gz QJHALGAEFKSKLQ-QCNOEVLYSA-N 1 1 323.397 -1.431 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099631353 782457089 /nfs/dbraw/zinc/45/70/89/782457089.db2.gz VVHIDSPOYSBGHG-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099631353 782457094 /nfs/dbraw/zinc/45/70/94/782457094.db2.gz VVHIDSPOYSBGHG-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099629744 782457113 /nfs/dbraw/zinc/45/71/13/782457113.db2.gz GYZZPEYVMGHILP-ZIAGYGMSSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099630129 782457126 /nfs/dbraw/zinc/45/71/26/782457126.db2.gz MIVWYLPHNGWOCS-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099630129 782457130 /nfs/dbraw/zinc/45/71/30/782457130.db2.gz MIVWYLPHNGWOCS-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630648 782457189 /nfs/dbraw/zinc/45/71/89/782457189.db2.gz PQPCDYVEAQSTDI-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630648 782457192 /nfs/dbraw/zinc/45/71/92/782457192.db2.gz PQPCDYVEAQSTDI-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099631335 782457515 /nfs/dbraw/zinc/45/75/15/782457515.db2.gz VRQSINUQIHWEBU-OCCSQVGLSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099629939 782457667 /nfs/dbraw/zinc/45/76/67/782457667.db2.gz JYJVTFXZDVGJSG-UONOGXRCSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099629939 782457671 /nfs/dbraw/zinc/45/76/71/782457671.db2.gz JYJVTFXZDVGJSG-UONOGXRCSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099635486 782458807 /nfs/dbraw/zinc/45/88/07/782458807.db2.gz DYOYAPPRUNIVBD-NEPJUHHUSA-N 1 1 310.358 -2.034 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099635487 782459167 /nfs/dbraw/zinc/45/91/67/782459167.db2.gz DYOYAPPRUNIVBD-NWDGAFQWSA-N 1 1 310.358 -2.034 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001099631549 782459325 /nfs/dbraw/zinc/45/93/25/782459325.db2.gz WXJBHBIHYWSZEA-KBPBESRZSA-N 1 1 323.397 -1.350 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099632647 782459652 /nfs/dbraw/zinc/45/96/52/782459652.db2.gz HJPVZUITAWBNQD-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099632647 782459656 /nfs/dbraw/zinc/45/96/56/782459656.db2.gz HJPVZUITAWBNQD-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099637692 782460153 /nfs/dbraw/zinc/46/01/53/782460153.db2.gz ZCCJWGJEDWEFKU-UONOGXRCSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099637692 782460156 /nfs/dbraw/zinc/46/01/56/782460156.db2.gz ZCCJWGJEDWEFKU-UONOGXRCSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001099631552 782460188 /nfs/dbraw/zinc/46/01/88/782460188.db2.gz WXJBHBIHYWSZEA-ZIAGYGMSSA-N 1 1 323.397 -1.350 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645223 782460629 /nfs/dbraw/zinc/46/06/29/782460629.db2.gz NYUXPOOQPUWHDJ-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099665216 782463887 /nfs/dbraw/zinc/46/38/87/782463887.db2.gz CSIRHKBCBPVHJR-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099665216 782463890 /nfs/dbraw/zinc/46/38/90/782463890.db2.gz CSIRHKBCBPVHJR-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099660905 782463900 /nfs/dbraw/zinc/46/39/00/782463900.db2.gz RRDYREXCGQSHHF-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099660905 782463904 /nfs/dbraw/zinc/46/39/04/782463904.db2.gz RRDYREXCGQSHHF-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665689 782465023 /nfs/dbraw/zinc/46/50/23/782465023.db2.gz LBKQLUZECITHJR-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665689 782465031 /nfs/dbraw/zinc/46/50/31/782465031.db2.gz LBKQLUZECITHJR-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665691 782465324 /nfs/dbraw/zinc/46/53/24/782465324.db2.gz LCNJUWQCYWSOEX-GHMZBOCLSA-N 1 1 318.374 -2.131 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)ncn1 ZINC001099666271 782465345 /nfs/dbraw/zinc/46/53/45/782465345.db2.gz SQFFPKPNLFWSBO-NEPJUHHUSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)ncn1 ZINC001099666271 782465355 /nfs/dbraw/zinc/46/53/55/782465355.db2.gz SQFFPKPNLFWSBO-NEPJUHHUSA-N 1 1 322.369 -1.495 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665687 782465547 /nfs/dbraw/zinc/46/55/47/782465547.db2.gz LBKQLUZECITHJR-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665687 782465549 /nfs/dbraw/zinc/46/55/49/782465549.db2.gz LBKQLUZECITHJR-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665694 782465686 /nfs/dbraw/zinc/46/56/86/782465686.db2.gz LCNJUWQCYWSOEX-WDEREUQCSA-N 1 1 318.374 -2.131 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)ncn1 ZINC001099666272 782465985 /nfs/dbraw/zinc/46/59/85/782465985.db2.gz SQFFPKPNLFWSBO-NWDGAFQWSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)ncn1 ZINC001099666272 782465987 /nfs/dbraw/zinc/46/59/87/782465987.db2.gz SQFFPKPNLFWSBO-NWDGAFQWSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)o1 ZINC001099668298 782467812 /nfs/dbraw/zinc/46/78/12/782467812.db2.gz BVBRUDGZSPJXPX-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)o1 ZINC001099668298 782467819 /nfs/dbraw/zinc/46/78/19/782467819.db2.gz BVBRUDGZSPJXPX-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099660920 782462672 /nfs/dbraw/zinc/46/26/72/782462672.db2.gz RRDYREXCGQSHHF-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099660920 782462677 /nfs/dbraw/zinc/46/26/77/782462677.db2.gz RRDYREXCGQSHHF-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099663100 782462941 /nfs/dbraw/zinc/46/29/41/782462941.db2.gz JAXUCCOVTDRQSF-STQMWFEESA-N 1 1 323.397 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099663100 782462950 /nfs/dbraw/zinc/46/29/50/782462950.db2.gz JAXUCCOVTDRQSF-STQMWFEESA-N 1 1 323.397 -1.041 20 0 DAADMO CC(C)OCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099730440 782473770 /nfs/dbraw/zinc/47/37/70/782473770.db2.gz VBKQJWGOSQICNY-QWHCGFSZSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnsn1 ZINC001099689133 782468654 /nfs/dbraw/zinc/46/86/54/782468654.db2.gz CWPJXXSBJBZEMY-MWLCHTKSSA-N 1 1 316.383 -1.288 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684434 782469338 /nfs/dbraw/zinc/46/93/38/782469338.db2.gz RPRNIIGNEAVQNO-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684434 782469339 /nfs/dbraw/zinc/46/93/39/782469339.db2.gz RPRNIIGNEAVQNO-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099689581 782469348 /nfs/dbraw/zinc/46/93/48/782469348.db2.gz GZUINRRINDTRHZ-NWDGAFQWSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099689581 782469350 /nfs/dbraw/zinc/46/93/50/782469350.db2.gz GZUINRRINDTRHZ-NWDGAFQWSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099689586 782469595 /nfs/dbraw/zinc/46/95/95/782469595.db2.gz HBKIGIXCYYSBGK-CHWSQXEVSA-N 1 1 324.385 -1.692 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099704868 782469918 /nfs/dbraw/zinc/46/99/18/782469918.db2.gz RQEGUIZCIAHLJQ-VHSXEESVSA-N 1 1 316.358 -2.018 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099704868 782469939 /nfs/dbraw/zinc/46/99/39/782469939.db2.gz RQEGUIZCIAHLJQ-VHSXEESVSA-N 1 1 316.358 -2.018 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099708173 782470573 /nfs/dbraw/zinc/47/05/73/782470573.db2.gz YUYHSRBRJPMGNJ-WDEREUQCSA-N 1 1 303.359 -1.070 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099713287 782470660 /nfs/dbraw/zinc/47/06/60/782470660.db2.gz VQJPJSNHBXTOAC-YPMHNXCESA-N 1 1 312.370 -1.406 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099737857 782472601 /nfs/dbraw/zinc/47/26/01/782472601.db2.gz FICCYENRQDSEOO-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099737857 782472605 /nfs/dbraw/zinc/47/26/05/782472605.db2.gz FICCYENRQDSEOO-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001099728021 782472745 /nfs/dbraw/zinc/47/27/45/782472745.db2.gz URVXCHXZXBZADD-DGCLKSJQSA-N 1 1 312.370 -1.108 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099738466 782472919 /nfs/dbraw/zinc/47/29/19/782472919.db2.gz NSEIDPYKSDZKND-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099738466 782472927 /nfs/dbraw/zinc/47/29/27/782472927.db2.gz NSEIDPYKSDZKND-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099777953 782480378 /nfs/dbraw/zinc/48/03/78/782480378.db2.gz DGVXEMYKLHEZHK-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)c1 ZINC001099768334 782480924 /nfs/dbraw/zinc/48/09/24/782480924.db2.gz BMWAXJBWUOKQKJ-AAEUAGOBSA-N 1 1 312.370 -1.406 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099748656 782477417 /nfs/dbraw/zinc/47/74/17/782477417.db2.gz AMEFADPMVWPMOS-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757225 782477894 /nfs/dbraw/zinc/47/78/94/782477894.db2.gz AZJRDRUUXFOFGB-MNOVXSKESA-N 1 1 314.386 -1.720 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757225 782477898 /nfs/dbraw/zinc/47/78/98/782477898.db2.gz AZJRDRUUXFOFGB-MNOVXSKESA-N 1 1 314.386 -1.720 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758091 782478569 /nfs/dbraw/zinc/47/85/69/782478569.db2.gz OAWZGDJHALAHTA-NWDGAFQWSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758091 782478572 /nfs/dbraw/zinc/47/85/72/782478572.db2.gz OAWZGDJHALAHTA-NWDGAFQWSA-N 1 1 309.370 -1.345 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099792355 782487012 /nfs/dbraw/zinc/48/70/12/782487012.db2.gz SVJKDHWSTHBSQO-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099792355 782487014 /nfs/dbraw/zinc/48/70/14/782487014.db2.gz SVJKDHWSTHBSQO-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099788444 782483738 /nfs/dbraw/zinc/48/37/38/782483738.db2.gz FBQQVKXOUGFGEZ-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099788444 782483747 /nfs/dbraw/zinc/48/37/47/782483747.db2.gz FBQQVKXOUGFGEZ-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099791579 782484398 /nfs/dbraw/zinc/48/43/98/782484398.db2.gz HESFVQCGHDHECT-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cnn1 ZINC001099791864 782485160 /nfs/dbraw/zinc/48/51/60/782485160.db2.gz LQEXYRMEZCMJBJ-UONOGXRCSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099791345 782485551 /nfs/dbraw/zinc/48/55/51/782485551.db2.gz DBBLFQSXSNITPE-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099791250 782485562 /nfs/dbraw/zinc/48/55/62/782485562.db2.gz BMRIEHJACSZMPR-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099791250 782485565 /nfs/dbraw/zinc/48/55/65/782485565.db2.gz BMRIEHJACSZMPR-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099792170 782486893 /nfs/dbraw/zinc/48/68/93/782486893.db2.gz PYSXWGUHOCJVON-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099788550 782482271 /nfs/dbraw/zinc/48/22/71/782482271.db2.gz GQXIJOUKAMXPOB-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099788550 782482276 /nfs/dbraw/zinc/48/22/76/782482276.db2.gz GQXIJOUKAMXPOB-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099799838 782489288 /nfs/dbraw/zinc/48/92/88/782489288.db2.gz SUCWCRGSNVEORJ-CHWSQXEVSA-N 1 1 324.381 -1.041 20 0 DAADMO Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099799840 782489311 /nfs/dbraw/zinc/48/93/11/782489311.db2.gz SUCWCRGSNVEORJ-QWHCGFSZSA-N 1 1 324.381 -1.041 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801957 782489344 /nfs/dbraw/zinc/48/93/44/782489344.db2.gz MYWCKTZAXRVFAN-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801957 782489346 /nfs/dbraw/zinc/48/93/46/782489346.db2.gz MYWCKTZAXRVFAN-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804351 782490724 /nfs/dbraw/zinc/49/07/24/782490724.db2.gz LWUCYFWRTXVPJG-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804351 782490729 /nfs/dbraw/zinc/49/07/29/782490729.db2.gz LWUCYFWRTXVPJG-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001099802229 782491077 /nfs/dbraw/zinc/49/10/77/782491077.db2.gz RFSRJADSTLWOSU-JQWIXIFHSA-N 1 1 313.358 -2.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804348 782491314 /nfs/dbraw/zinc/49/13/14/782491314.db2.gz LWUCYFWRTXVPJG-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804348 782491320 /nfs/dbraw/zinc/49/13/20/782491320.db2.gz LWUCYFWRTXVPJG-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099802024 782491547 /nfs/dbraw/zinc/49/15/47/782491547.db2.gz OBHWJQWKGCBMQR-CMPLNLGQSA-N 1 1 313.358 -2.011 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099812730 782492176 /nfs/dbraw/zinc/49/21/76/782492176.db2.gz HDTXKUUXORHPQG-GHMZBOCLSA-N 1 1 302.375 -1.761 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099802027 782489965 /nfs/dbraw/zinc/48/99/65/782489965.db2.gz OBHWJQWKGCBMQR-ZYHUDNBSSA-N 1 1 313.358 -2.011 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838691 782496419 /nfs/dbraw/zinc/49/64/19/782496419.db2.gz QTHFYEHQPRSLBH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099841284 782497318 /nfs/dbraw/zinc/49/73/18/782497318.db2.gz JNVJDAVGYWMZGP-GHMZBOCLSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099841284 782497326 /nfs/dbraw/zinc/49/73/26/782497326.db2.gz JNVJDAVGYWMZGP-GHMZBOCLSA-N 1 1 319.427 -1.113 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838689 782497400 /nfs/dbraw/zinc/49/74/00/782497400.db2.gz QTHFYEHQPRSLBH-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099812731 782493213 /nfs/dbraw/zinc/49/32/13/782493213.db2.gz HDTXKUUXORHPQG-MNOVXSKESA-N 1 1 302.375 -1.761 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824438 782493468 /nfs/dbraw/zinc/49/34/68/782493468.db2.gz SYZUKBBUGQQJSA-RYUDHWBXSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824438 782493476 /nfs/dbraw/zinc/49/34/76/782493476.db2.gz SYZUKBBUGQQJSA-RYUDHWBXSA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099832139 782494064 /nfs/dbraw/zinc/49/40/64/782494064.db2.gz BWVHHCKTLVISCI-VXGBXAGGSA-N 1 1 314.386 -1.665 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099860673 782498575 /nfs/dbraw/zinc/49/85/75/782498575.db2.gz GIDJMBWKCJYJRR-NWDGAFQWSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860348 782498729 /nfs/dbraw/zinc/49/87/29/782498729.db2.gz AHGJWKWKCWVOPX-GHMZBOCLSA-N 1 1 307.416 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099857952 782498854 /nfs/dbraw/zinc/49/88/54/782498854.db2.gz FKTYWEKRYQTGJG-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099857952 782498860 /nfs/dbraw/zinc/49/88/60/782498860.db2.gz FKTYWEKRYQTGJG-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099860684 782498915 /nfs/dbraw/zinc/49/89/15/782498915.db2.gz GNAKBAJAWOTZPY-GHMZBOCLSA-N 1 1 323.415 -2.141 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001099861375 782501516 /nfs/dbraw/zinc/50/15/16/782501516.db2.gz RFJVXTGCCDDBBG-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001099861375 782501524 /nfs/dbraw/zinc/50/15/24/782501524.db2.gz RFJVXTGCCDDBBG-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099857875 782499567 /nfs/dbraw/zinc/49/95/67/782499567.db2.gz DJACNKHGJNIHGC-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099861416 782501719 /nfs/dbraw/zinc/50/17/19/782501719.db2.gz SEBFADHJRQKZFM-GHMZBOCLSA-N 1 1 323.415 -2.141 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099860988 782500223 /nfs/dbraw/zinc/50/02/23/782500223.db2.gz LFRDUHWNIYSKJV-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099860988 782500232 /nfs/dbraw/zinc/50/02/32/782500232.db2.gz LFRDUHWNIYSKJV-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880137 782503584 /nfs/dbraw/zinc/50/35/84/782503584.db2.gz VXFLSSBNDQFWBL-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C2)cn1 ZINC001099881589 782503824 /nfs/dbraw/zinc/50/38/24/782503824.db2.gz DXMZIICUXLMGOP-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C2)cn1 ZINC001099881589 782503827 /nfs/dbraw/zinc/50/38/27/782503827.db2.gz DXMZIICUXLMGOP-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099863975 782503965 /nfs/dbraw/zinc/50/39/65/782503965.db2.gz PASQOQVXJUCQHQ-WDEREUQCSA-N 1 1 318.374 -2.524 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099865058 782504031 /nfs/dbraw/zinc/50/40/31/782504031.db2.gz YIMAHSKPVDWLAW-NEPJUHHUSA-N 1 1 324.385 -1.637 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001099861373 782501820 /nfs/dbraw/zinc/50/18/20/782501820.db2.gz RFJVXTGCCDDBBG-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O)S(C)(=O)=O ZINC001099861373 782501826 /nfs/dbraw/zinc/50/18/26/782501826.db2.gz RFJVXTGCCDDBBG-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099863230 782502239 /nfs/dbraw/zinc/50/22/39/782502239.db2.gz KISWTOHUBNSDGN-QWRGUYRKSA-N 1 1 305.350 -1.388 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099863230 782502247 /nfs/dbraw/zinc/50/22/47/782502247.db2.gz KISWTOHUBNSDGN-QWRGUYRKSA-N 1 1 305.350 -1.388 20 0 DAADMO CCNC(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916173 782511115 /nfs/dbraw/zinc/51/11/15/782511115.db2.gz KBNWUZADNOOSLD-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888240 782505835 /nfs/dbraw/zinc/50/58/35/782505835.db2.gz RCJGDDKULYIRHQ-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888240 782505839 /nfs/dbraw/zinc/50/58/39/782505839.db2.gz RCJGDDKULYIRHQ-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099906107 782511226 /nfs/dbraw/zinc/51/12/26/782511226.db2.gz JYOHWLGZIXLTAZ-KBPBESRZSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099887724 782506575 /nfs/dbraw/zinc/50/65/75/782506575.db2.gz JVVXJIYROYYOKV-RYUDHWBXSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099888426 782507103 /nfs/dbraw/zinc/50/71/03/782507103.db2.gz WCKKVPRUBIIPIF-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099908393 782509774 /nfs/dbraw/zinc/50/97/74/782509774.db2.gz CPIZQCFXQAWSMC-MNOVXSKESA-N 1 1 302.375 -1.631 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099909210 782509865 /nfs/dbraw/zinc/50/98/65/782509865.db2.gz PBHVFOFRXCBWMD-RYUDHWBXSA-N 1 1 316.402 -1.241 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936815 782512584 /nfs/dbraw/zinc/51/25/84/782512584.db2.gz FBRVYMGLBWKLBX-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099935957 782512601 /nfs/dbraw/zinc/51/26/01/782512601.db2.gz XMNNENRYRZZVQL-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099936778 782513302 /nfs/dbraw/zinc/51/33/02/782513302.db2.gz DPASXWRAQPLIPH-NXEZZACHSA-N 1 1 324.403 -3.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099937135 782514336 /nfs/dbraw/zinc/51/43/36/782514336.db2.gz ILHHFOKXIXTNHW-UWVGGRQHSA-N 1 1 324.403 -2.762 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099936891 782514395 /nfs/dbraw/zinc/51/43/95/782514395.db2.gz GPSVRAQDKSLNMX-MNOVXSKESA-N 1 1 320.415 -1.998 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936960 782514651 /nfs/dbraw/zinc/51/46/51/782514651.db2.gz HDTATDRHGJAHMT-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972588 782518621 /nfs/dbraw/zinc/51/86/21/782518621.db2.gz YXJANPHFYYPTBP-UWVGGRQHSA-N 1 1 314.386 -1.672 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972588 782518623 /nfs/dbraw/zinc/51/86/23/782518623.db2.gz YXJANPHFYYPTBP-UWVGGRQHSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973379 782518987 /nfs/dbraw/zinc/51/89/87/782518987.db2.gz BXMILELLDGKDDC-VHSXEESVSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973379 782518992 /nfs/dbraw/zinc/51/89/92/782518992.db2.gz BXMILELLDGKDDC-VHSXEESVSA-N 1 1 315.374 -2.269 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972507 782520178 /nfs/dbraw/zinc/52/01/78/782520178.db2.gz XZRUZHGXLAZGBD-GHMZBOCLSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972507 782520184 /nfs/dbraw/zinc/52/01/84/782520184.db2.gz XZRUZHGXLAZGBD-GHMZBOCLSA-N 1 1 312.370 -2.109 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001099973914 782520296 /nfs/dbraw/zinc/52/02/96/782520296.db2.gz KVOMOHNJUSFEFQ-NWDGAFQWSA-N 1 1 324.385 -1.515 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001099941853 782515636 /nfs/dbraw/zinc/51/56/36/782515636.db2.gz IGFKHUCQJWVCMB-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001099941853 782515641 /nfs/dbraw/zinc/51/56/41/782515641.db2.gz IGFKHUCQJWVCMB-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099941932 782515819 /nfs/dbraw/zinc/51/58/19/782515819.db2.gz JFHWNSVKJFHQQX-MNOVXSKESA-N 1 1 313.358 -1.713 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001099986852 782523231 /nfs/dbraw/zinc/52/32/31/782523231.db2.gz QFJPHMHGGFGROT-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001099981438 782523361 /nfs/dbraw/zinc/52/33/61/782523361.db2.gz OHDNGRJGZJDLHS-MNOVXSKESA-N 1 1 322.369 -1.905 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099981839 782524034 /nfs/dbraw/zinc/52/40/34/782524034.db2.gz UKMJPUUYMHGNGO-ZJUUUORDSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099981839 782524037 /nfs/dbraw/zinc/52/40/37/782524037.db2.gz UKMJPUUYMHGNGO-ZJUUUORDSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099981837 782524655 /nfs/dbraw/zinc/52/46/55/782524655.db2.gz UKMJPUUYMHGNGO-UWVGGRQHSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099981837 782524663 /nfs/dbraw/zinc/52/46/63/782524663.db2.gz UKMJPUUYMHGNGO-UWVGGRQHSA-N 1 1 311.379 -1.424 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008330 782527816 /nfs/dbraw/zinc/52/78/16/782527816.db2.gz GHEOGNPOUDYKQV-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019913 782530117 /nfs/dbraw/zinc/53/01/17/782530117.db2.gz JJJPDCGOLBJPLU-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001100027293 782530676 /nfs/dbraw/zinc/53/06/76/782530676.db2.gz OFOUROGFERNXRU-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001100027293 782530682 /nfs/dbraw/zinc/53/06/82/782530682.db2.gz OFOUROGFERNXRU-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100030583 782531081 /nfs/dbraw/zinc/53/10/81/782531081.db2.gz YUQKXAVQWOKAQW-UWVGGRQHSA-N 1 1 323.415 -2.142 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100028606 782531626 /nfs/dbraw/zinc/53/16/26/782531626.db2.gz ADCVAVWXYLNMEN-NEPJUHHUSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100028607 782532238 /nfs/dbraw/zinc/53/22/38/782532238.db2.gz ADCVAVWXYLNMEN-NWDGAFQWSA-N 1 1 312.370 -1.108 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100035319 782533646 /nfs/dbraw/zinc/53/36/46/782533646.db2.gz ZUKMUQFCLZCFRZ-NWDGAFQWSA-N 1 1 301.387 -1.308 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100036961 782533585 /nfs/dbraw/zinc/53/35/85/782533585.db2.gz QFKGWRPQGDGUKC-OLZOCXBDSA-N 1 1 301.387 -1.748 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ccncn1 ZINC001100039359 782537665 /nfs/dbraw/zinc/53/76/65/782537665.db2.gz QVSUZKCPPYOIMI-AAEUAGOBSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ccncn1 ZINC001100039362 782537829 /nfs/dbraw/zinc/53/78/29/782537829.db2.gz QVSUZKCPPYOIMI-YPMHNXCESA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)c1cnon1 ZINC001100042220 782539543 /nfs/dbraw/zinc/53/95/43/782539543.db2.gz VXNRUOCEGDTHPM-ZYHUDNBSSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O)c1cnon1 ZINC001100042220 782539551 /nfs/dbraw/zinc/53/95/51/782539551.db2.gz VXNRUOCEGDTHPM-ZYHUDNBSSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001100047061 782540073 /nfs/dbraw/zinc/54/00/73/782540073.db2.gz WVVJNCVWDMMSMD-MNOVXSKESA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001100047063 782540271 /nfs/dbraw/zinc/54/02/71/782540271.db2.gz WVVJNCVWDMMSMD-WDEREUQCSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100051810 782541516 /nfs/dbraw/zinc/54/15/16/782541516.db2.gz ZXNOVAWKHCBTKN-OLZOCXBDSA-N 1 1 324.381 -1.433 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100054098 782541567 /nfs/dbraw/zinc/54/15/67/782541567.db2.gz STZJSVNVNLHMMM-SFYZADRCSA-N 1 1 313.276 -1.791 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCO)C[C@@H]2O)CC1 ZINC001100050774 782542521 /nfs/dbraw/zinc/54/25/21/782542521.db2.gz MWYTUPMGTRXTLK-KBPBESRZSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(CCCn1cncn1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100062178 782543491 /nfs/dbraw/zinc/54/34/91/782543491.db2.gz PLVOJNYZIWSYAZ-OLZOCXBDSA-N 1 1 311.386 -1.008 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001100072523 782545320 /nfs/dbraw/zinc/54/53/20/782545320.db2.gz WXRBZDQLEVRMKL-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001100072523 782545325 /nfs/dbraw/zinc/54/53/25/782545325.db2.gz WXRBZDQLEVRMKL-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO COCCCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100069090 782545548 /nfs/dbraw/zinc/54/55/48/782545548.db2.gz HJSKDSFNXHJQOZ-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100078450 782546349 /nfs/dbraw/zinc/54/63/49/782546349.db2.gz JFIVZZNKCFRQGF-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100083872 782546643 /nfs/dbraw/zinc/54/66/43/782546643.db2.gz WZEWVUXZMCDWSC-KBPBESRZSA-N 1 1 321.377 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100083857 782546798 /nfs/dbraw/zinc/54/67/98/782546798.db2.gz WOYCKUGUTQMFMF-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091376 782547665 /nfs/dbraw/zinc/54/76/65/782547665.db2.gz BPAUSYUIAKQEAZ-MNOVXSKESA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100078451 782547870 /nfs/dbraw/zinc/54/78/70/782547870.db2.gz JFIVZZNKCFRQGF-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091934 782548291 /nfs/dbraw/zinc/54/82/91/782548291.db2.gz HYPFOEAZCLUYBA-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091375 782548343 /nfs/dbraw/zinc/54/83/43/782548343.db2.gz BPAUSYUIAKQEAZ-GHMZBOCLSA-N 1 1 307.416 -1.162 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096836 782549806 /nfs/dbraw/zinc/54/98/06/782549806.db2.gz NQINSWHLQVRBOP-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100092203 782550118 /nfs/dbraw/zinc/55/01/18/782550118.db2.gz LDDVJLZRHLMPPQ-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100092203 782550124 /nfs/dbraw/zinc/55/01/24/782550124.db2.gz LDDVJLZRHLMPPQ-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100108121 782551218 /nfs/dbraw/zinc/55/12/18/782551218.db2.gz QZOINRBCHLFFQZ-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106770 782551540 /nfs/dbraw/zinc/55/15/40/782551540.db2.gz ZWWUQCCSQHVWEV-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103621 782552075 /nfs/dbraw/zinc/55/20/75/782552075.db2.gz OZKNBBNAWPOYER-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103621 782552085 /nfs/dbraw/zinc/55/20/85/782552085.db2.gz OZKNBBNAWPOYER-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100108124 782552509 /nfs/dbraw/zinc/55/25/09/782552509.db2.gz QZOINRBCHLFFQZ-WDEREUQCSA-N 1 1 301.387 -1.308 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100108123 782553058 /nfs/dbraw/zinc/55/30/58/782553058.db2.gz QZOINRBCHLFFQZ-QWRGUYRKSA-N 1 1 301.387 -1.308 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103449 782553197 /nfs/dbraw/zinc/55/31/97/782553197.db2.gz MAQSPMVNNHYYNK-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103449 782553207 /nfs/dbraw/zinc/55/32/07/782553207.db2.gz MAQSPMVNNHYYNK-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100102908 782553125 /nfs/dbraw/zinc/55/31/25/782553125.db2.gz CPAYDJFQNWFNFK-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100102908 782553131 /nfs/dbraw/zinc/55/31/31/782553131.db2.gz CPAYDJFQNWFNFK-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100114690 782554107 /nfs/dbraw/zinc/55/41/07/782554107.db2.gz RZNIGAVLHPKUMI-NWDGAFQWSA-N 1 1 322.427 -1.255 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100114690 782554115 /nfs/dbraw/zinc/55/41/15/782554115.db2.gz RZNIGAVLHPKUMI-NWDGAFQWSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100115620 782554141 /nfs/dbraw/zinc/55/41/41/782554141.db2.gz ABZWPTREHRTEIL-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001100117176 782554832 /nfs/dbraw/zinc/55/48/32/782554832.db2.gz DBXBFHUTCYYXJX-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001100110440 782555908 /nfs/dbraw/zinc/55/59/08/782555908.db2.gz VUSSHUNISHWIFJ-NXEZZACHSA-N 1 1 312.326 -1.535 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100121881 782557049 /nfs/dbraw/zinc/55/70/49/782557049.db2.gz IFKKEWYACQSWOI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100121880 782557197 /nfs/dbraw/zinc/55/71/97/782557197.db2.gz IFKKEWYACQSWOI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126896 782557301 /nfs/dbraw/zinc/55/73/01/782557301.db2.gz OQLGCFVSHMHZML-RYUDHWBXSA-N 1 1 324.385 -1.646 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100118086 782557848 /nfs/dbraw/zinc/55/78/48/782557848.db2.gz UUGXMIKJLHACTM-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100117284 782557864 /nfs/dbraw/zinc/55/78/64/782557864.db2.gz GGECMDNYOPTMRY-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117985 782557936 /nfs/dbraw/zinc/55/79/36/782557936.db2.gz SIBMIWZECZHQEQ-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100134851 782559011 /nfs/dbraw/zinc/55/90/11/782559011.db2.gz XUYJSHXDIRRYLR-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147045 782561411 /nfs/dbraw/zinc/56/14/11/782561411.db2.gz BQQFIHZTRLJXHF-STQMWFEESA-N 1 1 311.386 -1.055 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143618 782562306 /nfs/dbraw/zinc/56/23/06/782562306.db2.gz XGQGYTIZXRXPBO-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143618 782562312 /nfs/dbraw/zinc/56/23/12/782562312.db2.gz XGQGYTIZXRXPBO-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO O=C(CN1CCOCC1=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100411516 782573634 /nfs/dbraw/zinc/57/36/34/782573634.db2.gz DCVCSQLXZQKPRM-UHFFFAOYSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cnn(CC(=O)NCC2CC([NH2+]Cc3cnon3)C2)c1=O ZINC001100466042 782575265 /nfs/dbraw/zinc/57/52/65/782575265.db2.gz AWYSMUSKQBFJJM-UHFFFAOYSA-N 1 1 321.341 -1.351 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100567017 782578758 /nfs/dbraw/zinc/57/87/58/782578758.db2.gz TZLRXZQBARGDAT-UHFFFAOYSA-N 1 1 322.369 -1.514 20 0 DAADMO CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)Cc2nnc[nH]2)C1 ZINC001100853719 782584489 /nfs/dbraw/zinc/58/44/89/782584489.db2.gz UXNQBWMEGMYRJR-UHFFFAOYSA-N 1 1 315.399 -1.124 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001100795661 782584672 /nfs/dbraw/zinc/58/46/72/782584672.db2.gz DCMJCSDHLKENOZ-UHFFFAOYSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001100655167 782581007 /nfs/dbraw/zinc/58/10/07/782581007.db2.gz JJXKXSVIJVDUHK-FDZGAKKTSA-N 1 1 321.385 -1.137 20 0 DAADMO COC[C@H](OC)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100656906 782581085 /nfs/dbraw/zinc/58/10/85/782581085.db2.gz QYOGMNOVSRDVTB-ILDUYXDCSA-N 1 1 312.374 -1.144 20 0 DAADMO CN1CC(C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)=NC1=O ZINC001100638936 782581429 /nfs/dbraw/zinc/58/14/29/782581429.db2.gz JVUBFMQFNHGNHT-UHFFFAOYSA-N 1 1 324.341 -1.581 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100633660 782581600 /nfs/dbraw/zinc/58/16/00/782581600.db2.gz IJLBOECLSLUMTM-YIZWMMSDSA-N 1 1 323.397 -1.066 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2cnc[nH]2)C1 ZINC001100706626 782581776 /nfs/dbraw/zinc/58/17/76/782581776.db2.gz PWTVCZCIXHVQAC-UHFFFAOYSA-N 1 1 322.369 -1.108 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001100753571 782582467 /nfs/dbraw/zinc/58/24/67/782582467.db2.gz GSNKYKMTZBDQKX-YVNMAJEFSA-N 1 1 321.385 -1.137 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100767860 782582565 /nfs/dbraw/zinc/58/25/65/782582565.db2.gz GQXONNOZGOOQQZ-UHFFFAOYSA-N 1 1 316.387 -1.548 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100767860 782582573 /nfs/dbraw/zinc/58/25/73/782582573.db2.gz GQXONNOZGOOQQZ-UHFFFAOYSA-N 1 1 316.387 -1.548 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100995720 782588572 /nfs/dbraw/zinc/58/85/72/782588572.db2.gz ANHDAKSRGATCPF-UHFFFAOYSA-N 1 1 317.371 -1.397 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCCC(N)=O)C1 ZINC001101069135 782590545 /nfs/dbraw/zinc/59/05/45/782590545.db2.gz IROIYXSGEWDXQR-UHFFFAOYSA-N 1 1 309.374 -1.150 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001101343575 782594705 /nfs/dbraw/zinc/59/47/05/782594705.db2.gz ATROETFFYYYIJR-ZETOZRRWSA-N 1 1 323.397 -1.416 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101449617 782595792 /nfs/dbraw/zinc/59/57/92/782595792.db2.gz BVMXBQLAZZTXJP-YPMHNXCESA-N 1 1 319.427 -1.350 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604173 782596828 /nfs/dbraw/zinc/59/68/28/782596828.db2.gz ORIPGPFLZAZHTO-JQWIXIFHSA-N 1 1 321.381 -1.028 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604175 782596964 /nfs/dbraw/zinc/59/69/64/782596964.db2.gz ORIPGPFLZAZHTO-ZYHUDNBSSA-N 1 1 321.381 -1.028 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101259737 782591505 /nfs/dbraw/zinc/59/15/05/782591505.db2.gz IPJKUFRBRRGBTI-RULNRJAQSA-N 1 1 311.386 -1.431 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101259736 782591993 /nfs/dbraw/zinc/59/19/93/782591993.db2.gz IPJKUFRBRRGBTI-RBZYPMLTSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001101122544 782592456 /nfs/dbraw/zinc/59/24/56/782592456.db2.gz MDXDQGATDRGODG-ZETOZRRWSA-N 1 1 323.397 -1.286 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122520 782592479 /nfs/dbraw/zinc/59/24/79/782592479.db2.gz KVNILKKAXPIIHI-YGRLFVJLSA-N 1 1 311.386 -1.477 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101256476 782592800 /nfs/dbraw/zinc/59/28/00/782592800.db2.gz ZCFVDRCLMKUWOX-DOMZBBRYSA-N 1 1 313.398 -1.136 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001101123895 782592897 /nfs/dbraw/zinc/59/28/97/782592897.db2.gz AYPJFZCBWXAMKU-RISCZKNCSA-N 1 1 321.385 -1.273 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101210771 782593121 /nfs/dbraw/zinc/59/31/21/782593121.db2.gz BKLLAOQEXVWPFE-HFAKWTLXSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001101122317 782593175 /nfs/dbraw/zinc/59/31/75/782593175.db2.gz BCUNXLQBNBQKQR-BMIGLBTASA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@]12CN(C(=O)CNC(=O)C3CC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001101140190 782593219 /nfs/dbraw/zinc/59/32/19/782593219.db2.gz REDIDXLBFNBOGA-ABAIWWIYSA-N 1 1 308.382 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001101118331 782593456 /nfs/dbraw/zinc/59/34/56/782593456.db2.gz MZHHOMPFNMECMP-BZPMIXESSA-N 1 1 324.385 -1.539 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](CCOC)C[C@@]2(C)C1 ZINC001101465304 782594397 /nfs/dbraw/zinc/59/43/97/782594397.db2.gz BJJFZLOEJIGIBB-YPMHNXCESA-N 1 1 319.427 -1.038 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](C[C@@H](C)O)C2)n2ccnc21 ZINC001101604185 782598257 /nfs/dbraw/zinc/59/82/57/782598257.db2.gz PBAABBXGVCHJCF-ZYHUDNBSSA-N 1 1 321.381 -1.028 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618992 782598424 /nfs/dbraw/zinc/59/84/24/782598424.db2.gz LVLUYSROVSXRLH-NXEZZACHSA-N 1 1 307.354 -1.289 20 0 DAADMO COCC[NH+]1CC2(C1)C[C@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607861 782598510 /nfs/dbraw/zinc/59/85/10/782598510.db2.gz ZWVYEVRPQUKTJR-JTQLQIEISA-N 1 1 322.369 -1.230 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101620968 782598595 /nfs/dbraw/zinc/59/85/95/782598595.db2.gz WNQJCRJEOCFNAB-JTQLQIEISA-N 1 1 307.354 -1.287 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101610741 782598648 /nfs/dbraw/zinc/59/86/48/782598648.db2.gz VWGRTZWTEZRQAI-GFCCVEGCSA-N 1 1 321.381 -1.074 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101607042 782598690 /nfs/dbraw/zinc/59/86/90/782598690.db2.gz CWUJWMXPFNPKFW-VIFPVBQESA-N 1 1 308.342 -1.884 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101630340 782598712 /nfs/dbraw/zinc/59/87/12/782598712.db2.gz FAZNAGNYVNYISL-JTQLQIEISA-N 1 1 322.369 -1.624 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101610809 782598801 /nfs/dbraw/zinc/59/88/01/782598801.db2.gz XDMSXHOUBWHBEC-JTQLQIEISA-N 1 1 323.353 -1.197 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001101684337 782600579 /nfs/dbraw/zinc/60/05/79/782600579.db2.gz APCALMSAVWFDHZ-DGCLKSJQSA-N 1 1 301.387 -1.185 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC2(C[NH+](CCOCCO)C2)n2ccnc21 ZINC001101641192 782600642 /nfs/dbraw/zinc/60/06/42/782600642.db2.gz KQYGJLLOSMEUSL-SNVBAGLBSA-N 1 1 323.353 -2.051 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711113 782600742 /nfs/dbraw/zinc/60/07/42/782600742.db2.gz MVLIPYQAXGYFNC-GHMZBOCLSA-N 1 1 313.402 -1.137 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001101662354 782600859 /nfs/dbraw/zinc/60/08/59/782600859.db2.gz FXQKQGAYGZTZQA-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101774444 782601814 /nfs/dbraw/zinc/60/18/14/782601814.db2.gz NDOZFWKDIQODKX-KXUCPTDWSA-N 1 1 300.359 -1.100 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716074 782602803 /nfs/dbraw/zinc/60/28/03/782602803.db2.gz PRRXYQBULBYWIY-VXGBXAGGSA-N 1 1 323.401 -1.165 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715543 782602891 /nfs/dbraw/zinc/60/28/91/782602891.db2.gz CEDJWRZWWKOMSX-GMTAPVOTSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101715747 782603487 /nfs/dbraw/zinc/60/34/87/782603487.db2.gz HPJLOQZQRYLOGX-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101889875 782603859 /nfs/dbraw/zinc/60/38/59/782603859.db2.gz WFBCHLFRWZOMTE-CHWSQXEVSA-N 1 1 312.414 -1.251 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979899 782608945 /nfs/dbraw/zinc/60/89/45/782608945.db2.gz IAERLLXJORVYEM-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980265 782607745 /nfs/dbraw/zinc/60/77/45/782607745.db2.gz QSMVUSDUBZTORQ-UTUOFQBUSA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101977360 782607899 /nfs/dbraw/zinc/60/78/99/782607899.db2.gz ZOQAMGIDNQGPFJ-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)[C@H](C)C1 ZINC001101927879 782608081 /nfs/dbraw/zinc/60/80/81/782608081.db2.gz PMXKYXULIYCDHI-GMTAPVOTSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979671 782608240 /nfs/dbraw/zinc/60/82/40/782608240.db2.gz AXMHXIKIMQVXQG-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979671 782608245 /nfs/dbraw/zinc/60/82/45/782608245.db2.gz AXMHXIKIMQVXQG-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001101939528 782608312 /nfs/dbraw/zinc/60/83/12/782608312.db2.gz VNFAPQWSWXMZNW-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980264 782608400 /nfs/dbraw/zinc/60/84/00/782608400.db2.gz QSMVUSDUBZTORQ-IJLUTSLNSA-N 1 1 312.374 -1.636 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 ZINC001101810471 782605292 /nfs/dbraw/zinc/60/52/92/782605292.db2.gz JFCOJNKOFJGCOT-FVCCEPFGSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001101848369 782605336 /nfs/dbraw/zinc/60/53/36/782605336.db2.gz PJZZZCQHFNNOKG-NXEZZACHSA-N 1 1 322.369 -1.169 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001101906905 782606354 /nfs/dbraw/zinc/60/63/54/782606354.db2.gz FHMABBFZAYUJFT-VXGBXAGGSA-N 1 1 301.387 -1.185 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001101908181 782606965 /nfs/dbraw/zinc/60/69/65/782606965.db2.gz HQQVJEGTHWJVRR-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101966249 782608859 /nfs/dbraw/zinc/60/88/59/782608859.db2.gz DCBFPGJZDBESEF-GHMZBOCLSA-N 1 1 307.416 -1.398 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001101908181 782606973 /nfs/dbraw/zinc/60/69/73/782606973.db2.gz HQQVJEGTHWJVRR-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101977281 782609242 /nfs/dbraw/zinc/60/92/42/782609242.db2.gz XNXLPHPYFJNOPD-VXGBXAGGSA-N 1 1 312.374 -1.634 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101935824 782609309 /nfs/dbraw/zinc/60/93/09/782609309.db2.gz NTHBTFXMZRBNJH-CKYFFXLPSA-N 1 1 314.386 -1.118 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001101939529 782609402 /nfs/dbraw/zinc/60/94/02/782609402.db2.gz VNFAPQWSWXMZNW-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102018744 782610036 /nfs/dbraw/zinc/61/00/36/782610036.db2.gz ULNGBDFJZGWAHY-GHMZBOCLSA-N 1 1 307.416 -1.446 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102016841 782610256 /nfs/dbraw/zinc/61/02/56/782610256.db2.gz QSCOMMPQUCQCOQ-GHMZBOCLSA-N 1 1 307.416 -1.398 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC001102017939 782610657 /nfs/dbraw/zinc/61/06/57/782610657.db2.gz ZRSRWABAEJXAPL-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102017673 782610949 /nfs/dbraw/zinc/61/09/49/782610949.db2.gz MLJKIDWYDHDQOE-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001101984079 782611108 /nfs/dbraw/zinc/61/11/08/782611108.db2.gz YGPQMQJSNITQSI-NXEZZACHSA-N 1 1 310.358 -1.947 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001102021221 782611137 /nfs/dbraw/zinc/61/11/37/782611137.db2.gz KMVSRTAXKFBPDC-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102024854 782613449 /nfs/dbraw/zinc/61/34/49/782613449.db2.gz RDXVIISTSHCEHC-VXGBXAGGSA-N 1 1 323.401 -1.109 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102017619 782611361 /nfs/dbraw/zinc/61/13/61/782611361.db2.gz JPLUJQUEGDKVAA-NXEZZACHSA-N 1 1 320.415 -1.953 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCN1C(=O)CCC1=O ZINC001102134067 782612094 /nfs/dbraw/zinc/61/20/94/782612094.db2.gz SHKJDRYNWFRFEY-GHMZBOCLSA-N 1 1 324.381 -1.305 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102107431 782613026 /nfs/dbraw/zinc/61/30/26/782613026.db2.gz NZYCRUGRCBVFJX-GMTAPVOTSA-N 1 1 324.385 -1.860 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001102025859 782613105 /nfs/dbraw/zinc/61/31/05/782613105.db2.gz MOQJKNFOFSUSBI-VXGBXAGGSA-N 1 1 319.427 -1.302 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108641 782613209 /nfs/dbraw/zinc/61/32/09/782613209.db2.gz VMKPJMDVFUZESI-IJLUTSLNSA-N 1 1 311.386 -1.353 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102404719 782617095 /nfs/dbraw/zinc/61/70/95/782617095.db2.gz JSEVPVUVRRGWAN-OUAUKWLOSA-N 1 1 307.416 -1.400 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCn1cnnn1 ZINC001102479392 782617396 /nfs/dbraw/zinc/61/73/96/782617396.db2.gz OMRLIIROWQZKQZ-VXGBXAGGSA-N 1 1 323.401 -1.165 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479391 782617653 /nfs/dbraw/zinc/61/76/53/782617653.db2.gz OMHWRLSYRJBBRM-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](C)C1 ZINC001102475042 782617855 /nfs/dbraw/zinc/61/78/55/782617855.db2.gz VYJFLRVJJPVXIG-HRDYMLBCSA-N 1 1 324.341 -1.049 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001102502823 782618560 /nfs/dbraw/zinc/61/85/60/782618560.db2.gz SJCPCFOAFXWJAA-GRYCIOLGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC001102116133 782613623 /nfs/dbraw/zinc/61/36/23/782613623.db2.gz PERPJGLTUSVXJF-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001102116133 782613626 /nfs/dbraw/zinc/61/36/26/782613626.db2.gz PERPJGLTUSVXJF-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001102116133 782613629 /nfs/dbraw/zinc/61/36/29/782613629.db2.gz PERPJGLTUSVXJF-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102301127 782614627 /nfs/dbraw/zinc/61/46/27/782614627.db2.gz QNJGLYUWBYOLKI-NXEZZACHSA-N 1 1 310.354 -1.695 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C)C1 ZINC001102368140 782614642 /nfs/dbraw/zinc/61/46/42/782614642.db2.gz HKOPYWZBDSDQQM-KKOKHZNYSA-N 1 1 310.398 -1.072 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)C(N)=O ZINC001102310367 782614664 /nfs/dbraw/zinc/61/46/64/782614664.db2.gz SKVXXZLGGWTKAD-NXEZZACHSA-N 1 1 320.353 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CNC(=O)C(N)=O ZINC001102310367 782614670 /nfs/dbraw/zinc/61/46/70/782614670.db2.gz SKVXXZLGGWTKAD-NXEZZACHSA-N 1 1 320.353 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102308660 782614764 /nfs/dbraw/zinc/61/47/64/782614764.db2.gz BJHSQXXSZJTFNV-VXGBXAGGSA-N 1 1 313.398 -1.055 20 0 DAADMO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C(N)=O ZINC001102306297 782615211 /nfs/dbraw/zinc/61/52/11/782615211.db2.gz NPKPOTROGYWAEO-RKDXNWHRSA-N 1 1 306.388 -2.295 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)C(N)=O ZINC001102309948 782615408 /nfs/dbraw/zinc/61/54/08/782615408.db2.gz MGVPPFWAIDLPEI-GHMZBOCLSA-N 1 1 312.370 -1.985 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C(N)=O ZINC001102304580 782615787 /nfs/dbraw/zinc/61/57/87/782615787.db2.gz NQNLZKRFVOFILP-GMTAPVOTSA-N 1 1 317.411 -1.410 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304517 782615798 /nfs/dbraw/zinc/61/57/98/782615798.db2.gz KIHIMNSAKKTCGG-IJLUTSLNSA-N 1 1 317.386 -1.820 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)C(N)=O ZINC001102306317 782615921 /nfs/dbraw/zinc/61/59/21/782615921.db2.gz OSFGFZVREQPCSG-NXEZZACHSA-N 1 1 305.400 -1.410 20 0 DAADMO CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102309177 782616002 /nfs/dbraw/zinc/61/60/02/782616002.db2.gz NVRUBQIMKQMFIL-NXEZZACHSA-N 1 1 309.374 -1.077 20 0 DAADMO CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102309177 782616005 /nfs/dbraw/zinc/61/60/05/782616005.db2.gz NVRUBQIMKQMFIL-NXEZZACHSA-N 1 1 309.374 -1.077 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001102368475 782616126 /nfs/dbraw/zinc/61/61/26/782616126.db2.gz VVSIVPFPVWQZER-LPWJVIDDSA-N 1 1 313.398 -1.199 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802191 782622674 /nfs/dbraw/zinc/62/26/74/782622674.db2.gz XLNNMRORDWPGFV-MXWKQRLJSA-N 1 1 324.381 -1.259 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656429 782622755 /nfs/dbraw/zinc/62/27/55/782622755.db2.gz ALAYIXOSMCFMIV-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001102819633 782623339 /nfs/dbraw/zinc/62/33/39/782623339.db2.gz YAVRIEPADNVFLH-UPJWGTAASA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@@H](CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)NC(N)=O ZINC001102978724 782623960 /nfs/dbraw/zinc/62/39/60/782623960.db2.gz GXDMENWPOWUPJK-OUAUKWLOSA-N 1 1 313.402 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991431 782624246 /nfs/dbraw/zinc/62/42/46/782624246.db2.gz MNAPITWCMCFJTL-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001103003446 782624524 /nfs/dbraw/zinc/62/45/24/782624524.db2.gz QRJIQJOYRQVHCX-GHMZBOCLSA-N 1 1 324.385 -1.557 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN(C)S(C)(=O)=O ZINC001103050247 782624755 /nfs/dbraw/zinc/62/47/55/782624755.db2.gz ZHSJMNMCXHGGSB-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO C[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)S(C)(=O)=O ZINC001103149909 782624960 /nfs/dbraw/zinc/62/49/60/782624960.db2.gz PZYNIOLJHVGFEY-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)S(C)(=O)=O ZINC001103149909 782624963 /nfs/dbraw/zinc/62/49/63/782624963.db2.gz PZYNIOLJHVGFEY-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cn[nH]n1 ZINC001103181085 782625135 /nfs/dbraw/zinc/62/51/35/782625135.db2.gz VVTRDGNTQRVCKY-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cnn[nH]1 ZINC001103181085 782625140 /nfs/dbraw/zinc/62/51/40/782625140.db2.gz VVTRDGNTQRVCKY-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cnn[nH]1 ZINC001103181085 782625142 /nfs/dbraw/zinc/62/51/42/782625142.db2.gz VVTRDGNTQRVCKY-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN1C(=O)CN(C)C1=O ZINC001102555412 782620084 /nfs/dbraw/zinc/62/00/84/782620084.db2.gz BYNWUIMOSAIECN-GHMZBOCLSA-N 1 1 312.370 -1.443 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ccn(C)n1 ZINC001102578093 782620273 /nfs/dbraw/zinc/62/02/73/782620273.db2.gz KWLMJNGULWBQIS-NXEZZACHSA-N 1 1 322.369 -1.087 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N1CCOCC1 ZINC001102621834 782620539 /nfs/dbraw/zinc/62/05/39/782620539.db2.gz RSVZHXYILWUOFH-FRRDWIJNSA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001102557694 782620975 /nfs/dbraw/zinc/62/09/75/782620975.db2.gz KLYSFRYMPMTEFX-RKDXNWHRSA-N 1 1 311.342 -2.292 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccc(=O)n(C)n1 ZINC001103700006 782625907 /nfs/dbraw/zinc/62/59/07/782625907.db2.gz ZSSSAVDCIVPIAJ-GHMZBOCLSA-N 1 1 321.381 -1.047 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103335478 782626234 /nfs/dbraw/zinc/62/62/34/782626234.db2.gz FPCZJERHLBLFNE-MXWKQRLJSA-N 1 1 321.385 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001103381749 782626774 /nfs/dbraw/zinc/62/67/74/782626774.db2.gz QDYGLWMGZAFRPM-GMTAPVOTSA-N 1 1 311.386 -1.512 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103332461 782626962 /nfs/dbraw/zinc/62/69/62/782626962.db2.gz UXUYSTIYJODTCL-OPRDCNLKSA-N 1 1 309.374 -1.228 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103389359 782627036 /nfs/dbraw/zinc/62/70/36/782627036.db2.gz RAMMGFCYHOYTDE-OPRDCNLKSA-N 1 1 310.354 -1.649 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103332203 782627054 /nfs/dbraw/zinc/62/70/54/782627054.db2.gz KLLYFJYELDKVRY-NXEZZACHSA-N 1 1 309.374 -1.356 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391431 782627144 /nfs/dbraw/zinc/62/71/44/782627144.db2.gz FPFLEVWUWKAFAM-HRDYMLBCSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103335477 782627222 /nfs/dbraw/zinc/62/72/22/782627222.db2.gz FPCZJERHLBLFNE-GMTAPVOTSA-N 1 1 321.385 -1.214 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001111751508 782632643 /nfs/dbraw/zinc/63/26/43/782632643.db2.gz ZDKZDZNUNDUZPA-OBJOEFQTSA-N 1 1 324.385 -1.349 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111856762 782632910 /nfs/dbraw/zinc/63/29/10/782632910.db2.gz GDFSJNYBVVQUKI-CABZTGNLSA-N 1 1 318.399 -2.008 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111856762 782632919 /nfs/dbraw/zinc/63/29/19/782632919.db2.gz GDFSJNYBVVQUKI-CABZTGNLSA-N 1 1 318.399 -2.008 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980416 782637305 /nfs/dbraw/zinc/63/73/05/782637305.db2.gz QVFUYWSJTWGDHI-RMRHIDDWSA-N 1 1 324.425 -1.110 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114967758 782633422 /nfs/dbraw/zinc/63/34/22/782633422.db2.gz CWNGPCYEVYOIOK-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114967758 782633423 /nfs/dbraw/zinc/63/34/23/782633423.db2.gz CWNGPCYEVYOIOK-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)n1 ZINC001111836271 782633436 /nfs/dbraw/zinc/63/34/36/782633436.db2.gz UWYJINVBMYRTFA-FZMZJTMJSA-N 1 1 324.385 -1.197 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114982049 782637360 /nfs/dbraw/zinc/63/73/60/782637360.db2.gz HHDYQZAIMITVHR-KXNHARMFSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111914035 782634545 /nfs/dbraw/zinc/63/45/45/782634545.db2.gz PLMAQVYJALQFNL-MJVIPROJSA-N 1 1 321.385 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(N)=O)C1 ZINC001111974764 782634726 /nfs/dbraw/zinc/63/47/26/782634726.db2.gz BLCXASWZICYBEH-BHDSKKPTSA-N 1 1 311.386 -1.111 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112144848 782634791 /nfs/dbraw/zinc/63/47/91/782634791.db2.gz HJFXBLYUWAAOTF-BWZBUEFSSA-N 1 1 324.303 -1.038 20 0 DAADMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073522 782634951 /nfs/dbraw/zinc/63/49/51/782634951.db2.gz UBZCUHVQDMMTKN-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114972337 782637160 /nfs/dbraw/zinc/63/71/60/782637160.db2.gz KQDSEOZHFHTELA-UKKRHICBSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046529 782639954 /nfs/dbraw/zinc/63/99/54/782639954.db2.gz NWOACGHCAOYTEG-QISWUMQESA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046529 782639957 /nfs/dbraw/zinc/63/99/57/782639957.db2.gz NWOACGHCAOYTEG-QISWUMQESA-N 1 1 322.369 -1.748 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nonc1C ZINC001115047231 782639966 /nfs/dbraw/zinc/63/99/66/782639966.db2.gz WPQKIWDLXRXMCH-KZWBYHQPSA-N 1 1 310.354 -1.026 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115055716 782640127 /nfs/dbraw/zinc/64/01/27/782640127.db2.gz LVGHGTYHYPVNSX-KZWBYHQPSA-N 1 1 309.370 -1.241 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115055514 782640609 /nfs/dbraw/zinc/64/06/09/782640609.db2.gz IOMBQSARMGELMP-PUHVVEEASA-N 1 1 309.370 -1.241 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115046441 782640637 /nfs/dbraw/zinc/64/06/37/782640637.db2.gz MCSGNDFUBUOVNT-QISWUMQESA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115046441 782640643 /nfs/dbraw/zinc/64/06/43/782640643.db2.gz MCSGNDFUBUOVNT-QISWUMQESA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115046439 782640746 /nfs/dbraw/zinc/64/07/46/782640746.db2.gz MCSGNDFUBUOVNT-DNJQJEMRSA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115046439 782640750 /nfs/dbraw/zinc/64/07/50/782640750.db2.gz MCSGNDFUBUOVNT-DNJQJEMRSA-N 1 1 322.369 -1.748 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115055350 782640796 /nfs/dbraw/zinc/64/07/96/782640796.db2.gz FBGNEYNCRJLTTO-WOFXILAISA-N 1 1 308.342 -2.137 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115055350 782640799 /nfs/dbraw/zinc/64/07/99/782640799.db2.gz FBGNEYNCRJLTTO-WOFXILAISA-N 1 1 308.342 -2.137 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001115094390 782641361 /nfs/dbraw/zinc/64/13/61/782641361.db2.gz TYEFDYOERKHLRF-MEWQQHAOSA-N 1 1 321.385 -1.367 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001115074133 782641645 /nfs/dbraw/zinc/64/16/45/782641645.db2.gz GVNNSNRRIRSBNU-IWIIMEHWSA-N 1 1 311.386 -1.431 20 0 DAADMO O=C(CCCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115077026 782641696 /nfs/dbraw/zinc/64/16/96/782641696.db2.gz RMZNMEPJPVORMA-KZVDOYCCSA-N 1 1 318.381 -1.007 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115074712 782641962 /nfs/dbraw/zinc/64/19/62/782641962.db2.gz RCNZEVVIQXGFLM-YABSGUDNSA-N 1 1 322.413 -1.003 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118399 782642675 /nfs/dbraw/zinc/64/26/75/782642675.db2.gz FBWIPKBWYFMGNG-PUHVVEEASA-N 1 1 323.397 -1.431 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001115116662 782642843 /nfs/dbraw/zinc/64/28/43/782642843.db2.gz OYZMIYPSSIYFQP-REJLFOLJSA-N 1 1 308.382 -1.177 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001115116662 782642849 /nfs/dbraw/zinc/64/28/49/782642849.db2.gz OYZMIYPSSIYFQP-REJLFOLJSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001114998000 782638517 /nfs/dbraw/zinc/63/85/17/782638517.db2.gz OEDNHNJOQPMKMO-JZYVYDRUSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001114998000 782638523 /nfs/dbraw/zinc/63/85/23/782638523.db2.gz OEDNHNJOQPMKMO-JZYVYDRUSA-N 1 1 318.337 -1.408 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115008051 782638571 /nfs/dbraw/zinc/63/85/71/782638571.db2.gz UHQPSTJQQNTSDJ-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115008051 782638575 /nfs/dbraw/zinc/63/85/75/782638575.db2.gz UHQPSTJQQNTSDJ-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001115015451 782638721 /nfs/dbraw/zinc/63/87/21/782638721.db2.gz FHWPVWMANBDWEK-SAOAKYDJSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001115015451 782638723 /nfs/dbraw/zinc/63/87/23/782638723.db2.gz FHWPVWMANBDWEK-SAOAKYDJSA-N 1 1 310.354 -1.346 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018111 782639218 /nfs/dbraw/zinc/63/92/18/782639218.db2.gz MTAVXUHPXARAIN-PJXYFTJBSA-N 1 1 317.357 -1.562 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018111 782639222 /nfs/dbraw/zinc/63/92/22/782639222.db2.gz MTAVXUHPXARAIN-PJXYFTJBSA-N 1 1 317.357 -1.562 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033576 782639401 /nfs/dbraw/zinc/63/94/01/782639401.db2.gz NPYUVROZCOTQIW-ITGUQSILSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033576 782639409 /nfs/dbraw/zinc/63/94/09/782639409.db2.gz NPYUVROZCOTQIW-ITGUQSILSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115018443 782639715 /nfs/dbraw/zinc/63/97/15/782639715.db2.gz SGJGLFIJTULGJT-PJXYFTJBSA-N 1 1 317.357 -1.599 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115202558 782644848 /nfs/dbraw/zinc/64/48/48/782644848.db2.gz DNYAGPGEGIOPLD-WOFXILAISA-N 1 1 306.322 -1.459 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115202558 782644851 /nfs/dbraw/zinc/64/48/51/782644851.db2.gz DNYAGPGEGIOPLD-WOFXILAISA-N 1 1 306.322 -1.459 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)Nc1cc(C)on1 ZINC001115231407 782647942 /nfs/dbraw/zinc/64/79/42/782647942.db2.gz HFCWUWMOHMBKIU-GDGBQDQQSA-N 1 1 321.337 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)Nc1cc(C)on1 ZINC001115231407 782647943 /nfs/dbraw/zinc/64/79/43/782647943.db2.gz HFCWUWMOHMBKIU-GDGBQDQQSA-N 1 1 321.337 -1.286 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115211257 782645715 /nfs/dbraw/zinc/64/57/15/782645715.db2.gz RQWTVZICJPNYTK-KZWBYHQPSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115211258 782645875 /nfs/dbraw/zinc/64/58/75/782645875.db2.gz RQWTVZICJPNYTK-PUHVVEEASA-N 1 1 324.381 -1.254 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115217041 782645965 /nfs/dbraw/zinc/64/59/65/782645965.db2.gz NETFOZUDIUUEKV-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115208894 782645973 /nfs/dbraw/zinc/64/59/73/782645973.db2.gz MGRAIJMLFCWPDP-JYAVWHMHSA-N 1 1 311.382 -1.336 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC001115218586 782646410 /nfs/dbraw/zinc/64/64/10/782646410.db2.gz GMOTYRRWZNEGIS-BCUIYNNISA-N 1 1 321.377 -1.098 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115219315 782646592 /nfs/dbraw/zinc/64/65/92/782646592.db2.gz VHJKJLXRXMTLOH-IWIIMEHWSA-N 1 1 311.386 -1.384 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115219315 782646598 /nfs/dbraw/zinc/64/65/98/782646598.db2.gz VHJKJLXRXMTLOH-IWIIMEHWSA-N 1 1 311.386 -1.384 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CNC1=O ZINC001115218983 782646731 /nfs/dbraw/zinc/64/67/31/782646731.db2.gz ODYYZPCYNILUGR-KZWBYHQPSA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115218363 782646949 /nfs/dbraw/zinc/64/69/49/782646949.db2.gz BTSILWRPGAPEJE-VIKVFOODSA-N 1 1 321.377 -1.096 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001115242755 782647480 /nfs/dbraw/zinc/64/74/80/782647480.db2.gz BOWPBILIAUTDMK-MEWQQHAOSA-N 1 1 322.365 -1.219 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001115242752 782647640 /nfs/dbraw/zinc/64/76/40/782647640.db2.gz BOWPBILIAUTDMK-DCQANWLSSA-N 1 1 322.365 -1.219 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242710 782647828 /nfs/dbraw/zinc/64/78/28/782647828.db2.gz ASTBPOOYZYIVSM-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242710 782647832 /nfs/dbraw/zinc/64/78/32/782647832.db2.gz ASTBPOOYZYIVSM-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141966 782643976 /nfs/dbraw/zinc/64/39/76/782643976.db2.gz LOUFVFKUTWKHRI-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)N(C)C ZINC001115282949 782649950 /nfs/dbraw/zinc/64/99/50/782649950.db2.gz YTQMIYLBPRTWJZ-DCQANWLSSA-N 1 1 319.427 -1.305 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115263561 782650094 /nfs/dbraw/zinc/65/00/94/782650094.db2.gz NKYFDAKRKZYOTJ-SVDPJWKOSA-N 1 1 312.370 -1.100 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115263561 782650098 /nfs/dbraw/zinc/65/00/98/782650098.db2.gz NKYFDAKRKZYOTJ-SVDPJWKOSA-N 1 1 312.370 -1.100 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115288632 782650184 /nfs/dbraw/zinc/65/01/84/782650184.db2.gz WAGFZUDFGDDUIT-YABSGUDNSA-N 1 1 322.369 -2.177 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115309789 782650894 /nfs/dbraw/zinc/65/08/94/782650894.db2.gz SUTPVFRIKPFVNS-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n(C)c1=O ZINC001115306687 782651158 /nfs/dbraw/zinc/65/11/58/782651158.db2.gz SYKPDPMCTZOZNH-PJXYFTJBSA-N 1 1 324.381 -1.607 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115296522 782651166 /nfs/dbraw/zinc/65/11/66/782651166.db2.gz UUAKHOYJJAMQBJ-IWIIMEHWSA-N 1 1 322.369 -1.540 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115303801 782651203 /nfs/dbraw/zinc/65/12/03/782651203.db2.gz KJOFLTOPXDFKOK-YABSGUDNSA-N 1 1 322.413 -1.005 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115346361 782651657 /nfs/dbraw/zinc/65/16/57/782651657.db2.gz VGNCNZCQISLLMX-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115346361 782651663 /nfs/dbraw/zinc/65/16/63/782651663.db2.gz VGNCNZCQISLLMX-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115348823 782651808 /nfs/dbraw/zinc/65/18/08/782651808.db2.gz YULSBHTZGNXEPG-AEISUSGSSA-N 1 1 322.365 -1.506 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nonc1C ZINC001115345369 782651938 /nfs/dbraw/zinc/65/19/38/782651938.db2.gz CUYADXKSBXABTF-VROVMSAKSA-N 1 1 322.325 -1.506 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nonc1C ZINC001115345369 782651948 /nfs/dbraw/zinc/65/19/48/782651948.db2.gz CUYADXKSBXABTF-VROVMSAKSA-N 1 1 322.325 -1.506 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115345271 782651964 /nfs/dbraw/zinc/65/19/64/782651964.db2.gz ARAWJLTWFFTHCA-MTBHXBHISA-N 1 1 308.298 -1.767 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115345271 782651967 /nfs/dbraw/zinc/65/19/67/782651967.db2.gz ARAWJLTWFFTHCA-MTBHXBHISA-N 1 1 308.298 -1.767 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115346305 782652088 /nfs/dbraw/zinc/65/20/88/782652088.db2.gz UJIYUMDWNCSGGX-QHOPCYEYSA-N 1 1 322.325 -1.379 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115346305 782652093 /nfs/dbraw/zinc/65/20/93/782652093.db2.gz UJIYUMDWNCSGGX-QHOPCYEYSA-N 1 1 322.325 -1.379 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCC(N)=O)C1=O ZINC001115350681 782652124 /nfs/dbraw/zinc/65/21/24/782652124.db2.gz VMHGTBTWHNBOIC-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001115350052 782652328 /nfs/dbraw/zinc/65/23/28/782652328.db2.gz MSKZYTDDAUBFRX-BBGACYKPSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001115350052 782652335 /nfs/dbraw/zinc/65/23/35/782652335.db2.gz MSKZYTDDAUBFRX-BBGACYKPSA-N 1 1 324.381 -1.797 20 0 DAADMO NS(=O)(=O)CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115366400 782652740 /nfs/dbraw/zinc/65/27/40/782652740.db2.gz HCQHSUFSVUBZCU-PJXYFTJBSA-N 1 1 319.427 -1.126 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358919 782652880 /nfs/dbraw/zinc/65/28/80/782652880.db2.gz ODLXXDOHGCTAFH-PQFRYHKHSA-N 1 1 320.397 -1.071 20 0 DAADMO C[C@]1(CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001115367341 782653058 /nfs/dbraw/zinc/65/30/58/782653058.db2.gz XDQSGKTZRBKABW-RZCHIYRCSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@]1(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001115367341 782653064 /nfs/dbraw/zinc/65/30/64/782653064.db2.gz XDQSGKTZRBKABW-RZCHIYRCSA-N 1 1 308.382 -1.033 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115253489 782648571 /nfs/dbraw/zinc/64/85/71/782648571.db2.gz CHHHZOZHSHCZGC-PUHVVEEASA-N 1 1 310.398 -1.059 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115253489 782648574 /nfs/dbraw/zinc/64/85/74/782648574.db2.gz CHHHZOZHSHCZGC-PUHVVEEASA-N 1 1 310.398 -1.059 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358410 782653204 /nfs/dbraw/zinc/65/32/04/782653204.db2.gz JJOVNKYONGNWGE-JYAVWHMHSA-N 1 1 320.397 -1.118 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254869 782648811 /nfs/dbraw/zinc/64/88/11/782648811.db2.gz ROFQBPNLVOHYLR-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001115249574 782648829 /nfs/dbraw/zinc/64/88/29/782648829.db2.gz HCCUXMQTDFLYLS-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001115253520 782649096 /nfs/dbraw/zinc/64/90/96/782649096.db2.gz CXDSSPGSULUTBT-DCQANWLSSA-N 1 1 317.411 -1.382 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115261146 782649934 /nfs/dbraw/zinc/64/99/34/782649934.db2.gz LJMBIGXUSOUIQU-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115261146 782649937 /nfs/dbraw/zinc/64/99/37/782649937.db2.gz LJMBIGXUSOUIQU-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001116210809 782658020 /nfs/dbraw/zinc/65/80/20/782658020.db2.gz OKPHRNFXAZRSML-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)C1=O ZINC001115894473 782654959 /nfs/dbraw/zinc/65/49/59/782654959.db2.gz GDDAGTUHVVGXMZ-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CN1C(=O)NC2(CC[NH+](CCNS(C)(=O)=O)CC2)C1=O ZINC001116402214 782660963 /nfs/dbraw/zinc/66/09/63/782660963.db2.gz ZRWPEAJFYOUSRL-UHFFFAOYSA-N 1 1 304.372 -1.448 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCC2)cn1 ZINC001116360312 782661366 /nfs/dbraw/zinc/66/13/66/782661366.db2.gz QWKHSTQOJSRCMU-UHFFFAOYSA-N 1 1 322.369 -1.268 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001116601988 782663632 /nfs/dbraw/zinc/66/36/32/782663632.db2.gz VFQGSFWXLRYLAN-SECBINFHSA-N 1 1 322.325 -1.137 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 ZINC001116617132 782664812 /nfs/dbraw/zinc/66/48/12/782664812.db2.gz WBRPXYYMSMOOSQ-UONOGXRCSA-N 1 1 312.370 -1.062 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 ZINC001116617125 782664908 /nfs/dbraw/zinc/66/49/08/782664908.db2.gz WBRPXYYMSMOOSQ-KBPBESRZSA-N 1 1 312.370 -1.062 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)C1 ZINC001116617135 782665142 /nfs/dbraw/zinc/66/51/42/782665142.db2.gz WBRPXYYMSMOOSQ-ZIAGYGMSSA-N 1 1 312.370 -1.062 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCC(=O)NC(N)=O)C1 ZINC001116822362 782668856 /nfs/dbraw/zinc/66/88/56/782668856.db2.gz VMYUHUSNUPLZMI-WDEREUQCSA-N 1 1 303.359 -1.083 20 0 DAADMO COC[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001117016593 782672498 /nfs/dbraw/zinc/67/24/98/782672498.db2.gz FFRGKUWFMNZCPM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCOCCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001117028933 782672650 /nfs/dbraw/zinc/67/26/50/782672650.db2.gz VAKWDZXCTGUVSS-UHFFFAOYSA-N 1 1 314.386 -1.534 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCc1cnccn1 ZINC001117069967 782673848 /nfs/dbraw/zinc/67/38/48/782673848.db2.gz YZISQQHFEUDBME-UHFFFAOYSA-N 1 1 321.381 -1.026 20 0 DAADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N1CCNC(=O)C1 ZINC001117102558 782674467 /nfs/dbraw/zinc/67/44/67/782674467.db2.gz XQGIEEXHQQBJJS-JTQLQIEISA-N 1 1 307.354 -1.098 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1C[N@H+](C)CCO1 ZINC001117098877 782674609 /nfs/dbraw/zinc/67/46/09/782674609.db2.gz VNAGKNYWNOAETQ-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117098877 782674612 /nfs/dbraw/zinc/67/46/12/782674612.db2.gz VNAGKNYWNOAETQ-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC001117127204 782676387 /nfs/dbraw/zinc/67/63/87/782676387.db2.gz WNSWMBOUFRTZMP-HNNXBMFYSA-N 1 1 308.382 -1.065 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC001117179988 782678418 /nfs/dbraw/zinc/67/84/18/782678418.db2.gz FFCPPBDUDVTRFW-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001117268947 782679741 /nfs/dbraw/zinc/67/97/41/782679741.db2.gz DOLMRIGWQAVBKD-NEPJUHHUSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCn1cncn1)C[NH+]1CCOCC1 ZINC001117266064 782679853 /nfs/dbraw/zinc/67/98/53/782679853.db2.gz FOZKHAULINCDNN-LBPRGKRZSA-N 1 1 324.385 -1.521 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCNS(C)(=O)=O)CC1 ZINC001117274928 782680382 /nfs/dbraw/zinc/68/03/82/782680382.db2.gz NTIVQDPVTYWAAH-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO O=C(NCCn1cncn1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001117303592 782681489 /nfs/dbraw/zinc/68/14/89/782681489.db2.gz XJZKUQJTPRVQNJ-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC001117314674 782682831 /nfs/dbraw/zinc/68/28/31/782682831.db2.gz HYUJEMDLGKUGJG-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001117320353 782684228 /nfs/dbraw/zinc/68/42/28/782684228.db2.gz HOZLHTNEIAHQIN-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001117328955 782685441 /nfs/dbraw/zinc/68/54/41/782685441.db2.gz GEDSFIDJEVVNKY-UHFFFAOYSA-N 1 1 324.385 -1.255 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC001117360174 782687427 /nfs/dbraw/zinc/68/74/27/782687427.db2.gz SWAVURZVCRGFCC-LBPRGKRZSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C(NCCN1C(=O)CCC1=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117370447 782687494 /nfs/dbraw/zinc/68/74/94/782687494.db2.gz BWULWJOMBIQLRO-JTQLQIEISA-N 1 1 322.365 -1.396 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCOC1 ZINC001117408555 782688683 /nfs/dbraw/zinc/68/86/83/782688683.db2.gz HMQLKNUEYSMXPF-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001117585700 782695283 /nfs/dbraw/zinc/69/52/83/782695283.db2.gz KEEXICROTUYCLK-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001117585700 782695287 /nfs/dbraw/zinc/69/52/87/782695287.db2.gz KEEXICROTUYCLK-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001117605649 782696426 /nfs/dbraw/zinc/69/64/26/782696426.db2.gz IUUXLGKOIZDMPQ-AXFHLTTASA-N 1 1 312.370 -1.654 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)NCCCN1CCCC1=O ZINC001117547861 782693770 /nfs/dbraw/zinc/69/37/70/782693770.db2.gz MZHCXQUJJGBCCR-CHWSQXEVSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)NCCCN1CCCC1=O ZINC001117547861 782693775 /nfs/dbraw/zinc/69/37/75/782693775.db2.gz MZHCXQUJJGBCCR-CHWSQXEVSA-N 1 1 313.398 -1.210 20 0 DAADMO NS(=O)(=O)CCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001117806115 782700738 /nfs/dbraw/zinc/70/07/38/782700738.db2.gz VFUIXRZAOXSYPF-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O ZINC001118393518 782717686 /nfs/dbraw/zinc/71/76/86/782717686.db2.gz FELGYBYDMFFIDU-VHSXEESVSA-N 1 1 313.358 -1.674 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCn2cnnc2C1 ZINC001118389638 782718030 /nfs/dbraw/zinc/71/80/30/782718030.db2.gz JLWXSUDMISCECF-WDEREUQCSA-N 1 1 320.353 -2.102 20 0 DAADMO Cn1cccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1=O ZINC001118373644 782718217 /nfs/dbraw/zinc/71/82/17/782718217.db2.gz JNZASTXLDWPAPJ-WDEREUQCSA-N 1 1 320.349 -1.399 20 0 DAADMO NC(=O)CC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118409561 782719459 /nfs/dbraw/zinc/71/94/59/782719459.db2.gz ZDPRQFRNCBZIHJ-WDEREUQCSA-N 1 1 324.381 -1.964 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001118494463 782723180 /nfs/dbraw/zinc/72/31/80/782723180.db2.gz GLBFAZZBXCNGFR-LBPRGKRZSA-N 1 1 324.381 -1.998 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727026 /nfs/dbraw/zinc/72/70/26/782727026.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727027 /nfs/dbraw/zinc/72/70/27/782727027.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@@H+](C/C=C/CN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727030 /nfs/dbraw/zinc/72/70/30/782727030.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@H+](C/C=C/CN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727031 /nfs/dbraw/zinc/72/70/31/782727031.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727034 /nfs/dbraw/zinc/72/70/34/782727034.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558117 782727035 /nfs/dbraw/zinc/72/70/35/782727035.db2.gz MXNVHSYDYSENPA-NTXWRNLQSA-N 1 1 314.426 -1.107 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCNC1=O ZINC001118610249 782727914 /nfs/dbraw/zinc/72/79/14/782727914.db2.gz JTEMIHQWECDDHF-QWHCGFSZSA-N 1 1 310.398 -1.355 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001118682479 782731167 /nfs/dbraw/zinc/73/11/67/782731167.db2.gz LWVKBDIAZYVJPY-SLEUVZQESA-N 1 1 310.398 -1.668 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149082396 782731965 /nfs/dbraw/zinc/73/19/65/782731965.db2.gz NXCTWKMKANKCCL-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149082396 782731967 /nfs/dbraw/zinc/73/19/67/782731967.db2.gz NXCTWKMKANKCCL-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)n1 ZINC001118861718 782735546 /nfs/dbraw/zinc/73/55/46/782735546.db2.gz AQVOTOIQBOFRAQ-NSHDSACASA-N 1 1 324.385 -1.512 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001149082896 782735716 /nfs/dbraw/zinc/73/57/16/782735716.db2.gz QKZXPILDHQFIFR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001149082896 782735723 /nfs/dbraw/zinc/73/57/23/782735723.db2.gz QKZXPILDHQFIFR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CCn1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1=O ZINC001118938302 782742326 /nfs/dbraw/zinc/74/23/26/782742326.db2.gz ALOQNSFJJDOGRP-LLVKDONJSA-N 1 1 322.365 -1.011 20 0 DAADMO CN1C(=O)CN(CC(=O)NC2CC([NH+]3CCOCC3)C2)C1=O ZINC001118879393 782738911 /nfs/dbraw/zinc/73/89/11/782738911.db2.gz XUYUEVHKXAAJRZ-UHFFFAOYSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]1NC(=O)N(CC[NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC001118904424 782740149 /nfs/dbraw/zinc/74/01/49/782740149.db2.gz WOUWDLOVGFJCQF-MRVPVSSYSA-N 1 1 319.387 -1.816 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ncccn1)[C@@H]1C[N@H+](C)CCO1 ZINC001119080203 782746897 /nfs/dbraw/zinc/74/68/97/782746897.db2.gz HJDDAUJFRIFUIN-MNOVXSKESA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ncccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001119080203 782746904 /nfs/dbraw/zinc/74/69/04/782746904.db2.gz HJDDAUJFRIFUIN-MNOVXSKESA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@@H]21 ZINC001119103764 782746958 /nfs/dbraw/zinc/74/69/58/782746958.db2.gz OFFPDWGVNQSGIR-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ncccn1)[C@H]1C[N@H+](C)CCO1 ZINC001119080202 782747179 /nfs/dbraw/zinc/74/71/79/782747179.db2.gz HJDDAUJFRIFUIN-GHMZBOCLSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ncccn1)[C@H]1C[N@@H+](C)CCO1 ZINC001119080202 782747188 /nfs/dbraw/zinc/74/71/88/782747188.db2.gz HJDDAUJFRIFUIN-GHMZBOCLSA-N 1 1 307.354 -1.072 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084649 782749196 /nfs/dbraw/zinc/74/91/96/782749196.db2.gz YSFLEPKBLPJSTQ-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084649 782749202 /nfs/dbraw/zinc/74/92/02/782749202.db2.gz YSFLEPKBLPJSTQ-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCCNC(=O)C1 ZINC001119178432 782749882 /nfs/dbraw/zinc/74/98/82/782749882.db2.gz XRNRABRPWIQITG-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001119189739 782750308 /nfs/dbraw/zinc/75/03/08/782750308.db2.gz XIZVFXLZMMQKBB-FRRDWIJNSA-N 1 1 310.398 -1.547 20 0 DAADMO Cn1nnnc1CCN1CCC[N@@H+](CCc2nnnn2C)CC1 ZINC001119306815 782751067 /nfs/dbraw/zinc/75/10/67/782751067.db2.gz VAMDKZCVBKQRQQ-UHFFFAOYSA-N 1 1 320.405 -1.474 20 0 DAADMO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H]2C1 ZINC001119363299 782752371 /nfs/dbraw/zinc/75/23/71/782752371.db2.gz WHILERITUIIIDB-AOOOYVTPSA-N 1 1 318.324 -1.367 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC001119526381 782754285 /nfs/dbraw/zinc/75/42/85/782754285.db2.gz CSJHWFQFZXUMFS-LBPRGKRZSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001119463683 782754399 /nfs/dbraw/zinc/75/43/99/782754399.db2.gz LOIMQDGXSHRZDA-AWEZNQCLSA-N 1 1 324.425 -1.112 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC001119526380 782754746 /nfs/dbraw/zinc/75/47/46/782754746.db2.gz CSJHWFQFZXUMFS-GFCCVEGCSA-N 1 1 312.370 -1.830 20 0 DAADMO Cn1cc(C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)cn1 ZINC001266256955 775118926 /nfs/dbraw/zinc/11/89/26/775118926.db2.gz OVIHQOBNRBLHAV-UHFFFAOYSA-N 1 1 308.386 -1.357 20 0 DAADMO COC(=O)NCC(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266258230 775120033 /nfs/dbraw/zinc/12/00/33/775120033.db2.gz ZQXFKXKWLFEKGQ-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001266248288 775120602 /nfs/dbraw/zinc/12/06/02/775120602.db2.gz JCSKURHIJKAFFP-GHMZBOCLSA-N 1 1 312.370 -1.062 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266270702 775121097 /nfs/dbraw/zinc/12/10/97/775121097.db2.gz BFGKLHCWGXCECC-SECBINFHSA-N 1 1 308.342 -1.235 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266270702 775121103 /nfs/dbraw/zinc/12/11/03/775121103.db2.gz BFGKLHCWGXCECC-SECBINFHSA-N 1 1 308.342 -1.235 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)Cn2ccnc2)CC1 ZINC001266279557 775121659 /nfs/dbraw/zinc/12/16/59/775121659.db2.gz VAZLFZNWNIEGIK-UHFFFAOYSA-N 1 1 322.413 -1.247 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001266269845 775121930 /nfs/dbraw/zinc/12/19/30/775121930.db2.gz QPXZLHHJCBVSND-NSHDSACASA-N 1 1 311.386 -2.268 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)[C@@H]1CCOC1 ZINC001266280999 775122760 /nfs/dbraw/zinc/12/27/60/775122760.db2.gz AYEZKRDOKMUMNS-CQSZACIVSA-N 1 1 315.414 -1.234 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001266288614 775122837 /nfs/dbraw/zinc/12/28/37/775122837.db2.gz KIDMUEKKKQVBAU-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001266288614 775122839 /nfs/dbraw/zinc/12/28/39/775122839.db2.gz KIDMUEKKKQVBAU-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266282928 775122997 /nfs/dbraw/zinc/12/29/97/775122997.db2.gz XMCJJCMOFHPLQH-UWVGGRQHSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001279357201 775126602 /nfs/dbraw/zinc/12/66/02/775126602.db2.gz QYPXWHMRMKAVFB-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(N)=O ZINC001266315960 775127459 /nfs/dbraw/zinc/12/74/59/775127459.db2.gz LRVNDNAQWRWVRL-QMMMGPOBSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(N)=O ZINC001266315960 775127462 /nfs/dbraw/zinc/12/74/62/775127462.db2.gz LRVNDNAQWRWVRL-QMMMGPOBSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266315382 775127937 /nfs/dbraw/zinc/12/79/37/775127937.db2.gz VDRPJCQPKUUKRB-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266315382 775127941 /nfs/dbraw/zinc/12/79/41/775127941.db2.gz VDRPJCQPKUUKRB-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001266311155 775127956 /nfs/dbraw/zinc/12/79/56/775127956.db2.gz SFAVWBOEZLHUCI-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO C[N@@H+](CCNC(=O)C(N)=O)C[C@H](O)COCC(F)(F)F ZINC001266315969 775128218 /nfs/dbraw/zinc/12/82/18/775128218.db2.gz MEAWXPPNNPPOGQ-ZETCQYMHSA-N 1 1 301.265 -1.541 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266310948 775128296 /nfs/dbraw/zinc/12/82/96/775128296.db2.gz OKVWKXXUWFGUGF-UWVGGRQHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266310948 775128301 /nfs/dbraw/zinc/12/83/01/775128301.db2.gz OKVWKXXUWFGUGF-UWVGGRQHSA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001266316347 775128600 /nfs/dbraw/zinc/12/86/00/775128600.db2.gz BEIQEOGWJNINJX-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266322644 775129273 /nfs/dbraw/zinc/12/92/73/775129273.db2.gz LCGORDPZOFRWSX-GUBZILKMSA-N 1 1 314.342 -2.218 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001266317568 775129541 /nfs/dbraw/zinc/12/95/41/775129541.db2.gz RTJIAYSATRLDKG-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001266319508 775129678 /nfs/dbraw/zinc/12/96/78/775129678.db2.gz MYASJAGVOHFTLT-QWHCGFSZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccnnc1)CCN1C(=O)CNC1=O ZINC001266329867 775130217 /nfs/dbraw/zinc/13/02/17/775130217.db2.gz KNTPHKAPIWWTTO-UHFFFAOYSA-N 1 1 306.326 -1.310 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266327301 775130229 /nfs/dbraw/zinc/13/02/29/775130229.db2.gz CHROUWZGJIKWCW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266327301 775130231 /nfs/dbraw/zinc/13/02/31/775130231.db2.gz CHROUWZGJIKWCW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO COC[C@@H](OC)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266324085 775130604 /nfs/dbraw/zinc/13/06/04/775130604.db2.gz VDFRZBWTBVNBCN-VHSXEESVSA-N 1 1 301.343 -1.499 20 0 DAADMO COC[C@@H](OC)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266324085 775130611 /nfs/dbraw/zinc/13/06/11/775130611.db2.gz VDFRZBWTBVNBCN-VHSXEESVSA-N 1 1 301.343 -1.499 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001266327865 775131127 /nfs/dbraw/zinc/13/11/27/775131127.db2.gz NJMVHNDITAKADX-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266327378 775131160 /nfs/dbraw/zinc/13/11/60/775131160.db2.gz DJYRYPNLTHWABB-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266349407 775133205 /nfs/dbraw/zinc/13/32/05/775133205.db2.gz FWJKVPBRYJZUMP-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266349407 775133207 /nfs/dbraw/zinc/13/32/07/775133207.db2.gz FWJKVPBRYJZUMP-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO CN1CCC[C@@H]([N@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001266357889 775135976 /nfs/dbraw/zinc/13/59/76/775135976.db2.gz JHUVYSVVPLMVIL-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001266357889 775135980 /nfs/dbraw/zinc/13/59/80/775135980.db2.gz JHUVYSVVPLMVIL-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001266386027 775137674 /nfs/dbraw/zinc/13/76/74/775137674.db2.gz OVUIPABSMNARGC-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001266386295 775138772 /nfs/dbraw/zinc/13/87/72/775138772.db2.gz ZFYDRHORLBBBMM-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001266386295 775138776 /nfs/dbraw/zinc/13/87/76/775138776.db2.gz ZFYDRHORLBBBMM-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)CC1 ZINC001266433410 775141119 /nfs/dbraw/zinc/14/11/19/775141119.db2.gz CMEYRKXNQDDKNZ-JTQLQIEISA-N 1 1 321.385 -1.279 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)[C@H]1CCCNC1=O ZINC001266442166 775142247 /nfs/dbraw/zinc/14/22/47/775142247.db2.gz AGNCEDLLSYDHKP-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)CC(=O)NC ZINC001266434963 775142912 /nfs/dbraw/zinc/14/29/12/775142912.db2.gz VYQGMOJXZPMBIJ-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)CC(=O)NC ZINC001266434963 775142917 /nfs/dbraw/zinc/14/29/17/775142917.db2.gz VYQGMOJXZPMBIJ-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001266444207 775143246 /nfs/dbraw/zinc/14/32/46/775143246.db2.gz YHPCRROQJBJQCA-VHSXEESVSA-N 1 1 312.370 -1.259 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001266444206 775143273 /nfs/dbraw/zinc/14/32/73/775143273.db2.gz YHPCRROQJBJQCA-UWVGGRQHSA-N 1 1 312.370 -1.259 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001266454517 775143895 /nfs/dbraw/zinc/14/38/95/775143895.db2.gz XTMUFWPMWNMDBK-RYUDHWBXSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001266480107 775144427 /nfs/dbraw/zinc/14/44/27/775144427.db2.gz KDMRIEHOKDTAAY-NSHDSACASA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001266480107 775144432 /nfs/dbraw/zinc/14/44/32/775144432.db2.gz KDMRIEHOKDTAAY-NSHDSACASA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001266480106 775144797 /nfs/dbraw/zinc/14/47/97/775144797.db2.gz KDMRIEHOKDTAAY-LLVKDONJSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001266480106 775144802 /nfs/dbraw/zinc/14/48/02/775144802.db2.gz KDMRIEHOKDTAAY-LLVKDONJSA-N 1 1 317.411 -1.123 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCOCCO)C1)[C@H]1CCNC(=O)C1 ZINC001266508109 775146454 /nfs/dbraw/zinc/14/64/54/775146454.db2.gz GDWARNLSUWVVEV-OLZOCXBDSA-N 1 1 313.398 -1.040 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266499429 775146917 /nfs/dbraw/zinc/14/69/17/775146917.db2.gz ANJAJFTWKWORHW-NEPJUHHUSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001266518053 775148023 /nfs/dbraw/zinc/14/80/23/775148023.db2.gz SJIKFOBOPJHYGD-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266527790 775150023 /nfs/dbraw/zinc/15/00/23/775150023.db2.gz DIFAGWYMJLNOFQ-VHSXEESVSA-N 1 1 303.384 -1.656 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001266528030 775150279 /nfs/dbraw/zinc/15/02/79/775150279.db2.gz IFRWNJJFDHXKEX-GHMZBOCLSA-N 1 1 308.382 -1.031 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)[C@H](C)NS(C)(=O)=O)o1 ZINC001167323662 775151526 /nfs/dbraw/zinc/15/15/26/775151526.db2.gz GNIHUKDZLQPHSE-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001125414267 775154566 /nfs/dbraw/zinc/15/45/66/775154566.db2.gz HRVSMOMXBPUGIB-UHFFFAOYSA-N 1 1 309.330 -2.005 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001125419953 775156425 /nfs/dbraw/zinc/15/64/25/775156425.db2.gz WFWWESOZLRFIOL-LLVKDONJSA-N 1 1 307.358 -1.299 20 0 DAADMO CCC[N@H+](CCNC(=O)C(N)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001266571054 775156576 /nfs/dbraw/zinc/15/65/76/775156576.db2.gz GATYVJRBKFKBBI-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC[N@@H+](CCNC(=O)C(N)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001266571054 775156583 /nfs/dbraw/zinc/15/65/83/775156583.db2.gz GATYVJRBKFKBBI-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125414893 775156719 /nfs/dbraw/zinc/15/67/19/775156719.db2.gz YSKOIMHCTJYVQM-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419550 775156774 /nfs/dbraw/zinc/15/67/74/775156774.db2.gz KBQXMNSUWYMUHF-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO C[C@H](NC1CC[NH+](CCNC(=O)C(N)=O)CC1)c1nncn1C ZINC001279446908 775158704 /nfs/dbraw/zinc/15/87/04/775158704.db2.gz YZWNFEGUKHRDOC-JTQLQIEISA-N 1 1 323.401 -1.468 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC001167377202 775159148 /nfs/dbraw/zinc/15/91/48/775159148.db2.gz OZQVVQXOIABBJH-DTWKUNHWSA-N 1 1 304.372 -1.450 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC001167377202 775159158 /nfs/dbraw/zinc/15/91/58/775159158.db2.gz OZQVVQXOIABBJH-DTWKUNHWSA-N 1 1 304.372 -1.450 20 0 DAADMO CCn1ncc(CNC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001279446441 775159587 /nfs/dbraw/zinc/15/95/87/775159587.db2.gz JYPQQAGUGZKJDG-UHFFFAOYSA-N 1 1 323.401 -1.547 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001266604125 775160529 /nfs/dbraw/zinc/16/05/29/775160529.db2.gz QNHMJPOZCMSGHH-MGCOHNPYSA-N 1 1 324.389 -1.215 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1CCNC1=O)C1CC1)N1CCC1 ZINC001266604419 775160882 /nfs/dbraw/zinc/16/08/82/775160882.db2.gz DKHLQOMHAQJIOZ-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)C1CC1)N1CCC1 ZINC001266604419 775160889 /nfs/dbraw/zinc/16/08/89/775160889.db2.gz DKHLQOMHAQJIOZ-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001266604969 775160995 /nfs/dbraw/zinc/16/09/95/775160995.db2.gz WZYGLRZXRDHFJX-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001266604969 775160998 /nfs/dbraw/zinc/16/09/98/775160998.db2.gz WZYGLRZXRDHFJX-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001266619759 775163534 /nfs/dbraw/zinc/16/35/34/775163534.db2.gz ZPZVGDAEWRSSEO-UHFFFAOYSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001266619759 775163540 /nfs/dbraw/zinc/16/35/40/775163540.db2.gz ZPZVGDAEWRSSEO-UHFFFAOYSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471552 775166808 /nfs/dbraw/zinc/16/68/08/775166808.db2.gz PZSVDBSFXSMYTK-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471552 775166814 /nfs/dbraw/zinc/16/68/14/775166814.db2.gz PZSVDBSFXSMYTK-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)c1ccn[nH]1 ZINC001266647071 775167370 /nfs/dbraw/zinc/16/73/70/775167370.db2.gz UIDWTYYGXVFRKE-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149255827 775168571 /nfs/dbraw/zinc/16/85/71/775168571.db2.gz GUXVHFGBTLHBMZ-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149255827 775168574 /nfs/dbraw/zinc/16/85/74/775168574.db2.gz GUXVHFGBTLHBMZ-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149257022 775169622 /nfs/dbraw/zinc/16/96/22/775169622.db2.gz WEJZHRZOQWPALX-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149257023 775170095 /nfs/dbraw/zinc/17/00/95/775170095.db2.gz WEJZHRZOQWPALX-QWRGUYRKSA-N 1 1 303.359 -1.070 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](COC)OC)C1 ZINC001283047642 775170614 /nfs/dbraw/zinc/17/06/14/775170614.db2.gz LSSDOEMLYFCGKP-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](COC)OC)C1 ZINC001283047642 775170617 /nfs/dbraw/zinc/17/06/17/775170617.db2.gz LSSDOEMLYFCGKP-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971468495 775176840 /nfs/dbraw/zinc/17/68/40/775176840.db2.gz SLFGQIILQKTOHC-SECBINFHSA-N 1 1 320.357 -1.417 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C(C)C ZINC001114939362 775178986 /nfs/dbraw/zinc/17/89/86/775178986.db2.gz GUVLOKNZWFVHQY-UZGDPCLZSA-N 1 1 313.398 -1.188 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001266798359 775179142 /nfs/dbraw/zinc/17/91/42/775179142.db2.gz NVQAXMVEZSUKTR-LLVKDONJSA-N 1 1 324.385 -1.073 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111586493 775182522 /nfs/dbraw/zinc/18/25/22/775182522.db2.gz YTEMCJFCHYBLCK-RWSFTLGLSA-N 1 1 323.397 -1.096 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001279530468 775184194 /nfs/dbraw/zinc/18/41/94/775184194.db2.gz UZDHPHSJBUWZIH-AWEZNQCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1)c1nnnn1C ZINC001266888069 775186151 /nfs/dbraw/zinc/18/61/51/775186151.db2.gz LBODQMKFWBPXHB-QMMMGPOBSA-N 1 1 323.357 -1.628 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901204 775186479 /nfs/dbraw/zinc/18/64/79/775186479.db2.gz HEBIWEMARKNOMZ-NDXHXBTESA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901204 775186484 /nfs/dbraw/zinc/18/64/84/775186484.db2.gz HEBIWEMARKNOMZ-NDXHXBTESA-N 1 1 308.382 -1.177 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001266932883 775187172 /nfs/dbraw/zinc/18/71/72/775187172.db2.gz JGWWVJWNGRATJH-SNVBAGLBSA-N 1 1 324.385 -1.071 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)[NH2+]Cc1nncn1C ZINC001266943401 775187849 /nfs/dbraw/zinc/18/78/49/775187849.db2.gz XSZFPXCLFTZBCA-UWVGGRQHSA-N 1 1 322.369 -1.053 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001266966792 775189548 /nfs/dbraw/zinc/18/95/48/775189548.db2.gz CJWCIYFFRSLSMB-VIFPVBQESA-N 1 1 309.374 -1.057 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)[nH]n1 ZINC001125552053 775189701 /nfs/dbraw/zinc/18/97/01/775189701.db2.gz LALDQWPDXYLHSM-UHFFFAOYSA-N 1 1 303.388 -1.484 20 0 DAADMO C[C@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266976475 775191198 /nfs/dbraw/zinc/19/11/98/775191198.db2.gz ZUDKUSSLFLJRKU-SNVBAGLBSA-N 1 1 322.369 -1.012 20 0 DAADMO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001266979075 775191654 /nfs/dbraw/zinc/19/16/54/775191654.db2.gz XZXPKDHXIJAOHR-MRVPVSSYSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+][C@@H](C)c1nncn1C ZINC001266991611 775192465 /nfs/dbraw/zinc/19/24/65/775192465.db2.gz NYVLMRGWRAYTNP-BDAKNGLRSA-N 1 1 323.357 -1.478 20 0 DAADMO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1ncccn1 ZINC001266985606 775192493 /nfs/dbraw/zinc/19/24/93/775192493.db2.gz NKYINSHUAPYCLZ-JTQLQIEISA-N 1 1 320.353 -1.035 20 0 DAADMO C[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001266992006 775192638 /nfs/dbraw/zinc/19/26/38/775192638.db2.gz XJLCQHPAHADGCL-SCZZXKLOSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001266991706 775192903 /nfs/dbraw/zinc/19/29/03/775192903.db2.gz QBGQIUOVTMMQPW-SCZZXKLOSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+]Cc1nccn1C ZINC001266991735 775193207 /nfs/dbraw/zinc/19/32/07/775193207.db2.gz QUXZOVVPPDTREG-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+][C@H](C)c1nncn1C ZINC001266991614 775193605 /nfs/dbraw/zinc/19/36/05/775193605.db2.gz NYVLMRGWRAYTNP-RKDXNWHRSA-N 1 1 323.357 -1.478 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001098564096 775203289 /nfs/dbraw/zinc/20/32/89/775203289.db2.gz MNPGULVWIKFWBX-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001098564135 775203761 /nfs/dbraw/zinc/20/37/61/775203761.db2.gz NXYDZZFGVLPVPS-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001098564097 775203966 /nfs/dbraw/zinc/20/39/66/775203966.db2.gz MNPGULVWIKFWBX-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114486 775205417 /nfs/dbraw/zinc/20/54/17/775205417.db2.gz GPXSKXQPKYKTQX-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)c1cn(CC(N)=O)nn1 ZINC001267116765 775206812 /nfs/dbraw/zinc/20/68/12/775206812.db2.gz HCSMEBFEUPRVTQ-UHFFFAOYSA-N 1 1 321.345 -2.246 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001267156639 775207584 /nfs/dbraw/zinc/20/75/84/775207584.db2.gz BYIGZTMHYYRUSM-MRVPVSSYSA-N 1 1 324.341 -1.086 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267159787 775208457 /nfs/dbraw/zinc/20/84/57/775208457.db2.gz YCARPYWCHOUEEN-VIFPVBQESA-N 1 1 308.342 -1.584 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CCN1C(=O)CCC1=O ZINC001267192587 775211413 /nfs/dbraw/zinc/21/14/13/775211413.db2.gz QZHAJRMZSBDNKJ-LLVKDONJSA-N 1 1 324.381 -1.290 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001267206069 775212284 /nfs/dbraw/zinc/21/22/84/775212284.db2.gz LRRAPIGACBIFRZ-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001267206069 775212293 /nfs/dbraw/zinc/21/22/93/775212293.db2.gz LRRAPIGACBIFRZ-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267199349 775213218 /nfs/dbraw/zinc/21/32/18/775213218.db2.gz MBNNOWGGUSXURL-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267199349 775213225 /nfs/dbraw/zinc/21/32/25/775213225.db2.gz MBNNOWGGUSXURL-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267199356 775213280 /nfs/dbraw/zinc/21/32/80/775213280.db2.gz MBNNOWGGUSXURL-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267199356 775213284 /nfs/dbraw/zinc/21/32/84/775213284.db2.gz MBNNOWGGUSXURL-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001098572463 775214304 /nfs/dbraw/zinc/21/43/04/775214304.db2.gz JDCGKMLFKACVOF-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC1=O)C[C@@H](O)Cn1cccn1 ZINC001267217745 775215598 /nfs/dbraw/zinc/21/55/98/775215598.db2.gz OLSLGCINEHAXEH-DOMZBBRYSA-N 1 1 323.397 -1.182 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC ZINC001213671289 775215929 /nfs/dbraw/zinc/21/59/29/775215929.db2.gz AADCEHLOTQISEP-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+](CCNC(=O)CC(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001267237706 775216899 /nfs/dbraw/zinc/21/68/99/775216899.db2.gz UPHZGELDZRKTGS-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001267237706 775216906 /nfs/dbraw/zinc/21/69/06/775216906.db2.gz UPHZGELDZRKTGS-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)CCCN1C(=O)CNC1=O ZINC001267229591 775217442 /nfs/dbraw/zinc/21/74/42/775217442.db2.gz QJXZVNLOHUOEQZ-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114992327 775217945 /nfs/dbraw/zinc/21/79/45/775217945.db2.gz SBLSGXJCOYXXSY-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114992327 775217955 /nfs/dbraw/zinc/21/79/55/775217955.db2.gz SBLSGXJCOYXXSY-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001267229445 775217980 /nfs/dbraw/zinc/21/79/80/775217980.db2.gz NNNKZBDVZNRJCV-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001267229445 775217991 /nfs/dbraw/zinc/21/79/91/775217991.db2.gz NNNKZBDVZNRJCV-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nnc(C)[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001267240985 775218110 /nfs/dbraw/zinc/21/81/10/775218110.db2.gz GWFWEJFOAFTZOZ-SNVBAGLBSA-N 1 1 322.369 -1.101 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nnc(C)[nH]1)[C@H]1CCC(=O)NC1=O ZINC001267240984 775218263 /nfs/dbraw/zinc/21/82/63/775218263.db2.gz GWFWEJFOAFTZOZ-JTQLQIEISA-N 1 1 322.369 -1.101 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nonc1C)CCN1C(=O)CNC1=O ZINC001267256934 775219509 /nfs/dbraw/zinc/21/95/09/775219509.db2.gz ITKHSFQNFUMYHX-UHFFFAOYSA-N 1 1 324.341 -1.018 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)CCN1C(=O)CCC1=O ZINC001267254878 775220036 /nfs/dbraw/zinc/22/00/36/775220036.db2.gz IYNHYRLRBMNTOR-UHFFFAOYSA-N 1 1 322.369 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)c1[nH]nnc1C)CCN1C(=O)CNC1=O ZINC001267247343 775220387 /nfs/dbraw/zinc/22/03/87/775220387.db2.gz JFZFBHSNXOXWFE-UHFFFAOYSA-N 1 1 323.357 -1.283 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1C)[C@@H]1CCC(=O)NC1=O ZINC001267249844 775220522 /nfs/dbraw/zinc/22/05/22/775220522.db2.gz XODNTIMPFQNCRM-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)cc1=O ZINC001267296510 775224561 /nfs/dbraw/zinc/22/45/61/775224561.db2.gz PBDVCFQMEHVBEO-GFCCVEGCSA-N 1 1 324.381 -1.159 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267285651 775224861 /nfs/dbraw/zinc/22/48/61/775224861.db2.gz LYNPVCRFDFJIOW-WDEREUQCSA-N 1 1 310.354 -1.634 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267301747 775225402 /nfs/dbraw/zinc/22/54/02/775225402.db2.gz FLUNRNPKVLGYHG-WDEREUQCSA-N 1 1 317.411 -1.265 20 0 DAADMO CCC[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCNC1=O ZINC001267318000 775226147 /nfs/dbraw/zinc/22/61/47/775226147.db2.gz DMFXKXZEGCBKJR-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267308642 775226471 /nfs/dbraw/zinc/22/64/71/775226471.db2.gz CYBFSRMMUTUJNR-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CCC[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCNC1=O ZINC001267318001 775226485 /nfs/dbraw/zinc/22/64/85/775226485.db2.gz DMFXKXZEGCBKJR-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267301746 775226946 /nfs/dbraw/zinc/22/69/46/775226946.db2.gz FLUNRNPKVLGYHG-QWRGUYRKSA-N 1 1 317.411 -1.265 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[N@H+](CCF)C2CC2)C1=O ZINC001267333986 775227572 /nfs/dbraw/zinc/22/75/72/775227572.db2.gz TUDIPNWAHLFMJU-UHFFFAOYSA-N 1 1 314.317 -1.043 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](CCF)C2CC2)C1=O ZINC001267333986 775227577 /nfs/dbraw/zinc/22/75/77/775227577.db2.gz TUDIPNWAHLFMJU-UHFFFAOYSA-N 1 1 314.317 -1.043 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267321988 775227767 /nfs/dbraw/zinc/22/77/67/775227767.db2.gz QNXQVMXMIHKJHN-JOYOIKCWSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267321988 775227770 /nfs/dbraw/zinc/22/77/70/775227770.db2.gz QNXQVMXMIHKJHN-JOYOIKCWSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267321987 775228302 /nfs/dbraw/zinc/22/83/02/775228302.db2.gz QNXQVMXMIHKJHN-CABZTGNLSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267321987 775228312 /nfs/dbraw/zinc/22/83/12/775228312.db2.gz QNXQVMXMIHKJHN-CABZTGNLSA-N 1 1 324.381 -1.103 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001267327344 775228574 /nfs/dbraw/zinc/22/85/74/775228574.db2.gz KDWRRVJRXQPGFD-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001267327344 775228579 /nfs/dbraw/zinc/22/85/79/775228579.db2.gz KDWRRVJRXQPGFD-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001267326566 775228710 /nfs/dbraw/zinc/22/87/10/775228710.db2.gz SFKYQNBIJINERJ-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001267326566 775228718 /nfs/dbraw/zinc/22/87/18/775228718.db2.gz SFKYQNBIJINERJ-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001267327342 775228941 /nfs/dbraw/zinc/22/89/41/775228941.db2.gz KDWRRVJRXQPGFD-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001267327342 775228946 /nfs/dbraw/zinc/22/89/46/775228946.db2.gz KDWRRVJRXQPGFD-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CCn1cc[nH]c(=O)c1=O)C1CC1 ZINC001267334782 775229285 /nfs/dbraw/zinc/22/92/85/775229285.db2.gz FPZSPWLVDFNEMO-NSHDSACASA-N 1 1 324.381 -1.112 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1nonc1C ZINC001267380937 775233001 /nfs/dbraw/zinc/23/30/01/775233001.db2.gz QPNAQAWHHOGRMJ-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)CN1CCNC(=O)C1 ZINC001267411846 775236187 /nfs/dbraw/zinc/23/61/87/775236187.db2.gz DOFSGMYECIAZIL-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001267411709 775237194 /nfs/dbraw/zinc/23/71/94/775237194.db2.gz CFEQGIXUHWYFSG-UHFFFAOYSA-N 1 1 310.358 -1.642 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1nccs1 ZINC001267409476 775237468 /nfs/dbraw/zinc/23/74/68/775237468.db2.gz SJTNSHLCBRIUKK-UHFFFAOYSA-N 1 1 321.428 -1.255 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267427991 775238381 /nfs/dbraw/zinc/23/83/81/775238381.db2.gz WYLILSDUBMYMLC-VHSXEESVSA-N 1 1 310.358 -1.604 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001267416429 775239570 /nfs/dbraw/zinc/23/95/70/775239570.db2.gz QADPJSJQWGYCEC-ZDUSSCGKSA-N 1 1 309.374 -1.326 20 0 DAADMO CCn1nc(C(=O)N(C)CC[NH2+]Cc2nnnn2C)ccc1=O ZINC001267442228 775240664 /nfs/dbraw/zinc/24/06/64/775240664.db2.gz NBLNLEWZPQPSPT-UHFFFAOYSA-N 1 1 320.357 -1.352 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CN1C(=O)CN(C)C1=O ZINC001267465729 775242905 /nfs/dbraw/zinc/24/29/05/775242905.db2.gz FZNWSQNLQJOCDW-UHFFFAOYSA-N 1 1 323.357 -1.743 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087270815 775243519 /nfs/dbraw/zinc/24/35/19/775243519.db2.gz HEDCRAJYYNPWMV-BIMULSAOSA-N 1 1 321.385 -1.236 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267477729 775244780 /nfs/dbraw/zinc/24/47/80/775244780.db2.gz KDMOFHSPYRVWPR-SNVBAGLBSA-N 1 1 322.369 -1.101 20 0 DAADMO CCCN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001267482174 775246435 /nfs/dbraw/zinc/24/64/35/775246435.db2.gz OWCFIEXIHHRHCD-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CCCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267482174 775246440 /nfs/dbraw/zinc/24/64/40/775246440.db2.gz OWCFIEXIHHRHCD-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087335756 775248705 /nfs/dbraw/zinc/24/87/05/775248705.db2.gz PYXDJISHDWQROJ-RNJOBUHISA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087335757 775248813 /nfs/dbraw/zinc/24/88/13/775248813.db2.gz PYXDJISHDWQROJ-RVMXOQNASA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)c1cnnn1C ZINC001279705327 775249033 /nfs/dbraw/zinc/24/90/33/775249033.db2.gz NKWHCNUQXAXUKZ-UHFFFAOYSA-N 1 1 307.358 -1.227 20 0 DAADMO NC(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267554579 775250190 /nfs/dbraw/zinc/25/01/90/775250190.db2.gz INXRRWGBWOHVFT-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267560757 775251445 /nfs/dbraw/zinc/25/14/45/775251445.db2.gz MNAMPNMCWNVTAH-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](CCNC(=O)C(N)=O)C1 ZINC001267571047 775251654 /nfs/dbraw/zinc/25/16/54/775251654.db2.gz VKDYEUPYPGCSSF-GFCCVEGCSA-N 1 1 314.386 -1.547 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087358537 775252714 /nfs/dbraw/zinc/25/27/14/775252714.db2.gz INZAMERMXOCIFG-RVMXOQNASA-N 1 1 306.370 -1.166 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCO)C2 ZINC001111988318 775254507 /nfs/dbraw/zinc/25/45/07/775254507.db2.gz BQHVZLXCOFWGSA-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO CN(CCN1CC[NH+](CCn2cncn2)CC1)C(=O)C(N)=O ZINC001267612716 775255723 /nfs/dbraw/zinc/25/57/23/775255723.db2.gz VREPDJJUSSYRNN-UHFFFAOYSA-N 1 1 309.374 -2.161 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001267626634 775258256 /nfs/dbraw/zinc/25/82/56/775258256.db2.gz XJRMKBWVECHAGM-GFCCVEGCSA-N 1 1 312.374 -1.538 20 0 DAADMO O=C(Cn1ncnn1)NC1C[NH+](CCCCCn2cncn2)C1 ZINC001267647823 775260397 /nfs/dbraw/zinc/26/03/97/775260397.db2.gz WANMREBSBMABMV-UHFFFAOYSA-N 1 1 319.373 -1.065 20 0 DAADMO COCCC[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267651386 775262250 /nfs/dbraw/zinc/26/22/50/775262250.db2.gz XQHCALCGFKWPQA-UHFFFAOYSA-N 1 1 300.359 -1.924 20 0 DAADMO COCCOC[C@H](O)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267655287 775262326 /nfs/dbraw/zinc/26/23/26/775262326.db2.gz PKTIKJRITDUOFU-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCCC[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001267668949 775265344 /nfs/dbraw/zinc/26/53/44/775265344.db2.gz CIISKDUZEYXRJH-LLVKDONJSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(Cc1c[nH]cn1)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267694018 775266484 /nfs/dbraw/zinc/26/64/84/775266484.db2.gz YFNOOUMBNGFAGU-NSHDSACASA-N 1 1 305.338 -1.195 20 0 DAADMO CNC(=O)C1(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001267694978 775267379 /nfs/dbraw/zinc/26/73/79/775267379.db2.gz WDEHDKIEYGKFSU-LLVKDONJSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267702761 775268098 /nfs/dbraw/zinc/26/80/98/775268098.db2.gz MTHFWKRPJVGMDH-AVGNSLFASA-N 1 1 300.355 -1.304 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267702761 775268107 /nfs/dbraw/zinc/26/81/07/775268107.db2.gz MTHFWKRPJVGMDH-AVGNSLFASA-N 1 1 300.355 -1.304 20 0 DAADMO CC(C)(C)C(=O)C(=O)NC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC001283746441 775268564 /nfs/dbraw/zinc/26/85/64/775268564.db2.gz NJMSERQQLQAXQW-SECBINFHSA-N 1 1 308.400 -1.287 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267703038 775268957 /nfs/dbraw/zinc/26/89/57/775268957.db2.gz KTUZPEFKFJSMPC-VIFPVBQESA-N 1 1 311.342 -2.196 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCOC ZINC001267715577 775270660 /nfs/dbraw/zinc/27/06/60/775270660.db2.gz BDSZCMGUGVTVCJ-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001267722030 775271365 /nfs/dbraw/zinc/27/13/65/775271365.db2.gz UGJDFLREXBCWDS-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267726659 775271443 /nfs/dbraw/zinc/27/14/43/775271443.db2.gz SSWLBUVATGAQJP-LBPRGKRZSA-N 1 1 314.386 -1.399 20 0 DAADMO COc1ccc(OC)c(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001143503027 775271655 /nfs/dbraw/zinc/27/16/55/775271655.db2.gz ZMTQKWLZSNRTNV-QLFBSQMISA-N 1 1 321.381 -1.235 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)n1 ZINC001267754124 775275495 /nfs/dbraw/zinc/27/54/95/775275495.db2.gz VZQKBRUSUBSNPA-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267745371 775275959 /nfs/dbraw/zinc/27/59/59/775275959.db2.gz NZIPXTNGFYYBGC-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267741238 775276231 /nfs/dbraw/zinc/27/62/31/775276231.db2.gz OONXMVNBZMZYRS-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267745918 775276484 /nfs/dbraw/zinc/27/64/84/775276484.db2.gz KNMCVFMUKRRAAE-MRVPVSSYSA-N 1 1 313.358 -1.775 20 0 DAADMO COCCC[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267778865 775280982 /nfs/dbraw/zinc/28/09/82/775280982.db2.gz IQOWCKBXNDJIOP-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001267828889 775284636 /nfs/dbraw/zinc/28/46/36/775284636.db2.gz IUHQVKCXFUBCRW-JTQLQIEISA-N 1 1 322.369 -1.052 20 0 DAADMO O=C(CN1CCOCC1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001125903804 775284875 /nfs/dbraw/zinc/28/48/75/775284875.db2.gz SYBFYQFGSJQNRL-UHFFFAOYSA-N 1 1 309.374 -1.454 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@H]2C(N)=O)[nH]1 ZINC001279791494 775286254 /nfs/dbraw/zinc/28/62/54/775286254.db2.gz HGPOTYCDJUUJFD-GHMZBOCLSA-N 1 1 324.385 -1.465 20 0 DAADMO Cn1nncc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105225248 775292164 /nfs/dbraw/zinc/29/21/64/775292164.db2.gz NKNFMXDLJTWCDY-UHFFFAOYSA-N 1 1 306.330 -1.814 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001105225124 775292908 /nfs/dbraw/zinc/29/29/08/775292908.db2.gz JWSPHENZZULHCL-LLVKDONJSA-N 1 1 324.341 -1.494 20 0 DAADMO Cn1cnc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105230197 775294220 /nfs/dbraw/zinc/29/42/20/775294220.db2.gz AEWBYGWCVCMXLK-UHFFFAOYSA-N 1 1 306.330 -1.814 20 0 DAADMO CCn1nncc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105230738 775294621 /nfs/dbraw/zinc/29/46/21/775294621.db2.gz VSLGUWFIBPXGMB-UHFFFAOYSA-N 1 1 320.357 -1.332 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001267919277 775294964 /nfs/dbraw/zinc/29/49/64/775294964.db2.gz AJFWPLUPZMTXSJ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001267919277 775294971 /nfs/dbraw/zinc/29/49/71/775294971.db2.gz AJFWPLUPZMTXSJ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001105227683 775295811 /nfs/dbraw/zinc/29/58/11/775295811.db2.gz TZDWDJQTEHYGDT-UHFFFAOYSA-N 1 1 320.357 -1.160 20 0 DAADMO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CNC(=O)C1 ZINC001105289777 775299136 /nfs/dbraw/zinc/29/91/36/775299136.db2.gz JDCMYRYNVINTMW-AWEZNQCLSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105275057 775299483 /nfs/dbraw/zinc/29/94/83/775299483.db2.gz AAGFWHDSMUFXBZ-JTQLQIEISA-N 1 1 322.369 -1.731 20 0 DAADMO Cn1cncc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105276459 775301043 /nfs/dbraw/zinc/30/10/43/775301043.db2.gz JKMSYZOEDDPAJJ-UHFFFAOYSA-N 1 1 305.342 -1.209 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105301431 775301985 /nfs/dbraw/zinc/30/19/85/775301985.db2.gz PHGABCHCZAWRPE-VXGBXAGGSA-N 1 1 322.369 -1.745 20 0 DAADMO O=C(c1csnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105295106 775302109 /nfs/dbraw/zinc/30/21/09/775302109.db2.gz ZAJQXUCVWRWXDN-UHFFFAOYSA-N 1 1 309.355 -1.091 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105300974 775303324 /nfs/dbraw/zinc/30/33/24/775303324.db2.gz GXOCLDIYBHBQTL-VIFPVBQESA-N 1 1 310.358 -1.745 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001267971096 775304271 /nfs/dbraw/zinc/30/42/71/775304271.db2.gz ZFWBEHGHTOZUJB-GHMZBOCLSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001267971096 775304282 /nfs/dbraw/zinc/30/42/82/775304282.db2.gz ZFWBEHGHTOZUJB-GHMZBOCLSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1nnc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105303028 775304837 /nfs/dbraw/zinc/30/48/37/775304837.db2.gz AAEOMCSMCCJDCP-UHFFFAOYSA-N 1 1 307.318 -2.419 20 0 DAADMO O=C(c1n[nH]cc1F)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105322498 775306858 /nfs/dbraw/zinc/30/68/58/775306858.db2.gz SECAMKLVEUJRHZ-UHFFFAOYSA-N 1 1 309.305 -1.081 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105323923 775306880 /nfs/dbraw/zinc/30/68/80/775306880.db2.gz KMQJPSLRDNLCIJ-GFCCVEGCSA-N 1 1 313.358 -1.595 20 0 DAADMO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCOC3CCC3)nn2)C1 ZINC001105315590 775307104 /nfs/dbraw/zinc/30/71/04/775307104.db2.gz VIFUYRCMMHLKBC-UHFFFAOYSA-N 1 1 322.369 -1.195 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981684 775309245 /nfs/dbraw/zinc/30/92/45/775309245.db2.gz QNOPGGHKYZSOHL-NEPJUHHUSA-N 1 1 320.459 -1.028 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114945506 775313226 /nfs/dbraw/zinc/31/32/26/775313226.db2.gz PRTRMJFDVQXKAP-YABSGUDNSA-N 1 1 306.370 -1.160 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114945506 775313238 /nfs/dbraw/zinc/31/32/38/775313238.db2.gz PRTRMJFDVQXKAP-YABSGUDNSA-N 1 1 306.370 -1.160 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125957059 775313732 /nfs/dbraw/zinc/31/37/32/775313732.db2.gz TUECJJRSIOYSOJ-NSHDSACASA-N 1 1 311.390 -1.210 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114945625 775314441 /nfs/dbraw/zinc/31/44/41/775314441.db2.gz RRBQZPVQLCGRHI-HBYGRHMLSA-N 1 1 310.398 -1.011 20 0 DAADMO COCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994796 775320428 /nfs/dbraw/zinc/32/04/28/775320428.db2.gz SXYUKCRBZLEKDR-IWIIMEHWSA-N 1 1 323.353 -1.118 20 0 DAADMO COCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994796 775320437 /nfs/dbraw/zinc/32/04/37/775320437.db2.gz SXYUKCRBZLEKDR-IWIIMEHWSA-N 1 1 323.353 -1.118 20 0 DAADMO COCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001268023780 775321609 /nfs/dbraw/zinc/32/16/09/775321609.db2.gz QEJRCVIMHBLRHG-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001268023780 775321626 /nfs/dbraw/zinc/32/16/26/775321626.db2.gz QEJRCVIMHBLRHG-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001268024226 775323267 /nfs/dbraw/zinc/32/32/67/775323267.db2.gz AMJFOBGFGCWMNY-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001268024226 775323279 /nfs/dbraw/zinc/32/32/79/775323279.db2.gz AMJFOBGFGCWMNY-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+](CCCO[C@H]2CCOC2)CCO1 ZINC001268026085 775323919 /nfs/dbraw/zinc/32/39/19/775323919.db2.gz HAPLKVZXVHCLJL-RYUDHWBXSA-N 1 1 315.370 -1.516 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCCO[C@H]2CCOC2)CCO1 ZINC001268026085 775323929 /nfs/dbraw/zinc/32/39/29/775323929.db2.gz HAPLKVZXVHCLJL-RYUDHWBXSA-N 1 1 315.370 -1.516 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)CCO1 ZINC001268026083 775325060 /nfs/dbraw/zinc/32/50/60/775325060.db2.gz HAPLKVZXVHCLJL-NWDGAFQWSA-N 1 1 315.370 -1.516 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)CCO1 ZINC001268026083 775325067 /nfs/dbraw/zinc/32/50/67/775325067.db2.gz HAPLKVZXVHCLJL-NWDGAFQWSA-N 1 1 315.370 -1.516 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980591 775332043 /nfs/dbraw/zinc/33/20/43/775332043.db2.gz UTCDMROBCGDUIW-VIKVFOODSA-N 1 1 324.425 -1.157 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105340603 775333025 /nfs/dbraw/zinc/33/30/25/775333025.db2.gz HHKKEGYGUFDTFK-UHFFFAOYSA-N 1 1 310.358 -1.778 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3nc[nH]n3)C2)nn1 ZINC001105343999 775336904 /nfs/dbraw/zinc/33/69/04/775336904.db2.gz HGBYIFYCFRZWRX-UHFFFAOYSA-N 1 1 306.330 -1.171 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098631287 775337605 /nfs/dbraw/zinc/33/76/05/775337605.db2.gz TZHRFZOAMMVMEY-ZJUUUORDSA-N 1 1 312.370 -1.573 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001149136653 775339978 /nfs/dbraw/zinc/33/99/78/775339978.db2.gz JLIBXTNQUIONBK-LBPRGKRZSA-N 1 1 324.385 -1.242 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2ncnn2CCF)C1 ZINC001126287348 775340082 /nfs/dbraw/zinc/34/00/82/775340082.db2.gz GZYDSJMYHGGCQX-UHFFFAOYSA-N 1 1 312.349 -1.068 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105354182 775344155 /nfs/dbraw/zinc/34/41/55/775344155.db2.gz DOCUPGDAQRCPPL-UHFFFAOYSA-N 1 1 322.369 -1.731 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114941433 775349746 /nfs/dbraw/zinc/34/97/46/775349746.db2.gz BYMSICSZLQFHIA-MYJAWHEDSA-N 1 1 305.400 -1.647 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O ZINC001114956040 775351886 /nfs/dbraw/zinc/35/18/86/775351886.db2.gz AHIATQDEIFDRQU-PJXYFTJBSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O ZINC001114956040 775351893 /nfs/dbraw/zinc/35/18/93/775351893.db2.gz AHIATQDEIFDRQU-PJXYFTJBSA-N 1 1 310.398 -1.059 20 0 DAADMO COc1nc(NC(=N)NCCCC[NH3+])nc(N2CCOCC2)n1 ZINC001167881269 775352004 /nfs/dbraw/zinc/35/20/04/775352004.db2.gz ZHAMNXREQMJAGJ-UHFFFAOYSA-N 1 1 324.389 -1.186 20 0 DAADMO COCCC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001268236871 775352098 /nfs/dbraw/zinc/35/20/98/775352098.db2.gz RYFHTPCZBAWTIL-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001268231582 775352452 /nfs/dbraw/zinc/35/24/52/775352452.db2.gz ALJPJNRJVKBVDX-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001268231582 775352460 /nfs/dbraw/zinc/35/24/60/775352460.db2.gz ALJPJNRJVKBVDX-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)c1nccnc1N ZINC001268233531 775352609 /nfs/dbraw/zinc/35/26/09/775352609.db2.gz PPXQQFNVTAHAON-SECBINFHSA-N 1 1 320.353 -1.132 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)c1nccnc1N ZINC001268233531 775352616 /nfs/dbraw/zinc/35/26/16/775352616.db2.gz PPXQQFNVTAHAON-SECBINFHSA-N 1 1 320.353 -1.132 20 0 DAADMO CN(CC[N@@H+](C)CCCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001268234403 775353849 /nfs/dbraw/zinc/35/38/49/775353849.db2.gz WUMXOIFLVJMJFH-UHFFFAOYSA-N 1 1 313.358 -1.806 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268259877 775354145 /nfs/dbraw/zinc/35/41/45/775354145.db2.gz PSSCJILVZWZJAA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268259877 775354156 /nfs/dbraw/zinc/35/41/56/775354156.db2.gz PSSCJILVZWZJAA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268259876 775354515 /nfs/dbraw/zinc/35/45/15/775354515.db2.gz PSSCJILVZWZJAA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268259876 775354532 /nfs/dbraw/zinc/35/45/32/775354532.db2.gz PSSCJILVZWZJAA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001268294973 775356436 /nfs/dbraw/zinc/35/64/36/775356436.db2.gz JWLIGBQQESXYDN-LBPRGKRZSA-N 1 1 306.326 -1.671 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CCn2cccn2)n[nH]1 ZINC001268303865 775361690 /nfs/dbraw/zinc/36/16/90/775361690.db2.gz DXLSKUSGODEXJC-LLVKDONJSA-N 1 1 307.358 -1.381 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001268305113 775363729 /nfs/dbraw/zinc/36/37/29/775363729.db2.gz QCSUYGUSOVSAIR-VIFPVBQESA-N 1 1 319.387 -2.233 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001268311179 775364560 /nfs/dbraw/zinc/36/45/60/775364560.db2.gz GQHHWMUXZUDWPQ-SNVBAGLBSA-N 1 1 312.374 -1.624 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001268311186 775365385 /nfs/dbraw/zinc/36/53/85/775365385.db2.gz GTCMAWHKKLDZSA-SECBINFHSA-N 1 1 312.374 -1.624 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F)no1 ZINC001268315621 775366490 /nfs/dbraw/zinc/36/64/90/775366490.db2.gz PFSHXBKWHGVBBM-VIFPVBQESA-N 1 1 320.296 -1.069 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001268314500 775367098 /nfs/dbraw/zinc/36/70/98/775367098.db2.gz JNNKXFLLDQDWDD-SSDOTTSWSA-N 1 1 321.284 -1.674 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC2CC2)nn1 ZINC001268324926 775369729 /nfs/dbraw/zinc/36/97/29/775369729.db2.gz AYLMIVSWQPUEAV-LLVKDONJSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001268326293 775372448 /nfs/dbraw/zinc/37/24/48/775372448.db2.gz FAUAWCPIGSUJKI-LLVKDONJSA-N 1 1 322.373 -1.678 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)CC1 ZINC001268327400 775373083 /nfs/dbraw/zinc/37/30/83/775373083.db2.gz ISMAPGNRRYYTBC-VIFPVBQESA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001268336544 775375936 /nfs/dbraw/zinc/37/59/36/775375936.db2.gz FAAYCELGVMSZFB-WCBMZHEXSA-N 1 1 324.341 -2.565 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)C(=O)NCC(F)F ZINC001268377853 775379882 /nfs/dbraw/zinc/37/98/82/775379882.db2.gz OQWPWXIONBGQMO-ZETCQYMHSA-N 1 1 319.316 -1.424 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001268389355 775380353 /nfs/dbraw/zinc/38/03/53/775380353.db2.gz LZMWEMODRZGLNA-SNVBAGLBSA-N 1 1 324.389 -2.374 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001268389354 775380593 /nfs/dbraw/zinc/38/05/93/775380593.db2.gz LZMWEMODRZGLNA-JTQLQIEISA-N 1 1 324.389 -2.374 20 0 DAADMO C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001268410160 775382746 /nfs/dbraw/zinc/38/27/46/775382746.db2.gz XORGANDXKVFOMC-SECBINFHSA-N 1 1 323.357 -1.155 20 0 DAADMO C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001268410160 775382757 /nfs/dbraw/zinc/38/27/57/775382757.db2.gz XORGANDXKVFOMC-SECBINFHSA-N 1 1 323.357 -1.155 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)Cc1nnc(C)[nH]1 ZINC001268450010 775383625 /nfs/dbraw/zinc/38/36/25/775383625.db2.gz MSZLEPIYYIZJQO-UHFFFAOYSA-N 1 1 307.362 -1.183 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@H]1C(=O)OC ZINC001161239247 775383969 /nfs/dbraw/zinc/38/39/69/775383969.db2.gz YMCFAQRJWMFALB-UWVGGRQHSA-N 1 1 301.343 -1.418 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(C)C[C@@H]1C(=O)OC ZINC001161239248 775384038 /nfs/dbraw/zinc/38/40/38/775384038.db2.gz YMCFAQRJWMFALB-VHSXEESVSA-N 1 1 301.343 -1.418 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(N[C@H]3C[C@H]4C[C@H]4C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001167911010 775384972 /nfs/dbraw/zinc/38/49/72/775384972.db2.gz YYKCFVQTFQJUHO-XHOXZYDQSA-N 1 1 322.365 -1.134 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 ZINC001105363176 775386775 /nfs/dbraw/zinc/38/67/75/775386775.db2.gz SHHNXNDZSBJNQE-LBPRGKRZSA-N 1 1 322.369 -1.324 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105365545 775387461 /nfs/dbraw/zinc/38/74/61/775387461.db2.gz ZPQQLVAJNJGOOR-NSHDSACASA-N 1 1 308.342 -1.978 20 0 DAADMO CCN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)Cc1ncn[nH]1 ZINC001268490223 775390312 /nfs/dbraw/zinc/39/03/12/775390312.db2.gz FNCFFMAYRCLRKU-UHFFFAOYSA-N 1 1 322.369 -1.066 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(C)=O ZINC001211782269 775391768 /nfs/dbraw/zinc/39/17/68/775391768.db2.gz UIBDKLASRHMFQW-YUSALJHKSA-N 1 1 314.386 -1.585 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(C)=O ZINC001211782269 775391772 /nfs/dbraw/zinc/39/17/72/775391772.db2.gz UIBDKLASRHMFQW-YUSALJHKSA-N 1 1 314.386 -1.585 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001211798168 775393236 /nfs/dbraw/zinc/39/32/36/775393236.db2.gz YCVWWYKXAWJQMR-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001211798168 775393242 /nfs/dbraw/zinc/39/32/42/775393242.db2.gz YCVWWYKXAWJQMR-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H](OC)C1 ZINC001211776954 775393251 /nfs/dbraw/zinc/39/32/51/775393251.db2.gz XJXDNLNHEUEJDA-CYZMBNFOSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CNC(C)=O ZINC001211776943 775393288 /nfs/dbraw/zinc/39/32/88/775393288.db2.gz WXBKSOXFBZRHNV-VXGBXAGGSA-N 1 1 303.359 -2.053 20 0 DAADMO Cn1nccc1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268526057 775395008 /nfs/dbraw/zinc/39/50/08/775395008.db2.gz UTMUGQSJOZQFPA-ARJAWSKDSA-N 1 1 305.342 -1.082 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211809453 775395229 /nfs/dbraw/zinc/39/52/29/775395229.db2.gz CMRDVUZILZGLSX-RAIGVLPGSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814191 775395601 /nfs/dbraw/zinc/39/56/01/775395601.db2.gz WFSNCZOURZZRMF-CYZMBNFOSA-N 1 1 324.385 -1.382 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814191 775395611 /nfs/dbraw/zinc/39/56/11/775395611.db2.gz WFSNCZOURZZRMF-CYZMBNFOSA-N 1 1 324.385 -1.382 20 0 DAADMO Cn1ccc(CC(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001268541453 775396368 /nfs/dbraw/zinc/39/63/68/775396368.db2.gz KAJIZLHOBOHPHO-ONEGZZNKSA-N 1 1 319.369 -1.153 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H](OC)C1 ZINC001211825421 775402153 /nfs/dbraw/zinc/40/21/53/775402153.db2.gz MTQOJXIRHMMNBE-JHJVBQTASA-N 1 1 312.370 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001211823469 775402789 /nfs/dbraw/zinc/40/27/89/775402789.db2.gz ZUZHDQPGCGMUCF-QJPTWQEYSA-N 1 1 312.374 -1.351 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211825420 775402956 /nfs/dbraw/zinc/40/29/56/775402956.db2.gz MSVHIZGCWXUHKV-GHMZBOCLSA-N 1 1 302.375 -1.105 20 0 DAADMO O=C(Cc1cnc[nH]1)NC/C=C/C[NH2+]CCN1C(=O)CNC1=O ZINC001268596252 775406056 /nfs/dbraw/zinc/40/60/56/775406056.db2.gz IIKNZSXDEWMEFP-OWOJBTEDSA-N 1 1 320.353 -1.234 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCCO)nn3)C2)C1 ZINC001105372834 775406479 /nfs/dbraw/zinc/40/64/79/775406479.db2.gz ZIGOUTTUEICABE-LLVKDONJSA-N 1 1 308.386 -1.305 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C\CNC(=O)CN1C(=O)CCC1=O ZINC001268622956 775408481 /nfs/dbraw/zinc/40/84/81/775408481.db2.gz HSFIBEMLZXDIFE-IHWYPQMZSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2ncn[nH]2)CCO1 ZINC001268607573 775408595 /nfs/dbraw/zinc/40/85/95/775408595.db2.gz SGZIEIYNPSHOSR-KXMPLOMGSA-N 1 1 322.369 -1.072 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2nc[nH]n2)CCO1 ZINC001268607573 775408597 /nfs/dbraw/zinc/40/85/97/775408597.db2.gz SGZIEIYNPSHOSR-KXMPLOMGSA-N 1 1 322.369 -1.072 20 0 DAADMO CC[C@@]1(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)CCNC1=O ZINC001268650009 775412115 /nfs/dbraw/zinc/41/21/15/775412115.db2.gz WHXLOUXSEWABNL-NOZJJQNGSA-N 1 1 309.374 -1.279 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648440 775413269 /nfs/dbraw/zinc/41/32/69/775413269.db2.gz ITYBARKTHROQSL-BDAKNGLRSA-N 1 1 323.357 -1.510 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[NH2+][C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001268689088 775415889 /nfs/dbraw/zinc/41/58/89/775415889.db2.gz RCEZMJIOGSCRSX-CBAPKCEASA-N 1 1 308.342 -1.445 20 0 DAADMO C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cc1cnc[nH]1 ZINC001268706000 775416732 /nfs/dbraw/zinc/41/67/32/775416732.db2.gz QJSQMKYGUGQNAH-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)nn1 ZINC001268718242 775417695 /nfs/dbraw/zinc/41/76/95/775417695.db2.gz AWJIYBLDVOGZCC-UWVGGRQHSA-N 1 1 322.369 -1.055 20 0 DAADMO COCC(=O)N[C@H](C)C[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001268719307 775417874 /nfs/dbraw/zinc/41/78/74/775417874.db2.gz ZLIJLWAHQKISSA-GHMZBOCLSA-N 1 1 315.370 -1.421 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)CN2C(=O)CNC2=O)n1 ZINC001268714867 775417937 /nfs/dbraw/zinc/41/79/37/775417937.db2.gz QTUAXJPQMMSHMQ-JTQLQIEISA-N 1 1 320.353 -1.069 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001268719285 775418719 /nfs/dbraw/zinc/41/87/19/775418719.db2.gz YTLIAKOGDSWZFN-UWVGGRQHSA-N 1 1 322.369 -1.055 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001268719286 775418756 /nfs/dbraw/zinc/41/87/56/775418756.db2.gz YTLIAKOGDSWZFN-VHSXEESVSA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001268720956 775418840 /nfs/dbraw/zinc/41/88/40/775418840.db2.gz PBXSRAZPFJYFAH-DTWKUNHWSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@H](C[N@@H+](C)CCOCCO)NC(=O)[C@@]1(C)CCNC1=O ZINC001268746879 775419538 /nfs/dbraw/zinc/41/95/38/775419538.db2.gz OFBVGDJAVXCLAG-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001268744210 775420165 /nfs/dbraw/zinc/42/01/65/775420165.db2.gz SRJCVYWRFKUMRT-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001268744210 775420170 /nfs/dbraw/zinc/42/01/70/775420170.db2.gz SRJCVYWRFKUMRT-RKDXNWHRSA-N 1 1 313.358 -1.904 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001268736485 775420404 /nfs/dbraw/zinc/42/04/04/775420404.db2.gz TXMMOEZOPDUFRK-IUCAKERBSA-N 1 1 311.329 -1.189 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268744209 775420485 /nfs/dbraw/zinc/42/04/85/775420485.db2.gz SRJCVYWRFKUMRT-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268744209 775420487 /nfs/dbraw/zinc/42/04/87/775420487.db2.gz SRJCVYWRFKUMRT-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268745349 775420712 /nfs/dbraw/zinc/42/07/12/775420712.db2.gz HPTJSDUXZHOJLS-NXEZZACHSA-N 1 1 302.375 -1.551 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268745349 775420719 /nfs/dbraw/zinc/42/07/19/775420719.db2.gz HPTJSDUXZHOJLS-NXEZZACHSA-N 1 1 302.375 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)CCOCCO)NC(=O)[C@@]1(C)CCNC1=O ZINC001268746878 775420826 /nfs/dbraw/zinc/42/08/26/775420826.db2.gz OFBVGDJAVXCLAG-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001268741557 775420982 /nfs/dbraw/zinc/42/09/82/775420982.db2.gz UFSWVACSMBDLEQ-BDAKNGLRSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)Cn1ccnc1 ZINC001268759497 775423046 /nfs/dbraw/zinc/42/30/46/775423046.db2.gz LWIUQKOXQUQEKT-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001268850027 775425163 /nfs/dbraw/zinc/42/51/63/775425163.db2.gz ODGMDAOIMAUEPV-MRVPVSSYSA-N 1 1 320.340 -1.108 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001268849781 775425421 /nfs/dbraw/zinc/42/54/21/775425421.db2.gz HJDRBFDSMOMVMO-MRVPVSSYSA-N 1 1 306.313 -1.320 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001268849782 775426110 /nfs/dbraw/zinc/42/61/10/775426110.db2.gz HJDRBFDSMOMVMO-QMMMGPOBSA-N 1 1 306.313 -1.320 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001268905458 775428216 /nfs/dbraw/zinc/42/82/16/775428216.db2.gz BKWAPURVNOTWAL-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001268922686 775430521 /nfs/dbraw/zinc/43/05/21/775430521.db2.gz SLUVQFIMHGSFAS-MWLCHTKSSA-N 1 1 324.381 -1.436 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)NCC1CC1 ZINC001268973851 775432420 /nfs/dbraw/zinc/43/24/20/775432420.db2.gz GEIAUMJLFXGWBO-AVGNSLFASA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)NCC1CC1 ZINC001268973851 775432425 /nfs/dbraw/zinc/43/24/25/775432425.db2.gz GEIAUMJLFXGWBO-AVGNSLFASA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)COC)CC1 ZINC001268974516 775432497 /nfs/dbraw/zinc/43/24/97/775432497.db2.gz URYPBTUHIAYLCY-SDDRHHMPSA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)/C=C/C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001268986799 775433187 /nfs/dbraw/zinc/43/31/87/775433187.db2.gz DKRWXTGHMMHIFV-SNAWJCMRSA-N 1 1 308.382 -1.089 20 0 DAADMO CNC(=O)/C=C/C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001268987359 775433211 /nfs/dbraw/zinc/43/32/11/775433211.db2.gz QPBVTOFDZWQZHX-BLDJZWNYSA-N 1 1 320.393 -1.043 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001269085252 775440500 /nfs/dbraw/zinc/44/05/00/775440500.db2.gz YITMUGQORXPAAL-LBPRGKRZSA-N 1 1 309.366 -1.081 20 0 DAADMO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001269090446 775441239 /nfs/dbraw/zinc/44/12/39/775441239.db2.gz XRKHOKUFQFQHRH-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001269090446 775441249 /nfs/dbraw/zinc/44/12/49/775441249.db2.gz XRKHOKUFQFQHRH-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001269227717 775449646 /nfs/dbraw/zinc/44/96/46/775449646.db2.gz QOFHVQSBPWBSRO-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001269227717 775449651 /nfs/dbraw/zinc/44/96/51/775449651.db2.gz QOFHVQSBPWBSRO-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001269311985 775456260 /nfs/dbraw/zinc/45/62/60/775456260.db2.gz BDTYUHFCFDXOFQ-FBDQPXRJSA-N 1 1 302.327 -3.065 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H](C1)O2 ZINC001269302295 775456288 /nfs/dbraw/zinc/45/62/88/775456288.db2.gz PTKPYPVDMAHCJV-XIXNAZORSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H](C1)O2 ZINC001269302295 775456295 /nfs/dbraw/zinc/45/62/95/775456295.db2.gz PTKPYPVDMAHCJV-XIXNAZORSA-N 1 1 318.326 -3.672 20 0 DAADMO Cn1nnc2c(C(=O)N3CC4(C3)CC[N@@H+](C)C4)ncn2c1=O ZINC001269291501 775456392 /nfs/dbraw/zinc/45/63/92/775456392.db2.gz OGLIBIBSRDMKRX-UHFFFAOYSA-N 1 1 303.326 -1.399 20 0 DAADMO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269312112 775456499 /nfs/dbraw/zinc/45/64/99/775456499.db2.gz CJIVHBYBJIVQNM-RCZSTQMZSA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269312112 775456502 /nfs/dbraw/zinc/45/65/02/775456502.db2.gz CJIVHBYBJIVQNM-RCZSTQMZSA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301880 775456755 /nfs/dbraw/zinc/45/67/55/775456755.db2.gz IPOOVEYGTINDCS-XIXNAZORSA-N 1 1 302.327 -2.909 20 0 DAADMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301880 775456760 /nfs/dbraw/zinc/45/67/60/775456760.db2.gz IPOOVEYGTINDCS-XIXNAZORSA-N 1 1 302.327 -2.909 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2)C1 ZINC001269312122 775457198 /nfs/dbraw/zinc/45/71/98/775457198.db2.gz CSNIOXYXWDPOCW-IVZWLZJFSA-N 1 1 302.327 -3.205 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H]2C1 ZINC001269312492 775457843 /nfs/dbraw/zinc/45/78/43/775457843.db2.gz FWONSTZCSHUDPD-UNQZSWDGSA-N 1 1 302.327 -3.207 20 0 DAADMO C[NH+]1CC2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269313038 775458119 /nfs/dbraw/zinc/45/81/19/775458119.db2.gz NPGFVVCMZFYRRS-OUAUKWLOSA-N 1 1 316.354 -2.815 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]2C1 ZINC001269312493 775458295 /nfs/dbraw/zinc/45/82/95/775458295.db2.gz FWONSTZCSHUDPD-VPJKUYQRSA-N 1 1 302.327 -3.207 20 0 DAADMO C[NH+]1CC2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269313035 775458352 /nfs/dbraw/zinc/45/83/52/775458352.db2.gz NPGFVVCMZFYRRS-GARJFASQSA-N 1 1 316.354 -2.815 20 0 DAADMO CCN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001269314365 775458791 /nfs/dbraw/zinc/45/87/91/775458791.db2.gz SRTNAVUSNKHTEX-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCOCCO)C1CC(=O)NC(=O)C1 ZINC001269321578 775459890 /nfs/dbraw/zinc/45/98/90/775459890.db2.gz YRECNAGDLWNQBF-LLVKDONJSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCOCCO)C1CC(=O)NC(=O)C1 ZINC001269321578 775459903 /nfs/dbraw/zinc/45/99/03/775459903.db2.gz YRECNAGDLWNQBF-LLVKDONJSA-N 1 1 313.354 -1.761 20 0 DAADMO CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NCc1cnc[nH]1)C(N)=[NH2+] ZINC001269347448 775461910 /nfs/dbraw/zinc/46/19/10/775461910.db2.gz CHLUWXMGIJGVNG-OTYXRUKQSA-N 1 1 319.369 -1.158 20 0 DAADMO CN(CC(=O)N1C[C@H]2C[C@@]2(C(=O)NCc2cnc[nH]2)C1)C(N)=[NH2+] ZINC001269349791 775462081 /nfs/dbraw/zinc/46/20/81/775462081.db2.gz YIBPCQGCUJEKEY-YMTOWFKASA-N 1 1 319.369 -1.300 20 0 DAADMO CN(CC(=O)NC12CC(C(=O)NCc3cnc[nH]3)(C1)C2)C(N)=[NH2+] ZINC001269347477 775463740 /nfs/dbraw/zinc/46/37/40/775463740.db2.gz DAMXSOFIBBUVRV-UHFFFAOYSA-N 1 1 319.369 -1.110 20 0 DAADMO CCOCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284506790 775464829 /nfs/dbraw/zinc/46/48/29/775464829.db2.gz WJLNKZHRRLAKJA-NEPJUHHUSA-N 1 1 316.402 -1.202 20 0 DAADMO CCOCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284506798 775464993 /nfs/dbraw/zinc/46/49/93/775464993.db2.gz WJLNKZHRRLAKJA-VXGBXAGGSA-N 1 1 316.402 -1.202 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000983199893 775466115 /nfs/dbraw/zinc/46/61/15/775466115.db2.gz SOLHXVIUAUKLNS-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO CCNC(=O)CC(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284515041 775466200 /nfs/dbraw/zinc/46/62/00/775466200.db2.gz PAAIYIWLEGDPGY-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)CC(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284515041 775466205 /nfs/dbraw/zinc/46/62/05/775466205.db2.gz PAAIYIWLEGDPGY-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284510772 775466221 /nfs/dbraw/zinc/46/62/21/775466221.db2.gz ZYVXBTGQPWPVGL-SECBINFHSA-N 1 1 300.359 -2.251 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284510772 775466229 /nfs/dbraw/zinc/46/62/29/775466229.db2.gz ZYVXBTGQPWPVGL-SECBINFHSA-N 1 1 300.359 -2.251 20 0 DAADMO NC(=O)[C@H]1CCSC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618759 775473030 /nfs/dbraw/zinc/47/30/30/775473030.db2.gz URMCSENTIQGZST-SNVBAGLBSA-N 1 1 317.411 -1.908 20 0 DAADMO NC(=O)C1=NO[C@@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]12 ZINC001269618230 775473464 /nfs/dbraw/zinc/47/34/64/775473464.db2.gz KQZYAXOWPIYFDN-DTWKUNHWSA-N 1 1 300.315 -3.029 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001269887126 775479541 /nfs/dbraw/zinc/47/95/41/775479541.db2.gz UFPZQMMCVUBSEX-LLVKDONJSA-N 1 1 313.354 -1.715 20 0 DAADMO C[NH+](C)CCN1C[C@@H]2CN(C(=O)Cc3nn[nH]n3)C[C@H](C1)O2 ZINC001270183429 775486243 /nfs/dbraw/zinc/48/62/43/775486243.db2.gz WBTBSZPEPIPHNO-PHIMTYICSA-N 1 1 309.374 -1.785 20 0 DAADMO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1nn[nH]n1 ZINC001270182914 775487252 /nfs/dbraw/zinc/48/72/52/775487252.db2.gz NWALFCKXIUOPAN-PHIMTYICSA-N 1 1 309.374 -1.785 20 0 DAADMO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nn[nH]n1 ZINC001270182910 775487275 /nfs/dbraw/zinc/48/72/75/775487275.db2.gz NTMMAPUMIPYMNG-FGWVZKOKSA-N 1 1 321.385 -1.058 20 0 DAADMO CN1C[C@@H](O)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001272273151 775488332 /nfs/dbraw/zinc/48/83/32/775488332.db2.gz HQWNWAXQXDTSBX-HEHGZKQESA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001270266459 775489110 /nfs/dbraw/zinc/48/91/10/775489110.db2.gz GYBHCOAISNTROA-SNVBAGLBSA-N 1 1 324.381 -1.244 20 0 DAADMO Cc1noc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001270428567 775493019 /nfs/dbraw/zinc/49/30/19/775493019.db2.gz ZZKGRCBWAQXTOV-APPZFPTMSA-N 1 1 324.341 -1.182 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)CC1 ZINC001270543328 775496274 /nfs/dbraw/zinc/49/62/74/775496274.db2.gz RNUJBFSTTLSRMT-SECBINFHSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@@]1(NC(=O)CN2CCOCC2)CC[N@@H+](CCOCCO)C1 ZINC001270577765 775497633 /nfs/dbraw/zinc/49/76/33/775497633.db2.gz SYRUTKJZPNSXFE-OAHLLOKOSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655265 775500434 /nfs/dbraw/zinc/50/04/34/775500434.db2.gz BXCNASNLULZDBU-XPTSAGLGSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655265 775500444 /nfs/dbraw/zinc/50/04/44/775500444.db2.gz BXCNASNLULZDBU-XPTSAGLGSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655264 775500629 /nfs/dbraw/zinc/50/06/29/775500629.db2.gz BXCNASNLULZDBU-OTYXRUKQSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655264 775500636 /nfs/dbraw/zinc/50/06/36/775500636.db2.gz BXCNASNLULZDBU-OTYXRUKQSA-N 1 1 310.354 -1.410 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1=O ZINC001270648017 775500903 /nfs/dbraw/zinc/50/09/03/775500903.db2.gz GJJXDUZJSMTQHI-AWEZNQCLSA-N 1 1 312.370 -1.157 20 0 DAADMO NC(=O)C1CC[NH+](C2CCN(C(=O)Cc3nn[nH]n3)CC2)CC1 ZINC001270788347 775508971 /nfs/dbraw/zinc/50/89/71/775508971.db2.gz FNNWQOQVRLGFQW-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698034 775513927 /nfs/dbraw/zinc/51/39/27/775513927.db2.gz OROZSHYQILELFD-RYUDHWBXSA-N 1 1 322.369 -1.731 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C[C@@]2(F)C1=O ZINC001270907538 775518821 /nfs/dbraw/zinc/51/88/21/775518821.db2.gz FKOOLOXRFHXVAJ-ZLKJLUDKSA-N 1 1 316.352 -1.037 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001270908093 775519051 /nfs/dbraw/zinc/51/90/51/775519051.db2.gz QTJLPBJMMISBPJ-CZUORRHYSA-N 1 1 324.425 -1.061 20 0 DAADMO CN1C[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)OCC1=O ZINC001270908607 775519168 /nfs/dbraw/zinc/51/91/68/775519168.db2.gz WMFBXOHDZSTZSU-IUODEOHRSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001270993165 775521339 /nfs/dbraw/zinc/52/13/39/775521339.db2.gz YJBLNZPPMUWSAK-DOMZBBRYSA-N 1 1 323.397 -1.052 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCn3cc(C(N)=O)nc3C2)CC1 ZINC001271001331 775522069 /nfs/dbraw/zinc/52/20/69/775522069.db2.gz YUDBBHIDESIFAS-UHFFFAOYSA-N 1 1 306.370 -1.428 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271055106 775526334 /nfs/dbraw/zinc/52/63/34/775526334.db2.gz NSCTXZWXTAEGJI-LBPRGKRZSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271055106 775526346 /nfs/dbraw/zinc/52/63/46/775526346.db2.gz NSCTXZWXTAEGJI-LBPRGKRZSA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@@H+](C)CC(=O)N1C[C@@H]2OCCN(CC(=O)N(C)C)[C@H]2C1 ZINC001271081910 775527128 /nfs/dbraw/zinc/52/71/28/775527128.db2.gz WHYVGUORLYBJAA-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@@]2(F)C1=O ZINC001271089901 775527747 /nfs/dbraw/zinc/52/77/47/775527747.db2.gz BIADJBTZFJEGCW-OASPWFOLSA-N 1 1 303.309 -1.216 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@@]2(F)C1=O ZINC001271089901 775527753 /nfs/dbraw/zinc/52/77/53/775527753.db2.gz BIADJBTZFJEGCW-OASPWFOLSA-N 1 1 303.309 -1.216 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001271090793 775529543 /nfs/dbraw/zinc/52/95/43/775529543.db2.gz RPKKFMODIUVUKS-BBRMVZONSA-N 1 1 323.393 -1.097 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C=C(C)C)C1 ZINC001271108340 775529579 /nfs/dbraw/zinc/52/95/79/775529579.db2.gz BDVOZCZAAMPFBY-AWEZNQCLSA-N 1 1 312.370 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C=C(C)C)C1 ZINC001271108340 775529582 /nfs/dbraw/zinc/52/95/82/775529582.db2.gz BDVOZCZAAMPFBY-AWEZNQCLSA-N 1 1 312.370 -1.039 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001271109936 775529797 /nfs/dbraw/zinc/52/97/97/775529797.db2.gz PIHUQSLGXHLRIG-BXUZGUMPSA-N 1 1 317.386 -1.927 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087571433 775531422 /nfs/dbraw/zinc/53/14/22/775531422.db2.gz SXCMXEAKMVPLCW-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130329 775533001 /nfs/dbraw/zinc/53/30/01/775533001.db2.gz CBJMVAQDBASVDD-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130329 775533005 /nfs/dbraw/zinc/53/30/05/775533005.db2.gz CBJMVAQDBASVDD-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC001087578404 775533378 /nfs/dbraw/zinc/53/33/78/775533378.db2.gz UEQRMDSLXDVQBS-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC001087578140 775533441 /nfs/dbraw/zinc/53/34/41/775533441.db2.gz CWLJOMXEEHBMNQ-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO COc1cncc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001271132455 775534337 /nfs/dbraw/zinc/53/43/37/775534337.db2.gz QXZIZLOYZPFLRB-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO COc1cncc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001271132455 775534339 /nfs/dbraw/zinc/53/43/39/775534339.db2.gz QXZIZLOYZPFLRB-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)nn1C ZINC001271132444 775534367 /nfs/dbraw/zinc/53/43/67/775534367.db2.gz QXHHNFHXWYATBV-AWEZNQCLSA-N 1 1 309.370 -1.343 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)nn1C ZINC001271132444 775534370 /nfs/dbraw/zinc/53/43/70/775534370.db2.gz QXHHNFHXWYATBV-AWEZNQCLSA-N 1 1 309.370 -1.343 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC001087606525 775534423 /nfs/dbraw/zinc/53/44/23/775534423.db2.gz BXQZOCPDNADUTE-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC001087606525 775534429 /nfs/dbraw/zinc/53/44/29/775534429.db2.gz BXQZOCPDNADUTE-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001087708050 775535512 /nfs/dbraw/zinc/53/55/12/775535512.db2.gz PJOFCMVHFRZBPA-SDDRHHMPSA-N 1 1 321.385 -1.071 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N(C)C ZINC001087707922 775535637 /nfs/dbraw/zinc/53/56/37/775535637.db2.gz MAKWAEBMDHXYFK-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1ccnc(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)n1 ZINC001271138018 775535862 /nfs/dbraw/zinc/53/58/62/775535862.db2.gz OMUCXEFWRGAJAR-OAHLLOKOSA-N 1 1 324.381 -1.039 20 0 DAADMO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001271133366 775536154 /nfs/dbraw/zinc/53/61/54/775536154.db2.gz ZKMDEBWHNJTWQI-AWEZNQCLSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087707579 775536360 /nfs/dbraw/zinc/53/63/60/775536360.db2.gz AVCRQCSKHXXCNC-SDDRHHMPSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@H](C)O ZINC001087764592 775537199 /nfs/dbraw/zinc/53/71/99/775537199.db2.gz XNWUBTUBRAFKLV-GARJFASQSA-N 1 1 312.370 -1.112 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(=O)NC ZINC001087761583 775537597 /nfs/dbraw/zinc/53/75/97/775537597.db2.gz AHZUMCKLIXSMIC-WDEREUQCSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(=O)NC ZINC001087761583 775537600 /nfs/dbraw/zinc/53/76/00/775537600.db2.gz AHZUMCKLIXSMIC-WDEREUQCSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@H+]1CCO ZINC001087759022 775538282 /nfs/dbraw/zinc/53/82/82/775538282.db2.gz YQVVKNLVWJLQEY-FMCALUSXSA-N 1 1 324.381 -1.064 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC001087833118 775540951 /nfs/dbraw/zinc/54/09/51/775540951.db2.gz LSEPSSPZJDVJBL-GARJFASQSA-N 1 1 305.400 -1.361 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1C[C@H](C)O ZINC001087821953 775541078 /nfs/dbraw/zinc/54/10/78/775541078.db2.gz OBZPGOSVBASEFH-GARJFASQSA-N 1 1 312.370 -1.112 20 0 DAADMO CCOCCC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001271152680 775541371 /nfs/dbraw/zinc/54/13/71/775541371.db2.gz NMLAEUIHHMDBGP-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1C[C@@H](C)O ZINC001087840674 775542694 /nfs/dbraw/zinc/54/26/94/775542694.db2.gz IRZYAVRIRPWORW-JFGNBEQYSA-N 1 1 324.385 -1.273 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC001087840660 775542756 /nfs/dbraw/zinc/54/27/56/775542756.db2.gz IJPJKWKJYVJEBS-GXSJLCMTSA-N 1 1 310.358 -1.662 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@@H+]1CC(N)=O ZINC001087849381 775542862 /nfs/dbraw/zinc/54/28/62/775542862.db2.gz WLDUTVWXQMSAEL-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC[N@H+]1CC(N)=O ZINC001087849381 775542870 /nfs/dbraw/zinc/54/28/70/775542870.db2.gz WLDUTVWXQMSAEL-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC001087840791 775543073 /nfs/dbraw/zinc/54/30/73/775543073.db2.gz OCETXLQETGFBKW-CMPLNLGQSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087878944 775545239 /nfs/dbraw/zinc/54/52/39/775545239.db2.gz VSBHCEPNTSYZML-GRYCIOLGSA-N 1 1 319.369 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941648 775546602 /nfs/dbraw/zinc/54/66/02/775546602.db2.gz MYCFENKYJHRUNA-MNOVXSKESA-N 1 1 322.369 -1.490 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)cc1=O ZINC001087948312 775547477 /nfs/dbraw/zinc/54/74/77/775547477.db2.gz UUAXHPMBFGSSBX-ZJUUUORDSA-N 1 1 308.338 -1.143 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087940820 775548097 /nfs/dbraw/zinc/54/80/97/775548097.db2.gz XSSXEMUHWDKWIC-AGIUHOORSA-N 1 1 310.398 -1.417 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087915064 775548144 /nfs/dbraw/zinc/54/81/44/775548144.db2.gz TVTAUCFZFQBUGU-NEPJUHHUSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088019297 775550392 /nfs/dbraw/zinc/55/03/92/775550392.db2.gz GKYFXRCYVQGEKH-UPJWGTAASA-N 1 1 323.397 -1.257 20 0 DAADMO COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001271174636 775550608 /nfs/dbraw/zinc/55/06/08/775550608.db2.gz JUZHDLCJYCNBGN-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]2C1 ZINC001087997456 775550652 /nfs/dbraw/zinc/55/06/52/775550652.db2.gz GWBFCNDIWJXHPF-UTLUCORTSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001087990420 775552102 /nfs/dbraw/zinc/55/21/02/775552102.db2.gz FOXBVKUGCJSCDN-TUAOUCFPSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271175799 775552182 /nfs/dbraw/zinc/55/21/82/775552182.db2.gz MTYJGYVOHXHEQI-RYUDHWBXSA-N 1 1 322.409 -1.009 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271183351 775552891 /nfs/dbraw/zinc/55/28/91/775552891.db2.gz BTPDGWNOTGVIGU-HZMBPMFUSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271183351 775552899 /nfs/dbraw/zinc/55/28/99/775552899.db2.gz BTPDGWNOTGVIGU-HZMBPMFUSA-N 1 1 314.386 -1.815 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183955 775553030 /nfs/dbraw/zinc/55/30/30/775553030.db2.gz HEWPIIWWEAUVIO-ZDUSSCGKSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183955 775553034 /nfs/dbraw/zinc/55/30/34/775553034.db2.gz HEWPIIWWEAUVIO-ZDUSSCGKSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001088065003 775553206 /nfs/dbraw/zinc/55/32/06/775553206.db2.gz DTCRMZSDEUXEOU-MJBXVCDLSA-N 1 1 324.425 -1.421 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271183392 775553714 /nfs/dbraw/zinc/55/37/14/775553714.db2.gz BTPDGWNOTGVIGU-YGRLFVJLSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271183392 775553727 /nfs/dbraw/zinc/55/37/27/775553727.db2.gz BTPDGWNOTGVIGU-YGRLFVJLSA-N 1 1 314.386 -1.815 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183772 775554033 /nfs/dbraw/zinc/55/40/33/775554033.db2.gz DWHGNOLQOORQPC-GXFFZTMASA-N 1 1 315.370 -2.188 20 0 DAADMO CN1CC(=O)Nc2ccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]c21 ZINC001168046446 775554230 /nfs/dbraw/zinc/55/42/30/775554230.db2.gz DZJWFKXJUXYODI-HLXLPKMUSA-N 1 1 308.338 -1.016 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001271184994 775554799 /nfs/dbraw/zinc/55/47/99/775554799.db2.gz QBPABNHIYRMUGW-ZDUSSCGKSA-N 1 1 311.342 -1.651 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271185387 775554844 /nfs/dbraw/zinc/55/48/44/775554844.db2.gz XVRCYMDNBOUSMR-TVQRCGJNSA-N 1 1 312.370 -1.931 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001271185112 775555127 /nfs/dbraw/zinc/55/51/27/775555127.db2.gz SJQNHQFDIXEKCK-CABZTGNLSA-N 1 1 319.383 -2.541 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001271185112 775555134 /nfs/dbraw/zinc/55/51/34/775555134.db2.gz SJQNHQFDIXEKCK-CABZTGNLSA-N 1 1 319.383 -2.541 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271184850 775555240 /nfs/dbraw/zinc/55/52/40/775555240.db2.gz OLOINFXWJQAAKK-ZWNOBZJWSA-N 1 1 300.359 -1.743 20 0 DAADMO COCCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271185253 775555815 /nfs/dbraw/zinc/55/58/15/775555815.db2.gz VIMHXNWXNGCORK-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO COCCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271185253 775555822 /nfs/dbraw/zinc/55/58/22/775555822.db2.gz VIMHXNWXNGCORK-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001271185113 775556241 /nfs/dbraw/zinc/55/62/41/775556241.db2.gz SJQNHQFDIXEKCK-JOYOIKCWSA-N 1 1 319.383 -2.541 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001271185113 775556245 /nfs/dbraw/zinc/55/62/45/775556245.db2.gz SJQNHQFDIXEKCK-JOYOIKCWSA-N 1 1 319.383 -2.541 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001271223384 775557299 /nfs/dbraw/zinc/55/72/99/775557299.db2.gz QOHVLSPIYOHRRN-MJBXVCDLSA-N 1 1 324.425 -1.062 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001271211284 775557967 /nfs/dbraw/zinc/55/79/67/775557967.db2.gz WVTZMQDTKUKEJA-RISCZKNCSA-N 1 1 301.387 -1.034 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1=O ZINC001271208300 775558199 /nfs/dbraw/zinc/55/81/99/775558199.db2.gz IRHLXTSBWVKJNZ-CYBMUJFWSA-N 1 1 314.342 -2.574 20 0 DAADMO COCCCN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001271263015 775562255 /nfs/dbraw/zinc/56/22/55/775562255.db2.gz SIJPXSQETHYVMD-GFCCVEGCSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCCN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001271263015 775562262 /nfs/dbraw/zinc/56/22/62/775562262.db2.gz SIJPXSQETHYVMD-GFCCVEGCSA-N 1 1 301.387 -1.484 20 0 DAADMO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CO)CC3)[C@@H]2C1 ZINC001271274526 775563732 /nfs/dbraw/zinc/56/37/32/775563732.db2.gz FLGKFSQFRREZRC-CHWSQXEVSA-N 1 1 324.425 -1.421 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088072295 775564560 /nfs/dbraw/zinc/56/45/60/775564560.db2.gz WSTUATWGVRDYAI-AXFHLTTASA-N 1 1 321.385 -1.262 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)n1 ZINC001088072302 775565334 /nfs/dbraw/zinc/56/53/34/775565334.db2.gz XFELUVQRMWLHQS-OUAUKWLOSA-N 1 1 319.369 -1.508 20 0 DAADMO CCCCC[NH+]1CC(O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001271289465 775566486 /nfs/dbraw/zinc/56/64/86/775566486.db2.gz OATRADKCTBEOSF-UHFFFAOYSA-N 1 1 324.385 -1.270 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074507 775566726 /nfs/dbraw/zinc/56/67/26/775566726.db2.gz QYKYSOLVNJJDNT-AGIUHOORSA-N 1 1 322.409 -1.009 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CCNC1=O ZINC001271335007 775569398 /nfs/dbraw/zinc/56/93/98/775569398.db2.gz DWRLMYMQXMAJHV-VXGBXAGGSA-N 1 1 311.382 -1.288 20 0 DAADMO COCCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271343098 775570757 /nfs/dbraw/zinc/57/07/57/775570757.db2.gz IETBXAQCINSBLK-LLVKDONJSA-N 1 1 314.386 -1.353 20 0 DAADMO O=C(NCC1CC1)C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001271376108 775572588 /nfs/dbraw/zinc/57/25/88/775572588.db2.gz ZKSYMQWUIOGNNO-GFCCVEGCSA-N 1 1 311.382 -1.288 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088612 775574150 /nfs/dbraw/zinc/57/41/50/775574150.db2.gz CZXXOMVHCMYCLA-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001088086515 775574854 /nfs/dbraw/zinc/57/48/54/775574854.db2.gz LVJPNSUWMYNIOU-WOPDTQHZSA-N 1 1 323.397 -1.464 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001211891538 775576055 /nfs/dbraw/zinc/57/60/55/775576055.db2.gz NUUCFNNIVDTEHV-JHJVBQTASA-N 1 1 318.370 -1.774 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001211891538 775576060 /nfs/dbraw/zinc/57/60/60/775576060.db2.gz NUUCFNNIVDTEHV-JHJVBQTASA-N 1 1 318.370 -1.774 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142995 775577578 /nfs/dbraw/zinc/57/75/78/775577578.db2.gz ORRJXQHNOVLCNC-TUAOUCFPSA-N 1 1 324.381 -1.301 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2C1 ZINC001088140307 775578163 /nfs/dbraw/zinc/57/81/63/775578163.db2.gz FHTMXBRGYNEZNA-KGLIPLIRSA-N 1 1 324.425 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]2C1 ZINC001088139353 775578259 /nfs/dbraw/zinc/57/82/59/775578259.db2.gz IUGMCKGBBVRWGD-MNOVXSKESA-N 1 1 306.370 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001088150007 775579271 /nfs/dbraw/zinc/57/92/71/775579271.db2.gz GMYZQAIZOFOAAS-UTUOFQBUSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193839 775582043 /nfs/dbraw/zinc/58/20/43/775582043.db2.gz YXRCPFHRPFQVEP-TUAOUCFPSA-N 1 1 324.381 -1.301 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)ccc1=O ZINC001088191965 775583139 /nfs/dbraw/zinc/58/31/39/775583139.db2.gz CLGICAACVFPNFG-MNOVXSKESA-N 1 1 319.365 -1.341 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001088176513 775583165 /nfs/dbraw/zinc/58/31/65/775583165.db2.gz ZLZRZORYZVTQNP-WOPDTQHZSA-N 1 1 308.382 -1.209 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001088208433 775583251 /nfs/dbraw/zinc/58/32/51/775583251.db2.gz ZFMUHWRURJZOSB-HZSPNIEDSA-N 1 1 324.425 -1.027 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)nn1 ZINC001088212562 775583304 /nfs/dbraw/zinc/58/33/04/775583304.db2.gz ZDECRXDIAYDWJZ-MNOVXSKESA-N 1 1 322.369 -1.850 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]2C1 ZINC001088220805 775583319 /nfs/dbraw/zinc/58/33/19/775583319.db2.gz VYOYZAGIURGHKF-WOPDTQHZSA-N 1 1 323.397 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nc(N)n[nH]3)[C@@H]2C1 ZINC001271498737 775584405 /nfs/dbraw/zinc/58/44/05/775584405.db2.gz HMIBHIQOHCVXCM-VHSXEESVSA-N 1 1 321.385 -1.450 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nc(N)n[nH]3)[C@@H]2C1 ZINC001271498737 775584410 /nfs/dbraw/zinc/58/44/10/775584410.db2.gz HMIBHIQOHCVXCM-VHSXEESVSA-N 1 1 321.385 -1.450 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001271603719 775588979 /nfs/dbraw/zinc/58/89/79/775588979.db2.gz AAKBXPNUIMWKIK-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C4(CO)COC4)CC3)[C@H]2C1 ZINC001271661754 775592021 /nfs/dbraw/zinc/59/20/21/775592021.db2.gz WMFMCFRJRRGRKJ-RYUDHWBXSA-N 1 1 323.393 -1.336 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@]3(CCCC(=O)N3)C2)NC1=O ZINC001271689716 775592792 /nfs/dbraw/zinc/59/27/92/775592792.db2.gz HIBBBFLCKGIZBQ-XHDPSFHLSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001271831929 775596930 /nfs/dbraw/zinc/59/69/30/775596930.db2.gz NWSVYBZYCIXEED-MJBXVCDLSA-N 1 1 314.382 -1.199 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001271945080 775603752 /nfs/dbraw/zinc/60/37/52/775603752.db2.gz HVEPLVZUGCJKNC-NSHDSACASA-N 1 1 308.382 -1.255 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCNC4=O)CC3)[C@H]2C1 ZINC001271945464 775604269 /nfs/dbraw/zinc/60/42/69/775604269.db2.gz JSEVINQNWVPXOA-SRVKXCTJSA-N 1 1 320.393 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001271948688 775605995 /nfs/dbraw/zinc/60/59/95/775605995.db2.gz DESOEQLQDKCBAS-GWCFXTLKSA-N 1 1 303.359 -2.188 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088460913 775611335 /nfs/dbraw/zinc/61/13/35/775611335.db2.gz JKTHWUARPAXYTF-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088460913 775611341 /nfs/dbraw/zinc/61/13/41/775611341.db2.gz JKTHWUARPAXYTF-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@@H+]1CC(=O)N(C)C ZINC001088532041 775615926 /nfs/dbraw/zinc/61/59/26/775615926.db2.gz YNAPLGFDTVWLMW-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CC[N@H+]1CC(=O)N(C)C ZINC001088532041 775615934 /nfs/dbraw/zinc/61/59/34/775615934.db2.gz YNAPLGFDTVWLMW-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1CC(=O)N(C)C ZINC001088533093 775617377 /nfs/dbraw/zinc/61/73/77/775617377.db2.gz YTGYGPWCIMGUEE-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1CC(=O)N(C)C ZINC001088533093 775617383 /nfs/dbraw/zinc/61/73/83/775617383.db2.gz YTGYGPWCIMGUEE-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO CCn1ncc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)n1 ZINC001126702598 775620636 /nfs/dbraw/zinc/62/06/36/775620636.db2.gz LCIASURLBLSFQC-UHFFFAOYSA-N 1 1 320.357 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001272059219 775621383 /nfs/dbraw/zinc/62/13/83/775621383.db2.gz IUCKBEMYHUUHBN-NWDGAFQWSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001272059219 775621386 /nfs/dbraw/zinc/62/13/86/775621386.db2.gz IUCKBEMYHUUHBN-NWDGAFQWSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001272064849 775621994 /nfs/dbraw/zinc/62/19/94/775621994.db2.gz JYXAUIHAJMZDNV-FIXISWKDSA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@H](OC)C1 ZINC001211918119 775622697 /nfs/dbraw/zinc/62/26/97/775622697.db2.gz XANCWQMDQYTKQQ-FBIMIBRVSA-N 1 1 316.383 -1.026 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@H](OC)C1 ZINC001211918119 775622704 /nfs/dbraw/zinc/62/27/04/775622704.db2.gz XANCWQMDQYTKQQ-FBIMIBRVSA-N 1 1 316.383 -1.026 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(N)=O)[C@@H]2C1 ZINC001272065273 775622741 /nfs/dbraw/zinc/62/27/41/775622741.db2.gz NVQYJMHYFZLFLB-NNYUYHANSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(N)=O)[C@@H]2C1 ZINC001272065273 775622748 /nfs/dbraw/zinc/62/27/48/775622748.db2.gz NVQYJMHYFZLFLB-NNYUYHANSA-N 1 1 308.382 -1.271 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)C1 ZINC001272059953 775622944 /nfs/dbraw/zinc/62/29/44/775622944.db2.gz QJMWLXMNOIJNNM-NWDGAFQWSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)C1 ZINC001272059953 775622947 /nfs/dbraw/zinc/62/29/47/775622947.db2.gz QJMWLXMNOIJNNM-NWDGAFQWSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059569 775622962 /nfs/dbraw/zinc/62/29/62/775622962.db2.gz MVXRLISXEGMVJD-OLZOCXBDSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059569 775622964 /nfs/dbraw/zinc/62/29/64/775622964.db2.gz MVXRLISXEGMVJD-OLZOCXBDSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)C1 ZINC001272059362 775622974 /nfs/dbraw/zinc/62/29/74/775622974.db2.gz KIBDBVWFLYIBJH-DVOMOZLQSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)C1 ZINC001272059362 775622976 /nfs/dbraw/zinc/62/29/76/775622976.db2.gz KIBDBVWFLYIBJH-DVOMOZLQSA-N 1 1 323.393 -1.072 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001272064405 775623064 /nfs/dbraw/zinc/62/30/64/775623064.db2.gz DGGPYMDAMSWNHS-RHYQMDGZSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001272064405 775623066 /nfs/dbraw/zinc/62/30/66/775623066.db2.gz DGGPYMDAMSWNHS-RHYQMDGZSA-N 1 1 308.382 -1.129 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@@H]4C(N)=O)CC3)[C@@H]2C1 ZINC001272065964 775624365 /nfs/dbraw/zinc/62/43/65/775624365.db2.gz WKBPFEWHASEJCD-IRCOFANPSA-N 1 1 320.393 -1.223 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[C@H]4C(N)=O)CC3)[C@H]2C1 ZINC001272065966 775624398 /nfs/dbraw/zinc/62/43/98/775624398.db2.gz WKBPFEWHASEJCD-RHYQMDGZSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC001088570515 775625240 /nfs/dbraw/zinc/62/52/40/775625240.db2.gz ZGXLGARSFSWGSN-MNOVXSKESA-N 1 1 305.346 -1.456 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088569989 775625293 /nfs/dbraw/zinc/62/52/93/775625293.db2.gz VRAIQONHROQXRS-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088569989 775625299 /nfs/dbraw/zinc/62/52/99/775625299.db2.gz VRAIQONHROQXRS-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088569963 775625850 /nfs/dbraw/zinc/62/58/50/775625850.db2.gz UBMOKYXXXAXKKB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088569963 775625854 /nfs/dbraw/zinc/62/58/54/775625854.db2.gz UBMOKYXXXAXKKB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001280444139 775626072 /nfs/dbraw/zinc/62/60/72/775626072.db2.gz FMJAMJGNRIUSOZ-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088579236 775627393 /nfs/dbraw/zinc/62/73/93/775627393.db2.gz VSIFXXDARRFPMK-AXFHLTTASA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC001088579101 775627724 /nfs/dbraw/zinc/62/77/24/775627724.db2.gz NTOKYYDXPSITFO-SFYZADRCSA-N 1 1 309.330 -2.559 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC001088579101 775627727 /nfs/dbraw/zinc/62/77/27/775627727.db2.gz NTOKYYDXPSITFO-SFYZADRCSA-N 1 1 309.330 -2.559 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001272079967 775627837 /nfs/dbraw/zinc/62/78/37/775627837.db2.gz FRTFGLSDFLAMNV-VIFPVBQESA-N 1 1 313.358 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001272079967 775627843 /nfs/dbraw/zinc/62/78/43/775627843.db2.gz FRTFGLSDFLAMNV-VIFPVBQESA-N 1 1 313.358 -2.032 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229508919 775629180 /nfs/dbraw/zinc/62/91/80/775629180.db2.gz ZYSKDJGLPTWQKU-UHFFFAOYSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001212017296 775631709 /nfs/dbraw/zinc/63/17/09/775631709.db2.gz DMUIXCFDXINPFN-DDHJBXDOSA-N 1 1 315.370 -1.912 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001088606411 775632001 /nfs/dbraw/zinc/63/20/01/775632001.db2.gz RFMGZJGSQHEOSU-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001088605611 775632075 /nfs/dbraw/zinc/63/20/75/775632075.db2.gz YCTCQKQPEKQWPA-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212043532 775633590 /nfs/dbraw/zinc/63/35/90/775633590.db2.gz MBNFQXDVAUJVFQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212043532 775633599 /nfs/dbraw/zinc/63/35/99/775633599.db2.gz MBNFQXDVAUJVFQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC(N)=O ZINC001212073605 775634981 /nfs/dbraw/zinc/63/49/81/775634981.db2.gz IMKHRAREFILPNW-GHMZBOCLSA-N 1 1 312.370 -1.797 20 0 DAADMO CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC(N)=O ZINC001212073605 775634992 /nfs/dbraw/zinc/63/49/92/775634992.db2.gz IMKHRAREFILPNW-GHMZBOCLSA-N 1 1 312.370 -1.797 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073816 775636049 /nfs/dbraw/zinc/63/60/49/775636049.db2.gz RWUDYXNRJSELFA-GMTAPVOTSA-N 1 1 314.386 -1.279 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073816 775636050 /nfs/dbraw/zinc/63/60/50/775636050.db2.gz RWUDYXNRJSELFA-GMTAPVOTSA-N 1 1 314.386 -1.279 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1nnc(C)s1 ZINC001272097051 775636206 /nfs/dbraw/zinc/63/62/06/775636206.db2.gz ULLIFJNDJBXPJU-UHFFFAOYSA-N 1 1 315.399 -1.107 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071412 775636280 /nfs/dbraw/zinc/63/62/80/775636280.db2.gz PIWDSABXKRSUMW-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071412 775636282 /nfs/dbraw/zinc/63/62/82/775636282.db2.gz PIWDSABXKRSUMW-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCOC1 ZINC001272136585 775639442 /nfs/dbraw/zinc/63/94/42/775639442.db2.gz XUPHMGZWGAWOAR-NSHDSACASA-N 1 1 312.374 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001272152183 775640024 /nfs/dbraw/zinc/64/00/24/775640024.db2.gz QQZRBWWKZMBNFT-VIFPVBQESA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001272152183 775640028 /nfs/dbraw/zinc/64/00/28/775640028.db2.gz QQZRBWWKZMBNFT-VIFPVBQESA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@H](C)NC(N)=O)no1 ZINC001272150541 775640070 /nfs/dbraw/zinc/64/00/70/775640070.db2.gz YYKRGZKAKCSHGY-JTQLQIEISA-N 1 1 313.358 -1.050 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001272131573 775640342 /nfs/dbraw/zinc/64/03/42/775640342.db2.gz HUFQLSKCHJHQJU-SNVBAGLBSA-N 1 1 312.370 -1.307 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001272131573 775640350 /nfs/dbraw/zinc/64/03/50/775640350.db2.gz HUFQLSKCHJHQJU-SNVBAGLBSA-N 1 1 312.370 -1.307 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)c2cn(C)nn2)n1 ZINC001272155928 775641002 /nfs/dbraw/zinc/64/10/02/775641002.db2.gz WRFXAFXLTQUFJQ-UHFFFAOYSA-N 1 1 307.358 -1.227 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001272169380 775643969 /nfs/dbraw/zinc/64/39/69/775643969.db2.gz UPTGVPLPNKFXNW-FZMZJTMJSA-N 1 1 309.370 -1.238 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098646903 775644282 /nfs/dbraw/zinc/64/42/82/775644282.db2.gz ZJQMRCFJPJZGRH-SNVBAGLBSA-N 1 1 322.369 -1.015 20 0 DAADMO C[C@H]1CN(C(=O)c2nc[nH]n2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098646902 775644533 /nfs/dbraw/zinc/64/45/33/775644533.db2.gz ZJQMRCFJPJZGRH-JTQLQIEISA-N 1 1 322.369 -1.015 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001272184584 775644690 /nfs/dbraw/zinc/64/46/90/775644690.db2.gz ASNWXCQMKUXMOA-GHMZBOCLSA-N 1 1 315.370 -1.563 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100986379 775645309 /nfs/dbraw/zinc/64/53/09/775645309.db2.gz SOUBZMRHINZBOQ-PNESKVBLSA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001088630588 775646850 /nfs/dbraw/zinc/64/68/50/775646850.db2.gz OXCMAZFFBKKLJP-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001088630588 775646855 /nfs/dbraw/zinc/64/68/55/775646855.db2.gz OXCMAZFFBKKLJP-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)nn1 ZINC001272225062 775653646 /nfs/dbraw/zinc/65/36/46/775653646.db2.gz KYRUQLHNHQIPBC-NSHDSACASA-N 1 1 310.358 -2.138 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)nn1C ZINC001272224183 775654283 /nfs/dbraw/zinc/65/42/83/775654283.db2.gz AOMZXOMCMIWCFF-CYBMUJFWSA-N 1 1 323.397 -1.225 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)nn1-c1nc[nH]n1 ZINC001088783517 775655734 /nfs/dbraw/zinc/65/57/34/775655734.db2.gz ZJAQASNWHKDSDG-SCZZXKLOSA-N 1 1 320.357 -1.121 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088793314 775656330 /nfs/dbraw/zinc/65/63/30/775656330.db2.gz CDHDGFFFWXKYRN-JLLWLGSASA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088793314 775656339 /nfs/dbraw/zinc/65/63/39/775656339.db2.gz CDHDGFFFWXKYRN-JLLWLGSASA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCCS2(=O)=O)CC[N@H+]1CCO ZINC001088750753 775656599 /nfs/dbraw/zinc/65/65/99/775656599.db2.gz FYJIAVQJPKMLJO-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@H+]1CCO ZINC001088765385 775656919 /nfs/dbraw/zinc/65/69/19/775656919.db2.gz CLOXIJXTKVWBNZ-USWWRNFRSA-N 1 1 307.354 -1.063 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)N(C)C ZINC001088795779 775658758 /nfs/dbraw/zinc/65/87/58/775658758.db2.gz MTSWWICCZGAHSM-OUAUKWLOSA-N 1 1 311.386 -1.323 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)N(C)C ZINC001088795779 775658764 /nfs/dbraw/zinc/65/87/64/775658764.db2.gz MTSWWICCZGAHSM-OUAUKWLOSA-N 1 1 311.386 -1.323 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@@]2(F)CCOC2)n1 ZINC001272241793 775660385 /nfs/dbraw/zinc/66/03/85/775660385.db2.gz AIZYRVBAXWLWOA-CYBMUJFWSA-N 1 1 315.349 -1.146 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)c1nnn(C)n1 ZINC001272234214 775660617 /nfs/dbraw/zinc/66/06/17/775660617.db2.gz FWBLLGMNANMRKU-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088828845 775662371 /nfs/dbraw/zinc/66/23/71/775662371.db2.gz WNAYUNUBECBSDU-USWWRNFRSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088828845 775662373 /nfs/dbraw/zinc/66/23/73/775662373.db2.gz WNAYUNUBECBSDU-USWWRNFRSA-N 1 1 323.397 -1.132 20 0 DAADMO Cn1c(Cl)cnc1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001272242760 775662490 /nfs/dbraw/zinc/66/24/90/775662490.db2.gz KFGLDEVAQKBISH-UHFFFAOYSA-N 1 1 303.750 -1.531 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088828779 775662562 /nfs/dbraw/zinc/66/25/62/775662562.db2.gz USYUVXGQZMKHOH-VWYCJHECSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088828779 775662565 /nfs/dbraw/zinc/66/25/65/775662565.db2.gz USYUVXGQZMKHOH-VWYCJHECSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088828133 775662748 /nfs/dbraw/zinc/66/27/48/775662748.db2.gz ATGFXCCMUUMDJY-MIMYLULJSA-N 1 1 309.370 -1.475 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088828133 775662755 /nfs/dbraw/zinc/66/27/55/775662755.db2.gz ATGFXCCMUUMDJY-MIMYLULJSA-N 1 1 309.370 -1.475 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)nn1 ZINC001272242984 775662811 /nfs/dbraw/zinc/66/28/11/775662811.db2.gz NZHLGQNDPIGBMY-UHFFFAOYSA-N 1 1 310.358 -2.009 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)n[nH]1 ZINC001126912421 775663177 /nfs/dbraw/zinc/66/31/77/775663177.db2.gz NCKBXQFCVLRPHX-UHFFFAOYSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088829505 775663451 /nfs/dbraw/zinc/66/34/51/775663451.db2.gz URWCTCJRGANKSE-VWYCJHECSA-N 1 1 307.358 -1.462 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)n[nH]1 ZINC001126921840 775664845 /nfs/dbraw/zinc/66/48/45/775664845.db2.gz XXDWGWMHTZYFQJ-UHFFFAOYSA-N 1 1 304.376 -2.089 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126926962 775665079 /nfs/dbraw/zinc/66/50/79/775665079.db2.gz WONMFXVDBMHTBG-SSDOTTSWSA-N 1 1 311.346 -1.794 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)n[nH]1 ZINC001126926166 775665551 /nfs/dbraw/zinc/66/55/51/775665551.db2.gz HUCBHLBUFQRGOE-LLVKDONJSA-N 1 1 307.358 -1.381 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC[C@@H]1CCCO1 ZINC001213993632 775668344 /nfs/dbraw/zinc/66/83/44/775668344.db2.gz XUDFAYKUOLXSDX-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO CCc1cc(NC[C@H](O)CNC(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001105711000 775670717 /nfs/dbraw/zinc/67/07/17/775670717.db2.gz SBDMOQPRCNCVBB-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035993 775672011 /nfs/dbraw/zinc/67/20/11/775672011.db2.gz WSVCNADPDTVCIK-UHFFFAOYSA-N 1 1 310.362 -1.779 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001127081784 775675674 /nfs/dbraw/zinc/67/56/74/775675674.db2.gz BMWOKDVDASUCTF-MRVPVSSYSA-N 1 1 318.403 -1.181 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001127099163 775676911 /nfs/dbraw/zinc/67/69/11/775676911.db2.gz IPXSYBDMYWPWPS-UHFFFAOYSA-N 1 1 319.387 -1.381 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001127092756 775677485 /nfs/dbraw/zinc/67/74/85/775677485.db2.gz UKMULKVDVVTQCI-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO CCc1cc(NC[C@@H](O)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001105716552 775678625 /nfs/dbraw/zinc/67/86/25/775678625.db2.gz VWJYAEFEHSVMKB-LLVKDONJSA-N 1 1 320.357 -1.077 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212159276 775687006 /nfs/dbraw/zinc/68/70/06/775687006.db2.gz REXVPWQDNYGJAB-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212159276 775687013 /nfs/dbraw/zinc/68/70/13/775687013.db2.gz REXVPWQDNYGJAB-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105754810 775687340 /nfs/dbraw/zinc/68/73/40/775687340.db2.gz HXRRFYWHGIKOMP-VHSXEESVSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105754808 775687477 /nfs/dbraw/zinc/68/74/77/775687477.db2.gz HXRRFYWHGIKOMP-NXEZZACHSA-N 1 1 320.357 -1.498 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098675666 775691621 /nfs/dbraw/zinc/69/16/21/775691621.db2.gz DVWHUEDLZXUJGI-NSHDSACASA-N 1 1 321.345 -2.180 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105793474 775692978 /nfs/dbraw/zinc/69/29/78/775692978.db2.gz HWGRXORGKFSWMQ-CKYFFXLPSA-N 1 1 323.401 -1.081 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001105811144 775698466 /nfs/dbraw/zinc/69/84/66/775698466.db2.gz PEVWQWHTOWNIFJ-RKDXNWHRSA-N 1 1 310.362 -1.938 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105869286 775706089 /nfs/dbraw/zinc/70/60/89/775706089.db2.gz OVOQMXIYHYKPSE-JTQLQIEISA-N 1 1 322.373 -1.252 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105909728 775710373 /nfs/dbraw/zinc/71/03/73/775710373.db2.gz MLOMFFBQMHVLNX-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105910224 775710565 /nfs/dbraw/zinc/71/05/65/775710565.db2.gz SKUQYWXHVJXJRJ-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO Cc1nc(NC[C@H](O)CNC(=O)Cn2ncnn2)c(C)c(C)[nH+]1 ZINC001105975335 775719945 /nfs/dbraw/zinc/71/99/45/775719945.db2.gz SXXSWGLJVAUUSV-LLVKDONJSA-N 1 1 320.357 -1.022 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001105975412 775720031 /nfs/dbraw/zinc/72/00/31/775720031.db2.gz VLPYBGSRYMHQQY-SNVBAGLBSA-N 1 1 306.330 -1.331 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001088855672 775724161 /nfs/dbraw/zinc/72/41/61/775724161.db2.gz XGJKYOKUNZRZGX-VPOLOUISSA-N 1 1 312.370 -1.656 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001088855672 775724172 /nfs/dbraw/zinc/72/41/72/775724172.db2.gz XGJKYOKUNZRZGX-VPOLOUISSA-N 1 1 312.370 -1.656 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088863695 775726264 /nfs/dbraw/zinc/72/62/64/775726264.db2.gz SMLFGPVTLDRQRU-YJQGPUDQSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088863695 775726275 /nfs/dbraw/zinc/72/62/75/775726275.db2.gz SMLFGPVTLDRQRU-YJQGPUDQSA-N 1 1 308.382 -1.035 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)c2nnn(C)n2)nc(C)[nH+]1 ZINC001106053644 775730935 /nfs/dbraw/zinc/73/09/35/775730935.db2.gz AFKHQQXLGVOEHQ-SECBINFHSA-N 1 1 306.330 -1.180 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001168417556 775733273 /nfs/dbraw/zinc/73/32/73/775733273.db2.gz UHBGEJCWJKFALC-UHFFFAOYSA-N 1 1 312.374 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001088918200 775734990 /nfs/dbraw/zinc/73/49/90/775734990.db2.gz NDNQLIJLMKDHPG-SCZZXKLOSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001088918200 775734998 /nfs/dbraw/zinc/73/49/98/775734998.db2.gz NDNQLIJLMKDHPG-SCZZXKLOSA-N 1 1 310.354 -1.636 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)c2ccncn2)n1 ZINC001272278123 775735387 /nfs/dbraw/zinc/73/53/87/775735387.db2.gz SRXKSNNFOJVVOJ-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)ccc1=O ZINC001088928156 775735614 /nfs/dbraw/zinc/73/56/14/775735614.db2.gz PPIDNCJYKXAJAD-ZJUUUORDSA-N 1 1 307.354 -1.059 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)ccc1=O ZINC001088928156 775735628 /nfs/dbraw/zinc/73/56/28/775735628.db2.gz PPIDNCJYKXAJAD-ZJUUUORDSA-N 1 1 307.354 -1.059 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)CC[N@H+]1CCO ZINC001088912602 775735823 /nfs/dbraw/zinc/73/58/23/775735823.db2.gz HQBUWQSMQPXGSS-NEPJUHHUSA-N 1 1 324.385 -1.250 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(=O)N(C)C ZINC001088918172 775735859 /nfs/dbraw/zinc/73/58/59/775735859.db2.gz LLPBLGXJWDZUSN-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(=O)N(C)C ZINC001088918172 775735863 /nfs/dbraw/zinc/73/58/63/775735863.db2.gz LLPBLGXJWDZUSN-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(CCO)C(=O)c1nc[nH]n1 ZINC001272277039 775736360 /nfs/dbraw/zinc/73/63/60/775736360.db2.gz FXXLTPHYHHCEMK-UHFFFAOYSA-N 1 1 308.346 -1.360 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCCO ZINC001088977785 775737332 /nfs/dbraw/zinc/73/73/32/775737332.db2.gz OFBRXAVEGBBTJL-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2C)c(=O)n1C ZINC001089015376 775737492 /nfs/dbraw/zinc/73/74/92/775737492.db2.gz UHQASNIBMRHFAG-PWSUYJOCSA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC001088977338 775738048 /nfs/dbraw/zinc/73/80/48/775738048.db2.gz UKGRGMDZQDSUTM-AXFHLTTASA-N 1 1 312.370 -1.160 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001089035658 775738440 /nfs/dbraw/zinc/73/84/40/775738440.db2.gz OIMGPYMLTIHOON-SCZZXKLOSA-N 1 1 323.353 -1.576 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC001089035658 775738445 /nfs/dbraw/zinc/73/84/45/775738445.db2.gz OIMGPYMLTIHOON-SCZZXKLOSA-N 1 1 323.353 -1.576 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)Cn2ncnn2)[N@H+](CC(N)=O)C1 ZINC001099081047 775738617 /nfs/dbraw/zinc/73/86/17/775738617.db2.gz UZSGOTALRMLNFM-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)Cn2ncnn2)[N@@H+](CC(N)=O)C1 ZINC001099081047 775738623 /nfs/dbraw/zinc/73/86/23/775738623.db2.gz UZSGOTALRMLNFM-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)CC[N@H+]1CCO ZINC001089061152 775740183 /nfs/dbraw/zinc/74/01/83/775740183.db2.gz IVDXVQLHFFZJKO-MNOVXSKESA-N 1 1 324.385 -1.449 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@H](OC)C1 ZINC001212195482 775740497 /nfs/dbraw/zinc/74/04/97/775740497.db2.gz ABJLOZWJNRIXIW-CKYFFXLPSA-N 1 1 313.358 -1.749 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212195664 775741278 /nfs/dbraw/zinc/74/12/78/775741278.db2.gz DQSXNCPTUQQTNW-OUAUKWLOSA-N 1 1 301.343 -1.053 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106088284 775742605 /nfs/dbraw/zinc/74/26/05/775742605.db2.gz CMPFHFNDMBREDP-ZJUUUORDSA-N 1 1 308.342 -1.336 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC001089114278 775742757 /nfs/dbraw/zinc/74/27/57/775742757.db2.gz HRKDJUSRDMAWOL-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)Cc2nnc[nH]2)n1 ZINC001272289677 775742994 /nfs/dbraw/zinc/74/29/94/775742994.db2.gz IOKDSTVILWUQKQ-UHFFFAOYSA-N 1 1 308.346 -1.914 20 0 DAADMO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001106088422 775743813 /nfs/dbraw/zinc/74/38/13/775743813.db2.gz GKSSFAHEKJMBIE-MNOVXSKESA-N 1 1 322.369 -1.028 20 0 DAADMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)CNC1=O)C2 ZINC001272323560 775749061 /nfs/dbraw/zinc/74/90/61/775749061.db2.gz AWJNJOFZYNHBAU-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)C1 ZINC001272324483 775749366 /nfs/dbraw/zinc/74/93/66/775749366.db2.gz QSCCMTFUXJPOCG-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)C1 ZINC001272324483 775749373 /nfs/dbraw/zinc/74/93/73/775749373.db2.gz QSCCMTFUXJPOCG-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnnn1C ZINC001212196388 775751549 /nfs/dbraw/zinc/75/15/49/775751549.db2.gz SEZSEILMDYIHEG-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnnn1C ZINC001212196388 775751556 /nfs/dbraw/zinc/75/15/56/775751556.db2.gz SEZSEILMDYIHEG-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)s1 ZINC001272381605 775756736 /nfs/dbraw/zinc/75/67/36/775756736.db2.gz VBFZRAQBZWPFGE-QMMMGPOBSA-N 1 1 313.383 -1.142 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cnn2ccncc12 ZINC001272434266 775759475 /nfs/dbraw/zinc/75/94/75/775759475.db2.gz DDZHWEOBOKTMBS-JTQLQIEISA-N 1 1 317.309 -1.007 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F)nn1 ZINC001272460585 775761263 /nfs/dbraw/zinc/76/12/63/775761263.db2.gz DKCHHPQYGQCIBZ-MRVPVSSYSA-N 1 1 320.300 -2.237 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001272512167 775768747 /nfs/dbraw/zinc/76/87/47/775768747.db2.gz JOWABDZNVQZZIY-SECBINFHSA-N 1 1 310.358 -1.870 20 0 DAADMO NC(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001272513595 775768816 /nfs/dbraw/zinc/76/88/16/775768816.db2.gz PYJFKGYXLWMNNL-LBPRGKRZSA-N 1 1 318.337 -1.681 20 0 DAADMO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001272530758 775770315 /nfs/dbraw/zinc/77/03/15/775770315.db2.gz XNDUYSKZTRKJDP-CYBMUJFWSA-N 1 1 321.385 -1.073 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001272555689 775773743 /nfs/dbraw/zinc/77/37/43/775773743.db2.gz QOXFFYOFZXEZBU-CYBMUJFWSA-N 1 1 323.441 -1.393 20 0 DAADMO CN1CCN(C)[C@H](C(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)C1 ZINC001272565351 775778110 /nfs/dbraw/zinc/77/81/10/775778110.db2.gz JPLWZOFIDTZTKH-AWEZNQCLSA-N 1 1 309.458 -1.062 20 0 DAADMO CN1CCN(C)[C@@H](C(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)C1 ZINC001272565354 775778606 /nfs/dbraw/zinc/77/86/06/775778606.db2.gz JPLWZOFIDTZTKH-CQSZACIVSA-N 1 1 309.458 -1.062 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001272574438 775779763 /nfs/dbraw/zinc/77/97/63/775779763.db2.gz HKSOMAGRPRWWEB-WDEREUQCSA-N 1 1 307.416 -1.951 20 0 DAADMO CC1(C)C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+](CC(N)=O)C1 ZINC001089316055 775781961 /nfs/dbraw/zinc/78/19/61/775781961.db2.gz NRIIAOJEKQWXCW-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+](CC(N)=O)C1 ZINC001089316061 775782160 /nfs/dbraw/zinc/78/21/60/775782160.db2.gz NRIIAOJEKQWXCW-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106213562 775784382 /nfs/dbraw/zinc/78/43/82/775784382.db2.gz ZPMZVHZUYMOGCL-NXEZZACHSA-N 1 1 324.389 -1.677 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001127317093 775785380 /nfs/dbraw/zinc/78/53/80/775785380.db2.gz ITUVZOVSCAPXIL-UHFFFAOYSA-N 1 1 322.369 -1.268 20 0 DAADMO C[N@H+](CCCNC(=O)CS(C)(=O)=O)CCNC(=O)C1CC1 ZINC001234965907 775786997 /nfs/dbraw/zinc/78/69/97/775786997.db2.gz GFAMNQYRCNWXBS-UHFFFAOYSA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@@H+](CCCNC(=O)CS(C)(=O)=O)CCNC(=O)C1CC1 ZINC001234965907 775787002 /nfs/dbraw/zinc/78/70/02/775787002.db2.gz GFAMNQYRCNWXBS-UHFFFAOYSA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001272625110 775794286 /nfs/dbraw/zinc/79/42/86/775794286.db2.gz IDNXXRAWVHXZHH-GUBZILKMSA-N 1 1 321.337 -1.078 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272629983 775794961 /nfs/dbraw/zinc/79/49/61/775794961.db2.gz QFQQHBFQDHSDCI-QWRGUYRKSA-N 1 1 321.381 -1.008 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272629983 775794969 /nfs/dbraw/zinc/79/49/69/775794969.db2.gz QFQQHBFQDHSDCI-QWRGUYRKSA-N 1 1 321.381 -1.008 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001272628369 775795000 /nfs/dbraw/zinc/79/50/00/775795000.db2.gz GFMMXRDDKCQBMG-WFGGJUAMSA-N 1 1 323.393 -1.195 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001272628369 775795007 /nfs/dbraw/zinc/79/50/07/775795007.db2.gz GFMMXRDDKCQBMG-WFGGJUAMSA-N 1 1 323.393 -1.195 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272625543 775795451 /nfs/dbraw/zinc/79/54/51/775795451.db2.gz MALWVDUFQZVRML-GUBZILKMSA-N 1 1 322.369 -1.785 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272625543 775795457 /nfs/dbraw/zinc/79/54/57/775795457.db2.gz MALWVDUFQZVRML-GUBZILKMSA-N 1 1 322.369 -1.785 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123306763 775797243 /nfs/dbraw/zinc/79/72/43/775797243.db2.gz YEPWPDBSZCJXNX-UHFFFAOYSA-N 1 1 308.350 -1.679 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](OC)C1 ZINC001212214729 775798302 /nfs/dbraw/zinc/79/83/02/775798302.db2.gz VZMGPWQSVIYGCA-HBNTYKKESA-N 1 1 313.358 -1.749 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001212214507 775798372 /nfs/dbraw/zinc/79/83/72/775798372.db2.gz LGJQRSYDIFLJAS-GHMZBOCLSA-N 1 1 313.358 -1.747 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001212214507 775798383 /nfs/dbraw/zinc/79/83/83/775798383.db2.gz LGJQRSYDIFLJAS-GHMZBOCLSA-N 1 1 313.358 -1.747 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@H](OC)C1 ZINC001212218881 775800204 /nfs/dbraw/zinc/80/02/04/775800204.db2.gz ODBFNSJKNGCNOG-FDYHWXHSSA-N 1 1 304.387 -1.174 20 0 DAADMO CC1(C)C[C@H](NC(=O)Cn2ncnn2)CC[N@@H+](CC(N)=O)C1 ZINC001089386299 775801334 /nfs/dbraw/zinc/80/13/34/775801334.db2.gz ODNRBKMMOJJQGH-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212228630 775802631 /nfs/dbraw/zinc/80/26/31/775802631.db2.gz RKAXZUPRBXBFCS-HBNTYKKESA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212228640 775802665 /nfs/dbraw/zinc/80/26/65/775802665.db2.gz SHMGNJLQNCHANN-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433837 775802746 /nfs/dbraw/zinc/80/27/46/775802746.db2.gz WNWYRABOWPHZAE-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127438984 775804381 /nfs/dbraw/zinc/80/43/81/775804381.db2.gz ZLWFJYVFGZSUDE-UHFFFAOYSA-N 1 1 305.346 -1.415 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)n1 ZINC001089464754 775805376 /nfs/dbraw/zinc/80/53/76/775805376.db2.gz KTVHDNQZQWZADD-VIFPVBQESA-N 1 1 309.374 -1.084 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@H]1COCCO1 ZINC001123868535 775806549 /nfs/dbraw/zinc/80/65/49/775806549.db2.gz AAMOSEKTZWZSSZ-SNVBAGLBSA-N 1 1 301.322 -1.131 20 0 DAADMO CC1(C)C[C@@H](NC(=O)C(N)=O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001089478869 775807202 /nfs/dbraw/zinc/80/72/02/775807202.db2.gz BKOMTVZFQVXLKE-UWVGGRQHSA-N 1 1 324.381 -1.116 20 0 DAADMO CC1(C)C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001089476891 775808001 /nfs/dbraw/zinc/80/80/01/775808001.db2.gz SGTIITGNHCOIDW-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[C@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001089476875 775808222 /nfs/dbraw/zinc/80/82/22/775808222.db2.gz SGTIITGNHCOIDW-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001212282064 775816061 /nfs/dbraw/zinc/81/60/61/775816061.db2.gz JFDWIWRRSWNHRT-GMTAPVOTSA-N 1 1 314.346 -2.504 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212309698 775816291 /nfs/dbraw/zinc/81/62/91/775816291.db2.gz ZVMGHBJJJGBVAG-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127647967 775818051 /nfs/dbraw/zinc/81/80/51/775818051.db2.gz CWDWXVFECPYMKW-UHFFFAOYSA-N 1 1 306.330 -1.984 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1nnnn1C ZINC001127652893 775820096 /nfs/dbraw/zinc/82/00/96/775820096.db2.gz GTMCFKYESXMAEE-ZETCQYMHSA-N 1 1 322.333 -2.633 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2nccs2)n1 ZINC001127653121 775820558 /nfs/dbraw/zinc/82/05/58/775820558.db2.gz MNLGKHBBFVHUMS-UHFFFAOYSA-N 1 1 309.355 -1.261 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648710 775820607 /nfs/dbraw/zinc/82/06/07/775820607.db2.gz YCQMITBWALTMJJ-UHFFFAOYSA-N 1 1 320.357 -1.501 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1nncn1C ZINC001127653425 775821210 /nfs/dbraw/zinc/82/12/10/775821210.db2.gz WRUWTRPMRVCULI-MRVPVSSYSA-N 1 1 321.345 -2.028 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)nn1 ZINC001127653279 775822504 /nfs/dbraw/zinc/82/25/04/775822504.db2.gz QCYKTKJJXNVDKC-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001212346808 775822516 /nfs/dbraw/zinc/82/25/16/775822516.db2.gz BAGMQEMYTPGJDC-WUHRBBMRSA-N 1 1 302.371 -1.154 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001127653457 775822808 /nfs/dbraw/zinc/82/28/08/775822808.db2.gz XGLAVILCLDDGKK-UHFFFAOYSA-N 1 1 320.357 -1.501 20 0 DAADMO Cn1ncnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089853615 775823572 /nfs/dbraw/zinc/82/35/72/775823572.db2.gz WNDKEPFRVSMNNL-BJDJZHNGSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089853615 775823577 /nfs/dbraw/zinc/82/35/77/775823577.db2.gz WNDKEPFRVSMNNL-BJDJZHNGSA-N 1 1 318.381 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C(N)=O)CC1 ZINC001089859618 775824998 /nfs/dbraw/zinc/82/49/98/775824998.db2.gz QQCFWNAAIPIUKX-USZNOCQGSA-N 1 1 320.393 -1.094 20 0 DAADMO Cn1cnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089860523 775826905 /nfs/dbraw/zinc/82/69/05/775826905.db2.gz XPVPSMOUQCVZJR-BJDJZHNGSA-N 1 1 318.381 -1.031 20 0 DAADMO CN(CC[NH2+]CCNC(=O)[C@@H]1CCCN1C)S(C)(=O)=O ZINC001124877266 775832332 /nfs/dbraw/zinc/83/23/32/775832332.db2.gz DYPZBSMUMDSYOR-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO CN(CC[NH2+]CCNC(=O)[C@H]1CCCN1C)S(C)(=O)=O ZINC001124877259 775832416 /nfs/dbraw/zinc/83/24/16/775832416.db2.gz DYPZBSMUMDSYOR-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO COCCOCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124920736 775833123 /nfs/dbraw/zinc/83/31/23/775833123.db2.gz JPSHVYJRMLUFLV-UHFFFAOYSA-N 1 1 313.358 -1.323 20 0 DAADMO O=S(=O)([N-][C@@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001238245001 775838526 /nfs/dbraw/zinc/83/85/26/775838526.db2.gz ZEDXOCFXKLUTAV-RKDXNWHRSA-N 1 1 309.413 -2.203 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107119482 775845692 /nfs/dbraw/zinc/84/56/92/775845692.db2.gz BZQPUIQHYQZGEW-NXEZZACHSA-N 1 1 324.385 -1.344 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107119485 775845752 /nfs/dbraw/zinc/84/57/52/775845752.db2.gz BZQPUIQHYQZGEW-ZJUUUORDSA-N 1 1 324.385 -1.344 20 0 DAADMO CC(=O)NCC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107117454 775845811 /nfs/dbraw/zinc/84/58/11/775845811.db2.gz UDEMLLBCPABHFV-VIFPVBQESA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107126803 775846852 /nfs/dbraw/zinc/84/68/52/775846852.db2.gz TULFLGQBFXZIMO-VIFPVBQESA-N 1 1 321.345 -2.182 20 0 DAADMO NC(=O)NCC(=O)NCc1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC001107123311 775847536 /nfs/dbraw/zinc/84/75/36/775847536.db2.gz GJVVHUGHSWPTMS-UHFFFAOYSA-N 1 1 307.358 -1.171 20 0 DAADMO CCC[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107122881 775847569 /nfs/dbraw/zinc/84/75/69/775847569.db2.gz MDIUPOHLFLBJJJ-UHFFFAOYSA-N 1 1 305.346 -1.152 20 0 DAADMO CC(C)[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107122672 775847710 /nfs/dbraw/zinc/84/77/10/775847710.db2.gz KCUKVWZNHJZHPQ-UHFFFAOYSA-N 1 1 305.346 -1.154 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CS(C)(=O)=O)nn2)C1 ZINC001107137129 775849666 /nfs/dbraw/zinc/84/96/66/775849666.db2.gz NYPCBISLCGTVFT-UHFFFAOYSA-N 1 1 301.372 -1.185 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+]([C@@H](C)COC)C2)nn1 ZINC001107161108 775850024 /nfs/dbraw/zinc/85/00/24/775850024.db2.gz YGZPNYZLEDSIPP-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)OC)C2)nn1 ZINC001107164127 775850885 /nfs/dbraw/zinc/85/08/85/775850885.db2.gz RILSTAFSVKSDFN-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107190813 775854952 /nfs/dbraw/zinc/85/49/52/775854952.db2.gz DABLLQILWBNJHD-JTQLQIEISA-N 1 1 324.385 -1.355 20 0 DAADMO CC[C@@H](C[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1)OC ZINC001107201834 775854977 /nfs/dbraw/zinc/85/49/77/775854977.db2.gz DYUSUXJUYUDREU-NSHDSACASA-N 1 1 310.358 -1.339 20 0 DAADMO CCOCCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107201865 775855252 /nfs/dbraw/zinc/85/52/52/775855252.db2.gz GFCGAKQLPFVTGM-UHFFFAOYSA-N 1 1 310.358 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001107280213 775858719 /nfs/dbraw/zinc/85/87/19/775858719.db2.gz SXKOZBAIIOKTPD-ZWNOBZJWSA-N 1 1 307.358 -1.481 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CS(=O)(=O)NC)nn2)C1 ZINC001107235691 775859034 /nfs/dbraw/zinc/85/90/34/775859034.db2.gz IZOVPXFJYWRKKO-UHFFFAOYSA-N 1 1 316.387 -1.680 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CNC(N)=O)CCC[C@@H]12 ZINC001107276647 775859106 /nfs/dbraw/zinc/85/91/06/775859106.db2.gz ATPPOSSPRCQJOL-QMTHXVAHSA-N 1 1 311.386 -1.239 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780058 775863346 /nfs/dbraw/zinc/86/33/46/775863346.db2.gz VERDFCOPPCSHMB-VXGBXAGGSA-N 1 1 319.427 -1.400 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780058 775863352 /nfs/dbraw/zinc/86/33/52/775863352.db2.gz VERDFCOPPCSHMB-VXGBXAGGSA-N 1 1 319.427 -1.400 20 0 DAADMO Cn1[nH]c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780073 775863866 /nfs/dbraw/zinc/86/38/66/775863866.db2.gz VROLGGVSWSIDJB-GHMZBOCLSA-N 1 1 324.385 -1.823 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779911 775863917 /nfs/dbraw/zinc/86/39/17/775863917.db2.gz SRHOTISEDNXAMC-QWHCGFSZSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779268 775864429 /nfs/dbraw/zinc/86/44/29/775864429.db2.gz KJGITXRFNAXTRM-VXGBXAGGSA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779176 775864588 /nfs/dbraw/zinc/86/45/88/775864588.db2.gz JTPBELZMHCFKIC-UWVGGRQHSA-N 1 1 310.358 -1.421 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCNC(N)=O)CCC[C@@H]12 ZINC001107628737 775867100 /nfs/dbraw/zinc/86/71/00/775867100.db2.gz FEEGLFAROODAIM-QMTHXVAHSA-N 1 1 311.386 -1.109 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697067 775869531 /nfs/dbraw/zinc/86/95/31/775869531.db2.gz ZBEKBOUXBMVSAL-OCCSQVGLSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697067 775869539 /nfs/dbraw/zinc/86/95/39/775869539.db2.gz ZBEKBOUXBMVSAL-OCCSQVGLSA-N 1 1 317.386 -1.663 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574696 775870324 /nfs/dbraw/zinc/87/03/24/775870324.db2.gz KUHRQYVZVOZXJM-SNVBAGLBSA-N 1 1 312.370 -1.666 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574696 775870330 /nfs/dbraw/zinc/87/03/30/775870330.db2.gz KUHRQYVZVOZXJM-SNVBAGLBSA-N 1 1 312.370 -1.666 20 0 DAADMO C[C@]1(CNC(=O)CNC(N)=O)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107724271 775870583 /nfs/dbraw/zinc/87/05/83/775870583.db2.gz NOXJNWJXDJSABD-FZMZJTMJSA-N 1 1 314.386 -1.102 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CCn1ccnn1 ZINC001272749246 775871440 /nfs/dbraw/zinc/87/14/40/775871440.db2.gz WUEJWLNTUJGRBA-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107726404 775871642 /nfs/dbraw/zinc/87/16/42/775871642.db2.gz NHKGRMPBZPJXSV-CYBMUJFWSA-N 1 1 302.375 -1.102 20 0 DAADMO CCOCC[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107726404 775871654 /nfs/dbraw/zinc/87/16/54/775871654.db2.gz NHKGRMPBZPJXSV-CYBMUJFWSA-N 1 1 302.375 -1.102 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2COCCO2)C[N@H+](CCCO)CCO1 ZINC001107757668 775872965 /nfs/dbraw/zinc/87/29/65/775872965.db2.gz SAAZXQDUBJRXOU-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2COCCO2)C[N@@H+](CCCO)CCO1 ZINC001107757668 775872974 /nfs/dbraw/zinc/87/29/74/775872974.db2.gz SAAZXQDUBJRXOU-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107773543 775873017 /nfs/dbraw/zinc/87/30/17/775873017.db2.gz NZGISRCSPNKZMM-CYBMUJFWSA-N 1 1 303.359 -1.068 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107773543 775873028 /nfs/dbraw/zinc/87/30/28/775873028.db2.gz NZGISRCSPNKZMM-CYBMUJFWSA-N 1 1 303.359 -1.068 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107773265 775873795 /nfs/dbraw/zinc/87/37/95/775873795.db2.gz KZGWEGBOAFHTPM-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107773265 775873800 /nfs/dbraw/zinc/87/38/00/775873800.db2.gz KZGWEGBOAFHTPM-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832157 775877418 /nfs/dbraw/zinc/87/74/18/775877418.db2.gz SZTDCXONRGLSQI-ZWNOBZJWSA-N 1 1 303.359 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832157 775877426 /nfs/dbraw/zinc/87/74/26/775877426.db2.gz SZTDCXONRGLSQI-ZWNOBZJWSA-N 1 1 303.359 -1.924 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840023 775880415 /nfs/dbraw/zinc/88/04/15/775880415.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840023 775880424 /nfs/dbraw/zinc/88/04/24/775880424.db2.gz ZVXNDSNJKYOCFJ-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cncn2)C1 ZINC001089900831 775880569 /nfs/dbraw/zinc/88/05/69/775880569.db2.gz BQVFZAGNKGERPN-CYDGBPFRSA-N 1 1 318.381 -1.068 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccncc1 ZINC001127902551 775881231 /nfs/dbraw/zinc/88/12/31/775881231.db2.gz VAWLEDRMXCLTPW-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879255 775881510 /nfs/dbraw/zinc/88/15/10/775881510.db2.gz VKRHGIUUESNQKM-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879255 775881519 /nfs/dbraw/zinc/88/15/19/775881519.db2.gz VKRHGIUUESNQKM-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccncc1 ZINC001127901950 775882050 /nfs/dbraw/zinc/88/20/50/775882050.db2.gz GOFBNVPUYWGHMV-UHFFFAOYSA-N 1 1 318.341 -1.759 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2)C[N@H+](CCCO)CCO1 ZINC001107878834 775882097 /nfs/dbraw/zinc/88/20/97/775882097.db2.gz JPRCWRCMGNCPBK-OAHLLOKOSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2)C[N@@H+](CCCO)CCO1 ZINC001107878834 775882100 /nfs/dbraw/zinc/88/21/00/775882100.db2.gz JPRCWRCMGNCPBK-OAHLLOKOSA-N 1 1 315.414 -1.092 20 0 DAADMO CNC(=O)CC(=O)NC[C@]1(C)C[N@H+](C[C@@H](O)COC)CCO1 ZINC001107892218 775883623 /nfs/dbraw/zinc/88/36/23/775883623.db2.gz VHXKTRSKZGPGBV-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@]1(C)C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001107892218 775883632 /nfs/dbraw/zinc/88/36/32/775883632.db2.gz VHXKTRSKZGPGBV-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@@]1(C)C[N@H+](C[C@H](O)COC)CCO1 ZINC001107892219 775883787 /nfs/dbraw/zinc/88/37/87/775883787.db2.gz VHXKTRSKZGPGBV-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@@]1(C)C[N@@H+](C[C@H](O)COC)CCO1 ZINC001107892219 775883798 /nfs/dbraw/zinc/88/37/98/775883798.db2.gz VHXKTRSKZGPGBV-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2COC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001107912664 775884886 /nfs/dbraw/zinc/88/48/86/775884886.db2.gz KFAXKYZLANSPGG-GWCFXTLKSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2COC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001107912664 775884891 /nfs/dbraw/zinc/88/48/91/775884891.db2.gz KFAXKYZLANSPGG-GWCFXTLKSA-N 1 1 301.343 -1.316 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001107913391 775885828 /nfs/dbraw/zinc/88/58/28/775885828.db2.gz ZXAQTLLYWYIQJI-ZWNOBZJWSA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001107913391 775885838 /nfs/dbraw/zinc/88/58/38/775885838.db2.gz ZXAQTLLYWYIQJI-ZWNOBZJWSA-N 1 1 301.343 -1.052 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2COC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001107912665 775885900 /nfs/dbraw/zinc/88/59/00/775885900.db2.gz KFAXKYZLANSPGG-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2COC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001107912665 775885906 /nfs/dbraw/zinc/88/59/06/775885906.db2.gz KFAXKYZLANSPGG-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107920680 775886899 /nfs/dbraw/zinc/88/68/99/775886899.db2.gz YXOKPIZZNDXUEK-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107920680 775886905 /nfs/dbraw/zinc/88/69/05/775886905.db2.gz YXOKPIZZNDXUEK-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)NC(N)=O ZINC001107941707 775888200 /nfs/dbraw/zinc/88/82/00/775888200.db2.gz LNQRIQFZEYWUGR-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)NC(N)=O ZINC001107941707 775888218 /nfs/dbraw/zinc/88/82/18/775888218.db2.gz LNQRIQFZEYWUGR-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@]1(CNC(=O)CO[C@H]2CCOC2)C[N@H+](CCO)CCO1 ZINC001107943096 775888391 /nfs/dbraw/zinc/88/83/91/775888391.db2.gz ZZQQFSYRTFWNNR-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@]1(CNC(=O)CO[C@H]2CCOC2)C[N@@H+](CCO)CCO1 ZINC001107943096 775888398 /nfs/dbraw/zinc/88/83/98/775888398.db2.gz ZZQQFSYRTFWNNR-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO COCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107945681 775889143 /nfs/dbraw/zinc/88/91/43/775889143.db2.gz JVXDRDOZKBLUDN-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947435 775890107 /nfs/dbraw/zinc/89/01/07/775890107.db2.gz JSMMOQDFAKLVDM-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947435 775890116 /nfs/dbraw/zinc/89/01/16/775890116.db2.gz JSMMOQDFAKLVDM-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CNC(=O)c1ccoc1)c1nnnn1C ZINC001127952780 775890457 /nfs/dbraw/zinc/89/04/57/775890457.db2.gz ZTMOJYUPPKRMFJ-SECBINFHSA-N 1 1 321.341 -1.000 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212359172 775893807 /nfs/dbraw/zinc/89/38/07/775893807.db2.gz PEUUBGKMHKKOPP-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](OC)C1 ZINC001212361609 775894038 /nfs/dbraw/zinc/89/40/38/775894038.db2.gz XJMUIYKYLUYKGG-VXGBXAGGSA-N 1 1 317.386 -1.447 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212359191 775894132 /nfs/dbraw/zinc/89/41/32/775894132.db2.gz PYNAOCXZUSMPAQ-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107964052 775894314 /nfs/dbraw/zinc/89/43/14/775894314.db2.gz BRLCYNMNKHJTBR-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107964052 775894322 /nfs/dbraw/zinc/89/43/22/775894322.db2.gz BRLCYNMNKHJTBR-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001212359323 775895019 /nfs/dbraw/zinc/89/50/19/775895019.db2.gz XJBATRAAVLPFJD-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212361272 775895145 /nfs/dbraw/zinc/89/51/45/775895145.db2.gz FUYAHJSRULVLCC-QJPTWQEYSA-N 1 1 317.386 -1.713 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001212359051 775895432 /nfs/dbraw/zinc/89/54/32/775895432.db2.gz JHEQYOBLTBXRFV-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212363764 775896298 /nfs/dbraw/zinc/89/62/98/775896298.db2.gz KEKCGUGKDLTUSR-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 ZINC001127984760 775896880 /nfs/dbraw/zinc/89/68/80/775896880.db2.gz QEHIJUOGUWHFSF-SNVBAGLBSA-N 1 1 324.385 -1.289 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC)nn1 ZINC001127999832 775898040 /nfs/dbraw/zinc/89/80/40/775898040.db2.gz YWEHHDTUHDQVEZ-JTQLQIEISA-N 1 1 312.374 -1.345 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001127999356 775898095 /nfs/dbraw/zinc/89/80/95/775898095.db2.gz NWUVPHJBDPTSTB-NXEZZACHSA-N 1 1 312.374 -1.267 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1OC ZINC001212375901 775898886 /nfs/dbraw/zinc/89/88/86/775898886.db2.gz SHGPVFADXSHWIM-QJPTWQEYSA-N 1 1 316.402 -1.108 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001168606252 775899972 /nfs/dbraw/zinc/89/99/72/775899972.db2.gz FGILYJWXXVLDDP-UHFFFAOYSA-N 1 1 310.314 -1.474 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1cnsn1 ZINC001168607500 775900635 /nfs/dbraw/zinc/90/06/35/775900635.db2.gz UVYKUZFTWLMVHW-UHFFFAOYSA-N 1 1 312.355 -1.314 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089924143 775901312 /nfs/dbraw/zinc/90/13/12/775901312.db2.gz MDLZIVYWOJEITN-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107981732 775903341 /nfs/dbraw/zinc/90/33/41/775903341.db2.gz DSTUKYLPKZRDJU-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128033107 775903201 /nfs/dbraw/zinc/90/32/01/775903201.db2.gz QJFPNEVIOHKEIY-NXEZZACHSA-N 1 1 324.385 -1.291 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107981732 775903347 /nfs/dbraw/zinc/90/33/47/775903347.db2.gz DSTUKYLPKZRDJU-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO C[C@H](O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032113 775903413 /nfs/dbraw/zinc/90/34/13/775903413.db2.gz BAJGMZCCLUGMDB-DTWKUNHWSA-N 1 1 310.358 -1.945 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607315 775903485 /nfs/dbraw/zinc/90/34/85/775903485.db2.gz KYZDGVLZKLFNJM-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607315 775903488 /nfs/dbraw/zinc/90/34/88/775903488.db2.gz KYZDGVLZKLFNJM-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001107983260 775903719 /nfs/dbraw/zinc/90/37/19/775903719.db2.gz HZWOCSDPWDGGFR-HNNXBMFYSA-N 1 1 324.381 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001107983260 775903728 /nfs/dbraw/zinc/90/37/28/775903728.db2.gz HZWOCSDPWDGGFR-HNNXBMFYSA-N 1 1 324.381 -1.226 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099608101 775903929 /nfs/dbraw/zinc/90/39/29/775903929.db2.gz WFTWEAYMWOGUNS-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099608101 775903937 /nfs/dbraw/zinc/90/39/37/775903937.db2.gz WFTWEAYMWOGUNS-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099613322 775905528 /nfs/dbraw/zinc/90/55/28/775905528.db2.gz HEDAYXVCCNIUES-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099613322 775905542 /nfs/dbraw/zinc/90/55/42/775905542.db2.gz HEDAYXVCCNIUES-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099610195 775907122 /nfs/dbraw/zinc/90/71/22/775907122.db2.gz IBZONWBYGOQACG-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099610195 775907135 /nfs/dbraw/zinc/90/71/35/775907135.db2.gz IBZONWBYGOQACG-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099616863 775907821 /nfs/dbraw/zinc/90/78/21/775907821.db2.gz GDWRZAYZADAGCK-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099616863 775907831 /nfs/dbraw/zinc/90/78/31/775907831.db2.gz GDWRZAYZADAGCK-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099618107 775910222 /nfs/dbraw/zinc/91/02/22/775910222.db2.gz OLHJXOJPDHORAV-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099618107 775910231 /nfs/dbraw/zinc/91/02/31/775910231.db2.gz OLHJXOJPDHORAV-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099618104 775910722 /nfs/dbraw/zinc/91/07/22/775910722.db2.gz OLHJXOJPDHORAV-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099618104 775910730 /nfs/dbraw/zinc/91/07/30/775910730.db2.gz OLHJXOJPDHORAV-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099620938 775913759 /nfs/dbraw/zinc/91/37/59/775913759.db2.gz RSOPGTBKACQQEK-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099620937 775913900 /nfs/dbraw/zinc/91/39/00/775913900.db2.gz RSOPGTBKACQQEK-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099620936 775914329 /nfs/dbraw/zinc/91/43/29/775914329.db2.gz RSOPGTBKACQQEK-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955709 775920244 /nfs/dbraw/zinc/92/02/44/775920244.db2.gz DSMIHQSXCIOEFP-GHMZBOCLSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[N@H+]([C@@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955709 775920256 /nfs/dbraw/zinc/92/02/56/775920256.db2.gz DSMIHQSXCIOEFP-GHMZBOCLSA-N 1 1 324.381 -1.653 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099622778 775920677 /nfs/dbraw/zinc/92/06/77/775920677.db2.gz DCDFGHJLDLPJCC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099622778 775920685 /nfs/dbraw/zinc/92/06/85/775920685.db2.gz DCDFGHJLDLPJCC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO NC(=O)C[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001128127259 775923138 /nfs/dbraw/zinc/92/31/38/775923138.db2.gz ZGQHQXUXTANNBA-SNVBAGLBSA-N 1 1 320.353 -2.163 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](OC)C1 ZINC001212438974 775927797 /nfs/dbraw/zinc/92/77/97/775927797.db2.gz NBZXBFOCSKQNES-HBNTYKKESA-N 1 1 317.386 -1.679 20 0 DAADMO COCCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001287746352 775929546 /nfs/dbraw/zinc/92/95/46/775929546.db2.gz VDTJAAOSEPAKLH-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108041019 775930785 /nfs/dbraw/zinc/93/07/85/775930785.db2.gz ZKFFYRCKQHZACL-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108041019 775930793 /nfs/dbraw/zinc/93/07/93/775930793.db2.gz ZKFFYRCKQHZACL-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099644860 775930925 /nfs/dbraw/zinc/93/09/25/775930925.db2.gz KTUFXGRYCJCKQS-VXGBXAGGSA-N 1 1 312.374 -1.351 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040002 775930973 /nfs/dbraw/zinc/93/09/73/775930973.db2.gz IOXPZTPSOZAMSL-TVQRCGJNSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040002 775930984 /nfs/dbraw/zinc/93/09/84/775930984.db2.gz IOXPZTPSOZAMSL-TVQRCGJNSA-N 1 1 323.340 -1.044 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108041023 775931238 /nfs/dbraw/zinc/93/12/38/775931238.db2.gz ZKFFYRCKQHZACL-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108041023 775931245 /nfs/dbraw/zinc/93/12/45/775931245.db2.gz ZKFFYRCKQHZACL-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@@H](O)CN1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108044021 775932509 /nfs/dbraw/zinc/93/25/09/775932509.db2.gz PPSGESJUQDXGIV-GXFFZTMASA-N 1 1 313.358 -1.367 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645606 775933839 /nfs/dbraw/zinc/93/38/39/775933839.db2.gz VMZZHRYYHDQJAV-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089977745 775935997 /nfs/dbraw/zinc/93/59/97/775935997.db2.gz XYCFZJXANIQTGO-NEPJUHHUSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089977745 775936008 /nfs/dbraw/zinc/93/60/08/775936008.db2.gz XYCFZJXANIQTGO-NEPJUHHUSA-N 1 1 305.400 -1.407 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cccn2nnnc12 ZINC001128194334 775936235 /nfs/dbraw/zinc/93/62/35/775936235.db2.gz GKYLVMZCQPJJRW-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089982065 775937834 /nfs/dbraw/zinc/93/78/34/775937834.db2.gz VAGGUCVYYFKYQR-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089982065 775937838 /nfs/dbraw/zinc/93/78/38/775937838.db2.gz VAGGUCVYYFKYQR-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C(F)F ZINC001089990304 775944993 /nfs/dbraw/zinc/94/49/93/775944993.db2.gz PNOIAUJANMPCRN-SFYZADRCSA-N 1 1 320.296 -1.645 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001117274858 775947357 /nfs/dbraw/zinc/94/73/57/775947357.db2.gz LLAXBYNUWLDKER-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001089992640 775948299 /nfs/dbraw/zinc/94/82/99/775948299.db2.gz HFFZFQKAIYONJK-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108056048 775950390 /nfs/dbraw/zinc/95/03/90/775950390.db2.gz WDQXEGHQMWRTDU-HNNXBMFYSA-N 1 1 324.381 -1.063 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108056048 775950399 /nfs/dbraw/zinc/95/03/99/775950399.db2.gz WDQXEGHQMWRTDU-HNNXBMFYSA-N 1 1 324.381 -1.063 20 0 DAADMO NC(=O)C(=O)NCc1cnn2c1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC001128470476 775952490 /nfs/dbraw/zinc/95/24/90/775952490.db2.gz FWSMJDVUSIDDPM-JTQLQIEISA-N 1 1 307.354 -1.163 20 0 DAADMO NC(=O)C(=O)NCc1cnn2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001128470476 775952500 /nfs/dbraw/zinc/95/25/00/775952500.db2.gz FWSMJDVUSIDDPM-JTQLQIEISA-N 1 1 307.354 -1.163 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090031695 775954438 /nfs/dbraw/zinc/95/44/38/775954438.db2.gz OYNHFXGYEIOIIJ-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090031695 775954446 /nfs/dbraw/zinc/95/44/46/775954446.db2.gz OYNHFXGYEIOIIJ-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099650860 775955886 /nfs/dbraw/zinc/95/58/86/775955886.db2.gz LQVWBCNBPGEZSK-VHSXEESVSA-N 1 1 304.347 -2.785 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099650859 775956065 /nfs/dbraw/zinc/95/60/65/775956065.db2.gz LQVWBCNBPGEZSK-UWVGGRQHSA-N 1 1 304.347 -2.785 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090047394 775956950 /nfs/dbraw/zinc/95/69/50/775956950.db2.gz SRMMCOVIOFDMHD-OLZOCXBDSA-N 1 1 322.365 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090047394 775956959 /nfs/dbraw/zinc/95/69/59/775956959.db2.gz SRMMCOVIOFDMHD-OLZOCXBDSA-N 1 1 322.365 -1.427 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001090055675 775957948 /nfs/dbraw/zinc/95/79/48/775957948.db2.gz XCIFWQUULZRRSI-CHWSQXEVSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001090055557 775958638 /nfs/dbraw/zinc/95/86/38/775958638.db2.gz UWERCNVZMLHUAP-QWHCGFSZSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001090055678 775958851 /nfs/dbraw/zinc/95/88/51/775958851.db2.gz XCIFWQUULZRRSI-STQMWFEESA-N 1 1 324.385 -1.206 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056622 775960321 /nfs/dbraw/zinc/96/03/21/775960321.db2.gz HBGRFBCPPDZUCJ-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056622 775960331 /nfs/dbraw/zinc/96/03/31/775960331.db2.gz HBGRFBCPPDZUCJ-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090056886 775961671 /nfs/dbraw/zinc/96/16/71/775961671.db2.gz IPTWHWCVFILSCG-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090056886 775961679 /nfs/dbraw/zinc/96/16/79/775961679.db2.gz IPTWHWCVFILSCG-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090057156 775962138 /nfs/dbraw/zinc/96/21/38/775962138.db2.gz JTPRFUNDPFUBHC-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090057156 775962145 /nfs/dbraw/zinc/96/21/45/775962145.db2.gz JTPRFUNDPFUBHC-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001090058827 775963972 /nfs/dbraw/zinc/96/39/72/775963972.db2.gz VFCCUOWTFJOQFS-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001090058827 775963979 /nfs/dbraw/zinc/96/39/79/775963979.db2.gz VFCCUOWTFJOQFS-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC001090061849 775964586 /nfs/dbraw/zinc/96/45/86/775964586.db2.gz TYSJNEYXKUGWOB-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC001090061849 775964595 /nfs/dbraw/zinc/96/45/95/775964595.db2.gz TYSJNEYXKUGWOB-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC001117430110 775964884 /nfs/dbraw/zinc/96/48/84/775964884.db2.gz JWCBLJJTHBPMGS-UHFFFAOYSA-N 1 1 307.358 -1.477 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078359 775966934 /nfs/dbraw/zinc/96/69/34/775966934.db2.gz GRSJATXCLAMLGR-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078359 775966944 /nfs/dbraw/zinc/96/69/44/775966944.db2.gz GRSJATXCLAMLGR-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(=O)C3)C2)C1 ZINC001273024146 775967031 /nfs/dbraw/zinc/96/70/31/775967031.db2.gz NFVMZGZYAQFWQM-UHFFFAOYSA-N 1 1 322.409 -1.116 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)C3)C2)C1 ZINC001273024146 775967039 /nfs/dbraw/zinc/96/70/39/775967039.db2.gz NFVMZGZYAQFWQM-UHFFFAOYSA-N 1 1 322.409 -1.116 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@@H](O)C1 ZINC001083823071 775967361 /nfs/dbraw/zinc/96/73/61/775967361.db2.gz GDDRKOBEIYGSFW-OLZOCXBDSA-N 1 1 309.366 -1.036 20 0 DAADMO Cc1cnc2c(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cnn2c1 ZINC001083826846 775969012 /nfs/dbraw/zinc/96/90/12/775969012.db2.gz MWCUMPDSOXDINV-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1cnc2c(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnn2c1 ZINC001083826846 775969023 /nfs/dbraw/zinc/96/90/23/775969023.db2.gz MWCUMPDSOXDINV-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033096194 775970199 /nfs/dbraw/zinc/97/01/99/775970199.db2.gz KSPIYNITBRJYBP-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC[C@@H]1CCCO1 ZINC001168731868 775971177 /nfs/dbraw/zinc/97/11/77/775971177.db2.gz RRJXCDSBDAUIPV-JTQLQIEISA-N 1 1 310.358 -1.191 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC[C@@H]1CCCO1 ZINC001168731868 775971186 /nfs/dbraw/zinc/97/11/86/775971186.db2.gz RRJXCDSBDAUIPV-JTQLQIEISA-N 1 1 310.358 -1.191 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095591 775971343 /nfs/dbraw/zinc/97/13/43/775971343.db2.gz BMRRXTLUVOISOH-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083828574 775971470 /nfs/dbraw/zinc/97/14/70/775971470.db2.gz ZDRCHGZSEFFELX-MNOVXSKESA-N 1 1 310.354 -1.731 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](O)C1 ZINC001083829729 775973221 /nfs/dbraw/zinc/97/32/21/775973221.db2.gz CRPGJZJFIHTFJI-PWSUYJOCSA-N 1 1 320.353 -1.538 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001083837908 775974678 /nfs/dbraw/zinc/97/46/78/775974678.db2.gz WEUGEACFGXUXFO-OLZOCXBDSA-N 1 1 313.398 -1.211 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083837908 775974687 /nfs/dbraw/zinc/97/46/87/775974687.db2.gz WEUGEACFGXUXFO-OLZOCXBDSA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 ZINC001108074973 775976068 /nfs/dbraw/zinc/97/60/68/775976068.db2.gz RALROONEQJCYOG-AWEZNQCLSA-N 1 1 309.370 -1.116 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069557 775976731 /nfs/dbraw/zinc/97/67/31/775976731.db2.gz JWPIZNKYFYBCHO-GFCCVEGCSA-N 1 1 310.398 -1.572 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069557 775976743 /nfs/dbraw/zinc/97/67/43/775976743.db2.gz JWPIZNKYFYBCHO-GFCCVEGCSA-N 1 1 310.398 -1.572 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CC[C@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069055 775976796 /nfs/dbraw/zinc/97/67/96/775976796.db2.gz FZOBJPZSSKPBGW-XJKSGUPXSA-N 1 1 324.425 -1.134 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273069672 775977751 /nfs/dbraw/zinc/97/77/51/775977751.db2.gz MGZLCZIKDNMEGF-IHRRRGAJSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273070136 775978036 /nfs/dbraw/zinc/97/80/36/775978036.db2.gz SINKLHWQZYWGTE-GFCCVEGCSA-N 1 1 310.398 -1.715 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CC[C@@H](O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273069053 775978314 /nfs/dbraw/zinc/97/83/14/775978314.db2.gz FZOBJPZSSKPBGW-CZUORRHYSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1C(F)(F)F ZINC001083843729 775978872 /nfs/dbraw/zinc/97/88/72/775978872.db2.gz VURNNSFLXOAFLU-RQJHMYQMSA-N 1 1 323.275 -1.399 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C(F)(F)F ZINC001083843729 775978879 /nfs/dbraw/zinc/97/88/79/775978879.db2.gz VURNNSFLXOAFLU-RQJHMYQMSA-N 1 1 323.275 -1.399 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3cccnn32)[C@@H](O)C1 ZINC001083841771 775979510 /nfs/dbraw/zinc/97/95/10/775979510.db2.gz KPNJAAFPGZVROL-UMNHJUIQSA-N 1 1 305.338 -1.115 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083844939 775980436 /nfs/dbraw/zinc/98/04/36/775980436.db2.gz AONGDRFNGWZEPV-MXWKQRLJSA-N 1 1 312.374 -1.661 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c1 ZINC001090106862 775981663 /nfs/dbraw/zinc/98/16/63/775981663.db2.gz FWCOHOHKDCGGMZ-NWDGAFQWSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnns1 ZINC001090112581 775983818 /nfs/dbraw/zinc/98/38/18/775983818.db2.gz QTUGEGIOIZSWEH-UWVGGRQHSA-N 1 1 323.382 -1.005 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC[N@H+](CCN(C)C)C2)OCC1=O ZINC001273107770 775984523 /nfs/dbraw/zinc/98/45/23/775984523.db2.gz IUHYAMBVRANCER-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC[N@@H+](CCN(C)C)C2)OCC1=O ZINC001273107770 775984528 /nfs/dbraw/zinc/98/45/28/775984528.db2.gz IUHYAMBVRANCER-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccon1 ZINC001090112413 775984703 /nfs/dbraw/zinc/98/47/03/775984703.db2.gz PKNKESLZXRFLEE-PWSUYJOCSA-N 1 1 323.353 -1.135 20 0 DAADMO CC(C)COCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665276 775986406 /nfs/dbraw/zinc/98/64/06/775986406.db2.gz DONAAYOXWDFDFT-NWDGAFQWSA-N 1 1 316.402 -1.121 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099665082 775986440 /nfs/dbraw/zinc/98/64/40/775986440.db2.gz ABLVNULVCZRHTD-ZJUUUORDSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099665082 775986448 /nfs/dbraw/zinc/98/64/48/775986448.db2.gz ABLVNULVCZRHTD-ZJUUUORDSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099665080 775986616 /nfs/dbraw/zinc/98/66/16/775986616.db2.gz ABLVNULVCZRHTD-UWVGGRQHSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099665080 775986622 /nfs/dbraw/zinc/98/66/22/775986622.db2.gz ABLVNULVCZRHTD-UWVGGRQHSA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)on1 ZINC001099666215 775987987 /nfs/dbraw/zinc/98/79/87/775987987.db2.gz RSSXMHCMWPDTTQ-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)on1 ZINC001099666215 775987990 /nfs/dbraw/zinc/98/79/90/775987990.db2.gz RSSXMHCMWPDTTQ-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)S1(=O)=O ZINC001083853051 775990575 /nfs/dbraw/zinc/99/05/75/775990575.db2.gz ZLQUNNRVSTYETD-OUAUKWLOSA-N 1 1 323.390 -1.459 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)S1(=O)=O ZINC001083853051 775990583 /nfs/dbraw/zinc/99/05/83/775990583.db2.gz ZLQUNNRVSTYETD-OUAUKWLOSA-N 1 1 323.390 -1.459 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853315 775991575 /nfs/dbraw/zinc/99/15/75/775991575.db2.gz NMGSGJNEVXULJE-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001128594283 775993391 /nfs/dbraw/zinc/99/33/91/775993391.db2.gz BCEPQTMABSEJCR-MRVPVSSYSA-N 1 1 319.391 -2.084 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)s1 ZINC001128601478 775993882 /nfs/dbraw/zinc/99/38/82/775993882.db2.gz UKTFBIJFHBANME-UHFFFAOYSA-N 1 1 321.428 -1.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001128595344 775994538 /nfs/dbraw/zinc/99/45/38/775994538.db2.gz YKKITRXCTMBBCU-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601567 775995265 /nfs/dbraw/zinc/99/52/65/775995265.db2.gz YRWGFEXIBLEZMK-UHFFFAOYSA-N 1 1 305.364 -2.645 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)nc1 ZINC001128604402 775997691 /nfs/dbraw/zinc/99/76/91/775997691.db2.gz YDTUJTLJHPZOJL-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)nn1 ZINC001128603426 775997711 /nfs/dbraw/zinc/99/77/11/775997711.db2.gz HSSOQDBGGFIVEA-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCNS(C)(=O)=O)c1nnnn1C ZINC001128603756 775997726 /nfs/dbraw/zinc/99/77/26/775997726.db2.gz MZPUGQLHPQDBJF-QMMMGPOBSA-N 1 1 319.391 -2.084 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001128608929 775998707 /nfs/dbraw/zinc/99/87/07/775998707.db2.gz GYTJNWWEFLWCFP-MRVPVSSYSA-N 1 1 318.403 -1.181 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001090136342 775999711 /nfs/dbraw/zinc/99/97/11/775999711.db2.gz DTPCULUGLIUGHP-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001090136342 775999722 /nfs/dbraw/zinc/99/97/22/775999722.db2.gz DTPCULUGLIUGHP-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001128618853 776000953 /nfs/dbraw/zinc/00/09/53/776000953.db2.gz CDCIMKNJRZPYPR-UHFFFAOYSA-N 1 1 324.385 -1.007 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001128619262 776001005 /nfs/dbraw/zinc/00/10/05/776001005.db2.gz QKDOLJMKBOSPNQ-VIFPVBQESA-N 1 1 312.374 -1.015 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001128619567 776001179 /nfs/dbraw/zinc/00/11/79/776001179.db2.gz ZWLLYBWLHMYHJY-JTQLQIEISA-N 1 1 312.374 -1.313 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN(C)C(=O)COC ZINC001128619563 776001738 /nfs/dbraw/zinc/00/17/38/776001738.db2.gz ZTAMQDFOPIXWRY-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CC1=O ZINC001128649709 776004432 /nfs/dbraw/zinc/00/44/32/776004432.db2.gz GGPOTRIEZRVJQL-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128652967 776004621 /nfs/dbraw/zinc/00/46/21/776004621.db2.gz SXCBVCOSSHUCEY-UHTWSYAYSA-N 1 1 324.385 -1.473 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)CC1=O ZINC001128658001 776004682 /nfs/dbraw/zinc/00/46/82/776004682.db2.gz QYBDFMWTSJBKNH-LLVKDONJSA-N 1 1 324.385 -1.186 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)CC1=O ZINC001128658002 776005171 /nfs/dbraw/zinc/00/51/71/776005171.db2.gz QYBDFMWTSJBKNH-NSHDSACASA-N 1 1 324.385 -1.186 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128652627 776005533 /nfs/dbraw/zinc/00/55/33/776005533.db2.gz MXAGJJPDPJUMJO-WCQGTBRESA-N 1 1 310.358 -1.864 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128652627 776005539 /nfs/dbraw/zinc/00/55/39/776005539.db2.gz MXAGJJPDPJUMJO-WCQGTBRESA-N 1 1 310.358 -1.864 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681544 776009179 /nfs/dbraw/zinc/00/91/79/776009179.db2.gz DPUXBCMVQPLFMO-BBBLOLIVSA-N 1 1 311.346 -2.331 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681448 776009904 /nfs/dbraw/zinc/00/99/04/776009904.db2.gz ABIRVMLIGUKAGH-MNOVXSKESA-N 1 1 309.374 -1.056 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001128720430 776011176 /nfs/dbraw/zinc/01/11/76/776011176.db2.gz MRNDWSYCVCLHPV-BDAKNGLRSA-N 1 1 323.357 -1.486 20 0 DAADMO C[C@H](C(=O)NCC[NH2+][C@@H](C)c1nnnn1C)N1C(=O)CCC1=O ZINC001128720431 776011206 /nfs/dbraw/zinc/01/12/06/776011206.db2.gz MRNDWSYCVCLHPV-DTWKUNHWSA-N 1 1 323.357 -1.486 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128731507 776014054 /nfs/dbraw/zinc/01/40/54/776014054.db2.gz RJALYACTFSYQBV-UHTWSYAYSA-N 1 1 324.385 -1.521 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(-n2ccnc2)nn1 ZINC001083858088 776015129 /nfs/dbraw/zinc/01/51/29/776015129.db2.gz KIUGEHBCNPCKFX-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2ccnc2)nn1 ZINC001083858088 776015135 /nfs/dbraw/zinc/01/51/35/776015135.db2.gz KIUGEHBCNPCKFX-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083856282 776015492 /nfs/dbraw/zinc/01/54/92/776015492.db2.gz SXXRGAWRKMXYIC-XQQFMLRXSA-N 1 1 321.381 -1.287 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCCN1C(=O)CCC1=O ZINC001128753709 776015517 /nfs/dbraw/zinc/01/55/17/776015517.db2.gz XGJFMJUUUWJGNT-UHFFFAOYSA-N 1 1 322.369 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128731884 776015591 /nfs/dbraw/zinc/01/55/91/776015591.db2.gz ULTRAQMXCMXNMO-OLZOCXBDSA-N 1 1 324.385 -1.520 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083856281 776015648 /nfs/dbraw/zinc/01/56/48/776015648.db2.gz SXXRGAWRKMXYIC-UPJWGTAASA-N 1 1 321.381 -1.287 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)[nH]1 ZINC001128764096 776016668 /nfs/dbraw/zinc/01/66/68/776016668.db2.gz RASUROSRDZYDEJ-UHFFFAOYSA-N 1 1 321.341 -2.120 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763860 776017704 /nfs/dbraw/zinc/01/77/04/776017704.db2.gz KAWLLZLWZDCDNF-UHFFFAOYSA-N 1 1 321.341 -2.419 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001128763746 776018084 /nfs/dbraw/zinc/01/80/84/776018084.db2.gz IRLFBNQLPXRSQG-UHFFFAOYSA-N 1 1 321.341 -2.419 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157484 776018812 /nfs/dbraw/zinc/01/88/12/776018812.db2.gz ARTWNFQJMBFCGB-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157484 776018823 /nfs/dbraw/zinc/01/88/23/776018823.db2.gz ARTWNFQJMBFCGB-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858830 776018991 /nfs/dbraw/zinc/01/89/91/776018991.db2.gz UVHACGHMFIEYRD-AXFHLTTASA-N 1 1 315.345 -1.051 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858830 776018993 /nfs/dbraw/zinc/01/89/93/776018993.db2.gz UVHACGHMFIEYRD-AXFHLTTASA-N 1 1 315.345 -1.051 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090148918 776019042 /nfs/dbraw/zinc/01/90/42/776019042.db2.gz KFXGFPWSKJJBPF-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090148918 776019049 /nfs/dbraw/zinc/01/90/49/776019049.db2.gz KFXGFPWSKJJBPF-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858807 776019572 /nfs/dbraw/zinc/01/95/72/776019572.db2.gz TWFIKDIMWACSAC-IEBDPFPHSA-N 1 1 315.345 -1.051 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090153963 776019733 /nfs/dbraw/zinc/01/97/33/776019733.db2.gz CAVIALLNVMCVRJ-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090153963 776019742 /nfs/dbraw/zinc/01/97/42/776019742.db2.gz CAVIALLNVMCVRJ-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157483 776019908 /nfs/dbraw/zinc/01/99/08/776019908.db2.gz ARTWNFQJMBFCGB-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157483 776019918 /nfs/dbraw/zinc/01/99/18/776019918.db2.gz ARTWNFQJMBFCGB-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099671501 776020117 /nfs/dbraw/zinc/02/01/17/776020117.db2.gz JJVSKBRBNPUUEX-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099671501 776020126 /nfs/dbraw/zinc/02/01/26/776020126.db2.gz JJVSKBRBNPUUEX-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001128789812 776021568 /nfs/dbraw/zinc/02/15/68/776021568.db2.gz MFBDPYIBBAZOQE-UHFFFAOYSA-N 1 1 309.374 -1.251 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090159392 776022054 /nfs/dbraw/zinc/02/20/54/776022054.db2.gz TVYDHNRHOPXGMJ-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001128790757 776023895 /nfs/dbraw/zinc/02/38/95/776023895.db2.gz ZMRYFKRKDXWJJC-QMMMGPOBSA-N 1 1 310.362 -1.296 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814756 776025672 /nfs/dbraw/zinc/02/56/72/776025672.db2.gz WDFNBTMNFNZABF-UHFFFAOYSA-N 1 1 316.387 -1.944 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)[nH]1 ZINC001128823769 776027151 /nfs/dbraw/zinc/02/71/51/776027151.db2.gz XUNOXCLGNSPZAP-UHFFFAOYSA-N 1 1 316.387 -1.646 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128860436 776029605 /nfs/dbraw/zinc/02/96/05/776029605.db2.gz DJKCEEFYAIWYND-TUAOUCFPSA-N 1 1 322.369 -1.469 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119294 776029903 /nfs/dbraw/zinc/02/99/03/776029903.db2.gz KUEQPYKWHZPUAD-FZMZJTMJSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119294 776029912 /nfs/dbraw/zinc/02/99/12/776029912.db2.gz KUEQPYKWHZPUAD-FZMZJTMJSA-N 1 1 314.386 -1.137 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860792 776030154 /nfs/dbraw/zinc/03/01/54/776030154.db2.gz NWPLZNUPISQFER-MXWKQRLJSA-N 1 1 310.358 -1.470 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)NC1=O ZINC001108120015 776031372 /nfs/dbraw/zinc/03/13/72/776031372.db2.gz VJMOGMNLJMPHNT-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)NC1=O ZINC001108120015 776031380 /nfs/dbraw/zinc/03/13/80/776031380.db2.gz VJMOGMNLJMPHNT-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090197835 776032940 /nfs/dbraw/zinc/03/29/40/776032940.db2.gz QJTSKOVIBCMVEV-NXEZZACHSA-N 1 1 301.322 -1.105 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090204100 776033693 /nfs/dbraw/zinc/03/36/93/776033693.db2.gz MTNMWYMVZZNXDJ-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128929124 776035943 /nfs/dbraw/zinc/03/59/43/776035943.db2.gz CTYGHGZOOVAIOL-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128929124 776035945 /nfs/dbraw/zinc/03/59/45/776035945.db2.gz CTYGHGZOOVAIOL-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001128939141 776036729 /nfs/dbraw/zinc/03/67/29/776036729.db2.gz HLZJDVHMQSUCRQ-MNOVXSKESA-N 1 1 310.358 -1.598 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001128944963 776036944 /nfs/dbraw/zinc/03/69/44/776036944.db2.gz MEVJOFQZVYJKSL-UTUOFQBUSA-N 1 1 324.385 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213349 776038061 /nfs/dbraw/zinc/03/80/61/776038061.db2.gz IRQIYIZNCZTPLW-STQMWFEESA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213349 776038072 /nfs/dbraw/zinc/03/80/72/776038072.db2.gz IRQIYIZNCZTPLW-STQMWFEESA-N 1 1 311.382 -1.027 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128967729 776038353 /nfs/dbraw/zinc/03/83/53/776038353.db2.gz ZCQMVXOFZLAZRS-UHFFFAOYSA-N 1 1 322.369 -1.010 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001090217703 776039269 /nfs/dbraw/zinc/03/92/69/776039269.db2.gz RMVWHIWEYWGBLB-WDEREUQCSA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001090217703 776039274 /nfs/dbraw/zinc/03/92/74/776039274.db2.gz RMVWHIWEYWGBLB-WDEREUQCSA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090227001 776040262 /nfs/dbraw/zinc/04/02/62/776040262.db2.gz FSNLDJVTGMAOBK-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090227001 776040264 /nfs/dbraw/zinc/04/02/64/776040264.db2.gz FSNLDJVTGMAOBK-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090227000 776041496 /nfs/dbraw/zinc/04/14/96/776041496.db2.gz FSNLDJVTGMAOBK-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090227000 776041502 /nfs/dbraw/zinc/04/15/02/776041502.db2.gz FSNLDJVTGMAOBK-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090227335 776041519 /nfs/dbraw/zinc/04/15/19/776041519.db2.gz LBOCXUPZXNGUIP-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001090228876 776042703 /nfs/dbraw/zinc/04/27/03/776042703.db2.gz ULQRWSYEOVKLGE-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001090228876 776042707 /nfs/dbraw/zinc/04/27/07/776042707.db2.gz ULQRWSYEOVKLGE-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ncc[nH]1 ZINC001090238175 776042842 /nfs/dbraw/zinc/04/28/42/776042842.db2.gz VFOJWUIJXGOTOA-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090236901 776043279 /nfs/dbraw/zinc/04/32/79/776043279.db2.gz KIGKKURAIWUZAO-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090246828 776046426 /nfs/dbraw/zinc/04/64/26/776046426.db2.gz OMLGYAJKTNLISI-MNOVXSKESA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC001090246324 776046816 /nfs/dbraw/zinc/04/68/16/776046816.db2.gz JMJKHWJOLMQBAC-NWDGAFQWSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC001090246324 776046824 /nfs/dbraw/zinc/04/68/24/776046824.db2.gz JMJKHWJOLMQBAC-NWDGAFQWSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090242514 776047307 /nfs/dbraw/zinc/04/73/07/776047307.db2.gz YTGRIXMUSVCEJZ-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cn1 ZINC001090242514 776047310 /nfs/dbraw/zinc/04/73/10/776047310.db2.gz YTGRIXMUSVCEJZ-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090246829 776047524 /nfs/dbraw/zinc/04/75/24/776047524.db2.gz OMLGYAJKTNLISI-QWRGUYRKSA-N 1 1 320.357 -1.728 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090251669 776049155 /nfs/dbraw/zinc/04/91/55/776049155.db2.gz KBPXXIFZKCOZKI-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090251669 776049161 /nfs/dbraw/zinc/04/91/61/776049161.db2.gz KBPXXIFZKCOZKI-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1 ZINC001129037894 776050350 /nfs/dbraw/zinc/05/03/50/776050350.db2.gz FANLXWIIAWZLKB-MNOVXSKESA-N 1 1 309.374 -1.043 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001114997342 776050705 /nfs/dbraw/zinc/05/07/05/776050705.db2.gz JNKQEWDUXCHONM-MBTKJCJQSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001114997342 776050711 /nfs/dbraw/zinc/05/07/11/776050711.db2.gz JNKQEWDUXCHONM-MBTKJCJQSA-N 1 1 304.310 -1.669 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129043212 776051059 /nfs/dbraw/zinc/05/10/59/776051059.db2.gz MZBSPVBISHJNEA-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129043212 776051067 /nfs/dbraw/zinc/05/10/67/776051067.db2.gz MZBSPVBISHJNEA-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153766 776052251 /nfs/dbraw/zinc/05/22/51/776052251.db2.gz FSKCVGWTZFGCRS-UTUOFQBUSA-N 1 1 324.385 -1.223 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129153766 776052257 /nfs/dbraw/zinc/05/22/57/776052257.db2.gz FSKCVGWTZFGCRS-UTUOFQBUSA-N 1 1 324.385 -1.223 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129060537 776052477 /nfs/dbraw/zinc/05/24/77/776052477.db2.gz UFAMHBPVLUQTPT-ZJUUUORDSA-N 1 1 310.358 -1.877 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129060537 776052481 /nfs/dbraw/zinc/05/24/81/776052481.db2.gz UFAMHBPVLUQTPT-ZJUUUORDSA-N 1 1 310.358 -1.877 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129060556 776052496 /nfs/dbraw/zinc/05/24/96/776052496.db2.gz UJSUQGFEJMECSD-MNOVXSKESA-N 1 1 324.385 -1.223 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129060556 776052499 /nfs/dbraw/zinc/05/24/99/776052499.db2.gz UJSUQGFEJMECSD-MNOVXSKESA-N 1 1 324.385 -1.223 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129139490 776052892 /nfs/dbraw/zinc/05/28/92/776052892.db2.gz LALILBDPJFEIDA-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129139490 776052895 /nfs/dbraw/zinc/05/28/95/776052895.db2.gz LALILBDPJFEIDA-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210385 776054191 /nfs/dbraw/zinc/05/41/91/776054191.db2.gz SQCDMWNHKCSSTR-AEJSXWLSSA-N 1 1 312.330 -2.888 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210385 776054193 /nfs/dbraw/zinc/05/41/93/776054193.db2.gz SQCDMWNHKCSSTR-AEJSXWLSSA-N 1 1 312.330 -2.888 20 0 DAADMO CO[C@@H]1COCC[C@@H]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001129213038 776054318 /nfs/dbraw/zinc/05/43/18/776054318.db2.gz LCCMJKCKDLJDIG-GHMZBOCLSA-N 1 1 312.374 -1.143 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129219197 776054365 /nfs/dbraw/zinc/05/43/65/776054365.db2.gz AFEKLEMJPRAYGS-OLZOCXBDSA-N 1 1 310.402 -1.046 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1 ZINC001129219197 776054369 /nfs/dbraw/zinc/05/43/69/776054369.db2.gz AFEKLEMJPRAYGS-OLZOCXBDSA-N 1 1 310.402 -1.046 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210388 776054692 /nfs/dbraw/zinc/05/46/92/776054692.db2.gz SQCDMWNHKCSSTR-BBBLOLIVSA-N 1 1 312.330 -2.888 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210388 776054699 /nfs/dbraw/zinc/05/46/99/776054699.db2.gz SQCDMWNHKCSSTR-BBBLOLIVSA-N 1 1 312.330 -2.888 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001083868952 776056292 /nfs/dbraw/zinc/05/62/92/776056292.db2.gz GLSJCVKDLHKAJP-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1)c1nnnn1C ZINC001129254639 776056818 /nfs/dbraw/zinc/05/68/18/776056818.db2.gz BPLZPQVWJFLWPZ-VHSXEESVSA-N 1 1 309.374 -1.107 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869317 776057008 /nfs/dbraw/zinc/05/70/08/776057008.db2.gz YTWYYPKRNGTGSI-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869317 776057013 /nfs/dbraw/zinc/05/70/13/776057013.db2.gz YTWYYPKRNGTGSI-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869316 776057132 /nfs/dbraw/zinc/05/71/32/776057132.db2.gz YTWYYPKRNGTGSI-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869316 776057137 /nfs/dbraw/zinc/05/71/37/776057137.db2.gz YTWYYPKRNGTGSI-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090260945 776058682 /nfs/dbraw/zinc/05/86/82/776058682.db2.gz LSZPRUPFBIEAIK-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090260945 776058685 /nfs/dbraw/zinc/05/86/85/776058685.db2.gz LSZPRUPFBIEAIK-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108167722 776060274 /nfs/dbraw/zinc/06/02/74/776060274.db2.gz PDBJIFRCXTZIKY-MFKMUULPSA-N 1 1 300.359 -1.479 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108167722 776060277 /nfs/dbraw/zinc/06/02/77/776060277.db2.gz PDBJIFRCXTZIKY-MFKMUULPSA-N 1 1 300.359 -1.479 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CNC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001108168486 776062113 /nfs/dbraw/zinc/06/21/13/776062113.db2.gz BGRSTYPROCWVOQ-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CNC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001108168486 776062119 /nfs/dbraw/zinc/06/21/19/776062119.db2.gz BGRSTYPROCWVOQ-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001090267303 776063451 /nfs/dbraw/zinc/06/34/51/776063451.db2.gz APUHZNYBCMJCQF-WDEREUQCSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001090267303 776063455 /nfs/dbraw/zinc/06/34/55/776063455.db2.gz APUHZNYBCMJCQF-WDEREUQCSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001090267299 776063757 /nfs/dbraw/zinc/06/37/57/776063757.db2.gz APUHZNYBCMJCQF-MNOVXSKESA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001090267299 776063761 /nfs/dbraw/zinc/06/37/61/776063761.db2.gz APUHZNYBCMJCQF-MNOVXSKESA-N 1 1 323.382 -1.119 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267524 776064342 /nfs/dbraw/zinc/06/43/42/776064342.db2.gz BUVJFZWVKGNYGW-UWVGGRQHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267524 776064353 /nfs/dbraw/zinc/06/43/53/776064353.db2.gz BUVJFZWVKGNYGW-UWVGGRQHSA-N 1 1 311.346 -2.687 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268022 776065353 /nfs/dbraw/zinc/06/53/53/776065353.db2.gz FYHZQRPOCQBMFR-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268022 776065358 /nfs/dbraw/zinc/06/53/58/776065358.db2.gz FYHZQRPOCQBMFR-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090268122 776065386 /nfs/dbraw/zinc/06/53/86/776065386.db2.gz GXLZTQWYMFWKJA-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 ZINC001083879037 776070123 /nfs/dbraw/zinc/07/01/23/776070123.db2.gz UKHMYFBJCXTZMU-WCQGTBRESA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 ZINC001083879037 776070128 /nfs/dbraw/zinc/07/01/28/776070128.db2.gz UKHMYFBJCXTZMU-WCQGTBRESA-N 1 1 305.338 -1.115 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090270643 776070445 /nfs/dbraw/zinc/07/04/45/776070445.db2.gz YJVYAFBYPVYQLF-JQWIXIFHSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001108175082 776072058 /nfs/dbraw/zinc/07/20/58/776072058.db2.gz PFDRFRFOJMSXJS-QMTHXVAHSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001108175082 776072061 /nfs/dbraw/zinc/07/20/61/776072061.db2.gz PFDRFRFOJMSXJS-QMTHXVAHSA-N 1 1 322.369 -1.542 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099689685 776074335 /nfs/dbraw/zinc/07/43/35/776074335.db2.gz HQENYUJRJOBVCO-OLZOCXBDSA-N 1 1 317.386 -1.975 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099689687 776075635 /nfs/dbraw/zinc/07/56/35/776075635.db2.gz HQENYUJRJOBVCO-QWHCGFSZSA-N 1 1 317.386 -1.975 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090279303 776076363 /nfs/dbraw/zinc/07/63/63/776076363.db2.gz KJQFILBPPZXTFP-NXEZZACHSA-N 1 1 312.374 -1.415 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)n1 ZINC001090277755 776076672 /nfs/dbraw/zinc/07/66/72/776076672.db2.gz YBOGFWGXYXIENM-GHMZBOCLSA-N 1 1 322.369 -1.662 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090277984 776076712 /nfs/dbraw/zinc/07/67/12/776076712.db2.gz ZNLFSDQBKMAAMX-BDAKNGLRSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090277984 776076717 /nfs/dbraw/zinc/07/67/17/776076717.db2.gz ZNLFSDQBKMAAMX-BDAKNGLRSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)n1 ZINC001090277994 776076929 /nfs/dbraw/zinc/07/69/29/776076929.db2.gz ZNLFSDQBKMAAMX-IUCAKERBSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)n1 ZINC001090277994 776076933 /nfs/dbraw/zinc/07/69/33/776076933.db2.gz ZNLFSDQBKMAAMX-IUCAKERBSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090277562 776077212 /nfs/dbraw/zinc/07/72/12/776077212.db2.gz VZXGLYVZVFMHSO-DTWKUNHWSA-N 1 1 312.330 -3.079 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090279309 776077352 /nfs/dbraw/zinc/07/73/52/776077352.db2.gz KJQFILBPPZXTFP-ZJUUUORDSA-N 1 1 312.374 -1.415 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090277560 776077519 /nfs/dbraw/zinc/07/75/19/776077519.db2.gz VZXGLYVZVFMHSO-BDAKNGLRSA-N 1 1 312.330 -3.079 20 0 DAADMO CC1(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001090284714 776078922 /nfs/dbraw/zinc/07/89/22/776078922.db2.gz XIWCUAUXSDIHSK-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891254 776080379 /nfs/dbraw/zinc/08/03/79/776080379.db2.gz BMZZOTQMCYTLFC-UTUOFQBUSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891254 776080388 /nfs/dbraw/zinc/08/03/88/776080388.db2.gz BMZZOTQMCYTLFC-UTUOFQBUSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001129296708 776082261 /nfs/dbraw/zinc/08/22/61/776082261.db2.gz DSKGIDYENBWSTR-SECBINFHSA-N 1 1 307.358 -1.260 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083891644 776082494 /nfs/dbraw/zinc/08/24/94/776082494.db2.gz WPQHQRIXDUHTKZ-MNOVXSKESA-N 1 1 322.369 -1.861 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083891644 776082500 /nfs/dbraw/zinc/08/25/00/776082500.db2.gz WPQHQRIXDUHTKZ-MNOVXSKESA-N 1 1 322.369 -1.861 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(=O)n1 ZINC001083894592 776083048 /nfs/dbraw/zinc/08/30/48/776083048.db2.gz NADWLXVAYYSGPB-UPJWGTAASA-N 1 1 324.381 -1.598 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)n1 ZINC001083894719 776084463 /nfs/dbraw/zinc/08/44/63/776084463.db2.gz UGGSXNQIBXIXKA-NEPJUHHUSA-N 1 1 310.354 -1.986 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC001083899060 776086969 /nfs/dbraw/zinc/08/69/69/776086969.db2.gz PXJMRWHTEZISAM-YPMHNXCESA-N 1 1 309.370 -1.155 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294497 776088988 /nfs/dbraw/zinc/08/89/88/776088988.db2.gz YSOVTZMKWLUTEI-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cccn2nnnc12 ZINC001090294133 776090384 /nfs/dbraw/zinc/09/03/84/776090384.db2.gz BCYWOQVTZWVFCP-NWDGAFQWSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090297081 776090934 /nfs/dbraw/zinc/09/09/34/776090934.db2.gz GCEIWNQXJOSVMK-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090297081 776090943 /nfs/dbraw/zinc/09/09/43/776090943.db2.gz GCEIWNQXJOSVMK-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001090311928 776092509 /nfs/dbraw/zinc/09/25/09/776092509.db2.gz AXLUOQGGUGNUER-GZMMTYOYSA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC001090311929 776092574 /nfs/dbraw/zinc/09/25/74/776092574.db2.gz AXLUOQGGUGNUER-KCJUWKMLSA-N 1 1 306.326 -1.490 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298532 776092643 /nfs/dbraw/zinc/09/26/43/776092643.db2.gz QGHVZVJMXOFPIZ-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298532 776092646 /nfs/dbraw/zinc/09/26/46/776092646.db2.gz QGHVZVJMXOFPIZ-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090307508 776092826 /nfs/dbraw/zinc/09/28/26/776092826.db2.gz ASWGMZZLQWLOEG-MNOVXSKESA-N 1 1 323.390 -1.457 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090307508 776092828 /nfs/dbraw/zinc/09/28/28/776092828.db2.gz ASWGMZZLQWLOEG-MNOVXSKESA-N 1 1 323.390 -1.457 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298955 776093311 /nfs/dbraw/zinc/09/33/11/776093311.db2.gz UJMRGARQNCYVEH-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298955 776093321 /nfs/dbraw/zinc/09/33/21/776093321.db2.gz UJMRGARQNCYVEH-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090310429 776095180 /nfs/dbraw/zinc/09/51/80/776095180.db2.gz MMYXCOMEVUUJGV-RYUDHWBXSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001090312793 776095228 /nfs/dbraw/zinc/09/52/28/776095228.db2.gz LPAYVWGVYAPTDM-BXKDBHETSA-N 1 1 320.353 -1.100 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090310951 776095968 /nfs/dbraw/zinc/09/59/68/776095968.db2.gz OPQLIQDWYOCRNS-NWDGAFQWSA-N 1 1 310.354 -1.049 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083919018 776096804 /nfs/dbraw/zinc/09/68/04/776096804.db2.gz DGAIDCGZMDZOPW-BDAKNGLRSA-N 1 1 314.342 -2.530 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090325393 776097336 /nfs/dbraw/zinc/09/73/36/776097336.db2.gz BGHJZUGWSZEHHH-MNOVXSKESA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090325393 776097339 /nfs/dbraw/zinc/09/73/39/776097339.db2.gz BGHJZUGWSZEHHH-MNOVXSKESA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC001090321722 776097565 /nfs/dbraw/zinc/09/75/65/776097565.db2.gz HVXITGAWUKVYFC-JQWIXIFHSA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001099696073 776098073 /nfs/dbraw/zinc/09/80/73/776098073.db2.gz STFOXQXBKXAGAP-AAEUAGOBSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090328049 776100459 /nfs/dbraw/zinc/10/04/59/776100459.db2.gz XLBCITDLXDKDIJ-RYUDHWBXSA-N 1 1 317.361 -1.244 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnns1 ZINC001099696263 776100536 /nfs/dbraw/zinc/10/05/36/776100536.db2.gz WFJDTPZTLFVNQX-VHSXEESVSA-N 1 1 316.383 -1.288 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090328047 776100683 /nfs/dbraw/zinc/10/06/83/776100683.db2.gz XLBCITDLXDKDIJ-NEPJUHHUSA-N 1 1 317.361 -1.244 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC001090338088 776101818 /nfs/dbraw/zinc/10/18/18/776101818.db2.gz XXACEDUSZMZFSB-ZYHUDNBSSA-N 1 1 310.354 -1.429 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC001090337260 776101840 /nfs/dbraw/zinc/10/18/40/776101840.db2.gz PMHNSZDINWMMBV-AAEUAGOBSA-N 1 1 324.381 -1.039 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925117 776102129 /nfs/dbraw/zinc/10/21/29/776102129.db2.gz OYKMXPDHPGVJAJ-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC001090337263 776102600 /nfs/dbraw/zinc/10/26/00/776102600.db2.gz PMHNSZDINWMMBV-YPMHNXCESA-N 1 1 324.381 -1.039 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090343217 776102929 /nfs/dbraw/zinc/10/29/29/776102929.db2.gz YBWPUYWLCLVWTI-GHMZBOCLSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090343217 776102931 /nfs/dbraw/zinc/10/29/31/776102931.db2.gz YBWPUYWLCLVWTI-GHMZBOCLSA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083925323 776103024 /nfs/dbraw/zinc/10/30/24/776103024.db2.gz YLXDGKZQGYUCRF-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090349651 776104676 /nfs/dbraw/zinc/10/46/76/776104676.db2.gz OTCPSCWKQYZVDD-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090360120 776106949 /nfs/dbraw/zinc/10/69/49/776106949.db2.gz JFUYMGYLEVVUBR-AAEUAGOBSA-N 1 1 322.365 -1.733 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001090361992 776106965 /nfs/dbraw/zinc/10/69/65/776106965.db2.gz SEHCTKJBCLUMPT-CMPLNLGQSA-N 1 1 310.354 -1.429 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090360894 776107246 /nfs/dbraw/zinc/10/72/46/776107246.db2.gz NUDKWHPNZZIMGP-VXGBXAGGSA-N 1 1 307.354 -1.105 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001090362218 776107314 /nfs/dbraw/zinc/10/73/14/776107314.db2.gz UUGPBUKIXCVYLI-DGCLKSJQSA-N 1 1 324.381 -1.039 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090365165 776108866 /nfs/dbraw/zinc/10/88/66/776108866.db2.gz NTZIJHGARRKAHV-STQMWFEESA-N 1 1 307.350 -1.057 20 0 DAADMO COCCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099706486 776110858 /nfs/dbraw/zinc/11/08/58/776110858.db2.gz CUCSPPRHASPQBY-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099718158 776112212 /nfs/dbraw/zinc/11/22/12/776112212.db2.gz IBSUMPOMCOLZME-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099715898 776112525 /nfs/dbraw/zinc/11/25/25/776112525.db2.gz MIIVEOWAPGKSRJ-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001081731127 776116293 /nfs/dbraw/zinc/11/62/93/776116293.db2.gz YCWRXTYAEDLORQ-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083935605 776117733 /nfs/dbraw/zinc/11/77/33/776117733.db2.gz DWBRPQPDFMEYCS-MNOVXSKESA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083935605 776117742 /nfs/dbraw/zinc/11/77/42/776117742.db2.gz DWBRPQPDFMEYCS-MNOVXSKESA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090372739 776120147 /nfs/dbraw/zinc/12/01/47/776120147.db2.gz YZGILWLCVUOEPM-NWDGAFQWSA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090372739 776120151 /nfs/dbraw/zinc/12/01/51/776120151.db2.gz YZGILWLCVUOEPM-NWDGAFQWSA-N 1 1 320.411 -1.645 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090372313 776120204 /nfs/dbraw/zinc/12/02/04/776120204.db2.gz QVWDKSHHGOZTAP-YPMHNXCESA-N 1 1 312.370 -1.276 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@@H]2O)c1=O ZINC001090372974 776120418 /nfs/dbraw/zinc/12/04/18/776120418.db2.gz CFMCYGIVNCIYIP-STQMWFEESA-N 1 1 323.397 -1.067 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090372738 776120469 /nfs/dbraw/zinc/12/04/69/776120469.db2.gz YZGILWLCVUOEPM-NEPJUHHUSA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090372738 776120473 /nfs/dbraw/zinc/12/04/73/776120473.db2.gz YZGILWLCVUOEPM-NEPJUHHUSA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(Cc1ccon1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099745035 776121708 /nfs/dbraw/zinc/12/17/08/776121708.db2.gz YNMCUBJVEVOWGB-STQMWFEESA-N 1 1 313.354 -1.223 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001090373746 776122687 /nfs/dbraw/zinc/12/26/87/776122687.db2.gz KEZKPDAVGVBBIG-WDEREUQCSA-N 1 1 313.358 -2.484 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099746017 776123986 /nfs/dbraw/zinc/12/39/86/776123986.db2.gz BFFGNDWWTDQEEP-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090376474 776125761 /nfs/dbraw/zinc/12/57/61/776125761.db2.gz XXXNZTSZEMDBHX-WDEREUQCSA-N 1 1 313.358 -2.220 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090376472 776126244 /nfs/dbraw/zinc/12/62/44/776126244.db2.gz XXXNZTSZEMDBHX-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001099758040 776126991 /nfs/dbraw/zinc/12/69/91/776126991.db2.gz NOSVBWSGNXMSAA-RYUDHWBXSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001099758040 776126995 /nfs/dbraw/zinc/12/69/95/776126995.db2.gz NOSVBWSGNXMSAA-RYUDHWBXSA-N 1 1 307.354 -1.288 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)cn1 ZINC001090381456 776127480 /nfs/dbraw/zinc/12/74/80/776127480.db2.gz KHEQVPFWTYTVJV-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC001090381456 776127490 /nfs/dbraw/zinc/12/74/90/776127490.db2.gz KHEQVPFWTYTVJV-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC001090381456 776127498 /nfs/dbraw/zinc/12/74/98/776127498.db2.gz KHEQVPFWTYTVJV-DGCLKSJQSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)cn1 ZINC001090381455 776128275 /nfs/dbraw/zinc/12/82/75/776128275.db2.gz KHEQVPFWTYTVJV-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 ZINC001090381455 776128282 /nfs/dbraw/zinc/12/82/82/776128282.db2.gz KHEQVPFWTYTVJV-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 ZINC001090381455 776128287 /nfs/dbraw/zinc/12/82/87/776128287.db2.gz KHEQVPFWTYTVJV-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001090380427 776129740 /nfs/dbraw/zinc/12/97/40/776129740.db2.gz DIPAYHCIXCRTIQ-WCQYABFASA-N 1 1 312.370 -1.107 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001090380424 776129893 /nfs/dbraw/zinc/12/98/93/776129893.db2.gz DIPAYHCIXCRTIQ-AAEUAGOBSA-N 1 1 312.370 -1.107 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090382306 776130063 /nfs/dbraw/zinc/13/00/63/776130063.db2.gz QNDDSSRBXBXEMF-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001090382306 776130067 /nfs/dbraw/zinc/13/00/67/776130067.db2.gz QNDDSSRBXBXEMF-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001090382306 776130070 /nfs/dbraw/zinc/13/00/70/776130070.db2.gz QNDDSSRBXBXEMF-AAEUAGOBSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)c1 ZINC001099768337 776130438 /nfs/dbraw/zinc/13/04/38/776130438.db2.gz BMWAXJBWUOKQKJ-YPMHNXCESA-N 1 1 312.370 -1.406 20 0 DAADMO CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)nc(C)[nH+]1 ZINC001090387038 776132081 /nfs/dbraw/zinc/13/20/81/776132081.db2.gz FQUSYKFIKYWYMH-GHMZBOCLSA-N 1 1 307.354 -1.111 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090390566 776134410 /nfs/dbraw/zinc/13/44/10/776134410.db2.gz IGWULNNNYODCFM-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090390566 776134415 /nfs/dbraw/zinc/13/44/15/776134415.db2.gz IGWULNNNYODCFM-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090392930 776135479 /nfs/dbraw/zinc/13/54/79/776135479.db2.gz XUIWPPKYMQRRQT-GHMZBOCLSA-N 1 1 300.359 -2.055 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001099782665 776135634 /nfs/dbraw/zinc/13/56/34/776135634.db2.gz FCTUFPISGVNJKM-WDEREUQCSA-N 1 1 313.358 -1.428 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792555 776137082 /nfs/dbraw/zinc/13/70/82/776137082.db2.gz WHSGHBOBVWJIIK-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792555 776137086 /nfs/dbraw/zinc/13/70/86/776137086.db2.gz WHSGHBOBVWJIIK-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792554 776137625 /nfs/dbraw/zinc/13/76/25/776137625.db2.gz WHSGHBOBVWJIIK-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792554 776137637 /nfs/dbraw/zinc/13/76/37/776137637.db2.gz WHSGHBOBVWJIIK-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099791208 776138285 /nfs/dbraw/zinc/13/82/85/776138285.db2.gz AXTZCKQERQIGEQ-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099791208 776138290 /nfs/dbraw/zinc/13/82/90/776138290.db2.gz AXTZCKQERQIGEQ-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099791617 776138306 /nfs/dbraw/zinc/13/83/06/776138306.db2.gz HUDRDAZSJBTVOT-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083936531 776138960 /nfs/dbraw/zinc/13/89/60/776138960.db2.gz RGFUOFTVSIACMA-NEPJUHHUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083936531 776138968 /nfs/dbraw/zinc/13/89/68/776138968.db2.gz RGFUOFTVSIACMA-NEPJUHHUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083936531 776138972 /nfs/dbraw/zinc/13/89/72/776138972.db2.gz RGFUOFTVSIACMA-NEPJUHHUSA-N 1 1 309.370 -1.065 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083939737 776139343 /nfs/dbraw/zinc/13/93/43/776139343.db2.gz TVGWPMLZWYLDPG-UTUOFQBUSA-N 1 1 314.386 -1.537 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083936712 776139892 /nfs/dbraw/zinc/13/98/92/776139892.db2.gz XTGOYDFYSKMFJA-ZJUUUORDSA-N 1 1 306.330 -2.200 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083936712 776139898 /nfs/dbraw/zinc/13/98/98/776139898.db2.gz XTGOYDFYSKMFJA-ZJUUUORDSA-N 1 1 306.330 -2.200 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953618 776140450 /nfs/dbraw/zinc/14/04/50/776140450.db2.gz YRIFFONFFGRPOG-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953418 776140825 /nfs/dbraw/zinc/14/08/25/776140825.db2.gz RXVGYQBPNIPEMX-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3O)n2n1 ZINC001083949202 776141274 /nfs/dbraw/zinc/14/12/74/776141274.db2.gz WGLWBENBGUJQFX-UISBYWKRSA-N 1 1 320.353 -1.412 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953622 776141553 /nfs/dbraw/zinc/14/15/53/776141553.db2.gz YSKDXNKRBVOMAP-TUAOUCFPSA-N 1 1 323.401 -1.787 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1=O ZINC001083947898 776141631 /nfs/dbraw/zinc/14/16/31/776141631.db2.gz FSKAKUXVVORHEY-ZJUUUORDSA-N 1 1 314.342 -2.576 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083947956 776141836 /nfs/dbraw/zinc/14/18/36/776141836.db2.gz HZEXDTYNCIFZLO-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1=O ZINC001083947996 776141895 /nfs/dbraw/zinc/14/18/95/776141895.db2.gz JTLCUQXVCBCPEJ-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@@H](O)C1 ZINC001083950089 776142442 /nfs/dbraw/zinc/14/24/42/776142442.db2.gz YULDGMLAKPTDAY-BIMULSAOSA-N 1 1 309.370 -1.283 20 0 DAADMO CN1CCCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1=O ZINC001083947558 776142511 /nfs/dbraw/zinc/14/25/11/776142511.db2.gz YKNWTVMDNCSTEW-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cc21 ZINC001083999340 776144152 /nfs/dbraw/zinc/14/41/52/776144152.db2.gz LGZWNGQQXZYUFS-YPMHNXCESA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1nnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cc21 ZINC001083999340 776144156 /nfs/dbraw/zinc/14/41/56/776144156.db2.gz LGZWNGQQXZYUFS-YPMHNXCESA-N 1 1 305.338 -1.265 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cn1 ZINC001083963836 776145590 /nfs/dbraw/zinc/14/55/90/776145590.db2.gz IYVYHMPETYSZEP-BIMULSAOSA-N 1 1 322.365 -1.403 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001083963965 776145725 /nfs/dbraw/zinc/14/57/25/776145725.db2.gz PQTBVCTXVNFEAD-OLZOCXBDSA-N 1 1 322.365 -1.402 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 ZINC001083962523 776146960 /nfs/dbraw/zinc/14/69/60/776146960.db2.gz HQPHAZSAIIEFEQ-WCQGTBRESA-N 1 1 309.370 -1.302 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001083977156 776147542 /nfs/dbraw/zinc/14/75/42/776147542.db2.gz XLNPORXIVPMZIT-XQQFMLRXSA-N 1 1 324.381 -1.252 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001083977059 776147726 /nfs/dbraw/zinc/14/77/26/776147726.db2.gz ROTIWQAAEBSPOG-NEPJUHHUSA-N 1 1 310.354 -1.905 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001083977193 776148571 /nfs/dbraw/zinc/14/85/71/776148571.db2.gz YTENDEXKULBSCN-UPJWGTAASA-N 1 1 324.381 -1.252 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)[C@@H](O)C2)cn1 ZINC001083970243 776148641 /nfs/dbraw/zinc/14/86/41/776148641.db2.gz KBCLORLKOMLXKM-XQQFMLRXSA-N 1 1 321.381 -1.598 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001084024186 776149736 /nfs/dbraw/zinc/14/97/36/776149736.db2.gz VRNBQORJJVZNOW-MNOVXSKESA-N 1 1 324.381 -1.112 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024141 776150103 /nfs/dbraw/zinc/15/01/03/776150103.db2.gz STKSSGUCSQLHIA-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nc2n1 ZINC001084023576 776150161 /nfs/dbraw/zinc/15/01/61/776150161.db2.gz YZHVXGQIBKRYFL-MNOVXSKESA-N 1 1 320.353 -1.492 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nc2n1 ZINC001084023576 776150164 /nfs/dbraw/zinc/15/01/64/776150164.db2.gz YZHVXGQIBKRYFL-MNOVXSKESA-N 1 1 320.353 -1.492 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nn21 ZINC001084022390 776150273 /nfs/dbraw/zinc/15/02/73/776150273.db2.gz GCLGLRPEYOQSGX-ZJUUUORDSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nn21 ZINC001084022390 776150276 /nfs/dbraw/zinc/15/02/76/776150276.db2.gz GCLGLRPEYOQSGX-ZJUUUORDSA-N 1 1 306.326 -1.800 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035461 776151356 /nfs/dbraw/zinc/15/13/56/776151356.db2.gz UEVUXKQIECOSHR-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084033078 776151565 /nfs/dbraw/zinc/15/15/65/776151565.db2.gz FNTXXPTZFKJXNG-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084033078 776151570 /nfs/dbraw/zinc/15/15/70/776151570.db2.gz FNTXXPTZFKJXNG-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)C1=O ZINC001084035841 776151590 /nfs/dbraw/zinc/15/15/90/776151590.db2.gz FHRJJNQEVYMIMI-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035169 776151917 /nfs/dbraw/zinc/15/19/17/776151917.db2.gz FIWIGUZHEDFGCZ-MXWKQRLJSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001084035086 776151936 /nfs/dbraw/zinc/15/19/36/776151936.db2.gz AJVXDYFZTGERIU-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084038408 776152970 /nfs/dbraw/zinc/15/29/70/776152970.db2.gz HZSAQUHNYWNFLK-AEJSXWLSSA-N 1 1 323.353 -1.615 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001084035967 776153161 /nfs/dbraw/zinc/15/31/61/776153161.db2.gz KLOBNEBETWLJSL-BDAKNGLRSA-N 1 1 300.315 -2.966 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001084041089 776153187 /nfs/dbraw/zinc/15/31/87/776153187.db2.gz MGYNGAZVFJHTBZ-JLLWLGSASA-N 1 1 314.386 -1.681 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035987 776153349 /nfs/dbraw/zinc/15/33/49/776153349.db2.gz LEALPUGSRBIOJX-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035987 776153352 /nfs/dbraw/zinc/15/33/52/776153352.db2.gz LEALPUGSRBIOJX-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084038391 776153665 /nfs/dbraw/zinc/15/36/65/776153665.db2.gz GXZIOXCGBIHIAD-MNOVXSKESA-N 1 1 312.370 -1.302 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084036026 776153737 /nfs/dbraw/zinc/15/37/37/776153737.db2.gz NGKIRHVBZDIGOS-BDAKNGLRSA-N 1 1 300.315 -2.918 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@@H](O)C1 ZINC001084012496 776154562 /nfs/dbraw/zinc/15/45/62/776154562.db2.gz RLCXXAACUJAPSF-AGIUHOORSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@@H](O)C1 ZINC001084012496 776154568 /nfs/dbraw/zinc/15/45/68/776154568.db2.gz RLCXXAACUJAPSF-AGIUHOORSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001084012518 776154642 /nfs/dbraw/zinc/15/46/42/776154642.db2.gz SJMGLIBQELFVJT-GRYCIOLGSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084012518 776154644 /nfs/dbraw/zinc/15/46/44/776154644.db2.gz SJMGLIBQELFVJT-GRYCIOLGSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001084012293 776154707 /nfs/dbraw/zinc/15/47/07/776154707.db2.gz LRBHCNFYEHKWPK-FRRDWIJNSA-N 1 1 317.361 -1.245 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084039950 776155854 /nfs/dbraw/zinc/15/58/54/776155854.db2.gz STKYZMRUOACMEF-MXWKQRLJSA-N 1 1 313.354 -1.668 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001084077741 776156584 /nfs/dbraw/zinc/15/65/84/776156584.db2.gz ACGHHTGFGDDTGY-VWYCJHECSA-N 1 1 300.359 -2.646 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001084077741 776156591 /nfs/dbraw/zinc/15/65/91/776156591.db2.gz ACGHHTGFGDDTGY-VWYCJHECSA-N 1 1 300.359 -2.646 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cccc(-n2cnnn2)c1 ZINC001084045742 776157375 /nfs/dbraw/zinc/15/73/75/776157375.db2.gz ALXDPVJQBLCYMY-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc(-n2cnnn2)c1 ZINC001084045742 776157380 /nfs/dbraw/zinc/15/73/80/776157380.db2.gz ALXDPVJQBLCYMY-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084077370 776157698 /nfs/dbraw/zinc/15/76/98/776157698.db2.gz RDLRQYSKBNBYPR-NEPJUHHUSA-N 1 1 323.397 -1.221 20 0 DAADMO NC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001084044127 776157701 /nfs/dbraw/zinc/15/77/01/776157701.db2.gz XVZDLWGDHXGDRF-OLZOCXBDSA-N 1 1 322.365 -1.378 20 0 DAADMO NC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001084044127 776157702 /nfs/dbraw/zinc/15/77/02/776157702.db2.gz XVZDLWGDHXGDRF-OLZOCXBDSA-N 1 1 322.365 -1.378 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084053096 776157928 /nfs/dbraw/zinc/15/79/28/776157928.db2.gz RYUNKQYIWXKERL-UHTWSYAYSA-N 1 1 308.386 -1.572 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053027 776158154 /nfs/dbraw/zinc/15/81/54/776158154.db2.gz QGKQRMOSPWEPLW-TUAOUCFPSA-N 1 1 308.386 -1.572 20 0 DAADMO CCn1nncc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052760 776158488 /nfs/dbraw/zinc/15/84/88/776158488.db2.gz GTDJIIDASSWKIY-BNOWGMLFSA-N 1 1 322.413 -1.089 20 0 DAADMO Cc1noc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052696 776159362 /nfs/dbraw/zinc/15/93/62/776159362.db2.gz DLKVTGHRRKEXQG-TUAOUCFPSA-N 1 1 309.370 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)C1 ZINC001084053912 776160330 /nfs/dbraw/zinc/16/03/30/776160330.db2.gz PEEZOAIMHXSWGO-MCIONIFRSA-N 1 1 307.398 -1.004 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053880 776160579 /nfs/dbraw/zinc/16/05/79/776160579.db2.gz OFQQMUWSVDEGGG-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053159 776160754 /nfs/dbraw/zinc/16/07/54/776160754.db2.gz URYNMMYYDDXKSS-RTXFEEFZSA-N 1 1 308.386 -1.572 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084056719 776161000 /nfs/dbraw/zinc/16/10/00/776161000.db2.gz KZJYYTDDJMGXOM-ZJUUUORDSA-N 1 1 306.326 -2.180 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084056719 776161009 /nfs/dbraw/zinc/16/10/09/776161009.db2.gz KZJYYTDDJMGXOM-ZJUUUORDSA-N 1 1 306.326 -2.180 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001084053860 776161091 /nfs/dbraw/zinc/16/10/91/776161091.db2.gz NOIFMRJSDNKMDA-XQQFMLRXSA-N 1 1 308.386 -1.609 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084053879 776161564 /nfs/dbraw/zinc/16/15/64/776161564.db2.gz OFQQMUWSVDEGGG-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001084059386 776162462 /nfs/dbraw/zinc/16/24/62/776162462.db2.gz GLHGWRWWZZRLQP-NEPJUHHUSA-N 1 1 306.326 -1.064 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001084059593 776162490 /nfs/dbraw/zinc/16/24/90/776162490.db2.gz PKGWYECOBYSBCO-MNOVXSKESA-N 1 1 320.357 -1.923 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001084067812 776162645 /nfs/dbraw/zinc/16/26/45/776162645.db2.gz APODNGQTSKEVAN-AXFHLTTASA-N 1 1 303.384 -1.751 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001084060134 776162771 /nfs/dbraw/zinc/16/27/71/776162771.db2.gz JHNSGTNVFXWEJI-UHTWSYAYSA-N 1 1 323.397 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059297 776163435 /nfs/dbraw/zinc/16/34/35/776163435.db2.gz BISMWQCBIFISIY-JLLWLGSASA-N 1 1 309.370 -1.513 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084067996 776163479 /nfs/dbraw/zinc/16/34/79/776163479.db2.gz IKQZHILIMFISHA-AEJSXWLSSA-N 1 1 307.372 -2.514 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001084068341 776164471 /nfs/dbraw/zinc/16/44/71/776164471.db2.gz WDQIJWDNOLNIQD-BBBLOLIVSA-N 1 1 309.363 -1.801 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084073454 776165035 /nfs/dbraw/zinc/16/50/35/776165035.db2.gz VKPHNAJZOQKURZ-AGIUHOORSA-N 1 1 317.361 -1.245 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084073515 776165196 /nfs/dbraw/zinc/16/51/96/776165196.db2.gz XMFVVUDFTFNLAR-MCIONIFRSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084068342 776165320 /nfs/dbraw/zinc/16/53/20/776165320.db2.gz WFARWWYLQXUENC-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084068972 776165427 /nfs/dbraw/zinc/16/54/27/776165427.db2.gz PLWGDNWXLPEJLH-AGIUHOORSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084068972 776165431 /nfs/dbraw/zinc/16/54/31/776165431.db2.gz PLWGDNWXLPEJLH-AGIUHOORSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112922 776165701 /nfs/dbraw/zinc/16/57/01/776165701.db2.gz QCXRKMXBLISLEQ-AXTRIDKLSA-N 1 1 308.338 -1.664 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116495 776166748 /nfs/dbraw/zinc/16/67/48/776166748.db2.gz TXXJSEPZQTZGRR-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccnc(-n2cncn2)c1 ZINC001084116391 776167017 /nfs/dbraw/zinc/16/70/17/776167017.db2.gz OOUQGMKZPNSLRY-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc(-n2cncn2)c1 ZINC001084116391 776167018 /nfs/dbraw/zinc/16/70/18/776167018.db2.gz OOUQGMKZPNSLRY-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)nn1 ZINC001084090202 776167673 /nfs/dbraw/zinc/16/76/73/776167673.db2.gz OQZRVUODEPHSPB-PWSUYJOCSA-N 1 1 322.369 -1.662 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001084120023 776168362 /nfs/dbraw/zinc/16/83/62/776168362.db2.gz GADCCBOQSMNWBU-VWYCJHECSA-N 1 1 300.359 -1.663 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001084084209 776168393 /nfs/dbraw/zinc/16/83/93/776168393.db2.gz KHCYTVNUFJAPSK-UTUOFQBUSA-N 1 1 309.370 -1.697 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097247 776169307 /nfs/dbraw/zinc/16/93/07/776169307.db2.gz KPEPYQUKCRMHBH-FOGDFJRCSA-N 1 1 312.370 -1.466 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001084106480 776169378 /nfs/dbraw/zinc/16/93/78/776169378.db2.gz ZBMXULIGJCUXBB-OLZOCXBDSA-N 1 1 307.350 -1.518 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084125838 776169491 /nfs/dbraw/zinc/16/94/91/776169491.db2.gz XCSSHKWRXAKRNB-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084125838 776169495 /nfs/dbraw/zinc/16/94/95/776169495.db2.gz XCSSHKWRXAKRNB-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001084091052 776169680 /nfs/dbraw/zinc/16/96/80/776169680.db2.gz WIZNUFXKTJHKIN-PWSUYJOCSA-N 1 1 324.385 -1.450 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084091044 776170063 /nfs/dbraw/zinc/17/00/63/776170063.db2.gz VYWWFCJHBOYFIN-PWSUYJOCSA-N 1 1 324.385 -1.416 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084102666 776170175 /nfs/dbraw/zinc/17/01/75/776170175.db2.gz GTHHCBOXIPZHDE-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001084176953 776171301 /nfs/dbraw/zinc/17/13/01/776171301.db2.gz NVLKWEMLZKRMHX-IJLUTSLNSA-N 1 1 319.369 -1.564 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001084176953 776171305 /nfs/dbraw/zinc/17/13/05/776171305.db2.gz NVLKWEMLZKRMHX-IJLUTSLNSA-N 1 1 319.369 -1.564 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084178653 776171505 /nfs/dbraw/zinc/17/15/05/776171505.db2.gz SOXWLSNQDZNEBK-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084178653 776171510 /nfs/dbraw/zinc/17/15/10/776171510.db2.gz SOXWLSNQDZNEBK-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177026 776171990 /nfs/dbraw/zinc/17/19/90/776171990.db2.gz QXBBMHSBKIVIGJ-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177026 776171997 /nfs/dbraw/zinc/17/19/97/776171997.db2.gz QXBBMHSBKIVIGJ-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001084306657 776172903 /nfs/dbraw/zinc/17/29/03/776172903.db2.gz AKOVQGWAOZOUSF-MRVWCRGKSA-N 1 1 320.393 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001084306657 776172907 /nfs/dbraw/zinc/17/29/07/776172907.db2.gz AKOVQGWAOZOUSF-MRVWCRGKSA-N 1 1 320.393 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001084307871 776172931 /nfs/dbraw/zinc/17/29/31/776172931.db2.gz ZNPWOZPIRZEKQV-IRUJWGPZSA-N 1 1 308.382 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001084307871 776172934 /nfs/dbraw/zinc/17/29/34/776172934.db2.gz ZNPWOZPIRZEKQV-IRUJWGPZSA-N 1 1 308.382 -1.129 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294550 776173959 /nfs/dbraw/zinc/17/39/59/776173959.db2.gz VYTKCUNNLAGQNF-GMTAPVOTSA-N 1 1 322.369 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294550 776173963 /nfs/dbraw/zinc/17/39/63/776173963.db2.gz VYTKCUNNLAGQNF-GMTAPVOTSA-N 1 1 322.369 -1.349 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348141 776174634 /nfs/dbraw/zinc/17/46/34/776174634.db2.gz SDSYVFAFGOACRK-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348141 776174641 /nfs/dbraw/zinc/17/46/41/776174641.db2.gz SDSYVFAFGOACRK-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347117 776174825 /nfs/dbraw/zinc/17/48/25/776174825.db2.gz HVVMSQVZGDAPPA-GHMZBOCLSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347117 776174833 /nfs/dbraw/zinc/17/48/33/776174833.db2.gz HVVMSQVZGDAPPA-GHMZBOCLSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084319207 776174914 /nfs/dbraw/zinc/17/49/14/776174914.db2.gz SNTUJAUGRSKLJG-GMTAPVOTSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001084319207 776174918 /nfs/dbraw/zinc/17/49/18/776174918.db2.gz SNTUJAUGRSKLJG-GMTAPVOTSA-N 1 1 310.354 -1.284 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001084356489 776175810 /nfs/dbraw/zinc/17/58/10/776175810.db2.gz LOJGBRFEFNSLAO-GHMZBOCLSA-N 1 1 322.369 -1.444 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084347777 776176028 /nfs/dbraw/zinc/17/60/28/776176028.db2.gz DYQFIASIHQNKCT-VXGBXAGGSA-N 1 1 317.357 -1.503 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084348115 776176129 /nfs/dbraw/zinc/17/61/29/776176129.db2.gz QMZBZUQKIDVPLK-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084348115 776176134 /nfs/dbraw/zinc/17/61/34/776176134.db2.gz QMZBZUQKIDVPLK-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084479406 776177291 /nfs/dbraw/zinc/17/72/91/776177291.db2.gz GKZGEFMZMLMNIW-ZYHUDNBSSA-N 1 1 319.369 -1.024 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084479406 776177296 /nfs/dbraw/zinc/17/72/96/776177296.db2.gz GKZGEFMZMLMNIW-ZYHUDNBSSA-N 1 1 319.369 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)O1 ZINC001084447374 776177367 /nfs/dbraw/zinc/17/73/67/776177367.db2.gz KLZDKUZPCYYVQY-FDYHWXHSSA-N 1 1 310.398 -1.277 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)O1 ZINC001084447374 776177372 /nfs/dbraw/zinc/17/73/72/776177372.db2.gz KLZDKUZPCYYVQY-FDYHWXHSSA-N 1 1 310.398 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001084463925 776177927 /nfs/dbraw/zinc/17/79/27/776177927.db2.gz LAFYPNAHAIXWBM-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)c1=O ZINC001084467044 776178091 /nfs/dbraw/zinc/17/80/91/776178091.db2.gz OKFRNECQSRSURK-VXGBXAGGSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001084532527 776179305 /nfs/dbraw/zinc/17/93/05/776179305.db2.gz ATTXUHZNGVKRFC-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001084532527 776179309 /nfs/dbraw/zinc/17/93/09/776179309.db2.gz ATTXUHZNGVKRFC-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c1=O ZINC001084542331 776179441 /nfs/dbraw/zinc/17/94/41/776179441.db2.gz WMLJGQFJKASTBK-VXGBXAGGSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001084575824 776179716 /nfs/dbraw/zinc/17/97/16/776179716.db2.gz QZKOEEZKBFDHKX-JHJVBQTASA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001084575824 776179718 /nfs/dbraw/zinc/17/97/18/776179718.db2.gz QZKOEEZKBFDHKX-JHJVBQTASA-N 1 1 320.393 -1.113 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090398754 776179872 /nfs/dbraw/zinc/17/98/72/776179872.db2.gz IFSPSOHJCSUXIL-PWSUYJOCSA-N 1 1 310.354 -1.719 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084615531 776181574 /nfs/dbraw/zinc/18/15/74/776181574.db2.gz AORDZWLYXRCIKK-YUSALJHKSA-N 1 1 317.349 -1.195 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084615531 776181581 /nfs/dbraw/zinc/18/15/81/776181581.db2.gz AORDZWLYXRCIKK-YUSALJHKSA-N 1 1 317.349 -1.195 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001084624444 776181679 /nfs/dbraw/zinc/18/16/79/776181679.db2.gz QYHKXEAVWATQPQ-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090399154 776184545 /nfs/dbraw/zinc/18/45/45/776184545.db2.gz BYNKPZYKKFASOR-GHMZBOCLSA-N 1 1 307.354 -1.105 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c(=O)n(C)c1=O ZINC001084698379 776185355 /nfs/dbraw/zinc/18/53/55/776185355.db2.gz UBLPCXVDBGOIPC-ZYHUDNBSSA-N 1 1 322.365 -1.777 20 0 DAADMO NC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722423 776185729 /nfs/dbraw/zinc/18/57/29/776185729.db2.gz OIGKTIPELLEHBC-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084738100 776185820 /nfs/dbraw/zinc/18/58/20/776185820.db2.gz QRNDPYTXJUFGAH-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084738100 776185825 /nfs/dbraw/zinc/18/58/25/776185825.db2.gz QRNDPYTXJUFGAH-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084724756 776185875 /nfs/dbraw/zinc/18/58/75/776185875.db2.gz SMDYCDUSJLKIPG-VXGBXAGGSA-N 1 1 322.365 -1.548 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084719286 776186136 /nfs/dbraw/zinc/18/61/36/776186136.db2.gz MTMLGNGCSPDGAD-ZYHUDNBSSA-N 1 1 309.366 -1.046 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 ZINC001084698363 776186237 /nfs/dbraw/zinc/18/62/37/776186237.db2.gz SUMYXJSZSSIMKA-NXEZZACHSA-N 1 1 308.338 -1.040 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813469 776186328 /nfs/dbraw/zinc/18/63/28/776186328.db2.gz PJPHOVGLKUIOLD-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001084759726 776187712 /nfs/dbraw/zinc/18/77/12/776187712.db2.gz AHBZVTMKSAGDSH-IJLUTSLNSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766474 776188451 /nfs/dbraw/zinc/18/84/51/776188451.db2.gz ZYECEZVWYPRYFE-GHMZBOCLSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001084766474 776188457 /nfs/dbraw/zinc/18/84/57/776188457.db2.gz ZYECEZVWYPRYFE-GHMZBOCLSA-N 1 1 306.370 -1.032 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084760089 776188736 /nfs/dbraw/zinc/18/87/36/776188736.db2.gz RHBJXTNSVIFQFM-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084838273 776189376 /nfs/dbraw/zinc/18/93/76/776189376.db2.gz AXNZFGRTIKLFSI-GRYCIOLGSA-N 1 1 317.411 -1.407 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818327 776190924 /nfs/dbraw/zinc/19/09/24/776190924.db2.gz VMFUJYLBLYMJFU-GMTAPVOTSA-N 1 1 310.354 -1.548 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099835168 776190958 /nfs/dbraw/zinc/19/09/58/776190958.db2.gz DGGZPCAJLINYQF-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099835168 776190961 /nfs/dbraw/zinc/19/09/61/776190961.db2.gz DGGZPCAJLINYQF-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838395 776191483 /nfs/dbraw/zinc/19/14/83/776191483.db2.gz MVFZKOMRNUBQNV-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838393 776191723 /nfs/dbraw/zinc/19/17/23/776191723.db2.gz MVFZKOMRNUBQNV-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099838260 776191903 /nfs/dbraw/zinc/19/19/03/776191903.db2.gz KVNGBODUKUSRNG-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001084911354 776193418 /nfs/dbraw/zinc/19/34/18/776193418.db2.gz YDMRSMONNZUIDP-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001084911354 776193426 /nfs/dbraw/zinc/19/34/26/776193426.db2.gz YDMRSMONNZUIDP-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090402042 776193850 /nfs/dbraw/zinc/19/38/50/776193850.db2.gz FFWKPAWGIAAFDJ-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001090402042 776193852 /nfs/dbraw/zinc/19/38/52/776193852.db2.gz FFWKPAWGIAAFDJ-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099845591 776194093 /nfs/dbraw/zinc/19/40/93/776194093.db2.gz ZSRCSRMMHIVHGJ-NWDGAFQWSA-N 1 1 311.338 -1.447 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1=O ZINC001084953018 776194494 /nfs/dbraw/zinc/19/44/94/776194494.db2.gz PIOUOTMJMVAJGB-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1=O ZINC001084953018 776194500 /nfs/dbraw/zinc/19/45/00/776194500.db2.gz PIOUOTMJMVAJGB-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 ZINC001084960756 776194581 /nfs/dbraw/zinc/19/45/81/776194581.db2.gz KKWSRVTYANTBJQ-UTLUCORTSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 ZINC001084960756 776194590 /nfs/dbraw/zinc/19/45/90/776194590.db2.gz KKWSRVTYANTBJQ-UTLUCORTSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C[C@@H]21 ZINC001084956581 776194674 /nfs/dbraw/zinc/19/46/74/776194674.db2.gz SRXAVQQZKLZHQK-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C[C@@H]21 ZINC001084956581 776194680 /nfs/dbraw/zinc/19/46/80/776194680.db2.gz SRXAVQQZKLZHQK-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001084976220 776195394 /nfs/dbraw/zinc/19/53/94/776195394.db2.gz WPRXPYZAJAXCBA-UPJWGTAASA-N 1 1 323.397 -1.115 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001099861648 776195425 /nfs/dbraw/zinc/19/54/25/776195425.db2.gz WUSIXFKFLHVZPK-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001099861650 776195649 /nfs/dbraw/zinc/19/56/49/776195649.db2.gz WUSIXFKFLHVZPK-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099861275 776195674 /nfs/dbraw/zinc/19/56/74/776195674.db2.gz PFSYFNWBFFSXAB-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001090399940 776195850 /nfs/dbraw/zinc/19/58/50/776195850.db2.gz QHURORJURZFTPS-AAEUAGOBSA-N 1 1 324.381 -1.065 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)S(C)(=O)=O ZINC001099861013 776196127 /nfs/dbraw/zinc/19/61/27/776196127.db2.gz LKXHXUHLVHSQDU-UWVGGRQHSA-N 1 1 309.388 -2.579 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099861272 776196263 /nfs/dbraw/zinc/19/62/63/776196263.db2.gz PFSYFNWBFFSXAB-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099861591 776196342 /nfs/dbraw/zinc/19/63/42/776196342.db2.gz WERAKRSFUKNALQ-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099861589 776196697 /nfs/dbraw/zinc/19/66/97/776196697.db2.gz WERAKRSFUKNALQ-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864115 776197332 /nfs/dbraw/zinc/19/73/32/776197332.db2.gz POTHLPHAXRKYRG-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@@H]21 ZINC001085005028 776197644 /nfs/dbraw/zinc/19/76/44/776197644.db2.gz CMOBUPLZXACJNW-UTUOFQBUSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)C[C@H]1O ZINC001099862911 776197750 /nfs/dbraw/zinc/19/77/50/776197750.db2.gz FIWOKDUQMHWFGG-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1=O ZINC001085012248 776198249 /nfs/dbraw/zinc/19/82/49/776198249.db2.gz GNKYKJXFNSABAF-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1=O ZINC001085012248 776198252 /nfs/dbraw/zinc/19/82/52/776198252.db2.gz GNKYKJXFNSABAF-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099865068 776198260 /nfs/dbraw/zinc/19/82/60/776198260.db2.gz YKHGLGBMIFYWPT-QWRGUYRKSA-N 1 1 303.359 -2.317 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001099861841 776198361 /nfs/dbraw/zinc/19/83/61/776198361.db2.gz ZKTBRWPNKBUZFN-NWDGAFQWSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099864000 776198381 /nfs/dbraw/zinc/19/83/81/776198381.db2.gz PHKXMOTZLKKWQZ-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099864000 776198386 /nfs/dbraw/zinc/19/83/86/776198386.db2.gz PHKXMOTZLKKWQZ-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CCNC1=O ZINC001085030790 776199694 /nfs/dbraw/zinc/19/96/94/776199694.db2.gz SMLZERMBOURKGU-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CCNC1=O ZINC001085030790 776199697 /nfs/dbraw/zinc/19/96/97/776199697.db2.gz SMLZERMBOURKGU-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21 ZINC001085034113 776199709 /nfs/dbraw/zinc/19/97/09/776199709.db2.gz UMTMEUDTHYHNQJ-WYUUTHIRSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085095740 776199989 /nfs/dbraw/zinc/19/99/89/776199989.db2.gz IFCKUUUPCOJYHQ-WOPDTQHZSA-N 1 1 317.411 -1.407 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000823788535 776201392 /nfs/dbraw/zinc/20/13/92/776201392.db2.gz KICOUWGXRWTVKJ-LBPRGKRZSA-N 1 1 312.370 -1.876 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090400742 776201394 /nfs/dbraw/zinc/20/13/94/776201394.db2.gz YALDPYKFRGNTFA-WCQYABFASA-N 1 1 324.381 -1.329 20 0 DAADMO COC(=O)[C@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2)NC(C)=O ZINC001273279508 776202827 /nfs/dbraw/zinc/20/28/27/776202827.db2.gz JQNGOPZXYAEUIT-TUAOUCFPSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2)NC(C)=O ZINC001273279508 776202833 /nfs/dbraw/zinc/20/28/33/776202833.db2.gz JQNGOPZXYAEUIT-TUAOUCFPSA-N 1 1 313.354 -1.404 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273295967 776203917 /nfs/dbraw/zinc/20/39/17/776203917.db2.gz ZMUBHARTJXNLBJ-FIQHERPVSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001273295894 776203935 /nfs/dbraw/zinc/20/39/35/776203935.db2.gz YFCJFUPSAYIQGK-YFKTTZPYSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001273295894 776203942 /nfs/dbraw/zinc/20/39/42/776203942.db2.gz YFCJFUPSAYIQGK-YFKTTZPYSA-N 1 1 324.381 -1.689 20 0 DAADMO COCCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)C(N)=O ZINC001288246898 776204034 /nfs/dbraw/zinc/20/40/34/776204034.db2.gz STJAGIFBYLQXEY-UHFFFAOYSA-N 1 1 311.342 -1.732 20 0 DAADMO Cn1ccc(CC(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098364862 776204168 /nfs/dbraw/zinc/20/41/68/776204168.db2.gz DOQGMKDJVUCXIO-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO O=C(Cn1ncnn1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098367796 776205244 /nfs/dbraw/zinc/20/52/44/776205244.db2.gz OJJNXNQXPZHLGR-UHFFFAOYSA-N 1 1 300.338 -1.072 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001085296252 776205488 /nfs/dbraw/zinc/20/54/88/776205488.db2.gz VJKRKYGUMXJUTC-HBNTYKKESA-N 1 1 321.385 -1.137 20 0 DAADMO COCCNC(=O)C1(NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000824419178 776205659 /nfs/dbraw/zinc/20/56/59/776205659.db2.gz WPPRLCZONABVHV-UHFFFAOYSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085317136 776207286 /nfs/dbraw/zinc/20/72/86/776207286.db2.gz LLOZDIFMIPQPQZ-NXEZZACHSA-N 1 1 322.369 -1.189 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001273323658 776207456 /nfs/dbraw/zinc/20/74/56/776207456.db2.gz AWRNAMLFDITOTD-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967816 776208241 /nfs/dbraw/zinc/20/82/41/776208241.db2.gz TZKUTKGUYLZTIR-JQWIXIFHSA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(Cc1cnoc1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099963145 776208293 /nfs/dbraw/zinc/20/82/93/776208293.db2.gz ZZYBNDILSALTBB-STQMWFEESA-N 1 1 313.354 -1.223 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC001099973874 776209632 /nfs/dbraw/zinc/20/96/32/776209632.db2.gz KFSFEAFVECUICW-MNOVXSKESA-N 1 1 312.370 -1.966 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC001099973874 776209640 /nfs/dbraw/zinc/20/96/40/776209640.db2.gz KFSFEAFVECUICW-MNOVXSKESA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001099974916 776209960 /nfs/dbraw/zinc/20/99/60/776209960.db2.gz WSGJHSBNYLDUQK-SFYZADRCSA-N 1 1 313.276 -1.398 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001099974916 776209966 /nfs/dbraw/zinc/20/99/66/776209966.db2.gz WSGJHSBNYLDUQK-SFYZADRCSA-N 1 1 313.276 -1.398 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000828312115 776211503 /nfs/dbraw/zinc/21/15/03/776211503.db2.gz LQPXXJMUOZCLTF-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099981803 776211649 /nfs/dbraw/zinc/21/16/49/776211649.db2.gz SZSPCNFUZIBEIB-ZJUUUORDSA-N 1 1 309.388 -2.401 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000828312116 776211690 /nfs/dbraw/zinc/21/16/90/776211690.db2.gz LQPXXJMUOZCLTF-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154952969 776212932 /nfs/dbraw/zinc/21/29/32/776212932.db2.gz RWAFFKYAHSGQBX-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154952969 776212935 /nfs/dbraw/zinc/21/29/35/776212935.db2.gz RWAFFKYAHSGQBX-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(=O)CO)CC[N@H+]1CC(C)(C)O ZINC000828644912 776213139 /nfs/dbraw/zinc/21/31/39/776213139.db2.gz TYEDINJGOZUNJD-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(=O)CO)CC[N@H+]1CC(C)(C)O ZINC000828644913 776213336 /nfs/dbraw/zinc/21/33/36/776213336.db2.gz TYEDINJGOZUNJD-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098386177 776213732 /nfs/dbraw/zinc/21/37/32/776213732.db2.gz MPAHYIOCMZYMQW-UHFFFAOYSA-N 1 1 316.402 -1.417 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000828634773 776213961 /nfs/dbraw/zinc/21/39/61/776213961.db2.gz AFSKZCNJXQHWKI-XHDPSFHLSA-N 1 1 312.414 -1.150 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098386797 776213973 /nfs/dbraw/zinc/21/39/73/776213973.db2.gz XQJCYEWFGXCNEJ-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO C/C(=C/C(=O)NC[C@]1(CO)COCC[NH2+]1)CN1CCOCC1 ZINC000828697040 776214512 /nfs/dbraw/zinc/21/45/12/776214512.db2.gz DBXQUZTZICGFOM-ODDCISTRSA-N 1 1 313.398 -1.268 20 0 DAADMO C/C(=C/C(=O)NC[C@@]1(CO)COCC[NH2+]1)CN1CCOCC1 ZINC000828697037 776214935 /nfs/dbraw/zinc/21/49/35/776214935.db2.gz DBXQUZTZICGFOM-JEMSNHSXSA-N 1 1 313.398 -1.268 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000828716160 776215020 /nfs/dbraw/zinc/21/50/20/776215020.db2.gz KXAYGWFBNBIMJU-ZYOFXKKJSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000828716160 776215026 /nfs/dbraw/zinc/21/50/26/776215026.db2.gz KXAYGWFBNBIMJU-ZYOFXKKJSA-N 1 1 322.365 -1.768 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1COC(=O)N1 ZINC001085570313 776215620 /nfs/dbraw/zinc/21/56/20/776215620.db2.gz GZYCGMCYMRIYRE-MNOVXSKESA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1COC(=O)N1 ZINC001085570313 776215625 /nfs/dbraw/zinc/21/56/25/776215625.db2.gz GZYCGMCYMRIYRE-MNOVXSKESA-N 1 1 308.342 -1.081 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@H]1O ZINC001099986932 776217271 /nfs/dbraw/zinc/21/72/71/776217271.db2.gz RJDCZCVEDHXLNE-CHWSQXEVSA-N 1 1 310.402 -1.219 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001085580855 776217350 /nfs/dbraw/zinc/21/73/50/776217350.db2.gz WPTJWDYCWNKMFL-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001085580855 776217355 /nfs/dbraw/zinc/21/73/55/776217355.db2.gz WPTJWDYCWNKMFL-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001085692552 776219229 /nfs/dbraw/zinc/21/92/29/776219229.db2.gz LCQMBJRVNAGWKR-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001085692552 776219233 /nfs/dbraw/zinc/21/92/33/776219233.db2.gz LCQMBJRVNAGWKR-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090402743 776220096 /nfs/dbraw/zinc/22/00/96/776220096.db2.gz IRNUCGRQLYMLNT-MNOVXSKESA-N 1 1 310.354 -1.091 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1n[nH]cc1F ZINC001099991968 776220393 /nfs/dbraw/zinc/22/03/93/776220393.db2.gz SENYSJNBAXEXAR-GHMZBOCLSA-N 1 1 316.333 -1.277 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1n[nH]cc1F ZINC001099991969 776220703 /nfs/dbraw/zinc/22/07/03/776220703.db2.gz SENYSJNBAXEXAR-MNOVXSKESA-N 1 1 316.333 -1.277 20 0 DAADMO CN(C[C@@H]1CCN1CC(N)=O)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732059 776220911 /nfs/dbraw/zinc/22/09/11/776220911.db2.gz QGSCBYPRCPYGPB-BTJONVMOSA-N 1 1 322.409 -1.132 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CCNC1=O ZINC001085763879 776224598 /nfs/dbraw/zinc/22/45/98/776224598.db2.gz LNZYSWGPZBOEEK-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CCNC1=O ZINC001085763879 776224609 /nfs/dbraw/zinc/22/46/09/776224609.db2.gz LNZYSWGPZBOEEK-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CCNC1=O ZINC001085763876 776224665 /nfs/dbraw/zinc/22/46/65/776224665.db2.gz LNZYSWGPZBOEEK-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CCNC1=O ZINC001085763876 776224673 /nfs/dbraw/zinc/22/46/73/776224673.db2.gz LNZYSWGPZBOEEK-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794148 776225491 /nfs/dbraw/zinc/22/54/91/776225491.db2.gz UVXKHLQKDRVRPV-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794148 776225497 /nfs/dbraw/zinc/22/54/97/776225497.db2.gz UVXKHLQKDRVRPV-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CNC(=O)N1 ZINC001085793714 776225834 /nfs/dbraw/zinc/22/58/34/776225834.db2.gz NPXDKHCEPSEUTA-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CNC(=O)N1 ZINC001085793714 776225841 /nfs/dbraw/zinc/22/58/41/776225841.db2.gz NPXDKHCEPSEUTA-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1ncnc1C(=O)N1CCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001273362730 776225872 /nfs/dbraw/zinc/22/58/72/776225872.db2.gz DOAXKKWGJIPOOI-UHFFFAOYSA-N 1 1 304.354 -1.052 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085793159 776226297 /nfs/dbraw/zinc/22/62/97/776226297.db2.gz CNHNLGCNGBWJKR-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085793159 776226306 /nfs/dbraw/zinc/22/63/06/776226306.db2.gz CNHNLGCNGBWJKR-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085851597 776227527 /nfs/dbraw/zinc/22/75/27/776227527.db2.gz ZXXLSNHXWTXLMG-WDEREUQCSA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001085868259 776229111 /nfs/dbraw/zinc/22/91/11/776229111.db2.gz KZBBXDDKZIBMJI-XIRUVYRFSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108217743 776229263 /nfs/dbraw/zinc/22/92/63/776229263.db2.gz XCFXSZLBNZYELB-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108217743 776229270 /nfs/dbraw/zinc/22/92/70/776229270.db2.gz XCFXSZLBNZYELB-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108219843 776230890 /nfs/dbraw/zinc/23/08/90/776230890.db2.gz JMLNFJFKIOSDIS-CQSZACIVSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108219843 776230896 /nfs/dbraw/zinc/23/08/96/776230896.db2.gz JMLNFJFKIOSDIS-CQSZACIVSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001100008615 776231092 /nfs/dbraw/zinc/23/10/92/776231092.db2.gz LIHPGHXKROKWSW-QWHCGFSZSA-N 1 1 311.386 -1.319 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085924336 776231264 /nfs/dbraw/zinc/23/12/64/776231264.db2.gz TVTJHIIQGJQTJO-ZJUUUORDSA-N 1 1 320.353 -1.055 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ccnnc1 ZINC001100013547 776232932 /nfs/dbraw/zinc/23/29/32/776232932.db2.gz OVHRQSLAWGQCQV-QWHCGFSZSA-N 1 1 310.354 -1.350 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2CC(=O)NC)C1 ZINC001085982431 776234359 /nfs/dbraw/zinc/23/43/59/776234359.db2.gz KKIATPOWSFWICJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CCN2CC(=O)NC)C1 ZINC001085982431 776234362 /nfs/dbraw/zinc/23/43/62/776234362.db2.gz KKIATPOWSFWICJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100018190 776234505 /nfs/dbraw/zinc/23/45/05/776234505.db2.gz PXSJEJYGGWEVMY-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100018194 776234825 /nfs/dbraw/zinc/23/48/25/776234825.db2.gz PXSJEJYGGWEVMY-STQMWFEESA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986778 776235196 /nfs/dbraw/zinc/23/51/96/776235196.db2.gz NBCRAJIYGWNXAR-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086052162 776236312 /nfs/dbraw/zinc/23/63/12/776236312.db2.gz BSTGCQZXYMVQAO-AXFHLTTASA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086052162 776236326 /nfs/dbraw/zinc/23/63/26/776236326.db2.gz BSTGCQZXYMVQAO-AXFHLTTASA-N 1 1 324.385 -1.175 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100021126 776236491 /nfs/dbraw/zinc/23/64/91/776236491.db2.gz YIJXGOUJCCCIAJ-ZJUUUORDSA-N 1 1 324.403 -3.074 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090403681 776236763 /nfs/dbraw/zinc/23/67/63/776236763.db2.gz OGLNFBYPNOWQBT-NXEZZACHSA-N 1 1 312.326 -2.507 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100026788 776238866 /nfs/dbraw/zinc/23/88/66/776238866.db2.gz HYMFFMHQZQZRDK-WDEREUQCSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100026788 776238870 /nfs/dbraw/zinc/23/88/70/776238870.db2.gz HYMFFMHQZQZRDK-WDEREUQCSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129326291 776239736 /nfs/dbraw/zinc/23/97/36/776239736.db2.gz FKBQKUCLQBAMJP-NEPJUHHUSA-N 1 1 324.385 -1.473 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129326291 776239741 /nfs/dbraw/zinc/23/97/41/776239741.db2.gz FKBQKUCLQBAMJP-NEPJUHHUSA-N 1 1 324.385 -1.473 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108242008 776240455 /nfs/dbraw/zinc/24/04/55/776240455.db2.gz IESZAYOFPZKGNY-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108242008 776240461 /nfs/dbraw/zinc/24/04/61/776240461.db2.gz IESZAYOFPZKGNY-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100031428 776241385 /nfs/dbraw/zinc/24/13/85/776241385.db2.gz FGDHLNJNHCZFKW-NEPJUHHUSA-N 1 1 322.427 -1.255 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100031428 776241389 /nfs/dbraw/zinc/24/13/89/776241389.db2.gz FGDHLNJNHCZFKW-NEPJUHHUSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090404656 776242108 /nfs/dbraw/zinc/24/21/08/776242108.db2.gz UDJBHCIDXMOYMR-RYUDHWBXSA-N 1 1 322.365 -1.090 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100031429 776242132 /nfs/dbraw/zinc/24/21/32/776242132.db2.gz FGDHLNJNHCZFKW-NWDGAFQWSA-N 1 1 322.427 -1.255 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100031429 776242138 /nfs/dbraw/zinc/24/21/38/776242138.db2.gz FGDHLNJNHCZFKW-NWDGAFQWSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100036239 776244022 /nfs/dbraw/zinc/24/40/22/776244022.db2.gz CNXOBBLJULHFEC-VXGBXAGGSA-N 1 1 301.387 -1.165 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccc2ncnn21 ZINC001090404946 776244170 /nfs/dbraw/zinc/24/41/70/776244170.db2.gz VUOWNNIXEXYLHI-JQWIXIFHSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001086135438 776244190 /nfs/dbraw/zinc/24/41/90/776244190.db2.gz GMDWZGGOASKJBU-DTORHVGOSA-N 1 1 321.341 -1.546 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[N@H+](CCO)CCO1 ZINC001108249047 776244815 /nfs/dbraw/zinc/24/48/15/776244815.db2.gz VDHWXDOARMCXBD-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108249047 776244820 /nfs/dbraw/zinc/24/48/20/776244820.db2.gz VDHWXDOARMCXBD-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001086166726 776245547 /nfs/dbraw/zinc/24/55/47/776245547.db2.gz PAFAOKPTKJNGFX-ZRUFSTJUSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090405833 776245687 /nfs/dbraw/zinc/24/56/87/776245687.db2.gz ZBOQWHIYJXPYSV-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090405832 776245787 /nfs/dbraw/zinc/24/57/87/776245787.db2.gz ZBOQWHIYJXPYSV-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086168519 776247172 /nfs/dbraw/zinc/24/71/72/776247172.db2.gz ODZTYMNKPKQLFM-AEJSXWLSSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001086183949 776247757 /nfs/dbraw/zinc/24/77/57/776247757.db2.gz BORMGRXPCFOWDZ-YIZRAAEISA-N 1 1 308.346 -2.124 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001086199409 776249598 /nfs/dbraw/zinc/24/95/98/776249598.db2.gz ZQUUYTKTWSOVJL-RGOKHQFPSA-N 1 1 307.358 -1.684 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ncccn1 ZINC001100040966 776249720 /nfs/dbraw/zinc/24/97/20/776249720.db2.gz CEDQWKZCKOKMMN-NWDGAFQWSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnon1 ZINC001100041343 776250220 /nfs/dbraw/zinc/25/02/20/776250220.db2.gz HYPZPQJFOOXWQU-MWLCHTKSSA-N 1 1 300.315 -1.757 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001108256135 776251805 /nfs/dbraw/zinc/25/18/05/776251805.db2.gz RADLJZGNEHRJOX-HNNXBMFYSA-N 1 1 324.381 -1.075 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001108256135 776251807 /nfs/dbraw/zinc/25/18/07/776251807.db2.gz RADLJZGNEHRJOX-HNNXBMFYSA-N 1 1 324.381 -1.075 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)CC1 ZINC001100050775 776252605 /nfs/dbraw/zinc/25/26/05/776252605.db2.gz MWYTUPMGTRXTLK-KGLIPLIRSA-N 1 1 315.414 -1.359 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001100051588 776252673 /nfs/dbraw/zinc/25/26/73/776252673.db2.gz XYQMTSARWLJWTL-STQMWFEESA-N 1 1 324.381 -1.169 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC001086345891 776255824 /nfs/dbraw/zinc/25/58/24/776255824.db2.gz KGYKVIOSJHUVFE-KYZUINATSA-N 1 1 319.373 -1.176 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086332006 776256454 /nfs/dbraw/zinc/25/64/54/776256454.db2.gz OKWXEKYBXYUGTB-SRVKXCTJSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086332006 776256458 /nfs/dbraw/zinc/25/64/58/776256458.db2.gz OKWXEKYBXYUGTB-SRVKXCTJSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001086355133 776258606 /nfs/dbraw/zinc/25/86/06/776258606.db2.gz MQUVLPUNJJFTBS-IWSPIJDZSA-N 1 1 309.330 -1.697 20 0 DAADMO CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001273427315 776260340 /nfs/dbraw/zinc/26/03/40/776260340.db2.gz HODHEZRLONUEPX-JTQLQIEISA-N 1 1 323.357 -1.649 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100079252 776261160 /nfs/dbraw/zinc/26/11/60/776261160.db2.gz WSHHLMJREIRHAV-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001086414154 776261239 /nfs/dbraw/zinc/26/12/39/776261239.db2.gz LCPJYHIBEJTNTF-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001086446599 776262102 /nfs/dbraw/zinc/26/21/02/776262102.db2.gz PAFAOKPTKJNGFX-DBIOUOCHSA-N 1 1 321.385 -1.294 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100097592 776267753 /nfs/dbraw/zinc/26/77/53/776267753.db2.gz YYTCFYNPHHUONW-MNOVXSKESA-N 1 1 311.338 -1.447 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001086480308 776267791 /nfs/dbraw/zinc/26/77/91/776267791.db2.gz ZQUUYTKTWSOVJL-KYXWUPHJSA-N 1 1 307.358 -1.684 20 0 DAADMO C[C@@]1(CNC(=O)CN2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108283361 776268751 /nfs/dbraw/zinc/26/87/51/776268751.db2.gz APNPFDALUIGKOX-CYBMUJFWSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@@]1(CNC(=O)CN2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108283361 776268756 /nfs/dbraw/zinc/26/87/56/776268756.db2.gz APNPFDALUIGKOX-CYBMUJFWSA-N 1 1 314.342 -2.262 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001086508329 776268841 /nfs/dbraw/zinc/26/88/41/776268841.db2.gz NMFXJHFTXYKHOA-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001086508329 776268847 /nfs/dbraw/zinc/26/88/47/776268847.db2.gz NMFXJHFTXYKHOA-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001086508289 776269042 /nfs/dbraw/zinc/26/90/42/776269042.db2.gz LTWLUWLSCVGWTF-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001086508289 776269050 /nfs/dbraw/zinc/26/90/50/776269050.db2.gz LTWLUWLSCVGWTF-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100114586 776271127 /nfs/dbraw/zinc/27/11/27/776271127.db2.gz QJZVVRPCWTYFJY-JSGCOSHPSA-N 1 1 324.381 -1.041 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098448913 776271815 /nfs/dbraw/zinc/27/18/15/776271815.db2.gz XASALKWGOQVBTM-ZDUSSCGKSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001098448985 776271912 /nfs/dbraw/zinc/27/19/12/776271912.db2.gz ZXJPTOHYAXAARY-AAEUAGOBSA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100114587 776271965 /nfs/dbraw/zinc/27/19/65/776271965.db2.gz QJZVVRPCWTYFJY-OCCSQVGLSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCCNC(=O)c2ncn[nH]2)n(C)c1=O ZINC001168782278 776273271 /nfs/dbraw/zinc/27/32/71/776273271.db2.gz ZZRLPJQYWSYFDJ-UHFFFAOYSA-N 1 1 321.341 -1.888 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCCNC(=O)c2nc[nH]n2)n(C)c1=O ZINC001168782278 776273276 /nfs/dbraw/zinc/27/32/76/776273276.db2.gz ZZRLPJQYWSYFDJ-UHFFFAOYSA-N 1 1 321.341 -1.888 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001100117579 776273312 /nfs/dbraw/zinc/27/33/12/776273312.db2.gz LHFNZGBPWPINOU-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100118125 776273322 /nfs/dbraw/zinc/27/33/22/776273322.db2.gz VUUAUAMUAVWZJJ-QWRGUYRKSA-N 1 1 305.400 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100117186 776273362 /nfs/dbraw/zinc/27/33/62/776273362.db2.gz DJAWZHBEMIXRCQ-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100115998 776273629 /nfs/dbraw/zinc/27/36/29/776273629.db2.gz JHWWNSWLMSWHPD-VXGBXAGGSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100115998 776273635 /nfs/dbraw/zinc/27/36/35/776273635.db2.gz JHWWNSWLMSWHPD-VXGBXAGGSA-N 1 1 322.427 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@@H+](CCO)CCCO)CC2)n1 ZINC001098454294 776273822 /nfs/dbraw/zinc/27/38/22/776273822.db2.gz AOZHGVBBUVLIOL-UHFFFAOYSA-N 1 1 312.374 -1.509 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001098454886 776274537 /nfs/dbraw/zinc/27/45/37/776274537.db2.gz WMCWGLRYXNWFAF-SNVBAGLBSA-N 1 1 312.374 -1.510 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)o1 ZINC001090416618 776275478 /nfs/dbraw/zinc/27/54/78/776275478.db2.gz JKBIMHMDUQTPQY-NXEZZACHSA-N 1 1 311.338 -1.074 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108373255 776277654 /nfs/dbraw/zinc/27/76/54/776277654.db2.gz SFKZLAIJNBLGCU-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108373255 776277662 /nfs/dbraw/zinc/27/76/62/776277662.db2.gz SFKZLAIJNBLGCU-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100125495 776278889 /nfs/dbraw/zinc/27/88/89/776278889.db2.gz ZHCYPRKZPUIRDT-STQMWFEESA-N 1 1 313.398 -1.164 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)ccc1=O ZINC001108382027 776279191 /nfs/dbraw/zinc/27/91/91/776279191.db2.gz GTRHJIXNECKCHX-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)ccc1=O ZINC001108382027 776279198 /nfs/dbraw/zinc/27/91/98/776279198.db2.gz GTRHJIXNECKCHX-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108386404 776280646 /nfs/dbraw/zinc/28/06/46/776280646.db2.gz DMWLEVWZZFLLII-CYBMUJFWSA-N 1 1 302.375 -1.102 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108386404 776280648 /nfs/dbraw/zinc/28/06/48/776280648.db2.gz DMWLEVWZZFLLII-CYBMUJFWSA-N 1 1 302.375 -1.102 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001108404628 776280706 /nfs/dbraw/zinc/28/07/06/776280706.db2.gz FSAFYHQNTSJLSV-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001108404628 776280707 /nfs/dbraw/zinc/28/07/07/776280707.db2.gz FSAFYHQNTSJLSV-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001108404631 776280763 /nfs/dbraw/zinc/28/07/63/776280763.db2.gz FSAFYHQNTSJLSV-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001108404631 776280764 /nfs/dbraw/zinc/28/07/64/776280764.db2.gz FSAFYHQNTSJLSV-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001108410700 776281683 /nfs/dbraw/zinc/28/16/83/776281683.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001108410700 776281689 /nfs/dbraw/zinc/28/16/89/776281689.db2.gz TXIMNKWKBSRHAL-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001108443363 776283169 /nfs/dbraw/zinc/28/31/69/776283169.db2.gz LKQXLVDWRQWCJQ-CQSZACIVSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)nn1 ZINC001108443363 776283168 /nfs/dbraw/zinc/28/31/68/776283168.db2.gz LKQXLVDWRQWCJQ-CQSZACIVSA-N 1 1 311.386 -1.053 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)C[N@H+](CCO)CCO1 ZINC001108439931 776283638 /nfs/dbraw/zinc/28/36/38/776283638.db2.gz YTLDUNWPKWZVLH-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)C[N@@H+](CCO)CCO1 ZINC001108439931 776283646 /nfs/dbraw/zinc/28/36/46/776283646.db2.gz YTLDUNWPKWZVLH-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cnnn1 ZINC001169043994 776284171 /nfs/dbraw/zinc/28/41/71/776284171.db2.gz HOJQWPCCYLRMSQ-JTQLQIEISA-N 1 1 322.377 -1.339 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)CCn2cnnn2)n1 ZINC001169100845 776284754 /nfs/dbraw/zinc/28/47/54/776284754.db2.gz RYZXJCUOKRBRPK-UHFFFAOYSA-N 1 1 323.361 -1.192 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001169100684 776284881 /nfs/dbraw/zinc/28/48/81/776284881.db2.gz LHTURAVYAUMKGK-IEDVVJRASA-N 1 1 302.371 -1.999 20 0 DAADMO C[C@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108446472 776285359 /nfs/dbraw/zinc/28/53/59/776285359.db2.gz AHYXZNUSRDKKKD-HZMBPMFUSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108446472 776285365 /nfs/dbraw/zinc/28/53/65/776285365.db2.gz AHYXZNUSRDKKKD-HZMBPMFUSA-N 1 1 313.354 -1.761 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100686 776285395 /nfs/dbraw/zinc/28/53/95/776285395.db2.gz LHTURAVYAUMKGK-RBFUTWQMSA-N 1 1 302.371 -1.999 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)CCn2cnnn2)n1 ZINC001169100602 776285652 /nfs/dbraw/zinc/28/56/52/776285652.db2.gz LXOKBXCRQKPCOJ-UHFFFAOYSA-N 1 1 324.345 -1.111 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122576 776286620 /nfs/dbraw/zinc/28/66/20/776286620.db2.gz AQKCIFVNKCLDJG-JGPRNRPPSA-N 1 1 311.386 -2.081 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115292842 776287024 /nfs/dbraw/zinc/28/70/24/776287024.db2.gz WTJUEMDKYADJGJ-IMSYWVGJSA-N 1 1 311.386 -1.386 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115292842 776287031 /nfs/dbraw/zinc/28/70/31/776287031.db2.gz WTJUEMDKYADJGJ-IMSYWVGJSA-N 1 1 311.386 -1.386 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 ZINC001108492930 776291064 /nfs/dbraw/zinc/29/10/64/776291064.db2.gz BATJLJWRODUIIH-WPRPVWTQSA-N 1 1 321.324 -1.340 20 0 DAADMO COCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](O)COC)C2)C1 ZINC001108492973 776291522 /nfs/dbraw/zinc/29/15/22/776291522.db2.gz CHMFEUJKGKVMHA-PWSUYJOCSA-N 1 1 315.370 -1.959 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129334294 776291616 /nfs/dbraw/zinc/29/16/16/776291616.db2.gz LIWXDNMEVHGQSY-JTQLQIEISA-N 1 1 315.399 -1.012 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108496959 776292890 /nfs/dbraw/zinc/29/28/90/776292890.db2.gz XPDBOVQRJHWZJF-LLVKDONJSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CCN(C(C)=O)C3)C[C@H]21 ZINC001169549079 776293486 /nfs/dbraw/zinc/29/34/86/776293486.db2.gz KWRBSJFMVFYHQB-MCIONIFRSA-N 1 1 310.398 -1.262 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1nc[nH]n1 ZINC001156336319 776294207 /nfs/dbraw/zinc/29/42/07/776294207.db2.gz IOBXGXLBNZPBCX-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CNC(N)=O)CC2=O)C1 ZINC001108502506 776294218 /nfs/dbraw/zinc/29/42/18/776294218.db2.gz QISNATFNIQSLPH-IUCAKERBSA-N 1 1 313.358 -2.563 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001108499368 776294285 /nfs/dbraw/zinc/29/42/85/776294285.db2.gz ZOLDDVMPEJPMDA-MWLCHTKSSA-N 1 1 312.370 -2.095 20 0 DAADMO COC[C@H](C)[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523540 776297627 /nfs/dbraw/zinc/29/76/27/776297627.db2.gz LPYXJOIWYQLIBJ-UWVGGRQHSA-N 1 1 312.370 -1.702 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108536298 776298948 /nfs/dbraw/zinc/29/89/48/776298948.db2.gz DIZPNUZRPKEDJB-UWVGGRQHSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001108536246 776299039 /nfs/dbraw/zinc/29/90/39/776299039.db2.gz CNMJFBFRQOZLLC-VHSXEESVSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001108536247 776299168 /nfs/dbraw/zinc/29/91/68/776299168.db2.gz CNMJFBFRQOZLLC-ZJUUUORDSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108537450 776299672 /nfs/dbraw/zinc/29/96/72/776299672.db2.gz PBHZMTGNRKCATE-JTQLQIEISA-N 1 1 314.361 -1.117 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108543701 776300333 /nfs/dbraw/zinc/30/03/33/776300333.db2.gz ZTDPJROEWAHAHI-SMDDNHRTSA-N 1 1 313.398 -1.213 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)CNC(=O)NC)CC2=O)C1 ZINC001108549252 776300517 /nfs/dbraw/zinc/30/05/17/776300517.db2.gz HFJQRXGPAVAVGJ-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC(C)(C)O)CC2=O)C1 ZINC001108541758 776301036 /nfs/dbraw/zinc/30/10/36/776301036.db2.gz ZBOVZFOZZDXDQP-GHMZBOCLSA-N 1 1 313.398 -1.071 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)CNC(=O)NC)CC2=O)C1 ZINC001108549251 776301265 /nfs/dbraw/zinc/30/12/65/776301265.db2.gz HFJQRXGPAVAVGJ-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1)C1CCC1 ZINC001108552561 776302429 /nfs/dbraw/zinc/30/24/29/776302429.db2.gz OXHJJNQJVDPFLS-GFCCVEGCSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)CC2=O)C1 ZINC001108545370 776302641 /nfs/dbraw/zinc/30/26/41/776302641.db2.gz UOLLOALMMUAMBV-ZJUUUORDSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108545368 776302684 /nfs/dbraw/zinc/30/26/84/776302684.db2.gz UOLLOALMMUAMBV-UWVGGRQHSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1)C1CCC1 ZINC001108552562 776302884 /nfs/dbraw/zinc/30/28/84/776302884.db2.gz OXHJJNQJVDPFLS-LBPRGKRZSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108567798 776305284 /nfs/dbraw/zinc/30/52/84/776305284.db2.gz BHDGGQSGBJJPHH-NXEZZACHSA-N 1 1 324.381 -1.966 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC1 ZINC001108568610 776305740 /nfs/dbraw/zinc/30/57/40/776305740.db2.gz YCOOBIHLUQRDLG-JTQLQIEISA-N 1 1 324.381 -1.964 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108565880 776307662 /nfs/dbraw/zinc/30/76/62/776307662.db2.gz AXDXZKYLJPOXAT-VHSXEESVSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1ccc2c[nH+]c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)nc21 ZINC001169969087 776308716 /nfs/dbraw/zinc/30/87/16/776308716.db2.gz AOAYGPAORVIWSB-CDPPZIPSSA-N 1 1 310.310 -1.820 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108584692 776309605 /nfs/dbraw/zinc/30/96/05/776309605.db2.gz LLJQXCCQICJRIQ-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)CCNC(N)=O)CC2=O)C1 ZINC001108590507 776310275 /nfs/dbraw/zinc/31/02/75/776310275.db2.gz LXKVHWRAPWRZJO-SNVBAGLBSA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108591762 776310335 /nfs/dbraw/zinc/31/03/35/776310335.db2.gz DRJYLMDHXKJHDU-GFCCVEGCSA-N 1 1 312.414 -1.280 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100126200 776315613 /nfs/dbraw/zinc/31/56/13/776315613.db2.gz CWBWLBIRUVWDHS-VHSXEESVSA-N 1 1 302.375 -1.762 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100126775 776316791 /nfs/dbraw/zinc/31/67/91/776316791.db2.gz MJQYMLBYSRSSEI-MNOVXSKESA-N 1 1 316.402 -1.372 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100126777 776316868 /nfs/dbraw/zinc/31/68/68/776316868.db2.gz MJQYMLBYSRSSEI-WDEREUQCSA-N 1 1 316.402 -1.372 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129370413 776317110 /nfs/dbraw/zinc/31/71/10/776317110.db2.gz SNMBQVLOBINOQR-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001108849733 776317596 /nfs/dbraw/zinc/31/75/96/776317596.db2.gz UEEOYWGNRFQXQE-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108906991 776318630 /nfs/dbraw/zinc/31/86/30/776318630.db2.gz AULMOXKNTINCGC-WOPDTQHZSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108906991 776318637 /nfs/dbraw/zinc/31/86/37/776318637.db2.gz AULMOXKNTINCGC-WOPDTQHZSA-N 1 1 321.385 -1.081 20 0 DAADMO COc1c[nH+]c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C ZINC001169970292 776319003 /nfs/dbraw/zinc/31/90/03/776319003.db2.gz DTVBHVDGMRRCKF-JOLIMNQDSA-N 1 1 300.311 -1.390 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108907156 776319045 /nfs/dbraw/zinc/31/90/45/776319045.db2.gz IEGPLVMMYRYLKC-WYUUTHIRSA-N 1 1 310.358 -1.598 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001108910685 776319335 /nfs/dbraw/zinc/31/93/35/776319335.db2.gz UQHWDMILZTZKCT-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126897 776320718 /nfs/dbraw/zinc/32/07/18/776320718.db2.gz OQLGCFVSHMHZML-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001109061138 776324556 /nfs/dbraw/zinc/32/45/56/776324556.db2.gz FDKCWJAMZJNVKM-FHUSYTEZSA-N 1 1 311.382 -1.006 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CCC(=O)N1 ZINC001109061527 776325597 /nfs/dbraw/zinc/32/55/97/776325597.db2.gz PBFFSSVZDWIYTP-NDBYEHHHSA-N 1 1 311.382 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC001090423483 776326553 /nfs/dbraw/zinc/32/65/53/776326553.db2.gz QFPQCXCXMWGYDG-PWSUYJOCSA-N 1 1 310.354 -1.177 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109111847 776326610 /nfs/dbraw/zinc/32/66/10/776326610.db2.gz QSOXUNMJWKHTCC-NDBYEHHHSA-N 1 1 321.381 -1.159 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109110202 776326820 /nfs/dbraw/zinc/32/68/20/776326820.db2.gz DPCARKJGPITVNU-UTLUCORTSA-N 1 1 318.399 -1.868 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109110202 776326829 /nfs/dbraw/zinc/32/68/29/776326829.db2.gz DPCARKJGPITVNU-UTLUCORTSA-N 1 1 318.399 -1.868 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380662 776327160 /nfs/dbraw/zinc/32/71/60/776327160.db2.gz KZRPUFMOPWAUGP-LBPRGKRZSA-N 1 1 320.401 -1.152 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380660 776327537 /nfs/dbraw/zinc/32/75/37/776327537.db2.gz KZRPUFMOPWAUGP-GFCCVEGCSA-N 1 1 320.401 -1.152 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109192923 776328182 /nfs/dbraw/zinc/32/81/82/776328182.db2.gz QWQWYWITFYJVET-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)n1 ZINC001129385029 776329478 /nfs/dbraw/zinc/32/94/78/776329478.db2.gz CMZBGLPZFSYEFG-CYBMUJFWSA-N 1 1 320.401 -1.152 20 0 DAADMO COCCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090424136 776330782 /nfs/dbraw/zinc/33/07/82/776330782.db2.gz XCZOWZOASOXCPP-WCQYABFASA-N 1 1 312.370 -1.313 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001109277675 776333563 /nfs/dbraw/zinc/33/35/63/776333563.db2.gz JNIWINYNKDYTEF-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C2 ZINC001109277675 776333575 /nfs/dbraw/zinc/33/35/75/776333575.db2.gz JNIWINYNKDYTEF-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001109366554 776333828 /nfs/dbraw/zinc/33/38/28/776333828.db2.gz UHBMTWCFHRYHEY-WYUUTHIRSA-N 1 1 319.427 -1.020 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100129359 776333950 /nfs/dbraw/zinc/33/39/50/776333950.db2.gz LCVANYBIXZNVTO-WDEREUQCSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100129359 776333956 /nfs/dbraw/zinc/33/39/56/776333956.db2.gz LCVANYBIXZNVTO-WDEREUQCSA-N 1 1 308.400 -1.645 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001090424685 776334321 /nfs/dbraw/zinc/33/43/21/776334321.db2.gz GHLXKWSGHCMAGS-NXEZZACHSA-N 1 1 306.326 -1.490 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001109277674 776334705 /nfs/dbraw/zinc/33/47/05/776334705.db2.gz JNIWINYNKDYTEF-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001109277674 776334712 /nfs/dbraw/zinc/33/47/12/776334712.db2.gz JNIWINYNKDYTEF-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109300968 776334742 /nfs/dbraw/zinc/33/47/42/776334742.db2.gz OPHDLIZBWBJUOS-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109300968 776334753 /nfs/dbraw/zinc/33/47/53/776334753.db2.gz OPHDLIZBWBJUOS-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC001090426096 776335032 /nfs/dbraw/zinc/33/50/32/776335032.db2.gz USVQMKKLDLCTIP-MNOVXSKESA-N 1 1 320.353 -1.100 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC ZINC001109376109 776335467 /nfs/dbraw/zinc/33/54/67/776335467.db2.gz RHJUFKSNJSTDMX-RHYQMDGZSA-N 1 1 314.386 -1.356 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109375911 776336727 /nfs/dbraw/zinc/33/67/27/776336727.db2.gz NGZOIEJEFLTLIV-WOPDTQHZSA-N 1 1 314.386 -1.354 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100131429 776337938 /nfs/dbraw/zinc/33/79/38/776337938.db2.gz CUMCNSLSTOGIIM-UONOGXRCSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100131429 776337961 /nfs/dbraw/zinc/33/79/61/776337961.db2.gz CUMCNSLSTOGIIM-UONOGXRCSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100131429 776337967 /nfs/dbraw/zinc/33/79/67/776337967.db2.gz CUMCNSLSTOGIIM-UONOGXRCSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100131430 776338120 /nfs/dbraw/zinc/33/81/20/776338120.db2.gz CUMCNSLSTOGIIM-ZIAGYGMSSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100131430 776338148 /nfs/dbraw/zinc/33/81/48/776338148.db2.gz CUMCNSLSTOGIIM-ZIAGYGMSSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100131430 776338152 /nfs/dbraw/zinc/33/81/52/776338152.db2.gz CUMCNSLSTOGIIM-ZIAGYGMSSA-N 1 1 317.430 -1.113 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)n1 ZINC001109609857 776338265 /nfs/dbraw/zinc/33/82/65/776338265.db2.gz LQXDWKDTNWJAFF-VWYCJHECSA-N 1 1 310.358 -1.446 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656206 776340032 /nfs/dbraw/zinc/34/00/32/776340032.db2.gz JBGXUNAYURLDSJ-WYUUTHIRSA-N 1 1 315.370 -1.783 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115348574 776342001 /nfs/dbraw/zinc/34/20/01/776342001.db2.gz UVPICDBLMDRVBA-JDICNCQASA-N 1 1 311.342 -2.117 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115348574 776342009 /nfs/dbraw/zinc/34/20/09/776342009.db2.gz UVPICDBLMDRVBA-JDICNCQASA-N 1 1 311.342 -2.117 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC001090430131 776342788 /nfs/dbraw/zinc/34/27/88/776342788.db2.gz JJOFSRCVFTVXQN-RYUDHWBXSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC001090430129 776342966 /nfs/dbraw/zinc/34/29/66/776342966.db2.gz JJOFSRCVFTVXQN-NWDGAFQWSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC001090429234 776343036 /nfs/dbraw/zinc/34/30/36/776343036.db2.gz BWYACVMBJHKVTD-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847883 776343617 /nfs/dbraw/zinc/34/36/17/776343617.db2.gz MBBFKLMHKUFMLV-AGIUHOORSA-N 1 1 310.398 -1.085 20 0 DAADMO CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156966803 776344401 /nfs/dbraw/zinc/34/44/01/776344401.db2.gz GGMALFUCILNDRJ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156966803 776344413 /nfs/dbraw/zinc/34/44/13/776344413.db2.gz GGMALFUCILNDRJ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431670 776346769 /nfs/dbraw/zinc/34/67/69/776346769.db2.gz BCBJMQIZLNGCAI-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)cc1=O ZINC001090434175 776346817 /nfs/dbraw/zinc/34/68/17/776346817.db2.gz WPVUZLZFNDKQGX-BXKDBHETSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001090434175 776346822 /nfs/dbraw/zinc/34/68/22/776346822.db2.gz WPVUZLZFNDKQGX-BXKDBHETSA-N 1 1 311.338 -1.459 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079450 776347934 /nfs/dbraw/zinc/34/79/34/776347934.db2.gz FWYGREDIPKIRSM-VWYCJHECSA-N 1 1 311.386 -1.098 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079450 776347942 /nfs/dbraw/zinc/34/79/42/776347942.db2.gz FWYGREDIPKIRSM-VWYCJHECSA-N 1 1 311.386 -1.098 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110049335 776348799 /nfs/dbraw/zinc/34/87/99/776348799.db2.gz XPYRYFAGDPMNAP-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO COCCOCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100140737 776349093 /nfs/dbraw/zinc/34/90/93/776349093.db2.gz AXHHTSPMANDWDR-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090440972 776349830 /nfs/dbraw/zinc/34/98/30/776349830.db2.gz HZFILMMFTOOIEQ-QWHCGFSZSA-N 1 1 319.365 -1.025 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112604825 776350830 /nfs/dbraw/zinc/35/08/30/776350830.db2.gz SKJUCMJYMPJWGQ-NSHDSACASA-N 1 1 310.358 -1.944 20 0 DAADMO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001112606668 776352102 /nfs/dbraw/zinc/35/21/02/776352102.db2.gz HTIGGSLAHOWRIA-NSHDSACASA-N 1 1 318.374 -2.177 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112627677 776352773 /nfs/dbraw/zinc/35/27/73/776352773.db2.gz UKMMLXQCQBHFAP-AWEZNQCLSA-N 1 1 323.397 -1.134 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@H]3O)cnc21 ZINC001090442015 776354645 /nfs/dbraw/zinc/35/46/45/776354645.db2.gz OHNHCAUVBAOULL-CMPLNLGQSA-N 1 1 320.353 -1.479 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC001090442016 776355555 /nfs/dbraw/zinc/35/55/55/776355555.db2.gz OHNHCAUVBAOULL-JQWIXIFHSA-N 1 1 320.353 -1.479 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001112700003 776359960 /nfs/dbraw/zinc/35/99/60/776359960.db2.gz LZMOMZZWCFIOBF-QWRGUYRKSA-N 1 1 322.369 -1.325 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@H](CNC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001112700002 776360123 /nfs/dbraw/zinc/36/01/23/776360123.db2.gz LZMOMZZWCFIOBF-MNOVXSKESA-N 1 1 322.369 -1.325 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001112700004 776360948 /nfs/dbraw/zinc/36/09/48/776360948.db2.gz LZMOMZZWCFIOBF-WDEREUQCSA-N 1 1 322.369 -1.325 20 0 DAADMO CCC(=O)NCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112723964 776363783 /nfs/dbraw/zinc/36/37/83/776363783.db2.gz IGVAPROWAWFDAQ-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100142847 776365353 /nfs/dbraw/zinc/36/53/53/776365353.db2.gz JGWGGOWQAGTWNF-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001090442909 776365501 /nfs/dbraw/zinc/36/55/01/776365501.db2.gz UIZJYEORAYHMBH-QWHCGFSZSA-N 1 1 311.386 -1.226 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001090442908 776365565 /nfs/dbraw/zinc/36/55/65/776365565.db2.gz UIZJYEORAYHMBH-OLZOCXBDSA-N 1 1 311.386 -1.226 20 0 DAADMO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100142845 776365617 /nfs/dbraw/zinc/36/56/17/776365617.db2.gz JGWGGOWQAGTWNF-NWDGAFQWSA-N 1 1 324.385 -1.515 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CCNC(=O)C3CC3)CC2)C1 ZINC001112740046 776368270 /nfs/dbraw/zinc/36/82/70/776368270.db2.gz UOTCZSGBTUWNHJ-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CCNC(=O)C3CC3)CC2)C1 ZINC001112740046 776368279 /nfs/dbraw/zinc/36/82/79/776368279.db2.gz UOTCZSGBTUWNHJ-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CCc1cc(N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001112751657 776369655 /nfs/dbraw/zinc/36/96/55/776369655.db2.gz RYRNYGKSRNUANT-GXSJLCMTSA-N 1 1 307.354 -1.254 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112788045 776374704 /nfs/dbraw/zinc/37/47/04/776374704.db2.gz RDRKELUBSDFDPY-RYUDHWBXSA-N 1 1 324.385 -1.555 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](CCOCCNC(C)=O)CC1 ZINC001112793928 776375208 /nfs/dbraw/zinc/37/52/08/776375208.db2.gz PHIFOQBSUZWQNW-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112824869 776378185 /nfs/dbraw/zinc/37/81/85/776378185.db2.gz IQANMLZCFNWGEN-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112824870 776378470 /nfs/dbraw/zinc/37/84/70/776378470.db2.gz IQANMLZCFNWGEN-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001112848784 776379773 /nfs/dbraw/zinc/37/97/73/776379773.db2.gz USICMJAWCQOFNM-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001112865100 776381023 /nfs/dbraw/zinc/38/10/23/776381023.db2.gz TZHUICZAFUZTDP-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112877281 776381242 /nfs/dbraw/zinc/38/12/42/776381242.db2.gz DGSGEFYENXFRTB-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)ncc1=O ZINC001090444143 776382520 /nfs/dbraw/zinc/38/25/20/776382520.db2.gz DIQGTURXLBHVLP-ZYHUDNBSSA-N 1 1 310.354 -1.672 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112915005 776383776 /nfs/dbraw/zinc/38/37/76/776383776.db2.gz SHYNTOORYCLFOZ-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CNC(=O)NCC(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001112927507 776384977 /nfs/dbraw/zinc/38/49/77/776384977.db2.gz LSMDICBFNBTYNF-NSHDSACASA-N 1 1 321.385 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112929888 776386057 /nfs/dbraw/zinc/38/60/57/776386057.db2.gz SJNAQCVATVPQDH-GFCCVEGCSA-N 1 1 324.385 -1.683 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001112974995 776387350 /nfs/dbraw/zinc/38/73/50/776387350.db2.gz WXKKYEJTFXOSOU-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001112978316 776387560 /nfs/dbraw/zinc/38/75/60/776387560.db2.gz JIPADAKKVKPASW-NSHDSACASA-N 1 1 310.354 -1.455 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001098463083 776389190 /nfs/dbraw/zinc/38/91/90/776389190.db2.gz AXRPXHNDBORNSC-ZYHUDNBSSA-N 1 1 314.386 -1.666 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001098463206 776389462 /nfs/dbraw/zinc/38/94/62/776389462.db2.gz FGMQBBLOZUBTPZ-JTQLQIEISA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100146257 776391958 /nfs/dbraw/zinc/39/19/58/776391958.db2.gz YFOKRMAVDOFNED-NWDGAFQWSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001113111443 776393021 /nfs/dbraw/zinc/39/30/21/776393021.db2.gz ZFMTUISAFMTCEV-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC001113111442 776393197 /nfs/dbraw/zinc/39/31/97/776393197.db2.gz ZFMTUISAFMTCEV-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001113128926 776393247 /nfs/dbraw/zinc/39/32/47/776393247.db2.gz KZVSUQIYCRATGO-NSHDSACASA-N 1 1 310.354 -1.455 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113156511 776393358 /nfs/dbraw/zinc/39/33/58/776393358.db2.gz IMXBXUUQQKMEST-SNVBAGLBSA-N 1 1 324.403 -2.808 20 0 DAADMO CCn1cc(CC(=O)N2CC[NH+](C[C@H](O)COC)CC2)nn1 ZINC001113133875 776393468 /nfs/dbraw/zinc/39/34/68/776393468.db2.gz FVJHSXNEEXONJD-ZDUSSCGKSA-N 1 1 311.386 -1.008 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001098464813 776393942 /nfs/dbraw/zinc/39/39/42/776393942.db2.gz HWHRBAALQHXJEI-NSHDSACASA-N 1 1 313.398 -1.082 20 0 DAADMO CCOCCC[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001113156378 776394390 /nfs/dbraw/zinc/39/43/90/776394390.db2.gz BROMILVLXBXTOG-UHFFFAOYSA-N 1 1 322.431 -1.389 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001100147471 776394738 /nfs/dbraw/zinc/39/47/38/776394738.db2.gz OALPMWXQNPVVGR-STQMWFEESA-N 1 1 311.386 -1.319 20 0 DAADMO Cn1cncc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464936 776395061 /nfs/dbraw/zinc/39/50/61/776395061.db2.gz NIWIOXBBERTTQB-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO Cc1nonc1C[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465045 776395336 /nfs/dbraw/zinc/39/53/36/776395336.db2.gz TZUVDLQGEDNFGC-UHFFFAOYSA-N 1 1 311.342 -1.351 20 0 DAADMO Cc1nonc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465045 776395344 /nfs/dbraw/zinc/39/53/44/776395344.db2.gz TZUVDLQGEDNFGC-UHFFFAOYSA-N 1 1 311.342 -1.351 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC001113156666 776395495 /nfs/dbraw/zinc/39/54/95/776395495.db2.gz QUJWBLPOCKSFID-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001113193745 776397004 /nfs/dbraw/zinc/39/70/04/776397004.db2.gz PNTPLYYYOZXPOO-QWHCGFSZSA-N 1 1 323.397 -1.100 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001113190539 776397490 /nfs/dbraw/zinc/39/74/90/776397490.db2.gz OTXTYQNLEZYSHG-GHMZBOCLSA-N 1 1 300.359 -1.839 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)COc2cnn(C)c2)CC1 ZINC001113260378 776398706 /nfs/dbraw/zinc/39/87/06/776398706.db2.gz AVFWEBSMEBDVPT-GFCCVEGCSA-N 1 1 312.370 -1.050 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CNC(N)=O)CCCCC1 ZINC001115399052 776401121 /nfs/dbraw/zinc/40/11/21/776401121.db2.gz LOGYLQHKMKWQDL-UHFFFAOYSA-N 1 1 324.389 -1.213 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001113349463 776402713 /nfs/dbraw/zinc/40/27/13/776402713.db2.gz XMKOIEWBMSXEET-JTQLQIEISA-N 1 1 310.354 -1.121 20 0 DAADMO Cn1nccc1CC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465475 776402905 /nfs/dbraw/zinc/40/29/05/776402905.db2.gz RIWOPLQMMLAXMB-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001113343285 776402942 /nfs/dbraw/zinc/40/29/42/776402942.db2.gz CNNYCFLNXWGTCW-SDDRHHMPSA-N 1 1 315.370 -1.829 20 0 DAADMO C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465434 776403000 /nfs/dbraw/zinc/40/30/00/776403000.db2.gz PHSCIRVUORMOBU-LLVKDONJSA-N 1 1 301.387 -1.082 20 0 DAADMO NC(=O)C(=O)N1CCC([N@H+](CCO)Cc2cnns2)CC1 ZINC001098465482 776403074 /nfs/dbraw/zinc/40/30/74/776403074.db2.gz RQNBUSBRAMVNHU-UHFFFAOYSA-N 1 1 313.383 -1.191 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)Cc2cnns2)CC1 ZINC001098465482 776403075 /nfs/dbraw/zinc/40/30/75/776403075.db2.gz RQNBUSBRAMVNHU-UHFFFAOYSA-N 1 1 313.383 -1.191 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113345911 776404013 /nfs/dbraw/zinc/40/40/13/776404013.db2.gz JNRVQQIXQGWFEY-WDEREUQCSA-N 1 1 311.386 -1.477 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001113385070 776405532 /nfs/dbraw/zinc/40/55/32/776405532.db2.gz XWPVYHYTWLKDKS-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001113385072 776406072 /nfs/dbraw/zinc/40/60/72/776406072.db2.gz XWPVYHYTWLKDKS-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001113427281 776406995 /nfs/dbraw/zinc/40/69/95/776406995.db2.gz KYNMUAMPABWHLL-NSHDSACASA-N 1 1 313.354 -1.809 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)CC1 ZINC001113434644 776408175 /nfs/dbraw/zinc/40/81/75/776408175.db2.gz UAGGBHDJWBRQTI-LBPRGKRZSA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115017679 776415543 /nfs/dbraw/zinc/41/55/43/776415543.db2.gz CUPKIUURTLQHBF-KLBPJQLPSA-N 1 1 305.342 -2.002 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(CCNS(C)(=O)=O)CC2)C1 ZINC001113629584 776416020 /nfs/dbraw/zinc/41/60/20/776416020.db2.gz OUIIMTGLDOSTRP-LBPRGKRZSA-N 1 1 318.443 -1.369 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017858 776416062 /nfs/dbraw/zinc/41/60/62/776416062.db2.gz HLBVBYHJPMIDMI-VROVMSAKSA-N 1 1 322.329 -2.696 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017858 776416068 /nfs/dbraw/zinc/41/60/68/776416068.db2.gz HLBVBYHJPMIDMI-VROVMSAKSA-N 1 1 322.329 -2.696 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001113634456 776416485 /nfs/dbraw/zinc/41/64/85/776416485.db2.gz DOOGHTVBRGHZSZ-NSHDSACASA-N 1 1 310.354 -1.121 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001113637338 776417367 /nfs/dbraw/zinc/41/73/67/776417367.db2.gz PHWOBINONVOFKN-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113679162 776417914 /nfs/dbraw/zinc/41/79/14/776417914.db2.gz FXBMKRZRASNHIU-UHFFFAOYSA-N 1 1 310.358 -2.079 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001113693900 776418880 /nfs/dbraw/zinc/41/88/80/776418880.db2.gz PWDAPZSSRWEEIM-LLVKDONJSA-N 1 1 312.370 -1.511 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001113681088 776418892 /nfs/dbraw/zinc/41/88/92/776418892.db2.gz DOXJOZQOFBVBGI-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001113727088 776420647 /nfs/dbraw/zinc/42/06/47/776420647.db2.gz BNTRWROZWKQGHR-NEPJUHHUSA-N 1 1 314.386 -1.319 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001113758447 776421691 /nfs/dbraw/zinc/42/16/91/776421691.db2.gz RTLIWNMALXHUGX-UUIJZJDISA-N 1 1 311.382 -1.168 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001113758447 776421697 /nfs/dbraw/zinc/42/16/97/776421697.db2.gz RTLIWNMALXHUGX-UUIJZJDISA-N 1 1 311.382 -1.168 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001113743337 776421762 /nfs/dbraw/zinc/42/17/62/776421762.db2.gz HODMNGGTVNQYPR-QWRGUYRKSA-N 1 1 313.354 -1.809 20 0 DAADMO NS(=O)(=O)CCCCCC(=O)N1CC[NH+](CCO)CC1 ZINC001113752615 776421827 /nfs/dbraw/zinc/42/18/27/776421827.db2.gz MNTHRMSPBLISSI-UHFFFAOYSA-N 1 1 307.416 -1.028 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001113761306 776422128 /nfs/dbraw/zinc/42/21/28/776422128.db2.gz BACMCFMTRFDOSF-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113762010 776422238 /nfs/dbraw/zinc/42/22/38/776422238.db2.gz MKXPESVYAONUNP-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113762010 776422243 /nfs/dbraw/zinc/42/22/43/776422243.db2.gz MKXPESVYAONUNP-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113762084 776422360 /nfs/dbraw/zinc/42/23/60/776422360.db2.gz NXEMHATWEWMOGK-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113762084 776422368 /nfs/dbraw/zinc/42/23/68/776422368.db2.gz NXEMHATWEWMOGK-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001113763976 776422378 /nfs/dbraw/zinc/42/23/78/776422378.db2.gz CNQQUVBLHDYMAY-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001113763976 776422382 /nfs/dbraw/zinc/42/23/82/776422382.db2.gz CNQQUVBLHDYMAY-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001113766246 776422756 /nfs/dbraw/zinc/42/27/56/776422756.db2.gz ACNTVADCOLUISF-UUIJZJDISA-N 1 1 311.382 -1.074 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001113766246 776422762 /nfs/dbraw/zinc/42/27/62/776422762.db2.gz ACNTVADCOLUISF-UUIJZJDISA-N 1 1 311.382 -1.074 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC001113774955 776423283 /nfs/dbraw/zinc/42/32/83/776423283.db2.gz LXNHHICDOFSHFS-GDGBQDQQSA-N 1 1 303.322 -1.064 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC001113774955 776423287 /nfs/dbraw/zinc/42/32/87/776423287.db2.gz LXNHHICDOFSHFS-GDGBQDQQSA-N 1 1 303.322 -1.064 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113788031 776424062 /nfs/dbraw/zinc/42/40/62/776424062.db2.gz XMKTZVMOTNNPPR-MPXOCVNLSA-N 1 1 308.338 -2.026 20 0 DAADMO CC(C)=CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113816258 776424886 /nfs/dbraw/zinc/42/48/86/776424886.db2.gz OJFGFIOJAANPRG-ATCWAGBWSA-N 1 1 320.393 -1.043 20 0 DAADMO CC(C)=CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113816258 776424890 /nfs/dbraw/zinc/42/48/90/776424890.db2.gz OJFGFIOJAANPRG-ATCWAGBWSA-N 1 1 320.393 -1.043 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113809392 776425044 /nfs/dbraw/zinc/42/50/44/776425044.db2.gz HSTYWJKDDIMQDI-QISWUMQESA-N 1 1 308.338 -1.151 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001113826578 776426471 /nfs/dbraw/zinc/42/64/71/776426471.db2.gz ZVAZVYUVYTWRLP-HWNAMQAFSA-N 1 1 306.370 -1.114 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001113826578 776426474 /nfs/dbraw/zinc/42/64/74/776426474.db2.gz ZVAZVYUVYTWRLP-HWNAMQAFSA-N 1 1 306.370 -1.114 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113826201 776427833 /nfs/dbraw/zinc/42/78/33/776427833.db2.gz WUUIYOBEAGLGFK-PQFRYHKHSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CCC(=O)NC2=O)n1 ZINC001170339715 776428344 /nfs/dbraw/zinc/42/83/44/776428344.db2.gz HCJSFOSVZUGZMB-UHFFFAOYSA-N 1 1 324.341 -1.084 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721525 776428748 /nfs/dbraw/zinc/42/87/48/776428748.db2.gz ZBLBOFSTPVNILJ-RYUDHWBXSA-N 1 1 300.403 -1.077 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833885 776429080 /nfs/dbraw/zinc/42/90/80/776429080.db2.gz LWOSKDQZSSZMBV-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833885 776429088 /nfs/dbraw/zinc/42/90/88/776429088.db2.gz LWOSKDQZSSZMBV-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834229 776429103 /nfs/dbraw/zinc/42/91/03/776429103.db2.gz RBZCUBKTPUMEDS-ODXREFDESA-N 1 1 322.329 -2.697 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834229 776429112 /nfs/dbraw/zinc/42/91/12/776429112.db2.gz RBZCUBKTPUMEDS-ODXREFDESA-N 1 1 322.329 -2.697 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833857 776429451 /nfs/dbraw/zinc/42/94/51/776429451.db2.gz LEYRSEOWDUVZBL-IWIIMEHWSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833857 776429456 /nfs/dbraw/zinc/42/94/56/776429456.db2.gz LEYRSEOWDUVZBL-IWIIMEHWSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113842071 776429971 /nfs/dbraw/zinc/42/99/71/776429971.db2.gz METTVHKSLRMELA-SRRSOLGSSA-N 1 1 323.397 -1.290 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001113842248 776430245 /nfs/dbraw/zinc/43/02/45/776430245.db2.gz PHGVYLQVARJKOQ-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841734 776430359 /nfs/dbraw/zinc/43/03/59/776430359.db2.gz GWJIKXJRJDWQTK-MBTKJCJQSA-N 1 1 319.387 -2.750 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841734 776430367 /nfs/dbraw/zinc/43/03/67/776430367.db2.gz GWJIKXJRJDWQTK-MBTKJCJQSA-N 1 1 319.387 -2.750 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113836042 776430402 /nfs/dbraw/zinc/43/04/02/776430402.db2.gz GHHBPAANCLGSLS-ODXREFDESA-N 1 1 300.384 -1.021 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113836042 776430406 /nfs/dbraw/zinc/43/04/06/776430406.db2.gz GHHBPAANCLGSLS-ODXREFDESA-N 1 1 300.384 -1.021 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113841485 776430429 /nfs/dbraw/zinc/43/04/29/776430429.db2.gz BOCSBMSNTRQBOP-SNXWAXQRSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113841485 776430437 /nfs/dbraw/zinc/43/04/37/776430437.db2.gz BOCSBMSNTRQBOP-SNXWAXQRSA-N 1 1 320.353 -1.337 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113840363 776430669 /nfs/dbraw/zinc/43/06/69/776430669.db2.gz XTMVBEUUBISOEJ-JZYVYDRUSA-N 1 1 306.326 -1.725 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113840363 776430674 /nfs/dbraw/zinc/43/06/74/776430674.db2.gz XTMVBEUUBISOEJ-JZYVYDRUSA-N 1 1 306.326 -1.725 20 0 DAADMO Cc1nccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113852525 776431275 /nfs/dbraw/zinc/43/12/75/776431275.db2.gz LYQFCDRUBCDSOY-IWIIMEHWSA-N 1 1 304.354 -1.000 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842801 776431526 /nfs/dbraw/zinc/43/15/26/776431526.db2.gz ZSQUOTINJATMMK-KLBPJQLPSA-N 1 1 311.386 -1.255 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849396 776432573 /nfs/dbraw/zinc/43/25/73/776432573.db2.gz KSBBGMRIGZDCSJ-DNJQJEMRSA-N 1 1 311.386 -1.384 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849396 776432575 /nfs/dbraw/zinc/43/25/75/776432575.db2.gz KSBBGMRIGZDCSJ-DNJQJEMRSA-N 1 1 311.386 -1.384 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848558 776432724 /nfs/dbraw/zinc/43/27/24/776432724.db2.gz CXGRGMQKPQWVEN-IWIIMEHWSA-N 1 1 311.386 -1.432 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113878667 776433258 /nfs/dbraw/zinc/43/32/58/776433258.db2.gz PATPUPGHQPSCEK-MEWQQHAOSA-N 1 1 306.370 -1.151 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2cncn2)C1=O ZINC001113878934 776433421 /nfs/dbraw/zinc/43/34/21/776433421.db2.gz UTUZPNQPZDJMAM-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001113850487 776433541 /nfs/dbraw/zinc/43/35/41/776433541.db2.gz SZTXEBCQHFJWIX-JZYVYDRUSA-N 1 1 310.358 -2.274 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@@H]1COCCO1 ZINC001113886353 776434295 /nfs/dbraw/zinc/43/42/95/776434295.db2.gz UYFJSDFAYQWFDG-QNWHQSFQSA-N 1 1 300.355 -1.543 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113871104 776434371 /nfs/dbraw/zinc/43/43/71/776434371.db2.gz PDXBYJLQBSPFMZ-YABSGUDNSA-N 1 1 306.370 -1.197 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113889243 776434479 /nfs/dbraw/zinc/43/44/79/776434479.db2.gz WUBFFLGWGIJJBS-GDGBQDQQSA-N 1 1 320.353 -1.173 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113889243 776434484 /nfs/dbraw/zinc/43/44/84/776434484.db2.gz WUBFFLGWGIJJBS-GDGBQDQQSA-N 1 1 320.353 -1.173 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113885478 776434909 /nfs/dbraw/zinc/43/49/09/776434909.db2.gz HWVYQNSYOHLNFN-JZYVYDRUSA-N 1 1 313.383 -1.381 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113885478 776434915 /nfs/dbraw/zinc/43/49/15/776434915.db2.gz HWVYQNSYOHLNFN-JZYVYDRUSA-N 1 1 313.383 -1.381 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113903015 776435625 /nfs/dbraw/zinc/43/56/25/776435625.db2.gz ZHOUACQYQHNVSD-PQFRYHKHSA-N 1 1 310.398 -1.012 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113899158 776435640 /nfs/dbraw/zinc/43/56/40/776435640.db2.gz IWZDPYAKTJFDBG-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113899156 776435750 /nfs/dbraw/zinc/43/57/50/776435750.db2.gz IWZDPYAKTJFDBG-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113919127 776436457 /nfs/dbraw/zinc/43/64/57/776436457.db2.gz BZDCCXZVRDQGIJ-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113919127 776436462 /nfs/dbraw/zinc/43/64/62/776436462.db2.gz BZDCCXZVRDQGIJ-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113913371 776436629 /nfs/dbraw/zinc/43/66/29/776436629.db2.gz LCQWYNWRMLDAJB-KZVDOYCCSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113913371 776436637 /nfs/dbraw/zinc/43/66/37/776436637.db2.gz LCQWYNWRMLDAJB-KZVDOYCCSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113913369 776436809 /nfs/dbraw/zinc/43/68/09/776436809.db2.gz LCQWYNWRMLDAJB-CZXHOFHRSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113913369 776436814 /nfs/dbraw/zinc/43/68/14/776436814.db2.gz LCQWYNWRMLDAJB-CZXHOFHRSA-N 1 1 311.382 -1.027 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC1CC1 ZINC001113923169 776437995 /nfs/dbraw/zinc/43/79/95/776437995.db2.gz XUMQKAYCMXEEPQ-IWIIMEHWSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC1CC1 ZINC001113923169 776438001 /nfs/dbraw/zinc/43/80/01/776438001.db2.gz XUMQKAYCMXEEPQ-IWIIMEHWSA-N 1 1 310.354 -1.346 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113945839 776439148 /nfs/dbraw/zinc/43/91/48/776439148.db2.gz XECKXGFAFFFIPI-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973842 776439767 /nfs/dbraw/zinc/43/97/67/776439767.db2.gz LITCGXKCYZFVSU-SVDPJWKOSA-N 1 1 306.384 -1.915 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973842 776439770 /nfs/dbraw/zinc/43/97/70/776439770.db2.gz LITCGXKCYZFVSU-SVDPJWKOSA-N 1 1 306.384 -1.915 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113951286 776439779 /nfs/dbraw/zinc/43/97/79/776439779.db2.gz XGGFOKMSRHMZJT-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113951286 776439782 /nfs/dbraw/zinc/43/97/82/776439782.db2.gz XGGFOKMSRHMZJT-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001113968197 776440043 /nfs/dbraw/zinc/44/00/43/776440043.db2.gz FVIKJWPBIOPASC-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1C ZINC001113948445 776440249 /nfs/dbraw/zinc/44/02/49/776440249.db2.gz RSVYTIBYDZUCMO-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nn1C ZINC001113948445 776440252 /nfs/dbraw/zinc/44/02/52/776440252.db2.gz RSVYTIBYDZUCMO-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001113952713 776440564 /nfs/dbraw/zinc/44/05/64/776440564.db2.gz IZHCSLDSIIGTGK-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001113952713 776440568 /nfs/dbraw/zinc/44/05/68/776440568.db2.gz IZHCSLDSIIGTGK-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)C1=O ZINC001113974403 776441054 /nfs/dbraw/zinc/44/10/54/776441054.db2.gz VBUCIFVIUWCHIL-MIZYBKAJSA-N 1 1 315.395 -1.692 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)C1=O ZINC001113974403 776441061 /nfs/dbraw/zinc/44/10/61/776441061.db2.gz VBUCIFVIUWCHIL-MIZYBKAJSA-N 1 1 315.395 -1.692 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113973312 776441173 /nfs/dbraw/zinc/44/11/73/776441173.db2.gz AKQBKFCCJPRCRQ-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113973312 776441181 /nfs/dbraw/zinc/44/11/81/776441181.db2.gz AKQBKFCCJPRCRQ-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113973485 776441338 /nfs/dbraw/zinc/44/13/38/776441338.db2.gz DDAJQHZUAUVASQ-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113973485 776441346 /nfs/dbraw/zinc/44/13/46/776441346.db2.gz DDAJQHZUAUVASQ-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113977128 776441804 /nfs/dbraw/zinc/44/18/04/776441804.db2.gz PVECTLTUIYMVHM-UXCLJVHYSA-N 1 1 310.354 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113977128 776441811 /nfs/dbraw/zinc/44/18/11/776441811.db2.gz PVECTLTUIYMVHM-UXCLJVHYSA-N 1 1 310.354 -1.475 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114035294 776443520 /nfs/dbraw/zinc/44/35/20/776443520.db2.gz UYTUKQDJDCOBLD-UUIJZJDISA-N 1 1 313.398 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114041067 776444257 /nfs/dbraw/zinc/44/42/57/776444257.db2.gz GBSQDWDUPJNFGG-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114057008 776444656 /nfs/dbraw/zinc/44/46/56/776444656.db2.gz GTKBCHZAAIMNQC-UKKRHICBSA-N 1 1 307.354 -1.274 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114071628 776445966 /nfs/dbraw/zinc/44/59/66/776445966.db2.gz FIBMODAXOLFATQ-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nnn1C ZINC001114091242 776447040 /nfs/dbraw/zinc/44/70/40/776447040.db2.gz SWFDVDKLQIJPPR-VROVMSAKSA-N 1 1 321.341 -2.022 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nnn1C ZINC001114091242 776447043 /nfs/dbraw/zinc/44/70/43/776447043.db2.gz SWFDVDKLQIJPPR-VROVMSAKSA-N 1 1 321.341 -2.022 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114092724 776447159 /nfs/dbraw/zinc/44/71/59/776447159.db2.gz BLWRYELVAIBFNA-MSRIBSCDSA-N 1 1 312.370 -1.939 20 0 DAADMO CCOCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114092724 776447164 /nfs/dbraw/zinc/44/71/64/776447164.db2.gz BLWRYELVAIBFNA-MSRIBSCDSA-N 1 1 312.370 -1.939 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087911 776447339 /nfs/dbraw/zinc/44/73/39/776447339.db2.gz FDPCJAGSESWONZ-GDGBQDQQSA-N 1 1 306.326 -1.807 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087911 776447342 /nfs/dbraw/zinc/44/73/42/776447342.db2.gz FDPCJAGSESWONZ-GDGBQDQQSA-N 1 1 306.326 -1.807 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114092898 776447791 /nfs/dbraw/zinc/44/77/91/776447791.db2.gz FWACRGPMOLSHKV-MSRIBSCDSA-N 1 1 310.354 -2.233 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114092898 776447800 /nfs/dbraw/zinc/44/78/00/776447800.db2.gz FWACRGPMOLSHKV-MSRIBSCDSA-N 1 1 310.354 -2.233 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001114098618 776447818 /nfs/dbraw/zinc/44/78/18/776447818.db2.gz JDXQOELJVLSRJE-OZWUEAAUSA-N 1 1 324.381 -1.939 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001114098618 776447823 /nfs/dbraw/zinc/44/78/23/776447823.db2.gz JDXQOELJVLSRJE-OZWUEAAUSA-N 1 1 324.381 -1.939 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)CCO1 ZINC001114099354 776448132 /nfs/dbraw/zinc/44/81/32/776448132.db2.gz VYQNKICMRKSMFG-OZWUEAAUSA-N 1 1 324.381 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)CCO1 ZINC001114099354 776448135 /nfs/dbraw/zinc/44/81/35/776448135.db2.gz VYQNKICMRKSMFG-OZWUEAAUSA-N 1 1 324.381 -1.845 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001114099554 776448227 /nfs/dbraw/zinc/44/82/27/776448227.db2.gz ZHSPKJUYASJTNJ-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001114093800 776449004 /nfs/dbraw/zinc/44/90/04/776449004.db2.gz VSNPHBBKOZDXDQ-HBYGRHMLSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001114093800 776449009 /nfs/dbraw/zinc/44/90/09/776449009.db2.gz VSNPHBBKOZDXDQ-HBYGRHMLSA-N 1 1 308.382 -1.176 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)cc1=O ZINC001114093515 776449447 /nfs/dbraw/zinc/44/94/47/776449447.db2.gz QGCPKSIHSUXQTD-HBYGRHMLSA-N 1 1 304.350 -1.193 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001114093617 776449475 /nfs/dbraw/zinc/44/94/75/776449475.db2.gz RZRZDYHEQKDNKT-OZWUEAAUSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001114093617 776449481 /nfs/dbraw/zinc/44/94/81/776449481.db2.gz RZRZDYHEQKDNKT-OZWUEAAUSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)[nH]1 ZINC001114101398 776449508 /nfs/dbraw/zinc/44/95/08/776449508.db2.gz OQGFCXYREFGIHU-JDICNCQASA-N 1 1 319.321 -1.358 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)[nH]1 ZINC001114101398 776449513 /nfs/dbraw/zinc/44/95/13/776449513.db2.gz OQGFCXYREFGIHU-JDICNCQASA-N 1 1 319.321 -1.358 20 0 DAADMO C/C=C(/C)C(=O)NC1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC001114122609 776450288 /nfs/dbraw/zinc/45/02/88/776450288.db2.gz MIACKVAZCZHJAN-NDVHXYITSA-N 1 1 320.393 -1.043 20 0 DAADMO C/C=C(/C)C(=O)NC1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC001114122609 776450293 /nfs/dbraw/zinc/45/02/93/776450293.db2.gz MIACKVAZCZHJAN-NDVHXYITSA-N 1 1 320.393 -1.043 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001114129717 776450355 /nfs/dbraw/zinc/45/03/55/776450355.db2.gz AJUHLYXQTGWMKX-NMKXLXIOSA-N 1 1 311.382 -1.432 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n[nH]1 ZINC001114121911 776450525 /nfs/dbraw/zinc/45/05/25/776450525.db2.gz CJIQIIYIEJLHHA-IWIIMEHWSA-N 1 1 320.353 -1.498 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n[nH]1 ZINC001114121911 776450527 /nfs/dbraw/zinc/45/05/27/776450527.db2.gz CJIQIIYIEJLHHA-IWIIMEHWSA-N 1 1 320.353 -1.498 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001114121911 776450530 /nfs/dbraw/zinc/45/05/30/776450530.db2.gz CJIQIIYIEJLHHA-IWIIMEHWSA-N 1 1 320.353 -1.498 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001114121911 776450533 /nfs/dbraw/zinc/45/05/33/776450533.db2.gz CJIQIIYIEJLHHA-IWIIMEHWSA-N 1 1 320.353 -1.498 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001114129715 776450725 /nfs/dbraw/zinc/45/07/25/776450725.db2.gz AJUHLYXQTGWMKX-CIQGVGRVSA-N 1 1 311.382 -1.432 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120913 776450774 /nfs/dbraw/zinc/45/07/74/776450774.db2.gz ZXNVQVWGNFUFNL-KZWBYHQPSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120913 776450778 /nfs/dbraw/zinc/45/07/78/776450778.db2.gz ZXNVQVWGNFUFNL-KZWBYHQPSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120913 776450783 /nfs/dbraw/zinc/45/07/83/776450783.db2.gz ZXNVQVWGNFUFNL-KZWBYHQPSA-N 1 1 309.370 -1.209 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114146985 776451740 /nfs/dbraw/zinc/45/17/40/776451740.db2.gz NOMRCLZWQSSOEH-COMQUAJESA-N 1 1 324.425 -1.158 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114147080 776451813 /nfs/dbraw/zinc/45/18/13/776451813.db2.gz PGSHOPIVKGFYIO-SFDCQRBFSA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114147080 776451814 /nfs/dbraw/zinc/45/18/14/776451814.db2.gz PGSHOPIVKGFYIO-SFDCQRBFSA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114152692 776452668 /nfs/dbraw/zinc/45/26/68/776452668.db2.gz CLYUFUQZSSVSBO-IWIIMEHWSA-N 1 1 322.369 -1.445 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114152692 776452675 /nfs/dbraw/zinc/45/26/75/776452675.db2.gz CLYUFUQZSSVSBO-IWIIMEHWSA-N 1 1 322.369 -1.445 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114151276 776452707 /nfs/dbraw/zinc/45/27/07/776452707.db2.gz GIGAHEBCDKMBAZ-VIKVFOODSA-N 1 1 324.425 -1.157 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114151581 776453283 /nfs/dbraw/zinc/45/32/83/776453283.db2.gz KQVMFKRLUCVOAY-VIKVFOODSA-N 1 1 324.425 -1.110 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114151581 776453291 /nfs/dbraw/zinc/45/32/91/776453291.db2.gz KQVMFKRLUCVOAY-VIKVFOODSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)n1cncn1 ZINC001114146531 776453504 /nfs/dbraw/zinc/45/35/04/776453504.db2.gz BKVUKNIPODRALM-WUHRBBMRSA-N 1 1 309.370 -1.106 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)c1N ZINC001114157548 776454371 /nfs/dbraw/zinc/45/43/71/776454371.db2.gz HMUXFAMQKBKGMW-GDNZZTSVSA-N 1 1 309.370 -1.329 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114161241 776454417 /nfs/dbraw/zinc/45/44/17/776454417.db2.gz DAAIYZDPQHQYRS-CPOMMVLXSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114161241 776454422 /nfs/dbraw/zinc/45/44/22/776454422.db2.gz DAAIYZDPQHQYRS-CPOMMVLXSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114166602 776455212 /nfs/dbraw/zinc/45/52/12/776455212.db2.gz VGHKWTUCTVPXIY-YJQGPUDQSA-N 1 1 322.365 -1.037 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114166602 776455218 /nfs/dbraw/zinc/45/52/18/776455218.db2.gz VGHKWTUCTVPXIY-YJQGPUDQSA-N 1 1 322.365 -1.037 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC001114157957 776455331 /nfs/dbraw/zinc/45/53/31/776455331.db2.gz NRGVWCAXFKFARL-YJQGPUDQSA-N 1 1 309.370 -1.330 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001110101252 776455458 /nfs/dbraw/zinc/45/54/58/776455458.db2.gz GRFXFLDEIFIEBN-WYUUTHIRSA-N 1 1 323.397 -1.146 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114175852 776456362 /nfs/dbraw/zinc/45/63/62/776456362.db2.gz LWSVTQBIPXXXDZ-IAZYJMLFSA-N 1 1 323.353 -2.294 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114175852 776456365 /nfs/dbraw/zinc/45/63/65/776456365.db2.gz LWSVTQBIPXXXDZ-IAZYJMLFSA-N 1 1 323.353 -2.294 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)cc1=O ZINC001114175733 776456433 /nfs/dbraw/zinc/45/64/33/776456433.db2.gz JOASQFHAHWWZFO-IWIIMEHWSA-N 1 1 311.338 -1.353 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001114177863 776457350 /nfs/dbraw/zinc/45/73/50/776457350.db2.gz FGKVCSZKOAZGKW-RTUWITSCSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114177749 776457759 /nfs/dbraw/zinc/45/77/59/776457759.db2.gz CLXBFYPODVGNFW-HBYGRHMLSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114177749 776457766 /nfs/dbraw/zinc/45/77/66/776457766.db2.gz CLXBFYPODVGNFW-HBYGRHMLSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114171573 776458520 /nfs/dbraw/zinc/45/85/20/776458520.db2.gz DAJBHLFALTUIOQ-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NC ZINC001114180284 776458680 /nfs/dbraw/zinc/45/86/80/776458680.db2.gz HXSVKHXDKGBDPM-YABSGUDNSA-N 1 1 306.370 -1.020 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NC ZINC001114180284 776458684 /nfs/dbraw/zinc/45/86/84/776458684.db2.gz HXSVKHXDKGBDPM-YABSGUDNSA-N 1 1 306.370 -1.020 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114187473 776458729 /nfs/dbraw/zinc/45/87/29/776458729.db2.gz WEIUJJGYPNOABJ-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114187473 776458732 /nfs/dbraw/zinc/45/87/32/776458732.db2.gz WEIUJJGYPNOABJ-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114181107 776459519 /nfs/dbraw/zinc/45/95/19/776459519.db2.gz XKXXVNBRDPALHF-XZUYRWCXSA-N 1 1 306.370 -1.022 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2ccnn2)C1=O ZINC001114182903 776459562 /nfs/dbraw/zinc/45/95/62/776459562.db2.gz VVIGNYGHVDWSQC-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC001114182892 776459727 /nfs/dbraw/zinc/45/97/27/776459727.db2.gz VRRLIZDNWJUDFE-MQYQWHSLSA-N 1 1 311.382 -1.482 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114182635 776459841 /nfs/dbraw/zinc/45/98/41/776459841.db2.gz QFHDUMJGUHDXKZ-IMRBUKKESA-N 1 1 309.370 -1.277 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114186062 776460685 /nfs/dbraw/zinc/46/06/85/776460685.db2.gz FIPQAVWAJWVUJP-JYAVWHMHSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114186062 776460696 /nfs/dbraw/zinc/46/06/96/776460696.db2.gz FIPQAVWAJWVUJP-JYAVWHMHSA-N 1 1 318.381 -1.007 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114203604 776460724 /nfs/dbraw/zinc/46/07/24/776460724.db2.gz GURWULNWKIKKAL-SRRSOLGSSA-N 1 1 324.381 -1.087 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114203604 776460732 /nfs/dbraw/zinc/46/07/32/776460732.db2.gz GURWULNWKIKKAL-SRRSOLGSSA-N 1 1 324.381 -1.087 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001170441173 776461901 /nfs/dbraw/zinc/46/19/01/776461901.db2.gz NAFVPOITMSVABB-VIFPVBQESA-N 1 1 322.369 -1.195 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114217078 776462117 /nfs/dbraw/zinc/46/21/17/776462117.db2.gz IZKDOFFJQWXAKT-IAZYJMLFSA-N 1 1 306.370 -1.000 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114217078 776462123 /nfs/dbraw/zinc/46/21/23/776462123.db2.gz IZKDOFFJQWXAKT-IAZYJMLFSA-N 1 1 306.370 -1.000 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001170441172 776462241 /nfs/dbraw/zinc/46/22/41/776462241.db2.gz NAFVPOITMSVABB-SECBINFHSA-N 1 1 322.369 -1.195 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204798 776462466 /nfs/dbraw/zinc/46/24/66/776462466.db2.gz ZUHOMMIQFSWTFZ-KLBPJQLPSA-N 1 1 310.354 -1.381 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114217187 776462590 /nfs/dbraw/zinc/46/25/90/776462590.db2.gz LJSNHDQGBZOLCQ-QMSLJYSESA-N 1 1 307.314 -2.330 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114217187 776462596 /nfs/dbraw/zinc/46/25/96/776462596.db2.gz LJSNHDQGBZOLCQ-QMSLJYSESA-N 1 1 307.314 -2.330 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114204479 776462674 /nfs/dbraw/zinc/46/26/74/776462674.db2.gz UJXZHGJOWHHLLW-LLHIFLOGSA-N 1 1 310.354 -1.347 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114204479 776462678 /nfs/dbraw/zinc/46/26/78/776462678.db2.gz UJXZHGJOWHHLLW-LLHIFLOGSA-N 1 1 310.354 -1.347 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114211676 776463275 /nfs/dbraw/zinc/46/32/75/776463275.db2.gz CNACILMRUQVRBU-IWIIMEHWSA-N 1 1 324.381 -1.254 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 ZINC001114218017 776463379 /nfs/dbraw/zinc/46/33/79/776463379.db2.gz ZRRAOMAURCAUER-PUHVVEEASA-N 1 1 310.354 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C ZINC001114229192 776464453 /nfs/dbraw/zinc/46/44/53/776464453.db2.gz PNMVPWZVZYJLPB-LLHIFLOGSA-N 1 1 312.370 -1.495 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C ZINC001114229192 776464458 /nfs/dbraw/zinc/46/44/58/776464458.db2.gz PNMVPWZVZYJLPB-LLHIFLOGSA-N 1 1 312.370 -1.495 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1C ZINC001090476754 776464487 /nfs/dbraw/zinc/46/44/87/776464487.db2.gz DLBQUMSCQVUGEN-GHMZBOCLSA-N 1 1 310.354 -1.044 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC001114223994 776464598 /nfs/dbraw/zinc/46/45/98/776464598.db2.gz NZWFDLZUQDTTTI-VOQBNFLRSA-N 1 1 302.281 -1.117 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC001114223994 776464601 /nfs/dbraw/zinc/46/46/01/776464601.db2.gz NZWFDLZUQDTTTI-VOQBNFLRSA-N 1 1 302.281 -1.117 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114224613 776464775 /nfs/dbraw/zinc/46/47/75/776464775.db2.gz ZLSXMAZAXFSSQE-MIZYBKAJSA-N 1 1 309.370 -1.760 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1C ZINC001090476756 776464874 /nfs/dbraw/zinc/46/48/74/776464874.db2.gz DLBQUMSCQVUGEN-QWRGUYRKSA-N 1 1 310.354 -1.044 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114242041 776465678 /nfs/dbraw/zinc/46/56/78/776465678.db2.gz GUAPZVCFZMAGGW-GDGBQDQQSA-N 1 1 310.354 -1.467 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114242041 776465681 /nfs/dbraw/zinc/46/56/81/776465681.db2.gz GUAPZVCFZMAGGW-GDGBQDQQSA-N 1 1 310.354 -1.467 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114234114 776465739 /nfs/dbraw/zinc/46/57/39/776465739.db2.gz GEXVMCRADDQWQD-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114234114 776465741 /nfs/dbraw/zinc/46/57/41/776465741.db2.gz GEXVMCRADDQWQD-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266539 776466771 /nfs/dbraw/zinc/46/67/71/776466771.db2.gz RTHGYSGBBDNSBR-DCQANWLSSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266539 776466781 /nfs/dbraw/zinc/46/67/81/776466781.db2.gz RTHGYSGBBDNSBR-DCQANWLSSA-N 1 1 323.397 -1.288 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114272852 776466965 /nfs/dbraw/zinc/46/69/65/776466965.db2.gz BRQBDNRTHPEUFB-UXCLJVHYSA-N 1 1 305.400 -1.647 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114286932 776469350 /nfs/dbraw/zinc/46/93/50/776469350.db2.gz BDGGYGXTYUVYNA-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001114298565 776469616 /nfs/dbraw/zinc/46/96/16/776469616.db2.gz MPNRONTVLBDRQU-YFVNTRNASA-N 1 1 323.397 -1.432 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287402 776469726 /nfs/dbraw/zinc/46/97/26/776469726.db2.gz KNVHGHLIFYRGAY-SRRSOLGSSA-N 1 1 321.385 -1.236 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129482387 776470388 /nfs/dbraw/zinc/47/03/88/776470388.db2.gz VLVNHMSGQLVQHT-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129482387 776470395 /nfs/dbraw/zinc/47/03/95/776470395.db2.gz VLVNHMSGQLVQHT-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129481458 776470553 /nfs/dbraw/zinc/47/05/53/776470553.db2.gz LILSUGNDKAUALY-NEPJUHHUSA-N 1 1 324.385 -1.342 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090477358 776471247 /nfs/dbraw/zinc/47/12/47/776471247.db2.gz VKLLZLREEMDVTH-UWVGGRQHSA-N 1 1 320.357 -1.121 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CCOCC2=O)n1 ZINC001129550645 776472095 /nfs/dbraw/zinc/47/20/95/776472095.db2.gz ICNWDPHBZGAPKA-UHFFFAOYSA-N 1 1 310.358 -1.637 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001129568755 776473832 /nfs/dbraw/zinc/47/38/32/776473832.db2.gz BERCEAIZLVQUMP-UHFFFAOYSA-N 1 1 322.369 -1.253 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCOCC1=O)c1nncn1C ZINC001129573599 776474352 /nfs/dbraw/zinc/47/43/52/776474352.db2.gz DZUMTOUAHIKCJS-SNVBAGLBSA-N 1 1 310.358 -1.559 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1C ZINC001090478642 776475801 /nfs/dbraw/zinc/47/58/01/776475801.db2.gz HKLNBXNSMCBTOV-NWDGAFQWSA-N 1 1 324.381 -1.446 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1C ZINC001090478641 776475838 /nfs/dbraw/zinc/47/58/38/776475838.db2.gz HKLNBXNSMCBTOV-NEPJUHHUSA-N 1 1 324.381 -1.446 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1C ZINC001090478643 776475981 /nfs/dbraw/zinc/47/59/81/776475981.db2.gz HKLNBXNSMCBTOV-RYUDHWBXSA-N 1 1 324.381 -1.446 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc2n(n1)CCO2)c1nnnn1C ZINC001129558053 776475987 /nfs/dbraw/zinc/47/59/87/776475987.db2.gz RNFDXYRBNWDSBR-QMMMGPOBSA-N 1 1 306.330 -1.120 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743076 776478252 /nfs/dbraw/zinc/47/82/52/776478252.db2.gz FMQYUANTWSCVNH-VIFPVBQESA-N 1 1 308.342 -1.293 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1C ZINC001129742996 776478422 /nfs/dbraw/zinc/47/84/22/776478422.db2.gz ABGJKOVTPVYBEN-QMMMGPOBSA-N 1 1 323.357 -1.819 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001129814348 776482161 /nfs/dbraw/zinc/48/21/61/776482161.db2.gz PXXGPWMAIGUHJK-MRVPVSSYSA-N 1 1 306.330 -1.616 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)nn1 ZINC001129826178 776483458 /nfs/dbraw/zinc/48/34/58/776483458.db2.gz UAQJRJQRXVYGHJ-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CC(C)C[C@@]1(C(=O)NCC[NH2+]Cc2nnnn2C)CCNC1=O ZINC001129875226 776484852 /nfs/dbraw/zinc/48/48/52/776484852.db2.gz KYEIVJLUPKYUCB-AWEZNQCLSA-N 1 1 323.401 -1.032 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001129893676 776485378 /nfs/dbraw/zinc/48/53/78/776485378.db2.gz YCYPGMKOVQYGJA-NXEZZACHSA-N 1 1 315.399 -1.232 20 0 DAADMO CC[C@@]1(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CCNC1=O ZINC001129870500 776485544 /nfs/dbraw/zinc/48/55/44/776485544.db2.gz GCZCSHCOLUZCFS-NOZJJQNGSA-N 1 1 309.374 -1.107 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953689 776487101 /nfs/dbraw/zinc/48/71/01/776487101.db2.gz NXBLOBJOIYUAPU-SNVBAGLBSA-N 1 1 309.374 -1.014 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985129 776488302 /nfs/dbraw/zinc/48/83/02/776488302.db2.gz POZDTMZCQPXVIH-BDAKNGLRSA-N 1 1 309.330 -2.807 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985116 776488496 /nfs/dbraw/zinc/48/84/96/776488496.db2.gz OVFJFPQTWHVPJN-ZJUUUORDSA-N 1 1 323.357 -2.417 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1cn[nH]c(=O)c1 ZINC001129992582 776489846 /nfs/dbraw/zinc/48/98/46/776489846.db2.gz MESUBORHSHTYQH-UHFFFAOYSA-N 1 1 319.325 -1.177 20 0 DAADMO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)C(N)=O ZINC001129992090 776489947 /nfs/dbraw/zinc/48/99/47/776489947.db2.gz KTASEZRPEIAKSZ-UTUOFQBUSA-N 1 1 323.401 -1.555 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)COCc2nccn2C)n1 ZINC001130038504 776491011 /nfs/dbraw/zinc/49/10/11/776491011.db2.gz HKFAVAPOYZDZMJ-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O)c1nnnn1C ZINC001130050635 776491083 /nfs/dbraw/zinc/49/10/83/776491083.db2.gz DPUCKRXBLQSEGW-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCCC(=O)N1 ZINC001130035334 776491196 /nfs/dbraw/zinc/49/11/96/776491196.db2.gz QEAAZLCKRKGRHH-SNVBAGLBSA-N 1 1 322.369 -1.317 20 0 DAADMO COCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001130083853 776492389 /nfs/dbraw/zinc/49/23/89/776492389.db2.gz MVCNTWJAUOSRIJ-MNOVXSKESA-N 1 1 320.357 -1.373 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O)c1nnnn1C ZINC001130050636 776492525 /nfs/dbraw/zinc/49/25/25/776492525.db2.gz DPUCKRXBLQSEGW-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO Cc1cc(COCC(=O)NCC[NH2+]Cc2nnnn2C)no1 ZINC001130114312 776494436 /nfs/dbraw/zinc/49/44/36/776494436.db2.gz LFEIDLCIGDIZFL-UHFFFAOYSA-N 1 1 309.330 -1.071 20 0 DAADMO COCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130177733 776495494 /nfs/dbraw/zinc/49/54/94/776495494.db2.gz RHLHGVIAMYHZGW-UWVGGRQHSA-N 1 1 313.358 -1.478 20 0 DAADMO COCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130177733 776495499 /nfs/dbraw/zinc/49/54/99/776495499.db2.gz RHLHGVIAMYHZGW-UWVGGRQHSA-N 1 1 313.358 -1.478 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1ccnn1C)c1nnnn1C ZINC001130120843 776495744 /nfs/dbraw/zinc/49/57/44/776495744.db2.gz LHTMCNBOMXMCOX-SNVBAGLBSA-N 1 1 322.373 -1.073 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCNCc2nnnn2C2CC2)O1 ZINC001130180306 776495791 /nfs/dbraw/zinc/49/57/91/776495791.db2.gz MAXPBGXUADJNJB-ZYHUDNBSSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCNCc2nnnn2C2CC2)O1 ZINC001130180306 776495795 /nfs/dbraw/zinc/49/57/95/776495795.db2.gz MAXPBGXUADJNJB-ZYHUDNBSSA-N 1 1 323.401 -1.067 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090482235 776495809 /nfs/dbraw/zinc/49/58/09/776495809.db2.gz LSQAMBSOBXJMHW-ZJUUUORDSA-N 1 1 310.358 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090482235 776495811 /nfs/dbraw/zinc/49/58/11/776495811.db2.gz LSQAMBSOBXJMHW-ZJUUUORDSA-N 1 1 310.358 -1.634 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090482196 776495867 /nfs/dbraw/zinc/49/58/67/776495867.db2.gz LOHOLWJAYHMYML-KBPBESRZSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186930 776496810 /nfs/dbraw/zinc/49/68/10/776496810.db2.gz MMEFVKVQOHKPFP-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186930 776496815 /nfs/dbraw/zinc/49/68/15/776496815.db2.gz MMEFVKVQOHKPFP-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182613 776497422 /nfs/dbraw/zinc/49/74/22/776497422.db2.gz PILISUYCFQRDQL-GMTAPVOTSA-N 1 1 311.390 -1.304 20 0 DAADMO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182613 776497424 /nfs/dbraw/zinc/49/74/24/776497424.db2.gz PILISUYCFQRDQL-GMTAPVOTSA-N 1 1 311.390 -1.304 20 0 DAADMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[nH]1 ZINC001130173290 776498024 /nfs/dbraw/zinc/49/80/24/776498024.db2.gz JYJVQHRXEKDLSJ-JEZHCXPESA-N 1 1 310.358 -1.223 20 0 DAADMO NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130232473 776498822 /nfs/dbraw/zinc/49/88/22/776498822.db2.gz IJQDBEWVVJTGSE-UWVGGRQHSA-N 1 1 322.369 -1.222 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130232473 776498827 /nfs/dbraw/zinc/49/88/27/776498827.db2.gz IJQDBEWVVJTGSE-UWVGGRQHSA-N 1 1 322.369 -1.222 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C(C)(C)CN1CCOCC1)C(N)=O ZINC001130231650 776499001 /nfs/dbraw/zinc/49/90/01/776499001.db2.gz AHNOAXRQPYQAMD-NSHDSACASA-N 1 1 300.403 -1.076 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)Cc2ccc(C(N)=O)nc2)n1 ZINC001130248373 776499277 /nfs/dbraw/zinc/49/92/77/776499277.db2.gz ADIBCNOWKOSMGT-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090483580 776500553 /nfs/dbraw/zinc/50/05/53/776500553.db2.gz TYPVLOQSKIHVKV-WDEREUQCSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090483580 776500559 /nfs/dbraw/zinc/50/05/59/776500559.db2.gz TYPVLOQSKIHVKV-WDEREUQCSA-N 1 1 322.369 -1.490 20 0 DAADMO CN1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130303896 776500864 /nfs/dbraw/zinc/50/08/64/776500864.db2.gz NJKBHHVONTWQQF-NSHDSACASA-N 1 1 306.432 -1.274 20 0 DAADMO CS(=O)(=O)CCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001130333533 776503916 /nfs/dbraw/zinc/50/39/16/776503916.db2.gz APISRKSRXIRPRU-UHFFFAOYSA-N 1 1 318.355 -1.246 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342506 776505445 /nfs/dbraw/zinc/50/54/45/776505445.db2.gz LEWNECZGZWMIGD-NXEZZACHSA-N 1 1 324.385 -1.136 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1)c1nnnn1C ZINC001130364141 776506574 /nfs/dbraw/zinc/50/65/74/776506574.db2.gz LIFGVWQYAGQNHD-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001130380838 776507504 /nfs/dbraw/zinc/50/75/04/776507504.db2.gz KFSPRAPFYLEHIS-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130380838 776507506 /nfs/dbraw/zinc/50/75/06/776507506.db2.gz KFSPRAPFYLEHIS-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cc(C)on1 ZINC001130382011 776508074 /nfs/dbraw/zinc/50/80/74/776508074.db2.gz SUQNDCTXVRDGCO-UHFFFAOYSA-N 1 1 311.342 -1.559 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cscn1 ZINC001130384289 776508699 /nfs/dbraw/zinc/50/86/99/776508699.db2.gz APWAZPWKWSNPNN-UHFFFAOYSA-N 1 1 313.383 -1.399 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418282 776510292 /nfs/dbraw/zinc/51/02/92/776510292.db2.gz QDABQTBIJASZFH-MRVPVSSYSA-N 1 1 308.342 -1.954 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418282 776510294 /nfs/dbraw/zinc/51/02/94/776510294.db2.gz QDABQTBIJASZFH-MRVPVSSYSA-N 1 1 308.342 -1.954 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418283 776510363 /nfs/dbraw/zinc/51/03/63/776510363.db2.gz QDABQTBIJASZFH-QMMMGPOBSA-N 1 1 308.342 -1.954 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418283 776510371 /nfs/dbraw/zinc/51/03/71/776510371.db2.gz QDABQTBIJASZFH-QMMMGPOBSA-N 1 1 308.342 -1.954 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090484540 776511058 /nfs/dbraw/zinc/51/10/58/776511058.db2.gz BGIPAJZEOQXUTH-NEPJUHHUSA-N 1 1 316.377 -1.671 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090484513 776511132 /nfs/dbraw/zinc/51/11/32/776511132.db2.gz ZTVUNTZKRVRTNN-GHMZBOCLSA-N 1 1 320.357 -1.430 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090484546 776511583 /nfs/dbraw/zinc/51/15/83/776511583.db2.gz BGIPAJZEOQXUTH-VXGBXAGGSA-N 1 1 316.377 -1.671 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)[nH]1 ZINC001130446009 776512039 /nfs/dbraw/zinc/51/20/39/776512039.db2.gz ZKWKOTVFNTZHET-VIFPVBQESA-N 1 1 320.357 -1.121 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130481518 776513635 /nfs/dbraw/zinc/51/36/35/776513635.db2.gz VPSJREWPTTZQEZ-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130550141 776514717 /nfs/dbraw/zinc/51/47/17/776514717.db2.gz HHWLYVIGFGNSJK-UHFFFAOYSA-N 1 1 310.362 -2.810 20 0 DAADMO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090486641 776515274 /nfs/dbraw/zinc/51/52/74/776515274.db2.gz OSARVBJXUIDBMR-KBPBESRZSA-N 1 1 324.425 -1.064 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001130554088 776515994 /nfs/dbraw/zinc/51/59/94/776515994.db2.gz VLHRHELXZXNIGX-UHFFFAOYSA-N 1 1 322.413 -1.117 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553687 776516521 /nfs/dbraw/zinc/51/65/21/776516521.db2.gz LYJHQBUWKRXKFO-UHFFFAOYSA-N 1 1 309.374 -2.205 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC001090486922 776518305 /nfs/dbraw/zinc/51/83/05/776518305.db2.gz QHHCGANTTSIFTH-NWDGAFQWSA-N 1 1 320.353 -1.328 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001130588041 776518905 /nfs/dbraw/zinc/51/89/05/776518905.db2.gz KRUNQEAXDCNOFV-UHFFFAOYSA-N 1 1 308.346 -1.901 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001130590942 776519962 /nfs/dbraw/zinc/51/99/62/776519962.db2.gz NJZJTTPTVKHGJS-UHFFFAOYSA-N 1 1 322.373 -1.271 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001130615866 776521172 /nfs/dbraw/zinc/52/11/72/776521172.db2.gz UBUBSIRRBSMGDY-GHMZBOCLSA-N 1 1 311.390 -1.302 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001130615868 776522418 /nfs/dbraw/zinc/52/24/18/776522418.db2.gz UBUBSIRRBSMGDY-QWRGUYRKSA-N 1 1 311.390 -1.302 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130751989 776528109 /nfs/dbraw/zinc/52/81/09/776528109.db2.gz NNCCODIJVSWVGC-QMMMGPOBSA-N 1 1 311.346 -1.253 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)Nc1ncccn1 ZINC001130745869 776528303 /nfs/dbraw/zinc/52/83/03/776528303.db2.gz PVYMSLOIEXLTQO-MRVPVSSYSA-N 1 1 304.314 -1.059 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2cnn[nH]2)C1 ZINC001130748799 776528513 /nfs/dbraw/zinc/52/85/13/776528513.db2.gz NJWVZLPAWALJKG-VIFPVBQESA-N 1 1 316.387 -1.594 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130745791 776528885 /nfs/dbraw/zinc/52/88/85/776528885.db2.gz NBJQZRJUXDLZJK-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3cnn[nH]3)C2=O)cn1 ZINC001130748724 776529104 /nfs/dbraw/zinc/52/91/04/776529104.db2.gz KEAAADJBDYCAGR-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)C[C@@H](C)O1 ZINC001130752217 776529135 /nfs/dbraw/zinc/52/91/35/776529135.db2.gz SECLODPUFUEHHS-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130749008 776529380 /nfs/dbraw/zinc/52/93/80/776529380.db2.gz QGUNZXFBLCUPIT-UHFFFAOYSA-N 1 1 311.346 -1.394 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001130752309 776529390 /nfs/dbraw/zinc/52/93/90/776529390.db2.gz VOCUTSBZZWYGHB-ZETCQYMHSA-N 1 1 309.330 -1.499 20 0 DAADMO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)C1 ZINC001130752208 776529626 /nfs/dbraw/zinc/52/96/26/776529626.db2.gz RXOACGWRODRICQ-SECBINFHSA-N 1 1 323.357 -2.152 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1)N1CCC1 ZINC001090495035 776532189 /nfs/dbraw/zinc/53/21/89/776532189.db2.gz ASCRHQAPZXDALD-JYKNGBAOSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1)N1CCC1 ZINC001090495035 776532191 /nfs/dbraw/zinc/53/21/91/776532191.db2.gz ASCRHQAPZXDALD-JYKNGBAOSA-N 1 1 323.393 -1.338 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCCNC1=O)c1nnnn1C ZINC001130784400 776533030 /nfs/dbraw/zinc/53/30/30/776533030.db2.gz QSZNJVRXWCABLD-VIFPVBQESA-N 1 1 310.362 -1.608 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098473193 776534998 /nfs/dbraw/zinc/53/49/98/776534998.db2.gz VRRHFDOLFIGTDB-GFCCVEGCSA-N 1 1 317.386 -1.582 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC001090495963 776539473 /nfs/dbraw/zinc/53/94/73/776539473.db2.gz LFQDZHRTJMLGCD-RYUDHWBXSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC001090495963 776539478 /nfs/dbraw/zinc/53/94/78/776539478.db2.gz LFQDZHRTJMLGCD-RYUDHWBXSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC001090495962 776539804 /nfs/dbraw/zinc/53/98/04/776539804.db2.gz LFQDZHRTJMLGCD-NWDGAFQWSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC001090495962 776539814 /nfs/dbraw/zinc/53/98/14/776539814.db2.gz LFQDZHRTJMLGCD-NWDGAFQWSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC001090496481 776542535 /nfs/dbraw/zinc/54/25/35/776542535.db2.gz QEBOFDIIIDSZNY-NEPJUHHUSA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(C(N)=O)cn1C)c1nnnn1C ZINC001130892208 776543154 /nfs/dbraw/zinc/54/31/54/776543154.db2.gz SDORSIHXGFCRSH-QMMMGPOBSA-N 1 1 320.357 -1.272 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC001090496484 776543231 /nfs/dbraw/zinc/54/32/31/776543231.db2.gz QEBOFDIIIDSZNY-VXGBXAGGSA-N 1 1 324.385 -1.056 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]Cc1cnns1 ZINC001130938319 776544344 /nfs/dbraw/zinc/54/43/44/776544344.db2.gz IKMKSPQOFXIAEN-UHFFFAOYSA-N 1 1 310.339 -1.294 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001130938638 776544717 /nfs/dbraw/zinc/54/47/17/776544717.db2.gz OYXIOYSNLRXJKT-MRVPVSSYSA-N 1 1 321.341 -1.158 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001130938639 776544812 /nfs/dbraw/zinc/54/48/12/776544812.db2.gz OYXIOYSNLRXJKT-QMMMGPOBSA-N 1 1 321.341 -1.158 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nncn1C ZINC001130938295 776545169 /nfs/dbraw/zinc/54/51/69/776545169.db2.gz HXESDPLBJKDINC-VIFPVBQESA-N 1 1 321.341 -1.456 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nncn1C ZINC001130938291 776545284 /nfs/dbraw/zinc/54/52/84/776545284.db2.gz HXESDPLBJKDINC-SECBINFHSA-N 1 1 321.341 -1.456 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001130944392 776546491 /nfs/dbraw/zinc/54/64/91/776546491.db2.gz MPQMBGCQKFCIJK-UHFFFAOYSA-N 1 1 306.326 -1.412 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944290 776547201 /nfs/dbraw/zinc/54/72/01/776547201.db2.gz GMJLNQHYHFJCOZ-UHFFFAOYSA-N 1 1 307.314 -2.017 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCN2C(=O)CCC2=O)nn1 ZINC001130995057 776548387 /nfs/dbraw/zinc/54/83/87/776548387.db2.gz VNIMOEVWKUZXAH-UHFFFAOYSA-N 1 1 308.342 -1.440 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001130987604 776548789 /nfs/dbraw/zinc/54/87/89/776548789.db2.gz HAAAZWAXSMIFGA-JTQLQIEISA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCN1C(=O)CCC1=O ZINC001130995031 776549224 /nfs/dbraw/zinc/54/92/24/776549224.db2.gz VCTDDPJQDTUTGS-UHFFFAOYSA-N 1 1 309.330 -2.045 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCN1C(=O)CCC1=O ZINC001130994519 776549526 /nfs/dbraw/zinc/54/95/26/776549526.db2.gz FYQIOJYMHNBMNS-UHFFFAOYSA-N 1 1 308.342 -1.440 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCN(C(N)=O)C2)n1 ZINC001131010764 776551831 /nfs/dbraw/zinc/55/18/31/776551831.db2.gz BMSWPFHTBDAIFJ-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498675 776560803 /nfs/dbraw/zinc/56/08/03/776560803.db2.gz DPKDLXUDBDYVKE-UWVGGRQHSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498675 776560807 /nfs/dbraw/zinc/56/08/07/776560807.db2.gz DPKDLXUDBDYVKE-UWVGGRQHSA-N 1 1 321.341 -1.128 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1ccc2nnnn2c1 ZINC001131278476 776561550 /nfs/dbraw/zinc/56/15/50/776561550.db2.gz IKXLQPRIWDKABY-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2nnnn2c1 ZINC001131275714 776561888 /nfs/dbraw/zinc/56/18/88/776561888.db2.gz LXJWPCVRXWUFQS-UHFFFAOYSA-N 1 1 302.302 -1.833 20 0 DAADMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131323093 776562817 /nfs/dbraw/zinc/56/28/17/776562817.db2.gz PAZRTGAYPAOIIS-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO COCC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001131316115 776563601 /nfs/dbraw/zinc/56/36/01/776563601.db2.gz BRFYUWFZLTWTFH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](O)COC)CC1 ZINC001131316115 776563611 /nfs/dbraw/zinc/56/36/11/776563611.db2.gz BRFYUWFZLTWTFH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC[N@@H+]1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 ZINC001131322797 776563928 /nfs/dbraw/zinc/56/39/28/776563928.db2.gz BWKUGAFHQJUVGL-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO COCC[N@H+]1CCNC(=O)CCN(C(=O)CNC(C)=O)CC1 ZINC001131322797 776563936 /nfs/dbraw/zinc/56/39/36/776563936.db2.gz BWKUGAFHQJUVGL-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO C[C@H](O)CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377274 776567146 /nfs/dbraw/zinc/56/71/46/776567146.db2.gz ROLTXFXKBCMTKT-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H](O)CCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377274 776567157 /nfs/dbraw/zinc/56/71/57/776567157.db2.gz ROLTXFXKBCMTKT-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO COc1c[nH]c(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)cc1=O ZINC001131360892 776567588 /nfs/dbraw/zinc/56/75/88/776567588.db2.gz UKHOWLJQILQLHM-MRVPVSSYSA-N 1 1 321.341 -1.012 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090500303 776569242 /nfs/dbraw/zinc/56/92/42/776569242.db2.gz NHRZYNOSQCZVGN-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090500303 776569251 /nfs/dbraw/zinc/56/92/51/776569251.db2.gz NHRZYNOSQCZVGN-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090500298 776569265 /nfs/dbraw/zinc/56/92/65/776569265.db2.gz NHRZYNOSQCZVGN-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090500298 776569273 /nfs/dbraw/zinc/56/92/73/776569273.db2.gz NHRZYNOSQCZVGN-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1ncc2cccnc21 ZINC001131497401 776572681 /nfs/dbraw/zinc/57/26/81/776572681.db2.gz ZNDMSMWVOHVCII-UHFFFAOYSA-N 1 1 315.341 -1.139 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520472 776573218 /nfs/dbraw/zinc/57/32/18/776573218.db2.gz YXBDVTXLVNIMMM-GLWUULTISA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520472 776573227 /nfs/dbraw/zinc/57/32/27/776573227.db2.gz YXBDVTXLVNIMMM-GLWUULTISA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090501055 776574614 /nfs/dbraw/zinc/57/46/14/776574614.db2.gz UDCNLYXWRGEXLA-QWRGUYRKSA-N 1 1 320.357 -1.728 20 0 DAADMO CCc1cc(CC(=O)NCC[NH2+]Cc2nnnn2C)n(C)n1 ZINC001131597808 776576919 /nfs/dbraw/zinc/57/69/19/776576919.db2.gz TYMIVLIGYLWSHF-UHFFFAOYSA-N 1 1 306.374 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131642020 776578631 /nfs/dbraw/zinc/57/86/31/776578631.db2.gz WPSZFGNYRPDQDZ-JBLDHEPKSA-N 1 1 310.358 -1.533 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001131666593 776580299 /nfs/dbraw/zinc/58/02/99/776580299.db2.gz PQAUYZBAGMEKHC-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CNC(=O)C1 ZINC001131684755 776582272 /nfs/dbraw/zinc/58/22/72/776582272.db2.gz MHJBOJFSFJNKBE-CYBMUJFWSA-N 1 1 307.358 -1.260 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CCOCCO)C2)O1 ZINC001131677050 776582320 /nfs/dbraw/zinc/58/23/20/776582320.db2.gz IDJBJTFXMXCORJ-BXUZGUMPSA-N 1 1 315.370 -1.828 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001131676963 776582526 /nfs/dbraw/zinc/58/25/26/776582526.db2.gz GUASVFSVTCKNNK-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001131676963 776582529 /nfs/dbraw/zinc/58/25/29/776582529.db2.gz GUASVFSVTCKNNK-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001131698278 776584234 /nfs/dbraw/zinc/58/42/34/776584234.db2.gz XUBGLRPZIBRMMH-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)S(N)(=O)=O ZINC001131774899 776586980 /nfs/dbraw/zinc/58/69/80/776586980.db2.gz XMAFPQVXYDYZRW-QMMMGPOBSA-N 1 1 319.391 -2.127 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001131792455 776587721 /nfs/dbraw/zinc/58/77/21/776587721.db2.gz LBXZTUCLCDJCPN-HTQZYQBOSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001131792455 776587726 /nfs/dbraw/zinc/58/77/26/776587726.db2.gz LBXZTUCLCDJCPN-HTQZYQBOSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CCn1cncn1 ZINC001131792444 776587882 /nfs/dbraw/zinc/58/78/82/776587882.db2.gz KZZKXNCJMVAVFH-MNOVXSKESA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CCOCCO ZINC001131792640 776588094 /nfs/dbraw/zinc/58/80/94/776588094.db2.gz MCSVLPAABXLURE-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001131793264 776589199 /nfs/dbraw/zinc/58/91/99/776589199.db2.gz QDFGABDDMZDSAK-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001131793264 776589204 /nfs/dbraw/zinc/58/92/04/776589204.db2.gz QDFGABDDMZDSAK-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001131784005 776590682 /nfs/dbraw/zinc/59/06/82/776590682.db2.gz MPXOXMNNRWOMGP-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@H]1C ZINC001131784005 776590687 /nfs/dbraw/zinc/59/06/87/776590687.db2.gz MPXOXMNNRWOMGP-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCCc1cn[nH]n1 ZINC001131780509 776590930 /nfs/dbraw/zinc/59/09/30/776590930.db2.gz OCIDLZHJUQUSPE-UHFFFAOYSA-N 1 1 311.346 -1.582 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001131828287 776593410 /nfs/dbraw/zinc/59/34/10/776593410.db2.gz JXBIGPSNUUQQRJ-UHFFFAOYSA-N 1 1 306.352 -3.530 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CNS(=O)(=O)NC)nn1 ZINC001131831620 776595092 /nfs/dbraw/zinc/59/50/92/776595092.db2.gz KBNLHXJMVJYLJJ-UHFFFAOYSA-N 1 1 319.391 -2.442 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CNS(=O)(=O)NC)n1 ZINC001131832213 776596440 /nfs/dbraw/zinc/59/64/40/776596440.db2.gz ZLBRXNGSPSDKFF-UHFFFAOYSA-N 1 1 318.403 -1.837 20 0 DAADMO CO[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001131874315 776597696 /nfs/dbraw/zinc/59/76/96/776597696.db2.gz UWVMNVZYCLLLHP-NSHDSACASA-N 1 1 308.346 -1.463 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CCCS2(=O)=O)nn1 ZINC001131873880 776597941 /nfs/dbraw/zinc/59/79/41/776597941.db2.gz JVNZOHRBKUKOKI-LLVKDONJSA-N 1 1 315.399 -1.012 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131869281 776598315 /nfs/dbraw/zinc/59/83/15/776598315.db2.gz BWBFHKPJESTYQK-JTQLQIEISA-N 1 1 315.399 -1.012 20 0 DAADMO CO[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)N(C(C)=O)C1 ZINC001131905332 776599458 /nfs/dbraw/zinc/59/94/58/776599458.db2.gz MADFJRWQXOTPIK-QWHCGFSZSA-N 1 1 324.385 -1.343 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001131907536 776600019 /nfs/dbraw/zinc/60/00/19/776600019.db2.gz KVHGBKSFPTTZCX-SECBINFHSA-N 1 1 320.357 -1.043 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001131968072 776601768 /nfs/dbraw/zinc/60/17/68/776601768.db2.gz LBDSOZIMPUTMJZ-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCN1CCNC1=O ZINC001131965426 776601882 /nfs/dbraw/zinc/60/18/82/776601882.db2.gz VKQNHCFSWOMDLL-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503425 776602537 /nfs/dbraw/zinc/60/25/37/776602537.db2.gz JDHBTQXOSYCWDB-ITGHMWBKSA-N 1 1 321.381 -1.278 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001132005790 776602737 /nfs/dbraw/zinc/60/27/37/776602737.db2.gz CGOYBUCVXMVHFH-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001132005790 776602741 /nfs/dbraw/zinc/60/27/41/776602741.db2.gz CGOYBUCVXMVHFH-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132079356 776603568 /nfs/dbraw/zinc/60/35/68/776603568.db2.gz XCVGSCFGMJMTAQ-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132079356 776603572 /nfs/dbraw/zinc/60/35/72/776603572.db2.gz XCVGSCFGMJMTAQ-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CCO ZINC001132077667 776604389 /nfs/dbraw/zinc/60/43/89/776604389.db2.gz ILOGAIAGKFJUHP-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132037609 776604665 /nfs/dbraw/zinc/60/46/65/776604665.db2.gz FOCJFRFYHIPKEF-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132037609 776604672 /nfs/dbraw/zinc/60/46/72/776604672.db2.gz FOCJFRFYHIPKEF-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132078846 776604941 /nfs/dbraw/zinc/60/49/41/776604941.db2.gz OQNWIRMISQLXQQ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132078846 776604946 /nfs/dbraw/zinc/60/49/46/776604946.db2.gz OQNWIRMISQLXQQ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CCOCCO ZINC001132042538 776605290 /nfs/dbraw/zinc/60/52/90/776605290.db2.gz VYLXCWBCUXKTFS-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCOCCO)C1 ZINC001132082965 776605800 /nfs/dbraw/zinc/60/58/00/776605800.db2.gz KZWUALABRXOSFU-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132086643 776606782 /nfs/dbraw/zinc/60/67/82/776606782.db2.gz IAHVELYAKOUAFL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132086643 776606786 /nfs/dbraw/zinc/60/67/86/776606786.db2.gz IAHVELYAKOUAFL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132091462 776606793 /nfs/dbraw/zinc/60/67/93/776606793.db2.gz YHJJQCIXPOYVQD-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132091462 776606797 /nfs/dbraw/zinc/60/67/97/776606797.db2.gz YHJJQCIXPOYVQD-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132086641 776606876 /nfs/dbraw/zinc/60/68/76/776606876.db2.gz IAHVELYAKOUAFL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132086641 776606878 /nfs/dbraw/zinc/60/68/78/776606878.db2.gz IAHVELYAKOUAFL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCOCCO)C1 ZINC001132082961 776607221 /nfs/dbraw/zinc/60/72/21/776607221.db2.gz KZWUALABRXOSFU-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132086642 776607371 /nfs/dbraw/zinc/60/73/71/776607371.db2.gz IAHVELYAKOUAFL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132086642 776607374 /nfs/dbraw/zinc/60/73/74/776607374.db2.gz IAHVELYAKOUAFL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132200709 776610478 /nfs/dbraw/zinc/61/04/78/776610478.db2.gz SWFOFXSLMBSKFI-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132200713 776611377 /nfs/dbraw/zinc/61/13/77/776611377.db2.gz SWFOFXSLMBSKFI-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCF)C1 ZINC001132200046 776611541 /nfs/dbraw/zinc/61/15/41/776611541.db2.gz NUWUALZXUVVSNP-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCF)C1 ZINC001132200046 776611548 /nfs/dbraw/zinc/61/15/48/776611548.db2.gz NUWUALZXUVVSNP-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001132199553 776611588 /nfs/dbraw/zinc/61/15/88/776611588.db2.gz JIAIXTDXQDVJPJ-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001132199553 776611593 /nfs/dbraw/zinc/61/15/93/776611593.db2.gz JIAIXTDXQDVJPJ-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132198935 776611815 /nfs/dbraw/zinc/61/18/15/776611815.db2.gz CUHWZCFKOBOIFR-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132198935 776611819 /nfs/dbraw/zinc/61/18/19/776611819.db2.gz CUHWZCFKOBOIFR-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001132199552 776611914 /nfs/dbraw/zinc/61/19/14/776611914.db2.gz JIAIXTDXQDVJPJ-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001132199552 776611918 /nfs/dbraw/zinc/61/19/18/776611918.db2.gz JIAIXTDXQDVJPJ-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252272 776612737 /nfs/dbraw/zinc/61/27/37/776612737.db2.gz CBWPECAUKHTMPF-PWSUYJOCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252270 776613423 /nfs/dbraw/zinc/61/34/23/776613423.db2.gz CBWPECAUKHTMPF-CMPLNLGQSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1ccccc1C(N)=O ZINC001132236489 776613564 /nfs/dbraw/zinc/61/35/64/776613564.db2.gz OEVWVBKDBQEYSK-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1ccn2nnnc2c1 ZINC001132272111 776616209 /nfs/dbraw/zinc/61/62/09/776616209.db2.gz OHEYTKFHJICMSQ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317902 776617359 /nfs/dbraw/zinc/61/73/59/776617359.db2.gz OHHPCALRSUKBSM-UHFFFAOYSA-N 1 1 324.389 -2.108 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132317267 776617697 /nfs/dbraw/zinc/61/76/97/776617697.db2.gz APZPNDFILXTTLD-UHFFFAOYSA-N 1 1 322.373 -2.354 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132337170 776618932 /nfs/dbraw/zinc/61/89/32/776618932.db2.gz HGAAWAKIDYJQSL-VHSXEESVSA-N 1 1 312.349 -1.035 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337501 776619018 /nfs/dbraw/zinc/61/90/18/776619018.db2.gz LNEKIUGWGLTJGK-ZJUUUORDSA-N 1 1 309.374 -1.029 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132327316 776620125 /nfs/dbraw/zinc/62/01/25/776620125.db2.gz NPTSIWMSFHSIPF-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132327318 776620356 /nfs/dbraw/zinc/62/03/56/776620356.db2.gz NPTSIWMSFHSIPF-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132327317 776620625 /nfs/dbraw/zinc/62/06/25/776620625.db2.gz NPTSIWMSFHSIPF-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132320649 776620658 /nfs/dbraw/zinc/62/06/58/776620658.db2.gz NZBTYRFGDVHHJM-UHFFFAOYSA-N 1 1 324.389 -2.279 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)c(C)o1 ZINC001132320590 776620667 /nfs/dbraw/zinc/62/06/67/776620667.db2.gz KRYNKMVNWWDOKY-UHFFFAOYSA-N 1 1 309.370 -1.071 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132363891 776621696 /nfs/dbraw/zinc/62/16/96/776621696.db2.gz ZWZWDZWPHYOAEM-VHSXEESVSA-N 1 1 309.374 -1.200 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132349474 776622029 /nfs/dbraw/zinc/62/20/29/776622029.db2.gz GPSXLTXDVLSJPB-SECBINFHSA-N 1 1 300.338 -1.035 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132349475 776622220 /nfs/dbraw/zinc/62/22/20/776622220.db2.gz GPSXLTXDVLSJPB-VIFPVBQESA-N 1 1 300.338 -1.035 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132350844 776622296 /nfs/dbraw/zinc/62/22/96/776622296.db2.gz XWQIJEXUURQYIT-SECBINFHSA-N 1 1 310.358 -1.474 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@@H]1CCNC1=O ZINC001132359931 776623436 /nfs/dbraw/zinc/62/34/36/776623436.db2.gz UTMFKTDPXGEALD-MRVPVSSYSA-N 1 1 316.312 -1.115 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2noc3c2COCC3)NC1=O ZINC001132386496 776625399 /nfs/dbraw/zinc/62/53/99/776625399.db2.gz INHCTWFLROQUPV-NSHDSACASA-N 1 1 323.353 -1.023 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387183 776625458 /nfs/dbraw/zinc/62/54/58/776625458.db2.gz PVWZRNCUCLRJQV-JTQLQIEISA-N 1 1 324.389 -1.297 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132376045 776626180 /nfs/dbraw/zinc/62/61/80/776626180.db2.gz MMYZSBXSJGCNPQ-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387754 776626704 /nfs/dbraw/zinc/62/67/04/776626704.db2.gz ZJCKVFJUHBZJGO-SECBINFHSA-N 1 1 310.362 -1.688 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001132387757 776626989 /nfs/dbraw/zinc/62/69/89/776626989.db2.gz ZLTDYLZQVIVBSB-NSHDSACASA-N 1 1 309.374 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)CC[C@@H]1C ZINC001132380269 776627024 /nfs/dbraw/zinc/62/70/24/776627024.db2.gz HWZLUAKBWOMVQV-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCn2cnnn2)CC[C@@H]1C ZINC001132380269 776627029 /nfs/dbraw/zinc/62/70/29/776627029.db2.gz HWZLUAKBWOMVQV-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2cn(CC3CC3)nn2)NC1=O ZINC001132382856 776628341 /nfs/dbraw/zinc/62/83/41/776628341.db2.gz TXVMATLVYJNFBM-LBPRGKRZSA-N 1 1 321.385 -1.083 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCO)C1 ZINC001132499347 776629586 /nfs/dbraw/zinc/62/95/86/776629586.db2.gz GXLCCLBSTYHEAE-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)n1 ZINC001132523531 776632027 /nfs/dbraw/zinc/63/20/27/776632027.db2.gz MRSZBZKGDJXUPF-SNVBAGLBSA-N 1 1 321.316 -1.105 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2noc3c2COCC3)n1 ZINC001132527308 776633668 /nfs/dbraw/zinc/63/36/68/776633668.db2.gz UYQGNJXZWKDEGF-UHFFFAOYSA-N 1 1 307.314 -1.210 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2nnnn2C(C)(C)C)n1 ZINC001132523319 776634126 /nfs/dbraw/zinc/63/41/26/776634126.db2.gz CVXSCUXYONBTPW-UHFFFAOYSA-N 1 1 308.350 -1.529 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132600706 776635514 /nfs/dbraw/zinc/63/55/14/776635514.db2.gz YVKJOXOYIVOJAL-CMPLNLGQSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001132637778 776637385 /nfs/dbraw/zinc/63/73/85/776637385.db2.gz MAQYLAJTQDGQQP-NXEZZACHSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001132637779 776637759 /nfs/dbraw/zinc/63/77/59/776637759.db2.gz MAQYLAJTQDGQQP-UWVGGRQHSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1)c1nnnn1C ZINC001132719743 776639860 /nfs/dbraw/zinc/63/98/60/776639860.db2.gz YEZPFZGGIUPZTH-NOZJJQNGSA-N 1 1 309.374 -1.107 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763991 776640537 /nfs/dbraw/zinc/64/05/37/776640537.db2.gz FRUCVPGUZABOAA-SNVBAGLBSA-N 1 1 309.374 -1.090 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132773696 776641157 /nfs/dbraw/zinc/64/11/57/776641157.db2.gz OULDHRTWRBXLSN-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098479969 776641251 /nfs/dbraw/zinc/64/12/51/776641251.db2.gz JIUDEGVEROHPOJ-OLZOCXBDSA-N 1 1 313.398 -1.225 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001132858653 776643012 /nfs/dbraw/zinc/64/30/12/776643012.db2.gz DKRKTLTWUCPLBT-GFCCVEGCSA-N 1 1 321.443 -1.154 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001132858654 776643387 /nfs/dbraw/zinc/64/33/87/776643387.db2.gz DKRKTLTWUCPLBT-LBPRGKRZSA-N 1 1 321.443 -1.154 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNCc2nnn(C)n2)C1 ZINC001132858674 776643497 /nfs/dbraw/zinc/64/34/97/776643497.db2.gz FATZYJIMJRNELQ-LLVKDONJSA-N 1 1 311.390 -1.475 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132848368 776643735 /nfs/dbraw/zinc/64/37/35/776643735.db2.gz GPTBYVHYICJRSR-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO Cn1ncc2c1C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001132895847 776645008 /nfs/dbraw/zinc/64/50/08/776645008.db2.gz OBDMMQARWXJZJG-SNVBAGLBSA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCc3nnn(C)c3C2)nn1 ZINC001132920836 776645389 /nfs/dbraw/zinc/64/53/89/776645389.db2.gz PFSJCNKLHRASDG-SNVBAGLBSA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1ncc2c1C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001132895846 776645715 /nfs/dbraw/zinc/64/57/15/776645715.db2.gz OBDMMQARWXJZJG-JTQLQIEISA-N 1 1 318.385 -1.046 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccoc1CC(N)=O)c1nnnn1C ZINC001132951000 776647124 /nfs/dbraw/zinc/64/71/24/776647124.db2.gz XJZCFCJIQCMQRR-QMMMGPOBSA-N 1 1 321.341 -1.089 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1CCCc2n[nH]nc21 ZINC001132998217 776650264 /nfs/dbraw/zinc/65/02/64/776650264.db2.gz QEIUKZRIPFWOHQ-JTQLQIEISA-N 1 1 321.385 -1.044 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013588 776650937 /nfs/dbraw/zinc/65/09/37/776650937.db2.gz PUAJSGUQZIFSOB-UHFFFAOYSA-N 1 1 306.330 -1.143 20 0 DAADMO Cn1c(Cl)cnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111438 776652645 /nfs/dbraw/zinc/65/26/45/776652645.db2.gz BSJRBKWXEVQQJO-SSDOTTSWSA-N 1 1 300.750 -1.039 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC001098482408 776652706 /nfs/dbraw/zinc/65/27/06/776652706.db2.gz FKACSFDXAUDZEE-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO NC(=O)C[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001098482408 776652714 /nfs/dbraw/zinc/65/27/14/776652714.db2.gz FKACSFDXAUDZEE-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001098482408 776652727 /nfs/dbraw/zinc/65/27/27/776652727.db2.gz FKACSFDXAUDZEE-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)nnc1C1CCC1 ZINC001133115275 776654767 /nfs/dbraw/zinc/65/47/67/776654767.db2.gz JKPJNRLXHMZAQM-SNVBAGLBSA-N 1 1 321.385 -1.030 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)n1C1CC1 ZINC001133128459 776655497 /nfs/dbraw/zinc/65/54/97/776655497.db2.gz FBLRWZXWGCNRMK-JTQLQIEISA-N 1 1 307.358 -1.191 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CCCS(N)(=O)=O)[nH]1 ZINC001133151913 776656971 /nfs/dbraw/zinc/65/69/71/776656971.db2.gz LLWZCKONVXDIBX-QMMMGPOBSA-N 1 1 318.403 -1.051 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133152079 776657123 /nfs/dbraw/zinc/65/71/23/776657123.db2.gz PBXFZOUTFOZCCC-UHFFFAOYSA-N 1 1 318.403 -1.428 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@@H]1CNC(=O)N1 ZINC001133128726 776657329 /nfs/dbraw/zinc/65/73/29/776657329.db2.gz MLCWEMZRSGTMKH-ZETCQYMHSA-N 1 1 317.300 -1.570 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133151910 776657446 /nfs/dbraw/zinc/65/74/46/776657446.db2.gz LIZDTXAOKZQAPT-UHFFFAOYSA-N 1 1 303.388 -1.305 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)c1nnnn1C ZINC001133151925 776657654 /nfs/dbraw/zinc/65/76/54/776657654.db2.gz MFFYYMLQDPRLQV-MRVPVSSYSA-N 1 1 319.391 -1.954 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133152288 776658130 /nfs/dbraw/zinc/65/81/30/776658130.db2.gz VETNCKPVLKUTDX-UHFFFAOYSA-N 1 1 304.376 -1.910 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)[nH]c1=O ZINC001133335207 776664954 /nfs/dbraw/zinc/66/49/54/776664954.db2.gz LILZZJUBUKWZFK-UHFFFAOYSA-N 1 1 321.341 -1.233 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133335369 776665600 /nfs/dbraw/zinc/66/56/00/776665600.db2.gz RAXQWMORDHDJOC-SNVBAGLBSA-N 1 1 316.358 -1.531 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)=NC1=O ZINC001133334820 776665848 /nfs/dbraw/zinc/66/58/48/776665848.db2.gz CIJOOEQTPSPECS-UHFFFAOYSA-N 1 1 324.341 -2.597 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133509260 776666753 /nfs/dbraw/zinc/66/67/53/776666753.db2.gz MVFFIIWKWLRJMW-JTQLQIEISA-N 1 1 300.363 -1.050 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CCNC1=O ZINC001133755021 776675473 /nfs/dbraw/zinc/67/54/73/776675473.db2.gz YSJCPEGQAVFKFW-ZDUSSCGKSA-N 1 1 307.358 -1.260 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001133773495 776676423 /nfs/dbraw/zinc/67/64/23/776676423.db2.gz HWDLNTKRMCACPH-UJNFCWOMSA-N 1 1 310.358 -1.087 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1C ZINC001133773848 776676839 /nfs/dbraw/zinc/67/68/39/776676839.db2.gz NUWGMPOAMPPABB-NWDGAFQWSA-N 1 1 309.370 -1.033 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766912 776677163 /nfs/dbraw/zinc/67/71/63/776677163.db2.gz PKGKDUNYFYGXTP-ZDUSSCGKSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514702 776684852 /nfs/dbraw/zinc/68/48/52/776684852.db2.gz OUPBUJHUPSRBEO-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514702 776684857 /nfs/dbraw/zinc/68/48/57/776684857.db2.gz OUPBUJHUPSRBEO-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725862 776687988 /nfs/dbraw/zinc/68/79/88/776687988.db2.gz GCNPESSEPSOPRF-LLVKDONJSA-N 1 1 315.374 -1.533 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC[C@@H]1CCCO1 ZINC001170717854 776688076 /nfs/dbraw/zinc/68/80/76/776688076.db2.gz VUBXYCYCZDHBJJ-NSHDSACASA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134037187 776688501 /nfs/dbraw/zinc/68/85/01/776688501.db2.gz VLJZRNAHSALVEP-UHFFFAOYSA-N 1 1 308.342 -1.408 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134037187 776688504 /nfs/dbraw/zinc/68/85/04/776688504.db2.gz VLJZRNAHSALVEP-UHFFFAOYSA-N 1 1 308.342 -1.408 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134036561 776688904 /nfs/dbraw/zinc/68/89/04/776688904.db2.gz CMMYNKYBEWFJQF-LBPRGKRZSA-N 1 1 307.358 -1.299 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134036561 776688908 /nfs/dbraw/zinc/68/89/08/776688908.db2.gz CMMYNKYBEWFJQF-LBPRGKRZSA-N 1 1 307.358 -1.299 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)Cc2nnc[nH]2)CCO1 ZINC001170727201 776689210 /nfs/dbraw/zinc/68/92/10/776689210.db2.gz YPAVHBDBFOWMRP-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134037085 776689298 /nfs/dbraw/zinc/68/92/98/776689298.db2.gz QMWSBIZARVNCNT-UHFFFAOYSA-N 1 1 309.330 -2.005 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134037085 776689303 /nfs/dbraw/zinc/68/93/03/776689303.db2.gz QMWSBIZARVNCNT-UHFFFAOYSA-N 1 1 309.330 -2.005 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134014644 776689310 /nfs/dbraw/zinc/68/93/10/776689310.db2.gz XBUOLCADFUUAAB-UHFFFAOYSA-N 1 1 323.357 -1.569 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134014644 776689316 /nfs/dbraw/zinc/68/93/16/776689316.db2.gz XBUOLCADFUUAAB-UHFFFAOYSA-N 1 1 323.357 -1.569 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)c2cccnc2)n1 ZINC001134150298 776692480 /nfs/dbraw/zinc/69/24/80/776692480.db2.gz BDESHUYMSBPVNW-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001134168952 776694199 /nfs/dbraw/zinc/69/41/99/776694199.db2.gz XRKNIFNXZSOJFO-NSHDSACASA-N 1 1 324.385 -1.071 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001134352531 776697630 /nfs/dbraw/zinc/69/76/30/776697630.db2.gz MDXSZRKPKSOKBB-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001134352530 776698165 /nfs/dbraw/zinc/69/81/65/776698165.db2.gz MDXSZRKPKSOKBB-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001134352790 776698211 /nfs/dbraw/zinc/69/82/11/776698211.db2.gz NUWVBDNNXLPQHP-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001134352841 776699480 /nfs/dbraw/zinc/69/94/80/776699480.db2.gz OJCXINQMTCWISX-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001134354022 776699511 /nfs/dbraw/zinc/69/95/11/776699511.db2.gz YYROUXUSQRBCFZ-SECBINFHSA-N 1 1 303.388 -1.436 20 0 DAADMO O=C(Cc1cnc[nH]1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134393173 776702229 /nfs/dbraw/zinc/70/22/29/776702229.db2.gz LJCFUFSZJSTEQZ-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(Cc1cnc[nH]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134396877 776702334 /nfs/dbraw/zinc/70/23/34/776702334.db2.gz HATJZNDOMKGYRS-UHFFFAOYSA-N 1 1 308.342 -1.400 20 0 DAADMO O=C(Cc1cnc[nH]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001134397509 776702583 /nfs/dbraw/zinc/70/25/83/776702583.db2.gz PFPDBNOKAOCOLZ-NSHDSACASA-N 1 1 323.353 -1.832 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134396676 776702693 /nfs/dbraw/zinc/70/26/93/776702693.db2.gz CSLGHLYJTKSJRZ-GFCCVEGCSA-N 1 1 300.359 -1.318 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001134455298 776704480 /nfs/dbraw/zinc/70/44/80/776704480.db2.gz DPISWTFEHPDZFQ-XPUUQOCRSA-N 1 1 309.330 -1.522 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)on1 ZINC001134455996 776704579 /nfs/dbraw/zinc/70/45/79/776704579.db2.gz NEVSCOAPADCNGL-QMMMGPOBSA-N 1 1 311.298 -1.513 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ncccn1 ZINC001134455977 776705297 /nfs/dbraw/zinc/70/52/97/776705297.db2.gz MVGZJPREQMASNU-IUCAKERBSA-N 1 1 306.326 -1.159 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455525 776705420 /nfs/dbraw/zinc/70/54/20/776705420.db2.gz FQUCWVQRBLPCEG-QMMMGPOBSA-N 1 1 324.345 -2.113 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001134455939 776705516 /nfs/dbraw/zinc/70/55/16/776705516.db2.gz MEYHCRRCZZEDIF-VIFPVBQESA-N 1 1 323.357 -1.590 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1nccn1 ZINC001134462515 776705572 /nfs/dbraw/zinc/70/55/72/776705572.db2.gz SMVLIKRNCHAPPK-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)[nH]1 ZINC001134487046 776706697 /nfs/dbraw/zinc/70/66/97/776706697.db2.gz HFTHQLYRLFXWJE-UHFFFAOYSA-N 1 1 319.391 -2.285 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001134487531 776706743 /nfs/dbraw/zinc/70/67/43/776706743.db2.gz PHOAFDMWTCBBAJ-UHFFFAOYSA-N 1 1 319.391 -2.583 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)no1 ZINC001134486798 776706754 /nfs/dbraw/zinc/70/67/54/776706754.db2.gz ABWMPNOTUFYUFS-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1cscn1 ZINC001134490907 776707939 /nfs/dbraw/zinc/70/79/39/776707939.db2.gz HJIXIMVJARKICL-UHFFFAOYSA-N 1 1 321.428 -1.255 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001134524040 776710097 /nfs/dbraw/zinc/71/00/97/776710097.db2.gz IXBNLFAEEMRFJA-DTWKUNHWSA-N 1 1 312.378 -1.488 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001134614379 776712033 /nfs/dbraw/zinc/71/20/33/776712033.db2.gz WYUYYTDFZRQHHJ-NXEZZACHSA-N 1 1 309.374 -1.292 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCS(=O)(=O)C2)nn1 ZINC001134645095 776716467 /nfs/dbraw/zinc/71/64/67/776716467.db2.gz ZMJAYUTXJWLKLX-SNVBAGLBSA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC001134664940 776718215 /nfs/dbraw/zinc/71/82/15/776718215.db2.gz FTGQQYDOWSNVSC-UHFFFAOYSA-N 1 1 320.353 -1.663 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C2CCS(=O)(=O)CC2)nn1 ZINC001134663606 776718229 /nfs/dbraw/zinc/71/82/29/776718229.db2.gz OPZBIWPLSAYSQD-UHFFFAOYSA-N 1 1 315.399 -1.154 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)co1 ZINC001134665690 776719707 /nfs/dbraw/zinc/71/97/07/776719707.db2.gz REJSQNIKCJRWEG-UHFFFAOYSA-N 1 1 321.337 -1.100 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2cnns2)c(=O)n(C)c1=O ZINC001134665929 776720377 /nfs/dbraw/zinc/72/03/77/776720377.db2.gz VZGNTQIDOPSJFS-UHFFFAOYSA-N 1 1 324.366 -1.545 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)n1 ZINC001134714453 776721794 /nfs/dbraw/zinc/72/17/94/776721794.db2.gz RJKMDSMQFOTDKR-UHFFFAOYSA-N 1 1 322.325 -1.954 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cc(C)on1)C(N)=O ZINC001134829459 776723532 /nfs/dbraw/zinc/72/35/32/776723532.db2.gz KDFMSNNYPOCBRD-NSHDSACASA-N 1 1 311.342 -1.431 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001134842749 776724750 /nfs/dbraw/zinc/72/47/50/776724750.db2.gz DUWRYJNAFYLBJJ-YUMQZZPRSA-N 1 1 311.346 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2cccnn21 ZINC001134945501 776731168 /nfs/dbraw/zinc/73/11/68/776731168.db2.gz ZAYDPGJOLHOIFJ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134960963 776731408 /nfs/dbraw/zinc/73/14/08/776731408.db2.gz HLJKNQDGTQFUKU-UHFFFAOYSA-N 1 1 317.415 -1.046 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001135004521 776733255 /nfs/dbraw/zinc/73/32/55/776733255.db2.gz LKFOXCDBKVUNMK-UHFFFAOYSA-N 1 1 308.350 -1.774 20 0 DAADMO CN1CC[C@H](C(=O)NCC[NH2+]Cc2ccon2)S1(=O)=O ZINC001135125533 776734974 /nfs/dbraw/zinc/73/49/74/776734974.db2.gz FGLGHFDOTDOPKY-SNVBAGLBSA-N 1 1 302.356 -1.086 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2ccon2)S1(=O)=O ZINC001135125532 776735158 /nfs/dbraw/zinc/73/51/58/776735158.db2.gz FGLGHFDOTDOPKY-JTQLQIEISA-N 1 1 302.356 -1.086 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071550 776735936 /nfs/dbraw/zinc/73/59/36/776735936.db2.gz HMJLYGSBOFIUBW-BDAKNGLRSA-N 1 1 310.358 -1.123 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)Cn1ncnn1 ZINC001170794392 776737133 /nfs/dbraw/zinc/73/71/33/776737133.db2.gz CPTBWTOTLIAKNJ-JTQLQIEISA-N 1 1 322.377 -1.339 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001090521743 776737557 /nfs/dbraw/zinc/73/75/57/776737557.db2.gz CTUZDVKSDYTCGN-GZMMTYOYSA-N 1 1 321.337 -1.179 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)[nH]1 ZINC001135135108 776738710 /nfs/dbraw/zinc/73/87/10/776738710.db2.gz LOHWKYRLBTYDCT-SECBINFHSA-N 1 1 316.387 -1.647 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)[nH]1 ZINC001135268792 776745408 /nfs/dbraw/zinc/74/54/08/776745408.db2.gz HACSGFFQKMZBHH-SSDOTTSWSA-N 1 1 308.342 -1.067 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C1CC(=O)NC(=O)C1)c1nncn1C ZINC001135269221 776745741 /nfs/dbraw/zinc/74/57/41/776745741.db2.gz MYEBEPVTNFYZHX-MRVPVSSYSA-N 1 1 308.342 -1.365 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnn(C)n1 ZINC001135321485 776749983 /nfs/dbraw/zinc/74/99/83/776749983.db2.gz VUIUBBXLBHSUEL-BDAKNGLRSA-N 1 1 320.357 -1.020 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C(C)(C)N1CCOCC1 ZINC001135346851 776751207 /nfs/dbraw/zinc/75/12/07/776751207.db2.gz BLNHKKPWENKSAK-UHFFFAOYSA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)C1(C(N)=O)CC1 ZINC001135349323 776751345 /nfs/dbraw/zinc/75/13/45/776751345.db2.gz MDRPXEWELUUVFA-RKDXNWHRSA-N 1 1 309.374 -1.152 20 0 DAADMO CC(C)CCC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001135400995 776752895 /nfs/dbraw/zinc/75/28/95/776752895.db2.gz UZULDIQFQXUHHH-UHFFFAOYSA-N 1 1 311.390 -1.032 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001135381089 776753508 /nfs/dbraw/zinc/75/35/08/776753508.db2.gz MYDQYPQSBDVCBB-UHFFFAOYSA-N 1 1 324.385 -1.071 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001135385371 776754238 /nfs/dbraw/zinc/75/42/38/776754238.db2.gz ZMFZPQMRFKPEKC-LBPRGKRZSA-N 1 1 324.385 -1.604 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135457155 776756495 /nfs/dbraw/zinc/75/64/95/776756495.db2.gz KMOAVCLOSRAAJV-UHFFFAOYSA-N 1 1 324.345 -1.988 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001135440847 776757577 /nfs/dbraw/zinc/75/75/77/776757577.db2.gz UOOGMNIBIWEVBK-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135441119 776757719 /nfs/dbraw/zinc/75/77/19/776757719.db2.gz ZSUPCZCDYBNETQ-UHFFFAOYSA-N 1 1 323.357 -1.636 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)C1CCOCC1 ZINC001135474479 776757738 /nfs/dbraw/zinc/75/77/38/776757738.db2.gz QZBIWUXMYDANTJ-UHFFFAOYSA-N 1 1 324.385 -1.436 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135441075 776757833 /nfs/dbraw/zinc/75/78/33/776757833.db2.gz YXECXAKRSULOPN-UHFFFAOYSA-N 1 1 323.357 -1.383 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)nn1C ZINC001135439961 776757883 /nfs/dbraw/zinc/75/78/83/776757883.db2.gz AHCIDCPCFVOJJB-UHFFFAOYSA-N 1 1 308.342 -1.514 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)C2CCOCC2)nn1 ZINC001135473924 776757947 /nfs/dbraw/zinc/75/79/47/776757947.db2.gz ARAURXKKCJIKLG-UHFFFAOYSA-N 1 1 324.385 -1.436 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090523233 776759276 /nfs/dbraw/zinc/75/92/76/776759276.db2.gz OSIFIPIDIJVZNR-WDEREUQCSA-N 1 1 320.353 -1.479 20 0 DAADMO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2ncn[nH]2)C1 ZINC001135524446 776759557 /nfs/dbraw/zinc/75/95/57/776759557.db2.gz STXWOXKRGJSYKC-SECBINFHSA-N 1 1 316.387 -1.594 20 0 DAADMO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2nc[nH]n2)C1 ZINC001135524446 776759564 /nfs/dbraw/zinc/75/95/64/776759564.db2.gz STXWOXKRGJSYKC-SECBINFHSA-N 1 1 316.387 -1.594 20 0 DAADMO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ncn[nH]1 ZINC001135523233 776760439 /nfs/dbraw/zinc/76/04/39/776760439.db2.gz CELYBLOJGMVTDK-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1nc[nH]n1 ZINC001135523233 776760441 /nfs/dbraw/zinc/76/04/41/776760441.db2.gz CELYBLOJGMVTDK-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+]Cc2ncnn2C)ccc1=O ZINC001135482806 776760643 /nfs/dbraw/zinc/76/06/43/776760643.db2.gz KDXNWIWWTGXGRN-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)n(C)n1 ZINC001135529153 776762258 /nfs/dbraw/zinc/76/22/58/776762258.db2.gz GYRWNJGBDRIZAN-UHFFFAOYSA-N 1 1 306.330 -1.195 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2nc3ncccn3n2)nn1 ZINC001135554079 776762466 /nfs/dbraw/zinc/76/24/66/776762466.db2.gz KGSOYEDGWWOKRY-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1nc2ncccn2n1 ZINC001135553501 776762505 /nfs/dbraw/zinc/76/25/05/776762505.db2.gz BOAIXPPTZNCCCL-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001135677714 776766939 /nfs/dbraw/zinc/76/69/39/776766939.db2.gz VZYUPRXWFSEARG-UHFFFAOYSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCn1cnnn1)c1nnnn1C1CC1 ZINC001135681296 776767425 /nfs/dbraw/zinc/76/74/25/776767425.db2.gz GUOHFIGDPFECFY-VIFPVBQESA-N 1 1 320.361 -1.148 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CCn2cnnn2)nnc1C1CC1 ZINC001135684289 776767649 /nfs/dbraw/zinc/76/76/49/776767649.db2.gz FIVOXMPOAIZOBB-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001135736016 776768722 /nfs/dbraw/zinc/76/87/22/776768722.db2.gz VCRRKNKIYPVAQF-RKDXNWHRSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001135736016 776768727 /nfs/dbraw/zinc/76/87/27/776768727.db2.gz VCRRKNKIYPVAQF-RKDXNWHRSA-N 1 1 323.357 -1.157 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001098489353 776769220 /nfs/dbraw/zinc/76/92/20/776769220.db2.gz RWHAUERSYFNTDA-NSHDSACASA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2cn(C)nn2)c(=O)n1 ZINC001135832954 776772386 /nfs/dbraw/zinc/77/23/86/776772386.db2.gz FPPLTSHPHQJJNH-UHFFFAOYSA-N 1 1 319.369 -1.105 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2nncn2C)c(=O)n1 ZINC001135831495 776772827 /nfs/dbraw/zinc/77/28/27/776772827.db2.gz FMZFAOZICFQFJY-UHFFFAOYSA-N 1 1 319.369 -1.105 20 0 DAADMO O=C(C[NH2+]CCNC(=O)C(=O)NCC1CC1)Nc1ccon1 ZINC001135911029 776774690 /nfs/dbraw/zinc/77/46/90/776774690.db2.gz RXBGHGASUBTVOA-UHFFFAOYSA-N 1 1 309.326 -1.155 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCn2cnccc2=O)[nH]1 ZINC001136022014 776778446 /nfs/dbraw/zinc/77/84/46/776778446.db2.gz NKBLKOVPGVFRKN-UHFFFAOYSA-N 1 1 305.342 -1.034 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136114037 776779109 /nfs/dbraw/zinc/77/91/09/776779109.db2.gz YLVUGKALNREWEB-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136106050 776779645 /nfs/dbraw/zinc/77/96/45/776779645.db2.gz UWPLASBUUXSDJB-UHFFFAOYSA-N 1 1 323.401 -1.329 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001136129651 776780938 /nfs/dbraw/zinc/78/09/38/776780938.db2.gz NXOWFDGWPBJFJY-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[N@@H+](CC(=O)NCCCNS(C)(=O)=O)[C@@H]1CCC[C@H]1O ZINC001136164487 776782455 /nfs/dbraw/zinc/78/24/55/776782455.db2.gz WHAZLSLYKXKZII-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)c1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090531576 776783149 /nfs/dbraw/zinc/78/31/49/776783149.db2.gz MHUGAEZYNIOQGA-VXGBXAGGSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090531576 776783154 /nfs/dbraw/zinc/78/31/54/776783154.db2.gz MHUGAEZYNIOQGA-VXGBXAGGSA-N 1 1 321.381 -1.316 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532306 776783317 /nfs/dbraw/zinc/78/33/17/776783317.db2.gz BDESVQDTUGKAGX-VXGBXAGGSA-N 1 1 309.370 -1.518 20 0 DAADMO CN(C)c1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090531573 776783565 /nfs/dbraw/zinc/78/35/65/776783565.db2.gz MHUGAEZYNIOQGA-NEPJUHHUSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090531573 776783572 /nfs/dbraw/zinc/78/35/72/776783572.db2.gz MHUGAEZYNIOQGA-NEPJUHHUSA-N 1 1 321.381 -1.316 20 0 DAADMO COC(=O)CNC(=O)CNc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001170945168 776784821 /nfs/dbraw/zinc/78/48/21/776784821.db2.gz HEWZLTHLYJRWJL-UHFFFAOYSA-N 1 1 322.369 -1.071 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090532647 776785334 /nfs/dbraw/zinc/78/53/34/776785334.db2.gz DEBYCKKLCMYQSI-CHWSQXEVSA-N 1 1 307.350 -1.284 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090533026 776785422 /nfs/dbraw/zinc/78/54/22/776785422.db2.gz HORYLAZOBWGTPK-QWRGUYRKSA-N 1 1 310.358 -2.068 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090533971 776787077 /nfs/dbraw/zinc/78/70/77/776787077.db2.gz LCXGDJRXWOAWEB-NEPJUHHUSA-N 1 1 309.370 -1.463 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001090533608 776787253 /nfs/dbraw/zinc/78/72/53/776787253.db2.gz JJTIAPAGDPUOBX-ZJUUUORDSA-N 1 1 315.761 -1.427 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001090533608 776787257 /nfs/dbraw/zinc/78/72/57/776787257.db2.gz JJTIAPAGDPUOBX-ZJUUUORDSA-N 1 1 315.761 -1.427 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090538313 776788366 /nfs/dbraw/zinc/78/83/66/776788366.db2.gz QJINEZGWOUXAKV-JGVFFNPUSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090538316 776788622 /nfs/dbraw/zinc/78/86/22/776788622.db2.gz QJINEZGWOUXAKV-YUMQZZPRSA-N 1 1 313.314 -3.425 20 0 DAADMO CCn1nc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1=O ZINC000111548677 776789731 /nfs/dbraw/zinc/78/97/31/776789731.db2.gz SWFHKUGJXSBSCI-UHFFFAOYSA-N 1 1 307.354 -1.057 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090576614 776791440 /nfs/dbraw/zinc/79/14/40/776791440.db2.gz NAWDDUKPIGRUAT-JSGCOSHPSA-N 1 1 323.397 -1.299 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)[nH]1 ZINC001090574906 776791518 /nfs/dbraw/zinc/79/15/18/776791518.db2.gz ZBRDGRZNJHQLGR-SKDRFNHKSA-N 1 1 310.354 -1.339 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001090574820 776792465 /nfs/dbraw/zinc/79/24/65/776792465.db2.gz XTUOMSUOUCPIRY-CABZTGNLSA-N 1 1 310.354 -1.075 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090566225 776792510 /nfs/dbraw/zinc/79/25/10/776792510.db2.gz KKFQFCBVYZRQJF-GHMZBOCLSA-N 1 1 311.338 -1.074 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC001090589163 776793403 /nfs/dbraw/zinc/79/34/03/776793403.db2.gz JJGVCWFZQGZOPB-CHWSQXEVSA-N 1 1 317.353 -1.067 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090581124 776794623 /nfs/dbraw/zinc/79/46/23/776794623.db2.gz OLVSPVYULVVBIG-ZYHUDNBSSA-N 1 1 324.381 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC001090589164 776794653 /nfs/dbraw/zinc/79/46/53/776794653.db2.gz JJGVCWFZQGZOPB-OLZOCXBDSA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590928 776794699 /nfs/dbraw/zinc/79/46/99/776794699.db2.gz ZFZJWJLPAVBOET-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001090590928 776794701 /nfs/dbraw/zinc/79/47/01/776794701.db2.gz ZFZJWJLPAVBOET-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090599404 776795577 /nfs/dbraw/zinc/79/55/77/776795577.db2.gz FGDJOKCGUJGTOC-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610996 776796032 /nfs/dbraw/zinc/79/60/32/776796032.db2.gz XSYWBIVXBDQODP-VXGBXAGGSA-N 1 1 324.381 -1.343 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090601663 776796271 /nfs/dbraw/zinc/79/62/71/776796271.db2.gz VFBVSSMUCGENAK-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090601663 776796276 /nfs/dbraw/zinc/79/62/76/776796276.db2.gz VFBVSSMUCGENAK-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090599403 776796389 /nfs/dbraw/zinc/79/63/89/776796389.db2.gz FGDJOKCGUJGTOC-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](O)C1 ZINC001090610853 776796971 /nfs/dbraw/zinc/79/69/71/776796971.db2.gz WBWQMVGWEDWQKV-DTWKUNHWSA-N 1 1 312.326 -2.022 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)c1 ZINC001090608298 776797511 /nfs/dbraw/zinc/79/75/11/776797511.db2.gz CPUXQPZDYVQRPF-OLZOCXBDSA-N 1 1 309.366 -1.300 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)c1 ZINC001090608299 776797916 /nfs/dbraw/zinc/79/79/16/776797916.db2.gz CPUXQPZDYVQRPF-QWHCGFSZSA-N 1 1 309.366 -1.300 20 0 DAADMO COc1c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(C)nn1C ZINC001090614598 776797999 /nfs/dbraw/zinc/79/79/99/776797999.db2.gz ALKNNLIPYLIGSN-WDEREUQCSA-N 1 1 312.370 -1.106 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090640537 776799455 /nfs/dbraw/zinc/79/94/55/776799455.db2.gz JHBVAYYCXOXLSM-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090634259 776799968 /nfs/dbraw/zinc/79/99/68/776799968.db2.gz UVRJMBQNLZATPD-GHMZBOCLSA-N 1 1 312.374 -1.660 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001090640767 776799992 /nfs/dbraw/zinc/79/99/92/776799992.db2.gz KEDASTWUKLETTM-GHMZBOCLSA-N 1 1 321.337 -1.408 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090633623 776800323 /nfs/dbraw/zinc/80/03/23/776800323.db2.gz PJJBCWLRTVVSML-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090633623 776800337 /nfs/dbraw/zinc/80/03/37/776800337.db2.gz PJJBCWLRTVVSML-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)N1CCOCC1 ZINC001090640048 776800526 /nfs/dbraw/zinc/80/05/26/776800526.db2.gz FZRIZBUEOJOYHY-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090645986 776801600 /nfs/dbraw/zinc/80/16/00/776801600.db2.gz UXWONQDKHHLDRB-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090645986 776801610 /nfs/dbraw/zinc/80/16/10/776801610.db2.gz UXWONQDKHHLDRB-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090642717 776801944 /nfs/dbraw/zinc/80/19/44/776801944.db2.gz ZBNGBEKXSWYWMP-GHMZBOCLSA-N 1 1 315.345 -1.050 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2nncn2c1 ZINC001090645484 776806026 /nfs/dbraw/zinc/80/60/26/776806026.db2.gz CUOYJAGDYWIYBV-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090655903 776806875 /nfs/dbraw/zinc/80/68/75/776806875.db2.gz XDXKDPVPCPVRLI-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090655904 776807036 /nfs/dbraw/zinc/80/70/36/776807036.db2.gz XDXKDPVPCPVRLI-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090655905 776807720 /nfs/dbraw/zinc/80/77/20/776807720.db2.gz XDXKDPVPCPVRLI-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090654711 776808618 /nfs/dbraw/zinc/80/86/18/776808618.db2.gz KFYSXWAELFONAG-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090654713 776808664 /nfs/dbraw/zinc/80/86/64/776808664.db2.gz KFYSXWAELFONAG-QWRGUYRKSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090654712 776808964 /nfs/dbraw/zinc/80/89/64/776808964.db2.gz KFYSXWAELFONAG-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cc2ncccn2n1 ZINC001090659265 776809420 /nfs/dbraw/zinc/80/94/20/776809420.db2.gz FMZFPPDFTSZMDX-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001090657491 776811439 /nfs/dbraw/zinc/81/14/39/776811439.db2.gz CBTMYTSADCRFMG-GHMZBOCLSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC001090657815 776811494 /nfs/dbraw/zinc/81/14/94/776811494.db2.gz IEANFELXRSNJSX-UWVGGRQHSA-N 1 1 323.357 -2.005 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001090655945 776811564 /nfs/dbraw/zinc/81/15/64/776811564.db2.gz XWNBDUXQQKYGIQ-ZYHUDNBSSA-N 1 1 310.354 -1.580 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc2ncccn2n1 ZINC001090659263 776811845 /nfs/dbraw/zinc/81/18/45/776811845.db2.gz FMZFPPDFTSZMDX-JQWIXIFHSA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001090657485 776812011 /nfs/dbraw/zinc/81/20/11/776812011.db2.gz BZSSBVVOQOPKCZ-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001090657485 776812023 /nfs/dbraw/zinc/81/20/23/776812023.db2.gz BZSSBVVOQOPKCZ-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001090657485 776812033 /nfs/dbraw/zinc/81/20/33/776812033.db2.gz BZSSBVVOQOPKCZ-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657485 776812044 /nfs/dbraw/zinc/81/20/44/776812044.db2.gz BZSSBVVOQOPKCZ-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001090657485 776812055 /nfs/dbraw/zinc/81/20/55/776812055.db2.gz BZSSBVVOQOPKCZ-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 ZINC001090658334 776812825 /nfs/dbraw/zinc/81/28/25/776812825.db2.gz WWLAXVFAZPBRQH-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090663815 776813597 /nfs/dbraw/zinc/81/35/97/776813597.db2.gz DFNNWOZMYZGYLI-GHMZBOCLSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090663815 776813605 /nfs/dbraw/zinc/81/36/05/776813605.db2.gz DFNNWOZMYZGYLI-GHMZBOCLSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1)N1CCCC1 ZINC001090660775 776813745 /nfs/dbraw/zinc/81/37/45/776813745.db2.gz VNZGQGQZEZHYAJ-PWSUYJOCSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1)N1CCCC1 ZINC001090660775 776813756 /nfs/dbraw/zinc/81/37/56/776813756.db2.gz VNZGQGQZEZHYAJ-PWSUYJOCSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC001090660472 776813816 /nfs/dbraw/zinc/81/38/16/776813816.db2.gz SEODLGORRNNJHD-CMPLNLGQSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090663819 776813935 /nfs/dbraw/zinc/81/39/35/776813935.db2.gz DFNNWOZMYZGYLI-WDEREUQCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@H](O)C1 ZINC001090663819 776813942 /nfs/dbraw/zinc/81/39/42/776813942.db2.gz DFNNWOZMYZGYLI-WDEREUQCSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC001090660215 776814722 /nfs/dbraw/zinc/81/47/22/776814722.db2.gz OXLQEROGPXGFGQ-ONGXEEELSA-N 1 1 307.314 -1.474 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC001090660777 776814889 /nfs/dbraw/zinc/81/48/89/776814889.db2.gz VNZGQGQZEZHYAJ-ZYHUDNBSSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC001090660777 776814899 /nfs/dbraw/zinc/81/48/99/776814899.db2.gz VNZGQGQZEZHYAJ-ZYHUDNBSSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090662817 776816499 /nfs/dbraw/zinc/81/64/99/776816499.db2.gz IPLGWWMHRPZLDA-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090662817 776816506 /nfs/dbraw/zinc/81/65/06/776816506.db2.gz IPLGWWMHRPZLDA-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC001090682454 776818506 /nfs/dbraw/zinc/81/85/06/776818506.db2.gz LSVXSOAVNALPOU-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC001090682454 776818518 /nfs/dbraw/zinc/81/85/18/776818518.db2.gz LSVXSOAVNALPOU-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC001090682455 776818622 /nfs/dbraw/zinc/81/86/22/776818622.db2.gz LSVXSOAVNALPOU-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC001090682455 776818632 /nfs/dbraw/zinc/81/86/32/776818632.db2.gz LSVXSOAVNALPOU-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090676946 776821104 /nfs/dbraw/zinc/82/11/04/776821104.db2.gz WETFASYVXVHVCQ-ZYHUDNBSSA-N 1 1 310.354 -1.339 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090676944 776822762 /nfs/dbraw/zinc/82/27/62/776822762.db2.gz WETFASYVXVHVCQ-JQWIXIFHSA-N 1 1 310.354 -1.339 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](O)C1 ZINC001090709517 776827074 /nfs/dbraw/zinc/82/70/74/776827074.db2.gz NOEGANPMDUCZOL-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](O)C1 ZINC001090704553 776827231 /nfs/dbraw/zinc/82/72/31/776827231.db2.gz MZMQMECYGIEBPN-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090709350 776827716 /nfs/dbraw/zinc/82/77/16/776827716.db2.gz LULPBYNPBSYBSA-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710967 776827991 /nfs/dbraw/zinc/82/79/91/776827991.db2.gz ZFEZIQGNBIPARU-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090716314 776828532 /nfs/dbraw/zinc/82/85/32/776828532.db2.gz NQRRYXRNNVJYNJ-GHMZBOCLSA-N 1 1 320.357 -1.810 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090721508 776828678 /nfs/dbraw/zinc/82/86/78/776828678.db2.gz AGDNSYFFJFGJKZ-PSASIEDQSA-N 1 1 306.326 -1.398 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001090722475 776830322 /nfs/dbraw/zinc/83/03/22/776830322.db2.gz MERAEYIPYLMCBA-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090716563 776830939 /nfs/dbraw/zinc/83/09/39/776830939.db2.gz RCUMTPSBXCXAAJ-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090716563 776830950 /nfs/dbraw/zinc/83/09/50/776830950.db2.gz RCUMTPSBXCXAAJ-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090716563 776830962 /nfs/dbraw/zinc/83/09/62/776830962.db2.gz RCUMTPSBXCXAAJ-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001090729258 776832883 /nfs/dbraw/zinc/83/28/83/776832883.db2.gz ZTHQCZJBLWKJNO-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001090729258 776832892 /nfs/dbraw/zinc/83/28/92/776832892.db2.gz ZTHQCZJBLWKJNO-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090735237 776835526 /nfs/dbraw/zinc/83/55/26/776835526.db2.gz VUHSNXPTFNPREX-JQWIXIFHSA-N 1 1 309.370 -1.300 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090734796 776836067 /nfs/dbraw/zinc/83/60/67/776836067.db2.gz QFXMZVNWUZCETN-WCQYABFASA-N 1 1 322.365 -1.402 20 0 DAADMO Cn1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001090736714 776837390 /nfs/dbraw/zinc/83/73/90/776837390.db2.gz KAOWITBOCXTASM-OLZOCXBDSA-N 1 1 309.366 -1.067 20 0 DAADMO COc1c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cnn1C ZINC001090759960 776837998 /nfs/dbraw/zinc/83/79/98/776837998.db2.gz MZUIWVQYSXCOKN-VXGBXAGGSA-N 1 1 312.370 -1.024 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090765092 776839068 /nfs/dbraw/zinc/83/90/68/776839068.db2.gz VAEZCOUANOFJBT-WCQYABFASA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090765092 776839076 /nfs/dbraw/zinc/83/90/76/776839076.db2.gz VAEZCOUANOFJBT-WCQYABFASA-N 1 1 323.397 -1.100 20 0 DAADMO COc1c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cnn1C ZINC001090759957 776839254 /nfs/dbraw/zinc/83/92/54/776839254.db2.gz MZUIWVQYSXCOKN-NWDGAFQWSA-N 1 1 312.370 -1.024 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090765085 776839984 /nfs/dbraw/zinc/83/99/84/776839984.db2.gz VAEZCOUANOFJBT-AAEUAGOBSA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090765085 776839994 /nfs/dbraw/zinc/83/99/94/776839994.db2.gz VAEZCOUANOFJBT-AAEUAGOBSA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090765089 776840226 /nfs/dbraw/zinc/84/02/26/776840226.db2.gz VAEZCOUANOFJBT-DGCLKSJQSA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090765089 776840233 /nfs/dbraw/zinc/84/02/33/776840233.db2.gz VAEZCOUANOFJBT-DGCLKSJQSA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c(=O)n1C ZINC001090771442 776840616 /nfs/dbraw/zinc/84/06/16/776840616.db2.gz SDRDRIRHGJLMHR-STQMWFEESA-N 1 1 323.397 -1.148 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@@H]3O)nn21 ZINC001090776344 776841126 /nfs/dbraw/zinc/84/11/26/776841126.db2.gz YJNYFZOJOJCBGN-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)n1C ZINC001090771485 776842021 /nfs/dbraw/zinc/84/20/21/776842021.db2.gz SVJPZWZSTCGBNQ-QWRGUYRKSA-N 1 1 313.358 -2.566 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787924 776843161 /nfs/dbraw/zinc/84/31/61/776843161.db2.gz VUEXFGQTOOVXDB-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787924 776843171 /nfs/dbraw/zinc/84/31/71/776843171.db2.gz VUEXFGQTOOVXDB-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090789245 776844581 /nfs/dbraw/zinc/84/45/81/776844581.db2.gz FRDDRFPMFMWLFQ-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090794356 776845032 /nfs/dbraw/zinc/84/50/32/776845032.db2.gz OZYKBQXKHPZPBC-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090794521 776845125 /nfs/dbraw/zinc/84/51/25/776845125.db2.gz RAXCZXDPVRHWLJ-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090794354 776845740 /nfs/dbraw/zinc/84/57/40/776845740.db2.gz OZYKBQXKHPZPBC-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090794062 776846436 /nfs/dbraw/zinc/84/64/36/776846436.db2.gz MZECZCNPZZGNKN-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090794066 776846679 /nfs/dbraw/zinc/84/66/79/776846679.db2.gz MZECZCNPZZGNKN-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090794353 776846704 /nfs/dbraw/zinc/84/67/04/776846704.db2.gz OZYKBQXKHPZPBC-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001090794680 776846769 /nfs/dbraw/zinc/84/67/69/776846769.db2.gz RTVFOHRFQUDMCS-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090793976 776846823 /nfs/dbraw/zinc/84/68/23/776846823.db2.gz JHHDWQKTMSQYMZ-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090793695 776847115 /nfs/dbraw/zinc/84/71/15/776847115.db2.gz LDIIXAPLJHVCAO-UONOGXRCSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090794522 776847261 /nfs/dbraw/zinc/84/72/61/776847261.db2.gz RAXCZXDPVRHWLJ-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)C1=O ZINC001090795861 776848213 /nfs/dbraw/zinc/84/82/13/776848213.db2.gz ZWXNDGMWFCFQSD-NXEZZACHSA-N 1 1 314.342 -2.576 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090795432 776848435 /nfs/dbraw/zinc/84/84/35/776848435.db2.gz XAZBABAZHKOMNX-BDAKNGLRSA-N 1 1 300.315 -2.918 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090792686 776849408 /nfs/dbraw/zinc/84/94/08/776849408.db2.gz GPTJWSQUFQANNG-NXEZZACHSA-N 1 1 314.342 -2.528 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090806238 776850239 /nfs/dbraw/zinc/85/02/39/776850239.db2.gz SHDOQQWDOUJKMO-UWVGGRQHSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090806238 776850248 /nfs/dbraw/zinc/85/02/48/776850248.db2.gz SHDOQQWDOUJKMO-UWVGGRQHSA-N 1 1 314.317 -1.380 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090806865 776851085 /nfs/dbraw/zinc/85/10/85/776851085.db2.gz XCZICEFJLWYJMQ-NWDGAFQWSA-N 1 1 319.427 -1.712 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090805789 776851121 /nfs/dbraw/zinc/85/11/21/776851121.db2.gz PUXDNRMMKLUGLQ-ZJUUUORDSA-N 1 1 312.326 -2.357 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cc1 ZINC001090802876 776852201 /nfs/dbraw/zinc/85/22/01/776852201.db2.gz SYTRWWHLWIFOMB-QWHCGFSZSA-N 1 1 307.350 -1.057 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC001090808089 776852764 /nfs/dbraw/zinc/85/27/64/776852764.db2.gz GARXNZGNYOJYMJ-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC001090808089 776852774 /nfs/dbraw/zinc/85/27/74/776852774.db2.gz GARXNZGNYOJYMJ-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c[nH]1 ZINC001090812461 776853215 /nfs/dbraw/zinc/85/32/15/776853215.db2.gz GNIVVARDGNZLHI-CMPLNLGQSA-N 1 1 310.354 -1.339 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001090808087 776853521 /nfs/dbraw/zinc/85/35/21/776853521.db2.gz GARXNZGNYOJYMJ-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001090808087 776853530 /nfs/dbraw/zinc/85/35/30/776853530.db2.gz GARXNZGNYOJYMJ-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC001136976739 776854119 /nfs/dbraw/zinc/85/41/19/776854119.db2.gz ABHWHQLDUCUBBO-UNNXFLIFSA-N 1 1 324.381 -1.064 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090808200 776854145 /nfs/dbraw/zinc/85/41/45/776854145.db2.gz HKOVINMSWPBWNC-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090808200 776854154 /nfs/dbraw/zinc/85/41/54/776854154.db2.gz HKOVINMSWPBWNC-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808391 776854669 /nfs/dbraw/zinc/85/46/69/776854669.db2.gz KAIAQBQWWOCYGG-RYUDHWBXSA-N 1 1 309.370 -1.511 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090819505 776855140 /nfs/dbraw/zinc/85/51/40/776855140.db2.gz BWWZFJXNXGUHNF-NWDGAFQWSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001090821246 776857018 /nfs/dbraw/zinc/85/70/18/776857018.db2.gz ZHPLFKBAJLZCDO-STQMWFEESA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001288148899 777894840 /nfs/dbraw/zinc/89/48/40/777894840.db2.gz SUNDMMFZJNLADD-SNVBAGLBSA-N 1 1 302.375 -1.910 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001288147152 777895622 /nfs/dbraw/zinc/89/56/22/777895622.db2.gz DWASLOAQVGJNLD-NSHDSACASA-N 1 1 316.402 -1.519 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)C(N)=O ZINC001288146830 777895753 /nfs/dbraw/zinc/89/57/53/777895753.db2.gz GOSUJSWQYNEUQZ-MNOVXSKESA-N 1 1 314.386 -1.766 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C(N)=O ZINC001288252046 777898314 /nfs/dbraw/zinc/89/83/14/777898314.db2.gz LULPNQSWWUNWHG-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001288589831 777901538 /nfs/dbraw/zinc/90/15/38/777901538.db2.gz MMDIGTJSOMPQJM-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001291749415 777926450 /nfs/dbraw/zinc/92/64/50/777926450.db2.gz DXFOFJHQUZSUKJ-CQSZACIVSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1nccc1C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001292561085 777934526 /nfs/dbraw/zinc/93/45/26/777934526.db2.gz FMKKVTHHVJCWLH-UHFFFAOYSA-N 1 1 309.370 -1.012 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001292541952 777934632 /nfs/dbraw/zinc/93/46/32/777934632.db2.gz SBQIBHUDKTXELK-UHFFFAOYSA-N 1 1 316.358 -1.703 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001292584574 777936288 /nfs/dbraw/zinc/93/62/88/777936288.db2.gz ORINUIJCQOLOBQ-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nccnc2N)C1 ZINC001292595420 777937088 /nfs/dbraw/zinc/93/70/88/777937088.db2.gz GVGNJCTZVHJZGD-JTQLQIEISA-N 1 1 322.369 -1.375 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nccnc2N)C1 ZINC001292595420 777937096 /nfs/dbraw/zinc/93/70/96/777937096.db2.gz GVGNJCTZVHJZGD-JTQLQIEISA-N 1 1 322.369 -1.375 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001292608993 777938311 /nfs/dbraw/zinc/93/83/11/777938311.db2.gz ULWVPUUTADVCQI-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001292608993 777938317 /nfs/dbraw/zinc/93/83/17/777938317.db2.gz ULWVPUUTADVCQI-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001292609242 777938492 /nfs/dbraw/zinc/93/84/92/777938492.db2.gz ZNZIUPXBEIGTMO-LBPRGKRZSA-N 1 1 322.365 -1.438 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001292609242 777938498 /nfs/dbraw/zinc/93/84/98/777938498.db2.gz ZNZIUPXBEIGTMO-LBPRGKRZSA-N 1 1 322.365 -1.438 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001292609241 777938836 /nfs/dbraw/zinc/93/88/36/777938836.db2.gz ZNZIUPXBEIGTMO-GFCCVEGCSA-N 1 1 322.365 -1.438 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001292609241 777938840 /nfs/dbraw/zinc/93/88/40/777938840.db2.gz ZNZIUPXBEIGTMO-GFCCVEGCSA-N 1 1 322.365 -1.438 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001292767483 777946527 /nfs/dbraw/zinc/94/65/27/777946527.db2.gz KDHDJWWZMPUCAK-SNVBAGLBSA-N 1 1 323.353 -1.867 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)CCNS(C)(=O)=O)C1 ZINC001292767301 777946557 /nfs/dbraw/zinc/94/65/57/777946557.db2.gz IVMZDXYZLPUGIE-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)CCCS(C)(=O)=O)C1 ZINC001292767620 777946591 /nfs/dbraw/zinc/94/65/91/777946591.db2.gz LFNSMASASMECEZ-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001292769817 777946798 /nfs/dbraw/zinc/94/67/98/777946798.db2.gz KYKYZORMABFYMY-LLVKDONJSA-N 1 1 307.354 -1.050 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)CCCS(N)(=O)=O)C1 ZINC001292768363 777947266 /nfs/dbraw/zinc/94/72/66/777947266.db2.gz SNJVNXOQNLRFTK-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001292768581 777947369 /nfs/dbraw/zinc/94/73/69/777947369.db2.gz WVXQCFGVYBXDPP-SECBINFHSA-N 1 1 321.403 -2.776 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)CCNS(C)(=O)=O)C1 ZINC001292767321 777947476 /nfs/dbraw/zinc/94/74/76/777947476.db2.gz IVMZDXYZLPUGIE-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cncn2C)C1 ZINC001292815457 777948451 /nfs/dbraw/zinc/94/84/51/777948451.db2.gz MVDCGOOPFMHGJR-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cncn2C)C1 ZINC001292815457 777948455 /nfs/dbraw/zinc/94/84/55/777948455.db2.gz MVDCGOOPFMHGJR-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)CNC(=O)NC ZINC001292859055 777950942 /nfs/dbraw/zinc/95/09/42/777950942.db2.gz ZCLSFFPCFYCCEK-UHFFFAOYSA-N 1 1 301.391 -1.122 20 0 DAADMO Cn1nnc(C(=O)NCCNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001292915977 777954694 /nfs/dbraw/zinc/95/46/94/777954694.db2.gz KILFYUAECUGWOI-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)C(=O)NCC(F)F ZINC001292944682 777955086 /nfs/dbraw/zinc/95/50/86/777955086.db2.gz IOZUUWXUNVUURL-UHFFFAOYSA-N 1 1 308.329 -1.058 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001293213627 777965647 /nfs/dbraw/zinc/96/56/47/777965647.db2.gz PXQUJZMTSFKHGC-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001293213627 777965656 /nfs/dbraw/zinc/96/56/56/777965656.db2.gz PXQUJZMTSFKHGC-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CN1C[C@@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)NC1=O ZINC001293334475 777968037 /nfs/dbraw/zinc/96/80/37/777968037.db2.gz SWYTWUFFRUXDKB-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCCNC(=O)c2nnn(C)n2)CC[N@H+]1C ZINC001293358132 777968374 /nfs/dbraw/zinc/96/83/74/777968374.db2.gz KRZWXGSRWCYBQS-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO CN1C[C@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)NC1=O ZINC001293334473 777968630 /nfs/dbraw/zinc/96/86/30/777968630.db2.gz SWYTWUFFRUXDKB-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001295731618 778013664 /nfs/dbraw/zinc/01/36/64/778013664.db2.gz JGUNNADRGSPVQM-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO CN(CCNC(=O)CC(N)=O)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001296029558 778017631 /nfs/dbraw/zinc/01/76/31/778017631.db2.gz XSYHLUKDVFPYQQ-NSHDSACASA-N 1 1 324.385 -1.737 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001297092451 778037940 /nfs/dbraw/zinc/03/79/40/778037940.db2.gz SXESAWMJHWBWEN-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)C(N)=O ZINC001297432069 778046126 /nfs/dbraw/zinc/04/61/26/778046126.db2.gz RCCRWNZJUJCAAC-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001298149157 778059902 /nfs/dbraw/zinc/05/99/02/778059902.db2.gz PFDOPFGFFYFVNS-STQMWFEESA-N 1 1 322.365 -1.379 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(N)=O)CC[N@H+]1C ZINC001298165711 778062612 /nfs/dbraw/zinc/06/26/12/778062612.db2.gz XUGOHEKQTYJFNJ-KXUCPTDWSA-N 1 1 300.359 -2.205 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001298181448 778064348 /nfs/dbraw/zinc/06/43/48/778064348.db2.gz BLWRXUQYEWEALW-UWVGGRQHSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001298181449 778064648 /nfs/dbraw/zinc/06/46/48/778064648.db2.gz BLWRXUQYEWEALW-VHSXEESVSA-N 1 1 300.359 -2.062 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)CN1CN=NC1=O ZINC001298313066 778070365 /nfs/dbraw/zinc/07/03/65/778070365.db2.gz SLHYCWUGXOULEU-QUCGXOGASA-N 1 1 322.369 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CN1CN=NC1=O ZINC001298313065 778070494 /nfs/dbraw/zinc/07/04/94/778070494.db2.gz SLHYCWUGXOULEU-OTDNITJGSA-N 1 1 322.369 -1.134 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)CS(C)(=O)=O ZINC001298293083 778070960 /nfs/dbraw/zinc/07/09/60/778070960.db2.gz PINUVQSZSHDXQE-UFFNRZRYSA-N 1 1 317.411 -1.086 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001298438530 778074920 /nfs/dbraw/zinc/07/49/20/778074920.db2.gz WVAPSBJRVIGMGU-UHFFFAOYSA-N 1 1 309.370 -1.756 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)Cn1ncnn1 ZINC001298420293 778075359 /nfs/dbraw/zinc/07/53/59/778075359.db2.gz WBSGIAYKFHPIRU-KXMPLOMGSA-N 1 1 307.358 -1.444 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNC(=O)Cn1ncnn1 ZINC001298420474 778075510 /nfs/dbraw/zinc/07/55/10/778075510.db2.gz XKZFVYPANPCPID-MVZIDQBPSA-N 1 1 321.385 -1.054 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298781352 778085955 /nfs/dbraw/zinc/08/59/55/778085955.db2.gz PZHQNHXDDBPZRQ-UWVGGRQHSA-N 1 1 324.381 -1.388 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001306836584 778101945 /nfs/dbraw/zinc/10/19/45/778101945.db2.gz PULPHJVIMKEHFD-AWEZNQCLSA-N 1 1 309.370 -1.566 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC001307619099 778102210 /nfs/dbraw/zinc/10/22/10/778102210.db2.gz WCSOREBNGRAEIX-RKDXNWHRSA-N 1 1 304.372 -1.320 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC001307619099 778102212 /nfs/dbraw/zinc/10/22/12/778102212.db2.gz WCSOREBNGRAEIX-RKDXNWHRSA-N 1 1 304.372 -1.320 20 0 DAADMO NS(=O)(=O)CCCCS(=O)(=O)NCC[NH+]1CC=CC1 ZINC001309238547 778103556 /nfs/dbraw/zinc/10/35/56/778103556.db2.gz SQYCYBCIRVUUJC-UHFFFAOYSA-N 1 1 311.429 -1.154 20 0 DAADMO Cc1nn(CCS(=O)(=O)NCC[NH+]2CC=CC2)c(=O)o1 ZINC001119609130 779508574 /nfs/dbraw/zinc/50/85/74/779508574.db2.gz ITQWBIMFFIMRRR-UHFFFAOYSA-N 1 1 302.356 -1.064 20 0 DAADMO Cn1cc([C@@H](O)C(=O)NCC[N@@H+](C)CCOCCO)cn1 ZINC001119613289 779508767 /nfs/dbraw/zinc/50/87/67/779508767.db2.gz XOWWVRADUJFVQR-GFCCVEGCSA-N 1 1 300.359 -1.490 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)/C=C\CN2CCOCC2)CC1 ZINC001119656259 779510781 /nfs/dbraw/zinc/51/07/81/779510781.db2.gz YTWRBFMDQMFOET-UPHRSURJSA-N 1 1 310.398 -1.059 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001119832484 779513444 /nfs/dbraw/zinc/51/34/44/779513444.db2.gz HXBOKUGUDJVMRL-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001119832484 779513452 /nfs/dbraw/zinc/51/34/52/779513452.db2.gz HXBOKUGUDJVMRL-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001119832483 779513769 /nfs/dbraw/zinc/51/37/69/779513769.db2.gz HXBOKUGUDJVMRL-TUAOUCFPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001119832483 779513775 /nfs/dbraw/zinc/51/37/75/779513775.db2.gz HXBOKUGUDJVMRL-TUAOUCFPSA-N 1 1 308.382 -1.066 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC001119912406 779514500 /nfs/dbraw/zinc/51/45/00/779514500.db2.gz YRKTYJYEAFWWDT-MXWKQRLJSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC001119912406 779514509 /nfs/dbraw/zinc/51/45/09/779514509.db2.gz YRKTYJYEAFWWDT-MXWKQRLJSA-N 1 1 313.354 -1.404 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001119884675 779515460 /nfs/dbraw/zinc/51/54/60/779515460.db2.gz GZALXJHSFVYVQW-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001119884675 779515463 /nfs/dbraw/zinc/51/54/63/779515463.db2.gz GZALXJHSFVYVQW-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO O=C1C[C@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1CCCO ZINC001120080739 779515849 /nfs/dbraw/zinc/51/58/49/779515849.db2.gz XYCYDNHBWBHSQC-AXFHLTTASA-N 1 1 316.379 -1.527 20 0 DAADMO O=C1C[C@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1CCCO ZINC001120080739 779515852 /nfs/dbraw/zinc/51/58/52/779515852.db2.gz XYCYDNHBWBHSQC-AXFHLTTASA-N 1 1 316.379 -1.527 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119992140 779515970 /nfs/dbraw/zinc/51/59/70/779515970.db2.gz AUQDNVWWNXIDGG-GHMZBOCLSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119992142 779516073 /nfs/dbraw/zinc/51/60/73/779516073.db2.gz AUQDNVWWNXIDGG-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001120332033 779517460 /nfs/dbraw/zinc/51/74/60/779517460.db2.gz AZYCBBHFGQQDEW-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001120332033 779517467 /nfs/dbraw/zinc/51/74/67/779517467.db2.gz AZYCBBHFGQQDEW-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001120298711 779518068 /nfs/dbraw/zinc/51/80/68/779518068.db2.gz YVINCAGVMWDZHO-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001120298711 779518070 /nfs/dbraw/zinc/51/80/70/779518070.db2.gz YVINCAGVMWDZHO-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC=C[C@@H]1CO ZINC001120388338 779519744 /nfs/dbraw/zinc/51/97/44/779519744.db2.gz MFMJACGSNFJMAH-ZIAGYGMSSA-N 1 1 323.393 -1.197 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC=C[C@H]1CO ZINC001120388337 779520403 /nfs/dbraw/zinc/52/04/03/779520403.db2.gz MFMJACGSNFJMAH-UONOGXRCSA-N 1 1 323.393 -1.197 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC=C[C@@H]1CO ZINC001120490216 779523364 /nfs/dbraw/zinc/52/33/64/779523364.db2.gz DWIZMKCJKOWWAT-ZIAGYGMSSA-N 1 1 323.393 -1.074 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001120514989 779523443 /nfs/dbraw/zinc/52/34/43/779523443.db2.gz MBGXGEVKWUQCCG-QWHCGFSZSA-N 1 1 311.430 -1.454 20 0 DAADMO CC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]Cc1nnn(C)n1)C2 ZINC001120540517 779524398 /nfs/dbraw/zinc/52/43/98/779524398.db2.gz UHEKFUGITHKHFX-UHFFFAOYSA-N 1 1 321.385 -1.137 20 0 DAADMO CCc1cc(N[C@@H](CO)CNC(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001121017633 779528546 /nfs/dbraw/zinc/52/85/46/779528546.db2.gz HKFRQVSRLWYGJJ-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO Cc1nc(N[C@@H](CO)CNC(=O)CNC(N)=O)c(C)c(C)[nH+]1 ZINC001121017898 779528763 /nfs/dbraw/zinc/52/87/63/779528763.db2.gz IXOFYNXIMZWTKG-SNVBAGLBSA-N 1 1 310.358 -1.041 20 0 DAADMO CCc1cc(N[C@H](CO)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001121026090 779529206 /nfs/dbraw/zinc/52/92/06/779529206.db2.gz VXEZTEJEKRVZNN-NSHDSACASA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1nc(NC(=O)C(=O)N2CCN(C)CC[N@H+](C)CC2)nn1C ZINC001121034272 779529469 /nfs/dbraw/zinc/52/94/69/779529469.db2.gz HFNAUBLNLSEJHZ-UHFFFAOYSA-N 1 1 323.401 -1.232 20 0 DAADMO Cc1nc(NC(=O)C(=O)N2CCN(C)CC[N@@H+](C)CC2)nn1C ZINC001121034272 779529476 /nfs/dbraw/zinc/52/94/76/779529476.db2.gz HFNAUBLNLSEJHZ-UHFFFAOYSA-N 1 1 323.401 -1.232 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001121025232 779529789 /nfs/dbraw/zinc/52/97/89/779529789.db2.gz QZOCHLJUGMUZFP-JTQLQIEISA-N 1 1 306.330 -1.331 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248946 779535255 /nfs/dbraw/zinc/53/52/55/779535255.db2.gz GKEKRKKAYDJBIN-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248946 779535262 /nfs/dbraw/zinc/53/52/62/779535262.db2.gz GKEKRKKAYDJBIN-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001121243598 779535343 /nfs/dbraw/zinc/53/53/43/779535343.db2.gz VRTCZJLZLJEFIR-NXEZZACHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241422 779536017 /nfs/dbraw/zinc/53/60/17/779536017.db2.gz NNNSDVZLODDYHA-GHMZBOCLSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241422 779536024 /nfs/dbraw/zinc/53/60/24/779536024.db2.gz NNNSDVZLODDYHA-GHMZBOCLSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001121590608 779545965 /nfs/dbraw/zinc/54/59/65/779545965.db2.gz KDGKQKXGZZXZSP-UWVGGRQHSA-N 1 1 320.357 -1.640 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001121888566 779550817 /nfs/dbraw/zinc/55/08/17/779550817.db2.gz VKFPPCRXDJXNJC-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001122026016 779552906 /nfs/dbraw/zinc/55/29/06/779552906.db2.gz OVQPWYUKTUMXIU-AWEZNQCLSA-N 1 1 315.370 -1.390 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001122026088 779553456 /nfs/dbraw/zinc/55/34/56/779553456.db2.gz AJKNRSCQNOXBMJ-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO CS(=O)(=O)[C@@H]1CN(C(=O)C[NH2+]CCN)C[C@H]1C(F)(F)F ZINC001122059201 779554561 /nfs/dbraw/zinc/55/45/61/779554561.db2.gz JSUUTBPLFYKBQI-HTQZYQBOSA-N 1 1 317.333 -1.031 20 0 DAADMO CCc1nc(N[C@@H](CO)CNC(=O)Cn2ncnn2)cc(C)[nH+]1 ZINC001122077146 779554966 /nfs/dbraw/zinc/55/49/66/779554966.db2.gz DKHHWMLLHQCFMT-SNVBAGLBSA-N 1 1 320.357 -1.077 20 0 DAADMO CCc1cc(N[C@@H](CO)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001122078271 779555494 /nfs/dbraw/zinc/55/54/94/779555494.db2.gz ROLNNTNGFJTWAX-LLVKDONJSA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001122077748 779555681 /nfs/dbraw/zinc/55/56/81/779555681.db2.gz METPAXMMGNEUEI-SNVBAGLBSA-N 1 1 306.330 -1.331 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001149095363 779559193 /nfs/dbraw/zinc/55/91/93/779559193.db2.gz YVHMEZKWNNGSNJ-RKDXNWHRSA-N 1 1 312.378 -1.186 20 0 DAADMO CCc1cc(N[C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122438645 779566070 /nfs/dbraw/zinc/56/60/70/779566070.db2.gz VXODCYRISCLDJR-QWRGUYRKSA-N 1 1 322.369 -1.082 20 0 DAADMO CCc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122438644 779566405 /nfs/dbraw/zinc/56/64/05/779566405.db2.gz VXODCYRISCLDJR-MNOVXSKESA-N 1 1 322.369 -1.082 20 0 DAADMO CC(=O)NCC(=O)NCC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001122675163 779571231 /nfs/dbraw/zinc/57/12/31/779571231.db2.gz JVIHYYRVHFJAKS-UHFFFAOYSA-N 1 1 321.341 -1.589 20 0 DAADMO CC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001122675003 779571453 /nfs/dbraw/zinc/57/14/53/779571453.db2.gz GJTBQOKVJLNYHD-UHFFFAOYSA-N 1 1 323.279 -1.423 20 0 DAADMO O=C(Cn1cccn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123515310 779583469 /nfs/dbraw/zinc/58/34/69/779583469.db2.gz KZGKMRRQUPJCLP-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO Cc1cc(NC[C@@H](O)CN(C)C(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001124076617 779590871 /nfs/dbraw/zinc/59/08/71/779590871.db2.gz KQVHOXCNVBHFFM-SNVBAGLBSA-N 1 1 310.358 -1.007 20 0 DAADMO COC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001124187118 779592533 /nfs/dbraw/zinc/59/25/33/779592533.db2.gz YDRPUGSQFGAEQQ-UHFFFAOYSA-N 1 1 313.362 -1.010 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CS(C)(=O)=O)nnc1C1CC1 ZINC001124355983 779596048 /nfs/dbraw/zinc/59/60/48/779596048.db2.gz LGYFDYCUJZSASH-UHFFFAOYSA-N 1 1 315.399 -1.057 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CS(C)(=O)=O)n1C ZINC001124355713 779596103 /nfs/dbraw/zinc/59/61/03/779596103.db2.gz IDLKGXPDJGEZCS-UHFFFAOYSA-N 1 1 303.388 -1.372 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001202832578 779611646 /nfs/dbraw/zinc/61/16/46/779611646.db2.gz DQQHFPCBCNSXPM-UHFFFAOYSA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(F)F)C1C[NH+](CC(=O)N(C)C)C1 ZINC001276396663 779612258 /nfs/dbraw/zinc/61/22/58/779612258.db2.gz HCVYYSVCTHNGKR-QMMMGPOBSA-N 1 1 320.340 -1.108 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001139759834 779613703 /nfs/dbraw/zinc/61/37/03/779613703.db2.gz TYFYKGBDSXESNV-IIMNLJJBSA-N 1 1 310.354 -1.358 20 0 DAADMO COC(=O)[C@H]1CN(C)CCN1C(=O)CC[NH+]1CCN(C)CC1 ZINC001143230613 779626374 /nfs/dbraw/zinc/62/63/74/779626374.db2.gz DOHGLRHUUPBSQI-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CCN2CC[NH+](C)CC2)CCN1C ZINC001143230933 779627111 /nfs/dbraw/zinc/62/71/11/779627111.db2.gz HQMOMPUFRVODPD-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001149374502 779629441 /nfs/dbraw/zinc/62/94/41/779629441.db2.gz BTJLBSQXUCLRIQ-LLVKDONJSA-N 1 1 308.400 -1.380 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149374502 779629446 /nfs/dbraw/zinc/62/94/46/779629446.db2.gz BTJLBSQXUCLRIQ-LLVKDONJSA-N 1 1 308.400 -1.380 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001149427133 779629716 /nfs/dbraw/zinc/62/97/16/779629716.db2.gz JSBULWJGJRIKIX-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)c1nncn1C ZINC001149433676 779631327 /nfs/dbraw/zinc/63/13/27/779631327.db2.gz YLCQWPZYPBSJCN-SECBINFHSA-N 1 1 318.403 -1.527 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)c1nnnn1C ZINC001149431694 779631356 /nfs/dbraw/zinc/63/13/56/779631356.db2.gz AYXMKTVTFYIXGS-QMMMGPOBSA-N 1 1 319.391 -2.132 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)nc1 ZINC001149432127 779631571 /nfs/dbraw/zinc/63/15/71/779631571.db2.gz HYMIGHNHDYUTMN-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)nn1C ZINC001149431757 779631736 /nfs/dbraw/zinc/63/17/36/779631736.db2.gz CUEVKHFBNSKPGG-UHFFFAOYSA-N 1 1 317.415 -1.174 20 0 DAADMO COCCOCC[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466140 779632506 /nfs/dbraw/zinc/63/25/06/779632506.db2.gz NPXSSFHMLJGFNL-LBPRGKRZSA-N 1 1 317.386 -1.268 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCCO1 ZINC001149466502 779632929 /nfs/dbraw/zinc/63/29/29/779632929.db2.gz VMLSZBSSIBUFEK-MNOVXSKESA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCCO1 ZINC001149466502 779632932 /nfs/dbraw/zinc/63/29/32/779632932.db2.gz VMLSZBSSIBUFEK-MNOVXSKESA-N 1 1 312.370 -1.653 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149490686 779633858 /nfs/dbraw/zinc/63/38/58/779633858.db2.gz UVHZCEJTNLYAAN-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149490686 779633861 /nfs/dbraw/zinc/63/38/61/779633861.db2.gz UVHZCEJTNLYAAN-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001149531036 779633902 /nfs/dbraw/zinc/63/39/02/779633902.db2.gz QIJMDNHZQFPJBL-LBPRGKRZSA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)c2nncn2C)C1 ZINC001149530129 779634312 /nfs/dbraw/zinc/63/43/12/779634312.db2.gz GPOZSKKZQPBZMB-ZYHUDNBSSA-N 1 1 324.385 -1.171 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)c2nncn2C)C1 ZINC001149530124 779634483 /nfs/dbraw/zinc/63/44/83/779634483.db2.gz GPOZSKKZQPBZMB-CMPLNLGQSA-N 1 1 324.385 -1.171 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001149530462 779634493 /nfs/dbraw/zinc/63/44/93/779634493.db2.gz LKVLCCXFBNXRTR-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149599327 779636660 /nfs/dbraw/zinc/63/66/60/779636660.db2.gz FNWKZBJCFJDEHT-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149599327 779636667 /nfs/dbraw/zinc/63/66/67/779636667.db2.gz FNWKZBJCFJDEHT-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)c2nncn2C)c(=O)n1C ZINC001149577254 779636685 /nfs/dbraw/zinc/63/66/85/779636685.db2.gz XHIHLFRBPGFOIY-VIFPVBQESA-N 1 1 322.373 -1.514 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001149580343 779637034 /nfs/dbraw/zinc/63/70/34/779637034.db2.gz STUNSUYZOLRTMK-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1cc(C)n2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2n1 ZINC001149591242 779637136 /nfs/dbraw/zinc/63/71/36/779637136.db2.gz NIYHNQFHPGUGBP-NTZNESFSSA-N 1 1 316.369 -1.521 20 0 DAADMO Cc1cc(C)n2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2n1 ZINC001149591241 779637355 /nfs/dbraw/zinc/63/73/55/779637355.db2.gz NIYHNQFHPGUGBP-MDZLAQPJSA-N 1 1 316.369 -1.521 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149599328 779637862 /nfs/dbraw/zinc/63/78/62/779637862.db2.gz FNWKZBJCFJDEHT-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149599328 779637866 /nfs/dbraw/zinc/63/78/66/779637866.db2.gz FNWKZBJCFJDEHT-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001149599929 779638944 /nfs/dbraw/zinc/63/89/44/779638944.db2.gz MQKSKANXBKQDPF-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616042 779639532 /nfs/dbraw/zinc/63/95/32/779639532.db2.gz WSIIDBLQWJJFCJ-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616042 779639538 /nfs/dbraw/zinc/63/95/38/779639538.db2.gz WSIIDBLQWJJFCJ-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149614698 779639694 /nfs/dbraw/zinc/63/96/94/779639694.db2.gz FWBSGIPQDBNAKE-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149614698 779639701 /nfs/dbraw/zinc/63/97/01/779639701.db2.gz FWBSGIPQDBNAKE-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149740465 779640339 /nfs/dbraw/zinc/64/03/39/779640339.db2.gz ZBKBDYJMUFGYGJ-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149738644 779640819 /nfs/dbraw/zinc/64/08/19/779640819.db2.gz GJGZNOCWDZINHH-MNOVXSKESA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149738644 779640826 /nfs/dbraw/zinc/64/08/26/779640826.db2.gz GJGZNOCWDZINHH-MNOVXSKESA-N 1 1 323.357 -2.231 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738569 779641061 /nfs/dbraw/zinc/64/10/61/779641061.db2.gz DJMRQYOYAJHBIC-VHSXEESVSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738569 779641065 /nfs/dbraw/zinc/64/10/65/779641065.db2.gz DJMRQYOYAJHBIC-VHSXEESVSA-N 1 1 311.346 -2.246 20 0 DAADMO CC(C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149738980 779641180 /nfs/dbraw/zinc/64/11/80/779641180.db2.gz HEXNNIPXMRKYIY-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)NC(N)=O ZINC001149720962 779641204 /nfs/dbraw/zinc/64/12/04/779641204.db2.gz GTVNQHXGDUPGHT-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149740630 779641298 /nfs/dbraw/zinc/64/12/98/779641298.db2.gz ZLLYHOFPCGUOKC-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804528 779642055 /nfs/dbraw/zinc/64/20/55/779642055.db2.gz QCQRFEWRKGTMBH-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804528 779642059 /nfs/dbraw/zinc/64/20/59/779642059.db2.gz QCQRFEWRKGTMBH-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149816823 779642153 /nfs/dbraw/zinc/64/21/53/779642153.db2.gz HHPIPEPMINWUKD-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149816823 779642161 /nfs/dbraw/zinc/64/21/61/779642161.db2.gz HHPIPEPMINWUKD-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CN(CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)S(C)(=O)=O ZINC001149816443 779642173 /nfs/dbraw/zinc/64/21/73/779642173.db2.gz ASBNRTZINDOTEV-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO O=C(Cn1nccn1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149795558 779642315 /nfs/dbraw/zinc/64/23/15/779642315.db2.gz DCRKNSIFMMOHIA-NWDGAFQWSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1nccn1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149795558 779642318 /nfs/dbraw/zinc/64/23/18/779642318.db2.gz DCRKNSIFMMOHIA-NWDGAFQWSA-N 1 1 322.369 -1.626 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804526 779642661 /nfs/dbraw/zinc/64/26/61/779642661.db2.gz QCQRFEWRKGTMBH-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804526 779642668 /nfs/dbraw/zinc/64/26/68/779642668.db2.gz QCQRFEWRKGTMBH-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149816824 779642771 /nfs/dbraw/zinc/64/27/71/779642771.db2.gz HHPIPEPMINWUKD-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149816824 779642776 /nfs/dbraw/zinc/64/27/76/779642776.db2.gz HHPIPEPMINWUKD-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001149905036 779643766 /nfs/dbraw/zinc/64/37/66/779643766.db2.gz XPMLWOYLRZVHCG-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861385 779643860 /nfs/dbraw/zinc/64/38/60/779643860.db2.gz OVKWOYPSTIZBMG-NXEZZACHSA-N 1 1 314.386 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861385 779643870 /nfs/dbraw/zinc/64/38/70/779643870.db2.gz OVKWOYPSTIZBMG-NXEZZACHSA-N 1 1 314.386 -1.421 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001149855416 779643930 /nfs/dbraw/zinc/64/39/30/779643930.db2.gz YPAQJOBZIVJCQV-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001149855416 779643935 /nfs/dbraw/zinc/64/39/35/779643935.db2.gz YPAQJOBZIVJCQV-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149915624 779644937 /nfs/dbraw/zinc/64/49/37/779644937.db2.gz RHHWMWAWBIXGDS-UHFFFAOYSA-N 1 1 324.345 -2.254 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 ZINC001149982576 779645454 /nfs/dbraw/zinc/64/54/54/779645454.db2.gz LDOMJHXLYORYLF-GFCCVEGCSA-N 1 1 309.370 -1.116 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149930877 779645631 /nfs/dbraw/zinc/64/56/31/779645631.db2.gz UJWHJNWFPSIPAH-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)c1=O ZINC001149920992 779646019 /nfs/dbraw/zinc/64/60/19/779646019.db2.gz GIZJRWOGVLCKJA-LLVKDONJSA-N 1 1 313.358 -2.219 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(CC(N)=O)CCCO1 ZINC001149982577 779646138 /nfs/dbraw/zinc/64/61/38/779646138.db2.gz LDOMJHXLYORYLF-LBPRGKRZSA-N 1 1 309.370 -1.116 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206632780 779646255 /nfs/dbraw/zinc/64/62/55/779646255.db2.gz SYJIOVGAEBYHMP-MXWKQRLJSA-N 1 1 324.381 -1.246 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206632780 779646259 /nfs/dbraw/zinc/64/62/59/779646259.db2.gz SYJIOVGAEBYHMP-MXWKQRLJSA-N 1 1 324.381 -1.246 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC001149924359 779646310 /nfs/dbraw/zinc/64/63/10/779646310.db2.gz IDPCVSSBRKNSFZ-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC001149924818 779646402 /nfs/dbraw/zinc/64/64/02/779646402.db2.gz MWLMYEGVBWSPKN-UHFFFAOYSA-N 1 1 322.369 -1.044 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCCO1)c1cn[nH]n1 ZINC001149938034 779646488 /nfs/dbraw/zinc/64/64/88/779646488.db2.gz VWWSZHZAESECDG-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCOCCO)CCCO1)c1cnn[nH]1 ZINC001149938034 779646494 /nfs/dbraw/zinc/64/64/94/779646494.db2.gz VWWSZHZAESECDG-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCCO1)c1cnn[nH]1 ZINC001149938034 779646500 /nfs/dbraw/zinc/64/65/00/779646500.db2.gz VWWSZHZAESECDG-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001149930706 779646565 /nfs/dbraw/zinc/64/65/65/779646565.db2.gz RTVIPKPCYGLPJE-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C(C)C)CCCO1 ZINC001150023847 779646604 /nfs/dbraw/zinc/64/66/04/779646604.db2.gz YGKDLZMIDYHKJU-NSHDSACASA-N 1 1 322.431 -1.344 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001150021622 779646734 /nfs/dbraw/zinc/64/67/34/779646734.db2.gz KQLATVDZWZYEDU-SNVBAGLBSA-N 1 1 308.404 -1.733 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149923916 779646889 /nfs/dbraw/zinc/64/68/89/779646889.db2.gz CNTIIKAVYXRUFN-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150201740 779649094 /nfs/dbraw/zinc/64/90/94/779649094.db2.gz AIPJBORJRVKLHR-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150201740 779649098 /nfs/dbraw/zinc/64/90/98/779649098.db2.gz AIPJBORJRVKLHR-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150202986 779649345 /nfs/dbraw/zinc/64/93/45/779649345.db2.gz KFWSTQLKXOAFQD-LLVKDONJSA-N 1 1 323.415 -1.746 20 0 DAADMO CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001150195338 779649523 /nfs/dbraw/zinc/64/95/23/779649523.db2.gz YJVAZQBHMAPOFJ-VXGBXAGGSA-N 1 1 314.386 -1.089 20 0 DAADMO Cn1cc(OCC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)cn1 ZINC001150180514 779649769 /nfs/dbraw/zinc/64/97/69/779649769.db2.gz ZYHPNFSIIMZIHO-GFCCVEGCSA-N 1 1 312.370 -1.002 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213419 779650436 /nfs/dbraw/zinc/65/04/36/779650436.db2.gz ZMVBNHTVKNNBLL-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213419 779650438 /nfs/dbraw/zinc/65/04/38/779650438.db2.gz ZMVBNHTVKNNBLL-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCOCC(F)F)CCCO1 ZINC001150219240 779650511 /nfs/dbraw/zinc/65/05/11/779650511.db2.gz MTAXVRLPLWSPED-SECBINFHSA-N 1 1 309.313 -1.040 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232143 779650547 /nfs/dbraw/zinc/65/05/47/779650547.db2.gz ABPMHYLQKRLXJC-SFYZADRCSA-N 1 1 315.330 -2.738 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232143 779650550 /nfs/dbraw/zinc/65/05/50/779650550.db2.gz ABPMHYLQKRLXJC-SFYZADRCSA-N 1 1 315.330 -2.738 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+](CCNC(=O)C2CC2)CCCO1 ZINC001150219650 779650745 /nfs/dbraw/zinc/65/07/45/779650745.db2.gz PSTXHPMKQVVTDY-NSHDSACASA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCNC(=O)C2CC2)CCCO1 ZINC001150219650 779650751 /nfs/dbraw/zinc/65/07/51/779650751.db2.gz PSTXHPMKQVVTDY-NSHDSACASA-N 1 1 312.370 -1.795 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213280 779651084 /nfs/dbraw/zinc/65/10/84/779651084.db2.gz YHMMLYXDATXCPL-LBPRGKRZSA-N 1 1 309.370 -1.079 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213280 779651088 /nfs/dbraw/zinc/65/10/88/779651088.db2.gz YHMMLYXDATXCPL-LBPRGKRZSA-N 1 1 309.370 -1.079 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001150220580 779651169 /nfs/dbraw/zinc/65/11/69/779651169.db2.gz XTHHOZYZTUGYAN-GHMZBOCLSA-N 1 1 322.369 -1.542 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232451 779651209 /nfs/dbraw/zinc/65/12/09/779651209.db2.gz FACUMIIPYQCEON-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232451 779651212 /nfs/dbraw/zinc/65/12/12/779651212.db2.gz FACUMIIPYQCEON-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1ncccn1 ZINC001150339002 779653134 /nfs/dbraw/zinc/65/31/34/779653134.db2.gz JIAQLNNJWYAXFQ-VIFPVBQESA-N 1 1 306.326 -1.205 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001150324071 779653462 /nfs/dbraw/zinc/65/34/62/779653462.db2.gz GKKOKPSITRPGJM-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O)c1nnnn1C ZINC001150331398 779653710 /nfs/dbraw/zinc/65/37/10/779653710.db2.gz JBPZGPWNHHRWPA-QMMMGPOBSA-N 1 1 324.345 -2.129 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC001150331995 779653727 /nfs/dbraw/zinc/65/37/27/779653727.db2.gz QCPQLEKALOIUJZ-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC001150332042 779653754 /nfs/dbraw/zinc/65/37/54/779653754.db2.gz QZRDMBNBRVQCBE-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)nn1 ZINC001150339606 779654895 /nfs/dbraw/zinc/65/48/95/779654895.db2.gz ONSDZUVYVSUPFF-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150349953 779655415 /nfs/dbraw/zinc/65/54/15/779655415.db2.gz OGOAEPRQETVIQQ-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001150339614 779655483 /nfs/dbraw/zinc/65/54/83/779655483.db2.gz OTYDTUPSOYAQBA-QMMMGPOBSA-N 1 1 323.357 -1.314 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400656 779656158 /nfs/dbraw/zinc/65/61/58/779656158.db2.gz PKCPSVPVONCZQB-SSDOTTSWSA-N 1 1 310.318 -2.596 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001150399512 779656375 /nfs/dbraw/zinc/65/63/75/779656375.db2.gz GJFPVUJSWPANNC-SECBINFHSA-N 1 1 309.330 -1.991 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150424668 779657600 /nfs/dbraw/zinc/65/76/00/779657600.db2.gz YJFTUSVFYYYFFS-UHFFFAOYSA-N 1 1 312.378 -1.308 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001150401680 779657674 /nfs/dbraw/zinc/65/76/74/779657674.db2.gz YWJVCJMZTSWDKC-JTQLQIEISA-N 1 1 323.357 -1.508 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)nn1 ZINC001150401178 779658168 /nfs/dbraw/zinc/65/81/68/779658168.db2.gz WHDDNXMCXUKMQK-VIFPVBQESA-N 1 1 309.330 -1.991 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nccnc1C(N)=O)c1nnnn1C ZINC001150450118 779658617 /nfs/dbraw/zinc/65/86/17/779658617.db2.gz DMLDBUQBEKTQMH-SSDOTTSWSA-N 1 1 319.329 -1.820 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450112 779658919 /nfs/dbraw/zinc/65/89/19/779658919.db2.gz DGPIOALINZZGTB-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450874 779658945 /nfs/dbraw/zinc/65/89/45/779658945.db2.gz WWRICUYTJUCLFP-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)n1 ZINC001150450287 779659090 /nfs/dbraw/zinc/65/90/90/779659090.db2.gz HBKKRMLILXNFNW-UHFFFAOYSA-N 1 1 318.341 -1.294 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150461435 779660158 /nfs/dbraw/zinc/66/01/58/779660158.db2.gz DBBJOSBTPGTKAV-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150453091 779660371 /nfs/dbraw/zinc/66/03/71/779660371.db2.gz ODYBUVNFGPTLFP-SNVBAGLBSA-N 1 1 316.333 -1.285 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150453091 779660377 /nfs/dbraw/zinc/66/03/77/779660377.db2.gz ODYBUVNFGPTLFP-SNVBAGLBSA-N 1 1 316.333 -1.285 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150452905 779660432 /nfs/dbraw/zinc/66/04/32/779660432.db2.gz JKHLBTUACRTFMB-JTQLQIEISA-N 1 1 314.342 -2.262 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150461436 779660932 /nfs/dbraw/zinc/66/09/32/779660932.db2.gz DBBJOSBTPGTKAV-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150518314 779661908 /nfs/dbraw/zinc/66/19/08/779661908.db2.gz UUJDYBRKUMQUPN-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2n1 ZINC001150597515 779662926 /nfs/dbraw/zinc/66/29/26/779662926.db2.gz HNULJBVDMWBJSE-AGIUHOORSA-N 1 1 316.369 -1.521 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ccccc32)[C@H]2NCN[C@H]21 ZINC001150616554 779663032 /nfs/dbraw/zinc/66/30/32/779663032.db2.gz CBDNBBBJKSNVJV-QJPTWQEYSA-N 1 1 315.337 -1.532 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001150616556 779663314 /nfs/dbraw/zinc/66/33/14/779663314.db2.gz CBDNBBBJKSNVJV-UTUOFQBUSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579567 779663324 /nfs/dbraw/zinc/66/33/24/779663324.db2.gz NPDREYSCSBCFCG-WDEREUQCSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579567 779663330 /nfs/dbraw/zinc/66/33/30/779663330.db2.gz NPDREYSCSBCFCG-WDEREUQCSA-N 1 1 324.385 -1.182 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2n1 ZINC001150597517 779663372 /nfs/dbraw/zinc/66/33/72/779663372.db2.gz HNULJBVDMWBJSE-FRRDWIJNSA-N 1 1 316.369 -1.521 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150684833 779664943 /nfs/dbraw/zinc/66/49/43/779664943.db2.gz BKIMLGANBJFAJM-SNVBAGLBSA-N 1 1 314.342 -2.262 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150684832 779664999 /nfs/dbraw/zinc/66/49/99/779664999.db2.gz BKIMLGANBJFAJM-JTQLQIEISA-N 1 1 314.342 -2.262 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150698743 779665089 /nfs/dbraw/zinc/66/50/89/779665089.db2.gz AEKSRMPYXYLXRR-NEPJUHHUSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150698743 779665092 /nfs/dbraw/zinc/66/50/92/779665092.db2.gz AEKSRMPYXYLXRR-NEPJUHHUSA-N 1 1 322.369 -1.626 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699737 779665133 /nfs/dbraw/zinc/66/51/33/779665133.db2.gz NKJSDHHPFYBMMQ-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699737 779665138 /nfs/dbraw/zinc/66/51/38/779665138.db2.gz NKJSDHHPFYBMMQ-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150693961 779665193 /nfs/dbraw/zinc/66/51/93/779665193.db2.gz YCGBZMVIHSGUCJ-LLVKDONJSA-N 1 1 302.375 -1.102 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001150770960 779666580 /nfs/dbraw/zinc/66/65/80/779666580.db2.gz JKOCQQHXBFIGHQ-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc2n1 ZINC001150721975 779666738 /nfs/dbraw/zinc/66/67/38/779666738.db2.gz RXMYKPFCALYLHD-QXEWZRGKSA-N 1 1 317.357 -2.126 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150825580 779667091 /nfs/dbraw/zinc/66/70/91/779667091.db2.gz VJIRMGXGHIXPJE-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150825580 779667095 /nfs/dbraw/zinc/66/70/95/779667095.db2.gz VJIRMGXGHIXPJE-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)N1CCOCC1 ZINC001150842484 779667790 /nfs/dbraw/zinc/66/77/90/779667790.db2.gz VVEZYADICYWRAB-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150972358 779667896 /nfs/dbraw/zinc/66/78/96/779667896.db2.gz RKJXHAZEDISCOY-UHFFFAOYSA-N 1 1 308.302 -2.471 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc(=O)ccc3c2)[C@@H]2NCN[C@@H]21 ZINC001151004612 779669315 /nfs/dbraw/zinc/66/93/15/779669315.db2.gz JEOVKUGEHAPEAL-MCIONIFRSA-N 1 1 315.333 -1.074 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc(=O)ccc3c2)[C@@H]2NCN[C@H]21 ZINC001151004614 779669319 /nfs/dbraw/zinc/66/93/19/779669319.db2.gz JEOVKUGEHAPEAL-MJBXVCDLSA-N 1 1 315.333 -1.074 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1nc2ncccn2n1 ZINC001151049482 779669349 /nfs/dbraw/zinc/66/93/49/779669349.db2.gz QENGDJWTNGXGBW-UHFFFAOYSA-N 1 1 316.329 -1.904 20 0 DAADMO Cc1noc2nc(C)cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c12 ZINC001151053706 779670503 /nfs/dbraw/zinc/67/05/03/779670503.db2.gz KOCVUTSDEFOKBW-SRVKXCTJSA-N 1 1 317.353 -1.028 20 0 DAADMO COCCC1(NC(=O)c2ncn(C)n2)CC[NH+](CC(N)=O)CC1 ZINC001151100621 779670932 /nfs/dbraw/zinc/67/09/32/779670932.db2.gz VQGQUHRYMPJGMY-UHFFFAOYSA-N 1 1 324.385 -1.099 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)Cc1nc2ncccn2n1 ZINC001151055519 779671194 /nfs/dbraw/zinc/67/11/94/779671194.db2.gz CUMSDMVPVVJDOD-UHFFFAOYSA-N 1 1 315.341 -1.299 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)Cc2nc3ncccn3n2)nn1 ZINC001151055669 779671255 /nfs/dbraw/zinc/67/12/55/779671255.db2.gz GJEBDRGGKGUMGB-UHFFFAOYSA-N 1 1 315.341 -1.299 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)Cc2nc3ncccn3n2)n1 ZINC001151055655 779671294 /nfs/dbraw/zinc/67/12/94/779671294.db2.gz FWFRXZMFGSHEBL-UHFFFAOYSA-N 1 1 315.341 -1.299 20 0 DAADMO O=C(CN1CCCC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001151100739 779671677 /nfs/dbraw/zinc/67/16/77/779671677.db2.gz GHUNMSPUDZKIQL-UHFFFAOYSA-N 1 1 311.386 -1.270 20 0 DAADMO CNC(=O)Cc1noc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065195 779671683 /nfs/dbraw/zinc/67/16/83/779671683.db2.gz IBTPFJJEWKQKRO-JTQLQIEISA-N 1 1 324.385 -1.484 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001151160699 779672824 /nfs/dbraw/zinc/67/28/24/779672824.db2.gz XWOXIHAZFOECDP-JTQLQIEISA-N 1 1 315.374 -2.145 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001151159366 779673383 /nfs/dbraw/zinc/67/33/83/779673383.db2.gz SNIADXCFFPQZHC-LBPRGKRZSA-N 1 1 300.403 -1.251 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001151156441 779673563 /nfs/dbraw/zinc/67/35/63/779673563.db2.gz CQHOOWBICIUXII-GFCCVEGCSA-N 1 1 321.443 -1.295 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151299805 779674505 /nfs/dbraw/zinc/67/45/05/779674505.db2.gz GHZWKMMOKPJMON-SECBINFHSA-N 1 1 302.360 -2.287 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151293744 779674878 /nfs/dbraw/zinc/67/48/78/779674878.db2.gz WKUDUGAXPFWHDJ-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151307031 779675568 /nfs/dbraw/zinc/67/55/68/779675568.db2.gz XOBHADXBZCWZRI-SECBINFHSA-N 1 1 302.356 -1.119 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ncccn1 ZINC001151306491 779675697 /nfs/dbraw/zinc/67/56/97/779675697.db2.gz IZDCCDTXWXBXOC-ZJUUUORDSA-N 1 1 313.383 -1.065 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)nn1 ZINC001151306455 779675858 /nfs/dbraw/zinc/67/58/58/779675858.db2.gz HRZOIGCTUJWFRS-JTQLQIEISA-N 1 1 316.387 -1.805 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]2NCN[C@@H]21 ZINC001151353729 779676643 /nfs/dbraw/zinc/67/66/43/779676643.db2.gz PPAHVMSRTUJYCK-JHJVBQTASA-N 1 1 318.337 -1.850 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@H]2NCN[C@H]21 ZINC001151353732 779676717 /nfs/dbraw/zinc/67/67/17/779676717.db2.gz PPAHVMSRTUJYCK-YNEHKIRRSA-N 1 1 318.337 -1.850 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)n1C ZINC001151372505 779676878 /nfs/dbraw/zinc/67/68/78/779676878.db2.gz CHGVEQJQWCQPFK-UHFFFAOYSA-N 1 1 318.403 -1.868 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CS(=O)(=O)NC)n1 ZINC001151379828 779678113 /nfs/dbraw/zinc/67/81/13/779678113.db2.gz UURJKRNORGLVPR-UHFFFAOYSA-N 1 1 318.403 -1.639 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001151379696 779678126 /nfs/dbraw/zinc/67/81/26/779678126.db2.gz OQBQHACUJKTFOB-SECBINFHSA-N 1 1 301.372 -1.207 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001151379573 779678164 /nfs/dbraw/zinc/67/81/64/779678164.db2.gz KNNZNPXGIQEUSN-SSDOTTSWSA-N 1 1 304.376 -1.571 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001151379697 779678192 /nfs/dbraw/zinc/67/81/92/779678192.db2.gz OQBQHACUJKTFOB-VIFPVBQESA-N 1 1 301.372 -1.207 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cnc2ccnn21 ZINC001151433400 779678506 /nfs/dbraw/zinc/67/85/06/779678506.db2.gz CCCBHSDBSJKCGI-GRYCIOLGSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc3ccsc32)[C@H]2NCN[C@@H]21 ZINC001151539514 779679167 /nfs/dbraw/zinc/67/91/67/779679167.db2.gz SNPAIZCBZBEEOG-FBIMIBRVSA-N 1 1 305.367 -1.176 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cnc2ccnn21 ZINC001151433402 779679882 /nfs/dbraw/zinc/67/98/82/779679882.db2.gz CCCBHSDBSJKCGI-SRVKXCTJSA-N 1 1 302.342 -1.830 20 0 DAADMO COc1cc2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)[nH]c2cn1 ZINC001151646404 779680504 /nfs/dbraw/zinc/68/05/04/779680504.db2.gz ORWNWSSSZBRGOB-AVGNSLFASA-N 1 1 317.353 -1.296 20 0 DAADMO COc1ccc2[nH]c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2n1 ZINC001151626005 779680789 /nfs/dbraw/zinc/68/07/89/779680789.db2.gz ZHMXVDFIHRYOQW-FRRDWIJNSA-N 1 1 317.353 -1.296 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151588166 779681210 /nfs/dbraw/zinc/68/12/10/779681210.db2.gz XCTABMOQTYUBQN-GFCCVEGCSA-N 1 1 324.385 -1.249 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001151621051 779681424 /nfs/dbraw/zinc/68/14/24/779681424.db2.gz IDBBNETYLMBRCQ-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001151713351 779682747 /nfs/dbraw/zinc/68/27/47/779682747.db2.gz JEKZIRDVMGHCSC-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001151713351 779682748 /nfs/dbraw/zinc/68/27/48/779682748.db2.gz JEKZIRDVMGHCSC-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814216 779683467 /nfs/dbraw/zinc/68/34/67/779683467.db2.gz UIILYVWBZKOSOR-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814216 779683471 /nfs/dbraw/zinc/68/34/71/779683471.db2.gz UIILYVWBZKOSOR-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1ccc2c1nccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001151803717 779683887 /nfs/dbraw/zinc/68/38/87/779683887.db2.gz DTLJJSSIWCVBHU-NTZNESFSSA-N 1 1 301.354 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151815709 779684257 /nfs/dbraw/zinc/68/42/57/779684257.db2.gz ZVXTWWCAXJKLHK-ZDUSSCGKSA-N 1 1 323.401 -1.473 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccc3[nH]c2=O)[C@@H]2NCN[C@@H]21 ZINC001151864383 779685291 /nfs/dbraw/zinc/68/52/91/779685291.db2.gz ZHVGBAZHJLTYFZ-JLLWLGSASA-N 1 1 315.337 -1.944 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3n[nH]cc3c2F)[C@@H]2NCN[C@@H]21 ZINC001151846331 779685311 /nfs/dbraw/zinc/68/53/11/779685311.db2.gz KBLXXVZJUVQXJW-UTUOFQBUSA-N 1 1 305.317 -1.165 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cccn1 ZINC001151875449 779685601 /nfs/dbraw/zinc/68/56/01/779685601.db2.gz UFKMRPKDWLPWQB-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cccn1 ZINC001151875449 779685608 /nfs/dbraw/zinc/68/56/08/779685608.db2.gz UFKMRPKDWLPWQB-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cccnc1C(N)=O)c1nnnn1C ZINC001151966967 779685784 /nfs/dbraw/zinc/68/57/84/779685784.db2.gz HGNHABWWUZEOCU-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cccnc1C(N)=O ZINC001151958167 779686020 /nfs/dbraw/zinc/68/60/20/779686020.db2.gz CHPQVROIURTRBA-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)c2ccccn2)n1 ZINC001152067665 779686868 /nfs/dbraw/zinc/68/68/68/779686868.db2.gz YNROBUWXASYWFH-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1nccs1 ZINC001152254228 779688427 /nfs/dbraw/zinc/68/84/27/779688427.db2.gz AUTXWZHJJROAAL-UHFFFAOYSA-N 1 1 323.382 -1.243 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1CCCCC1=O ZINC001152162521 779688591 /nfs/dbraw/zinc/68/85/91/779688591.db2.gz XYQKMUCNKCPPPW-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254865 779689638 /nfs/dbraw/zinc/68/96/38/779689638.db2.gz VNOGRPFWFZBBOB-UHFFFAOYSA-N 1 1 321.345 -2.571 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254610 779689702 /nfs/dbraw/zinc/68/97/02/779689702.db2.gz SSQSWBWKOXPUSN-UHFFFAOYSA-N 1 1 321.341 -1.403 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001152297008 779690316 /nfs/dbraw/zinc/69/03/16/779690316.db2.gz BRMJLWNBXLYDLO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001152297008 779690320 /nfs/dbraw/zinc/69/03/20/779690320.db2.gz BRMJLWNBXLYDLO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CNC(=O)C1CCC1)c1nnnn1C ZINC001152303744 779690793 /nfs/dbraw/zinc/69/07/93/779690793.db2.gz AFYNHXKSYPQHMH-VIFPVBQESA-N 1 1 309.374 -1.107 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409998 779691553 /nfs/dbraw/zinc/69/15/53/779691553.db2.gz SKTZQFPLEANSOS-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)on1 ZINC001152414829 779691734 /nfs/dbraw/zinc/69/17/34/779691734.db2.gz OTQQDKHZDUVHFV-UHFFFAOYSA-N 1 1 323.313 -1.720 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001152414992 779691851 /nfs/dbraw/zinc/69/18/51/779691851.db2.gz RVIFVTCKTLGADC-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500189 779692779 /nfs/dbraw/zinc/69/27/79/779692779.db2.gz KNIFAFNRRAGIIB-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500189 779692782 /nfs/dbraw/zinc/69/27/82/779692782.db2.gz KNIFAFNRRAGIIB-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nncn1C ZINC001152610092 779694090 /nfs/dbraw/zinc/69/40/90/779694090.db2.gz PCLLAHZTHUEBSZ-SECBINFHSA-N 1 1 303.388 -1.298 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nncn1C ZINC001152610093 779694407 /nfs/dbraw/zinc/69/44/07/779694407.db2.gz PCLLAHZTHUEBSZ-VIFPVBQESA-N 1 1 303.388 -1.298 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC(=O)N(C)C1)c1nnnn1C ZINC001152511243 779694528 /nfs/dbraw/zinc/69/45/28/779694528.db2.gz YHBUUNKFBHEAQY-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001152551078 779694619 /nfs/dbraw/zinc/69/46/19/779694619.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001152551078 779694621 /nfs/dbraw/zinc/69/46/21/779694621.db2.gz LJUGCMDTVLSWBB-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](C[C@@H](O)Cn1cccn1)[C@H](C)CNC(=O)CC(N)=O ZINC001152506880 779694639 /nfs/dbraw/zinc/69/46/39/779694639.db2.gz MNVWLLVYCOEXFU-VXGBXAGGSA-N 1 1 311.386 -1.054 20 0 DAADMO Cn1nnc2c(C(=O)NC3CC[NH+](CCF)CC3)ncn2c1=O ZINC001152760282 779697937 /nfs/dbraw/zinc/69/79/37/779697937.db2.gz UIHVJWRNXYXZCS-UHFFFAOYSA-N 1 1 323.332 -1.013 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001152789351 779698758 /nfs/dbraw/zinc/69/87/58/779698758.db2.gz LQZAAYUVPNBZHQ-MWLCHTKSSA-N 1 1 309.374 -1.012 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940256 779699950 /nfs/dbraw/zinc/69/99/50/779699950.db2.gz MVDIYHSZLQHVBV-MNOVXSKESA-N 1 1 304.391 -1.121 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)NCC[NH2+]Cc1nnnn1C)C(C)C ZINC001152884325 779700262 /nfs/dbraw/zinc/70/02/62/779700262.db2.gz HSYCAXHFQGPCNP-CYBMUJFWSA-N 1 1 311.390 -1.033 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccc(Cl)nn32)[C@@H]2NCN[C@H]21 ZINC001153219601 779701063 /nfs/dbraw/zinc/70/10/63/779701063.db2.gz VDUAWFCCKYEMMU-AXFHLTTASA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNC(=O)NC ZINC001153180401 779701471 /nfs/dbraw/zinc/70/14/71/779701471.db2.gz IXFYYUYYVPUTOF-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNC(=O)NC ZINC001153180401 779701480 /nfs/dbraw/zinc/70/14/80/779701480.db2.gz IXFYYUYYVPUTOF-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001153070305 779701961 /nfs/dbraw/zinc/70/19/61/779701961.db2.gz BMMZMYOUEJXAPC-VWYCJHECSA-N 1 1 303.359 -1.071 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CC(=O)N3)[C@H]2NCN[C@H]21 ZINC001153335101 779702525 /nfs/dbraw/zinc/70/25/25/779702525.db2.gz HKMUUCGHJOIZSJ-YNEHKIRRSA-N 1 1 302.338 -1.686 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CC(=O)N3)[C@H]2NCN[C@@H]21 ZINC001153335098 779703215 /nfs/dbraw/zinc/70/32/15/779703215.db2.gz HKMUUCGHJOIZSJ-JHJVBQTASA-N 1 1 302.338 -1.686 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001153331772 779703586 /nfs/dbraw/zinc/70/35/86/779703586.db2.gz VMFCMXRJOIJOSL-SECBINFHSA-N 1 1 312.378 -1.357 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)COC ZINC001153533007 779705751 /nfs/dbraw/zinc/70/57/51/779705751.db2.gz OOSHOPJXKNTKJP-GHMZBOCLSA-N 1 1 316.402 -1.290 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)COC ZINC001153533007 779705754 /nfs/dbraw/zinc/70/57/54/779705754.db2.gz OOSHOPJXKNTKJP-GHMZBOCLSA-N 1 1 316.402 -1.290 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c2c1CCCC2 ZINC001153555188 779706130 /nfs/dbraw/zinc/70/61/30/779706130.db2.gz MPIWNMXWCOQWMP-FRRDWIJNSA-N 1 1 305.386 -1.568 20 0 DAADMO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555665 779707036 /nfs/dbraw/zinc/70/70/36/779707036.db2.gz UBYVSZRHCXMXBA-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555665 779707042 /nfs/dbraw/zinc/70/70/42/779707042.db2.gz UBYVSZRHCXMXBA-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@@H](NC(=O)C1CCC1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001153692325 779707343 /nfs/dbraw/zinc/70/73/43/779707343.db2.gz IHEPEZVMTSOFMT-SECBINFHSA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCNC(=O)[C@H]2CCCO2)nn1 ZINC001153599181 779707369 /nfs/dbraw/zinc/70/73/69/779707369.db2.gz XKERJXAFTKLFDP-GFCCVEGCSA-N 1 1 324.385 -1.294 20 0 DAADMO Cc1cn2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2n1 ZINC001153603077 779708308 /nfs/dbraw/zinc/70/83/08/779708308.db2.gz WMUGTZJRQPPUMP-NTZNESFSSA-N 1 1 301.354 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3cccnc3[nH]c2=O)[C@@H]2NCN[C@H]21 ZINC001153751790 779709251 /nfs/dbraw/zinc/70/92/51/779709251.db2.gz VGNDLBTZTJXRES-UMNHJUIQSA-N 1 1 315.337 -1.532 20 0 DAADMO Nc1ccc2c(cccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001153812925 779711137 /nfs/dbraw/zinc/71/11/37/779711137.db2.gz NIYQHDYARRQCSX-IHRRRGAJSA-N 1 1 313.365 -1.050 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000133557788 779711257 /nfs/dbraw/zinc/71/12/57/779711257.db2.gz ZGGYXWGYSJIGDM-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886828 779711833 /nfs/dbraw/zinc/71/18/33/779711833.db2.gz JQUIXLRQELWDPC-VIFPVBQESA-N 1 1 323.357 -1.658 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)c1nncn1C ZINC001153883030 779711940 /nfs/dbraw/zinc/71/19/40/779711940.db2.gz UHPLWVGDNNNGJJ-RKDXNWHRSA-N 1 1 308.342 -1.365 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)nn1C ZINC001153882544 779712212 /nfs/dbraw/zinc/71/22/12/779712212.db2.gz ISIIVRADTHVVRO-JTQLQIEISA-N 1 1 307.354 -1.013 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)nn1 ZINC001153886446 779712356 /nfs/dbraw/zinc/71/23/56/779712356.db2.gz BRPIOHHENXVTNO-SECBINFHSA-N 1 1 308.342 -1.443 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)[nH]1 ZINC001153882520 779712734 /nfs/dbraw/zinc/71/27/34/779712734.db2.gz IEUGDRCRHLGNTR-APPZFPTMSA-N 1 1 308.342 -1.067 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886435 779712999 /nfs/dbraw/zinc/71/29/99/779712999.db2.gz BLYQZOOQVLRBIS-SECBINFHSA-N 1 1 323.357 -1.487 20 0 DAADMO Cc1nc2ccc(F)cn2c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001154019512 779715091 /nfs/dbraw/zinc/71/50/91/779715091.db2.gz NVYLAAWBBBQGNC-WXHSDQCUSA-N 1 1 319.344 -1.085 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(C(N)=O)ccn1)c1nnnn1C ZINC001153929821 779715113 /nfs/dbraw/zinc/71/51/13/779715113.db2.gz MWDNNBFWXXEUBC-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001153918884 779715518 /nfs/dbraw/zinc/71/55/18/779715518.db2.gz TVTYPSQPAAEMNS-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001153918884 779715521 /nfs/dbraw/zinc/71/55/21/779715521.db2.gz TVTYPSQPAAEMNS-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001154074636 779717086 /nfs/dbraw/zinc/71/70/86/779717086.db2.gz QGZXHXDJMNTTGZ-ZJUUUORDSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001154074636 779717090 /nfs/dbraw/zinc/71/70/90/779717090.db2.gz QGZXHXDJMNTTGZ-ZJUUUORDSA-N 1 1 324.385 -1.142 20 0 DAADMO CN1CCc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001154157712 779717185 /nfs/dbraw/zinc/71/71/85/779717185.db2.gz IWXGETYQFUMTPL-IHRRRGAJSA-N 1 1 302.382 -1.188 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154053125 779717241 /nfs/dbraw/zinc/71/72/41/779717241.db2.gz MJUGUBFTBQBWFO-LLVKDONJSA-N 1 1 316.402 -1.288 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154053673 779717348 /nfs/dbraw/zinc/71/73/48/779717348.db2.gz UVNZIIMXFBGTAI-LLVKDONJSA-N 1 1 316.402 -1.552 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)CCOC)n1 ZINC001154032043 779717598 /nfs/dbraw/zinc/71/75/98/779717598.db2.gz AKMDBLNYXRAEED-UHFFFAOYSA-N 1 1 313.358 -1.010 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154053574 779717625 /nfs/dbraw/zinc/71/76/25/779717625.db2.gz REZIOEVARZTQBF-GHMZBOCLSA-N 1 1 316.402 -1.554 20 0 DAADMO CN1CCc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)sc2C1 ZINC001154224105 779718087 /nfs/dbraw/zinc/71/80/87/779718087.db2.gz OSENKOMSMNHICL-OUAUKWLOSA-N 1 1 323.426 -1.736 20 0 DAADMO Nc1nc2ccccc2cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001154289925 779718225 /nfs/dbraw/zinc/71/82/25/779718225.db2.gz UTDWGPXTRQNOFG-KWCYVHTRSA-N 1 1 313.365 -1.050 20 0 DAADMO CN1Cc2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1=O ZINC001154333716 779718550 /nfs/dbraw/zinc/71/85/50/779718550.db2.gz XELHCDHVUAXLEA-AVGNSLFASA-N 1 1 316.365 -1.595 20 0 DAADMO CCOCC(=O)NCCC[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001154336851 779718570 /nfs/dbraw/zinc/71/85/70/779718570.db2.gz KEIBAWMFTFSBBC-UHFFFAOYSA-N 1 1 313.358 -1.010 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469447 779721004 /nfs/dbraw/zinc/72/10/04/779721004.db2.gz ZBTNOZJTXJQFII-NXEZZACHSA-N 1 1 310.420 -1.752 20 0 DAADMO COc1ccc2c(c1)n[nH]c2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001154474455 779721335 /nfs/dbraw/zinc/72/13/35/779721335.db2.gz YZZYHSICHLYESI-AVGNSLFASA-N 1 1 317.353 -1.296 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)Cn2cnnn2)n1 ZINC001154503049 779722350 /nfs/dbraw/zinc/72/23/50/779722350.db2.gz OCOPJBKJLLUKND-UHFFFAOYSA-N 1 1 309.334 -1.582 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn3cccc(F)c3n2)[C@H]2NCN[C@H]21 ZINC001154548303 779724381 /nfs/dbraw/zinc/72/43/81/779724381.db2.gz RUDUYKNHSOMLFA-HOSYDEDBSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154588547 779724448 /nfs/dbraw/zinc/72/44/48/779724448.db2.gz KDZZUVKQXRVZOY-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001154592422 779724627 /nfs/dbraw/zinc/72/46/27/779724627.db2.gz MSFDHINNSBBNAB-RKDXNWHRSA-N 1 1 315.374 -1.481 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001154592422 779724629 /nfs/dbraw/zinc/72/46/29/779724629.db2.gz MSFDHINNSBBNAB-RKDXNWHRSA-N 1 1 315.374 -1.481 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001154601579 779724648 /nfs/dbraw/zinc/72/46/48/779724648.db2.gz BIOAWOCPUXXIRL-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001154601579 779724652 /nfs/dbraw/zinc/72/46/52/779724652.db2.gz BIOAWOCPUXXIRL-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154601601 779724663 /nfs/dbraw/zinc/72/46/63/779724663.db2.gz BIOAWOCPUXXIRL-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154601601 779724667 /nfs/dbraw/zinc/72/46/67/779724667.db2.gz BIOAWOCPUXXIRL-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693950 779725510 /nfs/dbraw/zinc/72/55/10/779725510.db2.gz VIPVEDZRXJGFMQ-SNVBAGLBSA-N 1 1 300.363 -1.341 20 0 DAADMO COc1cc2n[nH]cc2cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001154800583 779725714 /nfs/dbraw/zinc/72/57/14/779725714.db2.gz SFVGRDQXSAOKNP-RWMBFGLXSA-N 1 1 317.353 -1.296 20 0 DAADMO COc1cc2n[nH]cc2cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001154800576 779725753 /nfs/dbraw/zinc/72/57/53/779725753.db2.gz SFVGRDQXSAOKNP-AGIUHOORSA-N 1 1 317.353 -1.296 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3ccc(Cl)nc23)[C@H]2NCN[C@@H]21 ZINC001154784435 779726230 /nfs/dbraw/zinc/72/62/30/779726230.db2.gz UCALTRAHCXCCKW-FXPVBKGRSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154698856 779726340 /nfs/dbraw/zinc/72/63/40/779726340.db2.gz FWLMDCPWJMVPEX-SNVBAGLBSA-N 1 1 307.362 -1.058 20 0 DAADMO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154913664 779727621 /nfs/dbraw/zinc/72/76/21/779727621.db2.gz AVZKOKHVDNPRIM-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154913664 779727625 /nfs/dbraw/zinc/72/76/25/779727625.db2.gz AVZKOKHVDNPRIM-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO Cn1cnc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001155004404 779728263 /nfs/dbraw/zinc/72/82/63/779728263.db2.gz JJASMCUGDBLGIA-RWMBFGLXSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154952979 779728305 /nfs/dbraw/zinc/72/83/05/779728305.db2.gz SUBNSTBJABNTQW-GHMZBOCLSA-N 1 1 305.375 -1.678 20 0 DAADMO CC[N@@H+](CCCNS(=O)(=O)CC)[C@H](C)CNC(=O)C(N)=O ZINC001154952615 779728382 /nfs/dbraw/zinc/72/83/82/779728382.db2.gz ICAOUVLXKJXGOH-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154920377 779728700 /nfs/dbraw/zinc/72/87/00/779728700.db2.gz CCFQYUZRDIMJID-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154920377 779728706 /nfs/dbraw/zinc/72/87/06/779728706.db2.gz CCFQYUZRDIMJID-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1cnc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001155004401 779728739 /nfs/dbraw/zinc/72/87/39/779728739.db2.gz JJASMCUGDBLGIA-AGIUHOORSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)C(N)=O ZINC001154944482 779729171 /nfs/dbraw/zinc/72/91/71/779729171.db2.gz AWJXEHUVKSASRU-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@@H+](CC(=O)NC1CCOCC1)[C@H](C)CNC(=O)C(N)=O ZINC001154944482 779729175 /nfs/dbraw/zinc/72/91/75/779729175.db2.gz AWJXEHUVKSASRU-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001155105466 779730091 /nfs/dbraw/zinc/73/00/91/779730091.db2.gz PLFWNVPUTXTTJY-NXEZZACHSA-N 1 1 318.374 -1.331 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001155105466 779730095 /nfs/dbraw/zinc/73/00/95/779730095.db2.gz PLFWNVPUTXTTJY-NXEZZACHSA-N 1 1 318.374 -1.331 20 0 DAADMO Cc1ccn2c(c1)ncc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001155349431 779731635 /nfs/dbraw/zinc/73/16/35/779731635.db2.gz ROXCHIRXDXIWQS-RWMBFGLXSA-N 1 1 301.354 -1.225 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155301871 779731704 /nfs/dbraw/zinc/73/17/04/779731704.db2.gz ONAILALUKPZNHU-UHFFFAOYSA-N 1 1 318.403 -1.106 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c3cccc(F)c32)[C@H]2NCN[C@@H]21 ZINC001155290805 779731909 /nfs/dbraw/zinc/73/19/09/779731909.db2.gz VOKRIOULDRGYKN-IJLUTSLNSA-N 1 1 305.317 -1.165 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155529188 779732671 /nfs/dbraw/zinc/73/26/71/779732671.db2.gz XFRORGXYZMWIBT-SECBINFHSA-N 1 1 323.419 -2.306 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155529188 779732675 /nfs/dbraw/zinc/73/26/75/779732675.db2.gz XFRORGXYZMWIBT-SECBINFHSA-N 1 1 323.419 -2.306 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001155607643 779732829 /nfs/dbraw/zinc/73/28/29/779732829.db2.gz SEKJYJULGHSITD-LLVKDONJSA-N 1 1 322.369 -1.290 20 0 DAADMO Cc1cccn2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c12 ZINC001155634778 779733910 /nfs/dbraw/zinc/73/39/10/779733910.db2.gz APMZMZGXDZNTIV-DRZSPHRISA-N 1 1 301.354 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(n2)NC(=O)CO3)[C@H]2NCN[C@H]21 ZINC001155738076 779734054 /nfs/dbraw/zinc/73/40/54/779734054.db2.gz UZILLBNVQVGUQQ-HOSYDEDBSA-N 1 1 319.325 -2.455 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155871804 779735322 /nfs/dbraw/zinc/73/53/22/779735322.db2.gz BRWASGUSBVKULV-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155871804 779735327 /nfs/dbraw/zinc/73/53/27/779735327.db2.gz BRWASGUSBVKULV-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(s2)CCOC3)[C@H]2NCN[C@@H]21 ZINC001155834174 779735416 /nfs/dbraw/zinc/73/54/16/779735416.db2.gz BTHHBVHFCLIJKE-IJLUTSLNSA-N 1 1 309.395 -1.047 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001155857431 779735566 /nfs/dbraw/zinc/73/55/66/779735566.db2.gz TUOZISWNRQLJQA-ZYHUDNBSSA-N 1 1 316.402 -1.425 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001155764518 779735789 /nfs/dbraw/zinc/73/57/89/779735789.db2.gz SLXDHYPOYNEETQ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155889880 779736364 /nfs/dbraw/zinc/73/63/64/779736364.db2.gz TUBUIBQDOOFBRJ-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO CCc1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cccn12 ZINC001156055854 779738159 /nfs/dbraw/zinc/73/81/59/779738159.db2.gz ASYMXRXHGWOXKP-GVXVVHGQSA-N 1 1 316.369 -1.576 20 0 DAADMO CCc1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cccn12 ZINC001156055853 779738661 /nfs/dbraw/zinc/73/86/61/779738661.db2.gz ASYMXRXHGWOXKP-GMXVVIOVSA-N 1 1 316.369 -1.576 20 0 DAADMO Cc1ccc2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2c1 ZINC001156042686 779738725 /nfs/dbraw/zinc/73/87/25/779738725.db2.gz ULLATWDWEDRZLU-OUAUKWLOSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1ccc2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2c1 ZINC001156042684 779738814 /nfs/dbraw/zinc/73/88/14/779738814.db2.gz ULLATWDWEDRZLU-GARJFASQSA-N 1 1 302.342 -1.830 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001156233949 779740767 /nfs/dbraw/zinc/74/07/67/779740767.db2.gz QHNWGVUNKHPIPR-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001156233949 779740771 /nfs/dbraw/zinc/74/07/71/779740771.db2.gz QHNWGVUNKHPIPR-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO Cc1cc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cn2cn1 ZINC001156437801 779741881 /nfs/dbraw/zinc/74/18/81/779741881.db2.gz VMCJPVLMDBWTAD-WOPDTQHZSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1cc(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001156447874 779742128 /nfs/dbraw/zinc/74/21/28/779742128.db2.gz YSWZLFMNLRANJT-SECBINFHSA-N 1 1 310.358 -1.060 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156798250 779743212 /nfs/dbraw/zinc/74/32/12/779743212.db2.gz WDRGXIWQSOYTQD-MNOVXSKESA-N 1 1 304.391 -1.121 20 0 DAADMO COc1ccc2onc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2c1 ZINC001156735478 779743363 /nfs/dbraw/zinc/74/33/63/779743363.db2.gz IONKWURDTZLFMO-RWMBFGLXSA-N 1 1 318.337 -1.031 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2OCCCO3)[C@@H]2NCN[C@H]21 ZINC001156719755 779743443 /nfs/dbraw/zinc/74/34/43/779743443.db2.gz LHOJTMGDNZJIMC-YUTCNCBUSA-N 1 1 319.365 -1.019 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001156658787 779743545 /nfs/dbraw/zinc/74/35/45/779743545.db2.gz OILSOXZOPXCBIR-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001156658787 779743552 /nfs/dbraw/zinc/74/35/52/779743552.db2.gz OILSOXZOPXCBIR-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cccc(F)c23)[C@@H]2NCN[C@@H]21 ZINC001156922518 779746076 /nfs/dbraw/zinc/74/60/76/779746076.db2.gz TYLWGPBFWMVWCR-JLLWLGSASA-N 1 1 305.317 -1.394 20 0 DAADMO [NH3+]CCc1nnn(-c2nc3c(c(N4CCOCC4)n2)CNC3)n1 ZINC001156988553 779746963 /nfs/dbraw/zinc/74/69/63/779746963.db2.gz AIRAEXYCYBHBLB-UHFFFAOYSA-N 1 1 317.357 -1.607 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001156961144 779747230 /nfs/dbraw/zinc/74/72/30/779747230.db2.gz GDEQCJZMWOBPIB-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001156961144 779747232 /nfs/dbraw/zinc/74/72/32/779747232.db2.gz GDEQCJZMWOBPIB-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001156961145 779747256 /nfs/dbraw/zinc/74/72/56/779747256.db2.gz GDEQCJZMWOBPIB-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001156961145 779747259 /nfs/dbraw/zinc/74/72/59/779747259.db2.gz GDEQCJZMWOBPIB-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001156960918 779747348 /nfs/dbraw/zinc/74/73/48/779747348.db2.gz AAXWWSHSIAHBTD-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001156960918 779747352 /nfs/dbraw/zinc/74/73/52/779747352.db2.gz AAXWWSHSIAHBTD-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO COc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cn2c1 ZINC001157089738 779747684 /nfs/dbraw/zinc/74/76/84/779747684.db2.gz UTXGJEVJKFHWRB-AVGNSLFASA-N 1 1 317.353 -1.524 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001157120410 779749158 /nfs/dbraw/zinc/74/91/58/779749158.db2.gz LEQQSMSFCYQNCH-UHFFFAOYSA-N 1 1 308.404 -1.779 20 0 DAADMO C[NH+]1CCN(c2nccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)CC1 ZINC001157283646 779750313 /nfs/dbraw/zinc/75/03/13/779750313.db2.gz HXNRWILPBLILJA-OXHZDVMGSA-N 1 1 323.397 -1.257 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157294418 779751026 /nfs/dbraw/zinc/75/10/26/779751026.db2.gz YOYQJAHIVWYPPC-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001157294418 779751035 /nfs/dbraw/zinc/75/10/35/779751035.db2.gz YOYQJAHIVWYPPC-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001157336973 779751780 /nfs/dbraw/zinc/75/17/80/779751780.db2.gz RVRJFTMGTVDIFE-QDDONVENSA-N 1 1 306.432 -1.558 20 0 DAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC[S@](C)=O ZINC001157336974 779752572 /nfs/dbraw/zinc/75/25/72/779752572.db2.gz RVRJFTMGTVDIFE-VUPYVKPUSA-N 1 1 306.432 -1.558 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001157360941 779753062 /nfs/dbraw/zinc/75/30/62/779753062.db2.gz USRVEJQVYXDNCE-QMMMGPOBSA-N 1 1 312.330 -1.160 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001157361040 779753367 /nfs/dbraw/zinc/75/33/67/779753367.db2.gz XDQHDEXUMTVDPB-MRVPVSSYSA-N 1 1 313.314 -1.080 20 0 DAADMO [NH3+]CCCC[C@H](NC(=O)Cc1nn[nH]n1)C(=O)N1CCCC1 ZINC001157369445 779753860 /nfs/dbraw/zinc/75/38/60/779753860.db2.gz SVHRITLNNUBVHZ-JTQLQIEISA-N 1 1 309.374 -1.022 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC(C)([NH3+])C1 ZINC001157651342 779757447 /nfs/dbraw/zinc/75/74/47/779757447.db2.gz MFUJCBNBVOEKGZ-UWVGGRQHSA-N 1 1 311.386 -2.000 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001157746584 779758787 /nfs/dbraw/zinc/75/87/87/779758787.db2.gz UVPXAMSMYXCHLR-VIFPVBQESA-N 1 1 308.342 -1.443 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001157999458 779763826 /nfs/dbraw/zinc/76/38/26/779763826.db2.gz RIPUTHVKLNDERV-RYUDHWBXSA-N 1 1 307.354 -1.109 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)c1cnn2c1C[NH2+]CC2 ZINC001158013640 779764547 /nfs/dbraw/zinc/76/45/47/779764547.db2.gz HEASJUWVMYDBKR-GFCCVEGCSA-N 1 1 307.354 -1.037 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[NH2+]Cc2ccnn21 ZINC001157999456 779764567 /nfs/dbraw/zinc/76/45/67/779764567.db2.gz RIPUTHVKLNDERV-NEPJUHHUSA-N 1 1 307.354 -1.109 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001158083083 779765440 /nfs/dbraw/zinc/76/54/40/779765440.db2.gz REJRIHKDHIICCW-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO N[C@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092173 779765993 /nfs/dbraw/zinc/76/59/93/779765993.db2.gz LRHAJWGTCKMXNI-CZUORRHYSA-N 1 1 318.377 -1.048 20 0 DAADMO Cn1cncc1C[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091838 779766168 /nfs/dbraw/zinc/76/61/68/779766168.db2.gz IMKZKBRTNNQKEL-SMDDNHRTSA-N 1 1 306.370 -2.020 20 0 DAADMO NC(=O)NCCC[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091458 779766282 /nfs/dbraw/zinc/76/62/82/779766282.db2.gz CMKYJSPXHGZHCZ-TVQRCGJNSA-N 1 1 312.374 -2.547 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101525 779766714 /nfs/dbraw/zinc/76/67/14/779766714.db2.gz JLIPEMZLCOAPLW-RVBZMBCESA-N 1 1 313.358 -3.499 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102435 779766830 /nfs/dbraw/zinc/76/68/30/779766830.db2.gz RXLYKEYZZBBGHR-HZMBPMFUSA-N 1 1 309.370 -2.373 20 0 DAADMO O=C(c1n[nH]c2c1CNC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118883 779768164 /nfs/dbraw/zinc/76/81/64/779768164.db2.gz DCRNSFDFVVTUNF-HNNXBMFYSA-N 1 1 316.365 -1.435 20 0 DAADMO CC1(C)N[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CO1 ZINC001158118614 779768886 /nfs/dbraw/zinc/76/88/86/779768886.db2.gz BPNSTISZKVMGRS-ZUZCIYMTSA-N 1 1 308.382 -1.351 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H](N)C3)C2 ZINC001158235371 779772006 /nfs/dbraw/zinc/77/20/06/779772006.db2.gz GWLNMRNUABDYQX-WXSGPUQCSA-N 1 1 309.366 -1.144 20 0 DAADMO O=C([C@@H]1CNCCO1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260473 779772102 /nfs/dbraw/zinc/77/21/02/779772102.db2.gz DBIYVOSIUIHGJE-NSHDSACASA-N 1 1 306.370 -1.313 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326885 779773823 /nfs/dbraw/zinc/77/38/23/779773823.db2.gz OXKLFYPUSKYKNK-JTQLQIEISA-N 1 1 313.354 -1.226 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2csnn2)n1 ZINC001158372844 779775117 /nfs/dbraw/zinc/77/51/17/779775117.db2.gz YEPINJYRHMJSOU-UHFFFAOYSA-N 1 1 324.370 -1.475 20 0 DAADMO NC(=O)[C@H](CO)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158442685 779775977 /nfs/dbraw/zinc/77/59/77/779775977.db2.gz GMPOSEPPAZLDAF-JTQLQIEISA-N 1 1 308.342 -1.826 20 0 DAADMO Cn1nnc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158487211 779776563 /nfs/dbraw/zinc/77/65/63/779776563.db2.gz WVWFGOZAYAYMCX-NEPJUHHUSA-N 1 1 323.401 -1.331 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545646 779778089 /nfs/dbraw/zinc/77/80/89/779778089.db2.gz HRJXGMQBPNGYJF-NFFDBFGFSA-N 1 1 322.409 -1.085 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579428 779778332 /nfs/dbraw/zinc/77/83/32/779778332.db2.gz SPLRTISFTMTJSG-ZDCRXTMVSA-N 1 1 316.377 -1.654 20 0 DAADMO [NH3+]CCCNCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968678 779782884 /nfs/dbraw/zinc/78/28/84/779782884.db2.gz WEFIMXPLDFDYFO-OLZOCXBDSA-N 1 1 320.397 -1.169 20 0 DAADMO CCCc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc(C)[nH+]1 ZINC001158977649 779785394 /nfs/dbraw/zinc/78/53/94/779785394.db2.gz GVVBNXCKYXLPIS-FZGMBXNASA-N 1 1 313.354 -1.051 20 0 DAADMO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CNCCC[NH3+])C[C@H]21 ZINC001159109430 779787851 /nfs/dbraw/zinc/78/78/51/779787851.db2.gz VOHWCMYCLHCKRC-FRRDWIJNSA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)C[C@H]21 ZINC001159109375 779788384 /nfs/dbraw/zinc/78/83/84/779788384.db2.gz STNMYJHOHXXARN-NAWOPXAZSA-N 1 1 310.398 -1.325 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001159200552 779789121 /nfs/dbraw/zinc/78/91/21/779789121.db2.gz DHQTYZONVFZGRR-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO NC(=O)NCC(=O)NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001159206245 779789366 /nfs/dbraw/zinc/78/93/66/779789366.db2.gz VSMYAPYOHKFPIV-LLVKDONJSA-N 1 1 309.370 -1.318 20 0 DAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)C[NH3+])CC3)CC1 ZINC001159417438 779793972 /nfs/dbraw/zinc/79/39/72/779793972.db2.gz PHSQVMDTIMKZNK-ZDUSSCGKSA-N 1 1 321.429 -1.741 20 0 DAADMO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C3)n1 ZINC001159472626 779794622 /nfs/dbraw/zinc/79/46/22/779794622.db2.gz XKMSCKCJDWJFJX-NJBDSQKTSA-N 1 1 307.354 -1.206 20 0 DAADMO NC(=O)CC(=O)NCCC1=CC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001159646768 779795822 /nfs/dbraw/zinc/79/58/22/779795822.db2.gz QARVRPCNVAEJKW-UHFFFAOYSA-N 1 1 311.342 -1.805 20 0 DAADMO NC(=O)CC(=O)NCCC1=CC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001159646768 779795829 /nfs/dbraw/zinc/79/58/29/779795829.db2.gz QARVRPCNVAEJKW-UHFFFAOYSA-N 1 1 311.342 -1.805 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)C1 ZINC001159770463 779795958 /nfs/dbraw/zinc/79/59/58/779795958.db2.gz UJMBQJSPWWNGEQ-ITGHMWBKSA-N 1 1 322.409 -1.040 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001159905452 779799075 /nfs/dbraw/zinc/79/90/75/779799075.db2.gz OGXZCLAOBMHKDN-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001159905452 779799077 /nfs/dbraw/zinc/79/90/77/779799077.db2.gz OGXZCLAOBMHKDN-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001159928466 779799403 /nfs/dbraw/zinc/79/94/03/779799403.db2.gz OHNPKCQQXHVBKY-JTQLQIEISA-N 1 1 311.386 -1.072 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001159928466 779799414 /nfs/dbraw/zinc/79/94/14/779799414.db2.gz OHNPKCQQXHVBKY-JTQLQIEISA-N 1 1 311.386 -1.072 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087622 779800501 /nfs/dbraw/zinc/80/05/01/779800501.db2.gz ZGDZBVJIYPGKKA-QCNRFFRDSA-N 1 1 320.309 -1.811 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccnn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087600 779800934 /nfs/dbraw/zinc/80/09/34/779800934.db2.gz YJLTXIRUWIMDCS-FAQVLOEFSA-N 1 1 320.309 -1.811 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCCC2=CC[N@@H+](CCO)CC2)n1 ZINC001160169694 779800978 /nfs/dbraw/zinc/80/09/78/779800978.db2.gz XEBICICCTBGINY-UHFFFAOYSA-N 1 1 322.369 -1.492 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150688 779801131 /nfs/dbraw/zinc/80/11/31/779801131.db2.gz PNVHGIXLKPFJNI-LLVKDONJSA-N 1 1 321.385 -1.054 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001160174281 779801360 /nfs/dbraw/zinc/80/13/60/779801360.db2.gz TXZTXTIAOLWVLY-COPLHBTASA-N 1 1 309.370 -2.375 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001160172710 779801686 /nfs/dbraw/zinc/80/16/86/779801686.db2.gz RGAIUXDKGGBWTH-QMMMGPOBSA-N 1 1 324.341 -1.174 20 0 DAADMO Cn1cc(N2C[C@@H]3CN(C(=O)CNCCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160218702 779803027 /nfs/dbraw/zinc/80/30/27/779803027.db2.gz RMALBPGHJKFBGM-AAEUAGOBSA-N 1 1 320.397 -1.220 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160439781 779806060 /nfs/dbraw/zinc/80/60/60/779806060.db2.gz MWEGCBBDRDHKFS-QWRGUYRKSA-N 1 1 323.353 -1.440 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001160432546 779806107 /nfs/dbraw/zinc/80/61/07/779806107.db2.gz ZPFHCFXDYVZXIY-FOGDFJRCSA-N 1 1 302.400 -1.688 20 0 DAADMO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160492041 779807982 /nfs/dbraw/zinc/80/79/82/779807982.db2.gz CPVVSOATBHOJQD-QHOPCYEYSA-N 1 1 317.367 -1.708 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160484866 779808104 /nfs/dbraw/zinc/80/81/04/779808104.db2.gz HRGLHSYHQFRBHW-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001160483302 779808262 /nfs/dbraw/zinc/80/82/62/779808262.db2.gz IFLSUHYLCOUSBN-OLZOCXBDSA-N 1 1 309.414 -1.558 20 0 DAADMO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160492031 779808450 /nfs/dbraw/zinc/80/84/50/779808450.db2.gz CPVVSOATBHOJQD-CHIQAWFVSA-N 1 1 317.367 -1.708 20 0 DAADMO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160493584 779809742 /nfs/dbraw/zinc/80/97/42/779809742.db2.gz NNUOOKKZGCNBNQ-QXFUBDJGSA-N 1 1 318.351 -1.409 20 0 DAADMO CN1CCN(CC(=O)NCCC2=CC[N@@H+](CCO)CC2)CC1=O ZINC001160551102 779811081 /nfs/dbraw/zinc/81/10/81/779811081.db2.gz GWRHPAGTIDXDAO-UHFFFAOYSA-N 1 1 324.425 -1.109 20 0 DAADMO NC(=O)c1ccc(C[C@H](N)C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160655920 779814883 /nfs/dbraw/zinc/81/48/83/779814883.db2.gz RQBAABIVAYRLHQ-FRRDWIJNSA-N 1 1 306.366 -1.424 20 0 DAADMO CN(CCC1OCCO1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001160682640 779816503 /nfs/dbraw/zinc/81/65/03/779816503.db2.gz HFDJHRYZSPBTJR-GFCCVEGCSA-N 1 1 300.403 -1.042 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001160787916 779818166 /nfs/dbraw/zinc/81/81/66/779818166.db2.gz NTIOJSPFUWDIDK-PWSUYJOCSA-N 1 1 307.354 -1.040 20 0 DAADMO CCOC(=O)[C@]12CN(C(=O)[C@@H]3CNCCO3)C[C@H]1C[NH2+]CC2 ZINC001160811659 779819656 /nfs/dbraw/zinc/81/96/56/779819656.db2.gz RRLCVVVGVFMCEA-TYNCELHUSA-N 1 1 311.382 -1.024 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001160860202 779821451 /nfs/dbraw/zinc/82/14/51/779821451.db2.gz FODIJZZKHWTFOV-CYBMUJFWSA-N 1 1 324.425 -1.063 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160928035 779823102 /nfs/dbraw/zinc/82/31/02/779823102.db2.gz WVJLETMIMJFFNN-GFCCVEGCSA-N 1 1 324.385 -1.031 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NCCC[NH2+]CC(N)=O ZINC001160951122 779823307 /nfs/dbraw/zinc/82/33/07/779823307.db2.gz FPPIDSQHEIBVGL-UHFFFAOYSA-N 1 1 300.403 -1.074 20 0 DAADMO Cn1nnc(C(=O)NCCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC001160927123 779823339 /nfs/dbraw/zinc/82/33/39/779823339.db2.gz AAULQSJDHWUNSI-NSHDSACASA-N 1 1 319.369 -1.149 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160928038 779823499 /nfs/dbraw/zinc/82/34/99/779823499.db2.gz WVJLETMIMJFFNN-LBPRGKRZSA-N 1 1 324.385 -1.031 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001161071175 779824797 /nfs/dbraw/zinc/82/47/97/779824797.db2.gz VUDJIOMCFBYUPQ-ZDUSSCGKSA-N 1 1 321.381 -1.132 20 0 DAADMO O=C(NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001161050238 779824842 /nfs/dbraw/zinc/82/48/42/779824842.db2.gz DIJPKEHPJQLIOT-NEPJUHHUSA-N 1 1 321.381 -1.305 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161051527 779824871 /nfs/dbraw/zinc/82/48/71/779824871.db2.gz YTIJWRBBFDWSFZ-MWLCHTKSSA-N 1 1 309.370 -1.320 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050727 779825439 /nfs/dbraw/zinc/82/54/39/779825439.db2.gz KWNKYEZZZJQBOV-PWSUYJOCSA-N 1 1 323.397 -1.059 20 0 DAADMO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161139642 779827906 /nfs/dbraw/zinc/82/79/06/779827906.db2.gz ZMDRLYSLVHATHE-SMDDNHRTSA-N 1 1 313.402 -2.160 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CCN1C(C)=O ZINC001161295158 779833503 /nfs/dbraw/zinc/83/35/03/779833503.db2.gz HBZRSNVIPDPTOK-NEPJUHHUSA-N 1 1 323.353 -1.488 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CNCCC1=O)CC2 ZINC001161478371 779839347 /nfs/dbraw/zinc/83/93/47/779839347.db2.gz MCRVJFUMYNINKQ-GMXABZIVSA-N 1 1 309.366 -1.081 20 0 DAADMO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cn1cccn1)CC2 ZINC001161479649 779839365 /nfs/dbraw/zinc/83/93/65/779839365.db2.gz QJEAKRPJSGIICC-SLEUVZQESA-N 1 1 321.381 -1.036 20 0 DAADMO CN(C1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1 ZINC001161499100 779840521 /nfs/dbraw/zinc/84/05/21/779840521.db2.gz NRHSDTAIDDAKDK-AAEUAGOBSA-N 1 1 310.398 -1.752 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)C[C@@H]1[NH3+] ZINC001161493251 779840760 /nfs/dbraw/zinc/84/07/60/779840760.db2.gz HSTHEWPQPHYRSJ-MELADBBJSA-N 1 1 320.393 -1.143 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCNC2(CC2)C1)C(N)=O ZINC001161550524 779842130 /nfs/dbraw/zinc/84/21/30/779842130.db2.gz LSJKPVMPJJBOLD-VHSXEESVSA-N 1 1 311.386 -1.952 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)CCn2cnnn2)CC1 ZINC001161553514 779842351 /nfs/dbraw/zinc/84/23/51/779842351.db2.gz CCCAZGGTSXUQFU-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)CCn2cnnn2)CC1 ZINC001161553514 779842360 /nfs/dbraw/zinc/84/23/60/779842360.db2.gz CCCAZGGTSXUQFU-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001161601679 779843571 /nfs/dbraw/zinc/84/35/71/779843571.db2.gz JRNGFPYIIUSFQB-MROQNXINSA-N 1 1 300.378 -1.053 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)Nc1cnccn1 ZINC001161690828 779843802 /nfs/dbraw/zinc/84/38/02/779843802.db2.gz IVDIBLVGOXBOQH-UHFFFAOYSA-N 1 1 304.314 -1.057 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC(=O)NC1CC1 ZINC001161691860 779844068 /nfs/dbraw/zinc/84/40/68/779844068.db2.gz ZITQWGOUSVUKBS-UHFFFAOYSA-N 1 1 309.330 -1.498 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161690510 779844213 /nfs/dbraw/zinc/84/42/13/779844213.db2.gz CFHZJZGKLGLFDF-QMMMGPOBSA-N 1 1 311.346 -1.252 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC[C@@H]1CCOC1 ZINC001161706747 779844660 /nfs/dbraw/zinc/84/46/60/779844660.db2.gz GWJRTPBCCWTIJL-JTQLQIEISA-N 1 1 310.358 -1.333 20 0 DAADMO O=C(NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnn[nH]1 ZINC001161707495 779844723 /nfs/dbraw/zinc/84/47/23/779844723.db2.gz ZJJBXSUSMVUMEY-VIFPVBQESA-N 1 1 324.341 -1.976 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCCNC(=O)c2cnn[nH]2)n(C)c1=O ZINC001161711578 779844953 /nfs/dbraw/zinc/84/49/53/779844953.db2.gz XEELDJVSCDGZMC-UHFFFAOYSA-N 1 1 321.341 -1.888 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707254 779845030 /nfs/dbraw/zinc/84/50/30/779845030.db2.gz SORBPHOKKUZPFN-MNOVXSKESA-N 1 1 315.374 -1.073 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001161839124 779846471 /nfs/dbraw/zinc/84/64/71/779846471.db2.gz ASDZQLZNXNRXFP-UHFFFAOYSA-N 1 1 322.365 -1.241 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001161839124 779846476 /nfs/dbraw/zinc/84/64/76/779846476.db2.gz ASDZQLZNXNRXFP-UHFFFAOYSA-N 1 1 322.365 -1.241 20 0 DAADMO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001161889146 779846717 /nfs/dbraw/zinc/84/67/17/779846717.db2.gz RQMLCNLHUCAHCJ-LBPRGKRZSA-N 1 1 317.411 -1.191 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001161839657 779847261 /nfs/dbraw/zinc/84/72/61/779847261.db2.gz ZCZHPIBDFJFRJB-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001161839657 779847272 /nfs/dbraw/zinc/84/72/72/779847272.db2.gz ZCZHPIBDFJFRJB-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)Cn2ccc(=O)[nH]c2=O)o1 ZINC001161957951 779847750 /nfs/dbraw/zinc/84/77/50/779847750.db2.gz LGFXXCWSICRSPO-UHFFFAOYSA-N 1 1 322.325 -1.064 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NCCC[NH2+]CC(N)=O)cc1=O ZINC001161942145 779847845 /nfs/dbraw/zinc/84/78/45/779847845.db2.gz YNZMBHXBASOOKC-UHFFFAOYSA-N 1 1 311.386 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001162044389 779849201 /nfs/dbraw/zinc/84/92/01/779849201.db2.gz LWIMGUOLRGNSSW-SECBINFHSA-N 1 1 316.387 -1.759 20 0 DAADMO COc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1NC(C)C ZINC001162435548 779851881 /nfs/dbraw/zinc/85/18/81/779851881.db2.gz CZYKYRSQNKFQEX-NHCYSSNCSA-N 1 1 308.390 -1.198 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(CN3CCOCC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162435491 779852189 /nfs/dbraw/zinc/85/21/89/779852189.db2.gz CSEYKSXWLMYPKI-ZNMIVQPWSA-N 1 1 319.413 -1.589 20 0 DAADMO Cc1cc(N2CCCC2)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162436772 779853387 /nfs/dbraw/zinc/85/33/87/779853387.db2.gz PPOZNLRFSRZMAY-AGIUHOORSA-N 1 1 304.402 -1.118 20 0 DAADMO CC(C)(C)C(=O)Nc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nn1 ZINC001162437707 779853416 /nfs/dbraw/zinc/85/34/16/779853416.db2.gz CXTKDGVVTDCSDK-GRYCIOLGSA-N 1 1 320.401 -1.042 20 0 DAADMO CCOC(=O)Cc1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162437593 779853425 /nfs/dbraw/zinc/85/34/25/779853425.db2.gz VGMUMDMGXDEVDB-SGMGOOAPSA-N 1 1 306.370 -1.316 20 0 DAADMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1C(N)=O ZINC001162436606 779853452 /nfs/dbraw/zinc/85/34/52/779853452.db2.gz NTXQJASSXKHCFN-VDDIYKPWSA-N 1 1 311.777 -1.361 20 0 DAADMO CSc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162437811 779854364 /nfs/dbraw/zinc/85/43/64/779854364.db2.gz VVPPWFDAIIVEDR-SRQIZXRXSA-N 1 1 302.795 -1.256 20 0 DAADMO CCOC(=O)c1c(C)ncnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162439913 779854863 /nfs/dbraw/zinc/85/48/63/779854863.db2.gz PAZZHTLGBLKIID-JBLDHEPKSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1 ZINC001162438793 779854913 /nfs/dbraw/zinc/85/49/13/779854913.db2.gz HQXIJCSAPDPRCL-MELADBBJSA-N 1 1 306.370 -1.316 20 0 DAADMO COC(=O)c1c(C)cc(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162440333 779855059 /nfs/dbraw/zinc/85/50/59/779855059.db2.gz QSUNXNGJTVGYGR-GMXVVIOVSA-N 1 1 306.370 -1.018 20 0 DAADMO CCOC(=O)c1cc(F)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162438390 779855077 /nfs/dbraw/zinc/85/50/77/779855077.db2.gz YAVLUNZHBAYDQX-JFGNBEQYSA-N 1 1 310.333 -1.106 20 0 DAADMO Cc1nc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2[nH]1 ZINC001162440768 779855110 /nfs/dbraw/zinc/85/51/10/779855110.db2.gz VKFTXAOCVYOMQB-GCHGDONOSA-N 1 1 309.765 -1.188 20 0 DAADMO CN1CC(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc21 ZINC001162438975 779855296 /nfs/dbraw/zinc/85/52/96/779855296.db2.gz JBXYBGZNATZAFJ-ATZCPNFKSA-N 1 1 305.346 -2.638 20 0 DAADMO CCOC(=O)c1cnc(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162439322 779855542 /nfs/dbraw/zinc/85/55/42/779855542.db2.gz LAYMWCXLEOHAQB-SCVCMEIPSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1C ZINC001162438690 779855722 /nfs/dbraw/zinc/85/57/22/779855722.db2.gz HHUBRLPBKQHACE-OUAUKWLOSA-N 1 1 307.358 -1.541 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2NCN[C@H]21 ZINC001162444378 779856598 /nfs/dbraw/zinc/85/65/98/779856598.db2.gz BICXVLHPSWZUFK-XQQFMLRXSA-N 1 1 314.353 -1.876 20 0 DAADMO NC(=O)c1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc(C2CC2)n1 ZINC001162443317 779856798 /nfs/dbraw/zinc/85/67/98/779856798.db2.gz GIHHNJASYLIBGI-KWBADKCTSA-N 1 1 304.358 -2.050 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CN[C@H](N)[C@H]4NCN[C@@H]43)n2)CC1 ZINC001162443131 779856893 /nfs/dbraw/zinc/85/68/93/779856893.db2.gz FXQZLSVLMQYDPJ-FRRDWIJNSA-N 1 1 319.417 -2.275 20 0 DAADMO CN(C)c1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc2nc[nH]c21 ZINC001162441548 779857175 /nfs/dbraw/zinc/85/71/75/779857175.db2.gz YRDBGXMSYGGDCG-HKPALBBZSA-N 1 1 304.362 -2.084 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCSCC3)ncn2)[C@@H]2NCN[C@@H]21 ZINC001162443054 779857279 /nfs/dbraw/zinc/85/72/79/779857279.db2.gz FMLXDHPUOPFMLU-UPJWGTAASA-N 1 1 322.442 -1.473 20 0 DAADMO COCCOC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001162443418 779857397 /nfs/dbraw/zinc/85/73/97/779857397.db2.gz GZCZTOBBJSUHLC-AVGNSLFASA-N 1 1 322.369 -1.618 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162443820 779857445 /nfs/dbraw/zinc/85/74/45/779857445.db2.gz KCELZQDWXSERIW-IJLUTSLNSA-N 1 1 304.358 -2.134 20 0 DAADMO C[C@@H]1CC(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c21 ZINC001162441203 779857711 /nfs/dbraw/zinc/85/77/11/779857711.db2.gz XKSJPVOAYKPDON-VZIOVUSZSA-N 1 1 304.358 -1.581 20 0 DAADMO CN(C)c1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc2nc[nH]c21 ZINC001162441554 779857752 /nfs/dbraw/zinc/85/77/52/779857752.db2.gz YRDBGXMSYGGDCG-KDILMLJESA-N 1 1 304.362 -2.084 20 0 DAADMO Cc1noc(-c2cccnc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162445081 779858065 /nfs/dbraw/zinc/85/80/65/779858065.db2.gz DONYTMNGORFFAM-NHCYSSNCSA-N 1 1 302.342 -1.063 20 0 DAADMO Cc1noc(-c2cccnc2N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162445082 779858397 /nfs/dbraw/zinc/85/83/97/779858397.db2.gz DONYTMNGORFFAM-SCVCMEIPSA-N 1 1 302.342 -1.063 20 0 DAADMO Cc1cc2c(c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n1)C(=O)NC2=O ZINC001162444985 779858564 /nfs/dbraw/zinc/85/85/64/779858564.db2.gz DKKJEDLXJAMTRT-ATZCPNFKSA-N 1 1 303.326 -2.229 20 0 DAADMO Cc1nc(-n2cncn2)cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162444501 779858595 /nfs/dbraw/zinc/85/85/95/779858595.db2.gz PCCCHHDOAAIHBP-WOPDTQHZSA-N 1 1 302.346 -2.137 20 0 DAADMO CNS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162445149 779858609 /nfs/dbraw/zinc/85/86/09/779858609.db2.gz FGCOZRNWWTWGFA-QXEWZRGKSA-N 1 1 313.387 -2.513 20 0 DAADMO CNC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162444892 779858663 /nfs/dbraw/zinc/85/86/63/779858663.db2.gz QZDDLPZAQMPKEC-VGMNWLOBSA-N 1 1 312.765 -2.014 20 0 DAADMO CCCNC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1 ZINC001162445649 779859097 /nfs/dbraw/zinc/85/90/97/779859097.db2.gz GFFLLSNULMARCV-AGIUHOORSA-N 1 1 305.386 -1.282 20 0 DAADMO [NH3+][C@@H]1NCN(c2cccc(N3CCOCC3)n2)[C@@H]2NCN[C@H]21 ZINC001162449026 779859577 /nfs/dbraw/zinc/85/95/77/779859577.db2.gz SULIOJMQPCVVGM-MJBXVCDLSA-N 1 1 305.386 -1.585 20 0 DAADMO Cc1cn(-c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nn2)cn1 ZINC001162448576 779859963 /nfs/dbraw/zinc/85/99/63/779859963.db2.gz QXYIEYSQFQEHJY-AVGNSLFASA-N 1 1 301.358 -1.532 20 0 DAADMO Cc1noc(-c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc2)n1 ZINC001162448984 779860076 /nfs/dbraw/zinc/86/00/76/779860076.db2.gz SODQTRUTHDBGEA-SRVKXCTJSA-N 1 1 302.342 -1.063 20 0 DAADMO NC(=O)c1cc2ccccc2c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162446837 779860297 /nfs/dbraw/zinc/86/02/97/779860297.db2.gz JNDPWWIDGXPBCD-XUJVJEKNSA-N 1 1 313.365 -1.169 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2ncn3C2CC2)[C@@H]2NCN[C@@H]21 ZINC001162446387 779860480 /nfs/dbraw/zinc/86/04/80/779860480.db2.gz HOWRGGHFFRICHU-IEBDPFPHSA-N 1 1 301.358 -1.342 20 0 DAADMO Cc1cn(-c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nn2)cn1 ZINC001162448575 779860693 /nfs/dbraw/zinc/86/06/93/779860693.db2.gz QXYIEYSQFQEHJY-AGIUHOORSA-N 1 1 301.358 -1.532 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2NCN[C@@H]21 ZINC001162446214 779860760 /nfs/dbraw/zinc/86/07/60/779860760.db2.gz HMYSLIAOITUCSD-MCIONIFRSA-N 1 1 317.397 -1.186 20 0 DAADMO CON(C)C(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162449253 779860801 /nfs/dbraw/zinc/86/08/01/779860801.db2.gz UNRRUNXAPDMCQO-SCVCMEIPSA-N 1 1 307.358 -1.788 20 0 DAADMO COCC1(CNC(=O)C(N)=O)CC[NH+](Cc2cnnn2C)CC1 ZINC001162450335 779861087 /nfs/dbraw/zinc/86/10/87/779861087.db2.gz VTDPAVASKZDNBQ-UHFFFAOYSA-N 1 1 324.385 -1.355 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nn1 ZINC001162450282 779861509 /nfs/dbraw/zinc/86/15/09/779861509.db2.gz ZPCPKIGPYMPYOS-AVGNSLFASA-N 1 1 307.358 -1.921 20 0 DAADMO Cc1nc2c(nc(Cl)nc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1C ZINC001162450271 779862074 /nfs/dbraw/zinc/86/20/74/779862074.db2.gz ZMAMIGLXDGPESV-XVYDVKMFSA-N 1 1 323.792 -1.178 20 0 DAADMO COC(=O)c1cc2c(N3CCNC(=O)C34C[NH2+]C4)[nH]cnc-2n1 ZINC001165298660 779882592 /nfs/dbraw/zinc/88/25/92/779882592.db2.gz ZSBHRQJERITFLH-UHFFFAOYSA-N 1 1 316.321 -1.026 20 0 DAADMO COC(=O)[C@@H]1CNCCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001165438577 779883779 /nfs/dbraw/zinc/88/37/79/779883779.db2.gz HJGIIPXKPWLCMP-NSHDSACASA-N 1 1 306.370 -1.163 20 0 DAADMO O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)c1[nH]ncc1F ZINC001166111397 779888351 /nfs/dbraw/zinc/88/83/51/779888351.db2.gz KJRGSHWGRFYEFN-UHFFFAOYSA-N 1 1 312.305 -1.190 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)c2cnn[nH]2)CC1 ZINC001165948139 779888490 /nfs/dbraw/zinc/88/84/90/779888490.db2.gz MUPKEYGTRVBIGT-UHFFFAOYSA-N 1 1 309.330 -1.511 20 0 DAADMO COC(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1C(=O)OC ZINC001166723829 779891457 /nfs/dbraw/zinc/89/14/57/779891457.db2.gz KDKAJYWREFNRQG-SECBINFHSA-N 1 1 322.321 -1.082 20 0 DAADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[NH2+][C@@H](C(N)=O)C2)ncn1 ZINC001166724388 779891732 /nfs/dbraw/zinc/89/17/32/779891732.db2.gz PMUARLWHTCUZLU-ZJUUUORDSA-N 1 1 319.369 -1.806 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707251 779891821 /nfs/dbraw/zinc/89/18/21/779891821.db2.gz FBBVFOXUUCGTHM-QWRGUYRKSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707251 779891830 /nfs/dbraw/zinc/89/18/30/779891830.db2.gz FBBVFOXUUCGTHM-QWRGUYRKSA-N 1 1 310.402 -1.098 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1c[nH]nn1 ZINC001166954057 779896219 /nfs/dbraw/zinc/89/62/19/779896219.db2.gz YRGSVBPIKRWGBS-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCc1cnn[nH]1 ZINC001166954057 779896224 /nfs/dbraw/zinc/89/62/24/779896224.db2.gz YRGSVBPIKRWGBS-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001276461775 779900258 /nfs/dbraw/zinc/90/02/58/779900258.db2.gz WGVQEKXQRJXFCC-MWLCHTKSSA-N 1 1 324.381 -1.164 20 0 DAADMO NC(=O)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205116154 779901468 /nfs/dbraw/zinc/90/14/68/779901468.db2.gz RCLHOVSBFIAUNW-ZIAGYGMSSA-N 1 1 321.377 -1.072 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOC)C1 ZINC001205723641 779903403 /nfs/dbraw/zinc/90/34/03/779903403.db2.gz SCDXCFADTSVFPL-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOC)C1 ZINC001205723641 779903408 /nfs/dbraw/zinc/90/34/08/779903408.db2.gz SCDXCFADTSVFPL-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896231 779903993 /nfs/dbraw/zinc/90/39/93/779903993.db2.gz OBKCOZJVODGZHE-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896231 779904001 /nfs/dbraw/zinc/90/40/01/779904001.db2.gz OBKCOZJVODGZHE-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896420 779905163 /nfs/dbraw/zinc/90/51/63/779905163.db2.gz XCBDXYXAQIFPCU-HTQZYQBOSA-N 1 1 310.318 -2.696 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896420 779905167 /nfs/dbraw/zinc/90/51/67/779905167.db2.gz XCBDXYXAQIFPCU-HTQZYQBOSA-N 1 1 310.318 -2.696 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205943839 779906360 /nfs/dbraw/zinc/90/63/60/779906360.db2.gz GTVFEYGHNOHKJV-GHMZBOCLSA-N 1 1 313.402 -1.137 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205943839 779906363 /nfs/dbraw/zinc/90/63/63/779906363.db2.gz GTVFEYGHNOHKJV-GHMZBOCLSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CNC(N)=O ZINC001205930180 779906645 /nfs/dbraw/zinc/90/66/45/779906645.db2.gz WKSMAAZOYNUZKO-ZYHUDNBSSA-N 1 1 321.381 -1.010 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001205943697 779906739 /nfs/dbraw/zinc/90/67/39/779906739.db2.gz CKMQPPNVTLKECM-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937889 779906844 /nfs/dbraw/zinc/90/68/44/779906844.db2.gz XYMYFHJPILRWIJ-HLTSFMKQSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937889 779906847 /nfs/dbraw/zinc/90/68/47/779906847.db2.gz XYMYFHJPILRWIJ-HLTSFMKQSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206209576 779907557 /nfs/dbraw/zinc/90/75/57/779907557.db2.gz IMYZBDAYCKWGJD-JLLWLGSASA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206209576 779907565 /nfs/dbraw/zinc/90/75/65/779907565.db2.gz IMYZBDAYCKWGJD-JLLWLGSASA-N 1 1 308.382 -1.162 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206130586 779907708 /nfs/dbraw/zinc/90/77/08/779907708.db2.gz RWYOGXTWOICGIW-PSASIEDQSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206130586 779907712 /nfs/dbraw/zinc/90/77/12/779907712.db2.gz RWYOGXTWOICGIW-PSASIEDQSA-N 1 1 313.358 -1.904 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206301877 779907873 /nfs/dbraw/zinc/90/78/73/779907873.db2.gz YESKTIMSBFGEJT-GMTAPVOTSA-N 1 1 303.359 -1.214 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cccn1 ZINC001206102824 779907957 /nfs/dbraw/zinc/90/79/57/779907957.db2.gz SVMXPQUANGXWEG-GHMZBOCLSA-N 1 1 322.369 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1cccn1 ZINC001206102824 779907961 /nfs/dbraw/zinc/90/79/61/779907961.db2.gz SVMXPQUANGXWEG-GHMZBOCLSA-N 1 1 322.369 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001206726879 779910245 /nfs/dbraw/zinc/91/02/45/779910245.db2.gz WQIJNEDGLDTWAZ-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC(N)=O ZINC001206721057 779910854 /nfs/dbraw/zinc/91/08/54/779910854.db2.gz NSDFQSXRSGWXIS-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC(N)=O ZINC001206721057 779910858 /nfs/dbraw/zinc/91/08/58/779910858.db2.gz NSDFQSXRSGWXIS-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001206825570 779911119 /nfs/dbraw/zinc/91/11/19/779911119.db2.gz OTDGTIRGQHWFOE-LDYMZIIASA-N 1 1 322.369 -1.108 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001206825570 779911123 /nfs/dbraw/zinc/91/11/23/779911123.db2.gz OTDGTIRGQHWFOE-LDYMZIIASA-N 1 1 322.369 -1.108 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)[nH]n1 ZINC001206825570 779911127 /nfs/dbraw/zinc/91/11/27/779911127.db2.gz OTDGTIRGQHWFOE-LDYMZIIASA-N 1 1 322.369 -1.108 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206890782 779912901 /nfs/dbraw/zinc/91/29/01/779912901.db2.gz HQTBGTFEWHVVEP-GMTAPVOTSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001206900939 779913010 /nfs/dbraw/zinc/91/30/10/779913010.db2.gz YHDINHAPCSTNBG-HRDYMLBCSA-N 1 1 313.358 -1.858 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001206900939 779913012 /nfs/dbraw/zinc/91/30/12/779913012.db2.gz YHDINHAPCSTNBG-HRDYMLBCSA-N 1 1 313.358 -1.858 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001206899377 779913051 /nfs/dbraw/zinc/91/30/51/779913051.db2.gz HLTPOZIACKOMOB-LERXQTSPSA-N 1 1 313.398 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906555 779914190 /nfs/dbraw/zinc/91/41/90/779914190.db2.gz SPGHOOSPDPARHL-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906555 779914195 /nfs/dbraw/zinc/91/41/95/779914195.db2.gz SPGHOOSPDPARHL-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206919285 779914222 /nfs/dbraw/zinc/91/42/22/779914222.db2.gz OIQDYKOKFAAYJA-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206919285 779914224 /nfs/dbraw/zinc/91/42/24/779914224.db2.gz OIQDYKOKFAAYJA-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206928376 779914252 /nfs/dbraw/zinc/91/42/52/779914252.db2.gz SMNMGBDQUVEIRJ-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206928376 779914255 /nfs/dbraw/zinc/91/42/55/779914255.db2.gz SMNMGBDQUVEIRJ-IWSPIJDZSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206919284 779914778 /nfs/dbraw/zinc/91/47/78/779914778.db2.gz OIQDYKOKFAAYJA-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206919284 779914780 /nfs/dbraw/zinc/91/47/80/779914780.db2.gz OIQDYKOKFAAYJA-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001206919125 779914832 /nfs/dbraw/zinc/91/48/32/779914832.db2.gz IVGAYBAZUZUUOX-PRJMDXOYSA-N 1 1 313.314 -2.274 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001206919125 779914834 /nfs/dbraw/zinc/91/48/34/779914834.db2.gz IVGAYBAZUZUUOX-PRJMDXOYSA-N 1 1 313.314 -2.274 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)NC(N)=O ZINC001206970524 779915567 /nfs/dbraw/zinc/91/55/67/779915567.db2.gz VEWPIXNEOHCUGN-GRYCIOLGSA-N 1 1 316.402 -1.121 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001206933823 779915720 /nfs/dbraw/zinc/91/57/20/779915720.db2.gz JQAIRRGFGQXDRM-GRYCIOLGSA-N 1 1 316.402 -1.251 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001206933592 779915754 /nfs/dbraw/zinc/91/57/54/779915754.db2.gz CAAGIHPXTSJCLU-MXWKQRLJSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001206933592 779915761 /nfs/dbraw/zinc/91/57/61/779915761.db2.gz CAAGIHPXTSJCLU-MXWKQRLJSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001206932551 779915809 /nfs/dbraw/zinc/91/58/09/779915809.db2.gz JCBCZJSXMHOISY-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001206932551 779915812 /nfs/dbraw/zinc/91/58/12/779915812.db2.gz JCBCZJSXMHOISY-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206976720 779915912 /nfs/dbraw/zinc/91/59/12/779915912.db2.gz ASXHGJFLQAOUOF-HTQZYQBOSA-N 1 1 310.318 -2.696 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206976720 779915914 /nfs/dbraw/zinc/91/59/14/779915914.db2.gz ASXHGJFLQAOUOF-HTQZYQBOSA-N 1 1 310.318 -2.696 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976975 779916311 /nfs/dbraw/zinc/91/63/11/779916311.db2.gz MXRCTWGBRMWZFL-HRDYMLBCSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976975 779916314 /nfs/dbraw/zinc/91/63/14/779916314.db2.gz MXRCTWGBRMWZFL-HRDYMLBCSA-N 1 1 324.345 -2.307 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001206933591 779916325 /nfs/dbraw/zinc/91/63/25/779916325.db2.gz CAAGIHPXTSJCLU-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001206933591 779916330 /nfs/dbraw/zinc/91/63/30/779916330.db2.gz CAAGIHPXTSJCLU-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207065603 779917502 /nfs/dbraw/zinc/91/75/02/779917502.db2.gz GLBXLLVDBRJVDI-KXUCPTDWSA-N 1 1 300.359 -1.941 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207065603 779917507 /nfs/dbraw/zinc/91/75/07/779917507.db2.gz GLBXLLVDBRJVDI-KXUCPTDWSA-N 1 1 300.359 -1.941 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207153337 779918741 /nfs/dbraw/zinc/91/87/41/779918741.db2.gz UULCPVBGQKEKFS-OPRDCNLKSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207153337 779918747 /nfs/dbraw/zinc/91/87/47/779918747.db2.gz UULCPVBGQKEKFS-OPRDCNLKSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1)c1nnnn1C ZINC001207268647 779920225 /nfs/dbraw/zinc/92/02/25/779920225.db2.gz XEBRXWYDWJKXFV-DTWKUNHWSA-N 1 1 310.362 -1.480 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001207284261 779920233 /nfs/dbraw/zinc/92/02/33/779920233.db2.gz QDEMAWWACNILFO-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207284035 779920308 /nfs/dbraw/zinc/92/03/08/779920308.db2.gz MGIIBDASJNSWIP-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207284035 779920311 /nfs/dbraw/zinc/92/03/11/779920311.db2.gz MGIIBDASJNSWIP-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207315667 779920355 /nfs/dbraw/zinc/92/03/55/779920355.db2.gz VVXOVNRPJPLKSE-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207307753 779920529 /nfs/dbraw/zinc/92/05/29/779920529.db2.gz ZOFIPDJFYLTMTP-GMTAPVOTSA-N 1 1 314.386 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207307753 779920530 /nfs/dbraw/zinc/92/05/30/779920530.db2.gz ZOFIPDJFYLTMTP-GMTAPVOTSA-N 1 1 314.386 -1.599 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307033 779920552 /nfs/dbraw/zinc/92/05/52/779920552.db2.gz PCSDUYYTSCLRBI-GMTAPVOTSA-N 1 1 307.416 -1.305 20 0 DAADMO CS(=O)(=O)N1CCC(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001207447881 779921419 /nfs/dbraw/zinc/92/14/19/779921419.db2.gz IIQPAFLHXZZBFZ-NSHDSACASA-N 1 1 305.400 -1.156 20 0 DAADMO CS(=O)(=O)N1CCC(C[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC001207447881 779921426 /nfs/dbraw/zinc/92/14/26/779921426.db2.gz IIQPAFLHXZZBFZ-NSHDSACASA-N 1 1 305.400 -1.156 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001207376697 779921441 /nfs/dbraw/zinc/92/14/41/779921441.db2.gz SWCBIKAZSLHLDV-GMTAPVOTSA-N 1 1 302.375 -1.641 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001207376411 779921739 /nfs/dbraw/zinc/92/17/39/779921739.db2.gz NWBJCEGRKSFYNL-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207431600 779921789 /nfs/dbraw/zinc/92/17/89/779921789.db2.gz SDAYPQDSYVUSAN-NSHDSACASA-N 1 1 309.374 -1.231 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001207330873 779921832 /nfs/dbraw/zinc/92/18/32/779921832.db2.gz GPNCHELAXSBHII-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001207376412 779921964 /nfs/dbraw/zinc/92/19/64/779921964.db2.gz NWBJCEGRKSFYNL-MXWKQRLJSA-N 1 1 311.386 -1.370 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207431599 779921986 /nfs/dbraw/zinc/92/19/86/779921986.db2.gz SDAYPQDSYVUSAN-LLVKDONJSA-N 1 1 309.374 -1.231 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001207384971 779922078 /nfs/dbraw/zinc/92/20/78/779922078.db2.gz YKVYYCDEYGUEJJ-GHMZBOCLSA-N 1 1 309.374 -1.356 20 0 DAADMO C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546827 779923103 /nfs/dbraw/zinc/92/31/03/779923103.db2.gz BCLUAKDGNRLROU-UPJWGTAASA-N 1 1 322.413 -1.265 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001207587657 779923186 /nfs/dbraw/zinc/92/31/86/779923186.db2.gz VPNQGIHWJXTFHN-NTZNESFSSA-N 1 1 324.381 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207728955 779925373 /nfs/dbraw/zinc/92/53/73/779925373.db2.gz YENBUYQKRAKJJJ-GRYCIOLGSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207728955 779925371 /nfs/dbraw/zinc/92/53/71/779925371.db2.gz YENBUYQKRAKJJJ-GRYCIOLGSA-N 1 1 322.427 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207804549 779925700 /nfs/dbraw/zinc/92/57/00/779925700.db2.gz HZIGABNCBBPCTR-IWSPIJDZSA-N 1 1 320.340 -1.061 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207804549 779925706 /nfs/dbraw/zinc/92/57/06/779925706.db2.gz HZIGABNCBBPCTR-IWSPIJDZSA-N 1 1 320.340 -1.061 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207871798 779927677 /nfs/dbraw/zinc/92/76/77/779927677.db2.gz BSXITABYMGOYPL-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207901487 779928901 /nfs/dbraw/zinc/92/89/01/779928901.db2.gz BQOJZPKOGNHWKH-OUAUKWLOSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207901487 779928909 /nfs/dbraw/zinc/92/89/09/779928909.db2.gz BQOJZPKOGNHWKH-OUAUKWLOSA-N 1 1 324.381 -1.164 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001207897976 779928945 /nfs/dbraw/zinc/92/89/45/779928945.db2.gz JAKQCCVGHIAILL-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001207897974 779929435 /nfs/dbraw/zinc/92/94/35/779929435.db2.gz JAKQCCVGHIAILL-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001207902636 779929564 /nfs/dbraw/zinc/92/95/64/779929564.db2.gz QJNVKOTWWNEURM-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001207909171 779930967 /nfs/dbraw/zinc/93/09/67/779930967.db2.gz OTTPRAPMORVBOU-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001208139481 779933173 /nfs/dbraw/zinc/93/31/73/779933173.db2.gz XQOIMOZQTLHWBD-OPRDCNLKSA-N 1 1 308.404 -2.143 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COCC(F)F ZINC001208081244 779933659 /nfs/dbraw/zinc/93/36/59/779933659.db2.gz IDIVNYBMNHFPKN-HTQZYQBOSA-N 1 1 322.312 -1.101 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COCC(F)F ZINC001208081244 779933664 /nfs/dbraw/zinc/93/36/64/779933664.db2.gz IDIVNYBMNHFPKN-HTQZYQBOSA-N 1 1 322.312 -1.101 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073830 779933915 /nfs/dbraw/zinc/93/39/15/779933915.db2.gz JBGDUXDMMMFNLU-OUAUKWLOSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073830 779933919 /nfs/dbraw/zinc/93/39/19/779933919.db2.gz JBGDUXDMMMFNLU-OUAUKWLOSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1ccnc1 ZINC001208252859 779934818 /nfs/dbraw/zinc/93/48/18/779934818.db2.gz XCDPEAXIYRNLDS-GHMZBOCLSA-N 1 1 322.369 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1ccnc1 ZINC001208252859 779934826 /nfs/dbraw/zinc/93/48/26/779934826.db2.gz XCDPEAXIYRNLDS-GHMZBOCLSA-N 1 1 322.369 -1.095 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001208278868 779935857 /nfs/dbraw/zinc/93/58/57/779935857.db2.gz CCIKQEYBFFDBPU-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001208278867 779936085 /nfs/dbraw/zinc/93/60/85/779936085.db2.gz CCIKQEYBFFDBPU-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001208363598 779937021 /nfs/dbraw/zinc/93/70/21/779937021.db2.gz HWWWMEQSWSXTLR-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449633 779938820 /nfs/dbraw/zinc/93/88/20/779938820.db2.gz AIXLQLUGTQYSNS-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001208428456 779939599 /nfs/dbraw/zinc/93/95/99/779939599.db2.gz WMCOLKDGROUWIR-ZYHUDNBSSA-N 1 1 310.354 -1.171 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208444913 779939667 /nfs/dbraw/zinc/93/96/67/779939667.db2.gz KIBJZEMGNOHYAD-OUAUKWLOSA-N 1 1 300.359 -1.887 20 0 DAADMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001208482546 779940798 /nfs/dbraw/zinc/94/07/98/779940798.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 1 1 323.397 -1.114 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001208482546 779940802 /nfs/dbraw/zinc/94/08/02/779940802.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 1 1 323.397 -1.114 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001208482546 779940805 /nfs/dbraw/zinc/94/08/05/779940805.db2.gz HTTYDCIKDLGITR-DDTOSNHZSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208475289 779941093 /nfs/dbraw/zinc/94/10/93/779941093.db2.gz RMOWHGIZJWVKJL-MXWKQRLJSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208475289 779941095 /nfs/dbraw/zinc/94/10/95/779941095.db2.gz RMOWHGIZJWVKJL-MXWKQRLJSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208455579 779941255 /nfs/dbraw/zinc/94/12/55/779941255.db2.gz WDEUNIVVRQOZER-RKDXNWHRSA-N 1 1 306.388 -2.023 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208455579 779941259 /nfs/dbraw/zinc/94/12/59/779941259.db2.gz WDEUNIVVRQOZER-RKDXNWHRSA-N 1 1 306.388 -2.023 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC(N)=O ZINC001276570981 779942278 /nfs/dbraw/zinc/94/22/78/779942278.db2.gz SUUSURABDFAZAE-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001208912667 779943630 /nfs/dbraw/zinc/94/36/30/779943630.db2.gz FKAWTMPBRCIJPT-FXPVBKGRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001208912667 779943641 /nfs/dbraw/zinc/94/36/41/779943641.db2.gz FKAWTMPBRCIJPT-FXPVBKGRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208913617 779944409 /nfs/dbraw/zinc/94/44/09/779944409.db2.gz PAKYGSOAADJIIB-HRDYMLBCSA-N 1 1 306.388 -2.154 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208913617 779944411 /nfs/dbraw/zinc/94/44/11/779944411.db2.gz PAKYGSOAADJIIB-HRDYMLBCSA-N 1 1 306.388 -2.154 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)O1 ZINC001209271045 779946728 /nfs/dbraw/zinc/94/67/28/779946728.db2.gz PHPKGOZNRUSAOW-KDBYPZKRSA-N 1 1 319.398 -1.075 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCOC[C@@](C)(O)C2)O1 ZINC001209269767 779947082 /nfs/dbraw/zinc/94/70/82/779947082.db2.gz BGIVZBQCIDTJJB-CZXHOFHRSA-N 1 1 305.371 -1.057 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+](CCN3CCOCC3)C[C@H]21 ZINC001209289346 779949180 /nfs/dbraw/zinc/94/91/80/779949180.db2.gz BBHJRFHTLUICOI-KGLIPLIRSA-N 1 1 312.414 -1.550 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](CCN3CCOCC3)C[C@H]21 ZINC001209289346 779949183 /nfs/dbraw/zinc/94/91/83/779949183.db2.gz BBHJRFHTLUICOI-KGLIPLIRSA-N 1 1 312.414 -1.550 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)O1 ZINC001209271464 779949314 /nfs/dbraw/zinc/94/93/14/779949314.db2.gz WFFFOIZREKRXKO-OKWIKPQFSA-N 1 1 319.398 -1.075 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CC(N3CCOCC3)C2)O1 ZINC001209275188 779949586 /nfs/dbraw/zinc/94/95/86/779949586.db2.gz SMASRJXNBNXGJT-HZSPNIEDSA-N 1 1 316.398 -1.124 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001276634208 779950721 /nfs/dbraw/zinc/95/07/21/779950721.db2.gz PXXLGZLJGWVTPO-WDEREUQCSA-N 1 1 306.370 -1.064 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276649691 779953084 /nfs/dbraw/zinc/95/30/84/779953084.db2.gz BUAYDJSOGRGZGD-OWUUHHOZSA-N 1 1 323.353 -2.292 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001209542853 779954948 /nfs/dbraw/zinc/95/49/48/779954948.db2.gz DEQOAYARXMRTJN-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723178 779955648 /nfs/dbraw/zinc/95/56/48/779955648.db2.gz PGZGJBNDWUDBMM-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722236 779955856 /nfs/dbraw/zinc/95/58/56/779955856.db2.gz DZGWUMKBCMVCFT-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722236 779955863 /nfs/dbraw/zinc/95/58/63/779955863.db2.gz DZGWUMKBCMVCFT-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722713 779956321 /nfs/dbraw/zinc/95/63/21/779956321.db2.gz JWRKLQSFADMLJH-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722713 779956330 /nfs/dbraw/zinc/95/63/30/779956330.db2.gz JWRKLQSFADMLJH-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722900 779956948 /nfs/dbraw/zinc/95/69/48/779956948.db2.gz MLHXKSZSUYWLNB-GRYCIOLGSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209713606 779957250 /nfs/dbraw/zinc/95/72/50/779957250.db2.gz OKQBCCOGFIZNAH-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209713606 779957258 /nfs/dbraw/zinc/95/72/58/779957258.db2.gz OKQBCCOGFIZNAH-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001210009509 779958532 /nfs/dbraw/zinc/95/85/32/779958532.db2.gz HCLHORVPZVDTJP-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209885026 779958721 /nfs/dbraw/zinc/95/87/21/779958721.db2.gz HEBGQGNCOMTJOC-GHMZBOCLSA-N 1 1 324.385 -1.486 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209885026 779958723 /nfs/dbraw/zinc/95/87/23/779958723.db2.gz HEBGQGNCOMTJOC-GHMZBOCLSA-N 1 1 324.385 -1.486 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001210124373 779959784 /nfs/dbraw/zinc/95/97/84/779959784.db2.gz CBQWSCGUOLTCLM-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001210700989 779963366 /nfs/dbraw/zinc/96/33/66/779963366.db2.gz ZJYAXQMYCSHMPR-OUAUKWLOSA-N 1 1 307.416 -1.305 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001210604721 779964090 /nfs/dbraw/zinc/96/40/90/779964090.db2.gz NXZUAAMQUYZMCP-NQBHXWOUSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210897918 779964656 /nfs/dbraw/zinc/96/46/56/779964656.db2.gz JJTNPEUYHNMLBN-OUAUKWLOSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCNC(N)=O ZINC001210898129 779965085 /nfs/dbraw/zinc/96/50/85/779965085.db2.gz PDGIREYMPXPHNS-GHMZBOCLSA-N 1 1 309.374 -1.227 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001210883469 779965495 /nfs/dbraw/zinc/96/54/95/779965495.db2.gz PRKSQUWBVHMRKF-OUAUKWLOSA-N 1 1 312.370 -1.207 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001211083279 779968197 /nfs/dbraw/zinc/96/81/97/779968197.db2.gz CHTAAOQGCQYRIT-OUAUKWLOSA-N 1 1 323.415 -2.021 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211299977 779969322 /nfs/dbraw/zinc/96/93/22/779969322.db2.gz FWVCOEWRTFZKOU-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCS(=O)(=O)N(C)C ZINC001211268338 779969500 /nfs/dbraw/zinc/96/95/00/779969500.db2.gz OGSCJJACUFLNRA-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCS(=O)(=O)N(C)C ZINC001211268338 779969509 /nfs/dbraw/zinc/96/95/09/779969509.db2.gz OGSCJJACUFLNRA-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001211300007 779970050 /nfs/dbraw/zinc/97/00/50/779970050.db2.gz GZCJSAIQUNQUTN-IJLUTSLNSA-N 1 1 324.385 -1.788 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001213258428 779970985 /nfs/dbraw/zinc/97/09/85/779970985.db2.gz PTLOFDNZPDRFHE-IJLUTSLNSA-N 1 1 314.386 -1.138 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213219561 779972112 /nfs/dbraw/zinc/97/21/12/779972112.db2.gz ZHMLUYNGQQZKDK-RKDXNWHRSA-N 1 1 310.376 -3.152 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001213219302 779972289 /nfs/dbraw/zinc/97/22/89/779972289.db2.gz LOFSSHBYKACGDT-NXEZZACHSA-N 1 1 324.403 -2.498 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC)S(N)(=O)=O ZINC001213217431 779972458 /nfs/dbraw/zinc/97/24/58/779972458.db2.gz UOXLSENRACCWLW-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC)S(N)(=O)=O ZINC001213217431 779972461 /nfs/dbraw/zinc/97/24/61/779972461.db2.gz UOXLSENRACCWLW-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001213275710 779973939 /nfs/dbraw/zinc/97/39/39/779973939.db2.gz PWVSPWVCOBNWMS-IVZWLZJFSA-N 1 1 314.346 -2.354 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001213275710 779973941 /nfs/dbraw/zinc/97/39/41/779973941.db2.gz PWVSPWVCOBNWMS-IVZWLZJFSA-N 1 1 314.346 -2.354 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001213275581 779974151 /nfs/dbraw/zinc/97/41/51/779974151.db2.gz KYTCWFLPUJUUAE-NXEZZACHSA-N 1 1 314.346 -2.352 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001213275581 779974163 /nfs/dbraw/zinc/97/41/63/779974163.db2.gz KYTCWFLPUJUUAE-NXEZZACHSA-N 1 1 314.346 -2.352 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344454 779974255 /nfs/dbraw/zinc/97/42/55/779974255.db2.gz RNOMLTAFUSJVRV-HBNTYKKESA-N 1 1 300.359 -1.480 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001213350015 779975550 /nfs/dbraw/zinc/97/55/50/779975550.db2.gz CEYVVSKOKFTETO-GMTAPVOTSA-N 1 1 319.358 -2.689 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001213350015 779975555 /nfs/dbraw/zinc/97/55/55/779975555.db2.gz CEYVVSKOKFTETO-GMTAPVOTSA-N 1 1 319.358 -2.689 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378235 779976447 /nfs/dbraw/zinc/97/64/47/779976447.db2.gz IIBXKVGVPPTDKQ-JHJVBQTASA-N 1 1 303.403 -1.239 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001213488822 779976672 /nfs/dbraw/zinc/97/66/72/779976672.db2.gz HIILBFRHTFSDID-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213414592 779977771 /nfs/dbraw/zinc/97/77/71/779977771.db2.gz SEMZKXDYSZKLOE-UPJWGTAASA-N 1 1 320.386 -1.528 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001213414592 779977774 /nfs/dbraw/zinc/97/77/74/779977774.db2.gz SEMZKXDYSZKLOE-UPJWGTAASA-N 1 1 320.386 -1.528 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213524569 779978608 /nfs/dbraw/zinc/97/86/08/779978608.db2.gz IXFUYCPHMYWIHX-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213524569 779978611 /nfs/dbraw/zinc/97/86/11/779978611.db2.gz IXFUYCPHMYWIHX-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](OC)C1 ZINC001213547621 779978659 /nfs/dbraw/zinc/97/86/59/779978659.db2.gz ZAPCYEKOCSWJIJ-GMTAPVOTSA-N 1 1 314.386 -1.456 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](OC)C1 ZINC001213547621 779978664 /nfs/dbraw/zinc/97/86/64/779978664.db2.gz ZAPCYEKOCSWJIJ-GMTAPVOTSA-N 1 1 314.386 -1.456 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccncn1 ZINC001213596772 779980253 /nfs/dbraw/zinc/98/02/53/779980253.db2.gz KNRLGTCSSYBQBV-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccncn1 ZINC001213596772 779980258 /nfs/dbraw/zinc/98/02/58/779980258.db2.gz KNRLGTCSSYBQBV-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001213615687 779980422 /nfs/dbraw/zinc/98/04/22/779980422.db2.gz FTULYPOXORHXPV-VXGBXAGGSA-N 1 1 312.370 -1.224 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213619949 779980857 /nfs/dbraw/zinc/98/08/57/779980857.db2.gz BAWHSPILUACIKZ-QJPTWQEYSA-N 1 1 312.374 -1.087 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](OC)C1 ZINC001213615555 779980972 /nfs/dbraw/zinc/98/09/72/779980972.db2.gz DGZUQWQBXXSCBT-IJLUTSLNSA-N 1 1 312.370 -1.225 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581467 779981217 /nfs/dbraw/zinc/98/12/17/779981217.db2.gz YMVJNQPQAPKVTE-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnon1 ZINC001213596566 779981231 /nfs/dbraw/zinc/98/12/31/779981231.db2.gz GJJARTZGRVHPMJ-GHMZBOCLSA-N 1 1 300.315 -1.493 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnon1 ZINC001213596566 779981238 /nfs/dbraw/zinc/98/12/38/779981238.db2.gz GJJARTZGRVHPMJ-GHMZBOCLSA-N 1 1 300.315 -1.493 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213613872 779981342 /nfs/dbraw/zinc/98/13/42/779981342.db2.gz DPDLWVVXKHAVAV-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@H](OC)C1 ZINC001213606777 779981552 /nfs/dbraw/zinc/98/15/52/779981552.db2.gz YPGZXSDPKCKCRW-RAIGVLPGSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001213744774 779982095 /nfs/dbraw/zinc/98/20/95/779982095.db2.gz ILZCDOSOJQHTGH-QJPTWQEYSA-N 1 1 315.370 -1.911 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213793454 779982532 /nfs/dbraw/zinc/98/25/32/779982532.db2.gz AOHUMJMZFTUCKN-GHMZBOCLSA-N 1 1 323.415 -1.660 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213793454 779982535 /nfs/dbraw/zinc/98/25/35/779982535.db2.gz AOHUMJMZFTUCKN-GHMZBOCLSA-N 1 1 323.415 -1.660 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1OC ZINC001213757730 779982557 /nfs/dbraw/zinc/98/25/57/779982557.db2.gz QLJAUUBWHPGDMG-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCc1nncn1C ZINC001213653869 779982775 /nfs/dbraw/zinc/98/27/75/779982775.db2.gz LUMMKCPCPMTLLE-GHMZBOCLSA-N 1 1 313.358 -1.861 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001213726291 779983091 /nfs/dbraw/zinc/98/30/91/779983091.db2.gz UGGQKVGORSCGDD-GMTAPVOTSA-N 1 1 316.402 -1.123 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](NC(C)=O)C(C)C ZINC001213755566 779983196 /nfs/dbraw/zinc/98/31/96/779983196.db2.gz CZUSKYWHQGUNBB-JHJVBQTASA-N 1 1 301.387 -1.045 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCNC(N)=O ZINC001213828809 779984602 /nfs/dbraw/zinc/98/46/02/779984602.db2.gz GNNLMIWBSSEHOL-VXGBXAGGSA-N 1 1 324.385 -1.243 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857809 779984897 /nfs/dbraw/zinc/98/48/97/779984897.db2.gz XHBIMJJPHBYXCU-BFHYXJOUSA-N 1 1 315.414 -1.238 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857809 779984906 /nfs/dbraw/zinc/98/49/06/779984906.db2.gz XHBIMJJPHBYXCU-BFHYXJOUSA-N 1 1 315.414 -1.238 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213831526 779985104 /nfs/dbraw/zinc/98/51/04/779985104.db2.gz XIPPGEYYDMLWEN-GMTAPVOTSA-N 1 1 302.375 -1.105 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001213977423 779986125 /nfs/dbraw/zinc/98/61/25/779986125.db2.gz CIFQHGHIXHWPOI-JHJVBQTASA-N 1 1 312.370 -1.294 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1OC ZINC001213874302 779986250 /nfs/dbraw/zinc/98/62/50/779986250.db2.gz NXQFEPRSLLSSQU-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@H](OC)C1 ZINC001213923858 779986719 /nfs/dbraw/zinc/98/67/19/779986719.db2.gz NIQXSHURGYLESJ-FDYHWXHSSA-N 1 1 302.371 -1.012 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1OC ZINC001213874609 779987476 /nfs/dbraw/zinc/98/74/76/779987476.db2.gz YRHYFAIMLOAAFA-GMTAPVOTSA-N 1 1 323.415 -1.614 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1cn(C)nn1 ZINC001213995053 779988335 /nfs/dbraw/zinc/98/83/35/779988335.db2.gz NUQHZTKBKFWIPA-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001214061102 779988451 /nfs/dbraw/zinc/98/84/51/779988451.db2.gz NKROBJNBDPABMS-WCABBAIRSA-N 1 1 309.374 -1.156 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1C ZINC001214120527 779990043 /nfs/dbraw/zinc/99/00/43/779990043.db2.gz HRGPGSCRZLWBAZ-NXEZZACHSA-N 1 1 323.401 -1.018 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214508280 779996071 /nfs/dbraw/zinc/99/60/71/779996071.db2.gz IJQXTSFKDKFIJD-HRDYMLBCSA-N 1 1 310.362 -1.797 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001215288517 780005310 /nfs/dbraw/zinc/00/53/10/780005310.db2.gz YMEHRDZFGODUQS-VXNVDRBHSA-N 1 1 323.357 -1.381 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001216721122 780014844 /nfs/dbraw/zinc/01/48/44/780014844.db2.gz GOZDJUQCGJYSDG-MWLCHTKSSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001216715460 780015088 /nfs/dbraw/zinc/01/50/88/780015088.db2.gz CVHFIUNGHKGRSR-RKDXNWHRSA-N 1 1 310.362 -1.795 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001217206660 780017954 /nfs/dbraw/zinc/01/79/54/780017954.db2.gz LVCRPJRNNUWYCJ-UONOGXRCSA-N 1 1 321.381 -1.069 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001217206660 780017963 /nfs/dbraw/zinc/01/79/63/780017963.db2.gz LVCRPJRNNUWYCJ-UONOGXRCSA-N 1 1 321.381 -1.069 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152308 780018511 /nfs/dbraw/zinc/01/85/11/780018511.db2.gz DUECSZAUGMEZTK-MELADBBJSA-N 1 1 302.371 -1.058 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001217206847 780018771 /nfs/dbraw/zinc/01/87/71/780018771.db2.gz TUJYSYNYPGRCMH-QWHCGFSZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001217206847 780018777 /nfs/dbraw/zinc/01/87/77/780018777.db2.gz TUJYSYNYPGRCMH-QWHCGFSZSA-N 1 1 322.369 -1.674 20 0 DAADMO COCCCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217264695 780019582 /nfs/dbraw/zinc/01/95/82/780019582.db2.gz AUTPFGGGHRJUQF-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270864 780019665 /nfs/dbraw/zinc/01/96/65/780019665.db2.gz VLIYYYYVANXZLW-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217271098 780019933 /nfs/dbraw/zinc/01/99/33/780019933.db2.gz XMLJAFFCIPUNCW-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217269771 780020400 /nfs/dbraw/zinc/02/04/00/780020400.db2.gz AZAHVCHEBSZNDD-OUAUKWLOSA-N 1 1 300.359 -1.399 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217275476 780020716 /nfs/dbraw/zinc/02/07/16/780020716.db2.gz ILNSRZLAIXBCDC-KXUCPTDWSA-N 1 1 311.342 -2.545 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217275476 780020726 /nfs/dbraw/zinc/02/07/26/780020726.db2.gz ILNSRZLAIXBCDC-KXUCPTDWSA-N 1 1 311.342 -2.545 20 0 DAADMO COC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001217394062 780022526 /nfs/dbraw/zinc/02/25/26/780022526.db2.gz QXEZGHVNKIGEFG-OUAUKWLOSA-N 1 1 301.343 -1.365 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217336835 780022558 /nfs/dbraw/zinc/02/25/58/780022558.db2.gz BDINREOIFZGBAI-FRRDWIJNSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217336835 780022567 /nfs/dbraw/zinc/02/25/67/780022567.db2.gz BDINREOIFZGBAI-FRRDWIJNSA-N 1 1 324.381 -1.735 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OC)[C@H]2C1 ZINC001217408901 780022693 /nfs/dbraw/zinc/02/26/93/780022693.db2.gz QGUOYXCTESGPCO-FVCCEPFGSA-N 1 1 302.371 -1.060 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217705419 780023965 /nfs/dbraw/zinc/02/39/65/780023965.db2.gz VTVHCWUGJMIWQF-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217705419 780023975 /nfs/dbraw/zinc/02/39/75/780023975.db2.gz VTVHCWUGJMIWQF-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001217720502 780024447 /nfs/dbraw/zinc/02/44/47/780024447.db2.gz PVBGQPJUQNVGDK-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001217914670 780026301 /nfs/dbraw/zinc/02/63/01/780026301.db2.gz ARYBKUPZXYWAJV-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CCNS(C)(=O)=O)[C@H]2C1 ZINC001218048123 780026317 /nfs/dbraw/zinc/02/63/17/780026317.db2.gz CLMGQRDJHRHFJF-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)NC(N)=O ZINC001217894462 780026347 /nfs/dbraw/zinc/02/63/47/780026347.db2.gz DZTZIGXVQJWNQC-GARJFASQSA-N 1 1 300.359 -1.663 20 0 DAADMO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)NC(N)=O ZINC001217894462 780026349 /nfs/dbraw/zinc/02/63/49/780026349.db2.gz DZTZIGXVQJWNQC-GARJFASQSA-N 1 1 300.359 -1.663 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217770183 780026375 /nfs/dbraw/zinc/02/63/75/780026375.db2.gz DGJKDPNHJLSHKE-BFHYXJOUSA-N 1 1 316.398 -1.076 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217770183 780026377 /nfs/dbraw/zinc/02/63/77/780026377.db2.gz DGJKDPNHJLSHKE-BFHYXJOUSA-N 1 1 316.398 -1.076 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)S(C)(=O)=O ZINC001218048219 780026421 /nfs/dbraw/zinc/02/64/21/780026421.db2.gz FDBPZRVOIZVSAB-WDEREUQCSA-N 1 1 321.399 -2.218 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)S(C)(=O)=O ZINC001218048219 780026426 /nfs/dbraw/zinc/02/64/26/780026426.db2.gz FDBPZRVOIZVSAB-WDEREUQCSA-N 1 1 321.399 -2.218 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218048783 780026911 /nfs/dbraw/zinc/02/69/11/780026911.db2.gz KLYQDKBWINLFRN-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218048783 780026918 /nfs/dbraw/zinc/02/69/18/780026918.db2.gz KLYQDKBWINLFRN-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)NC(N)=O ZINC001217896282 780027333 /nfs/dbraw/zinc/02/73/33/780027333.db2.gz YBPMVNHCQGORIF-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001217794148 780027717 /nfs/dbraw/zinc/02/77/17/780027717.db2.gz CXIGSMPJORVKFB-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218220698 780028341 /nfs/dbraw/zinc/02/83/41/780028341.db2.gz YBUDOPABAYLZQS-DTWKUNHWSA-N 1 1 307.297 -1.728 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218220698 780028347 /nfs/dbraw/zinc/02/83/47/780028347.db2.gz YBUDOPABAYLZQS-DTWKUNHWSA-N 1 1 307.297 -1.728 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218242896 780028797 /nfs/dbraw/zinc/02/87/97/780028797.db2.gz UAZZRROANLYPDS-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218242896 780028803 /nfs/dbraw/zinc/02/88/03/780028803.db2.gz UAZZRROANLYPDS-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001218075464 780029381 /nfs/dbraw/zinc/02/93/81/780029381.db2.gz FIYKNBPQFCPQJK-WDEREUQCSA-N 1 1 300.359 -1.527 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)COC)C[C@@H]21 ZINC001218065853 780029491 /nfs/dbraw/zinc/02/94/91/780029491.db2.gz JRXJDEFANLLQEN-SDDRHHMPSA-N 1 1 314.386 -1.138 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)NC)[C@H]2C1 ZINC001218075753 780029509 /nfs/dbraw/zinc/02/95/09/780029509.db2.gz SZRGWZLMEACAKQ-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC(=O)NCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218066110 780029892 /nfs/dbraw/zinc/02/98/92/780029892.db2.gz NKFLISPANSEASM-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218066110 780029899 /nfs/dbraw/zinc/02/98/99/780029899.db2.gz NKFLISPANSEASM-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]nc2nccnc21 ZINC001218568113 780032761 /nfs/dbraw/zinc/03/27/61/780032761.db2.gz MPDYWCDIDSKYAJ-VIFPVBQESA-N 1 1 304.358 -1.007 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1n[nH]c2nccnc12 ZINC001218567067 780033839 /nfs/dbraw/zinc/03/38/39/780033839.db2.gz AFXIFCPEYZHCLW-UHFFFAOYSA-N 1 1 313.343 -1.488 20 0 DAADMO Cc1noc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218551041 780033916 /nfs/dbraw/zinc/03/39/16/780033916.db2.gz AJQVCWJXWRSZCJ-VIFPVBQESA-N 1 1 310.358 -1.229 20 0 DAADMO Nc1c(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(=O)c1=O ZINC001218588235 780035027 /nfs/dbraw/zinc/03/50/27/780035027.db2.gz QPEAYLGERSHCKS-VIFPVBQESA-N 1 1 316.317 -1.511 20 0 DAADMO COC(=O)Cn1cc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001218612356 780037797 /nfs/dbraw/zinc/03/77/97/780037797.db2.gz SKRNICGOPCVGLG-LBPRGKRZSA-N 1 1 324.385 -1.255 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]2C1 ZINC001218704063 780039626 /nfs/dbraw/zinc/03/96/26/780039626.db2.gz VCHDZGKAQSWAKF-WDEREUQCSA-N 1 1 320.415 -1.686 20 0 DAADMO Cc1cnn(CCO)c1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218750586 780041164 /nfs/dbraw/zinc/04/11/64/780041164.db2.gz TUGUGDAZGNCABV-LBPRGKRZSA-N 1 1 310.402 -1.127 20 0 DAADMO Cc1cnn(CCO)c1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218750584 780041746 /nfs/dbraw/zinc/04/17/46/780041746.db2.gz TUGUGDAZGNCABV-GFCCVEGCSA-N 1 1 310.402 -1.127 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC3CC3)[C@H]2C1 ZINC001218865817 780043548 /nfs/dbraw/zinc/04/35/48/780043548.db2.gz CVXCREYSIFAFRM-KGYLQXTDSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC3CC3)[C@H]2C1 ZINC001218865817 780043556 /nfs/dbraw/zinc/04/35/56/780043556.db2.gz CVXCREYSIFAFRM-KGYLQXTDSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218809216 780044048 /nfs/dbraw/zinc/04/40/48/780044048.db2.gz HZCJOTUOVSRECS-NWDGAFQWSA-N 1 1 312.326 -1.396 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218809216 780044055 /nfs/dbraw/zinc/04/40/55/780044055.db2.gz HZCJOTUOVSRECS-NWDGAFQWSA-N 1 1 312.326 -1.396 20 0 DAADMO O=C(CNC(=O)c1ccco1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219017975 780044795 /nfs/dbraw/zinc/04/47/95/780044795.db2.gz MPRDLPUAVNPNMX-WCQYABFASA-N 1 1 323.349 -1.087 20 0 DAADMO O=C(CNC(=O)c1ccco1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219017975 780044802 /nfs/dbraw/zinc/04/48/02/780044802.db2.gz MPRDLPUAVNPNMX-WCQYABFASA-N 1 1 323.349 -1.087 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219027026 780044970 /nfs/dbraw/zinc/04/49/70/780044970.db2.gz ZSHWZZBCBOIFOH-GRYCIOLGSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029949 780046317 /nfs/dbraw/zinc/04/63/17/780046317.db2.gz VSLAQUFGINXMCP-CABZTGNLSA-N 1 1 322.365 -1.069 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219087564 780048669 /nfs/dbraw/zinc/04/86/69/780048669.db2.gz LAWCRSDJUXQXSQ-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219095088 780051239 /nfs/dbraw/zinc/05/12/39/780051239.db2.gz HPRHOGBMYCHCNY-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219110757 780052726 /nfs/dbraw/zinc/05/27/26/780052726.db2.gz XMDWRWOQULCVLY-KGLIPLIRSA-N 1 1 323.397 -1.203 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219123290 780054362 /nfs/dbraw/zinc/05/43/62/780054362.db2.gz YXMFNTLIWXEGOY-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219123290 780054373 /nfs/dbraw/zinc/05/43/73/780054373.db2.gz YXMFNTLIWXEGOY-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO CC(C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219124773 780054694 /nfs/dbraw/zinc/05/46/94/780054694.db2.gz BIZCIEVKYYJMJU-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219124773 780054700 /nfs/dbraw/zinc/05/47/00/780054700.db2.gz BIZCIEVKYYJMJU-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219151924 780057358 /nfs/dbraw/zinc/05/73/58/780057358.db2.gz UGZPETUBOYDHLC-GDLCADMTSA-N 1 1 323.397 -1.352 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219151736 780057380 /nfs/dbraw/zinc/05/73/80/780057380.db2.gz QOSMNALIOFZBJF-WCQGTBRESA-N 1 1 303.359 -2.319 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219151736 780057387 /nfs/dbraw/zinc/05/73/87/780057387.db2.gz QOSMNALIOFZBJF-WCQGTBRESA-N 1 1 303.359 -2.319 20 0 DAADMO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1)C1CC1 ZINC001219158688 780059578 /nfs/dbraw/zinc/05/95/78/780059578.db2.gz MGFQMYVZKHEBQY-FRRDWIJNSA-N 1 1 324.385 -1.351 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219168643 780060688 /nfs/dbraw/zinc/06/06/88/780060688.db2.gz KERXRXVYXJCCML-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168733 780061728 /nfs/dbraw/zinc/06/17/28/780061728.db2.gz LRKBJOPXVXZHIF-MNOVXSKESA-N 1 1 302.375 -1.511 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219168358 780061880 /nfs/dbraw/zinc/06/18/80/780061880.db2.gz AKJPFGVVNZQXEB-BBBLOLIVSA-N 1 1 323.357 -2.405 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219168899 780062790 /nfs/dbraw/zinc/06/27/90/780062790.db2.gz QLDASPMAQLDNDL-VGMNWLOBSA-N 1 1 322.312 -1.760 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219168899 780062802 /nfs/dbraw/zinc/06/28/02/780062802.db2.gz QLDASPMAQLDNDL-VGMNWLOBSA-N 1 1 322.312 -1.760 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)n1 ZINC001219168911 780063100 /nfs/dbraw/zinc/06/31/00/780063100.db2.gz QPXNYHJTPMJYMG-NEPJUHHUSA-N 1 1 324.385 -1.670 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001219168836 780063266 /nfs/dbraw/zinc/06/32/66/780063266.db2.gz OANTUXGUUGKZIM-TUAOUCFPSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219169088 780063661 /nfs/dbraw/zinc/06/36/61/780063661.db2.gz VUZXAXLAAFIGPU-MXWKQRLJSA-N 1 1 300.359 -1.757 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001219208326 780066049 /nfs/dbraw/zinc/06/60/49/780066049.db2.gz NRLBSDIFIUDYQT-OLZOCXBDSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001219208326 780066062 /nfs/dbraw/zinc/06/60/62/780066062.db2.gz NRLBSDIFIUDYQT-OLZOCXBDSA-N 1 1 312.370 -1.244 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001219212051 780066846 /nfs/dbraw/zinc/06/68/46/780066846.db2.gz JLBNCJVEHLRJFQ-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)[nH]n1 ZINC001219208592 780066917 /nfs/dbraw/zinc/06/69/17/780066917.db2.gz QBXTYUHEQZFNGM-RTXFEEFZSA-N 1 1 312.370 -1.246 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)n1cccn1 ZINC001219216388 780067971 /nfs/dbraw/zinc/06/79/71/780067971.db2.gz KMFJONOPGUTVEF-UPJWGTAASA-N 1 1 312.370 -1.386 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)n1cccn1 ZINC001219216388 780067980 /nfs/dbraw/zinc/06/79/80/780067980.db2.gz KMFJONOPGUTVEF-UPJWGTAASA-N 1 1 312.370 -1.386 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219222062 780068379 /nfs/dbraw/zinc/06/83/79/780068379.db2.gz SUEKGIVSNFUWBB-OLZOCXBDSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219222062 780068382 /nfs/dbraw/zinc/06/83/82/780068382.db2.gz SUEKGIVSNFUWBB-OLZOCXBDSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219221879 780068530 /nfs/dbraw/zinc/06/85/30/780068530.db2.gz LUBPOHXNKUMZMZ-TUAOUCFPSA-N 1 1 303.359 -2.367 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219248035 780071666 /nfs/dbraw/zinc/07/16/66/780071666.db2.gz HHEHBJBGQPCVMD-QNSHHTMESA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219248035 780071675 /nfs/dbraw/zinc/07/16/75/780071675.db2.gz HHEHBJBGQPCVMD-QNSHHTMESA-N 1 1 302.356 -1.680 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219248511 780071887 /nfs/dbraw/zinc/07/18/87/780071887.db2.gz XIBCDIPKRSGPLN-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219261292 780072611 /nfs/dbraw/zinc/07/26/11/780072611.db2.gz AUPIWEOLEUAZRS-MNOVXSKESA-N 1 1 311.342 -1.600 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219259494 780072712 /nfs/dbraw/zinc/07/27/12/780072712.db2.gz JALZKYXQHQEXNG-NEPJUHHUSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219259494 780072722 /nfs/dbraw/zinc/07/27/22/780072722.db2.gz JALZKYXQHQEXNG-NEPJUHHUSA-N 1 1 322.369 -2.034 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001219269359 780073706 /nfs/dbraw/zinc/07/37/06/780073706.db2.gz GKAXCXVLDSHQQE-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001219269359 780073715 /nfs/dbraw/zinc/07/37/15/780073715.db2.gz GKAXCXVLDSHQQE-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219257855 780074124 /nfs/dbraw/zinc/07/41/24/780074124.db2.gz XGWGSOWIPCEAPQ-NEPJUHHUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219257855 780074129 /nfs/dbraw/zinc/07/41/29/780074129.db2.gz XGWGSOWIPCEAPQ-NEPJUHHUSA-N 1 1 315.370 -2.317 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001219274680 780074738 /nfs/dbraw/zinc/07/47/38/780074738.db2.gz CMTYKEBOPXFDEM-TUAOUCFPSA-N 1 1 315.370 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001219271221 780074957 /nfs/dbraw/zinc/07/49/57/780074957.db2.gz PMCOCLNTQLHKID-UTUOFQBUSA-N 1 1 315.370 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219274681 780075368 /nfs/dbraw/zinc/07/53/68/780075368.db2.gz CMTYKEBOPXFDEM-UTUOFQBUSA-N 1 1 315.370 -1.070 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1)OC ZINC001219274781 780075749 /nfs/dbraw/zinc/07/57/49/780075749.db2.gz HUXAYVAZECDEEH-MXWKQRLJSA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001219272533 780075888 /nfs/dbraw/zinc/07/58/88/780075888.db2.gz MVCQEWQITQOKOR-UHTWSYAYSA-N 1 1 312.370 -1.489 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219293051 780076958 /nfs/dbraw/zinc/07/69/58/780076958.db2.gz HOSDRSYOIMOQOP-UTUOFQBUSA-N 1 1 317.386 -1.929 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219292958 780077313 /nfs/dbraw/zinc/07/73/13/780077313.db2.gz CIYSCZCURPRIIF-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219292958 780077320 /nfs/dbraw/zinc/07/73/20/780077320.db2.gz CIYSCZCURPRIIF-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CCO[C@H](CC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219303906 780078553 /nfs/dbraw/zinc/07/85/53/780078553.db2.gz CFNHYIKDJZWWLU-FRRDWIJNSA-N 1 1 304.387 -1.028 20 0 DAADMO CCO[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219303906 780078559 /nfs/dbraw/zinc/07/85/59/780078559.db2.gz CFNHYIKDJZWWLU-FRRDWIJNSA-N 1 1 304.387 -1.028 20 0 DAADMO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219303905 780078702 /nfs/dbraw/zinc/07/87/02/780078702.db2.gz CFNHYIKDJZWWLU-AGIUHOORSA-N 1 1 304.387 -1.028 20 0 DAADMO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219303905 780078711 /nfs/dbraw/zinc/07/87/11/780078711.db2.gz CFNHYIKDJZWWLU-AGIUHOORSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219326024 780079635 /nfs/dbraw/zinc/07/96/35/780079635.db2.gz IRCJHDDWXPMXDD-XQQFMLRXSA-N 1 1 312.370 -1.869 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219312893 780079940 /nfs/dbraw/zinc/07/99/40/780079940.db2.gz QPMYFBGLQWAXCF-XQQFMLRXSA-N 1 1 302.371 -1.153 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC001219312893 780079941 /nfs/dbraw/zinc/07/99/41/780079941.db2.gz QPMYFBGLQWAXCF-XQQFMLRXSA-N 1 1 302.371 -1.153 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219330007 780081983 /nfs/dbraw/zinc/08/19/83/780081983.db2.gz BBCFSIWJFMOHHC-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219330007 780081987 /nfs/dbraw/zinc/08/19/87/780081987.db2.gz BBCFSIWJFMOHHC-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219347743 780082736 /nfs/dbraw/zinc/08/27/36/780082736.db2.gz QXCXHFZIZHHPQP-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219358004 780083215 /nfs/dbraw/zinc/08/32/15/780083215.db2.gz STVWZWPVZDSNDR-BBBLOLIVSA-N 1 1 313.358 -2.563 20 0 DAADMO COCCOCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358096 780084027 /nfs/dbraw/zinc/08/40/27/780084027.db2.gz WZYWFRJOYOSOAS-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219375922 780085649 /nfs/dbraw/zinc/08/56/49/780085649.db2.gz HHDCPTCWRWVKLH-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219371613 780085796 /nfs/dbraw/zinc/08/57/96/780085796.db2.gz XOJNKCVXMPYQFI-AGIUHOORSA-N 1 1 312.414 -1.234 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001219385235 780089105 /nfs/dbraw/zinc/08/91/05/780089105.db2.gz HEJJSSNFCQJOOB-OLZOCXBDSA-N 1 1 320.386 -1.526 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001219385235 780089112 /nfs/dbraw/zinc/08/91/12/780089112.db2.gz HEJJSSNFCQJOOB-OLZOCXBDSA-N 1 1 320.386 -1.526 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](O)C1 ZINC001219394478 780089328 /nfs/dbraw/zinc/08/93/28/780089328.db2.gz FMZHLQAQTGQSAU-TUAOUCFPSA-N 1 1 312.370 -1.191 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219387679 780089870 /nfs/dbraw/zinc/08/98/70/780089870.db2.gz LUWIXXYFSFGWNO-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219387679 780089874 /nfs/dbraw/zinc/08/98/74/780089874.db2.gz LUWIXXYFSFGWNO-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219387493 780090155 /nfs/dbraw/zinc/09/01/55/780090155.db2.gz FSQYANFMZYNRMZ-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219385239 780090296 /nfs/dbraw/zinc/09/02/96/780090296.db2.gz HLHHEQNZERAYCQ-TUAOUCFPSA-N 1 1 306.359 -2.182 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001219407978 780092461 /nfs/dbraw/zinc/09/24/61/780092461.db2.gz NNFLOYGAEMQRAJ-AXFHLTTASA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001219407978 780092466 /nfs/dbraw/zinc/09/24/66/780092466.db2.gz NNFLOYGAEMQRAJ-AXFHLTTASA-N 1 1 313.358 -2.094 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411392 780093655 /nfs/dbraw/zinc/09/36/55/780093655.db2.gz HMVVSPXLDMWTDW-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)nnn1C ZINC001219408079 780093949 /nfs/dbraw/zinc/09/39/49/780093949.db2.gz PCBXPUGLYDINCE-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)nnn1C ZINC001219408079 780093952 /nfs/dbraw/zinc/09/39/52/780093952.db2.gz PCBXPUGLYDINCE-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219412704 780094084 /nfs/dbraw/zinc/09/40/84/780094084.db2.gz CKLUBWSHZAHLDN-BBBLOLIVSA-N 1 1 308.342 -2.198 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413685 780094788 /nfs/dbraw/zinc/09/47/88/780094788.db2.gz ZUMGJFXZIQWMML-BBBLOLIVSA-N 1 1 300.359 -1.933 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413685 780094796 /nfs/dbraw/zinc/09/47/96/780094796.db2.gz ZUMGJFXZIQWMML-BBBLOLIVSA-N 1 1 300.359 -1.933 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219413879 780095121 /nfs/dbraw/zinc/09/51/21/780095121.db2.gz JCJYZJLPEDLCFL-HZSPNIEDSA-N 1 1 315.414 -1.097 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413686 780095422 /nfs/dbraw/zinc/09/54/22/780095422.db2.gz ZUMGJFXZIQWMML-UTLUCORTSA-N 1 1 300.359 -1.933 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413686 780095429 /nfs/dbraw/zinc/09/54/29/780095429.db2.gz ZUMGJFXZIQWMML-UTLUCORTSA-N 1 1 300.359 -1.933 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219413664 780095570 /nfs/dbraw/zinc/09/55/70/780095570.db2.gz ZGJKCJPJHZPOIS-AXFHLTTASA-N 1 1 312.370 -2.061 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219438592 780097163 /nfs/dbraw/zinc/09/71/63/780097163.db2.gz TYABGAWKWNLPFH-OLZOCXBDSA-N 1 1 323.397 -1.100 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219458097 780099038 /nfs/dbraw/zinc/09/90/38/780099038.db2.gz PNRRQBBCTYVBIM-TUAOUCFPSA-N 1 1 316.354 -1.890 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219441164 780099245 /nfs/dbraw/zinc/09/92/45/780099245.db2.gz PFRYGMUZTWPFTC-MXWKQRLJSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219441164 780099248 /nfs/dbraw/zinc/09/92/48/780099248.db2.gz PFRYGMUZTWPFTC-MXWKQRLJSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2nc[nH]n2)[C@@H](O)C1 ZINC001219441164 780099251 /nfs/dbraw/zinc/09/92/51/780099251.db2.gz PFRYGMUZTWPFTC-MXWKQRLJSA-N 1 1 313.358 -2.094 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472382 780100144 /nfs/dbraw/zinc/10/01/44/780100144.db2.gz LAEVNOANDKUYPX-RDBSUJKOSA-N 1 1 315.414 -1.097 20 0 DAADMO O=C(Cc1cccnc1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219465976 780100265 /nfs/dbraw/zinc/10/02/65/780100265.db2.gz UNJBACVICNOUCR-KGLIPLIRSA-N 1 1 309.366 -1.206 20 0 DAADMO O=C(Cc1cccnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219465976 780100275 /nfs/dbraw/zinc/10/02/75/780100275.db2.gz UNJBACVICNOUCR-KGLIPLIRSA-N 1 1 309.366 -1.206 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219465697 780100532 /nfs/dbraw/zinc/10/05/32/780100532.db2.gz MZRPHCXHGRPKRL-MJBXVCDLSA-N 1 1 309.366 -1.207 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219472637 780100613 /nfs/dbraw/zinc/10/06/13/780100613.db2.gz PALCWZHAGHJGNE-UPJWGTAASA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219472637 780100617 /nfs/dbraw/zinc/10/06/17/780100617.db2.gz PALCWZHAGHJGNE-UPJWGTAASA-N 1 1 317.386 -2.513 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219471994 780100716 /nfs/dbraw/zinc/10/07/16/780100716.db2.gz AWLKDXSDKHUHLY-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219480254 780101480 /nfs/dbraw/zinc/10/14/80/780101480.db2.gz PGVHFVWNQQCEOQ-IPYPFGDCSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219480254 780101488 /nfs/dbraw/zinc/10/14/88/780101488.db2.gz PGVHFVWNQQCEOQ-IPYPFGDCSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478042 780101986 /nfs/dbraw/zinc/10/19/86/780101986.db2.gz JXNBCTGTRQPTNX-AXFHLTTASA-N 1 1 313.358 -1.694 20 0 DAADMO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219477957 780102188 /nfs/dbraw/zinc/10/21/88/780102188.db2.gz HBYCQXOUGWJSSB-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219477957 780102190 /nfs/dbraw/zinc/10/21/90/780102190.db2.gz HBYCQXOUGWJSSB-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219477901 780102209 /nfs/dbraw/zinc/10/22/09/780102209.db2.gz FOMMVEGDNXDTAH-ZJUUUORDSA-N 1 1 315.330 -2.846 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219477901 780102211 /nfs/dbraw/zinc/10/22/11/780102211.db2.gz FOMMVEGDNXDTAH-ZJUUUORDSA-N 1 1 315.330 -2.846 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219505554 780106388 /nfs/dbraw/zinc/10/63/88/780106388.db2.gz CHBXVZIUXPBTRB-NEPJUHHUSA-N 1 1 309.370 -1.740 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219506082 780106468 /nfs/dbraw/zinc/10/64/68/780106468.db2.gz ZDIHXJSZXVKEGW-MNOVXSKESA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219506082 780106473 /nfs/dbraw/zinc/10/64/73/780106473.db2.gz ZDIHXJSZXVKEGW-MNOVXSKESA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219510562 780107693 /nfs/dbraw/zinc/10/76/93/780107693.db2.gz VFHAMIJGXKTRIZ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219510562 780107697 /nfs/dbraw/zinc/10/76/97/780107697.db2.gz VFHAMIJGXKTRIZ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C2)cn1 ZINC001219510496 780108048 /nfs/dbraw/zinc/10/80/48/780108048.db2.gz RAJVKXDKHXBIIL-OLZOCXBDSA-N 1 1 323.397 -1.257 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219511237 780108987 /nfs/dbraw/zinc/10/89/87/780108987.db2.gz LTSFKAWDIKKERY-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219511237 780108991 /nfs/dbraw/zinc/10/89/91/780108991.db2.gz LTSFKAWDIKKERY-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 ZINC001219513410 780109366 /nfs/dbraw/zinc/10/93/66/780109366.db2.gz RSPYWJFXWVNUPX-XQQFMLRXSA-N 1 1 310.354 -1.433 20 0 DAADMO O=C(CC1OCCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219511551 780109649 /nfs/dbraw/zinc/10/96/49/780109649.db2.gz QHMBIIRLZYRHJM-NEPJUHHUSA-N 1 1 318.370 -1.690 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219524965 780110996 /nfs/dbraw/zinc/11/09/96/780110996.db2.gz KEAYFIMVXZCZHB-UTUOFQBUSA-N 1 1 313.358 -2.163 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219521300 780111324 /nfs/dbraw/zinc/11/13/24/780111324.db2.gz DDWVVUKPQDVOJZ-AXFHLTTASA-N 1 1 310.358 -1.899 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219521300 780111329 /nfs/dbraw/zinc/11/13/29/780111329.db2.gz DDWVVUKPQDVOJZ-AXFHLTTASA-N 1 1 310.358 -1.899 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219523388 780111617 /nfs/dbraw/zinc/11/16/17/780111617.db2.gz FVCSIZQZYXTEPQ-UPJWGTAASA-N 1 1 310.354 -1.812 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001219541139 780112923 /nfs/dbraw/zinc/11/29/23/780112923.db2.gz DFYVAQFBWBVXSX-PWSUYJOCSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001219541139 780112927 /nfs/dbraw/zinc/11/29/27/780112927.db2.gz DFYVAQFBWBVXSX-PWSUYJOCSA-N 1 1 313.358 -1.747 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001219544058 780113831 /nfs/dbraw/zinc/11/38/31/780113831.db2.gz YOWJOQFBRYZUPZ-UTUOFQBUSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001219544057 780114348 /nfs/dbraw/zinc/11/43/48/780114348.db2.gz YOWJOQFBRYZUPZ-TUAOUCFPSA-N 1 1 312.370 -1.489 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547051 780114478 /nfs/dbraw/zinc/11/44/78/780114478.db2.gz MTAIWROGOHRRKP-UTUOFQBUSA-N 1 1 315.370 -1.071 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547051 780114486 /nfs/dbraw/zinc/11/44/86/780114486.db2.gz MTAIWROGOHRRKP-UTUOFQBUSA-N 1 1 315.370 -1.071 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547453 780114664 /nfs/dbraw/zinc/11/46/64/780114664.db2.gz SKBGFDWSYJNVQX-VWYCJHECSA-N 1 1 301.343 -1.317 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)o1 ZINC001219558654 780117383 /nfs/dbraw/zinc/11/73/83/780117383.db2.gz XFGZPLLGTKHHNR-MNOVXSKESA-N 1 1 314.342 -1.909 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)o1 ZINC001219558654 780117386 /nfs/dbraw/zinc/11/73/86/780117386.db2.gz XFGZPLLGTKHHNR-MNOVXSKESA-N 1 1 314.342 -1.909 20 0 DAADMO COc1ccc(C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1 ZINC001219559829 780117600 /nfs/dbraw/zinc/11/76/00/780117600.db2.gz JZOUWCKMVDXYNL-CABZTGNLSA-N 1 1 323.349 -1.182 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219571538 780118754 /nfs/dbraw/zinc/11/87/54/780118754.db2.gz UZPHPXOVACJJBV-AXFHLTTASA-N 1 1 318.374 -2.526 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1)OC ZINC001219570974 780119035 /nfs/dbraw/zinc/11/90/35/780119035.db2.gz DVKCEKBQALMSRL-UTUOFQBUSA-N 1 1 316.402 -1.108 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593361 780120810 /nfs/dbraw/zinc/12/08/10/780120810.db2.gz OHIPAAHIEFNNOK-TUAOUCFPSA-N 1 1 302.371 -1.540 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001219585874 780121146 /nfs/dbraw/zinc/12/11/46/780121146.db2.gz WZVBCHUOGJHGGF-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001219585874 780121151 /nfs/dbraw/zinc/12/11/51/780121151.db2.gz WZVBCHUOGJHGGF-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219594477 780122063 /nfs/dbraw/zinc/12/20/63/780122063.db2.gz NCYJBSLNZQOJOI-NEPJUHHUSA-N 1 1 309.370 -1.256 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219594477 780122068 /nfs/dbraw/zinc/12/20/68/780122068.db2.gz NCYJBSLNZQOJOI-NEPJUHHUSA-N 1 1 309.370 -1.256 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219617273 780124782 /nfs/dbraw/zinc/12/47/82/780124782.db2.gz JJUSDVPYPNTDSJ-IYYTYJHQSA-N 1 1 300.334 -2.357 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219617762 780125092 /nfs/dbraw/zinc/12/50/92/780125092.db2.gz ZIJGRMBMMMMRLZ-MJBXVCDLSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219615884 780125757 /nfs/dbraw/zinc/12/57/57/780125757.db2.gz HMDQSNZEOSEFDZ-SCDSUCTJSA-N 1 1 311.361 -1.219 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)NC(N)=O ZINC001219627276 780126824 /nfs/dbraw/zinc/12/68/24/780126824.db2.gz VBAVLZRZWPBIEZ-TUAOUCFPSA-N 1 1 324.385 -1.509 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)NC(N)=O ZINC001219621030 780126854 /nfs/dbraw/zinc/12/68/54/780126854.db2.gz UYJHFBSVIWAUSO-AXFHLTTASA-N 1 1 318.374 -2.397 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219625707 780126944 /nfs/dbraw/zinc/12/69/44/780126944.db2.gz XVZJZUDYRXSDGN-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CCNC[C@@H]1F)[C@H]1CCC[NH2+]C1 ZINC001219619386 780127055 /nfs/dbraw/zinc/12/70/55/780127055.db2.gz GLXIKQGUWSIMRO-SGMGOOAPSA-N 1 1 302.394 -1.151 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219625292 780127131 /nfs/dbraw/zinc/12/71/31/780127131.db2.gz IYKZZHIDMDWPLS-MCIONIFRSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219625292 780127134 /nfs/dbraw/zinc/12/71/34/780127134.db2.gz IYKZZHIDMDWPLS-MCIONIFRSA-N 1 1 324.381 -1.150 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219621042 780127277 /nfs/dbraw/zinc/12/72/77/780127277.db2.gz VMRPUTZXIHDPJB-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621567 780127468 /nfs/dbraw/zinc/12/74/68/780127468.db2.gz CTFAEMRXSMCNHX-MRBYEJRBSA-N 1 1 303.334 -1.684 20 0 DAADMO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621566 780127483 /nfs/dbraw/zinc/12/74/83/780127483.db2.gz CTFAEMRXSMCNHX-MPPDQPJWSA-N 1 1 303.334 -1.684 20 0 DAADMO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1)C1CC1 ZINC001219637507 780128350 /nfs/dbraw/zinc/12/83/50/780128350.db2.gz GMRNTQVTWSWPHG-FRRDWIJNSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001219662106 780128362 /nfs/dbraw/zinc/12/83/62/780128362.db2.gz ADYGXTWTQQORHM-OPDFLTKYSA-N 1 1 300.355 -1.807 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001219662106 780128367 /nfs/dbraw/zinc/12/83/67/780128367.db2.gz ADYGXTWTQQORHM-OPDFLTKYSA-N 1 1 300.355 -1.807 20 0 DAADMO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1)C1CC1 ZINC001219637506 780128781 /nfs/dbraw/zinc/12/87/81/780128781.db2.gz GMRNTQVTWSWPHG-AGIUHOORSA-N 1 1 324.385 -1.351 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001219660847 780129039 /nfs/dbraw/zinc/12/90/39/780129039.db2.gz LHJOJUQVDXVWAC-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)[C@@H](O)C1 ZINC001219672091 780130688 /nfs/dbraw/zinc/13/06/88/780130688.db2.gz DRWIQKCUZJOETJ-AXFHLTTASA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219675197 780130800 /nfs/dbraw/zinc/13/08/00/780130800.db2.gz RFVUFFAWTYDCDH-NEPJUHHUSA-N 1 1 308.338 -2.035 20 0 DAADMO Nc1c[nH]nc1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219680399 780133900 /nfs/dbraw/zinc/13/39/00/780133900.db2.gz GOHWZXQWUQYTOF-UHFFFAOYSA-N 1 1 302.360 -2.043 20 0 DAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CNC(=O)N1 ZINC001219678456 780134138 /nfs/dbraw/zinc/13/41/38/780134138.db2.gz OTEKNELPMNIKGY-QMMMGPOBSA-N 1 1 305.360 -2.981 20 0 DAADMO Nc1cc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)ccn1 ZINC001219680526 780134468 /nfs/dbraw/zinc/13/44/68/780134468.db2.gz LSEFQAOLEQBCPP-UHFFFAOYSA-N 1 1 313.383 -1.371 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705076 780136719 /nfs/dbraw/zinc/13/67/19/780136719.db2.gz SIVWXCWCDPQLJE-WOPDTQHZSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705076 780136724 /nfs/dbraw/zinc/13/67/24/780136724.db2.gz SIVWXCWCDPQLJE-WOPDTQHZSA-N 1 1 324.385 -1.517 20 0 DAADMO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001219718161 780137639 /nfs/dbraw/zinc/13/76/39/780137639.db2.gz IHDUUAXJEGWFCF-CBAPKCEASA-N 1 1 319.321 -1.314 20 0 DAADMO O=C(CCc1ccncn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219717208 780137724 /nfs/dbraw/zinc/13/77/24/780137724.db2.gz QTVJDFSDABYQSF-KGLIPLIRSA-N 1 1 324.381 -1.421 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720699 780138025 /nfs/dbraw/zinc/13/80/25/780138025.db2.gz PITJGAOJGBEWCW-RWMBFGLXSA-N 1 1 306.366 -1.485 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219735970 780139088 /nfs/dbraw/zinc/13/90/88/780139088.db2.gz AWWBFJGPGUWVHU-MNOVXSKESA-N 1 1 305.400 -1.551 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736643 780139270 /nfs/dbraw/zinc/13/92/70/780139270.db2.gz ZEPUDXSRUDMFFH-AEJSXWLSSA-N 1 1 309.388 -2.580 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736570 780139285 /nfs/dbraw/zinc/13/92/85/780139285.db2.gz WCAIKQUFXZQKNG-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219735950 780139876 /nfs/dbraw/zinc/13/98/76/780139876.db2.gz ACVCGNAGEHKWPR-ZJUUUORDSA-N 1 1 309.388 -2.315 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219742899 780140914 /nfs/dbraw/zinc/14/09/14/780140914.db2.gz UEIGYUJIDMXGLO-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219748778 780141007 /nfs/dbraw/zinc/14/10/07/780141007.db2.gz BRLXOFQMBLQEDY-DTWKUNHWSA-N 1 1 305.342 -1.638 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742587 780141658 /nfs/dbraw/zinc/14/16/58/780141658.db2.gz KJWCZEWZGGORSR-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)[C@@H](O)C1 ZINC001219744670 780141765 /nfs/dbraw/zinc/14/17/65/780141765.db2.gz LSSIIAOHUSQNAM-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219750031 780142995 /nfs/dbraw/zinc/14/29/95/780142995.db2.gz VCSZYYHUBXHUCB-JTQLQIEISA-N 1 1 321.385 -2.282 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219752251 780143059 /nfs/dbraw/zinc/14/30/59/780143059.db2.gz XOBDRZFPSOVLGR-ZJUUUORDSA-N 1 1 311.346 -2.632 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219752251 780143064 /nfs/dbraw/zinc/14/30/64/780143064.db2.gz XOBDRZFPSOVLGR-ZJUUUORDSA-N 1 1 311.346 -2.632 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219754128 780143877 /nfs/dbraw/zinc/14/38/77/780143877.db2.gz RMMLHSYCBSNVRO-BDAKNGLRSA-N 1 1 324.328 -1.642 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219754128 780143879 /nfs/dbraw/zinc/14/38/79/780143879.db2.gz RMMLHSYCBSNVRO-BDAKNGLRSA-N 1 1 324.328 -1.642 20 0 DAADMO COC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCN1 ZINC001219764935 780144512 /nfs/dbraw/zinc/14/45/12/780144512.db2.gz PRGWGMAYIBGUMB-MQYQWHSLSA-N 1 1 324.425 -1.063 20 0 DAADMO COC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCN1 ZINC001219764935 780144514 /nfs/dbraw/zinc/14/45/14/780144514.db2.gz PRGWGMAYIBGUMB-MQYQWHSLSA-N 1 1 324.425 -1.063 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219754350 780144664 /nfs/dbraw/zinc/14/46/64/780144664.db2.gz YVYDSLGWYDLDKL-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO Nc1cccn(CC(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)c1=O ZINC001219764535 780144819 /nfs/dbraw/zinc/14/48/19/780144819.db2.gz HUPKCLUSZURPLN-NEPJUHHUSA-N 1 1 305.382 -1.160 20 0 DAADMO Nc1cccn(CC(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)c1=O ZINC001219764535 780144829 /nfs/dbraw/zinc/14/48/29/780144829.db2.gz HUPKCLUSZURPLN-NEPJUHHUSA-N 1 1 305.382 -1.160 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001219763470 780145058 /nfs/dbraw/zinc/14/50/58/780145058.db2.gz QXWXARDUFOTWNF-SUHUHFCYSA-N 1 1 324.381 -1.389 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)CC1 ZINC001219772640 780146390 /nfs/dbraw/zinc/14/63/90/780146390.db2.gz SKDUJASIPGUWJA-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802653 780147456 /nfs/dbraw/zinc/14/74/56/780147456.db2.gz YUQRVYWFUNFSSL-XQQFMLRXSA-N 1 1 315.414 -1.361 20 0 DAADMO C[C@]1(C(=O)NCc2cc(=O)n3c(n2)CNCCC3)COCC[NH2+]1 ZINC001219806414 780149367 /nfs/dbraw/zinc/14/93/67/780149367.db2.gz VOXCSFPBFGBXOW-OAHLLOKOSA-N 1 1 321.381 -1.269 20 0 DAADMO COC(=O)[C@@H](N)CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806521 780149707 /nfs/dbraw/zinc/14/97/07/780149707.db2.gz ZWCAGGDOZBJQOS-JTQLQIEISA-N 1 1 323.353 -1.757 20 0 DAADMO CC(C)C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCNC1=O ZINC001219825939 780151063 /nfs/dbraw/zinc/15/10/63/780151063.db2.gz NSRJNOOCVQZOAC-XUJVJEKNSA-N 1 1 313.398 -1.308 20 0 DAADMO CC(C)C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCNC1=O ZINC001219825939 780151068 /nfs/dbraw/zinc/15/10/68/780151068.db2.gz NSRJNOOCVQZOAC-XUJVJEKNSA-N 1 1 313.398 -1.308 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814128 780151127 /nfs/dbraw/zinc/15/11/27/780151127.db2.gz UCOGAIJTRUJWFX-MJBXVCDLSA-N 1 1 315.414 -1.361 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814128 780151131 /nfs/dbraw/zinc/15/11/31/780151131.db2.gz UCOGAIJTRUJWFX-MJBXVCDLSA-N 1 1 315.414 -1.361 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O)C1CCC1 ZINC001219812144 780151175 /nfs/dbraw/zinc/15/11/75/780151175.db2.gz OHGKDRXHDWGVMM-KGLIPLIRSA-N 1 1 324.425 -1.089 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811955 780151345 /nfs/dbraw/zinc/15/13/45/780151345.db2.gz FCHILOHCGHGDNM-NEPJUHHUSA-N 1 1 323.401 -1.644 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822628 780151794 /nfs/dbraw/zinc/15/17/94/780151794.db2.gz QIYUOVISDXBMMS-NEPJUHHUSA-N 1 1 310.354 -1.408 20 0 DAADMO CN1CC[C@H](N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)C1=O ZINC001219816044 780151988 /nfs/dbraw/zinc/15/19/88/780151988.db2.gz WHJNCDNHDJKAFO-RDBSUJKOSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219826738 780152134 /nfs/dbraw/zinc/15/21/34/780152134.db2.gz UVSNAPFFPFHVKC-HGNGGELXSA-N 1 1 312.395 -1.167 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813714 780152069 /nfs/dbraw/zinc/15/20/69/780152069.db2.gz AQOLGTRAGJQVCE-UPJWGTAASA-N 1 1 310.398 -1.480 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812899 780152128 /nfs/dbraw/zinc/15/21/28/780152128.db2.gz KLFHPFOSUYRXLI-GVXVVHGQSA-N 1 1 316.427 -1.507 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811927 780152399 /nfs/dbraw/zinc/15/23/99/780152399.db2.gz CQFPZEVBROJFJR-KGLIPLIRSA-N 1 1 322.413 -1.039 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001219815726 780152417 /nfs/dbraw/zinc/15/24/17/780152417.db2.gz HETGPJYFGMVORB-KGLIPLIRSA-N 1 1 322.413 -1.076 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001219827715 780153371 /nfs/dbraw/zinc/15/33/71/780153371.db2.gz KMFYHEWTGOJEKK-OXHZDVMGSA-N 1 1 324.381 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001219827715 780153374 /nfs/dbraw/zinc/15/33/74/780153374.db2.gz KMFYHEWTGOJEKK-OXHZDVMGSA-N 1 1 324.381 -1.317 20 0 DAADMO NCC(=O)NCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835088 780153725 /nfs/dbraw/zinc/15/37/25/780153725.db2.gz WLMAZDARBZRGAZ-GWCFXTLKSA-N 1 1 300.359 -2.427 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001219839583 780154679 /nfs/dbraw/zinc/15/46/79/780154679.db2.gz SHMBELQIHNTLGX-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001219839583 780154682 /nfs/dbraw/zinc/15/46/82/780154682.db2.gz SHMBELQIHNTLGX-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CNCCC1=O ZINC001219839442 780154939 /nfs/dbraw/zinc/15/49/39/780154939.db2.gz ZVFAZPINFMNYDD-TYNCELHUSA-N 1 1 311.382 -1.324 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219841787 780155188 /nfs/dbraw/zinc/15/51/88/780155188.db2.gz ZJUIWGJFVQQJSP-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219841787 780155194 /nfs/dbraw/zinc/15/51/94/780155194.db2.gz ZJUIWGJFVQQJSP-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219845792 780156082 /nfs/dbraw/zinc/15/60/82/780156082.db2.gz SPIWSVHBDHARNP-AXFHLTTASA-N 1 1 312.326 -2.036 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219849939 780156131 /nfs/dbraw/zinc/15/61/31/780156131.db2.gz JTXLYYFRCNQODH-AJBSGBCOSA-N 1 1 300.359 -2.554 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219846762 780156443 /nfs/dbraw/zinc/15/64/43/780156443.db2.gz BYEXVIQXJAHVDH-ZJUUUORDSA-N 1 1 303.359 -2.332 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219846762 780156445 /nfs/dbraw/zinc/15/64/45/780156445.db2.gz BYEXVIQXJAHVDH-ZJUUUORDSA-N 1 1 303.359 -2.332 20 0 DAADMO CCOC(=O)C1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CNC1 ZINC001219851809 780157767 /nfs/dbraw/zinc/15/77/67/780157767.db2.gz GGRFTOWZLFGLIQ-SDDRHHMPSA-N 1 1 311.382 -1.120 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001219858686 780157907 /nfs/dbraw/zinc/15/79/07/780157907.db2.gz YQBXYDLJNXVGRN-IEBDPFPHSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001219858686 780157909 /nfs/dbraw/zinc/15/79/09/780157909.db2.gz YQBXYDLJNXVGRN-IEBDPFPHSA-N 1 1 301.368 -1.075 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219863895 780158676 /nfs/dbraw/zinc/15/86/76/780158676.db2.gz DBKICCTVBWQAHA-OLZOCXBDSA-N 1 1 312.370 -1.256 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001219902655 780160350 /nfs/dbraw/zinc/16/03/50/780160350.db2.gz GDRGOYUGPNMPKX-MNOVXSKESA-N 1 1 300.403 -1.376 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001219894171 780161048 /nfs/dbraw/zinc/16/10/48/780161048.db2.gz XGNRWVPUHHIZAN-MNOVXSKESA-N 1 1 300.359 -2.192 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219894298 780161148 /nfs/dbraw/zinc/16/11/48/780161148.db2.gz ZBGNHZQYWRKWBD-MNOVXSKESA-N 1 1 300.359 -2.190 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)CC1 ZINC001219904980 780162776 /nfs/dbraw/zinc/16/27/76/780162776.db2.gz QIWCRIPCEGTYHM-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219924170 780162948 /nfs/dbraw/zinc/16/29/48/780162948.db2.gz NNUBJUXTIYXTNC-BBBLOLIVSA-N 1 1 321.324 -1.435 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001219949550 780166429 /nfs/dbraw/zinc/16/64/29/780166429.db2.gz JOZYPYDBLSDNJC-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001219962930 780167036 /nfs/dbraw/zinc/16/70/36/780167036.db2.gz FUKNSZOSERGIMZ-OLZOCXBDSA-N 1 1 323.349 -1.213 20 0 DAADMO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001219962930 780167042 /nfs/dbraw/zinc/16/70/42/780167042.db2.gz FUKNSZOSERGIMZ-OLZOCXBDSA-N 1 1 323.349 -1.213 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CN1 ZINC001219967952 780167256 /nfs/dbraw/zinc/16/72/56/780167256.db2.gz QBPXFBFOHHBKRM-UTUOFQBUSA-N 1 1 313.402 -2.244 20 0 DAADMO CCn1c(N)c(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(=O)n(CC)c1=O ZINC001219972122 780167417 /nfs/dbraw/zinc/16/74/17/780167417.db2.gz KOLSEXPZGFMTEJ-SFYZADRCSA-N 1 1 310.358 -1.740 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219963561 780167432 /nfs/dbraw/zinc/16/74/32/780167432.db2.gz VJSLNSFIOMXTKQ-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CCn1c(N)c(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)c(=O)n(CC)c1=O ZINC001219972126 780167838 /nfs/dbraw/zinc/16/78/38/780167838.db2.gz KOLSEXPZGFMTEJ-YUMQZZPRSA-N 1 1 310.358 -1.740 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CCCC1 ZINC001219975948 780168566 /nfs/dbraw/zinc/16/85/66/780168566.db2.gz VMKAHTDSJPNNRO-HZSPNIEDSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCCC1 ZINC001219975948 780168571 /nfs/dbraw/zinc/16/85/71/780168571.db2.gz VMKAHTDSJPNNRO-HZSPNIEDSA-N 1 1 313.398 -1.165 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220007296 780170434 /nfs/dbraw/zinc/17/04/34/780170434.db2.gz TWONVGROGBAKFI-NEPJUHHUSA-N 1 1 309.370 -1.134 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220007296 780170436 /nfs/dbraw/zinc/17/04/36/780170436.db2.gz TWONVGROGBAKFI-NEPJUHHUSA-N 1 1 309.370 -1.134 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220006334 780170959 /nfs/dbraw/zinc/17/09/59/780170959.db2.gz VAEMLVCMVKZVMP-UTUOFQBUSA-N 1 1 304.387 -1.172 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220007000 780171090 /nfs/dbraw/zinc/17/10/90/780171090.db2.gz LFZKSFJPGNIWOC-NEPJUHHUSA-N 1 1 304.387 -1.171 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220007000 780171092 /nfs/dbraw/zinc/17/10/92/780171092.db2.gz LFZKSFJPGNIWOC-NEPJUHHUSA-N 1 1 304.387 -1.171 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@@H](O)C1 ZINC001220027836 780172547 /nfs/dbraw/zinc/17/25/47/780172547.db2.gz PNFRNCISYFIKCC-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220064442 780173355 /nfs/dbraw/zinc/17/33/55/780173355.db2.gz CITATRKFPRCPLC-ZJUUUORDSA-N 1 1 312.313 -1.562 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220064442 780173357 /nfs/dbraw/zinc/17/33/57/780173357.db2.gz CITATRKFPRCPLC-ZJUUUORDSA-N 1 1 312.313 -1.562 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001220065691 780174939 /nfs/dbraw/zinc/17/49/39/780174939.db2.gz YPQAAQMPCYDDSN-AEJSXWLSSA-N 1 1 312.313 -1.563 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066738 780175386 /nfs/dbraw/zinc/17/53/86/780175386.db2.gz WTCUPQZTTTZPLV-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220073490 780175627 /nfs/dbraw/zinc/17/56/27/780175627.db2.gz CETIHRGSMGXCID-AXFHLTTASA-N 1 1 322.431 -1.752 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn(C)c1 ZINC001220081462 780176642 /nfs/dbraw/zinc/17/66/42/780176642.db2.gz BSIBHSXTKXKPHN-AGIUHOORSA-N 1 1 312.370 -1.349 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220081988 780176735 /nfs/dbraw/zinc/17/67/35/780176735.db2.gz LXRSDWVLBUUGND-AGIUHOORSA-N 1 1 312.370 -1.085 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220081988 780176739 /nfs/dbraw/zinc/17/67/39/780176739.db2.gz LXRSDWVLBUUGND-AGIUHOORSA-N 1 1 312.370 -1.085 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220076430 780177222 /nfs/dbraw/zinc/17/72/22/780177222.db2.gz ZQFDOTRMWZLQAH-AEJSXWLSSA-N 1 1 324.403 -2.764 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082476 780177259 /nfs/dbraw/zinc/17/72/59/780177259.db2.gz SPVACCQCXVEMRK-DYEKYZERSA-N 1 1 302.371 -1.153 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1csnn1 ZINC001220085533 780177542 /nfs/dbraw/zinc/17/75/42/780177542.db2.gz CFCRFVSHGNNMHA-SCZZXKLOSA-N 1 1 302.356 -1.678 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1csnn1 ZINC001220085533 780177546 /nfs/dbraw/zinc/17/75/46/780177546.db2.gz CFCRFVSHGNNMHA-SCZZXKLOSA-N 1 1 302.356 -1.678 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001220118418 780179324 /nfs/dbraw/zinc/17/93/24/780179324.db2.gz OULVWEYVQZDXRK-MNOVXSKESA-N 1 1 313.358 -1.449 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001220118418 780179326 /nfs/dbraw/zinc/17/93/26/780179326.db2.gz OULVWEYVQZDXRK-MNOVXSKESA-N 1 1 313.358 -1.449 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001220122340 780181571 /nfs/dbraw/zinc/18/15/71/780181571.db2.gz OXQSVMBLJYBPDD-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220130107 780181685 /nfs/dbraw/zinc/18/16/85/780181685.db2.gz NDUDOMRCHONTTL-MXWKQRLJSA-N 1 1 301.343 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220130107 780181690 /nfs/dbraw/zinc/18/16/90/780181690.db2.gz NDUDOMRCHONTTL-MXWKQRLJSA-N 1 1 301.343 -2.707 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132288 780181990 /nfs/dbraw/zinc/18/19/90/780181990.db2.gz IQNXCAUZQUFRCC-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220136198 780183173 /nfs/dbraw/zinc/18/31/73/780183173.db2.gz RYXYEPJEXBBJRK-TUAOUCFPSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220136198 780183178 /nfs/dbraw/zinc/18/31/78/780183178.db2.gz RYXYEPJEXBBJRK-TUAOUCFPSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220136027 780183257 /nfs/dbraw/zinc/18/32/57/780183257.db2.gz PHXAISPLHTWSJO-UHTWSYAYSA-N 1 1 323.397 -1.365 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](O)C1 ZINC001220138085 780185240 /nfs/dbraw/zinc/18/52/40/780185240.db2.gz OJNRLGJWEJGWBM-ZRJCITRHSA-N 1 1 313.398 -1.044 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](O)C1 ZINC001220144915 780185276 /nfs/dbraw/zinc/18/52/76/780185276.db2.gz OJNRLGJWEJGWBM-DEQVHRJGSA-N 1 1 313.398 -1.044 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001220156731 780186101 /nfs/dbraw/zinc/18/61/01/780186101.db2.gz IAJDBTYPGPTLII-LBPRGKRZSA-N 1 1 306.366 -1.484 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220151588 780186463 /nfs/dbraw/zinc/18/64/63/780186463.db2.gz YMUKZIGVNDQEEX-WYUUTHIRSA-N 1 1 315.370 -2.224 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)n1 ZINC001220159207 780186530 /nfs/dbraw/zinc/18/65/30/780186530.db2.gz FBTQEAUPRVDJSB-NEPJUHHUSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)n1 ZINC001220159207 780186537 /nfs/dbraw/zinc/18/65/37/780186537.db2.gz FBTQEAUPRVDJSB-NEPJUHHUSA-N 1 1 324.385 -1.198 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151901 780186589 /nfs/dbraw/zinc/18/65/89/780186589.db2.gz LTJZAIHWAFUZSU-LBPRGKRZSA-N 1 1 300.403 -2.014 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159250 780187021 /nfs/dbraw/zinc/18/70/21/780187021.db2.gz GDHHPEVLPLONGQ-YIZRAAEISA-N 1 1 300.319 -3.008 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159250 780187024 /nfs/dbraw/zinc/18/70/24/780187024.db2.gz GDHHPEVLPLONGQ-YIZRAAEISA-N 1 1 300.319 -3.008 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170731 780187858 /nfs/dbraw/zinc/18/78/58/780187858.db2.gz SOTBLCGGUJXGEC-VHSXEESVSA-N 1 1 302.327 -1.085 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](O)C1 ZINC001220178228 780187974 /nfs/dbraw/zinc/18/79/74/780187974.db2.gz CRUHBBDQRMSNBS-MRTMQBJTSA-N 1 1 317.367 -1.369 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1COCCC12OCCO2 ZINC001220170730 780188002 /nfs/dbraw/zinc/18/80/02/780188002.db2.gz SOTBLCGGUJXGEC-UWVGGRQHSA-N 1 1 302.327 -1.085 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166501 780188407 /nfs/dbraw/zinc/18/84/07/780188407.db2.gz COKPKWJMGZIQNR-OXIQGZBJSA-N 1 1 312.414 -1.151 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001220174319 780188609 /nfs/dbraw/zinc/18/86/09/780188609.db2.gz ILDLBBTVFICPSV-QKFSQAGISA-N 1 1 300.355 -1.953 20 0 DAADMO COc1ccnc(C(=N)NC(=O)[C@H](N)CN2CCC([NH3+])CC2)n1 ZINC001220183270 780189880 /nfs/dbraw/zinc/18/98/80/780189880.db2.gz KERQVZVJNQONPW-SNVBAGLBSA-N 1 1 321.385 -1.323 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224585 780190647 /nfs/dbraw/zinc/19/06/47/780190647.db2.gz UIARNOJCHWWWIG-OLZOCXBDSA-N 1 1 312.370 -1.003 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221047 780190967 /nfs/dbraw/zinc/19/09/67/780190967.db2.gz OWUCBNSJIHWYBH-BJDJZHNGSA-N 1 1 300.403 -1.200 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225948 780191301 /nfs/dbraw/zinc/19/13/01/780191301.db2.gz VGXSANLDOZTTQV-NEPJUHHUSA-N 1 1 310.354 -1.029 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001220242968 780193676 /nfs/dbraw/zinc/19/36/76/780193676.db2.gz GRYPNYRQTGQGJX-RTXFEEFZSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]1O ZINC001220242968 780193682 /nfs/dbraw/zinc/19/36/82/780193682.db2.gz GRYPNYRQTGQGJX-RTXFEEFZSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220242663 780194202 /nfs/dbraw/zinc/19/42/02/780194202.db2.gz ATVPWDMXRVMDEN-SFYZADRCSA-N 1 1 313.276 -1.398 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249729 780195327 /nfs/dbraw/zinc/19/53/27/780195327.db2.gz YLSSOFDJIJFWNS-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220246191 780195351 /nfs/dbraw/zinc/19/53/51/780195351.db2.gz OOXSCDOPEFXXPH-MNOVXSKESA-N 1 1 307.354 -1.690 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220246191 780195356 /nfs/dbraw/zinc/19/53/56/780195356.db2.gz OOXSCDOPEFXXPH-MNOVXSKESA-N 1 1 307.354 -1.690 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256036 780196570 /nfs/dbraw/zinc/19/65/70/780196570.db2.gz BVVCGLSTZRIPBH-AEJSXWLSSA-N 1 1 301.343 -2.580 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220257507 780197103 /nfs/dbraw/zinc/19/71/03/780197103.db2.gz ASZVWTODCQTQEU-NEPJUHHUSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)CC1 ZINC001220257507 780197107 /nfs/dbraw/zinc/19/71/07/780197107.db2.gz ASZVWTODCQTQEU-NEPJUHHUSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)CC1 ZINC001220257987 780197241 /nfs/dbraw/zinc/19/72/41/780197241.db2.gz YSEYOGRFQARSET-NEPJUHHUSA-N 1 1 311.382 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295310 780199756 /nfs/dbraw/zinc/19/97/56/780199756.db2.gz MBLMPJZZMQTXOL-QNSHHTMESA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295310 780199761 /nfs/dbraw/zinc/19/97/61/780199761.db2.gz MBLMPJZZMQTXOL-QNSHHTMESA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001220280205 780199917 /nfs/dbraw/zinc/19/99/17/780199917.db2.gz DCPQAOZGDJMMPC-MCIONIFRSA-N 1 1 314.382 -1.108 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220311191 780201409 /nfs/dbraw/zinc/20/14/09/780201409.db2.gz REOWQAGYGKMFFI-AGIUHOORSA-N 1 1 312.370 -1.294 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220311191 780201411 /nfs/dbraw/zinc/20/14/11/780201411.db2.gz REOWQAGYGKMFFI-AGIUHOORSA-N 1 1 312.370 -1.294 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220311193 780201585 /nfs/dbraw/zinc/20/15/85/780201585.db2.gz REOWQAGYGKMFFI-FRRDWIJNSA-N 1 1 312.370 -1.294 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220311193 780201590 /nfs/dbraw/zinc/20/15/90/780201590.db2.gz REOWQAGYGKMFFI-FRRDWIJNSA-N 1 1 312.370 -1.294 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319603 780203136 /nfs/dbraw/zinc/20/31/36/780203136.db2.gz HYJJUFVFYRZPDE-RMIALFOJSA-N 1 1 314.386 -2.162 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355123 780204275 /nfs/dbraw/zinc/20/42/75/780204275.db2.gz DXPDMAGJGZEQRW-XQQFMLRXSA-N 1 1 312.414 -1.374 20 0 DAADMO O=C(NCc1c[nH]nn1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220329552 780204376 /nfs/dbraw/zinc/20/43/76/780204376.db2.gz STPHDSSJJGELFM-JTQLQIEISA-N 1 1 313.383 -1.165 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001220329665 780205050 /nfs/dbraw/zinc/20/50/50/780205050.db2.gz WLTJBHMJFQZBJI-WDEREUQCSA-N 1 1 309.322 -1.590 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220363599 780205799 /nfs/dbraw/zinc/20/57/99/780205799.db2.gz FXSWRXYIHCRXFI-XQHKEYJVSA-N 1 1 311.382 -1.304 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220363599 780205807 /nfs/dbraw/zinc/20/58/07/780205807.db2.gz FXSWRXYIHCRXFI-XQHKEYJVSA-N 1 1 311.382 -1.304 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220367345 780206592 /nfs/dbraw/zinc/20/65/92/780206592.db2.gz UQKDZJGCDYHDSZ-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001220369304 780206819 /nfs/dbraw/zinc/20/68/19/780206819.db2.gz FYQFMXMFFUXYAM-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220373952 780206892 /nfs/dbraw/zinc/20/68/92/780206892.db2.gz JOUYAUVBXIRHEW-UHTWSYAYSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC001220358122 780206981 /nfs/dbraw/zinc/20/69/81/780206981.db2.gz ZQLIWRSGFITKRM-LOWDOPEQSA-N 1 1 313.398 -1.092 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](O)C1 ZINC001220371336 780206998 /nfs/dbraw/zinc/20/69/98/780206998.db2.gz ICGZLUWUSIAGIC-TUAOUCFPSA-N 1 1 312.370 -1.191 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428180 780212509 /nfs/dbraw/zinc/21/25/09/780212509.db2.gz VBQOZQHTTJFHMH-AXFHLTTASA-N 1 1 307.416 -1.115 20 0 DAADMO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2COCCN2)cc1 ZINC001220428911 780213431 /nfs/dbraw/zinc/21/34/31/780213431.db2.gz HJWOFRMEYMRFMZ-STQMWFEESA-N 1 1 306.366 -1.240 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431463 780213862 /nfs/dbraw/zinc/21/38/62/780213862.db2.gz HIWPSYQUBCFVTP-QWRGUYRKSA-N 1 1 316.402 -1.650 20 0 DAADMO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCCN1 ZINC001220431704 780214098 /nfs/dbraw/zinc/21/40/98/780214098.db2.gz NIKBJRJPTIWRKI-KGLIPLIRSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439033 780214279 /nfs/dbraw/zinc/21/42/79/780214279.db2.gz DURPMPQDIMWIKM-BBBLOLIVSA-N 1 1 324.403 -3.076 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220428673 780214317 /nfs/dbraw/zinc/21/43/17/780214317.db2.gz CJBDBHJZEZAUIS-VHSXEESVSA-N 1 1 303.384 -2.132 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1COCCN1 ZINC001220431900 780214519 /nfs/dbraw/zinc/21/45/19/780214519.db2.gz SPFTUBYNDMNUER-CIUDSAMLSA-N 1 1 301.347 -3.202 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220439407 780214642 /nfs/dbraw/zinc/21/46/42/780214642.db2.gz UUAXROHOEJSYMW-ZJUUUORDSA-N 1 1 324.403 -3.074 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)n1 ZINC001220478917 780215475 /nfs/dbraw/zinc/21/54/75/780215475.db2.gz PUURGJFKNCSORE-UHTWSYAYSA-N 1 1 312.370 -1.315 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 ZINC001220457537 780215535 /nfs/dbraw/zinc/21/55/35/780215535.db2.gz KLNPALWQQZOOAS-UHTWSYAYSA-N 1 1 302.371 -1.276 20 0 DAADMO O=C(COC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220450633 780215661 /nfs/dbraw/zinc/21/56/61/780215661.db2.gz UWEOLVHCHFSNAS-UPJWGTAASA-N 1 1 302.371 -1.417 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220465723 780216145 /nfs/dbraw/zinc/21/61/45/780216145.db2.gz QYAQZFCOSFQKLK-ZJUUUORDSA-N 1 1 302.375 -1.762 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220465723 780216152 /nfs/dbraw/zinc/21/61/52/780216152.db2.gz QYAQZFCOSFQKLK-ZJUUUORDSA-N 1 1 302.375 -1.762 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220508303 780219398 /nfs/dbraw/zinc/21/93/98/780219398.db2.gz GGBKZCFFHQFUFO-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509536 780219423 /nfs/dbraw/zinc/21/94/23/780219423.db2.gz CMVICFDITVGRDN-AEJSXWLSSA-N 1 1 323.415 -2.144 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220509801 780220235 /nfs/dbraw/zinc/22/02/35/780220235.db2.gz PUXMCDGNWHLVLX-BDAKNGLRSA-N 1 1 309.388 -2.532 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220509801 780220245 /nfs/dbraw/zinc/22/02/45/780220245.db2.gz PUXMCDGNWHLVLX-BDAKNGLRSA-N 1 1 309.388 -2.532 20 0 DAADMO CN(CC[NH3+])CCNC(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001220517221 780221325 /nfs/dbraw/zinc/22/13/25/780221325.db2.gz BAXTXKVGNKMXTP-NSHDSACASA-N 1 1 317.434 -1.748 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553162 780226303 /nfs/dbraw/zinc/22/63/03/780226303.db2.gz AVVAGSIQPQQBHM-TUAOUCFPSA-N 1 1 314.386 -2.256 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCOCC1 ZINC001220549741 780226617 /nfs/dbraw/zinc/22/66/17/780226617.db2.gz ADYMJVNHRRFETL-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCOCC1 ZINC001220549741 780226624 /nfs/dbraw/zinc/22/66/24/780226624.db2.gz ADYMJVNHRRFETL-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220560016 780226769 /nfs/dbraw/zinc/22/67/69/780226769.db2.gz MVFWQQVDUDFNNM-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220560016 780226780 /nfs/dbraw/zinc/22/67/80/780226780.db2.gz MVFWQQVDUDFNNM-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](O)C1 ZINC001220550565 780227214 /nfs/dbraw/zinc/22/72/14/780227214.db2.gz YQMQBGQJKDAQOC-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220562233 780227449 /nfs/dbraw/zinc/22/74/49/780227449.db2.gz WRPMAMKPQXABQZ-NEPJUHHUSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220562233 780227457 /nfs/dbraw/zinc/22/74/57/780227457.db2.gz WRPMAMKPQXABQZ-NEPJUHHUSA-N 1 1 317.386 -1.929 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](O)C1 ZINC001220568363 780228296 /nfs/dbraw/zinc/22/82/96/780228296.db2.gz JDIPTRKGNNIUCJ-BNOWGMLFSA-N 1 1 324.381 -1.124 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220562752 780228346 /nfs/dbraw/zinc/22/83/46/780228346.db2.gz CNXKUYSLQDMSAT-ZJUUUORDSA-N 1 1 312.326 -2.920 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220574884 780228851 /nfs/dbraw/zinc/22/88/51/780228851.db2.gz DDSLYRXHVJFUSU-LLVKDONJSA-N 1 1 308.338 -1.336 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220562773 780229068 /nfs/dbraw/zinc/22/90/68/780229068.db2.gz DUXZLPSENROCNQ-TUAOUCFPSA-N 1 1 317.386 -1.930 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606140 780233351 /nfs/dbraw/zinc/23/33/51/780233351.db2.gz HJLDPFGPUHRKGM-UTUOFQBUSA-N 1 1 312.374 -1.615 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220606060 780233841 /nfs/dbraw/zinc/23/38/41/780233841.db2.gz DGJNCQBQGPKNTH-OLZOCXBDSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220601519 780233931 /nfs/dbraw/zinc/23/39/31/780233931.db2.gz GBYGNGHMJIHHDE-UPJWGTAASA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220601605 780234503 /nfs/dbraw/zinc/23/45/03/780234503.db2.gz ITCHLBSSWACCFB-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220601605 780234506 /nfs/dbraw/zinc/23/45/06/780234506.db2.gz ITCHLBSSWACCFB-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCCOC1 ZINC001220623411 780235171 /nfs/dbraw/zinc/23/51/71/780235171.db2.gz LFPKZDBAIUXCJJ-VNHYZAJKSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCCOC1 ZINC001220623411 780235179 /nfs/dbraw/zinc/23/51/79/780235179.db2.gz LFPKZDBAIUXCJJ-VNHYZAJKSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606513 780235277 /nfs/dbraw/zinc/23/52/77/780235277.db2.gz WDVSQNBBMITSFE-MXWKQRLJSA-N 1 1 300.338 -1.027 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1)OC ZINC001220606182 780235705 /nfs/dbraw/zinc/23/57/05/780235705.db2.gz JBPIDADBZBEPKN-TUAOUCFPSA-N 1 1 312.374 -1.351 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220618511 780236151 /nfs/dbraw/zinc/23/61/51/780236151.db2.gz WGIOBDNTQDVODX-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001220646601 780237135 /nfs/dbraw/zinc/23/71/35/780237135.db2.gz FMISMLZQLPJEDT-NEPJUHHUSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001220646601 780237139 /nfs/dbraw/zinc/23/71/39/780237139.db2.gz FMISMLZQLPJEDT-NEPJUHHUSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H](O)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642484 780237509 /nfs/dbraw/zinc/23/75/09/780237509.db2.gz DCHJVDMAGASTGH-BNOWGMLFSA-N 1 1 315.414 -1.361 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682814 780238263 /nfs/dbraw/zinc/23/82/63/780238263.db2.gz BPMXGPWRFXDJDU-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO COC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220659295 780238365 /nfs/dbraw/zinc/23/83/65/780238365.db2.gz VODBXFILSWUUJM-XQQFMLRXSA-N 1 1 304.387 -1.171 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682922 780238767 /nfs/dbraw/zinc/23/87/67/780238767.db2.gz HQMTUZXURHSLBX-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220661465 780239380 /nfs/dbraw/zinc/23/93/80/780239380.db2.gz SQMWTJADRUQAQU-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001220683448 780239835 /nfs/dbraw/zinc/23/98/35/780239835.db2.gz SLSGRBZFKMMOIG-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001220683237 780240061 /nfs/dbraw/zinc/24/00/61/780240061.db2.gz NZBZGSVWGKOQPD-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220692619 780240886 /nfs/dbraw/zinc/24/08/86/780240886.db2.gz YBOXIQDBMNMVPU-MJBXVCDLSA-N 1 1 324.381 -1.422 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001220688878 780240958 /nfs/dbraw/zinc/24/09/58/780240958.db2.gz UEIMWUDETAWWFL-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnc1CN ZINC001220714607 780241998 /nfs/dbraw/zinc/24/19/98/780241998.db2.gz RLUIIACFPGQROO-CBAPKCEASA-N 1 1 308.342 -1.814 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220689001 780242062 /nfs/dbraw/zinc/24/20/62/780242062.db2.gz ZSMCNGHIRKQYMK-TUAOUCFPSA-N 1 1 300.403 -1.376 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220755567 780243701 /nfs/dbraw/zinc/24/37/01/780243701.db2.gz QOHRDTONVCEQLX-MJBXVCDLSA-N 1 1 315.414 -1.502 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220755567 780243707 /nfs/dbraw/zinc/24/37/07/780243707.db2.gz QOHRDTONVCEQLX-MJBXVCDLSA-N 1 1 315.414 -1.502 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764366 780245155 /nfs/dbraw/zinc/24/51/55/780245155.db2.gz IWWUBNMNUZTKOK-XQQFMLRXSA-N 1 1 312.414 -1.374 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220762195 780245739 /nfs/dbraw/zinc/24/57/39/780245739.db2.gz JTMSNVNODPAAAU-OUAUKWLOSA-N 1 1 316.402 -1.387 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220762196 780246063 /nfs/dbraw/zinc/24/60/63/780246063.db2.gz JTMSNVNODPAAAU-VWYCJHECSA-N 1 1 316.402 -1.387 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220785361 780246581 /nfs/dbraw/zinc/24/65/81/780246581.db2.gz MIIQXGIHAOPGBN-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220769512 780247067 /nfs/dbraw/zinc/24/70/67/780247067.db2.gz OEPSCXWMVHPBQL-BLTAXRJOSA-N 1 1 321.381 -1.158 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220788738 780247081 /nfs/dbraw/zinc/24/70/81/780247081.db2.gz UQGAPGIFGXEPTJ-TUAOUCFPSA-N 1 1 301.387 -1.165 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806410 780248829 /nfs/dbraw/zinc/24/88/29/780248829.db2.gz BQGYCJMPYHSOGN-MCIONIFRSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001220815783 780248877 /nfs/dbraw/zinc/24/88/77/780248877.db2.gz ZDONNQWPKMVJCG-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220825914 780249924 /nfs/dbraw/zinc/24/99/24/780249924.db2.gz JJSJLDXFECWIFM-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220833111 780251383 /nfs/dbraw/zinc/25/13/83/780251383.db2.gz VJIKQZINVRZLQM-OLZOCXBDSA-N 1 1 307.350 -1.430 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)CNC1 ZINC001220849210 780252641 /nfs/dbraw/zinc/25/26/41/780252641.db2.gz WFQWHHZODVYXGU-SNVBAGLBSA-N 1 1 307.354 -1.376 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220867745 780254304 /nfs/dbraw/zinc/25/43/04/780254304.db2.gz CVLRFHWJQZAFSE-RTXFEEFZSA-N 1 1 301.387 -1.213 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874147 780254498 /nfs/dbraw/zinc/25/44/98/780254498.db2.gz ATESLFBCLTZDNX-CNVPUSNMSA-N 1 1 312.370 -2.334 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220867746 780255028 /nfs/dbraw/zinc/25/50/28/780255028.db2.gz CVLRFHWJQZAFSE-UHTWSYAYSA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220879019 780256242 /nfs/dbraw/zinc/25/62/42/780256242.db2.gz BNBQUZUCGAWYKF-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220879019 780256248 /nfs/dbraw/zinc/25/62/48/780256248.db2.gz BNBQUZUCGAWYKF-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220915971 780257865 /nfs/dbraw/zinc/25/78/65/780257865.db2.gz WMJQHCZVMAITQP-BNOWGMLFSA-N 1 1 321.377 -1.042 20 0 DAADMO C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220915971 780257872 /nfs/dbraw/zinc/25/78/72/780257872.db2.gz WMJQHCZVMAITQP-BNOWGMLFSA-N 1 1 321.377 -1.042 20 0 DAADMO O=C(CNC(=O)C1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220904276 780258132 /nfs/dbraw/zinc/25/81/32/780258132.db2.gz ATKPDJSWYDEQNU-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220922080 780258813 /nfs/dbraw/zinc/25/88/13/780258813.db2.gz WLCADFGJNUCDLA-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220922080 780258818 /nfs/dbraw/zinc/25/88/18/780258818.db2.gz WLCADFGJNUCDLA-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220933561 780259922 /nfs/dbraw/zinc/25/99/22/780259922.db2.gz DBJAASBZXZPYML-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001220933702 780260596 /nfs/dbraw/zinc/26/05/96/780260596.db2.gz JQAPTLYPWDEKJZ-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934146 780261301 /nfs/dbraw/zinc/26/13/01/780261301.db2.gz UWAZFZGEVOKHKH-MXWKQRLJSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935789 780261332 /nfs/dbraw/zinc/26/13/32/780261332.db2.gz VYVVNYZZOFUXLL-MNOVXSKESA-N 1 1 302.375 -1.369 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220937812 780262084 /nfs/dbraw/zinc/26/20/84/780262084.db2.gz BJUXOGXZFAKESJ-UTUOFQBUSA-N 1 1 314.386 -1.225 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220944675 780262375 /nfs/dbraw/zinc/26/23/75/780262375.db2.gz YJEBXLGNELEMIS-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220937926 780262557 /nfs/dbraw/zinc/26/25/57/780262557.db2.gz HDPMHGAHOWRZBW-AEJSXWLSSA-N 1 1 304.347 -2.787 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938189 780263016 /nfs/dbraw/zinc/26/30/16/780263016.db2.gz QAMPFIGUKLYTMJ-NEPJUHHUSA-N 1 1 316.402 -1.121 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938186 780263123 /nfs/dbraw/zinc/26/31/23/780263123.db2.gz PXSNZMDJVCMXHG-MNOVXSKESA-N 1 1 318.374 -2.131 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 ZINC001220973474 780263917 /nfs/dbraw/zinc/26/39/17/780263917.db2.gz LTMQDISKFCMMCS-ZJUUUORDSA-N 1 1 312.326 -1.271 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@@H](O)C1 ZINC001220973474 780263923 /nfs/dbraw/zinc/26/39/23/780263923.db2.gz LTMQDISKFCMMCS-ZJUUUORDSA-N 1 1 312.326 -1.271 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001220959386 780264559 /nfs/dbraw/zinc/26/45/59/780264559.db2.gz COSHWCRJNWKQJL-MXWKQRLJSA-N 1 1 301.387 -1.309 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976235 780264712 /nfs/dbraw/zinc/26/47/12/780264712.db2.gz PKHAVYJMIKLRAF-UPJWGTAASA-N 1 1 312.414 -1.422 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220959447 780265312 /nfs/dbraw/zinc/26/53/12/780265312.db2.gz GGZWUYVVMCZCPQ-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O ZINC001220978997 780265403 /nfs/dbraw/zinc/26/54/03/780265403.db2.gz AAWPKEJFYMTKTP-OLZOCXBDSA-N 1 1 323.397 -1.123 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001220992439 780265740 /nfs/dbraw/zinc/26/57/40/780265740.db2.gz ASKSJIJROJJWAB-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220992702 780266112 /nfs/dbraw/zinc/26/61/12/780266112.db2.gz HVTQLSQVWLIVSG-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001220986838 780266386 /nfs/dbraw/zinc/26/63/86/780266386.db2.gz CHPRYCRUODIWCR-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001220986838 780266391 /nfs/dbraw/zinc/26/63/91/780266391.db2.gz CHPRYCRUODIWCR-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220981545 780266427 /nfs/dbraw/zinc/26/64/27/780266427.db2.gz WSHCYDSBDFEQLO-MJBXVCDLSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220981545 780266434 /nfs/dbraw/zinc/26/64/34/780266434.db2.gz WSHCYDSBDFEQLO-MJBXVCDLSA-N 1 1 315.414 -1.502 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001220992615 780266506 /nfs/dbraw/zinc/26/65/06/780266506.db2.gz DNQXNVYROAEXDL-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220992821 780266744 /nfs/dbraw/zinc/26/67/44/780266744.db2.gz KRWZXECKXSFERF-AEJSXWLSSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001220992821 780266751 /nfs/dbraw/zinc/26/67/51/780266751.db2.gz KRWZXECKXSFERF-AEJSXWLSSA-N 1 1 309.388 -2.268 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220983183 780266806 /nfs/dbraw/zinc/26/68/06/780266806.db2.gz DMGONDWHTIYNHI-KGLIPLIRSA-N 1 1 324.381 -1.177 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220983183 780266812 /nfs/dbraw/zinc/26/68/12/780266812.db2.gz DMGONDWHTIYNHI-KGLIPLIRSA-N 1 1 324.381 -1.177 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979749 780267297 /nfs/dbraw/zinc/26/72/97/780267297.db2.gz SXYYGBYORBXBMF-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO O=C(C[C@H]1CCCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220985853 780267496 /nfs/dbraw/zinc/26/74/96/780267496.db2.gz HVFKXBVQPGAABJ-MCIONIFRSA-N 1 1 316.398 -1.027 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221007182 780268116 /nfs/dbraw/zinc/26/81/16/780268116.db2.gz YYCGHYMGCYDOLP-LALPHHSUSA-N 1 1 311.430 -1.218 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001221006362 780269342 /nfs/dbraw/zinc/26/93/42/780269342.db2.gz FKSFOSZNYNDMNZ-CYDGBPFRSA-N 1 1 311.430 -1.362 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001221007181 780269375 /nfs/dbraw/zinc/26/93/75/780269375.db2.gz YYCGHYMGCYDOLP-HUBLWGQQSA-N 1 1 311.430 -1.218 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001221006320 780269651 /nfs/dbraw/zinc/26/96/51/780269651.db2.gz DZLFOILFXYTHNG-CYDGBPFRSA-N 1 1 312.414 -1.186 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001221052987 780270420 /nfs/dbraw/zinc/27/04/20/780270420.db2.gz KSBXXYYXTHMDOR-UHFFFAOYSA-N 1 1 316.402 -1.024 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C(N)=O ZINC001221018971 780270605 /nfs/dbraw/zinc/27/06/05/780270605.db2.gz NLOZFJXCZVBTIU-YUMQZZPRSA-N 1 1 306.388 -2.071 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001221020443 780271136 /nfs/dbraw/zinc/27/11/36/780271136.db2.gz UYSMJVWDFAZWNI-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001221079287 780272258 /nfs/dbraw/zinc/27/22/58/780272258.db2.gz RUGQEYWDRCWDRA-PWSUYJOCSA-N 1 1 324.385 -1.272 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001221075903 780273855 /nfs/dbraw/zinc/27/38/55/780273855.db2.gz XVMFLRCCQGXWCL-AXFHLTTASA-N 1 1 316.402 -1.110 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001221093104 780274656 /nfs/dbraw/zinc/27/46/56/780274656.db2.gz CCHGZRNIDSYJFI-NEPJUHHUSA-N 1 1 310.402 -1.183 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001221093148 780274959 /nfs/dbraw/zinc/27/49/59/780274959.db2.gz DAAYFUZWCNODPN-MNOVXSKESA-N 1 1 311.390 -1.788 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089523 780275692 /nfs/dbraw/zinc/27/56/92/780275692.db2.gz JUHNQGHTQUSWDN-UPJWGTAASA-N 1 1 303.403 -1.505 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089523 780275696 /nfs/dbraw/zinc/27/56/96/780275696.db2.gz JUHNQGHTQUSWDN-UPJWGTAASA-N 1 1 303.403 -1.505 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093824 780275873 /nfs/dbraw/zinc/27/58/73/780275873.db2.gz YTENVENAISPQOJ-OLZOCXBDSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001221091440 780275933 /nfs/dbraw/zinc/27/59/33/780275933.db2.gz OLLIUTMIQSANNM-UPJWGTAASA-N 1 1 314.430 -1.035 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C(C)C ZINC001221130192 780277877 /nfs/dbraw/zinc/27/78/77/780277877.db2.gz ZOXFBHJEZAMDRQ-DYEKYZERSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(C)C ZINC001221130192 780277886 /nfs/dbraw/zinc/27/78/86/780277886.db2.gz ZOXFBHJEZAMDRQ-DYEKYZERSA-N 1 1 301.387 -1.309 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001221105505 780277909 /nfs/dbraw/zinc/27/79/09/780277909.db2.gz MIEBGRGZGNCFAP-PWSUYJOCSA-N 1 1 312.370 -1.465 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167079 780279984 /nfs/dbraw/zinc/27/99/84/780279984.db2.gz AHKQRLKBWQPPQI-BBBLOLIVSA-N 1 1 300.315 -1.840 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167079 780279993 /nfs/dbraw/zinc/27/99/93/780279993.db2.gz AHKQRLKBWQPPQI-BBBLOLIVSA-N 1 1 300.315 -1.840 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001221171414 780280717 /nfs/dbraw/zinc/28/07/17/780280717.db2.gz SYFHCWFRKKVXTJ-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221185273 780282010 /nfs/dbraw/zinc/28/20/10/780282010.db2.gz CWVNVIBMETVPQL-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO NS(=O)(=O)CCCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221216297 780283293 /nfs/dbraw/zinc/28/32/93/780283293.db2.gz OPUXWKPIXJJLCJ-MNOVXSKESA-N 1 1 323.415 -2.011 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221235662 780283442 /nfs/dbraw/zinc/28/34/42/780283442.db2.gz PWCIQECSXDHCPM-JHJVBQTASA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221235662 780283447 /nfs/dbraw/zinc/28/34/47/780283447.db2.gz PWCIQECSXDHCPM-JHJVBQTASA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221232220 780283805 /nfs/dbraw/zinc/28/38/05/780283805.db2.gz HJAGCSFWXNXVQW-JHJVBQTASA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221232220 780283813 /nfs/dbraw/zinc/28/38/13/780283813.db2.gz HJAGCSFWXNXVQW-JHJVBQTASA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221233677 780284060 /nfs/dbraw/zinc/28/40/60/780284060.db2.gz BKUWTWWJUJDFKW-GRYCIOLGSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221233677 780284070 /nfs/dbraw/zinc/28/40/70/780284070.db2.gz BKUWTWWJUJDFKW-GRYCIOLGSA-N 1 1 322.365 -1.540 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221253734 780286451 /nfs/dbraw/zinc/28/64/51/780286451.db2.gz WRHTZEXTNYXBQS-IJLUTSLNSA-N 1 1 310.358 -1.787 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264456 780288725 /nfs/dbraw/zinc/28/87/25/780288725.db2.gz LTPOKRJOXVXTNB-CKYFFXLPSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264456 780288731 /nfs/dbraw/zinc/28/87/31/780288731.db2.gz LTPOKRJOXVXTNB-CKYFFXLPSA-N 1 1 323.397 -1.146 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001221334544 780289999 /nfs/dbraw/zinc/28/99/99/780289999.db2.gz JQUBPOSQZFUEGS-IJLUTSLNSA-N 1 1 315.370 -1.118 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221322127 780290908 /nfs/dbraw/zinc/29/09/08/780290908.db2.gz OWQJADPMSPKGQM-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221322127 780290915 /nfs/dbraw/zinc/29/09/15/780290915.db2.gz OWQJADPMSPKGQM-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348895 780291764 /nfs/dbraw/zinc/29/17/64/780291764.db2.gz PUFQCDUZNXBDJR-MIMYLULJSA-N 1 1 322.369 -1.740 20 0 DAADMO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)c1 ZINC001221405085 780292584 /nfs/dbraw/zinc/29/25/84/780292584.db2.gz PWBYOHVCIFOQBL-XDTLVQLUSA-N 1 1 324.381 -1.365 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221451759 780293574 /nfs/dbraw/zinc/29/35/74/780293574.db2.gz XOFQXNAXAYGEOJ-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221451759 780293582 /nfs/dbraw/zinc/29/35/82/780293582.db2.gz XOFQXNAXAYGEOJ-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221434483 780294112 /nfs/dbraw/zinc/29/41/12/780294112.db2.gz TVVZPDCYNCDMBZ-JHJVBQTASA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221506169 780296517 /nfs/dbraw/zinc/29/65/17/780296517.db2.gz OYEYCKCNJQENCL-OUAUKWLOSA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221506169 780296531 /nfs/dbraw/zinc/29/65/31/780296531.db2.gz OYEYCKCNJQENCL-OUAUKWLOSA-N 1 1 322.365 -1.540 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001221519370 780296781 /nfs/dbraw/zinc/29/67/81/780296781.db2.gz MRCZLQLIQZQHQP-NTZNESFSSA-N 1 1 309.370 -1.031 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001221547645 780296823 /nfs/dbraw/zinc/29/68/23/780296823.db2.gz SNVZPBIZPLJFMT-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221518108 780297268 /nfs/dbraw/zinc/29/72/68/780297268.db2.gz TZPSCPPYZNGQDI-GRYCIOLGSA-N 1 1 313.354 -1.364 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221505725 780297308 /nfs/dbraw/zinc/29/73/08/780297308.db2.gz DHURWAKQPUGNCG-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221505725 780297315 /nfs/dbraw/zinc/29/73/15/780297315.db2.gz DHURWAKQPUGNCG-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221597219 780298997 /nfs/dbraw/zinc/29/89/97/780298997.db2.gz PZHWZWSKRNTPSU-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221597219 780299001 /nfs/dbraw/zinc/29/90/01/780299001.db2.gz PZHWZWSKRNTPSU-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCOC)C[C@H]21 ZINC001221715241 780299247 /nfs/dbraw/zinc/29/92/47/780299247.db2.gz INUIDYHWFRUVFI-GHMZBOCLSA-N 1 1 320.415 -1.781 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221713978 780299319 /nfs/dbraw/zinc/29/93/19/780299319.db2.gz HSNLTCQHEAWTNY-NXEZZACHSA-N 1 1 306.388 -2.435 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221598477 780299685 /nfs/dbraw/zinc/29/96/85/780299685.db2.gz MYVGEDPZSRFWCX-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221598477 780299691 /nfs/dbraw/zinc/29/96/91/780299691.db2.gz MYVGEDPZSRFWCX-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001221770388 780300144 /nfs/dbraw/zinc/30/01/44/780300144.db2.gz LTQOQRLMBANKNX-NQBHXWOUSA-N 1 1 322.365 -1.077 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001221868609 780303169 /nfs/dbraw/zinc/30/31/69/780303169.db2.gz JRBTUVFXGWECID-NTZNESFSSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001221782706 780303206 /nfs/dbraw/zinc/30/32/06/780303206.db2.gz KBERVAGTZOUYMS-QJPTWQEYSA-N 1 1 319.427 -1.031 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221859504 780303653 /nfs/dbraw/zinc/30/36/53/780303653.db2.gz WODBTBNRVWMTRX-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221859504 780303665 /nfs/dbraw/zinc/30/36/65/780303665.db2.gz WODBTBNRVWMTRX-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221958480 780304960 /nfs/dbraw/zinc/30/49/60/780304960.db2.gz TVVZPDCYNCDMBZ-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003654 780305831 /nfs/dbraw/zinc/30/58/31/780305831.db2.gz BQSMDWCIJCIPEK-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003654 780305833 /nfs/dbraw/zinc/30/58/33/780305833.db2.gz BQSMDWCIJCIPEK-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001222007436 780306983 /nfs/dbraw/zinc/30/69/83/780306983.db2.gz XBDGBNXCJOTLNL-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001222044147 780307066 /nfs/dbraw/zinc/30/70/66/780307066.db2.gz QLVRVQQNPVJKDO-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222110388 780307090 /nfs/dbraw/zinc/30/70/90/780307090.db2.gz BAVALGJNWISKPK-JTQLQIEISA-N 1 1 309.374 -1.054 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001222003926 780307371 /nfs/dbraw/zinc/30/73/71/780307371.db2.gz PAKHEGQAJMGAKZ-GMTAPVOTSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001222003926 780307381 /nfs/dbraw/zinc/30/73/81/780307381.db2.gz PAKHEGQAJMGAKZ-GMTAPVOTSA-N 1 1 309.370 -1.534 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003708 780307905 /nfs/dbraw/zinc/30/79/05/780307905.db2.gz DQSHVJXFGWLDKO-IJLUTSLNSA-N 1 1 314.386 -1.415 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001222022450 780308017 /nfs/dbraw/zinc/30/80/17/780308017.db2.gz JLJUNRPYTCBHPM-HBNTYKKESA-N 1 1 305.400 -1.551 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005681 780308112 /nfs/dbraw/zinc/30/81/12/780308112.db2.gz KJGJHUHPZUYBDV-OUAUKWLOSA-N 1 1 311.386 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005681 780308115 /nfs/dbraw/zinc/30/81/15/780308115.db2.gz KJGJHUHPZUYBDV-OUAUKWLOSA-N 1 1 311.386 -1.159 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001222235783 780308917 /nfs/dbraw/zinc/30/89/17/780308917.db2.gz KPGGQQJRUNQLTG-UPJWGTAASA-N 1 1 324.385 -1.397 20 0 DAADMO CC(=O)NCC(=O)NCC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001222274405 780309398 /nfs/dbraw/zinc/30/93/98/780309398.db2.gz GVCZJHJRIFONRH-UHFFFAOYSA-N 1 1 319.427 -1.005 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC(CNC(=O)CNC(N)=O)CC1 ZINC001222342384 780309557 /nfs/dbraw/zinc/30/95/57/780309557.db2.gz HGIIEHFKLQAVGG-UHFFFAOYSA-N 1 1 320.415 -1.473 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222235789 780309879 /nfs/dbraw/zinc/30/98/79/780309879.db2.gz LBKZDXRSOYCICL-OLZOCXBDSA-N 1 1 324.385 -1.395 20 0 DAADMO COC(=O)CN1C[C@H](OCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC001222542475 780310731 /nfs/dbraw/zinc/31/07/31/780310731.db2.gz GCWUZUHLIISFDY-LLVKDONJSA-N 1 1 313.354 -1.449 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001276839469 780312395 /nfs/dbraw/zinc/31/23/95/780312395.db2.gz JECUCGOSGBSPFR-HBNTYKKESA-N 1 1 308.382 -1.046 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)NC(N)=O ZINC001222683272 780313558 /nfs/dbraw/zinc/31/35/58/780313558.db2.gz HQIVVBKQOUSUIK-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)NC(N)=O ZINC001222683272 780313565 /nfs/dbraw/zinc/31/35/65/780313565.db2.gz HQIVVBKQOUSUIK-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001276867697 780314131 /nfs/dbraw/zinc/31/41/31/780314131.db2.gz SPSQXYGQOAOKDS-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CCF)[C@H]2C1 ZINC001223200240 780314547 /nfs/dbraw/zinc/31/45/47/780314547.db2.gz JBMFOZOEPKOCJI-MNOVXSKESA-N 1 1 322.406 -1.068 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)cc1=O ZINC001276867357 780314843 /nfs/dbraw/zinc/31/48/43/780314843.db2.gz LMHDBHRDJBDVBR-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)cc1=O ZINC001276867357 780314852 /nfs/dbraw/zinc/31/48/52/780314852.db2.gz LMHDBHRDJBDVBR-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)n1 ZINC001223277349 780316255 /nfs/dbraw/zinc/31/62/55/780316255.db2.gz JFXNHHKKZSIPTR-NEPJUHHUSA-N 1 1 324.385 -1.245 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 ZINC001223378487 780316642 /nfs/dbraw/zinc/31/66/42/780316642.db2.gz KTTYQKJJEUJWSX-UTUOFQBUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@H]1C[N@H+](C)CCO1 ZINC001223654496 780317418 /nfs/dbraw/zinc/31/74/18/780317418.db2.gz IZCHWOHZFKIFLH-DTWKUNHWSA-N 1 1 311.342 -1.691 20 0 DAADMO C[C@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@H]1C[N@@H+](C)CCO1 ZINC001223654496 780317424 /nfs/dbraw/zinc/31/74/24/780317424.db2.gz IZCHWOHZFKIFLH-DTWKUNHWSA-N 1 1 311.342 -1.691 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC001277022030 780325412 /nfs/dbraw/zinc/32/54/12/780325412.db2.gz IFPJSRUBHZVNQV-CZUORRHYSA-N 1 1 324.425 -1.155 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1CCN1CCOCC1 ZINC001277021517 780325631 /nfs/dbraw/zinc/32/56/31/780325631.db2.gz BNCONYAJELMEPF-NSHDSACASA-N 1 1 308.386 -1.044 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CC[N@H+]1CCN1CCOCC1 ZINC001277021517 780325632 /nfs/dbraw/zinc/32/56/32/780325632.db2.gz BNCONYAJELMEPF-NSHDSACASA-N 1 1 308.386 -1.044 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@@H+]1CCN1CCOCC1 ZINC001277021516 780325820 /nfs/dbraw/zinc/32/58/20/780325820.db2.gz BNCONYAJELMEPF-LLVKDONJSA-N 1 1 308.386 -1.044 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CC[N@H+]1CCN1CCOCC1 ZINC001277021516 780325825 /nfs/dbraw/zinc/32/58/25/780325825.db2.gz BNCONYAJELMEPF-LLVKDONJSA-N 1 1 308.386 -1.044 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC[C@@H]1CCOC1)C(=O)C(N)=O ZINC001280849822 780327458 /nfs/dbraw/zinc/32/74/58/780327458.db2.gz KAGLIQZWEGBJPQ-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001225897227 780329256 /nfs/dbraw/zinc/32/92/56/780329256.db2.gz JJZKLFJKXIIRIE-UHFFFAOYSA-N 1 1 322.325 -1.429 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001225869829 780329293 /nfs/dbraw/zinc/32/92/93/780329293.db2.gz USPPDCGWSRHOKF-IVZWLZJFSA-N 1 1 324.389 -1.216 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225964755 780329321 /nfs/dbraw/zinc/32/93/21/780329321.db2.gz VXETUFHYTFXFIN-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001225847231 780329507 /nfs/dbraw/zinc/32/95/07/780329507.db2.gz ZXEVZPSJWRRHGY-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO NC(=O)NCC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001226002122 780331000 /nfs/dbraw/zinc/33/10/00/780331000.db2.gz LTBLNSUPXRNCOW-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2COCCO2)CC1 ZINC001226127479 780331128 /nfs/dbraw/zinc/33/11/28/780331128.db2.gz FKQPNZVIIYVZAR-SNVBAGLBSA-N 1 1 314.342 -1.823 20 0 DAADMO Cn1nccc1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226403639 780332232 /nfs/dbraw/zinc/33/22/32/780332232.db2.gz FYXMBCYBPTVNLL-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO Cn1cc(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)cn1 ZINC001226462885 780332534 /nfs/dbraw/zinc/33/25/34/780332534.db2.gz GAPMMQASWCXDPQ-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226699235 780335457 /nfs/dbraw/zinc/33/54/57/780335457.db2.gz MVYOZFAIIIUQAZ-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001226935063 780337245 /nfs/dbraw/zinc/33/72/45/780337245.db2.gz YRTDKUQPBSEGCG-UHFFFAOYSA-N 1 1 310.358 -1.300 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cncnc2)CC1 ZINC001226986909 780337290 /nfs/dbraw/zinc/33/72/90/780337290.db2.gz YSRZCYSYSNULRS-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC001227152535 780339389 /nfs/dbraw/zinc/33/93/89/780339389.db2.gz XQHZUVWIKCSMIX-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC001227182618 780339553 /nfs/dbraw/zinc/33/95/53/780339553.db2.gz BADKCCLYFLOLMN-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO CCn1ncc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001227174344 780339633 /nfs/dbraw/zinc/33/96/33/780339633.db2.gz SDSQNARPRBIKRO-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)COC)CC1 ZINC001227487763 780340361 /nfs/dbraw/zinc/34/03/61/780340361.db2.gz NNJXTTINRYBJJB-SNVBAGLBSA-N 1 1 314.386 -1.536 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227482062 780340474 /nfs/dbraw/zinc/34/04/74/780340474.db2.gz YYJCSUUCYDKPAL-VIFPVBQESA-N 1 1 320.415 -1.620 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ccncc2)CC1 ZINC001227480055 780340957 /nfs/dbraw/zinc/34/09/57/780340957.db2.gz CFAJACHYZNOOIK-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001227546740 780342690 /nfs/dbraw/zinc/34/26/90/780342690.db2.gz MLAIIDZLHGFZNL-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)NC)CC1 ZINC001227676040 780342710 /nfs/dbraw/zinc/34/27/10/780342710.db2.gz CYVOENZTOVNWSB-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001227555271 780343056 /nfs/dbraw/zinc/34/30/56/780343056.db2.gz WGYFAYRKEDDFHX-VIFPVBQESA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C(=O)NCC(F)F)CC1 ZINC001228124560 780345920 /nfs/dbraw/zinc/34/59/20/780345920.db2.gz STBXLEBQWQDRCY-SSDOTTSWSA-N 1 1 306.313 -1.178 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C(=O)NCC(F)F)CC1 ZINC001228124561 780346347 /nfs/dbraw/zinc/34/63/47/780346347.db2.gz STBXLEBQWQDRCY-ZETCQYMHSA-N 1 1 306.313 -1.178 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC1CC[NH+](CCO)CC1 ZINC001228024020 780346520 /nfs/dbraw/zinc/34/65/20/780346520.db2.gz RZSJJRRCTDFIOP-UHFFFAOYSA-N 1 1 308.400 -1.380 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228605811 780349629 /nfs/dbraw/zinc/34/96/29/780349629.db2.gz BLBJAKYJVPRYFP-MRVPVSSYSA-N 1 1 313.358 -1.727 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001228864734 780350389 /nfs/dbraw/zinc/35/03/89/780350389.db2.gz PWXQMICKXNQTIA-UHFFFAOYSA-N 1 1 322.325 -1.841 20 0 DAADMO CCCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904380 780352862 /nfs/dbraw/zinc/35/28/62/780352862.db2.gz BVQHHFYNSSKQGP-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1 ZINC001229201940 780354916 /nfs/dbraw/zinc/35/49/16/780354916.db2.gz MNSKDTUDESJGOQ-RKDXNWHRSA-N 1 1 323.357 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 ZINC001229201940 780354927 /nfs/dbraw/zinc/35/49/27/780354927.db2.gz MNSKDTUDESJGOQ-RKDXNWHRSA-N 1 1 323.357 -1.109 20 0 DAADMO Cc1ccn(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001229215115 780355323 /nfs/dbraw/zinc/35/53/23/780355323.db2.gz NIVVAMNODSOPCG-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC1CC[NH+](CCF)CC1 ZINC001229376669 780357383 /nfs/dbraw/zinc/35/73/83/780357383.db2.gz GIKNSJYTMYYAKA-UHFFFAOYSA-N 1 1 310.395 -1.068 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccncn2)CC1 ZINC001229655727 780358768 /nfs/dbraw/zinc/35/87/68/780358768.db2.gz PXIBKDLILNJVJL-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001277434777 780359920 /nfs/dbraw/zinc/35/99/20/780359920.db2.gz HWKQNCZXRBMMCN-UHFFFAOYSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230159654 780360006 /nfs/dbraw/zinc/36/00/06/780360006.db2.gz TXCWATHTEYGGBQ-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159047 780360262 /nfs/dbraw/zinc/36/02/62/780360262.db2.gz COBAHYAVZUDKKA-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)COCc2ncnn2C)CC1 ZINC001229832344 780360668 /nfs/dbraw/zinc/36/06/68/780360668.db2.gz OCKXKYUYDDLAQV-SNVBAGLBSA-N 1 1 324.385 -1.214 20 0 DAADMO Cn1cnnc1COCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229831404 780360719 /nfs/dbraw/zinc/36/07/19/780360719.db2.gz BNVFSVFJCASUPI-UHFFFAOYSA-N 1 1 310.358 -1.602 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)COCc2ncnn2C)CC1 ZINC001229832343 780361175 /nfs/dbraw/zinc/36/11/75/780361175.db2.gz OCKXKYUYDDLAQV-JTQLQIEISA-N 1 1 324.385 -1.214 20 0 DAADMO NC(=O)NCCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230217926 780361624 /nfs/dbraw/zinc/36/16/24/780361624.db2.gz SGRATFPDNKFKOR-UHFFFAOYSA-N 1 1 314.346 -2.180 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001230221831 780361789 /nfs/dbraw/zinc/36/17/89/780361789.db2.gz LHZKAHUTLMRUJW-SECBINFHSA-N 1 1 311.342 -1.960 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001230262596 780362396 /nfs/dbraw/zinc/36/23/96/780362396.db2.gz IQTWPURRGUJIEF-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001230267967 780362838 /nfs/dbraw/zinc/36/28/38/780362838.db2.gz TVLYBSTVZQRJEY-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230190253 780362967 /nfs/dbraw/zinc/36/29/67/780362967.db2.gz ROABWQFWLMJFPI-VIFPVBQESA-N 1 1 323.357 -1.558 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001230641454 780369986 /nfs/dbraw/zinc/36/99/86/780369986.db2.gz NAEOZZFJJQFSTM-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001230641454 780369995 /nfs/dbraw/zinc/36/99/95/780369995.db2.gz NAEOZZFJJQFSTM-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730945 780372459 /nfs/dbraw/zinc/37/24/59/780372459.db2.gz OIZKJOWXKVPABH-NSHDSACASA-N 1 1 302.375 -1.150 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749110 780373218 /nfs/dbraw/zinc/37/32/18/780373218.db2.gz KSUHNYVERYRORE-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749110 780373227 /nfs/dbraw/zinc/37/32/27/780373227.db2.gz KSUHNYVERYRORE-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749782 780373556 /nfs/dbraw/zinc/37/35/56/780373556.db2.gz QOMMBSQDCQIFGO-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749782 780373564 /nfs/dbraw/zinc/37/35/64/780373564.db2.gz QOMMBSQDCQIFGO-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)Cn1cnnn1 ZINC001230753006 780373759 /nfs/dbraw/zinc/37/37/59/780373759.db2.gz OYSKQEMRMMDOAV-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)Cn1cnnn1 ZINC001230753006 780373768 /nfs/dbraw/zinc/37/37/68/780373768.db2.gz OYSKQEMRMMDOAV-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749783 780374392 /nfs/dbraw/zinc/37/43/92/780374392.db2.gz QOMMBSQDCQIFGO-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001230749783 780374401 /nfs/dbraw/zinc/37/44/01/780374401.db2.gz QOMMBSQDCQIFGO-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749108 780374542 /nfs/dbraw/zinc/37/45/42/780374542.db2.gz KSUHNYVERYRORE-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749108 780374547 /nfs/dbraw/zinc/37/45/47/780374547.db2.gz KSUHNYVERYRORE-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)Cn1cnnn1 ZINC001230750225 780374565 /nfs/dbraw/zinc/37/45/65/780374565.db2.gz TZDKONLUSXASFL-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)Cn1cnnn1 ZINC001230750225 780374573 /nfs/dbraw/zinc/37/45/73/780374573.db2.gz TZDKONLUSXASFL-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO NC(=O)C(=O)NCCC[N@H+](Cc1cccnc1)[C@@H]1CCNC1=O ZINC001230835745 780375401 /nfs/dbraw/zinc/37/54/01/780375401.db2.gz UVDPDBSPDRTDIG-GFCCVEGCSA-N 1 1 319.365 -1.236 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](Cc1cccnc1)[C@@H]1CCNC1=O ZINC001230835745 780375412 /nfs/dbraw/zinc/37/54/12/780375412.db2.gz UVDPDBSPDRTDIG-GFCCVEGCSA-N 1 1 319.365 -1.236 20 0 DAADMO CC(=O)NCC(=O)NCCOCC[N@H+](C)[C@H]1CCCNC1=O ZINC001277468777 780375836 /nfs/dbraw/zinc/37/58/36/780375836.db2.gz IMGMSASQKMUTHB-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO CC(=O)NCC(=O)NCCOCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001277468776 780376168 /nfs/dbraw/zinc/37/61/68/780376168.db2.gz IMGMSASQKMUTHB-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001277475685 780377657 /nfs/dbraw/zinc/37/76/57/780377657.db2.gz AKKXMKWZOKWTRF-QWRGUYRKSA-N 1 1 303.359 -1.660 20 0 DAADMO COC[C@H](O)CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001230965616 780377674 /nfs/dbraw/zinc/37/76/74/780377674.db2.gz GXQHQTVREUVMTA-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)OC ZINC001230917593 780377796 /nfs/dbraw/zinc/37/77/96/780377796.db2.gz WUPGGKBVAHLALB-QWRGUYRKSA-N 1 1 303.359 -1.118 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)c1nccnc1N ZINC001277481110 780377823 /nfs/dbraw/zinc/37/78/23/780377823.db2.gz LYJGKSOHCNHOAA-UHFFFAOYSA-N 1 1 324.385 -1.175 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)c1nccnc1N ZINC001277481110 780377832 /nfs/dbraw/zinc/37/78/32/780377832.db2.gz LYJGKSOHCNHOAA-UHFFFAOYSA-N 1 1 324.385 -1.175 20 0 DAADMO CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001231218592 780378722 /nfs/dbraw/zinc/37/87/22/780378722.db2.gz XFBKRXYAPCXYTQ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@H]1CCc2cncn2C1)CC(N)=O ZINC001277501287 780378951 /nfs/dbraw/zinc/37/89/51/780378951.db2.gz OMPYJYXOFTULJK-GFCCVEGCSA-N 1 1 323.397 -1.005 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CCc2cncn2C1)CC(N)=O ZINC001277501287 780378960 /nfs/dbraw/zinc/37/89/60/780378960.db2.gz OMPYJYXOFTULJK-GFCCVEGCSA-N 1 1 323.397 -1.005 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)[C@H]1COC(=O)N1 ZINC001277486645 780379022 /nfs/dbraw/zinc/37/90/22/780379022.db2.gz CIPNWGSDDBCBMQ-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)c1ccc(=O)n(C)c1 ZINC001277501308 780379231 /nfs/dbraw/zinc/37/92/31/780379231.db2.gz PEUPXJJAQICCTQ-UHFFFAOYSA-N 1 1 324.381 -1.191 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)c1ccc(=O)n(C)c1 ZINC001277501308 780379239 /nfs/dbraw/zinc/37/92/39/780379239.db2.gz PEUPXJJAQICCTQ-UHFFFAOYSA-N 1 1 324.381 -1.191 20 0 DAADMO CC(=O)NCCOCC[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231278849 780379251 /nfs/dbraw/zinc/37/92/51/780379251.db2.gz QEFUOYXGQBOGQD-UHFFFAOYSA-N 1 1 316.402 -1.287 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231269543 780380005 /nfs/dbraw/zinc/38/00/05/780380005.db2.gz SXCRDCKBKYMDPC-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cnccn1 ZINC001231365268 780380498 /nfs/dbraw/zinc/38/04/98/780380498.db2.gz OLZYAYMKIDCUHZ-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369753 780380624 /nfs/dbraw/zinc/38/06/24/780380624.db2.gz WAASFNINLMJTJS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231369753 780380633 /nfs/dbraw/zinc/38/06/33/780380633.db2.gz WAASFNINLMJTJS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001277508140 780381107 /nfs/dbraw/zinc/38/11/07/780381107.db2.gz UEFGYDVUDUWUBO-LBPRGKRZSA-N 1 1 301.387 -1.040 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001231401076 780381481 /nfs/dbraw/zinc/38/14/81/780381481.db2.gz ASDUDOBEYNVZIO-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001231401076 780381491 /nfs/dbraw/zinc/38/14/91/780381491.db2.gz ASDUDOBEYNVZIO-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001277503898 780382255 /nfs/dbraw/zinc/38/22/55/780382255.db2.gz HENKHWICXJOCOE-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001277503898 780382260 /nfs/dbraw/zinc/38/22/60/780382260.db2.gz HENKHWICXJOCOE-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001277503898 780382270 /nfs/dbraw/zinc/38/22/70/780382270.db2.gz HENKHWICXJOCOE-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001277503898 780382280 /nfs/dbraw/zinc/38/22/80/780382280.db2.gz HENKHWICXJOCOE-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402318 780382614 /nfs/dbraw/zinc/38/26/14/780382614.db2.gz UGJVTMFNJOFANS-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C(N)=O)Cc1cccc(C(N)=O)c1 ZINC001277521213 780382751 /nfs/dbraw/zinc/38/27/51/780382751.db2.gz UONGGTHPRPZKGB-UHFFFAOYSA-N 1 1 322.365 -1.165 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231401498 780383086 /nfs/dbraw/zinc/38/30/86/780383086.db2.gz KJLZSDBOVQPGIN-LBPRGKRZSA-N 1 1 314.386 -1.453 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001277514085 780383463 /nfs/dbraw/zinc/38/34/63/780383463.db2.gz IJODHYISMXUNOG-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001277514085 780383472 /nfs/dbraw/zinc/38/34/72/780383472.db2.gz IJODHYISMXUNOG-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO Cn1cc(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c(=O)n(C)c1=O ZINC001231770627 780383585 /nfs/dbraw/zinc/38/35/85/780383585.db2.gz PNESRVSMUQIIBE-LLVKDONJSA-N 1 1 308.338 -1.873 20 0 DAADMO Cn1cc(C[N@H+]2CCN3C(=O)COC[C@H]3C2)c(=O)n(C)c1=O ZINC001231770627 780383592 /nfs/dbraw/zinc/38/35/92/780383592.db2.gz PNESRVSMUQIIBE-LLVKDONJSA-N 1 1 308.338 -1.873 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](C[C@@H]1COCCO1)C2 ZINC001277524062 780383878 /nfs/dbraw/zinc/38/38/78/780383878.db2.gz DGVJYFHDXMPCSV-LLVKDONJSA-N 1 1 307.354 -1.012 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402319 780384258 /nfs/dbraw/zinc/38/42/58/780384258.db2.gz UGJVTMFNJOFANS-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCNC1=O ZINC001277515478 780384485 /nfs/dbraw/zinc/38/44/85/780384485.db2.gz YAHAIWWSOFCCDK-JTQLQIEISA-N 1 1 300.359 -2.067 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCNC1=O ZINC001277515478 780384492 /nfs/dbraw/zinc/38/44/92/780384492.db2.gz YAHAIWWSOFCCDK-JTQLQIEISA-N 1 1 300.359 -2.067 20 0 DAADMO Cn1cc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC001231770464 780384576 /nfs/dbraw/zinc/38/45/76/780384576.db2.gz JQPNMOYDBWVRIT-LBPRGKRZSA-N 1 1 308.382 -1.011 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1 ZINC001277530295 780384598 /nfs/dbraw/zinc/38/45/98/780384598.db2.gz AHRZAKOSXVDKLR-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771343 780385095 /nfs/dbraw/zinc/38/50/95/780385095.db2.gz NFTBQJFXWBOGDY-LLVKDONJSA-N 1 1 310.354 -1.627 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771343 780385103 /nfs/dbraw/zinc/38/51/03/780385103.db2.gz NFTBQJFXWBOGDY-LLVKDONJSA-N 1 1 310.354 -1.627 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1C ZINC001231771773 780385238 /nfs/dbraw/zinc/38/52/38/780385238.db2.gz DMUKXPXHEUKQMU-NSHDSACASA-N 1 1 310.354 -1.627 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1C ZINC001231771773 780385247 /nfs/dbraw/zinc/38/52/47/780385247.db2.gz DMUKXPXHEUKQMU-NSHDSACASA-N 1 1 310.354 -1.627 20 0 DAADMO Cn1cc(C[NH+]2CCN(c3ncncn3)CC2)c(=O)n(C)c1=O ZINC001231770959 780385456 /nfs/dbraw/zinc/38/54/56/780385456.db2.gz BOTIXRZDHSVTJM-UHFFFAOYSA-N 1 1 317.353 -1.409 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277632574 780386558 /nfs/dbraw/zinc/38/65/58/780386558.db2.gz WWUTUYVPLSWYLV-UHFFFAOYSA-N 1 1 323.441 -1.391 20 0 DAADMO CN(C)C(=O)CC[NH+]1CC2(CN(S(=O)(=O)N(C)C)C2)C1 ZINC001277636250 780386738 /nfs/dbraw/zinc/38/67/38/780386738.db2.gz HNLKOJBXCKGQRV-UHFFFAOYSA-N 1 1 304.416 -1.111 20 0 DAADMO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CC(N)=O)c1nnnn1C ZINC001277630190 780387159 /nfs/dbraw/zinc/38/71/59/780387159.db2.gz VNYOXOFZPKCGKR-WCBMZHEXSA-N 1 1 309.374 -1.027 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CC(N)=O)c1nnnn1C ZINC001277630188 780387717 /nfs/dbraw/zinc/38/77/17/780387717.db2.gz VNYOXOFZPKCGKR-SCZZXKLOSA-N 1 1 309.374 -1.027 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001233590302 780390364 /nfs/dbraw/zinc/39/03/64/780390364.db2.gz VRSGKZBMEPNMBH-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[N@@H+](CCCNC(=O)C1=COCCO1)CC(=O)NC(N)=O ZINC001233562738 780391030 /nfs/dbraw/zinc/39/10/30/780391030.db2.gz RPEKVKLQKMVYPG-UHFFFAOYSA-N 1 1 300.315 -1.492 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001233570720 780391104 /nfs/dbraw/zinc/39/11/04/780391104.db2.gz FYNCLLCSRCGMST-UHFFFAOYSA-N 1 1 323.353 -1.173 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001233590306 780391167 /nfs/dbraw/zinc/39/11/67/780391167.db2.gz VRSGKZBMEPNMBH-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)C1=COCCO1 ZINC001233562846 780391831 /nfs/dbraw/zinc/39/18/31/780391831.db2.gz UYDSWQYCRXJTJF-VIFPVBQESA-N 1 1 314.342 -1.104 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@H](O)Cn1cccn1 ZINC001233722794 780392090 /nfs/dbraw/zinc/39/20/90/780392090.db2.gz SDDPPTHIHJCQAC-NSHDSACASA-N 1 1 312.374 -1.650 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CC(=O)N1CCOCC1 ZINC001233705155 780392331 /nfs/dbraw/zinc/39/23/31/780392331.db2.gz DNMPKNKEHMOLEQ-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233750679 780392354 /nfs/dbraw/zinc/39/23/54/780392354.db2.gz LQJNQQCNYKNQAA-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233706463 780392662 /nfs/dbraw/zinc/39/26/62/780392662.db2.gz XKBQOKXYOCAOLD-UHFFFAOYSA-N 1 1 316.362 -2.062 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705817 780392918 /nfs/dbraw/zinc/39/29/18/780392918.db2.gz NHIPTIZZLHIJNK-UHFFFAOYSA-N 1 1 317.390 -1.755 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)CN1CCOCC1 ZINC001233749809 780392941 /nfs/dbraw/zinc/39/29/41/780392941.db2.gz DBFCLAVADMLPMX-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CN(CC[N@@H+](C)CCCNC(=O)CNC(N)=O)S(C)(=O)=O ZINC001233712959 780393239 /nfs/dbraw/zinc/39/32/39/780393239.db2.gz GWPDMRQOCBBUHI-UHFFFAOYSA-N 1 1 323.419 -2.016 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COCCN1C ZINC001233705516 780393371 /nfs/dbraw/zinc/39/33/71/780393371.db2.gz CXRPGPCVIYKNBO-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COCCN1C ZINC001233705519 780394136 /nfs/dbraw/zinc/39/41/36/780394136.db2.gz CXRPGPCVIYKNBO-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCN1C(=O)CCC1=O ZINC001233783591 780394974 /nfs/dbraw/zinc/39/49/74/780394974.db2.gz DUCIGACUHCFHFB-UHFFFAOYSA-N 1 1 323.357 -1.740 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233753533 780395775 /nfs/dbraw/zinc/39/57/75/780395775.db2.gz ZMTNTNWGBQHWAB-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CC(=O)NCC1CC1 ZINC001233774766 780396095 /nfs/dbraw/zinc/39/60/95/780396095.db2.gz LOCZABHOJKDZJO-UHFFFAOYSA-N 1 1 309.374 -1.363 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847793 780397228 /nfs/dbraw/zinc/39/72/28/780397228.db2.gz SLOSCEXZSCJYKX-MNOVXSKESA-N 1 1 313.358 -1.476 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846343 780398020 /nfs/dbraw/zinc/39/80/20/780398020.db2.gz GBPHXAWIWISNNP-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846343 780398032 /nfs/dbraw/zinc/39/80/32/780398032.db2.gz GBPHXAWIWISNNP-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847087 780398521 /nfs/dbraw/zinc/39/85/21/780398521.db2.gz MHOJPSHQEHUBGH-GHMZBOCLSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847087 780398529 /nfs/dbraw/zinc/39/85/29/780398529.db2.gz MHOJPSHQEHUBGH-GHMZBOCLSA-N 1 1 324.385 -1.007 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001233857699 780399606 /nfs/dbraw/zinc/39/96/06/780399606.db2.gz TZKRJYNRZPXAHT-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233890053 780399827 /nfs/dbraw/zinc/39/98/27/780399827.db2.gz GEJJSDZJSWGBPW-HBNTYKKESA-N 1 1 302.375 -1.417 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COC(=O)N1 ZINC001233992051 780401261 /nfs/dbraw/zinc/40/12/61/780401261.db2.gz VCZODUPIHIGCPV-MNOVXSKESA-N 1 1 301.343 -1.364 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COC(=O)N1 ZINC001233992052 780401947 /nfs/dbraw/zinc/40/19/47/780401947.db2.gz VCZODUPIHIGCPV-QWRGUYRKSA-N 1 1 301.343 -1.364 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)Cn1cccn1 ZINC001233932257 780401965 /nfs/dbraw/zinc/40/19/65/780401965.db2.gz FWWFZWGBHBYUIE-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cncn1)CC(=O)NC(N)=O ZINC001234019422 780402515 /nfs/dbraw/zinc/40/25/15/780402515.db2.gz HAMFPLMFXGGEBA-UHFFFAOYSA-N 1 1 311.346 -1.699 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001234180424 780404800 /nfs/dbraw/zinc/40/48/00/780404800.db2.gz FSJQOIXSJRJYIV-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001234285666 780405822 /nfs/dbraw/zinc/40/58/22/780405822.db2.gz HSRXNOPGVBPUKS-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)Cn1ncnn1 ZINC001234365064 780406302 /nfs/dbraw/zinc/40/63/02/780406302.db2.gz CICHUPHEEQIVHV-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)Cn1ncnn1 ZINC001234365064 780406309 /nfs/dbraw/zinc/40/63/09/780406309.db2.gz CICHUPHEEQIVHV-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001234284925 780406435 /nfs/dbraw/zinc/40/64/35/780406435.db2.gz DTSOUBQKUXXOAQ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@H+](CCCNC(=O)c1cn[nH]c1)CC(=O)N1CCNC(=O)C1 ZINC001234368994 780407287 /nfs/dbraw/zinc/40/72/87/780407287.db2.gz QNYVQOSYRTZKGY-UHFFFAOYSA-N 1 1 322.369 -1.580 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cn[nH]c1)CC(=O)N1CCNC(=O)C1 ZINC001234368994 780407291 /nfs/dbraw/zinc/40/72/91/780407291.db2.gz QNYVQOSYRTZKGY-UHFFFAOYSA-N 1 1 322.369 -1.580 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378194 780407613 /nfs/dbraw/zinc/40/76/13/780407613.db2.gz NNQWFURYDSMGOS-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378194 780407619 /nfs/dbraw/zinc/40/76/19/780407619.db2.gz NNQWFURYDSMGOS-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)CNC(=O)OC ZINC001234497371 780408629 /nfs/dbraw/zinc/40/86/29/780408629.db2.gz PDSHNVGWYMFNBS-UHFFFAOYSA-N 1 1 317.346 -1.764 20 0 DAADMO COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413986 780408934 /nfs/dbraw/zinc/40/89/34/780408934.db2.gz MQHKAXMGXJBLSX-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234415741 780409015 /nfs/dbraw/zinc/40/90/15/780409015.db2.gz UXCXYRUSWCTCAS-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(=O)C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001234390866 780409090 /nfs/dbraw/zinc/40/90/90/780409090.db2.gz PNXXXYFKIUHCJK-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413258 780409240 /nfs/dbraw/zinc/40/92/40/780409240.db2.gz IBBZSKGGNFGUHX-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO CO[C@H](C)C(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001234593037 780410296 /nfs/dbraw/zinc/41/02/96/780410296.db2.gz DEZIQHUVSYUUJW-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CO[C@H](C)C(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001234593037 780410299 /nfs/dbraw/zinc/41/02/99/780410299.db2.gz DEZIQHUVSYUUJW-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CN(C)S(C)(=O)=O ZINC001234971407 780411832 /nfs/dbraw/zinc/41/18/32/780411832.db2.gz BUYBAOULDMYCNW-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235007774 780413144 /nfs/dbraw/zinc/41/31/44/780413144.db2.gz RHWQQSUDIRLYQS-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235009271 780413248 /nfs/dbraw/zinc/41/32/48/780413248.db2.gz XCHMFVIPOWBBGO-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235002725 780413522 /nfs/dbraw/zinc/41/35/22/780413522.db2.gz DNNOTDPHYWMPSX-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCOCCO ZINC001235050161 780414983 /nfs/dbraw/zinc/41/49/83/780414983.db2.gz CTNKFZLKOACAFE-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](O)COC ZINC001235051441 780415092 /nfs/dbraw/zinc/41/50/92/780415092.db2.gz KXCUQPJLUZXBCL-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)CN1CCCS1(=O)=O ZINC001235093279 780415120 /nfs/dbraw/zinc/41/51/20/780415120.db2.gz YDYRIMMPZXYVSW-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001235055244 780415209 /nfs/dbraw/zinc/41/52/09/780415209.db2.gz ZOLXXLXNCSYMBN-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001235055244 780415211 /nfs/dbraw/zinc/41/52/11/780415211.db2.gz ZOLXXLXNCSYMBN-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cccnc1=O ZINC001277954333 780416109 /nfs/dbraw/zinc/41/61/09/780416109.db2.gz BILDKGVIFPULKE-UPJWGTAASA-N 1 1 322.365 -1.464 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)c1cc(=O)n(C)cn1 ZINC001235487156 780416568 /nfs/dbraw/zinc/41/65/68/780416568.db2.gz DXSRRHJWPHTCFD-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H](C1)O2 ZINC001277955535 780418541 /nfs/dbraw/zinc/41/85/41/780418541.db2.gz RNRFKRCXBANWIT-RWMBFGLXSA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H](C1)O2 ZINC001277955535 780418548 /nfs/dbraw/zinc/41/85/48/780418548.db2.gz RNRFKRCXBANWIT-RWMBFGLXSA-N 1 1 322.365 -1.464 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001235767045 780418840 /nfs/dbraw/zinc/41/88/40/780418840.db2.gz UUXWDJBLKGENGQ-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001278010861 780420987 /nfs/dbraw/zinc/42/09/87/780420987.db2.gz AJQCBTARPPGWHV-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001278010861 780420984 /nfs/dbraw/zinc/42/09/84/780420984.db2.gz AJQCBTARPPGWHV-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@@H]2C1 ZINC001277985932 780421284 /nfs/dbraw/zinc/42/12/84/780421284.db2.gz PWVNBPUFLGDECT-CHWSQXEVSA-N 1 1 323.441 -1.454 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001278006266 780421699 /nfs/dbraw/zinc/42/16/99/780421699.db2.gz CECHDTLGLCDRTD-NWDGAFQWSA-N 1 1 319.365 -1.478 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001278006266 780421705 /nfs/dbraw/zinc/42/17/05/780421705.db2.gz CECHDTLGLCDRTD-NWDGAFQWSA-N 1 1 319.365 -1.478 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001278127711 780429276 /nfs/dbraw/zinc/42/92/76/780429276.db2.gz CZTXOGJORNLUQD-WDEREUQCSA-N 1 1 323.353 -1.812 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001278146532 780431749 /nfs/dbraw/zinc/43/17/49/780431749.db2.gz HCMXPXCJETYINC-SSDOTTSWSA-N 1 1 321.259 -1.453 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278155115 780431938 /nfs/dbraw/zinc/43/19/38/780431938.db2.gz MNSDYJZQWAUIMS-NHYWBVRUSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278154642 780432287 /nfs/dbraw/zinc/43/22/87/780432287.db2.gz GSOSVVVYPCERGA-IINYFYTJSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC1CC1)NC1CC1 ZINC001278179742 780433419 /nfs/dbraw/zinc/43/34/19/780433419.db2.gz VAHITZIJUMVSPZ-LLVKDONJSA-N 1 1 312.370 -2.142 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278420937 780446947 /nfs/dbraw/zinc/44/69/47/780446947.db2.gz QCKGIUUUXRPMDK-ZWNOBZJWSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278420937 780446948 /nfs/dbraw/zinc/44/69/48/780446948.db2.gz QCKGIUUUXRPMDK-ZWNOBZJWSA-N 1 1 317.411 -1.123 20 0 DAADMO COC(=O)[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039479 780448181 /nfs/dbraw/zinc/44/81/81/780448181.db2.gz MWWGFWOEGWJEHI-VXGBXAGGSA-N 1 1 301.387 -1.701 20 0 DAADMO CCOC(=O)C1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CNC1 ZINC001246011729 780448294 /nfs/dbraw/zinc/44/82/94/780448294.db2.gz SZKRJPDPWAKBAB-LLVKDONJSA-N 1 1 301.387 -1.653 20 0 DAADMO COC(=O)C1(N)CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246046357 780449388 /nfs/dbraw/zinc/44/93/88/780449388.db2.gz QXQRNIRTMYANKP-GFCCVEGCSA-N 1 1 315.414 -1.182 20 0 DAADMO COC(=O)[C@@]1(N)CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056435 780449833 /nfs/dbraw/zinc/44/98/33/780449833.db2.gz VPGUEGDCPBYALS-BXUZGUMPSA-N 1 1 301.387 -1.572 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(=O)n3c(n2)CNCCC3)CN1 ZINC001246131999 780450609 /nfs/dbraw/zinc/45/06/09/780450609.db2.gz LSRVUMICKSEYRJ-JQWIXIFHSA-N 1 1 321.381 -1.270 20 0 DAADMO COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CN1 ZINC001246134473 780450635 /nfs/dbraw/zinc/45/06/35/780450635.db2.gz RAJVCGSNJMOGDS-VWYCJHECSA-N 1 1 317.411 -1.601 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CCN1 ZINC001246140918 780451445 /nfs/dbraw/zinc/45/14/45/780451445.db2.gz HCMCGVUOMJDDKX-DCAQKATOSA-N 1 1 317.411 -1.601 20 0 DAADMO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278437896 780452228 /nfs/dbraw/zinc/45/22/28/780452228.db2.gz KKOAZFUFQNZQQY-XPTSAGLGSA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278437896 780452233 /nfs/dbraw/zinc/45/22/33/780452233.db2.gz KKOAZFUFQNZQQY-XPTSAGLGSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C([C@@H]1C[C@@H]([NH2+]C(CCO)CCO)CN1)N1CCSC1 ZINC001246332335 780454461 /nfs/dbraw/zinc/45/44/61/780454461.db2.gz IGOACEPKSRKVIB-NEPJUHHUSA-N 1 1 303.428 -1.027 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1 ZINC001246493770 780454590 /nfs/dbraw/zinc/45/45/90/780454590.db2.gz UAUXQJJYDQMDKG-YUMQZZPRSA-N 1 1 315.330 -3.803 20 0 DAADMO NC(=O)[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCN1 ZINC001246798200 780456987 /nfs/dbraw/zinc/45/69/87/780456987.db2.gz SQVFWSDIWZEHCD-GARJFASQSA-N 1 1 313.427 -1.991 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CCN(C(C)=O)C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246907339 780458104 /nfs/dbraw/zinc/45/81/04/780458104.db2.gz FHLAHRVPKRLBHQ-WOPDTQHZSA-N 1 1 313.354 -1.404 20 0 DAADMO CCS(=O)(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246859377 780458477 /nfs/dbraw/zinc/45/84/77/780458477.db2.gz DJMXXEQOZTWOLL-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CCN(C(C)=O)[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246963892 780458566 /nfs/dbraw/zinc/45/85/66/780458566.db2.gz ZXLKAUNJEWYFAJ-SDDRHHMPSA-N 1 1 313.354 -1.404 20 0 DAADMO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CN2C[C@H]1NCC2 ZINC001247013109 780460168 /nfs/dbraw/zinc/46/01/68/780460168.db2.gz VRYINMWIRLEPJN-FVCCEPFGSA-N 1 1 300.428 -1.344 20 0 DAADMO C[C@H]1[C@H](NC(=O)CC(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001278506674 780461511 /nfs/dbraw/zinc/46/15/11/780461511.db2.gz TZILCIXOVOQPGB-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO CN1CCN(CCC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251002296 780463774 /nfs/dbraw/zinc/46/37/74/780463774.db2.gz BELOYTSMFWOAFA-HNNXBMFYSA-N 1 1 300.447 -1.093 20 0 DAADMO C[C@H](O)CNc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001251957164 780467581 /nfs/dbraw/zinc/46/75/81/780467581.db2.gz NDQINPGHFOIXQS-KUGWDNBSSA-N 1 1 324.337 -1.165 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCCS(C)(=O)=O ZINC001251778822 780467718 /nfs/dbraw/zinc/46/77/18/780467718.db2.gz HGRYTRGVGHYRAS-NSHDSACASA-N 1 1 306.432 -1.034 20 0 DAADMO C[C@H](O)C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001251975404 780467745 /nfs/dbraw/zinc/46/77/45/780467745.db2.gz MREVGHPLHJVDRJ-DLOVCJGASA-N 1 1 309.370 -1.233 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CO)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001252058375 780468516 /nfs/dbraw/zinc/46/85/16/780468516.db2.gz ASWPEZVQNRSUOL-GHYVTOPFSA-N 1 1 322.365 -1.209 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CO)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001252058375 780468518 /nfs/dbraw/zinc/46/85/18/780468518.db2.gz ASWPEZVQNRSUOL-GHYVTOPFSA-N 1 1 322.365 -1.209 20 0 DAADMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C[C@H](O)CO ZINC001252057372 780469091 /nfs/dbraw/zinc/46/90/91/780469091.db2.gz IEEHWTUSLHTZSD-CIQGVGRVSA-N 1 1 302.371 -1.324 20 0 DAADMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C[C@H](O)CO ZINC001252057372 780469096 /nfs/dbraw/zinc/46/90/96/780469096.db2.gz IEEHWTUSLHTZSD-CIQGVGRVSA-N 1 1 302.371 -1.324 20 0 DAADMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](C[C@H](O)CO)C1)N1CCCO1 ZINC001252058930 780469469 /nfs/dbraw/zinc/46/94/69/780469469.db2.gz LPWIYSNBQUOKIK-WUHRBBMRSA-N 1 1 300.355 -1.017 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252414576 780469911 /nfs/dbraw/zinc/46/99/11/780469911.db2.gz KSSMWWCIODESNX-IRCOFANPSA-N 1 1 316.354 -1.676 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252414576 780469917 /nfs/dbraw/zinc/46/99/17/780469917.db2.gz KSSMWWCIODESNX-IRCOFANPSA-N 1 1 316.354 -1.676 20 0 DAADMO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@H](O)C(=O)OC)O1 ZINC001252413022 780470030 /nfs/dbraw/zinc/47/00/30/780470030.db2.gz BBRYJRNKVKSZQS-KXNHARMFSA-N 1 1 316.354 -1.485 20 0 DAADMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C[C@H](O)C(=O)OC)C[C@H]21 ZINC001252415472 780470467 /nfs/dbraw/zinc/47/04/67/780470467.db2.gz PQHNVZHCAMSAHV-NOOOWODRSA-N 1 1 300.355 -1.007 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252414578 780470509 /nfs/dbraw/zinc/47/05/09/780470509.db2.gz KSSMWWCIODESNX-WHOHXGKFSA-N 1 1 316.354 -1.676 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252414578 780470513 /nfs/dbraw/zinc/47/05/13/780470513.db2.gz KSSMWWCIODESNX-WHOHXGKFSA-N 1 1 316.354 -1.676 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001252412981 780470579 /nfs/dbraw/zinc/47/05/79/780470579.db2.gz ASSWBRXUMJBLPY-WOPDTQHZSA-N 1 1 308.338 -1.100 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001252412981 780470582 /nfs/dbraw/zinc/47/05/82/780470582.db2.gz ASSWBRXUMJBLPY-WOPDTQHZSA-N 1 1 308.338 -1.100 20 0 DAADMO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@H](O)C(=O)OC)O1 ZINC001252413020 780470642 /nfs/dbraw/zinc/47/06/42/780470642.db2.gz BBRYJRNKVKSZQS-KKOKHZNYSA-N 1 1 316.354 -1.485 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001252419575 780470654 /nfs/dbraw/zinc/47/06/54/780470654.db2.gz ZTJWMDHRIKUABC-ZMLRMANQSA-N 1 1 308.338 -1.151 20 0 DAADMO COC(=O)[C@@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252452488 780471948 /nfs/dbraw/zinc/47/19/48/780471948.db2.gz OIKYWXJTHAIGPD-RYUDHWBXSA-N 1 1 323.349 -1.677 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252820350 780473512 /nfs/dbraw/zinc/47/35/12/780473512.db2.gz NANBTBMNELNWEM-QWHCGFSZSA-N 1 1 313.398 -1.138 20 0 DAADMO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@H](O)COC)O1 ZINC001252815382 780473818 /nfs/dbraw/zinc/47/38/18/780473818.db2.gz PMNACMKYMMXDNK-LOWDOPEQSA-N 1 1 302.371 -1.012 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252818517 780473933 /nfs/dbraw/zinc/47/39/33/780473933.db2.gz SKFOLFKGCWFOAV-UONOGXRCSA-N 1 1 302.371 -1.057 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(N2C(=O)N[C@H](CO)C2=O)CC1 ZINC000349225431 780474811 /nfs/dbraw/zinc/47/48/11/780474811.db2.gz BREQOUUGIYDVHT-LLVKDONJSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc[n+]([O-])cc2)[nH]1 ZINC001278718431 780475116 /nfs/dbraw/zinc/47/51/16/780475116.db2.gz DYLFNUNYRJDVRX-GFCCVEGCSA-N 1 1 320.353 -1.031 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001253026557 780475242 /nfs/dbraw/zinc/47/52/42/780475242.db2.gz HZVQKKJCGWJRJO-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](CC3(O)CCOCC3)C[C@H]21 ZINC001252961036 780475280 /nfs/dbraw/zinc/47/52/80/780475280.db2.gz DUIPLMOVESVWGX-OLZOCXBDSA-N 1 1 313.398 -1.341 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)n[nH]1 ZINC001278730850 780476286 /nfs/dbraw/zinc/47/62/86/780476286.db2.gz HIAJBIQLXDHSOB-LLVKDONJSA-N 1 1 324.385 -1.234 20 0 DAADMO O=C(NCC1([NH2+]Cc2cnon2)CCOCC1)[C@H]1CCNC1=O ZINC001278719016 780476374 /nfs/dbraw/zinc/47/63/74/780476374.db2.gz YEZNGHCKRDVOGT-NSHDSACASA-N 1 1 323.353 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C(N)=O)C1 ZINC001278747760 780478814 /nfs/dbraw/zinc/47/88/14/780478814.db2.gz SYXGDPXUBLVZKT-BDAKNGLRSA-N 1 1 309.313 -1.448 20 0 DAADMO CC[NH+](CC)Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 ZINC001254110797 780481290 /nfs/dbraw/zinc/48/12/90/780481290.db2.gz HUGNOHJZDFDROT-KSSYENDESA-N 1 1 316.358 -1.908 20 0 DAADMO CC[NH+](CC)Cc1cn([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nn1 ZINC001254113602 780482626 /nfs/dbraw/zinc/48/26/26/780482626.db2.gz BGXCIRCVSHMZFB-VEGXAWMVSA-N 1 1 316.358 -1.908 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766325 780483447 /nfs/dbraw/zinc/48/34/47/780483447.db2.gz IVIGRIJZQJOTCY-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766325 780483453 /nfs/dbraw/zinc/48/34/53/780483453.db2.gz IVIGRIJZQJOTCY-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001278766922 780483967 /nfs/dbraw/zinc/48/39/67/780483967.db2.gz OQUUQRVOMAOGHK-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001278766922 780483970 /nfs/dbraw/zinc/48/39/70/780483970.db2.gz OQUUQRVOMAOGHK-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001278766920 780484156 /nfs/dbraw/zinc/48/41/56/780484156.db2.gz OQUUQRVOMAOGHK-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001278766920 780484162 /nfs/dbraw/zinc/48/41/62/780484162.db2.gz OQUUQRVOMAOGHK-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001254117709 780484350 /nfs/dbraw/zinc/48/43/50/780484350.db2.gz UXQQSCNRWJXDKY-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254326437 780485046 /nfs/dbraw/zinc/48/50/46/780485046.db2.gz DEVYVPCUGLLIDW-SSDOTTSWSA-N 1 1 306.344 -3.519 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C(N)=O)C(N)=O)CC1=O ZINC001254234267 780485121 /nfs/dbraw/zinc/48/51/21/780485121.db2.gz YGXOZBFBHZTQEH-ZETCQYMHSA-N 1 1 314.342 -1.159 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001254333512 780485167 /nfs/dbraw/zinc/48/51/67/780485167.db2.gz QXUHKNPQYUCACS-UTUOFQBUSA-N 1 1 317.411 -1.696 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001254333512 780485171 /nfs/dbraw/zinc/48/51/71/780485171.db2.gz QXUHKNPQYUCACS-UTUOFQBUSA-N 1 1 317.411 -1.696 20 0 DAADMO CC(C)C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)NCC(N)=O ZINC001254327004 780485545 /nfs/dbraw/zinc/48/55/45/780485545.db2.gz POCTVRLDEAPCQN-UWVGGRQHSA-N 1 1 305.400 -1.221 20 0 DAADMO CCOC(=O)CN1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001254401473 780486447 /nfs/dbraw/zinc/48/64/47/780486447.db2.gz NYDSZRMKIHDNKO-IHRRRGAJSA-N 1 1 312.418 -1.994 20 0 DAADMO CC[C@@]1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001278786465 780487379 /nfs/dbraw/zinc/48/73/79/780487379.db2.gz CZEJCJFDCGYLKZ-ZIAGYGMSSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001278786465 780487382 /nfs/dbraw/zinc/48/73/82/780487382.db2.gz CZEJCJFDCGYLKZ-ZIAGYGMSSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@]1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001278786464 780487404 /nfs/dbraw/zinc/48/74/04/780487404.db2.gz CZEJCJFDCGYLKZ-UONOGXRCSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001278786464 780487408 /nfs/dbraw/zinc/48/74/08/780487408.db2.gz CZEJCJFDCGYLKZ-UONOGXRCSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@]1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001278786463 780487559 /nfs/dbraw/zinc/48/75/59/780487559.db2.gz CZEJCJFDCGYLKZ-KGLIPLIRSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001278786463 780487563 /nfs/dbraw/zinc/48/75/63/780487563.db2.gz CZEJCJFDCGYLKZ-KGLIPLIRSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001278787671 780487577 /nfs/dbraw/zinc/48/75/77/780487577.db2.gz ULTPWUUXJZFUSW-ZANVPECISA-N 1 1 316.333 -1.503 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001278799523 780490289 /nfs/dbraw/zinc/49/02/89/780490289.db2.gz CUFRFSAIAUVVOJ-ZDUSSCGKSA-N 1 1 322.369 -1.903 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278815491 780492027 /nfs/dbraw/zinc/49/20/27/780492027.db2.gz FIEZIJVLHQECTQ-CYBMUJFWSA-N 1 1 313.358 -2.091 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278815491 780492032 /nfs/dbraw/zinc/49/20/32/780492032.db2.gz FIEZIJVLHQECTQ-CYBMUJFWSA-N 1 1 313.358 -2.091 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278815491 780492038 /nfs/dbraw/zinc/49/20/38/780492038.db2.gz FIEZIJVLHQECTQ-CYBMUJFWSA-N 1 1 313.358 -2.091 20 0 DAADMO OC[C@H]1O[C@@H](O)[C@H](N[C@H]2CC3CC[NH+](CC3)C2)[C@@H](O)[C@@H]1O ZINC001254841831 780492330 /nfs/dbraw/zinc/49/23/30/780492330.db2.gz BCVKDOHDAJCZBR-YHBOFVJASA-N 1 1 302.371 -2.140 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278823050 780494148 /nfs/dbraw/zinc/49/41/48/780494148.db2.gz WQPLJEBXOAGQKL-CYBMUJFWSA-N 1 1 313.358 -2.160 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC001255318829 780497302 /nfs/dbraw/zinc/49/73/02/780497302.db2.gz PZCCJHDFGNXYDP-UHFFFAOYSA-N 1 1 322.369 -1.139 20 0 DAADMO Cc1nccnc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278852226 780497731 /nfs/dbraw/zinc/49/77/31/780497731.db2.gz ZDSDEWSPACVHLT-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO Cc1nccnc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278852226 780497736 /nfs/dbraw/zinc/49/77/36/780497736.db2.gz ZDSDEWSPACVHLT-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO[C@H]1CC1(F)F)C(=O)C(N)=O ZINC001278868410 780498687 /nfs/dbraw/zinc/49/86/87/780498687.db2.gz BFOZEFZAAVULJQ-BDAKNGLRSA-N 1 1 309.313 -1.353 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278874152 780501150 /nfs/dbraw/zinc/50/11/50/780501150.db2.gz UVVLDZLPIUNTIV-WCBMZHEXSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278874152 780501155 /nfs/dbraw/zinc/50/11/55/780501155.db2.gz UVVLDZLPIUNTIV-WCBMZHEXSA-N 1 1 300.359 -2.110 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1C(=O)CN(C)C1=O ZINC001278882583 780502693 /nfs/dbraw/zinc/50/26/93/780502693.db2.gz KACNMKYKRXFSFJ-SNVBAGLBSA-N 1 1 316.358 -2.376 20 0 DAADMO COCCCC[NH+]1CC(O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001278883313 780503361 /nfs/dbraw/zinc/50/33/61/780503361.db2.gz IZPVCGKPQFGPDL-UHFFFAOYSA-N 1 1 323.340 -1.043 20 0 DAADMO NC(=O)C1(C(=O)NCC2(O)C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001278903729 780504959 /nfs/dbraw/zinc/50/49/59/780504959.db2.gz QNXDEOWWYCFAME-NSHDSACASA-N 1 1 311.382 -1.159 20 0 DAADMO O=C(NCC1(O)C[NH+](CCCCCF)C1)[C@@H]1CNC(=O)N1 ZINC001278900338 780506055 /nfs/dbraw/zinc/50/60/55/780506055.db2.gz QYMCTJJDZXWSKG-JTQLQIEISA-N 1 1 302.350 -1.030 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025932 780506092 /nfs/dbraw/zinc/50/60/92/780506092.db2.gz OSONAURCQABZAM-NEPJUHHUSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025932 780506098 /nfs/dbraw/zinc/50/60/98/780506098.db2.gz OSONAURCQABZAM-NEPJUHHUSA-N 1 1 315.370 -1.116 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001256233468 780507452 /nfs/dbraw/zinc/50/74/52/780507452.db2.gz TWVRQELRICKUGQ-CQSZACIVSA-N 1 1 310.354 -1.091 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001256233466 780508203 /nfs/dbraw/zinc/50/82/03/780508203.db2.gz TWVRQELRICKUGQ-AWEZNQCLSA-N 1 1 310.354 -1.091 20 0 DAADMO C[C@@H](CC(=O)N1CCOCC1)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001256345048 780509369 /nfs/dbraw/zinc/50/93/69/780509369.db2.gz SQSWVMWSNOEQML-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@](F)(CO)C1 ZINC001256813994 780510880 /nfs/dbraw/zinc/51/08/80/780510880.db2.gz NLPCLKKPSKSDTF-CQSZACIVSA-N 1 1 317.361 -1.242 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ncnn1C ZINC001256813310 780510891 /nfs/dbraw/zinc/51/08/91/780510891.db2.gz JNSOETPYYCNFRT-LLVKDONJSA-N 1 1 324.385 -1.169 20 0 DAADMO CS(=O)(=O)N1CCC([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001257239973 780513024 /nfs/dbraw/zinc/51/30/24/780513024.db2.gz KBLKFPCUHCNMBM-UHFFFAOYSA-N 1 1 304.416 -1.487 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCCS(C)(=O)=O ZINC001257307438 780514499 /nfs/dbraw/zinc/51/44/99/780514499.db2.gz WUCJVCCFDHVVCV-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001257581430 780515421 /nfs/dbraw/zinc/51/54/21/780515421.db2.gz NLHKZKJNGSWPQH-RYUDHWBXSA-N 1 1 322.369 -1.626 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(C(C)(C)O)C1 ZINC001257603874 780515489 /nfs/dbraw/zinc/51/54/89/780515489.db2.gz LKZFYMDBIVCACM-UHFFFAOYSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCN(C)C1=O)C[C@H](C)O ZINC001279050738 780515560 /nfs/dbraw/zinc/51/55/60/780515560.db2.gz XLYQUZGEIQAAEA-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNC(=O)CC1 ZINC001257596128 780515799 /nfs/dbraw/zinc/51/57/99/780515799.db2.gz PLSDMTCUMSANHW-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO COC(=O)[C@@H]1CC[C@@H]([NH2+]C(C(N)=O)C(N)=O)C[C@H]1C(=O)OC ZINC001257721733 780516233 /nfs/dbraw/zinc/51/62/33/780516233.db2.gz CLNYFBOTGUWHSS-BWZBUEFSSA-N 1 1 315.326 -1.954 20 0 DAADMO COCC[N@H+](CCNC(=O)COC)[C@@H]1CCC(=O)NC1=O ZINC001279040887 780516359 /nfs/dbraw/zinc/51/63/59/780516359.db2.gz ONXNZXGNFNJEQN-SNVBAGLBSA-N 1 1 301.343 -1.497 20 0 DAADMO COCC[N@@H+](CCNC(=O)COC)[C@@H]1CCC(=O)NC1=O ZINC001279040887 780516363 /nfs/dbraw/zinc/51/63/63/780516363.db2.gz ONXNZXGNFNJEQN-SNVBAGLBSA-N 1 1 301.343 -1.497 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(F)(F)C[C@H]1CO ZINC001257605104 780516438 /nfs/dbraw/zinc/51/64/38/780516438.db2.gz VWPLQLFXJXZGME-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCN(C)C1=O)C[C@@H](C)O ZINC001279050740 780517040 /nfs/dbraw/zinc/51/70/40/780517040.db2.gz XLYQUZGEIQAAEA-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](O)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001258382330 780521191 /nfs/dbraw/zinc/52/11/91/780521191.db2.gz HCPGPRXDIOLIFI-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@H](O)CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001258382328 780521669 /nfs/dbraw/zinc/52/16/69/780521669.db2.gz HCPGPRXDIOLIFI-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO C[NH+](C)CCN1CCN(S(=O)(=O)CS(C)(=O)=O)CC1 ZINC001260583777 780531853 /nfs/dbraw/zinc/53/18/53/780531853.db2.gz NCNYDKBQVLQFSS-UHFFFAOYSA-N 1 1 313.445 -1.503 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001261131572 780536277 /nfs/dbraw/zinc/53/62/77/780536277.db2.gz LFDBSXGRNVXDRD-QWRGUYRKSA-N 1 1 310.354 -1.452 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001261203433 780539206 /nfs/dbraw/zinc/53/92/06/780539206.db2.gz ZTRNRCPVYPJTTP-WDEREUQCSA-N 1 1 322.369 -1.189 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001281069196 780546621 /nfs/dbraw/zinc/54/66/21/780546621.db2.gz OITFRUOYTTWNQY-QWRGUYRKSA-N 1 1 314.386 -1.672 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](O)C[C@H]1COC ZINC001261534709 780547842 /nfs/dbraw/zinc/54/78/42/780547842.db2.gz XGZVSVXDPWPALF-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261551515 780548983 /nfs/dbraw/zinc/54/89/83/780548983.db2.gz MSLJOLOEPSJTKL-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001261562902 780549729 /nfs/dbraw/zinc/54/97/29/780549729.db2.gz YHWNBTVJTQOCTF-AAEUAGOBSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCOCC1 ZINC001261604102 780550033 /nfs/dbraw/zinc/55/00/33/780550033.db2.gz DFKSBXWOIKBNAQ-ZDUSSCGKSA-N 1 1 311.382 -1.097 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001261622344 780550653 /nfs/dbraw/zinc/55/06/53/780550653.db2.gz VXKCDUFOXDUIGI-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001261623775 780551052 /nfs/dbraw/zinc/55/10/52/780551052.db2.gz GSWQTDQWNPROBY-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001261634496 780552364 /nfs/dbraw/zinc/55/23/64/780552364.db2.gz ILFWXDUPFCOLIS-DTWKUNHWSA-N 1 1 318.324 -1.176 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001261644294 780553141 /nfs/dbraw/zinc/55/31/41/780553141.db2.gz WXNJZZQVXKKQQQ-NEPJUHHUSA-N 1 1 300.403 -1.124 20 0 DAADMO CN1CC(=O)N(CCCC(=O)NCC[N@H+]2CC[C@H](O)C2)C1=O ZINC001261839958 780560977 /nfs/dbraw/zinc/56/09/77/780560977.db2.gz SFGOUWMODLZRAO-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001262008699 780565323 /nfs/dbraw/zinc/56/53/23/780565323.db2.gz VRSVSCVFCYBPPH-JTQLQIEISA-N 1 1 320.353 -1.213 20 0 DAADMO CN1CCC[N@H+](CCCNCc2cn(CC(N)=O)nn2)CC1 ZINC001262109666 780566592 /nfs/dbraw/zinc/56/65/92/780566592.db2.gz BKZDEWJZPACHRA-UHFFFAOYSA-N 1 1 309.418 -1.119 20 0 DAADMO CN1CCC[N@@H+](CCCNCc2cn(CC(N)=O)nn2)CC1 ZINC001262109666 780566603 /nfs/dbraw/zinc/56/66/03/780566603.db2.gz BKZDEWJZPACHRA-UHFFFAOYSA-N 1 1 309.418 -1.119 20 0 DAADMO CCOC(=O)[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC001262520101 780572925 /nfs/dbraw/zinc/57/29/25/780572925.db2.gz FRRDNLQSPDPJGR-MRVPVSSYSA-N 1 1 323.296 -1.513 20 0 DAADMO O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001262545993 780573826 /nfs/dbraw/zinc/57/38/26/780573826.db2.gz MYFXMGUXWQHUEZ-UONOGXRCSA-N 1 1 324.425 -1.088 20 0 DAADMO CN(CCC[NH2+]C[C@H](O)CN1CCN(C)CC1)S(C)(=O)=O ZINC001262557569 780575326 /nfs/dbraw/zinc/57/53/26/780575326.db2.gz GFTKOWQMMGIBHG-ZDUSSCGKSA-N 1 1 322.475 -1.534 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001263818901 780578703 /nfs/dbraw/zinc/57/87/03/780578703.db2.gz JCBXAFFLJNIAFB-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001263818900 780579327 /nfs/dbraw/zinc/57/93/27/780579327.db2.gz JCBXAFFLJNIAFB-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001299741226 780579604 /nfs/dbraw/zinc/57/96/04/780579604.db2.gz ADRWRUCLSMGMTK-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCO)CCOCCO ZINC001263866363 780580309 /nfs/dbraw/zinc/58/03/09/780580309.db2.gz LITYMCRSVMFEIT-STQMWFEESA-N 1 1 301.387 -1.796 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCO)CCOCCO ZINC001263866362 780580520 /nfs/dbraw/zinc/58/05/20/780580520.db2.gz LITYMCRSVMFEIT-QWHCGFSZSA-N 1 1 301.387 -1.796 20 0 DAADMO C=CC(=O)N(C)CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001263994708 780581434 /nfs/dbraw/zinc/58/14/34/780581434.db2.gz ZXMJWLMBBHNEJU-SWLSCSKDSA-N 1 1 311.382 -1.027 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001264085725 780581537 /nfs/dbraw/zinc/58/15/37/780581537.db2.gz VLHYCTVPHRHSLY-BDAKNGLRSA-N 1 1 311.342 -2.163 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CC(N)=O ZINC001264104941 780581816 /nfs/dbraw/zinc/58/18/16/780581816.db2.gz RCFWGERXFHTFGY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCNS(C)(=O)=O ZINC001264062293 780582062 /nfs/dbraw/zinc/58/20/62/780582062.db2.gz YWGKXESAMMDZIB-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCNS(C)(=O)=O ZINC001264062293 780582066 /nfs/dbraw/zinc/58/20/66/780582066.db2.gz YWGKXESAMMDZIB-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001264180770 780582682 /nfs/dbraw/zinc/58/26/82/780582682.db2.gz PUPAJTHZOHOJOE-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001264180770 780582684 /nfs/dbraw/zinc/58/26/84/780582684.db2.gz PUPAJTHZOHOJOE-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CNC(=O)N1 ZINC001264368740 780584619 /nfs/dbraw/zinc/58/46/19/780584619.db2.gz KXDUHJNUNRBWJP-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001264380479 780584751 /nfs/dbraw/zinc/58/47/51/780584751.db2.gz KEKRNUZRGYRZLO-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001280821364 780586662 /nfs/dbraw/zinc/58/66/62/780586662.db2.gz GUFWLVSIOXQPEM-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(=O)N2CCC2)C1 ZINC001264635184 780586704 /nfs/dbraw/zinc/58/67/04/780586704.db2.gz XSVMZBWGAYCVDP-LLVKDONJSA-N 1 1 312.370 -2.011 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(=O)N2CCC2)C1 ZINC001264635184 780586707 /nfs/dbraw/zinc/58/67/07/780586707.db2.gz XSVMZBWGAYCVDP-LLVKDONJSA-N 1 1 312.370 -2.011 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCNC1=O ZINC001264666250 780587740 /nfs/dbraw/zinc/58/77/40/780587740.db2.gz JPABIDNAJWQJEE-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716567 780588015 /nfs/dbraw/zinc/58/80/15/780588015.db2.gz OXMNRTBZJVDBBO-MXWKQRLJSA-N 1 1 303.359 -1.925 20 0 DAADMO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CC(N)=O)CC1 ZINC001264756367 780588156 /nfs/dbraw/zinc/58/81/56/780588156.db2.gz FCOWUUBKYAKUBC-GFCCVEGCSA-N 1 1 317.386 -1.846 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001264970510 780588228 /nfs/dbraw/zinc/58/82/28/780588228.db2.gz URQJUWGOUILAJW-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001264970510 780588231 /nfs/dbraw/zinc/58/82/31/780588231.db2.gz URQJUWGOUILAJW-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)CC(N)=O)CC1 ZINC001264756656 780588259 /nfs/dbraw/zinc/58/82/59/780588259.db2.gz ZTYIVIYPKAFVPL-UHFFFAOYSA-N 1 1 314.386 -1.765 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1nnc[nH]1)[C@H]1CCC(=O)NC1=O ZINC001264974806 780588299 /nfs/dbraw/zinc/58/82/99/780588299.db2.gz NAUZOIUCECDULI-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1nc[nH]n1)[C@H]1CCC(=O)NC1=O ZINC001264974806 780588302 /nfs/dbraw/zinc/58/83/02/780588302.db2.gz NAUZOIUCECDULI-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1nc[nH]n1)[C@H]1CCC(=O)NC1=O ZINC001264974806 780588305 /nfs/dbraw/zinc/58/83/05/780588305.db2.gz NAUZOIUCECDULI-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264714119 780588315 /nfs/dbraw/zinc/58/83/15/780588315.db2.gz PIRICALWGRCGEF-VGMNWLOBSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC(=O)NC(N)=O ZINC001264714119 780588321 /nfs/dbraw/zinc/58/83/21/780588321.db2.gz PIRICALWGRCGEF-VGMNWLOBSA-N 1 1 311.342 -2.104 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001264871795 780588361 /nfs/dbraw/zinc/58/83/61/780588361.db2.gz MKKDDYKSOAFAAF-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC001264687077 780588463 /nfs/dbraw/zinc/58/84/63/780588463.db2.gz GILWRHMEUCRRBG-PWSUYJOCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]1CCOCCO ZINC001264716290 780588759 /nfs/dbraw/zinc/58/87/59/780588759.db2.gz CSVRNVWTTKCVMQ-MNOVXSKESA-N 1 1 310.354 -1.029 20 0 DAADMO Cc1cncn1CC(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001265012759 780589483 /nfs/dbraw/zinc/58/94/83/780589483.db2.gz PKYAXFNIYBYAGK-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001265005928 780589724 /nfs/dbraw/zinc/58/97/24/780589724.db2.gz PEMLWFGQCFRMIC-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@]1(C)CCNC1=O ZINC001265035793 780590191 /nfs/dbraw/zinc/59/01/91/780590191.db2.gz RLUXXHOTSHVXGE-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001264996656 780590200 /nfs/dbraw/zinc/59/02/00/780590200.db2.gz NBAWCUQKBLPYNN-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001265021167 780590398 /nfs/dbraw/zinc/59/03/98/780590398.db2.gz GZTCDOFFGJOBEX-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc2cc(C(=O)NCCC[N@@H+](C)CC(N)=O)cnc21 ZINC001265012598 780590938 /nfs/dbraw/zinc/59/09/38/780590938.db2.gz JTFLMFMFXJPLOZ-UHFFFAOYSA-N 1 1 305.342 -1.100 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC001265174806 780593402 /nfs/dbraw/zinc/59/34/02/780593402.db2.gz KHJBGZOVNIPGLH-LBPRGKRZSA-N 1 1 309.370 -1.300 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001265170778 780593447 /nfs/dbraw/zinc/59/34/47/780593447.db2.gz ACSKOMPAONWTDQ-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nncc1C[N@H+](CCCNC(=O)Cn1cnnn1)C1CC1 ZINC001265152326 780593755 /nfs/dbraw/zinc/59/37/55/780593755.db2.gz VQXHWCDBRFURRB-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@@H+](CCCNC(=O)Cn1cnnn1)C1CC1 ZINC001265152326 780593759 /nfs/dbraw/zinc/59/37/59/780593759.db2.gz VQXHWCDBRFURRB-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001265171593 780593917 /nfs/dbraw/zinc/59/39/17/780593917.db2.gz UFORZOANGINKRJ-KOLCDFICSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001265171592 780594065 /nfs/dbraw/zinc/59/40/65/780594065.db2.gz UFORZOANGINKRJ-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCCC[N@H+](CCO)C1CC1 ZINC001265167519 780594088 /nfs/dbraw/zinc/59/40/88/780594088.db2.gz RSIQJRLNOMPXBU-UHFFFAOYSA-N 1 1 310.354 -1.088 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001265164693 780594132 /nfs/dbraw/zinc/59/41/32/780594132.db2.gz QSBBOOJCSOHXHW-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCC(=O)NCCC[NH+]1CCN(CC(=O)NC(=O)NC)CC1 ZINC001265236814 780594277 /nfs/dbraw/zinc/59/42/77/780594277.db2.gz CFFYQNOGPTVJRW-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCOCC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001265221184 780594390 /nfs/dbraw/zinc/59/43/90/780594390.db2.gz WRQFZSUZKKIPER-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2nonc2C)CC1 ZINC001265254317 780595249 /nfs/dbraw/zinc/59/52/49/780595249.db2.gz GWWBZTIJBQPRFQ-UHFFFAOYSA-N 1 1 324.385 -1.138 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)C2=COCCO2)CC1 ZINC001265238909 780595642 /nfs/dbraw/zinc/59/56/42/780595642.db2.gz VFKHQTBARHUQHJ-UHFFFAOYSA-N 1 1 312.370 -1.516 20 0 DAADMO COCC(=O)NCCC[NH+]1CCN(CC(=O)NC(N)=O)CC1 ZINC001265237016 780596281 /nfs/dbraw/zinc/59/62/81/780596281.db2.gz KVIARYQCRYJWGB-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCC[NH+]1CCN([C@@H](C)C(N)=O)CC1 ZINC001265247197 780596320 /nfs/dbraw/zinc/59/63/20/780596320.db2.gz FDKVVFXFYHILQD-NSHDSACASA-N 1 1 323.401 -1.276 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001265289884 780598334 /nfs/dbraw/zinc/59/83/34/780598334.db2.gz FANIKGUSAWMNRL-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001265308370 780598805 /nfs/dbraw/zinc/59/88/05/780598805.db2.gz RGSOBJPBSFUIAS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308370 780598813 /nfs/dbraw/zinc/59/88/13/780598813.db2.gz RGSOBJPBSFUIAS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308370 780598824 /nfs/dbraw/zinc/59/88/24/780598824.db2.gz RGSOBJPBSFUIAS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001265307959 780599562 /nfs/dbraw/zinc/59/95/62/780599562.db2.gz JFDMUDUSLMSWGY-MNOVXSKESA-N 1 1 313.354 -1.763 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001265301560 780599682 /nfs/dbraw/zinc/59/96/82/780599682.db2.gz NFWWBIGILPDHEI-MNOVXSKESA-N 1 1 300.359 -1.479 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001265319078 780599881 /nfs/dbraw/zinc/59/98/81/780599881.db2.gz HTXOBLSJPTUQBA-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)ccc1=O ZINC001265315292 780600003 /nfs/dbraw/zinc/60/00/03/780600003.db2.gz SVPVNUMTPXBAPP-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265395023 780600566 /nfs/dbraw/zinc/60/05/66/780600566.db2.gz NMIQVNIKJZRHKG-LLVKDONJSA-N 1 1 324.381 -1.209 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001265548128 780604427 /nfs/dbraw/zinc/60/44/27/780604427.db2.gz PZXZUZFLBANAED-DTORHVGOSA-N 1 1 316.387 -1.406 20 0 DAADMO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265561956 780604984 /nfs/dbraw/zinc/60/49/84/780604984.db2.gz PUHARPBGOMUDKQ-PHIMTYICSA-N 1 1 310.358 -1.192 20 0 DAADMO CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001265561956 780604987 /nfs/dbraw/zinc/60/49/87/780604987.db2.gz PUHARPBGOMUDKQ-PHIMTYICSA-N 1 1 310.358 -1.192 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1COC(=O)N1)CCN1CCNC1=O ZINC001265837775 780609942 /nfs/dbraw/zinc/60/99/42/780609942.db2.gz QWINQGUESQNUOC-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001265857672 780610525 /nfs/dbraw/zinc/61/05/25/780610525.db2.gz IKTSGRUXQXJACS-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001265878710 780612344 /nfs/dbraw/zinc/61/23/44/780612344.db2.gz HZYZSAREWYHPPK-LBPRGKRZSA-N 1 1 323.397 -1.111 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1COCCN1CC(F)F)CC(N)=O ZINC001265896182 780613264 /nfs/dbraw/zinc/61/32/64/780613264.db2.gz RWPSUOGODINIJX-SNVBAGLBSA-N 1 1 322.356 -1.124 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)c2nnn(C)n2)C1=O ZINC001265906561 780613696 /nfs/dbraw/zinc/61/36/96/780613696.db2.gz IMBUIZINDIGWIH-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001265922948 780614019 /nfs/dbraw/zinc/61/40/19/780614019.db2.gz KMGQBDDDOXLJKP-KXUCPTDWSA-N 1 1 310.354 -1.649 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1cn[nH]n1)[C@H]1CCC(=O)NC1=O ZINC001265924789 780614586 /nfs/dbraw/zinc/61/45/86/780614586.db2.gz GHZBEJWWPCOGLK-NSHDSACASA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1c[nH]nn1)[C@H]1CCC(=O)NC1=O ZINC001265924789 780614590 /nfs/dbraw/zinc/61/45/90/780614590.db2.gz GHZBEJWWPCOGLK-NSHDSACASA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1c[nH]nn1)[C@H]1CCC(=O)NC1=O ZINC001265924789 780614595 /nfs/dbraw/zinc/61/45/95/780614595.db2.gz GHZBEJWWPCOGLK-NSHDSACASA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1cnn[nH]1)[C@H]1CCC(=O)NC1=O ZINC001265924789 780614597 /nfs/dbraw/zinc/61/45/97/780614597.db2.gz GHZBEJWWPCOGLK-NSHDSACASA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1cnn[nH]1)[C@H]1CCC(=O)NC1=O ZINC001265924789 780614602 /nfs/dbraw/zinc/61/46/02/780614602.db2.gz GHZBEJWWPCOGLK-NSHDSACASA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)C(N)=O)CCN1CCCS1(=O)=O ZINC001265915056 780614662 /nfs/dbraw/zinc/61/46/62/780614662.db2.gz RMMAKSFUPGAOCJ-UHFFFAOYSA-N 1 1 306.388 -2.055 20 0 DAADMO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)CCCNC(=O)C(N)=O ZINC001265914906 780614841 /nfs/dbraw/zinc/61/48/41/780614841.db2.gz MHZVCPYEQUZHPG-UHFFFAOYSA-N 1 1 324.385 -1.101 20 0 DAADMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265914906 780614845 /nfs/dbraw/zinc/61/48/45/780614845.db2.gz MHZVCPYEQUZHPG-UHFFFAOYSA-N 1 1 324.385 -1.101 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nc[nH]n1)CCN1CCNC1=O ZINC001265950051 780615650 /nfs/dbraw/zinc/61/56/50/780615650.db2.gz LFTUALLLMDQMON-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[N@H+](CCCNC(=O)Cc1nnc[nH]1)CCN1CCNC1=O ZINC001265950051 780615655 /nfs/dbraw/zinc/61/56/55/780615655.db2.gz LFTUALLLMDQMON-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nnc[nH]1)CCN1CCNC1=O ZINC001265950051 780615659 /nfs/dbraw/zinc/61/56/59/780615659.db2.gz LFTUALLLMDQMON-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001265968637 780616487 /nfs/dbraw/zinc/61/64/87/780616487.db2.gz HEFPTYPRJCIGAS-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCCNC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCNC1=O ZINC001266092300 780618235 /nfs/dbraw/zinc/61/82/35/780618235.db2.gz PRXMQKDAOXWXQK-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO Cn1cnc(C(=O)NCCC[N@@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001266135507 780618441 /nfs/dbraw/zinc/61/84/41/780618441.db2.gz MYHAPJFPNDBUOO-UHFFFAOYSA-N 1 1 323.357 -1.406 20 0 DAADMO CN(CCC[N@@H+](C)CCCO)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001280822277 780618458 /nfs/dbraw/zinc/61/84/58/780618458.db2.gz LZAHCXHBKYKNGS-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO CN(CC[N@@H+](CCCNC(=O)C(N)=O)C1CC1)S(C)(=O)=O ZINC001266157196 780618522 /nfs/dbraw/zinc/61/85/22/780618522.db2.gz ZOWFTJKFBQDARF-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C)C1=O ZINC001266077189 780618705 /nfs/dbraw/zinc/61/87/05/780618705.db2.gz BWVICYNSKIOMRP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCO)CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266106283 780618789 /nfs/dbraw/zinc/61/87/89/780618789.db2.gz LXHPMLDCPDTTBD-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](CCCNC(=O)C(N)=O)C1CC1 ZINC001266157028 780618900 /nfs/dbraw/zinc/61/89/00/780618900.db2.gz VAYUYTKBHVDDAK-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001266119805 780619280 /nfs/dbraw/zinc/61/92/80/780619280.db2.gz MVLHZOBOYRQNIF-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cn1ncnn1)[C@@H]1CCN(C)C1=O ZINC001266042748 780619308 /nfs/dbraw/zinc/61/93/08/780619308.db2.gz NXMZWPLUGPXBAX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001266182891 780620462 /nfs/dbraw/zinc/62/04/62/780620462.db2.gz RGBHRSHBIGTAOE-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](CCNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001266178216 780620530 /nfs/dbraw/zinc/62/05/30/780620530.db2.gz AJAIAQKWUFBJFH-QMMMGPOBSA-N 1 1 323.357 -1.753 20 0 DAADMO NC(=O)C[NH+]1CCC(N(Cc2ccccn2)C(=O)C(N)=O)CC1 ZINC001279327623 780620983 /nfs/dbraw/zinc/62/09/83/780620983.db2.gz LJDVUJDSCPEXKJ-UHFFFAOYSA-N 1 1 319.365 -1.155 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001279387898 780621556 /nfs/dbraw/zinc/62/15/56/780621556.db2.gz FAUDBVSOSWYYQV-PHIMTYICSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001279484749 780622301 /nfs/dbraw/zinc/62/23/01/780622301.db2.gz WFVYWERLFYIIAY-UHFFFAOYSA-N 1 1 319.369 -1.346 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001279484749 780622306 /nfs/dbraw/zinc/62/23/06/780622306.db2.gz WFVYWERLFYIIAY-UHFFFAOYSA-N 1 1 319.369 -1.346 20 0 DAADMO CCNC(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001279480078 780622685 /nfs/dbraw/zinc/62/26/85/780622685.db2.gz OGMHOKGSOSXJHI-FZMZJTMJSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2ccc(=O)[nH]n2)nn1 ZINC001279655008 780624577 /nfs/dbraw/zinc/62/45/77/780624577.db2.gz OGGMPSPVIMQDCT-UHFFFAOYSA-N 1 1 321.341 -1.465 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001279597985 780624973 /nfs/dbraw/zinc/62/49/73/780624973.db2.gz STOPZRZNFVASHP-QWHCGFSZSA-N 1 1 324.385 -1.395 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCCNC2=O)nn1 ZINC001279738167 780625697 /nfs/dbraw/zinc/62/56/97/780625697.db2.gz PZSXHOWVWGJLBL-LBPRGKRZSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCCNC2=O)n1 ZINC001279738849 780626001 /nfs/dbraw/zinc/62/60/01/780626001.db2.gz XOLBLBOLWPGSPL-GFCCVEGCSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCCNC2=O)nn1 ZINC001279738166 780626085 /nfs/dbraw/zinc/62/60/85/780626085.db2.gz PZSXHOWVWGJLBL-GFCCVEGCSA-N 1 1 324.385 -1.748 20 0 DAADMO Cc1nonc1C[NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001279738588 780626352 /nfs/dbraw/zinc/62/63/52/780626352.db2.gz VFRAIUWIODYCAI-UHFFFAOYSA-N 1 1 313.358 -1.200 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N(CCO)CC[NH2+]Cc1nccs1 ZINC001279810327 780627567 /nfs/dbraw/zinc/62/75/67/780627567.db2.gz PFLKNHAYWZOIMZ-SECBINFHSA-N 1 1 313.383 -1.265 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@]1(F)CCOC1 ZINC001279810480 780628106 /nfs/dbraw/zinc/62/81/06/780628106.db2.gz QYFMYUNIKVGLGQ-LBPRGKRZSA-N 1 1 316.337 -1.751 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)c1cnn(C)n1 ZINC001279858311 780628829 /nfs/dbraw/zinc/62/88/29/780628829.db2.gz PMKGBAFFEMIANL-UHFFFAOYSA-N 1 1 307.358 -1.227 20 0 DAADMO CCn1cnc(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)c1 ZINC001279885793 780629879 /nfs/dbraw/zinc/62/98/79/780629879.db2.gz CVIKMUASGDNCBW-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)NC(=O)C(N)=O ZINC001280334393 780632532 /nfs/dbraw/zinc/63/25/32/780632532.db2.gz YRMBANQVBJBVFZ-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)C(=O)C(N)=O ZINC001280511890 780635870 /nfs/dbraw/zinc/63/58/70/780635870.db2.gz AVDFOFFARVMJJM-QMMMGPOBSA-N 1 1 311.342 -1.202 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)CC(N)=O)C1 ZINC001280557752 780638457 /nfs/dbraw/zinc/63/84/57/780638457.db2.gz PIRWUNFJGLTSHX-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCOCCCNC(=O)C(N)=O)C1 ZINC001280942965 780648993 /nfs/dbraw/zinc/64/89/93/780648993.db2.gz HOCJVRWOUMHYSG-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044485 780653696 /nfs/dbraw/zinc/65/36/96/780653696.db2.gz DPKIMWJBDKNDBM-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044485 780653699 /nfs/dbraw/zinc/65/36/99/780653699.db2.gz DPKIMWJBDKNDBM-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C2 ZINC001281111861 780664490 /nfs/dbraw/zinc/66/44/90/780664490.db2.gz JZNMXTFCALNQAM-ZJUUUORDSA-N 1 1 323.353 -2.167 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001281245090 780672498 /nfs/dbraw/zinc/67/24/98/780672498.db2.gz GKMQMIPZPYQEAP-JTQLQIEISA-N 1 1 316.402 -1.472 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001281257489 780674725 /nfs/dbraw/zinc/67/47/25/780674725.db2.gz VOYWIIIOJQQBLR-SNVBAGLBSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001281275047 780677447 /nfs/dbraw/zinc/67/74/47/780677447.db2.gz WQHXIJUFFAGVDA-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO COCCN(CCNC(=O)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001281321162 780678132 /nfs/dbraw/zinc/67/81/32/780678132.db2.gz CEPDPPHCJNUYMX-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C(N)=O ZINC001281324479 780679796 /nfs/dbraw/zinc/67/97/96/780679796.db2.gz CBFOCKPAQLDGJK-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO NC(=O)C(=O)NCC1=CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001281396977 780681896 /nfs/dbraw/zinc/68/18/96/780681896.db2.gz CQCWXGYWJSJFPZ-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001281649520 780687763 /nfs/dbraw/zinc/68/77/63/780687763.db2.gz YDNHCHVOUQQQBA-GMTAPVOTSA-N 1 1 312.370 -2.095 20 0 DAADMO CCN1CC[C@H]([NH+]2CCC(CO)(NC(=O)C(N)=O)CC2)C1=O ZINC001281817154 780692901 /nfs/dbraw/zinc/69/29/01/780692901.db2.gz PXEKQISHQRKONH-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001281958089 780696876 /nfs/dbraw/zinc/69/68/76/780696876.db2.gz YFUZAVUGBJJKMP-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@H]1CCCN1C(=O)C(N)=O ZINC001281958090 780697165 /nfs/dbraw/zinc/69/71/65/780697165.db2.gz YFUZAVUGBJJKMP-VXGBXAGGSA-N 1 1 309.370 -1.348 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001282230905 780703525 /nfs/dbraw/zinc/70/35/25/780703525.db2.gz ZEPDRDRBCGDIMI-RKDXNWHRSA-N 1 1 323.357 -1.650 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001282423047 780708023 /nfs/dbraw/zinc/70/80/23/780708023.db2.gz LQMVXQXVIGAMJU-NXEZZACHSA-N 1 1 300.359 -2.110 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001282470230 780709487 /nfs/dbraw/zinc/70/94/87/780709487.db2.gz WSOMZPHRIGCLFR-UWVGGRQHSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282478538 780709562 /nfs/dbraw/zinc/70/95/62/780709562.db2.gz PSTHVTQEYOKKGU-JTQLQIEISA-N 1 1 322.369 -1.060 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282443105 780709977 /nfs/dbraw/zinc/70/99/77/780709977.db2.gz DWGSCPKOLABVSO-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775672 780715615 /nfs/dbraw/zinc/71/56/15/780715615.db2.gz WSSJIORHQBFVET-BXUZGUMPSA-N 1 1 315.370 -1.828 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775672 780715618 /nfs/dbraw/zinc/71/56/18/780715618.db2.gz WSSJIORHQBFVET-BXUZGUMPSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001282846756 780716122 /nfs/dbraw/zinc/71/61/22/780716122.db2.gz VMKDLFQWPFMLDK-QEYWKRMJSA-N 1 1 308.338 -2.039 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CCNC3=O)[C@@H]2C1 ZINC001282877622 780718706 /nfs/dbraw/zinc/71/87/06/780718706.db2.gz OEMXTKIYMNFTJR-LSSIXWDNSA-N 1 1 322.409 -1.105 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)CS(C)(=O)=O ZINC001282933496 780722008 /nfs/dbraw/zinc/72/20/08/780722008.db2.gz CZFDPHRFYLTTFO-UHFFFAOYSA-N 1 1 307.416 -1.006 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)CS(C)(=O)=O ZINC001282933496 780722013 /nfs/dbraw/zinc/72/20/13/780722013.db2.gz CZFDPHRFYLTTFO-UHFFFAOYSA-N 1 1 307.416 -1.006 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001282948171 780724601 /nfs/dbraw/zinc/72/46/01/780724601.db2.gz KIDYYHUKFNSPJJ-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO CN1CCC[C@H]1C(=O)NCCNC(=O)COCC[NH+](C)C ZINC001282945806 780725349 /nfs/dbraw/zinc/72/53/49/780725349.db2.gz CLQALCUVYVHYCY-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1c(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)c[nH]c1=O ZINC001282960106 780725735 /nfs/dbraw/zinc/72/57/35/780725735.db2.gz VNELSDCLWLZUTB-SNVBAGLBSA-N 1 1 311.342 -1.698 20 0 DAADMO Cn1c(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)c[nH]c1=O ZINC001282960106 780725741 /nfs/dbraw/zinc/72/57/41/780725741.db2.gz VNELSDCLWLZUTB-SNVBAGLBSA-N 1 1 311.342 -1.698 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282959885 780725749 /nfs/dbraw/zinc/72/57/49/780725749.db2.gz RZSOLNIPRVSGCA-SECBINFHSA-N 1 1 301.347 -2.522 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282959885 780725755 /nfs/dbraw/zinc/72/57/55/780725755.db2.gz RZSOLNIPRVSGCA-SECBINFHSA-N 1 1 301.347 -2.522 20 0 DAADMO Cc1ncc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1C ZINC001282959434 780726045 /nfs/dbraw/zinc/72/60/45/780726045.db2.gz NRRXNVGMACSBPQ-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO Cc1ncc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1C ZINC001282959434 780726051 /nfs/dbraw/zinc/72/60/51/780726051.db2.gz NRRXNVGMACSBPQ-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)ncc1=O ZINC001282957408 780726203 /nfs/dbraw/zinc/72/62/03/780726203.db2.gz XTKITWWGTFMXGQ-NSHDSACASA-N 1 1 323.353 -2.043 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncc1=O ZINC001282957408 780726207 /nfs/dbraw/zinc/72/62/07/780726207.db2.gz XTKITWWGTFMXGQ-NSHDSACASA-N 1 1 323.353 -2.043 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc(C(N)=O)co2)C1 ZINC001282960160 780726460 /nfs/dbraw/zinc/72/64/60/780726460.db2.gz WIRGUDIVHITRMD-NSHDSACASA-N 1 1 324.337 -1.445 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc(C(N)=O)co2)C1 ZINC001282960160 780726465 /nfs/dbraw/zinc/72/64/65/780726465.db2.gz WIRGUDIVHITRMD-NSHDSACASA-N 1 1 324.337 -1.445 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282959403 780726533 /nfs/dbraw/zinc/72/65/33/780726533.db2.gz MRAHWKNZCAQTGI-RYUDHWBXSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282959403 780726541 /nfs/dbraw/zinc/72/65/41/780726541.db2.gz MRAHWKNZCAQTGI-RYUDHWBXSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001282957530 780726614 /nfs/dbraw/zinc/72/66/14/780726614.db2.gz YSGNOLKCVOFKPK-WDEREUQCSA-N 1 1 310.358 -1.598 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001282957530 780726617 /nfs/dbraw/zinc/72/66/17/780726617.db2.gz YSGNOLKCVOFKPK-WDEREUQCSA-N 1 1 310.358 -1.598 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282959402 780726712 /nfs/dbraw/zinc/72/67/12/780726712.db2.gz MRAHWKNZCAQTGI-NWDGAFQWSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282959402 780726717 /nfs/dbraw/zinc/72/67/17/780726717.db2.gz MRAHWKNZCAQTGI-NWDGAFQWSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc(C(N)=O)co2)C1 ZINC001282960159 780726739 /nfs/dbraw/zinc/72/67/39/780726739.db2.gz WIRGUDIVHITRMD-LLVKDONJSA-N 1 1 324.337 -1.445 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc(C(N)=O)co2)C1 ZINC001282960159 780726744 /nfs/dbraw/zinc/72/67/44/780726744.db2.gz WIRGUDIVHITRMD-LLVKDONJSA-N 1 1 324.337 -1.445 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2ccccc2=O)C1 ZINC001282959672 780726876 /nfs/dbraw/zinc/72/68/76/780726876.db2.gz PEQKHEYVLNSLMS-GFCCVEGCSA-N 1 1 322.365 -1.589 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2ccccc2=O)C1 ZINC001282959672 780726881 /nfs/dbraw/zinc/72/68/81/780726881.db2.gz PEQKHEYVLNSLMS-GFCCVEGCSA-N 1 1 322.365 -1.589 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001282954876 780727003 /nfs/dbraw/zinc/72/70/03/780727003.db2.gz FDDUMFNOSKNHGS-NSHDSACASA-N 1 1 308.338 -1.036 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001282954876 780727007 /nfs/dbraw/zinc/72/70/07/780727007.db2.gz FDDUMFNOSKNHGS-NSHDSACASA-N 1 1 308.338 -1.036 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001282994558 780731106 /nfs/dbraw/zinc/73/11/06/780731106.db2.gz RDSHBHATCCZPSZ-CYBMUJFWSA-N 1 1 301.387 -1.042 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283026137 780733412 /nfs/dbraw/zinc/73/34/12/780733412.db2.gz QLJOUPCKVHDGHY-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2c[nH]cn2)C1 ZINC001283048510 780735723 /nfs/dbraw/zinc/73/57/23/780735723.db2.gz VXYQSKPUGMQEAT-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2c[nH]cn2)C1 ZINC001283048510 780735729 /nfs/dbraw/zinc/73/57/29/780735729.db2.gz VXYQSKPUGMQEAT-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001283055159 780736113 /nfs/dbraw/zinc/73/61/13/780736113.db2.gz DFIDKPUBOGJLNS-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)Cc1cnc[nH]1 ZINC001283065616 780738453 /nfs/dbraw/zinc/73/84/53/780738453.db2.gz FWTXZXHMBFJFFM-UHFFFAOYSA-N 1 1 302.356 -1.381 20 0 DAADMO Cn1nnc(C(=O)NCCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC001283132733 780745069 /nfs/dbraw/zinc/74/50/69/780745069.db2.gz NSCAJCXVGHGQDS-ZDUSSCGKSA-N 1 1 307.358 -1.458 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)C1CCN(C(=O)C(N)=O)CC1 ZINC001283324729 780755946 /nfs/dbraw/zinc/75/59/46/780755946.db2.gz COPVYOHKROAYBG-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCCNC2=O)nn1 ZINC001283374548 780757990 /nfs/dbraw/zinc/75/79/90/780757990.db2.gz JHWBERCQOITRAV-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)c1cn(C)nn1 ZINC001283374203 780758343 /nfs/dbraw/zinc/75/83/43/780758343.db2.gz HRYJFUAALVUQDQ-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)c1cn(C)nn1 ZINC001283374203 780758349 /nfs/dbraw/zinc/75/83/49/780758349.db2.gz HRYJFUAALVUQDQ-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO C[C@H](C(=O)NCCOCC[N@@H+](C)[C@H]1CCNC1=O)n1cncn1 ZINC001283374871 780758602 /nfs/dbraw/zinc/75/86/02/780758602.db2.gz NHGQLFFTGVLRSS-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@@H+](C)CCOCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001283388026 780758775 /nfs/dbraw/zinc/75/87/75/780758775.db2.gz LWNUANMIAXGIAJ-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)c1csnn1 ZINC001283400856 780759396 /nfs/dbraw/zinc/75/93/96/780759396.db2.gz WKFFIPRKXIYPLI-UHFFFAOYSA-N 1 1 301.372 -1.038 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)c1csnn1 ZINC001283400856 780759399 /nfs/dbraw/zinc/75/93/99/780759399.db2.gz WKFFIPRKXIYPLI-UHFFFAOYSA-N 1 1 301.372 -1.038 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)c1[nH]nnc1C ZINC001283405027 780760052 /nfs/dbraw/zinc/76/00/52/780760052.db2.gz AYSGEPSJXTYORH-SNVBAGLBSA-N 1 1 312.374 -1.074 20 0 DAADMO C[N@@H+](CCF)CCOCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283425309 780761360 /nfs/dbraw/zinc/76/13/60/780761360.db2.gz ONNFJSVRBLCFGW-SNVBAGLBSA-N 1 1 311.379 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCN(C)C(=O)c1nnn(C)n1 ZINC001283548397 780765467 /nfs/dbraw/zinc/76/54/67/780765467.db2.gz DTEVVNZMAVZQTF-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283637035 780767233 /nfs/dbraw/zinc/76/72/33/780767233.db2.gz USWMILRDTSWDRV-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001283772022 780774571 /nfs/dbraw/zinc/77/45/71/780774571.db2.gz UBGQQJAYFHSLAO-GFCCVEGCSA-N 1 1 322.365 -1.172 20 0 DAADMO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001283769478 780775404 /nfs/dbraw/zinc/77/54/04/780775404.db2.gz CUZIKMHFKNWNSQ-ZETCQYMHSA-N 1 1 310.301 -2.430 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC001283795746 780777810 /nfs/dbraw/zinc/77/78/10/780777810.db2.gz GZPIDXBCQOPHTE-JQWIXIFHSA-N 1 1 320.349 -1.656 20 0 DAADMO Cc1cc(C)cc(NC(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O)c1 ZINC001283798627 780778053 /nfs/dbraw/zinc/77/80/53/780778053.db2.gz YURGFDZVQRWGGM-LBPRGKRZSA-N 1 1 322.365 -1.206 20 0 DAADMO CC1CCN(C(=O)C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001283813654 780779505 /nfs/dbraw/zinc/77/95/05/780779505.db2.gz PQYHFKAAHSMRGE-SNVBAGLBSA-N 1 1 300.359 -2.203 20 0 DAADMO CC(C)C(=O)N1CC[NH+](CCCNC(=O)Cn2cnnn2)CC1 ZINC001283817615 780779662 /nfs/dbraw/zinc/77/96/62/780779662.db2.gz OSWHYPMGMNYNGJ-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO NC(=O)CC(=O)N1CC[NH+](CCCNC(=O)c2cn[nH]c2)CC1 ZINC001283818212 780781001 /nfs/dbraw/zinc/78/10/01/780781001.db2.gz UVNRINTYXOSNLN-UHFFFAOYSA-N 1 1 322.369 -1.451 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001283821457 780781127 /nfs/dbraw/zinc/78/11/27/780781127.db2.gz OPSLDOWDQOQMJO-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927865 780788513 /nfs/dbraw/zinc/78/85/13/780788513.db2.gz ODNJLYIVHSGYAJ-QWRGUYRKSA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927865 780788515 /nfs/dbraw/zinc/78/85/15/780788515.db2.gz ODNJLYIVHSGYAJ-QWRGUYRKSA-N 1 1 312.370 -1.797 20 0 DAADMO COCCOCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001283961979 780789594 /nfs/dbraw/zinc/78/95/94/780789594.db2.gz AXYGVZLSHQWKRV-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO NC(=O)C(=O)N[C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001283950123 780789819 /nfs/dbraw/zinc/78/98/19/780789819.db2.gz YUBCTIVLXBFRRR-NSHDSACASA-N 1 1 312.370 -1.795 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCOCCO ZINC001284103900 780793910 /nfs/dbraw/zinc/79/39/10/780793910.db2.gz VHHLKHQZBONYSL-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCOCCO ZINC001284103903 780794641 /nfs/dbraw/zinc/79/46/41/780794641.db2.gz VHHLKHQZBONYSL-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC001284281567 780804266 /nfs/dbraw/zinc/80/42/66/780804266.db2.gz HXJDQZZZSMLDOT-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cc1ccn[nH]1 ZINC001284402701 780812768 /nfs/dbraw/zinc/81/27/68/780812768.db2.gz MTNOVJZOGFFILX-QWRGUYRKSA-N 1 1 323.353 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C(=O)NCC(F)F ZINC001284428677 780815156 /nfs/dbraw/zinc/81/51/56/780815156.db2.gz HOBNYGYOIMCVLU-MRVPVSSYSA-N 1 1 321.284 -1.640 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCNC2=O)nn1 ZINC001284437995 780816111 /nfs/dbraw/zinc/81/61/11/780816111.db2.gz BTPUDLCSFRYFJO-NEPJUHHUSA-N 1 1 324.385 -1.657 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)C(=O)NCC1CC1 ZINC001284460428 780820367 /nfs/dbraw/zinc/82/03/67/780820367.db2.gz SIZKUPUFGHLRGC-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO COc1ccc(C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)nn1 ZINC001284508352 780823347 /nfs/dbraw/zinc/82/33/47/780823347.db2.gz DFBNLUVFZUSMTF-JTQLQIEISA-N 1 1 311.342 -1.778 20 0 DAADMO COc1ccc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)nn1 ZINC001284508352 780823358 /nfs/dbraw/zinc/82/33/58/780823358.db2.gz DFBNLUVFZUSMTF-JTQLQIEISA-N 1 1 311.342 -1.778 20 0 DAADMO CN(C)C(=O)CC(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284510946 780823884 /nfs/dbraw/zinc/82/38/84/780823884.db2.gz PSBHTZJXWQKPRK-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CN(C)C(=O)CC(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284510946 780823891 /nfs/dbraw/zinc/82/38/91/780823891.db2.gz PSBHTZJXWQKPRK-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCN(C)C(=O)C(N)=O)CC2 ZINC001284577556 780830279 /nfs/dbraw/zinc/83/02/79/780830279.db2.gz HMKWZIRKECMCGT-SNVBAGLBSA-N 1 1 307.354 -1.186 20 0 DAADMO CN(CCOCC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC(=O)N1 ZINC001284854888 780841480 /nfs/dbraw/zinc/84/14/80/780841480.db2.gz QMSZDZVOHGTCQT-LLVKDONJSA-N 1 1 311.342 -1.087 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001284901511 780845119 /nfs/dbraw/zinc/84/51/19/780845119.db2.gz QQZGERZWQQXEBC-UHFFFAOYSA-N 1 1 310.398 -1.187 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001284901511 780845128 /nfs/dbraw/zinc/84/51/28/780845128.db2.gz QQZGERZWQQXEBC-UHFFFAOYSA-N 1 1 310.398 -1.187 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001284914346 780847085 /nfs/dbraw/zinc/84/70/85/780847085.db2.gz XFZMEVNNNFVQFO-SNVBAGLBSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C(C)(C)C(N)=O)C2)C1 ZINC001284914346 780847092 /nfs/dbraw/zinc/84/70/92/780847092.db2.gz XFZMEVNNNFVQFO-SNVBAGLBSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@@H+](CCc1ccccc1)CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC001284943830 780849303 /nfs/dbraw/zinc/84/93/03/780849303.db2.gz FERMDBIKDGXXJC-UHFFFAOYSA-N 1 1 318.377 -1.027 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001285213818 780861087 /nfs/dbraw/zinc/86/10/87/780861087.db2.gz HMUBYBOXPCBBEO-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001285213818 780861096 /nfs/dbraw/zinc/86/10/96/780861096.db2.gz HMUBYBOXPCBBEO-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001285428416 780870273 /nfs/dbraw/zinc/87/02/73/780870273.db2.gz ZDLDOQJSVZDLLU-MNOVXSKESA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNC(=O)Cn1cnnn1 ZINC001285471858 780873819 /nfs/dbraw/zinc/87/38/19/780873819.db2.gz PACYBFOKWAWVMC-PLNGDYQASA-N 1 1 309.374 -1.198 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 ZINC001285570031 780877096 /nfs/dbraw/zinc/87/70/96/780877096.db2.gz FYDHEGSNPQCFBU-WYGGZMRJSA-N 1 1 311.386 -1.203 20 0 DAADMO C[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)NC(=O)C(N)=O ZINC001285692401 780883915 /nfs/dbraw/zinc/88/39/15/780883915.db2.gz PWIWLPJQSGQQGW-SECBINFHSA-N 1 1 323.353 -1.010 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001285964502 780900688 /nfs/dbraw/zinc/90/06/88/780900688.db2.gz ACLVXNKWKSKSBN-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001285964502 780900691 /nfs/dbraw/zinc/90/06/91/780900691.db2.gz ACLVXNKWKSKSBN-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001285964494 780900715 /nfs/dbraw/zinc/90/07/15/780900715.db2.gz ACLVXNKWKSKSBN-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001285964494 780900718 /nfs/dbraw/zinc/90/07/18/780900718.db2.gz ACLVXNKWKSKSBN-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO CN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)CC(N)=O)C1 ZINC001286025467 780902708 /nfs/dbraw/zinc/90/27/08/780902708.db2.gz OANOOKNEGOPXTF-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@](C)(NC(=O)C(N)=O)C2)no1 ZINC001286107400 780905547 /nfs/dbraw/zinc/90/55/47/780905547.db2.gz VPBMTFSGJYYGIR-CQSZACIVSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001286177501 780907968 /nfs/dbraw/zinc/90/79/68/780907968.db2.gz JFQIMXAIDLOVFA-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287462292 780918094 /nfs/dbraw/zinc/91/80/94/780918094.db2.gz AQHONVDKYCVCKS-MNOVXSKESA-N 1 1 314.386 -1.551 20 0 DAADMO CC(C)[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287462292 780918098 /nfs/dbraw/zinc/91/80/98/780918098.db2.gz AQHONVDKYCVCKS-MNOVXSKESA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001287736462 780922147 /nfs/dbraw/zinc/92/21/47/780922147.db2.gz GDOPPSNVRDCZJL-QWHCGFSZSA-N 1 1 322.365 -1.379 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287751077 780923154 /nfs/dbraw/zinc/92/31/54/780923154.db2.gz MULRJXBFOYPSEO-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287751077 780923157 /nfs/dbraw/zinc/92/31/57/780923157.db2.gz MULRJXBFOYPSEO-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO COCCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001287746350 780923370 /nfs/dbraw/zinc/92/33/70/780923370.db2.gz VDTJAAOSEPAKLH-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001287765718 780925008 /nfs/dbraw/zinc/92/50/08/780925008.db2.gz PXGZRXSOSGAJML-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCNC1=O ZINC001287816491 780930203 /nfs/dbraw/zinc/93/02/03/780930203.db2.gz NSBOVWBPODUJQQ-QWRGUYRKSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001287833070 780933648 /nfs/dbraw/zinc/93/36/48/780933648.db2.gz JYGQYBKZZGUDNX-SNVBAGLBSA-N 1 1 323.353 -1.950 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1noc2c1COCC2 ZINC001090824622 781352186 /nfs/dbraw/zinc/35/21/86/781352186.db2.gz RARRGDUDBAJTBJ-QWRGUYRKSA-N 1 1 311.338 -1.095 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001090834657 781352262 /nfs/dbraw/zinc/35/22/62/781352262.db2.gz YJOYQJBJZYMPMU-KOLCDFICSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001090834657 781352269 /nfs/dbraw/zinc/35/22/69/781352269.db2.gz YJOYQJBJZYMPMU-KOLCDFICSA-N 1 1 300.334 -1.142 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833912 781352433 /nfs/dbraw/zinc/35/24/33/781352433.db2.gz QUVYAOYKXRPRAX-PWSUYJOCSA-N 1 1 324.385 -1.416 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1noc2c1COCC2 ZINC001090824623 781353233 /nfs/dbraw/zinc/35/32/33/781353233.db2.gz RARRGDUDBAJTBJ-WDEREUQCSA-N 1 1 311.338 -1.095 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090834168 781353551 /nfs/dbraw/zinc/35/35/51/781353551.db2.gz SNSGCTYIBVJBLW-SCZZXKLOSA-N 1 1 312.330 -3.079 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090833910 781353791 /nfs/dbraw/zinc/35/37/91/781353791.db2.gz QUVYAOYKXRPRAX-CMPLNLGQSA-N 1 1 324.385 -1.416 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832440 781354851 /nfs/dbraw/zinc/35/48/51/781354851.db2.gz BPIBFLGTTATRKJ-MWLCHTKSSA-N 1 1 310.358 -1.663 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090839740 781355310 /nfs/dbraw/zinc/35/53/10/781355310.db2.gz RYFBNQSZHJAFSM-BXKDBHETSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)nc1 ZINC001090843887 781356020 /nfs/dbraw/zinc/35/60/20/781356020.db2.gz MFDOKKLTEBKJOV-JQWIXIFHSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 ZINC001090842841 781356369 /nfs/dbraw/zinc/35/63/69/781356369.db2.gz DVUBHNFWLUMNRW-WCQYABFASA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001090842839 781356554 /nfs/dbraw/zinc/35/65/54/781356554.db2.gz DVUBHNFWLUMNRW-AAEUAGOBSA-N 1 1 322.365 -1.008 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090852141 781358708 /nfs/dbraw/zinc/35/87/08/781358708.db2.gz NMZNECAXRDMCJC-QWRGUYRKSA-N 1 1 321.341 -1.165 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001090852998 781360348 /nfs/dbraw/zinc/36/03/48/781360348.db2.gz VJUHYWHPBDGWMQ-WCQYABFASA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090858671 781362044 /nfs/dbraw/zinc/36/20/44/781362044.db2.gz PCQDGPMXFJFCGJ-YPMHNXCESA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001090934775 781363769 /nfs/dbraw/zinc/36/37/69/781363769.db2.gz ANYRKECNLISNKS-ILDUYXDCSA-N 1 1 310.358 -1.390 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149144483 781363834 /nfs/dbraw/zinc/36/38/34/781363834.db2.gz RIJWCDUMMAKRPI-GHMZBOCLSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149144483 781363839 /nfs/dbraw/zinc/36/38/39/781363839.db2.gz RIJWCDUMMAKRPI-GHMZBOCLSA-N 1 1 323.357 -2.231 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001090969978 781363859 /nfs/dbraw/zinc/36/38/59/781363859.db2.gz HQYFWZAKRDTWPJ-MCIGGMRASA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2nccnc2N)C1 ZINC001090962446 781364194 /nfs/dbraw/zinc/36/41/94/781364194.db2.gz WOIJQWOIMUQPCM-UHFFFAOYSA-N 1 1 317.357 -1.120 20 0 DAADMO Cn1ncc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)c1N ZINC001090994040 781365791 /nfs/dbraw/zinc/36/57/91/781365791.db2.gz KGYKVIOSJHUVFE-UHFFFAOYSA-N 1 1 319.373 -1.176 20 0 DAADMO Cn1cnc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)n1 ZINC001091012693 781367602 /nfs/dbraw/zinc/36/76/02/781367602.db2.gz JIVALPPDWGNYSS-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001091058821 781369375 /nfs/dbraw/zinc/36/93/75/781369375.db2.gz VUUXDKIOWRZOJI-YVNMAJEFSA-N 1 1 321.385 -1.327 20 0 DAADMO CCc1cc(N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091077448 781373320 /nfs/dbraw/zinc/37/33/20/781373320.db2.gz FQUSYKFIKYWYMH-MNOVXSKESA-N 1 1 307.354 -1.111 20 0 DAADMO O=C(C[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001091111698 781376316 /nfs/dbraw/zinc/37/63/16/781376316.db2.gz LCJVJZWBIRPOGO-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001091115337 781377886 /nfs/dbraw/zinc/37/78/86/781377886.db2.gz LCPJYHIBEJTNTF-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@@H]1O ZINC001091177977 781380871 /nfs/dbraw/zinc/38/08/71/781380871.db2.gz KPVYIIITROWMHT-ZJUUUORDSA-N 1 1 319.369 -1.030 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149206518 781381882 /nfs/dbraw/zinc/38/18/82/781381882.db2.gz HFEYXRLVXIKJBJ-JQWIXIFHSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149206518 781381885 /nfs/dbraw/zinc/38/18/85/781381885.db2.gz HFEYXRLVXIKJBJ-JQWIXIFHSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](NCCCNC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001171204995 781382330 /nfs/dbraw/zinc/38/23/30/781382330.db2.gz KAUQDSGGJNEONZ-LLVKDONJSA-N 1 1 313.406 -1.055 20 0 DAADMO CN1CC[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1=O ZINC001091191769 781383167 /nfs/dbraw/zinc/38/31/67/781383167.db2.gz ZOVQWWSJHPHUPH-VQXHTEKXSA-N 1 1 321.385 -1.327 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1=O ZINC001091191766 781383626 /nfs/dbraw/zinc/38/36/26/781383626.db2.gz ZOVQWWSJHPHUPH-ILDUYXDCSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001091210918 781386119 /nfs/dbraw/zinc/38/61/19/781386119.db2.gz BORMGRXPCFOWDZ-AMDVSUOASA-N 1 1 308.346 -2.124 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2cccc(Cl)c2)[C@H]2NCN[C@@H]21 ZINC001144834586 781387150 /nfs/dbraw/zinc/38/71/50/781387150.db2.gz HOCAGSQRIGDSOV-DDHJBXDOSA-N 1 1 311.773 -1.108 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2cccc(Cl)c2)[C@H]2NCN[C@H]21 ZINC001144834587 781387370 /nfs/dbraw/zinc/38/73/70/781387370.db2.gz HOCAGSQRIGDSOV-IRCOFANPSA-N 1 1 311.773 -1.108 20 0 DAADMO CC(=O)Nc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001144890856 781389320 /nfs/dbraw/zinc/38/93/20/781389320.db2.gz GLVDFKAJDQLDBD-SOUVJXGZSA-N 1 1 318.381 -1.293 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144898919 781393027 /nfs/dbraw/zinc/39/30/27/781393027.db2.gz DKBTUZDGIPAAPH-RCZSTQMZSA-N 1 1 302.327 -3.350 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]21 ZINC001144900811 781393902 /nfs/dbraw/zinc/39/39/02/781393902.db2.gz UYQUJDBLZAQOIH-LZQZFOIKSA-N 1 1 316.354 -2.817 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902982 781396416 /nfs/dbraw/zinc/39/64/16/781396416.db2.gz IEEBTBFSMQXWHS-VPOLOUISSA-N 1 1 304.343 -2.769 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144906732 781399018 /nfs/dbraw/zinc/39/90/18/781399018.db2.gz UURLXGAQTKJUFH-LPEHRKFASA-N 1 1 301.299 -3.048 20 0 DAADMO C[N@H+]1CCC[C@](C)(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144908067 781401061 /nfs/dbraw/zinc/40/10/61/781401061.db2.gz RKOPIYMWTHMBLH-XHSYRHOGSA-N 1 1 304.343 -2.769 20 0 DAADMO C[N@H+]1CCC[C@](C)(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144908066 781401256 /nfs/dbraw/zinc/40/12/56/781401256.db2.gz RKOPIYMWTHMBLH-WTBMIXGQSA-N 1 1 304.343 -2.769 20 0 DAADMO CC(=O)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001144924552 781404850 /nfs/dbraw/zinc/40/48/50/781404850.db2.gz NVEGGHFYJGTNOZ-XDQVBPFNSA-N 1 1 319.365 -1.190 20 0 DAADMO CC(=O)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001144924554 781405672 /nfs/dbraw/zinc/40/56/72/781405672.db2.gz NVEGGHFYJGTNOZ-ZOBORPQBSA-N 1 1 319.365 -1.190 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C2CCN(C(N)=O)CC2)CC1 ZINC000042752309 781408034 /nfs/dbraw/zinc/40/80/34/781408034.db2.gz YDIOYXSSFVWAFP-UHFFFAOYSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnnn3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091466643 781408780 /nfs/dbraw/zinc/40/87/80/781408780.db2.gz BJQYUFQAJOKPRO-SUNKGSAMSA-N 1 1 319.369 -1.658 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091467551 781408880 /nfs/dbraw/zinc/40/88/80/781408880.db2.gz WFRAFPIIZVPWQT-WDMOLILDSA-N 1 1 321.385 -1.412 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@]2(C)C1 ZINC001091499856 781408979 /nfs/dbraw/zinc/40/89/79/781408979.db2.gz MYADJSSXHFQWJO-XUJVJEKNSA-N 1 1 311.382 -1.072 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1nncn1C)c1nnnn1C ZINC001146207537 781410462 /nfs/dbraw/zinc/41/04/62/781410462.db2.gz ACNUKRGMOZRMMH-SECBINFHSA-N 1 1 323.361 -1.678 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001146207562 781410522 /nfs/dbraw/zinc/41/05/22/781410522.db2.gz BBTRGUCEFNAKBA-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1nncn1C)c1nnnn1C ZINC001146207538 781410697 /nfs/dbraw/zinc/41/06/97/781410697.db2.gz ACNUKRGMOZRMMH-VIFPVBQESA-N 1 1 323.361 -1.678 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091556322 781412801 /nfs/dbraw/zinc/41/28/01/781412801.db2.gz XADAQRFMSMMXFJ-RISCZKNCSA-N 1 1 306.370 -1.066 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 ZINC001091554890 781413564 /nfs/dbraw/zinc/41/35/64/781413564.db2.gz GXSRLAWLOIZIHP-YGRLFVJLSA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 ZINC001091554890 781413570 /nfs/dbraw/zinc/41/35/70/781413570.db2.gz GXSRLAWLOIZIHP-YGRLFVJLSA-N 1 1 306.370 -1.029 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091590819 781419258 /nfs/dbraw/zinc/41/92/58/781419258.db2.gz GALKHPLWWICBIS-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001146914367 781420534 /nfs/dbraw/zinc/42/05/34/781420534.db2.gz KBXAPLOCHDSDMM-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001146914368 781420755 /nfs/dbraw/zinc/42/07/55/781420755.db2.gz KBXAPLOCHDSDMM-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001146878998 781422109 /nfs/dbraw/zinc/42/21/09/781422109.db2.gz PGXUGQCMYGAGDC-UHFFFAOYSA-N 1 1 309.330 -1.739 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879249 781422153 /nfs/dbraw/zinc/42/21/53/781422153.db2.gz XSBLYRCHVBPDKD-UHFFFAOYSA-N 1 1 308.342 -1.432 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)c1nnnn1C ZINC001146878980 781422285 /nfs/dbraw/zinc/42/22/85/781422285.db2.gz ONSBCGQQSXMNGU-QMMMGPOBSA-N 1 1 324.345 -2.081 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnccn3)C2)C1 ZINC001146906261 781422362 /nfs/dbraw/zinc/42/23/62/781422362.db2.gz XVKNLJXZOVXVMQ-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnccn3)C2)C1 ZINC001146906261 781422365 /nfs/dbraw/zinc/42/23/65/781422365.db2.gz XVKNLJXZOVXVMQ-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1cscn1 ZINC001146912185 781422950 /nfs/dbraw/zinc/42/29/50/781422950.db2.gz QZKRSHSOROYPOA-UHFFFAOYSA-N 1 1 324.370 -1.698 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001146951561 781423671 /nfs/dbraw/zinc/42/36/71/781423671.db2.gz SUGDALWUJNAYOQ-JTQLQIEISA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001146951613 781424586 /nfs/dbraw/zinc/42/45/86/781424586.db2.gz WAODTDQEPZQKAH-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO CN(C(=O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1)C1CC1 ZINC001146951869 781425488 /nfs/dbraw/zinc/42/54/88/781425488.db2.gz ZJDPQWAEUPXWDF-UHFFFAOYSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146966330 781427050 /nfs/dbraw/zinc/42/70/50/781427050.db2.gz XTFVSUYXHXJUHL-UHFFFAOYSA-N 1 1 322.329 -2.598 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146966330 781427056 /nfs/dbraw/zinc/42/70/56/781427056.db2.gz XTFVSUYXHXJUHL-UHFFFAOYSA-N 1 1 322.329 -2.598 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@]2(C)C1 ZINC001091609359 781427406 /nfs/dbraw/zinc/42/74/06/781427406.db2.gz DPENHDPDNGHKEC-RULNRJAQSA-N 1 1 322.369 -1.362 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001146999298 781427450 /nfs/dbraw/zinc/42/74/50/781427450.db2.gz GWFLRGHHEXVFTE-UHFFFAOYSA-N 1 1 309.370 -1.579 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147014307 781428819 /nfs/dbraw/zinc/42/88/19/781428819.db2.gz HNKYYCQQUZUSIH-SNVBAGLBSA-N 1 1 320.357 -1.112 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091611780 781430520 /nfs/dbraw/zinc/43/05/20/781430520.db2.gz GYNPIWZLNQKVQN-JMSVASOKSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@]2(C)C1 ZINC001091611980 781430537 /nfs/dbraw/zinc/43/05/37/781430537.db2.gz KCSBTQUHRDBTAR-WWGRRREGSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001147066085 781432943 /nfs/dbraw/zinc/43/29/43/781432943.db2.gz JJEMQIYRLHRQAT-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001147066085 781432952 /nfs/dbraw/zinc/43/29/52/781432952.db2.gz JJEMQIYRLHRQAT-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001147070862 781433638 /nfs/dbraw/zinc/43/36/38/781433638.db2.gz ASWQMNALSPHEMB-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO COC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147083027 781433913 /nfs/dbraw/zinc/43/39/13/781433913.db2.gz MNOLYNXJBYXXHZ-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001147070863 781434034 /nfs/dbraw/zinc/43/40/34/781434034.db2.gz ASWQMNALSPHEMB-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147188405 781434925 /nfs/dbraw/zinc/43/49/25/781434925.db2.gz YKUXDVCJOYNJGS-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO COC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147211889 781435498 /nfs/dbraw/zinc/43/54/98/781435498.db2.gz ITCSETABXNZXFM-SNVBAGLBSA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147211889 781435501 /nfs/dbraw/zinc/43/55/01/781435501.db2.gz ITCSETABXNZXFM-SNVBAGLBSA-N 1 1 312.370 -1.002 20 0 DAADMO CCc1noc(COCC(=O)NCC[NH2+]Cc2nnnn2C)n1 ZINC001147257281 781435535 /nfs/dbraw/zinc/43/55/35/781435535.db2.gz BYLBMHXZEWATFB-UHFFFAOYSA-N 1 1 324.345 -1.422 20 0 DAADMO COC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147211888 781435658 /nfs/dbraw/zinc/43/56/58/781435658.db2.gz ITCSETABXNZXFM-JTQLQIEISA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147211888 781435660 /nfs/dbraw/zinc/43/56/60/781435660.db2.gz ITCSETABXNZXFM-JTQLQIEISA-N 1 1 312.370 -1.002 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001147263932 781436699 /nfs/dbraw/zinc/43/66/99/781436699.db2.gz BHTGGOVSDIYXRT-SECBINFHSA-N 1 1 301.372 -1.512 20 0 DAADMO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147277885 781436830 /nfs/dbraw/zinc/43/68/30/781436830.db2.gz PEXSYSGNIPDXHP-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147264997 781436874 /nfs/dbraw/zinc/43/68/74/781436874.db2.gz VDCPQJWVVXJYMY-MNOVXSKESA-N 1 1 315.374 -1.535 20 0 DAADMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)n(C)n1 ZINC001147271695 781436966 /nfs/dbraw/zinc/43/69/66/781436966.db2.gz NNQPZUFFIBHWEP-UHFFFAOYSA-N 1 1 320.357 -1.266 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147264996 781437196 /nfs/dbraw/zinc/43/71/96/781437196.db2.gz VDCPQJWVVXJYMY-GHMZBOCLSA-N 1 1 315.374 -1.535 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274964 781437385 /nfs/dbraw/zinc/43/73/85/781437385.db2.gz ZJCQIDOPISDFKX-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274964 781437389 /nfs/dbraw/zinc/43/73/89/781437389.db2.gz ZJCQIDOPISDFKX-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)C[C@H](C)O1 ZINC001147271373 781437510 /nfs/dbraw/zinc/43/75/10/781437510.db2.gz CYNPWHQHXGKZQJ-PHIMTYICSA-N 1 1 324.385 -1.311 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001147264878 781437922 /nfs/dbraw/zinc/43/79/22/781437922.db2.gz QSJDOEMVZUENED-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147264998 781437951 /nfs/dbraw/zinc/43/79/51/781437951.db2.gz VDCPQJWVVXJYMY-QWRGUYRKSA-N 1 1 315.374 -1.535 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001147271757 781438010 /nfs/dbraw/zinc/43/80/10/781438010.db2.gz QDRSNHIACNEPFO-QWRGUYRKSA-N 1 1 324.385 -1.263 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(N)=O)n1 ZINC001147322062 781438927 /nfs/dbraw/zinc/43/89/27/781438927.db2.gz WOVAQGGDOPBQPS-NSHDSACASA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O)c1nnnn1C ZINC001147321572 781438938 /nfs/dbraw/zinc/43/89/38/781438938.db2.gz PNPPKCQDYSTLNQ-ZJUUUORDSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O)c1nnnn1C ZINC001147321569 781439492 /nfs/dbraw/zinc/43/94/92/781439492.db2.gz PNPPKCQDYSTLNQ-NXEZZACHSA-N 1 1 324.389 -1.090 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001147403744 781441139 /nfs/dbraw/zinc/44/11/39/781441139.db2.gz ODSMYZSYRCZFOV-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149124057 781442047 /nfs/dbraw/zinc/44/20/47/781442047.db2.gz IUQMVEZAFDDWCC-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149124057 781442050 /nfs/dbraw/zinc/44/20/50/781442050.db2.gz IUQMVEZAFDDWCC-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147455066 781442744 /nfs/dbraw/zinc/44/27/44/781442744.db2.gz BGEIZGAACYFESN-LLVKDONJSA-N 1 1 313.354 -1.362 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001147451541 781443805 /nfs/dbraw/zinc/44/38/05/781443805.db2.gz VQCDWGVDKFYBBX-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422601 781443821 /nfs/dbraw/zinc/44/38/21/781443821.db2.gz SQSKLKSUHIGECF-UWVGGRQHSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001147422337 781444000 /nfs/dbraw/zinc/44/40/00/781444000.db2.gz JFGCWMCRQLBWAH-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]2NCN[C@H]21 ZINC001147554011 781445598 /nfs/dbraw/zinc/44/55/98/781445598.db2.gz AQMRCLXWMKXDGL-IVZWLZJFSA-N 1 1 306.330 -3.241 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147491155 781445709 /nfs/dbraw/zinc/44/57/09/781445709.db2.gz UHWDPLLJJZSFOF-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001147489366 781446131 /nfs/dbraw/zinc/44/61/31/781446131.db2.gz BWKUOSMSUTXIRO-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001147558506 781446946 /nfs/dbraw/zinc/44/69/46/781446946.db2.gz UQIVIBVCIODWOY-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)on1 ZINC001149432383 781447660 /nfs/dbraw/zinc/44/76/60/781447660.db2.gz JGLZKCUBXJRJJG-UHFFFAOYSA-N 1 1 320.371 -1.220 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)N3CCCC3)C2)C1 ZINC001147530248 781447669 /nfs/dbraw/zinc/44/76/69/781447669.db2.gz HNYKNNRBCJDEBC-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)N3CCCC3)C2)C1 ZINC001147530248 781447674 /nfs/dbraw/zinc/44/76/74/781447674.db2.gz HNYKNNRBCJDEBC-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147565668 781447801 /nfs/dbraw/zinc/44/78/01/781447801.db2.gz HVVCRXNQAHPXPG-UHFFFAOYSA-N 1 1 310.358 -1.784 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001149432354 781447871 /nfs/dbraw/zinc/44/78/71/781447871.db2.gz IRTFUWPJWXUGCR-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001149432640 781448120 /nfs/dbraw/zinc/44/81/20/781448120.db2.gz NEABEQNTKZSWSA-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO Cc1nc2nccc(C(=O)NCC[NH2+]Cc3nnnn3C)n2n1 ZINC001147638989 781448933 /nfs/dbraw/zinc/44/89/33/781448933.db2.gz JKXQYKUQLURXKO-UHFFFAOYSA-N 1 1 316.329 -1.524 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001147669972 781450407 /nfs/dbraw/zinc/45/04/07/781450407.db2.gz LIAQWTULYUMGFX-UHFFFAOYSA-N 1 1 321.385 -1.259 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCNS(C)(=O)=O)C2)C1 ZINC001147665824 781450647 /nfs/dbraw/zinc/45/06/47/781450647.db2.gz SKPAZEVPDIFYQU-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147665442 781450913 /nfs/dbraw/zinc/45/09/13/781450913.db2.gz KEDXYWGWJURWAO-UHFFFAOYSA-N 1 1 312.370 -1.889 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147665442 781450920 /nfs/dbraw/zinc/45/09/20/781450920.db2.gz KEDXYWGWJURWAO-UHFFFAOYSA-N 1 1 312.370 -1.889 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2 ZINC001147669224 781451476 /nfs/dbraw/zinc/45/14/76/781451476.db2.gz DKLLXMWJHJDQAB-NSHDSACASA-N 1 1 314.386 -1.543 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147610398 781451619 /nfs/dbraw/zinc/45/16/19/781451619.db2.gz BORKQDCKJULWHW-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO CN1C(=O)CN(CC(=O)NCC[NH2+]Cc2cnns2)C1=O ZINC001147645751 781451767 /nfs/dbraw/zinc/45/17/67/781451767.db2.gz ZMCFSYHCNHNWNB-UHFFFAOYSA-N 1 1 312.355 -1.362 20 0 DAADMO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1)N1CCC1 ZINC001147686764 781453402 /nfs/dbraw/zinc/45/34/02/781453402.db2.gz ALQKTJUPCVBXPT-SNVBAGLBSA-N 1 1 306.370 -1.152 20 0 DAADMO CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1=O ZINC001147699416 781454896 /nfs/dbraw/zinc/45/48/96/781454896.db2.gz LHTKBMUHZIQKFB-MWLCHTKSSA-N 1 1 306.370 -1.154 20 0 DAADMO CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1=O ZINC001147699416 781454902 /nfs/dbraw/zinc/45/49/02/781454902.db2.gz LHTKBMUHZIQKFB-MWLCHTKSSA-N 1 1 306.370 -1.154 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001147777788 781456558 /nfs/dbraw/zinc/45/65/58/781456558.db2.gz FSSMMCUUXIUPBK-VIFPVBQESA-N 1 1 312.378 -1.501 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)c2nccnc2C(N)=O)CC1 ZINC001147760839 781456824 /nfs/dbraw/zinc/45/68/24/781456824.db2.gz YSNHVGSYAFBTNR-UHFFFAOYSA-N 1 1 306.370 -1.057 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147760170 781456964 /nfs/dbraw/zinc/45/69/64/781456964.db2.gz AYMOAALTWGYXLW-UHFFFAOYSA-N 1 1 321.381 -1.044 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147760170 781456969 /nfs/dbraw/zinc/45/69/69/781456969.db2.gz AYMOAALTWGYXLW-UHFFFAOYSA-N 1 1 321.381 -1.044 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147830987 781458699 /nfs/dbraw/zinc/45/86/99/781458699.db2.gz YCBUENOKKHGGPW-UHFFFAOYSA-N 1 1 318.324 -1.352 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147830987 781458702 /nfs/dbraw/zinc/45/87/02/781458702.db2.gz YCBUENOKKHGGPW-UHFFFAOYSA-N 1 1 318.324 -1.352 20 0 DAADMO COCCC[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001148017002 781460650 /nfs/dbraw/zinc/46/06/50/781460650.db2.gz DRPCFTMLWLCWGZ-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147972545 781461004 /nfs/dbraw/zinc/46/10/04/781461004.db2.gz WERLLEJCADPGCU-UHFFFAOYSA-N 1 1 319.387 -2.940 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147972545 781461011 /nfs/dbraw/zinc/46/10/11/781461011.db2.gz WERLLEJCADPGCU-UHFFFAOYSA-N 1 1 319.387 -2.940 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148046285 781462428 /nfs/dbraw/zinc/46/24/28/781462428.db2.gz XOYHCJOPWUJPNM-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148046285 781462432 /nfs/dbraw/zinc/46/24/32/781462432.db2.gz XOYHCJOPWUJPNM-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148046479 781463234 /nfs/dbraw/zinc/46/32/34/781463234.db2.gz ZESICPSXBWMQDT-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148046470 781463689 /nfs/dbraw/zinc/46/36/89/781463689.db2.gz ZESICPSXBWMQDT-NEPJUHHUSA-N 1 1 311.382 -1.336 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148045678 781463723 /nfs/dbraw/zinc/46/37/23/781463723.db2.gz PNMYFQAYEIMZGT-SECBINFHSA-N 1 1 323.353 -2.148 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148045678 781463726 /nfs/dbraw/zinc/46/37/26/781463726.db2.gz PNMYFQAYEIMZGT-SECBINFHSA-N 1 1 323.353 -2.148 20 0 DAADMO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091675099 781464347 /nfs/dbraw/zinc/46/43/47/781464347.db2.gz FJCOKRGICBBKCO-GYSYKLTISA-N 1 1 319.369 -1.658 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148168120 781464626 /nfs/dbraw/zinc/46/46/26/781464626.db2.gz NTDCPPQEYBFEIN-WDEREUQCSA-N 1 1 312.370 -1.791 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167961 781465072 /nfs/dbraw/zinc/46/50/72/781465072.db2.gz MAMZLGJXBUINKK-QMMMGPOBSA-N 1 1 324.341 -2.603 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167961 781465074 /nfs/dbraw/zinc/46/50/74/781465074.db2.gz MAMZLGJXBUINKK-QMMMGPOBSA-N 1 1 324.341 -2.603 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001148153148 781465166 /nfs/dbraw/zinc/46/51/66/781465166.db2.gz JBPPBRDJGHUQRN-NSHDSACASA-N 1 1 322.365 -1.075 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149446461 781465188 /nfs/dbraw/zinc/46/51/88/781465188.db2.gz FAHRXTPFGUQIKQ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149446461 781465191 /nfs/dbraw/zinc/46/51/91/781465191.db2.gz FAHRXTPFGUQIKQ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149446460 781465196 /nfs/dbraw/zinc/46/51/96/781465196.db2.gz FAHRXTPFGUQIKQ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149446460 781465200 /nfs/dbraw/zinc/46/52/00/781465200.db2.gz FAHRXTPFGUQIKQ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148168117 781465302 /nfs/dbraw/zinc/46/53/02/781465302.db2.gz NTDCPPQEYBFEIN-QWRGUYRKSA-N 1 1 312.370 -1.791 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181766 781466350 /nfs/dbraw/zinc/46/63/50/781466350.db2.gz STGRLCXNLTWDSZ-LLVKDONJSA-N 1 1 315.370 -1.970 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091684376 781466446 /nfs/dbraw/zinc/46/64/46/781466446.db2.gz DJOCKFBJGSBXKG-YGRLFVJLSA-N 1 1 322.369 -1.850 20 0 DAADMO C[C@H](C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)CS(C)(=O)=O ZINC001148181344 781466610 /nfs/dbraw/zinc/46/66/10/781466610.db2.gz OLAUETIAGALROC-SNVBAGLBSA-N 1 1 317.411 -1.313 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)CCS(C)(=O)=O ZINC001161095602 781467108 /nfs/dbraw/zinc/46/71/08/781467108.db2.gz YXYHFKFSCNNFKG-UHFFFAOYSA-N 1 1 304.376 -1.759 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181005 781467170 /nfs/dbraw/zinc/46/71/70/781467170.db2.gz HONLNJUNCCOJKT-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO COC(=O)c1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001148239753 781468628 /nfs/dbraw/zinc/46/86/28/781468628.db2.gz QEIXQHYUNIPXDV-SDDRHHMPSA-N 1 1 305.338 -1.394 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148297697 781468796 /nfs/dbraw/zinc/46/87/96/781468796.db2.gz AIUZJPGOXAQHAQ-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148297697 781468799 /nfs/dbraw/zinc/46/87/99/781468799.db2.gz AIUZJPGOXAQHAQ-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091703642 781468892 /nfs/dbraw/zinc/46/88/92/781468892.db2.gz KPLFXFHBFBBJOS-JMSVASOKSA-N 1 1 318.381 -1.053 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148297751 781468953 /nfs/dbraw/zinc/46/89/53/781468953.db2.gz BOZFMLFVLRRYRK-TUAOUCFPSA-N 1 1 311.382 -1.351 20 0 DAADMO C[C@]12CN(C(=O)Cn3nccn3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091703643 781469072 /nfs/dbraw/zinc/46/90/72/781469072.db2.gz KPLFXFHBFBBJOS-XUJVJEKNSA-N 1 1 318.381 -1.053 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001148363494 781470373 /nfs/dbraw/zinc/47/03/73/781470373.db2.gz HWNONBLQWNDLBB-UHFFFAOYSA-N 1 1 322.406 -1.114 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001148352042 781470507 /nfs/dbraw/zinc/47/05/07/781470507.db2.gz YQESPFQCNGDYJS-MNOVXSKESA-N 1 1 319.427 -1.161 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099894473 781470865 /nfs/dbraw/zinc/47/08/65/781470865.db2.gz LJWPWUIBZDJUIZ-MNOVXSKESA-N 1 1 308.400 -1.645 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099894473 781470870 /nfs/dbraw/zinc/47/08/70/781470870.db2.gz LJWPWUIBZDJUIZ-MNOVXSKESA-N 1 1 308.400 -1.645 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(N)=O)C3)CC1 ZINC001148430577 781472417 /nfs/dbraw/zinc/47/24/17/781472417.db2.gz PNOPLQIOLOYHQU-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1ncc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148429518 781472783 /nfs/dbraw/zinc/47/27/83/781472783.db2.gz CYCALDQHNQMPFD-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO Cn1ncc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148429518 781472791 /nfs/dbraw/zinc/47/27/91/781472791.db2.gz CYCALDQHNQMPFD-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001148472397 781473515 /nfs/dbraw/zinc/47/35/15/781473515.db2.gz KFGYODFXPNCBFL-NSHDSACASA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001148524926 781473536 /nfs/dbraw/zinc/47/35/36/781473536.db2.gz WKFWUWJYLWOOBD-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148511021 781473901 /nfs/dbraw/zinc/47/39/01/781473901.db2.gz ICNFWSCRRPUKBO-GFCCVEGCSA-N 1 1 320.393 -1.065 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001148557597 781474068 /nfs/dbraw/zinc/47/40/68/781474068.db2.gz WTFGQVLXDAPYDT-JTQLQIEISA-N 1 1 320.357 -1.458 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+][C@H](C)c2nnnn2C)n1 ZINC001148557598 781474680 /nfs/dbraw/zinc/47/46/80/781474680.db2.gz WTFGQVLXDAPYDT-SNVBAGLBSA-N 1 1 320.357 -1.458 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001148480976 781474852 /nfs/dbraw/zinc/47/48/52/781474852.db2.gz NKZCBZRJLIQXET-GFCCVEGCSA-N 1 1 324.385 -1.395 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001148567702 781476355 /nfs/dbraw/zinc/47/63/55/781476355.db2.gz FEEBLMBKCKOVBZ-UHFFFAOYSA-N 1 1 321.341 -1.924 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001148567702 781476358 /nfs/dbraw/zinc/47/63/58/781476358.db2.gz FEEBLMBKCKOVBZ-UHFFFAOYSA-N 1 1 321.341 -1.924 20 0 DAADMO O=C(Cn1cncn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148720559 781476490 /nfs/dbraw/zinc/47/64/90/781476490.db2.gz HTKLXPBHDOHNBZ-UHFFFAOYSA-N 1 1 309.370 -1.179 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccccc1 ZINC001148716053 781476621 /nfs/dbraw/zinc/47/66/21/781476621.db2.gz LNELDHAJSQEYTB-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148568787 781476694 /nfs/dbraw/zinc/47/66/94/781476694.db2.gz XVSRUOUQJBKPGW-UHFFFAOYSA-N 1 1 309.370 -1.110 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148568787 781476699 /nfs/dbraw/zinc/47/66/99/781476699.db2.gz XVSRUOUQJBKPGW-UHFFFAOYSA-N 1 1 309.370 -1.110 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148568787 781476701 /nfs/dbraw/zinc/47/67/01/781476701.db2.gz XVSRUOUQJBKPGW-UHFFFAOYSA-N 1 1 309.370 -1.110 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)CNC(=O)Cn3cncn3)C2)C1 ZINC001148833985 781477662 /nfs/dbraw/zinc/47/76/62/781477662.db2.gz PNELTPAWMCOZEZ-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148743559 781477882 /nfs/dbraw/zinc/47/78/82/781477882.db2.gz UAPQQTYOJIDPAM-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148743558 781477929 /nfs/dbraw/zinc/47/79/29/781477929.db2.gz UAPQQTYOJIDPAM-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099895527 781478042 /nfs/dbraw/zinc/47/80/42/781478042.db2.gz XWEVPVLMVXFESC-WDEREUQCSA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099895527 781478045 /nfs/dbraw/zinc/47/80/45/781478045.db2.gz XWEVPVLMVXFESC-WDEREUQCSA-N 1 1 318.349 -2.240 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148748410 781478132 /nfs/dbraw/zinc/47/81/32/781478132.db2.gz RRLPTBMRCXWCGU-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148721010 781478678 /nfs/dbraw/zinc/47/86/78/781478678.db2.gz UZKONCCUEZTHHO-LBPRGKRZSA-N 1 1 309.370 -1.180 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148726456 781478820 /nfs/dbraw/zinc/47/88/20/781478820.db2.gz JAYIKWFPWFPLAO-SNVBAGLBSA-N 1 1 309.370 -1.532 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148720623 781479225 /nfs/dbraw/zinc/47/92/25/781479225.db2.gz JTVQXKLEMNGQQO-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148720623 781479235 /nfs/dbraw/zinc/47/92/35/781479235.db2.gz JTVQXKLEMNGQQO-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCOCCO)CC1)[C@H]1CNC(=O)N1 ZINC001273446391 781479672 /nfs/dbraw/zinc/47/96/72/781479672.db2.gz QOQNANZUOBRMBW-VXGBXAGGSA-N 1 1 314.386 -1.353 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCOCCO)CC1)[C@@H]1CNC(=O)N1 ZINC001273446384 781479824 /nfs/dbraw/zinc/47/98/24/781479824.db2.gz QOQNANZUOBRMBW-NEPJUHHUSA-N 1 1 314.386 -1.353 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149037723 781480461 /nfs/dbraw/zinc/48/04/61/781480461.db2.gz CAZSWDZMOMISCY-ONGXEEELSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149037723 781480468 /nfs/dbraw/zinc/48/04/68/781480468.db2.gz CAZSWDZMOMISCY-ONGXEEELSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002332 781480512 /nfs/dbraw/zinc/48/05/12/781480512.db2.gz IECSXYVOCQDMIZ-GHMZBOCLSA-N 1 1 313.354 -1.355 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002332 781480525 /nfs/dbraw/zinc/48/05/25/781480525.db2.gz IECSXYVOCQDMIZ-GHMZBOCLSA-N 1 1 313.354 -1.355 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)CCCO1 ZINC001149001571 781481089 /nfs/dbraw/zinc/48/10/89/781481089.db2.gz BIPNTGOEXGKOLJ-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149037721 781481435 /nfs/dbraw/zinc/48/14/35/781481435.db2.gz CAZSWDZMOMISCY-KOLCDFICSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149037721 781481440 /nfs/dbraw/zinc/48/14/40/781481440.db2.gz CAZSWDZMOMISCY-KOLCDFICSA-N 1 1 300.359 -1.797 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001086856270 781482411 /nfs/dbraw/zinc/48/24/11/781482411.db2.gz QONDBZHHVRSLQZ-AXFHLTTASA-N 1 1 321.385 -1.137 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901376 781484587 /nfs/dbraw/zinc/48/45/87/781484587.db2.gz ILSIWQCWUNBKML-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001099899314 781485141 /nfs/dbraw/zinc/48/51/41/781485141.db2.gz QOEKQZJLGJACPH-MNOVXSKESA-N 1 1 300.403 -1.247 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@]2(C)C1 ZINC001091910786 781486342 /nfs/dbraw/zinc/48/63/42/781486342.db2.gz HRDZTRRLVAVLTL-ZETOZRRWSA-N 1 1 308.382 -1.351 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929778 781486375 /nfs/dbraw/zinc/48/63/75/781486375.db2.gz YADNBISXMMBOAG-RULNRJAQSA-N 1 1 321.385 -1.132 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929777 781486583 /nfs/dbraw/zinc/48/65/83/781486583.db2.gz YADNBISXMMBOAG-BFVZDQMLSA-N 1 1 321.385 -1.132 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1=O ZINC001091931342 781486619 /nfs/dbraw/zinc/48/66/19/781486619.db2.gz VKYUCLGDMYBITK-ZETOZRRWSA-N 1 1 308.382 -1.270 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1=O ZINC001091931341 781487323 /nfs/dbraw/zinc/48/73/23/781487323.db2.gz VKYUCLGDMYBITK-HFAKWTLXSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971407 781487431 /nfs/dbraw/zinc/48/74/31/781487431.db2.gz CDOLKEBMSNGMIN-WMFXKJRFSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)c1=O ZINC001091905369 781487481 /nfs/dbraw/zinc/48/74/81/781487481.db2.gz CGZDEPPEZUMSLV-BMIGLBTASA-N 1 1 322.365 -1.128 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 ZINC001092017552 781488653 /nfs/dbraw/zinc/48/86/53/781488653.db2.gz KYFDLLJUHIWJNX-YMEQNVIZSA-N 1 1 322.409 -1.024 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 ZINC001092106473 781488772 /nfs/dbraw/zinc/48/87/72/781488772.db2.gz AYTZOKJDMFERRR-RWSFTLGLSA-N 1 1 324.381 -1.301 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001091973818 781488778 /nfs/dbraw/zinc/48/87/78/781488778.db2.gz GDWNEAKSPLALAM-XUJVJEKNSA-N 1 1 321.381 -1.490 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O ZINC001091970571 781488879 /nfs/dbraw/zinc/48/88/79/781488879.db2.gz SWTOYAVFPVMTSD-HFAKWTLXSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092008324 781489087 /nfs/dbraw/zinc/48/90/87/781489087.db2.gz HNSZHLGGYNDZDJ-ONERCXAPSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 ZINC001091970391 781489133 /nfs/dbraw/zinc/48/91/33/781489133.db2.gz LZEDBEHKLLFADS-YGRLFVJLSA-N 1 1 308.382 -1.222 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O ZINC001091971572 781489455 /nfs/dbraw/zinc/48/94/55/781489455.db2.gz HQRUOLIGHGXPTR-HFAKWTLXSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@]2(C)C1 ZINC001091970037 781489568 /nfs/dbraw/zinc/48/95/68/781489568.db2.gz CVMGLXVGZWXREE-RULNRJAQSA-N 1 1 308.382 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@]2(C)C1 ZINC001092182489 781495073 /nfs/dbraw/zinc/49/50/73/781495073.db2.gz TYOJEGLCOXGUFW-YGRLFVJLSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@]12CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092303217 781495817 /nfs/dbraw/zinc/49/58/17/781495817.db2.gz ZWJFDWMAASTPKX-YGRLFVJLSA-N 1 1 322.369 -1.850 20 0 DAADMO C[C@]12CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092330975 781495951 /nfs/dbraw/zinc/49/59/51/781495951.db2.gz RCYMQWWEUFBZKI-FCHSOHFDSA-N 1 1 322.365 -1.695 20 0 DAADMO C[C@]12CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092260623 781496631 /nfs/dbraw/zinc/49/66/31/781496631.db2.gz YKDYCTPOMBCHIJ-HFAKWTLXSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 ZINC001092256861 781497023 /nfs/dbraw/zinc/49/70/23/781497023.db2.gz XESBKXJHEIYEBT-WDMOLILDSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092372138 781497908 /nfs/dbraw/zinc/49/79/08/781497908.db2.gz HJWDVTRNKDCFLR-NSHDSACASA-N 1 1 317.353 -1.261 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CCC(=O)N1 ZINC001092408986 781498372 /nfs/dbraw/zinc/49/83/72/781498372.db2.gz FSTGYVQLFPPSFP-QWRGUYRKSA-N 1 1 319.365 -1.274 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CCNC1=O ZINC001092384467 781498428 /nfs/dbraw/zinc/49/84/28/781498428.db2.gz IPUQYFSHRTWETO-QWRGUYRKSA-N 1 1 319.365 -1.417 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1COC(=O)N1 ZINC001092364980 781498525 /nfs/dbraw/zinc/49/85/25/781498525.db2.gz AEAZCODQTIFFKA-ZJUUUORDSA-N 1 1 321.337 -1.444 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CCNC1=O ZINC001092384465 781498777 /nfs/dbraw/zinc/49/87/77/781498777.db2.gz IPUQYFSHRTWETO-GHMZBOCLSA-N 1 1 319.365 -1.417 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC001092686307 781500619 /nfs/dbraw/zinc/50/06/19/781500619.db2.gz GNLQDDPJAOAHJE-GMTAPVOTSA-N 1 1 321.381 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCCN2C)[C@H](C)C1 ZINC001092555666 781500797 /nfs/dbraw/zinc/50/07/97/781500797.db2.gz TWTFIUIDOBGTMP-UPJWGTAASA-N 1 1 312.414 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092523069 781501142 /nfs/dbraw/zinc/50/11/42/781501142.db2.gz ZNRVUMLERJCYGF-UPJWGTAASA-N 1 1 312.414 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@H](C)C1 ZINC001092759307 781501290 /nfs/dbraw/zinc/50/12/90/781501290.db2.gz SBMDCDFRKHFHJI-GRYCIOLGSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149681852 781503241 /nfs/dbraw/zinc/50/32/41/781503241.db2.gz QVSIJLKLHPPPIY-GFCCVEGCSA-N 1 1 316.402 -1.105 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927777 781503501 /nfs/dbraw/zinc/50/35/01/781503501.db2.gz AXHVSRFDXURQSY-CKYFFXLPSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001092921011 781503809 /nfs/dbraw/zinc/50/38/09/781503809.db2.gz MMEADAJBXCHALQ-FOGDFJRCSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927637 781503831 /nfs/dbraw/zinc/50/38/31/781503831.db2.gz VDPHONKUDSNDHP-IJLUTSLNSA-N 1 1 321.385 -1.356 20 0 DAADMO CNC(=O)CC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098350997 781504674 /nfs/dbraw/zinc/50/46/74/781504674.db2.gz BQYHORPRGWHKAV-UHFFFAOYSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001092972991 781505087 /nfs/dbraw/zinc/50/50/87/781505087.db2.gz PLSNLXMNSCTSBX-WISYIIOYSA-N 1 1 310.398 -1.120 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001092970930 781505347 /nfs/dbraw/zinc/50/53/47/781505347.db2.gz NHEQGAHOBHGPIU-KKOKHZNYSA-N 1 1 310.398 -1.120 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@H](C)C2)[nH]1 ZINC001092927909 781505400 /nfs/dbraw/zinc/50/54/00/781505400.db2.gz FJIFWSOKEFKDKN-IEBDPFPHSA-N 1 1 321.385 -1.021 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@H](C)C2)[nH]1 ZINC001092927909 781505405 /nfs/dbraw/zinc/50/54/05/781505405.db2.gz FJIFWSOKEFKDKN-IEBDPFPHSA-N 1 1 321.385 -1.021 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@H](C)C2)[nH]1 ZINC001092927908 781505473 /nfs/dbraw/zinc/50/54/73/781505473.db2.gz FJIFWSOKEFKDKN-FBIMIBRVSA-N 1 1 321.385 -1.021 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@H](C)C2)[nH]1 ZINC001092927908 781505477 /nfs/dbraw/zinc/50/54/77/781505477.db2.gz FJIFWSOKEFKDKN-FBIMIBRVSA-N 1 1 321.385 -1.021 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092929323 781505480 /nfs/dbraw/zinc/50/54/80/781505480.db2.gz SUYJNLYKPJOVIE-GMTAPVOTSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092929323 781505482 /nfs/dbraw/zinc/50/54/82/781505482.db2.gz SUYJNLYKPJOVIE-GMTAPVOTSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001092964877 781505571 /nfs/dbraw/zinc/50/55/71/781505571.db2.gz SHMNZHUUDAICHR-CHWFTXMASA-N 1 1 312.370 -1.811 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001093045587 781505623 /nfs/dbraw/zinc/50/56/23/781505623.db2.gz KWLRLXMBYRHAFF-UTUOFQBUSA-N 1 1 319.427 -1.303 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](C)C1 ZINC001093011729 781505859 /nfs/dbraw/zinc/50/58/59/781505859.db2.gz HQXHUWASHLGBNJ-MXWKQRLJSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001093198988 781506609 /nfs/dbraw/zinc/50/66/09/781506609.db2.gz CYRJZLHXEHJBQA-PSASIEDQSA-N 1 1 307.354 -1.103 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203519 781506765 /nfs/dbraw/zinc/50/67/65/781506765.db2.gz SIAYXNWOKPJXDZ-MXWKQRLJSA-N 1 1 305.400 -1.646 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001093191581 781506797 /nfs/dbraw/zinc/50/67/97/781506797.db2.gz PALCYFRUJWAHEJ-NXEZZACHSA-N 1 1 310.354 -1.224 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001093180551 781506807 /nfs/dbraw/zinc/50/68/07/781506807.db2.gz KLPLNRJBDUTZTC-NXEZZACHSA-N 1 1 307.354 -1.437 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203186 781507366 /nfs/dbraw/zinc/50/73/66/781507366.db2.gz KBADMZFDNVVYJH-IJLUTSLNSA-N 1 1 319.427 -1.255 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001093217374 781508061 /nfs/dbraw/zinc/50/80/61/781508061.db2.gz CBEWCSSJSDFUFX-NXEZZACHSA-N 1 1 319.365 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001093250775 781509884 /nfs/dbraw/zinc/50/98/84/781509884.db2.gz NTANQHIUGRAIHH-MWLCHTKSSA-N 1 1 319.365 -1.037 20 0 DAADMO C[C@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093488207 781512502 /nfs/dbraw/zinc/51/25/02/781512502.db2.gz KWSLUXBBINRLJX-FPMFFAJLSA-N 1 1 324.425 -1.008 20 0 DAADMO C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093488206 781513078 /nfs/dbraw/zinc/51/30/78/781513078.db2.gz KWSLUXBBINRLJX-BNOWGMLFSA-N 1 1 324.425 -1.008 20 0 DAADMO Cn1nnc2c1ncnc2NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001093543708 781514046 /nfs/dbraw/zinc/51/40/46/781514046.db2.gz KWLJSALGPMALLQ-VIFPVBQESA-N 1 1 320.357 -1.383 20 0 DAADMO Cn1nnc2c1ncnc2NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001093543708 781514052 /nfs/dbraw/zinc/51/40/52/781514052.db2.gz KWLJSALGPMALLQ-VIFPVBQESA-N 1 1 320.357 -1.383 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149763267 781516813 /nfs/dbraw/zinc/51/68/13/781516813.db2.gz IUYZJDLJGDNFCK-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093654659 781518832 /nfs/dbraw/zinc/51/88/32/781518832.db2.gz JGHMFICPAMJVPX-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093654659 781518838 /nfs/dbraw/zinc/51/88/38/781518838.db2.gz JGHMFICPAMJVPX-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093675672 781519741 /nfs/dbraw/zinc/51/97/41/781519741.db2.gz RTKNMNSFJUKMNF-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNc1ccc2nnnn2n1 ZINC001093732417 781520786 /nfs/dbraw/zinc/52/07/86/781520786.db2.gz PBOKJRKMWOEPAJ-UHFFFAOYSA-N 1 1 320.357 -1.230 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCNc2ccc3nnnn3n2)O1 ZINC001094226522 781535532 /nfs/dbraw/zinc/53/55/32/781535532.db2.gz VDNTUPKMPIMWBG-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCNc2ccc3nnnn3n2)O1 ZINC001094226522 781535540 /nfs/dbraw/zinc/53/55/40/781535540.db2.gz VDNTUPKMPIMWBG-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO CC(C)[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001094315472 781537618 /nfs/dbraw/zinc/53/76/18/781537618.db2.gz OSWOZRBTEBZKII-LLVKDONJSA-N 1 1 307.358 -1.159 20 0 DAADMO CC(C)[NH+]1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001094310033 781538012 /nfs/dbraw/zinc/53/80/12/781538012.db2.gz COIGPSNZTRALKD-UHFFFAOYSA-N 1 1 305.346 -1.003 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC001094287170 781539493 /nfs/dbraw/zinc/53/94/93/781539493.db2.gz DUFVRTRFJCRDIU-LDYMZIIASA-N 1 1 324.341 -1.760 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094315906 781539512 /nfs/dbraw/zinc/53/95/12/781539512.db2.gz COOUGYFWDLPWEH-FZMZJTMJSA-N 1 1 322.413 -1.059 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 ZINC001094319010 781539658 /nfs/dbraw/zinc/53/96/58/781539658.db2.gz KLXCRCNVTJRTDD-FXAINCCUSA-N 1 1 322.369 -1.747 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094315908 781539673 /nfs/dbraw/zinc/53/96/73/781539673.db2.gz COOUGYFWDLPWEH-RISCZKNCSA-N 1 1 322.413 -1.059 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@H]1COC(=O)N1 ZINC001094287233 781539978 /nfs/dbraw/zinc/53/99/78/781539978.db2.gz GIOKUPNCJAUYBO-LLVKDONJSA-N 1 1 324.341 -1.758 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC001094288226 781540280 /nfs/dbraw/zinc/54/02/80/781540280.db2.gz JQQIHAVFKIPPNC-VIFPVBQESA-N 1 1 320.357 -1.426 20 0 DAADMO CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001094315682 781540292 /nfs/dbraw/zinc/54/02/92/781540292.db2.gz XQXNQGGFJIHZJO-NSHDSACASA-N 1 1 307.358 -1.158 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC001094288058 781540427 /nfs/dbraw/zinc/54/04/27/781540427.db2.gz DDNWNKSMLSFEOD-SECBINFHSA-N 1 1 320.357 -1.426 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001094335435 781540962 /nfs/dbraw/zinc/54/09/62/781540962.db2.gz GHRXNJJZKRCGOY-CABZTGNLSA-N 1 1 322.369 -1.590 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1csnn1 ZINC001099934901 781543413 /nfs/dbraw/zinc/54/34/13/781543413.db2.gz FQNXXNXOPUFRMB-MWLCHTKSSA-N 1 1 316.383 -1.288 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC001094490013 781544648 /nfs/dbraw/zinc/54/46/48/781544648.db2.gz ZYIAGXJALPULGA-FIXISWKDSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)n1 ZINC001094492721 781545008 /nfs/dbraw/zinc/54/50/08/781545008.db2.gz FKVFDNJIVZZLGS-NOZJJQNGSA-N 1 1 307.358 -1.330 20 0 DAADMO Cn1nccc1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098355107 781545415 /nfs/dbraw/zinc/54/54/15/781545415.db2.gz PTGYIDUBUWHTNE-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935423 781545560 /nfs/dbraw/zinc/54/55/60/781545560.db2.gz NQSNHTBQYXDZCL-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935423 781545566 /nfs/dbraw/zinc/54/55/66/781545566.db2.gz NQSNHTBQYXDZCL-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001099935995 781547745 /nfs/dbraw/zinc/54/77/45/781547745.db2.gz YBBHDLYCDNFWOA-GHMZBOCLSA-N 1 1 315.349 -1.507 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001099935995 781547751 /nfs/dbraw/zinc/54/77/51/781547751.db2.gz YBBHDLYCDNFWOA-GHMZBOCLSA-N 1 1 315.349 -1.507 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001099935997 781548087 /nfs/dbraw/zinc/54/80/87/781548087.db2.gz YBBHDLYCDNFWOA-QWRGUYRKSA-N 1 1 315.349 -1.507 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001099935997 781548095 /nfs/dbraw/zinc/54/80/95/781548095.db2.gz YBBHDLYCDNFWOA-QWRGUYRKSA-N 1 1 315.349 -1.507 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 ZINC001094712319 781550750 /nfs/dbraw/zinc/55/07/50/781550750.db2.gz VFHBSHNVPUJQRH-GHMZBOCLSA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccn[nH]1 ZINC001094709440 781551702 /nfs/dbraw/zinc/55/17/02/781551702.db2.gz LCBAASHDVQNEGU-JTQLQIEISA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCCO)C2)C1 ZINC001094713840 781552381 /nfs/dbraw/zinc/55/23/81/781552381.db2.gz JVOITRADMBXGNL-GXTWGEPZSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCOCC3)CC2=O)C1 ZINC001094721609 781553722 /nfs/dbraw/zinc/55/37/22/781553722.db2.gz HBIFLLUCTDSCAD-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094717841 781554178 /nfs/dbraw/zinc/55/41/78/781554178.db2.gz ONZUIOWSHXJFLR-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCNC(=O)C3)CC2=O)C1 ZINC001094720668 781554278 /nfs/dbraw/zinc/55/42/78/781554278.db2.gz OSNGQYSQRQOQKS-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094718284 781554729 /nfs/dbraw/zinc/55/47/29/781554729.db2.gz YPLOWKIQZRLHQY-ZYHUDNBSSA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094718283 781555041 /nfs/dbraw/zinc/55/50/41/781555041.db2.gz YPLOWKIQZRLHQY-PWSUYJOCSA-N 1 1 321.381 -1.266 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001094690506 781555794 /nfs/dbraw/zinc/55/57/94/781555794.db2.gz UZNIHEYYYSYUKM-GXTWGEPZSA-N 1 1 321.381 -1.335 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700533 781556964 /nfs/dbraw/zinc/55/69/64/781556964.db2.gz DTKQLOMKQWWFEY-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700005 781557203 /nfs/dbraw/zinc/55/72/03/781557203.db2.gz AVVIMWMDELIZAR-VHSXEESVSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 ZINC001094698503 781557259 /nfs/dbraw/zinc/55/72/59/781557259.db2.gz DXRVVAHZSLPMGD-QWRGUYRKSA-N 1 1 319.365 -1.128 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094701401 781557779 /nfs/dbraw/zinc/55/77/79/781557779.db2.gz OFFZFZPZHLRXHT-JTQLQIEISA-N 1 1 307.358 -1.517 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094726972 781561400 /nfs/dbraw/zinc/56/14/00/781561400.db2.gz GXKSQYRMLAYWOT-VIFPVBQESA-N 1 1 308.342 -1.595 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)nn1 ZINC001094729890 781561927 /nfs/dbraw/zinc/56/19/27/781561927.db2.gz NACRLPKIQRGIQA-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cncnc1 ZINC001094731682 781562805 /nfs/dbraw/zinc/56/28/05/781562805.db2.gz QNOHFSWBJBJHMR-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094733994 781563242 /nfs/dbraw/zinc/56/32/42/781563242.db2.gz PBIXVNBSXRXLJM-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ncc[nH]1 ZINC001094734348 781563362 /nfs/dbraw/zinc/56/33/62/781563362.db2.gz WPNGWBYBNBNVIJ-JTQLQIEISA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncc[nH]3)CC2=O)C1 ZINC001094733877 781563407 /nfs/dbraw/zinc/56/34/07/781563407.db2.gz OUWGUUNXYORHGZ-VHSXEESVSA-N 1 1 307.354 -1.195 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736293 781564773 /nfs/dbraw/zinc/56/47/73/781564773.db2.gz HSPMRXYIBYWJGV-SNVBAGLBSA-N 1 1 307.358 -1.517 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094737016 781565306 /nfs/dbraw/zinc/56/53/06/781565306.db2.gz QQJKNBIRPNZXEQ-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@]12C[C@H]1COC2 ZINC001094736147 781565405 /nfs/dbraw/zinc/56/54/05/781565405.db2.gz DOCUKUHHMSMGIJ-OZVIIMIRSA-N 1 1 323.393 -1.193 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CCNC3=O)CC2=O)C1 ZINC001094746571 781566418 /nfs/dbraw/zinc/56/64/18/781566418.db2.gz WGIJZKSZXZLMHI-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742562 781566499 /nfs/dbraw/zinc/56/64/99/781566499.db2.gz QXHJCXMNZMFAND-GHMZBOCLSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094751909 781568279 /nfs/dbraw/zinc/56/82/79/781568279.db2.gz ZECFIMHZTHWAHF-OCCSQVGLSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCCNC3=O)CC2=O)C1 ZINC001094753316 781568474 /nfs/dbraw/zinc/56/84/74/781568474.db2.gz HORWRFBUBMNYEH-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 ZINC001094799984 781569086 /nfs/dbraw/zinc/56/90/86/781569086.db2.gz VHYKZFXKLFSTAO-GHMZBOCLSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)Cn3ncn(C)c3=O)CC2=O)C1 ZINC001094756669 781569296 /nfs/dbraw/zinc/56/92/96/781569296.db2.gz LJXAHDUXQWPICC-JTQLQIEISA-N 1 1 322.369 -1.997 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 ZINC001094799986 781570134 /nfs/dbraw/zinc/57/01/34/781570134.db2.gz VHYKZFXKLFSTAO-QWRGUYRKSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768199 781570501 /nfs/dbraw/zinc/57/05/01/781570501.db2.gz QRXSGJYTPKRFPU-KOLCDFICSA-N 1 1 309.370 -1.569 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768107 781570739 /nfs/dbraw/zinc/57/07/39/781570739.db2.gz PDXLAHZVAGZWPZ-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094772116 781573018 /nfs/dbraw/zinc/57/30/18/781573018.db2.gz ORVHYYSPZKYRNG-SNVBAGLBSA-N 1 1 322.369 -1.490 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773609 781573124 /nfs/dbraw/zinc/57/31/24/781573124.db2.gz FGRFVDYLZFKTJC-DTWKUNHWSA-N 1 1 323.357 -2.394 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778521 781574565 /nfs/dbraw/zinc/57/45/65/781574565.db2.gz FATIMUKBODCBQB-BDAKNGLRSA-N 1 1 300.334 -1.379 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094782747 781576913 /nfs/dbraw/zinc/57/69/13/781576913.db2.gz DSNZUYBPTDZJFY-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[C@H](C[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1)OC ZINC001094780579 781577018 /nfs/dbraw/zinc/57/70/18/781577018.db2.gz ZIJUNNNKRZVWQG-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094783079 781577227 /nfs/dbraw/zinc/57/72/27/781577227.db2.gz LANDOPKNNSHIMS-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 ZINC001094787046 781578318 /nfs/dbraw/zinc/57/83/18/781578318.db2.gz KDWORNRBBDVKFP-JLLWLGSASA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795386 781578585 /nfs/dbraw/zinc/57/85/85/781578585.db2.gz NZQFAUVURHTXIQ-NXEZZACHSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094795572 781578989 /nfs/dbraw/zinc/57/89/89/781578989.db2.gz SPBWMNXCONKXGP-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094814627 781579863 /nfs/dbraw/zinc/57/98/63/781579863.db2.gz HEJJJGPFHSWYHV-NWDGAFQWSA-N 1 1 310.398 -1.668 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 ZINC001094814552 781579883 /nfs/dbraw/zinc/57/98/83/781579883.db2.gz GDOZFSZIJFYWFR-QWRGUYRKSA-N 1 1 321.381 -1.184 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3C(=O)CNC3=O)CC2=O)C1 ZINC001094813278 781580472 /nfs/dbraw/zinc/58/04/72/781580472.db2.gz DWPWZJQFCSRMSO-VIFPVBQESA-N 1 1 323.353 -2.041 20 0 DAADMO COCCN1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814806 781580671 /nfs/dbraw/zinc/58/06/71/781580671.db2.gz JFVWLQSUTHXBAF-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094802530 781582807 /nfs/dbraw/zinc/58/28/07/781582807.db2.gz BUNOCSCMRCEXQV-NSHDSACASA-N 1 1 321.381 -1.264 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094804296 781582940 /nfs/dbraw/zinc/58/29/40/781582940.db2.gz UVQNAZMTSCWUBG-GHMZBOCLSA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094804300 781583219 /nfs/dbraw/zinc/58/32/19/781583219.db2.gz UVQNAZMTSCWUBG-QWRGUYRKSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094809933 781583764 /nfs/dbraw/zinc/58/37/64/781583764.db2.gz RDUKIRFUWLCUCT-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 ZINC001094822542 781583975 /nfs/dbraw/zinc/58/39/75/781583975.db2.gz KSQHDDCRDYGEFL-NEPJUHHUSA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 ZINC001094822545 781584249 /nfs/dbraw/zinc/58/42/49/781584249.db2.gz KSQHDDCRDYGEFL-NWDGAFQWSA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094809932 781584530 /nfs/dbraw/zinc/58/45/30/781584530.db2.gz RDUKIRFUWLCUCT-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)CC2=O)C1 ZINC001094820993 781584723 /nfs/dbraw/zinc/58/47/23/781584723.db2.gz MMCAJTDPWFKOIM-JQWIXIFHSA-N 1 1 323.397 -1.049 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094821839 781585029 /nfs/dbraw/zinc/58/50/29/781585029.db2.gz XUUSRRPYTONWAM-SCZZXKLOSA-N 1 1 323.353 -1.226 20 0 DAADMO C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1cnn[nH]1 ZINC001171652554 781586505 /nfs/dbraw/zinc/58/65/05/781586505.db2.gz VXQNQYSCNJEZNA-QMMMGPOBSA-N 1 1 311.346 -1.122 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099938071 781587485 /nfs/dbraw/zinc/58/74/85/781587485.db2.gz QCUVTZUJKPCJJY-NXEZZACHSA-N 1 1 308.404 -2.000 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115046574 781588333 /nfs/dbraw/zinc/58/83/33/781588333.db2.gz OOFPVKIIFSWDJU-YABSGUDNSA-N 1 1 310.354 -1.024 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099938074 781588867 /nfs/dbraw/zinc/58/88/67/781588867.db2.gz QCUVTZUJKPCJJY-ZJUUUORDSA-N 1 1 308.404 -2.000 20 0 DAADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001172110746 781589237 /nfs/dbraw/zinc/58/92/37/781589237.db2.gz OJIVZDTXVVXDIY-QIQOKXGGSA-N 1 1 316.398 -1.609 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099938073 781590119 /nfs/dbraw/zinc/59/01/19/781590119.db2.gz QCUVTZUJKPCJJY-VHSXEESVSA-N 1 1 308.404 -2.000 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001095157901 781593253 /nfs/dbraw/zinc/59/32/53/781593253.db2.gz BXKDBDIVLGXYJK-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001095157901 781593261 /nfs/dbraw/zinc/59/32/61/781593261.db2.gz BXKDBDIVLGXYJK-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001095156121 781593358 /nfs/dbraw/zinc/59/33/58/781593358.db2.gz OFEILRVOPGSAQJ-RHYQMDGZSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001095156121 781593364 /nfs/dbraw/zinc/59/33/64/781593364.db2.gz OFEILRVOPGSAQJ-RHYQMDGZSA-N 1 1 319.369 -1.375 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157045 781593398 /nfs/dbraw/zinc/59/33/98/781593398.db2.gz WDUZWLXZEFWDGE-RCWTZXSCSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157045 781593401 /nfs/dbraw/zinc/59/34/01/781593401.db2.gz WDUZWLXZEFWDGE-RCWTZXSCSA-N 1 1 307.358 -1.342 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095158154 781593928 /nfs/dbraw/zinc/59/39/28/781593928.db2.gz IDVKSMWROGRZCC-VPOLOUISSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095158154 781593936 /nfs/dbraw/zinc/59/39/36/781593936.db2.gz IDVKSMWROGRZCC-VPOLOUISSA-N 1 1 305.342 -1.717 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217622 781595480 /nfs/dbraw/zinc/59/54/80/781595480.db2.gz ADDJPMFXSBSOOT-IUCAKERBSA-N 1 1 312.326 -2.516 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217622 781595486 /nfs/dbraw/zinc/59/54/86/781595486.db2.gz ADDJPMFXSBSOOT-IUCAKERBSA-N 1 1 312.326 -2.516 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCOCC(F)F)CCCO1 ZINC001150219241 781596132 /nfs/dbraw/zinc/59/61/32/781596132.db2.gz MTAXVRLPLWSPED-VIFPVBQESA-N 1 1 309.313 -1.040 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150332391 781597345 /nfs/dbraw/zinc/59/73/45/781597345.db2.gz RSYBLTYLHZAGTO-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO COC(=O)C1=NO[C@]2(CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001175503110 781606243 /nfs/dbraw/zinc/60/62/43/781606243.db2.gz IDLWWERABMIIIJ-CYBMUJFWSA-N 1 1 310.310 -1.068 20 0 DAADMO COC(=O)C1=NO[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001175503110 781606245 /nfs/dbraw/zinc/60/62/45/781606245.db2.gz IDLWWERABMIIIJ-CYBMUJFWSA-N 1 1 310.310 -1.068 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)CCNC(N)=O)n1 ZINC001175567554 781607808 /nfs/dbraw/zinc/60/78/08/781607808.db2.gz NTFPTLPRQBVWFX-UHFFFAOYSA-N 1 1 313.362 -1.210 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCCC[NH2+]Cc1cnsn1 ZINC001175541990 781608245 /nfs/dbraw/zinc/60/82/45/781608245.db2.gz RCGVOLHSYSDWQP-UHFFFAOYSA-N 1 1 312.355 -1.314 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCCC[NH2+]Cc1csnn1 ZINC001175568138 781608954 /nfs/dbraw/zinc/60/89/54/781608954.db2.gz XUMAPJHNADBTCG-UHFFFAOYSA-N 1 1 312.355 -1.314 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001175575533 781609085 /nfs/dbraw/zinc/60/90/85/781609085.db2.gz QZMMAPXFCPGAFL-VIFPVBQESA-N 1 1 324.341 -1.038 20 0 DAADMO COc1cncc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001175835293 781612468 /nfs/dbraw/zinc/61/24/68/781612468.db2.gz DGTSRXQBOZZFBE-RDBSUJKOSA-N 1 1 306.370 -1.458 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150578958 781618404 /nfs/dbraw/zinc/61/84/04/781618404.db2.gz HHKGNMXGUWEJMS-WDEREUQCSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150578958 781618408 /nfs/dbraw/zinc/61/84/08/781618408.db2.gz HHKGNMXGUWEJMS-WDEREUQCSA-N 1 1 322.369 -1.557 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3nn[nH]n3)CC[C@@H]2C1 ZINC001176840945 781624210 /nfs/dbraw/zinc/62/42/10/781624210.db2.gz YUZAJVJPLCOVRM-VXGBXAGGSA-N 1 1 324.385 -1.062 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)Cc3nn[nH]n3)CC[C@@H]2C1 ZINC001176840945 781624214 /nfs/dbraw/zinc/62/42/14/781624214.db2.gz YUZAJVJPLCOVRM-VXGBXAGGSA-N 1 1 324.385 -1.062 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907473 781626314 /nfs/dbraw/zinc/62/63/14/781626314.db2.gz QJRBQLULBNGLCR-GHMZBOCLSA-N 1 1 300.359 -1.397 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907473 781626317 /nfs/dbraw/zinc/62/63/17/781626317.db2.gz QJRBQLULBNGLCR-GHMZBOCLSA-N 1 1 300.359 -1.397 20 0 DAADMO Cc1cc(C(F)F)n(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001177010618 781629017 /nfs/dbraw/zinc/62/90/17/781629017.db2.gz SKUFPOBXODSHPX-DLOVCJGASA-N 1 1 315.328 -1.352 20 0 DAADMO Cc1cc(C(F)F)n(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001177010611 781629215 /nfs/dbraw/zinc/62/92/15/781629215.db2.gz SKUFPOBXODSHPX-ADEWGFFLSA-N 1 1 315.328 -1.352 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCOC)[C@H]2C1 ZINC001177024519 781630184 /nfs/dbraw/zinc/63/01/84/781630184.db2.gz IKLMJZINLJREGO-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC)[C@H]2C1 ZINC001177024519 781630191 /nfs/dbraw/zinc/63/01/91/781630191.db2.gz IKLMJZINLJREGO-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@H]21 ZINC001177054569 781630492 /nfs/dbraw/zinc/63/04/92/781630492.db2.gz AXOGOUYVZNNSCZ-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@H]21 ZINC001177054569 781630498 /nfs/dbraw/zinc/63/04/98/781630498.db2.gz AXOGOUYVZNNSCZ-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@H]21 ZINC001177054579 781630699 /nfs/dbraw/zinc/63/06/99/781630699.db2.gz AXOGOUYVZNNSCZ-MNOVXSKESA-N 1 1 320.415 -1.638 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@H]21 ZINC001177054579 781630704 /nfs/dbraw/zinc/63/07/04/781630704.db2.gz AXOGOUYVZNNSCZ-MNOVXSKESA-N 1 1 320.415 -1.638 20 0 DAADMO COc1cccc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)n1 ZINC001178053674 781640705 /nfs/dbraw/zinc/64/07/05/781640705.db2.gz JKPFRIZERMLWJD-RWMBFGLXSA-N 1 1 318.381 -1.359 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2csc(NC=O)n2)[C@H]2NCN[C@H]21 ZINC001178038126 781641751 /nfs/dbraw/zinc/64/17/51/781641751.db2.gz QGOUDCPWERVPOR-IVZWLZJFSA-N 1 1 311.371 -2.227 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(F)cn3)CC2)[C@H]2NCN[C@H]21 ZINC001178084759 781642188 /nfs/dbraw/zinc/64/21/88/781642188.db2.gz UDFQHKCLJSGKHT-QJPTWQEYSA-N 1 1 306.345 -1.229 20 0 DAADMO Cc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001178209745 781643742 /nfs/dbraw/zinc/64/37/42/781643742.db2.gz HVPAIIVECNFADN-WXHSDQCUSA-N 1 1 302.382 -1.059 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178155953 781644622 /nfs/dbraw/zinc/64/46/22/781644622.db2.gz DTHZVKXTCGVVLM-ONGXEEELSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCc1nc[nH]n1 ZINC001178434175 781645716 /nfs/dbraw/zinc/64/57/16/781645716.db2.gz BCYGRNVTGPRGAB-IUCAKERBSA-N 1 1 323.357 -1.489 20 0 DAADMO COc1cnc(F)c(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001178432688 781646412 /nfs/dbraw/zinc/64/64/12/781646412.db2.gz UETCHQSTVZEHFX-WCFLWFBJSA-N 1 1 310.333 -1.709 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@@H]1C ZINC001178563467 781648701 /nfs/dbraw/zinc/64/87/01/781648701.db2.gz KDBSPKWOYITWJE-QXEWZRGKSA-N 1 1 309.374 -1.049 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001178703042 781650900 /nfs/dbraw/zinc/65/09/00/781650900.db2.gz ZKSCAPBJJITVOM-JGTVTFMFSA-N 1 1 304.343 -2.613 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001178703042 781650903 /nfs/dbraw/zinc/65/09/03/781650903.db2.gz ZKSCAPBJJITVOM-JGTVTFMFSA-N 1 1 304.343 -2.613 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)[C@@H]1C ZINC001178839232 781652072 /nfs/dbraw/zinc/65/20/72/781652072.db2.gz CPNMQUMRQXNDRE-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)[C@@H]1C ZINC001178839404 781652760 /nfs/dbraw/zinc/65/27/60/781652760.db2.gz MIUCJRMHUQSKKE-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@@H]1C ZINC001178849145 781653561 /nfs/dbraw/zinc/65/35/61/781653561.db2.gz GSAWOMZIEICTLY-ONGXEEELSA-N 1 1 309.374 -1.177 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001178953675 781654036 /nfs/dbraw/zinc/65/40/36/781654036.db2.gz MMBOLNFXKVFPPT-JOLIMNQDSA-N 1 1 319.358 -3.850 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC3(CC2)CNC(=O)CO3)CC1 ZINC001178950602 781654166 /nfs/dbraw/zinc/65/41/66/781654166.db2.gz VOWUEAWPWYXZSD-UHFFFAOYSA-N 1 1 310.398 -1.259 20 0 DAADMO CN1CCN(C2CN(C(=O)CN3CC[NH+](C)CC3)C2)CC1=O ZINC001178950711 781654573 /nfs/dbraw/zinc/65/45/73/781654573.db2.gz XWIPDPIDAATGKZ-UHFFFAOYSA-N 1 1 309.414 -1.781 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001179303512 781658235 /nfs/dbraw/zinc/65/82/35/781658235.db2.gz FWJSIUDZCWPPNT-UTLUCORTSA-N 1 1 309.374 -1.199 20 0 DAADMO COc1ccc(/C=C/C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1O ZINC001179672419 781661054 /nfs/dbraw/zinc/66/10/54/781661054.db2.gz TZIMAVWOVROXRV-DLRSQQABSA-N 1 1 319.365 -1.067 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C(F)(F)C(F)(F)Cl)[C@H]2NCN[C@@H]21 ZINC001179781702 781662427 /nfs/dbraw/zinc/66/24/27/781662427.db2.gz MKLRJCAODDWYIQ-UOWFLXDJSA-N 1 1 305.663 -1.028 20 0 DAADMO COCCC1(NC(=O)CNC(C)=O)CC[NH+](CC(N)=O)CC1 ZINC001150888908 781663851 /nfs/dbraw/zinc/66/38/51/781663851.db2.gz AGNAKLMANWYZDJ-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](CO)[C@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001206406612 781665600 /nfs/dbraw/zinc/66/56/00/781665600.db2.gz ZQVOSXPNGOAEMU-FQIARQCESA-N 1 1 303.355 -1.101 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc3ccccc3n2)[C@@H]2NCN[C@H]21 ZINC001180300160 781669645 /nfs/dbraw/zinc/66/96/45/781669645.db2.gz FVDSLWIQHMPXKQ-XQQFMLRXSA-N 1 1 302.342 -2.050 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCC(=O)N2CCOCC2)[C@@H]2NCN[C@@H]21 ZINC001180499763 781671525 /nfs/dbraw/zinc/67/15/25/781671525.db2.gz ZFLGERDYPJRDSF-UPJWGTAASA-N 1 1 312.374 -2.856 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@]1(C)C[NH2+]Cc1nnn(C)n1 ZINC001180506584 781671848 /nfs/dbraw/zinc/67/18/48/781671848.db2.gz SNNFIDYNLKTJJY-NOZJJQNGSA-N 1 1 324.389 -1.547 20 0 DAADMO CN(C)c1cccc(OCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001180618208 781673203 /nfs/dbraw/zinc/67/32/03/781673203.db2.gz KFDYKSJZGYYKQU-SOUVJXGZSA-N 1 1 320.397 -1.350 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCCC1 ZINC001180630140 781676083 /nfs/dbraw/zinc/67/60/83/781676083.db2.gz KXSABZIRBFFNJN-DKTYCGPESA-N 1 1 318.370 -2.223 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001180707283 781676502 /nfs/dbraw/zinc/67/65/02/781676502.db2.gz GNVDFYWLCFGUQS-SNVBAGLBSA-N 1 1 307.358 -1.165 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760305 781677780 /nfs/dbraw/zinc/67/77/80/781677780.db2.gz SLTFVSIDYLAVHV-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760305 781677783 /nfs/dbraw/zinc/67/77/83/781677783.db2.gz SLTFVSIDYLAVHV-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001180764475 781677959 /nfs/dbraw/zinc/67/79/59/781677959.db2.gz YQZMAULDGPGXFZ-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001180764475 781677963 /nfs/dbraw/zinc/67/79/63/781677963.db2.gz YQZMAULDGPGXFZ-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO CC(C)C(=O)N1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001180848058 781679037 /nfs/dbraw/zinc/67/90/37/781679037.db2.gz PKQJGSPCQYKKTQ-AGIUHOORSA-N 1 1 324.429 -1.600 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001180897528 781680116 /nfs/dbraw/zinc/68/01/16/781680116.db2.gz LFNOVYBWECJOOF-SECBINFHSA-N 1 1 313.337 -1.394 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)n1 ZINC001180907031 781680411 /nfs/dbraw/zinc/68/04/11/781680411.db2.gz PFQKJQMNKUEDEO-SNVBAGLBSA-N 1 1 309.374 -1.035 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001180897584 781681062 /nfs/dbraw/zinc/68/10/62/781681062.db2.gz NICCQANCZIKWIN-SECBINFHSA-N 1 1 323.357 -1.833 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001150983798 781681737 /nfs/dbraw/zinc/68/17/37/781681737.db2.gz DXMZUWKMYJVROH-UHFFFAOYSA-N 1 1 307.314 -1.568 20 0 DAADMO COC(=O)C1CC2(C1)CC(C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C2 ZINC001181065242 781682814 /nfs/dbraw/zinc/68/28/14/781682814.db2.gz UJBGIZLHHOMXAC-QRHQKYTCSA-N 1 1 323.397 -1.515 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001181295293 781685899 /nfs/dbraw/zinc/68/58/99/781685899.db2.gz RVIVDKYZXZZXCS-RKDXNWHRSA-N 1 1 311.346 -1.182 20 0 DAADMO CC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001181228740 781686078 /nfs/dbraw/zinc/68/60/78/781686078.db2.gz FTBZRDFJUNSRKO-CRWXNKLISA-N 1 1 318.381 -1.617 20 0 DAADMO CNC(=O)C[NH+]1CCC(CCOC)(NC(=O)CC(N)=O)CC1 ZINC001151037035 781687716 /nfs/dbraw/zinc/68/77/16/781687716.db2.gz BQNAGOVEINAVLI-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO COCCC1(NC(=O)CC(N)=O)CC[NH+](CC(N)=O)CC1 ZINC001151037521 781687957 /nfs/dbraw/zinc/68/79/57/781687957.db2.gz QBLTVLKTZWDEMO-UHFFFAOYSA-N 1 1 300.359 -1.666 20 0 DAADMO CCNC(=O)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001181578743 781689722 /nfs/dbraw/zinc/68/97/22/781689722.db2.gz FGXMXMZHRCRSRL-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccccc3)COC2)[C@H]2NCN[C@@H]21 ZINC001181560500 781690012 /nfs/dbraw/zinc/69/00/12/781690012.db2.gz CPESLBJBWQPJBA-JHJVBQTASA-N 1 1 303.366 -1.526 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CC(O)(c3ccccc3)C2)[C@@H]2NCN[C@@H]21 ZINC001181661769 781691407 /nfs/dbraw/zinc/69/14/07/781691407.db2.gz HFXFRRVPISZUMZ-TUWFXWMISA-N 1 1 317.393 -1.197 20 0 DAADMO COc1ccc(F)cc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181695317 781691418 /nfs/dbraw/zinc/69/14/18/781691418.db2.gz VLDWTBGDOIFHHZ-MELADBBJSA-N 1 1 309.345 -1.104 20 0 DAADMO COc1ccc(COCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001181754951 781693095 /nfs/dbraw/zinc/69/30/95/781693095.db2.gz GMRMTLQDHMBVPV-KKUMJFAQSA-N 1 1 321.381 -1.269 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]2NCN[C@@H]21 ZINC001181901947 781694848 /nfs/dbraw/zinc/69/48/48/781694848.db2.gz LJMINQMUVQQGGG-UMSGYPCISA-N 1 1 305.338 -1.655 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001181982758 781696599 /nfs/dbraw/zinc/69/65/99/781696599.db2.gz RGQYDUDISZFOAX-MDVDOTDZSA-N 1 1 318.370 -2.367 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001182064364 781698460 /nfs/dbraw/zinc/69/84/60/781698460.db2.gz IPYKGGFOHMMILV-MCIONIFRSA-N 1 1 301.354 -1.376 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001182193684 781700368 /nfs/dbraw/zinc/70/03/68/781700368.db2.gz ALTNJZJMAHDHCQ-HRDYMLBCSA-N 1 1 310.362 -1.482 20 0 DAADMO NC(=O)CC1(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CCCCC1 ZINC001182185496 781700786 /nfs/dbraw/zinc/70/07/86/781700786.db2.gz PDMLWTSDMUXRRV-RDBSUJKOSA-N 1 1 324.429 -1.279 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001182156246 781701056 /nfs/dbraw/zinc/70/10/56/781701056.db2.gz GAAPHIQIHQDQGY-MRVPVSSYSA-N 1 1 307.310 -1.214 20 0 DAADMO CC(=O)O[C@H]1CO[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)S1 ZINC001182207499 781701968 /nfs/dbraw/zinc/70/19/68/781701968.db2.gz HOIXYKBDISXGMQ-ABCHNEDTSA-N 1 1 317.371 -2.516 20 0 DAADMO CN(CC[NH2+]CCNC(=O)CN1CCCC1)S(C)(=O)=O ZINC001151097789 781702178 /nfs/dbraw/zinc/70/21/78/781702178.db2.gz SDHHYUBHBLJKAM-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001110268465 781702239 /nfs/dbraw/zinc/70/22/39/781702239.db2.gz HJIHNBBUZIDNOX-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001110268465 781702242 /nfs/dbraw/zinc/70/22/42/781702242.db2.gz HJIHNBBUZIDNOX-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO COCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001182198876 781702398 /nfs/dbraw/zinc/70/23/98/781702398.db2.gz KHNZCIHGTSAKJL-SOUVJXGZSA-N 1 1 305.382 -1.105 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001151152471 781703732 /nfs/dbraw/zinc/70/37/32/781703732.db2.gz ULMYVJFWEIKPJW-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO COCCC1(NC(=O)c2cn(C)nn2)CC[NH+](CC(N)=O)CC1 ZINC001151115543 781703812 /nfs/dbraw/zinc/70/38/12/781703812.db2.gz ZLBSNWDYXPHEHG-UHFFFAOYSA-N 1 1 324.385 -1.099 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001110273171 781704485 /nfs/dbraw/zinc/70/44/85/781704485.db2.gz DMLOKKJPZQOWNL-MXWKQRLJSA-N 1 1 307.358 -1.332 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001182554184 781708732 /nfs/dbraw/zinc/70/87/32/781708732.db2.gz RDLCDAZIXXMSIC-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)NC(N)=O ZINC001182531410 781709525 /nfs/dbraw/zinc/70/95/25/781709525.db2.gz XQIKJDSGXWFGSZ-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2ccc3c(c2)CCO3)[C@H]2NCN[C@@H]21 ZINC001182666872 781710475 /nfs/dbraw/zinc/71/04/75/781710475.db2.gz YPNGPDNUBOQOPR-AAVRWANBSA-N 1 1 319.365 -1.826 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2ccc3c(c2)CCO3)[C@H]2NCN[C@H]21 ZINC001182666874 781711375 /nfs/dbraw/zinc/71/13/75/781711375.db2.gz YPNGPDNUBOQOPR-REWJHTLYSA-N 1 1 319.365 -1.826 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2ccc3c(c2)CCO3)[C@@H]2NCN[C@@H]21 ZINC001182666875 781711386 /nfs/dbraw/zinc/71/13/86/781711386.db2.gz YPNGPDNUBOQOPR-SYQHCUMBSA-N 1 1 319.365 -1.826 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182802054 781711687 /nfs/dbraw/zinc/71/16/87/781711687.db2.gz HHSQJOXGTAOEER-VHSXEESVSA-N 1 1 311.342 -1.089 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001182802648 781711732 /nfs/dbraw/zinc/71/17/32/781711732.db2.gz LRMAQLCJILBPJG-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cn3cccnc3n2)[C@H]2NCN[C@H]21 ZINC001182761921 781711871 /nfs/dbraw/zinc/71/18/71/781711871.db2.gz ILUHZXHCVJCGPW-QJPTWQEYSA-N 1 1 302.342 -2.209 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001182803051 781711898 /nfs/dbraw/zinc/71/18/98/781711898.db2.gz RHJISYDLTBGBKU-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001182803050 781712047 /nfs/dbraw/zinc/71/20/47/781712047.db2.gz RHJISYDLTBGBKU-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCOCCS(C)(=O)=O)CC1 ZINC001182746214 781712209 /nfs/dbraw/zinc/71/22/09/781712209.db2.gz ONTIGJPSNYIQQY-UHFFFAOYSA-N 1 1 307.416 -1.589 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001182803052 781712583 /nfs/dbraw/zinc/71/25/83/781712583.db2.gz RMFZMPNBZYGXHN-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001182765763 781714135 /nfs/dbraw/zinc/71/41/35/781714135.db2.gz TUKHRWRNBDSKJH-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(CC(=O)NCCN1CCC[N@@H+](C)CC1)S(C)(=O)=O ZINC001182884148 781715160 /nfs/dbraw/zinc/71/51/60/781715160.db2.gz YSOPJYJUOYWVOM-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001183015823 781717823 /nfs/dbraw/zinc/71/78/23/781717823.db2.gz OJIKZWSSBJLVSW-SNVBAGLBSA-N 1 1 311.342 -1.135 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001183024402 781720420 /nfs/dbraw/zinc/72/04/20/781720420.db2.gz AUVYBJYTVQNYLQ-UHFFFAOYSA-N 1 1 303.384 -1.674 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055079 781720889 /nfs/dbraw/zinc/72/08/89/781720889.db2.gz NLKLKZQFGPQEPM-SNVBAGLBSA-N 1 1 309.374 -1.083 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)nn1 ZINC001151306456 781722320 /nfs/dbraw/zinc/72/23/20/781722320.db2.gz HRZOIGCTUJWFRS-SNVBAGLBSA-N 1 1 316.387 -1.805 20 0 DAADMO COC(=O)[C@H]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001183434813 781726300 /nfs/dbraw/zinc/72/63/00/781726300.db2.gz XULWECJBKBPTAW-HTFCKZLJSA-N 1 1 311.386 -1.515 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183677270 781728305 /nfs/dbraw/zinc/72/83/05/781728305.db2.gz OIWCNZNREPHXBU-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001183721507 781732703 /nfs/dbraw/zinc/73/27/03/781732703.db2.gz IFHNILRRDGDCLB-GFCCVEGCSA-N 1 1 323.353 -1.383 20 0 DAADMO CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)CNC3=O)C[C@H]2C1 ZINC001183729834 781734308 /nfs/dbraw/zinc/73/43/08/781734308.db2.gz UTEUQMNMPCWPSE-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001151373255 781738043 /nfs/dbraw/zinc/73/80/43/781738043.db2.gz LKORIIFPWNOQEU-UHFFFAOYSA-N 1 1 322.366 -1.997 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373832 781739104 /nfs/dbraw/zinc/73/91/04/781739104.db2.gz ZLAZOYQSSNAIFQ-UHFFFAOYSA-N 1 1 304.376 -1.947 20 0 DAADMO COC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)C(C)C ZINC001183950280 781739240 /nfs/dbraw/zinc/73/92/40/781739240.db2.gz MSUFEYGRAGGQAN-AATLWQCWSA-N 1 1 300.363 -2.114 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2noc3cc(O)ccc23)[C@@H]2NCN[C@@H]21 ZINC001183992829 781739571 /nfs/dbraw/zinc/73/95/71/781739571.db2.gz MZYDROUNDZPJMT-MCIONIFRSA-N 1 1 318.337 -1.405 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001151379417 781739721 /nfs/dbraw/zinc/73/97/21/781739721.db2.gz CKDSYBNGHVYJQF-ZETCQYMHSA-N 1 1 305.364 -2.474 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC)[nH]1 ZINC001151379913 781740937 /nfs/dbraw/zinc/74/09/37/781740937.db2.gz XQPZPXMEDYTRNQ-MRVPVSSYSA-N 1 1 318.403 -1.317 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115093601 781743305 /nfs/dbraw/zinc/74/33/05/781743305.db2.gz GGSQDAZQUZDXAI-HBYGRHMLSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115093601 781743311 /nfs/dbraw/zinc/74/33/11/781743311.db2.gz GGSQDAZQUZDXAI-HBYGRHMLSA-N 1 1 308.382 -1.305 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184131714 781743522 /nfs/dbraw/zinc/74/35/22/781743522.db2.gz MEWKNXLOPUJMQM-RUZUBIRVSA-N 1 1 310.402 -1.703 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151399712 781745442 /nfs/dbraw/zinc/74/54/42/781745442.db2.gz KZEBXRYZPKWOAY-UHFFFAOYSA-N 1 1 303.388 -1.156 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2=NOC3(C2)CCCCC3)[C@@H]2NCN[C@H]21 ZINC001184697118 781750920 /nfs/dbraw/zinc/75/09/20/781750920.db2.gz KJYQWEPHTHOVFX-TUAOUCFPSA-N 1 1 308.386 -1.015 20 0 DAADMO CN1CCN(C)[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001185267542 781756815 /nfs/dbraw/zinc/75/68/15/781756815.db2.gz ULHFUEWMYLSZKN-SNVBAGLBSA-N 1 1 303.367 -2.103 20 0 DAADMO CN1CCN(C2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)CC1=O ZINC001185250201 781757634 /nfs/dbraw/zinc/75/76/34/781757634.db2.gz DECUOIWIMXVNLK-CYBMUJFWSA-N 1 1 309.414 -1.783 20 0 DAADMO CN1CCN(C2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)CC1=O ZINC001185250204 781757771 /nfs/dbraw/zinc/75/77/71/781757771.db2.gz DECUOIWIMXVNLK-ZDUSSCGKSA-N 1 1 309.414 -1.783 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001185266992 781757831 /nfs/dbraw/zinc/75/78/31/781757831.db2.gz KJUNKVNSLSYUIC-LBPRGKRZSA-N 1 1 324.381 -1.710 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001185266926 781758193 /nfs/dbraw/zinc/75/81/93/781758193.db2.gz JPUJWEBNRQNCCB-KKKAVLQASA-N 1 1 319.358 -3.852 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185246163 781758285 /nfs/dbraw/zinc/75/82/85/781758285.db2.gz TVPYOGJUIWVQBM-HUBLWGQQSA-N 1 1 311.382 -1.120 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2cnc3ccc(F)cc32)[C@H]2NCN[C@@H]21 ZINC001185347374 781758787 /nfs/dbraw/zinc/75/87/87/781758787.db2.gz FFFMCGULRXQEHS-MGPQQGTHSA-N 1 1 319.344 -1.306 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2cnc3ccc(F)cc32)[C@@H]2NCN[C@@H]21 ZINC001185347372 781759862 /nfs/dbraw/zinc/75/98/62/781759862.db2.gz FFFMCGULRXQEHS-MCIONIFRSA-N 1 1 319.344 -1.306 20 0 DAADMO COc1nc(OC)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1C ZINC001185443826 781760963 /nfs/dbraw/zinc/76/09/63/781760963.db2.gz ZBBSWXJKBSTFFL-GARJFASQSA-N 1 1 322.369 -1.460 20 0 DAADMO COc1nc(OC)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1C ZINC001185443828 781761511 /nfs/dbraw/zinc/76/15/11/781761511.db2.gz ZBBSWXJKBSTFFL-VWYCJHECSA-N 1 1 322.369 -1.460 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(C)c1 ZINC001185772435 781765901 /nfs/dbraw/zinc/76/59/01/781765901.db2.gz ZEKXURATKAXISZ-AGIUHOORSA-N 1 1 319.365 -1.086 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098332 781766090 /nfs/dbraw/zinc/76/60/90/781766090.db2.gz FRAOXSWZYOWRSC-MSRIBSCDSA-N 1 1 306.370 -1.080 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098332 781766096 /nfs/dbraw/zinc/76/60/96/781766096.db2.gz FRAOXSWZYOWRSC-MSRIBSCDSA-N 1 1 306.370 -1.080 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185856857 781767459 /nfs/dbraw/zinc/76/74/59/781767459.db2.gz VEEIGZSXKZWRRA-ZDUSSCGKSA-N 1 1 324.385 -1.340 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186037913 781769904 /nfs/dbraw/zinc/76/99/04/781769904.db2.gz LVKRRGSZUBZBFT-ZDUSSCGKSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001186034947 781770103 /nfs/dbraw/zinc/77/01/03/781770103.db2.gz XQYCRCVNFNDVQA-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001186034949 781770616 /nfs/dbraw/zinc/77/06/16/781770616.db2.gz XQYCRCVNFNDVQA-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186038320 781770972 /nfs/dbraw/zinc/77/09/72/781770972.db2.gz OYVNCKLVCFFVHG-NSHDSACASA-N 1 1 322.369 -1.677 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186038320 781770982 /nfs/dbraw/zinc/77/09/82/781770982.db2.gz OYVNCKLVCFFVHG-NSHDSACASA-N 1 1 322.369 -1.677 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186039756 781771062 /nfs/dbraw/zinc/77/10/62/781771062.db2.gz ZVQYTNUYKMXECG-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186039756 781771066 /nfs/dbraw/zinc/77/10/66/781771066.db2.gz ZVQYTNUYKMXECG-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001186037509 781771116 /nfs/dbraw/zinc/77/11/16/781771116.db2.gz HWEBXLQMIPJOMV-JTQLQIEISA-N 1 1 323.353 -1.136 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186037509 781771128 /nfs/dbraw/zinc/77/11/28/781771128.db2.gz HWEBXLQMIPJOMV-JTQLQIEISA-N 1 1 323.353 -1.136 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186056335 781771887 /nfs/dbraw/zinc/77/18/87/781771887.db2.gz XWOGYTSNQJJTKE-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186056335 781771890 /nfs/dbraw/zinc/77/18/90/781771890.db2.gz XWOGYTSNQJJTKE-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CO)[C@@H](O)C2)C1 ZINC001186101669 781772034 /nfs/dbraw/zinc/77/20/34/781772034.db2.gz YEGUGPYFNXPMAX-TUAOUCFPSA-N 1 1 300.355 -1.317 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055958 781772166 /nfs/dbraw/zinc/77/21/66/781772166.db2.gz WNHFAGGQHUPPRN-NEPJUHHUSA-N 1 1 310.354 -1.313 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055958 781772172 /nfs/dbraw/zinc/77/21/72/781772172.db2.gz WNHFAGGQHUPPRN-NEPJUHHUSA-N 1 1 310.354 -1.313 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186045485 781772610 /nfs/dbraw/zinc/77/26/10/781772610.db2.gz UEYBTEUOYKJBSS-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(C)c1cccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001186076960 781772834 /nfs/dbraw/zinc/77/28/34/781772834.db2.gz RFSKDJILKPHKNJ-QLFBSQMISA-N 1 1 304.398 -1.186 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)C1 ZINC001186116691 781774314 /nfs/dbraw/zinc/77/43/14/781774314.db2.gz LEHIMDRXSWDKSN-IELRGYKMSA-N 1 1 312.374 -3.000 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)c1nnnn1C ZINC001186177731 781774347 /nfs/dbraw/zinc/77/43/47/781774347.db2.gz RUSYPPUVIVFGSV-VHSXEESVSA-N 1 1 309.374 -1.060 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001186321681 781776137 /nfs/dbraw/zinc/77/61/37/781776137.db2.gz NZQHCKGIDLEXLU-SECBINFHSA-N 1 1 307.358 -1.573 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001186603300 781784630 /nfs/dbraw/zinc/78/46/30/781784630.db2.gz UOFMLAOMFKEDMR-RYUDHWBXSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001186693459 781787282 /nfs/dbraw/zinc/78/72/82/781787282.db2.gz LWUAFXMLVMGFCU-VHSXEESVSA-N 1 1 311.342 -2.150 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001186693459 781787287 /nfs/dbraw/zinc/78/72/87/781787287.db2.gz LWUAFXMLVMGFCU-VHSXEESVSA-N 1 1 311.342 -2.150 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001186693805 781787795 /nfs/dbraw/zinc/78/77/95/781787795.db2.gz UUDFTZQZVVAYTJ-WCQYABFASA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001186693805 781787799 /nfs/dbraw/zinc/78/77/99/781787799.db2.gz UUDFTZQZVVAYTJ-WCQYABFASA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186697872 781788012 /nfs/dbraw/zinc/78/80/12/781788012.db2.gz RJBVNIUARZUQGC-SDDRHHMPSA-N 1 1 322.365 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778327 781789343 /nfs/dbraw/zinc/78/93/43/781789343.db2.gz MHRBAUUXZJDSDT-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778327 781789349 /nfs/dbraw/zinc/78/93/49/781789349.db2.gz MHRBAUUXZJDSDT-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001186778300 781789606 /nfs/dbraw/zinc/78/96/06/781789606.db2.gz LGTQPXAVAVPTTH-GXSJLCMTSA-N 1 1 320.353 -1.239 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001186778300 781789613 /nfs/dbraw/zinc/78/96/13/781789613.db2.gz LGTQPXAVAVPTTH-GXSJLCMTSA-N 1 1 320.353 -1.239 20 0 DAADMO COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186804757 781789694 /nfs/dbraw/zinc/78/96/94/781789694.db2.gz WOPOHJCDLAOWEQ-NWDGAFQWSA-N 1 1 314.386 -1.150 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778251 781790117 /nfs/dbraw/zinc/79/01/17/781790117.db2.gz IZMHPSLIYHTIIO-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778251 781790120 /nfs/dbraw/zinc/79/01/20/781790120.db2.gz IZMHPSLIYHTIIO-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186819351 781790834 /nfs/dbraw/zinc/79/08/34/781790834.db2.gz OCKDKCNYHIBVTC-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186819351 781790841 /nfs/dbraw/zinc/79/08/41/781790841.db2.gz OCKDKCNYHIBVTC-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186819169 781791736 /nfs/dbraw/zinc/79/17/36/781791736.db2.gz MRVBNSGBNCRDTF-GXSJLCMTSA-N 1 1 307.358 -1.484 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186819169 781791742 /nfs/dbraw/zinc/79/17/42/781791742.db2.gz MRVBNSGBNCRDTF-GXSJLCMTSA-N 1 1 307.358 -1.484 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186812368 781791914 /nfs/dbraw/zinc/79/19/14/781791914.db2.gz OBFVHJZIPIBDEK-GARJFASQSA-N 1 1 309.370 -1.582 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001186811444 781792261 /nfs/dbraw/zinc/79/22/61/781792261.db2.gz HVLCXLDOVMXCOU-WDEREUQCSA-N 1 1 307.358 -1.521 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001186813375 781792430 /nfs/dbraw/zinc/79/24/30/781792430.db2.gz YMQYQYMUFTXETQ-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001186813375 781792436 /nfs/dbraw/zinc/79/24/36/781792436.db2.gz YMQYQYMUFTXETQ-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)n1 ZINC001151588180 781792552 /nfs/dbraw/zinc/79/25/52/781792552.db2.gz XMACDIZNVUECCY-ZDUSSCGKSA-N 1 1 324.385 -1.249 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001186968402 781793509 /nfs/dbraw/zinc/79/35/09/781793509.db2.gz MRKFMAABBKKBEP-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO COCCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186911341 781793723 /nfs/dbraw/zinc/79/37/23/781793723.db2.gz AOIJNZUJTAJXMJ-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001187017091 781793745 /nfs/dbraw/zinc/79/37/45/781793745.db2.gz QSIRWAYGUCFBAP-YNEHKIRRSA-N 1 1 320.393 -1.066 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001186959186 781793944 /nfs/dbraw/zinc/79/39/44/781793944.db2.gz QPEHFABGEFQTHA-WCBMZHEXSA-N 1 1 306.326 -1.249 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001186959186 781793950 /nfs/dbraw/zinc/79/39/50/781793950.db2.gz QPEHFABGEFQTHA-WCBMZHEXSA-N 1 1 306.326 -1.249 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)CCCc2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001187058030 781794729 /nfs/dbraw/zinc/79/47/29/781794729.db2.gz HAYIAEGFGJGJBZ-TUVASFSCSA-N 1 1 319.409 -1.111 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001187101468 781795178 /nfs/dbraw/zinc/79/51/78/781795178.db2.gz MFDQLGJRSLCJHY-HBNTYKKESA-N 1 1 310.354 -1.250 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001187101468 781795183 /nfs/dbraw/zinc/79/51/83/781795183.db2.gz MFDQLGJRSLCJHY-HBNTYKKESA-N 1 1 310.354 -1.250 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001187071443 781796278 /nfs/dbraw/zinc/79/62/78/781796278.db2.gz CEWIGSLRPLJHMO-HBNTYKKESA-N 1 1 310.354 -1.236 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001187071442 781796436 /nfs/dbraw/zinc/79/64/36/781796436.db2.gz CEWIGSLRPLJHMO-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001273537331 781796901 /nfs/dbraw/zinc/79/69/01/781796901.db2.gz FWKFOUUBXFBWOX-SDDRHHMPSA-N 1 1 312.370 -2.238 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001187645709 781802480 /nfs/dbraw/zinc/80/24/80/781802480.db2.gz FMWOFHVVSOOHEH-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001187645709 781802488 /nfs/dbraw/zinc/80/24/88/781802488.db2.gz FMWOFHVVSOOHEH-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001187622689 781802723 /nfs/dbraw/zinc/80/27/23/781802723.db2.gz TVYBUPISQGFEJJ-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001187682951 781804799 /nfs/dbraw/zinc/80/47/99/781804799.db2.gz GJAUVJOKLOXVAS-JBLDHEPKSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001187682951 781804808 /nfs/dbraw/zinc/80/48/08/781804808.db2.gz GJAUVJOKLOXVAS-JBLDHEPKSA-N 1 1 323.397 -1.146 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187744028 781806789 /nfs/dbraw/zinc/80/67/89/781806789.db2.gz SCUXHMSLEBAANH-HOSYDEDBSA-N 1 1 312.370 -1.269 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187744028 781806795 /nfs/dbraw/zinc/80/67/95/781806795.db2.gz SCUXHMSLEBAANH-HOSYDEDBSA-N 1 1 312.370 -1.269 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001187919711 781810062 /nfs/dbraw/zinc/81/00/62/781810062.db2.gz TXNAYYKWJDXMIG-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 ZINC001187911551 781810891 /nfs/dbraw/zinc/81/08/91/781810891.db2.gz HFFGUSDCXXUFRC-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 ZINC001187911551 781810898 /nfs/dbraw/zinc/81/08/98/781810898.db2.gz HFFGUSDCXXUFRC-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051237 781812092 /nfs/dbraw/zinc/81/20/92/781812092.db2.gz KWVXBPMBJUIBQZ-YNEHKIRRSA-N 1 1 309.370 -1.182 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930480 781812113 /nfs/dbraw/zinc/81/21/13/781812113.db2.gz SYFOWEANVCSXKK-DTWKUNHWSA-N 1 1 322.329 -2.599 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930480 781812125 /nfs/dbraw/zinc/81/21/25/781812125.db2.gz SYFOWEANVCSXKK-DTWKUNHWSA-N 1 1 322.329 -2.599 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001187996989 781812527 /nfs/dbraw/zinc/81/25/27/781812527.db2.gz KVEGESGYFNSLOY-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001187996989 781812535 /nfs/dbraw/zinc/81/25/35/781812535.db2.gz KVEGESGYFNSLOY-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001188132543 781813844 /nfs/dbraw/zinc/81/38/44/781813844.db2.gz JVZMEXFAWHGHFW-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001188107800 781814373 /nfs/dbraw/zinc/81/43/73/781814373.db2.gz YYYHIRVAAGMVKO-WDEREUQCSA-N 1 1 305.400 -1.597 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NCC(F)(F)F)C(=O)C(N)=O ZINC001273553947 781815578 /nfs/dbraw/zinc/81/55/78/781815578.db2.gz KWNJCRKSYHFUJX-UHFFFAOYSA-N 1 1 312.292 -1.070 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001188151506 781815612 /nfs/dbraw/zinc/81/56/12/781815612.db2.gz GZSZARORHDSIIJ-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001188152181 781816196 /nfs/dbraw/zinc/81/61/96/781816196.db2.gz SDHGZOVTOHLGCM-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001188152246 781816242 /nfs/dbraw/zinc/81/62/42/781816242.db2.gz TWWDUDANPKVXCV-QJPTWQEYSA-N 1 1 314.386 -1.545 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428649 781819552 /nfs/dbraw/zinc/81/95/52/781819552.db2.gz ZULPATLNMFZDIW-OYNCUSHFSA-N 1 1 321.341 -1.466 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428649 781819560 /nfs/dbraw/zinc/81/95/60/781819560.db2.gz ZULPATLNMFZDIW-OYNCUSHFSA-N 1 1 321.341 -1.466 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCCS2(=O)=O)[nH]1 ZINC001151686489 781819690 /nfs/dbraw/zinc/81/96/90/781819690.db2.gz ZEIULNOMPYRGFL-SECBINFHSA-N 1 1 301.372 -1.104 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C(F)F)c2=O)[C@@H]2NCN[C@H]21 ZINC001188533911 781822980 /nfs/dbraw/zinc/82/29/80/781822980.db2.gz FANGKOHLMGSRCQ-YIZRAAEISA-N 1 1 314.296 -1.624 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188793560 781823803 /nfs/dbraw/zinc/82/38/03/781823803.db2.gz SGZROGKCJZNRAX-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188793560 781823813 /nfs/dbraw/zinc/82/38/13/781823813.db2.gz SGZROGKCJZNRAX-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188732226 781823955 /nfs/dbraw/zinc/82/39/55/781823955.db2.gz ZAHLVPJQMSEHOH-WDEREUQCSA-N 1 1 320.415 -2.045 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001188723942 781824308 /nfs/dbraw/zinc/82/43/08/781824308.db2.gz JOYAIOCKPBVRDC-VHSXEESVSA-N 1 1 308.379 -1.458 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001188723942 781824318 /nfs/dbraw/zinc/82/43/18/781824318.db2.gz JOYAIOCKPBVRDC-VHSXEESVSA-N 1 1 308.379 -1.458 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755986 781824966 /nfs/dbraw/zinc/82/49/66/781824966.db2.gz DUMAGDFFQRDPKY-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755986 781824973 /nfs/dbraw/zinc/82/49/73/781824973.db2.gz DUMAGDFFQRDPKY-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001188724447 781826010 /nfs/dbraw/zinc/82/60/10/781826010.db2.gz UIHFNMJWTWGULO-OUAUKWLOSA-N 1 1 320.415 -2.046 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755983 781826108 /nfs/dbraw/zinc/82/61/08/781826108.db2.gz DUMAGDFFQRDPKY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755983 781826119 /nfs/dbraw/zinc/82/61/19/781826119.db2.gz DUMAGDFFQRDPKY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811826 781826469 /nfs/dbraw/zinc/82/64/69/781826469.db2.gz GXSPBEWGMQXWBA-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811826 781826478 /nfs/dbraw/zinc/82/64/78/781826478.db2.gz GXSPBEWGMQXWBA-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785570 781826515 /nfs/dbraw/zinc/82/65/15/781826515.db2.gz XALUDPRFPHOEKM-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785570 781826524 /nfs/dbraw/zinc/82/65/24/781826524.db2.gz XALUDPRFPHOEKM-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001188802984 781827454 /nfs/dbraw/zinc/82/74/54/781827454.db2.gz FFRMMNDMQIISAG-JTQLQIEISA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001188802984 781827465 /nfs/dbraw/zinc/82/74/65/781827465.db2.gz FFRMMNDMQIISAG-JTQLQIEISA-N 1 1 308.342 -1.239 20 0 DAADMO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784929 781827548 /nfs/dbraw/zinc/82/75/48/781827548.db2.gz SPOOHVJLMCEQMH-LBPRGKRZSA-N 1 1 312.374 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188783266 781827920 /nfs/dbraw/zinc/82/79/20/781827920.db2.gz AIRLHBKWPGWQAN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188783266 781827928 /nfs/dbraw/zinc/82/79/28/781827928.db2.gz AIRLHBKWPGWQAN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812120 781828048 /nfs/dbraw/zinc/82/80/48/781828048.db2.gz IZLSSDQWXYIUHG-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812120 781828059 /nfs/dbraw/zinc/82/80/59/781828059.db2.gz IZLSSDQWXYIUHG-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001188811416 781828330 /nfs/dbraw/zinc/82/83/30/781828330.db2.gz CHRGWOOIGDMZDU-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001188811416 781828339 /nfs/dbraw/zinc/82/83/39/781828339.db2.gz CHRGWOOIGDMZDU-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829167 781828444 /nfs/dbraw/zinc/82/84/44/781828444.db2.gz SDWLHRVZYRCQJS-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829167 781828456 /nfs/dbraw/zinc/82/84/56/781828456.db2.gz SDWLHRVZYRCQJS-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828696 781828895 /nfs/dbraw/zinc/82/88/95/781828895.db2.gz OPACAPVPPVSPGD-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828696 781828905 /nfs/dbraw/zinc/82/89/05/781828905.db2.gz OPACAPVPPVSPGD-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188861400 781829613 /nfs/dbraw/zinc/82/96/13/781829613.db2.gz CRBNLDOKQQNOQI-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001273571215 781831609 /nfs/dbraw/zinc/83/16/09/781831609.db2.gz BRZNQMMDSIRQFE-UHFFFAOYSA-N 1 1 312.370 -1.301 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188949005 781831641 /nfs/dbraw/zinc/83/16/41/781831641.db2.gz PEQASQIXZBYKDB-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813853 781831731 /nfs/dbraw/zinc/83/17/31/781831731.db2.gz QKTFZVAXKOIFFU-JGVFFNPUSA-N 1 1 314.346 -2.229 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CNC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001188827378 781831784 /nfs/dbraw/zinc/83/17/84/781831784.db2.gz AVPHRLASRAMXPI-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188949016 781831810 /nfs/dbraw/zinc/83/18/10/781831810.db2.gz PEQASQIXZBYKDB-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(C(F)(F)F)n1 ZINC001188963159 781832790 /nfs/dbraw/zinc/83/27/90/781832790.db2.gz DBGKKWJBJFYZRB-BWVDBABLSA-N 1 1 319.291 -1.428 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188973396 781832987 /nfs/dbraw/zinc/83/29/87/781832987.db2.gz GZDLJNYMZVTUTQ-JTQLQIEISA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188973396 781832997 /nfs/dbraw/zinc/83/29/97/781832997.db2.gz GZDLJNYMZVTUTQ-JTQLQIEISA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001188974059 781833746 /nfs/dbraw/zinc/83/37/46/781833746.db2.gz KJQKYJYMKSPCDH-RYUDHWBXSA-N 1 1 324.381 -1.197 20 0 DAADMO CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)S(C)(=O)=O ZINC001188985832 781833809 /nfs/dbraw/zinc/83/38/09/781833809.db2.gz UIUWTVPIYKOZQD-VHSXEESVSA-N 1 1 318.399 -2.104 20 0 DAADMO CN(CC[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)S(C)(=O)=O ZINC001188985832 781833819 /nfs/dbraw/zinc/83/38/19/781833819.db2.gz UIUWTVPIYKOZQD-VHSXEESVSA-N 1 1 318.399 -2.104 20 0 DAADMO Cn1nc(C(C)(C)C)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001189044012 781834110 /nfs/dbraw/zinc/83/41/10/781834110.db2.gz TZAQAVRFXUEDEC-WOPDTQHZSA-N 1 1 307.402 -1.150 20 0 DAADMO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189151047 781835039 /nfs/dbraw/zinc/83/50/39/781835039.db2.gz JCCUNGWGAFFVNW-NSHDSACASA-N 1 1 308.400 -1.427 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189151047 781835050 /nfs/dbraw/zinc/83/50/50/781835050.db2.gz JCCUNGWGAFFVNW-NSHDSACASA-N 1 1 308.400 -1.427 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc(OC)n1 ZINC001189100461 781835377 /nfs/dbraw/zinc/83/53/77/781835377.db2.gz VVVWFVUKWFTOHB-GUBZILKMSA-N 1 1 309.330 -2.374 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(OC)nn1 ZINC001189082156 781835918 /nfs/dbraw/zinc/83/59/18/781835918.db2.gz OIAFOBBATDHGBB-GUBZILKMSA-N 1 1 309.330 -2.374 20 0 DAADMO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189151035 781836312 /nfs/dbraw/zinc/83/63/12/781836312.db2.gz JCCUNGWGAFFVNW-LLVKDONJSA-N 1 1 308.400 -1.427 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189151035 781836318 /nfs/dbraw/zinc/83/63/18/781836318.db2.gz JCCUNGWGAFFVNW-LLVKDONJSA-N 1 1 308.400 -1.427 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc(OC)n1 ZINC001189100467 781836392 /nfs/dbraw/zinc/83/63/92/781836392.db2.gz VVVWFVUKWFTOHB-UTLUCORTSA-N 1 1 309.330 -2.374 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189237787 781837097 /nfs/dbraw/zinc/83/70/97/781837097.db2.gz LAQOUUNGTFSYHL-LPEHRKFASA-N 1 1 318.399 -2.058 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189237787 781837104 /nfs/dbraw/zinc/83/71/04/781837104.db2.gz LAQOUUNGTFSYHL-LPEHRKFASA-N 1 1 318.399 -2.058 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189237785 781837491 /nfs/dbraw/zinc/83/74/91/781837491.db2.gz LAQOUUNGTFSYHL-KXUCPTDWSA-N 1 1 318.399 -2.058 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189237785 781837496 /nfs/dbraw/zinc/83/74/96/781837496.db2.gz LAQOUUNGTFSYHL-KXUCPTDWSA-N 1 1 318.399 -2.058 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390513 781837510 /nfs/dbraw/zinc/83/75/10/781837510.db2.gz RJURFCYPYSPSLC-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357433 781837842 /nfs/dbraw/zinc/83/78/42/781837842.db2.gz ZMUPLPKHFIOEOD-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357433 781837854 /nfs/dbraw/zinc/83/78/54/781837854.db2.gz ZMUPLPKHFIOEOD-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001189246805 781838118 /nfs/dbraw/zinc/83/81/18/781838118.db2.gz UEUWORYAERZDQM-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160873 781838604 /nfs/dbraw/zinc/83/86/04/781838604.db2.gz DBRIRVPIFBJCNF-QWRGUYRKSA-N 1 1 308.400 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160873 781838613 /nfs/dbraw/zinc/83/86/13/781838613.db2.gz DBRIRVPIFBJCNF-QWRGUYRKSA-N 1 1 308.400 -1.429 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001189250497 781838677 /nfs/dbraw/zinc/83/86/77/781838677.db2.gz GYGZTFVAWQVDEX-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001189250497 781838683 /nfs/dbraw/zinc/83/86/83/781838683.db2.gz GYGZTFVAWQVDEX-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)C(N)=O ZINC001189323929 781838749 /nfs/dbraw/zinc/83/87/49/781838749.db2.gz ANRYJAIGYJLRIZ-SDDRHHMPSA-N 1 1 312.370 -2.109 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344855 781838806 /nfs/dbraw/zinc/83/88/06/781838806.db2.gz HGJAFHPUWNMYNP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344855 781838810 /nfs/dbraw/zinc/83/88/10/781838810.db2.gz HGJAFHPUWNMYNP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)n[nH]2)[C@H]2NCN[C@@H]21 ZINC001189335097 781839112 /nfs/dbraw/zinc/83/91/12/781839112.db2.gz QFRBOOHWSHUVKC-JHJVBQTASA-N 1 1 314.353 -1.396 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189410228 781840718 /nfs/dbraw/zinc/84/07/18/781840718.db2.gz OZSSAAMPMMQJHK-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc(=O)n(C)c1=O ZINC001189441819 781841854 /nfs/dbraw/zinc/84/18/54/781841854.db2.gz FURLICJTAGMMOI-LPEHRKFASA-N 1 1 309.330 -3.783 20 0 DAADMO Cn1c(=O)cc(C(=O)NCC[NH+]2CC3(COC3)C2)n(C)c1=O ZINC001189440274 781842296 /nfs/dbraw/zinc/84/22/96/781842296.db2.gz YYUZOQWJBMVXOT-UHFFFAOYSA-N 1 1 308.338 -1.854 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189488724 781844166 /nfs/dbraw/zinc/84/41/66/781844166.db2.gz BTWKNDVAGSXUJT-NEPJUHHUSA-N 1 1 309.370 -1.348 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189488735 781844199 /nfs/dbraw/zinc/84/41/99/781844199.db2.gz BTWKNDVAGSXUJT-NWDGAFQWSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189515755 781844631 /nfs/dbraw/zinc/84/46/31/781844631.db2.gz BPYUBEJJUDOBSE-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489454 781844769 /nfs/dbraw/zinc/84/47/69/781844769.db2.gz JDJYZSVIZGMWKG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489454 781844780 /nfs/dbraw/zinc/84/47/80/781844780.db2.gz JDJYZSVIZGMWKG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001273583922 781846720 /nfs/dbraw/zinc/84/67/20/781846720.db2.gz FTRSYKDUMNXXAA-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695770 781846928 /nfs/dbraw/zinc/84/69/28/781846928.db2.gz PXNDDQMLQOPOJO-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733540 781848629 /nfs/dbraw/zinc/84/86/29/781848629.db2.gz BNKWXGLKXUAFPK-NXEZZACHSA-N 1 1 310.358 -1.349 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189706452 781848707 /nfs/dbraw/zinc/84/87/07/781848707.db2.gz NEVWBAXPTZGJRM-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189706450 781848900 /nfs/dbraw/zinc/84/89/00/781848900.db2.gz NEVWBAXPTZGJRM-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736726 781848968 /nfs/dbraw/zinc/84/89/68/781848968.db2.gz XAQTWIVEYAQWLD-NSHDSACASA-N 1 1 313.358 -1.475 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769325 781849531 /nfs/dbraw/zinc/84/95/31/781849531.db2.gz IHVPOMKKFZXBDT-NSHDSACASA-N 1 1 324.385 -1.005 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769325 781849541 /nfs/dbraw/zinc/84/95/41/781849541.db2.gz IHVPOMKKFZXBDT-NSHDSACASA-N 1 1 324.385 -1.005 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1N ZINC001189752559 781849937 /nfs/dbraw/zinc/84/99/37/781849937.db2.gz SIMXSXNMWVXTRV-MRVPVSSYSA-N 1 1 323.357 -1.657 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1N ZINC001189752559 781849944 /nfs/dbraw/zinc/84/99/44/781849944.db2.gz SIMXSXNMWVXTRV-MRVPVSSYSA-N 1 1 323.357 -1.657 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189735970 781850179 /nfs/dbraw/zinc/85/01/79/781850179.db2.gz RLHPWVXTHMLZIT-WDEREUQCSA-N 1 1 324.385 -1.007 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736155 781850439 /nfs/dbraw/zinc/85/04/39/781850439.db2.gz UBYAAVXCYWATRD-WDEREUQCSA-N 1 1 313.358 -1.476 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189705678 781850761 /nfs/dbraw/zinc/85/07/61/781850761.db2.gz JUQPVWGMOZJEPY-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189705678 781850770 /nfs/dbraw/zinc/85/07/70/781850770.db2.gz JUQPVWGMOZJEPY-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189778875 781852543 /nfs/dbraw/zinc/85/25/43/781852543.db2.gz NQEMFDAUHNMIIP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189778875 781852551 /nfs/dbraw/zinc/85/25/51/781852551.db2.gz NQEMFDAUHNMIIP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189875186 781854548 /nfs/dbraw/zinc/85/45/48/781854548.db2.gz WEQOCVACBWWJCS-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189875186 781854560 /nfs/dbraw/zinc/85/45/60/781854560.db2.gz WEQOCVACBWWJCS-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001189846564 781855289 /nfs/dbraw/zinc/85/52/89/781855289.db2.gz FHOOVSPICMJRFN-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001189846564 781855293 /nfs/dbraw/zinc/85/52/93/781855293.db2.gz FHOOVSPICMJRFN-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110419551 781855633 /nfs/dbraw/zinc/85/56/33/781855633.db2.gz QSOXUNMJWKHTCC-LPWJVIDDSA-N 1 1 321.381 -1.159 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cccn3)nc2)[C@H]2NCN[C@H]21 ZINC001189975622 781856066 /nfs/dbraw/zinc/85/60/66/781856066.db2.gz FQKSLAAPJKFZPN-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189932802 781856117 /nfs/dbraw/zinc/85/61/17/781856117.db2.gz HJTNJVYGUGFMML-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189932802 781856125 /nfs/dbraw/zinc/85/61/25/781856125.db2.gz HJTNJVYGUGFMML-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189932796 781856139 /nfs/dbraw/zinc/85/61/39/781856139.db2.gz HJTNJVYGUGFMML-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189932796 781856152 /nfs/dbraw/zinc/85/61/52/781856152.db2.gz HJTNJVYGUGFMML-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189932800 781857691 /nfs/dbraw/zinc/85/76/91/781857691.db2.gz HJTNJVYGUGFMML-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189932800 781857699 /nfs/dbraw/zinc/85/76/99/781857699.db2.gz HJTNJVYGUGFMML-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001189956390 781857717 /nfs/dbraw/zinc/85/77/17/781857717.db2.gz OMDNVEKOVGPHEO-CMPLNLGQSA-N 1 1 314.386 -1.008 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001189956390 781857727 /nfs/dbraw/zinc/85/77/27/781857727.db2.gz OMDNVEKOVGPHEO-CMPLNLGQSA-N 1 1 314.386 -1.008 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)o1 ZINC001189963069 781858357 /nfs/dbraw/zinc/85/83/57/781858357.db2.gz JMLASVQOTKSSJB-VIFPVBQESA-N 1 1 324.341 -1.352 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)o1 ZINC001189963069 781858361 /nfs/dbraw/zinc/85/83/61/781858361.db2.gz JMLASVQOTKSSJB-VIFPVBQESA-N 1 1 324.341 -1.352 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001189983364 781858625 /nfs/dbraw/zinc/85/86/25/781858625.db2.gz JWBIYMIGGGHHLT-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001189992006 781858655 /nfs/dbraw/zinc/85/86/55/781858655.db2.gz CURYQHIEIUIFHC-GRYCIOLGSA-N 1 1 319.427 -1.209 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001190067755 781859425 /nfs/dbraw/zinc/85/94/25/781859425.db2.gz SWXXAACTZIYVNZ-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001190067755 781859431 /nfs/dbraw/zinc/85/94/31/781859431.db2.gz SWXXAACTZIYVNZ-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001189983366 781859445 /nfs/dbraw/zinc/85/94/45/781859445.db2.gz JWBIYMIGGGHHLT-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189984354 781859478 /nfs/dbraw/zinc/85/94/78/781859478.db2.gz SPWXHKMMSTWMFT-IUCAKERBSA-N 1 1 323.357 -1.455 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001190099735 781860093 /nfs/dbraw/zinc/86/00/93/781860093.db2.gz BEUNCNHYIBGFHN-QJPTWQEYSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001189962031 781860273 /nfs/dbraw/zinc/86/02/73/781860273.db2.gz DSVUYXRDMKQTJU-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001189962031 781860279 /nfs/dbraw/zinc/86/02/79/781860279.db2.gz DSVUYXRDMKQTJU-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190058785 781860360 /nfs/dbraw/zinc/86/03/60/781860360.db2.gz LDCCXJFDSLHKQK-RWMBFGLXSA-N 1 1 309.370 -1.182 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189984760 781860449 /nfs/dbraw/zinc/86/04/49/781860449.db2.gz WKGWJKFBTFTZME-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189984760 781860454 /nfs/dbraw/zinc/86/04/54/781860454.db2.gz WKGWJKFBTFTZME-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190136384 781861462 /nfs/dbraw/zinc/86/14/62/781861462.db2.gz IUFCLHGXEDMZCC-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190136384 781861471 /nfs/dbraw/zinc/86/14/71/781861471.db2.gz IUFCLHGXEDMZCC-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187808 781862444 /nfs/dbraw/zinc/86/24/44/781862444.db2.gz VTAVWAJZTVEFSN-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190136897 781862759 /nfs/dbraw/zinc/86/27/59/781862759.db2.gz LJPYYTLROXHHML-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001190137213 781862780 /nfs/dbraw/zinc/86/27/80/781862780.db2.gz NLNVHFQUFLTORZ-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148734 781862854 /nfs/dbraw/zinc/86/28/54/781862854.db2.gz JJWDAMZZLULNEP-QJPTWQEYSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001190105771 781863061 /nfs/dbraw/zinc/86/30/61/781863061.db2.gz PWBTXIFGXOQTRE-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001190105771 781863070 /nfs/dbraw/zinc/86/30/70/781863070.db2.gz PWBTXIFGXOQTRE-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(Cl)n1 ZINC001190102718 781863118 /nfs/dbraw/zinc/86/31/18/781863118.db2.gz IBASHHVDNDXORC-DVVUODLYSA-N 1 1 312.761 -1.124 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196191 781863382 /nfs/dbraw/zinc/86/33/82/781863382.db2.gz VOGBVGWWCYNAHZ-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196191 781863396 /nfs/dbraw/zinc/86/33/96/781863396.db2.gz VOGBVGWWCYNAHZ-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196025 781863459 /nfs/dbraw/zinc/86/34/59/781863459.db2.gz QOLWDLPTSSNURR-VIFPVBQESA-N 1 1 324.345 -2.339 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196025 781863470 /nfs/dbraw/zinc/86/34/70/781863470.db2.gz QOLWDLPTSSNURR-VIFPVBQESA-N 1 1 324.345 -2.339 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196024 781863576 /nfs/dbraw/zinc/86/35/76/781863576.db2.gz QOLWDLPTSSNURR-SECBINFHSA-N 1 1 324.345 -2.339 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196024 781863590 /nfs/dbraw/zinc/86/35/90/781863590.db2.gz QOLWDLPTSSNURR-SECBINFHSA-N 1 1 324.345 -2.339 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001190196216 781863642 /nfs/dbraw/zinc/86/36/42/781863642.db2.gz VUSUSJHUNJYYCI-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001190196216 781863650 /nfs/dbraw/zinc/86/36/50/781863650.db2.gz VUSUSJHUNJYYCI-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001190482392 781864975 /nfs/dbraw/zinc/86/49/75/781864975.db2.gz BBAVJWCTHQYOQJ-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001190482392 781864987 /nfs/dbraw/zinc/86/49/87/781864987.db2.gz BBAVJWCTHQYOQJ-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338095 781865051 /nfs/dbraw/zinc/86/50/51/781865051.db2.gz YJHQOZXGPDRNDG-NWDGAFQWSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338095 781865061 /nfs/dbraw/zinc/86/50/61/781865061.db2.gz YJHQOZXGPDRNDG-NWDGAFQWSA-N 1 1 320.411 -1.429 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190288625 781865189 /nfs/dbraw/zinc/86/51/89/781865189.db2.gz AOUPHLLISRUNLT-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190288625 781865199 /nfs/dbraw/zinc/86/51/99/781865199.db2.gz AOUPHLLISRUNLT-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001190278555 781866108 /nfs/dbraw/zinc/86/61/08/781866108.db2.gz JMOPORZNULFUFH-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190328782 781866156 /nfs/dbraw/zinc/86/61/56/781866156.db2.gz KOUSRXCJDHJESP-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190328782 781866157 /nfs/dbraw/zinc/86/61/57/781866157.db2.gz KOUSRXCJDHJESP-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338096 781866391 /nfs/dbraw/zinc/86/63/91/781866391.db2.gz YJHQOZXGPDRNDG-RYUDHWBXSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338096 781866401 /nfs/dbraw/zinc/86/64/01/781866401.db2.gz YJHQOZXGPDRNDG-RYUDHWBXSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338091 781866449 /nfs/dbraw/zinc/86/64/49/781866449.db2.gz YJHQOZXGPDRNDG-NEPJUHHUSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338091 781866457 /nfs/dbraw/zinc/86/64/57/781866457.db2.gz YJHQOZXGPDRNDG-NEPJUHHUSA-N 1 1 320.411 -1.429 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190462962 781867119 /nfs/dbraw/zinc/86/71/19/781867119.db2.gz PDWLGDKYUJFXTF-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190462960 781867295 /nfs/dbraw/zinc/86/72/95/781867295.db2.gz PDWLGDKYUJFXTF-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190473031 781867705 /nfs/dbraw/zinc/86/77/05/781867705.db2.gz SAUVZDJGPAVGEX-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001190485289 781867785 /nfs/dbraw/zinc/86/77/85/781867785.db2.gz YCFBSYWYHBZNMG-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001190485289 781867799 /nfs/dbraw/zinc/86/77/99/781867799.db2.gz YCFBSYWYHBZNMG-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463781 781868077 /nfs/dbraw/zinc/86/80/77/781868077.db2.gz TUIMQSHAZKAQKM-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462921 781868284 /nfs/dbraw/zinc/86/82/84/781868284.db2.gz ODQXEWFYBXMHKY-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462920 781868408 /nfs/dbraw/zinc/86/84/08/781868408.db2.gz ODQXEWFYBXMHKY-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190483670 781868721 /nfs/dbraw/zinc/86/87/21/781868721.db2.gz RIKVZKAFHUGDCU-QWRGUYRKSA-N 1 1 314.386 -1.502 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001190512000 781869607 /nfs/dbraw/zinc/86/96/07/781869607.db2.gz YXRKYFQSSHJUCO-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190511917 781869676 /nfs/dbraw/zinc/86/96/76/781869676.db2.gz YCQPOFONCXTWOR-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001190509738 781870159 /nfs/dbraw/zinc/87/01/59/781870159.db2.gz NKYWXHUBDZKYDI-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1O ZINC001190580922 781870897 /nfs/dbraw/zinc/87/08/97/781870897.db2.gz PCIPUZFMEINHDF-MRVWCRGKSA-N 1 1 302.371 -1.276 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573687 781871208 /nfs/dbraw/zinc/87/12/08/781871208.db2.gz TZMNJNKBTIWBLS-OPRDCNLKSA-N 1 1 312.313 -1.563 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573687 781871216 /nfs/dbraw/zinc/87/12/16/781871216.db2.gz TZMNJNKBTIWBLS-OPRDCNLKSA-N 1 1 312.313 -1.563 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573895 781871606 /nfs/dbraw/zinc/87/16/06/781871606.db2.gz XSBOGVZAFYSNDT-NXEZZACHSA-N 1 1 309.313 -1.435 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001190573895 781871613 /nfs/dbraw/zinc/87/16/13/781871613.db2.gz XSBOGVZAFYSNDT-NXEZZACHSA-N 1 1 309.313 -1.435 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190601465 781872328 /nfs/dbraw/zinc/87/23/28/781872328.db2.gz KIARVNKRNMYPBU-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190601465 781872333 /nfs/dbraw/zinc/87/23/33/781872333.db2.gz KIARVNKRNMYPBU-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001190639218 781874768 /nfs/dbraw/zinc/87/47/68/781874768.db2.gz PNEBRAQYVSLTFG-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001190639218 781874778 /nfs/dbraw/zinc/87/47/78/781874778.db2.gz PNEBRAQYVSLTFG-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001190645589 781874994 /nfs/dbraw/zinc/87/49/94/781874994.db2.gz QMQPWUNCAQFHQV-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001190650921 781875104 /nfs/dbraw/zinc/87/51/04/781875104.db2.gz DAKPXWYFRSOQSV-QJPTWQEYSA-N 1 1 322.377 -1.080 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001190650921 781875113 /nfs/dbraw/zinc/87/51/13/781875113.db2.gz DAKPXWYFRSOQSV-QJPTWQEYSA-N 1 1 322.377 -1.080 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001190717856 781877663 /nfs/dbraw/zinc/87/76/63/781877663.db2.gz OXMSVXCGVQIMDR-VXGBXAGGSA-N 1 1 312.395 -1.017 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001190717856 781877669 /nfs/dbraw/zinc/87/76/69/781877669.db2.gz OXMSVXCGVQIMDR-VXGBXAGGSA-N 1 1 312.395 -1.017 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190734728 781878091 /nfs/dbraw/zinc/87/80/91/781878091.db2.gz RLJAUIWKWCBQEC-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190734728 781878100 /nfs/dbraw/zinc/87/81/00/781878100.db2.gz RLJAUIWKWCBQEC-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001190734891 781878465 /nfs/dbraw/zinc/87/84/65/781878465.db2.gz RGHLRCRQMCAHAN-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001190685560 781879405 /nfs/dbraw/zinc/87/94/05/781879405.db2.gz VJIJEGWGXBAWJY-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001190685560 781879407 /nfs/dbraw/zinc/87/94/07/781879407.db2.gz VJIJEGWGXBAWJY-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001190693304 781879471 /nfs/dbraw/zinc/87/94/71/781879471.db2.gz UNEIJOWXTHGHEK-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001190693304 781879477 /nfs/dbraw/zinc/87/94/77/781879477.db2.gz UNEIJOWXTHGHEK-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190734739 781879862 /nfs/dbraw/zinc/87/98/62/781879862.db2.gz RLJAUIWKWCBQEC-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190734739 781879866 /nfs/dbraw/zinc/87/98/66/781879866.db2.gz RLJAUIWKWCBQEC-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001190775055 781881412 /nfs/dbraw/zinc/88/14/12/781881412.db2.gz CLNAEUIFPGPYKW-MRVPVSSYSA-N 1 1 313.358 -1.775 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001190775055 781881420 /nfs/dbraw/zinc/88/14/20/781881420.db2.gz CLNAEUIFPGPYKW-MRVPVSSYSA-N 1 1 313.358 -1.775 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1=COCCO1 ZINC001190786573 781881581 /nfs/dbraw/zinc/88/15/81/781881581.db2.gz STHVAURSLDEOMG-GHMZBOCLSA-N 1 1 302.327 -1.955 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1=COCCO1 ZINC001190786573 781881583 /nfs/dbraw/zinc/88/15/83/781881583.db2.gz STHVAURSLDEOMG-GHMZBOCLSA-N 1 1 302.327 -1.955 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001190858786 781882579 /nfs/dbraw/zinc/88/25/79/781882579.db2.gz DZBJANCSSJAJEE-QJPTWQEYSA-N 1 1 309.370 -1.037 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001190894639 781884268 /nfs/dbraw/zinc/88/42/68/781884268.db2.gz IMPIRFVUWPCYJU-NXEZZACHSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001190894639 781884276 /nfs/dbraw/zinc/88/42/76/781884276.db2.gz IMPIRFVUWPCYJU-NXEZZACHSA-N 1 1 313.358 -2.562 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001190895124 781884403 /nfs/dbraw/zinc/88/44/03/781884403.db2.gz QOSMNALIOFZBJF-YUSALJHKSA-N 1 1 303.359 -2.319 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001190895124 781884415 /nfs/dbraw/zinc/88/44/15/781884415.db2.gz QOSMNALIOFZBJF-YUSALJHKSA-N 1 1 303.359 -2.319 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190889385 781885034 /nfs/dbraw/zinc/88/50/34/781885034.db2.gz JCRPHJJXJNESCH-NSHDSACASA-N 1 1 309.370 -1.045 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190889385 781885040 /nfs/dbraw/zinc/88/50/40/781885040.db2.gz JCRPHJJXJNESCH-NSHDSACASA-N 1 1 309.370 -1.045 20 0 DAADMO CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885659 /nfs/dbraw/zinc/88/56/59/781885659.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190890050 781885668 /nfs/dbraw/zinc/88/56/68/781885668.db2.gz NTHJLJVJLAFMSB-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904495 781886409 /nfs/dbraw/zinc/88/64/09/781886409.db2.gz IKTNUSWYGQAXQE-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904495 781886412 /nfs/dbraw/zinc/88/64/12/781886412.db2.gz IKTNUSWYGQAXQE-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958086 781887469 /nfs/dbraw/zinc/88/74/69/781887469.db2.gz VPWDXFXDZUUFEV-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958086 781887477 /nfs/dbraw/zinc/88/74/77/781887477.db2.gz VPWDXFXDZUUFEV-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001190905387 781887595 /nfs/dbraw/zinc/88/75/95/781887595.db2.gz UQMVJJQDIUHORY-RKDXNWHRSA-N 1 1 320.300 -1.884 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001190905387 781887604 /nfs/dbraw/zinc/88/76/04/781887604.db2.gz UQMVJJQDIUHORY-RKDXNWHRSA-N 1 1 320.300 -1.884 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190904393 781887711 /nfs/dbraw/zinc/88/77/11/781887711.db2.gz GEKBTLQLJUTNTQ-QJPTWQEYSA-N 1 1 322.427 -1.465 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190904393 781887717 /nfs/dbraw/zinc/88/77/17/781887717.db2.gz GEKBTLQLJUTNTQ-QJPTWQEYSA-N 1 1 322.427 -1.465 20 0 DAADMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)C1CCC1 ZINC001190977460 781888994 /nfs/dbraw/zinc/88/89/94/781888994.db2.gz HKOSXLDFFCMHOL-UTUOFQBUSA-N 1 1 314.386 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001190970000 781889139 /nfs/dbraw/zinc/88/91/39/781889139.db2.gz USDMKIFSAXOATC-HTQZYQBOSA-N 1 1 310.301 -1.902 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001190970000 781889148 /nfs/dbraw/zinc/88/91/48/781889148.db2.gz USDMKIFSAXOATC-HTQZYQBOSA-N 1 1 310.301 -1.902 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977643 781889264 /nfs/dbraw/zinc/88/92/64/781889264.db2.gz LRKBJOPXVXZHIF-GHMZBOCLSA-N 1 1 302.375 -1.511 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190972418 781889658 /nfs/dbraw/zinc/88/96/58/781889658.db2.gz AIPIQDHKBXMBBG-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190970085 781890012 /nfs/dbraw/zinc/89/00/12/781890012.db2.gz WGJADWZKGFGVBL-KXUCPTDWSA-N 1 1 313.358 -2.563 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190970085 781890023 /nfs/dbraw/zinc/89/00/23/781890023.db2.gz WGJADWZKGFGVBL-KXUCPTDWSA-N 1 1 313.358 -2.563 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001190973866 781890093 /nfs/dbraw/zinc/89/00/93/781890093.db2.gz SELGCCZDXRFKEM-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190973866 781890098 /nfs/dbraw/zinc/89/00/98/781890098.db2.gz SELGCCZDXRFKEM-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001190978003 781890491 /nfs/dbraw/zinc/89/04/91/781890491.db2.gz QLDASPMAQLDNDL-HLTSFMKQSA-N 1 1 322.312 -1.760 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001190978003 781890499 /nfs/dbraw/zinc/89/04/99/781890499.db2.gz QLDASPMAQLDNDL-HLTSFMKQSA-N 1 1 322.312 -1.760 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC001190989257 781891517 /nfs/dbraw/zinc/89/15/17/781891517.db2.gz NIAWZJBLIUHRAN-NSHDSACASA-N 1 1 302.350 -1.259 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC001190989257 781891513 /nfs/dbraw/zinc/89/15/13/781891513.db2.gz NIAWZJBLIUHRAN-NSHDSACASA-N 1 1 302.350 -1.259 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001190978005 781891535 /nfs/dbraw/zinc/89/15/35/781891535.db2.gz QLDASPMAQLDNDL-IWSPIJDZSA-N 1 1 322.312 -1.760 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001190978005 781891539 /nfs/dbraw/zinc/89/15/39/781891539.db2.gz QLDASPMAQLDNDL-IWSPIJDZSA-N 1 1 322.312 -1.760 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001191027818 781895346 /nfs/dbraw/zinc/89/53/46/781895346.db2.gz PXGLWTMEABCBSM-JHJVBQTASA-N 1 1 302.371 -1.086 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001191027818 781895351 /nfs/dbraw/zinc/89/53/51/781895351.db2.gz PXGLWTMEABCBSM-JHJVBQTASA-N 1 1 302.371 -1.086 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191038730 781895578 /nfs/dbraw/zinc/89/55/78/781895578.db2.gz BLMUABRZIBZEKY-LLVKDONJSA-N 1 1 324.385 -1.797 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191038730 781895582 /nfs/dbraw/zinc/89/55/82/781895582.db2.gz BLMUABRZIBZEKY-LLVKDONJSA-N 1 1 324.385 -1.797 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001191042130 781895993 /nfs/dbraw/zinc/89/59/93/781895993.db2.gz OCUORPNWFVORHR-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191127676 781896720 /nfs/dbraw/zinc/89/67/20/781896720.db2.gz NSFDZECOYMSDJT-GMTAPVOTSA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191127676 781896727 /nfs/dbraw/zinc/89/67/27/781896727.db2.gz NSFDZECOYMSDJT-GMTAPVOTSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191121197 781897463 /nfs/dbraw/zinc/89/74/63/781897463.db2.gz ZESIYMXSAATWHN-YUMQZZPRSA-N 1 1 309.330 -1.466 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191121298 781897894 /nfs/dbraw/zinc/89/78/94/781897894.db2.gz PEMAEBKYOPWKRO-VXGBXAGGSA-N 1 1 313.358 -2.162 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090625 781898506 /nfs/dbraw/zinc/89/85/06/781898506.db2.gz DYPLJNATYNCJDR-HTQZYQBOSA-N 1 1 306.313 -1.226 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090625 781898514 /nfs/dbraw/zinc/89/85/14/781898514.db2.gz DYPLJNATYNCJDR-HTQZYQBOSA-N 1 1 306.313 -1.226 20 0 DAADMO C[N@H+]([C@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@H]1CCNC1=O ZINC001191092368 781898527 /nfs/dbraw/zinc/89/85/27/781898527.db2.gz WNAWTQSGAVMHOG-IUCAKERBSA-N 1 1 318.324 -1.211 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@H]1CCNC1=O ZINC001191092368 781898533 /nfs/dbraw/zinc/89/85/33/781898533.db2.gz WNAWTQSGAVMHOG-IUCAKERBSA-N 1 1 318.324 -1.211 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1COCCO1 ZINC001191167114 781898708 /nfs/dbraw/zinc/89/87/08/781898708.db2.gz ALNUUIHKSNFVSZ-IJLUTSLNSA-N 1 1 304.343 -2.428 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1COCCO1 ZINC001191167114 781898715 /nfs/dbraw/zinc/89/87/15/781898715.db2.gz ALNUUIHKSNFVSZ-IJLUTSLNSA-N 1 1 304.343 -2.428 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090927 781899146 /nfs/dbraw/zinc/89/91/46/781899146.db2.gz GNSCYBJNBJSADU-SECBINFHSA-N 1 1 320.340 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090927 781899154 /nfs/dbraw/zinc/89/91/54/781899154.db2.gz GNSCYBJNBJSADU-SECBINFHSA-N 1 1 320.340 -1.011 20 0 DAADMO CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191090748 781899776 /nfs/dbraw/zinc/89/97/76/781899776.db2.gz XEYRVJQJCAMUKE-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191090748 781899778 /nfs/dbraw/zinc/89/97/78/781899778.db2.gz XEYRVJQJCAMUKE-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001191167748 781899925 /nfs/dbraw/zinc/89/99/25/781899925.db2.gz FIJKPFRDJPRYIJ-JHJVBQTASA-N 1 1 302.371 -1.012 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191195451 781900795 /nfs/dbraw/zinc/90/07/95/781900795.db2.gz UBLWDCQYJWCEID-VXGBXAGGSA-N 1 1 310.358 -2.082 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191195451 781900800 /nfs/dbraw/zinc/90/08/00/781900800.db2.gz UBLWDCQYJWCEID-VXGBXAGGSA-N 1 1 310.358 -2.082 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001191208872 781901137 /nfs/dbraw/zinc/90/11/37/781901137.db2.gz YEWLBZSBGMZTPT-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001191208872 781901140 /nfs/dbraw/zinc/90/11/40/781901140.db2.gz YEWLBZSBGMZTPT-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC(C)C)C1 ZINC001191218480 781902676 /nfs/dbraw/zinc/90/26/76/781902676.db2.gz WSMZPEFXMCVVGJ-JHJVBQTASA-N 1 1 304.387 -1.030 20 0 DAADMO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191216588 781902852 /nfs/dbraw/zinc/90/28/52/781902852.db2.gz CDNNNCSBFINBNT-JHJVBQTASA-N 1 1 302.371 -1.274 20 0 DAADMO COC(=O)c1cncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001191226540 781904941 /nfs/dbraw/zinc/90/49/41/781904941.db2.gz AQVGTRHQJDHRMY-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)no2)[C@@H]2NCN[C@@H]21 ZINC001191344775 781907175 /nfs/dbraw/zinc/90/71/75/781907175.db2.gz OVQIFQSXKWYSAZ-PRJMDXOYSA-N 1 1 317.147 -1.430 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001191391720 781908347 /nfs/dbraw/zinc/90/83/47/781908347.db2.gz CMTYKEBOPXFDEM-QJPTWQEYSA-N 1 1 315.370 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001191392044 781909102 /nfs/dbraw/zinc/90/91/02/781909102.db2.gz FTDYMJLPAUTFCV-VXGBXAGGSA-N 1 1 315.370 -1.070 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001191424717 781909600 /nfs/dbraw/zinc/90/96/00/781909600.db2.gz QMYADZMLYIULRX-CYZMBNFOSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001191424717 781909602 /nfs/dbraw/zinc/90/96/02/781909602.db2.gz QMYADZMLYIULRX-CYZMBNFOSA-N 1 1 317.386 -1.665 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001191361858 781909647 /nfs/dbraw/zinc/90/96/47/781909647.db2.gz GKAXCXVLDSHQQE-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001191361858 781909655 /nfs/dbraw/zinc/90/96/55/781909655.db2.gz GKAXCXVLDSHQQE-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001191424718 781910642 /nfs/dbraw/zinc/91/06/42/781910642.db2.gz QMYADZMLYIULRX-RAIGVLPGSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001191424718 781910650 /nfs/dbraw/zinc/91/06/50/781910650.db2.gz QMYADZMLYIULRX-RAIGVLPGSA-N 1 1 317.386 -1.665 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@H](O)CN2CCOCC2)C1=O ZINC001191474544 781912084 /nfs/dbraw/zinc/91/20/84/781912084.db2.gz IYAFGJMZTCQPAN-RYUDHWBXSA-N 1 1 314.386 -1.448 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001191587348 781914406 /nfs/dbraw/zinc/91/44/06/781914406.db2.gz VOJWKYQUSRQVEA-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001191587348 781914411 /nfs/dbraw/zinc/91/44/11/781914411.db2.gz VOJWKYQUSRQVEA-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)c1=O ZINC001191507422 781914500 /nfs/dbraw/zinc/91/45/00/781914500.db2.gz LDQWJJVVGJDHQI-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001191551363 781914620 /nfs/dbraw/zinc/91/46/20/781914620.db2.gz KPCQMCHGYFKCJX-DTWKUNHWSA-N 1 1 321.403 -2.553 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543119 781915496 /nfs/dbraw/zinc/91/54/96/781915496.db2.gz KDTHSJVMUVXKLL-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543119 781915500 /nfs/dbraw/zinc/91/55/00/781915500.db2.gz KDTHSJVMUVXKLL-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC001191676052 781915866 /nfs/dbraw/zinc/91/58/66/781915866.db2.gz DYMQVKBFJVIUHM-IQJOONFLSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC001191676052 781915873 /nfs/dbraw/zinc/91/58/73/781915873.db2.gz DYMQVKBFJVIUHM-IQJOONFLSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001191607663 781916274 /nfs/dbraw/zinc/91/62/74/781916274.db2.gz IRCJHDDWXPMXDD-YNEHKIRRSA-N 1 1 312.370 -1.869 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191637685 781916466 /nfs/dbraw/zinc/91/64/66/781916466.db2.gz PRSUBZRYYOBBBM-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001191561767 781916622 /nfs/dbraw/zinc/91/66/22/781916622.db2.gz TZUXWIGKHBZSHF-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191631231 781917132 /nfs/dbraw/zinc/91/71/32/781917132.db2.gz SKPWQSDWYGYYDQ-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCOC1 ZINC001191638186 781917259 /nfs/dbraw/zinc/91/72/59/781917259.db2.gz XJKDAEIBGBZODH-JHJVBQTASA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCOC1 ZINC001191638186 781917267 /nfs/dbraw/zinc/91/72/67/781917267.db2.gz XJKDAEIBGBZODH-JHJVBQTASA-N 1 1 302.371 -1.417 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001191561765 781917485 /nfs/dbraw/zinc/91/74/85/781917485.db2.gz TZUXWIGKHBZSHF-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719406 781918180 /nfs/dbraw/zinc/91/81/80/781918180.db2.gz LSBBDHQBHTVHBQ-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719406 781918184 /nfs/dbraw/zinc/91/81/84/781918184.db2.gz LSBBDHQBHTVHBQ-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376870801 921739333 /nfs/dbraw/zinc/73/93/33/921739333.db2.gz UPIOFMRCXFOQCT-JTQLQIEISA-N 1 1 320.357 -1.306 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001376884307 921742219 /nfs/dbraw/zinc/74/22/19/921742219.db2.gz OPBZZEJQZVDYAS-NSHDSACASA-N 1 1 309.374 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NCc2nnnn2C)C1 ZINC001376892599 921742261 /nfs/dbraw/zinc/74/22/61/921742261.db2.gz UDXOMQPYKXMHKY-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NCc2nnnn2C)C1 ZINC001376892599 921742270 /nfs/dbraw/zinc/74/22/70/921742270.db2.gz UDXOMQPYKXMHKY-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001376903140 921746378 /nfs/dbraw/zinc/74/63/78/921746378.db2.gz OENUDOBMMIKDCI-JTQLQIEISA-N 1 1 311.342 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001376936545 921749466 /nfs/dbraw/zinc/74/94/66/921749466.db2.gz AIAUAMGRNYTYFD-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001376939413 921750463 /nfs/dbraw/zinc/75/04/63/921750463.db2.gz QUZAWAIPUOPBCE-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nncn1C ZINC001376941841 921751579 /nfs/dbraw/zinc/75/15/79/921751579.db2.gz WHROOOJEXKPDDZ-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001376979622 921754118 /nfs/dbraw/zinc/75/41/18/921754118.db2.gz IETMHCLPSVWNGY-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001376979622 921754124 /nfs/dbraw/zinc/75/41/24/921754124.db2.gz IETMHCLPSVWNGY-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001376990870 921754365 /nfs/dbraw/zinc/75/43/65/921754365.db2.gz ZSBQHVJBETYBNY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)CCn1cnnn1 ZINC001376991487 921754563 /nfs/dbraw/zinc/75/45/63/921754563.db2.gz BDFZJZSCSMLEKK-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376990872 921754692 /nfs/dbraw/zinc/75/46/92/921754692.db2.gz ZSBQHVJBETYBNY-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001376993273 921754809 /nfs/dbraw/zinc/75/48/09/921754809.db2.gz CRBRMGHAHIPULW-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001376980154 921755007 /nfs/dbraw/zinc/75/50/07/921755007.db2.gz RTVASJMZCNANFJ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001377010848 921757994 /nfs/dbraw/zinc/75/79/94/921757994.db2.gz XEJVYYVJADQUOF-SNVBAGLBSA-N 1 1 324.385 -1.188 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(C)=O ZINC001377109025 921765367 /nfs/dbraw/zinc/76/53/67/921765367.db2.gz JPAXRFOSXVCKLL-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001377109025 921765379 /nfs/dbraw/zinc/76/53/79/921765379.db2.gz JPAXRFOSXVCKLL-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377116898 921767394 /nfs/dbraw/zinc/76/73/94/921767394.db2.gz IEPPRCRTDYJCFQ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377116898 921767404 /nfs/dbraw/zinc/76/74/04/921767404.db2.gz IEPPRCRTDYJCFQ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1COCCO1)S(C)(=O)=O ZINC001377124969 921769182 /nfs/dbraw/zinc/76/91/82/921769182.db2.gz BANYYGAQULSQLR-LLVKDONJSA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1COCCO1)S(C)(=O)=O ZINC001377124969 921769196 /nfs/dbraw/zinc/76/91/96/921769196.db2.gz BANYYGAQULSQLR-LLVKDONJSA-N 1 1 323.415 -1.659 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377129688 921770416 /nfs/dbraw/zinc/77/04/16/921770416.db2.gz NSJOYLTWFJRCMT-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001377129688 921770423 /nfs/dbraw/zinc/77/04/23/921770423.db2.gz NSJOYLTWFJRCMT-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001377145793 921772787 /nfs/dbraw/zinc/77/27/87/921772787.db2.gz QWYYWDPDJIKQKX-VHSXEESVSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001377145793 921772799 /nfs/dbraw/zinc/77/27/99/921772799.db2.gz QWYYWDPDJIKQKX-VHSXEESVSA-N 1 1 302.375 -1.105 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377148699 921774111 /nfs/dbraw/zinc/77/41/11/921774111.db2.gz IUMOVLPBQADBTC-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377148699 921774116 /nfs/dbraw/zinc/77/41/16/921774116.db2.gz IUMOVLPBQADBTC-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC2CC2)nn1 ZINC001377145837 921774388 /nfs/dbraw/zinc/77/43/88/921774388.db2.gz RETCMGCBFLZXOQ-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC2CC2)nn1 ZINC001377145837 921774400 /nfs/dbraw/zinc/77/44/00/921774400.db2.gz RETCMGCBFLZXOQ-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2c1CCC2)CC(=O)NC(N)=O ZINC001377167874 921775924 /nfs/dbraw/zinc/77/59/24/921775924.db2.gz HXXKXLPTKCTETB-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2c1CCC2)CC(=O)NC(N)=O ZINC001377167874 921775932 /nfs/dbraw/zinc/77/59/32/921775932.db2.gz HXXKXLPTKCTETB-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO CCn1ccc(CC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)n1 ZINC001377164354 921776236 /nfs/dbraw/zinc/77/62/36/921776236.db2.gz YOCXAPMLMARHPJ-UHFFFAOYSA-N 1 1 324.385 -1.051 20 0 DAADMO CCn1ccc(CC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)n1 ZINC001377164354 921776249 /nfs/dbraw/zinc/77/62/49/921776249.db2.gz YOCXAPMLMARHPJ-UHFFFAOYSA-N 1 1 324.385 -1.051 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001377170381 921777155 /nfs/dbraw/zinc/77/71/55/921777155.db2.gz IWSGCWLSCSPIDD-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cncn1C)S(C)(=O)=O ZINC001377190373 921779457 /nfs/dbraw/zinc/77/94/57/921779457.db2.gz QIHQHTHKPBCRGK-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cncn1C)S(C)(=O)=O ZINC001377190373 921779465 /nfs/dbraw/zinc/77/94/65/921779465.db2.gz QIHQHTHKPBCRGK-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccn1 ZINC001377178092 921779511 /nfs/dbraw/zinc/77/95/11/921779511.db2.gz DCAXEMAWNSOQCS-UHFFFAOYSA-N 1 1 321.381 -1.118 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccn1 ZINC001377178092 921779515 /nfs/dbraw/zinc/77/95/15/921779515.db2.gz DCAXEMAWNSOQCS-UHFFFAOYSA-N 1 1 321.381 -1.118 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001377183953 921779607 /nfs/dbraw/zinc/77/96/07/921779607.db2.gz QPORWBGYZXAMLZ-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001377178066 921781014 /nfs/dbraw/zinc/78/10/14/921781014.db2.gz CQVBNWIBXCLHCV-QMMMGPOBSA-N 1 1 301.347 -2.840 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001377178066 921781017 /nfs/dbraw/zinc/78/10/17/921781017.db2.gz CQVBNWIBXCLHCV-QMMMGPOBSA-N 1 1 301.347 -2.840 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001377212611 921782781 /nfs/dbraw/zinc/78/27/81/921782781.db2.gz QIHCDBOPYRDBAQ-ZJUUUORDSA-N 1 1 318.399 -1.850 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)c1nnn(C)n1 ZINC001377231778 921786412 /nfs/dbraw/zinc/78/64/12/921786412.db2.gz DQVVKFIDROKSSX-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001377212611 921782791 /nfs/dbraw/zinc/78/27/91/921782791.db2.gz QIHCDBOPYRDBAQ-ZJUUUORDSA-N 1 1 318.399 -1.850 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377211164 921783348 /nfs/dbraw/zinc/78/33/48/921783348.db2.gz MAIXEHTZQMKUTQ-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377211164 921783365 /nfs/dbraw/zinc/78/33/65/921783365.db2.gz MAIXEHTZQMKUTQ-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)OCC[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001377204305 921783413 /nfs/dbraw/zinc/78/34/13/921783413.db2.gz AEZLQGLRPQWFOS-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377211167 921784828 /nfs/dbraw/zinc/78/48/28/921784828.db2.gz MAIXEHTZQMKUTQ-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377211167 921784843 /nfs/dbraw/zinc/78/48/43/921784843.db2.gz MAIXEHTZQMKUTQ-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)C(N)=O ZINC001377229152 921786478 /nfs/dbraw/zinc/78/64/78/921786478.db2.gz NXGWZLIKKMTCSG-VHSXEESVSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)C(N)=O ZINC001377229152 921786488 /nfs/dbraw/zinc/78/64/88/921786488.db2.gz NXGWZLIKKMTCSG-VHSXEESVSA-N 1 1 313.358 -2.697 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001377215003 921785456 /nfs/dbraw/zinc/78/54/56/921785456.db2.gz AEENMIKDBPMJKR-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001377215003 921785467 /nfs/dbraw/zinc/78/54/67/921785467.db2.gz AEENMIKDBPMJKR-VIFPVBQESA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)c1nnn(C)n1 ZINC001377232014 921787917 /nfs/dbraw/zinc/78/79/17/921787917.db2.gz GPDPGLRPWYXNMX-OPRDCNLKSA-N 1 1 309.374 -1.215 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)C[C@@H](C)O ZINC001377227260 921788202 /nfs/dbraw/zinc/78/82/02/921788202.db2.gz ONYNOVZMZNVOOM-MNOVXSKESA-N 1 1 309.432 -1.011 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001377220946 921788546 /nfs/dbraw/zinc/78/85/46/921788546.db2.gz DYBZUYINOGRPCA-GARJFASQSA-N 1 1 303.359 -1.925 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001377260989 921793896 /nfs/dbraw/zinc/79/38/96/921793896.db2.gz RTURVFUTCLMBQO-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)[C@@H](C)C(=O)NC)C1 ZINC001377266867 921793997 /nfs/dbraw/zinc/79/39/97/921793997.db2.gz OTPRQYXGICPYPA-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)[C@@H](C)C(=O)NC)C1 ZINC001377266867 921794006 /nfs/dbraw/zinc/79/40/06/921794006.db2.gz OTPRQYXGICPYPA-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001377268287 921794698 /nfs/dbraw/zinc/79/46/98/921794698.db2.gz VVWWOZRYAQPORM-JTQLQIEISA-N 1 1 310.354 -1.151 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377264512 921796056 /nfs/dbraw/zinc/79/60/56/921796056.db2.gz BMGBKRGEUHHUQW-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC(=O)NC ZINC001377291329 921798209 /nfs/dbraw/zinc/79/82/09/921798209.db2.gz FTXNSSUGIJAQEA-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC(=O)NC ZINC001377291329 921798216 /nfs/dbraw/zinc/79/82/16/921798216.db2.gz FTXNSSUGIJAQEA-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)CS(=O)(=O)NC)C1=O ZINC001377267645 921796997 /nfs/dbraw/zinc/79/69/97/921796997.db2.gz TXSVDALNRMOULZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)CS(=O)(=O)NC)C1=O ZINC001377267645 921797014 /nfs/dbraw/zinc/79/70/14/921797014.db2.gz TXSVDALNRMOULZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)CCN1CCNC1=O ZINC001377282184 921797628 /nfs/dbraw/zinc/79/76/28/921797628.db2.gz CVJPRLZQRSHPNS-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)CCN1CCNC1=O ZINC001377282180 921798447 /nfs/dbraw/zinc/79/84/47/921798447.db2.gz CVJPRLZQRSHPNS-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CCNC(=O)CO[C@H]1CCOC1)CC(=O)NC(N)=O ZINC001377311091 921800883 /nfs/dbraw/zinc/80/08/83/921800883.db2.gz WVTWHZFEOXWTNW-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO CC[N@@H+](CCNC(=O)CO[C@H]1CCOC1)CC(=O)NC(N)=O ZINC001377311091 921800894 /nfs/dbraw/zinc/80/08/94/921800894.db2.gz WVTWHZFEOXWTNW-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCN1CCNC1=O ZINC001377292686 921801795 /nfs/dbraw/zinc/80/17/95/921801795.db2.gz SBXBCVSOKKDQIK-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)NC)[C@@H]1CCNC1=O ZINC001377332954 921802193 /nfs/dbraw/zinc/80/21/93/921802193.db2.gz VZOONVTZROCQEN-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)n1cncn1)CC(=O)NC(N)=O ZINC001377298684 921803367 /nfs/dbraw/zinc/80/33/67/921803367.db2.gz GSXISYRHMIEHMM-SECBINFHSA-N 1 1 311.346 -1.528 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)n1cncn1)CC(=O)NC(N)=O ZINC001377298684 921803376 /nfs/dbraw/zinc/80/33/76/921803376.db2.gz GSXISYRHMIEHMM-SECBINFHSA-N 1 1 311.346 -1.528 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CCNS(C)(=O)=O ZINC001377339227 921805658 /nfs/dbraw/zinc/80/56/58/921805658.db2.gz FLZAURHSTPUEST-UHFFFAOYSA-N 1 1 319.391 -2.189 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CCNS(C)(=O)=O ZINC001377339227 921805669 /nfs/dbraw/zinc/80/56/69/921805669.db2.gz FLZAURHSTPUEST-UHFFFAOYSA-N 1 1 319.391 -2.189 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)N1CCC1 ZINC001377345684 921805728 /nfs/dbraw/zinc/80/57/28/921805728.db2.gz ZFVPNLLDZSUCOE-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)N1CCC1 ZINC001377345684 921805738 /nfs/dbraw/zinc/80/57/38/921805738.db2.gz ZFVPNLLDZSUCOE-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CCn1cccn1 ZINC001377348209 921805937 /nfs/dbraw/zinc/80/59/37/921805937.db2.gz LLKNTRZEZQBMIJ-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@H](C)C(=O)NC(N)=O ZINC001377359855 921809749 /nfs/dbraw/zinc/80/97/49/921809749.db2.gz ICRFJWFYVGDGIQ-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@H](C)C(=O)NC(N)=O ZINC001377359855 921809761 /nfs/dbraw/zinc/80/97/61/921809761.db2.gz ICRFJWFYVGDGIQ-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001377334108 921806483 /nfs/dbraw/zinc/80/64/83/921806483.db2.gz CBOUPMPNCVJDDI-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1nccc1C)CC(=O)NC(N)=O ZINC001377342958 921806805 /nfs/dbraw/zinc/80/68/05/921806805.db2.gz WUQBCQDSZUFSIM-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nccc1C)CC(=O)NC(N)=O ZINC001377342958 921806814 /nfs/dbraw/zinc/80/68/14/921806814.db2.gz WUQBCQDSZUFSIM-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCNC1=O ZINC001377364946 921808619 /nfs/dbraw/zinc/80/86/19/921808619.db2.gz FTKSAWZCLITTSJ-SNVBAGLBSA-N 1 1 323.357 -2.296 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001377372579 921808713 /nfs/dbraw/zinc/80/87/13/921808713.db2.gz HYIIEGAPAXYXDC-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001377372579 921808720 /nfs/dbraw/zinc/80/87/20/921808720.db2.gz HYIIEGAPAXYXDC-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]([NH2+]CC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1)C(N)=O ZINC001377340390 921804577 /nfs/dbraw/zinc/80/45/77/921804577.db2.gz OIRKQAFHHLNNHN-JTQLQIEISA-N 1 1 309.370 -1.231 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001377335375 921804990 /nfs/dbraw/zinc/80/49/90/921804990.db2.gz AFWTWMNYLDDIDW-WDEREUQCSA-N 1 1 321.385 -1.115 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)nn1 ZINC000971527530 916086578 /nfs/dbraw/zinc/08/65/78/916086578.db2.gz CWGXXGGDAZQVMT-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)nn1 ZINC000971527530 916086597 /nfs/dbraw/zinc/08/65/97/916086597.db2.gz CWGXXGGDAZQVMT-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000971489676 916087887 /nfs/dbraw/zinc/08/78/87/916087887.db2.gz OSGIZDORNZXVDC-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974379188 916090942 /nfs/dbraw/zinc/09/09/42/916090942.db2.gz HPKKOWWXJQXNFS-OUAUKWLOSA-N 1 1 312.370 -1.656 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974379188 916090964 /nfs/dbraw/zinc/09/09/64/916090964.db2.gz HPKKOWWXJQXNFS-OUAUKWLOSA-N 1 1 312.370 -1.656 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974393519 916091772 /nfs/dbraw/zinc/09/17/72/916091772.db2.gz YUGPAWHELFDJQM-NNYUYHANSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974393522 916092063 /nfs/dbraw/zinc/09/20/63/916092063.db2.gz YUGPAWHELFDJQM-YFKTTZPYSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)n1 ZINC000987188189 916092486 /nfs/dbraw/zinc/09/24/86/916092486.db2.gz YHBQHGGDOITORB-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1COC(=O)N1 ZINC001022034410 916095935 /nfs/dbraw/zinc/09/59/35/916095935.db2.gz SIKPDAXAKNGFSY-XKSSXDPKSA-N 1 1 321.341 -1.147 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCN2C)C1)c1nnnn1C ZINC001021991482 916097273 /nfs/dbraw/zinc/09/72/73/916097273.db2.gz RAWDMRDUGKDGHE-WISYIIOYSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)Cn3ncnn3)CC2)n1 ZINC001026493860 916097782 /nfs/dbraw/zinc/09/77/82/916097782.db2.gz QYJJONTYRFFPJK-UHFFFAOYSA-N 1 1 320.361 -1.586 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001026487433 916098437 /nfs/dbraw/zinc/09/84/37/916098437.db2.gz MHVDHOKRNONSHI-RTBKNWGFSA-N 1 1 323.357 -1.165 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1Cc1nnn(C)n1 ZINC001088505389 916106144 /nfs/dbraw/zinc/10/61/44/916106144.db2.gz HHVBRXKHPXESBU-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1Cc1nnn(C)n1 ZINC001088505389 916106161 /nfs/dbraw/zinc/10/61/61/916106161.db2.gz HHVBRXKHPXESBU-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@@H]3O)cnc21 ZINC001083649856 916106206 /nfs/dbraw/zinc/10/62/06/916106206.db2.gz UDXRIINOOLCICN-NEPJUHHUSA-N 1 1 320.353 -1.479 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1Cc1nnnn1C ZINC001088505783 916106523 /nfs/dbraw/zinc/10/65/23/916106523.db2.gz UVXWJNAKQQKBOQ-WOPDTQHZSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1Cc1nnnn1C ZINC001088505783 916106531 /nfs/dbraw/zinc/10/65/31/916106531.db2.gz UVXWJNAKQQKBOQ-WOPDTQHZSA-N 1 1 323.401 -1.380 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090530077 916107607 /nfs/dbraw/zinc/10/76/07/916107607.db2.gz AJGSPTLWOVMOIZ-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090530077 916107625 /nfs/dbraw/zinc/10/76/25/916107625.db2.gz AJGSPTLWOVMOIZ-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090530074 916108438 /nfs/dbraw/zinc/10/84/38/916108438.db2.gz AJGSPTLWOVMOIZ-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090530074 916108443 /nfs/dbraw/zinc/10/84/43/916108443.db2.gz AJGSPTLWOVMOIZ-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001098554990 916113527 /nfs/dbraw/zinc/11/35/27/916113527.db2.gz BOYFSZGBHIMCJH-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO COC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105174371 916116710 /nfs/dbraw/zinc/11/67/10/916116710.db2.gz YJWUEAHFPFMZQB-UHFFFAOYSA-N 1 1 312.330 -1.901 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)Cn3cnnn3)C2)nn1 ZINC001105153332 916118705 /nfs/dbraw/zinc/11/87/05/916118705.db2.gz RYRQLCVGBQDWQR-UHFFFAOYSA-N 1 1 321.345 -1.916 20 0 DAADMO CCC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105192552 916121845 /nfs/dbraw/zinc/12/18/45/916121845.db2.gz UJWSOEBFPLOBKE-UHFFFAOYSA-N 1 1 310.358 -1.731 20 0 DAADMO CCCC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105182053 916122475 /nfs/dbraw/zinc/12/24/75/916122475.db2.gz VISPPKGQFSDZSI-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105190596 916122726 /nfs/dbraw/zinc/12/27/26/916122726.db2.gz ZPQQLVAJNJGOOR-LLVKDONJSA-N 1 1 308.342 -1.978 20 0 DAADMO Nc1nccnc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105194695 916123492 /nfs/dbraw/zinc/12/34/92/916123492.db2.gz DQLGTJIFPWKDAB-UHFFFAOYSA-N 1 1 318.341 -1.571 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105188345 916123730 /nfs/dbraw/zinc/12/37/30/916123730.db2.gz YNJCCVHOLBSACE-NWDGAFQWSA-N 1 1 323.353 -1.448 20 0 DAADMO O=C(CCc1nnc[nH]1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105207043 916125262 /nfs/dbraw/zinc/12/52/62/916125262.db2.gz AXPXBIYUIVDKBN-UHFFFAOYSA-N 1 1 320.357 -1.506 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105202792 916126625 /nfs/dbraw/zinc/12/66/25/916126625.db2.gz UPFZGPIPHCVGFL-CYBMUJFWSA-N 1 1 324.385 -1.926 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105211494 916126774 /nfs/dbraw/zinc/12/67/74/916126774.db2.gz PRQZHWBWZWRLFH-SNVBAGLBSA-N 1 1 323.353 -1.304 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001114355035 916129750 /nfs/dbraw/zinc/12/97/50/916129750.db2.gz DTLOFRXJLQQWHK-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1=O ZINC001114358476 916129959 /nfs/dbraw/zinc/12/99/59/916129959.db2.gz WXKZEFZYEZGYNJ-CIQGVGRVSA-N 1 1 311.382 -1.480 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1=O ZINC001114357515 916129980 /nfs/dbraw/zinc/12/99/80/916129980.db2.gz DSWNQNYRMHAYBL-XBWDGYHZSA-N 1 1 323.353 -2.294 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1=O ZINC001114357515 916129985 /nfs/dbraw/zinc/12/99/85/916129985.db2.gz DSWNQNYRMHAYBL-XBWDGYHZSA-N 1 1 323.353 -2.294 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988211 916133820 /nfs/dbraw/zinc/13/38/20/916133820.db2.gz ACTHDBRYOCAHOQ-YABSGUDNSA-N 1 1 324.381 -1.939 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCOCC1 ZINC001114988211 916133828 /nfs/dbraw/zinc/13/38/28/916133828.db2.gz ACTHDBRYOCAHOQ-YABSGUDNSA-N 1 1 324.381 -1.939 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2cn(C)nn2)nn1 ZINC001127056596 916139436 /nfs/dbraw/zinc/13/94/36/916139436.db2.gz FAIKSOXXYGVHGH-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO CCc1nc2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cn2n1 ZINC001174675730 916149986 /nfs/dbraw/zinc/14/99/86/916149986.db2.gz NLMZUKUKVBOHMS-FRRDWIJNSA-N 1 1 316.369 -1.576 20 0 DAADMO CCc1nc2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cn2n1 ZINC001174675731 916150109 /nfs/dbraw/zinc/15/01/09/916150109.db2.gz NLMZUKUKVBOHMS-RWMBFGLXSA-N 1 1 316.369 -1.576 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304844 916152715 /nfs/dbraw/zinc/15/27/15/916152715.db2.gz NMIFRJQZVNYJRW-OUAUKWLOSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304844 916152737 /nfs/dbraw/zinc/15/27/37/916152737.db2.gz NMIFRJQZVNYJRW-OUAUKWLOSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247784 916156379 /nfs/dbraw/zinc/15/63/79/916156379.db2.gz SKTODWVDJRUTLN-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247970 916156998 /nfs/dbraw/zinc/15/69/98/916156998.db2.gz VGIUZACTLIZGIJ-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247970 916157010 /nfs/dbraw/zinc/15/70/10/916157010.db2.gz VGIUZACTLIZGIJ-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO COCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248264 916157452 /nfs/dbraw/zinc/15/74/52/916157452.db2.gz ZXVJZMZLILZTMO-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247631 916157547 /nfs/dbraw/zinc/15/75/47/916157547.db2.gz RLWIFUINOHAWKB-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC001195534779 916160536 /nfs/dbraw/zinc/16/05/36/916160536.db2.gz GJXIZWGBDKCGBN-LLVKDONJSA-N 1 1 313.358 -1.475 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001198452105 916164464 /nfs/dbraw/zinc/16/44/64/916164464.db2.gz XYHWHPWUWIGYNL-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001198430103 916164534 /nfs/dbraw/zinc/16/45/34/916164534.db2.gz JZXVHONFBGYCNS-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001198430103 916164541 /nfs/dbraw/zinc/16/45/41/916164541.db2.gz JZXVHONFBGYCNS-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO CCOC(=O)C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OCC ZINC001251034915 916171847 /nfs/dbraw/zinc/17/18/47/916171847.db2.gz CVFZMWDGYQLXBA-LLVKDONJSA-N 1 1 318.370 -1.236 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001266743553 916180983 /nfs/dbraw/zinc/18/09/83/916180983.db2.gz OQKPHVXOZDYZQI-CHWSQXEVSA-N 1 1 323.397 -1.052 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266742495 916181237 /nfs/dbraw/zinc/18/12/37/916181237.db2.gz APYQKSMDVTURST-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@H](C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001266760327 916183541 /nfs/dbraw/zinc/18/35/41/916183541.db2.gz CIXQOGNHVNCKCG-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266760711 916185086 /nfs/dbraw/zinc/18/50/86/916185086.db2.gz LBPWSRGOMHVWFP-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266760711 916185097 /nfs/dbraw/zinc/18/50/97/916185097.db2.gz LBPWSRGOMHVWFP-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)c1[nH]nnc1C ZINC001273540574 916190966 /nfs/dbraw/zinc/19/09/66/916190966.db2.gz SWORTAMSXRQZCB-UHFFFAOYSA-N 1 1 318.403 -1.286 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001316596947 916214216 /nfs/dbraw/zinc/21/42/16/916214216.db2.gz VOQHSOCRVGMRAG-MWLCHTKSSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001316620063 916217088 /nfs/dbraw/zinc/21/70/88/916217088.db2.gz BQLUZBOAFSNZES-DTORHVGOSA-N 1 1 307.358 -1.540 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001316636974 916219381 /nfs/dbraw/zinc/21/93/81/916219381.db2.gz GHXTZJMREHDQFC-MGCOHNPYSA-N 1 1 309.374 -1.057 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316766059 916222068 /nfs/dbraw/zinc/22/20/68/916222068.db2.gz GPXPBQNHVZYMKT-LBPRGKRZSA-N 1 1 300.403 -1.170 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001316829529 916226348 /nfs/dbraw/zinc/22/63/48/916226348.db2.gz UDNCQIQGYINTND-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001316799909 916229498 /nfs/dbraw/zinc/22/94/98/916229498.db2.gz MYBMSGXBWJMJRH-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCCO ZINC001316798392 916230296 /nfs/dbraw/zinc/23/02/96/916230296.db2.gz GUWJLGAPWUAQFC-VWYCJHECSA-N 1 1 312.370 -1.064 20 0 DAADMO C[N@@H+](CCCNC(=O)CCCC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001316868763 916231055 /nfs/dbraw/zinc/23/10/55/916231055.db2.gz LKGJRRWPGHNUKR-JTQLQIEISA-N 1 1 312.370 -1.115 20 0 DAADMO CC[N@@H+](CCCNC(=O)CC(N)=O)CC(=O)N1CCOCC1 ZINC001316890225 916232588 /nfs/dbraw/zinc/23/25/88/916232588.db2.gz YZZSKVJGIZYAPF-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001316847651 916232701 /nfs/dbraw/zinc/23/27/01/916232701.db2.gz CWMPWMWRPJRMGK-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+](C)[C@H]2CCN(C)C2=O)c1=O ZINC001316836870 916234537 /nfs/dbraw/zinc/23/45/37/916234537.db2.gz VAXRXAMURQUGNP-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CC[N@@H+](CCO)CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001316891676 916234820 /nfs/dbraw/zinc/23/48/20/916234820.db2.gz OASFCJOUGIKJKZ-UHFFFAOYSA-N 1 1 312.370 -1.633 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N1)CCN1C(=O)CCC1=O ZINC001316863117 916235191 /nfs/dbraw/zinc/23/51/91/916235191.db2.gz QGLCUPSKMBWMJJ-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC(N)=O ZINC001316859994 916235481 /nfs/dbraw/zinc/23/54/81/916235481.db2.gz SOBZPMJDLGOFNC-JTQLQIEISA-N 1 1 301.391 -1.007 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cncn1)CCN1CCNC1=O ZINC001316865278 916235605 /nfs/dbraw/zinc/23/56/05/916235605.db2.gz VXINIEAPFGAFRP-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN1CCCS1(=O)=O)CC(N)=O ZINC001316890906 916236486 /nfs/dbraw/zinc/23/64/86/916236486.db2.gz CFKWWYPSEXTXRE-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO C[N@@H+](CCCNC(=O)C(N)=O)CC(=O)NCc1cccnc1 ZINC001316845061 916236632 /nfs/dbraw/zinc/23/66/32/916236632.db2.gz BLQUQKRAUSDGOA-UHFFFAOYSA-N 1 1 307.354 -1.379 20 0 DAADMO Cc1c(C(=O)NCCC[NH+]2CCN(CCO)CC2)nnn1C ZINC001316957779 916237057 /nfs/dbraw/zinc/23/70/57/916237057.db2.gz QCPAMXVQXGDRNY-UHFFFAOYSA-N 1 1 310.402 -1.147 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1cnon1)CC(=O)NC(=O)NC ZINC001316903187 916237802 /nfs/dbraw/zinc/23/78/02/916237802.db2.gz QICVVOVTCQCVCK-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO CC[N@H+](CCCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001316899794 916239231 /nfs/dbraw/zinc/23/92/31/916239231.db2.gz QEBVZLYVBBZBBJ-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001316899794 916239249 /nfs/dbraw/zinc/23/92/49/916239249.db2.gz QEBVZLYVBBZBBJ-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO NC(=O)C[N@@H+](CCCNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001316926954 916239447 /nfs/dbraw/zinc/23/94/47/916239447.db2.gz PBQDVTGQYHBCJK-UHFFFAOYSA-N 1 1 311.342 -2.006 20 0 DAADMO CC[N@H+](CCCNC(=O)[C@@H]1CCNC1=O)CCS(C)(=O)=O ZINC001316897763 916239991 /nfs/dbraw/zinc/23/99/91/916239991.db2.gz PREKCNYIARCNSG-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CCNC1=O)CCS(C)(=O)=O ZINC001316897763 916240010 /nfs/dbraw/zinc/24/00/10/916240010.db2.gz PREKCNYIARCNSG-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1cc(C(=O)NCCC[N@@H+](CC(N)=O)C2CC2)n(C)c1=O ZINC001316928042 916240725 /nfs/dbraw/zinc/24/07/25/916240725.db2.gz XHHXWCZSRZOCLC-UHFFFAOYSA-N 1 1 309.370 -1.207 20 0 DAADMO C[C@@H](O)C[N@@H+](CCCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001316923687 916242105 /nfs/dbraw/zinc/24/21/05/916242105.db2.gz VJVOTMDUHYCRPS-LLVKDONJSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001316943680 916242364 /nfs/dbraw/zinc/24/23/64/916242364.db2.gz HYMQJLJCBSUWFC-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001316959256 916243172 /nfs/dbraw/zinc/24/31/72/916243172.db2.gz FZXKMQYEMZFWPY-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H](O)CN1CC[NH+](CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001316959257 916245113 /nfs/dbraw/zinc/24/51/13/916245113.db2.gz FZXKMQYEMZFWPY-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO Nc1nccnc1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001316958208 916245974 /nfs/dbraw/zinc/24/59/74/916245974.db2.gz YAMBMWVYPBNUMW-UHFFFAOYSA-N 1 1 308.386 -1.211 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001316959394 916246533 /nfs/dbraw/zinc/24/65/33/916246533.db2.gz JDGGJHUZTLAPCS-UHFFFAOYSA-N 1 1 309.374 -1.664 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1)NC(N)=O ZINC001316978315 916250499 /nfs/dbraw/zinc/25/04/99/916250499.db2.gz VFMFQXJKOQBNJD-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001316980550 916250632 /nfs/dbraw/zinc/25/06/32/916250632.db2.gz ODAWUAKBGRZNQU-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001316980550 916250652 /nfs/dbraw/zinc/25/06/52/916250652.db2.gz ODAWUAKBGRZNQU-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001316994676 916253933 /nfs/dbraw/zinc/25/39/33/916253933.db2.gz YSISTTHKVLHIEC-QWRGUYRKSA-N 1 1 313.354 -1.667 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317024538 916257965 /nfs/dbraw/zinc/25/79/65/916257965.db2.gz FMUUFZVUCMBJRV-MNOVXSKESA-N 1 1 306.370 -1.064 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001317043157 916258729 /nfs/dbraw/zinc/25/87/29/916258729.db2.gz IFZARTPIERYYGQ-GHMZBOCLSA-N 1 1 324.381 -1.305 20 0 DAADMO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1)c1nccs1 ZINC001317065580 916262402 /nfs/dbraw/zinc/26/24/02/916262402.db2.gz QJUJAAGNIGFYDL-QMMMGPOBSA-N 1 1 311.367 -1.218 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001317067664 916262740 /nfs/dbraw/zinc/26/27/40/916262740.db2.gz XCRXOYHLOVEXDP-VIFPVBQESA-N 1 1 316.387 -1.913 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001317093649 916265401 /nfs/dbraw/zinc/26/54/01/916265401.db2.gz YLNXVENBPYEMIM-NRPADANISA-N 1 1 322.325 -1.205 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317106892 916266845 /nfs/dbraw/zinc/26/68/45/916266845.db2.gz GHPBCWSRQDIKDD-AEJSXWLSSA-N 1 1 320.353 -1.221 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001317135947 916268828 /nfs/dbraw/zinc/26/88/28/916268828.db2.gz VDBTVDBVLHCEKZ-VXGBXAGGSA-N 1 1 309.370 -1.443 20 0 DAADMO COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001317123092 916271005 /nfs/dbraw/zinc/27/10/05/916271005.db2.gz ZJYCJBSOUWFTSN-AOOOYVTPSA-N 1 1 310.358 -1.192 20 0 DAADMO COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001317123092 916271025 /nfs/dbraw/zinc/27/10/25/916271025.db2.gz ZJYCJBSOUWFTSN-AOOOYVTPSA-N 1 1 310.358 -1.192 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317135818 916271408 /nfs/dbraw/zinc/27/14/08/916271408.db2.gz RUGDMSNJXVDYTJ-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001317206507 916272276 /nfs/dbraw/zinc/27/22/76/916272276.db2.gz DNTBSRMBRABSGU-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001317176218 916274030 /nfs/dbraw/zinc/27/40/30/916274030.db2.gz ABBDVBLOJJWLAM-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC001317176218 916274041 /nfs/dbraw/zinc/27/40/41/916274041.db2.gz ABBDVBLOJJWLAM-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCCC[N@H+]1CCN1CCNC1=O ZINC001317169743 916274286 /nfs/dbraw/zinc/27/42/86/916274286.db2.gz MMSVFAAULZDDTO-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCN1C(=O)CNC1=O ZINC001317271636 916280198 /nfs/dbraw/zinc/28/01/98/916280198.db2.gz PUIRLPFROWBWQF-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001317271636 916280216 /nfs/dbraw/zinc/28/02/16/916280216.db2.gz PUIRLPFROWBWQF-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001317285671 916281465 /nfs/dbraw/zinc/28/14/65/916281465.db2.gz YYKRMJHKPHZNAL-RKDXNWHRSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278536 916281628 /nfs/dbraw/zinc/28/16/28/916281628.db2.gz YHNLQXUXQZXVOA-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+]Cc1ncccn1 ZINC001317285694 916283628 /nfs/dbraw/zinc/28/36/28/916283628.db2.gz ZHFXKYGGDXBHSZ-JTQLQIEISA-N 1 1 320.353 -1.035 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448384 916295535 /nfs/dbraw/zinc/29/55/35/916295535.db2.gz LKGVCRGRKKRXMA-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448384 916295551 /nfs/dbraw/zinc/29/55/51/916295551.db2.gz LKGVCRGRKKRXMA-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccn2nnnc12)CCOCCO ZINC001317446321 916295904 /nfs/dbraw/zinc/29/59/04/916295904.db2.gz CCOTVYNITOGICS-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCNC(=O)CC(N)=O ZINC001317441377 916297078 /nfs/dbraw/zinc/29/70/78/916297078.db2.gz LSFXHCXIAQXQOV-ZETCQYMHSA-N 1 1 312.292 -1.023 20 0 DAADMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)CC(N)=O ZINC001317441377 916297094 /nfs/dbraw/zinc/29/70/94/916297094.db2.gz LSFXHCXIAQXQOV-ZETCQYMHSA-N 1 1 312.292 -1.023 20 0 DAADMO C[N@@H+](CCNC(=O)CC(N)=O)CCN1C(=O)NC(C)(C)C1=O ZINC001317441423 916297414 /nfs/dbraw/zinc/29/74/14/916297414.db2.gz MPSJPYXTYRFBPR-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459079 916299385 /nfs/dbraw/zinc/29/93/85/916299385.db2.gz NKMZDPWWAIOBGG-WDEREUQCSA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459079 916299404 /nfs/dbraw/zinc/29/94/04/916299404.db2.gz NKMZDPWWAIOBGG-WDEREUQCSA-N 1 1 319.427 -1.149 20 0 DAADMO CCOCC[N@@H+](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001317466642 916299446 /nfs/dbraw/zinc/29/94/46/916299446.db2.gz CCAGNWIYDRAFSL-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317457503 916302751 /nfs/dbraw/zinc/30/27/51/916302751.db2.gz UWPBBBJNRYFQHJ-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317457503 916302771 /nfs/dbraw/zinc/30/27/71/916302771.db2.gz UWPBBBJNRYFQHJ-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001317469244 916304040 /nfs/dbraw/zinc/30/40/40/916304040.db2.gz AQMHPCUIDPHNIQ-SECBINFHSA-N 1 1 302.331 -2.407 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CCN1C(=O)CCC1=O ZINC001317468375 916304459 /nfs/dbraw/zinc/30/44/59/916304459.db2.gz ZARVMXGFEFLSBW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@@H+](CCNC(=O)CCN1C(=O)CCC1=O)CCn1cncn1 ZINC001317451728 916304920 /nfs/dbraw/zinc/30/49/20/916304920.db2.gz ZWDOPJBIBCNSKC-UHFFFAOYSA-N 1 1 322.369 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001317490447 916305777 /nfs/dbraw/zinc/30/57/77/916305777.db2.gz VOYANGLSFCLDNG-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001317487654 916306095 /nfs/dbraw/zinc/30/60/95/916306095.db2.gz BBLHDGHARTZRJE-SNVBAGLBSA-N 1 1 312.370 -1.259 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)OC)[C@@H]1CCC(=O)NC1=O ZINC001317477071 916306144 /nfs/dbraw/zinc/30/61/44/916306144.db2.gz KZSJQEZZRNFWBK-SECBINFHSA-N 1 1 314.342 -1.414 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCC(=O)NC1=O ZINC001317479344 916306863 /nfs/dbraw/zinc/30/68/63/916306863.db2.gz KVHNFPIKUSWCTI-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)CC1CCS(=O)(=O)CC1 ZINC001317483168 916307616 /nfs/dbraw/zinc/30/76/16/916307616.db2.gz ALTMCNXHCYZLDE-UHFFFAOYSA-N 1 1 305.400 -1.265 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1C)[C@@H]1CCC(=O)NC1=O ZINC001317485235 916307854 /nfs/dbraw/zinc/30/78/54/916307854.db2.gz XODNTIMPFQNCRM-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCC(=O)NC1=O ZINC001317479345 916308577 /nfs/dbraw/zinc/30/85/77/916308577.db2.gz KVHNFPIKUSWCTI-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCOCCO)C1)[C@H]1COC(=O)N1 ZINC001317517824 916311345 /nfs/dbraw/zinc/31/13/45/916311345.db2.gz DXRRQVZOMXVBCM-GHMZBOCLSA-N 1 1 301.343 -1.458 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCOCCO ZINC001317495589 916314239 /nfs/dbraw/zinc/31/42/39/916314239.db2.gz JQFKVPNZIRHAFF-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCOCCO)C1)C1CS(=O)(=O)C1 ZINC001317519911 916317532 /nfs/dbraw/zinc/31/75/32/916317532.db2.gz HTRSDZXXQRZMPO-NSHDSACASA-N 1 1 320.411 -1.522 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCOCCO)C1)C1CS(=O)(=O)C1 ZINC001317519911 916317551 /nfs/dbraw/zinc/31/75/51/916317551.db2.gz HTRSDZXXQRZMPO-NSHDSACASA-N 1 1 320.411 -1.522 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCC(=O)NC2=O)n1 ZINC001317557813 916319058 /nfs/dbraw/zinc/31/90/58/916319058.db2.gz MQAKVTMRHQXBLA-LLVKDONJSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCC(=O)NC2=O)n1 ZINC001317557813 916319080 /nfs/dbraw/zinc/31/90/80/916319080.db2.gz MQAKVTMRHQXBLA-LLVKDONJSA-N 1 1 320.353 -1.186 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317530164 916320692 /nfs/dbraw/zinc/32/06/92/916320692.db2.gz FDHVCINUMDZPOW-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@H](C(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550866 916321709 /nfs/dbraw/zinc/32/17/09/916321709.db2.gz CJGSIKKOKIJRGU-NXEZZACHSA-N 1 1 324.381 -1.022 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550866 916321730 /nfs/dbraw/zinc/32/17/30/916321730.db2.gz CJGSIKKOKIJRGU-NXEZZACHSA-N 1 1 324.381 -1.022 20 0 DAADMO CCC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)C[C@H](C)O ZINC001317541419 916322641 /nfs/dbraw/zinc/32/26/41/916322641.db2.gz WRLPHRFECJZHJM-UWVGGRQHSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001317538206 916323037 /nfs/dbraw/zinc/32/30/37/916323037.db2.gz GQFLFZNTWUKBRV-MNOVXSKESA-N 1 1 324.381 -1.387 20 0 DAADMO CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)CCc1nc[nH]n1 ZINC001317580984 916326217 /nfs/dbraw/zinc/32/62/17/916326217.db2.gz ZNNHDLBUCOVVRO-UHFFFAOYSA-N 1 1 323.357 -1.663 20 0 DAADMO CCN1C[C@H](C(=O)N(C)CC[NH2+]Cc2nnnn2C)CC1=O ZINC001317591664 916329628 /nfs/dbraw/zinc/32/96/28/916329628.db2.gz RFSDNHPJBZPDHD-SNVBAGLBSA-N 1 1 309.374 -1.374 20 0 DAADMO Cc1conc1C[NH2+]CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001317616704 916335391 /nfs/dbraw/zinc/33/53/91/916335391.db2.gz IACAAXIJYIJVST-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)CN1CCCCC1=O ZINC001317605684 916336530 /nfs/dbraw/zinc/33/65/30/916336530.db2.gz RYAMBUBDIXDBLC-UHFFFAOYSA-N 1 1 309.374 -1.229 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001317637543 916337983 /nfs/dbraw/zinc/33/79/83/916337983.db2.gz ZSLSWQZVQZJQBH-VIFPVBQESA-N 1 1 309.330 -2.039 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)CCn1cnnn1 ZINC001317644619 916339745 /nfs/dbraw/zinc/33/97/45/916339745.db2.gz VOFRZPGUJJDJNB-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ncnn1C ZINC001317624726 916340007 /nfs/dbraw/zinc/34/00/07/916340007.db2.gz DVIKTVOFYGUEES-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[NH2+]Cc2nncn2C)c(=O)n1C ZINC001317654596 916345117 /nfs/dbraw/zinc/34/51/17/916345117.db2.gz PPKHZIIQNCOXKB-UHFFFAOYSA-N 1 1 322.373 -1.733 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)Cn1ncn(C)c1=O)CC(N)=O ZINC001317693273 916347126 /nfs/dbraw/zinc/34/71/26/916347126.db2.gz ITZKWZNGUZSAHB-UHFFFAOYSA-N 1 1 312.374 -1.716 20 0 DAADMO CN(C)c1noc(C[N@@H+]2CC[C@@H](CCNC(=O)C(N)=O)C2)n1 ZINC001317797158 916348218 /nfs/dbraw/zinc/34/82/18/916348218.db2.gz KQXZZZYOMHDRSD-SECBINFHSA-N 1 1 310.358 -1.051 20 0 DAADMO CN(C)c1noc(C[N@H+]2CC[C@@H](CCNC(=O)C(N)=O)C2)n1 ZINC001317797158 916348238 /nfs/dbraw/zinc/34/82/38/916348238.db2.gz KQXZZZYOMHDRSD-SECBINFHSA-N 1 1 310.358 -1.051 20 0 DAADMO CC(C)[N@@H+](CCO)CCCNC(=O)CN1CCNC(=O)C1 ZINC001317695728 916348974 /nfs/dbraw/zinc/34/89/74/916348974.db2.gz YPLTXJLWKWHZCK-UHFFFAOYSA-N 1 1 300.403 -1.373 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[NH+](CCO)CC2)c(=O)n(C)c1=O ZINC001317786711 916349139 /nfs/dbraw/zinc/34/91/39/916349139.db2.gz BAFXLSSOPNVMAQ-ARJAWSKDSA-N 1 1 322.365 -1.766 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001317862330 916351598 /nfs/dbraw/zinc/35/15/98/916351598.db2.gz VTUAGGJRONIGLC-QWRGUYRKSA-N 1 1 324.381 -1.211 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001317848305 916352227 /nfs/dbraw/zinc/35/22/27/916352227.db2.gz LTPTZKIRBISQHC-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317853244 916352645 /nfs/dbraw/zinc/35/26/45/916352645.db2.gz JRLRDYABGKBPNO-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001317848298 916353193 /nfs/dbraw/zinc/35/31/93/916353193.db2.gz LTPTZKIRBISQHC-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO NC(=O)C(=O)NCC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001317802381 916353771 /nfs/dbraw/zinc/35/37/71/916353771.db2.gz WATSCCIUCPKUQT-VIFPVBQESA-N 1 1 311.342 -2.148 20 0 DAADMO NC(=O)C(=O)NCC[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001317799652 916354563 /nfs/dbraw/zinc/35/45/63/916354563.db2.gz BIFNWBIUXUZWKL-VIFPVBQESA-N 1 1 309.326 -1.073 20 0 DAADMO NC(=O)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001317799652 916354581 /nfs/dbraw/zinc/35/45/81/916354581.db2.gz BIFNWBIUXUZWKL-VIFPVBQESA-N 1 1 309.326 -1.073 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001317933085 916358174 /nfs/dbraw/zinc/35/81/74/916358174.db2.gz UDBBRWDEGSGBNE-VIFPVBQESA-N 1 1 308.342 -1.483 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318135512 916371373 /nfs/dbraw/zinc/37/13/73/916371373.db2.gz GCDVGWJOWUPVEP-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO COCCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(N)=O)C1 ZINC001318148312 916372250 /nfs/dbraw/zinc/37/22/50/916372250.db2.gz FXKNDDHNLRMNME-VIFPVBQESA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001318290623 916380110 /nfs/dbraw/zinc/38/01/10/916380110.db2.gz DOGLXPNQMZKNJX-QWRGUYRKSA-N 1 1 310.354 -1.502 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318321729 916385132 /nfs/dbraw/zinc/38/51/32/916385132.db2.gz STDUUBUKYNRWER-RKDXNWHRSA-N 1 1 312.326 -1.662 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318321729 916385146 /nfs/dbraw/zinc/38/51/46/916385146.db2.gz STDUUBUKYNRWER-RKDXNWHRSA-N 1 1 312.326 -1.662 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001318300864 916387481 /nfs/dbraw/zinc/38/74/81/916387481.db2.gz DPNKOJJXDILQSB-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001318396965 916388777 /nfs/dbraw/zinc/38/87/77/916388777.db2.gz ZIQXLDXHMZJNSC-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001318396965 916388796 /nfs/dbraw/zinc/38/87/96/916388796.db2.gz ZIQXLDXHMZJNSC-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001318393241 916389210 /nfs/dbraw/zinc/38/92/10/916389210.db2.gz JCCXBVGGYFHZGW-VXGBXAGGSA-N 1 1 309.370 -1.348 20 0 DAADMO CC(=O)NCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001318384550 916391209 /nfs/dbraw/zinc/39/12/09/916391209.db2.gz JXJBXROWILJSDB-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001318393228 916392762 /nfs/dbraw/zinc/39/27/62/916392762.db2.gz JCCXBVGGYFHZGW-NEPJUHHUSA-N 1 1 309.370 -1.348 20 0 DAADMO CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318402291 916396061 /nfs/dbraw/zinc/39/60/61/916396061.db2.gz KWUOHGSTSVPFSF-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(NC1CC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318519386 916401364 /nfs/dbraw/zinc/40/13/64/916401364.db2.gz WSKDMHSALBSXCV-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001318627332 916403661 /nfs/dbraw/zinc/40/36/61/916403661.db2.gz YUUZJUSGJBINER-NSHDSACASA-N 1 1 322.369 -1.093 20 0 DAADMO CC[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001318613848 916404145 /nfs/dbraw/zinc/40/41/45/916404145.db2.gz JHJYZVYYPZKYAN-ZJUUUORDSA-N 1 1 322.369 -1.148 20 0 DAADMO NC(=O)CSCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001318680921 916408730 /nfs/dbraw/zinc/40/87/30/916408730.db2.gz CBHLIIZBJYBSIU-SNVBAGLBSA-N 1 1 316.427 -1.092 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001318983451 916413469 /nfs/dbraw/zinc/41/34/69/916413469.db2.gz IWTXSHIUCRJBPG-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001319077086 916417002 /nfs/dbraw/zinc/41/70/02/916417002.db2.gz FWYKVWAMPFLECK-CYBMUJFWSA-N 1 1 311.342 -1.248 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC001319444834 916436388 /nfs/dbraw/zinc/43/63/88/916436388.db2.gz VBWNKGVFILXONC-SNVBAGLBSA-N 1 1 322.369 -1.222 20 0 DAADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)n1 ZINC001319531813 916442643 /nfs/dbraw/zinc/44/26/43/916442643.db2.gz LFIRYGNSFRFLRR-UHFFFAOYSA-N 1 1 322.369 -1.268 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001319551562 916443698 /nfs/dbraw/zinc/44/36/98/916443698.db2.gz BWJMWBJDZDVTKE-UHFFFAOYSA-N 1 1 304.372 -1.400 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001319627589 916445661 /nfs/dbraw/zinc/44/56/61/916445661.db2.gz VIYZKDYFQIJRSE-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CNc1nc(N2C[C@@H](O)[C@@H](O)C2)nc(N2C[C@@H](O)[C@@H](O)C2)[nH+]1 ZINC001319802765 916449455 /nfs/dbraw/zinc/44/94/55/916449455.db2.gz LDVUIANRCLOZSR-SPJNRGJMSA-N 1 1 312.330 -3.581 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@@H]12 ZINC001319904470 916454708 /nfs/dbraw/zinc/45/47/08/916454708.db2.gz KHYDPTSMPFUTDM-PWSUYJOCSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COC3CCOCC3)C[C@@H]12 ZINC001319904470 916454718 /nfs/dbraw/zinc/45/47/18/916454718.db2.gz KHYDPTSMPFUTDM-PWSUYJOCSA-N 1 1 313.354 -1.221 20 0 DAADMO COCC(=O)N(C)CC[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001319966709 916456814 /nfs/dbraw/zinc/45/68/14/916456814.db2.gz OKCYBRVHYUVEHL-LLVKDONJSA-N 1 1 315.370 -1.467 20 0 DAADMO CCNC(=O)CN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC001320001516 916460413 /nfs/dbraw/zinc/46/04/13/916460413.db2.gz TWUCKBIQMQJVKP-UHFFFAOYSA-N 1 1 315.374 -1.065 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001320008365 916461496 /nfs/dbraw/zinc/46/14/96/916461496.db2.gz HLSBPZSEXLWKCU-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001320008365 916461505 /nfs/dbraw/zinc/46/15/05/916461505.db2.gz HLSBPZSEXLWKCU-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCNC1=O ZINC001320008363 916461780 /nfs/dbraw/zinc/46/17/80/916461780.db2.gz HLSBPZSEXLWKCU-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCNC1=O ZINC001320008363 916461791 /nfs/dbraw/zinc/46/17/91/916461791.db2.gz HLSBPZSEXLWKCU-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCNC1=O ZINC001320009116 916463340 /nfs/dbraw/zinc/46/33/40/916463340.db2.gz FGBFYZFJBDTZEA-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C1(C(N)=O)CC1 ZINC001320043387 916464435 /nfs/dbraw/zinc/46/44/35/916464435.db2.gz VEHPMQHKUOBTIE-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C1(C(N)=O)CC1 ZINC001320043387 916464445 /nfs/dbraw/zinc/46/44/45/916464445.db2.gz VEHPMQHKUOBTIE-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001320016640 916465571 /nfs/dbraw/zinc/46/55/71/916465571.db2.gz RZBYFECOOIBFSN-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001320016640 916465576 /nfs/dbraw/zinc/46/55/76/916465576.db2.gz RZBYFECOOIBFSN-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001320043320 916465775 /nfs/dbraw/zinc/46/57/75/916465775.db2.gz XWGYDAVCQURKHQ-BONVTDFDSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001320043320 916465780 /nfs/dbraw/zinc/46/57/80/916465780.db2.gz XWGYDAVCQURKHQ-BONVTDFDSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001320079995 916466885 /nfs/dbraw/zinc/46/68/85/916466885.db2.gz DCJNOXZVJPGLCS-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001320096266 916467312 /nfs/dbraw/zinc/46/73/12/916467312.db2.gz MZEFKUDWTMDJIE-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001320096266 916467321 /nfs/dbraw/zinc/46/73/21/916467321.db2.gz MZEFKUDWTMDJIE-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCC2CC2)C1 ZINC001320111145 916467870 /nfs/dbraw/zinc/46/78/70/916467870.db2.gz LZSQZIIGUCCQRV-RYUDHWBXSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC2CC2)C1 ZINC001320111143 916468670 /nfs/dbraw/zinc/46/86/70/916468670.db2.gz LZSQZIIGUCCQRV-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320189622 916474146 /nfs/dbraw/zinc/47/41/46/916474146.db2.gz XFTWKPQTSSDHOL-LLVKDONJSA-N 1 1 306.326 -1.671 20 0 DAADMO CC[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CCNC1=O ZINC001320232779 916482764 /nfs/dbraw/zinc/48/27/64/916482764.db2.gz CWQAJFKBLDGUKC-GXFFZTMASA-N 1 1 311.342 -1.447 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)c1ccc2nnnn2c1 ZINC001320244397 916486014 /nfs/dbraw/zinc/48/60/14/916486014.db2.gz HQRQAKZEIXGGGZ-NSHDSACASA-N 1 1 317.309 -1.007 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cnc2nccn2c1 ZINC001320250864 916486414 /nfs/dbraw/zinc/48/64/14/916486414.db2.gz VJOSEOYUBUIZJQ-LLVKDONJSA-N 1 1 317.309 -1.007 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cnn2cccnc12 ZINC001320257933 916486979 /nfs/dbraw/zinc/48/69/79/916486979.db2.gz JRMOBMCLUAPNQW-JTQLQIEISA-N 1 1 317.309 -1.007 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001320265406 916492050 /nfs/dbraw/zinc/49/20/50/916492050.db2.gz VVBWJENYMJFFCJ-RYUDHWBXSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001320271449 916492088 /nfs/dbraw/zinc/49/20/88/916492088.db2.gz BWSDVHAJHXBSSE-ZANVPECISA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC001320281744 916495186 /nfs/dbraw/zinc/49/51/86/916495186.db2.gz JJDYHGCWHUWWOP-QMMMGPOBSA-N 1 1 311.342 -1.153 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001320286346 916498527 /nfs/dbraw/zinc/49/85/27/916498527.db2.gz JSZCWAOBFXXZRQ-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)CC1 ZINC001320287320 916498673 /nfs/dbraw/zinc/49/86/73/916498673.db2.gz XCCNKPDPQCFOLD-VIFPVBQESA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001320293008 916498918 /nfs/dbraw/zinc/49/89/18/916498918.db2.gz OSNFANLRYCZUFW-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)C(=O)NCC1CC1 ZINC001320291856 916499235 /nfs/dbraw/zinc/49/92/35/916499235.db2.gz FRIKHWMZEPQVLJ-VIFPVBQESA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001320303040 916501623 /nfs/dbraw/zinc/50/16/23/916501623.db2.gz KSMNSWAHYTUIJY-SNVBAGLBSA-N 1 1 310.310 -1.610 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cncnc2)CC1 ZINC001320405259 916508580 /nfs/dbraw/zinc/50/85/80/916508580.db2.gz JFPHYYFQIACMMV-UHFFFAOYSA-N 1 1 320.353 -1.305 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001320514529 916512718 /nfs/dbraw/zinc/51/27/18/916512718.db2.gz RIBFCFOTYZZNJO-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC001320553063 916514303 /nfs/dbraw/zinc/51/43/03/916514303.db2.gz FWLHJCWHNFDZPJ-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001320542039 916515261 /nfs/dbraw/zinc/51/52/61/916515261.db2.gz CYSSVHPALCSQTL-RNCFNFMXSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[NH+]1CC=CC1)S(N)(=O)=O ZINC001320580831 916516835 /nfs/dbraw/zinc/51/68/35/916516835.db2.gz XFPMFSLPTDKUCI-VIFPVBQESA-N 1 1 304.372 -2.232 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[NH+]1CC=CC1)S(N)(=O)=O ZINC001320580829 916518666 /nfs/dbraw/zinc/51/86/66/916518666.db2.gz XFPMFSLPTDKUCI-SECBINFHSA-N 1 1 304.372 -2.232 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)C[C@@H]1CCNC1=O ZINC001320757110 916527479 /nfs/dbraw/zinc/52/74/79/916527479.db2.gz YBVDSLBQALFHMC-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cc(C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001320966930 916536331 /nfs/dbraw/zinc/53/63/31/916536331.db2.gz UWCXCECZOZMFKZ-ARJAWSKDSA-N 1 1 305.342 -1.082 20 0 DAADMO CCN(CC[NH2+]Cc1nncn1C)C(=O)CS(=O)(=O)NC ZINC001320921493 916537298 /nfs/dbraw/zinc/53/72/98/916537298.db2.gz RZOWXAGZWHDNSE-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(=O)n(C)c1=O ZINC001320963099 916537742 /nfs/dbraw/zinc/53/77/42/916537742.db2.gz HEZLNLBAGKNNHW-CQSZACIVSA-N 1 1 321.337 -1.742 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)C[C@H]2CCNC2=O)nc1=O ZINC001321089386 916543530 /nfs/dbraw/zinc/54/35/30/916543530.db2.gz AWJUDSJIGRAGDP-VMZHVLLKSA-N 1 1 322.369 -1.603 20 0 DAADMO Cn1cnn(CC(=O)NC/C=C/C[NH2+]Cc2cnns2)c1=O ZINC001321123610 916549100 /nfs/dbraw/zinc/54/91/00/916549100.db2.gz BTOQSFKFWQDMJA-NSCUHMNNSA-N 1 1 323.382 -1.105 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)C(C)(C)C(N)=O)nc1=O ZINC001321107301 916550140 /nfs/dbraw/zinc/55/01/40/916550140.db2.gz NBOOTHYNYFEKPG-PLNGDYQASA-N 1 1 310.358 -1.618 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321185393 916551705 /nfs/dbraw/zinc/55/17/05/916551705.db2.gz KEKZYJBBKWIRKE-TYRPZCRBSA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001321184526 916551804 /nfs/dbraw/zinc/55/18/04/916551804.db2.gz GKQYMYFCVGQOPO-XOULXFPDSA-N 1 1 307.358 -1.399 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@@H]2CN(C)C(=O)N2)[nH]1 ZINC001321185447 916552744 /nfs/dbraw/zinc/55/27/44/916552744.db2.gz KRUHSNPVMWJOBO-FSIBCCDJSA-N 1 1 307.358 -1.101 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@@H]2CN(C)C(=O)N2)[nH]1 ZINC001321185450 916552895 /nfs/dbraw/zinc/55/28/95/916552895.db2.gz KRUHSNPVMWJOBO-XOULXFPDSA-N 1 1 307.358 -1.101 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)[C@H]2CN(C)C(=O)N2)[nH]1 ZINC001321185449 916552990 /nfs/dbraw/zinc/55/29/90/916552990.db2.gz KRUHSNPVMWJOBO-UMBAGQNISA-N 1 1 307.358 -1.101 20 0 DAADMO CCn1cc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001321219226 916556027 /nfs/dbraw/zinc/55/60/27/916556027.db2.gz DTTYQWGUDGLJAW-UFFNRZRYSA-N 1 1 307.358 -1.259 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CN1C(=O)CNC1=O ZINC001321317448 916564166 /nfs/dbraw/zinc/56/41/66/916564166.db2.gz UJYOYLQRENSHOD-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001321477510 916575845 /nfs/dbraw/zinc/57/58/45/916575845.db2.gz NXNYJFQQWQUQPN-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)CCO)CC1 ZINC001321526203 916576774 /nfs/dbraw/zinc/57/67/74/916576774.db2.gz UCDFSEGDRUVVFA-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO COC(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)OC ZINC001321577355 916582029 /nfs/dbraw/zinc/58/20/29/916582029.db2.gz HOVNFNFSUDNHHQ-MNOVXSKESA-N 1 1 308.400 -1.307 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCNC1=O ZINC001321594995 916583128 /nfs/dbraw/zinc/58/31/28/916583128.db2.gz VBWQNHNISQJOQO-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001321631339 916587567 /nfs/dbraw/zinc/58/75/67/916587567.db2.gz UBPWEFOTCIDPPM-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001321676211 916589950 /nfs/dbraw/zinc/58/99/50/916589950.db2.gz UPZKOSXWEKDXNS-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001321736201 916593640 /nfs/dbraw/zinc/59/36/40/916593640.db2.gz SVIDHBVGRONANQ-SECBINFHSA-N 1 1 323.357 -1.697 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)CN2C(=O)CNC2=O)n1 ZINC001321736119 916593918 /nfs/dbraw/zinc/59/39/18/916593918.db2.gz QTUAXJPQMMSHMQ-SNVBAGLBSA-N 1 1 320.353 -1.069 20 0 DAADMO CCON(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001321738515 916594099 /nfs/dbraw/zinc/59/40/99/916594099.db2.gz UNHBMKSQWCFRJM-UHFFFAOYSA-N 1 1 300.359 -1.323 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001321802896 916595790 /nfs/dbraw/zinc/59/57/90/916595790.db2.gz XGVLBZGFGQWUEE-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001321802896 916595804 /nfs/dbraw/zinc/59/58/04/916595804.db2.gz XGVLBZGFGQWUEE-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001321799160 916596125 /nfs/dbraw/zinc/59/61/25/916596125.db2.gz VKLAITRAFIAKFY-UHFFFAOYSA-N 1 1 314.386 -1.894 20 0 DAADMO COc1nn(C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001321803626 916596742 /nfs/dbraw/zinc/59/67/42/916596742.db2.gz JJXZWUXMZGUHMA-CYBMUJFWSA-N 1 1 311.342 -1.450 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001321823627 916600272 /nfs/dbraw/zinc/60/02/72/916600272.db2.gz ZZYWVSBRPIPQLI-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CO)CC1 ZINC001321847643 916602431 /nfs/dbraw/zinc/60/24/31/916602431.db2.gz CAZJXUUUMBEXBV-ZDUSSCGKSA-N 1 1 312.414 -1.421 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001321858887 916602610 /nfs/dbraw/zinc/60/26/10/916602610.db2.gz WRAVPDLRYPQOFI-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001321875504 916603396 /nfs/dbraw/zinc/60/33/96/916603396.db2.gz IKBFQNDARQFXJI-ZETCQYMHSA-N 1 1 316.329 -1.216 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001321987155 916612192 /nfs/dbraw/zinc/61/21/92/916612192.db2.gz FKAOFOHQBVXPFC-OBPIAQAESA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001321987149 916612381 /nfs/dbraw/zinc/61/23/81/916612381.db2.gz FKAOFOHQBVXPFC-JZRPKSSGSA-N 1 1 309.366 -1.273 20 0 DAADMO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1ncn[nH]1 ZINC001322022830 916615993 /nfs/dbraw/zinc/61/59/93/916615993.db2.gz HQKKAFHVYILYRF-VIFPVBQESA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1nc[nH]n1 ZINC001322022830 916616005 /nfs/dbraw/zinc/61/60/05/916616005.db2.gz HQKKAFHVYILYRF-VIFPVBQESA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)Cc1nnc[nH]1 ZINC001322043410 916616106 /nfs/dbraw/zinc/61/61/06/916616106.db2.gz MKTJKECXCSODBF-VIFPVBQESA-N 1 1 308.342 -1.410 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCNC1=O ZINC001322043063 916617190 /nfs/dbraw/zinc/61/71/90/916617190.db2.gz BPUQEFRXDSYUAC-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001322130502 916620431 /nfs/dbraw/zinc/62/04/31/916620431.db2.gz QJHNMYUSZIXDJQ-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001322130502 916620440 /nfs/dbraw/zinc/62/04/40/916620440.db2.gz QJHNMYUSZIXDJQ-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001322125886 916620625 /nfs/dbraw/zinc/62/06/25/916620625.db2.gz ZFVYAPCNZXFHIH-BDAKNGLRSA-N 1 1 314.342 -1.416 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001322179496 916623048 /nfs/dbraw/zinc/62/30/48/916623048.db2.gz XPLQRORDAXRBBW-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@H](C[N@H+](C)CCOCCO)NC(=O)C1CS(=O)(=O)C1 ZINC001322159992 916623979 /nfs/dbraw/zinc/62/39/79/916623979.db2.gz IWJBUGOZKBZMKO-SNVBAGLBSA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@H](C[N@@H+](C)CCOCCO)NC(=O)C1CS(=O)(=O)C1 ZINC001322159992 916623992 /nfs/dbraw/zinc/62/39/92/916623992.db2.gz IWJBUGOZKBZMKO-SNVBAGLBSA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195535 916625570 /nfs/dbraw/zinc/62/55/70/916625570.db2.gz HZLAJOASZMXTNB-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195535 916625580 /nfs/dbraw/zinc/62/55/80/916625580.db2.gz HZLAJOASZMXTNB-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCn2ncnc2C1 ZINC001322219012 916625988 /nfs/dbraw/zinc/62/59/88/916625988.db2.gz LQLCNOYHDXMPKW-UHFFFAOYSA-N 1 1 303.326 -1.058 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195538 916627069 /nfs/dbraw/zinc/62/70/69/916627069.db2.gz HZLAJOASZMXTNB-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195538 916627080 /nfs/dbraw/zinc/62/70/80/916627080.db2.gz HZLAJOASZMXTNB-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001322229627 916627352 /nfs/dbraw/zinc/62/73/52/916627352.db2.gz CUNOOHGEFLIHGQ-WCBMZHEXSA-N 1 1 321.337 -1.375 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001322228861 916627967 /nfs/dbraw/zinc/62/79/67/916627967.db2.gz OIYNOWKWMMKHCQ-ZOWXZIJZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001322228860 916627994 /nfs/dbraw/zinc/62/79/94/916627994.db2.gz OIYNOWKWMMKHCQ-XUJVJEKNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001322488028 916636146 /nfs/dbraw/zinc/63/61/46/916636146.db2.gz MHPVSXKKPXPBLC-PWSUYJOCSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001322557935 916645707 /nfs/dbraw/zinc/64/57/07/916645707.db2.gz GNRAUPKKAVFLPH-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)CC1 ZINC001322569880 916645817 /nfs/dbraw/zinc/64/58/17/916645817.db2.gz RMQDVPHNPIAUNV-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001322598088 916648770 /nfs/dbraw/zinc/64/87/70/916648770.db2.gz OVTCQZJDULGDAO-NNOLRYQLSA-N 1 1 317.411 -1.540 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC001322695272 916657152 /nfs/dbraw/zinc/65/71/52/916657152.db2.gz QUMYJZZHKHTGBV-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCNS(C)(=O)=O)C(C)C ZINC001322797228 916669045 /nfs/dbraw/zinc/66/90/45/916669045.db2.gz KLDFTQMDFWMKRQ-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO Cn1nccc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001322801269 916669091 /nfs/dbraw/zinc/66/90/91/916669091.db2.gz MFXPVAFDVOMUEV-UHFFFAOYSA-N 1 1 322.369 -1.361 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCC(=O)OC)C1 ZINC001322871824 916672610 /nfs/dbraw/zinc/67/26/10/916672610.db2.gz HGYKZUSCANWVCI-NSHDSACASA-N 1 1 315.370 -1.107 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC001322940032 916678208 /nfs/dbraw/zinc/67/82/08/916678208.db2.gz IRCMJTFCGJIXJI-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001322942254 916681115 /nfs/dbraw/zinc/68/11/15/916681115.db2.gz UDVJFXJEKJQWSA-SCZZXKLOSA-N 1 1 307.358 -1.575 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCNC1=O ZINC001322962295 916681573 /nfs/dbraw/zinc/68/15/73/916681573.db2.gz NLDFNLHRUDUWEU-QWRGUYRKSA-N 1 1 311.386 -2.305 20 0 DAADMO C[C@@H](CO)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322961236 916681743 /nfs/dbraw/zinc/68/17/43/916681743.db2.gz DSFWCKIZJXSJJH-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@H]1C ZINC001322942779 916682155 /nfs/dbraw/zinc/68/21/55/916682155.db2.gz XFBPWJZFJNFZCF-NXEZZACHSA-N 1 1 309.374 -1.233 20 0 DAADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@H]1C ZINC001322942779 916682164 /nfs/dbraw/zinc/68/21/64/916682164.db2.gz XFBPWJZFJNFZCF-NXEZZACHSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)[N@@H+](C)C1CC1 ZINC001322973469 916682763 /nfs/dbraw/zinc/68/27/63/916682763.db2.gz BEUHHYBRZWPXGM-SECBINFHSA-N 1 1 322.369 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCN2C(=O)CNC2=O)C1 ZINC001323033635 916687937 /nfs/dbraw/zinc/68/79/37/916687937.db2.gz HQGRLCQAQIJJGF-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC001323173582 916693902 /nfs/dbraw/zinc/69/39/02/916693902.db2.gz BLISBCZFIIPXOF-QWRGUYRKSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC001323173582 916693915 /nfs/dbraw/zinc/69/39/15/916693915.db2.gz BLISBCZFIIPXOF-QWRGUYRKSA-N 1 1 309.370 -1.128 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001323180169 916694166 /nfs/dbraw/zinc/69/41/66/916694166.db2.gz YNQIZKZIKKUOSI-JQWIXIFHSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001323180169 916694177 /nfs/dbraw/zinc/69/41/77/916694177.db2.gz YNQIZKZIKKUOSI-JQWIXIFHSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001323226809 916702352 /nfs/dbraw/zinc/70/23/52/916702352.db2.gz PGENPRSQMCMJAS-VIFPVBQESA-N 1 1 322.329 -2.585 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001323226809 916702367 /nfs/dbraw/zinc/70/23/67/916702367.db2.gz PGENPRSQMCMJAS-VIFPVBQESA-N 1 1 322.329 -2.585 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(F)F ZINC001323258361 916705256 /nfs/dbraw/zinc/70/52/56/916705256.db2.gz JESILYITVIGFHC-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(F)F ZINC001323258361 916705269 /nfs/dbraw/zinc/70/52/69/916705269.db2.gz JESILYITVIGFHC-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323299082 916711299 /nfs/dbraw/zinc/71/12/99/916711299.db2.gz SAXRRISQJNWZKH-CHWSQXEVSA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)CN1CC[NH+](C)CC1 ZINC001323334225 916713581 /nfs/dbraw/zinc/71/35/81/916713581.db2.gz VJEQWMQKVHUPJA-MQYQWHSLSA-N 1 1 324.425 -1.253 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001323378576 916718886 /nfs/dbraw/zinc/71/88/86/916718886.db2.gz QFBQAEKQUIQPBM-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323422400 916720501 /nfs/dbraw/zinc/72/05/01/916720501.db2.gz XEPSDERPQVNVQR-STQMWFEESA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001323423796 916720951 /nfs/dbraw/zinc/72/09/51/916720951.db2.gz AVQLVZPVQSRXIW-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001323423796 916720963 /nfs/dbraw/zinc/72/09/63/916720963.db2.gz AVQLVZPVQSRXIW-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC001323423792 916721309 /nfs/dbraw/zinc/72/13/09/916721309.db2.gz AVQLVZPVQSRXIW-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001323423792 916721320 /nfs/dbraw/zinc/72/13/20/916721320.db2.gz AVQLVZPVQSRXIW-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001323500642 916727675 /nfs/dbraw/zinc/72/76/75/916727675.db2.gz KBHVKDKTBAXXRF-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001323500642 916727686 /nfs/dbraw/zinc/72/76/86/916727686.db2.gz KBHVKDKTBAXXRF-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@](F)(CO)C1)[C@H]1C[N@H+](C)CCO1 ZINC001323570901 916733447 /nfs/dbraw/zinc/73/34/47/916733447.db2.gz VHUAJFLVYWTNPV-MISXGVKJSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@](F)(CO)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001323570901 916733462 /nfs/dbraw/zinc/73/34/62/916733462.db2.gz VHUAJFLVYWTNPV-MISXGVKJSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001323570606 916733957 /nfs/dbraw/zinc/73/39/57/916733957.db2.gz OHNSLCNXXCSOID-NWDODZNUSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001323570606 916733968 /nfs/dbraw/zinc/73/39/68/916733968.db2.gz OHNSLCNXXCSOID-NWDODZNUSA-N 1 1 319.427 -1.295 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1 ZINC001323580743 916734309 /nfs/dbraw/zinc/73/43/09/916734309.db2.gz WHQWJFMLAWXMRP-UHFFFAOYSA-N 1 1 302.360 -1.794 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1 ZINC001323580743 916734316 /nfs/dbraw/zinc/73/43/16/916734316.db2.gz WHQWJFMLAWXMRP-UHFFFAOYSA-N 1 1 302.360 -1.794 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001323710234 916744940 /nfs/dbraw/zinc/74/49/40/916744940.db2.gz CYXYNASIDZCAPO-IGQOVBAYSA-N 1 1 323.393 -1.072 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859683 916753274 /nfs/dbraw/zinc/75/32/74/916753274.db2.gz KVSNWOVOJMLREX-AMIZOPFISA-N 1 1 311.342 -2.021 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859947 916753332 /nfs/dbraw/zinc/75/33/32/916753332.db2.gz MDLNSWJPBBUACQ-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001323931074 916756778 /nfs/dbraw/zinc/75/67/78/916756778.db2.gz PFBGVFPDVFSYMX-OAHLLOKOSA-N 1 1 322.365 -1.185 20 0 DAADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001323931072 916757180 /nfs/dbraw/zinc/75/71/80/916757180.db2.gz PFBGVFPDVFSYMX-HNNXBMFYSA-N 1 1 322.365 -1.185 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ncn(C)n1 ZINC001324017422 916762997 /nfs/dbraw/zinc/76/29/97/916762997.db2.gz COPDRWVYZPUJFD-NSHDSACASA-N 1 1 324.385 -1.169 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001324070522 916765058 /nfs/dbraw/zinc/76/50/58/916765058.db2.gz YBCSJKSERZZMTK-ZDUSSCGKSA-N 1 1 314.430 -1.127 20 0 DAADMO CC1(C)NC(=O)N(CCC[NH+]2CCN(CC(N)=O)CC2)C1=O ZINC001324296291 916773590 /nfs/dbraw/zinc/77/35/90/916773590.db2.gz CPVAQAWZBCLBBI-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC001324391902 916780126 /nfs/dbraw/zinc/78/01/26/916780126.db2.gz SZFGRKTZXLQSNJ-UHFFFAOYSA-N 1 1 309.374 -1.183 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC001324508031 916783468 /nfs/dbraw/zinc/78/34/68/916783468.db2.gz ZLZHSWGWEJPFTK-UHFFFAOYSA-N 1 1 324.403 -2.654 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](CO)NC(N)=O)CCCO1 ZINC001324623827 916791682 /nfs/dbraw/zinc/79/16/82/916791682.db2.gz KIYDSJDKRQNLPG-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001324658645 916794327 /nfs/dbraw/zinc/79/43/27/916794327.db2.gz WFZALDAHCGOEOY-HNNXBMFYSA-N 1 1 324.381 -1.244 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001324658645 916794333 /nfs/dbraw/zinc/79/43/33/916794333.db2.gz WFZALDAHCGOEOY-HNNXBMFYSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC001324693983 916794362 /nfs/dbraw/zinc/79/43/62/916794362.db2.gz LCEBNPARJMQUIP-JQWIXIFHSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324693983 916794368 /nfs/dbraw/zinc/79/43/68/916794368.db2.gz LCEBNPARJMQUIP-JQWIXIFHSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC001324693102 916794622 /nfs/dbraw/zinc/79/46/22/916794622.db2.gz MCCFRZXSBVXJDB-MRVPVSSYSA-N 1 1 309.326 -1.400 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC001324693103 916795219 /nfs/dbraw/zinc/79/52/19/916795219.db2.gz MCCFRZXSBVXJDB-QMMMGPOBSA-N 1 1 309.326 -1.400 20 0 DAADMO CN(CC[N@@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001324648129 916795336 /nfs/dbraw/zinc/79/53/36/916795336.db2.gz SYUKIWDRHZMJLP-LLVKDONJSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC[N@H+]1CC[C@@](C)(NC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001324648129 916795347 /nfs/dbraw/zinc/79/53/47/916795347.db2.gz SYUKIWDRHZMJLP-LLVKDONJSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001324845046 916797203 /nfs/dbraw/zinc/79/72/03/916797203.db2.gz HTISAUAMYMTCDW-BDAKNGLRSA-N 1 1 311.346 -2.338 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324845046 916797216 /nfs/dbraw/zinc/79/72/16/916797216.db2.gz HTISAUAMYMTCDW-BDAKNGLRSA-N 1 1 311.346 -2.338 20 0 DAADMO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001324969877 916803207 /nfs/dbraw/zinc/80/32/07/916803207.db2.gz JZNLSESLRSPVHC-GRYCIOLGSA-N 1 1 308.382 -1.162 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001324999009 916803814 /nfs/dbraw/zinc/80/38/14/916803814.db2.gz FRUHDSMSDKWJFD-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCn1ncc(C[NH2+]C2(CNC(=O)CC(N)=O)CCOCC2)n1 ZINC001324994252 916803965 /nfs/dbraw/zinc/80/39/65/916803965.db2.gz ZVUUKPJGRKNSOG-UHFFFAOYSA-N 1 1 324.385 -1.072 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)C1=COCCO1 ZINC001325067268 916809051 /nfs/dbraw/zinc/80/90/51/916809051.db2.gz JQLLIUGRNUQCHY-AWEZNQCLSA-N 1 1 316.354 -1.564 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066691 916809532 /nfs/dbraw/zinc/80/95/32/916809532.db2.gz HMARBEUATKACDU-HZMBPMFUSA-N 1 1 321.337 -1.619 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066691 916809550 /nfs/dbraw/zinc/80/95/50/916809550.db2.gz HMARBEUATKACDU-HZMBPMFUSA-N 1 1 321.337 -1.619 20 0 DAADMO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001325086543 916813884 /nfs/dbraw/zinc/81/38/84/916813884.db2.gz QGTWNFUGQBQPTE-IINYFYTJSA-N 1 1 322.369 -1.806 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncc[nH]1 ZINC001325082486 916814339 /nfs/dbraw/zinc/81/43/39/916814339.db2.gz NQJKKZRXKBDLGQ-YMTOWFKASA-N 1 1 321.337 -1.619 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001325081985 916815035 /nfs/dbraw/zinc/81/50/35/916815035.db2.gz LXXYOSFXQMNGDF-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001325081985 916815053 /nfs/dbraw/zinc/81/50/53/916815053.db2.gz LXXYOSFXQMNGDF-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)sn1 ZINC001325126570 916816818 /nfs/dbraw/zinc/81/68/18/916816818.db2.gz QJYNXDDNVTXBRS-LBPRGKRZSA-N 1 1 314.367 -1.310 20 0 DAADMO COc1cc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)sn1 ZINC001325126570 916816837 /nfs/dbraw/zinc/81/68/37/916816837.db2.gz QJYNXDDNVTXBRS-LBPRGKRZSA-N 1 1 314.367 -1.310 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126803 916816998 /nfs/dbraw/zinc/81/69/98/916816998.db2.gz QZOZYLWKPSKNSH-AWEZNQCLSA-N 1 1 309.370 -1.462 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112910 916817113 /nfs/dbraw/zinc/81/71/13/916817113.db2.gz DBVUYIVLSUVRFP-XPTSAGLGSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112910 916817133 /nfs/dbraw/zinc/81/71/33/916817133.db2.gz DBVUYIVLSUVRFP-XPTSAGLGSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001325116122 916817760 /nfs/dbraw/zinc/81/77/60/916817760.db2.gz ZOLRUIMSRXKMEI-IAQYHMDHSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001325116122 916817773 /nfs/dbraw/zinc/81/77/73/916817773.db2.gz ZOLRUIMSRXKMEI-IAQYHMDHSA-N 1 1 324.381 -2.092 20 0 DAADMO COCCC[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001325111500 916818339 /nfs/dbraw/zinc/81/83/39/916818339.db2.gz TUBOSCKXVQTQSH-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)sn1 ZINC001325126569 916819242 /nfs/dbraw/zinc/81/92/42/916819242.db2.gz QJYNXDDNVTXBRS-GFCCVEGCSA-N 1 1 314.367 -1.310 20 0 DAADMO COc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)sn1 ZINC001325126569 916819261 /nfs/dbraw/zinc/81/92/61/916819261.db2.gz QJYNXDDNVTXBRS-GFCCVEGCSA-N 1 1 314.367 -1.310 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001325159608 916826403 /nfs/dbraw/zinc/82/64/03/916826403.db2.gz HKSWEMVBFOPFIY-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001325161434 916826807 /nfs/dbraw/zinc/82/68/07/916826807.db2.gz OCMPYXDTMUSOMS-OAHLLOKOSA-N 1 1 324.381 -1.109 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001325225399 916832179 /nfs/dbraw/zinc/83/21/79/916832179.db2.gz XZPLWPRCPVGMCH-UHFFFAOYSA-N 1 1 315.370 -1.955 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCC(=O)NC2=O)C1 ZINC001325247085 916833408 /nfs/dbraw/zinc/83/34/08/916833408.db2.gz RKIJATXQHORQBI-MNOVXSKESA-N 1 1 324.381 -1.951 20 0 DAADMO CCCCC[NH+]1CC(O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001325307229 916839946 /nfs/dbraw/zinc/83/99/46/916839946.db2.gz AITSYYBYXGVGAE-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1cc(/C=C/C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001325495676 916849363 /nfs/dbraw/zinc/84/93/63/916849363.db2.gz YODDQRVHXNLOCS-MBVDDHJVSA-N 1 1 322.365 -1.720 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001325502369 916849407 /nfs/dbraw/zinc/84/94/07/916849407.db2.gz YCIPJYKOOHXHQY-ADEWGFFLSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001325502371 916849939 /nfs/dbraw/zinc/84/99/39/916849939.db2.gz YCIPJYKOOHXHQY-USWWRNFRSA-N 1 1 308.382 -1.068 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC(CO)C2)CC1 ZINC001325520808 916850604 /nfs/dbraw/zinc/85/06/04/916850604.db2.gz GIZLJHPYQSEPCS-UHFFFAOYSA-N 1 1 312.414 -1.421 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001325558301 916852974 /nfs/dbraw/zinc/85/29/74/916852974.db2.gz GPQUACOMYGQDHN-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)CCCO)CN1CC[NH+](C)CC1 ZINC001325695603 916858780 /nfs/dbraw/zinc/85/87/80/916858780.db2.gz LHTWYPUFSZDTCI-CYBMUJFWSA-N 1 1 314.430 -1.173 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001325751985 916862167 /nfs/dbraw/zinc/86/21/67/916862167.db2.gz OIDFDDZNSJLMOQ-RWMBFGLXSA-N 1 1 313.398 -1.103 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C1 ZINC001325754905 916862474 /nfs/dbraw/zinc/86/24/74/916862474.db2.gz WDAPMRHWUFSMHP-HLTSFMKQSA-N 1 1 318.324 -1.368 20 0 DAADMO Cn1nnnc1CNC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001325805074 916863684 /nfs/dbraw/zinc/86/36/84/916863684.db2.gz BKTQBWMXQNMKPA-UHFFFAOYSA-N 1 1 310.362 -2.634 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839509 916866892 /nfs/dbraw/zinc/86/68/92/916866892.db2.gz XSUZFSWRZKKLME-IINYFYTJSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839509 916866898 /nfs/dbraw/zinc/86/68/98/916866898.db2.gz XSUZFSWRZKKLME-IINYFYTJSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001325879605 916870940 /nfs/dbraw/zinc/87/09/40/916870940.db2.gz KSJRZBGIWFBSAI-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001325879604 916870989 /nfs/dbraw/zinc/87/09/89/916870989.db2.gz KSJRZBGIWFBSAI-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO COC(=O)N1CC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001325916140 916874390 /nfs/dbraw/zinc/87/43/90/916874390.db2.gz QWMPSPVLBGTUGV-VIFPVBQESA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCC(=O)NCC1CC1 ZINC001326002488 916880974 /nfs/dbraw/zinc/88/09/74/916880974.db2.gz GFWLVWIKELKGKU-UHFFFAOYSA-N 1 1 307.354 -1.050 20 0 DAADMO O=C([C@H]1CCOC1)N(CCO)CC[NH2+]Cc1nnnn1C1CC1 ZINC001325990475 916881148 /nfs/dbraw/zinc/88/11/48/916881148.db2.gz SPPOWLVUUZOHRP-NSHDSACASA-N 1 1 324.385 -1.045 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001325985873 916881732 /nfs/dbraw/zinc/88/17/32/916881732.db2.gz MPWOTBSYBNJCJF-UHFFFAOYSA-N 1 1 322.431 -1.500 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCc1ncn(C)n1)C[NH+]1CCOCC1 ZINC001326002308 916881771 /nfs/dbraw/zinc/88/17/71/916881771.db2.gz CPCUMCAQEQCQFR-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cnnn1C ZINC001326011394 916882914 /nfs/dbraw/zinc/88/29/14/916882914.db2.gz CHQUIOOLTVASAH-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)Cn2ncnn2)nn1C ZINC001326021174 916885305 /nfs/dbraw/zinc/88/53/05/916885305.db2.gz DUSIGKPSYSIYOV-UHFFFAOYSA-N 1 1 322.373 -1.674 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CCNC1=O ZINC001326032920 916885469 /nfs/dbraw/zinc/88/54/69/916885469.db2.gz HSKGXNWMWXYENC-LLVKDONJSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001326034064 916887274 /nfs/dbraw/zinc/88/72/74/916887274.db2.gz PRXOXDZOYOKPEN-GFCCVEGCSA-N 1 1 323.397 -1.191 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001326034608 916887843 /nfs/dbraw/zinc/88/78/43/916887843.db2.gz WPJPHFYERXVLLL-UHFFFAOYSA-N 1 1 313.362 -2.345 20 0 DAADMO CNC(=O)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001326052848 916888470 /nfs/dbraw/zinc/88/84/70/916888470.db2.gz NUOSXDYJVCHKRE-UHFFFAOYSA-N 1 1 312.414 -1.229 20 0 DAADMO CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN1C ZINC001326074735 916891697 /nfs/dbraw/zinc/89/16/97/916891697.db2.gz VHOSKQFPMOHVNW-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)nc1 ZINC001326070482 916892331 /nfs/dbraw/zinc/89/23/31/916892331.db2.gz OLCOLIZLYQLMEL-LBPRGKRZSA-N 1 1 321.381 -1.168 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)nc1 ZINC001326086845 916893682 /nfs/dbraw/zinc/89/36/82/916893682.db2.gz UZCZGYBXBPDNQD-UHFFFAOYSA-N 1 1 321.381 -1.039 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001326079560 916894013 /nfs/dbraw/zinc/89/40/13/916894013.db2.gz JFEHTAAYWXBYGH-NSHDSACASA-N 1 1 310.358 -1.988 20 0 DAADMO Cc1nc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)co1 ZINC001326079792 916894070 /nfs/dbraw/zinc/89/40/70/916894070.db2.gz KYZXXIINLAARPE-NSHDSACASA-N 1 1 311.342 -1.425 20 0 DAADMO Cc1nn(C)c(Cl)c1C[NH2+]CCN(CCO)C(=O)C(N)=O ZINC001326085546 916895634 /nfs/dbraw/zinc/89/56/34/916895634.db2.gz DTLDDIRLDYYFOT-UHFFFAOYSA-N 1 1 317.777 -1.222 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cnn(C)n1 ZINC001326107427 916898373 /nfs/dbraw/zinc/89/83/73/916898373.db2.gz LKCQPXUJPFQHTE-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001326107656 916899255 /nfs/dbraw/zinc/89/92/55/916899255.db2.gz PLWCMLLNARBPMX-QWHCGFSZSA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001326107656 916899267 /nfs/dbraw/zinc/89/92/67/916899267.db2.gz PLWCMLLNARBPMX-QWHCGFSZSA-N 1 1 312.414 -1.101 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001326127196 916899449 /nfs/dbraw/zinc/89/94/49/916899449.db2.gz JPQBFSQNWPFFQI-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)CC1 ZINC001326236305 916908750 /nfs/dbraw/zinc/90/87/50/916908750.db2.gz HDOCJYMPYCANMJ-CABCVRRESA-N 1 1 316.446 -2.123 20 0 DAADMO C[C@H](CNC(=O)C(=O)Nc1ncn(C)n1)C[NH+]1CCOCC1 ZINC001326274297 916910815 /nfs/dbraw/zinc/91/08/15/916910815.db2.gz JIDJALOTEKJGLG-SNVBAGLBSA-N 1 1 310.358 -1.162 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cncn1)[C@H]1C[N@H+](C)CCO1 ZINC001326449510 916919933 /nfs/dbraw/zinc/91/99/33/916919933.db2.gz NWGAKVGAMCXSMN-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cncn1)[C@H]1C[N@@H+](C)CCO1 ZINC001326449510 916919942 /nfs/dbraw/zinc/91/99/42/916919942.db2.gz NWGAKVGAMCXSMN-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC001326457874 916924169 /nfs/dbraw/zinc/92/41/69/916924169.db2.gz NXRJTWZPEXNBIW-JTQLQIEISA-N 1 1 307.358 -1.573 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC001326521787 916925409 /nfs/dbraw/zinc/92/54/09/916925409.db2.gz JTNQSYZPVUPIGP-SNVBAGLBSA-N 1 1 314.411 -1.502 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001326571677 916931780 /nfs/dbraw/zinc/93/17/80/916931780.db2.gz DGVFWGMBMBAIAW-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC[N@H+]1C ZINC001326596901 916933351 /nfs/dbraw/zinc/93/33/51/916933351.db2.gz NLJZKZKIVSIRAZ-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC001326600434 916934327 /nfs/dbraw/zinc/93/43/27/916934327.db2.gz WWZLLKZVUBOQOV-KKUMJFAQSA-N 1 1 300.447 -1.097 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1CCOCCO ZINC001326616607 916936787 /nfs/dbraw/zinc/93/67/87/916936787.db2.gz LBGZBEAWTLPICO-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)[N@@H+](C)C1CC1 ZINC001326627808 916939649 /nfs/dbraw/zinc/93/96/49/916939649.db2.gz PBEFALNRJVPKGL-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cn(C)nn1 ZINC001326649817 916941451 /nfs/dbraw/zinc/94/14/51/916941451.db2.gz JGQTYDYTTADOPL-UHFFFAOYSA-N 1 1 312.374 -1.484 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326732866 916952681 /nfs/dbraw/zinc/95/26/81/916952681.db2.gz PUKZPPWKTUVPJY-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2nnn(C)n2)CC[N@H+]1C ZINC001326787849 916955780 /nfs/dbraw/zinc/95/57/80/916955780.db2.gz BRIPQDIZAYZRRA-VHSXEESVSA-N 1 1 309.374 -1.233 20 0 DAADMO COc1cncc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001326776326 916955941 /nfs/dbraw/zinc/95/59/41/916955941.db2.gz XSHGWVXWVFITKF-CYBMUJFWSA-N 1 1 309.326 -1.394 20 0 DAADMO CS(=O)(=O)CCNC(=S)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326835964 916960991 /nfs/dbraw/zinc/96/09/91/916960991.db2.gz CSGVAQCFBQUCMD-VHSXEESVSA-N 1 1 307.441 -1.344 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1O ZINC001326825535 916961236 /nfs/dbraw/zinc/96/12/36/916961236.db2.gz ZYMDUPBMSALSOQ-RVMXOQNASA-N 1 1 311.382 -1.507 20 0 DAADMO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326845636 916962313 /nfs/dbraw/zinc/96/23/13/916962313.db2.gz JNJALCLKJBBHBQ-RWMBFGLXSA-N 1 1 310.398 -1.620 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC001326877981 916963442 /nfs/dbraw/zinc/96/34/42/916963442.db2.gz XTRGWCUIMDVVMO-YVECIDJPSA-N 1 1 310.398 -1.541 20 0 DAADMO O=C(NCCNC(=O)C1CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326891492 916967835 /nfs/dbraw/zinc/96/78/35/916967835.db2.gz QJAHERCIDBUSQW-NWDGAFQWSA-N 1 1 324.381 -2.094 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001326909372 916968347 /nfs/dbraw/zinc/96/83/47/916968347.db2.gz OTWACIWRWKBZJS-QNWHQSFQSA-N 1 1 311.382 -1.053 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001327015454 916981000 /nfs/dbraw/zinc/98/10/00/916981000.db2.gz BGEOYHYOMWZQJP-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC1([NH3+])CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001327180362 916991367 /nfs/dbraw/zinc/99/13/67/916991367.db2.gz ABJCTQQHIFXQFI-NWDGAFQWSA-N 1 1 310.398 -1.396 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001327121373 916992138 /nfs/dbraw/zinc/99/21/38/916992138.db2.gz OASLRTUXFBMCKR-JTQLQIEISA-N 1 1 320.353 -1.213 20 0 DAADMO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327175175 916992679 /nfs/dbraw/zinc/99/26/79/916992679.db2.gz CMHYHSIYCUATLE-HZSPNIEDSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(CCC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1nc[nH]n1 ZINC001327271216 916998705 /nfs/dbraw/zinc/99/87/05/916998705.db2.gz NTLNPUGLZZWUJF-UHFFFAOYSA-N 1 1 323.357 -1.250 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC001327419024 917012130 /nfs/dbraw/zinc/01/21/30/917012130.db2.gz OYRGVAVWOZZKOP-JQWIXIFHSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC001327419025 917012941 /nfs/dbraw/zinc/01/29/41/917012941.db2.gz OYRGVAVWOZZKOP-PWSUYJOCSA-N 1 1 324.381 -1.534 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](O)C[C@@H]1COC ZINC001327509250 917019995 /nfs/dbraw/zinc/01/99/95/917019995.db2.gz XGZVSVXDPWPALF-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001327572196 917028084 /nfs/dbraw/zinc/02/80/84/917028084.db2.gz VEANWUWGAUTNRP-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@](O)(C2CC2)C1 ZINC001327694656 917036823 /nfs/dbraw/zinc/03/68/23/917036823.db2.gz QLLHLHLWTGNDFP-WOSRLPQWSA-N 1 1 323.393 -1.363 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC001327828067 917044686 /nfs/dbraw/zinc/04/46/86/917044686.db2.gz UFUHYXWZMRZADH-QWRGUYRKSA-N 1 1 322.369 -1.189 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC001327828068 917045017 /nfs/dbraw/zinc/04/50/17/917045017.db2.gz UFUHYXWZMRZADH-WDEREUQCSA-N 1 1 322.369 -1.189 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001327918527 917050352 /nfs/dbraw/zinc/05/03/52/917050352.db2.gz SDDZXKPFXKOPTB-NXEZZACHSA-N 1 1 309.370 -1.392 20 0 DAADMO CCN(C(=O)C(=O)NCc1nnn(C)n1)[C@@H]1CC[N@@H+](CC)C1 ZINC001328010310 917057670 /nfs/dbraw/zinc/05/76/70/917057670.db2.gz VRVXFLAVHDJTEU-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO CNC(=O)C1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC1 ZINC001328127379 917062561 /nfs/dbraw/zinc/06/25/61/917062561.db2.gz BPJRIALZZXHGKX-UHFFFAOYSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)CC(=O)N1CCN(C2C[NH+](CCOCCO)C2)CC1 ZINC001328112703 917062999 /nfs/dbraw/zinc/06/29/99/917062999.db2.gz HDDFAVLAIHEEKA-UHFFFAOYSA-N 1 1 314.386 -2.301 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001328269500 917073759 /nfs/dbraw/zinc/07/37/59/917073759.db2.gz UKRRYECWBUVLSH-SNVBAGLBSA-N 1 1 322.369 -1.093 20 0 DAADMO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](C)C[N@H+]1CCO ZINC001328342320 917080167 /nfs/dbraw/zinc/08/01/67/917080167.db2.gz JPZLXVHLNQAGAX-VWYCJHECSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC001328584204 917095857 /nfs/dbraw/zinc/09/58/57/917095857.db2.gz PLTBYQCXGGVIHO-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001328623394 917098888 /nfs/dbraw/zinc/09/88/88/917098888.db2.gz WUVAMDFWMFYSLG-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCCOCCS(N)(=O)=O)no1 ZINC001328636140 917101534 /nfs/dbraw/zinc/10/15/34/917101534.db2.gz FYSDICNGAGNNKG-UHFFFAOYSA-N 1 1 320.371 -1.229 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)CN1CC[NH+](C)CC1 ZINC001328840656 917114905 /nfs/dbraw/zinc/11/49/05/917114905.db2.gz KYLKOBQLDBXWOM-UHFFFAOYSA-N 1 1 307.420 -2.254 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001328854296 917117585 /nfs/dbraw/zinc/11/75/85/917117585.db2.gz IJCWRSYEWZPMFQ-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC001329001924 917130743 /nfs/dbraw/zinc/13/07/43/917130743.db2.gz DMYSNJXSOBQBPW-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC001329001924 917130750 /nfs/dbraw/zinc/13/07/50/917130750.db2.gz DMYSNJXSOBQBPW-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001329030329 917133431 /nfs/dbraw/zinc/13/34/31/917133431.db2.gz PLYCLRPFKFNHMK-PWSUYJOCSA-N 1 1 324.385 -1.251 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001329030329 917133439 /nfs/dbraw/zinc/13/34/39/917133439.db2.gz PLYCLRPFKFNHMK-PWSUYJOCSA-N 1 1 324.385 -1.251 20 0 DAADMO COc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ncn1 ZINC001329045445 917136852 /nfs/dbraw/zinc/13/68/52/917136852.db2.gz NBZBOFZXXLCHEU-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO COc1cc(NC(=O)C(=O)NCC[NH+]2CCC(O)CC2)[nH]n1 ZINC001329107114 917141333 /nfs/dbraw/zinc/14/13/33/917141333.db2.gz IEZKERPNEWPVGP-UHFFFAOYSA-N 1 1 311.342 -1.070 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC001329097574 917141633 /nfs/dbraw/zinc/14/16/33/917141633.db2.gz BJJVZWOHISZOHE-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CN1C(=O)CN(CC(=O)NCCC[NH+]2CCN(C)CC2)C1=O ZINC001329160016 917148455 /nfs/dbraw/zinc/14/84/55/917148455.db2.gz XPSMPEWJWDJVBU-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001329196404 917151771 /nfs/dbraw/zinc/15/17/71/917151771.db2.gz RZMCSSAFEOLKHA-NXEZZACHSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329329905 917161037 /nfs/dbraw/zinc/16/10/37/917161037.db2.gz MHVDVESLNNTPGP-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001329413112 917164016 /nfs/dbraw/zinc/16/40/16/917164016.db2.gz SJNZZHHMVVSNDO-VHSXEESVSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001329413112 917164021 /nfs/dbraw/zinc/16/40/21/917164021.db2.gz SJNZZHHMVVSNDO-VHSXEESVSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](C(=O)NCCOCCS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001329445095 917166054 /nfs/dbraw/zinc/16/60/54/917166054.db2.gz UAQPDQYUOYWWFY-NSHDSACASA-N 1 1 322.431 -1.956 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329442669 917167427 /nfs/dbraw/zinc/16/74/27/917167427.db2.gz SLXGRQRIRWZSSB-RKDXNWHRSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@H](C(=O)NCCOCCS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001329445094 917167855 /nfs/dbraw/zinc/16/78/55/917167855.db2.gz UAQPDQYUOYWWFY-LLVKDONJSA-N 1 1 322.431 -1.956 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329433881 917168090 /nfs/dbraw/zinc/16/80/90/917168090.db2.gz YWHWDBAXPUXJAR-PSASIEDQSA-N 1 1 308.342 -1.330 20 0 DAADMO CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001329472083 917172103 /nfs/dbraw/zinc/17/21/03/917172103.db2.gz XPRKPARGDATUDV-VHSXEESVSA-N 1 1 319.383 -2.264 20 0 DAADMO CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001329472082 917172419 /nfs/dbraw/zinc/17/24/19/917172419.db2.gz XPRKPARGDATUDV-UWVGGRQHSA-N 1 1 319.383 -2.264 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@H](CO)C3)CC[C@@H]21 ZINC001329495215 917176772 /nfs/dbraw/zinc/17/67/72/917176772.db2.gz SQIIEABTGIIIHH-VOAKCMCISA-N 1 1 311.382 -1.649 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605967 917181931 /nfs/dbraw/zinc/18/19/31/917181931.db2.gz BDWCRIITGZAPIQ-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)[N@H+](C)CC(N)=O ZINC001329612450 917185553 /nfs/dbraw/zinc/18/55/53/917185553.db2.gz DJDKZFHRIBIGMO-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)[N@@H+](C)CC(N)=O ZINC001329612450 917185563 /nfs/dbraw/zinc/18/55/63/917185563.db2.gz DJDKZFHRIBIGMO-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO O=C(NCc1ncccn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329719129 917193938 /nfs/dbraw/zinc/19/39/38/917193938.db2.gz NUXNWXPQAKLUBE-WDEREUQCSA-N 1 1 305.338 -1.630 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC[C@@H]21 ZINC001329850053 917204036 /nfs/dbraw/zinc/20/40/36/917204036.db2.gz WOABCKKWENMPFF-WOPDTQHZSA-N 1 1 323.397 -1.192 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCn2cncn2)C1 ZINC001329961268 917214933 /nfs/dbraw/zinc/21/49/33/917214933.db2.gz ILOONXSZCLNYCQ-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H](O)[C@H](CO)C1 ZINC001329969497 917216111 /nfs/dbraw/zinc/21/61/11/917216111.db2.gz FFPGLDYHKAXDMP-YFKTTZPYSA-N 1 1 313.354 -2.925 20 0 DAADMO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001329972278 917216322 /nfs/dbraw/zinc/21/63/22/917216322.db2.gz HRORHHXIGVNXIU-ZOWXZIJZSA-N 1 1 310.398 -1.539 20 0 DAADMO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001329972277 917216697 /nfs/dbraw/zinc/21/66/97/917216697.db2.gz HRORHHXIGVNXIU-YWPYICTPSA-N 1 1 310.398 -1.539 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001330048252 917222171 /nfs/dbraw/zinc/22/21/71/917222171.db2.gz OEVXCHYLEGPPNO-SCZZXKLOSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001330048256 917223473 /nfs/dbraw/zinc/22/34/73/917223473.db2.gz OEVXCHYLEGPPNO-WPRPVWTQSA-N 1 1 322.365 -1.506 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001330045728 917223818 /nfs/dbraw/zinc/22/38/18/917223818.db2.gz DOWGUXHZCCFIQN-QMMMGPOBSA-N 1 1 306.388 -2.153 20 0 DAADMO COc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)nn1C ZINC001330086630 917229174 /nfs/dbraw/zinc/22/91/74/917229174.db2.gz XYWYJAJFKAHSLW-SECBINFHSA-N 1 1 311.342 -1.450 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001330132980 917231609 /nfs/dbraw/zinc/23/16/09/917231609.db2.gz NMEIUFJODWULKA-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001330132981 917232370 /nfs/dbraw/zinc/23/23/70/917232370.db2.gz NMEIUFJODWULKA-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CC1(C)C[N@@H+](CCOCCO)C[C@@H]1NC(=O)CCNC(N)=O ZINC001330242253 917234780 /nfs/dbraw/zinc/23/47/80/917234780.db2.gz ABEOVIZKQFJLCV-NSHDSACASA-N 1 1 316.402 -1.120 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001330274222 917236518 /nfs/dbraw/zinc/23/65/18/917236518.db2.gz FSGBTJKRAAUPOZ-FVCCEPFGSA-N 1 1 311.382 -1.432 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001330276174 917236944 /nfs/dbraw/zinc/23/69/44/917236944.db2.gz NJDMYKIOJKHVNN-CNDDSTCGSA-N 1 1 321.381 -1.025 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001330271089 917237466 /nfs/dbraw/zinc/23/74/66/917237466.db2.gz XFTQOLKYZTUKTB-NDBYEHHHSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001330271089 917237475 /nfs/dbraw/zinc/23/74/75/917237475.db2.gz XFTQOLKYZTUKTB-NDBYEHHHSA-N 1 1 311.382 -1.074 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001330327272 917239781 /nfs/dbraw/zinc/23/97/81/917239781.db2.gz JPPSWIXBMBLFCP-ZDEQEGDKSA-N 1 1 313.398 -1.201 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001330329152 917240314 /nfs/dbraw/zinc/24/03/14/917240314.db2.gz QWNHNTBECYBJNC-BGZDPUMWSA-N 1 1 311.342 -2.390 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)CCO1 ZINC001330325081 917240405 /nfs/dbraw/zinc/24/04/05/917240405.db2.gz AXQNHSXPYCLEGS-KKOKHZNYSA-N 1 1 324.381 -1.987 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC001330357455 917240500 /nfs/dbraw/zinc/24/05/00/917240500.db2.gz RYXNPMAQDMYXIP-LLVKDONJSA-N 1 1 322.369 -1.066 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001330327260 917240812 /nfs/dbraw/zinc/24/08/12/917240812.db2.gz JLLPVJRVUPHCOT-CNDDSTCGSA-N 1 1 324.381 -1.939 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC[N@@H+]1C ZINC001330495643 917250930 /nfs/dbraw/zinc/25/09/30/917250930.db2.gz JNFRXGLPLOHKHS-UPJWGTAASA-N 1 1 313.398 -1.403 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC[N@H+]1C ZINC001330495643 917250946 /nfs/dbraw/zinc/25/09/46/917250946.db2.gz JNFRXGLPLOHKHS-UPJWGTAASA-N 1 1 313.398 -1.403 20 0 DAADMO CCn1nccc1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001330753864 917263698 /nfs/dbraw/zinc/26/36/98/917263698.db2.gz KZHWELVOWFUHGK-ZDUSSCGKSA-N 1 1 322.413 -1.119 20 0 DAADMO CSCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001330741233 917264415 /nfs/dbraw/zinc/26/44/15/917264415.db2.gz FVWYKQHQIUUXOW-UHFFFAOYSA-N 1 1 316.427 -1.254 20 0 DAADMO CCn1cc(CNC(=O)C(=O)NCC[N@@H+](C)CCOC)nn1 ZINC001330901691 917268381 /nfs/dbraw/zinc/26/83/81/917268381.db2.gz MLEKTVYHAJDSIB-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO CCN(C(=O)C(=O)NCc1cc(C(N)=O)no1)[C@@H]1CC[N@@H+](C)C1 ZINC001330938742 917271294 /nfs/dbraw/zinc/27/12/94/917271294.db2.gz XGGIZSWMQNORJS-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+](CCOCCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001331039409 917273504 /nfs/dbraw/zinc/27/35/04/917273504.db2.gz QSHVVFJTUICWFL-LBPRGKRZSA-N 1 1 314.386 -1.401 20 0 DAADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC(CO)CO)cn1 ZINC001331041759 917274189 /nfs/dbraw/zinc/27/41/89/917274189.db2.gz KPLPEXJBIIFINY-UHFFFAOYSA-N 1 1 319.321 -1.016 20 0 DAADMO COC[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CNCCO1 ZINC001331043121 917274528 /nfs/dbraw/zinc/27/45/28/917274528.db2.gz SJBDEZHGVMLKCG-OAHLLOKOSA-N 1 1 315.414 -1.046 20 0 DAADMO COC[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CNCCO1 ZINC001331043119 917274722 /nfs/dbraw/zinc/27/47/22/917274722.db2.gz SJBDEZHGVMLKCG-HNNXBMFYSA-N 1 1 315.414 -1.046 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCOCCNC(=O)C(F)F ZINC001331087313 917277668 /nfs/dbraw/zinc/27/76/68/917277668.db2.gz AESRMTXUNUJKTF-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1ncc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001331117164 917278899 /nfs/dbraw/zinc/27/88/99/917278899.db2.gz DBOBZAUKFGZMRL-SNVBAGLBSA-N 1 1 323.353 -1.107 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331159435 917282363 /nfs/dbraw/zinc/28/23/63/917282363.db2.gz VMJGPGYFFRPCNB-VIFPVBQESA-N 1 1 302.331 -2.359 20 0 DAADMO C[N@@H+](CCOCCNC(=O)Cc1nc[nH]n1)[C@@H]1CCNC1=O ZINC001331160359 917283111 /nfs/dbraw/zinc/28/31/11/917283111.db2.gz CXFOGYDFLIIEDO-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO CN1CC[C@@H]([NH2+]CCCOCCNC(=O)c2ncn[nH]2)C1=O ZINC001331238920 917288708 /nfs/dbraw/zinc/28/87/08/917288708.db2.gz BXSWAQOCFJJNPD-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO CN1CC[C@@H]([NH2+]CCCOCCNC(=O)c2nc[nH]n2)C1=O ZINC001331238920 917288722 /nfs/dbraw/zinc/28/87/22/917288722.db2.gz BXSWAQOCFJJNPD-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001331319175 917291833 /nfs/dbraw/zinc/29/18/33/917291833.db2.gz OGQDJTFOFXXRHG-JTQLQIEISA-N 1 1 321.385 -1.198 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001331394123 917291924 /nfs/dbraw/zinc/29/19/24/917291924.db2.gz SZNCASRUUCGRNV-LLVKDONJSA-N 1 1 320.415 -2.202 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331621208 917306639 /nfs/dbraw/zinc/30/66/39/917306639.db2.gz QSZYOZBROQPTTR-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331621208 917306652 /nfs/dbraw/zinc/30/66/52/917306652.db2.gz QSZYOZBROQPTTR-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331621208 917306662 /nfs/dbraw/zinc/30/66/62/917306662.db2.gz QSZYOZBROQPTTR-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ncnn1C ZINC001331632459 917307132 /nfs/dbraw/zinc/30/71/32/917307132.db2.gz REZVNMHNTNHBMD-SNVBAGLBSA-N 1 1 322.369 -1.099 20 0 DAADMO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331621209 917307900 /nfs/dbraw/zinc/30/79/00/917307900.db2.gz QSZYOZBROQPTTR-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331621209 917307917 /nfs/dbraw/zinc/30/79/17/917307917.db2.gz QSZYOZBROQPTTR-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331621209 917307934 /nfs/dbraw/zinc/30/79/34/917307934.db2.gz QSZYOZBROQPTTR-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001331647155 917309801 /nfs/dbraw/zinc/30/98/01/917309801.db2.gz JCKSKEAYJZKYHM-NNYUYHANSA-N 1 1 308.382 -1.129 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001331664244 917314682 /nfs/dbraw/zinc/31/46/82/917314682.db2.gz HKUXEMAZTILWIO-NSHDSACASA-N 1 1 306.326 -1.671 20 0 DAADMO O=C(NCCS(=O)(=O)C1CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331730997 917322913 /nfs/dbraw/zinc/32/29/13/917322913.db2.gz JFVSSYZPXNWUAX-SECBINFHSA-N 1 1 319.383 -2.216 20 0 DAADMO CC[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CCNC1=O ZINC001331725247 917324662 /nfs/dbraw/zinc/32/46/62/917324662.db2.gz MIIRXDWRUBAOJN-HZMBPMFUSA-N 1 1 324.385 -1.702 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001331774568 917332768 /nfs/dbraw/zinc/33/27/68/917332768.db2.gz MXAXJHFANFWTPM-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001331773790 917333804 /nfs/dbraw/zinc/33/38/04/917333804.db2.gz IFOKQBYTJXJYCY-SECBINFHSA-N 1 1 310.358 -1.870 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001331774563 917335385 /nfs/dbraw/zinc/33/53/85/917335385.db2.gz MXAXJHFANFWTPM-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccccc1F ZINC001331775392 917338419 /nfs/dbraw/zinc/33/84/19/917338419.db2.gz SZRLSRIMHWYKEE-MRVPVSSYSA-N 1 1 312.301 -1.684 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001331774897 917338485 /nfs/dbraw/zinc/33/84/85/917338485.db2.gz OVLYIGLZKJSNLZ-QMMMGPOBSA-N 1 1 313.383 -1.321 20 0 DAADMO Cn1cc([C@H](O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC001331807138 917342465 /nfs/dbraw/zinc/34/24/65/917342465.db2.gz MBJYSSNAHVKOOY-RYUDHWBXSA-N 1 1 309.370 -1.091 20 0 DAADMO COCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001331870347 917345624 /nfs/dbraw/zinc/34/56/24/917345624.db2.gz PQFNEYFGUKTCHJ-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO COC(=O)C1CC[NH+](CCCNC(=O)CNC(=O)CN)CC1 ZINC001332126255 917354155 /nfs/dbraw/zinc/35/41/55/917354155.db2.gz ZLLJZRJZFYLRSQ-UHFFFAOYSA-N 1 1 314.386 -1.547 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001332211748 917359373 /nfs/dbraw/zinc/35/93/73/917359373.db2.gz RPLVSUSJFORDNA-SNVBAGLBSA-N 1 1 312.370 -1.135 20 0 DAADMO C[C@H]1CS(=O)(=O)CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC001332447035 917372536 /nfs/dbraw/zinc/37/25/36/917372536.db2.gz PHFSPUPPUGJFQT-JTQLQIEISA-N 1 1 303.384 -1.546 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1CC(F)F)C(=O)C(N)=O ZINC001332563304 917385181 /nfs/dbraw/zinc/38/51/81/917385181.db2.gz YXNJHRWVBYEUAU-SSDOTTSWSA-N 1 1 320.300 -2.063 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001332568428 917387650 /nfs/dbraw/zinc/38/76/50/917387650.db2.gz ZJHWPSMFCZAQGN-NSHDSACASA-N 1 1 321.381 -1.041 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332615748 917393596 /nfs/dbraw/zinc/39/35/96/917393596.db2.gz DTDNXPVYEZNFFX-CYBMUJFWSA-N 1 1 324.381 -1.179 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332615748 917393608 /nfs/dbraw/zinc/39/36/08/917393608.db2.gz DTDNXPVYEZNFFX-CYBMUJFWSA-N 1 1 324.381 -1.179 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001332619680 917394108 /nfs/dbraw/zinc/39/41/08/917394108.db2.gz PPSPXWIMNWUZPO-NXEZZACHSA-N 1 1 302.375 -1.910 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NCC(C)(C)C)C(=O)C(N)=O ZINC001332662714 917400703 /nfs/dbraw/zinc/40/07/03/917400703.db2.gz HFIRZTINOQCADF-JTQLQIEISA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NCC(C)(C)C)C(=O)C(N)=O ZINC001332662714 917400710 /nfs/dbraw/zinc/40/07/10/917400710.db2.gz HFIRZTINOQCADF-JTQLQIEISA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332675407 917400817 /nfs/dbraw/zinc/40/08/17/917400817.db2.gz BUCRMUCWNAPNNG-VHSXEESVSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332675407 917400821 /nfs/dbraw/zinc/40/08/21/917400821.db2.gz BUCRMUCWNAPNNG-VHSXEESVSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO[C@H]1CCOC1)C(=O)C(N)=O ZINC001332664473 917401326 /nfs/dbraw/zinc/40/13/26/917401326.db2.gz UIXARYPMHMGOAG-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332663385 917401505 /nfs/dbraw/zinc/40/15/05/917401505.db2.gz NFJRMRUZYRGING-JTQLQIEISA-N 1 1 317.390 -2.070 20 0 DAADMO COc1cc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001332665199 917401717 /nfs/dbraw/zinc/40/17/17/917401717.db2.gz YPTNGNIIINXOSB-MRVPVSSYSA-N 1 1 316.383 -1.112 20 0 DAADMO COc1cc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001332665199 917401728 /nfs/dbraw/zinc/40/17/28/917401728.db2.gz YPTNGNIIINXOSB-MRVPVSSYSA-N 1 1 316.383 -1.112 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001332664157 917402278 /nfs/dbraw/zinc/40/22/78/917402278.db2.gz SKWLFZXDDDTFHH-VHSXEESVSA-N 1 1 314.386 -1.733 20 0 DAADMO COc1ncccc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332662332 917402861 /nfs/dbraw/zinc/40/28/61/917402861.db2.gz DUDKGCGNXRTTLI-LLVKDONJSA-N 1 1 310.354 -1.173 20 0 DAADMO COc1ncccc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332662332 917402868 /nfs/dbraw/zinc/40/28/68/917402868.db2.gz DUDKGCGNXRTTLI-LLVKDONJSA-N 1 1 310.354 -1.173 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@H]1CNC(=O)C1 ZINC001332818711 917410473 /nfs/dbraw/zinc/41/04/73/917410473.db2.gz RJNGGQLNPVTQHS-LLVKDONJSA-N 1 1 314.386 -1.677 20 0 DAADMO CO[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001332847876 917413981 /nfs/dbraw/zinc/41/39/81/917413981.db2.gz KDUYEWNNHCCRLV-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001332961136 917415690 /nfs/dbraw/zinc/41/56/90/917415690.db2.gz SVUXEXSMFBGCGJ-MRVPVSSYSA-N 1 1 310.358 -1.690 20 0 DAADMO C[C@@H](NC(=O)CC(N)=O)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001332940469 917417166 /nfs/dbraw/zinc/41/71/66/917417166.db2.gz OAEKZZYXQGSETD-SECBINFHSA-N 1 1 324.385 -1.300 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001332992987 917419278 /nfs/dbraw/zinc/41/92/78/917419278.db2.gz DUZCBDQAYRYXHU-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001332992987 917419294 /nfs/dbraw/zinc/41/92/94/917419294.db2.gz DUZCBDQAYRYXHU-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001332992983 917420146 /nfs/dbraw/zinc/42/01/46/917420146.db2.gz DUZCBDQAYRYXHU-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001332992983 917420155 /nfs/dbraw/zinc/42/01/55/917420155.db2.gz DUZCBDQAYRYXHU-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332963906 917420218 /nfs/dbraw/zinc/42/02/18/917420218.db2.gz NKLIRBDLYXWRTD-QNWHQSFQSA-N 1 1 311.382 -1.507 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)OC)C1 ZINC001333061655 917420570 /nfs/dbraw/zinc/42/05/70/917420570.db2.gz RDKIQPZMOJOQRE-UWVGGRQHSA-N 1 1 319.333 -1.549 20 0 DAADMO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)CC2 ZINC001333223366 917426354 /nfs/dbraw/zinc/42/63/54/917426354.db2.gz HQAXSFPTKFNRHI-NSHDSACASA-N 1 1 319.365 -1.515 20 0 DAADMO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)CC2 ZINC001333223366 917426373 /nfs/dbraw/zinc/42/63/73/917426373.db2.gz HQAXSFPTKFNRHI-NSHDSACASA-N 1 1 319.365 -1.515 20 0 DAADMO CN(CCOCC[NH2+]Cc1nncn1C)C(=O)c1ncn(C)n1 ZINC001333219573 917426463 /nfs/dbraw/zinc/42/64/63/917426463.db2.gz XUBMGHBQWNGMOU-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)c1cnnn1C ZINC001333218633 917427601 /nfs/dbraw/zinc/42/76/01/917427601.db2.gz QTZWTFQDEAYNTD-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO Cc1nnc(C[NH2+]CCOCCN(C)C(=O)[C@H]2CCNC2=O)[nH]1 ZINC001333243850 917430609 /nfs/dbraw/zinc/43/06/09/917430609.db2.gz AWRRBBUTRAFSQS-NSHDSACASA-N 1 1 324.385 -1.186 20 0 DAADMO C[C@]12C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@@]1(C)C(=O)NC2=O ZINC001333226141 917431197 /nfs/dbraw/zinc/43/11/97/917431197.db2.gz VQPOZXZTMBRROY-QPKOPYBWSA-N 1 1 312.366 -1.127 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001333338146 917433877 /nfs/dbraw/zinc/43/38/77/917433877.db2.gz ZEBXASHDRCIPSY-UHFFFAOYSA-N 1 1 306.326 -1.034 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001333338146 917433891 /nfs/dbraw/zinc/43/38/91/917433891.db2.gz ZEBXASHDRCIPSY-UHFFFAOYSA-N 1 1 306.326 -1.034 20 0 DAADMO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001333272607 917434315 /nfs/dbraw/zinc/43/43/15/917434315.db2.gz XUXFOSVACIRJCA-HZMBPMFUSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001333272607 917434328 /nfs/dbraw/zinc/43/43/28/917434328.db2.gz XUXFOSVACIRJCA-HZMBPMFUSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001333272610 917435135 /nfs/dbraw/zinc/43/51/35/917435135.db2.gz XUXFOSVACIRJCA-YGRLFVJLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001333272610 917435141 /nfs/dbraw/zinc/43/51/41/917435141.db2.gz XUXFOSVACIRJCA-YGRLFVJLSA-N 1 1 313.354 -1.403 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001333349298 917437589 /nfs/dbraw/zinc/43/75/89/917437589.db2.gz GRUOQWLFKBLUFU-NSHDSACASA-N 1 1 309.370 -1.448 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001333349298 917437606 /nfs/dbraw/zinc/43/76/06/917437606.db2.gz GRUOQWLFKBLUFU-NSHDSACASA-N 1 1 309.370 -1.448 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H]1CN(C)CCN1C)[C@H]1CC[NH2+]C1 ZINC001333376967 917438021 /nfs/dbraw/zinc/43/80/21/917438021.db2.gz FFIOKPLCALTTGC-QWHCGFSZSA-N 1 1 311.430 -1.441 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001333378397 917438705 /nfs/dbraw/zinc/43/87/05/917438705.db2.gz MSRCFVGRLWFAAW-GFCCVEGCSA-N 1 1 310.398 -1.453 20 0 DAADMO NC(=O)C(=O)NCC1=CC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001333392962 917441166 /nfs/dbraw/zinc/44/11/66/917441166.db2.gz XPYXNNHCNKKPQB-UHFFFAOYSA-N 1 1 309.326 -2.228 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC001333392792 917442079 /nfs/dbraw/zinc/44/20/79/917442079.db2.gz JHUTYLMBTYSOEE-CYBMUJFWSA-N 1 1 317.430 -1.112 20 0 DAADMO NC(=O)C(=O)NCC1=CC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001333389392 917442252 /nfs/dbraw/zinc/44/22/52/917442252.db2.gz BDGBYSCWOPFFAE-UHFFFAOYSA-N 1 1 308.338 -1.631 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001333979354 917468175 /nfs/dbraw/zinc/46/81/75/917468175.db2.gz WMYXLJASKUDEDC-KXUCPTDWSA-N 1 1 319.333 -1.551 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001333979354 917468181 /nfs/dbraw/zinc/46/81/81/917468181.db2.gz WMYXLJASKUDEDC-KXUCPTDWSA-N 1 1 319.333 -1.551 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001334044850 917471895 /nfs/dbraw/zinc/47/18/95/917471895.db2.gz VONFHCXOOZWZJQ-BJJPWKGXSA-N 1 1 323.393 -1.195 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001334009171 917472303 /nfs/dbraw/zinc/47/23/03/917472303.db2.gz MKIYXFIUKSIHSP-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001334044853 917472760 /nfs/dbraw/zinc/47/27/60/917472760.db2.gz VONFHCXOOZWZJQ-MEBFFEOJSA-N 1 1 323.393 -1.195 20 0 DAADMO CN1CC[NH+](CCCNC(=O)CCCS(N)(=O)=O)CC1 ZINC001334100130 917475518 /nfs/dbraw/zinc/47/55/18/917475518.db2.gz HMYIAUCVTXCBQV-UHFFFAOYSA-N 1 1 306.432 -1.191 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC001334058025 917476221 /nfs/dbraw/zinc/47/62/21/917476221.db2.gz NETJTVVHBVUWBZ-YWPYICTPSA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001334206400 917478326 /nfs/dbraw/zinc/47/83/26/917478326.db2.gz JQZKZWVMMYCZQT-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001334206400 917478336 /nfs/dbraw/zinc/47/83/36/917478336.db2.gz JQZKZWVMMYCZQT-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@H+]1CCC[C@H]1Cn1nnnc1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001334477528 917488760 /nfs/dbraw/zinc/48/87/60/917488760.db2.gz DYZDWGDXRWCPBL-GARJFASQSA-N 1 1 319.369 -1.134 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001334432749 917489325 /nfs/dbraw/zinc/48/93/25/917489325.db2.gz BITYUVPZTHMMDP-NSHDSACASA-N 1 1 310.354 -1.139 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN(C(=O)C(N)=O)C1 ZINC001334638815 917500506 /nfs/dbraw/zinc/50/05/06/917500506.db2.gz VOXARLZAMWKTGL-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CCO)CN(C(=O)C(N)=O)C2)C1 ZINC001334682473 917503056 /nfs/dbraw/zinc/50/30/56/917503056.db2.gz WGLSGPGFUWSGOT-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO COC(=O)CCNC(=O)CN1CCN(C)CC[N@@H+](C)CC1 ZINC001334661106 917503114 /nfs/dbraw/zinc/50/31/14/917503114.db2.gz WEKXTSQSUYVLRF-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)C1=O ZINC001334764154 917506639 /nfs/dbraw/zinc/50/66/39/917506639.db2.gz RWLDVOZTEWCBAW-IINYFYTJSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)C[C@]2(C)C1 ZINC001335015762 917518656 /nfs/dbraw/zinc/51/86/56/917518656.db2.gz IGJJKUHUQXCNGR-HFAKWTLXSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001335077908 917520122 /nfs/dbraw/zinc/52/01/22/917520122.db2.gz ZOCIGPJXXHCAGX-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001335077908 917520134 /nfs/dbraw/zinc/52/01/34/917520134.db2.gz ZOCIGPJXXHCAGX-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001335075276 917520656 /nfs/dbraw/zinc/52/06/56/917520656.db2.gz KRJQETHOWIUGBM-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001335075276 917520661 /nfs/dbraw/zinc/52/06/61/917520661.db2.gz KRJQETHOWIUGBM-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001335075277 917520738 /nfs/dbraw/zinc/52/07/38/917520738.db2.gz KRJQETHOWIUGBM-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC001335075277 917520755 /nfs/dbraw/zinc/52/07/55/917520755.db2.gz KRJQETHOWIUGBM-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC=C[C@@H]1CO ZINC001335094570 917520787 /nfs/dbraw/zinc/52/07/87/917520787.db2.gz YZKZCDAYLPWPQG-CQSZACIVSA-N 1 1 324.425 -1.158 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001335073400 917521124 /nfs/dbraw/zinc/52/11/24/917521124.db2.gz MMAJXWHEZLZPFI-QWRGUYRKSA-N 1 1 319.431 -1.272 20 0 DAADMO C[C@H](NC(=O)c1ncn[nH]1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001335101853 917522816 /nfs/dbraw/zinc/52/28/16/917522816.db2.gz XGULGIKUHLHANI-JTQLQIEISA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001335101853 917522831 /nfs/dbraw/zinc/52/28/31/917522831.db2.gz XGULGIKUHLHANI-JTQLQIEISA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001335101855 917524334 /nfs/dbraw/zinc/52/43/34/917524334.db2.gz XGULGIKUHLHANI-SNVBAGLBSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001335101855 917524342 /nfs/dbraw/zinc/52/43/42/917524342.db2.gz XGULGIKUHLHANI-SNVBAGLBSA-N 1 1 324.385 -1.040 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)NC1)CCOCCO ZINC001335152134 917526542 /nfs/dbraw/zinc/52/65/42/917526542.db2.gz ZHYLAMSZAPMFMV-GFCCVEGCSA-N 1 1 301.387 -1.040 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCCCON)CC1(C)C ZINC001335185336 917530541 /nfs/dbraw/zinc/53/05/41/917530541.db2.gz RTEJMDGZTQDPQP-UHFFFAOYSA-N 1 1 315.418 -1.475 20 0 DAADMO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335205564 917532736 /nfs/dbraw/zinc/53/27/36/917532736.db2.gz VFPOQJIIVOSJQQ-QWHCGFSZSA-N 1 1 310.398 -1.620 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001335230173 917536919 /nfs/dbraw/zinc/53/69/19/917536919.db2.gz KYPFBISQQJKYRL-UHFFFAOYSA-N 1 1 316.402 -1.695 20 0 DAADMO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001335279664 917539427 /nfs/dbraw/zinc/53/94/27/917539427.db2.gz ZBQXFBDQQVUBQU-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001335554439 917553947 /nfs/dbraw/zinc/55/39/47/917553947.db2.gz DVIMMMWKCAMVAV-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001335554439 917553956 /nfs/dbraw/zinc/55/39/56/917553956.db2.gz DVIMMMWKCAMVAV-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001335801853 917561882 /nfs/dbraw/zinc/56/18/82/917561882.db2.gz MFKNYGFKCVVBDJ-XJFOESAGSA-N 1 1 324.425 -1.103 20 0 DAADMO COC(=O)N1CC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC001335977739 917567815 /nfs/dbraw/zinc/56/78/15/917567815.db2.gz PCOYVMNETHXVGM-ZUZCIYMTSA-N 1 1 324.381 -1.037 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001336134064 917571151 /nfs/dbraw/zinc/57/11/51/917571151.db2.gz KQDWHFISKGDQJV-BFHYXJOUSA-N 1 1 324.425 -1.149 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001336134064 917571158 /nfs/dbraw/zinc/57/11/58/917571158.db2.gz KQDWHFISKGDQJV-BFHYXJOUSA-N 1 1 324.425 -1.149 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001336327177 917579244 /nfs/dbraw/zinc/57/92/44/917579244.db2.gz LTGYZHXEAYDCJA-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001336327177 917579259 /nfs/dbraw/zinc/57/92/59/917579259.db2.gz LTGYZHXEAYDCJA-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)N1CCN(C)CC[N@@H+](C)CC1 ZINC001336441308 917582259 /nfs/dbraw/zinc/58/22/59/917582259.db2.gz BCOGGBFIFRRCTD-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001336368637 917583387 /nfs/dbraw/zinc/58/33/87/917583387.db2.gz ADVIBNLQZUMGSE-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001336368637 917583393 /nfs/dbraw/zinc/58/33/93/917583393.db2.gz ADVIBNLQZUMGSE-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001336555994 917590589 /nfs/dbraw/zinc/59/05/89/917590589.db2.gz KBTFWMJDGDZCAT-MJBXVCDLSA-N 1 1 323.441 -1.584 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001337215068 917612875 /nfs/dbraw/zinc/61/28/75/917612875.db2.gz UTBFFUFPJCAQLP-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001337215068 917612883 /nfs/dbraw/zinc/61/28/83/917612883.db2.gz UTBFFUFPJCAQLP-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)NC(=O)CC(N)=O)C1 ZINC001337215072 917613057 /nfs/dbraw/zinc/61/30/57/917613057.db2.gz UTBFFUFPJCAQLP-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)NC(=O)CC(N)=O)C1 ZINC001337215072 917613065 /nfs/dbraw/zinc/61/30/65/917613065.db2.gz UTBFFUFPJCAQLP-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337602125 917631809 /nfs/dbraw/zinc/63/18/09/917631809.db2.gz MPRCYURCMXSGSH-VHSXEESVSA-N 1 1 300.359 -2.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610884 917632485 /nfs/dbraw/zinc/63/24/85/917632485.db2.gz XGIJGQGNBRPRJG-QWHCGFSZSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610884 917632505 /nfs/dbraw/zinc/63/25/05/917632505.db2.gz XGIJGQGNBRPRJG-QWHCGFSZSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610881 917633192 /nfs/dbraw/zinc/63/31/92/917633192.db2.gz XGIJGQGNBRPRJG-CHWSQXEVSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610881 917633202 /nfs/dbraw/zinc/63/32/02/917633202.db2.gz XGIJGQGNBRPRJG-CHWSQXEVSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001337612628 917634996 /nfs/dbraw/zinc/63/49/96/917634996.db2.gz YLHDWDMIPUGFIN-WDEREUQCSA-N 1 1 314.386 -1.671 20 0 DAADMO CCOCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001337654912 917641355 /nfs/dbraw/zinc/64/13/55/917641355.db2.gz FTFIFJQAGLBVHW-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)C(C)(C)C(N)=O ZINC001337691317 917644419 /nfs/dbraw/zinc/64/44/19/917644419.db2.gz RQKQGOODJTYANA-JTQLQIEISA-N 1 1 316.402 -1.569 20 0 DAADMO NC(=O)C(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(N)=O ZINC001338130573 917670088 /nfs/dbraw/zinc/67/00/88/917670088.db2.gz CWCQNOAJLZZNMQ-LLVKDONJSA-N 1 1 319.365 -1.251 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001338454962 917685668 /nfs/dbraw/zinc/68/56/68/917685668.db2.gz YALFPQIQBBLHKZ-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001338511480 917689425 /nfs/dbraw/zinc/68/94/25/917689425.db2.gz KPNPXVUMFDBVRL-ZJUUUORDSA-N 1 1 316.358 -2.872 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001338511480 917689435 /nfs/dbraw/zinc/68/94/35/917689435.db2.gz KPNPXVUMFDBVRL-ZJUUUORDSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001338553667 917691065 /nfs/dbraw/zinc/69/10/65/917691065.db2.gz PWPXZKQTGLUQDO-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O)C1 ZINC001338596094 917696882 /nfs/dbraw/zinc/69/68/82/917696882.db2.gz QUDMVKFKCPCZFQ-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001338657412 917701667 /nfs/dbraw/zinc/70/16/67/917701667.db2.gz ALPNRHLQTQVTPM-SNVBAGLBSA-N 1 1 311.342 -2.045 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C(N)=O ZINC001338657732 917703333 /nfs/dbraw/zinc/70/33/33/917703333.db2.gz CODXQWDCDZMLKX-UWVGGRQHSA-N 1 1 300.359 -2.299 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847675 917708801 /nfs/dbraw/zinc/70/88/01/917708801.db2.gz VKLOTWHETDWHFU-VHSXEESVSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847675 917708810 /nfs/dbraw/zinc/70/88/10/917708810.db2.gz VKLOTWHETDWHFU-VHSXEESVSA-N 1 1 314.386 -1.551 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC001339048824 917710255 /nfs/dbraw/zinc/71/02/55/917710255.db2.gz SXZNCVSOGUHYFJ-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001339377443 917716662 /nfs/dbraw/zinc/71/66/62/917716662.db2.gz KGWBJASRCSAPAE-SNVBAGLBSA-N 1 1 318.399 -1.360 20 0 DAADMO CNC(=O)C[NH+]1CCC(N2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)CC1 ZINC001339979362 917723857 /nfs/dbraw/zinc/72/38/57/917723857.db2.gz JPWIPTLPHAPVAJ-WCQYABFASA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1CC[C@H]1CN1C(=O)[C@@H]2C[C@H](N3C(=O)CNC3=O)CN2C1=O ZINC001339998074 917725633 /nfs/dbraw/zinc/72/56/33/917725633.db2.gz KIMKNUOWQGJTGM-GUBZILKMSA-N 1 1 321.337 -1.353 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)[C@H]1CNCCS1(=O)=O ZINC001340173590 917730647 /nfs/dbraw/zinc/73/06/47/917730647.db2.gz UMLRDIWXDBWNOO-LLVKDONJSA-N 1 1 307.416 -1.543 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1OCCN(C)C1=O ZINC001340298348 917734409 /nfs/dbraw/zinc/73/44/09/917734409.db2.gz SMUCWXKDHZCEIH-MNOVXSKESA-N 1 1 307.354 -1.250 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC001340298347 917734803 /nfs/dbraw/zinc/73/48/03/917734803.db2.gz SMUCWXKDHZCEIH-GHMZBOCLSA-N 1 1 307.354 -1.250 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNC(=O)CC1 ZINC001340611469 917736923 /nfs/dbraw/zinc/73/69/23/917736923.db2.gz MRUSFCNCLFKYMI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNC(=O)CC1 ZINC001340611467 917737748 /nfs/dbraw/zinc/73/77/48/917737748.db2.gz MRUSFCNCLFKYMI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](CCCCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770662 917739025 /nfs/dbraw/zinc/73/90/25/917739025.db2.gz JCRGXIFFMNEDKH-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CCCCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770662 917739036 /nfs/dbraw/zinc/73/90/36/917739036.db2.gz JCRGXIFFMNEDKH-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001340926942 917745701 /nfs/dbraw/zinc/74/57/01/917745701.db2.gz ATQGSGUKLSKQAB-RBSFLKMASA-N 1 1 307.442 -1.119 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCc3nc[nH]c3[C@]23CC[NH2+]C3)C1=O ZINC001341035568 917748057 /nfs/dbraw/zinc/74/80/57/917748057.db2.gz KKPRXBYECQFWQU-XHDPSFHLSA-N 1 1 319.365 -1.160 20 0 DAADMO O=C(CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CCOCC1 ZINC001341030638 917748648 /nfs/dbraw/zinc/74/86/48/917748648.db2.gz JTUHWQCTFZDJJY-LLVKDONJSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001341893895 917769528 /nfs/dbraw/zinc/76/95/28/917769528.db2.gz JOKKVPYOMGYLQL-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001341893895 917769538 /nfs/dbraw/zinc/76/95/38/917769538.db2.gz JOKKVPYOMGYLQL-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001341895797 917769720 /nfs/dbraw/zinc/76/97/20/917769720.db2.gz YXCAXNALZCZFBI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001341895797 917769731 /nfs/dbraw/zinc/76/97/31/917769731.db2.gz YXCAXNALZCZFBI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@](C)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001341919488 917770431 /nfs/dbraw/zinc/77/04/31/917770431.db2.gz OBPIKQPGWWJWED-VUPYVKPUSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@](C)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001341919488 917770442 /nfs/dbraw/zinc/77/04/42/917770442.db2.gz OBPIKQPGWWJWED-VUPYVKPUSA-N 1 1 305.400 -1.684 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC001341971155 917771835 /nfs/dbraw/zinc/77/18/35/917771835.db2.gz MMVQRCFXJUULDP-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001342009350 917773091 /nfs/dbraw/zinc/77/30/91/917773091.db2.gz NIQUHKMHOFSFLR-UHFFFAOYSA-N 1 1 323.353 -1.187 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC001341969466 917773278 /nfs/dbraw/zinc/77/32/78/917773278.db2.gz DDQYKFUOCWRZNC-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC001341971158 917773893 /nfs/dbraw/zinc/77/38/93/917773893.db2.gz MMVQRCFXJUULDP-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001342156585 917779141 /nfs/dbraw/zinc/77/91/41/917779141.db2.gz JVRBYADXYHSFKV-UHFFFAOYSA-N 1 1 322.325 -2.024 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001342487756 917784535 /nfs/dbraw/zinc/78/45/35/917784535.db2.gz JTNOCKSFJIMUKJ-JTQLQIEISA-N 1 1 311.338 -1.396 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001342487756 917784547 /nfs/dbraw/zinc/78/45/47/917784547.db2.gz JTNOCKSFJIMUKJ-JTQLQIEISA-N 1 1 311.338 -1.396 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001342468390 917784614 /nfs/dbraw/zinc/78/46/14/917784614.db2.gz ZEHLIPWCKJUNJC-WDEREUQCSA-N 1 1 324.385 -1.822 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001342487757 917785763 /nfs/dbraw/zinc/78/57/63/917785763.db2.gz JTNOCKSFJIMUKJ-SNVBAGLBSA-N 1 1 311.338 -1.396 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001342487757 917785779 /nfs/dbraw/zinc/78/57/79/917785779.db2.gz JTNOCKSFJIMUKJ-SNVBAGLBSA-N 1 1 311.338 -1.396 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCN(C)CC[N@H+](C)CC1)C(N)=O ZINC001342640879 917789107 /nfs/dbraw/zinc/78/91/07/917789107.db2.gz WJWULRQIQPJYAY-LBPRGKRZSA-N 1 1 313.402 -1.928 20 0 DAADMO COC[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)OC ZINC001343322568 917802490 /nfs/dbraw/zinc/80/24/90/917802490.db2.gz JLAXQWDUHGQZMX-LLVKDONJSA-N 1 1 319.427 -1.071 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001343489075 917810957 /nfs/dbraw/zinc/81/09/57/917810957.db2.gz WONNFJXGYGMLSC-UWVGGRQHSA-N 1 1 305.338 -1.054 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001343489073 917811037 /nfs/dbraw/zinc/81/10/37/917811037.db2.gz WONNFJXGYGMLSC-NXEZZACHSA-N 1 1 305.338 -1.054 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001343489079 917811837 /nfs/dbraw/zinc/81/18/37/917811837.db2.gz WONNFJXGYGMLSC-VHSXEESVSA-N 1 1 305.338 -1.054 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185159 917824920 /nfs/dbraw/zinc/82/49/20/917824920.db2.gz NFWZAXQTZJYAFG-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185159 917824938 /nfs/dbraw/zinc/82/49/38/917824938.db2.gz NFWZAXQTZJYAFG-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116285 917835367 /nfs/dbraw/zinc/83/53/67/917835367.db2.gz GCSHWRGTOPZPMI-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)C(N)=O ZINC001345163984 917837673 /nfs/dbraw/zinc/83/76/73/917837673.db2.gz JWXDCCYENQFJRC-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001345181766 917839076 /nfs/dbraw/zinc/83/90/76/917839076.db2.gz DIEUBZHDAPVGMK-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001345181766 917839087 /nfs/dbraw/zinc/83/90/87/917839087.db2.gz DIEUBZHDAPVGMK-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CCO ZINC001345288628 917840685 /nfs/dbraw/zinc/84/06/85/917840685.db2.gz QQDNGXQORYDYDD-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC001345689014 917850640 /nfs/dbraw/zinc/85/06/40/917850640.db2.gz QOLQNRVMZXUBDJ-LLVKDONJSA-N 1 1 324.381 -1.150 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001345691168 917851263 /nfs/dbraw/zinc/85/12/63/917851263.db2.gz JOAAXSIGQUSRNL-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001345710808 917854927 /nfs/dbraw/zinc/85/49/27/917854927.db2.gz APCHSKUBWHJGJQ-NSHDSACASA-N 1 1 324.381 -1.197 20 0 DAADMO COCC[NH2+]CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001345767303 917857479 /nfs/dbraw/zinc/85/74/79/917857479.db2.gz NBBNCLXNIGVTMZ-CQSZACIVSA-N 1 1 314.430 -1.255 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001345770827 917857564 /nfs/dbraw/zinc/85/75/64/917857564.db2.gz AYUYZKKLEJVXPG-MNOVXSKESA-N 1 1 314.386 -1.720 20 0 DAADMO [NH3+]CCCCn1cc(C(=O)NCC(=O)N2CCNCC2)nn1 ZINC001345813809 917863079 /nfs/dbraw/zinc/86/30/79/917863079.db2.gz YQBYBWVOHZXZIQ-UHFFFAOYSA-N 1 1 309.374 -1.821 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001345834374 917863471 /nfs/dbraw/zinc/86/34/71/917863471.db2.gz XQGKQAVTCYAULU-VXGBXAGGSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCN1C ZINC001346096287 917869963 /nfs/dbraw/zinc/86/99/63/917869963.db2.gz RMTXLWRYSOXZOB-GHMZBOCLSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001346096287 917869976 /nfs/dbraw/zinc/86/99/76/917869976.db2.gz RMTXLWRYSOXZOB-GHMZBOCLSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001346096287 917869985 /nfs/dbraw/zinc/86/99/85/917869985.db2.gz RMTXLWRYSOXZOB-GHMZBOCLSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCNS(C)(=O)=O ZINC001346152517 917872347 /nfs/dbraw/zinc/87/23/47/917872347.db2.gz IXBXIOAXWNRLQY-GHMZBOCLSA-N 1 1 304.416 -1.570 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC001346154165 917873655 /nfs/dbraw/zinc/87/36/55/917873655.db2.gz ZTLUMRLXBHFLNG-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001346195437 917875430 /nfs/dbraw/zinc/87/54/30/917875430.db2.gz PFJYWWOWWPXWSC-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCNC(=O)CC2)n1C ZINC001346212320 917878270 /nfs/dbraw/zinc/87/82/70/917878270.db2.gz KRUVJKTYFWYYLJ-UHFFFAOYSA-N 1 1 322.369 -1.549 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001346257243 917880143 /nfs/dbraw/zinc/88/01/43/917880143.db2.gz WVAXPVXYRMITBM-WDEREUQCSA-N 1 1 321.381 -1.425 20 0 DAADMO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC001346359066 917883931 /nfs/dbraw/zinc/88/39/31/917883931.db2.gz YUWCBCOZEKRHSM-NWDGAFQWSA-N 1 1 310.354 -1.084 20 0 DAADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001346515676 917888401 /nfs/dbraw/zinc/88/84/01/917888401.db2.gz HQOGEAUTOKKUFR-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346516232 917889260 /nfs/dbraw/zinc/88/92/60/917889260.db2.gz NCMHPQCSJRPFAS-QWHCGFSZSA-N 1 1 310.398 -1.620 20 0 DAADMO CN(Cc1cnccn1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346517702 917890043 /nfs/dbraw/zinc/89/00/43/917890043.db2.gz RPNLUTKVTBUZSP-QWHCGFSZSA-N 1 1 319.365 -1.288 20 0 DAADMO C[C@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC(=O)N1 ZINC001346567269 917890911 /nfs/dbraw/zinc/89/09/11/917890911.db2.gz RGJAYZPBFQIOFX-FIXISWKDSA-N 1 1 324.381 -1.951 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC(=O)N1 ZINC001346567270 917892504 /nfs/dbraw/zinc/89/25/04/917892504.db2.gz RGJAYZPBFQIOFX-RWSFTLGLSA-N 1 1 324.381 -1.951 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001346519282 917893055 /nfs/dbraw/zinc/89/30/55/917893055.db2.gz IAFHTUADALXENE-ZYHUDNBSSA-N 1 1 306.370 -1.356 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001346769155 917897203 /nfs/dbraw/zinc/89/72/03/917897203.db2.gz GKHFSGHAILBKPZ-CQSZACIVSA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001346770381 917897358 /nfs/dbraw/zinc/89/73/58/917897358.db2.gz QKZASLSSYDLAGZ-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001346770385 917897797 /nfs/dbraw/zinc/89/77/97/917897797.db2.gz QKZASLSSYDLAGZ-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001346926699 917902302 /nfs/dbraw/zinc/90/23/02/917902302.db2.gz OPULPZKSIRAUAB-ZDUSSCGKSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001347189755 917911926 /nfs/dbraw/zinc/91/19/26/917911926.db2.gz GETMVVLMPSISAB-WYUUTHIRSA-N 1 1 306.366 -1.552 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001347144395 917913601 /nfs/dbraw/zinc/91/36/01/917913601.db2.gz ZSYUPBKTDGGNOK-WVATUKLVSA-N 1 1 320.393 -1.114 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H]1O ZINC001347205990 917913671 /nfs/dbraw/zinc/91/36/71/917913671.db2.gz RTEUZADLOSSCMR-FRRDWIJNSA-N 1 1 313.398 -1.043 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC001347280840 917916268 /nfs/dbraw/zinc/91/62/68/917916268.db2.gz HDXIDNWJJYHXCA-NSHDSACASA-N 1 1 324.403 -2.343 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001347349095 917917573 /nfs/dbraw/zinc/91/75/73/917917573.db2.gz YSPVUEOUULXEQL-LLVKDONJSA-N 1 1 322.369 -1.066 20 0 DAADMO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342677 917917767 /nfs/dbraw/zinc/91/77/67/917917767.db2.gz LXIDWZPHYPNLMN-RDBSUJKOSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342677 917917782 /nfs/dbraw/zinc/91/77/82/917917782.db2.gz LXIDWZPHYPNLMN-RDBSUJKOSA-N 1 1 323.441 -1.169 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CC(=O)NCC(F)(F)F)CC1 ZINC001347496857 917920493 /nfs/dbraw/zinc/92/04/93/917920493.db2.gz SLTPSUBWUFJUTA-UHFFFAOYSA-N 1 1 324.303 -1.055 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC001347537570 917920573 /nfs/dbraw/zinc/92/05/73/917920573.db2.gz LUPXBUXEBZWGPB-JLLWLGSASA-N 1 1 306.366 -1.219 20 0 DAADMO COCCOCCN(CCO)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347851732 917926570 /nfs/dbraw/zinc/92/65/70/917926570.db2.gz LWDDPEHERFHNKR-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001348371332 917941627 /nfs/dbraw/zinc/94/16/27/917941627.db2.gz KFBRKFIUBRNNTC-LLVKDONJSA-N 1 1 322.365 -1.185 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001348647527 917961118 /nfs/dbraw/zinc/96/11/18/917961118.db2.gz DEPFMFWLDICFKE-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348648322 917961218 /nfs/dbraw/zinc/96/12/18/917961218.db2.gz SDWCXHAXHHIXHQ-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001348647529 917961939 /nfs/dbraw/zinc/96/19/39/917961939.db2.gz DEPFMFWLDICFKE-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CN2CCOCC2)C1 ZINC001348702711 917963968 /nfs/dbraw/zinc/96/39/68/917963968.db2.gz WIVUXLGISLCDAQ-LBPRGKRZSA-N 1 1 314.386 -2.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CN2CCOCC2)C1 ZINC001348702711 917963976 /nfs/dbraw/zinc/96/39/76/917963976.db2.gz WIVUXLGISLCDAQ-LBPRGKRZSA-N 1 1 314.386 -2.118 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[N@@H+](C)C1 ZINC001348726183 917964456 /nfs/dbraw/zinc/96/44/56/917964456.db2.gz CXYGICSBEBXQHF-SNVBAGLBSA-N 1 1 311.338 -1.301 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cc[nH]n2)C1 ZINC001348690523 917965752 /nfs/dbraw/zinc/96/57/52/917965752.db2.gz ALMLYMHAHAEWDE-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cc[nH]n2)C1 ZINC001348690523 917965764 /nfs/dbraw/zinc/96/57/64/917965764.db2.gz ALMLYMHAHAEWDE-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO COCCO[C@@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001348702971 917965996 /nfs/dbraw/zinc/96/59/96/917965996.db2.gz ZOHFHGITCLHAPX-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCO[C@@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001348702971 917966011 /nfs/dbraw/zinc/96/60/11/917966011.db2.gz ZOHFHGITCLHAPX-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nnn(C)c2C)C1 ZINC001348701010 917966081 /nfs/dbraw/zinc/96/60/81/917966081.db2.gz MIHRVWVSZWKASD-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nnn(C)c2C)C1 ZINC001348701010 917966093 /nfs/dbraw/zinc/96/60/93/917966093.db2.gz MIHRVWVSZWKASD-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CN(C)C(=O)CC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001348702178 917966905 /nfs/dbraw/zinc/96/69/05/917966905.db2.gz RXKHLXJXODBKFG-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CN(C)C(=O)CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001348702178 917966921 /nfs/dbraw/zinc/96/69/21/917966921.db2.gz RXKHLXJXODBKFG-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001348701102 917966998 /nfs/dbraw/zinc/96/69/98/917966998.db2.gz NCILACMWYXSBKN-LLVKDONJSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001348701102 917967016 /nfs/dbraw/zinc/96/70/16/917967016.db2.gz NCILACMWYXSBKN-LLVKDONJSA-N 1 1 314.386 -1.536 20 0 DAADMO COCCO[C@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001348702966 917967045 /nfs/dbraw/zinc/96/70/45/917967045.db2.gz ZOHFHGITCLHAPX-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCO[C@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001348702966 917967056 /nfs/dbraw/zinc/96/70/56/917967056.db2.gz ZOHFHGITCLHAPX-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO O=CN1CCC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348747235 917968506 /nfs/dbraw/zinc/96/85/06/917968506.db2.gz LUWPRPQWGHSJHC-KCQAQPDRSA-N 1 1 311.382 -1.051 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cnnn2C)C1 ZINC001348886665 917977708 /nfs/dbraw/zinc/97/77/08/917977708.db2.gz KVYVWWHTIXMUMX-GFCCVEGCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cnnn2C)C1 ZINC001348886666 917978002 /nfs/dbraw/zinc/97/80/02/917978002.db2.gz KVYVWWHTIXMUMX-LBPRGKRZSA-N 1 1 324.385 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001348998463 917984144 /nfs/dbraw/zinc/98/41/44/917984144.db2.gz OJEDBLURKORCPV-IUCAKERBSA-N 1 1 311.342 -2.231 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001349024147 917988247 /nfs/dbraw/zinc/98/82/47/917988247.db2.gz LNEJCWZVNVYNIZ-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)Cn1ncnn1 ZINC001349065056 917992879 /nfs/dbraw/zinc/99/28/79/917992879.db2.gz NINBVSMLEHFXDU-UHFFFAOYSA-N 1 1 311.346 -2.372 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCCNC(=O)Cn2ncnn2)no1 ZINC001349066644 917993141 /nfs/dbraw/zinc/99/31/41/917993141.db2.gz XLBWZNWQFXJFNF-UHFFFAOYSA-N 1 1 322.329 -1.731 20 0 DAADMO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCNCC1)C2=O ZINC001349110786 917995262 /nfs/dbraw/zinc/99/52/62/917995262.db2.gz GAJBYMXISWYUCE-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001349177229 917997557 /nfs/dbraw/zinc/99/75/57/917997557.db2.gz WDSDTCCKUQDZSU-GMTAPVOTSA-N 1 1 307.354 -1.863 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001349177231 917997963 /nfs/dbraw/zinc/99/79/63/917997963.db2.gz WDSDTCCKUQDZSU-OUAUKWLOSA-N 1 1 307.354 -1.863 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CCN(C)CC[N@H+](C)CC2)nn1 ZINC001349192771 918001191 /nfs/dbraw/zinc/00/11/91/918001191.db2.gz YNDFIRBFIZSRFC-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CCN(C)CC[N@@H+](C)CC2)nn1 ZINC001349192771 918001206 /nfs/dbraw/zinc/00/12/06/918001206.db2.gz YNDFIRBFIZSRFC-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001349301835 918011236 /nfs/dbraw/zinc/01/12/36/918011236.db2.gz OIVXMNHHNUIDBT-ZJUUUORDSA-N 1 1 307.358 -1.621 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001349335050 918014204 /nfs/dbraw/zinc/01/42/04/918014204.db2.gz HSNMUWDEXXLQEP-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC001349398203 918016535 /nfs/dbraw/zinc/01/65/35/918016535.db2.gz GFFDUUSULBBQSN-SNVBAGLBSA-N 1 1 303.388 -1.264 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)O1 ZINC001349498154 918021803 /nfs/dbraw/zinc/02/18/03/918021803.db2.gz WNHSHYSAQDUFKW-KSSYENDESA-N 1 1 311.382 -1.054 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001349530971 918022735 /nfs/dbraw/zinc/02/27/35/918022735.db2.gz WHTSPXCTKSDVNC-SNVBAGLBSA-N 1 1 307.354 -1.042 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001349644388 918027321 /nfs/dbraw/zinc/02/73/21/918027321.db2.gz MRPKLHZOVRMNLV-LLVKDONJSA-N 1 1 308.338 -1.796 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001349644388 918027333 /nfs/dbraw/zinc/02/73/33/918027333.db2.gz MRPKLHZOVRMNLV-LLVKDONJSA-N 1 1 308.338 -1.796 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC001349669047 918029782 /nfs/dbraw/zinc/02/97/82/918029782.db2.gz AUUQBMDVVWQXPP-UHFFFAOYSA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC001349670383 918031296 /nfs/dbraw/zinc/03/12/96/918031296.db2.gz MADZVISXTYBMBL-ONGXEEELSA-N 1 1 310.358 -1.733 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001349670383 918031310 /nfs/dbraw/zinc/03/13/10/918031310.db2.gz MADZVISXTYBMBL-ONGXEEELSA-N 1 1 310.358 -1.733 20 0 DAADMO CC(=O)N(C)CC(=O)NCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001349721950 918033499 /nfs/dbraw/zinc/03/34/99/918033499.db2.gz BIGIGMMZIFJYSC-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)N(C)CC(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001349721950 918033513 /nfs/dbraw/zinc/03/35/13/918033513.db2.gz BIGIGMMZIFJYSC-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)CS(C)(=O)=O ZINC001349772099 918036024 /nfs/dbraw/zinc/03/60/24/918036024.db2.gz GDWXETOLPWLDEF-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)CN1CN=NC1=O ZINC001349818340 918037470 /nfs/dbraw/zinc/03/74/70/918037470.db2.gz PVKNUFKLJLBQCM-SNVBAGLBSA-N 1 1 310.358 -1.300 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2nccnc2N)C1 ZINC001349831360 918037864 /nfs/dbraw/zinc/03/78/64/918037864.db2.gz HQBGJJKURTVKGN-SNVBAGLBSA-N 1 1 322.369 -1.375 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2nccnc2N)C1 ZINC001349831360 918037879 /nfs/dbraw/zinc/03/78/79/918037879.db2.gz HQBGJJKURTVKGN-SNVBAGLBSA-N 1 1 322.369 -1.375 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001349775815 918038542 /nfs/dbraw/zinc/03/85/42/918038542.db2.gz DCKDPEOLOJVWJI-TVQRCGJNSA-N 1 1 321.324 -1.290 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001349775815 918038554 /nfs/dbraw/zinc/03/85/54/918038554.db2.gz DCKDPEOLOJVWJI-TVQRCGJNSA-N 1 1 321.324 -1.290 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)N(C)C ZINC001349849101 918041779 /nfs/dbraw/zinc/04/17/79/918041779.db2.gz ZAEOXBQEKIYIMX-MNOVXSKESA-N 1 1 319.431 -2.113 20 0 DAADMO CCn1ncc(C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001349851735 918042063 /nfs/dbraw/zinc/04/20/63/918042063.db2.gz OJFQQMXFEDMPPM-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1ncc(C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001349851735 918042075 /nfs/dbraw/zinc/04/20/75/918042075.db2.gz OJFQQMXFEDMPPM-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO [NH3+]C1CCC(NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001349845236 918042364 /nfs/dbraw/zinc/04/23/64/918042364.db2.gz NIKIRBBJSRKQBY-IFWUJCSASA-N 1 1 310.398 -1.350 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001350068999 918048518 /nfs/dbraw/zinc/04/85/18/918048518.db2.gz GUNWGOFRGMQVES-JTQLQIEISA-N 1 1 324.381 -1.387 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)Cn2ncnn2)C1 ZINC001350089721 918049406 /nfs/dbraw/zinc/04/94/06/918049406.db2.gz IQZNABBQVQQTES-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCNC2=O)CC[N@H+]1C ZINC001350397612 918063287 /nfs/dbraw/zinc/06/32/87/918063287.db2.gz ARHDYLYIYZJARB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCN1CCNC1=O)C1=CC[N@@H+](C)CC1 ZINC001350472816 918065074 /nfs/dbraw/zinc/06/50/74/918065074.db2.gz YOVZLZGYWCORLQ-LLVKDONJSA-N 1 1 323.397 -1.106 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC001350585501 918068191 /nfs/dbraw/zinc/06/81/91/918068191.db2.gz LVBFSZBJJZOOEJ-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC001350585516 918068364 /nfs/dbraw/zinc/06/83/64/918068364.db2.gz LVBFSZBJJZOOEJ-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001350823417 918074813 /nfs/dbraw/zinc/07/48/13/918074813.db2.gz SEORDWIJCRGFRD-JUFZMCDQSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001350823417 918074827 /nfs/dbraw/zinc/07/48/27/918074827.db2.gz SEORDWIJCRGFRD-JUFZMCDQSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001350823419 918075497 /nfs/dbraw/zinc/07/54/97/918075497.db2.gz SEORDWIJCRGFRD-OXJKWZBOSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001350823419 918075510 /nfs/dbraw/zinc/07/55/10/918075510.db2.gz SEORDWIJCRGFRD-OXJKWZBOSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC001350823360 918075921 /nfs/dbraw/zinc/07/59/21/918075921.db2.gz RLXUBGBTSFONSS-PWSUYJOCSA-N 1 1 324.385 -1.391 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001350823360 918075938 /nfs/dbraw/zinc/07/59/38/918075938.db2.gz RLXUBGBTSFONSS-PWSUYJOCSA-N 1 1 324.385 -1.391 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(O)(COCCO)CC1 ZINC001350927549 918078283 /nfs/dbraw/zinc/07/82/83/918078283.db2.gz UGHZWDASWYEPLX-TZMCWYRMSA-N 1 1 316.398 -1.196 20 0 DAADMO CCOCCn1nnnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001351042315 918080450 /nfs/dbraw/zinc/08/04/50/918080450.db2.gz FLURELHXTMSERK-UHFFFAOYSA-N 1 1 311.390 -1.080 20 0 DAADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001351550994 918094013 /nfs/dbraw/zinc/09/40/13/918094013.db2.gz JXWOSLUQXOTJSY-DTWKUNHWSA-N 1 1 307.372 -2.360 20 0 DAADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001351550993 918094404 /nfs/dbraw/zinc/09/44/04/918094404.db2.gz JXWOSLUQXOTJSY-BDAKNGLRSA-N 1 1 307.372 -2.360 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001351509730 918094948 /nfs/dbraw/zinc/09/49/48/918094948.db2.gz LGCNRTXRTUQKSH-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CN1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](C)CC1 ZINC001351841383 918108798 /nfs/dbraw/zinc/10/87/98/918108798.db2.gz DICYWQKDOVRSST-UHFFFAOYSA-N 1 1 309.370 -1.345 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)CC3)CC[C@@H]21 ZINC001351836366 918109967 /nfs/dbraw/zinc/10/99/67/918109967.db2.gz PKKDGDPKVPXSLC-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(CCCNC(=O)C(N)=O)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001351873706 918112682 /nfs/dbraw/zinc/11/26/82/918112682.db2.gz VFLFBKFLDDHVLT-NSHDSACASA-N 1 1 324.385 -1.737 20 0 DAADMO C[N@H+]1CC=C(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001352043186 918114846 /nfs/dbraw/zinc/11/48/46/918114846.db2.gz RFFQZKAYXKFSKX-JTQLQIEISA-N 1 1 301.368 -1.722 20 0 DAADMO C[N@@H+]1CC=C(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001352043186 918114857 /nfs/dbraw/zinc/11/48/57/918114857.db2.gz RFFQZKAYXKFSKX-JTQLQIEISA-N 1 1 301.368 -1.722 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001352274846 918118226 /nfs/dbraw/zinc/11/82/26/918118226.db2.gz RNDFJSLWQOYBND-BETUJISGSA-N 1 1 311.382 -1.070 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1cc(CO)nn1 ZINC001352209818 918118612 /nfs/dbraw/zinc/11/86/12/918118612.db2.gz QLPJPLVJUNZKAP-DGCLKSJQSA-N 1 1 308.386 -1.335 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001352797685 918129185 /nfs/dbraw/zinc/12/91/85/918129185.db2.gz LCYSQSNHVRSVPX-KGLIPLIRSA-N 1 1 324.425 -1.006 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001352797685 918129196 /nfs/dbraw/zinc/12/91/96/918129196.db2.gz LCYSQSNHVRSVPX-KGLIPLIRSA-N 1 1 324.425 -1.006 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]2C1=O ZINC001352879535 918134596 /nfs/dbraw/zinc/13/45/96/918134596.db2.gz WQKZRTGMPGTAAD-AOOOYVTPSA-N 1 1 306.322 -1.869 20 0 DAADMO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001353184539 918147446 /nfs/dbraw/zinc/14/74/46/918147446.db2.gz VNNWOTMYPFMEHJ-QNWHQSFQSA-N 1 1 310.398 -1.493 20 0 DAADMO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001353184539 918147451 /nfs/dbraw/zinc/14/74/51/918147451.db2.gz VNNWOTMYPFMEHJ-QNWHQSFQSA-N 1 1 310.398 -1.493 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001353586619 918154518 /nfs/dbraw/zinc/15/45/18/918154518.db2.gz FEUNHHZVBGQFHP-DCAQKATOSA-N 1 1 324.381 -1.654 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001353586619 918154528 /nfs/dbraw/zinc/15/45/28/918154528.db2.gz FEUNHHZVBGQFHP-DCAQKATOSA-N 1 1 324.381 -1.654 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001353688518 918156659 /nfs/dbraw/zinc/15/66/59/918156659.db2.gz XBYMSZRPIULBNR-FQUUOJAGSA-N 1 1 324.425 -1.422 20 0 DAADMO CO[C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001353685053 918157822 /nfs/dbraw/zinc/15/78/22/918157822.db2.gz KDUYEWNNHCCRLV-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317819 918174437 /nfs/dbraw/zinc/17/44/37/918174437.db2.gz DQNYNTRRPZKCPO-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317819 918174444 /nfs/dbraw/zinc/17/44/44/918174444.db2.gz DQNYNTRRPZKCPO-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO COc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1C(N)=O ZINC001354435602 918176579 /nfs/dbraw/zinc/17/65/79/918176579.db2.gz UJFLECSNHCWYME-QMMMGPOBSA-N 1 1 321.337 -1.052 20 0 DAADMO [NH3+]CCNCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001354633272 918184261 /nfs/dbraw/zinc/18/42/61/918184261.db2.gz ZOOLFCJZXMNTCZ-AWEZNQCLSA-N 1 1 313.446 -1.553 20 0 DAADMO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354751802 918189613 /nfs/dbraw/zinc/18/96/13/918189613.db2.gz QOVGHKHYQPJXIF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354751802 918189626 /nfs/dbraw/zinc/18/96/26/918189626.db2.gz QOVGHKHYQPJXIF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001356120273 918218027 /nfs/dbraw/zinc/21/80/27/918218027.db2.gz VJLLIJNDBWGAHP-VIFPVBQESA-N 1 1 303.384 -1.500 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001356120273 918218042 /nfs/dbraw/zinc/21/80/42/918218042.db2.gz VJLLIJNDBWGAHP-VIFPVBQESA-N 1 1 303.384 -1.500 20 0 DAADMO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001356130574 918220541 /nfs/dbraw/zinc/22/05/41/918220541.db2.gz ZABXQGJGOGPXKT-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO CCS(=O)(=O)CC[NH2+]CC(=O)N1CCC[C@@H]1C(=O)NC ZINC001356586676 918231675 /nfs/dbraw/zinc/23/16/75/918231675.db2.gz VJGKXEQCFUJIAH-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891975 918262022 /nfs/dbraw/zinc/26/20/22/918262022.db2.gz GSIWWPDMKYIQMR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891975 918262029 /nfs/dbraw/zinc/26/20/29/918262029.db2.gz GSIWWPDMKYIQMR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](CNC(=O)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001356918778 918262488 /nfs/dbraw/zinc/26/24/88/918262488.db2.gz JZWZKWLVCAIVOV-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO Cn1ccc(=O)n(CCC[NH2+]C[C@H](O)CN2CCCC2)c1=O ZINC001357165115 918273281 /nfs/dbraw/zinc/27/32/81/918273281.db2.gz CJWQEGVTQDLJRX-ZDUSSCGKSA-N 1 1 310.398 -1.017 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001357377014 918281138 /nfs/dbraw/zinc/28/11/38/918281138.db2.gz VCIVBFJLUUZXFL-CYBMUJFWSA-N 1 1 324.381 -1.131 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357398685 918282658 /nfs/dbraw/zinc/28/26/58/918282658.db2.gz CZCAFLVMOOVKRQ-NXEZZACHSA-N 1 1 300.359 -2.061 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357398699 918284177 /nfs/dbraw/zinc/28/41/77/918284177.db2.gz CZCAFLVMOOVKRQ-UWVGGRQHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357400534 918285311 /nfs/dbraw/zinc/28/53/11/918285311.db2.gz UFWNXXMYOUYZAF-GHMZBOCLSA-N 1 1 314.386 -1.671 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC001357452638 918293487 /nfs/dbraw/zinc/29/34/87/918293487.db2.gz HBJDNYXZYCBLND-DGCLKSJQSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC001357452642 918294464 /nfs/dbraw/zinc/29/44/64/918294464.db2.gz HBJDNYXZYCBLND-YPMHNXCESA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC001357452632 918294591 /nfs/dbraw/zinc/29/45/91/918294591.db2.gz HBJDNYXZYCBLND-AAEUAGOBSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001357698434 918303014 /nfs/dbraw/zinc/30/30/14/918303014.db2.gz ZBBGPIALHAEGBF-HMDXOVGESA-N 1 1 323.357 -2.057 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001357698434 918303035 /nfs/dbraw/zinc/30/30/35/918303035.db2.gz ZBBGPIALHAEGBF-HMDXOVGESA-N 1 1 323.357 -2.057 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)Cn2nccn2)C1 ZINC001357695404 918303282 /nfs/dbraw/zinc/30/32/82/918303282.db2.gz HRVPJLYGCJVBSG-DLGQBQFBSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)Cn2nccn2)C1 ZINC001357695404 918303297 /nfs/dbraw/zinc/30/32/97/918303297.db2.gz HRVPJLYGCJVBSG-DLGQBQFBSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696377 918304060 /nfs/dbraw/zinc/30/40/60/918304060.db2.gz OCGFWQBVEMTZRG-KXMPLOMGSA-N 1 1 322.369 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696377 918304078 /nfs/dbraw/zinc/30/40/78/918304078.db2.gz OCGFWQBVEMTZRG-KXMPLOMGSA-N 1 1 322.369 -1.534 20 0 DAADMO O=C(C[NH+]1CCC(CO)CC1)N(CCO)CCOCCO ZINC001358438335 918320617 /nfs/dbraw/zinc/32/06/17/918320617.db2.gz YNWSBTKHCCHZLM-UHFFFAOYSA-N 1 1 304.387 -1.480 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001358635666 918336590 /nfs/dbraw/zinc/33/65/90/918336590.db2.gz KHFQAVZUBWCUJA-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001358663816 918340904 /nfs/dbraw/zinc/34/09/04/918340904.db2.gz UNLIXLSAZULXOB-MNOVXSKESA-N 1 1 308.382 -1.161 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](O)c2cnn(C)c2)CC1 ZINC001361626676 918385903 /nfs/dbraw/zinc/38/59/03/918385903.db2.gz JFMBQXICPGCXKD-ZDUSSCGKSA-N 1 1 309.370 -1.220 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001361800486 918407776 /nfs/dbraw/zinc/40/77/76/918407776.db2.gz MISLGQGMYZZJNX-NSHDSACASA-N 1 1 323.401 -1.481 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001361836147 918415584 /nfs/dbraw/zinc/41/55/84/918415584.db2.gz ZSSHGSRJZBXRPL-MRVPVSSYSA-N 1 1 311.342 -1.128 20 0 DAADMO CC[NH+]1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001361876900 918417740 /nfs/dbraw/zinc/41/77/40/918417740.db2.gz HMAOUNYQIJTQPF-UHFFFAOYSA-N 1 1 323.353 -1.398 20 0 DAADMO C[C@@H](C(=O)N1CCC(S(N)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC001361912828 918424728 /nfs/dbraw/zinc/42/47/28/918424728.db2.gz PTSUWRLPQRCJCH-NSHDSACASA-N 1 1 318.443 -1.098 20 0 DAADMO CO[C@@]1(C(=O)NCC2(O)CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC001361943973 918430290 /nfs/dbraw/zinc/43/02/90/918430290.db2.gz LIHNAYQMORXFGC-ZDUSSCGKSA-N 1 1 320.411 -1.237 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001361963007 918432597 /nfs/dbraw/zinc/43/25/97/918432597.db2.gz TXFXCSGMBDXGBN-STQMWFEESA-N 1 1 311.386 -1.788 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001361983606 918436975 /nfs/dbraw/zinc/43/69/75/918436975.db2.gz UUKNJJIHUCDADC-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001361983606 918436997 /nfs/dbraw/zinc/43/69/97/918436997.db2.gz UUKNJJIHUCDADC-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001361983606 918437009 /nfs/dbraw/zinc/43/70/09/918437009.db2.gz UUKNJJIHUCDADC-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001362041775 918445305 /nfs/dbraw/zinc/44/53/05/918445305.db2.gz UNAOPRKKNBVABM-SKDRFNHKSA-N 1 1 305.400 -1.279 20 0 DAADMO Cn1nnc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001362066295 918449413 /nfs/dbraw/zinc/44/94/13/918449413.db2.gz WFZMJRAEUOSNGD-SECBINFHSA-N 1 1 316.387 -1.599 20 0 DAADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362066058 918451347 /nfs/dbraw/zinc/45/13/47/918451347.db2.gz LWERQZZZXTXAAO-VHSXEESVSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362066173 918451488 /nfs/dbraw/zinc/45/14/88/918451488.db2.gz LWERQZZZXTXAAO-ZJUUUORDSA-N 1 1 316.358 -1.889 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001362086227 918453240 /nfs/dbraw/zinc/45/32/40/918453240.db2.gz IKIXKWMUMAHIKN-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001362086227 918453254 /nfs/dbraw/zinc/45/32/54/918453254.db2.gz IKIXKWMUMAHIKN-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001362077907 918454337 /nfs/dbraw/zinc/45/43/37/918454337.db2.gz LFCRXZNZOTZSQG-VXGBXAGGSA-N 1 1 314.386 -1.271 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001362104289 918458247 /nfs/dbraw/zinc/45/82/47/918458247.db2.gz LIWFEGXESOXIEZ-MNOVXSKESA-N 1 1 304.416 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001362104248 918458937 /nfs/dbraw/zinc/45/89/37/918458937.db2.gz LIWFEGXESOXIEZ-GHMZBOCLSA-N 1 1 304.416 -1.017 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CCC(=O)NC1=O ZINC001362135023 918464344 /nfs/dbraw/zinc/46/43/44/918464344.db2.gz OTZNPYOIOQQKOF-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001362144691 918466281 /nfs/dbraw/zinc/46/62/81/918466281.db2.gz DPDXEJKJIKIWST-QMMMGPOBSA-N 1 1 316.387 -1.967 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001362144691 918466287 /nfs/dbraw/zinc/46/62/87/918466287.db2.gz DPDXEJKJIKIWST-QMMMGPOBSA-N 1 1 316.387 -1.967 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001362145448 918466518 /nfs/dbraw/zinc/46/65/18/918466518.db2.gz IJJZMTAZSRQCJH-LLVKDONJSA-N 1 1 306.432 -1.370 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001362178126 918472110 /nfs/dbraw/zinc/47/21/10/918472110.db2.gz NGTKOLJWULMINX-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001362188412 918475322 /nfs/dbraw/zinc/47/53/22/918475322.db2.gz VHNJQOKMVKKUSP-UWVGGRQHSA-N 1 1 304.416 -1.442 20 0 DAADMO C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001362188404 918475895 /nfs/dbraw/zinc/47/58/95/918475895.db2.gz VHNJQOKMVKKUSP-NXEZZACHSA-N 1 1 304.416 -1.442 20 0 DAADMO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N(CC(N)=O)CC(N)=O)n[nH]1 ZINC001362219071 918477970 /nfs/dbraw/zinc/47/79/70/918477970.db2.gz JFRQECUAASPODY-SNVBAGLBSA-N 1 1 308.342 -1.411 20 0 DAADMO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N(CC(N)=O)CC(N)=O)n[nH]1 ZINC001362219071 918477981 /nfs/dbraw/zinc/47/79/81/918477981.db2.gz JFRQECUAASPODY-SNVBAGLBSA-N 1 1 308.342 -1.411 20 0 DAADMO CCC[C@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@H+]1CCOC ZINC001362269691 918490371 /nfs/dbraw/zinc/49/03/71/918490371.db2.gz WHYONTHGONCKGZ-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO Nc1ncn(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001362279617 918490529 /nfs/dbraw/zinc/49/05/29/918490529.db2.gz VSEPCYQWWAGULU-LBPRGKRZSA-N 1 1 323.401 -1.617 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](CO)NC(N)=O ZINC001362367918 918506124 /nfs/dbraw/zinc/50/61/24/918506124.db2.gz NCYDYXLUSGKODO-WDEREUQCSA-N 1 1 301.391 -1.842 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](CO)NC(N)=O ZINC001362367911 918506864 /nfs/dbraw/zinc/50/68/64/918506864.db2.gz NCYDYXLUSGKODO-QWRGUYRKSA-N 1 1 301.391 -1.842 20 0 DAADMO C[C@H](C(=O)NCC1CN(S(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC001362372987 918508998 /nfs/dbraw/zinc/50/89/98/918508998.db2.gz GALHMRFKSOFSLL-LLVKDONJSA-N 1 1 318.443 -1.370 20 0 DAADMO C[C@@H](C(=O)NCC1CN(S(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC001362372991 918509247 /nfs/dbraw/zinc/50/92/47/918509247.db2.gz GALHMRFKSOFSLL-NSHDSACASA-N 1 1 318.443 -1.370 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362446063 918521038 /nfs/dbraw/zinc/52/10/38/918521038.db2.gz CAIPBPBPENRLQG-NSHDSACASA-N 1 1 302.375 -1.679 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001362465872 918528285 /nfs/dbraw/zinc/52/82/85/918528285.db2.gz HLVKOWWVBIXSGO-UHFFFAOYSA-N 1 1 318.341 -1.541 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362521832 918538724 /nfs/dbraw/zinc/53/87/24/918538724.db2.gz LOSOYSHEGNITJG-NEPJUHHUSA-N 1 1 309.370 -1.001 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)C(N)=O ZINC001362570785 918552930 /nfs/dbraw/zinc/55/29/30/918552930.db2.gz VZJDUQRAEZMUML-NHCYSSNCSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001362616946 918562755 /nfs/dbraw/zinc/56/27/55/918562755.db2.gz KZJKGUFQGNDPNG-CABZTGNLSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC001362616111 918562808 /nfs/dbraw/zinc/56/28/08/918562808.db2.gz HCZLXPAJQWUGTG-GFCCVEGCSA-N 1 1 314.367 -1.475 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001362721003 918586771 /nfs/dbraw/zinc/58/67/71/918586771.db2.gz HIJZWSTUTCXTCG-VIFPVBQESA-N 1 1 323.353 -1.352 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001362716840 918587555 /nfs/dbraw/zinc/58/75/55/918587555.db2.gz DUHBCDQXKKVLMB-UHFFFAOYSA-N 1 1 322.431 -1.716 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cnc(N)n2)C[C@@H]1C ZINC001362745051 918596228 /nfs/dbraw/zinc/59/62/28/918596228.db2.gz YYYIAHONQMAYSB-JTQLQIEISA-N 1 1 310.358 -1.044 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cnc(N)n2)C[C@@H]1C ZINC001362745051 918596239 /nfs/dbraw/zinc/59/62/39/918596239.db2.gz YYYIAHONQMAYSB-JTQLQIEISA-N 1 1 310.358 -1.044 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)CCCS(N)(=O)=O)C2)CC1 ZINC001362752552 918599480 /nfs/dbraw/zinc/59/94/80/918599480.db2.gz NCYIPOOWIPJLCS-UHFFFAOYSA-N 1 1 318.443 -1.239 20 0 DAADMO O=C(Cc1nc2ncccn2n1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362771397 918601354 /nfs/dbraw/zinc/60/13/54/918601354.db2.gz CVQBTPAHVWEENZ-CYBMUJFWSA-N 1 1 306.326 -1.866 20 0 DAADMO Cn1cc(C2=NO[C@H](C(=O)NC[C@]3(CO)COCC[NH2+]3)C2)cn1 ZINC001362773284 918601539 /nfs/dbraw/zinc/60/15/39/918601539.db2.gz IYLGOZFDTYSDIT-JSGCOSHPSA-N 1 1 323.353 -1.620 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1CC2(C1)CS(=O)(=O)C2 ZINC001362777197 918603713 /nfs/dbraw/zinc/60/37/13/918603713.db2.gz PVKVXNKFFNJLCK-CYBMUJFWSA-N 1 1 318.395 -1.722 20 0 DAADMO C[C@]1(CC(=O)NC[C@]2(CO)COCC[NH2+]2)CCS(=O)(=O)N1 ZINC001362775083 918605377 /nfs/dbraw/zinc/60/53/77/918605377.db2.gz MTAPRMTYPNRBDX-NEPJUHHUSA-N 1 1 321.399 -2.075 20 0 DAADMO CCN1CC[NH+](CC(C)(C)NC(=O)Cn2nnc(N)n2)CC1 ZINC001362789625 918607422 /nfs/dbraw/zinc/60/74/22/918607422.db2.gz RAPFMWPWVUSFSH-UHFFFAOYSA-N 1 1 310.406 -1.212 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001362790122 918607489 /nfs/dbraw/zinc/60/74/89/918607489.db2.gz NJIDNQLPDJQMSM-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001362830459 918619544 /nfs/dbraw/zinc/61/95/44/918619544.db2.gz NXRPBYAHAHHFBP-NWDGAFQWSA-N 1 1 312.370 -2.094 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362848451 918623997 /nfs/dbraw/zinc/62/39/97/918623997.db2.gz NWKHFIKUYYEREU-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362848384 918624601 /nfs/dbraw/zinc/62/46/01/918624601.db2.gz NWKHFIKUYYEREU-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362844495 918624639 /nfs/dbraw/zinc/62/46/39/918624639.db2.gz MMDJKZNWVUXGJV-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362844484 918624856 /nfs/dbraw/zinc/62/48/56/918624856.db2.gz MMDJKZNWVUXGJV-GHMZBOCLSA-N 1 1 310.354 -1.404 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362848440 918625454 /nfs/dbraw/zinc/62/54/54/918625454.db2.gz NWKHFIKUYYEREU-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001362863543 918630308 /nfs/dbraw/zinc/63/03/08/918630308.db2.gz WLUARTCBAGZRRV-UHFFFAOYSA-N 1 1 311.342 -1.330 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H](O)c2cnc[nH]2)CC1=O ZINC001362902462 918637167 /nfs/dbraw/zinc/63/71/67/918637167.db2.gz SDMFLUMXHWWXBR-ZYHUDNBSSA-N 1 1 309.370 -1.031 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001362947266 918651505 /nfs/dbraw/zinc/65/15/05/918651505.db2.gz WREYCKOZRMXVDO-QMMMGPOBSA-N 1 1 309.326 -1.742 20 0 DAADMO CNS(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)CCO)CC1 ZINC001362961573 918657567 /nfs/dbraw/zinc/65/75/67/918657567.db2.gz ZDCXFQRUHHCGQJ-UHFFFAOYSA-N 1 1 322.431 -1.797 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001363062388 918682135 /nfs/dbraw/zinc/68/21/35/918682135.db2.gz AFGQFIBFSBVGNC-VIFPVBQESA-N 1 1 324.337 -1.337 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001363062387 918682571 /nfs/dbraw/zinc/68/25/71/918682571.db2.gz AFGQFIBFSBVGNC-SECBINFHSA-N 1 1 324.337 -1.337 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001363079323 918687087 /nfs/dbraw/zinc/68/70/87/918687087.db2.gz MQNLYWUTSBJXII-UHFFFAOYSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084836 918689788 /nfs/dbraw/zinc/68/97/88/918689788.db2.gz UUYFYZWBFBXXAS-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084836 918689790 /nfs/dbraw/zinc/68/97/90/918689790.db2.gz UUYFYZWBFBXXAS-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001363092060 918690855 /nfs/dbraw/zinc/69/08/55/918690855.db2.gz NXSSPJUVMRQDIG-UWVGGRQHSA-N 1 1 324.341 -1.817 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001363098105 918692553 /nfs/dbraw/zinc/69/25/53/918692553.db2.gz BTRUSJXUVHMZSZ-WDEREUQCSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001363098102 918693197 /nfs/dbraw/zinc/69/31/97/918693197.db2.gz BTRUSJXUVHMZSZ-MNOVXSKESA-N 1 1 300.359 -1.927 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCc2nnc3n2CCOC3)C1 ZINC001363111911 918696973 /nfs/dbraw/zinc/69/69/73/918696973.db2.gz PXRTXFFMQHGYGT-UHFFFAOYSA-N 1 1 308.386 -1.082 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001363153261 918708915 /nfs/dbraw/zinc/70/89/15/918708915.db2.gz BHHQBGFRSXHZLC-YUMQZZPRSA-N 1 1 309.326 -1.249 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001363153242 918709485 /nfs/dbraw/zinc/70/94/85/918709485.db2.gz BHHQBGFRSXHZLC-HTQZYQBOSA-N 1 1 309.326 -1.249 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001363171153 918711595 /nfs/dbraw/zinc/71/15/95/918711595.db2.gz BFKSFKSZGPBJDT-NSHDSACASA-N 1 1 314.386 -1.815 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccnc2[nH]c(=O)[nH]c21 ZINC001363169417 918711846 /nfs/dbraw/zinc/71/18/46/918711846.db2.gz AJPYTUZAVQUPKF-CYBMUJFWSA-N 1 1 307.310 -1.256 20 0 DAADMO CC(C)(C(=O)NC[C@]1(CO)COCC[NH2+]1)S(=O)(=O)C1CC1 ZINC001363177046 918713442 /nfs/dbraw/zinc/71/34/42/918713442.db2.gz OGLMTUQUHACSHR-ZDUSSCGKSA-N 1 1 320.411 -1.191 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC001363178144 918713961 /nfs/dbraw/zinc/71/39/61/918713961.db2.gz QDIHRGHJNNWNMR-FZMZJTMJSA-N 1 1 309.370 -1.384 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC001363178156 918714585 /nfs/dbraw/zinc/71/45/85/918714585.db2.gz QDIHRGHJNNWNMR-SMDDNHRTSA-N 1 1 309.370 -1.384 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363175295 918714789 /nfs/dbraw/zinc/71/47/89/918714789.db2.gz NBNXXCHFQMRTLW-LBPRGKRZSA-N 1 1 321.399 -2.816 20 0 DAADMO C[C@@H](C(=O)NC1CCN(CC(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001363182086 918714890 /nfs/dbraw/zinc/71/48/90/918714890.db2.gz XFZXTIPUWDTLTI-LBPRGKRZSA-N 1 1 311.430 -1.312 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC001363215094 918725343 /nfs/dbraw/zinc/72/53/43/918725343.db2.gz LNPMWRUBWNKWJZ-LBPRGKRZSA-N 1 1 321.443 -1.442 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001363229719 918727815 /nfs/dbraw/zinc/72/78/15/918727815.db2.gz YNEDPLJKJQSPLV-VIFPVBQESA-N 1 1 310.358 -1.662 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001363246925 918732868 /nfs/dbraw/zinc/73/28/68/918732868.db2.gz FLLZQDHNSQPGBG-LBPRGKRZSA-N 1 1 306.432 -1.477 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001363269387 918742365 /nfs/dbraw/zinc/74/23/65/918742365.db2.gz IIPCDKGHSNSQHC-UHFFFAOYSA-N 1 1 314.367 -1.260 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363274562 918743793 /nfs/dbraw/zinc/74/37/93/918743793.db2.gz PBYXBDGYVJDNQC-LLVKDONJSA-N 1 1 307.372 -2.511 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(-n2cnnn2)cc1 ZINC001363275876 918746635 /nfs/dbraw/zinc/74/66/35/918746635.db2.gz YWJTZCWLPLFINF-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO NC(=O)C[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)C1CCOCC1 ZINC001363291451 918749042 /nfs/dbraw/zinc/74/90/42/918749042.db2.gz ZOQCRWOHAZSPHM-GXTWGEPZSA-N 1 1 302.371 -1.145 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001363292514 918751496 /nfs/dbraw/zinc/75/14/96/918751496.db2.gz HITJNCJFZOAGHB-VHSXEESVSA-N 1 1 302.327 -1.262 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001363292514 918751505 /nfs/dbraw/zinc/75/15/05/918751505.db2.gz HITJNCJFZOAGHB-VHSXEESVSA-N 1 1 302.327 -1.262 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363302626 918754144 /nfs/dbraw/zinc/75/41/44/918754144.db2.gz KCLUQALASUJXRJ-ZRUFSTJUSA-N 1 1 303.359 -2.083 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363302625 918754556 /nfs/dbraw/zinc/75/45/56/918754556.db2.gz KCLUQALASUJXRJ-XWLWVQCSSA-N 1 1 303.359 -2.083 20 0 DAADMO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)[NH+]1CCSCC1 ZINC001363325830 918759814 /nfs/dbraw/zinc/75/98/14/918759814.db2.gz YULMADOVXCGCDN-BBBLOLIVSA-N 1 1 314.411 -1.531 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001363339637 918764854 /nfs/dbraw/zinc/76/48/54/918764854.db2.gz YVVUNWIGVRTZKG-LBPRGKRZSA-N 1 1 316.427 -1.616 20 0 DAADMO O=C(C[NH+]1CCC(CO)CC1)N[C@@H](CO)CC1OCCO1 ZINC001363354486 918768809 /nfs/dbraw/zinc/76/88/09/918768809.db2.gz HFLVIPLJERTPLU-GFCCVEGCSA-N 1 1 302.371 -1.069 20 0 DAADMO Cn1cnnc1COCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363371221 918770553 /nfs/dbraw/zinc/77/05/53/918770553.db2.gz KVRYIITZLRFNGZ-NWDGAFQWSA-N 1 1 309.370 -1.001 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363378570 918771112 /nfs/dbraw/zinc/77/11/12/918771112.db2.gz YWWWKCXKELZCPE-LBPRGKRZSA-N 1 1 322.431 -1.479 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001363389520 918773243 /nfs/dbraw/zinc/77/32/43/918773243.db2.gz AZYCCFJSIMXSPE-QWRGUYRKSA-N 1 1 324.381 -1.389 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)C1 ZINC001363404091 918777560 /nfs/dbraw/zinc/77/75/60/918777560.db2.gz KZAHQGROYTYUDR-UHFFFAOYSA-N 1 1 307.358 -2.165 20 0 DAADMO Cn1ccn2c(CCNC(=O)[C@@H]3C[N@H+](C)CCO3)nnc2c1=O ZINC001363432663 918785316 /nfs/dbraw/zinc/78/53/16/918785316.db2.gz ZRCRTWWBYXLXMI-JTQLQIEISA-N 1 1 320.353 -1.583 20 0 DAADMO Cn1ccn2c(CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)nnc2c1=O ZINC001363432663 918785330 /nfs/dbraw/zinc/78/53/30/918785330.db2.gz ZRCRTWWBYXLXMI-JTQLQIEISA-N 1 1 320.353 -1.583 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(CC(N)=O)C(=O)C1)[C@@H]1CCC[C@H]1O ZINC001363435111 918785828 /nfs/dbraw/zinc/78/58/28/918785828.db2.gz YCYOIKKHVVFEHK-GHMZBOCLSA-N 1 1 312.370 -2.012 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCS(=O)(=O)N(C)C ZINC001363438201 918786659 /nfs/dbraw/zinc/78/66/59/918786659.db2.gz BFBWPOKOVDNMCP-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCS(=O)(=O)N(C)C ZINC001363438201 918786674 /nfs/dbraw/zinc/78/66/74/918786674.db2.gz BFBWPOKOVDNMCP-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO O=C(c1cn(C(F)(F)CO)nn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001363469719 918792567 /nfs/dbraw/zinc/79/25/67/918792567.db2.gz ICNKYYNFCVNMOB-SECBINFHSA-N 1 1 317.296 -1.289 20 0 DAADMO O=C(c1cn(C(F)(F)CO)nn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001363469719 918792584 /nfs/dbraw/zinc/79/25/84/918792584.db2.gz ICNKYYNFCVNMOB-SECBINFHSA-N 1 1 317.296 -1.289 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001363495810 918804566 /nfs/dbraw/zinc/80/45/66/918804566.db2.gz LVDAKFATCCOJOH-UHFFFAOYSA-N 1 1 304.372 -2.127 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001363503212 918807475 /nfs/dbraw/zinc/80/74/75/918807475.db2.gz YRKNPTDJORMZKV-HNNXBMFYSA-N 1 1 319.361 -1.318 20 0 DAADMO C[N@H+](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)[C@@H]1CCC[C@H]1O ZINC001363509757 918809407 /nfs/dbraw/zinc/80/94/07/918809407.db2.gz BGYDAPFIMRYJNT-GMTAPVOTSA-N 1 1 310.358 -1.055 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)[C@@H]1CCC[C@H]1O ZINC001363509757 918809417 /nfs/dbraw/zinc/80/94/17/918809417.db2.gz BGYDAPFIMRYJNT-GMTAPVOTSA-N 1 1 310.358 -1.055 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001363516367 918811140 /nfs/dbraw/zinc/81/11/40/918811140.db2.gz FWTYUFNGWBVDPY-QMTHXVAHSA-N 1 1 315.370 -1.373 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001363522870 918811921 /nfs/dbraw/zinc/81/19/21/918811921.db2.gz CPOJZLBIZCDKOV-GFCCVEGCSA-N 1 1 306.384 -1.722 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC001363527560 918815048 /nfs/dbraw/zinc/81/50/48/918815048.db2.gz SHOBYWHJFIJWSU-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO C[N@@H+](CC(=O)NCC1(S(N)(=O)=O)CC1)[C@@H]1CCC[C@H]1O ZINC001363525130 918815137 /nfs/dbraw/zinc/81/51/37/918815137.db2.gz DNBYPXFAZZIVDE-NXEZZACHSA-N 1 1 305.400 -1.231 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@]3(CO)COCC[NH2+]3)nn2c1 ZINC001363525558 918815383 /nfs/dbraw/zinc/81/53/83/918815383.db2.gz NJDVDPVVZNEUDI-ZDUSSCGKSA-N 1 1 306.326 -1.487 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC001363524989 918817032 /nfs/dbraw/zinc/81/70/32/918817032.db2.gz UGINCQAPLBAMEN-WCBMZHEXSA-N 1 1 301.372 -1.261 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)nc1 ZINC001363531728 918819738 /nfs/dbraw/zinc/81/97/38/918819738.db2.gz YNDKTBYFIJJTNN-AWEZNQCLSA-N 1 1 309.322 -1.051 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)CO)CC1 ZINC001363591579 918838434 /nfs/dbraw/zinc/83/84/34/918838434.db2.gz RFLFLIYBXJIBIK-UHFFFAOYSA-N 1 1 314.386 -1.893 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)CO)CC1 ZINC001363591579 918838450 /nfs/dbraw/zinc/83/84/50/918838450.db2.gz RFLFLIYBXJIBIK-UHFFFAOYSA-N 1 1 314.386 -1.893 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(CO)COCCN1)[C@@H]1CCC[C@H]1O ZINC001363604266 918841433 /nfs/dbraw/zinc/84/14/33/918841433.db2.gz UAPKOTUUUITSAY-BZPMIXESSA-N 1 1 301.387 -1.701 20 0 DAADMO COC(=O)N(C)CCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363598219 918841839 /nfs/dbraw/zinc/84/18/39/918841839.db2.gz LGMKBQAGCFTQPQ-CYBMUJFWSA-N 1 1 303.359 -1.068 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1C ZINC001363608395 918842407 /nfs/dbraw/zinc/84/24/07/918842407.db2.gz XWSRVVQCPWZCDW-AWEZNQCLSA-N 1 1 310.354 -1.522 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001363643818 918846166 /nfs/dbraw/zinc/84/61/66/918846166.db2.gz AUMDEGFRRPVMMG-UHFFFAOYSA-N 1 1 305.400 -1.095 20 0 DAADMO Cn1ncc(C(=O)N2CC([NH2+]C3COC3)C2)c1-n1cnnc1 ZINC001363643803 918847937 /nfs/dbraw/zinc/84/79/37/918847937.db2.gz AQTWSJGLXVMXPW-UHFFFAOYSA-N 1 1 303.326 -1.186 20 0 DAADMO O=C(CCC(=O)N1CCC(O)CC1)N1CC([NH2+]C2COC2)C1 ZINC001363651002 918850023 /nfs/dbraw/zinc/85/00/23/918850023.db2.gz RFORTHMMCRSCFK-UHFFFAOYSA-N 1 1 311.382 -1.051 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H](O)CS(C)(=O)=O)no1 ZINC001363672616 918856323 /nfs/dbraw/zinc/85/63/23/918856323.db2.gz VOZDSQAVHGCNFO-QMMMGPOBSA-N 1 1 305.356 -1.129 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccnc3n[nH]nc32)CC1 ZINC001363688513 918858727 /nfs/dbraw/zinc/85/87/27/918858727.db2.gz JGPNMIMLDKYQNH-UHFFFAOYSA-N 1 1 303.326 -1.143 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363694848 918859202 /nfs/dbraw/zinc/85/92/02/918859202.db2.gz TWZZQZCGZJZMTR-OUJBWJOFSA-N 1 1 316.358 -2.643 20 0 DAADMO NC(=O)c1cc(NC[C@]2(CO)COCC[NH2+]2)nc(Cl)n1 ZINC001363733872 918868541 /nfs/dbraw/zinc/86/85/41/918868541.db2.gz AVDQRLUKTDILPD-NSHDSACASA-N 1 1 301.734 -1.008 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001363751825 918871321 /nfs/dbraw/zinc/87/13/21/918871321.db2.gz ODWRCYCOBPYJJF-CHWSQXEVSA-N 1 1 318.443 -1.069 20 0 DAADMO O=C(Cn1nnc2ccccc2c1=O)N1CC([NH2+]C2COC2)C1 ZINC001363770523 918874041 /nfs/dbraw/zinc/87/40/41/918874041.db2.gz YNNZVIVAPOKQED-UHFFFAOYSA-N 1 1 315.333 -1.009 20 0 DAADMO CC1(C)[C@H](NC(=O)[C@@H](CO)NC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001363765491 918874348 /nfs/dbraw/zinc/87/43/48/918874348.db2.gz YLDWCOQDLQAPKQ-MXWKQRLJSA-N 1 1 314.386 -1.369 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC001363780751 918877947 /nfs/dbraw/zinc/87/79/47/918877947.db2.gz LHZLOCWRYGOZIV-LBPRGKRZSA-N 1 1 321.443 -1.442 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001363775685 918878060 /nfs/dbraw/zinc/87/80/60/918878060.db2.gz STGIFZJZHNMCPI-IUODEOHRSA-N 1 1 315.414 -1.230 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363798638 918879368 /nfs/dbraw/zinc/87/93/68/918879368.db2.gz XDERJLRIWFUTMT-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]2N1 ZINC001363797236 918879640 /nfs/dbraw/zinc/87/96/40/918879640.db2.gz OLWHNTRMOKTXRJ-HKUMRIAESA-N 1 1 300.355 -1.522 20 0 DAADMO CNC(=O)[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC001363799842 918879704 /nfs/dbraw/zinc/87/97/04/918879704.db2.gz FKZRTIGBVIDVDJ-SNVBAGLBSA-N 1 1 315.399 -1.234 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC001363819049 918886229 /nfs/dbraw/zinc/88/62/29/918886229.db2.gz MGTOPJISMYCLMM-LSDHHAIUSA-N 1 1 308.334 -1.031 20 0 DAADMO NC(=O)[C@@H]1C[NH+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815006 918889126 /nfs/dbraw/zinc/88/91/26/918889126.db2.gz XMJMEQONNXJYPZ-BWZBUEFSSA-N 1 1 322.287 -1.332 20 0 DAADMO CS(=O)(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001363824404 918892230 /nfs/dbraw/zinc/89/22/30/918892230.db2.gz IZDXBANCMMQZRV-VXGBXAGGSA-N 1 1 322.427 -1.240 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001363839193 918895579 /nfs/dbraw/zinc/89/55/79/918895579.db2.gz WYNSIRYVTFWBRZ-MRVPVSSYSA-N 1 1 305.360 -2.204 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3C[C@H](CO)[C@H](CCO)C3)cc2=O)[nH]1 ZINC001363853994 918896591 /nfs/dbraw/zinc/89/65/91/918896591.db2.gz PSSXCKZRXIQDIO-RKDXNWHRSA-N 1 1 308.342 -1.578 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001363975284 918915821 /nfs/dbraw/zinc/91/58/21/918915821.db2.gz OKJKGKIZSVLKDB-UHFFFAOYSA-N 1 1 317.411 -1.299 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363976922 918919297 /nfs/dbraw/zinc/91/92/97/918919297.db2.gz PKOBMJBIPYCGNS-AXFHLTTASA-N 1 1 305.400 -1.110 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363976922 918919304 /nfs/dbraw/zinc/91/93/04/918919304.db2.gz PKOBMJBIPYCGNS-AXFHLTTASA-N 1 1 305.400 -1.110 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364035929 918933486 /nfs/dbraw/zinc/93/34/86/918933486.db2.gz CUZBFIUEIPEJTD-QMMMGPOBSA-N 1 1 302.356 -1.142 20 0 DAADMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364035929 918933507 /nfs/dbraw/zinc/93/35/07/918933507.db2.gz CUZBFIUEIPEJTD-QMMMGPOBSA-N 1 1 302.356 -1.142 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001364147218 918956342 /nfs/dbraw/zinc/95/63/42/918956342.db2.gz KCTAQVSQARKHPU-AWEZNQCLSA-N 1 1 320.353 -1.119 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001364190053 918957837 /nfs/dbraw/zinc/95/78/37/918957837.db2.gz FFJQPNWNUGLQLQ-CMPLNLGQSA-N 1 1 314.386 -1.809 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001364190065 918958556 /nfs/dbraw/zinc/95/85/56/918958556.db2.gz FFJQPNWNUGLQLQ-JQWIXIFHSA-N 1 1 314.386 -1.809 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001364190071 918958984 /nfs/dbraw/zinc/95/89/84/918958984.db2.gz FFJQPNWNUGLQLQ-PWSUYJOCSA-N 1 1 314.386 -1.809 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ncc[nH]2)CC1 ZINC001364194100 918961216 /nfs/dbraw/zinc/96/12/16/918961216.db2.gz QIPDDDDUMIDVCA-NSHDSACASA-N 1 1 324.385 -1.047 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001364212084 918966276 /nfs/dbraw/zinc/96/62/76/918966276.db2.gz HABNIDGWAMTWSY-NSHDSACASA-N 1 1 322.431 -1.320 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)N(C)CCS(N)(=O)=O)n1C ZINC001364223718 918969773 /nfs/dbraw/zinc/96/97/73/918969773.db2.gz YMEGKNJRUIPNMJ-UHFFFAOYSA-N 1 1 318.403 -1.084 20 0 DAADMO NC(=O)[C@H]1CC[C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)O1 ZINC001364230693 918970106 /nfs/dbraw/zinc/97/01/06/918970106.db2.gz ASMZNSUBIGSGEI-OUAUKWLOSA-N 1 1 300.359 -1.615 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364267319 918978904 /nfs/dbraw/zinc/97/89/04/918978904.db2.gz QZCFXLSXEKQLRR-UWVGGRQHSA-N 1 1 313.358 -1.675 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364267319 918978916 /nfs/dbraw/zinc/97/89/16/918978916.db2.gz QZCFXLSXEKQLRR-UWVGGRQHSA-N 1 1 313.358 -1.675 20 0 DAADMO CS(=O)(=O)NC1CC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001364262735 918979014 /nfs/dbraw/zinc/97/90/14/918979014.db2.gz IPBXUZBYDCJVCC-ILDUYXDCSA-N 1 1 320.415 -1.568 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1nnc2n1CCOC2 ZINC001364310114 918984172 /nfs/dbraw/zinc/98/41/72/918984172.db2.gz BMAGQIFISROTAL-LLVKDONJSA-N 1 1 323.401 -1.147 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+](CCO)CCO)CC1 ZINC001364332576 918990169 /nfs/dbraw/zinc/99/01/69/918990169.db2.gz LKOCAMHJMZITSA-UHFFFAOYSA-N 1 1 323.415 -2.187 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC001364358208 918995852 /nfs/dbraw/zinc/99/58/52/918995852.db2.gz NDRKEXIUUDHMHD-RWMBFGLXSA-N 1 1 319.427 -1.304 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC001364357118 918996906 /nfs/dbraw/zinc/99/69/06/918996906.db2.gz JKOMIEZZKDQKLW-LLVKDONJSA-N 1 1 307.416 -1.832 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC([NH2+]C2COC2)C1 ZINC001364365137 918997813 /nfs/dbraw/zinc/99/78/13/918997813.db2.gz VICYRPMDRZVEIX-UHFFFAOYSA-N 1 1 303.384 -1.389 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001364386836 919006567 /nfs/dbraw/zinc/00/65/67/919006567.db2.gz NAXIHWSKGLDVCX-UTUOFQBUSA-N 1 1 308.400 -1.358 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001364386836 919006575 /nfs/dbraw/zinc/00/65/75/919006575.db2.gz NAXIHWSKGLDVCX-UTUOFQBUSA-N 1 1 308.400 -1.358 20 0 DAADMO CO[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1O ZINC001364423054 919007612 /nfs/dbraw/zinc/00/76/12/919007612.db2.gz BDLRURPNJCJPDR-CHWSQXEVSA-N 1 1 311.382 -1.241 20 0 DAADMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1O ZINC001364423054 919007624 /nfs/dbraw/zinc/00/76/24/919007624.db2.gz BDLRURPNJCJPDR-CHWSQXEVSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001364417647 919008643 /nfs/dbraw/zinc/00/86/43/919008643.db2.gz MRKPXGFZVGINKO-QWHCGFSZSA-N 1 1 311.382 -1.648 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001364414893 919009136 /nfs/dbraw/zinc/00/91/36/919009136.db2.gz KBWIMKGFICRMRZ-NSHDSACASA-N 1 1 323.415 -2.029 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)C1 ZINC001364434477 919010740 /nfs/dbraw/zinc/01/07/40/919010740.db2.gz TVCXVFDSESUGBG-MJBXVCDLSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)C1 ZINC001364434477 919010753 /nfs/dbraw/zinc/01/07/53/919010753.db2.gz TVCXVFDSESUGBG-MJBXVCDLSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)c1nccs1 ZINC001364468901 919014749 /nfs/dbraw/zinc/01/47/49/919014749.db2.gz GYKMWEMPUVWBJN-YUMQZZPRSA-N 1 1 311.367 -1.376 20 0 DAADMO CN(CC(F)(F)F)C(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364470133 919015772 /nfs/dbraw/zinc/01/57/72/919015772.db2.gz QFHLMTYBXOVCET-BQBZGAKWSA-N 1 1 310.276 -1.474 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)[C@H](NC(N)=O)C(C)(C)C)CC1 ZINC001364460965 919015924 /nfs/dbraw/zinc/01/59/24/919015924.db2.gz VQCXHUPUIPCQMD-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnn(C[C@H](O)CO)c1 ZINC001364472134 919017774 /nfs/dbraw/zinc/01/77/74/919017774.db2.gz UFOFBWVTHBIERJ-AAEUAGOBSA-N 1 1 314.342 -2.683 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnn(C[C@H](O)CO)c1 ZINC001364472136 919018979 /nfs/dbraw/zinc/01/89/79/919018979.db2.gz UFOFBWVTHBIERJ-WCQYABFASA-N 1 1 314.342 -2.683 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364470356 919019954 /nfs/dbraw/zinc/01/99/54/919019954.db2.gz BVWRQWWFUAXJQH-JQWIXIFHSA-N 1 1 323.415 -1.973 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001364471921 919020147 /nfs/dbraw/zinc/02/01/47/919020147.db2.gz QTOJHARVHVNAOB-YGRLFVJLSA-N 1 1 323.353 -1.770 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cc(C(N)=O)no1 ZINC001364530642 919028180 /nfs/dbraw/zinc/02/81/80/919028180.db2.gz GGJUOMRZJORMFA-VIFPVBQESA-N 1 1 310.358 -1.182 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001364522476 919029502 /nfs/dbraw/zinc/02/95/02/919029502.db2.gz SXXTVPLWRKZNPB-VXGBXAGGSA-N 1 1 317.386 -1.759 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001364548396 919030027 /nfs/dbraw/zinc/03/00/27/919030027.db2.gz HJGYZXDXFZDIFZ-MNOVXSKESA-N 1 1 308.400 -1.501 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001364536335 919030222 /nfs/dbraw/zinc/03/02/22/919030222.db2.gz XWYYVWAFOJRXEX-WDEREUQCSA-N 1 1 322.431 -2.063 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC001364543323 919031257 /nfs/dbraw/zinc/03/12/57/919031257.db2.gz MFQVEZRZTOHURI-NWDGAFQWSA-N 1 1 312.374 -1.341 20 0 DAADMO C[C@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC[N@H+]1C ZINC001364545572 919031964 /nfs/dbraw/zinc/03/19/64/919031964.db2.gz WRZKZNMCCHDVHC-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC001364543322 919032400 /nfs/dbraw/zinc/03/24/00/919032400.db2.gz MFQVEZRZTOHURI-NEPJUHHUSA-N 1 1 312.374 -1.341 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)nn1 ZINC001364619944 919041048 /nfs/dbraw/zinc/04/10/48/919041048.db2.gz PTSNPULWFYLRAE-LBPRGKRZSA-N 1 1 310.314 -1.926 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H](CO)CC2OCCO2)C1 ZINC001364656770 919044355 /nfs/dbraw/zinc/04/43/55/919044355.db2.gz RPDMNORRZVOJMG-GFCCVEGCSA-N 1 1 301.387 -1.280 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(=O)n1C ZINC001364639207 919045393 /nfs/dbraw/zinc/04/53/93/919045393.db2.gz IEKGCVKDFLRPBF-NWDGAFQWSA-N 1 1 309.370 -1.442 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nnc2C1=O ZINC001364682625 919050678 /nfs/dbraw/zinc/05/06/78/919050678.db2.gz PXFXXPMEXJBJJP-VIFPVBQESA-N 1 1 308.342 -1.690 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nnc2C1=O ZINC001364682625 919050692 /nfs/dbraw/zinc/05/06/92/919050692.db2.gz PXFXXPMEXJBJJP-VIFPVBQESA-N 1 1 308.342 -1.690 20 0 DAADMO CNC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697104 919051671 /nfs/dbraw/zinc/05/16/71/919051671.db2.gz YPTXJFWEIKHYBN-VXGBXAGGSA-N 1 1 302.371 -1.274 20 0 DAADMO CNC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697104 919051684 /nfs/dbraw/zinc/05/16/84/919051684.db2.gz YPTXJFWEIKHYBN-VXGBXAGGSA-N 1 1 302.371 -1.274 20 0 DAADMO CNS(=O)(=O)N1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC001364728797 919055966 /nfs/dbraw/zinc/05/59/66/919055966.db2.gz KKRURTRLKYWYSK-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO CNS(=O)(=O)N1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001364728810 919056758 /nfs/dbraw/zinc/05/67/58/919056758.db2.gz KKRURTRLKYWYSK-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO NC(=O)Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)nn1 ZINC001364729538 919057847 /nfs/dbraw/zinc/05/78/47/919057847.db2.gz SUOOWOAPZAWSMA-LLVKDONJSA-N 1 1 322.369 -1.774 20 0 DAADMO NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759473 919063254 /nfs/dbraw/zinc/06/32/54/919063254.db2.gz YXRYGXZDJCJVDM-OUAUKWLOSA-N 1 1 308.313 -1.129 20 0 DAADMO NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759473 919063267 /nfs/dbraw/zinc/06/32/67/919063267.db2.gz YXRYGXZDJCJVDM-OUAUKWLOSA-N 1 1 308.313 -1.129 20 0 DAADMO COC(=O)[C@]1(O)CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364787718 919068003 /nfs/dbraw/zinc/06/80/03/919068003.db2.gz ZBZHQMKEASCDQT-LBPRGKRZSA-N 1 1 307.368 -1.464 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364787718 919068024 /nfs/dbraw/zinc/06/80/24/919068024.db2.gz ZBZHQMKEASCDQT-LBPRGKRZSA-N 1 1 307.368 -1.464 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001364815710 919074373 /nfs/dbraw/zinc/07/43/73/919074373.db2.gz SASDHSXXKYINEQ-JTQLQIEISA-N 1 1 313.445 -1.122 20 0 DAADMO Cc1[nH]c(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c(C)[nH+]1 ZINC001364905822 919093433 /nfs/dbraw/zinc/09/34/33/919093433.db2.gz BTYNQAISNBFPOI-VIFPVBQESA-N 1 1 300.340 -1.444 20 0 DAADMO O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001364949981 919105621 /nfs/dbraw/zinc/10/56/21/919105621.db2.gz DNAOUEXOWZDRNJ-MNOVXSKESA-N 1 1 320.390 -1.219 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001365215497 919140188 /nfs/dbraw/zinc/14/01/88/919140188.db2.gz SNPLWXTTWBUSCC-LBPRGKRZSA-N 1 1 318.443 -1.369 20 0 DAADMO C[NH+]1CCN(CC(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 ZINC001365214386 919140239 /nfs/dbraw/zinc/14/02/39/919140239.db2.gz NPXOJLRIJPTLJQ-UHFFFAOYSA-N 1 1 305.342 -1.719 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CNC(=O)C2)CC[N@@H+](C)C1 ZINC001365200186 919141216 /nfs/dbraw/zinc/14/12/16/919141216.db2.gz HAXDVELXIZCNPA-MNOVXSKESA-N 1 1 312.370 -1.131 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)CS(N)(=O)=O)C1 ZINC001365246734 919147717 /nfs/dbraw/zinc/14/77/17/919147717.db2.gz QTRBMJPYGCSRKC-GFCCVEGCSA-N 1 1 322.431 -1.333 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)CS(N)(=O)=O)C1 ZINC001365246737 919147820 /nfs/dbraw/zinc/14/78/20/919147820.db2.gz QTRBMJPYGCSRKC-LBPRGKRZSA-N 1 1 322.431 -1.333 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[NH2+]C2(C(N)=O)CC2)CC1 ZINC001365291474 919155678 /nfs/dbraw/zinc/15/56/78/919155678.db2.gz AJCQVAKWVLOADH-UHFFFAOYSA-N 1 1 318.399 -1.866 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@@H+](C)C1 ZINC001365312647 919156410 /nfs/dbraw/zinc/15/64/10/919156410.db2.gz PSIUANWONIMLJQ-SNVBAGLBSA-N 1 1 300.359 -1.179 20 0 DAADMO C[C@H](NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(=O)N(C)C ZINC001365310093 919156639 /nfs/dbraw/zinc/15/66/39/919156639.db2.gz IBAZBTCJJBNHBG-XQQFMLRXSA-N 1 1 314.430 -1.034 20 0 DAADMO O=S1(=O)CCC(O)(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001365310014 919156991 /nfs/dbraw/zinc/15/69/91/919156991.db2.gz HZKBJGNEZZHBLB-NWDGAFQWSA-N 1 1 304.412 -1.323 20 0 DAADMO O=S1(=O)CCC(O)(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001365310014 919156998 /nfs/dbraw/zinc/15/69/98/919156998.db2.gz HZKBJGNEZZHBLB-NWDGAFQWSA-N 1 1 304.412 -1.323 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(CO)CCCC2)C[C@H]1C(N)=O ZINC001365319026 919159110 /nfs/dbraw/zinc/15/91/10/919159110.db2.gz TXFCQZZIMZWVHJ-SDDRHHMPSA-N 1 1 313.398 -1.191 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365319842 919159280 /nfs/dbraw/zinc/15/92/80/919159280.db2.gz WHGQEQZNIPHMCN-UYXSQOIJSA-N 1 1 305.356 -2.683 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365319842 919159287 /nfs/dbraw/zinc/15/92/87/919159287.db2.gz WHGQEQZNIPHMCN-UYXSQOIJSA-N 1 1 305.356 -2.683 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(CO)CCCC2)C[C@H]1C(N)=O ZINC001365319029 919159298 /nfs/dbraw/zinc/15/92/98/919159298.db2.gz TXFCQZZIMZWVHJ-UTUOFQBUSA-N 1 1 313.398 -1.191 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365318481 919159654 /nfs/dbraw/zinc/15/96/54/919159654.db2.gz RIDRDBTWIGONDO-PHIMTYICSA-N 1 1 322.369 -2.103 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001365317280 919160720 /nfs/dbraw/zinc/16/07/20/919160720.db2.gz SZIXCUSINBPKEG-UHFFFAOYSA-N 1 1 314.386 -1.359 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)C(=O)N(C)C ZINC001365339079 919162325 /nfs/dbraw/zinc/16/23/25/919162325.db2.gz FMFYMTNWXGJZQB-SDDRHHMPSA-N 1 1 301.387 -1.498 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1)C(=O)N(C)C ZINC001365339079 919162334 /nfs/dbraw/zinc/16/23/34/919162334.db2.gz FMFYMTNWXGJZQB-SDDRHHMPSA-N 1 1 301.387 -1.498 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001365338336 919162433 /nfs/dbraw/zinc/16/24/33/919162433.db2.gz JRXMWAQFLZLEIU-AOOOYVTPSA-N 1 1 322.383 -1.180 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001365338336 919162440 /nfs/dbraw/zinc/16/24/40/919162440.db2.gz JRXMWAQFLZLEIU-AOOOYVTPSA-N 1 1 322.383 -1.180 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001365332172 919162472 /nfs/dbraw/zinc/16/24/72/919162472.db2.gz AFYBMWINYIQREJ-MRVPVSSYSA-N 1 1 305.360 -2.334 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001365332172 919162483 /nfs/dbraw/zinc/16/24/83/919162483.db2.gz AFYBMWINYIQREJ-MRVPVSSYSA-N 1 1 305.360 -2.334 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001365336154 919164190 /nfs/dbraw/zinc/16/41/90/919164190.db2.gz ISTKPZQKKDUGFJ-JSGCOSHPSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001365336154 919164202 /nfs/dbraw/zinc/16/42/02/919164202.db2.gz ISTKPZQKKDUGFJ-JSGCOSHPSA-N 1 1 302.371 -1.321 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCN1CCNC(=O)C1 ZINC001365373393 919167218 /nfs/dbraw/zinc/16/72/18/919167218.db2.gz UAQJEDMHYXYMNL-LBPRGKRZSA-N 1 1 313.402 -1.874 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCN1CCNC(=O)C1 ZINC001365373393 919167232 /nfs/dbraw/zinc/16/72/32/919167232.db2.gz UAQJEDMHYXYMNL-LBPRGKRZSA-N 1 1 313.402 -1.874 20 0 DAADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCN2CCOC2=O)C1 ZINC001365390493 919172692 /nfs/dbraw/zinc/17/26/92/919172692.db2.gz OWFCJMUAQINHIC-NSHDSACASA-N 1 1 307.372 -1.575 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001365386488 919173261 /nfs/dbraw/zinc/17/32/61/919173261.db2.gz SZKFNLWANVKTBE-VIFPVBQESA-N 1 1 301.347 -1.770 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001365409677 919176904 /nfs/dbraw/zinc/17/69/04/919176904.db2.gz ALLBHIZLSNUCOF-WDEREUQCSA-N 1 1 320.415 -1.614 20 0 DAADMO C[C@H]1[C@H](NC(=O)NCc2nnc3n2CCNC3=O)CC[N@H+]1C ZINC001365437654 919183913 /nfs/dbraw/zinc/18/39/13/919183913.db2.gz YDSZJJXBMALNFV-DTWKUNHWSA-N 1 1 307.358 -1.087 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)n1C ZINC001365566411 919198736 /nfs/dbraw/zinc/19/87/36/919198736.db2.gz YDVCRSZUYKLCQM-SECBINFHSA-N 1 1 323.357 -1.085 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)n1C ZINC001365566416 919199347 /nfs/dbraw/zinc/19/93/47/919199347.db2.gz YDVCRSZUYKLCQM-VIFPVBQESA-N 1 1 323.357 -1.085 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)c4nnn(C)n4)C3)C2)C1=O ZINC001365598347 919205506 /nfs/dbraw/zinc/20/55/06/919205506.db2.gz WMBRMZUPBBOYIX-JTQLQIEISA-N 1 1 319.369 -1.411 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001365631870 919207436 /nfs/dbraw/zinc/20/74/36/919207436.db2.gz YSVXVRHVKDAQGU-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO CCOC(=O)CN(CC(N)=O)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC001365635887 919208306 /nfs/dbraw/zinc/20/83/06/919208306.db2.gz FDIKXERECNWGKZ-UHFFFAOYSA-N 1 1 321.399 -1.239 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001365702342 919220016 /nfs/dbraw/zinc/22/00/16/919220016.db2.gz RAMLADXANBJZCB-UHFFFAOYSA-N 1 1 320.371 -1.922 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)CCN1CCOC1=O ZINC001365701988 919221908 /nfs/dbraw/zinc/22/19/08/919221908.db2.gz IFDJUSOZUPXVTG-UHFFFAOYSA-N 1 1 309.388 -1.328 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001365708130 919224198 /nfs/dbraw/zinc/22/41/98/919224198.db2.gz GCAFKRQACHMMLQ-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001365708130 919224214 /nfs/dbraw/zinc/22/42/14/919224214.db2.gz GCAFKRQACHMMLQ-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001365732993 919229223 /nfs/dbraw/zinc/22/92/23/919229223.db2.gz VAKMJFMNFFKHRT-SECBINFHSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1CCN(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC001365734136 919229301 /nfs/dbraw/zinc/22/93/01/919229301.db2.gz PXIZBXWYNQXXJH-QWHCGFSZSA-N 1 1 318.443 -1.381 20 0 DAADMO COC(=O)c1c[nH]nc1S(=O)(=O)NCC[N@H+](C)CCO ZINC001365735814 919230656 /nfs/dbraw/zinc/23/06/56/919230656.db2.gz VRTSAADAFGZKRG-UHFFFAOYSA-N 1 1 306.344 -1.601 20 0 DAADMO COC(=O)c1c[nH]nc1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001365735814 919230670 /nfs/dbraw/zinc/23/06/70/919230670.db2.gz VRTSAADAFGZKRG-UHFFFAOYSA-N 1 1 306.344 -1.601 20 0 DAADMO CNC(=O)Cn1nc(NC(=O)NCC[N@@H+](C)CCO)cc1C ZINC001365776305 919238060 /nfs/dbraw/zinc/23/80/60/919238060.db2.gz GIBFSPPBLLRAHE-UHFFFAOYSA-N 1 1 312.374 -1.017 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365833509 919239167 /nfs/dbraw/zinc/23/91/67/919239167.db2.gz KQUCPNHYIWSVFY-DCAQKATOSA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)cn1 ZINC001365866848 919242091 /nfs/dbraw/zinc/24/20/91/919242091.db2.gz AQQZZRNUGBWYRM-LBPRGKRZSA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)cn1 ZINC001365866848 919242099 /nfs/dbraw/zinc/24/20/99/919242099.db2.gz AQQZZRNUGBWYRM-LBPRGKRZSA-N 1 1 309.370 -1.196 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CCO ZINC001365874403 919242575 /nfs/dbraw/zinc/24/25/75/919242575.db2.gz UUJDIJUSICFULX-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001365876643 919242750 /nfs/dbraw/zinc/24/27/50/919242750.db2.gz PZANNDCNXOIRKA-JTQLQIEISA-N 1 1 310.358 -1.882 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001365876643 919242763 /nfs/dbraw/zinc/24/27/63/919242763.db2.gz PZANNDCNXOIRKA-JTQLQIEISA-N 1 1 310.358 -1.882 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1C[C@@H](O)COC ZINC001365873088 919243106 /nfs/dbraw/zinc/24/31/06/919243106.db2.gz QXFXDCQKKPVKCC-GRYCIOLGSA-N 1 1 312.374 -1.351 20 0 DAADMO CCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001365870750 919244092 /nfs/dbraw/zinc/24/40/92/919244092.db2.gz MAYYXDRCLILUPS-SNVBAGLBSA-N 1 1 300.359 -1.123 20 0 DAADMO CCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001365870750 919244106 /nfs/dbraw/zinc/24/41/06/919244106.db2.gz MAYYXDRCLILUPS-SNVBAGLBSA-N 1 1 300.359 -1.123 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001365928642 919246146 /nfs/dbraw/zinc/24/61/46/919246146.db2.gz XQZZAPUJUULQPD-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001365931977 919247069 /nfs/dbraw/zinc/24/70/69/919247069.db2.gz MXAPCSJWINVYMX-UHFFFAOYSA-N 1 1 323.357 -1.604 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001365879367 919247248 /nfs/dbraw/zinc/24/72/48/919247248.db2.gz WARTVOYXHFNWKG-LBPRGKRZSA-N 1 1 324.385 -1.561 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001365879367 919247256 /nfs/dbraw/zinc/24/72/56/919247256.db2.gz WARTVOYXHFNWKG-LBPRGKRZSA-N 1 1 324.385 -1.561 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCCO ZINC001365887327 919247625 /nfs/dbraw/zinc/24/76/25/919247625.db2.gz LAJRKWSNVNEMET-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CC[N@@H+]1CC(=O)NC(N)=O ZINC001365892424 919248130 /nfs/dbraw/zinc/24/81/30/919248130.db2.gz UTCUPCPJQOETTK-BDAKNGLRSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CC[N@H+]1CC(=O)NC(N)=O ZINC001365892424 919248143 /nfs/dbraw/zinc/24/81/43/919248143.db2.gz UTCUPCPJQOETTK-BDAKNGLRSA-N 1 1 300.359 -1.079 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001365879107 919248231 /nfs/dbraw/zinc/24/82/31/919248231.db2.gz GMNSAJNORKPVAQ-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001365948172 919249500 /nfs/dbraw/zinc/24/95/00/919249500.db2.gz KYALVPKJXBFMCZ-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001365948172 919249517 /nfs/dbraw/zinc/24/95/17/919249517.db2.gz KYALVPKJXBFMCZ-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001365938000 919252158 /nfs/dbraw/zinc/25/21/58/919252158.db2.gz BVWCMKQTIPDONT-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001365938000 919252173 /nfs/dbraw/zinc/25/21/73/919252173.db2.gz BVWCMKQTIPDONT-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COCC(=O)NCCN1CC[NH+](CCN2CCNC2=O)CC1 ZINC001365950960 919252360 /nfs/dbraw/zinc/25/23/60/919252360.db2.gz QEXZJNPCUMXGMP-UHFFFAOYSA-N 1 1 313.402 -1.608 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001365938629 919252641 /nfs/dbraw/zinc/25/26/41/919252641.db2.gz IWVFXIFLDLAMAD-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001365974845 919259384 /nfs/dbraw/zinc/25/93/84/919259384.db2.gz DEQWARHIGAZUJN-ZJUUUORDSA-N 1 1 308.404 -1.734 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365978669 919261599 /nfs/dbraw/zinc/26/15/99/919261599.db2.gz HYLQLNAGCVIAAB-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001365988745 919263478 /nfs/dbraw/zinc/26/34/78/919263478.db2.gz SYTXGDLKGWSNSH-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001365988745 919263496 /nfs/dbraw/zinc/26/34/96/919263496.db2.gz SYTXGDLKGWSNSH-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001365993617 919263713 /nfs/dbraw/zinc/26/37/13/919263713.db2.gz HLQYTKIACWICDC-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995743 919264358 /nfs/dbraw/zinc/26/43/58/919264358.db2.gz YGWSBAHDUHIFRT-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995743 919264376 /nfs/dbraw/zinc/26/43/76/919264376.db2.gz YGWSBAHDUHIFRT-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 ZINC001365986647 919264681 /nfs/dbraw/zinc/26/46/81/919264681.db2.gz OKXKRBMOBJSHRM-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001365994987 919265802 /nfs/dbraw/zinc/26/58/02/919265802.db2.gz KLUFEYZFPMSELN-TUAOUCFPSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001365994987 919265811 /nfs/dbraw/zinc/26/58/11/919265811.db2.gz KLUFEYZFPMSELN-TUAOUCFPSA-N 1 1 308.382 -1.176 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001365994648 919266174 /nfs/dbraw/zinc/26/61/74/919266174.db2.gz CVSZAQXQWGOAJH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)n1 ZINC001366028052 919267518 /nfs/dbraw/zinc/26/75/18/919267518.db2.gz CDXSPQJYRBVVID-WDEREUQCSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001366021990 919268428 /nfs/dbraw/zinc/26/84/28/919268428.db2.gz DNHOZLXDZCVNTG-SECBINFHSA-N 1 1 316.387 -1.761 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C2CC2)n1 ZINC001366026652 919268715 /nfs/dbraw/zinc/26/87/15/919268715.db2.gz NLVXMOGSVHQXCZ-LLVKDONJSA-N 1 1 315.399 -1.156 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001366002974 919269010 /nfs/dbraw/zinc/26/90/10/919269010.db2.gz KSEGETXPOYQZJE-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000796 919269253 /nfs/dbraw/zinc/26/92/53/919269253.db2.gz IFXFNDSIJFWZGA-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000796 919269267 /nfs/dbraw/zinc/26/92/67/919269267.db2.gz IFXFNDSIJFWZGA-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001366009649 919269716 /nfs/dbraw/zinc/26/97/16/919269716.db2.gz OQRDEZWQPAVKFC-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001366005073 919270226 /nfs/dbraw/zinc/27/02/26/919270226.db2.gz PRYBMCKKHVTDTE-WDEREUQCSA-N 1 1 310.354 -1.075 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ncnn1C)C1CC1 ZINC001366039860 919273265 /nfs/dbraw/zinc/27/32/65/919273265.db2.gz DIJHYJFYDYHVBY-SNVBAGLBSA-N 1 1 309.374 -1.272 20 0 DAADMO Cc1nnc(C[NH2+][C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001366049612 919273296 /nfs/dbraw/zinc/27/32/96/919273296.db2.gz ODJNNKZZLIYVME-NXEZZACHSA-N 1 1 307.358 -1.221 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001366049637 919274562 /nfs/dbraw/zinc/27/45/62/919274562.db2.gz ODJNNKZZLIYVME-VHSXEESVSA-N 1 1 307.358 -1.221 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001366091228 919276536 /nfs/dbraw/zinc/27/65/36/919276536.db2.gz HTJCKEOXYYIHNF-JTQLQIEISA-N 1 1 308.342 -1.272 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001366069336 919277061 /nfs/dbraw/zinc/27/70/61/919277061.db2.gz KDEXPIYZOLNFRR-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001366077769 919277523 /nfs/dbraw/zinc/27/75/23/919277523.db2.gz QOWOFNIIQRUGJE-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001366095816 919279913 /nfs/dbraw/zinc/27/99/13/919279913.db2.gz RDLCDAZIXXMSIC-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001366093115 919279990 /nfs/dbraw/zinc/27/99/90/919279990.db2.gz POTWYTTTYGZBJZ-UWVGGRQHSA-N 1 1 309.374 -1.004 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001366144276 919285840 /nfs/dbraw/zinc/28/58/40/919285840.db2.gz LFZQPGOIPCRETP-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2)C1)C(=O)NC(N)=O ZINC001366130276 919286772 /nfs/dbraw/zinc/28/67/72/919286772.db2.gz MGUWJFNIALJXSE-GMTAPVOTSA-N 1 1 311.386 -1.098 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)n1 ZINC001366126832 919288266 /nfs/dbraw/zinc/28/82/66/919288266.db2.gz PVDCSWMUQRUHOB-MGCOHNPYSA-N 1 1 305.346 -1.371 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001366129748 919288301 /nfs/dbraw/zinc/28/83/01/919288301.db2.gz QQEXOOJGOLZPDH-HAQNSBGRSA-N 1 1 323.401 -1.331 20 0 DAADMO COCC[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366168231 919289209 /nfs/dbraw/zinc/28/92/09/919289209.db2.gz BJRVZYJDZIVKBW-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001366173751 919293338 /nfs/dbraw/zinc/29/33/38/919293338.db2.gz SPBQXFZBXAJFLQ-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001366199420 919293604 /nfs/dbraw/zinc/29/36/04/919293604.db2.gz XGAVOTWSXZAFKO-JTQLQIEISA-N 1 1 324.389 -1.533 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1COC(=O)C1 ZINC001366231320 919295911 /nfs/dbraw/zinc/29/59/11/919295911.db2.gz DSDJASJLXUMQTA-QHUBEEEXSA-N 1 1 312.366 -1.007 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001366235904 919296501 /nfs/dbraw/zinc/29/65/01/919296501.db2.gz OELLFAVMFIWXHF-HKLXJQGRSA-N 1 1 314.386 -1.513 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)NC(N)=O ZINC001366235931 919296697 /nfs/dbraw/zinc/29/66/97/919296697.db2.gz SEQKNSOLVBBUEN-IIEKFROSSA-N 1 1 323.397 -1.242 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233521 919296729 /nfs/dbraw/zinc/29/67/29/919296729.db2.gz NUQSJSZNXSEABM-HMUNZLOLSA-N 1 1 324.381 -1.087 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233521 919296745 /nfs/dbraw/zinc/29/67/45/919296745.db2.gz NUQSJSZNXSEABM-HMUNZLOLSA-N 1 1 324.381 -1.087 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001366235945 919297767 /nfs/dbraw/zinc/29/77/67/919297767.db2.gz TYQGDVRLNXYCHN-XPORZQOISA-N 1 1 308.382 -1.164 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235943 919297965 /nfs/dbraw/zinc/29/79/65/919297965.db2.gz TYQGDVRLNXYCHN-HMUNZLOLSA-N 1 1 308.382 -1.164 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233523 919298717 /nfs/dbraw/zinc/29/87/17/919298717.db2.gz NUQSJSZNXSEABM-IIEKFROSSA-N 1 1 324.381 -1.087 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233523 919298743 /nfs/dbraw/zinc/29/87/43/919298743.db2.gz NUQSJSZNXSEABM-IIEKFROSSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCS(C)(=O)=O ZINC001366270394 919301908 /nfs/dbraw/zinc/30/19/08/919301908.db2.gz SOLPKMOZKLEIGT-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001366278257 919303367 /nfs/dbraw/zinc/30/33/67/919303367.db2.gz QQNUCRMYJUIAGR-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001366304290 919307138 /nfs/dbraw/zinc/30/71/38/919307138.db2.gz HFJRPRAEAZXKFU-MRVPVSSYSA-N 1 1 309.330 -1.432 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001366315228 919309655 /nfs/dbraw/zinc/30/96/55/919309655.db2.gz YVDQQZIXIHXMDW-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO C[C@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCN1CCNC1=O ZINC001366324628 919310161 /nfs/dbraw/zinc/31/01/61/919310161.db2.gz QDLZHTUIZFEWLD-SECBINFHSA-N 1 1 310.358 -1.141 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001366334051 919314420 /nfs/dbraw/zinc/31/44/20/919314420.db2.gz NGVJXWFRIYUKBS-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001366334051 919314433 /nfs/dbraw/zinc/31/44/33/919314433.db2.gz NGVJXWFRIYUKBS-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001366355896 919315904 /nfs/dbraw/zinc/31/59/04/919315904.db2.gz NAAAZTYOEMBONF-QMMMGPOBSA-N 1 1 324.345 -2.254 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nccc(C)n1 ZINC001366364770 919317922 /nfs/dbraw/zinc/31/79/22/919317922.db2.gz LNHFTZDDCAKWBR-JTQLQIEISA-N 1 1 315.399 -1.071 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001366386247 919323704 /nfs/dbraw/zinc/32/37/04/919323704.db2.gz WMJCLJOWGPLPBI-VIFPVBQESA-N 1 1 317.371 -1.301 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCOC)C1 ZINC001366418985 919326968 /nfs/dbraw/zinc/32/69/68/919326968.db2.gz DICHJCCEWUSUES-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)CCN1CCNC1=O ZINC001366516182 919332548 /nfs/dbraw/zinc/33/25/48/919332548.db2.gz XEYRKFXBNDVDEP-NSHDSACASA-N 1 1 300.359 -1.525 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COCCO1)CCN1CCNC1=O ZINC001366516164 919334186 /nfs/dbraw/zinc/33/41/86/919334186.db2.gz XEYRKFXBNDVDEP-LLVKDONJSA-N 1 1 300.359 -1.525 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001366524357 919335392 /nfs/dbraw/zinc/33/53/92/919335392.db2.gz JFSFQTNJJCDTFW-UWVGGRQHSA-N 1 1 319.383 -1.423 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001366524357 919335407 /nfs/dbraw/zinc/33/54/07/919335407.db2.gz JFSFQTNJJCDTFW-UWVGGRQHSA-N 1 1 319.383 -1.423 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)c1N ZINC001366521676 919335888 /nfs/dbraw/zinc/33/58/88/919335888.db2.gz UQBVGTAODDGQLZ-UHFFFAOYSA-N 1 1 318.403 -1.787 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)c1N ZINC001366521676 919335895 /nfs/dbraw/zinc/33/58/95/919335895.db2.gz UQBVGTAODDGQLZ-UHFFFAOYSA-N 1 1 318.403 -1.787 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001366516677 919336201 /nfs/dbraw/zinc/33/62/01/919336201.db2.gz RQQABILEGLNOIP-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001366516677 919336224 /nfs/dbraw/zinc/33/62/24/919336224.db2.gz RQQABILEGLNOIP-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001366519083 919336376 /nfs/dbraw/zinc/33/63/76/919336376.db2.gz KNELFMXNVWXKPM-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001366519083 919336394 /nfs/dbraw/zinc/33/63/94/919336394.db2.gz KNELFMXNVWXKPM-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366523078 919338526 /nfs/dbraw/zinc/33/85/26/919338526.db2.gz AALDCAHNPSFCFQ-JTQLQIEISA-N 1 1 315.374 -1.150 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1cc(C)cn1 ZINC001366523774 919339279 /nfs/dbraw/zinc/33/92/79/919339279.db2.gz YNPNHLLMFVZAFO-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cc(C)cn1 ZINC001366523774 919339291 /nfs/dbraw/zinc/33/92/91/919339291.db2.gz YNPNHLLMFVZAFO-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001366516866 919339430 /nfs/dbraw/zinc/33/94/30/919339430.db2.gz FQUAZCOIEUAYIU-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001366516866 919339446 /nfs/dbraw/zinc/33/94/46/919339446.db2.gz FQUAZCOIEUAYIU-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001366519079 919340193 /nfs/dbraw/zinc/34/01/93/919340193.db2.gz KNELFMXNVWXKPM-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001366519079 919340211 /nfs/dbraw/zinc/34/02/11/919340211.db2.gz KNELFMXNVWXKPM-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001366556580 919342852 /nfs/dbraw/zinc/34/28/52/919342852.db2.gz GLLVZNLAOWPPKW-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001366556580 919342862 /nfs/dbraw/zinc/34/28/62/919342862.db2.gz GLLVZNLAOWPPKW-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO Cc1nc(C(=O)NCC[N@H+](C)C[C@H](C)O)nn1-c1nc[nH]n1 ZINC001366550209 919343140 /nfs/dbraw/zinc/34/31/40/919343140.db2.gz DRIGYXWKCZHOFS-QMMMGPOBSA-N 1 1 308.346 -1.264 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001366559864 919345728 /nfs/dbraw/zinc/34/57/28/919345728.db2.gz NILUJFJLUXJUID-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001366559864 919345741 /nfs/dbraw/zinc/34/57/41/919345741.db2.gz NILUJFJLUXJUID-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc(C(N)=O)c[nH]1)CCN1CCNC1=O ZINC001366574800 919345778 /nfs/dbraw/zinc/34/57/78/919345778.db2.gz FFJYKVJHFFAESY-UHFFFAOYSA-N 1 1 322.369 -1.200 20 0 DAADMO C[N@H+](CCNC(=O)[C@@]1(F)CCOC1)CCNS(C)(=O)=O ZINC001366563901 919347249 /nfs/dbraw/zinc/34/72/49/919347249.db2.gz KCYTWFRMEPJCCO-LLVKDONJSA-N 1 1 311.379 -1.288 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(F)CCOC1)CCNS(C)(=O)=O ZINC001366563901 919347264 /nfs/dbraw/zinc/34/72/64/919347264.db2.gz KCYTWFRMEPJCCO-LLVKDONJSA-N 1 1 311.379 -1.288 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCN2CCCC2=O)NC1=O ZINC001366561575 919347373 /nfs/dbraw/zinc/34/73/73/919347373.db2.gz UJZRZBXMVHFRHM-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001366584856 919350536 /nfs/dbraw/zinc/35/05/36/919350536.db2.gz BQQGTNOMUKMGIA-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001366584856 919350547 /nfs/dbraw/zinc/35/05/47/919350547.db2.gz BQQGTNOMUKMGIA-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)ccc1=O ZINC001366593792 919350655 /nfs/dbraw/zinc/35/06/55/919350655.db2.gz YZGCXAIVAKMAPN-UHFFFAOYSA-N 1 1 322.369 -1.533 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001366591145 919352005 /nfs/dbraw/zinc/35/20/05/919352005.db2.gz QGFKWMPBBKJZEY-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001366591145 919352022 /nfs/dbraw/zinc/35/20/22/919352022.db2.gz QGFKWMPBBKJZEY-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCc2nncn2C1)CC(=O)NC(N)=O ZINC001366592372 919352402 /nfs/dbraw/zinc/35/24/02/919352402.db2.gz MBLIWXJOBBIBGO-VIFPVBQESA-N 1 1 323.357 -1.917 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)CC(=O)NC(N)=O ZINC001366592372 919352416 /nfs/dbraw/zinc/35/24/16/919352416.db2.gz MBLIWXJOBBIBGO-VIFPVBQESA-N 1 1 323.357 -1.917 20 0 DAADMO CCN1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)C1 ZINC001366593712 919353053 /nfs/dbraw/zinc/35/30/53/919353053.db2.gz ZGCCTFLBDAQLQK-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001366588646 919353995 /nfs/dbraw/zinc/35/39/95/919353995.db2.gz WVHOCXFZHWQXTI-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001366588646 919354010 /nfs/dbraw/zinc/35/40/10/919354010.db2.gz WVHOCXFZHWQXTI-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCc1ccnn1C ZINC001366592425 919354061 /nfs/dbraw/zinc/35/40/61/919354061.db2.gz ZCYXWWHUDOIZFM-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC(=O)NC ZINC001366612552 919356302 /nfs/dbraw/zinc/35/63/02/919356302.db2.gz CSSWGOTXHRHUMJ-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC(=O)NC ZINC001366612552 919356315 /nfs/dbraw/zinc/35/63/15/919356315.db2.gz CSSWGOTXHRHUMJ-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO CC[N@H+](CCNC(=O)c1nn(C)cc1C)CC(=O)NC(N)=O ZINC001366610797 919357746 /nfs/dbraw/zinc/35/77/46/919357746.db2.gz JLOSNQATAXPDEY-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nn(C)cc1C)CC(=O)NC(N)=O ZINC001366610797 919357755 /nfs/dbraw/zinc/35/77/55/919357755.db2.gz JLOSNQATAXPDEY-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CCCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001366627087 919358017 /nfs/dbraw/zinc/35/80/17/919358017.db2.gz QKCIRRUSBBGRQC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001366627087 919358034 /nfs/dbraw/zinc/35/80/34/919358034.db2.gz QKCIRRUSBBGRQC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H](C)C(=O)NC1CC1 ZINC001366629175 919359441 /nfs/dbraw/zinc/35/94/41/919359441.db2.gz XYPUHVJQVQLHBP-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H](C)C(=O)NC1CC1 ZINC001366629175 919359459 /nfs/dbraw/zinc/35/94/59/919359459.db2.gz XYPUHVJQVQLHBP-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H](C)C(=O)NC1CC1 ZINC001366629180 919359778 /nfs/dbraw/zinc/35/97/78/919359778.db2.gz XYPUHVJQVQLHBP-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H](C)C(=O)NC1CC1 ZINC001366629180 919359795 /nfs/dbraw/zinc/35/97/95/919359795.db2.gz XYPUHVJQVQLHBP-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366652964 919360402 /nfs/dbraw/zinc/36/04/02/919360402.db2.gz ALISRUYIRVFCKZ-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366652964 919360422 /nfs/dbraw/zinc/36/04/22/919360422.db2.gz ALISRUYIRVFCKZ-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001366670811 919361909 /nfs/dbraw/zinc/36/19/09/919361909.db2.gz LEJWTGIFXJILIB-NSHDSACASA-N 1 1 309.374 -1.083 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)CCN1CCNC1=O ZINC001366645586 919363203 /nfs/dbraw/zinc/36/32/03/919363203.db2.gz WEMNRDOOVLGBPS-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO O=C(CCn1cncn1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366685519 919366411 /nfs/dbraw/zinc/36/64/11/919366411.db2.gz RFAAVRFXCBAACD-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001366697879 919366842 /nfs/dbraw/zinc/36/68/42/919366842.db2.gz PGVREVGWZXNJNP-SECBINFHSA-N 1 1 316.387 -1.594 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366695388 919367278 /nfs/dbraw/zinc/36/72/78/919367278.db2.gz KNEXWCPGANIFCQ-MNOVXSKESA-N 1 1 310.354 -1.232 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001366697888 919367318 /nfs/dbraw/zinc/36/73/18/919367318.db2.gz PGVREVGWZXNJNP-VIFPVBQESA-N 1 1 316.387 -1.594 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001366683593 919367881 /nfs/dbraw/zinc/36/78/81/919367881.db2.gz PLKWKOGIXABNJR-NXEZZACHSA-N 1 1 323.357 -1.528 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366695830 919368025 /nfs/dbraw/zinc/36/80/25/919368025.db2.gz KNEXWCPGANIFCQ-WDEREUQCSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001366681240 919368352 /nfs/dbraw/zinc/36/83/52/919368352.db2.gz OFLQQYFGPQVIEO-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001366688596 919368520 /nfs/dbraw/zinc/36/85/20/919368520.db2.gz KLXLUCHZNIQBHX-WDEREUQCSA-N 1 1 307.416 -1.255 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366691673 919368548 /nfs/dbraw/zinc/36/85/48/919368548.db2.gz LERMRHZDLLNUPF-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001366695676 919368886 /nfs/dbraw/zinc/36/88/86/919368886.db2.gz HQWUSXRMWICOFJ-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001366683924 919369259 /nfs/dbraw/zinc/36/92/59/919369259.db2.gz XFIJCQDGKUJCGI-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001366688981 919369488 /nfs/dbraw/zinc/36/94/88/919369488.db2.gz MMBPHPFIDITCFD-PWSUYJOCSA-N 1 1 320.411 -1.524 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001366744654 919370493 /nfs/dbraw/zinc/37/04/93/919370493.db2.gz HLCVSKIINXYLBZ-XPTSAGLGSA-N 1 1 310.354 -1.202 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001366744654 919370509 /nfs/dbraw/zinc/37/05/09/919370509.db2.gz HLCVSKIINXYLBZ-XPTSAGLGSA-N 1 1 310.354 -1.202 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001366734436 919370826 /nfs/dbraw/zinc/37/08/26/919370826.db2.gz RVEKWKAJHJLFLL-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001366702996 919371387 /nfs/dbraw/zinc/37/13/87/919371387.db2.gz WUOBAKSPFGFCKO-GFCCVEGCSA-N 1 1 311.386 -1.208 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC001366744771 919371692 /nfs/dbraw/zinc/37/16/92/919371692.db2.gz JTVKSLBIMNNFOR-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)C1CC1 ZINC001366744771 919371707 /nfs/dbraw/zinc/37/17/07/919371707.db2.gz JTVKSLBIMNNFOR-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001366748090 919372281 /nfs/dbraw/zinc/37/22/81/919372281.db2.gz ZWALBNIECKKKNW-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001366748090 919372297 /nfs/dbraw/zinc/37/22/97/919372297.db2.gz ZWALBNIECKKKNW-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001366748100 919372331 /nfs/dbraw/zinc/37/23/31/919372331.db2.gz ZWALBNIECKKKNW-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001366748100 919372349 /nfs/dbraw/zinc/37/23/49/919372349.db2.gz ZWALBNIECKKKNW-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(=O)NC ZINC001366722447 919372392 /nfs/dbraw/zinc/37/23/92/919372392.db2.gz ZQPNASNIWVWIBJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(=O)NC ZINC001366722447 919372401 /nfs/dbraw/zinc/37/24/01/919372401.db2.gz ZQPNASNIWVWIBJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@H+](CC(N)=O)C2CC2)c1=O ZINC001366738040 919372626 /nfs/dbraw/zinc/37/26/26/919372626.db2.gz AGUJIPOJVZVEHY-UHFFFAOYSA-N 1 1 323.353 -2.387 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)c1=O ZINC001366738040 919372642 /nfs/dbraw/zinc/37/26/42/919372642.db2.gz AGUJIPOJVZVEHY-UHFFFAOYSA-N 1 1 323.353 -2.387 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@H+](CC(=O)N1CCCC1)C1CC1 ZINC001366740870 919372788 /nfs/dbraw/zinc/37/27/88/919372788.db2.gz KRWRWFVJCACTFS-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](CC(=O)N1CCCC1)C1CC1 ZINC001366740870 919372813 /nfs/dbraw/zinc/37/28/13/919372813.db2.gz KRWRWFVJCACTFS-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001366738744 919372846 /nfs/dbraw/zinc/37/28/46/919372846.db2.gz AUICOHOMCSCBLO-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001366738744 919372855 /nfs/dbraw/zinc/37/28/55/919372855.db2.gz AUICOHOMCSCBLO-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001366709189 919373585 /nfs/dbraw/zinc/37/35/85/919373585.db2.gz LTPWZEFSFJPMDO-VIFPVBQESA-N 1 1 323.357 -1.455 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001366709189 919373600 /nfs/dbraw/zinc/37/36/00/919373600.db2.gz LTPWZEFSFJPMDO-VIFPVBQESA-N 1 1 323.357 -1.455 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@H](C)C(N)=O ZINC001366721985 919374723 /nfs/dbraw/zinc/37/47/23/919374723.db2.gz ORBMILGTGJKPON-LLVKDONJSA-N 1 1 313.402 -1.880 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001366708732 919374885 /nfs/dbraw/zinc/37/48/85/919374885.db2.gz QYRWOQXBUNUQIP-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001366708732 919374894 /nfs/dbraw/zinc/37/48/94/919374894.db2.gz QYRWOQXBUNUQIP-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CCC[N@H+](CCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001366721774 919375073 /nfs/dbraw/zinc/37/50/73/919375073.db2.gz MOLLGCCQHKLFSS-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)Cc1cnnn1C ZINC001366721774 919375087 /nfs/dbraw/zinc/37/50/87/919375087.db2.gz MOLLGCCQHKLFSS-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001366714905 919375405 /nfs/dbraw/zinc/37/54/05/919375405.db2.gz XUCKIWDDQSYDRZ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001366714905 919375425 /nfs/dbraw/zinc/37/54/25/919375425.db2.gz XUCKIWDDQSYDRZ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1C)c1nnnn1C ZINC001366771054 919375918 /nfs/dbraw/zinc/37/59/18/919375918.db2.gz CCTAKVZQEBSFQE-ZJUUUORDSA-N 1 1 309.374 -1.060 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001366827751 919380372 /nfs/dbraw/zinc/38/03/72/919380372.db2.gz PZCIACMQNZBTSB-QWHCGFSZSA-N 1 1 301.387 -1.042 20 0 DAADMO CCCN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001366809740 919381467 /nfs/dbraw/zinc/38/14/67/919381467.db2.gz WLLNCTQPGCLBEG-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001366796587 919381912 /nfs/dbraw/zinc/38/19/12/919381912.db2.gz KCBIZFFPZRIDAL-GARJFASQSA-N 1 1 320.415 -1.904 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001366796591 919383085 /nfs/dbraw/zinc/38/30/85/919383085.db2.gz KCBIZFFPZRIDAL-MXWKQRLJSA-N 1 1 320.415 -1.904 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001366799648 919383200 /nfs/dbraw/zinc/38/32/00/919383200.db2.gz INNNGDWVAPLEOG-OUAUKWLOSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366828342 919383302 /nfs/dbraw/zinc/38/33/02/919383302.db2.gz UPFYINKLWFOVCU-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001366844957 919384640 /nfs/dbraw/zinc/38/46/40/919384640.db2.gz XIJHXTAABPUZKD-LLVKDONJSA-N 1 1 322.431 -1.797 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366836133 919385631 /nfs/dbraw/zinc/38/56/31/919385631.db2.gz PLPVXBMNMZNNRU-WDEREUQCSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366836133 919385645 /nfs/dbraw/zinc/38/56/45/919385645.db2.gz PLPVXBMNMZNNRU-WDEREUQCSA-N 1 1 321.385 -1.175 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366860400 919385858 /nfs/dbraw/zinc/38/58/58/919385858.db2.gz KESPXLMHHRIEKM-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001366849798 919386330 /nfs/dbraw/zinc/38/63/30/919386330.db2.gz DBNWTRZXPWJEFP-QWRGUYRKSA-N 1 1 307.416 -1.255 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001366844984 919386392 /nfs/dbraw/zinc/38/63/92/919386392.db2.gz XIJHXTAABPUZKD-NSHDSACASA-N 1 1 322.431 -1.797 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001366831737 919386596 /nfs/dbraw/zinc/38/65/96/919386596.db2.gz CNINRLRMHCTQDF-MNOVXSKESA-N 1 1 312.374 -1.341 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001366849799 919386722 /nfs/dbraw/zinc/38/67/22/919386722.db2.gz DBNWTRZXPWJEFP-WDEREUQCSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366861159 919387532 /nfs/dbraw/zinc/38/75/32/919387532.db2.gz OIHVXGMFBUHKJZ-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001366861048 919387800 /nfs/dbraw/zinc/38/78/00/919387800.db2.gz DDOTVIVEANJYED-QJPTWQEYSA-N 1 1 316.402 -1.121 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@H+](C[C@H](C)O)C1)C(N)=O ZINC001366906514 919389261 /nfs/dbraw/zinc/38/92/61/919389261.db2.gz RMMCUVNPNUOGOC-DLOVCJGASA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCF)C1)C(N)=O ZINC001366892770 919389841 /nfs/dbraw/zinc/38/98/41/919389841.db2.gz WHCXOMGPZOOKBG-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1)C(N)=O ZINC001366892770 919389856 /nfs/dbraw/zinc/38/98/56/919389856.db2.gz WHCXOMGPZOOKBG-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366901953 919390883 /nfs/dbraw/zinc/39/08/83/919390883.db2.gz JHIYNMYHIBMKQV-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366901953 919390896 /nfs/dbraw/zinc/39/08/96/919390896.db2.gz JHIYNMYHIBMKQV-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366874689 919391103 /nfs/dbraw/zinc/39/11/03/919391103.db2.gz UTBOCMMZIVRYJO-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001366903418 919392415 /nfs/dbraw/zinc/39/24/15/919392415.db2.gz OWHUBZKDYHFZLK-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001366879221 919392894 /nfs/dbraw/zinc/39/28/94/919392894.db2.gz MAIMMQXZQGOEPQ-SNVBAGLBSA-N 1 1 320.415 -1.857 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366918807 919393413 /nfs/dbraw/zinc/39/34/13/919393413.db2.gz JNNNHGGAVBKUIE-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001366924583 919396348 /nfs/dbraw/zinc/39/63/48/919396348.db2.gz PJQAPKVCWRAZTG-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001366924583 919396361 /nfs/dbraw/zinc/39/63/61/919396361.db2.gz PJQAPKVCWRAZTG-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001366924118 919397804 /nfs/dbraw/zinc/39/78/04/919397804.db2.gz NHWPRHKEKCAHOZ-MWLCHTKSSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001366941821 919403504 /nfs/dbraw/zinc/40/35/04/919403504.db2.gz RKDQRFXKFJHLII-UHFFFAOYSA-N 1 1 313.358 -2.296 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001366945966 919405174 /nfs/dbraw/zinc/40/51/74/919405174.db2.gz PZAAMFAQSRSTGY-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001366963601 919408848 /nfs/dbraw/zinc/40/88/48/919408848.db2.gz VTRAFUSSWPGISY-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)N(C)C(C)C)C1 ZINC001366968133 919410290 /nfs/dbraw/zinc/41/02/90/919410290.db2.gz QZSLUGMPAHFKRB-UHFFFAOYSA-N 1 1 313.402 -1.170 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001366959610 919410449 /nfs/dbraw/zinc/41/04/49/919410449.db2.gz FCUFQSHRUJEHFD-AWEZNQCLSA-N 1 1 324.425 -1.109 20 0 DAADMO O=C(NCC[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001366961026 919411295 /nfs/dbraw/zinc/41/12/95/919411295.db2.gz FSINFQIAOZGTPK-GFCCVEGCSA-N 1 1 308.382 -1.161 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001366983028 919413132 /nfs/dbraw/zinc/41/31/32/919413132.db2.gz GMUMDNMNLXNCSD-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001366969970 919415473 /nfs/dbraw/zinc/41/54/73/919415473.db2.gz BVPOBHHFMGETTK-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366981691 919415835 /nfs/dbraw/zinc/41/58/35/919415835.db2.gz AIZFKPVLIBGMPW-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001367001267 919417557 /nfs/dbraw/zinc/41/75/57/919417557.db2.gz XQIIPLWILRYFIM-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001366987650 919418292 /nfs/dbraw/zinc/41/82/92/919418292.db2.gz FZKVZGJTIQATSY-SECBINFHSA-N 1 1 306.388 -2.153 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001366990657 919419472 /nfs/dbraw/zinc/41/94/72/919419472.db2.gz IBHSRBDOABMDPF-UHFFFAOYSA-N 1 1 310.402 -1.003 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001367014548 919420754 /nfs/dbraw/zinc/42/07/54/919420754.db2.gz RWZKHZWEMDOOFP-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001367014548 919420758 /nfs/dbraw/zinc/42/07/58/919420758.db2.gz RWZKHZWEMDOOFP-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001367010855 919420842 /nfs/dbraw/zinc/42/08/42/919420842.db2.gz QYMXJYFVMLWCJD-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001367016312 919421850 /nfs/dbraw/zinc/42/18/50/919421850.db2.gz UHQCVTMEHXCPNB-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001367016312 919421862 /nfs/dbraw/zinc/42/18/62/919421862.db2.gz UHQCVTMEHXCPNB-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001367009136 919422677 /nfs/dbraw/zinc/42/26/77/919422677.db2.gz NSCSKAYCOXTLQI-WPRPVWTQSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001367009136 919422680 /nfs/dbraw/zinc/42/26/80/919422680.db2.gz NSCSKAYCOXTLQI-WPRPVWTQSA-N 1 1 309.326 -1.009 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001367016041 919422838 /nfs/dbraw/zinc/42/28/38/919422838.db2.gz BCTJBPGCIBCKSG-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001367014547 919423511 /nfs/dbraw/zinc/42/35/11/919423511.db2.gz RWZKHZWEMDOOFP-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001367014547 919423515 /nfs/dbraw/zinc/42/35/15/919423515.db2.gz RWZKHZWEMDOOFP-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001367025859 919425783 /nfs/dbraw/zinc/42/57/83/919425783.db2.gz JJPMZTVBQZPSTL-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001367025859 919425795 /nfs/dbraw/zinc/42/57/95/919425795.db2.gz JJPMZTVBQZPSTL-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001367030700 919426045 /nfs/dbraw/zinc/42/60/45/919426045.db2.gz HZLKFENVYRPWHP-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001367030700 919426055 /nfs/dbraw/zinc/42/60/55/919426055.db2.gz HZLKFENVYRPWHP-GHMZBOCLSA-N 1 1 322.369 -1.949 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001367025213 919426180 /nfs/dbraw/zinc/42/61/80/919426180.db2.gz OQRDEZWQPAVKFC-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030459 919426353 /nfs/dbraw/zinc/42/63/53/919426353.db2.gz NTAYJQBMSLNIEG-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030459 919426359 /nfs/dbraw/zinc/42/63/59/919426359.db2.gz NTAYJQBMSLNIEG-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367021494 919426634 /nfs/dbraw/zinc/42/66/34/919426634.db2.gz DHXLKKQQVZEOCN-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367021494 919426640 /nfs/dbraw/zinc/42/66/40/919426640.db2.gz DHXLKKQQVZEOCN-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367033782 919430873 /nfs/dbraw/zinc/43/08/73/919430873.db2.gz VABWEOKMFHZXGK-DTWKUNHWSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367033782 919430877 /nfs/dbraw/zinc/43/08/77/919430877.db2.gz VABWEOKMFHZXGK-DTWKUNHWSA-N 1 1 306.388 -1.881 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001367045114 919431383 /nfs/dbraw/zinc/43/13/83/919431383.db2.gz LLHQLZCIZMZNQG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001367045114 919431390 /nfs/dbraw/zinc/43/13/90/919431390.db2.gz LLHQLZCIZMZNQG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001367039862 919431677 /nfs/dbraw/zinc/43/16/77/919431677.db2.gz ZNWOMDAZTXNHCA-GMTAPVOTSA-N 1 1 311.386 -1.098 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001367039862 919431688 /nfs/dbraw/zinc/43/16/88/919431688.db2.gz ZNWOMDAZTXNHCA-GMTAPVOTSA-N 1 1 311.386 -1.098 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001367051652 919432535 /nfs/dbraw/zinc/43/25/35/919432535.db2.gz JNSHBVABJCQHAA-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001367058631 919434063 /nfs/dbraw/zinc/43/40/63/919434063.db2.gz KSIKKBJMFSKALS-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001367058631 919434068 /nfs/dbraw/zinc/43/40/68/919434068.db2.gz KSIKKBJMFSKALS-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CCN(C(=O)Cn1cncn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367075504 919434453 /nfs/dbraw/zinc/43/44/53/919434453.db2.gz UGXJBQBKLXOUBK-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CCN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367075504 919434466 /nfs/dbraw/zinc/43/44/66/919434466.db2.gz UGXJBQBKLXOUBK-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CCN(C(=O)Cn1nc(C)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001367078881 919435376 /nfs/dbraw/zinc/43/53/76/919435376.db2.gz KOXSRBBPGUYFQR-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001367069256 919435822 /nfs/dbraw/zinc/43/58/22/919435822.db2.gz GTCAPQIRROVGDC-SNVBAGLBSA-N 1 1 320.415 -1.537 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367069256 919435831 /nfs/dbraw/zinc/43/58/31/919435831.db2.gz GTCAPQIRROVGDC-SNVBAGLBSA-N 1 1 320.415 -1.537 20 0 DAADMO CC[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001367108648 919439093 /nfs/dbraw/zinc/43/90/93/919439093.db2.gz WRDCCPQBFWJWPG-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001367225630 919443108 /nfs/dbraw/zinc/44/31/08/919443108.db2.gz FPQPWRKOWCAUMI-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC001367292577 919447535 /nfs/dbraw/zinc/44/75/35/919447535.db2.gz CDDZFZCHQCOSLL-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC001367292592 919448955 /nfs/dbraw/zinc/44/89/55/919448955.db2.gz CDDZFZCHQCOSLL-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN([C@H](C)C(N)=O)CCO1 ZINC001367304945 919451034 /nfs/dbraw/zinc/45/10/34/919451034.db2.gz LSZUKOGPRYUZDC-NEPJUHHUSA-N 1 1 309.370 -1.118 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCCC1=O ZINC001367343147 919457929 /nfs/dbraw/zinc/45/79/29/919457929.db2.gz LYCRWQRPAVDMMG-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CNC(=O)NC)CC2 ZINC001367337072 919458368 /nfs/dbraw/zinc/45/83/68/919458368.db2.gz RRVXTVWEKQESGS-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001367322259 919458783 /nfs/dbraw/zinc/45/87/83/919458783.db2.gz YVBQDLCBWYSRMM-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001367381126 919460889 /nfs/dbraw/zinc/46/08/89/919460889.db2.gz WHCOVIICJQZHTR-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001367375102 919460963 /nfs/dbraw/zinc/46/09/63/919460963.db2.gz KOYQSCBFUVDCDL-SNVBAGLBSA-N 1 1 310.358 -1.562 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001367384637 919462148 /nfs/dbraw/zinc/46/21/48/919462148.db2.gz MRCGMFFDLLNUEE-MRVPVSSYSA-N 1 1 306.330 -1.456 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001367398474 919465677 /nfs/dbraw/zinc/46/56/77/919465677.db2.gz FUKSWJBUQSATKM-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503786 919467331 /nfs/dbraw/zinc/46/73/31/919467331.db2.gz UOWHIDMQQVVGRA-DTWKUNHWSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503786 919467337 /nfs/dbraw/zinc/46/73/37/919467337.db2.gz UOWHIDMQQVVGRA-DTWKUNHWSA-N 1 1 314.342 -1.619 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001367485157 919467732 /nfs/dbraw/zinc/46/77/32/919467732.db2.gz PIZFEYLGKCLLFL-NWDGAFQWSA-N 1 1 318.443 -1.034 20 0 DAADMO Cc1c(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001367501581 919468001 /nfs/dbraw/zinc/46/80/01/919468001.db2.gz AMSPZWYXKZHMSD-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1c(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001367501581 919468013 /nfs/dbraw/zinc/46/80/13/919468013.db2.gz AMSPZWYXKZHMSD-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCOC1 ZINC001367508351 919468461 /nfs/dbraw/zinc/46/84/61/919468461.db2.gz PKFAHTQFSPXOEX-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCOC1 ZINC001367508351 919468473 /nfs/dbraw/zinc/46/84/73/919468473.db2.gz PKFAHTQFSPXOEX-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001367508868 919468834 /nfs/dbraw/zinc/46/88/34/919468834.db2.gz XCTWWKJFSLYIDR-SNVBAGLBSA-N 1 1 313.358 -1.490 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001367502828 919469192 /nfs/dbraw/zinc/46/91/92/919469192.db2.gz WDCXXRQTIHLPFV-ZDUSSCGKSA-N 1 1 311.386 -1.230 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1cn(C)nn1 ZINC001367507549 919469595 /nfs/dbraw/zinc/46/95/95/919469595.db2.gz QBVUOUIUHCGJJB-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1cn(C)nn1 ZINC001367507549 919469601 /nfs/dbraw/zinc/46/96/01/919469601.db2.gz QBVUOUIUHCGJJB-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001367499066 919469707 /nfs/dbraw/zinc/46/97/07/919469707.db2.gz MSWUDYRZHQWMPW-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503150 919469852 /nfs/dbraw/zinc/46/98/52/919469852.db2.gz QCJYDGOVNCAIMA-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503150 919469859 /nfs/dbraw/zinc/46/98/59/919469859.db2.gz QCJYDGOVNCAIMA-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001367530243 919471533 /nfs/dbraw/zinc/47/15/33/919471533.db2.gz ACUXYDJEQYXICV-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001367530243 919471547 /nfs/dbraw/zinc/47/15/47/919471547.db2.gz ACUXYDJEQYXICV-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001367530947 919472483 /nfs/dbraw/zinc/47/24/83/919472483.db2.gz CGTRZMIKEDTNRH-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001367530947 919472493 /nfs/dbraw/zinc/47/24/93/919472493.db2.gz CGTRZMIKEDTNRH-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001367534298 919473035 /nfs/dbraw/zinc/47/30/35/919473035.db2.gz KVFWGWFPRFJKKJ-ZJUUUORDSA-N 1 1 320.415 -1.953 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001367534298 919473042 /nfs/dbraw/zinc/47/30/42/919473042.db2.gz KVFWGWFPRFJKKJ-ZJUUUORDSA-N 1 1 320.415 -1.953 20 0 DAADMO CN(CC[N@H+](C)CCF)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001367520998 919473616 /nfs/dbraw/zinc/47/36/16/919473616.db2.gz SVECTKZEQZVEIH-UHFFFAOYSA-N 1 1 300.334 -1.093 20 0 DAADMO CN(CC[N@@H+](C)CCF)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001367520998 919473627 /nfs/dbraw/zinc/47/36/27/919473627.db2.gz SVECTKZEQZVEIH-UHFFFAOYSA-N 1 1 300.334 -1.093 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001367517004 919473892 /nfs/dbraw/zinc/47/38/92/919473892.db2.gz CIKSIOOBEBNWGY-UHFFFAOYSA-N 1 1 300.403 -1.467 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367538425 919474070 /nfs/dbraw/zinc/47/40/70/919474070.db2.gz XUXRWTGMVKXHKM-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367538425 919474083 /nfs/dbraw/zinc/47/40/83/919474083.db2.gz XUXRWTGMVKXHKM-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517024 919474277 /nfs/dbraw/zinc/47/42/77/919474277.db2.gz CTAHJUNXKQQOCK-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517024 919474294 /nfs/dbraw/zinc/47/42/94/919474294.db2.gz CTAHJUNXKQQOCK-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001367563848 919476765 /nfs/dbraw/zinc/47/67/65/919476765.db2.gz GBRSJUXDKGFJNA-GXSJLCMTSA-N 1 1 312.374 -1.579 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1CCOCC1)c1nnnn1C ZINC001367562465 919477605 /nfs/dbraw/zinc/47/76/05/919477605.db2.gz KINMIJPJKKYRKD-MWLCHTKSSA-N 1 1 312.374 -1.236 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@]1(C)CCOC1 ZINC001367544099 919478308 /nfs/dbraw/zinc/47/83/08/919478308.db2.gz DVAZGKIMIFIAGT-ZDUSSCGKSA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@]1(C)CCOC1 ZINC001367544099 919478313 /nfs/dbraw/zinc/47/83/13/919478313.db2.gz DVAZGKIMIFIAGT-ZDUSSCGKSA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O)c1nncn1C ZINC001367566879 919480520 /nfs/dbraw/zinc/48/05/20/919480520.db2.gz NRGASWRRLXYYDN-GHMZBOCLSA-N 1 1 324.385 -1.435 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O)c1nncn1C ZINC001367566889 919480619 /nfs/dbraw/zinc/48/06/19/919480619.db2.gz NRGASWRRLXYYDN-QWRGUYRKSA-N 1 1 324.385 -1.435 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc(C)[nH]2)nn1 ZINC001367575851 919482902 /nfs/dbraw/zinc/48/29/02/919482902.db2.gz CBAAPAFYHVXSIG-LLVKDONJSA-N 1 1 322.373 -1.466 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001367573501 919483518 /nfs/dbraw/zinc/48/35/18/919483518.db2.gz OOWSDLWPYGAOEC-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO COC1(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CCC1 ZINC001367574981 919483969 /nfs/dbraw/zinc/48/39/69/919483969.db2.gz CYDBBKDRIPUGJZ-JTQLQIEISA-N 1 1 312.374 -1.264 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001367571865 919484806 /nfs/dbraw/zinc/48/48/06/919484806.db2.gz FSXSUZPBUQSXHU-GFCCVEGCSA-N 1 1 324.385 -1.004 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367571623 919485007 /nfs/dbraw/zinc/48/50/07/919485007.db2.gz KYODPGGPFJXSBY-PWSUYJOCSA-N 1 1 309.370 -1.124 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367572747 919485073 /nfs/dbraw/zinc/48/50/73/919485073.db2.gz GOLXRVQDZUHZLE-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2ccn(C)n2)n1 ZINC001367577363 919486917 /nfs/dbraw/zinc/48/69/17/919486917.db2.gz FAUXTNQOFLHMJZ-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001367579603 919487282 /nfs/dbraw/zinc/48/72/82/919487282.db2.gz INYINSXCFBSHIW-NSHDSACASA-N 1 1 310.358 -2.140 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001367576007 919488505 /nfs/dbraw/zinc/48/85/05/919488505.db2.gz YZCNLTOBOVBBNW-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)on1 ZINC001367576173 919488786 /nfs/dbraw/zinc/48/87/86/919488786.db2.gz QUDRLNDSPJFOTF-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001367580356 919491546 /nfs/dbraw/zinc/49/15/46/919491546.db2.gz KWHRTAQIYPBIBQ-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001367581080 919491628 /nfs/dbraw/zinc/49/16/28/919491628.db2.gz NJWASETZRRRTQY-NWDGAFQWSA-N 1 1 324.385 -1.296 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001367579791 919492051 /nfs/dbraw/zinc/49/20/51/919492051.db2.gz FMQAOWTYMCSBFV-VXNVDRBHSA-N 1 1 319.387 -1.715 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001367581524 919492276 /nfs/dbraw/zinc/49/22/76/919492276.db2.gz MARLDRGDKGGUKO-GFCCVEGCSA-N 1 1 307.354 -1.478 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001367582578 919492357 /nfs/dbraw/zinc/49/23/57/919492357.db2.gz NAYMQMXXBBEXHS-ZWNOBZJWSA-N 1 1 312.374 -1.672 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367580893 919492448 /nfs/dbraw/zinc/49/24/48/919492448.db2.gz ACEGFVADSBYPFE-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001367583441 919496131 /nfs/dbraw/zinc/49/61/31/919496131.db2.gz QILGTXLEMAPEDA-QWHCGFSZSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)nn1 ZINC001367587775 919497199 /nfs/dbraw/zinc/49/71/99/919497199.db2.gz QCPVFNUODFSOEO-JTQLQIEISA-N 1 1 319.387 -2.091 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)nn1 ZINC001367587786 919498875 /nfs/dbraw/zinc/49/88/75/919498875.db2.gz QCPVFNUODFSOEO-SNVBAGLBSA-N 1 1 319.387 -2.091 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001367586944 919499308 /nfs/dbraw/zinc/49/93/08/919499308.db2.gz WHHQMMMHDATXIG-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CCOC1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001367587381 919499721 /nfs/dbraw/zinc/49/97/21/919499721.db2.gz RSLRKPPXVWJELL-YVNMAJEFSA-N 1 1 312.374 -1.408 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1)c1nnnn1C ZINC001367588202 919502229 /nfs/dbraw/zinc/50/22/29/919502229.db2.gz ZTZVFFAHBUEBMA-MWLCHTKSSA-N 1 1 322.373 -1.686 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001367588538 919503258 /nfs/dbraw/zinc/50/32/58/919503258.db2.gz KMBJSQIITYRSLA-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593225 919504213 /nfs/dbraw/zinc/50/42/13/919504213.db2.gz JNJYCJCHYZPDOZ-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)nn1 ZINC001367592632 919504575 /nfs/dbraw/zinc/50/45/75/919504575.db2.gz HIKATSLCGYTUGY-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)c1cnc[nH]c1=O ZINC001367592465 919504899 /nfs/dbraw/zinc/50/48/99/919504899.db2.gz WJLJWPSZFXEVOL-SSDOTTSWSA-N 1 1 310.339 -1.086 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367591594 919505593 /nfs/dbraw/zinc/50/55/93/919505593.db2.gz ZZQXDANQGOHSJT-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)nn1 ZINC001367592626 919506142 /nfs/dbraw/zinc/50/61/42/919506142.db2.gz HIKATSLCGYTUGY-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001367597576 919509102 /nfs/dbraw/zinc/50/91/02/919509102.db2.gz AZYQHWUVNOKBEF-MNOVXSKESA-N 1 1 324.385 -1.559 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001367597879 919509713 /nfs/dbraw/zinc/50/97/13/919509713.db2.gz LEXOEXHXKCJTHE-KOLCDFICSA-N 1 1 311.342 -1.495 20 0 DAADMO COc1coc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001367599721 919512097 /nfs/dbraw/zinc/51/20/97/919512097.db2.gz NJFUKEUKAKIUDW-SECBINFHSA-N 1 1 324.293 -1.088 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001367600638 919513336 /nfs/dbraw/zinc/51/33/36/919513336.db2.gz CCSDSNOKVHNOTE-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)s1 ZINC001367598569 919513675 /nfs/dbraw/zinc/51/36/75/919513675.db2.gz FZKABAHJAYFKAI-JGVFFNPUSA-N 1 1 314.371 -1.905 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001367600103 919513903 /nfs/dbraw/zinc/51/39/03/919513903.db2.gz NKVTTZNZVHLVGP-IINYFYTJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccccn1 ZINC001367601806 919517384 /nfs/dbraw/zinc/51/73/84/919517384.db2.gz HDMZSIITWYXPJX-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CN[C@@H](C)c1nnnn1C ZINC001367606922 919519909 /nfs/dbraw/zinc/51/99/09/919519909.db2.gz YOJLDOOQKVLZOG-QWRGUYRKSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN[C@H](C)c1nnnn1C ZINC001367606913 919520176 /nfs/dbraw/zinc/52/01/76/919520176.db2.gz YOJLDOOQKVLZOG-GHMZBOCLSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN[C@@H](C)c1nnnn1C ZINC001367606961 919520399 /nfs/dbraw/zinc/52/03/99/919520399.db2.gz YOJLDOOQKVLZOG-WDEREUQCSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)nc1 ZINC001367606778 919521993 /nfs/dbraw/zinc/52/19/93/919521993.db2.gz LPFSFCQJKZKENK-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001367606861 919522030 /nfs/dbraw/zinc/52/20/30/919522030.db2.gz MIGGETJLLPHGNP-WPRPVWTQSA-N 1 1 310.358 -1.600 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cncn2C)nn1 ZINC001367606568 919522294 /nfs/dbraw/zinc/52/22/94/919522294.db2.gz LNXXKRHFOKYZHN-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001367606825 919522729 /nfs/dbraw/zinc/52/27/29/919522729.db2.gz MIGGETJLLPHGNP-PSASIEDQSA-N 1 1 310.358 -1.600 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccnnc1 ZINC001367610122 919523908 /nfs/dbraw/zinc/52/39/08/919523908.db2.gz IWYJRVNFJBAHFE-NSHDSACASA-N 1 1 318.341 -1.322 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001367608919 919525679 /nfs/dbraw/zinc/52/56/79/919525679.db2.gz PKOZENUPEPJSFV-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccnnc2)nn1 ZINC001367610171 919526168 /nfs/dbraw/zinc/52/61/68/919526168.db2.gz JEIGIRDSINOZAG-LBPRGKRZSA-N 1 1 305.342 -1.032 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367607779 919526291 /nfs/dbraw/zinc/52/62/91/919526291.db2.gz NDVPUUXCQGNTGO-SECBINFHSA-N 1 1 322.373 -1.234 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ccnnc1 ZINC001367613178 919527829 /nfs/dbraw/zinc/52/78/29/919527829.db2.gz PJKAHTCGKAFQDG-LLVKDONJSA-N 1 1 323.332 -1.082 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001367613053 919529280 /nfs/dbraw/zinc/52/92/80/919529280.db2.gz OYNWUHQPMIBVKT-NEPJUHHUSA-N 1 1 319.369 -1.202 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)Cc1nonc1C ZINC001367616881 919531372 /nfs/dbraw/zinc/53/13/72/919531372.db2.gz OATXAIYHYITERS-VIFPVBQESA-N 1 1 310.314 -1.121 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001367621515 919536579 /nfs/dbraw/zinc/53/65/79/919536579.db2.gz KTLAFMMKBOLUFA-SECBINFHSA-N 1 1 308.346 -1.775 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367625458 919540661 /nfs/dbraw/zinc/54/06/61/919540661.db2.gz QRZUZVNRIAOFII-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367625458 919540671 /nfs/dbraw/zinc/54/06/71/919540671.db2.gz QRZUZVNRIAOFII-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNCc1ncnn1C ZINC001367624806 919541374 /nfs/dbraw/zinc/54/13/74/919541374.db2.gz NEKDTXTUWYJDFW-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001367626611 919541502 /nfs/dbraw/zinc/54/15/02/919541502.db2.gz ZXOIDGXUJMYABV-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001367626611 919541512 /nfs/dbraw/zinc/54/15/12/919541512.db2.gz ZXOIDGXUJMYABV-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCN2CCCC2=O)n1 ZINC001367630446 919543162 /nfs/dbraw/zinc/54/31/62/919543162.db2.gz KYPJXFPYYYNLGA-GFCCVEGCSA-N 1 1 324.385 -1.606 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001367628669 919544124 /nfs/dbraw/zinc/54/41/24/919544124.db2.gz GLVHDKWIBRGHRX-SECBINFHSA-N 1 1 301.372 -1.232 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001367628400 919544724 /nfs/dbraw/zinc/54/47/24/919544724.db2.gz YEXJJYXVDLYHHE-GHMZBOCLSA-N 1 1 322.373 -1.457 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)n2)nn1 ZINC001367630256 919545373 /nfs/dbraw/zinc/54/53/73/919545373.db2.gz ZPSZFQIWHFPZMJ-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001367631416 919546585 /nfs/dbraw/zinc/54/65/85/919546585.db2.gz OXBMLXPCTWOXRC-MRVPVSSYSA-N 1 1 320.375 -3.069 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001367645333 919548630 /nfs/dbraw/zinc/54/86/30/919548630.db2.gz ALFTTYONOOCXPM-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001367645333 919548638 /nfs/dbraw/zinc/54/86/38/919548638.db2.gz ALFTTYONOOCXPM-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001367632670 919548963 /nfs/dbraw/zinc/54/89/63/919548963.db2.gz VICHVQJTDGGMCI-VIFPVBQESA-N 1 1 317.371 -2.408 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367670562 919549928 /nfs/dbraw/zinc/54/99/28/919549928.db2.gz XSZFIQIWGYWDTI-QWRGUYRKSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367662405 919550385 /nfs/dbraw/zinc/55/03/85/919550385.db2.gz LQQUFUPVBJUWRY-VHSXEESVSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)CN1CCOCC1 ZINC001367681560 919553595 /nfs/dbraw/zinc/55/35/95/919553595.db2.gz USMOTABOKBKXNK-LLVKDONJSA-N 1 1 300.403 -1.076 20 0 DAADMO CO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001367686773 919553889 /nfs/dbraw/zinc/55/38/89/919553889.db2.gz LOGNOIRBXIUMKY-BXKDBHETSA-N 1 1 322.373 -1.074 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)CS(=O)(=O)N(C)C ZINC001367712434 919558823 /nfs/dbraw/zinc/55/88/23/919558823.db2.gz RMRHLZSCUIWKPB-SNVBAGLBSA-N 1 1 315.399 -1.038 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001367714966 919559123 /nfs/dbraw/zinc/55/91/23/919559123.db2.gz GQCLXZBITKJBLC-HTQZYQBOSA-N 1 1 318.403 -1.182 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001367771905 919569555 /nfs/dbraw/zinc/56/95/55/919569555.db2.gz RMYGUNRZUVHRMH-VHSXEESVSA-N 1 1 313.383 -1.237 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367775148 919570505 /nfs/dbraw/zinc/57/05/05/919570505.db2.gz ZIXUIZMRMXMPMJ-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001367762209 919571371 /nfs/dbraw/zinc/57/13/71/919571371.db2.gz GVCQGTNDZUPLES-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccn(C)n1 ZINC001367808351 919573175 /nfs/dbraw/zinc/57/31/75/919573175.db2.gz XIJMLXXBOLGFNG-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccn(C)n1 ZINC001367808351 919573180 /nfs/dbraw/zinc/57/31/80/919573180.db2.gz XIJMLXXBOLGFNG-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001367830312 919573429 /nfs/dbraw/zinc/57/34/29/919573429.db2.gz HVXKEHOBMSBIGL-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001367830312 919573444 /nfs/dbraw/zinc/57/34/44/919573444.db2.gz HVXKEHOBMSBIGL-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1nccn1C ZINC001367824527 919573483 /nfs/dbraw/zinc/57/34/83/919573483.db2.gz LHGFWQJIXAXOQS-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1nccn1C ZINC001367824527 919573502 /nfs/dbraw/zinc/57/35/02/919573502.db2.gz LHGFWQJIXAXOQS-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367825677 919575942 /nfs/dbraw/zinc/57/59/42/919575942.db2.gz HDIYTVIQTRDRMF-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367825677 919575950 /nfs/dbraw/zinc/57/59/50/919575950.db2.gz HDIYTVIQTRDRMF-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367825679 919576256 /nfs/dbraw/zinc/57/62/56/919576256.db2.gz HDIYTVIQTRDRMF-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367825679 919576264 /nfs/dbraw/zinc/57/62/64/919576264.db2.gz HDIYTVIQTRDRMF-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001367837882 919577212 /nfs/dbraw/zinc/57/72/12/919577212.db2.gz JGOKAISEYKBSID-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001367837882 919577223 /nfs/dbraw/zinc/57/72/23/919577223.db2.gz JGOKAISEYKBSID-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccncn1 ZINC001367850860 919577628 /nfs/dbraw/zinc/57/76/28/919577628.db2.gz PRGCAULFDRGWKN-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccncn1 ZINC001367850860 919577642 /nfs/dbraw/zinc/57/76/42/919577642.db2.gz PRGCAULFDRGWKN-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001367836075 919577850 /nfs/dbraw/zinc/57/78/50/919577850.db2.gz ZFWAFODWLAHBPR-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001367836075 919577857 /nfs/dbraw/zinc/57/78/57/919577857.db2.gz ZFWAFODWLAHBPR-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367844214 919578379 /nfs/dbraw/zinc/57/83/79/919578379.db2.gz FTZLPDMXKHAVBU-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001367857273 919578755 /nfs/dbraw/zinc/57/87/55/919578755.db2.gz ZKARVWITSOLTPT-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1nnn(C)n1 ZINC001367843332 919579528 /nfs/dbraw/zinc/57/95/28/919579528.db2.gz YYXBOSSDUWGXNW-VIFPVBQESA-N 1 1 310.362 -1.715 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367847630 919579777 /nfs/dbraw/zinc/57/97/77/919579777.db2.gz PFFINHHESZVAGJ-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367847630 919579791 /nfs/dbraw/zinc/57/97/91/919579791.db2.gz PFFINHHESZVAGJ-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870883 919581580 /nfs/dbraw/zinc/58/15/80/919581580.db2.gz VBRIUTKDJFFSKS-UWVGGRQHSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870883 919581594 /nfs/dbraw/zinc/58/15/94/919581594.db2.gz VBRIUTKDJFFSKS-UWVGGRQHSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887833 919582258 /nfs/dbraw/zinc/58/22/58/919582258.db2.gz RWAXHGYLJUZIDD-WDEREUQCSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887833 919582269 /nfs/dbraw/zinc/58/22/69/919582269.db2.gz RWAXHGYLJUZIDD-WDEREUQCSA-N 1 1 311.386 -2.257 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](NC(=O)c2nnn(C)n2)C2CC2)[nH]1 ZINC001367903076 919584332 /nfs/dbraw/zinc/58/43/32/919584332.db2.gz GOPRGOPHJZYPFJ-SECBINFHSA-N 1 1 305.346 -1.065 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922954 919585123 /nfs/dbraw/zinc/58/51/23/919585123.db2.gz KGDXSUYUFCSXFC-WCQYABFASA-N 1 1 312.414 -1.076 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)c2nnn(C)n2)C2CC2)n1 ZINC001367912012 919585638 /nfs/dbraw/zinc/58/56/38/919585638.db2.gz XEBZSCVNQRSVTN-JTQLQIEISA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)CCNC(N)=O)C2CC2)n1 ZINC001367922040 919586559 /nfs/dbraw/zinc/58/65/59/919586559.db2.gz YUEXSXAUFYNAJT-LLVKDONJSA-N 1 1 309.374 -1.142 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001367942871 919589256 /nfs/dbraw/zinc/58/92/56/919589256.db2.gz FHBDRAGXDKXNES-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001367942201 919589425 /nfs/dbraw/zinc/58/94/25/919589425.db2.gz XNQQASAFTPAFAG-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001367942876 919591003 /nfs/dbraw/zinc/59/10/03/919591003.db2.gz FHBDRAGXDKXNES-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCOC2)CC1=O ZINC001367954000 919592736 /nfs/dbraw/zinc/59/27/36/919592736.db2.gz FOCLNKQUVFZXHS-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367954059 919594018 /nfs/dbraw/zinc/59/40/18/919594018.db2.gz GCSNKTXPBHSFQA-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCOC2)CC1=O ZINC001367953997 919594330 /nfs/dbraw/zinc/59/43/30/919594330.db2.gz FOCLNKQUVFZXHS-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ccnc1C[NH2+]C1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001368028561 919604635 /nfs/dbraw/zinc/60/46/35/919604635.db2.gz GCXQYMAJMARFPN-VIFPVBQESA-N 1 1 320.353 -1.243 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001368029114 919607567 /nfs/dbraw/zinc/60/75/67/919607567.db2.gz WMHGDPGYWLEXBP-UHFFFAOYSA-N 1 1 324.385 -1.239 20 0 DAADMO Cn1cnc(C(=O)NC2(C)CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001368121216 919616934 /nfs/dbraw/zinc/61/69/34/919616934.db2.gz PMMNBSLLJHFBPR-UHFFFAOYSA-N 1 1 323.357 -1.406 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001368125701 919619975 /nfs/dbraw/zinc/61/99/75/919619975.db2.gz XZGWWYLBIXRWDM-UHFFFAOYSA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001368152437 919621228 /nfs/dbraw/zinc/62/12/28/919621228.db2.gz LFXCKEIXPWLQLX-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001368152437 919621239 /nfs/dbraw/zinc/62/12/39/919621239.db2.gz LFXCKEIXPWLQLX-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1ccc(CC(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001368150522 919621382 /nfs/dbraw/zinc/62/13/82/919621382.db2.gz HKJGAGYVECRAPA-AWEZNQCLSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1ccc(CC(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001368150522 919621395 /nfs/dbraw/zinc/62/13/95/919621395.db2.gz HKJGAGYVECRAPA-AWEZNQCLSA-N 1 1 322.369 -1.262 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368159636 919622261 /nfs/dbraw/zinc/62/22/61/919622261.db2.gz GLEJVDNLDKUAML-IINYFYTJSA-N 1 1 310.354 -1.029 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001368146031 919622775 /nfs/dbraw/zinc/62/27/75/919622775.db2.gz CAQIIJRWTAYFCC-RISCZKNCSA-N 1 1 316.402 -1.107 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368160153 919622855 /nfs/dbraw/zinc/62/28/55/919622855.db2.gz WAWPLXQKWQJKFI-QMTHXVAHSA-N 1 1 324.385 -1.008 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368160149 919622928 /nfs/dbraw/zinc/62/29/28/919622928.db2.gz WAWPLXQKWQJKFI-HZMBPMFUSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)C2CC2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368156706 919623892 /nfs/dbraw/zinc/62/38/92/919623892.db2.gz MCNHPADCAUEWBY-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)C2CC2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368156706 919623896 /nfs/dbraw/zinc/62/38/96/919623896.db2.gz MCNHPADCAUEWBY-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+](CCCO)C1 ZINC001368185587 919626331 /nfs/dbraw/zinc/62/63/31/919626331.db2.gz XHSMXJRWOLNHAC-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(NCC1([NH2+]Cc2cnon2)CCOCC1)[C@H]1CNC(=O)N1 ZINC001368235068 919626574 /nfs/dbraw/zinc/62/65/74/919626574.db2.gz ZDAQORIDEXBZLU-SNVBAGLBSA-N 1 1 324.341 -1.494 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001368173387 919627209 /nfs/dbraw/zinc/62/72/09/919627209.db2.gz GYLNBADPLHNERY-IINYFYTJSA-N 1 1 312.370 -1.110 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368180680 919627294 /nfs/dbraw/zinc/62/72/94/919627294.db2.gz UBFDKEXZNIHEOV-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368180682 919627479 /nfs/dbraw/zinc/62/74/79/919627479.db2.gz UBFDKEXZNIHEOV-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001368191888 919627613 /nfs/dbraw/zinc/62/76/13/919627613.db2.gz CLCRHLJDEYKFJS-ZDUSSCGKSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(C)CCC[N@@H+](CCO)C2)c1=O ZINC001368226873 919627838 /nfs/dbraw/zinc/62/78/38/919627838.db2.gz JGLNGBPVLJLCFD-CQSZACIVSA-N 1 1 311.386 -1.208 20 0 DAADMO O=C(NCC1([NH2+]CCn2cncn2)CCOCC1)c1cnn[nH]1 ZINC001368229412 919628449 /nfs/dbraw/zinc/62/84/49/919628449.db2.gz FYPQLTZGUAAXDE-UHFFFAOYSA-N 1 1 320.357 -1.035 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cccn3)C2)C1=O ZINC001368240236 919630567 /nfs/dbraw/zinc/63/05/67/919630567.db2.gz HSZZFEFYKXGOKV-WFASDCNBSA-N 1 1 321.381 -1.333 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001368244586 919632734 /nfs/dbraw/zinc/63/27/34/919632734.db2.gz JTWRQQSMVIQGPF-BXUZGUMPSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001368244586 919632750 /nfs/dbraw/zinc/63/27/50/919632750.db2.gz JTWRQQSMVIQGPF-BXUZGUMPSA-N 1 1 307.354 -1.227 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001368240726 919632971 /nfs/dbraw/zinc/63/29/71/919632971.db2.gz UTBLRCYRHKRUBV-RISCZKNCSA-N 1 1 312.370 -2.094 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)o1 ZINC001368248590 919634452 /nfs/dbraw/zinc/63/44/52/919634452.db2.gz SINQYCKROWXSRB-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)o1 ZINC001368248590 919634462 /nfs/dbraw/zinc/63/44/62/919634462.db2.gz SINQYCKROWXSRB-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368246026 919634562 /nfs/dbraw/zinc/63/45/62/919634562.db2.gz HNSGREKULIVLQU-FZMZJTMJSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368246026 919634575 /nfs/dbraw/zinc/63/45/75/919634575.db2.gz HNSGREKULIVLQU-FZMZJTMJSA-N 1 1 307.354 -1.606 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)o1 ZINC001368249776 919634717 /nfs/dbraw/zinc/63/47/17/919634717.db2.gz LWHWDHAOIQCKFT-SWLSCSKDSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)o1 ZINC001368249776 919634726 /nfs/dbraw/zinc/63/47/26/919634726.db2.gz LWHWDHAOIQCKFT-SWLSCSKDSA-N 1 1 322.365 -1.033 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001368246166 919635133 /nfs/dbraw/zinc/63/51/33/919635133.db2.gz DHUCXRJMXIWCAQ-TZMCWYRMSA-N 1 1 301.387 -1.748 20 0 DAADMO CCC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001368248522 919635270 /nfs/dbraw/zinc/63/52/70/919635270.db2.gz JYZMXOXGYSAVQX-ZYHUDNBSSA-N 1 1 323.415 -2.011 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001368245374 919635377 /nfs/dbraw/zinc/63/53/77/919635377.db2.gz LDQPPMJLVPBFFQ-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001368245374 919635386 /nfs/dbraw/zinc/63/53/86/919635386.db2.gz LDQPPMJLVPBFFQ-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001368245655 919636320 /nfs/dbraw/zinc/63/63/20/919636320.db2.gz MNWIJSQDDDCAEU-SMDDNHRTSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368244942 919636935 /nfs/dbraw/zinc/63/69/35/919636935.db2.gz KPOLYPBZPBCRFC-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368244942 919636946 /nfs/dbraw/zinc/63/69/46/919636946.db2.gz KPOLYPBZPBCRFC-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001368245652 919637296 /nfs/dbraw/zinc/63/72/96/919637296.db2.gz MNWIJSQDDDCAEU-RISCZKNCSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368252950 919638978 /nfs/dbraw/zinc/63/89/78/919638978.db2.gz FFDWFEZNESAQBY-UKRRQHHQSA-N 1 1 322.413 -1.038 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001368251811 919639187 /nfs/dbraw/zinc/63/91/87/919639187.db2.gz PSVGICZKUGKJPS-IUODEOHRSA-N 1 1 321.381 -1.264 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001368253591 919639287 /nfs/dbraw/zinc/63/92/87/919639287.db2.gz IZGPWJOWVXMSTP-BXUZGUMPSA-N 1 1 309.370 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001368253591 919639297 /nfs/dbraw/zinc/63/92/97/919639297.db2.gz IZGPWJOWVXMSTP-BXUZGUMPSA-N 1 1 309.370 -1.257 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001368253907 919639668 /nfs/dbraw/zinc/63/96/68/919639668.db2.gz RIIMQLRHZYBNKM-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001368253907 919639683 /nfs/dbraw/zinc/63/96/83/919639683.db2.gz RIIMQLRHZYBNKM-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256209 919640095 /nfs/dbraw/zinc/64/00/95/919640095.db2.gz JMEFGKSSYPWVGQ-SDBXPKJASA-N 1 1 311.342 -1.834 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256209 919640110 /nfs/dbraw/zinc/64/01/10/919640110.db2.gz JMEFGKSSYPWVGQ-SDBXPKJASA-N 1 1 311.342 -1.834 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368257141 919640572 /nfs/dbraw/zinc/64/05/72/919640572.db2.gz KWIFMBAEPOIUCM-AWEZNQCLSA-N 1 1 309.370 -1.311 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368257141 919640580 /nfs/dbraw/zinc/64/05/80/919640580.db2.gz KWIFMBAEPOIUCM-AWEZNQCLSA-N 1 1 309.370 -1.311 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256189 919640770 /nfs/dbraw/zinc/64/07/70/919640770.db2.gz JMEFGKSSYPWVGQ-ISVAXAHUSA-N 1 1 311.342 -1.834 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256189 919640778 /nfs/dbraw/zinc/64/07/78/919640778.db2.gz JMEFGKSSYPWVGQ-ISVAXAHUSA-N 1 1 311.342 -1.834 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001368254753 919641084 /nfs/dbraw/zinc/64/10/84/919641084.db2.gz XPNJKGDEWJZRPC-NHYWBVRUSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368252866 919641102 /nfs/dbraw/zinc/64/11/02/919641102.db2.gz DMMPPBZDSFSEON-YGRLFVJLSA-N 1 1 320.353 -1.328 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001368251803 919641147 /nfs/dbraw/zinc/64/11/47/919641147.db2.gz PSVGICZKUGKJPS-DOMZBBRYSA-N 1 1 321.381 -1.264 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001368252374 919641218 /nfs/dbraw/zinc/64/12/18/919641218.db2.gz FURZKMLNDVJWIJ-LKFCYVNXSA-N 1 1 323.353 -1.517 20 0 DAADMO CC[C@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001368252247 919641519 /nfs/dbraw/zinc/64/15/19/919641519.db2.gz CIQCPBQMMPOPEJ-ZANVPECISA-N 1 1 318.349 -1.257 20 0 DAADMO CC[C@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001368252247 919641528 /nfs/dbraw/zinc/64/15/28/919641528.db2.gz CIQCPBQMMPOPEJ-ZANVPECISA-N 1 1 318.349 -1.257 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)NC1=O ZINC001368257756 919643214 /nfs/dbraw/zinc/64/32/14/919643214.db2.gz NECKDBGTGMQHLJ-MFKMUULPSA-N 1 1 302.350 -1.077 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368261740 919643550 /nfs/dbraw/zinc/64/35/50/919643550.db2.gz PFLBPZVCZXRGPP-OAHLLOKOSA-N 1 1 324.381 -1.031 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001368260266 919643830 /nfs/dbraw/zinc/64/38/30/919643830.db2.gz CRVMBCHOPYWWNI-QCPCCJPKSA-N 1 1 323.393 -1.338 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001368259086 919644545 /nfs/dbraw/zinc/64/45/45/919644545.db2.gz VTGSQZKDHYZENS-GWCFXTLKSA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001368259086 919644553 /nfs/dbraw/zinc/64/45/53/919644553.db2.gz VTGSQZKDHYZENS-GWCFXTLKSA-N 1 1 310.358 -1.862 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368262123 919644580 /nfs/dbraw/zinc/64/45/80/919644580.db2.gz PJAMLAWEWRMERQ-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3cccnc23)C1 ZINC001368257779 919644998 /nfs/dbraw/zinc/64/49/98/919644998.db2.gz NJQOWLHKMWFUFK-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3cccnc23)C1 ZINC001368257779 919645013 /nfs/dbraw/zinc/64/50/13/919645013.db2.gz NJQOWLHKMWFUFK-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368262186 919645358 /nfs/dbraw/zinc/64/53/58/919645358.db2.gz VPRIPFNWZJUDLZ-ZDUSSCGKSA-N 1 1 319.325 -2.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368262186 919645368 /nfs/dbraw/zinc/64/53/68/919645368.db2.gz VPRIPFNWZJUDLZ-ZDUSSCGKSA-N 1 1 319.325 -2.224 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368259212 919645893 /nfs/dbraw/zinc/64/58/93/919645893.db2.gz YGVYFCQSTYBEJT-JSGCOSHPSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368265415 919647645 /nfs/dbraw/zinc/64/76/45/919647645.db2.gz YUGCNYAIKNBBID-ONGXEEELSA-N 1 1 309.388 -2.531 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001368270134 919648395 /nfs/dbraw/zinc/64/83/95/919648395.db2.gz BMNUOIWJQYVWTI-XPTSAGLGSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001368270134 919648405 /nfs/dbraw/zinc/64/84/05/919648405.db2.gz BMNUOIWJQYVWTI-XPTSAGLGSA-N 1 1 314.386 -1.672 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001368268420 919649787 /nfs/dbraw/zinc/64/97/87/919649787.db2.gz BNZXGWQYWHPVOX-RISCZKNCSA-N 1 1 312.370 -1.108 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cccnc3)C2)n1 ZINC001368265846 919650080 /nfs/dbraw/zinc/65/00/80/919650080.db2.gz MLKOVTIAJDMVJE-CQSZACIVSA-N 1 1 317.353 -1.028 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001368265034 919650239 /nfs/dbraw/zinc/65/02/39/919650239.db2.gz SZYRVPRZWOSQGO-ZDUSSCGKSA-N 1 1 313.358 -2.560 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001368265034 919650251 /nfs/dbraw/zinc/65/02/51/919650251.db2.gz SZYRVPRZWOSQGO-ZDUSSCGKSA-N 1 1 313.358 -2.560 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368270592 919650471 /nfs/dbraw/zinc/65/04/71/919650471.db2.gz ZNHKETLJXZUWSM-OUJBWJOFSA-N 1 1 318.374 -2.397 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368267846 919650601 /nfs/dbraw/zinc/65/06/01/919650601.db2.gz WYPNIDOXPFXPMT-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)ccc2=O)C1 ZINC001368265681 919651330 /nfs/dbraw/zinc/65/13/30/919651330.db2.gz MUHUJLWCLQNECQ-IAQYHMDHSA-N 1 1 309.366 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001368265269 919651602 /nfs/dbraw/zinc/65/16/02/919651602.db2.gz NBDXESNTGBFUQS-DZGCQCFKSA-N 1 1 324.381 -1.041 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274077 919653880 /nfs/dbraw/zinc/65/38/80/919653880.db2.gz BXWKGTRCTYXFCJ-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274077 919653889 /nfs/dbraw/zinc/65/38/89/919653889.db2.gz BXWKGTRCTYXFCJ-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cc2ncccn2n1 ZINC001368271039 919654097 /nfs/dbraw/zinc/65/40/97/919654097.db2.gz DKGWXQLMQIEQAM-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001368273177 919654313 /nfs/dbraw/zinc/65/43/13/919654313.db2.gz ACKXUYAOBUCJTF-YGRLFVJLSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001368273177 919654322 /nfs/dbraw/zinc/65/43/22/919654322.db2.gz ACKXUYAOBUCJTF-YGRLFVJLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275172 919654873 /nfs/dbraw/zinc/65/48/73/919654873.db2.gz YRCFRWRFMSYGMK-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275172 919654886 /nfs/dbraw/zinc/65/48/86/919654886.db2.gz YRCFRWRFMSYGMK-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001368276138 919654990 /nfs/dbraw/zinc/65/49/90/919654990.db2.gz LUMBSGQZOBUEIB-ZUZCIYMTSA-N 1 1 322.365 -1.272 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001368274789 919655848 /nfs/dbraw/zinc/65/58/48/919655848.db2.gz UAUCADMOXBZZOT-SMDDNHRTSA-N 1 1 312.370 -1.488 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001368276035 919656771 /nfs/dbraw/zinc/65/67/71/919656771.db2.gz MQASHXGMIJMIHC-AAEUAGOBSA-N 1 1 320.411 -1.237 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001368276035 919656784 /nfs/dbraw/zinc/65/67/84/919656784.db2.gz MQASHXGMIJMIHC-AAEUAGOBSA-N 1 1 320.411 -1.237 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccncn1 ZINC001368271935 919657020 /nfs/dbraw/zinc/65/70/20/919657020.db2.gz IVTFTXMJOBVXCJ-DOMZBBRYSA-N 1 1 319.365 -1.078 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001368278439 919658641 /nfs/dbraw/zinc/65/86/41/919658641.db2.gz QJUPXUXFYQYBGP-CYBMUJFWSA-N 1 1 310.358 -1.660 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001368278439 919658650 /nfs/dbraw/zinc/65/86/50/919658650.db2.gz QJUPXUXFYQYBGP-CYBMUJFWSA-N 1 1 310.358 -1.660 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)cn1 ZINC001368277042 919658678 /nfs/dbraw/zinc/65/86/78/919658678.db2.gz QFVSAWBVUCORLP-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001368278013 919659733 /nfs/dbraw/zinc/65/97/33/919659733.db2.gz PIPRQBSZMCKSLK-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3ccnc3)C2)C1=O ZINC001368276525 919660188 /nfs/dbraw/zinc/66/01/88/919660188.db2.gz OJASQMZINHJKHF-IUODEOHRSA-N 1 1 321.381 -1.333 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001368277796 919660996 /nfs/dbraw/zinc/66/09/96/919660996.db2.gz SPOPKQHDLUKNOS-ZYHUDNBSSA-N 1 1 305.400 -1.361 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001368277788 919661105 /nfs/dbraw/zinc/66/11/05/919661105.db2.gz SPOPKQHDLUKNOS-JQWIXIFHSA-N 1 1 305.400 -1.361 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368284585 919662864 /nfs/dbraw/zinc/66/28/64/919662864.db2.gz JHGTYDRQIJFLGO-CQSZACIVSA-N 1 1 322.369 -1.937 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368284585 919662875 /nfs/dbraw/zinc/66/28/75/919662875.db2.gz JHGTYDRQIJFLGO-CQSZACIVSA-N 1 1 322.369 -1.937 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368285472 919663022 /nfs/dbraw/zinc/66/30/22/919663022.db2.gz LCXZKKKYVIUVPT-YGRLFVJLSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368284584 919663339 /nfs/dbraw/zinc/66/33/39/919663339.db2.gz JHGTYDRQIJFLGO-AWEZNQCLSA-N 1 1 322.369 -1.937 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368284584 919663348 /nfs/dbraw/zinc/66/33/48/919663348.db2.gz JHGTYDRQIJFLGO-AWEZNQCLSA-N 1 1 322.369 -1.937 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368286027 919663828 /nfs/dbraw/zinc/66/38/28/919663828.db2.gz COIKVDGAYRNIQS-LLVKDONJSA-N 1 1 308.386 -1.428 20 0 DAADMO Cc1cnc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001368288964 919666325 /nfs/dbraw/zinc/66/63/25/919666325.db2.gz PMHKLDVCBDJUPA-GFCCVEGCSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cnc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001368288964 919666328 /nfs/dbraw/zinc/66/63/28/919666328.db2.gz PMHKLDVCBDJUPA-GFCCVEGCSA-N 1 1 324.381 -1.023 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC(=O)NC(N)=O)C1 ZINC001368286304 919666677 /nfs/dbraw/zinc/66/66/77/919666677.db2.gz DREAIYNIZVSHGU-VIFPVBQESA-N 1 1 313.358 -2.562 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CCC(=O)N1 ZINC001368287103 919667026 /nfs/dbraw/zinc/66/70/26/919667026.db2.gz GYHHINDSIXRMJQ-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001368292212 919670051 /nfs/dbraw/zinc/67/00/51/919670051.db2.gz YLIJCXBSOOFKLC-RISCZKNCSA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368292274 919670655 /nfs/dbraw/zinc/67/06/55/919670655.db2.gz YOEACNRPECSCOS-UKRRQHHQSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368292274 919670664 /nfs/dbraw/zinc/67/06/64/919670664.db2.gz YOEACNRPECSCOS-UKRRQHHQSA-N 1 1 315.414 -1.500 20 0 DAADMO O=C(CO[C@H]1CCOC1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001368293897 919673835 /nfs/dbraw/zinc/67/38/35/919673835.db2.gz FIISGSWKFZJIHO-STQMWFEESA-N 1 1 314.382 -1.009 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368298989 919676073 /nfs/dbraw/zinc/67/60/73/919676073.db2.gz ARBNUQVOWUZUMZ-NWDGAFQWSA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001368295970 919676899 /nfs/dbraw/zinc/67/68/99/919676899.db2.gz WLENMOSLSISGGM-DGCLKSJQSA-N 1 1 324.425 -1.232 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCCC(=O)N1 ZINC001368300977 919678553 /nfs/dbraw/zinc/67/85/53/919678553.db2.gz HUUBFQKUIXGZTC-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368301494 919680357 /nfs/dbraw/zinc/68/03/57/919680357.db2.gz QRWBIOJZXJKDOH-UHFFFAOYSA-N 1 1 322.413 -1.038 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001368307508 919686224 /nfs/dbraw/zinc/68/62/24/919686224.db2.gz URAZPZBXPUKBBB-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3nncn3C)C2)C1 ZINC001368313379 919689457 /nfs/dbraw/zinc/68/94/57/919689457.db2.gz DYNOWBACOPUTDU-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001368315959 919691433 /nfs/dbraw/zinc/69/14/33/919691433.db2.gz XRIYQPMJARJJFE-UHFFFAOYSA-N 1 1 323.397 -1.119 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@H](C)C(=O)NC)C1 ZINC001368320634 919694725 /nfs/dbraw/zinc/69/47/25/919694725.db2.gz MDQXYAQDWGXROI-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001368319886 919695162 /nfs/dbraw/zinc/69/51/62/919695162.db2.gz FNJHRIMWSVRHJG-UHFFFAOYSA-N 1 1 310.354 -1.499 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(Cc2nncn2C)C1 ZINC001368319462 919696363 /nfs/dbraw/zinc/69/63/63/919696363.db2.gz HJGIOACOCZLPBW-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c1=O ZINC001368325912 919698986 /nfs/dbraw/zinc/69/89/86/919698986.db2.gz JYWDDIRYYZPNBH-XQQFMLRXSA-N 1 1 323.397 -1.067 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C1 ZINC001368358370 919701173 /nfs/dbraw/zinc/70/11/73/919701173.db2.gz RPCJKMUVUYPBPS-GARJFASQSA-N 1 1 312.370 -1.133 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1 ZINC001368356449 919701445 /nfs/dbraw/zinc/70/14/45/919701445.db2.gz GQEFAQAYBSEQDG-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO Cc1nc[nH]c1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001368358939 919701762 /nfs/dbraw/zinc/70/17/62/919701762.db2.gz NLUDITOOTPPBSO-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2C1 ZINC001368354523 919701954 /nfs/dbraw/zinc/70/19/54/919701954.db2.gz AVUMIGPWHCWWEP-AOOOYVTPSA-N 1 1 320.353 -1.463 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2C1 ZINC001368354523 919701966 /nfs/dbraw/zinc/70/19/66/919701966.db2.gz AVUMIGPWHCWWEP-AOOOYVTPSA-N 1 1 320.353 -1.463 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2C1 ZINC001368354523 919701978 /nfs/dbraw/zinc/70/19/78/919701978.db2.gz AVUMIGPWHCWWEP-AOOOYVTPSA-N 1 1 320.353 -1.463 20 0 DAADMO CC[C@@H]([NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1)C(N)=O ZINC001368360881 919702127 /nfs/dbraw/zinc/70/21/27/919702127.db2.gz QXHGLTWKYPUQBF-LLVKDONJSA-N 1 1 323.401 -1.148 20 0 DAADMO CC[C@@H]([NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1)C(N)=O ZINC001368360881 919702141 /nfs/dbraw/zinc/70/21/41/919702141.db2.gz QXHGLTWKYPUQBF-LLVKDONJSA-N 1 1 323.401 -1.148 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001368357168 919702321 /nfs/dbraw/zinc/70/23/21/919702321.db2.gz OHYFHRKSFIKCAO-YFKTTZPYSA-N 1 1 323.397 -1.336 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001368357167 919702636 /nfs/dbraw/zinc/70/26/36/919702636.db2.gz OHYFHRKSFIKCAO-NNYUYHANSA-N 1 1 323.397 -1.336 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001368358570 919703065 /nfs/dbraw/zinc/70/30/65/919703065.db2.gz KPYHMOAHZFDQOH-PHIMTYICSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)nn1 ZINC001368358037 919703297 /nfs/dbraw/zinc/70/32/97/919703297.db2.gz UBAJRFWOHNRGOC-DTORHVGOSA-N 1 1 321.341 -1.986 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)n1 ZINC001368354752 919703624 /nfs/dbraw/zinc/70/36/24/919703624.db2.gz FJBKWBJXCAVULF-DTORHVGOSA-N 1 1 321.341 -1.986 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1)C(N)=O ZINC001368354576 919703680 /nfs/dbraw/zinc/70/36/80/919703680.db2.gz DFRFLFJGTHZDFK-TUAOUCFPSA-N 1 1 314.361 -1.274 20 0 DAADMO COC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001368367462 919704983 /nfs/dbraw/zinc/70/49/83/919704983.db2.gz OKEMNPQLVLNBNB-ZDUSSCGKSA-N 1 1 303.359 -1.332 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(CO)CCC[N@@H+](CC3CC3)C2)c1=O ZINC001368372471 919707144 /nfs/dbraw/zinc/70/71/44/919707144.db2.gz HMDYHWMJSOLLPH-OAHLLOKOSA-N 1 1 323.397 -1.065 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001368383070 919708435 /nfs/dbraw/zinc/70/84/35/919708435.db2.gz UCUKNPAHIOVWJW-LBPRGKRZSA-N 1 1 323.415 -2.187 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368383070 919708447 /nfs/dbraw/zinc/70/84/47/919708447.db2.gz UCUKNPAHIOVWJW-LBPRGKRZSA-N 1 1 323.415 -2.187 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001368383171 919708487 /nfs/dbraw/zinc/70/84/87/919708487.db2.gz BONLHLZRVACTMB-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001368380073 919709023 /nfs/dbraw/zinc/70/90/23/919709023.db2.gz OGTWIVIFZKNGGT-GXTWGEPZSA-N 1 1 317.386 -1.927 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001368380077 919710117 /nfs/dbraw/zinc/71/01/17/919710117.db2.gz OGTWIVIFZKNGGT-OCCSQVGLSA-N 1 1 317.386 -1.927 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001368380076 919711109 /nfs/dbraw/zinc/71/11/09/919711109.db2.gz OGTWIVIFZKNGGT-JSGCOSHPSA-N 1 1 317.386 -1.927 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001368396085 919713440 /nfs/dbraw/zinc/71/34/40/919713440.db2.gz UOZNWDHFFDLTPH-GFCCVEGCSA-N 1 1 309.370 -1.407 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCc2nncn2C1 ZINC001368392079 919715146 /nfs/dbraw/zinc/71/51/46/919715146.db2.gz OGEQJRRJYBQACE-IUODEOHRSA-N 1 1 323.397 -1.224 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001368396087 919716200 /nfs/dbraw/zinc/71/62/00/919716200.db2.gz UOZNWDHFFDLTPH-LBPRGKRZSA-N 1 1 309.370 -1.407 20 0 DAADMO Cc1nn(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCO)c(=O)n1C ZINC001368438356 919721644 /nfs/dbraw/zinc/72/16/44/919721644.db2.gz UBNYACZVXPMWSH-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001368505514 919732433 /nfs/dbraw/zinc/73/24/33/919732433.db2.gz MQZLMUBFNKIIHI-VHSXEESVSA-N 1 1 310.358 -1.322 20 0 DAADMO CC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001368525508 919737362 /nfs/dbraw/zinc/73/73/62/919737362.db2.gz PPBDRXRGRBNVKH-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001368558722 919739042 /nfs/dbraw/zinc/73/90/42/919739042.db2.gz URXDTHZTHUQMLO-SNVBAGLBSA-N 1 1 312.374 -1.764 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368566193 919740697 /nfs/dbraw/zinc/74/06/97/919740697.db2.gz JTXUOWNLTQBWIG-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001368558720 919741403 /nfs/dbraw/zinc/74/14/03/919741403.db2.gz URXDTHZTHUQMLO-JTQLQIEISA-N 1 1 312.374 -1.764 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001368575588 919743139 /nfs/dbraw/zinc/74/31/39/919743139.db2.gz RWEPHPBLASYJHA-NSHDSACASA-N 1 1 310.358 -1.595 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368566198 919743403 /nfs/dbraw/zinc/74/34/03/919743403.db2.gz JTXUOWNLTQBWIG-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001368574514 919743870 /nfs/dbraw/zinc/74/38/70/919743870.db2.gz GZLWUQIKUXMAHI-NSHDSACASA-N 1 1 310.358 -1.595 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368566196 919745323 /nfs/dbraw/zinc/74/53/23/919745323.db2.gz JTXUOWNLTQBWIG-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001368631917 919752148 /nfs/dbraw/zinc/75/21/48/919752148.db2.gz SZVMTEXQYZCURY-AWEZNQCLSA-N 1 1 300.403 -1.245 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001368631917 919752161 /nfs/dbraw/zinc/75/21/61/919752161.db2.gz SZVMTEXQYZCURY-AWEZNQCLSA-N 1 1 300.403 -1.245 20 0 DAADMO CNC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2nnn(C)n2)CC1 ZINC001368655286 919753122 /nfs/dbraw/zinc/75/31/22/919753122.db2.gz XKIHHLZGJPAIAP-UHFFFAOYSA-N 1 1 324.389 -1.390 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001368651729 919753479 /nfs/dbraw/zinc/75/34/79/919753479.db2.gz RVKIGGLQBUAVFR-DTWKUNHWSA-N 1 1 311.346 -1.497 20 0 DAADMO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001368653678 919754929 /nfs/dbraw/zinc/75/49/29/919754929.db2.gz XGEYHJQIPWMSKW-OIBJUYFYSA-N 1 1 308.342 -1.037 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1)NC1CC1 ZINC001368632921 919755285 /nfs/dbraw/zinc/75/52/85/919755285.db2.gz YCOWGVGBYONGQE-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001368672135 919756925 /nfs/dbraw/zinc/75/69/25/919756925.db2.gz QFUOZZQYGFOBMD-LBPRGKRZSA-N 1 1 324.385 -1.746 20 0 DAADMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660494 919758240 /nfs/dbraw/zinc/75/82/40/919758240.db2.gz IZVCYSRNZLDGAZ-KOLCDFICSA-N 1 1 322.369 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001368694953 919762702 /nfs/dbraw/zinc/76/27/02/919762702.db2.gz PBOSLVVRGHVAMG-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001368686488 919763203 /nfs/dbraw/zinc/76/32/03/919763203.db2.gz HZENYXPMUNCSTM-PSASIEDQSA-N 1 1 323.353 -1.202 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001368733859 919765955 /nfs/dbraw/zinc/76/59/55/919765955.db2.gz XHVNGYPSLZVGIS-JTQLQIEISA-N 1 1 323.353 -1.846 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001368733859 919765971 /nfs/dbraw/zinc/76/59/71/919765971.db2.gz XHVNGYPSLZVGIS-JTQLQIEISA-N 1 1 323.353 -1.846 20 0 DAADMO Cn1ccc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001368733047 919766815 /nfs/dbraw/zinc/76/68/15/919766815.db2.gz USRCOBIZNAHOKM-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1ccc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001368733047 919766829 /nfs/dbraw/zinc/76/68/29/919766829.db2.gz USRCOBIZNAHOKM-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnsn2)CC1 ZINC001368758690 919770251 /nfs/dbraw/zinc/77/02/51/919770251.db2.gz GMQYSTOHNMNBMI-QMMMGPOBSA-N 1 1 313.383 -1.031 20 0 DAADMO Cc1nc(CC(=O)NC2(CO)CC[NH+](CCCO)CC2)n[nH]1 ZINC001368762852 919770572 /nfs/dbraw/zinc/77/05/72/919770572.db2.gz VKGGTKZEFGWTFR-UHFFFAOYSA-N 1 1 311.386 -1.019 20 0 DAADMO C[N@@H+](CC(=O)NC1(CO)CCN(CC(N)=O)CC1)C1CCC1 ZINC001368762796 919771140 /nfs/dbraw/zinc/77/11/40/919771140.db2.gz UPJABWCHFUXOLX-UHFFFAOYSA-N 1 1 312.414 -1.101 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CCN([C@H]2CCNC2=O)CC1 ZINC001368767101 919771762 /nfs/dbraw/zinc/77/17/62/919771762.db2.gz YAHBWEIAGYKLIS-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001368794709 919772811 /nfs/dbraw/zinc/77/28/11/919772811.db2.gz JXZPAJGLQNMGRK-NSHDSACASA-N 1 1 324.385 -1.260 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001368794709 919772824 /nfs/dbraw/zinc/77/28/24/919772824.db2.gz JXZPAJGLQNMGRK-NSHDSACASA-N 1 1 324.385 -1.260 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001368803113 919773336 /nfs/dbraw/zinc/77/33/36/919773336.db2.gz UBVOBJSFLBWPGP-PUSIOWJLSA-N 1 1 309.374 -1.281 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CO)CCN(CC(N)=O)CC1 ZINC001368770632 919774815 /nfs/dbraw/zinc/77/48/15/919774815.db2.gz GQKWHARTDPUGBN-UHFFFAOYSA-N 1 1 300.403 -1.243 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001368797505 919774925 /nfs/dbraw/zinc/77/49/25/919774925.db2.gz AFFSQAMUALRSGX-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001368794706 919775286 /nfs/dbraw/zinc/77/52/86/919775286.db2.gz JXZPAJGLQNMGRK-LLVKDONJSA-N 1 1 324.385 -1.260 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001368794706 919775295 /nfs/dbraw/zinc/77/52/95/919775295.db2.gz JXZPAJGLQNMGRK-LLVKDONJSA-N 1 1 324.385 -1.260 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(CC(N)=O)CC1 ZINC001368770527 919775523 /nfs/dbraw/zinc/77/55/23/919775523.db2.gz DOWPPQGRMUCXTA-UHFFFAOYSA-N 1 1 300.403 -1.243 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)CCF ZINC001368791148 919775556 /nfs/dbraw/zinc/77/55/56/919775556.db2.gz BAMAHAXYZSAJAN-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCF ZINC001368791148 919775563 /nfs/dbraw/zinc/77/55/63/919775563.db2.gz BAMAHAXYZSAJAN-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001368770764 919775612 /nfs/dbraw/zinc/77/56/12/919775612.db2.gz OQZSWRUNHJNLAF-UHFFFAOYSA-N 1 1 309.374 -1.131 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001368806758 919776988 /nfs/dbraw/zinc/77/69/88/919776988.db2.gz PNJVVBYCLMYYPT-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001368806758 919777005 /nfs/dbraw/zinc/77/70/05/919777005.db2.gz PNJVVBYCLMYYPT-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001368813479 919777090 /nfs/dbraw/zinc/77/70/90/919777090.db2.gz QJZSIZSXQLIESI-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368811909 919778600 /nfs/dbraw/zinc/77/86/00/919778600.db2.gz TVCGEAVWYOELFD-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C2CC2)CC1 ZINC001368834337 919778635 /nfs/dbraw/zinc/77/86/35/919778635.db2.gz WLMWJNGQFJVXOD-UHFFFAOYSA-N 1 1 312.370 -1.123 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001368829803 919778816 /nfs/dbraw/zinc/77/88/16/919778816.db2.gz PBACXHIJEBBUAC-LLVKDONJSA-N 1 1 322.427 -1.303 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001368811026 919778926 /nfs/dbraw/zinc/77/89/26/919778926.db2.gz SKJMLHXFHWONLB-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001368806903 919779004 /nfs/dbraw/zinc/77/90/04/919779004.db2.gz KHRGDWLWEJKGSO-UEJVZZJDSA-N 1 1 310.362 -1.749 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001368829237 919779027 /nfs/dbraw/zinc/77/90/27/919779027.db2.gz GWNQKXCYQOLDHB-VHSXEESVSA-N 1 1 307.362 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368812491 919779117 /nfs/dbraw/zinc/77/91/17/919779117.db2.gz VHNOHRWXUANDAR-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001368836171 919779681 /nfs/dbraw/zinc/77/96/81/919779681.db2.gz OVZCXTIMHVEARZ-ZJUUUORDSA-N 1 1 324.385 -1.073 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001368861441 919780436 /nfs/dbraw/zinc/78/04/36/919780436.db2.gz VZNOYTJRLTUFTI-ZJUUUORDSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001368863094 919781696 /nfs/dbraw/zinc/78/16/96/919781696.db2.gz WXTYMNSCDWVQGA-NXEZZACHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001368861430 919781904 /nfs/dbraw/zinc/78/19/04/919781904.db2.gz VZNOYTJRLTUFTI-UWVGGRQHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC001368863101 919782347 /nfs/dbraw/zinc/78/23/47/919782347.db2.gz WXTYMNSCDWVQGA-UWVGGRQHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001368861424 919783795 /nfs/dbraw/zinc/78/37/95/919783795.db2.gz VZNOYTJRLTUFTI-NXEZZACHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1nncn1C ZINC001368857066 919783865 /nfs/dbraw/zinc/78/38/65/919783865.db2.gz BLICCVCHMUXZAS-QWRGUYRKSA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CCn1cccn1 ZINC001368965913 919789154 /nfs/dbraw/zinc/78/91/54/919789154.db2.gz XOPFNIZDLJMEPX-GFCCVEGCSA-N 1 1 321.385 -1.085 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001368971207 919789970 /nfs/dbraw/zinc/78/99/70/919789970.db2.gz WJXQRGMEWPNYGI-DTWKUNHWSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001368971207 919789977 /nfs/dbraw/zinc/78/99/77/919789977.db2.gz WJXQRGMEWPNYGI-DTWKUNHWSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CC1CC1 ZINC001368973004 919790324 /nfs/dbraw/zinc/79/03/24/919790324.db2.gz SLLWXQVYZNLDDO-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001368947658 919790489 /nfs/dbraw/zinc/79/04/89/919790489.db2.gz BJWIYSHZWNPUSE-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001368947658 919790523 /nfs/dbraw/zinc/79/05/23/919790523.db2.gz BJWIYSHZWNPUSE-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001368954912 919790766 /nfs/dbraw/zinc/79/07/66/919790766.db2.gz BEVKRAJVSPNBIF-QWRGUYRKSA-N 1 1 315.374 -1.974 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cn1)[N@H+](C)CC(N)=O ZINC001368974986 919790851 /nfs/dbraw/zinc/79/08/51/919790851.db2.gz YCOCMRLDVPGSDI-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cn1)[N@@H+](C)CC(N)=O ZINC001368974986 919790865 /nfs/dbraw/zinc/79/08/65/919790865.db2.gz YCOCMRLDVPGSDI-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001368953791 919791081 /nfs/dbraw/zinc/79/10/81/919791081.db2.gz LLBNRFXFEZAIHH-MNOVXSKESA-N 1 1 312.370 -1.162 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001368971204 919791319 /nfs/dbraw/zinc/79/13/19/919791319.db2.gz WJXQRGMEWPNYGI-BDAKNGLRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001368971204 919791332 /nfs/dbraw/zinc/79/13/32/919791332.db2.gz WJXQRGMEWPNYGI-BDAKNGLRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@H+](C)CC(=O)NC(N)=O ZINC001368967394 919791463 /nfs/dbraw/zinc/79/14/63/919791463.db2.gz WKYDFNPPFJEUIG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001368967394 919791467 /nfs/dbraw/zinc/79/14/67/919791467.db2.gz WKYDFNPPFJEUIG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001368978824 919791674 /nfs/dbraw/zinc/79/16/74/919791674.db2.gz OALRSUQXBBTJJS-YIZRAAEISA-N 1 1 313.358 -2.000 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001368978824 919791684 /nfs/dbraw/zinc/79/16/84/919791684.db2.gz OALRSUQXBBTJJS-YIZRAAEISA-N 1 1 313.358 -2.000 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001368958058 919792043 /nfs/dbraw/zinc/79/20/43/919792043.db2.gz GSKGQAWKQNHJLY-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001368958058 919792058 /nfs/dbraw/zinc/79/20/58/919792058.db2.gz GSKGQAWKQNHJLY-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001368943259 919792182 /nfs/dbraw/zinc/79/21/82/919792182.db2.gz PGCGUQKXOILZGS-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1CCNC1=O ZINC001368938177 919792267 /nfs/dbraw/zinc/79/22/67/919792267.db2.gz FRURPPZTXCLZRD-SNVBAGLBSA-N 1 1 310.362 -1.865 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001368937512 919792730 /nfs/dbraw/zinc/79/27/30/919792730.db2.gz CAPCLYYEFNOBTK-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001368983555 919794844 /nfs/dbraw/zinc/79/48/44/919794844.db2.gz IDAWYXFQYAHENJ-BBBLOLIVSA-N 1 1 316.358 -1.972 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368998718 919795043 /nfs/dbraw/zinc/79/50/43/919795043.db2.gz IJPBKUTZTOLAKD-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368998718 919795060 /nfs/dbraw/zinc/79/50/60/919795060.db2.gz IJPBKUTZTOLAKD-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@H+](C)CCNS(C)(=O)=O ZINC001368988688 919797036 /nfs/dbraw/zinc/79/70/36/919797036.db2.gz YFZJMTSNYGSJAR-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N@@H+](C)CCNS(C)(=O)=O ZINC001368988688 919797049 /nfs/dbraw/zinc/79/70/49/919797049.db2.gz YFZJMTSNYGSJAR-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO CCCC[NH+]1CC(CCO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001369027241 919805471 /nfs/dbraw/zinc/80/54/71/919805471.db2.gz YIXDRICXSPDCDM-UHFFFAOYSA-N 1 1 312.414 -1.229 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)C1C[NH+](CCF)C1)C(N)=O ZINC001369085075 919812191 /nfs/dbraw/zinc/81/21/91/919812191.db2.gz BLHOTAOITPVMAL-KCJUWKMLSA-N 1 1 302.350 -1.228 20 0 DAADMO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCS(C)(=O)=O)C1 ZINC001369079254 919813177 /nfs/dbraw/zinc/81/31/77/919813177.db2.gz XVCOETCROMHQLE-JQWIXIFHSA-N 1 1 322.427 -1.135 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001369112322 919815064 /nfs/dbraw/zinc/81/50/64/919815064.db2.gz HCDRDUYGXCVEFX-SNVBAGLBSA-N 1 1 322.431 -1.799 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001369114449 919815244 /nfs/dbraw/zinc/81/52/44/919815244.db2.gz DTXYRHSBGZDPSL-PSVAKVPMSA-N 1 1 306.326 -1.488 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104271 919815626 /nfs/dbraw/zinc/81/56/26/919815626.db2.gz BCLQHISHVANUJO-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104271 919815651 /nfs/dbraw/zinc/81/56/51/919815651.db2.gz BCLQHISHVANUJO-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3N)[C@@H]2C1 ZINC001369110454 919816293 /nfs/dbraw/zinc/81/62/93/919816293.db2.gz ACYOLEGJEKOMGC-FIQHERPVSA-N 1 1 321.381 -1.026 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001369116649 919818247 /nfs/dbraw/zinc/81/82/47/919818247.db2.gz NXEHXLMFKQUFDT-SNVBAGLBSA-N 1 1 307.416 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001369125881 919818694 /nfs/dbraw/zinc/81/86/94/919818694.db2.gz NDSKLQXUMKIJJF-KKOKHZNYSA-N 1 1 308.382 -1.176 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001369133272 919820294 /nfs/dbraw/zinc/82/02/94/919820294.db2.gz CTUPRVYPFJPVRP-YFKTTZPYSA-N 1 1 319.427 -1.270 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001369140022 919820704 /nfs/dbraw/zinc/82/07/04/919820704.db2.gz PAZOZHOLFJVLBH-CNDDSTCGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001369140022 919820723 /nfs/dbraw/zinc/82/07/23/919820723.db2.gz PAZOZHOLFJVLBH-CNDDSTCGSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001369140022 919820728 /nfs/dbraw/zinc/82/07/28/919820728.db2.gz PAZOZHOLFJVLBH-CNDDSTCGSA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cnn(C)n3)[C@@H]2C1 ZINC001369143110 919820776 /nfs/dbraw/zinc/82/07/76/919820776.db2.gz QFRGDMVLMVBTJO-JHEVNIALSA-N 1 1 320.397 -1.085 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001369134696 919820926 /nfs/dbraw/zinc/82/09/26/919820926.db2.gz NJSIBBFXSSJQCD-FIQHERPVSA-N 1 1 309.370 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cnn(C)n3)[C@@H]2C1 ZINC001369143121 919821541 /nfs/dbraw/zinc/82/15/41/919821541.db2.gz QFRGDMVLMVBTJO-XYJRDEOASA-N 1 1 320.397 -1.085 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001369159047 919823707 /nfs/dbraw/zinc/82/37/07/919823707.db2.gz QBUWULJWWGHOLK-KYZUINATSA-N 1 1 311.346 -1.450 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001369149393 919823773 /nfs/dbraw/zinc/82/37/73/919823773.db2.gz WIMDZCHFKTZOPV-PSVAKVPMSA-N 1 1 321.341 -2.082 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001369167766 919827064 /nfs/dbraw/zinc/82/70/64/919827064.db2.gz UCIHXONGGCTHMU-HBNTYKKESA-N 1 1 317.411 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001369167766 919827074 /nfs/dbraw/zinc/82/70/74/919827074.db2.gz UCIHXONGGCTHMU-HBNTYKKESA-N 1 1 317.411 -1.267 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001369167024 919827377 /nfs/dbraw/zinc/82/73/77/919827377.db2.gz XMOAHCABNRMIPI-KKOKHZNYSA-N 1 1 314.386 -1.654 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ncnn1C ZINC001369294195 919838784 /nfs/dbraw/zinc/83/87/84/919838784.db2.gz SBMNDLUFBBLKEX-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(F)F)Nc1cnccn1 ZINC001369299681 919838958 /nfs/dbraw/zinc/83/89/58/919838958.db2.gz UCFKKESPQHHLKZ-SSDOTTSWSA-N 1 1 303.269 -1.253 20 0 DAADMO Cc1cc(NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)F)n(C)n1 ZINC001369290542 919838991 /nfs/dbraw/zinc/83/89/91/919838991.db2.gz ATEJBGZXWRYNIE-MRVPVSSYSA-N 1 1 319.312 -1.001 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cn(C)nn1 ZINC001369295451 919839124 /nfs/dbraw/zinc/83/91/24/919839124.db2.gz UWFRZXNTCQIPRH-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001369301353 919839192 /nfs/dbraw/zinc/83/91/92/919839192.db2.gz PQFRFFGJHSQEGR-UWVGGRQHSA-N 1 1 324.389 -1.310 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(F)F)Nc1cnccn1 ZINC001369299682 919839334 /nfs/dbraw/zinc/83/93/34/919839334.db2.gz UCFKKESPQHHLKZ-ZETCQYMHSA-N 1 1 303.269 -1.253 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1c(C)n[nH]c1C ZINC001369298688 919840089 /nfs/dbraw/zinc/84/00/89/919840089.db2.gz QOQPRCMIWMBDFG-JTQLQIEISA-N 1 1 313.358 -1.322 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001369306432 919842603 /nfs/dbraw/zinc/84/26/03/919842603.db2.gz JGUOGDVQFMIOAA-LLVKDONJSA-N 1 1 311.342 -1.812 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001369306071 919842696 /nfs/dbraw/zinc/84/26/96/919842696.db2.gz ANCVSBFYXVORJY-VXGBXAGGSA-N 1 1 322.365 -1.065 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccnn1C ZINC001369309865 919844561 /nfs/dbraw/zinc/84/45/61/919844561.db2.gz JTBMZTQLUYZCBI-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369313070 919845026 /nfs/dbraw/zinc/84/50/26/919845026.db2.gz NXRUXZPIBGJELL-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369313070 919845048 /nfs/dbraw/zinc/84/50/48/919845048.db2.gz NXRUXZPIBGJELL-NXEZZACHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369313076 919846938 /nfs/dbraw/zinc/84/69/38/919846938.db2.gz NXRUXZPIBGJELL-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369313076 919846952 /nfs/dbraw/zinc/84/69/52/919846952.db2.gz NXRUXZPIBGJELL-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2nncs2)C1 ZINC001369314080 919846986 /nfs/dbraw/zinc/84/69/86/919846986.db2.gz QFFOFUHKTJDYQA-VHSXEESVSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2nncs2)C1 ZINC001369314080 919847002 /nfs/dbraw/zinc/84/70/02/919847002.db2.gz QFFOFUHKTJDYQA-VHSXEESVSA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CCn2cncn2)nn1C ZINC001369315682 919850187 /nfs/dbraw/zinc/85/01/87/919850187.db2.gz TVJPOKQIKUIFJC-CYBMUJFWSA-N 1 1 321.385 -1.023 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1C ZINC001369316473 919850728 /nfs/dbraw/zinc/85/07/28/919850728.db2.gz ZFEILXUDMCFFNK-VXGBXAGGSA-N 1 1 309.370 -1.426 20 0 DAADMO CC[C@@H](N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369325074 919855862 /nfs/dbraw/zinc/85/58/62/919855862.db2.gz QMJCJUZZVOPVKW-WDEREUQCSA-N 1 1 300.403 -1.199 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CN2CCOCC2)cn1 ZINC001369324048 919856097 /nfs/dbraw/zinc/85/60/97/919856097.db2.gz RXESUMHDJSEZMT-AWEZNQCLSA-N 1 1 323.397 -1.316 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369323071 919856167 /nfs/dbraw/zinc/85/61/67/919856167.db2.gz TWTJMEPJVZQNHQ-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[C@H](N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369325067 919857765 /nfs/dbraw/zinc/85/77/65/919857765.db2.gz QMJCJUZZVOPVKW-QWRGUYRKSA-N 1 1 300.403 -1.199 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001369326080 919860686 /nfs/dbraw/zinc/86/06/86/919860686.db2.gz YESTZLLVYZGHTR-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001369330925 919863023 /nfs/dbraw/zinc/86/30/23/919863023.db2.gz KZFVLYPNOUFBCJ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccc1O ZINC001369330183 919863552 /nfs/dbraw/zinc/86/35/52/919863552.db2.gz WCNJTRRAYYZNLQ-JTQLQIEISA-N 1 1 310.354 -1.008 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001369329249 919864225 /nfs/dbraw/zinc/86/42/25/919864225.db2.gz AYHRCCUVQJQKCO-NSHDSACASA-N 1 1 306.326 -1.204 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccc1O ZINC001369330188 919864715 /nfs/dbraw/zinc/86/47/15/919864715.db2.gz WCNJTRRAYYZNLQ-SNVBAGLBSA-N 1 1 310.354 -1.008 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001369332486 919868362 /nfs/dbraw/zinc/86/83/62/919868362.db2.gz NKCYEWYCNSXYQZ-KOLCDFICSA-N 1 1 312.326 -1.088 20 0 DAADMO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](CO)NCC(N)=O ZINC001369332791 919869602 /nfs/dbraw/zinc/86/96/02/919869602.db2.gz PSXQUVXWAMORRH-LLVKDONJSA-N 1 1 316.402 -2.103 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1cncnc1 ZINC001369333356 919869706 /nfs/dbraw/zinc/86/97/06/919869706.db2.gz BUXSLFARJPYJCA-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001369335510 919872113 /nfs/dbraw/zinc/87/21/13/919872113.db2.gz UVYLAJDLDRBAJQ-CMPLNLGQSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001369338185 919876874 /nfs/dbraw/zinc/87/68/74/919876874.db2.gz FVADMJXXLLXAET-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001369342764 919878486 /nfs/dbraw/zinc/87/84/86/919878486.db2.gz SDODJYBKJZZHIR-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001369340930 919879872 /nfs/dbraw/zinc/87/98/72/919879872.db2.gz IMENBCCGIYBDFR-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369342400 919880764 /nfs/dbraw/zinc/88/07/64/919880764.db2.gz TXLPOSGFJRRSME-CHWSQXEVSA-N 1 1 310.402 -1.171 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001369340451 919881501 /nfs/dbraw/zinc/88/15/01/919881501.db2.gz WUAAJVAETLTGSB-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001369346562 919887365 /nfs/dbraw/zinc/88/73/65/919887365.db2.gz CKHMGKBIPGWQCK-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001369346850 919887791 /nfs/dbraw/zinc/88/77/91/919887791.db2.gz UIWVFHBPJHMSCG-QMMMGPOBSA-N 1 1 301.372 -1.361 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1cn(C)nn1 ZINC001369347908 919888100 /nfs/dbraw/zinc/88/81/00/919888100.db2.gz XNYRWHNFIZUOGY-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369357282 919894057 /nfs/dbraw/zinc/89/40/57/919894057.db2.gz AHVJCMYFFLULBX-YPMHNXCESA-N 1 1 323.397 -1.065 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NC(N)=O ZINC001369355781 919896275 /nfs/dbraw/zinc/89/62/75/919896275.db2.gz SFPICMCMPHOZNM-RKDXNWHRSA-N 1 1 301.347 -2.658 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369365979 919901442 /nfs/dbraw/zinc/90/14/42/919901442.db2.gz PPCMVEYMFBYLRW-NEPJUHHUSA-N 1 1 300.403 -1.469 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC001369368843 919902523 /nfs/dbraw/zinc/90/25/23/919902523.db2.gz YWIQQPUHCKSVKK-UTUOFQBUSA-N 1 1 307.354 -1.527 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001369366848 919903605 /nfs/dbraw/zinc/90/36/05/919903605.db2.gz WEOUXLNAPBUEIX-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001369366848 919903611 /nfs/dbraw/zinc/90/36/11/919903611.db2.gz WEOUXLNAPBUEIX-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001369366626 919903729 /nfs/dbraw/zinc/90/37/29/919903729.db2.gz RZXDAAICHFMCGE-QWRGUYRKSA-N 1 1 310.358 -1.917 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369365984 919903833 /nfs/dbraw/zinc/90/38/33/919903833.db2.gz PPCMVEYMFBYLRW-VXGBXAGGSA-N 1 1 300.403 -1.469 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC001369368841 919904243 /nfs/dbraw/zinc/90/42/43/919904243.db2.gz YWIQQPUHCKSVKK-TUAOUCFPSA-N 1 1 307.354 -1.527 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H](C)C(=O)N(C)C ZINC001369370768 919906798 /nfs/dbraw/zinc/90/67/98/919906798.db2.gz FIJCZCZESPBWAU-NEPJUHHUSA-N 1 1 302.419 -1.130 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H](C)C(=O)N(C)C ZINC001369370768 919906810 /nfs/dbraw/zinc/90/68/10/919906810.db2.gz FIJCZCZESPBWAU-NEPJUHHUSA-N 1 1 302.419 -1.130 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001369370904 919908059 /nfs/dbraw/zinc/90/80/59/919908059.db2.gz FYNAYIMRDVZXIW-LBPRGKRZSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001369370904 919908073 /nfs/dbraw/zinc/90/80/73/919908073.db2.gz FYNAYIMRDVZXIW-LBPRGKRZSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2ccc(=O)n(C)n2)on1 ZINC001369373498 919909407 /nfs/dbraw/zinc/90/94/07/919909407.db2.gz RSNVERRNZWOBIN-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381494 919913412 /nfs/dbraw/zinc/91/34/12/919913412.db2.gz NTNJONSFTFZIGA-NWDGAFQWSA-N 1 1 321.443 -1.561 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381494 919913428 /nfs/dbraw/zinc/91/34/28/919913428.db2.gz NTNJONSFTFZIGA-NWDGAFQWSA-N 1 1 321.443 -1.561 20 0 DAADMO Cn1cnnc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369382926 919917028 /nfs/dbraw/zinc/91/70/28/919917028.db2.gz PRVSRUSCOYZEKK-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cnnc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369382917 919918195 /nfs/dbraw/zinc/91/81/95/919918195.db2.gz PRVSRUSCOYZEKK-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1nnn(C)n1 ZINC001369387676 919919515 /nfs/dbraw/zinc/91/95/15/919919515.db2.gz VELFFPRQNUEEAH-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001369401374 919921371 /nfs/dbraw/zinc/92/13/71/919921371.db2.gz FHACJSDUDUZXSJ-DYEKYZERSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CCO ZINC001369421938 919922557 /nfs/dbraw/zinc/92/25/57/919922557.db2.gz DMXUJLIAEUCCQS-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)[C@@H]1C ZINC001369404351 919923146 /nfs/dbraw/zinc/92/31/46/919923146.db2.gz MNKURXOERKLMSE-WCBMZHEXSA-N 1 1 317.371 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC001369407454 919923920 /nfs/dbraw/zinc/92/39/20/919923920.db2.gz USMBKDCDYDEJKK-MJVIPROJSA-N 1 1 324.385 -1.056 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001369442078 919925433 /nfs/dbraw/zinc/92/54/33/919925433.db2.gz AQGZRTHJXONMOT-LBPRGKRZSA-N 1 1 312.374 -1.798 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001369434445 919926314 /nfs/dbraw/zinc/92/63/14/919926314.db2.gz PPFZKAZUZGTLEF-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001369434445 919926325 /nfs/dbraw/zinc/92/63/25/919926325.db2.gz PPFZKAZUZGTLEF-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)[C@@H]1C ZINC001369439541 919926686 /nfs/dbraw/zinc/92/66/86/919926686.db2.gz UFINZHBEQKISFD-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnccn1)c1nnnn1C ZINC001369448153 919930613 /nfs/dbraw/zinc/93/06/13/919930613.db2.gz ACHPJMKAHOKLPR-NXEZZACHSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)Cc1ccn[nH]1 ZINC001369450623 919931638 /nfs/dbraw/zinc/93/16/38/919931638.db2.gz LYOUZICNHYJZRK-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001369452085 919933181 /nfs/dbraw/zinc/93/31/81/919933181.db2.gz GBNBFHMVAMGMGI-KOLCDFICSA-N 1 1 312.374 -1.048 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnccn1 ZINC001369453830 919933540 /nfs/dbraw/zinc/93/35/40/919933540.db2.gz LURPZKJDSSGGAW-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccnn1C ZINC001369454947 919935112 /nfs/dbraw/zinc/93/51/12/919935112.db2.gz MBYLLPWLUNYKPV-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001369459293 919936685 /nfs/dbraw/zinc/93/66/85/919936685.db2.gz IQPDTJRHIZWWQU-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CS(C)(=O)=O)no1 ZINC001369459255 919936720 /nfs/dbraw/zinc/93/67/20/919936720.db2.gz XOCWYUNOFBZMOZ-NSHDSACASA-N 1 1 319.383 -1.063 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)C1 ZINC001369456531 919938268 /nfs/dbraw/zinc/93/82/68/919938268.db2.gz PSBKUSFMSNMMOO-GFCCVEGCSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1nc[nH]n1 ZINC001369457942 919938595 /nfs/dbraw/zinc/93/85/95/919938595.db2.gz FTLKDBUWMDNAQN-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2=COCCO2)[nH]1 ZINC001369457826 919938645 /nfs/dbraw/zinc/93/86/45/919938645.db2.gz XZVUDCIQTJMUAP-SNVBAGLBSA-N 1 1 311.342 -1.090 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccc(=O)[nH]n1 ZINC001369456664 919939218 /nfs/dbraw/zinc/93/92/18/919939218.db2.gz UVVKCJKIWGHVEA-VIFPVBQESA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCCO1 ZINC001369462591 919941941 /nfs/dbraw/zinc/94/19/41/919941941.db2.gz RWMDKBBNISONIO-GHMZBOCLSA-N 1 1 312.374 -1.312 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CN1CCOCC1 ZINC001369461996 919942666 /nfs/dbraw/zinc/94/26/66/919942666.db2.gz PLPDTNWJPCEDAI-GFCCVEGCSA-N 1 1 313.358 -1.689 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnoc1 ZINC001369465237 919944472 /nfs/dbraw/zinc/94/44/72/919944472.db2.gz ASCFDFOFKSOAHF-SNVBAGLBSA-N 1 1 309.330 -1.650 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001369465504 919945319 /nfs/dbraw/zinc/94/53/19/919945319.db2.gz UEQCINPBRPIJCR-NSHDSACASA-N 1 1 324.385 -1.377 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnoc1 ZINC001369465234 919946083 /nfs/dbraw/zinc/94/60/83/919946083.db2.gz ASCFDFOFKSOAHF-JTQLQIEISA-N 1 1 309.330 -1.650 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369471287 919949483 /nfs/dbraw/zinc/94/94/83/919949483.db2.gz MYRRBFBEVOEAJN-VIFPVBQESA-N 1 1 323.361 -1.576 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001369480817 919952471 /nfs/dbraw/zinc/95/24/71/919952471.db2.gz GALPSRHILKNRGP-NXEZZACHSA-N 1 1 316.358 -1.845 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001369480340 919953768 /nfs/dbraw/zinc/95/37/68/919953768.db2.gz YTZBDXBVFJSYDZ-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccn(C)n1 ZINC001369479548 919953862 /nfs/dbraw/zinc/95/38/62/919953862.db2.gz FSJMISPIRIDXMN-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)N1 ZINC001369478458 919954706 /nfs/dbraw/zinc/95/47/06/919954706.db2.gz AHQBZOPGDZIBNN-QWRGUYRKSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001369484592 919955963 /nfs/dbraw/zinc/95/59/63/919955963.db2.gz BSZWPJHWMIUHQC-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1C ZINC001369484356 919956538 /nfs/dbraw/zinc/95/65/38/919956538.db2.gz SWKNHDIQLUTAJY-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001369480819 919958544 /nfs/dbraw/zinc/95/85/44/919958544.db2.gz GALPSRHILKNRGP-VHSXEESVSA-N 1 1 316.358 -1.845 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001369490718 919960101 /nfs/dbraw/zinc/96/01/01/919960101.db2.gz SGNYHVMUNUNZNE-PSASIEDQSA-N 1 1 300.359 -1.269 20 0 DAADMO CN(C[C@H](O)CNCc1ncnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369489309 919961768 /nfs/dbraw/zinc/96/17/68/919961768.db2.gz ZNJRTWUZKPPOCD-VXGBXAGGSA-N 1 1 310.402 -1.324 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001369489666 919961881 /nfs/dbraw/zinc/96/18/81/919961881.db2.gz MAHGIJRCZBYXHS-LLVKDONJSA-N 1 1 300.359 -1.254 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001369489666 919961890 /nfs/dbraw/zinc/96/18/90/919961890.db2.gz MAHGIJRCZBYXHS-LLVKDONJSA-N 1 1 300.359 -1.254 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001369498968 919964475 /nfs/dbraw/zinc/96/44/75/919964475.db2.gz VJJVNHZYXJJEDF-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001369498968 919964491 /nfs/dbraw/zinc/96/44/91/919964491.db2.gz VJJVNHZYXJJEDF-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001369496796 919964992 /nfs/dbraw/zinc/96/49/92/919964992.db2.gz PTOMHPOXGAFJLV-ZYHUDNBSSA-N 1 1 316.402 -1.650 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492004 919965039 /nfs/dbraw/zinc/96/50/39/919965039.db2.gz CFQAEPWRIPXHLU-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492004 919965052 /nfs/dbraw/zinc/96/50/52/919965052.db2.gz CFQAEPWRIPXHLU-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001369496791 919965764 /nfs/dbraw/zinc/96/57/64/919965764.db2.gz PTOMHPOXGAFJLV-CMPLNLGQSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498613 919966780 /nfs/dbraw/zinc/96/67/80/919966780.db2.gz PBALEIWXLVBFMO-CMPLNLGQSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498613 919966790 /nfs/dbraw/zinc/96/67/90/919966790.db2.gz PBALEIWXLVBFMO-CMPLNLGQSA-N 1 1 311.386 -1.162 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001369493015 919966935 /nfs/dbraw/zinc/96/69/35/919966935.db2.gz GRBSQJDOHQQDOT-QWRGUYRKSA-N 1 1 301.387 -1.213 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001369497544 919967406 /nfs/dbraw/zinc/96/74/06/919967406.db2.gz POABJIANLAWPNU-UWVGGRQHSA-N 1 1 318.399 -1.090 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O)C1 ZINC001369498507 919967747 /nfs/dbraw/zinc/96/77/47/919967747.db2.gz YTIOTJAVAQXKLT-GWCFXTLKSA-N 1 1 301.387 -1.403 20 0 DAADMO Cc1nnsc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001369492169 919967993 /nfs/dbraw/zinc/96/79/93/919967993.db2.gz FETDPQTZMJHFDI-MRVPVSSYSA-N 1 1 301.372 -1.303 20 0 DAADMO Cc1nnsc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001369492169 919968007 /nfs/dbraw/zinc/96/80/07/919968007.db2.gz FETDPQTZMJHFDI-MRVPVSSYSA-N 1 1 301.372 -1.303 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O)C1 ZINC001369498513 919968635 /nfs/dbraw/zinc/96/86/35/919968635.db2.gz YTIOTJAVAQXKLT-ZWNOBZJWSA-N 1 1 301.387 -1.403 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492006 919968663 /nfs/dbraw/zinc/96/86/63/919968663.db2.gz CFQAEPWRIPXHLU-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001369492006 919968676 /nfs/dbraw/zinc/96/86/76/919968676.db2.gz CFQAEPWRIPXHLU-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)c1nnn(C)n1 ZINC001369504274 919969735 /nfs/dbraw/zinc/96/97/35/919969735.db2.gz NHVBASJXMAKFHN-LLVKDONJSA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)c1nnn(C)n1 ZINC001369504274 919969747 /nfs/dbraw/zinc/96/97/47/919969747.db2.gz NHVBASJXMAKFHN-LLVKDONJSA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001369500131 919969905 /nfs/dbraw/zinc/96/99/05/919969905.db2.gz TUGIENCAYSQXRW-MNOVXSKESA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001369500131 919969917 /nfs/dbraw/zinc/96/99/17/919969917.db2.gz TUGIENCAYSQXRW-MNOVXSKESA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)c1nnn(C)n1 ZINC001369507257 919970010 /nfs/dbraw/zinc/97/00/10/919970010.db2.gz VRAOXEWTPDNOLN-LLVKDONJSA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)c1nnn(C)n1 ZINC001369507257 919970023 /nfs/dbraw/zinc/97/00/23/919970023.db2.gz VRAOXEWTPDNOLN-LLVKDONJSA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cccn2nnnc12 ZINC001369500904 919971025 /nfs/dbraw/zinc/97/10/25/919971025.db2.gz AHYWXQLZMOVKRA-JTQLQIEISA-N 1 1 308.342 -1.519 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2c(c1)nnn2C ZINC001369500291 919971234 /nfs/dbraw/zinc/97/12/34/919971234.db2.gz ARVPHNCNVVWQKH-NSHDSACASA-N 1 1 322.369 -1.280 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001369501567 919971712 /nfs/dbraw/zinc/97/17/12/919971712.db2.gz IDCNXSYKVUQSHP-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001369501567 919971721 /nfs/dbraw/zinc/97/17/21/919971721.db2.gz IDCNXSYKVUQSHP-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001369505142 919972107 /nfs/dbraw/zinc/97/21/07/919972107.db2.gz QNZZOULBPSZGSJ-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001369505142 919972114 /nfs/dbraw/zinc/97/21/14/919972114.db2.gz QNZZOULBPSZGSJ-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1c[nH]c(=O)n1C ZINC001369506879 919972845 /nfs/dbraw/zinc/97/28/45/919972845.db2.gz URKGXAHNXPZFGE-SNVBAGLBSA-N 1 1 300.359 -1.127 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccc2n[nH]nc2n1 ZINC001369507503 919973717 /nfs/dbraw/zinc/97/37/17/919973717.db2.gz LFDZSNLMRWQQBL-VIFPVBQESA-N 1 1 308.342 -1.290 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505158 919973845 /nfs/dbraw/zinc/97/38/45/919973845.db2.gz HPUNDGHOXCBTJN-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505158 919973856 /nfs/dbraw/zinc/97/38/56/919973856.db2.gz HPUNDGHOXCBTJN-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nn1C ZINC001369500449 919973931 /nfs/dbraw/zinc/97/39/31/919973931.db2.gz BDRPCTKOUIKCFO-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nn1C ZINC001369500449 919973943 /nfs/dbraw/zinc/97/39/43/919973943.db2.gz BDRPCTKOUIKCFO-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001369510886 919976018 /nfs/dbraw/zinc/97/60/18/919976018.db2.gz UPQCXLHHRXBUHB-PSASIEDQSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)[nH]1 ZINC001369510886 919976022 /nfs/dbraw/zinc/97/60/22/919976022.db2.gz UPQCXLHHRXBUHB-PSASIEDQSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001369514723 919976135 /nfs/dbraw/zinc/97/61/35/919976135.db2.gz LNNNNKMUFSLVQQ-MWLCHTKSSA-N 1 1 312.370 -1.141 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1csnn1 ZINC001369507987 919977049 /nfs/dbraw/zinc/97/70/49/919977049.db2.gz XBFYGNQSJGGYOI-WPRPVWTQSA-N 1 1 313.383 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512836 919977760 /nfs/dbraw/zinc/97/77/60/919977760.db2.gz YADYDGOMSVBXEQ-MWLCHTKSSA-N 1 1 308.400 -1.837 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512836 919977770 /nfs/dbraw/zinc/97/77/70/919977770.db2.gz YADYDGOMSVBXEQ-MWLCHTKSSA-N 1 1 308.400 -1.837 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369510828 919978087 /nfs/dbraw/zinc/97/80/87/919978087.db2.gz BPFLKEOXLUODSO-ZJUUUORDSA-N 1 1 301.347 -1.823 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001369513879 919978354 /nfs/dbraw/zinc/97/83/54/919978354.db2.gz KKOOLGYEDWJGEA-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001369513879 919978365 /nfs/dbraw/zinc/97/83/65/919978365.db2.gz KKOOLGYEDWJGEA-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001369508725 919978599 /nfs/dbraw/zinc/97/85/99/919978599.db2.gz PCUPUVVAVQMPLK-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001369508725 919978615 /nfs/dbraw/zinc/97/86/15/919978615.db2.gz PCUPUVVAVQMPLK-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001369513880 919978652 /nfs/dbraw/zinc/97/86/52/919978652.db2.gz KKOOLGYEDWJGEA-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001369513880 919978665 /nfs/dbraw/zinc/97/86/65/919978665.db2.gz KKOOLGYEDWJGEA-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1csnn1 ZINC001369507978 919979057 /nfs/dbraw/zinc/97/90/57/919979057.db2.gz XBFYGNQSJGGYOI-PSASIEDQSA-N 1 1 313.383 -1.209 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001369508386 919979216 /nfs/dbraw/zinc/97/92/16/919979216.db2.gz YOHPDFIBHZQRTA-MNOVXSKESA-N 1 1 316.402 -1.663 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001369508386 919979227 /nfs/dbraw/zinc/97/92/27/919979227.db2.gz YOHPDFIBHZQRTA-MNOVXSKESA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1ccnc1 ZINC001369522654 919980430 /nfs/dbraw/zinc/98/04/30/919980430.db2.gz LSYKYDXDQHCFDH-ZDUSSCGKSA-N 1 1 321.385 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(C(N)=O)ccn1 ZINC001369526222 919980629 /nfs/dbraw/zinc/98/06/29/919980629.db2.gz VOCQSFPSWVHIMF-LBPRGKRZSA-N 1 1 324.381 -1.072 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001369548683 919981755 /nfs/dbraw/zinc/98/17/55/919981755.db2.gz ICBHYAJHENBAIC-NWDGAFQWSA-N 1 1 316.402 -1.745 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001369548683 919981771 /nfs/dbraw/zinc/98/17/71/919981771.db2.gz ICBHYAJHENBAIC-NWDGAFQWSA-N 1 1 316.402 -1.745 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001369521837 919982220 /nfs/dbraw/zinc/98/22/20/919982220.db2.gz YBRUVXBRNLHDIC-NXEZZACHSA-N 1 1 302.331 -1.558 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccn(C)n1)[C@H]1CCNC1=O ZINC001369551409 919983156 /nfs/dbraw/zinc/98/31/56/919983156.db2.gz GNJQKOHGGUBZAV-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccn(C)n1)[C@H]1CCNC1=O ZINC001369551409 919983162 /nfs/dbraw/zinc/98/31/62/919983162.db2.gz GNJQKOHGGUBZAV-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCN(C)C1=O ZINC001369552375 919986294 /nfs/dbraw/zinc/98/62/94/919986294.db2.gz QNXQWPWFSBVFMV-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCN(C)C1=O ZINC001369552375 919986299 /nfs/dbraw/zinc/98/62/99/919986299.db2.gz QNXQWPWFSBVFMV-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCN(C)C1=O ZINC001369553151 919986577 /nfs/dbraw/zinc/98/65/77/919986577.db2.gz FTZFEWIZAILVSW-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCN(C)C1=O ZINC001369553151 919986581 /nfs/dbraw/zinc/98/65/81/919986581.db2.gz FTZFEWIZAILVSW-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H]([NH2+]C1CC(N(C)C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001369584986 919990254 /nfs/dbraw/zinc/99/02/54/919990254.db2.gz FVTAITNWRXICTM-IDKOKCKLSA-N 1 1 324.389 -1.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369798550 919997638 /nfs/dbraw/zinc/99/76/38/919997638.db2.gz HWTCPBQFZWXJPQ-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001369822159 920000347 /nfs/dbraw/zinc/00/03/47/920000347.db2.gz SEEAIDCNAZIYOI-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001369862489 920008042 /nfs/dbraw/zinc/00/80/42/920008042.db2.gz ZINDJSRWFFBUJC-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001369862489 920008051 /nfs/dbraw/zinc/00/80/51/920008051.db2.gz ZINDJSRWFFBUJC-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369928744 920014147 /nfs/dbraw/zinc/01/41/47/920014147.db2.gz MLZLNWYOIVBOPW-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369928744 920014165 /nfs/dbraw/zinc/01/41/65/920014165.db2.gz MLZLNWYOIVBOPW-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001369927636 920015031 /nfs/dbraw/zinc/01/50/31/920015031.db2.gz GBOGBGQFYZOFCA-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001369921532 920015342 /nfs/dbraw/zinc/01/53/42/920015342.db2.gz YEBAQIZVUSTFNY-QWHCGFSZSA-N 1 1 311.430 -1.312 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369972597 920021560 /nfs/dbraw/zinc/02/15/60/920021560.db2.gz AYZMROZAOQBKMD-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369972597 920021578 /nfs/dbraw/zinc/02/15/78/920021578.db2.gz AYZMROZAOQBKMD-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001369982924 920024116 /nfs/dbraw/zinc/02/41/16/920024116.db2.gz BMMABXBYMGRQCG-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369979216 920024159 /nfs/dbraw/zinc/02/41/59/920024159.db2.gz UMCSVKSJQLIRFK-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369979216 920024173 /nfs/dbraw/zinc/02/41/73/920024173.db2.gz UMCSVKSJQLIRFK-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001369983835 920024202 /nfs/dbraw/zinc/02/42/02/920024202.db2.gz GZLRCWJFVVMSKH-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001369983835 920024216 /nfs/dbraw/zinc/02/42/16/920024216.db2.gz GZLRCWJFVVMSKH-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001369981171 920025268 /nfs/dbraw/zinc/02/52/68/920025268.db2.gz CQKUVAGWYMSTFS-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO CN(C)C(=O)CN1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035273 920031119 /nfs/dbraw/zinc/03/11/19/920031119.db2.gz UTRYZDFJBCUMDA-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008445 920031335 /nfs/dbraw/zinc/03/13/35/920031335.db2.gz KXYVUUIIUIJVNT-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008445 920031346 /nfs/dbraw/zinc/03/13/46/920031346.db2.gz KXYVUUIIUIJVNT-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001370045495 920032199 /nfs/dbraw/zinc/03/21/99/920032199.db2.gz OHDWCOKFQDMEHM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001370009217 920032739 /nfs/dbraw/zinc/03/27/39/920032739.db2.gz XSWRWINJQJPNQS-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001370009217 920032751 /nfs/dbraw/zinc/03/27/51/920032751.db2.gz XSWRWINJQJPNQS-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001370025878 920033018 /nfs/dbraw/zinc/03/30/18/920033018.db2.gz BCTJBPGCIBCKSG-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001370009218 920033175 /nfs/dbraw/zinc/03/31/75/920033175.db2.gz XSWRWINJQJPNQS-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001370009218 920033185 /nfs/dbraw/zinc/03/31/85/920033185.db2.gz XSWRWINJQJPNQS-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001370036402 920033637 /nfs/dbraw/zinc/03/36/37/920033637.db2.gz UNULSBUDIREUOQ-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001370036402 920033652 /nfs/dbraw/zinc/03/36/52/920033652.db2.gz UNULSBUDIREUOQ-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001370070624 920035494 /nfs/dbraw/zinc/03/54/94/920035494.db2.gz QSZLHOOPZXXXMO-ZYHUDNBSSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001370070624 920035495 /nfs/dbraw/zinc/03/54/95/920035495.db2.gz QSZLHOOPZXXXMO-ZYHUDNBSSA-N 1 1 306.370 -1.173 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001370066422 920035754 /nfs/dbraw/zinc/03/57/54/920035754.db2.gz JZUNUDYRUMLFMB-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001370070616 920036947 /nfs/dbraw/zinc/03/69/47/920036947.db2.gz QSZLHOOPZXXXMO-CMPLNLGQSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001370070616 920036961 /nfs/dbraw/zinc/03/69/61/920036961.db2.gz QSZLHOOPZXXXMO-CMPLNLGQSA-N 1 1 306.370 -1.173 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001370130263 920038648 /nfs/dbraw/zinc/03/86/48/920038648.db2.gz JIVPIQRSVOWNJA-SECBINFHSA-N 1 1 311.346 -1.450 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001370124580 920038866 /nfs/dbraw/zinc/03/88/66/920038866.db2.gz KAKNPCXKRXYLOQ-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001370130270 920039397 /nfs/dbraw/zinc/03/93/97/920039397.db2.gz JIVPIQRSVOWNJA-VIFPVBQESA-N 1 1 311.346 -1.450 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C2CC2)nn1 ZINC001370134448 920039594 /nfs/dbraw/zinc/03/95/94/920039594.db2.gz UBJCRDGQEARGAQ-LLVKDONJSA-N 1 1 315.399 -1.156 20 0 DAADMO O=C(NC[C@H]([NH2+]CCN1CCNC1=O)C1CC1)c1cnn[nH]1 ZINC001370190101 920041715 /nfs/dbraw/zinc/04/17/15/920041715.db2.gz MRWFIDDVJCWBNO-JTQLQIEISA-N 1 1 307.358 -1.072 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001370212730 920044382 /nfs/dbraw/zinc/04/43/82/920044382.db2.gz HBYHZRFOSJEPFM-GHMZBOCLSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001370213172 920044694 /nfs/dbraw/zinc/04/46/94/920044694.db2.gz MYLOLQOOXRQWPA-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]([NH2+]CCN1CCNC1=O)C1CC1 ZINC001370260884 920046239 /nfs/dbraw/zinc/04/62/39/920046239.db2.gz XIHCMAGOOQSDME-LLVKDONJSA-N 1 1 321.385 -1.143 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001370365763 920051550 /nfs/dbraw/zinc/05/15/50/920051550.db2.gz MPBTXWATQZVCIQ-VIFPVBQESA-N 1 1 317.371 -1.301 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001370408944 920054110 /nfs/dbraw/zinc/05/41/10/920054110.db2.gz QHKCDGLIFSXPKJ-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001370403118 920054370 /nfs/dbraw/zinc/05/43/70/920054370.db2.gz BYKXTOVXONVYGG-VIFPVBQESA-N 1 1 317.371 -1.349 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001370450194 920058376 /nfs/dbraw/zinc/05/83/76/920058376.db2.gz ZHEFVWICAZJXID-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001370526235 920066987 /nfs/dbraw/zinc/06/69/87/920066987.db2.gz YQRWYBCHWRAWHE-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001370594223 920071723 /nfs/dbraw/zinc/07/17/23/920071723.db2.gz RXJPKSBGPQKKKJ-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370593701 920072890 /nfs/dbraw/zinc/07/28/90/920072890.db2.gz QBKYDAOQVFSXQC-VHSXEESVSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370593701 920072876 /nfs/dbraw/zinc/07/28/76/920072876.db2.gz QBKYDAOQVFSXQC-VHSXEESVSA-N 1 1 310.358 -1.288 20 0 DAADMO CNC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001370584079 920073208 /nfs/dbraw/zinc/07/32/08/920073208.db2.gz HVDITMSQUCWYHI-OFLUOSHYSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001370590097 920073897 /nfs/dbraw/zinc/07/38/97/920073897.db2.gz JWHNXIRWCDWIPR-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001370620222 920074313 /nfs/dbraw/zinc/07/43/13/920074313.db2.gz RPSYALABOYZHRO-AOOOYVTPSA-N 1 1 309.374 -1.137 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370635873 920077752 /nfs/dbraw/zinc/07/77/52/920077752.db2.gz IWDJTAQUIQRNJF-QWRGUYRKSA-N 1 1 300.359 -2.333 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC001370636667 920081152 /nfs/dbraw/zinc/08/11/52/920081152.db2.gz KJMBWDGCXJJQQL-NSHDSACASA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001370649518 920088067 /nfs/dbraw/zinc/08/80/67/920088067.db2.gz JTYSRWAHXYRTHI-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O ZINC001370666292 920097883 /nfs/dbraw/zinc/09/78/83/920097883.db2.gz KOBCFRTWJHOJKT-DTWKUNHWSA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CNC(N)=O ZINC001370666308 920097919 /nfs/dbraw/zinc/09/79/19/920097919.db2.gz KOBCFRTWJHOJKT-RKDXNWHRSA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670643 920100430 /nfs/dbraw/zinc/10/04/30/920100430.db2.gz FBNWUBTYDSLCAC-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670643 920100442 /nfs/dbraw/zinc/10/04/42/920100442.db2.gz FBNWUBTYDSLCAC-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001370671151 920102192 /nfs/dbraw/zinc/10/21/92/920102192.db2.gz RWYWHQQSLHYCMO-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001370671138 920104384 /nfs/dbraw/zinc/10/43/84/920104384.db2.gz RWYWHQQSLHYCMO-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1nccc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001370675726 920105771 /nfs/dbraw/zinc/10/57/71/920105771.db2.gz YMGVZVMFIVVJMZ-AAEUAGOBSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370682181 920112007 /nfs/dbraw/zinc/11/20/07/920112007.db2.gz DWRJWSANXQRJRZ-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001370681239 920112994 /nfs/dbraw/zinc/11/29/94/920112994.db2.gz HXTCKQVEYLEGSG-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001370684041 920115500 /nfs/dbraw/zinc/11/55/00/920115500.db2.gz GWLZNFRGTCMCGZ-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001370703984 920129292 /nfs/dbraw/zinc/12/92/92/920129292.db2.gz ALJWBJLXVJFBTP-LLVKDONJSA-N 1 1 324.337 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCNC(N)=O)C1 ZINC001370708440 920132400 /nfs/dbraw/zinc/13/24/00/920132400.db2.gz QZZMXRJKTCAPOQ-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2ncnn2)C1 ZINC001370705764 920132500 /nfs/dbraw/zinc/13/25/00/920132500.db2.gz IBWDRKMTOCBWGH-ZJUUUORDSA-N 1 1 311.346 -2.782 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370706723 920132790 /nfs/dbraw/zinc/13/27/90/920132790.db2.gz KXJKBYRPPRUOGA-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2ncnn2)C1 ZINC001370705762 920132898 /nfs/dbraw/zinc/13/28/98/920132898.db2.gz IBWDRKMTOCBWGH-VHSXEESVSA-N 1 1 311.346 -2.782 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)n1 ZINC001370706802 920132943 /nfs/dbraw/zinc/13/29/43/920132943.db2.gz LSANKQHVZHZBFY-VIFPVBQESA-N 1 1 322.329 -2.378 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1nnn(C)n1 ZINC001370706801 920133231 /nfs/dbraw/zinc/13/32/31/920133231.db2.gz LSANKQHVZHZBFY-SECBINFHSA-N 1 1 322.329 -2.378 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001370710326 920135386 /nfs/dbraw/zinc/13/53/86/920135386.db2.gz WQHWJHVUXWVVBX-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370710291 920135683 /nfs/dbraw/zinc/13/56/83/920135683.db2.gz VZVOUHYEMXYBGU-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001370710766 920135730 /nfs/dbraw/zinc/13/57/30/920135730.db2.gz XWIVIRJVNLVFTC-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370708450 920136582 /nfs/dbraw/zinc/13/65/82/920136582.db2.gz RBIVYIOKMVAJPV-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CSC)C1 ZINC001370712834 920139070 /nfs/dbraw/zinc/13/90/70/920139070.db2.gz ADRYUOFZDOJTJD-GHMZBOCLSA-N 1 1 319.427 -1.337 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CSC)C1 ZINC001370712834 920139081 /nfs/dbraw/zinc/13/90/81/920139081.db2.gz ADRYUOFZDOJTJD-GHMZBOCLSA-N 1 1 319.427 -1.337 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001370713201 920139353 /nfs/dbraw/zinc/13/93/53/920139353.db2.gz UVPAOOJFVJRPMG-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001370724919 920141410 /nfs/dbraw/zinc/14/14/10/920141410.db2.gz NAPHPUDKTUPKAH-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001370724915 920142154 /nfs/dbraw/zinc/14/21/54/920142154.db2.gz NAPHPUDKTUPKAH-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001370723753 920142708 /nfs/dbraw/zinc/14/27/08/920142708.db2.gz KNXVPALTSKUIGF-ZJUUUORDSA-N 1 1 311.342 -1.321 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370733267 920147502 /nfs/dbraw/zinc/14/75/02/920147502.db2.gz LZVPAHWKJOJYMI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370733267 920147507 /nfs/dbraw/zinc/14/75/07/920147507.db2.gz LZVPAHWKJOJYMI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370733267 920147514 /nfs/dbraw/zinc/14/75/14/920147514.db2.gz LZVPAHWKJOJYMI-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370733264 920147931 /nfs/dbraw/zinc/14/79/31/920147931.db2.gz LZVPAHWKJOJYMI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370733264 920147937 /nfs/dbraw/zinc/14/79/37/920147937.db2.gz LZVPAHWKJOJYMI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370733264 920147944 /nfs/dbraw/zinc/14/79/44/920147944.db2.gz LZVPAHWKJOJYMI-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NC(=O)c1ccc[nH]1 ZINC001370737521 920150717 /nfs/dbraw/zinc/15/07/17/920150717.db2.gz RTAKBBMMRJMIHV-GFCCVEGCSA-N 1 1 324.381 -1.056 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001370746504 920153149 /nfs/dbraw/zinc/15/31/49/920153149.db2.gz RDACRFGYQJCWSF-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749972 920157409 /nfs/dbraw/zinc/15/74/09/920157409.db2.gz HDQQOPICTFKPLF-GFCCVEGCSA-N 1 1 321.381 -1.359 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001370749651 920157840 /nfs/dbraw/zinc/15/78/40/920157840.db2.gz VVVDJOHJGONJDV-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749651 920157850 /nfs/dbraw/zinc/15/78/50/920157850.db2.gz VVVDJOHJGONJDV-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749651 920157860 /nfs/dbraw/zinc/15/78/60/920157860.db2.gz VVVDJOHJGONJDV-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001370753046 920158480 /nfs/dbraw/zinc/15/84/80/920158480.db2.gz CIAYWQBFEZBYTG-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001370765532 920162718 /nfs/dbraw/zinc/16/27/18/920162718.db2.gz DGICXONCRPAAJQ-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001370765532 920162720 /nfs/dbraw/zinc/16/27/20/920162720.db2.gz DGICXONCRPAAJQ-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1cnoc1 ZINC001370768459 920166122 /nfs/dbraw/zinc/16/61/22/920166122.db2.gz GVVXDFKJROJVOA-RYUDHWBXSA-N 1 1 310.354 -1.095 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001370767677 920166825 /nfs/dbraw/zinc/16/68/25/920166825.db2.gz AMYVSOFQLDUHQM-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001370767677 920166835 /nfs/dbraw/zinc/16/68/35/920166835.db2.gz AMYVSOFQLDUHQM-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001370784291 920174405 /nfs/dbraw/zinc/17/44/05/920174405.db2.gz QIIFJVOMYVKTDS-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001370790999 920175933 /nfs/dbraw/zinc/17/59/33/920175933.db2.gz LMDOFNWOFYKTSC-LLVKDONJSA-N 1 1 309.374 -1.326 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001370795421 920180411 /nfs/dbraw/zinc/18/04/11/920180411.db2.gz DTXUKECHSMORDK-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001370810719 920186649 /nfs/dbraw/zinc/18/66/49/920186649.db2.gz VFQOUZNIDTZODU-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001370854148 920188237 /nfs/dbraw/zinc/18/82/37/920188237.db2.gz SJFMHWXZDHONHV-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)n1 ZINC001370862003 920188322 /nfs/dbraw/zinc/18/83/22/920188322.db2.gz LXQXNCGFTNZTJX-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001370913369 920191293 /nfs/dbraw/zinc/19/12/93/920191293.db2.gz RRUVILBQGCZZIH-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cccn1 ZINC001370959173 920198297 /nfs/dbraw/zinc/19/82/97/920198297.db2.gz VOJSOSIVNRPSNF-QWHCGFSZSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnnn1C ZINC001370987539 920205978 /nfs/dbraw/zinc/20/59/78/920205978.db2.gz CXHHOAOMFOSOJX-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001370988995 920206415 /nfs/dbraw/zinc/20/64/15/920206415.db2.gz KHEBILSRAATHEA-LADJIXMOSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001370988995 920206431 /nfs/dbraw/zinc/20/64/31/920206431.db2.gz KHEBILSRAATHEA-LADJIXMOSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001370985489 920206671 /nfs/dbraw/zinc/20/66/71/920206671.db2.gz VPTPWJBQBXZIJE-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)c1cn[nH]n1 ZINC001371004413 920212463 /nfs/dbraw/zinc/21/24/63/920212463.db2.gz JDWRUANNTGWOIV-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371012194 920214820 /nfs/dbraw/zinc/21/48/20/920214820.db2.gz PFHICXGWFKGJFG-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371012191 920215012 /nfs/dbraw/zinc/21/50/12/920215012.db2.gz PFHICXGWFKGJFG-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001371015701 920216425 /nfs/dbraw/zinc/21/64/25/920216425.db2.gz AXNHHUSNZYENAI-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001371015938 920217104 /nfs/dbraw/zinc/21/71/04/920217104.db2.gz KSDLAKZNSHONED-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018380 920217888 /nfs/dbraw/zinc/21/78/88/920217888.db2.gz RYDJJOVXQFISDM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018380 920217900 /nfs/dbraw/zinc/21/79/00/920217900.db2.gz RYDJJOVXQFISDM-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371027236 920220006 /nfs/dbraw/zinc/22/00/06/920220006.db2.gz WIKNOSDHQVVXBC-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001371210555 920239513 /nfs/dbraw/zinc/23/95/13/920239513.db2.gz GQHUAUQZZYLOFB-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371236565 920240176 /nfs/dbraw/zinc/24/01/76/920240176.db2.gz BMBKISKZFPTVMC-ZANVPECISA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371303196 920243531 /nfs/dbraw/zinc/24/35/31/920243531.db2.gz BVBJHZYWHYLYOI-VIFPVBQESA-N 1 1 310.362 -2.764 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C)C(C)C ZINC001371435120 920251237 /nfs/dbraw/zinc/25/12/37/920251237.db2.gz XNZYDVXTNJUPCC-BXKDBHETSA-N 1 1 311.390 -1.035 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001371448610 920254138 /nfs/dbraw/zinc/25/41/38/920254138.db2.gz JHLWTXRUVCZDJG-IJLUTSLNSA-N 1 1 310.354 -1.086 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001371461084 920260575 /nfs/dbraw/zinc/26/05/75/920260575.db2.gz VRRTZRGYQDTPIM-VXGBXAGGSA-N 1 1 324.385 -1.543 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001371465793 920263028 /nfs/dbraw/zinc/26/30/28/920263028.db2.gz BTBVKPMJWRYJGG-GHMZBOCLSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001371465793 920263047 /nfs/dbraw/zinc/26/30/47/920263047.db2.gz BTBVKPMJWRYJGG-GHMZBOCLSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001371465793 920263065 /nfs/dbraw/zinc/26/30/65/920263065.db2.gz BTBVKPMJWRYJGG-GHMZBOCLSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)c1nnnn1C ZINC001371499108 920267969 /nfs/dbraw/zinc/26/79/69/920267969.db2.gz BRTUYAVGGPLZTC-ONGXEEELSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001371514816 920272225 /nfs/dbraw/zinc/27/22/25/920272225.db2.gz OIWCNZNREPHXBU-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001371527576 920277732 /nfs/dbraw/zinc/27/77/32/920277732.db2.gz DUOFCJCJLOYFFP-PWSUYJOCSA-N 1 1 324.385 -1.543 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001371536745 920281010 /nfs/dbraw/zinc/28/10/10/920281010.db2.gz VACVQKUXXFRPCM-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371536745 920281023 /nfs/dbraw/zinc/28/10/23/920281023.db2.gz VACVQKUXXFRPCM-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371536745 920281040 /nfs/dbraw/zinc/28/10/40/920281040.db2.gz VACVQKUXXFRPCM-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001371541994 920283431 /nfs/dbraw/zinc/28/34/31/920283431.db2.gz WNMYBSKAESJKSK-ZJUUUORDSA-N 1 1 310.358 -1.634 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1O ZINC001371540083 920284726 /nfs/dbraw/zinc/28/47/26/920284726.db2.gz DPTSLDSFDQQQFE-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001371558700 920285951 /nfs/dbraw/zinc/28/59/51/920285951.db2.gz UFFWYXOLLWUQAF-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001371556488 920286943 /nfs/dbraw/zinc/28/69/43/920286943.db2.gz WQTMRHYWHXWHGQ-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001371549476 920287267 /nfs/dbraw/zinc/28/72/67/920287267.db2.gz ADTMEQILYWNVJF-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001371622537 920290937 /nfs/dbraw/zinc/29/09/37/920290937.db2.gz UQXXRAMZOCYCOZ-STQMWFEESA-N 1 1 312.414 -1.122 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001371622531 920291025 /nfs/dbraw/zinc/29/10/25/920291025.db2.gz UQXXRAMZOCYCOZ-QWHCGFSZSA-N 1 1 312.414 -1.122 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001371622499 920292060 /nfs/dbraw/zinc/29/20/60/920292060.db2.gz UQXXRAMZOCYCOZ-CHWSQXEVSA-N 1 1 312.414 -1.122 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001371696093 920294273 /nfs/dbraw/zinc/29/42/73/920294273.db2.gz ZOEYYPWPDDVHTB-LLVKDONJSA-N 1 1 324.385 -1.260 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001371696093 920294286 /nfs/dbraw/zinc/29/42/86/920294286.db2.gz ZOEYYPWPDDVHTB-LLVKDONJSA-N 1 1 324.385 -1.260 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001371698201 920294348 /nfs/dbraw/zinc/29/43/48/920294348.db2.gz FUJNLBZNNZARFL-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCn1cncn1 ZINC001371921087 920309252 /nfs/dbraw/zinc/30/92/52/920309252.db2.gz YLHDWWHHGDVEQM-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC001371921087 920309264 /nfs/dbraw/zinc/30/92/64/920309264.db2.gz YLHDWWHHGDVEQM-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[N@H+](CCNC(=O)c1cnsn1)CCNS(C)(=O)=O ZINC001371922345 920310649 /nfs/dbraw/zinc/31/06/49/920310649.db2.gz NTHGJLJSJZIIPH-UHFFFAOYSA-N 1 1 307.401 -1.251 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnsn1)CCNS(C)(=O)=O ZINC001371922345 920310665 /nfs/dbraw/zinc/31/06/65/920310665.db2.gz NTHGJLJSJZIIPH-UHFFFAOYSA-N 1 1 307.401 -1.251 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001371951068 920311605 /nfs/dbraw/zinc/31/16/05/920311605.db2.gz MNGJPVWYAYEXDL-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001371951068 920311617 /nfs/dbraw/zinc/31/16/17/920311617.db2.gz MNGJPVWYAYEXDL-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO Cn1ccc(C[N@H+](C)CCNC(=O)CS(C)(=O)=O)cc1=O ZINC001371928676 920311660 /nfs/dbraw/zinc/31/16/60/920311660.db2.gz IGTHAPJMUFAHPB-UHFFFAOYSA-N 1 1 315.395 -1.022 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCNC(=O)CS(C)(=O)=O)cc1=O ZINC001371928676 920311674 /nfs/dbraw/zinc/31/16/74/920311674.db2.gz IGTHAPJMUFAHPB-UHFFFAOYSA-N 1 1 315.395 -1.022 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953649 920311809 /nfs/dbraw/zinc/31/18/09/920311809.db2.gz SEPQLBPVRSDGNG-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953649 920311826 /nfs/dbraw/zinc/31/18/26/920311826.db2.gz SEPQLBPVRSDGNG-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001371953636 920314731 /nfs/dbraw/zinc/31/47/31/920314731.db2.gz SEPQLBPVRSDGNG-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H](C)n1cncn1 ZINC001371953636 920314747 /nfs/dbraw/zinc/31/47/47/920314747.db2.gz SEPQLBPVRSDGNG-BDAKNGLRSA-N 1 1 311.346 -1.530 20 0 DAADMO CC(C)NC(=O)CN(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001371938812 920314853 /nfs/dbraw/zinc/31/48/53/920314853.db2.gz IROJSFXLNFPADK-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO CC(C)NC(=O)CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001371938812 920314870 /nfs/dbraw/zinc/31/48/70/920314870.db2.gz IROJSFXLNFPADK-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001371965136 920314928 /nfs/dbraw/zinc/31/49/28/920314928.db2.gz SANXTMCFXHSLJQ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001371965136 920314945 /nfs/dbraw/zinc/31/49/45/920314945.db2.gz SANXTMCFXHSLJQ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N1CCCC1 ZINC001371939015 920315223 /nfs/dbraw/zinc/31/52/23/920315223.db2.gz JTBWTYRVLVLLJB-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N1CCCC1 ZINC001371939015 920315249 /nfs/dbraw/zinc/31/52/49/920315249.db2.gz JTBWTYRVLVLLJB-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001371970429 920316423 /nfs/dbraw/zinc/31/64/23/920316423.db2.gz SDPNYPLNODLKHM-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001371970429 920316435 /nfs/dbraw/zinc/31/64/35/920316435.db2.gz SDPNYPLNODLKHM-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC[C@H]1CCCO1 ZINC001371970922 920317470 /nfs/dbraw/zinc/31/74/70/920317470.db2.gz UGMIMQPUQJLTBJ-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)CN2CCOCC2=O)cn1 ZINC001371996800 920321209 /nfs/dbraw/zinc/32/12/09/920321209.db2.gz RQIZMEIYHFIGHI-UHFFFAOYSA-N 1 1 309.370 -1.173 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)CN2CCOCC2=O)cn1 ZINC001371996800 920321224 /nfs/dbraw/zinc/32/12/24/920321224.db2.gz RQIZMEIYHFIGHI-UHFFFAOYSA-N 1 1 309.370 -1.173 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)CC1=O ZINC001371994867 920321550 /nfs/dbraw/zinc/32/15/50/920321550.db2.gz LGGDLEZMQQGPLY-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001372002221 920322332 /nfs/dbraw/zinc/32/23/32/920322332.db2.gz TZTGPYBJNSMIGU-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+](CCNC(=O)c1ccnc2ccnn21)CC(=O)NC(N)=O ZINC001372000257 920323485 /nfs/dbraw/zinc/32/34/85/920323485.db2.gz TXDSBSQEUCQAHL-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccnc2ccnn21)CC(=O)NC(N)=O ZINC001372000257 920323497 /nfs/dbraw/zinc/32/34/97/920323497.db2.gz TXDSBSQEUCQAHL-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001372023891 920325035 /nfs/dbraw/zinc/32/50/35/920325035.db2.gz BUPOPAYMJARSTM-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO COc1cnc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)nc1 ZINC001372028428 920325969 /nfs/dbraw/zinc/32/59/69/920325969.db2.gz LLEWMDWOJJNBIF-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cnc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)nc1 ZINC001372028428 920325980 /nfs/dbraw/zinc/32/59/80/920325980.db2.gz LLEWMDWOJJNBIF-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)CC1=O ZINC001372025456 920326271 /nfs/dbraw/zinc/32/62/71/920326271.db2.gz PEDUBZDAAGLSBY-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO COCCn1nc(C(=O)NCC[N@@H+](C)C[C@@H](C)O)ccc1=O ZINC001372033080 920329182 /nfs/dbraw/zinc/32/91/82/920329182.db2.gz YLEYNQOXMWONEB-LLVKDONJSA-N 1 1 312.370 -1.068 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)c1=O ZINC001372051808 920330467 /nfs/dbraw/zinc/33/04/67/920330467.db2.gz HKUPWEXXDHKPGG-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)c1=O ZINC001372051808 920330484 /nfs/dbraw/zinc/33/04/84/920330484.db2.gz HKUPWEXXDHKPGG-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372103914 920335815 /nfs/dbraw/zinc/33/58/15/920335815.db2.gz QDSYYADKZBEOFG-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372103914 920335837 /nfs/dbraw/zinc/33/58/37/920335837.db2.gz QDSYYADKZBEOFG-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372090666 920336181 /nfs/dbraw/zinc/33/61/81/920336181.db2.gz GQIBRHYWQJDLAH-SSDOTTSWSA-N 1 1 300.319 -2.829 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001372090666 920336200 /nfs/dbraw/zinc/33/62/00/920336200.db2.gz GQIBRHYWQJDLAH-SSDOTTSWSA-N 1 1 300.319 -2.829 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001372135695 920339268 /nfs/dbraw/zinc/33/92/68/920339268.db2.gz XHWWODYSRLHDPS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001372135695 920339286 /nfs/dbraw/zinc/33/92/86/920339286.db2.gz XHWWODYSRLHDPS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001372137288 920339693 /nfs/dbraw/zinc/33/96/93/920339693.db2.gz NVWNOZKKQOCXQH-SNVBAGLBSA-N 1 1 323.353 -2.366 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001372137288 920339706 /nfs/dbraw/zinc/33/97/06/920339706.db2.gz NVWNOZKKQOCXQH-SNVBAGLBSA-N 1 1 323.353 -2.366 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001372134663 920340117 /nfs/dbraw/zinc/34/01/17/920340117.db2.gz VVZCJVYWWXRGDT-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001372192670 920342454 /nfs/dbraw/zinc/34/24/54/920342454.db2.gz ZOYBGPMKVHZXLP-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001372204436 920342928 /nfs/dbraw/zinc/34/29/28/920342928.db2.gz QQPSWDBTIZPVAW-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001372204436 920342944 /nfs/dbraw/zinc/34/29/44/920342944.db2.gz QQPSWDBTIZPVAW-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001372167538 920344453 /nfs/dbraw/zinc/34/44/53/920344453.db2.gz DOLHMJDWIRESBL-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001372167538 920344467 /nfs/dbraw/zinc/34/44/67/920344467.db2.gz DOLHMJDWIRESBL-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO COCC(=O)NCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001372203102 920345033 /nfs/dbraw/zinc/34/50/33/920345033.db2.gz BQAIIVZKFWAQEI-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001372210306 920347394 /nfs/dbraw/zinc/34/73/94/920347394.db2.gz LJSLJJJOGAXDSP-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@@H]1CCOC1 ZINC001372224880 920347834 /nfs/dbraw/zinc/34/78/34/920347834.db2.gz XFKWVMRQURTCBV-QWRGUYRKSA-N 1 1 305.400 -1.237 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001372258232 920354969 /nfs/dbraw/zinc/35/49/69/920354969.db2.gz PBDWZAMZNLTDGQ-MNOVXSKESA-N 1 1 302.375 -1.415 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001372255780 920356803 /nfs/dbraw/zinc/35/68/03/920356803.db2.gz MMCRPFHZXNFWKT-NSHDSACASA-N 1 1 310.354 -1.151 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)OC)CCN1CCNC1=O ZINC001372275944 920358285 /nfs/dbraw/zinc/35/82/85/920358285.db2.gz MFPOOERKSAKQDU-UHFFFAOYSA-N 1 1 315.374 -1.194 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001372264517 920359993 /nfs/dbraw/zinc/35/99/93/920359993.db2.gz URKBMUHTCPYPSZ-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cc[nH]n1)[C@@H](C)C(=O)NC(N)=O ZINC001372291957 920360752 /nfs/dbraw/zinc/36/07/52/920360752.db2.gz CKNJNRLJVKIENX-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cc[nH]n1)[C@@H](C)C(=O)NC(N)=O ZINC001372291957 920360767 /nfs/dbraw/zinc/36/07/67/920360767.db2.gz CKNJNRLJVKIENX-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CN(C(C)=O)C1)C[C@@H](O)COC ZINC001372320099 920363942 /nfs/dbraw/zinc/36/39/42/920363942.db2.gz PASBGBVNKTVFKW-CYBMUJFWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCNC(=O)CCc1ccn(C)n1)CC(=O)NC(N)=O ZINC001372334438 920364863 /nfs/dbraw/zinc/36/48/63/920364863.db2.gz TVCKETCTVHKBAK-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)CCc1ccn(C)n1)CC(=O)NC(N)=O ZINC001372334438 920364878 /nfs/dbraw/zinc/36/48/78/920364878.db2.gz TVCKETCTVHKBAK-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)c1nnn(C)n1 ZINC001372392741 920366523 /nfs/dbraw/zinc/36/65/23/920366523.db2.gz TVUXLVXFQMYHHV-UHFFFAOYSA-N 1 1 318.403 -1.304 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)c1nnn(C)n1 ZINC001372392741 920366538 /nfs/dbraw/zinc/36/65/38/920366538.db2.gz TVUXLVXFQMYHHV-UHFFFAOYSA-N 1 1 318.403 -1.304 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C[C@@H](O)COC ZINC001372393105 920367128 /nfs/dbraw/zinc/36/71/28/920367128.db2.gz CXELFFFTWDKRMN-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO CC[N@H+](CCNC(=O)c1c(C)c(C)nn(C)c1=O)CC(N)=O ZINC001372392976 920367194 /nfs/dbraw/zinc/36/71/94/920367194.db2.gz ZTMWVIQPFUITSQ-UHFFFAOYSA-N 1 1 309.370 -1.066 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c(C)c(C)nn(C)c1=O)CC(N)=O ZINC001372392976 920367210 /nfs/dbraw/zinc/36/72/10/920367210.db2.gz ZTMWVIQPFUITSQ-UHFFFAOYSA-N 1 1 309.370 -1.066 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)[C@@H](C)C(=O)NC1CC1 ZINC001372392692 920367637 /nfs/dbraw/zinc/36/76/37/920367637.db2.gz RXMFVVTZVQGQCR-VIFPVBQESA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H](C)C(=O)NC1CC1 ZINC001372392692 920367654 /nfs/dbraw/zinc/36/76/54/920367654.db2.gz RXMFVVTZVQGQCR-VIFPVBQESA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@@H]1CCCNC1=O ZINC001372448628 920372422 /nfs/dbraw/zinc/37/24/22/920372422.db2.gz YKNYGFNHPQJKJH-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001372468820 920374956 /nfs/dbraw/zinc/37/49/56/920374956.db2.gz BWPXUAUOCLKLMR-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001372468820 920374970 /nfs/dbraw/zinc/37/49/70/920374970.db2.gz BWPXUAUOCLKLMR-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001372468819 920375138 /nfs/dbraw/zinc/37/51/38/920375138.db2.gz BWPXUAUOCLKLMR-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001372468819 920375154 /nfs/dbraw/zinc/37/51/54/920375154.db2.gz BWPXUAUOCLKLMR-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(=O)NC ZINC001372471291 920375189 /nfs/dbraw/zinc/37/51/89/920375189.db2.gz YWNCRKGRHYWHFZ-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(=O)NC ZINC001372471291 920375203 /nfs/dbraw/zinc/37/52/03/920375203.db2.gz YWNCRKGRHYWHFZ-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(C(N)=O)ccn1)CC(=O)NC ZINC001372482256 920375267 /nfs/dbraw/zinc/37/52/67/920375267.db2.gz ZQTVDAJSHUBEFN-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(C(N)=O)ccn1)CC(=O)NC ZINC001372482256 920375281 /nfs/dbraw/zinc/37/52/81/920375281.db2.gz ZQTVDAJSHUBEFN-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001372491309 920378193 /nfs/dbraw/zinc/37/81/93/920378193.db2.gz LUDMAYDDZXDMOG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001372514699 920379659 /nfs/dbraw/zinc/37/96/59/920379659.db2.gz XTVDCPVUGCBQEN-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001372514699 920379672 /nfs/dbraw/zinc/37/96/72/920379672.db2.gz XTVDCPVUGCBQEN-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001372513964 920381317 /nfs/dbraw/zinc/38/13/17/920381317.db2.gz NVOJRCNPJGSHLU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001372513964 920381327 /nfs/dbraw/zinc/38/13/27/920381327.db2.gz NVOJRCNPJGSHLU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001372532150 920382446 /nfs/dbraw/zinc/38/24/46/920382446.db2.gz LJTFMSXPVNIFPR-JTQLQIEISA-N 1 1 310.395 -1.020 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001372542179 920382476 /nfs/dbraw/zinc/38/24/76/920382476.db2.gz AYIYSCAIALPNHL-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001372542179 920382489 /nfs/dbraw/zinc/38/24/89/920382489.db2.gz AYIYSCAIALPNHL-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001372542171 920383217 /nfs/dbraw/zinc/38/32/17/920383217.db2.gz AYIYSCAIALPNHL-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001372542171 920383228 /nfs/dbraw/zinc/38/32/28/920383228.db2.gz AYIYSCAIALPNHL-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001372540912 920384561 /nfs/dbraw/zinc/38/45/61/920384561.db2.gz KNMXPYJUYRCMGU-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001372540912 920384570 /nfs/dbraw/zinc/38/45/70/920384570.db2.gz KNMXPYJUYRCMGU-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001372536904 920384862 /nfs/dbraw/zinc/38/48/62/920384862.db2.gz SCWBGIKFVBSQHZ-XYPYZODXSA-N 1 1 309.374 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001372565311 920385820 /nfs/dbraw/zinc/38/58/20/920385820.db2.gz MIDWXMABHBUNTB-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001372555202 920386994 /nfs/dbraw/zinc/38/69/94/920386994.db2.gz YRQUJKLJFIOKRK-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cnccc1=O ZINC001372551724 920387616 /nfs/dbraw/zinc/38/76/16/920387616.db2.gz IDNMYXKCJLKPHP-LLVKDONJSA-N 1 1 307.354 -1.301 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnccc1=O ZINC001372551724 920387631 /nfs/dbraw/zinc/38/76/31/920387631.db2.gz IDNMYXKCJLKPHP-LLVKDONJSA-N 1 1 307.354 -1.301 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001372558704 920387732 /nfs/dbraw/zinc/38/77/32/920387732.db2.gz UWKGXRBGIPYDMO-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001372558704 920387741 /nfs/dbraw/zinc/38/77/41/920387741.db2.gz UWKGXRBGIPYDMO-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001372565222 920388108 /nfs/dbraw/zinc/38/81/08/920388108.db2.gz LMGROYAIWCPTLS-MGCOHNPYSA-N 1 1 309.374 -1.073 20 0 DAADMO COCC(=O)NC[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001372593667 920389072 /nfs/dbraw/zinc/38/90/72/920389072.db2.gz USXXJLYXFFUUDZ-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO COCC(=O)NC[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001372593669 920389979 /nfs/dbraw/zinc/38/99/79/920389979.db2.gz USXXJLYXFFUUDZ-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001372609764 920390597 /nfs/dbraw/zinc/39/05/97/920390597.db2.gz HZYPFWJRLPACMA-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001372611437 920390965 /nfs/dbraw/zinc/39/09/65/920390965.db2.gz BHIAITBPSJZZQI-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC001372643204 920392831 /nfs/dbraw/zinc/39/28/31/920392831.db2.gz WVXVSSVDOBVKKD-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001372617280 920393177 /nfs/dbraw/zinc/39/31/77/920393177.db2.gz LTCZOOFXAQEJRW-GFCCVEGCSA-N 1 1 324.381 -1.633 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001372653232 920393389 /nfs/dbraw/zinc/39/33/89/920393389.db2.gz JSCLGENSUJVKOQ-UXCLJVHYSA-N 1 1 310.354 -1.488 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001372618050 920394534 /nfs/dbraw/zinc/39/45/34/920394534.db2.gz XWWHHBOILNRNCU-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001372627643 920395296 /nfs/dbraw/zinc/39/52/96/920395296.db2.gz NUMQHCUIXSRLEA-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001372633112 920395677 /nfs/dbraw/zinc/39/56/77/920395677.db2.gz OBELMVULFJAZHP-JTQLQIEISA-N 1 1 310.358 -2.105 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001372671774 920397354 /nfs/dbraw/zinc/39/73/54/920397354.db2.gz ZXPPZAPGJYPGMD-DTWKUNHWSA-N 1 1 324.341 -1.035 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001372664954 920399320 /nfs/dbraw/zinc/39/93/20/920399320.db2.gz FBGIUEHWWLRQEO-SECBINFHSA-N 1 1 323.357 -1.759 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372703981 920401970 /nfs/dbraw/zinc/40/19/70/920401970.db2.gz IHPQHDYURACUPQ-CXTNEJHOSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372791274 920412719 /nfs/dbraw/zinc/41/27/19/920412719.db2.gz FLLXRQGZUWWGLG-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372791274 920412726 /nfs/dbraw/zinc/41/27/26/920412726.db2.gz FLLXRQGZUWWGLG-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO CN(C(=O)C[N@H+](CCNC(=O)Cn1ncnn1)C1CC1)C1CC1 ZINC001372804392 920416893 /nfs/dbraw/zinc/41/68/93/920416893.db2.gz OSCUZWZGZFNNEJ-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1)C1CC1 ZINC001372804392 920416900 /nfs/dbraw/zinc/41/69/00/920416900.db2.gz OSCUZWZGZFNNEJ-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001372804365 920417837 /nfs/dbraw/zinc/41/78/37/920417837.db2.gz OKMISJIKYULOSW-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001372804365 920417845 /nfs/dbraw/zinc/41/78/45/920417845.db2.gz OKMISJIKYULOSW-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372831199 920419157 /nfs/dbraw/zinc/41/91/57/920419157.db2.gz MYHUSPHCVARRLI-GXSJLCMTSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372831199 920419163 /nfs/dbraw/zinc/41/91/63/920419163.db2.gz MYHUSPHCVARRLI-GXSJLCMTSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001372861381 920424123 /nfs/dbraw/zinc/42/41/23/920424123.db2.gz RNHSXXXHLOPEQX-APPZFPTMSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001372861381 920424137 /nfs/dbraw/zinc/42/41/37/920424137.db2.gz RNHSXXXHLOPEQX-APPZFPTMSA-N 1 1 311.342 -1.961 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001372902542 920430679 /nfs/dbraw/zinc/43/06/79/920430679.db2.gz DMGNENDMJPTGKT-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001372902542 920430695 /nfs/dbraw/zinc/43/06/95/920430695.db2.gz DMGNENDMJPTGKT-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001372908068 920433779 /nfs/dbraw/zinc/43/37/79/920433779.db2.gz MGEAZXFZXCXHQR-SNVBAGLBSA-N 1 1 312.374 -1.055 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001372935626 920439799 /nfs/dbraw/zinc/43/97/99/920439799.db2.gz KNFYCBQAWNJYPO-SECBINFHSA-N 1 1 322.373 -1.182 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001372978833 920445400 /nfs/dbraw/zinc/44/54/00/920445400.db2.gz ZBJRYNZFFDRMCI-SCZZXKLOSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001373024535 920451223 /nfs/dbraw/zinc/45/12/23/920451223.db2.gz CWOWQGINTACYGQ-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373035113 920452878 /nfs/dbraw/zinc/45/28/78/920452878.db2.gz UJAICYLYVVOYFK-BDAKNGLRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373035113 920452883 /nfs/dbraw/zinc/45/28/83/920452883.db2.gz UJAICYLYVVOYFK-BDAKNGLRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373035130 920453114 /nfs/dbraw/zinc/45/31/14/920453114.db2.gz UJAICYLYVVOYFK-RKDXNWHRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373035130 920453124 /nfs/dbraw/zinc/45/31/24/920453124.db2.gz UJAICYLYVVOYFK-RKDXNWHRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373035118 920453791 /nfs/dbraw/zinc/45/37/91/920453791.db2.gz UJAICYLYVVOYFK-DTWKUNHWSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373035118 920453804 /nfs/dbraw/zinc/45/38/04/920453804.db2.gz UJAICYLYVVOYFK-DTWKUNHWSA-N 1 1 311.346 -2.225 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCF)C1 ZINC001373197386 920467070 /nfs/dbraw/zinc/46/70/70/920467070.db2.gz AJNOYIQEZSMXDY-SNVBAGLBSA-N 1 1 310.395 -1.162 20 0 DAADMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001373247308 920468191 /nfs/dbraw/zinc/46/81/91/920468191.db2.gz PMALROYZILTPCG-SNVBAGLBSA-N 1 1 310.354 -1.080 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001373259018 920468496 /nfs/dbraw/zinc/46/84/96/920468496.db2.gz OVARFMJVIPBQBM-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001373259018 920468500 /nfs/dbraw/zinc/46/85/00/920468500.db2.gz OVARFMJVIPBQBM-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001373235623 920469955 /nfs/dbraw/zinc/46/99/55/920469955.db2.gz CFNICUXYDLBGBW-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001373287634 920473547 /nfs/dbraw/zinc/47/35/47/920473547.db2.gz IFCQKZHBYMOJKX-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001373313760 920475831 /nfs/dbraw/zinc/47/58/31/920475831.db2.gz NQGXNJCOBXRAKY-UWVGGRQHSA-N 1 1 320.415 -1.810 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001373301631 920476483 /nfs/dbraw/zinc/47/64/83/920476483.db2.gz QMZKWUQHXTYTLR-LLVKDONJSA-N 1 1 322.431 -1.845 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001373322612 920476905 /nfs/dbraw/zinc/47/69/05/920476905.db2.gz YANWIODAVSOKII-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001373356465 920477868 /nfs/dbraw/zinc/47/78/68/920477868.db2.gz QABZBLRUHQFTOV-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001373353927 920479110 /nfs/dbraw/zinc/47/91/10/920479110.db2.gz NEWJCSLSJRXDPR-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001373369081 920480544 /nfs/dbraw/zinc/48/05/44/920480544.db2.gz DIICUYDXIUROEJ-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373370465 920481105 /nfs/dbraw/zinc/48/11/05/920481105.db2.gz UXGADQGTCOGPPU-VWYCJHECSA-N 1 1 301.343 -1.317 20 0 DAADMO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001373360977 920482249 /nfs/dbraw/zinc/48/22/49/920482249.db2.gz GMAMGSQEVHIYGA-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001373360977 920482260 /nfs/dbraw/zinc/48/22/60/920482260.db2.gz GMAMGSQEVHIYGA-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001373366355 920482687 /nfs/dbraw/zinc/48/26/87/920482687.db2.gz LQXQUYBPGPVZMQ-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001373366355 920482699 /nfs/dbraw/zinc/48/26/99/920482699.db2.gz LQXQUYBPGPVZMQ-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1nnc[nH]1 ZINC001373388501 920483672 /nfs/dbraw/zinc/48/36/72/920483672.db2.gz JNRKABOYWCKSEU-SNVBAGLBSA-N 1 1 310.358 -1.748 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1nnc[nH]1 ZINC001373388501 920483680 /nfs/dbraw/zinc/48/36/80/920483680.db2.gz JNRKABOYWCKSEU-SNVBAGLBSA-N 1 1 310.358 -1.748 20 0 DAADMO CN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373386971 920483833 /nfs/dbraw/zinc/48/38/33/920483833.db2.gz ALPMHNCLQUCPKU-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373386971 920483843 /nfs/dbraw/zinc/48/38/43/920483843.db2.gz ALPMHNCLQUCPKU-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373386970 920484202 /nfs/dbraw/zinc/48/42/02/920484202.db2.gz ALPMHNCLQUCPKU-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373386970 920484215 /nfs/dbraw/zinc/48/42/15/920484215.db2.gz ALPMHNCLQUCPKU-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001373389336 920485837 /nfs/dbraw/zinc/48/58/37/920485837.db2.gz VDJOEYDQDWJVGH-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1c[nH]c(=O)cn1 ZINC001373388119 920486288 /nfs/dbraw/zinc/48/62/88/920486288.db2.gz GOWYTYYZZMDRAT-NSHDSACASA-N 1 1 323.353 -1.711 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1c[nH]c(=O)cn1 ZINC001373388119 920486299 /nfs/dbraw/zinc/48/62/99/920486299.db2.gz GOWYTYYZZMDRAT-NSHDSACASA-N 1 1 323.353 -1.711 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)C1(NC(N)=O)CC1 ZINC001373405630 920487415 /nfs/dbraw/zinc/48/74/15/920487415.db2.gz NNOWILRLFXSOBW-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001373395421 920488434 /nfs/dbraw/zinc/48/84/34/920488434.db2.gz PTHHTRAVSSOHLE-DCAQKATOSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001373395421 920488446 /nfs/dbraw/zinc/48/84/46/920488446.db2.gz PTHHTRAVSSOHLE-DCAQKATOSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001373407480 920489000 /nfs/dbraw/zinc/48/90/00/920489000.db2.gz ORNUZKKEUMQDGE-VXGBXAGGSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001373407480 920489011 /nfs/dbraw/zinc/48/90/11/920489011.db2.gz ORNUZKKEUMQDGE-VXGBXAGGSA-N 1 1 324.385 -1.256 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373396128 920489782 /nfs/dbraw/zinc/48/97/82/920489782.db2.gz UXGADQGTCOGPPU-AXFHLTTASA-N 1 1 301.343 -1.317 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373422889 920491945 /nfs/dbraw/zinc/49/19/45/920491945.db2.gz OQQATTWKZQJBBR-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373422889 920491959 /nfs/dbraw/zinc/49/19/59/920491959.db2.gz OQQATTWKZQJBBR-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001373453593 920501630 /nfs/dbraw/zinc/50/16/30/920501630.db2.gz FLGTVJFVSLXLDR-JTQLQIEISA-N 1 1 305.400 -1.443 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(=O)n(C)cn1 ZINC001373453447 920502770 /nfs/dbraw/zinc/50/27/70/920502770.db2.gz DGQYCDZGAKCLJY-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN2CN=NC2=O)CC[N@H+]1C ZINC001373474379 920505318 /nfs/dbraw/zinc/50/53/18/920505318.db2.gz RSPNUNNALDKSMG-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373465350 920506357 /nfs/dbraw/zinc/50/63/57/920506357.db2.gz WYHLAELGVCVCKU-NXEZZACHSA-N 1 1 305.400 -1.239 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001373490657 920506820 /nfs/dbraw/zinc/50/68/20/920506820.db2.gz FMUQWIGJELFBAL-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001373480798 920508092 /nfs/dbraw/zinc/50/80/92/920508092.db2.gz IWMGKBMGFATQKE-GXFFZTMASA-N 1 1 317.411 -1.237 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001373486723 920508347 /nfs/dbraw/zinc/50/83/47/920508347.db2.gz AENGXSRCORGYJV-UHFFFAOYSA-N 1 1 306.432 -1.324 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001373480801 920508402 /nfs/dbraw/zinc/50/84/02/920508402.db2.gz IWMGKBMGFATQKE-MFKMUULPSA-N 1 1 317.411 -1.237 20 0 DAADMO O=C(Cn1cnnn1)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001373494559 920511353 /nfs/dbraw/zinc/51/13/53/920511353.db2.gz CNAZCABOVZETQX-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001373510814 920513771 /nfs/dbraw/zinc/51/37/71/920513771.db2.gz ASPHMRFDYCCFMB-SNVBAGLBSA-N 1 1 312.370 -1.972 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001373509124 920514419 /nfs/dbraw/zinc/51/44/19/920514419.db2.gz IYHYYUQVVXXESB-VIFPVBQESA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001373567037 920523795 /nfs/dbraw/zinc/52/37/95/920523795.db2.gz ZONLOMOPPCNJHV-SRVKXCTJSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001373570185 920526257 /nfs/dbraw/zinc/52/62/57/920526257.db2.gz ZQJYMBRQPWQJHR-RYUDHWBXSA-N 1 1 314.361 -1.117 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)OC ZINC001373579076 920527848 /nfs/dbraw/zinc/52/78/48/920527848.db2.gz IIQVZZJVXBOCRV-VWYCJHECSA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)OC ZINC001373579076 920527863 /nfs/dbraw/zinc/52/78/63/920527863.db2.gz IIQVZZJVXBOCRV-VWYCJHECSA-N 1 1 305.400 -1.144 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001373574150 920528050 /nfs/dbraw/zinc/52/80/50/920528050.db2.gz YFAKWTPEQYIMOP-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001373569909 920528168 /nfs/dbraw/zinc/52/81/68/920528168.db2.gz VIHOOJZISRWNEB-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001373569909 920528179 /nfs/dbraw/zinc/52/81/79/920528179.db2.gz VIHOOJZISRWNEB-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)C1 ZINC001373571183 920528586 /nfs/dbraw/zinc/52/85/86/920528586.db2.gz OYZYDORQDIWHNU-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001373590345 920530616 /nfs/dbraw/zinc/53/06/16/920530616.db2.gz MNGXKNWNJDZNHY-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001373596289 920530896 /nfs/dbraw/zinc/53/08/96/920530896.db2.gz RIWQUVCHPRJCJV-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001373596289 920530905 /nfs/dbraw/zinc/53/09/05/920530905.db2.gz RIWQUVCHPRJCJV-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373592594 920531120 /nfs/dbraw/zinc/53/11/20/920531120.db2.gz UROIYXDJLCXDMO-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373592594 920531127 /nfs/dbraw/zinc/53/11/27/920531127.db2.gz UROIYXDJLCXDMO-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001373596120 920531996 /nfs/dbraw/zinc/53/19/96/920531996.db2.gz MFIQIHKKOPLCGQ-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCCO)C1)C(N)=O ZINC001373607250 920534852 /nfs/dbraw/zinc/53/48/52/920534852.db2.gz QBMQNUJEGWSLTN-QWRGUYRKSA-N 1 1 300.359 -2.061 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001373616409 920536267 /nfs/dbraw/zinc/53/62/67/920536267.db2.gz XQMKDOGHWCYXRA-JTQLQIEISA-N 1 1 312.374 -1.740 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373634850 920541399 /nfs/dbraw/zinc/54/13/99/920541399.db2.gz MEBAKCDZJGDCPR-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373644607 920545731 /nfs/dbraw/zinc/54/57/31/920545731.db2.gz PVAGXBKZJFUVRT-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373644607 920545746 /nfs/dbraw/zinc/54/57/46/920545746.db2.gz PVAGXBKZJFUVRT-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO CN(C(=O)CC(C)(C)O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373664527 920548378 /nfs/dbraw/zinc/54/83/78/920548378.db2.gz JAYXWBXMMOPYQI-VIFPVBQESA-N 1 1 300.359 -1.125 20 0 DAADMO CN(C(=O)CC(C)(C)O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373664527 920548385 /nfs/dbraw/zinc/54/83/85/920548385.db2.gz JAYXWBXMMOPYQI-VIFPVBQESA-N 1 1 300.359 -1.125 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373673302 920548971 /nfs/dbraw/zinc/54/89/71/920548971.db2.gz PHBDWKYJOATEJU-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001373672517 920550115 /nfs/dbraw/zinc/55/01/15/920550115.db2.gz KUWMJWKWTSIGKI-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373667155 920550270 /nfs/dbraw/zinc/55/02/70/920550270.db2.gz QOZOFIXDJICVCH-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373667155 920550282 /nfs/dbraw/zinc/55/02/82/920550282.db2.gz QOZOFIXDJICVCH-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CN2CN=NC2=O)C1 ZINC001373697091 920551633 /nfs/dbraw/zinc/55/16/33/920551633.db2.gz MBPUXFSDPXMWBM-NSHDSACASA-N 1 1 324.385 -1.100 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373691185 920551699 /nfs/dbraw/zinc/55/16/99/920551699.db2.gz ZLBCPJHVTILWFP-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373691185 920551716 /nfs/dbraw/zinc/55/17/16/920551716.db2.gz ZLBCPJHVTILWFP-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001373711632 920552202 /nfs/dbraw/zinc/55/22/02/920552202.db2.gz VKWYTZODYAGQPT-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001373711632 920552210 /nfs/dbraw/zinc/55/22/10/920552210.db2.gz VKWYTZODYAGQPT-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373707533 920552946 /nfs/dbraw/zinc/55/29/46/920552946.db2.gz IKSOOOFJWCMYMX-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373707533 920552964 /nfs/dbraw/zinc/55/29/64/920552964.db2.gz IKSOOOFJWCMYMX-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373691181 920553310 /nfs/dbraw/zinc/55/33/10/920553310.db2.gz ZLBCPJHVTILWFP-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373691181 920553319 /nfs/dbraw/zinc/55/33/19/920553319.db2.gz ZLBCPJHVTILWFP-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCCC(N)=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373693016 920553751 /nfs/dbraw/zinc/55/37/51/920553751.db2.gz AVACKLQJZGKDLJ-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO CN(C(=O)CCCC(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373693016 920553756 /nfs/dbraw/zinc/55/37/56/920553756.db2.gz AVACKLQJZGKDLJ-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO CCN(CCNC(=O)CNC(C)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373736748 920555941 /nfs/dbraw/zinc/55/59/41/920555941.db2.gz AETOLWLYKINBGR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)CNC(C)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373736748 920555954 /nfs/dbraw/zinc/55/59/54/920555954.db2.gz AETOLWLYKINBGR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001373824851 920564563 /nfs/dbraw/zinc/56/45/63/920564563.db2.gz FOBLNURMPGXYBT-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001373843202 920565708 /nfs/dbraw/zinc/56/57/08/920565708.db2.gz PHVMHENZRJWXCH-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001373931349 920570446 /nfs/dbraw/zinc/57/04/46/920570446.db2.gz JCQJCUDBUHSTJK-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1CCC[N@H+]1C ZINC001373931350 920571960 /nfs/dbraw/zinc/57/19/60/920571960.db2.gz JCQJCUDBUHSTJK-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001374058681 920581105 /nfs/dbraw/zinc/58/11/05/920581105.db2.gz YREXGCGAUCHPJL-SNVBAGLBSA-N 1 1 324.389 -2.516 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374131147 920584989 /nfs/dbraw/zinc/58/49/89/920584989.db2.gz NQOOZJIMEQADCQ-GFCCVEGCSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374131147 920585007 /nfs/dbraw/zinc/58/50/07/920585007.db2.gz NQOOZJIMEQADCQ-GFCCVEGCSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC001374132110 920587208 /nfs/dbraw/zinc/58/72/08/920587208.db2.gz ZZVCZSAVDJKACG-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374148708 920588305 /nfs/dbraw/zinc/58/83/05/920588305.db2.gz IXEKKOBWXXJBOV-ZDUSSCGKSA-N 1 1 324.381 -1.167 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374148708 920588320 /nfs/dbraw/zinc/58/83/20/920588320.db2.gz IXEKKOBWXXJBOV-ZDUSSCGKSA-N 1 1 324.381 -1.167 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001374205060 920592725 /nfs/dbraw/zinc/59/27/25/920592725.db2.gz VSFWKXBFTRRSEJ-BDAKNGLRSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CS(C)(=O)=O)c1nnnn1C ZINC001374205091 920593000 /nfs/dbraw/zinc/59/30/00/920593000.db2.gz VSFWKXBFTRRSEJ-DTWKUNHWSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374272586 920598248 /nfs/dbraw/zinc/59/82/48/920598248.db2.gz XRTQZZJGHMAAEU-KOLCDFICSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374272588 920598657 /nfs/dbraw/zinc/59/86/57/920598657.db2.gz XRTQZZJGHMAAEU-ONGXEEELSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374334187 920601689 /nfs/dbraw/zinc/60/16/89/920601689.db2.gz YSQSCRLOGONRFX-ZJUUUORDSA-N 1 1 324.389 -1.310 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374464502 920605454 /nfs/dbraw/zinc/60/54/54/920605454.db2.gz MLKALOGOEVHOCR-JTQLQIEISA-N 1 1 310.358 -1.143 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001374464502 920605463 /nfs/dbraw/zinc/60/54/63/920605463.db2.gz MLKALOGOEVHOCR-JTQLQIEISA-N 1 1 310.358 -1.143 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374462656 920605706 /nfs/dbraw/zinc/60/57/06/920605706.db2.gz MAWRMZYFPSIJDW-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374462656 920605712 /nfs/dbraw/zinc/60/57/12/920605712.db2.gz MAWRMZYFPSIJDW-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001374486336 920607017 /nfs/dbraw/zinc/60/70/17/920607017.db2.gz ILZWMVKZAMPLHV-UHFFFAOYSA-N 1 1 309.374 -1.156 20 0 DAADMO CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374479683 920607480 /nfs/dbraw/zinc/60/74/80/920607480.db2.gz OTSPOGUBULGMSK-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374479683 920607494 /nfs/dbraw/zinc/60/74/94/920607494.db2.gz OTSPOGUBULGMSK-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC ZINC001374487950 920607581 /nfs/dbraw/zinc/60/75/81/920607581.db2.gz UHULUIVPPDKQPK-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC ZINC001374487950 920607593 /nfs/dbraw/zinc/60/75/93/920607593.db2.gz UHULUIVPPDKQPK-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)CC1CC1)C(=O)Cn1ncnn1 ZINC001374493458 920607819 /nfs/dbraw/zinc/60/78/19/920607819.db2.gz NWROHDBSWZUKMP-UHFFFAOYSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)CC1CC1)C(=O)Cn1ncnn1 ZINC001374493458 920607834 /nfs/dbraw/zinc/60/78/34/920607834.db2.gz NWROHDBSWZUKMP-UHFFFAOYSA-N 1 1 323.401 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374487418 920608360 /nfs/dbraw/zinc/60/83/60/920608360.db2.gz PIHGWIVAYKQIAJ-ZJUUUORDSA-N 1 1 300.359 -1.038 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374487418 920608371 /nfs/dbraw/zinc/60/83/71/920608371.db2.gz PIHGWIVAYKQIAJ-ZJUUUORDSA-N 1 1 300.359 -1.038 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374487417 920608526 /nfs/dbraw/zinc/60/85/26/920608526.db2.gz PIHGWIVAYKQIAJ-VHSXEESVSA-N 1 1 300.359 -1.038 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374487417 920608533 /nfs/dbraw/zinc/60/85/33/920608533.db2.gz PIHGWIVAYKQIAJ-VHSXEESVSA-N 1 1 300.359 -1.038 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001374485315 920608652 /nfs/dbraw/zinc/60/86/52/920608652.db2.gz SORLBDQRLHXHKH-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001374501894 920608986 /nfs/dbraw/zinc/60/89/86/920608986.db2.gz JDPONLQHTOWYOW-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001374501894 920608996 /nfs/dbraw/zinc/60/89/96/920608996.db2.gz JDPONLQHTOWYOW-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COc1nc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001374521713 920612221 /nfs/dbraw/zinc/61/22/21/920612221.db2.gz LFYFTHNAUZEFMF-UHFFFAOYSA-N 1 1 313.314 -1.118 20 0 DAADMO COc1nc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001374521713 920612232 /nfs/dbraw/zinc/61/22/32/920612232.db2.gz LFYFTHNAUZEFMF-UHFFFAOYSA-N 1 1 313.314 -1.118 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374539847 920612497 /nfs/dbraw/zinc/61/24/97/920612497.db2.gz UQEHQBOLSGPEGZ-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374539847 920612507 /nfs/dbraw/zinc/61/25/07/920612507.db2.gz UQEHQBOLSGPEGZ-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)CN1CCNC(=O)C1 ZINC001374525113 920613492 /nfs/dbraw/zinc/61/34/92/920613492.db2.gz RQXGFCGYTVBOJR-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCOC1)C(=O)CN1CCNC(=O)C1 ZINC001374525110 920613599 /nfs/dbraw/zinc/61/35/99/920613599.db2.gz RQXGFCGYTVBOJR-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]n3)CC[C@@H]21 ZINC001374561671 920616126 /nfs/dbraw/zinc/61/61/26/920616126.db2.gz LUGMCZZAFSWHEZ-SCZZXKLOSA-N 1 1 321.341 -1.464 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)n1 ZINC001374569680 920616469 /nfs/dbraw/zinc/61/64/69/920616469.db2.gz AACWFDKHDCZHDK-LLVKDONJSA-N 1 1 312.374 -1.691 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001374555665 920617122 /nfs/dbraw/zinc/61/71/22/920617122.db2.gz XXXGJRSQXWSTGC-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001374555665 920617131 /nfs/dbraw/zinc/61/71/31/920617131.db2.gz XXXGJRSQXWSTGC-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001374583233 920621338 /nfs/dbraw/zinc/62/13/38/920621338.db2.gz JPXYEECAQXPWMG-QMMMGPOBSA-N 1 1 300.319 -2.262 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001374579432 920621877 /nfs/dbraw/zinc/62/18/77/920621877.db2.gz BLZYLLRDXJYLNS-LBPRGKRZSA-N 1 1 321.381 -1.026 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)nn1 ZINC001374585821 920624615 /nfs/dbraw/zinc/62/46/15/920624615.db2.gz URBLHHBEOQHOJJ-VIFPVBQESA-N 1 1 305.360 -2.574 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)nn1C ZINC001374586795 920624760 /nfs/dbraw/zinc/62/47/60/920624760.db2.gz ZJRFZFLLYYTCDR-NSHDSACASA-N 1 1 318.399 -1.660 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001374586017 920626111 /nfs/dbraw/zinc/62/61/11/920626111.db2.gz LAIVPZDARVSCFO-KWQFWETISA-N 1 1 324.385 -1.233 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cnn(C)c2)[nH]1 ZINC001374590290 920627465 /nfs/dbraw/zinc/62/74/65/920627465.db2.gz KTLWGJHWJXJHCM-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001374590610 920627503 /nfs/dbraw/zinc/62/75/03/920627503.db2.gz WLYRSSSZXHIMDV-GFCCVEGCSA-N 1 1 308.342 -1.079 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001374591276 920629592 /nfs/dbraw/zinc/62/95/92/920629592.db2.gz PVKNRGCBWNJXKR-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1)n1cncn1 ZINC001374593394 920632449 /nfs/dbraw/zinc/63/24/49/920632449.db2.gz HAFWCFGRCMVCNG-GHMZBOCLSA-N 1 1 305.342 -1.104 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)nn1 ZINC001374595769 920634346 /nfs/dbraw/zinc/63/43/46/920634346.db2.gz XKYYBISJUYSNKV-ONGXEEELSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001374597930 920635844 /nfs/dbraw/zinc/63/58/44/920635844.db2.gz ZHCWZHITFVGJPS-FZMZJTMJSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)cn1 ZINC001374596836 920635905 /nfs/dbraw/zinc/63/59/05/920635905.db2.gz SLHKYEIKPNOOBL-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374599551 920636185 /nfs/dbraw/zinc/63/61/85/920636185.db2.gz JRTJRISQLZYHPY-NXEZZACHSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1)c1nncn1C ZINC001374599926 920638684 /nfs/dbraw/zinc/63/86/84/920638684.db2.gz FMCXUGBHGFHQPV-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001374600528 920638737 /nfs/dbraw/zinc/63/87/37/920638737.db2.gz PODUBHBWGGTFNL-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001374601402 920639134 /nfs/dbraw/zinc/63/91/34/920639134.db2.gz QZXDBWGQNQNLTE-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1)c1nncn1C ZINC001374602506 920639582 /nfs/dbraw/zinc/63/95/82/920639582.db2.gz SNUPMGKHGYGMQG-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)[nH]1 ZINC001374604598 920641157 /nfs/dbraw/zinc/64/11/57/920641157.db2.gz YBHVLLUMDXLLJC-VIFPVBQESA-N 1 1 308.346 -1.949 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001374604796 920641839 /nfs/dbraw/zinc/64/18/39/920641839.db2.gz SMDLJONWOYNBLO-SFYZADRCSA-N 1 1 315.355 -1.478 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374609680 920644196 /nfs/dbraw/zinc/64/41/96/920644196.db2.gz VBGBBCWDQMPAQX-SNVBAGLBSA-N 1 1 318.399 -2.043 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001374613276 920645328 /nfs/dbraw/zinc/64/53/28/920645328.db2.gz CZEULHABTNZQQL-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001374611347 920645759 /nfs/dbraw/zinc/64/57/59/920645759.db2.gz JVEQKLYMVZGUJC-NEPJUHHUSA-N 1 1 321.381 -1.088 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001374613939 920648458 /nfs/dbraw/zinc/64/84/58/920648458.db2.gz DSRXADZMAHAMIY-QJPTWQEYSA-N 1 1 319.369 -1.091 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cc2n(n1)CCO2 ZINC001374614836 920648774 /nfs/dbraw/zinc/64/87/74/920648774.db2.gz IJSZOMPPHXNBSF-VIFPVBQESA-N 1 1 308.298 -1.461 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cn1C ZINC001374614429 920649222 /nfs/dbraw/zinc/64/92/22/920649222.db2.gz FAGXOMYLHOQHPZ-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc[nH]c2=O)n1 ZINC001374616445 920650365 /nfs/dbraw/zinc/65/03/65/920650365.db2.gz SJNYMHPHDMTOJJ-SNVBAGLBSA-N 1 1 321.341 -1.326 20 0 DAADMO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CCNC(=O)C1 ZINC001374617474 920651077 /nfs/dbraw/zinc/65/10/77/920651077.db2.gz WJOHMQDNGADKHC-NHYWBVRUSA-N 1 1 321.381 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001374620427 920653465 /nfs/dbraw/zinc/65/34/65/920653465.db2.gz FUULQZWYTKRFKK-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001374620427 920653472 /nfs/dbraw/zinc/65/34/72/920653472.db2.gz FUULQZWYTKRFKK-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001374621069 920653793 /nfs/dbraw/zinc/65/37/93/920653793.db2.gz AHKZRKHLUITSDY-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001374619032 920655116 /nfs/dbraw/zinc/65/51/16/920655116.db2.gz PWGMJRIDAARBAY-QMMMGPOBSA-N 1 1 322.412 -1.461 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)nn1 ZINC001374623789 920656508 /nfs/dbraw/zinc/65/65/08/920656508.db2.gz FBLBAQSWMDEPOR-PWSUYJOCSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)nn1 ZINC001374623782 920656723 /nfs/dbraw/zinc/65/67/23/920656723.db2.gz FBLBAQSWMDEPOR-CMPLNLGQSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cccnc1 ZINC001374626263 920657560 /nfs/dbraw/zinc/65/75/60/920657560.db2.gz FEHVCJUQLZWKFM-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)ccc2=O)n1 ZINC001374627739 920660005 /nfs/dbraw/zinc/66/00/05/920660005.db2.gz UAMXVWKDFGZHDV-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2csc(=O)[nH]2)nn1 ZINC001374639786 920665354 /nfs/dbraw/zinc/66/53/54/920665354.db2.gz VCOXGYXZQBOLBD-MRVPVSSYSA-N 1 1 312.355 -1.142 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)c2[nH]nnc2C)n1 ZINC001374638637 920665966 /nfs/dbraw/zinc/66/59/66/920665966.db2.gz QHLCWPDJDSBWAG-SNVBAGLBSA-N 1 1 322.373 -1.087 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001374639030 920666297 /nfs/dbraw/zinc/66/62/97/920666297.db2.gz RGVATNWVWQHZCK-AVGNSLFASA-N 1 1 303.403 -1.455 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374637486 920666399 /nfs/dbraw/zinc/66/63/99/920666399.db2.gz MQWMHOZMARGBQX-ZJUUUORDSA-N 1 1 312.374 -1.439 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)nc1 ZINC001374641298 920669550 /nfs/dbraw/zinc/66/95/50/920669550.db2.gz ZNHJNKMBCGXLDI-JTQLQIEISA-N 1 1 318.337 -1.251 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374647789 920671598 /nfs/dbraw/zinc/67/15/98/920671598.db2.gz CHMRWTWCUWGVOO-NWDGAFQWSA-N 1 1 312.374 -1.704 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001374654524 920674139 /nfs/dbraw/zinc/67/41/39/920674139.db2.gz VSFDTMNFUSTBBI-QWRGUYRKSA-N 1 1 312.374 -1.704 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001374655791 920674338 /nfs/dbraw/zinc/67/43/38/920674338.db2.gz KLVDVAHZKNPJOU-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001374654526 920675082 /nfs/dbraw/zinc/67/50/82/920675082.db2.gz VSFDTMNFUSTBBI-WDEREUQCSA-N 1 1 312.374 -1.704 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001374655795 920676064 /nfs/dbraw/zinc/67/60/64/920676064.db2.gz KLVDVAHZKNPJOU-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1cnoc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374659621 920678456 /nfs/dbraw/zinc/67/84/56/920678456.db2.gz FVKUYIBWDNSYJC-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001374662382 920680364 /nfs/dbraw/zinc/68/03/64/920680364.db2.gz ZXQQSZGADJDWLC-VIFPVBQESA-N 1 1 309.330 -1.048 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374663284 920680410 /nfs/dbraw/zinc/68/04/10/920680410.db2.gz ZILIKZGGKRFLNR-JTQLQIEISA-N 1 1 320.357 -1.460 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1cccc1 ZINC001374663254 920680723 /nfs/dbraw/zinc/68/07/23/920680723.db2.gz YYOWXAIOTQGMLC-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001374663600 920680941 /nfs/dbraw/zinc/68/09/41/920680941.db2.gz UCGOTWVPTOPMHQ-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001374662363 920681618 /nfs/dbraw/zinc/68/16/18/920681618.db2.gz ZXQQSZGADJDWLC-SECBINFHSA-N 1 1 309.330 -1.048 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374666848 920681758 /nfs/dbraw/zinc/68/17/58/920681758.db2.gz PKPPLGKEGQSITC-JTQLQIEISA-N 1 1 324.341 -1.170 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nc[nH]n2)n1 ZINC001374666857 920682270 /nfs/dbraw/zinc/68/22/70/920682270.db2.gz PMAATZCNWIECPZ-SNVBAGLBSA-N 1 1 308.346 -1.775 20 0 DAADMO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001374668064 920684226 /nfs/dbraw/zinc/68/42/26/920684226.db2.gz YXDQDZPLCSHGLG-MWLCHTKSSA-N 1 1 322.369 -1.129 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001374669920 920684788 /nfs/dbraw/zinc/68/47/88/920684788.db2.gz KGXVNYBXMMLLQH-QWRGUYRKSA-N 1 1 307.354 -1.370 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374668486 920685581 /nfs/dbraw/zinc/68/55/81/920685581.db2.gz GJNJTZMDJZXXEF-GFCCVEGCSA-N 1 1 308.386 -1.522 20 0 DAADMO COc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001374677887 920686757 /nfs/dbraw/zinc/68/67/57/920686757.db2.gz LJALVYAJGCLHJY-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1ccnc1)c1nnnn1C ZINC001374674655 920687072 /nfs/dbraw/zinc/68/70/72/920687072.db2.gz GCWDOROGUDPKCI-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C ZINC001374674794 920687592 /nfs/dbraw/zinc/68/75/92/920687592.db2.gz YURDRRZCPBQGTN-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cncn2C)n1 ZINC001374678905 920689901 /nfs/dbraw/zinc/68/99/01/920689901.db2.gz NZLBHMYHRMFMEU-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2cncn2C)n1 ZINC001374678907 920690212 /nfs/dbraw/zinc/69/02/12/920690212.db2.gz NZLBHMYHRMFMEU-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001374679135 920690415 /nfs/dbraw/zinc/69/04/15/920690415.db2.gz PZHTXXRUEXIAPA-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001374681440 920690842 /nfs/dbraw/zinc/69/08/42/920690842.db2.gz DROSEFZNBCTOTP-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001374679630 920690878 /nfs/dbraw/zinc/69/08/78/920690878.db2.gz RCFIAQAYLNTFAW-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1 ZINC001374684621 920693052 /nfs/dbraw/zinc/69/30/52/920693052.db2.gz MYTLUHQSMOHRIV-CYBMUJFWSA-N 1 1 310.402 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1 ZINC001374684616 920693109 /nfs/dbraw/zinc/69/31/09/920693109.db2.gz MVNRYEZHCXXLGJ-SNVBAGLBSA-N 1 1 320.371 -1.901 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001374713449 920699013 /nfs/dbraw/zinc/69/90/13/920699013.db2.gz SKGQQRGWLNWMCU-IUCAKERBSA-N 1 1 311.346 -1.182 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001374713443 920699763 /nfs/dbraw/zinc/69/97/63/920699763.db2.gz SKGQQRGWLNWMCU-BDAKNGLRSA-N 1 1 311.346 -1.182 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001374736435 920701109 /nfs/dbraw/zinc/70/11/09/920701109.db2.gz DEEYMFBKKBTDSG-SNVBAGLBSA-N 1 1 324.385 -1.071 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001374774624 920706875 /nfs/dbraw/zinc/70/68/75/920706875.db2.gz JVSPSBJBHRSMAO-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCN(C)C1=O ZINC001374776679 920707509 /nfs/dbraw/zinc/70/75/09/920707509.db2.gz ULIBNZFDMRFFIN-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001374789066 920710316 /nfs/dbraw/zinc/71/03/16/920710316.db2.gz VJMHBSGMQWRDIF-SECBINFHSA-N 1 1 323.357 -1.042 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCC(=O)NC1=O ZINC001374829229 920716819 /nfs/dbraw/zinc/71/68/19/920716819.db2.gz XMRPAIYDQOTTIC-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)cn1 ZINC001374839923 920717099 /nfs/dbraw/zinc/71/70/99/920717099.db2.gz BZEOGCZFODECOT-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001374831110 920717806 /nfs/dbraw/zinc/71/78/06/920717806.db2.gz VAKKEBAOPYIIGR-ZJUUUORDSA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001374845750 920719569 /nfs/dbraw/zinc/71/95/69/920719569.db2.gz DUJQCXWQHFHZSS-SNVBAGLBSA-N 1 1 315.399 -1.071 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nncn1C ZINC001374847855 920720333 /nfs/dbraw/zinc/72/03/33/920720333.db2.gz SNWVCBBNHFRUNE-RKDXNWHRSA-N 1 1 318.403 -1.480 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001374886269 920723088 /nfs/dbraw/zinc/72/30/88/920723088.db2.gz CPABXBCOECNCOM-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cnn(C)c1N)c1nnnn1C ZINC001374882551 920723648 /nfs/dbraw/zinc/72/36/48/920723648.db2.gz DOOGFABOSAXLDN-JGVFFNPUSA-N 1 1 307.362 -1.005 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001374871916 920723906 /nfs/dbraw/zinc/72/39/06/920723906.db2.gz DEEYMFBKKBTDSG-JTQLQIEISA-N 1 1 324.385 -1.071 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001374907053 920725995 /nfs/dbraw/zinc/72/59/95/920725995.db2.gz DLKGYVBIMAXUFH-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)c1nnn(C)n1 ZINC001374921381 920729787 /nfs/dbraw/zinc/72/97/87/920729787.db2.gz HKTAQYLMILNZBN-QMMMGPOBSA-N 1 1 311.325 -1.321 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374925338 920729838 /nfs/dbraw/zinc/72/98/38/920729838.db2.gz GSDKVTWLLXGTKZ-CABZTGNLSA-N 1 1 321.385 -1.036 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cscn1 ZINC001374918880 920730460 /nfs/dbraw/zinc/73/04/60/920730460.db2.gz AVUJSERYFNNGAY-QMMMGPOBSA-N 1 1 321.428 -1.209 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001375007418 920735790 /nfs/dbraw/zinc/73/57/90/920735790.db2.gz GHFPECXLRCHMMR-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001375007418 920735796 /nfs/dbraw/zinc/73/57/96/920735796.db2.gz GHFPECXLRCHMMR-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)Cn1ncnn1 ZINC001375037315 920738421 /nfs/dbraw/zinc/73/84/21/920738421.db2.gz LAFUIHUKJXHCJA-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001375035164 920739006 /nfs/dbraw/zinc/73/90/06/920739006.db2.gz DZEVQIBOQVNZRM-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001375035164 920739018 /nfs/dbraw/zinc/73/90/18/920739018.db2.gz DZEVQIBOQVNZRM-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038964 920739055 /nfs/dbraw/zinc/73/90/55/920739055.db2.gz YQRXUXRRNBDNJB-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038964 920739067 /nfs/dbraw/zinc/73/90/67/920739067.db2.gz YQRXUXRRNBDNJB-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001375033277 920740459 /nfs/dbraw/zinc/74/04/59/920740459.db2.gz WEBURNFCTOVODA-VHSXEESVSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001375033277 920740472 /nfs/dbraw/zinc/74/04/72/920740472.db2.gz WEBURNFCTOVODA-VHSXEESVSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064393 920741225 /nfs/dbraw/zinc/74/12/25/920741225.db2.gz ZEBOIDHPIGWNDH-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064393 920741237 /nfs/dbraw/zinc/74/12/37/920741237.db2.gz ZEBOIDHPIGWNDH-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001375066061 920741380 /nfs/dbraw/zinc/74/13/80/920741380.db2.gz UVSGRDDWBFKZRT-RKDXNWHRSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001375066061 920741395 /nfs/dbraw/zinc/74/13/95/920741395.db2.gz UVSGRDDWBFKZRT-RKDXNWHRSA-N 1 1 315.374 -2.451 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001375074323 920741913 /nfs/dbraw/zinc/74/19/13/920741913.db2.gz XLSCKTRYWQOENG-GHMZBOCLSA-N 1 1 315.374 -1.974 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001375043717 920742954 /nfs/dbraw/zinc/74/29/54/920742954.db2.gz GXSLOFNIUJVLMQ-VHSXEESVSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001375043717 920742966 /nfs/dbraw/zinc/74/29/66/920742966.db2.gz GXSLOFNIUJVLMQ-VHSXEESVSA-N 1 1 301.391 -1.171 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001375058057 920742993 /nfs/dbraw/zinc/74/29/93/920742993.db2.gz GXWOTEIMINCPPD-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001375058057 920742999 /nfs/dbraw/zinc/74/29/99/920742999.db2.gz GXWOTEIMINCPPD-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375045855 920743024 /nfs/dbraw/zinc/74/30/24/920743024.db2.gz ILIWUWGSRCONID-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375045855 920743032 /nfs/dbraw/zinc/74/30/32/920743032.db2.gz ILIWUWGSRCONID-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001375055844 920743320 /nfs/dbraw/zinc/74/33/20/920743320.db2.gz PCNZBRPNHSAESB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001375055844 920743333 /nfs/dbraw/zinc/74/33/33/920743333.db2.gz PCNZBRPNHSAESB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042392 920743971 /nfs/dbraw/zinc/74/39/71/920743971.db2.gz DMORJPWXANOZFF-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042392 920743982 /nfs/dbraw/zinc/74/39/82/920743982.db2.gz DMORJPWXANOZFF-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375073905 920744148 /nfs/dbraw/zinc/74/41/48/920744148.db2.gz WHANZIICDVWILN-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375073905 920744160 /nfs/dbraw/zinc/74/41/60/920744160.db2.gz WHANZIICDVWILN-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375115160 920745408 /nfs/dbraw/zinc/74/54/08/920745408.db2.gz WQCBOFFAWDYKGT-BBBLOLIVSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)CC(=O)NC(N)=O ZINC001375112319 920745944 /nfs/dbraw/zinc/74/59/44/920745944.db2.gz NHFRBUHPLHFSGS-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375101793 920746697 /nfs/dbraw/zinc/74/66/97/920746697.db2.gz PXQFULONANWDMA-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375101793 920746709 /nfs/dbraw/zinc/74/67/09/920746709.db2.gz PXQFULONANWDMA-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375099453 920747208 /nfs/dbraw/zinc/74/72/08/920747208.db2.gz LPYSWJRSPYGCRS-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC1CC1 ZINC001375152416 920748764 /nfs/dbraw/zinc/74/87/64/920748764.db2.gz DVBCIIZVNSTSQC-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC1CC1 ZINC001375152416 920748776 /nfs/dbraw/zinc/74/87/76/920748776.db2.gz DVBCIIZVNSTSQC-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001375154026 920749545 /nfs/dbraw/zinc/74/95/45/920749545.db2.gz POCPVPCOMAQBKT-RKDXNWHRSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001375154026 920749559 /nfs/dbraw/zinc/74/95/59/920749559.db2.gz POCPVPCOMAQBKT-RKDXNWHRSA-N 1 1 312.374 -1.799 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1ncc[nH]1 ZINC001375136443 920749729 /nfs/dbraw/zinc/74/97/29/920749729.db2.gz UDWNNOQCZNCZRW-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1ncc[nH]1 ZINC001375136443 920749745 /nfs/dbraw/zinc/74/97/45/920749745.db2.gz UDWNNOQCZNCZRW-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147271 920750391 /nfs/dbraw/zinc/75/03/91/920750391.db2.gz CSDVNUKTAUTOFW-RKDXNWHRSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147271 920750399 /nfs/dbraw/zinc/75/03/99/920750399.db2.gz CSDVNUKTAUTOFW-RKDXNWHRSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@@H](CN(C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375151893 920751555 /nfs/dbraw/zinc/75/15/55/920751555.db2.gz ATMGTQSRBUPYHX-NWDGAFQWSA-N 1 1 320.459 -1.076 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001375225081 920755951 /nfs/dbraw/zinc/75/59/51/920755951.db2.gz YUXSBMTTYRTCRW-RYUDHWBXSA-N 1 1 323.401 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001375230893 920756899 /nfs/dbraw/zinc/75/68/99/920756899.db2.gz UAPMJWUWPJYPIG-LLVKDONJSA-N 1 1 309.374 -1.272 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001375306753 920762645 /nfs/dbraw/zinc/76/26/45/920762645.db2.gz CMNUBZLBCZOHBK-ZDUSSCGKSA-N 1 1 308.386 -1.199 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001375306753 920762659 /nfs/dbraw/zinc/76/26/59/920762659.db2.gz CMNUBZLBCZOHBK-ZDUSSCGKSA-N 1 1 308.386 -1.199 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001375333441 920766503 /nfs/dbraw/zinc/76/65/03/920766503.db2.gz GUOFIJBRKZBQRK-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001375333441 920766512 /nfs/dbraw/zinc/76/65/12/920766512.db2.gz GUOFIJBRKZBQRK-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001375333435 920767016 /nfs/dbraw/zinc/76/70/16/920767016.db2.gz GUOFIJBRKZBQRK-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001375333435 920767030 /nfs/dbraw/zinc/76/70/30/920767030.db2.gz GUOFIJBRKZBQRK-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 ZINC001375426333 920772585 /nfs/dbraw/zinc/77/25/85/920772585.db2.gz BBTOCEIDLXHZET-BNOWGMLFSA-N 1 1 321.377 -1.042 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378479 920773879 /nfs/dbraw/zinc/77/38/79/920773879.db2.gz GJKXCYCOWWZMCA-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378479 920773884 /nfs/dbraw/zinc/77/38/84/920773884.db2.gz GJKXCYCOWWZMCA-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@]34C[C@H]3COC4)CC2)nc1=O ZINC001375420429 920774228 /nfs/dbraw/zinc/77/42/28/920774228.db2.gz KEJYBAWOLDLDJU-XPTSAGLGSA-N 1 1 307.354 -1.117 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378113 920774258 /nfs/dbraw/zinc/77/42/58/920774258.db2.gz SKXWNHORSVILJT-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378113 920774278 /nfs/dbraw/zinc/77/42/78/920774278.db2.gz SKXWNHORSVILJT-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378481 920774813 /nfs/dbraw/zinc/77/48/13/920774813.db2.gz GJKXCYCOWWZMCA-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378481 920774823 /nfs/dbraw/zinc/77/48/23/920774823.db2.gz GJKXCYCOWWZMCA-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1)Nc1ccon1 ZINC001375412333 920774970 /nfs/dbraw/zinc/77/49/70/920774970.db2.gz GDOMXDPMXNCQBK-QMMMGPOBSA-N 1 1 323.309 -1.040 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001375457772 920776494 /nfs/dbraw/zinc/77/64/94/920776494.db2.gz BZWXIONGMIWRER-NEPJUHHUSA-N 1 1 314.386 -1.454 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C(C)(C)NS(C)(=O)=O ZINC001375462698 920777393 /nfs/dbraw/zinc/77/73/93/920777393.db2.gz QCKPSOAVPZRSEX-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1[nH]c(CNC2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)nc1=O ZINC001375450577 920778043 /nfs/dbraw/zinc/77/80/43/920778043.db2.gz DIRBAVQNJJRRHI-SNVBAGLBSA-N 1 1 308.386 -1.059 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001375480037 920780289 /nfs/dbraw/zinc/78/02/89/920780289.db2.gz HPOSKGHEHPIEAJ-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001375623583 920788570 /nfs/dbraw/zinc/78/85/70/920788570.db2.gz JDWUQJHWIWJZQS-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001375623583 920788578 /nfs/dbraw/zinc/78/85/78/920788578.db2.gz JDWUQJHWIWJZQS-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001375610424 920788755 /nfs/dbraw/zinc/78/87/55/920788755.db2.gz NLQUPIJSAHTEPL-YFKTTZPYSA-N 1 1 323.397 -1.431 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCF)C1 ZINC001375626894 920788901 /nfs/dbraw/zinc/78/89/01/920788901.db2.gz CGZNTDHWBIAXJV-QWRGUYRKSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]([N@@H+](CCO)CCF)C1 ZINC001375626894 920788917 /nfs/dbraw/zinc/78/89/17/920788917.db2.gz CGZNTDHWBIAXJV-QWRGUYRKSA-N 1 1 302.350 -1.077 20 0 DAADMO NC(=O)CN(CCO)[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001375624371 920789211 /nfs/dbraw/zinc/78/92/11/920789211.db2.gz FTJLHOVEGPQQCP-LLVKDONJSA-N 1 1 324.385 -1.492 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001375610418 920789389 /nfs/dbraw/zinc/78/93/89/920789389.db2.gz NLQUPIJSAHTEPL-QCNOEVLYSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1 ZINC001375606616 920791000 /nfs/dbraw/zinc/79/10/00/920791000.db2.gz RHNIJCOACINCOL-VIFPVBQESA-N 1 1 309.326 -1.448 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001375631228 920793183 /nfs/dbraw/zinc/79/31/83/920793183.db2.gz XAUVMOSDAIITKL-AGIUHOORSA-N 1 1 324.385 -1.539 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H]1C ZINC001375663028 920793535 /nfs/dbraw/zinc/79/35/35/920793535.db2.gz IMGVWBKIEJMNKE-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H]1C ZINC001375663028 920793551 /nfs/dbraw/zinc/79/35/51/920793551.db2.gz IMGVWBKIEJMNKE-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001375657775 920794012 /nfs/dbraw/zinc/79/40/12/920794012.db2.gz CTUUEHZTJCEBLV-CMPLNLGQSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001375657775 920794026 /nfs/dbraw/zinc/79/40/26/920794026.db2.gz CTUUEHZTJCEBLV-CMPLNLGQSA-N 1 1 324.385 -1.372 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001375632767 920794423 /nfs/dbraw/zinc/79/44/23/920794423.db2.gz WNMFOYXGUMXKQO-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001375632767 920794432 /nfs/dbraw/zinc/79/44/32/920794432.db2.gz WNMFOYXGUMXKQO-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001375669292 920795659 /nfs/dbraw/zinc/79/56/59/920795659.db2.gz JLESIVPAFWLOPQ-WOPDTQHZSA-N 1 1 324.381 -1.020 20 0 DAADMO Cn1ncc(C[NH2+]C2CC(CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001375711212 920798531 /nfs/dbraw/zinc/79/85/31/920798531.db2.gz FHRJPMMBMMVQPX-UHFFFAOYSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1ncnc1C[NH2+]C1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001375711495 920800117 /nfs/dbraw/zinc/80/01/17/920800117.db2.gz MAEBRQGYQPZDCA-UHFFFAOYSA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)NC)C1)OC ZINC001375697087 920800403 /nfs/dbraw/zinc/80/04/03/920800403.db2.gz ZLCSFWPMJDDKKT-NSHDSACASA-N 1 1 322.431 -1.392 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001375757554 920804087 /nfs/dbraw/zinc/80/40/87/920804087.db2.gz TXOXUZAPKGDJKT-NXEZZACHSA-N 1 1 324.389 -1.219 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001375749959 920804204 /nfs/dbraw/zinc/80/42/04/920804204.db2.gz SKICUOXLCHPPIP-ZJUUUORDSA-N 1 1 324.389 -1.262 20 0 DAADMO Cn1ncc(C(=O)NC2(C)CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001375777538 920809731 /nfs/dbraw/zinc/80/97/31/920809731.db2.gz GTQPPZRYXRKRFH-UHFFFAOYSA-N 1 1 323.357 -1.406 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001375819626 920809835 /nfs/dbraw/zinc/80/98/35/920809835.db2.gz MLDSODGRGWUXSX-GXFFZTMASA-N 1 1 309.374 -1.085 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375826473 920810059 /nfs/dbraw/zinc/81/00/59/920810059.db2.gz FMWXKZBNBJMNJY-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950311 920812023 /nfs/dbraw/zinc/81/20/23/920812023.db2.gz LAZFTOZALZRXRB-TVQRCGJNSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950311 920812032 /nfs/dbraw/zinc/81/20/32/920812032.db2.gz LAZFTOZALZRXRB-TVQRCGJNSA-N 1 1 309.374 -1.084 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001375990750 920815912 /nfs/dbraw/zinc/81/59/12/920815912.db2.gz UZFNLPJCKVQLDG-DGCLKSJQSA-N 1 1 320.411 -1.380 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001375990750 920815920 /nfs/dbraw/zinc/81/59/20/920815920.db2.gz UZFNLPJCKVQLDG-DGCLKSJQSA-N 1 1 320.411 -1.380 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001375993805 920816260 /nfs/dbraw/zinc/81/62/60/920816260.db2.gz FIZFJHJOKMHJQP-YGRLFVJLSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001375993805 920816276 /nfs/dbraw/zinc/81/62/76/920816276.db2.gz FIZFJHJOKMHJQP-YGRLFVJLSA-N 1 1 324.385 -1.607 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375991078 920816777 /nfs/dbraw/zinc/81/67/77/920816777.db2.gz GSKAEVYOTDZSIZ-YPMHNXCESA-N 1 1 303.359 -2.317 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cnn1C ZINC001375994415 920817122 /nfs/dbraw/zinc/81/71/22/920817122.db2.gz MWPSMUZEQJLHHO-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cnn1C ZINC001375994415 920817136 /nfs/dbraw/zinc/81/71/36/920817136.db2.gz MWPSMUZEQJLHHO-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001375994602 920817210 /nfs/dbraw/zinc/81/72/10/920817210.db2.gz GQLDLRKNHIXTGU-JSGCOSHPSA-N 1 1 324.385 -1.205 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375999906 920818865 /nfs/dbraw/zinc/81/88/65/920818865.db2.gz XIEITIZFAJYUBY-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375999906 920818873 /nfs/dbraw/zinc/81/88/73/920818873.db2.gz XIEITIZFAJYUBY-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376000867 920819003 /nfs/dbraw/zinc/81/90/03/920819003.db2.gz CRFBLSGTJPZBDA-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376000867 920819009 /nfs/dbraw/zinc/81/90/09/920819009.db2.gz CRFBLSGTJPZBDA-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001376002114 920820050 /nfs/dbraw/zinc/82/00/50/920820050.db2.gz ASYZUVSQAVIKDK-GXFFZTMASA-N 1 1 319.358 -2.097 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001375997432 920821432 /nfs/dbraw/zinc/82/14/32/920821432.db2.gz OOQWAYJPZFGLQB-CQSZACIVSA-N 1 1 317.353 -1.179 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3COCCO3)C2)cn1 ZINC001376021629 920824158 /nfs/dbraw/zinc/82/41/58/920824158.db2.gz ZWIPLOPAUWIBHL-DZGCQCFKSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cn[nH]c1 ZINC001376009939 920825196 /nfs/dbraw/zinc/82/51/96/920825196.db2.gz NFYFSTAYOBWCEJ-RISCZKNCSA-N 1 1 307.354 -1.145 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001376030082 920825265 /nfs/dbraw/zinc/82/52/65/920825265.db2.gz DQOAKFJCOLGBKV-ZANVPECISA-N 1 1 315.374 -2.397 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376027705 920825310 /nfs/dbraw/zinc/82/53/10/920825310.db2.gz BCHQMHWOEBLMRE-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376027705 920825323 /nfs/dbraw/zinc/82/53/23/920825323.db2.gz BCHQMHWOEBLMRE-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3COCCO3)C2)cn1 ZINC001376021643 920826829 /nfs/dbraw/zinc/82/68/29/920826829.db2.gz ZWIPLOPAUWIBHL-UKRRQHHQSA-N 1 1 324.381 -1.112 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1)OC ZINC001376034712 920827625 /nfs/dbraw/zinc/82/76/25/920827625.db2.gz KVPZXFDMLSZTEL-SMDDNHRTSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376033678 920827697 /nfs/dbraw/zinc/82/76/97/920827697.db2.gz IMDADKYMDWVBBA-HIFRSBDPSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376033678 920827710 /nfs/dbraw/zinc/82/77/10/920827710.db2.gz IMDADKYMDWVBBA-HIFRSBDPSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376032666 920827874 /nfs/dbraw/zinc/82/78/74/920827874.db2.gz HSLWTNISJHPCBB-MFKMUULPSA-N 1 1 313.358 -2.011 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040161 920829788 /nfs/dbraw/zinc/82/97/88/920829788.db2.gz SPYFPKARVIMUER-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040161 920829803 /nfs/dbraw/zinc/82/98/03/920829803.db2.gz SPYFPKARVIMUER-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001376036835 920829849 /nfs/dbraw/zinc/82/98/49/920829849.db2.gz NORRQJWQNZRNIJ-LKFCYVNXSA-N 1 1 320.353 -1.100 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cc1C1CC1 ZINC001376035692 920830211 /nfs/dbraw/zinc/83/02/11/920830211.db2.gz LTNPZNZZZZFZSK-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cc1C1CC1 ZINC001376035692 920830228 /nfs/dbraw/zinc/83/02/28/920830228.db2.gz LTNPZNZZZZFZSK-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376039189 920830411 /nfs/dbraw/zinc/83/04/11/920830411.db2.gz PYKOWIWUJRCQRM-AWEZNQCLSA-N 1 1 324.385 -1.492 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376039189 920830425 /nfs/dbraw/zinc/83/04/25/920830425.db2.gz PYKOWIWUJRCQRM-AWEZNQCLSA-N 1 1 324.385 -1.492 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001376038760 920830448 /nfs/dbraw/zinc/83/04/48/920830448.db2.gz SCSZTIVNNFBBCH-AWEZNQCLSA-N 1 1 317.353 -1.179 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001376033902 920831077 /nfs/dbraw/zinc/83/10/77/920831077.db2.gz JPZILNXJNDWKIJ-RISCZKNCSA-N 1 1 323.353 -1.419 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC001376039169 920831108 /nfs/dbraw/zinc/83/11/08/920831108.db2.gz PUESGEAROOYZRU-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC001376039169 920831121 /nfs/dbraw/zinc/83/11/21/920831121.db2.gz PUESGEAROOYZRU-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnn2c1OCCC2 ZINC001376046093 920832338 /nfs/dbraw/zinc/83/23/38/920832338.db2.gz MGXTUCBZZCYYHV-AWEZNQCLSA-N 1 1 310.354 -1.176 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)OC)C1 ZINC001376040750 920833152 /nfs/dbraw/zinc/83/31/52/920833152.db2.gz USBBDRDXRYKBEZ-GWCFXTLKSA-N 1 1 302.375 -1.497 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376042866 920833225 /nfs/dbraw/zinc/83/32/25/920833225.db2.gz BDGKMHRBIYNGAH-DZGCQCFKSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040167 920833595 /nfs/dbraw/zinc/83/35/95/920833595.db2.gz SPYFPKARVIMUER-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040167 920833607 /nfs/dbraw/zinc/83/36/07/920833607.db2.gz SPYFPKARVIMUER-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376041750 920833714 /nfs/dbraw/zinc/83/37/14/920833714.db2.gz WSMPYHWEZKUIHJ-MFKMUULPSA-N 1 1 313.358 -2.011 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376044790 920833838 /nfs/dbraw/zinc/83/38/38/920833838.db2.gz DQZRRUURWQGSJT-IINYFYTJSA-N 1 1 312.370 -1.024 20 0 DAADMO COc1coc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cc1=O ZINC001376046080 920834121 /nfs/dbraw/zinc/83/41/21/920834121.db2.gz FTVJPKKGUOCSQJ-AWEZNQCLSA-N 1 1 312.322 -1.193 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccnc2ccnn21 ZINC001376042867 920835833 /nfs/dbraw/zinc/83/58/33/920835833.db2.gz MYLGIGZRCXIRPV-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040165 920835876 /nfs/dbraw/zinc/83/58/76/920835876.db2.gz SPYFPKARVIMUER-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001376040165 920835888 /nfs/dbraw/zinc/83/58/88/920835888.db2.gz SPYFPKARVIMUER-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001376040860 920836317 /nfs/dbraw/zinc/83/63/17/920836317.db2.gz VEKJOKAFBSBVAE-DOMZBBRYSA-N 1 1 312.414 -1.101 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376058693 920838921 /nfs/dbraw/zinc/83/89/21/920838921.db2.gz ZIRCFLYFLSGBIA-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001376061810 920840191 /nfs/dbraw/zinc/84/01/91/920840191.db2.gz ROYAUFGLKRFOCX-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)COC)C1 ZINC001376051479 920840647 /nfs/dbraw/zinc/84/06/47/920840647.db2.gz UGCDVQWGVLCILJ-CQSZACIVSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)COC)C1 ZINC001376051479 920840656 /nfs/dbraw/zinc/84/06/56/920840656.db2.gz UGCDVQWGVLCILJ-CQSZACIVSA-N 1 1 301.387 -1.042 20 0 DAADMO CC1(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001376047944 920840686 /nfs/dbraw/zinc/84/06/86/920840686.db2.gz HLGSGEKMVYEHTR-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO CC1(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001376047944 920840696 /nfs/dbraw/zinc/84/06/96/920840696.db2.gz HLGSGEKMVYEHTR-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376077853 920842994 /nfs/dbraw/zinc/84/29/94/920842994.db2.gz FZLVKFDKWSTLNF-BXUZGUMPSA-N 1 1 309.370 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376077853 920843011 /nfs/dbraw/zinc/84/30/11/920843011.db2.gz FZLVKFDKWSTLNF-BXUZGUMPSA-N 1 1 309.370 -1.382 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001376075474 920844037 /nfs/dbraw/zinc/84/40/37/920844037.db2.gz COOJQXHFIUILCD-TZMCWYRMSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075474 920844050 /nfs/dbraw/zinc/84/40/50/920844050.db2.gz COOJQXHFIUILCD-TZMCWYRMSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075474 920844062 /nfs/dbraw/zinc/84/40/62/920844062.db2.gz COOJQXHFIUILCD-TZMCWYRMSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376077907 920844233 /nfs/dbraw/zinc/84/42/33/920844233.db2.gz FZLVKFDKWSTLNF-RISCZKNCSA-N 1 1 309.370 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376077907 920844244 /nfs/dbraw/zinc/84/42/44/920844244.db2.gz FZLVKFDKWSTLNF-RISCZKNCSA-N 1 1 309.370 -1.382 20 0 DAADMO O=C(Cc1cnoc1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376077089 920845240 /nfs/dbraw/zinc/84/52/40/920845240.db2.gz HEYLRJNQDIDGFH-RISCZKNCSA-N 1 1 308.338 -1.341 20 0 DAADMO O=C(Cc1cnoc1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376077089 920845249 /nfs/dbraw/zinc/84/52/49/920845249.db2.gz HEYLRJNQDIDGFH-RISCZKNCSA-N 1 1 308.338 -1.341 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001376085769 920847343 /nfs/dbraw/zinc/84/73/43/920847343.db2.gz CMDNJBYYXQKRDF-IINYFYTJSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001376085776 920847702 /nfs/dbraw/zinc/84/77/02/920847702.db2.gz CMDNJBYYXQKRDF-YGRLFVJLSA-N 1 1 322.369 -1.821 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001376084710 920848087 /nfs/dbraw/zinc/84/80/87/920848087.db2.gz ALSSKTMFMUZPTB-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001376084710 920848099 /nfs/dbraw/zinc/84/80/99/920848099.db2.gz ALSSKTMFMUZPTB-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001376086812 920848651 /nfs/dbraw/zinc/84/86/51/920848651.db2.gz GTAPKGNNRWKHTM-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376096228 920850823 /nfs/dbraw/zinc/85/08/23/920850823.db2.gz SHPWUWZPKRSZDS-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001376091369 920851297 /nfs/dbraw/zinc/85/12/97/920851297.db2.gz LUSHWVYYHQNYET-RISCZKNCSA-N 1 1 300.403 -1.245 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001376089190 920851448 /nfs/dbraw/zinc/85/14/48/920851448.db2.gz DCICVUZXYITGBQ-PWSUYJOCSA-N 1 1 321.399 -2.387 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001376096680 920851738 /nfs/dbraw/zinc/85/17/38/920851738.db2.gz ZAWBQUBPAGIUBR-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001376090112 920854138 /nfs/dbraw/zinc/85/41/38/920854138.db2.gz FFSTVSDGBQQUAN-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001376094643 920854818 /nfs/dbraw/zinc/85/48/18/920854818.db2.gz LTQBBNLWHXDNNG-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376094643 920854833 /nfs/dbraw/zinc/85/48/33/920854833.db2.gz LTQBBNLWHXDNNG-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102240 920856098 /nfs/dbraw/zinc/85/60/98/920856098.db2.gz YLEHJBPYIDQEAR-TZMCWYRMSA-N 1 1 301.387 -1.748 20 0 DAADMO O=C(NCCN1CC[NH+](CCn2cncn2)CC1)c1cnon1 ZINC001376106242 920857158 /nfs/dbraw/zinc/85/71/58/920857158.db2.gz SQDVCZHNUPZNEE-UHFFFAOYSA-N 1 1 320.357 -1.291 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100256 920857373 /nfs/dbraw/zinc/85/73/73/920857373.db2.gz UPLKRMTZGKZLAL-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100256 920857381 /nfs/dbraw/zinc/85/73/81/920857381.db2.gz UPLKRMTZGKZLAL-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001376104402 920858946 /nfs/dbraw/zinc/85/89/46/920858946.db2.gz YABRXRJQKBLWHS-CABZTGNLSA-N 1 1 300.315 -1.757 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100254 920859079 /nfs/dbraw/zinc/85/90/79/920859079.db2.gz UMDRBJBGTVYMSV-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100250 920859588 /nfs/dbraw/zinc/85/95/88/920859588.db2.gz UMDRBJBGTVYMSV-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376117276 920861230 /nfs/dbraw/zinc/86/12/30/920861230.db2.gz GPLCMSQGHVUSSP-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001376117276 920861240 /nfs/dbraw/zinc/86/12/40/920861240.db2.gz GPLCMSQGHVUSSP-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376116586 920863240 /nfs/dbraw/zinc/86/32/40/920863240.db2.gz GPLUMJJDWYJHPH-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376116585 920863344 /nfs/dbraw/zinc/86/33/44/920863344.db2.gz GPLUMJJDWYJHPH-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001376130194 920864952 /nfs/dbraw/zinc/86/49/52/920864952.db2.gz RXTIKKWBMAQMJV-LLVKDONJSA-N 1 1 310.358 -1.595 20 0 DAADMO C[C@]1(CCC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCC(=O)N1 ZINC001376124083 920865331 /nfs/dbraw/zinc/86/53/31/920865331.db2.gz UKMHTLFJIFQXAG-GJZGRUSLSA-N 1 1 313.398 -1.019 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001376126685 920865526 /nfs/dbraw/zinc/86/55/26/920865526.db2.gz ZVLRUAREBLVNAV-GWCFXTLKSA-N 1 1 314.342 -1.448 20 0 DAADMO O=C(COC[C@H]1CCCO1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376125777 920865809 /nfs/dbraw/zinc/86/58/09/920865809.db2.gz XSBJBMMFWFQILI-OCCSQVGLSA-N 1 1 302.371 -1.273 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376126397 920865952 /nfs/dbraw/zinc/86/59/52/920865952.db2.gz XXJYZMCMGFUEGS-CMPLNLGQSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001376124791 920866154 /nfs/dbraw/zinc/86/61/54/920866154.db2.gz LINXOQFCWLRHNY-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001376123839 920866988 /nfs/dbraw/zinc/86/69/88/920866988.db2.gz KASVRABDICFJFB-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001376123839 920867011 /nfs/dbraw/zinc/86/70/11/920867011.db2.gz KASVRABDICFJFB-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001376130555 920868903 /nfs/dbraw/zinc/86/89/03/920868903.db2.gz GLSZLPAARYKWIU-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001376130773 920869144 /nfs/dbraw/zinc/86/91/44/920869144.db2.gz QYMXJYFVMLWCJD-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376143349 920872822 /nfs/dbraw/zinc/87/28/22/920872822.db2.gz QXBFETGHCNHOTB-JTQLQIEISA-N 1 1 309.374 -2.033 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001376148210 920874250 /nfs/dbraw/zinc/87/42/50/920874250.db2.gz GWWWHUDJGTZRCD-LLVKDONJSA-N 1 1 305.346 -1.455 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)C1CC[NH+](CC(N)=O)CC1 ZINC001376181290 920883830 /nfs/dbraw/zinc/88/38/30/920883830.db2.gz BWAWMRLTMXEHDI-UHFFFAOYSA-N 1 1 309.374 -1.139 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376227788 920894638 /nfs/dbraw/zinc/89/46/38/920894638.db2.gz AVNCACYIOLHPBM-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001376225873 920894988 /nfs/dbraw/zinc/89/49/88/920894988.db2.gz WONJRAXWVASVPZ-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001376225912 920895302 /nfs/dbraw/zinc/89/53/02/920895302.db2.gz WONJRAXWVASVPZ-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001376225886 920895376 /nfs/dbraw/zinc/89/53/76/920895376.db2.gz WONJRAXWVASVPZ-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cnnn3C)C2)C1 ZINC001376237484 920898289 /nfs/dbraw/zinc/89/82/89/920898289.db2.gz SVAKERCAWDJBNU-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1(O)CN(CC(N)=O)C1)CC2 ZINC001376231756 920898625 /nfs/dbraw/zinc/89/86/25/920898625.db2.gz FYSPDQUWUBKHJL-NSHDSACASA-N 1 1 321.381 -1.598 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001376232168 920899280 /nfs/dbraw/zinc/89/92/80/920899280.db2.gz MGZZCDLNMZRUTM-MNOVXSKESA-N 1 1 312.370 -1.743 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)c2nnn(C)n2)C2CC2)n1 ZINC001376243299 920901516 /nfs/dbraw/zinc/90/15/16/920901516.db2.gz NLLANVCHRZWEJA-JTQLQIEISA-N 1 1 305.346 -1.363 20 0 DAADMO Cc1nnc(C[NH2+][C@H](CNC(=O)c2nnn(C)n2)C2CC2)[nH]1 ZINC001376244138 920903019 /nfs/dbraw/zinc/90/30/19/920903019.db2.gz OYZJDOVGBPPCSC-SECBINFHSA-N 1 1 305.346 -1.065 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376268912 920907683 /nfs/dbraw/zinc/90/76/83/920907683.db2.gz CDTFEBVUZBPFKV-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(Cc2cnnn2C)C1 ZINC001376271915 920907721 /nfs/dbraw/zinc/90/77/21/920907721.db2.gz RHQUKQDJLGXGMU-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001376288733 920912210 /nfs/dbraw/zinc/91/22/10/920912210.db2.gz JDVYPUJWLYIWTF-MNOVXSKESA-N 1 1 309.374 -1.283 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001376277146 920912680 /nfs/dbraw/zinc/91/26/80/920912680.db2.gz RCLARUYFNQADTE-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)C1 ZINC001376301593 920914603 /nfs/dbraw/zinc/91/46/03/920914603.db2.gz YASLZNHPGPPAJF-NEPJUHHUSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@@H](C)O)C2)C1 ZINC001376301593 920914611 /nfs/dbraw/zinc/91/46/11/920914611.db2.gz YASLZNHPGPPAJF-NEPJUHHUSA-N 1 1 301.387 -1.749 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001376297097 920916062 /nfs/dbraw/zinc/91/60/62/920916062.db2.gz MJFJBDXEIXHVGE-JTQLQIEISA-N 1 1 309.370 -1.511 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)C1 ZINC001376301595 920916436 /nfs/dbraw/zinc/91/64/36/920916436.db2.gz YASLZNHPGPPAJF-NWDGAFQWSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)C1 ZINC001376301595 920916446 /nfs/dbraw/zinc/91/64/46/920916446.db2.gz YASLZNHPGPPAJF-NWDGAFQWSA-N 1 1 301.387 -1.749 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376298312 920916566 /nfs/dbraw/zinc/91/65/66/920916566.db2.gz UBJNQIKNYJCYSR-LLVKDONJSA-N 1 1 313.402 -1.216 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001376297078 920916627 /nfs/dbraw/zinc/91/66/27/920916627.db2.gz LWZLQHGMMQOQEM-GFCCVEGCSA-N 1 1 312.370 -1.638 20 0 DAADMO CCn1cc(C[NH2+][C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001376294260 920916737 /nfs/dbraw/zinc/91/67/37/920916737.db2.gz DNYDACXHSSLULY-VXGBXAGGSA-N 1 1 321.385 -1.036 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001376317575 920917842 /nfs/dbraw/zinc/91/78/42/920917842.db2.gz GAAPHIQIHQDQGY-QMMMGPOBSA-N 1 1 307.310 -1.214 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001376314645 920919629 /nfs/dbraw/zinc/91/96/29/920919629.db2.gz TUKHRWRNBDSKJH-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001376330967 920923632 /nfs/dbraw/zinc/92/36/32/920923632.db2.gz OLHCQNGINMXYHC-JTQLQIEISA-N 1 1 324.341 -1.988 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376356506 920926197 /nfs/dbraw/zinc/92/61/97/920926197.db2.gz GSFWXRVEHMUYGS-KYZUINATSA-N 1 1 301.372 -1.404 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001376381721 920927535 /nfs/dbraw/zinc/92/75/35/920927535.db2.gz KUHDLDUCEAXMHR-FRRDWIJNSA-N 1 1 308.382 -1.257 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001376383038 920927650 /nfs/dbraw/zinc/92/76/50/920927650.db2.gz RPYKLRJVDGMBSG-FTYKPCCVSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001376393470 920927727 /nfs/dbraw/zinc/92/77/27/920927727.db2.gz FCWSCEHVWYPCSH-PHIMTYICSA-N 1 1 311.386 -1.606 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001376380610 920928158 /nfs/dbraw/zinc/92/81/58/920928158.db2.gz CGOJPEOGSWPNEP-BETUJISGSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001376372121 920929482 /nfs/dbraw/zinc/92/94/82/920929482.db2.gz QLQHUAGRCFWYEZ-IWSPIJDZSA-N 1 1 310.362 -1.606 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001376398015 920931638 /nfs/dbraw/zinc/93/16/38/920931638.db2.gz IUOBHEHYXDAJAV-XYPYZODXSA-N 1 1 324.385 -1.031 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]2C1 ZINC001376405598 920932518 /nfs/dbraw/zinc/93/25/18/920932518.db2.gz BHWOCMOOXOGWHA-RVMXOQNASA-N 1 1 313.398 -1.105 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)NC[C@H]1CCCO1 ZINC001376430699 920933248 /nfs/dbraw/zinc/93/32/48/920933248.db2.gz XRSBXHMGFHGGCH-GMTAPVOTSA-N 1 1 322.369 -1.050 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C1 ZINC001376397842 920934173 /nfs/dbraw/zinc/93/41/73/920934173.db2.gz NTTXNSNZUJRCDY-SDDRHHMPSA-N 1 1 319.427 -1.351 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376403580 920934244 /nfs/dbraw/zinc/93/42/44/920934244.db2.gz JAOJNKDRJZFSFS-WHOHXGKFSA-N 1 1 324.381 -1.004 20 0 DAADMO COCCC(=O)NC[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001376437571 920935437 /nfs/dbraw/zinc/93/54/37/920935437.db2.gz HPNXFTZMOJRZFH-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCCC2=O)C1 ZINC001376451948 920937671 /nfs/dbraw/zinc/93/76/71/920937671.db2.gz SWQZQFSLETVANV-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001376450494 920937978 /nfs/dbraw/zinc/93/79/78/920937978.db2.gz BKGXYYSBBFBKPT-JSGCOSHPSA-N 1 1 312.370 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001376450491 920938660 /nfs/dbraw/zinc/93/86/60/920938660.db2.gz BKGXYYSBBFBKPT-GXTWGEPZSA-N 1 1 312.370 -1.026 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001376455423 920938698 /nfs/dbraw/zinc/93/86/98/920938698.db2.gz IETNSGNHHMKJEK-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001376460601 920940983 /nfs/dbraw/zinc/94/09/83/920940983.db2.gz YUNYEDOZDAXRBB-AXFHLTTASA-N 1 1 310.358 -1.248 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cnccn1 ZINC001376479930 920948615 /nfs/dbraw/zinc/94/86/15/920948615.db2.gz FXYUYMKQCJZPJT-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)S(C)(=O)=O ZINC001376476185 920949075 /nfs/dbraw/zinc/94/90/75/920949075.db2.gz CMUJRFGCLJHYTH-DTORHVGOSA-N 1 1 316.387 -1.454 20 0 DAADMO CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)S(C)(=O)=O ZINC001376476185 920949090 /nfs/dbraw/zinc/94/90/90/920949090.db2.gz CMUJRFGCLJHYTH-DTORHVGOSA-N 1 1 316.387 -1.454 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487505 920951376 /nfs/dbraw/zinc/95/13/76/920951376.db2.gz IPECTNJUWHWAPX-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C2=COCCO2)C1 ZINC001376488460 920952196 /nfs/dbraw/zinc/95/21/96/920952196.db2.gz VZQSUXOFHHUHDI-QWRGUYRKSA-N 1 1 313.354 -1.580 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001376493320 920953231 /nfs/dbraw/zinc/95/32/31/920953231.db2.gz ZWWIHZXYENBPOX-NWDGAFQWSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001376493323 920953363 /nfs/dbraw/zinc/95/33/63/920953363.db2.gz ZWWIHZXYENBPOX-RYUDHWBXSA-N 1 1 314.386 -1.800 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001376497619 920956499 /nfs/dbraw/zinc/95/64/99/920956499.db2.gz AGEFRVAYKMVXFA-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001376497648 920956647 /nfs/dbraw/zinc/95/66/47/920956647.db2.gz AGEFRVAYKMVXFA-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnn(C)c2)C1 ZINC001376497082 920956689 /nfs/dbraw/zinc/95/66/89/920956689.db2.gz IFWKZGXCNDKRCB-AAEUAGOBSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cnn1C ZINC001376499437 920957678 /nfs/dbraw/zinc/95/76/78/920957678.db2.gz MZWMNGOOLUOPOW-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001376506535 920961126 /nfs/dbraw/zinc/96/11/26/920961126.db2.gz JFFBDASRLAJBCC-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001376506529 920961713 /nfs/dbraw/zinc/96/17/13/920961713.db2.gz JFFBDASRLAJBCC-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001376511239 920965120 /nfs/dbraw/zinc/96/51/20/920965120.db2.gz PJPBULSLZCEFIJ-GFCCVEGCSA-N 1 1 322.427 -1.132 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001376511239 920965134 /nfs/dbraw/zinc/96/51/34/920965134.db2.gz PJPBULSLZCEFIJ-GFCCVEGCSA-N 1 1 322.427 -1.132 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376519585 920965250 /nfs/dbraw/zinc/96/52/50/920965250.db2.gz XBUCPMXACMVLEO-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001376543448 920972374 /nfs/dbraw/zinc/97/23/74/920972374.db2.gz AXUFLIBVHUFBAB-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)c1ncccc1O ZINC001376540825 920972471 /nfs/dbraw/zinc/97/24/71/920972471.db2.gz RAIRDGAGRXJRQQ-JTQLQIEISA-N 1 1 310.354 -1.054 20 0 DAADMO Cc1cc(C(=O)N(CCO)CC[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001376542509 920972846 /nfs/dbraw/zinc/97/28/46/920972846.db2.gz UBPKTFPUZUIVEK-LLVKDONJSA-N 1 1 309.370 -1.027 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001376543442 920973830 /nfs/dbraw/zinc/97/38/30/920973830.db2.gz AXUFLIBVHUFBAB-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1ccon1 ZINC001376544408 920974813 /nfs/dbraw/zinc/97/48/13/920974813.db2.gz NDHCIVRROBMQBS-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@]12C[C@H]1COC2)c1nnnn1C ZINC001376544554 920974877 /nfs/dbraw/zinc/97/48/77/920974877.db2.gz ZAPCPZXRASRTHO-SUNKGSAMSA-N 1 1 324.385 -1.282 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001376549578 920978326 /nfs/dbraw/zinc/97/83/26/920978326.db2.gz NAELPGAQYRGNBC-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549578 920978338 /nfs/dbraw/zinc/97/83/38/920978338.db2.gz NAELPGAQYRGNBC-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549578 920978352 /nfs/dbraw/zinc/97/83/52/920978352.db2.gz NAELPGAQYRGNBC-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1)c1ncccn1 ZINC001376553148 920981874 /nfs/dbraw/zinc/98/18/74/920981874.db2.gz XZLOAMWUYPHELI-GHMZBOCLSA-N 1 1 322.369 -1.371 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn(C)cn2)C1 ZINC001376567042 920983290 /nfs/dbraw/zinc/98/32/90/920983290.db2.gz CBEVHTNXJHZECQ-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001376564937 920983403 /nfs/dbraw/zinc/98/34/03/920983403.db2.gz UECOMMHPRKLBMZ-PSASIEDQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001376564937 920983417 /nfs/dbraw/zinc/98/34/17/920983417.db2.gz UECOMMHPRKLBMZ-PSASIEDQSA-N 1 1 313.314 -2.393 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001376586107 920984956 /nfs/dbraw/zinc/98/49/56/920984956.db2.gz XIUUTSARYGKCLD-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001376586105 920985555 /nfs/dbraw/zinc/98/55/55/920985555.db2.gz XIUUTSARYGKCLD-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001376594631 920988417 /nfs/dbraw/zinc/98/84/17/920988417.db2.gz BSLFFLHEJZFZGR-ZYHUDNBSSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001376593870 920988471 /nfs/dbraw/zinc/98/84/71/920988471.db2.gz YERPYEQDXUDFNA-UWVGGRQHSA-N 1 1 324.385 -1.839 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376622486 920992638 /nfs/dbraw/zinc/99/26/38/920992638.db2.gz CIRQRFMJWHHLQD-MWLCHTKSSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376622489 920993168 /nfs/dbraw/zinc/99/31/68/920993168.db2.gz CIRQRFMJWHHLQD-ONGXEEELSA-N 1 1 323.353 -1.659 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001376616848 920993494 /nfs/dbraw/zinc/99/34/94/920993494.db2.gz BRCMBBYCBYEONT-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001376626339 920994991 /nfs/dbraw/zinc/99/49/91/920994991.db2.gz BDUHLUFZNVIOFH-DGTMBMJNSA-N 1 1 313.398 -1.629 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001376628563 920995090 /nfs/dbraw/zinc/99/50/90/920995090.db2.gz ZUJAIUMUNUDJJK-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001376629910 920995172 /nfs/dbraw/zinc/99/51/72/920995172.db2.gz LTXSSDIZLXUOSZ-NEPJUHHUSA-N 1 1 300.403 -1.245 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+][C@@H](C)c1ncccn1 ZINC001376638487 920998261 /nfs/dbraw/zinc/99/82/61/920998261.db2.gz SHTVSANMGDQPNH-NSHDSACASA-N 1 1 324.385 -1.123 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001376634580 920999467 /nfs/dbraw/zinc/99/94/67/920999467.db2.gz POUWJXJRAGPFFI-SNVBAGLBSA-N 1 1 312.374 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001376634577 920999643 /nfs/dbraw/zinc/99/96/43/920999643.db2.gz POUWJXJRAGPFFI-JTQLQIEISA-N 1 1 312.374 -1.386 20 0 DAADMO CN1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001376642338 921002392 /nfs/dbraw/zinc/00/23/92/921002392.db2.gz ZBNLGMFHRBDOQU-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001376643814 921003381 /nfs/dbraw/zinc/00/33/81/921003381.db2.gz NPGQSHQNNQTFCX-ZTVLKNOQSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001376646617 921004189 /nfs/dbraw/zinc/00/41/89/921004189.db2.gz VGBVZIBSYFETST-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001376646617 921004203 /nfs/dbraw/zinc/00/42/03/921004203.db2.gz VGBVZIBSYFETST-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001376651625 921006713 /nfs/dbraw/zinc/00/67/13/921006713.db2.gz KPJQNMRCKMXLNI-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001376651625 921006725 /nfs/dbraw/zinc/00/67/25/921006725.db2.gz KPJQNMRCKMXLNI-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001376651625 921006741 /nfs/dbraw/zinc/00/67/41/921006741.db2.gz KPJQNMRCKMXLNI-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001376666505 921012363 /nfs/dbraw/zinc/01/23/63/921012363.db2.gz YPZLHYRNRNFJKA-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)CNC(=O)Cn1ncnn1 ZINC001376719072 921016891 /nfs/dbraw/zinc/01/68/91/921016891.db2.gz BOTPRKJYSBZCGA-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001376733031 921021688 /nfs/dbraw/zinc/02/16/88/921021688.db2.gz BGKYKUUTPSIXFE-QMMMGPOBSA-N 1 1 310.362 -1.605 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001376748178 921025016 /nfs/dbraw/zinc/02/50/16/921025016.db2.gz UEVJRWGKPPYFRY-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001376748179 921025342 /nfs/dbraw/zinc/02/53/42/921025342.db2.gz UEVJRWGKPPYFRY-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001376756359 921026850 /nfs/dbraw/zinc/02/68/50/921026850.db2.gz JORMXVWKPWQXCI-JTQLQIEISA-N 1 1 324.389 -2.422 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001376785419 921029283 /nfs/dbraw/zinc/02/92/83/921029283.db2.gz OOTGISNZCKLRRR-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001376782667 921029613 /nfs/dbraw/zinc/02/96/13/921029613.db2.gz JCLMXRZPIDQACU-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001376782660 921030507 /nfs/dbraw/zinc/03/05/07/921030507.db2.gz JCLMXRZPIDQACU-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001376796019 921031285 /nfs/dbraw/zinc/03/12/85/921031285.db2.gz BOEVLIIUCJOPJQ-FKTZTGRPSA-N 1 1 310.358 -1.260 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001376821962 921032455 /nfs/dbraw/zinc/03/24/55/921032455.db2.gz HLEZCWGRBOYCDF-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001376821962 921032469 /nfs/dbraw/zinc/03/24/69/921032469.db2.gz HLEZCWGRBOYCDF-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](CNC(=O)Cc1cncnc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376825712 921033900 /nfs/dbraw/zinc/03/39/00/921033900.db2.gz BWZRHSSUGBVOAA-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](CNC(=O)Cc1cncnc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376825712 921033913 /nfs/dbraw/zinc/03/39/13/921033913.db2.gz BWZRHSSUGBVOAA-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001376814185 921034590 /nfs/dbraw/zinc/03/45/90/921034590.db2.gz UMHZWNSIBWDGKR-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376796668 921034794 /nfs/dbraw/zinc/03/47/94/921034794.db2.gz DDZASRNKGIWSGH-RKDXNWHRSA-N 1 1 323.357 -1.916 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001376841065 921036196 /nfs/dbraw/zinc/03/61/96/921036196.db2.gz CWAHORKDWWWHDS-WDEREUQCSA-N 1 1 322.369 -1.150 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001376829345 921036414 /nfs/dbraw/zinc/03/64/14/921036414.db2.gz ULFLPTOEJZFBNV-YUMQZZPRSA-N 1 1 318.403 -1.355 20 0 DAADMO CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001376845478 921041339 /nfs/dbraw/zinc/04/13/39/921041339.db2.gz XNZJCPFUXSEKER-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001376857842 921045784 /nfs/dbraw/zinc/04/57/84/921045784.db2.gz VYWAIAPNJYOGFN-QWHCGFSZSA-N 1 1 312.370 -1.224 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001376852861 921045917 /nfs/dbraw/zinc/04/59/17/921045917.db2.gz WDYRGVSKAUEZFR-LLVKDONJSA-N 1 1 322.369 -1.277 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001376857845 921046076 /nfs/dbraw/zinc/04/60/76/921046076.db2.gz VYWAIAPNJYOGFN-STQMWFEESA-N 1 1 312.370 -1.224 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001377395286 921812106 /nfs/dbraw/zinc/81/21/06/921812106.db2.gz BLHWJHNFIARGSZ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001377395286 921812117 /nfs/dbraw/zinc/81/21/17/921812117.db2.gz BLHWJHNFIARGSZ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001377395622 921812331 /nfs/dbraw/zinc/81/23/31/921812331.db2.gz VGCFOYJKPDDTLX-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001377395622 921812340 /nfs/dbraw/zinc/81/23/40/921812340.db2.gz VGCFOYJKPDDTLX-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CCNC1=O ZINC001377387710 921813074 /nfs/dbraw/zinc/81/30/74/921813074.db2.gz YMPBXUVKPCVMTD-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001377411176 921815937 /nfs/dbraw/zinc/81/59/37/921815937.db2.gz UEIIXWNNVDGQDM-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377420355 921816275 /nfs/dbraw/zinc/81/62/75/921816275.db2.gz GJCRTZVLVZXCPF-GXSJLCMTSA-N 1 1 324.385 -1.429 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001377425219 921817801 /nfs/dbraw/zinc/81/78/01/921817801.db2.gz NHMWLPVEYZVLMG-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001377425219 921817808 /nfs/dbraw/zinc/81/78/08/921817808.db2.gz NHMWLPVEYZVLMG-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416890 921817970 /nfs/dbraw/zinc/81/79/70/921817970.db2.gz PAAHLDXPPRQFIL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416890 921817976 /nfs/dbraw/zinc/81/79/76/921817976.db2.gz PAAHLDXPPRQFIL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001377444623 921820007 /nfs/dbraw/zinc/82/00/07/921820007.db2.gz QYHHJTPOQKJXKM-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001377444623 921820014 /nfs/dbraw/zinc/82/00/14/921820014.db2.gz QYHHJTPOQKJXKM-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377439004 921820169 /nfs/dbraw/zinc/82/01/69/921820169.db2.gz IPYCCJUDDSWXPS-RYUDHWBXSA-N 1 1 324.381 -1.828 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001377443363 921820648 /nfs/dbraw/zinc/82/06/48/921820648.db2.gz YDAJKDPATVEEFO-ZJUUUORDSA-N 1 1 314.342 -1.965 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001377451445 921820863 /nfs/dbraw/zinc/82/08/63/921820863.db2.gz JEMIFSARNSUWMW-GHMZBOCLSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377440031 921821088 /nfs/dbraw/zinc/82/10/88/921821088.db2.gz AFIUYDXTMZNAAQ-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377440457 921821199 /nfs/dbraw/zinc/82/11/99/921821199.db2.gz BLSGEUKTLJYMKU-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001377446277 921821263 /nfs/dbraw/zinc/82/12/63/921821263.db2.gz WGRZKMBCGVXDTL-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001377447913 921821742 /nfs/dbraw/zinc/82/17/42/921821742.db2.gz QQEYKRRDJIEUCN-GHMZBOCLSA-N 1 1 324.385 -1.716 20 0 DAADMO NC(=O)NC(=O)CN1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377471689 921823527 /nfs/dbraw/zinc/82/35/27/921823527.db2.gz WJGSHDRZZPXEDU-NSHDSACASA-N 1 1 323.397 -1.285 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001377451455 921824482 /nfs/dbraw/zinc/82/44/82/921824482.db2.gz JEMIFSARNSUWMW-WDEREUQCSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001377462019 921824976 /nfs/dbraw/zinc/82/49/76/921824976.db2.gz LLKGYPSQGHAHTH-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001377462019 921824989 /nfs/dbraw/zinc/82/49/89/921824989.db2.gz LLKGYPSQGHAHTH-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H](C)C(N)=O ZINC001377494188 921827889 /nfs/dbraw/zinc/82/78/89/921827889.db2.gz JDXWQWVUZYUYRP-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)C1CC1 ZINC001377529094 921830004 /nfs/dbraw/zinc/83/00/04/921830004.db2.gz UMVFXAMFPQOOTG-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001377527329 921830524 /nfs/dbraw/zinc/83/05/24/921830524.db2.gz CBZURBJPARINPF-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001377527329 921830529 /nfs/dbraw/zinc/83/05/29/921830529.db2.gz CBZURBJPARINPF-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001377518825 921830877 /nfs/dbraw/zinc/83/08/77/921830877.db2.gz QWHYNVNYPHXREO-OLZOCXBDSA-N 1 1 302.371 -1.010 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001377514474 921830933 /nfs/dbraw/zinc/83/09/33/921830933.db2.gz URUIVGMPKCYOEJ-GXSJLCMTSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001377514474 921830946 /nfs/dbraw/zinc/83/09/46/921830946.db2.gz URUIVGMPKCYOEJ-GXSJLCMTSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377511942 921831361 /nfs/dbraw/zinc/83/13/61/921831361.db2.gz HLELYBLAMXHKSB-IEECTRCBSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377511942 921831375 /nfs/dbraw/zinc/83/13/75/921831375.db2.gz HLELYBLAMXHKSB-IEECTRCBSA-N 1 1 311.382 -1.170 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC001377514612 921832131 /nfs/dbraw/zinc/83/21/31/921832131.db2.gz OUFLKJSXFODASR-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](CC(=O)NC1CC1)C1CC1 ZINC001377514612 921832147 /nfs/dbraw/zinc/83/21/47/921832147.db2.gz OUFLKJSXFODASR-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO CC(C)NC(=O)C[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377547150 921833634 /nfs/dbraw/zinc/83/36/34/921833634.db2.gz XFYKTFXFENIQEO-UHFFFAOYSA-N 1 1 309.374 -1.071 20 0 DAADMO CC(C)NC(=O)C[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377547150 921833643 /nfs/dbraw/zinc/83/36/43/921833643.db2.gz XFYKTFXFENIQEO-UHFFFAOYSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001377541298 921834129 /nfs/dbraw/zinc/83/41/29/921834129.db2.gz HHGKIXBBDFJQMZ-SNVBAGLBSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001377541298 921834144 /nfs/dbraw/zinc/83/41/44/921834144.db2.gz HHGKIXBBDFJQMZ-SNVBAGLBSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001377540981 921834464 /nfs/dbraw/zinc/83/44/64/921834464.db2.gz DDCMBKKKVCNYPL-SECBINFHSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CO)(NC(=O)C2CC2)CC1 ZINC001377551348 921835089 /nfs/dbraw/zinc/83/50/89/921835089.db2.gz QREBHXNTHBHMPA-SECBINFHSA-N 1 1 312.370 -1.077 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)O1 ZINC001377555534 921835443 /nfs/dbraw/zinc/83/54/43/921835443.db2.gz VEOSMDCMSWBTFA-SDDRHHMPSA-N 1 1 324.381 -1.512 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)O1 ZINC001377555534 921835458 /nfs/dbraw/zinc/83/54/58/921835458.db2.gz VEOSMDCMSWBTFA-SDDRHHMPSA-N 1 1 324.381 -1.512 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C1CC1 ZINC001377558636 921835606 /nfs/dbraw/zinc/83/56/06/921835606.db2.gz PFYZBWMFYLBWGT-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NCC[N@H+](CCO)C1CC1 ZINC001377546594 921835722 /nfs/dbraw/zinc/83/57/22/921835722.db2.gz KAXREVAAPBCAHX-UHFFFAOYSA-N 1 1 320.353 -1.536 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCCNC2=O)n1 ZINC001377543677 921836110 /nfs/dbraw/zinc/83/61/10/921836110.db2.gz GOAFUCMYRPHNBQ-SNVBAGLBSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCCNC2=O)n1 ZINC001377543677 921836116 /nfs/dbraw/zinc/83/61/16/921836116.db2.gz GOAFUCMYRPHNBQ-SNVBAGLBSA-N 1 1 307.358 -1.317 20 0 DAADMO O=C(Cn1cccn1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001377551519 921836181 /nfs/dbraw/zinc/83/61/81/921836181.db2.gz PXXGIRFBBTYTFD-GFCCVEGCSA-N 1 1 321.381 -1.285 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001377563337 921837991 /nfs/dbraw/zinc/83/79/91/921837991.db2.gz APORWHONQPDUEQ-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001377563337 921837998 /nfs/dbraw/zinc/83/79/98/921837998.db2.gz APORWHONQPDUEQ-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C[C@H](C)O)C2CC2)c(=O)n1C ZINC001377573007 921838134 /nfs/dbraw/zinc/83/81/34/921838134.db2.gz WCADYKGVEXZHGN-JTQLQIEISA-N 1 1 311.386 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001377563741 921838487 /nfs/dbraw/zinc/83/84/87/921838487.db2.gz GGNZXAITHWVYTE-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001377563741 921838498 /nfs/dbraw/zinc/83/84/98/921838498.db2.gz GGNZXAITHWVYTE-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001377561503 921839433 /nfs/dbraw/zinc/83/94/33/921839433.db2.gz UWQXQNSHLYLQFQ-SNVBAGLBSA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001377565632 921839830 /nfs/dbraw/zinc/83/98/30/921839830.db2.gz IURWORQQBAMEBW-ZJUUUORDSA-N 1 1 312.370 -2.203 20 0 DAADMO C[C@@H]([NH2+][C@H](CNC(=O)Cn1cnnn1)c1ccccc1)C(N)=O ZINC001377607958 921844405 /nfs/dbraw/zinc/84/44/05/921844405.db2.gz JNGRFJKDMABHEC-ZYHUDNBSSA-N 1 1 317.353 -1.006 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001377667208 921848337 /nfs/dbraw/zinc/84/83/37/921848337.db2.gz NXCORPHNRZIENB-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001377667208 921848347 /nfs/dbraw/zinc/84/83/47/921848347.db2.gz NXCORPHNRZIENB-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001377667218 921849139 /nfs/dbraw/zinc/84/91/39/921849139.db2.gz NXCORPHNRZIENB-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001377667218 921849157 /nfs/dbraw/zinc/84/91/57/921849157.db2.gz NXCORPHNRZIENB-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377680149 921849796 /nfs/dbraw/zinc/84/97/96/921849796.db2.gz SUZUKYMKQQJJAK-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377680149 921849807 /nfs/dbraw/zinc/84/98/07/921849807.db2.gz SUZUKYMKQQJJAK-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001377644771 921850554 /nfs/dbraw/zinc/85/05/54/921850554.db2.gz YSMKJKJRWMDULJ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001377644771 921850563 /nfs/dbraw/zinc/85/05/63/921850563.db2.gz YSMKJKJRWMDULJ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001377700855 921851696 /nfs/dbraw/zinc/85/16/96/921851696.db2.gz PVUJXIHRDAXMBW-GFCCVEGCSA-N 1 1 314.386 -1.941 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377690389 921852319 /nfs/dbraw/zinc/85/23/19/921852319.db2.gz HFJXNNLSHWEWOP-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001377685252 921852481 /nfs/dbraw/zinc/85/24/81/921852481.db2.gz DDOTVIVEANJYED-TUAOUCFPSA-N 1 1 316.402 -1.121 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377688065 921853241 /nfs/dbraw/zinc/85/32/41/921853241.db2.gz DPIHTBRYXUCANU-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377731790 921855132 /nfs/dbraw/zinc/85/51/32/921855132.db2.gz XXOALXIXCQXODM-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO O=C(Cn1cncn1)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377722944 921855338 /nfs/dbraw/zinc/85/53/38/921855338.db2.gz SXLDUMJVISXVPV-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cncn2)C1 ZINC001377721688 921857067 /nfs/dbraw/zinc/85/70/67/921857067.db2.gz PIDPTULBQHAUNF-SNVBAGLBSA-N 1 1 323.357 -1.699 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001377749642 921858426 /nfs/dbraw/zinc/85/84/26/921858426.db2.gz KBJOPSBYUIXEJU-VIFPVBQESA-N 1 1 323.357 -1.596 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(=O)n(C)cn1 ZINC001377741767 921859071 /nfs/dbraw/zinc/85/90/71/921859071.db2.gz FCKWUYLNAYUXDP-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(=O)n(C)cn1 ZINC001377741764 921859830 /nfs/dbraw/zinc/85/98/30/921859830.db2.gz FCKWUYLNAYUXDP-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001377826529 921868106 /nfs/dbraw/zinc/86/81/06/921868106.db2.gz TXFBBGRQYCETLE-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377826529 921868121 /nfs/dbraw/zinc/86/81/21/921868121.db2.gz TXFBBGRQYCETLE-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001377823513 921868461 /nfs/dbraw/zinc/86/84/61/921868461.db2.gz MLGQSUCJNZABHF-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377882326 921873354 /nfs/dbraw/zinc/87/33/54/921873354.db2.gz RMJKHRMJWDOGGV-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001377885554 921876350 /nfs/dbraw/zinc/87/63/50/921876350.db2.gz RTUMIHNWGYOYJV-NSHDSACASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)[NH2+]Cc1cnon1 ZINC001377917226 921880638 /nfs/dbraw/zinc/88/06/38/921880638.db2.gz MYEVMEWMUGOBQV-IUCAKERBSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)[NH2+]Cc1cnon1 ZINC001377917220 921881280 /nfs/dbraw/zinc/88/12/80/921881280.db2.gz MYEVMEWMUGOBQV-DTWKUNHWSA-N 1 1 319.387 -1.056 20 0 DAADMO CCN(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001377945393 921888048 /nfs/dbraw/zinc/88/80/48/921888048.db2.gz XXECSTQLCOFUEZ-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001377945393 921888058 /nfs/dbraw/zinc/88/80/58/921888058.db2.gz XXECSTQLCOFUEZ-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001377968839 921889333 /nfs/dbraw/zinc/88/93/33/921889333.db2.gz FJOLNJMOMLNAOO-VIFPVBQESA-N 1 1 320.415 -1.892 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001377969822 921890033 /nfs/dbraw/zinc/89/00/33/921890033.db2.gz IITJQIZTBKXESB-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001377969822 921890043 /nfs/dbraw/zinc/89/00/43/921890043.db2.gz IITJQIZTBKXESB-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001377986374 921893760 /nfs/dbraw/zinc/89/37/60/921893760.db2.gz SGAMKKNRMBOVPK-LLVKDONJSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001377981972 921894564 /nfs/dbraw/zinc/89/45/64/921894564.db2.gz JWNWZWQJJUMWHQ-SECBINFHSA-N 1 1 323.353 -1.869 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377986376 921895012 /nfs/dbraw/zinc/89/50/12/921895012.db2.gz SGAMKKNRMBOVPK-NSHDSACASA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017432 921896778 /nfs/dbraw/zinc/89/67/78/921896778.db2.gz UHEMWWCPDYZVNN-RYUDHWBXSA-N 1 1 321.443 -1.202 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017432 921896795 /nfs/dbraw/zinc/89/67/95/921896795.db2.gz UHEMWWCPDYZVNN-RYUDHWBXSA-N 1 1 321.443 -1.202 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2cnn(C)n2)C1 ZINC001377996325 921897360 /nfs/dbraw/zinc/89/73/60/921897360.db2.gz NGEDFHREHHMQKO-JTQLQIEISA-N 1 1 308.386 -1.070 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2cnn(C)n2)C1 ZINC001377996328 921897486 /nfs/dbraw/zinc/89/74/86/921897486.db2.gz NGEDFHREHHMQKO-SNVBAGLBSA-N 1 1 308.386 -1.070 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnn1C ZINC001378004397 921898576 /nfs/dbraw/zinc/89/85/76/921898576.db2.gz QRGVNTIUOYMJBZ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnn1C ZINC001378004397 921898586 /nfs/dbraw/zinc/89/85/86/921898586.db2.gz QRGVNTIUOYMJBZ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001378024307 921902086 /nfs/dbraw/zinc/90/20/86/921902086.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 1 1 313.398 -1.391 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001378024307 921902096 /nfs/dbraw/zinc/90/20/96/921902096.db2.gz PTJBNBTWSCSMFT-IGQOVBAYSA-N 1 1 313.398 -1.391 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001378038552 921904029 /nfs/dbraw/zinc/90/40/29/921904029.db2.gz BTJOKZTYPWWMTQ-NEPJUHHUSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001378038559 921905402 /nfs/dbraw/zinc/90/54/02/921905402.db2.gz BTJOKZTYPWWMTQ-RYUDHWBXSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001378038562 921905781 /nfs/dbraw/zinc/90/57/81/921905781.db2.gz BTJOKZTYPWWMTQ-VXGBXAGGSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378050308 921906252 /nfs/dbraw/zinc/90/62/52/921906252.db2.gz DCJFJLWMXNUXRK-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001378050310 921906337 /nfs/dbraw/zinc/90/63/37/921906337.db2.gz DCJFJLWMXNUXRK-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001378057718 921908011 /nfs/dbraw/zinc/90/80/11/921908011.db2.gz OYSKJEBTCACHSQ-VIFPVBQESA-N 1 1 322.387 -1.918 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001378057718 921908026 /nfs/dbraw/zinc/90/80/26/921908026.db2.gz OYSKJEBTCACHSQ-VIFPVBQESA-N 1 1 322.387 -1.918 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001378069475 921908228 /nfs/dbraw/zinc/90/82/28/921908228.db2.gz HZLKFENVYRPWHP-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001378069475 921908237 /nfs/dbraw/zinc/90/82/37/921908237.db2.gz HZLKFENVYRPWHP-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378061443 921909232 /nfs/dbraw/zinc/90/92/32/921909232.db2.gz DCQVXLTYCFPVJS-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001378057016 921909729 /nfs/dbraw/zinc/90/97/29/921909729.db2.gz WVUGZHNYQWTIEJ-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)COC ZINC001378054752 921909859 /nfs/dbraw/zinc/90/98/59/921909859.db2.gz OXXOCWACHUSUSP-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001378054752 921909869 /nfs/dbraw/zinc/90/98/69/921909869.db2.gz OXXOCWACHUSUSP-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001378089367 921911538 /nfs/dbraw/zinc/91/15/38/921911538.db2.gz SKYXANCPJDWOKE-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001378089367 921911559 /nfs/dbraw/zinc/91/15/59/921911559.db2.gz SKYXANCPJDWOKE-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001378090157 921911616 /nfs/dbraw/zinc/91/16/16/921911616.db2.gz TZPJRGXGNVELLE-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)c1C ZINC001378097882 921911978 /nfs/dbraw/zinc/91/19/78/921911978.db2.gz FXQXBSJFEDOBIH-QMMMGPOBSA-N 1 1 309.370 -1.067 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)c1C ZINC001378097882 921911987 /nfs/dbraw/zinc/91/19/87/921911987.db2.gz FXQXBSJFEDOBIH-QMMMGPOBSA-N 1 1 309.370 -1.067 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)N(C)C ZINC001378083642 921912407 /nfs/dbraw/zinc/91/24/07/921912407.db2.gz KUSKVHUZMVNXKT-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)N(C)C ZINC001378083642 921912417 /nfs/dbraw/zinc/91/24/17/921912417.db2.gz KUSKVHUZMVNXKT-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCCF ZINC001378095010 921912697 /nfs/dbraw/zinc/91/26/97/921912697.db2.gz DEWXPSJHSZEBHG-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCCF ZINC001378095010 921912712 /nfs/dbraw/zinc/91/27/12/921912712.db2.gz DEWXPSJHSZEBHG-ZJUUUORDSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@H](CNC(=O)c1cnc2c(c1)nnn2C)[N@H+](C)CC(N)=O ZINC001378098908 921913022 /nfs/dbraw/zinc/91/30/22/921913022.db2.gz KGOMHYZCRIZIKI-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@H](CNC(=O)c1cnc2c(c1)nnn2C)[N@@H+](C)CC(N)=O ZINC001378098908 921913031 /nfs/dbraw/zinc/91/30/31/921913031.db2.gz KGOMHYZCRIZIKI-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001378082691 921913378 /nfs/dbraw/zinc/91/33/78/921913378.db2.gz KRJBSXOXYVVZLV-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2c(c1)nnn2C)[N@H+](C)CC(N)=O ZINC001378098910 921914558 /nfs/dbraw/zinc/91/45/58/921914558.db2.gz KGOMHYZCRIZIKI-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2c(c1)nnn2C)[N@@H+](C)CC(N)=O ZINC001378098910 921914569 /nfs/dbraw/zinc/91/45/69/921914569.db2.gz KGOMHYZCRIZIKI-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001378077893 921914684 /nfs/dbraw/zinc/91/46/84/921914684.db2.gz BKDHWOFWQDNQMI-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001378077893 921914694 /nfs/dbraw/zinc/91/46/94/921914694.db2.gz BKDHWOFWQDNQMI-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001378115667 921915843 /nfs/dbraw/zinc/91/58/43/921915843.db2.gz SOMBHGSTBLSISL-MXWKQRLJSA-N 1 1 300.359 -1.792 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001378111242 921917429 /nfs/dbraw/zinc/91/74/29/921917429.db2.gz UMVXUMUHXDPHHT-GFCCVEGCSA-N 1 1 300.403 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001378116547 921919629 /nfs/dbraw/zinc/91/96/29/921919629.db2.gz NADYBCUDZAEEOS-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378123648 921920368 /nfs/dbraw/zinc/92/03/68/921920368.db2.gz IQVHUZVHISRJEE-HTQZYQBOSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378123648 921920386 /nfs/dbraw/zinc/92/03/86/921920386.db2.gz IQVHUZVHISRJEE-HTQZYQBOSA-N 1 1 314.346 -2.440 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001378124068 921920741 /nfs/dbraw/zinc/92/07/41/921920741.db2.gz YOPPASPLPVQCHP-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001378130442 921920773 /nfs/dbraw/zinc/92/07/73/921920773.db2.gz MSLMMLYCBZDCQA-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001378130442 921920788 /nfs/dbraw/zinc/92/07/88/921920788.db2.gz MSLMMLYCBZDCQA-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001378141570 921922117 /nfs/dbraw/zinc/92/21/17/921922117.db2.gz AIGUQDQAQNNADC-NEPJUHHUSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001378141570 921922130 /nfs/dbraw/zinc/92/21/30/921922130.db2.gz AIGUQDQAQNNADC-NEPJUHHUSA-N 1 1 320.411 -1.429 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001378140423 921922179 /nfs/dbraw/zinc/92/21/79/921922179.db2.gz BTWVCSDIXJUCMY-MNOVXSKESA-N 1 1 314.386 -1.502 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001378140423 921922192 /nfs/dbraw/zinc/92/21/92/921922192.db2.gz BTWVCSDIXJUCMY-MNOVXSKESA-N 1 1 314.386 -1.502 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+](C)CCCO ZINC001378154432 921922538 /nfs/dbraw/zinc/92/25/38/921922538.db2.gz MDDNSASLLPTEPC-JTQLQIEISA-N 1 1 312.370 -1.484 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001378138721 921922561 /nfs/dbraw/zinc/92/25/61/921922561.db2.gz FDQXZFGDBKOFHC-GHMZBOCLSA-N 1 1 303.359 -1.118 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001378136291 921922618 /nfs/dbraw/zinc/92/26/18/921922618.db2.gz PVAGXBKZJFUVRT-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001378136291 921922624 /nfs/dbraw/zinc/92/26/24/921922624.db2.gz PVAGXBKZJFUVRT-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001378152276 921922858 /nfs/dbraw/zinc/92/28/58/921922858.db2.gz ZPVZFDTYAXRBNU-BBBLOLIVSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001378152276 921922866 /nfs/dbraw/zinc/92/28/66/921922866.db2.gz ZPVZFDTYAXRBNU-BBBLOLIVSA-N 1 1 320.415 -1.907 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001378155355 921922894 /nfs/dbraw/zinc/92/28/94/921922894.db2.gz ROLSIXOHVLPLBA-HBNTYKKESA-N 1 1 302.375 -1.417 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001378140433 921922950 /nfs/dbraw/zinc/92/29/50/921922950.db2.gz BTWVCSDIXJUCMY-WDEREUQCSA-N 1 1 314.386 -1.502 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001378140433 921922960 /nfs/dbraw/zinc/92/29/60/921922960.db2.gz BTWVCSDIXJUCMY-WDEREUQCSA-N 1 1 314.386 -1.502 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001378141577 921923371 /nfs/dbraw/zinc/92/33/71/921923371.db2.gz AIGUQDQAQNNADC-RYUDHWBXSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001378141577 921923387 /nfs/dbraw/zinc/92/33/87/921923387.db2.gz AIGUQDQAQNNADC-RYUDHWBXSA-N 1 1 320.411 -1.429 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001378155930 921924411 /nfs/dbraw/zinc/92/44/11/921924411.db2.gz OXMDANWHOWRUAI-VHSXEESVSA-N 1 1 312.370 -1.485 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001378138766 921924521 /nfs/dbraw/zinc/92/45/21/921924521.db2.gz FDQXZFGDBKOFHC-WDEREUQCSA-N 1 1 303.359 -1.118 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1cncn1C ZINC001378180927 921925524 /nfs/dbraw/zinc/92/55/24/921925524.db2.gz FAQHBWRXZOXDSA-VHSXEESVSA-N 1 1 324.385 -1.018 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001378163718 921925576 /nfs/dbraw/zinc/92/55/76/921925576.db2.gz VFOROTABENFCAH-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001378163718 921925581 /nfs/dbraw/zinc/92/55/81/921925581.db2.gz VFOROTABENFCAH-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNC(=O)CN1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001378182809 921926812 /nfs/dbraw/zinc/92/68/12/921926812.db2.gz NEFRBCCBAQKTCQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378171320 921927326 /nfs/dbraw/zinc/92/73/26/921927326.db2.gz RNDMCUZCZGDMBG-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)cn1 ZINC001378190818 921928393 /nfs/dbraw/zinc/92/83/93/921928393.db2.gz QSWJMUDDXOUMBH-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)cn1 ZINC001378190818 921928409 /nfs/dbraw/zinc/92/84/09/921928409.db2.gz QSWJMUDDXOUMBH-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001378179901 921928528 /nfs/dbraw/zinc/92/85/28/921928528.db2.gz KNQTZAWWZYYXNA-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378191627 921928684 /nfs/dbraw/zinc/92/86/84/921928684.db2.gz UFBIDVQTCVGMTB-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378191627 921928695 /nfs/dbraw/zinc/92/86/95/921928695.db2.gz UFBIDVQTCVGMTB-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001378200645 921930586 /nfs/dbraw/zinc/93/05/86/921930586.db2.gz QITSYRLRNAMDQM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001378200645 921930597 /nfs/dbraw/zinc/93/05/97/921930597.db2.gz QITSYRLRNAMDQM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001378219648 921931725 /nfs/dbraw/zinc/93/17/25/921931725.db2.gz RNESFJHZIAAGFQ-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378212931 921931836 /nfs/dbraw/zinc/93/18/36/921931836.db2.gz XKPUEMZJNOZKNX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378212931 921931848 /nfs/dbraw/zinc/93/18/48/921931848.db2.gz XKPUEMZJNOZKNX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378211602 921931873 /nfs/dbraw/zinc/93/18/73/921931873.db2.gz SCEJZCXHBQBQIN-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378211602 921931880 /nfs/dbraw/zinc/93/18/80/921931880.db2.gz SCEJZCXHBQBQIN-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378211604 921931917 /nfs/dbraw/zinc/93/19/17/921931917.db2.gz SCEJZCXHBQBQIN-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378211604 921931930 /nfs/dbraw/zinc/93/19/30/921931930.db2.gz SCEJZCXHBQBQIN-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228618 921935098 /nfs/dbraw/zinc/93/50/98/921935098.db2.gz FZIWUQMVRZRVBS-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228622 921935483 /nfs/dbraw/zinc/93/54/83/921935483.db2.gz FZIWUQMVRZRVBS-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001378224141 921936173 /nfs/dbraw/zinc/93/61/73/921936173.db2.gz CNNFAQQKVXWSMT-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001378224141 921936181 /nfs/dbraw/zinc/93/61/81/921936181.db2.gz CNNFAQQKVXWSMT-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001378266318 921940918 /nfs/dbraw/zinc/94/09/18/921940918.db2.gz FPZJDSSTQJYIDC-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001378286896 921943045 /nfs/dbraw/zinc/94/30/45/921943045.db2.gz GUUVDHIHEUWTHS-WPRPVWTQSA-N 1 1 323.357 -1.602 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1COC(=O)N1 ZINC001378277199 921944120 /nfs/dbraw/zinc/94/41/20/921944120.db2.gz BMGAJWVTEPSYHF-QWRGUYRKSA-N 1 1 313.354 -1.316 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001378293747 921947480 /nfs/dbraw/zinc/94/74/80/921947480.db2.gz LFFGERUSHVIEIL-LBPRGKRZSA-N 1 1 312.414 -1.101 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001378312789 921950231 /nfs/dbraw/zinc/95/02/31/921950231.db2.gz FBNRIGCOWSKMFP-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001378312787 921951427 /nfs/dbraw/zinc/95/14/27/921951427.db2.gz FBNRIGCOWSKMFP-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1(CCO)CN(CCCO)C1 ZINC001378333890 921953805 /nfs/dbraw/zinc/95/38/05/921953805.db2.gz CXMIIFDVRZLOJC-UHFFFAOYSA-N 1 1 315.414 -1.356 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001378346347 921957103 /nfs/dbraw/zinc/95/71/03/921957103.db2.gz WEJASJMMXFYAMC-VIFPVBQESA-N 1 1 322.373 -1.455 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001378346344 921957712 /nfs/dbraw/zinc/95/77/12/921957712.db2.gz WEJASJMMXFYAMC-SECBINFHSA-N 1 1 322.373 -1.455 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001378356048 921960465 /nfs/dbraw/zinc/96/04/65/921960465.db2.gz NOTJMTWZQBUVAM-RYUDHWBXSA-N 1 1 310.398 -1.620 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001378398069 921962843 /nfs/dbraw/zinc/96/28/43/921962843.db2.gz XNZHNZXMNDEELU-YGRLFVJLSA-N 1 1 321.385 -1.137 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC001378376481 921963891 /nfs/dbraw/zinc/96/38/91/921963891.db2.gz HQOMTRPPMSPGBC-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001378438247 921965887 /nfs/dbraw/zinc/96/58/87/921965887.db2.gz XNZHNZXMNDEELU-HZMBPMFUSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001378465379 921966650 /nfs/dbraw/zinc/96/66/50/921966650.db2.gz NPFBVRYTNLKGLS-LLVKDONJSA-N 1 1 309.374 -1.091 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001378465379 921966664 /nfs/dbraw/zinc/96/66/64/921966664.db2.gz NPFBVRYTNLKGLS-LLVKDONJSA-N 1 1 309.374 -1.091 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)c1nnn(C)n1 ZINC001378469493 921966729 /nfs/dbraw/zinc/96/67/29/921966729.db2.gz ODEAAMWGRUYGHV-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378502393 921968860 /nfs/dbraw/zinc/96/88/60/921968860.db2.gz XSAFKSOMYMQCCN-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001378509885 921971895 /nfs/dbraw/zinc/97/18/95/921971895.db2.gz SGJAEZVXFKYWOY-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CCCCC[N@H+]2CCO)c1=O ZINC001378539025 921974074 /nfs/dbraw/zinc/97/40/74/921974074.db2.gz XYGNVABDQIIHCH-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378569721 921979551 /nfs/dbraw/zinc/97/95/51/921979551.db2.gz LTTKBBBGQOHJMC-VHSXEESVSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@H](NC(=O)Cn1cncn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001378588015 921981369 /nfs/dbraw/zinc/98/13/69/921981369.db2.gz IOJOPIAYGBQJKT-JQWIXIFHSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001378588026 921981807 /nfs/dbraw/zinc/98/18/07/921981807.db2.gz IOJOPIAYGBQJKT-PWSUYJOCSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649018 921986653 /nfs/dbraw/zinc/98/66/53/921986653.db2.gz PZIANKQPFNWKOL-GHMZBOCLSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649018 921986633 /nfs/dbraw/zinc/98/66/33/921986633.db2.gz PZIANKQPFNWKOL-GHMZBOCLSA-N 1 1 310.402 -1.098 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC001378654133 921987313 /nfs/dbraw/zinc/98/73/13/921987313.db2.gz PVUWZVKUVVGXMR-LLVKDONJSA-N 1 1 322.369 -1.396 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649026 921989017 /nfs/dbraw/zinc/98/90/17/921989017.db2.gz PZIANKQPFNWKOL-MNOVXSKESA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649026 921989021 /nfs/dbraw/zinc/98/90/21/921989021.db2.gz PZIANKQPFNWKOL-MNOVXSKESA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664850 921989775 /nfs/dbraw/zinc/98/97/75/921989775.db2.gz PTPIJGMUVAGKJM-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664850 921989792 /nfs/dbraw/zinc/98/97/92/921989792.db2.gz PTPIJGMUVAGKJM-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)nn1 ZINC001378669840 921991080 /nfs/dbraw/zinc/99/10/80/921991080.db2.gz VEUGOVPNOHPKFY-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)nn1 ZINC001378669840 921991085 /nfs/dbraw/zinc/99/10/85/921991085.db2.gz VEUGOVPNOHPKFY-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001378660053 921992107 /nfs/dbraw/zinc/99/21/07/921992107.db2.gz UZBWXHFMMGJHKA-UWVGGRQHSA-N 1 1 324.403 -2.762 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001378660053 921992120 /nfs/dbraw/zinc/99/21/20/921992120.db2.gz UZBWXHFMMGJHKA-UWVGGRQHSA-N 1 1 324.403 -2.762 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378676533 921995069 /nfs/dbraw/zinc/99/50/69/921995069.db2.gz UETVXTCCDVVOHJ-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001378695489 921997545 /nfs/dbraw/zinc/99/75/45/921997545.db2.gz AMNRMIVGUBTMJX-YFKTTZPYSA-N 1 1 323.397 -1.512 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001378697821 921997676 /nfs/dbraw/zinc/99/76/76/921997676.db2.gz JFDLWFZPANHXGJ-OWUUHHOZSA-N 1 1 320.353 -1.227 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001378691400 921998294 /nfs/dbraw/zinc/99/82/94/921998294.db2.gz WRKKRKDDNOSFAH-XYYAHUGASA-N 1 1 322.409 -1.009 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001378717226 922000078 /nfs/dbraw/zinc/00/00/78/922000078.db2.gz DLBKPRXBXHUEBN-CNDDSTCGSA-N 1 1 319.427 -1.269 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)N(C)C(=O)Cn1cnnn1 ZINC001378727960 922000405 /nfs/dbraw/zinc/00/04/05/922000405.db2.gz CNLVRBNWYUWDJS-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001378726344 922001221 /nfs/dbraw/zinc/00/12/21/922001221.db2.gz GZJJZECRTANMCH-RTCCRHLQSA-N 1 1 307.358 -1.897 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)N(C)C(=O)Cn1cnnn1 ZINC001378727965 922001325 /nfs/dbraw/zinc/00/13/25/922001325.db2.gz CNLVRBNWYUWDJS-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cnnn2)nn1 ZINC001378734564 922001513 /nfs/dbraw/zinc/00/15/13/922001513.db2.gz NZKDWGPQCKTFCA-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nncn2C)C1 ZINC001378759512 922002126 /nfs/dbraw/zinc/00/21/26/922002126.db2.gz JBLIASDTGVPHCX-JQWIXIFHSA-N 1 1 324.385 -1.343 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nncn2C)C1 ZINC001378759524 922002284 /nfs/dbraw/zinc/00/22/84/922002284.db2.gz JBLIASDTGVPHCX-PWSUYJOCSA-N 1 1 324.385 -1.343 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nncn2C)C1 ZINC001378759500 922003762 /nfs/dbraw/zinc/00/37/62/922003762.db2.gz JBLIASDTGVPHCX-CMPLNLGQSA-N 1 1 324.385 -1.343 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001378782996 922005794 /nfs/dbraw/zinc/00/57/94/922005794.db2.gz LLFDNAGGISULSC-QJPTWQEYSA-N 1 1 321.385 -1.235 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001378837534 922012930 /nfs/dbraw/zinc/01/29/30/922012930.db2.gz VIBYIVVWEKHECZ-GARJFASQSA-N 1 1 324.385 -1.216 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001378904244 922015351 /nfs/dbraw/zinc/01/53/51/922015351.db2.gz WOEIJXLEJLKKJW-UHFFFAOYSA-N 1 1 309.330 -1.464 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001378903195 922015667 /nfs/dbraw/zinc/01/56/67/922015667.db2.gz NFIWBDVGJFCWQM-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001378914935 922018691 /nfs/dbraw/zinc/01/86/91/922018691.db2.gz VBJQJZRQWCHIIX-NXEZZACHSA-N 1 1 324.389 -1.534 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001378915093 922019574 /nfs/dbraw/zinc/01/95/74/922019574.db2.gz PDVOZWYZBLXLEG-MRVPVSSYSA-N 1 1 323.357 -1.076 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)Cn1cnnn1 ZINC001379010323 922022772 /nfs/dbraw/zinc/02/27/72/922022772.db2.gz FBDXYZQPZRDPLV-GFCCVEGCSA-N 1 1 322.373 -1.679 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001379011378 922023683 /nfs/dbraw/zinc/02/36/83/922023683.db2.gz MIKPAUSUQMYWLW-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001379011378 922023697 /nfs/dbraw/zinc/02/36/97/922023697.db2.gz MIKPAUSUQMYWLW-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379022361 922025044 /nfs/dbraw/zinc/02/50/44/922025044.db2.gz HBWUUYBQCURUKI-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccnn1C ZINC001379029905 922026330 /nfs/dbraw/zinc/02/63/30/922026330.db2.gz VBYSPBFEVSYCHB-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccnn1C ZINC001379029905 922026340 /nfs/dbraw/zinc/02/63/40/922026340.db2.gz VBYSPBFEVSYCHB-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001379037198 922026896 /nfs/dbraw/zinc/02/68/96/922026896.db2.gz VVJJCTSAIGXABT-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001379013350 922027517 /nfs/dbraw/zinc/02/75/17/922027517.db2.gz NGBWFBRZRORUOG-NSHDSACASA-N 1 1 319.373 -1.021 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001379044835 922027630 /nfs/dbraw/zinc/02/76/30/922027630.db2.gz KUYSHHPFVBCUCT-NSHDSACASA-N 1 1 308.400 -1.572 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001379044835 922027640 /nfs/dbraw/zinc/02/76/40/922027640.db2.gz KUYSHHPFVBCUCT-NSHDSACASA-N 1 1 308.400 -1.572 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001379060072 922028600 /nfs/dbraw/zinc/02/86/00/922028600.db2.gz BLONTUGHFAJPEG-LLVKDONJSA-N 1 1 312.370 -1.209 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001379072449 922029983 /nfs/dbraw/zinc/02/99/83/922029983.db2.gz BYSZJGGEBYERHQ-SNVBAGLBSA-N 1 1 311.386 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001379072594 922030368 /nfs/dbraw/zinc/03/03/68/922030368.db2.gz CHYLGBQUYLQQPC-JTQLQIEISA-N 1 1 320.353 -1.362 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077645 922031038 /nfs/dbraw/zinc/03/10/38/922031038.db2.gz KUXXLEGNGBLQNV-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077645 922031044 /nfs/dbraw/zinc/03/10/44/922031044.db2.gz KUXXLEGNGBLQNV-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001379072448 922031218 /nfs/dbraw/zinc/03/12/18/922031218.db2.gz BYSZJGGEBYERHQ-JTQLQIEISA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379085831 922032348 /nfs/dbraw/zinc/03/23/48/922032348.db2.gz TUKXKBMQBFFSNP-MNOVXSKESA-N 1 1 302.375 -1.593 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001379082583 922034485 /nfs/dbraw/zinc/03/44/85/922034485.db2.gz IXKLJZAPTCGHML-DTWKUNHWSA-N 1 1 313.358 -1.917 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001379082583 922034495 /nfs/dbraw/zinc/03/44/95/922034495.db2.gz IXKLJZAPTCGHML-DTWKUNHWSA-N 1 1 313.358 -1.917 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379092399 922034813 /nfs/dbraw/zinc/03/48/13/922034813.db2.gz JXTFLWACNMNJPL-KXUCPTDWSA-N 1 1 300.359 -1.717 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379092399 922034829 /nfs/dbraw/zinc/03/48/29/922034829.db2.gz JXTFLWACNMNJPL-KXUCPTDWSA-N 1 1 300.359 -1.717 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001379085397 922035289 /nfs/dbraw/zinc/03/52/89/922035289.db2.gz QQCYMZUJHCQTNF-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001379135639 922036387 /nfs/dbraw/zinc/03/63/87/922036387.db2.gz BIMWQQJLHXQYCU-NSHDSACASA-N 1 1 324.385 -1.196 20 0 DAADMO C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1nnnn1C ZINC001379119351 922036561 /nfs/dbraw/zinc/03/65/61/922036561.db2.gz LDPQOLNOFJSEEN-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1nnnn1C ZINC001379119357 922036858 /nfs/dbraw/zinc/03/68/58/922036858.db2.gz LDPQOLNOFJSEEN-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]n1)c1nncn1C ZINC001379162984 922044646 /nfs/dbraw/zinc/04/46/46/922044646.db2.gz LBKIEVCIUJCNLO-IUCAKERBSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379165607 922045219 /nfs/dbraw/zinc/04/52/19/922045219.db2.gz DEWCHLIMZLYLCR-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001379170605 922049211 /nfs/dbraw/zinc/04/92/11/922049211.db2.gz MCILUKLBGAFINP-UWVGGRQHSA-N 1 1 313.358 -1.590 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001379167825 922049784 /nfs/dbraw/zinc/04/97/84/922049784.db2.gz QRMTXBDEHILLDW-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)o1 ZINC001379180792 922052140 /nfs/dbraw/zinc/05/21/40/922052140.db2.gz YHXDRUMEMWCUKI-VIFPVBQESA-N 1 1 300.315 -1.094 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001379174505 922052260 /nfs/dbraw/zinc/05/22/60/922052260.db2.gz QOHJORHGDJBSFE-VIFPVBQESA-N 1 1 305.356 -1.406 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)o1 ZINC001379180721 922053799 /nfs/dbraw/zinc/05/37/99/922053799.db2.gz YHXDRUMEMWCUKI-SECBINFHSA-N 1 1 300.315 -1.094 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379180940 922053876 /nfs/dbraw/zinc/05/38/76/922053876.db2.gz ZHCHZERSMPPKDY-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1nnc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001379182540 922054495 /nfs/dbraw/zinc/05/44/95/922054495.db2.gz ORCULMGMBBJPNI-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001379182540 922054509 /nfs/dbraw/zinc/05/45/09/922054509.db2.gz ORCULMGMBBJPNI-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001379184834 922055757 /nfs/dbraw/zinc/05/57/57/922055757.db2.gz DXZIJPKJDNUIPD-GHMZBOCLSA-N 1 1 312.374 -1.264 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379190715 922055955 /nfs/dbraw/zinc/05/59/55/922055955.db2.gz RIWOSOJMVDJELZ-NXEZZACHSA-N 1 1 312.374 -1.531 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1N)c1nncn1C ZINC001379191036 922056418 /nfs/dbraw/zinc/05/64/18/922056418.db2.gz BAPJGBQBTDMHQK-IUCAKERBSA-N 1 1 322.373 -1.428 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1N)c1nncn1C ZINC001379191030 922057504 /nfs/dbraw/zinc/05/75/04/922057504.db2.gz BAPJGBQBTDMHQK-BDAKNGLRSA-N 1 1 322.373 -1.428 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379190758 922058097 /nfs/dbraw/zinc/05/80/97/922058097.db2.gz RIWOSOJMVDJELZ-ZJUUUORDSA-N 1 1 312.374 -1.531 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001379195199 922059045 /nfs/dbraw/zinc/05/90/45/922059045.db2.gz GTCWHHFUFAPHQX-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001379197848 922059647 /nfs/dbraw/zinc/05/96/47/922059647.db2.gz YXQMLDRMRVWKPV-MRVPVSSYSA-N 1 1 320.375 -1.940 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnnn1C)c1nncn1C ZINC001379198600 922064057 /nfs/dbraw/zinc/06/40/57/922064057.db2.gz NXLLVRGYPRSLRH-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)o1 ZINC001379201323 922064336 /nfs/dbraw/zinc/06/43/36/922064336.db2.gz VSQWJNIMWYCXAI-SNVBAGLBSA-N 1 1 309.330 -1.684 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnnn1C)c1nncn1C ZINC001379198597 922064685 /nfs/dbraw/zinc/06/46/85/922064685.db2.gz NXLLVRGYPRSLRH-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001379204545 922068353 /nfs/dbraw/zinc/06/83/53/922068353.db2.gz GBHTVMKUVMWTKU-VIFPVBQESA-N 1 1 319.369 -1.093 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1)c1nncn1C ZINC001379203298 922068572 /nfs/dbraw/zinc/06/85/72/922068572.db2.gz FRVXHWKMBQOLEI-SCZZXKLOSA-N 1 1 321.341 -1.248 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001379206983 922071305 /nfs/dbraw/zinc/07/13/05/922071305.db2.gz LOIQJDUECHFHAS-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)o1 ZINC001379207018 922071379 /nfs/dbraw/zinc/07/13/79/922071379.db2.gz OWEBBMQYIWPVRJ-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379206752 922072451 /nfs/dbraw/zinc/07/24/51/922072451.db2.gz JZEWRTKBZJVERI-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379205960 922072701 /nfs/dbraw/zinc/07/27/01/922072701.db2.gz NGQWNKMMHLDENM-CYBMUJFWSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cc3n(n2)CCO3)n1 ZINC001379207165 922073940 /nfs/dbraw/zinc/07/39/40/922073940.db2.gz RMSPHKNRWOCJMB-SNVBAGLBSA-N 1 1 321.341 -1.716 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cc3n(n2)CCO3)n1 ZINC001379207161 922076111 /nfs/dbraw/zinc/07/61/11/922076111.db2.gz RMSPHKNRWOCJMB-JTQLQIEISA-N 1 1 321.341 -1.716 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001379207649 922076452 /nfs/dbraw/zinc/07/64/52/922076452.db2.gz NMVHUWPIQSNFOU-NXEZZACHSA-N 1 1 312.374 -1.258 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nccs1)C1CS(=O)(=O)C1 ZINC001379209180 922076986 /nfs/dbraw/zinc/07/69/86/922076986.db2.gz PUXBDNGGWRHFLO-SECBINFHSA-N 1 1 319.408 -1.246 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)[C@@H]1CCC(=O)NC1 ZINC001379211872 922078255 /nfs/dbraw/zinc/07/82/55/922078255.db2.gz ZHENXQGKLFWAJF-GHMZBOCLSA-N 1 1 307.354 -1.431 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001379214180 922078365 /nfs/dbraw/zinc/07/83/65/922078365.db2.gz FPUPWLYCQDOSTE-DTWKUNHWSA-N 1 1 311.346 -2.555 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001379214351 922079865 /nfs/dbraw/zinc/07/98/65/922079865.db2.gz WJSJWBXRTFCVCO-SUHUHFCYSA-N 1 1 309.370 -1.099 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379210182 922080223 /nfs/dbraw/zinc/08/02/23/922080223.db2.gz UETRDOOCIAQHFW-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)[nH]1 ZINC001379225678 922081381 /nfs/dbraw/zinc/08/13/81/922081381.db2.gz NRUGMLKWKRUXAI-MNOVXSKESA-N 1 1 324.385 -1.452 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)nc1 ZINC001379229115 922086442 /nfs/dbraw/zinc/08/64/42/922086442.db2.gz OQUXRYBKPSNVII-GHMZBOCLSA-N 1 1 309.370 -1.137 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001379232909 922086682 /nfs/dbraw/zinc/08/66/82/922086682.db2.gz XOEPVTZOYOLYCS-CYBMUJFWSA-N 1 1 321.385 -1.105 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001379228587 922087083 /nfs/dbraw/zinc/08/70/83/922087083.db2.gz IXTDIFHWOJGMES-MRVPVSSYSA-N 1 1 307.314 -2.221 20 0 DAADMO CN1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)=NC1=O ZINC001379238181 922090966 /nfs/dbraw/zinc/09/09/66/922090966.db2.gz CJZFQZOAPLLPKU-SNVBAGLBSA-N 1 1 308.342 -1.260 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379245173 922092256 /nfs/dbraw/zinc/09/22/56/922092256.db2.gz GKUMWRKKNWJYKB-QWRGUYRKSA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379245173 922092272 /nfs/dbraw/zinc/09/22/72/922092272.db2.gz GKUMWRKKNWJYKB-QWRGUYRKSA-N 1 1 310.358 -1.917 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CCC(=O)N1 ZINC001379245677 922092308 /nfs/dbraw/zinc/09/23/08/922092308.db2.gz YNCGFJKAOICISE-PELKAZGASA-N 1 1 313.383 -1.227 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)nn1 ZINC001379240166 922092388 /nfs/dbraw/zinc/09/23/88/922092388.db2.gz YQSYYEZROJWJMF-CMPLNLGQSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)nn1 ZINC001379240183 922093931 /nfs/dbraw/zinc/09/39/31/922093931.db2.gz YQSYYEZROJWJMF-ZYHUDNBSSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)cn1 ZINC001379245789 922094138 /nfs/dbraw/zinc/09/41/38/922094138.db2.gz IARIMCAKZXIASS-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)cn1 ZINC001379245789 922094150 /nfs/dbraw/zinc/09/41/50/922094150.db2.gz IARIMCAKZXIASS-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379245175 922094478 /nfs/dbraw/zinc/09/44/78/922094478.db2.gz GKUMWRKKNWJYKB-WDEREUQCSA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379245175 922094493 /nfs/dbraw/zinc/09/44/93/922094493.db2.gz GKUMWRKKNWJYKB-WDEREUQCSA-N 1 1 310.358 -1.917 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379241533 922095024 /nfs/dbraw/zinc/09/50/24/922095024.db2.gz NOZRUXAWKPEIQC-SECBINFHSA-N 1 1 323.357 -1.382 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001379250722 922097132 /nfs/dbraw/zinc/09/71/32/922097132.db2.gz XCLXUALMBWJZMT-AAEUAGOBSA-N 1 1 323.397 -1.065 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)[nH]1 ZINC001379249721 922097576 /nfs/dbraw/zinc/09/75/76/922097576.db2.gz XPFYLNKASDJVKY-ZJUUUORDSA-N 1 1 310.358 -1.699 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)[nH]1 ZINC001379249719 922098591 /nfs/dbraw/zinc/09/85/91/922098591.db2.gz XPFYLNKASDJVKY-UWVGGRQHSA-N 1 1 310.358 -1.699 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001379252336 922099922 /nfs/dbraw/zinc/09/99/22/922099922.db2.gz WDQWNBMPFCPHCG-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001379252336 922099941 /nfs/dbraw/zinc/09/99/41/922099941.db2.gz WDQWNBMPFCPHCG-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255986 922100536 /nfs/dbraw/zinc/10/05/36/922100536.db2.gz SVLQTUDMCWVMMB-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001379255994 922101457 /nfs/dbraw/zinc/10/14/57/922101457.db2.gz SXEUOYLZJIRNGP-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2ncc[nH]2)nn1 ZINC001379254712 922101977 /nfs/dbraw/zinc/10/19/77/922101977.db2.gz FDWYHCIGXBWZEN-LLVKDONJSA-N 1 1 307.358 -1.170 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001379260116 922105189 /nfs/dbraw/zinc/10/51/89/922105189.db2.gz MSSKIBREQRPSRU-SNVBAGLBSA-N 1 1 313.358 -1.141 20 0 DAADMO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CCS(C)(=O)=O ZINC001379265996 922107488 /nfs/dbraw/zinc/10/74/88/922107488.db2.gz OXNMIBWPVMKKHC-SECBINFHSA-N 1 1 303.388 -1.172 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccncn1 ZINC001379266813 922107812 /nfs/dbraw/zinc/10/78/12/922107812.db2.gz VPRAVXQLNLGVGL-JTQLQIEISA-N 1 1 318.341 -1.322 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001379265514 922109026 /nfs/dbraw/zinc/10/90/26/922109026.db2.gz TYRUFKRYXYQIDN-VIFPVBQESA-N 1 1 312.374 -1.353 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001379265514 922109038 /nfs/dbraw/zinc/10/90/38/922109038.db2.gz TYRUFKRYXYQIDN-VIFPVBQESA-N 1 1 312.374 -1.353 20 0 DAADMO COc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)cnn1C ZINC001379273433 922109233 /nfs/dbraw/zinc/10/92/33/922109233.db2.gz GMJXVOWOVABXNM-SECBINFHSA-N 1 1 323.357 -1.264 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001379280326 922111400 /nfs/dbraw/zinc/11/14/00/922111400.db2.gz CMSILEGBASKRRL-QWRGUYRKSA-N 1 1 302.375 -2.493 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)c1cnn(C)c1 ZINC001379281352 922112600 /nfs/dbraw/zinc/11/26/00/922112600.db2.gz CHXZMQXGUIKVGA-ZWNOBZJWSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)c1cnn(C)c1 ZINC001379281349 922113161 /nfs/dbraw/zinc/11/31/61/922113161.db2.gz CHXZMQXGUIKVGA-MFKMUULPSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001379283820 922114941 /nfs/dbraw/zinc/11/49/41/922114941.db2.gz GBRORUONMLIRBQ-MWLCHTKSSA-N 1 1 322.373 -1.686 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001379286196 922115776 /nfs/dbraw/zinc/11/57/76/922115776.db2.gz JVYOCKDXNWRLST-LLVKDONJSA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001379290042 922116670 /nfs/dbraw/zinc/11/66/70/922116670.db2.gz PDOJITRQCWUYDB-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001379321240 922123165 /nfs/dbraw/zinc/12/31/65/922123165.db2.gz YEQISLZOKAUYRO-LLVKDONJSA-N 1 1 323.397 -1.049 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001379352676 922130062 /nfs/dbraw/zinc/13/00/62/922130062.db2.gz FWWSQIDYAWLYJR-SNVBAGLBSA-N 1 1 309.330 -1.510 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1 ZINC001379346695 922130382 /nfs/dbraw/zinc/13/03/82/922130382.db2.gz CJGWXQHGQCHXFY-ZDUSSCGKSA-N 1 1 322.365 -1.172 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2ncnn2C)nn1 ZINC001379352832 922130485 /nfs/dbraw/zinc/13/04/85/922130485.db2.gz DUAZDDOVVJASKG-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)cn1 ZINC001379366298 922136312 /nfs/dbraw/zinc/13/63/12/922136312.db2.gz IQXVNWDLIAZHRB-AAEUAGOBSA-N 1 1 321.381 -1.122 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001379365302 922136889 /nfs/dbraw/zinc/13/68/89/922136889.db2.gz RMIFWTWJMHYYBG-SECBINFHSA-N 1 1 300.315 -1.094 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379364673 922136934 /nfs/dbraw/zinc/13/69/34/922136934.db2.gz DPWCLBQKQCQIOK-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001379366971 922137097 /nfs/dbraw/zinc/13/70/97/922137097.db2.gz XNPWXNUWZCKXAR-MWLCHTKSSA-N 1 1 312.374 -1.611 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)cn1 ZINC001379366309 922137125 /nfs/dbraw/zinc/13/71/25/922137125.db2.gz IQXVNWDLIAZHRB-WCQYABFASA-N 1 1 321.381 -1.122 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001379363631 922137354 /nfs/dbraw/zinc/13/73/54/922137354.db2.gz RLGUEHXRSPXXQM-IONNQARKSA-N 1 1 301.372 -1.371 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCc1nnnn1C1CC1 ZINC001379371131 922140937 /nfs/dbraw/zinc/14/09/37/922140937.db2.gz LWQPUYVIEFFKTC-ZYHUDNBSSA-N 1 1 323.401 -1.331 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1CCC(=O)N1 ZINC001379375629 922143746 /nfs/dbraw/zinc/14/37/46/922143746.db2.gz VVGUTCMPRQMCAD-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)CCO2)cn1 ZINC001379378223 922144419 /nfs/dbraw/zinc/14/44/19/922144419.db2.gz YZGKDFFUULZGRR-UONOGXRCSA-N 1 1 323.397 -1.318 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CN1CCOCC1=O ZINC001379381368 922146229 /nfs/dbraw/zinc/14/62/29/922146229.db2.gz AYKKGSBQHPMVCQ-MNOVXSKESA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCOCC1=O ZINC001379381713 922146728 /nfs/dbraw/zinc/14/67/28/922146728.db2.gz JWZFEUAXLZQWQA-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001379390321 922147179 /nfs/dbraw/zinc/14/71/79/922147179.db2.gz MLZGZJYMIMNOHN-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001379390330 922148187 /nfs/dbraw/zinc/14/81/87/922148187.db2.gz MLZGZJYMIMNOHN-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001379393980 922150701 /nfs/dbraw/zinc/15/07/01/922150701.db2.gz GKMUJYFYFBOSBC-SECBINFHSA-N 1 1 313.362 -2.299 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001379391963 922150764 /nfs/dbraw/zinc/15/07/64/922150764.db2.gz BEZULOWJKLQLTP-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCCNC1=O ZINC001379395849 922151303 /nfs/dbraw/zinc/15/13/03/922151303.db2.gz LIAVRNTUYNUMOK-ZJUUUORDSA-N 1 1 324.389 -1.219 20 0 DAADMO COc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)ncn1 ZINC001379396510 922153340 /nfs/dbraw/zinc/15/33/40/922153340.db2.gz LGJGSOWBFKOZPP-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001379401356 922155431 /nfs/dbraw/zinc/15/54/31/922155431.db2.gz WPTKUSXHLHVENS-MJVIPROJSA-N 1 1 309.370 -1.099 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001379407835 922157890 /nfs/dbraw/zinc/15/78/90/922157890.db2.gz OUAFDBOYGKWYLJ-QWRGUYRKSA-N 1 1 309.370 -1.535 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)CN1CCOCC1)c1cnccn1 ZINC001379404334 922158331 /nfs/dbraw/zinc/15/83/31/922158331.db2.gz SUTSJIBVSOPKGN-QWHCGFSZSA-N 1 1 323.397 -1.064 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NCC(=O)NC2CC2)CCC1 ZINC001379407716 922158375 /nfs/dbraw/zinc/15/83/75/922158375.db2.gz CZAFHZPFFUHVDQ-LBPRGKRZSA-N 1 1 312.414 -1.184 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)CN1CCOCC1)c1cnccn1 ZINC001379404338 922158766 /nfs/dbraw/zinc/15/87/66/922158766.db2.gz SUTSJIBVSOPKGN-STQMWFEESA-N 1 1 323.397 -1.064 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1C ZINC001379407705 922159546 /nfs/dbraw/zinc/15/95/46/922159546.db2.gz NSJHHFLQXLZLAR-DGCLKSJQSA-N 1 1 323.397 -1.226 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CN1CCOCC1)c1cnccn1 ZINC001379404328 922159581 /nfs/dbraw/zinc/15/95/81/922159581.db2.gz SUTSJIBVSOPKGN-CHWSQXEVSA-N 1 1 323.397 -1.064 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001379410956 922160770 /nfs/dbraw/zinc/16/07/70/922160770.db2.gz MDOHYFKYXAQDNJ-AAEUAGOBSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410956 922160781 /nfs/dbraw/zinc/16/07/81/922160781.db2.gz MDOHYFKYXAQDNJ-AAEUAGOBSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001379411049 922162789 /nfs/dbraw/zinc/16/27/89/922162789.db2.gz KKRGQCRDLSPFGK-LLVKDONJSA-N 1 1 312.374 -1.776 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379420086 922163753 /nfs/dbraw/zinc/16/37/53/922163753.db2.gz PVSSUJJNMOEHQH-BBBLOLIVSA-N 1 1 312.349 -1.037 20 0 DAADMO C[C@H](CNCC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C ZINC001379417954 922164654 /nfs/dbraw/zinc/16/46/54/922164654.db2.gz JTZMNRRWOJOWRD-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)CNC(=O)NC)n1 ZINC001379414244 922165081 /nfs/dbraw/zinc/16/50/81/922165081.db2.gz RSPXQEITDKWKCZ-LLVKDONJSA-N 1 1 312.374 -1.601 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001379423622 922165913 /nfs/dbraw/zinc/16/59/13/922165913.db2.gz SRWCXSVLNXPPMV-BBBLOLIVSA-N 1 1 309.374 -1.014 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001379425098 922169622 /nfs/dbraw/zinc/16/96/22/922169622.db2.gz DRODGJXHBIAMBT-NWDGAFQWSA-N 1 1 309.370 -1.345 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001379436449 922174221 /nfs/dbraw/zinc/17/42/21/922174221.db2.gz QNYXFLOOWDZDFY-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001379441782 922178752 /nfs/dbraw/zinc/17/87/52/922178752.db2.gz ZYPPJYNIOJDSAE-ZJUUUORDSA-N 1 1 319.383 -1.017 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC(=O)CC2)n1 ZINC001379453067 922181733 /nfs/dbraw/zinc/18/17/33/922181733.db2.gz XTANNJLVAUGLHG-YPMHNXCESA-N 1 1 323.397 -1.097 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001379463364 922184327 /nfs/dbraw/zinc/18/43/27/922184327.db2.gz KUDQKIAYRFCSES-IONNQARKSA-N 1 1 315.399 -1.075 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)c1 ZINC001379462193 922184757 /nfs/dbraw/zinc/18/47/57/922184757.db2.gz JGMAXRJJXCMSFP-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001379471947 922188450 /nfs/dbraw/zinc/18/84/50/922188450.db2.gz XGXNWTAXLLKZRK-LLVKDONJSA-N 1 1 322.373 -1.132 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001379472737 922190992 /nfs/dbraw/zinc/19/09/92/922190992.db2.gz NYIONBMIRWIEOG-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CO)CNC(=O)CCc2c[nH]nn2)cn1 ZINC001379475124 922191092 /nfs/dbraw/zinc/19/10/92/922191092.db2.gz FYNHMHYDXXQTHU-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379475617 922191132 /nfs/dbraw/zinc/19/11/32/922191132.db2.gz IJSMIIHUKQJFQG-MWLCHTKSSA-N 1 1 308.342 -1.967 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001379472739 922192133 /nfs/dbraw/zinc/19/21/33/922192133.db2.gz NYIONBMIRWIEOG-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1csc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379477738 922192927 /nfs/dbraw/zinc/19/29/27/922192927.db2.gz NDMFDMCWJVGKNB-IUCAKERBSA-N 1 1 313.383 -1.300 20 0 DAADMO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379477698 922193634 /nfs/dbraw/zinc/19/36/34/922193634.db2.gz NDMFDMCWJVGKNB-BDAKNGLRSA-N 1 1 313.383 -1.300 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379475566 922193910 /nfs/dbraw/zinc/19/39/10/922193910.db2.gz HZQSGIPXZDPRKH-PSASIEDQSA-N 1 1 311.346 -2.454 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379478056 922195349 /nfs/dbraw/zinc/19/53/49/922195349.db2.gz NPWUENHKZFGSOJ-QWRGUYRKSA-N 1 1 310.358 -1.849 20 0 DAADMO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001379477744 922195372 /nfs/dbraw/zinc/19/53/72/922195372.db2.gz NDMFDMCWJVGKNB-RKDXNWHRSA-N 1 1 313.383 -1.300 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001379478042 922195620 /nfs/dbraw/zinc/19/56/20/922195620.db2.gz NPWUENHKZFGSOJ-GHMZBOCLSA-N 1 1 310.358 -1.849 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379486820 922199853 /nfs/dbraw/zinc/19/98/53/922199853.db2.gz ZNVAFBSMFMFTCY-IUCAKERBSA-N 1 1 324.341 -2.415 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)nn1 ZINC001379496295 922199869 /nfs/dbraw/zinc/19/98/69/922199869.db2.gz JBDUTVJGGBWNBC-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001379496632 922201250 /nfs/dbraw/zinc/20/12/50/922201250.db2.gz HXOCZTGCDBKIME-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001379499498 922202016 /nfs/dbraw/zinc/20/20/16/922202016.db2.gz ZAURHCBIVQIJHK-NSHDSACASA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)c1cc(=O)n(C)cn1 ZINC001379510038 922210219 /nfs/dbraw/zinc/21/02/19/922210219.db2.gz FYYQYCGAZOIURQ-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001379513404 922211348 /nfs/dbraw/zinc/21/13/48/922211348.db2.gz KJJZMVVNTYYCRC-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CS(=O)(=O)C1 ZINC001379516201 922214512 /nfs/dbraw/zinc/21/45/12/922214512.db2.gz YHQNNKAEVOWIDY-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001379528295 922216222 /nfs/dbraw/zinc/21/62/22/922216222.db2.gz PAGIAKQOXGSOON-AAEUAGOBSA-N 1 1 312.414 -1.184 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001379528307 922216527 /nfs/dbraw/zinc/21/65/27/922216527.db2.gz PAGIAKQOXGSOON-WCQYABFASA-N 1 1 312.414 -1.184 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379527540 922217882 /nfs/dbraw/zinc/21/78/82/922217882.db2.gz NPFUBRYUXHYKBF-STQMWFEESA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379527540 922217897 /nfs/dbraw/zinc/21/78/97/922217897.db2.gz NPFUBRYUXHYKBF-STQMWFEESA-N 1 1 314.430 -1.223 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001379534086 922220672 /nfs/dbraw/zinc/22/06/72/922220672.db2.gz WWNXAEHGCJHYEX-VIFPVBQESA-N 1 1 309.374 -1.861 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001379528313 922220982 /nfs/dbraw/zinc/22/09/82/922220982.db2.gz PAGIAKQOXGSOON-YPMHNXCESA-N 1 1 312.414 -1.184 20 0 DAADMO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001379530389 922221642 /nfs/dbraw/zinc/22/16/42/922221642.db2.gz YLGQLHRGQKYIKX-GHMZBOCLSA-N 1 1 323.353 -1.355 20 0 DAADMO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001379530402 922222163 /nfs/dbraw/zinc/22/21/63/922222163.db2.gz YLGQLHRGQKYIKX-QWRGUYRKSA-N 1 1 323.353 -1.355 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001379540112 922224981 /nfs/dbraw/zinc/22/49/81/922224981.db2.gz DTHZVKXTCGVVLM-MWLCHTKSSA-N 1 1 309.374 -1.233 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001379540111 922226460 /nfs/dbraw/zinc/22/64/60/922226460.db2.gz DTHZVKXTCGVVLM-KOLCDFICSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCC(=O)NC1=O ZINC001379582943 922230219 /nfs/dbraw/zinc/23/02/19/922230219.db2.gz XMRPAIYDQOTTIC-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C[C@@H]1C ZINC001379594907 922232237 /nfs/dbraw/zinc/23/22/37/922232237.db2.gz ZXYJLSOOHYMWTE-DTWKUNHWSA-N 1 1 317.371 -1.302 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001379613336 922233002 /nfs/dbraw/zinc/23/30/02/922233002.db2.gz DOZOUXTUOMRBNM-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001379613336 922233014 /nfs/dbraw/zinc/23/30/14/922233014.db2.gz DOZOUXTUOMRBNM-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001379658697 922235031 /nfs/dbraw/zinc/23/50/31/922235031.db2.gz MLFVXFJTCWLGNY-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379658697 922235043 /nfs/dbraw/zinc/23/50/43/922235043.db2.gz MLFVXFJTCWLGNY-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001379664220 922235613 /nfs/dbraw/zinc/23/56/13/922235613.db2.gz PLVUZGXFUVJPLG-GHMZBOCLSA-N 1 1 324.447 -1.458 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001379693996 922238522 /nfs/dbraw/zinc/23/85/22/922238522.db2.gz XVCZDUCTZUETFK-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001379693996 922238537 /nfs/dbraw/zinc/23/85/37/922238537.db2.gz XVCZDUCTZUETFK-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001379705403 922238567 /nfs/dbraw/zinc/23/85/67/922238567.db2.gz UFVOSPAMCDFRMX-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001379705403 922238576 /nfs/dbraw/zinc/23/85/76/922238576.db2.gz UFVOSPAMCDFRMX-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCCC1 ZINC001379692927 922239337 /nfs/dbraw/zinc/23/93/37/922239337.db2.gz URQHLCRUPOZCNN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCCC1 ZINC001379692927 922239349 /nfs/dbraw/zinc/23/93/49/922239349.db2.gz URQHLCRUPOZCNN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1=O ZINC001379681848 922239719 /nfs/dbraw/zinc/23/97/19/922239719.db2.gz RJNDNMIHODPKSM-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1=O ZINC001379681848 922239730 /nfs/dbraw/zinc/23/97/30/922239730.db2.gz RJNDNMIHODPKSM-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CC1(C)CN(C(=O)Cc2ccn[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001379702223 922240783 /nfs/dbraw/zinc/24/07/83/922240783.db2.gz KXPSPPOQXQYOJC-JTQLQIEISA-N 1 1 322.369 -1.026 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cc[nH]n1 ZINC001379742590 922241937 /nfs/dbraw/zinc/24/19/37/922241937.db2.gz KCVKCPWIFZZWOF-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379739231 922242000 /nfs/dbraw/zinc/24/20/00/922242000.db2.gz JUEUQCWACSOFRL-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379739231 922242016 /nfs/dbraw/zinc/24/20/16/922242016.db2.gz JUEUQCWACSOFRL-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)[nH]1 ZINC001379743337 922242673 /nfs/dbraw/zinc/24/26/73/922242673.db2.gz JRDDUJMSLORLNZ-WCBMZHEXSA-N 1 1 323.361 -1.730 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001379737161 922243179 /nfs/dbraw/zinc/24/31/79/922243179.db2.gz BKBSEBQQBVBSMC-QMMMGPOBSA-N 1 1 317.371 -1.197 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)C(=O)C(F)F ZINC001379730838 922243587 /nfs/dbraw/zinc/24/35/87/922243587.db2.gz QLQAIWTZZRSLNQ-MRVPVSSYSA-N 1 1 319.312 -1.018 20 0 DAADMO Cc1ncc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1C ZINC001379729335 922243877 /nfs/dbraw/zinc/24/38/77/922243877.db2.gz ZZCCXIGRMCJBKI-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1C ZINC001379729335 922243891 /nfs/dbraw/zinc/24/38/91/922243891.db2.gz ZZCCXIGRMCJBKI-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)[nH]1 ZINC001379743323 922244157 /nfs/dbraw/zinc/24/41/57/922244157.db2.gz JRDDUJMSLORLNZ-PSASIEDQSA-N 1 1 323.361 -1.730 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001379732239 922244272 /nfs/dbraw/zinc/24/42/72/922244272.db2.gz OIYWAHBTLNENRD-RYUDHWBXSA-N 1 1 316.402 -2.138 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379742556 922245325 /nfs/dbraw/zinc/24/53/25/922245325.db2.gz MGKOAVNDSZSMPY-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379742556 922245339 /nfs/dbraw/zinc/24/53/39/922245339.db2.gz MGKOAVNDSZSMPY-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)co1 ZINC001379756621 922246664 /nfs/dbraw/zinc/24/66/64/922246664.db2.gz AFLUJRLHBQVPCO-LLVKDONJSA-N 1 1 319.383 -1.063 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCNC(=O)C2)[nH]1 ZINC001379765714 922250298 /nfs/dbraw/zinc/25/02/98/922250298.db2.gz OFQOWOLARXVTJN-QWRGUYRKSA-N 1 1 324.385 -1.452 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1ccn[nH]1 ZINC001379763417 922251539 /nfs/dbraw/zinc/25/15/39/922251539.db2.gz VTBMMZWGEREVJD-CYBMUJFWSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001379760166 922251971 /nfs/dbraw/zinc/25/19/71/922251971.db2.gz PFLQVVIJOKCISG-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001379760166 922251985 /nfs/dbraw/zinc/25/19/85/922251985.db2.gz PFLQVVIJOKCISG-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001379761696 922252077 /nfs/dbraw/zinc/25/20/77/922252077.db2.gz RWKJHOIZHVDWCT-QWHCGFSZSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCCN1C ZINC001379761697 922252256 /nfs/dbraw/zinc/25/22/56/922252256.db2.gz RWKJHOIZHVDWCT-STQMWFEESA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)CCc1nc[nH]n1 ZINC001379765904 922253501 /nfs/dbraw/zinc/25/35/01/922253501.db2.gz OLCSWWSFMHRQKU-NSHDSACASA-N 1 1 322.373 -1.525 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761240 922253630 /nfs/dbraw/zinc/25/36/30/922253630.db2.gz QWEFSGWMYVPHSZ-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761240 922253648 /nfs/dbraw/zinc/25/36/48/922253648.db2.gz QWEFSGWMYVPHSZ-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)n1 ZINC001379771040 922254368 /nfs/dbraw/zinc/25/43/68/922254368.db2.gz FZEMPKARXXSBCR-QWRGUYRKSA-N 1 1 324.385 -1.249 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001379769508 922257193 /nfs/dbraw/zinc/25/71/93/922257193.db2.gz UPADUVBNVRFHGO-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785972 922258083 /nfs/dbraw/zinc/25/80/83/922258083.db2.gz SBGHXQFUFLEYBM-PSASIEDQSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785972 922258096 /nfs/dbraw/zinc/25/80/96/922258096.db2.gz SBGHXQFUFLEYBM-PSASIEDQSA-N 1 1 323.353 -1.576 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001379775611 922258197 /nfs/dbraw/zinc/25/81/97/922258197.db2.gz PWQOVOKAMBGVNU-UWVGGRQHSA-N 1 1 313.358 -1.051 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785976 922258282 /nfs/dbraw/zinc/25/82/82/922258282.db2.gz SBGHXQFUFLEYBM-WPRPVWTQSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785976 922258297 /nfs/dbraw/zinc/25/82/97/922258297.db2.gz SBGHXQFUFLEYBM-WPRPVWTQSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001379778145 922258330 /nfs/dbraw/zinc/25/83/30/922258330.db2.gz BESKUAHTNRUDDR-MRVPVSSYSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001379778145 922258346 /nfs/dbraw/zinc/25/83/46/922258346.db2.gz BESKUAHTNRUDDR-MRVPVSSYSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779361 922258392 /nfs/dbraw/zinc/25/83/92/922258392.db2.gz AFGDHCRAYZQGJI-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779361 922258407 /nfs/dbraw/zinc/25/84/07/922258407.db2.gz AFGDHCRAYZQGJI-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)c1cnnn1C ZINC001379776297 922258768 /nfs/dbraw/zinc/25/87/68/922258768.db2.gz GYEPGEBXZSZOFV-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001379776660 922259363 /nfs/dbraw/zinc/25/93/63/922259363.db2.gz GNNOWLFCZFQLES-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001379776660 922259377 /nfs/dbraw/zinc/25/93/77/922259377.db2.gz GNNOWLFCZFQLES-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)[nH]1 ZINC001379781436 922259979 /nfs/dbraw/zinc/25/99/79/922259979.db2.gz RQOMTMIDAPBASH-JTQLQIEISA-N 1 1 322.373 -1.607 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001379786139 922260309 /nfs/dbraw/zinc/26/03/09/922260309.db2.gz CKHJGPJONQNTMI-SECBINFHSA-N 1 1 323.357 -1.225 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379783350 922260339 /nfs/dbraw/zinc/26/03/39/922260339.db2.gz XAXASVQGNGMCJH-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379795189 922263410 /nfs/dbraw/zinc/26/34/10/922263410.db2.gz JMUGXFLGUWIOSW-CMPLNLGQSA-N 1 1 324.385 -1.798 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)o1 ZINC001379796585 922265888 /nfs/dbraw/zinc/26/58/88/922265888.db2.gz YBBKTBVGAZREON-JTQLQIEISA-N 1 1 323.357 -1.167 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cc(F)c[nH]1 ZINC001379813130 922269878 /nfs/dbraw/zinc/26/98/78/922269878.db2.gz QARZBSNDARKCEC-VIFPVBQESA-N 1 1 311.321 -1.100 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001379820810 922274291 /nfs/dbraw/zinc/27/42/91/922274291.db2.gz XRZPAHUGQNNHHD-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001379841649 922275516 /nfs/dbraw/zinc/27/55/16/922275516.db2.gz PYNBFDWOPDBUGS-BDAKNGLRSA-N 1 1 313.358 -1.588 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379828068 922275566 /nfs/dbraw/zinc/27/55/66/922275566.db2.gz ADLKPSXHBLIQPM-QMMMGPOBSA-N 1 1 324.345 -2.128 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379831429 922275621 /nfs/dbraw/zinc/27/56/21/922275621.db2.gz YQIUBKIAKOIUPL-GXSJLCMTSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@@H](O)CNCc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829889 922275700 /nfs/dbraw/zinc/27/57/00/922275700.db2.gz XMLYIJZWFMPAQP-NWDGAFQWSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001379841676 922276165 /nfs/dbraw/zinc/27/61/65/922276165.db2.gz PYNBFDWOPDBUGS-RKDXNWHRSA-N 1 1 313.358 -1.588 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001379834716 922276818 /nfs/dbraw/zinc/27/68/18/922276818.db2.gz MXEINDLZFNCWHW-QWRGUYRKSA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001379834716 922276833 /nfs/dbraw/zinc/27/68/33/922276833.db2.gz MXEINDLZFNCWHW-QWRGUYRKSA-N 1 1 310.358 -1.965 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001379858185 922278738 /nfs/dbraw/zinc/27/87/38/922278738.db2.gz JMRVVCDFJPMMIK-NSHDSACASA-N 1 1 322.373 -1.501 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)CCn1cncn1)C1CC1 ZINC001379844191 922279103 /nfs/dbraw/zinc/27/91/03/922279103.db2.gz IUMXYKJHTVNMCP-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1 ZINC001379855639 922281199 /nfs/dbraw/zinc/28/11/99/922281199.db2.gz CPQCOYXIUKHEKI-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851725 922281419 /nfs/dbraw/zinc/28/14/19/922281419.db2.gz YBTYAKMQLBPGOB-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CCNC(N)=O ZINC001379868299 922282482 /nfs/dbraw/zinc/28/24/82/922282482.db2.gz WADLMCFLSUCSET-JTQLQIEISA-N 1 1 313.362 -2.218 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCNC(N)=O)o1 ZINC001379863832 922283680 /nfs/dbraw/zinc/28/36/80/922283680.db2.gz ROUCWYVQGSWRRA-JTQLQIEISA-N 1 1 313.358 -1.050 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001379883168 922286658 /nfs/dbraw/zinc/28/66/58/922286658.db2.gz GCLJYEHVRNYPOW-GFCCVEGCSA-N 1 1 312.370 -1.645 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001379894826 922287091 /nfs/dbraw/zinc/28/70/91/922287091.db2.gz CNDAYBKOGCJFNB-UWVGGRQHSA-N 1 1 313.362 -2.312 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379873107 922289035 /nfs/dbraw/zinc/28/90/35/922289035.db2.gz VELDJFLPHKANQT-DTWKUNHWSA-N 1 1 304.347 -2.033 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001379912673 922289558 /nfs/dbraw/zinc/28/95/58/922289558.db2.gz CLLQLEIXZIGJMI-ZJUUUORDSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001379912673 922289567 /nfs/dbraw/zinc/28/95/67/922289567.db2.gz CLLQLEIXZIGJMI-ZJUUUORDSA-N 1 1 316.358 -2.066 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379916204 922289963 /nfs/dbraw/zinc/28/99/63/922289963.db2.gz GPWPBYDGMNZWSO-NXEZZACHSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379916204 922289972 /nfs/dbraw/zinc/28/99/72/922289972.db2.gz GPWPBYDGMNZWSO-NXEZZACHSA-N 1 1 312.374 -1.464 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cnnn1C ZINC001379916415 922291116 /nfs/dbraw/zinc/29/11/16/922291116.db2.gz HRTBEJBYQFBTCF-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cnnn1C ZINC001379916415 922291131 /nfs/dbraw/zinc/29/11/31/922291131.db2.gz HRTBEJBYQFBTCF-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905391 922291624 /nfs/dbraw/zinc/29/16/24/922291624.db2.gz DASDGCCMOWGZTJ-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905391 922291635 /nfs/dbraw/zinc/29/16/35/922291635.db2.gz DASDGCCMOWGZTJ-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379915159 922291660 /nfs/dbraw/zinc/29/16/60/922291660.db2.gz RTTXIBLQGQBIFE-RYUDHWBXSA-N 1 1 316.402 -1.520 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379914146 922291912 /nfs/dbraw/zinc/29/19/12/922291912.db2.gz RCIXKEKMRWVXQF-VHSXEESVSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379914146 922291921 /nfs/dbraw/zinc/29/19/21/922291921.db2.gz RCIXKEKMRWVXQF-VHSXEESVSA-N 1 1 318.374 -1.785 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936748 922294840 /nfs/dbraw/zinc/29/48/40/922294840.db2.gz KDKLBYLQMRJSQY-ZYHUDNBSSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936748 922294854 /nfs/dbraw/zinc/29/48/54/922294854.db2.gz KDKLBYLQMRJSQY-ZYHUDNBSSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001379923415 922294943 /nfs/dbraw/zinc/29/49/43/922294943.db2.gz PCBUDBYYCPQKCI-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)COC ZINC001379933880 922295823 /nfs/dbraw/zinc/29/58/23/922295823.db2.gz FXYBWNKCGBCUTM-GHMZBOCLSA-N 1 1 304.391 -1.299 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001379940578 922296970 /nfs/dbraw/zinc/29/69/70/922296970.db2.gz FEQQRLLGCXKOEE-VHSXEESVSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC1=O ZINC001379932376 922297283 /nfs/dbraw/zinc/29/72/83/922297283.db2.gz DLUPOXIRQIZLIW-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC1=O ZINC001379932376 922297302 /nfs/dbraw/zinc/29/73/02/922297302.db2.gz DLUPOXIRQIZLIW-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)COC ZINC001379933887 922297330 /nfs/dbraw/zinc/29/73/30/922297330.db2.gz FXYBWNKCGBCUTM-QWRGUYRKSA-N 1 1 304.391 -1.299 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001379922216 922297944 /nfs/dbraw/zinc/29/79/44/922297944.db2.gz ZSFWLPFKWIEPJB-MNOVXSKESA-N 1 1 312.374 -1.664 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001379922216 922297953 /nfs/dbraw/zinc/29/79/53/922297953.db2.gz ZSFWLPFKWIEPJB-MNOVXSKESA-N 1 1 312.374 -1.664 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001379928524 922298156 /nfs/dbraw/zinc/29/81/56/922298156.db2.gz HBDFOXOVGKJNNM-WDEREUQCSA-N 1 1 315.374 -2.286 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc2ncnn21 ZINC001379933915 922298219 /nfs/dbraw/zinc/29/82/19/922298219.db2.gz HTGLRXLWTGWOEH-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc2ncnn21 ZINC001379933915 922298228 /nfs/dbraw/zinc/29/82/28/922298228.db2.gz HTGLRXLWTGWOEH-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001379956001 922301205 /nfs/dbraw/zinc/30/12/05/922301205.db2.gz BPZUWIWBVJHQPL-AVGNSLFASA-N 1 1 314.430 -1.047 20 0 DAADMO COc1ccnc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001379943215 922301610 /nfs/dbraw/zinc/30/16/10/922301610.db2.gz MMYDCJVQRYGYIS-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ccnc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001379943215 922301623 /nfs/dbraw/zinc/30/16/23/922301623.db2.gz MMYDCJVQRYGYIS-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001379969595 922303367 /nfs/dbraw/zinc/30/33/67/922303367.db2.gz JXGYPRZQPYKXPX-NEPJUHHUSA-N 1 1 314.386 -1.208 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379964171 922303680 /nfs/dbraw/zinc/30/36/80/922303680.db2.gz NYJMAKSDLOVLJL-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c(=O)c1 ZINC001379967916 922303992 /nfs/dbraw/zinc/30/39/92/922303992.db2.gz UMRQALAPAATMMD-ZDUSSCGKSA-N 1 1 311.382 -1.100 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001379963603 922304037 /nfs/dbraw/zinc/30/40/37/922304037.db2.gz OHJXKDXVJWXBGZ-GHMZBOCLSA-N 1 1 321.385 -1.115 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001379963611 922304340 /nfs/dbraw/zinc/30/43/40/922304340.db2.gz OHJXKDXVJWXBGZ-QWRGUYRKSA-N 1 1 321.385 -1.115 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2nncn2c1 ZINC001379963961 922304622 /nfs/dbraw/zinc/30/46/22/922304622.db2.gz NJFFYBCIXQGEFG-LLVKDONJSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2nncn2c1 ZINC001379963961 922304628 /nfs/dbraw/zinc/30/46/28/922304628.db2.gz NJFFYBCIXQGEFG-LLVKDONJSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379967992 922306739 /nfs/dbraw/zinc/30/67/39/922306739.db2.gz POIQSRQJKXKBOE-UPJWGTAASA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379967992 922306752 /nfs/dbraw/zinc/30/67/52/922306752.db2.gz POIQSRQJKXKBOE-UPJWGTAASA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001379969577 922306870 /nfs/dbraw/zinc/30/68/70/922306870.db2.gz OBVXDAIZCXSMCA-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O ZINC001379978392 922308198 /nfs/dbraw/zinc/30/81/98/922308198.db2.gz NSARLSIUWLEFQT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001379975431 922308748 /nfs/dbraw/zinc/30/87/48/922308748.db2.gz UKSDOBFAHDHZHT-GHMZBOCLSA-N 1 1 324.381 -1.074 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@@H](C)C(N)=O ZINC001379972940 922308828 /nfs/dbraw/zinc/30/88/28/922308828.db2.gz PJCOOFDRVRNMPO-RYUDHWBXSA-N 1 1 302.419 -1.049 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001379970504 922309535 /nfs/dbraw/zinc/30/95/35/922309535.db2.gz PUFHXGUJEJPIPS-NEPJUHHUSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001379977508 922310011 /nfs/dbraw/zinc/31/00/11/922310011.db2.gz ZVXACZWLMRPOQC-GHMZBOCLSA-N 1 1 308.400 -1.693 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001379977508 922310030 /nfs/dbraw/zinc/31/00/30/922310030.db2.gz ZVXACZWLMRPOQC-GHMZBOCLSA-N 1 1 308.400 -1.693 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@H](C)C(N)=O ZINC001379972938 922310563 /nfs/dbraw/zinc/31/05/63/922310563.db2.gz PJCOOFDRVRNMPO-NEPJUHHUSA-N 1 1 302.419 -1.049 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001379977511 922310682 /nfs/dbraw/zinc/31/06/82/922310682.db2.gz ZVXACZWLMRPOQC-WDEREUQCSA-N 1 1 308.400 -1.693 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001379977511 922310698 /nfs/dbraw/zinc/31/06/98/922310698.db2.gz ZVXACZWLMRPOQC-WDEREUQCSA-N 1 1 308.400 -1.693 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379974622 922311393 /nfs/dbraw/zinc/31/13/93/922311393.db2.gz RPQCRGXJCPLNMC-RYUDHWBXSA-N 1 1 300.403 -1.565 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001379976669 922312018 /nfs/dbraw/zinc/31/20/18/922312018.db2.gz METDAJONUGRIML-JTQLQIEISA-N 1 1 323.353 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984017 922314079 /nfs/dbraw/zinc/31/40/79/922314079.db2.gz VSIFRFRPXGCETK-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984017 922314095 /nfs/dbraw/zinc/31/40/95/922314095.db2.gz VSIFRFRPXGCETK-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001379985590 922315234 /nfs/dbraw/zinc/31/52/34/922315234.db2.gz XEVQSEJPGLWZBQ-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cc1nnc[nH]1 ZINC001379980068 922315414 /nfs/dbraw/zinc/31/54/14/922315414.db2.gz PWSIMZVDVOKBQB-LBPRGKRZSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCn1cccn1)C(=O)Cc1ncn[nH]1 ZINC001379980068 922315429 /nfs/dbraw/zinc/31/54/29/922315429.db2.gz PWSIMZVDVOKBQB-LBPRGKRZSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cc1ncn[nH]1 ZINC001379980068 922315444 /nfs/dbraw/zinc/31/54/44/922315444.db2.gz PWSIMZVDVOKBQB-LBPRGKRZSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001379981791 922316286 /nfs/dbraw/zinc/31/62/86/922316286.db2.gz SBVNUFLMOXAAGQ-NEPJUHHUSA-N 1 1 316.402 -1.337 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001379985611 922316360 /nfs/dbraw/zinc/31/63/60/922316360.db2.gz XEVQSEJPGLWZBQ-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001380017648 922317283 /nfs/dbraw/zinc/31/72/83/922317283.db2.gz MRAQICJTJDNNHT-GHMZBOCLSA-N 1 1 310.354 -1.075 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001380019524 922319145 /nfs/dbraw/zinc/31/91/45/922319145.db2.gz ZGZIDFVGPRQWKU-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380019735 922320118 /nfs/dbraw/zinc/32/01/18/922320118.db2.gz ZMODNKVZIVAAPC-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001380061884 922322656 /nfs/dbraw/zinc/32/26/56/922322656.db2.gz GLKPXZGPEKSHMZ-JTQLQIEISA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001380061884 922322674 /nfs/dbraw/zinc/32/26/74/922322674.db2.gz GLKPXZGPEKSHMZ-JTQLQIEISA-N 1 1 309.374 -1.721 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCNC1=O ZINC001380114872 922332225 /nfs/dbraw/zinc/33/22/25/922332225.db2.gz XZBKSMDQPXHDKE-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCNC1=O ZINC001380114872 922332238 /nfs/dbraw/zinc/33/22/38/922332238.db2.gz XZBKSMDQPXHDKE-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO COc1nccc(C[NH2+]C2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001380132626 922332730 /nfs/dbraw/zinc/33/27/30/922332730.db2.gz MUBNVTWEXCBKGQ-JTQLQIEISA-N 1 1 320.353 -1.095 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001380208709 922339081 /nfs/dbraw/zinc/33/90/81/922339081.db2.gz YSBPAANQCACWJQ-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO CN(C(=O)CCc1cnc[nH]1)C1CN(CC(=O)NC(N)=O)C1 ZINC001380229101 922340570 /nfs/dbraw/zinc/34/05/70/922340570.db2.gz ROEJFPOYFRAZQS-UHFFFAOYSA-N 1 1 308.342 -1.320 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380254380 922344157 /nfs/dbraw/zinc/34/41/57/922344157.db2.gz CLTCKCHTJIWPBN-UWVGGRQHSA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380254385 922344222 /nfs/dbraw/zinc/34/42/22/922344222.db2.gz CLTCKCHTJIWPBN-VHSXEESVSA-N 1 1 311.386 -1.336 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC001380270754 922346889 /nfs/dbraw/zinc/34/68/89/922346889.db2.gz MOAZVXQSHUHTRM-JTQLQIEISA-N 1 1 308.342 -1.272 20 0 DAADMO Cn1cnnc1COCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001380309147 922348864 /nfs/dbraw/zinc/34/88/64/922348864.db2.gz NVMHGLFUVSIMSI-UHFFFAOYSA-N 1 1 324.385 -1.212 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC3)CC2)C1 ZINC001380335272 922349294 /nfs/dbraw/zinc/34/92/94/922349294.db2.gz BTJGFRXZHSTGBU-GFCCVEGCSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3CC3)CC2)C1 ZINC001380335272 922349312 /nfs/dbraw/zinc/34/93/12/922349312.db2.gz BTJGFRXZHSTGBU-GFCCVEGCSA-N 1 1 323.397 -1.190 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001380310655 922349715 /nfs/dbraw/zinc/34/97/15/922349715.db2.gz CKKYKKDWLZUTEG-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001380305237 922349995 /nfs/dbraw/zinc/34/99/95/922349995.db2.gz MCFYXCJKCDYHIQ-MNOVXSKESA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001380366286 922352364 /nfs/dbraw/zinc/35/23/64/922352364.db2.gz OYMROMAPUCIATJ-CQSZACIVSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001380366286 922352378 /nfs/dbraw/zinc/35/23/78/922352378.db2.gz OYMROMAPUCIATJ-CQSZACIVSA-N 1 1 322.369 -1.012 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380340790 922352985 /nfs/dbraw/zinc/35/29/85/922352985.db2.gz GGRFOBQHGGTALW-OLZOCXBDSA-N 1 1 312.414 -1.291 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001380342588 922353192 /nfs/dbraw/zinc/35/31/92/922353192.db2.gz BTOKKEYRQDEADA-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001380342588 922353207 /nfs/dbraw/zinc/35/32/07/922353207.db2.gz BTOKKEYRQDEADA-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001380337460 922353231 /nfs/dbraw/zinc/35/32/31/922353231.db2.gz XBRFFEGAAABPJC-CYBMUJFWSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001380337460 922353246 /nfs/dbraw/zinc/35/32/46/922353246.db2.gz XBRFFEGAAABPJC-CYBMUJFWSA-N 1 1 307.358 -1.514 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001380337709 922353463 /nfs/dbraw/zinc/35/34/63/922353463.db2.gz LJLWURIJJOEUOT-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001380341267 922353563 /nfs/dbraw/zinc/35/35/63/922353563.db2.gz YLTLHCLDKGVVCG-JSGCOSHPSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380340886 922353832 /nfs/dbraw/zinc/35/38/32/922353832.db2.gz GGRFOBQHGGTALW-STQMWFEESA-N 1 1 312.414 -1.291 20 0 DAADMO C[C@@]1(NC(=O)Cn2nc3n(c2=O)CCCC3)CC[N@@H+](CCO)C1 ZINC001380378725 922355331 /nfs/dbraw/zinc/35/53/31/922355331.db2.gz KZHVPLQGDAHKGG-OAHLLOKOSA-N 1 1 323.397 -1.046 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001380378168 922356803 /nfs/dbraw/zinc/35/68/03/922356803.db2.gz OKKUQRPHRNPGFF-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380375017 922357131 /nfs/dbraw/zinc/35/71/31/922357131.db2.gz DJGVTLQTWGYWIW-ZWNOBZJWSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380518908 922361482 /nfs/dbraw/zinc/36/14/82/922361482.db2.gz IECZYQXXADMJCL-HZMBPMFUSA-N 1 1 314.386 -1.848 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001380512285 922361658 /nfs/dbraw/zinc/36/16/58/922361658.db2.gz DAUPIRDQPHOTTM-RISCZKNCSA-N 1 1 315.370 -1.068 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001380517353 922361917 /nfs/dbraw/zinc/36/19/17/922361917.db2.gz FFXYYKCGBMSWQR-AWEZNQCLSA-N 1 1 315.370 -1.955 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001380517353 922361927 /nfs/dbraw/zinc/36/19/27/922361927.db2.gz FFXYYKCGBMSWQR-AWEZNQCLSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380513244 922362908 /nfs/dbraw/zinc/36/29/08/922362908.db2.gz DLEJDJTVBBNXDB-NHYWBVRUSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380513244 922362920 /nfs/dbraw/zinc/36/29/20/922362920.db2.gz DLEJDJTVBBNXDB-NHYWBVRUSA-N 1 1 324.381 -1.950 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380518909 922363485 /nfs/dbraw/zinc/36/34/85/922363485.db2.gz IECZYQXXADMJCL-IINYFYTJSA-N 1 1 314.386 -1.848 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380513238 922364604 /nfs/dbraw/zinc/36/46/04/922364604.db2.gz DLEJDJTVBBNXDB-ABAIWWIYSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380513238 922364613 /nfs/dbraw/zinc/36/46/13/922364613.db2.gz DLEJDJTVBBNXDB-ABAIWWIYSA-N 1 1 324.381 -1.950 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001380518639 922364644 /nfs/dbraw/zinc/36/46/44/922364644.db2.gz HROOYSVRFNHWEO-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001380518639 922364654 /nfs/dbraw/zinc/36/46/54/922364654.db2.gz HROOYSVRFNHWEO-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380513241 922365035 /nfs/dbraw/zinc/36/50/35/922365035.db2.gz DLEJDJTVBBNXDB-IAQYHMDHSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380513241 922365053 /nfs/dbraw/zinc/36/50/53/922365053.db2.gz DLEJDJTVBBNXDB-IAQYHMDHSA-N 1 1 324.381 -1.950 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001380521644 922366241 /nfs/dbraw/zinc/36/62/41/922366241.db2.gz OTXHMNNSHZNLLP-HZMBPMFUSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(F)(F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380520357 922366693 /nfs/dbraw/zinc/36/66/93/922366693.db2.gz KSDVYZPAEQYJNU-LLVKDONJSA-N 1 1 308.285 -1.611 20 0 DAADMO CC(F)(F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380520357 922366708 /nfs/dbraw/zinc/36/67/08/922366708.db2.gz KSDVYZPAEQYJNU-LLVKDONJSA-N 1 1 308.285 -1.611 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)CC)C1 ZINC001380531063 922366992 /nfs/dbraw/zinc/36/69/92/922366992.db2.gz KICCPHGDMWFRKE-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)CC)C1 ZINC001380531063 922367009 /nfs/dbraw/zinc/36/70/09/922367009.db2.gz KICCPHGDMWFRKE-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380524647 922367802 /nfs/dbraw/zinc/36/78/02/922367802.db2.gz XTVSXBSBWYXXBS-CYBMUJFWSA-N 1 1 324.341 -1.968 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c2)C1 ZINC001380524647 922367824 /nfs/dbraw/zinc/36/78/24/922367824.db2.gz XTVSXBSBWYXXBS-CYBMUJFWSA-N 1 1 324.341 -1.968 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525925 922367914 /nfs/dbraw/zinc/36/79/14/922367914.db2.gz HPLCICCBQHZYFN-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525925 922367933 /nfs/dbraw/zinc/36/79/33/922367933.db2.gz HPLCICCBQHZYFN-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001380523789 922368051 /nfs/dbraw/zinc/36/80/51/922368051.db2.gz ZXFZIFWWJUBBST-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001380523789 922368062 /nfs/dbraw/zinc/36/80/62/922368062.db2.gz ZXFZIFWWJUBBST-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001380523677 922368152 /nfs/dbraw/zinc/36/81/52/922368152.db2.gz UZYFUOWKYRWTJT-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001380523677 922368166 /nfs/dbraw/zinc/36/81/66/922368166.db2.gz UZYFUOWKYRWTJT-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)CC)C1 ZINC001380531060 922369801 /nfs/dbraw/zinc/36/98/01/922369801.db2.gz KICCPHGDMWFRKE-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)CC)C1 ZINC001380531060 922369815 /nfs/dbraw/zinc/36/98/15/922369815.db2.gz KICCPHGDMWFRKE-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)C)C1 ZINC001380524935 922369885 /nfs/dbraw/zinc/36/98/85/922369885.db2.gz ZOEFHDDTIBMIPM-CYBMUJFWSA-N 1 1 300.359 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)C)C1 ZINC001380524935 922369896 /nfs/dbraw/zinc/36/98/96/922369896.db2.gz ZOEFHDDTIBMIPM-CYBMUJFWSA-N 1 1 300.359 -1.349 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001380537544 922370734 /nfs/dbraw/zinc/37/07/34/922370734.db2.gz SWQKHZWPPWSNAV-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001380537544 922370744 /nfs/dbraw/zinc/37/07/44/922370744.db2.gz SWQKHZWPPWSNAV-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001380538545 922371103 /nfs/dbraw/zinc/37/11/03/922371103.db2.gz SHOLUOKNHNNSES-ZDUSSCGKSA-N 1 1 309.326 -2.073 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001380538545 922371113 /nfs/dbraw/zinc/37/11/13/922371113.db2.gz SHOLUOKNHNNSES-ZDUSSCGKSA-N 1 1 309.326 -2.073 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(OC)no2)C1 ZINC001380534853 922371229 /nfs/dbraw/zinc/37/12/29/922371229.db2.gz FTGQSHBFXYMWIM-CYBMUJFWSA-N 1 1 312.326 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(OC)no2)C1 ZINC001380534853 922371239 /nfs/dbraw/zinc/37/12/39/922371239.db2.gz FTGQSHBFXYMWIM-CYBMUJFWSA-N 1 1 312.326 -1.404 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380533584 922371388 /nfs/dbraw/zinc/37/13/88/922371388.db2.gz MBETVLMSRQBCEX-SWLSCSKDSA-N 1 1 323.397 -1.221 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380539110 922371544 /nfs/dbraw/zinc/37/15/44/922371544.db2.gz ZXEZEPRMZOBIOV-IINYFYTJSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380539110 922371562 /nfs/dbraw/zinc/37/15/62/922371562.db2.gz ZXEZEPRMZOBIOV-IINYFYTJSA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380533162 922371594 /nfs/dbraw/zinc/37/15/94/922371594.db2.gz JAQWLODTLNHPTD-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380533162 922371609 /nfs/dbraw/zinc/37/16/09/922371609.db2.gz JAQWLODTLNHPTD-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001380532851 922372470 /nfs/dbraw/zinc/37/24/70/922372470.db2.gz JPWJNPQLFYLJRP-MFKMUULPSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380539168 922373280 /nfs/dbraw/zinc/37/32/80/922373280.db2.gz TZHADHGARAQPJC-LBPRGKRZSA-N 1 1 321.399 -2.433 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380539579 922373444 /nfs/dbraw/zinc/37/34/44/922373444.db2.gz NLHMJKIRQXMHQW-CYBMUJFWSA-N 1 1 309.326 -1.905 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380539579 922373458 /nfs/dbraw/zinc/37/34/58/922373458.db2.gz NLHMJKIRQXMHQW-CYBMUJFWSA-N 1 1 309.326 -1.905 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380539105 922374101 /nfs/dbraw/zinc/37/41/01/922374101.db2.gz LTIALPJDYGAJJQ-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380539105 922374112 /nfs/dbraw/zinc/37/41/12/922374112.db2.gz LTIALPJDYGAJJQ-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380534131 922374730 /nfs/dbraw/zinc/37/47/30/922374730.db2.gz BCZRALCGBAUAOL-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380548125 922375484 /nfs/dbraw/zinc/37/54/84/922375484.db2.gz JPKHYEZTHPFJQH-UKTARXLSSA-N 1 1 321.381 -1.277 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542940 922375971 /nfs/dbraw/zinc/37/59/71/922375971.db2.gz QRPAXLSGPGYSLN-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542940 922375985 /nfs/dbraw/zinc/37/59/85/922375985.db2.gz QRPAXLSGPGYSLN-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001380540916 922376018 /nfs/dbraw/zinc/37/60/18/922376018.db2.gz YTGZAJILOXOBMV-MFKMUULPSA-N 1 1 324.341 -2.024 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001380540916 922376028 /nfs/dbraw/zinc/37/60/28/922376028.db2.gz YTGZAJILOXOBMV-MFKMUULPSA-N 1 1 324.341 -2.024 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001380541979 922376058 /nfs/dbraw/zinc/37/60/58/922376058.db2.gz IYAUIKKVYQCURO-DFBGVHRSSA-N 1 1 311.382 -1.016 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001380541979 922376072 /nfs/dbraw/zinc/37/60/72/922376072.db2.gz IYAUIKKVYQCURO-DFBGVHRSSA-N 1 1 311.382 -1.016 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1)N1CCC1 ZINC001380546978 922376216 /nfs/dbraw/zinc/37/62/16/922376216.db2.gz CMIDRISAUUUGHM-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1)N1CCC1 ZINC001380546978 922376228 /nfs/dbraw/zinc/37/62/28/922376228.db2.gz CMIDRISAUUUGHM-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CC(=O)NC)C1 ZINC001380541249 922376267 /nfs/dbraw/zinc/37/62/67/922376267.db2.gz ATRJUYZOEYLUMF-AWEZNQCLSA-N 1 1 300.403 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001380542211 922377330 /nfs/dbraw/zinc/37/73/30/922377330.db2.gz ZAZISEQTAVTHIA-CQSZACIVSA-N 1 1 322.369 -1.806 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001380542211 922377344 /nfs/dbraw/zinc/37/73/44/922377344.db2.gz ZAZISEQTAVTHIA-CQSZACIVSA-N 1 1 322.369 -1.806 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001380541808 922377600 /nfs/dbraw/zinc/37/76/00/922377600.db2.gz DCEXBZZCKXOGSS-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001380541808 922377613 /nfs/dbraw/zinc/37/76/13/922377613.db2.gz DCEXBZZCKXOGSS-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCC3CC3)C2)c1=O ZINC001380544161 922378523 /nfs/dbraw/zinc/37/85/23/922378523.db2.gz IIXOVYVSAXDZNQ-HNNXBMFYSA-N 1 1 323.397 -1.065 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)c1=O ZINC001380542615 922379138 /nfs/dbraw/zinc/37/91/38/922379138.db2.gz FUFBSXLBVCNBCZ-ZDUSSCGKSA-N 1 1 313.358 -2.483 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547548 922379415 /nfs/dbraw/zinc/37/94/15/922379415.db2.gz AGGFZMUWWXQGRT-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547548 922379424 /nfs/dbraw/zinc/37/94/24/922379424.db2.gz AGGFZMUWWXQGRT-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnn2ncccc12 ZINC001380542217 922379699 /nfs/dbraw/zinc/37/96/99/922379699.db2.gz ZCPZURSOJYIKKG-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001380546328 922380034 /nfs/dbraw/zinc/38/00/34/922380034.db2.gz BDSAWNHSONATPB-VNHYZAJKSA-N 1 1 316.398 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3nonc3c2)C1 ZINC001380553897 922381493 /nfs/dbraw/zinc/38/14/93/922381493.db2.gz NYSLSSVQMZMRGS-AWEZNQCLSA-N 1 1 319.321 -1.125 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nonc3c2)C1 ZINC001380553897 922381500 /nfs/dbraw/zinc/38/15/00/922381500.db2.gz NYSLSSVQMZMRGS-AWEZNQCLSA-N 1 1 319.321 -1.125 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001380549403 922381576 /nfs/dbraw/zinc/38/15/76/922381576.db2.gz HXUYXAMKOAXVJS-NOZJJQNGSA-N 1 1 311.342 -1.287 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001380549411 922382447 /nfs/dbraw/zinc/38/24/47/922382447.db2.gz HXUYXAMKOAXVJS-ZANVPECISA-N 1 1 311.342 -1.287 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001380552686 922383725 /nfs/dbraw/zinc/38/37/25/922383725.db2.gz NJGIDOGQKYUDCP-BXUZGUMPSA-N 1 1 322.369 -1.740 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380548893 922384098 /nfs/dbraw/zinc/38/40/98/922384098.db2.gz BXDSAOQJRMJLOJ-HZMBPMFUSA-N 1 1 322.369 -1.442 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)ccc1=O ZINC001380549886 922384492 /nfs/dbraw/zinc/38/44/92/922384492.db2.gz RFXSCAFXNMKNOP-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380549172 922384669 /nfs/dbraw/zinc/38/46/69/922384669.db2.gz CFJQAMOGRMISCI-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380549172 922384685 /nfs/dbraw/zinc/38/46/85/922384685.db2.gz CFJQAMOGRMISCI-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)N2CCC2)C1 ZINC001380552235 922385289 /nfs/dbraw/zinc/38/52/89/922385289.db2.gz JRDYZCXJGQQMFA-CZUORRHYSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccnnc1 ZINC001380553824 922385461 /nfs/dbraw/zinc/38/54/61/922385461.db2.gz JVNGCLINHOTMRN-IUODEOHRSA-N 1 1 319.365 -1.078 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380550737 922385510 /nfs/dbraw/zinc/38/55/10/922385510.db2.gz IGVPLVDEMHSJFA-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380550737 922385527 /nfs/dbraw/zinc/38/55/27/922385527.db2.gz IGVPLVDEMHSJFA-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553252 922385562 /nfs/dbraw/zinc/38/55/62/922385562.db2.gz MXRPLZNMFSXMPJ-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553252 922385576 /nfs/dbraw/zinc/38/55/76/922385576.db2.gz MXRPLZNMFSXMPJ-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380554075 922386109 /nfs/dbraw/zinc/38/61/09/922386109.db2.gz QGASCHHKTCLCEP-YGRLFVJLSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380554075 922386125 /nfs/dbraw/zinc/38/61/25/922386125.db2.gz QGASCHHKTCLCEP-YGRLFVJLSA-N 1 1 307.354 -1.606 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380555506 922386625 /nfs/dbraw/zinc/38/66/25/922386625.db2.gz QFZLPOXPMUSNMK-YGRLFVJLSA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380555506 922386640 /nfs/dbraw/zinc/38/66/40/922386640.db2.gz QFZLPOXPMUSNMK-YGRLFVJLSA-N 1 1 324.385 -1.620 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001380556584 922387213 /nfs/dbraw/zinc/38/72/13/922387213.db2.gz IDUJRWURZHPDCM-BFVZDQMLSA-N 1 1 312.370 -2.251 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001380556584 922387226 /nfs/dbraw/zinc/38/72/26/922387226.db2.gz IDUJRWURZHPDCM-BFVZDQMLSA-N 1 1 312.370 -2.251 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001380557337 922387451 /nfs/dbraw/zinc/38/74/51/922387451.db2.gz SRGLBEHQJULBBH-HNNXBMFYSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380554071 922388111 /nfs/dbraw/zinc/38/81/11/922388111.db2.gz QGASCHHKTCLCEP-IINYFYTJSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380554071 922388131 /nfs/dbraw/zinc/38/81/31/922388131.db2.gz QGASCHHKTCLCEP-IINYFYTJSA-N 1 1 307.354 -1.606 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380554864 922388271 /nfs/dbraw/zinc/38/82/71/922388271.db2.gz RABAFRTWPXSVQY-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380554864 922388283 /nfs/dbraw/zinc/38/82/83/922388283.db2.gz RABAFRTWPXSVQY-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380556717 922388338 /nfs/dbraw/zinc/38/83/38/922388338.db2.gz PBTCFVOHELWKKA-UFBFGSQYSA-N 1 1 300.315 -2.870 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001380556585 922389820 /nfs/dbraw/zinc/38/98/20/922389820.db2.gz IDUJRWURZHPDCM-ISTVAULSSA-N 1 1 312.370 -2.251 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001380556585 922389836 /nfs/dbraw/zinc/38/98/36/922389836.db2.gz IDUJRWURZHPDCM-ISTVAULSSA-N 1 1 312.370 -2.251 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380557907 922390235 /nfs/dbraw/zinc/39/02/35/922390235.db2.gz ZQCVLTAVEFAGEO-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)NCC1CC1 ZINC001380557557 922390281 /nfs/dbraw/zinc/39/02/81/922390281.db2.gz YIKIGRPABYHVLP-AWEZNQCLSA-N 1 1 323.353 -1.238 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)NCC1CC1 ZINC001380557557 922390297 /nfs/dbraw/zinc/39/02/97/922390297.db2.gz YIKIGRPABYHVLP-AWEZNQCLSA-N 1 1 323.353 -1.238 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565501 922391811 /nfs/dbraw/zinc/39/18/11/922391811.db2.gz IHEYUSCHCQHWAW-TVQRCGJNSA-N 1 1 311.342 -1.191 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565501 922391825 /nfs/dbraw/zinc/39/18/25/922391825.db2.gz IHEYUSCHCQHWAW-TVQRCGJNSA-N 1 1 311.342 -1.191 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(CC(=O)NC)C1 ZINC001380566465 922392081 /nfs/dbraw/zinc/39/20/81/922392081.db2.gz PVYWQSQNHJIDRO-AWEZNQCLSA-N 1 1 300.403 -1.373 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380568366 922392727 /nfs/dbraw/zinc/39/27/27/922392727.db2.gz CAKKUGHXCDNPSX-RNCFNFMXSA-N 1 1 313.358 -2.514 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380568366 922392737 /nfs/dbraw/zinc/39/27/37/922392737.db2.gz CAKKUGHXCDNPSX-RNCFNFMXSA-N 1 1 313.358 -2.514 20 0 DAADMO CC[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566085 922394372 /nfs/dbraw/zinc/39/43/72/922394372.db2.gz PGMIITBIRSYSOL-BLLLJJGKSA-N 1 1 324.425 -1.101 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccn3)C2)n1 ZINC001380559191 922394403 /nfs/dbraw/zinc/39/44/03/922394403.db2.gz ZYLXDFXSPFUHGE-AWEZNQCLSA-N 1 1 317.353 -1.028 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001380560543 922394447 /nfs/dbraw/zinc/39/44/47/922394447.db2.gz WPPHKEWRFWLITP-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572394 922395342 /nfs/dbraw/zinc/39/53/42/922395342.db2.gz MCRICZFEXNESDE-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572394 922395353 /nfs/dbraw/zinc/39/53/53/922395353.db2.gz MCRICZFEXNESDE-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380573823 922396731 /nfs/dbraw/zinc/39/67/31/922396731.db2.gz PWVIWRFMNUZKDJ-WCQYABFASA-N 1 1 313.358 -2.162 20 0 DAADMO CCCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380581785 922402137 /nfs/dbraw/zinc/40/21/37/922402137.db2.gz PRKZDWDDPDGKIR-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380581775 922403406 /nfs/dbraw/zinc/40/34/06/922403406.db2.gz POVDGEWBUJYLHV-AAEUAGOBSA-N 1 1 324.425 -1.089 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001380601539 922414123 /nfs/dbraw/zinc/41/41/23/922414123.db2.gz XQGFNOYVKKIYHA-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3ncnn3C)C2)C1 ZINC001380612177 922417161 /nfs/dbraw/zinc/41/71/61/922417161.db2.gz GPVFFXGAOYJAMD-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCC(=O)N1 ZINC001380636603 922428546 /nfs/dbraw/zinc/42/85/46/922428546.db2.gz YMEORANCSYETFQ-NEPJUHHUSA-N 1 1 311.382 -1.003 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001380642980 922430322 /nfs/dbraw/zinc/43/03/22/922430322.db2.gz OLUSNFTZPHHQBI-LLVKDONJSA-N 1 1 308.386 -1.570 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380642163 922430413 /nfs/dbraw/zinc/43/04/13/922430413.db2.gz LTKFXPWDZOMHOA-RYUDHWBXSA-N 1 1 312.414 -1.422 20 0 DAADMO O=C(NCC1(O)C[NH+](CC2CC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001380644666 922430667 /nfs/dbraw/zinc/43/06/67/922430667.db2.gz ZXSVPHLAHIYNMD-JTQLQIEISA-N 1 1 303.384 -1.749 20 0 DAADMO NC(=O)c1cc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)c[nH]1 ZINC001380644553 922430925 /nfs/dbraw/zinc/43/09/25/922430925.db2.gz YUCOVXPJUGRFDQ-JTQLQIEISA-N 1 1 322.365 -1.073 20 0 DAADMO O=C(NCC1(O)C[NH+](CC2CC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001380644668 922431581 /nfs/dbraw/zinc/43/15/81/922431581.db2.gz ZXSVPHLAHIYNMD-SNVBAGLBSA-N 1 1 303.384 -1.749 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(CC(=O)N3CCC3)C2)C1 ZINC001380640188 922432009 /nfs/dbraw/zinc/43/20/09/922432009.db2.gz GSECERKSKUVUSN-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CC(=O)N3CCCC3)C2)C1 ZINC001380641449 922432080 /nfs/dbraw/zinc/43/20/80/922432080.db2.gz HRSKDBOTIYUYOE-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380642157 922432396 /nfs/dbraw/zinc/43/23/96/922432396.db2.gz LTKFXPWDZOMHOA-NEPJUHHUSA-N 1 1 312.414 -1.422 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001380701762 922437062 /nfs/dbraw/zinc/43/70/62/922437062.db2.gz BOJWKKQFFKOAEX-AOOOYVTPSA-N 1 1 308.342 -1.111 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001380701762 922437075 /nfs/dbraw/zinc/43/70/75/922437075.db2.gz BOJWKKQFFKOAEX-AOOOYVTPSA-N 1 1 308.342 -1.111 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001380680865 922437134 /nfs/dbraw/zinc/43/71/34/922437134.db2.gz MYTBQFFYVAOEAO-UWVGGRQHSA-N 1 1 322.369 -1.169 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CS(C)(=O)=O)C[C@H]2C1 ZINC001380701617 922437276 /nfs/dbraw/zinc/43/72/76/922437276.db2.gz WIVFVGJLNVLFKH-GRYCIOLGSA-N 1 1 320.411 -1.572 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001380702977 922437564 /nfs/dbraw/zinc/43/75/64/922437564.db2.gz GFQVCHQNCIABFD-GRYCIOLGSA-N 1 1 323.397 -1.464 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001380702982 922437603 /nfs/dbraw/zinc/43/76/03/922437603.db2.gz GFQVCHQNCIABFD-TUAOUCFPSA-N 1 1 323.397 -1.464 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001380701328 922437889 /nfs/dbraw/zinc/43/78/89/922437889.db2.gz MAKJQMBVBNKVGH-TXEJJXNPSA-N 1 1 306.370 -1.159 20 0 DAADMO C[C@@H]([NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1)C(N)=O ZINC001380718214 922439200 /nfs/dbraw/zinc/43/92/00/922439200.db2.gz JRIITGYVWLIXNM-SECBINFHSA-N 1 1 309.374 -1.538 20 0 DAADMO C[C@@H]([NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1)C(N)=O ZINC001380718214 922439207 /nfs/dbraw/zinc/43/92/07/922439207.db2.gz JRIITGYVWLIXNM-SECBINFHSA-N 1 1 309.374 -1.538 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001380709427 922439653 /nfs/dbraw/zinc/43/96/53/922439653.db2.gz TVMDUHXSRUUSKB-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO)S(C)(=O)=O ZINC001380771946 922454175 /nfs/dbraw/zinc/45/41/75/922454175.db2.gz UCKHNZFRNHBOAI-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1)c1nncn1C ZINC001380773870 922457835 /nfs/dbraw/zinc/45/78/35/922457835.db2.gz MWYVUCROSMZPKK-MNOVXSKESA-N 1 1 324.385 -1.435 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001380806262 922457860 /nfs/dbraw/zinc/45/78/60/922457860.db2.gz HRZVTSMJSHWWSQ-ZDUSSCGKSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1CC1CCOCC1 ZINC001380806262 922457864 /nfs/dbraw/zinc/45/78/64/922457864.db2.gz HRZVTSMJSHWWSQ-ZDUSSCGKSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1)c1nncn1C ZINC001380773871 922458295 /nfs/dbraw/zinc/45/82/95/922458295.db2.gz MWYVUCROSMZPKK-QWRGUYRKSA-N 1 1 324.385 -1.435 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001380799274 922458554 /nfs/dbraw/zinc/45/85/54/922458554.db2.gz ZZYHVCSFCGWQBA-QJPTWQEYSA-N 1 1 324.385 -1.246 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 ZINC001380869865 922468236 /nfs/dbraw/zinc/46/82/36/922468236.db2.gz OAGFYYCKFUQECZ-SNVBAGLBSA-N 1 1 321.385 -1.135 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001380900637 922470371 /nfs/dbraw/zinc/47/03/71/922470371.db2.gz CHYAMLNRNNFTJS-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001380934041 922477268 /nfs/dbraw/zinc/47/72/68/922477268.db2.gz QSSZFRUGUXMVQX-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001380921765 922477825 /nfs/dbraw/zinc/47/78/25/922477825.db2.gz CRLUFMTVWWTOKU-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)N1CC[C@@H]([NH+]2CCN([C@H](C)C(=O)NC(N)=O)CC2)C1 ZINC001380918167 922478164 /nfs/dbraw/zinc/47/81/64/922478164.db2.gz PLCOJYNUNHZOFX-ZYHUDNBSSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001380973602 922482969 /nfs/dbraw/zinc/48/29/69/922482969.db2.gz XJGWNQKSJIZUHM-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001380973586 922485017 /nfs/dbraw/zinc/48/50/17/922485017.db2.gz XJGWNQKSJIZUHM-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001381142948 922502054 /nfs/dbraw/zinc/50/20/54/922502054.db2.gz JRXITMUWKURIDW-JSGCOSHPSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[C@H]([NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1)C(N)=O ZINC001381153798 922503679 /nfs/dbraw/zinc/50/36/79/922503679.db2.gz KKNUNPJWXYYZOI-JTQLQIEISA-N 1 1 324.385 -1.066 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001381184413 922509366 /nfs/dbraw/zinc/50/93/66/922509366.db2.gz DJJQCAOSNYONTG-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001381174864 922509477 /nfs/dbraw/zinc/50/94/77/922509477.db2.gz WLOVLFLSSSKLRM-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001381174864 922509486 /nfs/dbraw/zinc/50/94/86/922509486.db2.gz WLOVLFLSSSKLRM-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001381164783 922509507 /nfs/dbraw/zinc/50/95/07/922509507.db2.gz BCMQXUWQZKRRGF-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001381164783 922509513 /nfs/dbraw/zinc/50/95/13/922509513.db2.gz BCMQXUWQZKRRGF-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)CNC(C)=O)CC1 ZINC001381242374 922514991 /nfs/dbraw/zinc/51/49/91/922514991.db2.gz UMOOTBSBOPKSKB-UHFFFAOYSA-N 1 1 314.386 -1.798 20 0 DAADMO NC(=O)NCCC(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC001381239336 922515469 /nfs/dbraw/zinc/51/54/69/922515469.db2.gz CIFRPIFJFSZFHK-UHFFFAOYSA-N 1 1 314.386 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001381268129 922515883 /nfs/dbraw/zinc/51/58/83/922515883.db2.gz OBEINDRUFAZSOM-NSHDSACASA-N 1 1 324.385 -1.515 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cncn2C)CC1 ZINC001381249910 922515981 /nfs/dbraw/zinc/51/59/81/922515981.db2.gz RJGANRAYAIQNGB-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001381288793 922517225 /nfs/dbraw/zinc/51/72/25/922517225.db2.gz GTZVGWHOSASQQO-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290496 922517789 /nfs/dbraw/zinc/51/77/89/922517789.db2.gz DXDFETVGZNBDCO-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001381292398 922517843 /nfs/dbraw/zinc/51/78/43/922517843.db2.gz HALYTIKBTVTDIV-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001381304135 922518034 /nfs/dbraw/zinc/51/80/34/922518034.db2.gz OTYUAGPGUCBRHM-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001381304135 922518043 /nfs/dbraw/zinc/51/80/43/922518043.db2.gz OTYUAGPGUCBRHM-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001381293494 922518922 /nfs/dbraw/zinc/51/89/22/922518922.db2.gz JYHKWMKNJLTBAJ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001381280706 922519102 /nfs/dbraw/zinc/51/91/02/922519102.db2.gz HZKKHKWUPJYUOB-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001381280706 922519112 /nfs/dbraw/zinc/51/91/12/922519112.db2.gz HZKKHKWUPJYUOB-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381364133 922523359 /nfs/dbraw/zinc/52/33/59/922523359.db2.gz PKJFXUGBLJQHBA-BDAKNGLRSA-N 1 1 312.378 -1.488 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381412425 922525645 /nfs/dbraw/zinc/52/56/45/922525645.db2.gz BBNVRIICAYVATF-JGVFFNPUSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427103 922526549 /nfs/dbraw/zinc/52/65/49/922526549.db2.gz ISFOPGPMPMVSBJ-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427103 922526559 /nfs/dbraw/zinc/52/65/59/922526559.db2.gz ISFOPGPMPMVSBJ-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001381412423 922527177 /nfs/dbraw/zinc/52/71/77/922527177.db2.gz BBNVRIICAYVATF-HTQZYQBOSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H](C)NC(=O)c1ncn[nH]1 ZINC001381427106 922528352 /nfs/dbraw/zinc/52/83/52/922528352.db2.gz ISFOPGPMPMVSBJ-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001381427106 922528364 /nfs/dbraw/zinc/52/83/64/922528364.db2.gz ISFOPGPMPMVSBJ-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001381515459 922529568 /nfs/dbraw/zinc/52/95/68/922529568.db2.gz YXUIZIQPGZLNAV-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001381515459 922529578 /nfs/dbraw/zinc/52/95/78/922529578.db2.gz YXUIZIQPGZLNAV-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001381511164 922529876 /nfs/dbraw/zinc/52/98/76/922529876.db2.gz WXMLNZTWUHZVHT-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001381519121 922530239 /nfs/dbraw/zinc/53/02/39/922530239.db2.gz NISSGVXBXCCGGW-MRVPVSSYSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001381519121 922530255 /nfs/dbraw/zinc/53/02/55/922530255.db2.gz NISSGVXBXCCGGW-MRVPVSSYSA-N 1 1 313.358 -1.904 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001381519244 922530407 /nfs/dbraw/zinc/53/04/07/922530407.db2.gz YOUHKDAZHKRBTR-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001381519244 922530421 /nfs/dbraw/zinc/53/04/21/922530421.db2.gz YOUHKDAZHKRBTR-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001381493491 922530820 /nfs/dbraw/zinc/53/08/20/922530820.db2.gz MJMLTVCKLHPBDY-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001381493491 922530836 /nfs/dbraw/zinc/53/08/36/922530836.db2.gz MJMLTVCKLHPBDY-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)CCNS(C)(=O)=O ZINC001381518826 922530974 /nfs/dbraw/zinc/53/09/74/922530974.db2.gz RRDLEMWYNLQXAE-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001381518826 922530987 /nfs/dbraw/zinc/53/09/87/922530987.db2.gz RRDLEMWYNLQXAE-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502716 922531165 /nfs/dbraw/zinc/53/11/65/922531165.db2.gz ADAGQOFONNKJAN-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502716 922531180 /nfs/dbraw/zinc/53/11/80/922531180.db2.gz ADAGQOFONNKJAN-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001381501614 922531664 /nfs/dbraw/zinc/53/16/64/922531664.db2.gz QDQNGRMBYDQQAS-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001381501614 922531676 /nfs/dbraw/zinc/53/16/76/922531676.db2.gz QDQNGRMBYDQQAS-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001381511725 922532085 /nfs/dbraw/zinc/53/20/85/922532085.db2.gz ABLVJSQOKMFHHW-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001381511725 922532094 /nfs/dbraw/zinc/53/20/94/922532094.db2.gz ABLVJSQOKMFHHW-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)NC1CC1 ZINC001381537058 922533265 /nfs/dbraw/zinc/53/32/65/922533265.db2.gz GADLDOLZPAPUFL-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)NC1CC1 ZINC001381537058 922533279 /nfs/dbraw/zinc/53/32/79/922533279.db2.gz GADLDOLZPAPUFL-JTQLQIEISA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001381570521 922533580 /nfs/dbraw/zinc/53/35/80/922533580.db2.gz YWXMRUDMLVGTHQ-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001381537169 922534185 /nfs/dbraw/zinc/53/41/85/922534185.db2.gz ZWMHSFZPZZEEDM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001381537169 922534195 /nfs/dbraw/zinc/53/41/95/922534195.db2.gz ZWMHSFZPZZEEDM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001381566276 922535573 /nfs/dbraw/zinc/53/55/73/922535573.db2.gz RCQOYZKRHXGTHT-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001381566276 922535588 /nfs/dbraw/zinc/53/55/88/922535588.db2.gz RCQOYZKRHXGTHT-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCNC(=O)C1CC1 ZINC001381534304 922536411 /nfs/dbraw/zinc/53/64/11/922536411.db2.gz PLWLDOBSCNPNNC-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCN1CCCC1=O ZINC001381572505 922536610 /nfs/dbraw/zinc/53/66/10/922536610.db2.gz KEZQWTFQTNINPB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001381584666 922537212 /nfs/dbraw/zinc/53/72/12/922537212.db2.gz CVRIGZBYEHMCOJ-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001381586099 922537331 /nfs/dbraw/zinc/53/73/31/922537331.db2.gz IDAWYXFQYAHENJ-GUBZILKMSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](C)[N@H+](C)CC(N)=O)c(=O)n1 ZINC001381598665 922537595 /nfs/dbraw/zinc/53/75/95/922537595.db2.gz KZZOAGGQNZDBIE-NSHDSACASA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)c(=O)n1 ZINC001381598665 922537606 /nfs/dbraw/zinc/53/76/06/922537606.db2.gz KZZOAGGQNZDBIE-NSHDSACASA-N 1 1 309.370 -1.218 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634519 922538967 /nfs/dbraw/zinc/53/89/67/922538967.db2.gz ZHEJNMQITKWOHM-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634519 922538974 /nfs/dbraw/zinc/53/89/74/922538974.db2.gz ZHEJNMQITKWOHM-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001381632495 922539364 /nfs/dbraw/zinc/53/93/64/922539364.db2.gz BLFKUCWAWFVEKE-CHWSQXEVSA-N 1 1 314.382 -1.009 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1cncn1C ZINC001381612484 922539720 /nfs/dbraw/zinc/53/97/20/922539720.db2.gz UBFFCGHIEPTFNY-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cncn1C ZINC001381612484 922539737 /nfs/dbraw/zinc/53/97/37/922539737.db2.gz UBFFCGHIEPTFNY-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)[N@@H+](C)CCO ZINC001381617554 922540319 /nfs/dbraw/zinc/54/03/19/922540319.db2.gz KYYPDWLXBFCKLX-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001381586879 922540391 /nfs/dbraw/zinc/54/03/91/922540391.db2.gz WNEQJUGPWANMHJ-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001381586879 922540402 /nfs/dbraw/zinc/54/04/02/922540402.db2.gz WNEQJUGPWANMHJ-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[C@H](C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1)OC ZINC001381663351 922544164 /nfs/dbraw/zinc/54/41/64/922544164.db2.gz WVDSETDNJRJUPQ-LLVKDONJSA-N 1 1 312.374 -1.349 20 0 DAADMO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1)OC ZINC001381663356 922544236 /nfs/dbraw/zinc/54/42/36/922544236.db2.gz WVDSETDNJRJUPQ-NSHDSACASA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001381663489 922545217 /nfs/dbraw/zinc/54/52/17/922545217.db2.gz ITURFKNKCYHJMC-UHFFFAOYSA-N 1 1 310.398 -1.619 20 0 DAADMO CN(C)C(=O)CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381665421 922546152 /nfs/dbraw/zinc/54/61/52/922546152.db2.gz NZWRERONAUVMTM-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001381658243 922546189 /nfs/dbraw/zinc/54/61/89/922546189.db2.gz IKPMHLLLACBQTC-UHFFFAOYSA-N 1 1 311.386 -1.065 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001381692100 922547573 /nfs/dbraw/zinc/54/75/73/922547573.db2.gz OZEUCMIGKWFELS-NSHDSACASA-N 1 1 323.397 -1.121 20 0 DAADMO CN(C)C(=O)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381688141 922548481 /nfs/dbraw/zinc/54/84/81/922548481.db2.gz ACDLKPCAUHAPNG-GFCCVEGCSA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381789798 922554154 /nfs/dbraw/zinc/55/41/54/922554154.db2.gz JQZJAGUWQWKZFG-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](NC(=O)CN(C)S(C)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381779644 922554455 /nfs/dbraw/zinc/55/44/55/922554455.db2.gz SOVYAOWBEXTIQE-IUCAKERBSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@H](NC(=O)CCn1cnccc1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381812641 922554676 /nfs/dbraw/zinc/55/46/76/922554676.db2.gz MWEQBXOBPLSFEB-QWRGUYRKSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381779645 922554995 /nfs/dbraw/zinc/55/49/95/922554995.db2.gz SOVYAOWBEXTIQE-RKDXNWHRSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001381791467 922555266 /nfs/dbraw/zinc/55/52/66/922555266.db2.gz MDKYVTBAACXMDR-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381778748 922556147 /nfs/dbraw/zinc/55/61/47/922556147.db2.gz OVQUFZDVOXAWNK-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381813693 922557216 /nfs/dbraw/zinc/55/72/16/922557216.db2.gz OTMAYJZGNZQQHB-CMPLNLGQSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001381832915 922557662 /nfs/dbraw/zinc/55/76/62/922557662.db2.gz YELBZNRZCIEHKD-RKDXNWHRSA-N 1 1 320.415 -1.893 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001381838028 922559031 /nfs/dbraw/zinc/55/90/31/922559031.db2.gz INJYGIGLHYPVMG-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001381848975 922559868 /nfs/dbraw/zinc/55/98/68/922559868.db2.gz NRHBTUGMEXQTLT-LBPRGKRZSA-N 1 1 320.415 -1.637 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001381872846 922561026 /nfs/dbraw/zinc/56/10/26/922561026.db2.gz RKWGBAQTPBRNOM-RVMXOQNASA-N 1 1 320.393 -1.209 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001381879879 922563330 /nfs/dbraw/zinc/56/33/30/922563330.db2.gz MGFGSHDOEZKAEA-WISYIIOYSA-N 1 1 308.382 -1.305 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001381895360 922563380 /nfs/dbraw/zinc/56/33/80/922563380.db2.gz YAKZTDDGHFZZTL-YFKTTZPYSA-N 1 1 324.381 -1.085 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC001381890921 922563866 /nfs/dbraw/zinc/56/38/66/922563866.db2.gz GNEJDWWDHQXAHM-KKOKHZNYSA-N 1 1 309.370 -1.270 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)c1=O ZINC001381892152 922564469 /nfs/dbraw/zinc/56/44/69/922564469.db2.gz IDXYJBWSWQQRRX-CNDDSTCGSA-N 1 1 324.356 -1.190 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nonc3C)[C@@H]2C1 ZINC001381908657 922565729 /nfs/dbraw/zinc/56/57/29/922565729.db2.gz GNJADSAEMHRPFI-RTCCRHLQSA-N 1 1 307.354 -1.039 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001381919762 922566045 /nfs/dbraw/zinc/56/60/45/922566045.db2.gz RDQLKTCYKVMLRL-YFKTTZPYSA-N 1 1 323.397 -1.560 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001381921979 922567790 /nfs/dbraw/zinc/56/77/90/922567790.db2.gz NAUKTJDNIKWTTJ-CABZTGNLSA-N 1 1 324.385 -1.045 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001381936338 922568349 /nfs/dbraw/zinc/56/83/49/922568349.db2.gz ZVYQFKJSQDQVRT-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001381995525 922575640 /nfs/dbraw/zinc/57/56/40/922575640.db2.gz QKPJHDQQQXWKKU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001382086073 922583178 /nfs/dbraw/zinc/58/31/78/922583178.db2.gz ONTXZFJXUHVLHZ-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001382097847 922583696 /nfs/dbraw/zinc/58/36/96/922583696.db2.gz YQBFNLIENQPARX-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)CNC(N)=O ZINC001382134997 922586207 /nfs/dbraw/zinc/58/62/07/922586207.db2.gz PNVISKKYQVUMHD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001382113745 922587495 /nfs/dbraw/zinc/58/74/95/922587495.db2.gz BNODSTACPWBOFZ-RKDXNWHRSA-N 1 1 310.362 -1.830 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)cn1 ZINC001382184257 922601711 /nfs/dbraw/zinc/60/17/11/922601711.db2.gz DWUCPOQOMZVAMJ-NSHDSACASA-N 1 1 316.383 -1.604 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001382190690 922605433 /nfs/dbraw/zinc/60/54/33/922605433.db2.gz OVWWFVNPKXKVOO-SNVBAGLBSA-N 1 1 319.383 -1.152 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)C1 ZINC001382196577 922606649 /nfs/dbraw/zinc/60/66/49/922606649.db2.gz BDTVMYPBVMWSNE-LBPRGKRZSA-N 1 1 309.370 -1.535 20 0 DAADMO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]nc(C)c1C ZINC001382197565 922607591 /nfs/dbraw/zinc/60/75/91/922607591.db2.gz VSKCEOSTWFODSJ-GHMZBOCLSA-N 1 1 300.359 -1.286 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001382198884 922611566 /nfs/dbraw/zinc/61/15/66/922611566.db2.gz LQYXWNNBUGFWAL-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O)c1ncccc1O ZINC001382203073 922613363 /nfs/dbraw/zinc/61/33/63/922613363.db2.gz ZCMWTTMYCZQABL-NXEZZACHSA-N 1 1 308.338 -1.254 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001382207591 922618077 /nfs/dbraw/zinc/61/80/77/922618077.db2.gz KOJGTTSVOAQDTB-RWMBFGLXSA-N 1 1 314.430 -1.128 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001382207591 922618089 /nfs/dbraw/zinc/61/80/89/922618089.db2.gz KOJGTTSVOAQDTB-RWMBFGLXSA-N 1 1 314.430 -1.128 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2cnnn2C)CC[N@H+]1C ZINC001382211073 922618120 /nfs/dbraw/zinc/61/81/20/922618120.db2.gz PEXRJZNFQPUZPS-NQBHXWOUSA-N 1 1 310.402 -1.278 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)c1=O ZINC001382207352 922618994 /nfs/dbraw/zinc/61/89/94/922618994.db2.gz JNLOUMDYEGRFNM-GFCCVEGCSA-N 1 1 320.353 -1.756 20 0 DAADMO NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001382212202 922622270 /nfs/dbraw/zinc/62/22/70/922622270.db2.gz NQZOGHOQRCTGKN-YPMHNXCESA-N 1 1 312.414 -1.055 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001382226582 922627770 /nfs/dbraw/zinc/62/77/70/922627770.db2.gz HWVDYSNVZZJZBC-BDAKNGLRSA-N 1 1 307.372 -2.637 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001382225240 922628119 /nfs/dbraw/zinc/62/81/19/922628119.db2.gz YDEUTMGYPBNWFS-ZJUUUORDSA-N 1 1 323.397 -1.229 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001382225227 922628355 /nfs/dbraw/zinc/62/83/55/922628355.db2.gz YDEUTMGYPBNWFS-UWVGGRQHSA-N 1 1 323.397 -1.229 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001382232364 922632312 /nfs/dbraw/zinc/63/23/12/922632312.db2.gz CGVPGAOADYIYJY-RYUDHWBXSA-N 1 1 314.430 -1.128 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001382236719 922634059 /nfs/dbraw/zinc/63/40/59/922634059.db2.gz OZUODOKQIRIRFJ-RWMBFGLXSA-N 1 1 314.430 -1.128 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001382236719 922634071 /nfs/dbraw/zinc/63/40/71/922634071.db2.gz OZUODOKQIRIRFJ-RWMBFGLXSA-N 1 1 314.430 -1.128 20 0 DAADMO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC)C1 ZINC001382238577 922635571 /nfs/dbraw/zinc/63/55/71/922635571.db2.gz OCWFQKHQTIIIAO-CHWSQXEVSA-N 1 1 314.430 -1.079 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC)C1 ZINC001382238577 922635576 /nfs/dbraw/zinc/63/55/76/922635576.db2.gz OCWFQKHQTIIIAO-CHWSQXEVSA-N 1 1 314.430 -1.079 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(=O)NC)[NH+](C)C ZINC001382242723 922637793 /nfs/dbraw/zinc/63/77/93/922637793.db2.gz OXUNBHYTKOYVPU-ZJUUUORDSA-N 1 1 317.390 -2.151 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CNC(=O)N1 ZINC001382239237 922638188 /nfs/dbraw/zinc/63/81/88/922638188.db2.gz UBOHIMQEHKPLGW-PWSUYJOCSA-N 1 1 322.369 -1.923 20 0 DAADMO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001382250294 922639955 /nfs/dbraw/zinc/63/99/55/922639955.db2.gz KRPXAJXHLHCTDW-RKDXNWHRSA-N 1 1 302.331 -2.187 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)=NC1=O ZINC001382247261 922642197 /nfs/dbraw/zinc/64/21/97/922642197.db2.gz FUOGGEVPVGXRKY-VIFPVBQESA-N 1 1 309.330 -1.902 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)n2C)n1 ZINC001382253927 922643336 /nfs/dbraw/zinc/64/33/36/922643336.db2.gz YIGGJXVRTBIECJ-JTQLQIEISA-N 1 1 308.342 -1.260 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001382252708 922644039 /nfs/dbraw/zinc/64/40/39/922644039.db2.gz IZQUWHJDWQMHJQ-JTQLQIEISA-N 1 1 320.353 -1.272 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2nncn2C)C1 ZINC001382256528 922646850 /nfs/dbraw/zinc/64/68/50/922646850.db2.gz VTSWBFYMIFRDNA-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001382261991 922648912 /nfs/dbraw/zinc/64/89/12/922648912.db2.gz XNQUZYLPDIPYFY-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001382261991 922648922 /nfs/dbraw/zinc/64/89/22/922648922.db2.gz XNQUZYLPDIPYFY-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2nncn2C)C1 ZINC001382256532 922649261 /nfs/dbraw/zinc/64/92/61/922649261.db2.gz VTSWBFYMIFRDNA-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001382266303 922650390 /nfs/dbraw/zinc/65/03/90/922650390.db2.gz LVURPAQNLQGOIK-MRVPVSSYSA-N 1 1 309.388 -2.248 20 0 DAADMO O=C(NC[C@@H](CO)N[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001382268239 922651048 /nfs/dbraw/zinc/65/10/48/922651048.db2.gz UFFBIKHUNCWIFM-RYUDHWBXSA-N 1 1 310.398 -1.573 20 0 DAADMO O=C(NC[C@@H](CO)N[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001382268238 922653036 /nfs/dbraw/zinc/65/30/36/922653036.db2.gz UFFBIKHUNCWIFM-NWDGAFQWSA-N 1 1 310.398 -1.573 20 0 DAADMO CCN(CC)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382270813 922656430 /nfs/dbraw/zinc/65/64/30/922656430.db2.gz DRPYYXARJKLTQM-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(CC)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382270813 922656436 /nfs/dbraw/zinc/65/64/36/922656436.db2.gz DRPYYXARJKLTQM-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382269726 922657342 /nfs/dbraw/zinc/65/73/42/922657342.db2.gz ASLYEADLYJGWIR-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO CCn1ncc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382274915 922658173 /nfs/dbraw/zinc/65/81/73/922658173.db2.gz QHULOYBRSKEAHO-YPMHNXCESA-N 1 1 310.402 -1.184 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273624 922658803 /nfs/dbraw/zinc/65/88/03/922658803.db2.gz LRXSJPFGTPOAAU-VXGBXAGGSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273624 922658813 /nfs/dbraw/zinc/65/88/13/922658813.db2.gz LRXSJPFGTPOAAU-VXGBXAGGSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275831 922661222 /nfs/dbraw/zinc/66/12/22/922661222.db2.gz UGDKXPXKXUPEBX-QWHCGFSZSA-N 1 1 312.414 -1.469 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275831 922661235 /nfs/dbraw/zinc/66/12/35/922661235.db2.gz UGDKXPXKXUPEBX-QWHCGFSZSA-N 1 1 312.414 -1.469 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001382277901 922661386 /nfs/dbraw/zinc/66/13/86/922661386.db2.gz WCMAPNRUZBRBRQ-NEPJUHHUSA-N 1 1 324.381 -1.006 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001382277911 922661825 /nfs/dbraw/zinc/66/18/25/922661825.db2.gz WCMAPNRUZBRBRQ-RYUDHWBXSA-N 1 1 324.381 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(F)F)C1 ZINC001382276530 922662677 /nfs/dbraw/zinc/66/26/77/922662677.db2.gz SAAXNMJKNYLYMJ-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(F)F)C1 ZINC001382276530 922662690 /nfs/dbraw/zinc/66/26/90/922662690.db2.gz SAAXNMJKNYLYMJ-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275829 922662759 /nfs/dbraw/zinc/66/27/59/922662759.db2.gz UGDKXPXKXUPEBX-OLZOCXBDSA-N 1 1 312.414 -1.469 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275829 922662768 /nfs/dbraw/zinc/66/27/68/922662768.db2.gz UGDKXPXKXUPEBX-OLZOCXBDSA-N 1 1 312.414 -1.469 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001382277907 922663006 /nfs/dbraw/zinc/66/30/06/922663006.db2.gz WCMAPNRUZBRBRQ-NWDGAFQWSA-N 1 1 324.381 -1.006 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C ZINC001382279599 922664850 /nfs/dbraw/zinc/66/48/50/922664850.db2.gz DLGWDLOGYYLDHO-SNVBAGLBSA-N 1 1 318.399 -1.579 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001382290223 922669748 /nfs/dbraw/zinc/66/97/48/922669748.db2.gz WXAGPOPWWUTILT-SNVBAGLBSA-N 1 1 319.387 -2.464 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001382301999 922674653 /nfs/dbraw/zinc/67/46/53/922674653.db2.gz MKQYKYPTXPXXQM-ZJUUUORDSA-N 1 1 324.389 -1.392 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001382317812 922680549 /nfs/dbraw/zinc/68/05/49/922680549.db2.gz FHACJSDUDUZXSJ-OUCADQQQSA-N 1 1 324.385 -1.206 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001382315765 922680874 /nfs/dbraw/zinc/68/08/74/922680874.db2.gz YAQZVUBCISTUBI-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCNC(N)=O ZINC001382313034 922681255 /nfs/dbraw/zinc/68/12/55/922681255.db2.gz JGDRHZFJYXYXRP-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001382312316 922681553 /nfs/dbraw/zinc/68/15/53/922681553.db2.gz PSYDSAQGOLIAQN-ZYHUDNBSSA-N 1 1 309.370 -1.421 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001382317815 922681629 /nfs/dbraw/zinc/68/16/29/922681629.db2.gz FHACJSDUDUZXSJ-SCRDCRAPSA-N 1 1 324.385 -1.206 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cnns1 ZINC001382331217 922686249 /nfs/dbraw/zinc/68/62/49/922686249.db2.gz OGWYHLYVGJHTTF-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccnn1C ZINC001382350382 922694412 /nfs/dbraw/zinc/69/44/12/922694412.db2.gz UTJGTLOOVBOIPT-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001382357629 922695038 /nfs/dbraw/zinc/69/50/38/922695038.db2.gz LQDRGBDURYSIQD-GHMZBOCLSA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001382367961 922697668 /nfs/dbraw/zinc/69/76/68/922697668.db2.gz KBMIEGSLNGXULX-MWLCHTKSSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370394 922700028 /nfs/dbraw/zinc/70/00/28/922700028.db2.gz JXDPVNIIXGWOLZ-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370394 922700035 /nfs/dbraw/zinc/70/00/35/922700035.db2.gz JXDPVNIIXGWOLZ-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1cncnc1 ZINC001382370035 922700884 /nfs/dbraw/zinc/70/08/84/922700884.db2.gz PYFSJLRPTLSDFF-STQMWFEESA-N 1 1 321.381 -1.293 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1ccnc1 ZINC001382370789 922701099 /nfs/dbraw/zinc/70/10/99/922701099.db2.gz SRPPBUGLRILOBR-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1 ZINC001382370787 922701220 /nfs/dbraw/zinc/70/12/20/922701220.db2.gz SRPPBUGLRILOBR-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382369424 922701400 /nfs/dbraw/zinc/70/14/00/922701400.db2.gz AIDLHLBYDSVQEA-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1cncnc1 ZINC001382370027 922701526 /nfs/dbraw/zinc/70/15/26/922701526.db2.gz PYFSJLRPTLSDFF-OLZOCXBDSA-N 1 1 321.381 -1.293 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1 ZINC001382370788 922701718 /nfs/dbraw/zinc/70/17/18/922701718.db2.gz SRPPBUGLRILOBR-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370402 922701804 /nfs/dbraw/zinc/70/18/04/922701804.db2.gz JXDPVNIIXGWOLZ-WDEREUQCSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370402 922701819 /nfs/dbraw/zinc/70/18/19/922701819.db2.gz JXDPVNIIXGWOLZ-WDEREUQCSA-N 1 1 301.387 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001382373525 922702254 /nfs/dbraw/zinc/70/22/54/922702254.db2.gz AOBJNJAMPYBOHY-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382370721 922702371 /nfs/dbraw/zinc/70/23/71/922702371.db2.gz SBJPYDAHVUZEAU-UWVGGRQHSA-N 1 1 310.358 -1.586 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001382387246 922709348 /nfs/dbraw/zinc/70/93/48/922709348.db2.gz DDFZZLDBBHWYHB-WCBMZHEXSA-N 1 1 315.399 -1.028 20 0 DAADMO Cc1cc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001382387915 922710032 /nfs/dbraw/zinc/71/00/32/922710032.db2.gz QOZUWUMPDHWPIS-LLVKDONJSA-N 1 1 323.357 -1.342 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001382387249 922710077 /nfs/dbraw/zinc/71/00/77/922710077.db2.gz DDFZZLDBBHWYHB-WPRPVWTQSA-N 1 1 315.399 -1.028 20 0 DAADMO CN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccn[nH]1 ZINC001382389111 922712799 /nfs/dbraw/zinc/71/27/99/922712799.db2.gz NWVOSEPKIYLQDY-NWDGAFQWSA-N 1 1 322.369 -1.310 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001382390414 922714192 /nfs/dbraw/zinc/71/41/92/922714192.db2.gz QUZMBALLPRMNQT-QMMMGPOBSA-N 1 1 312.330 -2.112 20 0 DAADMO CN(C[C@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccn[nH]1 ZINC001382389110 922714986 /nfs/dbraw/zinc/71/49/86/922714986.db2.gz NWVOSEPKIYLQDY-NEPJUHHUSA-N 1 1 322.369 -1.310 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)C1CC1 ZINC001382393739 922715819 /nfs/dbraw/zinc/71/58/19/922715819.db2.gz OGZJMLLOZOVJBP-JQWIXIFHSA-N 1 1 312.374 -1.456 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)nc1 ZINC001382395415 922716238 /nfs/dbraw/zinc/71/62/38/922716238.db2.gz VSHXGOQQSWJFBU-WDEREUQCSA-N 1 1 324.385 -1.249 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382398795 922719485 /nfs/dbraw/zinc/71/94/85/922719485.db2.gz GCLURKMNHNQLQW-KOLCDFICSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CN1CCCC1=O ZINC001382399269 922720812 /nfs/dbraw/zinc/72/08/12/922720812.db2.gz YCAQEYLSDAEBIC-LLVKDONJSA-N 1 1 311.342 -1.399 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C2=CCOCC2)C1 ZINC001382399679 922721017 /nfs/dbraw/zinc/72/10/17/922721017.db2.gz GMFIEKGICCACBI-QWHCGFSZSA-N 1 1 311.382 -1.122 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)nc1 ZINC001382400890 922722445 /nfs/dbraw/zinc/72/24/45/922722445.db2.gz MQQZPYCBXUXOEL-LLVKDONJSA-N 1 1 320.357 -1.619 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001382413112 922731149 /nfs/dbraw/zinc/73/11/49/922731149.db2.gz DVAKKWVBPWADQB-ZJUUUORDSA-N 1 1 312.374 -1.765 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1 ZINC001382412593 922732439 /nfs/dbraw/zinc/73/24/39/922732439.db2.gz ONQHLKHYVKCIQW-LLVKDONJSA-N 1 1 313.358 -1.097 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2ccn(C)n2)[nH]1 ZINC001382411738 922732460 /nfs/dbraw/zinc/73/24/60/922732460.db2.gz NLBIVHCQGMIAEP-LBPRGKRZSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@]1(F)CCOC1 ZINC001382419348 922736771 /nfs/dbraw/zinc/73/67/71/922736771.db2.gz PCWOQPXCXWGRHH-WCQYABFASA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001382420767 922736804 /nfs/dbraw/zinc/73/68/04/922736804.db2.gz MGPRVFGSILONRQ-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nccs1)C(=O)c1nnn(C)n1 ZINC001382421143 922738012 /nfs/dbraw/zinc/73/80/12/922738012.db2.gz TUORZXCMPZHJMX-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nccs1)C(=O)c1nnn(C)n1 ZINC001382421144 922738131 /nfs/dbraw/zinc/73/81/31/922738131.db2.gz TUORZXCMPZHJMX-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(F)CCOC1 ZINC001382419353 922739190 /nfs/dbraw/zinc/73/91/90/922739190.db2.gz PCWOQPXCXWGRHH-YPMHNXCESA-N 1 1 315.349 -1.147 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn[nH]c(=O)c1 ZINC001382422525 922741307 /nfs/dbraw/zinc/74/13/07/922741307.db2.gz ZFCHLFXLZKZPEJ-LLVKDONJSA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccncn1 ZINC001382426644 922746170 /nfs/dbraw/zinc/74/61/70/922746170.db2.gz MICCUIGVZAHJJS-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnn(C)n2)n1 ZINC001382431616 922747671 /nfs/dbraw/zinc/74/76/71/922747671.db2.gz UKJVNSBYPKJCFY-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCO1 ZINC001382437829 922752780 /nfs/dbraw/zinc/75/27/80/922752780.db2.gz HFLVYVXRDRNFIG-NXEZZACHSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCO1 ZINC001382437829 922752790 /nfs/dbraw/zinc/75/27/90/922752790.db2.gz HFLVYVXRDRNFIG-NXEZZACHSA-N 1 1 316.358 -1.889 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNCc1nnn(C)n1 ZINC001382439084 922753623 /nfs/dbraw/zinc/75/36/23/922753623.db2.gz FJFPRLWHEPTTQS-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001382443146 922755461 /nfs/dbraw/zinc/75/54/61/922755461.db2.gz CVFVVWQITQUIEY-VHSXEESVSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001382443146 922755470 /nfs/dbraw/zinc/75/54/70/922755470.db2.gz CVFVVWQITQUIEY-VHSXEESVSA-N 1 1 318.374 -1.772 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNCc1nnnn1C ZINC001382440610 922755531 /nfs/dbraw/zinc/75/55/31/922755531.db2.gz IHCVOPQYWLZKCH-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO Cc1nccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382441035 922755856 /nfs/dbraw/zinc/75/58/56/922755856.db2.gz QAVKSUVIYQUYEE-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382443886 922756340 /nfs/dbraw/zinc/75/63/40/922756340.db2.gz OTGUOARJOWLDSQ-NXEZZACHSA-N 1 1 316.358 -2.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H](O)C(C)C ZINC001382444880 922759297 /nfs/dbraw/zinc/75/92/97/922759297.db2.gz XZLCHITYJWRGJN-WCQYABFASA-N 1 1 312.370 -1.198 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382445159 922759669 /nfs/dbraw/zinc/75/96/69/922759669.db2.gz HQHGGOBDSHSJMP-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382445159 922759676 /nfs/dbraw/zinc/75/96/76/922759676.db2.gz HQHGGOBDSHSJMP-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001382445791 922759762 /nfs/dbraw/zinc/75/97/62/922759762.db2.gz RFUCQAAENHDLJU-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO COCC1(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001382444194 922759827 /nfs/dbraw/zinc/75/98/27/922759827.db2.gz VZMFVJKFZHCBSJ-RYUDHWBXSA-N 1 1 313.398 -1.042 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382445157 922759982 /nfs/dbraw/zinc/75/99/82/922759982.db2.gz HQHGGOBDSHSJMP-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382445157 922759990 /nfs/dbraw/zinc/75/99/90/922759990.db2.gz HQHGGOBDSHSJMP-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)CS(C)(=O)=O ZINC001382447740 922760184 /nfs/dbraw/zinc/76/01/84/922760184.db2.gz SJINFXWGMBDUNR-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001382445969 922760327 /nfs/dbraw/zinc/76/03/27/922760327.db2.gz LCQRXMMUGACGAA-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001382445969 922760339 /nfs/dbraw/zinc/76/03/39/922760339.db2.gz LCQRXMMUGACGAA-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CN(C[C@@H](O)CNCc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382444892 922760563 /nfs/dbraw/zinc/76/05/63/922760563.db2.gz POGFGDJYENUZOE-AAEUAGOBSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)CNCc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382444892 922760571 /nfs/dbraw/zinc/76/05/71/922760571.db2.gz POGFGDJYENUZOE-AAEUAGOBSA-N 1 1 310.402 -1.324 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382450710 922761730 /nfs/dbraw/zinc/76/17/30/922761730.db2.gz NRGWNELFOJQNHN-RKDXNWHRSA-N 1 1 320.415 -1.316 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382450710 922761746 /nfs/dbraw/zinc/76/17/46/922761746.db2.gz NRGWNELFOJQNHN-RKDXNWHRSA-N 1 1 320.415 -1.316 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001382450383 922762769 /nfs/dbraw/zinc/76/27/69/922762769.db2.gz DLNSWYDUTQANJK-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001382450383 922762788 /nfs/dbraw/zinc/76/27/88/922762788.db2.gz DLNSWYDUTQANJK-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CC1CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001382453550 922763482 /nfs/dbraw/zinc/76/34/82/922763482.db2.gz NLWLSZSLPMSULI-ILDUYXDCSA-N 1 1 314.386 -1.022 20 0 DAADMO CC1CC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001382453550 922763493 /nfs/dbraw/zinc/76/34/93/922763493.db2.gz NLWLSZSLPMSULI-ILDUYXDCSA-N 1 1 314.386 -1.022 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c1cnn(C)c1 ZINC001382458142 922764747 /nfs/dbraw/zinc/76/47/47/922764747.db2.gz GKLUGPDODFPDGN-QWHCGFSZSA-N 1 1 314.386 -1.149 20 0 DAADMO COc1ccncc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001382461895 922767381 /nfs/dbraw/zinc/76/73/81/922767381.db2.gz MPEGTUMBDDIHOJ-LBPRGKRZSA-N 1 1 324.381 -1.131 20 0 DAADMO COc1ccncc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001382461895 922767396 /nfs/dbraw/zinc/76/73/96/922767396.db2.gz MPEGTUMBDDIHOJ-LBPRGKRZSA-N 1 1 324.381 -1.131 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001382464409 922768339 /nfs/dbraw/zinc/76/83/39/922768339.db2.gz AWQJWSRUUDZFFD-VXGBXAGGSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001382464409 922768355 /nfs/dbraw/zinc/76/83/55/922768355.db2.gz AWQJWSRUUDZFFD-VXGBXAGGSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c(=O)[nH]c1C ZINC001382464970 922769222 /nfs/dbraw/zinc/76/92/22/922769222.db2.gz URGUQZSHAGXGKT-NSHDSACASA-N 1 1 312.370 -1.256 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382465207 922769329 /nfs/dbraw/zinc/76/93/29/922769329.db2.gz GGMTYJWRRBMLAR-VIFPVBQESA-N 1 1 311.342 -2.119 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382465207 922769342 /nfs/dbraw/zinc/76/93/42/922769342.db2.gz GGMTYJWRRBMLAR-VIFPVBQESA-N 1 1 311.342 -2.119 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1ncnn1 ZINC001382466740 922769871 /nfs/dbraw/zinc/76/98/71/922769871.db2.gz UHEDZWOCCQJHFA-RYUDHWBXSA-N 1 1 312.374 -1.539 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382464717 922769949 /nfs/dbraw/zinc/76/99/49/922769949.db2.gz CDSUTXIBMASBOI-RYUDHWBXSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382464713 922770297 /nfs/dbraw/zinc/77/02/97/922770297.db2.gz CDSUTXIBMASBOI-NEPJUHHUSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382463869 922771242 /nfs/dbraw/zinc/77/12/42/922771242.db2.gz DHAQAONDDICXSJ-CIQGVGRVSA-N 1 1 313.398 -1.282 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382463869 922771255 /nfs/dbraw/zinc/77/12/55/922771255.db2.gz DHAQAONDDICXSJ-CIQGVGRVSA-N 1 1 313.398 -1.282 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)Cn1ncnn1 ZINC001382466725 922771327 /nfs/dbraw/zinc/77/13/27/922771327.db2.gz UHEDZWOCCQJHFA-NEPJUHHUSA-N 1 1 312.374 -1.539 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001382473439 922772329 /nfs/dbraw/zinc/77/23/29/922772329.db2.gz UZEFMERGWTVZKL-GWCFXTLKSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001382473439 922772344 /nfs/dbraw/zinc/77/23/44/922772344.db2.gz UZEFMERGWTVZKL-GWCFXTLKSA-N 1 1 305.350 -1.388 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001382472301 922772445 /nfs/dbraw/zinc/77/24/45/922772445.db2.gz NWZMBDYZZMAHHG-RYUDHWBXSA-N 1 1 316.402 -1.466 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001382470605 922772907 /nfs/dbraw/zinc/77/29/07/922772907.db2.gz FLTPYPRCABEOMJ-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001382470605 922772919 /nfs/dbraw/zinc/77/29/19/922772919.db2.gz FLTPYPRCABEOMJ-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001382468706 922773673 /nfs/dbraw/zinc/77/36/73/922773673.db2.gz XDYNOACJDDRBQJ-JQWIXIFHSA-N 1 1 324.385 -1.590 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001382468390 922774330 /nfs/dbraw/zinc/77/43/30/922774330.db2.gz HDYDPVDLDKNGBT-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382467441 922774424 /nfs/dbraw/zinc/77/44/24/922774424.db2.gz NUYIGUIBVVGZNG-UWVGGRQHSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467441 922774434 /nfs/dbraw/zinc/77/44/34/922774434.db2.gz NUYIGUIBVVGZNG-UWVGGRQHSA-N 1 1 300.359 -1.129 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001382467441 922774441 /nfs/dbraw/zinc/77/44/41/922774441.db2.gz NUYIGUIBVVGZNG-UWVGGRQHSA-N 1 1 300.359 -1.129 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001382471654 922774548 /nfs/dbraw/zinc/77/45/48/922774548.db2.gz QYGCQVXNKPDVLP-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382468388 922774746 /nfs/dbraw/zinc/77/47/46/922774746.db2.gz HDYDPVDLDKNGBT-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ncc[nH]1 ZINC001382473138 922774784 /nfs/dbraw/zinc/77/47/84/922774784.db2.gz NEPSEMBOXNNRQE-NWDGAFQWSA-N 1 1 323.397 -1.066 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001382469314 922775189 /nfs/dbraw/zinc/77/51/89/922775189.db2.gz AGTYLVZQRFBVFN-UWVGGRQHSA-N 1 1 300.363 -1.390 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382476083 922776930 /nfs/dbraw/zinc/77/69/30/922776930.db2.gz VIHHLPUTFKFNMW-NEPJUHHUSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C)C(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382476650 922777695 /nfs/dbraw/zinc/77/76/95/922777695.db2.gz BYLBKSVGRLFIML-QWHCGFSZSA-N 1 1 314.430 -1.223 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001382474802 922778206 /nfs/dbraw/zinc/77/82/06/922778206.db2.gz SKPFHEHVLPFRAW-MWLCHTKSSA-N 1 1 312.370 -1.141 20 0 DAADMO CN(C)C(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382476655 922778487 /nfs/dbraw/zinc/77/84/87/922778487.db2.gz BYLBKSVGRLFIML-STQMWFEESA-N 1 1 314.430 -1.223 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1nc2ncccn2n1 ZINC001382474336 922778562 /nfs/dbraw/zinc/77/85/62/922778562.db2.gz UNCAILDFLCPVBT-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001382474377 922778973 /nfs/dbraw/zinc/77/89/73/922778973.db2.gz ACCOOTDFEBIHTC-MNOVXSKESA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001382475829 922779170 /nfs/dbraw/zinc/77/91/70/922779170.db2.gz UPKKISZCPGDSJS-WDEREUQCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)CCNC(N)=O ZINC001382479054 922779898 /nfs/dbraw/zinc/77/98/98/922779898.db2.gz GFTDFBIKKZJSSP-NEPJUHHUSA-N 1 1 316.402 -1.168 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001382480262 922780019 /nfs/dbraw/zinc/78/00/19/922780019.db2.gz NANQDBWZIIXICD-QWRGUYRKSA-N 1 1 310.416 -1.590 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001382480262 922780030 /nfs/dbraw/zinc/78/00/30/922780030.db2.gz NANQDBWZIIXICD-QWRGUYRKSA-N 1 1 310.416 -1.590 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001382482941 922780541 /nfs/dbraw/zinc/78/05/41/922780541.db2.gz VPVREXURILKIRR-LBPRGKRZSA-N 1 1 324.381 -1.072 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001382480264 922780879 /nfs/dbraw/zinc/78/08/79/922780879.db2.gz NANQDBWZIIXICD-WDEREUQCSA-N 1 1 310.416 -1.590 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001382480264 922780885 /nfs/dbraw/zinc/78/08/85/922780885.db2.gz NANQDBWZIIXICD-WDEREUQCSA-N 1 1 310.416 -1.590 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)CCNC(N)=O ZINC001382479056 922781025 /nfs/dbraw/zinc/78/10/25/922781025.db2.gz GFTDFBIKKZJSSP-NWDGAFQWSA-N 1 1 316.402 -1.168 20 0 DAADMO COc1cccnc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001382481569 922781882 /nfs/dbraw/zinc/78/18/82/922781882.db2.gz LQIUUDPNWYZPBC-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cccnc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001382481569 922781894 /nfs/dbraw/zinc/78/18/94/922781894.db2.gz LQIUUDPNWYZPBC-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001382480261 922781931 /nfs/dbraw/zinc/78/19/31/922781931.db2.gz NANQDBWZIIXICD-MNOVXSKESA-N 1 1 310.416 -1.590 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001382480261 922781942 /nfs/dbraw/zinc/78/19/42/922781942.db2.gz NANQDBWZIIXICD-MNOVXSKESA-N 1 1 310.416 -1.590 20 0 DAADMO COc1cccnc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001382481568 922782134 /nfs/dbraw/zinc/78/21/34/922782134.db2.gz LQIUUDPNWYZPBC-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cccnc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001382481568 922782152 /nfs/dbraw/zinc/78/21/52/922782152.db2.gz LQIUUDPNWYZPBC-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001382485710 922784756 /nfs/dbraw/zinc/78/47/56/922784756.db2.gz FNVTYDXTHZXTQJ-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382485107 922785421 /nfs/dbraw/zinc/78/54/21/922785421.db2.gz YRSJPGVPQGORDN-TUAOUCFPSA-N 1 1 317.386 -1.977 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCCC(N)=O)C1 ZINC001382495471 922786191 /nfs/dbraw/zinc/78/61/91/922786191.db2.gz KSBYOFCUXVATTL-GHMZBOCLSA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCCC(N)=O)C1 ZINC001382495483 922787439 /nfs/dbraw/zinc/78/74/39/922787439.db2.gz KSBYOFCUXVATTL-QWRGUYRKSA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382507977 922791119 /nfs/dbraw/zinc/79/11/19/922791119.db2.gz DOOPEGZLWHRKQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507977 922791122 /nfs/dbraw/zinc/79/11/22/922791122.db2.gz DOOPEGZLWHRKQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507977 922791133 /nfs/dbraw/zinc/79/11/33/922791133.db2.gz DOOPEGZLWHRKQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001382520709 922792452 /nfs/dbraw/zinc/79/24/52/922792452.db2.gz LKBDQWKJGPCZAP-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO COCC[N@H+](CCNC(=O)C1=COCCO1)[C@H]1CCNC1=O ZINC001382525391 922792490 /nfs/dbraw/zinc/79/24/90/922792490.db2.gz FOGHPHBBKZOCBL-NSHDSACASA-N 1 1 313.354 -1.172 20 0 DAADMO COCC[N@@H+](CCNC(=O)C1=COCCO1)[C@H]1CCNC1=O ZINC001382525391 922792503 /nfs/dbraw/zinc/79/25/03/922792503.db2.gz FOGHPHBBKZOCBL-NSHDSACASA-N 1 1 313.354 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ccnnc1 ZINC001382517705 922792995 /nfs/dbraw/zinc/79/29/95/922792995.db2.gz DKFUQLADXFJRCK-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O ZINC001382527782 922796149 /nfs/dbraw/zinc/79/61/49/922796149.db2.gz QRAVYBLOWDGEKB-NSHDSACASA-N 1 1 312.370 -1.054 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCCNC1=O ZINC001382547991 922798258 /nfs/dbraw/zinc/79/82/58/922798258.db2.gz NPADCHJIAXMWCS-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCCNC1=O ZINC001382547991 922798271 /nfs/dbraw/zinc/79/82/71/922798271.db2.gz NPADCHJIAXMWCS-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001382548094 922798297 /nfs/dbraw/zinc/79/82/97/922798297.db2.gz GYIQXHFNTYIUMZ-MWLCHTKSSA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cnnn1 ZINC001382547864 922800473 /nfs/dbraw/zinc/80/04/73/922800473.db2.gz GAIYIQSWRVHVIV-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001382548311 922803370 /nfs/dbraw/zinc/80/33/70/922803370.db2.gz IJKTXBZQZANXLL-GHMZBOCLSA-N 1 1 313.354 -1.438 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001382567211 922810190 /nfs/dbraw/zinc/81/01/90/922810190.db2.gz DKCPCSSZWYIUJX-UHFFFAOYSA-N 1 1 322.369 -1.013 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001382575496 922812774 /nfs/dbraw/zinc/81/27/74/922812774.db2.gz XGDHYFDJRNJADS-SDDRHHMPSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001382585487 922815301 /nfs/dbraw/zinc/81/53/01/922815301.db2.gz VXIFDSFIKOKLQE-ZJUUUORDSA-N 1 1 311.342 -1.239 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CNC(=O)N1 ZINC001382621130 922823015 /nfs/dbraw/zinc/82/30/15/922823015.db2.gz LLCLAPCOGXTITN-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CNC(=O)N1 ZINC001382621128 922823037 /nfs/dbraw/zinc/82/30/37/922823037.db2.gz LLCLAPCOGXTITN-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1cnnn1C ZINC001382622885 922823057 /nfs/dbraw/zinc/82/30/57/922823057.db2.gz PHYVWAZKLJBRFS-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CNC(=O)N1 ZINC001382621131 922823278 /nfs/dbraw/zinc/82/32/78/922823278.db2.gz LLCLAPCOGXTITN-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1nccnc1N ZINC001382625835 922823302 /nfs/dbraw/zinc/82/33/02/922823302.db2.gz XRUQTNBYUBNMQH-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001382630380 922824765 /nfs/dbraw/zinc/82/47/65/922824765.db2.gz LXBYBBBBYCNZJZ-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382631013 922825315 /nfs/dbraw/zinc/82/53/15/922825315.db2.gz RFEBWMNJJIIAAL-MXWKQRLJSA-N 1 1 314.386 -1.959 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001382630377 922825627 /nfs/dbraw/zinc/82/56/27/922825627.db2.gz LXBYBBBBYCNZJZ-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001382891668 922841879 /nfs/dbraw/zinc/84/18/79/922841879.db2.gz AHLPPPYPMSURTD-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908332 922845429 /nfs/dbraw/zinc/84/54/29/922845429.db2.gz RBNZHTCDVAVXER-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908332 922845446 /nfs/dbraw/zinc/84/54/46/922845446.db2.gz RBNZHTCDVAVXER-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382957999 922854117 /nfs/dbraw/zinc/85/41/17/922854117.db2.gz VYPNBLXJDJKBGH-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382957999 922854120 /nfs/dbraw/zinc/85/41/20/922854120.db2.gz VYPNBLXJDJKBGH-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382953881 922855465 /nfs/dbraw/zinc/85/54/65/922855465.db2.gz OJICRYJPHJFMBB-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382953881 922855474 /nfs/dbraw/zinc/85/54/74/922855474.db2.gz OJICRYJPHJFMBB-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382962639 922856803 /nfs/dbraw/zinc/85/68/03/922856803.db2.gz VSEMUPJMTKQZGK-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382962645 922858001 /nfs/dbraw/zinc/85/80/01/922858001.db2.gz VSEMUPJMTKQZGK-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382994282 922862889 /nfs/dbraw/zinc/86/28/89/922862889.db2.gz LLBFZVKJCNCNDD-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[NH+](CC)CC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001382999013 922866282 /nfs/dbraw/zinc/86/62/82/922866282.db2.gz NMNGOUYBAIPVJN-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001382999013 922866297 /nfs/dbraw/zinc/86/62/97/922866297.db2.gz NMNGOUYBAIPVJN-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001383026055 922871041 /nfs/dbraw/zinc/87/10/41/922871041.db2.gz YXVBHZLRKFXXFL-JTQLQIEISA-N 1 1 321.341 -1.441 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cncn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001383038424 922873027 /nfs/dbraw/zinc/87/30/27/922873027.db2.gz JSJUNQRLUXUXOO-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001383089041 922881491 /nfs/dbraw/zinc/88/14/91/922881491.db2.gz UOPGXEYEXWZDFC-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001383117495 922887110 /nfs/dbraw/zinc/88/71/10/922887110.db2.gz WEZDRODPYCDFMF-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683582 922914968 /nfs/dbraw/zinc/91/49/68/922914968.db2.gz LQSIEOYEOZODQN-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683582 922914981 /nfs/dbraw/zinc/91/49/81/922914981.db2.gz LQSIEOYEOZODQN-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383805697 922924202 /nfs/dbraw/zinc/92/42/02/922924202.db2.gz RAKZXMMCVMTOQS-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857469 922932683 /nfs/dbraw/zinc/93/26/83/922932683.db2.gz GRDFYEHFULDVBK-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857469 922932686 /nfs/dbraw/zinc/93/26/86/922932686.db2.gz GRDFYEHFULDVBK-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857467 922933479 /nfs/dbraw/zinc/93/34/79/922933479.db2.gz GRDFYEHFULDVBK-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857467 922933486 /nfs/dbraw/zinc/93/34/86/922933486.db2.gz GRDFYEHFULDVBK-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn(C)c2)C1 ZINC001383861325 922936225 /nfs/dbraw/zinc/93/62/25/922936225.db2.gz JAUVQCZMOXZUCC-AAEUAGOBSA-N 1 1 323.397 -1.031 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC001383874529 922946411 /nfs/dbraw/zinc/94/64/11/922946411.db2.gz CVLYQGFISQHYRD-SNVBAGLBSA-N 1 1 318.374 -1.724 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383877382 922949025 /nfs/dbraw/zinc/94/90/25/922949025.db2.gz JYRXGCOHNMZDIQ-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001383886491 922954536 /nfs/dbraw/zinc/95/45/36/922954536.db2.gz KESZUORJXCFNSO-GMTAPVOTSA-N 1 1 312.370 -2.048 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CC1(O)CCC1 ZINC001383888345 922955663 /nfs/dbraw/zinc/95/56/63/922955663.db2.gz CBQIYSXZDZEALI-NWDGAFQWSA-N 1 1 313.398 -1.021 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889847 922956735 /nfs/dbraw/zinc/95/67/35/922956735.db2.gz PDGYAXFIQBXUMC-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889847 922956753 /nfs/dbraw/zinc/95/67/53/922956753.db2.gz PDGYAXFIQBXUMC-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891574 922959030 /nfs/dbraw/zinc/95/90/30/922959030.db2.gz VHPAPYHUBDMLPN-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891574 922959041 /nfs/dbraw/zinc/95/90/41/922959041.db2.gz VHPAPYHUBDMLPN-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001383895950 922962041 /nfs/dbraw/zinc/96/20/41/922962041.db2.gz RXKOXMZDXRDVKQ-ZJUUUORDSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383895942 922962447 /nfs/dbraw/zinc/96/24/47/922962447.db2.gz RXKOXMZDXRDVKQ-NXEZZACHSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)c1N ZINC001383897395 922963108 /nfs/dbraw/zinc/96/31/08/922963108.db2.gz UQDIATDZSNXUSD-ONGXEEELSA-N 1 1 324.385 -1.697 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)c1N ZINC001383897390 922963586 /nfs/dbraw/zinc/96/35/86/922963586.db2.gz UQDIATDZSNXUSD-KOLCDFICSA-N 1 1 324.385 -1.697 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001383901155 922965294 /nfs/dbraw/zinc/96/52/94/922965294.db2.gz YWXOGDHJGWTJPE-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCNC(N)=O ZINC001383900250 922966308 /nfs/dbraw/zinc/96/63/08/922966308.db2.gz YCMTZXYMJWEHNA-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O ZINC001383903431 922969521 /nfs/dbraw/zinc/96/95/21/922969521.db2.gz QAWYCSVDOJMLTO-GHMZBOCLSA-N 1 1 301.387 -1.165 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001383923986 922975643 /nfs/dbraw/zinc/97/56/43/922975643.db2.gz GOMAWGQOPWYVJV-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001383916708 922976386 /nfs/dbraw/zinc/97/63/86/922976386.db2.gz CJDAUSWPVYMAJU-YPMHNXCESA-N 1 1 323.397 -1.492 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001383916705 922977492 /nfs/dbraw/zinc/97/74/92/922977492.db2.gz CJDAUSWPVYMAJU-AAEUAGOBSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001383925427 922978860 /nfs/dbraw/zinc/97/88/60/922978860.db2.gz KFBARMAPSMWQGL-SNVBAGLBSA-N 1 1 321.341 -1.854 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001383924802 922979368 /nfs/dbraw/zinc/97/93/68/922979368.db2.gz DJKVLZNPQJKFLO-OUAUKWLOSA-N 1 1 324.385 -1.340 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001383940700 922985511 /nfs/dbraw/zinc/98/55/11/922985511.db2.gz XTBBWOGQLGZGEG-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001383942616 922985825 /nfs/dbraw/zinc/98/58/25/922985825.db2.gz QGOUDTFTJQFZPF-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001383942616 922985829 /nfs/dbraw/zinc/98/58/29/922985829.db2.gz QGOUDTFTJQFZPF-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001383942616 922985836 /nfs/dbraw/zinc/98/58/36/922985836.db2.gz QGOUDTFTJQFZPF-JTQLQIEISA-N 1 1 312.374 -1.719 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001383955528 922989800 /nfs/dbraw/zinc/98/98/00/922989800.db2.gz GSSVSTDRZLTJQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955528 922989816 /nfs/dbraw/zinc/98/98/16/922989816.db2.gz GSSVSTDRZLTJQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955528 922989836 /nfs/dbraw/zinc/98/98/36/922989836.db2.gz GSSVSTDRZLTJQU-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001383972168 922998275 /nfs/dbraw/zinc/99/82/75/922998275.db2.gz KNTXBCBBTVDKJY-IJLUTSLNSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001383972154 922999798 /nfs/dbraw/zinc/99/97/98/922999798.db2.gz KNTXBCBBTVDKJY-GRYCIOLGSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001383978475 923001519 /nfs/dbraw/zinc/00/15/19/923001519.db2.gz DEIPPVDKYXPKQI-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1csnn1 ZINC001383981866 923003819 /nfs/dbraw/zinc/00/38/19/923003819.db2.gz JXGMVMRBQRPUNJ-PSASIEDQSA-N 1 1 313.383 -1.161 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001383981858 923004209 /nfs/dbraw/zinc/00/42/09/923004209.db2.gz VXYMYBYATHTZEU-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383983641 923005926 /nfs/dbraw/zinc/00/59/26/923005926.db2.gz WBFCTQNCRDESLT-ZYHUDNBSSA-N 1 1 309.370 -1.042 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001383982707 923005967 /nfs/dbraw/zinc/00/59/67/923005967.db2.gz UXXPBTMAQREWNS-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(=O)[nH]n1 ZINC001383986077 923008723 /nfs/dbraw/zinc/00/87/23/923008723.db2.gz RNCORSAHIYFNIN-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001384003769 923019951 /nfs/dbraw/zinc/01/99/51/923019951.db2.gz OOEKWJUAKZOUFO-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384006920 923022780 /nfs/dbraw/zinc/02/27/80/923022780.db2.gz FHZRDNPZJTUMBM-ZJUUUORDSA-N 1 1 324.341 -2.534 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)CC1 ZINC001384011699 923024971 /nfs/dbraw/zinc/02/49/71/923024971.db2.gz NCKUCYIGBUQUIX-JTQLQIEISA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384014475 923026382 /nfs/dbraw/zinc/02/63/82/923026382.db2.gz RGKTXXGFLXXMHJ-VHSXEESVSA-N 1 1 315.374 -2.399 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001384021480 923029930 /nfs/dbraw/zinc/02/99/30/923029930.db2.gz LUEBIIQJXKHQQL-HUBLWGQQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001384033764 923035259 /nfs/dbraw/zinc/03/52/59/923035259.db2.gz VUCLJEMPDOMKLT-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1 ZINC001384195828 923051190 /nfs/dbraw/zinc/05/11/90/923051190.db2.gz KBDMQILIUHEKCH-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1 ZINC001384195828 923051201 /nfs/dbraw/zinc/05/12/01/923051201.db2.gz KBDMQILIUHEKCH-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1O ZINC001384195972 923053694 /nfs/dbraw/zinc/05/36/94/923053694.db2.gz NFIDWNSTOHWJHJ-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001384203273 923057525 /nfs/dbraw/zinc/05/75/25/923057525.db2.gz XHQSCBJOBAMNHO-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001384212218 923061717 /nfs/dbraw/zinc/06/17/17/923061717.db2.gz OOHIOUQRXGGZTO-WCQGTBRESA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001384212217 923062136 /nfs/dbraw/zinc/06/21/36/923062136.db2.gz OOHIOUQRXGGZTO-JLLWLGSASA-N 1 1 310.354 -1.086 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228773 923065429 /nfs/dbraw/zinc/06/54/29/923065429.db2.gz ZGKNWBDRPLGCES-STQMWFEESA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228554 923065615 /nfs/dbraw/zinc/06/56/15/923065615.db2.gz XBPPYLZLXZLUNG-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224399 923065970 /nfs/dbraw/zinc/06/59/70/923065970.db2.gz KLWAIGFZWSKWDY-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384224399 923065989 /nfs/dbraw/zinc/06/59/89/923065989.db2.gz KLWAIGFZWSKWDY-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224399 923066006 /nfs/dbraw/zinc/06/60/06/923066006.db2.gz KLWAIGFZWSKWDY-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001384226094 923066232 /nfs/dbraw/zinc/06/62/32/923066232.db2.gz LTURPFULQZTMLS-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239996 923073484 /nfs/dbraw/zinc/07/34/84/923073484.db2.gz LPFSUBDRZPNSHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001384239996 923073500 /nfs/dbraw/zinc/07/35/00/923073500.db2.gz LPFSUBDRZPNSHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239996 923073510 /nfs/dbraw/zinc/07/35/10/923073510.db2.gz LPFSUBDRZPNSHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001384239996 923073529 /nfs/dbraw/zinc/07/35/29/923073529.db2.gz LPFSUBDRZPNSHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239996 923073544 /nfs/dbraw/zinc/07/35/44/923073544.db2.gz LPFSUBDRZPNSHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1ncc[nH]1 ZINC001384255464 923076745 /nfs/dbraw/zinc/07/67/45/923076745.db2.gz LRYHFMNGIPAPES-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1ncc[nH]1 ZINC001384255466 923078341 /nfs/dbraw/zinc/07/83/41/923078341.db2.gz LRYHFMNGIPAPES-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001384250933 923078894 /nfs/dbraw/zinc/07/88/94/923078894.db2.gz ALNGXMQDFKZYIQ-JTQLQIEISA-N 1 1 324.385 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1O ZINC001384819356 923127196 /nfs/dbraw/zinc/12/71/96/923127196.db2.gz RZBBSTUVIMDVIH-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001384819356 923127206 /nfs/dbraw/zinc/12/72/06/923127206.db2.gz RZBBSTUVIMDVIH-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001384819356 923127214 /nfs/dbraw/zinc/12/72/14/923127214.db2.gz RZBBSTUVIMDVIH-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001384828523 923129039 /nfs/dbraw/zinc/12/90/39/923129039.db2.gz VRKBCRHLKSYAPT-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001384852828 923131599 /nfs/dbraw/zinc/13/15/99/923131599.db2.gz LEZGHDFTSOTDBC-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001385117731 923146033 /nfs/dbraw/zinc/14/60/33/923146033.db2.gz UARUUGXQJHEMRI-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001385116200 923146257 /nfs/dbraw/zinc/14/62/57/923146257.db2.gz PWBDABBPBRKSRM-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001385330654 923166917 /nfs/dbraw/zinc/16/69/17/923166917.db2.gz FTLLURFAPBEZGF-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCC(=O)NCCN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001385512962 923176195 /nfs/dbraw/zinc/17/61/95/923176195.db2.gz TXGQXSSKYCZWHH-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC(=O)NCCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001385512962 923176207 /nfs/dbraw/zinc/17/62/07/923176207.db2.gz TXGQXSSKYCZWHH-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC001385578188 923184782 /nfs/dbraw/zinc/18/47/82/923184782.db2.gz JOKLOSKOUYRDNL-GHMZBOCLSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NC(=O)CNC(N)=O)C2CC2)C1 ZINC001385731206 923199899 /nfs/dbraw/zinc/19/98/99/923199899.db2.gz VQWUKANYKSDMGS-MNOVXSKESA-N 1 1 311.386 -1.383 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](NC(=O)Cn2ncnn2)C2CC2)C1 ZINC001385878905 923211022 /nfs/dbraw/zinc/21/10/22/923211022.db2.gz PLQBXPBCCGGJST-RYUDHWBXSA-N 1 1 321.385 -1.364 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385887403 923211132 /nfs/dbraw/zinc/21/11/32/923211132.db2.gz YIXAMFDHJROMSD-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NC(=O)Cn2ncnn2)C2CC2)C1 ZINC001385878903 923211915 /nfs/dbraw/zinc/21/19/15/923211915.db2.gz PLQBXPBCCGGJST-NEPJUHHUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001386053254 923222690 /nfs/dbraw/zinc/22/26/90/923222690.db2.gz PLHJTXGWKBIJHY-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001386053254 923222706 /nfs/dbraw/zinc/22/27/06/923222706.db2.gz PLHJTXGWKBIJHY-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386077322 923225801 /nfs/dbraw/zinc/22/58/01/923225801.db2.gz QANLDQPTGMCWRY-RMRHIDDWSA-N 1 1 322.409 -1.011 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001386060480 923225919 /nfs/dbraw/zinc/22/59/19/923225919.db2.gz NBGJJOCBWGHJHX-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1 ZINC001386103698 923228514 /nfs/dbraw/zinc/22/85/14/923228514.db2.gz JUYZMZKCSNSCEB-DCQANWLSSA-N 1 1 323.397 -1.431 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001386163872 923237952 /nfs/dbraw/zinc/23/79/52/923237952.db2.gz JTKHOMCGOLEDIU-DCAQKATOSA-N 1 1 311.386 -1.227 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001386190118 923243148 /nfs/dbraw/zinc/24/31/48/923243148.db2.gz OCPGSASFEIWELC-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001386279332 923252797 /nfs/dbraw/zinc/25/27/97/923252797.db2.gz VMIXZWXIOLHRHJ-VHSXEESVSA-N 1 1 305.400 -1.396 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305404 923255873 /nfs/dbraw/zinc/25/58/73/923255873.db2.gz CLRVBCQWOGGGHD-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305404 923255891 /nfs/dbraw/zinc/25/58/91/923255891.db2.gz CLRVBCQWOGGGHD-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305407 923255971 /nfs/dbraw/zinc/25/59/71/923255971.db2.gz CLRVBCQWOGGGHD-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305407 923255990 /nfs/dbraw/zinc/25/59/90/923255990.db2.gz CLRVBCQWOGGGHD-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001386383229 923263848 /nfs/dbraw/zinc/26/38/48/923263848.db2.gz TXUQCQCVIIZXIN-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001386498824 923275415 /nfs/dbraw/zinc/27/54/15/923275415.db2.gz ZQVAXWQGBIUSPE-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386501511 923276078 /nfs/dbraw/zinc/27/60/78/923276078.db2.gz NLNYQXQIVNBNHT-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386501511 923276091 /nfs/dbraw/zinc/27/60/91/923276091.db2.gz NLNYQXQIVNBNHT-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386502134 923277557 /nfs/dbraw/zinc/27/75/57/923277557.db2.gz QYTVNAWYUQJCRV-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386655570 923291816 /nfs/dbraw/zinc/29/18/16/923291816.db2.gz LTMODLNJJWWRFU-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386655570 923291827 /nfs/dbraw/zinc/29/18/27/923291827.db2.gz LTMODLNJJWWRFU-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386655564 923292917 /nfs/dbraw/zinc/29/29/17/923292917.db2.gz LTMODLNJJWWRFU-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386655564 923292926 /nfs/dbraw/zinc/29/29/26/923292926.db2.gz LTMODLNJJWWRFU-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO Cc1c(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001386705688 923299649 /nfs/dbraw/zinc/29/96/49/923299649.db2.gz UVCCFROCBUECRD-KOLCDFICSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001386705688 923299665 /nfs/dbraw/zinc/29/96/65/923299665.db2.gz UVCCFROCBUECRD-KOLCDFICSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704488 923300513 /nfs/dbraw/zinc/30/05/13/923300513.db2.gz PAPANFRLFDRHKE-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704488 923300532 /nfs/dbraw/zinc/30/05/32/923300532.db2.gz PAPANFRLFDRHKE-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704485 923300603 /nfs/dbraw/zinc/30/06/03/923300603.db2.gz PAPANFRLFDRHKE-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704485 923300625 /nfs/dbraw/zinc/30/06/25/923300625.db2.gz PAPANFRLFDRHKE-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703612 923300656 /nfs/dbraw/zinc/30/06/56/923300656.db2.gz GKRFFRBXPARQIM-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703612 923300672 /nfs/dbraw/zinc/30/06/72/923300672.db2.gz GKRFFRBXPARQIM-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703611 923300756 /nfs/dbraw/zinc/30/07/56/923300756.db2.gz GKRFFRBXPARQIM-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703611 923300773 /nfs/dbraw/zinc/30/07/73/923300773.db2.gz GKRFFRBXPARQIM-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386793402 923309527 /nfs/dbraw/zinc/30/95/27/923309527.db2.gz NFGJEUXKXZORIH-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386793402 923309543 /nfs/dbraw/zinc/30/95/43/923309543.db2.gz NFGJEUXKXZORIH-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CCn1cnnn1 ZINC001386829021 923313797 /nfs/dbraw/zinc/31/37/97/923313797.db2.gz LIUHDMVMANRFOS-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829715 923314494 /nfs/dbraw/zinc/31/44/94/923314494.db2.gz XQDGSRQYJQEYBX-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829715 923314506 /nfs/dbraw/zinc/31/45/06/923314506.db2.gz XQDGSRQYJQEYBX-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386865285 923321902 /nfs/dbraw/zinc/32/19/02/923321902.db2.gz SGLLVAFFVFWBIL-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386865285 923321912 /nfs/dbraw/zinc/32/19/12/923321912.db2.gz SGLLVAFFVFWBIL-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001386890516 923324180 /nfs/dbraw/zinc/32/41/80/923324180.db2.gz PAXMTMURPDBOTP-SNVBAGLBSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001386965606 923334942 /nfs/dbraw/zinc/33/49/42/923334942.db2.gz QOKRDRRTRHXFJC-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386967341 923336733 /nfs/dbraw/zinc/33/67/33/923336733.db2.gz AOSQCDNLTBHETK-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386967341 923336746 /nfs/dbraw/zinc/33/67/46/923336746.db2.gz AOSQCDNLTBHETK-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387025717 923343879 /nfs/dbraw/zinc/34/38/79/923343879.db2.gz VBMPQITVMNIQOX-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387025717 923343887 /nfs/dbraw/zinc/34/38/87/923343887.db2.gz VBMPQITVMNIQOX-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)CCn1cnnn1 ZINC001387066222 923352151 /nfs/dbraw/zinc/35/21/51/923352151.db2.gz WQBHVUFAVJZWQU-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO CCN(CCNC(=O)[C@H](C)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387186351 923364165 /nfs/dbraw/zinc/36/41/65/923364165.db2.gz SLOYEHBZSSICQB-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(CCNC(=O)[C@H](C)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387186348 923365005 /nfs/dbraw/zinc/36/50/05/923365005.db2.gz SLOYEHBZSSICQB-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387230084 923368607 /nfs/dbraw/zinc/36/86/07/923368607.db2.gz LLNLLEVPMDBTOC-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CCN(CCNC(=O)c1cnon1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387282746 923369476 /nfs/dbraw/zinc/36/94/76/923369476.db2.gz YONSSWXJLDRSDZ-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CCN(CCNC(=O)c1cnon1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387282746 923369491 /nfs/dbraw/zinc/36/94/91/923369491.db2.gz YONSSWXJLDRSDZ-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001387280733 923371035 /nfs/dbraw/zinc/37/10/35/923371035.db2.gz NDTKMQJGKYOEDI-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)c1cnon1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387282741 923371168 /nfs/dbraw/zinc/37/11/68/923371168.db2.gz YONSSWXJLDRSDZ-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CCN(CCNC(=O)c1cnon1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387282741 923371182 /nfs/dbraw/zinc/37/11/82/923371182.db2.gz YONSSWXJLDRSDZ-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC001387650630 923388761 /nfs/dbraw/zinc/38/87/61/923388761.db2.gz GJOCLFCESQZVAC-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001387732681 923405754 /nfs/dbraw/zinc/40/57/54/923405754.db2.gz MWAMZDWYPRWXSV-UHFFFAOYSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001387756097 923411944 /nfs/dbraw/zinc/41/19/44/923411944.db2.gz IOKQWWRENTXOBU-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001387759096 923414536 /nfs/dbraw/zinc/41/45/36/923414536.db2.gz BGSIDABCGSHAJO-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001387787492 923420147 /nfs/dbraw/zinc/42/01/47/923420147.db2.gz NJBOZVFUNAWOEU-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC001387790550 923420298 /nfs/dbraw/zinc/42/02/98/923420298.db2.gz NJXZNXWTCJBCSR-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001387804065 923423632 /nfs/dbraw/zinc/42/36/32/923423632.db2.gz SVJDUARHHLTUNN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001387874567 923437776 /nfs/dbraw/zinc/43/77/76/923437776.db2.gz QCKGVFPIUXNUNU-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001387903227 923440639 /nfs/dbraw/zinc/44/06/39/923440639.db2.gz VPOIQGRFFZVQMF-NEPJUHHUSA-N 1 1 319.365 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001387955518 923449090 /nfs/dbraw/zinc/44/90/90/923449090.db2.gz LGZQHRZLZHYYGK-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001387955552 923449427 /nfs/dbraw/zinc/44/94/27/923449427.db2.gz MAMUPSQEGLBULB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001387955521 923450048 /nfs/dbraw/zinc/45/00/48/923450048.db2.gz LGZQHRZLZHYYGK-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043970 923459132 /nfs/dbraw/zinc/45/91/32/923459132.db2.gz USYYIBYHRXPGQH-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043970 923459144 /nfs/dbraw/zinc/45/91/44/923459144.db2.gz USYYIBYHRXPGQH-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)CNC(N)=O ZINC001388143210 923464670 /nfs/dbraw/zinc/46/46/70/923464670.db2.gz NVKLLQURNYDLNO-SNVBAGLBSA-N 1 1 310.358 -1.129 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001388186304 923467948 /nfs/dbraw/zinc/46/79/48/923467948.db2.gz FUMSFFKOVPFBEY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388426214 923480495 /nfs/dbraw/zinc/48/04/95/923480495.db2.gz UTECHYBSUOGDBD-NWDGAFQWSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388426214 923480504 /nfs/dbraw/zinc/48/05/04/923480504.db2.gz UTECHYBSUOGDBD-NWDGAFQWSA-N 1 1 324.385 -1.523 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)CNC(N)=O ZINC001388450904 923482212 /nfs/dbraw/zinc/48/22/12/923482212.db2.gz MVOYVRYLIFPCPV-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCF ZINC001388640366 923488579 /nfs/dbraw/zinc/48/85/79/923488579.db2.gz PDBYKSJYTPVWCV-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCCF ZINC001388640377 923490129 /nfs/dbraw/zinc/49/01/29/923490129.db2.gz PDBYKSJYTPVWCV-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001388664718 923492376 /nfs/dbraw/zinc/49/23/76/923492376.db2.gz YVCDZMPGOBHFFR-INTQDDNPSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001388698306 923494970 /nfs/dbraw/zinc/49/49/70/923494970.db2.gz SOUBZMRHINZBOQ-UPJWGTAASA-N 1 1 312.414 -1.076 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388764893 923497978 /nfs/dbraw/zinc/49/79/78/923497978.db2.gz OPGOBTKXRAZUNI-ZJUUUORDSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778321 923498381 /nfs/dbraw/zinc/49/83/81/923498381.db2.gz NSRHWQGWZSENIY-NWDGAFQWSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778321 923498396 /nfs/dbraw/zinc/49/83/96/923498396.db2.gz NSRHWQGWZSENIY-NWDGAFQWSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1)C(N)=O ZINC001388760331 923498454 /nfs/dbraw/zinc/49/84/54/923498454.db2.gz DUMGVXUVLMCIKI-SCZZXKLOSA-N 1 1 323.353 -1.059 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001388775482 923500315 /nfs/dbraw/zinc/50/03/15/923500315.db2.gz GNPMAZXGVLIJIN-LBPRGKRZSA-N 1 1 310.354 -1.012 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001388775482 923500324 /nfs/dbraw/zinc/50/03/24/923500324.db2.gz GNPMAZXGVLIJIN-LBPRGKRZSA-N 1 1 310.354 -1.012 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001388766513 923501053 /nfs/dbraw/zinc/50/10/53/923501053.db2.gz GMADOXSIMAPURP-QCNOEVLYSA-N 1 1 324.381 -1.004 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001388836451 923502435 /nfs/dbraw/zinc/50/24/35/923502435.db2.gz KKFVSLVCTOAJLV-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H]1C ZINC001388820950 923502683 /nfs/dbraw/zinc/50/26/83/923502683.db2.gz HLDIDYKQGLVYFG-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@H]1C ZINC001388820950 923502696 /nfs/dbraw/zinc/50/26/96/923502696.db2.gz HLDIDYKQGLVYFG-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)N1CCC([N@@H+](CCO)CC(=O)NC(N)=O)CC1 ZINC001388832492 923502776 /nfs/dbraw/zinc/50/27/76/923502776.db2.gz HGSGTIPGYOSNOG-UHFFFAOYSA-N 1 1 316.358 -1.887 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001388790060 923503303 /nfs/dbraw/zinc/50/33/03/923503303.db2.gz PHRQSOHEUMHLCL-MNOVXSKESA-N 1 1 320.415 -2.187 20 0 DAADMO CN1C[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC(N)=O)NC1=O ZINC001388833282 923503326 /nfs/dbraw/zinc/50/33/26/923503326.db2.gz CFYRIPMJZSJJIK-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(N)=O)NC1=O ZINC001388833282 923503336 /nfs/dbraw/zinc/50/33/36/923503336.db2.gz CFYRIPMJZSJJIK-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001388822202 923503750 /nfs/dbraw/zinc/50/37/50/923503750.db2.gz KNHFNILFDHSJGM-WOPDTQHZSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CC(=O)NC(N)=O ZINC001388783635 923503802 /nfs/dbraw/zinc/50/38/02/923503802.db2.gz HXNDXBHQIZKWTF-VWYCJHECSA-N 1 1 311.386 -1.288 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001388961079 923506806 /nfs/dbraw/zinc/50/68/06/923506806.db2.gz IKRWZFOIXAPBBK-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001388979470 923510242 /nfs/dbraw/zinc/51/02/42/923510242.db2.gz AZNWJEBTBNMQIO-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)C(=O)Cn1cnnn1 ZINC001388963757 923510591 /nfs/dbraw/zinc/51/05/91/923510591.db2.gz RSUMDKGELQOLKB-UHFFFAOYSA-N 1 1 320.357 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059419 923522405 /nfs/dbraw/zinc/52/24/05/923522405.db2.gz MYFPUMCQMVEKCF-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059419 923522416 /nfs/dbraw/zinc/52/24/16/923522416.db2.gz MYFPUMCQMVEKCF-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2cnnn2)C1 ZINC001389061826 923524459 /nfs/dbraw/zinc/52/44/59/923524459.db2.gz MVJAQDWOPLBPRW-NXEZZACHSA-N 1 1 311.346 -2.782 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)CNC(C)=O ZINC001389065464 923526496 /nfs/dbraw/zinc/52/64/96/923526496.db2.gz VUSFGDLKFCMKCL-LLVKDONJSA-N 1 1 316.402 -1.554 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C1 ZINC001389070781 923531077 /nfs/dbraw/zinc/53/10/77/923531077.db2.gz GWYUXCMLDRAGEA-UWVGGRQHSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001389081087 923538357 /nfs/dbraw/zinc/53/83/57/923538357.db2.gz WTMQJCYUJPZIFT-QWRGUYRKSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001389081091 923538917 /nfs/dbraw/zinc/53/89/17/923538917.db2.gz WTMQJCYUJPZIFT-WDEREUQCSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081287 923539181 /nfs/dbraw/zinc/53/91/81/923539181.db2.gz WVJDDJIILFZLCR-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081287 923539199 /nfs/dbraw/zinc/53/91/99/923539199.db2.gz WVJDDJIILFZLCR-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081957 923542271 /nfs/dbraw/zinc/54/22/71/923542271.db2.gz ZKVJVADARZRMFZ-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081957 923542285 /nfs/dbraw/zinc/54/22/85/923542285.db2.gz ZKVJVADARZRMFZ-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2csnn2)C1 ZINC001389091650 923545998 /nfs/dbraw/zinc/54/59/98/923545998.db2.gz CWPKGJCGOYARSR-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC2(O)CCC2)C1 ZINC001389095611 923550356 /nfs/dbraw/zinc/55/03/56/923550356.db2.gz RPRLNWGJGLWTRX-VXGBXAGGSA-N 1 1 313.398 -1.164 20 0 DAADMO CCC[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389095909 923550867 /nfs/dbraw/zinc/55/08/67/923550867.db2.gz ILJQNSUBLGZGPZ-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CCC[NH+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389095909 923550876 /nfs/dbraw/zinc/55/08/76/923550876.db2.gz ILJQNSUBLGZGPZ-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001389100719 923552103 /nfs/dbraw/zinc/55/21/03/923552103.db2.gz FXCLAVFLVYHOEJ-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001389104828 923555270 /nfs/dbraw/zinc/55/52/70/923555270.db2.gz CHRDGSOYVUGDBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104828 923555277 /nfs/dbraw/zinc/55/52/77/923555277.db2.gz CHRDGSOYVUGDBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104828 923555286 /nfs/dbraw/zinc/55/52/86/923555286.db2.gz CHRDGSOYVUGDBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO COCC1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001389106509 923556260 /nfs/dbraw/zinc/55/62/60/923556260.db2.gz RDYXZOAVIREVLD-NEPJUHHUSA-N 1 1 313.398 -1.042 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001389109909 923558524 /nfs/dbraw/zinc/55/85/24/923558524.db2.gz UFTMHMGDMAMWHJ-ONGXEEELSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001389120321 923563265 /nfs/dbraw/zinc/56/32/65/923563265.db2.gz SZTDYESHIICQPY-WDEREUQCSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001389121550 923563391 /nfs/dbraw/zinc/56/33/91/923563391.db2.gz XJSYORYYCNNAGL-WDEREUQCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCn1cncn1 ZINC001389141635 923567976 /nfs/dbraw/zinc/56/79/76/923567976.db2.gz WDWIOUYHWDSAJS-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCn1cncn1 ZINC001389141635 923567987 /nfs/dbraw/zinc/56/79/87/923567987.db2.gz WDWIOUYHWDSAJS-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001389147883 923568791 /nfs/dbraw/zinc/56/87/91/923568791.db2.gz UBXJXOBXPQDEOM-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001389144137 923569793 /nfs/dbraw/zinc/56/97/93/923569793.db2.gz KOBVFMKAALRMKB-SNVBAGLBSA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001389144137 923569810 /nfs/dbraw/zinc/56/98/10/923569810.db2.gz KOBVFMKAALRMKB-SNVBAGLBSA-N 1 1 319.383 -2.311 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001389182457 923577598 /nfs/dbraw/zinc/57/75/98/923577598.db2.gz CUWZNWYKIWEWIQ-SECBINFHSA-N 1 1 321.341 -1.190 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001389190657 923579585 /nfs/dbraw/zinc/57/95/85/923579585.db2.gz BTYAPGOWCRCCCC-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CC3(O)CCC3)C2)C1 ZINC001389187904 923579652 /nfs/dbraw/zinc/57/96/52/923579652.db2.gz LCPXWKVNALFRGF-GFCCVEGCSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CC3(O)CCC3)C2)C1 ZINC001389187904 923579657 /nfs/dbraw/zinc/57/96/57/923579657.db2.gz LCPXWKVNALFRGF-GFCCVEGCSA-N 1 1 311.382 -1.051 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001389214177 923584261 /nfs/dbraw/zinc/58/42/61/923584261.db2.gz HEKHBWBRWPBVID-UHFFFAOYSA-N 1 1 317.411 -1.300 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389213158 923584789 /nfs/dbraw/zinc/58/47/89/923584789.db2.gz VKTSXCGRLUMLJF-JTQLQIEISA-N 1 1 318.399 -2.043 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389227708 923586810 /nfs/dbraw/zinc/58/68/10/923586810.db2.gz GGRUQBMYKYPPJR-SCZZXKLOSA-N 1 1 308.342 -1.506 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001389246027 923590242 /nfs/dbraw/zinc/59/02/42/923590242.db2.gz XKPZPUHRBSTCLF-SNVBAGLBSA-N 1 1 312.374 -1.054 20 0 DAADMO CC(=O)NCC(=O)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001389302293 923596777 /nfs/dbraw/zinc/59/67/77/923596777.db2.gz FLVSXKNWYORGDQ-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389349987 923607152 /nfs/dbraw/zinc/60/71/52/923607152.db2.gz DQAPEMUPJMVTMI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CCn3cnnn3)C2)C1 ZINC001389380210 923609189 /nfs/dbraw/zinc/60/91/89/923609189.db2.gz BJYUKMHORDYWKL-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)CCn1cnnn1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001389364871 923610294 /nfs/dbraw/zinc/61/02/94/923610294.db2.gz XSALSWXALPSWRG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001389377486 923610463 /nfs/dbraw/zinc/61/04/63/923610463.db2.gz GDHAXYLMLQIRHS-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001389377486 923610478 /nfs/dbraw/zinc/61/04/78/923610478.db2.gz GDHAXYLMLQIRHS-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001389433821 923621164 /nfs/dbraw/zinc/62/11/64/923621164.db2.gz GCVZUFXTRZYCOP-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001389433821 923621173 /nfs/dbraw/zinc/62/11/73/923621173.db2.gz GCVZUFXTRZYCOP-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001389432834 923621213 /nfs/dbraw/zinc/62/12/13/923621213.db2.gz CYZZRAVWWCTEQN-ZIAGYGMSSA-N 1 1 323.441 -1.440 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001389432832 923621871 /nfs/dbraw/zinc/62/18/71/923621871.db2.gz CYZZRAVWWCTEQN-KGLIPLIRSA-N 1 1 323.441 -1.440 20 0 DAADMO O=C(NCCN1CC[NH+]([C@H]2CCCNC2=O)CC1)c1cnon1 ZINC001389434740 923622755 /nfs/dbraw/zinc/62/27/55/923622755.db2.gz FRRJSNMWTVCFOM-LBPRGKRZSA-N 1 1 322.369 -1.304 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001389433833 923623559 /nfs/dbraw/zinc/62/35/59/923623559.db2.gz GCVZUFXTRZYCOP-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001389433833 923623568 /nfs/dbraw/zinc/62/35/68/923623568.db2.gz GCVZUFXTRZYCOP-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451634 923625219 /nfs/dbraw/zinc/62/52/19/923625219.db2.gz OSKONEHZMBLKIL-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451634 923625229 /nfs/dbraw/zinc/62/52/29/923625229.db2.gz OSKONEHZMBLKIL-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001389462243 923629174 /nfs/dbraw/zinc/62/91/74/923629174.db2.gz HFLCMEUBSQIPJP-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001389461965 923630455 /nfs/dbraw/zinc/63/04/55/923630455.db2.gz NFXGOCJYDHCLDP-NSHDSACASA-N 1 1 324.389 -1.429 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001389461965 923630462 /nfs/dbraw/zinc/63/04/62/923630462.db2.gz NFXGOCJYDHCLDP-NSHDSACASA-N 1 1 324.389 -1.429 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001389475424 923633051 /nfs/dbraw/zinc/63/30/51/923633051.db2.gz DTWMEJMKZIYQDH-VHSXEESVSA-N 1 1 318.399 -1.866 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001389475424 923633065 /nfs/dbraw/zinc/63/30/65/923633065.db2.gz DTWMEJMKZIYQDH-VHSXEESVSA-N 1 1 318.399 -1.866 20 0 DAADMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001389482503 923636734 /nfs/dbraw/zinc/63/67/34/923636734.db2.gz NWBURERGJGCFFB-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1)C1CC1 ZINC001389496403 923637926 /nfs/dbraw/zinc/63/79/26/923637926.db2.gz BLGNJAFWJSPWLS-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1)C1CC1 ZINC001389496403 923637953 /nfs/dbraw/zinc/63/79/53/923637953.db2.gz BLGNJAFWJSPWLS-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001389526072 923642402 /nfs/dbraw/zinc/64/24/02/923642402.db2.gz OKWBCGPXAGJMPF-SRVKXCTJSA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001389521073 923643427 /nfs/dbraw/zinc/64/34/27/923643427.db2.gz IOBLHYUZAPVQPZ-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001389589486 923651199 /nfs/dbraw/zinc/65/11/99/923651199.db2.gz FALOZBAAXFYHGR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001389589525 923651933 /nfs/dbraw/zinc/65/19/33/923651933.db2.gz FALOZBAAXFYHGR-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)C1(NC(N)=O)CC1 ZINC001389620296 923655387 /nfs/dbraw/zinc/65/53/87/923655387.db2.gz CDBPNNFJUULYTK-GHMZBOCLSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389633981 923657543 /nfs/dbraw/zinc/65/75/43/923657543.db2.gz ZHHBFZYDAGPRIC-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389633981 923657554 /nfs/dbraw/zinc/65/75/54/923657554.db2.gz ZHHBFZYDAGPRIC-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001389682918 923666315 /nfs/dbraw/zinc/66/63/15/923666315.db2.gz DAVXLYCWMWTBJC-VHSXEESVSA-N 1 1 307.358 -1.527 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001389714388 923669199 /nfs/dbraw/zinc/66/91/99/923669199.db2.gz BBUGOAYYMNRTQS-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001389714384 923669606 /nfs/dbraw/zinc/66/96/06/923669606.db2.gz BBUGOAYYMNRTQS-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001389800776 923679485 /nfs/dbraw/zinc/67/94/85/923679485.db2.gz XJBOSAKYQLNBDE-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001389785271 923681162 /nfs/dbraw/zinc/68/11/62/923681162.db2.gz YRQWWBDUSKGQND-KOLCDFICSA-N 1 1 322.369 -1.013 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)NC1CCOCC1 ZINC001389856585 923689075 /nfs/dbraw/zinc/68/90/75/923689075.db2.gz HBJIROKVDNGBHL-XYPYZODXSA-N 1 1 322.369 -1.050 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001389848262 923689679 /nfs/dbraw/zinc/68/96/79/923689679.db2.gz KNONNSLTLLJDSA-UHFFFAOYSA-N 1 1 308.342 -1.375 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001389851315 923689786 /nfs/dbraw/zinc/68/97/86/923689786.db2.gz RPSYALABOYZHRO-MGCOHNPYSA-N 1 1 309.374 -1.137 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)CS(C)(=O)=O)CC2)C1 ZINC001389860147 923690428 /nfs/dbraw/zinc/69/04/28/923690428.db2.gz XUSYDSKAFQDQPI-SNVBAGLBSA-N 1 1 317.411 -1.252 20 0 DAADMO CN1C[C@H](C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001389848684 923690891 /nfs/dbraw/zinc/69/08/91/923690891.db2.gz DMABBGZAQJGUHP-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001389895456 923695943 /nfs/dbraw/zinc/69/59/43/923695943.db2.gz KBKFDZRDXKOQLD-WDEREUQCSA-N 1 1 323.397 -1.083 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001389903374 923696548 /nfs/dbraw/zinc/69/65/48/923696548.db2.gz BMSCRIUCCVMWRA-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001389941968 923700009 /nfs/dbraw/zinc/70/00/09/923700009.db2.gz NZRJFRCWTLQDQA-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC001389949991 923701223 /nfs/dbraw/zinc/70/12/23/923701223.db2.gz JVRHXQJGCZAPMV-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001389986814 923704885 /nfs/dbraw/zinc/70/48/85/923704885.db2.gz VIXFXGNQYMYBFE-LPEHRKFASA-N 1 1 315.399 -1.015 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001389975883 923705491 /nfs/dbraw/zinc/70/54/91/923705491.db2.gz HRDVHMLOVOWIEP-AOOOYVTPSA-N 1 1 311.342 -1.041 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001390001745 923708745 /nfs/dbraw/zinc/70/87/45/923708745.db2.gz FGNYGAWCFROVMH-GRYCIOLGSA-N 1 1 319.369 -1.158 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001390016711 923711412 /nfs/dbraw/zinc/71/14/12/923711412.db2.gz URYSVZCLQGUCFQ-AOOOYVTPSA-N 1 1 302.356 -1.039 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001390026345 923711641 /nfs/dbraw/zinc/71/16/41/923711641.db2.gz AZRPFEJAWKKUGU-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001390037053 923713725 /nfs/dbraw/zinc/71/37/25/923713725.db2.gz LYKTVBYIEPBPJA-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390063253 923714127 /nfs/dbraw/zinc/71/41/27/923714127.db2.gz JXRGXKHURQOSMC-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390063253 923714146 /nfs/dbraw/zinc/71/41/46/923714146.db2.gz JXRGXKHURQOSMC-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001390051038 923714204 /nfs/dbraw/zinc/71/42/04/923714204.db2.gz UXPHRNFQTSYGHP-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390122785 923719168 /nfs/dbraw/zinc/71/91/68/923719168.db2.gz IJUDHDPUYMAWJI-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001390106645 923719328 /nfs/dbraw/zinc/71/93/28/923719328.db2.gz MNMCROBCKJDAIB-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001390106645 923719340 /nfs/dbraw/zinc/71/93/40/923719340.db2.gz MNMCROBCKJDAIB-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001390211336 923725197 /nfs/dbraw/zinc/72/51/97/923725197.db2.gz IECRMILQBSVDFX-YFVNTRNASA-N 1 1 308.382 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001390211336 923725207 /nfs/dbraw/zinc/72/52/07/923725207.db2.gz IECRMILQBSVDFX-YFVNTRNASA-N 1 1 308.382 -1.320 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001390211322 923725460 /nfs/dbraw/zinc/72/54/60/923725460.db2.gz IECRMILQBSVDFX-VLLVSFFDSA-N 1 1 308.382 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001390211322 923725476 /nfs/dbraw/zinc/72/54/76/923725476.db2.gz IECRMILQBSVDFX-VLLVSFFDSA-N 1 1 308.382 -1.320 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001390211274 923727054 /nfs/dbraw/zinc/72/70/54/923727054.db2.gz CMHGYLSTANCBCF-KKJSVHSVSA-N 1 1 319.427 -1.259 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C1CC1 ZINC001390349610 923728478 /nfs/dbraw/zinc/72/84/78/923728478.db2.gz ZUARANZIAVHHTE-SFYZADRCSA-N 1 1 310.362 -1.341 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001390340480 923730082 /nfs/dbraw/zinc/73/00/82/923730082.db2.gz HNMCPLOFJIXCPX-IUCAKERBSA-N 1 1 312.378 -1.266 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)c1ncccc1O ZINC001390346200 923730323 /nfs/dbraw/zinc/73/03/23/923730323.db2.gz RXTZBUNPOPPKRZ-QMMMGPOBSA-N 1 1 309.326 -1.049 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001390367696 923731122 /nfs/dbraw/zinc/73/11/22/923731122.db2.gz ATYIUAVIFJXUHQ-SECBINFHSA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001390390849 923731955 /nfs/dbraw/zinc/73/19/55/923731955.db2.gz DADIYHHDJIOZFR-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001390362139 923732552 /nfs/dbraw/zinc/73/25/52/923732552.db2.gz MSPYBFDUQKHQOY-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001390397952 923735030 /nfs/dbraw/zinc/73/50/30/923735030.db2.gz JNIHDSPRHHQLBX-QMMMGPOBSA-N 1 1 306.330 -1.788 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001390414616 923739778 /nfs/dbraw/zinc/73/97/78/923739778.db2.gz LOSOFRPHGHBUSK-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO COCC(=O)N1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001390436175 923741708 /nfs/dbraw/zinc/74/17/08/923741708.db2.gz FFDDEDSTOZAVJM-AWEZNQCLSA-N 1 1 310.354 -1.082 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001390464904 923747253 /nfs/dbraw/zinc/74/72/53/923747253.db2.gz DNTGTGUGMGMLPA-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1nnnn1C ZINC001390470627 923747313 /nfs/dbraw/zinc/74/73/13/923747313.db2.gz DOOIGJATABXNSE-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001390463976 923747374 /nfs/dbraw/zinc/74/73/74/923747374.db2.gz WGCVIXSBUCBBBP-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncccn1 ZINC001390478554 923747613 /nfs/dbraw/zinc/74/76/13/923747613.db2.gz IENWQVUZVAJNBH-BDAKNGLRSA-N 1 1 306.326 -1.331 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nccn1C ZINC001390465577 923748377 /nfs/dbraw/zinc/74/83/77/923748377.db2.gz ZUIRLVFNJHYAJM-LLVKDONJSA-N 1 1 308.386 -1.554 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001390463977 923749176 /nfs/dbraw/zinc/74/91/76/923749176.db2.gz WGCVIXSBUCBBBP-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnnn1C1CC1 ZINC001390526169 923750859 /nfs/dbraw/zinc/75/08/59/923750859.db2.gz QPDPKFQRQHZBIV-VIFPVBQESA-N 1 1 305.346 -1.106 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnnn1C1CC1 ZINC001390526168 923752523 /nfs/dbraw/zinc/75/25/23/923752523.db2.gz QPDPKFQRQHZBIV-SECBINFHSA-N 1 1 305.346 -1.106 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001390516130 923752799 /nfs/dbraw/zinc/75/27/99/923752799.db2.gz XODVCICILXKHHM-NXEZZACHSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cn(C)nn1 ZINC001390539120 923753913 /nfs/dbraw/zinc/75/39/13/923753913.db2.gz PPUANBUADVKDEW-SECBINFHSA-N 1 1 307.358 -1.240 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001390528801 923755835 /nfs/dbraw/zinc/75/58/35/923755835.db2.gz WRCQCMFEBNZVQN-MRVPVSSYSA-N 1 1 319.387 -1.136 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001390623195 923763580 /nfs/dbraw/zinc/76/35/80/923763580.db2.gz PDEHOZMLOKVIFR-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001390623195 923763591 /nfs/dbraw/zinc/76/35/91/923763591.db2.gz PDEHOZMLOKVIFR-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001390619128 923765074 /nfs/dbraw/zinc/76/50/74/923765074.db2.gz LYPMMLKTLANPDN-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@H](CCNC(=O)CN1CCOCC1)[NH2+]Cc1nnn(C)n1 ZINC001390663015 923766659 /nfs/dbraw/zinc/76/66/59/923766659.db2.gz HONAEYWKFJRFJW-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652797 923766954 /nfs/dbraw/zinc/76/69/54/923766954.db2.gz JAHVIQZCBQYPKN-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652797 923766970 /nfs/dbraw/zinc/76/69/70/923766970.db2.gz JAHVIQZCBQYPKN-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625528 923767027 /nfs/dbraw/zinc/76/70/27/923767027.db2.gz NQQSWQCYSCXBHD-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625528 923767033 /nfs/dbraw/zinc/76/70/33/923767033.db2.gz NQQSWQCYSCXBHD-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001390636093 923767826 /nfs/dbraw/zinc/76/78/26/923767826.db2.gz KMENCPQRZCOXGK-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001390636093 923767838 /nfs/dbraw/zinc/76/78/38/923767838.db2.gz KMENCPQRZCOXGK-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390758554 923771958 /nfs/dbraw/zinc/77/19/58/923771958.db2.gz QIEACUZPRSIRGC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390758554 923771968 /nfs/dbraw/zinc/77/19/68/923771968.db2.gz QIEACUZPRSIRGC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390753663 923772309 /nfs/dbraw/zinc/77/23/09/923772309.db2.gz IYLDSWCFDHWNDU-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cn(C)nc1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390753663 923772324 /nfs/dbraw/zinc/77/23/24/923772324.db2.gz IYLDSWCFDHWNDU-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001390753199 923772676 /nfs/dbraw/zinc/77/26/76/923772676.db2.gz FHQRMRXHFJPEAC-MNOVXSKESA-N 1 1 311.342 -1.600 20 0 DAADMO CC(C)N1CC[C@H]([N@H+](C)CCNC(=O)Cn2cnnn2)C1=O ZINC001390738601 923775106 /nfs/dbraw/zinc/77/51/06/923775106.db2.gz YXQKBZFEABZWPD-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+](C)CCNC(=O)Cn2cnnn2)C1=O ZINC001390738601 923775117 /nfs/dbraw/zinc/77/51/17/923775117.db2.gz YXQKBZFEABZWPD-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)nn2c1 ZINC001390777668 923776762 /nfs/dbraw/zinc/77/67/62/923776762.db2.gz IJNSGGDCCSZRAW-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)nn2c1 ZINC001390777668 923776777 /nfs/dbraw/zinc/77/67/77/923776777.db2.gz IJNSGGDCCSZRAW-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001390780569 923777561 /nfs/dbraw/zinc/77/75/61/923777561.db2.gz WCKSFRGKDKRULH-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001390780569 923777568 /nfs/dbraw/zinc/77/75/68/923777568.db2.gz WCKSFRGKDKRULH-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CCN1CCNC1=O ZINC001390779253 923777937 /nfs/dbraw/zinc/77/79/37/923777937.db2.gz HDWRUKKSPSDJMB-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001390760748 923778494 /nfs/dbraw/zinc/77/84/94/923778494.db2.gz ATQJBSSZFRQRIR-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001390760748 923778508 /nfs/dbraw/zinc/77/85/08/923778508.db2.gz ATQJBSSZFRQRIR-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001390764589 923779266 /nfs/dbraw/zinc/77/92/66/923779266.db2.gz IWSGCWLSCSPIDD-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001390812688 923780411 /nfs/dbraw/zinc/78/04/11/923780411.db2.gz RJJIWCRTLYVBPJ-UHFFFAOYSA-N 1 1 310.314 -2.113 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001390812688 923780419 /nfs/dbraw/zinc/78/04/19/923780419.db2.gz RJJIWCRTLYVBPJ-UHFFFAOYSA-N 1 1 310.314 -2.113 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)CCNS(C)(=O)=O ZINC001390798340 923781608 /nfs/dbraw/zinc/78/16/08/923781608.db2.gz RACVTUJVBBXLMZ-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCCCS1(=O)=O ZINC001390798715 923782486 /nfs/dbraw/zinc/78/24/86/923782486.db2.gz WKTCTSDMZUDTPR-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)S(C)(=O)=O ZINC001390807950 923783252 /nfs/dbraw/zinc/78/32/52/923783252.db2.gz MUIVOVBSBXXEKI-SECBINFHSA-N 1 1 321.403 -2.393 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)S(C)(=O)=O ZINC001390807950 923783261 /nfs/dbraw/zinc/78/32/61/923783261.db2.gz MUIVOVBSBXXEKI-SECBINFHSA-N 1 1 321.403 -2.393 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001390830291 923784217 /nfs/dbraw/zinc/78/42/17/923784217.db2.gz IVCHASBWKBAHMN-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001390830291 923784229 /nfs/dbraw/zinc/78/42/29/923784229.db2.gz IVCHASBWKBAHMN-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO C[N@H+](CCNC(=O)c1cc2ncccn2n1)CC(=O)NC(N)=O ZINC001390839938 923785346 /nfs/dbraw/zinc/78/53/46/923785346.db2.gz YTIHBIKWNFFRDT-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc2ncccn2n1)CC(=O)NC(N)=O ZINC001390839938 923785358 /nfs/dbraw/zinc/78/53/58/923785358.db2.gz YTIHBIKWNFFRDT-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001390829516 923785617 /nfs/dbraw/zinc/78/56/17/923785617.db2.gz IEADMIUSQCULDR-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001390829516 923785627 /nfs/dbraw/zinc/78/56/27/923785627.db2.gz IEADMIUSQCULDR-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001390830287 923785878 /nfs/dbraw/zinc/78/58/78/923785878.db2.gz IVCHASBWKBAHMN-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001390830287 923785883 /nfs/dbraw/zinc/78/58/83/923785883.db2.gz IVCHASBWKBAHMN-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+](C)CC1CC1 ZINC001390842070 923786287 /nfs/dbraw/zinc/78/62/87/923786287.db2.gz MTIKZQZCQRDKGF-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390838860 923786745 /nfs/dbraw/zinc/78/67/45/923786745.db2.gz VNTDWKIUYCJAKO-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390838860 923786758 /nfs/dbraw/zinc/78/67/58/923786758.db2.gz VNTDWKIUYCJAKO-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001390845869 923787427 /nfs/dbraw/zinc/78/74/27/923787427.db2.gz PRNHBLCTYMEIRR-IUCAKERBSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001390845869 923787432 /nfs/dbraw/zinc/78/74/32/923787432.db2.gz PRNHBLCTYMEIRR-IUCAKERBSA-N 1 1 301.391 -1.009 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001390847600 923788142 /nfs/dbraw/zinc/78/81/42/923788142.db2.gz PITJGUQOYOPJCB-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001390847600 923788156 /nfs/dbraw/zinc/78/81/56/923788156.db2.gz PITJGUQOYOPJCB-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)[C@@H](C)C(=O)NC(N)=O ZINC001390861219 923788392 /nfs/dbraw/zinc/78/83/92/923788392.db2.gz FWZJXJIPSOKAMH-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001390857787 923788732 /nfs/dbraw/zinc/78/87/32/923788732.db2.gz DXCXQXTWXVHOHI-SNVBAGLBSA-N 1 1 323.353 -1.622 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn(C)c(=O)[nH]c2=O)C1=O ZINC001390857787 923788747 /nfs/dbraw/zinc/78/87/47/923788747.db2.gz DXCXQXTWXVHOHI-SNVBAGLBSA-N 1 1 323.353 -1.622 20 0 DAADMO C[N@H+](CCNC(=O)COC[C@H]1CCCO1)CC(=O)NC(N)=O ZINC001390876098 923788783 /nfs/dbraw/zinc/78/87/83/923788783.db2.gz SFWBBZHEUVCSRJ-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO C[N@@H+](CCNC(=O)COC[C@H]1CCCO1)CC(=O)NC(N)=O ZINC001390876098 923788792 /nfs/dbraw/zinc/78/87/92/923788792.db2.gz SFWBBZHEUVCSRJ-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCn2cncn2)c(=O)[nH]c1=O ZINC001390866401 923788954 /nfs/dbraw/zinc/78/89/54/923788954.db2.gz XOGMHNPFUTWGCG-UHFFFAOYSA-N 1 1 321.341 -1.561 20 0 DAADMO CC[N@@H+](CCNC(=O)COC)Cc1cc(=O)n(C)c(=O)n1C ZINC001390872533 923790222 /nfs/dbraw/zinc/79/02/22/923790222.db2.gz ITJBLVGDAUGUCX-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390853010 923790507 /nfs/dbraw/zinc/79/05/07/923790507.db2.gz XNYUZWWBSBPHFE-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390853010 923790517 /nfs/dbraw/zinc/79/05/17/923790517.db2.gz XNYUZWWBSBPHFE-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001390864077 923790714 /nfs/dbraw/zinc/79/07/14/923790714.db2.gz QZIIFTUUWHORCF-JTQLQIEISA-N 1 1 319.369 -1.151 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001390864077 923790722 /nfs/dbraw/zinc/79/07/22/923790722.db2.gz QZIIFTUUWHORCF-JTQLQIEISA-N 1 1 319.369 -1.151 20 0 DAADMO CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390862785 923790764 /nfs/dbraw/zinc/79/07/64/923790764.db2.gz NUNUGAYOJCDURO-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CCn1cncn1 ZINC001390868461 923790852 /nfs/dbraw/zinc/79/08/52/923790852.db2.gz ZLGLHEVNYLVDRZ-UHFFFAOYSA-N 1 1 321.345 -2.283 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001390868167 923791127 /nfs/dbraw/zinc/79/11/27/923791127.db2.gz YTDQIYHZJLZSCA-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001390868167 923791136 /nfs/dbraw/zinc/79/11/36/923791136.db2.gz YTDQIYHZJLZSCA-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1c[nH]cn1)CC(=O)NC(=O)NC ZINC001390957056 923792177 /nfs/dbraw/zinc/79/21/77/923792177.db2.gz ARUFFXRYPQWMCE-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1c[nH]cn1)CC(=O)NC(=O)NC ZINC001390957056 923792190 /nfs/dbraw/zinc/79/21/90/923792190.db2.gz ARUFFXRYPQWMCE-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@H](O)COC ZINC001390900549 923793207 /nfs/dbraw/zinc/79/32/07/923793207.db2.gz GXNCIWGGEHTQSH-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(=O)NC ZINC001390927191 923794815 /nfs/dbraw/zinc/79/48/15/923794815.db2.gz NFZWVZXTHGMLFP-UHFFFAOYSA-N 1 1 321.381 -1.093 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(=O)NC ZINC001390927191 923794834 /nfs/dbraw/zinc/79/48/34/923794834.db2.gz NFZWVZXTHGMLFP-UHFFFAOYSA-N 1 1 321.381 -1.093 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795063 /nfs/dbraw/zinc/79/50/63/923795063.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@H](C)C(=O)NC ZINC001390913072 923795077 /nfs/dbraw/zinc/79/50/77/923795077.db2.gz ZTTKRYXZJUIUFF-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@@H](O)COC ZINC001390900542 923795426 /nfs/dbraw/zinc/79/54/26/923795426.db2.gz GXNCIWGGEHTQSH-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001391003105 923796877 /nfs/dbraw/zinc/79/68/77/923796877.db2.gz FJMLSYYOYQXJAD-UHFFFAOYSA-N 1 1 321.443 -1.463 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001391003105 923796889 /nfs/dbraw/zinc/79/68/89/923796889.db2.gz FJMLSYYOYQXJAD-UHFFFAOYSA-N 1 1 321.443 -1.463 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001390963632 923797485 /nfs/dbraw/zinc/79/74/85/923797485.db2.gz QUNSQANLZPQLKA-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001390963632 923797500 /nfs/dbraw/zinc/79/75/00/923797500.db2.gz QUNSQANLZPQLKA-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccnc1C(N)=O)CC(=O)NC ZINC001391012464 923797814 /nfs/dbraw/zinc/79/78/14/923797814.db2.gz BGUDRXDXLTXCEM-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccnc1C(N)=O)CC(=O)NC ZINC001391012464 923797821 /nfs/dbraw/zinc/79/78/21/923797821.db2.gz BGUDRXDXLTXCEM-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001391027625 923798536 /nfs/dbraw/zinc/79/85/36/923798536.db2.gz VZPIVVIJTRWIOV-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnn2cc[nH]c12)CC(=O)NC(N)=O ZINC001391003612 923798765 /nfs/dbraw/zinc/79/87/65/923798765.db2.gz FQNBSGNTBKEZPM-UHFFFAOYSA-N 1 1 321.341 -1.091 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn2cc[nH]c12)CC(=O)NC(N)=O ZINC001391003612 923798779 /nfs/dbraw/zinc/79/87/79/923798779.db2.gz FQNBSGNTBKEZPM-UHFFFAOYSA-N 1 1 321.341 -1.091 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C)C(=O)NC ZINC001390964906 923799248 /nfs/dbraw/zinc/79/92/48/923799248.db2.gz LQQSMYOXSOFASS-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H](C)C(=O)NC ZINC001390964906 923799252 /nfs/dbraw/zinc/79/92/52/923799252.db2.gz LQQSMYOXSOFASS-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC(C)(C)C)CC(N)=O ZINC001391016826 923799362 /nfs/dbraw/zinc/79/93/62/923799362.db2.gz LBTVFJFEZMVCAJ-UHFFFAOYSA-N 1 1 322.431 -1.372 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC(C)(C)C)CC(N)=O ZINC001391016826 923799368 /nfs/dbraw/zinc/79/93/68/923799368.db2.gz LBTVFJFEZMVCAJ-UHFFFAOYSA-N 1 1 322.431 -1.372 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001391027621 923799447 /nfs/dbraw/zinc/79/94/47/923799447.db2.gz VZPIVVIJTRWIOV-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)S(C)(=O)=O ZINC001391057265 923800395 /nfs/dbraw/zinc/80/03/95/923800395.db2.gz PYDRBIOTTXDVDA-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)S(C)(=O)=O ZINC001391057265 923800410 /nfs/dbraw/zinc/80/04/10/923800410.db2.gz PYDRBIOTTXDVDA-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001391084551 923800740 /nfs/dbraw/zinc/80/07/40/923800740.db2.gz MURQLABNUOFAFD-GARJFASQSA-N 1 1 302.375 -1.511 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001391084556 923801608 /nfs/dbraw/zinc/80/16/08/923801608.db2.gz MURQLABNUOFAFD-HBNTYKKESA-N 1 1 302.375 -1.511 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001391055376 923801841 /nfs/dbraw/zinc/80/18/41/923801841.db2.gz ZVTGXCJTTCXEQG-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001391055376 923801873 /nfs/dbraw/zinc/80/18/73/923801873.db2.gz ZVTGXCJTTCXEQG-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001391055368 923802503 /nfs/dbraw/zinc/80/25/03/923802503.db2.gz ZVTGXCJTTCXEQG-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001391055368 923802513 /nfs/dbraw/zinc/80/25/13/923802513.db2.gz ZVTGXCJTTCXEQG-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCNC(N)=O ZINC001391072261 923803406 /nfs/dbraw/zinc/80/34/06/923803406.db2.gz BWTIZOQPVTZAIW-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001391099566 923805703 /nfs/dbraw/zinc/80/57/03/923805703.db2.gz LWTYEDAQHGUODS-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001391099571 923805750 /nfs/dbraw/zinc/80/57/50/923805750.db2.gz LWTYEDAQHGUODS-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001391114569 923805856 /nfs/dbraw/zinc/80/58/56/923805856.db2.gz MGFSHAZETRTLGT-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001391095253 923807019 /nfs/dbraw/zinc/80/70/19/923807019.db2.gz HNHYSBXSFLZVIK-NWDGAFQWSA-N 1 1 316.402 -1.249 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)OC)C1 ZINC001391089039 923807063 /nfs/dbraw/zinc/80/70/63/923807063.db2.gz QCUUAMWKJZNELB-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001391089566 923807544 /nfs/dbraw/zinc/80/75/44/923807544.db2.gz ACJVXYPEOOTZEX-NSHDSACASA-N 1 1 313.402 -1.122 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)NC ZINC001391134679 923808405 /nfs/dbraw/zinc/80/84/05/923808405.db2.gz GEDFTTSITFOLJB-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CN1CCC[C@@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001391152235 923809603 /nfs/dbraw/zinc/80/96/03/923809603.db2.gz ZMUNPRNRNSAVKH-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001391152235 923809618 /nfs/dbraw/zinc/80/96/18/923809618.db2.gz ZMUNPRNRNSAVKH-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001391159707 923810183 /nfs/dbraw/zinc/81/01/83/923810183.db2.gz DVNLNOXFFIPHCG-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001391159707 923810189 /nfs/dbraw/zinc/81/01/89/923810189.db2.gz DVNLNOXFFIPHCG-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001391171514 923811908 /nfs/dbraw/zinc/81/19/08/923811908.db2.gz KBFLDVPSMDBUGL-UHFFFAOYSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001391171514 923811916 /nfs/dbraw/zinc/81/19/16/923811916.db2.gz KBFLDVPSMDBUGL-UHFFFAOYSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001391169520 923812412 /nfs/dbraw/zinc/81/24/12/923812412.db2.gz DPFQKBZXEYUQQH-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391189130 923813077 /nfs/dbraw/zinc/81/30/77/923813077.db2.gz KCJNJFDEDHQBFB-VHSXEESVSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391189130 923813084 /nfs/dbraw/zinc/81/30/84/923813084.db2.gz KCJNJFDEDHQBFB-VHSXEESVSA-N 1 1 323.353 -1.946 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001391183095 923813440 /nfs/dbraw/zinc/81/34/40/923813440.db2.gz BKNWDYGYBIRAIT-NWDGAFQWSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCNC1=O)c1nnnn1C ZINC001391208951 923815768 /nfs/dbraw/zinc/81/57/68/923815768.db2.gz NTJDAKGMZWGKAM-SNVBAGLBSA-N 1 1 324.389 -1.266 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](CC(=O)N(C)C)C1CC1 ZINC001391201424 923816243 /nfs/dbraw/zinc/81/62/43/923816243.db2.gz VOGXWZSOEJDDLZ-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](CC(=O)N(C)C)C1CC1 ZINC001391201424 923816250 /nfs/dbraw/zinc/81/62/50/923816250.db2.gz VOGXWZSOEJDDLZ-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001391218236 923818250 /nfs/dbraw/zinc/81/82/50/923818250.db2.gz YHCAVXWWVQRZLG-CBAPKCEASA-N 1 1 323.357 -1.180 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001391221381 923818829 /nfs/dbraw/zinc/81/88/29/923818829.db2.gz PXPRQMPHUHLTHP-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001391221387 923820010 /nfs/dbraw/zinc/82/00/10/923820010.db2.gz PXPRQMPHUHLTHP-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001391297596 923821972 /nfs/dbraw/zinc/82/19/72/923821972.db2.gz WJEDDZNERSLUMK-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292930 923821998 /nfs/dbraw/zinc/82/19/98/923821998.db2.gz GXCBUTDIACUNAA-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292930 923822006 /nfs/dbraw/zinc/82/20/06/923822006.db2.gz GXCBUTDIACUNAA-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001391250184 923822302 /nfs/dbraw/zinc/82/23/02/923822302.db2.gz UXSRVWVSUOSESE-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292920 923822567 /nfs/dbraw/zinc/82/25/67/923822567.db2.gz GXCBUTDIACUNAA-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292920 923822578 /nfs/dbraw/zinc/82/25/78/923822578.db2.gz GXCBUTDIACUNAA-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391258680 923822823 /nfs/dbraw/zinc/82/28/23/923822823.db2.gz GSIBWPYCNXRXNU-MNOVXSKESA-N 1 1 309.374 -1.507 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]([NH2+]CC(N)=O)c2ccccc2)n1 ZINC001391252649 923822862 /nfs/dbraw/zinc/82/28/62/923822862.db2.gz AYBLOPYSUQCTNU-JTQLQIEISA-N 1 1 303.326 -1.244 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]([NH2+]CC(N)=O)c2ccccc2)n1 ZINC001391252655 923823483 /nfs/dbraw/zinc/82/34/83/923823483.db2.gz AYBLOPYSUQCTNU-SNVBAGLBSA-N 1 1 303.326 -1.244 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001391319646 923824563 /nfs/dbraw/zinc/82/45/63/923824563.db2.gz NVIGTNBTYJPCMT-UWVGGRQHSA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001391321319 923825005 /nfs/dbraw/zinc/82/50/05/923825005.db2.gz YTQNUKMCFRZNTM-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001391321319 923825017 /nfs/dbraw/zinc/82/50/17/923825017.db2.gz YTQNUKMCFRZNTM-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CN2CCCNC2=O)C1 ZINC001391312032 923826125 /nfs/dbraw/zinc/82/61/25/923826125.db2.gz ROEWLZZOYNWCJS-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001391355186 923827914 /nfs/dbraw/zinc/82/79/14/923827914.db2.gz OZBISWISDLIFDM-VIFPVBQESA-N 1 1 323.357 -1.346 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391347031 923828776 /nfs/dbraw/zinc/82/87/76/923828776.db2.gz GTHHABQARGPOJN-RYUDHWBXSA-N 1 1 312.374 -1.539 20 0 DAADMO CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001391357363 923828976 /nfs/dbraw/zinc/82/89/76/923828976.db2.gz KWRWURVXJXXCDG-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391346260 923829430 /nfs/dbraw/zinc/82/94/30/923829430.db2.gz BMRIICJWVRRDTF-GHMZBOCLSA-N 1 1 309.374 -1.283 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001391385257 923829623 /nfs/dbraw/zinc/82/96/23/923829623.db2.gz XHKPZJSADLRRPB-LLVKDONJSA-N 1 1 309.374 -1.083 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391356560 923830028 /nfs/dbraw/zinc/83/00/28/923830028.db2.gz KNIBGOVEYMJDTF-DCQANWLSSA-N 1 1 324.381 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001391375650 923830300 /nfs/dbraw/zinc/83/03/00/923830300.db2.gz PTHHTRAVSSOHLE-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001391375650 923830306 /nfs/dbraw/zinc/83/03/06/923830306.db2.gz PTHHTRAVSSOHLE-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001391355168 923830455 /nfs/dbraw/zinc/83/04/55/923830455.db2.gz OZBISWISDLIFDM-SECBINFHSA-N 1 1 323.357 -1.346 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001391386530 923832008 /nfs/dbraw/zinc/83/20/08/923832008.db2.gz ADHWCYBDEWAUQH-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001391386534 923832475 /nfs/dbraw/zinc/83/24/75/923832475.db2.gz ADHWCYBDEWAUQH-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001391389113 923833459 /nfs/dbraw/zinc/83/34/59/923833459.db2.gz VNWPLZCGRWSOSH-WDEREUQCSA-N 1 1 310.354 -1.029 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001391430608 923834729 /nfs/dbraw/zinc/83/47/29/923834729.db2.gz VOSSNIQSJXOUKR-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001391449430 923839696 /nfs/dbraw/zinc/83/96/96/923839696.db2.gz QSRTXFBHEWBGQB-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1)OC ZINC001391446247 923839827 /nfs/dbraw/zinc/83/98/27/923839827.db2.gz GIKYIJAJISBDQB-LLVKDONJSA-N 1 1 322.431 -1.392 20 0 DAADMO Cc1nn(CC(=O)NC2C[NH+](CCC[C@@H](C)O)C2)c(=O)n1C ZINC001391453276 923840430 /nfs/dbraw/zinc/84/04/30/923840430.db2.gz VUVMMACKWDJJNK-SNVBAGLBSA-N 1 1 311.386 -1.148 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CCn3ccnn3)C2)C1=O ZINC001391473818 923842474 /nfs/dbraw/zinc/84/24/74/923842474.db2.gz JHDKPFJCLRKGGG-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)CN3CCOCC3)C2)C1=O ZINC001391471175 923843413 /nfs/dbraw/zinc/84/34/13/923843413.db2.gz KKMUVIUFFZFURP-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)CN3CCOCC3)C2)C1=O ZINC001391471185 923843563 /nfs/dbraw/zinc/84/35/63/923843563.db2.gz KKMUVIUFFZFURP-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001391491859 923845342 /nfs/dbraw/zinc/84/53/42/923845342.db2.gz HEOHREYXSARWIZ-GFCCVEGCSA-N 1 1 323.397 -2.255 20 0 DAADMO CCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001391493635 923846202 /nfs/dbraw/zinc/84/62/02/923846202.db2.gz SNHBTINHTALHRA-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1nnc(CC(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)[nH]1 ZINC001391481758 923847229 /nfs/dbraw/zinc/84/72/29/923847229.db2.gz JKPHDAREDCBQIZ-NSHDSACASA-N 1 1 306.370 -1.018 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCNS(C)(=O)=O)C1 ZINC001391477475 923847396 /nfs/dbraw/zinc/84/73/96/923847396.db2.gz QYYMYGXRVDBJMA-LBPRGKRZSA-N 1 1 318.443 -1.322 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)C[C@H]3CCC(=O)N3)C2)C1=O ZINC001391505490 923849169 /nfs/dbraw/zinc/84/91/69/923849169.db2.gz CAEIXUFSLXZOOO-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001391502678 923850315 /nfs/dbraw/zinc/85/03/15/923850315.db2.gz GZBYCISMSLHSGZ-WCBMZHEXSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001391503821 923850913 /nfs/dbraw/zinc/85/09/13/923850913.db2.gz FKLMOJHHMXBZNY-SNVBAGLBSA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(N)=O)C1 ZINC001391535090 923852552 /nfs/dbraw/zinc/85/25/52/923852552.db2.gz HHEMCDZUZVRLAH-WOPDTQHZSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)NC(N)=O ZINC001391531627 923852591 /nfs/dbraw/zinc/85/25/91/923852591.db2.gz RPYAJUXTUQWEDF-RHYQMDGZSA-N 1 1 314.386 -1.274 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1=O ZINC001391521027 923854018 /nfs/dbraw/zinc/85/40/18/923854018.db2.gz JMVKVGPFIHCTKZ-AVGNSLFASA-N 1 1 311.382 -1.099 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(=O)N1 ZINC001391538594 923855048 /nfs/dbraw/zinc/85/50/48/923855048.db2.gz CJLCWMJONIPESR-ZDEQEGDKSA-N 1 1 311.382 -1.053 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001391539974 923856655 /nfs/dbraw/zinc/85/66/55/923856655.db2.gz HCEGUPSKPRRNLS-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001391539974 923856666 /nfs/dbraw/zinc/85/66/66/923856666.db2.gz HCEGUPSKPRRNLS-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001391543601 923857428 /nfs/dbraw/zinc/85/74/28/923857428.db2.gz FZYOOTCRWLQSQD-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001391560033 923857569 /nfs/dbraw/zinc/85/75/69/923857569.db2.gz GSLWJWSDLRBZPZ-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001391561167 923857668 /nfs/dbraw/zinc/85/76/68/923857668.db2.gz GXRWJBDEDFPOFU-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001391582452 923859835 /nfs/dbraw/zinc/85/98/35/923859835.db2.gz WYZNAEOCSYBRLK-GXSJLCMTSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391582452 923859845 /nfs/dbraw/zinc/85/98/45/923859845.db2.gz WYZNAEOCSYBRLK-GXSJLCMTSA-N 1 1 311.386 -1.240 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001391562279 923861644 /nfs/dbraw/zinc/86/16/44/923861644.db2.gz TWNLOBJLCNKEPZ-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391562279 923861649 /nfs/dbraw/zinc/86/16/49/923861649.db2.gz TWNLOBJLCNKEPZ-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001391600354 923862975 /nfs/dbraw/zinc/86/29/75/923862975.db2.gz BOIYMZOVKQGPOR-GMTAPVOTSA-N 1 1 321.399 -2.124 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001391612551 923863084 /nfs/dbraw/zinc/86/30/84/923863084.db2.gz GAAYALWFNOHDOV-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391621565 923863349 /nfs/dbraw/zinc/86/33/49/923863349.db2.gz MEYCTSCFJPZYBV-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391618959 923863790 /nfs/dbraw/zinc/86/37/90/923863790.db2.gz HMRXVNVKVVTXGF-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608023 923864613 /nfs/dbraw/zinc/86/46/13/923864613.db2.gz UKYCTPLSXHAFAP-IUCAKERBSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608023 923864620 /nfs/dbraw/zinc/86/46/20/923864620.db2.gz UKYCTPLSXHAFAP-IUCAKERBSA-N 1 1 324.345 -2.211 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001391639238 923867368 /nfs/dbraw/zinc/86/73/68/923867368.db2.gz FTVCIEAVXKCWSJ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001391641782 923867648 /nfs/dbraw/zinc/86/76/48/923867648.db2.gz KXIXMEUFNOXVQY-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001391641782 923867656 /nfs/dbraw/zinc/86/76/56/923867656.db2.gz KXIXMEUFNOXVQY-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001391627326 923867910 /nfs/dbraw/zinc/86/79/10/923867910.db2.gz CHWDRXRKOYROJQ-QWRGUYRKSA-N 1 1 310.354 -1.077 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001391630166 923868749 /nfs/dbraw/zinc/86/87/49/923868749.db2.gz UHVRSKKDPXREAY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001391630166 923868762 /nfs/dbraw/zinc/86/87/62/923868762.db2.gz UHVRSKKDPXREAY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391628352 923869570 /nfs/dbraw/zinc/86/95/70/923869570.db2.gz FGPDCZMRGLWKKJ-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001391624838 923869857 /nfs/dbraw/zinc/86/98/57/923869857.db2.gz BYQUHYCSVDYBHS-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001391696664 923870830 /nfs/dbraw/zinc/87/08/30/923870830.db2.gz IQGNLAFTBMKYEU-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001391784018 923877761 /nfs/dbraw/zinc/87/77/61/923877761.db2.gz DCAXIZJWTQKQCG-LBPRGKRZSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001391784018 923877776 /nfs/dbraw/zinc/87/77/76/923877776.db2.gz DCAXIZJWTQKQCG-LBPRGKRZSA-N 1 1 324.385 -1.324 20 0 DAADMO CNC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1nnnn1C)C1CC1 ZINC001391805677 923878473 /nfs/dbraw/zinc/87/84/73/923878473.db2.gz SKIOXGNFYKXVID-CYBMUJFWSA-N 1 1 324.389 -1.486 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391940847 923886404 /nfs/dbraw/zinc/88/64/04/923886404.db2.gz WAVFGEVSKWRCBQ-ONGXEEELSA-N 1 1 311.390 -1.033 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001391957204 923889310 /nfs/dbraw/zinc/88/93/10/923889310.db2.gz ISMLJPFGTRXZPP-NWDGAFQWSA-N 1 1 316.354 -1.301 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001391957204 923889318 /nfs/dbraw/zinc/88/93/18/923889318.db2.gz ISMLJPFGTRXZPP-NWDGAFQWSA-N 1 1 316.354 -1.301 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391974445 923891394 /nfs/dbraw/zinc/89/13/94/923891394.db2.gz RLFAGWRDVRRBEV-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391974445 923891406 /nfs/dbraw/zinc/89/14/06/923891406.db2.gz RLFAGWRDVRRBEV-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CC(F)(F)C(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001391974735 923891606 /nfs/dbraw/zinc/89/16/06/923891606.db2.gz IMXFAPYVGDPQPG-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO COC[C@@H](O)CN1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391988202 923898857 /nfs/dbraw/zinc/89/88/57/923898857.db2.gz POMSNACSRAJPKV-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC001391994287 923900733 /nfs/dbraw/zinc/90/07/33/923900733.db2.gz VQJPTGJCVNHZPC-NSHDSACASA-N 1 1 305.400 -1.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001391994274 923901268 /nfs/dbraw/zinc/90/12/68/923901268.db2.gz VQJPTGJCVNHZPC-LLVKDONJSA-N 1 1 305.400 -1.237 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001392006341 923907290 /nfs/dbraw/zinc/90/72/90/923907290.db2.gz VKQNBYCTXNVMRO-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1nccc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392036254 923916409 /nfs/dbraw/zinc/91/64/09/923916409.db2.gz IGZRGTUXEBJVNO-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cnn(C)c1N ZINC001392059115 923921177 /nfs/dbraw/zinc/92/11/77/923921177.db2.gz KJYGNXYCCKCLOR-MRVPVSSYSA-N 1 1 307.362 -1.224 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001392091589 923928798 /nfs/dbraw/zinc/92/87/98/923928798.db2.gz DMOAHHFWBGJZAP-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)NC(N)=O ZINC001392096787 923930647 /nfs/dbraw/zinc/93/06/47/923930647.db2.gz XFPMCRRLIGHJOG-VHSXEESVSA-N 1 1 317.390 -2.023 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392095900 923930731 /nfs/dbraw/zinc/93/07/31/923930731.db2.gz VTLPMMDSZHWJJK-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392098225 923931225 /nfs/dbraw/zinc/93/12/25/923931225.db2.gz SSHPIUXONAVTGB-LLVKDONJSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392098366 923931279 /nfs/dbraw/zinc/93/12/79/923931279.db2.gz KAAYGZWNDQCZRZ-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001392096448 923931713 /nfs/dbraw/zinc/93/17/13/923931713.db2.gz DUXSZTCTTXDVFJ-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001392096446 923932135 /nfs/dbraw/zinc/93/21/35/923932135.db2.gz DUXSZTCTTXDVFJ-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001392103584 923934437 /nfs/dbraw/zinc/93/44/37/923934437.db2.gz GHWPISFCHZEEFL-RKDXNWHRSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001392103581 923935497 /nfs/dbraw/zinc/93/54/97/923935497.db2.gz GHWPISFCHZEEFL-IUCAKERBSA-N 1 1 319.387 -1.056 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001392130308 923940146 /nfs/dbraw/zinc/94/01/46/923940146.db2.gz NNSOZWZAQIXRJM-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001392136064 923941809 /nfs/dbraw/zinc/94/18/09/923941809.db2.gz UPBHBSDLDXDDAR-MRVPVSSYSA-N 1 1 320.357 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392145983 923943998 /nfs/dbraw/zinc/94/39/98/923943998.db2.gz YQDIXNQMRNODNZ-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001392212217 923949914 /nfs/dbraw/zinc/94/99/14/923949914.db2.gz RBJJXCYJIVRKLP-SECBINFHSA-N 1 1 307.362 -1.117 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nnnn1C ZINC001392207089 923949976 /nfs/dbraw/zinc/94/99/76/923949976.db2.gz OQHIPRVYWCIDPC-WDEREUQCSA-N 1 1 312.374 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392258646 923953102 /nfs/dbraw/zinc/95/31/02/923953102.db2.gz DCWHYWJAVQMRHG-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392258646 923953112 /nfs/dbraw/zinc/95/31/12/923953112.db2.gz DCWHYWJAVQMRHG-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392263700 923953234 /nfs/dbraw/zinc/95/32/34/923953234.db2.gz MHPKWOIGTXXPBH-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392263700 923953239 /nfs/dbraw/zinc/95/32/39/923953239.db2.gz MHPKWOIGTXXPBH-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001392271354 923954230 /nfs/dbraw/zinc/95/42/30/923954230.db2.gz KMASQNIIMPXRFU-SNVBAGLBSA-N 1 1 315.374 -2.098 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001392271354 923954240 /nfs/dbraw/zinc/95/42/40/923954240.db2.gz KMASQNIIMPXRFU-SNVBAGLBSA-N 1 1 315.374 -2.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001392284394 923954807 /nfs/dbraw/zinc/95/48/07/923954807.db2.gz MLQZBGROXBMZNV-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001392284394 923954817 /nfs/dbraw/zinc/95/48/17/923954817.db2.gz MLQZBGROXBMZNV-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001392280028 923955266 /nfs/dbraw/zinc/95/52/66/923955266.db2.gz SDENNVHICVPAMP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001392280028 923955279 /nfs/dbraw/zinc/95/52/79/923955279.db2.gz SDENNVHICVPAMP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001392290872 923955703 /nfs/dbraw/zinc/95/57/03/923955703.db2.gz SJCCNPQQUJLYKP-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001392290872 923955714 /nfs/dbraw/zinc/95/57/14/923955714.db2.gz SJCCNPQQUJLYKP-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001392287011 923955866 /nfs/dbraw/zinc/95/58/66/923955866.db2.gz BMGIBBUPSJCEQV-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001392287011 923955877 /nfs/dbraw/zinc/95/58/77/923955877.db2.gz BMGIBBUPSJCEQV-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1cn(C)nn1 ZINC001392269946 923956671 /nfs/dbraw/zinc/95/66/71/923956671.db2.gz CIJGQANMFSRHAQ-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cn(C)nn1 ZINC001392269946 923956688 /nfs/dbraw/zinc/95/66/88/923956688.db2.gz CIJGQANMFSRHAQ-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001392307803 923959064 /nfs/dbraw/zinc/95/90/64/923959064.db2.gz MPTRNZDZBCQTDH-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001392307803 923959076 /nfs/dbraw/zinc/95/90/76/923959076.db2.gz MPTRNZDZBCQTDH-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@@H]1CNC(=O)N1 ZINC001392300734 923960081 /nfs/dbraw/zinc/96/00/81/923960081.db2.gz ORMSCNXPUOQKTM-MNOVXSKESA-N 1 1 321.385 -1.163 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001392320969 923961924 /nfs/dbraw/zinc/96/19/24/923961924.db2.gz DZOBEVSDUCHIRV-SECBINFHSA-N 1 1 308.404 -1.858 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001392320969 923961937 /nfs/dbraw/zinc/96/19/37/923961937.db2.gz DZOBEVSDUCHIRV-SECBINFHSA-N 1 1 308.404 -1.858 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001392339986 923962685 /nfs/dbraw/zinc/96/26/85/923962685.db2.gz PDCUFQDLYZSXOW-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C2=COCCO2)nn1 ZINC001392346017 923966121 /nfs/dbraw/zinc/96/61/21/923966121.db2.gz GRKPXBSDWUOFJF-NSHDSACASA-N 1 1 311.342 -1.247 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccccc1O ZINC001392346122 923966516 /nfs/dbraw/zinc/96/65/16/923966516.db2.gz GKXNVDTYUDYEGX-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)[nH]1 ZINC001392347650 923966888 /nfs/dbraw/zinc/96/68/88/923966888.db2.gz YKKYJIFRZLGCIN-WPRPVWTQSA-N 1 1 312.374 -1.369 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cccn2)n1 ZINC001392350586 923968034 /nfs/dbraw/zinc/96/80/34/923968034.db2.gz PZPGHSYDZURHEL-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001392356342 923968339 /nfs/dbraw/zinc/96/83/39/923968339.db2.gz GRMILGTUBURUHZ-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)s1 ZINC001392356399 923968873 /nfs/dbraw/zinc/96/88/73/923968873.db2.gz GUHQYOWFJWRNQY-QMMMGPOBSA-N 1 1 322.412 -1.542 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)s1 ZINC001392356398 923968987 /nfs/dbraw/zinc/96/89/87/923968987.db2.gz GUHQYOWFJWRNQY-MRVPVSSYSA-N 1 1 322.412 -1.542 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)C1=COCCO1 ZINC001392350883 923970064 /nfs/dbraw/zinc/97/00/64/923970064.db2.gz MVQJPOXVOUMRGS-QMMMGPOBSA-N 1 1 300.340 -1.007 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392358001 923971368 /nfs/dbraw/zinc/97/13/68/923971368.db2.gz AQJJJFCCEPKLPC-UWVGGRQHSA-N 1 1 322.373 -1.306 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@H]1CCNC(=O)C1 ZINC001392363277 923974775 /nfs/dbraw/zinc/97/47/75/923974775.db2.gz GSKFKKKDLLXXOB-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001392364517 923975158 /nfs/dbraw/zinc/97/51/58/923975158.db2.gz LJSCBMFWEGQBNU-VXGBXAGGSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001392361952 923975516 /nfs/dbraw/zinc/97/55/16/923975516.db2.gz DBNUKMLNFVDJSB-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001392362997 923975730 /nfs/dbraw/zinc/97/57/30/923975730.db2.gz JIPWBBMULUPQLU-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)c(C)o1 ZINC001392364369 923976304 /nfs/dbraw/zinc/97/63/04/923976304.db2.gz XIKHSHXRPGFCTJ-JTQLQIEISA-N 1 1 319.383 -1.097 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@H]1CCNC(=O)C1 ZINC001392363274 923976337 /nfs/dbraw/zinc/97/63/37/923976337.db2.gz GSKFKKKDLLXXOB-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@@H]1CCNC(=O)C1 ZINC001392363190 923976728 /nfs/dbraw/zinc/97/67/28/923976728.db2.gz GSKFKKKDLLXXOB-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001392365718 923977666 /nfs/dbraw/zinc/97/76/66/923977666.db2.gz OCNUGOLUQIEEGN-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cncnc1 ZINC001392365904 923978680 /nfs/dbraw/zinc/97/86/80/923978680.db2.gz XQBLQECPVRZUTA-NSHDSACASA-N 1 1 320.357 -1.246 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392366914 923978845 /nfs/dbraw/zinc/97/88/45/923978845.db2.gz QQLKKTAWJZQJDD-RKDXNWHRSA-N 1 1 313.362 -2.136 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1C ZINC001392368009 923979619 /nfs/dbraw/zinc/97/96/19/923979619.db2.gz UMOVNDCWMYUZDL-VHSXEESVSA-N 1 1 322.373 -1.008 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cncnc1 ZINC001392365894 923980456 /nfs/dbraw/zinc/98/04/56/923980456.db2.gz XQBLQECPVRZUTA-LLVKDONJSA-N 1 1 320.357 -1.246 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001392368347 923981268 /nfs/dbraw/zinc/98/12/68/923981268.db2.gz OTVCYWDBWAMYMW-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001392368652 923981403 /nfs/dbraw/zinc/98/14/03/923981403.db2.gz WDXJMBLLIMGIKJ-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001392368355 923981698 /nfs/dbraw/zinc/98/16/98/923981698.db2.gz OTVCYWDBWAMYMW-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nccs1)[C@@H]1COC(=O)N1 ZINC001392370654 923981963 /nfs/dbraw/zinc/98/19/63/923981963.db2.gz ZTJSLQZKLNYFCJ-SFYZADRCSA-N 1 1 300.340 -1.182 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392370819 923982274 /nfs/dbraw/zinc/98/22/74/923982274.db2.gz ANRRRFKSVUDLIG-CMPLNLGQSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001392370672 923983603 /nfs/dbraw/zinc/98/36/03/923983603.db2.gz ZYBOKDNAFZNZRQ-IUCAKERBSA-N 1 1 312.330 -2.027 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392370823 923983670 /nfs/dbraw/zinc/98/36/70/923983670.db2.gz ANRRRFKSVUDLIG-JQWIXIFHSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001392373060 923985303 /nfs/dbraw/zinc/98/53/03/923985303.db2.gz JWSGDXDGSPWWET-LBPRGKRZSA-N 1 1 308.342 -1.079 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392373827 923985851 /nfs/dbraw/zinc/98/58/51/923985851.db2.gz KXBVLCYHRYVBTQ-GMTAPVOTSA-N 1 1 313.402 -1.124 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)nc1 ZINC001392371893 923987173 /nfs/dbraw/zinc/98/71/73/923987173.db2.gz FYDNAWLFKVPQLK-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ncnc1CNC[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392375384 923988685 /nfs/dbraw/zinc/98/86/85/923988685.db2.gz NRNWBVHIQNBRIZ-LBPRGKRZSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001392378257 923989234 /nfs/dbraw/zinc/98/92/34/923989234.db2.gz OACZIFXNBLODRE-SECBINFHSA-N 1 1 320.357 -1.767 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001392376002 923989822 /nfs/dbraw/zinc/98/98/22/923989822.db2.gz NMWYYTSXERBLIT-JTQLQIEISA-N 1 1 323.397 -1.356 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392379578 923992800 /nfs/dbraw/zinc/99/28/00/923992800.db2.gz YKHLJGHFXVJADS-NEPJUHHUSA-N 1 1 310.354 -1.151 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001392382968 923995031 /nfs/dbraw/zinc/99/50/31/923995031.db2.gz LGTNVHCEANATOS-WDEREUQCSA-N 1 1 324.385 -1.467 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1C ZINC001392382954 923995715 /nfs/dbraw/zinc/99/57/15/923995715.db2.gz DCJYERCJCWOEBU-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392384346 923996295 /nfs/dbraw/zinc/99/62/95/923996295.db2.gz VRHSPHCNPDIUMX-ZETCQYMHSA-N 1 1 302.360 -1.966 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001392383103 923996400 /nfs/dbraw/zinc/99/64/00/923996400.db2.gz DVOFWMGGINVUTL-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392381787 923996774 /nfs/dbraw/zinc/99/67/74/923996774.db2.gz WORBZQAHHXJGMG-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)CC1=O ZINC001392382844 923996958 /nfs/dbraw/zinc/99/69/58/923996958.db2.gz SNVFCRAFYBYBEU-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001392385140 923997075 /nfs/dbraw/zinc/99/70/75/923997075.db2.gz BTOXXSACDZQZRN-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1C ZINC001392388096 923998170 /nfs/dbraw/zinc/99/81/70/923998170.db2.gz CCHSUGUSQMDLHD-WCBMZHEXSA-N 1 1 322.373 -1.306 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)[C@@H]1CCNC(=O)CC1 ZINC001392391842 924001100 /nfs/dbraw/zinc/00/11/00/924001100.db2.gz RGOKJXYVUQCCSW-ONGXEEELSA-N 1 1 311.342 -1.447 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)[C@H]1CCNC(=O)CC1 ZINC001392391836 924003849 /nfs/dbraw/zinc/00/38/49/924003849.db2.gz RGOKJXYVUQCCSW-MWLCHTKSSA-N 1 1 311.342 -1.447 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001392389637 924003913 /nfs/dbraw/zinc/00/39/13/924003913.db2.gz OTMOPWFUAMZJCA-JTQLQIEISA-N 1 1 319.387 -2.184 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001392392021 924006141 /nfs/dbraw/zinc/00/61/41/924006141.db2.gz BWUPPPVZRDDESQ-NDBYEHHHSA-N 1 1 309.370 -1.243 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nn1 ZINC001392395098 924007160 /nfs/dbraw/zinc/00/71/60/924007160.db2.gz GSQQEEWWXRYEAM-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)[nH]c1=O ZINC001392396829 924009976 /nfs/dbraw/zinc/00/99/76/924009976.db2.gz WNJFTEXNQFUTSG-MRVPVSSYSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 ZINC001392402473 924011757 /nfs/dbraw/zinc/01/17/57/924011757.db2.gz OYPNCLNXDAPSHY-SCVCMEIPSA-N 1 1 324.385 -1.717 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001392403203 924012121 /nfs/dbraw/zinc/01/21/21/924012121.db2.gz TXHZHPAMBMMBPQ-ZJUUUORDSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2ncnn2C)C1 ZINC001392401567 924012673 /nfs/dbraw/zinc/01/26/73/924012673.db2.gz MDUMNSAOZXBQSC-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)n1C ZINC001392403793 924013106 /nfs/dbraw/zinc/01/31/06/924013106.db2.gz NCPGKFFKLYDEIO-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2ncnn2C)C1 ZINC001392401563 924013244 /nfs/dbraw/zinc/01/32/44/924013244.db2.gz MDUMNSAOZXBQSC-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001392403192 924013503 /nfs/dbraw/zinc/01/35/03/924013503.db2.gz TXHZHPAMBMMBPQ-UWVGGRQHSA-N 1 1 312.374 -1.581 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001392402820 924013963 /nfs/dbraw/zinc/01/39/63/924013963.db2.gz QAXWLEHLGZOUDB-WDEREUQCSA-N 1 1 313.358 -1.141 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)cc1=O ZINC001392408477 924015112 /nfs/dbraw/zinc/01/51/12/924015112.db2.gz IVBFQLZEMWLPGW-JTQLQIEISA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)cc1=O ZINC001392408477 924015122 /nfs/dbraw/zinc/01/51/22/924015122.db2.gz IVBFQLZEMWLPGW-JTQLQIEISA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2cn[nH]c2)n1 ZINC001392408788 924015913 /nfs/dbraw/zinc/01/59/13/924015913.db2.gz LTSITTCUALKTRI-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001392408494 924016422 /nfs/dbraw/zinc/01/64/22/924016422.db2.gz IXBZILGFYLTAEH-PSASIEDQSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001392408494 924016434 /nfs/dbraw/zinc/01/64/34/924016434.db2.gz IXBZILGFYLTAEH-PSASIEDQSA-N 1 1 310.358 -1.600 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001392413353 924019454 /nfs/dbraw/zinc/01/94/54/924019454.db2.gz RPNUFKRRARDEBJ-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001392413346 924019519 /nfs/dbraw/zinc/01/95/19/924019519.db2.gz RPNUFKRRARDEBJ-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO COc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001392421497 924024699 /nfs/dbraw/zinc/02/46/99/924024699.db2.gz IPANNJBYGLQFEN-LLVKDONJSA-N 1 1 321.341 -1.506 20 0 DAADMO COc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cn1 ZINC001392432142 924029851 /nfs/dbraw/zinc/02/98/51/924029851.db2.gz XSXFYSVQDNMYLQ-SNVBAGLBSA-N 1 1 308.298 -1.251 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001392452764 924034392 /nfs/dbraw/zinc/03/43/92/924034392.db2.gz KFDVVIZXJUYKAS-AEJSXWLSSA-N 1 1 309.374 -1.169 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001392460978 924034427 /nfs/dbraw/zinc/03/44/27/924034427.db2.gz RDOJSMWEMKVMHC-NXEZZACHSA-N 1 1 324.385 -1.073 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001392489661 924038698 /nfs/dbraw/zinc/03/86/98/924038698.db2.gz MFXZLKHFKQKFOS-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001392492765 924040042 /nfs/dbraw/zinc/04/00/42/924040042.db2.gz CPALRXRJKWTAPD-BDAKNGLRSA-N 1 1 316.387 -1.761 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392527793 924044072 /nfs/dbraw/zinc/04/40/72/924044072.db2.gz QWHANWMIIMHUPC-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1ncc(C)cn1 ZINC001392537385 924046509 /nfs/dbraw/zinc/04/65/09/924046509.db2.gz NGJRQUVTIYACNT-SNVBAGLBSA-N 1 1 315.399 -1.071 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001392532406 924046767 /nfs/dbraw/zinc/04/67/67/924046767.db2.gz GSLNHLQFDNWDPE-ZJUUUORDSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CNC(=O)C1CC1)c1nnnn1C ZINC001392547575 924047244 /nfs/dbraw/zinc/04/72/44/924047244.db2.gz MMPZPIJEZWSYTM-DTWKUNHWSA-N 1 1 309.374 -1.108 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001392564760 924048462 /nfs/dbraw/zinc/04/84/62/924048462.db2.gz NGUYXJRUYZWOMX-QMMMGPOBSA-N 1 1 305.360 -1.397 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCOCC1)c1nnnn1C ZINC001392557131 924048523 /nfs/dbraw/zinc/04/85/23/924048523.db2.gz OAHLKQTZCIFOOT-WDEREUQCSA-N 1 1 311.390 -1.302 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CCn1cnnn1 ZINC001392564017 924049581 /nfs/dbraw/zinc/04/95/81/924049581.db2.gz YVNFNKLKIWRFKR-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1COC(=O)N1 ZINC001392558357 924049828 /nfs/dbraw/zinc/04/98/28/924049828.db2.gz UATXAQHOVIZURQ-DTWKUNHWSA-N 1 1 314.321 -1.050 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001392588352 924051139 /nfs/dbraw/zinc/05/11/39/924051139.db2.gz BDLFBRICNFLVEQ-DTWKUNHWSA-N 1 1 310.362 -1.641 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1)c1nncn1C ZINC001392589052 924051265 /nfs/dbraw/zinc/05/12/65/924051265.db2.gz YIXSDNUGHDMQEI-YIZRAAEISA-N 1 1 323.357 -1.432 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392572194 924051574 /nfs/dbraw/zinc/05/15/74/924051574.db2.gz PQWJSCVAVNONDR-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CC1CS(=O)(=O)C1 ZINC001392572540 924051779 /nfs/dbraw/zinc/05/17/79/924051779.db2.gz RDYIDYDAEHUXLH-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392587996 924052724 /nfs/dbraw/zinc/05/27/24/924052724.db2.gz KEJVAOGBQVQYMD-CBAPKCEASA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ncn[nH]1 ZINC001392603680 924054428 /nfs/dbraw/zinc/05/44/28/924054428.db2.gz VLNYDITZUYWKPS-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)c1nc[nH]n1 ZINC001392603680 924054435 /nfs/dbraw/zinc/05/44/35/924054435.db2.gz VLNYDITZUYWKPS-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)c1ncn[nH]1 ZINC001392603684 924054828 /nfs/dbraw/zinc/05/48/28/924054828.db2.gz VLNYDITZUYWKPS-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)c1nc[nH]n1 ZINC001392603684 924054834 /nfs/dbraw/zinc/05/48/34/924054834.db2.gz VLNYDITZUYWKPS-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392634551 924057442 /nfs/dbraw/zinc/05/74/42/924057442.db2.gz KBTZYBBNPRCXOZ-RKDXNWHRSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392634551 924057454 /nfs/dbraw/zinc/05/74/54/924057454.db2.gz KBTZYBBNPRCXOZ-RKDXNWHRSA-N 1 1 315.374 -1.515 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001392630076 924058650 /nfs/dbraw/zinc/05/86/50/924058650.db2.gz VTAGSBCMFUVRFC-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392634542 924059425 /nfs/dbraw/zinc/05/94/25/924059425.db2.gz KBTZYBBNPRCXOZ-DTWKUNHWSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001392634542 924059440 /nfs/dbraw/zinc/05/94/40/924059440.db2.gz KBTZYBBNPRCXOZ-DTWKUNHWSA-N 1 1 315.374 -1.515 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001392646104 924059586 /nfs/dbraw/zinc/05/95/86/924059586.db2.gz WUBJNFHDARBDQF-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001392646104 924059597 /nfs/dbraw/zinc/05/95/97/924059597.db2.gz WUBJNFHDARBDQF-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660011 924060977 /nfs/dbraw/zinc/06/09/77/924060977.db2.gz KWDBCAHWPJMLOQ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660011 924060988 /nfs/dbraw/zinc/06/09/88/924060988.db2.gz KWDBCAHWPJMLOQ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657874 924061335 /nfs/dbraw/zinc/06/13/35/924061335.db2.gz MDVASCVCVJJDPQ-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657874 924061351 /nfs/dbraw/zinc/06/13/51/924061351.db2.gz MDVASCVCVJJDPQ-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653665 924061804 /nfs/dbraw/zinc/06/18/04/924061804.db2.gz GBURQPMPELVVIS-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653665 924061813 /nfs/dbraw/zinc/06/18/13/924061813.db2.gz GBURQPMPELVVIS-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657844 924061965 /nfs/dbraw/zinc/06/19/65/924061965.db2.gz NSHJRDJHLREUKU-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657844 924061976 /nfs/dbraw/zinc/06/19/76/924061976.db2.gz NSHJRDJHLREUKU-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001392653108 924062389 /nfs/dbraw/zinc/06/23/89/924062389.db2.gz QQEYZUDVTKFDII-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001392653108 924062399 /nfs/dbraw/zinc/06/23/99/924062399.db2.gz QQEYZUDVTKFDII-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657867 924062848 /nfs/dbraw/zinc/06/28/48/924062848.db2.gz MDVASCVCVJJDPQ-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657867 924062863 /nfs/dbraw/zinc/06/28/63/924062863.db2.gz MDVASCVCVJJDPQ-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001392659012 924063075 /nfs/dbraw/zinc/06/30/75/924063075.db2.gz HXILUFCXJNLPFM-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001392659012 924063093 /nfs/dbraw/zinc/06/30/93/924063093.db2.gz HXILUFCXJNLPFM-MRVPVSSYSA-N 1 1 324.341 -1.480 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001392655189 924063136 /nfs/dbraw/zinc/06/31/36/924063136.db2.gz DOEWYIQIVCXBCL-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001392655189 924063159 /nfs/dbraw/zinc/06/31/59/924063159.db2.gz DOEWYIQIVCXBCL-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccnnc1 ZINC001392688521 924064756 /nfs/dbraw/zinc/06/47/56/924064756.db2.gz KAVZSPPEPMOYLU-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnnc1 ZINC001392688521 924064766 /nfs/dbraw/zinc/06/47/66/924064766.db2.gz KAVZSPPEPMOYLU-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392676743 924065870 /nfs/dbraw/zinc/06/58/70/924065870.db2.gz KAXIOASZVMKEEM-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392676743 924065885 /nfs/dbraw/zinc/06/58/85/924065885.db2.gz KAXIOASZVMKEEM-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001392684732 924065919 /nfs/dbraw/zinc/06/59/19/924065919.db2.gz DPWYHLBZVSOHOY-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392675345 924066595 /nfs/dbraw/zinc/06/65/95/924066595.db2.gz GOTRDLCVZZCQHX-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392675345 924066611 /nfs/dbraw/zinc/06/66/11/924066611.db2.gz GOTRDLCVZZCQHX-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001392691767 924066819 /nfs/dbraw/zinc/06/68/19/924066819.db2.gz LUKCGXFWNPRCGA-MRVPVSSYSA-N 1 1 305.356 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001392680572 924066995 /nfs/dbraw/zinc/06/69/95/924066995.db2.gz NDDYJFWWJMUEDM-BDAKNGLRSA-N 1 1 321.403 -2.635 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001392680572 924067009 /nfs/dbraw/zinc/06/70/09/924067009.db2.gz NDDYJFWWJMUEDM-BDAKNGLRSA-N 1 1 321.403 -2.635 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCNC1=O ZINC001392684719 924067219 /nfs/dbraw/zinc/06/72/19/924067219.db2.gz DPWYHLBZVSOHOY-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001392707288 924068311 /nfs/dbraw/zinc/06/83/11/924068311.db2.gz KTMGCLMDAUWDBS-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001392707288 924068325 /nfs/dbraw/zinc/06/83/25/924068325.db2.gz KTMGCLMDAUWDBS-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716404 924068965 /nfs/dbraw/zinc/06/89/65/924068965.db2.gz LDGQYYYUQFHQIL-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716404 924068977 /nfs/dbraw/zinc/06/89/77/924068977.db2.gz LDGQYYYUQFHQIL-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704299 924069350 /nfs/dbraw/zinc/06/93/50/924069350.db2.gz BLTQOVBMEZKZAN-QWRGUYRKSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704299 924069364 /nfs/dbraw/zinc/06/93/64/924069364.db2.gz BLTQOVBMEZKZAN-QWRGUYRKSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001392704309 924069549 /nfs/dbraw/zinc/06/95/49/924069549.db2.gz VFIFTCXSJKNXNZ-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001392704309 924069565 /nfs/dbraw/zinc/06/95/65/924069565.db2.gz VFIFTCXSJKNXNZ-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392711638 924070134 /nfs/dbraw/zinc/07/01/34/924070134.db2.gz MUUFNLJBMMJUHQ-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001392711638 924070141 /nfs/dbraw/zinc/07/01/41/924070141.db2.gz MUUFNLJBMMJUHQ-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001392694837 924070155 /nfs/dbraw/zinc/07/01/55/924070155.db2.gz ZRBMZHVBNRHQTN-QMMMGPOBSA-N 1 1 319.387 -1.246 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001392712320 924070417 /nfs/dbraw/zinc/07/04/17/924070417.db2.gz AQCAUMJQINAOHI-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001392734794 924071923 /nfs/dbraw/zinc/07/19/23/924071923.db2.gz OYFTWQFYXOOQNP-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001392734794 924071933 /nfs/dbraw/zinc/07/19/33/924071933.db2.gz OYFTWQFYXOOQNP-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001392718844 924072846 /nfs/dbraw/zinc/07/28/46/924072846.db2.gz VBJYOPOOKPRAMS-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001392718844 924072859 /nfs/dbraw/zinc/07/28/59/924072859.db2.gz VBJYOPOOKPRAMS-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392727659 924073477 /nfs/dbraw/zinc/07/34/77/924073477.db2.gz ACWZJGGUEVCEFU-GUBZILKMSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392727659 924073485 /nfs/dbraw/zinc/07/34/85/924073485.db2.gz ACWZJGGUEVCEFU-GUBZILKMSA-N 1 1 315.374 -2.005 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001392777107 924077323 /nfs/dbraw/zinc/07/73/23/924077323.db2.gz RVFNFHCHQPGYQK-RKDXNWHRSA-N 1 1 309.330 -1.697 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](NC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001392774162 924078454 /nfs/dbraw/zinc/07/84/54/924078454.db2.gz PMWSRKACDSEPPE-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCNS(C)(=O)=O ZINC001392821404 924080099 /nfs/dbraw/zinc/08/00/99/924080099.db2.gz HOFFVBWUVITUHD-NEPJUHHUSA-N 1 1 318.443 -1.180 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001392830374 924082376 /nfs/dbraw/zinc/08/23/76/924082376.db2.gz DBTDUYGPSNZYHR-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001392836446 924083068 /nfs/dbraw/zinc/08/30/68/924083068.db2.gz NGSNVYFCSFMNCC-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O ZINC001392835224 924083134 /nfs/dbraw/zinc/08/31/34/924083134.db2.gz GBLNWBXUIOXFRS-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1)OC ZINC001392828896 924083983 /nfs/dbraw/zinc/08/39/83/924083983.db2.gz AJCAGFWXGJVVGG-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392857606 924085425 /nfs/dbraw/zinc/08/54/25/924085425.db2.gz YOSUMKDTRVHOPY-UTLUCORTSA-N 1 1 314.342 -2.218 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392856976 924085746 /nfs/dbraw/zinc/08/57/46/924085746.db2.gz ANRPKTMTVYIYHT-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392856976 924085758 /nfs/dbraw/zinc/08/57/58/924085758.db2.gz ANRPKTMTVYIYHT-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(C)=O)C1 ZINC001392855545 924085792 /nfs/dbraw/zinc/08/57/92/924085792.db2.gz URDFDSPSODDLLT-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(C)=O)C1 ZINC001392855545 924085808 /nfs/dbraw/zinc/08/58/08/924085808.db2.gz URDFDSPSODDLLT-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001392862427 924086323 /nfs/dbraw/zinc/08/63/23/924086323.db2.gz MRAQICJTJDNNHT-MNOVXSKESA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392856988 924086937 /nfs/dbraw/zinc/08/69/37/924086937.db2.gz ANRPKTMTVYIYHT-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392856988 924086945 /nfs/dbraw/zinc/08/69/45/924086945.db2.gz ANRPKTMTVYIYHT-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001392854258 924087499 /nfs/dbraw/zinc/08/74/99/924087499.db2.gz NVKGNYGKQZUUJD-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001392854258 924087507 /nfs/dbraw/zinc/08/75/07/924087507.db2.gz NVKGNYGKQZUUJD-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001392866678 924089094 /nfs/dbraw/zinc/08/90/94/924089094.db2.gz JKIYWNJGFXFZLI-RYUDHWBXSA-N 1 1 324.385 -1.507 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001392872899 924089675 /nfs/dbraw/zinc/08/96/75/924089675.db2.gz YHVDACCVRJNOCA-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001392872899 924089681 /nfs/dbraw/zinc/08/96/81/924089681.db2.gz YHVDACCVRJNOCA-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881243 924092458 /nfs/dbraw/zinc/09/24/58/924092458.db2.gz WIFMVCXURMBMEF-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881243 924092470 /nfs/dbraw/zinc/09/24/70/924092470.db2.gz WIFMVCXURMBMEF-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001392920824 924094388 /nfs/dbraw/zinc/09/43/88/924094388.db2.gz UIVXINCZXPQFSF-WDEREUQCSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001392920227 924094493 /nfs/dbraw/zinc/09/44/93/924094493.db2.gz AFASOHVYGYJMLN-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001392906931 924095231 /nfs/dbraw/zinc/09/52/31/924095231.db2.gz FFGUSSDPQUDRNQ-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001392906931 924095240 /nfs/dbraw/zinc/09/52/40/924095240.db2.gz FFGUSSDPQUDRNQ-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3cncnc3)CC2)nc1=O ZINC001392901192 924095402 /nfs/dbraw/zinc/09/54/02/924095402.db2.gz WWTAUYFEXYQKRL-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001392902360 924096516 /nfs/dbraw/zinc/09/65/16/924096516.db2.gz HIMCCQIEMHWEJJ-VIFPVBQESA-N 1 1 324.385 -1.239 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CN(C)C(=O)N3)CC2)nn1 ZINC001392928216 924097332 /nfs/dbraw/zinc/09/73/32/924097332.db2.gz XRPPZLINWMIRQS-JTQLQIEISA-N 1 1 307.358 -1.423 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392945622 924099336 /nfs/dbraw/zinc/09/93/36/924099336.db2.gz CLZSCXPISXSKSY-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001392988403 924105501 /nfs/dbraw/zinc/10/55/01/924105501.db2.gz VMTABIZALNYQFD-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392984017 924105849 /nfs/dbraw/zinc/10/58/49/924105849.db2.gz WCUQVODMVOTKAV-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CC[C@@H](C)F)C1 ZINC001393010144 924108036 /nfs/dbraw/zinc/10/80/36/924108036.db2.gz DSCLWVHCZDCIMW-SECBINFHSA-N 1 1 310.395 -1.069 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001393024565 924109479 /nfs/dbraw/zinc/10/94/79/924109479.db2.gz AXZFZDPCWDQTBY-ONGXEEELSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001393024563 924109590 /nfs/dbraw/zinc/10/95/90/924109590.db2.gz AXZFZDPCWDQTBY-MWLCHTKSSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCNC(N)=O)n1 ZINC001393049314 924113974 /nfs/dbraw/zinc/11/39/74/924113974.db2.gz AORVIJKWEMRVFS-LLVKDONJSA-N 1 1 309.374 -1.046 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001393101145 924116000 /nfs/dbraw/zinc/11/60/00/924116000.db2.gz FKINYUQHBFFNRJ-ZDUSSCGKSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001393101145 924116015 /nfs/dbraw/zinc/11/60/15/924116015.db2.gz FKINYUQHBFFNRJ-ZDUSSCGKSA-N 1 1 310.358 -2.092 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001393098556 924116330 /nfs/dbraw/zinc/11/63/30/924116330.db2.gz SFBQXACGDIITSH-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CNC(C)=O)C1 ZINC001393095867 924116914 /nfs/dbraw/zinc/11/69/14/924116914.db2.gz RXFQXEVRVWBBQZ-CYBMUJFWSA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CNC(C)=O)C1 ZINC001393095867 924116917 /nfs/dbraw/zinc/11/69/17/924116917.db2.gz RXFQXEVRVWBBQZ-CYBMUJFWSA-N 1 1 313.358 -1.841 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393112365 924117168 /nfs/dbraw/zinc/11/71/68/924117168.db2.gz YETWDZPSEPGYLY-AMIZOPFISA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393112365 924117173 /nfs/dbraw/zinc/11/71/73/924117173.db2.gz YETWDZPSEPGYLY-AMIZOPFISA-N 1 1 311.342 -1.960 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC)C1 ZINC001393101373 924117247 /nfs/dbraw/zinc/11/72/47/924117247.db2.gz HCKJXWJRDFHAMG-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC)C1 ZINC001393101373 924117252 /nfs/dbraw/zinc/11/72/52/924117252.db2.gz HCKJXWJRDFHAMG-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393112377 924117416 /nfs/dbraw/zinc/11/74/16/924117416.db2.gz YETWDZPSEPGYLY-OQPBUACISA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393112377 924117422 /nfs/dbraw/zinc/11/74/22/924117422.db2.gz YETWDZPSEPGYLY-OQPBUACISA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@]1(NC(=O)CN2CCOCC2=O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393115128 924118974 /nfs/dbraw/zinc/11/89/74/924118974.db2.gz YHBLSKVXTRPBRK-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@]1(NC(=O)CN2CCOCC2=O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393115128 924118987 /nfs/dbraw/zinc/11/89/87/924118987.db2.gz YHBLSKVXTRPBRK-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1)C(N)=O ZINC001393119445 924119591 /nfs/dbraw/zinc/11/95/91/924119591.db2.gz LMPRWNRTSZBJGS-FZMZJTMJSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001393114955 924120025 /nfs/dbraw/zinc/12/00/25/924120025.db2.gz XZFRBAMVHSFORV-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO COC[C@H](O)C[NH2+]C1(CNC(=O)c2cnn[nH]2)CCOCC1 ZINC001393221931 924122963 /nfs/dbraw/zinc/12/29/63/924122963.db2.gz VWZDIZPHWYJKIS-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001393198591 924123428 /nfs/dbraw/zinc/12/34/28/924123428.db2.gz DUIYNGWIAHXBIK-LBPRGKRZSA-N 1 1 322.431 -1.749 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001393236937 924126039 /nfs/dbraw/zinc/12/60/39/924126039.db2.gz IYYMEUHSKOABQK-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO CO[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001393231593 924126276 /nfs/dbraw/zinc/12/62/76/924126276.db2.gz GQNROHDJFDQUPV-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1)NC1CC1 ZINC001393235875 924126912 /nfs/dbraw/zinc/12/69/12/924126912.db2.gz HAWOFMGESFWTLZ-IAQYHMDHSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1)NC1CC1 ZINC001393235875 924126920 /nfs/dbraw/zinc/12/69/20/924126920.db2.gz HAWOFMGESFWTLZ-IAQYHMDHSA-N 1 1 311.382 -1.146 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n(C)n1 ZINC001393234662 924127154 /nfs/dbraw/zinc/12/71/54/924127154.db2.gz KIHRFQYPKJJXMX-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n(C)n1 ZINC001393234662 924127162 /nfs/dbraw/zinc/12/71/62/924127162.db2.gz KIHRFQYPKJJXMX-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)cn1 ZINC001393243054 924129034 /nfs/dbraw/zinc/12/90/34/924129034.db2.gz QVHGGYDGQSXWOK-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)N1 ZINC001393238088 924129567 /nfs/dbraw/zinc/12/95/67/924129567.db2.gz LCGBYOLMCBVVID-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244165 924129942 /nfs/dbraw/zinc/12/99/42/924129942.db2.gz PRDIEDKVVGKGRC-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244165 924129955 /nfs/dbraw/zinc/12/99/55/924129955.db2.gz PRDIEDKVVGKGRC-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001393243043 924130012 /nfs/dbraw/zinc/13/00/12/924130012.db2.gz APNRCZRVHRFJGU-RISCZKNCSA-N 1 1 304.387 -1.292 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CCOC2CCC2)C1 ZINC001393242638 924130534 /nfs/dbraw/zinc/13/05/34/924130534.db2.gz PDKICZPSRGQSBP-AWEZNQCLSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)N1 ZINC001393238098 924130861 /nfs/dbraw/zinc/13/08/61/924130861.db2.gz LCGBYOLMCBVVID-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)cn1 ZINC001393243046 924130900 /nfs/dbraw/zinc/13/09/00/924130900.db2.gz QVHGGYDGQSXWOK-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001393243781 924131182 /nfs/dbraw/zinc/13/11/82/924131182.db2.gz SMRSFRGHKMNODP-JHSHHRBUSA-N 1 1 300.750 -1.021 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243262 924131298 /nfs/dbraw/zinc/13/12/98/924131298.db2.gz RARGQKXYOWROBF-DOMZBBRYSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243275 924131320 /nfs/dbraw/zinc/13/13/20/924131320.db2.gz RARGQKXYOWROBF-IUODEOHRSA-N 1 1 323.397 -1.039 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2ccnc2C1 ZINC001393249316 924131976 /nfs/dbraw/zinc/13/19/76/924131976.db2.gz QOAQPMNOKKJCGP-DOMZBBRYSA-N 1 1 308.382 -1.009 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001393244738 924132714 /nfs/dbraw/zinc/13/27/14/924132714.db2.gz VZCYIBWXSGDRCJ-AAEUAGOBSA-N 1 1 312.374 -1.613 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393246299 924133081 /nfs/dbraw/zinc/13/30/81/924133081.db2.gz BGWRNZHZSBQAGQ-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccoc2)C1 ZINC001393245676 924133144 /nfs/dbraw/zinc/13/31/44/924133144.db2.gz YMFFRABZLGITFC-AWEZNQCLSA-N 1 1 324.337 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccoc2)C1 ZINC001393245676 924133159 /nfs/dbraw/zinc/13/31/59/924133159.db2.gz YMFFRABZLGITFC-AWEZNQCLSA-N 1 1 324.337 -1.098 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393248490 924133485 /nfs/dbraw/zinc/13/34/85/924133485.db2.gz GZUCUGLFYVWHHZ-YMTOWFKASA-N 1 1 323.353 -1.521 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393248490 924133494 /nfs/dbraw/zinc/13/34/94/924133494.db2.gz GZUCUGLFYVWHHZ-YMTOWFKASA-N 1 1 323.353 -1.521 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)c1 ZINC001393245847 924133747 /nfs/dbraw/zinc/13/37/47/924133747.db2.gz CNSZRVDYZPETEQ-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244978 924134431 /nfs/dbraw/zinc/13/44/31/924134431.db2.gz TUHNRZXOMNBFMO-OTYXRUKQSA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244978 924134434 /nfs/dbraw/zinc/13/44/34/924134434.db2.gz TUHNRZXOMNBFMO-OTYXRUKQSA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249473 924134674 /nfs/dbraw/zinc/13/46/74/924134674.db2.gz VOYMQZMYAQHAGF-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249473 924134679 /nfs/dbraw/zinc/13/46/79/924134679.db2.gz VOYMQZMYAQHAGF-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393246300 924134687 /nfs/dbraw/zinc/13/46/87/924134687.db2.gz BGWRNZHZSBQAGQ-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393255020 924135414 /nfs/dbraw/zinc/13/54/14/924135414.db2.gz QTWFFHQQUDODFN-SMDDNHRTSA-N 1 1 312.370 -1.406 20 0 DAADMO CC1(C)C[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393253730 924136180 /nfs/dbraw/zinc/13/61/80/924136180.db2.gz OEIOZYDCKKHOQK-YMTOWFKASA-N 1 1 312.370 -1.220 20 0 DAADMO CC1(C)C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393253730 924136192 /nfs/dbraw/zinc/13/61/92/924136192.db2.gz OEIOZYDCKKHOQK-YMTOWFKASA-N 1 1 312.370 -1.220 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)no1 ZINC001393250660 924136264 /nfs/dbraw/zinc/13/62/64/924136264.db2.gz VGKDEBZHQVFUAR-CQSZACIVSA-N 1 1 312.370 -1.105 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001393251735 924136668 /nfs/dbraw/zinc/13/66/68/924136668.db2.gz UJVFMWUHIOYKTL-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001393251735 924136678 /nfs/dbraw/zinc/13/66/78/924136678.db2.gz UJVFMWUHIOYKTL-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CC1(C)C[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393253725 924137220 /nfs/dbraw/zinc/13/72/20/924137220.db2.gz OEIOZYDCKKHOQK-OTYXRUKQSA-N 1 1 312.370 -1.220 20 0 DAADMO CC1(C)C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393253725 924137227 /nfs/dbraw/zinc/13/72/27/924137227.db2.gz OEIOZYDCKKHOQK-OTYXRUKQSA-N 1 1 312.370 -1.220 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)no1 ZINC001393250659 924137487 /nfs/dbraw/zinc/13/74/87/924137487.db2.gz VGKDEBZHQVFUAR-AWEZNQCLSA-N 1 1 312.370 -1.105 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001393249558 924137693 /nfs/dbraw/zinc/13/76/93/924137693.db2.gz HRJSFMODDJMARR-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001393249558 924137697 /nfs/dbraw/zinc/13/76/97/924137697.db2.gz HRJSFMODDJMARR-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393255360 924137728 /nfs/dbraw/zinc/13/77/28/924137728.db2.gz RLUCMTCIMIKXAM-IUODEOHRSA-N 1 1 316.398 -1.148 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001393253807 924137824 /nfs/dbraw/zinc/13/78/24/924137824.db2.gz ZBRJBQKUQSOQEI-AWEZNQCLSA-N 1 1 309.370 -1.299 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001393256426 924139438 /nfs/dbraw/zinc/13/94/38/924139438.db2.gz LUJFGWZNSKBBQR-LKFCYVNXSA-N 1 1 311.338 -1.074 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001393259144 924139760 /nfs/dbraw/zinc/13/97/60/924139760.db2.gz XMTGJEMFLCFRJU-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001393259144 924139774 /nfs/dbraw/zinc/13/97/74/924139774.db2.gz XMTGJEMFLCFRJU-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393255751 924139993 /nfs/dbraw/zinc/13/99/93/924139993.db2.gz DDKKUSDUTBVYPC-WCQYABFASA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001393255751 924140007 /nfs/dbraw/zinc/14/00/07/924140007.db2.gz DDKKUSDUTBVYPC-WCQYABFASA-N 1 1 320.411 -1.644 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393259506 924140082 /nfs/dbraw/zinc/14/00/82/924140082.db2.gz YGYFLXHOANDTNR-JQWIXIFHSA-N 1 1 323.415 -2.188 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393259515 924140324 /nfs/dbraw/zinc/14/03/24/924140324.db2.gz YGYFLXHOANDTNR-ZYHUDNBSSA-N 1 1 323.415 -2.188 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001393259713 924140406 /nfs/dbraw/zinc/14/04/06/924140406.db2.gz YMCZQPBLDROIIY-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257531 924140730 /nfs/dbraw/zinc/14/07/30/924140730.db2.gz VXWDABXBCZLOEL-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257531 924140737 /nfs/dbraw/zinc/14/07/37/924140737.db2.gz VXWDABXBCZLOEL-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001393259148 924140920 /nfs/dbraw/zinc/14/09/20/924140920.db2.gz XMTGJEMFLCFRJU-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001393259148 924140927 /nfs/dbraw/zinc/14/09/27/924140927.db2.gz XMTGJEMFLCFRJU-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393262377 924141002 /nfs/dbraw/zinc/14/10/02/924141002.db2.gz LMTPEOQHHSMEOD-MFKMUULPSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393255823 924141089 /nfs/dbraw/zinc/14/10/89/924141089.db2.gz QRLXDPMAFJBMIU-HZMBPMFUSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393255823 924141095 /nfs/dbraw/zinc/14/10/95/924141095.db2.gz QRLXDPMAFJBMIU-HZMBPMFUSA-N 1 1 312.370 -2.236 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)nn1C ZINC001393260083 924141424 /nfs/dbraw/zinc/14/14/24/924141424.db2.gz LQCNZOPFINEGKB-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001393259944 924141453 /nfs/dbraw/zinc/14/14/53/924141453.db2.gz YCLPNJAVZQNFED-AWEZNQCLSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001393255925 924141853 /nfs/dbraw/zinc/14/18/53/924141853.db2.gz QYGZBORJKVBYJJ-ZDUSSCGKSA-N 1 1 317.361 -1.196 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001393255925 924141863 /nfs/dbraw/zinc/14/18/63/924141863.db2.gz QYGZBORJKVBYJJ-ZDUSSCGKSA-N 1 1 317.361 -1.196 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001393256481 924142000 /nfs/dbraw/zinc/14/20/00/924142000.db2.gz LUJFGWZNSKBBQR-XPTSAGLGSA-N 1 1 311.338 -1.074 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@]1(O)CCN([C@@H]2CCCNC2=O)C1 ZINC001393271899 924143047 /nfs/dbraw/zinc/14/30/47/924143047.db2.gz HOOCNMXVGLADER-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393270266 924143672 /nfs/dbraw/zinc/14/36/72/924143672.db2.gz DFPBSWVCZSDKFX-ZANVPECISA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270266 924143681 /nfs/dbraw/zinc/14/36/81/924143681.db2.gz DFPBSWVCZSDKFX-ZANVPECISA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270266 924143690 /nfs/dbraw/zinc/14/36/90/924143690.db2.gz DFPBSWVCZSDKFX-ZANVPECISA-N 1 1 316.333 -1.277 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CCNC(N)=O ZINC001393270355 924144029 /nfs/dbraw/zinc/14/40/29/924144029.db2.gz BRNWVFUGHKRGDG-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393265358 924144359 /nfs/dbraw/zinc/14/43/59/924144359.db2.gz SLGCZJBIQFXLCL-PELKAZGASA-N 1 1 304.322 -1.518 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393265358 924144363 /nfs/dbraw/zinc/14/43/63/924144363.db2.gz SLGCZJBIQFXLCL-PELKAZGASA-N 1 1 304.322 -1.518 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001393263536 924144382 /nfs/dbraw/zinc/14/43/82/924144382.db2.gz TZDDMAYQDLGOJJ-CQSZACIVSA-N 1 1 309.370 -1.462 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001393263536 924144388 /nfs/dbraw/zinc/14/43/88/924144388.db2.gz TZDDMAYQDLGOJJ-CQSZACIVSA-N 1 1 309.370 -1.462 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393265367 924144534 /nfs/dbraw/zinc/14/45/34/924144534.db2.gz SLGCZJBIQFXLCL-PRHODGIISA-N 1 1 304.322 -1.518 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393265367 924144540 /nfs/dbraw/zinc/14/45/40/924144540.db2.gz SLGCZJBIQFXLCL-PRHODGIISA-N 1 1 304.322 -1.518 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001393268132 924144790 /nfs/dbraw/zinc/14/47/90/924144790.db2.gz JODCXXGIPBXOME-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001393268132 924144797 /nfs/dbraw/zinc/14/47/97/924144797.db2.gz JODCXXGIPBXOME-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001393268729 924145113 /nfs/dbraw/zinc/14/51/13/924145113.db2.gz BDSAWNHSONATPB-UMVBOHGHSA-N 1 1 316.398 -1.027 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001393278673 924147101 /nfs/dbraw/zinc/14/71/01/924147101.db2.gz SYMXTQPHLVBARS-BMIGLBTASA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001393278673 924147110 /nfs/dbraw/zinc/14/71/10/924147110.db2.gz SYMXTQPHLVBARS-BMIGLBTASA-N 1 1 324.381 -1.076 20 0 DAADMO CNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277018 924147636 /nfs/dbraw/zinc/14/76/36/924147636.db2.gz AFKHGTNAVILBRV-LRDDRELGSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393276368 924147928 /nfs/dbraw/zinc/14/79/28/924147928.db2.gz MULDACVDFPGUCS-GXFFZTMASA-N 1 1 310.358 -2.034 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(=O)[nH]1 ZINC001393277578 924148484 /nfs/dbraw/zinc/14/84/84/924148484.db2.gz QKPONRJGXZMBED-AWEZNQCLSA-N 1 1 308.338 -1.252 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(=O)[nH]1 ZINC001393277578 924148491 /nfs/dbraw/zinc/14/84/91/924148491.db2.gz QKPONRJGXZMBED-AWEZNQCLSA-N 1 1 308.338 -1.252 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393276232 924148676 /nfs/dbraw/zinc/14/86/76/924148676.db2.gz MFTKEFDMXCDEOG-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393276232 924148684 /nfs/dbraw/zinc/14/86/84/924148684.db2.gz MFTKEFDMXCDEOG-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393278366 924148770 /nfs/dbraw/zinc/14/87/70/924148770.db2.gz GWRLTCLTJZPSLG-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274126 924148863 /nfs/dbraw/zinc/14/88/63/924148863.db2.gz HYTSFUYHDJMJEO-OTYXRUKQSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274126 924148871 /nfs/dbraw/zinc/14/88/71/924148871.db2.gz HYTSFUYHDJMJEO-OTYXRUKQSA-N 1 1 323.353 -2.179 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001393274639 924149995 /nfs/dbraw/zinc/14/99/95/924149995.db2.gz IMTQXTPFJCQWSF-LBPRGKRZSA-N 1 1 317.296 -1.001 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001393274639 924150001 /nfs/dbraw/zinc/15/00/01/924150001.db2.gz IMTQXTPFJCQWSF-LBPRGKRZSA-N 1 1 317.296 -1.001 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393278974 924151009 /nfs/dbraw/zinc/15/10/09/924151009.db2.gz RCQCZNIPUGKQEF-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001393280148 924151027 /nfs/dbraw/zinc/15/10/27/924151027.db2.gz JQMSQGJBUSXOMK-DGCLKSJQSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001393280148 924151035 /nfs/dbraw/zinc/15/10/35/924151035.db2.gz JQMSQGJBUSXOMK-DGCLKSJQSA-N 1 1 322.427 -1.134 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279016 924151507 /nfs/dbraw/zinc/15/15/07/924151507.db2.gz RVFYRDALEGIJDL-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393281473 924151811 /nfs/dbraw/zinc/15/18/11/924151811.db2.gz YRUUFUSGQLFSCQ-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393281473 924151822 /nfs/dbraw/zinc/15/18/22/924151822.db2.gz YRUUFUSGQLFSCQ-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393278975 924152722 /nfs/dbraw/zinc/15/27/22/924152722.db2.gz RCQCZNIPUGKQEF-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001393281127 924153599 /nfs/dbraw/zinc/15/35/99/924153599.db2.gz WBVZCJZPAYMVPP-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001393281127 924153606 /nfs/dbraw/zinc/15/36/06/924153606.db2.gz WBVZCJZPAYMVPP-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)CC2 ZINC001393280177 924153929 /nfs/dbraw/zinc/15/39/29/924153929.db2.gz JYDDNEIBOAXDNG-SWLSCSKDSA-N 1 1 323.397 -1.306 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001393289660 924156177 /nfs/dbraw/zinc/15/61/77/924156177.db2.gz JDXUZLIUWQDZCK-TZMCWYRMSA-N 1 1 311.382 -1.288 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284934 924156287 /nfs/dbraw/zinc/15/62/87/924156287.db2.gz YNYXICQTBYKPCQ-SKDRFNHKSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284934 924156299 /nfs/dbraw/zinc/15/62/99/924156299.db2.gz YNYXICQTBYKPCQ-SKDRFNHKSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284932 924156475 /nfs/dbraw/zinc/15/64/75/924156475.db2.gz YNYXICQTBYKPCQ-JOYOIKCWSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284932 924156487 /nfs/dbraw/zinc/15/64/87/924156487.db2.gz YNYXICQTBYKPCQ-JOYOIKCWSA-N 1 1 311.346 -2.510 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)Cc3nc[nH]n3)C2)cn1 ZINC001393287279 924156868 /nfs/dbraw/zinc/15/68/68/924156868.db2.gz WUQLKLAZOSAPQM-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393295305 924158774 /nfs/dbraw/zinc/15/87/74/924158774.db2.gz SXWUHGYQSCWMAF-RISCZKNCSA-N 1 1 316.402 -1.241 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393295319 924159142 /nfs/dbraw/zinc/15/91/42/924159142.db2.gz SXWUHGYQSCWMAF-SMDDNHRTSA-N 1 1 316.402 -1.241 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393295296 924159344 /nfs/dbraw/zinc/15/93/44/924159344.db2.gz SXWUHGYQSCWMAF-BXUZGUMPSA-N 1 1 316.402 -1.241 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)nn1C ZINC001393297178 924160974 /nfs/dbraw/zinc/16/09/74/924160974.db2.gz YICOCOKWNYHULZ-HNNXBMFYSA-N 1 1 323.397 -1.105 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)nn1C ZINC001393297178 924160982 /nfs/dbraw/zinc/16/09/82/924160982.db2.gz YICOCOKWNYHULZ-HNNXBMFYSA-N 1 1 323.397 -1.105 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3ccon3)C2)C1 ZINC001393301080 924161981 /nfs/dbraw/zinc/16/19/81/924161981.db2.gz AZSDWHCFGRDYQN-LBPRGKRZSA-N 1 1 310.354 -1.332 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3ccon3)C2)C1 ZINC001393301080 924161995 /nfs/dbraw/zinc/16/19/95/924161995.db2.gz AZSDWHCFGRDYQN-LBPRGKRZSA-N 1 1 310.354 -1.332 20 0 DAADMO Nc1nccnc1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393302548 924164063 /nfs/dbraw/zinc/16/40/63/924164063.db2.gz GQTOWDXHLDODLA-SNVBAGLBSA-N 1 1 307.354 -1.128 20 0 DAADMO Cn1nccc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001393304053 924164501 /nfs/dbraw/zinc/16/45/01/924164501.db2.gz MFBTZXVBEBNUNB-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1nccc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001393304053 924164510 /nfs/dbraw/zinc/16/45/10/924164510.db2.gz MFBTZXVBEBNUNB-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001393314718 924169246 /nfs/dbraw/zinc/16/92/46/924169246.db2.gz INTYLIYPXVFOBE-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001393323184 924173903 /nfs/dbraw/zinc/17/39/03/924173903.db2.gz ADLYQWCGLVRSBE-UHFFFAOYSA-N 1 1 319.369 -1.354 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@H]3CCOC3)C2)n1 ZINC001393333085 924179616 /nfs/dbraw/zinc/17/96/16/924179616.db2.gz NVBMRGOPCABOQU-JTQLQIEISA-N 1 1 310.358 -1.587 20 0 DAADMO CC1CC(C[NH+]2CC(O)(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001393341113 924185041 /nfs/dbraw/zinc/18/50/41/924185041.db2.gz JJGZLHITONERMW-ILDUYXDCSA-N 1 1 324.381 -1.207 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC001393349562 924186224 /nfs/dbraw/zinc/18/62/24/924186224.db2.gz INQGETZFDLXAKB-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001393355186 924189482 /nfs/dbraw/zinc/18/94/82/924189482.db2.gz YHAHQXCMZIZMCU-NSHDSACASA-N 1 1 314.386 -1.223 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001393355370 924190041 /nfs/dbraw/zinc/19/00/41/924190041.db2.gz AATDWAMIFBAJSS-TXEJJXNPSA-N 1 1 312.414 -1.232 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(CC(=O)N(C)C)C1 ZINC001393356856 924190079 /nfs/dbraw/zinc/19/00/79/924190079.db2.gz BZRSXRHYHHHEIP-UHFFFAOYSA-N 1 1 309.370 -1.557 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001393354061 924190239 /nfs/dbraw/zinc/19/02/39/924190239.db2.gz PTPBUYCEIHBFLY-LBPRGKRZSA-N 1 1 309.370 -1.132 20 0 DAADMO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001393376751 924191692 /nfs/dbraw/zinc/19/16/92/924191692.db2.gz LMVWPJATTOHFKY-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@H](C)OC)C2)C1 ZINC001393360945 924191835 /nfs/dbraw/zinc/19/18/35/924191835.db2.gz OITQGDNAIVWTNQ-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@H](C)OC)C2)C1 ZINC001393360945 924191841 /nfs/dbraw/zinc/19/18/41/924191841.db2.gz OITQGDNAIVWTNQ-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001393376749 924192307 /nfs/dbraw/zinc/19/23/07/924192307.db2.gz LMVWPJATTOHFKY-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO Cn1cc(CCC(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001393367249 924192755 /nfs/dbraw/zinc/19/27/55/924192755.db2.gz NSDHFOKCGBUQHZ-LBPRGKRZSA-N 1 1 323.397 -1.053 20 0 DAADMO Cn1cc(CCC(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001393367236 924193217 /nfs/dbraw/zinc/19/32/17/924193217.db2.gz NSDHFOKCGBUQHZ-GFCCVEGCSA-N 1 1 323.397 -1.053 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001393404107 924195280 /nfs/dbraw/zinc/19/52/80/924195280.db2.gz NHYXFIZUUMCCDU-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393406527 924197419 /nfs/dbraw/zinc/19/74/19/924197419.db2.gz NRNLLQRBKLLMIK-WCFLWFBJSA-N 1 1 310.398 -1.011 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393406527 924197425 /nfs/dbraw/zinc/19/74/25/924197425.db2.gz NRNLLQRBKLLMIK-WCFLWFBJSA-N 1 1 310.398 -1.011 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001393416823 924197535 /nfs/dbraw/zinc/19/75/35/924197535.db2.gz LFAFDKTWKRDDCA-XQQFMLRXSA-N 1 1 309.370 -1.324 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001393411756 924197954 /nfs/dbraw/zinc/19/79/54/924197954.db2.gz GXDHVXIIVFCGBB-GARJFASQSA-N 1 1 311.386 -1.431 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001393406663 924198783 /nfs/dbraw/zinc/19/87/83/924198783.db2.gz OUOWORBARRBDBF-PHIMTYICSA-N 1 1 322.369 -1.865 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C1 ZINC001393406663 924198790 /nfs/dbraw/zinc/19/87/90/924198790.db2.gz OUOWORBARRBDBF-PHIMTYICSA-N 1 1 322.369 -1.865 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001393418111 924198907 /nfs/dbraw/zinc/19/89/07/924198907.db2.gz JLAVDYGFBAHEPU-WHOHXGKFSA-N 1 1 319.427 -1.305 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@]1(CO)CCC[N@H+](C[C@@H](C)O)C1 ZINC001393439988 924201903 /nfs/dbraw/zinc/20/19/03/924201903.db2.gz XIYLTHRLRZGNDH-BXUZGUMPSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(CO)CCC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001393448755 924205110 /nfs/dbraw/zinc/20/51/10/924205110.db2.gz JAIRNWQZCMXWEI-RISCZKNCSA-N 1 1 324.385 -1.197 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393455466 924205855 /nfs/dbraw/zinc/20/58/55/924205855.db2.gz TWERIZGSCDQSEZ-LBPRGKRZSA-N 1 1 323.415 -2.010 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(CO)CCC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001393448751 924207284 /nfs/dbraw/zinc/20/72/84/924207284.db2.gz JAIRNWQZCMXWEI-BXUZGUMPSA-N 1 1 324.385 -1.197 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CNC(=O)NC ZINC001393454844 924207324 /nfs/dbraw/zinc/20/73/24/924207324.db2.gz HZRLHDRYYJWGIF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001393468127 924211985 /nfs/dbraw/zinc/21/19/85/924211985.db2.gz IWZRYBFSCZIVEI-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ccncn1)c1nnnn1C ZINC001393471113 924213143 /nfs/dbraw/zinc/21/31/43/924213143.db2.gz YUEFTRZUYBSPHJ-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C ZINC001393469717 924213480 /nfs/dbraw/zinc/21/34/80/924213480.db2.gz ZPAWESRNMUBPNA-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466123 924213662 /nfs/dbraw/zinc/21/36/62/924213662.db2.gz QXVTVQMMUILNIZ-FZMZJTMJSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466123 924213675 /nfs/dbraw/zinc/21/36/75/924213675.db2.gz QXVTVQMMUILNIZ-FZMZJTMJSA-N 1 1 324.385 -1.515 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001393468940 924213713 /nfs/dbraw/zinc/21/37/13/924213713.db2.gz WQRDTYDEZVZIQQ-SECBINFHSA-N 1 1 312.374 -1.279 20 0 DAADMO O=C(CN1CCCC1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001393486197 924217143 /nfs/dbraw/zinc/21/71/43/924217143.db2.gz XKGGPNDPFPUZHC-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001393533166 924222005 /nfs/dbraw/zinc/22/20/05/924222005.db2.gz YQBNSDTUJJAQTQ-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nncs2)C1 ZINC001393569239 924223958 /nfs/dbraw/zinc/22/39/58/924223958.db2.gz DYRCBLMDBAHICM-SNVBAGLBSA-N 1 1 313.383 -1.009 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001393569236 924224686 /nfs/dbraw/zinc/22/46/86/924224686.db2.gz DYRCBLMDBAHICM-JTQLQIEISA-N 1 1 313.383 -1.009 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001393573772 924228549 /nfs/dbraw/zinc/22/85/49/924228549.db2.gz KKOJGQMZXLAXQY-JTQLQIEISA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001393587091 924229692 /nfs/dbraw/zinc/22/96/92/924229692.db2.gz HFFYUGSFJUZWJP-JTQLQIEISA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001393587091 924229701 /nfs/dbraw/zinc/22/97/01/924229701.db2.gz HFFYUGSFJUZWJP-JTQLQIEISA-N 1 1 322.369 -1.178 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001393591684 924233791 /nfs/dbraw/zinc/23/37/91/924233791.db2.gz SDDLBOUADSNVHW-SECBINFHSA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001393591684 924233802 /nfs/dbraw/zinc/23/38/02/924233802.db2.gz SDDLBOUADSNVHW-SECBINFHSA-N 1 1 323.357 -2.081 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)c1nc[nH]n1 ZINC001393636581 924236786 /nfs/dbraw/zinc/23/67/86/924236786.db2.gz FFROYGRQCVSBCH-UHFFFAOYSA-N 1 1 311.346 -1.346 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001393643159 924236943 /nfs/dbraw/zinc/23/69/43/924236943.db2.gz ZJBCASKLZJQYKM-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CNC(=O)NC ZINC001393621453 924237898 /nfs/dbraw/zinc/23/78/98/924237898.db2.gz HLGNNAQBZZOESP-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001393705918 924244648 /nfs/dbraw/zinc/24/46/48/924244648.db2.gz ZFIMFOXXSJJLDB-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO C[NH+](C)CC1(C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)CC1 ZINC001393691879 924245124 /nfs/dbraw/zinc/24/51/24/924245124.db2.gz KQGSLHPBKBSJBM-HNNXBMFYSA-N 1 1 312.414 -1.243 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001393690621 924245456 /nfs/dbraw/zinc/24/54/56/924245456.db2.gz QHKWZSHMJMKYGH-IINYFYTJSA-N 1 1 311.386 -1.157 20 0 DAADMO COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001393697581 924246038 /nfs/dbraw/zinc/24/60/38/924246038.db2.gz XQIPQPGYJPYUKN-RISCZKNCSA-N 1 1 312.370 -1.026 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001393750791 924251622 /nfs/dbraw/zinc/25/16/22/924251622.db2.gz XFGJEBMXDIPECM-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cnnc1C[NH2+]CC1(O)CCN(C(=O)c2cn[nH]n2)CC1 ZINC001393775219 924255406 /nfs/dbraw/zinc/25/54/06/924255406.db2.gz ZNCLOGZYEIEWCE-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO O=C(Cn1cnnn1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001393836360 924261412 /nfs/dbraw/zinc/26/14/12/924261412.db2.gz SRUHYHOALFTIOZ-JTQLQIEISA-N 1 1 323.357 -2.495 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)c2)CC1 ZINC001393836265 924261644 /nfs/dbraw/zinc/26/16/44/924261644.db2.gz PQCYWSZPPFAEMF-JTQLQIEISA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CC(N)=O)CC2)CC[N@H+]1C ZINC001393842409 924261832 /nfs/dbraw/zinc/26/18/32/924261832.db2.gz PJOHMSGNTXGZRM-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cccnn2)CC1 ZINC001393854137 924263344 /nfs/dbraw/zinc/26/33/44/924263344.db2.gz SBYPOFJVDFCSHU-JTQLQIEISA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cccnn2)CC1 ZINC001393854141 924263195 /nfs/dbraw/zinc/26/31/95/924263195.db2.gz SBYPOFJVDFCSHU-SNVBAGLBSA-N 1 1 307.354 -1.093 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001393848281 924263677 /nfs/dbraw/zinc/26/36/77/924263677.db2.gz GYAKVRZOWUVLMJ-AXFHLTTASA-N 1 1 308.382 -1.176 20 0 DAADMO CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001393858723 924264077 /nfs/dbraw/zinc/26/40/77/924264077.db2.gz HNZPSBMEBRLABX-NSHDSACASA-N 1 1 309.374 -1.183 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ncc[nH]2)CC1 ZINC001393854830 924264098 /nfs/dbraw/zinc/26/40/98/924264098.db2.gz VTPHZUGUOOLJSZ-UHFFFAOYSA-N 1 1 309.370 -1.359 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001393848282 924264164 /nfs/dbraw/zinc/26/41/64/924264164.db2.gz GYAKVRZOWUVLMJ-MXWKQRLJSA-N 1 1 308.382 -1.176 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001393850987 924264761 /nfs/dbraw/zinc/26/47/61/924264761.db2.gz ABJHMNFEZJBTER-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001393880580 924265194 /nfs/dbraw/zinc/26/51/94/924265194.db2.gz GUELIRCUBSTRQW-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COC ZINC001393866845 924267009 /nfs/dbraw/zinc/26/70/09/924267009.db2.gz CYXMVXAWBFNCSX-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n1 ZINC001393950519 924267588 /nfs/dbraw/zinc/26/75/88/924267588.db2.gz NGJNZMOIRCSFMY-VHSXEESVSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)[NH2+]Cc1nncn1C ZINC001393922121 924268012 /nfs/dbraw/zinc/26/80/12/924268012.db2.gz AQQVRSXRZUVNDV-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001393976751 924270433 /nfs/dbraw/zinc/27/04/33/924270433.db2.gz BUJMRQLRMNWBEO-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001393965071 924271776 /nfs/dbraw/zinc/27/17/76/924271776.db2.gz UTRPKFYTSWYVGI-MNOVXSKESA-N 1 1 323.401 -1.770 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)CCNC(N)=O)C1 ZINC001394002399 924272635 /nfs/dbraw/zinc/27/26/35/924272635.db2.gz ZGHOGBZHYUCIQI-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001394017673 924273078 /nfs/dbraw/zinc/27/30/78/924273078.db2.gz LNYPTHYZQVXAFF-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001394053770 924275523 /nfs/dbraw/zinc/27/55/23/924275523.db2.gz PIBFKVMVYHQEJC-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001394053770 924275534 /nfs/dbraw/zinc/27/55/34/924275534.db2.gz PIBFKVMVYHQEJC-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047534 924276430 /nfs/dbraw/zinc/27/64/30/924276430.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047534 924276438 /nfs/dbraw/zinc/27/64/38/924276438.db2.gz OATNOQOILTZWQF-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001394079188 924278091 /nfs/dbraw/zinc/27/80/91/924278091.db2.gz LTWVKCMXQSZZRC-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC001394066779 924278267 /nfs/dbraw/zinc/27/82/67/924278267.db2.gz MZAOMXDRZYIHMT-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC001394066779 924278272 /nfs/dbraw/zinc/27/82/72/924278272.db2.gz MZAOMXDRZYIHMT-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001394079190 924278388 /nfs/dbraw/zinc/27/83/88/924278388.db2.gz LTWVKCMXQSZZRC-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001394091785 924279189 /nfs/dbraw/zinc/27/91/89/924279189.db2.gz HAXNSJFCQVYPLX-SSDOTTSWSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001394091785 924279198 /nfs/dbraw/zinc/27/91/98/924279198.db2.gz HAXNSJFCQVYPLX-SSDOTTSWSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]nnc1C ZINC001394091786 924279754 /nfs/dbraw/zinc/27/97/54/924279754.db2.gz HAXNSJFCQVYPLX-ZETCQYMHSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]nnc1C ZINC001394091786 924279762 /nfs/dbraw/zinc/27/97/62/924279762.db2.gz HAXNSJFCQVYPLX-ZETCQYMHSA-N 1 1 311.346 -1.381 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[N@H+](C)CC(N)=O ZINC001394103514 924279874 /nfs/dbraw/zinc/27/98/74/924279874.db2.gz OZGXFYQFAKDMPC-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[N@@H+](C)CC(N)=O ZINC001394103514 924279885 /nfs/dbraw/zinc/27/98/85/924279885.db2.gz OZGXFYQFAKDMPC-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO Cc1nc(C(=O)NC[C@H](C)[N@@H+](C)CCO)nn1-c1nc[nH]n1 ZINC001394091849 924280050 /nfs/dbraw/zinc/28/00/50/924280050.db2.gz ILBDMYYKKVNWLS-QMMMGPOBSA-N 1 1 308.346 -1.264 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)CC(=O)NC(N)=O ZINC001394115211 924280109 /nfs/dbraw/zinc/28/01/09/924280109.db2.gz UCLIJPPHGSJMCZ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)[C@H]1CCNC1=O ZINC001394102609 924280321 /nfs/dbraw/zinc/28/03/21/924280321.db2.gz SZEDTCYCDWFEIF-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001394102415 924280350 /nfs/dbraw/zinc/28/03/50/924280350.db2.gz LNUXLGRDGGIEEE-VHSXEESVSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)COCc1nncn1C ZINC001394119601 924280870 /nfs/dbraw/zinc/28/08/70/924280870.db2.gz DAQBADWORLSGDC-VHSXEESVSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)COCc1nncn1C ZINC001394119601 924280880 /nfs/dbraw/zinc/28/08/80/924280880.db2.gz DAQBADWORLSGDC-VHSXEESVSA-N 1 1 312.374 -1.358 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394108609 924281462 /nfs/dbraw/zinc/28/14/62/924281462.db2.gz KIIFTYJACJXLQQ-BDAKNGLRSA-N 1 1 304.347 -1.721 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394108609 924281470 /nfs/dbraw/zinc/28/14/70/924281470.db2.gz KIIFTYJACJXLQQ-BDAKNGLRSA-N 1 1 304.347 -1.721 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CC(=O)NC(N)=O ZINC001394121196 924281765 /nfs/dbraw/zinc/28/17/65/924281765.db2.gz FURKHUHMESRKLT-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001394131718 924282772 /nfs/dbraw/zinc/28/27/72/924282772.db2.gz CMOSMGMAWMAHLR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001394131718 924282782 /nfs/dbraw/zinc/28/27/82/924282782.db2.gz CMOSMGMAWMAHLR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135901 924283704 /nfs/dbraw/zinc/28/37/04/924283704.db2.gz OFEXUXNGMNWKAM-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135901 924283713 /nfs/dbraw/zinc/28/37/13/924283713.db2.gz OFEXUXNGMNWKAM-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001394127689 924283746 /nfs/dbraw/zinc/28/37/46/924283746.db2.gz NGSUGZGVFGWJPG-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001394143005 924283994 /nfs/dbraw/zinc/28/39/94/924283994.db2.gz RZRFUBJQOYUDOZ-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001394143005 924284002 /nfs/dbraw/zinc/28/40/02/924284002.db2.gz RZRFUBJQOYUDOZ-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[N@H+](C)CC(=O)N(C)C ZINC001394138089 924284138 /nfs/dbraw/zinc/28/41/38/924284138.db2.gz VSJPIHQNTIKTDU-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1C(N)=O)[N@@H+](C)CC(=O)N(C)C ZINC001394138089 924284147 /nfs/dbraw/zinc/28/41/47/924284147.db2.gz VSJPIHQNTIKTDU-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1ncnc1CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001394147631 924284800 /nfs/dbraw/zinc/28/48/00/924284800.db2.gz OFBDZTARSADAOK-LBPRGKRZSA-N 1 1 322.413 -1.038 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001394208657 924291411 /nfs/dbraw/zinc/29/14/11/924291411.db2.gz BCSCMUKTKJBKBE-SNVBAGLBSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCNS(C)(=O)=O)C1 ZINC001394225084 924291475 /nfs/dbraw/zinc/29/14/75/924291475.db2.gz PFJLUVLIVGZBQC-DTWKUNHWSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001394231437 924291609 /nfs/dbraw/zinc/29/16/09/924291609.db2.gz JOUNRAKOHHHCKM-GXSJLCMTSA-N 1 1 307.358 -1.612 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001394225773 924291874 /nfs/dbraw/zinc/29/18/74/924291874.db2.gz QAEZDBCCALXQJS-VHSXEESVSA-N 1 1 314.386 -1.551 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001394217376 924291884 /nfs/dbraw/zinc/29/18/84/924291884.db2.gz OERCAHLGEUXKLP-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCS(C)(=O)=O)C1 ZINC001394251161 924292574 /nfs/dbraw/zinc/29/25/74/924292574.db2.gz XVCOETCROMHQLE-CMPLNLGQSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001394253944 924293129 /nfs/dbraw/zinc/29/31/29/924293129.db2.gz OTYQKMKJDGZNLH-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CN2CCOCC2)C1 ZINC001394242223 924293228 /nfs/dbraw/zinc/29/32/28/924293228.db2.gz ZSOXVBMGDMIPKK-RYUDHWBXSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001394244054 924293352 /nfs/dbraw/zinc/29/33/52/924293352.db2.gz NFSITOYVGKKVDU-UWVGGRQHSA-N 1 1 324.385 -1.847 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)(C)C1 ZINC001394293624 924294570 /nfs/dbraw/zinc/29/45/70/924294570.db2.gz RNHPXLINKKTNIP-GARJFASQSA-N 1 1 316.402 -1.123 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001394292075 924294895 /nfs/dbraw/zinc/29/48/95/924294895.db2.gz FEXXDXSKQZPWDN-CNDDSTCGSA-N 1 1 316.369 -1.099 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001394292075 924294905 /nfs/dbraw/zinc/29/49/05/924294905.db2.gz FEXXDXSKQZPWDN-CNDDSTCGSA-N 1 1 316.369 -1.099 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001394317950 924296125 /nfs/dbraw/zinc/29/61/25/924296125.db2.gz ZGXNDRMRRFQCEP-AATLWQCWSA-N 1 1 320.353 -1.099 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001394321048 924296656 /nfs/dbraw/zinc/29/66/56/924296656.db2.gz TYXSILYEJYMNMV-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001394307854 924296687 /nfs/dbraw/zinc/29/66/87/924296687.db2.gz ADDMMZPBFSQRPE-KKOKHZNYSA-N 1 1 323.397 -1.431 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)nn1 ZINC001394314290 924296792 /nfs/dbraw/zinc/29/67/92/924296792.db2.gz FFLWJYASZOTRJX-CNDDSTCGSA-N 1 1 316.369 -1.030 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)nn1 ZINC001394314290 924296800 /nfs/dbraw/zinc/29/68/00/924296800.db2.gz FFLWJYASZOTRJX-CNDDSTCGSA-N 1 1 316.369 -1.030 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC001394312962 924297019 /nfs/dbraw/zinc/29/70/19/924297019.db2.gz LAOVQKVFXCBNHE-CNDDSTCGSA-N 1 1 306.366 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001394307848 924297267 /nfs/dbraw/zinc/29/72/67/924297267.db2.gz ADDMMZPBFSQRPE-FIQHERPVSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccnn3)[C@@H]2C1 ZINC001394332356 924297693 /nfs/dbraw/zinc/29/76/93/924297693.db2.gz LPPKLDRZSFYAAC-OWUUHHOZSA-N 1 1 318.337 -1.421 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001394349807 924300465 /nfs/dbraw/zinc/30/04/65/924300465.db2.gz YCOXCGQYNUCKMP-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001394349807 924300473 /nfs/dbraw/zinc/30/04/73/924300473.db2.gz YCOXCGQYNUCKMP-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)O)C2 ZINC001394352358 924300817 /nfs/dbraw/zinc/30/08/17/924300817.db2.gz YYSSCDPTULBFMT-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001394346669 924300918 /nfs/dbraw/zinc/30/09/18/924300918.db2.gz HGRMWUSPUYBXML-UHFFFAOYSA-N 1 1 319.427 -1.028 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001394382114 924301556 /nfs/dbraw/zinc/30/15/56/924301556.db2.gz VBTOFXRKOBZQSG-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](C)C[C@H](O)COC)CC1 ZINC001394384175 924302703 /nfs/dbraw/zinc/30/27/03/924302703.db2.gz BBBDBNOHEYLMNU-LBPRGKRZSA-N 1 1 316.402 -1.155 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cnnn2)n1 ZINC001394467860 924304670 /nfs/dbraw/zinc/30/46/70/924304670.db2.gz SSMCPIPDNCTRSV-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001394533765 924307116 /nfs/dbraw/zinc/30/71/16/924307116.db2.gz UEDWJQXMLDYBQC-RKDXNWHRSA-N 1 1 319.387 -1.056 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001394564923 924308414 /nfs/dbraw/zinc/30/84/14/924308414.db2.gz ZLKLJVGNSRMNLX-QMMMGPOBSA-N 1 1 318.403 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2csnn2)C1 ZINC001394572067 924310892 /nfs/dbraw/zinc/31/08/92/924310892.db2.gz NDFHVXZQMNSGAB-GXSJLCMTSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2csnn2)C1 ZINC001394572067 924310899 /nfs/dbraw/zinc/31/08/99/924310899.db2.gz NDFHVXZQMNSGAB-GXSJLCMTSA-N 1 1 315.399 -1.565 20 0 DAADMO CC[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001394570381 924311466 /nfs/dbraw/zinc/31/14/66/924311466.db2.gz IUNCINFGMIPLJW-GHMZBOCLSA-N 1 1 314.386 -1.942 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001394573504 924312954 /nfs/dbraw/zinc/31/29/54/924312954.db2.gz RGCXJPFWKICIQS-ZYHUDNBSSA-N 1 1 313.358 -1.720 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001394573501 924313916 /nfs/dbraw/zinc/31/39/16/924313916.db2.gz RGCXJPFWKICIQS-CMPLNLGQSA-N 1 1 313.358 -1.720 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001394577147 924315685 /nfs/dbraw/zinc/31/56/85/924315685.db2.gz BMTPWMDKUAXPNI-LBPRGKRZSA-N 1 1 324.385 -1.329 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001394578269 924317313 /nfs/dbraw/zinc/31/73/13/924317313.db2.gz SUTWWZIIXRIWMO-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001394579415 924317605 /nfs/dbraw/zinc/31/76/05/924317605.db2.gz VNQBMWGGDYEPNU-MRVPVSSYSA-N 1 1 307.397 -1.246 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001394579146 924318554 /nfs/dbraw/zinc/31/85/54/924318554.db2.gz IZTRBPKZNWFFOY-LBPRGKRZSA-N 1 1 309.370 -1.033 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001394579141 924318673 /nfs/dbraw/zinc/31/86/73/924318673.db2.gz IZTRBPKZNWFFOY-GFCCVEGCSA-N 1 1 309.370 -1.033 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccc1O ZINC001394582648 924319501 /nfs/dbraw/zinc/31/95/01/924319501.db2.gz HUWBFGYPJPUUEX-SNVBAGLBSA-N 1 1 310.354 -1.054 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)nn1C ZINC001394582626 924320560 /nfs/dbraw/zinc/32/05/60/924320560.db2.gz POWWHLAXLRGADM-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NC(N)=O ZINC001394582174 924320572 /nfs/dbraw/zinc/32/05/72/924320572.db2.gz SFPICMCMPHOZNM-BDAKNGLRSA-N 1 1 301.347 -2.658 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1COC(=O)N1 ZINC001394585948 924321301 /nfs/dbraw/zinc/32/13/01/924321301.db2.gz WLHUPEFGOJYHFA-ZYHUDNBSSA-N 1 1 323.353 -1.496 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1COC(=O)N1 ZINC001394585946 924322170 /nfs/dbraw/zinc/32/21/70/924322170.db2.gz WLHUPEFGOJYHFA-JQWIXIFHSA-N 1 1 323.353 -1.496 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585331 924322476 /nfs/dbraw/zinc/32/24/76/924322476.db2.gz YONCMVOORPIPTK-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585324 924322577 /nfs/dbraw/zinc/32/25/77/924322577.db2.gz YONCMVOORPIPTK-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)n1 ZINC001394585603 924322593 /nfs/dbraw/zinc/32/25/93/924322593.db2.gz LSENXHIJITWPHH-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)c2)n[nH]1 ZINC001394585897 924322710 /nfs/dbraw/zinc/32/27/10/924322710.db2.gz NLPUDZSOKQEPGX-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585312 924322758 /nfs/dbraw/zinc/32/27/58/924322758.db2.gz YONCMVOORPIPTK-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc(C)[nH]1 ZINC001394586358 924323384 /nfs/dbraw/zinc/32/33/84/924323384.db2.gz OBZCKPXPNLIHCI-JTQLQIEISA-N 1 1 322.373 -1.466 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ncc[nH]1)N1CCNC(=O)C1 ZINC001394587557 924323595 /nfs/dbraw/zinc/32/35/95/924323595.db2.gz QAMZJQKCEZXQKQ-SECBINFHSA-N 1 1 324.341 -2.952 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001394587394 924323729 /nfs/dbraw/zinc/32/37/29/924323729.db2.gz SEKCSGOVJVWIID-NSHDSACASA-N 1 1 312.374 -2.286 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CCn2ccnn2)n1 ZINC001394587728 924324103 /nfs/dbraw/zinc/32/41/03/924324103.db2.gz PIXLHPSUUKMBCM-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001394589706 924325447 /nfs/dbraw/zinc/32/54/47/924325447.db2.gz YFILEIGUYVHXHN-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)c2N)ncn1 ZINC001394589137 924325567 /nfs/dbraw/zinc/32/55/67/924325567.db2.gz VZJRDYXFZCBYFD-LLVKDONJSA-N 1 1 319.369 -1.019 20 0 DAADMO CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2ncccc2O)C1=O ZINC001394589234 924325736 /nfs/dbraw/zinc/32/57/36/924325736.db2.gz XOHVFNGZWLMMEM-NXEZZACHSA-N 1 1 308.338 -1.302 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)ncn1 ZINC001394592082 924328801 /nfs/dbraw/zinc/32/88/01/924328801.db2.gz NAAJOCVXYZXBCH-DGCLKSJQSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)cc1=O ZINC001394602312 924332362 /nfs/dbraw/zinc/33/23/62/924332362.db2.gz HVKCFFDMSKJXQO-JTQLQIEISA-N 1 1 306.326 -1.616 20 0 DAADMO CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394607688 924335050 /nfs/dbraw/zinc/33/50/50/924335050.db2.gz PBUAUJUBGYOJAL-GHMZBOCLSA-N 1 1 300.403 -1.328 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001394609246 924336375 /nfs/dbraw/zinc/33/63/75/924336375.db2.gz FVFIHJIKLFJUQM-QMTHXVAHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)ncn1 ZINC001394612411 924338656 /nfs/dbraw/zinc/33/86/56/924338656.db2.gz HOYDIWQGXDOLBH-RYUDHWBXSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001394616433 924339979 /nfs/dbraw/zinc/33/99/79/924339979.db2.gz SJONZDLHJZHXSC-IAQYHMDHSA-N 1 1 323.397 -1.097 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394614280 924340352 /nfs/dbraw/zinc/34/03/52/924340352.db2.gz WQIMREMHGAMEKX-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)nn1C ZINC001394620830 924341190 /nfs/dbraw/zinc/34/11/90/924341190.db2.gz UZTVSCHKUPSKPM-BXKDBHETSA-N 1 1 311.386 -1.193 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001394619325 924342737 /nfs/dbraw/zinc/34/27/37/924342737.db2.gz SCDLYUIRCGOGQS-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN1CCC[C@@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001394624337 924344065 /nfs/dbraw/zinc/34/40/65/924344065.db2.gz WLDOFPOIOBXGGK-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1ccon1 ZINC001394627054 924345016 /nfs/dbraw/zinc/34/50/16/924345016.db2.gz UYWVIMYGNQATJT-QISWUMQESA-N 1 1 324.337 -1.428 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001394625276 924345150 /nfs/dbraw/zinc/34/51/50/924345150.db2.gz QDTICWNPOFMHBG-KOLCDFICSA-N 1 1 310.358 -1.997 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001394629003 924345829 /nfs/dbraw/zinc/34/58/29/924345829.db2.gz AXAHVLSXISOELO-UTUOFQBUSA-N 1 1 322.365 -1.222 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC12CC2)N1CCNC(=O)C1 ZINC001394630608 924346303 /nfs/dbraw/zinc/34/63/03/924346303.db2.gz KAUKOCAULHADKB-QWRGUYRKSA-N 1 1 324.381 -2.188 20 0 DAADMO CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394633801 924347109 /nfs/dbraw/zinc/34/71/09/924347109.db2.gz SNMICDBHUWZTRI-YPMHNXCESA-N 1 1 314.430 -1.081 20 0 DAADMO Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001394632057 924347324 /nfs/dbraw/zinc/34/73/24/924347324.db2.gz NCOILFJPRDFZDV-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001394640656 924347846 /nfs/dbraw/zinc/34/78/46/924347846.db2.gz COGAUHBNYPDBAW-SNVBAGLBSA-N 1 1 321.341 -1.587 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1)c1cnccn1 ZINC001394640497 924348274 /nfs/dbraw/zinc/34/82/74/924348274.db2.gz BUGMQVJAWMNAFD-VHSXEESVSA-N 1 1 305.342 -1.035 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2cnn(C)n2)C1 ZINC001394634775 924348295 /nfs/dbraw/zinc/34/82/95/924348295.db2.gz KUVZQIBSHQDGPZ-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1)c1cnccn1 ZINC001394640495 924349271 /nfs/dbraw/zinc/34/92/71/924349271.db2.gz BUGMQVJAWMNAFD-UWVGGRQHSA-N 1 1 305.342 -1.035 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001394645325 924353474 /nfs/dbraw/zinc/35/34/74/924353474.db2.gz VACFOOWMDOMIPL-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001394645325 924353481 /nfs/dbraw/zinc/35/34/81/924353481.db2.gz VACFOOWMDOMIPL-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NCc1nc(=O)n(C)[nH]1 ZINC001394647661 924353753 /nfs/dbraw/zinc/35/37/53/924353753.db2.gz QETQKXLOUGEZDL-SNVBAGLBSA-N 1 1 314.390 -1.985 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394652266 924354584 /nfs/dbraw/zinc/35/45/84/924354584.db2.gz LWLHGYUONZCBIN-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001394651046 924355017 /nfs/dbraw/zinc/35/50/17/924355017.db2.gz XMDKCFHOJKTFAB-QWRGUYRKSA-N 1 1 323.353 -1.670 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001394652232 924355251 /nfs/dbraw/zinc/35/52/51/924355251.db2.gz WPJXXVZGXKLHBA-NSHDSACASA-N 1 1 313.333 -1.154 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnoc1C ZINC001394651015 924355679 /nfs/dbraw/zinc/35/56/79/924355679.db2.gz HFXSZYIKIIMKOV-JTQLQIEISA-N 1 1 320.371 -1.901 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCNC(N)=O ZINC001394674384 924361054 /nfs/dbraw/zinc/36/10/54/924361054.db2.gz HYJZSKHUIVHCFY-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001394677767 924361418 /nfs/dbraw/zinc/36/14/18/924361418.db2.gz JAMJTQKHCCXJAD-RISCZKNCSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCCC(N)=O ZINC001394677991 924361607 /nfs/dbraw/zinc/36/16/07/924361607.db2.gz HTTQPGPUKMOSEU-ZJUUUORDSA-N 1 1 309.374 -1.055 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CCO ZINC001394718669 924362900 /nfs/dbraw/zinc/36/29/00/924362900.db2.gz SUWIFVJZHWEQPO-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001394714591 924364039 /nfs/dbraw/zinc/36/40/39/924364039.db2.gz AWDOUIVOQCLTQM-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1COC(=O)N1 ZINC001394731926 924365324 /nfs/dbraw/zinc/36/53/24/924365324.db2.gz AQHVHUDQLHSSEN-ZJUUUORDSA-N 1 1 309.326 -1.506 20 0 DAADMO CN(C[C@@H](O)CNCc1cn(C)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394732193 924366888 /nfs/dbraw/zinc/36/68/88/924366888.db2.gz RDAIBQMBMLKDDK-STQMWFEESA-N 1 1 310.402 -1.182 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)nnn1C ZINC001394734071 924368519 /nfs/dbraw/zinc/36/85/19/924368519.db2.gz HYYNZXVHKXIPSV-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@H]1CCOC1 ZINC001394735820 924370039 /nfs/dbraw/zinc/37/00/39/924370039.db2.gz PEGHKHJSQNMHFS-MNOVXSKESA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cc[nH]n1 ZINC001394736858 924370525 /nfs/dbraw/zinc/37/05/25/924370525.db2.gz RCWLZFNSQCDZBB-GFCCVEGCSA-N 1 1 307.358 -1.310 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001394741640 924370936 /nfs/dbraw/zinc/37/09/36/924370936.db2.gz JTHSACDILRJGBI-YUMQZZPRSA-N 1 1 309.334 -1.888 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCNC(=O)C1 ZINC001394743411 924371665 /nfs/dbraw/zinc/37/16/65/924371665.db2.gz XJWCPYOTRXFOFM-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)nn1)c1nncn1C ZINC001394738671 924372560 /nfs/dbraw/zinc/37/25/60/924372560.db2.gz WVQOYMNGAKCXQR-VHSXEESVSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001394743415 924372673 /nfs/dbraw/zinc/37/26/73/924372673.db2.gz XJWCPYOTRXFOFM-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnoc1 ZINC001394748804 924373242 /nfs/dbraw/zinc/37/32/42/924373242.db2.gz YPGWOZBJBZPKRM-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]1(F)CCOC1 ZINC001394747998 924373272 /nfs/dbraw/zinc/37/32/72/924373272.db2.gz OZSCYIXFJPNWNX-YPMHNXCESA-N 1 1 315.349 -1.147 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001394744949 924374179 /nfs/dbraw/zinc/37/41/79/924374179.db2.gz ORMFJNRNUUENAX-SNVBAGLBSA-N 1 1 323.357 -1.225 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccn(C)c(=O)c1 ZINC001394746488 924374608 /nfs/dbraw/zinc/37/46/08/924374608.db2.gz UCMRPFFYAKADGY-LBPRGKRZSA-N 1 1 321.337 -1.009 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1c[nH]c(=O)n1C ZINC001394750267 924375362 /nfs/dbraw/zinc/37/53/62/924375362.db2.gz IIRIAKNTLYOYOS-SECBINFHSA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394751335 924376001 /nfs/dbraw/zinc/37/60/01/924376001.db2.gz NABHEAWEWDEAFE-WDEREUQCSA-N 1 1 311.390 -1.787 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccnnc1 ZINC001394753345 924376314 /nfs/dbraw/zinc/37/63/14/924376314.db2.gz IWJQJIJSOLHBOI-GFCCVEGCSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001394751359 924376678 /nfs/dbraw/zinc/37/66/78/924376678.db2.gz NAXLEQUWTKFNSS-MNOVXSKESA-N 1 1 322.369 -1.591 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394751254 924377261 /nfs/dbraw/zinc/37/72/61/924377261.db2.gz YXNKKVVSKJNJFN-BBBLOLIVSA-N 1 1 311.342 -1.592 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394753973 924378372 /nfs/dbraw/zinc/37/83/72/924378372.db2.gz UHLNDWWFRBXBOJ-MEWQQHAOSA-N 1 1 309.370 -1.384 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)[nH]1 ZINC001394755064 924378817 /nfs/dbraw/zinc/37/88/17/924378817.db2.gz VHYYPAHAJOJEHK-WPRPVWTQSA-N 1 1 312.374 -1.466 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ncc[nH]1 ZINC001394757328 924379217 /nfs/dbraw/zinc/37/92/17/924379217.db2.gz MNVLONDKLHNFQS-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)co1 ZINC001394754786 924379644 /nfs/dbraw/zinc/37/96/44/924379644.db2.gz BKKDFYGUQQSXKN-WDEREUQCSA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1n[nH]cc1F ZINC001394759926 924380354 /nfs/dbraw/zinc/38/03/54/924380354.db2.gz LNSKBQLIBYVMCO-MRVPVSSYSA-N 1 1 311.321 -1.100 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)n1 ZINC001394758299 924381558 /nfs/dbraw/zinc/38/15/58/924381558.db2.gz PETCWUVNTQAKPC-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001394767547 924382228 /nfs/dbraw/zinc/38/22/28/924382228.db2.gz YPJSRCZAUMOWJV-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001394769564 924382866 /nfs/dbraw/zinc/38/28/66/924382866.db2.gz QZFZNVCFYONVIG-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001394769564 924382875 /nfs/dbraw/zinc/38/28/75/924382875.db2.gz QZFZNVCFYONVIG-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001394770896 924383209 /nfs/dbraw/zinc/38/32/09/924383209.db2.gz SRJGDWOTUSXKDA-STQMWFEESA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394764878 924383449 /nfs/dbraw/zinc/38/34/49/924383449.db2.gz BVORUQABYKPJNS-ONGXEEELSA-N 1 1 302.375 -1.910 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394764878 924383456 /nfs/dbraw/zinc/38/34/56/924383456.db2.gz BVORUQABYKPJNS-ONGXEEELSA-N 1 1 302.375 -1.910 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)C ZINC001394764917 924383776 /nfs/dbraw/zinc/38/37/76/924383776.db2.gz CBWTWJIVQOTIPS-JTQLQIEISA-N 1 1 302.375 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)C ZINC001394764917 924383780 /nfs/dbraw/zinc/38/37/80/924383780.db2.gz CBWTWJIVQOTIPS-JTQLQIEISA-N 1 1 302.375 -1.151 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774862 924384717 /nfs/dbraw/zinc/38/47/17/924384717.db2.gz BLWUHXHDKCGMAO-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774862 924384727 /nfs/dbraw/zinc/38/47/27/924384727.db2.gz BLWUHXHDKCGMAO-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394777264 924384937 /nfs/dbraw/zinc/38/49/37/924384937.db2.gz WQASTQKIRLEEQT-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394777264 924384938 /nfs/dbraw/zinc/38/49/38/924384938.db2.gz WQASTQKIRLEEQT-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001394776068 924385084 /nfs/dbraw/zinc/38/50/84/924385084.db2.gz IFBPABWLCTZZDY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001394776068 924385089 /nfs/dbraw/zinc/38/50/89/924385089.db2.gz IFBPABWLCTZZDY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001394777232 924385753 /nfs/dbraw/zinc/38/57/53/924385753.db2.gz SBLUJIAIMYSTLA-WCQYABFASA-N 1 1 303.403 -1.157 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001394777232 924385757 /nfs/dbraw/zinc/38/57/57/924385757.db2.gz SBLUJIAIMYSTLA-WCQYABFASA-N 1 1 303.403 -1.157 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001394777955 924385813 /nfs/dbraw/zinc/38/58/13/924385813.db2.gz WJEGIPMYJXOVGB-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001394777955 924385818 /nfs/dbraw/zinc/38/58/18/924385818.db2.gz WJEGIPMYJXOVGB-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394774407 924385884 /nfs/dbraw/zinc/38/58/84/924385884.db2.gz DGHDDLVRNJIRAR-BDAKNGLRSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394774407 924385888 /nfs/dbraw/zinc/38/58/88/924385888.db2.gz DGHDDLVRNJIRAR-BDAKNGLRSA-N 1 1 303.363 -2.460 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cn1cc(C2CC2)nn1 ZINC001394776359 924386126 /nfs/dbraw/zinc/38/61/26/924386126.db2.gz KLCIYGWDRBMSDW-LBPRGKRZSA-N 1 1 311.386 -1.101 20 0 DAADMO Cc1noc(CCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394782813 924387494 /nfs/dbraw/zinc/38/74/94/924387494.db2.gz NIYPHRAYQUDWNB-JTQLQIEISA-N 1 1 313.358 -1.453 20 0 DAADMO Cc1noc(CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394782813 924387501 /nfs/dbraw/zinc/38/75/01/924387501.db2.gz NIYPHRAYQUDWNB-JTQLQIEISA-N 1 1 313.358 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786622 924387524 /nfs/dbraw/zinc/38/75/24/924387524.db2.gz BFPZIBADOLOQGU-RYUDHWBXSA-N 1 1 324.381 -1.527 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786622 924387531 /nfs/dbraw/zinc/38/75/31/924387531.db2.gz BFPZIBADOLOQGU-RYUDHWBXSA-N 1 1 324.381 -1.527 20 0 DAADMO Cc1noc(CCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394782830 924387861 /nfs/dbraw/zinc/38/78/61/924387861.db2.gz NIYPHRAYQUDWNB-SNVBAGLBSA-N 1 1 313.358 -1.453 20 0 DAADMO Cc1noc(CCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394782830 924387863 /nfs/dbraw/zinc/38/78/63/924387863.db2.gz NIYPHRAYQUDWNB-SNVBAGLBSA-N 1 1 313.358 -1.453 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001394782908 924387940 /nfs/dbraw/zinc/38/79/40/924387940.db2.gz HXQQUAXADCTOEE-NEPJUHHUSA-N 1 1 312.370 -1.151 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001394780179 924388119 /nfs/dbraw/zinc/38/81/19/924388119.db2.gz DSMGHENXTIUBMB-LLVKDONJSA-N 1 1 311.386 -1.242 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001394780179 924388126 /nfs/dbraw/zinc/38/81/26/924388126.db2.gz DSMGHENXTIUBMB-LLVKDONJSA-N 1 1 311.386 -1.242 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCNC(=O)CC1 ZINC001394779449 924388223 /nfs/dbraw/zinc/38/82/23/924388223.db2.gz FUCRLXGNFMCKSK-NEPJUHHUSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001394780071 924388769 /nfs/dbraw/zinc/38/87/69/924388769.db2.gz WDFLTBZNBVZQQG-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001394780071 924388777 /nfs/dbraw/zinc/38/87/77/924388777.db2.gz WDFLTBZNBVZQQG-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001394780237 924388950 /nfs/dbraw/zinc/38/89/50/924388950.db2.gz WRALUOUYTMKRNU-NSHDSACASA-N 1 1 312.370 -1.682 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001394785755 924389041 /nfs/dbraw/zinc/38/90/41/924389041.db2.gz QVAOULDASLRORB-SNVBAGLBSA-N 1 1 312.370 -1.531 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394779897 924389093 /nfs/dbraw/zinc/38/90/93/924389093.db2.gz JJUDTEGODRYOHZ-NXEZZACHSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394779897 924389102 /nfs/dbraw/zinc/38/91/02/924389102.db2.gz JJUDTEGODRYOHZ-NXEZZACHSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394779899 924389256 /nfs/dbraw/zinc/38/92/56/924389256.db2.gz JJUDTEGODRYOHZ-VHSXEESVSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394779899 924389263 /nfs/dbraw/zinc/38/92/63/924389263.db2.gz JJUDTEGODRYOHZ-VHSXEESVSA-N 1 1 313.358 -1.455 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001394794720 924390010 /nfs/dbraw/zinc/39/00/10/924390010.db2.gz XIEULYKJOKLTIT-SECBINFHSA-N 1 1 313.358 -2.426 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001394794720 924390015 /nfs/dbraw/zinc/39/00/15/924390015.db2.gz XIEULYKJOKLTIT-SECBINFHSA-N 1 1 313.358 -2.426 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791123 924390027 /nfs/dbraw/zinc/39/00/27/924390027.db2.gz SJKYKRNNALRLIW-PSASIEDQSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791123 924390030 /nfs/dbraw/zinc/39/00/30/924390030.db2.gz SJKYKRNNALRLIW-PSASIEDQSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790940 924390449 /nfs/dbraw/zinc/39/04/49/924390449.db2.gz DVQOWCGINRUABE-GHMZBOCLSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790940 924390458 /nfs/dbraw/zinc/39/04/58/924390458.db2.gz DVQOWCGINRUABE-GHMZBOCLSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001394794223 924390652 /nfs/dbraw/zinc/39/06/52/924390652.db2.gz WFEFECOSQLTIKY-CMPLNLGQSA-N 1 1 324.381 -1.074 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394794612 924390923 /nfs/dbraw/zinc/39/09/23/924390923.db2.gz OYWCHAVQUZILJM-AXFHLTTASA-N 1 1 314.386 -2.005 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394794612 924390931 /nfs/dbraw/zinc/39/09/31/924390931.db2.gz OYWCHAVQUZILJM-AXFHLTTASA-N 1 1 314.386 -2.005 20 0 DAADMO CCn1nc(C)c(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394794166 924390973 /nfs/dbraw/zinc/39/09/73/924390973.db2.gz VTDDMLMRTSYBKR-SNVBAGLBSA-N 1 1 312.374 -1.544 20 0 DAADMO CCn1nc(C)c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394794166 924390979 /nfs/dbraw/zinc/39/09/79/924390979.db2.gz VTDDMLMRTSYBKR-SNVBAGLBSA-N 1 1 312.374 -1.544 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC(=O)N1C ZINC001394787730 924391446 /nfs/dbraw/zinc/39/14/46/924391446.db2.gz LSXJDSDGAJPLKW-NEPJUHHUSA-N 1 1 301.387 -1.259 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394789529 924391888 /nfs/dbraw/zinc/39/18/88/924391888.db2.gz YHHGWDOZPROSKE-GFCCVEGCSA-N 1 1 311.386 -1.311 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394789529 924391891 /nfs/dbraw/zinc/39/18/91/924391891.db2.gz YHHGWDOZPROSKE-GFCCVEGCSA-N 1 1 311.386 -1.311 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001394793259 924392143 /nfs/dbraw/zinc/39/21/43/924392143.db2.gz VBRRZVCKKOYBED-NEPJUHHUSA-N 1 1 316.402 -1.337 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793021 924392335 /nfs/dbraw/zinc/39/23/35/924392335.db2.gz TZOLZXQXUOKLLO-CMPLNLGQSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793021 924392343 /nfs/dbraw/zinc/39/23/43/924392343.db2.gz TZOLZXQXUOKLLO-CMPLNLGQSA-N 1 1 311.386 -1.240 20 0 DAADMO Cc1ccnc2nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)nn21 ZINC001394789619 924392409 /nfs/dbraw/zinc/39/24/09/924392409.db2.gz GYXYYAHHOJHRDE-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791125 924392456 /nfs/dbraw/zinc/39/24/56/924392456.db2.gz SJKYKRNNALRLIW-WCBMZHEXSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791125 924392465 /nfs/dbraw/zinc/39/24/65/924392465.db2.gz SJKYKRNNALRLIW-WCBMZHEXSA-N 1 1 311.342 -1.579 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCNC1=O ZINC001394837439 924392955 /nfs/dbraw/zinc/39/29/55/924392955.db2.gz OLQYZJHYASSWEO-UWVGGRQHSA-N 1 1 313.358 -2.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCNC1=O ZINC001394837439 924392965 /nfs/dbraw/zinc/39/29/65/924392965.db2.gz OLQYZJHYASSWEO-UWVGGRQHSA-N 1 1 313.358 -2.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)C[C@@H](C)O ZINC001394830000 924393189 /nfs/dbraw/zinc/39/31/89/924393189.db2.gz XKVXKOQVHCAJTP-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)c1)[C@H]1CCNC1=O ZINC001394828834 924393467 /nfs/dbraw/zinc/39/34/67/924393467.db2.gz DGGQCHFNIYCBCG-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)c1)[C@H]1CCNC1=O ZINC001394828834 924393476 /nfs/dbraw/zinc/39/34/76/924393476.db2.gz DGGQCHFNIYCBCG-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)c1)[C@@H]1CCNC1=O ZINC001394828833 924393808 /nfs/dbraw/zinc/39/38/08/924393808.db2.gz DGGQCHFNIYCBCG-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)c1)[C@@H]1CCNC1=O ZINC001394828833 924393817 /nfs/dbraw/zinc/39/38/17/924393817.db2.gz DGGQCHFNIYCBCG-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C(=O)c1nnn(C)n1)C(C)C ZINC001394803347 924394375 /nfs/dbraw/zinc/39/43/75/924394375.db2.gz AHFUEBOFAGVMQO-LLVKDONJSA-N 1 1 314.390 -1.000 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001394810427 924394481 /nfs/dbraw/zinc/39/44/81/924394481.db2.gz XEWZNHPAXUGXAB-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001394810427 924394488 /nfs/dbraw/zinc/39/44/88/924394488.db2.gz XEWZNHPAXUGXAB-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)C[C@H]1CCOC1 ZINC001394839661 924394654 /nfs/dbraw/zinc/39/46/54/924394654.db2.gz OVFRUVHIHARSNX-LLVKDONJSA-N 1 1 312.374 -1.075 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001394796487 924394724 /nfs/dbraw/zinc/39/47/24/924394724.db2.gz ZZUQLAQFPHBMFU-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001394796487 924394730 /nfs/dbraw/zinc/39/47/30/924394730.db2.gz ZZUQLAQFPHBMFU-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001394969290 924397700 /nfs/dbraw/zinc/39/77/00/924397700.db2.gz KZNTUZKZQNVVSI-MNOVXSKESA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395124439 924402215 /nfs/dbraw/zinc/40/22/15/924402215.db2.gz FOZRHQCBEKFHQI-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395124439 924402220 /nfs/dbraw/zinc/40/22/20/924402220.db2.gz FOZRHQCBEKFHQI-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395519962 924416958 /nfs/dbraw/zinc/41/69/58/924416958.db2.gz RIUYHTUJONWREK-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395519962 924416961 /nfs/dbraw/zinc/41/69/61/924416961.db2.gz RIUYHTUJONWREK-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001395587072 924420021 /nfs/dbraw/zinc/42/00/21/924420021.db2.gz VKURAQJKVLIMCV-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001395660374 924425503 /nfs/dbraw/zinc/42/55/03/924425503.db2.gz XUSUABBHRYGRBH-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395686538 924429950 /nfs/dbraw/zinc/42/99/50/924429950.db2.gz PUUJZBDBOKHPMM-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395686538 924429956 /nfs/dbraw/zinc/42/99/56/924429956.db2.gz PUUJZBDBOKHPMM-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001395691758 924434422 /nfs/dbraw/zinc/43/44/22/924434422.db2.gz KPYLPCLHGTWTPR-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001395691758 924434427 /nfs/dbraw/zinc/43/44/27/924434427.db2.gz KPYLPCLHGTWTPR-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698342 924437603 /nfs/dbraw/zinc/43/76/03/924437603.db2.gz ASFOTQWZMXYEJK-PWSUYJOCSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698342 924437613 /nfs/dbraw/zinc/43/76/13/924437613.db2.gz ASFOTQWZMXYEJK-PWSUYJOCSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703882 924441058 /nfs/dbraw/zinc/44/10/58/924441058.db2.gz VJPMNAUGRQCWKH-UWVGGRQHSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703882 924441064 /nfs/dbraw/zinc/44/10/64/924441064.db2.gz VJPMNAUGRQCWKH-UWVGGRQHSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705782 924442018 /nfs/dbraw/zinc/44/20/18/924442018.db2.gz FRDDNRONLBGKEF-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705782 924442024 /nfs/dbraw/zinc/44/20/24/924442024.db2.gz FRDDNRONLBGKEF-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001395709403 924443730 /nfs/dbraw/zinc/44/37/30/924443730.db2.gz VSJKETCSADXJEN-MNOVXSKESA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1ccc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001395711235 924445648 /nfs/dbraw/zinc/44/56/48/924445648.db2.gz TXYNTLZSQFBRTM-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001395711228 924445828 /nfs/dbraw/zinc/44/58/28/924445828.db2.gz TXYNTLZSQFBRTM-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001395715847 924446635 /nfs/dbraw/zinc/44/66/35/924446635.db2.gz MGMZAMAASNVXTM-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnnn1C ZINC001395716890 924447464 /nfs/dbraw/zinc/44/74/64/924447464.db2.gz QKAHBDJBABNUBY-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1cnnn1C ZINC001395719086 924448894 /nfs/dbraw/zinc/44/88/94/924448894.db2.gz YJFUPUVUFZLOBQ-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncn(C)n2)C1 ZINC001395723611 924450827 /nfs/dbraw/zinc/45/08/27/924450827.db2.gz HCDXGSJNIGLVLI-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001395726235 924450940 /nfs/dbraw/zinc/45/09/40/924450940.db2.gz RDPZNEPPAGNFLE-VHSXEESVSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001395725435 924451498 /nfs/dbraw/zinc/45/14/98/924451498.db2.gz LIJXTRXWQSAHAI-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001395725930 924451716 /nfs/dbraw/zinc/45/17/16/924451716.db2.gz NLEIZFQJEBZFKP-PWSUYJOCSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001395725440 924451925 /nfs/dbraw/zinc/45/19/25/924451925.db2.gz LIJXTRXWQSAHAI-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001395727426 924453476 /nfs/dbraw/zinc/45/34/76/924453476.db2.gz QOBMWULQLQANTF-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1nccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395733528 924453928 /nfs/dbraw/zinc/45/39/28/924453928.db2.gz LWOXHWPIVMMJNL-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001395733386 924454364 /nfs/dbraw/zinc/45/43/64/924454364.db2.gz BVNDVNGWDVHHHY-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001395732782 924454680 /nfs/dbraw/zinc/45/46/80/924454680.db2.gz ZZUWYSVCSKVBLO-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ncccn2)C1 ZINC001395733835 924454724 /nfs/dbraw/zinc/45/47/24/924454724.db2.gz CYIJVVOGBGYCND-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001395737322 924455762 /nfs/dbraw/zinc/45/57/62/924455762.db2.gz MVZMOFGBUFGVFF-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395737356 924455894 /nfs/dbraw/zinc/45/58/94/924455894.db2.gz MZXWCAUOHFCSST-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ccn(C)n2)C1 ZINC001395739033 924455944 /nfs/dbraw/zinc/45/59/44/924455944.db2.gz SGOJLFVTIFKRNN-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395737354 924455980 /nfs/dbraw/zinc/45/59/80/924455980.db2.gz MZXWCAUOHFCSST-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001395737313 924456136 /nfs/dbraw/zinc/45/61/36/924456136.db2.gz MVZMOFGBUFGVFF-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001395737417 924456249 /nfs/dbraw/zinc/45/62/49/924456249.db2.gz NJQSKXVSFZNPPR-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737417 924456256 /nfs/dbraw/zinc/45/62/56/924456256.db2.gz NJQSKXVSFZNPPR-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737417 924456262 /nfs/dbraw/zinc/45/62/62/924456262.db2.gz NJQSKXVSFZNPPR-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001395736811 924457048 /nfs/dbraw/zinc/45/70/48/924457048.db2.gz LYZBJAOFOODRLE-AAEUAGOBSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]n1 ZINC001395736811 924457053 /nfs/dbraw/zinc/45/70/53/924457053.db2.gz LYZBJAOFOODRLE-AAEUAGOBSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001395736811 924457059 /nfs/dbraw/zinc/45/70/59/924457059.db2.gz LYZBJAOFOODRLE-AAEUAGOBSA-N 1 1 323.397 -1.194 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnsn2)C1 ZINC001395741217 924458244 /nfs/dbraw/zinc/45/82/44/924458244.db2.gz XHKMLYKYMBMQBA-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001395744584 924459236 /nfs/dbraw/zinc/45/92/36/924459236.db2.gz SSWUSVMYGYDVTE-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)CC[N@H+]1C ZINC001395744736 924459684 /nfs/dbraw/zinc/45/96/84/924459684.db2.gz UCYNDATUXJKTHO-GRYCIOLGSA-N 1 1 324.385 -1.788 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cncn2)CC[N@H+]1C ZINC001395744745 924459887 /nfs/dbraw/zinc/45/98/87/924459887.db2.gz UCYNDATUXJKTHO-IJLUTSLNSA-N 1 1 324.385 -1.788 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395745054 924459998 /nfs/dbraw/zinc/45/99/98/924459998.db2.gz RCTJLVPNGZFSRA-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cncn1C ZINC001395753266 924462921 /nfs/dbraw/zinc/46/29/21/924462921.db2.gz BIGRJEFZWBMSIU-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001395758575 924465128 /nfs/dbraw/zinc/46/51/28/924465128.db2.gz ASUNXYQCVQRRMS-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1nnc[nH]1 ZINC001395762084 924466806 /nfs/dbraw/zinc/46/68/06/924466806.db2.gz PIUBFTZYCDOJJR-VHSXEESVSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1nnc[nH]1 ZINC001395762076 924466888 /nfs/dbraw/zinc/46/68/88/924466888.db2.gz PIUBFTZYCDOJJR-NXEZZACHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nnc[nH]1 ZINC001395762088 924466992 /nfs/dbraw/zinc/46/69/92/924466992.db2.gz PIUBFTZYCDOJJR-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO COCC1(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001395766547 924468052 /nfs/dbraw/zinc/46/80/52/924468052.db2.gz YLLXQWFFZAAZTK-VXGBXAGGSA-N 1 1 313.398 -1.042 20 0 DAADMO COCC1(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001395766542 924468086 /nfs/dbraw/zinc/46/80/86/924468086.db2.gz YLLXQWFFZAAZTK-RYUDHWBXSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2nnc[nH]2)C1 ZINC001395767009 924468726 /nfs/dbraw/zinc/46/87/26/924468726.db2.gz QWVYZWUKTXBUOX-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767009 924468731 /nfs/dbraw/zinc/46/87/31/924468731.db2.gz QWVYZWUKTXBUOX-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767009 924468738 /nfs/dbraw/zinc/46/87/38/924468738.db2.gz QWVYZWUKTXBUOX-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767009 924468744 /nfs/dbraw/zinc/46/87/44/924468744.db2.gz QWVYZWUKTXBUOX-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767009 924468751 /nfs/dbraw/zinc/46/87/51/924468751.db2.gz QWVYZWUKTXBUOX-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001395769400 924469548 /nfs/dbraw/zinc/46/95/48/924469548.db2.gz ASQXKDYLUZIXKH-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395771075 924469785 /nfs/dbraw/zinc/46/97/85/924469785.db2.gz JVEVHOQYBLYRHI-NXEZZACHSA-N 1 1 310.358 -1.586 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001395770632 924470022 /nfs/dbraw/zinc/47/00/22/924470022.db2.gz XNYXTXCXDSZOLT-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1COCCO1 ZINC001395773722 924470446 /nfs/dbraw/zinc/47/04/46/924470446.db2.gz BTFOXPCUYRYOSD-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1csnn1 ZINC001395774367 924472052 /nfs/dbraw/zinc/47/20/52/924472052.db2.gz MHUAFIPMKFTXOW-PSASIEDQSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395776218 924472403 /nfs/dbraw/zinc/47/24/03/924472403.db2.gz ADTGTZBPSTWSKV-BNDIWNMDSA-N 1 1 311.382 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001395780389 924473447 /nfs/dbraw/zinc/47/34/47/924473447.db2.gz VUZYOFLRVOOPIR-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001395781979 924475646 /nfs/dbraw/zinc/47/56/46/924475646.db2.gz OYNWXRCTDXSYPL-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001395781979 924475650 /nfs/dbraw/zinc/47/56/50/924475650.db2.gz OYNWXRCTDXSYPL-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC1 ZINC001395780443 924475822 /nfs/dbraw/zinc/47/58/22/924475822.db2.gz ISQWPVOZPRTJFG-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC1 ZINC001395780443 924475829 /nfs/dbraw/zinc/47/58/29/924475829.db2.gz ISQWPVOZPRTJFG-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ncccn1 ZINC001395793889 924478523 /nfs/dbraw/zinc/47/85/23/924478523.db2.gz OEVAHMCZBXWORF-QWRGUYRKSA-N 1 1 307.354 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001395797916 924480786 /nfs/dbraw/zinc/48/07/86/924480786.db2.gz QLOONSBCGQAVKR-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn(C)nn2)C1 ZINC001395807576 924482151 /nfs/dbraw/zinc/48/21/51/924482151.db2.gz OGWNIIJLUCDLIN-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cncn2C)C1 ZINC001395808219 924482544 /nfs/dbraw/zinc/48/25/44/924482544.db2.gz PBASLLDEXHUTRN-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001395811209 924483462 /nfs/dbraw/zinc/48/34/62/924483462.db2.gz XQYCGDIUYTUOQN-NEPJUHHUSA-N 1 1 324.381 -1.006 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2ccn(C)n2)C1 ZINC001395810998 924483486 /nfs/dbraw/zinc/48/34/86/924483486.db2.gz XFIYKSWILZPONF-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnn(C)n2)C1 ZINC001395809083 924483892 /nfs/dbraw/zinc/48/38/92/924483892.db2.gz RJJXRGLDJFNWKW-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001395809921 924484356 /nfs/dbraw/zinc/48/43/56/924484356.db2.gz UOHFJNWEOPLEJH-JQWIXIFHSA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nc[nH]n2)CC[N@H+]1C ZINC001395813594 924484375 /nfs/dbraw/zinc/48/43/75/924484375.db2.gz UVLUECZZBBKDCG-OUAUKWLOSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)CC[N@@H+]1C ZINC001395813594 924484380 /nfs/dbraw/zinc/48/43/80/924484380.db2.gz UVLUECZZBBKDCG-OUAUKWLOSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)CC[N@H+]1C ZINC001395813594 924484385 /nfs/dbraw/zinc/48/43/85/924484385.db2.gz UVLUECZZBBKDCG-OUAUKWLOSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2ccn(C)n2)C1 ZINC001395810999 924484398 /nfs/dbraw/zinc/48/43/98/924484398.db2.gz XFIYKSWILZPONF-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395959994 924490492 /nfs/dbraw/zinc/49/04/92/924490492.db2.gz AYJWBQOWJSYLMN-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396006771 924498781 /nfs/dbraw/zinc/49/87/81/924498781.db2.gz LSLXEJUUYCDEOS-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396006771 924498787 /nfs/dbraw/zinc/49/87/87/924498787.db2.gz LSLXEJUUYCDEOS-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396006771 924498792 /nfs/dbraw/zinc/49/87/92/924498792.db2.gz LSLXEJUUYCDEOS-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001396022387 924499657 /nfs/dbraw/zinc/49/96/57/924499657.db2.gz ZSBXQJFLTDUOOE-IJLUTSLNSA-N 1 1 301.387 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001396033969 924502319 /nfs/dbraw/zinc/50/23/19/924502319.db2.gz GAAFVZGTSLNYQK-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnn(C)n1 ZINC001396037294 924502367 /nfs/dbraw/zinc/50/23/67/924502367.db2.gz OFBUFYNXIREHSB-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnn(C)n1 ZINC001396037297 924502518 /nfs/dbraw/zinc/50/25/18/924502518.db2.gz OFBUFYNXIREHSB-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001396035408 924502662 /nfs/dbraw/zinc/50/26/62/924502662.db2.gz PZOWTWLYHSWQTK-NXEZZACHSA-N 1 1 312.374 -1.306 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001396035408 924502668 /nfs/dbraw/zinc/50/26/68/924502668.db2.gz PZOWTWLYHSWQTK-NXEZZACHSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnn(C)n1 ZINC001396037299 924503551 /nfs/dbraw/zinc/50/35/51/924503551.db2.gz OFBUFYNXIREHSB-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001396036100 924503574 /nfs/dbraw/zinc/50/35/74/924503574.db2.gz NKIAPSXNHRZJDU-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)c1nc[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001396095755 924508868 /nfs/dbraw/zinc/50/88/68/924508868.db2.gz KCYAPTQJBFSFJY-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)c1nc[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001396095750 924509941 /nfs/dbraw/zinc/50/99/41/924509941.db2.gz KCYAPTQJBFSFJY-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)C1 ZINC001396367187 924513036 /nfs/dbraw/zinc/51/30/36/924513036.db2.gz ACLWSVOIXRDZKZ-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@H]2O)C1 ZINC001396367187 924513047 /nfs/dbraw/zinc/51/30/47/924513047.db2.gz ACLWSVOIXRDZKZ-IJLUTSLNSA-N 1 1 317.361 -1.245 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001396378861 924515560 /nfs/dbraw/zinc/51/55/60/924515560.db2.gz KLFWYSNXWBLGMV-CHWSQXEVSA-N 1 1 323.397 -1.089 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001396376400 924515749 /nfs/dbraw/zinc/51/57/49/924515749.db2.gz LBVHIDFCUUKHML-QJPTWQEYSA-N 1 1 312.370 -2.238 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001396383270 924517957 /nfs/dbraw/zinc/51/79/57/924517957.db2.gz TUBQKRJOTBEZEJ-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O)C1CCC1 ZINC001396428640 924523895 /nfs/dbraw/zinc/52/38/95/924523895.db2.gz KPCRJCWRGBEADP-NEPJUHHUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001396431111 924525070 /nfs/dbraw/zinc/52/50/70/924525070.db2.gz WYZSQAFAKKPVJR-BBBLOLIVSA-N 1 1 313.358 -2.563 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001396472598 924528427 /nfs/dbraw/zinc/52/84/27/924528427.db2.gz BFIYSKZFQDLSKM-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001396466141 924529069 /nfs/dbraw/zinc/52/90/69/924529069.db2.gz XGDBPBQWICUQTJ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001396634181 924533883 /nfs/dbraw/zinc/53/38/83/924533883.db2.gz CBYBFLPQVYIFLU-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001396716455 924536855 /nfs/dbraw/zinc/53/68/55/924536855.db2.gz ZBLWTBVFNDOZOB-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001396763942 924541114 /nfs/dbraw/zinc/54/11/14/924541114.db2.gz OZKWMVVCSIEVOA-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001396965435 924551281 /nfs/dbraw/zinc/55/12/81/924551281.db2.gz AHZQYTSSEBNZFU-VXGBXAGGSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cn1ncn2nccc2c1=O ZINC001397038933 924554418 /nfs/dbraw/zinc/55/44/18/924554418.db2.gz OJHFWDKCQGXEIJ-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040880 924554684 /nfs/dbraw/zinc/55/46/84/924554684.db2.gz VKARDXGTMRMTST-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040880 924554693 /nfs/dbraw/zinc/55/46/93/924554693.db2.gz VKARDXGTMRMTST-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001397045929 924555070 /nfs/dbraw/zinc/55/50/70/924555070.db2.gz CZRYGHNBFOZJIX-AOOOYVTPSA-N 1 1 324.389 -1.486 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001397156230 924559725 /nfs/dbraw/zinc/55/97/25/924559725.db2.gz QIQHCBDFNKMCSS-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CCCO2)n1 ZINC001397175978 924561321 /nfs/dbraw/zinc/56/13/21/924561321.db2.gz SWYFRKQINVIRDZ-JTQLQIEISA-N 1 1 323.353 -1.058 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001397167794 924561908 /nfs/dbraw/zinc/56/19/08/924561908.db2.gz HUNPTDKTFIQCEE-RTHLEPHNSA-N 1 1 321.337 -1.590 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001397208396 924562788 /nfs/dbraw/zinc/56/27/88/924562788.db2.gz FIIHZYCWXWMISW-NSHDSACASA-N 1 1 308.400 -1.691 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1 ZINC001397207570 924563911 /nfs/dbraw/zinc/56/39/11/924563911.db2.gz MWQIPUKAWGPCDR-ZJUUUORDSA-N 1 1 320.353 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2C1 ZINC001397207570 924563916 /nfs/dbraw/zinc/56/39/16/924563916.db2.gz MWQIPUKAWGPCDR-ZJUUUORDSA-N 1 1 320.353 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2C1 ZINC001397207570 924563924 /nfs/dbraw/zinc/56/39/24/924563924.db2.gz MWQIPUKAWGPCDR-ZJUUUORDSA-N 1 1 320.353 -1.002 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC ZINC001397187396 924564124 /nfs/dbraw/zinc/56/41/24/924564124.db2.gz WMTSQPDTDKVEPD-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC ZINC001397187396 924564129 /nfs/dbraw/zinc/56/41/29/924564129.db2.gz WMTSQPDTDKVEPD-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO COCC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@@H](O)COC)C1 ZINC001397217031 924565527 /nfs/dbraw/zinc/56/55/27/924565527.db2.gz RLMBCROEFJMPBX-CHWSQXEVSA-N 1 1 304.387 -1.075 20 0 DAADMO Cc1c(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)nnn1C ZINC001397224543 924565628 /nfs/dbraw/zinc/56/56/28/924565628.db2.gz ZSSCNJCJYJYQPO-LLVKDONJSA-N 1 1 324.385 -1.492 20 0 DAADMO Cc1c(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)nnn1C ZINC001397224543 924565634 /nfs/dbraw/zinc/56/56/34/924565634.db2.gz ZSSCNJCJYJYQPO-LLVKDONJSA-N 1 1 324.385 -1.492 20 0 DAADMO COCC(=O)N1CCC[C@H]([N@H+](CCO)C[C@@H](O)COC)C1 ZINC001397217034 924565727 /nfs/dbraw/zinc/56/57/27/924565727.db2.gz RLMBCROEFJMPBX-QWHCGFSZSA-N 1 1 304.387 -1.075 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001397240077 924565783 /nfs/dbraw/zinc/56/57/83/924565783.db2.gz HKKGZEYHNAYJFB-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001397240077 924565790 /nfs/dbraw/zinc/56/57/90/924565790.db2.gz HKKGZEYHNAYJFB-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001397228900 924565868 /nfs/dbraw/zinc/56/58/68/924565868.db2.gz RLQNXNLUYVWHGX-GFCCVEGCSA-N 1 1 310.354 -1.012 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001397228900 924565874 /nfs/dbraw/zinc/56/58/74/924565874.db2.gz RLQNXNLUYVWHGX-GFCCVEGCSA-N 1 1 310.354 -1.012 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397389240 924574056 /nfs/dbraw/zinc/57/40/56/924574056.db2.gz CKWOFJUTVXIMPZ-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397389240 924574065 /nfs/dbraw/zinc/57/40/65/924574065.db2.gz CKWOFJUTVXIMPZ-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397405107 924574852 /nfs/dbraw/zinc/57/48/52/924574852.db2.gz XHTMXOOUWFXWCE-PSASIEDQSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397405107 924574857 /nfs/dbraw/zinc/57/48/57/924574857.db2.gz XHTMXOOUWFXWCE-PSASIEDQSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001397401316 924575161 /nfs/dbraw/zinc/57/51/61/924575161.db2.gz MSAAZDTURQYHGO-BNDIWNMDSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001397401316 924575166 /nfs/dbraw/zinc/57/51/66/924575166.db2.gz MSAAZDTURQYHGO-BNDIWNMDSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397423287 924577274 /nfs/dbraw/zinc/57/72/74/924577274.db2.gz IOKXATKKBUJTQW-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397423287 924577281 /nfs/dbraw/zinc/57/72/81/924577281.db2.gz IOKXATKKBUJTQW-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397440367 924579442 /nfs/dbraw/zinc/57/94/42/924579442.db2.gz UVICEQVAGGYODG-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001397460420 924580149 /nfs/dbraw/zinc/58/01/49/924580149.db2.gz KXBVLCYHRYVBTQ-HBNTYKKESA-N 1 1 313.402 -1.124 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001397505693 924584098 /nfs/dbraw/zinc/58/40/98/924584098.db2.gz QKGCAZWNHYWTBA-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001397501650 924584177 /nfs/dbraw/zinc/58/41/77/924584177.db2.gz DFBAWBWKZSQAKP-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397532357 924587206 /nfs/dbraw/zinc/58/72/06/924587206.db2.gz JJHIXTINTDUXSO-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397532362 924587768 /nfs/dbraw/zinc/58/77/68/924587768.db2.gz JJHIXTINTDUXSO-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](O)COC ZINC001397559186 924588566 /nfs/dbraw/zinc/58/85/66/924588566.db2.gz PSXJBYVAWCRYKQ-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](O)COC ZINC001397559186 924588570 /nfs/dbraw/zinc/58/85/70/924588570.db2.gz PSXJBYVAWCRYKQ-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCNC(=O)C1 ZINC001397553135 924589402 /nfs/dbraw/zinc/58/94/02/924589402.db2.gz SLFTUPKWCUYVKQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001397549109 924589727 /nfs/dbraw/zinc/58/97/27/924589727.db2.gz MYKWTDZEJOMVIL-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001397571624 924591309 /nfs/dbraw/zinc/59/13/09/924591309.db2.gz HDZAUCLEFYOBRP-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CS(C)(=O)=O)C2)nn1 ZINC001397622271 924592674 /nfs/dbraw/zinc/59/26/74/924592674.db2.gz GRSUSEZXLUIYKP-MGCOHNPYSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001397619001 924593682 /nfs/dbraw/zinc/59/36/82/924593682.db2.gz WODYUDPCVUUUJY-GARJFASQSA-N 1 1 321.385 -1.279 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001397629645 924593737 /nfs/dbraw/zinc/59/37/37/924593737.db2.gz RPZHDWZDAUAOMX-MGCOHNPYSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001397657023 924594544 /nfs/dbraw/zinc/59/45/44/924594544.db2.gz XWZZKPKZENRFJN-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@@H]2C1 ZINC001397761429 924598042 /nfs/dbraw/zinc/59/80/42/924598042.db2.gz AOAVQXKNTIYJEP-OLZOCXBDSA-N 1 1 310.398 -1.009 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001397804650 924599945 /nfs/dbraw/zinc/59/99/45/924599945.db2.gz QIPPEVISQGUDBN-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001397804650 924599954 /nfs/dbraw/zinc/59/99/54/924599954.db2.gz QIPPEVISQGUDBN-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO CCn1cc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)nn1 ZINC001397791649 924600316 /nfs/dbraw/zinc/60/03/16/924600316.db2.gz VWYJIJGBBBAKNW-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCn1cc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)nn1 ZINC001397791649 924600325 /nfs/dbraw/zinc/60/03/25/924600325.db2.gz VWYJIJGBBBAKNW-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001397790506 924600717 /nfs/dbraw/zinc/60/07/17/924600717.db2.gz ZYLVQYVLJSBOBR-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)[C@@H]1C ZINC001397806347 924601302 /nfs/dbraw/zinc/60/13/02/924601302.db2.gz UILAEPBCAMGVSO-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001397780531 924601326 /nfs/dbraw/zinc/60/13/26/924601326.db2.gz JAGFHSWAWBNCQF-FRRDWIJNSA-N 1 1 308.382 -1.209 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cnc[nH]1 ZINC001397891763 924608041 /nfs/dbraw/zinc/60/80/41/924608041.db2.gz VMXLHWBLZMRZRO-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnc[nH]1 ZINC001397891763 924608046 /nfs/dbraw/zinc/60/80/46/924608046.db2.gz VMXLHWBLZMRZRO-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397897274 924608590 /nfs/dbraw/zinc/60/85/90/924608590.db2.gz CFFFKLBWTCKGLV-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397917672 924611685 /nfs/dbraw/zinc/61/16/85/924611685.db2.gz AUMFNMXWQMBAQG-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1ncn(C)n1 ZINC001397967660 924616007 /nfs/dbraw/zinc/61/60/07/924616007.db2.gz GGZTUOMJOMADQZ-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1cnon1 ZINC001397970709 924616937 /nfs/dbraw/zinc/61/69/37/924616937.db2.gz OTHKKEFGHHBPFY-UHFFFAOYSA-N 1 1 311.342 -1.020 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001398002367 924620187 /nfs/dbraw/zinc/62/01/87/924620187.db2.gz JEEALQYCMZJTAW-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001398035686 924621015 /nfs/dbraw/zinc/62/10/15/924621015.db2.gz JCXXIKHEWWBJDK-MNOVXSKESA-N 1 1 307.354 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CS(C)(=O)=O ZINC001398035153 924621587 /nfs/dbraw/zinc/62/15/87/924621587.db2.gz WCFKWQRCDVGGJC-UHFFFAOYSA-N 1 1 307.416 -1.053 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001398094439 924624812 /nfs/dbraw/zinc/62/48/12/924624812.db2.gz KKCIZRZOQFVXCM-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001398065769 924625262 /nfs/dbraw/zinc/62/52/62/924625262.db2.gz GATHTHGKRQELSD-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001398245716 924629959 /nfs/dbraw/zinc/62/99/59/924629959.db2.gz YDKZFPPKNIUOPJ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001398245716 924629977 /nfs/dbraw/zinc/62/99/77/924629977.db2.gz YDKZFPPKNIUOPJ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001398275904 924634124 /nfs/dbraw/zinc/63/41/24/924634124.db2.gz IRAFKDSAGARIGF-GFCCVEGCSA-N 1 1 312.370 -1.828 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001398275904 924634126 /nfs/dbraw/zinc/63/41/26/924634126.db2.gz IRAFKDSAGARIGF-GFCCVEGCSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001398287729 924634244 /nfs/dbraw/zinc/63/42/44/924634244.db2.gz JKMYXIKQTQWETA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001398287729 924634245 /nfs/dbraw/zinc/63/42/45/924634245.db2.gz JKMYXIKQTQWETA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001398283434 924634269 /nfs/dbraw/zinc/63/42/69/924634269.db2.gz DCCRLXJFCJISGY-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001398283434 924634275 /nfs/dbraw/zinc/63/42/75/924634275.db2.gz DCCRLXJFCJISGY-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCN1CCN(CC(N)=O)CC1 ZINC001398274612 924634835 /nfs/dbraw/zinc/63/48/35/924634835.db2.gz HRLULZXAFGPIKI-ZDUSSCGKSA-N 1 1 311.430 -1.310 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001398294965 924635527 /nfs/dbraw/zinc/63/55/27/924635527.db2.gz VHWSENXODZIHQD-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001398294965 924635535 /nfs/dbraw/zinc/63/55/35/924635535.db2.gz VHWSENXODZIHQD-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398300413 924636249 /nfs/dbraw/zinc/63/62/49/924636249.db2.gz KDAZHEDQIPCBDK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398300413 924636258 /nfs/dbraw/zinc/63/62/58/924636258.db2.gz KDAZHEDQIPCBDK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001398315724 924636437 /nfs/dbraw/zinc/63/64/37/924636437.db2.gz MTYWWGNDQKUNFR-LLVKDONJSA-N 1 1 322.431 -1.344 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001398319888 924636589 /nfs/dbraw/zinc/63/65/89/924636589.db2.gz BBZXIHUBPQJXSO-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001398319888 924636593 /nfs/dbraw/zinc/63/65/93/924636593.db2.gz BBZXIHUBPQJXSO-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001398296669 924636850 /nfs/dbraw/zinc/63/68/50/924636850.db2.gz ARODSBQYFDRBLC-JQWIXIFHSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001398296669 924636855 /nfs/dbraw/zinc/63/68/55/924636855.db2.gz ARODSBQYFDRBLC-JQWIXIFHSA-N 1 1 319.365 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001398316021 924636975 /nfs/dbraw/zinc/63/69/75/924636975.db2.gz NIHBKOJJFPXGEF-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001398316021 924636981 /nfs/dbraw/zinc/63/69/81/924636981.db2.gz NIHBKOJJFPXGEF-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001398326190 924638036 /nfs/dbraw/zinc/63/80/36/924638036.db2.gz HHDGWOYRONJIMI-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001398326190 924638044 /nfs/dbraw/zinc/63/80/44/924638044.db2.gz HHDGWOYRONJIMI-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO C[C@@]1(CC(=O)N[C@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001398346872 924638198 /nfs/dbraw/zinc/63/81/98/924638198.db2.gz QNCRQFADPQFJRP-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001398441775 924642786 /nfs/dbraw/zinc/64/27/86/924642786.db2.gz DQVZFKDRMJBUCK-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001398436933 924642935 /nfs/dbraw/zinc/64/29/35/924642935.db2.gz OMMPESGWJOOXAA-WDEREUQCSA-N 1 1 321.385 -1.036 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001398464255 924643194 /nfs/dbraw/zinc/64/31/94/924643194.db2.gz XKUFIOLXUAECMU-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001398440555 924643219 /nfs/dbraw/zinc/64/32/19/924643219.db2.gz UUNVGJMUXLBUOY-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001398479172 924644696 /nfs/dbraw/zinc/64/46/96/924644696.db2.gz LMXMKPWCZQDLDA-WRWGMCAJSA-N 1 1 312.370 -1.650 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001398531332 924646118 /nfs/dbraw/zinc/64/61/18/924646118.db2.gz CWIJHBQJCOQAJE-OPRDCNLKSA-N 1 1 315.399 -1.015 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001398537042 924646414 /nfs/dbraw/zinc/64/64/14/924646414.db2.gz VWAMSOJVXAVYJO-OPRDCNLKSA-N 1 1 309.374 -1.001 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001398556611 924649728 /nfs/dbraw/zinc/64/97/28/924649728.db2.gz QTWGTRYRDVMWJC-ZKCHVHJHSA-N 1 1 324.341 -1.568 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001398569708 924651637 /nfs/dbraw/zinc/65/16/37/924651637.db2.gz IEZAFSMXDCGUPT-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)COC)C2)n1 ZINC001398578204 924652693 /nfs/dbraw/zinc/65/26/93/924652693.db2.gz CQXJRXOCZUUIKF-DTORHVGOSA-N 1 1 311.342 -1.259 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CCS(C)(=O)=O)C2)C1 ZINC001398605584 924655243 /nfs/dbraw/zinc/65/52/43/924655243.db2.gz PPLWGYICBFTVBA-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)n1 ZINC001398619963 924657685 /nfs/dbraw/zinc/65/76/85/924657685.db2.gz SLCLMWUPUUNMAP-DTORHVGOSA-N 1 1 301.372 -1.404 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001398627843 924658186 /nfs/dbraw/zinc/65/81/86/924658186.db2.gz QTWGTRYRDVMWJC-OCAPTIKFSA-N 1 1 324.341 -1.568 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCS(C)(=O)=O)C2)C1 ZINC001398649979 924659964 /nfs/dbraw/zinc/65/99/64/924659964.db2.gz YQESHAFRKLIDNW-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCN2CCCC2=O)C1 ZINC001398660320 924660951 /nfs/dbraw/zinc/66/09/51/924660951.db2.gz ATXPOMGQGXRXET-PHIMTYICSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001398689968 924663352 /nfs/dbraw/zinc/66/33/52/924663352.db2.gz PJUQNMMRLKSNOF-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001398684152 924663951 /nfs/dbraw/zinc/66/39/51/924663951.db2.gz XKFOCZDDOACONO-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001398684152 924663956 /nfs/dbraw/zinc/66/39/56/924663956.db2.gz XKFOCZDDOACONO-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001398715663 924667181 /nfs/dbraw/zinc/66/71/81/924667181.db2.gz YNOGNEHYVUHFMY-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001398721253 924667336 /nfs/dbraw/zinc/66/73/36/924667336.db2.gz CKTBQAOSSTWVJI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001398721253 924667340 /nfs/dbraw/zinc/66/73/40/924667340.db2.gz CKTBQAOSSTWVJI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001398733950 924668615 /nfs/dbraw/zinc/66/86/15/924668615.db2.gz AJCLEYAGESYHFL-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001398733950 924668625 /nfs/dbraw/zinc/66/86/25/924668625.db2.gz AJCLEYAGESYHFL-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398753788 924669377 /nfs/dbraw/zinc/66/93/77/924669377.db2.gz IJJAYRUKXWEBJE-NSHDSACASA-N 1 1 323.397 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CNC(=O)NC)C1 ZINC001398775688 924671418 /nfs/dbraw/zinc/67/14/18/924671418.db2.gz WMBQKSKNOAYLJS-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001398777062 924671865 /nfs/dbraw/zinc/67/18/65/924671865.db2.gz LJMUBXWKUUEACN-NSHDSACASA-N 1 1 307.358 -1.801 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001398777059 924672417 /nfs/dbraw/zinc/67/24/17/924672417.db2.gz LJMUBXWKUUEACN-LLVKDONJSA-N 1 1 307.358 -1.801 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001398816146 924672985 /nfs/dbraw/zinc/67/29/85/924672985.db2.gz VKYVOIVLUPKAFW-GYNNRVIJSA-N 1 1 322.365 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001398816146 924672991 /nfs/dbraw/zinc/67/29/91/924672991.db2.gz VKYVOIVLUPKAFW-GYNNRVIJSA-N 1 1 322.365 -1.346 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001398813669 924673055 /nfs/dbraw/zinc/67/30/55/924673055.db2.gz NAGNVEXULUERFW-HHHUOAJASA-N 1 1 312.370 -1.936 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+][C@H](C)c1nnnn1C ZINC001398903431 924676956 /nfs/dbraw/zinc/67/69/56/924676956.db2.gz ZUQPXERLWCZING-RKDXNWHRSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)[NH2+][C@H](C)c1nnnn1C ZINC001398901066 924677025 /nfs/dbraw/zinc/67/70/25/924677025.db2.gz DKJRRAMTCFGMHN-HTQZYQBOSA-N 1 1 307.362 -1.005 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN2CCOCC2=O)[nH]1 ZINC001398939440 924679009 /nfs/dbraw/zinc/67/90/09/924679009.db2.gz FPAZOAAIXSSROV-SECBINFHSA-N 1 1 310.358 -1.434 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2nnnn2C)C1 ZINC001398938505 924679025 /nfs/dbraw/zinc/67/90/25/924679025.db2.gz OCYDLWQTOHCBQA-DTWKUNHWSA-N 1 1 309.374 -1.156 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN2CCOCC2=O)[nH]1 ZINC001398939453 924679341 /nfs/dbraw/zinc/67/93/41/924679341.db2.gz FPAZOAAIXSSROV-VIFPVBQESA-N 1 1 310.358 -1.434 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001398955019 924680431 /nfs/dbraw/zinc/68/04/31/924680431.db2.gz MIEUNVGQASCVSC-JTQLQIEISA-N 1 1 317.415 -1.046 20 0 DAADMO Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001398951784 924680885 /nfs/dbraw/zinc/68/08/85/924680885.db2.gz FFBCLSLJLLCSLF-BDAKNGLRSA-N 1 1 322.373 -1.136 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001398943408 924680925 /nfs/dbraw/zinc/68/09/25/924680925.db2.gz CTZABPMDAXNSHH-ZJUUUORDSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001398949505 924681287 /nfs/dbraw/zinc/68/12/87/924681287.db2.gz IEMXUYUPSFHFGB-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001398943403 924681407 /nfs/dbraw/zinc/68/14/07/924681407.db2.gz CTZABPMDAXNSHH-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001398960686 924682414 /nfs/dbraw/zinc/68/24/14/924682414.db2.gz XHQDMXBSOANUQJ-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001398960686 924682422 /nfs/dbraw/zinc/68/24/22/924682422.db2.gz XHQDMXBSOANUQJ-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001398960677 924682671 /nfs/dbraw/zinc/68/26/71/924682671.db2.gz XHQDMXBSOANUQJ-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001398960677 924682676 /nfs/dbraw/zinc/68/26/76/924682676.db2.gz XHQDMXBSOANUQJ-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nccn1C ZINC001398966716 924682704 /nfs/dbraw/zinc/68/27/04/924682704.db2.gz QDGMNJMSISZLSN-SNVBAGLBSA-N 1 1 307.358 -1.390 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nccn1C ZINC001398989070 924684553 /nfs/dbraw/zinc/68/45/53/924684553.db2.gz GEMPOTAHWCGHDM-JTQLQIEISA-N 1 1 320.353 -1.023 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001398988338 924684947 /nfs/dbraw/zinc/68/49/47/924684947.db2.gz TXSITMBNHCBNNA-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001399124703 924689094 /nfs/dbraw/zinc/68/90/94/924689094.db2.gz YYOONYIGZMKLLF-QMMMGPOBSA-N 1 1 306.330 -1.788 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001399093940 924689530 /nfs/dbraw/zinc/68/95/30/924689530.db2.gz CUMAMFBLENLQGI-HTQZYQBOSA-N 1 1 318.403 -1.182 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cn(C)nn1 ZINC001399109877 924690200 /nfs/dbraw/zinc/69/02/00/924690200.db2.gz UVUMLWQQOVFNEF-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001399186614 924691557 /nfs/dbraw/zinc/69/15/57/924691557.db2.gz KWPCQRJNTREHEX-VIFPVBQESA-N 1 1 317.371 -1.171 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001399222586 924693720 /nfs/dbraw/zinc/69/37/20/924693720.db2.gz KIXNQLWGHAVRBP-LLVKDONJSA-N 1 1 309.374 -1.374 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001399298081 924694612 /nfs/dbraw/zinc/69/46/12/924694612.db2.gz ZFIBFDWTKIPKGG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001399255177 924695018 /nfs/dbraw/zinc/69/50/18/924695018.db2.gz FGFIBYAWIMGQCH-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399258029 924695426 /nfs/dbraw/zinc/69/54/26/924695426.db2.gz KWQCSYVESUYEOG-NXEZZACHSA-N 1 1 324.389 -1.344 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001399290134 924695546 /nfs/dbraw/zinc/69/55/46/924695546.db2.gz MKBBXKPNLAPPDY-VIFPVBQESA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001399290134 924695552 /nfs/dbraw/zinc/69/55/52/924695552.db2.gz MKBBXKPNLAPPDY-VIFPVBQESA-N 1 1 323.357 -1.156 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399353190 924697805 /nfs/dbraw/zinc/69/78/05/924697805.db2.gz TYQKAEWDJCUCBT-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399360596 924698497 /nfs/dbraw/zinc/69/84/97/924698497.db2.gz STZJKJZIMITSQE-ONGXEEELSA-N 1 1 324.385 -1.074 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399360596 924698506 /nfs/dbraw/zinc/69/85/06/924698506.db2.gz STZJKJZIMITSQE-ONGXEEELSA-N 1 1 324.385 -1.074 20 0 DAADMO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001399401702 924701980 /nfs/dbraw/zinc/70/19/80/924701980.db2.gz MMMGFNKOYRIPPE-SECBINFHSA-N 1 1 318.403 -1.206 20 0 DAADMO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001399401702 924701988 /nfs/dbraw/zinc/70/19/88/924701988.db2.gz MMMGFNKOYRIPPE-SECBINFHSA-N 1 1 318.403 -1.206 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001399439229 924702667 /nfs/dbraw/zinc/70/26/67/924702667.db2.gz QBZSOKKODFTCSI-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001399439229 924702677 /nfs/dbraw/zinc/70/26/77/924702677.db2.gz QBZSOKKODFTCSI-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001399439223 924703531 /nfs/dbraw/zinc/70/35/31/924703531.db2.gz QBZSOKKODFTCSI-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001399439223 924703540 /nfs/dbraw/zinc/70/35/40/924703540.db2.gz QBZSOKKODFTCSI-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO COC(=O)NCC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001399430471 924703721 /nfs/dbraw/zinc/70/37/21/924703721.db2.gz BEVXIGPCLDTCLA-UHFFFAOYSA-N 1 1 310.376 -2.060 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001399430471 924703726 /nfs/dbraw/zinc/70/37/26/924703726.db2.gz BEVXIGPCLDTCLA-UHFFFAOYSA-N 1 1 310.376 -2.060 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001399438449 924703912 /nfs/dbraw/zinc/70/39/12/924703912.db2.gz NVDFGRPGOZQNRB-WDEREUQCSA-N 1 1 312.370 -1.131 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)on1 ZINC001399450508 924704340 /nfs/dbraw/zinc/70/43/40/924704340.db2.gz UTFWLGLUWIJFTJ-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)on1 ZINC001399450508 924704344 /nfs/dbraw/zinc/70/43/44/924704344.db2.gz UTFWLGLUWIJFTJ-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CCNC1=O ZINC001399507321 924705101 /nfs/dbraw/zinc/70/51/01/924705101.db2.gz OZCHBSYPIPGEAJ-UWVGGRQHSA-N 1 1 322.369 -1.517 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CCNC1=O ZINC001399507321 924705112 /nfs/dbraw/zinc/70/51/12/924705112.db2.gz OZCHBSYPIPGEAJ-UWVGGRQHSA-N 1 1 322.369 -1.517 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001399490126 924705163 /nfs/dbraw/zinc/70/51/63/924705163.db2.gz ZGMXTQMUFYSBTK-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001399490126 924705170 /nfs/dbraw/zinc/70/51/70/924705170.db2.gz ZGMXTQMUFYSBTK-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001399492556 924705492 /nfs/dbraw/zinc/70/54/92/924705492.db2.gz VSBQFVCQJSCLFJ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001399492556 924705506 /nfs/dbraw/zinc/70/55/06/924705506.db2.gz VSBQFVCQJSCLFJ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001399487151 924705821 /nfs/dbraw/zinc/70/58/21/924705821.db2.gz KEBJSPQWCJWPKY-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001399487151 924705824 /nfs/dbraw/zinc/70/58/24/924705824.db2.gz KEBJSPQWCJWPKY-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)CCN1CCCC1=O ZINC001399488084 924706064 /nfs/dbraw/zinc/70/60/64/924706064.db2.gz NZEUGCATBROCQI-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1cn(C)nc1C ZINC001399500756 924706215 /nfs/dbraw/zinc/70/62/15/924706215.db2.gz GYOSUURDZINNGF-UHFFFAOYSA-N 1 1 324.385 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1cn(C)nc1C ZINC001399500756 924706224 /nfs/dbraw/zinc/70/62/24/924706224.db2.gz GYOSUURDZINNGF-UHFFFAOYSA-N 1 1 324.385 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001399539961 924707855 /nfs/dbraw/zinc/70/78/55/924707855.db2.gz ORTOXMKLAADQMI-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001399539961 924707860 /nfs/dbraw/zinc/70/78/60/924707860.db2.gz ORTOXMKLAADQMI-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO Cc1cnn(C)c1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001399552360 924708593 /nfs/dbraw/zinc/70/85/93/924708593.db2.gz ARQBKWKSBMSARV-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1cnn(C)c1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001399552360 924708598 /nfs/dbraw/zinc/70/85/98/924708598.db2.gz ARQBKWKSBMSARV-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399558658 924708833 /nfs/dbraw/zinc/70/88/33/924708833.db2.gz JWRZOUXNKUZNDN-GDNZZTSVSA-N 1 1 319.427 -1.134 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399558658 924708835 /nfs/dbraw/zinc/70/88/35/924708835.db2.gz JWRZOUXNKUZNDN-GDNZZTSVSA-N 1 1 319.427 -1.134 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001399581654 924710245 /nfs/dbraw/zinc/71/02/45/924710245.db2.gz PFZMYNFLZFQGRE-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001399581654 924710251 /nfs/dbraw/zinc/71/02/51/924710251.db2.gz PFZMYNFLZFQGRE-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO COc1ccc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001399613236 924710440 /nfs/dbraw/zinc/71/04/40/924710440.db2.gz MZKAPWFBPONPPR-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001399613236 924710454 /nfs/dbraw/zinc/71/04/54/924710454.db2.gz MZKAPWFBPONPPR-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cnon1)S(C)(=O)=O ZINC001399599999 924710711 /nfs/dbraw/zinc/71/07/11/924710711.db2.gz WFFYSQPJUISJJZ-UHFFFAOYSA-N 1 1 305.360 -1.377 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cnon1)S(C)(=O)=O ZINC001399599999 924710713 /nfs/dbraw/zinc/71/07/13/924710713.db2.gz WFFYSQPJUISJJZ-UHFFFAOYSA-N 1 1 305.360 -1.377 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001399591280 924710830 /nfs/dbraw/zinc/71/08/30/924710830.db2.gz NKCXNTPGMZTAQM-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001399591280 924710837 /nfs/dbraw/zinc/71/08/37/924710837.db2.gz NKCXNTPGMZTAQM-VIFPVBQESA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1ncccn1 ZINC001399592015 924711159 /nfs/dbraw/zinc/71/11/59/924711159.db2.gz IFJYZWXGCIPARO-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1ncccn1 ZINC001399592015 924711162 /nfs/dbraw/zinc/71/11/62/924711162.db2.gz IFJYZWXGCIPARO-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)CC(=O)N1CCC1 ZINC001399605407 924711200 /nfs/dbraw/zinc/71/12/00/924711200.db2.gz YGUARVQYPATQCX-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001399599088 924711819 /nfs/dbraw/zinc/71/18/19/924711819.db2.gz USBRXGIQYQVRFY-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001399599088 924711827 /nfs/dbraw/zinc/71/18/27/924711827.db2.gz USBRXGIQYQVRFY-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001399589825 924712207 /nfs/dbraw/zinc/71/22/07/924712207.db2.gz PDACMGSPZYNXAI-VIFPVBQESA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001399589825 924712221 /nfs/dbraw/zinc/71/22/21/924712221.db2.gz PDACMGSPZYNXAI-VIFPVBQESA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1cncn1C ZINC001399643056 924713592 /nfs/dbraw/zinc/71/35/92/924713592.db2.gz DUUXJLYQERSDNU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1cncn1C ZINC001399643056 924713598 /nfs/dbraw/zinc/71/35/98/924713598.db2.gz DUUXJLYQERSDNU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001399639730 924713742 /nfs/dbraw/zinc/71/37/42/924713742.db2.gz XMMQSRCUFNGQTE-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001399639730 924713749 /nfs/dbraw/zinc/71/37/49/924713749.db2.gz XMMQSRCUFNGQTE-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001399660120 924715338 /nfs/dbraw/zinc/71/53/38/924715338.db2.gz UUXOKVNXSKDIGP-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001399660120 924715342 /nfs/dbraw/zinc/71/53/42/924715342.db2.gz UUXOKVNXSKDIGP-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001399694432 924717723 /nfs/dbraw/zinc/71/77/23/924717723.db2.gz GKUIODMIOSUBGK-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001399694432 924717731 /nfs/dbraw/zinc/71/77/31/924717731.db2.gz GKUIODMIOSUBGK-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CCNC(=O)c1nc2ncc(C)cn2n1)CC(N)=O ZINC001399702619 924718218 /nfs/dbraw/zinc/71/82/18/924718218.db2.gz DOFVFHAWDOJJGS-UHFFFAOYSA-N 1 1 305.342 -1.030 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nc2ncc(C)cn2n1)CC(N)=O ZINC001399702619 924718225 /nfs/dbraw/zinc/71/82/25/924718225.db2.gz DOFVFHAWDOJJGS-UHFFFAOYSA-N 1 1 305.342 -1.030 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H]1CCNC1=O ZINC001399725883 924719993 /nfs/dbraw/zinc/71/99/93/924719993.db2.gz NNUCREFOPBDITH-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399718037 924720307 /nfs/dbraw/zinc/72/03/07/924720307.db2.gz ZTFBTSXXMBTHMK-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001399721594 924720512 /nfs/dbraw/zinc/72/05/12/924720512.db2.gz FAAYTUGPCGMDMC-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001399757635 924722676 /nfs/dbraw/zinc/72/26/76/924722676.db2.gz UZDQLVLMGZLDBX-NXEZZACHSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399755118 924723034 /nfs/dbraw/zinc/72/30/34/924723034.db2.gz FGAGLFBAAIKUIT-GHMZBOCLSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399755118 924723041 /nfs/dbraw/zinc/72/30/41/924723041.db2.gz FGAGLFBAAIKUIT-GHMZBOCLSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399755641 924723250 /nfs/dbraw/zinc/72/32/50/924723250.db2.gz FGAGLFBAAIKUIT-QWRGUYRKSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399755641 924723261 /nfs/dbraw/zinc/72/32/61/924723261.db2.gz FGAGLFBAAIKUIT-QWRGUYRKSA-N 1 1 316.358 -2.954 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnn2C)CC[N@H+]1C ZINC001399780059 924725918 /nfs/dbraw/zinc/72/59/18/924725918.db2.gz ALWPTDQEEBVEGD-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779569 924726003 /nfs/dbraw/zinc/72/60/03/924726003.db2.gz DBQKYVVKOSSESO-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779569 924726010 /nfs/dbraw/zinc/72/60/10/924726010.db2.gz DBQKYVVKOSSESO-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccnn2C)CC[N@H+]1C ZINC001399780051 924726460 /nfs/dbraw/zinc/72/64/60/924726460.db2.gz ALWPTDQEEBVEGD-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1c[nH]cn1)[C@H](C)C(=O)NC(N)=O ZINC001399782731 924727657 /nfs/dbraw/zinc/72/76/57/924727657.db2.gz VNQUBNPSXFBGCZ-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1c[nH]cn1)[C@H](C)C(=O)NC(N)=O ZINC001399782731 924727662 /nfs/dbraw/zinc/72/76/62/924727662.db2.gz VNQUBNPSXFBGCZ-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399785371 924728061 /nfs/dbraw/zinc/72/80/61/924728061.db2.gz IFNNPOFDKQYKRV-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001399807133 924734997 /nfs/dbraw/zinc/73/49/97/924734997.db2.gz UMGWDKLDAMFAGI-JQWIXIFHSA-N 1 1 309.370 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001399807342 924735904 /nfs/dbraw/zinc/73/59/04/924735904.db2.gz SKHQIHQTWHTJDA-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001399809649 924736423 /nfs/dbraw/zinc/73/64/23/924736423.db2.gz ZUSRUYJHTSOVAI-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001399818794 924737683 /nfs/dbraw/zinc/73/76/83/924737683.db2.gz JHLQTGXKNLFUQP-DGCLKSJQSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001399818789 924737762 /nfs/dbraw/zinc/73/77/62/924737762.db2.gz JHLQTGXKNLFUQP-AAEUAGOBSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001399814537 924738024 /nfs/dbraw/zinc/73/80/24/924738024.db2.gz VCNOCCURVXYFIJ-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001399821780 924738068 /nfs/dbraw/zinc/73/80/68/924738068.db2.gz FJGJEEFQONTFOI-JQWIXIFHSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC001399817839 924738423 /nfs/dbraw/zinc/73/84/23/924738423.db2.gz BFLOKPDJGNKYEY-GRYCIOLGSA-N 1 1 323.397 -1.114 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001399825550 924739459 /nfs/dbraw/zinc/73/94/59/924739459.db2.gz IZXWUOWESFEWCP-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001399825544 924739538 /nfs/dbraw/zinc/73/95/38/924739538.db2.gz IZXWUOWESFEWCP-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399823859 924740592 /nfs/dbraw/zinc/74/05/92/924740592.db2.gz ABNORMJFSSZVCO-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCNC(N)=O)C1 ZINC001399838477 924741670 /nfs/dbraw/zinc/74/16/70/924741670.db2.gz VIZHLINXWSIMFZ-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCNC(N)=O)C1 ZINC001399838466 924742084 /nfs/dbraw/zinc/74/20/84/924742084.db2.gz VIZHLINXWSIMFZ-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001399844035 924743073 /nfs/dbraw/zinc/74/30/73/924743073.db2.gz CAFOOWKWODAFJA-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001399844046 924743852 /nfs/dbraw/zinc/74/38/52/924743852.db2.gz CAFOOWKWODAFJA-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001399849195 924744850 /nfs/dbraw/zinc/74/48/50/924744850.db2.gz KEMWWHQHSDNJHV-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCCF)C1 ZINC001399846589 924744917 /nfs/dbraw/zinc/74/49/17/924744917.db2.gz VAGWWPFSWLJZTO-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCCF)C1 ZINC001399846589 924744924 /nfs/dbraw/zinc/74/49/24/924744924.db2.gz VAGWWPFSWLJZTO-QWRGUYRKSA-N 1 1 305.350 -1.340 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001399848129 924745162 /nfs/dbraw/zinc/74/51/62/924745162.db2.gz AJUXNPNYHFZYGS-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001399848129 924745169 /nfs/dbraw/zinc/74/51/69/924745169.db2.gz AJUXNPNYHFZYGS-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn(C)nn2)C1 ZINC001399850738 924745510 /nfs/dbraw/zinc/74/55/10/924745510.db2.gz BVYKZFOEADNBOK-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001399846561 924745684 /nfs/dbraw/zinc/74/56/84/924745684.db2.gz UVYZUCUGTVIJIB-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853116 924746271 /nfs/dbraw/zinc/74/62/71/924746271.db2.gz FPQIGHPDVQSTBY-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853116 924746280 /nfs/dbraw/zinc/74/62/80/924746280.db2.gz FPQIGHPDVQSTBY-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001399852626 924746625 /nfs/dbraw/zinc/74/66/25/924746625.db2.gz CDEYAVBACXRBPJ-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001399852626 924746632 /nfs/dbraw/zinc/74/66/32/924746632.db2.gz CDEYAVBACXRBPJ-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399861678 924748993 /nfs/dbraw/zinc/74/89/93/924748993.db2.gz CKHKMZJBJZKYSH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399861678 924749000 /nfs/dbraw/zinc/74/90/00/924749000.db2.gz CKHKMZJBJZKYSH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCCO)C(N)=O ZINC001399859080 924749130 /nfs/dbraw/zinc/74/91/30/924749130.db2.gz CATNQTABZYMFQP-NEPJUHHUSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001399863584 924749146 /nfs/dbraw/zinc/74/91/46/924749146.db2.gz DBSLQBYNSKNNJK-SNVBAGLBSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ncc[nH]1 ZINC001399863584 924749155 /nfs/dbraw/zinc/74/91/55/924749155.db2.gz DBSLQBYNSKNNJK-SNVBAGLBSA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001399872109 924750554 /nfs/dbraw/zinc/75/05/54/924750554.db2.gz RTHKRXRSMBREMZ-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870106 924750791 /nfs/dbraw/zinc/75/07/91/924750791.db2.gz IGEIENRETOUCDX-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870106 924750794 /nfs/dbraw/zinc/75/07/94/924750794.db2.gz IGEIENRETOUCDX-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892880 924753365 /nfs/dbraw/zinc/75/33/65/924753365.db2.gz ILHXGWVAAMAVGE-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892880 924753375 /nfs/dbraw/zinc/75/33/75/924753375.db2.gz ILHXGWVAAMAVGE-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001399893566 924754657 /nfs/dbraw/zinc/75/46/57/924754657.db2.gz JKJDRWOUMMNKTP-ZYHUDNBSSA-N 1 1 314.386 -1.103 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399906293 924755535 /nfs/dbraw/zinc/75/55/35/924755535.db2.gz ZFFBDSPMPXQQOC-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399901753 924756383 /nfs/dbraw/zinc/75/63/83/924756383.db2.gz SCRXSWWJBNAWKA-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399901751 924756492 /nfs/dbraw/zinc/75/64/92/924756492.db2.gz SCRXSWWJBNAWKA-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399901750 924756564 /nfs/dbraw/zinc/75/65/64/924756564.db2.gz SCRXSWWJBNAWKA-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001399900040 924756801 /nfs/dbraw/zinc/75/68/01/924756801.db2.gz QEPLYDPMIQKCMT-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001399900040 924756806 /nfs/dbraw/zinc/75/68/06/924756806.db2.gz QEPLYDPMIQKCMT-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCOC)C1 ZINC001399922994 924757194 /nfs/dbraw/zinc/75/71/94/924757194.db2.gz PMANLOSEFIFNBO-JTQLQIEISA-N 1 1 308.404 -1.875 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399925525 924757885 /nfs/dbraw/zinc/75/78/85/924757885.db2.gz IULAOSCZRJQDBY-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399925525 924757890 /nfs/dbraw/zinc/75/78/90/924757890.db2.gz IULAOSCZRJQDBY-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001399925955 924758087 /nfs/dbraw/zinc/75/80/87/924758087.db2.gz SZHZRGYDBVNQDV-LBPRGKRZSA-N 1 1 319.365 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399918925 924758263 /nfs/dbraw/zinc/75/82/63/924758263.db2.gz MAKQTMQMTUIFPL-MEWQQHAOSA-N 1 1 324.381 -1.228 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399928077 924758375 /nfs/dbraw/zinc/75/83/75/924758375.db2.gz ISJGYTRMDBQBCL-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399928077 924758383 /nfs/dbraw/zinc/75/83/83/924758383.db2.gz ISJGYTRMDBQBCL-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399923693 924758443 /nfs/dbraw/zinc/75/84/43/924758443.db2.gz FKDCPWPSCCDXMV-SECBINFHSA-N 1 1 321.403 -2.694 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399929500 924759191 /nfs/dbraw/zinc/75/91/91/924759191.db2.gz WYNBDFGSPMIBCR-GMTAPVOTSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399929500 924759198 /nfs/dbraw/zinc/75/91/98/924759198.db2.gz WYNBDFGSPMIBCR-GMTAPVOTSA-N 1 1 312.370 -1.784 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(N)=O ZINC001399942446 924759529 /nfs/dbraw/zinc/75/95/29/924759529.db2.gz MBNLXMYZLOSKNY-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(N)=O ZINC001399942446 924759537 /nfs/dbraw/zinc/75/95/37/924759537.db2.gz MBNLXMYZLOSKNY-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399929513 924759645 /nfs/dbraw/zinc/75/96/45/924759645.db2.gz WYNBDFGSPMIBCR-VWYCJHECSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399929513 924759651 /nfs/dbraw/zinc/75/96/51/924759651.db2.gz WYNBDFGSPMIBCR-VWYCJHECSA-N 1 1 312.370 -1.784 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001399929601 924759774 /nfs/dbraw/zinc/75/97/74/924759774.db2.gz KXARXYMNZTTYLW-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001399946706 924759898 /nfs/dbraw/zinc/75/98/98/924759898.db2.gz QISGFSLDXAIAGC-GHMZBOCLSA-N 1 1 302.375 -1.510 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001399929175 924760045 /nfs/dbraw/zinc/76/00/45/924760045.db2.gz ZNVDTCBEMRQJKJ-TVQRCGJNSA-N 1 1 316.333 -1.252 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001399937192 924760198 /nfs/dbraw/zinc/76/01/98/924760198.db2.gz DUTFYASZWBNTGS-SNVBAGLBSA-N 1 1 317.353 -1.410 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001399954723 924761879 /nfs/dbraw/zinc/76/18/79/924761879.db2.gz HPZNXCBXNBTALM-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001399954723 924761885 /nfs/dbraw/zinc/76/18/85/924761885.db2.gz HPZNXCBXNBTALM-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO Cn1nnc(CN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001399988774 924762644 /nfs/dbraw/zinc/76/26/44/924762644.db2.gz IZQUHAPKSQHZAA-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001399988774 924762651 /nfs/dbraw/zinc/76/26/51/924762651.db2.gz IZQUHAPKSQHZAA-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1ccc(CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001400004916 924762714 /nfs/dbraw/zinc/76/27/14/924762714.db2.gz KNSLKXIFVYXCTL-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1ccc(CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001400004916 924762719 /nfs/dbraw/zinc/76/27/19/924762719.db2.gz KNSLKXIFVYXCTL-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1nnc(CN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001399988778 924762988 /nfs/dbraw/zinc/76/29/88/924762988.db2.gz IZQUHAPKSQHZAA-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001399988778 924763000 /nfs/dbraw/zinc/76/30/00/924763000.db2.gz IZQUHAPKSQHZAA-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO CCN1CC[C@H]([N@H+](CCNC(=O)Cn2ncnn2)C2CC2)C1=O ZINC001400001827 924763776 /nfs/dbraw/zinc/76/37/76/924763776.db2.gz BFEMZGYCHZITBG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+](CCNC(=O)Cn2ncnn2)C2CC2)C1=O ZINC001400001827 924763782 /nfs/dbraw/zinc/76/37/82/924763782.db2.gz BFEMZGYCHZITBG-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001399999284 924763888 /nfs/dbraw/zinc/76/38/88/924763888.db2.gz RPCJOXMVRPGGCC-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001399999284 924763895 /nfs/dbraw/zinc/76/38/95/924763895.db2.gz RPCJOXMVRPGGCC-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001400021691 924765903 /nfs/dbraw/zinc/76/59/03/924765903.db2.gz NCEAPPOZMBJVAN-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)CCn2cnnn2)C2CC2)C1=O ZINC001400046307 924766683 /nfs/dbraw/zinc/76/66/83/924766683.db2.gz CMEMANNRHHEWDR-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)CCn2cnnn2)C2CC2)C1=O ZINC001400046307 924766686 /nfs/dbraw/zinc/76/66/86/924766686.db2.gz CMEMANNRHHEWDR-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001400106524 924772722 /nfs/dbraw/zinc/77/27/22/924772722.db2.gz WDJNFZVXXGXWBV-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400156687 924773830 /nfs/dbraw/zinc/77/38/30/924773830.db2.gz UXCDTBGOLQWXOW-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400147053 924774419 /nfs/dbraw/zinc/77/44/19/924774419.db2.gz NCOZGUKMVRIEKK-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400179860 924775879 /nfs/dbraw/zinc/77/58/79/924775879.db2.gz WHAWAJHGJOTGSR-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)CCNC(N)=O ZINC001400206632 924778183 /nfs/dbraw/zinc/77/81/83/924778183.db2.gz JQYDFNHMIDUHMT-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001400210844 924778994 /nfs/dbraw/zinc/77/89/94/924778994.db2.gz VXBREBLXDCWCSR-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001400210844 924779000 /nfs/dbraw/zinc/77/90/00/924779000.db2.gz VXBREBLXDCWCSR-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001400210847 924779356 /nfs/dbraw/zinc/77/93/56/924779356.db2.gz VXBREBLXDCWCSR-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001400210847 924779363 /nfs/dbraw/zinc/77/93/63/924779363.db2.gz VXBREBLXDCWCSR-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001400211797 924779430 /nfs/dbraw/zinc/77/94/30/924779430.db2.gz DFNQBWICRYJQQH-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001400219774 924779760 /nfs/dbraw/zinc/77/97/60/924779760.db2.gz KIDIPHOSCVDANB-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001400219774 924779768 /nfs/dbraw/zinc/77/97/68/924779768.db2.gz KIDIPHOSCVDANB-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001400222703 924779938 /nfs/dbraw/zinc/77/99/38/924779938.db2.gz LQEUSMAHIXRPMV-UWVGGRQHSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001400222703 924779974 /nfs/dbraw/zinc/77/99/74/924779974.db2.gz LQEUSMAHIXRPMV-UWVGGRQHSA-N 1 1 315.374 -2.133 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)c(=O)[nH]c1=O ZINC001400231317 924781070 /nfs/dbraw/zinc/78/10/70/924781070.db2.gz PCBMRDKTKCTASM-JTQLQIEISA-N 1 1 310.354 -1.128 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400231719 924781130 /nfs/dbraw/zinc/78/11/30/924781130.db2.gz AZWCQWLQQMUYNJ-NWDGAFQWSA-N 1 1 311.386 -1.257 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)c(=O)[nH]c1=O ZINC001400231323 924781499 /nfs/dbraw/zinc/78/14/99/924781499.db2.gz PCBMRDKTKCTASM-SNVBAGLBSA-N 1 1 310.354 -1.128 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001400260404 924783094 /nfs/dbraw/zinc/78/30/94/924783094.db2.gz XDXOKXRLBVWDAU-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400297847 924786140 /nfs/dbraw/zinc/78/61/40/924786140.db2.gz VLMDHUHSQZQFDA-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400294872 924786351 /nfs/dbraw/zinc/78/63/51/924786351.db2.gz AKXBZTQGXQLGTA-GARJFASQSA-N 1 1 300.359 -1.744 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001400354463 924790424 /nfs/dbraw/zinc/79/04/24/924790424.db2.gz QXRZUPFARCHDLB-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001400376917 924792634 /nfs/dbraw/zinc/79/26/34/924792634.db2.gz GLSQIJJGKKHIFS-SECBINFHSA-N 1 1 308.342 -1.425 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CC[C@@H](C)F)C1)C(N)=O ZINC001400391969 924793861 /nfs/dbraw/zinc/79/38/61/924793861.db2.gz BXLYEGXFMFZVMB-KCJUWKMLSA-N 1 1 302.350 -1.085 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC001400428777 924798314 /nfs/dbraw/zinc/79/83/14/924798314.db2.gz YJIOHDQIWLNDDM-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001400446882 924800716 /nfs/dbraw/zinc/80/07/16/924800716.db2.gz XFEWYPTXULWRCJ-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001400446878 924800807 /nfs/dbraw/zinc/80/08/07/924800807.db2.gz XFEWYPTXULWRCJ-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001400446880 924801092 /nfs/dbraw/zinc/80/10/92/924801092.db2.gz XFEWYPTXULWRCJ-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO CCN(C)C(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001400469446 924801515 /nfs/dbraw/zinc/80/15/15/924801515.db2.gz OTDSGMIILOFTEL-ZDUSSCGKSA-N 1 1 312.414 -1.157 20 0 DAADMO CCN(C)C(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001400469446 924801524 /nfs/dbraw/zinc/80/15/24/924801524.db2.gz OTDSGMIILOFTEL-ZDUSSCGKSA-N 1 1 312.414 -1.157 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)n1 ZINC001400510270 924807576 /nfs/dbraw/zinc/80/75/76/924807576.db2.gz GZCOJXNVFJFUMX-UHFFFAOYSA-N 1 1 307.358 -1.602 20 0 DAADMO CC[C@@H](F)C[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001400529513 924808167 /nfs/dbraw/zinc/80/81/67/924808167.db2.gz STGAVWGIBGROHA-SNVBAGLBSA-N 1 1 310.395 -1.164 20 0 DAADMO Cn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001400553771 924810372 /nfs/dbraw/zinc/81/03/72/924810372.db2.gz QELPNLQBVNXQJI-JTQLQIEISA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001400553771 924810382 /nfs/dbraw/zinc/81/03/82/924810382.db2.gz QELPNLQBVNXQJI-JTQLQIEISA-N 1 1 322.369 -1.476 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400555571 924811056 /nfs/dbraw/zinc/81/10/56/924811056.db2.gz VUYYZHXDTFQHIE-NSHDSACASA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400555571 924811063 /nfs/dbraw/zinc/81/10/63/924811063.db2.gz VUYYZHXDTFQHIE-NSHDSACASA-N 1 1 322.369 -1.626 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001400571770 924814143 /nfs/dbraw/zinc/81/41/43/924814143.db2.gz UALSBTIYAVTPKR-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCNC1=O ZINC001400584052 924815456 /nfs/dbraw/zinc/81/54/56/924815456.db2.gz ROQZRHCJEHIINC-ZDEQEGDKSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001400603823 924815590 /nfs/dbraw/zinc/81/55/90/924815590.db2.gz NPBSPMGSQNIUGK-NGZCFLSTSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001400603823 924815599 /nfs/dbraw/zinc/81/55/99/924815599.db2.gz NPBSPMGSQNIUGK-NGZCFLSTSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001400603826 924817016 /nfs/dbraw/zinc/81/70/16/924817016.db2.gz NPBSPMGSQNIUGK-QXEWZRGKSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001400603826 924817024 /nfs/dbraw/zinc/81/70/24/924817024.db2.gz NPBSPMGSQNIUGK-QXEWZRGKSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001400632318 924818628 /nfs/dbraw/zinc/81/86/28/924818628.db2.gz WPEBIXMXHWJOQX-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001400632318 924818635 /nfs/dbraw/zinc/81/86/35/924818635.db2.gz WPEBIXMXHWJOQX-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001400630607 924818976 /nfs/dbraw/zinc/81/89/76/924818976.db2.gz OVSWAMQYEXXLJT-KOLCDFICSA-N 1 1 322.369 -1.035 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400650603 924819936 /nfs/dbraw/zinc/81/99/36/924819936.db2.gz BYYYCLHHAXBKSE-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400650603 924819943 /nfs/dbraw/zinc/81/99/43/924819943.db2.gz BYYYCLHHAXBKSE-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001400648570 924820114 /nfs/dbraw/zinc/82/01/14/924820114.db2.gz HCEGUPSKPRRNLS-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001400648570 924820123 /nfs/dbraw/zinc/82/01/23/924820123.db2.gz HCEGUPSKPRRNLS-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400661927 924822239 /nfs/dbraw/zinc/82/22/39/924822239.db2.gz IBZPWKIKMWTGQP-APLZJWDSSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400661927 924822247 /nfs/dbraw/zinc/82/22/47/924822247.db2.gz IBZPWKIKMWTGQP-APLZJWDSSA-N 1 1 310.354 -1.347 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400660920 924822972 /nfs/dbraw/zinc/82/29/72/924822972.db2.gz NQBKSGLLRUIUGA-RKDXNWHRSA-N 1 1 319.387 -2.881 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400660920 924822978 /nfs/dbraw/zinc/82/29/78/924822978.db2.gz NQBKSGLLRUIUGA-RKDXNWHRSA-N 1 1 319.387 -2.881 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001400706508 924826352 /nfs/dbraw/zinc/82/63/52/924826352.db2.gz VZPDRHVIQJHCSP-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721365 924826880 /nfs/dbraw/zinc/82/68/80/924826880.db2.gz MOYDMSMDNMUKAQ-JCIQBVFBSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721365 924826889 /nfs/dbraw/zinc/82/68/89/924826889.db2.gz MOYDMSMDNMUKAQ-JCIQBVFBSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001400706515 924827309 /nfs/dbraw/zinc/82/73/09/924827309.db2.gz VZPDRHVIQJHCSP-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001400737257 924827547 /nfs/dbraw/zinc/82/75/47/924827547.db2.gz LVBLJXSKRHSAFH-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001400746825 924828205 /nfs/dbraw/zinc/82/82/05/924828205.db2.gz VQRFQBXIFDSJFC-MNOVXSKESA-N 1 1 312.374 -1.246 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC001400744678 924829127 /nfs/dbraw/zinc/82/91/27/924829127.db2.gz BFFVQLCYGCFRKJ-UHFFFAOYSA-N 1 1 324.385 -1.007 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001400729371 924829315 /nfs/dbraw/zinc/82/93/15/924829315.db2.gz BNTJMPKICRHZGY-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001400729371 924829324 /nfs/dbraw/zinc/82/93/24/924829324.db2.gz BNTJMPKICRHZGY-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1 ZINC001400756089 924829861 /nfs/dbraw/zinc/82/98/61/924829861.db2.gz ZMPSXJKDGSWFIH-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001400800826 924831972 /nfs/dbraw/zinc/83/19/72/924831972.db2.gz XSIPGJPNAJLINW-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400782153 924833053 /nfs/dbraw/zinc/83/30/53/924833053.db2.gz ZFGVGODUVNTCFF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400782153 924833058 /nfs/dbraw/zinc/83/30/58/924833058.db2.gz ZFGVGODUVNTCFF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001400853669 924833661 /nfs/dbraw/zinc/83/36/61/924833661.db2.gz VSQNQIKWYJZGDM-JTQLQIEISA-N 1 1 324.389 -2.374 20 0 DAADMO CC[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnon1 ZINC001400819023 924833773 /nfs/dbraw/zinc/83/37/73/924833773.db2.gz KJHFYAQZNOPWPH-LLVKDONJSA-N 1 1 324.385 -1.172 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001400835523 924834578 /nfs/dbraw/zinc/83/45/78/924834578.db2.gz UJIMIESKFJKCLW-IUCAKERBSA-N 1 1 310.362 -1.782 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnn(CC)n1 ZINC001400879997 924836344 /nfs/dbraw/zinc/83/63/44/924836344.db2.gz UFOCFHLGQQMLHM-KOLCDFICSA-N 1 1 309.374 -1.036 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnn(CC)n1 ZINC001400880006 924836430 /nfs/dbraw/zinc/83/64/30/924836430.db2.gz UFOCFHLGQQMLHM-MWLCHTKSSA-N 1 1 309.374 -1.036 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401000010 924836954 /nfs/dbraw/zinc/83/69/54/924836954.db2.gz ADSIBPCZHSZQLI-TVQRCGJNSA-N 1 1 322.373 -1.734 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1nnn(C)n1 ZINC001401113508 924841819 /nfs/dbraw/zinc/84/18/19/924841819.db2.gz BBYSXSHRWZCODE-MRVPVSSYSA-N 1 1 306.330 -1.139 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1nnn(C)n1 ZINC001401115327 924843008 /nfs/dbraw/zinc/84/30/08/924843008.db2.gz BQYRBKMRSQHTBA-UWVGGRQHSA-N 1 1 309.374 -1.470 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156498 924845062 /nfs/dbraw/zinc/84/50/62/924845062.db2.gz BBWRIGGORFKATQ-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156498 924845068 /nfs/dbraw/zinc/84/50/68/924845068.db2.gz BBWRIGGORFKATQ-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001401165196 924847101 /nfs/dbraw/zinc/84/71/01/924847101.db2.gz TYTZIHFXPRXMSV-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001401165196 924847113 /nfs/dbraw/zinc/84/71/13/924847113.db2.gz TYTZIHFXPRXMSV-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001401161179 924847847 /nfs/dbraw/zinc/84/78/47/924847847.db2.gz MFBPFPGADIUJLD-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001401161179 924847856 /nfs/dbraw/zinc/84/78/56/924847856.db2.gz MFBPFPGADIUJLD-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170467 924849493 /nfs/dbraw/zinc/84/94/93/924849493.db2.gz GRPARILZPRNGRH-YPMHNXCESA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170467 924849499 /nfs/dbraw/zinc/84/94/99/924849499.db2.gz GRPARILZPRNGRH-YPMHNXCESA-N 1 1 311.386 -1.055 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2ncnn2)nn1 ZINC001401206822 924849845 /nfs/dbraw/zinc/84/98/45/924849845.db2.gz IWZAVAJAYFRSCZ-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001401236905 924851496 /nfs/dbraw/zinc/85/14/96/924851496.db2.gz HDELXAQFNGMJFA-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001401245913 924853029 /nfs/dbraw/zinc/85/30/29/924853029.db2.gz VLSQKEMRCOHAFX-LBPRGKRZSA-N 1 1 320.397 -1.155 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCc1cnn(C)n1 ZINC001401246773 924853877 /nfs/dbraw/zinc/85/38/77/924853877.db2.gz ZEIJKWDKFLRWHT-JTQLQIEISA-N 1 1 321.389 -1.092 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnnn1C ZINC001401317475 924855848 /nfs/dbraw/zinc/85/58/48/924855848.db2.gz IXAPIWWSFYSORS-RKDXNWHRSA-N 1 1 311.346 -1.451 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001401352358 924858209 /nfs/dbraw/zinc/85/82/09/924858209.db2.gz HGCWNUYWWPCMAJ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)CCn1cncn1 ZINC001401367802 924858507 /nfs/dbraw/zinc/85/85/07/924858507.db2.gz LWYXSGXEYDDRGN-UHFFFAOYSA-N 1 1 311.390 -1.013 20 0 DAADMO CCc1nnc(N2CCNC(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001401464135 924860446 /nfs/dbraw/zinc/86/04/46/924860446.db2.gz NYFQWCJTMOBNLI-AWEZNQCLSA-N 1 1 308.386 -1.157 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001401475304 924860920 /nfs/dbraw/zinc/86/09/20/924860920.db2.gz FCFRHZDQYSAZHS-NEPJUHHUSA-N 1 1 319.427 -1.207 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401439233 924861080 /nfs/dbraw/zinc/86/10/80/924861080.db2.gz OJQLEIHSVRLSHF-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401439233 924861090 /nfs/dbraw/zinc/86/10/90/924861090.db2.gz OJQLEIHSVRLSHF-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3cnon3)CC[C@@H]21 ZINC001401474714 924861494 /nfs/dbraw/zinc/86/14/94/924861494.db2.gz DTSQJDBMIDKDDL-WPRPVWTQSA-N 1 1 322.325 -1.199 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001401490489 924864093 /nfs/dbraw/zinc/86/40/93/924864093.db2.gz KDFNCDZUHSKNOJ-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001401496869 924866137 /nfs/dbraw/zinc/86/61/37/924866137.db2.gz VWAFWWPPQYZYJY-JTQLQIEISA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nscc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001401494125 924866349 /nfs/dbraw/zinc/86/63/49/924866349.db2.gz INNHTKYTAQYESQ-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)c1ncccc1O ZINC001401495191 924866688 /nfs/dbraw/zinc/86/66/88/924866688.db2.gz JJMBJTFYLOOJDT-ZJUUUORDSA-N 1 1 308.338 -1.254 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)c1ncccc1O ZINC001401495148 924866936 /nfs/dbraw/zinc/86/69/36/924866936.db2.gz JJMBJTFYLOOJDT-NXEZZACHSA-N 1 1 308.338 -1.254 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1cncn1)c1nncn1C ZINC001401496758 924867098 /nfs/dbraw/zinc/86/70/98/924867098.db2.gz CHNJIEUHPUWLFJ-MNOVXSKESA-N 1 1 322.373 -1.375 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cncn1)c1nncn1C ZINC001401496746 924867765 /nfs/dbraw/zinc/86/77/65/924867765.db2.gz CHNJIEUHPUWLFJ-GHMZBOCLSA-N 1 1 322.373 -1.375 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401501118 924869073 /nfs/dbraw/zinc/86/90/73/924869073.db2.gz YYKAGLKQQBPQPP-CBAPKCEASA-N 1 1 301.372 -1.371 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401501122 924869799 /nfs/dbraw/zinc/86/97/99/924869799.db2.gz YYKAGLKQQBPQPP-IONNQARKSA-N 1 1 301.372 -1.371 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cccnc1)c1nnnn1C ZINC001401500819 924869918 /nfs/dbraw/zinc/86/99/18/924869918.db2.gz AUZHZXVCAYSUCJ-PWSUYJOCSA-N 1 1 319.369 -1.025 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401501126 924869942 /nfs/dbraw/zinc/86/99/42/924869942.db2.gz YYKAGLKQQBPQPP-VXNVDRBHSA-N 1 1 301.372 -1.371 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001401499743 924869980 /nfs/dbraw/zinc/86/99/80/924869980.db2.gz FWBYLHSYCWCGLF-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc(C)o2)n1 ZINC001401504848 924871030 /nfs/dbraw/zinc/87/10/30/924871030.db2.gz JFAPWTUNONRKEF-NSHDSACASA-N 1 1 323.357 -1.201 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)ncn1 ZINC001401502407 924871564 /nfs/dbraw/zinc/87/15/64/924871564.db2.gz HMZQZWNLYRDTGS-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001401506857 924872115 /nfs/dbraw/zinc/87/21/15/924872115.db2.gz LMUZUWXZNLUJEC-SNVBAGLBSA-N 1 1 310.358 -1.638 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1nocc1C ZINC001401511353 924872570 /nfs/dbraw/zinc/87/25/70/924872570.db2.gz TZFCGUQNQBUYNK-SNVBAGLBSA-N 1 1 313.358 -1.131 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1nocc1C ZINC001401511349 924873003 /nfs/dbraw/zinc/87/30/03/924873003.db2.gz TZFCGUQNQBUYNK-JTQLQIEISA-N 1 1 313.358 -1.131 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001401514087 924873584 /nfs/dbraw/zinc/87/35/84/924873584.db2.gz NPSVTMWLUKUPHZ-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnns1)C1CS(=O)(=O)C1 ZINC001401517951 924874749 /nfs/dbraw/zinc/87/47/49/924874749.db2.gz UVNHSAWAGRBJBH-QMMMGPOBSA-N 1 1 320.396 -1.851 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001401532620 924874761 /nfs/dbraw/zinc/87/47/61/924874761.db2.gz CIFJCNRJZICLIC-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001401519427 924874877 /nfs/dbraw/zinc/87/48/77/924874877.db2.gz ZRCOFUAIWFFPKJ-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401515397 924875743 /nfs/dbraw/zinc/87/57/43/924875743.db2.gz XCCLDZZTVHZWDN-SNVBAGLBSA-N 1 1 320.357 -1.080 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O ZINC001401535004 924876569 /nfs/dbraw/zinc/87/65/69/924876569.db2.gz GBRHIGLEBBJOLV-SECBINFHSA-N 1 1 319.387 -2.184 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001401533986 924877339 /nfs/dbraw/zinc/87/73/39/924877339.db2.gz ARQVJRVCKIBFRY-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccncn1 ZINC001401533988 924877352 /nfs/dbraw/zinc/87/73/52/924877352.db2.gz ARQVJRVCKIBFRY-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)S(C)(=O)=O ZINC001401536723 924877554 /nfs/dbraw/zinc/87/75/54/924877554.db2.gz JOMFSBFKBZYCOA-WCBMZHEXSA-N 1 1 305.356 -1.326 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001401534319 924877724 /nfs/dbraw/zinc/87/77/24/924877724.db2.gz BIIVXEVVPNRBLN-NSHDSACASA-N 1 1 316.402 -2.103 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001401541161 924878793 /nfs/dbraw/zinc/87/87/93/924878793.db2.gz NXOLKQCTNXWTQM-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)[nH]n1 ZINC001401540447 924879169 /nfs/dbraw/zinc/87/91/69/924879169.db2.gz NIRRUJGHSVYYRQ-VIFPVBQESA-N 1 1 323.357 -1.183 20 0 DAADMO CO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001401543768 924879417 /nfs/dbraw/zinc/87/94/17/924879417.db2.gz JBTXLHKAJGHEAT-ONGXEEELSA-N 1 1 300.363 -1.552 20 0 DAADMO CCOc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)[nH]n1 ZINC001401540435 924879842 /nfs/dbraw/zinc/87/98/42/924879842.db2.gz NIRRUJGHSVYYRQ-SECBINFHSA-N 1 1 323.357 -1.183 20 0 DAADMO CO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001401543568 924880272 /nfs/dbraw/zinc/88/02/72/924880272.db2.gz JBTXLHKAJGHEAT-GXSJLCMTSA-N 1 1 300.363 -1.552 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001401542638 924880438 /nfs/dbraw/zinc/88/04/38/924880438.db2.gz OULXNXYSACXBAQ-SECBINFHSA-N 1 1 301.372 -1.361 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncn(C)c2=O)no1 ZINC001401544157 924880468 /nfs/dbraw/zinc/88/04/68/924880468.db2.gz QTCNQLLTHVYPSO-NSHDSACASA-N 1 1 324.341 -1.855 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1)c1nnnn1C ZINC001401545269 924881327 /nfs/dbraw/zinc/88/13/27/924881327.db2.gz CRFAFLZHXRRJND-WDEREUQCSA-N 1 1 322.373 -1.375 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cn(C)nc2C)[nH]1 ZINC001401547061 924881671 /nfs/dbraw/zinc/88/16/71/924881671.db2.gz VTQNCZDODWOWGR-GFCCVEGCSA-N 1 1 321.385 -1.036 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001401547397 924881782 /nfs/dbraw/zinc/88/17/82/924881782.db2.gz IXOCNFPTQUAGPY-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1ccnc1)c1nnnn1C ZINC001401545262 924882161 /nfs/dbraw/zinc/88/21/61/924882161.db2.gz CRFAFLZHXRRJND-QWRGUYRKSA-N 1 1 322.373 -1.375 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001401546525 924882198 /nfs/dbraw/zinc/88/21/98/924882198.db2.gz AVGSBZYNVUIALS-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)n1 ZINC001401545059 924882428 /nfs/dbraw/zinc/88/24/28/924882428.db2.gz FFKIKZCWSQVXPB-FZMZJTMJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)n1 ZINC001401545083 924882507 /nfs/dbraw/zinc/88/25/07/924882507.db2.gz FFKIKZCWSQVXPB-SMDDNHRTSA-N 1 1 324.385 -1.702 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1)S(C)(=O)=O ZINC001401549591 924883738 /nfs/dbraw/zinc/88/37/38/924883738.db2.gz YIPGCJBARZDACP-SECBINFHSA-N 1 1 321.359 -2.472 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001401548754 924884793 /nfs/dbraw/zinc/88/47/93/924884793.db2.gz BJDUYVOXZJBULJ-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnns1)S(C)(=O)=O ZINC001401549195 924884881 /nfs/dbraw/zinc/88/48/81/924884881.db2.gz XPNNZTZYGIMPGC-JGVFFNPUSA-N 1 1 322.412 -1.462 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cncnc1 ZINC001401553071 924887066 /nfs/dbraw/zinc/88/70/66/924887066.db2.gz OTUXOYWMPDDVFA-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001401555555 924888775 /nfs/dbraw/zinc/88/87/75/924888775.db2.gz LQZSQAFBERHKNN-NSHDSACASA-N 1 1 323.357 -1.294 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)o1 ZINC001401556770 924888905 /nfs/dbraw/zinc/88/89/05/924888905.db2.gz QQCJJVJOGGMNCU-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)nn1 ZINC001401558492 924889194 /nfs/dbraw/zinc/88/91/94/924889194.db2.gz BTVFBDYSROXERI-SECBINFHSA-N 1 1 307.314 -2.221 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1cc2n(n1)CCO2 ZINC001401560500 924889972 /nfs/dbraw/zinc/88/99/72/924889972.db2.gz UNRXQMCUTPKACY-SNVBAGLBSA-N 1 1 318.337 -1.054 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001401560903 924890647 /nfs/dbraw/zinc/89/06/47/924890647.db2.gz FEZAONSNRRGLJM-SNVBAGLBSA-N 1 1 318.337 -1.251 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001401560994 924891125 /nfs/dbraw/zinc/89/11/25/924891125.db2.gz UYKUSIGAMAZTOW-MWLCHTKSSA-N 1 1 311.342 -1.447 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001401561160 924891212 /nfs/dbraw/zinc/89/12/12/924891212.db2.gz VKBRMHOEEIFYRD-LBPRGKRZSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1cnnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401563180 924892772 /nfs/dbraw/zinc/89/27/72/924892772.db2.gz SLEZUFGIIKQYRD-NEPJUHHUSA-N 1 1 310.402 -1.134 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001401563882 924892917 /nfs/dbraw/zinc/89/29/17/924892917.db2.gz OYXYKUUECUKUKC-STQMWFEESA-N 1 1 323.397 -1.236 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001401569272 924894249 /nfs/dbraw/zinc/89/42/49/924894249.db2.gz BWHDEOQYEONYED-VIFPVBQESA-N 1 1 313.362 -2.309 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401568198 924894345 /nfs/dbraw/zinc/89/43/45/924894345.db2.gz YZNLUHNMVPTKGA-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001401566705 924894803 /nfs/dbraw/zinc/89/48/03/924894803.db2.gz ONURQLLFSKHZOU-SNVBAGLBSA-N 1 1 308.346 -1.867 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401566337 924894822 /nfs/dbraw/zinc/89/48/22/924894822.db2.gz GPBYHDOZGZRJHG-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)NCC(F)(F)F ZINC001401569295 924894942 /nfs/dbraw/zinc/89/49/42/924894942.db2.gz RRJVXYUJEMOALH-LURJTMIESA-N 1 1 324.263 -1.837 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001401567839 924895592 /nfs/dbraw/zinc/89/55/92/924895592.db2.gz NXEMATLWERLUHQ-MNOVXSKESA-N 1 1 312.374 -1.407 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001401571995 924895905 /nfs/dbraw/zinc/89/59/05/924895905.db2.gz DYZCKNPHQGEOTA-LLVKDONJSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnccn1 ZINC001401571083 924895946 /nfs/dbraw/zinc/89/59/46/924895946.db2.gz RGGKAFHZRQWDJI-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1nonc1C ZINC001401572398 924897377 /nfs/dbraw/zinc/89/73/77/924897377.db2.gz MPLKBXHVSRRMGO-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001401577740 924898063 /nfs/dbraw/zinc/89/80/63/924898063.db2.gz KHDSBTCASSZLSE-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001401577740 924898069 /nfs/dbraw/zinc/89/80/69/924898069.db2.gz KHDSBTCASSZLSE-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2cncn2C)nn1 ZINC001401583463 924900520 /nfs/dbraw/zinc/90/05/20/924900520.db2.gz NCWPTJDGLPEWRH-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cncn1)c1nncn1C ZINC001401579849 924900571 /nfs/dbraw/zinc/90/05/71/924900571.db2.gz TYHHBODJUYZMNW-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)n1 ZINC001401581601 924900878 /nfs/dbraw/zinc/90/08/78/924900878.db2.gz QJLMHVGJRSYXBP-JTQLQIEISA-N 1 1 309.330 -1.130 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001401587973 924903014 /nfs/dbraw/zinc/90/30/14/924903014.db2.gz XQMLKMSVTJDTBT-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001401587973 924903023 /nfs/dbraw/zinc/90/30/23/924903023.db2.gz XQMLKMSVTJDTBT-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001401586545 924903370 /nfs/dbraw/zinc/90/33/70/924903370.db2.gz USEJVXFEQHJWMS-QMMMGPOBSA-N 1 1 301.372 -1.232 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001401630686 924907128 /nfs/dbraw/zinc/90/71/28/924907128.db2.gz BWEXIPAVNOUYEQ-MRVPVSSYSA-N 1 1 312.330 -2.084 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001401624155 924908054 /nfs/dbraw/zinc/90/80/54/924908054.db2.gz HNPNTGQTKBSIOS-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401624120 924908720 /nfs/dbraw/zinc/90/87/20/924908720.db2.gz HKRITRJXNMPZIG-NXEZZACHSA-N 1 1 320.357 -1.807 20 0 DAADMO Cc1conc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001401640883 924910224 /nfs/dbraw/zinc/91/02/24/924910224.db2.gz VFCDBEPWLIUDTE-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1ncn[nH]1 ZINC001401653315 924910419 /nfs/dbraw/zinc/91/04/19/924910419.db2.gz IOIVNCZQUFMOBS-RKDXNWHRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1nc[nH]n1 ZINC001401653315 924910424 /nfs/dbraw/zinc/91/04/24/924910424.db2.gz IOIVNCZQUFMOBS-RKDXNWHRSA-N 1 1 301.372 -1.053 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001401645162 924910471 /nfs/dbraw/zinc/91/04/71/924910471.db2.gz RVVCSOOCTSDYNJ-SSDOTTSWSA-N 1 1 306.330 -1.078 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CC1CS(=O)(=O)C1 ZINC001401689145 924914087 /nfs/dbraw/zinc/91/40/87/924914087.db2.gz BUBVWHLDFWPHBP-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001401692589 924914200 /nfs/dbraw/zinc/91/42/00/924914200.db2.gz PVQHRNSYULYQPS-MRBYEJRBSA-N 1 1 324.385 -1.144 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001401693204 924914742 /nfs/dbraw/zinc/91/47/42/924914742.db2.gz MQJAYNXHIDTOLJ-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001401700140 924914994 /nfs/dbraw/zinc/91/49/94/924914994.db2.gz KRVXIMVTAYPOAE-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1cnn[nH]1 ZINC001401692909 924915237 /nfs/dbraw/zinc/91/52/37/924915237.db2.gz BYJZKKNPUNTCDM-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401709184 924916254 /nfs/dbraw/zinc/91/62/54/924916254.db2.gz SVTANCDDUPJPEU-INTQDDNPSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](C[NH2+]Cc1ccon1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401720739 924916685 /nfs/dbraw/zinc/91/66/85/924916685.db2.gz MVEQDXSTQINWJA-WPRPVWTQSA-N 1 1 302.356 -1.039 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744164 924918500 /nfs/dbraw/zinc/91/85/00/924918500.db2.gz ZRCBKRQGGVDKRJ-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744164 924918508 /nfs/dbraw/zinc/91/85/08/924918508.db2.gz ZRCBKRQGGVDKRJ-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(C)C ZINC001401754363 924919163 /nfs/dbraw/zinc/91/91/63/924919163.db2.gz JGTXLOHCQZCSII-SNVBAGLBSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(C)C ZINC001401754363 924919171 /nfs/dbraw/zinc/91/91/71/924919171.db2.gz JGTXLOHCQZCSII-SNVBAGLBSA-N 1 1 301.391 -1.124 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401758672 924919309 /nfs/dbraw/zinc/91/93/09/924919309.db2.gz NXHJXNJTMRRGAA-GXSJLCMTSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401758672 924919315 /nfs/dbraw/zinc/91/93/15/924919315.db2.gz NXHJXNJTMRRGAA-GXSJLCMTSA-N 1 1 308.400 -1.525 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001401747489 924919691 /nfs/dbraw/zinc/91/96/91/924919691.db2.gz IIAQGDJRLXGCPQ-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001401747489 924919693 /nfs/dbraw/zinc/91/96/93/924919693.db2.gz IIAQGDJRLXGCPQ-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001401733893 924919706 /nfs/dbraw/zinc/91/97/06/924919706.db2.gz OIVNYSYMJAXRQU-JTQLQIEISA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001401733893 924919712 /nfs/dbraw/zinc/91/97/12/924919712.db2.gz OIVNYSYMJAXRQU-JTQLQIEISA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756263 924919729 /nfs/dbraw/zinc/91/97/29/924919729.db2.gz DCMHSPGUEYJASR-UWVGGRQHSA-N 1 1 323.353 -1.726 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756263 924919736 /nfs/dbraw/zinc/91/97/36/924919736.db2.gz DCMHSPGUEYJASR-UWVGGRQHSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001401737640 924920018 /nfs/dbraw/zinc/92/00/18/924920018.db2.gz VZUBMQGJLQQUBP-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001401737640 924920024 /nfs/dbraw/zinc/92/00/24/924920024.db2.gz VZUBMQGJLQQUBP-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001401752189 924920073 /nfs/dbraw/zinc/92/00/73/924920073.db2.gz JGAPKNHNZGZUTQ-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001401752189 924920079 /nfs/dbraw/zinc/92/00/79/924920079.db2.gz JGAPKNHNZGZUTQ-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001401752935 924920115 /nfs/dbraw/zinc/92/01/15/924920115.db2.gz PJGYVPROGUIBRN-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001401752935 924920120 /nfs/dbraw/zinc/92/01/20/924920120.db2.gz PJGYVPROGUIBRN-JGVFFNPUSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001401730413 924920171 /nfs/dbraw/zinc/92/01/71/924920171.db2.gz VFSWIRAIHXYXFP-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001401730413 924920178 /nfs/dbraw/zinc/92/01/78/924920178.db2.gz VFSWIRAIHXYXFP-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001401776784 924920735 /nfs/dbraw/zinc/92/07/35/924920735.db2.gz IJYNWQBHUXAMCU-SECBINFHSA-N 1 1 309.370 -1.114 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001401776784 924920723 /nfs/dbraw/zinc/92/07/23/924920723.db2.gz IJYNWQBHUXAMCU-SECBINFHSA-N 1 1 309.370 -1.114 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001401799314 924921377 /nfs/dbraw/zinc/92/13/77/924921377.db2.gz ILYBOEKHDUYFSH-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001401799314 924921388 /nfs/dbraw/zinc/92/13/88/924921388.db2.gz ILYBOEKHDUYFSH-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001401761494 924921513 /nfs/dbraw/zinc/92/15/13/924921513.db2.gz LXBOEQBGHFWROG-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)Cn1ncn(C)c1=O ZINC001401761494 924921521 /nfs/dbraw/zinc/92/15/21/924921521.db2.gz LXBOEQBGHFWROG-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001401768642 924921746 /nfs/dbraw/zinc/92/17/46/924921746.db2.gz VXNSOXUAVTTWJK-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001401790815 924922510 /nfs/dbraw/zinc/92/25/10/924922510.db2.gz ZSRDPCLZQBGHKW-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812918 924923510 /nfs/dbraw/zinc/92/35/10/924923510.db2.gz BHHHQWNDVUZMPH-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812918 924923517 /nfs/dbraw/zinc/92/35/17/924923517.db2.gz BHHHQWNDVUZMPH-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401803791 924923573 /nfs/dbraw/zinc/92/35/73/924923573.db2.gz IZTRLELAZXMLOK-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nonc1C ZINC001401818250 924923600 /nfs/dbraw/zinc/92/36/00/924923600.db2.gz KBQQMUULGOSIRF-ZETCQYMHSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nonc1C ZINC001401818250 924923608 /nfs/dbraw/zinc/92/36/08/924923608.db2.gz KBQQMUULGOSIRF-ZETCQYMHSA-N 1 1 312.330 -1.116 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001401846174 924924595 /nfs/dbraw/zinc/92/45/95/924924595.db2.gz DJHPWVXKLBBZGH-QWRGUYRKSA-N 1 1 307.358 -1.519 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCCF ZINC001401885696 924927837 /nfs/dbraw/zinc/92/78/37/924927837.db2.gz FPSNOGIQXAYJHQ-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001401894100 924929041 /nfs/dbraw/zinc/92/90/41/924929041.db2.gz YHPQSKBQRQFZHO-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001401890425 924929375 /nfs/dbraw/zinc/92/93/75/924929375.db2.gz XREGPRWROYOTIV-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001401890425 924929383 /nfs/dbraw/zinc/92/93/83/924929383.db2.gz XREGPRWROYOTIV-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001401904020 924930964 /nfs/dbraw/zinc/93/09/64/924930964.db2.gz IOQVSBAYRYKEEM-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001401904020 924930971 /nfs/dbraw/zinc/93/09/71/924930971.db2.gz IOQVSBAYRYKEEM-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)nc1=O ZINC001401914746 924931184 /nfs/dbraw/zinc/93/11/84/924931184.db2.gz DLIQPWSQEKEFAG-UHFFFAOYSA-N 1 1 307.318 -2.467 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001401907010 924931949 /nfs/dbraw/zinc/93/19/49/924931949.db2.gz OFFGLKOVMKPKGV-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](O)COC ZINC001401916744 924933352 /nfs/dbraw/zinc/93/33/52/924933352.db2.gz JTTURXDMYJUKOO-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)COC ZINC001401916744 924933364 /nfs/dbraw/zinc/93/33/64/924933364.db2.gz JTTURXDMYJUKOO-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001401936391 924933894 /nfs/dbraw/zinc/93/38/94/924933894.db2.gz TYCVJNRJCBTBMX-VXGBXAGGSA-N 1 1 324.385 -1.250 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916983 924934010 /nfs/dbraw/zinc/93/40/10/924934010.db2.gz NWXCHKLZEVFQDI-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916983 924934021 /nfs/dbraw/zinc/93/40/21/924934021.db2.gz NWXCHKLZEVFQDI-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001401940726 924935080 /nfs/dbraw/zinc/93/50/80/924935080.db2.gz ZAEKCVNGZZRVHE-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001401940726 924935089 /nfs/dbraw/zinc/93/50/89/924935089.db2.gz ZAEKCVNGZZRVHE-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCCC(=O)N3)CC2)nc1=O ZINC001401947085 924935748 /nfs/dbraw/zinc/93/57/48/924935748.db2.gz MXUVUDNMVMNHPJ-SECBINFHSA-N 1 1 322.369 -1.485 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001402015993 924940429 /nfs/dbraw/zinc/94/04/29/924940429.db2.gz DZSUCJKFHVRPBS-SNVBAGLBSA-N 1 1 314.386 -1.584 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001402035029 924940952 /nfs/dbraw/zinc/94/09/52/924940952.db2.gz DILBARSTXLODNA-GFCCVEGCSA-N 1 1 324.385 -1.555 20 0 DAADMO CCC[NH+]1CC(N(C)C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001402043325 924941715 /nfs/dbraw/zinc/94/17/15/924941715.db2.gz UCFNMBJJSGIOKJ-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C1C[NH+](CCCO)C1 ZINC001402033388 924942147 /nfs/dbraw/zinc/94/21/47/924942147.db2.gz KKFFWHNWOYUPAZ-ZDUSSCGKSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001402055117 924943722 /nfs/dbraw/zinc/94/37/22/924943722.db2.gz PKMZCPIBPUPTEF-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001402111232 924945228 /nfs/dbraw/zinc/94/52/28/924945228.db2.gz URLUZSPTEYQASD-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001402104015 924945448 /nfs/dbraw/zinc/94/54/48/924945448.db2.gz JSLLGLITTULGTB-UKRRQHHQSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@]1(NC(=O)Cc2cc[nH]n2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402120286 924947480 /nfs/dbraw/zinc/94/74/80/924947480.db2.gz BSADZWXEYRBFID-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@@]1(NC(=O)Cc2cc[nH]n2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402120286 924947485 /nfs/dbraw/zinc/94/74/85/924947485.db2.gz BSADZWXEYRBFID-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001402130067 924947493 /nfs/dbraw/zinc/94/74/93/924947493.db2.gz IXINNHZVWMSZCS-CYBMUJFWSA-N 1 1 319.373 -1.065 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402131505 924947517 /nfs/dbraw/zinc/94/75/17/924947517.db2.gz IUSBRPYGRBNZGF-HZMBPMFUSA-N 1 1 311.386 -1.096 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001402143659 924948599 /nfs/dbraw/zinc/94/85/99/924948599.db2.gz XTQDNYPFPXURIV-JTQLQIEISA-N 1 1 307.376 -2.894 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001402143659 924948602 /nfs/dbraw/zinc/94/86/02/924948602.db2.gz XTQDNYPFPXURIV-JTQLQIEISA-N 1 1 307.376 -2.894 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138181 924949860 /nfs/dbraw/zinc/94/98/60/924949860.db2.gz PGTGDRWOCXNPDV-CABZTGNLSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138181 924949866 /nfs/dbraw/zinc/94/98/66/924949866.db2.gz PGTGDRWOCXNPDV-CABZTGNLSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171491 924950756 /nfs/dbraw/zinc/95/07/56/924950756.db2.gz HRHFEYIIUDMVFB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171491 924950764 /nfs/dbraw/zinc/95/07/64/924950764.db2.gz HRHFEYIIUDMVFB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001402207793 924951008 /nfs/dbraw/zinc/95/10/08/924951008.db2.gz AYYWWVUJCYDDRS-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001402207793 924951012 /nfs/dbraw/zinc/95/10/12/924951012.db2.gz AYYWWVUJCYDDRS-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402169319 924951035 /nfs/dbraw/zinc/95/10/35/924951035.db2.gz CZJRQASIAWKFDX-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001402190315 924951073 /nfs/dbraw/zinc/95/10/73/924951073.db2.gz OXSSSIXHEZILTD-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001402190315 924951080 /nfs/dbraw/zinc/95/10/80/924951080.db2.gz OXSSSIXHEZILTD-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001402197453 924951433 /nfs/dbraw/zinc/95/14/33/924951433.db2.gz ZYHYTDJFBCMZCU-ZDUSSCGKSA-N 1 1 324.389 -1.533 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001402247706 924953223 /nfs/dbraw/zinc/95/32/23/924953223.db2.gz MMEHVAPLIYMHIA-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001402247706 924953227 /nfs/dbraw/zinc/95/32/27/924953227.db2.gz MMEHVAPLIYMHIA-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001402221654 924953526 /nfs/dbraw/zinc/95/35/26/924953526.db2.gz VZLASPPYBBWKFT-QWRGUYRKSA-N 1 1 305.400 -1.237 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C)cn2)C1 ZINC001402240052 924954462 /nfs/dbraw/zinc/95/44/62/924954462.db2.gz AZJVDWXPSIWSEI-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001402261828 924955001 /nfs/dbraw/zinc/95/50/01/924955001.db2.gz GTOOXJBMIFBDLX-CYBMUJFWSA-N 1 1 301.343 -1.822 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001402261828 924955007 /nfs/dbraw/zinc/95/50/07/924955007.db2.gz GTOOXJBMIFBDLX-CYBMUJFWSA-N 1 1 301.343 -1.822 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402253947 924955757 /nfs/dbraw/zinc/95/57/57/924955757.db2.gz YDVXWAZYDIFORL-CQSZACIVSA-N 1 1 309.370 -1.391 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402253947 924955763 /nfs/dbraw/zinc/95/57/63/924955763.db2.gz YDVXWAZYDIFORL-CQSZACIVSA-N 1 1 309.370 -1.391 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)nnn1C ZINC001402257930 924955807 /nfs/dbraw/zinc/95/58/07/924955807.db2.gz AJPMGTCNIPNFBU-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)nnn1C ZINC001402257930 924955818 /nfs/dbraw/zinc/95/58/18/924955818.db2.gz AJPMGTCNIPNFBU-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402263062 924955840 /nfs/dbraw/zinc/95/58/40/924955840.db2.gz FABJDDCBGRXVRY-CQSZACIVSA-N 1 1 309.370 -1.691 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402263062 924955849 /nfs/dbraw/zinc/95/58/49/924955849.db2.gz FABJDDCBGRXVRY-CQSZACIVSA-N 1 1 309.370 -1.691 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263769 924956251 /nfs/dbraw/zinc/95/62/51/924956251.db2.gz GLNYFTVQXDQGKZ-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263769 924956259 /nfs/dbraw/zinc/95/62/59/924956259.db2.gz GLNYFTVQXDQGKZ-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402265203 924956468 /nfs/dbraw/zinc/95/64/68/924956468.db2.gz FFKOYPAITOMFCU-ZANVPECISA-N 1 1 310.358 -1.456 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402253849 924956811 /nfs/dbraw/zinc/95/68/11/924956811.db2.gz AAQRDEWDUNHJDU-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402253849 924956816 /nfs/dbraw/zinc/95/68/16/924956816.db2.gz AAQRDEWDUNHJDU-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402262611 924956854 /nfs/dbraw/zinc/95/68/54/924956854.db2.gz HICQPUXBXGLRII-SMDDNHRTSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402262611 924956862 /nfs/dbraw/zinc/95/68/62/924956862.db2.gz HICQPUXBXGLRII-SMDDNHRTSA-N 1 1 322.369 -1.846 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001402265089 924957053 /nfs/dbraw/zinc/95/70/53/924957053.db2.gz HNUJRFXZSIQGRO-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001402265089 924957060 /nfs/dbraw/zinc/95/70/60/924957060.db2.gz HNUJRFXZSIQGRO-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3ccccn23)C1 ZINC001402271006 924957648 /nfs/dbraw/zinc/95/76/48/924957648.db2.gz HUAQGSDMKWAPRP-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3ccccn23)C1 ZINC001402271006 924957655 /nfs/dbraw/zinc/95/76/55/924957655.db2.gz HUAQGSDMKWAPRP-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402269026 924958149 /nfs/dbraw/zinc/95/81/49/924958149.db2.gz RGUNLGXPNOVNON-NHYWBVRUSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)n1 ZINC001402268769 924958450 /nfs/dbraw/zinc/95/84/50/924958450.db2.gz RELLTRJXRHLYQA-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)n1 ZINC001402268769 924958458 /nfs/dbraw/zinc/95/84/58/924958458.db2.gz RELLTRJXRHLYQA-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402272235 924958543 /nfs/dbraw/zinc/95/85/43/924958543.db2.gz OLGLUCBWTHTLCD-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402272235 924958546 /nfs/dbraw/zinc/95/85/46/924958546.db2.gz OLGLUCBWTHTLCD-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001402268406 924958558 /nfs/dbraw/zinc/95/85/58/924958558.db2.gz QLVRQSJICMCEQN-SWLSCSKDSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001402268406 924958560 /nfs/dbraw/zinc/95/85/60/924958560.db2.gz QLVRQSJICMCEQN-SWLSCSKDSA-N 1 1 324.381 -2.094 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccoc2)C1 ZINC001402268350 924958584 /nfs/dbraw/zinc/95/85/84/924958584.db2.gz QHZAXNPMYDEESV-AWEZNQCLSA-N 1 1 324.337 -1.430 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccoc2)C1 ZINC001402268350 924958586 /nfs/dbraw/zinc/95/85/86/924958586.db2.gz QHZAXNPMYDEESV-AWEZNQCLSA-N 1 1 324.337 -1.430 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001402268390 924958627 /nfs/dbraw/zinc/95/86/27/924958627.db2.gz QLVRQSJICMCEQN-DOMZBBRYSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001402268390 924958631 /nfs/dbraw/zinc/95/86/31/924958631.db2.gz QLVRQSJICMCEQN-DOMZBBRYSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402269011 924959104 /nfs/dbraw/zinc/95/91/04/924959104.db2.gz RGUNLGXPNOVNON-ABAIWWIYSA-N 1 1 313.398 -1.021 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001402271104 924959235 /nfs/dbraw/zinc/95/92/35/924959235.db2.gz SLVLSNXAECDDQK-RISCZKNCSA-N 1 1 307.354 -1.193 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001402272078 924959303 /nfs/dbraw/zinc/95/93/03/924959303.db2.gz WRIIZNJHHFPJJC-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001402272078 924959314 /nfs/dbraw/zinc/95/93/14/924959314.db2.gz WRIIZNJHHFPJJC-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001402270589 924959471 /nfs/dbraw/zinc/95/94/71/924959471.db2.gz QTWFFHQQUDODFN-BXUZGUMPSA-N 1 1 312.370 -1.406 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402272240 924959521 /nfs/dbraw/zinc/95/95/21/924959521.db2.gz OLGLUCBWTHTLCD-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402272240 924959527 /nfs/dbraw/zinc/95/95/27/924959527.db2.gz OLGLUCBWTHTLCD-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)n1 ZINC001402268783 924959632 /nfs/dbraw/zinc/95/96/32/924959632.db2.gz RELLTRJXRHLYQA-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n(C)n1 ZINC001402268783 924959640 /nfs/dbraw/zinc/95/96/40/924959640.db2.gz RELLTRJXRHLYQA-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001402269109 924959667 /nfs/dbraw/zinc/95/96/67/924959667.db2.gz LGTWSOCNUHMBHF-HNNXBMFYSA-N 1 1 313.398 -1.019 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001402269109 924959670 /nfs/dbraw/zinc/95/96/70/924959670.db2.gz LGTWSOCNUHMBHF-HNNXBMFYSA-N 1 1 313.398 -1.019 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402272182 924959776 /nfs/dbraw/zinc/95/97/76/924959776.db2.gz PHYLFABYVMLLFG-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402272182 924959783 /nfs/dbraw/zinc/95/97/83/924959783.db2.gz PHYLFABYVMLLFG-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1CCOC1 ZINC001402267456 924959924 /nfs/dbraw/zinc/95/99/24/924959924.db2.gz RPCPVXFDWZEDPW-JSGCOSHPSA-N 1 1 309.370 -1.132 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402268907 924959951 /nfs/dbraw/zinc/95/99/51/924959951.db2.gz UKKJAXVFLFACFQ-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402268907 924959958 /nfs/dbraw/zinc/95/99/58/924959958.db2.gz UKKJAXVFLFACFQ-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402272185 924960062 /nfs/dbraw/zinc/96/00/62/924960062.db2.gz PHYLFABYVMLLFG-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402272185 924960068 /nfs/dbraw/zinc/96/00/68/924960068.db2.gz PHYLFABYVMLLFG-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1COCCO1 ZINC001402273318 924960670 /nfs/dbraw/zinc/96/06/70/924960670.db2.gz VWISPSMKZXUEEE-ZFWWWQNUSA-N 1 1 324.381 -1.149 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001402273185 924960727 /nfs/dbraw/zinc/96/07/27/924960727.db2.gz NZGMMSUGBMEWIB-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001402273185 924960730 /nfs/dbraw/zinc/96/07/30/924960730.db2.gz NZGMMSUGBMEWIB-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001402276598 924961039 /nfs/dbraw/zinc/96/10/39/924961039.db2.gz ZNUGSHPWVFBISO-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001402276598 924961044 /nfs/dbraw/zinc/96/10/44/924961044.db2.gz ZNUGSHPWVFBISO-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)cn1 ZINC001402276808 924961181 /nfs/dbraw/zinc/96/11/81/924961181.db2.gz UVYMZTYOYUFMSY-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)cn1 ZINC001402276808 924961189 /nfs/dbraw/zinc/96/11/89/924961189.db2.gz UVYMZTYOYUFMSY-AWEZNQCLSA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001402273191 924961361 /nfs/dbraw/zinc/96/13/61/924961361.db2.gz NZGMMSUGBMEWIB-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001402273191 924961366 /nfs/dbraw/zinc/96/13/66/924961366.db2.gz NZGMMSUGBMEWIB-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001402275834 924961471 /nfs/dbraw/zinc/96/14/71/924961471.db2.gz YVUFXGMFUYLJGA-AWEZNQCLSA-N 1 1 321.337 -1.178 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402275014 924961646 /nfs/dbraw/zinc/96/16/46/924961646.db2.gz JEMJXSQGFKFREM-ZWNOBZJWSA-N 1 1 302.375 -1.761 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402274263 924961710 /nfs/dbraw/zinc/96/17/10/924961710.db2.gz MAAXGRGTSQAJRM-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402274263 924961717 /nfs/dbraw/zinc/96/17/17/924961717.db2.gz MAAXGRGTSQAJRM-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO CCn1nc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)ccc1=O ZINC001402278414 924961971 /nfs/dbraw/zinc/96/19/71/924961971.db2.gz CEACYLLDMPGHNS-CQSZACIVSA-N 1 1 310.354 -1.578 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)c1=O ZINC001402272790 924962219 /nfs/dbraw/zinc/96/22/19/924962219.db2.gz JKRZADNNYWYNFN-ZDUSSCGKSA-N 1 1 315.349 -1.506 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(=O)NC)C2)n1 ZINC001402284341 924962949 /nfs/dbraw/zinc/96/29/49/924962949.db2.gz QTBZQBUMPFOXRC-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(=O)NC)C2)n1 ZINC001402284341 924962954 /nfs/dbraw/zinc/96/29/54/924962954.db2.gz QTBZQBUMPFOXRC-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001402279346 924962974 /nfs/dbraw/zinc/96/29/74/924962974.db2.gz IIXLNXYJLGXDHK-LLVKDONJSA-N 1 1 324.403 -2.760 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1)NC1CC1 ZINC001402282998 924963265 /nfs/dbraw/zinc/96/32/65/924963265.db2.gz WAHZJCUQBWNRJC-DOMZBBRYSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1)NC1CC1 ZINC001402282998 924963269 /nfs/dbraw/zinc/96/32/69/924963269.db2.gz WAHZJCUQBWNRJC-DOMZBBRYSA-N 1 1 311.382 -1.003 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(=O)NC)C2)n1 ZINC001402284355 924963338 /nfs/dbraw/zinc/96/33/38/924963338.db2.gz QTBZQBUMPFOXRC-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(=O)NC)C2)n1 ZINC001402284355 924963341 /nfs/dbraw/zinc/96/33/41/924963341.db2.gz QTBZQBUMPFOXRC-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001402280223 924963409 /nfs/dbraw/zinc/96/34/09/924963409.db2.gz TVIQEDHJFRRSLJ-SMDDNHRTSA-N 1 1 316.354 -1.565 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402278699 924963498 /nfs/dbraw/zinc/96/34/98/924963498.db2.gz ROFWMRFWKVHWRC-NQUGEPOWSA-N 1 1 311.382 -1.304 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001402283346 924963800 /nfs/dbraw/zinc/96/38/00/924963800.db2.gz LUDFJMBDVIZQBN-AWEZNQCLSA-N 1 1 322.369 -1.442 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001402283346 924963808 /nfs/dbraw/zinc/96/38/08/924963808.db2.gz LUDFJMBDVIZQBN-AWEZNQCLSA-N 1 1 322.369 -1.442 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402280568 924963955 /nfs/dbraw/zinc/96/39/55/924963955.db2.gz BSOVNGLGMCCQNR-ZETOZRRWSA-N 1 1 324.381 -2.107 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402280568 924963961 /nfs/dbraw/zinc/96/39/61/924963961.db2.gz BSOVNGLGMCCQNR-ZETOZRRWSA-N 1 1 324.381 -2.107 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001402282281 924964003 /nfs/dbraw/zinc/96/40/03/924964003.db2.gz QNUHKXAETFSPOG-FZMZJTMJSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001402282281 924964008 /nfs/dbraw/zinc/96/40/08/924964008.db2.gz QNUHKXAETFSPOG-FZMZJTMJSA-N 1 1 322.369 -1.647 20 0 DAADMO CN(C)C(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402288768 924965610 /nfs/dbraw/zinc/96/56/10/924965610.db2.gz LASWCYMOOVYKMG-SWLSCSKDSA-N 1 1 312.414 -1.421 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001402287476 924966110 /nfs/dbraw/zinc/96/61/10/924966110.db2.gz URHNQNLGRPMDAM-QMTHXVAHSA-N 1 1 322.369 -1.740 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001402291505 924966518 /nfs/dbraw/zinc/96/65/18/924966518.db2.gz XBUGFKKDKXSWFR-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402291505 924966524 /nfs/dbraw/zinc/96/65/24/924966524.db2.gz XBUGFKKDKXSWFR-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001402287247 924966680 /nfs/dbraw/zinc/96/66/80/924966680.db2.gz SVZYROPEZPPAFP-BZPMIXESSA-N 1 1 304.387 -1.436 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001402287887 924966822 /nfs/dbraw/zinc/96/68/22/924966822.db2.gz PVBGJTOGLIBSTQ-ZDUSSCGKSA-N 1 1 313.358 -3.544 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001402287887 924966830 /nfs/dbraw/zinc/96/68/30/924966830.db2.gz PVBGJTOGLIBSTQ-ZDUSSCGKSA-N 1 1 313.358 -3.544 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2noc3c2COCC3)C1 ZINC001402302734 924967560 /nfs/dbraw/zinc/96/75/60/924967560.db2.gz BYDVYLCBDMWZOW-CQSZACIVSA-N 1 1 324.337 -1.601 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2noc3c2COCC3)C1 ZINC001402302734 924967562 /nfs/dbraw/zinc/96/75/62/924967562.db2.gz BYDVYLCBDMWZOW-CQSZACIVSA-N 1 1 324.337 -1.601 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3cnon3)C2)C1 ZINC001402303598 924967597 /nfs/dbraw/zinc/96/75/97/924967597.db2.gz GKHBMCWYNPJAEF-LLVKDONJSA-N 1 1 311.342 -1.937 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3cnon3)C2)C1 ZINC001402303598 924967602 /nfs/dbraw/zinc/96/76/02/924967602.db2.gz GKHBMCWYNPJAEF-LLVKDONJSA-N 1 1 311.342 -1.937 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402297831 924968047 /nfs/dbraw/zinc/96/80/47/924968047.db2.gz XPSAVVVVJKHCHR-ABAIWWIYSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402297831 924968058 /nfs/dbraw/zinc/96/80/58/924968058.db2.gz XPSAVVVVJKHCHR-ABAIWWIYSA-N 1 1 323.397 -1.015 20 0 DAADMO CCn1cc(C[NH2+][C@@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001402297093 924968229 /nfs/dbraw/zinc/96/82/29/924968229.db2.gz ILAZHWQYWASNAN-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)no1 ZINC001402301613 924968973 /nfs/dbraw/zinc/96/89/73/924968973.db2.gz BQWNZMAEQXJUJL-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001402301613 924968981 /nfs/dbraw/zinc/96/89/81/924968981.db2.gz BQWNZMAEQXJUJL-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402297811 924969317 /nfs/dbraw/zinc/96/93/17/924969317.db2.gz XJOJWUUPIAZSLK-ZDUSSCGKSA-N 1 1 300.359 -3.037 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001402296310 924969380 /nfs/dbraw/zinc/96/93/80/924969380.db2.gz PFIKROSOURSAKY-FZMZJTMJSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2noc3c2COCC3)C1 ZINC001402302705 924969487 /nfs/dbraw/zinc/96/94/87/924969487.db2.gz BYDVYLCBDMWZOW-AWEZNQCLSA-N 1 1 324.337 -1.601 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2noc3c2COCC3)C1 ZINC001402302705 924969489 /nfs/dbraw/zinc/96/94/89/924969489.db2.gz BYDVYLCBDMWZOW-AWEZNQCLSA-N 1 1 324.337 -1.601 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]([NH2+]Cc2cnon2)C2CC2)c1=O ZINC001402307859 924969894 /nfs/dbraw/zinc/96/98/94/924969894.db2.gz CAYYQZOEWFLBKS-NSHDSACASA-N 1 1 321.341 -1.351 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001402309967 924970398 /nfs/dbraw/zinc/97/03/98/924970398.db2.gz WUSHONPJYVBFAK-ZDUSSCGKSA-N 1 1 310.358 -1.742 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001402309967 924970403 /nfs/dbraw/zinc/97/04/03/924970403.db2.gz WUSHONPJYVBFAK-ZDUSSCGKSA-N 1 1 310.358 -1.742 20 0 DAADMO Cn1cncc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402305417 924970815 /nfs/dbraw/zinc/97/08/15/924970815.db2.gz JFSXYAIMNKXSOO-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1cncc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402305417 924970820 /nfs/dbraw/zinc/97/08/20/924970820.db2.gz JFSXYAIMNKXSOO-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001402317164 924972117 /nfs/dbraw/zinc/97/21/17/924972117.db2.gz NTYWESYFEFERSF-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001402317164 924972128 /nfs/dbraw/zinc/97/21/28/924972128.db2.gz NTYWESYFEFERSF-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001402315539 924972543 /nfs/dbraw/zinc/97/25/43/924972543.db2.gz QEOSSYXNQQYOMB-MNOVXSKESA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001402317167 924972595 /nfs/dbraw/zinc/97/25/95/924972595.db2.gz NTYWESYFEFERSF-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001402317167 924972598 /nfs/dbraw/zinc/97/25/98/924972598.db2.gz NTYWESYFEFERSF-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402312069 924973836 /nfs/dbraw/zinc/97/38/36/924973836.db2.gz ZFYHZNGZENXRLX-RYUDHWBXSA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402312069 924973845 /nfs/dbraw/zinc/97/38/45/924973845.db2.gz ZFYHZNGZENXRLX-RYUDHWBXSA-N 1 1 317.386 -2.513 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402324744 924974397 /nfs/dbraw/zinc/97/43/97/924974397.db2.gz ZHFYAHYXKOAQQK-CQSZACIVSA-N 1 1 320.353 -1.425 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402324744 924974407 /nfs/dbraw/zinc/97/44/07/924974407.db2.gz ZHFYAHYXKOAQQK-CQSZACIVSA-N 1 1 320.353 -1.425 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402324371 924974761 /nfs/dbraw/zinc/97/47/61/924974761.db2.gz RQIHXJVDWKSKPB-WDEREUQCSA-N 1 1 323.401 -1.472 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)n1cccn1 ZINC001402321669 924975251 /nfs/dbraw/zinc/97/52/51/924975251.db2.gz UKAMFNQKQPQBMQ-RISCZKNCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)n1cccn1 ZINC001402321669 924975259 /nfs/dbraw/zinc/97/52/59/924975259.db2.gz UKAMFNQKQPQBMQ-RISCZKNCSA-N 1 1 309.370 -1.128 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001402323054 924975552 /nfs/dbraw/zinc/97/55/52/924975552.db2.gz BETAIODWHRYFGT-SECBINFHSA-N 1 1 320.357 -1.053 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001402329645 924976274 /nfs/dbraw/zinc/97/62/74/924976274.db2.gz HGADQBSEMJNPQW-UHFFFAOYSA-N 1 1 321.381 -1.263 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1COC(=O)N1 ZINC001402327960 924976692 /nfs/dbraw/zinc/97/66/92/924976692.db2.gz VIGGWCPJPCFEIB-QWRGUYRKSA-N 1 1 313.354 -1.316 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@H]1COC(=O)N1 ZINC001402327967 924976748 /nfs/dbraw/zinc/97/67/48/924976748.db2.gz VIGGWCPJPCFEIB-WDEREUQCSA-N 1 1 313.354 -1.316 20 0 DAADMO C[C@H](CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1)NC(N)=O ZINC001402334447 924977676 /nfs/dbraw/zinc/97/76/76/924977676.db2.gz JVUIFOLIUHFALU-GHMZBOCLSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402334205 924978847 /nfs/dbraw/zinc/97/88/47/924978847.db2.gz IUNOEMDXINCMAO-LBPRGKRZSA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]([NH2+]Cc2ncnn2C)C2CC2)NC1=O ZINC001402339842 924981469 /nfs/dbraw/zinc/98/14/69/924981469.db2.gz WIIVKBKWWXARFO-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO Cc1nnc(CC(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)[nH]1 ZINC001402339577 924981748 /nfs/dbraw/zinc/98/17/48/924981748.db2.gz OBFWPLVLOJWEBU-LLVKDONJSA-N 1 1 309.370 -1.145 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001402347861 924983393 /nfs/dbraw/zinc/98/33/93/924983393.db2.gz DFAATBFFVYRPLC-LLVKDONJSA-N 1 1 307.354 -1.757 20 0 DAADMO CO[C@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001402345122 924983405 /nfs/dbraw/zinc/98/34/05/924983405.db2.gz YSEGZNLOOUCJMN-GFCCVEGCSA-N 1 1 324.385 -1.349 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001402347251 924983686 /nfs/dbraw/zinc/98/36/86/924983686.db2.gz MGYPBYAFNRXGKQ-GFCCVEGCSA-N 1 1 312.414 -1.243 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCCNC2=O)C1 ZINC001402349995 924985381 /nfs/dbraw/zinc/98/53/81/924985381.db2.gz RDODNBCIJDLFDX-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001402355746 924985817 /nfs/dbraw/zinc/98/58/17/924985817.db2.gz NLQBNGOHPSYMDE-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001402355740 924986598 /nfs/dbraw/zinc/98/65/98/924986598.db2.gz NLQBNGOHPSYMDE-NEPJUHHUSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001402357055 924986879 /nfs/dbraw/zinc/98/68/79/924986879.db2.gz TZIVHKXIVAWOEX-UHFFFAOYSA-N 1 1 310.398 -1.619 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001402360554 924988206 /nfs/dbraw/zinc/98/82/06/924988206.db2.gz ZZUWJXYOAOBERN-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)CCNC(N)=O)C2CC2)nn1 ZINC001402366525 924989694 /nfs/dbraw/zinc/98/96/94/924989694.db2.gz COSYMPBOBHJRIW-NSHDSACASA-N 1 1 309.374 -1.142 20 0 DAADMO Cn1[nH]c(CN2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001402380865 924991070 /nfs/dbraw/zinc/99/10/70/924991070.db2.gz GQQZPOZWXMQJRA-JTQLQIEISA-N 1 1 324.385 -2.277 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001402377852 924991215 /nfs/dbraw/zinc/99/12/15/924991215.db2.gz KIZXIYIYFFGSBK-UHFFFAOYSA-N 1 1 324.385 -1.414 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001402411848 924994064 /nfs/dbraw/zinc/99/40/64/924994064.db2.gz FFADFASNWANZPB-TUAOUCFPSA-N 1 1 310.358 -1.929 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ncnn1)C2 ZINC001402428312 924994370 /nfs/dbraw/zinc/99/43/70/924994370.db2.gz XDGNIISKGGPVBJ-YFKTTZPYSA-N 1 1 321.385 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001402427121 924994764 /nfs/dbraw/zinc/99/47/64/924994764.db2.gz ZNGZYTIQWXEYJZ-AOOOYVTPSA-N 1 1 320.353 -1.463 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)n1 ZINC001402419208 924994896 /nfs/dbraw/zinc/99/48/96/924994896.db2.gz DEQIEBRLICFAAG-PHIMTYICSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)n1 ZINC001402419208 924994902 /nfs/dbraw/zinc/99/49/02/924994902.db2.gz DEQIEBRLICFAAG-PHIMTYICSA-N 1 1 321.385 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ncnn1)C2 ZINC001402428309 924995328 /nfs/dbraw/zinc/99/53/28/924995328.db2.gz XDGNIISKGGPVBJ-WISYIIOYSA-N 1 1 321.385 -1.094 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001402436368 924996033 /nfs/dbraw/zinc/99/60/33/924996033.db2.gz MMFUDRBSTFJKHB-WHOHXGKFSA-N 1 1 312.370 -1.935 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001402438749 924996055 /nfs/dbraw/zinc/99/60/55/924996055.db2.gz KCFQGTNXQQKZAH-TUAOUCFPSA-N 1 1 310.358 -1.929 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001402436374 924997393 /nfs/dbraw/zinc/99/73/93/924997393.db2.gz MMFUDRBSTFJKHB-WRWGMCAJSA-N 1 1 312.370 -1.935 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402455277 924998432 /nfs/dbraw/zinc/99/84/32/924998432.db2.gz GIONZAZYVVFAKJ-LLVKDONJSA-N 1 1 324.403 -3.024 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)CC1=O ZINC001402452148 924998566 /nfs/dbraw/zinc/99/85/66/924998566.db2.gz OYJIPDBZCDDEFW-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001402455136 924999150 /nfs/dbraw/zinc/99/91/50/924999150.db2.gz UGIHJZGOUNZZHG-SMDDNHRTSA-N 1 1 316.402 -1.371 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402458678 924999223 /nfs/dbraw/zinc/99/92/23/924999223.db2.gz WIATYAUOOFSNMH-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)CC1=O ZINC001402452142 924999349 /nfs/dbraw/zinc/99/93/49/924999349.db2.gz OYJIPDBZCDDEFW-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001402457893 924999715 /nfs/dbraw/zinc/99/97/15/924999715.db2.gz DIXYXNWYUJQGSW-MFKMUULPSA-N 1 1 312.374 -1.198 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001402463820 925001136 /nfs/dbraw/zinc/00/11/36/925001136.db2.gz TXYOHZQSSMDZMK-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001402469774 925002425 /nfs/dbraw/zinc/00/24/25/925002425.db2.gz IVUJCKTZDSESOK-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCO ZINC001402473676 925002681 /nfs/dbraw/zinc/00/26/81/925002681.db2.gz KNLSBASEGBCFJL-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC(C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)=NC1=O ZINC001402480379 925004010 /nfs/dbraw/zinc/00/40/10/925004010.db2.gz OTRCFBMFKZIUJI-VIFPVBQESA-N 1 1 311.342 -1.962 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001402498879 925006443 /nfs/dbraw/zinc/00/64/43/925006443.db2.gz VONLGQCWRPQXKN-QJPTWQEYSA-N 1 1 323.397 -1.131 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001402498879 925006451 /nfs/dbraw/zinc/00/64/51/925006451.db2.gz VONLGQCWRPQXKN-QJPTWQEYSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001402518980 925007651 /nfs/dbraw/zinc/00/76/51/925007651.db2.gz RTKGPUKVUYJZSO-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001402518980 925007659 /nfs/dbraw/zinc/00/76/59/925007659.db2.gz RTKGPUKVUYJZSO-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001402522092 925008111 /nfs/dbraw/zinc/00/81/11/925008111.db2.gz YBZRABLRTPJQHP-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCCOC1 ZINC001402522092 925008120 /nfs/dbraw/zinc/00/81/20/925008120.db2.gz YBZRABLRTPJQHP-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001402525399 925009237 /nfs/dbraw/zinc/00/92/37/925009237.db2.gz XXGROQDTBCPUPP-CIUDSAMLSA-N 1 1 317.371 -1.256 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cc[nH]n1)c1nnnn1C ZINC001402543236 925010847 /nfs/dbraw/zinc/01/08/47/925010847.db2.gz LFDCWTIESFSEKL-SECBINFHSA-N 1 1 308.346 -1.282 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)C[C@H]2CCNC2=O)CCC1 ZINC001402558078 925011258 /nfs/dbraw/zinc/01/12/58/925011258.db2.gz KJKALSFDEOITSX-SNVBAGLBSA-N 1 1 321.385 -1.135 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2cn(C)nn2)CCC1 ZINC001402556095 925011326 /nfs/dbraw/zinc/01/13/26/925011326.db2.gz ALMXMMOUDXMMDT-UHFFFAOYSA-N 1 1 309.374 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCOCC1=O ZINC001402631945 925019376 /nfs/dbraw/zinc/01/93/76/925019376.db2.gz NCSZNFHXLPPVKR-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001402633508 925019449 /nfs/dbraw/zinc/01/94/49/925019449.db2.gz QPBWGAKUNJIXIG-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402665021 925019473 /nfs/dbraw/zinc/01/94/73/925019473.db2.gz RWYOYHOAMZLJER-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001402649660 925019877 /nfs/dbraw/zinc/01/98/77/925019877.db2.gz QDSOPJXWVJXJMS-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001402649054 925020419 /nfs/dbraw/zinc/02/04/19/925020419.db2.gz NFYGPJHRFHFZCB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402650037 925020511 /nfs/dbraw/zinc/02/05/11/925020511.db2.gz AHQPRVALMRAJEG-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402665034 925021986 /nfs/dbraw/zinc/02/19/86/925021986.db2.gz RWYOYHOAMZLJER-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001402723640 925024789 /nfs/dbraw/zinc/02/47/89/925024789.db2.gz CSDFAFROFZCVSY-CYBMUJFWSA-N 1 1 310.358 -1.503 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001402728150 925025913 /nfs/dbraw/zinc/02/59/13/925025913.db2.gz QOPUFVDOUAKVTC-AWEZNQCLSA-N 1 1 324.385 -1.308 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 ZINC001402787448 925028534 /nfs/dbraw/zinc/02/85/34/925028534.db2.gz OPZSFZCAENAVHN-UHFFFAOYSA-N 1 1 324.425 -1.013 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001402781133 925028642 /nfs/dbraw/zinc/02/86/42/925028642.db2.gz IJRPXLSEAUJVAK-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789204 925028800 /nfs/dbraw/zinc/02/88/00/925028800.db2.gz BVFQDWHPRFLGHD-DSPMHBFJSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789204 925028810 /nfs/dbraw/zinc/02/88/10/925028810.db2.gz BVFQDWHPRFLGHD-DSPMHBFJSA-N 1 1 310.354 -1.347 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001402781128 925029173 /nfs/dbraw/zinc/02/91/73/925029173.db2.gz IJRPXLSEAUJVAK-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789208 925029733 /nfs/dbraw/zinc/02/97/33/925029733.db2.gz BVFQDWHPRFLGHD-GPTQDWHKSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789208 925029743 /nfs/dbraw/zinc/02/97/43/925029743.db2.gz BVFQDWHPRFLGHD-GPTQDWHKSA-N 1 1 310.354 -1.347 20 0 DAADMO O=C(Cn1cncn1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001402803296 925030583 /nfs/dbraw/zinc/03/05/83/925030583.db2.gz GBXUVLJOMORKOR-UHFFFAOYSA-N 1 1 321.341 -1.196 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001402815410 925030620 /nfs/dbraw/zinc/03/06/20/925030620.db2.gz UPBLFPFITCOXRX-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001402815410 925030628 /nfs/dbraw/zinc/03/06/28/925030628.db2.gz UPBLFPFITCOXRX-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001402796251 925030943 /nfs/dbraw/zinc/03/09/43/925030943.db2.gz MXGMNFSLSAPKKI-SECBINFHSA-N 1 1 310.358 -1.456 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@H](C)C1 ZINC001402798971 925031006 /nfs/dbraw/zinc/03/10/06/925031006.db2.gz DVYULJLIHKHJQF-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@H](C)C1 ZINC001402798971 925031015 /nfs/dbraw/zinc/03/10/15/925031015.db2.gz DVYULJLIHKHJQF-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H](C)C1 ZINC001402798991 925031287 /nfs/dbraw/zinc/03/12/87/925031287.db2.gz DVYULJLIHKHJQF-VLLVSFFDSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H](C)C1 ZINC001402798991 925031295 /nfs/dbraw/zinc/03/12/95/925031295.db2.gz DVYULJLIHKHJQF-VLLVSFFDSA-N 1 1 324.381 -1.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001402796256 925031640 /nfs/dbraw/zinc/03/16/40/925031640.db2.gz MXGMNFSLSAPKKI-VIFPVBQESA-N 1 1 310.358 -1.456 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001402800830 925031962 /nfs/dbraw/zinc/03/19/62/925031962.db2.gz JEIBGMJQIKJFGD-RXKWGBCNSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001402800830 925031971 /nfs/dbraw/zinc/03/19/71/925031971.db2.gz JEIBGMJQIKJFGD-RXKWGBCNSA-N 1 1 318.399 -2.156 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001402801605 925032069 /nfs/dbraw/zinc/03/20/69/925032069.db2.gz FDPUKXMVRGUQNV-UHFFFAOYSA-N 1 1 307.314 -1.055 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001402811246 925032315 /nfs/dbraw/zinc/03/23/15/925032315.db2.gz ONAYRINCOBFWBE-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCO ZINC001402815945 925032514 /nfs/dbraw/zinc/03/25/14/925032514.db2.gz FGSDEVRVWDKHNI-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CNC(=O)OC)CC1 ZINC001402855627 925034487 /nfs/dbraw/zinc/03/44/87/925034487.db2.gz AQROWIFUOMZIAM-UHFFFAOYSA-N 1 1 316.358 -1.969 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001402862597 925036662 /nfs/dbraw/zinc/03/66/62/925036662.db2.gz ONOMUIWXXRQCSQ-GHMZBOCLSA-N 1 1 301.387 -1.180 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001402882770 925037987 /nfs/dbraw/zinc/03/79/87/925037987.db2.gz QRARMNNVAGFEBO-XQHKEYJVSA-N 1 1 323.393 -1.290 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402896250 925038841 /nfs/dbraw/zinc/03/88/41/925038841.db2.gz OXWDKNMFAUMAKP-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001402890307 925038882 /nfs/dbraw/zinc/03/88/82/925038882.db2.gz HWBJRSMCRDDWRX-JTQLQIEISA-N 1 1 317.415 -1.046 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1CCF ZINC001402887715 925039126 /nfs/dbraw/zinc/03/91/26/925039126.db2.gz FKYKSKOUTIJINF-SECBINFHSA-N 1 1 315.353 -1.229 20 0 DAADMO CNC(=O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001402894660 925039206 /nfs/dbraw/zinc/03/92/06/925039206.db2.gz RHZAYTICYPPPDJ-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001402882769 925039381 /nfs/dbraw/zinc/03/93/81/925039381.db2.gz QRARMNNVAGFEBO-QNWHQSFQSA-N 1 1 323.393 -1.290 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001402902242 925040111 /nfs/dbraw/zinc/04/01/11/925040111.db2.gz AGQOANJEJHFUJH-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001402907855 925040715 /nfs/dbraw/zinc/04/07/15/925040715.db2.gz NQPZEUWLGZYFKD-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1nnnn1C ZINC001402926575 925041042 /nfs/dbraw/zinc/04/10/42/925041042.db2.gz WCTNPKXTYLEHEM-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001402902260 925041147 /nfs/dbraw/zinc/04/11/47/925041147.db2.gz AGQOANJEJHFUJH-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncccn1 ZINC001402904650 925041292 /nfs/dbraw/zinc/04/12/92/925041292.db2.gz JGFIVZAKDKMIEL-LLVKDONJSA-N 1 1 307.354 -1.070 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001402898670 925041714 /nfs/dbraw/zinc/04/17/14/925041714.db2.gz VVRKULSZIAPMCF-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CCn3ccnn3)C2)n1 ZINC001402943682 925042521 /nfs/dbraw/zinc/04/25/21/925042521.db2.gz OOJBEECFJBTKDU-UHFFFAOYSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001402933392 925042632 /nfs/dbraw/zinc/04/26/32/925042632.db2.gz NSKJTEZKYMFWTJ-MRVPVSSYSA-N 1 1 322.329 -2.233 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001402985697 925045364 /nfs/dbraw/zinc/04/53/64/925045364.db2.gz FTJWRIWEBJDRSL-WCBMZHEXSA-N 1 1 322.373 -1.374 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001402969958 925046023 /nfs/dbraw/zinc/04/60/23/925046023.db2.gz FWLUXVFUPCVFLQ-BDAKNGLRSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001403012418 925048022 /nfs/dbraw/zinc/04/80/22/925048022.db2.gz RKPFGDZWQJHRGH-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001403078003 925050194 /nfs/dbraw/zinc/05/01/94/925050194.db2.gz FJEUYOMLEJZGTD-SECBINFHSA-N 1 1 318.403 -1.667 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001403060194 925050463 /nfs/dbraw/zinc/05/04/63/925050463.db2.gz ZWPALTCPKZGAPW-YUMQZZPRSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403073785 925050768 /nfs/dbraw/zinc/05/07/68/925050768.db2.gz AOGXZJPTSZITNB-VIFPVBQESA-N 1 1 323.357 -2.600 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cncnc1 ZINC001403109660 925051294 /nfs/dbraw/zinc/05/12/94/925051294.db2.gz CBMOPROWJAFCSV-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncnc1 ZINC001403109660 925051302 /nfs/dbraw/zinc/05/13/02/925051302.db2.gz CBMOPROWJAFCSV-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)[N@H+](C)CC(=O)NC(N)=O ZINC001403110881 925051515 /nfs/dbraw/zinc/05/15/15/925051515.db2.gz XHHZLIBPVJQJLV-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001403110881 925051522 /nfs/dbraw/zinc/05/15/22/925051522.db2.gz XHHZLIBPVJQJLV-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111449 925051699 /nfs/dbraw/zinc/05/16/99/925051699.db2.gz ICUMXOYOEZLJIJ-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111449 925051711 /nfs/dbraw/zinc/05/17/11/925051711.db2.gz ICUMXOYOEZLJIJ-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001403083668 925051976 /nfs/dbraw/zinc/05/19/76/925051976.db2.gz ZGPQGWOQIANORE-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001403104603 925052351 /nfs/dbraw/zinc/05/23/51/925052351.db2.gz FRQASXGYCNQBJD-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncnn1C ZINC001403148000 925053648 /nfs/dbraw/zinc/05/36/48/925053648.db2.gz UJBOCWTXLFIEIV-IUCAKERBSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001403122952 925054410 /nfs/dbraw/zinc/05/44/10/925054410.db2.gz FEGDMCOLMYUFLS-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403122952 925054419 /nfs/dbraw/zinc/05/44/19/925054419.db2.gz FEGDMCOLMYUFLS-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001403141739 925054737 /nfs/dbraw/zinc/05/47/37/925054737.db2.gz LPTYCKMCLGZNDN-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)nn2c1 ZINC001403156291 925056403 /nfs/dbraw/zinc/05/64/03/925056403.db2.gz WQJUNYUQLDUAPL-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)nn2c1 ZINC001403156291 925056410 /nfs/dbraw/zinc/05/64/10/925056410.db2.gz WQJUNYUQLDUAPL-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001403165957 925056845 /nfs/dbraw/zinc/05/68/45/925056845.db2.gz AZDZOROLBQDOPI-NSHDSACASA-N 1 1 324.385 -1.092 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001403155423 925057488 /nfs/dbraw/zinc/05/74/88/925057488.db2.gz DRRYXWNSXGPMTE-VXGBXAGGSA-N 1 1 316.402 -2.138 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001403184666 925059094 /nfs/dbraw/zinc/05/90/94/925059094.db2.gz JPYLMGYKHXRRLZ-UWVGGRQHSA-N 1 1 310.420 -1.800 20 0 DAADMO COc1cncc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001403191097 925059171 /nfs/dbraw/zinc/05/91/71/925059171.db2.gz LPWHPEOFJODLGO-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cncc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001403191097 925059181 /nfs/dbraw/zinc/05/91/81/925059181.db2.gz LPWHPEOFJODLGO-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196745 925059721 /nfs/dbraw/zinc/05/97/21/925059721.db2.gz XMXRVOQGSCVPBU-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196745 925059731 /nfs/dbraw/zinc/05/97/31/925059731.db2.gz XMXRVOQGSCVPBU-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C[C@H]2CCOC2)nn1)[N@H+](C)CC(N)=O ZINC001403196129 925059749 /nfs/dbraw/zinc/05/97/49/925059749.db2.gz KINUBDYPGTUXNP-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C[C@H]2CCOC2)nn1)[N@@H+](C)CC(N)=O ZINC001403196129 925059759 /nfs/dbraw/zinc/05/97/59/925059759.db2.gz KINUBDYPGTUXNP-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)CCN1CCNC1=O ZINC001403182788 925059934 /nfs/dbraw/zinc/05/99/34/925059934.db2.gz DHZGPVJPNIDVMI-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001403184641 925060108 /nfs/dbraw/zinc/06/01/08/925060108.db2.gz JPYLMGYKHXRRLZ-NXEZZACHSA-N 1 1 310.420 -1.800 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@@H+](C)CCN1CCNC1=O ZINC001403182792 925060389 /nfs/dbraw/zinc/06/03/89/925060389.db2.gz DHZGPVJPNIDVMI-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001403208710 925061135 /nfs/dbraw/zinc/06/11/35/925061135.db2.gz JIUQHXHUBNBEQA-QMMMGPOBSA-N 1 1 318.359 -2.186 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001403206016 925061451 /nfs/dbraw/zinc/06/14/51/925061451.db2.gz WVDMYROMIXIJGY-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001403206016 925061461 /nfs/dbraw/zinc/06/14/61/925061461.db2.gz WVDMYROMIXIJGY-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001403206522 925061639 /nfs/dbraw/zinc/06/16/39/925061639.db2.gz SPNBGOHJSUCGAB-ZJUUUORDSA-N 1 1 319.369 -1.023 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403206522 925061646 /nfs/dbraw/zinc/06/16/46/925061646.db2.gz SPNBGOHJSUCGAB-ZJUUUORDSA-N 1 1 319.369 -1.023 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](C[C@@H]3CCCOC3)C2)n1 ZINC001403240156 925066168 /nfs/dbraw/zinc/06/61/68/925066168.db2.gz QTQVPPAJDVHQKG-NSHDSACASA-N 1 1 324.385 -1.197 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001403241564 925066185 /nfs/dbraw/zinc/06/61/85/925066185.db2.gz YZAUWDFYMQZWNX-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(Cc1nc[nH]n1)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001403240512 925066284 /nfs/dbraw/zinc/06/62/84/925066284.db2.gz WJDQPWWGGUHTFF-NSHDSACASA-N 1 1 309.370 -1.063 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001403250849 925066534 /nfs/dbraw/zinc/06/65/34/925066534.db2.gz AFKCDRYRVXMQPH-LBPRGKRZSA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001403244339 925066688 /nfs/dbraw/zinc/06/66/88/925066688.db2.gz OAJDCXZEWVDFCL-NEPJUHHUSA-N 1 1 313.398 -1.021 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](C[C@H]3CCCOC3)C2)n1 ZINC001403240152 925066826 /nfs/dbraw/zinc/06/68/26/925066826.db2.gz QTQVPPAJDVHQKG-LLVKDONJSA-N 1 1 324.385 -1.197 20 0 DAADMO NC(=O)CN1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001403238510 925066940 /nfs/dbraw/zinc/06/69/40/925066940.db2.gz DFPVBHCUWLZYBM-UHFFFAOYSA-N 1 1 314.386 -2.253 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001403250838 925067399 /nfs/dbraw/zinc/06/73/99/925067399.db2.gz AFKCDRYRVXMQPH-GFCCVEGCSA-N 1 1 312.414 -1.101 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001403328123 925069611 /nfs/dbraw/zinc/06/96/11/925069611.db2.gz RWRSCMWIFAUZBH-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001403328123 925069622 /nfs/dbraw/zinc/06/96/22/925069622.db2.gz RWRSCMWIFAUZBH-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001403323695 925070322 /nfs/dbraw/zinc/07/03/22/925070322.db2.gz FPSFVNBEEKYVFO-VIFPVBQESA-N 1 1 311.386 -1.240 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001403316377 925070564 /nfs/dbraw/zinc/07/05/64/925070564.db2.gz BVXVCUCOVOILBT-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001403321610 925071277 /nfs/dbraw/zinc/07/12/77/925071277.db2.gz JXRKLJIRQASAST-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001403321610 925071286 /nfs/dbraw/zinc/07/12/86/925071286.db2.gz JXRKLJIRQASAST-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[C@H](CC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2)NC(N)=O ZINC001403358414 925072248 /nfs/dbraw/zinc/07/22/48/925072248.db2.gz YPPNTDZERKKGCQ-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](CC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2)NC(N)=O ZINC001403358414 925072257 /nfs/dbraw/zinc/07/22/57/925072257.db2.gz YPPNTDZERKKGCQ-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(C[C@@H](C)O)C2)C1 ZINC001403346953 925073345 /nfs/dbraw/zinc/07/33/45/925073345.db2.gz VYKIDKXPEHWYGB-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(C[C@@H](C)O)C2)C1 ZINC001403346953 925073352 /nfs/dbraw/zinc/07/33/52/925073352.db2.gz VYKIDKXPEHWYGB-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001403380931 925073565 /nfs/dbraw/zinc/07/35/65/925073565.db2.gz DHPSFCDLLMAZMO-RTCCRHLQSA-N 1 1 321.385 -1.404 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC001403364904 925074071 /nfs/dbraw/zinc/07/40/71/925074071.db2.gz NURGHZSEULXDBN-UWVGGRQHSA-N 1 1 312.374 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001403374399 925074184 /nfs/dbraw/zinc/07/41/84/925074184.db2.gz FUVVMYWFLOFLNG-LPWJVIDDSA-N 1 1 310.398 -1.514 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)n1 ZINC001403381188 925074508 /nfs/dbraw/zinc/07/45/08/925074508.db2.gz PYWCMUQQDWXOBE-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)n1 ZINC001403381188 925074519 /nfs/dbraw/zinc/07/45/19/925074519.db2.gz PYWCMUQQDWXOBE-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC001403375485 925074904 /nfs/dbraw/zinc/07/49/04/925074904.db2.gz LGDFIJFBEYOPDH-YFKTTZPYSA-N 1 1 318.381 -1.162 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC001403375485 925074910 /nfs/dbraw/zinc/07/49/10/925074910.db2.gz LGDFIJFBEYOPDH-YFKTTZPYSA-N 1 1 318.381 -1.162 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC001403375485 925074917 /nfs/dbraw/zinc/07/49/17/925074917.db2.gz LGDFIJFBEYOPDH-YFKTTZPYSA-N 1 1 318.381 -1.162 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001403359686 925074932 /nfs/dbraw/zinc/07/49/32/925074932.db2.gz MDSUFVGRTAPWRU-ZDUSSCGKSA-N 1 1 300.359 -1.660 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403359686 925074940 /nfs/dbraw/zinc/07/49/40/925074940.db2.gz MDSUFVGRTAPWRU-ZDUSSCGKSA-N 1 1 300.359 -1.660 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC001403375230 925074958 /nfs/dbraw/zinc/07/49/58/925074958.db2.gz AJAOWFHWUIICJI-XYYAHUGASA-N 1 1 310.398 -1.059 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001403402272 925075732 /nfs/dbraw/zinc/07/57/32/925075732.db2.gz FILMSTGXDXRHFS-XYYAHUGASA-N 1 1 318.381 -1.149 20 0 DAADMO Cc1noc(C[NH2+][C@@H](C)CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001403402736 925076113 /nfs/dbraw/zinc/07/61/13/925076113.db2.gz FPWGGCPOCMPZER-JTQLQIEISA-N 1 1 324.385 -1.206 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@@H]2C1 ZINC001403428639 925077073 /nfs/dbraw/zinc/07/70/73/925077073.db2.gz RSYHEWSVCNIYIF-CNDDSTCGSA-N 1 1 310.398 -1.059 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001403495112 925078290 /nfs/dbraw/zinc/07/82/90/925078290.db2.gz VZAHVQVWNAUGDQ-LLVKDONJSA-N 1 1 305.400 -1.395 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001403495112 925078300 /nfs/dbraw/zinc/07/83/00/925078300.db2.gz VZAHVQVWNAUGDQ-LLVKDONJSA-N 1 1 305.400 -1.395 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC001403468300 925078717 /nfs/dbraw/zinc/07/87/17/925078717.db2.gz HVYUEEBXNAEWFQ-SNVBAGLBSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC001403492234 925078855 /nfs/dbraw/zinc/07/88/55/925078855.db2.gz HOVBVVMQHZWLRP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC001403492234 925078863 /nfs/dbraw/zinc/07/88/63/925078863.db2.gz HOVBVVMQHZWLRP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403489477 925079865 /nfs/dbraw/zinc/07/98/65/925079865.db2.gz MPHWMZQTPOFLNF-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001403505378 925081125 /nfs/dbraw/zinc/08/11/25/925081125.db2.gz CAOOIXPEVDYUTH-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001403505378 925081126 /nfs/dbraw/zinc/08/11/26/925081126.db2.gz CAOOIXPEVDYUTH-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498771 925081147 /nfs/dbraw/zinc/08/11/47/925081147.db2.gz ZXBGOTICYDFCHI-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001403505377 925081368 /nfs/dbraw/zinc/08/13/68/925081368.db2.gz CAOOIXPEVDYUTH-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001403505377 925081378 /nfs/dbraw/zinc/08/13/78/925081378.db2.gz CAOOIXPEVDYUTH-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001403529746 925081408 /nfs/dbraw/zinc/08/14/08/925081408.db2.gz HTLKSSYGARWFIC-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001403529746 925081419 /nfs/dbraw/zinc/08/14/19/925081419.db2.gz HTLKSSYGARWFIC-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)nn1 ZINC001403559098 925083172 /nfs/dbraw/zinc/08/31/72/925083172.db2.gz KHFAOJNOBUYZRT-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)nn1 ZINC001403559098 925083184 /nfs/dbraw/zinc/08/31/84/925083184.db2.gz KHFAOJNOBUYZRT-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001403564493 925083796 /nfs/dbraw/zinc/08/37/96/925083796.db2.gz MAVOJTOVEFIUEG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403564493 925083803 /nfs/dbraw/zinc/08/38/03/925083803.db2.gz MAVOJTOVEFIUEG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001403551692 925084171 /nfs/dbraw/zinc/08/41/71/925084171.db2.gz XHEVTYSHENXXAG-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001403551692 925084182 /nfs/dbraw/zinc/08/41/82/925084182.db2.gz XHEVTYSHENXXAG-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1cncn1 ZINC001403540420 925084296 /nfs/dbraw/zinc/08/42/96/925084296.db2.gz PZWFFESTXUXKCM-JTQLQIEISA-N 1 1 318.403 -1.564 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1cncn1 ZINC001403540420 925084304 /nfs/dbraw/zinc/08/43/04/925084304.db2.gz PZWFFESTXUXKCM-JTQLQIEISA-N 1 1 318.403 -1.564 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2n[nH]nc2n1)[C@H]1CCNC1=O ZINC001403583005 925085612 /nfs/dbraw/zinc/08/56/12/925085612.db2.gz MISAJWVWZRQTMI-JTQLQIEISA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2n[nH]nc2n1)[C@H]1CCNC1=O ZINC001403583005 925085628 /nfs/dbraw/zinc/08/56/28/925085628.db2.gz MISAJWVWZRQTMI-JTQLQIEISA-N 1 1 303.326 -1.097 20 0 DAADMO Cn1ccc(CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001403565607 925086741 /nfs/dbraw/zinc/08/67/41/925086741.db2.gz PYOFTMKNUWIWSB-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO Cn1ccc(CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001403565607 925086751 /nfs/dbraw/zinc/08/67/51/925086751.db2.gz PYOFTMKNUWIWSB-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001403596501 925088010 /nfs/dbraw/zinc/08/80/10/925088010.db2.gz VCCKQCYWZNFIEV-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001403600360 925088138 /nfs/dbraw/zinc/08/81/38/925088138.db2.gz ZSSKORCUYDGBFU-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001403618138 925088177 /nfs/dbraw/zinc/08/81/77/925088177.db2.gz PISICMFMJXCOGM-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001403618138 925088183 /nfs/dbraw/zinc/08/81/83/925088183.db2.gz PISICMFMJXCOGM-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC001403619780 925088366 /nfs/dbraw/zinc/08/83/66/925088366.db2.gz REHFHAXJGROHJI-VIFPVBQESA-N 1 1 309.326 -2.115 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC001403619780 925088372 /nfs/dbraw/zinc/08/83/72/925088372.db2.gz REHFHAXJGROHJI-VIFPVBQESA-N 1 1 309.326 -2.115 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCNC(=O)CC1)CC(=O)NC(N)=O ZINC001403643454 925093035 /nfs/dbraw/zinc/09/30/35/925093035.db2.gz QSRBJJGTEJVSAJ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)CC1)CC(=O)NC(N)=O ZINC001403643454 925093047 /nfs/dbraw/zinc/09/30/47/925093047.db2.gz QSRBJJGTEJVSAJ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCCN(C)C2=O)n[nH]1 ZINC001403646164 925093463 /nfs/dbraw/zinc/09/34/63/925093463.db2.gz AHNOUFOEOWSIKK-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001403645823 925094815 /nfs/dbraw/zinc/09/48/15/925094815.db2.gz KMQBQMHSEXOJHB-LLVKDONJSA-N 1 1 301.368 -1.307 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)c1C ZINC001403648081 925095602 /nfs/dbraw/zinc/09/56/02/925095602.db2.gz VLAWYAVOUAYTMY-JTQLQIEISA-N 1 1 309.370 -1.067 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)c1C ZINC001403648081 925095610 /nfs/dbraw/zinc/09/56/10/925095610.db2.gz VLAWYAVOUAYTMY-JTQLQIEISA-N 1 1 309.370 -1.067 20 0 DAADMO CCn1cc(CN[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001403651093 925098685 /nfs/dbraw/zinc/09/86/85/925098685.db2.gz NAVLHIIJKPVXHB-STQMWFEESA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001403652060 925098783 /nfs/dbraw/zinc/09/87/83/925098783.db2.gz GSHQGAPHASEOEE-NSHDSACASA-N 1 1 307.358 -1.239 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnns1)n1cncn1 ZINC001403653212 925099006 /nfs/dbraw/zinc/09/90/06/925099006.db2.gz JIGXKOGADXMLBI-RKDXNWHRSA-N 1 1 311.371 -1.043 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001403651357 925099246 /nfs/dbraw/zinc/09/92/46/925099246.db2.gz QRRQRKSAMJYMJL-VIFPVBQESA-N 1 1 313.383 -1.273 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001403650858 925099410 /nfs/dbraw/zinc/09/94/10/925099410.db2.gz LRZUCQQEVBGXRS-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)cn1)[C@@H]1COC(=O)N1 ZINC001403656481 925100276 /nfs/dbraw/zinc/10/02/76/925100276.db2.gz CQHRCTUJPUFEAZ-MNOVXSKESA-N 1 1 312.301 -1.104 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)[C@H]2CCCN(C)C2=O)NC1=O ZINC001403659255 925102378 /nfs/dbraw/zinc/10/23/78/925102378.db2.gz MMGRBKYCYKJVSK-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCCN(C)C2=O)NC1=O ZINC001403659255 925102383 /nfs/dbraw/zinc/10/23/83/925102383.db2.gz MMGRBKYCYKJVSK-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCCN(C)C2=O)NC1=O ZINC001403659275 925103450 /nfs/dbraw/zinc/10/34/50/925103450.db2.gz MMGRBKYCYKJVSK-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)NC1=O ZINC001403659275 925103457 /nfs/dbraw/zinc/10/34/57/925103457.db2.gz MMGRBKYCYKJVSK-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001403661784 925105383 /nfs/dbraw/zinc/10/53/83/925105383.db2.gz UIAJPKVNVKGUQW-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001403667171 925106411 /nfs/dbraw/zinc/10/64/11/925106411.db2.gz JPEZALIIAQDMRZ-NSHDSACASA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cc3n(n2)CCO3)n1 ZINC001403664268 925106981 /nfs/dbraw/zinc/10/69/81/925106981.db2.gz HDWFUFCTBLNKNT-NSHDSACASA-N 1 1 320.353 -1.111 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001403668234 925108161 /nfs/dbraw/zinc/10/81/61/925108161.db2.gz LJAWPEWTOVVZCP-MNOVXSKESA-N 1 1 311.386 -1.099 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)ncn1 ZINC001403667495 925109240 /nfs/dbraw/zinc/10/92/40/925109240.db2.gz YAHOCVRAIZIEPN-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CC1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001403675597 925112152 /nfs/dbraw/zinc/11/21/52/925112152.db2.gz QEXPVIUTPJQGGO-SNVBAGLBSA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCNC2=O)nn1C ZINC001403682040 925113717 /nfs/dbraw/zinc/11/37/17/925113717.db2.gz WZSYHDFOKGORFG-YPMHNXCESA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001403678753 925113759 /nfs/dbraw/zinc/11/37/59/925113759.db2.gz KSLNAFPKYPAKFK-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001403684712 925116061 /nfs/dbraw/zinc/11/60/61/925116061.db2.gz QREWDQKSRFDQPB-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001403689696 925116187 /nfs/dbraw/zinc/11/61/87/925116187.db2.gz FLSJXIVAZZABMQ-BDAKNGLRSA-N 1 1 307.372 -2.494 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001403689698 925116445 /nfs/dbraw/zinc/11/64/45/925116445.db2.gz FLSJXIVAZZABMQ-IUCAKERBSA-N 1 1 307.372 -2.494 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)cn1 ZINC001403685802 925116559 /nfs/dbraw/zinc/11/65/59/925116559.db2.gz QPCHWTLNRMQCMX-GFCCVEGCSA-N 1 1 306.370 -1.037 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001403689697 925116663 /nfs/dbraw/zinc/11/66/63/925116663.db2.gz FLSJXIVAZZABMQ-DTWKUNHWSA-N 1 1 307.372 -2.494 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1c(C)noc1C ZINC001403684870 925117144 /nfs/dbraw/zinc/11/71/44/925117144.db2.gz UADPWIIKGRFVPT-JTQLQIEISA-N 1 1 313.358 -1.213 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)N[C@@H]2CCCNC2=O)CC1 ZINC001403693453 925117635 /nfs/dbraw/zinc/11/76/35/925117635.db2.gz BQQBGZBDNXRKED-CHWSQXEVSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)nn1C ZINC001403695293 925118019 /nfs/dbraw/zinc/11/80/19/925118019.db2.gz DYQLZPJWNLARBP-SNVBAGLBSA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)nn1C ZINC001403693327 925118864 /nfs/dbraw/zinc/11/88/64/925118864.db2.gz ABYWSSSBWWVSNP-NEPJUHHUSA-N 1 1 324.385 -1.681 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403694849 925119085 /nfs/dbraw/zinc/11/90/85/925119085.db2.gz CWZJZQHSPVYOBN-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)N[C@H]2CCCNC2=O)CC1 ZINC001403693465 925119175 /nfs/dbraw/zinc/11/91/75/925119175.db2.gz BQQBGZBDNXRKED-OLZOCXBDSA-N 1 1 312.414 -1.327 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403700535 925119908 /nfs/dbraw/zinc/11/99/08/925119908.db2.gz LCAXFEWTJSEDPS-VXGBXAGGSA-N 1 1 300.403 -1.328 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403702111 925120743 /nfs/dbraw/zinc/12/07/43/925120743.db2.gz HWRSULREQQUZBA-SECBINFHSA-N 1 1 321.341 -1.738 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403707930 925123962 /nfs/dbraw/zinc/12/39/62/925123962.db2.gz UTEQPFPAIDMVHZ-NXEZZACHSA-N 1 1 318.349 -2.240 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403707936 925124295 /nfs/dbraw/zinc/12/42/95/925124295.db2.gz UTEQPFPAIDMVHZ-VHSXEESVSA-N 1 1 318.349 -2.240 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403709080 925124692 /nfs/dbraw/zinc/12/46/92/925124692.db2.gz GWWMOSFXPMYFNA-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001403712678 925125724 /nfs/dbraw/zinc/12/57/24/925125724.db2.gz FJKZLIBKIKDANI-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001403712678 925125726 /nfs/dbraw/zinc/12/57/26/925125726.db2.gz FJKZLIBKIKDANI-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403711838 925125913 /nfs/dbraw/zinc/12/59/13/925125913.db2.gz YJSPKTDSTCQNNG-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403711838 925125920 /nfs/dbraw/zinc/12/59/20/925125920.db2.gz YJSPKTDSTCQNNG-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)nn1 ZINC001403711599 925126108 /nfs/dbraw/zinc/12/61/08/925126108.db2.gz BBRWTGZWCBGESA-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)nn1 ZINC001403711599 925126121 /nfs/dbraw/zinc/12/61/21/925126121.db2.gz BBRWTGZWCBGESA-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403712904 925126457 /nfs/dbraw/zinc/12/64/57/925126457.db2.gz CKPYANAVNGUDCH-SNVBAGLBSA-N 1 1 307.358 -1.344 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403714042 925127074 /nfs/dbraw/zinc/12/70/74/925127074.db2.gz VNWWAGZOBISVLD-LLVKDONJSA-N 1 1 300.403 -1.517 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)C[C@H]1CCc2ncnn21 ZINC001403718138 925127687 /nfs/dbraw/zinc/12/76/87/925127687.db2.gz SZLGLGKTYUMPFG-LLVKDONJSA-N 1 1 319.373 -1.110 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001403722846 925127737 /nfs/dbraw/zinc/12/77/37/925127737.db2.gz YRZPEYSOUBGBEJ-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001403722846 925127742 /nfs/dbraw/zinc/12/77/42/925127742.db2.gz YRZPEYSOUBGBEJ-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)ncn1 ZINC001403726304 925129920 /nfs/dbraw/zinc/12/99/20/925129920.db2.gz XSMBGYFESHGYPV-JOYOIKCWSA-N 1 1 309.370 -1.137 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1 ZINC001403724195 925130356 /nfs/dbraw/zinc/13/03/56/925130356.db2.gz KPSARUJXVFOHFV-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001403725450 925130670 /nfs/dbraw/zinc/13/06/70/925130670.db2.gz WJXPUOZSPXISGT-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001403725450 925130675 /nfs/dbraw/zinc/13/06/75/925130675.db2.gz WJXPUOZSPXISGT-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403727666 925130829 /nfs/dbraw/zinc/13/08/29/925130829.db2.gz BRADVLZFSKNJOU-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001403725910 925131387 /nfs/dbraw/zinc/13/13/87/925131387.db2.gz MZZMUSBVDSTZJZ-GHMZBOCLSA-N 1 1 305.342 -1.104 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403731934 925131818 /nfs/dbraw/zinc/13/18/18/925131818.db2.gz RCICLEMJHPQSHR-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403731934 925131831 /nfs/dbraw/zinc/13/18/31/925131831.db2.gz RCICLEMJHPQSHR-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O)cn1 ZINC001403728439 925132035 /nfs/dbraw/zinc/13/20/35/925132035.db2.gz ZNLSMXKTESNSRW-SKDRFNHKSA-N 1 1 309.370 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ccon2)C1 ZINC001403731273 925132345 /nfs/dbraw/zinc/13/23/45/925132345.db2.gz FNGUCASIEOXDDH-QWHCGFSZSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ccon2)C1 ZINC001403731273 925132348 /nfs/dbraw/zinc/13/23/48/925132348.db2.gz FNGUCASIEOXDDH-QWHCGFSZSA-N 1 1 312.370 -1.038 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C12CC[NH+](CC1)C2 ZINC001403732767 925133296 /nfs/dbraw/zinc/13/32/96/925133296.db2.gz WDMZAFDSKZBDRV-VIFPVBQESA-N 1 1 310.358 -1.827 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)nn1 ZINC001403742868 925134366 /nfs/dbraw/zinc/13/43/66/925134366.db2.gz JFMGGUAFRJPNRY-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)[C@H]1C ZINC001403743491 925135283 /nfs/dbraw/zinc/13/52/83/925135283.db2.gz CPNMQUMRQXNDRE-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@@H]12 ZINC001403779371 925140494 /nfs/dbraw/zinc/14/04/94/925140494.db2.gz IVQAQIBTBVSHRN-RBZYPMLTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001403772059 925140508 /nfs/dbraw/zinc/14/05/08/925140508.db2.gz AMFDVCHLVFOXGM-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001403772059 925140511 /nfs/dbraw/zinc/14/05/11/925140511.db2.gz AMFDVCHLVFOXGM-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCNC(N)=O ZINC001403774297 925140721 /nfs/dbraw/zinc/14/07/21/925140721.db2.gz SFAPOQXCORANFH-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCNC(N)=O ZINC001403774277 925140757 /nfs/dbraw/zinc/14/07/57/925140757.db2.gz SFAPOQXCORANFH-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001403812374 925143543 /nfs/dbraw/zinc/14/35/43/925143543.db2.gz IVFHGXAYEDSWTB-NSHDSACASA-N 1 1 312.374 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CNC(=O)C1CC1 ZINC001403824826 925144560 /nfs/dbraw/zinc/14/45/60/925144560.db2.gz IKJYIYMBLMZBFH-LLVKDONJSA-N 1 1 311.342 -1.495 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnsn1)CC(=O)NC(N)=O ZINC001403817528 925144904 /nfs/dbraw/zinc/14/49/04/925144904.db2.gz MTOLZZOSYKNBOS-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnsn1)CC(=O)NC(N)=O ZINC001403817528 925144911 /nfs/dbraw/zinc/14/49/11/925144911.db2.gz MTOLZZOSYKNBOS-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc2ccn[nH]2)C1=O ZINC001403822142 925145711 /nfs/dbraw/zinc/14/57/11/925145711.db2.gz FQKWXRONGBNHFE-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccn(C)n1 ZINC001403834804 925149866 /nfs/dbraw/zinc/14/98/66/925149866.db2.gz DXTGUHHNIFKWLE-LLVKDONJSA-N 1 1 322.373 -1.905 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1n[nH]cc1C(F)(F)F ZINC001403839444 925150225 /nfs/dbraw/zinc/15/02/25/925150225.db2.gz DGPGMLIFLGUUJK-ZCFIWIBFSA-N 1 1 323.275 -1.064 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001403841944 925151998 /nfs/dbraw/zinc/15/19/98/925151998.db2.gz HBDIIDPSZKHGSQ-QMMMGPOBSA-N 1 1 316.387 -1.624 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn(C)n1)[C@H](C)C(=O)NC(N)=O ZINC001403847093 925152107 /nfs/dbraw/zinc/15/21/07/925152107.db2.gz BKXUGWFHCHZNPA-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@H](C)C(=O)NC(N)=O ZINC001403847093 925152112 /nfs/dbraw/zinc/15/21/12/925152112.db2.gz BKXUGWFHCHZNPA-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001403844069 925152179 /nfs/dbraw/zinc/15/21/79/925152179.db2.gz NRLLFJVQFSXMMR-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001403849490 925153252 /nfs/dbraw/zinc/15/32/52/925153252.db2.gz WVMCCTOYWQNUBM-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001403851328 925153289 /nfs/dbraw/zinc/15/32/89/925153289.db2.gz WVDWSDAKZMANQK-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)c1cc(=O)n(C)cn1 ZINC001403857873 925155888 /nfs/dbraw/zinc/15/58/88/925155888.db2.gz YHAIMYVIURZWIO-NSHDSACASA-N 1 1 321.337 -1.009 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1)c1nncn1C ZINC001403856704 925156172 /nfs/dbraw/zinc/15/61/72/925156172.db2.gz RTKDEBJSBVIZSK-RKDXNWHRSA-N 1 1 308.346 -1.283 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001403858340 925156486 /nfs/dbraw/zinc/15/64/86/925156486.db2.gz IFRMZCRJLXODGT-ZJUUUORDSA-N 1 1 312.374 -1.765 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001403865552 925157958 /nfs/dbraw/zinc/15/79/58/925157958.db2.gz UTUPABLDZAKVKF-NXEZZACHSA-N 1 1 301.347 -1.857 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)C[C@H](O)COC ZINC001403866729 925158029 /nfs/dbraw/zinc/15/80/29/925158029.db2.gz NHOYJVSACCHYQJ-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccn(C)n1 ZINC001403869899 925159612 /nfs/dbraw/zinc/15/96/12/925159612.db2.gz DDMBEJWBFIUQLW-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)c1cn(C)c(=O)n1C ZINC001403875922 925160127 /nfs/dbraw/zinc/16/01/27/925160127.db2.gz GKVBJTAXEGMNTD-NSHDSACASA-N 1 1 323.353 -1.066 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1c[nH]nn1 ZINC001403873351 925160312 /nfs/dbraw/zinc/16/03/12/925160312.db2.gz YDDPYHRLDSYNEM-LBPRGKRZSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1cnn[nH]1 ZINC001403873351 925160319 /nfs/dbraw/zinc/16/03/19/925160319.db2.gz YDDPYHRLDSYNEM-LBPRGKRZSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cccn1 ZINC001403876525 925160764 /nfs/dbraw/zinc/16/07/64/925160764.db2.gz HECDYZSXJUMVBZ-QWHCGFSZSA-N 1 1 323.397 -1.135 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403883793 925161808 /nfs/dbraw/zinc/16/18/08/925161808.db2.gz DPZRHBYDTDVNCL-JTQLQIEISA-N 1 1 320.415 -1.459 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403883793 925161812 /nfs/dbraw/zinc/16/18/12/925161812.db2.gz DPZRHBYDTDVNCL-JTQLQIEISA-N 1 1 320.415 -1.459 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)nc1 ZINC001403881243 925162318 /nfs/dbraw/zinc/16/23/18/925162318.db2.gz TVEBANJCRZSSGK-MNOVXSKESA-N 1 1 322.369 -1.625 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2nnc[nH]2)nn1 ZINC001403891944 925164127 /nfs/dbraw/zinc/16/41/27/925164127.db2.gz ZJHIWLDYZZKRJV-LLVKDONJSA-N 1 1 322.373 -1.432 20 0 DAADMO CCCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001403891382 925164207 /nfs/dbraw/zinc/16/42/07/925164207.db2.gz NNEHELMXZJCCKO-JTQLQIEISA-N 1 1 302.375 -1.007 20 0 DAADMO CCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001403891382 925164211 /nfs/dbraw/zinc/16/42/11/925164211.db2.gz NNEHELMXZJCCKO-JTQLQIEISA-N 1 1 302.375 -1.007 20 0 DAADMO CCCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001403891389 925164610 /nfs/dbraw/zinc/16/46/10/925164610.db2.gz NNEHELMXZJCCKO-SNVBAGLBSA-N 1 1 302.375 -1.007 20 0 DAADMO CCCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001403891389 925164614 /nfs/dbraw/zinc/16/46/14/925164614.db2.gz NNEHELMXZJCCKO-SNVBAGLBSA-N 1 1 302.375 -1.007 20 0 DAADMO CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001403887866 925164628 /nfs/dbraw/zinc/16/46/28/925164628.db2.gz NVPOFGDLZPGLRM-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403884329 925164929 /nfs/dbraw/zinc/16/49/29/925164929.db2.gz DADZORJKDSXNFV-RYUDHWBXSA-N 1 1 314.386 -1.896 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001403891225 925165068 /nfs/dbraw/zinc/16/50/68/925165068.db2.gz COXZKWSWDXENFR-UWVGGRQHSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001403887397 925165421 /nfs/dbraw/zinc/16/54/21/925165421.db2.gz BLXSRQWEWQVWNQ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891293 925165530 /nfs/dbraw/zinc/16/55/30/925165530.db2.gz BVBXGMDQQDTCGQ-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO Cc1nocc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403900156 925166565 /nfs/dbraw/zinc/16/65/65/925166565.db2.gz QBJSHGMJVMAEBK-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1nocc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403900156 925166574 /nfs/dbraw/zinc/16/65/74/925166574.db2.gz QBJSHGMJVMAEBK-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001403899428 925166634 /nfs/dbraw/zinc/16/66/34/925166634.db2.gz HLZUSEYGKCCOSG-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001403899520 925166980 /nfs/dbraw/zinc/16/69/80/925166980.db2.gz RLINESJWZYYMRE-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001403900173 925167236 /nfs/dbraw/zinc/16/72/36/925167236.db2.gz DJHOLDLNAVPEFG-VIFPVBQESA-N 1 1 310.358 -1.831 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001403900173 925167240 /nfs/dbraw/zinc/16/72/40/925167240.db2.gz DJHOLDLNAVPEFG-VIFPVBQESA-N 1 1 310.358 -1.831 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001403899790 925167355 /nfs/dbraw/zinc/16/73/55/925167355.db2.gz CXIDZYTVUCIHDE-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@@H](C)COC ZINC001403899903 925167480 /nfs/dbraw/zinc/16/74/80/925167480.db2.gz QYJZBYBNRVNOSK-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001403898883 925167496 /nfs/dbraw/zinc/16/74/96/925167496.db2.gz GKOWFDTYDWKOTK-CYBMUJFWSA-N 1 1 301.387 -1.138 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001403899494 925167527 /nfs/dbraw/zinc/16/75/27/925167527.db2.gz RLINESJWZYYMRE-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403895523 925167620 /nfs/dbraw/zinc/16/76/20/925167620.db2.gz CCJJENIGZHALNN-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403895523 925167624 /nfs/dbraw/zinc/16/76/24/925167624.db2.gz CCJJENIGZHALNN-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001403899312 925167847 /nfs/dbraw/zinc/16/78/47/925167847.db2.gz HFVDAMMEGURAEI-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cn[nH]n1 ZINC001403897065 925167888 /nfs/dbraw/zinc/16/78/88/925167888.db2.gz IAWUJEZSWNBKHL-SNVBAGLBSA-N 1 1 310.358 -1.598 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cn[nH]n1 ZINC001403897065 925167892 /nfs/dbraw/zinc/16/78/92/925167892.db2.gz IAWUJEZSWNBKHL-SNVBAGLBSA-N 1 1 310.358 -1.598 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1c2c(nn1C)CCC2 ZINC001403893436 925168112 /nfs/dbraw/zinc/16/81/12/925168112.db2.gz AHIBBGXNPXJILM-SNVBAGLBSA-N 1 1 323.397 -1.241 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1c2c(nn1C)CCC2 ZINC001403893436 925168119 /nfs/dbraw/zinc/16/81/19/925168119.db2.gz AHIBBGXNPXJILM-SNVBAGLBSA-N 1 1 323.397 -1.241 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001403894524 925168599 /nfs/dbraw/zinc/16/85/99/925168599.db2.gz IBTYVWABHACKIH-GHMZBOCLSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001403894524 925168611 /nfs/dbraw/zinc/16/86/11/925168611.db2.gz IBTYVWABHACKIH-GHMZBOCLSA-N 1 1 303.359 -1.972 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403898109 925168653 /nfs/dbraw/zinc/16/86/53/925168653.db2.gz ZNKQMMNFUQWNEQ-LBPRGKRZSA-N 1 1 316.402 -1.696 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403898109 925168658 /nfs/dbraw/zinc/16/86/58/925168658.db2.gz ZNKQMMNFUQWNEQ-LBPRGKRZSA-N 1 1 316.402 -1.696 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1nnc[nH]1 ZINC001403892736 925168839 /nfs/dbraw/zinc/16/88/39/925168839.db2.gz IYICEZGHJMXZGE-WDEREUQCSA-N 1 1 324.385 -1.671 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cnn(C)n1 ZINC001403900754 925169536 /nfs/dbraw/zinc/16/95/36/925169536.db2.gz HAFAXRTZSKMZCE-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cnn(C)n1 ZINC001403900754 925169540 /nfs/dbraw/zinc/16/95/40/925169540.db2.gz HAFAXRTZSKMZCE-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001403907050 925169568 /nfs/dbraw/zinc/16/95/68/925169568.db2.gz XRKPUQTVUMQXOF-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCCF)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001403901167 925169600 /nfs/dbraw/zinc/16/96/00/925169600.db2.gz YIVPLPHRKAEPSA-JTQLQIEISA-N 1 1 323.390 -1.303 20 0 DAADMO CC[N@@H+](CCCF)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001403901167 925169605 /nfs/dbraw/zinc/16/96/05/925169605.db2.gz YIVPLPHRKAEPSA-JTQLQIEISA-N 1 1 323.390 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001403910979 925169715 /nfs/dbraw/zinc/16/97/15/925169715.db2.gz JSKZIOABBGURCY-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001403905817 925169827 /nfs/dbraw/zinc/16/98/27/925169827.db2.gz WPKJUSWLAASCCM-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001403905817 925169833 /nfs/dbraw/zinc/16/98/33/925169833.db2.gz WPKJUSWLAASCCM-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905063 925169984 /nfs/dbraw/zinc/16/99/84/925169984.db2.gz DWAZZKBFHBKHHY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905063 925169989 /nfs/dbraw/zinc/16/99/89/925169989.db2.gz DWAZZKBFHBKHHY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001403910984 925170067 /nfs/dbraw/zinc/17/00/67/925170067.db2.gz JSKZIOABBGURCY-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001403900867 925171077 /nfs/dbraw/zinc/17/10/77/925171077.db2.gz HDVXPSWVWDKFAH-OLZOCXBDSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCS1(=O)=O ZINC001403900866 925171385 /nfs/dbraw/zinc/17/13/85/925171385.db2.gz RFFYCRGPNWVOFY-NSHDSACASA-N 1 1 323.415 -2.235 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001403924008 925172418 /nfs/dbraw/zinc/17/24/18/925172418.db2.gz YAPJXEIOPIHHLX-KBPBESRZSA-N 1 1 317.430 -1.302 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001403924008 925172423 /nfs/dbraw/zinc/17/24/23/925172423.db2.gz YAPJXEIOPIHHLX-KBPBESRZSA-N 1 1 317.430 -1.302 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923428 925172635 /nfs/dbraw/zinc/17/26/35/925172635.db2.gz ZTXHWBRULYAIIU-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923428 925172641 /nfs/dbraw/zinc/17/26/41/925172641.db2.gz ZTXHWBRULYAIIU-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001403912218 925172852 /nfs/dbraw/zinc/17/28/52/925172852.db2.gz ZWRMPQFDVQNXQQ-NEPJUHHUSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001403912218 925172858 /nfs/dbraw/zinc/17/28/58/925172858.db2.gz ZWRMPQFDVQNXQQ-NEPJUHHUSA-N 1 1 322.427 -1.445 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001403914233 925172942 /nfs/dbraw/zinc/17/29/42/925172942.db2.gz KSTOSJHMDPWUEX-CMPLNLGQSA-N 1 1 324.381 -1.074 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915521 925172994 /nfs/dbraw/zinc/17/29/94/925172994.db2.gz HSHRTNWLGRTTSV-PWSUYJOCSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915521 925173003 /nfs/dbraw/zinc/17/30/03/925173003.db2.gz HSHRTNWLGRTTSV-PWSUYJOCSA-N 1 1 311.386 -1.162 20 0 DAADMO CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403915498 925173264 /nfs/dbraw/zinc/17/32/64/925173264.db2.gz HNLDOLDRFJNTOT-QWRGUYRKSA-N 1 1 314.386 -1.008 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)S(C)(=O)=O ZINC001403916220 925173274 /nfs/dbraw/zinc/17/32/74/925173274.db2.gz WMDFNIWXIHTFPS-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)S(C)(=O)=O ZINC001403916220 925173278 /nfs/dbraw/zinc/17/32/78/925173278.db2.gz WMDFNIWXIHTFPS-GHMZBOCLSA-N 1 1 310.416 -1.447 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001403915612 925173637 /nfs/dbraw/zinc/17/36/37/925173637.db2.gz RJRFTIWSTKNEKM-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001403915612 925173640 /nfs/dbraw/zinc/17/36/40/925173640.db2.gz RJRFTIWSTKNEKM-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cccc(C(N)=O)n1 ZINC001403913596 925173817 /nfs/dbraw/zinc/17/38/17/925173817.db2.gz JBGWWDUTYUMDDI-SNVBAGLBSA-N 1 1 310.354 -1.463 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001403957942 925175888 /nfs/dbraw/zinc/17/58/88/925175888.db2.gz AQPZHEUKQXIDGR-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001403957942 925175897 /nfs/dbraw/zinc/17/58/97/925175897.db2.gz AQPZHEUKQXIDGR-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001404007214 925177187 /nfs/dbraw/zinc/17/71/87/925177187.db2.gz RGHNQOSQCZIQIT-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1=O ZINC001403982578 925177516 /nfs/dbraw/zinc/17/75/16/925177516.db2.gz HMFXOZOAWJGIDZ-GFCCVEGCSA-N 1 1 324.381 -1.490 20 0 DAADMO CC(=O)NCC(=O)N(C)C1CC([NH2+][C@H](C)c2nnnn2C)C1 ZINC001403997406 925177722 /nfs/dbraw/zinc/17/77/22/925177722.db2.gz GJACKUGIUROMDA-MFAVDMRSSA-N 1 1 309.374 -1.014 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1 ZINC001403982098 925177939 /nfs/dbraw/zinc/17/79/39/925177939.db2.gz QCRNCAUELBDWJC-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC001404006829 925178044 /nfs/dbraw/zinc/17/80/44/925178044.db2.gz BLWLTFIBKFXJFO-SILCLGDVSA-N 1 1 309.374 -1.049 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001403980350 925178367 /nfs/dbraw/zinc/17/83/67/925178367.db2.gz ZKKIPPOAEXEHOE-VIFPVBQESA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001403980350 925178372 /nfs/dbraw/zinc/17/83/72/925178372.db2.gz ZKKIPPOAEXEHOE-VIFPVBQESA-N 1 1 324.345 -2.291 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CC([NH2+]Cc2nncn2C)C1 ZINC001404002145 925178501 /nfs/dbraw/zinc/17/85/01/925178501.db2.gz HQLNAPFNQJLPBU-UHFFFAOYSA-N 1 1 315.399 -1.061 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001403984403 925178560 /nfs/dbraw/zinc/17/85/60/925178560.db2.gz KTDAWCXROPFMIO-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001403984403 925178566 /nfs/dbraw/zinc/17/85/66/925178566.db2.gz KTDAWCXROPFMIO-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001403994632 925178673 /nfs/dbraw/zinc/17/86/73/925178673.db2.gz FACFKLPZBIOZRP-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001403994632 925178680 /nfs/dbraw/zinc/17/86/80/925178680.db2.gz FACFKLPZBIOZRP-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001403995137 925178730 /nfs/dbraw/zinc/17/87/30/925178730.db2.gz DESUJIFTJMWLBG-LLVKDONJSA-N 1 1 300.359 -2.188 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404015405 925178897 /nfs/dbraw/zinc/17/88/97/925178897.db2.gz OXCBGPTXRMIURX-NXEZZACHSA-N 1 1 315.374 -2.493 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404015405 925178905 /nfs/dbraw/zinc/17/89/05/925178905.db2.gz OXCBGPTXRMIURX-NXEZZACHSA-N 1 1 315.374 -2.493 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001404035484 925179351 /nfs/dbraw/zinc/17/93/51/925179351.db2.gz WNACQIXCWGBLHW-AXFHLTTASA-N 1 1 314.386 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001404035484 925179355 /nfs/dbraw/zinc/17/93/55/925179355.db2.gz WNACQIXCWGBLHW-AXFHLTTASA-N 1 1 314.386 -1.151 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001404058055 925179520 /nfs/dbraw/zinc/17/95/20/925179520.db2.gz FBYTYISTDYOEED-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001404058055 925179523 /nfs/dbraw/zinc/17/95/23/925179523.db2.gz FBYTYISTDYOEED-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001404047475 925180097 /nfs/dbraw/zinc/18/00/97/925180097.db2.gz XBZUNZRRRKYOFW-LLVKDONJSA-N 1 1 322.373 -1.864 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001404057122 925180368 /nfs/dbraw/zinc/18/03/68/925180368.db2.gz KZEXBGJZXHALSB-JTQLQIEISA-N 1 1 308.404 -2.139 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001404058566 925180412 /nfs/dbraw/zinc/18/04/12/925180412.db2.gz NBMKLDMAMUMGKW-GFCCVEGCSA-N 1 1 319.427 -1.158 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041528 925180609 /nfs/dbraw/zinc/18/06/09/925180609.db2.gz PCQBLVRBUDYNEN-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041528 925180612 /nfs/dbraw/zinc/18/06/12/925180612.db2.gz PCQBLVRBUDYNEN-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)COC)C1 ZINC001404030062 925180909 /nfs/dbraw/zinc/18/09/09/925180909.db2.gz RRDWGAAUCQFONA-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001404016694 925181001 /nfs/dbraw/zinc/18/10/01/925181001.db2.gz GUCGWWBEAMZUIG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001404030278 925181044 /nfs/dbraw/zinc/18/10/44/925181044.db2.gz VCWLOBPJZKMVKE-NXEZZACHSA-N 1 1 300.363 -1.390 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001404091451 925181515 /nfs/dbraw/zinc/18/15/15/925181515.db2.gz WUJYBNAWINWDBL-NSHDSACASA-N 1 1 322.431 -1.797 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001404071318 925181525 /nfs/dbraw/zinc/18/15/25/925181525.db2.gz QMRBHCVTNKTTBY-MNOVXSKESA-N 1 1 310.354 -1.171 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001404086465 925182107 /nfs/dbraw/zinc/18/21/07/925182107.db2.gz NSBMLHYFKZIFDE-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)N2CCCC2)C1 ZINC001404079957 925182243 /nfs/dbraw/zinc/18/22/43/925182243.db2.gz ZJLZRTZSMOMBTH-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC001404077647 925182293 /nfs/dbraw/zinc/18/22/93/925182293.db2.gz JNLRABDXNLBSPO-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC001404077647 925182305 /nfs/dbraw/zinc/18/23/05/925182305.db2.gz JNLRABDXNLBSPO-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001404091448 925182801 /nfs/dbraw/zinc/18/28/01/925182801.db2.gz WUJYBNAWINWDBL-LLVKDONJSA-N 1 1 322.431 -1.797 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCC1 ZINC001404123935 925183027 /nfs/dbraw/zinc/18/30/27/925183027.db2.gz FAJPNATVXFIVLB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCC1 ZINC001404123935 925183033 /nfs/dbraw/zinc/18/30/33/925183033.db2.gz FAJPNATVXFIVLB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001404179039 925184160 /nfs/dbraw/zinc/18/41/60/925184160.db2.gz CXHRHDWUOCGLTM-LLVKDONJSA-N 1 1 322.369 -1.025 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@H](C)O ZINC001404168212 925184317 /nfs/dbraw/zinc/18/43/17/925184317.db2.gz BLVLMQBSRDYNKT-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001404181151 925184454 /nfs/dbraw/zinc/18/44/54/925184454.db2.gz VQKLFGXZGIRGJU-SNVBAGLBSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001404181151 925184463 /nfs/dbraw/zinc/18/44/63/925184463.db2.gz VQKLFGXZGIRGJU-SNVBAGLBSA-N 1 1 321.385 -1.079 20 0 DAADMO CC(C)NC(=O)C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001404259404 925185727 /nfs/dbraw/zinc/18/57/27/925185727.db2.gz FCBRSXWFMKWLTP-NSHDSACASA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001404259404 925185738 /nfs/dbraw/zinc/18/57/38/925185738.db2.gz FCBRSXWFMKWLTP-NSHDSACASA-N 1 1 311.386 -1.227 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](CC(N)=O)C2CC2)c(=O)n(C)c1=O ZINC001404258541 925186517 /nfs/dbraw/zinc/18/65/17/925186517.db2.gz JEGACONBBZSGIV-UHFFFAOYSA-N 1 1 323.353 -2.237 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)c(=O)n(C)c1=O ZINC001404258541 925186524 /nfs/dbraw/zinc/18/65/24/925186524.db2.gz JEGACONBBZSGIV-UHFFFAOYSA-N 1 1 323.353 -2.237 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC001404234886 925187049 /nfs/dbraw/zinc/18/70/49/925187049.db2.gz YBAGACAGPDMBOM-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC001404234886 925187054 /nfs/dbraw/zinc/18/70/54/925187054.db2.gz YBAGACAGPDMBOM-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001404261916 925187068 /nfs/dbraw/zinc/18/70/68/925187068.db2.gz RZASXSIWLNTASD-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001404261916 925187073 /nfs/dbraw/zinc/18/70/73/925187073.db2.gz RZASXSIWLNTASD-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001404253359 925187147 /nfs/dbraw/zinc/18/71/47/925187147.db2.gz NHFAWUXXKGKKAO-VIFPVBQESA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001404253359 925187151 /nfs/dbraw/zinc/18/71/51/925187151.db2.gz NHFAWUXXKGKKAO-VIFPVBQESA-N 1 1 310.358 -1.964 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001404258567 925187314 /nfs/dbraw/zinc/18/73/14/925187314.db2.gz JKDITPMSUVUVBH-UHFFFAOYSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001404258567 925187319 /nfs/dbraw/zinc/18/73/19/925187319.db2.gz JKDITPMSUVUVBH-UHFFFAOYSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001404267257 925188882 /nfs/dbraw/zinc/18/88/82/925188882.db2.gz XFOKTIVSIGSXJF-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001404322641 925191629 /nfs/dbraw/zinc/19/16/29/925191629.db2.gz JKQAJAWILCRKHU-QMMMGPOBSA-N 1 1 318.403 -1.229 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327827 925192297 /nfs/dbraw/zinc/19/22/97/925192297.db2.gz PMXIFXKNRSNBDB-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327827 925192303 /nfs/dbraw/zinc/19/23/03/925192303.db2.gz PMXIFXKNRSNBDB-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404366133 925193251 /nfs/dbraw/zinc/19/32/51/925193251.db2.gz CDRUVBQYRDSVPO-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)C[NH2+][C@H](CNC(=O)Cn1cnnn1)c1ccccc1 ZINC001404369921 925193269 /nfs/dbraw/zinc/19/32/69/925193269.db2.gz GZAWXKGLXWGOLP-GFCCVEGCSA-N 1 1 317.353 -1.134 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404366129 925193770 /nfs/dbraw/zinc/19/37/70/925193770.db2.gz CDRUVBQYRDSVPO-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404366127 925194015 /nfs/dbraw/zinc/19/40/15/925194015.db2.gz CDRUVBQYRDSVPO-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CCCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](CCO)C1 ZINC001404457385 925196755 /nfs/dbraw/zinc/19/67/55/925196755.db2.gz VKYMMYYRVBJFDW-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404441924 925196881 /nfs/dbraw/zinc/19/68/81/925196881.db2.gz FAUKBLXUPNFWDU-LBPRGKRZSA-N 1 1 319.373 -1.207 20 0 DAADMO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404452776 925196993 /nfs/dbraw/zinc/19/69/93/925196993.db2.gz IQJWFQXNTCGRBD-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404452776 925197001 /nfs/dbraw/zinc/19/70/01/925197001.db2.gz IQJWFQXNTCGRBD-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CN2CCOCC2=O)C1 ZINC001404500423 925200561 /nfs/dbraw/zinc/20/05/61/925200561.db2.gz NMZCYWDJPNCTHD-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001404506897 925200804 /nfs/dbraw/zinc/20/08/04/925200804.db2.gz OIUOBGZZVQWSEE-NWDGAFQWSA-N 1 1 316.402 -1.249 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 ZINC001404514861 925201526 /nfs/dbraw/zinc/20/15/26/925201526.db2.gz MGWZFXODJVQMJR-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nnc[nH]2)C1 ZINC001404544753 925204386 /nfs/dbraw/zinc/20/43/86/925204386.db2.gz XLBFDSLBLWCXDD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001404544753 925204395 /nfs/dbraw/zinc/20/43/95/925204395.db2.gz XLBFDSLBLWCXDD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001404544753 925204402 /nfs/dbraw/zinc/20/44/02/925204402.db2.gz XLBFDSLBLWCXDD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001404544753 925204407 /nfs/dbraw/zinc/20/44/07/925204407.db2.gz XLBFDSLBLWCXDD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001404544753 925204415 /nfs/dbraw/zinc/20/44/15/925204415.db2.gz XLBFDSLBLWCXDD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001404615749 925205669 /nfs/dbraw/zinc/20/56/69/925205669.db2.gz LKDIFFWWWFRBKD-JTQLQIEISA-N 1 1 309.374 -1.283 20 0 DAADMO COCC(=O)N1CCC(C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001404608243 925205908 /nfs/dbraw/zinc/20/59/08/925205908.db2.gz UVCXVUCTIJPYIS-UHFFFAOYSA-N 1 1 300.359 -1.002 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001404620355 925206000 /nfs/dbraw/zinc/20/60/00/925206000.db2.gz MIPMCPBGHOKXJW-NSHDSACASA-N 1 1 312.370 -1.253 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001404578289 925206016 /nfs/dbraw/zinc/20/60/16/925206016.db2.gz PBWMXKWXBCWWLT-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404586385 925206083 /nfs/dbraw/zinc/20/60/83/925206083.db2.gz JTDCGMJMGAXPDP-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC(C[N@@H+](C)CCO)CC1 ZINC001404616566 925206108 /nfs/dbraw/zinc/20/61/08/925206108.db2.gz CBZKNSYHTRHLOP-UHFFFAOYSA-N 1 1 307.416 -1.302 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001404601601 925206167 /nfs/dbraw/zinc/20/61/67/925206167.db2.gz XAMQRRLQZLMWDC-SECBINFHSA-N 1 1 307.354 -1.007 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404625893 925206191 /nfs/dbraw/zinc/20/61/91/925206191.db2.gz OPERGXOURHYBMV-QWRGUYRKSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001404590316 925206582 /nfs/dbraw/zinc/20/65/82/925206582.db2.gz NNHZAFIKMGWTJI-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001404582869 925206683 /nfs/dbraw/zinc/20/66/83/925206683.db2.gz DOTSZJGJDGFAAY-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCF)C1 ZINC001404581345 925206712 /nfs/dbraw/zinc/20/67/12/925206712.db2.gz SZVRMBVYEMKXID-LBPRGKRZSA-N 1 1 316.377 -1.012 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001404693122 925209930 /nfs/dbraw/zinc/20/99/30/925209930.db2.gz LFAROXKKLCKRJZ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001404693122 925209940 /nfs/dbraw/zinc/20/99/40/925209940.db2.gz LFAROXKKLCKRJZ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCN(CC)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001404738855 925212705 /nfs/dbraw/zinc/21/27/05/925212705.db2.gz BEDYLOUFIGXPKT-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(CC)C(=O)CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001404738855 925212714 /nfs/dbraw/zinc/21/27/14/925212714.db2.gz BEDYLOUFIGXPKT-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CCNS(C)(=O)=O)C1 ZINC001404766407 925213405 /nfs/dbraw/zinc/21/34/05/925213405.db2.gz JSOOPQOETACKTD-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001404815316 925217004 /nfs/dbraw/zinc/21/70/04/925217004.db2.gz AUAMDOIMSLEXLE-SRVKXCTJSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001404863294 925220490 /nfs/dbraw/zinc/22/04/90/925220490.db2.gz AVQZQCBDGQATST-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO COCCC(=O)NCC1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001404866059 925220806 /nfs/dbraw/zinc/22/08/06/925220806.db2.gz RKILLGXKNZFJMZ-UHFFFAOYSA-N 1 1 324.381 -1.332 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001404875971 925222941 /nfs/dbraw/zinc/22/29/41/925222941.db2.gz NPLDAFVRMJGEFN-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001404878212 925223361 /nfs/dbraw/zinc/22/33/61/925223361.db2.gz ZKBSUZLWFJQXRU-VIFPVBQESA-N 1 1 320.415 -1.892 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001404933467 925224254 /nfs/dbraw/zinc/22/42/54/925224254.db2.gz LGLHNEWIZMZGGY-SECBINFHSA-N 1 1 320.415 -1.940 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001404907099 925225791 /nfs/dbraw/zinc/22/57/91/925225791.db2.gz QLCIKKKNXMEKHR-UHFFFAOYSA-N 1 1 307.354 -1.090 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1C ZINC001404972967 925227263 /nfs/dbraw/zinc/22/72/63/925227263.db2.gz WMGIXCPATGPSEI-WUHRBBMRSA-N 1 1 311.382 -1.100 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)C1=O ZINC001404988002 925228630 /nfs/dbraw/zinc/22/86/30/925228630.db2.gz XRARXXSLAQGUOM-DCAQKATOSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)C1=O ZINC001404984575 925229595 /nfs/dbraw/zinc/22/95/95/925229595.db2.gz NSBRWTBDCXZBMK-SDDRHHMPSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405009270 925230596 /nfs/dbraw/zinc/23/05/96/925230596.db2.gz ODPKJKKOSVCDDO-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405009270 925230608 /nfs/dbraw/zinc/23/06/08/925230608.db2.gz ODPKJKKOSVCDDO-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001405001150 925231065 /nfs/dbraw/zinc/23/10/65/925231065.db2.gz QCNISRDODZCKOS-RWMBFGLXSA-N 1 1 301.387 -1.485 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001405031055 925232949 /nfs/dbraw/zinc/23/29/49/925232949.db2.gz TXPKHQCBBMVWGO-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001405044740 925234254 /nfs/dbraw/zinc/23/42/54/925234254.db2.gz DNSWUSLDARYOFQ-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001405058744 925234367 /nfs/dbraw/zinc/23/43/67/925234367.db2.gz ZCBFDBKCEVFLGC-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001405058744 925234373 /nfs/dbraw/zinc/23/43/73/925234373.db2.gz ZCBFDBKCEVFLGC-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001405056204 925234835 /nfs/dbraw/zinc/23/48/35/925234835.db2.gz PRKGJXQASRSUQW-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001405054274 925235153 /nfs/dbraw/zinc/23/51/53/925235153.db2.gz RNNDJFWMGFXEDV-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001405055414 925235917 /nfs/dbraw/zinc/23/59/17/925235917.db2.gz SVLBSXVXUYXBSS-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001405055414 925235930 /nfs/dbraw/zinc/23/59/30/925235930.db2.gz SVLBSXVXUYXBSS-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001405085009 925236688 /nfs/dbraw/zinc/23/66/88/925236688.db2.gz TZPJRGXGNVELLE-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001405065914 925237202 /nfs/dbraw/zinc/23/72/02/925237202.db2.gz GXRWJBDEDFPOFU-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405111296 925238419 /nfs/dbraw/zinc/23/84/19/925238419.db2.gz JAFKKFHNTFWPTM-VIFPVBQESA-N 1 1 306.388 -1.927 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405111296 925238427 /nfs/dbraw/zinc/23/84/27/925238427.db2.gz JAFKKFHNTFWPTM-VIFPVBQESA-N 1 1 306.388 -1.927 20 0 DAADMO CN(CC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001405109930 925239172 /nfs/dbraw/zinc/23/91/72/925239172.db2.gz BXCMWIONZIUWEC-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001405111113 925239694 /nfs/dbraw/zinc/23/96/94/925239694.db2.gz FYJMTFYKMLCXJM-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001405111113 925239697 /nfs/dbraw/zinc/23/96/97/925239697.db2.gz FYJMTFYKMLCXJM-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001405127403 925241128 /nfs/dbraw/zinc/24/11/28/925241128.db2.gz PHBDWKYJOATEJU-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122993 925241380 /nfs/dbraw/zinc/24/13/80/925241380.db2.gz KWOJRHAMGIPBIY-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122993 925241388 /nfs/dbraw/zinc/24/13/88/925241388.db2.gz KWOJRHAMGIPBIY-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126585 925242168 /nfs/dbraw/zinc/24/21/68/925242168.db2.gz LDRFXXNAXXNSMZ-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126585 925242173 /nfs/dbraw/zinc/24/21/73/925242173.db2.gz LDRFXXNAXXNSMZ-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001405153780 925243444 /nfs/dbraw/zinc/24/34/44/925243444.db2.gz WNNBBYSSELMRJK-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001405180411 925243482 /nfs/dbraw/zinc/24/34/82/925243482.db2.gz ZHCZNPACAOBMEA-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159920 925243765 /nfs/dbraw/zinc/24/37/65/925243765.db2.gz ULJCEYBKXATQOQ-IUCAKERBSA-N 1 1 323.357 -1.537 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159920 925243773 /nfs/dbraw/zinc/24/37/73/925243773.db2.gz ULJCEYBKXATQOQ-IUCAKERBSA-N 1 1 323.357 -1.537 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001405188209 925245842 /nfs/dbraw/zinc/24/58/42/925245842.db2.gz IRPIZOOOKSIJFD-SDDRHHMPSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405206995 925250275 /nfs/dbraw/zinc/25/02/75/925250275.db2.gz BNEKFTKTPJGENF-DGCLKSJQSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405206995 925250280 /nfs/dbraw/zinc/25/02/80/925250280.db2.gz BNEKFTKTPJGENF-DGCLKSJQSA-N 1 1 324.381 -1.058 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001405207567 925250596 /nfs/dbraw/zinc/25/05/96/925250596.db2.gz GUPTWHJTAYNREM-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405206985 925250920 /nfs/dbraw/zinc/25/09/20/925250920.db2.gz BNEKFTKTPJGENF-AAEUAGOBSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405206985 925250936 /nfs/dbraw/zinc/25/09/36/925250936.db2.gz BNEKFTKTPJGENF-AAEUAGOBSA-N 1 1 324.381 -1.058 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001405210574 925251369 /nfs/dbraw/zinc/25/13/69/925251369.db2.gz BIRJAPDYOKZUEZ-NWDGAFQWSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2nccnc2N)C1 ZINC001405225773 925258027 /nfs/dbraw/zinc/25/80/27/925258027.db2.gz BRRDIZOUKZHOPC-UWVGGRQHSA-N 1 1 322.369 -1.783 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001405225327 925258151 /nfs/dbraw/zinc/25/81/51/925258151.db2.gz VYDDBBSOWUKXOS-JQWIXIFHSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405237494 925262503 /nfs/dbraw/zinc/26/25/03/925262503.db2.gz JOPGYALYDPNEGD-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405237494 925262508 /nfs/dbraw/zinc/26/25/08/925262508.db2.gz JOPGYALYDPNEGD-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1nccnc1N ZINC001405237821 925263477 /nfs/dbraw/zinc/26/34/77/925263477.db2.gz YCMKTAFTKCHUFX-NXEZZACHSA-N 1 1 322.369 -1.640 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405240697 925265400 /nfs/dbraw/zinc/26/54/00/925265400.db2.gz NGQPHSVHYPRVDH-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405240697 925265410 /nfs/dbraw/zinc/26/54/10/925265410.db2.gz NGQPHSVHYPRVDH-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242778 925266733 /nfs/dbraw/zinc/26/67/33/925266733.db2.gz RCLRSRYQDTVXOO-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242778 925266736 /nfs/dbraw/zinc/26/67/36/925266736.db2.gz RCLRSRYQDTVXOO-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnns1 ZINC001405242275 925267490 /nfs/dbraw/zinc/26/74/90/925267490.db2.gz ZIHTXVGATDQKIM-DTWKUNHWSA-N 1 1 313.383 -1.161 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)CCc1cnc[nH]1 ZINC001405245231 925267725 /nfs/dbraw/zinc/26/77/25/925267725.db2.gz AEIKNMNNBAYKIE-SNVBAGLBSA-N 1 1 321.341 -1.622 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001405249207 925269028 /nfs/dbraw/zinc/26/90/28/925269028.db2.gz FHEPUJUJRJJXNU-QWRGUYRKSA-N 1 1 324.385 -1.401 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nnc[nH]1 ZINC001405259372 925271586 /nfs/dbraw/zinc/27/15/86/925271586.db2.gz GPJOAPXRXCCUKH-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259372 925271594 /nfs/dbraw/zinc/27/15/94/925271594.db2.gz GPJOAPXRXCCUKH-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259372 925271598 /nfs/dbraw/zinc/27/15/98/925271598.db2.gz GPJOAPXRXCCUKH-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259372 925271602 /nfs/dbraw/zinc/27/16/02/925271602.db2.gz GPJOAPXRXCCUKH-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259372 925271604 /nfs/dbraw/zinc/27/16/04/925271604.db2.gz GPJOAPXRXCCUKH-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC[C@@H](CNC(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001405264070 925273134 /nfs/dbraw/zinc/27/31/34/925273134.db2.gz DBFLZJCYPPKGHM-QMMMGPOBSA-N 1 1 308.346 -1.053 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001405270431 925274296 /nfs/dbraw/zinc/27/42/96/925274296.db2.gz JEGFVOMMEUHLCT-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001405271182 925274465 /nfs/dbraw/zinc/27/44/65/925274465.db2.gz BLFZAWZAFPSTKZ-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001405276281 925276104 /nfs/dbraw/zinc/27/61/04/925276104.db2.gz AZLQRQKAWPHWID-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001405276921 925276297 /nfs/dbraw/zinc/27/62/97/925276297.db2.gz BHUHMSPTNWAWMG-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001405274331 925276322 /nfs/dbraw/zinc/27/63/22/925276322.db2.gz UXIKTXCLSQPGGP-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CC ZINC001405282588 925277575 /nfs/dbraw/zinc/27/75/75/925277575.db2.gz DIJQUMKZMWUIPL-ZJUUUORDSA-N 1 1 309.374 -1.036 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnc[nH]c2=O)C1 ZINC001405286560 925277625 /nfs/dbraw/zinc/27/76/25/925277625.db2.gz PYTDILXHFDMSSS-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001405288492 925280338 /nfs/dbraw/zinc/28/03/38/925280338.db2.gz KCANDXNGPYUNKZ-WCBMZHEXSA-N 1 1 322.373 -1.326 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001405300396 925281682 /nfs/dbraw/zinc/28/16/82/925281682.db2.gz DRQNKJPPXFOVMH-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300396 925281691 /nfs/dbraw/zinc/28/16/91/925281691.db2.gz DRQNKJPPXFOVMH-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300396 925281697 /nfs/dbraw/zinc/28/16/97/925281697.db2.gz DRQNKJPPXFOVMH-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1)[NH+](C)C ZINC001405303834 925282514 /nfs/dbraw/zinc/28/25/14/925282514.db2.gz IJZGEAIXDCRGIS-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1)[NH+](C)C ZINC001405303834 925282522 /nfs/dbraw/zinc/28/25/22/925282522.db2.gz IJZGEAIXDCRGIS-ZJUUUORDSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001405304851 925282970 /nfs/dbraw/zinc/28/29/70/925282970.db2.gz LCJJSQXGSYDYRH-UWVGGRQHSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1nnn(C)n1 ZINC001405311367 925285218 /nfs/dbraw/zinc/28/52/18/925285218.db2.gz ARFBMHXKECACBM-SECBINFHSA-N 1 1 322.329 -2.378 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)NC(=O)c1ncn[nH]1 ZINC001405309629 925285235 /nfs/dbraw/zinc/28/52/35/925285235.db2.gz POJLLAOPPUQWMD-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)NC(=O)c1nc[nH]n1 ZINC001405309629 925285245 /nfs/dbraw/zinc/28/52/45/925285245.db2.gz POJLLAOPPUQWMD-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001405319577 925286908 /nfs/dbraw/zinc/28/69/08/925286908.db2.gz CDBJBCNQBQOLPM-ZYHUDNBSSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001405312694 925287535 /nfs/dbraw/zinc/28/75/35/925287535.db2.gz WEVDXPPGBHTEEE-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ncc[nH]2)C1 ZINC001405325966 925288895 /nfs/dbraw/zinc/28/88/95/925288895.db2.gz CUKLVNVKDPFJTH-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001405334866 925290506 /nfs/dbraw/zinc/29/05/06/925290506.db2.gz LRFLZORHFCWSLI-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001405349042 925294096 /nfs/dbraw/zinc/29/40/96/925294096.db2.gz RRGWGRLNQHTZTD-ZOWXZIJZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCn2ccnc2)C1 ZINC001405344231 925294183 /nfs/dbraw/zinc/29/41/83/925294183.db2.gz MIPUYRLCWNLVFU-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cccnn1 ZINC001405366955 925298754 /nfs/dbraw/zinc/29/87/54/925298754.db2.gz WINGEOPWMQQYCC-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001405372670 925300108 /nfs/dbraw/zinc/30/01/08/925300108.db2.gz RDKYVIGYHQSKBQ-JTQLQIEISA-N 1 1 321.389 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376168 925300774 /nfs/dbraw/zinc/30/07/74/925300774.db2.gz PDJVXRJDCGDGLG-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376168 925300780 /nfs/dbraw/zinc/30/07/80/925300780.db2.gz PDJVXRJDCGDGLG-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001405376294 925301091 /nfs/dbraw/zinc/30/10/91/925301091.db2.gz ZREHUBGDAMPVPH-DTWKUNHWSA-N 1 1 311.346 -2.489 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405377985 925301332 /nfs/dbraw/zinc/30/13/32/925301332.db2.gz UUJNRNXVVMVZPL-CIQGVGRVSA-N 1 1 313.398 -1.188 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001405375931 925301753 /nfs/dbraw/zinc/30/17/53/925301753.db2.gz NEQKVYDHNXRXKX-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001405380539 925302307 /nfs/dbraw/zinc/30/23/07/925302307.db2.gz FUDYGSBBIZLWFF-WDEREUQCSA-N 1 1 309.370 -1.360 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)CN1CCCC1 ZINC001405380136 925302365 /nfs/dbraw/zinc/30/23/65/925302365.db2.gz XINKQIMHYCEABT-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001405380485 925303270 /nfs/dbraw/zinc/30/32/70/925303270.db2.gz GAZLJYCWKARBHV-VHSXEESVSA-N 1 1 323.353 -2.072 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001405392775 925305767 /nfs/dbraw/zinc/30/57/67/925305767.db2.gz NBNXTQSRVRYQSD-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001405399196 925306001 /nfs/dbraw/zinc/30/60/01/925306001.db2.gz SMIVOPGEZZSTFM-JQWIXIFHSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001405404637 925307309 /nfs/dbraw/zinc/30/73/09/925307309.db2.gz YVIUTACTJKFXKP-LLVKDONJSA-N 1 1 321.341 -1.923 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001405575553 925315887 /nfs/dbraw/zinc/31/58/87/925315887.db2.gz XHFQMKPSERPFCU-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001405582061 925317098 /nfs/dbraw/zinc/31/70/98/925317098.db2.gz OPWVTPVTDKRGQN-MWLCHTKSSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CNC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405598625 925319926 /nfs/dbraw/zinc/31/99/26/925319926.db2.gz KGBZUXSUPOEPCZ-UWVGGRQHSA-N 1 1 315.374 -2.458 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627298 925324627 /nfs/dbraw/zinc/32/46/27/925324627.db2.gz XYXHOQGQCSWVNV-ONGXEEELSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627298 925324638 /nfs/dbraw/zinc/32/46/38/925324638.db2.gz XYXHOQGQCSWVNV-ONGXEEELSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnon1 ZINC001405644750 925326865 /nfs/dbraw/zinc/32/68/65/925326865.db2.gz MBYQEOZHZFMGJO-VHSXEESVSA-N 1 1 311.342 -1.430 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001405656233 925327605 /nfs/dbraw/zinc/32/76/05/925327605.db2.gz WDBWPMWGRVKPII-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)CCC[NH+](C)C ZINC001405656724 925328139 /nfs/dbraw/zinc/32/81/39/925328139.db2.gz SORMTKCYNYCCRP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001405662587 925329948 /nfs/dbraw/zinc/32/99/48/925329948.db2.gz FRFQXOUEXOXSPS-UWVGGRQHSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)N(C)C(=O)Cn1ncnn1 ZINC001405801188 925335698 /nfs/dbraw/zinc/33/56/98/925335698.db2.gz AJDVMKLHVWYYST-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)N(C)C(=O)Cn1ncnn1 ZINC001405801157 925336145 /nfs/dbraw/zinc/33/61/45/925336145.db2.gz AJDVMKLHVWYYST-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1ccn[nH]1 ZINC001405796180 925336390 /nfs/dbraw/zinc/33/63/90/925336390.db2.gz KWKGBUQFZDUWQE-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CS(C)(=O)=O ZINC001405797984 925336456 /nfs/dbraw/zinc/33/64/56/925336456.db2.gz VIMLYOFHPMJQJS-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001405847343 925336818 /nfs/dbraw/zinc/33/68/18/925336818.db2.gz LBRNNMKZYHCEKX-ZJUUUORDSA-N 1 1 309.374 -1.225 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001405849505 925337390 /nfs/dbraw/zinc/33/73/90/925337390.db2.gz NNFISJNUTMWZMZ-SNVBAGLBSA-N 1 1 323.401 -1.519 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCCC1)C(=O)Cn1cnnn1 ZINC001406063065 925342130 /nfs/dbraw/zinc/34/21/30/925342130.db2.gz FMSVZMLMVWJWNQ-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCCC1)C(=O)Cn1cnnn1 ZINC001406063065 925342141 /nfs/dbraw/zinc/34/21/41/925342141.db2.gz FMSVZMLMVWJWNQ-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001406120205 925344583 /nfs/dbraw/zinc/34/45/83/925344583.db2.gz DCGBWFLLALBLBG-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001406120205 925344592 /nfs/dbraw/zinc/34/45/92/925344592.db2.gz DCGBWFLLALBLBG-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)Cn1ncnn1 ZINC001406102267 925345319 /nfs/dbraw/zinc/34/53/19/925345319.db2.gz MWUIIQSGLYNUCP-LBPRGKRZSA-N 1 1 322.373 -1.679 20 0 DAADMO C[C@@H](CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001406104230 925345904 /nfs/dbraw/zinc/34/59/04/925345904.db2.gz GKRJAJLRDJTBGA-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@@H](CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001406104230 925345913 /nfs/dbraw/zinc/34/59/13/925345913.db2.gz GKRJAJLRDJTBGA-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001406103352 925345989 /nfs/dbraw/zinc/34/59/89/925345989.db2.gz XGYYXACZTORJKI-AAEUAGOBSA-N 1 1 319.427 -1.038 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001406103352 925346000 /nfs/dbraw/zinc/34/60/00/925346000.db2.gz XGYYXACZTORJKI-AAEUAGOBSA-N 1 1 319.427 -1.038 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001406105465 925346564 /nfs/dbraw/zinc/34/65/64/925346564.db2.gz XSNJORKXCYQSOI-SNVBAGLBSA-N 1 1 302.375 -1.645 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001406105465 925346569 /nfs/dbraw/zinc/34/65/69/925346569.db2.gz XSNJORKXCYQSOI-SNVBAGLBSA-N 1 1 302.375 -1.645 20 0 DAADMO CO[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1CC1 ZINC001406096487 925346607 /nfs/dbraw/zinc/34/66/07/925346607.db2.gz MUCXERWBAXJKJU-NSHDSACASA-N 1 1 300.359 -1.004 20 0 DAADMO CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1CC1 ZINC001406096487 925346613 /nfs/dbraw/zinc/34/66/13/925346613.db2.gz MUCXERWBAXJKJU-NSHDSACASA-N 1 1 300.359 -1.004 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001406161882 925347177 /nfs/dbraw/zinc/34/71/77/925347177.db2.gz BCACNSICBFBVRU-SNVBAGLBSA-N 1 1 322.431 -1.468 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001406161882 925347187 /nfs/dbraw/zinc/34/71/87/925347187.db2.gz BCACNSICBFBVRU-SNVBAGLBSA-N 1 1 322.431 -1.468 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406137187 925347259 /nfs/dbraw/zinc/34/72/59/925347259.db2.gz CTVXCGYZMUKBMC-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406137187 925347265 /nfs/dbraw/zinc/34/72/65/925347265.db2.gz CTVXCGYZMUKBMC-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406133291 925347661 /nfs/dbraw/zinc/34/76/61/925347661.db2.gz IOLIIMHOOHPFTQ-SECBINFHSA-N 1 1 304.347 -1.767 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406133291 925347672 /nfs/dbraw/zinc/34/76/72/925347672.db2.gz IOLIIMHOOHPFTQ-SECBINFHSA-N 1 1 304.347 -1.767 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001406130767 925347974 /nfs/dbraw/zinc/34/79/74/925347974.db2.gz XMHDPQZMYZCIEC-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001406130767 925347985 /nfs/dbraw/zinc/34/79/85/925347985.db2.gz XMHDPQZMYZCIEC-MRVPVSSYSA-N 1 1 311.346 -1.300 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001406174651 925348219 /nfs/dbraw/zinc/34/82/19/925348219.db2.gz MALULSVVGNMYMV-UHFFFAOYSA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001406137821 925348357 /nfs/dbraw/zinc/34/83/57/925348357.db2.gz FOOVDFXZDKIOAQ-QMMMGPOBSA-N 1 1 319.387 -1.558 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001406137818 925348693 /nfs/dbraw/zinc/34/86/93/925348693.db2.gz FOOVDFXZDKIOAQ-MRVPVSSYSA-N 1 1 319.387 -1.558 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001406165370 925349100 /nfs/dbraw/zinc/34/91/00/925349100.db2.gz FVECTFVSSFNXAE-UHFFFAOYSA-N 1 1 319.387 -1.069 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001406165370 925349111 /nfs/dbraw/zinc/34/91/11/925349111.db2.gz FVECTFVSSFNXAE-UHFFFAOYSA-N 1 1 319.387 -1.069 20 0 DAADMO COCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001406187313 925349754 /nfs/dbraw/zinc/34/97/54/925349754.db2.gz HBUNJDRHZXYENW-VIFPVBQESA-N 1 1 300.363 -1.359 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001406191595 925350597 /nfs/dbraw/zinc/35/05/97/925350597.db2.gz XAPZJCOLWOWRNS-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnccn2)n1 ZINC001406194104 925351196 /nfs/dbraw/zinc/35/11/96/925351196.db2.gz NHZIXPQZEVVKBX-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)c1ccc(=O)[nH]n1 ZINC001406188358 925351589 /nfs/dbraw/zinc/35/15/89/925351589.db2.gz GMADNZJYTTYPKN-SSDOTTSWSA-N 1 1 310.339 -1.086 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001406182617 925351698 /nfs/dbraw/zinc/35/16/98/925351698.db2.gz DTMXVZQJAYXBSO-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)nn1 ZINC001406188049 925351724 /nfs/dbraw/zinc/35/17/24/925351724.db2.gz LCTAYAJNMRHIIV-VXGBXAGGSA-N 1 1 313.358 -1.720 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)C1 ZINC001406197247 925352107 /nfs/dbraw/zinc/35/21/07/925352107.db2.gz AARWELPVBBLHAD-LLVKDONJSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001406198327 925352450 /nfs/dbraw/zinc/35/24/50/925352450.db2.gz BCLWSOLGXFQJDF-IONNQARKSA-N 1 1 301.372 -1.233 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n2cncn2)[nH]1 ZINC001406199848 925353430 /nfs/dbraw/zinc/35/34/30/925353430.db2.gz AKXNIAOIMJMPIC-WCBMZHEXSA-N 1 1 308.346 -1.467 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C1=COCCO1 ZINC001406208425 925355128 /nfs/dbraw/zinc/35/51/28/925355128.db2.gz WJUOUQMJLAPIEZ-JTQLQIEISA-N 1 1 324.341 -1.537 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC001406206254 925355811 /nfs/dbraw/zinc/35/58/11/925355811.db2.gz HRSTWSQIBXARAG-ONGXEEELSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2cnn(C)c2)n1 ZINC001406209264 925356299 /nfs/dbraw/zinc/35/62/99/925356299.db2.gz KFWFNRMCSDJRRX-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)cs1 ZINC001406210674 925356783 /nfs/dbraw/zinc/35/67/83/925356783.db2.gz IKQDJMYBQFSSFZ-JTQLQIEISA-N 1 1 311.371 -1.295 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc(C)o2)nn1 ZINC001406210041 925357082 /nfs/dbraw/zinc/35/70/82/925357082.db2.gz CVTUQIYYBGNCHM-LLVKDONJSA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1ccn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406208961 925357493 /nfs/dbraw/zinc/35/74/93/925357493.db2.gz KPMYLPHCALDGJU-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001406214622 925358027 /nfs/dbraw/zinc/35/80/27/925358027.db2.gz PRLOCASMMHRMQN-NXEZZACHSA-N 1 1 312.326 -1.102 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cncnc1)c1nnnn1C ZINC001406217426 925358740 /nfs/dbraw/zinc/35/87/40/925358740.db2.gz PIXGLWLQBVGSRJ-SCZZXKLOSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001406215568 925359792 /nfs/dbraw/zinc/35/97/92/925359792.db2.gz OCZZFNBBLYUMCE-ZJUUUORDSA-N 1 1 310.354 -1.056 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)n1cccn1 ZINC001406220944 925359981 /nfs/dbraw/zinc/35/99/81/925359981.db2.gz PXTGJULCQHPMBU-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cncnc1)c1nnnn1C ZINC001406217438 925360411 /nfs/dbraw/zinc/36/04/11/925360411.db2.gz PIXGLWLQBVGSRJ-WCBMZHEXSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1)c1nnnn1C ZINC001406224270 925361230 /nfs/dbraw/zinc/36/12/30/925361230.db2.gz WQLODPKMDSCCTA-MWLCHTKSSA-N 1 1 322.373 -1.686 20 0 DAADMO Cc1noc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001406223403 925361372 /nfs/dbraw/zinc/36/13/72/925361372.db2.gz YNHZGFRDDGIARO-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001406223403 925361382 /nfs/dbraw/zinc/36/13/82/925361382.db2.gz YNHZGFRDDGIARO-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1)c1nnnn1C ZINC001406224267 925361494 /nfs/dbraw/zinc/36/14/94/925361494.db2.gz WQLODPKMDSCCTA-KOLCDFICSA-N 1 1 322.373 -1.686 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@](C)(O)C2CC2)n1 ZINC001406224615 925361763 /nfs/dbraw/zinc/36/17/63/925361763.db2.gz XZWMQBUIATVMQR-GXTWGEPZSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1ocnc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406221577 925362483 /nfs/dbraw/zinc/36/24/83/925362483.db2.gz TVFQEVMZPFTRRQ-CBAPKCEASA-N 1 1 309.330 -1.052 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001406225448 925363583 /nfs/dbraw/zinc/36/35/83/925363583.db2.gz ADWCNRMLSHHUFB-VHSXEESVSA-N 1 1 313.358 -1.141 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001406228149 925364594 /nfs/dbraw/zinc/36/45/94/925364594.db2.gz LBPYLLWHUOQTDJ-KOLCDFICSA-N 1 1 311.342 -1.495 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(CC)n2)n1 ZINC001406231802 925366003 /nfs/dbraw/zinc/36/60/03/925366003.db2.gz ZONRJBFHCSYDFZ-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)c(C)o1 ZINC001406228984 925366201 /nfs/dbraw/zinc/36/62/01/925366201.db2.gz ATVTYQZWCJNCPU-JTQLQIEISA-N 1 1 313.358 -1.213 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(CC)n2)n1 ZINC001406231788 925366267 /nfs/dbraw/zinc/36/62/67/925366267.db2.gz ZONRJBFHCSYDFZ-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001406234471 925368388 /nfs/dbraw/zinc/36/83/88/925368388.db2.gz HHHZJUGJEUERLD-NXEZZACHSA-N 1 1 310.358 -1.467 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001406237199 925369352 /nfs/dbraw/zinc/36/93/52/925369352.db2.gz DLZCZQODXJZUQF-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001406238364 925369840 /nfs/dbraw/zinc/36/98/40/925369840.db2.gz GWODMUVTDKMOEF-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001406249176 925374872 /nfs/dbraw/zinc/37/48/72/925374872.db2.gz SYXQBPCRIROTON-WPRPVWTQSA-N 1 1 319.387 -2.185 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001406250679 925375079 /nfs/dbraw/zinc/37/50/79/925375079.db2.gz UNEAQDATLNLIAF-CYBMUJFWSA-N 1 1 321.385 -1.105 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1ccon1)c1nnnn1C ZINC001406248053 925375201 /nfs/dbraw/zinc/37/52/01/925375201.db2.gz QVWUWLYFSQWAKT-ONGXEEELSA-N 1 1 323.357 -1.041 20 0 DAADMO Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406248389 925376066 /nfs/dbraw/zinc/37/60/66/925376066.db2.gz RPJCBZPOWKCWNK-ZCFIWIBFSA-N 1 1 323.275 -1.097 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)nn1 ZINC001406253020 925377208 /nfs/dbraw/zinc/37/72/08/925377208.db2.gz ZDBSTVVQXGUSKU-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)nn1 ZINC001406253024 925377644 /nfs/dbraw/zinc/37/76/44/925377644.db2.gz ZDBSTVVQXGUSKU-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)no1 ZINC001406251475 925378373 /nfs/dbraw/zinc/37/83/73/925378373.db2.gz GOTCHIREZQCSQB-QWRGUYRKSA-N 1 1 311.342 -1.427 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001406255046 925378969 /nfs/dbraw/zinc/37/89/69/925378969.db2.gz NJMYEPKYKCTGSO-QMMMGPOBSA-N 1 1 309.330 -1.359 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1C ZINC001406253897 925379042 /nfs/dbraw/zinc/37/90/42/925379042.db2.gz AYPGZILQZMNYKZ-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001406255044 925380017 /nfs/dbraw/zinc/38/00/17/925380017.db2.gz NJMYEPKYKCTGSO-MRVPVSSYSA-N 1 1 309.330 -1.359 20 0 DAADMO Cn1cnnc1CNC[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406255351 925380351 /nfs/dbraw/zinc/38/03/51/925380351.db2.gz ZFTSASUOLIBHGT-GFCCVEGCSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406255442 925380517 /nfs/dbraw/zinc/38/05/17/925380517.db2.gz LCBUYTIWTFMQRH-ONGXEEELSA-N 1 1 311.342 -1.427 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)NC1CCCC1 ZINC001406257404 925380964 /nfs/dbraw/zinc/38/09/64/925380964.db2.gz PXPYGEPCUWYCGH-SNVBAGLBSA-N 1 1 310.358 -1.456 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406258092 925381766 /nfs/dbraw/zinc/38/17/66/925381766.db2.gz XMWHRYDKJMTZKD-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406258095 925381935 /nfs/dbraw/zinc/38/19/35/925381935.db2.gz XMWHRYDKJMTZKD-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406260273 925383377 /nfs/dbraw/zinc/38/33/77/925383377.db2.gz WSFIOTKHHHUHIO-NWDGAFQWSA-N 1 1 313.358 -1.643 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001406259979 925383747 /nfs/dbraw/zinc/38/37/47/925383747.db2.gz VPPMQMDYXXOEBH-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)nn1 ZINC001406261257 925384028 /nfs/dbraw/zinc/38/40/28/925384028.db2.gz UZYYHCMSHZZJCF-FZMZJTMJSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001406262897 925384570 /nfs/dbraw/zinc/38/45/70/925384570.db2.gz XVFQLXOFIVUDCO-MRVPVSSYSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001406260083 925384810 /nfs/dbraw/zinc/38/48/10/925384810.db2.gz LKNFFMRWVBTDCA-NSHDSACASA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001406264393 925386203 /nfs/dbraw/zinc/38/62/03/925386203.db2.gz URMGSFFIFXDXCZ-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CCC(=O)NC1 ZINC001406266085 925386567 /nfs/dbraw/zinc/38/65/67/925386567.db2.gz WPBTYUIDONBTCK-IAQYHMDHSA-N 1 1 321.381 -1.040 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)n1 ZINC001406272097 925388284 /nfs/dbraw/zinc/38/82/84/925388284.db2.gz POCCXHQNKAZUCF-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001406270262 925389113 /nfs/dbraw/zinc/38/91/13/925389113.db2.gz HDISFUAECJWBQI-JTQLQIEISA-N 1 1 312.374 -1.704 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001406273610 925389358 /nfs/dbraw/zinc/38/93/58/925389358.db2.gz JTSQBDSRMXYLBQ-UWVGGRQHSA-N 1 1 310.358 -1.506 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001406273610 925389364 /nfs/dbraw/zinc/38/93/64/925389364.db2.gz JTSQBDSRMXYLBQ-UWVGGRQHSA-N 1 1 310.358 -1.506 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cccn(C)c1=O ZINC001406274538 925389431 /nfs/dbraw/zinc/38/94/31/925389431.db2.gz GDMGMCVEKRWPLX-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001406273627 925389445 /nfs/dbraw/zinc/38/94/45/925389445.db2.gz JTSQBDSRMXYLBQ-ZJUUUORDSA-N 1 1 310.358 -1.506 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001406273627 925389456 /nfs/dbraw/zinc/38/94/56/925389456.db2.gz JTSQBDSRMXYLBQ-ZJUUUORDSA-N 1 1 310.358 -1.506 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)n1 ZINC001406273562 925390902 /nfs/dbraw/zinc/39/09/02/925390902.db2.gz GZVSLPYMVOLEPB-NEPJUHHUSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1)c1nncn1C ZINC001406287656 925393431 /nfs/dbraw/zinc/39/34/31/925393431.db2.gz XQZFYLKKNKDFQX-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406286633 925394349 /nfs/dbraw/zinc/39/43/49/925394349.db2.gz RJYIUIVKPUEGMK-QWRGUYRKSA-N 1 1 311.342 -1.353 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001406287315 925394399 /nfs/dbraw/zinc/39/43/99/925394399.db2.gz MGQZANIATGLTBH-SNVBAGLBSA-N 1 1 305.356 -1.324 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001406283783 925395179 /nfs/dbraw/zinc/39/51/79/925395179.db2.gz KITGLHIKJVGHNV-MFKMUULPSA-N 1 1 321.385 -1.016 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001406284432 925395209 /nfs/dbraw/zinc/39/52/09/925395209.db2.gz UJYKZSRMOFGJON-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001406284432 925395219 /nfs/dbraw/zinc/39/52/19/925395219.db2.gz UJYKZSRMOFGJON-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001406287815 925395386 /nfs/dbraw/zinc/39/53/86/925395386.db2.gz ZKGBRTBCYFKUJQ-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406290652 925396879 /nfs/dbraw/zinc/39/68/79/925396879.db2.gz VFFQKNAPBKVWER-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNCc1nnnn1C ZINC001406299695 925400991 /nfs/dbraw/zinc/40/09/91/925400991.db2.gz XHPLTWZBRGWAQP-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC001406322781 925403060 /nfs/dbraw/zinc/40/30/60/925403060.db2.gz RUUNYVLNWVHQAN-MFKMUULPSA-N 1 1 321.385 -1.081 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001406354324 925403353 /nfs/dbraw/zinc/40/33/53/925403353.db2.gz RIQGOUKWXHQRGR-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)COCc1ccnn1C ZINC001406367002 925404647 /nfs/dbraw/zinc/40/46/47/925404647.db2.gz VURQMWWRJAXXMJ-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001406372107 925406314 /nfs/dbraw/zinc/40/63/14/925406314.db2.gz BCOXIESKQYWVMH-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406373259 925406761 /nfs/dbraw/zinc/40/67/61/925406761.db2.gz KRSZXVUAMQVGCG-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406375671 925407143 /nfs/dbraw/zinc/40/71/43/925407143.db2.gz FZORBHUSRFPGQH-ZJUUUORDSA-N 1 1 324.389 -1.299 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001406378032 925408185 /nfs/dbraw/zinc/40/81/85/925408185.db2.gz GHWHBFRBIBMGTL-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCNC(=O)C2)nc1 ZINC001406389473 925411892 /nfs/dbraw/zinc/41/18/92/925411892.db2.gz ZZURQLWONIMYQO-GFCCVEGCSA-N 1 1 320.397 -1.189 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406406938 925412617 /nfs/dbraw/zinc/41/26/17/925412617.db2.gz HFMBXOVGSWQVAT-SFYZADRCSA-N 1 1 319.391 -2.258 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001406398821 925413086 /nfs/dbraw/zinc/41/30/86/925413086.db2.gz PKFPCSOUWPXUJE-ZJUUUORDSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001406398821 925413092 /nfs/dbraw/zinc/41/30/92/925413092.db2.gz PKFPCSOUWPXUJE-ZJUUUORDSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001406398821 925413099 /nfs/dbraw/zinc/41/30/99/925413099.db2.gz PKFPCSOUWPXUJE-ZJUUUORDSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001406398821 925413103 /nfs/dbraw/zinc/41/31/03/925413103.db2.gz PKFPCSOUWPXUJE-ZJUUUORDSA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001406398821 925413108 /nfs/dbraw/zinc/41/31/08/925413108.db2.gz PKFPCSOUWPXUJE-ZJUUUORDSA-N 1 1 310.358 -1.554 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406406937 925413391 /nfs/dbraw/zinc/41/33/91/925413391.db2.gz HFMBXOVGSWQVAT-HTQZYQBOSA-N 1 1 319.391 -2.258 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001406426964 925415100 /nfs/dbraw/zinc/41/51/00/925415100.db2.gz WQTMRHYWHXWHGQ-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)COCc1nncn1C ZINC001406416645 925415154 /nfs/dbraw/zinc/41/51/54/925415154.db2.gz ALAFOSJVPKWSAN-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001406415065 925415260 /nfs/dbraw/zinc/41/52/60/925415260.db2.gz RSMRIZBBVHSZRO-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001406470693 925416012 /nfs/dbraw/zinc/41/60/12/925416012.db2.gz ZLRLZHYTABRGST-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCCC1=O ZINC001406449781 925416604 /nfs/dbraw/zinc/41/66/04/925416604.db2.gz OPOVYOYOHMYVJW-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001406489353 925417651 /nfs/dbraw/zinc/41/76/51/925417651.db2.gz WQMHSJVNZVGEJO-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCOCC1=O)c1nncn1C ZINC001406477640 925417914 /nfs/dbraw/zinc/41/79/14/925417914.db2.gz AYKKGSBQHPMVCQ-WDEREUQCSA-N 1 1 324.385 -1.171 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001406521437 925419750 /nfs/dbraw/zinc/41/97/50/925419750.db2.gz UIDPOMHDRBEXPM-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406534032 925421840 /nfs/dbraw/zinc/42/18/40/925421840.db2.gz FOBJSICTZMFUAO-IONNQARKSA-N 1 1 319.387 -1.090 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001406557283 925423151 /nfs/dbraw/zinc/42/31/51/925423151.db2.gz ZYYIUPJKYIDONY-QMMMGPOBSA-N 1 1 323.357 -1.351 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001406617892 925423898 /nfs/dbraw/zinc/42/38/98/925423898.db2.gz SBWCQNLBYKUQCF-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001406617892 925423907 /nfs/dbraw/zinc/42/39/07/925423907.db2.gz SBWCQNLBYKUQCF-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406589613 925424537 /nfs/dbraw/zinc/42/45/37/925424537.db2.gz YFAHWRGADJHMFD-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406589613 925424544 /nfs/dbraw/zinc/42/45/44/925424544.db2.gz YFAHWRGADJHMFD-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001406614116 925424863 /nfs/dbraw/zinc/42/48/63/925424863.db2.gz PFRRUGFQKAXUAU-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001406614116 925424869 /nfs/dbraw/zinc/42/48/69/925424869.db2.gz PFRRUGFQKAXUAU-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1cnnn1C ZINC001406617441 925424971 /nfs/dbraw/zinc/42/49/71/925424971.db2.gz OGTAIKDOMIVFCT-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001406621572 925425015 /nfs/dbraw/zinc/42/50/15/925425015.db2.gz SLHNBNUHHRUMNX-DTWKUNHWSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001406621572 925425024 /nfs/dbraw/zinc/42/50/24/925425024.db2.gz SLHNBNUHHRUMNX-DTWKUNHWSA-N 1 1 322.387 -1.920 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001406614125 925425139 /nfs/dbraw/zinc/42/51/39/925425139.db2.gz PJAXDWJGJDEEPR-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001406614125 925425140 /nfs/dbraw/zinc/42/51/40/925425140.db2.gz PJAXDWJGJDEEPR-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406643338 925425877 /nfs/dbraw/zinc/42/58/77/925425877.db2.gz AAZYDROBYJBWFF-ONGXEEELSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406643338 925425881 /nfs/dbraw/zinc/42/58/81/925425881.db2.gz AAZYDROBYJBWFF-ONGXEEELSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633485 925426248 /nfs/dbraw/zinc/42/62/48/925426248.db2.gz CRKWVTJSAKGBEX-QWRGUYRKSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633485 925426255 /nfs/dbraw/zinc/42/62/55/925426255.db2.gz CRKWVTJSAKGBEX-QWRGUYRKSA-N 1 1 313.402 -1.929 20 0 DAADMO COc1cc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406624892 925426269 /nfs/dbraw/zinc/42/62/69/925426269.db2.gz ZRILMYUWZCVGHY-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001406624892 925426272 /nfs/dbraw/zinc/42/62/72/925426272.db2.gz ZRILMYUWZCVGHY-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001406633551 925426372 /nfs/dbraw/zinc/42/63/72/925426372.db2.gz JVCNBGNSJDUVDV-ZJUUUORDSA-N 1 1 305.400 -1.254 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001406639740 925426394 /nfs/dbraw/zinc/42/63/94/925426394.db2.gz UIWARBNIMPYAJN-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001406639740 925426399 /nfs/dbraw/zinc/42/63/99/925426399.db2.gz UIWARBNIMPYAJN-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H](C)CC(N)=O ZINC001406646486 925426443 /nfs/dbraw/zinc/42/64/43/925426443.db2.gz LOJSGUYDDJBDAQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641699 925426488 /nfs/dbraw/zinc/42/64/88/925426488.db2.gz NKTIVTSDCUTDKU-DTWKUNHWSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641699 925426489 /nfs/dbraw/zinc/42/64/89/925426489.db2.gz NKTIVTSDCUTDKU-DTWKUNHWSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653105 925426551 /nfs/dbraw/zinc/42/65/51/925426551.db2.gz OFIKEGMQBZKWFA-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653105 925426554 /nfs/dbraw/zinc/42/65/54/925426554.db2.gz OFIKEGMQBZKWFA-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406653827 925426652 /nfs/dbraw/zinc/42/66/52/925426652.db2.gz PLXCHTGTJBLGED-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406653827 925426656 /nfs/dbraw/zinc/42/66/56/925426656.db2.gz PLXCHTGTJBLGED-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406643333 925426680 /nfs/dbraw/zinc/42/66/80/925426680.db2.gz AAZYDROBYJBWFF-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406643333 925426683 /nfs/dbraw/zinc/42/66/83/925426683.db2.gz AAZYDROBYJBWFF-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406659653 925426790 /nfs/dbraw/zinc/42/67/90/925426790.db2.gz AQZHVCMVDOUSFH-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406659653 925426798 /nfs/dbraw/zinc/42/67/98/925426798.db2.gz AQZHVCMVDOUSFH-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406633401 925426836 /nfs/dbraw/zinc/42/68/36/925426836.db2.gz CBQBGVRZKIRRPC-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406653825 925427411 /nfs/dbraw/zinc/42/74/11/925427411.db2.gz PLXCHTGTJBLGED-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406653825 925427420 /nfs/dbraw/zinc/42/74/20/925427420.db2.gz PLXCHTGTJBLGED-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406659649 925427435 /nfs/dbraw/zinc/42/74/35/925427435.db2.gz AQZHVCMVDOUSFH-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406659649 925427440 /nfs/dbraw/zinc/42/74/40/925427440.db2.gz AQZHVCMVDOUSFH-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406709348 925428216 /nfs/dbraw/zinc/42/82/16/925428216.db2.gz UXMYGFYJTGSKJF-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CCNC(N)=O ZINC001406686585 925428744 /nfs/dbraw/zinc/42/87/44/925428744.db2.gz GZCOFWQPQBPIRA-JTQLQIEISA-N 1 1 314.390 -1.494 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 ZINC001406761442 925431098 /nfs/dbraw/zinc/43/10/98/925431098.db2.gz UTFWZLDZDCGIPO-WDEREUQCSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 ZINC001406761440 925431348 /nfs/dbraw/zinc/43/13/48/925431348.db2.gz UTFWZLDZDCGIPO-QWRGUYRKSA-N 1 1 308.342 -1.092 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)[nH]1 ZINC001406830396 925434769 /nfs/dbraw/zinc/43/47/69/925434769.db2.gz KSOICBISCVOABE-NSHDSACASA-N 1 1 321.385 -1.129 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)[nH]1 ZINC001406830396 925434774 /nfs/dbraw/zinc/43/47/74/925434774.db2.gz KSOICBISCVOABE-NSHDSACASA-N 1 1 321.385 -1.129 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCOC2)n1 ZINC001406832494 925434852 /nfs/dbraw/zinc/43/48/52/925434852.db2.gz QXYDSCWVZFDFBS-MNOVXSKESA-N 1 1 322.369 -1.396 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001406846990 925436741 /nfs/dbraw/zinc/43/67/41/925436741.db2.gz IEXHQHUJWQMACU-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001406897183 925441551 /nfs/dbraw/zinc/44/15/51/925441551.db2.gz PCNDGNKLUNCMLM-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001406897183 925441559 /nfs/dbraw/zinc/44/15/59/925441559.db2.gz PCNDGNKLUNCMLM-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001406880513 925441791 /nfs/dbraw/zinc/44/17/91/925441791.db2.gz FYGWJRBCCOVHKU-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001406880513 925441794 /nfs/dbraw/zinc/44/17/94/925441794.db2.gz FYGWJRBCCOVHKU-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)nc1=O ZINC001406981973 925444895 /nfs/dbraw/zinc/44/48/95/925444895.db2.gz CVDPPFQTPFVKEQ-QMMMGPOBSA-N 1 1 308.342 -1.875 20 0 DAADMO C[C@@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O ZINC001406992857 925446452 /nfs/dbraw/zinc/44/64/52/925446452.db2.gz YLERIYRCYSLCBH-SNVBAGLBSA-N 1 1 323.397 -1.096 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001407033380 925446486 /nfs/dbraw/zinc/44/64/86/925446486.db2.gz PDYBJWFJMHMSED-UHFFFAOYSA-N 1 1 324.385 -1.147 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001407007892 925446814 /nfs/dbraw/zinc/44/68/14/925446814.db2.gz KKZOPZYQLLHJLT-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001407035280 925448221 /nfs/dbraw/zinc/44/82/21/925448221.db2.gz WEXSOSASKSQJBB-WCQYABFASA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407070788 925450113 /nfs/dbraw/zinc/45/01/13/925450113.db2.gz BCTWOXYBZSFWLB-JTQLQIEISA-N 1 1 311.386 -1.464 20 0 DAADMO CCNC(=O)CN1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001407074084 925451153 /nfs/dbraw/zinc/45/11/53/925451153.db2.gz HOPHHVOTDAHFMF-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)C(N)=O ZINC001407073541 925451391 /nfs/dbraw/zinc/45/13/91/925451391.db2.gz GBGFGEDXCYNMPE-KCJUWKMLSA-N 1 1 300.359 -2.110 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001407083476 925451626 /nfs/dbraw/zinc/45/16/26/925451626.db2.gz XGQMXWAKJVAVLO-NSHDSACASA-N 1 1 310.354 -1.456 20 0 DAADMO CN(CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO)S(C)(=O)=O ZINC001407151279 925454385 /nfs/dbraw/zinc/45/43/85/925454385.db2.gz WUBMWUDGRBYCIU-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156510 925454627 /nfs/dbraw/zinc/45/46/27/925454627.db2.gz BKGJLUBNNHXPAB-HZMBPMFUSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156510 925454630 /nfs/dbraw/zinc/45/46/30/925454630.db2.gz BKGJLUBNNHXPAB-HZMBPMFUSA-N 1 1 324.385 -1.703 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001407161079 925454707 /nfs/dbraw/zinc/45/47/07/925454707.db2.gz DUVSBYVIUWJQJR-LLVKDONJSA-N 1 1 308.404 -1.997 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001407128021 925455124 /nfs/dbraw/zinc/45/51/24/925455124.db2.gz NGKOTDGKDPNKQL-UHFFFAOYSA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001407172030 925456085 /nfs/dbraw/zinc/45/60/85/925456085.db2.gz JTPQJAMMGQKBSK-CMPLNLGQSA-N 1 1 322.431 -1.656 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001407169334 925456199 /nfs/dbraw/zinc/45/61/99/925456199.db2.gz GNRGUINLSJYYEG-ZDUSSCGKSA-N 1 1 309.374 -1.138 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001407169334 925456204 /nfs/dbraw/zinc/45/62/04/925456204.db2.gz GNRGUINLSJYYEG-ZDUSSCGKSA-N 1 1 309.374 -1.138 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)O)C1 ZINC001407173935 925456394 /nfs/dbraw/zinc/45/63/94/925456394.db2.gz YXDODPSLQFDXHW-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407164909 925456537 /nfs/dbraw/zinc/45/65/37/925456537.db2.gz NSTMMXWUXGWZGG-CQSZACIVSA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407164909 925456542 /nfs/dbraw/zinc/45/65/42/925456542.db2.gz NSTMMXWUXGWZGG-CQSZACIVSA-N 1 1 324.385 -1.702 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001407165972 925457098 /nfs/dbraw/zinc/45/70/98/925457098.db2.gz INKFMUNBUPQZPW-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001407165972 925457102 /nfs/dbraw/zinc/45/71/02/925457102.db2.gz INKFMUNBUPQZPW-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172915 925457160 /nfs/dbraw/zinc/45/71/60/925457160.db2.gz DHFACIGGZRDGOT-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172915 925457165 /nfs/dbraw/zinc/45/71/65/925457165.db2.gz DHFACIGGZRDGOT-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407180115 925457199 /nfs/dbraw/zinc/45/71/99/925457199.db2.gz RSQMUDQHVDAUHE-GZMMTYOYSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407180115 925457204 /nfs/dbraw/zinc/45/72/04/925457204.db2.gz RSQMUDQHVDAUHE-GZMMTYOYSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@@]1(NC(=O)Cc2cnoc2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407182419 925457236 /nfs/dbraw/zinc/45/72/36/925457236.db2.gz OZWANDSPXFBEPB-CYBMUJFWSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@@]1(NC(=O)Cc2cnoc2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407182419 925457242 /nfs/dbraw/zinc/45/72/42/925457242.db2.gz OZWANDSPXFBEPB-CYBMUJFWSA-N 1 1 309.326 -1.007 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001407184131 925457541 /nfs/dbraw/zinc/45/75/41/925457541.db2.gz XHJHDGDXLFZUAP-AWEZNQCLSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001407184131 925457547 /nfs/dbraw/zinc/45/75/47/925457547.db2.gz XHJHDGDXLFZUAP-AWEZNQCLSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001407165979 925457561 /nfs/dbraw/zinc/45/75/61/925457561.db2.gz INKFMUNBUPQZPW-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001407165979 925457567 /nfs/dbraw/zinc/45/75/67/925457567.db2.gz INKFMUNBUPQZPW-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001407184133 925457579 /nfs/dbraw/zinc/45/75/79/925457579.db2.gz XHJHDGDXLFZUAP-CQSZACIVSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001407184133 925457585 /nfs/dbraw/zinc/45/75/85/925457585.db2.gz XHJHDGDXLFZUAP-CQSZACIVSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001407175753 925457597 /nfs/dbraw/zinc/45/75/97/925457597.db2.gz LMTWXWLFSBWPTB-ZWNOBZJWSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001407190081 925458446 /nfs/dbraw/zinc/45/84/46/925458446.db2.gz ZOSDCBZDLGVDGH-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001407190081 925458455 /nfs/dbraw/zinc/45/84/55/925458455.db2.gz ZOSDCBZDLGVDGH-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407187095 925459233 /nfs/dbraw/zinc/45/92/33/925459233.db2.gz FIMTUWGSWWEQMR-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407187095 925459237 /nfs/dbraw/zinc/45/92/37/925459237.db2.gz FIMTUWGSWWEQMR-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CC(=O)NC(N)=O)C2)C1 ZINC001407186398 925459545 /nfs/dbraw/zinc/45/95/45/925459545.db2.gz TUVGJPDTOQKBAA-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407326422 925462140 /nfs/dbraw/zinc/46/21/40/925462140.db2.gz ROXXARVNJVHAGN-AWEZNQCLSA-N 1 1 323.353 -1.244 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407326422 925462145 /nfs/dbraw/zinc/46/21/45/925462145.db2.gz ROXXARVNJVHAGN-AWEZNQCLSA-N 1 1 323.353 -1.244 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001407327730 925462714 /nfs/dbraw/zinc/46/27/14/925462714.db2.gz IERWGZIUKSOWJX-GXTWGEPZSA-N 1 1 312.370 -1.557 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001407314293 925462784 /nfs/dbraw/zinc/46/27/84/925462784.db2.gz BPYCWBGOTYEAQA-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001407314293 925462791 /nfs/dbraw/zinc/46/27/91/925462791.db2.gz BPYCWBGOTYEAQA-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(C)CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001407304855 925462997 /nfs/dbraw/zinc/46/29/97/925462997.db2.gz QNCBDYWQQYCXCL-HZMBPMFUSA-N 1 1 321.385 -1.070 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1)NC1CC1 ZINC001407327585 925463325 /nfs/dbraw/zinc/46/33/25/925463325.db2.gz UQJKJVQDZDZDPR-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1)NC1CC1 ZINC001407327585 925463332 /nfs/dbraw/zinc/46/33/32/925463332.db2.gz UQJKJVQDZDZDPR-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001407323063 925463376 /nfs/dbraw/zinc/46/33/76/925463376.db2.gz SXMJVCHDZXNEIF-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001407323063 925463382 /nfs/dbraw/zinc/46/33/82/925463382.db2.gz SXMJVCHDZXNEIF-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001407341100 925464153 /nfs/dbraw/zinc/46/41/53/925464153.db2.gz HNDVVGVWFYARCW-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001407341100 925464156 /nfs/dbraw/zinc/46/41/56/925464156.db2.gz HNDVVGVWFYARCW-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001407344328 925464165 /nfs/dbraw/zinc/46/41/65/925464165.db2.gz CKCDDQABOVBRJT-ZANVPECISA-N 1 1 316.333 -1.503 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001407343780 925464510 /nfs/dbraw/zinc/46/45/10/925464510.db2.gz GJTKEWBAWMKXMN-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001407335144 925465260 /nfs/dbraw/zinc/46/52/60/925465260.db2.gz ZUPAJCVVLZKFMU-GFCCVEGCSA-N 1 1 307.416 -1.255 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001407335144 925465267 /nfs/dbraw/zinc/46/52/67/925465267.db2.gz ZUPAJCVVLZKFMU-GFCCVEGCSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407346286 925465296 /nfs/dbraw/zinc/46/52/96/925465296.db2.gz DEXZZTVHBQQISE-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407346286 925465304 /nfs/dbraw/zinc/46/53/04/925465304.db2.gz DEXZZTVHBQQISE-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407341881 925466011 /nfs/dbraw/zinc/46/60/11/925466011.db2.gz CVVHOLLXWYXARY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407341881 925466016 /nfs/dbraw/zinc/46/60/16/925466016.db2.gz CVVHOLLXWYXARY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345360 925466172 /nfs/dbraw/zinc/46/61/72/925466172.db2.gz JAGGXIFSUUBFER-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345360 925466175 /nfs/dbraw/zinc/46/61/75/925466175.db2.gz JAGGXIFSUUBFER-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccnnc3)C2)C1=O ZINC001407357183 925466829 /nfs/dbraw/zinc/46/68/29/925466829.db2.gz VFHAKSFFAAYKML-WFASDCNBSA-N 1 1 319.365 -1.126 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001407351248 925467008 /nfs/dbraw/zinc/46/70/08/925467008.db2.gz NVAJPWBQNFPZMZ-AWEZNQCLSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001407351248 925467017 /nfs/dbraw/zinc/46/70/17/925467017.db2.gz NVAJPWBQNFPZMZ-AWEZNQCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407356444 925467153 /nfs/dbraw/zinc/46/71/53/925467153.db2.gz FEYQXHNLYXECLW-AWEZNQCLSA-N 1 1 324.385 -1.953 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407356444 925467156 /nfs/dbraw/zinc/46/71/56/925467156.db2.gz FEYQXHNLYXECLW-AWEZNQCLSA-N 1 1 324.385 -1.953 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(C)nn1 ZINC001407351150 925467440 /nfs/dbraw/zinc/46/74/40/925467440.db2.gz CCRLQRMMQUFVKI-HNNXBMFYSA-N 1 1 321.381 -1.001 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(C)nn1 ZINC001407351150 925467449 /nfs/dbraw/zinc/46/74/49/925467449.db2.gz CCRLQRMMQUFVKI-HNNXBMFYSA-N 1 1 321.381 -1.001 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001407352060 925467778 /nfs/dbraw/zinc/46/77/78/925467778.db2.gz UGLOOKGYELVOQD-ZFWWWQNUSA-N 1 1 314.382 -1.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352544 925468273 /nfs/dbraw/zinc/46/82/73/925468273.db2.gz UHAXPECUTRLXEM-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352544 925468279 /nfs/dbraw/zinc/46/82/79/925468279.db2.gz UHAXPECUTRLXEM-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001407352697 925468373 /nfs/dbraw/zinc/46/83/73/925468373.db2.gz PMDXXIOBFORRCG-ABAIWWIYSA-N 1 1 313.398 -1.021 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnc2n[nH]nc2c1 ZINC001407350090 925468437 /nfs/dbraw/zinc/46/84/37/925468437.db2.gz PPTMLQWGSCEPGZ-ZDUSSCGKSA-N 1 1 306.326 -1.488 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001407350994 925468520 /nfs/dbraw/zinc/46/85/20/925468520.db2.gz NSBKNJINIFHLEG-CQSZACIVSA-N 1 1 317.353 -1.179 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001407360385 925469303 /nfs/dbraw/zinc/46/93/03/925469303.db2.gz COSMPCCXKSBXRB-YPMHNXCESA-N 1 1 320.411 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001407360385 925469314 /nfs/dbraw/zinc/46/93/14/925469314.db2.gz COSMPCCXKSBXRB-YPMHNXCESA-N 1 1 320.411 -1.380 20 0 DAADMO CO[C@@H](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407362816 925469348 /nfs/dbraw/zinc/46/93/48/925469348.db2.gz QKXKISKAOHPIDC-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CO[C@@H](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407362816 925469354 /nfs/dbraw/zinc/46/93/54/925469354.db2.gz QKXKISKAOHPIDC-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cccc1=O ZINC001407360172 925469646 /nfs/dbraw/zinc/46/96/46/925469646.db2.gz JXEFXAISOWQTGL-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cccc1=O ZINC001407360172 925469650 /nfs/dbraw/zinc/46/96/50/925469650.db2.gz JXEFXAISOWQTGL-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO Cc1ccn(C[C@H](C)C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001407360906 925469829 /nfs/dbraw/zinc/46/98/29/925469829.db2.gz XHUYMVSLWARAAX-XHDPSFHLSA-N 1 1 323.397 -1.134 20 0 DAADMO Cc1ccn(C[C@H](C)C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001407360906 925469833 /nfs/dbraw/zinc/46/98/33/925469833.db2.gz XHUYMVSLWARAAX-XHDPSFHLSA-N 1 1 323.397 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001407357490 925470152 /nfs/dbraw/zinc/47/01/52/925470152.db2.gz TUEKNMAHUDYYFC-CQSZACIVSA-N 1 1 322.369 -1.345 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001407357490 925470157 /nfs/dbraw/zinc/47/01/57/925470157.db2.gz TUEKNMAHUDYYFC-CQSZACIVSA-N 1 1 322.369 -1.345 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407358059 925470194 /nfs/dbraw/zinc/47/01/94/925470194.db2.gz AROSDJZNPGKSDR-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407358059 925470199 /nfs/dbraw/zinc/47/01/99/925470199.db2.gz AROSDJZNPGKSDR-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCNC(=O)CC1 ZINC001407363642 925470243 /nfs/dbraw/zinc/47/02/43/925470243.db2.gz NMMAAABPANUKHO-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001407357391 925470337 /nfs/dbraw/zinc/47/03/37/925470337.db2.gz AMFVSEQKSDRNOM-WFASDCNBSA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407360271 925470483 /nfs/dbraw/zinc/47/04/83/925470483.db2.gz XOLLBUGLXCHQLB-OAHLLOKOSA-N 1 1 323.397 -1.167 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407360271 925470490 /nfs/dbraw/zinc/47/04/90/925470490.db2.gz XOLLBUGLXCHQLB-OAHLLOKOSA-N 1 1 323.397 -1.167 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407361177 925470630 /nfs/dbraw/zinc/47/06/30/925470630.db2.gz FWKGPPHSMYFDEW-CMPLNLGQSA-N 1 1 323.415 -2.188 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cccc1=O ZINC001407360174 925470663 /nfs/dbraw/zinc/47/06/63/925470663.db2.gz JXEFXAISOWQTGL-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cccc1=O ZINC001407360174 925470673 /nfs/dbraw/zinc/47/06/73/925470673.db2.gz JXEFXAISOWQTGL-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)on1 ZINC001407357905 925470857 /nfs/dbraw/zinc/47/08/57/925470857.db2.gz GNUONKQSWCOOCB-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)on1 ZINC001407357905 925470865 /nfs/dbraw/zinc/47/08/65/925470865.db2.gz GNUONKQSWCOOCB-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407358028 925470936 /nfs/dbraw/zinc/47/09/36/925470936.db2.gz AROSDJZNPGKSDR-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407358028 925470939 /nfs/dbraw/zinc/47/09/39/925470939.db2.gz AROSDJZNPGKSDR-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2CC)C1 ZINC001407360953 925471041 /nfs/dbraw/zinc/47/10/41/925471041.db2.gz XWOGJZOCJHILIB-AWEZNQCLSA-N 1 1 324.385 -1.399 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2CC)C1 ZINC001407360953 925471044 /nfs/dbraw/zinc/47/10/44/925471044.db2.gz XWOGJZOCJHILIB-AWEZNQCLSA-N 1 1 324.385 -1.399 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407359611 925471150 /nfs/dbraw/zinc/47/11/50/925471150.db2.gz GKJDFWMZBKBUPJ-GFCCVEGCSA-N 1 1 311.346 -2.535 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407359611 925471153 /nfs/dbraw/zinc/47/11/53/925471153.db2.gz GKJDFWMZBKBUPJ-GFCCVEGCSA-N 1 1 311.346 -2.535 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)on1 ZINC001407357407 925471176 /nfs/dbraw/zinc/47/11/76/925471176.db2.gz GNUONKQSWCOOCB-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)on1 ZINC001407357407 925471181 /nfs/dbraw/zinc/47/11/81/925471181.db2.gz GNUONKQSWCOOCB-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1C1CC1 ZINC001407374152 925471723 /nfs/dbraw/zinc/47/17/23/925471723.db2.gz GAFADTQWFOUEFB-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1C1CC1 ZINC001407374152 925471732 /nfs/dbraw/zinc/47/17/32/925471732.db2.gz GAFADTQWFOUEFB-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001407373546 925472191 /nfs/dbraw/zinc/47/21/91/925472191.db2.gz DUXPGNFGIPESOW-CQSZACIVSA-N 1 1 324.385 -1.476 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001407373546 925472198 /nfs/dbraw/zinc/47/21/98/925472198.db2.gz DUXPGNFGIPESOW-CQSZACIVSA-N 1 1 324.385 -1.476 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccnn3C)C2)C1=O ZINC001407367212 925472272 /nfs/dbraw/zinc/47/22/72/925472272.db2.gz ZFLAOGBVMNHIMV-SWLSCSKDSA-N 1 1 321.381 -1.183 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001407365991 925473268 /nfs/dbraw/zinc/47/32/68/925473268.db2.gz ISIKFLJOUFKXBT-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001407365991 925473270 /nfs/dbraw/zinc/47/32/70/925473270.db2.gz ISIKFLJOUFKXBT-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001407369960 925473426 /nfs/dbraw/zinc/47/34/26/925473426.db2.gz UCDZRIKAXIFFOQ-GFCCVEGCSA-N 1 1 323.415 -2.010 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407369133 925473446 /nfs/dbraw/zinc/47/34/46/925473446.db2.gz WIWOOJMPMPVUPA-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407369133 925473450 /nfs/dbraw/zinc/47/34/50/925473450.db2.gz WIWOOJMPMPVUPA-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407375989 925474185 /nfs/dbraw/zinc/47/41/85/925474185.db2.gz BUZXQAQFHYKKHJ-TZMCWYRMSA-N 1 1 311.386 -1.008 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001407378327 925474354 /nfs/dbraw/zinc/47/43/54/925474354.db2.gz SQMLHLYVPNIFMX-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407380370 925474960 /nfs/dbraw/zinc/47/49/60/925474960.db2.gz DVKQIPNDJUBJNO-IAQYHMDHSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407380370 925474966 /nfs/dbraw/zinc/47/49/66/925474966.db2.gz DVKQIPNDJUBJNO-IAQYHMDHSA-N 1 1 323.397 -1.004 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001407376320 925475086 /nfs/dbraw/zinc/47/50/86/925475086.db2.gz KZQSJPOTYGUCDF-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407376320 925475091 /nfs/dbraw/zinc/47/50/91/925475091.db2.gz KZQSJPOTYGUCDF-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407384077 925475884 /nfs/dbraw/zinc/47/58/84/925475884.db2.gz QXOQAPDJYVLPFH-ZANVPECISA-N 1 1 309.326 -1.567 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407384077 925475888 /nfs/dbraw/zinc/47/58/88/925475888.db2.gz QXOQAPDJYVLPFH-ZANVPECISA-N 1 1 309.326 -1.567 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001407384806 925475943 /nfs/dbraw/zinc/47/59/43/925475943.db2.gz ZWHOWIPXRHIESW-HNNXBMFYSA-N 1 1 324.381 -1.341 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407384060 925477198 /nfs/dbraw/zinc/47/71/98/925477198.db2.gz QXOQAPDJYVLPFH-RNCFNFMXSA-N 1 1 309.326 -1.567 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407384060 925477200 /nfs/dbraw/zinc/47/72/00/925477200.db2.gz QXOQAPDJYVLPFH-RNCFNFMXSA-N 1 1 309.326 -1.567 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001407386734 925477865 /nfs/dbraw/zinc/47/78/65/925477865.db2.gz SMGUTVNMERDWMH-OAHLLOKOSA-N 1 1 307.350 -1.056 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407391287 925478012 /nfs/dbraw/zinc/47/80/12/925478012.db2.gz OSDYRLIWNZQNBL-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407391287 925478017 /nfs/dbraw/zinc/47/80/17/925478017.db2.gz OSDYRLIWNZQNBL-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001407389575 925478540 /nfs/dbraw/zinc/47/85/40/925478540.db2.gz XSAJBVNKQGOFCV-ZDUSSCGKSA-N 1 1 321.341 -1.164 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001407392724 925478733 /nfs/dbraw/zinc/47/87/33/925478733.db2.gz WOEQHTSFHJQIRS-ZDUSSCGKSA-N 1 1 315.374 -2.266 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001407392724 925478738 /nfs/dbraw/zinc/47/87/38/925478738.db2.gz WOEQHTSFHJQIRS-ZDUSSCGKSA-N 1 1 315.374 -2.266 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407397258 925479659 /nfs/dbraw/zinc/47/96/59/925479659.db2.gz HJLJWJBBCCTPOE-QWRGUYRKSA-N 1 1 314.386 -2.386 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407397258 925479662 /nfs/dbraw/zinc/47/96/62/925479662.db2.gz HJLJWJBBCCTPOE-QWRGUYRKSA-N 1 1 314.386 -2.386 20 0 DAADMO Cn1[nH]c(CN2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001407401871 925481444 /nfs/dbraw/zinc/48/14/44/925481444.db2.gz YYZMSINUIUQHSE-JTQLQIEISA-N 1 1 324.385 -2.135 20 0 DAADMO CN(CC(=O)NCC1(O)C[NH+](CC2CC2)C1)S(C)(=O)=O ZINC001407403701 925483619 /nfs/dbraw/zinc/48/36/19/925483619.db2.gz KIPJCNTUCFBOGZ-UHFFFAOYSA-N 1 1 305.400 -1.549 20 0 DAADMO COCC(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001407432908 925491188 /nfs/dbraw/zinc/49/11/88/925491188.db2.gz JBIRISPHJMJPQF-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001407432897 925491372 /nfs/dbraw/zinc/49/13/72/925491372.db2.gz JBIRISPHJMJPQF-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H](C)N1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001407429662 925492068 /nfs/dbraw/zinc/49/20/68/925492068.db2.gz JOKQZJFQPLXWPS-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CC(=O)NCC3CC3)C2)C1 ZINC001407472784 925498427 /nfs/dbraw/zinc/49/84/27/925498427.db2.gz RJQDIESMPRQXRI-CYBMUJFWSA-N 1 1 324.425 -1.373 20 0 DAADMO CCOC1CC(C[NH+]2CC(O)(CNC(=O)c3nnn(C)n3)C2)C1 ZINC001407493518 925501234 /nfs/dbraw/zinc/50/12/34/925501234.db2.gz QRGXWNASAIRGOB-UHFFFAOYSA-N 1 1 324.385 -1.198 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001407565778 925505734 /nfs/dbraw/zinc/50/57/34/925505734.db2.gz XIUWPNHWVBOFNH-RWMBFGLXSA-N 1 1 313.398 -1.138 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2ccnn2)C1 ZINC001407615860 925509254 /nfs/dbraw/zinc/50/92/54/925509254.db2.gz PYXZSELFWHZJKT-TZMCWYRMSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614732 925510414 /nfs/dbraw/zinc/51/04/14/925510414.db2.gz NOZBDEYSHMVVRG-WFASDCNBSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614732 925510421 /nfs/dbraw/zinc/51/04/21/925510421.db2.gz NOZBDEYSHMVVRG-WFASDCNBSA-N 1 1 323.397 -1.039 20 0 DAADMO CN1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001407636827 925511347 /nfs/dbraw/zinc/51/13/47/925511347.db2.gz FXJZXQLGJWARKE-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001407622727 925511390 /nfs/dbraw/zinc/51/13/90/925511390.db2.gz DMPFRFGRXLFHIQ-HNNXBMFYSA-N 1 1 324.381 -1.431 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001407632353 925512232 /nfs/dbraw/zinc/51/22/32/925512232.db2.gz BHWWNNLBDLUPLE-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629711 925512887 /nfs/dbraw/zinc/51/28/87/925512887.db2.gz AEVKYSLNMJFPHW-UWVGGRQHSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629711 925512896 /nfs/dbraw/zinc/51/28/96/925512896.db2.gz AEVKYSLNMJFPHW-UWVGGRQHSA-N 1 1 321.341 -1.322 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001407647624 925513445 /nfs/dbraw/zinc/51/34/45/925513445.db2.gz XUGWFNVNEKJOMG-GXFFZTMASA-N 1 1 302.375 -1.631 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)n(C)c1=O ZINC001407644059 925514297 /nfs/dbraw/zinc/51/42/97/925514297.db2.gz SXZCUJRNRDQBGT-AWEZNQCLSA-N 1 1 312.370 -1.727 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407648719 925514481 /nfs/dbraw/zinc/51/44/81/925514481.db2.gz HVLIPTLWARMRRT-TZMCWYRMSA-N 1 1 304.387 -1.027 20 0 DAADMO C[N@@H+](CC(=O)N[C@]1(CO)CCCN(CC(N)=O)C1)C1CCC1 ZINC001407655038 925515044 /nfs/dbraw/zinc/51/50/44/925515044.db2.gz VGSQRNFIKNJMQX-OAHLLOKOSA-N 1 1 312.414 -1.101 20 0 DAADMO COC[C@H](OC)C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407648674 925515162 /nfs/dbraw/zinc/51/51/62/925515162.db2.gz HVLIPTLWARMRRT-GXTWGEPZSA-N 1 1 304.387 -1.027 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CC[NH2+][C@H](C)c1nnnn1C ZINC001407666166 925516453 /nfs/dbraw/zinc/51/64/53/925516453.db2.gz SOCZTTILOAMFQK-SECBINFHSA-N 1 1 323.361 -1.578 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407667697 925517156 /nfs/dbraw/zinc/51/71/56/925517156.db2.gz KFUAZIHTVYCJFB-JHJVBQTASA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1nc[nH]n1)c1nncn1C ZINC001407667082 925517333 /nfs/dbraw/zinc/51/73/33/925517333.db2.gz UTWPOCIJVAIRQF-SECBINFHSA-N 1 1 308.346 -1.282 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)Cn2cncn2)[nH]1 ZINC001407688725 925518868 /nfs/dbraw/zinc/51/88/68/925518868.db2.gz ZLARQRNTMCSUFC-SNVBAGLBSA-N 1 1 322.373 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683078 925519143 /nfs/dbraw/zinc/51/91/43/925519143.db2.gz UZTCTFNLEKNNHE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683078 925519152 /nfs/dbraw/zinc/51/91/52/925519152.db2.gz UZTCTFNLEKNNHE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1COCCN1CC(=O)NC ZINC001407749037 925523254 /nfs/dbraw/zinc/52/32/54/925523254.db2.gz UJPGEFXOKJVOFG-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407831900 925527766 /nfs/dbraw/zinc/52/77/66/925527766.db2.gz JXBWXRVSTVDOIY-GFCCVEGCSA-N 1 1 324.385 -1.092 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+][C@H](C)c2nncn2C)C1 ZINC001407819546 925528673 /nfs/dbraw/zinc/52/86/73/925528673.db2.gz AVDGHMGOHOKPAK-ZYHUDNBSSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001407849460 925529992 /nfs/dbraw/zinc/52/99/92/925529992.db2.gz JRNBQTWNGOIWRK-WDEREUQCSA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001407840590 925530609 /nfs/dbraw/zinc/53/06/09/925530609.db2.gz UKEWQFKTHUVCLP-LBPRGKRZSA-N 1 1 324.385 -1.046 20 0 DAADMO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001407871301 925531562 /nfs/dbraw/zinc/53/15/62/925531562.db2.gz PZXHKQDHFRDNQS-NWDGAFQWSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001407871301 925531567 /nfs/dbraw/zinc/53/15/67/925531567.db2.gz PZXHKQDHFRDNQS-NWDGAFQWSA-N 1 1 324.385 -1.182 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001407882021 925533535 /nfs/dbraw/zinc/53/35/35/925533535.db2.gz YBBWTVRZFBZWED-LLVKDONJSA-N 1 1 310.358 -1.700 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001407882021 925533542 /nfs/dbraw/zinc/53/35/42/925533542.db2.gz YBBWTVRZFBZWED-LLVKDONJSA-N 1 1 310.358 -1.700 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407878347 925534570 /nfs/dbraw/zinc/53/45/70/925534570.db2.gz FLTUGEUFNWUAAV-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CCC[N@H+](C)Cc1cnnn1C)C(=O)c1nnn(C)n1 ZINC001407921408 925535909 /nfs/dbraw/zinc/53/59/09/925535909.db2.gz MGJBAOAKSCSJLP-UHFFFAOYSA-N 1 1 307.362 -1.067 20 0 DAADMO CN(CCC[N@@H+](C)Cc1cnnn1C)C(=O)c1nnn(C)n1 ZINC001407921408 925535921 /nfs/dbraw/zinc/53/59/21/925535921.db2.gz MGJBAOAKSCSJLP-UHFFFAOYSA-N 1 1 307.362 -1.067 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407933230 925536378 /nfs/dbraw/zinc/53/63/78/925536378.db2.gz XDBYORZVVJWXIU-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408002264 925539638 /nfs/dbraw/zinc/53/96/38/925539638.db2.gz GAYMSCKDNIJQEG-RNWYCLNJSA-N 1 1 323.397 -1.432 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]([NH2+]Cc2cnon2)[C@@H](C)C1 ZINC001408100725 925548366 /nfs/dbraw/zinc/54/83/66/925548366.db2.gz NXCSEXZCUPATOB-WPRPVWTQSA-N 1 1 317.371 -1.445 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113613 925548689 /nfs/dbraw/zinc/54/86/89/925548689.db2.gz XCQAXDYAVQFGAI-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113613 925548696 /nfs/dbraw/zinc/54/86/96/925548696.db2.gz XCQAXDYAVQFGAI-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CN1CN=NC1=O ZINC001408134237 925549210 /nfs/dbraw/zinc/54/92/10/925549210.db2.gz ZNOGIQLNTWTFKB-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001408165486 925553548 /nfs/dbraw/zinc/55/35/48/925553548.db2.gz NLHLXMPPWLFCBP-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001408165486 925553552 /nfs/dbraw/zinc/55/35/52/925553552.db2.gz NLHLXMPPWLFCBP-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](CCNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnn(C)n1 ZINC001408243058 925558570 /nfs/dbraw/zinc/55/85/70/925558570.db2.gz MBAYWJPQUDPCKU-JTQLQIEISA-N 1 1 321.389 -1.044 20 0 DAADMO CCn1nncc1C(=O)NC1(CO)CC[NH+](CC(=O)NC)CC1 ZINC001408264574 925559727 /nfs/dbraw/zinc/55/97/27/925559727.db2.gz FLETZLXJLPOERC-UHFFFAOYSA-N 1 1 324.385 -1.399 20 0 DAADMO C[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)NC(=O)Cn1ncnn1 ZINC001408266084 925559874 /nfs/dbraw/zinc/55/98/74/925559874.db2.gz UVNAIRNFMNJNJI-FZMZJTMJSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001408278260 925561118 /nfs/dbraw/zinc/56/11/18/925561118.db2.gz WFFBYJRYZOKHMI-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001408266518 925561725 /nfs/dbraw/zinc/56/17/25/925561725.db2.gz JASOWQFTYWWOGF-JTQLQIEISA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnn(C)c2N)CC1 ZINC001408270226 925561785 /nfs/dbraw/zinc/56/17/85/925561785.db2.gz XZIKNPIIDIAWHP-UHFFFAOYSA-N 1 1 324.385 -1.695 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001408278674 925562316 /nfs/dbraw/zinc/56/23/16/925562316.db2.gz ADQKFMDDXWUNEV-MRVPVSSYSA-N 1 1 306.330 -1.350 20 0 DAADMO O=C(Cn1cncn1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001408287799 925562954 /nfs/dbraw/zinc/56/29/54/925562954.db2.gz YNMZVJOOXDHRAP-NSHDSACASA-N 1 1 322.369 -1.890 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)c(=O)n1C ZINC001408332275 925564571 /nfs/dbraw/zinc/56/45/71/925564571.db2.gz GVIDDICBSDKEHF-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344832 925564847 /nfs/dbraw/zinc/56/48/47/925564847.db2.gz QTXVCZYRVWRRCL-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344832 925564853 /nfs/dbraw/zinc/56/48/53/925564853.db2.gz QTXVCZYRVWRRCL-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)N(C)C ZINC001408339522 925565444 /nfs/dbraw/zinc/56/54/44/925565444.db2.gz HZOYNTFZFGBRQY-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)N(C)C ZINC001408339522 925565449 /nfs/dbraw/zinc/56/54/49/925565449.db2.gz HZOYNTFZFGBRQY-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408350776 925566386 /nfs/dbraw/zinc/56/63/86/925566386.db2.gz ZBJCJULPKNMTJJ-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC001408352774 925566439 /nfs/dbraw/zinc/56/64/39/925566439.db2.gz HPZQWBYEGGOJLH-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001408356244 925567387 /nfs/dbraw/zinc/56/73/87/925567387.db2.gz NIEUJZVGYHQBJF-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001408465881 925571074 /nfs/dbraw/zinc/57/10/74/925571074.db2.gz ISTKNYBASQWHLQ-KOLCDFICSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001408465436 925571764 /nfs/dbraw/zinc/57/17/64/925571764.db2.gz QLSHOCWPDCAVRG-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cccnn1 ZINC001408542280 925575589 /nfs/dbraw/zinc/57/55/89/925575589.db2.gz KVBUUXZKFUCOAQ-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cccnn1 ZINC001408542280 925575591 /nfs/dbraw/zinc/57/55/91/925575591.db2.gz KVBUUXZKFUCOAQ-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO Cc1nonc1C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408542503 925575699 /nfs/dbraw/zinc/57/56/99/925575699.db2.gz SRLXZMIKZJDMLR-SNVBAGLBSA-N 1 1 311.342 -1.103 20 0 DAADMO Cc1nonc1C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408542503 925575700 /nfs/dbraw/zinc/57/57/00/925575700.db2.gz SRLXZMIKZJDMLR-SNVBAGLBSA-N 1 1 311.342 -1.103 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001408542547 925576037 /nfs/dbraw/zinc/57/60/37/925576037.db2.gz UQHCSTGGPYXNBX-XQHKEYJVSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001408542547 925576046 /nfs/dbraw/zinc/57/60/46/925576046.db2.gz UQHCSTGGPYXNBX-XQHKEYJVSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1ccn(C)n1 ZINC001408542604 925576278 /nfs/dbraw/zinc/57/62/78/925576278.db2.gz WFLOVVONPQRRKA-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccn(C)n1 ZINC001408542604 925576285 /nfs/dbraw/zinc/57/62/85/925576285.db2.gz WFLOVVONPQRRKA-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccc(=O)[nH]n1 ZINC001408542733 925576421 /nfs/dbraw/zinc/57/64/21/925576421.db2.gz ZXTQXALJFNNHMU-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(=O)[nH]n1 ZINC001408542733 925576427 /nfs/dbraw/zinc/57/64/27/925576427.db2.gz ZXTQXALJFNNHMU-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001408575385 925578790 /nfs/dbraw/zinc/57/87/90/925578790.db2.gz WIHXSZPAHHRYLK-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001408575383 925579130 /nfs/dbraw/zinc/57/91/30/925579130.db2.gz WIHXSZPAHHRYLK-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001408575382 925579495 /nfs/dbraw/zinc/57/94/95/925579495.db2.gz WIHXSZPAHHRYLK-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001408618706 925583240 /nfs/dbraw/zinc/58/32/40/925583240.db2.gz JCDFGELKPCWRSR-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001408618707 925583463 /nfs/dbraw/zinc/58/34/63/925583463.db2.gz JCDFGELKPCWRSR-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001408618705 925584063 /nfs/dbraw/zinc/58/40/63/925584063.db2.gz JCDFGELKPCWRSR-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)c1nnn(C)n1 ZINC001408628864 925584453 /nfs/dbraw/zinc/58/44/53/925584453.db2.gz APCUDODJNQUFJY-UHFFFAOYSA-N 1 1 306.330 -1.397 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C[N@@H+](C)C1CCC1 ZINC001408672199 925589020 /nfs/dbraw/zinc/58/90/20/925589020.db2.gz GIKJXBIKNCCZBN-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)Cn1c[nH+]cc1C ZINC001408747448 925594160 /nfs/dbraw/zinc/59/41/60/925594160.db2.gz PQUIMTKMZKYDSW-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)Cn1cnnn1)C1CC1 ZINC001408904850 925600099 /nfs/dbraw/zinc/60/00/99/925600099.db2.gz OIMZYCGLBQAYAV-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001409046018 925606179 /nfs/dbraw/zinc/60/61/79/925606179.db2.gz ZWUQNLCMCLHCIF-BONVTDFDSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001409049438 925608109 /nfs/dbraw/zinc/60/81/09/925608109.db2.gz JZASKYOFUFRMKD-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001409049438 925608114 /nfs/dbraw/zinc/60/81/14/925608114.db2.gz JZASKYOFUFRMKD-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCCC(N)=O)C2)C1 ZINC001409072221 925610565 /nfs/dbraw/zinc/61/05/65/925610565.db2.gz VJSNSTDTDCJXMR-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCCC(N)=O)C2)C1 ZINC001409072221 925610570 /nfs/dbraw/zinc/61/05/70/925610570.db2.gz VJSNSTDTDCJXMR-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409081990 925612367 /nfs/dbraw/zinc/61/23/67/925612367.db2.gz LIWUUMCVHYLAPT-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001409108391 925616252 /nfs/dbraw/zinc/61/62/52/925616252.db2.gz PYGQPMBMQHNMAG-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001409140416 925618678 /nfs/dbraw/zinc/61/86/78/925618678.db2.gz WMJQFSSXRGDAKD-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409142555 925618735 /nfs/dbraw/zinc/61/87/35/925618735.db2.gz OXQUXXJJXSBZEF-LLVKDONJSA-N 1 1 311.386 -1.558 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001409148765 925621324 /nfs/dbraw/zinc/62/13/24/925621324.db2.gz ISKGBXOHGLFCCE-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN(C(=O)c2cnon2)C1 ZINC001409159404 925622765 /nfs/dbraw/zinc/62/27/65/925622765.db2.gz WLNBKODOFQSKDH-UHFFFAOYSA-N 1 1 323.353 -1.020 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)Cn3cncn3)C2)C1 ZINC001409183840 925623847 /nfs/dbraw/zinc/62/38/47/925623847.db2.gz UFHZYVFJSOJYLH-LBPRGKRZSA-N 1 1 306.370 -1.196 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001409193074 925624715 /nfs/dbraw/zinc/62/47/15/925624715.db2.gz CFOKZYRGDPCZMD-SRVKXCTJSA-N 1 1 323.397 -1.180 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001409229721 925625433 /nfs/dbraw/zinc/62/54/33/925625433.db2.gz LUXGQQDDZHKGCW-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409299034 925629896 /nfs/dbraw/zinc/62/98/96/925629896.db2.gz GXXDFBJYKSFQQS-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001409358910 925631764 /nfs/dbraw/zinc/63/17/64/925631764.db2.gz HHHCBAPTBIXHEJ-ZJUUUORDSA-N 1 1 311.342 -1.089 20 0 DAADMO CC[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409388496 925633542 /nfs/dbraw/zinc/63/35/42/925633542.db2.gz MBONQZOLCOQRES-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COCCO1)[N@@H+](C)CCN1CCNC1=O ZINC001409524962 925635073 /nfs/dbraw/zinc/63/50/73/925635073.db2.gz KGQWKVTUKLLCGO-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001409559666 925635364 /nfs/dbraw/zinc/63/53/64/925635364.db2.gz YTBBPFRREACOMZ-VHSXEESVSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001409559666 925635368 /nfs/dbraw/zinc/63/53/68/925635368.db2.gz YTBBPFRREACOMZ-VHSXEESVSA-N 1 1 301.391 -1.124 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001409533908 925635557 /nfs/dbraw/zinc/63/55/57/925635557.db2.gz IVZPDGZHKGDNPR-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001409533908 925635562 /nfs/dbraw/zinc/63/55/62/925635562.db2.gz IVZPDGZHKGDNPR-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@H+](C)CCNS(C)(=O)=O ZINC001409558217 925635596 /nfs/dbraw/zinc/63/55/96/925635596.db2.gz VUBSZNVHRSJUMB-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409558217 925635602 /nfs/dbraw/zinc/63/56/02/925635602.db2.gz VUBSZNVHRSJUMB-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@H+](C)CCNS(C)(=O)=O ZINC001409550147 925636205 /nfs/dbraw/zinc/63/62/05/925636205.db2.gz XHXDORSWEIRCEU-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)CCNS(C)(=O)=O ZINC001409550147 925636208 /nfs/dbraw/zinc/63/62/08/925636208.db2.gz XHXDORSWEIRCEU-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409563185 925636302 /nfs/dbraw/zinc/63/63/02/925636302.db2.gz FKRSSDULQWPQAL-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001409564639 925636507 /nfs/dbraw/zinc/63/65/07/925636507.db2.gz CYCBYYKFYBGJLM-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](CNC(=O)CCc1ccn(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409564639 925636510 /nfs/dbraw/zinc/63/65/10/925636510.db2.gz CYCBYYKFYBGJLM-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409586328 925637258 /nfs/dbraw/zinc/63/72/58/925637258.db2.gz AVEDFHUUQMWMER-BDAKNGLRSA-N 1 1 321.403 -2.635 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001409578113 925637517 /nfs/dbraw/zinc/63/75/17/925637517.db2.gz JDQXFUACOKLTSN-VHSXEESVSA-N 1 1 312.374 -1.718 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001409573370 925637714 /nfs/dbraw/zinc/63/77/14/925637714.db2.gz ONWDVXCLQXOHAG-JTQLQIEISA-N 1 1 314.390 -1.623 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409586330 925638227 /nfs/dbraw/zinc/63/82/27/925638227.db2.gz AVEDFHUUQMWMER-DTWKUNHWSA-N 1 1 321.403 -2.635 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001409573420 925638527 /nfs/dbraw/zinc/63/85/27/925638527.db2.gz ONWDVXCLQXOHAG-SNVBAGLBSA-N 1 1 314.390 -1.623 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@H+](C)CC(=O)NC1CC1 ZINC001409638764 925639808 /nfs/dbraw/zinc/63/98/08/925639808.db2.gz FEPKLPGPZCZLKO-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CC(=O)NC1CC1 ZINC001409638764 925639816 /nfs/dbraw/zinc/63/98/16/925639816.db2.gz FEPKLPGPZCZLKO-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409633814 925640818 /nfs/dbraw/zinc/64/08/18/925640818.db2.gz IMGBJHOJMAQZDP-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409633814 925640824 /nfs/dbraw/zinc/64/08/24/925640824.db2.gz IMGBJHOJMAQZDP-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409660011 925641822 /nfs/dbraw/zinc/64/18/22/925641822.db2.gz QHJVZFZIADNSGH-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001409660011 925641829 /nfs/dbraw/zinc/64/18/29/925641829.db2.gz QHJVZFZIADNSGH-MRVPVSSYSA-N 1 1 311.346 -1.761 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001409650461 925642556 /nfs/dbraw/zinc/64/25/56/925642556.db2.gz ZVROTVLTCOOAJJ-ONGXEEELSA-N 1 1 324.385 -1.785 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)N(C)CC(=O)NC(N)=O ZINC001409686847 925643301 /nfs/dbraw/zinc/64/33/01/925643301.db2.gz NHEHIOXCEYYZHJ-SNVBAGLBSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001409697086 925643617 /nfs/dbraw/zinc/64/36/17/925643617.db2.gz IRXKABSJPUVNAP-NSHDSACASA-N 1 1 312.374 -1.613 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)N(C)CC(=O)NC(N)=O ZINC001409686782 925644425 /nfs/dbraw/zinc/64/44/25/925644425.db2.gz NHEHIOXCEYYZHJ-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO CC(C)C[NH+]1CC(CCO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001409696406 925644579 /nfs/dbraw/zinc/64/45/79/925644579.db2.gz FICAUAXSDCXUBT-UHFFFAOYSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409747527 925650424 /nfs/dbraw/zinc/65/04/24/925650424.db2.gz RZRUHMNMMLVDFR-ZJUUUORDSA-N 1 1 302.350 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN([C@H](C)C(N)=O)C1 ZINC001409751854 925652948 /nfs/dbraw/zinc/65/29/48/925652948.db2.gz RNZFJRQYFHTPLF-LLVKDONJSA-N 1 1 300.403 -1.245 20 0 DAADMO Cn1nncc1CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001409756855 925653139 /nfs/dbraw/zinc/65/31/39/925653139.db2.gz RRNFCZDJKQBHAR-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO CC[NH+]1CC(CCO)(NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001409752134 925653225 /nfs/dbraw/zinc/65/32/25/925653225.db2.gz OPWFEXVMQUUWKX-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)[N@H+](C)CC(N)=O ZINC001409753230 925653460 /nfs/dbraw/zinc/65/34/60/925653460.db2.gz NQEDRQVCEBXOEN-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCC2)[N@@H+](C)CC(N)=O ZINC001409753230 925653467 /nfs/dbraw/zinc/65/34/67/925653467.db2.gz NQEDRQVCEBXOEN-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409898099 925654987 /nfs/dbraw/zinc/65/49/87/925654987.db2.gz KKHYSXPTQZGRSO-BDAKNGLRSA-N 1 1 320.415 -1.764 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001409914902 925655538 /nfs/dbraw/zinc/65/55/38/925655538.db2.gz KZAGMKVAGLIDEH-KOLCDFICSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@H](NC(=O)CN1CCCC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409868231 925655699 /nfs/dbraw/zinc/65/56/99/925655699.db2.gz SJVBYNCYJUTHCZ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409928127 925656190 /nfs/dbraw/zinc/65/61/90/925656190.db2.gz RVVWGNZFWSGPIO-JTQLQIEISA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409922044 925657629 /nfs/dbraw/zinc/65/76/29/925657629.db2.gz PBOCKDZGERXXMX-BDAKNGLRSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)Cn2ncnn2)CC[N@H+]1C ZINC001409991628 925660927 /nfs/dbraw/zinc/66/09/27/925660927.db2.gz DSCQQPJVPYKUJF-VXGBXAGGSA-N 1 1 323.401 -1.070 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001410019298 925662610 /nfs/dbraw/zinc/66/26/10/925662610.db2.gz BRFRFYZYRBMFDY-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001410019298 925662617 /nfs/dbraw/zinc/66/26/17/925662617.db2.gz BRFRFYZYRBMFDY-RTCCRHLQSA-N 1 1 318.341 -1.141 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001410027717 925662801 /nfs/dbraw/zinc/66/28/01/925662801.db2.gz IDKBATYZAVLLGG-WISYIIOYSA-N 1 1 319.369 -1.754 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001410044028 925664164 /nfs/dbraw/zinc/66/41/64/925664164.db2.gz AWNIFSNXSFUKNL-CNDDSTCGSA-N 1 1 317.411 -1.692 20 0 DAADMO CC(C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001410062386 925668668 /nfs/dbraw/zinc/66/86/68/925668668.db2.gz YGHXKVDCVLTVRM-XYYAHUGASA-N 1 1 322.409 -1.105 20 0 DAADMO CC(C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001410062386 925668675 /nfs/dbraw/zinc/66/86/75/925668675.db2.gz YGHXKVDCVLTVRM-XYYAHUGASA-N 1 1 322.409 -1.105 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001410066255 925669901 /nfs/dbraw/zinc/66/99/01/925669901.db2.gz VTISECIATDUWID-FVCCEPFGSA-N 1 1 308.382 -1.305 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069092 925670559 /nfs/dbraw/zinc/67/05/59/925670559.db2.gz DAVOKZURRNYLJE-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069092 925670567 /nfs/dbraw/zinc/67/05/67/925670567.db2.gz DAVOKZURRNYLJE-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001410066492 925670743 /nfs/dbraw/zinc/67/07/43/925670743.db2.gz BQFCKXZNKYVTPA-QWRGUYRKSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069066 925671070 /nfs/dbraw/zinc/67/10/70/925671070.db2.gz DAVOKZURRNYLJE-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069066 925671074 /nfs/dbraw/zinc/67/10/74/925671074.db2.gz DAVOKZURRNYLJE-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410066430 925671120 /nfs/dbraw/zinc/67/11/20/925671120.db2.gz BQFCKXZNKYVTPA-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1nc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@@H]3C2)n[nH]1 ZINC001410080467 925675392 /nfs/dbraw/zinc/67/53/92/925675392.db2.gz QEWXAYMOZHZNTN-DMLMCSCLSA-N 1 1 321.385 -1.036 20 0 DAADMO CO[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001410092848 925678489 /nfs/dbraw/zinc/67/84/89/925678489.db2.gz WQLXHIMPXHEMFX-HNCHTBHHSA-N 1 1 324.381 -1.100 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001410094511 925678725 /nfs/dbraw/zinc/67/87/25/925678725.db2.gz SZTDYESHIICQPY-MNOVXSKESA-N 1 1 309.370 -1.360 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 ZINC001410095810 925679681 /nfs/dbraw/zinc/67/96/81/925679681.db2.gz YGEABDGPSAMQSP-FIQHERPVSA-N 1 1 309.366 -1.020 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnns1 ZINC001410097705 925679705 /nfs/dbraw/zinc/67/97/05/925679705.db2.gz QYLKHRITXJKGIG-DTWKUNHWSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccnnc1 ZINC001410098517 925679768 /nfs/dbraw/zinc/67/97/68/925679768.db2.gz VYPZJDQDTOZTBX-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001410104845 925682669 /nfs/dbraw/zinc/68/26/69/925682669.db2.gz NGCXKGHBHGMCCV-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001410105368 925683172 /nfs/dbraw/zinc/68/31/72/925683172.db2.gz PFWQNSGXRCQWIS-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001410108878 925684270 /nfs/dbraw/zinc/68/42/70/925684270.db2.gz QJCAPBYAPWQNIH-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnnn2C)C1 ZINC001410109107 925685077 /nfs/dbraw/zinc/68/50/77/925685077.db2.gz DMIYNMSRKSYBMH-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001410120802 925688137 /nfs/dbraw/zinc/68/81/37/925688137.db2.gz INJGDXDXPWYWHD-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001410120811 925688896 /nfs/dbraw/zinc/68/88/96/925688896.db2.gz INJGDXDXPWYWHD-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001410119663 925689508 /nfs/dbraw/zinc/68/95/08/925689508.db2.gz MGFGSHDOEZKAEA-YFKTTZPYSA-N 1 1 308.382 -1.305 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001410132232 925690522 /nfs/dbraw/zinc/69/05/22/925690522.db2.gz NKRYJVBWANFYRD-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001410130597 925691190 /nfs/dbraw/zinc/69/11/90/925691190.db2.gz VWWCOKZKQXLNKC-AWEZNQCLSA-N 1 1 314.386 -1.006 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001410130597 925691193 /nfs/dbraw/zinc/69/11/93/925691193.db2.gz VWWCOKZKQXLNKC-AWEZNQCLSA-N 1 1 314.386 -1.006 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001410133178 925691701 /nfs/dbraw/zinc/69/17/01/925691701.db2.gz OMUPVSQEEMPRJU-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001410133167 925692466 /nfs/dbraw/zinc/69/24/66/925692466.db2.gz OMUPVSQEEMPRJU-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001410139533 925693169 /nfs/dbraw/zinc/69/31/69/925693169.db2.gz ZVTZNIHWMWVUMS-WDEREUQCSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001410139533 925693172 /nfs/dbraw/zinc/69/31/72/925693172.db2.gz ZVTZNIHWMWVUMS-WDEREUQCSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001410139533 925693175 /nfs/dbraw/zinc/69/31/75/925693175.db2.gz ZVTZNIHWMWVUMS-WDEREUQCSA-N 1 1 324.385 -1.799 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001410140957 925693797 /nfs/dbraw/zinc/69/37/97/925693797.db2.gz UAAQPSLSJCMXKF-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140957 925693804 /nfs/dbraw/zinc/69/38/04/925693804.db2.gz UAAQPSLSJCMXKF-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140957 925693809 /nfs/dbraw/zinc/69/38/09/925693809.db2.gz UAAQPSLSJCMXKF-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140957 925693815 /nfs/dbraw/zinc/69/38/15/925693815.db2.gz UAAQPSLSJCMXKF-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140957 925693820 /nfs/dbraw/zinc/69/38/20/925693820.db2.gz UAAQPSLSJCMXKF-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410153632 925695485 /nfs/dbraw/zinc/69/54/85/925695485.db2.gz VLOTUZJBAWEBPT-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001410153623 925696495 /nfs/dbraw/zinc/69/64/95/925696495.db2.gz VLOTUZJBAWEBPT-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 ZINC001410157810 925698208 /nfs/dbraw/zinc/69/82/08/925698208.db2.gz OWFSDBZEZZHRPZ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001410157810 925698218 /nfs/dbraw/zinc/69/82/18/925698218.db2.gz OWFSDBZEZZHRPZ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001410157810 925698227 /nfs/dbraw/zinc/69/82/27/925698227.db2.gz OWFSDBZEZZHRPZ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001410181434 925700233 /nfs/dbraw/zinc/70/02/33/925700233.db2.gz IZMXPFCHWFOVLE-GFCCVEGCSA-N 1 1 324.385 -1.395 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001410190363 925700980 /nfs/dbraw/zinc/70/09/80/925700980.db2.gz ZRHCKLPTHOVHEF-OPRDCNLKSA-N 1 1 324.389 -1.359 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410207016 925702724 /nfs/dbraw/zinc/70/27/24/925702724.db2.gz HAANRKODWBITMF-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410207542 925703134 /nfs/dbraw/zinc/70/31/34/925703134.db2.gz HAANRKODWBITMF-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001410222091 925704287 /nfs/dbraw/zinc/70/42/87/925704287.db2.gz KIDIPHOSCVDANB-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001410222091 925704289 /nfs/dbraw/zinc/70/42/89/925704289.db2.gz KIDIPHOSCVDANB-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)CNC(N)=O)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001410262766 925705523 /nfs/dbraw/zinc/70/55/23/925705523.db2.gz PYVMTKPRYRFGOJ-YGRLFVJLSA-N 1 1 311.386 -1.239 20 0 DAADMO COCC[N@@H+](C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001410262252 925705534 /nfs/dbraw/zinc/70/55/34/925705534.db2.gz TYYUVCWHEMIVRB-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001410252005 925705916 /nfs/dbraw/zinc/70/59/16/925705916.db2.gz NAKMGEMWYSUYOD-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(=O)cn1 ZINC001410280804 925708190 /nfs/dbraw/zinc/70/81/90/925708190.db2.gz KOFUMXIJCRPSBB-NXEZZACHSA-N 1 1 307.354 -1.044 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001410311498 925709812 /nfs/dbraw/zinc/70/98/12/925709812.db2.gz LOQGDLYJSKHRNZ-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410333938 925710518 /nfs/dbraw/zinc/71/05/18/925710518.db2.gz QGBUGSBDMGMBOS-QWRGUYRKSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410333938 925710524 /nfs/dbraw/zinc/71/05/24/925710524.db2.gz QGBUGSBDMGMBOS-QWRGUYRKSA-N 1 1 309.370 -1.096 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001410330429 925710797 /nfs/dbraw/zinc/71/07/97/925710797.db2.gz YNYVSIFGYMXIEV-QWRGUYRKSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC001410343003 925710815 /nfs/dbraw/zinc/71/08/15/925710815.db2.gz WNTBKEASHPZJOT-HBNTYKKESA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC001410343003 925710821 /nfs/dbraw/zinc/71/08/21/925710821.db2.gz WNTBKEASHPZJOT-HBNTYKKESA-N 1 1 312.370 -1.784 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001410330448 925710873 /nfs/dbraw/zinc/71/08/73/925710873.db2.gz YNYVSIFGYMXIEV-WDEREUQCSA-N 1 1 321.385 -1.185 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410330921 925711806 /nfs/dbraw/zinc/71/18/06/925711806.db2.gz GVFXTJFJRCEIMG-WPRPVWTQSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410330921 925711811 /nfs/dbraw/zinc/71/18/11/925711811.db2.gz GVFXTJFJRCEIMG-WPRPVWTQSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1(NC(N)=O)CC1 ZINC001410348646 925711952 /nfs/dbraw/zinc/71/19/52/925711952.db2.gz MOMHEHFMGXWZNM-VHSXEESVSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001410389301 925715664 /nfs/dbraw/zinc/71/56/64/925715664.db2.gz NVOOWJPQUHGEPA-VIFPVBQESA-N 1 1 312.378 -1.534 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)CC[NH+]1CCOCC1 ZINC001410410572 925716430 /nfs/dbraw/zinc/71/64/30/925716430.db2.gz IEWYXVMNSSUUJT-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001410439423 925718092 /nfs/dbraw/zinc/71/80/92/925718092.db2.gz ORQPPAJZZURBHM-VHSXEESVSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001410450741 925720229 /nfs/dbraw/zinc/72/02/29/925720229.db2.gz VIVVAEDRADJBDJ-ZMLRMANQSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001410450460 925720379 /nfs/dbraw/zinc/72/03/79/925720379.db2.gz VVTZXRQFQQNXSZ-NXEZZACHSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001410450484 925720732 /nfs/dbraw/zinc/72/07/32/925720732.db2.gz VVTZXRQFQQNXSZ-ZJUUUORDSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CCN1CCNC1=O ZINC001410471475 925721354 /nfs/dbraw/zinc/72/13/54/925721354.db2.gz GEZPHRPLFLNOJA-JTQLQIEISA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)Cn1cncn1 ZINC001410477711 925721874 /nfs/dbraw/zinc/72/18/74/925721874.db2.gz FLUSFUQYKFZDQP-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1nccs1 ZINC001410539730 925725336 /nfs/dbraw/zinc/72/53/36/925725336.db2.gz YXOYCXBXALBJHI-QMMMGPOBSA-N 1 1 302.356 -1.205 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001410541428 925725471 /nfs/dbraw/zinc/72/54/71/925725471.db2.gz BXLPSTGCCKJWMD-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410545751 925725967 /nfs/dbraw/zinc/72/59/67/925725967.db2.gz GESSNWLUEXZIES-NSHDSACASA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001410561434 925727530 /nfs/dbraw/zinc/72/75/30/925727530.db2.gz QRCTXRFBEWDTBE-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410569626 925728743 /nfs/dbraw/zinc/72/87/43/925728743.db2.gz ISAYTEHZBDZSMO-ZWNOBZJWSA-N 1 1 323.397 -1.079 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410569607 925728970 /nfs/dbraw/zinc/72/89/70/925728970.db2.gz ISAYTEHZBDZSMO-GXFFZTMASA-N 1 1 323.397 -1.079 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cccn2)nn1 ZINC001410565589 925729072 /nfs/dbraw/zinc/72/90/72/925729072.db2.gz HTTNYSKBWFEYQK-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CNC(=O)C2CC2)cn1 ZINC001410580334 925732589 /nfs/dbraw/zinc/73/25/89/925732589.db2.gz LKAXOUZVNHMERL-ZDUSSCGKSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)ncn1 ZINC001410580857 925733000 /nfs/dbraw/zinc/73/30/00/925733000.db2.gz VHWMTIRMYNNQMY-NSHDSACASA-N 1 1 306.330 -1.962 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001410582680 925733367 /nfs/dbraw/zinc/73/33/67/925733367.db2.gz OLMDKYDZXXGNMC-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001410582680 925733375 /nfs/dbraw/zinc/73/33/75/925733375.db2.gz OLMDKYDZXXGNMC-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001410580351 925733729 /nfs/dbraw/zinc/73/37/29/925733729.db2.gz FLIREXLRZPPJDD-GFCCVEGCSA-N 1 1 309.370 -1.122 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)c1 ZINC001410590454 925737624 /nfs/dbraw/zinc/73/76/24/925737624.db2.gz OUGQVHCXHPRJCG-WCQYABFASA-N 1 1 322.365 -1.065 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001410628213 925741894 /nfs/dbraw/zinc/74/18/94/925741894.db2.gz QVYDJUZTLXHGGX-UWVGGRQHSA-N 1 1 310.358 -2.047 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001410633055 925742139 /nfs/dbraw/zinc/74/21/39/925742139.db2.gz BRIDYQBEKBGFSA-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001410633094 925743784 /nfs/dbraw/zinc/74/37/84/925743784.db2.gz BRIDYQBEKBGFSA-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001410641253 925744812 /nfs/dbraw/zinc/74/48/12/925744812.db2.gz WQNOYUWHYRQSHZ-SECBINFHSA-N 1 1 314.342 -1.159 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410641802 925745488 /nfs/dbraw/zinc/74/54/88/925745488.db2.gz CCTDWZZPGPZCCZ-STQMWFEESA-N 1 1 312.414 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410641791 925746270 /nfs/dbraw/zinc/74/62/70/925746270.db2.gz CCTDWZZPGPZCCZ-CHWSQXEVSA-N 1 1 312.414 -1.517 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C ZINC001410648851 925746294 /nfs/dbraw/zinc/74/62/94/925746294.db2.gz UMSSNLWUROVKRS-JTQLQIEISA-N 1 1 313.358 -1.131 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)n1 ZINC001410648083 925746466 /nfs/dbraw/zinc/74/64/66/925746466.db2.gz SMPCQDJUIBNIPX-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ncc(C)s1 ZINC001410656793 925750272 /nfs/dbraw/zinc/75/02/72/925750272.db2.gz TZHXVCJAUMWSEJ-VIFPVBQESA-N 1 1 315.399 -1.053 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1cnn[nH]1 ZINC001410683899 925755014 /nfs/dbraw/zinc/75/50/14/925755014.db2.gz FXHAWISMYZSQMB-BDAKNGLRSA-N 1 1 306.330 -1.736 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)cn1 ZINC001410677511 925756387 /nfs/dbraw/zinc/75/63/87/925756387.db2.gz YBMYNVSXKLFZES-YPMHNXCESA-N 1 1 321.381 -1.122 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001410694946 925758887 /nfs/dbraw/zinc/75/88/87/925758887.db2.gz MUTAQIWMOAAHAR-XQHKEYJVSA-N 1 1 323.393 -1.026 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001410694946 925758895 /nfs/dbraw/zinc/75/88/95/925758895.db2.gz MUTAQIWMOAAHAR-XQHKEYJVSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(CCCF)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410689862 925758975 /nfs/dbraw/zinc/75/89/75/925758975.db2.gz ATZULJLORLVQGS-SNVBAGLBSA-N 1 1 318.349 -2.239 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410703558 925760727 /nfs/dbraw/zinc/76/07/27/925760727.db2.gz DAEJADSUWCFWJI-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CCc1onc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001410701296 925760974 /nfs/dbraw/zinc/76/09/74/925760974.db2.gz APTGLSFHGMWHGL-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001410700050 925761471 /nfs/dbraw/zinc/76/14/71/925761471.db2.gz NYBKIYPVSJVCKO-JTQLQIEISA-N 1 1 323.397 -1.096 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001410699561 925761685 /nfs/dbraw/zinc/76/16/85/925761685.db2.gz KMARNFBUZIRFMD-ZDUSSCGKSA-N 1 1 311.386 -1.226 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410708602 925763224 /nfs/dbraw/zinc/76/32/24/925763224.db2.gz QBLDRPUBBGCEGP-PWSUYJOCSA-N 1 1 323.397 -1.093 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H](CO)NCC(=O)N1CCCC1 ZINC001410727278 925766808 /nfs/dbraw/zinc/76/68/08/925766808.db2.gz JMBCNGWHCICJJA-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)ncn1 ZINC001410724917 925767606 /nfs/dbraw/zinc/76/76/06/925767606.db2.gz KEDBKJBSJNQEGV-NSHDSACASA-N 1 1 318.337 -1.251 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NCC(=O)NC2CC2)CC1 ZINC001410725561 925768002 /nfs/dbraw/zinc/76/80/02/925768002.db2.gz IACRSLASJPGPEF-ZDUSSCGKSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)ncn1 ZINC001410724911 925768181 /nfs/dbraw/zinc/76/81/81/925768181.db2.gz KEDBKJBSJNQEGV-LLVKDONJSA-N 1 1 318.337 -1.251 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001410734105 925769422 /nfs/dbraw/zinc/76/94/22/925769422.db2.gz WAYNCQOXOCOZJR-JHEVNIALSA-N 1 1 309.370 -1.051 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410732257 925769642 /nfs/dbraw/zinc/76/96/42/925769642.db2.gz SKFKBBRUKKYVRL-GFCCVEGCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001410728752 925770271 /nfs/dbraw/zinc/77/02/71/925770271.db2.gz KFDGSMWJOYBMQH-RKDXNWHRSA-N 1 1 303.363 -2.412 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001410740943 925770952 /nfs/dbraw/zinc/77/09/52/925770952.db2.gz YEZWTYDUDYWZGM-CYBMUJFWSA-N 1 1 309.370 -1.170 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001410750835 925771550 /nfs/dbraw/zinc/77/15/50/925771550.db2.gz CJLSAWPNIAAJAB-SNVBAGLBSA-N 1 1 307.358 -1.170 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754554 925771858 /nfs/dbraw/zinc/77/18/58/925771858.db2.gz OTMHBJOZYQYNLC-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754554 925771867 /nfs/dbraw/zinc/77/18/67/925771867.db2.gz OTMHBJOZYQYNLC-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)COc1cccnc1 ZINC001410764236 925774213 /nfs/dbraw/zinc/77/42/13/925774213.db2.gz DOKNHUVMKXDVDS-LLVKDONJSA-N 1 1 320.353 -1.144 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001410770506 925776150 /nfs/dbraw/zinc/77/61/50/925776150.db2.gz OCERXZQYHNBXQH-MRVPVSSYSA-N 1 1 311.371 -1.226 20 0 DAADMO NC(=O)NC(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410775895 925778883 /nfs/dbraw/zinc/77/88/83/925778883.db2.gz APHBGFUAAFFZPK-VIFPVBQESA-N 1 1 301.347 -2.656 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410776342 925778962 /nfs/dbraw/zinc/77/89/62/925778962.db2.gz BWNSTAYAMGGSJB-LLVKDONJSA-N 1 1 324.385 -1.546 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)nn1C ZINC001410783376 925780763 /nfs/dbraw/zinc/78/07/63/925780763.db2.gz WLZOGIUKAMEPOR-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001410797541 925783468 /nfs/dbraw/zinc/78/34/68/925783468.db2.gz IMULQJHKUBMMAB-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001410814025 925786330 /nfs/dbraw/zinc/78/63/30/925786330.db2.gz QYGFZQKDLDPEGJ-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001410814020 925787146 /nfs/dbraw/zinc/78/71/46/925787146.db2.gz QYGFZQKDLDPEGJ-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001410843148 925788680 /nfs/dbraw/zinc/78/86/80/925788680.db2.gz QFJFDTRMWDQVLD-DTWKUNHWSA-N 1 1 311.346 -1.355 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)CNC(=O)NC)C1 ZINC001410903484 925793153 /nfs/dbraw/zinc/79/31/53/925793153.db2.gz YVPZGRWGNLVUMA-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001410907707 925793379 /nfs/dbraw/zinc/79/33/79/925793379.db2.gz BPSWQVBUMNYXPL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001410907707 925793388 /nfs/dbraw/zinc/79/33/88/925793388.db2.gz BPSWQVBUMNYXPL-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001410945405 925794576 /nfs/dbraw/zinc/79/45/76/925794576.db2.gz CURGUZQGWXQEBX-NXEZZACHSA-N 1 1 324.389 -1.486 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001410974476 925797146 /nfs/dbraw/zinc/79/71/46/925797146.db2.gz HMCIWKCYEDVVKH-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCNC(=O)C1 ZINC001410969069 925797734 /nfs/dbraw/zinc/79/77/34/925797734.db2.gz CUVNOQOPQJZJDH-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001410980220 925798388 /nfs/dbraw/zinc/79/83/88/925798388.db2.gz LLHLLMLJGKIAPG-ZYHUDNBSSA-N 1 1 322.373 -1.423 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001410995838 925800312 /nfs/dbraw/zinc/80/03/12/925800312.db2.gz XFBWDAMVBJLBQX-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccon1)c1nnnn1C ZINC001411000882 925800626 /nfs/dbraw/zinc/80/06/26/925800626.db2.gz ITIVJHZOQKTWTM-MWLCHTKSSA-N 1 1 323.357 -1.089 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn(C)nn2)nn1 ZINC001411051669 925803987 /nfs/dbraw/zinc/80/39/87/925803987.db2.gz ABSSJOICLMIKEA-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNCc1nnnn1C ZINC001411047478 925805634 /nfs/dbraw/zinc/80/56/34/925805634.db2.gz JGJLIUPTMAAPMA-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn[nH]c(=O)c1 ZINC001411066007 925806377 /nfs/dbraw/zinc/80/63/77/925806377.db2.gz HMXTWMZYALLYDF-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnco1)c1nnnn1C ZINC001411056059 925806494 /nfs/dbraw/zinc/80/64/94/925806494.db2.gz ABJIEFZDKLIQEH-RKDXNWHRSA-N 1 1 309.330 -1.018 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001411060388 925806574 /nfs/dbraw/zinc/80/65/74/925806574.db2.gz DRYMXSTYBMRJRW-NXEZZACHSA-N 1 1 310.358 -1.586 20 0 DAADMO COC1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001411055276 925806950 /nfs/dbraw/zinc/80/69/50/925806950.db2.gz AANINTPCYUYMOR-HSOILSAZSA-N 1 1 312.374 -1.456 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411062978 925807157 /nfs/dbraw/zinc/80/71/57/925807157.db2.gz FCYYHAHWJUMBMZ-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CCn1ccnn1 ZINC001411059182 925807810 /nfs/dbraw/zinc/80/78/10/925807810.db2.gz GEHYMJKHAAIBGK-LLVKDONJSA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001411079460 925808383 /nfs/dbraw/zinc/80/83/83/925808383.db2.gz LFHIWUIHCBZNSQ-SECBINFHSA-N 1 1 313.358 -1.764 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)no1 ZINC001411067369 925808557 /nfs/dbraw/zinc/80/85/57/925808557.db2.gz BJPVIPFDVLULMO-MNOVXSKESA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001411070195 925808641 /nfs/dbraw/zinc/80/86/41/925808641.db2.gz DAEZZMRAKKFJPM-MFKMUULPSA-N 1 1 311.342 -1.353 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)C1 ZINC001411073594 925809156 /nfs/dbraw/zinc/80/91/56/925809156.db2.gz OEZVCEARIYUHBQ-CYBMUJFWSA-N 1 1 324.385 -1.798 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)nn1 ZINC001411072178 925809301 /nfs/dbraw/zinc/80/93/01/925809301.db2.gz VNSGOHRMFVOVKX-SNVBAGLBSA-N 1 1 308.346 -1.361 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001411084603 925809748 /nfs/dbraw/zinc/80/97/48/925809748.db2.gz FLKMIGNSOMEYLG-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001411092023 925810658 /nfs/dbraw/zinc/81/06/58/925810658.db2.gz UZCMQTSLKVSRSN-UWVGGRQHSA-N 1 1 311.346 -2.595 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c2[nH]nnc2C)C1=O ZINC001411087168 925810670 /nfs/dbraw/zinc/81/06/70/925810670.db2.gz YHVOYTPNEWWRKU-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001411107461 925812759 /nfs/dbraw/zinc/81/27/59/925812759.db2.gz WCIHROKNRGDAOV-GXSJLCMTSA-N 1 1 322.373 -1.354 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC(=O)N1C ZINC001411107788 925813122 /nfs/dbraw/zinc/81/31/22/925813122.db2.gz YTZYBZVAJHJWOF-NEPJUHHUSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001411107473 925813831 /nfs/dbraw/zinc/81/38/31/925813831.db2.gz WCIHROKNRGDAOV-KOLCDFICSA-N 1 1 322.373 -1.354 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001411100385 925813851 /nfs/dbraw/zinc/81/38/51/925813851.db2.gz ICEKWGLNOINBST-PWSUYJOCSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001411107489 925814454 /nfs/dbraw/zinc/81/44/54/925814454.db2.gz WCIHROKNRGDAOV-ONGXEEELSA-N 1 1 322.373 -1.354 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129599 925814955 /nfs/dbraw/zinc/81/49/55/925814955.db2.gz RTXBJBXYILOQRR-NWDGAFQWSA-N 1 1 310.402 -1.026 20 0 DAADMO Cc1nnc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129590 925816214 /nfs/dbraw/zinc/81/62/14/925816214.db2.gz RTXBJBXYILOQRR-NEPJUHHUSA-N 1 1 310.402 -1.026 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129623 925816732 /nfs/dbraw/zinc/81/67/32/925816732.db2.gz RTXBJBXYILOQRR-VXGBXAGGSA-N 1 1 310.402 -1.026 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001411131547 925818056 /nfs/dbraw/zinc/81/80/56/925818056.db2.gz WQKHFCULEYRSKU-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411150548 925819862 /nfs/dbraw/zinc/81/98/62/925819862.db2.gz LMTIBSZCCOOGNO-JTQLQIEISA-N 1 1 310.354 -1.102 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411150548 925819870 /nfs/dbraw/zinc/81/98/70/925819870.db2.gz LMTIBSZCCOOGNO-JTQLQIEISA-N 1 1 310.354 -1.102 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001411143928 925820107 /nfs/dbraw/zinc/82/01/07/925820107.db2.gz GIZAVHRPYLNPOQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143928 925820119 /nfs/dbraw/zinc/82/01/19/925820119.db2.gz GIZAVHRPYLNPOQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143928 925820123 /nfs/dbraw/zinc/82/01/23/925820123.db2.gz GIZAVHRPYLNPOQ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001411146854 925820699 /nfs/dbraw/zinc/82/06/99/925820699.db2.gz GAUWSXBRYKGWGO-RYUDHWBXSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001411146854 925820707 /nfs/dbraw/zinc/82/07/07/925820707.db2.gz GAUWSXBRYKGWGO-RYUDHWBXSA-N 1 1 317.386 -1.759 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001411162201 925824141 /nfs/dbraw/zinc/82/41/41/925824141.db2.gz HJSJTEWEZQDZLZ-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411162450 925824182 /nfs/dbraw/zinc/82/41/82/925824182.db2.gz KMROQIXSCUVBQC-GHMZBOCLSA-N 1 1 300.363 -1.541 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)ccn1 ZINC001411165302 925824284 /nfs/dbraw/zinc/82/42/84/925824284.db2.gz LQUIWALERHAMQK-NSHDSACASA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)ccn1 ZINC001411165302 925824292 /nfs/dbraw/zinc/82/42/92/925824292.db2.gz LQUIWALERHAMQK-NSHDSACASA-N 1 1 310.354 -1.060 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411162457 925824728 /nfs/dbraw/zinc/82/47/28/925824728.db2.gz KMROQIXSCUVBQC-QWRGUYRKSA-N 1 1 300.363 -1.541 20 0 DAADMO COc1c[nH]c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)cc1=O ZINC001411167726 925824742 /nfs/dbraw/zinc/82/47/42/925824742.db2.gz FALCZUDCQJTZIU-JTQLQIEISA-N 1 1 313.354 -1.260 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163693 925824857 /nfs/dbraw/zinc/82/48/57/925824857.db2.gz MHQAZMPNLKWFPE-ZJUUUORDSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163693 925824868 /nfs/dbraw/zinc/82/48/68/925824868.db2.gz MHQAZMPNLKWFPE-ZJUUUORDSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1cc(C2CC2)cn1 ZINC001411173053 925827175 /nfs/dbraw/zinc/82/71/75/925827175.db2.gz ZUDQNGIPMHBOFS-CYBMUJFWSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1cc(C2CC2)cn1 ZINC001411173053 925827181 /nfs/dbraw/zinc/82/71/81/925827181.db2.gz ZUDQNGIPMHBOFS-CYBMUJFWSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1ncn(C)n1 ZINC001411175359 925827922 /nfs/dbraw/zinc/82/79/22/925827922.db2.gz YDFBLRDGYWKJSJ-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1ncn(C)n1 ZINC001411175359 925827933 /nfs/dbraw/zinc/82/79/33/925827933.db2.gz YDFBLRDGYWKJSJ-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCNC1=O ZINC001411171052 925828170 /nfs/dbraw/zinc/82/81/70/925828170.db2.gz XAXZNKWPRVRJIZ-NSHDSACASA-N 1 1 302.375 -1.855 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1c(Cl)cnn1C ZINC001411172531 925828287 /nfs/dbraw/zinc/82/82/87/925828287.db2.gz UINANRJAWOZSQK-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1c(Cl)cnn1C ZINC001411172531 925828295 /nfs/dbraw/zinc/82/82/95/925828295.db2.gz UINANRJAWOZSQK-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001411173164 925828722 /nfs/dbraw/zinc/82/87/22/925828722.db2.gz VOOJOFPCPKEELC-VIFPVBQESA-N 1 1 314.346 -2.880 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001411176806 925828955 /nfs/dbraw/zinc/82/89/55/925828955.db2.gz FNJNKQHLLPIYFP-NSHDSACASA-N 1 1 316.402 -1.615 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001411176806 925828961 /nfs/dbraw/zinc/82/89/61/925828961.db2.gz FNJNKQHLLPIYFP-NSHDSACASA-N 1 1 316.402 -1.615 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001411180206 925829194 /nfs/dbraw/zinc/82/91/94/925829194.db2.gz OEYUIJBOMVNAOI-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001411180206 925829204 /nfs/dbraw/zinc/82/92/04/925829204.db2.gz OEYUIJBOMVNAOI-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001411180323 925829461 /nfs/dbraw/zinc/82/94/61/925829461.db2.gz AJMLULKXZLVNAK-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nn1 ZINC001411183617 925829515 /nfs/dbraw/zinc/82/95/15/925829515.db2.gz WBKPVQNKXFOQEQ-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nn1 ZINC001411183617 925829525 /nfs/dbraw/zinc/82/95/25/925829525.db2.gz WBKPVQNKXFOQEQ-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001411180315 925829800 /nfs/dbraw/zinc/82/98/00/925829800.db2.gz AJMLULKXZLVNAK-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)C1 ZINC001411192306 925830155 /nfs/dbraw/zinc/83/01/55/925830155.db2.gz YVFLWPDICAVLNB-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)C1 ZINC001411192306 925830168 /nfs/dbraw/zinc/83/01/68/925830168.db2.gz YVFLWPDICAVLNB-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC1CC1 ZINC001411183296 925830650 /nfs/dbraw/zinc/83/06/50/925830650.db2.gz FGROTWXHPJDROI-LLVKDONJSA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189769 925830706 /nfs/dbraw/zinc/83/07/06/925830706.db2.gz SJNVOQJKMTWWSM-GHMZBOCLSA-N 1 1 324.443 -1.059 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189769 925830713 /nfs/dbraw/zinc/83/07/13/925830713.db2.gz SJNVOQJKMTWWSM-GHMZBOCLSA-N 1 1 324.443 -1.059 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001411180210 925830847 /nfs/dbraw/zinc/83/08/47/925830847.db2.gz OEYUIJBOMVNAOI-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001411180210 925830855 /nfs/dbraw/zinc/83/08/55/925830855.db2.gz OEYUIJBOMVNAOI-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189772 925831011 /nfs/dbraw/zinc/83/10/11/925831011.db2.gz SJNVOQJKMTWWSM-MNOVXSKESA-N 1 1 324.443 -1.059 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189772 925831021 /nfs/dbraw/zinc/83/10/21/925831021.db2.gz SJNVOQJKMTWWSM-MNOVXSKESA-N 1 1 324.443 -1.059 20 0 DAADMO CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)CN1CCNC(=O)C1 ZINC001411198550 925831440 /nfs/dbraw/zinc/83/14/40/925831440.db2.gz IGJXYLWXHDKBTB-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190838 925831518 /nfs/dbraw/zinc/83/15/18/925831518.db2.gz NOAAAPOWLLYPGU-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC001411184766 925832090 /nfs/dbraw/zinc/83/20/90/925832090.db2.gz OJPIZBSPNQYJON-LBPRGKRZSA-N 1 1 321.443 -1.512 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001411186060 925832127 /nfs/dbraw/zinc/83/21/27/925832127.db2.gz CWRCSITWBJEXED-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C(=O)Cn1cnnn1)C(C)C ZINC001411186060 925832135 /nfs/dbraw/zinc/83/21/35/925832135.db2.gz CWRCSITWBJEXED-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001411180319 925832376 /nfs/dbraw/zinc/83/23/76/925832376.db2.gz AJMLULKXZLVNAK-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C[C@H](C)O ZINC001411216464 925833151 /nfs/dbraw/zinc/83/31/51/925833151.db2.gz NXEVSHFNUQGPKN-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C[C@@H](C)O ZINC001411216460 925833598 /nfs/dbraw/zinc/83/35/98/925833598.db2.gz NXEVSHFNUQGPKN-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO COC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001411238372 925834619 /nfs/dbraw/zinc/83/46/19/925834619.db2.gz NVQUQVXTLAXAKI-UHFFFAOYSA-N 1 1 311.346 -1.355 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(N)=O ZINC001411225426 925834856 /nfs/dbraw/zinc/83/48/56/925834856.db2.gz JKYOBJAEYVHDPS-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001411492231 925841933 /nfs/dbraw/zinc/84/19/33/925841933.db2.gz MCPLNHOTBNQYNH-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001411642017 925848716 /nfs/dbraw/zinc/84/87/16/925848716.db2.gz IGBMYJGFXNOOSG-TUAOUCFPSA-N 1 1 321.385 -1.079 20 0 DAADMO Cc1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001411702156 925851319 /nfs/dbraw/zinc/85/13/19/925851319.db2.gz XXQPCIVQFRVNCD-FZMZJTMJSA-N 1 1 308.386 -1.035 20 0 DAADMO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001411994134 925867205 /nfs/dbraw/zinc/86/72/05/925867205.db2.gz ZSDKMFIRAZDERF-KWQFWETISA-N 1 1 305.356 -2.918 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001411994134 925867213 /nfs/dbraw/zinc/86/72/13/925867213.db2.gz ZSDKMFIRAZDERF-KWQFWETISA-N 1 1 305.356 -2.918 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001412104967 925872688 /nfs/dbraw/zinc/87/26/88/925872688.db2.gz BBDGUDIWMJHACX-UWVGGRQHSA-N 1 1 303.384 -1.525 20 0 DAADMO C[C@H](O)c1cn(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)nn1 ZINC001412110038 925873748 /nfs/dbraw/zinc/87/37/48/925873748.db2.gz NJNFARLUBFMGQT-TUAOUCFPSA-N 1 1 309.370 -1.001 20 0 DAADMO NS(=O)(=O)C1(C(=O)NC2CC([NH+]3CCOCC3)C2)CC1 ZINC001412279107 925884413 /nfs/dbraw/zinc/88/44/13/925884413.db2.gz NTYHJRXKWITKQW-UHFFFAOYSA-N 1 1 303.384 -1.213 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H](CO)NC(N)=O)C1 ZINC001412296079 925885177 /nfs/dbraw/zinc/88/51/77/925885177.db2.gz BQLUJQMAHIZTMW-LLVKDONJSA-N 1 1 318.374 -2.179 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001412308923 925885563 /nfs/dbraw/zinc/88/55/63/925885563.db2.gz NONCKPBXHVMLQJ-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001412380278 925890325 /nfs/dbraw/zinc/89/03/25/925890325.db2.gz NWUFSUQVIMTVQP-NSHDSACASA-N 1 1 317.411 -1.135 20 0 DAADMO C[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC001412399575 925892136 /nfs/dbraw/zinc/89/21/36/925892136.db2.gz LJGKANBWYAFCGY-GARJFASQSA-N 1 1 311.386 -2.333 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC001412407745 925893297 /nfs/dbraw/zinc/89/32/97/925893297.db2.gz SLMBLAOQXFKIOZ-CKYFFXLPSA-N 1 1 306.384 -1.893 20 0 DAADMO CC(C)CS(=O)(=O)CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001412457797 925900244 /nfs/dbraw/zinc/90/02/44/925900244.db2.gz HZOPMUXBCPHQCH-ZDUSSCGKSA-N 1 1 322.427 -1.086 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412466581 925901686 /nfs/dbraw/zinc/90/16/86/925901686.db2.gz SHFLDXWDZORDSM-NOZJJQNGSA-N 1 1 302.375 -1.464 20 0 DAADMO Cn1nccc1C1(O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001412514650 925905988 /nfs/dbraw/zinc/90/59/88/925905988.db2.gz USKWMPAPJVOVCI-UHFFFAOYSA-N 1 1 307.398 -1.057 20 0 DAADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H](CO)NC(N)=O ZINC001412531225 925907885 /nfs/dbraw/zinc/90/78/85/925907885.db2.gz XJLDMNUBODWJBU-GFCCVEGCSA-N 1 1 315.418 -1.500 20 0 DAADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H](CO)NC(N)=O ZINC001412531225 925907894 /nfs/dbraw/zinc/90/78/94/925907894.db2.gz XJLDMNUBODWJBU-GFCCVEGCSA-N 1 1 315.418 -1.500 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001412521650 925908028 /nfs/dbraw/zinc/90/80/28/925908028.db2.gz WOERKOAZAFMIGV-XPTSAGLGSA-N 1 1 320.353 -1.169 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001412542868 925909947 /nfs/dbraw/zinc/90/99/47/925909947.db2.gz YSNIHTILQLZDRC-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001412580208 925912799 /nfs/dbraw/zinc/91/27/99/925912799.db2.gz UWFLXDKZSJPKKB-NXEZZACHSA-N 1 1 309.374 -1.873 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001412570732 925913721 /nfs/dbraw/zinc/91/37/21/925913721.db2.gz CCLNNXYAWZFZJN-ZMLRMANQSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001412570732 925913742 /nfs/dbraw/zinc/91/37/42/925913742.db2.gz CCLNNXYAWZFZJN-ZMLRMANQSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001412570732 925913748 /nfs/dbraw/zinc/91/37/48/925913748.db2.gz CCLNNXYAWZFZJN-ZMLRMANQSA-N 1 1 313.402 -1.883 20 0 DAADMO CCc1[nH+]ccn1CCNC(=O)CNS(=O)(=O)N(C)C ZINC001412588704 925914987 /nfs/dbraw/zinc/91/49/87/925914987.db2.gz FTBBZGWXCJTCOD-UHFFFAOYSA-N 1 1 303.388 -1.042 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001412603817 925915331 /nfs/dbraw/zinc/91/53/31/925915331.db2.gz GHJYSVIWXHNVLJ-SNVBAGLBSA-N 1 1 305.375 -1.088 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001412660955 925921072 /nfs/dbraw/zinc/92/10/72/925921072.db2.gz JNHHQIDVYUOKLY-HOSYDEDBSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001412684369 925923041 /nfs/dbraw/zinc/92/30/41/925923041.db2.gz GVEXLPJRTOQASK-MRVPVSSYSA-N 1 1 301.372 -1.083 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C1 ZINC001412684369 925923046 /nfs/dbraw/zinc/92/30/46/925923046.db2.gz GVEXLPJRTOQASK-MRVPVSSYSA-N 1 1 301.372 -1.083 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C1 ZINC001412684369 925923050 /nfs/dbraw/zinc/92/30/50/925923050.db2.gz GVEXLPJRTOQASK-MRVPVSSYSA-N 1 1 301.372 -1.083 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001412723966 925928387 /nfs/dbraw/zinc/92/83/87/925928387.db2.gz JHAZSSDYXCKFQR-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1CC([NH2+]C2COC2)C1 ZINC001412732330 925929045 /nfs/dbraw/zinc/92/90/45/925929045.db2.gz CTPCHIAAIHSWDJ-UHFFFAOYSA-N 1 1 304.310 -1.910 20 0 DAADMO CC(F)(F)C(=O)NC[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412743424 925930635 /nfs/dbraw/zinc/93/06/35/925930635.db2.gz FYRNKGJLEKTBKK-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO CC(F)(F)C(=O)NC[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412743428 925933077 /nfs/dbraw/zinc/93/30/77/925933077.db2.gz FYRNKGJLEKTBKK-SNVBAGLBSA-N 1 1 323.340 -1.043 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001412757923 925937324 /nfs/dbraw/zinc/93/73/24/925937324.db2.gz SXUGICSVRJZZEX-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001412768245 925939399 /nfs/dbraw/zinc/93/93/99/925939399.db2.gz CHPSRKFSOUDAEG-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001412771875 925940721 /nfs/dbraw/zinc/94/07/21/925940721.db2.gz FMIFOXUDHSTESR-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)C)C1 ZINC001412769866 925941017 /nfs/dbraw/zinc/94/10/17/925941017.db2.gz WADDALDANQPMJE-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)C)C1 ZINC001412769866 925941024 /nfs/dbraw/zinc/94/10/24/925941024.db2.gz WADDALDANQPMJE-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001412775388 925942022 /nfs/dbraw/zinc/94/20/22/925942022.db2.gz SXVVBDALWAUREQ-NWDGAFQWSA-N 1 1 310.354 -1.036 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001412776626 925942161 /nfs/dbraw/zinc/94/21/61/925942161.db2.gz UJSCLPIAXHWROC-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCO1 ZINC001412775425 925942619 /nfs/dbraw/zinc/94/26/19/925942619.db2.gz SXVVBDALWAUREQ-VXGBXAGGSA-N 1 1 310.354 -1.036 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001412775345 925942897 /nfs/dbraw/zinc/94/28/97/925942897.db2.gz SXVVBDALWAUREQ-NEPJUHHUSA-N 1 1 310.354 -1.036 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnsn1 ZINC001412783606 925945761 /nfs/dbraw/zinc/94/57/61/925945761.db2.gz OSTBGYLQYXBILS-WCBMZHEXSA-N 1 1 313.383 -1.161 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001412786943 925946968 /nfs/dbraw/zinc/94/69/68/925946968.db2.gz IDPOYWSSHKXEIM-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787457 925947524 /nfs/dbraw/zinc/94/75/24/925947524.db2.gz VVMWXWGXQLXBRC-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787457 925947534 /nfs/dbraw/zinc/94/75/34/925947534.db2.gz VVMWXWGXQLXBRC-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001412800457 925951166 /nfs/dbraw/zinc/95/11/66/925951166.db2.gz QRAMMPQHSXPIRZ-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001412799941 925951402 /nfs/dbraw/zinc/95/14/02/925951402.db2.gz CBNINPLZHVFFLB-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001412799941 925951407 /nfs/dbraw/zinc/95/14/07/925951407.db2.gz CBNINPLZHVFFLB-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001412799860 925951541 /nfs/dbraw/zinc/95/15/41/925951541.db2.gz CBNINPLZHVFFLB-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001412799860 925951551 /nfs/dbraw/zinc/95/15/51/925951551.db2.gz CBNINPLZHVFFLB-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001412800960 925952156 /nfs/dbraw/zinc/95/21/56/925952156.db2.gz RIVOFPOXTUMPRQ-KOLCDFICSA-N 1 1 310.358 -1.884 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C2=C3CCCN=C3NN2)CC1 ZINC001412805604 925952662 /nfs/dbraw/zinc/95/26/62/925952662.db2.gz KDMYERFCUXNMEH-UHFFFAOYSA-N 1 1 306.370 -1.569 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001412806557 925953485 /nfs/dbraw/zinc/95/34/85/925953485.db2.gz HQUANIZEGKTFIS-DDHJBXDOSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1OC(=O)N[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001412804802 925954154 /nfs/dbraw/zinc/95/41/54/925954154.db2.gz FIRJPSYAYJIAKZ-KZWBYHQPSA-N 1 1 313.354 -1.175 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412807583 925954621 /nfs/dbraw/zinc/95/46/21/925954621.db2.gz UWKXUFRASRRIIH-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001412809667 925955819 /nfs/dbraw/zinc/95/58/19/925955819.db2.gz VXZPZWOZQQMMLQ-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412814339 925957430 /nfs/dbraw/zinc/95/74/30/925957430.db2.gz NGEZNMFYKQCTKN-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412814339 925957439 /nfs/dbraw/zinc/95/74/39/925957439.db2.gz NGEZNMFYKQCTKN-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818890 925957864 /nfs/dbraw/zinc/95/78/64/925957864.db2.gz QJUIZAHCERWRQJ-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818890 925957878 /nfs/dbraw/zinc/95/78/78/925957878.db2.gz QJUIZAHCERWRQJ-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001412827997 925959863 /nfs/dbraw/zinc/95/98/63/925959863.db2.gz KSUURPFHHCDKCV-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001412828363 925961560 /nfs/dbraw/zinc/96/15/60/925961560.db2.gz LXRUAZOQRXUBBC-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001412834903 925963536 /nfs/dbraw/zinc/96/35/36/925963536.db2.gz OEUWNNNRMSFUBB-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2nccnc2N)C1 ZINC001412842534 925964779 /nfs/dbraw/zinc/96/47/79/925964779.db2.gz HPOAAEMOVYZHGS-VHSXEESVSA-N 1 1 322.369 -1.783 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412848163 925966183 /nfs/dbraw/zinc/96/61/83/925966183.db2.gz NQWMFJNUTQXTGX-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001412852646 925967286 /nfs/dbraw/zinc/96/72/86/925967286.db2.gz POFFYJYKZJLMMG-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852646 925967291 /nfs/dbraw/zinc/96/72/91/925967291.db2.gz POFFYJYKZJLMMG-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852646 925967298 /nfs/dbraw/zinc/96/72/98/925967298.db2.gz POFFYJYKZJLMMG-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[N@@H+]1CCO ZINC001412851078 925967714 /nfs/dbraw/zinc/96/77/14/925967714.db2.gz WJNRGDVSIQSKLG-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[N@H+]1CCO ZINC001412851078 925967724 /nfs/dbraw/zinc/96/77/24/925967724.db2.gz WJNRGDVSIQSKLG-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412857565 925969314 /nfs/dbraw/zinc/96/93/14/925969314.db2.gz JOJOQZXDESBEOW-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)C)C1 ZINC001412861806 925970795 /nfs/dbraw/zinc/97/07/95/925970795.db2.gz DQXQWARYOJSEMP-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)C)C1 ZINC001412861806 925970803 /nfs/dbraw/zinc/97/08/03/925970803.db2.gz DQXQWARYOJSEMP-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864151 925971451 /nfs/dbraw/zinc/97/14/51/925971451.db2.gz ICXWPWMTBOTLFB-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864151 925971459 /nfs/dbraw/zinc/97/14/59/925971459.db2.gz ICXWPWMTBOTLFB-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412865782 925972799 /nfs/dbraw/zinc/97/27/99/925972799.db2.gz UZBCBGMRTJEALL-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCOC)C1 ZINC001412870849 925972938 /nfs/dbraw/zinc/97/29/38/925972938.db2.gz RGORLEQAONJBPY-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCOC)C1 ZINC001412870849 925972942 /nfs/dbraw/zinc/97/29/42/925972942.db2.gz RGORLEQAONJBPY-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001412869659 925973385 /nfs/dbraw/zinc/97/33/85/925973385.db2.gz PEXQFROJFNAPBY-KGYLQXTDSA-N 1 1 323.397 -1.033 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)COC)CC[N@H+]1C ZINC001412875662 925974360 /nfs/dbraw/zinc/97/43/60/925974360.db2.gz ZMWTVTFTFFCLRO-SDDRHHMPSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1nccn1 ZINC001412876342 925974463 /nfs/dbraw/zinc/97/44/63/925974463.db2.gz IKFQUCCQLHFPJW-NSHDSACASA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001412876411 925974984 /nfs/dbraw/zinc/97/49/84/925974984.db2.gz RILVLPVOFLKDOX-ONGXEEELSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001412876399 925975135 /nfs/dbraw/zinc/97/51/35/925975135.db2.gz RILVLPVOFLKDOX-KOLCDFICSA-N 1 1 323.353 -1.659 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)nn1 ZINC001412893054 925977181 /nfs/dbraw/zinc/97/71/81/925977181.db2.gz DCOOBMVRNDEOPP-UHFFFAOYSA-N 1 1 304.314 -1.551 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001412897951 925978318 /nfs/dbraw/zinc/97/83/18/925978318.db2.gz VMXCOJSIWJPKPD-GXSJLCMTSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897951 925978324 /nfs/dbraw/zinc/97/83/24/925978324.db2.gz VMXCOJSIWJPKPD-GXSJLCMTSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897951 925978337 /nfs/dbraw/zinc/97/83/37/925978337.db2.gz VMXCOJSIWJPKPD-GXSJLCMTSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001412907731 925981205 /nfs/dbraw/zinc/98/12/05/925981205.db2.gz SRPBGEMVEHHHGU-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001412910282 925981522 /nfs/dbraw/zinc/98/15/22/925981522.db2.gz VUZYOFLRVOOPIR-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ncccn1 ZINC001412910240 925982001 /nfs/dbraw/zinc/98/20/01/925982001.db2.gz WXTAIGMOEJZJKI-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412918929 925984325 /nfs/dbraw/zinc/98/43/25/925984325.db2.gz VFHZRPHSBQMWRX-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918929 925984334 /nfs/dbraw/zinc/98/43/34/925984334.db2.gz VFHZRPHSBQMWRX-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918929 925984344 /nfs/dbraw/zinc/98/43/44/925984344.db2.gz VFHZRPHSBQMWRX-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412918936 925984533 /nfs/dbraw/zinc/98/45/33/925984533.db2.gz VFHZRPHSBQMWRX-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918936 925984542 /nfs/dbraw/zinc/98/45/42/925984542.db2.gz VFHZRPHSBQMWRX-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918936 925984551 /nfs/dbraw/zinc/98/45/51/925984551.db2.gz VFHZRPHSBQMWRX-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001412930396 925986133 /nfs/dbraw/zinc/98/61/33/925986133.db2.gz DXBKXOWLRDLJMK-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cncn1 ZINC001412930291 925987050 /nfs/dbraw/zinc/98/70/50/925987050.db2.gz DRZXSWWPXBAJNY-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO COCC[N@H+](CCc1cn(CC(=O)OC)nn1)[C@H](C)C(N)=O ZINC001412945513 925990052 /nfs/dbraw/zinc/99/00/52/925990052.db2.gz WSLJHZYZZRPITK-SNVBAGLBSA-N 1 1 313.358 -1.184 20 0 DAADMO COCC[N@@H+](CCc1cn(CC(=O)OC)nn1)[C@H](C)C(N)=O ZINC001412945513 925990060 /nfs/dbraw/zinc/99/00/60/925990060.db2.gz WSLJHZYZZRPITK-SNVBAGLBSA-N 1 1 313.358 -1.184 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001412955812 925990925 /nfs/dbraw/zinc/99/09/25/925990925.db2.gz XOJVRNJFHQYKFJ-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001412955812 925990935 /nfs/dbraw/zinc/99/09/35/925990935.db2.gz XOJVRNJFHQYKFJ-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001412955577 925991182 /nfs/dbraw/zinc/99/11/82/925991182.db2.gz IVPBVGFMWMCHJE-FHUSYTEZSA-N 1 1 311.382 -1.576 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001412955780 925991431 /nfs/dbraw/zinc/99/14/31/925991431.db2.gz XOJVRNJFHQYKFJ-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001412955780 925991435 /nfs/dbraw/zinc/99/14/35/925991435.db2.gz XOJVRNJFHQYKFJ-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001412955578 925991507 /nfs/dbraw/zinc/99/15/07/925991507.db2.gz IVPBVGFMWMCHJE-JZRPKSSGSA-N 1 1 311.382 -1.576 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H](C)[N@@H+]1CCO ZINC001412969789 925995699 /nfs/dbraw/zinc/99/56/99/925995699.db2.gz LOJBVFSOZAUJRZ-TXEJJXNPSA-N 1 1 324.381 -1.540 20 0 DAADMO CC(C)(O)C[C@@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001412974255 925997082 /nfs/dbraw/zinc/99/70/82/925997082.db2.gz URUXOXVSIDAWEX-LLVKDONJSA-N 1 1 309.432 -1.586 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 ZINC001413007451 926001464 /nfs/dbraw/zinc/00/14/64/926001464.db2.gz CAFACJHSEXMFMA-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001413013448 926001714 /nfs/dbraw/zinc/00/17/14/926001714.db2.gz UHQGLOZVCJUIOC-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)c(=O)n(C)c1=O ZINC001413014000 926002288 /nfs/dbraw/zinc/00/22/88/926002288.db2.gz SEIPRAONURRPGB-SNVBAGLBSA-N 1 1 324.381 -1.057 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)c(=O)n(C)c1=O ZINC001413014000 926002296 /nfs/dbraw/zinc/00/22/96/926002296.db2.gz SEIPRAONURRPGB-SNVBAGLBSA-N 1 1 324.381 -1.057 20 0 DAADMO Cn1cc(C2=NC[C@@H](C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)O2)cn1 ZINC001413028286 926003185 /nfs/dbraw/zinc/00/31/85/926003185.db2.gz POQLNHBQRPKKPL-GARJFASQSA-N 1 1 320.353 -1.916 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001413032351 926005132 /nfs/dbraw/zinc/00/51/32/926005132.db2.gz ZDTJOFKMZIKYMF-BBBLOLIVSA-N 1 1 303.384 -1.670 20 0 DAADMO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001413039950 926005439 /nfs/dbraw/zinc/00/54/39/926005439.db2.gz UNEWYMDTSRSIMI-ZJUUUORDSA-N 1 1 319.383 -2.528 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001413032355 926005761 /nfs/dbraw/zinc/00/57/61/926005761.db2.gz ZDTJOFKMZIKYMF-LPEHRKFASA-N 1 1 303.384 -1.670 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](CO)[C@H](CO)C2)cn1 ZINC001413043997 926006201 /nfs/dbraw/zinc/00/62/01/926006201.db2.gz CVGHEZCYTLRHGW-PHIMTYICSA-N 1 1 318.399 -1.769 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](CO)[C@H](CO)C2)cn1 ZINC001413043997 926006211 /nfs/dbraw/zinc/00/62/11/926006211.db2.gz CVGHEZCYTLRHGW-PHIMTYICSA-N 1 1 318.399 -1.769 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001413053751 926006681 /nfs/dbraw/zinc/00/66/81/926006681.db2.gz OSBZGTWYPOCSRG-XQQFMLRXSA-N 1 1 322.427 -1.240 20 0 DAADMO CCN1CC[NH+](CCC(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC001413055730 926007266 /nfs/dbraw/zinc/00/72/66/926007266.db2.gz SQLTTYUCYMMZLG-ZDUSSCGKSA-N 1 1 310.402 -1.217 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCN21 ZINC001413066882 926008730 /nfs/dbraw/zinc/00/87/30/926008730.db2.gz IIXBOPNPDUNTCR-QWRGUYRKSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCN21 ZINC001413066882 926008740 /nfs/dbraw/zinc/00/87/40/926008740.db2.gz IIXBOPNPDUNTCR-QWRGUYRKSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCN21 ZINC001413066831 926008790 /nfs/dbraw/zinc/00/87/90/926008790.db2.gz IIXBOPNPDUNTCR-GHMZBOCLSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCN21 ZINC001413066831 926008796 /nfs/dbraw/zinc/00/87/96/926008796.db2.gz IIXBOPNPDUNTCR-GHMZBOCLSA-N 1 1 321.399 -2.277 20 0 DAADMO C[C@@](Cn1cccn1)([NH2+]CCN1CCCS1(=O)=O)C(N)=O ZINC001413078495 926010183 /nfs/dbraw/zinc/01/01/83/926010183.db2.gz NBNILCNIVACQQZ-LBPRGKRZSA-N 1 1 315.399 -1.248 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1)C(=O)C(F)F ZINC001413179876 926014184 /nfs/dbraw/zinc/01/41/84/926014184.db2.gz CYSXVEHUVLBTLA-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001413245823 926022074 /nfs/dbraw/zinc/02/20/74/926022074.db2.gz HSTNXWVAYJBVBW-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001413245823 926022085 /nfs/dbraw/zinc/02/20/85/926022085.db2.gz HSTNXWVAYJBVBW-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cnon1 ZINC001413285893 926028353 /nfs/dbraw/zinc/02/83/53/926028353.db2.gz GFYAUARBNSTFEZ-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001413289277 926028734 /nfs/dbraw/zinc/02/87/34/926028734.db2.gz UQUNSYNCCZSCOH-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001413289277 926028742 /nfs/dbraw/zinc/02/87/42/926028742.db2.gz UQUNSYNCCZSCOH-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001413289277 926028753 /nfs/dbraw/zinc/02/87/53/926028753.db2.gz UQUNSYNCCZSCOH-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001413311997 926032777 /nfs/dbraw/zinc/03/27/77/926032777.db2.gz XBXRWWGAKGRYMZ-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC001413311032 926033342 /nfs/dbraw/zinc/03/33/42/926033342.db2.gz XDCDBKJCLVKVKU-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001413328763 926036566 /nfs/dbraw/zinc/03/65/66/926036566.db2.gz AGOTTWGNBNRWAJ-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328763 926036577 /nfs/dbraw/zinc/03/65/77/926036577.db2.gz AGOTTWGNBNRWAJ-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328763 926036585 /nfs/dbraw/zinc/03/65/85/926036585.db2.gz AGOTTWGNBNRWAJ-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001413346077 926040391 /nfs/dbraw/zinc/04/03/91/926040391.db2.gz OQIYKYOYBGTXTI-ISTVAULSSA-N 1 1 312.370 -2.122 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413342860 926040499 /nfs/dbraw/zinc/04/04/99/926040499.db2.gz IQLUKQUUUXLDBD-GWOFURMSSA-N 1 1 309.370 -2.580 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001413346079 926040980 /nfs/dbraw/zinc/04/09/80/926040980.db2.gz OQIYKYOYBGTXTI-RULNRJAQSA-N 1 1 312.370 -2.122 20 0 DAADMO Cn1cnnc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001413361950 926043972 /nfs/dbraw/zinc/04/39/72/926043972.db2.gz YHIAYFQWIGSWEE-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1cnnc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001413361950 926043980 /nfs/dbraw/zinc/04/39/80/926043980.db2.gz YHIAYFQWIGSWEE-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1cnnc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001413361942 926044219 /nfs/dbraw/zinc/04/42/19/926044219.db2.gz YHIAYFQWIGSWEE-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1cnnc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001413361942 926044227 /nfs/dbraw/zinc/04/42/27/926044227.db2.gz YHIAYFQWIGSWEE-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NS(N)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001413365614 926045568 /nfs/dbraw/zinc/04/55/68/926045568.db2.gz IEQKAZCVKDANNJ-NXEZZACHSA-N 1 1 306.388 -2.165 20 0 DAADMO O=C(CCC(=O)N1CCC(O)CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001413391573 926047689 /nfs/dbraw/zinc/04/76/89/926047689.db2.gz JNGIHOGMWCWFKW-CYBMUJFWSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001413392246 926048152 /nfs/dbraw/zinc/04/81/52/926048152.db2.gz LIOKOFDJDDJWRU-UPJWGTAASA-N 1 1 321.381 -1.401 20 0 DAADMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001413398556 926048746 /nfs/dbraw/zinc/04/87/46/926048746.db2.gz YLWKRVAQNHKBOK-AOOOYVTPSA-N 1 1 313.383 -1.165 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1=NN(CCO)C(=O)CC1 ZINC001413417504 926050072 /nfs/dbraw/zinc/05/00/72/926050072.db2.gz CDRQLNDJPLNSHU-ZDUSSCGKSA-N 1 1 314.342 -2.576 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC001413410429 926050159 /nfs/dbraw/zinc/05/01/59/926050159.db2.gz WXFYMRUOKSEUCT-JTQLQIEISA-N 1 1 316.383 -1.344 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC001413410429 926050168 /nfs/dbraw/zinc/05/01/68/926050168.db2.gz WXFYMRUOKSEUCT-JTQLQIEISA-N 1 1 316.383 -1.344 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC001413423190 926051016 /nfs/dbraw/zinc/05/10/16/926051016.db2.gz QQMJADOINCVGHF-QMTHXVAHSA-N 1 1 309.370 -1.613 20 0 DAADMO C[C@]1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCCS1(=O)=O ZINC001413425515 926052120 /nfs/dbraw/zinc/05/21/20/926052120.db2.gz WZOTURANYDYOII-NEPJUHHUSA-N 1 1 306.384 -1.579 20 0 DAADMO COC(=O)c1cn(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nn1 ZINC001413495611 926058224 /nfs/dbraw/zinc/05/82/24/926058224.db2.gz XXTRIKIHUPJDAH-WDEREUQCSA-N 1 1 323.353 -1.268 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001413522284 926061143 /nfs/dbraw/zinc/06/11/43/926061143.db2.gz GSRJOFADXCSAJX-LOWVWBTDSA-N 1 1 319.427 -1.161 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001413543832 926062081 /nfs/dbraw/zinc/06/20/81/926062081.db2.gz AXXPZACBKLSEEV-UHFFFAOYSA-N 1 1 311.386 -2.303 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)C[C@H](O)CNC2=O)N1CC[NH+](C)CC1 ZINC001413556975 926062651 /nfs/dbraw/zinc/06/26/51/926062651.db2.gz GKPXSONTPMTVCB-NEPJUHHUSA-N 1 1 310.398 -1.668 20 0 DAADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC[N@@H+](C)CCO ZINC001413573782 926064707 /nfs/dbraw/zinc/06/47/07/926064707.db2.gz KGBDATZZSCLGAD-UHFFFAOYSA-N 1 1 307.354 -1.086 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001413631054 926066123 /nfs/dbraw/zinc/06/61/23/926066123.db2.gz CIJLMQDDJAXNFC-QMMMGPOBSA-N 1 1 311.346 -1.305 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001413631054 926066130 /nfs/dbraw/zinc/06/61/30/926066130.db2.gz CIJLMQDDJAXNFC-QMMMGPOBSA-N 1 1 311.346 -1.305 20 0 DAADMO C[N@@H+](CC(=O)NCc1nnc2c(=O)[nH]ccn12)[C@@H]1CCC[C@H]1O ZINC001413601796 926066503 /nfs/dbraw/zinc/06/65/03/926066503.db2.gz WVUNJXRNOBDJKM-NXEZZACHSA-N 1 1 320.353 -1.121 20 0 DAADMO C[C@@]1(CC(=O)N2CC([NH2+]C3COC3)C2)CCS(=O)(=O)N1 ZINC001413734050 926072701 /nfs/dbraw/zinc/07/27/01/926072701.db2.gz UCOQKTRAJFCCBE-LBPRGKRZSA-N 1 1 303.384 -1.343 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001413732984 926073452 /nfs/dbraw/zinc/07/34/52/926073452.db2.gz YIRZEFTVFCQPRB-LLVKDONJSA-N 1 1 305.400 -1.241 20 0 DAADMO C[C@]1(CC(=O)N2CC([NH2+]C3COC3)C2)CCS(=O)(=O)N1 ZINC001413734048 926073750 /nfs/dbraw/zinc/07/37/50/926073750.db2.gz UCOQKTRAJFCCBE-GFCCVEGCSA-N 1 1 303.384 -1.343 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H]1C(N)=O ZINC001413858275 926080656 /nfs/dbraw/zinc/08/06/56/926080656.db2.gz MXVNCQUNFYLSPC-OUAUKWLOSA-N 1 1 309.370 -2.579 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)S(N)(=O)=O ZINC001413955653 926087009 /nfs/dbraw/zinc/08/70/09/926087009.db2.gz LJECXQQZSUHSHB-DCAQKATOSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)S(N)(=O)=O ZINC001413955653 926087027 /nfs/dbraw/zinc/08/70/27/926087027.db2.gz LJECXQQZSUHSHB-DCAQKATOSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)S(N)(=O)=O ZINC001413955653 926087032 /nfs/dbraw/zinc/08/70/32/926087032.db2.gz LJECXQQZSUHSHB-DCAQKATOSA-N 1 1 321.447 -1.403 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@](C)(O)C(=O)OC ZINC001413997750 926093483 /nfs/dbraw/zinc/09/34/83/926093483.db2.gz FAHCGSCTVQFLIS-RNCFNFMXSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC001413997750 926093495 /nfs/dbraw/zinc/09/34/95/926093495.db2.gz FAHCGSCTVQFLIS-RNCFNFMXSA-N 1 1 302.327 -1.336 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001413988871 926094676 /nfs/dbraw/zinc/09/46/76/926094676.db2.gz YGWJSAKHNINSFM-RYUDHWBXSA-N 1 1 322.427 -1.111 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cn1 ZINC001414017982 926095457 /nfs/dbraw/zinc/09/54/57/926095457.db2.gz XFWWAFDNPVUJQM-ONGXEEELSA-N 1 1 314.367 -1.197 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cn1 ZINC001414017982 926095468 /nfs/dbraw/zinc/09/54/68/926095468.db2.gz XFWWAFDNPVUJQM-ONGXEEELSA-N 1 1 314.367 -1.197 20 0 DAADMO NC(=O)C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015571 926096339 /nfs/dbraw/zinc/09/63/39/926096339.db2.gz MRBBZJRYMGBNEY-RYUDHWBXSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015571 926096349 /nfs/dbraw/zinc/09/63/49/926096349.db2.gz MRBBZJRYMGBNEY-RYUDHWBXSA-N 1 1 302.371 -1.145 20 0 DAADMO C[C@H]1COCCN1CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032504 926097194 /nfs/dbraw/zinc/09/71/94/926097194.db2.gz FMOGJJBAXHPIPF-RYUDHWBXSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCCN1CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032504 926097198 /nfs/dbraw/zinc/09/71/98/926097198.db2.gz FMOGJJBAXHPIPF-RYUDHWBXSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCC[N@@H+]1CCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032504 926097209 /nfs/dbraw/zinc/09/72/09/926097209.db2.gz FMOGJJBAXHPIPF-RYUDHWBXSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@H]1COCC[N@H+]1CCN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001414032504 926097213 /nfs/dbraw/zinc/09/72/13/926097213.db2.gz FMOGJJBAXHPIPF-RYUDHWBXSA-N 1 1 304.416 -1.459 20 0 DAADMO O=S1(=O)C[C@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@H]2C1 ZINC001414032923 926098241 /nfs/dbraw/zinc/09/82/41/926098241.db2.gz FIDYMHJHZPKUEC-RNJOBUHISA-N 1 1 305.396 -1.135 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@H]2C1 ZINC001414032923 926098254 /nfs/dbraw/zinc/09/82/54/926098254.db2.gz FIDYMHJHZPKUEC-RNJOBUHISA-N 1 1 305.396 -1.135 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040693 926099188 /nfs/dbraw/zinc/09/91/88/926099188.db2.gz VPAGAZFPGRXQSI-QWHCGFSZSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040693 926099194 /nfs/dbraw/zinc/09/91/94/926099194.db2.gz VPAGAZFPGRXQSI-QWHCGFSZSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040693 926099203 /nfs/dbraw/zinc/09/92/03/926099203.db2.gz VPAGAZFPGRXQSI-QWHCGFSZSA-N 1 1 323.459 -1.203 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414037482 926099381 /nfs/dbraw/zinc/09/93/81/926099381.db2.gz QYDKTIWTISFFRA-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414037482 926099388 /nfs/dbraw/zinc/09/93/88/926099388.db2.gz QYDKTIWTISFFRA-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001414039892 926099530 /nfs/dbraw/zinc/09/95/30/926099530.db2.gz ZPRPMRSVBIBIQE-BBBLOLIVSA-N 1 1 321.399 -1.480 20 0 DAADMO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001414041101 926101040 /nfs/dbraw/zinc/10/10/40/926101040.db2.gz ZIKNAYJUPWDQAP-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001414041101 926101043 /nfs/dbraw/zinc/10/10/43/926101043.db2.gz ZIKNAYJUPWDQAP-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001414047146 926102980 /nfs/dbraw/zinc/10/29/80/926102980.db2.gz DHGOSOHROPAFIW-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001414054562 926103813 /nfs/dbraw/zinc/10/38/13/926103813.db2.gz NNWGFNXQPDEBFW-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001414058003 926104006 /nfs/dbraw/zinc/10/40/06/926104006.db2.gz CHBGHGQIKJCPGH-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCS(=O)(=O)CCO2)CC1 ZINC001414053164 926104433 /nfs/dbraw/zinc/10/44/33/926104433.db2.gz BNQWJVAZHOGJAT-UHFFFAOYSA-N 1 1 305.400 -1.188 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001414054928 926104589 /nfs/dbraw/zinc/10/45/89/926104589.db2.gz MGNDJLLKGPPJRJ-VXGBXAGGSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001414054928 926104593 /nfs/dbraw/zinc/10/45/93/926104593.db2.gz MGNDJLLKGPPJRJ-VXGBXAGGSA-N 1 1 315.414 -1.060 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001414095081 926105419 /nfs/dbraw/zinc/10/54/19/926105419.db2.gz BMHHBVQGTDEKCM-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001414354560 926121291 /nfs/dbraw/zinc/12/12/91/926121291.db2.gz ARHJDILKKJIVAM-JQWIXIFHSA-N 1 1 324.385 -1.164 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001414354566 926122739 /nfs/dbraw/zinc/12/27/39/926122739.db2.gz ARHJDILKKJIVAM-ZYHUDNBSSA-N 1 1 324.385 -1.164 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001414494589 926126861 /nfs/dbraw/zinc/12/68/61/926126861.db2.gz SOPYVQIKZSBNLK-LBPRGKRZSA-N 1 1 312.370 -1.876 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001414494589 926126863 /nfs/dbraw/zinc/12/68/63/926126863.db2.gz SOPYVQIKZSBNLK-LBPRGKRZSA-N 1 1 312.370 -1.876 20 0 DAADMO CC[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)NC ZINC001414525603 926128347 /nfs/dbraw/zinc/12/83/47/926128347.db2.gz LYUCLGWZVZSZJA-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001414508600 926128807 /nfs/dbraw/zinc/12/88/07/926128807.db2.gz RLHHPLFFLZVPGF-LLVKDONJSA-N 1 1 311.386 -1.462 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001414525961 926129626 /nfs/dbraw/zinc/12/96/26/926129626.db2.gz OFVZJWXLJXMNDP-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC001414531169 926130726 /nfs/dbraw/zinc/13/07/26/926130726.db2.gz BDLQDROIDKAQTB-PWSUYJOCSA-N 1 1 305.400 -1.213 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001414558560 926131358 /nfs/dbraw/zinc/13/13/58/926131358.db2.gz SYRGSOFJPULWRM-NWDGAFQWSA-N 1 1 322.417 -1.077 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001414567289 926134555 /nfs/dbraw/zinc/13/45/55/926134555.db2.gz CNIAHEMJQJRWIE-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001414647604 926138534 /nfs/dbraw/zinc/13/85/34/926138534.db2.gz VJXHCFTURWLSSP-JQWIXIFHSA-N 1 1 322.431 -1.320 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001414647609 926138832 /nfs/dbraw/zinc/13/88/32/926138832.db2.gz VJXHCFTURWLSSP-ZYHUDNBSSA-N 1 1 322.431 -1.320 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001414647590 926139123 /nfs/dbraw/zinc/13/91/23/926139123.db2.gz VJXHCFTURWLSSP-CMPLNLGQSA-N 1 1 322.431 -1.320 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001414879162 926150097 /nfs/dbraw/zinc/15/00/97/926150097.db2.gz GENAOLVUPBDMCP-WDEREUQCSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001414879159 926150389 /nfs/dbraw/zinc/15/03/89/926150389.db2.gz GENAOLVUPBDMCP-QWRGUYRKSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001414929955 926153769 /nfs/dbraw/zinc/15/37/69/926153769.db2.gz PGOFYZSGUMGGRR-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415056466 926157861 /nfs/dbraw/zinc/15/78/61/926157861.db2.gz FTZMJEKPVAPGEA-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415056466 926157865 /nfs/dbraw/zinc/15/78/65/926157865.db2.gz FTZMJEKPVAPGEA-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415132884 926163946 /nfs/dbraw/zinc/16/39/46/926163946.db2.gz KFWMCICYLZFMSA-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415132884 926163952 /nfs/dbraw/zinc/16/39/52/926163952.db2.gz KFWMCICYLZFMSA-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134787 926164339 /nfs/dbraw/zinc/16/43/39/926164339.db2.gz VPXIQGXTGWJLAT-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134787 926164344 /nfs/dbraw/zinc/16/43/44/926164344.db2.gz VPXIQGXTGWJLAT-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001415131282 926164374 /nfs/dbraw/zinc/16/43/74/926164374.db2.gz CRTXUHQAVQVCKO-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001415131282 926164382 /nfs/dbraw/zinc/16/43/82/926164382.db2.gz CRTXUHQAVQVCKO-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415132374 926164398 /nfs/dbraw/zinc/16/43/98/926164398.db2.gz HZHHPCPVMWSRMX-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415132374 926164405 /nfs/dbraw/zinc/16/44/05/926164405.db2.gz HZHHPCPVMWSRMX-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134790 926164615 /nfs/dbraw/zinc/16/46/15/926164615.db2.gz VPXIQGXTGWJLAT-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134790 926164621 /nfs/dbraw/zinc/16/46/21/926164621.db2.gz VPXIQGXTGWJLAT-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001415134343 926164711 /nfs/dbraw/zinc/16/47/11/926164711.db2.gz TZXWJSBXLBNFHJ-KOLCDFICSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001415134343 926164718 /nfs/dbraw/zinc/16/47/18/926164718.db2.gz TZXWJSBXLBNFHJ-KOLCDFICSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415147563 926165434 /nfs/dbraw/zinc/16/54/34/926165434.db2.gz INFAOSPYNXCBDK-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415147566 926165491 /nfs/dbraw/zinc/16/54/91/926165491.db2.gz INFAOSPYNXCBDK-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001415167676 926167502 /nfs/dbraw/zinc/16/75/02/926167502.db2.gz GFSFBWSUQAUFGW-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415165780 926167574 /nfs/dbraw/zinc/16/75/74/926167574.db2.gz HPJZIAGUZLEYDE-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)n1C ZINC001415167029 926167688 /nfs/dbraw/zinc/16/76/88/926167688.db2.gz YBIZMSVYIPRKEV-MNOVXSKESA-N 1 1 323.397 -1.090 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415165777 926167778 /nfs/dbraw/zinc/16/77/78/926167778.db2.gz HPJZIAGUZLEYDE-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001415188822 926168644 /nfs/dbraw/zinc/16/86/44/926168644.db2.gz XAPAODMNORQIJG-SNVBAGLBSA-N 1 1 301.391 -1.124 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001415247711 926173145 /nfs/dbraw/zinc/17/31/45/926173145.db2.gz UAUJVWSZQZVJEH-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001415463562 926183040 /nfs/dbraw/zinc/18/30/40/926183040.db2.gz ABQFFSJFYALDNC-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001415463562 926183050 /nfs/dbraw/zinc/18/30/50/926183050.db2.gz ABQFFSJFYALDNC-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415467658 926183092 /nfs/dbraw/zinc/18/30/92/926183092.db2.gz BATIKYAFAXRNDQ-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415467658 926183095 /nfs/dbraw/zinc/18/30/95/926183095.db2.gz BATIKYAFAXRNDQ-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415467659 926183135 /nfs/dbraw/zinc/18/31/35/926183135.db2.gz BATIKYAFAXRNDQ-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415467659 926183139 /nfs/dbraw/zinc/18/31/39/926183139.db2.gz BATIKYAFAXRNDQ-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001415463564 926183518 /nfs/dbraw/zinc/18/35/18/926183518.db2.gz ABQFFSJFYALDNC-NWDGAFQWSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001415463564 926183524 /nfs/dbraw/zinc/18/35/24/926183524.db2.gz ABQFFSJFYALDNC-NWDGAFQWSA-N 1 1 324.385 -1.256 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CN(C)CCO1 ZINC001415504254 926188414 /nfs/dbraw/zinc/18/84/14/926188414.db2.gz XSDXRCBJTFIMOX-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001415504253 926188993 /nfs/dbraw/zinc/18/89/93/926188993.db2.gz XSDXRCBJTFIMOX-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415573381 926193048 /nfs/dbraw/zinc/19/30/48/926193048.db2.gz MKMOMESAODPAFT-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)Cn2cncn2)C1 ZINC001415624544 926197577 /nfs/dbraw/zinc/19/75/77/926197577.db2.gz PQVOAFABGNBKFB-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)Cn2cncn2)C1 ZINC001415624544 926197584 /nfs/dbraw/zinc/19/75/84/926197584.db2.gz PQVOAFABGNBKFB-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CNC(C)=O ZINC001415654940 926200320 /nfs/dbraw/zinc/20/03/20/926200320.db2.gz JMKZCUCOKVFVBM-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CNC(C)=O ZINC001415654940 926200327 /nfs/dbraw/zinc/20/03/27/926200327.db2.gz JMKZCUCOKVFVBM-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415665006 926200665 /nfs/dbraw/zinc/20/06/65/926200665.db2.gz PXRUZFGTGCSWRF-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415665006 926200673 /nfs/dbraw/zinc/20/06/73/926200673.db2.gz PXRUZFGTGCSWRF-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)CC[N@@H+](C)CC ZINC001415714500 926201705 /nfs/dbraw/zinc/20/17/05/926201705.db2.gz FZPYGJPWOMRMPB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001415712681 926202184 /nfs/dbraw/zinc/20/21/84/926202184.db2.gz VORZYXNKILXQFV-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC(C)[C@@H](C(=O)N1CC(NC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001415976333 926212366 /nfs/dbraw/zinc/21/23/66/926212366.db2.gz SIAWSYUEJMLHNB-LBPRGKRZSA-N 1 1 319.427 -1.056 20 0 DAADMO C[C@@H](CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415977789 926212677 /nfs/dbraw/zinc/21/26/77/926212677.db2.gz KDMLHGQNOPUXJM-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001416024246 926219024 /nfs/dbraw/zinc/21/90/24/926219024.db2.gz WCOGFFLXQKRADA-SECBINFHSA-N 1 1 322.369 -1.035 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001416065266 926224284 /nfs/dbraw/zinc/22/42/84/926224284.db2.gz GESGOXXXEJWMKD-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001416067938 926224558 /nfs/dbraw/zinc/22/45/58/926224558.db2.gz LLOISJUAHNINOY-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416216377 926233501 /nfs/dbraw/zinc/23/35/01/926233501.db2.gz KLOYTNSNSRGFFF-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416216377 926233510 /nfs/dbraw/zinc/23/35/10/926233510.db2.gz KLOYTNSNSRGFFF-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001416226330 926234791 /nfs/dbraw/zinc/23/47/91/926234791.db2.gz VAKALJCVVIMCMU-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001416278342 926235853 /nfs/dbraw/zinc/23/58/53/926235853.db2.gz MBONQZOLCOQRES-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001416475372 926241105 /nfs/dbraw/zinc/24/11/05/926241105.db2.gz SVEHDTLFFQMCNI-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001416475369 926241741 /nfs/dbraw/zinc/24/17/41/926241741.db2.gz SVEHDTLFFQMCNI-NEPJUHHUSA-N 1 1 323.401 -1.117 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001416654477 926244716 /nfs/dbraw/zinc/24/47/16/926244716.db2.gz OIHHJCDBDQUOFQ-NSHDSACASA-N 1 1 310.358 -1.334 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001416654477 926244722 /nfs/dbraw/zinc/24/47/22/926244722.db2.gz OIHHJCDBDQUOFQ-NSHDSACASA-N 1 1 310.358 -1.334 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724006 926250234 /nfs/dbraw/zinc/25/02/34/926250234.db2.gz CXQXAHYMHLJGMU-CMPLNLGQSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724006 926250242 /nfs/dbraw/zinc/25/02/42/926250242.db2.gz CXQXAHYMHLJGMU-CMPLNLGQSA-N 1 1 310.354 -1.448 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001416734015 926256301 /nfs/dbraw/zinc/25/63/01/926256301.db2.gz SHMUSNXNHXSODO-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001416738587 926256890 /nfs/dbraw/zinc/25/68/90/926256890.db2.gz FMIHZFPSKWYSIB-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001416736942 926256973 /nfs/dbraw/zinc/25/69/73/926256973.db2.gz BUIAAEJUOGLRIN-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnco2)C1 ZINC001416738713 926257600 /nfs/dbraw/zinc/25/76/00/926257600.db2.gz NESQVFGQGSQRPF-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cnco2)C1 ZINC001416738713 926257611 /nfs/dbraw/zinc/25/76/11/926257611.db2.gz NESQVFGQGSQRPF-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnco2)C1 ZINC001416738711 926257709 /nfs/dbraw/zinc/25/77/09/926257709.db2.gz NESQVFGQGSQRPF-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnco2)C1 ZINC001416738711 926257721 /nfs/dbraw/zinc/25/77/21/926257721.db2.gz NESQVFGQGSQRPF-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001416740378 926259090 /nfs/dbraw/zinc/25/90/90/926259090.db2.gz JWBGIYHHBVWDRI-ONGXEEELSA-N 1 1 323.353 -1.517 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416743655 926260583 /nfs/dbraw/zinc/26/05/83/926260583.db2.gz PFJLZEXCCXYSMN-ZJUUUORDSA-N 1 1 310.358 -1.586 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001416755006 926265961 /nfs/dbraw/zinc/26/59/61/926265961.db2.gz PZVJHEFVMTUSBY-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001416761596 926267083 /nfs/dbraw/zinc/26/70/83/926267083.db2.gz OUWSANMZDCXZMG-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761596 926267092 /nfs/dbraw/zinc/26/70/92/926267092.db2.gz OUWSANMZDCXZMG-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761596 926267103 /nfs/dbraw/zinc/26/71/03/926267103.db2.gz OUWSANMZDCXZMG-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761596 926267111 /nfs/dbraw/zinc/26/71/11/926267111.db2.gz OUWSANMZDCXZMG-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761596 926267122 /nfs/dbraw/zinc/26/71/22/926267122.db2.gz OUWSANMZDCXZMG-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001416759244 926267329 /nfs/dbraw/zinc/26/73/29/926267329.db2.gz FBIOPDQFAILJQJ-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001416759571 926267902 /nfs/dbraw/zinc/26/79/02/926267902.db2.gz QVWUIIAQLHHGQT-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001416761594 926268058 /nfs/dbraw/zinc/26/80/58/926268058.db2.gz OUWSANMZDCXZMG-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761594 926268067 /nfs/dbraw/zinc/26/80/67/926268067.db2.gz OUWSANMZDCXZMG-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761594 926268076 /nfs/dbraw/zinc/26/80/76/926268076.db2.gz OUWSANMZDCXZMG-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761594 926268085 /nfs/dbraw/zinc/26/80/85/926268085.db2.gz OUWSANMZDCXZMG-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761594 926268092 /nfs/dbraw/zinc/26/80/92/926268092.db2.gz OUWSANMZDCXZMG-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001416759241 926268217 /nfs/dbraw/zinc/26/82/17/926268217.db2.gz FBIOPDQFAILJQJ-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001416766024 926269052 /nfs/dbraw/zinc/26/90/52/926269052.db2.gz YFOTWDRPIWXSEG-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001416766024 926269062 /nfs/dbraw/zinc/26/90/62/926269062.db2.gz YFOTWDRPIWXSEG-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001416766024 926269068 /nfs/dbraw/zinc/26/90/68/926269068.db2.gz YFOTWDRPIWXSEG-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001416763962 926269124 /nfs/dbraw/zinc/26/91/24/926269124.db2.gz VMKDXKKMOUQCLC-NSHDSACASA-N 1 1 311.386 -1.114 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001416763960 926269379 /nfs/dbraw/zinc/26/93/79/926269379.db2.gz VMKDXKKMOUQCLC-LLVKDONJSA-N 1 1 311.386 -1.114 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001416769713 926270312 /nfs/dbraw/zinc/27/03/12/926270312.db2.gz DDHFKMKWZVNWFA-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001416769717 926270480 /nfs/dbraw/zinc/27/04/80/926270480.db2.gz DDHFKMKWZVNWFA-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771947 926270528 /nfs/dbraw/zinc/27/05/28/926270528.db2.gz WOXRQVWTOBILHJ-KOLCDFICSA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CCC1 ZINC001416769821 926270649 /nfs/dbraw/zinc/27/06/49/926270649.db2.gz OJXIWSDHYUDPBB-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CCC1 ZINC001416769821 926270658 /nfs/dbraw/zinc/27/06/58/926270658.db2.gz OJXIWSDHYUDPBB-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001416775958 926273522 /nfs/dbraw/zinc/27/35/22/926273522.db2.gz UUOJVQBOCZAZNH-VHSXEESVSA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(=O)n(C)cn1 ZINC001416825151 926279925 /nfs/dbraw/zinc/27/99/25/926279925.db2.gz FCKWUYLNAYUXDP-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)c1nnn(C)n1 ZINC001416848549 926280657 /nfs/dbraw/zinc/28/06/57/926280657.db2.gz YSOMPLGWXHUFJD-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1cnnn1 ZINC001416871320 926284501 /nfs/dbraw/zinc/28/45/01/926284501.db2.gz XQZZHKIRTVYSMT-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001416891753 926285583 /nfs/dbraw/zinc/28/55/83/926285583.db2.gz OCQYKOMKWCNYPA-GXSJLCMTSA-N 1 1 324.385 -1.393 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001416891753 926285589 /nfs/dbraw/zinc/28/55/89/926285589.db2.gz OCQYKOMKWCNYPA-GXSJLCMTSA-N 1 1 324.385 -1.393 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001416920455 926287879 /nfs/dbraw/zinc/28/78/79/926287879.db2.gz AEQCBXRSIPENHY-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001417030108 926294841 /nfs/dbraw/zinc/29/48/41/926294841.db2.gz YXRYPXSIZIJIMZ-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001417098929 926300143 /nfs/dbraw/zinc/30/01/43/926300143.db2.gz AKEWLKIFIIEMSB-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001417143032 926302192 /nfs/dbraw/zinc/30/21/92/926302192.db2.gz SJSPIIWKEVZSIJ-JTQLQIEISA-N 1 1 320.353 -1.362 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001417181640 926306484 /nfs/dbraw/zinc/30/64/84/926306484.db2.gz KYTSPBCAWATVHU-QWRGUYRKSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001417636321 926322514 /nfs/dbraw/zinc/32/25/14/926322514.db2.gz VXCOVJOCYFVBDD-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001417636321 926322520 /nfs/dbraw/zinc/32/25/20/926322520.db2.gz VXCOVJOCYFVBDD-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC001417636321 926322529 /nfs/dbraw/zinc/32/25/29/926322529.db2.gz VXCOVJOCYFVBDD-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC001417636321 926322536 /nfs/dbraw/zinc/32/25/36/926322536.db2.gz VXCOVJOCYFVBDD-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001417648182 926324163 /nfs/dbraw/zinc/32/41/63/926324163.db2.gz CZNDLPJWWUEUMQ-JQWIXIFHSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001417648182 926324183 /nfs/dbraw/zinc/32/41/83/926324183.db2.gz CZNDLPJWWUEUMQ-JQWIXIFHSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001417648182 926324189 /nfs/dbraw/zinc/32/41/89/926324189.db2.gz CZNDLPJWWUEUMQ-JQWIXIFHSA-N 1 1 313.402 -2.011 20 0 DAADMO C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001417668484 926326489 /nfs/dbraw/zinc/32/64/89/926326489.db2.gz BGJDRWZZWKRKGL-JQWIXIFHSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001417668484 926326496 /nfs/dbraw/zinc/32/64/96/926326496.db2.gz BGJDRWZZWKRKGL-JQWIXIFHSA-N 1 1 312.370 -1.208 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001417705366 926330392 /nfs/dbraw/zinc/33/03/92/926330392.db2.gz CMUGLTLOBGPXKK-CYBMUJFWSA-N 1 1 306.326 -1.926 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001417705367 926330619 /nfs/dbraw/zinc/33/06/19/926330619.db2.gz CMUGLTLOBGPXKK-ZDUSSCGKSA-N 1 1 306.326 -1.926 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCCS(N)(=O)=O ZINC001417748357 926332890 /nfs/dbraw/zinc/33/28/90/926332890.db2.gz HFZSDOXMKTUFAW-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001417744833 926333022 /nfs/dbraw/zinc/33/30/22/926333022.db2.gz DXPRYNNWSWKTSZ-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001417744842 926333471 /nfs/dbraw/zinc/33/34/71/926333471.db2.gz DXPRYNNWSWKTSZ-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001417738108 926333645 /nfs/dbraw/zinc/33/36/45/926333645.db2.gz TXSCPWTYUDXWSP-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001417738112 926333998 /nfs/dbraw/zinc/33/39/98/926333998.db2.gz TXSCPWTYUDXWSP-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758125 926334870 /nfs/dbraw/zinc/33/48/70/926334870.db2.gz XKAXIUFNSVDQEV-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758125 926334876 /nfs/dbraw/zinc/33/48/76/926334876.db2.gz XKAXIUFNSVDQEV-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001417751675 926335170 /nfs/dbraw/zinc/33/51/70/926335170.db2.gz YBBVHLGTYLBOND-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001417775495 926336586 /nfs/dbraw/zinc/33/65/86/926336586.db2.gz ROGVAHODCBYZNO-RYUDHWBXSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001417775493 926336894 /nfs/dbraw/zinc/33/68/94/926336894.db2.gz ROGVAHODCBYZNO-NWDGAFQWSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1 ZINC001417818980 926338511 /nfs/dbraw/zinc/33/85/11/926338511.db2.gz MDZISJLTVGJHOR-JTQLQIEISA-N 1 1 323.353 -1.187 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001417828756 926340021 /nfs/dbraw/zinc/34/00/21/926340021.db2.gz DZFWOQIRUNHTSQ-NEPJUHHUSA-N 1 1 319.427 -1.302 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001417834236 926340406 /nfs/dbraw/zinc/34/04/06/926340406.db2.gz YUSBOZSMQMANKX-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001417843901 926340453 /nfs/dbraw/zinc/34/04/53/926340453.db2.gz SSQYWMVZXSHEMC-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001417843901 926340460 /nfs/dbraw/zinc/34/04/60/926340460.db2.gz SSQYWMVZXSHEMC-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417836440 926342185 /nfs/dbraw/zinc/34/21/85/926342185.db2.gz CGQLVHHOBWEWPZ-KOLCDFICSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CC[N@H+]1CC(=O)NC(N)=O ZINC001417836440 926342194 /nfs/dbraw/zinc/34/21/94/926342194.db2.gz CGQLVHHOBWEWPZ-KOLCDFICSA-N 1 1 322.369 -1.264 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001417859233 926342337 /nfs/dbraw/zinc/34/23/37/926342337.db2.gz VNXNDZPFYVVZAH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001417859233 926342344 /nfs/dbraw/zinc/34/23/44/926342344.db2.gz VNXNDZPFYVVZAH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001417885925 926344543 /nfs/dbraw/zinc/34/45/43/926344543.db2.gz HDXLWZDUFRARCS-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001417897506 926344803 /nfs/dbraw/zinc/34/48/03/926344803.db2.gz QALLZTKOMYXKQZ-PJXYFTJBSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001417889158 926345322 /nfs/dbraw/zinc/34/53/22/926345322.db2.gz NMDMEVPIWMUIHM-YNEHKIRRSA-N 1 1 310.398 -1.262 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001417910593 926347193 /nfs/dbraw/zinc/34/71/93/926347193.db2.gz PVGKXMYFJNORRD-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001417912266 926347504 /nfs/dbraw/zinc/34/75/04/926347504.db2.gz YQHZBIXLOBZWGM-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCCF)C1)C(N)=O ZINC001417943285 926352100 /nfs/dbraw/zinc/35/21/00/926352100.db2.gz IBXXCBBSPVQNRY-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001417939649 926352524 /nfs/dbraw/zinc/35/25/24/926352524.db2.gz KPYZGEYTPBZGPJ-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417942806 926353586 /nfs/dbraw/zinc/35/35/86/926353586.db2.gz DLQOXZRWDXBTNT-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417942806 926353592 /nfs/dbraw/zinc/35/35/92/926353592.db2.gz DLQOXZRWDXBTNT-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001417938566 926353863 /nfs/dbraw/zinc/35/38/63/926353863.db2.gz CHBWPFOWTYKNQJ-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001417938566 926353874 /nfs/dbraw/zinc/35/38/74/926353874.db2.gz CHBWPFOWTYKNQJ-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001417945147 926353941 /nfs/dbraw/zinc/35/39/41/926353941.db2.gz VCTFNCHPIOTOGS-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001417944683 926354064 /nfs/dbraw/zinc/35/40/64/926354064.db2.gz BWJLWGUACITBAO-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001417944683 926354069 /nfs/dbraw/zinc/35/40/69/926354069.db2.gz BWJLWGUACITBAO-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001417979043 926355201 /nfs/dbraw/zinc/35/52/01/926355201.db2.gz XOZHFVKRTGILJT-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001417953329 926355885 /nfs/dbraw/zinc/35/58/85/926355885.db2.gz WIGVORVMBBSVLP-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001417974567 926356084 /nfs/dbraw/zinc/35/60/84/926356084.db2.gz CIVLGMUZISZWKQ-WCBMZHEXSA-N 1 1 324.389 -1.359 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001417955722 926356139 /nfs/dbraw/zinc/35/61/39/926356139.db2.gz RPFYFIXSKOWRSJ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cnn(C)n1)C1CC1 ZINC001417989697 926358239 /nfs/dbraw/zinc/35/82/39/926358239.db2.gz KVJJRUHDQUFIJO-LLVKDONJSA-N 1 1 309.374 -1.272 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001418034195 926359588 /nfs/dbraw/zinc/35/95/88/926359588.db2.gz LMXMKPWCZQDLDA-WHOHXGKFSA-N 1 1 312.370 -1.650 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001418030900 926359880 /nfs/dbraw/zinc/35/98/80/926359880.db2.gz GJQOJSDMSZMCSP-ZDUSSCGKSA-N 1 1 312.414 -1.419 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001418074491 926362614 /nfs/dbraw/zinc/36/26/14/926362614.db2.gz CISPMMFKPHPAHN-KYZUINATSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418072137 926363498 /nfs/dbraw/zinc/36/34/98/926363498.db2.gz MFSHSELDJOLRLI-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418124188 926365405 /nfs/dbraw/zinc/36/54/05/926365405.db2.gz LLNLIHBNIMASFB-LLVKDONJSA-N 1 1 311.386 -2.268 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418124188 926365419 /nfs/dbraw/zinc/36/54/19/926365419.db2.gz LLNLIHBNIMASFB-LLVKDONJSA-N 1 1 311.386 -2.268 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418120079 926366298 /nfs/dbraw/zinc/36/62/98/926366298.db2.gz MKKJMOIBKFYVCJ-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001418123018 926366330 /nfs/dbraw/zinc/36/63/30/926366330.db2.gz DDCZVCIEQRLMOA-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC1CC([NH+]2CCOCC2)C1 ZINC001418164852 926368373 /nfs/dbraw/zinc/36/83/73/926368373.db2.gz XCWNGLWCPPYWDF-UHFFFAOYSA-N 1 1 310.354 -1.092 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CCCC[N@H+]2CCCO)n1 ZINC001418146115 926368729 /nfs/dbraw/zinc/36/87/29/926368729.db2.gz AFMGLBLQCYGPRF-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001418181531 926369959 /nfs/dbraw/zinc/36/99/59/926369959.db2.gz ZVHJTNKGHOOISL-DGTMBMJNSA-N 1 1 313.398 -1.045 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CO1 ZINC001418180546 926370258 /nfs/dbraw/zinc/37/02/58/926370258.db2.gz SDEMMBRDJPXDSF-HMUNZLOLSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CO1 ZINC001418180546 926370268 /nfs/dbraw/zinc/37/02/68/926370268.db2.gz SDEMMBRDJPXDSF-HMUNZLOLSA-N 1 1 324.381 -1.087 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001418180975 926370357 /nfs/dbraw/zinc/37/03/57/926370357.db2.gz IVNXOHIGDYVSST-MLGHIDQZSA-N 1 1 308.382 -1.164 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2nncn2C)nn1 ZINC001418223081 926371539 /nfs/dbraw/zinc/37/15/39/926371539.db2.gz SZAVBXIGRALIAP-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001418220792 926372728 /nfs/dbraw/zinc/37/27/28/926372728.db2.gz YHASRCGGZRNJCQ-RKDXNWHRSA-N 1 1 311.346 -1.214 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)CN2CCOCC2=O)n1 ZINC001418243293 926374965 /nfs/dbraw/zinc/37/49/65/926374965.db2.gz GOXCIEJLMDJGAL-LLVKDONJSA-N 1 1 324.385 -1.249 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001418255479 926376222 /nfs/dbraw/zinc/37/62/22/926376222.db2.gz WWHPMGVEPYINIA-QMMMGPOBSA-N 1 1 308.346 -1.697 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnns1 ZINC001418261902 926377014 /nfs/dbraw/zinc/37/70/14/926377014.db2.gz NBENQNGMHRIBIE-SECBINFHSA-N 1 1 312.399 -1.436 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccon1 ZINC001418254447 926377664 /nfs/dbraw/zinc/37/76/64/926377664.db2.gz GYPCXEBSDMFVNY-MRVPVSSYSA-N 1 1 305.360 -1.677 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NCc1nnnn1C ZINC001418288417 926378649 /nfs/dbraw/zinc/37/86/49/926378649.db2.gz ICYAHIAFKMITLX-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cnn(C)n1 ZINC001418306698 926379110 /nfs/dbraw/zinc/37/91/10/926379110.db2.gz FOFNTBBKMNUGLX-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001418283606 926379743 /nfs/dbraw/zinc/37/97/43/926379743.db2.gz RTYLBTWZXQQOFD-SECBINFHSA-N 1 1 307.362 -1.434 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001418317374 926380903 /nfs/dbraw/zinc/38/09/03/926380903.db2.gz VMQSTEWDDUUBDW-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1ncnn1C ZINC001418311353 926381992 /nfs/dbraw/zinc/38/19/92/926381992.db2.gz AMEITQHILALFLJ-VHSXEESVSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418360857 926385049 /nfs/dbraw/zinc/38/50/49/926385049.db2.gz WYLCQHZBCMYQRP-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418360850 926385146 /nfs/dbraw/zinc/38/51/46/926385146.db2.gz WYLCQHZBCMYQRP-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001418376370 926386192 /nfs/dbraw/zinc/38/61/92/926386192.db2.gz POUJTBRYSHINJZ-IUCAKERBSA-N 1 1 323.357 -1.076 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001418377870 926386274 /nfs/dbraw/zinc/38/62/74/926386274.db2.gz SCTCMZSCWHZFAP-QMMMGPOBSA-N 1 1 310.314 -1.199 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001418377870 926386279 /nfs/dbraw/zinc/38/62/79/926386279.db2.gz SCTCMZSCWHZFAP-QMMMGPOBSA-N 1 1 310.314 -1.199 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001418373229 926387447 /nfs/dbraw/zinc/38/74/47/926387447.db2.gz JXCNVYLNZGUBEM-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001418376248 926387550 /nfs/dbraw/zinc/38/75/50/926387550.db2.gz TUBWVIYGJMHLJI-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001418376248 926387559 /nfs/dbraw/zinc/38/75/59/926387559.db2.gz TUBWVIYGJMHLJI-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO Cn1c(C[N@H+](C)CCNC(=O)[C@H]2CCCO2)cc(=O)n(C)c1=O ZINC001418437491 926388108 /nfs/dbraw/zinc/38/81/08/926388108.db2.gz XGPLVUDMTRJJAD-GFCCVEGCSA-N 1 1 324.381 -1.189 20 0 DAADMO Cn1c(C[N@@H+](C)CCNC(=O)[C@H]2CCCO2)cc(=O)n(C)c1=O ZINC001418437491 926388112 /nfs/dbraw/zinc/38/81/12/926388112.db2.gz XGPLVUDMTRJJAD-GFCCVEGCSA-N 1 1 324.381 -1.189 20 0 DAADMO Cn1c(C[N@H+](C)CCNC(=O)[C@@H]2CCCO2)cc(=O)n(C)c1=O ZINC001418437494 926388735 /nfs/dbraw/zinc/38/87/35/926388735.db2.gz XGPLVUDMTRJJAD-LBPRGKRZSA-N 1 1 324.381 -1.189 20 0 DAADMO Cn1c(C[N@@H+](C)CCNC(=O)[C@@H]2CCCO2)cc(=O)n(C)c1=O ZINC001418437494 926388743 /nfs/dbraw/zinc/38/87/43/926388743.db2.gz XGPLVUDMTRJJAD-LBPRGKRZSA-N 1 1 324.381 -1.189 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001418441384 926389512 /nfs/dbraw/zinc/38/95/12/926389512.db2.gz LGDNTQYUJUSLGE-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC001418441384 926389521 /nfs/dbraw/zinc/38/95/21/926389521.db2.gz LGDNTQYUJUSLGE-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001418456397 926390040 /nfs/dbraw/zinc/39/00/40/926390040.db2.gz SFVFHRSADBYUKZ-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC001418456397 926390048 /nfs/dbraw/zinc/39/00/48/926390048.db2.gz SFVFHRSADBYUKZ-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001418448375 926390613 /nfs/dbraw/zinc/39/06/13/926390613.db2.gz MXLSASUDLOPATI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001418448375 926390623 /nfs/dbraw/zinc/39/06/23/926390623.db2.gz MXLSASUDLOPATI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001418461335 926390952 /nfs/dbraw/zinc/39/09/52/926390952.db2.gz JHPFDMJDMSIWAE-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001418461335 926390958 /nfs/dbraw/zinc/39/09/58/926390958.db2.gz JHPFDMJDMSIWAE-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001418464917 926391372 /nfs/dbraw/zinc/39/13/72/926391372.db2.gz ARRNOXJNLXBATN-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001418464917 926391383 /nfs/dbraw/zinc/39/13/83/926391383.db2.gz ARRNOXJNLXBATN-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO Cc1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)cnn1 ZINC001418458961 926391860 /nfs/dbraw/zinc/39/18/60/926391860.db2.gz WAZNQOYJJAOJKE-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO Cc1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)cnn1 ZINC001418458961 926391865 /nfs/dbraw/zinc/39/18/65/926391865.db2.gz WAZNQOYJJAOJKE-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)CCN1CCCC1=O ZINC001418454498 926392146 /nfs/dbraw/zinc/39/21/46/926392146.db2.gz NCGLUCKZHBAHQG-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[N@H+](CCNC(=O)c1cn2cccnc2n1)CC(=O)NC(N)=O ZINC001418475956 926393093 /nfs/dbraw/zinc/39/30/93/926393093.db2.gz CKHPWFBMNDZSGB-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn2cccnc2n1)CC(=O)NC(N)=O ZINC001418475956 926393100 /nfs/dbraw/zinc/39/31/00/926393100.db2.gz CKHPWFBMNDZSGB-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cncn1C ZINC001418475102 926393509 /nfs/dbraw/zinc/39/35/09/926393509.db2.gz HQPSBSLACKIHQT-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cncn1C ZINC001418475102 926393518 /nfs/dbraw/zinc/39/35/18/926393518.db2.gz HQPSBSLACKIHQT-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCNC1=O ZINC001418481764 926394076 /nfs/dbraw/zinc/39/40/76/926394076.db2.gz JQMMKLJMQJJENZ-WUHRBBMRSA-N 1 1 311.382 -1.026 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCNC1=O ZINC001418481764 926394086 /nfs/dbraw/zinc/39/40/86/926394086.db2.gz JQMMKLJMQJJENZ-WUHRBBMRSA-N 1 1 311.382 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)c1cc2n(n1)CCCO2)CC(=O)NC(N)=O ZINC001418479140 926394724 /nfs/dbraw/zinc/39/47/24/926394724.db2.gz BTEXPROQSZJLEG-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc2n(n1)CCCO2)CC(=O)NC(N)=O ZINC001418479140 926394729 /nfs/dbraw/zinc/39/47/29/926394729.db2.gz BTEXPROQSZJLEG-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO CCOc1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)on1 ZINC001418481695 926394856 /nfs/dbraw/zinc/39/48/56/926394856.db2.gz XCNTVPZKBBWKDW-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CCOc1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)on1 ZINC001418481695 926394864 /nfs/dbraw/zinc/39/48/64/926394864.db2.gz XCNTVPZKBBWKDW-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001418493861 926395119 /nfs/dbraw/zinc/39/51/19/926395119.db2.gz FGXJKBQRCYTSJC-WDEREUQCSA-N 1 1 322.369 -1.234 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001418493861 926395123 /nfs/dbraw/zinc/39/51/23/926395123.db2.gz FGXJKBQRCYTSJC-WDEREUQCSA-N 1 1 322.369 -1.234 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418495885 926395175 /nfs/dbraw/zinc/39/51/75/926395175.db2.gz KOXAMGSPRYMNSK-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418495885 926395181 /nfs/dbraw/zinc/39/51/81/926395181.db2.gz KOXAMGSPRYMNSK-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488522 926395728 /nfs/dbraw/zinc/39/57/28/926395728.db2.gz PZTAKLPNYNPLCK-ZJUUUORDSA-N 1 1 320.415 -1.905 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488522 926395739 /nfs/dbraw/zinc/39/57/39/926395739.db2.gz PZTAKLPNYNPLCK-ZJUUUORDSA-N 1 1 320.415 -1.905 20 0 DAADMO COc1cncc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001418503233 926395759 /nfs/dbraw/zinc/39/57/59/926395759.db2.gz QBRPVYCNXMQAPN-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO COc1cncc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001418503233 926395765 /nfs/dbraw/zinc/39/57/65/926395765.db2.gz QBRPVYCNXMQAPN-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001418498361 926395906 /nfs/dbraw/zinc/39/59/06/926395906.db2.gz MGJSRIRKMKDJQZ-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001418498361 926395909 /nfs/dbraw/zinc/39/59/09/926395909.db2.gz MGJSRIRKMKDJQZ-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001418502973 926396755 /nfs/dbraw/zinc/39/67/55/926396755.db2.gz UHUSDMJUUFMYIT-RYUDHWBXSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496315 926396813 /nfs/dbraw/zinc/39/68/13/926396813.db2.gz RDVWVVZDILZMNU-VHSXEESVSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496315 926396821 /nfs/dbraw/zinc/39/68/21/926396821.db2.gz RDVWVVZDILZMNU-VHSXEESVSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001418498365 926397009 /nfs/dbraw/zinc/39/70/09/926397009.db2.gz MGJSRIRKMKDJQZ-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001418498365 926397015 /nfs/dbraw/zinc/39/70/15/926397015.db2.gz MGJSRIRKMKDJQZ-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCC(=O)N1CCOCC1 ZINC001418519807 926398080 /nfs/dbraw/zinc/39/80/80/926398080.db2.gz DCAPQFUNJANWFQ-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCC(=O)N1CCOCC1 ZINC001418519807 926398086 /nfs/dbraw/zinc/39/80/86/926398086.db2.gz DCAPQFUNJANWFQ-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COc1c(C(=O)NCCN(C)Cc2nc(=O)n(C)[n-]2)cnn1C ZINC001418517514 926398129 /nfs/dbraw/zinc/39/81/29/926398129.db2.gz ORGQQZZSLWUNLE-UHFFFAOYSA-N 1 1 323.357 -1.288 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccncn1 ZINC001418505779 926398426 /nfs/dbraw/zinc/39/84/26/926398426.db2.gz IJGBKJCCRHHSFK-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001418505779 926398437 /nfs/dbraw/zinc/39/84/37/926398437.db2.gz IJGBKJCCRHHSFK-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001418524848 926399434 /nfs/dbraw/zinc/39/94/34/926399434.db2.gz MASYPKDHFVLCLT-UHFFFAOYSA-N 1 1 303.388 -1.520 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)S(C)(=O)=O ZINC001418513455 926399598 /nfs/dbraw/zinc/39/95/98/926399598.db2.gz JGOLRDGHQVHNRT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)S(C)(=O)=O ZINC001418513455 926399606 /nfs/dbraw/zinc/39/96/06/926399606.db2.gz JGOLRDGHQVHNRT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1)[C@@H](C)C(=O)NC ZINC001418542754 926400757 /nfs/dbraw/zinc/40/07/57/926400757.db2.gz NEACDLDZHXJVSZ-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)[C@@H](C)C(=O)NC ZINC001418542754 926400769 /nfs/dbraw/zinc/40/07/69/926400769.db2.gz NEACDLDZHXJVSZ-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)[C@H]1COC(=O)N1 ZINC001418541395 926401067 /nfs/dbraw/zinc/40/10/67/926401067.db2.gz VFLBEVBOMIWOFH-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)[C@H]1COC(=O)N1 ZINC001418541395 926401074 /nfs/dbraw/zinc/40/10/74/926401074.db2.gz VFLBEVBOMIWOFH-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)C(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001418536497 926401308 /nfs/dbraw/zinc/40/13/08/926401308.db2.gz MBNZHJUMKBQITI-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)C(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001418536497 926401314 /nfs/dbraw/zinc/40/13/14/926401314.db2.gz MBNZHJUMKBQITI-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)C(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001418536496 926401382 /nfs/dbraw/zinc/40/13/82/926401382.db2.gz MBNZHJUMKBQITI-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)C(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001418536496 926401394 /nfs/dbraw/zinc/40/13/94/926401394.db2.gz MBNZHJUMKBQITI-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn(C)n1)CCNS(C)(=O)=O ZINC001418541883 926401441 /nfs/dbraw/zinc/40/14/41/926401441.db2.gz ZXYCHCUQQATFQM-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)CCNS(C)(=O)=O ZINC001418541883 926401450 /nfs/dbraw/zinc/40/14/50/926401450.db2.gz ZXYCHCUQQATFQM-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001418525519 926402421 /nfs/dbraw/zinc/40/24/21/926402421.db2.gz GQXKIWSFHOHDNS-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001418525519 926402428 /nfs/dbraw/zinc/40/24/28/926402428.db2.gz GQXKIWSFHOHDNS-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N1CCCC1 ZINC001418557943 926403526 /nfs/dbraw/zinc/40/35/26/926403526.db2.gz KIBDTMAODPIYMR-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N1CCCC1 ZINC001418557943 926403538 /nfs/dbraw/zinc/40/35/38/926403538.db2.gz KIBDTMAODPIYMR-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](C)OC ZINC001418580816 926403738 /nfs/dbraw/zinc/40/37/38/926403738.db2.gz DXDJFAPIHKHPQC-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001418576411 926404454 /nfs/dbraw/zinc/40/44/54/926404454.db2.gz CGTQAOSAIRPCQE-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC(C)C ZINC001418568893 926404621 /nfs/dbraw/zinc/40/46/21/926404621.db2.gz XBRZZCOTHFSPFG-LLVKDONJSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NCC(C)C ZINC001418568893 926404625 /nfs/dbraw/zinc/40/46/25/926404625.db2.gz XBRZZCOTHFSPFG-LLVKDONJSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccn(C)n1)CC(=O)NC(=O)NC ZINC001418577262 926405257 /nfs/dbraw/zinc/40/52/57/926405257.db2.gz YYUXJTXIVPIQFO-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccn(C)n1)CC(=O)NC(=O)NC ZINC001418577262 926405268 /nfs/dbraw/zinc/40/52/68/926405268.db2.gz YYUXJTXIVPIQFO-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001418587593 926406485 /nfs/dbraw/zinc/40/64/85/926406485.db2.gz LMOLWIMPYOWGKX-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418583709 926406967 /nfs/dbraw/zinc/40/69/67/926406967.db2.gz ZCKOASLJKKRUHI-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccon1 ZINC001418613573 926407812 /nfs/dbraw/zinc/40/78/12/926407812.db2.gz MCMKCKCIMSWMRG-JTQLQIEISA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccon1 ZINC001418613573 926407818 /nfs/dbraw/zinc/40/78/18/926407818.db2.gz MCMKCKCIMSWMRG-JTQLQIEISA-N 1 1 309.326 -1.007 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001418595682 926408486 /nfs/dbraw/zinc/40/84/86/926408486.db2.gz ILBRLRDZAWLBMM-ZIAGYGMSSA-N 1 1 323.397 -1.039 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001418607107 926408611 /nfs/dbraw/zinc/40/86/11/926408611.db2.gz GJZJEEAPLODBKM-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001418607107 926408616 /nfs/dbraw/zinc/40/86/16/926408616.db2.gz GJZJEEAPLODBKM-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001418597500 926409079 /nfs/dbraw/zinc/40/90/79/926409079.db2.gz XRLOHTBAIQTZDW-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604402 926409154 /nfs/dbraw/zinc/40/91/54/926409154.db2.gz DRUQOYJFSKEELA-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604402 926409160 /nfs/dbraw/zinc/40/91/60/926409160.db2.gz DRUQOYJFSKEELA-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001418629662 926411209 /nfs/dbraw/zinc/41/12/09/926411209.db2.gz JOHNWFQTBKAYIK-PHIMTYICSA-N 1 1 319.373 -1.124 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001418633041 926411336 /nfs/dbraw/zinc/41/13/36/926411336.db2.gz GXSVPYPMMIKMRK-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001418615569 926411356 /nfs/dbraw/zinc/41/13/56/926411356.db2.gz CSUXYYDUCKGJAL-VIFPVBQESA-N 1 1 321.403 -2.552 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001418615569 926411360 /nfs/dbraw/zinc/41/13/60/926411360.db2.gz CSUXYYDUCKGJAL-VIFPVBQESA-N 1 1 321.403 -2.552 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001418653640 926412239 /nfs/dbraw/zinc/41/22/39/926412239.db2.gz HGSUQILFLGIKHA-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001418653638 926412357 /nfs/dbraw/zinc/41/23/57/926412357.db2.gz HGSUQILFLGIKHA-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCS(=O)(=O)NC)C1 ZINC001418666562 926414485 /nfs/dbraw/zinc/41/44/85/926414485.db2.gz NMSHJEAQYQVQMW-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001418675226 926414938 /nfs/dbraw/zinc/41/49/38/926414938.db2.gz XUZULCOZOCYUNV-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001418666271 926414948 /nfs/dbraw/zinc/41/49/48/926414948.db2.gz RRIBAZKLUYXLHP-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001418666271 926414951 /nfs/dbraw/zinc/41/49/51/926414951.db2.gz RRIBAZKLUYXLHP-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)CC1=O ZINC001418670486 926414973 /nfs/dbraw/zinc/41/49/73/926414973.db2.gz JVTQUQCVALXQRI-ZDUSSCGKSA-N 1 1 312.414 -1.419 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001418674035 926415045 /nfs/dbraw/zinc/41/50/45/926415045.db2.gz WOHLMOOWNRHVKI-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(N)=O ZINC001418709802 926415764 /nfs/dbraw/zinc/41/57/64/926415764.db2.gz LBOHZVNBPANFIR-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(N)=O ZINC001418709802 926415773 /nfs/dbraw/zinc/41/57/73/926415773.db2.gz LBOHZVNBPANFIR-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO CCC[N@H+](CCNC(=O)CN(C)C(C)=O)CC(=O)NC(N)=O ZINC001418709860 926416310 /nfs/dbraw/zinc/41/63/10/926416310.db2.gz LRQZICLVIQOFSN-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN(C)C(C)=O)CC(=O)NC(N)=O ZINC001418709860 926416315 /nfs/dbraw/zinc/41/63/15/926416315.db2.gz LRQZICLVIQOFSN-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418688088 926416336 /nfs/dbraw/zinc/41/63/36/926416336.db2.gz RZYLASYIISYTDU-SECBINFHSA-N 1 1 320.415 -1.762 20 0 DAADMO CO[C@H](C)C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001418739164 926417754 /nfs/dbraw/zinc/41/77/54/926417754.db2.gz NXIFNQRMMDTSQB-PSASIEDQSA-N 1 1 323.353 -1.189 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001418743716 926418573 /nfs/dbraw/zinc/41/85/73/926418573.db2.gz DNSGYUMLCSGDRQ-NQBHXWOUSA-N 1 1 313.354 -2.535 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(N)=O)C1 ZINC001418739307 926418661 /nfs/dbraw/zinc/41/86/61/926418661.db2.gz ANGOKPZNJYZNEJ-CYDGBPFRSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001418734051 926418882 /nfs/dbraw/zinc/41/88/82/926418882.db2.gz QHYVRBBNDKIMHV-RYUDHWBXSA-N 1 1 308.338 -1.106 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001418739315 926419260 /nfs/dbraw/zinc/41/92/60/926419260.db2.gz ANGOKPZNJYZNEJ-RNJOBUHISA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@@H]([N@H+](CCO)CCF)C1 ZINC001418763032 926419976 /nfs/dbraw/zinc/41/99/76/926419976.db2.gz CHLIRJKFZKUZRH-LLVKDONJSA-N 1 1 300.338 -1.072 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@@H]([N@@H+](CCO)CCF)C1 ZINC001418763032 926419981 /nfs/dbraw/zinc/41/99/81/926419981.db2.gz CHLIRJKFZKUZRH-LLVKDONJSA-N 1 1 300.338 -1.072 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](CC(=O)N2CCC2)C2CC2)NC1=O ZINC001418766890 926420293 /nfs/dbraw/zinc/42/02/93/926420293.db2.gz NBZCYZVGDGAZGC-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](CC(=O)N2CCC2)C2CC2)NC1=O ZINC001418766890 926420297 /nfs/dbraw/zinc/42/02/97/926420297.db2.gz NBZCYZVGDGAZGC-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)CC[N@H+]1CCO ZINC001418755348 926420458 /nfs/dbraw/zinc/42/04/58/926420458.db2.gz OKJYQONLDGYYKZ-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001418769068 926420596 /nfs/dbraw/zinc/42/05/96/926420596.db2.gz UVFJMZPLMSYKMC-SNVBAGLBSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001418769068 926420602 /nfs/dbraw/zinc/42/06/02/926420602.db2.gz UVFJMZPLMSYKMC-SNVBAGLBSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001418778274 926421522 /nfs/dbraw/zinc/42/15/22/926421522.db2.gz NTFDZFBRCVZAJK-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001418778274 926421530 /nfs/dbraw/zinc/42/15/30/926421530.db2.gz NTFDZFBRCVZAJK-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799394 926422522 /nfs/dbraw/zinc/42/25/22/926422522.db2.gz WZYXKLGXDXWXKU-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(NCC[N@@H+](CCN1CCNC1=O)C1CC1)[C@H]1CNC(=O)N1 ZINC001418780921 926423080 /nfs/dbraw/zinc/42/30/80/926423080.db2.gz WYHBEEXHWMYLHK-LLVKDONJSA-N 1 1 324.385 -1.726 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001418813770 926423582 /nfs/dbraw/zinc/42/35/82/926423582.db2.gz OTKCLDHCBVRANB-VIFPVBQESA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001418813770 926423590 /nfs/dbraw/zinc/42/35/90/926423590.db2.gz OTKCLDHCBVRANB-VIFPVBQESA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1=O)c1nnnn1C ZINC001418804980 926425064 /nfs/dbraw/zinc/42/50/64/926425064.db2.gz CZLGSOUAGZMCKY-SNVBAGLBSA-N 1 1 309.374 -1.059 20 0 DAADMO CC(=O)N1CCC([N@@H+](CCO)CCNS(C)(=O)=O)CC1 ZINC001418838460 926426585 /nfs/dbraw/zinc/42/65/85/926426585.db2.gz UJIXGSVVMOYDCQ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001418839900 926426724 /nfs/dbraw/zinc/42/67/24/926426724.db2.gz YTNBUQQLYKCXSX-CYBMUJFWSA-N 1 1 313.398 -1.067 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001418890908 926428652 /nfs/dbraw/zinc/42/86/52/926428652.db2.gz WDXFSZMOUYHCCE-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418890908 926428660 /nfs/dbraw/zinc/42/86/60/926428660.db2.gz WDXFSZMOUYHCCE-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001418914991 926430307 /nfs/dbraw/zinc/43/03/07/926430307.db2.gz SMEFDIGRJMUHJD-LLVKDONJSA-N 1 1 312.370 -1.251 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001418926049 926432605 /nfs/dbraw/zinc/43/26/05/926432605.db2.gz MXHUSATUJYHDKI-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001418936949 926432926 /nfs/dbraw/zinc/43/29/26/926432926.db2.gz KRWNWBFGKBYBTD-ZDUSSCGKSA-N 1 1 312.414 -1.419 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001418926048 926433234 /nfs/dbraw/zinc/43/32/34/926433234.db2.gz MXHUSATUJYHDKI-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(CCn2cncn2)C1 ZINC001418995841 926440280 /nfs/dbraw/zinc/44/02/80/926440280.db2.gz XFOZYJRWHMGRLB-UHFFFAOYSA-N 1 1 308.386 -1.199 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001418999491 926442683 /nfs/dbraw/zinc/44/26/83/926442683.db2.gz NZSGTTFDYDTDBG-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001419025714 926445708 /nfs/dbraw/zinc/44/57/08/926445708.db2.gz KHWJGXUGYDSXPE-NSHDSACASA-N 1 1 324.385 -1.716 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001419022230 926445947 /nfs/dbraw/zinc/44/59/47/926445947.db2.gz YPUMQELPLXNCSR-GFCCVEGCSA-N 1 1 310.398 -1.009 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001419042076 926446823 /nfs/dbraw/zinc/44/68/23/926446823.db2.gz NFMORDNOOLBJER-UHFFFAOYSA-N 1 1 310.402 -1.002 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419029908 926446936 /nfs/dbraw/zinc/44/69/36/926446936.db2.gz PMNUJMCJFNVASY-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419039453 926447428 /nfs/dbraw/zinc/44/74/28/926447428.db2.gz YTYBQFUGSNHJNF-KOLCDFICSA-N 1 1 311.386 -1.431 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)CCn3cnnn3)C2)C1=O ZINC001419040483 926448225 /nfs/dbraw/zinc/44/82/25/926448225.db2.gz WGCDBCLVHNYUNK-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001419048043 926449297 /nfs/dbraw/zinc/44/92/97/926449297.db2.gz YWGAFNBVSQPBLT-WXHSDQCUSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001419048043 926449306 /nfs/dbraw/zinc/44/93/06/926449306.db2.gz YWGAFNBVSQPBLT-WXHSDQCUSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001419048038 926449367 /nfs/dbraw/zinc/44/93/67/926449367.db2.gz YWGAFNBVSQPBLT-DRZSPHRISA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001419048038 926449380 /nfs/dbraw/zinc/44/93/80/926449380.db2.gz YWGAFNBVSQPBLT-DRZSPHRISA-N 1 1 323.397 -1.179 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001419049806 926449940 /nfs/dbraw/zinc/44/99/40/926449940.db2.gz BUQGZXLTARSUTE-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419067482 926452203 /nfs/dbraw/zinc/45/22/03/926452203.db2.gz YEPILTFWSIQBBY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419067482 926452208 /nfs/dbraw/zinc/45/22/08/926452208.db2.gz YEPILTFWSIQBBY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001419084558 926452781 /nfs/dbraw/zinc/45/27/81/926452781.db2.gz RIWQUVCHPRJCJV-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001419084558 926452785 /nfs/dbraw/zinc/45/27/85/926452785.db2.gz RIWQUVCHPRJCJV-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001419091725 926453822 /nfs/dbraw/zinc/45/38/22/926453822.db2.gz JDLFLDWVOWNOCK-GXSJLCMTSA-N 1 1 306.388 -2.211 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001419084487 926453894 /nfs/dbraw/zinc/45/38/94/926453894.db2.gz JWNJFQPFJNSMSD-JLLWLGSASA-N 1 1 314.386 -1.408 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001419084374 926454239 /nfs/dbraw/zinc/45/42/39/926454239.db2.gz BXBKDJBIAWSQBS-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CC(=O)NCC[NH+]1CCN(CCN(C)S(C)(=O)=O)CC1 ZINC001419105894 926456727 /nfs/dbraw/zinc/45/67/27/926456727.db2.gz SNFFZJBDHKBBNU-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419117151 926457995 /nfs/dbraw/zinc/45/79/95/926457995.db2.gz UAPLTQZGBHXQGJ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419117151 926457999 /nfs/dbraw/zinc/45/79/99/926457999.db2.gz UAPLTQZGBHXQGJ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419116737 926458094 /nfs/dbraw/zinc/45/80/94/926458094.db2.gz ZNBPNVLEJFELAU-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419116737 926458098 /nfs/dbraw/zinc/45/80/98/926458098.db2.gz ZNBPNVLEJFELAU-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001419116847 926458183 /nfs/dbraw/zinc/45/81/83/926458183.db2.gz BYQUHYCSVDYBHS-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001419120658 926458928 /nfs/dbraw/zinc/45/89/28/926458928.db2.gz UFEVZFSJMGNJGI-TUAOUCFPSA-N 1 1 300.355 -1.032 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001419131760 926459626 /nfs/dbraw/zinc/45/96/26/926459626.db2.gz XCLWWCDCHCJJPY-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001419131760 926459633 /nfs/dbraw/zinc/45/96/33/926459633.db2.gz XCLWWCDCHCJJPY-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001419133722 926459802 /nfs/dbraw/zinc/45/98/02/926459802.db2.gz WCDUXTFPXLEYLW-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001419134390 926460223 /nfs/dbraw/zinc/46/02/23/926460223.db2.gz ZNLKJOGXVMGGTC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001419134390 926460228 /nfs/dbraw/zinc/46/02/28/926460228.db2.gz ZNLKJOGXVMGGTC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419138933 926460805 /nfs/dbraw/zinc/46/08/05/926460805.db2.gz ULXRWTAFQLNNFU-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419138933 926460809 /nfs/dbraw/zinc/46/08/09/926460809.db2.gz ULXRWTAFQLNNFU-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001419150360 926461884 /nfs/dbraw/zinc/46/18/84/926461884.db2.gz OZDQDDUEVHJZOT-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419149503 926462362 /nfs/dbraw/zinc/46/23/62/926462362.db2.gz SNRVLMBFGQPEBP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419149503 926462377 /nfs/dbraw/zinc/46/23/77/926462377.db2.gz SNRVLMBFGQPEBP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001419157098 926463014 /nfs/dbraw/zinc/46/30/14/926463014.db2.gz MIOYNAPJYQZIPG-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419159685 926463067 /nfs/dbraw/zinc/46/30/67/926463067.db2.gz KIAWWBARFZGXMD-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419159685 926463069 /nfs/dbraw/zinc/46/30/69/926463069.db2.gz KIAWWBARFZGXMD-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001419171335 926463939 /nfs/dbraw/zinc/46/39/39/926463939.db2.gz JRLVHKKRDDUYHD-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001419176666 926464496 /nfs/dbraw/zinc/46/44/96/926464496.db2.gz LJZMLVCYCSQZHJ-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419178376 926464786 /nfs/dbraw/zinc/46/47/86/926464786.db2.gz RECCELWVDKJDRS-YUMQZZPRSA-N 1 1 307.376 -2.896 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419178376 926464791 /nfs/dbraw/zinc/46/47/91/926464791.db2.gz RECCELWVDKJDRS-YUMQZZPRSA-N 1 1 307.376 -2.896 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nncn1C ZINC001419193747 926466325 /nfs/dbraw/zinc/46/63/25/926466325.db2.gz KPUDEHQPMCSKGC-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](CNC(=O)Cn2cnnn2)C2CC2)[nH]1 ZINC001419205265 926466901 /nfs/dbraw/zinc/46/69/01/926466901.db2.gz FZKPYZGWZQBBKZ-JTQLQIEISA-N 1 1 305.346 -1.216 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419218090 926468459 /nfs/dbraw/zinc/46/84/59/926468459.db2.gz OATHIUJFMSJJPN-BDAKNGLRSA-N 1 1 318.403 -1.372 20 0 DAADMO CC[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419249724 926470331 /nfs/dbraw/zinc/47/03/31/926470331.db2.gz RHWQDKALHQZLKR-VHSXEESVSA-N 1 1 309.374 -1.137 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001419296493 926471616 /nfs/dbraw/zinc/47/16/16/926471616.db2.gz YZPILJOFFHVWOM-NXEZZACHSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)CCn2cnnn2)C2CC2)nn1 ZINC001419296558 926471822 /nfs/dbraw/zinc/47/18/22/926471822.db2.gz CCHAWXWXGGVQEI-LBPRGKRZSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001419296500 926472004 /nfs/dbraw/zinc/47/20/04/926472004.db2.gz YZPILJOFFHVWOM-UWVGGRQHSA-N 1 1 307.358 -1.519 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001419367324 926473145 /nfs/dbraw/zinc/47/31/45/926473145.db2.gz QTAXJSPKSGDUME-IUCAKERBSA-N 1 1 323.357 -1.239 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001419406638 926475507 /nfs/dbraw/zinc/47/55/07/926475507.db2.gz ATLHQLIBTMNGGA-ZKCHVHJHSA-N 1 1 318.359 -2.140 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)NC1CCOCC1 ZINC001419427060 926477276 /nfs/dbraw/zinc/47/72/76/926477276.db2.gz BZWPXWJOXHCXKW-XYPYZODXSA-N 1 1 322.369 -1.050 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)NC1CCOCC1 ZINC001419427060 926477283 /nfs/dbraw/zinc/47/72/83/926477283.db2.gz BZWPXWJOXHCXKW-XYPYZODXSA-N 1 1 322.369 -1.050 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1nnn(C)n1 ZINC001419444892 926478398 /nfs/dbraw/zinc/47/83/98/926478398.db2.gz HKJRHGLHOBCRHP-NSHDSACASA-N 1 1 311.390 -1.616 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1nnn(C)n1 ZINC001419444887 926478804 /nfs/dbraw/zinc/47/88/04/926478804.db2.gz HKJRHGLHOBCRHP-LLVKDONJSA-N 1 1 311.390 -1.616 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCO1 ZINC001419576310 926488659 /nfs/dbraw/zinc/48/86/59/926488659.db2.gz STXKAYKJVDJSLL-OLZOCXBDSA-N 1 1 321.381 -1.103 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001419588119 926488717 /nfs/dbraw/zinc/48/87/17/926488717.db2.gz FPLPKALIZFSLKZ-SNVBAGLBSA-N 1 1 313.358 -1.712 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001419588119 926488722 /nfs/dbraw/zinc/48/87/22/926488722.db2.gz FPLPKALIZFSLKZ-SNVBAGLBSA-N 1 1 313.358 -1.712 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)NC(N)=O ZINC001419636534 926492436 /nfs/dbraw/zinc/49/24/36/926492436.db2.gz CSNIQNAKLPDJEY-HMUNZLOLSA-N 1 1 323.397 -1.290 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654567 926492528 /nfs/dbraw/zinc/49/25/28/926492528.db2.gz HQICLHQNQQJTSV-LVEVGFFFSA-N 1 1 323.397 -1.242 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654575 926492950 /nfs/dbraw/zinc/49/29/50/926492950.db2.gz HQICLHQNQQJTSV-ROHXPCBUSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cnc[nH]c1=O ZINC001419687280 926494092 /nfs/dbraw/zinc/49/40/92/926494092.db2.gz UHULZNYBZXEZLT-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCS(C)(=O)=O ZINC001419695646 926494458 /nfs/dbraw/zinc/49/44/58/926494458.db2.gz VPKRUQNMEFUNBE-VIFPVBQESA-N 1 1 318.403 -1.419 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001419677405 926495036 /nfs/dbraw/zinc/49/50/36/926495036.db2.gz JJYPPTBXFRQWGE-ZJUUUORDSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001419705713 926496434 /nfs/dbraw/zinc/49/64/34/926496434.db2.gz LUNNISPZGQKCQM-SNVBAGLBSA-N 1 1 324.389 -2.422 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001419766505 926498529 /nfs/dbraw/zinc/49/85/29/926498529.db2.gz CJKDMSKQPZDBRM-SECBINFHSA-N 1 1 306.326 -1.246 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001419766505 926498534 /nfs/dbraw/zinc/49/85/34/926498534.db2.gz CJKDMSKQPZDBRM-SECBINFHSA-N 1 1 306.326 -1.246 20 0 DAADMO C[C@@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419776140 926500419 /nfs/dbraw/zinc/50/04/19/926500419.db2.gz ODMJVCQSIOSSAJ-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nncn1C ZINC001419781366 926500631 /nfs/dbraw/zinc/50/06/31/926500631.db2.gz BMWPUSCHHCKQRJ-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001419793189 926503249 /nfs/dbraw/zinc/50/32/49/926503249.db2.gz MLSNJTWKEFBJIQ-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419828597 926504587 /nfs/dbraw/zinc/50/45/87/926504587.db2.gz ZCGAESUWOWSBBF-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnns1 ZINC001419866735 926505606 /nfs/dbraw/zinc/50/56/06/926505606.db2.gz XOUQQEIPZPPVEB-SVRRBLITSA-N 1 1 312.355 -1.270 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419876909 926506693 /nfs/dbraw/zinc/50/66/93/926506693.db2.gz XVSPGFFYSOVJAQ-BDAKNGLRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419876909 926506702 /nfs/dbraw/zinc/50/67/02/926506702.db2.gz XVSPGFFYSOVJAQ-BDAKNGLRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419895731 926507246 /nfs/dbraw/zinc/50/72/46/926507246.db2.gz NCUVIMVTFSAVNI-UWVGGRQHSA-N 1 1 315.399 -1.124 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001419911315 926507729 /nfs/dbraw/zinc/50/77/29/926507729.db2.gz YLXXAJCWDNEBDP-QMMMGPOBSA-N 1 1 323.357 -1.124 20 0 DAADMO CC(C)[C@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnnn1C ZINC001419902798 926508482 /nfs/dbraw/zinc/50/84/82/926508482.db2.gz XZHZGUWBLKFVDS-VIFPVBQESA-N 1 1 307.362 -1.117 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001419910243 926509085 /nfs/dbraw/zinc/50/90/85/926509085.db2.gz NYWAHYLJSZDKNI-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cnn(C)n1 ZINC001419918898 926509722 /nfs/dbraw/zinc/50/97/22/926509722.db2.gz BEJNGKIPTNAAMT-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001419939019 926510768 /nfs/dbraw/zinc/51/07/68/926510768.db2.gz IKRBNLAKEUKAKF-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001419939019 926510775 /nfs/dbraw/zinc/51/07/75/926510775.db2.gz IKRBNLAKEUKAKF-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1cncn1)[NH2+]Cc1nnnn1C ZINC001419936941 926511312 /nfs/dbraw/zinc/51/13/12/926511312.db2.gz IJEFRMOYKSHMDY-SNVBAGLBSA-N 1 1 307.362 -1.268 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001419944978 926511430 /nfs/dbraw/zinc/51/14/30/926511430.db2.gz COACPIGGUGKGSP-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001419944978 926511440 /nfs/dbraw/zinc/51/14/40/926511440.db2.gz COACPIGGUGKGSP-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419937173 926511663 /nfs/dbraw/zinc/51/16/63/926511663.db2.gz QUBOWURHAFVCRX-ONGXEEELSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001419958130 926511722 /nfs/dbraw/zinc/51/17/22/926511722.db2.gz SLCQVHJLGXJFLE-BDAKNGLRSA-N 1 1 310.362 -1.653 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001419966283 926512449 /nfs/dbraw/zinc/51/24/49/926512449.db2.gz KUYIJHCWGNTPEP-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001419966283 926512456 /nfs/dbraw/zinc/51/24/56/926512456.db2.gz KUYIJHCWGNTPEP-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001419973862 926514029 /nfs/dbraw/zinc/51/40/29/926514029.db2.gz LYXBTUWEZOPJLO-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001419973862 926514036 /nfs/dbraw/zinc/51/40/36/926514036.db2.gz LYXBTUWEZOPJLO-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)NC(N)=O ZINC001419958732 926514218 /nfs/dbraw/zinc/51/42/18/926514218.db2.gz XQIKJDSGXWFGSZ-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CN(CC[N@H+](C)CCCF)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001419984368 926515134 /nfs/dbraw/zinc/51/51/34/926515134.db2.gz LUCFFRLQGSIOQQ-JTQLQIEISA-N 1 1 323.390 -1.351 20 0 DAADMO CN(CC[N@@H+](C)CCCF)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001419984368 926515140 /nfs/dbraw/zinc/51/51/40/926515140.db2.gz LUCFFRLQGSIOQQ-JTQLQIEISA-N 1 1 323.390 -1.351 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)C(N)=O ZINC001420029843 926516570 /nfs/dbraw/zinc/51/65/70/926516570.db2.gz PSWOKPPPSBVWGI-SCZZXKLOSA-N 1 1 315.374 -2.370 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)C(N)=O ZINC001420029843 926516579 /nfs/dbraw/zinc/51/65/79/926516579.db2.gz PSWOKPPPSBVWGI-SCZZXKLOSA-N 1 1 315.374 -2.370 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001420018398 926517164 /nfs/dbraw/zinc/51/71/64/926517164.db2.gz AEJMSAHBKXOIBE-NSHDSACASA-N 1 1 322.369 -1.338 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001420053993 926517310 /nfs/dbraw/zinc/51/73/10/926517310.db2.gz ZRSASJCJLJMWEZ-JTQLQIEISA-N 1 1 319.369 -1.069 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1nc2ncccn2n1 ZINC001420053993 926517325 /nfs/dbraw/zinc/51/73/25/926517325.db2.gz ZRSASJCJLJMWEZ-JTQLQIEISA-N 1 1 319.369 -1.069 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420020769 926517441 /nfs/dbraw/zinc/51/74/41/926517441.db2.gz QXHQJNGYGZJCNM-VIFPVBQESA-N 1 1 313.358 -1.937 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420020769 926517444 /nfs/dbraw/zinc/51/74/44/926517444.db2.gz QXHQJNGYGZJCNM-VIFPVBQESA-N 1 1 313.358 -1.937 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001420045065 926517623 /nfs/dbraw/zinc/51/76/23/926517623.db2.gz HDZDXLPFFKKLDI-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001420045065 926517629 /nfs/dbraw/zinc/51/76/29/926517629.db2.gz HDZDXLPFFKKLDI-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420065065 926518058 /nfs/dbraw/zinc/51/80/58/926518058.db2.gz ZVDBQTCZVGOVBG-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420065065 926518067 /nfs/dbraw/zinc/51/80/67/926518067.db2.gz ZVDBQTCZVGOVBG-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001420056775 926518737 /nfs/dbraw/zinc/51/87/37/926518737.db2.gz ACJWNECRSLRXSS-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001420056775 926518742 /nfs/dbraw/zinc/51/87/42/926518742.db2.gz ACJWNECRSLRXSS-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001420086324 926520837 /nfs/dbraw/zinc/52/08/37/926520837.db2.gz ADJQNRDZOKCJKU-SNVBAGLBSA-N 1 1 321.341 -1.326 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)oc1C ZINC001420090106 926521289 /nfs/dbraw/zinc/52/12/89/926521289.db2.gz BTJXQGUUHOQDKB-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)[nH]1 ZINC001420101054 926522869 /nfs/dbraw/zinc/52/28/69/926522869.db2.gz HTNVHSIZYJZDKZ-VHSXEESVSA-N 1 1 310.358 -1.794 20 0 DAADMO CC[C@H](SC)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420098589 926522893 /nfs/dbraw/zinc/52/28/93/926522893.db2.gz GHURNYNPGKMTQT-IUCAKERBSA-N 1 1 302.404 -1.082 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)[nH]1 ZINC001420100957 926523459 /nfs/dbraw/zinc/52/34/59/926523459.db2.gz HTNVHSIZYJZDKZ-NXEZZACHSA-N 1 1 310.358 -1.794 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)[nH]1 ZINC001420101067 926523770 /nfs/dbraw/zinc/52/37/70/926523770.db2.gz HTNVHSIZYJZDKZ-ZJUUUORDSA-N 1 1 310.358 -1.794 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1)c1nnnn1C ZINC001420101429 926524990 /nfs/dbraw/zinc/52/49/90/926524990.db2.gz JAZSWMCMUDWKTL-SCZZXKLOSA-N 1 1 308.346 -1.615 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001420108601 926525396 /nfs/dbraw/zinc/52/53/96/926525396.db2.gz KPKKAOFXCGMEHK-GHMZBOCLSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001420102296 926526081 /nfs/dbraw/zinc/52/60/81/926526081.db2.gz RHYOZJGXHYLWKZ-VIFPVBQESA-N 1 1 323.357 -1.042 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001420109614 926527462 /nfs/dbraw/zinc/52/74/62/926527462.db2.gz MAKJHKUZMPIGDE-UWVGGRQHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001420115382 926528676 /nfs/dbraw/zinc/52/86/76/926528676.db2.gz RBMJJNZUJCCLQR-SECBINFHSA-N 1 1 308.346 -1.569 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001420115305 926529101 /nfs/dbraw/zinc/52/91/01/926529101.db2.gz QETPJGPQKJDMRK-GFCCVEGCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)co1 ZINC001420118125 926529250 /nfs/dbraw/zinc/52/92/50/926529250.db2.gz VHJOTRZSIKKTQB-SNVBAGLBSA-N 1 1 305.356 -1.406 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ccn[nH]1 ZINC001420118625 926530044 /nfs/dbraw/zinc/53/00/44/926530044.db2.gz UTSUZFBIJKXFPA-SECBINFHSA-N 1 1 311.321 -1.149 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCOC1 ZINC001420119486 926532076 /nfs/dbraw/zinc/53/20/76/926532076.db2.gz XCHDJDQHDAVPSV-GXSJLCMTSA-N 1 1 310.358 -1.389 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC2CC2)n[nH]1 ZINC001420126225 926532829 /nfs/dbraw/zinc/53/28/29/926532829.db2.gz IQYGKJZAVJFIJF-LDYMZIIASA-N 1 1 324.385 -1.611 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420127384 926533043 /nfs/dbraw/zinc/53/30/43/926533043.db2.gz UVEARQGNQFCYMF-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420127382 926534024 /nfs/dbraw/zinc/53/40/24/926534024.db2.gz UVEARQGNQFCYMF-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC2CC2)n[nH]1 ZINC001420126223 926534125 /nfs/dbraw/zinc/53/41/25/926534125.db2.gz IQYGKJZAVJFIJF-KWQFWETISA-N 1 1 324.385 -1.611 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001420132889 926535774 /nfs/dbraw/zinc/53/57/74/926535774.db2.gz YFHUAZROQBWFCH-GHMZBOCLSA-N 1 1 314.342 -1.250 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001420131618 926535849 /nfs/dbraw/zinc/53/58/49/926535849.db2.gz BEPUUSRZIBBIDB-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001420137826 926537181 /nfs/dbraw/zinc/53/71/81/926537181.db2.gz LENIYPIUKONDLP-QWRGUYRKSA-N 1 1 324.385 -1.702 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001420137064 926537332 /nfs/dbraw/zinc/53/73/32/926537332.db2.gz XYDZQLMXTCCLQJ-SNVBAGLBSA-N 1 1 322.373 -1.695 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1 ZINC001420138231 926537671 /nfs/dbraw/zinc/53/76/71/926537671.db2.gz NQQIBPXQUBMGMN-PWSUYJOCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001420136556 926538109 /nfs/dbraw/zinc/53/81/09/926538109.db2.gz HZWNTSBIIZYASG-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001420141079 926539630 /nfs/dbraw/zinc/53/96/30/926539630.db2.gz FXNKFWQIBKLRJW-JTQLQIEISA-N 1 1 323.357 -1.382 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)[nH]1 ZINC001420154046 926543617 /nfs/dbraw/zinc/54/36/17/926543617.db2.gz IJHDKROPCMAWHA-WDEREUQCSA-N 1 1 324.385 -1.404 20 0 DAADMO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001420155564 926544121 /nfs/dbraw/zinc/54/41/21/926544121.db2.gz LKFIXQPSKNFPGT-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO O=C(CN1CCCCC1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001420154412 926544699 /nfs/dbraw/zinc/54/46/99/926544699.db2.gz KBOGJSKFAROMOR-LLVKDONJSA-N 1 1 311.342 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)[nH]1 ZINC001420154028 926544717 /nfs/dbraw/zinc/54/47/17/926544717.db2.gz IJHDKROPCMAWHA-GHMZBOCLSA-N 1 1 324.385 -1.404 20 0 DAADMO CO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)C1CCC1 ZINC001420155810 926544960 /nfs/dbraw/zinc/54/49/60/926544960.db2.gz LQUXWCVAUVKGBY-JQWIXIFHSA-N 1 1 312.374 -1.408 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001420155550 926545132 /nfs/dbraw/zinc/54/51/32/926545132.db2.gz LKFIXQPSKNFPGT-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001420157184 926546121 /nfs/dbraw/zinc/54/61/21/926546121.db2.gz LKUOQTNLPUVPJB-GXSJLCMTSA-N 1 1 311.342 -1.305 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(F)CCOC2)n1 ZINC001420155880 926546310 /nfs/dbraw/zinc/54/63/10/926546310.db2.gz ODYNYYHWQHBKKP-PWSUYJOCSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001420155960 926546660 /nfs/dbraw/zinc/54/66/60/926546660.db2.gz OUXFDWPCUGWQLT-MRVPVSSYSA-N 1 1 307.314 -2.221 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cs1 ZINC001420161875 926546673 /nfs/dbraw/zinc/54/66/73/926546673.db2.gz YCFQWZPVHMJJJI-VHSXEESVSA-N 1 1 313.383 -1.300 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nn1 ZINC001420155836 926547021 /nfs/dbraw/zinc/54/70/21/926547021.db2.gz MENUXMIGCGBXLQ-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cs1 ZINC001420161877 926547331 /nfs/dbraw/zinc/54/73/31/926547331.db2.gz YCFQWZPVHMJJJI-ZJUUUORDSA-N 1 1 313.383 -1.300 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nn1 ZINC001420160093 926547517 /nfs/dbraw/zinc/54/75/17/926547517.db2.gz GSQQEEWWXRYEAM-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2n[nH]c3c2CCC3)nn1 ZINC001420160228 926547705 /nfs/dbraw/zinc/54/77/05/926547705.db2.gz ROJHRZHDTXQMDP-JTQLQIEISA-N 1 1 319.369 -1.093 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)cs1 ZINC001420165262 926548473 /nfs/dbraw/zinc/54/84/73/926548473.db2.gz AKZAJZAQTGNONW-SECBINFHSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001420162218 926549046 /nfs/dbraw/zinc/54/90/46/926549046.db2.gz UUXVAQBYCQHLPZ-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001420162220 926549247 /nfs/dbraw/zinc/54/92/47/926549247.db2.gz UUXVAQBYCQHLPZ-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001420172992 926550594 /nfs/dbraw/zinc/55/05/94/926550594.db2.gz PKCCVWJOCQSNHN-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001420172985 926551220 /nfs/dbraw/zinc/55/12/20/926551220.db2.gz PKCCVWJOCQSNHN-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001420175515 926553086 /nfs/dbraw/zinc/55/30/86/926553086.db2.gz URMGSFFIFXDXCZ-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNCc1ncccn1 ZINC001420180714 926553320 /nfs/dbraw/zinc/55/33/20/926553320.db2.gz BUGPQIBDOUFGMI-ZDUSSCGKSA-N 1 1 323.397 -1.234 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001420179872 926553701 /nfs/dbraw/zinc/55/37/01/926553701.db2.gz CYUUZOYBSWTZLM-CYBMUJFWSA-N 1 1 311.386 -1.230 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001420175514 926553821 /nfs/dbraw/zinc/55/38/21/926553821.db2.gz URMGSFFIFXDXCZ-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)c(=O)c1 ZINC001420177817 926554562 /nfs/dbraw/zinc/55/45/62/926554562.db2.gz LDJKXAKMDHCYTC-LBPRGKRZSA-N 1 1 321.337 -1.193 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1cnnn1)c1ncccn1 ZINC001420181858 926555427 /nfs/dbraw/zinc/55/54/27/926555427.db2.gz DTTJTICQJMBKOD-QWRGUYRKSA-N 1 1 320.357 -1.319 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001420186716 926555670 /nfs/dbraw/zinc/55/56/70/926555670.db2.gz RCWYGTOJPBBVKK-JTQLQIEISA-N 1 1 306.326 -1.023 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001420181720 926555894 /nfs/dbraw/zinc/55/58/94/926555894.db2.gz DGTCVZQOQPLOCH-APPZFPTMSA-N 1 1 308.346 -1.317 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COCCO1)C[C@H]1CCS(=O)(=O)C1 ZINC001420182927 926556134 /nfs/dbraw/zinc/55/61/34/926556134.db2.gz NQHNRAVCNZULMI-VXGBXAGGSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COCCO1)C[C@H]1CCS(=O)(=O)C1 ZINC001420182927 926556142 /nfs/dbraw/zinc/55/61/42/926556142.db2.gz NQHNRAVCNZULMI-VXGBXAGGSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COCCO1)CCNS(C)(=O)=O ZINC001420184357 926556504 /nfs/dbraw/zinc/55/65/04/926556504.db2.gz PXLKPCNOZMAPGV-JTQLQIEISA-N 1 1 309.388 -2.001 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)CCNS(C)(=O)=O ZINC001420184357 926556512 /nfs/dbraw/zinc/55/65/12/926556512.db2.gz PXLKPCNOZMAPGV-JTQLQIEISA-N 1 1 309.388 -2.001 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)c[nH]1 ZINC001420188370 926557981 /nfs/dbraw/zinc/55/79/81/926557981.db2.gz ANTZXMQNDHTOGV-LLVKDONJSA-N 1 1 320.353 -1.308 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccn(C)c1=O ZINC001420193534 926558062 /nfs/dbraw/zinc/55/80/62/926558062.db2.gz JQYUZXNDTXUFMI-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c[nH]1 ZINC001420191493 926559141 /nfs/dbraw/zinc/55/91/41/926559141.db2.gz FBXQKMLARFORSX-VIFPVBQESA-N 1 1 321.341 -1.913 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)c[nH]1 ZINC001420188379 926559189 /nfs/dbraw/zinc/55/91/89/926559189.db2.gz ANTZXMQNDHTOGV-NSHDSACASA-N 1 1 320.353 -1.308 20 0 DAADMO COc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001420195685 926559772 /nfs/dbraw/zinc/55/97/72/926559772.db2.gz FVBYYJMORPCAON-JTQLQIEISA-N 1 1 323.357 -1.562 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ncccn1 ZINC001420195269 926559999 /nfs/dbraw/zinc/55/99/99/926559999.db2.gz MBQAJAXZGWXDKR-JTQLQIEISA-N 1 1 323.332 -1.082 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ncccn1 ZINC001420196360 926560475 /nfs/dbraw/zinc/56/04/75/926560475.db2.gz NBAANIGNKIBNSN-JTQLQIEISA-N 1 1 320.357 -1.800 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001420193838 926561030 /nfs/dbraw/zinc/56/10/30/926561030.db2.gz JXGXLVGOSQLKAH-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001420193838 926561043 /nfs/dbraw/zinc/56/10/43/926561043.db2.gz JXGXLVGOSQLKAH-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ncccn1 ZINC001420195271 926561166 /nfs/dbraw/zinc/56/11/66/926561166.db2.gz MBQAJAXZGWXDKR-SNVBAGLBSA-N 1 1 323.332 -1.082 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420195472 926561207 /nfs/dbraw/zinc/56/12/07/926561207.db2.gz FNTOXHDRVODVOK-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001420193841 926561522 /nfs/dbraw/zinc/56/15/22/926561522.db2.gz JXGXLVGOSQLKAH-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001420193841 926561530 /nfs/dbraw/zinc/56/15/30/926561530.db2.gz JXGXLVGOSQLKAH-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2cn[nH]c2)n(C)c1=O ZINC001420196842 926561870 /nfs/dbraw/zinc/56/18/70/926561870.db2.gz HJCOBWPBOAJKHA-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2cn[nH]c2)n(C)c1=O ZINC001420196842 926561878 /nfs/dbraw/zinc/56/18/78/926561878.db2.gz HJCOBWPBOAJKHA-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)ccc1=O ZINC001420203510 926563082 /nfs/dbraw/zinc/56/30/82/926563082.db2.gz HUZUJOJJXNWSFW-SNVBAGLBSA-N 1 1 318.337 -1.549 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001420206975 926565053 /nfs/dbraw/zinc/56/50/53/926565053.db2.gz CRNIQJDVZSBGGR-CYBMUJFWSA-N 1 1 321.385 -1.023 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001420211261 926565671 /nfs/dbraw/zinc/56/56/71/926565671.db2.gz KUYKPILMDULNEH-NRUUGDAUSA-N 1 1 311.342 -1.609 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001420211261 926565673 /nfs/dbraw/zinc/56/56/73/926565673.db2.gz KUYKPILMDULNEH-NRUUGDAUSA-N 1 1 311.342 -1.609 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001420212357 926565921 /nfs/dbraw/zinc/56/59/21/926565921.db2.gz SCAMAENAWQMKHD-UWVGGRQHSA-N 1 1 308.342 -1.078 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001420207648 926566044 /nfs/dbraw/zinc/56/60/44/926566044.db2.gz CGZMLMNTRXKHRQ-QMMMGPOBSA-N 1 1 308.360 -2.308 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001420207648 926566053 /nfs/dbraw/zinc/56/60/53/926566053.db2.gz CGZMLMNTRXKHRQ-QMMMGPOBSA-N 1 1 308.360 -2.308 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)c1cnn(C)c1 ZINC001420221172 926567551 /nfs/dbraw/zinc/56/75/51/926567551.db2.gz GKLGQFFRTUGDPU-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001420236353 926569613 /nfs/dbraw/zinc/56/96/13/926569613.db2.gz YMTPWZPJBULSQI-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001420231197 926569649 /nfs/dbraw/zinc/56/96/49/926569649.db2.gz CGIXWZJWDMOAPL-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(=O)COC ZINC001420231197 926569653 /nfs/dbraw/zinc/56/96/53/926569653.db2.gz CGIXWZJWDMOAPL-SNVBAGLBSA-N 1 1 302.375 -1.726 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001420243533 926570184 /nfs/dbraw/zinc/57/01/84/926570184.db2.gz JUIOAPBSDRRAKT-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001420243533 926570187 /nfs/dbraw/zinc/57/01/87/926570187.db2.gz JUIOAPBSDRRAKT-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420240052 926570317 /nfs/dbraw/zinc/57/03/17/926570317.db2.gz RRVZSWXTKYWKAV-SECBINFHSA-N 1 1 313.358 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420240052 926570324 /nfs/dbraw/zinc/57/03/24/926570324.db2.gz RRVZSWXTKYWKAV-SECBINFHSA-N 1 1 313.358 -2.032 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420240720 926570383 /nfs/dbraw/zinc/57/03/83/926570383.db2.gz OCYJVFFCIUXVMP-NXEZZACHSA-N 1 1 324.389 -1.267 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNCc1cnn(C)n1 ZINC001420264364 926571648 /nfs/dbraw/zinc/57/16/48/926571648.db2.gz MGQFJHMETMEAPD-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2c1OCCC2)CC(=O)NC(N)=O ZINC001420260789 926571886 /nfs/dbraw/zinc/57/18/86/926571886.db2.gz TUHWLKUOGKPKID-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2c1OCCC2)CC(=O)NC(N)=O ZINC001420260789 926571892 /nfs/dbraw/zinc/57/18/92/926571892.db2.gz TUHWLKUOGKPKID-UHFFFAOYSA-N 1 1 324.341 -1.478 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001420256262 926572361 /nfs/dbraw/zinc/57/23/61/926572361.db2.gz YHILVUSTDQWZOU-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001420256262 926572369 /nfs/dbraw/zinc/57/23/69/926572369.db2.gz YHILVUSTDQWZOU-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001420254734 926573444 /nfs/dbraw/zinc/57/34/44/926573444.db2.gz OMOSFHXDIXOUHE-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)ccc2=O)nn1 ZINC001420253244 926573718 /nfs/dbraw/zinc/57/37/18/926573718.db2.gz GJGWONLUTSPRLJ-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)S(C)(=O)=O ZINC001420280362 926574181 /nfs/dbraw/zinc/57/41/81/926574181.db2.gz SIRCQZOVIRDIIB-GDNZZTSVSA-N 1 1 319.427 -1.182 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)S(C)(=O)=O ZINC001420280362 926574192 /nfs/dbraw/zinc/57/41/92/926574192.db2.gz SIRCQZOVIRDIIB-GDNZZTSVSA-N 1 1 319.427 -1.182 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC001420269758 926574558 /nfs/dbraw/zinc/57/45/58/926574558.db2.gz HEXVOHGMFVSRPA-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC001420269763 926574990 /nfs/dbraw/zinc/57/49/90/926574990.db2.gz HEXVOHGMFVSRPA-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC1CCOCC1 ZINC001420281239 926575221 /nfs/dbraw/zinc/57/52/21/926575221.db2.gz CTCFBNAVOXWDNQ-UHFFFAOYSA-N 1 1 312.414 -1.107 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001420277504 926576290 /nfs/dbraw/zinc/57/62/90/926576290.db2.gz RQDQGBGJQKSEHE-UHFFFAOYSA-N 1 1 324.385 -1.178 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001420277504 926576298 /nfs/dbraw/zinc/57/62/98/926576298.db2.gz RQDQGBGJQKSEHE-UHFFFAOYSA-N 1 1 324.385 -1.178 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001420303500 926576787 /nfs/dbraw/zinc/57/67/87/926576787.db2.gz DTMMUMJSZAZDOG-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001420303500 926576792 /nfs/dbraw/zinc/57/67/92/926576792.db2.gz DTMMUMJSZAZDOG-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)CCN1CCNC1=O ZINC001420298350 926576849 /nfs/dbraw/zinc/57/68/49/926576849.db2.gz KCWKJWZANJMUGG-UHFFFAOYSA-N 1 1 322.369 -1.200 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001420292672 926577163 /nfs/dbraw/zinc/57/71/63/926577163.db2.gz SBQVILWQDTXIPJ-SFYZADRCSA-N 1 1 316.387 -1.590 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001420298046 926577993 /nfs/dbraw/zinc/57/79/93/926577993.db2.gz DTHQGNDYSOJXMI-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001420298046 926578003 /nfs/dbraw/zinc/57/80/03/926578003.db2.gz DTHQGNDYSOJXMI-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420296959 926578239 /nfs/dbraw/zinc/57/82/39/926578239.db2.gz SMPJCDCBFRFGOD-GARJFASQSA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420296959 926578244 /nfs/dbraw/zinc/57/82/44/926578244.db2.gz SMPJCDCBFRFGOD-GARJFASQSA-N 1 1 314.386 -1.456 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnon1)C[C@H](O)CN1CCCC1=O ZINC001420319103 926579323 /nfs/dbraw/zinc/57/93/23/926579323.db2.gz NCZPYXMHWSSUNI-JTQLQIEISA-N 1 1 311.342 -1.286 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001420310913 926579733 /nfs/dbraw/zinc/57/97/33/926579733.db2.gz OYYCYFZGEDEDSR-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cncc(OC)n1 ZINC001420310913 926579738 /nfs/dbraw/zinc/57/97/38/926579738.db2.gz OYYCYFZGEDEDSR-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CCn1cc(CC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)cn1 ZINC001420325627 926581126 /nfs/dbraw/zinc/58/11/26/926581126.db2.gz DGVSYAUJFXGUTJ-UHFFFAOYSA-N 1 1 324.385 -1.051 20 0 DAADMO CCn1cc(CC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)cn1 ZINC001420325627 926581129 /nfs/dbraw/zinc/58/11/29/926581129.db2.gz DGVSYAUJFXGUTJ-UHFFFAOYSA-N 1 1 324.385 -1.051 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)CS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001420350078 926583191 /nfs/dbraw/zinc/58/31/91/926583191.db2.gz FPJWCHDFIAAVLL-QWRGUYRKSA-N 1 1 307.416 -1.856 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001420365620 926585670 /nfs/dbraw/zinc/58/56/70/926585670.db2.gz HCXUJTMTVNSTBF-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001420380155 926586863 /nfs/dbraw/zinc/58/68/63/926586863.db2.gz CCXQVUSQRQZILZ-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001420392567 926587114 /nfs/dbraw/zinc/58/71/14/926587114.db2.gz KNHGYGLOPOFANT-VIFPVBQESA-N 1 1 303.388 -1.063 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001420375824 926588221 /nfs/dbraw/zinc/58/82/21/926588221.db2.gz XRNWZUQDDWTYGP-RKDXNWHRSA-N 1 1 322.373 -1.284 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C[C@H]2CCOC2)nn1)CC(N)=O ZINC001420432315 926591521 /nfs/dbraw/zinc/59/15/21/926591521.db2.gz BOOTUOBOWQCQCD-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C[C@H]2CCOC2)nn1)CC(N)=O ZINC001420432315 926591526 /nfs/dbraw/zinc/59/15/26/926591526.db2.gz BOOTUOBOWQCQCD-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001420446856 926592105 /nfs/dbraw/zinc/59/21/05/926592105.db2.gz XSFHOVXTUHZYKW-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001420441911 926592235 /nfs/dbraw/zinc/59/22/35/926592235.db2.gz PZOHESILGMSKGQ-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C(N)=O ZINC001420441911 926592242 /nfs/dbraw/zinc/59/22/42/926592242.db2.gz PZOHESILGMSKGQ-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)[C@@H](C)C(N)=O ZINC001420429698 926592778 /nfs/dbraw/zinc/59/27/78/926592778.db2.gz YBDRLBZFUHUKIL-WDEREUQCSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)[C@@H](C)C(N)=O ZINC001420429698 926592787 /nfs/dbraw/zinc/59/27/87/926592787.db2.gz YBDRLBZFUHUKIL-WDEREUQCSA-N 1 1 323.401 -1.063 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001420440270 926593065 /nfs/dbraw/zinc/59/30/65/926593065.db2.gz UUJVEWXWRFUYJT-NSHDSACASA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420478418 926593490 /nfs/dbraw/zinc/59/34/90/926593490.db2.gz BJDTWZUEPVINDI-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001420477270 926594095 /nfs/dbraw/zinc/59/40/95/926594095.db2.gz DBRJSWWEQWOWMX-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)COC ZINC001420468178 926594265 /nfs/dbraw/zinc/59/42/65/926594265.db2.gz ITGFHGHHIGRDGB-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420478487 926594713 /nfs/dbraw/zinc/59/47/13/926594713.db2.gz BJDTWZUEPVINDI-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001420485098 926595740 /nfs/dbraw/zinc/59/57/40/926595740.db2.gz XJEWAOLQBMZHJP-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001420485096 926595894 /nfs/dbraw/zinc/59/58/94/926595894.db2.gz XJEWAOLQBMZHJP-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001420495175 926596397 /nfs/dbraw/zinc/59/63/97/926596397.db2.gz CXPLLANTMUNBGB-NSHDSACASA-N 1 1 320.353 -1.536 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC001420485863 926596808 /nfs/dbraw/zinc/59/68/08/926596808.db2.gz QCCKDKKXISCKIH-GHMZBOCLSA-N 1 1 322.369 -1.565 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001420531254 926598269 /nfs/dbraw/zinc/59/82/69/926598269.db2.gz NTTZAAHTKJJBEB-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001420532298 926598573 /nfs/dbraw/zinc/59/85/73/926598573.db2.gz QCQJWKJFBQGKEB-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001420538653 926598765 /nfs/dbraw/zinc/59/87/65/926598765.db2.gz IGHOKFXLPNSVJJ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001420538653 926598769 /nfs/dbraw/zinc/59/87/69/926598769.db2.gz IGHOKFXLPNSVJJ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420536530 926598826 /nfs/dbraw/zinc/59/88/26/926598826.db2.gz FTZLPDMXKHAVBU-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001420534672 926599201 /nfs/dbraw/zinc/59/92/01/926599201.db2.gz FPWHUDOQVRXFRR-JTQLQIEISA-N 1 1 321.385 -1.212 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001420520357 926599775 /nfs/dbraw/zinc/59/97/75/926599775.db2.gz HNYWZBZSTQPCPN-GUBZILKMSA-N 1 1 324.389 -1.092 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001420552980 926601311 /nfs/dbraw/zinc/60/13/11/926601311.db2.gz DIQIOHJNQCZACK-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001420552980 926601317 /nfs/dbraw/zinc/60/13/17/926601317.db2.gz DIQIOHJNQCZACK-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001420554917 926601568 /nfs/dbraw/zinc/60/15/68/926601568.db2.gz WOZPGKGSJIOBSJ-NEPJUHHUSA-N 1 1 321.381 -1.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001420554947 926602148 /nfs/dbraw/zinc/60/21/48/926602148.db2.gz WOZPGKGSJIOBSJ-RYUDHWBXSA-N 1 1 321.381 -1.055 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420603751 926602951 /nfs/dbraw/zinc/60/29/51/926602951.db2.gz VEQPLKLWSFFNBO-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420603751 926602962 /nfs/dbraw/zinc/60/29/62/926602962.db2.gz VEQPLKLWSFFNBO-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001420621921 926603216 /nfs/dbraw/zinc/60/32/16/926603216.db2.gz QYRWOQXBUNUQIP-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001420621921 926603224 /nfs/dbraw/zinc/60/32/24/926603224.db2.gz QYRWOQXBUNUQIP-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)CC1=O ZINC001420584627 926603671 /nfs/dbraw/zinc/60/36/71/926603671.db2.gz QYXANSKXPKUWPK-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001420586661 926603788 /nfs/dbraw/zinc/60/37/88/926603788.db2.gz MCCYAEMKOGWKRK-BHDSKKPTSA-N 1 1 310.354 -1.202 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001420586661 926603794 /nfs/dbraw/zinc/60/37/94/926603794.db2.gz MCCYAEMKOGWKRK-BHDSKKPTSA-N 1 1 310.354 -1.202 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001420593319 926603849 /nfs/dbraw/zinc/60/38/49/926603849.db2.gz AYOLTRSKELYHJW-QMMMGPOBSA-N 1 1 301.347 -2.840 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001420593319 926603853 /nfs/dbraw/zinc/60/38/53/926603853.db2.gz AYOLTRSKELYHJW-QMMMGPOBSA-N 1 1 301.347 -2.840 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001420589998 926604290 /nfs/dbraw/zinc/60/42/90/926604290.db2.gz NGDHRLASUAVWAS-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)CC1=O ZINC001420584630 926604511 /nfs/dbraw/zinc/60/45/11/926604511.db2.gz QYXANSKXPKUWPK-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001420586663 926604720 /nfs/dbraw/zinc/60/47/20/926604720.db2.gz MCCYAEMKOGWKRK-RBZYPMLTSA-N 1 1 310.354 -1.202 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001420586663 926604727 /nfs/dbraw/zinc/60/47/27/926604727.db2.gz MCCYAEMKOGWKRK-RBZYPMLTSA-N 1 1 310.354 -1.202 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001420590011 926604852 /nfs/dbraw/zinc/60/48/52/926604852.db2.gz NGDHRLASUAVWAS-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)Cn1nc2ccccn2c1=O ZINC001420626416 926605746 /nfs/dbraw/zinc/60/57/46/926605746.db2.gz YNNIKZARWHCOHR-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)Cn1nc2ccccn2c1=O ZINC001420626416 926605753 /nfs/dbraw/zinc/60/57/53/926605753.db2.gz YNNIKZARWHCOHR-JTQLQIEISA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623848 926605808 /nfs/dbraw/zinc/60/58/08/926605808.db2.gz XCMPSICOLBTVCG-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623848 926605817 /nfs/dbraw/zinc/60/58/17/926605817.db2.gz XCMPSICOLBTVCG-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnon1 ZINC001420644360 926605980 /nfs/dbraw/zinc/60/59/80/926605980.db2.gz IFZLWFCHBRMYDN-MRVPVSSYSA-N 1 1 305.360 -1.331 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnon1 ZINC001420644360 926605986 /nfs/dbraw/zinc/60/59/86/926605986.db2.gz IFZLWFCHBRMYDN-MRVPVSSYSA-N 1 1 305.360 -1.331 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001420631648 926606133 /nfs/dbraw/zinc/60/61/33/926606133.db2.gz ZFLGHGXYMZVAQY-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001420631648 926606135 /nfs/dbraw/zinc/60/61/35/926606135.db2.gz ZFLGHGXYMZVAQY-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001420644439 926606385 /nfs/dbraw/zinc/60/63/85/926606385.db2.gz FTVOBVNTFMOVME-UWVGGRQHSA-N 1 1 313.362 -2.393 20 0 DAADMO C[C@@H](CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)NC(N)=O ZINC001420640474 926606472 /nfs/dbraw/zinc/60/64/72/926606472.db2.gz BNBOVXAZARGYGD-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)NC(N)=O ZINC001420640474 926606483 /nfs/dbraw/zinc/60/64/83/926606483.db2.gz BNBOVXAZARGYGD-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)Cn1nc2ccccn2c1=O ZINC001420626419 926606642 /nfs/dbraw/zinc/60/66/42/926606642.db2.gz YNNIKZARWHCOHR-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)Cn1nc2ccccn2c1=O ZINC001420626419 926606647 /nfs/dbraw/zinc/60/66/47/926606647.db2.gz YNNIKZARWHCOHR-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001420644173 926606967 /nfs/dbraw/zinc/60/69/67/926606967.db2.gz HCYRKHQUNGANGD-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001420630376 926607162 /nfs/dbraw/zinc/60/71/62/926607162.db2.gz WZNYXFUNBMOHNF-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001420630376 926607165 /nfs/dbraw/zinc/60/71/65/926607165.db2.gz WZNYXFUNBMOHNF-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001420623851 926607261 /nfs/dbraw/zinc/60/72/61/926607261.db2.gz XCMPSICOLBTVCG-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001420623851 926607266 /nfs/dbraw/zinc/60/72/66/926607266.db2.gz XCMPSICOLBTVCG-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO COCC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001420676154 926609207 /nfs/dbraw/zinc/60/92/07/926609207.db2.gz RYPNTPQTXGOFRP-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1cc(C(N)=O)ccn1)C1CC1 ZINC001420708513 926609846 /nfs/dbraw/zinc/60/98/46/926609846.db2.gz DIPRYZYPJVONRY-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1cc(C(N)=O)ccn1)C1CC1 ZINC001420708513 926609854 /nfs/dbraw/zinc/60/98/54/926609854.db2.gz DIPRYZYPJVONRY-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CCn1cnccc1=O)C1CC1 ZINC001420693708 926610254 /nfs/dbraw/zinc/61/02/54/926610254.db2.gz KSGBTIIDRBBUMI-UHFFFAOYSA-N 1 1 307.354 -1.301 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CCn1cnccc1=O)C1CC1 ZINC001420693708 926610260 /nfs/dbraw/zinc/61/02/60/926610260.db2.gz KSGBTIIDRBBUMI-UHFFFAOYSA-N 1 1 307.354 -1.301 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1nccnc1N)C1CC1 ZINC001420715800 926612689 /nfs/dbraw/zinc/61/26/89/926612689.db2.gz HCHKXYMGUUQHOP-SECBINFHSA-N 1 1 317.357 -1.120 20 0 DAADMO CN1C[C@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001420761661 926614024 /nfs/dbraw/zinc/61/40/24/926614024.db2.gz DXMOBTWYZPATIM-NXEZZACHSA-N 1 1 322.373 -1.782 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001420790356 926617034 /nfs/dbraw/zinc/61/70/34/926617034.db2.gz PZIJSUVWHJRPKV-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)c2ccccc2)NC1=O ZINC001420772931 926617424 /nfs/dbraw/zinc/61/74/24/926617424.db2.gz HHBCSPULSMULRP-NWDGAFQWSA-N 1 1 319.365 -1.058 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001420837267 926618526 /nfs/dbraw/zinc/61/85/26/926618526.db2.gz FXXJYOFMSCGMDZ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001420837267 926618531 /nfs/dbraw/zinc/61/85/31/926618531.db2.gz FXXJYOFMSCGMDZ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420838066 926619641 /nfs/dbraw/zinc/61/96/41/926619641.db2.gz WQXKANWASZLKDW-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828965 926619900 /nfs/dbraw/zinc/61/99/00/926619900.db2.gz WXIQGFRVUCSQTF-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828965 926619909 /nfs/dbraw/zinc/61/99/09/926619909.db2.gz WXIQGFRVUCSQTF-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001420839629 926621139 /nfs/dbraw/zinc/62/11/39/926621139.db2.gz JGHJNSIQUICLAM-KOLCDFICSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001420843462 926621304 /nfs/dbraw/zinc/62/13/04/926621304.db2.gz MOUASZBVRWSHGT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001420843462 926621308 /nfs/dbraw/zinc/62/13/08/926621308.db2.gz MOUASZBVRWSHGT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420846264 926621565 /nfs/dbraw/zinc/62/15/65/926621565.db2.gz FUTLRLZOKZURCF-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001420882589 926623908 /nfs/dbraw/zinc/62/39/08/926623908.db2.gz FWPYYLAJMARSBT-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420865300 926623946 /nfs/dbraw/zinc/62/39/46/926623946.db2.gz BSEAVVHDNUFOOL-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001420878179 926624024 /nfs/dbraw/zinc/62/40/24/926624024.db2.gz BHPMWJDLSXPWFY-VIFPVBQESA-N 1 1 323.353 -1.587 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001420880035 926624184 /nfs/dbraw/zinc/62/41/84/926624184.db2.gz VYZJSUBZCZKXQX-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001420880035 926624189 /nfs/dbraw/zinc/62/41/89/926624189.db2.gz VYZJSUBZCZKXQX-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420913140 926627900 /nfs/dbraw/zinc/62/79/00/926627900.db2.gz PQCCFYFTNPERKJ-LLVKDONJSA-N 1 1 309.374 -1.458 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)C)C1 ZINC001420928167 926628516 /nfs/dbraw/zinc/62/85/16/926628516.db2.gz RJDRCRHLJMHIHC-WDEREUQCSA-N 1 1 313.402 -1.088 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001420936116 926629302 /nfs/dbraw/zinc/62/93/02/926629302.db2.gz ZZZQKMALABBIHB-JTQLQIEISA-N 1 1 308.404 -2.187 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001420936118 926629466 /nfs/dbraw/zinc/62/94/66/926629466.db2.gz ZZZQKMALABBIHB-SNVBAGLBSA-N 1 1 308.404 -2.187 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001420934866 926630500 /nfs/dbraw/zinc/63/05/00/926630500.db2.gz SHSMWGJPXXJXBP-VIFPVBQESA-N 1 1 324.341 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001420949378 926630578 /nfs/dbraw/zinc/63/05/78/926630578.db2.gz YPOBHPBBZNBZON-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001420985472 926631827 /nfs/dbraw/zinc/63/18/27/926631827.db2.gz FTHAKIVMHPUFQC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001420985472 926631832 /nfs/dbraw/zinc/63/18/32/926631832.db2.gz FTHAKIVMHPUFQC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001420987980 926632078 /nfs/dbraw/zinc/63/20/78/926632078.db2.gz UBYGFFVRWAPURH-GHMZBOCLSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001420987980 926632083 /nfs/dbraw/zinc/63/20/83/926632083.db2.gz UBYGFFVRWAPURH-GHMZBOCLSA-N 1 1 321.385 -1.127 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001421036470 926636259 /nfs/dbraw/zinc/63/62/59/926636259.db2.gz LOZJYIWNXYYNHS-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCO ZINC001421026909 926636599 /nfs/dbraw/zinc/63/65/99/926636599.db2.gz DRLBYGZNFKLWBA-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001421026909 926636604 /nfs/dbraw/zinc/63/66/04/926636604.db2.gz DRLBYGZNFKLWBA-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421048811 926637471 /nfs/dbraw/zinc/63/74/71/926637471.db2.gz FMQPXFRLOGQTPD-ONGXEEELSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(CCNS(C)(=O)=O)C1 ZINC001421070751 926641176 /nfs/dbraw/zinc/64/11/76/926641176.db2.gz YEHLPNDJINWNRG-GFCCVEGCSA-N 1 1 318.443 -1.228 20 0 DAADMO CCCC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001421100179 926645460 /nfs/dbraw/zinc/64/54/60/926645460.db2.gz BOFZKUUTPNUQPO-NSHDSACASA-N 1 1 309.374 -1.235 20 0 DAADMO CO[C@@H](C)C(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001421116951 926646627 /nfs/dbraw/zinc/64/66/27/926646627.db2.gz XLBZGYGNQODLSY-JTQLQIEISA-N 1 1 307.416 -1.039 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001421123816 926646754 /nfs/dbraw/zinc/64/67/54/926646754.db2.gz BUNCEGZDNWXYSY-UHFFFAOYSA-N 1 1 309.374 -1.412 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001421136052 926648656 /nfs/dbraw/zinc/64/86/56/926648656.db2.gz IPMBLIQVUNCSSC-UHFFFAOYSA-N 1 1 324.385 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001421139325 926648809 /nfs/dbraw/zinc/64/88/09/926648809.db2.gz PIKOZANRWSKMBJ-VIFPVBQESA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421133195 926648897 /nfs/dbraw/zinc/64/88/97/926648897.db2.gz SZWJJSLEZKHCGR-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421145181 926649959 /nfs/dbraw/zinc/64/99/59/926649959.db2.gz PYLNDNDLYRGGIK-JTQLQIEISA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(Cc2nnnn2C)C1 ZINC001421144403 926650060 /nfs/dbraw/zinc/65/00/60/926650060.db2.gz LPBGQNRXRPHWKX-UHFFFAOYSA-N 1 1 304.358 -1.037 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421149976 926650748 /nfs/dbraw/zinc/65/07/48/926650748.db2.gz PNZFTJOVQSXDSZ-VXGBXAGGSA-N 1 1 308.382 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001421169707 926652118 /nfs/dbraw/zinc/65/21/18/926652118.db2.gz AQOSTZZFVPZSEE-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CCCC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421173993 926653064 /nfs/dbraw/zinc/65/30/64/926653064.db2.gz OHCHTGVTQKRNPH-MNOVXSKESA-N 1 1 311.386 -1.240 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001421188012 926653321 /nfs/dbraw/zinc/65/33/21/926653321.db2.gz CAQIIJRWTAYFCC-SMDDNHRTSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)C(N)=O ZINC001421203459 926653981 /nfs/dbraw/zinc/65/39/81/926653981.db2.gz LCYQPYVBWJBTHH-SRVKXCTJSA-N 1 1 312.370 -1.966 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421199538 926654140 /nfs/dbraw/zinc/65/41/40/926654140.db2.gz AQKOMRXSSWWWAV-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421199538 926654147 /nfs/dbraw/zinc/65/41/47/926654147.db2.gz AQKOMRXSSWWWAV-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001421202576 926654895 /nfs/dbraw/zinc/65/48/95/926654895.db2.gz GOWWNVPGVORMKN-CYBMUJFWSA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207333 926655196 /nfs/dbraw/zinc/65/51/96/926655196.db2.gz NEJUNKIMWAEFIJ-JOYOIKCWSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207333 926655199 /nfs/dbraw/zinc/65/51/99/926655199.db2.gz NEJUNKIMWAEFIJ-JOYOIKCWSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207329 926655234 /nfs/dbraw/zinc/65/52/34/926655234.db2.gz NEJUNKIMWAEFIJ-CABZTGNLSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207329 926655238 /nfs/dbraw/zinc/65/52/38/926655238.db2.gz NEJUNKIMWAEFIJ-CABZTGNLSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001421226806 926656457 /nfs/dbraw/zinc/65/64/57/926656457.db2.gz ZCBFDBKCEVFLGC-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001421226806 926656462 /nfs/dbraw/zinc/65/64/62/926656462.db2.gz ZCBFDBKCEVFLGC-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421228569 926656978 /nfs/dbraw/zinc/65/69/78/926656978.db2.gz KQCXXSYITNBTKG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421228569 926656986 /nfs/dbraw/zinc/65/69/86/926656986.db2.gz KQCXXSYITNBTKG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421244548 926657460 /nfs/dbraw/zinc/65/74/60/926657460.db2.gz OATCKKLQDFOALE-NWDGAFQWSA-N 1 1 319.365 -1.288 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421244548 926657467 /nfs/dbraw/zinc/65/74/67/926657467.db2.gz OATCKKLQDFOALE-NWDGAFQWSA-N 1 1 319.365 -1.288 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001421227967 926657951 /nfs/dbraw/zinc/65/79/51/926657951.db2.gz XQYOROWDZPZZIZ-YGRLFVJLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001421227967 926657955 /nfs/dbraw/zinc/65/79/55/926657955.db2.gz XQYOROWDZPZZIZ-YGRLFVJLSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001421227409 926658480 /nfs/dbraw/zinc/65/84/80/926658480.db2.gz BVRHERLDRNOWGK-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001421299448 926659643 /nfs/dbraw/zinc/65/96/43/926659643.db2.gz CJDQJENYUUQQBT-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001421299448 926659651 /nfs/dbraw/zinc/65/96/51/926659651.db2.gz CJDQJENYUUQQBT-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001421252947 926660595 /nfs/dbraw/zinc/66/05/95/926660595.db2.gz IKNVHEGFULXAGB-BFVZDQMLSA-N 1 1 321.385 -1.340 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421271602 926660608 /nfs/dbraw/zinc/66/06/08/926660608.db2.gz OLZNIQYCEDQKPA-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421271602 926660615 /nfs/dbraw/zinc/66/06/15/926660615.db2.gz OLZNIQYCEDQKPA-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001421301542 926662454 /nfs/dbraw/zinc/66/24/54/926662454.db2.gz KZRSUIRZAHFZOB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421323957 926662776 /nfs/dbraw/zinc/66/27/76/926662776.db2.gz BPXARJHUWLIMQF-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421323957 926662780 /nfs/dbraw/zinc/66/27/80/926662780.db2.gz BPXARJHUWLIMQF-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC)C1 ZINC001421318685 926662791 /nfs/dbraw/zinc/66/27/91/926662791.db2.gz LIIAISCQYCQECP-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC)C1 ZINC001421318685 926662794 /nfs/dbraw/zinc/66/27/94/926662794.db2.gz LIIAISCQYCQECP-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300503 926663047 /nfs/dbraw/zinc/66/30/47/926663047.db2.gz JYXJYDXTECJPFX-RKDXNWHRSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300503 926663052 /nfs/dbraw/zinc/66/30/52/926663052.db2.gz JYXJYDXTECJPFX-RKDXNWHRSA-N 1 1 324.345 -2.211 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001421322892 926663109 /nfs/dbraw/zinc/66/31/09/926663109.db2.gz YZZWJBYFHDPQHE-AAEUAGOBSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001421322892 926663117 /nfs/dbraw/zinc/66/31/17/926663117.db2.gz YZZWJBYFHDPQHE-AAEUAGOBSA-N 1 1 322.427 -1.134 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001421320012 926663228 /nfs/dbraw/zinc/66/32/28/926663228.db2.gz ADWNGVFOXCKMNF-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001421320012 926663238 /nfs/dbraw/zinc/66/32/38/926663238.db2.gz ADWNGVFOXCKMNF-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001421313613 926663417 /nfs/dbraw/zinc/66/34/17/926663417.db2.gz UUWGWWLYBAMVOJ-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001421313613 926663425 /nfs/dbraw/zinc/66/34/25/926663425.db2.gz UUWGWWLYBAMVOJ-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001421334515 926665210 /nfs/dbraw/zinc/66/52/10/926665210.db2.gz BQYHVDVOSYVNOH-ZANVPECISA-N 1 1 316.358 -1.970 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421333891 926665429 /nfs/dbraw/zinc/66/54/29/926665429.db2.gz ROFVEGAFXQYBHR-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001421333891 926665440 /nfs/dbraw/zinc/66/54/40/926665440.db2.gz ROFVEGAFXQYBHR-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421326748 926665502 /nfs/dbraw/zinc/66/55/02/926665502.db2.gz GILKLEILLYPYEG-PELKAZGASA-N 1 1 313.383 -1.113 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421326748 926665513 /nfs/dbraw/zinc/66/55/13/926665513.db2.gz GILKLEILLYPYEG-PELKAZGASA-N 1 1 313.383 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001421334504 926666034 /nfs/dbraw/zinc/66/60/34/926666034.db2.gz BQYHVDVOSYVNOH-NOZJJQNGSA-N 1 1 316.358 -1.970 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001421329852 926666107 /nfs/dbraw/zinc/66/61/07/926666107.db2.gz YFOGIPGMWFRYGJ-KRTXAFLBSA-N 1 1 322.312 -1.351 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001421329852 926666111 /nfs/dbraw/zinc/66/61/11/926666111.db2.gz YFOGIPGMWFRYGJ-KRTXAFLBSA-N 1 1 322.312 -1.351 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001421335325 926666436 /nfs/dbraw/zinc/66/64/36/926666436.db2.gz UQJAHDSISLCHHV-RYUDHWBXSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1nnsc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421326752 926666625 /nfs/dbraw/zinc/66/66/25/926666625.db2.gz GILKLEILLYPYEG-PRHODGIISA-N 1 1 313.383 -1.113 20 0 DAADMO Cc1nnsc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421326752 926666631 /nfs/dbraw/zinc/66/66/31/926666631.db2.gz GILKLEILLYPYEG-PRHODGIISA-N 1 1 313.383 -1.113 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]n1 ZINC001421337885 926666690 /nfs/dbraw/zinc/66/66/90/926666690.db2.gz LEIHIDXBCDSEFZ-FZMZJTMJSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]n1 ZINC001421337885 926666696 /nfs/dbraw/zinc/66/66/96/926666696.db2.gz LEIHIDXBCDSEFZ-FZMZJTMJSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421341070 926667730 /nfs/dbraw/zinc/66/77/30/926667730.db2.gz STVWZTHNUKZBCH-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421341070 926667739 /nfs/dbraw/zinc/66/77/39/926667739.db2.gz STVWZTHNUKZBCH-WFASDCNBSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421345331 926667768 /nfs/dbraw/zinc/66/77/68/926667768.db2.gz FIDSBNLMVVXVIJ-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421345331 926667778 /nfs/dbraw/zinc/66/77/78/926667778.db2.gz FIDSBNLMVVXVIJ-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421343581 926667964 /nfs/dbraw/zinc/66/79/64/926667964.db2.gz XGZOMTQIQXRCEI-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421343581 926667976 /nfs/dbraw/zinc/66/79/76/926667976.db2.gz XGZOMTQIQXRCEI-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001421346696 926668050 /nfs/dbraw/zinc/66/80/50/926668050.db2.gz LNDRAFJATUOLME-CQSZACIVSA-N 1 1 315.370 -1.562 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001421346696 926668061 /nfs/dbraw/zinc/66/80/61/926668061.db2.gz LNDRAFJATUOLME-CQSZACIVSA-N 1 1 315.370 -1.562 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421340481 926668182 /nfs/dbraw/zinc/66/81/82/926668182.db2.gz OULAZCDNBUTLMH-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421340481 926668191 /nfs/dbraw/zinc/66/81/91/926668191.db2.gz OULAZCDNBUTLMH-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001421346583 926668659 /nfs/dbraw/zinc/66/86/59/926668659.db2.gz HJGUTFNUSLPREG-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001421346583 926668666 /nfs/dbraw/zinc/66/86/66/926668666.db2.gz HJGUTFNUSLPREG-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348105 926669016 /nfs/dbraw/zinc/66/90/16/926669016.db2.gz KFAGDOLVLBSNMH-ZDUSSCGKSA-N 1 1 312.374 -1.349 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421342926 926669234 /nfs/dbraw/zinc/66/92/34/926669234.db2.gz VNWSOJYGKIOHRL-WFASDCNBSA-N 1 1 323.397 -1.221 20 0 DAADMO O=C(COCC1CC1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421339704 926669556 /nfs/dbraw/zinc/66/95/56/926669556.db2.gz OZTQIJZLBFTJBB-DOMZBBRYSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(COCC1CC1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421339704 926669566 /nfs/dbraw/zinc/66/95/66/926669566.db2.gz OZTQIJZLBFTJBB-DOMZBBRYSA-N 1 1 311.382 -1.146 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421345336 926669587 /nfs/dbraw/zinc/66/95/87/926669587.db2.gz FIDSBNLMVVXVIJ-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421345336 926669594 /nfs/dbraw/zinc/66/95/94/926669594.db2.gz FIDSBNLMVVXVIJ-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001421342170 926669642 /nfs/dbraw/zinc/66/96/42/926669642.db2.gz PTOHAZFIWPANSU-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001421342170 926669652 /nfs/dbraw/zinc/66/96/52/926669652.db2.gz PTOHAZFIWPANSU-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(CCn1cncn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421346405 926669799 /nfs/dbraw/zinc/66/97/99/926669799.db2.gz ZSEUAICJRPJSST-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1cncn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421346405 926669809 /nfs/dbraw/zinc/66/98/09/926669809.db2.gz ZSEUAICJRPJSST-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348440 926670345 /nfs/dbraw/zinc/67/03/45/926670345.db2.gz KJWONLQFONMZMB-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348440 926670350 /nfs/dbraw/zinc/67/03/50/926670350.db2.gz KJWONLQFONMZMB-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421340489 926670444 /nfs/dbraw/zinc/67/04/44/926670444.db2.gz OULAZCDNBUTLMH-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421340489 926670452 /nfs/dbraw/zinc/67/04/52/926670452.db2.gz OULAZCDNBUTLMH-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421348943 926670502 /nfs/dbraw/zinc/67/05/02/926670502.db2.gz NEXYUDJNPKPKNU-BXUZGUMPSA-N 1 1 317.386 -1.975 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421343594 926670521 /nfs/dbraw/zinc/67/05/21/926670521.db2.gz XGZOMTQIQXRCEI-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421343594 926670529 /nfs/dbraw/zinc/67/05/29/926670529.db2.gz XGZOMTQIQXRCEI-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354965 926671801 /nfs/dbraw/zinc/67/18/01/926671801.db2.gz YZQCTKKBSGLQBS-IAQYHMDHSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354965 926671806 /nfs/dbraw/zinc/67/18/06/926671806.db2.gz YZQCTKKBSGLQBS-IAQYHMDHSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354988 926672314 /nfs/dbraw/zinc/67/23/14/926672314.db2.gz YZQCTKKBSGLQBS-XHDPSFHLSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354988 926672324 /nfs/dbraw/zinc/67/23/24/926672324.db2.gz YZQCTKKBSGLQBS-XHDPSFHLSA-N 1 1 321.381 -1.164 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001421355599 926672366 /nfs/dbraw/zinc/67/23/66/926672366.db2.gz HVCZJJRJCVXAOA-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001421355599 926672373 /nfs/dbraw/zinc/67/23/73/926672373.db2.gz HVCZJJRJCVXAOA-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001421358471 926672475 /nfs/dbraw/zinc/67/24/75/926672475.db2.gz IGXUHAZWDFZALZ-CQSZACIVSA-N 1 1 323.353 -1.935 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001421358471 926672482 /nfs/dbraw/zinc/67/24/82/926672482.db2.gz IGXUHAZWDFZALZ-CQSZACIVSA-N 1 1 323.353 -1.935 20 0 DAADMO CC[N@@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)CCOC)C1 ZINC001421357051 926672496 /nfs/dbraw/zinc/67/24/96/926672496.db2.gz FFYMURLUIGZLBK-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)CCOC)C1 ZINC001421357051 926672502 /nfs/dbraw/zinc/67/25/02/926672502.db2.gz FFYMURLUIGZLBK-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001421353002 926672679 /nfs/dbraw/zinc/67/26/79/926672679.db2.gz XXHCFIXOMCUJQP-YMTOWFKASA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001421353002 926672681 /nfs/dbraw/zinc/67/26/81/926672681.db2.gz XXHCFIXOMCUJQP-YMTOWFKASA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356537 926672774 /nfs/dbraw/zinc/67/27/74/926672774.db2.gz PNKGUJUCLIDZMB-SMDDNHRTSA-N 1 1 324.385 -1.520 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356537 926672781 /nfs/dbraw/zinc/67/27/81/926672781.db2.gz PNKGUJUCLIDZMB-SMDDNHRTSA-N 1 1 324.385 -1.520 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001421357644 926672814 /nfs/dbraw/zinc/67/28/14/926672814.db2.gz ORISGCWMBCXAEA-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001421352919 926672850 /nfs/dbraw/zinc/67/28/50/926672850.db2.gz SMBPZQZRHFELRA-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001421352919 926672856 /nfs/dbraw/zinc/67/28/56/926672856.db2.gz SMBPZQZRHFELRA-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001421355038 926672875 /nfs/dbraw/zinc/67/28/75/926672875.db2.gz ZFBMXZREENMKRF-ZWNOBZJWSA-N 1 1 318.374 -2.524 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001421352925 926672904 /nfs/dbraw/zinc/67/29/04/926672904.db2.gz SMBPZQZRHFELRA-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001421352925 926672913 /nfs/dbraw/zinc/67/29/13/926672913.db2.gz SMBPZQZRHFELRA-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001421351467 926672931 /nfs/dbraw/zinc/67/29/31/926672931.db2.gz RKNRMCNCBCMRPB-AWEZNQCLSA-N 1 1 317.386 -1.973 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001421356151 926673011 /nfs/dbraw/zinc/67/30/11/926673011.db2.gz CTHSPKFKOGZCMW-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001421356151 926673016 /nfs/dbraw/zinc/67/30/16/926673016.db2.gz CTHSPKFKOGZCMW-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001421353295 926673697 /nfs/dbraw/zinc/67/36/97/926673697.db2.gz FXDLXSPNBQGCJA-ZWNOBZJWSA-N 1 1 310.358 -1.754 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356533 926674174 /nfs/dbraw/zinc/67/41/74/926674174.db2.gz PNKGUJUCLIDZMB-FZMZJTMJSA-N 1 1 324.385 -1.520 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356533 926674181 /nfs/dbraw/zinc/67/41/81/926674181.db2.gz PNKGUJUCLIDZMB-FZMZJTMJSA-N 1 1 324.385 -1.520 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001421365741 926675441 /nfs/dbraw/zinc/67/54/41/926675441.db2.gz YGVYFCQSTYBEJT-TZMCWYRMSA-N 1 1 312.370 -1.488 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001421369486 926675503 /nfs/dbraw/zinc/67/55/03/926675503.db2.gz ASNTWNVVLWFGMX-CQSZACIVSA-N 1 1 309.370 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001421369486 926675505 /nfs/dbraw/zinc/67/55/05/926675505.db2.gz ASNTWNVVLWFGMX-CQSZACIVSA-N 1 1 309.370 -1.061 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001421362568 926675548 /nfs/dbraw/zinc/67/55/48/926675548.db2.gz XBTHJDOMCAGEJX-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001421362568 926675553 /nfs/dbraw/zinc/67/55/53/926675553.db2.gz XBTHJDOMCAGEJX-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368467 926675751 /nfs/dbraw/zinc/67/57/51/926675751.db2.gz ZCCZLSBUAMXGNN-MFKMUULPSA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368467 926675762 /nfs/dbraw/zinc/67/57/62/926675762.db2.gz ZCCZLSBUAMXGNN-MFKMUULPSA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368463 926676510 /nfs/dbraw/zinc/67/65/10/926676510.db2.gz ZCCZLSBUAMXGNN-GXFFZTMASA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368463 926676519 /nfs/dbraw/zinc/67/65/19/926676519.db2.gz ZCCZLSBUAMXGNN-GXFFZTMASA-N 1 1 320.411 -1.645 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001421369125 926676694 /nfs/dbraw/zinc/67/66/94/926676694.db2.gz IVBCRLGZXLYIOM-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001421360228 926676995 /nfs/dbraw/zinc/67/69/95/926676995.db2.gz MNHMRSKFKORILJ-RISCZKNCSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001421360228 926677006 /nfs/dbraw/zinc/67/70/06/926677006.db2.gz MNHMRSKFKORILJ-RISCZKNCSA-N 1 1 322.369 -1.788 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(COC)CC2)C1 ZINC001421359576 926677186 /nfs/dbraw/zinc/67/71/86/926677186.db2.gz HOYZVOJDJILKIR-SWLSCSKDSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncc(OC)cn2)C1 ZINC001421362648 926677509 /nfs/dbraw/zinc/67/75/09/926677509.db2.gz MTFMWMTYFDCVGK-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncc(OC)cn2)C1 ZINC001421362648 926677517 /nfs/dbraw/zinc/67/75/17/926677517.db2.gz MTFMWMTYFDCVGK-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001421363401 926677565 /nfs/dbraw/zinc/67/75/65/926677565.db2.gz PVDIAVZQALRATP-YMTOWFKASA-N 1 1 320.353 -1.100 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421378776 926678401 /nfs/dbraw/zinc/67/84/01/926678401.db2.gz QVCGIKRAFYEUSK-QMTHXVAHSA-N 1 1 310.354 -1.029 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001421373022 926679635 /nfs/dbraw/zinc/67/96/35/926679635.db2.gz JUNSXWTWYKWGAG-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001421373022 926679644 /nfs/dbraw/zinc/67/96/44/926679644.db2.gz JUNSXWTWYKWGAG-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001421373029 926680304 /nfs/dbraw/zinc/68/03/04/926680304.db2.gz JUNSXWTWYKWGAG-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001421373029 926680315 /nfs/dbraw/zinc/68/03/15/926680315.db2.gz JUNSXWTWYKWGAG-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421378780 926680850 /nfs/dbraw/zinc/68/08/50/926680850.db2.gz QVCGIKRAFYEUSK-YGRLFVJLSA-N 1 1 310.354 -1.029 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c(C)nn1C ZINC001421376605 926680987 /nfs/dbraw/zinc/68/09/87/926680987.db2.gz DAWSFDJOTPQMNK-CQSZACIVSA-N 1 1 312.370 -1.104 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC001421381923 926681006 /nfs/dbraw/zinc/68/10/06/926681006.db2.gz OZCQOZWWPQWSFB-DMEJVMROSA-N 1 1 323.393 -1.336 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC001421381923 926681012 /nfs/dbraw/zinc/68/10/12/926681012.db2.gz OZCQOZWWPQWSFB-DMEJVMROSA-N 1 1 323.393 -1.336 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001421374009 926681283 /nfs/dbraw/zinc/68/12/83/926681283.db2.gz MPKUPFCSIYFKIZ-CQSZACIVSA-N 1 1 307.354 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001421374009 926681289 /nfs/dbraw/zinc/68/12/89/926681289.db2.gz MPKUPFCSIYFKIZ-CQSZACIVSA-N 1 1 307.354 -1.061 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001421389364 926682501 /nfs/dbraw/zinc/68/25/01/926682501.db2.gz VJKZSIQIGYNFEL-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1noc(C)c1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421387417 926683853 /nfs/dbraw/zinc/68/38/53/926683853.db2.gz DJLDTKLDUFDOHL-CQSZACIVSA-N 1 1 310.354 -1.128 20 0 DAADMO Cc1noc(C)c1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421387417 926683866 /nfs/dbraw/zinc/68/38/66/926683866.db2.gz DJLDTKLDUFDOHL-CQSZACIVSA-N 1 1 310.354 -1.128 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001421388379 926684582 /nfs/dbraw/zinc/68/45/82/926684582.db2.gz HVICEEALLFCXCA-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001421393169 926684696 /nfs/dbraw/zinc/68/46/96/926684696.db2.gz MMQCNTXKSYXGQS-HNNXBMFYSA-N 1 1 313.398 -1.210 20 0 DAADMO COc1cccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001421383958 926685340 /nfs/dbraw/zinc/68/53/40/926685340.db2.gz NEUWXFGHMPOBSD-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001421383958 926685348 /nfs/dbraw/zinc/68/53/48/926685348.db2.gz NEUWXFGHMPOBSD-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421398865 926686397 /nfs/dbraw/zinc/68/63/97/926686397.db2.gz SXWMEAFNIUQGBN-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421398865 926686406 /nfs/dbraw/zinc/68/64/06/926686406.db2.gz SXWMEAFNIUQGBN-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395189 926686716 /nfs/dbraw/zinc/68/67/16/926686716.db2.gz QESKVYHYRNBVAN-IAQYHMDHSA-N 1 1 322.365 -1.725 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395189 926686724 /nfs/dbraw/zinc/68/67/24/926686724.db2.gz QESKVYHYRNBVAN-IAQYHMDHSA-N 1 1 322.365 -1.725 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3ncccn3n2)C1 ZINC001421399778 926686806 /nfs/dbraw/zinc/68/68/06/926686806.db2.gz VDVWJXLOTMLPPL-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3ncccn3n2)C1 ZINC001421399778 926686811 /nfs/dbraw/zinc/68/68/11/926686811.db2.gz VDVWJXLOTMLPPL-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001421400757 926687340 /nfs/dbraw/zinc/68/73/40/926687340.db2.gz WQDKLXFGQUAZBH-HZMBPMFUSA-N 1 1 307.354 -1.093 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001421400770 926688304 /nfs/dbraw/zinc/68/83/04/926688304.db2.gz WQDKLXFGQUAZBH-QMTHXVAHSA-N 1 1 307.354 -1.093 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421396820 926688330 /nfs/dbraw/zinc/68/83/30/926688330.db2.gz SMXGWUUPLJCMDI-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421396813 926688604 /nfs/dbraw/zinc/68/86/04/926688604.db2.gz SMXGWUUPLJCMDI-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001421395590 926688705 /nfs/dbraw/zinc/68/87/05/926688705.db2.gz VOUVESDMTMECJU-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405941 926690217 /nfs/dbraw/zinc/69/02/17/926690217.db2.gz HKXDQRHCPALQDG-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405941 926690225 /nfs/dbraw/zinc/69/02/25/926690225.db2.gz HKXDQRHCPALQDG-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)c1 ZINC001421411403 926691407 /nfs/dbraw/zinc/69/14/07/926691407.db2.gz LPTQMAKOJFYDFW-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)c1 ZINC001421411403 926691417 /nfs/dbraw/zinc/69/14/17/926691417.db2.gz LPTQMAKOJFYDFW-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421414800 926692253 /nfs/dbraw/zinc/69/22/53/926692253.db2.gz ARBNUQVOWUZUMZ-RYUDHWBXSA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421414779 926692347 /nfs/dbraw/zinc/69/23/47/926692347.db2.gz APLGCPZHLYMHAA-NWDGAFQWSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)NC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421416052 926692924 /nfs/dbraw/zinc/69/29/24/926692924.db2.gz FNFZQVPWTDTQEJ-GFCCVEGCSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421412381 926693434 /nfs/dbraw/zinc/69/34/34/926693434.db2.gz NKZFZGWBOZKLDP-XHDPSFHLSA-N 1 1 323.397 -1.350 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001421414164 926693477 /nfs/dbraw/zinc/69/34/77/926693477.db2.gz BKGPMSLWOICUAI-CHWSQXEVSA-N 1 1 314.382 -1.009 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001421417554 926694773 /nfs/dbraw/zinc/69/47/73/926694773.db2.gz LLLCYZPLLHVVSE-LBPRGKRZSA-N 1 1 308.386 -1.428 20 0 DAADMO CNC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001421439313 926701890 /nfs/dbraw/zinc/70/18/90/926701890.db2.gz FNFZMQMWIYVZFZ-NSHDSACASA-N 1 1 314.386 -1.353 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001421440038 926701946 /nfs/dbraw/zinc/70/19/46/926701946.db2.gz HGNIMTAELWVWPA-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001421439285 926702064 /nfs/dbraw/zinc/70/20/64/926702064.db2.gz QJYCPCUUAQEKET-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001421443063 926702341 /nfs/dbraw/zinc/70/23/41/926702341.db2.gz PGVXMQFYNIPORU-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001421443069 926703029 /nfs/dbraw/zinc/70/30/29/926703029.db2.gz PGVXMQFYNIPORU-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001421446776 926705186 /nfs/dbraw/zinc/70/51/86/926705186.db2.gz RXRDBWSAHXDKSZ-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421486448 926715571 /nfs/dbraw/zinc/71/55/71/926715571.db2.gz TXSVIAIFBGHDDA-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CC[C@H](CNC(=O)[C@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001421490117 926716971 /nfs/dbraw/zinc/71/69/71/926716971.db2.gz NODGYRBXALLLCV-VXGBXAGGSA-N 1 1 300.403 -1.076 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001421492571 926717233 /nfs/dbraw/zinc/71/72/33/926717233.db2.gz ROCPULMQVCBMNH-RYUDHWBXSA-N 1 1 310.398 -1.620 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001421492792 926718163 /nfs/dbraw/zinc/71/81/63/926718163.db2.gz GNTUQJMSMFDFLO-UHFFFAOYSA-N 1 1 307.416 -1.303 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001421490250 926718328 /nfs/dbraw/zinc/71/83/28/926718328.db2.gz CXKIVSSHKBYAMV-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421497630 926718964 /nfs/dbraw/zinc/71/89/64/926718964.db2.gz QQFWVMRSJLZAMT-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO CN(C(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001421500398 926718988 /nfs/dbraw/zinc/71/89/88/926718988.db2.gz QRIWCYJWSGSVLZ-GFCCVEGCSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[C@H](C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1)OC ZINC001421499458 926719754 /nfs/dbraw/zinc/71/97/54/926719754.db2.gz AIKSXMDBQNADFA-LLVKDONJSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001421497626 926720665 /nfs/dbraw/zinc/72/06/65/926720665.db2.gz QQFWVMRSJLZAMT-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2nnn(C)n2)C1 ZINC001421508485 926721659 /nfs/dbraw/zinc/72/16/59/926721659.db2.gz ZGUILPWGSXTWBS-UHFFFAOYSA-N 1 1 320.357 -1.922 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1cn(C)nn1 ZINC001421508301 926722363 /nfs/dbraw/zinc/72/23/63/926722363.db2.gz WIRDTGBDDQHKOX-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)S(C)(=O)=O ZINC001421513229 926722681 /nfs/dbraw/zinc/72/26/81/926722681.db2.gz LURXBVOXUUJYOT-TUAOUCFPSA-N 1 1 319.427 -1.161 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001421562210 926725535 /nfs/dbraw/zinc/72/55/35/926725535.db2.gz NZRCZFVREOCXPC-YTWAJWBKSA-N 1 1 312.370 -1.005 20 0 DAADMO CC(=O)NCC(=O)NCCN1CCC([NH2+]Cc2cnon2)CC1 ZINC001421576428 926726778 /nfs/dbraw/zinc/72/67/78/926726778.db2.gz RZFYZGSJCARECA-UHFFFAOYSA-N 1 1 324.385 -1.124 20 0 DAADMO COCC(=O)N[C@]1(CO)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001421587396 926727482 /nfs/dbraw/zinc/72/74/82/926727482.db2.gz BXKJOYVSIPKEFH-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001421571564 926727906 /nfs/dbraw/zinc/72/79/06/926727906.db2.gz MNWYWEYEHQNRKF-OCAPTIKFSA-N 1 1 307.314 -1.997 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)C1 ZINC001421570649 926728131 /nfs/dbraw/zinc/72/81/31/926728131.db2.gz WLJOYXIJRCKWIG-WYUUTHIRSA-N 1 1 324.381 -1.004 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2C1 ZINC001421562921 926728192 /nfs/dbraw/zinc/72/81/92/926728192.db2.gz PKCAIEIIYFKFJO-BETUJISGSA-N 1 1 322.409 -1.009 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001421589493 926728368 /nfs/dbraw/zinc/72/83/68/926728368.db2.gz AWAZXRPLPJGOSU-RISCZKNCSA-N 1 1 300.355 -1.125 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1COCCO1 ZINC001421593299 926729467 /nfs/dbraw/zinc/72/94/67/926729467.db2.gz BPJWYXCYWLACDZ-GXTWGEPZSA-N 1 1 302.371 -1.273 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1cn2c(n1)COCC2 ZINC001421605690 926729658 /nfs/dbraw/zinc/72/96/58/926729658.db2.gz BVFUARALUNFFPM-OAHLLOKOSA-N 1 1 324.381 -1.038 20 0 DAADMO CN(CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)C(=O)C1CC1 ZINC001421605782 926729823 /nfs/dbraw/zinc/72/98/23/926729823.db2.gz BXPGXKRQLAWCRI-OAHLLOKOSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1COCCO1 ZINC001421593304 926730505 /nfs/dbraw/zinc/73/05/05/926730505.db2.gz BPJWYXCYWLACDZ-TZMCWYRMSA-N 1 1 302.371 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCCN(CC(N)=O)C1 ZINC001421605934 926730660 /nfs/dbraw/zinc/73/06/60/926730660.db2.gz AFPVZBNDBAKEET-CQSZACIVSA-N 1 1 309.370 -1.380 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421620102 926733163 /nfs/dbraw/zinc/73/31/63/926733163.db2.gz OQCWDBIMTGEOHB-HZMBPMFUSA-N 1 1 310.354 -1.293 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001421616583 926733328 /nfs/dbraw/zinc/73/33/28/926733328.db2.gz TWGDFOCXXPUJNT-AWEZNQCLSA-N 1 1 317.386 -1.926 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421616343 926733890 /nfs/dbraw/zinc/73/38/90/926733890.db2.gz SKBIDSPKMUTGSD-OAHLLOKOSA-N 1 1 312.414 -1.277 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CN2CCCC2)C1=O ZINC001421640523 926739788 /nfs/dbraw/zinc/73/97/88/926739788.db2.gz CDSQXFVASVJTKH-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CC[NH2+][C@H](C)c1nnnn1C ZINC001421640562 926739973 /nfs/dbraw/zinc/73/99/73/926739973.db2.gz KKFSMPBRQZZOCY-NXEZZACHSA-N 1 1 300.363 -1.284 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CC[NH2+][C@H](C)c1nnnn1C ZINC001421640592 926740416 /nfs/dbraw/zinc/74/04/16/926740416.db2.gz KKFSMPBRQZZOCY-ZJUUUORDSA-N 1 1 300.363 -1.284 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)n1 ZINC001421681825 926742312 /nfs/dbraw/zinc/74/23/12/926742312.db2.gz FUXXKIDASDUSGX-NSHDSACASA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2COCC[N@H+]2CC2CC2)n1 ZINC001421681825 926742324 /nfs/dbraw/zinc/74/23/24/926742324.db2.gz FUXXKIDASDUSGX-NSHDSACASA-N 1 1 322.369 -1.396 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C ZINC001421674081 926742757 /nfs/dbraw/zinc/74/27/57/926742757.db2.gz IYOCKWOHJHLXGG-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421701439 926744965 /nfs/dbraw/zinc/74/49/65/926744965.db2.gz OSEITBTVTGQONV-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421701441 926745227 /nfs/dbraw/zinc/74/52/27/926745227.db2.gz OSEITBTVTGQONV-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)o1 ZINC001421690155 926745923 /nfs/dbraw/zinc/74/59/23/926745923.db2.gz LPRBCQKPAWWWNW-QMMMGPOBSA-N 1 1 308.346 -1.014 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001421714797 926746630 /nfs/dbraw/zinc/74/66/30/926746630.db2.gz MSQONQOGTFIOPH-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001421702345 926746690 /nfs/dbraw/zinc/74/66/90/926746690.db2.gz AJDGEZJISCSTSP-GHMZBOCLSA-N 1 1 324.385 -1.087 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001421711834 926747962 /nfs/dbraw/zinc/74/79/62/926747962.db2.gz RZBGNSLMHIYMNF-NSHDSACASA-N 1 1 320.415 -1.733 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001421711834 926747971 /nfs/dbraw/zinc/74/79/71/926747971.db2.gz RZBGNSLMHIYMNF-NSHDSACASA-N 1 1 320.415 -1.733 20 0 DAADMO Cc1noc(C[NH2+]C[C@H](C)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001421725730 926749375 /nfs/dbraw/zinc/74/93/75/926749375.db2.gz ZJEZYHQFVUKQSH-JTQLQIEISA-N 1 1 324.385 -1.348 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1nnn(C)n1 ZINC001421738230 926750101 /nfs/dbraw/zinc/75/01/01/926750101.db2.gz XJINKTMOCVXDFV-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CCC2)nn1 ZINC001421725037 926750796 /nfs/dbraw/zinc/75/07/96/926750796.db2.gz WQROCIFTCWDDBS-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001421792844 926758326 /nfs/dbraw/zinc/75/83/26/926758326.db2.gz PUEFSUBZSPBITC-VIFPVBQESA-N 1 1 307.358 -1.383 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809411 926761373 /nfs/dbraw/zinc/76/13/73/926761373.db2.gz QUKVHDNIHKKDRO-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809411 926761381 /nfs/dbraw/zinc/76/13/81/926761381.db2.gz QUKVHDNIHKKDRO-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001421803583 926761441 /nfs/dbraw/zinc/76/14/41/926761441.db2.gz GEHFYENXENPYHW-WDEREUQCSA-N 1 1 324.385 -1.356 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)Cn1ncnn1 ZINC001421855883 926766063 /nfs/dbraw/zinc/76/60/63/926766063.db2.gz DEMGLGWFNSDBKH-NSHDSACASA-N 1 1 311.390 -1.070 20 0 DAADMO CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001421854345 926766104 /nfs/dbraw/zinc/76/61/04/926766104.db2.gz PVQVOVUKLXQEJW-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001421873006 926766837 /nfs/dbraw/zinc/76/68/37/926766837.db2.gz HEOUDFNEEZKZOQ-UHFFFAOYSA-N 1 1 319.387 -1.557 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001421876308 926766900 /nfs/dbraw/zinc/76/69/00/926766900.db2.gz RVYNXNGGCASFHW-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)O2 ZINC001421922447 926773114 /nfs/dbraw/zinc/77/31/14/926773114.db2.gz XGICWUMFLKBNRU-SNVBAGLBSA-N 1 1 322.369 -1.254 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1COC2(CN(CCO)C2)C1 ZINC001421930929 926773348 /nfs/dbraw/zinc/77/33/48/926773348.db2.gz NYDGPBIBKKSJLD-ZDUSSCGKSA-N 1 1 313.398 -1.340 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001421918564 926773480 /nfs/dbraw/zinc/77/34/80/926773480.db2.gz SGSMEZIUBFSLQB-NWDGAFQWSA-N 1 1 310.354 -1.002 20 0 DAADMO NC(=O)CN[C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001421974980 926779441 /nfs/dbraw/zinc/77/94/41/926779441.db2.gz ZPRNDCWAVXWDDT-CZUORRHYSA-N 1 1 324.425 -1.243 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001422000067 926781964 /nfs/dbraw/zinc/78/19/64/926781964.db2.gz GVZBWKIYOCRYNC-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C[C@H]1C(N)=O ZINC001422050674 926784567 /nfs/dbraw/zinc/78/45/67/926784567.db2.gz NNXOGOOJTCXFAZ-DNJQJEMRSA-N 1 1 301.343 -2.593 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001422034742 926784594 /nfs/dbraw/zinc/78/45/94/926784594.db2.gz SEQSXLPKSBAXFN-KOLCDFICSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC001422082262 926785870 /nfs/dbraw/zinc/78/58/70/926785870.db2.gz KUPZJUQMYSUBQV-UHFFFAOYSA-N 1 1 311.430 -1.360 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001422085328 926787276 /nfs/dbraw/zinc/78/72/76/926787276.db2.gz QFUOZZQYGFOBMD-GFCCVEGCSA-N 1 1 324.385 -1.746 20 0 DAADMO CCNC(=O)CCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001422080178 926787529 /nfs/dbraw/zinc/78/75/29/926787529.db2.gz FPOTZMYAASTKPA-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1)C(=O)C1CC1 ZINC001422084444 926787700 /nfs/dbraw/zinc/78/77/00/926787700.db2.gz UXJHWRCUUMMORK-UHFFFAOYSA-N 1 1 324.425 -1.325 20 0 DAADMO CC(C)[C@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001422091908 926787724 /nfs/dbraw/zinc/78/77/24/926787724.db2.gz FNDMRXMIVZQSSS-MNOVXSKESA-N 1 1 323.401 -1.033 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)C(C)(C)O)CC1 ZINC001422142885 926791199 /nfs/dbraw/zinc/79/11/99/926791199.db2.gz KUTVUFMRHXDQLP-GFCCVEGCSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001422143443 926793090 /nfs/dbraw/zinc/79/30/90/926793090.db2.gz KXCSQOFGYMHVDX-UHFFFAOYSA-N 1 1 315.374 -1.690 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001422143443 926793095 /nfs/dbraw/zinc/79/30/95/926793095.db2.gz KXCSQOFGYMHVDX-UHFFFAOYSA-N 1 1 315.374 -1.690 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001422162894 926793371 /nfs/dbraw/zinc/79/33/71/926793371.db2.gz RBFLCKOPOQWWQT-NSHDSACASA-N 1 1 324.447 -1.504 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001422173387 926794174 /nfs/dbraw/zinc/79/41/74/926794174.db2.gz ILKWTHGMAROXIW-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001422173387 926794184 /nfs/dbraw/zinc/79/41/84/926794184.db2.gz ILKWTHGMAROXIW-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001422163910 926794571 /nfs/dbraw/zinc/79/45/71/926794571.db2.gz YFNGVXLYEJFDFV-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001422163910 926794581 /nfs/dbraw/zinc/79/45/81/926794581.db2.gz YFNGVXLYEJFDFV-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001422162888 926794631 /nfs/dbraw/zinc/79/46/31/926794631.db2.gz RBFLCKOPOQWWQT-LLVKDONJSA-N 1 1 324.447 -1.504 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ncn(C)c1=O ZINC001422181444 926795960 /nfs/dbraw/zinc/79/59/60/926795960.db2.gz FPJIZZQXMNOWSW-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ncn(C)c1=O ZINC001422181444 926795975 /nfs/dbraw/zinc/79/59/75/926795975.db2.gz FPJIZZQXMNOWSW-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001422180224 926796197 /nfs/dbraw/zinc/79/61/97/926796197.db2.gz AREFEPXVUHSMAW-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001422180224 926796203 /nfs/dbraw/zinc/79/62/03/926796203.db2.gz AREFEPXVUHSMAW-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC001422184036 926796575 /nfs/dbraw/zinc/79/65/75/926796575.db2.gz IGGGUCRHTJNBLC-NSHDSACASA-N 1 1 314.386 -1.271 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001422183834 926797932 /nfs/dbraw/zinc/79/79/32/926797932.db2.gz VBQFXMHBHJXCQW-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1ccncn1 ZINC001422193753 926799165 /nfs/dbraw/zinc/79/91/65/926799165.db2.gz RZILFCOFCIOKCX-LBPRGKRZSA-N 1 1 319.365 -1.078 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001422195981 926799912 /nfs/dbraw/zinc/79/99/12/926799912.db2.gz WEFVQMGTSFREOM-UHFFFAOYSA-N 1 1 301.343 -1.368 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001422252968 926802798 /nfs/dbraw/zinc/80/27/98/926802798.db2.gz FVOLROSTWSCAEO-MNOVXSKESA-N 1 1 322.406 -1.068 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001422229039 926802953 /nfs/dbraw/zinc/80/29/53/926802953.db2.gz GBYVHKQUZBUHMF-SNVBAGLBSA-N 1 1 312.374 -1.198 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422240269 926803209 /nfs/dbraw/zinc/80/32/09/926803209.db2.gz XHPMVABAALFPFI-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422240269 926803218 /nfs/dbraw/zinc/80/32/18/926803218.db2.gz XHPMVABAALFPFI-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CC1CCOCC1 ZINC001422261417 926803309 /nfs/dbraw/zinc/80/33/09/926803309.db2.gz BHNPFHHDRWUOAS-NSHDSACASA-N 1 1 312.374 -1.407 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](O)COC ZINC001422223718 926803371 /nfs/dbraw/zinc/80/33/71/926803371.db2.gz CYXMVXAWBFNCSX-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001422269275 926806072 /nfs/dbraw/zinc/80/60/72/926806072.db2.gz WBQJWZNSHIRATR-LBPRGKRZSA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC001422287239 926812017 /nfs/dbraw/zinc/81/20/17/926812017.db2.gz LJLRANYYMAZJBK-JTQLQIEISA-N 1 1 320.357 -1.378 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001422284213 926812049 /nfs/dbraw/zinc/81/20/49/926812049.db2.gz FKTUOXLAMGZJKL-MRVPVSSYSA-N 1 1 300.319 -2.262 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)o1 ZINC001422281317 926813308 /nfs/dbraw/zinc/81/33/08/926813308.db2.gz MECUUIBSSHVWLE-GFCCVEGCSA-N 1 1 312.370 -1.118 20 0 DAADMO Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001422289777 926815646 /nfs/dbraw/zinc/81/56/46/926815646.db2.gz SMSHYOMIEWSKAS-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001422288963 926816398 /nfs/dbraw/zinc/81/63/98/926816398.db2.gz QZSTUXFJZDVSML-JTQLQIEISA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)nc1 ZINC001422289189 926816448 /nfs/dbraw/zinc/81/64/48/926816448.db2.gz KZULWHHVMFJEEZ-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001422289903 926816679 /nfs/dbraw/zinc/81/66/79/926816679.db2.gz ZSZOVQDXKAXSCJ-DTWKUNHWSA-N 1 1 300.319 -2.808 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001422288705 926816818 /nfs/dbraw/zinc/81/68/18/926816818.db2.gz PWNWOGQDGAFGNC-UWVGGRQHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001422288708 926817008 /nfs/dbraw/zinc/81/70/08/926817008.db2.gz PWNWOGQDGAFGNC-ZJUUUORDSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)on1 ZINC001422300039 926818533 /nfs/dbraw/zinc/81/85/33/926818533.db2.gz QXTPGMXERJBFEQ-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001422300251 926818692 /nfs/dbraw/zinc/81/86/92/926818692.db2.gz RBNYPYNMVMJXIS-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001422300248 926819172 /nfs/dbraw/zinc/81/91/72/926819172.db2.gz RBNYPYNMVMJXIS-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncccc1O)NC1CC1 ZINC001422299686 926819519 /nfs/dbraw/zinc/81/95/19/926819519.db2.gz POFABPJJOBBAMB-JTQLQIEISA-N 1 1 308.338 -1.254 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccon1 ZINC001422298306 926819572 /nfs/dbraw/zinc/81/95/72/926819572.db2.gz YUTAWXONWWFMTN-VIFPVBQESA-N 1 1 307.314 -1.124 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001422296004 926820176 /nfs/dbraw/zinc/82/01/76/926820176.db2.gz YQWZQLBFODEIKH-ZJUUUORDSA-N 1 1 300.363 -1.237 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2nncn2C)CC[N@H+]1C ZINC001422307470 926822344 /nfs/dbraw/zinc/82/23/44/926822344.db2.gz FBTDWLYVHVOFFX-GRYCIOLGSA-N 1 1 310.402 -1.278 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001422308483 926823008 /nfs/dbraw/zinc/82/30/08/926823008.db2.gz UEIMLTHNPOJLEQ-DTWKUNHWSA-N 1 1 309.374 -1.329 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001422314452 926825348 /nfs/dbraw/zinc/82/53/48/926825348.db2.gz NTDVFZJWNILKTK-GHMZBOCLSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001422313971 926826391 /nfs/dbraw/zinc/82/63/91/926826391.db2.gz FOZPJCUDVIYCJZ-SNVBAGLBSA-N 1 1 315.349 -1.100 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)ncn1 ZINC001422318852 926829418 /nfs/dbraw/zinc/82/94/18/926829418.db2.gz VQSRBNIGVUPHHH-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422330344 926830306 /nfs/dbraw/zinc/83/03/06/926830306.db2.gz MRMANJYFWIJVPG-BDAKNGLRSA-N 1 1 307.372 -1.726 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422330344 926830320 /nfs/dbraw/zinc/83/03/20/926830320.db2.gz MRMANJYFWIJVPG-BDAKNGLRSA-N 1 1 307.372 -1.726 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001422328629 926830898 /nfs/dbraw/zinc/83/08/98/926830898.db2.gz MPJBPRRSFQLTNI-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001422325669 926831714 /nfs/dbraw/zinc/83/17/14/926831714.db2.gz OLZOLCKJSTUMAK-CQSZACIVSA-N 1 1 315.370 -1.955 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422325567 926832235 /nfs/dbraw/zinc/83/22/35/926832235.db2.gz MPQJFNDTBCCIQJ-JGVFFNPUSA-N 1 1 316.387 -1.763 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)c1[nH]nc2c1CCC2 ZINC001422324909 926832574 /nfs/dbraw/zinc/83/25/74/926832574.db2.gz FIGCQUYSIXJPGK-KWQFWETISA-N 1 1 307.354 -1.533 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)[nH]1 ZINC001422335337 926834187 /nfs/dbraw/zinc/83/41/87/926834187.db2.gz BJRLFWCIICZGTG-WDEREUQCSA-N 1 1 324.385 -1.452 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnc[nH]1 ZINC001422333055 926835381 /nfs/dbraw/zinc/83/53/81/926835381.db2.gz XLDMQNSMDRWXDN-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001422335477 926835976 /nfs/dbraw/zinc/83/59/76/926835976.db2.gz XTIJQUPJHDNDDJ-SECBINFHSA-N 1 1 307.314 -1.516 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001422333752 926836155 /nfs/dbraw/zinc/83/61/55/926836155.db2.gz VSTYFVUWAXXSDF-IUCAKERBSA-N 1 1 309.370 -1.287 20 0 DAADMO COc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)co1 ZINC001422338546 926837511 /nfs/dbraw/zinc/83/75/11/926837511.db2.gz FOUDKEWIOUIGCQ-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1=O ZINC001422337382 926837853 /nfs/dbraw/zinc/83/78/53/926837853.db2.gz WHAAXUOXKBYMDE-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001422343338 926842808 /nfs/dbraw/zinc/84/28/08/926842808.db2.gz KLQWBXXZUAAFPC-NXEZZACHSA-N 1 1 311.346 -2.454 20 0 DAADMO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2ccncc2)n1 ZINC001422354444 926847401 /nfs/dbraw/zinc/84/74/01/926847401.db2.gz YNUSWMHDPWCINQ-LLVKDONJSA-N 1 1 318.337 -1.567 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001422359793 926848018 /nfs/dbraw/zinc/84/80/18/926848018.db2.gz XXKFSLMSMWHVGV-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001422355611 926849028 /nfs/dbraw/zinc/84/90/28/926849028.db2.gz TXERJAVZEIZSNN-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2ccncc2)n1 ZINC001422354471 926849080 /nfs/dbraw/zinc/84/90/80/926849080.db2.gz YNUSWMHDPWCINQ-NSHDSACASA-N 1 1 318.337 -1.567 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001422360879 926849252 /nfs/dbraw/zinc/84/92/52/926849252.db2.gz LHQFTXWUIVLRHK-NEPJUHHUSA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C)S(C)(=O)=O ZINC001422358277 926849449 /nfs/dbraw/zinc/84/94/49/926849449.db2.gz YBQOVKDABFVVOP-UWVGGRQHSA-N 1 1 318.399 -1.580 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001422363214 926851286 /nfs/dbraw/zinc/85/12/86/926851286.db2.gz SBYPFHFTPIRPKM-TUAOUCFPSA-N 1 1 324.385 -1.453 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001422378169 926855125 /nfs/dbraw/zinc/85/51/25/926855125.db2.gz VTELEWJBRLTBPQ-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001422380113 926855819 /nfs/dbraw/zinc/85/58/19/926855819.db2.gz YZPYSAQYWCIYKH-LLVKDONJSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001422374867 926856038 /nfs/dbraw/zinc/85/60/38/926856038.db2.gz QUQFGUMTHZXWTA-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001422379140 926856372 /nfs/dbraw/zinc/85/63/72/926856372.db2.gz XSMJGFORXYMUNL-ZYHUDNBSSA-N 1 1 324.385 -1.467 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC001422389927 926860166 /nfs/dbraw/zinc/86/01/66/926860166.db2.gz VUTFGVWOCPTHAZ-LBPRGKRZSA-N 1 1 321.385 -1.009 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001422387385 926860833 /nfs/dbraw/zinc/86/08/33/926860833.db2.gz UGCKQZHSZKWMKO-SNVBAGLBSA-N 1 1 322.373 -1.614 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001422402255 926864074 /nfs/dbraw/zinc/86/40/74/926864074.db2.gz DEFLTOWMDSPKIE-PSASIEDQSA-N 1 1 320.357 -1.250 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001422403211 926865172 /nfs/dbraw/zinc/86/51/72/926865172.db2.gz LGWUZLBXZCYPIZ-YPMHNXCESA-N 1 1 312.414 -1.184 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001422403378 926865608 /nfs/dbraw/zinc/86/56/08/926865608.db2.gz TWMCWCNXONHXQG-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001422403315 926866239 /nfs/dbraw/zinc/86/62/39/926866239.db2.gz LOEPUKKTPJBHGM-CHWSQXEVSA-N 1 1 322.413 -1.072 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1ccnc1)c1nncn1C ZINC001422403443 926868227 /nfs/dbraw/zinc/86/82/27/926868227.db2.gz KJBXWZYGFASBQL-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2ccon2)C1 ZINC001422419890 926868740 /nfs/dbraw/zinc/86/87/40/926868740.db2.gz ZGPKHLLQKHALDR-STQMWFEESA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2ccon2)C1 ZINC001422419890 926868750 /nfs/dbraw/zinc/86/87/50/926868750.db2.gz ZGPKHLLQKHALDR-STQMWFEESA-N 1 1 312.370 -1.038 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001422418649 926869651 /nfs/dbraw/zinc/86/96/51/926869651.db2.gz WPZSBUHDDJMPPY-SECBINFHSA-N 1 1 306.344 -2.210 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001422432338 926872436 /nfs/dbraw/zinc/87/24/36/926872436.db2.gz KFFUFYVUYSGMQG-HTQZYQBOSA-N 1 1 305.360 -1.398 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001422436193 926873930 /nfs/dbraw/zinc/87/39/30/926873930.db2.gz NJPGJZNPGNLSJV-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001422484341 926875439 /nfs/dbraw/zinc/87/54/39/926875439.db2.gz WRPAMCGTPOUXQM-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001422484341 926875451 /nfs/dbraw/zinc/87/54/51/926875451.db2.gz WRPAMCGTPOUXQM-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001422473238 926875748 /nfs/dbraw/zinc/87/57/48/926875748.db2.gz INMKARXJHMIQQO-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001422473238 926875757 /nfs/dbraw/zinc/87/57/57/926875757.db2.gz INMKARXJHMIQQO-MRVPVSSYSA-N 1 1 317.346 -1.766 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001422483302 926877501 /nfs/dbraw/zinc/87/75/01/926877501.db2.gz OWFOJGVWXXOGMY-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001422483302 926877507 /nfs/dbraw/zinc/87/75/07/926877507.db2.gz OWFOJGVWXXOGMY-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001422517194 926879208 /nfs/dbraw/zinc/87/92/08/926879208.db2.gz LRUFXTNZKCMBIR-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422517194 926879223 /nfs/dbraw/zinc/87/92/23/926879223.db2.gz LRUFXTNZKCMBIR-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001422510837 926880277 /nfs/dbraw/zinc/88/02/77/926880277.db2.gz YTQFUKGQBIYFJO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001422510837 926880286 /nfs/dbraw/zinc/88/02/86/926880286.db2.gz YTQFUKGQBIYFJO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001422515098 926880687 /nfs/dbraw/zinc/88/06/87/926880687.db2.gz HEXKOFLUOKFRSM-VIFPVBQESA-N 1 1 323.419 -2.099 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001422515098 926880697 /nfs/dbraw/zinc/88/06/97/926880697.db2.gz HEXKOFLUOKFRSM-VIFPVBQESA-N 1 1 323.419 -2.099 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001422517199 926881167 /nfs/dbraw/zinc/88/11/67/926881167.db2.gz LRUFXTNZKCMBIR-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422517199 926881176 /nfs/dbraw/zinc/88/11/76/926881176.db2.gz LRUFXTNZKCMBIR-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[N@H+](C)CC(=O)N(C)C ZINC001422519791 926881989 /nfs/dbraw/zinc/88/19/89/926881989.db2.gz DDXZFWMMKQVMLN-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)CC(=O)N(C)C ZINC001422519791 926882002 /nfs/dbraw/zinc/88/20/02/926882002.db2.gz DDXZFWMMKQVMLN-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[N@H+](C)CC(N)=O ZINC001422526748 926882743 /nfs/dbraw/zinc/88/27/43/926882743.db2.gz XMKCGECEPNUFRU-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[N@@H+](C)CC(N)=O ZINC001422526748 926882756 /nfs/dbraw/zinc/88/27/56/926882756.db2.gz XMKCGECEPNUFRU-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001422549377 926883557 /nfs/dbraw/zinc/88/35/57/926883557.db2.gz VKCYNGLPYLIRLD-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001422549377 926883570 /nfs/dbraw/zinc/88/35/70/926883570.db2.gz VKCYNGLPYLIRLD-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[N@H+](C)CC(N)=O ZINC001422526746 926884412 /nfs/dbraw/zinc/88/44/12/926884412.db2.gz XMKCGECEPNUFRU-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[N@@H+](C)CC(N)=O ZINC001422526746 926884426 /nfs/dbraw/zinc/88/44/26/926884426.db2.gz XMKCGECEPNUFRU-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@H+](C)[C@@H](C)C(N)=O ZINC001422533675 926884570 /nfs/dbraw/zinc/88/45/70/926884570.db2.gz YXZXQFCQGDEDMS-QWRGUYRKSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422533675 926884575 /nfs/dbraw/zinc/88/45/75/926884575.db2.gz YXZXQFCQGDEDMS-QWRGUYRKSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001422553679 926885214 /nfs/dbraw/zinc/88/52/14/926885214.db2.gz RKZATWBCYIRFAI-ONGXEEELSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001422553674 926885422 /nfs/dbraw/zinc/88/54/22/926885422.db2.gz RKZATWBCYIRFAI-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CCn1cncn1 ZINC001422571955 926886483 /nfs/dbraw/zinc/88/64/83/926886483.db2.gz MPDRHWXSXOWEMO-NSHDSACASA-N 1 1 307.362 -1.209 20 0 DAADMO C[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@H+](C)CC(N)=O ZINC001422593172 926887077 /nfs/dbraw/zinc/88/70/77/926887077.db2.gz ZDQOLDQPXTYDNT-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CC(N)=O ZINC001422593172 926887087 /nfs/dbraw/zinc/88/70/87/926887087.db2.gz ZDQOLDQPXTYDNT-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)Cc1nnc[nH]1 ZINC001422581113 926887187 /nfs/dbraw/zinc/88/71/87/926887187.db2.gz GVOWFYNCVMZENC-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001422597313 926890598 /nfs/dbraw/zinc/89/05/98/926890598.db2.gz FJFUDIGJYGMKFA-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CCn1cccn1 ZINC001422599477 926892062 /nfs/dbraw/zinc/89/20/62/926892062.db2.gz DNCGJHIDYCWGHU-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001422620962 926894243 /nfs/dbraw/zinc/89/42/43/926894243.db2.gz MICPORNUKDJDED-SNVBAGLBSA-N 1 1 300.338 -1.026 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCCNC1=O ZINC001422617897 926894623 /nfs/dbraw/zinc/89/46/23/926894623.db2.gz VVIDONGTRXWLSQ-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422612068 926895121 /nfs/dbraw/zinc/89/51/21/926895121.db2.gz ARUUHVNSCVDVCQ-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001422631258 926897929 /nfs/dbraw/zinc/89/79/29/926897929.db2.gz ANHOHYVZKRBPTA-RYUDHWBXSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(NC1(CCO)C[NH+](CC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001422643726 926900357 /nfs/dbraw/zinc/90/03/57/926900357.db2.gz URPHALQENGHZLZ-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN(CC(=O)N(C)C)C1 ZINC001422643135 926900709 /nfs/dbraw/zinc/90/07/09/926900709.db2.gz AWDUMLLOEYADBO-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001422648819 926902119 /nfs/dbraw/zinc/90/21/19/926902119.db2.gz WNRNDMMEGLKLRL-DOMZBBRYSA-N 1 1 324.425 -1.101 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN([C@H]2CCCNC2=O)C1 ZINC001422648197 926902654 /nfs/dbraw/zinc/90/26/54/926902654.db2.gz LUCBAXVIQULKCZ-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CCO)CN([C@@H](C)C(N)=O)C1 ZINC001422647204 926903710 /nfs/dbraw/zinc/90/37/10/926903710.db2.gz PHNKPXKYEAXAQS-JTQLQIEISA-N 1 1 309.370 -1.382 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001422651115 926903750 /nfs/dbraw/zinc/90/37/50/926903750.db2.gz ATNCLWRNEJLCPD-UHFFFAOYSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CCn1ncn(C)c1=O ZINC001422679549 926905388 /nfs/dbraw/zinc/90/53/88/926905388.db2.gz AAHMUESSPCVPIW-VIFPVBQESA-N 1 1 309.330 -1.351 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001422680149 926906406 /nfs/dbraw/zinc/90/64/06/926906406.db2.gz FMCMHVSLUJAHHW-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccon1)C(N)=O ZINC001422717050 926907666 /nfs/dbraw/zinc/90/76/66/926907666.db2.gz AYZJZTBENJZYAR-KWQFWETISA-N 1 1 311.342 -1.351 20 0 DAADMO C[C@H](CC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1)NC(N)=O ZINC001422726002 926909264 /nfs/dbraw/zinc/90/92/64/926909264.db2.gz JCLLNZNIBNNOSZ-NXEZZACHSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1C[NH+](CC(=O)N(C)C)C1 ZINC001422726015 926909554 /nfs/dbraw/zinc/90/95/54/926909554.db2.gz JCLLNZNIBNNOSZ-VHSXEESVSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001422732620 926911046 /nfs/dbraw/zinc/91/10/46/926911046.db2.gz CVICUJUQZYNGLS-QATXWYEKSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)Cc1nnc[nH]1 ZINC001422730727 926911659 /nfs/dbraw/zinc/91/16/59/926911659.db2.gz GVOWFYNCVMZENC-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422761830 926914453 /nfs/dbraw/zinc/91/44/53/926914453.db2.gz OXZKVKWORDDHEB-SCZZXKLOSA-N 1 1 318.399 -2.139 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422749160 926915445 /nfs/dbraw/zinc/91/54/45/926915445.db2.gz ZXFSYZMYQVTQLI-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001422798864 926916504 /nfs/dbraw/zinc/91/65/04/926916504.db2.gz DKKLZVOKKLVYFW-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001422798864 926916511 /nfs/dbraw/zinc/91/65/11/926916511.db2.gz DKKLZVOKKLVYFW-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001422779810 926916700 /nfs/dbraw/zinc/91/67/00/926916700.db2.gz XWBVWCYYHHCMHX-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001422779810 926916707 /nfs/dbraw/zinc/91/67/07/926916707.db2.gz XWBVWCYYHHCMHX-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001422808354 926916981 /nfs/dbraw/zinc/91/69/81/926916981.db2.gz IKABDJXAYAVATP-XYYAHUGASA-N 1 1 311.382 -1.214 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001422795982 926917017 /nfs/dbraw/zinc/91/70/17/926917017.db2.gz LDEFEKWODHKSNX-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001422795982 926917029 /nfs/dbraw/zinc/91/70/29/926917029.db2.gz LDEFEKWODHKSNX-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001422779226 926917591 /nfs/dbraw/zinc/91/75/91/926917591.db2.gz DKWSLPYWWDDNRE-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001422807491 926917751 /nfs/dbraw/zinc/91/77/51/926917751.db2.gz KOIMIUIUMQVKIK-CNDDSTCGSA-N 1 1 321.385 -1.499 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001422803485 926918142 /nfs/dbraw/zinc/91/81/42/926918142.db2.gz PDLUGSWMLMJUIE-XYYAHUGASA-N 1 1 316.369 -1.136 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001422792678 926918203 /nfs/dbraw/zinc/91/82/03/926918203.db2.gz MKRMMWSBQMNUIW-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001422792678 926918213 /nfs/dbraw/zinc/91/82/13/926918213.db2.gz MKRMMWSBQMNUIW-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC)[C@@H]2C1 ZINC001422805285 926918283 /nfs/dbraw/zinc/91/82/83/926918283.db2.gz FKCIRDFNRDLVTB-CNDDSTCGSA-N 1 1 319.427 -1.134 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cncn3)[C@@H]2C1 ZINC001422814558 926919325 /nfs/dbraw/zinc/91/93/25/926919325.db2.gz NGRADWPVQOOCPG-FIQHERPVSA-N 1 1 306.370 -1.164 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001422827356 926919691 /nfs/dbraw/zinc/91/96/91/926919691.db2.gz IEBDCEBEUJPUMB-LPWJVIDDSA-N 1 1 309.370 -1.421 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830164 926919957 /nfs/dbraw/zinc/91/99/57/926919957.db2.gz PILLLKQOYHPHGR-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830164 926919967 /nfs/dbraw/zinc/91/99/67/926919967.db2.gz PILLLKQOYHPHGR-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820190 926920315 /nfs/dbraw/zinc/92/03/15/926920315.db2.gz AQPAORIVQUCOCP-UWVGGRQHSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820190 926920326 /nfs/dbraw/zinc/92/03/26/926920326.db2.gz AQPAORIVQUCOCP-UWVGGRQHSA-N 1 1 312.374 -1.847 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001422819890 926920353 /nfs/dbraw/zinc/92/03/53/926920353.db2.gz MCMIVJGDWWZQSR-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001422819890 926920369 /nfs/dbraw/zinc/92/03/69/926920369.db2.gz MCMIVJGDWWZQSR-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cccn2nnnc12 ZINC001422827067 926920460 /nfs/dbraw/zinc/92/04/60/926920460.db2.gz XDSOYNCISZNQNM-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccn2nnnc12 ZINC001422827067 926920471 /nfs/dbraw/zinc/92/04/71/926920471.db2.gz XDSOYNCISZNQNM-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001422820067 926920701 /nfs/dbraw/zinc/92/07/01/926920701.db2.gz ACMNGNMMDGUIJB-XYYAHUGASA-N 1 1 318.381 -1.196 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cncn3)[C@@H]2C1 ZINC001422814569 926920744 /nfs/dbraw/zinc/92/07/44/926920744.db2.gz NGRADWPVQOOCPG-KKOKHZNYSA-N 1 1 306.370 -1.164 20 0 DAADMO C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001422841617 926922122 /nfs/dbraw/zinc/92/21/22/926922122.db2.gz NUQWZFDKROITSM-ZVXAKGHKSA-N 1 1 324.381 -1.098 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001422837742 926922268 /nfs/dbraw/zinc/92/22/68/926922268.db2.gz RWOKGEHOGBFUHP-RTCCRHLQSA-N 1 1 311.386 -1.525 20 0 DAADMO CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847913 926922340 /nfs/dbraw/zinc/92/23/40/926922340.db2.gz NBOBWWMWKUXMBJ-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847913 926922344 /nfs/dbraw/zinc/92/23/44/926922344.db2.gz NBOBWWMWKUXMBJ-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC001422851465 926922676 /nfs/dbraw/zinc/92/26/76/926922676.db2.gz GRWKIQVLMCZYNQ-CNDDSTCGSA-N 1 1 306.370 -1.473 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)c1nnn(C)n1 ZINC001422864304 926925113 /nfs/dbraw/zinc/92/51/13/926925113.db2.gz DZTNCWDUDUVUSG-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001422854798 926925320 /nfs/dbraw/zinc/92/53/20/926925320.db2.gz OBKHYDFTHYWJIP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001422854798 926925334 /nfs/dbraw/zinc/92/53/34/926925334.db2.gz OBKHYDFTHYWJIP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001422891254 926927300 /nfs/dbraw/zinc/92/73/00/926927300.db2.gz BHZIAGQSWRBLDX-KYZUINATSA-N 1 1 310.362 -1.877 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001422898592 926928385 /nfs/dbraw/zinc/92/83/85/926928385.db2.gz MEBRYJMZZBBYBB-GUBZILKMSA-N 1 1 309.374 -1.294 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001422921179 926929381 /nfs/dbraw/zinc/92/93/81/926929381.db2.gz ZEFRKMCTMABEOD-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001422921179 926929387 /nfs/dbraw/zinc/92/93/87/926929387.db2.gz ZEFRKMCTMABEOD-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001422923028 926930362 /nfs/dbraw/zinc/93/03/62/926930362.db2.gz JLCTZPPTPAIGSN-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCn1cncn1 ZINC001422925746 926930986 /nfs/dbraw/zinc/93/09/86/926930986.db2.gz OZUDGVAPXPMQDO-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001422923247 926931089 /nfs/dbraw/zinc/93/10/89/926931089.db2.gz LYRQMPGTTOCODL-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001422924175 926931113 /nfs/dbraw/zinc/93/11/13/926931113.db2.gz FHLFANNOAWEEIA-MNOVXSKESA-N 1 1 314.386 -1.219 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932412 926931334 /nfs/dbraw/zinc/93/13/34/926931334.db2.gz ISLDANSKKNPKBY-YUMQZZPRSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932412 926931344 /nfs/dbraw/zinc/93/13/44/926931344.db2.gz ISLDANSKKNPKBY-YUMQZZPRSA-N 1 1 311.342 -1.590 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001422936264 926931399 /nfs/dbraw/zinc/93/13/99/926931399.db2.gz UWNFLZLOGNGXMQ-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955598 926931660 /nfs/dbraw/zinc/93/16/60/926931660.db2.gz UBCJHWDHIKKMQE-NXEZZACHSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955598 926931667 /nfs/dbraw/zinc/93/16/67/926931667.db2.gz UBCJHWDHIKKMQE-NXEZZACHSA-N 1 1 310.358 -1.097 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](NC(=O)Cn2cnnn2)C2CC2)[nH]1 ZINC001422974998 926933098 /nfs/dbraw/zinc/93/30/98/926933098.db2.gz OOWKJJPUNVKVHO-JTQLQIEISA-N 1 1 305.346 -1.216 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001422972550 926933164 /nfs/dbraw/zinc/93/31/64/926933164.db2.gz LLXHOBKSWFAMES-SECBINFHSA-N 1 1 316.387 -1.761 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001422976446 926934425 /nfs/dbraw/zinc/93/44/25/926934425.db2.gz SKNXPSPWPSSVMK-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](NC(=O)Cn2ncnn2)C2CC2)[nH]1 ZINC001423010770 926935129 /nfs/dbraw/zinc/93/51/29/926935129.db2.gz YCWJQCIFUMITDL-SNVBAGLBSA-N 1 1 305.346 -1.216 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001422997951 926935324 /nfs/dbraw/zinc/93/53/24/926935324.db2.gz DGEDROVKTBMRMG-NSHDSACASA-N 1 1 319.373 -1.021 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001423008610 926936133 /nfs/dbraw/zinc/93/61/33/926936133.db2.gz UTASWDMPVBNSID-SECBINFHSA-N 1 1 310.362 -1.877 20 0 DAADMO C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001423009924 926936823 /nfs/dbraw/zinc/93/68/23/926936823.db2.gz WOLGPYHVTGKUNR-SCZZXKLOSA-N 1 1 324.389 -1.359 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001422992650 926936902 /nfs/dbraw/zinc/93/69/02/926936902.db2.gz DZDVKJNPJBTEBZ-OUAUKWLOSA-N 1 1 321.385 -1.342 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001422997427 926937245 /nfs/dbraw/zinc/93/72/45/926937245.db2.gz XSLHLORWOYFOKR-ZJUUUORDSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001423007054 926937354 /nfs/dbraw/zinc/93/73/54/926937354.db2.gz SOGNKGSPTZKTEV-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001423074253 926942951 /nfs/dbraw/zinc/94/29/51/926942951.db2.gz ZDUKXQRIZCVMIJ-VIFPVBQESA-N 1 1 309.374 -1.375 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089274 926945423 /nfs/dbraw/zinc/94/54/23/926945423.db2.gz ROEDZZKNIQPXIO-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089274 926945426 /nfs/dbraw/zinc/94/54/26/926945426.db2.gz ROEDZZKNIQPXIO-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423101906 926946615 /nfs/dbraw/zinc/94/66/15/926946615.db2.gz TYVBNHWUPDSVBE-SNVBAGLBSA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089282 926946724 /nfs/dbraw/zinc/94/67/24/926946724.db2.gz ROEDZZKNIQPXIO-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089282 926946734 /nfs/dbraw/zinc/94/67/34/926946734.db2.gz ROEDZZKNIQPXIO-ZJUUUORDSA-N 1 1 313.358 -2.298 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001423117494 926948523 /nfs/dbraw/zinc/94/85/23/926948523.db2.gz GUOFIJBRKZBQRK-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001423117494 926948533 /nfs/dbraw/zinc/94/85/33/926948533.db2.gz GUOFIJBRKZBQRK-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)COC ZINC001423120952 926949961 /nfs/dbraw/zinc/94/99/61/926949961.db2.gz KSLBKCOENCJPIH-UWVGGRQHSA-N 1 1 308.404 -1.734 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001423132186 926952483 /nfs/dbraw/zinc/95/24/83/926952483.db2.gz VSTJFPSESDGWCH-ZJUUUORDSA-N 1 1 309.374 -1.233 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001423173061 926954681 /nfs/dbraw/zinc/95/46/81/926954681.db2.gz HATZCQXKAKUKDO-LLVKDONJSA-N 1 1 324.337 -1.060 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001423169004 926954693 /nfs/dbraw/zinc/95/46/93/926954693.db2.gz UJFOFMXVPMPIHR-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001423175328 926954736 /nfs/dbraw/zinc/95/47/36/926954736.db2.gz FKQGNOBLADFCBQ-LBPRGKRZSA-N 1 1 310.354 -1.207 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001423169000 926955539 /nfs/dbraw/zinc/95/55/39/926955539.db2.gz UJFOFMXVPMPIHR-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cncn1)[NH2+][C@@H](C)c1nnnn1C ZINC001423181447 926957556 /nfs/dbraw/zinc/95/75/56/926957556.db2.gz ZHKDSLKGICMDQA-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccn[nH]1)N1CCNC(=O)C1 ZINC001423190919 926960039 /nfs/dbraw/zinc/96/00/39/926960039.db2.gz AKWCHFUANHTEOA-SECBINFHSA-N 1 1 324.341 -2.952 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001423193717 926960241 /nfs/dbraw/zinc/96/02/41/926960241.db2.gz KZYGDLNMTSVYSN-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)CN1CCCC1=O ZINC001423189447 926961498 /nfs/dbraw/zinc/96/14/98/926961498.db2.gz FGAQOJUHBLMFIZ-NSHDSACASA-N 1 1 324.385 -1.513 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001423213942 926972730 /nfs/dbraw/zinc/97/27/30/926972730.db2.gz IAZWIZQLYCXNQX-JQWIXIFHSA-N 1 1 310.354 -1.060 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001423213948 926974448 /nfs/dbraw/zinc/97/44/48/926974448.db2.gz IAZWIZQLYCXNQX-ZYHUDNBSSA-N 1 1 310.354 -1.060 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCOC1)Nc1cnccn1 ZINC001423217811 926975305 /nfs/dbraw/zinc/97/53/05/926975305.db2.gz ZAENFHDYRRONOX-WDEREUQCSA-N 1 1 323.353 -1.482 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001423217025 926975455 /nfs/dbraw/zinc/97/54/55/926975455.db2.gz XMWLDSXROHKCRR-SNVBAGLBSA-N 1 1 313.358 -1.131 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CO[C@H]2CCOC2)n1 ZINC001423216218 926975579 /nfs/dbraw/zinc/97/55/79/926975579.db2.gz HNZYXDKJUWMRHJ-STQMWFEESA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2cnn(C)n2)CC[N@H+]1C ZINC001423216937 926976983 /nfs/dbraw/zinc/97/69/83/926976983.db2.gz RGRMTQCJEFKETN-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1csc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)n1 ZINC001423220640 926979377 /nfs/dbraw/zinc/97/93/77/926979377.db2.gz QDBNGCNLRXCIMP-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)n1cncn1 ZINC001423231909 926985709 /nfs/dbraw/zinc/98/57/09/926985709.db2.gz MVCINMHJCBGKIB-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nncc1CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001423230177 926986620 /nfs/dbraw/zinc/98/66/20/926986620.db2.gz MJFDBVQZZWHBMV-WCQYABFASA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001423235380 926989645 /nfs/dbraw/zinc/98/96/45/926989645.db2.gz XTIPAVRUPYMTNM-SNVBAGLBSA-N 1 1 324.341 -1.855 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1)[C@@H]1CNC(=O)N1 ZINC001423256204 926998174 /nfs/dbraw/zinc/99/81/74/926998174.db2.gz JIKOJYLJPDYXIP-QWRGUYRKSA-N 1 1 311.317 -1.531 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001423254984 926999414 /nfs/dbraw/zinc/99/94/14/926999414.db2.gz GWWOJNJXBSWNQN-VHSXEESVSA-N 1 1 324.341 -2.267 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001423260125 927002689 /nfs/dbraw/zinc/00/26/89/927002689.db2.gz QTKNLLFMKNDGMB-OLZOCXBDSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2ncnn2C)C1 ZINC001423259921 927002891 /nfs/dbraw/zinc/00/28/91/927002891.db2.gz HVELQMVXKLCEQW-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423264436 927006200 /nfs/dbraw/zinc/00/62/00/927006200.db2.gz BCGCQGPALCMZMR-STQMWFEESA-N 1 1 311.386 -1.099 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001423267089 927006246 /nfs/dbraw/zinc/00/62/46/927006246.db2.gz WJRHYKZZYOCXJV-JTQLQIEISA-N 1 1 306.330 -1.811 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001423264020 927007015 /nfs/dbraw/zinc/00/70/15/927007015.db2.gz OOHKRMGOQDCECE-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)NC1=O ZINC001423269445 927008225 /nfs/dbraw/zinc/00/82/25/927008225.db2.gz VPEKONZMWAPYJM-WPRPVWTQSA-N 1 1 313.383 -1.267 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001423270783 927008524 /nfs/dbraw/zinc/00/85/24/927008524.db2.gz FLIDJWLRAFIUBR-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001423277441 927011257 /nfs/dbraw/zinc/01/12/57/927011257.db2.gz PQXADNZZSXPAHT-BDAKNGLRSA-N 1 1 313.383 -1.227 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001423290390 927016448 /nfs/dbraw/zinc/01/64/48/927016448.db2.gz FFHJJTZZXIDQJD-DTWKUNHWSA-N 1 1 300.363 -1.583 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001423294016 927017974 /nfs/dbraw/zinc/01/79/74/927017974.db2.gz ZHXGSIWVCNQDPS-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001423299568 927021214 /nfs/dbraw/zinc/02/12/14/927021214.db2.gz DVHUMNJESDMUOF-VIFPVBQESA-N 1 1 320.371 -1.901 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301970 927022175 /nfs/dbraw/zinc/02/21/75/927022175.db2.gz UOKRHVVXEOWACS-AAEUAGOBSA-N 1 1 312.414 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301970 927022191 /nfs/dbraw/zinc/02/21/91/927022191.db2.gz UOKRHVVXEOWACS-AAEUAGOBSA-N 1 1 312.414 -1.327 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001423311283 927024874 /nfs/dbraw/zinc/02/48/74/927024874.db2.gz XLXYHLQREOAZDE-QWHCGFSZSA-N 1 1 322.413 -1.072 20 0 DAADMO CCn1ncnc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423309023 927025706 /nfs/dbraw/zinc/02/57/06/927025706.db2.gz RRFVDWOJSVTGNH-NEPJUHHUSA-N 1 1 310.402 -1.184 20 0 DAADMO C[NH+]1CCC(OCC(=O)NC[C@@H](CO)NCC(N)=O)CC1 ZINC001423312191 927030275 /nfs/dbraw/zinc/03/02/75/927030275.db2.gz ZUJSATUYPBUWBU-JTQLQIEISA-N 1 1 302.375 -2.351 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001423362622 927031310 /nfs/dbraw/zinc/03/13/10/927031310.db2.gz NMAQXDNTDLGWQL-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001423375285 927034649 /nfs/dbraw/zinc/03/46/49/927034649.db2.gz STXUVDMUKUTWOC-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001423374019 927035426 /nfs/dbraw/zinc/03/54/26/927035426.db2.gz HLEWYKWISZBGFS-LBPRGKRZSA-N 1 1 305.400 -1.548 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001423371534 927035670 /nfs/dbraw/zinc/03/56/70/927035670.db2.gz ITPPMHUEIOXUHH-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001423371534 927035686 /nfs/dbraw/zinc/03/56/86/927035686.db2.gz ITPPMHUEIOXUHH-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001423375291 927036865 /nfs/dbraw/zinc/03/68/65/927036865.db2.gz STXUVDMUKUTWOC-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001423411709 927038224 /nfs/dbraw/zinc/03/82/24/927038224.db2.gz RYUDMQBSVQZQKE-JTQLQIEISA-N 1 1 313.358 -1.636 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001423404225 927039152 /nfs/dbraw/zinc/03/91/52/927039152.db2.gz OPDGTGYHOZJFHW-VIFPVBQESA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001423419197 927040100 /nfs/dbraw/zinc/04/01/00/927040100.db2.gz SZEJAGVPQGWWNM-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423415282 927040933 /nfs/dbraw/zinc/04/09/33/927040933.db2.gz HNSOHORZQYIHNV-DTWKUNHWSA-N 1 1 302.404 -1.130 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423415289 927041430 /nfs/dbraw/zinc/04/14/30/927041430.db2.gz HNSOHORZQYIHNV-RKDXNWHRSA-N 1 1 302.404 -1.130 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1ccon1 ZINC001423429488 927044909 /nfs/dbraw/zinc/04/49/09/927044909.db2.gz GBRHMVZZXURJJB-LLVKDONJSA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)n2cncn2)[nH]1 ZINC001423428987 927045665 /nfs/dbraw/zinc/04/56/65/927045665.db2.gz LQMUCFBVIURZOU-GXSJLCMTSA-N 1 1 322.373 -1.125 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001423428009 927045979 /nfs/dbraw/zinc/04/59/79/927045979.db2.gz AVINBMGVURHDHG-JQWIXIFHSA-N 1 1 311.386 -1.162 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001423433441 927047589 /nfs/dbraw/zinc/04/75/89/927047589.db2.gz SIAQMTIZSZSMRV-LLVKDONJSA-N 1 1 324.385 -1.273 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001423432720 927048076 /nfs/dbraw/zinc/04/80/76/927048076.db2.gz SCULNAQNNVGRBW-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001423434888 927049335 /nfs/dbraw/zinc/04/93/35/927049335.db2.gz ZXVVDQGYBCSMJW-JTQLQIEISA-N 1 1 314.346 -1.920 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]c(=O)c2)[nH]1 ZINC001423447939 927054401 /nfs/dbraw/zinc/05/44/01/927054401.db2.gz UONWWPGQIWYFJK-JTQLQIEISA-N 1 1 321.341 -1.169 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CNC(=O)N1 ZINC001423458735 927061328 /nfs/dbraw/zinc/06/13/28/927061328.db2.gz ULNOURNOJGHCDH-JGVFFNPUSA-N 1 1 314.371 -1.872 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C(F)F)[nH]n1 ZINC001423460993 927063924 /nfs/dbraw/zinc/06/39/24/927063924.db2.gz AGZWVFJZOGPBJY-LURJTMIESA-N 1 1 305.285 -1.145 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2ncc[nH]2)[nH]1 ZINC001423474326 927066795 /nfs/dbraw/zinc/06/67/95/927066795.db2.gz CZWUMPSKUMIRPA-JTQLQIEISA-N 1 1 307.358 -1.012 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1n[nH]cc1F ZINC001423477695 927069979 /nfs/dbraw/zinc/06/99/79/927069979.db2.gz UUUVCBNHCOOBSY-SSDOTTSWSA-N 1 1 312.309 -1.705 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)Cc1nnc[nH]1 ZINC001423478151 927071107 /nfs/dbraw/zinc/07/11/07/927071107.db2.gz QBDRDAGFNGNVIW-SNVBAGLBSA-N 1 1 305.342 -1.254 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1cncn1C ZINC001423478788 927071828 /nfs/dbraw/zinc/07/18/28/927071828.db2.gz KYJJZRAJPJXRJY-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1)c1nncn1C ZINC001423483919 927072168 /nfs/dbraw/zinc/07/21/68/927072168.db2.gz KKWKJWVZDVZTFP-UWVGGRQHSA-N 1 1 322.373 -1.273 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)nc1 ZINC001423485181 927072367 /nfs/dbraw/zinc/07/23/67/927072367.db2.gz NTEGPQUGLTZLOX-LBPRGKRZSA-N 1 1 319.369 -1.014 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001423484411 927074140 /nfs/dbraw/zinc/07/41/40/927074140.db2.gz MARGSIYYMZYJNU-JTQLQIEISA-N 1 1 308.346 -1.686 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001423484415 927075315 /nfs/dbraw/zinc/07/53/15/927075315.db2.gz MARGSIYYMZYJNU-SNVBAGLBSA-N 1 1 308.346 -1.686 20 0 DAADMO CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423483049 927075373 /nfs/dbraw/zinc/07/53/73/927075373.db2.gz IWDYVAOACGVERZ-DGCLKSJQSA-N 1 1 310.402 -1.324 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC ZINC001423493568 927076165 /nfs/dbraw/zinc/07/61/65/927076165.db2.gz VWXSKLLWHDEMAT-JTQLQIEISA-N 1 1 302.375 -1.007 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC ZINC001423493568 927076182 /nfs/dbraw/zinc/07/61/82/927076182.db2.gz VWXSKLLWHDEMAT-JTQLQIEISA-N 1 1 302.375 -1.007 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001423497201 927076453 /nfs/dbraw/zinc/07/64/53/927076453.db2.gz AHBWWTDHAHUQPV-VHSXEESVSA-N 1 1 316.358 -2.018 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001423497201 927076472 /nfs/dbraw/zinc/07/64/72/927076472.db2.gz AHBWWTDHAHUQPV-VHSXEESVSA-N 1 1 316.358 -2.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001423500891 927077004 /nfs/dbraw/zinc/07/70/04/927077004.db2.gz DEGTTYZMUVGFQP-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001423500891 927077020 /nfs/dbraw/zinc/07/70/20/927077020.db2.gz DEGTTYZMUVGFQP-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO Cc1ncoc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001423499052 927078867 /nfs/dbraw/zinc/07/88/67/927078867.db2.gz YYEUWQWIWDGHMC-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1ncoc1C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001423499052 927078881 /nfs/dbraw/zinc/07/88/81/927078881.db2.gz YYEUWQWIWDGHMC-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001423495793 927079036 /nfs/dbraw/zinc/07/90/36/927079036.db2.gz LKCNFIJFJJADRG-NSHDSACASA-N 1 1 309.432 -1.057 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001423495793 927079054 /nfs/dbraw/zinc/07/90/54/927079054.db2.gz LKCNFIJFJJADRG-NSHDSACASA-N 1 1 309.432 -1.057 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1ccnc1 ZINC001423493358 927079423 /nfs/dbraw/zinc/07/94/23/927079423.db2.gz VKALMRMLVKQIMZ-LBPRGKRZSA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001423500989 927079596 /nfs/dbraw/zinc/07/95/96/927079596.db2.gz GCUDBXUEOBYWBQ-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001423500989 927079611 /nfs/dbraw/zinc/07/96/11/927079611.db2.gz GCUDBXUEOBYWBQ-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001423500490 927079896 /nfs/dbraw/zinc/07/98/96/927079896.db2.gz AJWPLYTXMHKXEI-BXUZGUMPSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001423500490 927079909 /nfs/dbraw/zinc/07/99/09/927079909.db2.gz AJWPLYTXMHKXEI-BXUZGUMPSA-N 1 1 301.387 -1.226 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496804 927079972 /nfs/dbraw/zinc/07/99/72/927079972.db2.gz QGQTYGMXTKGMED-MNOVXSKESA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496804 927079987 /nfs/dbraw/zinc/07/99/87/927079987.db2.gz QGQTYGMXTKGMED-MNOVXSKESA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001423497274 927080048 /nfs/dbraw/zinc/08/00/48/927080048.db2.gz BMWPUINTNUCDOC-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001423504879 927080755 /nfs/dbraw/zinc/08/07/55/927080755.db2.gz UPYLGKPCLNNDLV-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001423511843 927081806 /nfs/dbraw/zinc/08/18/06/927081806.db2.gz NIDXIXXIUDPNJD-VHSXEESVSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001423503302 927082268 /nfs/dbraw/zinc/08/22/68/927082268.db2.gz LIZYNZGSWIRIOA-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001423510672 927082495 /nfs/dbraw/zinc/08/24/95/927082495.db2.gz LXBURPRBHHEQFU-JTQLQIEISA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001423510672 927082515 /nfs/dbraw/zinc/08/25/15/927082515.db2.gz LXBURPRBHHEQFU-JTQLQIEISA-N 1 1 300.359 -2.251 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001423507880 927082645 /nfs/dbraw/zinc/08/26/45/927082645.db2.gz VHHHARVWWUJBLF-ZDUSSCGKSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001423503305 927083356 /nfs/dbraw/zinc/08/33/56/927083356.db2.gz LIZYNZGSWIRIOA-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001423507651 927084436 /nfs/dbraw/zinc/08/44/36/927084436.db2.gz HORAMFIAJIWFNC-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423503206 927084473 /nfs/dbraw/zinc/08/44/73/927084473.db2.gz IERHFIHWGXZYCJ-DTWKUNHWSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423503206 927084483 /nfs/dbraw/zinc/08/44/83/927084483.db2.gz IERHFIHWGXZYCJ-DTWKUNHWSA-N 1 1 303.363 -2.460 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509240 927084678 /nfs/dbraw/zinc/08/46/78/927084678.db2.gz AAQYMAXKHJYGGC-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423509240 927084694 /nfs/dbraw/zinc/08/46/94/927084694.db2.gz AAQYMAXKHJYGGC-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423518592 927085451 /nfs/dbraw/zinc/08/54/51/927085451.db2.gz QXTXLFWMZLMFGC-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423518592 927085467 /nfs/dbraw/zinc/08/54/67/927085467.db2.gz QXTXLFWMZLMFGC-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423522553 927085500 /nfs/dbraw/zinc/08/55/00/927085500.db2.gz ZFLQHBLLCNTIKT-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423522553 927085516 /nfs/dbraw/zinc/08/55/16/927085516.db2.gz ZFLQHBLLCNTIKT-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001423522467 927085572 /nfs/dbraw/zinc/08/55/72/927085572.db2.gz GRCWASRFVXXRED-UONOGXRCSA-N 1 1 315.414 -1.012 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525932 927085999 /nfs/dbraw/zinc/08/59/99/927085999.db2.gz OJVNBGPPCZUGSI-DTWKUNHWSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525932 927086014 /nfs/dbraw/zinc/08/60/14/927086014.db2.gz OJVNBGPPCZUGSI-DTWKUNHWSA-N 1 1 313.358 -1.636 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423522550 927086148 /nfs/dbraw/zinc/08/61/48/927086148.db2.gz ZFLQHBLLCNTIKT-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001423522550 927086165 /nfs/dbraw/zinc/08/61/65/927086165.db2.gz ZFLQHBLLCNTIKT-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516896 927086246 /nfs/dbraw/zinc/08/62/46/927086246.db2.gz USWNZWRXDPRQSA-ZJUUUORDSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516896 927086263 /nfs/dbraw/zinc/08/62/63/927086263.db2.gz USWNZWRXDPRQSA-ZJUUUORDSA-N 1 1 318.374 -1.772 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CCC(F)F ZINC001423528488 927086388 /nfs/dbraw/zinc/08/63/88/927086388.db2.gz QFVHWPMYHNWCPW-MRVPVSSYSA-N 1 1 324.328 -1.022 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCC(F)F ZINC001423528488 927086399 /nfs/dbraw/zinc/08/63/99/927086399.db2.gz QFVHWPMYHNWCPW-MRVPVSSYSA-N 1 1 324.328 -1.022 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001423521017 927086475 /nfs/dbraw/zinc/08/64/75/927086475.db2.gz UOPATEXDJQBVDY-ZIAGYGMSSA-N 1 1 317.430 -1.159 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516950 927086632 /nfs/dbraw/zinc/08/66/32/927086632.db2.gz OAPJQQVOQRTPLB-NXEZZACHSA-N 1 1 312.374 -1.388 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516950 927086645 /nfs/dbraw/zinc/08/66/45/927086645.db2.gz OAPJQQVOQRTPLB-NXEZZACHSA-N 1 1 312.374 -1.388 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001423521004 927087074 /nfs/dbraw/zinc/08/70/74/927087074.db2.gz UOPATEXDJQBVDY-KBPBESRZSA-N 1 1 317.430 -1.159 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516892 927087499 /nfs/dbraw/zinc/08/74/99/927087499.db2.gz USWNZWRXDPRQSA-UWVGGRQHSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516892 927087517 /nfs/dbraw/zinc/08/75/17/927087517.db2.gz USWNZWRXDPRQSA-UWVGGRQHSA-N 1 1 318.374 -1.772 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423527199 927088369 /nfs/dbraw/zinc/08/83/69/927088369.db2.gz UFHXRMKQPPLUIJ-DTWKUNHWSA-N 1 1 306.338 -1.320 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423527199 927088373 /nfs/dbraw/zinc/08/83/73/927088373.db2.gz UFHXRMKQPPLUIJ-DTWKUNHWSA-N 1 1 306.338 -1.320 20 0 DAADMO CNC(=O)c1ccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)cn1 ZINC001423539921 927090511 /nfs/dbraw/zinc/09/05/11/927090511.db2.gz UCKLPQFQCJSXPA-GFCCVEGCSA-N 1 1 324.381 -1.202 20 0 DAADMO CN(C)c1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)ccn1 ZINC001423537916 927090559 /nfs/dbraw/zinc/09/05/59/927090559.db2.gz LHJPUNCOKQATDF-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)ccn1 ZINC001423537916 927090573 /nfs/dbraw/zinc/09/05/73/927090573.db2.gz LHJPUNCOKQATDF-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001423545073 927090841 /nfs/dbraw/zinc/09/08/41/927090841.db2.gz VBLIFCZSGMEOPW-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001423528831 927091287 /nfs/dbraw/zinc/09/12/87/927091287.db2.gz GPEWVGCSJZLGPJ-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001423528831 927091301 /nfs/dbraw/zinc/09/13/01/927091301.db2.gz GPEWVGCSJZLGPJ-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001423541620 927091494 /nfs/dbraw/zinc/09/14/94/927091494.db2.gz DUOAULCJCUQPGK-RYUDHWBXSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001423532945 927092136 /nfs/dbraw/zinc/09/21/36/927092136.db2.gz PDAHTJKJYTWJHY-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001423532945 927092151 /nfs/dbraw/zinc/09/21/51/927092151.db2.gz PDAHTJKJYTWJHY-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001423536304 927092230 /nfs/dbraw/zinc/09/22/30/927092230.db2.gz WOJXREAHVXKZNY-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001423536304 927092244 /nfs/dbraw/zinc/09/22/44/927092244.db2.gz WOJXREAHVXKZNY-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001423531236 927092845 /nfs/dbraw/zinc/09/28/45/927092845.db2.gz BVZLDABIOPVEJL-SNVBAGLBSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001423531236 927092853 /nfs/dbraw/zinc/09/28/53/927092853.db2.gz BVZLDABIOPVEJL-SNVBAGLBSA-N 1 1 310.416 -1.447 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001423538748 927092977 /nfs/dbraw/zinc/09/29/77/927092977.db2.gz AEFLKCWPNBMXPC-NWDGAFQWSA-N 1 1 314.386 -1.766 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001423538748 927092993 /nfs/dbraw/zinc/09/29/93/927092993.db2.gz AEFLKCWPNBMXPC-NWDGAFQWSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N1 ZINC001423532244 927093252 /nfs/dbraw/zinc/09/32/52/927093252.db2.gz AYZOACHZMKSNPA-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001423528829 927094329 /nfs/dbraw/zinc/09/43/29/927094329.db2.gz GPEWVGCSJZLGPJ-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001423528829 927094346 /nfs/dbraw/zinc/09/43/46/927094346.db2.gz GPEWVGCSJZLGPJ-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423538268 927094697 /nfs/dbraw/zinc/09/46/97/927094697.db2.gz DYEBYZWOPVZTJG-DTWKUNHWSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423538268 927094713 /nfs/dbraw/zinc/09/47/13/927094713.db2.gz DYEBYZWOPVZTJG-DTWKUNHWSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423582260 927095702 /nfs/dbraw/zinc/09/57/02/927095702.db2.gz JXPTWRQVSLBNCA-CQSZACIVSA-N 1 1 323.353 -1.725 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423582260 927095717 /nfs/dbraw/zinc/09/57/17/927095717.db2.gz JXPTWRQVSLBNCA-CQSZACIVSA-N 1 1 323.353 -1.725 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001423548848 927095752 /nfs/dbraw/zinc/09/57/52/927095752.db2.gz XZXUXONJKMYHEF-PWSUYJOCSA-N 1 1 324.381 -1.074 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)c1=O ZINC001423580430 927095782 /nfs/dbraw/zinc/09/57/82/927095782.db2.gz IQJBDXSDIPXWCL-HNNXBMFYSA-N 1 1 324.381 -1.490 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 ZINC001423561036 927095980 /nfs/dbraw/zinc/09/59/80/927095980.db2.gz SWJKQFSSLHAVMH-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001423557692 927096094 /nfs/dbraw/zinc/09/60/94/927096094.db2.gz BCZVNYOFOADCFG-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001423552451 927096362 /nfs/dbraw/zinc/09/63/62/927096362.db2.gz XHRRZIVKEPBUSY-MNOVXSKESA-N 1 1 311.386 -1.032 20 0 DAADMO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563510 927096614 /nfs/dbraw/zinc/09/66/14/927096614.db2.gz YPJPJNSWICSENT-TVQRCGJNSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563510 927096627 /nfs/dbraw/zinc/09/66/27/927096627.db2.gz YPJPJNSWICSENT-TVQRCGJNSA-N 1 1 323.357 -1.385 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)c1=O ZINC001423580440 927097581 /nfs/dbraw/zinc/09/75/81/927097581.db2.gz IQJBDXSDIPXWCL-OAHLLOKOSA-N 1 1 324.381 -1.490 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001423585494 927097682 /nfs/dbraw/zinc/09/76/82/927097682.db2.gz RVWNDBSGYPYSAD-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001423557691 927097752 /nfs/dbraw/zinc/09/77/52/927097752.db2.gz BCZVNYOFOADCFG-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423553125 927097980 /nfs/dbraw/zinc/09/79/80/927097980.db2.gz YKHKOGQSZUZEIY-ZJUUUORDSA-N 1 1 315.374 -2.493 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423553125 927097995 /nfs/dbraw/zinc/09/79/95/927097995.db2.gz YKHKOGQSZUZEIY-ZJUUUORDSA-N 1 1 315.374 -2.493 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001423585495 927098083 /nfs/dbraw/zinc/09/80/83/927098083.db2.gz RVWNDBSGYPYSAD-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1COCCO1)[C@@H]1CCNC1=O ZINC001423633074 927100046 /nfs/dbraw/zinc/10/00/46/927100046.db2.gz KBTCBMORIJKQFG-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1COCCO1)[C@@H]1CCNC1=O ZINC001423633074 927100057 /nfs/dbraw/zinc/10/00/57/927100057.db2.gz KBTCBMORIJKQFG-VXGBXAGGSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC001423631240 927100313 /nfs/dbraw/zinc/10/03/13/927100313.db2.gz YVNFBWFXEHLAEU-JTQLQIEISA-N 1 1 311.346 -2.374 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC001423631240 927100330 /nfs/dbraw/zinc/10/03/30/927100330.db2.gz YVNFBWFXEHLAEU-JTQLQIEISA-N 1 1 311.346 -2.374 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C(C)(C)C ZINC001423601105 927100614 /nfs/dbraw/zinc/10/06/14/927100614.db2.gz RLVCTDPAWSAOBK-SNVBAGLBSA-N 1 1 311.390 -1.033 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C(C)(C)C ZINC001423601103 927100747 /nfs/dbraw/zinc/10/07/47/927100747.db2.gz RLVCTDPAWSAOBK-JTQLQIEISA-N 1 1 311.390 -1.033 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001423628602 927100866 /nfs/dbraw/zinc/10/08/66/927100866.db2.gz UGINSUUVOWDTPP-ZJUUUORDSA-N 1 1 314.342 -1.952 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001423628602 927100871 /nfs/dbraw/zinc/10/08/71/927100871.db2.gz UGINSUUVOWDTPP-ZJUUUORDSA-N 1 1 314.342 -1.952 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001423605248 927100908 /nfs/dbraw/zinc/10/09/08/927100908.db2.gz XVULBBCUWPBAPJ-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001423639442 927101035 /nfs/dbraw/zinc/10/10/35/927101035.db2.gz DEBQEDPTAZKNAU-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nnn(C)n1)[C@@H]1CCNC1=O ZINC001423637054 927102051 /nfs/dbraw/zinc/10/20/51/927102051.db2.gz KJTPQTYXUAWLHU-SECBINFHSA-N 1 1 311.346 -2.223 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H]1CCNC1=O ZINC001423637054 927102057 /nfs/dbraw/zinc/10/20/57/927102057.db2.gz KJTPQTYXUAWLHU-SECBINFHSA-N 1 1 311.346 -2.223 20 0 DAADMO C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001423681060 927104344 /nfs/dbraw/zinc/10/43/44/927104344.db2.gz RZVUQTWHRYHKHG-XNWIYYODSA-N 1 1 324.389 -1.264 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001423688786 927105034 /nfs/dbraw/zinc/10/50/34/927105034.db2.gz WEBSYNRJOGGEPV-ZWNOBZJWSA-N 1 1 309.374 -1.235 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001423699106 927105720 /nfs/dbraw/zinc/10/57/20/927105720.db2.gz AKDOZIIUDAEUHM-LBPRGKRZSA-N 1 1 320.415 -1.761 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001423699106 927105730 /nfs/dbraw/zinc/10/57/30/927105730.db2.gz AKDOZIIUDAEUHM-LBPRGKRZSA-N 1 1 320.415 -1.761 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743054 927106619 /nfs/dbraw/zinc/10/66/19/927106619.db2.gz QJDQLDCGZGOYAA-JSGCOSHPSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423743240 927107524 /nfs/dbraw/zinc/10/75/24/927107524.db2.gz PVBNUCLGENVUJH-BXUZGUMPSA-N 1 1 312.370 -2.046 20 0 DAADMO O=C(CCn1cccn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423737226 927108561 /nfs/dbraw/zinc/10/85/61/927108561.db2.gz BRILWGYVKGXUHK-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1cccn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423737226 927108573 /nfs/dbraw/zinc/10/85/73/927108573.db2.gz BRILWGYVKGXUHK-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743017 927108634 /nfs/dbraw/zinc/10/86/34/927108634.db2.gz PSEFVLSYQROBEB-CQSZACIVSA-N 1 1 310.354 -1.094 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743017 927108652 /nfs/dbraw/zinc/10/86/52/927108652.db2.gz PSEFVLSYQROBEB-CQSZACIVSA-N 1 1 310.354 -1.094 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423738810 927108724 /nfs/dbraw/zinc/10/87/24/927108724.db2.gz BOQKGTIFZNZAJV-JTNHKYCSSA-N 1 1 315.370 -2.175 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001423742081 927109062 /nfs/dbraw/zinc/10/90/62/927109062.db2.gz HTPPPSPKXMYHKW-CQSZACIVSA-N 1 1 309.370 -1.476 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001423742081 927109072 /nfs/dbraw/zinc/10/90/72/927109072.db2.gz HTPPPSPKXMYHKW-CQSZACIVSA-N 1 1 309.370 -1.476 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001423749801 927110042 /nfs/dbraw/zinc/11/00/42/927110042.db2.gz BDQNTYXTVVIRSG-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1)NC1CC1 ZINC001423752619 927110486 /nfs/dbraw/zinc/11/04/86/927110486.db2.gz CTRJTCAJYYAVNW-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1)NC1CC1 ZINC001423752619 927110496 /nfs/dbraw/zinc/11/04/96/927110496.db2.gz CTRJTCAJYYAVNW-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)NC(=O)NC1CC1 ZINC001423745654 927110644 /nfs/dbraw/zinc/11/06/44/927110644.db2.gz UDLUGFSEFOFTFN-HNNXBMFYSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)NC(=O)NC1CC1 ZINC001423745654 927110651 /nfs/dbraw/zinc/11/06/51/927110651.db2.gz UDLUGFSEFOFTFN-HNNXBMFYSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423752840 927110711 /nfs/dbraw/zinc/11/07/11/927110711.db2.gz ZJTSHFYAQKSHCV-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423752840 927110717 /nfs/dbraw/zinc/11/07/17/927110717.db2.gz ZJTSHFYAQKSHCV-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001423749957 927110863 /nfs/dbraw/zinc/11/08/63/927110863.db2.gz VQZCEGDIIRXJSX-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001423752610 927110889 /nfs/dbraw/zinc/11/08/89/927110889.db2.gz CSFAWYXWSZDEBC-YGRLFVJLSA-N 1 1 324.385 -1.567 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001423748440 927111044 /nfs/dbraw/zinc/11/10/44/927111044.db2.gz XRXZZNIIUDGMLU-OTYXRUKQSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001423748440 927111050 /nfs/dbraw/zinc/11/10/50/927111050.db2.gz XRXZZNIIUDGMLU-OTYXRUKQSA-N 1 1 312.370 -1.077 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1)NC1CC1 ZINC001423752620 927111316 /nfs/dbraw/zinc/11/13/16/927111316.db2.gz CTRJTCAJYYAVNW-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1)NC1CC1 ZINC001423752620 927111323 /nfs/dbraw/zinc/11/13/23/927111323.db2.gz CTRJTCAJYYAVNW-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)COC)C1 ZINC001423748199 927111671 /nfs/dbraw/zinc/11/16/71/927111671.db2.gz SBFCKJJRNGDWTL-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)COC)C1 ZINC001423748199 927111678 /nfs/dbraw/zinc/11/16/78/927111678.db2.gz SBFCKJJRNGDWTL-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423752835 927112136 /nfs/dbraw/zinc/11/21/36/927112136.db2.gz ZJTSHFYAQKSHCV-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423752835 927112139 /nfs/dbraw/zinc/11/21/39/927112139.db2.gz ZJTSHFYAQKSHCV-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423746218 927112743 /nfs/dbraw/zinc/11/27/43/927112743.db2.gz WHBKKSUPXXEYRJ-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)COC)C1 ZINC001423748204 927112821 /nfs/dbraw/zinc/11/28/21/927112821.db2.gz SBFCKJJRNGDWTL-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)COC)C1 ZINC001423748204 927112830 /nfs/dbraw/zinc/11/28/30/927112830.db2.gz SBFCKJJRNGDWTL-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001423753750 927113831 /nfs/dbraw/zinc/11/38/31/927113831.db2.gz FTPNOHSGFGSKLD-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001423753750 927113840 /nfs/dbraw/zinc/11/38/40/927113840.db2.gz FTPNOHSGFGSKLD-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001423754022 927114352 /nfs/dbraw/zinc/11/43/52/927114352.db2.gz VASKLQRPPQAJLJ-SKDRFNHKSA-N 1 1 311.346 -2.510 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423760245 927114773 /nfs/dbraw/zinc/11/47/73/927114773.db2.gz JPDHAQLFDZKLRY-OTYXRUKQSA-N 1 1 324.385 -1.657 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001423753674 927114844 /nfs/dbraw/zinc/11/48/44/927114844.db2.gz BTWZYYZERQDTHP-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001423753674 927114850 /nfs/dbraw/zinc/11/48/50/927114850.db2.gz BTWZYYZERQDTHP-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001423754021 927115307 /nfs/dbraw/zinc/11/53/07/927115307.db2.gz VASKLQRPPQAJLJ-JOYOIKCWSA-N 1 1 311.346 -2.510 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001423758705 927115403 /nfs/dbraw/zinc/11/54/03/927115403.db2.gz IRAQLSHERHNVML-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001423758705 927115407 /nfs/dbraw/zinc/11/54/07/927115407.db2.gz IRAQLSHERHNVML-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO O=C(CNC(=O)c1ccncc1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001423758149 927115422 /nfs/dbraw/zinc/11/54/22/927115422.db2.gz GPICZJGRTRCYMB-OAHLLOKOSA-N 1 1 322.365 -1.643 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001423759573 927115798 /nfs/dbraw/zinc/11/57/98/927115798.db2.gz GXPVTVVTDHSPOC-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001423759573 927115807 /nfs/dbraw/zinc/11/58/07/927115807.db2.gz GXPVTVVTDHSPOC-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001423756077 927115938 /nfs/dbraw/zinc/11/59/38/927115938.db2.gz FJBUPEOYXDWQAR-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001423756077 927115945 /nfs/dbraw/zinc/11/59/45/927115945.db2.gz FJBUPEOYXDWQAR-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2cncn2C1 ZINC001423758679 927116112 /nfs/dbraw/zinc/11/61/12/927116112.db2.gz IQGFNGGFOMJKCI-SWLSCSKDSA-N 1 1 308.382 -1.009 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423766632 927117516 /nfs/dbraw/zinc/11/75/16/927117516.db2.gz QATXRCYZKHWNQX-AWEZNQCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423766632 927117527 /nfs/dbraw/zinc/11/75/27/927117527.db2.gz QATXRCYZKHWNQX-AWEZNQCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001423760846 927118024 /nfs/dbraw/zinc/11/80/24/927118024.db2.gz HDTZNMBDXOBTPN-GXFFZTMASA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423762377 927118380 /nfs/dbraw/zinc/11/83/80/927118380.db2.gz VSGQFILXLQIEQV-AWEZNQCLSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423762377 927118386 /nfs/dbraw/zinc/11/83/86/927118386.db2.gz VSGQFILXLQIEQV-AWEZNQCLSA-N 1 1 312.370 -2.236 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)CC[N@H+]1C ZINC001423762181 927119030 /nfs/dbraw/zinc/11/90/30/927119030.db2.gz LTUJRKRQNHMYBU-ZOWXZIJZSA-N 1 1 312.414 -1.245 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761972 927119161 /nfs/dbraw/zinc/11/91/61/927119161.db2.gz SURKSJSBJBNRTC-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761972 927119169 /nfs/dbraw/zinc/11/91/69/927119169.db2.gz SURKSJSBJBNRTC-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1ccnc1COCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423763027 927119954 /nfs/dbraw/zinc/11/99/54/927119954.db2.gz VCAWEDUPLVCWND-CQSZACIVSA-N 1 1 312.370 -1.518 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423774327 927121380 /nfs/dbraw/zinc/12/13/80/927121380.db2.gz YWBDDXMKCWZBNT-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1ccn2nnnc2c1 ZINC001423774682 927121848 /nfs/dbraw/zinc/12/18/48/927121848.db2.gz DTISFRGFIQNFFH-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001423775657 927122328 /nfs/dbraw/zinc/12/23/28/927122328.db2.gz LUYMZKWWOAERSG-HTTKSJEASA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001423775657 927122340 /nfs/dbraw/zinc/12/23/40/927122340.db2.gz LUYMZKWWOAERSG-HTTKSJEASA-N 1 1 311.382 -1.160 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001423778291 927122589 /nfs/dbraw/zinc/12/25/89/927122589.db2.gz UGMRNSQWGOFGJH-IAQYHMDHSA-N 1 1 321.381 -1.183 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423778770 927122832 /nfs/dbraw/zinc/12/28/32/927122832.db2.gz MRYKLWMQHNRPBZ-JTQLQIEISA-N 1 1 310.376 -3.415 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001423775092 927123009 /nfs/dbraw/zinc/12/30/09/927123009.db2.gz GJQYAPMIALMONU-RNCFNFMXSA-N 1 1 300.359 -2.203 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001423775092 927123019 /nfs/dbraw/zinc/12/30/19/927123019.db2.gz GJQYAPMIALMONU-RNCFNFMXSA-N 1 1 300.359 -2.203 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771017 927123079 /nfs/dbraw/zinc/12/30/79/927123079.db2.gz YXOJTWYZOUECAJ-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001423771017 927123087 /nfs/dbraw/zinc/12/30/87/927123087.db2.gz YXOJTWYZOUECAJ-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773526 927123153 /nfs/dbraw/zinc/12/31/53/927123153.db2.gz HQGKZYMFMAUVSB-IAQYHMDHSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773526 927123162 /nfs/dbraw/zinc/12/31/62/927123162.db2.gz HQGKZYMFMAUVSB-IAQYHMDHSA-N 1 1 323.397 -1.048 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423774324 927123931 /nfs/dbraw/zinc/12/39/31/927123931.db2.gz YWBDDXMKCWZBNT-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001423788856 927126201 /nfs/dbraw/zinc/12/62/01/927126201.db2.gz KPINXRBKYKIMOW-AWEZNQCLSA-N 1 1 309.370 -1.476 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001423788856 927126211 /nfs/dbraw/zinc/12/62/11/927126211.db2.gz KPINXRBKYKIMOW-AWEZNQCLSA-N 1 1 309.370 -1.476 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001423787463 927126504 /nfs/dbraw/zinc/12/65/04/927126504.db2.gz ILTQKMALBZXRDK-QMTHXVAHSA-N 1 1 320.353 -1.328 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001423792002 927127503 /nfs/dbraw/zinc/12/75/03/927127503.db2.gz HBVCWWMJMWZFDA-GFCCVEGCSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001423789997 927127761 /nfs/dbraw/zinc/12/77/61/927127761.db2.gz MOBXGRWVPIYGLU-BONVTDFDSA-N 1 1 322.365 -1.272 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001423791318 927127912 /nfs/dbraw/zinc/12/79/12/927127912.db2.gz FNRWDQTXPWGOQP-OAHLLOKOSA-N 1 1 323.397 -1.046 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)nc1 ZINC001423788795 927128072 /nfs/dbraw/zinc/12/80/72/927128072.db2.gz KILPGCMCPMNEDE-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423795875 927129889 /nfs/dbraw/zinc/12/98/89/927129889.db2.gz PPMDZLKJPLQRNQ-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423795875 927129898 /nfs/dbraw/zinc/12/98/98/927129898.db2.gz PPMDZLKJPLQRNQ-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001423794279 927130229 /nfs/dbraw/zinc/13/02/29/927130229.db2.gz WEHPLGDCVWWOFJ-XPTSAGLGSA-N 1 1 310.354 -1.339 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423799084 927130251 /nfs/dbraw/zinc/13/02/51/927130251.db2.gz HSPCKVJCCJSLFC-OAHLLOKOSA-N 1 1 323.397 -1.220 20 0 DAADMO CC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423798007 927130618 /nfs/dbraw/zinc/13/06/18/927130618.db2.gz XNOXZBJHYYVLMW-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO CC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423798007 927130626 /nfs/dbraw/zinc/13/06/26/927130626.db2.gz XNOXZBJHYYVLMW-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001423797236 927130953 /nfs/dbraw/zinc/13/09/53/927130953.db2.gz NFGKTIXUWRXNFD-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001423797236 927130960 /nfs/dbraw/zinc/13/09/60/927130960.db2.gz NFGKTIXUWRXNFD-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001423799762 927131776 /nfs/dbraw/zinc/13/17/76/927131776.db2.gz YHKATALPRGSSSC-BXUZGUMPSA-N 1 1 323.353 -1.143 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001423794275 927131895 /nfs/dbraw/zinc/13/18/95/927131895.db2.gz WEHPLGDCVWWOFJ-LKFCYVNXSA-N 1 1 310.354 -1.339 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001423797944 927132097 /nfs/dbraw/zinc/13/20/97/927132097.db2.gz KQPXRXDYKJAQSQ-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001423797944 927132112 /nfs/dbraw/zinc/13/21/12/927132112.db2.gz KQPXRXDYKJAQSQ-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423798964 927132458 /nfs/dbraw/zinc/13/24/58/927132458.db2.gz YDGGMXLPISAKNM-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423798964 927132467 /nfs/dbraw/zinc/13/24/67/927132467.db2.gz YDGGMXLPISAKNM-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO Cn1nnnc1CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423804133 927133184 /nfs/dbraw/zinc/13/31/84/927133184.db2.gz XKXIUIRZDQPPPA-RISCZKNCSA-N 1 1 323.401 -1.785 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)c(=O)[nH]c1=O ZINC001423802041 927133419 /nfs/dbraw/zinc/13/34/19/927133419.db2.gz ZHCHGPIEYQRJJR-ZDUSSCGKSA-N 1 1 314.317 -1.378 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)c(=O)[nH]c1=O ZINC001423802041 927133430 /nfs/dbraw/zinc/13/34/30/927133430.db2.gz ZHCHGPIEYQRJJR-ZDUSSCGKSA-N 1 1 314.317 -1.378 20 0 DAADMO Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423801928 927133884 /nfs/dbraw/zinc/13/38/84/927133884.db2.gz YPUNWGUKGRQWHH-OAHLLOKOSA-N 1 1 323.397 -1.003 20 0 DAADMO Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423801928 927133893 /nfs/dbraw/zinc/13/38/93/927133893.db2.gz YPUNWGUKGRQWHH-OAHLLOKOSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1nnc(CN2CC[C@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001423803551 927134379 /nfs/dbraw/zinc/13/43/79/927134379.db2.gz UMZCGQUYBYSHAY-FZMZJTMJSA-N 1 1 323.401 -1.785 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CC(=O)N3CCC3)C2)C1 ZINC001423800575 927134591 /nfs/dbraw/zinc/13/45/91/927134591.db2.gz LILJIQPJUSQOFH-CJNGLKHVSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1nnnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423804135 927135664 /nfs/dbraw/zinc/13/56/64/927135664.db2.gz XKXIUIRZDQPPPA-SMDDNHRTSA-N 1 1 323.401 -1.785 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@H]1COCCO1 ZINC001423806999 927138957 /nfs/dbraw/zinc/13/89/57/927138957.db2.gz COVAIBQMQNAWOM-CHWSQXEVSA-N 1 1 314.382 -1.009 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN([C@@H](C)C(N)=O)C2)CC[N@H+]1C ZINC001423819287 927141457 /nfs/dbraw/zinc/14/14/57/927141457.db2.gz HYQADHDJHAVRKA-SDDRHHMPSA-N 1 1 312.414 -1.247 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423824693 927143511 /nfs/dbraw/zinc/14/35/11/927143511.db2.gz ZICPPWNNULGPFC-IJLUTSLNSA-N 1 1 312.414 -1.376 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NCC2CC2)C1 ZINC001423826356 927143807 /nfs/dbraw/zinc/14/38/07/927143807.db2.gz HOIPQYZKQNBHRP-CYBMUJFWSA-N 1 1 324.425 -1.230 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423832504 927148989 /nfs/dbraw/zinc/14/89/89/927148989.db2.gz XKDVODGZDJTBEA-NSHDSACASA-N 1 1 314.386 -2.432 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423832504 927149003 /nfs/dbraw/zinc/14/90/03/927149003.db2.gz XKDVODGZDJTBEA-NSHDSACASA-N 1 1 314.386 -2.432 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001423834701 927151125 /nfs/dbraw/zinc/15/11/25/927151125.db2.gz URAZPZBXPUKBBB-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001423873090 927161247 /nfs/dbraw/zinc/16/12/47/927161247.db2.gz DMEHWTYEQFEBCR-UHFFFAOYSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001423872142 927161464 /nfs/dbraw/zinc/16/14/64/927161464.db2.gz BNLJOWHFNAVATJ-JTQLQIEISA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001423878158 927163569 /nfs/dbraw/zinc/16/35/69/927163569.db2.gz RCSSZWSTXJDUHD-JTQLQIEISA-N 1 1 307.416 -1.257 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001423881684 927164437 /nfs/dbraw/zinc/16/44/37/927164437.db2.gz DJCIDVDQBHRXLI-UHFFFAOYSA-N 1 1 309.370 -1.380 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001423885432 927165804 /nfs/dbraw/zinc/16/58/04/927165804.db2.gz OOXKNDLLMPKJJX-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2nnn(C)n2)C1 ZINC001423901104 927168539 /nfs/dbraw/zinc/16/85/39/927168539.db2.gz IUBVIINNOAQOIF-UHFFFAOYSA-N 1 1 311.390 -1.785 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001423907697 927168618 /nfs/dbraw/zinc/16/86/18/927168618.db2.gz DCWHSOUSTHOUDU-LBPRGKRZSA-N 1 1 312.414 -1.232 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC001423937679 927173353 /nfs/dbraw/zinc/17/33/53/927173353.db2.gz AXHIGFOPDQAGJV-MRVPVSSYSA-N 1 1 304.372 -1.370 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)cn1 ZINC001423979261 927175988 /nfs/dbraw/zinc/17/59/88/927175988.db2.gz AFQABAUHSCNDAN-PHIMTYICSA-N 1 1 320.353 -1.381 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001423972994 927176435 /nfs/dbraw/zinc/17/64/35/927176435.db2.gz CCDONFMRWFLCCL-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423960406 927176957 /nfs/dbraw/zinc/17/69/57/927176957.db2.gz COWRNKMUOFQENI-DTWKUNHWSA-N 1 1 308.342 -1.098 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CCOCC3)C[C@H]2C1 ZINC001423973475 927177102 /nfs/dbraw/zinc/17/71/02/927177102.db2.gz MJKAJGUSZODWOT-TXEJJXNPSA-N 1 1 324.381 -1.002 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001423987485 927178320 /nfs/dbraw/zinc/17/83/20/927178320.db2.gz DIQMYSBSYDABKQ-PHIMTYICSA-N 1 1 312.370 -2.033 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001423988219 927178623 /nfs/dbraw/zinc/17/86/23/927178623.db2.gz GYGWERBYWURFJY-TXEJJXNPSA-N 1 1 321.385 -1.403 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001423982015 927178868 /nfs/dbraw/zinc/17/88/68/927178868.db2.gz ZWLHSQHPONUVED-PHIMTYICSA-N 1 1 304.416 -1.161 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001423985561 927179036 /nfs/dbraw/zinc/17/90/36/927179036.db2.gz XNFHZHWQULPHJF-KXNHARMFSA-N 1 1 324.381 -1.004 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2C1 ZINC001423986671 927179265 /nfs/dbraw/zinc/17/92/65/927179265.db2.gz BJMNVFCNZYWSGC-GARJFASQSA-N 1 1 311.386 -1.560 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001423986251 927179486 /nfs/dbraw/zinc/17/94/86/927179486.db2.gz QPHUHJCERFNCIT-PHIMTYICSA-N 1 1 319.427 -1.303 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001424020308 927181333 /nfs/dbraw/zinc/18/13/33/927181333.db2.gz LATMQZDCYBMJDO-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001424018710 927182411 /nfs/dbraw/zinc/18/24/11/927182411.db2.gz YIWCAZNMHWIYQE-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO CN(CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001424019261 927183780 /nfs/dbraw/zinc/18/37/80/927183780.db2.gz IQALHCJAYGVTKQ-GFCCVEGCSA-N 1 1 323.415 -2.187 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424025754 927184504 /nfs/dbraw/zinc/18/45/04/927184504.db2.gz WPLVGXDHMHNUBH-CQSZACIVSA-N 1 1 317.386 -1.973 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424040399 927185728 /nfs/dbraw/zinc/18/57/28/927185728.db2.gz MDSDOVJSHSKNGN-HIFRSBDPSA-N 1 1 313.398 -1.067 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)CS(=O)(=O)NC)C1 ZINC001424043335 927186002 /nfs/dbraw/zinc/18/60/02/927186002.db2.gz OMKNJMKFGMDCMY-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001424026034 927186224 /nfs/dbraw/zinc/18/62/24/927186224.db2.gz OKFNPUXLACVBHW-CYBMUJFWSA-N 1 1 302.375 -1.366 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001424033480 927186525 /nfs/dbraw/zinc/18/65/25/927186525.db2.gz COYGZSRYHGMAMV-CQSZACIVSA-N 1 1 310.354 -1.337 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001424033478 927186603 /nfs/dbraw/zinc/18/66/03/927186603.db2.gz COYGZSRYHGMAMV-AWEZNQCLSA-N 1 1 310.354 -1.337 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001424045390 927187497 /nfs/dbraw/zinc/18/74/97/927187497.db2.gz PJIDCZIEIXYSSJ-QMMMGPOBSA-N 1 1 309.334 -1.887 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cn1cncn1)c1nncn1C ZINC001424049171 927188141 /nfs/dbraw/zinc/18/81/41/927188141.db2.gz KIAOOPYLXJRDKH-NSHDSACASA-N 1 1 322.373 -1.422 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001424050392 927189100 /nfs/dbraw/zinc/18/91/00/927189100.db2.gz WQICSIIATIYHMR-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCCN2C)C1=O ZINC001424064810 927190989 /nfs/dbraw/zinc/19/09/89/927190989.db2.gz HJYDXXOABVQYGQ-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107800 927196871 /nfs/dbraw/zinc/19/68/71/927196871.db2.gz UMQFPWCTDPFEHW-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107800 927196880 /nfs/dbraw/zinc/19/68/80/927196880.db2.gz UMQFPWCTDPFEHW-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)C(=O)CNC(N)=O ZINC001424145459 927200700 /nfs/dbraw/zinc/20/07/00/927200700.db2.gz MXWYUBNSLMGQEW-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424148361 927203449 /nfs/dbraw/zinc/20/34/49/927203449.db2.gz JSEADBJWYZTSNN-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CCCC(N)=O)CCC1 ZINC001424211431 927208561 /nfs/dbraw/zinc/20/85/61/927208561.db2.gz MUWDZIWOVDWTOI-UHFFFAOYSA-N 1 1 309.374 -1.006 20 0 DAADMO NC(=O)NCCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001424240094 927215121 /nfs/dbraw/zinc/21/51/21/927215121.db2.gz OEHSLIQKZWLBNQ-JTQLQIEISA-N 1 1 312.330 -1.555 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cnnn1C ZINC001424285214 927216389 /nfs/dbraw/zinc/21/63/89/927216389.db2.gz KLALLJRKZVBCDD-UHFFFAOYSA-N 1 1 311.346 -1.596 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001424281452 927216845 /nfs/dbraw/zinc/21/68/45/927216845.db2.gz RSIFWZLENXETTF-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001424294647 927218148 /nfs/dbraw/zinc/21/81/48/927218148.db2.gz FBRPAPLBEZFOAT-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)CNC(N)=O ZINC001424312931 927218822 /nfs/dbraw/zinc/21/88/22/927218822.db2.gz AEYHMEPCLUSJRE-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)c1nnn(C)n1 ZINC001424310547 927219188 /nfs/dbraw/zinc/21/91/88/927219188.db2.gz PEMNWEIFRHYODI-JTQLQIEISA-N 1 1 300.363 -1.389 20 0 DAADMO CCCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001424309834 927219464 /nfs/dbraw/zinc/21/94/64/927219464.db2.gz WNFVSWPQMGKGPH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001424313603 927219594 /nfs/dbraw/zinc/21/95/94/927219594.db2.gz RCEQAKWBDAFUEG-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C(F)F)C2)C1 ZINC001424316230 927220314 /nfs/dbraw/zinc/22/03/14/927220314.db2.gz GQIDXXOKWPSGLM-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CCO)(NC(=O)C(F)F)C2)C1 ZINC001424316230 927220318 /nfs/dbraw/zinc/22/03/18/927220318.db2.gz GQIDXXOKWPSGLM-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CS(=O)(=O)NC)O2 ZINC001424356792 927224504 /nfs/dbraw/zinc/22/45/04/927224504.db2.gz AVGOGJCXGIHOKU-JTQLQIEISA-N 1 1 305.400 -1.095 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001424382793 927230107 /nfs/dbraw/zinc/23/01/07/927230107.db2.gz WZEWHHMCVQPTOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ncn[nH]3)C2)C1 ZINC001424382793 927230121 /nfs/dbraw/zinc/23/01/21/927230121.db2.gz WZEWHHMCVQPTOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3ncn[nH]3)C2)C1 ZINC001424382793 927230136 /nfs/dbraw/zinc/23/01/36/927230136.db2.gz WZEWHHMCVQPTOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3nc[nH]n3)C2)C1 ZINC001424382793 927230147 /nfs/dbraw/zinc/23/01/47/927230147.db2.gz WZEWHHMCVQPTOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3nc[nH]n3)C2)C1 ZINC001424382793 927230157 /nfs/dbraw/zinc/23/01/57/927230157.db2.gz WZEWHHMCVQPTOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCNC2=O)CCOCC1)c1ncn[nH]1 ZINC001424435607 927234850 /nfs/dbraw/zinc/23/48/50/927234850.db2.gz YPNQKOXBJBBCBT-VIFPVBQESA-N 1 1 308.342 -1.438 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCNC2=O)CCOCC1)c1nc[nH]n1 ZINC001424435607 927234864 /nfs/dbraw/zinc/23/48/64/927234864.db2.gz YPNQKOXBJBBCBT-VIFPVBQESA-N 1 1 308.342 -1.438 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001424479006 927237211 /nfs/dbraw/zinc/23/72/11/927237211.db2.gz LNHOGEIHYIJZFX-WPRPVWTQSA-N 1 1 309.374 -1.021 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001424536673 927241705 /nfs/dbraw/zinc/24/17/05/927241705.db2.gz FVDQWBGIZOEPBA-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001424548639 927242133 /nfs/dbraw/zinc/24/21/33/927242133.db2.gz NUSYNPRPOXCHSW-UHFFFAOYSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC001424551991 927243053 /nfs/dbraw/zinc/24/30/53/927243053.db2.gz RJQUIHNSKUVURZ-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC001424551991 927243062 /nfs/dbraw/zinc/24/30/62/927243062.db2.gz RJQUIHNSKUVURZ-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424555348 927244063 /nfs/dbraw/zinc/24/40/63/927244063.db2.gz ZEWDKXTYBFPWTN-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001424555348 927244077 /nfs/dbraw/zinc/24/40/77/927244077.db2.gz ZEWDKXTYBFPWTN-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001424562527 927244404 /nfs/dbraw/zinc/24/44/04/927244404.db2.gz LUUCHDFHOPYIQR-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001424562527 927244420 /nfs/dbraw/zinc/24/44/20/927244420.db2.gz LUUCHDFHOPYIQR-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424555057 927244745 /nfs/dbraw/zinc/24/47/45/927244745.db2.gz ZEWDKXTYBFPWTN-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001424555057 927244758 /nfs/dbraw/zinc/24/47/58/927244758.db2.gz ZEWDKXTYBFPWTN-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001424586015 927245321 /nfs/dbraw/zinc/24/53/21/927245321.db2.gz BEMZGJCOQFDRHQ-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424569680 927245754 /nfs/dbraw/zinc/24/57/54/927245754.db2.gz SZLYDGLIUMRNDS-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001424569680 927245771 /nfs/dbraw/zinc/24/57/71/927245771.db2.gz SZLYDGLIUMRNDS-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC001424563004 927245928 /nfs/dbraw/zinc/24/59/28/927245928.db2.gz YFPURJYCCOQXOQ-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1cn[nH]c1 ZINC001424640651 927249580 /nfs/dbraw/zinc/24/95/80/927249580.db2.gz QNQCIXAUSPNNRW-LLVKDONJSA-N 1 1 307.354 -1.145 20 0 DAADMO CCS(=O)(=O)CC(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001424647872 927250135 /nfs/dbraw/zinc/25/01/35/927250135.db2.gz FYBIWBGHHGRZGI-NSHDSACASA-N 1 1 322.427 -1.255 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001424653147 927250420 /nfs/dbraw/zinc/25/04/20/927250420.db2.gz JPFHZICFVPEWSN-VIFPVBQESA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2c[nH]cn2)CC1 ZINC001424666907 927251335 /nfs/dbraw/zinc/25/13/35/927251335.db2.gz XKESGXCOUDIQDP-JTQLQIEISA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001424662193 927251374 /nfs/dbraw/zinc/25/13/74/927251374.db2.gz ZDBTVFAZOGOYJB-SECBINFHSA-N 1 1 310.358 -1.754 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccn(C)n2)CC1 ZINC001424647975 927251723 /nfs/dbraw/zinc/25/17/23/927251723.db2.gz LRCRPBABYSUHPF-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424704030 927252612 /nfs/dbraw/zinc/25/26/12/927252612.db2.gz LMTMTBFBHUGUME-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001424714056 927253385 /nfs/dbraw/zinc/25/33/85/927253385.db2.gz WNAAJDKYGUMABW-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001424714056 927253399 /nfs/dbraw/zinc/25/33/99/927253399.db2.gz WNAAJDKYGUMABW-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001424691440 927253487 /nfs/dbraw/zinc/25/34/87/927253487.db2.gz MATGODDAIPVNGC-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001424691440 927253500 /nfs/dbraw/zinc/25/35/00/927253500.db2.gz MATGODDAIPVNGC-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424701789 927253935 /nfs/dbraw/zinc/25/39/35/927253935.db2.gz JQIWFINTLSVHBZ-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424701789 927253947 /nfs/dbraw/zinc/25/39/47/927253947.db2.gz JQIWFINTLSVHBZ-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001424695489 927254479 /nfs/dbraw/zinc/25/44/79/927254479.db2.gz QQASKTPIRAZDJC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001424695489 927254490 /nfs/dbraw/zinc/25/44/90/927254490.db2.gz QQASKTPIRAZDJC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001424742990 927255033 /nfs/dbraw/zinc/25/50/33/927255033.db2.gz SZXZFSOGSGIBSR-VQXHTEKXSA-N 1 1 312.374 -1.144 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)[NH2+]Cc1nncn1C ZINC001424760179 927255373 /nfs/dbraw/zinc/25/53/73/927255373.db2.gz ZEEJVCUWBDJAHD-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)[NH2+]Cc1cnon1 ZINC001424780840 927258092 /nfs/dbraw/zinc/25/80/92/927258092.db2.gz CKKFERYTCFLFHM-GHMZBOCLSA-N 1 1 324.385 -1.174 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001424815371 927258136 /nfs/dbraw/zinc/25/81/36/927258136.db2.gz JGPJRPVIMJQNSA-WDEREUQCSA-N 1 1 323.401 -1.770 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001424806672 927259478 /nfs/dbraw/zinc/25/94/78/927259478.db2.gz BKDHTVDMXLEPLM-IUCAKERBSA-N 1 1 310.358 -1.109 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424777945 927259530 /nfs/dbraw/zinc/25/95/30/927259530.db2.gz LTJXCKFMDRDYGL-DTWKUNHWSA-N 1 1 320.357 -1.400 20 0 DAADMO C[C@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424865401 927261251 /nfs/dbraw/zinc/26/12/51/927261251.db2.gz ZMABVTOWTKIGPB-IUCAKERBSA-N 1 1 320.357 -1.400 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001424907652 927262720 /nfs/dbraw/zinc/26/27/20/927262720.db2.gz GVJOCRSOZIDRJV-VIFPVBQESA-N 1 1 324.403 -1.672 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001424907652 927262735 /nfs/dbraw/zinc/26/27/35/927262735.db2.gz GVJOCRSOZIDRJV-VIFPVBQESA-N 1 1 324.403 -1.672 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001424915098 927262792 /nfs/dbraw/zinc/26/27/92/927262792.db2.gz HALGHTYHVOOBCZ-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001424915098 927262803 /nfs/dbraw/zinc/26/28/03/927262803.db2.gz HALGHTYHVOOBCZ-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1COC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001424928387 927263444 /nfs/dbraw/zinc/26/34/44/927263444.db2.gz JHFBZENZIVBQKR-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1COC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424928387 927263452 /nfs/dbraw/zinc/26/34/52/927263452.db2.gz JHFBZENZIVBQKR-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001424926895 927263498 /nfs/dbraw/zinc/26/34/98/927263498.db2.gz GGWZGWSATNYEHL-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947883 927265245 /nfs/dbraw/zinc/26/52/45/927265245.db2.gz KQTYBRXTIDAGCL-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947883 927265257 /nfs/dbraw/zinc/26/52/57/927265257.db2.gz KQTYBRXTIDAGCL-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CNC(=O)CN1CCCS1(=O)=O)[N@H+](C)CC(N)=O ZINC001424948240 927265874 /nfs/dbraw/zinc/26/58/74/927265874.db2.gz ZCGUQKMBCHAMHN-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](CNC(=O)CN1CCCS1(=O)=O)[N@@H+](C)CC(N)=O ZINC001424948240 927265878 /nfs/dbraw/zinc/26/58/78/927265878.db2.gz ZCGUQKMBCHAMHN-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)N1CCCC1 ZINC001424942502 927265935 /nfs/dbraw/zinc/26/59/35/927265935.db2.gz UIYKWVZIPQRZPY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC001424942502 927265948 /nfs/dbraw/zinc/26/59/48/927265948.db2.gz UIYKWVZIPQRZPY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CCCS(C)(=O)=O ZINC001424975789 927266527 /nfs/dbraw/zinc/26/65/27/927266527.db2.gz FJSANWDFLIJTSB-VIFPVBQESA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCCS(C)(=O)=O ZINC001424975789 927266538 /nfs/dbraw/zinc/26/65/38/927266538.db2.gz FJSANWDFLIJTSB-VIFPVBQESA-N 1 1 318.403 -1.305 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001424980970 927267204 /nfs/dbraw/zinc/26/72/04/927267204.db2.gz ZEVFQLBLZOKKOY-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001424980970 927267217 /nfs/dbraw/zinc/26/72/17/927267217.db2.gz ZEVFQLBLZOKKOY-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001424970161 927267978 /nfs/dbraw/zinc/26/79/78/927267978.db2.gz DCMVMDQVBFVBBN-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCOC1 ZINC001425003335 927269992 /nfs/dbraw/zinc/26/99/92/927269992.db2.gz YGOAPGVOHBGZQC-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425004131 927270150 /nfs/dbraw/zinc/27/01/50/927270150.db2.gz UTXBIJFVIKTPLM-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425004131 927270163 /nfs/dbraw/zinc/27/01/63/927270163.db2.gz UTXBIJFVIKTPLM-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001425020946 927270340 /nfs/dbraw/zinc/27/03/40/927270340.db2.gz IMKFYDABHATOOI-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1 ZINC001425020946 927270348 /nfs/dbraw/zinc/27/03/48/927270348.db2.gz IMKFYDABHATOOI-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001425018204 927271131 /nfs/dbraw/zinc/27/11/31/927271131.db2.gz IMXOIUFYVQEDAB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001425018204 927271143 /nfs/dbraw/zinc/27/11/43/927271143.db2.gz IMXOIUFYVQEDAB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001425020938 927271213 /nfs/dbraw/zinc/27/12/13/927271213.db2.gz IMKFYDABHATOOI-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001425020938 927271226 /nfs/dbraw/zinc/27/12/26/927271226.db2.gz IMKFYDABHATOOI-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001424996230 927271614 /nfs/dbraw/zinc/27/16/14/927271614.db2.gz NLUOMKVAGCUAJL-UWVGGRQHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001424996230 927271630 /nfs/dbraw/zinc/27/16/30/927271630.db2.gz NLUOMKVAGCUAJL-UWVGGRQHSA-N 1 1 312.374 -1.718 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425004136 927272246 /nfs/dbraw/zinc/27/22/46/927272246.db2.gz UTXBIJFVIKTPLM-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001425004136 927272254 /nfs/dbraw/zinc/27/22/54/927272254.db2.gz UTXBIJFVIKTPLM-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035738 927272723 /nfs/dbraw/zinc/27/27/23/927272723.db2.gz FHQLGYVUFHHMOP-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035738 927272735 /nfs/dbraw/zinc/27/27/35/927272735.db2.gz FHQLGYVUFHHMOP-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CCO ZINC001425050744 927273093 /nfs/dbraw/zinc/27/30/93/927273093.db2.gz AHAGJELQNVLLSM-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001425029343 927273357 /nfs/dbraw/zinc/27/33/57/927273357.db2.gz LMTKPKXNCIPNFJ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425054220 927273433 /nfs/dbraw/zinc/27/34/33/927273433.db2.gz VIPYITCAQXUORF-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001425061438 927273632 /nfs/dbraw/zinc/27/36/32/927273632.db2.gz XVNTXYQLSJTDJX-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049019 927274330 /nfs/dbraw/zinc/27/43/30/927274330.db2.gz WOYYKABFJLTJSS-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049019 927274341 /nfs/dbraw/zinc/27/43/41/927274341.db2.gz WOYYKABFJLTJSS-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)CCn1cnccc1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001425042698 927274626 /nfs/dbraw/zinc/27/46/26/927274626.db2.gz QDQVGQBYFACSED-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425054219 927274997 /nfs/dbraw/zinc/27/49/97/927274997.db2.gz VIPYITCAQXUORF-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001425081362 927277220 /nfs/dbraw/zinc/27/72/20/927277220.db2.gz SSSWNARORIEFKC-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001425081362 927277232 /nfs/dbraw/zinc/27/72/32/927277232.db2.gz SSSWNARORIEFKC-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001425079713 927277794 /nfs/dbraw/zinc/27/77/94/927277794.db2.gz UNQUPKXXXFZRCH-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001425079713 927277806 /nfs/dbraw/zinc/27/78/06/927277806.db2.gz UNQUPKXXXFZRCH-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CCO)CN(CC(=O)N(C)C)C1 ZINC001425137945 927285430 /nfs/dbraw/zinc/28/54/30/927285430.db2.gz ZFOGSWOSWSYUCD-UHFFFAOYSA-N 1 1 314.430 -1.032 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001425130201 927286245 /nfs/dbraw/zinc/28/62/45/927286245.db2.gz MOAWZWBVODBEFW-UHFFFAOYSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1ncc(CN2CC(CCO)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001425146358 927288307 /nfs/dbraw/zinc/28/83/07/927288307.db2.gz XWUQVGDCDQFPRL-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1ncnc1CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001425145176 927288966 /nfs/dbraw/zinc/28/89/66/927288966.db2.gz WATLLTOGSNMEGY-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001425214334 927290342 /nfs/dbraw/zinc/29/03/42/927290342.db2.gz QHHWMHFYTGDHTI-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425211944 927290689 /nfs/dbraw/zinc/29/06/89/927290689.db2.gz NMQWEJGZIQFXBN-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](NC(=O)Cc1cc[nH]n1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001425226150 927292510 /nfs/dbraw/zinc/29/25/10/927292510.db2.gz CHJGZTKFQHXUEL-BDAKNGLRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001425232906 927294143 /nfs/dbraw/zinc/29/41/43/927294143.db2.gz BVRBPAQZSGBCTN-SECBINFHSA-N 1 1 321.385 -1.214 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425256437 927295808 /nfs/dbraw/zinc/29/58/08/927295808.db2.gz NGASEMCTGLXBGW-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425256441 927296116 /nfs/dbraw/zinc/29/61/16/927296116.db2.gz NGASEMCTGLXBGW-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnccn1 ZINC001425269043 927297837 /nfs/dbraw/zinc/29/78/37/927297837.db2.gz FBTVJYWSGBWSDN-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)CNC(C)=O ZINC001425274909 927299657 /nfs/dbraw/zinc/29/96/57/927299657.db2.gz DLRSRGJHUGSZNV-NSHDSACASA-N 1 1 316.402 -1.554 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](CCOC)CCO2 ZINC001425287877 927302239 /nfs/dbraw/zinc/30/22/39/927302239.db2.gz GNKGBEMCPPINKS-AWEZNQCLSA-N 1 1 314.386 -1.135 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCOC)CCO2 ZINC001425287877 927302247 /nfs/dbraw/zinc/30/22/47/927302247.db2.gz GNKGBEMCPPINKS-AWEZNQCLSA-N 1 1 314.386 -1.135 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001425287635 927302389 /nfs/dbraw/zinc/30/23/89/927302389.db2.gz YSGQPEINKOMYRO-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001425296402 927307097 /nfs/dbraw/zinc/30/70/97/927307097.db2.gz AJAXDIRYXPJOLE-JQWIXIFHSA-N 1 1 309.370 -1.042 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425296780 927307503 /nfs/dbraw/zinc/30/75/03/927307503.db2.gz JGIRDPSYNIVIEU-NXEZZACHSA-N 1 1 316.358 -2.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001425311019 927313814 /nfs/dbraw/zinc/31/38/14/927313814.db2.gz CCEOCIAGQLQGGP-XYYAHUGASA-N 1 1 322.409 -1.105 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001425311722 927314523 /nfs/dbraw/zinc/31/45/23/927314523.db2.gz FAMZIZUWRDWISR-LPWJVIDDSA-N 1 1 323.397 -1.043 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001425311722 927314542 /nfs/dbraw/zinc/31/45/42/927314542.db2.gz FAMZIZUWRDWISR-LPWJVIDDSA-N 1 1 323.397 -1.043 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001425311722 927314554 /nfs/dbraw/zinc/31/45/54/927314554.db2.gz FAMZIZUWRDWISR-LPWJVIDDSA-N 1 1 323.397 -1.043 20 0 DAADMO Cc1nonc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425321578 927317249 /nfs/dbraw/zinc/31/72/49/927317249.db2.gz BEFDKPHSCIQJIR-UWVGGRQHSA-N 1 1 311.342 -1.321 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321930 927317781 /nfs/dbraw/zinc/31/77/81/927317781.db2.gz AYEXEIUAJKHEFQ-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321930 927317796 /nfs/dbraw/zinc/31/77/96/927317796.db2.gz AYEXEIUAJKHEFQ-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001425327056 927318716 /nfs/dbraw/zinc/31/87/16/927318716.db2.gz OCUFDBGCNOUDNF-ZSOGYDGISA-N 1 1 322.409 -1.057 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425325196 927320108 /nfs/dbraw/zinc/32/01/08/927320108.db2.gz GSJOYUYTMFXABU-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425325196 927320112 /nfs/dbraw/zinc/32/01/12/927320112.db2.gz GSJOYUYTMFXABU-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1nccn1 ZINC001425340778 927322885 /nfs/dbraw/zinc/32/28/85/927322885.db2.gz XWYNERSBVXNLFM-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1nccn1 ZINC001425340750 927323100 /nfs/dbraw/zinc/32/31/00/927323100.db2.gz XWYNERSBVXNLFM-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1nccn1 ZINC001425340741 927323437 /nfs/dbraw/zinc/32/34/37/927323437.db2.gz XWYNERSBVXNLFM-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001425339975 927323624 /nfs/dbraw/zinc/32/36/24/927323624.db2.gz AZVOUYMZSZYBLS-CNDDSTCGSA-N 1 1 318.381 -1.127 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001425339975 927323635 /nfs/dbraw/zinc/32/36/35/927323635.db2.gz AZVOUYMZSZYBLS-CNDDSTCGSA-N 1 1 318.381 -1.127 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001425339975 927323647 /nfs/dbraw/zinc/32/36/47/927323647.db2.gz AZVOUYMZSZYBLS-CNDDSTCGSA-N 1 1 318.381 -1.127 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001425360760 927334138 /nfs/dbraw/zinc/33/41/38/927334138.db2.gz VWTRYWIOAFAZIZ-PWSUYJOCSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001425360761 927335438 /nfs/dbraw/zinc/33/54/38/927335438.db2.gz VWTRYWIOAFAZIZ-ZYHUDNBSSA-N 1 1 307.354 -1.365 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001425375624 927339136 /nfs/dbraw/zinc/33/91/36/927339136.db2.gz OROQVBNVJNIAQE-LBPRGKRZSA-N 1 1 324.385 -1.395 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001425369843 927339978 /nfs/dbraw/zinc/33/99/78/927339978.db2.gz QTDHKNIVMDQDFP-XWLWVQCSSA-N 1 1 305.400 -1.790 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CC2(O)CCC2)C1 ZINC001425387677 927340757 /nfs/dbraw/zinc/34/07/57/927340757.db2.gz BZDGCXXZEWHGPK-NWDGAFQWSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2ncc[nH]2)C1 ZINC001425387956 927341157 /nfs/dbraw/zinc/34/11/57/927341157.db2.gz COPLDVWNGPVLNM-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCCC(N)=O)C1 ZINC001425387464 927341399 /nfs/dbraw/zinc/34/13/99/927341399.db2.gz BGSZJACOFCOUDY-GHMZBOCLSA-N 1 1 314.386 -1.813 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001425390942 927342999 /nfs/dbraw/zinc/34/29/99/927342999.db2.gz KQXWMHVLTIYGOB-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001425388136 927343623 /nfs/dbraw/zinc/34/36/23/927343623.db2.gz DHEUUTKZPBTSPE-HUBLWGQQSA-N 1 1 322.365 -1.179 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001425389850 927343670 /nfs/dbraw/zinc/34/36/70/927343670.db2.gz ILJCXURGAWQCIE-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001425391301 927345780 /nfs/dbraw/zinc/34/57/80/927345780.db2.gz JNWMZMGZILIBEU-ZJUUUORDSA-N 1 1 324.385 -1.839 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001425394139 927347087 /nfs/dbraw/zinc/34/70/87/927347087.db2.gz OYWPOUJVWMFCGI-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425394123 927347155 /nfs/dbraw/zinc/34/71/55/927347155.db2.gz OYWPOUJVWMFCGI-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)COC)C1 ZINC001425399772 927348169 /nfs/dbraw/zinc/34/81/69/927348169.db2.gz FKRSIJYLROMNLT-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)COC)C1 ZINC001425399772 927348183 /nfs/dbraw/zinc/34/81/83/927348183.db2.gz FKRSIJYLROMNLT-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001425400614 927348634 /nfs/dbraw/zinc/34/86/34/927348634.db2.gz YGEKAYXHAHRXCQ-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn(C)cn2)CC[N@H+]1C ZINC001425406691 927350648 /nfs/dbraw/zinc/35/06/48/927350648.db2.gz NRCWWYUCKBVEFB-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn1cncn1)C1CCC1 ZINC001425405245 927351406 /nfs/dbraw/zinc/35/14/06/927351406.db2.gz PAWLPDXHWSMOKU-NSHDSACASA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001425403773 927351700 /nfs/dbraw/zinc/35/17/00/927351700.db2.gz DOWJRVRUQDAIAE-GFCCVEGCSA-N 1 1 311.386 -1.183 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001425426444 927355172 /nfs/dbraw/zinc/35/51/72/927355172.db2.gz LLUZDQUZJFXHAS-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO CCNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001425425320 927356355 /nfs/dbraw/zinc/35/63/55/927356355.db2.gz MBSFRNVPCPEWEG-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001425432959 927359308 /nfs/dbraw/zinc/35/93/08/927359308.db2.gz NXMYZIYOKYQYQS-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425442782 927359684 /nfs/dbraw/zinc/35/96/84/927359684.db2.gz LTWKJCUYCDIECN-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001425439447 927359926 /nfs/dbraw/zinc/35/99/26/927359926.db2.gz MPGYDZOBQMSEIN-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)COCC(F)F)C1 ZINC001425438507 927360007 /nfs/dbraw/zinc/36/00/07/927360007.db2.gz CDULQBAGAPAZIW-NXEZZACHSA-N 1 1 323.340 -1.187 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)COCC(F)F)C1 ZINC001425438509 927360070 /nfs/dbraw/zinc/36/00/70/927360070.db2.gz CDULQBAGAPAZIW-UWVGGRQHSA-N 1 1 323.340 -1.187 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1cnn[nH]1 ZINC001425440632 927360807 /nfs/dbraw/zinc/36/08/07/927360807.db2.gz OVYMLWYHFGLLQM-SECBINFHSA-N 1 1 308.342 -1.893 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001425445890 927362283 /nfs/dbraw/zinc/36/22/83/927362283.db2.gz MUAMVQJRFSQRCF-QWRGUYRKSA-N 1 1 323.353 -1.937 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cccnn1 ZINC001425444466 927363549 /nfs/dbraw/zinc/36/35/49/927363549.db2.gz JMDUJMYRXFGWBD-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425453435 927365448 /nfs/dbraw/zinc/36/54/48/927365448.db2.gz AWYPIGKLDFOGJF-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001425461572 927367064 /nfs/dbraw/zinc/36/70/64/927367064.db2.gz PCCVYFQCFGOETF-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001425461572 927367079 /nfs/dbraw/zinc/36/70/79/927367079.db2.gz PCCVYFQCFGOETF-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425460966 927367360 /nfs/dbraw/zinc/36/73/60/927367360.db2.gz ADYNEKCETVZVQC-CIQGVGRVSA-N 1 1 313.398 -1.186 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1nonc1C ZINC001425460582 927367533 /nfs/dbraw/zinc/36/75/33/927367533.db2.gz TZVNBSYWYNVGJE-JTQLQIEISA-N 1 1 313.358 -1.073 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425460967 927368310 /nfs/dbraw/zinc/36/83/10/927368310.db2.gz ADYNEKCETVZVQC-NMKXLXIOSA-N 1 1 313.398 -1.186 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001425463761 927369956 /nfs/dbraw/zinc/36/99/56/927369956.db2.gz CINWZXQDRTZMGQ-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001425463761 927369964 /nfs/dbraw/zinc/36/99/64/927369964.db2.gz CINWZXQDRTZMGQ-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001425463761 927369974 /nfs/dbraw/zinc/36/99/74/927369974.db2.gz CINWZXQDRTZMGQ-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001425463761 927369987 /nfs/dbraw/zinc/36/99/87/927369987.db2.gz CINWZXQDRTZMGQ-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001425463761 927369996 /nfs/dbraw/zinc/36/99/96/927369996.db2.gz CINWZXQDRTZMGQ-GARJFASQSA-N 1 1 324.385 -1.258 20 0 DAADMO Cn1nccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425466207 927371390 /nfs/dbraw/zinc/37/13/90/927371390.db2.gz VUTGCXGZWOQVGE-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001425485527 927378026 /nfs/dbraw/zinc/37/80/26/927378026.db2.gz LSTXLDYUEQCVDZ-SECBINFHSA-N 1 1 308.298 -1.518 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490451 927379010 /nfs/dbraw/zinc/37/90/10/927379010.db2.gz LXNXOZKIZGABTI-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490451 927379021 /nfs/dbraw/zinc/37/90/21/927379021.db2.gz LXNXOZKIZGABTI-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001425521609 927386840 /nfs/dbraw/zinc/38/68/40/927386840.db2.gz LAPXAJGDYMMENU-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnn(C)c2)C1 ZINC001425524033 927386944 /nfs/dbraw/zinc/38/69/44/927386944.db2.gz PCLUVWNNCPVTQW-DGCLKSJQSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnn(C)c2)C1 ZINC001425524038 927387530 /nfs/dbraw/zinc/38/75/30/927387530.db2.gz PCLUVWNNCPVTQW-WCQYABFASA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001425532396 927388207 /nfs/dbraw/zinc/38/82/07/927388207.db2.gz IPKOOERVFVFICD-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001425600350 927397852 /nfs/dbraw/zinc/39/78/52/927397852.db2.gz VJRCSSBDKLFYAQ-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001425703066 927403209 /nfs/dbraw/zinc/40/32/09/927403209.db2.gz CQDDMYFEOBBQPA-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001425703062 927403635 /nfs/dbraw/zinc/40/36/35/927403635.db2.gz CQDDMYFEOBBQPA-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1snnc1C ZINC001425712893 927405383 /nfs/dbraw/zinc/40/53/83/927405383.db2.gz NJPHPSGNPCMJSV-VIFPVBQESA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C1CCC1)N1CCNC(=O)C1 ZINC001425719034 927405495 /nfs/dbraw/zinc/40/54/95/927405495.db2.gz NYCQDQGJIRIHLD-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001425721794 927408090 /nfs/dbraw/zinc/40/80/90/927408090.db2.gz LQPOJTFLJOVETO-JTQLQIEISA-N 1 1 305.356 -1.406 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001425729730 927410592 /nfs/dbraw/zinc/41/05/92/927410592.db2.gz IIQAXMXKACKDBL-WCQYABFASA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001425729724 927412134 /nfs/dbraw/zinc/41/21/34/927412134.db2.gz IIQAXMXKACKDBL-DGCLKSJQSA-N 1 1 312.370 -1.120 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001425739181 927416250 /nfs/dbraw/zinc/41/62/50/927416250.db2.gz COGAKYZBRARXPQ-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1conc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425738208 927416377 /nfs/dbraw/zinc/41/63/77/927416377.db2.gz RRTVFYOZBKXHKR-AAEUAGOBSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1conc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425738208 927416386 /nfs/dbraw/zinc/41/63/86/927416386.db2.gz RRTVFYOZBKXHKR-AAEUAGOBSA-N 1 1 312.370 -1.120 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1)N1CCNC(=O)C1 ZINC001425743641 927418306 /nfs/dbraw/zinc/41/83/06/927418306.db2.gz LYTDSQPZPJRINW-NSHDSACASA-N 1 1 323.353 -2.347 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001425743977 927419845 /nfs/dbraw/zinc/41/98/45/927419845.db2.gz ZSYKYPHMVOSDEI-JQWIXIFHSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C)n[nH]1 ZINC001425747752 927421128 /nfs/dbraw/zinc/42/11/28/927421128.db2.gz QITOCJPABOOLQT-WCBMZHEXSA-N 1 1 312.374 -1.801 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001425747057 927421245 /nfs/dbraw/zinc/42/12/45/927421245.db2.gz XJAVQZSNXIHLKL-SNVBAGLBSA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001425748962 927422621 /nfs/dbraw/zinc/42/26/21/927422621.db2.gz BVFHOKHUMSSHSL-GHMZBOCLSA-N 1 1 320.357 -1.401 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001425753442 927424881 /nfs/dbraw/zinc/42/48/81/927424881.db2.gz OIHCYHHBVKBBMB-VIFPVBQESA-N 1 1 312.374 -1.439 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001425753442 927424888 /nfs/dbraw/zinc/42/48/88/927424888.db2.gz OIHCYHHBVKBBMB-VIFPVBQESA-N 1 1 312.374 -1.439 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001425751608 927425188 /nfs/dbraw/zinc/42/51/88/927425188.db2.gz GBPBGRSGAFXURI-IJLUTSLNSA-N 1 1 300.403 -1.519 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001425751608 927425196 /nfs/dbraw/zinc/42/51/96/927425196.db2.gz GBPBGRSGAFXURI-IJLUTSLNSA-N 1 1 300.403 -1.519 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn2c1CCC2 ZINC001425754782 927427684 /nfs/dbraw/zinc/42/76/84/927427684.db2.gz IOLHCTQFVCYNKU-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425760041 927429456 /nfs/dbraw/zinc/42/94/56/927429456.db2.gz OHJMYWIBBXCLBZ-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001425759394 927430467 /nfs/dbraw/zinc/43/04/67/927430467.db2.gz MUKQMOUHGKKBKP-NSHDSACASA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001425765131 927432735 /nfs/dbraw/zinc/43/27/35/927432735.db2.gz QFLWBHJXJOLTOC-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO O=C(NC[C@@H](CO)N[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001425764180 927433296 /nfs/dbraw/zinc/43/32/96/927433296.db2.gz BIKATFUBJDUFGV-QWHCGFSZSA-N 1 1 324.425 -1.182 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001425766527 927434537 /nfs/dbraw/zinc/43/45/37/927434537.db2.gz QQVLHLAILAVTQK-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001425766527 927434548 /nfs/dbraw/zinc/43/45/48/927434548.db2.gz QQVLHLAILAVTQK-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001425766524 927435321 /nfs/dbraw/zinc/43/53/21/927435321.db2.gz QQVLHLAILAVTQK-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001425766524 927435331 /nfs/dbraw/zinc/43/53/31/927435331.db2.gz QQVLHLAILAVTQK-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)cn1 ZINC001425769142 927436581 /nfs/dbraw/zinc/43/65/81/927436581.db2.gz ZWUAHAMRUXULRH-AAEUAGOBSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001425772681 927437267 /nfs/dbraw/zinc/43/72/67/927437267.db2.gz UIFKCAPLESZEEW-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001425775841 927440423 /nfs/dbraw/zinc/44/04/23/927440423.db2.gz NKIAPSXNHRZJDU-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cncn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425772687 927440669 /nfs/dbraw/zinc/44/06/69/927440669.db2.gz JSJUNQRLUXUXOO-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@@H]1CCC(=O)NC1 ZINC001425774087 927440717 /nfs/dbraw/zinc/44/07/17/927440717.db2.gz AWNOEMXJCQUYTH-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425796976 927449864 /nfs/dbraw/zinc/44/98/64/927449864.db2.gz KANCGPLKHGHTPZ-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425796993 927450065 /nfs/dbraw/zinc/45/00/65/927450065.db2.gz KANCGPLKHGHTPZ-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001425796851 927450857 /nfs/dbraw/zinc/45/08/57/927450857.db2.gz DMKIVLCWOBMKKU-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425801341 927453878 /nfs/dbraw/zinc/45/38/78/927453878.db2.gz RSZCOGUWPBFKGB-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425801341 927453887 /nfs/dbraw/zinc/45/38/87/927453887.db2.gz RSZCOGUWPBFKGB-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425801341 927453896 /nfs/dbraw/zinc/45/38/96/927453896.db2.gz RSZCOGUWPBFKGB-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425801332 927454159 /nfs/dbraw/zinc/45/41/59/927454159.db2.gz RSZCOGUWPBFKGB-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001425801332 927454164 /nfs/dbraw/zinc/45/41/64/927454164.db2.gz RSZCOGUWPBFKGB-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425801332 927454171 /nfs/dbraw/zinc/45/41/71/927454171.db2.gz RSZCOGUWPBFKGB-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)[nH]c1=O ZINC001425812330 927457173 /nfs/dbraw/zinc/45/71/73/927457173.db2.gz XXHAUMRMBIVIEQ-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NCc1ccon1 ZINC001425814680 927460987 /nfs/dbraw/zinc/46/09/87/927460987.db2.gz NVNJTHPVMVSWHF-ZDUSSCGKSA-N 1 1 312.370 -1.036 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425818934 927463618 /nfs/dbraw/zinc/46/36/18/927463618.db2.gz HPIRSMNLAXBSOX-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)cn1 ZINC001425822904 927463898 /nfs/dbraw/zinc/46/38/98/927463898.db2.gz AEPVHNKEVKGLQE-NSHDSACASA-N 1 1 305.342 -1.287 20 0 DAADMO Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)Cc2cnc[nH]2)cn1 ZINC001425825659 927466115 /nfs/dbraw/zinc/46/61/15/927466115.db2.gz PDJSULUPKGMJHH-CYBMUJFWSA-N 1 1 306.370 -1.005 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)Cc2cnc[nH]2)n1 ZINC001425829211 927466170 /nfs/dbraw/zinc/46/61/70/927466170.db2.gz SLIHUGTZZQVAFB-CYBMUJFWSA-N 1 1 321.385 -1.073 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425826875 927466277 /nfs/dbraw/zinc/46/62/77/927466277.db2.gz CRQCWTLOQHCVNK-NEPJUHHUSA-N 1 1 300.403 -1.469 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425826875 927466284 /nfs/dbraw/zinc/46/62/84/927466284.db2.gz CRQCWTLOQHCVNK-NEPJUHHUSA-N 1 1 300.403 -1.469 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cncn1C ZINC001425833114 927468193 /nfs/dbraw/zinc/46/81/93/927468193.db2.gz QIGDSCCKAQCKGP-RYUDHWBXSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cncn1C ZINC001425833118 927468838 /nfs/dbraw/zinc/46/88/38/927468838.db2.gz QIGDSCCKAQCKGP-VXGBXAGGSA-N 1 1 323.397 -1.079 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001425840337 927470754 /nfs/dbraw/zinc/47/07/54/927470754.db2.gz LSGBTLSOKNCLJG-STQMWFEESA-N 1 1 312.414 -1.182 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001425837673 927471591 /nfs/dbraw/zinc/47/15/91/927471591.db2.gz OOAIQVDUVMCPFG-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843099 927472686 /nfs/dbraw/zinc/47/26/86/927472686.db2.gz ZMPUVLSWHDTPLP-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843099 927472698 /nfs/dbraw/zinc/47/26/98/927472698.db2.gz ZMPUVLSWHDTPLP-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)c1cnn(C)c1 ZINC001425851149 927478246 /nfs/dbraw/zinc/47/82/46/927478246.db2.gz SCWNPMMZODPFPH-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)c1cnn(C)c1 ZINC001425851147 927479004 /nfs/dbraw/zinc/47/90/04/927479004.db2.gz SCWNPMMZODPFPH-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)n(C)c1=O ZINC001425855238 927479550 /nfs/dbraw/zinc/47/95/50/927479550.db2.gz MDCBBRPZLFLHBN-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)c1cnn(C)c1 ZINC001425851151 927479785 /nfs/dbraw/zinc/47/97/85/927479785.db2.gz SCWNPMMZODPFPH-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001425912511 927489047 /nfs/dbraw/zinc/48/90/47/927489047.db2.gz PPRGYPOIJUFBOJ-SCRDCRAPSA-N 1 1 324.385 -1.206 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001425976803 927490709 /nfs/dbraw/zinc/49/07/09/927490709.db2.gz YUBHXZGDPUCLAY-VIFPVBQESA-N 1 1 301.372 -1.417 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCOC1 ZINC001425977378 927492209 /nfs/dbraw/zinc/49/22/09/927492209.db2.gz AUUKOZRHEDWDQE-QWRGUYRKSA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@@H](O)CNCc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425978307 927493861 /nfs/dbraw/zinc/49/38/61/927493861.db2.gz CZCIXZPFDFITGY-NWDGAFQWSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001425981514 927494127 /nfs/dbraw/zinc/49/41/27/927494127.db2.gz LNNQJCUNNXYOPD-VIFPVBQESA-N 1 1 315.399 -1.027 20 0 DAADMO CN(C[C@H](O)CNCc1ncnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425978304 927494336 /nfs/dbraw/zinc/49/43/36/927494336.db2.gz CZCIXZPFDFITGY-NEPJUHHUSA-N 1 1 310.402 -1.182 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccc(=O)[nH]n2)[nH]1 ZINC001425981110 927495061 /nfs/dbraw/zinc/49/50/61/927495061.db2.gz JXNAPTJAYJLDHD-VIFPVBQESA-N 1 1 321.341 -1.169 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)nnn1C ZINC001425992829 927496304 /nfs/dbraw/zinc/49/63/04/927496304.db2.gz XMZHFGYXAUSRNV-NSHDSACASA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)nnn1C ZINC001425992825 927496650 /nfs/dbraw/zinc/49/66/50/927496650.db2.gz XMZHFGYXAUSRNV-LLVKDONJSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CCc1nnc[nH]1 ZINC001425988082 927496776 /nfs/dbraw/zinc/49/67/76/927496776.db2.gz PRBVWIAJWCVKJH-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cncnc1 ZINC001425995016 927497160 /nfs/dbraw/zinc/49/71/60/927497160.db2.gz GBIJZADMLUVUEN-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001425991476 927497854 /nfs/dbraw/zinc/49/78/54/927497854.db2.gz VOYHUCDXFQOABZ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001426011155 927503092 /nfs/dbraw/zinc/50/30/92/927503092.db2.gz FYJWASAEKIDHGT-RKDXNWHRSA-N 1 1 313.362 -2.370 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001426012727 927503172 /nfs/dbraw/zinc/50/31/72/927503172.db2.gz WEUZFMQTBVXHDM-GHMZBOCLSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001426012730 927503217 /nfs/dbraw/zinc/50/32/17/927503217.db2.gz WEUZFMQTBVXHDM-WDEREUQCSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001426012729 927503631 /nfs/dbraw/zinc/50/36/31/927503631.db2.gz WEUZFMQTBVXHDM-QWRGUYRKSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ncn(C)n2)[nH]1 ZINC001426010099 927503743 /nfs/dbraw/zinc/50/37/43/927503743.db2.gz QLSVETJVUKYRLU-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001426017861 927505501 /nfs/dbraw/zinc/50/55/01/927505501.db2.gz ZQQQJZCXNIXGDS-WCBMZHEXSA-N 1 1 313.314 -1.605 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2cnnn2)no1 ZINC001426021415 927509595 /nfs/dbraw/zinc/50/95/95/927509595.db2.gz DJFIRFUBNABLTD-LBPRGKRZSA-N 1 1 323.357 -1.031 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426034001 927511158 /nfs/dbraw/zinc/51/11/58/927511158.db2.gz XNQZYBGNFYOFOC-SCZZXKLOSA-N 1 1 312.330 -2.032 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001426033182 927511666 /nfs/dbraw/zinc/51/16/66/927511666.db2.gz MMUYNHCJDMMWBV-SNVBAGLBSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnn(C)n1 ZINC001426029641 927511910 /nfs/dbraw/zinc/51/19/10/927511910.db2.gz FCJOKYATIXSVGJ-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001426035556 927515686 /nfs/dbraw/zinc/51/56/86/927515686.db2.gz PLUHKGKFUCSHKY-JTQLQIEISA-N 1 1 323.357 -1.342 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001426056291 927516815 /nfs/dbraw/zinc/51/68/15/927516815.db2.gz AETGSTPZKHQFPE-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001426056291 927516823 /nfs/dbraw/zinc/51/68/23/927516823.db2.gz AETGSTPZKHQFPE-LLVKDONJSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001426055937 927517292 /nfs/dbraw/zinc/51/72/92/927517292.db2.gz IWEKUQKGOPNBNA-NWDGAFQWSA-N 1 1 316.402 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001426055937 927517306 /nfs/dbraw/zinc/51/73/06/927517306.db2.gz IWEKUQKGOPNBNA-NWDGAFQWSA-N 1 1 316.402 -2.186 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001426053038 927518900 /nfs/dbraw/zinc/51/89/00/927518900.db2.gz MSUOTEOHOGCNMZ-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001426061482 927520039 /nfs/dbraw/zinc/52/00/39/927520039.db2.gz NYBSMSHGSVHNGG-MWLCHTKSSA-N 1 1 324.385 -1.745 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001426063907 927520271 /nfs/dbraw/zinc/52/02/71/927520271.db2.gz PRVPLCXYCXLOKT-VXGBXAGGSA-N 1 1 312.370 -1.151 20 0 DAADMO COCCN(CCNC(=O)c1nnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426061974 927520512 /nfs/dbraw/zinc/52/05/12/927520512.db2.gz GBBLLBRUFRITGQ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426061974 927520521 /nfs/dbraw/zinc/52/05/21/927520521.db2.gz GBBLLBRUFRITGQ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426061974 927520527 /nfs/dbraw/zinc/52/05/27/927520527.db2.gz GBBLLBRUFRITGQ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426061974 927520537 /nfs/dbraw/zinc/52/05/37/927520537.db2.gz GBBLLBRUFRITGQ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426061974 927520545 /nfs/dbraw/zinc/52/05/45/927520545.db2.gz GBBLLBRUFRITGQ-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001426062371 927520773 /nfs/dbraw/zinc/52/07/73/927520773.db2.gz QIOCPVKUMRBBTP-SECBINFHSA-N 1 1 304.347 -2.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001426062371 927520779 /nfs/dbraw/zinc/52/07/79/927520779.db2.gz QIOCPVKUMRBBTP-SECBINFHSA-N 1 1 304.347 -2.161 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001426060711 927521421 /nfs/dbraw/zinc/52/14/21/927521421.db2.gz LXWRXANAWDAKTB-UWVGGRQHSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001426060711 927521434 /nfs/dbraw/zinc/52/14/34/927521434.db2.gz LXWRXANAWDAKTB-UWVGGRQHSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001426060708 927521934 /nfs/dbraw/zinc/52/19/34/927521934.db2.gz LXWRXANAWDAKTB-NXEZZACHSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001426060708 927521945 /nfs/dbraw/zinc/52/19/45/927521945.db2.gz LXWRXANAWDAKTB-NXEZZACHSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001426062569 927522158 /nfs/dbraw/zinc/52/21/58/927522158.db2.gz ANPLUAXNFGSUIO-LBPRGKRZSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001426058437 927522515 /nfs/dbraw/zinc/52/25/15/927522515.db2.gz ILKRCUXQZIVAQC-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001426058437 927522520 /nfs/dbraw/zinc/52/25/20/927522520.db2.gz ILKRCUXQZIVAQC-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001426068058 927522662 /nfs/dbraw/zinc/52/26/62/927522662.db2.gz ONBSDOZNGPRRAK-LBPRGKRZSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001426068058 927522669 /nfs/dbraw/zinc/52/26/69/927522669.db2.gz ONBSDOZNGPRRAK-LBPRGKRZSA-N 1 1 324.381 -1.504 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)[nH]n1 ZINC001426063613 927522788 /nfs/dbraw/zinc/52/27/88/927522788.db2.gz STZDBLDRVJNUBG-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001426063613 927522800 /nfs/dbraw/zinc/52/28/00/927522800.db2.gz STZDBLDRVJNUBG-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n[nH]1 ZINC001426063613 927522812 /nfs/dbraw/zinc/52/28/12/927522812.db2.gz STZDBLDRVJNUBG-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001426059990 927522896 /nfs/dbraw/zinc/52/28/96/927522896.db2.gz MNTYZEFRWSMYIC-NEPJUHHUSA-N 1 1 300.359 -1.218 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001426073317 927524411 /nfs/dbraw/zinc/52/44/11/927524411.db2.gz SCFYLEIYOQNRCS-WDEREUQCSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001426073317 927524417 /nfs/dbraw/zinc/52/44/17/927524417.db2.gz SCFYLEIYOQNRCS-WDEREUQCSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)CC1CS(=O)(=O)C1 ZINC001426070519 927524438 /nfs/dbraw/zinc/52/44/38/927524438.db2.gz YMKFYXWMIRBBQP-GFCCVEGCSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CC1CS(=O)(=O)C1 ZINC001426070519 927524445 /nfs/dbraw/zinc/52/44/45/927524445.db2.gz YMKFYXWMIRBBQP-GFCCVEGCSA-N 1 1 322.427 -1.445 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC ZINC001426073315 927524605 /nfs/dbraw/zinc/52/46/05/927524605.db2.gz SCFYLEIYOQNRCS-MNOVXSKESA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001426073315 927524614 /nfs/dbraw/zinc/52/46/14/927524614.db2.gz SCFYLEIYOQNRCS-MNOVXSKESA-N 1 1 316.402 -1.602 20 0 DAADMO Cc1ncc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001426076873 927525161 /nfs/dbraw/zinc/52/51/61/927525161.db2.gz XIISEYGORNGLFD-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1ncc(C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001426076873 927525169 /nfs/dbraw/zinc/52/51/69/927525169.db2.gz XIISEYGORNGLFD-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO COC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075349 927525942 /nfs/dbraw/zinc/52/59/42/927525942.db2.gz VQKNBXDOJFMEAB-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075349 927525952 /nfs/dbraw/zinc/52/59/52/927525952.db2.gz VQKNBXDOJFMEAB-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cnnn1C ZINC001426072842 927526126 /nfs/dbraw/zinc/52/61/26/927526126.db2.gz FZQLBSVJCHKEBF-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cnnn1C ZINC001426072842 927526132 /nfs/dbraw/zinc/52/61/32/927526132.db2.gz FZQLBSVJCHKEBF-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001426069977 927526270 /nfs/dbraw/zinc/52/62/70/927526270.db2.gz KXRKAJXYRBVQMI-QWRGUYRKSA-N 1 1 309.370 -1.327 20 0 DAADMO CC(C)[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077290 927526504 /nfs/dbraw/zinc/52/65/04/927526504.db2.gz BALHCGNDAMCMFC-GXSJLCMTSA-N 1 1 320.365 -1.074 20 0 DAADMO CC(C)[C@@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077290 927526514 /nfs/dbraw/zinc/52/65/14/927526514.db2.gz BALHCGNDAMCMFC-GXSJLCMTSA-N 1 1 320.365 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426084765 927526858 /nfs/dbraw/zinc/52/68/58/927526858.db2.gz KTEIVYKRMVLLAT-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426084765 927526876 /nfs/dbraw/zinc/52/68/76/927526876.db2.gz KTEIVYKRMVLLAT-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087609 927527245 /nfs/dbraw/zinc/52/72/45/927527245.db2.gz UZXMLGOBANQHTK-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001426080883 927527382 /nfs/dbraw/zinc/52/73/82/927527382.db2.gz JTMPQCLZPPEBOU-MRVPVSSYSA-N 1 1 319.387 -1.558 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001426081860 927527725 /nfs/dbraw/zinc/52/77/25/927527725.db2.gz BGVFWCXGVVTAQF-MNOVXSKESA-N 1 1 315.374 -1.813 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001426081658 927527901 /nfs/dbraw/zinc/52/79/01/927527901.db2.gz WKJMUTSGHKWEIQ-SNVBAGLBSA-N 1 1 312.374 -1.464 20 0 DAADMO CC[C@@H](C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1)OC ZINC001426082542 927527928 /nfs/dbraw/zinc/52/79/28/927527928.db2.gz WFERUNLRUUKREP-QWRGUYRKSA-N 1 1 314.390 -1.000 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001426081389 927528082 /nfs/dbraw/zinc/52/80/82/927528082.db2.gz KYSNCEMDXRZMOX-YPMHNXCESA-N 1 1 313.402 -1.120 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001426081117 927528205 /nfs/dbraw/zinc/52/82/05/927528205.db2.gz RLKJYZUHMQQRFL-VHSXEESVSA-N 1 1 310.358 -1.634 20 0 DAADMO CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001426078651 927528288 /nfs/dbraw/zinc/52/82/88/927528288.db2.gz HNEZYWWLRYZSRX-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)nn1C ZINC001426086720 927528331 /nfs/dbraw/zinc/52/83/31/927528331.db2.gz AJKSXCIWGABQNV-SNVBAGLBSA-N 1 1 300.359 -1.214 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)nn1C ZINC001426086716 927528934 /nfs/dbraw/zinc/52/89/34/927528934.db2.gz AJKSXCIWGABQNV-JTQLQIEISA-N 1 1 300.359 -1.214 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088309 927529104 /nfs/dbraw/zinc/52/91/04/927529104.db2.gz QFCGAPGAOBPCPS-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088309 927529111 /nfs/dbraw/zinc/52/91/11/927529111.db2.gz QFCGAPGAOBPCPS-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001426082956 927529390 /nfs/dbraw/zinc/52/93/90/927529390.db2.gz AQQCJQZFYYHEAR-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001426082956 927529403 /nfs/dbraw/zinc/52/94/03/927529403.db2.gz AQQCJQZFYYHEAR-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090683 927529480 /nfs/dbraw/zinc/52/94/80/927529480.db2.gz UBERBMONNOEWIA-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090683 927529491 /nfs/dbraw/zinc/52/94/91/927529491.db2.gz UBERBMONNOEWIA-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426084784 927529773 /nfs/dbraw/zinc/52/97/73/927529773.db2.gz KTEIVYKRMVLLAT-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426084784 927529784 /nfs/dbraw/zinc/52/97/84/927529784.db2.gz KTEIVYKRMVLLAT-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088324 927529824 /nfs/dbraw/zinc/52/98/24/927529824.db2.gz QFCGAPGAOBPCPS-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088324 927529835 /nfs/dbraw/zinc/52/98/35/927529835.db2.gz QFCGAPGAOBPCPS-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)c1cn[nH]n1 ZINC001426095962 927530782 /nfs/dbraw/zinc/53/07/82/927530782.db2.gz MWTOWQIAERBFGZ-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001426099382 927530861 /nfs/dbraw/zinc/53/08/61/927530861.db2.gz SYJCGFYFQLAEHQ-JTQLQIEISA-N 1 1 315.374 -2.362 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCNC1=O ZINC001426099382 927530871 /nfs/dbraw/zinc/53/08/71/927530871.db2.gz SYJCGFYFQLAEHQ-JTQLQIEISA-N 1 1 315.374 -2.362 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426092256 927530921 /nfs/dbraw/zinc/53/09/21/927530921.db2.gz AXLGHJMXMQWFQG-LLVKDONJSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426092256 927530929 /nfs/dbraw/zinc/53/09/29/927530929.db2.gz AXLGHJMXMQWFQG-LLVKDONJSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001426104522 927531005 /nfs/dbraw/zinc/53/10/05/927531005.db2.gz UMYKDRPREAHRLA-VIFPVBQESA-N 1 1 303.363 -2.458 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001426104522 927531013 /nfs/dbraw/zinc/53/10/13/927531013.db2.gz UMYKDRPREAHRLA-VIFPVBQESA-N 1 1 303.363 -2.458 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001426095140 927531070 /nfs/dbraw/zinc/53/10/70/927531070.db2.gz FYGNWRBNQDSYPP-JTQLQIEISA-N 1 1 322.369 -1.227 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001426095140 927531078 /nfs/dbraw/zinc/53/10/78/927531078.db2.gz FYGNWRBNQDSYPP-JTQLQIEISA-N 1 1 322.369 -1.227 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001426103066 927531161 /nfs/dbraw/zinc/53/11/61/927531161.db2.gz QZRHLZBLNLICIL-NSHDSACASA-N 1 1 322.369 -1.338 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001426104974 927532583 /nfs/dbraw/zinc/53/25/83/927532583.db2.gz VPZFLTJULOOUJZ-QWHCGFSZSA-N 1 1 312.370 -1.151 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCNC1=O ZINC001426169381 927535092 /nfs/dbraw/zinc/53/50/92/927535092.db2.gz QDNLRKVODZAJER-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCNC1=O ZINC001426169381 927535097 /nfs/dbraw/zinc/53/50/97/927535097.db2.gz QDNLRKVODZAJER-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCCNC1=O ZINC001426165599 927535812 /nfs/dbraw/zinc/53/58/12/927535812.db2.gz QJJGNHATLRJXND-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCCNC1=O ZINC001426165599 927535827 /nfs/dbraw/zinc/53/58/27/927535827.db2.gz QJJGNHATLRJXND-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426335075 927539053 /nfs/dbraw/zinc/53/90/53/927539053.db2.gz OUZUBCOINBBJDL-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001426516190 927548715 /nfs/dbraw/zinc/54/87/15/927548715.db2.gz ZJZIYGYHXZKHCI-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001426516190 927548726 /nfs/dbraw/zinc/54/87/26/927548726.db2.gz ZJZIYGYHXZKHCI-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001426523582 927550359 /nfs/dbraw/zinc/55/03/59/927550359.db2.gz UVJUYCKTTUFVFN-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001426520852 927550884 /nfs/dbraw/zinc/55/08/84/927550884.db2.gz LQGCAVKGJJXRMO-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001426527674 927550979 /nfs/dbraw/zinc/55/09/79/927550979.db2.gz PYVQNWMISUUHGZ-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001426527674 927550991 /nfs/dbraw/zinc/55/09/91/927550991.db2.gz PYVQNWMISUUHGZ-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001426532125 927552319 /nfs/dbraw/zinc/55/23/19/927552319.db2.gz DLFXZMXBZSMPSX-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001426532125 927552325 /nfs/dbraw/zinc/55/23/25/927552325.db2.gz DLFXZMXBZSMPSX-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001426532125 927552334 /nfs/dbraw/zinc/55/23/34/927552334.db2.gz DLFXZMXBZSMPSX-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001426547226 927555232 /nfs/dbraw/zinc/55/52/32/927555232.db2.gz OICGXOLRPQSEKV-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001426547226 927555236 /nfs/dbraw/zinc/55/52/36/927555236.db2.gz OICGXOLRPQSEKV-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001426547226 927555240 /nfs/dbraw/zinc/55/52/40/927555240.db2.gz OICGXOLRPQSEKV-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001426578606 927555777 /nfs/dbraw/zinc/55/57/77/927555777.db2.gz YWSBJPSCTLSDHJ-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426563717 927556438 /nfs/dbraw/zinc/55/64/38/927556438.db2.gz JZHPQMKGVIFYBJ-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426563717 927556447 /nfs/dbraw/zinc/55/64/47/927556447.db2.gz JZHPQMKGVIFYBJ-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001426635880 927562764 /nfs/dbraw/zinc/56/27/64/927562764.db2.gz QYEYIKUMLSILIG-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001426662004 927568139 /nfs/dbraw/zinc/56/81/39/927568139.db2.gz GMPDJGFYYUXBPT-MNOVXSKESA-N 1 1 310.358 -1.554 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001426674580 927570615 /nfs/dbraw/zinc/57/06/15/927570615.db2.gz VDSDPAWPDCFEGE-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001426671301 927570746 /nfs/dbraw/zinc/57/07/46/927570746.db2.gz NBQYSIHFHRZLJE-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)C1 ZINC001426677464 927572229 /nfs/dbraw/zinc/57/22/29/927572229.db2.gz QKGHGJOMLOARHW-GRYCIOLGSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)C1 ZINC001426677464 927572243 /nfs/dbraw/zinc/57/22/43/927572243.db2.gz QKGHGJOMLOARHW-GRYCIOLGSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)C1 ZINC001426677469 927573151 /nfs/dbraw/zinc/57/31/51/927573151.db2.gz QKGHGJOMLOARHW-WOPDTQHZSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CCCF)[C@@H](O)C2)C1 ZINC001426677469 927573159 /nfs/dbraw/zinc/57/31/59/927573159.db2.gz QKGHGJOMLOARHW-WOPDTQHZSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001426850896 927581505 /nfs/dbraw/zinc/58/15/05/927581505.db2.gz AUAMDOIMSLEXLE-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1(CO)COC1 ZINC001426878692 927586540 /nfs/dbraw/zinc/58/65/40/927586540.db2.gz HAXGCIFKKBDXNC-GFCCVEGCSA-N 1 1 300.403 -1.070 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001426908597 927589215 /nfs/dbraw/zinc/58/92/15/927589215.db2.gz NOUHHBHGRRTQHQ-NSHDSACASA-N 1 1 313.402 -1.746 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(O)(CO)CC1 ZINC001426907524 927589283 /nfs/dbraw/zinc/58/92/83/927589283.db2.gz KHOVZIRJQKTUJU-LBPRGKRZSA-N 1 1 300.403 -1.239 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001427028125 927591519 /nfs/dbraw/zinc/59/15/19/927591519.db2.gz HENFODLBBSZBIG-NXEZZACHSA-N 1 1 311.386 -1.431 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001427103611 927595562 /nfs/dbraw/zinc/59/55/62/927595562.db2.gz QNBUDMJKBWFDDP-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001427103611 927595572 /nfs/dbraw/zinc/59/55/72/927595572.db2.gz QNBUDMJKBWFDDP-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001427103612 927595928 /nfs/dbraw/zinc/59/59/28/927595928.db2.gz QNBUDMJKBWFDDP-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001427103612 927595935 /nfs/dbraw/zinc/59/59/35/927595935.db2.gz QNBUDMJKBWFDDP-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001427326706 927606574 /nfs/dbraw/zinc/60/65/74/927606574.db2.gz OLPMSGLUMNYFAK-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001427361332 927606850 /nfs/dbraw/zinc/60/68/50/927606850.db2.gz VMNDEYQLYQWYRB-JTQLQIEISA-N 1 1 322.431 -1.320 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001427384994 927608893 /nfs/dbraw/zinc/60/88/93/927608893.db2.gz MKPYIVZJZWHBPT-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1nnc2n1CCOC2 ZINC001427456025 927612459 /nfs/dbraw/zinc/61/24/59/927612459.db2.gz UTVVEPPYTHIUOQ-JTQLQIEISA-N 1 1 310.358 -1.326 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516686 927615953 /nfs/dbraw/zinc/61/59/53/927615953.db2.gz UPHZJOIDTNLGRG-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516686 927615958 /nfs/dbraw/zinc/61/59/58/927615958.db2.gz UPHZJOIDTNLGRG-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516684 927616096 /nfs/dbraw/zinc/61/60/96/927616096.db2.gz UPHZJOIDTNLGRG-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516684 927616098 /nfs/dbraw/zinc/61/60/98/927616098.db2.gz UPHZJOIDTNLGRG-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001427590979 927619612 /nfs/dbraw/zinc/61/96/12/927619612.db2.gz RRAUQSANVICWHU-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001427650903 927623177 /nfs/dbraw/zinc/62/31/77/927623177.db2.gz VAXAXIASSLKXPV-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC001427649804 927623267 /nfs/dbraw/zinc/62/32/67/927623267.db2.gz TVFTUUAQEOXLQZ-NSHDSACASA-N 1 1 322.431 -1.414 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC001427649804 927623275 /nfs/dbraw/zinc/62/32/75/927623275.db2.gz TVFTUUAQEOXLQZ-NSHDSACASA-N 1 1 322.431 -1.414 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001427672241 927625225 /nfs/dbraw/zinc/62/52/25/927625225.db2.gz GLYGHYHHQXDMFU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC(=O)NC[C@H](CO)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001427726273 927629677 /nfs/dbraw/zinc/62/96/77/927629677.db2.gz DPPNHRAFEQMFSC-VXGBXAGGSA-N 1 1 311.386 -1.183 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001427743556 927641166 /nfs/dbraw/zinc/64/11/66/927641166.db2.gz FEKJBBAAVWSHHS-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001427745858 927641228 /nfs/dbraw/zinc/64/12/28/927641228.db2.gz PDOBPAMLRUAVPW-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001427745858 927641241 /nfs/dbraw/zinc/64/12/41/927641241.db2.gz PDOBPAMLRUAVPW-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001427759958 927648704 /nfs/dbraw/zinc/64/87/04/927648704.db2.gz LTDZLIMTGBCAGL-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001427764058 927652371 /nfs/dbraw/zinc/65/23/71/927652371.db2.gz SVCSRGZHZLVWIM-ADEWGFFLSA-N 1 1 309.370 -1.043 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ccnn1C ZINC001427778728 927659416 /nfs/dbraw/zinc/65/94/16/927659416.db2.gz NRPWNRDKVBOWFI-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001427776284 927659563 /nfs/dbraw/zinc/65/95/63/927659563.db2.gz JSNQFJJGSLKGPY-SCZZXKLOSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001427776284 927659570 /nfs/dbraw/zinc/65/95/70/927659570.db2.gz JSNQFJJGSLKGPY-SCZZXKLOSA-N 1 1 313.314 -2.393 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cncnc1 ZINC001427785914 927664636 /nfs/dbraw/zinc/66/46/36/927664636.db2.gz BUDVBUADYPHCME-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO Cn1nccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001427786430 927665693 /nfs/dbraw/zinc/66/56/93/927665693.db2.gz VUTGCXGZWOQVGE-MNOVXSKESA-N 1 1 309.370 -1.279 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn(C)cn2)CC[N@H+]1C ZINC001427788641 927666338 /nfs/dbraw/zinc/66/63/38/927666338.db2.gz SEDGSYKMRWMQRD-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)C1 ZINC001427820227 927679072 /nfs/dbraw/zinc/67/90/72/927679072.db2.gz CQSAPZIDSHPRLQ-QWRGUYRKSA-N 1 1 310.358 -2.177 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(F)F)C1 ZINC001427815706 927679967 /nfs/dbraw/zinc/67/99/67/927679967.db2.gz GLZJSPPGPPHEIN-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(F)F)C1 ZINC001427815706 927679977 /nfs/dbraw/zinc/67/99/77/927679977.db2.gz GLZJSPPGPPHEIN-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001427825072 927681195 /nfs/dbraw/zinc/68/11/95/927681195.db2.gz LEPFWBWFZKNQEW-CMPLNLGQSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2ncnn2)C1 ZINC001427824445 927681252 /nfs/dbraw/zinc/68/12/52/927681252.db2.gz OJPLQEZYYIDLBR-UWVGGRQHSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001427825118 927681396 /nfs/dbraw/zinc/68/13/96/927681396.db2.gz LEPFWBWFZKNQEW-ZYHUDNBSSA-N 1 1 307.354 -1.365 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001427822599 927681482 /nfs/dbraw/zinc/68/14/82/927681482.db2.gz AWXLSVLIPQURNC-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822599 927681490 /nfs/dbraw/zinc/68/14/90/927681490.db2.gz AWXLSVLIPQURNC-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822599 927681497 /nfs/dbraw/zinc/68/14/97/927681497.db2.gz AWXLSVLIPQURNC-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001427822601 927681632 /nfs/dbraw/zinc/68/16/32/927681632.db2.gz AWXLSVLIPQURNC-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822601 927681638 /nfs/dbraw/zinc/68/16/38/927681638.db2.gz AWXLSVLIPQURNC-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822601 927681642 /nfs/dbraw/zinc/68/16/42/927681642.db2.gz AWXLSVLIPQURNC-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001427821956 927682284 /nfs/dbraw/zinc/68/22/84/927682284.db2.gz GDRMSESJGXCRKF-NEPJUHHUSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001427821417 927682430 /nfs/dbraw/zinc/68/24/30/927682430.db2.gz DXFLBSDRPLPBGJ-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001427825088 927682567 /nfs/dbraw/zinc/68/25/67/927682567.db2.gz LEPFWBWFZKNQEW-JQWIXIFHSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001427828821 927684496 /nfs/dbraw/zinc/68/44/96/927684496.db2.gz OLZLKPLWLZIYSA-WDEREUQCSA-N 1 1 323.353 -1.937 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835186 927686158 /nfs/dbraw/zinc/68/61/58/927686158.db2.gz YOGFRPGSMDMIBV-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835186 927686166 /nfs/dbraw/zinc/68/61/66/927686166.db2.gz YOGFRPGSMDMIBV-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cn[nH]n2)C1 ZINC001427833426 927686985 /nfs/dbraw/zinc/68/69/85/927686985.db2.gz VCQODQPCRDJNOI-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833426 927686996 /nfs/dbraw/zinc/68/69/96/927686996.db2.gz VCQODQPCRDJNOI-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833426 927687005 /nfs/dbraw/zinc/68/70/05/927687005.db2.gz VCQODQPCRDJNOI-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833426 927687012 /nfs/dbraw/zinc/68/70/12/927687012.db2.gz VCQODQPCRDJNOI-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833426 927687017 /nfs/dbraw/zinc/68/70/17/927687017.db2.gz VCQODQPCRDJNOI-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001427834366 927687644 /nfs/dbraw/zinc/68/76/44/927687644.db2.gz XMHSQWNYVVEQRM-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427834989 927687700 /nfs/dbraw/zinc/68/77/00/927687700.db2.gz YFUUOYPFVOCTPE-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001427835170 927687889 /nfs/dbraw/zinc/68/78/89/927687889.db2.gz YNTGSEQVPFEGJW-DGCLKSJQSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001427846435 927688638 /nfs/dbraw/zinc/68/86/38/927688638.db2.gz AHMJEIADASMXLZ-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1nonc1C ZINC001427850445 927691567 /nfs/dbraw/zinc/69/15/67/927691567.db2.gz LAWYNIMBNIGNEW-JTQLQIEISA-N 1 1 313.358 -1.073 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn1ccnc1)C1CCC1 ZINC001427856597 927691610 /nfs/dbraw/zinc/69/16/10/927691610.db2.gz YSQDZCXXQGEKQS-LBPRGKRZSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001427872061 927696182 /nfs/dbraw/zinc/69/61/82/927696182.db2.gz ZRUAHZOIVYYEQO-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001427875917 927696688 /nfs/dbraw/zinc/69/66/88/927696688.db2.gz MUAMVQJRFSQRCF-GHMZBOCLSA-N 1 1 323.353 -1.937 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cnnn1C ZINC001427875154 927697561 /nfs/dbraw/zinc/69/75/61/927697561.db2.gz KYJITMZFKDTZEE-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001427890269 927699609 /nfs/dbraw/zinc/69/96/09/927699609.db2.gz GOIGNLZHEIQGEZ-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890269 927699615 /nfs/dbraw/zinc/69/96/15/927699615.db2.gz GOIGNLZHEIQGEZ-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890269 927699623 /nfs/dbraw/zinc/69/96/23/927699623.db2.gz GOIGNLZHEIQGEZ-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2csnn2)C1 ZINC001427892132 927701882 /nfs/dbraw/zinc/70/18/82/927701882.db2.gz DVPUJHUSUGAMFQ-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427910716 927703856 /nfs/dbraw/zinc/70/38/56/927703856.db2.gz AQUXYJOOUVHQFA-WDEREUQCSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427910709 927704301 /nfs/dbraw/zinc/70/43/01/927704301.db2.gz AQUXYJOOUVHQFA-GHMZBOCLSA-N 1 1 300.359 -2.190 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001427909908 927704589 /nfs/dbraw/zinc/70/45/89/927704589.db2.gz PAFITURJQFKTEQ-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cnn(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001427928079 927712105 /nfs/dbraw/zinc/71/21/05/927712105.db2.gz RFGNJBQPPXLGDR-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001427958539 927719658 /nfs/dbraw/zinc/71/96/58/927719658.db2.gz DBLLFTASSLETNB-NMKXLXIOSA-N 1 1 313.398 -1.186 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1ncn(C)n1 ZINC001427965529 927722116 /nfs/dbraw/zinc/72/21/16/927722116.db2.gz LNJZFPRJLFCBRG-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001427967265 927723127 /nfs/dbraw/zinc/72/31/27/927723127.db2.gz DAKBKRZFYAKZEM-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnnn2C)C1 ZINC001427976072 927724538 /nfs/dbraw/zinc/72/45/38/927724538.db2.gz RLCZUHVZBNOFGT-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnnn2C)C1 ZINC001427976059 927725612 /nfs/dbraw/zinc/72/56/12/927725612.db2.gz RLCZUHVZBNOFGT-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(F)F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428179374 927746984 /nfs/dbraw/zinc/74/69/84/927746984.db2.gz WOPYNZBZKIAWNP-RKDXNWHRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(F)F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428179374 927746988 /nfs/dbraw/zinc/74/69/88/927746988.db2.gz WOPYNZBZKIAWNP-RKDXNWHRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnnn1C ZINC001428179173 927748048 /nfs/dbraw/zinc/74/80/48/927748048.db2.gz KWGVZIYOIVCZJH-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428195606 927752115 /nfs/dbraw/zinc/75/21/15/927752115.db2.gz CPSYKHDEFDGXJX-VXGBXAGGSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428195571 927752771 /nfs/dbraw/zinc/75/27/71/927752771.db2.gz CPSYKHDEFDGXJX-NEPJUHHUSA-N 1 1 321.381 -1.023 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)C1 ZINC001428200582 927753712 /nfs/dbraw/zinc/75/37/12/927753712.db2.gz VQDJXHGEKSRALA-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)C1 ZINC001428200582 927753724 /nfs/dbraw/zinc/75/37/24/927753724.db2.gz VQDJXHGEKSRALA-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)C1 ZINC001428200585 927754697 /nfs/dbraw/zinc/75/46/97/927754697.db2.gz VQDJXHGEKSRALA-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)C1 ZINC001428200585 927754709 /nfs/dbraw/zinc/75/47/09/927754709.db2.gz VQDJXHGEKSRALA-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428206112 927755159 /nfs/dbraw/zinc/75/51/59/927755159.db2.gz SDPJJOMKXAWFCI-OLZOCXBDSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428206115 927755310 /nfs/dbraw/zinc/75/53/10/927755310.db2.gz SDPJJOMKXAWFCI-STQMWFEESA-N 1 1 323.397 -1.230 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001428209099 927756208 /nfs/dbraw/zinc/75/62/08/927756208.db2.gz GPAONFHWWCJFQW-GMTAPVOTSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221407 927759533 /nfs/dbraw/zinc/75/95/33/927759533.db2.gz UVASOZUOEUXWCJ-STQMWFEESA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221407 927759543 /nfs/dbraw/zinc/75/95/43/927759543.db2.gz UVASOZUOEUXWCJ-STQMWFEESA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)c1nc[nH]n1 ZINC001428238555 927762041 /nfs/dbraw/zinc/76/20/41/927762041.db2.gz UGPNZRVTDXJFTC-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccncn1 ZINC001428240772 927763725 /nfs/dbraw/zinc/76/37/25/927763725.db2.gz LCKSLKGWGGBJGO-VXGBXAGGSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001428253515 927766030 /nfs/dbraw/zinc/76/60/30/927766030.db2.gz COQCDQJCFKOXBU-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001428261146 927768770 /nfs/dbraw/zinc/76/87/70/927768770.db2.gz PXBVTLSTPXVVKF-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCN(CCNC(=O)COC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428392745 927776054 /nfs/dbraw/zinc/77/60/54/927776054.db2.gz UFKXNZUNXVXKSK-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCN(CCNC(=O)COC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428392745 927776060 /nfs/dbraw/zinc/77/60/60/927776060.db2.gz UFKXNZUNXVXKSK-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001428439793 927780033 /nfs/dbraw/zinc/78/00/33/927780033.db2.gz MYJQUAUJSZAAJH-JYAVWHMHSA-N 1 1 319.365 -1.099 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428504202 927783608 /nfs/dbraw/zinc/78/36/08/927783608.db2.gz JYDUMCINGFDKPC-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428504202 927783620 /nfs/dbraw/zinc/78/36/20/927783620.db2.gz JYDUMCINGFDKPC-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001428599409 927787441 /nfs/dbraw/zinc/78/74/41/927787441.db2.gz VXZRLCQFHWQXLM-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428719340 927796815 /nfs/dbraw/zinc/79/68/15/927796815.db2.gz UBRPDMRINUCCNG-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428719340 927796823 /nfs/dbraw/zinc/79/68/23/927796823.db2.gz UBRPDMRINUCCNG-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001428711236 927797212 /nfs/dbraw/zinc/79/72/12/927797212.db2.gz MDAJTNZHHOEOER-SECBINFHSA-N 1 1 310.358 -1.259 20 0 DAADMO C[C@H](CNC(=O)c1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428697551 927797829 /nfs/dbraw/zinc/79/78/29/927797829.db2.gz SJIAPEFEGOJYHH-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428697551 927797841 /nfs/dbraw/zinc/79/78/41/927797841.db2.gz SJIAPEFEGOJYHH-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001428797830 927807733 /nfs/dbraw/zinc/80/77/33/927807733.db2.gz NVEBBUDYGLIEDL-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001428836783 927816053 /nfs/dbraw/zinc/81/60/53/927816053.db2.gz VIDDCHBLLZFQSU-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nnn(C)n1 ZINC001429205000 927846944 /nfs/dbraw/zinc/84/69/44/927846944.db2.gz VQLJJNRBNBMXHP-SECBINFHSA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nnn(C)n1 ZINC001429205000 927846958 /nfs/dbraw/zinc/84/69/58/927846958.db2.gz VQLJJNRBNBMXHP-SECBINFHSA-N 1 1 311.346 -2.271 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001429260233 927850213 /nfs/dbraw/zinc/85/02/13/927850213.db2.gz ZWMLMJNBAMILSX-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001429260230 927850462 /nfs/dbraw/zinc/85/04/62/927850462.db2.gz ZWMLMJNBAMILSX-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCOCC1 ZINC001429258828 927851175 /nfs/dbraw/zinc/85/11/75/927851175.db2.gz FJVONEQEWROVFL-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)CCNC(N)=O ZINC001429243837 927851482 /nfs/dbraw/zinc/85/14/82/927851482.db2.gz GDOVZPVCYIQUGO-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001429276362 927854426 /nfs/dbraw/zinc/85/44/26/927854426.db2.gz DGYBHWDPKMCZNX-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CCn2cnnn2)CC[N@H+]1C ZINC001429290254 927857526 /nfs/dbraw/zinc/85/75/26/927857526.db2.gz XZWZUKHWDCVBRV-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)CNC(=O)NC ZINC001429306680 927858797 /nfs/dbraw/zinc/85/87/97/927858797.db2.gz BXAVXSNYAYFIHK-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001429319273 927863201 /nfs/dbraw/zinc/86/32/01/927863201.db2.gz DBFVCPYFDYICEL-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1cnc[nH]c1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001429319273 927863216 /nfs/dbraw/zinc/86/32/16/927863216.db2.gz DBFVCPYFDYICEL-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(N)=O)C1 ZINC001429401073 927865878 /nfs/dbraw/zinc/86/58/78/927865878.db2.gz XOYKJUJDPDPICF-WYUUTHIRSA-N 1 1 323.397 -1.146 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001429494485 927875406 /nfs/dbraw/zinc/87/54/06/927875406.db2.gz BTFRMRIYTSXSIR-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO COC[C@H](OC)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001429472345 927875894 /nfs/dbraw/zinc/87/58/94/927875894.db2.gz AWPUTEKDCSRMNO-RYUDHWBXSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@H](OC)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001429472345 927875899 /nfs/dbraw/zinc/87/58/99/927875899.db2.gz AWPUTEKDCSRMNO-RYUDHWBXSA-N 1 1 317.386 -1.447 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001429515606 927881049 /nfs/dbraw/zinc/88/10/49/927881049.db2.gz IKVHAVUGQAMVJB-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429552724 927883844 /nfs/dbraw/zinc/88/38/44/927883844.db2.gz WFMUPZPJNGJEPQ-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001429552724 927883854 /nfs/dbraw/zinc/88/38/54/927883854.db2.gz WFMUPZPJNGJEPQ-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)Cn1cc[nH+]c1C ZINC001429589634 927885975 /nfs/dbraw/zinc/88/59/75/927885975.db2.gz JIINPOOEAUSTMG-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN1C(=O)CNC(N)=O ZINC001429737413 927892928 /nfs/dbraw/zinc/89/29/28/927892928.db2.gz PBPAYQFKEGJMJW-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO CCC(=O)N1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001429779087 927895601 /nfs/dbraw/zinc/89/56/01/927895601.db2.gz NBUFMRGBQKRSSM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC(=O)N1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001429779087 927895616 /nfs/dbraw/zinc/89/56/16/927895616.db2.gz NBUFMRGBQKRSSM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001429807064 927896937 /nfs/dbraw/zinc/89/69/37/927896937.db2.gz JVIBDNSMQJQFGO-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CNC(C)=O)C2)C1 ZINC001430138368 927912910 /nfs/dbraw/zinc/91/29/10/927912910.db2.gz MVBLRUFQEDCOPU-GFCCVEGCSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CNC(C)=O)C2)C1 ZINC001430138368 927912914 /nfs/dbraw/zinc/91/29/14/927912914.db2.gz MVBLRUFQEDCOPU-GFCCVEGCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001430158004 927916972 /nfs/dbraw/zinc/91/69/72/927916972.db2.gz RSBIOMUOTDLLHI-LLVKDONJSA-N 1 1 308.382 -1.209 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CCNC(=O)NC)C1 ZINC001430186147 927922139 /nfs/dbraw/zinc/92/21/39/927922139.db2.gz FWZDSLCKKMDNKG-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CS(=O)(=O)NC)C1 ZINC001430196774 927924057 /nfs/dbraw/zinc/92/40/57/927924057.db2.gz KRYDEJAXHUJMIG-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001430206969 927925612 /nfs/dbraw/zinc/92/56/12/927925612.db2.gz FRBNMWIALNDEOE-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001430264172 927931400 /nfs/dbraw/zinc/93/14/00/927931400.db2.gz SGGSFFUTNSGGFH-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001430264172 927931410 /nfs/dbraw/zinc/93/14/10/927931410.db2.gz SGGSFFUTNSGGFH-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001430292244 927934203 /nfs/dbraw/zinc/93/42/03/927934203.db2.gz SVJDUARHHLTUNN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430435899 927951978 /nfs/dbraw/zinc/95/19/78/927951978.db2.gz JQSPNINMWDLSQE-QWRGUYRKSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430435899 927951985 /nfs/dbraw/zinc/95/19/85/927951985.db2.gz JQSPNINMWDLSQE-QWRGUYRKSA-N 1 1 313.354 -1.174 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001430447566 927953696 /nfs/dbraw/zinc/95/36/96/927953696.db2.gz SKUYTUUVVKXFSF-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001430447566 927953710 /nfs/dbraw/zinc/95/37/10/927953710.db2.gz SKUYTUUVVKXFSF-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486220 927958013 /nfs/dbraw/zinc/95/80/13/927958013.db2.gz VBDNVSOUCVPAJJ-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486220 927958025 /nfs/dbraw/zinc/95/80/25/927958025.db2.gz VBDNVSOUCVPAJJ-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486229 927958302 /nfs/dbraw/zinc/95/83/02/927958302.db2.gz VBDNVSOUCVPAJJ-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486229 927958307 /nfs/dbraw/zinc/95/83/07/927958307.db2.gz VBDNVSOUCVPAJJ-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430537781 927961337 /nfs/dbraw/zinc/96/13/37/927961337.db2.gz LLZOLGSBDHWIMP-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001430556066 927965201 /nfs/dbraw/zinc/96/52/01/927965201.db2.gz OLCOEHNWVBPGQR-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)NC(=O)Cn1cc[nH+]c1C ZINC001430618122 927969492 /nfs/dbraw/zinc/96/94/92/927969492.db2.gz RSLBBUMAHVKLQP-NSHDSACASA-N 1 1 320.357 -1.111 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001430720673 927975546 /nfs/dbraw/zinc/97/55/46/927975546.db2.gz CXNKDVXUHSCPFM-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430963628 927987396 /nfs/dbraw/zinc/98/73/96/927987396.db2.gz NFUTUYWLXHZTAG-WDEREUQCSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431018730 927991779 /nfs/dbraw/zinc/99/17/79/927991779.db2.gz AZMDSWGGEXYOHK-RYUDHWBXSA-N 1 1 323.401 -1.117 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001431087298 927993806 /nfs/dbraw/zinc/99/38/06/927993806.db2.gz SFVDKMVNWFVYJK-KOLCDFICSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001431068909 927994802 /nfs/dbraw/zinc/99/48/02/927994802.db2.gz UDKMZVHCLWHLNB-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001431130496 927996383 /nfs/dbraw/zinc/99/63/83/927996383.db2.gz GKPUAAAPOOUPGM-JTQLQIEISA-N 1 1 320.357 -1.150 20 0 DAADMO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431136686 927998652 /nfs/dbraw/zinc/99/86/52/927998652.db2.gz HDDVZRAAJYBZMY-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431136686 927998659 /nfs/dbraw/zinc/99/86/59/927998659.db2.gz HDDVZRAAJYBZMY-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1COC(=O)N1 ZINC001431187894 928001446 /nfs/dbraw/zinc/00/14/46/928001446.db2.gz RIDFMQGSSOYYIE-ZJUUUORDSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1COC(=O)N1 ZINC001431187894 928001457 /nfs/dbraw/zinc/00/14/57/928001457.db2.gz RIDFMQGSSOYYIE-ZJUUUORDSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cc[nH]n1 ZINC001431189491 928002848 /nfs/dbraw/zinc/00/28/48/928002848.db2.gz UZRKNVBXKFESTL-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cc[nH]n1 ZINC001431189491 928002859 /nfs/dbraw/zinc/00/28/59/928002859.db2.gz UZRKNVBXKFESTL-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)Cn2ncnn2)C1 ZINC001431270647 928006691 /nfs/dbraw/zinc/00/66/91/928006691.db2.gz QASPVKZFYCLQBG-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001431271282 928007127 /nfs/dbraw/zinc/00/71/27/928007127.db2.gz UNTCJVGDJWVRTM-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CCS(C)(=O)=O ZINC001431264196 928007528 /nfs/dbraw/zinc/00/75/28/928007528.db2.gz OWNYTNKPJHDFTJ-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431238534 928007729 /nfs/dbraw/zinc/00/77/29/928007729.db2.gz AADLPDBILLBFOH-RYUDHWBXSA-N 1 1 323.401 -1.118 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)Cn1cncn1 ZINC001431369625 928014854 /nfs/dbraw/zinc/01/48/54/928014854.db2.gz GCOKDFTWDOVCSU-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001431390968 928015979 /nfs/dbraw/zinc/01/59/79/928015979.db2.gz SOVJZLVANCDTNB-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001431404951 928017937 /nfs/dbraw/zinc/01/79/37/928017937.db2.gz YKLILHZUMWLYNQ-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CN(CCNC(=O)c1ccncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431460378 928023495 /nfs/dbraw/zinc/02/34/95/928023495.db2.gz UMTIMUABDFDFLA-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1ccncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431460378 928023504 /nfs/dbraw/zinc/02/35/04/928023504.db2.gz UMTIMUABDFDFLA-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001431464843 928026659 /nfs/dbraw/zinc/02/66/59/928026659.db2.gz ZMLKAXVNSOFTQZ-JQWIXIFHSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001431485456 928031759 /nfs/dbraw/zinc/03/17/59/928031759.db2.gz UKELSYRXMWKUGY-ZYHUDNBSSA-N 1 1 316.402 -1.556 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cnns1 ZINC001431487099 928033601 /nfs/dbraw/zinc/03/36/01/928033601.db2.gz CTHOKVHWOCJXLW-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001431503120 928041326 /nfs/dbraw/zinc/04/13/26/928041326.db2.gz SMQZIZQUJKLLLA-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431503535 928041431 /nfs/dbraw/zinc/04/14/31/928041431.db2.gz FRZGFWMHLYRDGG-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431503535 928041443 /nfs/dbraw/zinc/04/14/43/928041443.db2.gz FRZGFWMHLYRDGG-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431503507 928042358 /nfs/dbraw/zinc/04/23/58/928042358.db2.gz FRZGFWMHLYRDGG-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431503507 928042366 /nfs/dbraw/zinc/04/23/66/928042366.db2.gz FRZGFWMHLYRDGG-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001431501801 928042427 /nfs/dbraw/zinc/04/24/27/928042427.db2.gz OMUPVSQEEMPRJU-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506695 928044736 /nfs/dbraw/zinc/04/47/36/928044736.db2.gz LNDHARJRINSKII-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506695 928044751 /nfs/dbraw/zinc/04/47/51/928044751.db2.gz LNDHARJRINSKII-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001431513872 928047067 /nfs/dbraw/zinc/04/70/67/928047067.db2.gz PBTRFZLYLGDVQT-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001431527705 928050526 /nfs/dbraw/zinc/05/05/26/928050526.db2.gz DOAVVAWCJCKQDX-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001431540870 928056802 /nfs/dbraw/zinc/05/68/02/928056802.db2.gz HSDVRDVYMQNAHF-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540870 928056815 /nfs/dbraw/zinc/05/68/15/928056815.db2.gz HSDVRDVYMQNAHF-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001431540870 928056828 /nfs/dbraw/zinc/05/68/28/928056828.db2.gz HSDVRDVYMQNAHF-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)COCC(F)F)C1 ZINC001431544434 928057006 /nfs/dbraw/zinc/05/70/06/928057006.db2.gz KSZWKDKFLRQRDX-NXEZZACHSA-N 1 1 323.340 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2n[nH]cc2F)C1 ZINC001431551533 928060329 /nfs/dbraw/zinc/06/03/29/928060329.db2.gz QXAPUJSBWQAZNR-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551533 928060340 /nfs/dbraw/zinc/06/03/40/928060340.db2.gz QXAPUJSBWQAZNR-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551533 928060351 /nfs/dbraw/zinc/06/03/51/928060351.db2.gz QXAPUJSBWQAZNR-RKDXNWHRSA-N 1 1 313.333 -1.293 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001431549698 928061225 /nfs/dbraw/zinc/06/12/25/928061225.db2.gz OYLOYFRXFROYCP-JTQLQIEISA-N 1 1 317.390 -2.151 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cn[nH]n2)C1 ZINC001431558498 928062988 /nfs/dbraw/zinc/06/29/88/928062988.db2.gz VPRNMYNZNBJPHF-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558498 928063000 /nfs/dbraw/zinc/06/30/00/928063000.db2.gz VPRNMYNZNBJPHF-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558498 928063013 /nfs/dbraw/zinc/06/30/13/928063013.db2.gz VPRNMYNZNBJPHF-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558498 928063027 /nfs/dbraw/zinc/06/30/27/928063027.db2.gz VPRNMYNZNBJPHF-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558498 928063041 /nfs/dbraw/zinc/06/30/41/928063041.db2.gz VPRNMYNZNBJPHF-JQWIXIFHSA-N 1 1 324.385 -1.718 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001431555363 928063298 /nfs/dbraw/zinc/06/32/98/928063298.db2.gz XGCQBBOZPUVIMN-WDEREUQCSA-N 1 1 324.385 -1.543 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2cn[nH]n2)C1 ZINC001431558494 928063539 /nfs/dbraw/zinc/06/35/39/928063539.db2.gz VPRNMYNZNBJPHF-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558494 928063555 /nfs/dbraw/zinc/06/35/55/928063555.db2.gz VPRNMYNZNBJPHF-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2c[nH]nn2)C1 ZINC001431558494 928063571 /nfs/dbraw/zinc/06/35/71/928063571.db2.gz VPRNMYNZNBJPHF-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558494 928063585 /nfs/dbraw/zinc/06/35/85/928063585.db2.gz VPRNMYNZNBJPHF-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2cnn[nH]2)C1 ZINC001431558494 928063597 /nfs/dbraw/zinc/06/35/97/928063597.db2.gz VPRNMYNZNBJPHF-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001431577926 928069259 /nfs/dbraw/zinc/06/92/59/928069259.db2.gz ZPGXWGKJXRQDBI-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431577996 928069746 /nfs/dbraw/zinc/06/97/46/928069746.db2.gz XKZYFQITGQHKFJ-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001431577923 928070024 /nfs/dbraw/zinc/07/00/24/928070024.db2.gz ZPGXWGKJXRQDBI-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431643455 928074435 /nfs/dbraw/zinc/07/44/35/928074435.db2.gz ABBRLDZXQRRATM-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431643494 928074823 /nfs/dbraw/zinc/07/48/23/928074823.db2.gz ABBRLDZXQRRATM-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO CCN(CCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431684743 928078097 /nfs/dbraw/zinc/07/80/97/928078097.db2.gz SAWNFONKJDITTB-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431783528 928085255 /nfs/dbraw/zinc/08/52/55/928085255.db2.gz KPGYFQAAUBSQDB-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431783528 928085267 /nfs/dbraw/zinc/08/52/67/928085267.db2.gz KPGYFQAAUBSQDB-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)C1 ZINC001431828019 928087632 /nfs/dbraw/zinc/08/76/32/928087632.db2.gz LOPLRBXADMLUDL-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)C1 ZINC001431828019 928087643 /nfs/dbraw/zinc/08/76/43/928087643.db2.gz LOPLRBXADMLUDL-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)CCNC(N)=O)C1 ZINC001432018257 928098392 /nfs/dbraw/zinc/09/83/92/928098392.db2.gz XTKXIRGYQDWWNT-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001432107434 928105127 /nfs/dbraw/zinc/10/51/27/928105127.db2.gz UZOROSDIYJXFSO-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001432107468 928105445 /nfs/dbraw/zinc/10/54/45/928105445.db2.gz UZOROSDIYJXFSO-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001432223934 928117634 /nfs/dbraw/zinc/11/76/34/928117634.db2.gz QCHNDKGMUCCTNV-VIFPVBQESA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001432260367 928124422 /nfs/dbraw/zinc/12/44/22/928124422.db2.gz XZVRVRHMWOAJIQ-QMMMGPOBSA-N 1 1 308.342 -1.416 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC001432287535 928125609 /nfs/dbraw/zinc/12/56/09/928125609.db2.gz WFSITCYQCZDULH-UHFFFAOYSA-N 1 1 322.369 -1.604 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001432302726 928128852 /nfs/dbraw/zinc/12/88/52/928128852.db2.gz XDECLCGOQNCFEU-SNVBAGLBSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001432302722 928129202 /nfs/dbraw/zinc/12/92/02/928129202.db2.gz XDECLCGOQNCFEU-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001432326621 928132594 /nfs/dbraw/zinc/13/25/94/928132594.db2.gz PJXMMDFVLUUKDF-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001432349853 928135365 /nfs/dbraw/zinc/13/53/65/928135365.db2.gz WLSUPPDZYBMJHB-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC(NC(=O)Cc2cnc[nH]2)C1 ZINC001432368374 928137487 /nfs/dbraw/zinc/13/74/87/928137487.db2.gz LIWLMPBEKNZUNC-UHFFFAOYSA-N 1 1 322.369 -1.013 20 0 DAADMO CC(=O)NCC(=O)N1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001432429347 928147230 /nfs/dbraw/zinc/14/72/30/928147230.db2.gz LUTFRFJFHQBFHY-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001432453898 928148412 /nfs/dbraw/zinc/14/84/12/928148412.db2.gz WWTWTGHHBLKODD-LLVKDONJSA-N 1 1 321.337 -1.125 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)CCNC(N)=O)C1 ZINC001432445199 928149301 /nfs/dbraw/zinc/14/93/01/928149301.db2.gz XRHACOQTNAKCOX-UHFFFAOYSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CNC(N)=O)C2)C1 ZINC001432455966 928149611 /nfs/dbraw/zinc/14/96/11/928149611.db2.gz XPASWCCPBKVXDP-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001432462070 928150923 /nfs/dbraw/zinc/15/09/23/928150923.db2.gz QEITXVSAHXXVCZ-SNVBAGLBSA-N 1 1 321.385 -1.260 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001432474342 928153194 /nfs/dbraw/zinc/15/31/94/928153194.db2.gz WWEULNJTLFPAQC-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001432474342 928153199 /nfs/dbraw/zinc/15/31/99/928153199.db2.gz WWEULNJTLFPAQC-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C)n1 ZINC001432496500 928155140 /nfs/dbraw/zinc/15/51/40/928155140.db2.gz GUWOCQYEYWKKAQ-QWRGUYRKSA-N 1 1 321.385 -1.024 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001432545845 928155578 /nfs/dbraw/zinc/15/55/78/928155578.db2.gz IJDILMMKTQPGNE-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001432639665 928159865 /nfs/dbraw/zinc/15/98/65/928159865.db2.gz PEVQZELCRGAQBM-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001432804172 928168054 /nfs/dbraw/zinc/16/80/54/928168054.db2.gz QRUIDHGOJXIHBZ-CQSZACIVSA-N 1 1 322.369 -1.406 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001432928812 928170507 /nfs/dbraw/zinc/17/05/07/928170507.db2.gz KUBRBLLUDUOCFJ-CMPLNLGQSA-N 1 1 314.386 -1.678 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001432928812 928170516 /nfs/dbraw/zinc/17/05/16/928170516.db2.gz KUBRBLLUDUOCFJ-CMPLNLGQSA-N 1 1 314.386 -1.678 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCOC)C1 ZINC001433215059 928183332 /nfs/dbraw/zinc/18/33/32/928183332.db2.gz VMGFCAQIDMFPTK-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCOC)C1 ZINC001433215059 928183344 /nfs/dbraw/zinc/18/33/44/928183344.db2.gz VMGFCAQIDMFPTK-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001433244310 928192515 /nfs/dbraw/zinc/19/25/15/928192515.db2.gz RMYMLUZEZMNWMS-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001433258978 928199183 /nfs/dbraw/zinc/19/91/83/928199183.db2.gz FJWVETPYORDEDV-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001433258978 928199190 /nfs/dbraw/zinc/19/91/90/928199190.db2.gz FJWVETPYORDEDV-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433258371 928199427 /nfs/dbraw/zinc/19/94/27/928199427.db2.gz MUIUFLATRROJBR-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433258371 928199433 /nfs/dbraw/zinc/19/94/33/928199433.db2.gz MUIUFLATRROJBR-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001433270982 928202527 /nfs/dbraw/zinc/20/25/27/928202527.db2.gz ZGPAVJKIWXELHK-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001433275891 928202626 /nfs/dbraw/zinc/20/26/26/928202626.db2.gz OKPQJLAYRRYPJF-QWRGUYRKSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001433275894 928202741 /nfs/dbraw/zinc/20/27/41/928202741.db2.gz OKPQJLAYRRYPJF-WDEREUQCSA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001433274959 928203813 /nfs/dbraw/zinc/20/38/13/928203813.db2.gz CMUZUEGSUCGAIJ-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433285364 928206922 /nfs/dbraw/zinc/20/69/22/928206922.db2.gz KOQLUGZLYHYZLK-DGCLKSJQSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC001433292075 928209223 /nfs/dbraw/zinc/20/92/23/928209223.db2.gz DBIUCNJUKLULFB-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001433287203 928209676 /nfs/dbraw/zinc/20/96/76/928209676.db2.gz OYCSKHDVSARSFN-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001433287211 928209731 /nfs/dbraw/zinc/20/97/31/928209731.db2.gz OYCSKHDVSARSFN-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC001433292069 928210061 /nfs/dbraw/zinc/21/00/61/928210061.db2.gz DBIUCNJUKLULFB-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001433288726 928210351 /nfs/dbraw/zinc/21/03/51/928210351.db2.gz SITKTQPFVXKTJS-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001433287209 928210561 /nfs/dbraw/zinc/21/05/61/928210561.db2.gz OYCSKHDVSARSFN-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001433291239 928210915 /nfs/dbraw/zinc/21/09/15/928210915.db2.gz NXTJKCZVXHYJOB-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001433291239 928210925 /nfs/dbraw/zinc/21/09/25/928210925.db2.gz NXTJKCZVXHYJOB-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433297147 928212377 /nfs/dbraw/zinc/21/23/77/928212377.db2.gz OJJFVEPSOUXFRE-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433297142 928212911 /nfs/dbraw/zinc/21/29/11/928212911.db2.gz OJJFVEPSOUXFRE-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001433311635 928213709 /nfs/dbraw/zinc/21/37/09/928213709.db2.gz UHNUHNODGKUERW-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001433337685 928219045 /nfs/dbraw/zinc/21/90/45/928219045.db2.gz XBJBMNJSKZRIRB-LBPRGKRZSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H](c1nnnn1C)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001433424186 928226199 /nfs/dbraw/zinc/22/61/99/928226199.db2.gz UIGVJMHGJILESQ-NWDGAFQWSA-N 1 1 323.401 -1.254 20 0 DAADMO C[C@@H](c1nnnn1C)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001433424186 928226206 /nfs/dbraw/zinc/22/62/06/928226206.db2.gz UIGVJMHGJILESQ-NWDGAFQWSA-N 1 1 323.401 -1.254 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001433457299 928227655 /nfs/dbraw/zinc/22/76/55/928227655.db2.gz PKMPDTGKZJTCRW-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncn(C)c1=O ZINC001433565062 928240572 /nfs/dbraw/zinc/24/05/72/928240572.db2.gz SHMHLIVMKIQLPE-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001433566189 928240711 /nfs/dbraw/zinc/24/07/11/928240711.db2.gz AOHCQHAXEHCLIB-NSHDSACASA-N 1 1 322.369 -1.254 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433593346 928242107 /nfs/dbraw/zinc/24/21/07/928242107.db2.gz ZWESPUIJEFYFBD-WCBMZHEXSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433593346 928242121 /nfs/dbraw/zinc/24/21/21/928242121.db2.gz ZWESPUIJEFYFBD-WCBMZHEXSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433593354 928242632 /nfs/dbraw/zinc/24/26/32/928242632.db2.gz ZWESPUIJEFYFBD-WPRPVWTQSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433593354 928242646 /nfs/dbraw/zinc/24/26/46/928242646.db2.gz ZWESPUIJEFYFBD-WPRPVWTQSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001433596223 928244132 /nfs/dbraw/zinc/24/41/32/928244132.db2.gz TYYQXVSBBIBPET-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001433669331 928252063 /nfs/dbraw/zinc/25/20/63/928252063.db2.gz AAEMHLLVOXIQJM-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001433687556 928254324 /nfs/dbraw/zinc/25/43/24/928254324.db2.gz SCKXXTSGYSYSRS-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001433687547 928254535 /nfs/dbraw/zinc/25/45/35/928254535.db2.gz SCKXXTSGYSYSRS-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001433704527 928256323 /nfs/dbraw/zinc/25/63/23/928256323.db2.gz NYXWIYACYNWIGI-LLVKDONJSA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001433735350 928260572 /nfs/dbraw/zinc/26/05/72/928260572.db2.gz WZPXUQXTKCMARZ-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001433783731 928265803 /nfs/dbraw/zinc/26/58/03/928265803.db2.gz UBBUUPADCSDDOI-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC001433806105 928267845 /nfs/dbraw/zinc/26/78/45/928267845.db2.gz QBOJVGVZXYNSMZ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)nn1-c1nc[nH]n1 ZINC001433891662 928275707 /nfs/dbraw/zinc/27/57/07/928275707.db2.gz RKRIQMOEKSBORH-GFCCVEGCSA-N 1 1 306.330 -1.510 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001433890800 928276514 /nfs/dbraw/zinc/27/65/14/928276514.db2.gz LYQNNMLRLPSEIZ-TVQRCGJNSA-N 1 1 324.341 -1.817 20 0 DAADMO Cc1nc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)nn1-c1nc[nH]n1 ZINC001433891918 928276859 /nfs/dbraw/zinc/27/68/59/928276859.db2.gz RKRIQMOEKSBORH-LBPRGKRZSA-N 1 1 306.330 -1.510 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC[N@@H+]1CCO ZINC001433927924 928281825 /nfs/dbraw/zinc/28/18/25/928281825.db2.gz CEINGCZOMXPFSL-DGCLKSJQSA-N 1 1 312.370 -1.625 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC[N@H+]1CCO ZINC001433927924 928281835 /nfs/dbraw/zinc/28/18/35/928281835.db2.gz CEINGCZOMXPFSL-DGCLKSJQSA-N 1 1 312.370 -1.625 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001433967263 928286147 /nfs/dbraw/zinc/28/61/47/928286147.db2.gz PZHITGRBNJPYKI-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO CN1C[C@@H](C(=O)NC2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001433960076 928286267 /nfs/dbraw/zinc/28/62/67/928286267.db2.gz QETLABGCEZRDFP-WDEREUQCSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001434043357 928296643 /nfs/dbraw/zinc/29/66/43/928296643.db2.gz LLNOAVIZWKMTFM-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CN1CCCS1(=O)=O ZINC001434104016 928304802 /nfs/dbraw/zinc/30/48/02/928304802.db2.gz YTJVHMSZJHMOHU-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001434102492 928304895 /nfs/dbraw/zinc/30/48/95/928304895.db2.gz QJBZFHVQCVHFAS-AXFHLTTASA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC001434102492 928304909 /nfs/dbraw/zinc/30/49/09/928304909.db2.gz QJBZFHVQCVHFAS-AXFHLTTASA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CN1CCC(=O)NC1=O ZINC001434100907 928304984 /nfs/dbraw/zinc/30/49/84/928304984.db2.gz KFNBAIBJALXPCD-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CCCS1(=O)=O ZINC001434104009 928305666 /nfs/dbraw/zinc/30/56/66/928305666.db2.gz YTJVHMSZJHMOHU-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCn2cnc3c2ncnc3N)[C@H](CO)C1 ZINC001434223172 928315711 /nfs/dbraw/zinc/31/57/11/928315711.db2.gz AFIUOOLEFZLYAE-JTQLQIEISA-N 1 1 319.369 -1.067 20 0 DAADMO C[N@H+]1CCN(C(=O)CCn2cnc3c2ncnc3N)[C@H](CO)C1 ZINC001434223172 928315722 /nfs/dbraw/zinc/31/57/22/928315722.db2.gz AFIUOOLEFZLYAE-JTQLQIEISA-N 1 1 319.369 -1.067 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@H](CO)C1 ZINC001434230797 928317886 /nfs/dbraw/zinc/31/78/86/928317886.db2.gz XSXXXOQIFXWIPN-QWRGUYRKSA-N 1 1 320.415 -1.963 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)[C@H](CO)C1 ZINC001434230797 928317900 /nfs/dbraw/zinc/31/79/00/928317900.db2.gz XSXXXOQIFXWIPN-QWRGUYRKSA-N 1 1 320.415 -1.963 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001434234744 928318075 /nfs/dbraw/zinc/31/80/75/928318075.db2.gz WKVAKWRJZLAWDE-CMPLNLGQSA-N 1 1 320.415 -1.774 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001434234765 928318699 /nfs/dbraw/zinc/31/86/99/928318699.db2.gz WKVAKWRJZLAWDE-JQWIXIFHSA-N 1 1 320.415 -1.774 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001434245315 928320961 /nfs/dbraw/zinc/32/09/61/928320961.db2.gz BRNLEUZLMWPUBC-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001434245315 928320972 /nfs/dbraw/zinc/32/09/72/928320972.db2.gz BRNLEUZLMWPUBC-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)C1C[NH+](C2CCOCC2)C1 ZINC001434246714 928321090 /nfs/dbraw/zinc/32/10/90/928321090.db2.gz INDJHPQYMKKXDM-VXGBXAGGSA-N 1 1 318.395 -1.629 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001434248861 928322213 /nfs/dbraw/zinc/32/22/13/928322213.db2.gz RENGFSQBTMZOIN-LFNDISMMSA-N 1 1 315.370 -1.376 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001434248861 928322224 /nfs/dbraw/zinc/32/22/24/928322224.db2.gz RENGFSQBTMZOIN-LFNDISMMSA-N 1 1 315.370 -1.376 20 0 DAADMO Cc1cn2nnc(C(=O)NCC[N@H+]3CC[C@H](O)C3)c2c(=O)[nH]1 ZINC001434250963 928323425 /nfs/dbraw/zinc/32/34/25/928323425.db2.gz QIFAKZDGAWBZAR-VIFPVBQESA-N 1 1 306.326 -1.065 20 0 DAADMO Cc1occc(=O)c1OCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001434286518 928324521 /nfs/dbraw/zinc/32/45/21/928324521.db2.gz DLIFYTUEDRGUIP-AWEZNQCLSA-N 1 1 312.322 -1.206 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001434288840 928325572 /nfs/dbraw/zinc/32/55/72/928325572.db2.gz VJEKQUJHWKUXMP-LLVKDONJSA-N 1 1 307.372 -2.655 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc2n[nH]c(=O)n2c1 ZINC001434287754 928325806 /nfs/dbraw/zinc/32/58/06/928325806.db2.gz OIUKIPYSIUHONK-CYBMUJFWSA-N 1 1 307.310 -1.484 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cc2c(=O)[nH]1 ZINC001434286481 928326130 /nfs/dbraw/zinc/32/61/30/928326130.db2.gz CSOVAHDLELDCQF-CQSZACIVSA-N 1 1 321.337 -1.588 20 0 DAADMO Cn1cc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001434308911 928328416 /nfs/dbraw/zinc/32/84/16/928328416.db2.gz CVMBVTBELZHTOT-UHFFFAOYSA-N 1 1 309.370 -1.405 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001434345942 928336111 /nfs/dbraw/zinc/33/61/11/928336111.db2.gz QFFVNPHDRLUGDK-UHFFFAOYSA-N 1 1 321.447 -1.832 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CNS(=O)(=O)c1cccnc1 ZINC001434364564 928341086 /nfs/dbraw/zinc/34/10/86/928341086.db2.gz MTXYVAIVKPDJOG-UHFFFAOYSA-N 1 1 316.383 -1.600 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001434398878 928346377 /nfs/dbraw/zinc/34/63/77/928346377.db2.gz AGANZMLDUCZQPB-HNNXBMFYSA-N 1 1 307.350 -1.202 20 0 DAADMO NS(=O)(=O)N1CCC(C(=O)N2CC([NH2+]C3COC3)C2)CC1 ZINC001434396853 928348155 /nfs/dbraw/zinc/34/81/55/928348155.db2.gz GAHIXZRCTNUNIK-UHFFFAOYSA-N 1 1 318.399 -1.899 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001434407453 928349168 /nfs/dbraw/zinc/34/91/68/928349168.db2.gz JKICUOOJUYQZBF-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@H](O)CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001434430587 928352095 /nfs/dbraw/zinc/35/20/95/928352095.db2.gz KSMAHXWUEBFZMP-GFCCVEGCSA-N 1 1 323.397 -1.145 20 0 DAADMO CC[C@H](O)Cn1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001434422482 928352739 /nfs/dbraw/zinc/35/27/39/928352739.db2.gz BXOHZAQIDMPLQR-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001434483124 928356405 /nfs/dbraw/zinc/35/64/05/928356405.db2.gz FXLRUUGUYYKUFV-UHFFFAOYSA-N 1 1 317.411 -1.123 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](O)C[C@]2(C)CO)cn1 ZINC001434481652 928356580 /nfs/dbraw/zinc/35/65/80/928356580.db2.gz YGKWNIRQNSCXPG-ZYHUDNBSSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](O)C[C@]2(C)CO)cn1 ZINC001434481652 928356594 /nfs/dbraw/zinc/35/65/94/928356594.db2.gz YGKWNIRQNSCXPG-ZYHUDNBSSA-N 1 1 318.399 -1.484 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1C(N)=O ZINC001434482203 928357113 /nfs/dbraw/zinc/35/71/13/928357113.db2.gz HZSMWSCZAVSLIO-ZMLRMANQSA-N 1 1 315.370 -1.939 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@@H](O)C3(O)CCOCC3)C[C@H]2N1 ZINC001434471650 928357372 /nfs/dbraw/zinc/35/73/72/928357372.db2.gz APIALQBZLFSRFN-IJLUTSLNSA-N 1 1 300.355 -1.522 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cn1 ZINC001434481651 928357807 /nfs/dbraw/zinc/35/78/07/928357807.db2.gz YGKWNIRQNSCXPG-PWSUYJOCSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](O)C[C@@]2(C)CO)cn1 ZINC001434481651 928357820 /nfs/dbraw/zinc/35/78/20/928357820.db2.gz YGKWNIRQNSCXPG-PWSUYJOCSA-N 1 1 318.399 -1.484 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[N@H+](CC(=O)NC)CC1 ZINC001434489276 928358921 /nfs/dbraw/zinc/35/89/21/928358921.db2.gz FHNCKAIPWJEDIO-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[N@@H+](CC(=O)NC)CC1 ZINC001434489276 928358929 /nfs/dbraw/zinc/35/89/29/928358929.db2.gz FHNCKAIPWJEDIO-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[N@H+](C)CCN1C ZINC001434636783 928373504 /nfs/dbraw/zinc/37/35/04/928373504.db2.gz WTOHCWQMUACGRB-NNYUYHANSA-N 1 1 307.416 -1.700 20 0 DAADMO C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[N@@H+](C)CCN1C ZINC001434636783 928373516 /nfs/dbraw/zinc/37/35/16/928373516.db2.gz WTOHCWQMUACGRB-NNYUYHANSA-N 1 1 307.416 -1.700 20 0 DAADMO C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@H]1C[N@H+](C)CCN1C ZINC001434636781 928374105 /nfs/dbraw/zinc/37/41/05/928374105.db2.gz WTOHCWQMUACGRB-IRCOFANPSA-N 1 1 307.416 -1.700 20 0 DAADMO C[C@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@H]1C[N@@H+](C)CCN1C ZINC001434636781 928374121 /nfs/dbraw/zinc/37/41/21/928374121.db2.gz WTOHCWQMUACGRB-IRCOFANPSA-N 1 1 307.416 -1.700 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ncn(C)n2)CC1 ZINC001434760451 928376122 /nfs/dbraw/zinc/37/61/22/928376122.db2.gz AITOWNOTYGHGOE-UHFFFAOYSA-N 1 1 309.374 -1.175 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001434759705 928376542 /nfs/dbraw/zinc/37/65/42/928376542.db2.gz PFDWIZUFBQTSDJ-RYUDHWBXSA-N 1 1 314.386 -1.855 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N(C)CCS(N)(=O)=O)C1 ZINC001434778506 928378558 /nfs/dbraw/zinc/37/85/58/928378558.db2.gz YLOKEBIQOSQBNL-SNVBAGLBSA-N 1 1 308.404 -1.363 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001434770503 928379549 /nfs/dbraw/zinc/37/95/49/928379549.db2.gz NMDUWBHHAOTELH-UHFFFAOYSA-N 1 1 323.357 -1.205 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001434855779 928389614 /nfs/dbraw/zinc/38/96/14/928389614.db2.gz VXEYHLUTTZJLMK-ZIAGYGMSSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001436326218 928392722 /nfs/dbraw/zinc/39/27/22/928392722.db2.gz LJKLPJQWISXURW-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001436329386 928393170 /nfs/dbraw/zinc/39/31/70/928393170.db2.gz LDGWRQNUJYKEJF-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001436329386 928393184 /nfs/dbraw/zinc/39/31/84/928393184.db2.gz LDGWRQNUJYKEJF-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001436320725 928393363 /nfs/dbraw/zinc/39/33/63/928393363.db2.gz AFIVPBXJXZZLKU-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001436320810 928394372 /nfs/dbraw/zinc/39/43/72/928394372.db2.gz AFIVPBXJXZZLKU-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001436347536 928396782 /nfs/dbraw/zinc/39/67/82/928396782.db2.gz AWYSMUSKQBFJJM-AOOOYVTPSA-N 1 1 321.341 -1.351 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436376780 928396966 /nfs/dbraw/zinc/39/69/66/928396966.db2.gz FBRXFIJOTVXLBZ-CIUDSAMLSA-N 1 1 310.362 -1.749 20 0 DAADMO Cn1ccc(CC(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001436450956 928397928 /nfs/dbraw/zinc/39/79/28/928397928.db2.gz MBJDGJHEOPZUJP-CYBMUJFWSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1ccc(CC(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001436450956 928397941 /nfs/dbraw/zinc/39/79/41/928397941.db2.gz MBJDGJHEOPZUJP-CYBMUJFWSA-N 1 1 323.397 -1.267 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001436465309 928398444 /nfs/dbraw/zinc/39/84/44/928398444.db2.gz XSBWHRVJEXQJFG-QWHCGFSZSA-N 1 1 311.386 -1.056 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)C[C@@H]2C1 ZINC001436455915 928399037 /nfs/dbraw/zinc/39/90/37/928399037.db2.gz ARWIWXLBNCQVMW-NEPJUHHUSA-N 1 1 308.382 -1.222 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001436446284 928399196 /nfs/dbraw/zinc/39/91/96/928399196.db2.gz OKPGAMSBTLHYMU-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CCCO ZINC001436479876 928399787 /nfs/dbraw/zinc/39/97/87/928399787.db2.gz FTCMGUIHUYWQQI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1cncc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001436448373 928400425 /nfs/dbraw/zinc/40/04/25/928400425.db2.gz CMNFIQBYQSURJV-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1cncc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001436448373 928400433 /nfs/dbraw/zinc/40/04/33/928400433.db2.gz CMNFIQBYQSURJV-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2ccncc2)CC[N@@H+]1CC(N)=O ZINC001436478215 928400512 /nfs/dbraw/zinc/40/05/12/928400512.db2.gz JEFRUJBGZSGRIB-PWSUYJOCSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2ccncc2)CC[N@H+]1CC(N)=O ZINC001436478215 928400522 /nfs/dbraw/zinc/40/05/22/928400522.db2.gz JEFRUJBGZSGRIB-PWSUYJOCSA-N 1 1 319.365 -1.124 20 0 DAADMO Cc1cnn(CC(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)c1 ZINC001436502459 928402048 /nfs/dbraw/zinc/40/20/48/928402048.db2.gz PXJVIIPUUQIOTM-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO C[C@H](C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1)n1cncn1 ZINC001436502309 928403416 /nfs/dbraw/zinc/40/34/16/928403416.db2.gz BHQYRXQLXUHPLS-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001436503754 928403443 /nfs/dbraw/zinc/40/34/43/928403443.db2.gz UJEULLQDISXKKB-GFCCVEGCSA-N 1 1 315.370 -1.828 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN2CCN(CC(N)=O)CC2)CC[N@H+]1C ZINC001436707444 928406041 /nfs/dbraw/zinc/40/60/41/928406041.db2.gz BJJFPVFFYSMXTM-CHWSQXEVSA-N 1 1 311.430 -1.454 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001436730137 928407741 /nfs/dbraw/zinc/40/77/41/928407741.db2.gz LNKBRDCHTGFNTK-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001436730137 928407749 /nfs/dbraw/zinc/40/77/49/928407749.db2.gz LNKBRDCHTGFNTK-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728373 928409565 /nfs/dbraw/zinc/40/95/65/928409565.db2.gz BZFIVORHBCKANS-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728373 928409570 /nfs/dbraw/zinc/40/95/70/928409570.db2.gz BZFIVORHBCKANS-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001436730140 928409823 /nfs/dbraw/zinc/40/98/23/928409823.db2.gz LNKBRDCHTGFNTK-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001436730140 928409828 /nfs/dbraw/zinc/40/98/28/928409828.db2.gz LNKBRDCHTGFNTK-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001436727481 928409864 /nfs/dbraw/zinc/40/98/64/928409864.db2.gz ADOWBZBYVMYHOA-PSASIEDQSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001436727481 928409866 /nfs/dbraw/zinc/40/98/66/928409866.db2.gz ADOWBZBYVMYHOA-PSASIEDQSA-N 1 1 313.358 -2.697 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001436772752 928410664 /nfs/dbraw/zinc/41/06/64/928410664.db2.gz TUONIDDLCHHAPU-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001436805004 928410700 /nfs/dbraw/zinc/41/07/00/928410700.db2.gz ALFDSUAZHHIGAX-NXEZZACHSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001436778563 928411249 /nfs/dbraw/zinc/41/12/49/928411249.db2.gz HYKCOSUZLZMULW-UWVGGRQHSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001436805005 928411779 /nfs/dbraw/zinc/41/17/79/928411779.db2.gz ALFDSUAZHHIGAX-UWVGGRQHSA-N 1 1 307.358 -1.519 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1)C1CC1 ZINC001436747308 928411927 /nfs/dbraw/zinc/41/19/27/928411927.db2.gz XAYPEIZNUHBKCW-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)C1)C1CC1 ZINC001436747308 928411936 /nfs/dbraw/zinc/41/19/36/928411936.db2.gz XAYPEIZNUHBKCW-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001436849091 928413204 /nfs/dbraw/zinc/41/32/04/928413204.db2.gz YEOFQHSGJMGPTF-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001436806472 928413435 /nfs/dbraw/zinc/41/34/35/928413435.db2.gz IEIZQMWCKVPLOQ-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001436809909 928413854 /nfs/dbraw/zinc/41/38/54/928413854.db2.gz LCTREUYJIVDEIL-SECBINFHSA-N 1 1 318.341 -1.408 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001436878720 928415916 /nfs/dbraw/zinc/41/59/16/928415916.db2.gz ZCRDFBZUSPBDII-JTQLQIEISA-N 1 1 302.356 -1.086 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1cnn[nH]1 ZINC001436900534 928416041 /nfs/dbraw/zinc/41/60/41/928416041.db2.gz DCICBVBQQARHJS-DCAQKATOSA-N 1 1 322.369 -1.362 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001436942188 928417467 /nfs/dbraw/zinc/41/74/67/928417467.db2.gz WAOLFDXUPSHQHR-INTQDDNPSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001436977960 928421218 /nfs/dbraw/zinc/42/12/18/928421218.db2.gz IDKSTCHQUDILLK-HLTSFMKQSA-N 1 1 310.362 -1.434 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001436993837 928421294 /nfs/dbraw/zinc/42/12/94/928421294.db2.gz GLODMQKDJXARLV-LLVKDONJSA-N 1 1 322.431 -1.797 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078815 928423583 /nfs/dbraw/zinc/42/35/83/928423583.db2.gz KPSGHQJCPRMPDQ-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078815 928423590 /nfs/dbraw/zinc/42/35/90/928423590.db2.gz KPSGHQJCPRMPDQ-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065657 928423696 /nfs/dbraw/zinc/42/36/96/928423696.db2.gz JGZYGYKNXOPVPL-OGBGREFGSA-N 1 1 312.370 -1.101 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065657 928423703 /nfs/dbraw/zinc/42/37/03/928423703.db2.gz JGZYGYKNXOPVPL-OGBGREFGSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437082974 928423787 /nfs/dbraw/zinc/42/37/87/928423787.db2.gz REFKGUUMXNPJHV-JCIQBVFBSA-N 1 1 323.397 -1.432 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC001437028684 928423968 /nfs/dbraw/zinc/42/39/68/928423968.db2.gz DOTQODATMBMIJI-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078811 928423987 /nfs/dbraw/zinc/42/39/87/928423987.db2.gz KPSGHQJCPRMPDQ-OMHSBUABSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078811 928423991 /nfs/dbraw/zinc/42/39/91/928423991.db2.gz KPSGHQJCPRMPDQ-OMHSBUABSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070219 928424137 /nfs/dbraw/zinc/42/41/37/928424137.db2.gz JUCKLINCZBIGDB-QUARPLMYSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070219 928424140 /nfs/dbraw/zinc/42/41/40/928424140.db2.gz JUCKLINCZBIGDB-QUARPLMYSA-N 1 1 315.395 -1.646 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001437001434 928425039 /nfs/dbraw/zinc/42/50/39/928425039.db2.gz QZPOIZRLAJJMGC-QWRGUYRKSA-N 1 1 322.431 -1.751 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001437103840 928426612 /nfs/dbraw/zinc/42/66/12/928426612.db2.gz IXMZVEZVVCVZEW-PSASIEDQSA-N 1 1 307.358 -1.119 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001437149446 928429456 /nfs/dbraw/zinc/42/94/56/928429456.db2.gz FYZUALJYQRRESL-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1CCOCC1)c1nnnn1C ZINC001437127168 928430543 /nfs/dbraw/zinc/43/05/43/928430543.db2.gz PPMFCYHLWSJNSC-WDEREUQCSA-N 1 1 311.390 -1.302 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437158544 928432772 /nfs/dbraw/zinc/43/27/72/928432772.db2.gz SPVFGKCTDDDPRE-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001437217504 928435822 /nfs/dbraw/zinc/43/58/22/928435822.db2.gz YXDMFLVRUASPJY-CBAPKCEASA-N 1 1 309.330 -1.993 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001437211714 928436571 /nfs/dbraw/zinc/43/65/71/928436571.db2.gz MPACINASKNMUIO-NSHDSACASA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nncn1C ZINC001437255903 928438370 /nfs/dbraw/zinc/43/83/70/928438370.db2.gz ARNAFCDMWNUTBK-BDAKNGLRSA-N 1 1 316.387 -1.899 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001437247595 928438993 /nfs/dbraw/zinc/43/89/93/928438993.db2.gz KXDRFIHNEQXLOW-RKDXNWHRSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nncn1C ZINC001437255906 928439055 /nfs/dbraw/zinc/43/90/55/928439055.db2.gz ARNAFCDMWNUTBK-RKDXNWHRSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ncnn1C ZINC001437231421 928439454 /nfs/dbraw/zinc/43/94/54/928439454.db2.gz FYYANTSMPKVMON-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cnn(C)n1 ZINC001437273094 928442066 /nfs/dbraw/zinc/44/20/66/928442066.db2.gz PYNXRBMQRNFZBS-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001437328093 928445460 /nfs/dbraw/zinc/44/54/60/928445460.db2.gz FAKFCSYMSUKEPF-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001437327899 928446027 /nfs/dbraw/zinc/44/60/27/928446027.db2.gz FCMOSNUXBHGZTI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001437327899 928446035 /nfs/dbraw/zinc/44/60/35/928446035.db2.gz FCMOSNUXBHGZTI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437430801 928447716 /nfs/dbraw/zinc/44/77/16/928447716.db2.gz IZDFLQUNJAEINH-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437430801 928447721 /nfs/dbraw/zinc/44/77/21/928447721.db2.gz IZDFLQUNJAEINH-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)Cn1cccn1)S(C)(=O)=O ZINC001437438379 928450807 /nfs/dbraw/zinc/45/08/07/928450807.db2.gz ZDTXVNAIVXCHHD-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)Cn1cccn1)S(C)(=O)=O ZINC001437438379 928450812 /nfs/dbraw/zinc/45/08/12/928450812.db2.gz ZDTXVNAIVXCHHD-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001437456627 928452064 /nfs/dbraw/zinc/45/20/64/928452064.db2.gz JXTSQYWOFFTOSI-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001437456627 928452075 /nfs/dbraw/zinc/45/20/75/928452075.db2.gz JXTSQYWOFFTOSI-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cccn1)CCNS(C)(=O)=O ZINC001437436234 928452493 /nfs/dbraw/zinc/45/24/93/928452493.db2.gz QGQFXBHDOKRTMP-UHFFFAOYSA-N 1 1 303.388 -1.520 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cccn1)CCNS(C)(=O)=O ZINC001437436234 928452499 /nfs/dbraw/zinc/45/24/99/928452499.db2.gz QGQFXBHDOKRTMP-UHFFFAOYSA-N 1 1 303.388 -1.520 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437452970 928452751 /nfs/dbraw/zinc/45/27/51/928452751.db2.gz SDBUFHHQWORGDT-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001437452970 928452754 /nfs/dbraw/zinc/45/27/54/928452754.db2.gz SDBUFHHQWORGDT-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437446020 928452801 /nfs/dbraw/zinc/45/28/01/928452801.db2.gz AVABXGACKOIAHO-VHSXEESVSA-N 1 1 321.399 -1.607 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437446020 928452804 /nfs/dbraw/zinc/45/28/04/928452804.db2.gz AVABXGACKOIAHO-VHSXEESVSA-N 1 1 321.399 -1.607 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437445756 928453077 /nfs/dbraw/zinc/45/30/77/928453077.db2.gz AVABXGACKOIAHO-NXEZZACHSA-N 1 1 321.399 -1.607 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437445756 928453083 /nfs/dbraw/zinc/45/30/83/928453083.db2.gz AVABXGACKOIAHO-NXEZZACHSA-N 1 1 321.399 -1.607 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001437456625 928453098 /nfs/dbraw/zinc/45/30/98/928453098.db2.gz JXTSQYWOFFTOSI-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001437456625 928453109 /nfs/dbraw/zinc/45/31/09/928453109.db2.gz JXTSQYWOFFTOSI-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001437458847 928453162 /nfs/dbraw/zinc/45/31/62/928453162.db2.gz QMDKWNYTWANIJQ-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001437458847 928453168 /nfs/dbraw/zinc/45/31/68/928453168.db2.gz QMDKWNYTWANIJQ-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001437462183 928453278 /nfs/dbraw/zinc/45/32/78/928453278.db2.gz IHYURPCPRCFNCF-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)cn1 ZINC001437462183 928453284 /nfs/dbraw/zinc/45/32/84/928453284.db2.gz IHYURPCPRCFNCF-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1ccnn1)CCN1CCNC1=O ZINC001437454446 928453342 /nfs/dbraw/zinc/45/33/42/928453342.db2.gz NPALVUNPEYBFRU-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO C[N@H+](CCNC(=O)c1cn2c(n1)COCC2)[C@H]1CCNC1=O ZINC001437488100 928454457 /nfs/dbraw/zinc/45/44/57/928454457.db2.gz ZUKJDMCWRLWMDR-NSHDSACASA-N 1 1 307.354 -1.037 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn2c(n1)COCC2)[C@H]1CCNC1=O ZINC001437488100 928454464 /nfs/dbraw/zinc/45/44/64/928454464.db2.gz ZUKJDMCWRLWMDR-NSHDSACASA-N 1 1 307.354 -1.037 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001437481377 928454487 /nfs/dbraw/zinc/45/44/87/928454487.db2.gz LMWJQUMZPHXVDG-UHFFFAOYSA-N 1 1 305.356 -1.029 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437479659 928455008 /nfs/dbraw/zinc/45/50/08/928455008.db2.gz HQHRHBFMZOFCTH-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437479659 928455019 /nfs/dbraw/zinc/45/50/19/928455019.db2.gz HQHRHBFMZOFCTH-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001437483953 928455826 /nfs/dbraw/zinc/45/58/26/928455826.db2.gz SBTGXVGDPXHYMM-UHFFFAOYSA-N 1 1 305.356 -1.029 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@@H+](C)[C@H]3CCNC3=O)nn2c1 ZINC001437476339 928455889 /nfs/dbraw/zinc/45/58/89/928455889.db2.gz CLBFNQLVSAOUJA-JTQLQIEISA-N 1 1 317.353 -1.017 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@H+](C)[C@H]3CCNC3=O)nn2c1 ZINC001437476339 928455894 /nfs/dbraw/zinc/45/58/94/928455894.db2.gz CLBFNQLVSAOUJA-JTQLQIEISA-N 1 1 317.353 -1.017 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001437470975 928456192 /nfs/dbraw/zinc/45/61/92/928456192.db2.gz KQBDQCXTCVARFH-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001437470975 928456199 /nfs/dbraw/zinc/45/61/99/928456199.db2.gz KQBDQCXTCVARFH-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437473930 928456505 /nfs/dbraw/zinc/45/65/05/928456505.db2.gz ZDDQPKZBAQUEDL-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001437473930 928456514 /nfs/dbraw/zinc/45/65/14/928456514.db2.gz ZDDQPKZBAQUEDL-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)NC1=O ZINC001437503408 928458271 /nfs/dbraw/zinc/45/82/71/928458271.db2.gz GEUYHCSCNVWJPR-GFCCVEGCSA-N 1 1 321.381 -1.043 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)CC2 ZINC001437510572 928459036 /nfs/dbraw/zinc/45/90/36/928459036.db2.gz XDLQKGJICRXLFP-CMPLNLGQSA-N 1 1 320.397 -1.144 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)CC2 ZINC001437510572 928459045 /nfs/dbraw/zinc/45/90/45/928459045.db2.gz XDLQKGJICRXLFP-CMPLNLGQSA-N 1 1 320.397 -1.144 20 0 DAADMO C[N@H+](CCNC(=O)Cc1cnoc1)CCNS(C)(=O)=O ZINC001437511871 928459216 /nfs/dbraw/zinc/45/92/16/928459216.db2.gz SZYYSZMEIMLSFE-UHFFFAOYSA-N 1 1 304.372 -1.186 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1cnoc1)CCNS(C)(=O)=O ZINC001437511871 928459223 /nfs/dbraw/zinc/45/92/23/928459223.db2.gz SZYYSZMEIMLSFE-UHFFFAOYSA-N 1 1 304.372 -1.186 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437526684 928459370 /nfs/dbraw/zinc/45/93/70/928459370.db2.gz QQLPTTSVNDMWSK-JTQLQIEISA-N 1 1 308.342 -1.680 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437506907 928459719 /nfs/dbraw/zinc/45/97/19/928459719.db2.gz IBFRBBVFHGDAOT-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437506907 928459724 /nfs/dbraw/zinc/45/97/24/928459724.db2.gz IBFRBBVFHGDAOT-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO Cn1cc(CC[N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001437522071 928460009 /nfs/dbraw/zinc/46/00/09/928460009.db2.gz BINAYGQKGCLKHU-NSHDSACASA-N 1 1 322.369 -1.391 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001437517678 928460183 /nfs/dbraw/zinc/46/01/83/928460183.db2.gz GISYWLJJIRWXPT-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001437517678 928460190 /nfs/dbraw/zinc/46/01/90/928460190.db2.gz GISYWLJJIRWXPT-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)ncn1 ZINC001437526747 928460332 /nfs/dbraw/zinc/46/03/32/928460332.db2.gz NGHLQAMENZGXKJ-NSHDSACASA-N 1 1 320.353 -1.069 20 0 DAADMO Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)ncn1 ZINC001437526747 928460336 /nfs/dbraw/zinc/46/03/36/928460336.db2.gz NGHLQAMENZGXKJ-NSHDSACASA-N 1 1 320.353 -1.069 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001437544213 928461659 /nfs/dbraw/zinc/46/16/59/928461659.db2.gz VYVXIIZLBQKHNY-IINYFYTJSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001437544213 928461666 /nfs/dbraw/zinc/46/16/66/928461666.db2.gz VYVXIIZLBQKHNY-IINYFYTJSA-N 1 1 312.370 -1.083 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437528801 928461809 /nfs/dbraw/zinc/46/18/09/928461809.db2.gz YBRKLNQKDVYZOL-LLVKDONJSA-N 1 1 322.369 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@@H]1CCNC1=O ZINC001437616064 928464689 /nfs/dbraw/zinc/46/46/89/928464689.db2.gz PALSDPOYORXJFZ-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@H]1CCCCO1 ZINC001437571964 928464796 /nfs/dbraw/zinc/46/47/96/928464796.db2.gz ZHYGJDJBYFOMGY-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@@H]1CCNC1=O ZINC001437618346 928464940 /nfs/dbraw/zinc/46/49/40/928464940.db2.gz HWWRBTXQLJGXLE-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N(C)C1CC1 ZINC001437614217 928465105 /nfs/dbraw/zinc/46/51/05/928465105.db2.gz OXPFIMDSDQQZNE-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N(C)C1CC1 ZINC001437614217 928465108 /nfs/dbraw/zinc/46/51/08/928465108.db2.gz OXPFIMDSDQQZNE-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)CC(N)=O ZINC001437590175 928465265 /nfs/dbraw/zinc/46/52/65/928465265.db2.gz BMMZQENKPHQZEF-UHFFFAOYSA-N 1 1 311.390 -1.106 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)CC(N)=O ZINC001437590175 928465269 /nfs/dbraw/zinc/46/52/69/928465269.db2.gz BMMZQENKPHQZEF-UHFFFAOYSA-N 1 1 311.390 -1.106 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)CCNC(=O)CNC(=O)NC ZINC001437599215 928465999 /nfs/dbraw/zinc/46/59/99/928465999.db2.gz SNSDXRBHXUTPQY-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)CNC(=O)NC ZINC001437599215 928466015 /nfs/dbraw/zinc/46/60/15/928466015.db2.gz SNSDXRBHXUTPQY-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)CCN1CCNC1=O ZINC001437573921 928466076 /nfs/dbraw/zinc/46/60/76/928466076.db2.gz LDWYFULHPQPRNY-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001437592040 928466200 /nfs/dbraw/zinc/46/62/00/928466200.db2.gz XNFAXTJFMPBQQZ-SECBINFHSA-N 1 1 322.387 -1.918 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001437592040 928466212 /nfs/dbraw/zinc/46/62/12/928466212.db2.gz XNFAXTJFMPBQQZ-SECBINFHSA-N 1 1 322.387 -1.918 20 0 DAADMO CCN1CC[C@H]([N@@H+](CC)CCNC(=O)Cn2ncnn2)C1=O ZINC001437597197 928466266 /nfs/dbraw/zinc/46/62/66/928466266.db2.gz FBQUUQUALMNOHX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437675806 928467624 /nfs/dbraw/zinc/46/76/24/928467624.db2.gz IWNHKGZGHXLWRN-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649436 928467718 /nfs/dbraw/zinc/46/77/18/928467718.db2.gz ZWJTUNHPHSXTLA-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001437674525 928468004 /nfs/dbraw/zinc/46/80/04/928468004.db2.gz AQUPZQBDTOZOHF-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437659077 928468129 /nfs/dbraw/zinc/46/81/29/928468129.db2.gz KFHQFMSOCADADG-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437657254 928468220 /nfs/dbraw/zinc/46/82/20/928468220.db2.gz KLUGMMZRRFKMQD-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437657254 928468229 /nfs/dbraw/zinc/46/82/29/928468229.db2.gz KLUGMMZRRFKMQD-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO CC[N@H+](CCNC(=O)CCC(=O)N1CCOCC1)CC(N)=O ZINC001437646189 928468256 /nfs/dbraw/zinc/46/82/56/928468256.db2.gz ZLRYIGLTHRUJCM-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CC[N@@H+](CCNC(=O)CCC(=O)N1CCOCC1)CC(N)=O ZINC001437646189 928468263 /nfs/dbraw/zinc/46/82/63/928468263.db2.gz ZLRYIGLTHRUJCM-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001437629465 928468294 /nfs/dbraw/zinc/46/82/94/928468294.db2.gz BERPQJSKQMJGGJ-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NC(=O)NC ZINC001437643514 928468631 /nfs/dbraw/zinc/46/86/31/928468631.db2.gz IZJHJFOJQAHKSS-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc[nH]n1)CC(=O)NC(=O)NC ZINC001437643514 928468638 /nfs/dbraw/zinc/46/86/38/928468638.db2.gz IZJHJFOJQAHKSS-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](C)OC ZINC001437667285 928469048 /nfs/dbraw/zinc/46/90/48/928469048.db2.gz QJQIRMXVEGVQAL-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](C)OC ZINC001437667286 928469308 /nfs/dbraw/zinc/46/93/08/928469308.db2.gz QJQIRMXVEGVQAL-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437650177 928469702 /nfs/dbraw/zinc/46/97/02/928469702.db2.gz MGPJKIARMROJQI-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437650177 928469710 /nfs/dbraw/zinc/46/97/10/928469710.db2.gz MGPJKIARMROJQI-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001437705948 928471002 /nfs/dbraw/zinc/47/10/02/928471002.db2.gz IFSKSFQGLMMKNX-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001437705948 928471010 /nfs/dbraw/zinc/47/10/10/928471010.db2.gz IFSKSFQGLMMKNX-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)CN3CCOCC3)C2)C1=O ZINC001437704813 928471302 /nfs/dbraw/zinc/47/13/02/928471302.db2.gz MKVXYVNFCBTCJF-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437692178 928472308 /nfs/dbraw/zinc/47/23/08/928472308.db2.gz BPADNTPFRGFWAE-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001437711082 928472532 /nfs/dbraw/zinc/47/25/32/928472532.db2.gz ZWEUTZSGISKLDE-SECBINFHSA-N 1 1 308.342 -1.415 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437692225 928472606 /nfs/dbraw/zinc/47/26/06/928472606.db2.gz BPADNTPFRGFWAE-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001437707717 928473036 /nfs/dbraw/zinc/47/30/36/928473036.db2.gz RQNZRCVQVGZDFP-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001437707717 928473047 /nfs/dbraw/zinc/47/30/47/928473047.db2.gz RQNZRCVQVGZDFP-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001437710823 928473277 /nfs/dbraw/zinc/47/32/77/928473277.db2.gz KMQSCKOBCPTQJW-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437688768 928473418 /nfs/dbraw/zinc/47/34/18/928473418.db2.gz PLVXDKUHMJMIMH-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001437723528 928474492 /nfs/dbraw/zinc/47/44/92/928474492.db2.gz NYZYXOYEBKUNRU-NSHDSACASA-N 1 1 307.416 -1.124 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001437744274 928474849 /nfs/dbraw/zinc/47/48/49/928474849.db2.gz ZLDGRHJUWBDEBQ-LLVKDONJSA-N 1 1 308.386 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001437744280 928474903 /nfs/dbraw/zinc/47/49/03/928474903.db2.gz ZLDGRHJUWBDEBQ-NSHDSACASA-N 1 1 308.386 -1.068 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001437719065 928475630 /nfs/dbraw/zinc/47/56/30/928475630.db2.gz BHVOIYILIWYYKK-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCN(C)C1=O ZINC001437738848 928475750 /nfs/dbraw/zinc/47/57/50/928475750.db2.gz SNWMBOBJIODPPI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437727958 928475825 /nfs/dbraw/zinc/47/58/25/928475825.db2.gz OSODFYPQDLJQQI-QMMMGPOBSA-N 1 1 307.376 -3.036 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001437725636 928476316 /nfs/dbraw/zinc/47/63/16/928476316.db2.gz TZSXHJBVDZTUGD-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001437722326 928476388 /nfs/dbraw/zinc/47/63/88/928476388.db2.gz BBDRTYXTCRCHNO-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001437719067 928476687 /nfs/dbraw/zinc/47/66/87/928476687.db2.gz BHVOIYILIWYYKK-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001437725644 928476732 /nfs/dbraw/zinc/47/67/32/928476732.db2.gz TZSXHJBVDZTUGD-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001437733773 928476752 /nfs/dbraw/zinc/47/67/52/928476752.db2.gz AFGJGUXKTOTYBV-UWVGGRQHSA-N 1 1 320.415 -1.810 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCCNC1=O ZINC001437740942 928476778 /nfs/dbraw/zinc/47/67/78/928476778.db2.gz ZCCRMFJOYQBZPA-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCCNC1=O ZINC001437759019 928476795 /nfs/dbraw/zinc/47/67/95/928476795.db2.gz KXLSLICLIBNVIE-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](CCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001437815850 928477873 /nfs/dbraw/zinc/47/78/73/928477873.db2.gz ANDAHVNFKJZEEP-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](CCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001437815850 928477878 /nfs/dbraw/zinc/47/78/78/928477878.db2.gz ANDAHVNFKJZEEP-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](CC(=O)N(C)C)C1CC1 ZINC001437783184 928479635 /nfs/dbraw/zinc/47/96/35/928479635.db2.gz AXTWMWYICKVOKW-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](CC(=O)N(C)C)C1CC1 ZINC001437783184 928479640 /nfs/dbraw/zinc/47/96/40/928479640.db2.gz AXTWMWYICKVOKW-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CN1CCOCC1=O)c1nncn1C ZINC001437845095 928480916 /nfs/dbraw/zinc/48/09/16/928480916.db2.gz NCKPSUOMFQSZTO-NSHDSACASA-N 1 1 324.385 -1.217 20 0 DAADMO Cn1cnn(CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001437942026 928483758 /nfs/dbraw/zinc/48/37/58/928483758.db2.gz XJQYWUJWYJTBKP-SNVBAGLBSA-N 1 1 310.358 -2.105 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001437948766 928484130 /nfs/dbraw/zinc/48/41/30/928484130.db2.gz QCSUFGGNGLNDHV-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(NCC[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001437936660 928484455 /nfs/dbraw/zinc/48/44/55/928484455.db2.gz KTRZDVPGTNKWFU-QWRGUYRKSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437935437 928484926 /nfs/dbraw/zinc/48/49/26/928484926.db2.gz MWFOETZEFYYCED-GHMZBOCLSA-N 1 1 324.385 -1.716 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001437986158 928486802 /nfs/dbraw/zinc/48/68/02/928486802.db2.gz XDVOQBZXHBIPDF-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437985736 928486998 /nfs/dbraw/zinc/48/69/98/928486998.db2.gz NBHGJYQYRATCNM-VIFPVBQESA-N 1 1 323.357 -1.596 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001438014908 928487900 /nfs/dbraw/zinc/48/79/00/928487900.db2.gz VLMDHUHSQZQFDA-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001437990844 928488052 /nfs/dbraw/zinc/48/80/52/928488052.db2.gz YXGSUAIPJHBDJV-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001437972327 928488179 /nfs/dbraw/zinc/48/81/79/928488179.db2.gz BYBPJOFRXKGMBG-LBPRGKRZSA-N 1 1 314.386 -1.989 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001437986938 928488326 /nfs/dbraw/zinc/48/83/26/928488326.db2.gz VCFSEAGZYQGHSA-UWVGGRQHSA-N 1 1 309.374 -1.132 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001437981570 928488446 /nfs/dbraw/zinc/48/84/46/928488446.db2.gz RGRQHNDRUHODHT-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCNC(=O)C3CC3)C2)C1 ZINC001438045235 928490324 /nfs/dbraw/zinc/49/03/24/928490324.db2.gz STTQMBSASMICLX-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCNC(=O)C3CC3)C2)C1 ZINC001438045235 928490329 /nfs/dbraw/zinc/49/03/29/928490329.db2.gz STTQMBSASMICLX-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001438075514 928493810 /nfs/dbraw/zinc/49/38/10/928493810.db2.gz IYLLREYIUCDZCC-KCJUWKMLSA-N 1 1 300.359 -1.798 20 0 DAADMO COC[C@H](O)CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001438080834 928496318 /nfs/dbraw/zinc/49/63/18/928496318.db2.gz RXOWUGHMUJOWNE-CYBMUJFWSA-N 1 1 301.387 -1.484 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001438120649 928497564 /nfs/dbraw/zinc/49/75/64/928497564.db2.gz CXTLMMOZLVSRHN-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CN3CCCNC3=O)C2)C1=O ZINC001438127021 928500076 /nfs/dbraw/zinc/50/00/76/928500076.db2.gz JFAUYGDAVOTYPK-GFCCVEGCSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CN3CCOCC3=O)C2)C1=O ZINC001438127186 928500426 /nfs/dbraw/zinc/50/04/26/928500426.db2.gz FHXOOLCLMQTSJO-LBPRGKRZSA-N 1 1 324.381 -1.876 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001438223857 928505784 /nfs/dbraw/zinc/50/57/84/928505784.db2.gz MOKDBYDOJYIOTJ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001438223857 928505788 /nfs/dbraw/zinc/50/57/88/928505788.db2.gz MOKDBYDOJYIOTJ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438204812 928505941 /nfs/dbraw/zinc/50/59/41/928505941.db2.gz OXFPFYISKKLGSA-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438204812 928505949 /nfs/dbraw/zinc/50/59/49/928505949.db2.gz OXFPFYISKKLGSA-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001438181657 928506699 /nfs/dbraw/zinc/50/66/99/928506699.db2.gz PJUVBBOSBHFHHN-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001438222851 928506807 /nfs/dbraw/zinc/50/68/07/928506807.db2.gz MFBRRUWQRMNPHC-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001438222851 928506820 /nfs/dbraw/zinc/50/68/20/928506820.db2.gz MFBRRUWQRMNPHC-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001438197521 928507142 /nfs/dbraw/zinc/50/71/42/928507142.db2.gz BURLKQIUVUJRSM-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001438197521 928507149 /nfs/dbraw/zinc/50/71/49/928507149.db2.gz BURLKQIUVUJRSM-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001438233315 928508975 /nfs/dbraw/zinc/50/89/75/928508975.db2.gz SKCDUCKOFBFIOJ-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438250235 928509089 /nfs/dbraw/zinc/50/90/89/928509089.db2.gz UOODDZDNUSCYPI-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438250235 928509100 /nfs/dbraw/zinc/50/91/00/928509100.db2.gz UOODDZDNUSCYPI-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001438242850 928509604 /nfs/dbraw/zinc/50/96/04/928509604.db2.gz PCFDKNJJVPPGFJ-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001438233363 928510176 /nfs/dbraw/zinc/51/01/76/928510176.db2.gz YTLGXQJCPUBGKX-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001438233363 928510188 /nfs/dbraw/zinc/51/01/88/928510188.db2.gz YTLGXQJCPUBGKX-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001438249065 928510522 /nfs/dbraw/zinc/51/05/22/928510522.db2.gz MRHBZGBETATRPE-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438249065 928510528 /nfs/dbraw/zinc/51/05/28/928510528.db2.gz MRHBZGBETATRPE-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438250239 928511258 /nfs/dbraw/zinc/51/12/58/928511258.db2.gz UOODDZDNUSCYPI-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438250239 928511263 /nfs/dbraw/zinc/51/12/63/928511263.db2.gz UOODDZDNUSCYPI-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271292 928512740 /nfs/dbraw/zinc/51/27/40/928512740.db2.gz ZKRYXHWPDMURLD-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271292 928512755 /nfs/dbraw/zinc/51/27/55/928512755.db2.gz ZKRYXHWPDMURLD-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001438311568 928514190 /nfs/dbraw/zinc/51/41/90/928514190.db2.gz IYUQQXOCPDCUFA-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001438542613 928521504 /nfs/dbraw/zinc/52/15/04/928521504.db2.gz YSLMIDGCJNMHAW-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001438566957 928525475 /nfs/dbraw/zinc/52/54/75/928525475.db2.gz OQCBYXKEIOZPAJ-LBPRGKRZSA-N 1 1 314.386 -1.399 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001438566957 928525480 /nfs/dbraw/zinc/52/54/80/928525480.db2.gz OQCBYXKEIOZPAJ-LBPRGKRZSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC001438573351 928526225 /nfs/dbraw/zinc/52/62/25/928526225.db2.gz TYBGWTOTJWLRIL-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC001438573351 928526236 /nfs/dbraw/zinc/52/62/36/928526236.db2.gz TYBGWTOTJWLRIL-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001438574604 928526488 /nfs/dbraw/zinc/52/64/88/928526488.db2.gz VSILRDLDUSMXQE-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001438574604 928526500 /nfs/dbraw/zinc/52/65/00/928526500.db2.gz VSILRDLDUSMXQE-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001438568620 928526616 /nfs/dbraw/zinc/52/66/16/928526616.db2.gz VADKZGNOHILUJO-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001438568620 928526628 /nfs/dbraw/zinc/52/66/28/928526628.db2.gz VADKZGNOHILUJO-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CCNC(N)=O)CC2 ZINC001438622890 928528959 /nfs/dbraw/zinc/52/89/59/928528959.db2.gz PSNPYVLXLBWHBH-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001438647074 928532029 /nfs/dbraw/zinc/53/20/29/928532029.db2.gz URKLKACIVSVZIV-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842835 928536117 /nfs/dbraw/zinc/53/61/17/928536117.db2.gz ZBLADVMJTSOBNT-UHFFFAOYSA-N 1 1 314.342 -1.280 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842835 928536122 /nfs/dbraw/zinc/53/61/22/928536122.db2.gz ZBLADVMJTSOBNT-UHFFFAOYSA-N 1 1 314.342 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438861245 928536421 /nfs/dbraw/zinc/53/64/21/928536421.db2.gz KQKRNXMPQWVMRU-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438861245 928536426 /nfs/dbraw/zinc/53/64/26/928536426.db2.gz KQKRNXMPQWVMRU-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](O)C(C)C ZINC001438870666 928537261 /nfs/dbraw/zinc/53/72/61/928537261.db2.gz DNMDTIRASDTPPY-LLVKDONJSA-N 1 1 302.375 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](O)C(C)C ZINC001438870666 928537268 /nfs/dbraw/zinc/53/72/68/928537268.db2.gz DNMDTIRASDTPPY-LLVKDONJSA-N 1 1 302.375 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001438872354 928537600 /nfs/dbraw/zinc/53/76/00/928537600.db2.gz NHUKUMFWUGNAOS-HZMBPMFUSA-N 1 1 312.370 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001438872354 928537605 /nfs/dbraw/zinc/53/76/05/928537605.db2.gz NHUKUMFWUGNAOS-HZMBPMFUSA-N 1 1 312.370 -1.131 20 0 DAADMO CCn1ncc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001438870065 928538110 /nfs/dbraw/zinc/53/81/10/928538110.db2.gz AASKUDORICHFEB-UHFFFAOYSA-N 1 1 311.346 -1.503 20 0 DAADMO CCn1ncc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001438870065 928538117 /nfs/dbraw/zinc/53/81/17/928538117.db2.gz AASKUDORICHFEB-UHFFFAOYSA-N 1 1 311.346 -1.503 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001438901446 928538895 /nfs/dbraw/zinc/53/88/95/928538895.db2.gz ZXBAWZRWNVAYEC-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438926598 928539503 /nfs/dbraw/zinc/53/95/03/928539503.db2.gz DIYWJUGDWJBBOS-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438926598 928539508 /nfs/dbraw/zinc/53/95/08/928539508.db2.gz DIYWJUGDWJBBOS-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1csnn1 ZINC001438896278 928539614 /nfs/dbraw/zinc/53/96/14/928539614.db2.gz SDMFHMODYATWCG-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1csnn1 ZINC001438896278 928539629 /nfs/dbraw/zinc/53/96/29/928539629.db2.gz SDMFHMODYATWCG-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539885 /nfs/dbraw/zinc/53/98/85/928539885.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)[C@@H](C)C(N)=O)C1 ZINC001438945459 928539897 /nfs/dbraw/zinc/53/98/97/928539897.db2.gz ITSIAECHYYFQSM-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438927299 928539967 /nfs/dbraw/zinc/53/99/67/928539967.db2.gz JFNVBROLFXCGDX-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438927299 928539977 /nfs/dbraw/zinc/53/99/77/928539977.db2.gz JFNVBROLFXCGDX-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001438940566 928540013 /nfs/dbraw/zinc/54/00/13/928540013.db2.gz YYKIIHDCTPMDBB-JTQLQIEISA-N 1 1 323.353 -1.622 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001438940566 928540018 /nfs/dbraw/zinc/54/00/18/928540018.db2.gz YYKIIHDCTPMDBB-JTQLQIEISA-N 1 1 323.353 -1.622 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001438893894 928540267 /nfs/dbraw/zinc/54/02/67/928540267.db2.gz HGFWWKNPFITZTB-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001438893894 928540280 /nfs/dbraw/zinc/54/02/80/928540280.db2.gz HGFWWKNPFITZTB-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001438902070 928540430 /nfs/dbraw/zinc/54/04/30/928540430.db2.gz LAMBSBDLKFLAQO-CYBMUJFWSA-N 1 1 318.349 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001438902070 928540437 /nfs/dbraw/zinc/54/04/37/928540437.db2.gz LAMBSBDLKFLAQO-CYBMUJFWSA-N 1 1 318.349 -1.039 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001438932218 928540597 /nfs/dbraw/zinc/54/05/97/928540597.db2.gz XWYOQWXEASSHRB-UHFFFAOYSA-N 1 1 322.431 -1.644 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001438932218 928540606 /nfs/dbraw/zinc/54/06/06/928540606.db2.gz XWYOQWXEASSHRB-UHFFFAOYSA-N 1 1 322.431 -1.644 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540934 /nfs/dbraw/zinc/54/09/34/928540934.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)[C@H](C)C(N)=O)C1 ZINC001438945442 928540944 /nfs/dbraw/zinc/54/09/44/928540944.db2.gz ITSIAECHYYFQSM-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001438919464 928541689 /nfs/dbraw/zinc/54/16/89/928541689.db2.gz QOUOUMJZRVBQFW-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001438919464 928541693 /nfs/dbraw/zinc/54/16/93/928541693.db2.gz QOUOUMJZRVBQFW-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438927301 928541730 /nfs/dbraw/zinc/54/17/30/928541730.db2.gz JFNVBROLFXCGDX-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438927301 928541735 /nfs/dbraw/zinc/54/17/35/928541735.db2.gz JFNVBROLFXCGDX-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001438901192 928541785 /nfs/dbraw/zinc/54/17/85/928541785.db2.gz KSGMMAPXNWXTML-ZNSHCXBVSA-N 1 1 312.370 -1.148 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001438901192 928541788 /nfs/dbraw/zinc/54/17/88/928541788.db2.gz KSGMMAPXNWXTML-ZNSHCXBVSA-N 1 1 312.370 -1.148 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438952910 928543317 /nfs/dbraw/zinc/54/33/17/928543317.db2.gz FYSJOGJAGUWCGF-XVKPBYJWSA-N 1 1 315.399 -1.062 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)nc1 ZINC001438966487 928546434 /nfs/dbraw/zinc/54/64/34/928546434.db2.gz CGOVUYHKRSUTOD-NWDGAFQWSA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)n1 ZINC001438965645 928547543 /nfs/dbraw/zinc/54/75/43/928547543.db2.gz WSNDTHCCSPSXKD-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)nc1 ZINC001438965688 928547976 /nfs/dbraw/zinc/54/79/76/928547976.db2.gz WXUBYBRIWUWFHN-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2ncccn2)C1 ZINC001438968912 928548037 /nfs/dbraw/zinc/54/80/37/928548037.db2.gz KZIVDHGZWFFHIA-NEPJUHHUSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2ncccn2)C1 ZINC001438968912 928548044 /nfs/dbraw/zinc/54/80/44/928548044.db2.gz KZIVDHGZWFFHIA-NEPJUHHUSA-N 1 1 309.370 -1.626 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)nc1 ZINC001438965687 928548137 /nfs/dbraw/zinc/54/81/37/928548137.db2.gz WXUBYBRIWUWFHN-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001438962820 928548271 /nfs/dbraw/zinc/54/82/71/928548271.db2.gz AYABUMSWFCEXJN-SNVBAGLBSA-N 1 1 311.342 -1.292 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)co1 ZINC001438970330 928549965 /nfs/dbraw/zinc/54/99/65/928549965.db2.gz MVVUHASOHQWGRK-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cccn1 ZINC001438970759 928550066 /nfs/dbraw/zinc/55/00/66/928550066.db2.gz GXTYAMPIZQSDJJ-CMPLNLGQSA-N 1 1 307.358 -1.161 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001438973021 928550096 /nfs/dbraw/zinc/55/00/96/928550096.db2.gz KENXHQZOOYWQBI-JTQLQIEISA-N 1 1 308.346 -1.313 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001438970866 928551544 /nfs/dbraw/zinc/55/15/44/928551544.db2.gz HEHJCAIKBLCVIL-GZMMTYOYSA-N 1 1 312.374 -1.281 20 0 DAADMO CSC[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001438979164 928552899 /nfs/dbraw/zinc/55/28/99/928552899.db2.gz GHBAWLZLSISLQZ-RKDXNWHRSA-N 1 1 302.404 -1.224 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2CC)nn1 ZINC001438983380 928555908 /nfs/dbraw/zinc/55/59/08/928555908.db2.gz MHMLMSZQDOEIPP-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001438982246 928556767 /nfs/dbraw/zinc/55/67/67/928556767.db2.gz KLUBKPBVOCTGDS-RYUDHWBXSA-N 1 1 300.403 -1.328 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001438987264 928558241 /nfs/dbraw/zinc/55/82/41/928558241.db2.gz VTHOBYPITDXLLD-IUCAKERBSA-N 1 1 322.373 -1.063 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cncnc1 ZINC001438987995 928558443 /nfs/dbraw/zinc/55/84/43/928558443.db2.gz ZUHRPVGRPKNOOS-NSHDSACASA-N 1 1 323.332 -1.082 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001438988105 928558536 /nfs/dbraw/zinc/55/85/36/928558536.db2.gz ZYTBRAMPLNXORL-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nonc2C)o1 ZINC001438987018 928558821 /nfs/dbraw/zinc/55/88/21/928558821.db2.gz TVCHHVHTZRGRSX-VIFPVBQESA-N 1 1 310.314 -1.121 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nonc2C)n1 ZINC001438986455 928559438 /nfs/dbraw/zinc/55/94/38/928559438.db2.gz SVCOGKUROBJGCE-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2nnnn2C)CC[N@H+]1C ZINC001438989957 928562208 /nfs/dbraw/zinc/56/22/08/928562208.db2.gz JLXZBIOOBFYAEA-OUAUKWLOSA-N 1 1 311.390 -1.883 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001438990959 928562624 /nfs/dbraw/zinc/56/26/24/928562624.db2.gz HUVKHIYIOQQDRY-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)CC1=O ZINC001439001392 928569040 /nfs/dbraw/zinc/56/90/40/928569040.db2.gz VSIPNYYGBGUKSF-ZJUUUORDSA-N 1 1 310.358 -2.140 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@H]1CCS(=O)(=O)C1 ZINC001439007387 928571949 /nfs/dbraw/zinc/57/19/49/928571949.db2.gz CMNFWMSIRDXMHS-GXSJLCMTSA-N 1 1 317.367 -1.324 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCS(=O)(=O)C1 ZINC001439007389 928572936 /nfs/dbraw/zinc/57/29/36/928572936.db2.gz CMNFWMSIRDXMHS-MWLCHTKSSA-N 1 1 317.367 -1.324 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001439012933 928574546 /nfs/dbraw/zinc/57/45/46/928574546.db2.gz KRVIFBHYNSYFAX-VHSXEESVSA-N 1 1 324.385 -1.621 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001439012279 928575249 /nfs/dbraw/zinc/57/52/49/928575249.db2.gz KMZPTISVORGYER-WZRBSPASSA-N 1 1 324.385 -1.408 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O ZINC001439011772 928575604 /nfs/dbraw/zinc/57/56/04/928575604.db2.gz SCHNRDUBLSYNCM-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO CCCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001439014542 928577410 /nfs/dbraw/zinc/57/74/10/928577410.db2.gz ISYBWGFHTBBFQR-SNVBAGLBSA-N 1 1 322.373 -1.234 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)[nH]1 ZINC001439015688 928577598 /nfs/dbraw/zinc/57/75/98/928577598.db2.gz XPDMOPXNWACREY-IONNQARKSA-N 1 1 319.387 -1.887 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)[nH]1 ZINC001439015680 928578162 /nfs/dbraw/zinc/57/81/62/928578162.db2.gz XPDMOPXNWACREY-CBAPKCEASA-N 1 1 319.387 -1.887 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(F)CCOC2)[nH]1 ZINC001439016804 928578402 /nfs/dbraw/zinc/57/84/02/928578402.db2.gz QMNZHWNFTSSODV-SKDRFNHKSA-N 1 1 301.322 -1.192 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)c(C)o1 ZINC001439020594 928579432 /nfs/dbraw/zinc/57/94/32/928579432.db2.gz AZXPGSIWCLIFMY-MWLCHTKSSA-N 1 1 311.342 -1.460 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CNC(=O)N1 ZINC001439020495 928579661 /nfs/dbraw/zinc/57/96/61/928579661.db2.gz AFBNJOMNDHKAOZ-UWVGGRQHSA-N 1 1 323.353 -1.200 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001439020276 928579833 /nfs/dbraw/zinc/57/98/33/928579833.db2.gz QEBYZVSGHFSCQB-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001439020271 928581002 /nfs/dbraw/zinc/58/10/02/928581002.db2.gz QEBYZVSGHFSCQB-SECBINFHSA-N 1 1 323.357 -1.562 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)c(C)o1 ZINC001439020598 928581184 /nfs/dbraw/zinc/58/11/84/928581184.db2.gz AZXPGSIWCLIFMY-ONGXEEELSA-N 1 1 311.342 -1.460 20 0 DAADMO Cc1nocc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001439026567 928582047 /nfs/dbraw/zinc/58/20/47/928582047.db2.gz OPDYJLRQWWCAOT-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)nn1 ZINC001439027544 928582640 /nfs/dbraw/zinc/58/26/40/928582640.db2.gz RHFKIECZWRTIJC-SNVBAGLBSA-N 1 1 323.357 -1.382 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001439025163 928582737 /nfs/dbraw/zinc/58/27/37/928582737.db2.gz WBERSTOBYLXDTG-HLTSFMKQSA-N 1 1 313.383 -1.465 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc1 ZINC001439026498 928583997 /nfs/dbraw/zinc/58/39/97/928583997.db2.gz OKKIOVRLLHVUTN-VHSXEESVSA-N 1 1 308.342 -1.967 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001439037023 928585481 /nfs/dbraw/zinc/58/54/81/928585481.db2.gz UKPDYQPHTZQEGZ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001439032237 928585556 /nfs/dbraw/zinc/58/55/56/928585556.db2.gz IHKWRXWORGTBQX-UWVGGRQHSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001439032239 928585785 /nfs/dbraw/zinc/58/57/85/928585785.db2.gz IHKWRXWORGTBQX-VHSXEESVSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439037607 928585984 /nfs/dbraw/zinc/58/59/84/928585984.db2.gz ZUKBXYZLMMGOIF-BDAKNGLRSA-N 1 1 311.346 -2.555 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncccn1 ZINC001439034880 928586690 /nfs/dbraw/zinc/58/66/90/928586690.db2.gz ADIWGKZCXATETD-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001439039856 928588267 /nfs/dbraw/zinc/58/82/67/928588267.db2.gz MHFPGNKLFMMBQK-JTQLQIEISA-N 1 1 319.369 -1.093 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001439039201 928589096 /nfs/dbraw/zinc/58/90/96/928589096.db2.gz JITJZYIYSVSVAD-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001439039201 928589104 /nfs/dbraw/zinc/58/91/04/928589104.db2.gz JITJZYIYSVSVAD-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cccnn1)c1nnnn1C ZINC001439046395 928590485 /nfs/dbraw/zinc/59/04/85/928590485.db2.gz WPQWDXGLGDVYQD-BDAKNGLRSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cccnn1)c1nnnn1C ZINC001439046397 928591260 /nfs/dbraw/zinc/59/12/60/928591260.db2.gz WPQWDXGLGDVYQD-IUCAKERBSA-N 1 1 306.330 -1.558 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)n2C)[nH]1 ZINC001439050178 928593290 /nfs/dbraw/zinc/59/32/90/928593290.db2.gz DOGWTPMLTSEJGX-VIFPVBQESA-N 1 1 323.357 -1.969 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ccnc2)n1 ZINC001439053713 928593870 /nfs/dbraw/zinc/59/38/70/928593870.db2.gz GNJLRDHBVNTFIL-GFCCVEGCSA-N 1 1 307.358 -1.239 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001439089240 928600301 /nfs/dbraw/zinc/60/03/01/928600301.db2.gz ZUXBTZXPURGACN-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001439129557 928601379 /nfs/dbraw/zinc/60/13/79/928601379.db2.gz TVQUZPQAFQDHOI-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1c[nH]nn1 ZINC001439156359 928601486 /nfs/dbraw/zinc/60/14/86/928601486.db2.gz LKJYRGSZYNHJMA-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1cnn[nH]1 ZINC001439156359 928601491 /nfs/dbraw/zinc/60/14/91/928601491.db2.gz LKJYRGSZYNHJMA-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)c1cnn[nH]1 ZINC001439125221 928601602 /nfs/dbraw/zinc/60/16/02/928601602.db2.gz QWYCHJMHVQMSDL-NXEZZACHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cccc(=O)n1C ZINC001439153650 928601613 /nfs/dbraw/zinc/60/16/13/928601613.db2.gz REJWFUCRPGYJPT-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1ccon1)C(N)=O ZINC001439157285 928602099 /nfs/dbraw/zinc/60/20/99/928602099.db2.gz AYZJZTBENJZYAR-KCJUWKMLSA-N 1 1 311.342 -1.351 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001439180421 928604213 /nfs/dbraw/zinc/60/42/13/928604213.db2.gz YXYUEEICTHGFTN-NWDGAFQWSA-N 1 1 300.403 -1.205 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCC(=O)NC1=O ZINC001439167711 928604436 /nfs/dbraw/zinc/60/44/36/928604436.db2.gz AZKDPMZORSSDBA-MRVPVSSYSA-N 1 1 324.345 -2.254 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001439183363 928604520 /nfs/dbraw/zinc/60/45/20/928604520.db2.gz RMYGUNRZUVHRMH-ZJUUUORDSA-N 1 1 313.383 -1.237 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001439224835 928606367 /nfs/dbraw/zinc/60/63/67/928606367.db2.gz DPXILMJMNQKEKU-QMMMGPOBSA-N 1 1 309.330 -1.432 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)cc1=O ZINC001439233504 928606948 /nfs/dbraw/zinc/60/69/48/928606948.db2.gz QCRQQRJGFZSBAZ-QMMMGPOBSA-N 1 1 321.341 -1.185 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001439220805 928607256 /nfs/dbraw/zinc/60/72/56/928607256.db2.gz JVSPSBJBHRSMAO-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439227499 928608130 /nfs/dbraw/zinc/60/81/30/928608130.db2.gz SBPWXSRGLQKSCV-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001439281173 928609459 /nfs/dbraw/zinc/60/94/59/928609459.db2.gz FGNMLEWBINAYKX-WCBMZHEXSA-N 1 1 316.387 -1.899 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)CN1CCOCC1 ZINC001439284264 928609689 /nfs/dbraw/zinc/60/96/89/928609689.db2.gz YXYUEEICTHGFTN-NEPJUHHUSA-N 1 1 300.403 -1.205 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439282789 928610413 /nfs/dbraw/zinc/61/04/13/928610413.db2.gz ODJWOLNMUNKHHM-ZETCQYMHSA-N 1 1 305.364 -2.646 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001439297884 928612975 /nfs/dbraw/zinc/61/29/75/928612975.db2.gz NIHWWKGDKIHGGI-YPMHNXCESA-N 1 1 311.386 -1.183 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001439317050 928612990 /nfs/dbraw/zinc/61/29/90/928612990.db2.gz LVHVKWUZIBFTBF-IUCAKERBSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001439317050 928612996 /nfs/dbraw/zinc/61/29/96/928612996.db2.gz LVHVKWUZIBFTBF-IUCAKERBSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001439296472 928613139 /nfs/dbraw/zinc/61/31/39/928613139.db2.gz RWOMVFJREYHLBL-DTWKUNHWSA-N 1 1 316.387 -1.618 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439306344 928613348 /nfs/dbraw/zinc/61/33/48/928613348.db2.gz SJXWLFQDPNRQPL-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001439297882 928613415 /nfs/dbraw/zinc/61/34/15/928613415.db2.gz NIHWWKGDKIHGGI-WCQYABFASA-N 1 1 311.386 -1.183 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326928 928613561 /nfs/dbraw/zinc/61/35/61/928613561.db2.gz DJZLTRLFOKSJBB-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326928 928613568 /nfs/dbraw/zinc/61/35/68/928613568.db2.gz DJZLTRLFOKSJBB-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001439328527 928613776 /nfs/dbraw/zinc/61/37/76/928613776.db2.gz OZWQUTWKDUSIBY-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001439328527 928613783 /nfs/dbraw/zinc/61/37/83/928613783.db2.gz OZWQUTWKDUSIBY-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439306341 928614637 /nfs/dbraw/zinc/61/46/37/928614637.db2.gz SJXWLFQDPNRQPL-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326931 928614768 /nfs/dbraw/zinc/61/47/68/928614768.db2.gz DJZLTRLFOKSJBB-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN(C)S(C)(=O)=O ZINC001439326931 928614777 /nfs/dbraw/zinc/61/47/77/928614777.db2.gz DJZLTRLFOKSJBB-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001439357657 928616026 /nfs/dbraw/zinc/61/60/26/928616026.db2.gz RREYMSZZOPOMAZ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001439357657 928616033 /nfs/dbraw/zinc/61/60/33/928616033.db2.gz RREYMSZZOPOMAZ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357164 928616774 /nfs/dbraw/zinc/61/67/74/928616774.db2.gz HCLWNDVULQHGQW-DTWKUNHWSA-N 1 1 323.419 -2.389 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357164 928616787 /nfs/dbraw/zinc/61/67/87/928616787.db2.gz HCLWNDVULQHGQW-DTWKUNHWSA-N 1 1 323.419 -2.389 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)cn2n1 ZINC001439382357 928618620 /nfs/dbraw/zinc/61/86/20/928618620.db2.gz CSYVJLBSSOKJRR-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)cn2n1 ZINC001439382357 928618638 /nfs/dbraw/zinc/61/86/38/928618638.db2.gz CSYVJLBSSOKJRR-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001439378181 928618848 /nfs/dbraw/zinc/61/88/48/928618848.db2.gz JMELKUITEMXDIB-JTQLQIEISA-N 1 1 312.370 -1.220 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)CC(=O)NC)C1 ZINC001439407699 928618912 /nfs/dbraw/zinc/61/89/12/928618912.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)CC(=O)NC)C1 ZINC001439407699 928618928 /nfs/dbraw/zinc/61/89/28/928618928.db2.gz NYHUZEXEMNVUOQ-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001439391199 928619144 /nfs/dbraw/zinc/61/91/44/928619144.db2.gz XNFFPSMUNFRIRH-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001439391199 928619152 /nfs/dbraw/zinc/61/91/52/928619152.db2.gz XNFFPSMUNFRIRH-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400222 928619174 /nfs/dbraw/zinc/61/91/74/928619174.db2.gz SBKQQWBAJPWWTQ-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400222 928619183 /nfs/dbraw/zinc/61/91/83/928619183.db2.gz SBKQQWBAJPWWTQ-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001439378535 928619717 /nfs/dbraw/zinc/61/97/17/928619717.db2.gz KNOPUIJFLYHXJJ-NSHDSACASA-N 1 1 322.369 -1.026 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001439468689 928621215 /nfs/dbraw/zinc/62/12/15/928621215.db2.gz DINAUMKGRCZPAI-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001439468695 928621275 /nfs/dbraw/zinc/62/12/75/928621275.db2.gz DINAUMKGRCZPAI-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001439496655 928622919 /nfs/dbraw/zinc/62/29/19/928622919.db2.gz HDHRPQONJWOBCQ-SECBINFHSA-N 1 1 310.362 -1.747 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001439474797 928623115 /nfs/dbraw/zinc/62/31/15/928623115.db2.gz SGKOJLGQYZDANA-VHSXEESVSA-N 1 1 307.358 -1.221 20 0 DAADMO O=C(CCn1cncn1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001439504332 928623219 /nfs/dbraw/zinc/62/32/19/928623219.db2.gz LNDHHWVBVFHKLE-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CCn1cncn1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001439504332 928623229 /nfs/dbraw/zinc/62/32/29/928623229.db2.gz LNDHHWVBVFHKLE-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001439474798 928623645 /nfs/dbraw/zinc/62/36/45/928623645.db2.gz SGKOJLGQYZDANA-ZJUUUORDSA-N 1 1 307.358 -1.221 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001439478151 928623752 /nfs/dbraw/zinc/62/37/52/928623752.db2.gz RQKNQMQHFJGQQJ-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439523079 928626760 /nfs/dbraw/zinc/62/67/60/928626760.db2.gz KBJNBIBICGEUBY-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001439558241 928628100 /nfs/dbraw/zinc/62/81/00/928628100.db2.gz JSQLVNTVJBYZAN-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001439557379 928628432 /nfs/dbraw/zinc/62/84/32/928628432.db2.gz IISDANIOJDGWMI-NSHDSACASA-N 1 1 304.416 -1.017 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001439558166 928629309 /nfs/dbraw/zinc/62/93/09/928629309.db2.gz IJHDJFNWKPTPTJ-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001439558166 928629315 /nfs/dbraw/zinc/62/93/15/928629315.db2.gz IJHDJFNWKPTPTJ-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001439558243 928629477 /nfs/dbraw/zinc/62/94/77/928629477.db2.gz JSQLVNTVJBYZAN-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563804 928630923 /nfs/dbraw/zinc/63/09/23/928630923.db2.gz FGQOKLFPCGYHNM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563804 928630936 /nfs/dbraw/zinc/63/09/36/928630936.db2.gz FGQOKLFPCGYHNM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563801 928631389 /nfs/dbraw/zinc/63/13/89/928631389.db2.gz FGQOKLFPCGYHNM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563801 928631394 /nfs/dbraw/zinc/63/13/94/928631394.db2.gz FGQOKLFPCGYHNM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001439635129 928635127 /nfs/dbraw/zinc/63/51/27/928635127.db2.gz RYXYWBAADQYAGV-QMMMGPOBSA-N 1 1 310.358 -1.642 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)nn1 ZINC001439655827 928636832 /nfs/dbraw/zinc/63/68/32/928636832.db2.gz LMICNFNGEYURHA-WDEREUQCSA-N 1 1 322.369 -1.414 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC001439719184 928638441 /nfs/dbraw/zinc/63/84/41/928638441.db2.gz CZESCBDFPNRKLX-CYBMUJFWSA-N 1 1 322.325 -1.198 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC001439719184 928638449 /nfs/dbraw/zinc/63/84/49/928638449.db2.gz CZESCBDFPNRKLX-CYBMUJFWSA-N 1 1 322.325 -1.198 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439731543 928640922 /nfs/dbraw/zinc/64/09/22/928640922.db2.gz YPMPSEYURIUFBC-UHFFFAOYSA-N 1 1 322.431 -1.750 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001439739336 928641584 /nfs/dbraw/zinc/64/15/84/928641584.db2.gz ZKKYBGKIZTWVAP-VIFPVBQESA-N 1 1 300.359 -2.238 20 0 DAADMO CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001439807121 928643994 /nfs/dbraw/zinc/64/39/94/928643994.db2.gz XNUMEQDDKQMJPE-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001439846552 928644925 /nfs/dbraw/zinc/64/49/25/928644925.db2.gz OHVKFVNVQJTSLB-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439844631 928644941 /nfs/dbraw/zinc/64/49/41/928644941.db2.gz MEQURIFYAOULQQ-CMPLNLGQSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001439837456 928644972 /nfs/dbraw/zinc/64/49/72/928644972.db2.gz YJYUCEFEKZBMGG-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@]1(NC(=O)CCn2ccnn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439849267 928645224 /nfs/dbraw/zinc/64/52/24/928645224.db2.gz KSAGPDOZLWHQIZ-CYBMUJFWSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@@]1(NC(=O)CCn2ccnn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439849267 928645233 /nfs/dbraw/zinc/64/52/33/928645233.db2.gz KSAGPDOZLWHQIZ-CYBMUJFWSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838646 928645488 /nfs/dbraw/zinc/64/54/88/928645488.db2.gz SBKYNDRVTMUNIB-HZMBPMFUSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838646 928645496 /nfs/dbraw/zinc/64/54/96/928645496.db2.gz SBKYNDRVTMUNIB-HZMBPMFUSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001439854078 928646022 /nfs/dbraw/zinc/64/60/22/928646022.db2.gz ZEPFGVUIBKYMIB-AWEZNQCLSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001439854078 928646028 /nfs/dbraw/zinc/64/60/28/928646028.db2.gz ZEPFGVUIBKYMIB-AWEZNQCLSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001439840524 928646135 /nfs/dbraw/zinc/64/61/35/928646135.db2.gz YQDTWLWBKYDKQK-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001439856082 928646675 /nfs/dbraw/zinc/64/66/75/928646675.db2.gz PFVLJBNAFLXKSY-AWEZNQCLSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001439856082 928646681 /nfs/dbraw/zinc/64/66/81/928646681.db2.gz PFVLJBNAFLXKSY-AWEZNQCLSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001439842936 928647003 /nfs/dbraw/zinc/64/70/03/928647003.db2.gz JAHYPQVMQPBVAI-CYBMUJFWSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001439842936 928647007 /nfs/dbraw/zinc/64/70/07/928647007.db2.gz JAHYPQVMQPBVAI-CYBMUJFWSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001439860590 928648544 /nfs/dbraw/zinc/64/85/44/928648544.db2.gz ZHLQJWNMMKRAGM-YGRLFVJLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001439928372 928649559 /nfs/dbraw/zinc/64/95/59/928649559.db2.gz BSLOIPGANKMKIE-ZWNOBZJWSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@]1(NC(=O)CN2CCNC(=O)C2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439860620 928649657 /nfs/dbraw/zinc/64/96/57/928649657.db2.gz VAEXTALWVWEXLO-XHDPSFHLSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@@]1(NC(=O)CN2CCNC(=O)C2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439860620 928649661 /nfs/dbraw/zinc/64/96/61/928649661.db2.gz VAEXTALWVWEXLO-XHDPSFHLSA-N 1 1 323.397 -2.113 20 0 DAADMO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976698 928650830 /nfs/dbraw/zinc/65/08/30/928650830.db2.gz DMUKRJWXHAYIQR-JQWIXIFHSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976698 928650838 /nfs/dbraw/zinc/65/08/38/928650838.db2.gz DMUKRJWXHAYIQR-JQWIXIFHSA-N 1 1 308.400 -1.381 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncc2)C1 ZINC001439968665 928651165 /nfs/dbraw/zinc/65/11/65/928651165.db2.gz IUOHDPMUISTLTA-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncc2)C1 ZINC001439968665 928651171 /nfs/dbraw/zinc/65/11/71/928651171.db2.gz IUOHDPMUISTLTA-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976701 928651211 /nfs/dbraw/zinc/65/12/11/928651211.db2.gz DMUKRJWXHAYIQR-PWSUYJOCSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976701 928651220 /nfs/dbraw/zinc/65/12/20/928651220.db2.gz DMUKRJWXHAYIQR-PWSUYJOCSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001439969250 928651849 /nfs/dbraw/zinc/65/18/49/928651849.db2.gz APNRCZRVHRFJGU-SMDDNHRTSA-N 1 1 304.387 -1.292 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001439974976 928652173 /nfs/dbraw/zinc/65/21/73/928652173.db2.gz CGGLSSTZXIMPIY-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001439974976 928652180 /nfs/dbraw/zinc/65/21/80/928652180.db2.gz CGGLSSTZXIMPIY-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc(C)on2)C1 ZINC001439979665 928653560 /nfs/dbraw/zinc/65/35/60/928653560.db2.gz IFNLPIIAULTATF-AWEZNQCLSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc(C)on2)C1 ZINC001439979665 928653566 /nfs/dbraw/zinc/65/35/66/928653566.db2.gz IFNLPIIAULTATF-AWEZNQCLSA-N 1 1 310.354 -1.175 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439980295 928653957 /nfs/dbraw/zinc/65/39/57/928653957.db2.gz YWLLZCYWLPPJTK-CYBMUJFWSA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439980295 928653964 /nfs/dbraw/zinc/65/39/64/928653964.db2.gz YWLLZCYWLPPJTK-CYBMUJFWSA-N 1 1 300.359 -2.236 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001439981531 928654053 /nfs/dbraw/zinc/65/40/53/928654053.db2.gz JRFYQIPYMIKWHC-FZMZJTMJSA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc(C)on2)C1 ZINC001439979673 928654185 /nfs/dbraw/zinc/65/41/85/928654185.db2.gz IFNLPIIAULTATF-CQSZACIVSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc(C)on2)C1 ZINC001439979673 928654189 /nfs/dbraw/zinc/65/41/89/928654189.db2.gz IFNLPIIAULTATF-CQSZACIVSA-N 1 1 310.354 -1.175 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc[nH]2)C1 ZINC001439979855 928654261 /nfs/dbraw/zinc/65/42/61/928654261.db2.gz KQMRTQNTJXLUOI-CQSZACIVSA-N 1 1 323.353 -1.363 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc[nH]2)C1 ZINC001439979855 928654266 /nfs/dbraw/zinc/65/42/66/928654266.db2.gz KQMRTQNTJXLUOI-CQSZACIVSA-N 1 1 323.353 -1.363 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978691 928654480 /nfs/dbraw/zinc/65/44/80/928654480.db2.gz LZKWCMCCCHTBEV-GXTWGEPZSA-N 1 1 301.387 -1.748 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978695 928655000 /nfs/dbraw/zinc/65/50/00/928655000.db2.gz LZKWCMCCCHTBEV-JSGCOSHPSA-N 1 1 301.387 -1.748 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001439978221 928655120 /nfs/dbraw/zinc/65/51/20/928655120.db2.gz WEOVGPKYROSRCW-ZANVPECISA-N 1 1 300.359 -1.077 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001439978221 928655126 /nfs/dbraw/zinc/65/51/26/928655126.db2.gz WEOVGPKYROSRCW-ZANVPECISA-N 1 1 300.359 -1.077 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001439978214 928655182 /nfs/dbraw/zinc/65/51/82/928655182.db2.gz WEOVGPKYROSRCW-NOZJJQNGSA-N 1 1 300.359 -1.077 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001439978214 928655187 /nfs/dbraw/zinc/65/51/87/928655187.db2.gz WEOVGPKYROSRCW-NOZJJQNGSA-N 1 1 300.359 -1.077 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439987842 928656481 /nfs/dbraw/zinc/65/64/81/928656481.db2.gz HTYQXYDQYJTLDP-CYBMUJFWSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439987842 928656486 /nfs/dbraw/zinc/65/64/86/928656486.db2.gz HTYQXYDQYJTLDP-CYBMUJFWSA-N 1 1 323.357 -2.495 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001439984569 928656843 /nfs/dbraw/zinc/65/68/43/928656843.db2.gz SMHFMZCMEMQSTL-RISCZKNCSA-N 1 1 324.385 -1.472 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001439984569 928656847 /nfs/dbraw/zinc/65/68/47/928656847.db2.gz SMHFMZCMEMQSTL-RISCZKNCSA-N 1 1 324.385 -1.472 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439983546 928657248 /nfs/dbraw/zinc/65/72/48/928657248.db2.gz RCROPCBVRDVAQT-IUODEOHRSA-N 1 1 323.397 -1.087 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001439984556 928657847 /nfs/dbraw/zinc/65/78/47/928657847.db2.gz SMHFMZCMEMQSTL-FZMZJTMJSA-N 1 1 324.385 -1.472 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001439984556 928657865 /nfs/dbraw/zinc/65/78/65/928657865.db2.gz SMHFMZCMEMQSTL-FZMZJTMJSA-N 1 1 324.385 -1.472 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439986152 928657959 /nfs/dbraw/zinc/65/79/59/928657959.db2.gz BHWOLDVCDYWQAM-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439986152 928657970 /nfs/dbraw/zinc/65/79/70/928657970.db2.gz BHWOLDVCDYWQAM-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439984585 928658152 /nfs/dbraw/zinc/65/81/52/928658152.db2.gz AHNZQRZMNFPLNO-OAHLLOKOSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001439986064 928658244 /nfs/dbraw/zinc/65/82/44/928658244.db2.gz XVUORRUOWMQPBC-AWEZNQCLSA-N 1 1 312.370 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001439986064 928658253 /nfs/dbraw/zinc/65/82/53/928658253.db2.gz XVUORRUOWMQPBC-AWEZNQCLSA-N 1 1 312.370 -2.092 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001439985622 928658320 /nfs/dbraw/zinc/65/83/20/928658320.db2.gz RTOILNQUWHJUJU-UFBFGSQYSA-N 1 1 302.331 -2.231 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001439985622 928658326 /nfs/dbraw/zinc/65/83/26/928658326.db2.gz RTOILNQUWHJUJU-UFBFGSQYSA-N 1 1 302.331 -2.231 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cnc2n[nH]nc2c1 ZINC001439985663 928658394 /nfs/dbraw/zinc/65/83/94/928658394.db2.gz CGOAGHACTUFHJF-AWEZNQCLSA-N 1 1 320.353 -1.098 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001439986875 928658600 /nfs/dbraw/zinc/65/86/00/928658600.db2.gz FKKIPAAWWABPOY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001439986875 928658605 /nfs/dbraw/zinc/65/86/05/928658605.db2.gz FKKIPAAWWABPOY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001439988813 928659673 /nfs/dbraw/zinc/65/96/73/928659673.db2.gz LVNHAZSMILWLHC-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001439988813 928659680 /nfs/dbraw/zinc/65/96/80/928659680.db2.gz LVNHAZSMILWLHC-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cn2c(n1)COCC2 ZINC001439992554 928659699 /nfs/dbraw/zinc/65/96/99/928659699.db2.gz MKZBHGQBXZQRIB-HNNXBMFYSA-N 1 1 324.381 -1.038 20 0 DAADMO COCCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)n1 ZINC001439997232 928659747 /nfs/dbraw/zinc/65/97/47/928659747.db2.gz HDGCEFXJWZKTII-AWEZNQCLSA-N 1 1 312.370 -1.312 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992443 928659986 /nfs/dbraw/zinc/65/99/86/928659986.db2.gz LZSUQEDBNSJBME-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439993518 928660226 /nfs/dbraw/zinc/66/02/26/928660226.db2.gz XRNZPAXFKRPXKB-LBPRGKRZSA-N 1 1 307.416 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccccc2=O)C1 ZINC001439992611 928660250 /nfs/dbraw/zinc/66/02/50/928660250.db2.gz ULJSIBAREYHUIC-HNNXBMFYSA-N 1 1 322.365 -1.723 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccccc2=O)C1 ZINC001439992611 928660256 /nfs/dbraw/zinc/66/02/56/928660256.db2.gz ULJSIBAREYHUIC-HNNXBMFYSA-N 1 1 322.365 -1.723 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001439996993 928660279 /nfs/dbraw/zinc/66/02/79/928660279.db2.gz ZWNRAMYATIOCIC-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992039 928660547 /nfs/dbraw/zinc/66/05/47/928660547.db2.gz WZVYURRYRLHDPL-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992039 928660556 /nfs/dbraw/zinc/66/05/56/928660556.db2.gz WZVYURRYRLHDPL-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO COCC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCOCC1 ZINC001439994018 928660695 /nfs/dbraw/zinc/66/06/95/928660695.db2.gz ZRZNGTAMPTYSBB-HNNXBMFYSA-N 1 1 316.398 -1.025 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001439991811 928660715 /nfs/dbraw/zinc/66/07/15/928660715.db2.gz RWEGIMSIJSZWHG-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001439991811 928660721 /nfs/dbraw/zinc/66/07/21/928660721.db2.gz RWEGIMSIJSZWHG-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001439991804 928660749 /nfs/dbraw/zinc/66/07/49/928660749.db2.gz RVIXWZICVOSTKQ-ZDUSSCGKSA-N 1 1 314.342 -3.117 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001439991804 928660755 /nfs/dbraw/zinc/66/07/55/928660755.db2.gz RVIXWZICVOSTKQ-ZDUSSCGKSA-N 1 1 314.342 -3.117 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001439995202 928660839 /nfs/dbraw/zinc/66/08/39/928660839.db2.gz BTBAYGGOFGOEJH-YGRLFVJLSA-N 1 1 320.353 -1.328 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001440004617 928662305 /nfs/dbraw/zinc/66/23/05/928662305.db2.gz OZUTYVYCQAFXDE-ZYHUDNBSSA-N 1 1 308.400 -1.381 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001440004617 928662313 /nfs/dbraw/zinc/66/23/13/928662313.db2.gz OZUTYVYCQAFXDE-ZYHUDNBSSA-N 1 1 308.400 -1.381 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001440000124 928662412 /nfs/dbraw/zinc/66/24/12/928662412.db2.gz NFTAKYKRFYDCRI-YGRLFVJLSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001440000124 928662424 /nfs/dbraw/zinc/66/24/24/928662424.db2.gz NFTAKYKRFYDCRI-YGRLFVJLSA-N 1 1 312.370 -2.094 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1ccc2nnnn2c1 ZINC001440003379 928662989 /nfs/dbraw/zinc/66/29/89/928662989.db2.gz SRKQJSHRJZABCP-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007464 928663107 /nfs/dbraw/zinc/66/31/07/928663107.db2.gz KITCEHZUQXAAFF-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007464 928663110 /nfs/dbraw/zinc/66/31/10/928663110.db2.gz KITCEHZUQXAAFF-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440006413 928663139 /nfs/dbraw/zinc/66/31/39/928663139.db2.gz HNZWONWNLSINHN-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440006413 928663148 /nfs/dbraw/zinc/66/31/48/928663148.db2.gz HNZWONWNLSINHN-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001440007863 928663442 /nfs/dbraw/zinc/66/34/42/928663442.db2.gz HAUBRKBZASYRCW-RNCFNFMXSA-N 1 1 313.358 -2.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001440007863 928663445 /nfs/dbraw/zinc/66/34/45/928663445.db2.gz HAUBRKBZASYRCW-RNCFNFMXSA-N 1 1 313.358 -2.691 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001440008436 928663729 /nfs/dbraw/zinc/66/37/29/928663729.db2.gz OIEBRNITTMJCAJ-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440008107 928663857 /nfs/dbraw/zinc/66/38/57/928663857.db2.gz VIIPWIVBFJKVMI-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440008107 928663867 /nfs/dbraw/zinc/66/38/67/928663867.db2.gz VIIPWIVBFJKVMI-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001440008433 928664119 /nfs/dbraw/zinc/66/41/19/928664119.db2.gz OIEBRNITTMJCAJ-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440022320 928668761 /nfs/dbraw/zinc/66/87/61/928668761.db2.gz KBRIERUYZIVCEN-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001440021785 928668955 /nfs/dbraw/zinc/66/89/55/928668955.db2.gz VKPBKBXBSBECFY-QMTHXVAHSA-N 1 1 322.369 -2.121 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001440021785 928668957 /nfs/dbraw/zinc/66/89/57/928668957.db2.gz VKPBKBXBSBECFY-QMTHXVAHSA-N 1 1 322.369 -2.121 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cscn2)C1 ZINC001440016877 928669028 /nfs/dbraw/zinc/66/90/28/928669028.db2.gz ULOJFRWALNJQRO-ZDUSSCGKSA-N 1 1 312.395 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cscn2)C1 ZINC001440016877 928669033 /nfs/dbraw/zinc/66/90/33/928669033.db2.gz ULOJFRWALNJQRO-ZDUSSCGKSA-N 1 1 312.395 -1.015 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440016384 928669454 /nfs/dbraw/zinc/66/94/54/928669454.db2.gz RWQJXQACPXGLMN-TVQRCGJNSA-N 1 1 308.342 -2.211 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440016384 928669463 /nfs/dbraw/zinc/66/94/63/928669463.db2.gz RWQJXQACPXGLMN-TVQRCGJNSA-N 1 1 308.342 -2.211 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001440021066 928669651 /nfs/dbraw/zinc/66/96/51/928669651.db2.gz JKCKAZSRKMDRJE-ZUZCIYMTSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001440021066 928669662 /nfs/dbraw/zinc/66/96/62/928669662.db2.gz JKCKAZSRKMDRJE-ZUZCIYMTSA-N 1 1 321.381 -1.447 20 0 DAADMO COc1cccnc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440022103 928670123 /nfs/dbraw/zinc/67/01/23/928670123.db2.gz PJWBPLALJGBVPR-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1cccnc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440022103 928670130 /nfs/dbraw/zinc/67/01/30/928670130.db2.gz PJWBPLALJGBVPR-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001440020921 928670237 /nfs/dbraw/zinc/67/02/37/928670237.db2.gz GRAHKOXUGCYLGX-IUODEOHRSA-N 1 1 309.366 -1.218 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001440017378 928670394 /nfs/dbraw/zinc/67/03/94/928670394.db2.gz URLXMFLTCRYFIO-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440020932 928670475 /nfs/dbraw/zinc/67/04/75/928670475.db2.gz ITHOUDWKJYMDMJ-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440020932 928670494 /nfs/dbraw/zinc/67/04/94/928670494.db2.gz ITHOUDWKJYMDMJ-AWEZNQCLSA-N 1 1 319.369 -1.166 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440028119 928671501 /nfs/dbraw/zinc/67/15/01/928671501.db2.gz BADPTNYDVAEXAI-FZMZJTMJSA-N 1 1 311.386 -1.319 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001440026171 928671548 /nfs/dbraw/zinc/67/15/48/928671548.db2.gz WDVUBWCQSKZKEB-HNNXBMFYSA-N 1 1 322.365 -1.400 20 0 DAADMO CO[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001440027449 928671635 /nfs/dbraw/zinc/67/16/35/928671635.db2.gz KSFWUHYGAFRASQ-LBPRGKRZSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440028123 928671730 /nfs/dbraw/zinc/67/17/30/928671730.db2.gz BADPTNYDVAEXAI-SMDDNHRTSA-N 1 1 311.386 -1.319 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029101 928672597 /nfs/dbraw/zinc/67/25/97/928672597.db2.gz CVBKRNIKNSDSKX-IINYFYTJSA-N 1 1 309.370 -1.438 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029101 928672605 /nfs/dbraw/zinc/67/26/05/928672605.db2.gz CVBKRNIKNSDSKX-IINYFYTJSA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001440025206 928672679 /nfs/dbraw/zinc/67/26/79/928672679.db2.gz VFEDFNXBLXGTIS-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001440025206 928672685 /nfs/dbraw/zinc/67/26/85/928672685.db2.gz VFEDFNXBLXGTIS-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440030498 928674204 /nfs/dbraw/zinc/67/42/04/928674204.db2.gz HRBSCDFSDPLIPW-HNNXBMFYSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440030498 928674208 /nfs/dbraw/zinc/67/42/08/928674208.db2.gz HRBSCDFSDPLIPW-HNNXBMFYSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001440052689 928681928 /nfs/dbraw/zinc/68/19/28/928681928.db2.gz BACPLHGCKLCXBD-UHFFFAOYSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)CC[N@H+]1C ZINC001440058843 928683992 /nfs/dbraw/zinc/68/39/92/928683992.db2.gz XQMKENZVKKBBSQ-CHWSQXEVSA-N 1 1 322.413 -1.219 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001440058001 928684197 /nfs/dbraw/zinc/68/41/97/928684197.db2.gz SXEVCOACUMYTFE-NWDGAFQWSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCC(=O)NC1 ZINC001440064410 928686358 /nfs/dbraw/zinc/68/63/58/928686358.db2.gz WCOTTZMXHSDXBI-NEPJUHHUSA-N 1 1 311.382 -1.288 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001440081005 928689747 /nfs/dbraw/zinc/68/97/47/928689747.db2.gz OQMFJNRCDBMLHR-JTQLQIEISA-N 1 1 312.370 -1.207 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001440094750 928693518 /nfs/dbraw/zinc/69/35/18/928693518.db2.gz JHFATIIEEIRRSO-VXGBXAGGSA-N 1 1 310.398 -1.620 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001440095982 928693624 /nfs/dbraw/zinc/69/36/24/928693624.db2.gz WYEVGLVBEJBMGG-JTQLQIEISA-N 1 1 300.359 -2.645 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CC(N)=O)C2)C1 ZINC001440095982 928693630 /nfs/dbraw/zinc/69/36/30/928693630.db2.gz WYEVGLVBEJBMGG-JTQLQIEISA-N 1 1 300.359 -2.645 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CC2CC(C)C2)C1 ZINC001440096472 928694107 /nfs/dbraw/zinc/69/41/07/928694107.db2.gz SNKFELJZDPMNCI-UHFFFAOYSA-N 1 1 319.427 -1.255 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001440150485 928696887 /nfs/dbraw/zinc/69/68/87/928696887.db2.gz OSEYVJMQFXVVQA-PHIMTYICSA-N 1 1 305.400 -1.562 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C1 ZINC001440150539 928697156 /nfs/dbraw/zinc/69/71/56/928697156.db2.gz NXVQGKIMRZXWMG-RTXFEEFZSA-N 1 1 310.398 -1.011 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001440170670 928698826 /nfs/dbraw/zinc/69/88/26/928698826.db2.gz DHBVCNVXVUUUDI-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171643 928699057 /nfs/dbraw/zinc/69/90/57/928699057.db2.gz DDBXWHUVQZYNIC-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171643 928699066 /nfs/dbraw/zinc/69/90/66/928699066.db2.gz DDBXWHUVQZYNIC-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440172730 928699136 /nfs/dbraw/zinc/69/91/36/928699136.db2.gz JLRKDVIBCOMXSY-SMDDNHRTSA-N 1 1 301.387 -1.164 20 0 DAADMO C[C@H](CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)NC(N)=O ZINC001440181253 928700526 /nfs/dbraw/zinc/70/05/26/928700526.db2.gz YNNWGUWRTXUROR-ZWNOBZJWSA-N 1 1 302.375 -1.631 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176003 928701385 /nfs/dbraw/zinc/70/13/85/928701385.db2.gz PPWFYYJIVFFSMU-CQSZACIVSA-N 1 1 315.370 -2.219 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001440183614 928701711 /nfs/dbraw/zinc/70/17/11/928701711.db2.gz FXDFYMKMJVMTDG-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001440186423 928701900 /nfs/dbraw/zinc/70/19/00/928701900.db2.gz BOIBNARFOVJOOW-ABAIWWIYSA-N 1 1 324.381 -1.282 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176485 928701994 /nfs/dbraw/zinc/70/19/94/928701994.db2.gz QUZMLQHVWHTJFG-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001440180584 928702477 /nfs/dbraw/zinc/70/24/77/928702477.db2.gz BJSBKKYXQUDOJT-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001440187614 928702502 /nfs/dbraw/zinc/70/25/02/928702502.db2.gz SUDIFDOEYDLDRC-ZDUSSCGKSA-N 1 1 312.374 -1.347 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@@H+](CC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001440184401 928702512 /nfs/dbraw/zinc/70/25/12/928702512.db2.gz JFDBCUCJQGMRHM-XHDPSFHLSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1cccn1)c1nnnn1C ZINC001440201770 928703219 /nfs/dbraw/zinc/70/32/19/928703219.db2.gz TVJTUZGKYAIESH-LLVKDONJSA-N 1 1 322.373 -1.422 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001440195822 928703806 /nfs/dbraw/zinc/70/38/06/928703806.db2.gz UNYYCQJGECNBCG-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1)c1nncn1C ZINC001440200372 928704830 /nfs/dbraw/zinc/70/48/30/928704830.db2.gz MWYVUCROSMZPKK-GHMZBOCLSA-N 1 1 324.385 -1.435 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001440196763 928704963 /nfs/dbraw/zinc/70/49/63/928704963.db2.gz NWSVDPKMWGRNJS-RWMBFGLXSA-N 1 1 324.385 -1.254 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001440202812 928705067 /nfs/dbraw/zinc/70/50/67/928705067.db2.gz PPHCKDVIQWSBKE-YNEHKIRRSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001440274288 928711317 /nfs/dbraw/zinc/71/13/17/928711317.db2.gz FRYOMALSFSXSNO-AOOOYVTPSA-N 1 1 319.373 -1.136 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001440375641 928717077 /nfs/dbraw/zinc/71/70/77/928717077.db2.gz MLKDXHUWJOLBBX-NSHDSACASA-N 1 1 324.385 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001440375636 928717413 /nfs/dbraw/zinc/71/74/13/928717413.db2.gz MLKDXHUWJOLBBX-LLVKDONJSA-N 1 1 324.385 -1.044 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001440397951 928719608 /nfs/dbraw/zinc/71/96/08/928719608.db2.gz YICQIODHVUDUMV-PWSUYJOCSA-N 1 1 324.385 -1.356 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001440404003 928720585 /nfs/dbraw/zinc/72/05/85/928720585.db2.gz NWHQYZNUDOFVGP-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001440391895 928721173 /nfs/dbraw/zinc/72/11/73/928721173.db2.gz NLCOMIWLIWVFRW-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001440456153 928722011 /nfs/dbraw/zinc/72/20/11/928722011.db2.gz MTNRIBHQSVDRMR-NSHDSACASA-N 1 1 322.369 -1.369 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440455328 928722202 /nfs/dbraw/zinc/72/22/02/928722202.db2.gz LUZWBGWNMDXJKX-JQWIXIFHSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440455328 928722209 /nfs/dbraw/zinc/72/22/09/928722209.db2.gz LUZWBGWNMDXJKX-JQWIXIFHSA-N 1 1 314.386 -1.718 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001440479080 928725248 /nfs/dbraw/zinc/72/52/48/928725248.db2.gz FLQCZRXZZOBEPN-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001440491410 928725317 /nfs/dbraw/zinc/72/53/17/928725317.db2.gz DYIMLRNQLCTNSQ-MXWKQRLJSA-N 1 1 310.354 -1.030 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001440463101 928725704 /nfs/dbraw/zinc/72/57/04/928725704.db2.gz ZRVVSSMUHSIOMH-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001440456899 928725985 /nfs/dbraw/zinc/72/59/85/928725985.db2.gz QIJFKWDXWSMAJO-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001440456899 928725992 /nfs/dbraw/zinc/72/59/92/928725992.db2.gz QIJFKWDXWSMAJO-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO Cn1cnc(C(=O)N2CCC(O)(C[NH2+]Cc3cnon3)CC2)n1 ZINC001440630589 928734251 /nfs/dbraw/zinc/73/42/51/928734251.db2.gz FTIFFGXUYSYXNK-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC001440626924 928734389 /nfs/dbraw/zinc/73/43/89/928734389.db2.gz VNOJLUDDKKNSRK-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440637136 928736824 /nfs/dbraw/zinc/73/68/24/928736824.db2.gz POJNUGHPAAHGHM-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440637136 928736828 /nfs/dbraw/zinc/73/68/28/928736828.db2.gz POJNUGHPAAHGHM-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001440655973 928736836 /nfs/dbraw/zinc/73/68/36/928736836.db2.gz ZXJQEKUPRLRYHC-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001440729973 928740014 /nfs/dbraw/zinc/74/00/14/928740014.db2.gz HMVRGYUIDVKOHE-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001440723667 928740257 /nfs/dbraw/zinc/74/02/57/928740257.db2.gz IANGRVGCPFCHQR-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001440695009 928741523 /nfs/dbraw/zinc/74/15/23/928741523.db2.gz AOCBEXLKKCUJPC-ZETOZRRWSA-N 1 1 311.382 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001440694776 928741533 /nfs/dbraw/zinc/74/15/33/928741533.db2.gz DLPJRCOARXYZRN-NNYUYHANSA-N 1 1 311.382 -1.304 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001440736783 928742867 /nfs/dbraw/zinc/74/28/67/928742867.db2.gz SEWKHNVTVXTEDI-VIFPVBQESA-N 1 1 320.353 -1.403 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC001440736783 928742876 /nfs/dbraw/zinc/74/28/76/928742876.db2.gz SEWKHNVTVXTEDI-VIFPVBQESA-N 1 1 320.353 -1.403 20 0 DAADMO C[C@H](NC(=O)CNC(=O)C1CC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440777704 928743148 /nfs/dbraw/zinc/74/31/48/928743148.db2.gz HMCGZQXOYMVEEY-IUCAKERBSA-N 1 1 309.374 -1.281 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001440738085 928743307 /nfs/dbraw/zinc/74/33/07/928743307.db2.gz VWHZQVSUVCARQG-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@@H](C)C(N)=O ZINC001440735915 928743527 /nfs/dbraw/zinc/74/35/27/928743527.db2.gz RFLREHBAZUILEK-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H](C)C(N)=O ZINC001440735915 928743529 /nfs/dbraw/zinc/74/35/29/928743529.db2.gz RFLREHBAZUILEK-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1ncccn1 ZINC001440829487 928744842 /nfs/dbraw/zinc/74/48/42/928744842.db2.gz RNGKAWUSJXELEQ-RYUDHWBXSA-N 1 1 320.397 -1.109 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001440783262 928744893 /nfs/dbraw/zinc/74/48/93/928744893.db2.gz GTQTZDDXFMWMIG-RKDXNWHRSA-N 1 1 319.387 -1.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001440783251 928745510 /nfs/dbraw/zinc/74/55/10/928745510.db2.gz GTQTZDDXFMWMIG-BDAKNGLRSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1nncn1C ZINC001440812878 928745630 /nfs/dbraw/zinc/74/56/30/928745630.db2.gz TZQUTCRRNZQNCP-IUCAKERBSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1nncn1C ZINC001440812875 928746024 /nfs/dbraw/zinc/74/60/24/928746024.db2.gz TZQUTCRRNZQNCP-DTWKUNHWSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001440804612 928746748 /nfs/dbraw/zinc/74/67/48/928746748.db2.gz VEKWAJBHCXQLFH-ZJUUUORDSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440895225 928748455 /nfs/dbraw/zinc/74/84/55/928748455.db2.gz ZENVKFXTIZZFTR-QMMMGPOBSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440895225 928748463 /nfs/dbraw/zinc/74/84/63/928748463.db2.gz ZENVKFXTIZZFTR-QMMMGPOBSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440903003 928748689 /nfs/dbraw/zinc/74/86/89/928748689.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440903003 928748697 /nfs/dbraw/zinc/74/86/97/928748697.db2.gz JIBZAAVLLNTSBX-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001440914886 928749675 /nfs/dbraw/zinc/74/96/75/928749675.db2.gz LIINGLMHXRYPPN-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440914886 928749682 /nfs/dbraw/zinc/74/96/82/928749682.db2.gz LIINGLMHXRYPPN-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)CC1(O)CCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001440918507 928749895 /nfs/dbraw/zinc/74/98/95/928749895.db2.gz NXLBGNYISCSVQU-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@H](CNC(=O)CC1(O)CCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440918507 928749899 /nfs/dbraw/zinc/74/98/99/928749899.db2.gz NXLBGNYISCSVQU-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@H+](C)CC(N)=O ZINC001440954148 928750626 /nfs/dbraw/zinc/75/06/26/928750626.db2.gz GERNLYKSHHRJNJ-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@H](CNC(=O)Cn1nc2ccccn2c1=O)[N@@H+](C)CC(N)=O ZINC001440954148 928750638 /nfs/dbraw/zinc/75/06/38/928750638.db2.gz GERNLYKSHHRJNJ-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001440974244 928750826 /nfs/dbraw/zinc/75/08/26/928750826.db2.gz JGVQLHUWZYFIMP-GHMZBOCLSA-N 1 1 322.369 -1.292 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001440977537 928751355 /nfs/dbraw/zinc/75/13/55/928751355.db2.gz MTSKYDNKJBPIKX-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001440974248 928751729 /nfs/dbraw/zinc/75/17/29/928751729.db2.gz JGVQLHUWZYFIMP-QWRGUYRKSA-N 1 1 322.369 -1.292 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CCCO ZINC001440978787 928753085 /nfs/dbraw/zinc/75/30/85/928753085.db2.gz UWZKNOGGFUPAIX-LLVKDONJSA-N 1 1 322.369 -1.290 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001440994293 928754988 /nfs/dbraw/zinc/75/49/88/928754988.db2.gz UDZAVUNGZWGHKX-JTQLQIEISA-N 1 1 311.342 -1.022 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001440994293 928754994 /nfs/dbraw/zinc/75/49/94/928754994.db2.gz UDZAVUNGZWGHKX-JTQLQIEISA-N 1 1 311.342 -1.022 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001441040366 928757942 /nfs/dbraw/zinc/75/79/42/928757942.db2.gz JECNJDPYSMLPHM-JHJVBQTASA-N 1 1 324.425 -1.232 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001441048081 928758204 /nfs/dbraw/zinc/75/82/04/928758204.db2.gz INJLTSDYAIHYAF-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001441060370 928762353 /nfs/dbraw/zinc/76/23/53/928762353.db2.gz ARDCAASPTQMBIF-GHMZBOCLSA-N 1 1 314.386 -1.618 20 0 DAADMO CC[C@H](C[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1)OC ZINC001441063269 928762373 /nfs/dbraw/zinc/76/23/73/928762373.db2.gz IWOWHISDADWBAQ-GHMZBOCLSA-N 1 1 314.386 -1.354 20 0 DAADMO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1)OC ZINC001441063274 928763338 /nfs/dbraw/zinc/76/33/38/928763338.db2.gz IWOWHISDADWBAQ-QWRGUYRKSA-N 1 1 314.386 -1.354 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCCO)C2)C1 ZINC001441084491 928764799 /nfs/dbraw/zinc/76/47/99/928764799.db2.gz ZSUZMXNRRXHBFA-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCCO)C2)C1 ZINC001441084491 928764802 /nfs/dbraw/zinc/76/48/02/928764802.db2.gz ZSUZMXNRRXHBFA-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(Cn1cncn1)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001441070060 928764957 /nfs/dbraw/zinc/76/49/57/928764957.db2.gz JOAAZPWKSFKKLZ-GFCCVEGCSA-N 1 1 309.370 -1.132 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001441084051 928765577 /nfs/dbraw/zinc/76/55/77/928765577.db2.gz XOBUFKKYSOFSOB-JTQLQIEISA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1nnc(CN2CC(CCO)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001441071620 928765936 /nfs/dbraw/zinc/76/59/36/928765936.db2.gz NUIKLLYMYWUCKU-LLVKDONJSA-N 1 1 323.401 -1.785 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001441074685 928766367 /nfs/dbraw/zinc/76/63/67/928766367.db2.gz IKYQJVLXYRIPRY-UHFFFAOYSA-N 1 1 312.370 -1.110 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCCC[N@H+]1CCO ZINC001441124562 928769067 /nfs/dbraw/zinc/76/90/67/928769067.db2.gz HMGDOJJAOWKBBD-LLVKDONJSA-N 1 1 322.431 -1.607 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001441149883 928769917 /nfs/dbraw/zinc/76/99/17/928769917.db2.gz IDQHUVVJXIQHPY-IUCAKERBSA-N 1 1 311.386 -1.242 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001441159289 928770517 /nfs/dbraw/zinc/77/05/17/928770517.db2.gz VNKFIVBMSWKVOF-KCJUWKMLSA-N 1 1 309.374 -1.281 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001441159286 928770918 /nfs/dbraw/zinc/77/09/18/928770918.db2.gz VNKFIVBMSWKVOF-GZMMTYOYSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2cccn2)C1 ZINC001441139871 928771246 /nfs/dbraw/zinc/77/12/46/928771246.db2.gz PXQIDDWGOMPWPR-VHSXEESVSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001441163014 928771517 /nfs/dbraw/zinc/77/15/17/928771517.db2.gz CKKWQOJIQZTINR-UWVGGRQHSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001441197223 928772920 /nfs/dbraw/zinc/77/29/20/928772920.db2.gz LSPTUKZWKRKZOX-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001441202472 928773136 /nfs/dbraw/zinc/77/31/36/928773136.db2.gz XQLJQZDIMTVWLP-ONGXEEELSA-N 1 1 307.358 -1.612 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](NCc2nnnn2C)C2CC2)n[nH]1 ZINC001441199921 928773281 /nfs/dbraw/zinc/77/32/81/928773281.db2.gz UNFGKQFCXXSPDI-JTQLQIEISA-N 1 1 319.373 -1.136 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)[nH]1 ZINC001441199921 928773287 /nfs/dbraw/zinc/77/32/87/928773287.db2.gz UNFGKQFCXXSPDI-JTQLQIEISA-N 1 1 319.373 -1.136 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001441196071 928773544 /nfs/dbraw/zinc/77/35/44/928773544.db2.gz GZQNEBYIHMYWEG-DTWKUNHWSA-N 1 1 320.415 -1.812 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001441260150 928775243 /nfs/dbraw/zinc/77/52/43/928775243.db2.gz WJMHXARYTXKENP-SECBINFHSA-N 1 1 308.404 -2.141 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001441263295 928775717 /nfs/dbraw/zinc/77/57/17/928775717.db2.gz FLPDJBTWYUPXHX-RTCCRHLQSA-N 1 1 306.370 -1.141 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001441258958 928776208 /nfs/dbraw/zinc/77/62/08/928776208.db2.gz LVZHOWYDJAIXAH-YFKTTZPYSA-N 1 1 319.369 -1.802 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001441280176 928777038 /nfs/dbraw/zinc/77/70/38/928777038.db2.gz BRJAOZCSFWSSLI-SYQHCUMBSA-N 1 1 324.425 -1.253 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001441283921 928777428 /nfs/dbraw/zinc/77/74/28/928777428.db2.gz BWPYLNMNXBOKNB-KKOKHZNYSA-N 1 1 321.385 -1.508 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001441298804 928780124 /nfs/dbraw/zinc/78/01/24/928780124.db2.gz PXUQSHSFAUVLAM-XYYAHUGASA-N 1 1 310.398 -1.905 20 0 DAADMO C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC(=O)NC1 ZINC001441310286 928780524 /nfs/dbraw/zinc/78/05/24/928780524.db2.gz UVKJDRSEVPCVKF-ZVXAKGHKSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001441301477 928780622 /nfs/dbraw/zinc/78/06/22/928780622.db2.gz OQVPRDXMDQIQQH-VHSXEESVSA-N 1 1 309.374 -1.132 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441327595 928783042 /nfs/dbraw/zinc/78/30/42/928783042.db2.gz XHYTWQHVFPZFCL-MMWGEVLESA-N 1 1 309.370 -1.773 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001441389989 928786649 /nfs/dbraw/zinc/78/66/49/928786649.db2.gz VAYUGAXOACVVHB-KYZUINATSA-N 1 1 305.346 -1.302 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001441387684 928787452 /nfs/dbraw/zinc/78/74/52/928787452.db2.gz PZWGEQCAFOVVQF-VXGBXAGGSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001441381056 928787693 /nfs/dbraw/zinc/78/76/93/928787693.db2.gz FVHMDBBLWLYFSS-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001441477547 928791681 /nfs/dbraw/zinc/79/16/81/928791681.db2.gz UWQBSUAJTIFMKS-AOOOYVTPSA-N 1 1 305.346 -1.371 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001441481263 928792443 /nfs/dbraw/zinc/79/24/43/928792443.db2.gz AQNMLTNQJPGVGM-XHNCKOQMSA-N 1 1 310.362 -1.563 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)[NH2+][C@@H](C)c1nncn1C ZINC001441531517 928794228 /nfs/dbraw/zinc/79/42/28/928794228.db2.gz RAMUHPXRFLAOQO-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)[NH2+][C@H](C)c1nncn1C ZINC001441531508 928794944 /nfs/dbraw/zinc/79/49/44/928794944.db2.gz RAMUHPXRFLAOQO-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001441530909 928795708 /nfs/dbraw/zinc/79/57/08/928795708.db2.gz CYYGOWHVNSIDSW-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCOC)C1 ZINC001441575995 928798244 /nfs/dbraw/zinc/79/82/44/928798244.db2.gz BESAYNPQPLMEMQ-LLVKDONJSA-N 1 1 322.431 -1.485 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001441610974 928799880 /nfs/dbraw/zinc/79/98/80/928799880.db2.gz QPPRAXIBJOOJLS-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001441610974 928799887 /nfs/dbraw/zinc/79/98/87/928799887.db2.gz QPPRAXIBJOOJLS-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001441578913 928801163 /nfs/dbraw/zinc/80/11/63/928801163.db2.gz ZKCDXUYPQDFVKY-WDEREUQCSA-N 1 1 311.386 -1.239 20 0 DAADMO CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001441650413 928803799 /nfs/dbraw/zinc/80/37/99/928803799.db2.gz FLRCAQZXQPIIKL-LLVKDONJSA-N 1 1 314.386 -1.798 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001441672154 928808988 /nfs/dbraw/zinc/80/89/88/928808988.db2.gz UBRHAHOISRBYJF-MFKMUULPSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001441671229 928809469 /nfs/dbraw/zinc/80/94/69/928809469.db2.gz SDORGKYIEXVAPV-PWSUYJOCSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001441672153 928809831 /nfs/dbraw/zinc/80/98/31/928809831.db2.gz UBRHAHOISRBYJF-GXFFZTMASA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441669327 928810295 /nfs/dbraw/zinc/81/02/95/928810295.db2.gz PGFGYLVLZMTJNX-MFKMUULPSA-N 1 1 311.386 -1.180 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001441675473 928811453 /nfs/dbraw/zinc/81/14/53/928811453.db2.gz IATRYIJZGGMQCF-QWRGUYRKSA-N 1 1 322.431 -1.751 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001441675467 928811639 /nfs/dbraw/zinc/81/16/39/928811639.db2.gz IATRYIJZGGMQCF-GHMZBOCLSA-N 1 1 322.431 -1.751 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)cn1 ZINC001441673823 928812674 /nfs/dbraw/zinc/81/26/74/928812674.db2.gz NNOQXIKQPLOHDQ-NSHDSACASA-N 1 1 316.383 -1.604 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001441686739 928813766 /nfs/dbraw/zinc/81/37/66/928813766.db2.gz UARXGYPWTQNTRS-LADJIXMOSA-N 1 1 312.370 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001441686739 928813775 /nfs/dbraw/zinc/81/37/75/928813775.db2.gz UARXGYPWTQNTRS-LADJIXMOSA-N 1 1 312.370 -1.088 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441682656 928813907 /nfs/dbraw/zinc/81/39/07/928813907.db2.gz RLHYDMBZGSZNKI-WDEREUQCSA-N 1 1 307.354 -1.370 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnsn2)C1 ZINC001441691770 928816754 /nfs/dbraw/zinc/81/67/54/928816754.db2.gz CPSRVXZNYLVUIE-GHMZBOCLSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnsn2)C1 ZINC001441691770 928816760 /nfs/dbraw/zinc/81/67/60/928816760.db2.gz CPSRVXZNYLVUIE-GHMZBOCLSA-N 1 1 315.399 -1.565 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)nn1 ZINC001441694432 928817640 /nfs/dbraw/zinc/81/76/40/928817640.db2.gz HYPLSOYRROVISL-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)nn1 ZINC001441694435 928817804 /nfs/dbraw/zinc/81/78/04/928817804.db2.gz HYPLSOYRROVISL-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001441698257 928819895 /nfs/dbraw/zinc/81/98/95/928819895.db2.gz NNRRYJYPXURFOV-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001441698266 928821841 /nfs/dbraw/zinc/82/18/41/928821841.db2.gz NNRRYJYPXURFOV-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001441704045 928825640 /nfs/dbraw/zinc/82/56/40/928825640.db2.gz BMKPBGNXKIDBLI-MNOVXSKESA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C2CC2)n[nH]1 ZINC001441704682 928827119 /nfs/dbraw/zinc/82/71/19/928827119.db2.gz OTWSCLUWBMWRTR-JTQLQIEISA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC2CC2)n[nH]1 ZINC001441706664 928828017 /nfs/dbraw/zinc/82/80/17/928828017.db2.gz ULVADYXOOUZKGJ-GZMMTYOYSA-N 1 1 324.385 -1.611 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)C2CS(=O)(=O)C2)o1 ZINC001441708160 928828227 /nfs/dbraw/zinc/82/82/27/928828227.db2.gz RAPXNNANNFOFMD-JTQLQIEISA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)[nH]1 ZINC001441706658 928828828 /nfs/dbraw/zinc/82/88/28/928828828.db2.gz UIIWGCVHQSZYCQ-VIFPVBQESA-N 1 1 308.346 -1.949 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001441709922 928831151 /nfs/dbraw/zinc/83/11/51/928831151.db2.gz LSSSRORFVMJLPJ-NWDGAFQWSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1cnc(C)cn1 ZINC001441709445 928831757 /nfs/dbraw/zinc/83/17/57/928831757.db2.gz SKVUFKZRDNOWTJ-GHMZBOCLSA-N 1 1 324.385 -1.158 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001441709938 928832057 /nfs/dbraw/zinc/83/20/57/928832057.db2.gz LSSSRORFVMJLPJ-VXGBXAGGSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001441709849 928832198 /nfs/dbraw/zinc/83/21/98/928832198.db2.gz LPQPWNWKUMAUOK-GHMZBOCLSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001441714530 928835089 /nfs/dbraw/zinc/83/50/89/928835089.db2.gz YWAQTJNTWMVBCX-CMPLNLGQSA-N 1 1 309.370 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H]1C ZINC001441716698 928835813 /nfs/dbraw/zinc/83/58/13/928835813.db2.gz VHOVPGFGTAJONK-YFVNTRNASA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H]1C ZINC001441716698 928835826 /nfs/dbraw/zinc/83/58/26/928835826.db2.gz VHOVPGFGTAJONK-YFVNTRNASA-N 1 1 324.381 -1.087 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)NC1=O ZINC001441727575 928843624 /nfs/dbraw/zinc/84/36/24/928843624.db2.gz DRWWTAJWQHYGNC-NEPJUHHUSA-N 1 1 307.354 -1.328 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)NC1=O ZINC001441729312 928844626 /nfs/dbraw/zinc/84/46/26/928844626.db2.gz IPLKVNKTZGYEGK-VXNVDRBHSA-N 1 1 314.371 -1.872 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)cn1 ZINC001441739465 928845604 /nfs/dbraw/zinc/84/56/04/928845604.db2.gz VXXNXJBUCRAXDA-OLZOCXBDSA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441743554 928848489 /nfs/dbraw/zinc/84/84/89/928848489.db2.gz SLYCCURNUIJMHE-RWMBFGLXSA-N 1 1 314.430 -1.081 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441743554 928848495 /nfs/dbraw/zinc/84/84/95/928848495.db2.gz SLYCCURNUIJMHE-RWMBFGLXSA-N 1 1 314.430 -1.081 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001441741677 928849766 /nfs/dbraw/zinc/84/97/66/928849766.db2.gz NLEFWNFOFMTEGD-NSHDSACASA-N 1 1 320.353 -1.133 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001441741733 928849831 /nfs/dbraw/zinc/84/98/31/928849831.db2.gz TZDDLFJMNFHNRP-ZYHUDNBSSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001441752752 928851131 /nfs/dbraw/zinc/85/11/31/928851131.db2.gz MVSGOPYPGLVINC-PWSUYJOCSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001441754621 928851449 /nfs/dbraw/zinc/85/14/49/928851449.db2.gz GLIKIIJWVYRICQ-HZMBPMFUSA-N 1 1 324.385 -1.467 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001441752748 928851698 /nfs/dbraw/zinc/85/16/98/928851698.db2.gz MVSGOPYPGLVINC-JQWIXIFHSA-N 1 1 312.374 -1.704 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001441748918 928852547 /nfs/dbraw/zinc/85/25/47/928852547.db2.gz RZSYAEZCFPOIAC-YPMHNXCESA-N 1 1 314.430 -1.128 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001441755790 928853057 /nfs/dbraw/zinc/85/30/57/928853057.db2.gz SGYYSDMFFOUYMZ-NWDGAFQWSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001441762878 928853894 /nfs/dbraw/zinc/85/38/94/928853894.db2.gz AIQNPLAJOCVWGA-NEPJUHHUSA-N 1 1 323.397 -1.002 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001441761800 928854016 /nfs/dbraw/zinc/85/40/16/928854016.db2.gz AODKFRYAZBGLTN-JTQLQIEISA-N 1 1 322.373 -1.466 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001441759017 928855770 /nfs/dbraw/zinc/85/57/70/928855770.db2.gz LUXFRTPLYRDDHM-BDAKNGLRSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001441759017 928855778 /nfs/dbraw/zinc/85/57/78/928855778.db2.gz LUXFRTPLYRDDHM-BDAKNGLRSA-N 1 1 306.330 -1.736 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001441763561 928856283 /nfs/dbraw/zinc/85/62/83/928856283.db2.gz OJUZYDQJSVLBTD-MWLCHTKSSA-N 1 1 317.390 -2.166 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2C)n1 ZINC001441763041 928858252 /nfs/dbraw/zinc/85/82/52/928858252.db2.gz ARLADFQVOIJKKI-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001441777682 928861600 /nfs/dbraw/zinc/86/16/00/928861600.db2.gz OSTSNQINTNNHDL-VHSXEESVSA-N 1 1 321.399 -2.247 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H](CO)NCC(=O)N1CCCC1 ZINC001441789313 928867493 /nfs/dbraw/zinc/86/74/93/928867493.db2.gz HYXUNAUDYSQTIC-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001441789633 928867634 /nfs/dbraw/zinc/86/76/34/928867634.db2.gz OQJWOZLLNNUFNV-LBPRGKRZSA-N 1 1 310.398 -1.619 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001441802420 928868324 /nfs/dbraw/zinc/86/83/24/928868324.db2.gz DGUOMDSQPQTKKP-NWDGAFQWSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001441802420 928868334 /nfs/dbraw/zinc/86/83/34/928868334.db2.gz DGUOMDSQPQTKKP-NWDGAFQWSA-N 1 1 313.358 -1.643 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441800061 928869149 /nfs/dbraw/zinc/86/91/49/928869149.db2.gz ROCGOEUJSGNOFQ-VHSXEESVSA-N 1 1 315.374 -2.540 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441800061 928869154 /nfs/dbraw/zinc/86/91/54/928869154.db2.gz ROCGOEUJSGNOFQ-VHSXEESVSA-N 1 1 315.374 -2.540 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001441802433 928869876 /nfs/dbraw/zinc/86/98/76/928869876.db2.gz DGUOMDSQPQTKKP-VXGBXAGGSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001441802433 928869884 /nfs/dbraw/zinc/86/98/84/928869884.db2.gz DGUOMDSQPQTKKP-VXGBXAGGSA-N 1 1 313.358 -1.643 20 0 DAADMO NC(=O)NC(=O)CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441799439 928870076 /nfs/dbraw/zinc/87/00/76/928870076.db2.gz YKJVSXXAIJWYLQ-VIFPVBQESA-N 1 1 313.358 -2.656 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001441853168 928875464 /nfs/dbraw/zinc/87/54/64/928875464.db2.gz VPUZCENWVMHVPT-SECBINFHSA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001441842091 928876095 /nfs/dbraw/zinc/87/60/95/928876095.db2.gz LNLBAHGTNQSWNB-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001441878421 928876737 /nfs/dbraw/zinc/87/67/37/928876737.db2.gz QEKRMRKQQDPBNV-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1CS(=O)(=O)C1)c1nnnn1C ZINC001441857675 928877055 /nfs/dbraw/zinc/87/70/55/928877055.db2.gz YVYCJVPCTLVEFH-JGVFFNPUSA-N 1 1 316.387 -1.590 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CCO ZINC001441877189 928877585 /nfs/dbraw/zinc/87/75/85/928877585.db2.gz DAKSPAFYISZQIR-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001441863881 928878226 /nfs/dbraw/zinc/87/82/26/928878226.db2.gz YCEGBVPWSHHJCE-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001441867896 928878374 /nfs/dbraw/zinc/87/83/74/928878374.db2.gz MUTRVIIBWNHODU-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001441871929 928878503 /nfs/dbraw/zinc/87/85/03/928878503.db2.gz OSKKKRYGNCIJPF-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCNC(N)=O ZINC001441855354 928878698 /nfs/dbraw/zinc/87/86/98/928878698.db2.gz FDXWNPFSUSLAOZ-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001441911331 928879895 /nfs/dbraw/zinc/87/98/95/928879895.db2.gz WXPIAHOMLIJTPX-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001441915477 928880006 /nfs/dbraw/zinc/88/00/06/928880006.db2.gz HLKDHXTZZYMCFU-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001441886122 928880816 /nfs/dbraw/zinc/88/08/16/928880816.db2.gz USMBKDCDYDEJKK-GYSYKLTISA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001441909411 928881371 /nfs/dbraw/zinc/88/13/71/928881371.db2.gz BFKRQCLMWHJTSV-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001441944536 928882162 /nfs/dbraw/zinc/88/21/62/928882162.db2.gz VGIZFBATLZUFLD-TVQRCGJNSA-N 1 1 309.374 -1.279 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001441944762 928884474 /nfs/dbraw/zinc/88/44/74/928884474.db2.gz CWKOJAAMVAEINA-LBPRGKRZSA-N 1 1 309.370 -1.170 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001441957561 928885134 /nfs/dbraw/zinc/88/51/34/928885134.db2.gz XZFXIEMHIZZRNH-ONGXEEELSA-N 1 1 312.374 -1.579 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)nnn1C ZINC001441956818 928886033 /nfs/dbraw/zinc/88/60/33/928886033.db2.gz FMMXODAFZGYTQP-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441948179 928886455 /nfs/dbraw/zinc/88/64/55/928886455.db2.gz ANAOTNDAHITRMC-APPZFPTMSA-N 1 1 308.346 -1.716 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnccn1 ZINC001441946422 928886873 /nfs/dbraw/zinc/88/68/73/928886873.db2.gz FDRAHQDPLJYCBN-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CN1CCCC1=O ZINC001441956545 928887299 /nfs/dbraw/zinc/88/72/99/928887299.db2.gz QCJIHCRPKHWXEL-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCS(C)(=O)=O ZINC001441956535 928887347 /nfs/dbraw/zinc/88/73/47/928887347.db2.gz IWDKAFFZDQKVBZ-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCS(C)(=O)=O ZINC001441956535 928887351 /nfs/dbraw/zinc/88/73/51/928887351.db2.gz IWDKAFFZDQKVBZ-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCS(C)(=O)=O ZINC001441956532 928887408 /nfs/dbraw/zinc/88/74/08/928887408.db2.gz IWDKAFFZDQKVBZ-SECBINFHSA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCS(C)(=O)=O ZINC001441956532 928887420 /nfs/dbraw/zinc/88/74/20/928887420.db2.gz IWDKAFFZDQKVBZ-SECBINFHSA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001441958619 928888492 /nfs/dbraw/zinc/88/84/92/928888492.db2.gz NCPYQCQGGBXGHC-CBAPKCEASA-N 1 1 307.358 -1.042 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1=COCCO1 ZINC001441961444 928888578 /nfs/dbraw/zinc/88/85/78/928888578.db2.gz ZCPOOTDTSKCSFG-SECBINFHSA-N 1 1 312.330 -1.993 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001441960532 928889237 /nfs/dbraw/zinc/88/92/37/928889237.db2.gz XQWVTFQKSGMMJU-MWLCHTKSSA-N 1 1 313.358 -1.188 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)n2)nnn1C ZINC001441963372 928889893 /nfs/dbraw/zinc/88/98/93/928889893.db2.gz WSBMLHBJQBIYDT-LLVKDONJSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001441962442 928889931 /nfs/dbraw/zinc/88/99/31/928889931.db2.gz VDOYRKMJTGPVBE-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001441967918 928891331 /nfs/dbraw/zinc/89/13/31/928891331.db2.gz VCGJULCDBBKWGT-SCZZXKLOSA-N 1 1 323.357 -1.510 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001441967501 928891827 /nfs/dbraw/zinc/89/18/27/928891827.db2.gz NFQQKOLIKDXAQG-NXEZZACHSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001441966075 928892402 /nfs/dbraw/zinc/89/24/02/928892402.db2.gz LADUFFZBUCTWNK-GHMZBOCLSA-N 1 1 307.354 -1.336 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001441967920 928892854 /nfs/dbraw/zinc/89/28/54/928892854.db2.gz VCGJULCDBBKWGT-WPRPVWTQSA-N 1 1 323.357 -1.510 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnn(C)c1 ZINC001441972831 928895051 /nfs/dbraw/zinc/89/50/51/928895051.db2.gz UTSLJFKBNCCPPG-NSHDSACASA-N 1 1 322.373 -1.905 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001441976798 928895798 /nfs/dbraw/zinc/89/57/98/928895798.db2.gz SNESJBMYCGSUBD-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001441979851 928897049 /nfs/dbraw/zinc/89/70/49/928897049.db2.gz ZEVITTDXYZGNAV-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001441984948 928898603 /nfs/dbraw/zinc/89/86/03/928898603.db2.gz DPZWMJQFQSPNDI-BDAKNGLRSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn[nH]c(=O)c1 ZINC001441990445 928899661 /nfs/dbraw/zinc/89/96/61/928899661.db2.gz VZQVDKCFXJTUDR-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn[nH]c(=O)c1 ZINC001441986482 928899846 /nfs/dbraw/zinc/89/98/46/928899846.db2.gz SHLHUOVCGGFNFQ-LLVKDONJSA-N 1 1 321.341 -1.467 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001441987063 928900146 /nfs/dbraw/zinc/90/01/46/928900146.db2.gz FSYDEOVUSXYZAP-ZDUSSCGKSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@]12C[C@H]1COC2 ZINC001441990009 928900244 /nfs/dbraw/zinc/90/02/44/928900244.db2.gz RMAOIFQTJPRWAC-MJVIPROJSA-N 1 1 309.370 -1.240 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@]12C[C@H]1COC2 ZINC001441990012 928900980 /nfs/dbraw/zinc/90/09/80/928900980.db2.gz RMAOIFQTJPRWAC-WDMOLILDSA-N 1 1 309.370 -1.240 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1c[nH]c(=O)cn1 ZINC001441986111 928901228 /nfs/dbraw/zinc/90/12/28/928901228.db2.gz GVIAMYUUDKAQQN-SNVBAGLBSA-N 1 1 321.341 -1.879 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)nc1 ZINC001441996923 928902650 /nfs/dbraw/zinc/90/26/50/928902650.db2.gz OHGMKPXRZSPPQM-MNOVXSKESA-N 1 1 323.353 -1.198 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001441999518 928902943 /nfs/dbraw/zinc/90/29/43/928902943.db2.gz YMRVOGMTPGHUPK-SECBINFHSA-N 1 1 313.362 -2.049 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001441996584 928903177 /nfs/dbraw/zinc/90/31/77/928903177.db2.gz NCEUHAAOBBSYSO-NSHDSACASA-N 1 1 324.385 -1.295 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)nc1 ZINC001441998273 928903447 /nfs/dbraw/zinc/90/34/47/928903447.db2.gz OHGMKPXRZSPPQM-QWRGUYRKSA-N 1 1 323.353 -1.198 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)no1 ZINC001442001564 928904933 /nfs/dbraw/zinc/90/49/33/928904933.db2.gz JSMZRRJCSYWQSO-SNVBAGLBSA-N 1 1 309.330 -1.271 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001442019237 928907247 /nfs/dbraw/zinc/90/72/47/928907247.db2.gz UWKUJGYRUBEZOA-WDEREUQCSA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001442017119 928908541 /nfs/dbraw/zinc/90/85/41/928908541.db2.gz FPZJSQAXNDZJOL-SFYZADRCSA-N 1 1 309.334 -1.888 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001442024954 928909016 /nfs/dbraw/zinc/90/90/16/928909016.db2.gz PIWWQYLOTOVJGQ-GFCCVEGCSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442026799 928910106 /nfs/dbraw/zinc/91/01/06/928910106.db2.gz CRJNVIVJKCHJLN-ZJUUUORDSA-N 1 1 312.374 -1.629 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442026795 928910274 /nfs/dbraw/zinc/91/02/74/928910274.db2.gz CRJNVIVJKCHJLN-UWVGGRQHSA-N 1 1 312.374 -1.629 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn(C)n1 ZINC001442026990 928911720 /nfs/dbraw/zinc/91/17/20/928911720.db2.gz BQXQMFMANIKGEC-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001442039183 928913133 /nfs/dbraw/zinc/91/31/33/928913133.db2.gz GVLVWVKROSHUFM-JQWIXIFHSA-N 1 1 301.387 -1.356 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)cnn1C ZINC001442043826 928913840 /nfs/dbraw/zinc/91/38/40/928913840.db2.gz NKLRNOODTYOXKB-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)cnn1C ZINC001442043815 928914551 /nfs/dbraw/zinc/91/45/51/928914551.db2.gz NKLRNOODTYOXKB-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001442051110 928916030 /nfs/dbraw/zinc/91/60/30/928916030.db2.gz MZGWJNCQFCWMKV-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001442048141 928918179 /nfs/dbraw/zinc/91/81/79/928918179.db2.gz HXPZQOJOTRFDQF-BQBZGAKWSA-N 1 1 310.301 -1.414 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001442067715 928918763 /nfs/dbraw/zinc/91/87/63/928918763.db2.gz FPOFPPHWAXHIKH-GHMZBOCLSA-N 1 1 324.385 -1.590 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001442063485 928919542 /nfs/dbraw/zinc/91/95/42/928919542.db2.gz BNXRMQGXMXXOQP-NWDGAFQWSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1cc[nH]n1 ZINC001442059036 928919916 /nfs/dbraw/zinc/91/99/16/928919916.db2.gz VRAJYSZDWCGLGA-CYBMUJFWSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001442059036 928919928 /nfs/dbraw/zinc/91/99/28/928919928.db2.gz VRAJYSZDWCGLGA-CYBMUJFWSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001442059036 928919937 /nfs/dbraw/zinc/91/99/37/928919937.db2.gz VRAJYSZDWCGLGA-CYBMUJFWSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001442063492 928921314 /nfs/dbraw/zinc/92/13/14/928921314.db2.gz BNXRMQGXMXXOQP-VXGBXAGGSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001442081447 928921995 /nfs/dbraw/zinc/92/19/95/928921995.db2.gz MWTOFOYNMVAYPM-NXEZZACHSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001442081447 928922001 /nfs/dbraw/zinc/92/20/01/928922001.db2.gz MWTOFOYNMVAYPM-NXEZZACHSA-N 1 1 324.385 -1.539 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442081491 928923808 /nfs/dbraw/zinc/92/38/08/928923808.db2.gz GWBPKPNSTMRWSX-BDAKNGLRSA-N 1 1 313.362 -2.161 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2cccnc12 ZINC001442080446 928924803 /nfs/dbraw/zinc/92/48/03/928924803.db2.gz GBKLJBLFZSRUBE-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2cccnc12 ZINC001442080446 928924814 /nfs/dbraw/zinc/92/48/14/928924814.db2.gz GBKLJBLFZSRUBE-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCc2nncn2C1 ZINC001442086829 928925290 /nfs/dbraw/zinc/92/52/90/928925290.db2.gz BHMQILHCDOXBOL-NEPJUHHUSA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n1C ZINC001442083842 928925415 /nfs/dbraw/zinc/92/54/15/928925415.db2.gz ULPMBVWIPIHLSF-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001442095401 928925905 /nfs/dbraw/zinc/92/59/05/928925905.db2.gz OSGYZBOIFAUXQW-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001442095401 928925914 /nfs/dbraw/zinc/92/59/14/928925914.db2.gz OSGYZBOIFAUXQW-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001442096480 928926822 /nfs/dbraw/zinc/92/68/22/928926822.db2.gz OZTQVEVXLRHUKA-NSHDSACASA-N 1 1 310.416 -1.447 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001442096480 928926830 /nfs/dbraw/zinc/92/68/30/928926830.db2.gz OZTQVEVXLRHUKA-NSHDSACASA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cncn1 ZINC001442087022 928926888 /nfs/dbraw/zinc/92/68/88/928926888.db2.gz BUXOQWPFDNNUGS-GFCCVEGCSA-N 1 1 322.373 -1.679 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088996 928927742 /nfs/dbraw/zinc/92/77/42/928927742.db2.gz UPOAMZPQXIQHAB-IUCAKERBSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088996 928927752 /nfs/dbraw/zinc/92/77/52/928927752.db2.gz UPOAMZPQXIQHAB-IUCAKERBSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)COc1cccnc1 ZINC001442096603 928928429 /nfs/dbraw/zinc/92/84/29/928928429.db2.gz PJAAFBZWAJEZRK-GFCCVEGCSA-N 1 1 324.381 -1.043 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)COc1cccnc1 ZINC001442096603 928928434 /nfs/dbraw/zinc/92/84/34/928928434.db2.gz PJAAFBZWAJEZRK-GFCCVEGCSA-N 1 1 324.381 -1.043 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n1C ZINC001442083840 928928578 /nfs/dbraw/zinc/92/85/78/928928578.db2.gz ULPMBVWIPIHLSF-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001442091650 928928782 /nfs/dbraw/zinc/92/87/82/928928782.db2.gz MCNYIBBXHWVCLJ-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001442088393 928928842 /nfs/dbraw/zinc/92/88/42/928928842.db2.gz DEWFJWWJLDXWEB-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001442099255 928929731 /nfs/dbraw/zinc/92/97/31/928929731.db2.gz USNQFEJKBHXULO-WDEREUQCSA-N 1 1 312.370 -1.474 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001442115458 928929781 /nfs/dbraw/zinc/92/97/81/928929781.db2.gz KPTNCKBKXLGMKT-RYUDHWBXSA-N 1 1 316.402 -1.156 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442099167 928930635 /nfs/dbraw/zinc/93/06/35/928930635.db2.gz UHINGMYRSMKOOC-OLZOCXBDSA-N 1 1 311.382 -1.020 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001442100945 928930703 /nfs/dbraw/zinc/93/07/03/928930703.db2.gz XMEOSDSMYTUFQK-WCQYABFASA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001442100945 928930712 /nfs/dbraw/zinc/93/07/12/928930712.db2.gz XMEOSDSMYTUFQK-WCQYABFASA-N 1 1 322.427 -1.303 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)c1cn(CC(N)=O)nn1 ZINC001442123573 928931007 /nfs/dbraw/zinc/93/10/07/928931007.db2.gz BVCUXELROJOYKO-UHFFFAOYSA-N 1 1 312.374 -1.462 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001442099165 928931331 /nfs/dbraw/zinc/93/13/31/928931331.db2.gz VBNCBHXLDKBQPG-LLVKDONJSA-N 1 1 312.370 -1.139 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCNC1=O ZINC001442173108 928932688 /nfs/dbraw/zinc/93/26/88/928932688.db2.gz LGHOKQCBSNVSBO-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCNC1=O ZINC001442173108 928932697 /nfs/dbraw/zinc/93/26/97/928932697.db2.gz LGHOKQCBSNVSBO-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001442195618 928934620 /nfs/dbraw/zinc/93/46/20/928934620.db2.gz UXPFPJCZSYDQMT-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001442195618 928934629 /nfs/dbraw/zinc/93/46/29/928934629.db2.gz UXPFPJCZSYDQMT-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCCNC1=O ZINC001442188712 928934663 /nfs/dbraw/zinc/93/46/63/928934663.db2.gz QOPUYXJSKODSCZ-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCCNC1=O ZINC001442188712 928934668 /nfs/dbraw/zinc/93/46/68/928934668.db2.gz QOPUYXJSKODSCZ-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442217816 928934936 /nfs/dbraw/zinc/93/49/36/928934936.db2.gz RHSMVIJCVXSHDD-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cncn1C)[C@@H]1CCNC1=O ZINC001442182240 928935434 /nfs/dbraw/zinc/93/54/34/928935434.db2.gz WOHXVBFFPMBOCZ-LLVKDONJSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cncn1C)[C@@H]1CCNC1=O ZINC001442182240 928935440 /nfs/dbraw/zinc/93/54/40/928935440.db2.gz WOHXVBFFPMBOCZ-LLVKDONJSA-N 1 1 309.370 -1.013 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001442210404 928935770 /nfs/dbraw/zinc/93/57/70/928935770.db2.gz WWHBIZUKGYBZFI-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001442210404 928935775 /nfs/dbraw/zinc/93/57/75/928935775.db2.gz WWHBIZUKGYBZFI-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442224461 928936250 /nfs/dbraw/zinc/93/62/50/928936250.db2.gz XWNQCXAHZXSLAC-QWRGUYRKSA-N 1 1 312.374 -1.246 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001442348291 928939126 /nfs/dbraw/zinc/93/91/26/928939126.db2.gz RFQQHPDQZGEYAM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001442348291 928939132 /nfs/dbraw/zinc/93/91/32/928939132.db2.gz RFQQHPDQZGEYAM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@@H](O)Cn1cccn1 ZINC001442349329 928939210 /nfs/dbraw/zinc/93/92/10/928939210.db2.gz DXLYFPYMTYVGDQ-LLVKDONJSA-N 1 1 308.346 -2.021 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)C1=COCCO1)S(C)(=O)=O ZINC001442344425 928939244 /nfs/dbraw/zinc/93/92/44/928939244.db2.gz IWBRZVMTEVVAIC-UHFFFAOYSA-N 1 1 321.399 -1.186 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1=COCCO1)S(C)(=O)=O ZINC001442344425 928939253 /nfs/dbraw/zinc/93/92/53/928939253.db2.gz IWBRZVMTEVVAIC-UHFFFAOYSA-N 1 1 321.399 -1.186 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001442344927 928939291 /nfs/dbraw/zinc/93/92/91/928939291.db2.gz KSJIWYUGWLSHGC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001442344927 928939302 /nfs/dbraw/zinc/93/93/02/928939302.db2.gz KSJIWYUGWLSHGC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC001442345868 928939429 /nfs/dbraw/zinc/93/94/29/928939429.db2.gz ULIPRWUDOJDSCV-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CCN1CCCS1(=O)=O ZINC001442345868 928939439 /nfs/dbraw/zinc/93/94/39/928939439.db2.gz ULIPRWUDOJDSCV-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)CCN1CCNC1=O ZINC001442341388 928939464 /nfs/dbraw/zinc/93/94/64/928939464.db2.gz DRVPQKMUVBRBII-UHFFFAOYSA-N 1 1 308.342 -1.131 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001442348287 928940292 /nfs/dbraw/zinc/94/02/92/928940292.db2.gz RFQQHPDQZGEYAM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001442348287 928940303 /nfs/dbraw/zinc/94/03/03/928940303.db2.gz RFQQHPDQZGEYAM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001442406133 928943224 /nfs/dbraw/zinc/94/32/24/928943224.db2.gz AWECIFBKBZSESY-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001442406133 928943233 /nfs/dbraw/zinc/94/32/33/928943233.db2.gz AWECIFBKBZSESY-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001442371411 928943822 /nfs/dbraw/zinc/94/38/22/928943822.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001442371411 928943836 /nfs/dbraw/zinc/94/38/36/928943836.db2.gz GBTKKKFHSIWNKU-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001442371405 928944184 /nfs/dbraw/zinc/94/41/84/928944184.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001442371405 928944190 /nfs/dbraw/zinc/94/41/90/928944190.db2.gz GBTKKKFHSIWNKU-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@@H]1CCCOC1 ZINC001442415003 928945852 /nfs/dbraw/zinc/94/58/52/928945852.db2.gz SFPBKULMSQFNBS-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001442421497 928945922 /nfs/dbraw/zinc/94/59/22/928945922.db2.gz LXLVJYPNPRQJSY-UHFFFAOYSA-N 1 1 310.314 -1.701 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001442421497 928945931 /nfs/dbraw/zinc/94/59/31/928945931.db2.gz LXLVJYPNPRQJSY-UHFFFAOYSA-N 1 1 310.314 -1.701 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cc1=O ZINC001442418935 928946909 /nfs/dbraw/zinc/94/69/09/928946909.db2.gz FAHCHKURNUFZRO-UHFFFAOYSA-N 1 1 310.314 -2.363 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cc1=O ZINC001442418935 928946920 /nfs/dbraw/zinc/94/69/20/928946920.db2.gz FAHCHKURNUFZRO-UHFFFAOYSA-N 1 1 310.314 -2.363 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001442479367 928948263 /nfs/dbraw/zinc/94/82/63/928948263.db2.gz CXGYOXSGYHIOLC-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001442479367 928948270 /nfs/dbraw/zinc/94/82/70/928948270.db2.gz CXGYOXSGYHIOLC-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO C[N@H+](CCCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001442480029 928948441 /nfs/dbraw/zinc/94/84/41/928948441.db2.gz HSICCFITFVFPDL-VIFPVBQESA-N 1 1 307.372 -2.670 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001442480029 928948449 /nfs/dbraw/zinc/94/84/49/928948449.db2.gz HSICCFITFVFPDL-VIFPVBQESA-N 1 1 307.372 -2.670 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001442568257 928953497 /nfs/dbraw/zinc/95/34/97/928953497.db2.gz VGPRWWARBPMAKP-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1cncn1C ZINC001442581502 928953559 /nfs/dbraw/zinc/95/35/59/928953559.db2.gz ZUDLVWHLZMLHSU-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC001442581502 928953571 /nfs/dbraw/zinc/95/35/71/928953571.db2.gz ZUDLVWHLZMLHSU-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)c1C ZINC001442576169 928953821 /nfs/dbraw/zinc/95/38/21/928953821.db2.gz VWKGSDVWEXGATE-LLVKDONJSA-N 1 1 321.381 -1.053 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)c1C ZINC001442576169 928953827 /nfs/dbraw/zinc/95/38/27/928953827.db2.gz VWKGSDVWEXGATE-LLVKDONJSA-N 1 1 321.381 -1.053 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001442587843 928956239 /nfs/dbraw/zinc/95/62/39/928956239.db2.gz MPLKLHMGAOQLJA-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001442587843 928956247 /nfs/dbraw/zinc/95/62/47/928956247.db2.gz MPLKLHMGAOQLJA-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NCC[N@@H+](C)CCCO)nn1 ZINC001442617219 928956393 /nfs/dbraw/zinc/95/63/93/928956393.db2.gz IEDZUUGBOXDYRR-UHFFFAOYSA-N 1 1 312.374 -1.590 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)cn1)[C@@H]1CCNC1=O ZINC001442609303 928956469 /nfs/dbraw/zinc/95/64/69/928956469.db2.gz IOQAGHCNUCYHOH-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)cn1)[C@@H]1CCNC1=O ZINC001442609303 928956475 /nfs/dbraw/zinc/95/64/75/928956475.db2.gz IOQAGHCNUCYHOH-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO CCc1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nn1C ZINC001442622124 928956604 /nfs/dbraw/zinc/95/66/04/928956604.db2.gz UXLBBJLOJDCLPR-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO CCc1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nn1C ZINC001442622124 928956610 /nfs/dbraw/zinc/95/66/10/928956610.db2.gz UXLBBJLOJDCLPR-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001442603000 928956923 /nfs/dbraw/zinc/95/69/23/928956923.db2.gz PIODQFRLNNJIFB-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001442603000 928956931 /nfs/dbraw/zinc/95/69/31/928956931.db2.gz PIODQFRLNNJIFB-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@H]1CCNC1=O ZINC001442606263 928957636 /nfs/dbraw/zinc/95/76/36/928957636.db2.gz GSKUJBANHGVMLI-JTQLQIEISA-N 1 1 317.353 -1.397 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@H]1CCNC1=O ZINC001442606263 928957648 /nfs/dbraw/zinc/95/76/48/928957648.db2.gz GSKUJBANHGVMLI-JTQLQIEISA-N 1 1 317.353 -1.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001442635227 928958177 /nfs/dbraw/zinc/95/81/77/928958177.db2.gz XGQOTWNTVCUKBK-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnnn1C)CCN1CCNC1=O ZINC001442660878 928959485 /nfs/dbraw/zinc/95/94/85/928959485.db2.gz MYVXQZRNSYMUPF-UHFFFAOYSA-N 1 1 309.374 -1.108 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1nnn(C)n1 ZINC001442649602 928959535 /nfs/dbraw/zinc/95/95/35/928959535.db2.gz SRJNVHZXSQSQEN-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1nnn(C)n1 ZINC001442649602 928959540 /nfs/dbraw/zinc/95/95/40/928959540.db2.gz SRJNVHZXSQSQEN-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)c1C)CC(=O)NC(N)=O ZINC001442642583 928959720 /nfs/dbraw/zinc/95/97/20/928959720.db2.gz AEFFLNVLWIVIHQ-UHFFFAOYSA-N 1 1 311.346 -1.630 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)c1C)CC(=O)NC(N)=O ZINC001442642583 928959728 /nfs/dbraw/zinc/95/97/28/928959728.db2.gz AEFFLNVLWIVIHQ-UHFFFAOYSA-N 1 1 311.346 -1.630 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccnc(OC)n1)CC(=O)NC(N)=O ZINC001442682498 928960164 /nfs/dbraw/zinc/96/01/64/928960164.db2.gz BGWVURBQFABGEP-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccnc(OC)n1)CC(=O)NC(N)=O ZINC001442682498 928960176 /nfs/dbraw/zinc/96/01/76/928960176.db2.gz BGWVURBQFABGEP-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@H]1CCNC1=O ZINC001442682989 928961216 /nfs/dbraw/zinc/96/12/16/928961216.db2.gz RONGRPADMDQAJV-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442714866 928963366 /nfs/dbraw/zinc/96/33/66/928963366.db2.gz JWMRPZRPXNECBU-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442714866 928963374 /nfs/dbraw/zinc/96/33/74/928963374.db2.gz JWMRPZRPXNECBU-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001442780179 928965835 /nfs/dbraw/zinc/96/58/35/928965835.db2.gz NJODLHLQGPCMRC-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001442780179 928965848 /nfs/dbraw/zinc/96/58/48/928965848.db2.gz NJODLHLQGPCMRC-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442746304 928966033 /nfs/dbraw/zinc/96/60/33/928966033.db2.gz YYLUHGUQSYXVEW-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CS(C)(=O)=O ZINC001442744055 928966470 /nfs/dbraw/zinc/96/64/70/928966470.db2.gz ACCLRMFEZMOZEF-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001442780189 928966939 /nfs/dbraw/zinc/96/69/39/928966939.db2.gz NJODLHLQGPCMRC-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001442780189 928966946 /nfs/dbraw/zinc/96/69/46/928966946.db2.gz NJODLHLQGPCMRC-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CS(C)(=O)=O ZINC001442744050 928966988 /nfs/dbraw/zinc/96/69/88/928966988.db2.gz ACCLRMFEZMOZEF-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c(=O)n1 ZINC001442823949 928967716 /nfs/dbraw/zinc/96/77/16/928967716.db2.gz SUANWYQLQOQAHA-LBPRGKRZSA-N 1 1 321.381 -1.074 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c(=O)n1 ZINC001442823949 928967726 /nfs/dbraw/zinc/96/77/26/928967726.db2.gz SUANWYQLQOQAHA-LBPRGKRZSA-N 1 1 321.381 -1.074 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001442792324 928967988 /nfs/dbraw/zinc/96/79/88/928967988.db2.gz KLUMHLHRTBZGFQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001442792348 928968244 /nfs/dbraw/zinc/96/82/44/928968244.db2.gz KLUMHLHRTBZGFQ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442803380 928968417 /nfs/dbraw/zinc/96/84/17/928968417.db2.gz VUJLTBYBOIWCEX-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442803380 928968429 /nfs/dbraw/zinc/96/84/29/928968429.db2.gz VUJLTBYBOIWCEX-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001442786969 928968495 /nfs/dbraw/zinc/96/84/95/928968495.db2.gz KXYGZMNXJYIJQL-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001442786969 928968504 /nfs/dbraw/zinc/96/85/04/928968504.db2.gz KXYGZMNXJYIJQL-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442795476 928968788 /nfs/dbraw/zinc/96/87/88/928968788.db2.gz BAAXVLXTOSLIJZ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442795476 928968793 /nfs/dbraw/zinc/96/87/93/928968793.db2.gz BAAXVLXTOSLIJZ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001442792340 928968865 /nfs/dbraw/zinc/96/88/65/928968865.db2.gz KLUMHLHRTBZGFQ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001442791316 928969247 /nfs/dbraw/zinc/96/92/47/928969247.db2.gz JASCHAWDHSLSPL-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001442791316 928969260 /nfs/dbraw/zinc/96/92/60/928969260.db2.gz JASCHAWDHSLSPL-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001442824342 928969281 /nfs/dbraw/zinc/96/92/81/928969281.db2.gz BOBADZSVRROGCW-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442803384 928969457 /nfs/dbraw/zinc/96/94/57/928969457.db2.gz VUJLTBYBOIWCEX-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442803384 928969466 /nfs/dbraw/zinc/96/94/66/928969466.db2.gz VUJLTBYBOIWCEX-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001442786972 928969587 /nfs/dbraw/zinc/96/95/87/928969587.db2.gz KXYGZMNXJYIJQL-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001442786972 928969596 /nfs/dbraw/zinc/96/95/96/928969596.db2.gz KXYGZMNXJYIJQL-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001442791323 928969941 /nfs/dbraw/zinc/96/99/41/928969941.db2.gz JASCHAWDHSLSPL-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)N1CCCC1 ZINC001442791323 928969948 /nfs/dbraw/zinc/96/99/48/928969948.db2.gz JASCHAWDHSLSPL-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001442854952 928970461 /nfs/dbraw/zinc/97/04/61/928970461.db2.gz KKTTYVUXKRFPIQ-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001442854178 928971024 /nfs/dbraw/zinc/97/10/24/928971024.db2.gz IGWPIUSDCOMLBZ-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CNC(N)=O ZINC001442853961 928971611 /nfs/dbraw/zinc/97/16/11/928971611.db2.gz RRJWZQHQKBTJRQ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001442854946 928972507 /nfs/dbraw/zinc/97/25/07/928972507.db2.gz KKTTYVUXKRFPIQ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001442852524 928972927 /nfs/dbraw/zinc/97/29/27/928972927.db2.gz HJKGINQHTYOPJS-DTWKUNHWSA-N 1 1 311.342 -2.102 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442838813 928972949 /nfs/dbraw/zinc/97/29/49/928972949.db2.gz KHLDCDWLQDZGMP-WPRPVWTQSA-N 1 1 313.358 -1.856 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001442863582 928974827 /nfs/dbraw/zinc/97/48/27/928974827.db2.gz NPJFYMOELSAKQD-LLVKDONJSA-N 1 1 300.359 -2.331 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001442902398 928976680 /nfs/dbraw/zinc/97/66/80/928976680.db2.gz IHIDWWJECFVDRY-QWRGUYRKSA-N 1 1 307.416 -1.303 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001442914432 928976969 /nfs/dbraw/zinc/97/69/69/928976969.db2.gz QEGHXSJKBRENGL-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001442904966 928977003 /nfs/dbraw/zinc/97/70/03/928977003.db2.gz LIGJMCBBGQLPLK-KOLCDFICSA-N 1 1 324.385 -1.798 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001442902143 928977077 /nfs/dbraw/zinc/97/70/77/928977077.db2.gz CCFWVVNXKWQRTA-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001442902396 928977452 /nfs/dbraw/zinc/97/74/52/928977452.db2.gz IHIDWWJECFVDRY-MNOVXSKESA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001442902402 928977938 /nfs/dbraw/zinc/97/79/38/928977938.db2.gz IHIDWWJECFVDRY-WDEREUQCSA-N 1 1 307.416 -1.303 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442947499 928980157 /nfs/dbraw/zinc/98/01/57/928980157.db2.gz VSQYVLFWJFZSRQ-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442962877 928980732 /nfs/dbraw/zinc/98/07/32/928980732.db2.gz KSGXTJYRROOBMW-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442962877 928980742 /nfs/dbraw/zinc/98/07/42/928980742.db2.gz KSGXTJYRROOBMW-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO CCC[N@@H+](CCCO)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442974703 928981873 /nfs/dbraw/zinc/98/18/73/928981873.db2.gz RBXLMAJMSFQAST-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001442991831 928982228 /nfs/dbraw/zinc/98/22/28/928982228.db2.gz DLASVFASLJTCQN-JTQLQIEISA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001442991831 928982237 /nfs/dbraw/zinc/98/22/37/928982237.db2.gz DLASVFASLJTCQN-JTQLQIEISA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001442998637 928985264 /nfs/dbraw/zinc/98/52/64/928985264.db2.gz ZITSGOSXCWSVAJ-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001442998637 928985278 /nfs/dbraw/zinc/98/52/78/928985278.db2.gz ZITSGOSXCWSVAJ-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001442998744 928985393 /nfs/dbraw/zinc/98/53/93/928985393.db2.gz ZITSGOSXCWSVAJ-WDEREUQCSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001442998744 928985401 /nfs/dbraw/zinc/98/54/01/928985401.db2.gz ZITSGOSXCWSVAJ-WDEREUQCSA-N 1 1 310.354 -1.046 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1 ZINC001443035924 928987270 /nfs/dbraw/zinc/98/72/70/928987270.db2.gz RDAFGRMSSIQMTH-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1 ZINC001443035924 928987280 /nfs/dbraw/zinc/98/72/80/928987280.db2.gz RDAFGRMSSIQMTH-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1 ZINC001443035924 928987296 /nfs/dbraw/zinc/98/72/96/928987296.db2.gz RDAFGRMSSIQMTH-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)NCC1CC1 ZINC001443037527 928987675 /nfs/dbraw/zinc/98/76/75/928987675.db2.gz WKPYQAQZHJTXFU-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)NCC1CC1 ZINC001443037527 928987683 /nfs/dbraw/zinc/98/76/83/928987683.db2.gz WKPYQAQZHJTXFU-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001443050005 928990057 /nfs/dbraw/zinc/99/00/57/928990057.db2.gz SVOWZYAABYQEFH-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]([NH2+][C@H](CNC(=O)Cn1ncnn1)c1ccccc1)C(N)=O ZINC001443148743 928991503 /nfs/dbraw/zinc/99/15/03/928991503.db2.gz XUEPMHAOCMQLTI-ZYHUDNBSSA-N 1 1 317.353 -1.006 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001443091729 928991554 /nfs/dbraw/zinc/99/15/54/928991554.db2.gz XRILHGPPXCPDLX-NSHDSACASA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H]([NH2+][C@@H](CNC(=O)Cn1ncnn1)c1ccccc1)C(N)=O ZINC001443148737 928992717 /nfs/dbraw/zinc/99/27/17/928992717.db2.gz XUEPMHAOCMQLTI-PWSUYJOCSA-N 1 1 317.353 -1.006 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cccn2)C1 ZINC001443212828 928993626 /nfs/dbraw/zinc/99/36/26/928993626.db2.gz PGGFMHASHJCKMC-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443250054 928996178 /nfs/dbraw/zinc/99/61/78/928996178.db2.gz VGBQYLJEKATMIN-VIFPVBQESA-N 1 1 321.403 -2.646 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001443257512 928996425 /nfs/dbraw/zinc/99/64/25/928996425.db2.gz QCZSBYJPGBPDAI-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001443244692 928996799 /nfs/dbraw/zinc/99/67/99/928996799.db2.gz JSCGGIKUUIOHJF-JTQLQIEISA-N 1 1 323.353 -1.738 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)C)C1 ZINC001443321186 928998840 /nfs/dbraw/zinc/99/88/40/928998840.db2.gz IRRVYILJSOGVMW-NSHDSACASA-N 1 1 313.402 -1.216 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001443312561 928999238 /nfs/dbraw/zinc/99/92/38/928999238.db2.gz RKVFZTZUQHGTBM-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001443323321 928999581 /nfs/dbraw/zinc/99/95/81/928999581.db2.gz JDZZUXZPNBZGOR-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001443329347 929000686 /nfs/dbraw/zinc/00/06/86/929000686.db2.gz POAHCKUGBGMLTG-VIFPVBQESA-N 1 1 323.357 -1.596 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443340317 929001690 /nfs/dbraw/zinc/00/16/90/929001690.db2.gz ZXSRTJBLNVIREP-RYUDHWBXSA-N 1 1 323.401 -1.070 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001443392201 929002709 /nfs/dbraw/zinc/00/27/09/929002709.db2.gz FYIXXPPPAXNTOD-GFCCVEGCSA-N 1 1 311.386 -1.272 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001443407137 929002758 /nfs/dbraw/zinc/00/27/58/929002758.db2.gz LFAROXKKLCKRJZ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001443407137 929002765 /nfs/dbraw/zinc/00/27/65/929002765.db2.gz LFAROXKKLCKRJZ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001443457750 929004826 /nfs/dbraw/zinc/00/48/26/929004826.db2.gz GQNKBSCKKBZWOE-NSHDSACASA-N 1 1 304.416 -1.570 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001443439969 929005064 /nfs/dbraw/zinc/00/50/64/929005064.db2.gz DLFDZMALQCKMNB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001443439969 929005074 /nfs/dbraw/zinc/00/50/74/929005074.db2.gz DLFDZMALQCKMNB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)CNC(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001443480641 929005990 /nfs/dbraw/zinc/00/59/90/929005990.db2.gz WHBQLZHMWUFSQF-CYBMUJFWSA-N 1 1 312.414 -1.110 20 0 DAADMO CC(C)CNC(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001443480641 929006004 /nfs/dbraw/zinc/00/60/04/929006004.db2.gz WHBQLZHMWUFSQF-CYBMUJFWSA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CC(=O)NC(=O)NC2CC2)C1 ZINC001443504502 929008174 /nfs/dbraw/zinc/00/81/74/929008174.db2.gz ZJQZMPQMQASYQO-GFCCVEGCSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C)C(=O)CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001443519852 929010919 /nfs/dbraw/zinc/01/09/19/929010919.db2.gz QNPXBTXTJAJRKU-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001443549106 929011942 /nfs/dbraw/zinc/01/19/42/929011942.db2.gz HJKGDGJRDGAPIG-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001443549106 929011952 /nfs/dbraw/zinc/01/19/52/929011952.db2.gz HJKGDGJRDGAPIG-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001443577854 929013413 /nfs/dbraw/zinc/01/34/13/929013413.db2.gz ISKWIOYNEWYWRY-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1)NC(N)=O ZINC001443578312 929016736 /nfs/dbraw/zinc/01/67/36/929016736.db2.gz JBTRIWQISIGYOU-ZJUUUORDSA-N 1 1 313.402 -1.042 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001443675007 929021988 /nfs/dbraw/zinc/02/19/88/929021988.db2.gz KQNVTYFMXJNBIC-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001443698091 929023211 /nfs/dbraw/zinc/02/32/11/929023211.db2.gz LHYXRUUCODFYHC-SRVKXCTJSA-N 1 1 324.385 -1.509 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001443712614 929023471 /nfs/dbraw/zinc/02/34/71/929023471.db2.gz IHGDOLWQLYPOLZ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001443690582 929023903 /nfs/dbraw/zinc/02/39/03/929023903.db2.gz WVPCMLVMGDJXNJ-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001443690582 929023917 /nfs/dbraw/zinc/02/39/17/929023917.db2.gz WVPCMLVMGDJXNJ-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744832 929026500 /nfs/dbraw/zinc/02/65/00/929026500.db2.gz VEAWNRRJMCXBRL-JQWIXIFHSA-N 1 1 313.402 -1.700 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744832 929026512 /nfs/dbraw/zinc/02/65/12/929026512.db2.gz VEAWNRRJMCXBRL-JQWIXIFHSA-N 1 1 313.402 -1.700 20 0 DAADMO CN(C(=O)Cc1cnn(C)c1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800695 929028873 /nfs/dbraw/zinc/02/88/73/929028873.db2.gz FLVJYBVHCQHBGW-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C(=O)Cc1cnn(C)c1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800695 929028882 /nfs/dbraw/zinc/02/88/82/929028882.db2.gz FLVJYBVHCQHBGW-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001443804416 929029014 /nfs/dbraw/zinc/02/90/14/929029014.db2.gz RLJZNPBSYXFLNB-LLVKDONJSA-N 1 1 304.416 -1.017 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807170 929029838 /nfs/dbraw/zinc/02/98/38/929029838.db2.gz JIJMFSHUBVVNII-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807170 929029849 /nfs/dbraw/zinc/02/98/49/929029849.db2.gz JIJMFSHUBVVNII-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808448 929029898 /nfs/dbraw/zinc/02/98/98/929029898.db2.gz DIMQQJFBVXHWDH-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808448 929029909 /nfs/dbraw/zinc/02/99/09/929029909.db2.gz DIMQQJFBVXHWDH-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443833661 929030308 /nfs/dbraw/zinc/03/03/08/929030308.db2.gz QYGHVNVXSCATQR-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443833661 929030321 /nfs/dbraw/zinc/03/03/21/929030321.db2.gz QYGHVNVXSCATQR-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808432 929030511 /nfs/dbraw/zinc/03/05/11/929030511.db2.gz DIMQQJFBVXHWDH-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808432 929030523 /nfs/dbraw/zinc/03/05/23/929030523.db2.gz DIMQQJFBVXHWDH-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807155 929030544 /nfs/dbraw/zinc/03/05/44/929030544.db2.gz JIJMFSHUBVVNII-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807155 929030553 /nfs/dbraw/zinc/03/05/53/929030553.db2.gz JIJMFSHUBVVNII-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cnccc2=O)C1 ZINC001443831655 929030755 /nfs/dbraw/zinc/03/07/55/929030755.db2.gz JDCIZTQXWMTLJJ-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnccc2=O)C1 ZINC001443831655 929030768 /nfs/dbraw/zinc/03/07/68/929030768.db2.gz JDCIZTQXWMTLJJ-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443828802 929031224 /nfs/dbraw/zinc/03/12/24/929031224.db2.gz AMQJXFQCTNLUDW-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807163 929031486 /nfs/dbraw/zinc/03/14/86/929031486.db2.gz JIJMFSHUBVVNII-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807163 929031496 /nfs/dbraw/zinc/03/14/96/929031496.db2.gz JIJMFSHUBVVNII-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001443820304 929031870 /nfs/dbraw/zinc/03/18/70/929031870.db2.gz VJSDFHREWSIIGU-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001443819018 929031908 /nfs/dbraw/zinc/03/19/08/929031908.db2.gz UKYBQHRZINWCCD-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001443819018 929031924 /nfs/dbraw/zinc/03/19/24/929031924.db2.gz UKYBQHRZINWCCD-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001443843360 929032222 /nfs/dbraw/zinc/03/22/22/929032222.db2.gz NCQPANYIHKWMOC-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001443843357 929032823 /nfs/dbraw/zinc/03/28/23/929032823.db2.gz NCQPANYIHKWMOC-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443874612 929033069 /nfs/dbraw/zinc/03/30/69/929033069.db2.gz YBEZYUAVSMMFRJ-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO CC[C@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001443917181 929036466 /nfs/dbraw/zinc/03/64/66/929036466.db2.gz MIZGLUYKVCRHNI-DTWKUNHWSA-N 1 1 312.378 -1.359 20 0 DAADMO CC[C@@H](CNC(=O)CCNC(=O)NC)[NH2+]Cc1nnnn1C ZINC001443927970 929036700 /nfs/dbraw/zinc/03/67/00/929036700.db2.gz DYEGWFGZRGNCPD-VIFPVBQESA-N 1 1 312.378 -1.486 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444054053 929042846 /nfs/dbraw/zinc/04/28/46/929042846.db2.gz BYBQXVBGMWGKLL-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001444092109 929051362 /nfs/dbraw/zinc/05/13/62/929051362.db2.gz ITIXTKHMHNIGAF-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444108489 929058682 /nfs/dbraw/zinc/05/86/82/929058682.db2.gz JHQWLTMAKCYFRO-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444108489 929058691 /nfs/dbraw/zinc/05/86/91/929058691.db2.gz JHQWLTMAKCYFRO-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001444117656 929061560 /nfs/dbraw/zinc/06/15/60/929061560.db2.gz JKHHFSLLEAVPBR-ZANVPECISA-N 1 1 323.357 -1.307 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nccnc1N ZINC001444131062 929067575 /nfs/dbraw/zinc/06/75/75/929067575.db2.gz UOAVYNFLSQYSFO-ZJUUUORDSA-N 1 1 322.369 -1.640 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001444179058 929076722 /nfs/dbraw/zinc/07/67/22/929076722.db2.gz WBDVULGGCCELNL-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001444178317 929076798 /nfs/dbraw/zinc/07/67/98/929076798.db2.gz LWNVLORWJCGMGO-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001444178367 929076836 /nfs/dbraw/zinc/07/68/36/929076836.db2.gz LWNVLORWJCGMGO-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]cn2)C1 ZINC001444181792 929078037 /nfs/dbraw/zinc/07/80/37/929078037.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181792 929078045 /nfs/dbraw/zinc/07/80/45/929078045.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181792 929078052 /nfs/dbraw/zinc/07/80/52/929078052.db2.gz AELOJQZEOQCFHF-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181275 929078186 /nfs/dbraw/zinc/07/81/86/929078186.db2.gz RCUXCLMECQKVKK-VHSXEESVSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181275 929078192 /nfs/dbraw/zinc/07/81/92/929078192.db2.gz RCUXCLMECQKVKK-VHSXEESVSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181271 929079402 /nfs/dbraw/zinc/07/94/02/929079402.db2.gz RCUXCLMECQKVKK-UWVGGRQHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181271 929079406 /nfs/dbraw/zinc/07/94/06/929079406.db2.gz RCUXCLMECQKVKK-UWVGGRQHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCn2ccnn2)C1 ZINC001444187357 929081088 /nfs/dbraw/zinc/08/10/88/929081088.db2.gz KGMJGGVZKJPDES-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cn1cncn1 ZINC001444219320 929086679 /nfs/dbraw/zinc/08/66/79/929086679.db2.gz HCNJBLWPBOJXNN-LLVKDONJSA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1 ZINC001444228198 929087673 /nfs/dbraw/zinc/08/76/73/929087673.db2.gz PGPYDOMZJDKFCA-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224549 929087929 /nfs/dbraw/zinc/08/79/29/929087929.db2.gz XEMDXWFLHMSPHB-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224549 929087936 /nfs/dbraw/zinc/08/79/36/929087936.db2.gz XEMDXWFLHMSPHB-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1ccnc1 ZINC001444228196 929088344 /nfs/dbraw/zinc/08/83/44/929088344.db2.gz PGPYDOMZJDKFCA-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001444222274 929088803 /nfs/dbraw/zinc/08/88/03/929088803.db2.gz HOOAPNSUGBFOJV-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001444222278 929089652 /nfs/dbraw/zinc/08/96/52/929089652.db2.gz HOOAPNSUGBFOJV-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO O=C(CC[NH+]1CCCCC1)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001444239311 929090027 /nfs/dbraw/zinc/09/00/27/929090027.db2.gz VIMJNFOEOBFNFX-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001444236003 929090426 /nfs/dbraw/zinc/09/04/26/929090426.db2.gz ZAHLBFKCJOKYBP-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1 ZINC001444235474 929090959 /nfs/dbraw/zinc/09/09/59/929090959.db2.gz VJTHFLYFXRZYIX-LBPRGKRZSA-N 1 1 311.386 -1.033 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001444239677 929091896 /nfs/dbraw/zinc/09/18/96/929091896.db2.gz WFFWKAQMLLVAEV-MWLCHTKSSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)COCC(F)F ZINC001444242018 929092063 /nfs/dbraw/zinc/09/20/63/929092063.db2.gz NWJSDNYDSKNJKG-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001444250688 929093922 /nfs/dbraw/zinc/09/39/22/929093922.db2.gz UNEVVXVHRNGNEX-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444247257 929094028 /nfs/dbraw/zinc/09/40/28/929094028.db2.gz JVLSQHXSISNTNS-SNVBAGLBSA-N 1 1 322.369 -1.964 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001444250884 929094127 /nfs/dbraw/zinc/09/41/27/929094127.db2.gz WUUPYVFQVRPODU-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001444247253 929095179 /nfs/dbraw/zinc/09/51/79/929095179.db2.gz JVLSQHXSISNTNS-JTQLQIEISA-N 1 1 322.369 -1.964 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC1 ZINC001444273558 929100417 /nfs/dbraw/zinc/10/04/17/929100417.db2.gz YBUQSTJGNLEPMV-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC1 ZINC001444273558 929100424 /nfs/dbraw/zinc/10/04/24/929100424.db2.gz YBUQSTJGNLEPMV-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1nnn(C)n1 ZINC001444288373 929103794 /nfs/dbraw/zinc/10/37/94/929103794.db2.gz AKEMJMVMBUWBBS-MRVPVSSYSA-N 1 1 307.362 -1.319 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001444285212 929104094 /nfs/dbraw/zinc/10/40/94/929104094.db2.gz YWAOMHBZJADEIC-VIFPVBQESA-N 1 1 308.298 -1.518 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001444286110 929104331 /nfs/dbraw/zinc/10/43/31/929104331.db2.gz RQOHGLDMDVNWJM-VIFPVBQESA-N 1 1 322.329 -2.378 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001444286107 929104499 /nfs/dbraw/zinc/10/44/99/929104499.db2.gz RQOHGLDMDVNWJM-SECBINFHSA-N 1 1 322.329 -2.378 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1nnn(C)n1 ZINC001444288381 929104592 /nfs/dbraw/zinc/10/45/92/929104592.db2.gz AKEMJMVMBUWBBS-QMMMGPOBSA-N 1 1 307.362 -1.319 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)[nH]1 ZINC001444313605 929110228 /nfs/dbraw/zinc/11/02/28/929110228.db2.gz RUODQNKPFWBYPB-MRVPVSSYSA-N 1 1 307.362 -1.279 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001444342934 929114322 /nfs/dbraw/zinc/11/43/22/929114322.db2.gz RLIZFJSLLGTRRB-WDEREUQCSA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cn[nH]n2)C1 ZINC001444344096 929115781 /nfs/dbraw/zinc/11/57/81/929115781.db2.gz FHGQQUYDCVMZHV-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344096 929115783 /nfs/dbraw/zinc/11/57/83/929115783.db2.gz FHGQQUYDCVMZHV-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344096 929115788 /nfs/dbraw/zinc/11/57/88/929115788.db2.gz FHGQQUYDCVMZHV-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344096 929115791 /nfs/dbraw/zinc/11/57/91/929115791.db2.gz FHGQQUYDCVMZHV-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344096 929115796 /nfs/dbraw/zinc/11/57/96/929115796.db2.gz FHGQQUYDCVMZHV-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1nnn(C)n1 ZINC001444415499 929120591 /nfs/dbraw/zinc/12/05/91/929120591.db2.gz XWEWCYLQQROGLJ-VIFPVBQESA-N 1 1 320.357 -1.541 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC001444428306 929122257 /nfs/dbraw/zinc/12/22/57/929122257.db2.gz CLURRTYHBUBKEA-ZDUSSCGKSA-N 1 1 324.385 -1.083 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444443451 929123823 /nfs/dbraw/zinc/12/38/23/929123823.db2.gz AKBAPVPBMUMXHE-LLVKDONJSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444443451 929123828 /nfs/dbraw/zinc/12/38/28/929123828.db2.gz AKBAPVPBMUMXHE-LLVKDONJSA-N 1 1 302.375 -1.495 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443243 929124016 /nfs/dbraw/zinc/12/40/16/929124016.db2.gz BVIGUGLUDDQELP-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443243 929124020 /nfs/dbraw/zinc/12/40/20/929124020.db2.gz BVIGUGLUDDQELP-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(CC(=O)NC)CCO1 ZINC001444489517 929126649 /nfs/dbraw/zinc/12/66/49/929126649.db2.gz UFCMETBHCSEBPE-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486266 929126763 /nfs/dbraw/zinc/12/67/63/929126763.db2.gz QDJUKPQEEVMHJV-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486266 929126766 /nfs/dbraw/zinc/12/67/66/929126766.db2.gz QDJUKPQEEVMHJV-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001444460869 929126786 /nfs/dbraw/zinc/12/67/86/929126786.db2.gz QOHGTCNMLGIFQN-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001444460869 929126793 /nfs/dbraw/zinc/12/67/93/929126793.db2.gz QOHGTCNMLGIFQN-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CCNC(N)=O)CC2 ZINC001444560408 929128883 /nfs/dbraw/zinc/12/88/83/929128883.db2.gz LEBVITRFYPHMIG-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001444576034 929129664 /nfs/dbraw/zinc/12/96/64/929129664.db2.gz ZNMRPRLQVBRFCC-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CS(C)(=O)=O ZINC001444598486 929131823 /nfs/dbraw/zinc/13/18/23/929131823.db2.gz ZCNAGABWWZPLPZ-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444616417 929134430 /nfs/dbraw/zinc/13/44/30/929134430.db2.gz GAAFVZGTSLNYQK-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001444628397 929136887 /nfs/dbraw/zinc/13/68/87/929136887.db2.gz ABTXFBZZCCTFBQ-VIFPVBQESA-N 1 1 323.357 -1.090 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001444638618 929138464 /nfs/dbraw/zinc/13/84/64/929138464.db2.gz UAUFOMNHEJNBQU-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444706983 929145892 /nfs/dbraw/zinc/14/58/92/929145892.db2.gz NFPXPBUUWQOQEP-SNVBAGLBSA-N 1 1 321.341 -1.441 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001444714092 929147781 /nfs/dbraw/zinc/14/77/81/929147781.db2.gz BYRLCXQFOJMNOQ-VIFPVBQESA-N 1 1 322.373 -1.502 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cnon1 ZINC001444711348 929147802 /nfs/dbraw/zinc/14/78/02/929147802.db2.gz GWMUAGOBZJCWIT-ONGXEEELSA-N 1 1 311.342 -1.287 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001444710902 929148526 /nfs/dbraw/zinc/14/85/26/929148526.db2.gz FWDVBZUOHOBQQF-SNVBAGLBSA-N 1 1 313.358 -1.041 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nonc1C ZINC001444726355 929150617 /nfs/dbraw/zinc/15/06/17/929150617.db2.gz OYRNOHBJOBQSHP-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ncccn1 ZINC001444730494 929152272 /nfs/dbraw/zinc/15/22/72/929152272.db2.gz VVDZBCWCCARNAB-SNVBAGLBSA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001444797733 929155071 /nfs/dbraw/zinc/15/50/71/929155071.db2.gz WPMJMWMYRMZBTD-VHSXEESVSA-N 1 1 324.389 -1.405 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1C ZINC001444844513 929155727 /nfs/dbraw/zinc/15/57/27/929155727.db2.gz LHPSCBASAUQWEQ-SNVBAGLBSA-N 1 1 307.362 -1.268 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001444797738 929155775 /nfs/dbraw/zinc/15/57/75/929155775.db2.gz WPMJMWMYRMZBTD-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001444968994 929158881 /nfs/dbraw/zinc/15/88/81/929158881.db2.gz CRMVXCLTKZQNOK-UHFFFAOYSA-N 1 1 324.385 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001444968994 929158886 /nfs/dbraw/zinc/15/88/86/929158886.db2.gz CRMVXCLTKZQNOK-UHFFFAOYSA-N 1 1 324.385 -1.192 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CCOC1 ZINC001444978196 929159629 /nfs/dbraw/zinc/15/96/29/929159629.db2.gz YNCWVKFMTRAUGG-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CCOC1 ZINC001444978196 929159636 /nfs/dbraw/zinc/15/96/36/929159636.db2.gz YNCWVKFMTRAUGG-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445012099 929160404 /nfs/dbraw/zinc/16/04/04/929160404.db2.gz WNJGULFUOZZQTH-JTQLQIEISA-N 1 1 312.374 -1.764 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445012099 929160411 /nfs/dbraw/zinc/16/04/11/929160411.db2.gz WNJGULFUOZZQTH-JTQLQIEISA-N 1 1 312.374 -1.764 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445012102 929160762 /nfs/dbraw/zinc/16/07/62/929160762.db2.gz WNJGULFUOZZQTH-SNVBAGLBSA-N 1 1 312.374 -1.764 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445012102 929160768 /nfs/dbraw/zinc/16/07/68/929160768.db2.gz WNJGULFUOZZQTH-SNVBAGLBSA-N 1 1 312.374 -1.764 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)COCc1nncn1C ZINC001445068482 929161404 /nfs/dbraw/zinc/16/14/04/929161404.db2.gz JXFRDCBUUKGGKE-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)COCc1nncn1C ZINC001445068482 929161409 /nfs/dbraw/zinc/16/14/09/929161409.db2.gz JXFRDCBUUKGGKE-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001445065691 929161477 /nfs/dbraw/zinc/16/14/77/929161477.db2.gz CXGQFVVWDXHNOY-UHFFFAOYSA-N 1 1 322.369 -1.333 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001445065691 929161482 /nfs/dbraw/zinc/16/14/82/929161482.db2.gz CXGQFVVWDXHNOY-UHFFFAOYSA-N 1 1 322.369 -1.333 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001445042016 929161581 /nfs/dbraw/zinc/16/15/81/929161581.db2.gz DCMOPRHOCSQMPE-UHFFFAOYSA-N 1 1 311.346 -1.346 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001445042016 929161587 /nfs/dbraw/zinc/16/15/87/929161587.db2.gz DCMOPRHOCSQMPE-UHFFFAOYSA-N 1 1 311.346 -1.346 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001445028573 929162590 /nfs/dbraw/zinc/16/25/90/929162590.db2.gz BDINEBMBMPBKNN-ZETCQYMHSA-N 1 1 300.319 -2.747 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001445028573 929162606 /nfs/dbraw/zinc/16/26/06/929162606.db2.gz BDINEBMBMPBKNN-ZETCQYMHSA-N 1 1 300.319 -2.747 20 0 DAADMO COCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001445120809 929163769 /nfs/dbraw/zinc/16/37/69/929163769.db2.gz WJRLPLCJPLAYFV-VIFPVBQESA-N 1 1 322.325 -1.260 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccnn2C)n1 ZINC001445131589 929166058 /nfs/dbraw/zinc/16/60/58/929166058.db2.gz HCKTWQIPZLBFPP-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001445142791 929166070 /nfs/dbraw/zinc/16/60/70/929166070.db2.gz ZIAFWTJLCNIMNL-SNVBAGLBSA-N 1 1 304.372 -1.969 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O)nn1 ZINC001445135582 929167255 /nfs/dbraw/zinc/16/72/55/929167255.db2.gz JGFZOIBUMXHPNI-BXKDBHETSA-N 1 1 312.374 -1.611 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cnnn1)c1ncccn1 ZINC001445141335 929167379 /nfs/dbraw/zinc/16/73/79/929167379.db2.gz ZTROEPNQGCRZSE-NXEZZACHSA-N 1 1 306.330 -1.709 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)nn1 ZINC001445150573 929168889 /nfs/dbraw/zinc/16/88/89/929168889.db2.gz ORLWCALJWXTPSC-SECBINFHSA-N 1 1 308.346 -1.989 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)cn1 ZINC001445148629 929169790 /nfs/dbraw/zinc/16/97/90/929169790.db2.gz VFFBXEFEMOXPRZ-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001445150299 929169860 /nfs/dbraw/zinc/16/98/60/929169860.db2.gz NUZNWBQWBLVVQU-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@](C)(O)C2CC2)nn1 ZINC001445151620 929169870 /nfs/dbraw/zinc/16/98/70/929169870.db2.gz IROCZXDHVVSCFS-JSGCOSHPSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)cn1 ZINC001445148605 929169902 /nfs/dbraw/zinc/16/99/02/929169902.db2.gz VFFBXEFEMOXPRZ-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001445152301 929170907 /nfs/dbraw/zinc/17/09/07/929170907.db2.gz QQIPVZSWMLGHAI-SECBINFHSA-N 1 1 314.346 -2.070 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)n1cccn1 ZINC001445156358 929172133 /nfs/dbraw/zinc/17/21/33/929172133.db2.gz LBZQKBZWGWJXLJ-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cncnc1 ZINC001445151773 929172366 /nfs/dbraw/zinc/17/23/66/929172366.db2.gz PNNLIMUVIQVOBZ-LLVKDONJSA-N 1 1 318.341 -1.322 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)OC)nn1 ZINC001445165205 929173349 /nfs/dbraw/zinc/17/33/49/929173349.db2.gz VUWCFBRJSYOOPW-SNVBAGLBSA-N 1 1 314.346 -1.779 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001445161068 929173939 /nfs/dbraw/zinc/17/39/39/929173939.db2.gz TYMXLZUAMNCCQR-QWRGUYRKSA-N 1 1 312.374 -1.407 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)nnn1C ZINC001445161505 929174663 /nfs/dbraw/zinc/17/46/63/929174663.db2.gz RTPNITQHBNXZEF-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445179092 929175759 /nfs/dbraw/zinc/17/57/59/929175759.db2.gz JMGVXOXUTQGOHX-KGLIPLIRSA-N 1 1 322.413 -1.276 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001445174823 929175925 /nfs/dbraw/zinc/17/59/25/929175925.db2.gz DDWPOHUDXUAKSW-ZJUUUORDSA-N 1 1 310.358 -2.047 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)n[nH]1 ZINC001445174417 929176041 /nfs/dbraw/zinc/17/60/41/929176041.db2.gz BUOHDFAIHLEAHI-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@H]2CCCNC2=O)n[nH]1 ZINC001445176031 929176060 /nfs/dbraw/zinc/17/60/60/929176060.db2.gz GIKJWWKOKXELOB-ZJUUUORDSA-N 1 1 310.358 -1.999 20 0 DAADMO Cc1cc(OCC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)no1 ZINC001445178745 929176812 /nfs/dbraw/zinc/17/68/12/929176812.db2.gz AVRLOTHXXMLABC-JTQLQIEISA-N 1 1 324.341 -1.243 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)n1 ZINC001445183668 929178027 /nfs/dbraw/zinc/17/80/27/929178027.db2.gz IYBXLVSNZDBKMN-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)o1 ZINC001445182804 929178088 /nfs/dbraw/zinc/17/80/88/929178088.db2.gz NJFUQJPKXLYMGS-VHSXEESVSA-N 1 1 309.330 -1.203 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001445182734 929178316 /nfs/dbraw/zinc/17/83/16/929178316.db2.gz NFWZLJWBMOIMIA-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001445191826 929180358 /nfs/dbraw/zinc/18/03/58/929180358.db2.gz OZMHQHYUNGBBQF-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@]12C[C@H]1COC2 ZINC001445190368 929180484 /nfs/dbraw/zinc/18/04/84/929180484.db2.gz QMDVWMKMSYSTGC-PXWWUCIGSA-N 1 1 322.369 -1.389 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cncn1C ZINC001445189507 929180511 /nfs/dbraw/zinc/18/05/11/929180511.db2.gz AFXUMVLNPIHASB-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@]12C[C@H]1COC2 ZINC001445190361 929181081 /nfs/dbraw/zinc/18/10/81/929181081.db2.gz QMDVWMKMSYSTGC-CHIMOYNISA-N 1 1 322.369 -1.389 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc(C)[nH]2)n1 ZINC001445192741 929182304 /nfs/dbraw/zinc/18/23/04/929182304.db2.gz ZKSQXTGURASGPQ-LLVKDONJSA-N 1 1 322.373 -1.466 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001445206496 929184506 /nfs/dbraw/zinc/18/45/06/929184506.db2.gz LHAGSBHATRGEOX-JGVFFNPUSA-N 1 1 320.375 -2.790 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001445206420 929185364 /nfs/dbraw/zinc/18/53/64/929185364.db2.gz LHAGSBHATRGEOX-HTQZYQBOSA-N 1 1 320.375 -2.790 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001445206500 929185457 /nfs/dbraw/zinc/18/54/57/929185457.db2.gz LHAGSBHATRGEOX-SFYZADRCSA-N 1 1 320.375 -2.790 20 0 DAADMO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001445206917 929185696 /nfs/dbraw/zinc/18/56/96/929185696.db2.gz JQLGYSJBBPBOCC-LLVKDONJSA-N 1 1 319.365 -1.001 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001445212105 929186317 /nfs/dbraw/zinc/18/63/17/929186317.db2.gz WKPBOSZLRQWCCG-VHSXEESVSA-N 1 1 324.385 -1.116 20 0 DAADMO COCC1(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001445210572 929187124 /nfs/dbraw/zinc/18/71/24/929187124.db2.gz MTZVQOUSVLLQRJ-NXEZZACHSA-N 1 1 312.374 -1.236 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445209970 929187179 /nfs/dbraw/zinc/18/71/79/929187179.db2.gz SKFFBDUUIIAMGK-NXEZZACHSA-N 1 1 312.374 -1.260 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001445210857 929187203 /nfs/dbraw/zinc/18/72/03/929187203.db2.gz AFKLQPAXGDSPHB-UWVGGRQHSA-N 1 1 310.358 -1.997 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cncn1C)c1nnnn1C ZINC001445212120 929187220 /nfs/dbraw/zinc/18/72/20/929187220.db2.gz WNAYBTOKBARWAB-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001445216629 929188682 /nfs/dbraw/zinc/18/86/82/929188682.db2.gz VEZBZUTYGHOJMP-CHWSQXEVSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001445213114 929189262 /nfs/dbraw/zinc/18/92/62/929189262.db2.gz RMMAVJPXQQXKTC-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001445212630 929189315 /nfs/dbraw/zinc/18/93/15/929189315.db2.gz QQJVSIITVJYRNA-JTQLQIEISA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O)s1 ZINC001445218959 929189477 /nfs/dbraw/zinc/18/94/77/929189477.db2.gz FHKBXSBJMRNQLI-APPZFPTMSA-N 1 1 315.399 -1.075 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)oc1C ZINC001445215275 929189625 /nfs/dbraw/zinc/18/96/25/929189625.db2.gz HMIPFJLSBXHUJC-SECBINFHSA-N 1 1 309.330 -1.305 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)Cn1ncn(C)c1=O ZINC001445212679 929190040 /nfs/dbraw/zinc/19/00/40/929190040.db2.gz QQJVSIITVJYRNA-SNVBAGLBSA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001445223944 929191456 /nfs/dbraw/zinc/19/14/56/929191456.db2.gz NQKKEFNQEVRLRA-NXEZZACHSA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001445225687 929191551 /nfs/dbraw/zinc/19/15/51/929191551.db2.gz AWVXMZHDWXVLKY-SECBINFHSA-N 1 1 321.341 -1.738 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cncnc2)nn1 ZINC001445219322 929191766 /nfs/dbraw/zinc/19/17/66/929191766.db2.gz YILLUGWIRIKMJL-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001445219224 929191776 /nfs/dbraw/zinc/19/17/76/929191776.db2.gz XYDCBEKTLVQFFF-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445221182 929191832 /nfs/dbraw/zinc/19/18/32/929191832.db2.gz BHJBDBJRMRTKCD-CYBMUJFWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001445219220 929191928 /nfs/dbraw/zinc/19/19/28/929191928.db2.gz XYDCBEKTLVQFFF-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)NC1=O ZINC001445221902 929192176 /nfs/dbraw/zinc/19/21/76/929192176.db2.gz IRVIEQWZLKOABE-DTWKUNHWSA-N 1 1 313.383 -1.267 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001445227640 929193745 /nfs/dbraw/zinc/19/37/45/929193745.db2.gz WBUHCTFENURIHQ-RKDXNWHRSA-N 1 1 302.331 -2.187 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001445233989 929194445 /nfs/dbraw/zinc/19/44/45/929194445.db2.gz OEXAUJRJRRAAKG-SECBINFHSA-N 1 1 307.314 -2.221 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001445241710 929195828 /nfs/dbraw/zinc/19/58/28/929195828.db2.gz UAGPMNVTXBXNCU-IUCAKERBSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]1 ZINC001445237521 929195934 /nfs/dbraw/zinc/19/59/34/929195934.db2.gz CFOJHZRJOJPQON-SCZZXKLOSA-N 1 1 322.373 -1.008 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 ZINC001445234257 929196083 /nfs/dbraw/zinc/19/60/83/929196083.db2.gz PGRWVQYAOARBGI-YPMHNXCESA-N 1 1 315.349 -1.007 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)O1 ZINC001445235964 929196492 /nfs/dbraw/zinc/19/64/92/929196492.db2.gz MUVNEANYPLSFHH-GARJFASQSA-N 1 1 323.353 -1.924 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001445248926 929197678 /nfs/dbraw/zinc/19/76/78/929197678.db2.gz JDYHIEIRWXGGHI-LLVKDONJSA-N 1 1 320.357 -1.460 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)[nH]1 ZINC001445244536 929198333 /nfs/dbraw/zinc/19/83/33/929198333.db2.gz DVFXYQHIPPAVNC-ZJUUUORDSA-N 1 1 310.358 -1.651 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001445248388 929198416 /nfs/dbraw/zinc/19/84/16/929198416.db2.gz QKLUAXSEOFERCM-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)c[nH]1 ZINC001445242782 929198497 /nfs/dbraw/zinc/19/84/97/929198497.db2.gz BTAVIXAJTXKOSH-SNVBAGLBSA-N 1 1 320.353 -1.308 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1n[nH]cc1F ZINC001445244585 929198524 /nfs/dbraw/zinc/19/85/24/929198524.db2.gz WAFDYWNFRQGVSO-QMMMGPOBSA-N 1 1 324.320 -1.249 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001445252001 929200124 /nfs/dbraw/zinc/20/01/24/929200124.db2.gz VYWDTUBCKUDBMH-MXWKQRLJSA-N 1 1 310.358 -2.014 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C ZINC001445249804 929200150 /nfs/dbraw/zinc/20/01/50/929200150.db2.gz HYOKUZHFOKVYGZ-BDAKNGLRSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC(C)(C)C ZINC001445249804 929200151 /nfs/dbraw/zinc/20/01/51/929200151.db2.gz HYOKUZHFOKVYGZ-BDAKNGLRSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)N1CCCCC1 ZINC001445256038 929200748 /nfs/dbraw/zinc/20/07/48/929200748.db2.gz PRTIGKOFKOEANB-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)N1CCCCC1 ZINC001445256038 929200755 /nfs/dbraw/zinc/20/07/55/929200755.db2.gz PRTIGKOFKOEANB-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC(C)(C)C ZINC001445249817 929201156 /nfs/dbraw/zinc/20/11/56/929201156.db2.gz HYOKUZHFOKVYGZ-IUCAKERBSA-N 1 1 312.374 -1.212 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC(C)(C)C ZINC001445249817 929201176 /nfs/dbraw/zinc/20/11/76/929201176.db2.gz HYOKUZHFOKVYGZ-IUCAKERBSA-N 1 1 312.374 -1.212 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001445253522 929201564 /nfs/dbraw/zinc/20/15/64/929201564.db2.gz WNMBBMMAXOYHND-MNOVXSKESA-N 1 1 312.374 -1.405 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnccn1 ZINC001445251333 929202430 /nfs/dbraw/zinc/20/24/30/929202430.db2.gz RTIFNIBFBXOCMA-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001445259594 929204521 /nfs/dbraw/zinc/20/45/21/929204521.db2.gz UXLWCTMFSXWIKQ-VHSXEESVSA-N 1 1 310.358 -1.950 20 0 DAADMO CCn1nncc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445264804 929204532 /nfs/dbraw/zinc/20/45/32/929204532.db2.gz TZNGOSUEJUUGHL-CYBMUJFWSA-N 1 1 322.413 -1.040 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)COc2cccnc2)nn1 ZINC001445262340 929204626 /nfs/dbraw/zinc/20/46/26/929204626.db2.gz YFWXARICEXLTSE-LBPRGKRZSA-N 1 1 320.353 -1.144 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001445261755 929204753 /nfs/dbraw/zinc/20/47/53/929204753.db2.gz VTRGITZMCINFPS-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001445268055 929207734 /nfs/dbraw/zinc/20/77/34/929207734.db2.gz MQTSMWBECMDBBP-SECBINFHSA-N 1 1 323.357 -2.267 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001445271886 929207979 /nfs/dbraw/zinc/20/79/79/929207979.db2.gz OBULPYBGLZPUPM-NSHDSACASA-N 1 1 321.337 -1.193 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001445273745 929208569 /nfs/dbraw/zinc/20/85/69/929208569.db2.gz QWLMOGGPWNVSPI-JTQLQIEISA-N 1 1 320.353 -1.274 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC(=O)N2C)nn1 ZINC001445275772 929209089 /nfs/dbraw/zinc/20/90/89/929209089.db2.gz IHTVKGPKISULSI-NEPJUHHUSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001445278964 929212151 /nfs/dbraw/zinc/21/21/51/929212151.db2.gz XNLXTUGETSJUSO-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)s1 ZINC001445278579 929213154 /nfs/dbraw/zinc/21/31/54/929213154.db2.gz ZSEOWXYGKPRUOD-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO O=C(CCN1CCCC1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001445278161 929213357 /nfs/dbraw/zinc/21/33/57/929213357.db2.gz RPDMUHKKMCNLMP-NSHDSACASA-N 1 1 311.342 -1.351 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001445278137 929213556 /nfs/dbraw/zinc/21/35/56/929213556.db2.gz XNLXTUGETSJUSO-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(CCN1CCCC1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001445278160 929213756 /nfs/dbraw/zinc/21/37/56/929213756.db2.gz RPDMUHKKMCNLMP-LLVKDONJSA-N 1 1 311.342 -1.351 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cnnn2)no1 ZINC001445281953 929213817 /nfs/dbraw/zinc/21/38/17/929213817.db2.gz XBRXOZWIDQNNKF-LLVKDONJSA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)c1cnn(C)c1 ZINC001445295323 929215992 /nfs/dbraw/zinc/21/59/92/929215992.db2.gz JADLXVJBMITYOC-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001445385125 929218284 /nfs/dbraw/zinc/21/82/84/929218284.db2.gz ZLCOCWDHNAOKRT-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CCNC(N)=O ZINC001445490750 929225306 /nfs/dbraw/zinc/22/53/06/929225306.db2.gz CIIWNOAMGJRJGR-MRVPVSSYSA-N 1 1 310.362 -1.339 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001445495895 929226045 /nfs/dbraw/zinc/22/60/45/929226045.db2.gz JTKSIKPHYHRBCP-HTQZYQBOSA-N 1 1 319.391 -2.085 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001445508712 929231283 /nfs/dbraw/zinc/23/12/83/929231283.db2.gz RDOJSMWEMKVMHC-VHSXEESVSA-N 1 1 324.385 -1.073 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O ZINC001445510190 929231547 /nfs/dbraw/zinc/23/15/47/929231547.db2.gz YVWMYNPMYDHMFL-CHWSQXEVSA-N 1 1 323.397 -1.020 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001445556179 929235423 /nfs/dbraw/zinc/23/54/23/929235423.db2.gz USCKYVOYAMOOBS-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn2c(n1)COCC2 ZINC001445578544 929235478 /nfs/dbraw/zinc/23/54/78/929235478.db2.gz XXKREBFPZKNPCZ-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](C)NC(=O)Cn1ncnn1 ZINC001445545717 929235921 /nfs/dbraw/zinc/23/59/21/929235921.db2.gz HEKNDCUWDQFBMX-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445561327 929236758 /nfs/dbraw/zinc/23/67/58/929236758.db2.gz HMLRATKSZGMRAO-OUAUKWLOSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN(C)C(=O)C1CC1 ZINC001445555596 929236953 /nfs/dbraw/zinc/23/69/53/929236953.db2.gz QNHBVTOSQUVNSK-VIFPVBQESA-N 1 1 309.374 -1.327 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445611507 929237931 /nfs/dbraw/zinc/23/79/31/929237931.db2.gz WQTDYPHZUVZKIK-UWVGGRQHSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@@H](CNCc1nnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001445628588 929242940 /nfs/dbraw/zinc/24/29/40/929242940.db2.gz MAQWNBMCBLXXFW-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001445638063 929244841 /nfs/dbraw/zinc/24/48/41/929244841.db2.gz JSDSKXXVMDCCFO-WOPDTQHZSA-N 1 1 312.370 -2.095 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1ccc(=O)n(C)n1)c1nnnn1C ZINC001445642582 929245453 /nfs/dbraw/zinc/24/54/53/929245453.db2.gz UCVIVSHZKSSWBN-DTWKUNHWSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001445642585 929246618 /nfs/dbraw/zinc/24/66/18/929246618.db2.gz UCVIVSHZKSSWBN-IUCAKERBSA-N 1 1 320.357 -1.227 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O ZINC001445656176 929247746 /nfs/dbraw/zinc/24/77/46/929247746.db2.gz XXZYQVFFELYRNU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445668382 929249571 /nfs/dbraw/zinc/24/95/71/929249571.db2.gz DSXBEZZJDUHUQZ-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445668382 929249575 /nfs/dbraw/zinc/24/95/75/929249575.db2.gz DSXBEZZJDUHUQZ-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445668377 929249705 /nfs/dbraw/zinc/24/97/05/929249705.db2.gz DSXBEZZJDUHUQZ-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445668377 929249720 /nfs/dbraw/zinc/24/97/20/929249720.db2.gz DSXBEZZJDUHUQZ-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001445667741 929250250 /nfs/dbraw/zinc/25/02/50/929250250.db2.gz NIACKMISXULISU-NEPJUHHUSA-N 1 1 323.353 -1.984 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001445665802 929250515 /nfs/dbraw/zinc/25/05/15/929250515.db2.gz QEUSUJSDBXIXPK-NEPJUHHUSA-N 1 1 323.397 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445664929 929250602 /nfs/dbraw/zinc/25/06/02/929250602.db2.gz AYYSZZVYJGAPAA-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445664929 929250608 /nfs/dbraw/zinc/25/06/08/929250608.db2.gz AYYSZZVYJGAPAA-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001445689083 929252159 /nfs/dbraw/zinc/25/21/59/929252159.db2.gz FXIKERGITACSLO-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001445689083 929252169 /nfs/dbraw/zinc/25/21/69/929252169.db2.gz FXIKERGITACSLO-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716136 929252838 /nfs/dbraw/zinc/25/28/38/929252838.db2.gz HCKCIHOUZRYQKG-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716136 929252851 /nfs/dbraw/zinc/25/28/51/929252851.db2.gz HCKCIHOUZRYQKG-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001445706679 929252890 /nfs/dbraw/zinc/25/28/90/929252890.db2.gz VEHCIFYPQYSRCM-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001445706679 929252902 /nfs/dbraw/zinc/25/29/02/929252902.db2.gz VEHCIFYPQYSRCM-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC001445726512 929254086 /nfs/dbraw/zinc/25/40/86/929254086.db2.gz FEAGAGMYEZRMDB-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC001445726512 929254095 /nfs/dbraw/zinc/25/40/95/929254095.db2.gz FEAGAGMYEZRMDB-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001445731215 929254164 /nfs/dbraw/zinc/25/41/64/929254164.db2.gz JXGMGDLMIAVSGP-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001445731215 929254175 /nfs/dbraw/zinc/25/41/75/929254175.db2.gz JXGMGDLMIAVSGP-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccncc1 ZINC001445726135 929254481 /nfs/dbraw/zinc/25/44/81/929254481.db2.gz YXINVAOATDBHFH-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)c1ccncc1 ZINC001445726135 929254490 /nfs/dbraw/zinc/25/44/90/929254490.db2.gz YXINVAOATDBHFH-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740506 929254637 /nfs/dbraw/zinc/25/46/37/929254637.db2.gz IGCLDKSBZMIFQD-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740506 929254646 /nfs/dbraw/zinc/25/46/46/929254646.db2.gz IGCLDKSBZMIFQD-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001445727174 929254867 /nfs/dbraw/zinc/25/48/67/929254867.db2.gz FSUFAFWVUPJIBH-NXEZZACHSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001445727174 929254876 /nfs/dbraw/zinc/25/48/76/929254876.db2.gz FSUFAFWVUPJIBH-NXEZZACHSA-N 1 1 302.375 -1.599 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC001445726518 929255176 /nfs/dbraw/zinc/25/51/76/929255176.db2.gz FEAGAGMYEZRMDB-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC001445726518 929255187 /nfs/dbraw/zinc/25/51/87/929255187.db2.gz FEAGAGMYEZRMDB-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001445761108 929256874 /nfs/dbraw/zinc/25/68/74/929256874.db2.gz ILPVBIRABFKHAX-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001445771946 929257256 /nfs/dbraw/zinc/25/72/56/929257256.db2.gz WRKISUIALHOEHM-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001445771946 929257267 /nfs/dbraw/zinc/25/72/67/929257267.db2.gz WRKISUIALHOEHM-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001445777151 929257408 /nfs/dbraw/zinc/25/74/08/929257408.db2.gz AFMPXEJXYPYPQR-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001445777151 929257420 /nfs/dbraw/zinc/25/74/20/929257420.db2.gz AFMPXEJXYPYPQR-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001445780557 929258216 /nfs/dbraw/zinc/25/82/16/929258216.db2.gz CYMMCMKNIKGLBB-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001445780557 929258225 /nfs/dbraw/zinc/25/82/25/929258225.db2.gz CYMMCMKNIKGLBB-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CCN1C(=O)CNC(N)=O ZINC001445782724 929258848 /nfs/dbraw/zinc/25/88/48/929258848.db2.gz DYEKHSGCQQNPLM-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445825257 929260079 /nfs/dbraw/zinc/26/00/79/929260079.db2.gz ZLPBZYJVDCTEBP-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445825257 929260091 /nfs/dbraw/zinc/26/00/91/929260091.db2.gz ZLPBZYJVDCTEBP-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cccnn1 ZINC001445833615 929261190 /nfs/dbraw/zinc/26/11/90/929261190.db2.gz ODGZKSLXTUKVSY-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccnn1 ZINC001445833615 929261198 /nfs/dbraw/zinc/26/11/98/929261198.db2.gz ODGZKSLXTUKVSY-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001445870405 929262003 /nfs/dbraw/zinc/26/20/03/929262003.db2.gz MXZAENZHMQYRHA-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001445870405 929262011 /nfs/dbraw/zinc/26/20/11/929262011.db2.gz MXZAENZHMQYRHA-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001445859713 929262602 /nfs/dbraw/zinc/26/26/02/929262602.db2.gz YFDUHMQKUCPNOI-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001445859713 929262612 /nfs/dbraw/zinc/26/26/12/929262612.db2.gz YFDUHMQKUCPNOI-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001445876719 929262696 /nfs/dbraw/zinc/26/26/96/929262696.db2.gz UJASIMWVUCGZLA-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001445867931 929262796 /nfs/dbraw/zinc/26/27/96/929262796.db2.gz JBCHKZCYHHDBLS-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001445867931 929262802 /nfs/dbraw/zinc/26/28/02/929262802.db2.gz JBCHKZCYHHDBLS-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001445890948 929263667 /nfs/dbraw/zinc/26/36/67/929263667.db2.gz XWXQNGOYFPOFKL-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001445890948 929263674 /nfs/dbraw/zinc/26/36/74/929263674.db2.gz XWXQNGOYFPOFKL-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001445927092 929264855 /nfs/dbraw/zinc/26/48/55/929264855.db2.gz FLDBLYMTYGNTRB-GZMMTYOYSA-N 1 1 309.374 -1.281 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001445955960 929265620 /nfs/dbraw/zinc/26/56/20/929265620.db2.gz UPNVWWJJIFDFME-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001445955955 929265985 /nfs/dbraw/zinc/26/59/85/929265985.db2.gz UPNVWWJJIFDFME-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001445997873 929266832 /nfs/dbraw/zinc/26/68/32/929266832.db2.gz JHXABWLFXMBDDH-QWRGUYRKSA-N 1 1 317.357 -1.357 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001446016871 929268581 /nfs/dbraw/zinc/26/85/81/929268581.db2.gz OHRJICWYQBQNQX-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001446016871 929268591 /nfs/dbraw/zinc/26/85/91/929268591.db2.gz OHRJICWYQBQNQX-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092068 929274391 /nfs/dbraw/zinc/27/43/91/929274391.db2.gz JQRWGZSRAYJJIX-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092068 929274400 /nfs/dbraw/zinc/27/44/00/929274400.db2.gz JQRWGZSRAYJJIX-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001446109519 929274579 /nfs/dbraw/zinc/27/45/79/929274579.db2.gz WPEGKZHYKNALII-NXEZZACHSA-N 1 1 310.354 -1.075 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCCF ZINC001446107011 929275034 /nfs/dbraw/zinc/27/50/34/929275034.db2.gz RLJIDFFDTJCJQX-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001446215153 929281579 /nfs/dbraw/zinc/28/15/79/929281579.db2.gz IGFDDDVOXWLZPI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001446215153 929281592 /nfs/dbraw/zinc/28/15/92/929281592.db2.gz IGFDDDVOXWLZPI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]3C(N)=O)CC2)nc1=O ZINC001446228618 929282969 /nfs/dbraw/zinc/28/29/69/929282969.db2.gz ZKFPIALEZSMLJI-BDAKNGLRSA-N 1 1 322.369 -1.642 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)nc1=O ZINC001446228620 929283256 /nfs/dbraw/zinc/28/32/56/929283256.db2.gz ZKFPIALEZSMLJI-IUCAKERBSA-N 1 1 322.369 -1.642 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001446342777 929285459 /nfs/dbraw/zinc/28/54/59/929285459.db2.gz PWOXKAHMGNBFMT-HZMBPMFUSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001446342777 929285472 /nfs/dbraw/zinc/28/54/72/929285472.db2.gz PWOXKAHMGNBFMT-HZMBPMFUSA-N 1 1 311.386 -1.157 20 0 DAADMO CNC(=O)[C@H](C)N1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001446391610 929288904 /nfs/dbraw/zinc/28/89/04/929288904.db2.gz OFYLCEPGSURZSG-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCNS(C)(=O)=O)C1 ZINC001446399213 929288972 /nfs/dbraw/zinc/28/89/72/929288972.db2.gz OFICYXROGPVIJG-NSHDSACASA-N 1 1 318.443 -1.370 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001446478908 929293235 /nfs/dbraw/zinc/29/32/35/929293235.db2.gz QTLBMIFUVJXIBN-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)CCn2cnnn2)CC1 ZINC001446478333 929294055 /nfs/dbraw/zinc/29/40/55/929294055.db2.gz OVVMEBLZYRWRQV-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO CC1(NC(=O)CN2CCOCC2=O)CC[NH+](CC(N)=O)CC1 ZINC001446470534 929294567 /nfs/dbraw/zinc/29/45/67/929294567.db2.gz BNIBKXRVFJHMIR-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO COCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001446503142 929295627 /nfs/dbraw/zinc/29/56/27/929295627.db2.gz AYYOYFXGSCDVQD-HNNXBMFYSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001446503142 929295637 /nfs/dbraw/zinc/29/56/37/929295637.db2.gz AYYOYFXGSCDVQD-HNNXBMFYSA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@@]1(NC(=O)Cc2ccon2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446524484 929296147 /nfs/dbraw/zinc/29/61/47/929296147.db2.gz QLCXYFJSCDRVRE-CYBMUJFWSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@@]1(NC(=O)Cc2ccon2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446524484 929296157 /nfs/dbraw/zinc/29/61/57/929296157.db2.gz QLCXYFJSCDRVRE-CYBMUJFWSA-N 1 1 309.326 -1.007 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001446524219 929296408 /nfs/dbraw/zinc/29/64/08/929296408.db2.gz GNTATIUXAQQEFK-YGRLFVJLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446529914 929297154 /nfs/dbraw/zinc/29/71/54/929297154.db2.gz GMQIUOABJFVLJW-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@]1(NC(=O)CCNS(C)(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001446544453 929298041 /nfs/dbraw/zinc/29/80/41/929298041.db2.gz YENDCTJTYFSNIV-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@]1(NC(=O)CCNS(C)(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001446544453 929298055 /nfs/dbraw/zinc/29/80/55/929298055.db2.gz YENDCTJTYFSNIV-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)CCNC(N)=O)C2)C1=O ZINC001446570189 929298189 /nfs/dbraw/zinc/29/81/89/929298189.db2.gz ZDHQRSJTHCZPNR-QMTHXVAHSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001446543184 929298993 /nfs/dbraw/zinc/29/89/93/929298993.db2.gz VSFXZVSJJUONKK-IINYFYTJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446542594 929299518 /nfs/dbraw/zinc/29/95/18/929299518.db2.gz MODPUQXTIYBCAH-NHYWBVRUSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)CCNC(N)=O)C2)C1=O ZINC001446570185 929299596 /nfs/dbraw/zinc/29/95/96/929299596.db2.gz ZDHQRSJTHCZPNR-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCNC2=O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446544254 929299724 /nfs/dbraw/zinc/29/97/24/929299724.db2.gz YDZUITKEKSRRNO-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCNC2=O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446544254 929299731 /nfs/dbraw/zinc/29/97/31/929299731.db2.gz YDZUITKEKSRRNO-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001446584347 929300403 /nfs/dbraw/zinc/30/04/03/929300403.db2.gz SLKUKILTPYLEFA-SMDDNHRTSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001446578767 929301023 /nfs/dbraw/zinc/30/10/23/929301023.db2.gz RDTXIMGZYVTJPW-LBPRGKRZSA-N 1 1 305.346 -1.030 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446736337 929304844 /nfs/dbraw/zinc/30/48/44/929304844.db2.gz KGGAJNYYPJTPHK-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446736337 929304856 /nfs/dbraw/zinc/30/48/56/929304856.db2.gz KGGAJNYYPJTPHK-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001446738650 929304957 /nfs/dbraw/zinc/30/49/57/929304957.db2.gz QLLNHWUTPZDSDS-BXUZGUMPSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1)N1CCC1 ZINC001446736307 929305130 /nfs/dbraw/zinc/30/51/30/929305130.db2.gz DPWLGKJDGHGMRG-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1)N1CCC1 ZINC001446736307 929305138 /nfs/dbraw/zinc/30/51/38/929305138.db2.gz DPWLGKJDGHGMRG-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)C1=COCCO1 ZINC001446732419 929305585 /nfs/dbraw/zinc/30/55/85/929305585.db2.gz DAIQSBXCQHCFSR-AWEZNQCLSA-N 1 1 323.353 -1.281 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446736759 929305659 /nfs/dbraw/zinc/30/56/59/929305659.db2.gz ISSOMQHRKIZMGA-QPUJVOFHSA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446736759 929305670 /nfs/dbraw/zinc/30/56/70/929305670.db2.gz ISSOMQHRKIZMGA-QPUJVOFHSA-N 1 1 301.347 -2.658 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001446717711 929305710 /nfs/dbraw/zinc/30/57/10/929305710.db2.gz ABPLLXCRUBJEBJ-XPTSAGLGSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001446717711 929305718 /nfs/dbraw/zinc/30/57/18/929305718.db2.gz ABPLLXCRUBJEBJ-XPTSAGLGSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001446717706 929305741 /nfs/dbraw/zinc/30/57/41/929305741.db2.gz ABPLLXCRUBJEBJ-LKFCYVNXSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001446717706 929305751 /nfs/dbraw/zinc/30/57/51/929305751.db2.gz ABPLLXCRUBJEBJ-LKFCYVNXSA-N 1 1 312.370 -1.077 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnccn1 ZINC001446738632 929306097 /nfs/dbraw/zinc/30/60/97/929306097.db2.gz HUTFYPSXLUVHBY-DOMZBBRYSA-N 1 1 319.365 -1.078 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001446723986 929306373 /nfs/dbraw/zinc/30/63/73/929306373.db2.gz IIQBZSADTMOEAJ-ZDUSSCGKSA-N 1 1 300.359 -1.789 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001446745921 929307692 /nfs/dbraw/zinc/30/76/92/929307692.db2.gz SAJJSYSHIIZKIW-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 ZINC001446751210 929307773 /nfs/dbraw/zinc/30/77/73/929307773.db2.gz BFWGOXDGXGUJKK-AWEZNQCLSA-N 1 1 323.353 -1.363 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c2)C1 ZINC001446751210 929307786 /nfs/dbraw/zinc/30/77/86/929307786.db2.gz BFWGOXDGXGUJKK-AWEZNQCLSA-N 1 1 323.353 -1.363 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446747598 929307878 /nfs/dbraw/zinc/30/78/78/929307878.db2.gz CSBUWSHZFAUIKB-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446747598 929307889 /nfs/dbraw/zinc/30/78/89/929307889.db2.gz CSBUWSHZFAUIKB-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO Cn1ncnc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446750406 929308289 /nfs/dbraw/zinc/30/82/89/929308289.db2.gz WZBWEOKIZAVLMM-WFASDCNBSA-N 1 1 322.413 -1.038 20 0 DAADMO COCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)nn1 ZINC001446751244 929308498 /nfs/dbraw/zinc/30/84/98/929308498.db2.gz BRYBXEZDEUGWFF-CYBMUJFWSA-N 1 1 313.358 -1.917 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2nccnc2C)C1 ZINC001446750148 929309414 /nfs/dbraw/zinc/30/94/14/929309414.db2.gz ZSYGGRSQYLUABW-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2nccnc2C)C1 ZINC001446750148 929309429 /nfs/dbraw/zinc/30/94/29/929309429.db2.gz ZSYGGRSQYLUABW-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751543 929309646 /nfs/dbraw/zinc/30/96/46/929309646.db2.gz BYHBFYNPBCDWSH-NHYWBVRUSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751543 929309654 /nfs/dbraw/zinc/30/96/54/929309654.db2.gz BYHBFYNPBCDWSH-NHYWBVRUSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741722 929309904 /nfs/dbraw/zinc/30/99/04/929309904.db2.gz ATIOPCXPRJAVMO-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741722 929309912 /nfs/dbraw/zinc/30/99/12/929309912.db2.gz ATIOPCXPRJAVMO-QMTHXVAHSA-N 1 1 309.370 -1.611 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001446745214 929310549 /nfs/dbraw/zinc/31/05/49/929310549.db2.gz GMHYWGJDQAEBAZ-ABAIWWIYSA-N 1 1 324.381 -1.903 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001446745214 929310563 /nfs/dbraw/zinc/31/05/63/929310563.db2.gz GMHYWGJDQAEBAZ-ABAIWWIYSA-N 1 1 324.381 -1.903 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2C)C1 ZINC001446742537 929310611 /nfs/dbraw/zinc/31/06/11/929310611.db2.gz YRQFJHOGTXMESQ-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760229 929311598 /nfs/dbraw/zinc/31/15/98/929311598.db2.gz PEVLURAQKMPUQY-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760229 929311609 /nfs/dbraw/zinc/31/16/09/929311609.db2.gz PEVLURAQKMPUQY-BMIGLBTASA-N 1 1 321.381 -1.130 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1=O ZINC001446756322 929311717 /nfs/dbraw/zinc/31/17/17/929311717.db2.gz LGUZUZZMIFQUFP-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1=O ZINC001446756322 929311731 /nfs/dbraw/zinc/31/17/31/929311731.db2.gz LGUZUZZMIFQUFP-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753732 929312570 /nfs/dbraw/zinc/31/25/70/929312570.db2.gz DOJJDRYQJMASTQ-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753732 929312578 /nfs/dbraw/zinc/31/25/78/929312578.db2.gz DOJJDRYQJMASTQ-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760258 929312649 /nfs/dbraw/zinc/31/26/49/929312649.db2.gz PEVLURAQKMPUQY-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760258 929312661 /nfs/dbraw/zinc/31/26/61/929312661.db2.gz PEVLURAQKMPUQY-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446757091 929312933 /nfs/dbraw/zinc/31/29/33/929312933.db2.gz WHALYSPJWVRLQU-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446757091 929312943 /nfs/dbraw/zinc/31/29/43/929312943.db2.gz WHALYSPJWVRLQU-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001446758898 929313180 /nfs/dbraw/zinc/31/31/80/929313180.db2.gz LFHDFJLLAQVUNQ-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001446758898 929313190 /nfs/dbraw/zinc/31/31/90/929313190.db2.gz LFHDFJLLAQVUNQ-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446757084 929313256 /nfs/dbraw/zinc/31/32/56/929313256.db2.gz WHALYSPJWVRLQU-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001446757084 929313262 /nfs/dbraw/zinc/31/32/62/929313262.db2.gz WHALYSPJWVRLQU-HNNXBMFYSA-N 1 1 321.381 -1.258 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760248 929313287 /nfs/dbraw/zinc/31/32/87/929313287.db2.gz PEVLURAQKMPUQY-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760248 929313299 /nfs/dbraw/zinc/31/32/99/929313299.db2.gz PEVLURAQKMPUQY-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446755448 929313956 /nfs/dbraw/zinc/31/39/56/929313956.db2.gz AQQHYOBFEQBVKX-QMTHXVAHSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446756930 929314042 /nfs/dbraw/zinc/31/40/42/929314042.db2.gz IMVTVJYWAFBMIM-DGCLKSJQSA-N 1 1 312.374 -1.613 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001446755429 929314312 /nfs/dbraw/zinc/31/43/12/929314312.db2.gz AGJQXDOSLANOQC-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001446755429 929314318 /nfs/dbraw/zinc/31/43/18/929314318.db2.gz AGJQXDOSLANOQC-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(C2CC2)n1 ZINC001446757416 929314436 /nfs/dbraw/zinc/31/44/36/929314436.db2.gz WUXMIGVEFBTQSV-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(C2CC2)n1 ZINC001446757416 929314448 /nfs/dbraw/zinc/31/44/48/929314448.db2.gz WUXMIGVEFBTQSV-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001446764950 929314929 /nfs/dbraw/zinc/31/49/29/929314929.db2.gz UNJXPWOJMXRHJP-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001446764950 929314941 /nfs/dbraw/zinc/31/49/41/929314941.db2.gz UNJXPWOJMXRHJP-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(O)CCN([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769182 929315390 /nfs/dbraw/zinc/31/53/90/929315390.db2.gz ZUNBBPIFYBCXFA-CZUORRHYSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446764126 929315624 /nfs/dbraw/zinc/31/56/24/929315624.db2.gz JVQHIWGCZFUZEU-ZANVPECISA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446764126 929315635 /nfs/dbraw/zinc/31/56/35/929315635.db2.gz JVQHIWGCZFUZEU-ZANVPECISA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cccn3)C2)nn1 ZINC001446762902 929315765 /nfs/dbraw/zinc/31/57/65/929315765.db2.gz IEYZOXRCEHLNKQ-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446762621 929315873 /nfs/dbraw/zinc/31/58/73/929315873.db2.gz LZRWBZHHTIQPIK-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446762621 929315887 /nfs/dbraw/zinc/31/58/87/929315887.db2.gz LZRWBZHHTIQPIK-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncs2)C1 ZINC001446765504 929316315 /nfs/dbraw/zinc/31/63/15/929316315.db2.gz VTDAOYCXLLNYFL-ZDUSSCGKSA-N 1 1 312.395 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cncs2)C1 ZINC001446765504 929316324 /nfs/dbraw/zinc/31/63/24/929316324.db2.gz VTDAOYCXLLNYFL-ZDUSSCGKSA-N 1 1 312.395 -1.015 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446762625 929316358 /nfs/dbraw/zinc/31/63/58/929316358.db2.gz SJVUJZCTPZXKBW-QMTHXVAHSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446762625 929316367 /nfs/dbraw/zinc/31/63/67/929316367.db2.gz SJVUJZCTPZXKBW-QMTHXVAHSA-N 1 1 307.354 -1.525 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446769338 929316405 /nfs/dbraw/zinc/31/64/05/929316405.db2.gz CSDIRWFDKPLUGN-FZMZJTMJSA-N 1 1 324.385 -1.657 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ncccc2F)C1 ZINC001446769644 929316449 /nfs/dbraw/zinc/31/64/49/929316449.db2.gz FAOJIJPDTQCEBR-CQSZACIVSA-N 1 1 310.329 -1.199 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncccc2F)C1 ZINC001446769644 929316457 /nfs/dbraw/zinc/31/64/57/929316457.db2.gz FAOJIJPDTQCEBR-CQSZACIVSA-N 1 1 310.329 -1.199 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001446770279 929316513 /nfs/dbraw/zinc/31/65/13/929316513.db2.gz RHXKTXDTYBFJIB-MFKMUULPSA-N 1 1 301.343 -2.170 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001446770279 929316518 /nfs/dbraw/zinc/31/65/18/929316518.db2.gz RHXKTXDTYBFJIB-MFKMUULPSA-N 1 1 301.343 -2.170 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001446761374 929316589 /nfs/dbraw/zinc/31/65/89/929316589.db2.gz PQPBWZZJTPHBBW-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446762898 929316630 /nfs/dbraw/zinc/31/66/30/929316630.db2.gz WSLDYFZDKWOFLW-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446762898 929316639 /nfs/dbraw/zinc/31/66/39/929316639.db2.gz WSLDYFZDKWOFLW-OAHLLOKOSA-N 1 1 321.381 -1.292 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446761408 929316826 /nfs/dbraw/zinc/31/68/26/929316826.db2.gz HUJAZERNELFJAT-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446761408 929316837 /nfs/dbraw/zinc/31/68/37/929316837.db2.gz HUJAZERNELFJAT-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(O)CCN([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769180 929317105 /nfs/dbraw/zinc/31/71/05/929317105.db2.gz ZUNBBPIFYBCXFA-BBRMVZONSA-N 1 1 324.425 -1.088 20 0 DAADMO CC(C)[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446764235 929317603 /nfs/dbraw/zinc/31/76/03/929317603.db2.gz FHHMFNXNTNZXKF-ZWNOBZJWSA-N 1 1 318.349 -1.272 20 0 DAADMO CC(C)[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446764235 929317605 /nfs/dbraw/zinc/31/76/05/929317605.db2.gz FHHMFNXNTNZXKF-ZWNOBZJWSA-N 1 1 318.349 -1.272 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446762624 929317653 /nfs/dbraw/zinc/31/76/53/929317653.db2.gz SJVUJZCTPZXKBW-IINYFYTJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446762624 929317665 /nfs/dbraw/zinc/31/76/65/929317665.db2.gz SJVUJZCTPZXKBW-IINYFYTJSA-N 1 1 307.354 -1.525 20 0 DAADMO CC(C)[C@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446764212 929317681 /nfs/dbraw/zinc/31/76/81/929317681.db2.gz FHHMFNXNTNZXKF-GXFFZTMASA-N 1 1 318.349 -1.272 20 0 DAADMO CC(C)[C@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446764212 929317691 /nfs/dbraw/zinc/31/76/91/929317691.db2.gz FHHMFNXNTNZXKF-GXFFZTMASA-N 1 1 318.349 -1.272 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001446764965 929317725 /nfs/dbraw/zinc/31/77/25/929317725.db2.gz UNJXPWOJMXRHJP-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001446764965 929317733 /nfs/dbraw/zinc/31/77/33/929317733.db2.gz UNJXPWOJMXRHJP-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cnco1 ZINC001446767099 929317957 /nfs/dbraw/zinc/31/79/57/929317957.db2.gz AJMWLFROILEOAG-AWEZNQCLSA-N 1 1 323.353 -1.134 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001446761376 929318060 /nfs/dbraw/zinc/31/80/60/929318060.db2.gz PQPBWZZJTPHBBW-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001446773580 929318640 /nfs/dbraw/zinc/31/86/40/929318640.db2.gz NXFXNTOSLAIOLY-SMTWKSNJSA-N 1 1 323.393 -1.290 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC001446774134 929318924 /nfs/dbraw/zinc/31/89/24/929318924.db2.gz WMJYKSGDNOJAPG-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC001446774134 929318926 /nfs/dbraw/zinc/31/89/26/929318926.db2.gz WMJYKSGDNOJAPG-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC3CCOCC3)C2)n1 ZINC001446778524 929319150 /nfs/dbraw/zinc/31/91/50/929319150.db2.gz ZPBSKZVNHHWJAU-AWEZNQCLSA-N 1 1 324.385 -1.197 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2nnnn2CC1 ZINC001446782064 929319373 /nfs/dbraw/zinc/31/93/73/929319373.db2.gz CCACZNHXDWIWPC-FZMZJTMJSA-N 1 1 324.385 -1.829 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001446771726 929320026 /nfs/dbraw/zinc/32/00/26/929320026.db2.gz UCDIXCYYYZUNLJ-GWCFXTLKSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(CCn1ccnc1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446781777 929320726 /nfs/dbraw/zinc/32/07/26/929320726.db2.gz YUXHBCKNHZHYTP-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446781777 929320737 /nfs/dbraw/zinc/32/07/37/929320737.db2.gz YUXHBCKNHZHYTP-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cccnc2)C1 ZINC001446776583 929321298 /nfs/dbraw/zinc/32/12/98/929321298.db2.gz WMKRSJYLDOBPIK-OAHLLOKOSA-N 1 1 306.366 -1.077 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cccnc2)C1 ZINC001446776583 929321305 /nfs/dbraw/zinc/32/13/05/929321305.db2.gz WMKRSJYLDOBPIK-OAHLLOKOSA-N 1 1 306.366 -1.077 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446795083 929322056 /nfs/dbraw/zinc/32/20/56/929322056.db2.gz CEALOGKNZVDVGI-CYBMUJFWSA-N 1 1 320.357 -1.808 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001446795083 929322068 /nfs/dbraw/zinc/32/20/68/929322068.db2.gz CEALOGKNZVDVGI-CYBMUJFWSA-N 1 1 320.357 -1.808 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446795083 929322078 /nfs/dbraw/zinc/32/20/78/929322078.db2.gz CEALOGKNZVDVGI-CYBMUJFWSA-N 1 1 320.357 -1.808 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446792300 929322263 /nfs/dbraw/zinc/32/22/63/929322263.db2.gz ZWZFKDZNMVXUAQ-HNNXBMFYSA-N 1 1 324.381 -1.490 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001446798985 929322631 /nfs/dbraw/zinc/32/26/31/929322631.db2.gz FYDGZLBCKZAMEW-XPTSAGLGSA-N 1 1 310.354 -1.339 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001446790095 929322699 /nfs/dbraw/zinc/32/26/99/929322699.db2.gz WGTTYTKXMXHAAK-ZUZCIYMTSA-N 1 1 324.381 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001446790095 929322710 /nfs/dbraw/zinc/32/27/10/929322710.db2.gz WGTTYTKXMXHAAK-ZUZCIYMTSA-N 1 1 324.381 -1.205 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001446794555 929323576 /nfs/dbraw/zinc/32/35/76/929323576.db2.gz NYARRHKBRXOXPE-XPTSAGLGSA-N 1 1 310.354 -1.339 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001446794557 929323604 /nfs/dbraw/zinc/32/36/04/929323604.db2.gz NYARRHKBRXOXPE-YMTOWFKASA-N 1 1 310.354 -1.339 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1noc2c1COCC2 ZINC001446791255 929323809 /nfs/dbraw/zinc/32/38/09/929323809.db2.gz JPUIMZLKMNOELL-CQSZACIVSA-N 1 1 311.338 -1.094 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446785934 929323900 /nfs/dbraw/zinc/32/39/00/929323900.db2.gz GEZBFGRKRNYPPE-SMDDNHRTSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446785934 929323913 /nfs/dbraw/zinc/32/39/13/929323913.db2.gz GEZBFGRKRNYPPE-SMDDNHRTSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446795115 929324075 /nfs/dbraw/zinc/32/40/75/929324075.db2.gz CEALOGKNZVDVGI-ZDUSSCGKSA-N 1 1 320.357 -1.808 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001446795115 929324084 /nfs/dbraw/zinc/32/40/84/929324084.db2.gz CEALOGKNZVDVGI-ZDUSSCGKSA-N 1 1 320.357 -1.808 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446795115 929324097 /nfs/dbraw/zinc/32/40/97/929324097.db2.gz CEALOGKNZVDVGI-ZDUSSCGKSA-N 1 1 320.357 -1.808 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001446790131 929324197 /nfs/dbraw/zinc/32/41/97/929324197.db2.gz HGOYYXPUTHMNPD-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446792309 929324220 /nfs/dbraw/zinc/32/42/20/929324220.db2.gz FAZNHVNDNXXPDX-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446798905 929324363 /nfs/dbraw/zinc/32/43/63/929324363.db2.gz CEJQBLILTUVCSU-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001446784026 929325013 /nfs/dbraw/zinc/32/50/13/929325013.db2.gz QFTHVCACDFVUJX-HNNXBMFYSA-N 1 1 315.414 -1.356 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)CCC2 ZINC001446799451 929325189 /nfs/dbraw/zinc/32/51/89/929325189.db2.gz IEEQWAXCBLZEDF-OAHLLOKOSA-N 1 1 321.381 -1.439 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)CCC2 ZINC001446799451 929325198 /nfs/dbraw/zinc/32/51/98/929325198.db2.gz IEEQWAXCBLZEDF-OAHLLOKOSA-N 1 1 321.381 -1.439 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446791562 929325281 /nfs/dbraw/zinc/32/52/81/929325281.db2.gz KSKQXQVGKLXZAI-AWEZNQCLSA-N 1 1 307.354 -1.309 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446791562 929325293 /nfs/dbraw/zinc/32/52/93/929325293.db2.gz KSKQXQVGKLXZAI-AWEZNQCLSA-N 1 1 307.354 -1.309 20 0 DAADMO O=C(CCCn1cncn1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001446807648 929325800 /nfs/dbraw/zinc/32/58/00/929325800.db2.gz RCYIREPOUHCNQS-AWEZNQCLSA-N 1 1 311.386 -1.006 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446810495 929325973 /nfs/dbraw/zinc/32/59/73/929325973.db2.gz DLDCNJZLUOCNQT-CYBMUJFWSA-N 1 1 311.342 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446810495 929325986 /nfs/dbraw/zinc/32/59/86/929325986.db2.gz DLDCNJZLUOCNQT-CYBMUJFWSA-N 1 1 311.342 -1.367 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446804620 929326221 /nfs/dbraw/zinc/32/62/21/929326221.db2.gz XZAQELQUSZLHDE-AWEZNQCLSA-N 1 1 301.387 -1.210 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001446806870 929326282 /nfs/dbraw/zinc/32/62/82/929326282.db2.gz QOLHTINVRNFEHO-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001446806870 929326290 /nfs/dbraw/zinc/32/62/90/929326290.db2.gz QOLHTINVRNFEHO-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446804627 929326318 /nfs/dbraw/zinc/32/63/18/929326318.db2.gz XZAQELQUSZLHDE-CQSZACIVSA-N 1 1 301.387 -1.210 20 0 DAADMO O=C(CCCn1cncn1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001446807650 929326548 /nfs/dbraw/zinc/32/65/48/929326548.db2.gz RCYIREPOUHCNQS-CQSZACIVSA-N 1 1 311.386 -1.006 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446816507 929327224 /nfs/dbraw/zinc/32/72/24/929327224.db2.gz LWBFFLLADMQLGF-OAHLLOKOSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446816507 929327235 /nfs/dbraw/zinc/32/72/35/929327235.db2.gz LWBFFLLADMQLGF-OAHLLOKOSA-N 1 1 321.381 -1.285 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446809396 929327546 /nfs/dbraw/zinc/32/75/46/929327546.db2.gz WTUKHLKXRFDMHQ-CYBMUJFWSA-N 1 1 310.358 -2.012 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446809396 929327555 /nfs/dbraw/zinc/32/75/55/929327555.db2.gz WTUKHLKXRFDMHQ-CYBMUJFWSA-N 1 1 310.358 -2.012 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001446803880 929328119 /nfs/dbraw/zinc/32/81/19/929328119.db2.gz INCNHOBTKOHENC-TZMCWYRMSA-N 1 1 309.370 -1.132 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CCC2CCOCC2)C1 ZINC001446826050 929329961 /nfs/dbraw/zinc/32/99/61/929329961.db2.gz BRAUILBPGOALHF-UHFFFAOYSA-N 1 1 324.385 -1.347 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001446825681 929330067 /nfs/dbraw/zinc/33/00/67/929330067.db2.gz BIIARUKBNRWXOS-UWVGGRQHSA-N 1 1 300.359 -2.646 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001446825681 929330074 /nfs/dbraw/zinc/33/00/74/929330074.db2.gz BIIARUKBNRWXOS-UWVGGRQHSA-N 1 1 300.359 -2.646 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3ncccn3)C2)C1 ZINC001446837880 929334270 /nfs/dbraw/zinc/33/42/70/929334270.db2.gz OMWPQGZEBTZSED-LBPRGKRZSA-N 1 1 321.381 -1.530 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3ncccn3)C2)C1 ZINC001446837880 929334282 /nfs/dbraw/zinc/33/42/82/929334282.db2.gz OMWPQGZEBTZSED-LBPRGKRZSA-N 1 1 321.381 -1.530 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001446836240 929334695 /nfs/dbraw/zinc/33/46/95/929334695.db2.gz MLOZSRFMIDLBIT-SNVBAGLBSA-N 1 1 301.343 -1.458 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(CC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001446837712 929334751 /nfs/dbraw/zinc/33/47/51/929334751.db2.gz ZZZVPEFUGPNWQC-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001446856111 929338001 /nfs/dbraw/zinc/33/80/01/929338001.db2.gz WJADUKOJXWLKMH-UHFFFAOYSA-N 1 1 323.397 -1.167 20 0 DAADMO COCC(=O)NCCC(=O)NCC1(O)C[NH+](CC(C)C)C1 ZINC001446855160 929338664 /nfs/dbraw/zinc/33/86/64/929338664.db2.gz KLBWPMGNHBQHEA-UHFFFAOYSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001446853176 929339260 /nfs/dbraw/zinc/33/92/60/929339260.db2.gz HGWQVINVXJOUCE-LBPRGKRZSA-N 1 1 321.381 -1.367 20 0 DAADMO CC[C@@H](C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)OC ZINC001446863989 929341909 /nfs/dbraw/zinc/34/19/09/929341909.db2.gz DQKGONJRZMCXJL-JTQLQIEISA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCNC(=O)CC2)C1)c1cnon1 ZINC001446881655 929344579 /nfs/dbraw/zinc/34/45/79/929344579.db2.gz IVOCNJFTJBGZLH-SNVBAGLBSA-N 1 1 323.353 -1.238 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001446891464 929346546 /nfs/dbraw/zinc/34/65/46/929346546.db2.gz KPWMRHRFCVHOGQ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1nc(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)ccc1=O ZINC001446899806 929347748 /nfs/dbraw/zinc/34/77/48/929347748.db2.gz VCHAVZSHFJGVEI-LLVKDONJSA-N 1 1 322.365 -1.407 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001446894886 929348437 /nfs/dbraw/zinc/34/84/37/929348437.db2.gz TWBJPIRFTIOIEN-HNNXBMFYSA-N 1 1 324.425 -1.229 20 0 DAADMO CCn1nncc1CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446913315 929351107 /nfs/dbraw/zinc/35/11/07/929351107.db2.gz QQSYDPXBMSOEOY-LBPRGKRZSA-N 1 1 322.413 -1.087 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001446929849 929352748 /nfs/dbraw/zinc/35/27/48/929352748.db2.gz XNRLFROPIATXSX-TUAOUCFPSA-N 1 1 319.427 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001446929863 929352956 /nfs/dbraw/zinc/35/29/56/929352956.db2.gz XUMCKPKUEBSGQQ-SRVKXCTJSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001446973897 929355645 /nfs/dbraw/zinc/35/56/45/929355645.db2.gz LPCGTJGKSGUHON-TUAOUCFPSA-N 1 1 323.397 -1.416 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001446975036 929356070 /nfs/dbraw/zinc/35/60/70/929356070.db2.gz PDFSBRXGKIRPDF-DTORHVGOSA-N 1 1 321.341 -1.986 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C1 ZINC001446968803 929356142 /nfs/dbraw/zinc/35/61/42/929356142.db2.gz BQDWTYZTMGXZQZ-BETUJISGSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001447010022 929358347 /nfs/dbraw/zinc/35/83/47/929358347.db2.gz TYRAOPZIHIIPLN-UHFFFAOYSA-N 1 1 323.401 -1.323 20 0 DAADMO CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001447010022 929358357 /nfs/dbraw/zinc/35/83/57/929358357.db2.gz TYRAOPZIHIIPLN-UHFFFAOYSA-N 1 1 323.401 -1.323 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001447009969 929358491 /nfs/dbraw/zinc/35/84/91/929358491.db2.gz ZNMMVFWZWPSVBP-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001447009967 929360016 /nfs/dbraw/zinc/36/00/16/929360016.db2.gz ZNMMVFWZWPSVBP-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001447011437 929361384 /nfs/dbraw/zinc/36/13/84/929361384.db2.gz BWGKKMBBGPSRGC-NHYWBVRUSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001447011437 929361395 /nfs/dbraw/zinc/36/13/95/929361395.db2.gz BWGKKMBBGPSRGC-NHYWBVRUSA-N 1 1 313.398 -1.021 20 0 DAADMO O=C(CN1CCOCC1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001447014670 929362003 /nfs/dbraw/zinc/36/20/03/929362003.db2.gz JGVFPRDHZAQFJC-HNNXBMFYSA-N 1 1 315.414 -1.356 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001447013499 929362042 /nfs/dbraw/zinc/36/20/42/929362042.db2.gz TXUAHRQFPSQXIA-CQSZACIVSA-N 1 1 301.387 -1.210 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001447012086 929362546 /nfs/dbraw/zinc/36/25/46/929362546.db2.gz OBFPWJIRDYUSTA-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001447011445 929362636 /nfs/dbraw/zinc/36/26/36/929362636.db2.gz BWGKKMBBGPSRGC-XHDPSFHLSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001447011445 929362641 /nfs/dbraw/zinc/36/26/41/929362641.db2.gz BWGKKMBBGPSRGC-XHDPSFHLSA-N 1 1 313.398 -1.021 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001447011795 929362664 /nfs/dbraw/zinc/36/26/64/929362664.db2.gz SUFYCKUPCJYQIF-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001447011421 929362992 /nfs/dbraw/zinc/36/29/92/929362992.db2.gz BWGKKMBBGPSRGC-ABAIWWIYSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001447011421 929363002 /nfs/dbraw/zinc/36/30/02/929363002.db2.gz BWGKKMBBGPSRGC-ABAIWWIYSA-N 1 1 313.398 -1.021 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001447111578 929369375 /nfs/dbraw/zinc/36/93/75/929369375.db2.gz SBBMOQGSVYFMDH-NEPJUHHUSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001447157153 929373267 /nfs/dbraw/zinc/37/32/67/929373267.db2.gz HZMIMQQRQHZXIJ-MNOVXSKESA-N 1 1 321.385 -1.214 20 0 DAADMO COC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001447183677 929375965 /nfs/dbraw/zinc/37/59/65/929375965.db2.gz GTJIBLBAADLKBZ-UHFFFAOYSA-N 1 1 311.346 -1.305 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 ZINC001447218665 929376235 /nfs/dbraw/zinc/37/62/35/929376235.db2.gz KZXRWJIKSBVHQY-SNVBAGLBSA-N 1 1 321.385 -1.033 20 0 DAADMO COCCC(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001447265795 929377896 /nfs/dbraw/zinc/37/78/96/929377896.db2.gz MMRVPGWXASKQFZ-JTQLQIEISA-N 1 1 313.358 -1.538 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001447296906 929383575 /nfs/dbraw/zinc/38/35/75/929383575.db2.gz CDOJTDOVLCNWSM-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447310551 929384468 /nfs/dbraw/zinc/38/44/68/929384468.db2.gz SINYJPQUQZLDKT-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1cc[nH]n1 ZINC001447323504 929385226 /nfs/dbraw/zinc/38/52/26/929385226.db2.gz CAVBBGOQUHRFEG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001447323504 929385234 /nfs/dbraw/zinc/38/52/34/929385234.db2.gz CAVBBGOQUHRFEG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001447323504 929385246 /nfs/dbraw/zinc/38/52/46/929385246.db2.gz CAVBBGOQUHRFEG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001447327849 929386355 /nfs/dbraw/zinc/38/63/55/929386355.db2.gz XTTISPCLUPHMBD-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cn(C)nn1 ZINC001447336728 929387500 /nfs/dbraw/zinc/38/75/00/929387500.db2.gz ZVFZDSBXWOGBLF-UHFFFAOYSA-N 1 1 311.346 -1.596 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1ncnn1 ZINC001447348725 929387777 /nfs/dbraw/zinc/38/77/77/929387777.db2.gz YVDGEURGWQKLLM-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCn1cnnn1)O2 ZINC001447387205 929388999 /nfs/dbraw/zinc/38/89/99/929388999.db2.gz PMPJQTGUQNXPNN-NEPJUHHUSA-N 1 1 324.385 -1.206 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001447379670 929389094 /nfs/dbraw/zinc/38/90/94/929389094.db2.gz QSQDHXYZDKHMEQ-UHFFFAOYSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC(=O)NC[C@@H]1CCC2(C[NH+](C[C@H](O)COC)C2)O1 ZINC001447381108 929389166 /nfs/dbraw/zinc/38/91/66/929389166.db2.gz WQGKVNPRGWSZAE-RYUDHWBXSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCn1cnnn1)O2 ZINC001447387206 929389866 /nfs/dbraw/zinc/38/98/66/929389866.db2.gz PMPJQTGUQNXPNN-NWDGAFQWSA-N 1 1 324.385 -1.206 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001447512419 929397586 /nfs/dbraw/zinc/39/75/86/929397586.db2.gz SCWBGIKFVBSQHZ-PHIMTYICSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447526173 929397641 /nfs/dbraw/zinc/39/76/41/929397641.db2.gz LSROWNAAPOYXJS-MXWKQRLJSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001447564714 929398519 /nfs/dbraw/zinc/39/85/19/929398519.db2.gz JZDNMEHXABNABR-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C1=CC[N@@H+](C)CC1 ZINC001447565514 929400061 /nfs/dbraw/zinc/40/00/61/929400061.db2.gz WQTNIDRXBXYXKP-MNOVXSKESA-N 1 1 321.385 -1.056 20 0 DAADMO CNC(=O)NCCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001447600921 929401166 /nfs/dbraw/zinc/40/11/66/929401166.db2.gz SQTJWJOIZRCSLV-UHFFFAOYSA-N 1 1 313.402 -1.874 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001447631933 929403843 /nfs/dbraw/zinc/40/38/43/929403843.db2.gz KRXOGHQQUCFWSF-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001447631933 929403851 /nfs/dbraw/zinc/40/38/51/929403851.db2.gz KRXOGHQQUCFWSF-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001447650882 929403865 /nfs/dbraw/zinc/40/38/65/929403865.db2.gz HERDGLYRCSARMW-ZYHUDNBSSA-N 1 1 322.431 -1.610 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001447650880 929403919 /nfs/dbraw/zinc/40/39/19/929403919.db2.gz HERDGLYRCSARMW-JQWIXIFHSA-N 1 1 322.431 -1.610 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC001447618160 929404040 /nfs/dbraw/zinc/40/40/40/929404040.db2.gz QSZWZJIGQYLMEP-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2COCCO2)CC1 ZINC001447701184 929407165 /nfs/dbraw/zinc/40/71/65/929407165.db2.gz CJUQGZWHXMNMFJ-MNOVXSKESA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2COCCO2)CC1 ZINC001447701187 929407271 /nfs/dbraw/zinc/40/72/71/929407271.db2.gz CJUQGZWHXMNMFJ-WDEREUQCSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2COCCO2)CC1 ZINC001447701186 929408056 /nfs/dbraw/zinc/40/80/56/929408056.db2.gz CJUQGZWHXMNMFJ-QWRGUYRKSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H](C)n2cncn2)CC1 ZINC001447719208 929408180 /nfs/dbraw/zinc/40/81/80/929408180.db2.gz LWGBDYUDXAMFLC-MNOVXSKESA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2COCCO2)CC1 ZINC001447701183 929408295 /nfs/dbraw/zinc/40/82/95/929408295.db2.gz CJUQGZWHXMNMFJ-GHMZBOCLSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C2=COCCO2)CC1 ZINC001447695117 929408370 /nfs/dbraw/zinc/40/83/70/929408370.db2.gz FBVNWSKJNPAJFG-SNVBAGLBSA-N 1 1 313.354 -1.309 20 0 DAADMO C[C@H](C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1)n1cncn1 ZINC001447719219 929408432 /nfs/dbraw/zinc/40/84/32/929408432.db2.gz LWGBDYUDXAMFLC-WDEREUQCSA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)C2=COCCO2)CC1 ZINC001447695116 929408606 /nfs/dbraw/zinc/40/86/06/929408606.db2.gz FBVNWSKJNPAJFG-JTQLQIEISA-N 1 1 313.354 -1.309 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC001447726696 929409637 /nfs/dbraw/zinc/40/96/37/929409637.db2.gz WMBVCAJFZDJMDZ-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001447730443 929410120 /nfs/dbraw/zinc/41/01/20/929410120.db2.gz PHMMBOVZNXNAIV-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001447756339 929410228 /nfs/dbraw/zinc/41/02/28/929410228.db2.gz ANHZTBRWMFEFHV-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCNC(N)=O ZINC001447748829 929410782 /nfs/dbraw/zinc/41/07/82/929410782.db2.gz GMLNRULLOQMHSO-BXUZGUMPSA-N 1 1 319.365 -1.098 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CO)CCN(CC(N)=O)CC2)C1 ZINC001447730411 929410794 /nfs/dbraw/zinc/41/07/94/929410794.db2.gz PEMBGMHUHKOAKA-LBPRGKRZSA-N 1 1 312.414 -1.243 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001447771927 929412331 /nfs/dbraw/zinc/41/23/31/929412331.db2.gz NATVXCIXLNAXOX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001447771927 929412336 /nfs/dbraw/zinc/41/23/36/929412336.db2.gz NATVXCIXLNAXOX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001447771916 929412386 /nfs/dbraw/zinc/41/23/86/929412386.db2.gz NATVXCIXLNAXOX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001447771916 929412390 /nfs/dbraw/zinc/41/23/90/929412390.db2.gz NATVXCIXLNAXOX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001447758821 929412439 /nfs/dbraw/zinc/41/24/39/929412439.db2.gz PLHDPVFKBJYIEV-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001447762764 929412487 /nfs/dbraw/zinc/41/24/87/929412487.db2.gz MHYQBVWBVAWRDY-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001447762764 929412491 /nfs/dbraw/zinc/41/24/91/929412491.db2.gz MHYQBVWBVAWRDY-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nonc1C ZINC001447940404 929418822 /nfs/dbraw/zinc/41/88/22/929418822.db2.gz RELKKEZXGSHLGQ-YUMQZZPRSA-N 1 1 319.387 -1.090 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nonc1C ZINC001447940400 929418962 /nfs/dbraw/zinc/41/89/62/929418962.db2.gz RELKKEZXGSHLGQ-SFYZADRCSA-N 1 1 319.387 -1.090 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCS(C)(=O)=O ZINC001447938714 929419413 /nfs/dbraw/zinc/41/94/13/929419413.db2.gz FKJPUGIDUVZBEN-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCS(C)(=O)=O ZINC001447938717 929419574 /nfs/dbraw/zinc/41/95/74/929419574.db2.gz FKJPUGIDUVZBEN-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001447948051 929420392 /nfs/dbraw/zinc/42/03/92/929420392.db2.gz OMCVFXYHEZJGEU-UWVGGRQHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1=COCCO1 ZINC001447982297 929420593 /nfs/dbraw/zinc/42/05/93/929420593.db2.gz IHSVXPKMNBOYPF-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1=COCCO1 ZINC001447982297 929420600 /nfs/dbraw/zinc/42/06/00/929420600.db2.gz IHSVXPKMNBOYPF-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CN1CN=NC1=O ZINC001447963563 929420820 /nfs/dbraw/zinc/42/08/20/929420820.db2.gz WPQHPPJUHOZAJI-HBNTYKKESA-N 1 1 324.385 -1.055 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001447987613 929420859 /nfs/dbraw/zinc/42/08/59/929420859.db2.gz BPLJCEGCYYXYGF-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001447987613 929420862 /nfs/dbraw/zinc/42/08/62/929420862.db2.gz BPLJCEGCYYXYGF-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](CNC(=O)c1cnsn1)[N@H+](C)CC(=O)NC(N)=O ZINC001447986371 929421041 /nfs/dbraw/zinc/42/10/41/929421041.db2.gz IXGMPVOLDOAZPQ-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](CNC(=O)c1cnsn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001447986371 929421045 /nfs/dbraw/zinc/42/10/45/929421045.db2.gz IXGMPVOLDOAZPQ-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CCN1CCNC1=O ZINC001448016438 929422651 /nfs/dbraw/zinc/42/26/51/929422651.db2.gz UHOFPXOLDBHSGR-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448024725 929423505 /nfs/dbraw/zinc/42/35/05/929423505.db2.gz KDSWZKUFRCGLRI-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001448030718 929424915 /nfs/dbraw/zinc/42/49/15/929424915.db2.gz CUHNGHDGNFSLDH-UWVGGRQHSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001448030718 929424923 /nfs/dbraw/zinc/42/49/23/929424923.db2.gz CUHNGHDGNFSLDH-UWVGGRQHSA-N 1 1 302.375 -1.599 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001448027091 929425094 /nfs/dbraw/zinc/42/50/94/929425094.db2.gz BHLOMNQTJBYMNP-GHMZBOCLSA-N 1 1 324.447 -1.458 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001448030323 929426561 /nfs/dbraw/zinc/42/65/61/929426561.db2.gz CNOVZUOHQZVKND-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001448030323 929426572 /nfs/dbraw/zinc/42/65/72/929426572.db2.gz CNOVZUOHQZVKND-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001448046917 929427542 /nfs/dbraw/zinc/42/75/42/929427542.db2.gz ZPTDKYORJKHWKW-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001448062157 929427917 /nfs/dbraw/zinc/42/79/17/929427917.db2.gz HXQINFSNSWAYJN-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[N@H+](C)CC(N)=O ZINC001448071748 929429042 /nfs/dbraw/zinc/42/90/42/929429042.db2.gz QMCZAYTZLMLUPG-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[N@@H+](C)CC(N)=O ZINC001448071748 929429046 /nfs/dbraw/zinc/42/90/46/929429046.db2.gz QMCZAYTZLMLUPG-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](CNC(=O)CCc1cn[nH]c1)[N@H+](C)CC(=O)NC(N)=O ZINC001448098105 929430554 /nfs/dbraw/zinc/43/05/54/929430554.db2.gz CHXKHPGJXUCBPG-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](CNC(=O)CCc1cn[nH]c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448098105 929430559 /nfs/dbraw/zinc/43/05/59/929430559.db2.gz CHXKHPGJXUCBPG-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001448187059 929438970 /nfs/dbraw/zinc/43/89/70/929438970.db2.gz UONIOLOTKVSHSK-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CN1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001448187662 929439180 /nfs/dbraw/zinc/43/91/80/929439180.db2.gz INZADQDWDSHOIU-BFHYXJOUSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001448283789 929444665 /nfs/dbraw/zinc/44/46/65/929444665.db2.gz ZLWJKLAJCDEKAF-GXSJLCMTSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448306651 929445000 /nfs/dbraw/zinc/44/50/00/929445000.db2.gz PTDKMDYWTXXTQZ-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448306653 929445067 /nfs/dbraw/zinc/44/50/67/929445067.db2.gz PTDKMDYWTXXTQZ-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001448295172 929445101 /nfs/dbraw/zinc/44/51/01/929445101.db2.gz MYWQVNCMVISCMP-NWDGAFQWSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448326455 929447569 /nfs/dbraw/zinc/44/75/69/929447569.db2.gz CVJNCDYMAOIQBU-ZJUUUORDSA-N 1 1 311.386 -2.272 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001448381504 929449760 /nfs/dbraw/zinc/44/97/60/929449760.db2.gz BGIOMAWFRNKHEH-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001448402895 929450637 /nfs/dbraw/zinc/45/06/37/929450637.db2.gz GJTQETVNTLXMQV-XYJRDEOASA-N 1 1 310.398 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001448407260 929450792 /nfs/dbraw/zinc/45/07/92/929450792.db2.gz KPVRSJPABQZBIC-YFKTTZPYSA-N 1 1 324.381 -1.085 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)cn1 ZINC001448426312 929451259 /nfs/dbraw/zinc/45/12/59/929451259.db2.gz VRTIXMHGYSGBOH-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001448426281 929451280 /nfs/dbraw/zinc/45/12/80/929451280.db2.gz VERSLWKURRGYJU-RTCCRHLQSA-N 1 1 305.400 -1.788 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001448416669 929451436 /nfs/dbraw/zinc/45/14/36/929451436.db2.gz NREPFYIINHSQRN-XYYAHUGASA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC)[C@@H]2C1 ZINC001448397836 929451514 /nfs/dbraw/zinc/45/15/14/929451514.db2.gz PSKWOBZMSWRPSV-DBIOUOCHSA-N 1 1 312.370 -1.229 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001448416818 929451538 /nfs/dbraw/zinc/45/15/38/929451538.db2.gz OITADYHLZSNSNE-FVCCEPFGSA-N 1 1 320.393 -1.305 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001448434366 929452360 /nfs/dbraw/zinc/45/23/60/929452360.db2.gz XCWIRJLQQJJKFU-KKOKHZNYSA-N 1 1 306.370 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn(C)nn3)[C@@H]2C1 ZINC001448462294 929455343 /nfs/dbraw/zinc/45/53/43/929455343.db2.gz DCVKMVTWYMFBMT-XYJRDEOASA-N 1 1 320.397 -1.085 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001448470498 929455434 /nfs/dbraw/zinc/45/54/34/929455434.db2.gz SRBOPOYLOMEYOA-PSASIEDQSA-N 1 1 311.342 -1.570 20 0 DAADMO CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001448535199 929458302 /nfs/dbraw/zinc/45/83/02/929458302.db2.gz HNVULXKWRZRBDY-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001448546606 929458495 /nfs/dbraw/zinc/45/84/95/929458495.db2.gz VKPLDNSOZYJVFF-UHFFFAOYSA-N 1 1 321.403 -2.552 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001448550423 929458996 /nfs/dbraw/zinc/45/89/96/929458996.db2.gz ZXRQRQAATQIMRT-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448695037 929462948 /nfs/dbraw/zinc/46/29/48/929462948.db2.gz FZKQTTZMGIJASA-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448695037 929462957 /nfs/dbraw/zinc/46/29/57/929462957.db2.gz FZKQTTZMGIJASA-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001448667817 929463914 /nfs/dbraw/zinc/46/39/14/929463914.db2.gz BWAXUGUSSBMLIH-ZJUUUORDSA-N 1 1 309.374 -1.375 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(F)F)N1CCNC(=O)C1 ZINC001448787735 929471217 /nfs/dbraw/zinc/47/12/17/929471217.db2.gz YZXNFLPAHBBPPC-ZETCQYMHSA-N 1 1 308.285 -2.723 20 0 DAADMO COCCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001448775491 929472286 /nfs/dbraw/zinc/47/22/86/929472286.db2.gz BCBUWQLUHABZDA-SNVBAGLBSA-N 1 1 316.358 -2.952 20 0 DAADMO C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001448780518 929472633 /nfs/dbraw/zinc/47/26/33/929472633.db2.gz SNGCVBAOYAOBMK-SECBINFHSA-N 1 1 320.357 -1.446 20 0 DAADMO CN(CCNC(=O)CN1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448805286 929473405 /nfs/dbraw/zinc/47/34/05/929473405.db2.gz XQNCAZBEYQZTPW-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccco1)N1CCNC(=O)C1 ZINC001448799772 929473466 /nfs/dbraw/zinc/47/34/66/929473466.db2.gz NKENFEOKUKQGMD-SNVBAGLBSA-N 1 1 324.337 -2.082 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CN2CCOCC2)n1 ZINC001448813791 929477903 /nfs/dbraw/zinc/47/79/03/929477903.db2.gz DVHCFDIZDDHASE-ZDUSSCGKSA-N 1 1 311.386 -1.681 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2CCOCC2)n1 ZINC001448813790 929478743 /nfs/dbraw/zinc/47/87/43/929478743.db2.gz DVHCFDIZDDHASE-CYBMUJFWSA-N 1 1 311.386 -1.681 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2cn(C)nn2)CC[N@H+]1C ZINC001448820180 929480380 /nfs/dbraw/zinc/48/03/80/929480380.db2.gz HHUANLPAZPODLB-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)ncn1 ZINC001448821974 929480623 /nfs/dbraw/zinc/48/06/23/929480623.db2.gz ALRCQKMROSRSEL-KBPBESRZSA-N 1 1 323.397 -1.318 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2nnn(C)n2)CC[N@H+]1C ZINC001448818365 929480892 /nfs/dbraw/zinc/48/08/92/929480892.db2.gz BUNDZTUTEIHIQP-OUAUKWLOSA-N 1 1 311.390 -1.883 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cnn1 ZINC001448826987 929483885 /nfs/dbraw/zinc/48/38/85/929483885.db2.gz SSOYSXCEEFCXCK-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001448829180 929483995 /nfs/dbraw/zinc/48/39/95/929483995.db2.gz GLCCREXXLMDCFD-UWVGGRQHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc2ccon2)c1 ZINC001448829198 929486396 /nfs/dbraw/zinc/48/63/96/929486396.db2.gz GPABDHDTAWOENM-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001448830052 929486989 /nfs/dbraw/zinc/48/69/89/929486989.db2.gz OUFJSTMSZDZCMK-WDEREUQCSA-N 1 1 309.326 -1.540 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001448829340 929487237 /nfs/dbraw/zinc/48/72/37/929487237.db2.gz IYCSAFWQGUCNPI-MNOVXSKESA-N 1 1 324.385 -1.077 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001448839699 929489916 /nfs/dbraw/zinc/48/99/16/929489916.db2.gz ZZNCVKFQYMZXJF-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448840203 929490187 /nfs/dbraw/zinc/49/01/87/929490187.db2.gz KAARIPCNVUBQAR-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001448839703 929490285 /nfs/dbraw/zinc/49/02/85/929490285.db2.gz ZZNCVKFQYMZXJF-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)s1 ZINC001448840306 929490735 /nfs/dbraw/zinc/49/07/35/929490735.db2.gz KIUOVXOCVWJGLV-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448840200 929491021 /nfs/dbraw/zinc/49/10/21/929491021.db2.gz KAARIPCNVUBQAR-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001448841431 929491388 /nfs/dbraw/zinc/49/13/88/929491388.db2.gz LXSHLYCKMJIDPA-NEPJUHHUSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c(=O)c1 ZINC001448846188 929493514 /nfs/dbraw/zinc/49/35/14/929493514.db2.gz XGKWTVUWUXSSJU-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001448862880 929499099 /nfs/dbraw/zinc/49/90/99/929499099.db2.gz USZGHYNGYYGQDI-ZYHUDNBSSA-N 1 1 309.370 -1.487 20 0 DAADMO COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]nc2c1CCC2 ZINC001448867584 929499733 /nfs/dbraw/zinc/49/97/33/929499733.db2.gz UIOYLCRNHVRHIZ-NXEZZACHSA-N 1 1 312.370 -1.414 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)c1 ZINC001448865158 929500164 /nfs/dbraw/zinc/50/01/64/929500164.db2.gz PILASNGPVPYNMF-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448876344 929504713 /nfs/dbraw/zinc/50/47/13/929504713.db2.gz CIFPIICGLPZPIG-LBPRGKRZSA-N 1 1 321.385 -1.105 20 0 DAADMO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)CN1CCOCC1 ZINC001448883225 929505945 /nfs/dbraw/zinc/50/59/45/929505945.db2.gz QHAWBUZUXNGILF-OLZOCXBDSA-N 1 1 317.430 -1.208 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001448882184 929506443 /nfs/dbraw/zinc/50/64/43/929506443.db2.gz GQIIQWHNNJDCEL-GXSJLCMTSA-N 1 1 311.342 -1.427 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)N[C@@H]2CCCNC2=O)CC1 ZINC001448899550 929511232 /nfs/dbraw/zinc/51/12/32/929511232.db2.gz RIKUICAQZZAUTN-VXGBXAGGSA-N 1 1 312.414 -1.327 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001448895776 929511517 /nfs/dbraw/zinc/51/15/17/929511517.db2.gz MHXBTVFYBOYBLA-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)Cn2ncnn2)CC[N@H+]1C ZINC001448901058 929511754 /nfs/dbraw/zinc/51/17/54/929511754.db2.gz ZCFZLGBBWOBKJY-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)N[C@H]2CCCNC2=O)CC1 ZINC001448899525 929511996 /nfs/dbraw/zinc/51/19/96/929511996.db2.gz RIKUICAQZZAUTN-NEPJUHHUSA-N 1 1 312.414 -1.327 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001448915305 929512855 /nfs/dbraw/zinc/51/28/55/929512855.db2.gz YRMUSBVHMSVMDL-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2nnnn2C)C1 ZINC001448911747 929514946 /nfs/dbraw/zinc/51/49/46/929514946.db2.gz SVBZJEGCKYJBHK-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001448925223 929519197 /nfs/dbraw/zinc/51/91/97/929519197.db2.gz CFNYPQTXVPKXJF-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO Cc1nc(CN[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001448940781 929520407 /nfs/dbraw/zinc/52/04/07/929520407.db2.gz DTWFTUDINDKAFV-NSHDSACASA-N 1 1 308.386 -1.224 20 0 DAADMO NC(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001448943471 929522969 /nfs/dbraw/zinc/52/29/69/929522969.db2.gz XXSXNFLQDCHMTK-CYBMUJFWSA-N 1 1 312.414 -1.340 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001448943844 929523109 /nfs/dbraw/zinc/52/31/09/929523109.db2.gz PJLDSLWDZHWFCV-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1cncn1C ZINC001448945883 929523711 /nfs/dbraw/zinc/52/37/11/929523711.db2.gz LGBKCFKJYVAJQW-LLVKDONJSA-N 1 1 321.385 -1.159 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001448955285 929524986 /nfs/dbraw/zinc/52/49/86/929524986.db2.gz PFCYXMBWRACYLT-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H](C)c1nnnn1C ZINC001448952763 929525037 /nfs/dbraw/zinc/52/50/37/929525037.db2.gz OYRLKOBCHHWNHO-QWRGUYRKSA-N 1 1 313.406 -1.322 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H](C)C(=O)NC(N)=O ZINC001448953159 929526246 /nfs/dbraw/zinc/52/62/46/929526246.db2.gz VFSDOTAGKHEXCW-VHSXEESVSA-N 1 1 317.390 -2.023 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H](C)C(=O)NC(N)=O ZINC001448953159 929526251 /nfs/dbraw/zinc/52/62/51/929526251.db2.gz VFSDOTAGKHEXCW-VHSXEESVSA-N 1 1 317.390 -2.023 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001448975268 929528766 /nfs/dbraw/zinc/52/87/66/929528766.db2.gz HIZKMYYXRQXJQZ-ZJUUUORDSA-N 1 1 315.399 -1.029 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C[C@@H]1C ZINC001448992747 929530248 /nfs/dbraw/zinc/53/02/48/929530248.db2.gz FCXAIQWTJHWPCH-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C[C@@H]1C ZINC001448992743 929530357 /nfs/dbraw/zinc/53/03/57/929530357.db2.gz FCXAIQWTJHWPCH-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001449038802 929532314 /nfs/dbraw/zinc/53/23/14/929532314.db2.gz YTYMKYUFLBGOAU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001449038802 929532320 /nfs/dbraw/zinc/53/23/20/929532320.db2.gz YTYMKYUFLBGOAU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c(=O)[nH]c1=O ZINC001449062201 929534528 /nfs/dbraw/zinc/53/45/28/929534528.db2.gz AOSWNSVVRFGUJD-ZJUUUORDSA-N 1 1 308.338 -1.233 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001449081429 929535395 /nfs/dbraw/zinc/53/53/95/929535395.db2.gz NMGXTLKURYXXBR-VIFPVBQESA-N 1 1 308.342 -1.002 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001449058769 929535666 /nfs/dbraw/zinc/53/56/66/929535666.db2.gz GTBRBVFOFOPTSU-VIFPVBQESA-N 1 1 324.389 -1.534 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cc[nH]n1 ZINC001449104871 929540035 /nfs/dbraw/zinc/54/00/35/929540035.db2.gz QXMZYEGKBZGFHT-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)CS(C)(=O)=O ZINC001449098559 929540315 /nfs/dbraw/zinc/54/03/15/929540315.db2.gz WSUYRUQUORXRSN-JTQLQIEISA-N 1 1 305.356 -1.372 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)CN1CCOCC1 ZINC001449116307 929541597 /nfs/dbraw/zinc/54/15/97/929541597.db2.gz UFMRCBZSSCEVIU-CYBMUJFWSA-N 1 1 312.370 -1.084 20 0 DAADMO CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449112542 929541819 /nfs/dbraw/zinc/54/18/19/929541819.db2.gz NABHEAWEWDEAFE-QWRGUYRKSA-N 1 1 311.390 -1.787 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449121846 929543416 /nfs/dbraw/zinc/54/34/16/929543416.db2.gz RHAKAHXMHONHAI-LBPRGKRZSA-N 1 1 312.374 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1cnn(C)c1 ZINC001449121854 929543658 /nfs/dbraw/zinc/54/36/58/929543658.db2.gz WUMDPTYXWBFCAY-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001449119953 929544364 /nfs/dbraw/zinc/54/43/64/929544364.db2.gz YFYNUPNVGJJSSH-DTWKUNHWSA-N 1 1 313.362 -2.219 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449121834 929544754 /nfs/dbraw/zinc/54/47/54/929544754.db2.gz RHAKAHXMHONHAI-GFCCVEGCSA-N 1 1 312.374 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001449125172 929546456 /nfs/dbraw/zinc/54/64/56/929546456.db2.gz KOAZWBHNCJXZEL-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001449125166 929546988 /nfs/dbraw/zinc/54/69/88/929546988.db2.gz XEUVAZSPDBBXPC-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nccs1 ZINC001449132661 929547978 /nfs/dbraw/zinc/54/79/78/929547978.db2.gz DQEOTJQSVRDEKL-VIFPVBQESA-N 1 1 315.399 -1.019 20 0 DAADMO C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1)NC(N)=O ZINC001449135453 929547995 /nfs/dbraw/zinc/54/79/95/929547995.db2.gz ZZUZAYAXHWZQPO-GHMZBOCLSA-N 1 1 324.385 -1.168 20 0 DAADMO C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1)NC(N)=O ZINC001449135459 929548152 /nfs/dbraw/zinc/54/81/52/929548152.db2.gz ZZUZAYAXHWZQPO-WDEREUQCSA-N 1 1 324.385 -1.168 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]2CCNC2=O)[nH]1 ZINC001449131243 929549077 /nfs/dbraw/zinc/54/90/77/929549077.db2.gz DPMQTVPQJGAWQR-MNOVXSKESA-N 1 1 324.385 -1.452 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]2CCNC2=O)[nH]1 ZINC001449132638 929549379 /nfs/dbraw/zinc/54/93/79/929549379.db2.gz DPMQTVPQJGAWQR-QWRGUYRKSA-N 1 1 324.385 -1.452 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)[nH]1 ZINC001449130393 929549396 /nfs/dbraw/zinc/54/93/96/929549396.db2.gz UKGLFWKQFPWKFJ-SNVBAGLBSA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001449143283 929551157 /nfs/dbraw/zinc/55/11/57/929551157.db2.gz FHBGNOQCTKJECU-VIFPVBQESA-N 1 1 310.314 -1.269 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)c1c[nH]c(=O)cn1 ZINC001449138978 929551681 /nfs/dbraw/zinc/55/16/81/929551681.db2.gz NIGMNLVGYJWTSW-QMMMGPOBSA-N 1 1 324.366 -1.156 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001449150581 929553504 /nfs/dbraw/zinc/55/35/04/929553504.db2.gz LAABZXHVHIMQGR-APPZFPTMSA-N 1 1 323.361 -1.580 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001449159860 929557656 /nfs/dbraw/zinc/55/76/56/929557656.db2.gz LOAUIKKTFRDZQD-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001449159858 929558154 /nfs/dbraw/zinc/55/81/54/929558154.db2.gz LOAUIKKTFRDZQD-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001449158519 929558187 /nfs/dbraw/zinc/55/81/87/929558187.db2.gz OEBYJGFULYJICF-HLTSFMKQSA-N 1 1 311.346 -2.760 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1nnc[n-]1 ZINC001449159823 929558543 /nfs/dbraw/zinc/55/85/43/929558543.db2.gz LFXNGWBMEZMLIG-NXEZZACHSA-N 1 1 310.358 -2.013 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001449160635 929559113 /nfs/dbraw/zinc/55/91/13/929559113.db2.gz WXSOCIZZLILSRP-GHMZBOCLSA-N 1 1 309.370 -1.103 20 0 DAADMO CC1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001449161708 929559436 /nfs/dbraw/zinc/55/94/36/929559436.db2.gz JQXMZJOJGPRMHE-LBPRGKRZSA-N 1 1 300.403 -1.388 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCNS(C)(=O)=O)C(=O)C(F)F ZINC001449173230 929560563 /nfs/dbraw/zinc/56/05/63/929560563.db2.gz CUAGGKULFWHDLP-QMMMGPOBSA-N 1 1 317.358 -1.448 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O)C(=O)C(F)F ZINC001449173230 929560569 /nfs/dbraw/zinc/56/05/69/929560569.db2.gz CUAGGKULFWHDLP-QMMMGPOBSA-N 1 1 317.358 -1.448 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001449176755 929560700 /nfs/dbraw/zinc/56/07/00/929560700.db2.gz LXVVAMSKKOLLSW-OLZOCXBDSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001449176755 929560709 /nfs/dbraw/zinc/56/07/09/929560709.db2.gz LXVVAMSKKOLLSW-OLZOCXBDSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186062 929562448 /nfs/dbraw/zinc/56/24/48/929562448.db2.gz HMMSHQWBRMJRQI-NXEZZACHSA-N 1 1 301.343 -1.501 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186062 929562455 /nfs/dbraw/zinc/56/24/55/929562455.db2.gz HMMSHQWBRMJRQI-NXEZZACHSA-N 1 1 301.343 -1.501 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188664 929562704 /nfs/dbraw/zinc/56/27/04/929562704.db2.gz NIOCXEADCJMENN-NXEZZACHSA-N 1 1 312.374 -1.638 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188664 929562710 /nfs/dbraw/zinc/56/27/10/929562710.db2.gz NIOCXEADCJMENN-NXEZZACHSA-N 1 1 312.374 -1.638 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001449191825 929563732 /nfs/dbraw/zinc/56/37/32/929563732.db2.gz QREIWQNNNRFXMR-MWLCHTKSSA-N 1 1 312.374 -1.556 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001449186948 929563939 /nfs/dbraw/zinc/56/39/39/929563939.db2.gz JNHBRYWOFLOSPR-TZMCWYRMSA-N 1 1 315.414 -1.013 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001449186948 929563949 /nfs/dbraw/zinc/56/39/49/929563949.db2.gz JNHBRYWOFLOSPR-TZMCWYRMSA-N 1 1 315.414 -1.013 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001449191693 929564321 /nfs/dbraw/zinc/56/43/21/929564321.db2.gz BSHLAIVKIBCUAN-NWDGAFQWSA-N 1 1 317.386 -2.023 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001449198485 929565423 /nfs/dbraw/zinc/56/54/23/929565423.db2.gz VDENNYUDABQVRB-GFCCVEGCSA-N 1 1 311.386 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001449198485 929565429 /nfs/dbraw/zinc/56/54/29/929565429.db2.gz VDENNYUDABQVRB-GFCCVEGCSA-N 1 1 311.386 -1.540 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200350 929565643 /nfs/dbraw/zinc/56/56/43/929565643.db2.gz ZKKBBMFQRQDRCN-WDEREUQCSA-N 1 1 314.386 -1.766 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200350 929565648 /nfs/dbraw/zinc/56/56/48/929565648.db2.gz ZKKBBMFQRQDRCN-WDEREUQCSA-N 1 1 314.386 -1.766 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001449200135 929565724 /nfs/dbraw/zinc/56/57/24/929565724.db2.gz XSNQZHYJHJGKSW-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n(C)n1 ZINC001449200431 929565811 /nfs/dbraw/zinc/56/58/11/929565811.db2.gz OHFIJRLGWFBWJK-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449196007 929566112 /nfs/dbraw/zinc/56/61/12/929566112.db2.gz UPMNFCIKZCLVBV-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449196007 929566116 /nfs/dbraw/zinc/56/61/16/929566116.db2.gz UPMNFCIKZCLVBV-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001449198198 929566892 /nfs/dbraw/zinc/56/68/92/929566892.db2.gz KLDJBQKVVFRVAY-VHSXEESVSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198937 929567241 /nfs/dbraw/zinc/56/72/41/929567241.db2.gz XIEPMOKZGVULFW-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198937 929567253 /nfs/dbraw/zinc/56/72/53/929567253.db2.gz XIEPMOKZGVULFW-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200604 929567429 /nfs/dbraw/zinc/56/74/29/929567429.db2.gz ZXAGOTRNEVXFMH-GXSJLCMTSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200604 929567438 /nfs/dbraw/zinc/56/74/38/929567438.db2.gz ZXAGOTRNEVXFMH-GXSJLCMTSA-N 1 1 302.375 -1.992 20 0 DAADMO CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202323 929568116 /nfs/dbraw/zinc/56/81/16/929568116.db2.gz RSFYJTIKZNGCTN-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202323 929568127 /nfs/dbraw/zinc/56/81/27/929568127.db2.gz RSFYJTIKZNGCTN-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnc[nH]c1=O ZINC001449211313 929568492 /nfs/dbraw/zinc/56/84/92/929568492.db2.gz GSRJGEDYKQCJSV-MWLCHTKSSA-N 1 1 323.353 -1.565 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)on1 ZINC001449203913 929569213 /nfs/dbraw/zinc/56/92/13/929569213.db2.gz SCBRFOAIBSHQPC-DTWKUNHWSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)on1 ZINC001449203913 929569222 /nfs/dbraw/zinc/56/92/22/929569222.db2.gz SCBRFOAIBSHQPC-DTWKUNHWSA-N 1 1 314.342 -1.078 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001449209111 929569647 /nfs/dbraw/zinc/56/96/47/929569647.db2.gz FMFIRGLSTWZUBJ-FZMZJTMJSA-N 1 1 301.387 -1.354 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001449200664 929569707 /nfs/dbraw/zinc/56/97/07/929569707.db2.gz PKOZFWFCHUVHED-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001449200664 929569714 /nfs/dbraw/zinc/56/97/14/929569714.db2.gz PKOZFWFCHUVHED-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001449219808 929570383 /nfs/dbraw/zinc/57/03/83/929570383.db2.gz VMYGIOXUZCKOQY-HZMBPMFUSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001449219808 929570387 /nfs/dbraw/zinc/57/03/87/929570387.db2.gz VMYGIOXUZCKOQY-HZMBPMFUSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C(=O)C1CC1 ZINC001449200955 929570720 /nfs/dbraw/zinc/57/07/20/929570720.db2.gz PZLQPDZCWBBSQT-GFCCVEGCSA-N 1 1 301.387 -1.402 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238347 929571338 /nfs/dbraw/zinc/57/13/38/929571338.db2.gz WVEQAFIOSUSGAT-UONOGXRCSA-N 1 1 317.430 -1.159 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449228505 929571414 /nfs/dbraw/zinc/57/14/14/929571414.db2.gz ABGLWTDFZPDWBB-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001449236816 929571432 /nfs/dbraw/zinc/57/14/32/929571432.db2.gz BYIZCXAGNNBPGD-VIFPVBQESA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001449236816 929571438 /nfs/dbraw/zinc/57/14/38/929571438.db2.gz BYIZCXAGNNBPGD-VIFPVBQESA-N 1 1 311.342 -2.370 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001449232093 929572152 /nfs/dbraw/zinc/57/21/52/929572152.db2.gz NEOBJMPACKBKJO-VXGBXAGGSA-N 1 1 316.402 -1.602 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001449232093 929572160 /nfs/dbraw/zinc/57/21/60/929572160.db2.gz NEOBJMPACKBKJO-VXGBXAGGSA-N 1 1 316.402 -1.602 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449224644 929572304 /nfs/dbraw/zinc/57/23/04/929572304.db2.gz KPKPXGTTYBKYOQ-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449224644 929572309 /nfs/dbraw/zinc/57/23/09/929572309.db2.gz KPKPXGTTYBKYOQ-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001449238525 929572406 /nfs/dbraw/zinc/57/24/06/929572406.db2.gz MEOSNOCACUASQP-JTQLQIEISA-N 1 1 300.359 -1.301 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001449234435 929572457 /nfs/dbraw/zinc/57/24/57/929572457.db2.gz PMBOPPHDQNZBOJ-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001449236807 929572608 /nfs/dbraw/zinc/57/26/08/929572608.db2.gz BYIZCXAGNNBPGD-SECBINFHSA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001449236807 929572616 /nfs/dbraw/zinc/57/26/16/929572616.db2.gz BYIZCXAGNNBPGD-SECBINFHSA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001449232191 929572634 /nfs/dbraw/zinc/57/26/34/929572634.db2.gz HSIQUWIVBZCASC-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001449232191 929572639 /nfs/dbraw/zinc/57/26/39/929572639.db2.gz HSIQUWIVBZCASC-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccoc1CC(N)=O ZINC001449221510 929572761 /nfs/dbraw/zinc/57/27/61/929572761.db2.gz XMKDPPUDYOUGOK-SNVBAGLBSA-N 1 1 313.354 -1.336 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001449220636 929572860 /nfs/dbraw/zinc/57/28/60/929572860.db2.gz XESDOBZOAXGHKY-NEPJUHHUSA-N 1 1 316.402 -2.450 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001449234425 929572983 /nfs/dbraw/zinc/57/29/83/929572983.db2.gz PMBOPPHDQNZBOJ-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221580 929573206 /nfs/dbraw/zinc/57/32/06/929573206.db2.gz BOGSWZTYTXCLMW-CMPLNLGQSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221580 929573210 /nfs/dbraw/zinc/57/32/10/929573210.db2.gz BOGSWZTYTXCLMW-CMPLNLGQSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001449232187 929573466 /nfs/dbraw/zinc/57/34/66/929573466.db2.gz HSIQUWIVBZCASC-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCCS1(=O)=O ZINC001449232187 929573475 /nfs/dbraw/zinc/57/34/75/929573475.db2.gz HSIQUWIVBZCASC-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001449226367 929573592 /nfs/dbraw/zinc/57/35/92/929573592.db2.gz LFTPWZKAQBNSMU-GFCCVEGCSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001449226367 929573597 /nfs/dbraw/zinc/57/35/97/929573597.db2.gz LFTPWZKAQBNSMU-GFCCVEGCSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221596 929574000 /nfs/dbraw/zinc/57/40/00/929574000.db2.gz BOGSWZTYTXCLMW-PWSUYJOCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221596 929574013 /nfs/dbraw/zinc/57/40/13/929574013.db2.gz BOGSWZTYTXCLMW-PWSUYJOCSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001449243107 929575874 /nfs/dbraw/zinc/57/58/74/929575874.db2.gz MQTLLDKPLRMDOD-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001449243095 929576554 /nfs/dbraw/zinc/57/65/54/929576554.db2.gz MQTLLDKPLRMDOD-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CC(C)N(CC[N@H+](C)CC(=O)N(C)C)C(=O)Cn1ncnn1 ZINC001449263136 929578104 /nfs/dbraw/zinc/57/81/04/929578104.db2.gz SHIOSSIUKQPFLZ-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CC(C)N(CC[N@@H+](C)CC(=O)N(C)C)C(=O)Cn1ncnn1 ZINC001449263136 929578115 /nfs/dbraw/zinc/57/81/15/929578115.db2.gz SHIOSSIUKQPFLZ-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1cnn(C)c1)[C@H]1CCNC1=O ZINC001449325128 929578552 /nfs/dbraw/zinc/57/85/52/929578552.db2.gz LEBCANWYHRFRRU-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1cnn(C)c1)[C@H]1CCNC1=O ZINC001449325128 929578562 /nfs/dbraw/zinc/57/85/62/929578562.db2.gz LEBCANWYHRFRRU-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](CCOC)[C@@H]2CCNC2=O)n1 ZINC001449325947 929579541 /nfs/dbraw/zinc/57/95/41/929579541.db2.gz GGUDNFZSPBCAGL-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](CCOC)[C@@H]2CCNC2=O)n1 ZINC001449325947 929579549 /nfs/dbraw/zinc/57/95/49/929579549.db2.gz GGUDNFZSPBCAGL-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@@H](CO)C(N)=O)cn1 ZINC001449340010 929580412 /nfs/dbraw/zinc/58/04/12/929580412.db2.gz GWFCRPYIWSKBIB-WOPDTQHZSA-N 1 1 309.370 -1.582 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001449335673 929580512 /nfs/dbraw/zinc/58/05/12/929580512.db2.gz CUZHPEXOORINFZ-LBPRGKRZSA-N 1 1 316.402 -1.166 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnon1 ZINC001449346358 929583367 /nfs/dbraw/zinc/58/33/67/929583367.db2.gz XSTFFXOFQIJNGR-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnon1 ZINC001449346358 929583374 /nfs/dbraw/zinc/58/33/74/929583374.db2.gz XSTFFXOFQIJNGR-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)[C@@H]1CNC(=O)N1 ZINC001449529543 929588143 /nfs/dbraw/zinc/58/81/43/929588143.db2.gz UENJMLXWVFWFQH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CNC(N)=O ZINC001449586656 929590557 /nfs/dbraw/zinc/59/05/57/929590557.db2.gz WFHNAWYJGBNUCI-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001449600544 929591407 /nfs/dbraw/zinc/59/14/07/929591407.db2.gz VIKGYCKXDAPWJG-NXEZZACHSA-N 1 1 320.357 -1.112 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001449857279 929599460 /nfs/dbraw/zinc/59/94/60/929599460.db2.gz HTGBVQVFUUYYEP-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001449857279 929599472 /nfs/dbraw/zinc/59/94/72/929599472.db2.gz HTGBVQVFUUYYEP-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001450035140 929602770 /nfs/dbraw/zinc/60/27/70/929602770.db2.gz RLPSBIIHCNVWDT-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001450099114 929605671 /nfs/dbraw/zinc/60/56/71/929605671.db2.gz OWARSKMNXDJUJI-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)N1CCN(CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001450089038 929606118 /nfs/dbraw/zinc/60/61/18/929606118.db2.gz PBCGFPMKSOMCTI-CQSZACIVSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(=O)N1CCN(CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001450089038 929606124 /nfs/dbraw/zinc/60/61/24/929606124.db2.gz PBCGFPMKSOMCTI-CQSZACIVSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001450103939 929606632 /nfs/dbraw/zinc/60/66/32/929606632.db2.gz DBJUYFPTNLJICA-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001450103939 929606639 /nfs/dbraw/zinc/60/66/39/929606639.db2.gz DBJUYFPTNLJICA-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001450174467 929611529 /nfs/dbraw/zinc/61/15/29/929611529.db2.gz WPELRTDOTCEWOO-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3cnn[nH]3)C2)C1 ZINC001450174467 929611536 /nfs/dbraw/zinc/61/15/36/929611536.db2.gz WPELRTDOTCEWOO-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3cnn[nH]3)C2)C1 ZINC001450174467 929611549 /nfs/dbraw/zinc/61/15/49/929611549.db2.gz WPELRTDOTCEWOO-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001450307761 929618486 /nfs/dbraw/zinc/61/84/86/929618486.db2.gz GCKAXYDKMZTVRB-GFCCVEGCSA-N 1 1 312.370 -1.878 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001450307761 929618500 /nfs/dbraw/zinc/61/85/00/929618500.db2.gz GCKAXYDKMZTVRB-GFCCVEGCSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001450314367 929619798 /nfs/dbraw/zinc/61/97/98/929619798.db2.gz DCRZYOKAHOFXKM-VIFPVBQESA-N 1 1 311.386 -1.146 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001450352872 929624803 /nfs/dbraw/zinc/62/48/03/929624803.db2.gz RAJMMVRFJQTZTF-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001450397768 929627807 /nfs/dbraw/zinc/62/78/07/929627807.db2.gz FUROJLSWCMGQTR-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001450864815 929629517 /nfs/dbraw/zinc/62/95/17/929629517.db2.gz PBFQEBKINNALER-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001513420931 929630625 /nfs/dbraw/zinc/63/06/25/929630625.db2.gz BVJRCTZWWQZGAA-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001513480079 929635976 /nfs/dbraw/zinc/63/59/76/929635976.db2.gz FVSQLOGDWYBGIA-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001521464252 929660854 /nfs/dbraw/zinc/66/08/54/929660854.db2.gz SZPCHOCOCOTKID-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001521464252 929660858 /nfs/dbraw/zinc/66/08/58/929660858.db2.gz SZPCHOCOCOTKID-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001521464252 929660864 /nfs/dbraw/zinc/66/08/64/929660864.db2.gz SZPCHOCOCOTKID-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001521490515 929661526 /nfs/dbraw/zinc/66/15/26/929661526.db2.gz ZZQNMVGYMNNXFQ-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO COCCOCC[N@H+](C)CCC(=O)N1CCNC[C@@H]1CO ZINC001522419572 929667307 /nfs/dbraw/zinc/66/73/07/929667307.db2.gz YTQSADZXHRXYRO-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CCNC[C@@H]1CO ZINC001522419572 929667313 /nfs/dbraw/zinc/66/73/13/929667313.db2.gz YTQSADZXHRXYRO-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO O=C(CCn1cncn1)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001522518820 929674002 /nfs/dbraw/zinc/67/40/02/929674002.db2.gz JPYRWMPVXVGANC-UHFFFAOYSA-N 1 1 324.385 -1.377 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522528516 929676134 /nfs/dbraw/zinc/67/61/34/929676134.db2.gz IMOFGBHVQYWWBW-VIFPVBQESA-N 1 1 302.331 -2.095 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522528516 929676145 /nfs/dbraw/zinc/67/61/45/929676145.db2.gz IMOFGBHVQYWWBW-VIFPVBQESA-N 1 1 302.331 -2.095 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)n(C)c1=O ZINC001522560217 929679551 /nfs/dbraw/zinc/67/95/51/929679551.db2.gz YDYFZIKZIXYDCM-JTQLQIEISA-N 1 1 309.370 -1.336 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001522558222 929679787 /nfs/dbraw/zinc/67/97/87/929679787.db2.gz QITZMQRQSNWTMM-JTQLQIEISA-N 1 1 323.353 -1.725 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001522555248 929680018 /nfs/dbraw/zinc/68/00/18/929680018.db2.gz UWCWOXGGGMBTLM-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001522555248 929680023 /nfs/dbraw/zinc/68/00/23/929680023.db2.gz UWCWOXGGGMBTLM-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO CCn1nc(C)c(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001522571886 929681242 /nfs/dbraw/zinc/68/12/42/929681242.db2.gz VUOMBTXJJLVTJQ-NSHDSACASA-N 1 1 324.385 -1.217 20 0 DAADMO CCn1nc(C)c(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001522571886 929681247 /nfs/dbraw/zinc/68/12/47/929681247.db2.gz VUOMBTXJJLVTJQ-NSHDSACASA-N 1 1 324.385 -1.217 20 0 DAADMO CCn1nc(C)c(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001522571882 929682882 /nfs/dbraw/zinc/68/28/82/929682882.db2.gz VUOMBTXJJLVTJQ-LLVKDONJSA-N 1 1 324.385 -1.217 20 0 DAADMO CCn1nc(C)c(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001522571882 929682889 /nfs/dbraw/zinc/68/28/89/929682889.db2.gz VUOMBTXJJLVTJQ-LLVKDONJSA-N 1 1 324.385 -1.217 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001522658047 929689723 /nfs/dbraw/zinc/68/97/23/929689723.db2.gz VPFTUPAGVQPFLN-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2cccnc2C(N)=O)C1 ZINC001522651465 929690252 /nfs/dbraw/zinc/69/02/52/929690252.db2.gz BQYCRFYJOXIBPF-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001522674988 929691087 /nfs/dbraw/zinc/69/10/87/929691087.db2.gz LSQKWQMKRAEJRN-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001522674988 929691091 /nfs/dbraw/zinc/69/10/91/929691091.db2.gz LSQKWQMKRAEJRN-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)C1CS(=O)(=O)C1 ZINC001522660720 929691467 /nfs/dbraw/zinc/69/14/67/929691467.db2.gz QEYZYEQGRPMRQZ-UHFFFAOYSA-N 1 1 305.400 -1.395 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cncn2C)C1 ZINC001522676070 929692146 /nfs/dbraw/zinc/69/21/46/929692146.db2.gz VPCGWBVZXCFOQT-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cncn2C)C1 ZINC001522676070 929692153 /nfs/dbraw/zinc/69/21/53/929692153.db2.gz VPCGWBVZXCFOQT-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)C[N@@H+](C)C2CCC2)NC1=O ZINC001522708088 929696114 /nfs/dbraw/zinc/69/61/14/929696114.db2.gz CNCIGIFISRSRJF-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001522742908 929698043 /nfs/dbraw/zinc/69/80/43/929698043.db2.gz RQHGPWJSJGDGIQ-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001522754410 929699801 /nfs/dbraw/zinc/69/98/01/929699801.db2.gz ZJFSKBXQEMVDDU-LLVKDONJSA-N 1 1 322.369 -1.114 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001522781809 929701195 /nfs/dbraw/zinc/70/11/95/929701195.db2.gz REPBBOUVRXLBSB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@H+]2C)NC1=O ZINC001522785348 929702230 /nfs/dbraw/zinc/70/22/30/929702230.db2.gz UOHYMAFGAFPQHJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001522870824 929707649 /nfs/dbraw/zinc/70/76/49/929707649.db2.gz OGWKNOWXBGADAM-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001522870824 929707659 /nfs/dbraw/zinc/70/76/59/929707659.db2.gz OGWKNOWXBGADAM-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001523024575 929716802 /nfs/dbraw/zinc/71/68/02/929716802.db2.gz ZEXMMFBJAVTKLD-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCN(C)C(=O)CNC(N)=O ZINC001523413311 929727840 /nfs/dbraw/zinc/72/78/40/929727840.db2.gz KUACNZUMEPYBHO-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO COCC(=O)NCCC[NH+]1CCN(C(=O)Cn2cncn2)CC1 ZINC001524041546 929734337 /nfs/dbraw/zinc/73/43/37/929734337.db2.gz YPZWUONXJLRDRC-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001524052392 929734627 /nfs/dbraw/zinc/73/46/27/929734627.db2.gz KADXLUGYPALVGB-UHFFFAOYSA-N 1 1 322.369 -1.912 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001524696723 929747205 /nfs/dbraw/zinc/74/72/05/929747205.db2.gz NXOWIMZQGODQOR-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001525045483 929751474 /nfs/dbraw/zinc/75/14/74/929751474.db2.gz QLAIAKBKCGRVSU-XYPYZODXSA-N 1 1 309.374 -1.223 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001525478638 929755773 /nfs/dbraw/zinc/75/57/73/929755773.db2.gz UAEWSBUWEAZKDK-PHIMTYICSA-N 1 1 322.369 -1.116 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001526186237 929758698 /nfs/dbraw/zinc/75/86/98/929758698.db2.gz PKINXMVHVZESSA-DCQANWLSSA-N 1 1 324.381 -1.133 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)C1 ZINC001527163329 929774858 /nfs/dbraw/zinc/77/48/58/929774858.db2.gz FQASYFBDBRKEEW-LLVKDONJSA-N 1 1 322.369 -1.175 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001527282449 929778222 /nfs/dbraw/zinc/77/82/22/929778222.db2.gz LPWDHRPDDCBHEQ-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCn1nncc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528004798 929791345 /nfs/dbraw/zinc/79/13/45/929791345.db2.gz VTMXONRGJVBMEK-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1nncc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528004798 929791351 /nfs/dbraw/zinc/79/13/51/929791351.db2.gz VTMXONRGJVBMEK-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528004265 929791397 /nfs/dbraw/zinc/79/13/97/929791397.db2.gz MBCNKLNXJKGNHX-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528004265 929791407 /nfs/dbraw/zinc/79/14/07/929791407.db2.gz MBCNKLNXJKGNHX-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CS(C)(=O)=O ZINC001528004107 929791619 /nfs/dbraw/zinc/79/16/19/929791619.db2.gz JFMRUWBPIAPMDR-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CS(C)(=O)=O ZINC001528004107 929791631 /nfs/dbraw/zinc/79/16/31/929791631.db2.gz JFMRUWBPIAPMDR-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CCNC(N)=O)C1 ZINC001528117047 929795255 /nfs/dbraw/zinc/79/52/55/929795255.db2.gz MIKRJPHCRCCACJ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001528372010 929803085 /nfs/dbraw/zinc/80/30/85/929803085.db2.gz JEEALQYCMZJTAW-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001528364109 929803340 /nfs/dbraw/zinc/80/33/40/929803340.db2.gz UPLZHRSFXHZDAQ-UEKVPHQBSA-N 1 1 321.381 -1.425 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)CCn1cnnn1 ZINC001528564834 929810252 /nfs/dbraw/zinc/81/02/52/929810252.db2.gz SDXDIFGZSCFITE-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CN(CCNC(=O)CCn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528564816 929811056 /nfs/dbraw/zinc/81/10/56/929811056.db2.gz ROUZWXPHGAWRFE-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528795149 929820298 /nfs/dbraw/zinc/82/02/98/929820298.db2.gz ZMEUZBCYAOICEL-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528795149 929820306 /nfs/dbraw/zinc/82/03/06/929820306.db2.gz ZMEUZBCYAOICEL-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)CCN3C(=O)CCC3=O)CC2)C1 ZINC001528969844 929822080 /nfs/dbraw/zinc/82/20/80/929822080.db2.gz QFGPWFJTMWSLSL-UHFFFAOYSA-N 1 1 308.382 -1.016 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CS(C)(=O)=O)C1 ZINC001530365854 929841135 /nfs/dbraw/zinc/84/11/35/929841135.db2.gz CHNMBMMMWDRFRP-UHFFFAOYSA-N 1 1 314.367 -1.437 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001530389346 929842391 /nfs/dbraw/zinc/84/23/91/929842391.db2.gz MKIMXIAIDCFBLJ-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCS(C)(=O)=O)C1 ZINC001530378313 929842618 /nfs/dbraw/zinc/84/26/18/929842618.db2.gz OWHWBBCJRAASGW-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCCC(N)=O)C2)C1 ZINC001530389940 929844525 /nfs/dbraw/zinc/84/45/25/929844525.db2.gz SGJMGVZFCSOCGS-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCCC(N)=O)C2)C1 ZINC001530389940 929844539 /nfs/dbraw/zinc/84/45/39/929844539.db2.gz SGJMGVZFCSOCGS-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)CC[N@H+]1C ZINC001530409094 929845009 /nfs/dbraw/zinc/84/50/09/929845009.db2.gz UVYKSKKUYAXMEK-MWLCHTKSSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001530465690 929849791 /nfs/dbraw/zinc/84/97/91/929849791.db2.gz BHLULVZPIUZHOH-SECBINFHSA-N 1 1 318.341 -1.398 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001530521301 929853808 /nfs/dbraw/zinc/85/38/08/929853808.db2.gz GZHSADOHUKSVPF-UHFFFAOYSA-N 1 1 324.385 -1.751 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001530775753 929869378 /nfs/dbraw/zinc/86/93/78/929869378.db2.gz BSUJUFOURCGQFF-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN(C(=O)c2nc[nH]n2)C1 ZINC001530824439 929870719 /nfs/dbraw/zinc/87/07/19/929870719.db2.gz YNVZNMCZLZGTRA-UHFFFAOYSA-N 1 1 322.369 -1.285 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001530879316 929872630 /nfs/dbraw/zinc/87/26/30/929872630.db2.gz ZHZUSKGDQFNVEQ-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001530953512 929875589 /nfs/dbraw/zinc/87/55/89/929875589.db2.gz WZHKINRSSRTOJW-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001531049687 929877399 /nfs/dbraw/zinc/87/73/99/929877399.db2.gz MPJIEWLJOYJQKF-NWDGAFQWSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001531049687 929877407 /nfs/dbraw/zinc/87/74/07/929877407.db2.gz MPJIEWLJOYJQKF-NWDGAFQWSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531069855 929878715 /nfs/dbraw/zinc/87/87/15/929878715.db2.gz KXJSRRZBWSJGRH-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531069857 929878981 /nfs/dbraw/zinc/87/89/81/929878981.db2.gz KXJSRRZBWSJGRH-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231002 929880457 /nfs/dbraw/zinc/88/04/57/929880457.db2.gz IKAMFQCWZAFUMJ-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231002 929880474 /nfs/dbraw/zinc/88/04/74/929880474.db2.gz IKAMFQCWZAFUMJ-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001531320648 929884628 /nfs/dbraw/zinc/88/46/28/929884628.db2.gz MEVWAUVWMRJHDZ-MNOVXSKESA-N 1 1 322.369 -1.116 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1C ZINC001531441839 929886009 /nfs/dbraw/zinc/88/60/09/929886009.db2.gz WELPVQFIBAOPSB-QWRGUYRKSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)CNC(=O)CC(N)=O ZINC001532158867 929892706 /nfs/dbraw/zinc/89/27/06/929892706.db2.gz GGIBYJKGZQHGHS-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CNC(=O)Cn1ncnn1 ZINC001532249018 929893665 /nfs/dbraw/zinc/89/36/65/929893665.db2.gz UTWWOJGDHPZBPQ-NWDGAFQWSA-N 1 1 323.401 -1.117 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001532236438 929893882 /nfs/dbraw/zinc/89/38/82/929893882.db2.gz MPNWWVODAMPMFD-GHMZBOCLSA-N 1 1 313.402 -1.264 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001532236441 929893979 /nfs/dbraw/zinc/89/39/79/929893979.db2.gz MPNWWVODAMPMFD-WDEREUQCSA-N 1 1 313.402 -1.264 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147756 929907996 /nfs/dbraw/zinc/90/79/96/929907996.db2.gz IEQLTHNLECKOPQ-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147756 929908004 /nfs/dbraw/zinc/90/80/04/929908004.db2.gz IEQLTHNLECKOPQ-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001533156260 929909560 /nfs/dbraw/zinc/90/95/60/929909560.db2.gz FFZYPFFWIIJRPH-GFCCVEGCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC(=O)COC)CC[N@H+]1C ZINC001533150664 929909630 /nfs/dbraw/zinc/90/96/30/929909630.db2.gz CTUZDZJYHNNODT-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001533159210 929910499 /nfs/dbraw/zinc/91/04/99/929910499.db2.gz YAAIYRCSMDDADX-GHMZBOCLSA-N 1 1 300.359 -2.333 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001533159223 929910585 /nfs/dbraw/zinc/91/05/85/929910585.db2.gz YAAIYRCSMDDADX-WDEREUQCSA-N 1 1 300.359 -2.333 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001533174350 929915666 /nfs/dbraw/zinc/91/56/66/929915666.db2.gz FKKRWGQAMYVMGL-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001533203379 929922922 /nfs/dbraw/zinc/92/29/22/929922922.db2.gz QXFYIQHYTJJHJA-STQMWFEESA-N 1 1 323.397 -1.492 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533205789 929924923 /nfs/dbraw/zinc/92/49/23/929924923.db2.gz UEMOEBWQEGHABO-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1nccn1 ZINC001533207964 929925091 /nfs/dbraw/zinc/92/50/91/929925091.db2.gz MRQLXMZEWJLMLI-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217514 929928290 /nfs/dbraw/zinc/92/82/90/929928290.db2.gz CFFQZGXFQNNUHQ-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217514 929928296 /nfs/dbraw/zinc/92/82/96/929928296.db2.gz CFFQZGXFQNNUHQ-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220276 929928310 /nfs/dbraw/zinc/92/83/10/929928310.db2.gz QYYBQBIYMLXRSR-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220276 929928319 /nfs/dbraw/zinc/92/83/19/929928319.db2.gz QYYBQBIYMLXRSR-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2ccnc2)C1 ZINC001533265351 929936919 /nfs/dbraw/zinc/93/69/19/929936919.db2.gz BWHBZCKXKVEBHX-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001533265604 929937035 /nfs/dbraw/zinc/93/70/35/929937035.db2.gz DXQLKCMLRQZUBT-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001533289854 929940136 /nfs/dbraw/zinc/94/01/36/929940136.db2.gz QAHAMRPFZDFBBI-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289854 929940146 /nfs/dbraw/zinc/94/01/46/929940146.db2.gz QAHAMRPFZDFBBI-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289854 929940155 /nfs/dbraw/zinc/94/01/55/929940155.db2.gz QAHAMRPFZDFBBI-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289854 929940166 /nfs/dbraw/zinc/94/01/66/929940166.db2.gz QAHAMRPFZDFBBI-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289854 929940172 /nfs/dbraw/zinc/94/01/72/929940172.db2.gz QAHAMRPFZDFBBI-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001533289855 929940301 /nfs/dbraw/zinc/94/03/01/929940301.db2.gz QAHAMRPFZDFBBI-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289855 929940308 /nfs/dbraw/zinc/94/03/08/929940308.db2.gz QAHAMRPFZDFBBI-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289855 929940320 /nfs/dbraw/zinc/94/03/20/929940320.db2.gz QAHAMRPFZDFBBI-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289855 929940328 /nfs/dbraw/zinc/94/03/28/929940328.db2.gz QAHAMRPFZDFBBI-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289855 929940338 /nfs/dbraw/zinc/94/03/38/929940338.db2.gz QAHAMRPFZDFBBI-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001533289853 929940895 /nfs/dbraw/zinc/94/08/95/929940895.db2.gz QAHAMRPFZDFBBI-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289853 929940904 /nfs/dbraw/zinc/94/09/04/929940904.db2.gz QAHAMRPFZDFBBI-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289853 929940912 /nfs/dbraw/zinc/94/09/12/929940912.db2.gz QAHAMRPFZDFBBI-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289853 929940918 /nfs/dbraw/zinc/94/09/18/929940918.db2.gz QAHAMRPFZDFBBI-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289853 929940927 /nfs/dbraw/zinc/94/09/27/929940927.db2.gz QAHAMRPFZDFBBI-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNC(=O)Cn2cnnn2)C1 ZINC001533370227 929946285 /nfs/dbraw/zinc/94/62/85/929946285.db2.gz VLIFMHIBFDUCGX-KXMPLOMGSA-N 1 1 307.358 -1.587 20 0 DAADMO Cn1ncc(C(=O)NC/C=C/CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001533433001 929948325 /nfs/dbraw/zinc/94/83/25/929948325.db2.gz NIODXUXONOUFRN-AAOUONPWSA-N 1 1 322.369 -1.452 20 0 DAADMO Cn1ncc(C(=O)NC/C=C/CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001533433001 929948334 /nfs/dbraw/zinc/94/83/34/929948334.db2.gz NIODXUXONOUFRN-AAOUONPWSA-N 1 1 322.369 -1.452 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433262 929949043 /nfs/dbraw/zinc/94/90/43/929949043.db2.gz ODVVFHBYHNZLFO-QUCGXOGASA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433262 929949049 /nfs/dbraw/zinc/94/90/49/929949049.db2.gz ODVVFHBYHNZLFO-QUCGXOGASA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433263 929949086 /nfs/dbraw/zinc/94/90/86/929949086.db2.gz ODVVFHBYHNZLFO-VUDBWIFFSA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433263 929949094 /nfs/dbraw/zinc/94/90/94/929949094.db2.gz ODVVFHBYHNZLFO-VUDBWIFFSA-N 1 1 324.381 -1.629 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)Cn2ncnn2)C1 ZINC001533508806 929949789 /nfs/dbraw/zinc/94/97/89/929949789.db2.gz JDEUCIAOGMJDCA-DLGQBQFBSA-N 1 1 321.385 -1.197 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1 ZINC001533585875 929953972 /nfs/dbraw/zinc/95/39/72/929953972.db2.gz KDXUKVIMLIHLBF-MMJBKMRYSA-N 1 1 309.370 -1.449 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)C2 ZINC001533896380 929958095 /nfs/dbraw/zinc/95/80/95/929958095.db2.gz AOKFXBMRGNRWTO-SCZZXKLOSA-N 1 1 307.354 -1.140 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001534141300 929961779 /nfs/dbraw/zinc/96/17/79/929961779.db2.gz JAYUFGZZPBFCAR-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001534386590 929966301 /nfs/dbraw/zinc/96/63/01/929966301.db2.gz UDLGTUDEGYDDDP-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001534670457 929969030 /nfs/dbraw/zinc/96/90/30/929969030.db2.gz QAVPOAFEGACUMF-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001534669285 929969554 /nfs/dbraw/zinc/96/95/54/929969554.db2.gz FZUFGJAMBCHHPG-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001534708340 929970503 /nfs/dbraw/zinc/97/05/03/929970503.db2.gz CIDTUHAPJRGRFS-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001534819249 929976339 /nfs/dbraw/zinc/97/63/39/929976339.db2.gz SVLLRDHJRMADSZ-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001534855302 929977322 /nfs/dbraw/zinc/97/73/22/929977322.db2.gz CEKAZTOVMYLSEO-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]1CNC(=O)C(N)=O)CC2 ZINC001535007879 929983565 /nfs/dbraw/zinc/98/35/65/929983565.db2.gz JIQXHZHJAYCCIM-JQWIXIFHSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064430 929985243 /nfs/dbraw/zinc/98/52/43/929985243.db2.gz MCSPCTXMCCTFCT-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064430 929985253 /nfs/dbraw/zinc/98/52/53/929985253.db2.gz MCSPCTXMCCTFCT-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001535112702 929987584 /nfs/dbraw/zinc/98/75/84/929987584.db2.gz ZPNKTOYDHATQBA-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3cccn3)CC2)C1 ZINC001535186754 929988601 /nfs/dbraw/zinc/98/86/01/929988601.db2.gz JAZHYMZZLTZWOF-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3cccn3)CC2)C1 ZINC001535186754 929988612 /nfs/dbraw/zinc/98/86/12/929988612.db2.gz JAZHYMZZLTZWOF-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO CC(=O)NCC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001535186265 929988946 /nfs/dbraw/zinc/98/89/46/929988946.db2.gz DKDXTPPTPKTPMM-LLVKDONJSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001535186265 929988955 /nfs/dbraw/zinc/98/89/55/929988955.db2.gz DKDXTPPTPKTPMM-LLVKDONJSA-N 1 1 312.370 -1.782 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3cccn3)CC2)C1 ZINC001535186749 929989062 /nfs/dbraw/zinc/98/90/62/929989062.db2.gz JAZHYMZZLTZWOF-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3cccn3)CC2)C1 ZINC001535186749 929989072 /nfs/dbraw/zinc/98/90/72/929989072.db2.gz JAZHYMZZLTZWOF-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO CNC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001535527900 929991943 /nfs/dbraw/zinc/99/19/43/929991943.db2.gz ACYFMZRECSYHTA-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)Cn3cnnn3)CC2)C1 ZINC001535633663 929993600 /nfs/dbraw/zinc/99/36/00/929993600.db2.gz DVVAAAUUVRQUMD-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001535989103 929998290 /nfs/dbraw/zinc/99/82/90/929998290.db2.gz CSRZUDPLFNLCOA-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001535990590 929998349 /nfs/dbraw/zinc/99/83/49/929998349.db2.gz PSMRWCLHWPBLBR-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001536461660 930004954 /nfs/dbraw/zinc/00/49/54/930004954.db2.gz JVBATNNSFDITRP-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CC[NH+](CCCNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC1 ZINC001540430689 930021917 /nfs/dbraw/zinc/02/19/17/930021917.db2.gz VBRURWQJUCFTDF-UHFFFAOYSA-N 1 1 310.358 -1.163 20 0 DAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1(O)COC1 ZINC001540699906 930024756 /nfs/dbraw/zinc/02/47/56/930024756.db2.gz XCJGIKHPSNCAAH-UHFFFAOYSA-N 1 1 321.381 -1.134 20 0 DAADMO O=C(C[C@H]1CNCCS1(=O)=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001548556484 930031641 /nfs/dbraw/zinc/03/16/41/930031641.db2.gz LNEZHKNWQQDTNR-IUCAKERBSA-N 1 1 311.354 -1.171 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001548646954 930033407 /nfs/dbraw/zinc/03/34/07/930033407.db2.gz LNCFASCZRZICQI-KBPBESRZSA-N 1 1 323.441 -1.345 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625848 930034014 /nfs/dbraw/zinc/03/40/14/930034014.db2.gz PUNSICBRVKZHFG-ZFWWWQNUSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001548619449 930034049 /nfs/dbraw/zinc/03/40/49/930034049.db2.gz GJXCDHWVSJQXFW-VXGBXAGGSA-N 1 1 316.427 -1.522 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001548639121 930034144 /nfs/dbraw/zinc/03/41/44/930034144.db2.gz VHYWGOGHJAIDNQ-QWRGUYRKSA-N 1 1 317.415 -2.278 20 0 DAADMO CNC(=O)CN1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625639 930034725 /nfs/dbraw/zinc/03/47/25/930034725.db2.gz VSGQIWHKYXYAQE-GXTWGEPZSA-N 1 1 323.441 -1.299 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548634735 930035240 /nfs/dbraw/zinc/03/52/40/930035240.db2.gz IOIRUGSCRQTMDJ-RYUDHWBXSA-N 1 1 318.443 -1.181 20 0 DAADMO CNC(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548625643 930035514 /nfs/dbraw/zinc/03/55/14/930035514.db2.gz VSGQIWHKYXYAQE-OCCSQVGLSA-N 1 1 323.441 -1.299 20 0 DAADMO CNC(=O)[C@H](C)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001548656606 930036610 /nfs/dbraw/zinc/03/66/10/930036610.db2.gz NEOMXZVUJFINGC-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)[C@H](C)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001548656606 930036620 /nfs/dbraw/zinc/03/66/20/930036620.db2.gz NEOMXZVUJFINGC-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@]1(O)CCOC1 ZINC001548656534 930037034 /nfs/dbraw/zinc/03/70/34/930037034.db2.gz LZQMRYGZZWJVQM-CYBMUJFWSA-N 1 1 315.370 -1.114 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@]1(O)CCOC1 ZINC001548656534 930037038 /nfs/dbraw/zinc/03/70/38/930037038.db2.gz LZQMRYGZZWJVQM-CYBMUJFWSA-N 1 1 315.370 -1.114 20 0 DAADMO CN1C[C@@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1=O ZINC001548656638 930037483 /nfs/dbraw/zinc/03/74/83/930037483.db2.gz NYQAURFKBNRONI-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO CN1C[C@@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1=O ZINC001548656638 930037494 /nfs/dbraw/zinc/03/74/94/930037494.db2.gz NYQAURFKBNRONI-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(CC(N)=O)CCOCC1 ZINC001548663337 930038410 /nfs/dbraw/zinc/03/84/10/930038410.db2.gz GDMNNWOSXUQELN-NEPJUHHUSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001548699612 930040135 /nfs/dbraw/zinc/04/01/35/930040135.db2.gz GFXKYFQHEVXHAO-MCIONIFRSA-N 1 1 312.414 -1.816 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001548725102 930040573 /nfs/dbraw/zinc/04/05/73/930040573.db2.gz NNFCOCPZUDGXRE-WOPDTQHZSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H](CO)CN1CCOCC1 ZINC001548699615 930041612 /nfs/dbraw/zinc/04/16/12/930041612.db2.gz GFXKYFQHEVXHAO-RDBSUJKOSA-N 1 1 312.414 -1.816 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(=O)Nc1ccn(C)n1 ZINC001548694525 930041680 /nfs/dbraw/zinc/04/16/80/930041680.db2.gz UFRABILANYIWLC-GHMZBOCLSA-N 1 1 306.370 -1.137 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCn2nnc(CO)c2C1 ZINC001548708016 930041982 /nfs/dbraw/zinc/04/19/82/930041982.db2.gz PWDGNFKBBBPGFZ-ZWNOBZJWSA-N 1 1 306.370 -1.499 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC001548735574 930042452 /nfs/dbraw/zinc/04/24/52/930042452.db2.gz LOVFEXCFZZCAQC-KGLIPLIRSA-N 1 1 323.441 -1.393 20 0 DAADMO CCn1cc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)c(=O)[nH]c1=O ZINC001548770102 930042564 /nfs/dbraw/zinc/04/25/64/930042564.db2.gz NLYPAQQZDHVHEJ-JQWIXIFHSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(O)(c2nccn2C)C1 ZINC001548780416 930042622 /nfs/dbraw/zinc/04/26/22/930042622.db2.gz HHNZRZQCGITECB-RYUDHWBXSA-N 1 1 305.382 -1.162 20 0 DAADMO CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548791853 930043236 /nfs/dbraw/zinc/04/32/36/930043236.db2.gz FTALIXMKGHBWQH-WXHSDQCUSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548791853 930043242 /nfs/dbraw/zinc/04/32/42/930043242.db2.gz FTALIXMKGHBWQH-WXHSDQCUSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548791853 930043248 /nfs/dbraw/zinc/04/32/48/930043248.db2.gz FTALIXMKGHBWQH-WXHSDQCUSA-N 1 1 320.397 -1.429 20 0 DAADMO C[NH+](C)[C@]1(C(=O)N2CC(O)(C(N)=O)C2)COc2ccccc2C1 ZINC001548732207 930043277 /nfs/dbraw/zinc/04/32/77/930043277.db2.gz DMRCOBWGUJLYHG-HNNXBMFYSA-N 1 1 319.361 -1.020 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(O)(c2nccn2C)C1 ZINC001548780414 930043510 /nfs/dbraw/zinc/04/35/10/930043510.db2.gz HHNZRZQCGITECB-NEPJUHHUSA-N 1 1 305.382 -1.162 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001548734742 930043957 /nfs/dbraw/zinc/04/39/57/930043957.db2.gz BHHINELJYGBIPE-LALPHHSUSA-N 1 1 324.381 -1.288 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001548732874 930044058 /nfs/dbraw/zinc/04/40/58/930044058.db2.gz LYBDZKXREFYQLZ-MWLCHTKSSA-N 1 1 302.400 -1.865 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001548734745 930044212 /nfs/dbraw/zinc/04/42/12/930044212.db2.gz BHHINELJYGBIPE-XUJVJEKNSA-N 1 1 324.381 -1.288 20 0 DAADMO Cn1ccnc1C1(O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001548783744 930045702 /nfs/dbraw/zinc/04/57/02/930045702.db2.gz KXHTWTFUYVIRLS-UHFFFAOYSA-N 1 1 307.398 -1.057 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001549045066 930046677 /nfs/dbraw/zinc/04/66/77/930046677.db2.gz SQTDUKRCKWHBLX-AVGNSLFASA-N 1 1 310.398 -1.166 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548812970 930047223 /nfs/dbraw/zinc/04/72/23/930047223.db2.gz MCJDXQBHTPASMS-NEPJUHHUSA-N 1 1 320.397 -1.113 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC001549045069 930047327 /nfs/dbraw/zinc/04/73/27/930047327.db2.gz SQTDUKRCKWHBLX-XQQFMLRXSA-N 1 1 310.398 -1.166 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)c1=O ZINC001548981079 930048607 /nfs/dbraw/zinc/04/86/07/930048607.db2.gz JIZHKFBLGZPPEZ-QJPTWQEYSA-N 1 1 309.370 -1.314 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CC(=O)NC1=O ZINC001549044154 930049271 /nfs/dbraw/zinc/04/92/71/930049271.db2.gz VXRDQACLLMNSRG-VIFPVBQESA-N 1 1 306.326 -1.555 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549172895 930050090 /nfs/dbraw/zinc/05/00/90/930050090.db2.gz OCUGVXRIIGUKTN-AGIUHOORSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1cc(O[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)cn1 ZINC001549598024 930053950 /nfs/dbraw/zinc/05/39/50/930053950.db2.gz RDGPCLHTMJJWDT-RYUDHWBXSA-N 1 1 308.338 -1.007 20 0 DAADMO Cn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)cn1 ZINC001549598024 930053965 /nfs/dbraw/zinc/05/39/65/930053965.db2.gz RDGPCLHTMJJWDT-RYUDHWBXSA-N 1 1 308.338 -1.007 20 0 DAADMO CCn1cc(O[C@@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598916 930054004 /nfs/dbraw/zinc/05/40/04/930054004.db2.gz YAQXNFBBCUSNEZ-WDEREUQCSA-N 1 1 311.342 -1.088 20 0 DAADMO Cn1cc(O[C@@H]2COC[C@H]2NC(=O)CN2CC[NH+](C)CC2)cn1 ZINC001549713902 930058180 /nfs/dbraw/zinc/05/81/80/930058180.db2.gz CUPZHAWLHBVHKL-ZIAGYGMSSA-N 1 1 323.397 -1.070 20 0 DAADMO Cn1cc(O[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@@H]2O)cn1 ZINC001549715435 930059447 /nfs/dbraw/zinc/05/94/47/930059447.db2.gz MWHSHKDRQPUFHT-KBPBESRZSA-N 1 1 323.397 -1.382 20 0 DAADMO CC(=O)NCC(=O)N1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC001550074860 930061097 /nfs/dbraw/zinc/06/10/97/930061097.db2.gz FEXKNTXXEMISCT-GFCCVEGCSA-N 1 1 312.370 -1.828 20 0 DAADMO CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001550074866 930061314 /nfs/dbraw/zinc/06/13/14/930061314.db2.gz FEXKNTXXEMISCT-LBPRGKRZSA-N 1 1 312.370 -1.828 20 0 DAADMO COC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CNCCO1 ZINC001550066600 930061397 /nfs/dbraw/zinc/06/13/97/930061397.db2.gz HYVJHVBYFRWKQC-GUTXKFCHSA-N 1 1 323.397 -1.322 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC001550092486 930061640 /nfs/dbraw/zinc/06/16/40/930061640.db2.gz HCVLVCLLLUNCEV-AGIUHOORSA-N 1 1 310.398 -1.086 20 0 DAADMO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2(O)CNC2)CC1 ZINC001550203671 930062444 /nfs/dbraw/zinc/06/24/44/930062444.db2.gz QKNMURSGQXPYLL-UHFFFAOYSA-N 1 1 310.398 -1.347 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1=O ZINC001550387325 930062635 /nfs/dbraw/zinc/06/26/35/930062635.db2.gz CHKPLXCQARNSKY-UMSGYPCISA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1CO)C(=O)N(C)C ZINC001550146177 930062809 /nfs/dbraw/zinc/06/28/09/930062809.db2.gz ZOVFWURSPFHFAE-YNEHKIRRSA-N 1 1 312.414 -1.280 20 0 DAADMO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)CNCCO1 ZINC001550112864 930063357 /nfs/dbraw/zinc/06/33/57/930063357.db2.gz LMXGSGFOPWSESQ-HUBLWGQQSA-N 1 1 323.397 -1.322 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@@H]2C1=O ZINC001550413729 930064965 /nfs/dbraw/zinc/06/49/65/930064965.db2.gz ZATHHMWWKVRQRD-RYUDHWBXSA-N 1 1 308.382 -1.447 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC001551452406 930066136 /nfs/dbraw/zinc/06/61/36/930066136.db2.gz QKIJEOWRSOPUMV-BBRMVZONSA-N 1 1 324.425 -1.155 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]1COCC2 ZINC001551415319 930066257 /nfs/dbraw/zinc/06/62/57/930066257.db2.gz CQQKPZDODZCFCD-XHDPSFHLSA-N 1 1 324.381 -1.971 20 0 DAADMO CNC(=O)[C@@]12C[N@H+](CCC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551411996 930066843 /nfs/dbraw/zinc/06/68/43/930066843.db2.gz UUZPEMRMRNMRLO-CJNGLKHVSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551411996 930066855 /nfs/dbraw/zinc/06/68/55/930066855.db2.gz UUZPEMRMRNMRLO-CJNGLKHVSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551423552 930066906 /nfs/dbraw/zinc/06/69/06/930066906.db2.gz VKTFYGZUBXQGDP-PKFCDNJMSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)[C@@]12C[N@H+](CC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551410450 930067476 /nfs/dbraw/zinc/06/74/76/930067476.db2.gz QFDNNLBDFOADCZ-WFASDCNBSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551410450 930067488 /nfs/dbraw/zinc/06/74/88/930067488.db2.gz QFDNNLBDFOADCZ-WFASDCNBSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]1COCC2 ZINC001551428783 930067948 /nfs/dbraw/zinc/06/79/48/930067948.db2.gz WYFDVUGPFZXCFC-QMTHXVAHSA-N 1 1 310.354 -1.377 20 0 DAADMO O=C(CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCNCC1 ZINC001552419227 930073491 /nfs/dbraw/zinc/07/34/91/930073491.db2.gz QJZQBNSCGPNTTB-UHFFFAOYSA-N 1 1 321.385 -1.636 20 0 DAADMO CC(=O)N1CCO[C@@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@H]21 ZINC001552990440 930075067 /nfs/dbraw/zinc/07/50/67/930075067.db2.gz MBFPQNMRAVLTCE-HUUCEWRRSA-N 1 1 324.425 -1.062 20 0 DAADMO CC(=O)N1CCO[C@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@H]21 ZINC001552990432 930075091 /nfs/dbraw/zinc/07/50/91/930075091.db2.gz MBFPQNMRAVLTCE-CABCVRRESA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC001552987870 930075485 /nfs/dbraw/zinc/07/54/85/930075485.db2.gz OSBWQLJXFPTKHF-NWDGAFQWSA-N 1 1 319.427 -1.904 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC001552987870 930075495 /nfs/dbraw/zinc/07/54/95/930075495.db2.gz OSBWQLJXFPTKHF-NWDGAFQWSA-N 1 1 319.427 -1.904 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC001556160328 930076903 /nfs/dbraw/zinc/07/69/03/930076903.db2.gz WQTNIDRXBXYXKP-GHMZBOCLSA-N 1 1 321.385 -1.056 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3O)CCC2=O)cn1 ZINC001553651691 930077079 /nfs/dbraw/zinc/07/70/79/930077079.db2.gz YJEYXDFRDQPWRD-UHTWSYAYSA-N 1 1 321.381 -1.046 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H](C)[N@@H+]1CCO ZINC001556640715 930081248 /nfs/dbraw/zinc/08/12/48/930081248.db2.gz YRDQPRNEUAKEST-TXEJJXNPSA-N 1 1 324.381 -1.160 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001559635132 930090313 /nfs/dbraw/zinc/09/03/13/930090313.db2.gz LQRFJSZYJOFYMX-GHMZBOCLSA-N 1 1 301.343 -2.347 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001559635132 930090324 /nfs/dbraw/zinc/09/03/24/930090324.db2.gz LQRFJSZYJOFYMX-GHMZBOCLSA-N 1 1 301.343 -2.347 20 0 DAADMO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001560444064 930090904 /nfs/dbraw/zinc/09/09/04/930090904.db2.gz BEPLXIJNCDKPPN-NEPJUHHUSA-N 1 1 313.358 -1.327 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001563962674 930095220 /nfs/dbraw/zinc/09/52/20/930095220.db2.gz WDVFRLVSTBIXKT-KKOKHZNYSA-N 1 1 322.365 -1.236 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001564020490 930095301 /nfs/dbraw/zinc/09/53/01/930095301.db2.gz XTWXLWCWENTEHN-VIFPVBQESA-N 1 1 310.358 -2.164 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001570921559 948623344 /nfs/dbraw/zinc/62/33/44/948623344.db2.gz FGQDACWXABHTKQ-UHFFFAOYSA-N 1 1 318.341 -1.126 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995770 956894155 /nfs/dbraw/zinc/89/41/55/956894155.db2.gz SPJKZOCSNPTSMH-YRGRVCCFSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995770 956894172 /nfs/dbraw/zinc/89/41/72/956894172.db2.gz SPJKZOCSNPTSMH-YRGRVCCFSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995770 956894189 /nfs/dbraw/zinc/89/41/89/956894189.db2.gz SPJKZOCSNPTSMH-YRGRVCCFSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995770 956894204 /nfs/dbraw/zinc/89/42/04/956894204.db2.gz SPJKZOCSNPTSMH-YRGRVCCFSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995770 956894224 /nfs/dbraw/zinc/89/42/24/956894224.db2.gz SPJKZOCSNPTSMH-YRGRVCCFSA-N 1 1 302.371 -1.042 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001592513636 978347327 /nfs/dbraw/zinc/34/73/27/978347327.db2.gz HXLFUNUSSTWMRN-MNOVXSKESA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001592513636 978347332 /nfs/dbraw/zinc/34/73/32/978347332.db2.gz HXLFUNUSSTWMRN-MNOVXSKESA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[N@@H+]1CCC(=O)[O-] ZINC001594495503 985633828 /nfs/dbraw/zinc/63/38/28/985633828.db2.gz BCKBQEWZEFVRAM-JTQLQIEISA-N 1 1 310.358 -1.142 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CC[N@H+]1CCC(=O)[O-] ZINC001594495503 985633830 /nfs/dbraw/zinc/63/38/30/985633830.db2.gz BCKBQEWZEFVRAM-JTQLQIEISA-N 1 1 310.358 -1.142 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584715 986467229 /nfs/dbraw/zinc/46/72/29/986467229.db2.gz LHUSLCXOFCUUCL-UPJWGTAASA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584715 986467233 /nfs/dbraw/zinc/46/72/33/986467233.db2.gz LHUSLCXOFCUUCL-UPJWGTAASA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001594584715 986467239 /nfs/dbraw/zinc/46/72/39/986467239.db2.gz LHUSLCXOFCUUCL-UPJWGTAASA-N 1 1 310.398 -1.151 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C(=O)[O-] ZINC001598822608 996346548 /nfs/dbraw/zinc/34/65/48/996346548.db2.gz RNHJVBUKXPMHJM-QWRGUYRKSA-N 1 1 313.354 -1.386 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)NC1=O ZINC001191719693 781918761 /nfs/dbraw/zinc/91/87/61/781918761.db2.gz NWYACIDGYSJSFF-VXGBXAGGSA-N 1 1 314.386 -1.448 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720228 781919665 /nfs/dbraw/zinc/91/96/65/781919665.db2.gz QTPFMUDVGUDYCG-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720228 781919676 /nfs/dbraw/zinc/91/96/76/781919676.db2.gz QTPFMUDVGUDYCG-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)o2)[C@H]2NCN[C@@H]21 ZINC001191733625 781920390 /nfs/dbraw/zinc/92/03/90/781920390.db2.gz UYMCXGBIGMJBGM-FSDSQADBSA-N 1 1 317.147 -1.430 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698362 781920939 /nfs/dbraw/zinc/92/09/39/781920939.db2.gz YSJUNUSSGZVWCD-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720584 781920950 /nfs/dbraw/zinc/92/09/50/781920950.db2.gz UOOWBNHYXYCNPF-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720584 781920956 /nfs/dbraw/zinc/92/09/56/781920956.db2.gz UOOWBNHYXYCNPF-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H](CNC(=O)[C@H](CO)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242653 545642798 /nfs/dbraw/zinc/64/27/98/545642798.db2.gz CQXBQQDAMZXBFR-ZNSHCXBVSA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@H](CNC(=O)[C@H](CO)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242653 545642805 /nfs/dbraw/zinc/64/28/05/545642805.db2.gz CQXBQQDAMZXBFR-ZNSHCXBVSA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746427 781922973 /nfs/dbraw/zinc/92/29/73/781922973.db2.gz UVZJNQFJXGDJLS-RKDXNWHRSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746427 781922977 /nfs/dbraw/zinc/92/29/77/781922977.db2.gz UVZJNQFJXGDJLS-RKDXNWHRSA-N 1 1 313.358 -1.775 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191807131 781924000 /nfs/dbraw/zinc/92/40/00/781924000.db2.gz KDKVCVKFXZFDFH-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191807131 781924010 /nfs/dbraw/zinc/92/40/10/781924010.db2.gz KDKVCVKFXZFDFH-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CCNC(=O)C3CC3)C2)n1 ZINC001191781987 781924332 /nfs/dbraw/zinc/92/43/32/781924332.db2.gz YZIBWNFQTBORLF-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001191784973 781924409 /nfs/dbraw/zinc/92/44/09/781924409.db2.gz MOEHVVNKBKQUAT-MGPQQGTHSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)S(C)(=O)=O ZINC000650303247 545649871 /nfs/dbraw/zinc/64/98/71/545649871.db2.gz SKCMEKFLMIHDFL-JTQLQIEISA-N 1 1 305.400 -1.348 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2nccnn2)CC1 ZINC000625645210 545653353 /nfs/dbraw/zinc/65/33/53/545653353.db2.gz LMAZUUKQOBDTGP-CYBMUJFWSA-N 1 1 310.402 -1.067 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C2(n3cnnn3)CC2)CC1 ZINC000668676153 545659162 /nfs/dbraw/zinc/65/91/62/545659162.db2.gz WUVAJLBRKPSKCW-UHFFFAOYSA-N 1 1 307.358 -1.558 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001191802676 781926065 /nfs/dbraw/zinc/92/60/65/781926065.db2.gz VOMUIFNBOJDJNH-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001191802676 781926073 /nfs/dbraw/zinc/92/60/73/781926073.db2.gz VOMUIFNBOJDJNH-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000407977838 545663228 /nfs/dbraw/zinc/66/32/28/545663228.db2.gz UOXQFTQBGODAJO-ZDUSSCGKSA-N 1 1 311.430 -1.488 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000643058792 545669684 /nfs/dbraw/zinc/66/96/84/545669684.db2.gz LBNPSOXRQVQWSI-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001191865229 781927649 /nfs/dbraw/zinc/92/76/49/781927649.db2.gz TYXMJPXGTUIUHJ-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001191865229 781927657 /nfs/dbraw/zinc/92/76/57/781927657.db2.gz TYXMJPXGTUIUHJ-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191822687 781927863 /nfs/dbraw/zinc/92/78/63/781927863.db2.gz FAAXKBIAVXSCLX-NXEZZACHSA-N 1 1 311.342 -2.157 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191822687 781927870 /nfs/dbraw/zinc/92/78/70/781927870.db2.gz FAAXKBIAVXSCLX-NXEZZACHSA-N 1 1 311.342 -2.157 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001191865570 781929060 /nfs/dbraw/zinc/92/90/60/781929060.db2.gz YEHILTYVGYAWBM-IJLUTSLNSA-N 1 1 301.387 -1.165 20 0 DAADMO O=C(CC1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191907910 781929391 /nfs/dbraw/zinc/92/93/91/781929391.db2.gz YNEIMJBNEKFAII-ZIAGYGMSSA-N 1 1 316.398 -1.027 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331199922 545703300 /nfs/dbraw/zinc/70/33/00/545703300.db2.gz WEZDDFIERHTTAB-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648217 545705301 /nfs/dbraw/zinc/70/53/01/545705301.db2.gz IKJWOJOIRQFYLM-OUAUKWLOSA-N 1 1 305.400 -1.456 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000343927062 545709519 /nfs/dbraw/zinc/70/95/19/545709519.db2.gz UWRVADVSIJGDMH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)CN2CCOCC2=O)CC1 ZINC000344334716 545710789 /nfs/dbraw/zinc/71/07/89/545710789.db2.gz XUMGAPNMGGXBEQ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001191988408 781932616 /nfs/dbraw/zinc/93/26/16/781932616.db2.gz OOYOTQBUMAGWLG-IWSPIJDZSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001191988408 781932621 /nfs/dbraw/zinc/93/26/21/781932621.db2.gz OOYOTQBUMAGWLG-IWSPIJDZSA-N 1 1 307.297 -1.553 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191915836 781932753 /nfs/dbraw/zinc/93/27/53/781932753.db2.gz COKVGRBDHBCESS-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191915836 781932764 /nfs/dbraw/zinc/93/27/64/781932764.db2.gz COKVGRBDHBCESS-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCCOC)C1 ZINC001191916143 781933655 /nfs/dbraw/zinc/93/36/55/781933655.db2.gz HEJJSSNFCQJOOB-CHWSQXEVSA-N 1 1 320.386 -1.526 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCCOC)C1 ZINC001191916143 781933667 /nfs/dbraw/zinc/93/36/67/781933667.db2.gz HEJJSSNFCQJOOB-CHWSQXEVSA-N 1 1 320.386 -1.526 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)NC[C@H]1CN(C)CCN1C ZINC000347174795 545715372 /nfs/dbraw/zinc/71/53/72/545715372.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 1 1 301.435 -1.154 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CN(C)CCN1C ZINC000347174795 545715376 /nfs/dbraw/zinc/71/53/76/545715376.db2.gz WPQQSTIVGIGNPR-ZDUSSCGKSA-N 1 1 301.435 -1.154 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000347108886 545715640 /nfs/dbraw/zinc/71/56/40/545715640.db2.gz QTPPNMKLXHZGNX-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001191915853 781933712 /nfs/dbraw/zinc/93/37/12/781933712.db2.gz DIOQNXYFOSBABJ-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000347128062 545716009 /nfs/dbraw/zinc/71/60/09/545716009.db2.gz KDLKYBWVJRNWBD-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191994987 781933832 /nfs/dbraw/zinc/93/38/32/781933832.db2.gz FEKGBPHFYOCGSH-RKDXNWHRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191994987 781933844 /nfs/dbraw/zinc/93/38/44/781933844.db2.gz FEKGBPHFYOCGSH-RKDXNWHRSA-N 1 1 312.326 -2.828 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000347425414 545717791 /nfs/dbraw/zinc/71/77/91/545717791.db2.gz HYTPMJXTBSYKLB-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000350946867 545719194 /nfs/dbraw/zinc/71/91/94/545719194.db2.gz CYSUWTUYDCAQCJ-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000350946867 545719198 /nfs/dbraw/zinc/71/91/98/545719198.db2.gz CYSUWTUYDCAQCJ-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995398 781934520 /nfs/dbraw/zinc/93/45/20/781934520.db2.gz KZPGGDUXFFXYEG-HBNTYKKESA-N 1 1 314.386 -1.720 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995398 781934531 /nfs/dbraw/zinc/93/45/31/781934531.db2.gz KZPGGDUXFFXYEG-HBNTYKKESA-N 1 1 314.386 -1.720 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2=O)cn1 ZINC000081419238 192260883 /nfs/dbraw/zinc/26/08/83/192260883.db2.gz SFGBKTWHYBXNCD-NWDGAFQWSA-N 1 1 307.354 -1.028 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2=O)cn1 ZINC000081419238 192260885 /nfs/dbraw/zinc/26/08/85/192260885.db2.gz SFGBKTWHYBXNCD-NWDGAFQWSA-N 1 1 307.354 -1.028 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999829 781935113 /nfs/dbraw/zinc/93/51/13/781935113.db2.gz YNLJAIVIDOQTNO-WDEREUQCSA-N 1 1 310.354 -1.077 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995790 781935294 /nfs/dbraw/zinc/93/52/94/781935294.db2.gz UCQVVIGQGFRYOJ-HBNTYKKESA-N 1 1 314.386 -1.722 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995790 781935303 /nfs/dbraw/zinc/93/53/03/781935303.db2.gz UCQVVIGQGFRYOJ-HBNTYKKESA-N 1 1 314.386 -1.722 20 0 DAADMO CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)ccn1 ZINC001191967846 781935848 /nfs/dbraw/zinc/93/58/48/781935848.db2.gz UVHHJVJWVGRONZ-VXGBXAGGSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)ccn1 ZINC001191967846 781935858 /nfs/dbraw/zinc/93/58/58/781935858.db2.gz UVHHJVJWVGRONZ-VXGBXAGGSA-N 1 1 321.381 -1.316 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000336866617 283362016 /nfs/dbraw/zinc/36/20/16/283362016.db2.gz ORJAYOSOSYCDJQ-AWEZNQCLSA-N 1 1 310.354 -1.227 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999823 781935938 /nfs/dbraw/zinc/93/59/38/781935938.db2.gz YNLJAIVIDOQTNO-GHMZBOCLSA-N 1 1 310.354 -1.077 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999489 781935955 /nfs/dbraw/zinc/93/59/55/781935955.db2.gz VUENEOPGSUMRDF-QMMMGPOBSA-N 1 1 322.325 -1.889 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999489 781935959 /nfs/dbraw/zinc/93/59/59/781935959.db2.gz VUENEOPGSUMRDF-QMMMGPOBSA-N 1 1 322.325 -1.889 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@@H]2NCN[C@@H]21 ZINC001191973545 781936566 /nfs/dbraw/zinc/93/65/66/781936566.db2.gz SOIISYIKYIOBHC-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001191995892 781936588 /nfs/dbraw/zinc/93/65/88/781936588.db2.gz UNDGBUNAWWGJEQ-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192003534 781936623 /nfs/dbraw/zinc/93/66/23/781936623.db2.gz ZOJZHTZZGSZXHL-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC000357984928 545739997 /nfs/dbraw/zinc/73/99/97/545739997.db2.gz BCMLYQZHSQVWSP-NSHDSACASA-N 1 1 312.370 -1.971 20 0 DAADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000358163881 545742280 /nfs/dbraw/zinc/74/22/80/545742280.db2.gz HOZQHXHEFDAEBF-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1=O ZINC000362755740 545744609 /nfs/dbraw/zinc/74/46/09/545744609.db2.gz ALALLRYZNUCTLY-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001191979818 781937364 /nfs/dbraw/zinc/93/73/64/781937364.db2.gz WTXJAVWEOKJLPN-BFHYXJOUSA-N 1 1 321.377 -1.373 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001191979366 781937839 /nfs/dbraw/zinc/93/78/39/781937839.db2.gz SMWCTGIOEZRKLN-BWZBUEFSSA-N 1 1 313.276 -1.664 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O ZINC001191979366 781937842 /nfs/dbraw/zinc/93/78/42/781937842.db2.gz SMWCTGIOEZRKLN-BWZBUEFSSA-N 1 1 313.276 -1.664 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001192014902 781937865 /nfs/dbraw/zinc/93/78/65/781937865.db2.gz WTNNGHLFZGEEHD-MVWJERBFSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001192014903 781937973 /nfs/dbraw/zinc/93/79/73/781937973.db2.gz WTNNGHLFZGEEHD-YUSALJHKSA-N 1 1 311.338 -1.431 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978063 781938254 /nfs/dbraw/zinc/93/82/54/781938254.db2.gz ISNOIUXCZFYPSQ-GHMZBOCLSA-N 1 1 316.358 -2.824 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012192 781938644 /nfs/dbraw/zinc/93/86/44/781938644.db2.gz IPIPWECQRBCPLY-JHJVBQTASA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001192012192 781938654 /nfs/dbraw/zinc/93/86/54/781938654.db2.gz IPIPWECQRBCPLY-JHJVBQTASA-N 1 1 317.386 -2.513 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001192014737 781938937 /nfs/dbraw/zinc/93/89/37/781938937.db2.gz SYOBMTSPDIVTRH-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001192014117 781939314 /nfs/dbraw/zinc/93/93/14/781939314.db2.gz PXFUXVWBBHMZEU-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001192013949 781939538 /nfs/dbraw/zinc/93/95/38/781939538.db2.gz NJQMXFIPCMPMNA-VXGBXAGGSA-N 1 1 311.338 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001192013949 781939546 /nfs/dbraw/zinc/93/95/46/781939546.db2.gz NJQMXFIPCMPMNA-VXGBXAGGSA-N 1 1 311.338 -1.429 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039336 781940515 /nfs/dbraw/zinc/94/05/15/781940515.db2.gz XJIOCNYATMVXDT-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039336 781940523 /nfs/dbraw/zinc/94/05/23/781940523.db2.gz XJIOCNYATMVXDT-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073065 781940670 /nfs/dbraw/zinc/94/06/70/781940670.db2.gz OSPJOTQSEKAKRC-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037505 781940768 /nfs/dbraw/zinc/94/07/68/781940768.db2.gz HFNSTWJYDDKPIF-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037505 781940774 /nfs/dbraw/zinc/94/07/74/781940774.db2.gz HFNSTWJYDDKPIF-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037507 781940995 /nfs/dbraw/zinc/94/09/95/781940995.db2.gz HFNSTWJYDDKPIF-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037507 781941002 /nfs/dbraw/zinc/94/10/02/781941002.db2.gz HFNSTWJYDDKPIF-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038764 781941223 /nfs/dbraw/zinc/94/12/23/781941223.db2.gz RZNSAPRTYPSZEK-HTQZYQBOSA-N 1 1 312.330 -2.605 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038764 781941226 /nfs/dbraw/zinc/94/12/26/781941226.db2.gz RZNSAPRTYPSZEK-HTQZYQBOSA-N 1 1 312.330 -2.605 20 0 DAADMO C[N@H+](CC(=O)NCC(F)(F)F)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101407 781942663 /nfs/dbraw/zinc/94/26/63/781942663.db2.gz CNHZHURUBYVTAY-SSDOTTSWSA-N 1 1 310.276 -1.317 20 0 DAADMO C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101407 781942675 /nfs/dbraw/zinc/94/26/75/781942675.db2.gz CNHZHURUBYVTAY-SSDOTTSWSA-N 1 1 310.276 -1.317 20 0 DAADMO CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072773 781942357 /nfs/dbraw/zinc/94/23/57/781942357.db2.gz KWZDWCZJGZGWFG-NSHDSACASA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCOC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081899 781942415 /nfs/dbraw/zinc/94/24/15/781942415.db2.gz AJXUQLRZJQDOCA-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCOC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081899 781942425 /nfs/dbraw/zinc/94/24/25/781942425.db2.gz AJXUQLRZJQDOCA-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072141 781942578 /nfs/dbraw/zinc/94/25/78/781942578.db2.gz AVIFNXDYXDUGDP-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072772 781943374 /nfs/dbraw/zinc/94/33/74/781943374.db2.gz KWZDWCZJGZGWFG-LLVKDONJSA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@H+](CC(=O)NC1CCOCC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101683 781944424 /nfs/dbraw/zinc/94/44/24/781944424.db2.gz GORJMEMBOCSVOE-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101683 781944430 /nfs/dbraw/zinc/94/44/30/781944430.db2.gz GORJMEMBOCSVOE-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(/C=C\C1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192062501 781944506 /nfs/dbraw/zinc/94/45/06/781944506.db2.gz OHIYYJCQKZECRO-OPVGQWETSA-N 1 1 322.365 -1.334 20 0 DAADMO O=C(/C=C\C1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192062501 781944514 /nfs/dbraw/zinc/94/45/14/781944514.db2.gz OHIYYJCQKZECRO-OPVGQWETSA-N 1 1 322.365 -1.334 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072483 781944626 /nfs/dbraw/zinc/94/46/26/781944626.db2.gz FTALEULJHBDYMV-MNOVXSKESA-N 1 1 303.359 -1.972 20 0 DAADMO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102457 781944948 /nfs/dbraw/zinc/94/49/48/781944948.db2.gz RWQLRDDKEKXZFG-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102457 781944958 /nfs/dbraw/zinc/94/49/58/781944958.db2.gz RWQLRDDKEKXZFG-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192103571 781946418 /nfs/dbraw/zinc/94/64/18/781946418.db2.gz PFRYGMUZTWPFTC-GMTAPVOTSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103571 781946425 /nfs/dbraw/zinc/94/64/25/781946425.db2.gz PFRYGMUZTWPFTC-GMTAPVOTSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001192103571 781946432 /nfs/dbraw/zinc/94/64/32/781946432.db2.gz PFRYGMUZTWPFTC-GMTAPVOTSA-N 1 1 313.358 -2.094 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102112 781946808 /nfs/dbraw/zinc/94/68/08/781946808.db2.gz MPLXOKRHNAVQJK-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102112 781946821 /nfs/dbraw/zinc/94/68/21/781946821.db2.gz MPLXOKRHNAVQJK-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(CC[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192186891 781947858 /nfs/dbraw/zinc/94/78/58/781947858.db2.gz GNIJDVYYQVQCBT-BFHYXJOUSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192095091 781948165 /nfs/dbraw/zinc/94/81/65/781948165.db2.gz ZMBBDTMEGXHMSS-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192151615 781948514 /nfs/dbraw/zinc/94/85/14/781948514.db2.gz AHYAWHLUYUSWKJ-KGLIPLIRSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001192151615 781948519 /nfs/dbraw/zinc/94/85/19/781948519.db2.gz AHYAWHLUYUSWKJ-KGLIPLIRSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192151615 781948527 /nfs/dbraw/zinc/94/85/27/781948527.db2.gz AHYAWHLUYUSWKJ-KGLIPLIRSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192095094 781949616 /nfs/dbraw/zinc/94/96/16/781949616.db2.gz ZMBBDTMEGXHMSS-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001192206887 781949538 /nfs/dbraw/zinc/94/95/38/781949538.db2.gz RTUQMPLOMYJXTH-ZETCQYMHSA-N 1 1 312.305 -1.110 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001192206887 781949546 /nfs/dbraw/zinc/94/95/46/781949546.db2.gz RTUQMPLOMYJXTH-ZETCQYMHSA-N 1 1 312.305 -1.110 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269273 781952586 /nfs/dbraw/zinc/95/25/86/781952586.db2.gz WSTWGWHFRWGIEN-UWVGGRQHSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269273 781952595 /nfs/dbraw/zinc/95/25/95/781952595.db2.gz WSTWGWHFRWGIEN-UWVGGRQHSA-N 1 1 316.358 -1.625 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270240 781952760 /nfs/dbraw/zinc/95/27/60/781952760.db2.gz CATSHYBWZAMPEM-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192263063 781952950 /nfs/dbraw/zinc/95/29/50/781952950.db2.gz DROMOLXXTAQANE-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192263221 781953096 /nfs/dbraw/zinc/95/30/96/781953096.db2.gz LHBNUACQHYREDH-JHJVBQTASA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269274 781953141 /nfs/dbraw/zinc/95/31/41/781953141.db2.gz WSTWGWHFRWGIEN-VHSXEESVSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269274 781953146 /nfs/dbraw/zinc/95/31/46/781953146.db2.gz WSTWGWHFRWGIEN-VHSXEESVSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269275 781953227 /nfs/dbraw/zinc/95/32/27/781953227.db2.gz WSTWGWHFRWGIEN-ZJUUUORDSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269275 781953232 /nfs/dbraw/zinc/95/32/32/781953232.db2.gz WSTWGWHFRWGIEN-ZJUUUORDSA-N 1 1 316.358 -1.625 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)n1cncn1 ZINC001192271182 781953684 /nfs/dbraw/zinc/95/36/84/781953684.db2.gz PUWJLCMXYDSBPA-QJPTWQEYSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)n1cncn1 ZINC001192271182 781953688 /nfs/dbraw/zinc/95/36/88/781953688.db2.gz PUWJLCMXYDSBPA-QJPTWQEYSA-N 1 1 313.358 -1.991 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc(C(=O)OC)nn2)C1 ZINC000375981928 545754537 /nfs/dbraw/zinc/75/45/37/545754537.db2.gz ZIIBCFKIGYNTST-NSHDSACASA-N 1 1 311.342 -1.098 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCn2cc(C(=O)OC)nn2)C1 ZINC000375981928 545754543 /nfs/dbraw/zinc/75/45/43/545754543.db2.gz ZIIBCFKIGYNTST-NSHDSACASA-N 1 1 311.342 -1.098 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)(C)C)C1 ZINC001192329428 781954264 /nfs/dbraw/zinc/95/42/64/781954264.db2.gz YVPIESSRZQTBGH-QJPTWQEYSA-N 1 1 304.387 -1.030 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001192328232 781955564 /nfs/dbraw/zinc/95/55/64/781955564.db2.gz CHORPBNYAPTOOU-YUSALJHKSA-N 1 1 311.386 -1.062 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)on1 ZINC001192320373 781955677 /nfs/dbraw/zinc/95/56/77/781955677.db2.gz GAKRBJVCKAQHHH-NXEZZACHSA-N 1 1 315.326 -1.533 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)on1 ZINC001192320373 781955680 /nfs/dbraw/zinc/95/56/80/781955680.db2.gz GAKRBJVCKAQHHH-NXEZZACHSA-N 1 1 315.326 -1.533 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001192328427 781955917 /nfs/dbraw/zinc/95/59/17/781955917.db2.gz GMMLAONVIUEORB-FBIMIBRVSA-N 1 1 313.358 -2.216 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001192363304 781956941 /nfs/dbraw/zinc/95/69/41/781956941.db2.gz IXPNDXHOQFVWMM-QJPTWQEYSA-N 1 1 301.387 -1.165 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192367692 781957439 /nfs/dbraw/zinc/95/74/39/781957439.db2.gz PMLPIODGHCYTOG-UTUOFQBUSA-N 1 1 310.398 -1.011 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192367692 781957446 /nfs/dbraw/zinc/95/74/46/781957446.db2.gz PMLPIODGHCYTOG-UTUOFQBUSA-N 1 1 310.398 -1.011 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192364659 781958145 /nfs/dbraw/zinc/95/81/45/781958145.db2.gz SGAJOBAXJXVJET-GMTAPVOTSA-N 1 1 303.359 -2.319 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192353482 781958012 /nfs/dbraw/zinc/95/80/12/781958012.db2.gz SSZLGHIVLQHMOA-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671123094 545758546 /nfs/dbraw/zinc/75/85/46/545758546.db2.gz XKJTWRGRBYGESW-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192419406 781958653 /nfs/dbraw/zinc/95/86/53/781958653.db2.gz BWXXNLKCYRWOPE-NQBHXWOUSA-N 1 1 312.370 -1.315 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000419222998 545765432 /nfs/dbraw/zinc/76/54/32/545765432.db2.gz LRQYDVHMTIFZLG-STQMWFEESA-N 1 1 310.398 -1.454 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000419246553 545765662 /nfs/dbraw/zinc/76/56/62/545765662.db2.gz MIPVXWZNOSRVKR-RKDXNWHRSA-N 1 1 318.324 -1.034 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCNC[C@H]1C ZINC000419668389 545767859 /nfs/dbraw/zinc/76/78/59/545767859.db2.gz ACIHXUXFPAUAJN-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC[C@H]1C ZINC000419668389 545767863 /nfs/dbraw/zinc/76/78/63/545767863.db2.gz ACIHXUXFPAUAJN-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)CN ZINC000419538981 545768671 /nfs/dbraw/zinc/76/86/71/545768671.db2.gz PCPGCWMQFYQGPV-JTQLQIEISA-N 1 1 322.356 -1.076 20 0 DAADMO C[C@H]([C@H](C)NC(=O)C(=O)NCC(F)(F)C[NH3+])N1CCOCC1 ZINC000419683319 545768780 /nfs/dbraw/zinc/76/87/80/545768780.db2.gz KKCJJKKYHMCFQR-VHSXEESVSA-N 1 1 322.356 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192420673 781959913 /nfs/dbraw/zinc/95/99/13/781959913.db2.gz VQYCGAIAAPUEEG-IJLUTSLNSA-N 1 1 318.370 -1.692 20 0 DAADMO C[C@@H](O)C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H](C)CO ZINC000443333723 545778609 /nfs/dbraw/zinc/77/86/09/545778609.db2.gz KPHAYYVGGSNCIL-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@H](O)C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H](C)CO ZINC000443333723 545778616 /nfs/dbraw/zinc/77/86/16/545778616.db2.gz KPHAYYVGGSNCIL-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000443328753 545779043 /nfs/dbraw/zinc/77/90/43/545779043.db2.gz GVHHQMVWEJUZLP-DCAQKATOSA-N 1 1 305.375 -1.089 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000443518458 545779236 /nfs/dbraw/zinc/77/92/36/545779236.db2.gz GIQBRYDKJMOYFF-VHSXEESVSA-N 1 1 308.404 -1.317 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000443433198 545779789 /nfs/dbraw/zinc/77/97/89/545779789.db2.gz ZPTHSNALURUFIC-SNVBAGLBSA-N 1 1 308.404 -1.363 20 0 DAADMO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718572 372787867 /nfs/dbraw/zinc/78/78/67/372787867.db2.gz ZWKRJOBCNVPWIS-RYDUCSDGSA-N 1 1 310.398 -1.624 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157056 372792558 /nfs/dbraw/zinc/79/25/58/372792558.db2.gz MDOGFIILCGRJIR-KOLCDFICSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000186886408 372766250 /nfs/dbraw/zinc/76/62/50/372766250.db2.gz OVPGSVMCYVELNY-LLVKDONJSA-N 1 1 311.386 -1.115 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(N)(=O)=O)CC2)C1 ZINC000117372901 372771650 /nfs/dbraw/zinc/77/16/50/372771650.db2.gz SQKHLFKBESQOAB-LBPRGKRZSA-N 1 1 306.432 -1.083 20 0 DAADMO CNc1nc(NC[C@H]2C[C@@H](O)C2)[nH+]c(NC[C@H]2C[C@@H](O)C2)n1 ZINC000624666698 372771844 /nfs/dbraw/zinc/77/18/44/372771844.db2.gz NARCKABXXSFJRD-FDNPJPRYSA-N 1 1 308.386 -1.455 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624774136 372774104 /nfs/dbraw/zinc/77/41/04/372774104.db2.gz LTJYQLBJYUGIFW-SSDOTTSWSA-N 1 1 301.376 -1.538 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000041967850 372774484 /nfs/dbraw/zinc/77/44/84/372774484.db2.gz UFPIJENRTDGHAD-UHFFFAOYSA-N 1 1 312.370 -1.369 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000533545511 372780892 /nfs/dbraw/zinc/78/08/92/372780892.db2.gz CHSYXVFDDPMURG-RYUDHWBXSA-N 1 1 307.416 -1.697 20 0 DAADMO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718573 372786229 /nfs/dbraw/zinc/78/62/29/372786229.db2.gz ZWKRJOBCNVPWIS-XEZLXBQYSA-N 1 1 310.398 -1.624 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000616419580 372799613 /nfs/dbraw/zinc/79/96/13/372799613.db2.gz RGJDUDCTDVGUNH-WDEREUQCSA-N 1 1 304.416 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2ncn(C)c2=O)[C@H](C)C1 ZINC000556745054 372805953 /nfs/dbraw/zinc/80/59/53/372805953.db2.gz XARYNKHGELPEGB-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO Nc1nc(N)[nH+]c(NCc2ccnc(N3CCOCC3)c2)n1 ZINC000623844061 372809022 /nfs/dbraw/zinc/80/90/22/372809022.db2.gz CVOMGEJJRALMOE-UHFFFAOYSA-N 1 1 302.342 -1.038 20 0 DAADMO COc1ccnc(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)c1 ZINC000557297878 372810555 /nfs/dbraw/zinc/81/05/55/372810555.db2.gz UOHOASSLMYXTEX-UHFFFAOYSA-N 1 1 319.365 -1.173 20 0 DAADMO NC(=O)C(NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000557473250 372813386 /nfs/dbraw/zinc/81/33/86/372813386.db2.gz MILLHVJQHHXOJW-NSHDSACASA-N 1 1 304.350 -1.036 20 0 DAADMO NC(=O)C(NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000557473247 372815117 /nfs/dbraw/zinc/81/51/17/372815117.db2.gz MILLHVJQHHXOJW-LLVKDONJSA-N 1 1 304.350 -1.036 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000600480730 372837755 /nfs/dbraw/zinc/83/77/55/372837755.db2.gz MPCBALDUHYTDSA-NEPJUHHUSA-N 1 1 318.443 -1.228 20 0 DAADMO Cn1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(=O)[nH]c1=O ZINC000632263571 372838847 /nfs/dbraw/zinc/83/88/47/372838847.db2.gz BFPBRWCNAHZQTM-UHFFFAOYSA-N 1 1 314.367 -1.045 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1)S(C)(=O)=O ZINC000634781505 372842748 /nfs/dbraw/zinc/84/27/48/372842748.db2.gz CZVZQVZFIVYNRV-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000408320754 372851914 /nfs/dbraw/zinc/85/19/14/372851914.db2.gz OWVRLAQSXVFVEN-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000358553983 372855992 /nfs/dbraw/zinc/85/59/92/372855992.db2.gz AOPLABAZOIVMFE-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN(c3nccnn3)CC2)CC1 ZINC000625638194 372829881 /nfs/dbraw/zinc/82/98/81/372829881.db2.gz DVQMQSXCHLHHNL-UHFFFAOYSA-N 1 1 305.386 -1.232 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOCC(N)=O)CC1=O ZINC000367548857 372867841 /nfs/dbraw/zinc/86/78/41/372867841.db2.gz FNNSGWGWOOVCGR-MNOVXSKESA-N 1 1 312.370 -1.148 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561256498 372870107 /nfs/dbraw/zinc/87/01/07/372870107.db2.gz ZUJUATBHGKOEEM-LBPRGKRZSA-N 1 1 315.418 -2.218 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C)C1 ZINC000408387063 372875534 /nfs/dbraw/zinc/87/55/34/372875534.db2.gz VYQNSFBQVLCVCF-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635219671 372876747 /nfs/dbraw/zinc/87/67/47/372876747.db2.gz CBKNAGOHNMOAHM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635219671 372876753 /nfs/dbraw/zinc/87/67/53/372876753.db2.gz CBKNAGOHNMOAHM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097347 372861269 /nfs/dbraw/zinc/86/12/69/372861269.db2.gz PXMQIKCXZFBJLD-STQMWFEESA-N 1 1 323.459 -1.063 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631740 372888041 /nfs/dbraw/zinc/88/80/41/372888041.db2.gz UGLAVYMQBQDZNT-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)CN1CC[NH+](C)CC1 ZINC000600981087 372888180 /nfs/dbraw/zinc/88/81/80/372888180.db2.gz SCOYAEDEELTFCK-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](CNC(C)=O)C1 ZINC000562945986 372890219 /nfs/dbraw/zinc/89/02/19/372890219.db2.gz KGPMLVXGSHZGJZ-UONOGXRCSA-N 1 1 303.403 -1.238 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000635903855 372900997 /nfs/dbraw/zinc/90/09/97/372900997.db2.gz ZEIZYKXHEKBPMW-LLVKDONJSA-N 1 1 315.370 -1.155 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000635481265 372880995 /nfs/dbraw/zinc/88/09/95/372880995.db2.gz RVXCXXYYQUBWLD-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000635455565 372882414 /nfs/dbraw/zinc/88/24/14/372882414.db2.gz FBXIOENTEHJWFX-GFCCVEGCSA-N 1 1 317.386 -1.316 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000562850371 372885490 /nfs/dbraw/zinc/88/54/90/372885490.db2.gz QVAVDZGHFBBYKH-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000562850371 372885498 /nfs/dbraw/zinc/88/54/98/372885498.db2.gz QVAVDZGHFBBYKH-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630694 372887392 /nfs/dbraw/zinc/88/73/92/372887392.db2.gz WAALXSHHWSUFNY-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631073 372887643 /nfs/dbraw/zinc/88/76/43/372887643.db2.gz FUHRVHHRWCVSQJ-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1=O ZINC000622630565 372887869 /nfs/dbraw/zinc/88/78/69/372887869.db2.gz SRNUCOOUGUVYQV-LBPRGKRZSA-N 1 1 324.381 -1.490 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000626169414 372925495 /nfs/dbraw/zinc/92/54/95/372925495.db2.gz LBBUFICLXQUGSG-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000626169414 372925505 /nfs/dbraw/zinc/92/55/05/372925505.db2.gz LBBUFICLXQUGSG-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000644041040 372914208 /nfs/dbraw/zinc/91/42/08/372914208.db2.gz YXMIOENKBWPRNC-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000644041040 372914214 /nfs/dbraw/zinc/91/42/14/372914214.db2.gz YXMIOENKBWPRNC-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636289023 372916192 /nfs/dbraw/zinc/91/61/92/372916192.db2.gz IJASDGLAXRFOCQ-SNVBAGLBSA-N 1 1 304.416 -1.065 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644069906 372916252 /nfs/dbraw/zinc/91/62/52/372916252.db2.gz WZETZGYOXBKMBO-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636318064 372918717 /nfs/dbraw/zinc/91/87/17/372918717.db2.gz XKGNACQIFRVUHP-UHFFFAOYSA-N 1 1 306.388 -2.232 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CCN(C)CC2)C1 ZINC000636316932 372919363 /nfs/dbraw/zinc/91/93/63/372919363.db2.gz BUUQREKEJCRHJI-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CCN(C)CC2)C1 ZINC000636316932 372919367 /nfs/dbraw/zinc/91/93/67/372919367.db2.gz BUUQREKEJCRHJI-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000636316796 372920069 /nfs/dbraw/zinc/92/00/69/372920069.db2.gz XMIXIZRACMTEEP-SNVBAGLBSA-N 1 1 318.399 -2.090 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000332770919 372922182 /nfs/dbraw/zinc/92/21/82/372922182.db2.gz RCUOPLNXDBUWIV-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636584857 372952505 /nfs/dbraw/zinc/95/25/05/372952505.db2.gz NCTGUZIHGICOAA-UHFFFAOYSA-N 1 1 322.431 -1.102 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCOC2)c(=O)n(C)c1=O ZINC000178763706 372931394 /nfs/dbraw/zinc/93/13/94/372931394.db2.gz VBXGCLZZSZJBQG-SECBINFHSA-N 1 1 310.354 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCOC2)c(=O)n(C)c1=O ZINC000178763706 372931409 /nfs/dbraw/zinc/93/14/09/372931409.db2.gz VBXGCLZZSZJBQG-SECBINFHSA-N 1 1 310.354 -1.183 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000174352928 372931588 /nfs/dbraw/zinc/93/15/88/372931588.db2.gz RTNSRNXHEBABTH-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177999712 372931907 /nfs/dbraw/zinc/93/19/07/372931907.db2.gz VCEGWCHESWTBEC-XLKFXECMSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@](C)(O)C1 ZINC000177999712 372931915 /nfs/dbraw/zinc/93/19/15/372931915.db2.gz VCEGWCHESWTBEC-XLKFXECMSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166514 372936420 /nfs/dbraw/zinc/93/64/20/372936420.db2.gz FQQZQXUQMJBSBK-GUBZILKMSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166514 372936424 /nfs/dbraw/zinc/93/64/24/372936424.db2.gz FQQZQXUQMJBSBK-GUBZILKMSA-N 1 1 324.381 -1.060 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCOC[C@H]2O)CC1 ZINC000636550059 372943476 /nfs/dbraw/zinc/94/34/76/372943476.db2.gz JPOMCBYTXKTWRY-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CN(Cc1cnc[nH]1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000616926885 372949076 /nfs/dbraw/zinc/94/90/76/372949076.db2.gz SZMPCVDIJZGHIR-UHFFFAOYSA-N 1 1 315.399 -1.055 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC(C[NH+]3CCOCC3)C2)nn1 ZINC000590558924 372950243 /nfs/dbraw/zinc/95/02/43/372950243.db2.gz XVPZKNHXZSVCOI-UHFFFAOYSA-N 1 1 323.353 -1.145 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C1 ZINC000364645262 372950332 /nfs/dbraw/zinc/95/03/32/372950332.db2.gz JPQSNPONYDBBGG-QJPTWQEYSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645262 372950339 /nfs/dbraw/zinc/95/03/39/372950339.db2.gz JPQSNPONYDBBGG-QJPTWQEYSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645262 372950347 /nfs/dbraw/zinc/95/03/47/372950347.db2.gz JPQSNPONYDBBGG-QJPTWQEYSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)C1 ZINC000364645262 372950355 /nfs/dbraw/zinc/95/03/55/372950355.db2.gz JPQSNPONYDBBGG-QJPTWQEYSA-N 1 1 315.370 -1.705 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000592105076 372964452 /nfs/dbraw/zinc/96/44/52/372964452.db2.gz SYSIUVMAAFNXLK-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197871 372967430 /nfs/dbraw/zinc/96/74/30/372967430.db2.gz PTNGDGKBPNYRQD-QWRGUYRKSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197871 372967438 /nfs/dbraw/zinc/96/74/38/372967438.db2.gz PTNGDGKBPNYRQD-QWRGUYRKSA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592197268 372967988 /nfs/dbraw/zinc/96/79/88/372967988.db2.gz OZMQLKSNKSNXHX-GUBZILKMSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592197268 372967995 /nfs/dbraw/zinc/96/79/95/372967995.db2.gz OZMQLKSNKSNXHX-GUBZILKMSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccn(C)n1 ZINC000592388883 372969151 /nfs/dbraw/zinc/96/91/51/372969151.db2.gz PHVSSXITNFBNGG-VIFPVBQESA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccn(C)n1 ZINC000592388882 372970120 /nfs/dbraw/zinc/97/01/20/372970120.db2.gz PHVSSXITNFBNGG-SECBINFHSA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000592530307 372971735 /nfs/dbraw/zinc/97/17/35/372971735.db2.gz FRJTZGXFVDXFHM-ONGXEEELSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000592530301 372972208 /nfs/dbraw/zinc/97/22/08/372972208.db2.gz FRJTZGXFVDXFHM-GXSJLCMTSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000592936742 372977642 /nfs/dbraw/zinc/97/76/42/372977642.db2.gz LXYJAGCNPMJNGT-UPJWGTAASA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636619200 372954821 /nfs/dbraw/zinc/95/48/21/372954821.db2.gz XBWFNZDQVASBQT-YPMHNXCESA-N 1 1 310.398 -1.214 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000591084262 372954979 /nfs/dbraw/zinc/95/49/79/372954979.db2.gz OLFPNICOVPAGME-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000591084262 372954985 /nfs/dbraw/zinc/95/49/85/372954985.db2.gz OLFPNICOVPAGME-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1CCCS1(=O)=O ZINC000594444241 372992196 /nfs/dbraw/zinc/99/21/96/372992196.db2.gz MOYJRDTXDXNCEY-UWVGGRQHSA-N 1 1 304.368 -1.073 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000594444242 372992620 /nfs/dbraw/zinc/99/26/20/372992620.db2.gz MOYJRDTXDXNCEY-VHSXEESVSA-N 1 1 304.368 -1.073 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000595339247 372998520 /nfs/dbraw/zinc/99/85/20/372998520.db2.gz VOHTVHMYDLFALG-GARJFASQSA-N 1 1 300.355 -1.034 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000595339247 372998531 /nfs/dbraw/zinc/99/85/31/372998531.db2.gz VOHTVHMYDLFALG-GARJFASQSA-N 1 1 300.355 -1.034 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](CO)[C@H](O)C2)C1=O ZINC000595453786 373000880 /nfs/dbraw/zinc/00/08/80/373000880.db2.gz HAMDNGWMNJCBIG-GRYCIOLGSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000595441557 373001200 /nfs/dbraw/zinc/00/12/00/373001200.db2.gz LUTKPGJZYNQYIA-SRVKXCTJSA-N 1 1 300.355 -1.032 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000595441558 373002164 /nfs/dbraw/zinc/00/21/64/373002164.db2.gz LUTKPGJZYNQYIA-TUAOUCFPSA-N 1 1 300.355 -1.032 20 0 DAADMO COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786352 373002962 /nfs/dbraw/zinc/00/29/62/373002962.db2.gz QAOFKRZAGHFHKT-MIZYBKAJSA-N 1 1 307.368 -1.346 20 0 DAADMO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595786352 373002972 /nfs/dbraw/zinc/00/29/72/373002972.db2.gz QAOFKRZAGHFHKT-MIZYBKAJSA-N 1 1 307.368 -1.346 20 0 DAADMO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000618462496 373003219 /nfs/dbraw/zinc/00/32/19/373003219.db2.gz CKUSEKLPRWEGOL-VIFPVBQESA-N 1 1 316.383 -1.544 20 0 DAADMO COC(=O)CCN1CC[C@H](N(C)CCN2CC[NH2+]CC2)C1=O ZINC000595894960 373003322 /nfs/dbraw/zinc/00/33/22/373003322.db2.gz ZHSHUDBMZGSPFY-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000595948954 373003415 /nfs/dbraw/zinc/00/34/15/373003415.db2.gz UIKPOFMBACVQDS-GFCCVEGCSA-N 1 1 314.386 -1.501 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000595789791 373003485 /nfs/dbraw/zinc/00/34/85/373003485.db2.gz OJQGJDCSVUPPEG-KXUCPTDWSA-N 1 1 319.383 -1.424 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000595789791 373003489 /nfs/dbraw/zinc/00/34/89/373003489.db2.gz OJQGJDCSVUPPEG-KXUCPTDWSA-N 1 1 319.383 -1.424 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCC(=O)NC(N)=O)C[C@H]21 ZINC000595788884 373003654 /nfs/dbraw/zinc/00/36/54/373003654.db2.gz KOZMKCDYLDVSBS-YIZRAAEISA-N 1 1 305.356 -1.685 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@H]21 ZINC000595788884 373003663 /nfs/dbraw/zinc/00/36/63/373003663.db2.gz KOZMKCDYLDVSBS-YIZRAAEISA-N 1 1 305.356 -1.685 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000595951945 373004096 /nfs/dbraw/zinc/00/40/96/373004096.db2.gz WBBYJDFRFXLJKX-ZYHUDNBSSA-N 1 1 312.370 -1.700 20 0 DAADMO COC(=O)CCN1CC[C@@H](N(C)CCN2CC[NH2+]CC2)C1=O ZINC000595894959 373004384 /nfs/dbraw/zinc/00/43/84/373004384.db2.gz ZHSHUDBMZGSPFY-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000595951944 373004589 /nfs/dbraw/zinc/00/45/89/373004589.db2.gz WBBYJDFRFXLJKX-PWSUYJOCSA-N 1 1 312.370 -1.700 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000595943375 373005246 /nfs/dbraw/zinc/00/52/46/373005246.db2.gz NYBFSKWXBSHNAA-LLVKDONJSA-N 1 1 300.359 -1.843 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000595946719 373005844 /nfs/dbraw/zinc/00/58/44/373005844.db2.gz XMQIQBPPZNHMFI-GHMZBOCLSA-N 1 1 314.386 -1.420 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+](C)C1 ZINC000593452688 372982550 /nfs/dbraw/zinc/98/25/50/372982550.db2.gz CILGEYYHGIKRIO-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](C)C1 ZINC000593743924 372984942 /nfs/dbraw/zinc/98/49/42/372984942.db2.gz NZQBHXKPSWPJMW-NXEZZACHSA-N 1 1 319.383 -1.759 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)CC[N@H+](C)C1 ZINC000598791842 373030961 /nfs/dbraw/zinc/03/09/61/373030961.db2.gz CZKIUFGCTUBFBJ-STQMWFEESA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000598791842 373030965 /nfs/dbraw/zinc/03/09/65/373030965.db2.gz CZKIUFGCTUBFBJ-STQMWFEESA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@H+](C)C1 ZINC000598792220 373031232 /nfs/dbraw/zinc/03/12/32/373031232.db2.gz IAFKKYMCHLQUEO-SNVBAGLBSA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC000598792220 373031238 /nfs/dbraw/zinc/03/12/38/373031238.db2.gz IAFKKYMCHLQUEO-SNVBAGLBSA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)CC[N@H+](C)C1 ZINC000598791610 373032905 /nfs/dbraw/zinc/03/29/05/373032905.db2.gz CZKIUFGCTUBFBJ-CHWSQXEVSA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000598791610 373032910 /nfs/dbraw/zinc/03/29/10/373032910.db2.gz CZKIUFGCTUBFBJ-CHWSQXEVSA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)c1cn([C@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)nn1 ZINC000599066412 373035089 /nfs/dbraw/zinc/03/50/89/373035089.db2.gz QHEDFMFJHJTFNM-LURJTMIESA-N 1 1 305.302 -1.474 20 0 DAADMO COC(=O)COCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000598989265 373035312 /nfs/dbraw/zinc/03/53/12/373035312.db2.gz FLGDZGMEJVGTLF-LLVKDONJSA-N 1 1 302.375 -1.279 20 0 DAADMO COC(=O)[C@H]1CN(c2cc(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC000596273943 373013451 /nfs/dbraw/zinc/01/34/51/373013451.db2.gz XMELZCXOMRWDQC-SNVBAGLBSA-N 1 1 310.354 -1.375 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622769 373048520 /nfs/dbraw/zinc/04/85/20/373048520.db2.gz JIALTTVBVWSUOA-OKILXGFUSA-N 1 1 302.371 -1.022 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622769 373048526 /nfs/dbraw/zinc/04/85/26/373048526.db2.gz JIALTTVBVWSUOA-OKILXGFUSA-N 1 1 302.371 -1.022 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000599692565 373050935 /nfs/dbraw/zinc/05/09/35/373050935.db2.gz JZMOOGAIQSHOSD-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000599692565 373050941 /nfs/dbraw/zinc/05/09/41/373050941.db2.gz JZMOOGAIQSHOSD-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000624168246 373060153 /nfs/dbraw/zinc/06/01/53/373060153.db2.gz CYQKVTKZWIWFCM-MRVPVSSYSA-N 1 1 313.387 -1.299 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC000636820748 373069077 /nfs/dbraw/zinc/06/90/77/373069077.db2.gz ZLIWHZFUVRSACX-SNVBAGLBSA-N 1 1 320.415 -1.350 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC000636820746 373069231 /nfs/dbraw/zinc/06/92/31/373069231.db2.gz ZLIWHZFUVRSACX-JTQLQIEISA-N 1 1 320.415 -1.350 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000636773601 373066189 /nfs/dbraw/zinc/06/61/89/373066189.db2.gz DHTXBCDFKMXIPS-UHFFFAOYSA-N 1 1 322.456 -1.022 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000228541838 373067956 /nfs/dbraw/zinc/06/79/56/373067956.db2.gz RFQNJRJOJSXYKJ-UHFFFAOYSA-N 1 1 323.415 -1.274 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531416 373044530 /nfs/dbraw/zinc/04/45/30/373044530.db2.gz XAVXODATWXUANQ-QWRGUYRKSA-N 1 1 302.371 -1.023 20 0 DAADMO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C1 ZINC000599532567 373045342 /nfs/dbraw/zinc/04/53/42/373045342.db2.gz OLSHKCWGBOYHEQ-SRVKXCTJSA-N 1 1 300.355 -1.175 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(Cc3nc(N)nc(N)n3)CC2)C1 ZINC000604389805 373075498 /nfs/dbraw/zinc/07/54/98/373075498.db2.gz USWOJINRECLDMY-NSHDSACASA-N 1 1 306.418 -1.091 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637107953 373079411 /nfs/dbraw/zinc/07/94/11/373079411.db2.gz JBELFYSZKIWYDZ-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000637105892 373079643 /nfs/dbraw/zinc/07/96/43/373079643.db2.gz PKGOPQFBKQVXHS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000637106282 373080016 /nfs/dbraw/zinc/08/00/16/373080016.db2.gz RTPKXRGVWYJDNC-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000365284888 373081691 /nfs/dbraw/zinc/08/16/91/373081691.db2.gz YVYZFXOHZJWSIF-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000637127283 373081729 /nfs/dbraw/zinc/08/17/29/373081729.db2.gz FMLKZWNPTOKQLI-QWRGUYRKSA-N 1 1 322.431 -1.104 20 0 DAADMO C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000637127283 373081734 /nfs/dbraw/zinc/08/17/34/373081734.db2.gz FMLKZWNPTOKQLI-QWRGUYRKSA-N 1 1 322.431 -1.104 20 0 DAADMO CN1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1=O ZINC000637374439 373092281 /nfs/dbraw/zinc/09/22/81/373092281.db2.gz BODITRBYDHJVND-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(=O)OC ZINC000320033684 373092595 /nfs/dbraw/zinc/09/25/95/373092595.db2.gz LFXGYTDGFLYGRR-NURSFMCSSA-N 1 1 315.370 -1.388 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(=O)OC ZINC000320033684 373092599 /nfs/dbraw/zinc/09/25/99/373092599.db2.gz LFXGYTDGFLYGRR-NURSFMCSSA-N 1 1 315.370 -1.388 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CCC[C@@H]1CO)S(C)(=O)=O ZINC000337654201 373104199 /nfs/dbraw/zinc/10/41/99/373104199.db2.gz GQXSFXNZCCSSBE-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+](C)CC(C)(CO)CO ZINC000337725045 373107800 /nfs/dbraw/zinc/10/78/00/373107800.db2.gz YYLBHNKDVXAUFO-UHFFFAOYSA-N 1 1 303.403 -1.106 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000337725045 373107807 /nfs/dbraw/zinc/10/78/07/373107807.db2.gz YYLBHNKDVXAUFO-UHFFFAOYSA-N 1 1 303.403 -1.106 20 0 DAADMO CC(=O)NCC[NH+](CCNC(C)=O)CCN1CCOCC1 ZINC000337879386 373110547 /nfs/dbraw/zinc/11/05/47/373110547.db2.gz QKWLYGVWURQWSC-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)CN1CCOCC1 ZINC000338403938 373113646 /nfs/dbraw/zinc/11/36/46/373113646.db2.gz APQRHVBMTNZRTC-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)CN1CCOCC1 ZINC000338403938 373113652 /nfs/dbraw/zinc/11/36/52/373113652.db2.gz APQRHVBMTNZRTC-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ncnc2[nH]cnc21 ZINC000563208890 373114315 /nfs/dbraw/zinc/11/43/15/373114315.db2.gz FCCNSZSQNDNDPR-JTQLQIEISA-N 1 1 318.385 -1.191 20 0 DAADMO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@H](O)C[NH3+] ZINC000563216340 373114587 /nfs/dbraw/zinc/11/45/87/373114587.db2.gz YXTZEWNEDRENSW-SNVBAGLBSA-N 1 1 324.385 -1.925 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000637542104 373116041 /nfs/dbraw/zinc/11/60/41/373116041.db2.gz VSLCEEOANFVZNE-UHFFFAOYSA-N 1 1 319.431 -1.176 20 0 DAADMO CNc1nc(N[C@@H]2CCC[C@H]2O)[nH+]c(N[C@@H]2CCC[C@H]2O)n1 ZINC000413378535 373154839 /nfs/dbraw/zinc/15/48/39/373154839.db2.gz YOQZVOMLWNUFOW-GWOFURMSSA-N 1 1 308.386 -1.170 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000264549305 373160717 /nfs/dbraw/zinc/16/07/17/373160717.db2.gz OTVFNIGFLURLDO-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000264325217 373160782 /nfs/dbraw/zinc/16/07/82/373160782.db2.gz AQQOBTXSCVXGHT-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO O=S(=O)([C@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376251 373162876 /nfs/dbraw/zinc/16/28/76/373162876.db2.gz IUZXKIDMUUDQRK-RWMBFGLXSA-N 1 1 320.411 -1.128 20 0 DAADMO O=S(=O)([C@H]1CCC[N@H+]([C@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376251 373162878 /nfs/dbraw/zinc/16/28/78/373162878.db2.gz IUZXKIDMUUDQRK-RWMBFGLXSA-N 1 1 320.411 -1.128 20 0 DAADMO COC(=O)[C@H](NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)O ZINC000565422203 373122496 /nfs/dbraw/zinc/12/24/96/373122496.db2.gz NBTXLTDZOWLLLH-FPYNETTCSA-N 1 1 304.387 -1.032 20 0 DAADMO O=C(CO)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534316308 373130250 /nfs/dbraw/zinc/13/02/50/373130250.db2.gz ODCDBOUFMLROFH-OLZOCXBDSA-N 1 1 302.371 -1.321 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCO)C1 ZINC000339726972 373131823 /nfs/dbraw/zinc/13/18/23/373131823.db2.gz ALISBJYMMXWICJ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000339766912 373132849 /nfs/dbraw/zinc/13/28/49/373132849.db2.gz WPVAKBVALVJSGE-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H](C)CO ZINC000410864199 373134145 /nfs/dbraw/zinc/13/41/45/373134145.db2.gz KRCCQVSKYMOBDP-FVCCEPFGSA-N 1 1 313.398 -1.261 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1=O ZINC000563411830 373134337 /nfs/dbraw/zinc/13/43/37/373134337.db2.gz FCCXJVAVGRYXAX-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(N)(=O)=O)CC1 ZINC000565167650 373135647 /nfs/dbraw/zinc/13/56/47/373135647.db2.gz XWNIOQYEAJASQG-LLVKDONJSA-N 1 1 310.420 -2.253 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627470753 373136751 /nfs/dbraw/zinc/13/67/51/373136751.db2.gz YTYPRLCQQXZCRS-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627470753 373136761 /nfs/dbraw/zinc/13/67/61/373136761.db2.gz YTYPRLCQQXZCRS-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1COCCN1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627470753 373136770 /nfs/dbraw/zinc/13/67/70/373136770.db2.gz YTYPRLCQQXZCRS-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN1CCCN(CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000563623071 373140050 /nfs/dbraw/zinc/14/00/50/373140050.db2.gz NODWLINVVXDLHQ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000263260512 373144851 /nfs/dbraw/zinc/14/48/51/373144851.db2.gz SIPMLFTVYXEXHV-DYEKYZERSA-N 1 1 314.430 -1.001 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000575753364 373145226 /nfs/dbraw/zinc/14/52/26/373145226.db2.gz YMPLIFUEOIRHBT-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCCN[C@H]3C2)CC1=O ZINC000571332109 373145297 /nfs/dbraw/zinc/14/52/97/373145297.db2.gz WDVHLLFVRIQOIX-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCN(CC(=O)NCCn2cc[nH+]c2C)C(=O)C1=O ZINC000052191205 373147608 /nfs/dbraw/zinc/14/76/08/373147608.db2.gz CEVKOODLUNBMKJ-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO C[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCNC1=O ZINC000638173175 373210250 /nfs/dbraw/zinc/21/02/50/373210250.db2.gz CRMIBDCRMQQICK-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)N1CCNCC1=O ZINC000638423892 373215852 /nfs/dbraw/zinc/21/58/52/373215852.db2.gz CMAUPOGTUCMLIB-CHWSQXEVSA-N 1 1 309.414 -1.687 20 0 DAADMO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638479897 373222669 /nfs/dbraw/zinc/22/26/69/373222669.db2.gz HJDZWDHPSZVLED-VXGBXAGGSA-N 1 1 311.386 -2.121 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000072869183 373183877 /nfs/dbraw/zinc/18/38/77/373183877.db2.gz DMVBWTAQOHIOMV-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000072869183 373183880 /nfs/dbraw/zinc/18/38/80/373183880.db2.gz DMVBWTAQOHIOMV-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278543519 373187436 /nfs/dbraw/zinc/18/74/36/373187436.db2.gz AKEZCDZKSPOORO-KBPBESRZSA-N 1 1 321.377 -1.072 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)CCCCCO)c(=O)n(C)c1=O ZINC000278779233 373190379 /nfs/dbraw/zinc/19/03/79/373190379.db2.gz CYQZAVHAEDEMGA-UHFFFAOYSA-N 1 1 312.370 -1.057 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)CCCCCO)c(=O)n(C)c1=O ZINC000278779233 373190388 /nfs/dbraw/zinc/19/03/88/373190388.db2.gz CYQZAVHAEDEMGA-UHFFFAOYSA-N 1 1 312.370 -1.057 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000279356073 373190747 /nfs/dbraw/zinc/19/07/47/373190747.db2.gz VXECWJCGMDANQW-HNNXBMFYSA-N 1 1 320.349 -1.066 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000279356073 373190752 /nfs/dbraw/zinc/19/07/52/373190752.db2.gz VXECWJCGMDANQW-HNNXBMFYSA-N 1 1 320.349 -1.066 20 0 DAADMO CC1=C(C(=O)N2CC[NH+](CCO)CC2)Cn2nnnc2N1C ZINC000280766896 373195933 /nfs/dbraw/zinc/19/59/33/373195933.db2.gz BMPLBNITJRTDLT-UHFFFAOYSA-N 1 1 307.358 -1.467 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)n(C)c1=O ZINC000280490408 373195985 /nfs/dbraw/zinc/19/59/85/373195985.db2.gz BBRUREBNBRSHIQ-CQSZACIVSA-N 1 1 323.353 -1.954 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)n(C)c1=O ZINC000280490408 373195988 /nfs/dbraw/zinc/19/59/88/373195988.db2.gz BBRUREBNBRSHIQ-CQSZACIVSA-N 1 1 323.353 -1.954 20 0 DAADMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000282064520 373203496 /nfs/dbraw/zinc/20/34/96/373203496.db2.gz BQGIOPAJVZBYCA-OIBJUYFYSA-N 1 1 323.353 -2.037 20 0 DAADMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000282064522 373203678 /nfs/dbraw/zinc/20/36/78/373203678.db2.gz BQGIOPAJVZBYCA-XCBNKYQSSA-N 1 1 323.353 -2.037 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2ccnc2)C1 ZINC000283262617 373205724 /nfs/dbraw/zinc/20/57/24/373205724.db2.gz FFZVLWIWUHFDQW-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2ccnc2)C1 ZINC000283262619 373206318 /nfs/dbraw/zinc/20/63/18/373206318.db2.gz FFZVLWIWUHFDQW-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)[C@H](C)N2CCNCC2=O)C[C@@H]1C ZINC000638105253 373208446 /nfs/dbraw/zinc/20/84/46/373208446.db2.gz GAWSKXZCQKZMOQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCN(C(=O)[C@H](C)N2CCNCC2=O)C[C@@H]1C ZINC000638105253 373208456 /nfs/dbraw/zinc/20/84/56/373208456.db2.gz GAWSKXZCQKZMOQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000340172311 373208690 /nfs/dbraw/zinc/20/86/90/373208690.db2.gz DGPCBVUAXGHYNH-CQSZACIVSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000340172308 373208834 /nfs/dbraw/zinc/20/88/34/373208834.db2.gz DGPCBVUAXGHYNH-AWEZNQCLSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)[C@H](C)N2CCNCC2=O)C[C@H]1C ZINC000638105250 373208938 /nfs/dbraw/zinc/20/89/38/373208938.db2.gz GAWSKXZCQKZMOQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCN(C(=O)[C@H](C)N2CCNCC2=O)C[C@H]1C ZINC000638105250 373208942 /nfs/dbraw/zinc/20/89/42/373208942.db2.gz GAWSKXZCQKZMOQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(=O)n(C)c1=O ZINC000329056836 373272578 /nfs/dbraw/zinc/27/25/78/373272578.db2.gz YCABWRMPJTXQDL-QWHCGFSZSA-N 1 1 308.382 -1.011 20 0 DAADMO Cn1c(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc(=O)n(C)c1=O ZINC000329056837 373272805 /nfs/dbraw/zinc/27/28/05/373272805.db2.gz YCABWRMPJTXQDL-STQMWFEESA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(NC[C@@]1(OCCO)CCOC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000617709093 373277029 /nfs/dbraw/zinc/27/70/29/373277029.db2.gz PSDNUXQVIKZWDD-ZFWWWQNUSA-N 1 1 313.398 -1.340 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000340469056 373229786 /nfs/dbraw/zinc/22/97/86/373229786.db2.gz YGZXISGSKPDGGH-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)C ZINC000340460221 373230801 /nfs/dbraw/zinc/23/08/01/373230801.db2.gz MINOLYMGBKXIDJ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC000617710220 373277630 /nfs/dbraw/zinc/27/76/30/373277630.db2.gz IEMLJDKBQFSQRC-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC000617710220 373277642 /nfs/dbraw/zinc/27/76/42/373277642.db2.gz IEMLJDKBQFSQRC-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000617414766 373238021 /nfs/dbraw/zinc/23/80/21/373238021.db2.gz QBUJYGLCVLARDA-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000341715355 373241152 /nfs/dbraw/zinc/24/11/52/373241152.db2.gz FTPFNWYTNHFMSS-NWDGAFQWSA-N 1 1 321.385 -1.458 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000342321843 373243018 /nfs/dbraw/zinc/24/30/18/373243018.db2.gz QLEDCXWRRGYDJL-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cccn2)C1 ZINC000342904344 373247546 /nfs/dbraw/zinc/24/75/46/373247546.db2.gz VUAWPJZXANTKJF-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)C1=O ZINC000328936350 373252042 /nfs/dbraw/zinc/25/20/42/373252042.db2.gz FWZJVPBVWRDAHC-ABAIWWIYSA-N 1 1 321.381 -1.267 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000186604892 373261825 /nfs/dbraw/zinc/26/18/25/373261825.db2.gz KXPZZVNHCJKKMO-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198394 373261995 /nfs/dbraw/zinc/26/19/95/373261995.db2.gz QUBDKTMFQLTBJE-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198394 373262003 /nfs/dbraw/zinc/26/20/03/373262003.db2.gz QUBDKTMFQLTBJE-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H](O)C3)c2c(=O)n(C)c1=O ZINC000263860850 373262091 /nfs/dbraw/zinc/26/20/91/373262091.db2.gz IIMFYHTXIPCIMZ-SNVBAGLBSA-N 1 1 307.354 -1.110 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000583503991 373265300 /nfs/dbraw/zinc/26/53/00/373265300.db2.gz YXPTVSRYPQZCEH-UHFFFAOYSA-N 1 1 308.404 -2.139 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)N1CCNC(=O)C1 ZINC000536545363 373265966 /nfs/dbraw/zinc/26/59/66/373265966.db2.gz LBDZXHMWHDQAJP-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cnccn1 ZINC000535721146 373267778 /nfs/dbraw/zinc/26/77/78/373267778.db2.gz UGWQJCOLIJYQBF-CYBMUJFWSA-N 1 1 318.381 -1.288 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC000329034690 373271034 /nfs/dbraw/zinc/27/10/34/373271034.db2.gz QVBSESXJCFINNQ-MNOVXSKESA-N 1 1 308.338 -1.120 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639852005 373287841 /nfs/dbraw/zinc/28/78/41/373287841.db2.gz QPTLEZHQBTZKJU-RYUDHWBXSA-N 1 1 310.416 -1.240 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639852005 373287846 /nfs/dbraw/zinc/28/78/46/373287846.db2.gz QPTLEZHQBTZKJU-RYUDHWBXSA-N 1 1 310.416 -1.240 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639854935 373288798 /nfs/dbraw/zinc/28/87/98/373288798.db2.gz KRUGQDREFYJLOU-SMDDNHRTSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639854935 373288807 /nfs/dbraw/zinc/28/88/07/373288807.db2.gz KRUGQDREFYJLOU-SMDDNHRTSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2=O)cn1 ZINC000626461113 373293338 /nfs/dbraw/zinc/29/33/38/373293338.db2.gz OSATWEWPVVNPIL-ABAIWWIYSA-N 1 1 321.381 -1.044 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000626473407 373294231 /nfs/dbraw/zinc/29/42/31/373294231.db2.gz OBHGVXMCTDFRMM-LLVKDONJSA-N 1 1 310.358 -1.183 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000626517494 373296528 /nfs/dbraw/zinc/29/65/28/373296528.db2.gz NPDIFWOSVIVYLK-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1cn[nH]c1=O)N1CC[NH+](C)CC1 ZINC000180576461 373301386 /nfs/dbraw/zinc/30/13/86/373301386.db2.gz RNFCEVZETBICQL-LBPRGKRZSA-N 1 1 310.402 -1.040 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945844 373305102 /nfs/dbraw/zinc/30/51/02/373305102.db2.gz YDUKZYUGXSLLDU-DFBGVHRSSA-N 1 1 313.398 -1.090 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943653 373305161 /nfs/dbraw/zinc/30/51/61/373305161.db2.gz CJNSMPQUBSRVLW-HONMWMINSA-N 1 1 300.355 -1.005 20 0 DAADMO COCCN1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000191697748 373305195 /nfs/dbraw/zinc/30/51/95/373305195.db2.gz WHASXSGTDOPHLU-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO COCCN1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000191697748 373305202 /nfs/dbraw/zinc/30/52/02/373305202.db2.gz WHASXSGTDOPHLU-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCN2C1=O ZINC000610605703 373306960 /nfs/dbraw/zinc/30/69/60/373306960.db2.gz VTQZDIMSFIQUMQ-SECBINFHSA-N 1 1 311.342 -1.070 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945846 373307428 /nfs/dbraw/zinc/30/74/28/373307428.db2.gz YDUKZYUGXSLLDU-TUKIKUTGSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C(=O)N(C)C ZINC000639947610 373307514 /nfs/dbraw/zinc/30/75/14/373307514.db2.gz WBYYVAHHDOTQIO-ZWZTZDBGSA-N 1 1 324.381 -1.436 20 0 DAADMO COCCOC[C@@H](O)C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051071 373310019 /nfs/dbraw/zinc/31/00/19/373310019.db2.gz FSLTWWORENNNDZ-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051071 373310023 /nfs/dbraw/zinc/31/00/23/373310023.db2.gz FSLTWWORENNNDZ-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CN(CCS(=O)(=O)N(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051768 373310224 /nfs/dbraw/zinc/31/02/24/373310224.db2.gz ZKIKUEQJMUFSEO-UHFFFAOYSA-N 1 1 306.432 -1.416 20 0 DAADMO COCCOC[C@H](O)C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051070 373310343 /nfs/dbraw/zinc/31/03/43/373310343.db2.gz FSLTWWORENNNDZ-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051070 373310349 /nfs/dbraw/zinc/31/03/49/373310349.db2.gz FSLTWWORENNNDZ-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO CNC(=O)NC[C@@H]1COCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000640104182 373311620 /nfs/dbraw/zinc/31/16/20/373311620.db2.gz CFNBDVODXLZTRD-OLZOCXBDSA-N 1 1 318.418 -1.445 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000640085377 373312446 /nfs/dbraw/zinc/31/24/46/373312446.db2.gz FMKHABGWOVDPGD-NXEZZACHSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000640085377 373312453 /nfs/dbraw/zinc/31/24/53/373312453.db2.gz FMKHABGWOVDPGD-NXEZZACHSA-N 1 1 318.399 -1.060 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000610926848 373314048 /nfs/dbraw/zinc/31/40/48/373314048.db2.gz OCLBKZLSUQXLHE-MWLCHTKSSA-N 1 1 311.342 -1.100 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000610926848 373314056 /nfs/dbraw/zinc/31/40/56/373314056.db2.gz OCLBKZLSUQXLHE-MWLCHTKSSA-N 1 1 311.342 -1.100 20 0 DAADMO Cn1c2c(ccn2CC(=O)N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000035514984 373318140 /nfs/dbraw/zinc/31/81/40/373318140.db2.gz SGWDWUQJXLGUHS-UHFFFAOYSA-N 1 1 319.365 -1.187 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000419359281 373321255 /nfs/dbraw/zinc/32/12/55/373321255.db2.gz QCGZUINDYYYGIS-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000419359281 373321257 /nfs/dbraw/zinc/32/12/57/373321257.db2.gz QCGZUINDYYYGIS-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1=O ZINC000626587196 373322524 /nfs/dbraw/zinc/32/25/24/373322524.db2.gz GAFKJZVFGOREPV-UHFFFAOYSA-N 1 1 312.370 -1.205 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2nc[nH]n2)CC1 ZINC000639722391 373283207 /nfs/dbraw/zinc/28/32/07/373283207.db2.gz ZVHITNTWZMRKNW-CYBMUJFWSA-N 1 1 312.418 -1.139 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722391 373283215 /nfs/dbraw/zinc/28/32/15/373283215.db2.gz ZVHITNTWZMRKNW-CYBMUJFWSA-N 1 1 312.418 -1.139 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722391 373283225 /nfs/dbraw/zinc/28/32/25/373283225.db2.gz ZVHITNTWZMRKNW-CYBMUJFWSA-N 1 1 312.418 -1.139 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000385605398 373331246 /nfs/dbraw/zinc/33/12/46/373331246.db2.gz HOBBTWLJBCMRNZ-OLZOCXBDSA-N 1 1 321.443 -1.355 20 0 DAADMO Cn1nc2c(cc1=O)C[N@@H+](CCC(=O)N1CCNCC1)CC2 ZINC000262221288 373333760 /nfs/dbraw/zinc/33/37/60/373333760.db2.gz UPIZFKHVAADVAD-UHFFFAOYSA-N 1 1 305.382 -1.040 20 0 DAADMO Cn1nc2c(cc1=O)C[N@H+](CCC(=O)N1CCNCC1)CC2 ZINC000262221288 373333764 /nfs/dbraw/zinc/33/37/64/373333764.db2.gz UPIZFKHVAADVAD-UHFFFAOYSA-N 1 1 305.382 -1.040 20 0 DAADMO CN(CC(=O)NC(=O)NC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522608 373334272 /nfs/dbraw/zinc/33/42/72/373334272.db2.gz LEOWWUNAXVTCML-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO C[NH2+][C@H](C(=O)N(C)CC(=O)N1CCOCC1)c1cnn(C)c1 ZINC000262011116 373334616 /nfs/dbraw/zinc/33/46/16/373334616.db2.gz BYWFYMPRMVJEMD-ZDUSSCGKSA-N 1 1 309.370 -1.002 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627456219 373352275 /nfs/dbraw/zinc/35/22/75/373352275.db2.gz FBZKBQDIOOWPPE-QNWHQSFQSA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000612669439 373357862 /nfs/dbraw/zinc/35/78/62/373357862.db2.gz GUUJRQTVPXRUHU-JOLIMNQDSA-N 1 1 300.355 -1.766 20 0 DAADMO C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000612669439 373357873 /nfs/dbraw/zinc/35/78/73/373357873.db2.gz GUUJRQTVPXRUHU-JOLIMNQDSA-N 1 1 300.355 -1.766 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000612523284 373357994 /nfs/dbraw/zinc/35/79/94/373357994.db2.gz OPYLUECCOHHYBB-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000612551044 373358145 /nfs/dbraw/zinc/35/81/45/373358145.db2.gz LILDUUYGACYVDO-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCS(N)(=O)=O)CC1 ZINC000612535016 373358358 /nfs/dbraw/zinc/35/83/58/373358358.db2.gz CGXNATNPIDMZLZ-UHFFFAOYSA-N 1 1 321.403 -2.262 20 0 DAADMO C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000612669448 373359054 /nfs/dbraw/zinc/35/90/54/373359054.db2.gz GUUJRQTVPXRUHU-ZYJFBCHUSA-N 1 1 300.355 -1.766 20 0 DAADMO C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669448 373359058 /nfs/dbraw/zinc/35/90/58/373359058.db2.gz GUUJRQTVPXRUHU-ZYJFBCHUSA-N 1 1 300.355 -1.766 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000612679054 373361407 /nfs/dbraw/zinc/36/14/07/373361407.db2.gz LWQKSPDOAQSXCE-LLVKDONJSA-N 1 1 308.386 -1.120 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000629805356 373408671 /nfs/dbraw/zinc/40/86/71/373408671.db2.gz YNACDKXILMMJCY-QWHCGFSZSA-N 1 1 312.414 -1.027 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000629805354 373409183 /nfs/dbraw/zinc/40/91/83/373409183.db2.gz YNACDKXILMMJCY-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000629805998 373409679 /nfs/dbraw/zinc/40/96/79/373409679.db2.gz RAFPNBUCXFLJMQ-NWDGAFQWSA-N 1 1 314.386 -2.303 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)ccn1 ZINC000629915207 373413020 /nfs/dbraw/zinc/41/30/20/373413020.db2.gz FALVHUGJAWREDX-JTQLQIEISA-N 1 1 314.367 -1.475 20 0 DAADMO O=C(Cn1nnc2ccccc2c1=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629910620 373414303 /nfs/dbraw/zinc/41/43/03/373414303.db2.gz CVFMECUGBZWCIQ-NSHDSACASA-N 1 1 317.349 -1.026 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629177239 373382935 /nfs/dbraw/zinc/38/29/35/373382935.db2.gz DGAGJEONBXEXOB-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(CC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ncnc2nc[nH]c21 ZINC000629175301 373383422 /nfs/dbraw/zinc/38/34/22/373383422.db2.gz LKFJFBAOAJSABY-SNVBAGLBSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ncnc2[nH]cnc21 ZINC000629175301 373383429 /nfs/dbraw/zinc/38/34/29/373383429.db2.gz LKFJFBAOAJSABY-SNVBAGLBSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ncnc2[nH]cnc21 ZINC000629175301 373383436 /nfs/dbraw/zinc/38/34/36/373383436.db2.gz LKFJFBAOAJSABY-SNVBAGLBSA-N 1 1 319.369 -1.028 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[C@@H](O)C2)CC1=O ZINC000629173947 373383569 /nfs/dbraw/zinc/38/35/69/373383569.db2.gz LLISRGCUCCIGHN-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2=O)cn1 ZINC000629166051 373384184 /nfs/dbraw/zinc/38/41/84/373384184.db2.gz QJIYGJSISPFJOU-WCQYABFASA-N 1 1 321.381 -1.044 20 0 DAADMO Cn1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(=O)n(C)c1=O ZINC000640337093 373384238 /nfs/dbraw/zinc/38/42/38/373384238.db2.gz RESQKUHFBOSWMG-SNVBAGLBSA-N 1 1 323.353 -1.633 20 0 DAADMO Cn1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(=O)n(C)c1=O ZINC000640337093 373384249 /nfs/dbraw/zinc/38/42/49/373384249.db2.gz RESQKUHFBOSWMG-SNVBAGLBSA-N 1 1 323.353 -1.633 20 0 DAADMO O=C(Cn1nnc2ccccc2c1=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629178067 373384281 /nfs/dbraw/zinc/38/42/81/373384281.db2.gz CVFMECUGBZWCIQ-LLVKDONJSA-N 1 1 317.349 -1.026 20 0 DAADMO Cn1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(=O)n(C)c1=O ZINC000640332783 373384680 /nfs/dbraw/zinc/38/46/80/373384680.db2.gz PTVYHPMCSKAHHM-SNVBAGLBSA-N 1 1 324.385 -1.549 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629170737 373384814 /nfs/dbraw/zinc/38/48/14/373384814.db2.gz XWLOZSLUJHKMFU-DOMZBBRYSA-N 1 1 309.366 -1.218 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000629339479 373386769 /nfs/dbraw/zinc/38/67/69/373386769.db2.gz CNMZDJRAMXGPGG-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629522400 373389148 /nfs/dbraw/zinc/38/91/48/373389148.db2.gz ZCSOVDBPCSOLKD-UHFFFAOYSA-N 1 1 301.372 -1.202 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000629528434 373390791 /nfs/dbraw/zinc/39/07/91/373390791.db2.gz ZCUBOCFDWQKCFP-UHFFFAOYSA-N 1 1 304.416 -1.065 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@H]3C[C@@]3(O)C1)c(=O)n2C ZINC000640480478 373393544 /nfs/dbraw/zinc/39/35/44/373393544.db2.gz HGVJIQWPZLEJFV-MEBBXXQBSA-N 1 1 319.365 -1.110 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3C[C@]3(O)C1)c(=O)n2C ZINC000640480477 373393636 /nfs/dbraw/zinc/39/36/36/373393636.db2.gz HGVJIQWPZLEJFV-BONVTDFDSA-N 1 1 319.365 -1.110 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640475931 373394029 /nfs/dbraw/zinc/39/40/29/373394029.db2.gz GACXXIIRFTXUNG-IUODEOHRSA-N 1 1 310.398 -1.715 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629536811 373395248 /nfs/dbraw/zinc/39/52/48/373395248.db2.gz LFFWOXNYKXEOHR-NSHDSACASA-N 1 1 320.415 -1.686 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629536811 373395257 /nfs/dbraw/zinc/39/52/57/373395257.db2.gz LFFWOXNYKXEOHR-NSHDSACASA-N 1 1 320.415 -1.686 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000629535860 373395650 /nfs/dbraw/zinc/39/56/50/373395650.db2.gz HNIHTASIKDYMOD-UHFFFAOYSA-N 1 1 319.431 -2.159 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)C1 ZINC000629568348 373397296 /nfs/dbraw/zinc/39/72/96/373397296.db2.gz JQKPMJKOWBMLBJ-QWRGUYRKSA-N 1 1 305.400 -1.285 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629573324 373397841 /nfs/dbraw/zinc/39/78/41/373397841.db2.gz FIXYTJQMMXKKDI-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629573325 373397929 /nfs/dbraw/zinc/39/79/29/373397929.db2.gz FIXYTJQMMXKKDI-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629568756 373398121 /nfs/dbraw/zinc/39/81/21/373398121.db2.gz WNWGWCVJRWCHLB-LLVKDONJSA-N 1 1 316.383 -1.032 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629614904 373400341 /nfs/dbraw/zinc/40/03/41/373400341.db2.gz KCQLDUKGEUAOQR-LBPRGKRZSA-N 1 1 306.432 -1.478 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629614901 373401250 /nfs/dbraw/zinc/40/12/50/373401250.db2.gz KCQLDUKGEUAOQR-GFCCVEGCSA-N 1 1 306.432 -1.478 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000631925316 373439824 /nfs/dbraw/zinc/43/98/24/373439824.db2.gz SPMUEGUEQKIGJQ-UHFFFAOYSA-N 1 1 318.399 -1.058 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642222691 373439940 /nfs/dbraw/zinc/43/99/40/373439940.db2.gz VZJKANLVHYZVSS-NWDGAFQWSA-N 1 1 300.403 -1.077 20 0 DAADMO COCCN1CC[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000623794537 373442004 /nfs/dbraw/zinc/44/20/04/373442004.db2.gz XTJJTSCFNSBVRT-NSHDSACASA-N 1 1 306.432 -1.213 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000613331227 373445047 /nfs/dbraw/zinc/44/50/47/373445047.db2.gz ZIZKSZBSHNBPGG-GHMZBOCLSA-N 1 1 304.416 -1.065 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613331230 373446210 /nfs/dbraw/zinc/44/62/10/373446210.db2.gz ZIZKSZBSHNBPGG-MNOVXSKESA-N 1 1 304.416 -1.065 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614514041 373482666 /nfs/dbraw/zinc/48/26/66/373482666.db2.gz YFMCIWNMTQFBFG-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO [NH3+]C/C=C/CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627092913 373450773 /nfs/dbraw/zinc/45/07/73/373450773.db2.gz FVFZNJIVLMJEGO-OWOJBTEDSA-N 1 1 310.402 -1.146 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090930 373461399 /nfs/dbraw/zinc/46/13/99/373461399.db2.gz RZZJTRPLZALDLH-ONGXEEELSA-N 1 1 320.415 -1.688 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090930 373461405 /nfs/dbraw/zinc/46/14/05/373461405.db2.gz RZZJTRPLZALDLH-ONGXEEELSA-N 1 1 320.415 -1.688 20 0 DAADMO Cc1cc(N2CC[C@@H](Nc3nc(N)nc(N)[nH+]3)C2=O)n(C)n1 ZINC000624004104 373462482 /nfs/dbraw/zinc/46/24/82/373462482.db2.gz VYIMLIQALRFPGW-SSDOTTSWSA-N 1 1 303.330 -1.622 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C1 ZINC000613656624 373464810 /nfs/dbraw/zinc/46/48/10/373464810.db2.gz ROKSUUAWDYEHDW-QWRGUYRKSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C1 ZINC000613656624 373464818 /nfs/dbraw/zinc/46/48/18/373464818.db2.gz ROKSUUAWDYEHDW-QWRGUYRKSA-N 1 1 308.386 -1.122 20 0 DAADMO COCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000054355428 373465411 /nfs/dbraw/zinc/46/54/11/373465411.db2.gz XCNICDPSNSJXCA-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO COCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000054355428 373465422 /nfs/dbraw/zinc/46/54/22/373465422.db2.gz XCNICDPSNSJXCA-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC1 ZINC000613670954 373466464 /nfs/dbraw/zinc/46/64/64/373466464.db2.gz HDNDKGPZPMVRCJ-WDEREUQCSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000613672763 373467004 /nfs/dbraw/zinc/46/70/04/373467004.db2.gz XBLOYHUCJXNFRN-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[N@@H+]1CCO ZINC000613696715 373467706 /nfs/dbraw/zinc/46/77/06/373467706.db2.gz WBXMISBVPJWFGC-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[C@@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[N@H+]1CCO ZINC000613696715 373467719 /nfs/dbraw/zinc/46/77/19/373467719.db2.gz WBXMISBVPJWFGC-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000613672817 373467777 /nfs/dbraw/zinc/46/77/77/373467777.db2.gz YPJCDILOYWWGOT-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000613692922 373467850 /nfs/dbraw/zinc/46/78/50/373467850.db2.gz AHFWJAVMHWLBTO-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000613692922 373467855 /nfs/dbraw/zinc/46/78/55/373467855.db2.gz AHFWJAVMHWLBTO-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO CC1(C)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@@H+]1CCO ZINC000613778104 373468826 /nfs/dbraw/zinc/46/88/26/373468826.db2.gz SKFYYWNMMRXUOI-JHJVBQTASA-N 1 1 314.382 -1.686 20 0 DAADMO CC1(C)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC[N@H+]1CCO ZINC000613778104 373468833 /nfs/dbraw/zinc/46/88/33/373468833.db2.gz SKFYYWNMMRXUOI-JHJVBQTASA-N 1 1 314.382 -1.686 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614505059 373482134 /nfs/dbraw/zinc/48/21/34/373482134.db2.gz IJJROYKLSGIHMZ-OLZOCXBDSA-N 1 1 312.414 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614506451 373482365 /nfs/dbraw/zinc/48/23/65/373482365.db2.gz YBDDUSJYAPLPTB-SNVBAGLBSA-N 1 1 305.404 -2.454 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000614512352 373482545 /nfs/dbraw/zinc/48/25/45/373482545.db2.gz PZWBSNCBFALPPU-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1=O ZINC000627262333 373491350 /nfs/dbraw/zinc/49/13/50/373491350.db2.gz LZKLKKAPTZVBFK-OLZOCXBDSA-N 1 1 310.398 -1.572 20 0 DAADMO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)c1ncnc2[nH]cnc21 ZINC000614854343 373495247 /nfs/dbraw/zinc/49/52/47/373495247.db2.gz NHCRWTFZIUFVIE-SECBINFHSA-N 1 1 307.358 -1.172 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@H]12 ZINC000539812150 373495421 /nfs/dbraw/zinc/49/54/21/373495421.db2.gz KIGMLIHJFDKRBD-QJPTWQEYSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@H]12 ZINC000539812150 373495428 /nfs/dbraw/zinc/49/54/28/373495428.db2.gz KIGMLIHJFDKRBD-QJPTWQEYSA-N 1 1 313.354 -1.221 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000541814145 373498898 /nfs/dbraw/zinc/49/88/98/373498898.db2.gz RLOMUTDQMQYBJG-KBPBESRZSA-N 1 1 311.430 -1.042 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1nc2n(n1)CCCN2 ZINC000614938243 373501558 /nfs/dbraw/zinc/50/15/58/373501558.db2.gz YWMXLRDYWJLGIY-UHFFFAOYSA-N 1 1 309.418 -1.036 20 0 DAADMO CN(CCCNC(=O)c1nc2n(n1)CCCN2)CC[NH+](C)C ZINC000614938243 373501568 /nfs/dbraw/zinc/50/15/68/373501568.db2.gz YWMXLRDYWJLGIY-UHFFFAOYSA-N 1 1 309.418 -1.036 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615141689 373506156 /nfs/dbraw/zinc/50/61/56/373506156.db2.gz OXBCXZSQHHRXMU-UHFFFAOYSA-N 1 1 306.388 -2.169 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000615276144 373509534 /nfs/dbraw/zinc/50/95/34/373509534.db2.gz PWQUHPUIBBEHKQ-UTUOFQBUSA-N 1 1 317.411 -1.000 20 0 DAADMO CNc1nc(C)cc(C(=O)N=c2nc(N3CC[NH2+]CC3)[nH][nH]2)n1 ZINC000567830692 373535579 /nfs/dbraw/zinc/53/55/79/373535579.db2.gz PZXXQBHLUZWHHT-UHFFFAOYSA-N 1 1 317.357 -1.549 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CN2CCOCC2)CC1 ZINC000554485573 373511485 /nfs/dbraw/zinc/51/14/85/373511485.db2.gz VAGXHMCBOOAAKW-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CCS(=O)(=O)N1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000572539004 373511815 /nfs/dbraw/zinc/51/18/15/373511815.db2.gz QZFRCMYJNGHKLM-CYBMUJFWSA-N 1 1 323.459 -1.107 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129170 373517790 /nfs/dbraw/zinc/51/77/90/373517790.db2.gz VQPBWNYQXKLLFP-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129170 373517793 /nfs/dbraw/zinc/51/77/93/373517793.db2.gz VQPBWNYQXKLLFP-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129171 373518802 /nfs/dbraw/zinc/51/88/02/373518802.db2.gz VQPBWNYQXKLLFP-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129171 373518807 /nfs/dbraw/zinc/51/88/07/373518807.db2.gz VQPBWNYQXKLLFP-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 ZINC000615347473 373522073 /nfs/dbraw/zinc/52/20/73/373522073.db2.gz CYLWKJDOYDWLQG-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165618 373522291 /nfs/dbraw/zinc/52/22/91/373522291.db2.gz PJPGADNHOMMMOW-RYUDHWBXSA-N 1 1 309.432 -1.322 20 0 DAADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2cn[nH]c2=O)CC1 ZINC000153354829 373525413 /nfs/dbraw/zinc/52/54/13/373525413.db2.gz KGFQMVKCSRHISG-NSHDSACASA-N 1 1 322.369 -1.664 20 0 DAADMO NS(=O)(=O)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000566364646 373528333 /nfs/dbraw/zinc/52/83/33/373528333.db2.gz XZMXXFPIZWHRKG-JTQLQIEISA-N 1 1 305.400 -1.230 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000566481805 373530166 /nfs/dbraw/zinc/53/01/66/373530166.db2.gz QHNONACPUABYSH-MFKMUULPSA-N 1 1 303.359 -1.118 20 0 DAADMO [NH3+]CC(F)(F)CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000566568365 373530372 /nfs/dbraw/zinc/53/03/72/373530372.db2.gz MKJICJNVLOGPSD-UHFFFAOYSA-N 1 1 318.324 -1.080 20 0 DAADMO CC1(C(N)=O)C[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000566618139 373531107 /nfs/dbraw/zinc/53/11/07/373531107.db2.gz SVEYCLVPTYEWBG-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCNC(C)=O ZINC000566972504 373531147 /nfs/dbraw/zinc/53/11/47/373531147.db2.gz DXJZGGOLOWSGBF-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614505088 373483007 /nfs/dbraw/zinc/48/30/07/373483007.db2.gz JDIFDCVSKAATLJ-VXGBXAGGSA-N 1 1 318.443 -1.180 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000529722932 373486222 /nfs/dbraw/zinc/48/62/22/373486222.db2.gz ASMRBUAHPSMOLT-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000529722932 373486229 /nfs/dbraw/zinc/48/62/29/373486229.db2.gz ASMRBUAHPSMOLT-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000577957539 373579493 /nfs/dbraw/zinc/57/94/93/373579493.db2.gz XNQGQIKYJYCLQU-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000577957539 373579503 /nfs/dbraw/zinc/57/95/03/373579503.db2.gz XNQGQIKYJYCLQU-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578784355 373588020 /nfs/dbraw/zinc/58/80/20/373588020.db2.gz IOQGVNSXSZQPMC-WYUUTHIRSA-N 1 1 319.427 -1.715 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC000579120284 373589321 /nfs/dbraw/zinc/58/93/21/373589321.db2.gz LLLCYMLALPDUMZ-LLVKDONJSA-N 1 1 308.338 -1.007 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC000579120284 373589328 /nfs/dbraw/zinc/58/93/28/373589328.db2.gz LLLCYMLALPDUMZ-LLVKDONJSA-N 1 1 308.338 -1.007 20 0 DAADMO COCC1(C(=O)N(C)CC(=O)N2CCNCC2)CC[NH2+]CC1 ZINC000579348027 373589529 /nfs/dbraw/zinc/58/95/29/373589529.db2.gz XOHMTZNIRLMKQH-UHFFFAOYSA-N 1 1 312.414 -1.107 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1=O ZINC000567839057 373537097 /nfs/dbraw/zinc/53/70/97/373537097.db2.gz QNPYXWDKFJVVQS-LLVKDONJSA-N 1 1 322.369 -1.995 20 0 DAADMO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000567573562 373537420 /nfs/dbraw/zinc/53/74/20/373537420.db2.gz QCXRTFSKHCASQX-LLVKDONJSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000569045596 373548267 /nfs/dbraw/zinc/54/82/67/373548267.db2.gz BIECJNPJJLXOEE-NTZNESFSSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000569045596 373548272 /nfs/dbraw/zinc/54/82/72/373548272.db2.gz BIECJNPJJLXOEE-NTZNESFSSA-N 1 1 313.398 -1.213 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000569197977 373549060 /nfs/dbraw/zinc/54/90/60/373549060.db2.gz MUVRFSTUUMEDBK-RYUDHWBXSA-N 1 1 308.382 -1.160 20 0 DAADMO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)C[NH3+] ZINC000579957513 373594904 /nfs/dbraw/zinc/59/49/04/373594904.db2.gz CNNWSSZOBKJORZ-CYBMUJFWSA-N 1 1 322.413 -1.233 20 0 DAADMO CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H](O)C[NH3+] ZINC000579957513 373594916 /nfs/dbraw/zinc/59/49/16/373594916.db2.gz CNNWSSZOBKJORZ-CYBMUJFWSA-N 1 1 322.413 -1.233 20 0 DAADMO CC(CO)(CO)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574163134 373559374 /nfs/dbraw/zinc/55/93/74/373559374.db2.gz LERAFOLLJXHAQT-LLVKDONJSA-N 1 1 316.402 -1.384 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000171128822 373564790 /nfs/dbraw/zinc/56/47/90/373564790.db2.gz FJLDHPDSJBGLRY-UHFFFAOYSA-N 1 1 322.369 -1.176 20 0 DAADMO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC000575760452 373564975 /nfs/dbraw/zinc/56/49/75/373564975.db2.gz OWFWDIBWNDKMQZ-LBPRGKRZSA-N 1 1 314.367 -1.324 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(S(C)(=O)=O)n2)C1 ZINC000575760452 373564984 /nfs/dbraw/zinc/56/49/84/373564984.db2.gz OWFWDIBWNDKMQZ-LBPRGKRZSA-N 1 1 314.367 -1.324 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000575877106 373567346 /nfs/dbraw/zinc/56/73/46/373567346.db2.gz CLVQZRHJQWOGPF-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000575877106 373567353 /nfs/dbraw/zinc/56/73/53/373567353.db2.gz CLVQZRHJQWOGPF-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000576943264 373570107 /nfs/dbraw/zinc/57/01/07/373570107.db2.gz DEQDFDGNKBJQQQ-QWHCGFSZSA-N 1 1 303.403 -1.502 20 0 DAADMO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000580552847 373570826 /nfs/dbraw/zinc/57/08/26/373570826.db2.gz CCRUKTMSNAOUFN-HUUCEWRRSA-N 1 1 300.447 -1.095 20 0 DAADMO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC000580552848 373570975 /nfs/dbraw/zinc/57/09/75/373570975.db2.gz CCRUKTMSNAOUFN-LSDHHAIUSA-N 1 1 300.447 -1.095 20 0 DAADMO C[N@H+]1CC[C@@H]2CN([C@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694868 373572599 /nfs/dbraw/zinc/57/25/99/373572599.db2.gz QBTYHINEYYWHSR-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H]2C[N@@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694868 373572610 /nfs/dbraw/zinc/57/26/10/373572610.db2.gz QBTYHINEYYWHSR-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H]2C[N@H+]([C@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694868 373572616 /nfs/dbraw/zinc/57/26/16/373572616.db2.gz QBTYHINEYYWHSR-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)CN[C@@H]1C(=O)NCC[C@H]1C ZINC000577344894 373573243 /nfs/dbraw/zinc/57/32/43/373573243.db2.gz QXACEZBLAWPPIE-VEGXAWMVSA-N 1 1 312.414 -1.424 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000577288933 373574678 /nfs/dbraw/zinc/57/46/78/373574678.db2.gz LMPPQCFDNKVDEZ-NSHDSACASA-N 1 1 319.431 -2.112 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)C[C@H](C)[N@H+]1CCO ZINC000615863241 373621948 /nfs/dbraw/zinc/62/19/48/373621948.db2.gz GPXOZCNVXWXWCT-PHIMTYICSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)C[C@H](C)[N@@H+]1CCO ZINC000615863241 373621954 /nfs/dbraw/zinc/62/19/54/373621954.db2.gz GPXOZCNVXWXWCT-PHIMTYICSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616155050 373627791 /nfs/dbraw/zinc/62/77/91/373627791.db2.gz ICFZNBYKSPZHGZ-OJAKKHQRSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616155050 373627795 /nfs/dbraw/zinc/62/77/95/373627795.db2.gz ICFZNBYKSPZHGZ-OJAKKHQRSA-N 1 1 300.355 -2.076 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000616158183 373628792 /nfs/dbraw/zinc/62/87/92/373628792.db2.gz XCYPZKVATMRRPZ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000616158183 373628801 /nfs/dbraw/zinc/62/88/01/373628801.db2.gz XCYPZKVATMRRPZ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000616158548 373630494 /nfs/dbraw/zinc/63/04/94/373630494.db2.gz YTQIUNLTZUYOMV-MNOVXSKESA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000616158548 373630502 /nfs/dbraw/zinc/63/05/02/373630502.db2.gz YTQIUNLTZUYOMV-MNOVXSKESA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000618675310 373632568 /nfs/dbraw/zinc/63/25/68/373632568.db2.gz DRQFIPJICYCVKS-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000618675310 373632579 /nfs/dbraw/zinc/63/25/79/373632579.db2.gz DRQFIPJICYCVKS-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000066665891 373650789 /nfs/dbraw/zinc/65/07/89/373650789.db2.gz HGOCHVDGWFCWNS-QWHCGFSZSA-N 1 1 321.443 -1.307 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1=O ZINC000579977526 373597840 /nfs/dbraw/zinc/59/78/40/373597840.db2.gz FKMZYSPHZIYADG-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000581953056 373609150 /nfs/dbraw/zinc/60/91/50/373609150.db2.gz DFZCDTLHXSVALJ-SECBINFHSA-N 1 1 303.384 -1.171 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000581953057 373609481 /nfs/dbraw/zinc/60/94/81/373609481.db2.gz DFZCDTLHXSVALJ-VIFPVBQESA-N 1 1 303.384 -1.171 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615535930 373609666 /nfs/dbraw/zinc/60/96/66/373609666.db2.gz QHRJXCCBWUEZQK-NSHDSACASA-N 1 1 320.415 -1.637 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615657610 373611330 /nfs/dbraw/zinc/61/13/30/373611330.db2.gz VOOHQWPEBFWEJV-AAVRWANBSA-N 1 1 314.382 -1.638 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615657611 373611377 /nfs/dbraw/zinc/61/13/77/373611377.db2.gz VOOHQWPEBFWEJV-REWJHTLYSA-N 1 1 314.382 -1.638 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1nc2n(n1)CCCN2 ZINC000615656709 373611550 /nfs/dbraw/zinc/61/15/50/373611550.db2.gz HVYIIKCIDWNGBL-NSHDSACASA-N 1 1 308.386 -1.072 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000615657073 373612034 /nfs/dbraw/zinc/61/20/34/373612034.db2.gz LXUFJPPPXDMJSL-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(N)=O ZINC000047496185 373618994 /nfs/dbraw/zinc/61/89/94/373618994.db2.gz HONVBIKEXWDFGJ-UHFFFAOYSA-N 1 1 306.370 -1.068 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000632214059 373709182 /nfs/dbraw/zinc/70/91/82/373709182.db2.gz QMJDWJRYJUTANF-VXGBXAGGSA-N 1 1 307.416 -1.697 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000632187600 373709530 /nfs/dbraw/zinc/70/95/30/373709530.db2.gz CYKSDRQWOBWCGW-VIFPVBQESA-N 1 1 316.383 -1.354 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000632214364 373709669 /nfs/dbraw/zinc/70/96/69/373709669.db2.gz YXPBEPLFYVUOAB-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO CO[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192396227 781961676 /nfs/dbraw/zinc/96/16/76/781961676.db2.gz KQVMMKKBIFAFRE-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO Cn1ccc(N2CCC[C@@H](Nc3nc(N)nc(N)[nH+]3)C2=O)n1 ZINC000624002171 373661796 /nfs/dbraw/zinc/66/17/96/373661796.db2.gz XQUMPDSBTYDNEN-SSDOTTSWSA-N 1 1 303.330 -1.540 20 0 DAADMO NC(=O)c1ccccc1N1CC[C@@H](Nc2nc(N)nc(N)[nH+]2)C1 ZINC000623964464 373661849 /nfs/dbraw/zinc/66/18/49/373661849.db2.gz IGXYURFKAZXULI-MRVPVSSYSA-N 1 1 314.353 -1.092 20 0 DAADMO Nc1nc(N)[nH+]c(NCCS(=O)(=O)NCC2CCC2)n1 ZINC000623959311 373661982 /nfs/dbraw/zinc/66/19/82/373661982.db2.gz MZLHNASQOHSEPK-UHFFFAOYSA-N 1 1 301.376 -1.750 20 0 DAADMO Nc1nc(N)[nH+]c(NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000623869987 373662007 /nfs/dbraw/zinc/66/20/07/373662007.db2.gz MLQDSAIBWLGZQY-UHFFFAOYSA-N 1 1 305.346 -1.685 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000623829924 373663148 /nfs/dbraw/zinc/66/31/48/373663148.db2.gz YPLLEQJEQSCMDT-SECBINFHSA-N 1 1 307.358 -1.228 20 0 DAADMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2nc(N)nc(N)n2)C1 ZINC000624046724 373665382 /nfs/dbraw/zinc/66/53/82/373665382.db2.gz IZODURBOWDXEOC-ZCFIWIBFSA-N 1 1 308.375 -1.214 20 0 DAADMO CN1C(=O)N[C@@]2(CCC[C@H]2CNc2nc(N)nc(N)[nH+]2)C1=O ZINC000624018643 373665553 /nfs/dbraw/zinc/66/55/53/373665553.db2.gz VUIRFUFTJJOTET-PWCHPLFNSA-N 1 1 306.330 -1.749 20 0 DAADMO CN(c1nc(N)nc(N)[nH+]1)C1CCN(S(C)(=O)=O)CC1 ZINC000624034495 373666065 /nfs/dbraw/zinc/66/60/65/373666065.db2.gz RNYHQACTQBZVBM-UHFFFAOYSA-N 1 1 301.376 -1.443 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Nc1nc(N)nc(N)[nH+]1 ZINC000624187939 373667462 /nfs/dbraw/zinc/66/74/62/373667462.db2.gz QMBTXVFPPVERSW-BQBZGAKWSA-N 1 1 301.376 -1.752 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624212377 373668425 /nfs/dbraw/zinc/66/84/25/373668425.db2.gz FXKKTKZWYLKXEJ-JGVFFNPUSA-N 1 1 315.403 -1.361 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@](O)(C(=O)N3CCCC3)C2)n1 ZINC000624207088 373668785 /nfs/dbraw/zinc/66/87/85/373668785.db2.gz QZWDQIUHUAQTJE-CYBMUJFWSA-N 1 1 307.358 -1.350 20 0 DAADMO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627357849 373669742 /nfs/dbraw/zinc/66/97/42/373669742.db2.gz SFLKSILMRYXMJG-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627357849 373669751 /nfs/dbraw/zinc/66/97/51/373669751.db2.gz SFLKSILMRYXMJG-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CC1(N2CCOCC2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000627407255 373674601 /nfs/dbraw/zinc/67/46/01/373674601.db2.gz LVQOWJMGXDRBIN-UHFFFAOYSA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470474 373682464 /nfs/dbraw/zinc/68/24/64/373682464.db2.gz STSVUYKEGFHSFI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470474 373682466 /nfs/dbraw/zinc/68/24/66/373682466.db2.gz STSVUYKEGFHSFI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627472301 373682589 /nfs/dbraw/zinc/68/25/89/373682589.db2.gz MURHVHYCNYBZNS-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476481 373684285 /nfs/dbraw/zinc/68/42/85/373684285.db2.gz GBUAMHWEPBHBMK-QNWHQSFQSA-N 1 1 310.398 -1.480 20 0 DAADMO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627474335 373684850 /nfs/dbraw/zinc/68/48/50/373684850.db2.gz LUOQMFNBRPPHJB-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476479 373684921 /nfs/dbraw/zinc/68/49/21/373684921.db2.gz GBUAMHWEPBHBMK-FVCCEPFGSA-N 1 1 310.398 -1.480 20 0 DAADMO CCS(=O)(=O)NCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631736900 373694544 /nfs/dbraw/zinc/69/45/44/373694544.db2.gz BEIRLSGIAOUDBY-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ncnn2C)CC1=O ZINC000631530220 373695166 /nfs/dbraw/zinc/69/51/66/373695166.db2.gz VQQHQSVCVFVSTF-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC000631282456 373695472 /nfs/dbraw/zinc/69/54/72/373695472.db2.gz UVKOODFMYRNOAQ-UHFFFAOYSA-N 1 1 303.384 -1.689 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000631887750 373697248 /nfs/dbraw/zinc/69/72/48/373697248.db2.gz QFVZCJDXVBOVSP-LLVKDONJSA-N 1 1 321.385 -1.103 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000631887750 373697252 /nfs/dbraw/zinc/69/72/52/373697252.db2.gz QFVZCJDXVBOVSP-LLVKDONJSA-N 1 1 321.385 -1.103 20 0 DAADMO O=S(=O)(C[C@H]1CNCCO1)NCCCN1CC[NH2+]CC1 ZINC000631900062 373697608 /nfs/dbraw/zinc/69/76/08/373697608.db2.gz GOMICHQBGHHGHI-GFCCVEGCSA-N 1 1 306.432 -1.811 20 0 DAADMO COCC1(CNS(=O)(=O)C[C@H]2CNCCO2)CC[NH2+]CC1 ZINC000631937057 373702829 /nfs/dbraw/zinc/70/28/29/373702829.db2.gz SGCLPHMLMMXEHK-GFCCVEGCSA-N 1 1 321.443 -1.090 20 0 DAADMO O=S(=O)(C[C@@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631938180 373704024 /nfs/dbraw/zinc/70/40/24/373704024.db2.gz WZMGKGLLZBJTBT-OLZOCXBDSA-N 1 1 318.443 -1.716 20 0 DAADMO O=S(=O)(C[C@H]1CNCCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631938181 373704302 /nfs/dbraw/zinc/70/43/02/373704302.db2.gz WZMGKGLLZBJTBT-QWHCGFSZSA-N 1 1 318.443 -1.716 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632551565 373721892 /nfs/dbraw/zinc/72/18/92/373721892.db2.gz DQNPOCCSALBEIJ-ZJUUUORDSA-N 1 1 314.429 -1.331 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538543 373722418 /nfs/dbraw/zinc/72/24/18/373722418.db2.gz PADPJIQBCMLYMD-YNEHKIRRSA-N 1 1 319.427 -1.602 20 0 DAADMO CNS(=O)(=O)CCCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632661496 373724706 /nfs/dbraw/zinc/72/47/06/373724706.db2.gz CLFQEYJGEZFJPO-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001192391626 781962180 /nfs/dbraw/zinc/96/21/80/781962180.db2.gz NUTKEIOYFJUYCR-OUAUKWLOSA-N 1 1 312.370 -2.048 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001192391626 781962189 /nfs/dbraw/zinc/96/21/89/781962189.db2.gz NUTKEIOYFJUYCR-OUAUKWLOSA-N 1 1 312.370 -2.048 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000633473108 373732529 /nfs/dbraw/zinc/73/25/29/373732529.db2.gz QCMBMKHRZIJDMN-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000633473108 373732540 /nfs/dbraw/zinc/73/25/40/373732540.db2.gz QCMBMKHRZIJDMN-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001192468181 781963582 /nfs/dbraw/zinc/96/35/82/781963582.db2.gz UJEULWBFLQYWGD-MVWJERBFSA-N 1 1 324.385 -1.819 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001192437522 781965189 /nfs/dbraw/zinc/96/51/89/781965189.db2.gz DQTZFPJNRIXLIL-VXGBXAGGSA-N 1 1 324.385 -1.808 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001192437522 781965196 /nfs/dbraw/zinc/96/51/96/781965196.db2.gz DQTZFPJNRIXLIL-VXGBXAGGSA-N 1 1 324.385 -1.808 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192444523 781965936 /nfs/dbraw/zinc/96/59/36/781965936.db2.gz LVGHXPPCZVWHTG-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192443839 781966151 /nfs/dbraw/zinc/96/61/51/781966151.db2.gz DAIOQRHYQYTUBP-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001192463574 781967740 /nfs/dbraw/zinc/96/77/40/781967740.db2.gz WTFNUMJUASVIKN-GMTAPVOTSA-N 1 1 322.369 -1.937 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001192463526 781967872 /nfs/dbraw/zinc/96/78/72/781967872.db2.gz UXQRTLNPPSSMQO-OPRDCNLKSA-N 1 1 321.324 -1.292 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001192463526 781967882 /nfs/dbraw/zinc/96/78/82/781967882.db2.gz UXQRTLNPPSSMQO-OPRDCNLKSA-N 1 1 321.324 -1.292 20 0 DAADMO COC(=O)c1ncccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001192507779 781969025 /nfs/dbraw/zinc/96/90/25/781969025.db2.gz LXMASPIJMPUOHR-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000106394693 194206721 /nfs/dbraw/zinc/20/67/21/194206721.db2.gz UXHZPQNMJBIKIV-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001192547563 781969491 /nfs/dbraw/zinc/96/94/91/781969491.db2.gz RWCVVTDPAHRZNR-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCOCC1 ZINC001192555051 781969707 /nfs/dbraw/zinc/96/97/07/781969707.db2.gz DXYAFEQHJOANBZ-BFHYXJOUSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCOCC1 ZINC001192555051 781969715 /nfs/dbraw/zinc/96/97/15/781969715.db2.gz DXYAFEQHJOANBZ-BFHYXJOUSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192545968 781971161 /nfs/dbraw/zinc/97/11/61/781971161.db2.gz APISJLYMOZQSGX-YNEHKIRRSA-N 1 1 311.386 -1.010 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000645950431 545788293 /nfs/dbraw/zinc/78/82/93/545788293.db2.gz QGLQXUVFIJOISY-CYBMUJFWSA-N 1 1 311.430 -1.310 20 0 DAADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000645950431 545788298 /nfs/dbraw/zinc/78/82/98/545788298.db2.gz QGLQXUVFIJOISY-CYBMUJFWSA-N 1 1 311.430 -1.310 20 0 DAADMO COCCCOC1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420153933 269708685 /nfs/dbraw/zinc/70/86/85/269708685.db2.gz RDACVUOXWUHPJD-UHFFFAOYSA-N 1 1 309.313 -1.040 20 0 DAADMO Cc1ccnn1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192586793 781972996 /nfs/dbraw/zinc/97/29/96/781972996.db2.gz WCDRVCJIMCCXBF-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1ccnn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192586793 781973004 /nfs/dbraw/zinc/97/30/04/781973004.db2.gz WCDRVCJIMCCXBF-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192591105 781973321 /nfs/dbraw/zinc/97/33/21/781973321.db2.gz OXJHCPROSPCBIP-OUAUKWLOSA-N 1 1 301.343 -1.319 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192591480 781973618 /nfs/dbraw/zinc/97/36/18/781973618.db2.gz SKBGFDWSYJNVQX-OUAUKWLOSA-N 1 1 301.343 -1.317 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192597423 781974062 /nfs/dbraw/zinc/97/40/62/781974062.db2.gz SPLPHXCTTFRGJP-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192591062 781974176 /nfs/dbraw/zinc/97/41/76/781974176.db2.gz OGJJCZFYAMAUQB-GMTAPVOTSA-N 1 1 301.343 -1.317 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192598026 781974218 /nfs/dbraw/zinc/97/42/18/781974218.db2.gz ZDCNNVSLHKOECJ-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001192657390 781975857 /nfs/dbraw/zinc/97/58/57/781975857.db2.gz KRMUYLLUJKPFMY-VXGBXAGGSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001192657390 781975864 /nfs/dbraw/zinc/97/58/64/781975864.db2.gz KRMUYLLUJKPFMY-VXGBXAGGSA-N 1 1 313.358 -1.918 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192677417 781976579 /nfs/dbraw/zinc/97/65/79/781976579.db2.gz ZSNOAFXJIVGTEW-GHMZBOCLSA-N 1 1 318.374 -2.524 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)C(N)=O ZINC001192695893 781978387 /nfs/dbraw/zinc/97/83/87/781978387.db2.gz ISGBJCVLQPBQHC-ZJUUUORDSA-N 1 1 313.358 -2.616 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)C(N)=O ZINC001192695893 781978395 /nfs/dbraw/zinc/97/83/95/781978395.db2.gz ISGBJCVLQPBQHC-ZJUUUORDSA-N 1 1 313.358 -2.616 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192785802 781980679 /nfs/dbraw/zinc/98/06/79/781980679.db2.gz ZDOHODKRWOMZDM-JHJVBQTASA-N 1 1 312.370 -1.869 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192826812 781984030 /nfs/dbraw/zinc/98/40/30/781984030.db2.gz UGZSNEFHBTXJHD-LLVKDONJSA-N 1 1 324.381 -1.340 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(O)CCC2)C1 ZINC001192797183 781982314 /nfs/dbraw/zinc/98/23/14/781982314.db2.gz OHIPAAHIEFNNOK-QJPTWQEYSA-N 1 1 302.371 -1.540 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001192785804 781982550 /nfs/dbraw/zinc/98/25/50/781982550.db2.gz ZDOHODKRWOMZDM-YNEHKIRRSA-N 1 1 312.370 -1.869 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001192759044 781982660 /nfs/dbraw/zinc/98/26/60/781982660.db2.gz NRBVXMVOQYSVHJ-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192826812 781984040 /nfs/dbraw/zinc/98/40/40/781984040.db2.gz UGZSNEFHBTXJHD-LLVKDONJSA-N 1 1 324.381 -1.340 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827321 781983411 /nfs/dbraw/zinc/98/34/11/781983411.db2.gz WASZJENRXYPOIY-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827321 781983417 /nfs/dbraw/zinc/98/34/17/781983417.db2.gz WASZJENRXYPOIY-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192826813 781983664 /nfs/dbraw/zinc/98/36/64/781983664.db2.gz UGZSNEFHBTXJHD-NSHDSACASA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192826813 781983669 /nfs/dbraw/zinc/98/36/69/781983669.db2.gz UGZSNEFHBTXJHD-NSHDSACASA-N 1 1 324.381 -1.340 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192838263 781984919 /nfs/dbraw/zinc/98/49/19/781984919.db2.gz XGIMYTSSOPRBJQ-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192838263 781984926 /nfs/dbraw/zinc/98/49/26/781984926.db2.gz XGIMYTSSOPRBJQ-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001192875134 781984950 /nfs/dbraw/zinc/98/49/50/781984950.db2.gz BLPHJNRAGDWLCX-LBPRGKRZSA-N 1 1 324.381 -1.158 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001192889198 781986283 /nfs/dbraw/zinc/98/62/83/781986283.db2.gz SPOUOTKRDMWAAN-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001192889198 781986292 /nfs/dbraw/zinc/98/62/92/781986292.db2.gz SPOUOTKRDMWAAN-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193015766 781993640 /nfs/dbraw/zinc/99/36/40/781993640.db2.gz LYGSLDAGKIPSFK-RKDXNWHRSA-N 1 1 320.300 -1.884 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193015766 781993643 /nfs/dbraw/zinc/99/36/43/781993643.db2.gz LYGSLDAGKIPSFK-RKDXNWHRSA-N 1 1 320.300 -1.884 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001192915576 781987735 /nfs/dbraw/zinc/98/77/35/781987735.db2.gz DSLMCDPEQOQDMK-NXEZZACHSA-N 1 1 324.403 -3.122 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)N1CCCCC1=O ZINC001192942522 781988001 /nfs/dbraw/zinc/98/80/01/781988001.db2.gz CXIQTCWSGWFQGE-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001192930924 781988283 /nfs/dbraw/zinc/98/82/83/781988283.db2.gz DCWGEUDUPIXKEE-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001192916982 781988523 /nfs/dbraw/zinc/98/85/23/781988523.db2.gz WIGDOYFBPCPSPV-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001192924519 781988691 /nfs/dbraw/zinc/98/86/91/781988691.db2.gz JULMRSOTYDPRLK-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001192942684 781988774 /nfs/dbraw/zinc/98/87/74/781988774.db2.gz FPFUYPMYGOMKQW-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001192924261 781989224 /nfs/dbraw/zinc/98/92/24/781989224.db2.gz FHUMRQUALLBLMC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192931412 781989677 /nfs/dbraw/zinc/98/96/77/781989677.db2.gz IYKZZHIDMDWPLS-MGPQQGTHSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001192931412 781989683 /nfs/dbraw/zinc/98/96/83/781989683.db2.gz IYKZZHIDMDWPLS-MGPQQGTHSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933311 781990479 /nfs/dbraw/zinc/99/04/79/781990479.db2.gz HPOCREGWXJVWNQ-BDAKNGLRSA-N 1 1 323.357 -1.205 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933480 781990631 /nfs/dbraw/zinc/99/06/31/781990631.db2.gz JAHILDYBYVCHHT-YUMQZZPRSA-N 1 1 309.330 -1.466 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192986717 781990666 /nfs/dbraw/zinc/99/06/66/781990666.db2.gz HVFKMDVEHZWEHC-SFYZADRCSA-N 1 1 310.314 -1.201 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001192989445 781991586 /nfs/dbraw/zinc/99/15/86/781991586.db2.gz WGGUHVXUHXGTEW-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001192989445 781991595 /nfs/dbraw/zinc/99/15/95/781991595.db2.gz WGGUHVXUHXGTEW-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933476 781991608 /nfs/dbraw/zinc/99/16/08/781991608.db2.gz JAHILDYBYVCHHT-HTQZYQBOSA-N 1 1 309.330 -1.466 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193016283 781992132 /nfs/dbraw/zinc/99/21/32/781992132.db2.gz XZDRNPBAISVINW-IVZWLZJFSA-N 1 1 300.319 -3.158 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193029467 781993323 /nfs/dbraw/zinc/99/33/23/781993323.db2.gz ZPRDIUSTKIIZND-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977236 781993724 /nfs/dbraw/zinc/99/37/24/781993724.db2.gz KDZJYTIBSAIDNR-QMMMGPOBSA-N 1 1 310.314 -1.329 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977236 781993735 /nfs/dbraw/zinc/99/37/35/781993735.db2.gz KDZJYTIBSAIDNR-QMMMGPOBSA-N 1 1 310.314 -1.329 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193029468 781993794 /nfs/dbraw/zinc/99/37/94/781993794.db2.gz ZPRDIUSTKIIZND-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)NCCN2CCNC(=O)C2)n1C ZINC000272652861 130050249 /nfs/dbraw/zinc/05/02/49/130050249.db2.gz AWGLUFGUROLPHY-UHFFFAOYSA-N 1 1 323.401 -1.283 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670177978 545797194 /nfs/dbraw/zinc/79/71/94/545797194.db2.gz WWUYMUGKIQKSOB-UHFFFAOYSA-N 1 1 322.431 -1.320 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C1 ZINC000275265202 130301541 /nfs/dbraw/zinc/30/15/41/130301541.db2.gz RYCNDJOQIOMZCS-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000284451572 131081730 /nfs/dbraw/zinc/08/17/30/131081730.db2.gz UJSPFADGNKMKCX-NWDGAFQWSA-N 1 1 310.398 -1.029 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284594688 131095402 /nfs/dbraw/zinc/09/54/02/131095402.db2.gz PGTZLNLBACMAAO-ZWNOBZJWSA-N 1 1 310.358 -1.051 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284594685 131095547 /nfs/dbraw/zinc/09/55/47/131095547.db2.gz PGTZLNLBACMAAO-MFKMUULPSA-N 1 1 310.358 -1.051 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000285270771 131152406 /nfs/dbraw/zinc/15/24/06/131152406.db2.gz NEYOKFTXFVKYFF-VHSXEESVSA-N 1 1 324.337 -1.662 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000285715812 131195145 /nfs/dbraw/zinc/19/51/45/131195145.db2.gz ATYCMCRSUFZWEJ-SNVBAGLBSA-N 1 1 307.354 -1.003 20 0 DAADMO OC[C@H](O)CNc1nc(NC[C@H](O)CO)[nH+]c2c1SCC2 ZINC000286233290 131225650 /nfs/dbraw/zinc/22/56/50/131225650.db2.gz OHCBENVTDDSHHM-SFYZADRCSA-N 1 1 316.383 -1.345 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000287824266 131302369 /nfs/dbraw/zinc/30/23/69/131302369.db2.gz BTZYZBFXIGNMDV-NSHDSACASA-N 1 1 324.385 -1.153 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCn1cccc1 ZINC000287890333 131304890 /nfs/dbraw/zinc/30/48/90/131304890.db2.gz GHLOACANBWOJRH-CYBMUJFWSA-N 1 1 307.398 -1.034 20 0 DAADMO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000299615064 132113232 /nfs/dbraw/zinc/11/32/32/132113232.db2.gz YVEGUULGLTZWFY-UHFFFAOYSA-N 1 1 313.383 -1.163 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cccn1)[C@@H]1C[N@H+](C)CCO1 ZINC000671352855 545809356 /nfs/dbraw/zinc/80/93/56/545809356.db2.gz RBOOXICHBRTVQX-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671352855 545809362 /nfs/dbraw/zinc/80/93/62/545809362.db2.gz RBOOXICHBRTVQX-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001193094941 781995917 /nfs/dbraw/zinc/99/59/17/781995917.db2.gz ADYGXTWTQQORHM-SFTQSGBHSA-N 1 1 300.355 -1.807 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001193094941 781995928 /nfs/dbraw/zinc/99/59/28/781995928.db2.gz ADYGXTWTQQORHM-SFTQSGBHSA-N 1 1 300.355 -1.807 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193156504 781996584 /nfs/dbraw/zinc/99/65/84/781996584.db2.gz FAIZNATXYRUNPX-HBNTYKKESA-N 1 1 305.350 -1.342 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193141620 781996821 /nfs/dbraw/zinc/99/68/21/781996821.db2.gz RFVUFFAWTYDCDH-VXGBXAGGSA-N 1 1 308.338 -2.035 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001193141381 781996848 /nfs/dbraw/zinc/99/68/48/781996848.db2.gz OYWDQEWNRQZZRJ-ZIAGYGMSSA-N 1 1 324.381 -1.058 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001193141886 781996873 /nfs/dbraw/zinc/99/68/73/781996873.db2.gz WRPYLTRYMALSRS-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023043 545812122 /nfs/dbraw/zinc/81/21/22/545812122.db2.gz SHDDHTTYNHOLEQ-RWMBFGLXSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)CO1 ZINC000656064535 545813184 /nfs/dbraw/zinc/81/31/84/545813184.db2.gz XTGHTWPFGIPHIW-ZDEQEGDKSA-N 1 1 311.382 -1.100 20 0 DAADMO C[C@@H]1COCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656077721 545815443 /nfs/dbraw/zinc/81/54/43/545815443.db2.gz UUXYLMFVDJVUCU-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001193141905 781997040 /nfs/dbraw/zinc/99/70/40/781997040.db2.gz XERDWZWYHWDWKM-GMTAPVOTSA-N 1 1 307.416 -1.116 20 0 DAADMO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656101976 545815869 /nfs/dbraw/zinc/81/58/69/545815869.db2.gz AGAOUAMHVIAODQ-FRRDWIJNSA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001193157033 781997189 /nfs/dbraw/zinc/99/71/89/781997189.db2.gz JWHUEZXHTFUPCA-RAIGVLPGSA-N 1 1 322.365 -1.647 20 0 DAADMO O=C(NCC1CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656298131 545820642 /nfs/dbraw/zinc/82/06/42/545820642.db2.gz AWKHLVRPUDRSMP-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H](C(=O)N[C@H](CO)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385518 545823675 /nfs/dbraw/zinc/82/36/75/545823675.db2.gz LMPDXKZXNJIEGY-KBPBESRZSA-N 1 1 314.430 -1.568 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@H](O)C2)CC[N@@H+]1CCO ZINC000657527004 545823778 /nfs/dbraw/zinc/82/37/78/545823778.db2.gz MSFUDUJRQCMLGZ-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@H](O)C2)CC[N@H+]1CCO ZINC000657527004 545823783 /nfs/dbraw/zinc/82/37/83/545823783.db2.gz MSFUDUJRQCMLGZ-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193148301 781997812 /nfs/dbraw/zinc/99/78/12/781997812.db2.gz PTLKUAVVNKJSQJ-YUSALJHKSA-N 1 1 319.427 -1.115 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](CCO)CCN1CCOCC1 ZINC000361954165 545828429 /nfs/dbraw/zinc/82/84/29/545828429.db2.gz WQJQYDCZBONDKH-UHFFFAOYSA-N 1 1 309.432 -1.448 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](CCO)CCN1CCOCC1 ZINC000361954165 545828438 /nfs/dbraw/zinc/82/84/38/545828438.db2.gz WQJQYDCZBONDKH-UHFFFAOYSA-N 1 1 309.432 -1.448 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193205709 781998662 /nfs/dbraw/zinc/99/86/62/781998662.db2.gz UYQKMCPVOJORFL-MNOVXSKESA-N 1 1 324.385 -1.262 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)n[nH]2)[C@H]2NCN[C@@H]21 ZINC001193304806 782000195 /nfs/dbraw/zinc/00/01/95/782000195.db2.gz IJOYNRPALPBBKL-BWZBUEFSSA-N 1 1 316.163 -1.695 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001193303947 782000255 /nfs/dbraw/zinc/00/02/55/782000255.db2.gz GCFRMVIWJKGTPA-IACUBPJLSA-N 1 1 324.381 -1.124 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327856 782000623 /nfs/dbraw/zinc/00/06/23/782000623.db2.gz SIVWXCWCDPQLJE-IJLUTSLNSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327856 782000630 /nfs/dbraw/zinc/00/06/30/782000630.db2.gz SIVWXCWCDPQLJE-IJLUTSLNSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327855 782000729 /nfs/dbraw/zinc/00/07/29/782000729.db2.gz SIVWXCWCDPQLJE-GRYCIOLGSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327855 782000734 /nfs/dbraw/zinc/00/07/34/782000734.db2.gz SIVWXCWCDPQLJE-GRYCIOLGSA-N 1 1 324.385 -1.517 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnnn2-c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001193436707 782001240 /nfs/dbraw/zinc/00/12/40/782001240.db2.gz WMTTUBHDRVUPEJ-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373246 782001570 /nfs/dbraw/zinc/00/15/70/782001570.db2.gz LYWQXGXALIVKGB-BDAKNGLRSA-N 1 1 323.357 -1.537 20 0 DAADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001193400647 782003369 /nfs/dbraw/zinc/00/33/69/782003369.db2.gz ZUAPLWRCKACAGR-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373809 782003496 /nfs/dbraw/zinc/00/34/96/782003496.db2.gz OJYBFQMKFOTVQR-QMMMGPOBSA-N 1 1 309.330 -1.925 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373809 782003503 /nfs/dbraw/zinc/00/35/03/782003503.db2.gz OJYBFQMKFOTVQR-QMMMGPOBSA-N 1 1 309.330 -1.925 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001193481879 782004368 /nfs/dbraw/zinc/00/43/68/782004368.db2.gz IAEWBTCDGOAOTN-IJLUTSLNSA-N 1 1 317.386 -1.713 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193465578 782005613 /nfs/dbraw/zinc/00/56/13/782005613.db2.gz WCAIKQUFXZQKNG-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193461174 782005628 /nfs/dbraw/zinc/00/56/28/782005628.db2.gz FXCFJEARRAYBQM-SNVBAGLBSA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193461174 782005636 /nfs/dbraw/zinc/00/56/36/782005636.db2.gz FXCFJEARRAYBQM-SNVBAGLBSA-N 1 1 322.369 -1.310 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1)OC ZINC001193535342 782006128 /nfs/dbraw/zinc/00/61/28/782006128.db2.gz JQCKZGXPCQKMSL-GMTAPVOTSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001193535439 782006197 /nfs/dbraw/zinc/00/61/97/782006197.db2.gz LBGARYGNGJLPLU-VXGBXAGGSA-N 1 1 324.385 -1.947 20 0 DAADMO CN([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488965 782006857 /nfs/dbraw/zinc/00/68/57/782006857.db2.gz QRXHCUDEIJXWRX-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193499835 782006932 /nfs/dbraw/zinc/00/69/32/782006932.db2.gz LOANTJWIOLNPOT-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544432 782007051 /nfs/dbraw/zinc/00/70/51/782007051.db2.gz LVWNJEJIIUHTKN-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CN([C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001193488960 782007747 /nfs/dbraw/zinc/00/77/47/782007747.db2.gz QRXHCUDEIJXWRX-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001193482528 782007915 /nfs/dbraw/zinc/00/79/15/782007915.db2.gz NPBBICXORRTANN-QJPTWQEYSA-N 1 1 317.386 -1.713 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193483083 782008195 /nfs/dbraw/zinc/00/81/95/782008195.db2.gz UUSQRYWNPZLRKE-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001193536095 782008410 /nfs/dbraw/zinc/00/84/10/782008410.db2.gz UCAQKJISSMDGOV-VXGBXAGGSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001193545306 782009100 /nfs/dbraw/zinc/00/91/00/782009100.db2.gz XBAQSNAMTNFOFI-QJPTWQEYSA-N 1 1 314.386 -1.354 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 ZINC001193515441 782009715 /nfs/dbraw/zinc/00/97/15/782009715.db2.gz UWUGLJFESXVNPF-YNEHKIRRSA-N 1 1 309.366 -1.220 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)CCc3cnc[nH]3)C2)n1 ZINC001193619586 782010988 /nfs/dbraw/zinc/01/09/88/782010988.db2.gz LKENJZCCVNJUEY-CHWSQXEVSA-N 1 1 319.369 -1.168 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001193620149 782011170 /nfs/dbraw/zinc/01/11/70/782011170.db2.gz UJNLRXMQONENDB-YNEHKIRRSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193620149 782011179 /nfs/dbraw/zinc/01/11/79/782011179.db2.gz UJNLRXMQONENDB-YNEHKIRRSA-N 1 1 312.370 -1.489 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297079 409328461 /nfs/dbraw/zinc/32/84/61/409328461.db2.gz SRWLKQGPZAUCSU-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447391234 409322413 /nfs/dbraw/zinc/32/24/13/409322413.db2.gz JCDKAAZLZVGRJZ-WDEREUQCSA-N 1 1 303.359 -1.212 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447391234 409322417 /nfs/dbraw/zinc/32/24/17/409322417.db2.gz JCDKAAZLZVGRJZ-WDEREUQCSA-N 1 1 303.359 -1.212 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)nn1 ZINC000332425394 409322636 /nfs/dbraw/zinc/32/26/36/409322636.db2.gz UAZWGHZFKLMENB-VIFPVBQESA-N 1 1 317.371 -1.139 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)nn1 ZINC000332425394 409322650 /nfs/dbraw/zinc/32/26/50/409322650.db2.gz UAZWGHZFKLMENB-VIFPVBQESA-N 1 1 317.371 -1.139 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000646907399 409323835 /nfs/dbraw/zinc/32/38/35/409323835.db2.gz JIGRXSZWXHSHJU-VIFPVBQESA-N 1 1 306.326 -1.333 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000647030610 409325631 /nfs/dbraw/zinc/32/56/31/409325631.db2.gz DUBGKONYYDDLBT-VIFPVBQESA-N 1 1 322.369 -1.251 20 0 DAADMO C[C@@](O)(CNC(=O)CN1CCCNC1=O)C[NH+]1CCOCC1 ZINC000530878289 409325843 /nfs/dbraw/zinc/32/58/43/409325843.db2.gz ZESCZPILISKHLX-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261686 409361039 /nfs/dbraw/zinc/36/10/39/409361039.db2.gz UMWWQXWVLMFMFL-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000644735585 409361724 /nfs/dbraw/zinc/36/17/24/409361724.db2.gz ZJUCWSJJILKQNF-NXEZZACHSA-N 1 1 321.381 -1.515 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651178688 409361781 /nfs/dbraw/zinc/36/17/81/409361781.db2.gz VARPKFCCAABNHC-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651275107 409363955 /nfs/dbraw/zinc/36/39/55/409363955.db2.gz JSXDMSBDQOKVBI-SNVBAGLBSA-N 1 1 305.400 -1.407 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261687 409364546 /nfs/dbraw/zinc/36/45/46/409364546.db2.gz UMWWQXWVLMFMFL-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C[NH+]1CCOCC1 ZINC000651366588 409364941 /nfs/dbraw/zinc/36/49/41/409364941.db2.gz CNECHOWXMMAXPW-QWRGUYRKSA-N 1 1 305.400 -1.237 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651261689 409365017 /nfs/dbraw/zinc/36/50/17/409365017.db2.gz UMWWQXWVLMFMFL-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000651274586 409365037 /nfs/dbraw/zinc/36/50/37/409365037.db2.gz WKIXAUAVAUTTTR-MNOVXSKESA-N 1 1 317.411 -1.135 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000651543118 409370497 /nfs/dbraw/zinc/37/04/97/409370497.db2.gz IQGUUUVQQSFCBE-GHMZBOCLSA-N 1 1 322.431 -1.440 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000651543118 409370499 /nfs/dbraw/zinc/37/04/99/409370499.db2.gz IQGUUUVQQSFCBE-GHMZBOCLSA-N 1 1 322.431 -1.440 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651520978 409370795 /nfs/dbraw/zinc/37/07/95/409370795.db2.gz XXCFTOXFZGJYPY-JTQLQIEISA-N 1 1 313.383 -1.240 20 0 DAADMO C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000651543121 409371424 /nfs/dbraw/zinc/37/14/24/409371424.db2.gz IQGUUUVQQSFCBE-WDEREUQCSA-N 1 1 322.431 -1.440 20 0 DAADMO C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000651543121 409371429 /nfs/dbraw/zinc/37/14/29/409371429.db2.gz IQGUUUVQQSFCBE-WDEREUQCSA-N 1 1 322.431 -1.440 20 0 DAADMO C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000644813774 409373809 /nfs/dbraw/zinc/37/38/09/409373809.db2.gz ICUZSSISWMDKCE-NWDGAFQWSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000644813774 409373814 /nfs/dbraw/zinc/37/38/14/409373814.db2.gz ICUZSSISWMDKCE-NWDGAFQWSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@@H+]1C[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000644813778 409374275 /nfs/dbraw/zinc/37/42/75/409374275.db2.gz ICUZSSISWMDKCE-VXGBXAGGSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC000644813778 409374281 /nfs/dbraw/zinc/37/42/81/409374281.db2.gz ICUZSSISWMDKCE-VXGBXAGGSA-N 1 1 301.412 -1.121 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000651629343 409374591 /nfs/dbraw/zinc/37/45/91/409374591.db2.gz UAQSSENSOCAMKQ-NXEZZACHSA-N 1 1 323.353 -1.319 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000651629343 409374594 /nfs/dbraw/zinc/37/45/94/409374594.db2.gz UAQSSENSOCAMKQ-NXEZZACHSA-N 1 1 323.353 -1.319 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC000651773554 409376025 /nfs/dbraw/zinc/37/60/25/409376025.db2.gz NWXJTXSHTQLVOT-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC000651773554 409376027 /nfs/dbraw/zinc/37/60/27/409376027.db2.gz NWXJTXSHTQLVOT-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)C1 ZINC000651773553 409378189 /nfs/dbraw/zinc/37/81/89/409378189.db2.gz NWXJTXSHTQLVOT-GARJFASQSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)C1 ZINC000651773553 409378193 /nfs/dbraw/zinc/37/81/93/409378193.db2.gz NWXJTXSHTQLVOT-GARJFASQSA-N 1 1 305.400 -1.408 20 0 DAADMO CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000651845120 409380002 /nfs/dbraw/zinc/38/00/02/409380002.db2.gz DELKVZSLBLDWLR-SNVBAGLBSA-N 1 1 305.400 -1.407 20 0 DAADMO CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000651845120 409380008 /nfs/dbraw/zinc/38/00/08/409380008.db2.gz DELKVZSLBLDWLR-SNVBAGLBSA-N 1 1 305.400 -1.407 20 0 DAADMO Cc1nc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)nn1C ZINC000645409556 409380300 /nfs/dbraw/zinc/38/03/00/409380300.db2.gz GCEUKMDPMOWXNZ-UHFFFAOYSA-N 1 1 324.385 -1.023 20 0 DAADMO Cc1nc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)nn1C ZINC000645409556 409380307 /nfs/dbraw/zinc/38/03/07/409380307.db2.gz GCEUKMDPMOWXNZ-UHFFFAOYSA-N 1 1 324.385 -1.023 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000651848436 409380904 /nfs/dbraw/zinc/38/09/04/409380904.db2.gz RODNFXBZJUPWRG-GHMZBOCLSA-N 1 1 319.427 -1.018 20 0 DAADMO CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000651845119 409381248 /nfs/dbraw/zinc/38/12/48/409381248.db2.gz DELKVZSLBLDWLR-JTQLQIEISA-N 1 1 305.400 -1.407 20 0 DAADMO CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000651845119 409381251 /nfs/dbraw/zinc/38/12/51/409381251.db2.gz DELKVZSLBLDWLR-JTQLQIEISA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000652229017 409382050 /nfs/dbraw/zinc/38/20/50/409382050.db2.gz YTTAOVNGLZWVFW-UHFFFAOYSA-N 1 1 311.390 -1.623 20 0 DAADMO CN(CCCNC(=O)Cn1cnc(C(N)=O)n1)CC[NH+](C)C ZINC000652229017 409382056 /nfs/dbraw/zinc/38/20/56/409382056.db2.gz YTTAOVNGLZWVFW-UHFFFAOYSA-N 1 1 311.390 -1.623 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000408199351 409383179 /nfs/dbraw/zinc/38/31/79/409383179.db2.gz RGDWXCIJJGVGJP-NEPJUHHUSA-N 1 1 307.416 -1.568 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC000652359701 409383956 /nfs/dbraw/zinc/38/39/56/409383956.db2.gz PVIWRZZZPDVVEI-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000652322188 409383992 /nfs/dbraw/zinc/38/39/92/409383992.db2.gz DOAHSPWUSOHIIK-MNOVXSKESA-N 1 1 304.416 -1.113 20 0 DAADMO C[C@@](O)(CNC(=O)[C@@H](O)C1CCOCC1)C[NH+]1CCOCC1 ZINC000531436095 409384029 /nfs/dbraw/zinc/38/40/29/409384029.db2.gz AFXPZVGZYNDSRA-DZGCQCFKSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CCS(=O)(=O)N1 ZINC000652390419 409384175 /nfs/dbraw/zinc/38/41/75/409384175.db2.gz OXNSUURZAVDIGI-MNOVXSKESA-N 1 1 305.400 -1.359 20 0 DAADMO CCN1CCN(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C(=O)C1=O ZINC000644821969 409385860 /nfs/dbraw/zinc/38/58/60/409385860.db2.gz NPRQSKZRRAZRFG-NEPJUHHUSA-N 1 1 308.382 -1.160 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)C[N@@H+]1CCO ZINC000652458424 409385930 /nfs/dbraw/zinc/38/59/30/409385930.db2.gz DXBREXQEFPFGDM-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)C[N@H+]1CCO ZINC000652458424 409385933 /nfs/dbraw/zinc/38/59/33/409385933.db2.gz DXBREXQEFPFGDM-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO C[NH+](C)CCn1cc(NC(=O)NCC(=O)N2CCNCC2)cn1 ZINC000652612164 409386447 /nfs/dbraw/zinc/38/64/47/409386447.db2.gz KFGQBWVEKPYRQA-UHFFFAOYSA-N 1 1 323.401 -1.002 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652458422 409387387 /nfs/dbraw/zinc/38/73/87/409387387.db2.gz DXBREXQEFPFGDM-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652458422 409387391 /nfs/dbraw/zinc/38/73/91/409387391.db2.gz DXBREXQEFPFGDM-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000408387062 409389313 /nfs/dbraw/zinc/38/93/13/409389313.db2.gz VYQNSFBQVLCVCF-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H]1CC[N@@H+](C)C1 ZINC000658359729 409389352 /nfs/dbraw/zinc/38/93/52/409389352.db2.gz FGUFZWZAFGHULF-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@H](CO)CN2CCOCC2)CC1 ZINC000644885845 409389523 /nfs/dbraw/zinc/38/95/23/409389523.db2.gz LTNVAQFQXIOOGW-ZDUSSCGKSA-N 1 1 300.403 -1.957 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000336866618 409389548 /nfs/dbraw/zinc/38/95/48/409389548.db2.gz ORJAYOSOSYCDJQ-CQSZACIVSA-N 1 1 310.354 -1.227 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000339125464 409392689 /nfs/dbraw/zinc/39/26/89/409392689.db2.gz BCAQBEVTFKQUEN-RKDXNWHRSA-N 1 1 321.403 -1.664 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000339125464 409392691 /nfs/dbraw/zinc/39/26/91/409392691.db2.gz BCAQBEVTFKQUEN-RKDXNWHRSA-N 1 1 321.403 -1.664 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C[C@H]1C ZINC000410706102 409393141 /nfs/dbraw/zinc/39/31/41/409393141.db2.gz XDKHWTDYUHESRL-VOAKCMCISA-N 1 1 313.398 -1.261 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C[C@H]1C ZINC000410706102 409393147 /nfs/dbraw/zinc/39/31/47/409393147.db2.gz XDKHWTDYUHESRL-VOAKCMCISA-N 1 1 313.398 -1.261 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000488930971 409393299 /nfs/dbraw/zinc/39/32/99/409393299.db2.gz NBSXRWMOIFITKL-UHFFFAOYSA-N 1 1 322.431 -1.245 20 0 DAADMO O=C(CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccon1 ZINC000647909272 409401067 /nfs/dbraw/zinc/40/10/67/409401067.db2.gz PACLIFOSPDEHDA-LLVKDONJSA-N 1 1 307.354 -1.069 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000645160075 409394429 /nfs/dbraw/zinc/39/44/29/409394429.db2.gz QDQMWWZCKLKELK-NSHDSACASA-N 1 1 311.386 -1.020 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000408442988 409395837 /nfs/dbraw/zinc/39/58/37/409395837.db2.gz NSYMEGDLPPKZCY-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000408442988 409395843 /nfs/dbraw/zinc/39/58/43/409395843.db2.gz NSYMEGDLPPKZCY-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647805848 409398347 /nfs/dbraw/zinc/39/83/47/409398347.db2.gz GWFZDQDIDAUHID-JTQLQIEISA-N 1 1 305.400 -1.285 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412028472 409398783 /nfs/dbraw/zinc/39/87/83/409398783.db2.gz BHAYDCRSZVAQIN-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412028472 409398787 /nfs/dbraw/zinc/39/87/87/409398787.db2.gz BHAYDCRSZVAQIN-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO COC(=O)C1CCN(S(=O)(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000234500873 409331390 /nfs/dbraw/zinc/33/13/90/409331390.db2.gz AEBOJQMHQHUXDT-NSHDSACASA-N 1 1 321.399 -1.306 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)C[C@@H]21 ZINC000625777972 409332764 /nfs/dbraw/zinc/33/27/64/409332764.db2.gz CVPMFTZWWXOXBF-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000409787786 409334409 /nfs/dbraw/zinc/33/44/09/409334409.db2.gz CRHPENFIWAQSSS-UHIISALHSA-N 1 1 300.355 -1.005 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358045404 409337530 /nfs/dbraw/zinc/33/75/30/409337530.db2.gz JODMFZWDSBGQPB-PWSUYJOCSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C[C@H](C)[N@H+]1C ZINC000410435319 409337739 /nfs/dbraw/zinc/33/77/39/409337739.db2.gz GIVAFJRUYODNFT-AXFHLTTASA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C[C@H](C)[N@@H+]1C ZINC000410435319 409337744 /nfs/dbraw/zinc/33/77/44/409337744.db2.gz GIVAFJRUYODNFT-AXFHLTTASA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000410533321 409338615 /nfs/dbraw/zinc/33/86/15/409338615.db2.gz YNDGXKLKBHFCFJ-ZIAGYGMSSA-N 1 1 324.425 -1.182 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCCC[NH+]2CCOCC2)c1=O ZINC000120773444 409339407 /nfs/dbraw/zinc/33/94/07/409339407.db2.gz ALKNEAOMIUYCBA-UHFFFAOYSA-N 1 1 310.354 -1.615 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000650641266 409340608 /nfs/dbraw/zinc/34/06/08/409340608.db2.gz SYZBFSTZZUFUEB-PHIMTYICSA-N 1 1 311.386 -1.286 20 0 DAADMO COCCOCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178360 409343373 /nfs/dbraw/zinc/34/33/73/409343373.db2.gz VNQQSVPNFTYTTI-UHFFFAOYSA-N 1 1 321.399 -1.905 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248532874 409345015 /nfs/dbraw/zinc/34/50/15/409345015.db2.gz FQQZQXUQMJBSBK-UTLUCORTSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248532874 409345020 /nfs/dbraw/zinc/34/50/20/409345020.db2.gz FQQZQXUQMJBSBK-UTLUCORTSA-N 1 1 324.381 -1.060 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000443524950 409346689 /nfs/dbraw/zinc/34/66/89/409346689.db2.gz XUDQMIDVXAFKOK-MNOVXSKESA-N 1 1 320.415 -1.221 20 0 DAADMO CCCN(C(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567325 409351723 /nfs/dbraw/zinc/35/17/23/409351723.db2.gz RGKSCZTUMBWCMO-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000647626809 409353868 /nfs/dbraw/zinc/35/38/68/409353868.db2.gz UOFWLOSMTQEDHR-AWEZNQCLSA-N 1 1 320.393 -1.233 20 0 DAADMO NS(=O)(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000407950326 409354207 /nfs/dbraw/zinc/35/42/07/409354207.db2.gz XZZQBEBIRFUYAC-UHFFFAOYSA-N 1 1 305.360 -2.251 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806111 409399823 /nfs/dbraw/zinc/39/98/23/409399823.db2.gz SBNHYZIHFWMLQF-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351615418 409459472 /nfs/dbraw/zinc/45/94/72/409459472.db2.gz MPHJSZAXJPWQOR-NOZJJQNGSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827510 409459566 /nfs/dbraw/zinc/45/95/66/409459566.db2.gz LTSDBJUIFMYCSQ-HLTSFMKQSA-N 1 1 310.354 -1.450 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827510 409459571 /nfs/dbraw/zinc/45/95/71/409459571.db2.gz LTSDBJUIFMYCSQ-HLTSFMKQSA-N 1 1 310.354 -1.450 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647877614 409402077 /nfs/dbraw/zinc/40/20/77/409402077.db2.gz WZRFFVCPYAAZHR-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)N1CCNCC1=O ZINC000638091186 409403581 /nfs/dbraw/zinc/40/35/81/409403581.db2.gz REIPVCFBTVNBPM-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638121570 409405129 /nfs/dbraw/zinc/40/51/29/409405129.db2.gz GJXPSXFGZGGOGY-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCCCO ZINC000276476227 409405145 /nfs/dbraw/zinc/40/51/45/409405145.db2.gz ZMTPPDZUSCWARO-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCCCO ZINC000276476227 409405147 /nfs/dbraw/zinc/40/51/47/409405147.db2.gz ZMTPPDZUSCWARO-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CN1CC[NH+](C)CC1 ZINC000340299632 409406990 /nfs/dbraw/zinc/40/69/90/409406990.db2.gz ICVPZJSSLUIVIU-ZDUSSCGKSA-N 1 1 324.429 -1.028 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000653391617 409408370 /nfs/dbraw/zinc/40/83/70/409408370.db2.gz GURNLNNWSRYPIX-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)N1CCOCC1 ZINC000341217556 409409994 /nfs/dbraw/zinc/40/99/94/409409994.db2.gz YAISAVHCTRKNPL-NSHDSACASA-N 1 1 320.415 -1.507 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)N1CCOCC1 ZINC000341217556 409409999 /nfs/dbraw/zinc/40/99/99/409409999.db2.gz YAISAVHCTRKNPL-NSHDSACASA-N 1 1 320.415 -1.507 20 0 DAADMO CN(CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)S(C)(=O)=O ZINC000340951449 409412084 /nfs/dbraw/zinc/41/20/84/409412084.db2.gz IRYQLVSRNNNLNE-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000351817466 409460244 /nfs/dbraw/zinc/46/02/44/409460244.db2.gz ATJYWPQEEYPAON-UHFFFAOYSA-N 1 1 312.370 -1.379 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000351817466 409460247 /nfs/dbraw/zinc/46/02/47/409460247.db2.gz ATJYWPQEEYPAON-UHFFFAOYSA-N 1 1 312.370 -1.379 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000330489923 409415839 /nfs/dbraw/zinc/41/58/39/409415839.db2.gz MWZFGRKQONVBBG-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000330551730 409416192 /nfs/dbraw/zinc/41/61/92/409416192.db2.gz SMCUKZJRWGEKBX-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1 ZINC000328915749 409417911 /nfs/dbraw/zinc/41/79/11/409417911.db2.gz ABUUYTRCBYXNDW-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1 ZINC000328915749 409417917 /nfs/dbraw/zinc/41/79/17/409417917.db2.gz ABUUYTRCBYXNDW-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330496404 409417943 /nfs/dbraw/zinc/41/79/43/409417943.db2.gz XZHRVPVGBYHGLL-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000330441743 409418062 /nfs/dbraw/zinc/41/80/62/409418062.db2.gz SKPFXUDECUKDQZ-LBPRGKRZSA-N 1 1 318.443 -1.097 20 0 DAADMO COCCN1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000330586654 409420082 /nfs/dbraw/zinc/42/00/82/409420082.db2.gz LYGHNDSRVVDSFL-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000330646350 409421919 /nfs/dbraw/zinc/42/19/19/409421919.db2.gz ZGFYUKVJLGMQBB-CHWSQXEVSA-N 1 1 321.443 -1.307 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NCCN2CCN(C(C)=O)CC2)[N@@H+](C)C1 ZINC000330528980 409422195 /nfs/dbraw/zinc/42/21/95/409422195.db2.gz MBWUJIVEWHWBOJ-KBPBESRZSA-N 1 1 312.414 -1.014 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000330799142 409423350 /nfs/dbraw/zinc/42/33/50/409423350.db2.gz YOZDWNILIUQZJY-LLVKDONJSA-N 1 1 305.400 -1.012 20 0 DAADMO C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)[NH+]1CCSCC1 ZINC000330791879 409423689 /nfs/dbraw/zinc/42/36/89/409423689.db2.gz DEOWLCJLWBFNKC-JTQLQIEISA-N 1 1 324.472 -1.064 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000330969998 409423794 /nfs/dbraw/zinc/42/37/94/409423794.db2.gz FEHQFYANBDRWOH-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000330969998 409423798 /nfs/dbraw/zinc/42/37/98/409423798.db2.gz FEHQFYANBDRWOH-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000330955861 409424275 /nfs/dbraw/zinc/42/42/75/409424275.db2.gz JYGIKJYCVKZECI-NXEZZACHSA-N 1 1 315.395 -1.076 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000330807412 409424851 /nfs/dbraw/zinc/42/48/51/409424851.db2.gz HZBJSJJMQWLYNF-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000330960310 409425286 /nfs/dbraw/zinc/42/52/86/409425286.db2.gz OOHVKGGUSZZXKE-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000330960310 409425292 /nfs/dbraw/zinc/42/52/92/409425292.db2.gz OOHVKGGUSZZXKE-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000330900400 409425426 /nfs/dbraw/zinc/42/54/26/409425426.db2.gz WGTDAGZMQJVWFX-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000334078485 409426725 /nfs/dbraw/zinc/42/67/25/409426725.db2.gz CYJCYRDOGLCMDJ-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000430716345 409428149 /nfs/dbraw/zinc/42/81/49/409428149.db2.gz VMKZDDTUVNWLPC-NSHDSACASA-N 1 1 317.353 -1.239 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000344836737 409432257 /nfs/dbraw/zinc/43/22/57/409432257.db2.gz WWGQOITZNCEPRN-JTQLQIEISA-N 1 1 310.310 -1.150 20 0 DAADMO COCCNc1nc(N[C@@H]2CCOC2)[nH+]c(N[C@@H]2CCOC2)n1 ZINC000345044805 409433157 /nfs/dbraw/zinc/43/31/57/409433157.db2.gz RCGFFDSFVKAXAU-GHMZBOCLSA-N 1 1 324.385 -1.403 20 0 DAADMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000345343464 409436286 /nfs/dbraw/zinc/43/62/86/409436286.db2.gz FHGJVGFOQNQKGP-LBPRGKRZSA-N 1 1 307.416 -1.048 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000345343464 409436290 /nfs/dbraw/zinc/43/62/90/409436290.db2.gz FHGJVGFOQNQKGP-LBPRGKRZSA-N 1 1 307.416 -1.048 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)C[C@@H](NC(C)=O)C(N)=O)CC1 ZINC000345225210 409437936 /nfs/dbraw/zinc/43/79/36/409437936.db2.gz UXKQDIDOGQUEMW-GFCCVEGCSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCC(=O)N1CCOCC1 ZINC000345241899 409438147 /nfs/dbraw/zinc/43/81/47/409438147.db2.gz GKLMJSRAVFQVIJ-UHFFFAOYSA-N 1 1 302.375 -1.277 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(OC)ncn1 ZINC000346300040 409441083 /nfs/dbraw/zinc/44/10/83/409441083.db2.gz IRRPXAUWHJIGOT-UHFFFAOYSA-N 1 1 311.342 -1.146 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000346659573 409442660 /nfs/dbraw/zinc/44/26/60/409442660.db2.gz UUNLCEPJJKCXNA-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000366993252 409444937 /nfs/dbraw/zinc/44/49/37/409444937.db2.gz BKSRYKVYPZCIEJ-GFCCVEGCSA-N 1 1 318.443 -1.097 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CCC[N@H+]1C ZINC000347753088 409446615 /nfs/dbraw/zinc/44/66/15/409446615.db2.gz CLPJVUWGFANZGI-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO COC(=O)CC[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)OC ZINC000347934287 409447322 /nfs/dbraw/zinc/44/73/22/409447322.db2.gz NJCKHGIYOCCCQG-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CC[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)OC ZINC000347934287 409447323 /nfs/dbraw/zinc/44/73/23/409447323.db2.gz NJCKHGIYOCCCQG-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000347954942 409447904 /nfs/dbraw/zinc/44/79/04/409447904.db2.gz CNQRTPMQXASERP-UWVGGRQHSA-N 1 1 302.327 -1.384 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000347954942 409447907 /nfs/dbraw/zinc/44/79/07/409447907.db2.gz CNQRTPMQXASERP-UWVGGRQHSA-N 1 1 302.327 -1.384 20 0 DAADMO O=C(NCCO)c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)nn1 ZINC000347880772 409448152 /nfs/dbraw/zinc/44/81/52/409448152.db2.gz PXVOZKMRTKGPNT-NSHDSACASA-N 1 1 307.354 -1.281 20 0 DAADMO O=C(NCCO)c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)nn1 ZINC000347880772 409448153 /nfs/dbraw/zinc/44/81/53/409448153.db2.gz PXVOZKMRTKGPNT-NSHDSACASA-N 1 1 307.354 -1.281 20 0 DAADMO CN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347968699 409448620 /nfs/dbraw/zinc/44/86/20/409448620.db2.gz OVTDDDOTRPBQIN-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NCCO)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)nn1 ZINC000347880771 409448877 /nfs/dbraw/zinc/44/88/77/409448877.db2.gz PXVOZKMRTKGPNT-LLVKDONJSA-N 1 1 307.354 -1.281 20 0 DAADMO O=C(NCCO)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)nn1 ZINC000347880771 409448881 /nfs/dbraw/zinc/44/88/81/409448881.db2.gz PXVOZKMRTKGPNT-LLVKDONJSA-N 1 1 307.354 -1.281 20 0 DAADMO CCCN(CCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347957333 409449055 /nfs/dbraw/zinc/44/90/55/409449055.db2.gz DHEPUFHGVHAIOA-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO C[C@H]1COCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000347967489 409449101 /nfs/dbraw/zinc/44/91/01/409449101.db2.gz NLSWITKPEOAGNL-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000347962144 409449120 /nfs/dbraw/zinc/44/91/20/409449120.db2.gz ISUMWNWHJLMIPE-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)CO1 ZINC000347962495 409449288 /nfs/dbraw/zinc/44/92/88/409449288.db2.gz ADYOLGUSGSPBMP-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO COC(=O)C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)OC ZINC000348418377 409450692 /nfs/dbraw/zinc/45/06/92/409450692.db2.gz UUPROGUNIABTOP-QWRGUYRKSA-N 1 1 315.370 -1.157 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000348312155 409451657 /nfs/dbraw/zinc/45/16/57/409451657.db2.gz DYHULQICISJVEO-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000350090622 409452798 /nfs/dbraw/zinc/45/27/98/409452798.db2.gz SYXQMBYIAULYFL-SNVBAGLBSA-N 1 1 308.404 -1.756 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000653428067 409456413 /nfs/dbraw/zinc/45/64/13/409456413.db2.gz ZHXHYSJKXJWFDF-MNOVXSKESA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000653428067 409456417 /nfs/dbraw/zinc/45/64/17/409456417.db2.gz ZHXHYSJKXJWFDF-MNOVXSKESA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@@](O)(CNC(=O)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000332648959 409462042 /nfs/dbraw/zinc/46/20/42/409462042.db2.gz XZWBCYVAIDHOPG-CQSZACIVSA-N 1 1 301.387 -1.482 20 0 DAADMO CC(C)[NH+]1CC(NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000333966392 409466913 /nfs/dbraw/zinc/46/69/13/409466913.db2.gz RAHZKVDFTZRNAZ-UHFFFAOYSA-N 1 1 318.443 -1.228 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cc2n(n1)CCC2 ZINC001193552540 782011579 /nfs/dbraw/zinc/01/15/79/782011579.db2.gz UIOWSVDJAYAZRE-ZIAGYGMSSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cc2n(n1)CCC2 ZINC001193552540 782011592 /nfs/dbraw/zinc/01/15/92/782011592.db2.gz UIOWSVDJAYAZRE-ZIAGYGMSSA-N 1 1 324.381 -1.387 20 0 DAADMO CN(C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC000352570688 409467272 /nfs/dbraw/zinc/46/72/72/409467272.db2.gz KXABZIPOLAMOQG-VIFPVBQESA-N 1 1 306.388 -1.215 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC000352570688 409467276 /nfs/dbraw/zinc/46/72/76/409467276.db2.gz KXABZIPOLAMOQG-VIFPVBQESA-N 1 1 306.388 -1.215 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC(=O)N1 ZINC000332365427 409462440 /nfs/dbraw/zinc/46/24/40/409462440.db2.gz XJOXOZKEYIWSCF-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000332492477 409463399 /nfs/dbraw/zinc/46/33/99/409463399.db2.gz VKNQTCLHESEGJV-CQSZACIVSA-N 1 1 324.425 -1.059 20 0 DAADMO CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000332623385 409463425 /nfs/dbraw/zinc/46/34/25/409463425.db2.gz IDOCCRTZUHWRSM-GFCCVEGCSA-N 1 1 308.382 -1.016 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[NH+](CCO)CC1 ZINC000352163175 409464896 /nfs/dbraw/zinc/46/48/96/409464896.db2.gz XWPMWLCBRCCJSH-UHFFFAOYSA-N 1 1 323.415 -1.921 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652887177 409472322 /nfs/dbraw/zinc/47/23/22/409472322.db2.gz MYKYZDLSQLTQER-GFCCVEGCSA-N 1 1 317.349 -1.227 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652887177 409472325 /nfs/dbraw/zinc/47/23/25/409472325.db2.gz MYKYZDLSQLTQER-GFCCVEGCSA-N 1 1 317.349 -1.227 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC(CO)C2)CC1(C)C ZINC000353103614 409474156 /nfs/dbraw/zinc/47/41/56/409474156.db2.gz ZYSRTBYOSFTOIX-UHFFFAOYSA-N 1 1 312.414 -1.421 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NCC[NH+]1CCSCC1 ZINC000352654466 409469932 /nfs/dbraw/zinc/46/99/32/409469932.db2.gz BMYLCQVHFZRKMB-UHFFFAOYSA-N 1 1 310.445 -1.116 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1=O ZINC000652888026 409470233 /nfs/dbraw/zinc/47/02/33/409470233.db2.gz WFJXWRDFDZEVKD-LLVKDONJSA-N 1 1 308.338 -2.176 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1=O ZINC000652888026 409470234 /nfs/dbraw/zinc/47/02/34/409470234.db2.gz WFJXWRDFDZEVKD-LLVKDONJSA-N 1 1 308.338 -2.176 20 0 DAADMO COC(=O)[C@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000352754974 409470750 /nfs/dbraw/zinc/47/07/50/409470750.db2.gz VMAAASRSOVVCPA-GFCCVEGCSA-N 1 1 323.415 -1.276 20 0 DAADMO COC(=O)[C@](C)(O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000352754974 409470759 /nfs/dbraw/zinc/47/07/59/409470759.db2.gz VMAAASRSOVVCPA-GFCCVEGCSA-N 1 1 323.415 -1.276 20 0 DAADMO C[C@](O)(CNC(=O)c1ccc2nnnn2c1)C[NH+]1CCOCC1 ZINC000532319035 409471093 /nfs/dbraw/zinc/47/10/93/409471093.db2.gz VKCAQCHWUDLBGJ-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000354468530 409477111 /nfs/dbraw/zinc/47/71/11/409477111.db2.gz NPTCRIRDDFIARA-CMPLNLGQSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CNC(C)=O)CC1=O ZINC000354130860 409477621 /nfs/dbraw/zinc/47/76/21/409477621.db2.gz MZVBXTPDMANIKV-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC000354468542 409477732 /nfs/dbraw/zinc/47/77/32/409477732.db2.gz NPTCRIRDDFIARA-PWSUYJOCSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000354521381 409477785 /nfs/dbraw/zinc/47/77/85/409477785.db2.gz HYYBTWCIMORBDP-NXEZZACHSA-N 1 1 322.431 -1.376 20 0 DAADMO COC(=O)COCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000354511599 409478740 /nfs/dbraw/zinc/47/87/40/409478740.db2.gz PKKYAAQTVASVKX-CYBMUJFWSA-N 1 1 304.343 -1.625 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000354686596 409480088 /nfs/dbraw/zinc/48/00/88/409480088.db2.gz IPYYSIKGBOPKRR-NSHDSACASA-N 1 1 309.326 -1.221 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000354686596 409480094 /nfs/dbraw/zinc/48/00/94/409480094.db2.gz IPYYSIKGBOPKRR-NSHDSACASA-N 1 1 309.326 -1.221 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000353799526 409474876 /nfs/dbraw/zinc/47/48/76/409474876.db2.gz DOPUFMKKKGBXKY-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000353799526 409474881 /nfs/dbraw/zinc/47/48/81/409474881.db2.gz DOPUFMKKKGBXKY-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C)c1nccc(N2CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)n1 ZINC000353724625 409475214 /nfs/dbraw/zinc/47/52/14/409475214.db2.gz UWSJCONHNONPOE-SNVBAGLBSA-N 1 1 321.385 -1.606 20 0 DAADMO COC[C@@H](CO)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353773647 409475296 /nfs/dbraw/zinc/47/52/96/409475296.db2.gz XNDSRQCWDIUTCB-VXGBXAGGSA-N 1 1 316.402 -1.120 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000355367363 409483563 /nfs/dbraw/zinc/48/35/63/409483563.db2.gz OGIAJBIETCBORY-MNOVXSKESA-N 1 1 322.431 -1.368 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000355272482 409484211 /nfs/dbraw/zinc/48/42/11/409484211.db2.gz VIEFUOXSJLIIHW-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000355272482 409484217 /nfs/dbraw/zinc/48/42/17/409484217.db2.gz VIEFUOXSJLIIHW-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000356056989 409487849 /nfs/dbraw/zinc/48/78/49/409487849.db2.gz IWXDCHILTZWAOI-CQSZACIVSA-N 1 1 300.403 -1.374 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000358574129 409495819 /nfs/dbraw/zinc/49/58/19/409495819.db2.gz PANFZRPQSIYFOE-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](CO)Nc1nc(N2CCOCC2)nc(N[C@@H](C)CO)[nH+]1 ZINC000358455496 409496701 /nfs/dbraw/zinc/49/67/01/409496701.db2.gz FSQRQISJIYZUCP-UWVGGRQHSA-N 1 1 312.374 -1.863 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2ncnc2C1 ZINC000358554878 409497397 /nfs/dbraw/zinc/49/73/97/409497397.db2.gz CDDRDSCIVQOYSR-UHFFFAOYSA-N 1 1 310.358 -1.685 20 0 DAADMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000357064561 409491296 /nfs/dbraw/zinc/49/12/96/409491296.db2.gz IGYWJWIAAPIFME-VHSXEESVSA-N 1 1 323.397 -1.127 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357885933 409492784 /nfs/dbraw/zinc/49/27/84/409492784.db2.gz GUXBEWNEBSHSQK-VIFPVBQESA-N 1 1 306.388 -1.167 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357885933 409492788 /nfs/dbraw/zinc/49/27/88/409492788.db2.gz GUXBEWNEBSHSQK-VIFPVBQESA-N 1 1 306.388 -1.167 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000357612976 409494183 /nfs/dbraw/zinc/49/41/83/409494183.db2.gz MGVYIWPJVQEDCF-UHFFFAOYSA-N 1 1 318.443 -1.239 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000516182622 409559705 /nfs/dbraw/zinc/55/97/05/409559705.db2.gz AZOOMVLASFGHJX-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO CS(=O)(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000428885892 409565182 /nfs/dbraw/zinc/56/51/82/409565182.db2.gz HDCAQKWLLBZZLH-LBPRGKRZSA-N 1 1 316.427 -1.616 20 0 DAADMO CN(C)C(=O)CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000358791089 409498980 /nfs/dbraw/zinc/49/89/80/409498980.db2.gz MIDIMJLCPALWQM-ZDUSSCGKSA-N 1 1 302.375 -1.543 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC(=O)N(C)C)CC1 ZINC000358793550 409501060 /nfs/dbraw/zinc/50/10/60/409501060.db2.gz VUCYUXCYOOZNSJ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C)S(N)(=O)=O ZINC000359426691 409502608 /nfs/dbraw/zinc/50/26/08/409502608.db2.gz KHILQFBUYYUERI-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[N@@H+](C)C1CC1 ZINC000359432079 409502844 /nfs/dbraw/zinc/50/28/44/409502844.db2.gz RUBZWIUQGHTQTK-BDAKNGLRSA-N 1 1 320.415 -1.622 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000359419209 409503214 /nfs/dbraw/zinc/50/32/14/409503214.db2.gz UVVXQOWQVBJQSH-SNVBAGLBSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1CO ZINC000362056709 409510307 /nfs/dbraw/zinc/51/03/07/409510307.db2.gz PQVAXDZAMOBTFH-RYUDHWBXSA-N 1 1 321.443 -1.056 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)c2cn(CC(N)=O)nn2)C[C@H](C)O1 ZINC000361511883 409510367 /nfs/dbraw/zinc/51/03/67/409510367.db2.gz AJVCGRIJOWROGZ-PHIMTYICSA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC000361946948 409511051 /nfs/dbraw/zinc/51/10/51/409511051.db2.gz PYIWPXREKDSYRG-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CCOC1 ZINC000362261255 409511204 /nfs/dbraw/zinc/51/12/04/409511204.db2.gz DRFQJTZDWITKEF-YGRLFVJLSA-N 1 1 315.370 -1.109 20 0 DAADMO C[C@@]1(C(N)=O)CCN(C[C@H](O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511267 /nfs/dbraw/zinc/51/12/67/409511267.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 1 1 312.414 -1.258 20 0 DAADMO C[C@@]1(C(N)=O)CCN(C[C@H](O)C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511270 /nfs/dbraw/zinc/51/12/70/409511270.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 1 1 312.414 -1.258 20 0 DAADMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511274 /nfs/dbraw/zinc/51/12/74/409511274.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 1 1 312.414 -1.258 20 0 DAADMO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556033 409511278 /nfs/dbraw/zinc/51/12/78/409511278.db2.gz DTAZAAUUSUNNGZ-SHHSBJBSSA-N 1 1 312.414 -1.258 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000371536131 409512234 /nfs/dbraw/zinc/51/22/34/409512234.db2.gz TUQSDJGWAHUDOF-NXEZZACHSA-N 1 1 308.338 -1.040 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@@H](O)C4(CC4)C3)c2c(=O)n(C)c1=O ZINC000372299708 409513952 /nfs/dbraw/zinc/51/39/52/409513952.db2.gz CAEOAJWHFSAPCQ-SNVBAGLBSA-N 1 1 319.365 -1.110 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCNC(N)=O)CC1 ZINC000372055529 409514350 /nfs/dbraw/zinc/51/43/50/409514350.db2.gz DNNHOYKEBLNNPM-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000372694687 409514476 /nfs/dbraw/zinc/51/44/76/409514476.db2.gz XWMMTPQQUJOOKB-HNNXBMFYSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC000372865355 409514673 /nfs/dbraw/zinc/51/46/73/409514673.db2.gz GZKBWDIMJHDEBJ-NSHDSACASA-N 1 1 322.431 -1.344 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)NC(C)C)C1 ZINC000372865355 409514680 /nfs/dbraw/zinc/51/46/80/409514680.db2.gz GZKBWDIMJHDEBJ-NSHDSACASA-N 1 1 322.431 -1.344 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000372558235 409516026 /nfs/dbraw/zinc/51/60/26/409516026.db2.gz RZQJYIHMQJEQQI-BXKDBHETSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000372558235 409516028 /nfs/dbraw/zinc/51/60/28/409516028.db2.gz RZQJYIHMQJEQQI-BXKDBHETSA-N 1 1 302.327 -1.336 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C)CC1 ZINC000121129174 409516611 /nfs/dbraw/zinc/51/66/11/409516611.db2.gz SDZQUQBRIZDFTA-SECBINFHSA-N 1 1 309.370 -1.515 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cnn2c1CCC2 ZINC001193577730 782012135 /nfs/dbraw/zinc/01/21/35/782012135.db2.gz YRYRXJMLLBSJRK-TZMCWYRMSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cnn2c1CCC2 ZINC001193577730 782012143 /nfs/dbraw/zinc/01/21/43/782012143.db2.gz YRYRXJMLLBSJRK-TZMCWYRMSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCCO1 ZINC000374619222 409519394 /nfs/dbraw/zinc/51/93/94/409519394.db2.gz NRPUDDXJVUCJAG-UWVGGRQHSA-N 1 1 310.320 -1.073 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000652926596 409519933 /nfs/dbraw/zinc/51/99/33/409519933.db2.gz FIAJFWPDNDBTRH-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)CCN1CCCS1(=O)=O ZINC000653562729 409532706 /nfs/dbraw/zinc/53/27/06/409532706.db2.gz HOCJVFXCGKSNPH-CYBMUJFWSA-N 1 1 323.459 -1.107 20 0 DAADMO C[C@H]1COCCN1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156126 409538101 /nfs/dbraw/zinc/53/81/01/409538101.db2.gz VDLKJXNQOPGOCD-VIFPVBQESA-N 1 1 308.329 -1.467 20 0 DAADMO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000314818729 409539978 /nfs/dbraw/zinc/53/99/78/409539978.db2.gz QGEYRVNPQLACNB-CYBMUJFWSA-N 1 1 301.343 -1.632 20 0 DAADMO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000314818729 409539980 /nfs/dbraw/zinc/53/99/80/409539980.db2.gz QGEYRVNPQLACNB-CYBMUJFWSA-N 1 1 301.343 -1.632 20 0 DAADMO CC(C)(O)CN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420148465 409540362 /nfs/dbraw/zinc/54/03/62/409540362.db2.gz GASCQZVDDFNKGV-UHFFFAOYSA-N 1 1 322.356 -1.388 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000420146505 409540391 /nfs/dbraw/zinc/54/03/91/409540391.db2.gz AGZABTDNGANOQH-VIFPVBQESA-N 1 1 318.324 -1.034 20 0 DAADMO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420159318 409541356 /nfs/dbraw/zinc/54/13/56/409541356.db2.gz ZFOSYMRWLQNKFT-SNVBAGLBSA-N 1 1 322.356 -1.124 20 0 DAADMO CCOCCNC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430647996 409569501 /nfs/dbraw/zinc/56/95/01/409569501.db2.gz YPEIJNRKMDPNHS-LBPRGKRZSA-N 1 1 300.403 -1.074 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000423266400 409547507 /nfs/dbraw/zinc/54/75/07/409547507.db2.gz RWIUGRBWGXSKIO-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093257149 409552612 /nfs/dbraw/zinc/55/26/12/409552612.db2.gz SHIOSDWPWLBNAB-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CN1C[C@H](C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)OC1=O ZINC000496420620 409618886 /nfs/dbraw/zinc/61/88/86/409618886.db2.gz UGRKOASAOIAOJT-VHSXEESVSA-N 1 1 306.388 -1.058 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646669292 409624885 /nfs/dbraw/zinc/62/48/85/409624885.db2.gz GLBAQSSPVAMWAM-JHJVBQTASA-N 1 1 302.371 -1.516 20 0 DAADMO O=C(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCNCC1 ZINC000646637930 409625330 /nfs/dbraw/zinc/62/53/30/409625330.db2.gz CDHXYQHQSJFEQB-SNVBAGLBSA-N 1 1 306.370 -1.352 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CNS(=O)(=O)N(C)C)n1C ZINC000646812849 409633393 /nfs/dbraw/zinc/63/33/93/409633393.db2.gz CWMHJRWPCXCTKX-UHFFFAOYSA-N 1 1 318.403 -1.502 20 0 DAADMO C[C@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[NH+]1CCOCC1 ZINC000646837734 409633481 /nfs/dbraw/zinc/63/34/81/409633481.db2.gz ANFRDTQQGQALJT-FMKGYKFTSA-N 1 1 314.382 -1.516 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000521636853 409634479 /nfs/dbraw/zinc/63/44/79/409634479.db2.gz MRTBDLRUNMWETR-UHFFFAOYSA-N 1 1 308.404 -1.779 20 0 DAADMO COCC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000517155606 409634580 /nfs/dbraw/zinc/63/45/80/409634580.db2.gz NZCVQAPRYMOYFK-UHFFFAOYSA-N 1 1 322.431 -1.485 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824856 409635413 /nfs/dbraw/zinc/63/54/13/409635413.db2.gz JTDIDIIEVPGNRE-AEGPPILISA-N 1 1 324.425 -1.184 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653828371 409635556 /nfs/dbraw/zinc/63/55/56/409635556.db2.gz MBXJDZYLTBDGOC-NWDGAFQWSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC(=O)NCCN2CCOCC2)CC[N@H+]1C ZINC000648779412 409639539 /nfs/dbraw/zinc/63/95/39/409639539.db2.gz NZWIRYVACMGCIL-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)NCCNS(C)(=O)=O)n1C ZINC000435490230 409575737 /nfs/dbraw/zinc/57/57/37/409575737.db2.gz GKHDXIRRNWJVMK-UHFFFAOYSA-N 1 1 318.403 -1.166 20 0 DAADMO O=C(C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)N1CCNC1=O ZINC000434712010 409576060 /nfs/dbraw/zinc/57/60/60/409576060.db2.gz AAOAXHPBAJHAEL-ZDUSSCGKSA-N 1 1 324.381 -1.110 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434978037 409576610 /nfs/dbraw/zinc/57/66/10/409576610.db2.gz LFPZWUQMZIIAPS-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434997143 409577324 /nfs/dbraw/zinc/57/73/24/409577324.db2.gz RMOXQPCFZTWCQF-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO C[N@@H+](CCC(=O)N1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000434984104 409577406 /nfs/dbraw/zinc/57/74/06/409577406.db2.gz VGLWEHKJTPASPW-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434988046 409577622 /nfs/dbraw/zinc/57/76/22/409577622.db2.gz QGTYALGOGHOQMM-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372322407 409639828 /nfs/dbraw/zinc/63/98/28/409639828.db2.gz UPOFOVQXMPODRO-STQMWFEESA-N 1 1 310.398 -1.572 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372322405 409639906 /nfs/dbraw/zinc/63/99/06/409639906.db2.gz UPOFOVQXMPODRO-OLZOCXBDSA-N 1 1 310.398 -1.572 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CN2CN=NC2=O)C1 ZINC000436358157 409580043 /nfs/dbraw/zinc/58/00/43/409580043.db2.gz BOVBFZUVCUMVOW-JTQLQIEISA-N 1 1 310.358 -1.313 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000436331636 409581345 /nfs/dbraw/zinc/58/13/45/409581345.db2.gz OLXFCQOFOSYZFB-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1)N1CCOCC1 ZINC000659810056 409582098 /nfs/dbraw/zinc/58/20/98/409582098.db2.gz FPWCNRATDOBORC-LBPRGKRZSA-N 1 1 324.381 -1.875 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)S(N)(=O)=O ZINC000439348958 409582764 /nfs/dbraw/zinc/58/27/64/409582764.db2.gz LOISDLPDLPGQNV-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)S1(=O)=O ZINC000648773988 409640044 /nfs/dbraw/zinc/64/00/44/409640044.db2.gz GICPWYBCYUYFNZ-LLVKDONJSA-N 1 1 319.427 -1.065 20 0 DAADMO COC(=O)CCNC(=O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441266852 409588430 /nfs/dbraw/zinc/58/84/30/409588430.db2.gz ODQBBLJCUMPXLJ-ZDUSSCGKSA-N 1 1 316.354 -1.088 20 0 DAADMO Cn1c2[nH]c(C[NH2+][C@H](CO)[C@H]3CCCO3)nc2c(=O)n(C)c1=O ZINC000447911157 409592987 /nfs/dbraw/zinc/59/29/87/409592987.db2.gz DRMXMUDVZRQKIA-RKDXNWHRSA-N 1 1 323.353 -1.410 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000492087616 409607495 /nfs/dbraw/zinc/60/74/95/409607495.db2.gz USNCVPBEWCANHD-NSHDSACASA-N 1 1 323.415 -1.276 20 0 DAADMO Cn1nnc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000495185966 409614531 /nfs/dbraw/zinc/61/45/31/409614531.db2.gz AQNGIYUGQNWTPL-SNVBAGLBSA-N 1 1 324.389 -1.403 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000494486994 409614579 /nfs/dbraw/zinc/61/45/79/409614579.db2.gz SJYZMXKPDFLNBJ-MRVPVSSYSA-N 1 1 308.360 -1.195 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000494678503 409614808 /nfs/dbraw/zinc/61/48/08/409614808.db2.gz ZRSQGJRKIOWHPL-QMMMGPOBSA-N 1 1 308.360 -1.195 20 0 DAADMO CO[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CCOC1 ZINC000659725580 409692300 /nfs/dbraw/zinc/69/23/00/409692300.db2.gz XTJMHLVNYGMPMF-IUCAKERBSA-N 1 1 309.313 -1.136 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000659730668 409693341 /nfs/dbraw/zinc/69/33/41/409693341.db2.gz TYHTXHPNUFVDHL-BDAKNGLRSA-N 1 1 305.356 -2.654 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC000659980859 409700359 /nfs/dbraw/zinc/70/03/59/409700359.db2.gz APWHDQAYXCPTIS-SNVBAGLBSA-N 1 1 318.399 -1.119 20 0 DAADMO COCCCNC(=O)C[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000659835355 409700871 /nfs/dbraw/zinc/70/08/71/409700871.db2.gz IFWIVUYJZWBKLI-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000659835355 409700884 /nfs/dbraw/zinc/70/08/84/409700884.db2.gz IFWIVUYJZWBKLI-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1)N1CCOCC1 ZINC000659810049 409701806 /nfs/dbraw/zinc/70/18/06/409701806.db2.gz FPWCNRATDOBORC-GFCCVEGCSA-N 1 1 324.381 -1.875 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660553652 409702718 /nfs/dbraw/zinc/70/27/18/409702718.db2.gz VSIFBBIJNUUTJC-GFCCVEGCSA-N 1 1 308.448 -1.231 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)C[C@H](C)O1 ZINC000660009427 409703079 /nfs/dbraw/zinc/70/30/79/409703079.db2.gz RZQSBRQFBFXLHY-FRRDWIJNSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)C[C@H](C)O1 ZINC000660009427 409703086 /nfs/dbraw/zinc/70/30/86/409703086.db2.gz RZQSBRQFBFXLHY-FRRDWIJNSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)S(C)(=O)=O ZINC000661715387 409705783 /nfs/dbraw/zinc/70/57/83/409705783.db2.gz HEYADARZKLYBLB-WCQYABFASA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)S(C)(=O)=O ZINC000661715387 409705792 /nfs/dbraw/zinc/70/57/92/409705792.db2.gz HEYADARZKLYBLB-WCQYABFASA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(=O)n(C)c1=O ZINC000662031988 409709860 /nfs/dbraw/zinc/70/98/60/409709860.db2.gz HRFHLLYXZHVLPW-NXEZZACHSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)c(=O)n(C)c1=O ZINC000662031988 409709866 /nfs/dbraw/zinc/70/98/66/409709866.db2.gz HRFHLLYXZHVLPW-NXEZZACHSA-N 1 1 322.365 -1.183 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+]2CCCOCC2)S1(=O)=O ZINC000648872854 409642784 /nfs/dbraw/zinc/64/27/84/409642784.db2.gz WNEJSTHYPOMMOA-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@H+]2CCCOCC2)S1(=O)=O ZINC000648872854 409642793 /nfs/dbraw/zinc/64/27/93/409642793.db2.gz WNEJSTHYPOMMOA-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739071 409642949 /nfs/dbraw/zinc/64/29/49/409642949.db2.gz RHKWNVWDELPYRU-CQSZACIVSA-N 1 1 314.430 -1.031 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)S1(=O)=O ZINC000648918217 409643861 /nfs/dbraw/zinc/64/38/61/409643861.db2.gz OHQHINSQVQECDN-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)S1(=O)=O ZINC000648918517 409644144 /nfs/dbraw/zinc/64/41/44/409644144.db2.gz ZHQUZKZEJPOTIW-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000529333289 409644461 /nfs/dbraw/zinc/64/44/61/409644461.db2.gz FPEDVQHPFZIZIJ-MRVPVSSYSA-N 1 1 309.317 -1.080 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCO)S1(=O)=O ZINC000648918516 409644719 /nfs/dbraw/zinc/64/47/19/409644719.db2.gz ZHQUZKZEJPOTIW-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000373153374 409645022 /nfs/dbraw/zinc/64/50/22/409645022.db2.gz PDNDYYMLMBSJAS-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000373153374 409645028 /nfs/dbraw/zinc/64/50/28/409645028.db2.gz PDNDYYMLMBSJAS-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H]2COCCN2)C1 ZINC000529387728 409650401 /nfs/dbraw/zinc/65/04/01/409650401.db2.gz LWLGOTHEHCRZGG-RYUDHWBXSA-N 1 1 313.402 -1.529 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000649292393 409654816 /nfs/dbraw/zinc/65/48/16/409654816.db2.gz DMBNMCJWEYLFPS-UHFFFAOYSA-N 1 1 321.385 -1.755 20 0 DAADMO COC(=O)CN(C)C(=O)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576292250 409658127 /nfs/dbraw/zinc/65/81/27/409658127.db2.gz ISBUXYXCNUBKEA-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@](C)(CO)OC)CC1 ZINC000654379382 409661783 /nfs/dbraw/zinc/66/17/83/409661783.db2.gz XWKGOTQSCMPRGH-AWEZNQCLSA-N 1 1 316.402 -1.107 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654379139 409663204 /nfs/dbraw/zinc/66/32/04/409663204.db2.gz PBRKPXRLMKDSNF-WDEREUQCSA-N 1 1 320.415 -1.614 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@](C)(CO)OC)CC1 ZINC000654379383 409663684 /nfs/dbraw/zinc/66/36/84/409663684.db2.gz XWKGOTQSCMPRGH-CQSZACIVSA-N 1 1 316.402 -1.107 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000654599000 409665891 /nfs/dbraw/zinc/66/58/91/409665891.db2.gz NAYHUGXPRJXMAK-AXFHLTTASA-N 1 1 310.354 -1.406 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000654820333 409665955 /nfs/dbraw/zinc/66/59/55/409665955.db2.gz SVPNONREHQGDGE-LLVKDONJSA-N 1 1 311.386 -1.025 20 0 DAADMO CC(=O)NCC[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000581546603 409667159 /nfs/dbraw/zinc/66/71/59/409667159.db2.gz XLGSSBHYGXGPPF-UHFFFAOYSA-N 1 1 303.388 -1.234 20 0 DAADMO CC(=O)NCC[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000581546603 409667164 /nfs/dbraw/zinc/66/71/64/409667164.db2.gz XLGSSBHYGXGPPF-UHFFFAOYSA-N 1 1 303.388 -1.234 20 0 DAADMO CCN(C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658807404 409669022 /nfs/dbraw/zinc/66/90/22/409669022.db2.gz NVYSKYQEGUWNMA-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(=O)n1C ZINC000655121930 409670678 /nfs/dbraw/zinc/67/06/78/409670678.db2.gz XLPKOTDMXLNIKT-GFCCVEGCSA-N 1 1 311.386 -1.147 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H]1CC[N@@H+](C)C1 ZINC000658359726 409680868 /nfs/dbraw/zinc/68/08/68/409680868.db2.gz FGUFZWZAFGHULF-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H]1CC[N@@H+](C)C1 ZINC000658359725 409682430 /nfs/dbraw/zinc/68/24/30/409682430.db2.gz FGUFZWZAFGHULF-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CO[C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659569692 409684989 /nfs/dbraw/zinc/68/49/89/409684989.db2.gz MVKHARWDJPXMCV-SNVBAGLBSA-N 1 1 320.415 -1.350 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001193601760 782012866 /nfs/dbraw/zinc/01/28/66/782012866.db2.gz LJSOJVOBQKULHQ-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001193601760 782012876 /nfs/dbraw/zinc/01/28/76/782012876.db2.gz LJSOJVOBQKULHQ-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659683248 409688152 /nfs/dbraw/zinc/68/81/52/409688152.db2.gz WRFHUBCBRLVUKJ-QJPTWQEYSA-N 1 1 315.393 -1.754 20 0 DAADMO C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659707859 409688933 /nfs/dbraw/zinc/68/89/33/409688933.db2.gz IWLZFRAZKXQVDT-GHMZBOCLSA-N 1 1 304.366 -1.422 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659706874 409690637 /nfs/dbraw/zinc/69/06/37/409690637.db2.gz QYMBWXRGDBTGFH-MQYJIDSJSA-N 1 1 310.398 -1.309 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659682217 409690966 /nfs/dbraw/zinc/69/09/66/409690966.db2.gz HRHKBCXWSKFLCN-GFCCVEGCSA-N 1 1 311.430 -1.264 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000662981829 409721251 /nfs/dbraw/zinc/72/12/51/409721251.db2.gz SFKAWZFSTBHDSC-ZOBORPQBSA-N 1 1 324.425 -1.150 20 0 DAADMO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000662966972 409723099 /nfs/dbraw/zinc/72/30/99/409723099.db2.gz WJIOLFPRQHKCEG-XWAURUHHSA-N 1 1 308.382 -1.787 20 0 DAADMO C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)S(N)(=O)=O ZINC000663404430 409725987 /nfs/dbraw/zinc/72/59/87/409725987.db2.gz FHOPAHLOBOEGMK-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO CNc1nc(N[C@H]2CCNC2=O)nc(N[C@H]2CCNC2=O)[nH+]1 ZINC000664136565 409727696 /nfs/dbraw/zinc/72/76/96/409727696.db2.gz YEKBXLXOECNKAD-BQBZGAKWSA-N 1 1 306.330 -1.486 20 0 DAADMO CNc1nc(N[C@H]2CCNC2=O)[nH+]c(N[C@H]2CCNC2=O)n1 ZINC000664136565 409727706 /nfs/dbraw/zinc/72/77/06/409727706.db2.gz YEKBXLXOECNKAD-BQBZGAKWSA-N 1 1 306.330 -1.486 20 0 DAADMO C[C@@H](CN1CCN(C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664026592 409728379 /nfs/dbraw/zinc/72/83/79/409728379.db2.gz WUKHQXWISXWQCI-IHRRRGAJSA-N 1 1 313.446 -1.061 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000664093806 409728668 /nfs/dbraw/zinc/72/86/68/409728668.db2.gz IQUUKBANXMBSER-UHFFFAOYSA-N 1 1 319.431 -1.128 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664026595 409728725 /nfs/dbraw/zinc/72/87/25/409728725.db2.gz WUKHQXWISXWQCI-RDBSUJKOSA-N 1 1 313.446 -1.061 20 0 DAADMO C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)S(N)(=O)=O ZINC000664957457 409732243 /nfs/dbraw/zinc/73/22/43/409732243.db2.gz FMRZKUSPYSNVPP-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000665103411 409738166 /nfs/dbraw/zinc/73/81/66/409738166.db2.gz VPPSVRXEJSUMEW-UHFFFAOYSA-N 1 1 320.415 -1.219 20 0 DAADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000340340496 409739040 /nfs/dbraw/zinc/73/90/40/409739040.db2.gz UMFNIGRSNKZXGF-SNVBAGLBSA-N 1 1 324.385 -0.943 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000340340496 409739048 /nfs/dbraw/zinc/73/90/48/409739048.db2.gz UMFNIGRSNKZXGF-SNVBAGLBSA-N 1 1 324.385 -0.943 20 0 DAADMO Cn1ncc2c1nc(NC[C@](C)(O)C[NH+]1CCOCC1)[nH]c2=O ZINC000433383289 409745525 /nfs/dbraw/zinc/74/55/25/409745525.db2.gz HDUBNYMQLKRDFM-AWEZNQCLSA-N 1 1 322.369 -0.436 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCNC2=O)CC1 ZINC000665335665 409749312 /nfs/dbraw/zinc/74/93/12/409749312.db2.gz YPXCLGDNWCGSBK-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC000591907613 409758937 /nfs/dbraw/zinc/75/89/37/409758937.db2.gz DIEYEZATBBTMSP-ZDUSSCGKSA-N 1 1 307.398 -0.431 20 0 DAADMO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC000591907613 409758949 /nfs/dbraw/zinc/75/89/49/409758949.db2.gz DIEYEZATBBTMSP-ZDUSSCGKSA-N 1 1 307.398 -0.431 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCCC[NH+]2CCN(C)CC2)n1 ZINC000665488893 409767693 /nfs/dbraw/zinc/76/76/93/409767693.db2.gz AKUOTAPVVZJTLH-UHFFFAOYSA-N 1 1 322.417 -1.113 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)NC1=O ZINC000662766341 409719644 /nfs/dbraw/zinc/71/96/44/409719644.db2.gz JJZDGPPHVVFMBL-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(O)CNC2)cc1 ZINC000662724990 409720067 /nfs/dbraw/zinc/72/00/67/409720067.db2.gz VTVDVMOXRWALSU-UHFFFAOYSA-N 1 1 320.393 -1.072 20 0 DAADMO Cn1c(NCC[N@H+]2CC[C@@H](O)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000624677788 409797767 /nfs/dbraw/zinc/79/77/67/409797767.db2.gz LRFCRJNFJCFEHG-MRVPVSSYSA-N 1 1 308.342 -1.149 20 0 DAADMO CC[NH+]1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000580452776 409800326 /nfs/dbraw/zinc/80/03/26/409800326.db2.gz HAXQQYIXMDJSBX-UHFFFAOYSA-N 1 1 321.385 -0.932 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)n1 ZINC000577000778 409801920 /nfs/dbraw/zinc/80/19/20/409801920.db2.gz QAHHWZWRSGUQRD-JTQLQIEISA-N 1 1 323.401 -0.904 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000614505465 409803727 /nfs/dbraw/zinc/80/37/27/409803727.db2.gz PGYFJCBWLFNBGU-SNVBAGLBSA-N 1 1 320.401 -1.361 20 0 DAADMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000578136138 409806387 /nfs/dbraw/zinc/80/63/87/409806387.db2.gz BAMUEGVMHSHNOD-SNVBAGLBSA-N 1 1 321.385 -0.934 20 0 DAADMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000578136138 409806400 /nfs/dbraw/zinc/80/64/00/409806400.db2.gz BAMUEGVMHSHNOD-SNVBAGLBSA-N 1 1 321.385 -0.934 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193778160 782015102 /nfs/dbraw/zinc/01/51/02/782015102.db2.gz SLHVKWOYUXBLHS-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193778160 782015108 /nfs/dbraw/zinc/01/51/08/782015108.db2.gz SLHVKWOYUXBLHS-VIFPVBQESA-N 1 1 306.388 -2.104 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001193798713 782015302 /nfs/dbraw/zinc/01/53/02/782015302.db2.gz DGCVQBIONDNUIT-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788183 782015330 /nfs/dbraw/zinc/01/53/30/782015330.db2.gz XRFCNHJRGGIROT-VHSXEESVSA-N 1 1 320.415 -1.716 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193786906 782015837 /nfs/dbraw/zinc/01/58/37/782015837.db2.gz MRBAAVFJHZOAMZ-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193786906 782015847 /nfs/dbraw/zinc/01/58/47/782015847.db2.gz MRBAAVFJHZOAMZ-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193756896 782016157 /nfs/dbraw/zinc/01/61/57/782016157.db2.gz VHEIXZJJNMVMFZ-FRRDWIJNSA-N 1 1 311.386 -2.033 20 0 DAADMO CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193756896 782016165 /nfs/dbraw/zinc/01/61/65/782016165.db2.gz VHEIXZJJNMVMFZ-FRRDWIJNSA-N 1 1 311.386 -2.033 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193865833 782017186 /nfs/dbraw/zinc/01/71/86/782017186.db2.gz RVQHCMIGDLKRPW-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821038 782017032 /nfs/dbraw/zinc/01/70/32/782017032.db2.gz BRLFPWPBZBIBEN-MGPQQGTHSA-N 1 1 324.425 -1.089 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001193849100 782018172 /nfs/dbraw/zinc/01/81/72/782018172.db2.gz GVCVKAKTJAPFPM-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001193884143 782019133 /nfs/dbraw/zinc/01/91/33/782019133.db2.gz ZFAWJCYYHJHONU-LOWDOPEQSA-N 1 1 302.371 -1.012 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875448 782017911 /nfs/dbraw/zinc/01/79/11/782017911.db2.gz VPWRSUAUZAJURD-CHWSQXEVSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cnc2n1CCC2 ZINC001193857233 782017961 /nfs/dbraw/zinc/01/79/61/782017961.db2.gz BGALYRGYQJMYMQ-DGCLKSJQSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cnc2n1CCC2 ZINC001193857233 782017972 /nfs/dbraw/zinc/01/79/72/782017972.db2.gz BGALYRGYQJMYMQ-DGCLKSJQSA-N 1 1 324.381 -1.387 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821658 782019343 /nfs/dbraw/zinc/01/93/43/782019343.db2.gz OQPRZJBLWRVCOP-RAIGVLPGSA-N 1 1 312.414 -1.234 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193887289 782019439 /nfs/dbraw/zinc/01/94/39/782019439.db2.gz GVCSRJBEOJEAQO-VIFPVBQESA-N 1 1 309.330 -1.994 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193887289 782019447 /nfs/dbraw/zinc/01/94/47/782019447.db2.gz GVCSRJBEOJEAQO-VIFPVBQESA-N 1 1 309.330 -1.994 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)ccc1=O ZINC001193865847 782019618 /nfs/dbraw/zinc/01/96/18/782019618.db2.gz SCLSSOQZCIAEFR-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892372 782020406 /nfs/dbraw/zinc/02/04/06/782020406.db2.gz LMXRDVOPFRPOJH-YNEHKIRRSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193897926 782020902 /nfs/dbraw/zinc/02/09/02/782020902.db2.gz PMQOKVUOEJPUAC-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193897926 782020895 /nfs/dbraw/zinc/02/08/95/782020895.db2.gz PMQOKVUOEJPUAC-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360186611 262590165 /nfs/dbraw/zinc/59/01/65/262590165.db2.gz AYONZMIAAHLLAE-IUCAKERBSA-N 1 1 300.384 -1.498 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922776 782022592 /nfs/dbraw/zinc/02/25/92/782022592.db2.gz XYDNFPOVJKGEGJ-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193914670 782022669 /nfs/dbraw/zinc/02/26/69/782022669.db2.gz LXRGQELQTXXVJA-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193914670 782022673 /nfs/dbraw/zinc/02/26/73/782022673.db2.gz LXRGQELQTXXVJA-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922775 782022925 /nfs/dbraw/zinc/02/29/25/782022925.db2.gz XYDNFPOVJKGEGJ-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO C[C@@H](NC(=O)CN1CCCS1(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676257757 545872236 /nfs/dbraw/zinc/87/22/36/545872236.db2.gz JJFDDMDHKRQCJH-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](NC(=O)CN1CCCS1(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257757 545872238 /nfs/dbraw/zinc/87/22/38/545872238.db2.gz JJFDDMDHKRQCJH-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000679372703 545880475 /nfs/dbraw/zinc/88/04/75/545880475.db2.gz AHOAJXRHPPIPPR-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000680197025 545882097 /nfs/dbraw/zinc/88/20/97/545882097.db2.gz SQBYHGPWOYIWQH-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000680197028 545882357 /nfs/dbraw/zinc/88/23/57/545882357.db2.gz SQBYHGPWOYIWQH-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000680827300 545883567 /nfs/dbraw/zinc/88/35/67/545883567.db2.gz AKLLONOWGUCOQD-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682092946 545886026 /nfs/dbraw/zinc/88/60/26/545886026.db2.gz GDJQVDIRPVRFQH-NXEZZACHSA-N 1 1 300.359 -1.974 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682092946 545886031 /nfs/dbraw/zinc/88/60/31/545886031.db2.gz GDJQVDIRPVRFQH-NXEZZACHSA-N 1 1 300.359 -1.974 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685128764 545892334 /nfs/dbraw/zinc/89/23/34/545892334.db2.gz MUXPIYCGYXIWNF-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685128764 545892336 /nfs/dbraw/zinc/89/23/36/545892336.db2.gz MUXPIYCGYXIWNF-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000685342789 545893116 /nfs/dbraw/zinc/89/31/16/545893116.db2.gz JFTNWXDMADTHHE-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342789 545893121 /nfs/dbraw/zinc/89/31/21/545893121.db2.gz JFTNWXDMADTHHE-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO CC(C)(C)c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001194013827 782024851 /nfs/dbraw/zinc/02/48/51/782024851.db2.gz NXIRCHIADNDVDC-GARJFASQSA-N 1 1 305.386 -1.093 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015198 782024991 /nfs/dbraw/zinc/02/49/91/782024991.db2.gz GBZXUFYUPJCKOF-JMJZKYOTSA-N 1 1 312.326 -2.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cnc[nH]c1=O ZINC001194015391 782025193 /nfs/dbraw/zinc/02/51/93/782025193.db2.gz IOXGWDORISAGOL-GHMZBOCLSA-N 1 1 312.326 -2.034 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039808 782027628 /nfs/dbraw/zinc/02/76/28/782027628.db2.gz VSSJIJGEKOHEBD-RAIGVLPGSA-N 1 1 312.370 -1.521 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061398 782027648 /nfs/dbraw/zinc/02/76/48/782027648.db2.gz VMYHBKYTJJMJRR-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061404 782026888 /nfs/dbraw/zinc/02/68/88/782026888.db2.gz VMYHBKYTJJMJRR-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001194053505 782026954 /nfs/dbraw/zinc/02/69/54/782026954.db2.gz BGEBPPJUVHIKHK-AAVRWANBSA-N 1 1 315.414 -1.097 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060590 782027103 /nfs/dbraw/zinc/02/71/03/782027103.db2.gz MWMDKODSEZPGMP-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194030514 782027172 /nfs/dbraw/zinc/02/71/72/782027172.db2.gz DBKICCTVBWQAHA-CHWSQXEVSA-N 1 1 312.370 -1.256 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001194090359 782028054 /nfs/dbraw/zinc/02/80/54/782028054.db2.gz ZZNYDUGWYYOSDH-RKDXNWHRSA-N 1 1 306.388 -2.058 20 0 DAADMO COC(=O)c1cc(F)cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001194151929 782028099 /nfs/dbraw/zinc/02/80/99/782028099.db2.gz WCMOIHPVRLDJPN-SDDRHHMPSA-N 1 1 323.328 -1.255 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089364 782028146 /nfs/dbraw/zinc/02/81/46/782028146.db2.gz FQZNYQUWHGXQCF-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089364 782028153 /nfs/dbraw/zinc/02/81/53/782028153.db2.gz FQZNYQUWHGXQCF-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089644 782028829 /nfs/dbraw/zinc/02/88/29/782028829.db2.gz MVHCFAZVEVEJBY-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089644 782028836 /nfs/dbraw/zinc/02/88/36/782028836.db2.gz MVHCFAZVEVEJBY-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194089606 782029194 /nfs/dbraw/zinc/02/91/94/782029194.db2.gz LKCGMZFIWTUOGQ-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001194244020 782031958 /nfs/dbraw/zinc/03/19/58/782031958.db2.gz HWSUTNPOTLICDX-IJLUTSLNSA-N 1 1 312.414 -1.234 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001194251638 782032180 /nfs/dbraw/zinc/03/21/80/782032180.db2.gz RCIRZKQJACVENI-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001194251638 782032183 /nfs/dbraw/zinc/03/21/83/782032183.db2.gz RCIRZKQJACVENI-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194306278 782032401 /nfs/dbraw/zinc/03/24/01/782032401.db2.gz UEHOCKQWZZFJTP-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194306278 782032407 /nfs/dbraw/zinc/03/24/07/782032407.db2.gz UEHOCKQWZZFJTP-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)CC1 ZINC001194251581 782032420 /nfs/dbraw/zinc/03/24/20/782032420.db2.gz QIWCRIPCEGTYHM-JHJVBQTASA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255539 782032690 /nfs/dbraw/zinc/03/26/90/782032690.db2.gz ICXSTGUSYXYQAZ-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194257100 782032870 /nfs/dbraw/zinc/03/28/70/782032870.db2.gz WMCCBKHAJFDAOO-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO COCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194256849 782033238 /nfs/dbraw/zinc/03/32/38/782033238.db2.gz UUNAOQSXKHQYMM-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001194255048 782033282 /nfs/dbraw/zinc/03/32/82/782033282.db2.gz FJRFEDMPXFMEDK-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001194255048 782033291 /nfs/dbraw/zinc/03/32/91/782033291.db2.gz FJRFEDMPXFMEDK-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1n[nH]c2c1CCC2 ZINC001194365615 782034185 /nfs/dbraw/zinc/03/41/85/782034185.db2.gz NZHWMNDRSLUTEH-CHWSQXEVSA-N 1 1 324.381 -1.318 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1n[nH]c2c1CCC2 ZINC001194365615 782034193 /nfs/dbraw/zinc/03/41/93/782034193.db2.gz NZHWMNDRSLUTEH-CHWSQXEVSA-N 1 1 324.381 -1.318 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329007 782035415 /nfs/dbraw/zinc/03/54/15/782035415.db2.gz HKKIDNFAFMXWHT-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329007 782035419 /nfs/dbraw/zinc/03/54/19/782035419.db2.gz HKKIDNFAFMXWHT-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194461158 782036518 /nfs/dbraw/zinc/03/65/18/782036518.db2.gz WIFCJWPTDDOQLX-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO COC(=O)c1cc(F)cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001194151931 782029472 /nfs/dbraw/zinc/02/94/72/782029472.db2.gz WCMOIHPVRLDJPN-WOPDTQHZSA-N 1 1 323.328 -1.255 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238059 782029877 /nfs/dbraw/zinc/02/98/77/782029877.db2.gz HHTXETAUIREDNW-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261961682 262490964 /nfs/dbraw/zinc/49/09/64/262490964.db2.gz PRXLAHKAGOMUDU-SCVCMEIPSA-N 1 1 312.370 -1.784 20 0 DAADMO Cn1cc(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000328972837 262499029 /nfs/dbraw/zinc/49/90/29/262499029.db2.gz VOEWAAHTQMHWOW-STQMWFEESA-N 1 1 308.382 -1.011 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000330600768 262506276 /nfs/dbraw/zinc/50/62/76/262506276.db2.gz VIIFDSJFTWPMSQ-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO CC(C)C[C@@H](CNC(=O)[C@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345544941 262535928 /nfs/dbraw/zinc/53/59/28/262535928.db2.gz ZKELFMXIJJBFBQ-RYUDHWBXSA-N 1 1 316.402 -1.121 20 0 DAADMO CCNC(=O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000349943702 262553157 /nfs/dbraw/zinc/55/31/57/262553157.db2.gz JMJSECFPKNOKGB-UHFFFAOYSA-N 1 1 323.397 -1.662 20 0 DAADMO COC(=O)c1cn(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000356897207 262575541 /nfs/dbraw/zinc/57/55/41/262575541.db2.gz SYJVJGBYIGFLNK-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000376883587 262612842 /nfs/dbraw/zinc/61/28/42/262612842.db2.gz JZQHGBMJNUWQDZ-UHFFFAOYSA-N 1 1 300.359 -1.613 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@H+]1CC(C)(C)O ZINC000444574211 262638274 /nfs/dbraw/zinc/63/82/74/262638274.db2.gz QWBSUCWBNROOTI-VHSXEESVSA-N 1 1 302.375 -1.681 20 0 DAADMO NC(=O)NC(=O)CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000444399899 262638688 /nfs/dbraw/zinc/63/86/88/262638688.db2.gz XMBPCOJSXIQJKD-UHFFFAOYSA-N 1 1 302.375 -1.412 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNc1cccc(C)[nH+]1 ZINC000450017879 262642139 /nfs/dbraw/zinc/64/21/39/262642139.db2.gz NFEGCKHRIMNIOU-UHFFFAOYSA-N 1 1 301.372 -1.028 20 0 DAADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459872319 262644543 /nfs/dbraw/zinc/64/45/43/262644543.db2.gz UVUACPUZAXKFMM-STQMWFEESA-N 1 1 313.398 -1.402 20 0 DAADMO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734562 262647126 /nfs/dbraw/zinc/64/71/26/262647126.db2.gz QVUUEXUGHCPWGN-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734562 262647127 /nfs/dbraw/zinc/64/71/27/262647127.db2.gz QVUUEXUGHCPWGN-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO COC(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000496768168 262653917 /nfs/dbraw/zinc/65/39/17/262653917.db2.gz RNLBBYHZDBEUCG-UHFFFAOYSA-N 1 1 320.371 -2.212 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000527087698 262660961 /nfs/dbraw/zinc/66/09/61/262660961.db2.gz SDGKPHSMHCJEJX-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000358575773 263219225 /nfs/dbraw/zinc/21/92/25/263219225.db2.gz VRWQBZMHVLXTJW-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@](O)(CNC(=O)[C@H](O)C1CCOCC1)C[NH+]1CCOCC1 ZINC000531436114 263220802 /nfs/dbraw/zinc/22/08/02/263220802.db2.gz AFXPZVGZYNDSRA-HIFRSBDPSA-N 1 1 316.398 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413896409 263221949 /nfs/dbraw/zinc/22/19/49/263221949.db2.gz GEDKAFGVSOJJSY-VIFPVBQESA-N 1 1 322.387 -2.397 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452361333 263222189 /nfs/dbraw/zinc/22/21/89/263222189.db2.gz JXHXQRGRMBFLSV-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)[C@@H]2C1 ZINC000425379317 263222458 /nfs/dbraw/zinc/22/24/58/263222458.db2.gz AOWGDKCWWGJMCV-LOWDOPEQSA-N 1 1 311.382 -1.649 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022207 263223404 /nfs/dbraw/zinc/22/34/04/263223404.db2.gz OBHIPDFQAHHQBZ-VXGBXAGGSA-N 1 1 301.387 -1.213 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022207 263223406 /nfs/dbraw/zinc/22/34/06/263223406.db2.gz OBHIPDFQAHHQBZ-VXGBXAGGSA-N 1 1 301.387 -1.213 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279176 263223926 /nfs/dbraw/zinc/22/39/26/263223926.db2.gz WWRLBQXKWDXNRC-GFCCVEGCSA-N 1 1 310.398 -1.028 20 0 DAADMO C[C@H](CO)N1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279176 263223927 /nfs/dbraw/zinc/22/39/27/263223927.db2.gz WWRLBQXKWDXNRC-GFCCVEGCSA-N 1 1 310.398 -1.028 20 0 DAADMO C[C@H](CO)N1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279176 263223929 /nfs/dbraw/zinc/22/39/29/263223929.db2.gz WWRLBQXKWDXNRC-GFCCVEGCSA-N 1 1 310.398 -1.028 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000344536613 263224184 /nfs/dbraw/zinc/22/41/84/263224184.db2.gz JNKNEXVGTVLQQI-LBPRGKRZSA-N 1 1 315.370 -1.155 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000344536613 263224186 /nfs/dbraw/zinc/22/41/86/263224186.db2.gz JNKNEXVGTVLQQI-LBPRGKRZSA-N 1 1 315.370 -1.155 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000333018157 263225396 /nfs/dbraw/zinc/22/53/96/263225396.db2.gz CTVZGMBDLGOEMW-UHFFFAOYSA-N 1 1 320.397 -1.157 20 0 DAADMO C[C@H](CO)N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357997981 263225847 /nfs/dbraw/zinc/22/58/47/263225847.db2.gz WQGOKPUOQNCBJA-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000330979074 263226604 /nfs/dbraw/zinc/22/66/04/263226604.db2.gz PWXSVTVDZJVIFP-WDEREUQCSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1CO ZINC000362069958 263227271 /nfs/dbraw/zinc/22/72/71/263227271.db2.gz VOYLJMZSFIPLSD-IUCAKERBSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1CO ZINC000362069958 263227274 /nfs/dbraw/zinc/22/72/74/263227274.db2.gz VOYLJMZSFIPLSD-IUCAKERBSA-N 1 1 310.354 -1.591 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434988554 263228199 /nfs/dbraw/zinc/22/81/99/263228199.db2.gz UFHVCMPFBJPYPH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434988554 263228201 /nfs/dbraw/zinc/22/82/01/263228201.db2.gz UFHVCMPFBJPYPH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CCN(C)C(=O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000361281862 263228919 /nfs/dbraw/zinc/22/89/19/263228919.db2.gz NGVXXCRPEUBGQF-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000428492366 263228940 /nfs/dbraw/zinc/22/89/40/263228940.db2.gz DPBCXCRJLCNZCZ-VIFPVBQESA-N 1 1 312.326 -2.068 20 0 DAADMO CCNC(=O)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000518379625 263230549 /nfs/dbraw/zinc/23/05/49/263230549.db2.gz MJWMXCYQBRCKNO-UHFFFAOYSA-N 1 1 318.399 -2.042 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H](C)CO ZINC000410864202 263230654 /nfs/dbraw/zinc/23/06/54/263230654.db2.gz KRCCQVSKYMOBDP-ZDEQEGDKSA-N 1 1 313.398 -1.261 20 0 DAADMO [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000262021564 263231813 /nfs/dbraw/zinc/23/18/13/263231813.db2.gz XRADZLLNXBZUKW-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000262021564 263231816 /nfs/dbraw/zinc/23/18/16/263231816.db2.gz XRADZLLNXBZUKW-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000355272484 263232247 /nfs/dbraw/zinc/23/22/47/263232247.db2.gz VIEFUOXSJLIIHW-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000355272484 263232249 /nfs/dbraw/zinc/23/22/49/263232249.db2.gz VIEFUOXSJLIIHW-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330268736 263232529 /nfs/dbraw/zinc/23/25/29/263232529.db2.gz RJJDKPQWYQMLLJ-LLVKDONJSA-N 1 1 302.400 -1.039 20 0 DAADMO COC(=O)[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000352754975 263233070 /nfs/dbraw/zinc/23/30/70/263233070.db2.gz VMAAASRSOVVCPA-LBPRGKRZSA-N 1 1 323.415 -1.276 20 0 DAADMO COC(=O)[C@@](C)(O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000352754975 263233071 /nfs/dbraw/zinc/23/30/71/263233071.db2.gz VMAAASRSOVVCPA-LBPRGKRZSA-N 1 1 323.415 -1.276 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000331208093 263233836 /nfs/dbraw/zinc/23/38/36/263233836.db2.gz FOZWJVSXSCBPPU-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000331208093 263233837 /nfs/dbraw/zinc/23/38/37/263233837.db2.gz FOZWJVSXSCBPPU-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1CO ZINC000362088692 263234715 /nfs/dbraw/zinc/23/47/15/263234715.db2.gz RAGSTYOIPMNZRG-WDEREUQCSA-N 1 1 321.381 -1.006 20 0 DAADMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000357064560 263235530 /nfs/dbraw/zinc/23/55/30/263235530.db2.gz IGYWJWIAAPIFME-UWVGGRQHSA-N 1 1 323.397 -1.127 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCO[C@H](CO)C1 ZINC000332039760 263236027 /nfs/dbraw/zinc/23/60/27/263236027.db2.gz KIZLAJKJDVYMSB-XQQFMLRXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C)CC1 ZINC000086961769 263236802 /nfs/dbraw/zinc/23/68/02/263236802.db2.gz UQKKZCOLWHOXES-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)S(C)(=O)=O ZINC000362661948 263238799 /nfs/dbraw/zinc/23/87/99/263238799.db2.gz HEQYNYUJAOLBRV-GHMZBOCLSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](C)N1CCOCC1 ZINC000419683317 263239361 /nfs/dbraw/zinc/23/93/61/263239361.db2.gz KKCJJKKYHMCFQR-UWVGGRQHSA-N 1 1 322.356 -1.078 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC(CO)CO ZINC000341083188 263240075 /nfs/dbraw/zinc/24/00/75/263240075.db2.gz KJCFIUKFUNHDQR-LBPRGKRZSA-N 1 1 316.402 -1.419 20 0 DAADMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC000328906641 263242129 /nfs/dbraw/zinc/24/21/29/263242129.db2.gz BOXFOHAKLAWKAY-NWDGAFQWSA-N 1 1 305.400 -1.032 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC000328906641 263242130 /nfs/dbraw/zinc/24/21/30/263242130.db2.gz BOXFOHAKLAWKAY-NWDGAFQWSA-N 1 1 305.400 -1.032 20 0 DAADMO CS(=O)(=O)NCC[N@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000361390121 263242239 /nfs/dbraw/zinc/24/22/39/263242239.db2.gz LHJCTBXJLNDELW-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000361390121 263242241 /nfs/dbraw/zinc/24/22/41/263242241.db2.gz LHJCTBXJLNDELW-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCCOCCO)CC1 ZINC000357055200 263243314 /nfs/dbraw/zinc/24/33/14/263243314.db2.gz SVSKVVXWHBOQQH-UHFFFAOYSA-N 1 1 316.402 -1.151 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054165 263245656 /nfs/dbraw/zinc/24/56/56/263245656.db2.gz JIMXHGNKQOLBLI-YUMQZZPRSA-N 1 1 310.314 -1.105 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054165 263245659 /nfs/dbraw/zinc/24/56/59/263245659.db2.gz JIMXHGNKQOLBLI-YUMQZZPRSA-N 1 1 310.314 -1.105 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000343040151 263246261 /nfs/dbraw/zinc/24/62/61/263246261.db2.gz YXEVGZKWXXVGFX-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000343040151 263246263 /nfs/dbraw/zinc/24/62/63/263246263.db2.gz YXEVGZKWXXVGFX-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CCO)C1CCC1 ZINC000347970943 263247260 /nfs/dbraw/zinc/24/72/60/263247260.db2.gz QGWDKCYAOFOUCU-CYBMUJFWSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)C1 ZINC000351933306 263247408 /nfs/dbraw/zinc/24/74/08/263247408.db2.gz CGXKPLDKCDGECY-YPMHNXCESA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)C1 ZINC000351933306 263247412 /nfs/dbraw/zinc/24/74/12/263247412.db2.gz CGXKPLDKCDGECY-YPMHNXCESA-N 1 1 301.387 -1.211 20 0 DAADMO CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347975674 263248098 /nfs/dbraw/zinc/24/80/98/263248098.db2.gz XXMLMCZFQSKHQS-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341477884 263248530 /nfs/dbraw/zinc/24/85/30/263248530.db2.gz PYULBZRJXXMBBW-VXGBXAGGSA-N 1 1 319.427 -1.402 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1 ZINC000114727609 263249529 /nfs/dbraw/zinc/24/95/29/263249529.db2.gz BLTUZOZCCSGVHJ-UHFFFAOYSA-N 1 1 314.430 -1.079 20 0 DAADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000429681082 263250339 /nfs/dbraw/zinc/25/03/39/263250339.db2.gz JSTUYRSGQLABDH-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000359584104 263250591 /nfs/dbraw/zinc/25/05/91/263250591.db2.gz QUAJMFDDDCWXFZ-MFKMUULPSA-N 1 1 303.359 -1.070 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359584104 263250592 /nfs/dbraw/zinc/25/05/92/263250592.db2.gz QUAJMFDDDCWXFZ-MFKMUULPSA-N 1 1 303.359 -1.070 20 0 DAADMO Cn1cc(/C=C\C(=O)NCC(F)(F)C[NH3+])c(=O)n(C)c1=O ZINC000493467414 263253903 /nfs/dbraw/zinc/25/39/03/263253903.db2.gz OZHLEBQOWJCVKX-ARJAWSKDSA-N 1 1 302.281 -1.193 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[NH+](CCO)CC1 ZINC000341172295 263256443 /nfs/dbraw/zinc/25/64/43/263256443.db2.gz STQSOZCLMKGVNL-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000332087863 263257229 /nfs/dbraw/zinc/25/72/29/263257229.db2.gz JDCYAWGFARQCNX-ZIAGYGMSSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000332087863 263257231 /nfs/dbraw/zinc/25/72/31/263257231.db2.gz JDCYAWGFARQCNX-ZIAGYGMSSA-N 1 1 323.441 -1.345 20 0 DAADMO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CC[NH+](C)CC1 ZINC000362367197 263257282 /nfs/dbraw/zinc/25/72/82/263257282.db2.gz ZWYCTTAGURAZCF-UHFFFAOYSA-N 1 1 300.384 -1.011 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359406146 263258431 /nfs/dbraw/zinc/25/84/31/263258431.db2.gz ASXVDLMMOWIHTG-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO COCCS(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262408532 263260585 /nfs/dbraw/zinc/26/05/85/263260585.db2.gz BXMRNAWZMVESCA-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO O=C([C@H]1CCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424029085 263261362 /nfs/dbraw/zinc/26/13/62/263261362.db2.gz OXGQVDVVYMMFSL-LLVKDONJSA-N 1 1 303.384 -1.389 20 0 DAADMO CCN1CCN(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C(=O)C1=O ZINC000192507689 263261459 /nfs/dbraw/zinc/26/14/59/263261459.db2.gz NIDGKUNVQGMRHC-TXEJJXNPSA-N 1 1 308.382 -1.303 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000358546119 263261476 /nfs/dbraw/zinc/26/14/76/263261476.db2.gz PFTDOBIGSZCFBH-XQHKEYJVSA-N 1 1 301.387 -1.357 20 0 DAADMO CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331702445 263261982 /nfs/dbraw/zinc/26/19/82/263261982.db2.gz FXAVBJBWPFFTLK-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000425292568 263262335 /nfs/dbraw/zinc/26/23/35/263262335.db2.gz ZOICUMBHFJKGLC-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000425292568 263262337 /nfs/dbraw/zinc/26/23/37/263262337.db2.gz ZOICUMBHFJKGLC-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357380142 263263506 /nfs/dbraw/zinc/26/35/06/263263506.db2.gz HMKWASCMWLPVOH-VIFPVBQESA-N 1 1 307.372 -1.629 20 0 DAADMO O=C(N[C@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417930972 263263597 /nfs/dbraw/zinc/26/35/97/263263597.db2.gz PHERMBQIFIOSTK-JTQLQIEISA-N 1 1 318.399 -1.596 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434978038 263264408 /nfs/dbraw/zinc/26/44/08/263264408.db2.gz LFPZWUQMZIIAPS-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000129591178 263264518 /nfs/dbraw/zinc/26/45/18/263264518.db2.gz BZTPYUIWPOGSLL-ZDUSSCGKSA-N 1 1 310.398 -1.401 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000129591178 263264520 /nfs/dbraw/zinc/26/45/20/263264520.db2.gz BZTPYUIWPOGSLL-ZDUSSCGKSA-N 1 1 310.398 -1.401 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000346307749 263264943 /nfs/dbraw/zinc/26/49/43/263264943.db2.gz OFARIYMJIAFQLE-UHFFFAOYSA-N 1 1 324.385 -1.089 20 0 DAADMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000375622217 263265301 /nfs/dbraw/zinc/26/53/01/263265301.db2.gz BYTBKWSSTKLXDX-VIFPVBQESA-N 1 1 306.388 -1.073 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000407982494 263268592 /nfs/dbraw/zinc/26/85/92/263268592.db2.gz HHHDEDOBZRMKQB-NSHDSACASA-N 1 1 304.416 -1.487 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2CO)CC1 ZINC000460028544 263269190 /nfs/dbraw/zinc/26/91/90/263269190.db2.gz IKHKHXZXBGYJMF-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330549270 263271088 /nfs/dbraw/zinc/27/10/88/263271088.db2.gz RHXCPJNWZJGQMX-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330549270 263271089 /nfs/dbraw/zinc/27/10/89/263271089.db2.gz RHXCPJNWZJGQMX-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000355699414 263271553 /nfs/dbraw/zinc/27/15/53/263271553.db2.gz PUMCVLDCWKCJFV-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000436331632 263272617 /nfs/dbraw/zinc/27/26/17/263272617.db2.gz OLXFCQOFOSYZFB-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408049190 263273463 /nfs/dbraw/zinc/27/34/63/263273463.db2.gz WOAIJAWCKAISOB-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408049190 263273466 /nfs/dbraw/zinc/27/34/66/263273466.db2.gz WOAIJAWCKAISOB-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO CCOCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416963251 263273720 /nfs/dbraw/zinc/27/37/20/263273720.db2.gz PWPFDMMMLKFLFJ-UHFFFAOYSA-N 1 1 320.415 -1.348 20 0 DAADMO C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[N@@H+]1CCO ZINC000490082444 263273950 /nfs/dbraw/zinc/27/39/50/263273950.db2.gz VCKWKMPXEHTEFO-SECBINFHSA-N 1 1 322.369 -1.125 20 0 DAADMO C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[N@H+]1CCO ZINC000490082444 263273953 /nfs/dbraw/zinc/27/39/53/263273953.db2.gz VCKWKMPXEHTEFO-SECBINFHSA-N 1 1 322.369 -1.125 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000425394291 263274905 /nfs/dbraw/zinc/27/49/05/263274905.db2.gz WGOSWSXWLUSLKY-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000358555913 263275327 /nfs/dbraw/zinc/27/53/27/263275327.db2.gz FDJXGKUAOINDAN-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CC[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347965595 263276560 /nfs/dbraw/zinc/27/65/60/263276560.db2.gz LQUBSYBGVVIKQC-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H]1C[N@H+](CCC(=O)N(C)CC(=O)OC)CCO1 ZINC000359646959 263277500 /nfs/dbraw/zinc/27/75/00/263277500.db2.gz IMJXUUYCSGJUPD-SNVBAGLBSA-N 1 1 301.343 -1.545 20 0 DAADMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)N(C)CC(=O)OC)CCO1 ZINC000359646959 263277504 /nfs/dbraw/zinc/27/75/04/263277504.db2.gz IMJXUUYCSGJUPD-SNVBAGLBSA-N 1 1 301.343 -1.545 20 0 DAADMO Cn1cc(N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2=O)cn1 ZINC000175416992 263277737 /nfs/dbraw/zinc/27/77/37/263277737.db2.gz MBLGSMCOUHKUEG-CQSZACIVSA-N 1 1 323.397 -1.238 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)nn1 ZINC000355068234 263278092 /nfs/dbraw/zinc/27/80/92/263278092.db2.gz VZUPOWDAYXVSCA-MRVPVSSYSA-N 1 1 310.314 -1.104 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NCCC[NH+]1CCOCC1 ZINC000332626829 263278467 /nfs/dbraw/zinc/27/84/67/263278467.db2.gz PYVFZFSFSPJRQH-UHFFFAOYSA-N 1 1 319.427 -1.445 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1)N1CCOCC1 ZINC000328958674 263278736 /nfs/dbraw/zinc/27/87/36/263278736.db2.gz PSKDKAMQWPVLDO-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO C[NH+](C)CCN(C(=O)Cn1cnnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000345214417 263278968 /nfs/dbraw/zinc/27/89/68/263278968.db2.gz CHZYJPOOTAKLAG-SNVBAGLBSA-N 1 1 316.387 -1.750 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCOCC1CC1 ZINC000356519943 263278998 /nfs/dbraw/zinc/27/89/98/263278998.db2.gz HWUQHQQJFSDYPG-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352234215 263279793 /nfs/dbraw/zinc/27/97/93/263279793.db2.gz ISCYDFMZBGAPGA-SECBINFHSA-N 1 1 310.354 -1.183 20 0 DAADMO COC[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000352234215 263279794 /nfs/dbraw/zinc/27/97/94/263279794.db2.gz ISCYDFMZBGAPGA-SECBINFHSA-N 1 1 310.354 -1.183 20 0 DAADMO COC[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424041532 263279916 /nfs/dbraw/zinc/27/99/16/263279916.db2.gz ODAZRAPRYXQBEU-SNVBAGLBSA-N 1 1 305.400 -1.285 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000372322404 263281464 /nfs/dbraw/zinc/28/14/64/263281464.db2.gz UPOFOVQXMPODRO-CHWSQXEVSA-N 1 1 310.398 -1.572 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331018396 263282171 /nfs/dbraw/zinc/28/21/71/263282171.db2.gz MYPSYSMHDCMRMM-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347330480 263282549 /nfs/dbraw/zinc/28/25/49/263282549.db2.gz JDZRHXAWZFVKSS-DCAQKATOSA-N 1 1 303.359 -1.335 20 0 DAADMO CCC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(N)=O ZINC000429159734 263282558 /nfs/dbraw/zinc/28/25/58/263282558.db2.gz RHFHDJRCCZEAEA-UHFFFAOYSA-N 1 1 322.369 -1.369 20 0 DAADMO O=C(COCC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034785 263283935 /nfs/dbraw/zinc/28/39/35/263283935.db2.gz BTIMBUZHBUOMME-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1COCCO1 ZINC000342674147 263284774 /nfs/dbraw/zinc/28/47/74/263284774.db2.gz WVDXHWIXTUCAKS-NSHDSACASA-N 1 1 317.411 -1.317 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[N@@H+](C)C1 ZINC000413909232 263285822 /nfs/dbraw/zinc/28/58/22/263285822.db2.gz VSJOTMIAKPCCJL-NSHDSACASA-N 1 1 313.354 -1.592 20 0 DAADMO CC(C)C(=O)N[C@H](CO)C(=O)NCCC[NH+]1CCOCC1 ZINC000340944395 263286328 /nfs/dbraw/zinc/28/63/28/263286328.db2.gz WBECJJVWIAHPEU-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)CO)CC2)C1 ZINC000348319877 263287096 /nfs/dbraw/zinc/28/70/96/263287096.db2.gz OZFQCLDBQYRBLQ-GFCCVEGCSA-N 1 1 319.427 -1.206 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000407950485 263287323 /nfs/dbraw/zinc/28/73/23/263287323.db2.gz CRHBXZDDQFMNTQ-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000407950485 263287324 /nfs/dbraw/zinc/28/73/24/263287324.db2.gz CRHBXZDDQFMNTQ-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO COC[C@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353773646 263287591 /nfs/dbraw/zinc/28/75/91/263287591.db2.gz XNDSRQCWDIUTCB-RYUDHWBXSA-N 1 1 316.402 -1.120 20 0 DAADMO C[C@H]1[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CCC[N@H+]1C ZINC000458653297 263288828 /nfs/dbraw/zinc/28/88/28/263288828.db2.gz OAMMZKYLVSJVAZ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000331018393 263288849 /nfs/dbraw/zinc/28/88/49/263288849.db2.gz MYPSYSMHDCMRMM-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262272832 263290042 /nfs/dbraw/zinc/29/00/42/263290042.db2.gz YNONVIXAAQTJHD-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262272832 263290047 /nfs/dbraw/zinc/29/00/47/263290047.db2.gz YNONVIXAAQTJHD-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NC(CO)CO)CC1 ZINC000340962812 263290701 /nfs/dbraw/zinc/29/07/01/263290701.db2.gz SVPYWNMHGABZJT-UHFFFAOYSA-N 1 1 316.402 -1.371 20 0 DAADMO COC[C@@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355088489 263292619 /nfs/dbraw/zinc/29/26/19/263292619.db2.gz ONAYLWZUJXHKQK-NWDGAFQWSA-N 1 1 300.403 -1.253 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000178976869 263293298 /nfs/dbraw/zinc/29/32/98/263293298.db2.gz WCWIOGVAUCPOGC-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000422289667 263295967 /nfs/dbraw/zinc/29/59/67/263295967.db2.gz ZMYPHUPNVHRFDH-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000368539639 263297273 /nfs/dbraw/zinc/29/72/73/263297273.db2.gz UEVBZUJLIZFSCU-NSHDSACASA-N 1 1 322.369 -1.442 20 0 DAADMO C[C@@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000347967490 263297376 /nfs/dbraw/zinc/29/73/76/263297376.db2.gz NLSWITKPEOAGNL-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@](O)(CNC(=O)NC[C@H]1COCCO1)C[NH+]1CCOCC1 ZINC000524781859 263299525 /nfs/dbraw/zinc/29/95/25/263299525.db2.gz URHMHFGEEJEKAR-GXTWGEPZSA-N 1 1 317.386 -1.216 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000444380998 263300878 /nfs/dbraw/zinc/30/08/78/263300878.db2.gz IWSSHALWNLVBNU-SNVBAGLBSA-N 1 1 319.369 -1.067 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1ncn(C)c1=O ZINC000356621047 263301787 /nfs/dbraw/zinc/30/17/87/263301787.db2.gz OQMJLJPNVSIMRV-UHFFFAOYSA-N 1 1 312.418 -1.076 20 0 DAADMO CN(CCCN(C)C(=O)Cn1ncn(C)c1=O)CC[NH+](C)C ZINC000356621047 263301788 /nfs/dbraw/zinc/30/17/88/263301788.db2.gz OQMJLJPNVSIMRV-UHFFFAOYSA-N 1 1 312.418 -1.076 20 0 DAADMO C[C@H](O)C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H](C)CO ZINC000443333725 263303737 /nfs/dbraw/zinc/30/37/37/263303737.db2.gz KPHAYYVGGSNCIL-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](O)C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H](C)CO ZINC000443333725 263303738 /nfs/dbraw/zinc/30/37/38/263303738.db2.gz KPHAYYVGGSNCIL-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000351637467 263304351 /nfs/dbraw/zinc/30/43/51/263304351.db2.gz VLWNCAMFQVWRIK-ZWNOBZJWSA-N 1 1 301.343 -1.778 20 0 DAADMO COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000351637467 263304354 /nfs/dbraw/zinc/30/43/54/263304354.db2.gz VLWNCAMFQVWRIK-ZWNOBZJWSA-N 1 1 301.343 -1.778 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330960308 263305221 /nfs/dbraw/zinc/30/52/21/263305221.db2.gz OOHVKGGUSZZXKE-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330960308 263305223 /nfs/dbraw/zinc/30/52/23/263305223.db2.gz OOHVKGGUSZZXKE-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000408199353 263306162 /nfs/dbraw/zinc/30/61/62/263306162.db2.gz RGDWXCIJJGVGJP-RYUDHWBXSA-N 1 1 307.416 -1.568 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359437798 263306229 /nfs/dbraw/zinc/30/62/29/263306229.db2.gz ZPIAMOZAFDCVIP-VIFPVBQESA-N 1 1 324.403 -2.526 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC1=O)C[C@@H](O)CN1CCOCC1 ZINC000434994140 263306527 /nfs/dbraw/zinc/30/65/27/263306527.db2.gz HNMZQAHQJPOWKK-LLVKDONJSA-N 1 1 300.359 -1.837 20 0 DAADMO C[N@H+](CC(=O)N1CCNC1=O)C[C@@H](O)CN1CCOCC1 ZINC000434994140 263306530 /nfs/dbraw/zinc/30/65/30/263306530.db2.gz HNMZQAHQJPOWKK-LLVKDONJSA-N 1 1 300.359 -1.837 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@H]1C ZINC000334043229 263306825 /nfs/dbraw/zinc/30/68/25/263306825.db2.gz CXPGWYHZAHJCRJ-GHMZBOCLSA-N 1 1 322.431 -1.368 20 0 DAADMO Cn1nnc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000495185962 263306927 /nfs/dbraw/zinc/30/69/27/263306927.db2.gz AQNGIYUGQNWTPL-JTQLQIEISA-N 1 1 324.389 -1.403 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000358076097 263307434 /nfs/dbraw/zinc/30/74/34/263307434.db2.gz URRJDJZMXQYGDW-JSGCOSHPSA-N 1 1 301.387 -1.044 20 0 DAADMO O=C(C[N@@H+](CCO)CCCO)N1CCN(c2cnccn2)CC1 ZINC000348135720 263309036 /nfs/dbraw/zinc/30/90/36/263309036.db2.gz LVWAFQRNWGGXIM-UHFFFAOYSA-N 1 1 323.397 -1.198 20 0 DAADMO O=C(C[N@H+](CCO)CCCO)N1CCN(c2cnccn2)CC1 ZINC000348135720 263309039 /nfs/dbraw/zinc/30/90/39/263309039.db2.gz LVWAFQRNWGGXIM-UHFFFAOYSA-N 1 1 323.397 -1.198 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)CN(CC[NH3+])CCO)C1 ZINC000342398370 263309527 /nfs/dbraw/zinc/30/95/27/263309527.db2.gz GEQYJMUUFKGLLP-AWEZNQCLSA-N 1 1 316.446 -1.288 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000358574912 263309583 /nfs/dbraw/zinc/30/95/83/263309583.db2.gz VANORJSUWMNMQG-WVDJIFEKSA-N 1 1 307.416 -1.436 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000358574912 263309585 /nfs/dbraw/zinc/30/95/85/263309585.db2.gz VANORJSUWMNMQG-WVDJIFEKSA-N 1 1 307.416 -1.436 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000528622010 263310418 /nfs/dbraw/zinc/31/04/18/263310418.db2.gz GKGXXJRMOQGQRE-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000528622010 263310420 /nfs/dbraw/zinc/31/04/20/263310420.db2.gz GKGXXJRMOQGQRE-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000522273329 263310562 /nfs/dbraw/zinc/31/05/62/263310562.db2.gz YYLPYJJVDHUNBW-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000375622216 263310790 /nfs/dbraw/zinc/31/07/90/263310790.db2.gz BYTBKWSSTKLXDX-SECBINFHSA-N 1 1 306.388 -1.073 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCO1 ZINC000359320521 263312838 /nfs/dbraw/zinc/31/28/38/263312838.db2.gz QOIARAKYNSNXHW-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347968703 263313996 /nfs/dbraw/zinc/31/39/96/263313996.db2.gz OVTDDDOTRPBQIN-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359437790 263314138 /nfs/dbraw/zinc/31/41/38/263314138.db2.gz ZPIAMOZAFDCVIP-SECBINFHSA-N 1 1 324.403 -2.526 20 0 DAADMO CC[N@@H+](CCCO)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000348333199 263314188 /nfs/dbraw/zinc/31/41/88/263314188.db2.gz XTYKIBJBIKOKEB-UHFFFAOYSA-N 1 1 314.430 -1.077 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000494690145 263314342 /nfs/dbraw/zinc/31/43/42/263314342.db2.gz ZUIPXBMHCVYKLK-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C[N@H+]1CCO ZINC000416300692 263314963 /nfs/dbraw/zinc/31/49/63/263314963.db2.gz DUQLRXZCWIISNP-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(NCC[N@H+](C)C2CC2)n1 ZINC000341837553 263315164 /nfs/dbraw/zinc/31/51/64/263315164.db2.gz BSGOGPLLPAJCJV-UHFFFAOYSA-N 1 1 309.418 -1.132 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(NCC[N@@H+](C)C2CC2)n1 ZINC000341837553 263315167 /nfs/dbraw/zinc/31/51/67/263315167.db2.gz BSGOGPLLPAJCJV-UHFFFAOYSA-N 1 1 309.418 -1.132 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000342738499 263315517 /nfs/dbraw/zinc/31/55/17/263315517.db2.gz SQCNHKPYGIERNA-UHFFFAOYSA-N 1 1 322.369 -1.141 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285610 263316074 /nfs/dbraw/zinc/31/60/74/263316074.db2.gz ZDPDPRNFKAIYCF-GHMZBOCLSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285610 263316076 /nfs/dbraw/zinc/31/60/76/263316076.db2.gz ZDPDPRNFKAIYCF-GHMZBOCLSA-N 1 1 322.369 -1.129 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000374635269 263316706 /nfs/dbraw/zinc/31/67/06/263316706.db2.gz GVDQMMLKZJCMGH-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000374635269 263316707 /nfs/dbraw/zinc/31/67/07/263316707.db2.gz GVDQMMLKZJCMGH-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CN1CCN(C)C(=O)C1 ZINC000444009904 263317227 /nfs/dbraw/zinc/31/72/27/263317227.db2.gz NPPFJMQYRJNUOK-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000419678100 263317358 /nfs/dbraw/zinc/31/73/58/263317358.db2.gz NQTAFOVNIYMCLT-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000419678100 263317360 /nfs/dbraw/zinc/31/73/60/263317360.db2.gz NQTAFOVNIYMCLT-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000529722931 263317688 /nfs/dbraw/zinc/31/76/88/263317688.db2.gz ASMRBUAHPSMOLT-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000529722931 263317689 /nfs/dbraw/zinc/31/76/89/263317689.db2.gz ASMRBUAHPSMOLT-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000424173843 263318262 /nfs/dbraw/zinc/31/82/62/263318262.db2.gz OSICRNSGKSVQHG-MXWKQRLJSA-N 1 1 305.400 -1.097 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C(=O)C1=O ZINC000449578039 263318647 /nfs/dbraw/zinc/31/86/47/263318647.db2.gz YWVCIUSVPDSAOC-CQSZACIVSA-N 1 1 314.361 -1.163 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](C)CC1 ZINC000121129007 263319328 /nfs/dbraw/zinc/31/93/28/263319328.db2.gz SDZQUQBRIZDFTA-VIFPVBQESA-N 1 1 309.370 -1.515 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434988024 263319846 /nfs/dbraw/zinc/31/98/46/263319846.db2.gz QCHDATILWXUJAL-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)(F)CN)C[NH+]1CCOCC1 ZINC000419302489 263319863 /nfs/dbraw/zinc/31/98/63/263319863.db2.gz PTAUBBXRVJGXJL-SNVBAGLBSA-N 1 1 322.356 -1.219 20 0 DAADMO COC(=O)CN1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000331084833 263319888 /nfs/dbraw/zinc/31/98/88/263319888.db2.gz ZHDCQSRZWNAXTO-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CSCC1=O ZINC000340970639 263319968 /nfs/dbraw/zinc/31/99/68/263319968.db2.gz UOIQGHFPVPWKDR-JTQLQIEISA-N 1 1 314.411 -1.025 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000358574049 263320459 /nfs/dbraw/zinc/32/04/59/263320459.db2.gz PANFZRPQSIYFOE-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(C)[C@H](CNC(=O)CN1CCNCC1=O)[NH+]1CCOCC1 ZINC000236658411 263320658 /nfs/dbraw/zinc/32/06/58/263320658.db2.gz GLJPPTZWWZTGBN-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444382417 263322693 /nfs/dbraw/zinc/32/26/93/263322693.db2.gz LQWQAJAJZXSGGA-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362661482 263323117 /nfs/dbraw/zinc/32/31/17/263323117.db2.gz FGXPXUBGRFFYSH-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738844 263323482 /nfs/dbraw/zinc/32/34/82/263323482.db2.gz SZYFHAKDRVKQPQ-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738844 263323483 /nfs/dbraw/zinc/32/34/83/263323483.db2.gz SZYFHAKDRVKQPQ-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCO ZINC000410936532 263324769 /nfs/dbraw/zinc/32/47/69/263324769.db2.gz IEIZPIVDRITCHW-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCO ZINC000410936532 263324770 /nfs/dbraw/zinc/32/47/70/263324770.db2.gz IEIZPIVDRITCHW-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408005547 263324793 /nfs/dbraw/zinc/32/47/93/263324793.db2.gz RCFRQNXMTVNNMU-VXGBXAGGSA-N 1 1 318.443 -1.098 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)O1 ZINC000527549706 263325198 /nfs/dbraw/zinc/32/51/98/263325198.db2.gz MBEAXLUHUJAFCF-UMVBOHGHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)O1 ZINC000527549706 263325200 /nfs/dbraw/zinc/32/52/00/263325200.db2.gz MBEAXLUHUJAFCF-UMVBOHGHSA-N 1 1 315.414 -1.095 20 0 DAADMO COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351609222 263325561 /nfs/dbraw/zinc/32/55/61/263325561.db2.gz KIMZDBOSDWQMER-VXGBXAGGSA-N 1 1 320.411 -1.287 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000351655819 263325678 /nfs/dbraw/zinc/32/56/78/263325678.db2.gz BGAMYRZZDRXLON-VIFPVBQESA-N 1 1 323.353 -1.010 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccn(C)n2)C1 ZINC000343906472 263326336 /nfs/dbraw/zinc/32/63/36/263326336.db2.gz HFYXHAVGXUZLGZ-LBPRGKRZSA-N 1 1 309.370 -1.127 20 0 DAADMO Cn1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000352527244 263326733 /nfs/dbraw/zinc/32/67/33/263326733.db2.gz YERXBECBPSKVSN-CYBMUJFWSA-N 1 1 307.398 -1.437 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001194471789 782037838 /nfs/dbraw/zinc/03/78/38/782037838.db2.gz OSZBSFXHDXCVSE-QMMMGPOBSA-N 1 1 310.314 -1.281 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001194471789 782037846 /nfs/dbraw/zinc/03/78/46/782037846.db2.gz OSZBSFXHDXCVSE-QMMMGPOBSA-N 1 1 310.314 -1.281 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194449633 782038060 /nfs/dbraw/zinc/03/80/60/782038060.db2.gz VXDSOEDHZQBKOH-SNVBAGLBSA-N 1 1 308.342 -1.389 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194449633 782038069 /nfs/dbraw/zinc/03/80/69/782038069.db2.gz VXDSOEDHZQBKOH-SNVBAGLBSA-N 1 1 308.342 -1.389 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194424164 782038111 /nfs/dbraw/zinc/03/81/11/782038111.db2.gz OZOXTTICWCJAQJ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194424164 782038120 /nfs/dbraw/zinc/03/81/20/782038120.db2.gz OZOXTTICWCJAQJ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194468235 782038405 /nfs/dbraw/zinc/03/84/05/782038405.db2.gz JMHCBUGUMSWIEF-GHMZBOCLSA-N 1 1 302.375 -1.631 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001194436853 782039274 /nfs/dbraw/zinc/03/92/74/782039274.db2.gz LPNXWPIUESLQPG-DGCLKSJQSA-N 1 1 324.381 -1.065 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194485060 782039480 /nfs/dbraw/zinc/03/94/80/782039480.db2.gz SBTYAZZUQLBEMO-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194485060 782039490 /nfs/dbraw/zinc/03/94/90/782039490.db2.gz SBTYAZZUQLBEMO-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCCC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001194493289 782040044 /nfs/dbraw/zinc/04/00/44/782040044.db2.gz FIXJHRSJUDMBFI-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194545746 782039595 /nfs/dbraw/zinc/03/95/95/782039595.db2.gz OLERVDWEWRMODM-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194545746 782039603 /nfs/dbraw/zinc/03/96/03/782039603.db2.gz OLERVDWEWRMODM-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194546149 782039825 /nfs/dbraw/zinc/03/98/25/782039825.db2.gz QBFUXTGGSIIKQN-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194546149 782039832 /nfs/dbraw/zinc/03/98/32/782039832.db2.gz QBFUXTGGSIIKQN-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194546151 782039945 /nfs/dbraw/zinc/03/99/45/782039945.db2.gz QBFUXTGGSIIKQN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194546151 782039955 /nfs/dbraw/zinc/03/99/55/782039955.db2.gz QBFUXTGGSIIKQN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194544212 782040165 /nfs/dbraw/zinc/04/01/65/782040165.db2.gz IVHHLTYXNWWEGL-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194544212 782040174 /nfs/dbraw/zinc/04/01/74/782040174.db2.gz IVHHLTYXNWWEGL-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001194546276 782040417 /nfs/dbraw/zinc/04/04/17/782040417.db2.gz RGSQAHQVNVJVAZ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001194546276 782040424 /nfs/dbraw/zinc/04/04/24/782040424.db2.gz RGSQAHQVNVJVAZ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194508863 782040825 /nfs/dbraw/zinc/04/08/25/782040825.db2.gz UXVBYRYCVVWAPC-GHMZBOCLSA-N 1 1 313.354 -1.931 20 0 DAADMO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC001194703050 782042842 /nfs/dbraw/zinc/04/28/42/782042842.db2.gz QOHPQGOGUKGADG-NSHDSACASA-N 1 1 308.342 -1.041 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194803101 782046871 /nfs/dbraw/zinc/04/68/71/782046871.db2.gz YNKOQSJNAQNRAQ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194803101 782046881 /nfs/dbraw/zinc/04/68/81/782046881.db2.gz YNKOQSJNAQNRAQ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3cnccn3)cn2)[C@H]2NCN[C@H]21 ZINC001194733794 782043806 /nfs/dbraw/zinc/04/38/06/782043806.db2.gz MBBNQDRJPXWCNQ-QJPTWQEYSA-N 1 1 315.341 -2.205 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194694574 782043922 /nfs/dbraw/zinc/04/39/22/782043922.db2.gz SGLPKAPVJJCXGK-YNEHKIRRSA-N 1 1 313.354 -1.224 20 0 DAADMO Cc1[nH]c(=O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1Cl ZINC001194711367 782044183 /nfs/dbraw/zinc/04/41/83/782044183.db2.gz RBIGCFZPGCIIKA-UTLUCORTSA-N 1 1 312.761 -1.118 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001194778172 782045436 /nfs/dbraw/zinc/04/54/36/782045436.db2.gz PNFRNCISYFIKCC-JHJVBQTASA-N 1 1 316.398 -1.028 20 0 DAADMO COCCOCC[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC001194761197 782047358 /nfs/dbraw/zinc/04/73/58/782047358.db2.gz CXDUDTARZSEWLE-UHFFFAOYSA-N 1 1 312.374 -1.130 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194841043 782045827 /nfs/dbraw/zinc/04/58/27/782045827.db2.gz XMUNAQMRVFOYGW-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO COCCOCC[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194795600 782046180 /nfs/dbraw/zinc/04/61/80/782046180.db2.gz RGYRVYIJIMZBRN-UHFFFAOYSA-N 1 1 302.375 -1.148 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194803103 782046526 /nfs/dbraw/zinc/04/65/26/782046526.db2.gz YNKOQSJNAQNRAQ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194803103 782046536 /nfs/dbraw/zinc/04/65/36/782046536.db2.gz YNKOQSJNAQNRAQ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]2CCc3ncnn32)CC1 ZINC001194802455 782046610 /nfs/dbraw/zinc/04/66/10/782046610.db2.gz IZEPNHFHQDTWEB-LLVKDONJSA-N 1 1 321.385 -1.032 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194754829 782048124 /nfs/dbraw/zinc/04/81/24/782048124.db2.gz PZNJIFDXVICMPD-CMPLNLGQSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194754829 782048135 /nfs/dbraw/zinc/04/81/35/782048135.db2.gz PZNJIFDXVICMPD-CMPLNLGQSA-N 1 1 324.381 -1.150 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)O1 ZINC001194847388 782048728 /nfs/dbraw/zinc/04/87/28/782048728.db2.gz ACGWKILMWYKDRB-KKOKHZNYSA-N 1 1 315.370 -2.047 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001194882834 782049838 /nfs/dbraw/zinc/04/98/38/782049838.db2.gz IHKUQVAHMJGRCM-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194865414 782050024 /nfs/dbraw/zinc/05/00/24/782050024.db2.gz FQDPGKVMYRGXAM-SYQHCUMBSA-N 1 1 316.398 -1.028 20 0 DAADMO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194865414 782050036 /nfs/dbraw/zinc/05/00/36/782050036.db2.gz FQDPGKVMYRGXAM-SYQHCUMBSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CNC(=O)C1 ZINC001194886845 782050115 /nfs/dbraw/zinc/05/01/15/782050115.db2.gz NFJNTGGQLCMBJP-GYSYKLTISA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CNC(=O)C1 ZINC001194886845 782050127 /nfs/dbraw/zinc/05/01/27/782050127.db2.gz NFJNTGGQLCMBJP-GYSYKLTISA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC(F)F)C1 ZINC001194943381 782051312 /nfs/dbraw/zinc/05/13/12/782051312.db2.gz YPQAAQMPCYDDSN-IVZWLZJFSA-N 1 1 312.313 -1.563 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194953013 782051616 /nfs/dbraw/zinc/05/16/16/782051616.db2.gz YGPDIIXLHBTZPY-HBNTYKKESA-N 1 1 313.358 -2.486 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194953007 782051642 /nfs/dbraw/zinc/05/16/42/782051642.db2.gz YGPDIIXLHBTZPY-GMTAPVOTSA-N 1 1 313.358 -2.486 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645259 279385027 /nfs/dbraw/zinc/38/50/27/279385027.db2.gz JPQSNPONYDBBGG-IJLUTSLNSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645259 279385028 /nfs/dbraw/zinc/38/50/28/279385028.db2.gz JPQSNPONYDBBGG-IJLUTSLNSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)C1 ZINC000364645259 279385029 /nfs/dbraw/zinc/38/50/29/279385029.db2.gz JPQSNPONYDBBGG-IJLUTSLNSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)C1 ZINC000364645259 279385030 /nfs/dbraw/zinc/38/50/30/279385030.db2.gz JPQSNPONYDBBGG-IJLUTSLNSA-N 1 1 315.370 -1.705 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194943216 782052286 /nfs/dbraw/zinc/05/22/86/782052286.db2.gz XRDKJYXIPVLKSK-VXGBXAGGSA-N 1 1 311.386 -1.211 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194996406 782052702 /nfs/dbraw/zinc/05/27/02/782052702.db2.gz CETIHRGSMGXCID-HBNTYKKESA-N 1 1 322.431 -1.752 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCOCC1 ZINC001195038213 782053222 /nfs/dbraw/zinc/05/32/22/782053222.db2.gz RLFYEWIHLUCCHB-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCOCC1 ZINC001195038213 782053232 /nfs/dbraw/zinc/05/32/32/782053232.db2.gz RLFYEWIHLUCCHB-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001194998189 782053660 /nfs/dbraw/zinc/05/36/60/782053660.db2.gz ZQFDOTRMWZLQAH-OPRDCNLKSA-N 1 1 324.403 -2.764 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCOCC1 ZINC001195038214 782053360 /nfs/dbraw/zinc/05/33/60/782053360.db2.gz RLFYEWIHLUCCHB-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCOCC1 ZINC001195038214 782053371 /nfs/dbraw/zinc/05/33/71/782053371.db2.gz RLFYEWIHLUCCHB-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001194996823 782053550 /nfs/dbraw/zinc/05/35/50/782053550.db2.gz IQFJXQVKPISIHO-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc(Cl)c2Cl)[C@H]2NCN[C@@H]21 ZINC001195035122 782054279 /nfs/dbraw/zinc/05/42/79/782054279.db2.gz XTUIFKLTUBBRNX-FTLITQJKSA-N 1 1 318.168 -1.084 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn(C)c1 ZINC001195029258 782054318 /nfs/dbraw/zinc/05/43/18/782054318.db2.gz BSIBHSXTKXKPHN-UPJWGTAASA-N 1 1 312.370 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001195011227 782054507 /nfs/dbraw/zinc/05/45/07/782054507.db2.gz GHLKCNFAHCETHN-NXEZZACHSA-N 1 1 306.388 -2.389 20 0 DAADMO CCOC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001195113951 782055051 /nfs/dbraw/zinc/05/50/51/782055051.db2.gz HHRXBTWLUPGBNY-AGIUHOORSA-N 1 1 319.365 -1.004 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001195198329 782056789 /nfs/dbraw/zinc/05/67/89/782056789.db2.gz OULVWEYVQZDXRK-GHMZBOCLSA-N 1 1 313.358 -1.449 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001195198329 782056800 /nfs/dbraw/zinc/05/68/00/782056800.db2.gz OULVWEYVQZDXRK-GHMZBOCLSA-N 1 1 313.358 -1.449 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CCNC1=O ZINC001195271611 782059361 /nfs/dbraw/zinc/05/93/61/782059361.db2.gz NYIKXBXARFSFDY-YNEHKIRRSA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CCNC1=O ZINC001195272691 782058738 /nfs/dbraw/zinc/05/87/38/782058738.db2.gz YDAHYCBBIWUETJ-IVZWLZJFSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CCNC1=O ZINC001195272691 782058746 /nfs/dbraw/zinc/05/87/46/782058746.db2.gz YDAHYCBBIWUETJ-IVZWLZJFSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195271610 782060024 /nfs/dbraw/zinc/06/00/24/782060024.db2.gz NYIKXBXARFSFDY-JHJVBQTASA-N 1 1 311.382 -1.290 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001195295598 782061113 /nfs/dbraw/zinc/06/11/13/782061113.db2.gz UBOGTZBHYWYGIX-HBNTYKKESA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001195295598 782061124 /nfs/dbraw/zinc/06/11/24/782061124.db2.gz UBOGTZBHYWYGIX-HBNTYKKESA-N 1 1 310.358 -2.049 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195363464 782063071 /nfs/dbraw/zinc/06/30/71/782063071.db2.gz ASLVOCRCHVIFEJ-GFCCVEGCSA-N 1 1 317.386 -1.580 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195363465 782063108 /nfs/dbraw/zinc/06/31/08/782063108.db2.gz ASLVOCRCHVIFEJ-LBPRGKRZSA-N 1 1 317.386 -1.580 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)n1 ZINC001195365397 782064049 /nfs/dbraw/zinc/06/40/49/782064049.db2.gz FBTQEAUPRVDJSB-VXGBXAGGSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)n1 ZINC001195365397 782064039 /nfs/dbraw/zinc/06/40/39/782064039.db2.gz FBTQEAUPRVDJSB-VXGBXAGGSA-N 1 1 324.385 -1.198 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365464 782065090 /nfs/dbraw/zinc/06/50/90/782065090.db2.gz FODDUIXBTBUFFU-GHMZBOCLSA-N 1 1 312.374 -1.342 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365464 782065099 /nfs/dbraw/zinc/06/50/99/782065099.db2.gz FODDUIXBTBUFFU-GHMZBOCLSA-N 1 1 312.374 -1.342 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195514336 782068054 /nfs/dbraw/zinc/06/80/54/782068054.db2.gz INHHYVGDOHWHHE-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1C ZINC001195601087 782070324 /nfs/dbraw/zinc/07/03/24/782070324.db2.gz AYAYJNRVTXBJQZ-DGCLKSJQSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1C ZINC001195601087 782070330 /nfs/dbraw/zinc/07/03/30/782070330.db2.gz AYAYJNRVTXBJQZ-DGCLKSJQSA-N 1 1 312.370 -1.488 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001195594480 782070768 /nfs/dbraw/zinc/07/07/68/782070768.db2.gz OZVJLPHECDGVSW-BZPMIXESSA-N 1 1 320.361 -1.061 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001195594480 782070777 /nfs/dbraw/zinc/07/07/77/782070777.db2.gz OZVJLPHECDGVSW-BZPMIXESSA-N 1 1 320.361 -1.061 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001195621147 782072286 /nfs/dbraw/zinc/07/22/86/782072286.db2.gz WCEGHRSOUBHLHA-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195561647 782073216 /nfs/dbraw/zinc/07/32/16/782073216.db2.gz YMUKZIGVNDQEEX-IRCOFANPSA-N 1 1 315.370 -2.224 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195561646 782073564 /nfs/dbraw/zinc/07/35/64/782073564.db2.gz YMUKZIGVNDQEEX-DDHJBXDOSA-N 1 1 315.370 -2.224 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195690738 782075375 /nfs/dbraw/zinc/07/53/75/782075375.db2.gz DSRKTHLBNOAQSW-HBNTYKKESA-N 1 1 302.350 -1.031 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195691193 782075484 /nfs/dbraw/zinc/07/54/84/782075484.db2.gz JXKGPOASGNNOLZ-IWSPIJDZSA-N 1 1 322.312 -1.889 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195691193 782075495 /nfs/dbraw/zinc/07/54/95/782075495.db2.gz JXKGPOASGNNOLZ-IWSPIJDZSA-N 1 1 322.312 -1.889 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001195654051 782075509 /nfs/dbraw/zinc/07/55/09/782075509.db2.gz LAXRZAKCTCFZMR-MRVWCRGKSA-N 1 1 324.381 -1.003 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625415 782073832 /nfs/dbraw/zinc/07/38/32/782073832.db2.gz LVKLOXTZQVSFSY-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195654130 782074655 /nfs/dbraw/zinc/07/46/55/782074655.db2.gz NCGAIDKPMWYDNG-RAIGVLPGSA-N 1 1 312.370 -1.005 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001195681482 782074886 /nfs/dbraw/zinc/07/48/86/782074886.db2.gz DKJMIXOUSBIECY-WDEREUQCSA-N 1 1 301.343 -1.364 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747458 782081306 /nfs/dbraw/zinc/08/13/06/782081306.db2.gz TYBGLVJYXUEDSS-IVZWLZJFSA-N 1 1 309.388 -2.403 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195753205 782081656 /nfs/dbraw/zinc/08/16/56/782081656.db2.gz JNYGRVPVBOQBCG-GHMZBOCLSA-N 1 1 307.416 -1.128 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001195783884 782083102 /nfs/dbraw/zinc/08/31/02/782083102.db2.gz WPBURRRAYWMIEJ-IJLUTSLNSA-N 1 1 311.382 -1.018 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001195788996 782083756 /nfs/dbraw/zinc/08/37/56/782083756.db2.gz ASZVWTODCQTQEU-VXGBXAGGSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)CC1 ZINC001195788996 782083767 /nfs/dbraw/zinc/08/37/67/782083767.db2.gz ASZVWTODCQTQEU-VXGBXAGGSA-N 1 1 311.382 -1.160 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195692297 782077393 /nfs/dbraw/zinc/07/73/93/782077393.db2.gz YTOBJUXQVIBBLP-QJPTWQEYSA-N 1 1 314.386 -1.498 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195692297 782077402 /nfs/dbraw/zinc/07/74/02/782077402.db2.gz YTOBJUXQVIBBLP-QJPTWQEYSA-N 1 1 314.386 -1.498 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195746551 782078126 /nfs/dbraw/zinc/07/81/26/782078126.db2.gz LEQGIWWFJGYGPX-HBNTYKKESA-N 1 1 323.415 -1.749 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195717825 782078149 /nfs/dbraw/zinc/07/81/49/782078149.db2.gz KPCGVTYECGYTNH-IJLUTSLNSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001195736184 782079330 /nfs/dbraw/zinc/07/93/30/782079330.db2.gz HJGHYOOUYJMRGU-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccnc2OC(F)F)[C@@H]2NCN[C@H]21 ZINC001195742990 782079360 /nfs/dbraw/zinc/07/93/60/782079360.db2.gz ULOOIGBLNBCJHA-YIZRAAEISA-N 1 1 314.296 -1.184 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001195746645 782079429 /nfs/dbraw/zinc/07/94/29/782079429.db2.gz NIWFXJDCNQZFGT-NXEZZACHSA-N 1 1 309.388 -2.401 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195718130 782079459 /nfs/dbraw/zinc/07/94/59/782079459.db2.gz NVZUSIVLKGGVEV-GMTAPVOTSA-N 1 1 300.359 -1.746 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195718272 782079561 /nfs/dbraw/zinc/07/95/61/782079561.db2.gz RSWDLIYOWPQQJO-HBNTYKKESA-N 1 1 300.359 -1.744 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195718271 782079609 /nfs/dbraw/zinc/07/96/09/782079609.db2.gz RSWDLIYOWPQQJO-GMTAPVOTSA-N 1 1 300.359 -1.744 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccnc2OC(F)F)[C@H]2NCN[C@@H]21 ZINC001195742989 782079734 /nfs/dbraw/zinc/07/97/34/782079734.db2.gz ULOOIGBLNBCJHA-IWSPIJDZSA-N 1 1 314.296 -1.184 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001195716892 782079883 /nfs/dbraw/zinc/07/98/83/782079883.db2.gz CTQKHLJQCJYETH-MGPQQGTHSA-N 1 1 321.377 -1.373 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718509 782079947 /nfs/dbraw/zinc/07/99/47/782079947.db2.gz ZYYUPMDYFSUGFT-OPRDCNLKSA-N 1 1 305.331 -3.343 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195718509 782079956 /nfs/dbraw/zinc/07/99/56/782079956.db2.gz ZYYUPMDYFSUGFT-OPRDCNLKSA-N 1 1 305.331 -3.343 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195783140 782080302 /nfs/dbraw/zinc/08/03/02/782080302.db2.gz BPTFKYNYLGXIKV-QJPTWQEYSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195783139 782080594 /nfs/dbraw/zinc/08/05/94/782080594.db2.gz BPTFKYNYLGXIKV-IJLUTSLNSA-N 1 1 311.382 -1.160 20 0 DAADMO COCCC[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001195893279 782084906 /nfs/dbraw/zinc/08/49/06/782084906.db2.gz DDXZHLCCNZSLSF-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001195881297 782086684 /nfs/dbraw/zinc/08/66/84/782086684.db2.gz DCPQAOZGDJMMPC-MGPQQGTHSA-N 1 1 314.382 -1.108 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981290 782088122 /nfs/dbraw/zinc/08/81/22/782088122.db2.gz SXODHOSFOBTYGD-AAVRWANBSA-N 1 1 317.430 -1.259 20 0 DAADMO Cn1cccc1-c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)no1 ZINC001196008663 782088507 /nfs/dbraw/zinc/08/85/07/782088507.db2.gz FGKFIFDUDBNQJP-AGIUHOORSA-N 1 1 317.353 -1.187 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196028831 782090738 /nfs/dbraw/zinc/09/07/38/782090738.db2.gz BVOJMWSUQLEGOO-UTUOFQBUSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196028831 782090746 /nfs/dbraw/zinc/09/07/46/782090746.db2.gz BVOJMWSUQLEGOO-UTUOFQBUSA-N 1 1 313.358 -1.899 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001196146778 782091825 /nfs/dbraw/zinc/09/18/25/782091825.db2.gz ZIFTYUSRSHYABJ-WISYIIOYSA-N 1 1 315.370 -1.783 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196167641 782093847 /nfs/dbraw/zinc/09/38/47/782093847.db2.gz DXPDMAGJGZEQRW-JHJVBQTASA-N 1 1 312.414 -1.374 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196159914 782093712 /nfs/dbraw/zinc/09/37/12/782093712.db2.gz CRWMCDSVSDEBSK-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196184710 782093769 /nfs/dbraw/zinc/09/37/69/782093769.db2.gz FXSWRXYIHCRXFI-YVECIDJPSA-N 1 1 311.382 -1.304 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC001196033826 782092699 /nfs/dbraw/zinc/09/26/99/782092699.db2.gz SOXWKFCCQRQVEM-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001196040015 782092798 /nfs/dbraw/zinc/09/27/98/782092798.db2.gz AMLAITLHHKJFFX-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196184710 782093778 /nfs/dbraw/zinc/09/37/78/782093778.db2.gz FXSWRXYIHCRXFI-YVECIDJPSA-N 1 1 311.382 -1.304 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCNC1=O ZINC001196138153 782092931 /nfs/dbraw/zinc/09/29/31/782092931.db2.gz LBXFWIRZSXJRQW-JTNHKYCSSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCNC1=O ZINC001196138153 782092941 /nfs/dbraw/zinc/09/29/41/782092941.db2.gz LBXFWIRZSXJRQW-JTNHKYCSSA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001196191793 782094405 /nfs/dbraw/zinc/09/44/05/782094405.db2.gz MRUYIFHDJJKSNV-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196199139 782094013 /nfs/dbraw/zinc/09/40/13/782094013.db2.gz CIFJERAOVAAZPC-VXGBXAGGSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001196229149 782094287 /nfs/dbraw/zinc/09/42/87/782094287.db2.gz UPRAYRGQXXXXSO-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001196229149 782094293 /nfs/dbraw/zinc/09/42/93/782094293.db2.gz UPRAYRGQXXXXSO-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001196191792 782094516 /nfs/dbraw/zinc/09/45/16/782094516.db2.gz MRUYIFHDJJKSNV-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CCS(C)(=O)=O)CC1 ZINC000557101687 331770316 /nfs/dbraw/zinc/77/03/16/331770316.db2.gz PPLJHLHIHBNVDW-UHFFFAOYSA-N 1 1 305.400 -1.299 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)NC)CC2)C1 ZINC000577641782 332304272 /nfs/dbraw/zinc/30/42/72/332304272.db2.gz UMFNIRFWVMZGSL-NSHDSACASA-N 1 1 320.415 -1.685 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)NC)CC2)C1 ZINC000577641782 332304273 /nfs/dbraw/zinc/30/42/73/332304273.db2.gz UMFNIRFWVMZGSL-NSHDSACASA-N 1 1 320.415 -1.685 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000580342368 335113954 /nfs/dbraw/zinc/11/39/54/335113954.db2.gz ZANZYCKZCWVVLV-NEPJUHHUSA-N 1 1 309.432 -1.451 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000580342375 335114312 /nfs/dbraw/zinc/11/43/12/335114312.db2.gz ZANZYCKZCWVVLV-VXGBXAGGSA-N 1 1 309.432 -1.451 20 0 DAADMO COCCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1=O ZINC000582040969 333182044 /nfs/dbraw/zinc/18/20/44/333182044.db2.gz JTBUHFXQAOLTNO-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563110001 333391535 /nfs/dbraw/zinc/39/15/35/333391535.db2.gz YLMHBSGBTKCVJP-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000563245199 333508256 /nfs/dbraw/zinc/50/82/56/333508256.db2.gz MCVITUIUCBQOEM-YWPYICTPSA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(c1csnn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571329546 333749917 /nfs/dbraw/zinc/74/99/17/333749917.db2.gz CKQRNQANQJFQBL-UHFFFAOYSA-N 1 1 317.396 -1.403 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](CCO)C2CCC2)c(=O)n(C)c1=O ZINC000275892314 334073815 /nfs/dbraw/zinc/07/38/15/334073815.db2.gz SINYQJJVWFCIAP-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](CCO)C2CCC2)c(=O)n(C)c1=O ZINC000275892314 334073817 /nfs/dbraw/zinc/07/38/17/334073817.db2.gz SINYQJJVWFCIAP-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001196207467 782096217 /nfs/dbraw/zinc/09/62/17/782096217.db2.gz FSYQQFNZWKDDEY-XQHKEYJVSA-N 1 1 323.411 -1.246 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001196207467 782096220 /nfs/dbraw/zinc/09/62/20/782096220.db2.gz FSYQQFNZWKDDEY-XQHKEYJVSA-N 1 1 323.411 -1.246 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000333819401 336210500 /nfs/dbraw/zinc/21/05/00/336210500.db2.gz KQTHMBVYVXQDJM-KBPBESRZSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000333819412 336210511 /nfs/dbraw/zinc/21/05/11/336210511.db2.gz KQTHMBVYVXQDJM-UONOGXRCSA-N 1 1 313.446 -1.012 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196320952 782101154 /nfs/dbraw/zinc/10/11/54/782101154.db2.gz QOISMWJUXPADKJ-RAIGVLPGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196320952 782101163 /nfs/dbraw/zinc/10/11/63/782101163.db2.gz QOISMWJUXPADKJ-RAIGVLPGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196320952 782101169 /nfs/dbraw/zinc/10/11/69/782101169.db2.gz QOISMWJUXPADKJ-RAIGVLPGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196320952 782101175 /nfs/dbraw/zinc/10/11/75/782101175.db2.gz QOISMWJUXPADKJ-RAIGVLPGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196320952 782101181 /nfs/dbraw/zinc/10/11/81/782101181.db2.gz QOISMWJUXPADKJ-RAIGVLPGSA-N 1 1 309.370 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2cccnc2)C1 ZINC001196338955 782101903 /nfs/dbraw/zinc/10/19/03/782101903.db2.gz MVKGPFMEMPTBNX-CYZMBNFOSA-N 1 1 322.365 -1.647 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](C)OC)CC1 ZINC001196656989 782109046 /nfs/dbraw/zinc/10/90/46/782109046.db2.gz XTYFDQFVPDAJAX-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196489291 782104242 /nfs/dbraw/zinc/10/42/42/782104242.db2.gz DQKIZSDORABRRH-NXEZZACHSA-N 1 1 308.404 -2.048 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001196422328 782104506 /nfs/dbraw/zinc/10/45/06/782104506.db2.gz YLSPFDDSJMMNDW-MVWJERBFSA-N 1 1 319.427 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196490782 782105432 /nfs/dbraw/zinc/10/54/32/782105432.db2.gz VBFZUVBBQPOINK-RKDXNWHRSA-N 1 1 310.376 -3.464 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001196631222 782106096 /nfs/dbraw/zinc/10/60/96/782106096.db2.gz FQMOUVPSDCGFPG-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001196631222 782106102 /nfs/dbraw/zinc/10/61/02/782106102.db2.gz FQMOUVPSDCGFPG-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196598018 782106174 /nfs/dbraw/zinc/10/61/74/782106174.db2.gz AJZXFZIIRIKXPB-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196598018 782106181 /nfs/dbraw/zinc/10/61/81/782106181.db2.gz AJZXFZIIRIKXPB-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO O=C(COC[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196550764 782106579 /nfs/dbraw/zinc/10/65/79/782106579.db2.gz UWEOLVHCHFSNAS-YNEHKIRRSA-N 1 1 302.371 -1.417 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110482049 782106850 /nfs/dbraw/zinc/10/68/50/782106850.db2.gz QWQWYWITFYJVET-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C)CCN1C[C@H](O)CN1CCOCC1 ZINC001251022697 782107810 /nfs/dbraw/zinc/10/78/10/782107810.db2.gz GIAVNSJRHXCFPY-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)CN1CCOCC1 ZINC001251022697 782107811 /nfs/dbraw/zinc/10/78/11/782107811.db2.gz GIAVNSJRHXCFPY-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)on2)[C@H]2NCN[C@@H]21 ZINC001196228389 782097044 /nfs/dbraw/zinc/09/70/44/782097044.db2.gz CEVRVFZVFRFHJF-JHJVBQTASA-N 1 1 315.337 -1.131 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001196215218 782097439 /nfs/dbraw/zinc/09/74/39/782097439.db2.gz WWFPLWZZMVSKBR-IACUBPJLSA-N 1 1 323.397 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)on2)[C@@H]2NCN[C@H]21 ZINC001196228393 782097535 /nfs/dbraw/zinc/09/75/35/782097535.db2.gz CEVRVFZVFRFHJF-XQQFMLRXSA-N 1 1 315.337 -1.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001196235558 782098265 /nfs/dbraw/zinc/09/82/65/782098265.db2.gz YBHPEAKXRJVLJG-YNEHKIRRSA-N 1 1 312.370 -1.640 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196235532 782098797 /nfs/dbraw/zinc/09/87/97/782098797.db2.gz XQTXIZGAPMWPGK-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOCC[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001196724240 782109139 /nfs/dbraw/zinc/10/91/39/782109139.db2.gz DBZABWICULUQHE-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196739574 782109805 /nfs/dbraw/zinc/10/98/05/782109805.db2.gz PYNSWMAKZFCMPU-NXEZZACHSA-N 1 1 323.415 -1.878 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196739574 782109810 /nfs/dbraw/zinc/10/98/10/782109810.db2.gz PYNSWMAKZFCMPU-NXEZZACHSA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739406 782109999 /nfs/dbraw/zinc/10/99/99/782109999.db2.gz OFWKMYRWOOEBCL-HBNTYKKESA-N 1 1 303.359 -2.367 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196740032 782110021 /nfs/dbraw/zinc/11/00/21/782110021.db2.gz SUMDYWLUSGDXQW-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196733447 782110287 /nfs/dbraw/zinc/11/02/87/782110287.db2.gz WQANOSVWFIRWOX-CHWSQXEVSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196733447 782110293 /nfs/dbraw/zinc/11/02/93/782110293.db2.gz WQANOSVWFIRWOX-CHWSQXEVSA-N 1 1 323.397 -1.132 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739405 782110323 /nfs/dbraw/zinc/11/03/23/782110323.db2.gz OFWKMYRWOOEBCL-GMTAPVOTSA-N 1 1 303.359 -2.367 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582615051 337114822 /nfs/dbraw/zinc/11/48/22/337114822.db2.gz VSDOKGYNMCNQOA-UHFFFAOYSA-N 1 1 301.372 -1.002 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000582710649 337123559 /nfs/dbraw/zinc/12/35/59/337123559.db2.gz LXLKYUYBIJNSPE-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C1 ZINC000582868708 337209167 /nfs/dbraw/zinc/20/91/67/337209167.db2.gz JPBSIQHTSUVSIX-MJBXVCDLSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C1 ZINC000582868708 337209168 /nfs/dbraw/zinc/20/91/68/337209168.db2.gz JPBSIQHTSUVSIX-MJBXVCDLSA-N 1 1 313.398 -1.211 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000584535738 337358109 /nfs/dbraw/zinc/35/81/09/337358109.db2.gz WYFHBYYXGHCPRB-OAHLLOKOSA-N 1 1 308.382 -1.159 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1=O ZINC000580405822 337398351 /nfs/dbraw/zinc/39/83/51/337398351.db2.gz ZPYJYKPTMCTISL-UHFFFAOYSA-N 1 1 308.382 -1.016 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[S@@](=O)C2)CC1 ZINC000332951592 337669999 /nfs/dbraw/zinc/66/99/99/337669999.db2.gz YBVHKGBPBXKXQC-WIUDPPPLSA-N 1 1 316.427 -1.029 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196739548 782110700 /nfs/dbraw/zinc/11/07/00/782110700.db2.gz PPQUMJLEMJVSQY-GHMZBOCLSA-N 1 1 303.359 -2.365 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001196733148 782110992 /nfs/dbraw/zinc/11/09/92/782110992.db2.gz YUZIQYVWHZOCIV-NWDGAFQWSA-N 1 1 314.386 -1.448 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2nnnn2CC2CC2)C1 ZINC000547780721 341232230 /nfs/dbraw/zinc/23/22/30/341232230.db2.gz VLLPXDYOPBGQFV-CYBMUJFWSA-N 1 1 309.374 -1.051 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)c(=O)n(C)c1=O ZINC000551041655 341330013 /nfs/dbraw/zinc/33/00/13/341330013.db2.gz CWXOGRBFSBKEIV-UHFFFAOYSA-N 1 1 323.397 -1.125 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000566860682 341570189 /nfs/dbraw/zinc/57/01/89/341570189.db2.gz CKUOVJXHIZGZAR-UHFFFAOYSA-N 1 1 301.372 -1.200 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(C)C ZINC000568170404 341656192 /nfs/dbraw/zinc/65/61/92/341656192.db2.gz KJPRXCISTJENHX-GWCFXTLKSA-N 1 1 301.343 -1.466 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000572604613 341697744 /nfs/dbraw/zinc/69/77/44/341697744.db2.gz UBJSWPBWSQDYJU-UHFFFAOYSA-N 1 1 318.399 -2.090 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000580563704 341879604 /nfs/dbraw/zinc/87/96/04/341879604.db2.gz JXOZJMFOWZEOHM-NSHDSACASA-N 1 1 324.403 -2.760 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)CC2 ZINC000577071761 341883452 /nfs/dbraw/zinc/88/34/52/341883452.db2.gz XJYJGWCLSBPXKF-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)CCCC1 ZINC001196852381 782114137 /nfs/dbraw/zinc/11/41/37/782114137.db2.gz DEYQYYRNHOFQFC-CYZMBNFOSA-N 1 1 313.398 -1.023 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCCC1 ZINC001196860863 782114370 /nfs/dbraw/zinc/11/43/70/782114370.db2.gz OOUZUIMFHLHFEV-CHWSQXEVSA-N 1 1 313.398 -1.021 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)CNC(C)=O)C1 ZINC001196883677 782114634 /nfs/dbraw/zinc/11/46/34/782114634.db2.gz NYCWEOOJIYCNIC-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196883516 782114803 /nfs/dbraw/zinc/11/48/03/782114803.db2.gz GDBNVHSSMDLIGS-VXGBXAGGSA-N 1 1 301.387 -1.308 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196811933 782114911 /nfs/dbraw/zinc/11/49/11/782114911.db2.gz GCTDVDGXYSTCNR-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001196911915 782115716 /nfs/dbraw/zinc/11/57/16/782115716.db2.gz URYLHNKWJKIYJX-GHMZBOCLSA-N 1 1 315.370 -2.317 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001196911915 782115722 /nfs/dbraw/zinc/11/57/22/782115722.db2.gz URYLHNKWJKIYJX-GHMZBOCLSA-N 1 1 315.370 -2.317 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196945415 782117392 /nfs/dbraw/zinc/11/73/92/782117392.db2.gz CBODSRCDVXDNFA-GMTAPVOTSA-N 1 1 316.358 -3.090 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196945415 782117400 /nfs/dbraw/zinc/11/74/00/782117400.db2.gz CBODSRCDVXDNFA-GMTAPVOTSA-N 1 1 316.358 -3.090 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196947306 782117518 /nfs/dbraw/zinc/11/75/18/782117518.db2.gz WQFYQWIIZAPONZ-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001196940977 782118500 /nfs/dbraw/zinc/11/85/00/782118500.db2.gz YQMQBGQJKDAQOC-JHJVBQTASA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196946562 782117609 /nfs/dbraw/zinc/11/76/09/782117609.db2.gz MBIBJAZXZNLHCZ-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196953879 782117899 /nfs/dbraw/zinc/11/78/99/782117899.db2.gz JTUJFXBAMGCGCV-CHWSQXEVSA-N 1 1 301.387 -1.748 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196940483 782118941 /nfs/dbraw/zinc/11/89/41/782118941.db2.gz VAQCANUQUKLPTN-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196946560 782118841 /nfs/dbraw/zinc/11/88/41/782118841.db2.gz MBIBJAZXZNLHCZ-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001196963442 782120105 /nfs/dbraw/zinc/12/01/05/782120105.db2.gz RPFIQVFWPKCKOJ-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001196993763 782119843 /nfs/dbraw/zinc/11/98/43/782119843.db2.gz RRJNBCLOYKGLEY-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001197000878 782119876 /nfs/dbraw/zinc/11/98/76/782119876.db2.gz NIVHPDDQCGLBEQ-VXGBXAGGSA-N 1 1 324.381 -1.256 20 0 DAADMO CN1CC(C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)=NC1=O ZINC001197021695 782122077 /nfs/dbraw/zinc/12/20/77/782122077.db2.gz CPTCBXZELPXUDV-UHFFFAOYSA-N 1 1 324.341 -1.532 20 0 DAADMO O=C(CCc1ncccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197098035 782124166 /nfs/dbraw/zinc/12/41/66/782124166.db2.gz MLWJWWHHMOVJGJ-CHWSQXEVSA-N 1 1 324.381 -1.421 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001197278103 782128717 /nfs/dbraw/zinc/12/87/17/782128717.db2.gz NKRIYGSYRNQQBQ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)nn1 ZINC001197310735 782129309 /nfs/dbraw/zinc/12/93/09/782129309.db2.gz IOSGCGKYPPWOLM-HOSYDEDBSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)nn1 ZINC001197310735 782129317 /nfs/dbraw/zinc/12/93/17/782129317.db2.gz IOSGCGKYPPWOLM-HOSYDEDBSA-N 1 1 313.358 -1.920 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001197381959 782130509 /nfs/dbraw/zinc/13/05/09/782130509.db2.gz PRTFJSRXZNRTRB-GMTAPVOTSA-N 1 1 313.358 -2.126 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197379415 782132481 /nfs/dbraw/zinc/13/24/81/782132481.db2.gz KLFBLBXTJHVNGZ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001197368304 782132750 /nfs/dbraw/zinc/13/27/50/782132750.db2.gz YVZKKDPSRAYKSO-GHMZBOCLSA-N 1 1 313.358 -1.861 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001197388218 782132831 /nfs/dbraw/zinc/13/28/31/782132831.db2.gz BQRVWTXOZLLOJE-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001197388218 782132833 /nfs/dbraw/zinc/13/28/33/782132833.db2.gz BQRVWTXOZLLOJE-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197527671 782133408 /nfs/dbraw/zinc/13/34/08/782133408.db2.gz BPMXGPWRFXDJDU-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528095 782133576 /nfs/dbraw/zinc/13/35/76/782133576.db2.gz HQMTUZXURHSLBX-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493338 782133615 /nfs/dbraw/zinc/13/36/15/782133615.db2.gz JGGDBNXPWYITIC-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197493339 782133974 /nfs/dbraw/zinc/13/39/74/782133974.db2.gz JGGDBNXPWYITIC-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(CCc1cnccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197502128 782134048 /nfs/dbraw/zinc/13/40/48/782134048.db2.gz FDTANTPTZLCMAE-ZIAGYGMSSA-N 1 1 324.381 -1.421 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001197528036 782134096 /nfs/dbraw/zinc/13/40/96/782134096.db2.gz FLSJHSZCZJOAPP-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001197493403 782134718 /nfs/dbraw/zinc/13/47/18/782134718.db2.gz LOSYFYUTUNJVKF-CHWSQXEVSA-N 1 1 310.402 -1.219 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 ZINC001197503485 782134974 /nfs/dbraw/zinc/13/49/74/782134974.db2.gz YBOXIQDBMNMVPU-MGPQQGTHSA-N 1 1 324.381 -1.422 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197627439 782136572 /nfs/dbraw/zinc/13/65/72/782136572.db2.gz IULOZUYKGVZXJQ-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197627439 782136582 /nfs/dbraw/zinc/13/65/82/782136582.db2.gz IULOZUYKGVZXJQ-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3cccnc3)c2)[C@H]2NCN[C@@H]21 ZINC001197585754 782137188 /nfs/dbraw/zinc/13/71/88/782137188.db2.gz MBAKSJVVERQCAT-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(CC(F)(F)F)c2)[C@H]2NCN[C@H]21 ZINC001197568612 782137076 /nfs/dbraw/zinc/13/70/76/782137076.db2.gz GCMPQBWCLRSZTN-DJLDLDEBSA-N 1 1 319.291 -1.422 20 0 DAADMO COCCn1cc(C(=O)NCC[NH+]2CC3(COC3)C2)cnc1=O ZINC001197712187 782137949 /nfs/dbraw/zinc/13/79/49/782137949.db2.gz GAKBTFHRMRYJCJ-UHFFFAOYSA-N 1 1 322.365 -1.048 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC001197673165 782139401 /nfs/dbraw/zinc/13/94/01/782139401.db2.gz IINKLBIPKIABHW-NXEZZACHSA-N 1 1 314.342 -1.698 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001197673165 782139405 /nfs/dbraw/zinc/13/94/05/782139405.db2.gz IINKLBIPKIABHW-NXEZZACHSA-N 1 1 314.342 -1.698 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-c3nnco3)cc2)[C@H]2NCN[C@H]21 ZINC001197700492 782139442 /nfs/dbraw/zinc/13/94/42/782139442.db2.gz NODNLMFCMVZCRK-QJPTWQEYSA-N 1 1 315.337 -1.131 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCC1=O ZINC001197768183 782140191 /nfs/dbraw/zinc/14/01/91/782140191.db2.gz AEDUBMMDWZBMSO-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC1 ZINC001197752218 782140238 /nfs/dbraw/zinc/14/02/38/782140238.db2.gz JOLYJLLTTZPKEZ-UMVBOHGHSA-N 1 1 313.398 -1.165 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cnc1=O ZINC001197715271 782140527 /nfs/dbraw/zinc/14/05/27/782140527.db2.gz TXXKJRBOJKJKRK-DCAQKATOSA-N 1 1 323.357 -2.978 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197812064 782141083 /nfs/dbraw/zinc/14/10/83/782141083.db2.gz FWVZJYOBGBYDPJ-OPRDCNLKSA-N 1 1 302.375 -1.777 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197812064 782141088 /nfs/dbraw/zinc/14/10/88/782141088.db2.gz FWVZJYOBGBYDPJ-OPRDCNLKSA-N 1 1 302.375 -1.777 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001197833447 782141895 /nfs/dbraw/zinc/14/18/95/782141895.db2.gz HODMYIRUSWRZLA-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c1 ZINC001197833447 782141899 /nfs/dbraw/zinc/14/18/99/782141899.db2.gz HODMYIRUSWRZLA-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001198003809 782143539 /nfs/dbraw/zinc/14/35/39/782143539.db2.gz HPODXPFWOAHZKL-QJPTWQEYSA-N 1 1 300.403 -1.247 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001198004148 782143934 /nfs/dbraw/zinc/14/39/34/782143934.db2.gz WPFSGZLLVFLANV-BFHYXJOUSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001198004148 782143940 /nfs/dbraw/zinc/14/39/40/782143940.db2.gz WPFSGZLLVFLANV-BFHYXJOUSA-N 1 1 317.430 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001197926087 782144361 /nfs/dbraw/zinc/14/43/61/782144361.db2.gz CTVSFNOCTYIOPV-UKKRHICBSA-N 1 1 301.343 -2.566 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001197926084 782144501 /nfs/dbraw/zinc/14/45/01/782144501.db2.gz CTVSFNOCTYIOPV-LMLFDSFASA-N 1 1 301.343 -2.566 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001198003840 782144628 /nfs/dbraw/zinc/14/46/28/782144628.db2.gz JJSJLDXFECWIFM-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001198040664 782146097 /nfs/dbraw/zinc/14/60/97/782146097.db2.gz MPVWVOBEDIPHCJ-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001198048489 782146159 /nfs/dbraw/zinc/14/61/59/782146159.db2.gz WMXSPTLIOHMYMU-CHWSQXEVSA-N 1 1 310.402 -1.219 20 0 DAADMO Cn1nc(C(=O)N2CCC[N@@H+](CCOCCO)CC2)ccc1=O ZINC001198040964 782146290 /nfs/dbraw/zinc/14/62/90/782146290.db2.gz ZMVUBNUQMYAMGW-UHFFFAOYSA-N 1 1 324.381 -1.063 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)CC)C[C@H]1O ZINC001198019935 782147939 /nfs/dbraw/zinc/14/79/39/782147939.db2.gz DACZTWFSSROROR-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)CCNC(N)=O)CC2)C1=O ZINC001198071364 782149482 /nfs/dbraw/zinc/14/94/82/782149482.db2.gz PFCQBNRDDOREKR-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)CCNC(N)=O)CC2)C1=O ZINC001198071364 782149487 /nfs/dbraw/zinc/14/94/87/782149487.db2.gz PFCQBNRDDOREKR-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COCCn1nc(C)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001198101785 782149513 /nfs/dbraw/zinc/14/95/13/782149513.db2.gz REEKZUVVDGGCCU-WOPDTQHZSA-N 1 1 309.374 -2.029 20 0 DAADMO C[NH+]1CCN(c2cnccc2C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001198159903 782149545 /nfs/dbraw/zinc/14/95/45/782149545.db2.gz VKVLPZOTNFEGMG-NSHDSACASA-N 1 1 307.354 -1.591 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001198126329 782149576 /nfs/dbraw/zinc/14/95/76/782149576.db2.gz HVTUTLMWFORRIP-MVWJERBFSA-N 1 1 323.353 -1.555 20 0 DAADMO CC(C)Oc1nccnc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001198066270 782149637 /nfs/dbraw/zinc/14/96/37/782149637.db2.gz OJSHJEVPZUHSFK-MIMYLULJSA-N 1 1 307.358 -1.604 20 0 DAADMO CC(C)Oc1nccnc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001198066269 782149813 /nfs/dbraw/zinc/14/98/13/782149813.db2.gz OJSHJEVPZUHSFK-LSJOCFKGSA-N 1 1 307.358 -1.604 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001198070655 782149905 /nfs/dbraw/zinc/14/99/05/782149905.db2.gz DVWMOGCLJGTCTR-UHFFFAOYSA-N 1 1 302.375 -1.412 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001198178891 782150161 /nfs/dbraw/zinc/15/01/61/782150161.db2.gz CYOZXQLNRNLKBD-CKYFFXLPSA-N 1 1 305.400 -1.361 20 0 DAADMO COCCn1nc(C)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001198101774 782148722 /nfs/dbraw/zinc/14/87/22/782148722.db2.gz REEKZUVVDGGCCU-GRYCIOLGSA-N 1 1 309.374 -2.029 20 0 DAADMO CC(C)Oc1nccnc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001198066268 782148944 /nfs/dbraw/zinc/14/89/44/782148944.db2.gz OJSHJEVPZUHSFK-INTQDDNPSA-N 1 1 307.358 -1.604 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268349 782151945 /nfs/dbraw/zinc/15/19/45/782151945.db2.gz FHFGITRXRPEQRX-OPRDCNLKSA-N 1 1 309.388 -2.580 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268349 782151949 /nfs/dbraw/zinc/15/19/49/782151949.db2.gz FHFGITRXRPEQRX-OPRDCNLKSA-N 1 1 309.388 -2.580 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001198255048 782153998 /nfs/dbraw/zinc/15/39/98/782153998.db2.gz KNPKRTAAJWOXPQ-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255091 782154394 /nfs/dbraw/zinc/15/43/94/782154394.db2.gz KYHIWCVBPLEBJV-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255091 782154396 /nfs/dbraw/zinc/15/43/96/782154396.db2.gz KYHIWCVBPLEBJV-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236813 782154427 /nfs/dbraw/zinc/15/44/27/782154427.db2.gz ZGXONFJSOIWILL-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255256 782153334 /nfs/dbraw/zinc/15/33/34/782153334.db2.gz LWDKTAGQSIULKL-GHMZBOCLSA-N 1 1 307.416 -1.305 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001198489847 782155872 /nfs/dbraw/zinc/15/58/72/782155872.db2.gz OJWJISGWCGBKLZ-VXGBXAGGSA-N 1 1 314.386 -1.225 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336821043 521676052 /nfs/dbraw/zinc/67/60/52/521676052.db2.gz GHBVJDWCGBEHFE-GFCCVEGCSA-N 1 1 309.432 -1.449 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336821043 521676056 /nfs/dbraw/zinc/67/60/56/521676056.db2.gz GHBVJDWCGBEHFE-GFCCVEGCSA-N 1 1 309.432 -1.449 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490048 782156321 /nfs/dbraw/zinc/15/63/21/782156321.db2.gz QOCONFBJPZFWFF-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001198489856 782156394 /nfs/dbraw/zinc/15/63/94/782156394.db2.gz ORAONYOKABRNOM-GMTAPVOTSA-N 1 1 300.359 -1.757 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001198489200 782156726 /nfs/dbraw/zinc/15/67/26/782156726.db2.gz AEFDINDCSUCOQZ-IJLUTSLNSA-N 1 1 314.386 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccccn3c2=O)[C@@H]2NCN[C@H]21 ZINC001198550212 782158254 /nfs/dbraw/zinc/15/82/54/782158254.db2.gz VWLNBCNGEGCMGF-TUAOUCFPSA-N 1 1 315.337 -2.173 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198671239 782159511 /nfs/dbraw/zinc/15/95/11/782159511.db2.gz DBQMGWXVHOWKCW-JHJVBQTASA-N 1 1 312.370 -1.640 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001198654288 782159602 /nfs/dbraw/zinc/15/96/02/782159602.db2.gz RPXCWVJIIWBVNQ-JHJVBQTASA-N 1 1 301.387 -1.892 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654258 782160364 /nfs/dbraw/zinc/16/03/64/782160364.db2.gz QTPFLSCZCIQZEJ-BFHYXJOUSA-N 1 1 324.425 -1.374 20 0 DAADMO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653018 782160502 /nfs/dbraw/zinc/16/05/02/782160502.db2.gz FAUHHCZARXUGDJ-BFHYXJOUSA-N 1 1 315.414 -1.238 20 0 DAADMO O=C(C[C@@H]1CCCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198706441 782161600 /nfs/dbraw/zinc/16/16/00/782161600.db2.gz HVFKXBVQPGAABJ-BFHYXJOUSA-N 1 1 316.398 -1.027 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198736512 782161971 /nfs/dbraw/zinc/16/19/71/782161971.db2.gz VUORJIBTISDXCS-QJPTWQEYSA-N 1 1 301.387 -1.308 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001198708097 782162012 /nfs/dbraw/zinc/16/20/12/782162012.db2.gz SSNWDRQOEUXDTR-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1O ZINC001198721701 782162253 /nfs/dbraw/zinc/16/22/53/782162253.db2.gz AOOYSZAKXIIQNE-IVZWLZJFSA-N 1 1 311.379 -1.555 20 0 DAADMO CCNC(=O)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000179773120 521739928 /nfs/dbraw/zinc/73/99/28/521739928.db2.gz KPQLVBPXFDYRAY-UHFFFAOYSA-N 1 1 309.370 -1.069 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CN2C(=O)CN(C)C2=O)n1C ZINC000265145753 522341754 /nfs/dbraw/zinc/34/17/54/522341754.db2.gz XFZQOMXXEYPPCI-UHFFFAOYSA-N 1 1 308.342 -1.004 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000246238409 522536219 /nfs/dbraw/zinc/53/62/19/522536219.db2.gz GDLKPPDFBWXJTN-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000246238409 522536223 /nfs/dbraw/zinc/53/62/23/522536223.db2.gz GDLKPPDFBWXJTN-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[N@@H+](CCCOC(=O)NC(N)=O)CC(=O)N1CCOCC1 ZINC000267074698 522779576 /nfs/dbraw/zinc/77/95/76/522779576.db2.gz PIPCLZBNRNCWNM-UHFFFAOYSA-N 1 1 302.331 -1.028 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)CN1CCOCC1 ZINC000336841637 522832960 /nfs/dbraw/zinc/83/29/60/522832960.db2.gz PBUUNHQVBUJVER-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)CN1CCOCC1 ZINC000336841637 522832963 /nfs/dbraw/zinc/83/29/63/522832963.db2.gz PBUUNHQVBUJVER-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849189 523015058 /nfs/dbraw/zinc/01/50/58/523015058.db2.gz QKGLFIPFHNRYGL-WCQYABFASA-N 1 1 320.459 -1.053 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849190 523090925 /nfs/dbraw/zinc/09/09/25/523090925.db2.gz QKGLFIPFHNRYGL-YPMHNXCESA-N 1 1 320.459 -1.053 20 0 DAADMO COCC[NH+]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000264891238 523838776 /nfs/dbraw/zinc/83/87/76/523838776.db2.gz JYKLPSSRWARROE-UHFFFAOYSA-N 1 1 312.326 -1.802 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000264867596 523871433 /nfs/dbraw/zinc/87/14/33/523871433.db2.gz GGWHXYUZUGESAB-VIFPVBQESA-N 1 1 312.326 -1.756 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCOCC2)CC1(C)C ZINC000339307220 523901694 /nfs/dbraw/zinc/90/16/94/523901694.db2.gz FXMMKJQEVNTQCA-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339492461 524065941 /nfs/dbraw/zinc/06/59/41/524065941.db2.gz LVUANVSPAPBNLR-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC[N@@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152500426 782163266 /nfs/dbraw/zinc/16/32/66/782163266.db2.gz VQYBHDZLOZQDJP-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908430 524304648 /nfs/dbraw/zinc/30/46/48/524304648.db2.gz OPHLQGQKKHRJDG-UTLUCORTSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908430 524304654 /nfs/dbraw/zinc/30/46/54/524304654.db2.gz OPHLQGQKKHRJDG-UTLUCORTSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](CO)C1 ZINC000245434669 524304999 /nfs/dbraw/zinc/30/49/99/524304999.db2.gz PWJWLTRELZMIMR-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](CO)C1 ZINC000245434669 524305009 /nfs/dbraw/zinc/30/50/09/524305009.db2.gz PWJWLTRELZMIMR-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001198761120 782163311 /nfs/dbraw/zinc/16/33/11/782163311.db2.gz CFJAHIMFGRWPKE-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC001198761120 782163316 /nfs/dbraw/zinc/16/33/16/782163316.db2.gz CFJAHIMFGRWPKE-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1CO ZINC000339490924 524449922 /nfs/dbraw/zinc/44/99/22/524449922.db2.gz RYCPESWMAJPDLF-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000190376722 524503597 /nfs/dbraw/zinc/50/35/97/524503597.db2.gz FLCJWLLINFYXFI-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000190376722 524503600 /nfs/dbraw/zinc/50/36/00/524503600.db2.gz FLCJWLLINFYXFI-RKDXNWHRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](CNC(=O)NCCS(N)(=O)=O)C[NH+]1CCOCC1 ZINC000337061039 524679655 /nfs/dbraw/zinc/67/96/55/524679655.db2.gz XLEXRYQCZVHWEF-JTQLQIEISA-N 1 1 308.404 -1.458 20 0 DAADMO C[C@@H](Cn1cccn1)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000264943842 524950873 /nfs/dbraw/zinc/95/08/73/524950873.db2.gz AUFQUBHLPSBBPX-VIFPVBQESA-N 1 1 320.353 -1.276 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001198761569 782163789 /nfs/dbraw/zinc/16/37/89/782163789.db2.gz KRWZXECKXSFERF-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001198761569 782163783 /nfs/dbraw/zinc/16/37/83/782163783.db2.gz KRWZXECKXSFERF-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000246807381 525755680 /nfs/dbraw/zinc/75/56/80/525755680.db2.gz RTNSRNXHEBABTH-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000360903728 525758399 /nfs/dbraw/zinc/75/83/99/525758399.db2.gz NZRBPPDBZAJTTQ-NSHDSACASA-N 1 1 322.431 -1.414 20 0 DAADMO C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000245448009 525764736 /nfs/dbraw/zinc/76/47/36/525764736.db2.gz MNAMLIFTKKABGZ-RKDXNWHRSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@@H](O)CC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000245448009 525764745 /nfs/dbraw/zinc/76/47/45/525764745.db2.gz MNAMLIFTKKABGZ-RKDXNWHRSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000249051472 525766989 /nfs/dbraw/zinc/76/69/89/525766989.db2.gz OETBAUVCZVIACO-NEPJUHHUSA-N 1 1 310.398 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000247383457 525769005 /nfs/dbraw/zinc/76/90/05/525769005.db2.gz WEBXZLWTZUVLQY-RYUDHWBXSA-N 1 1 310.398 -1.029 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000191232522 525798056 /nfs/dbraw/zinc/79/80/56/525798056.db2.gz OETBAUVCZVIACO-NWDGAFQWSA-N 1 1 310.398 -1.029 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001198761096 782164077 /nfs/dbraw/zinc/16/40/77/782164077.db2.gz AQQGPUCLDSGPRJ-GMTAPVOTSA-N 1 1 321.399 -2.267 20 0 DAADMO Cc1nc2ncccn2c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001198755906 782164127 /nfs/dbraw/zinc/16/41/27/782164127.db2.gz HLNDVFSLELIRLM-DVVUODLYSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(C3CCC3)c(=O)c2)[C@@H]2NCN[C@H]21 ZINC001198763317 782164098 /nfs/dbraw/zinc/16/40/98/782164098.db2.gz BNKKZPBSIOWUGQ-MJBXVCDLSA-N 1 1 318.381 -1.294 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198881376 782164951 /nfs/dbraw/zinc/16/49/51/782164951.db2.gz WBPKYUBWHDRLIT-HBNTYKKESA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198881376 782164958 /nfs/dbraw/zinc/16/49/58/782164958.db2.gz WBPKYUBWHDRLIT-HBNTYKKESA-N 1 1 311.338 -1.449 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001198905039 782165299 /nfs/dbraw/zinc/16/52/99/782165299.db2.gz UTMOUYCSCGFMEX-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001198905039 782165303 /nfs/dbraw/zinc/16/53/03/782165303.db2.gz UTMOUYCSCGFMEX-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001198871227 782165909 /nfs/dbraw/zinc/16/59/09/782165909.db2.gz UYSMJVWDFAZWNI-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1=O ZINC001198839529 782166175 /nfs/dbraw/zinc/16/61/75/782166175.db2.gz HJHCSDJKZVLVNP-AVGNSLFASA-N 1 1 322.369 -2.373 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001198974828 782167089 /nfs/dbraw/zinc/16/70/89/782167089.db2.gz HFFMTEGIWKULQO-HBNTYKKESA-N 1 1 323.415 -2.190 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(C3CCC3)c2)[C@H]2NCN[C@@H]21 ZINC001198981464 782167241 /nfs/dbraw/zinc/16/72/41/782167241.db2.gz SYWRBZGHCJJYTR-IJLUTSLNSA-N 1 1 319.369 -1.899 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001198976555 782167559 /nfs/dbraw/zinc/16/75/59/782167559.db2.gz UWXPFXCWLRVNSL-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001199043418 782167774 /nfs/dbraw/zinc/16/77/74/782167774.db2.gz UQROHTJCKDRCQP-NXEZZACHSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001199043418 782167778 /nfs/dbraw/zinc/16/77/78/782167778.db2.gz UQROHTJCKDRCQP-NXEZZACHSA-N 1 1 302.375 -1.498 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001199012076 782167852 /nfs/dbraw/zinc/16/78/52/782167852.db2.gz ZCOUCMMLYVHHMY-VXGBXAGGSA-N 1 1 322.369 -2.034 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001199043585 782168088 /nfs/dbraw/zinc/16/80/88/782168088.db2.gz XVMFLRCCQGXWCL-GMTAPVOTSA-N 1 1 316.402 -1.110 20 0 DAADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353503037 536155943 /nfs/dbraw/zinc/15/59/43/536155943.db2.gz SVGGYKSXOWXKQZ-QWRGUYRKSA-N 1 1 313.402 -1.752 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284594681 536325373 /nfs/dbraw/zinc/32/53/73/536325373.db2.gz PGTZLNLBACMAAO-GWCFXTLKSA-N 1 1 310.358 -1.051 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1=O ZINC000285987886 536468869 /nfs/dbraw/zinc/46/88/69/536468869.db2.gz YFJPJLMWPZCVHX-NEPJUHHUSA-N 1 1 322.365 -1.522 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000285987888 536480101 /nfs/dbraw/zinc/48/01/01/536480101.db2.gz YFJPJLMWPZCVHX-NWDGAFQWSA-N 1 1 322.365 -1.522 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(C(=O)CO)CC2)C[C@H](C)O1 ZINC000348320093 545643416 /nfs/dbraw/zinc/64/34/16/545643416.db2.gz QKUDYBSWFXHBQN-MJBXVCDLSA-N 1 1 315.414 -1.407 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1=O ZINC000650307766 545650604 /nfs/dbraw/zinc/65/06/04/545650604.db2.gz NYODFYTVSBAJNT-UHFFFAOYSA-N 1 1 317.411 -1.204 20 0 DAADMO Cn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)cn1 ZINC000625625877 545652727 /nfs/dbraw/zinc/65/27/27/545652727.db2.gz RDGPCLHTMJJWDT-VXGBXAGGSA-N 1 1 308.338 -1.007 20 0 DAADMO Cn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)cn1 ZINC000625625877 545652736 /nfs/dbraw/zinc/65/27/36/545652736.db2.gz RDGPCLHTMJJWDT-VXGBXAGGSA-N 1 1 308.338 -1.007 20 0 DAADMO CCn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)cn1 ZINC000625618590 545652985 /nfs/dbraw/zinc/65/29/85/545652985.db2.gz BGDNUTSLKUAZJV-VXGBXAGGSA-N 1 1 323.353 -1.121 20 0 DAADMO CCn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)cn1 ZINC000625618590 545652990 /nfs/dbraw/zinc/65/29/90/545652990.db2.gz BGDNUTSLKUAZJV-VXGBXAGGSA-N 1 1 323.353 -1.121 20 0 DAADMO C[C@H]1COCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596698 545654939 /nfs/dbraw/zinc/65/49/39/545654939.db2.gz VUPMGWHRZXLCRH-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](O)C1CC1 ZINC000672004377 545656788 /nfs/dbraw/zinc/65/67/88/545656788.db2.gz AXAHQJKJMWAPQE-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000672004376 545656860 /nfs/dbraw/zinc/65/68/60/545656860.db2.gz AXAHQJKJMWAPQE-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)C[NH+]1CCOCC1 ZINC000668728665 545660743 /nfs/dbraw/zinc/66/07/43/545660743.db2.gz UHJIPTXOPQMDPM-QWRGUYRKSA-N 1 1 312.370 -1.924 20 0 DAADMO NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408034623 545668750 /nfs/dbraw/zinc/66/87/50/545668750.db2.gz GXXKIMBNCLHVFF-GHMZBOCLSA-N 1 1 302.400 -1.734 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408033332 545669816 /nfs/dbraw/zinc/66/98/16/545669816.db2.gz KTRPKEASQMVSKQ-MNOVXSKESA-N 1 1 307.354 -1.861 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714616 545675858 /nfs/dbraw/zinc/67/58/58/545675858.db2.gz OPHZOZGDXVPTCC-AXTSPUMRSA-N 1 1 322.365 -1.593 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714616 545675863 /nfs/dbraw/zinc/67/58/63/545675863.db2.gz OPHZOZGDXVPTCC-AXTSPUMRSA-N 1 1 322.365 -1.593 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644632517 545676467 /nfs/dbraw/zinc/67/64/67/545676467.db2.gz XWRWXXIBNAXJKR-GFCCVEGCSA-N 1 1 308.448 -1.137 20 0 DAADMO CC(C)NS(=O)(=O)NCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000644632517 545676471 /nfs/dbraw/zinc/67/64/71/545676471.db2.gz XWRWXXIBNAXJKR-GFCCVEGCSA-N 1 1 308.448 -1.137 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000162506401 545681127 /nfs/dbraw/zinc/68/11/27/545681127.db2.gz CQUQFPVYOMCUQP-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000408320065 545684404 /nfs/dbraw/zinc/68/44/04/545684404.db2.gz JPMFIUOGOWICHI-OUAUKWLOSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000408320065 545684408 /nfs/dbraw/zinc/68/44/08/545684408.db2.gz JPMFIUOGOWICHI-OUAUKWLOSA-N 1 1 307.416 -1.162 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000669185135 545684538 /nfs/dbraw/zinc/68/45/38/545684538.db2.gz BPEGSTQTUHLXJB-JHJVBQTASA-N 1 1 302.371 -1.516 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC000669186228 545684997 /nfs/dbraw/zinc/68/49/97/545684997.db2.gz WSHXTIXRHPBCDU-UHFFFAOYSA-N 1 1 310.420 -1.533 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000408320756 545685665 /nfs/dbraw/zinc/68/56/65/545685665.db2.gz OWVRLAQSXVFVEN-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000332890350 545688164 /nfs/dbraw/zinc/68/81/64/545688164.db2.gz JKKOZFNQWWIEDT-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000332890350 545688168 /nfs/dbraw/zinc/68/81/68/545688168.db2.gz JKKOZFNQWWIEDT-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000671817229 545690071 /nfs/dbraw/zinc/69/00/71/545690071.db2.gz FTBRAEXGTFHMFM-OCCSQVGLSA-N 1 1 322.409 -1.118 20 0 DAADMO CNC(=O)N[C@@H]1CC[N@@H+](CCc2cn(CC(=O)OC)nn2)C1 ZINC000342384827 545691124 /nfs/dbraw/zinc/69/11/24/545691124.db2.gz YRCPBZIHLLQUEA-SNVBAGLBSA-N 1 1 310.358 -1.003 20 0 DAADMO O[C@@H]1CN(c2cc(C3CC3)[nH+]c(N3C[C@H](O)[C@@H](O)C3)n2)C[C@@H]1O ZINC000343210322 545698057 /nfs/dbraw/zinc/69/80/57/545698057.db2.gz YOQSCZNLXKPVMA-RNJOBUHISA-N 1 1 322.365 -1.562 20 0 DAADMO COC(=O)CNC(=O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000441228638 545698162 /nfs/dbraw/zinc/69/81/62/545698162.db2.gz JFRSOTLLRDCEEH-GFCCVEGCSA-N 1 1 302.327 -1.479 20 0 DAADMO O[C@@H]1CN(c2cc(C3CC3)[nH+]c(N3C[C@@H](O)[C@@H](O)C3)n2)C[C@H]1O ZINC000343210319 545698670 /nfs/dbraw/zinc/69/86/70/545698670.db2.gz YOQSCZNLXKPVMA-LPWJVIDDSA-N 1 1 322.365 -1.562 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC[C@@](C)(O)C1)S(C)(=O)=O ZINC000331112667 545701143 /nfs/dbraw/zinc/70/11/43/545701143.db2.gz JYHFUNQIVPYZNF-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000331107822 545700550 /nfs/dbraw/zinc/70/05/50/545700550.db2.gz RQVMQXSWIVOGLR-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000331182678 545702799 /nfs/dbraw/zinc/70/27/99/545702799.db2.gz NMRIZCFNUUDRHW-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CO)C2)C1 ZINC000343927199 545709304 /nfs/dbraw/zinc/70/93/04/545709304.db2.gz VQLYJIIRROLMPU-AGIUHOORSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)CC(=O)N1CCNC(=O)C1 ZINC000344063057 545712385 /nfs/dbraw/zinc/71/23/85/545712385.db2.gz NUHXNJWTROOBKC-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO CN(CCCN(C)CC(=O)N1CCNC(=O)C1)CC[NH+](C)C ZINC000344063057 545712397 /nfs/dbraw/zinc/71/23/97/545712397.db2.gz NUHXNJWTROOBKC-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCn1cncn1 ZINC000347007490 545714810 /nfs/dbraw/zinc/71/48/10/545714810.db2.gz DLSUULKOMDYHMV-LLVKDONJSA-N 1 1 309.374 -1.083 20 0 DAADMO C[C@](O)(CNC(=O)C(=O)NCC(F)F)C[NH+]1CCOCC1 ZINC000347021940 545715919 /nfs/dbraw/zinc/71/59/19/545715919.db2.gz XMRMGKVFTQOITI-LBPRGKRZSA-N 1 1 309.313 -1.433 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279187 545716848 /nfs/dbraw/zinc/71/68/48/545716848.db2.gz WWRLBQXKWDXNRC-LBPRGKRZSA-N 1 1 310.398 -1.028 20 0 DAADMO C[C@@H](CO)N1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279187 545716853 /nfs/dbraw/zinc/71/68/53/545716853.db2.gz WWRLBQXKWDXNRC-LBPRGKRZSA-N 1 1 310.398 -1.028 20 0 DAADMO C[C@@H](CO)N1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000347279187 545716857 /nfs/dbraw/zinc/71/68/57/545716857.db2.gz WWRLBQXKWDXNRC-LBPRGKRZSA-N 1 1 310.398 -1.028 20 0 DAADMO Cn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329432113 545719348 /nfs/dbraw/zinc/71/93/48/545719348.db2.gz KUWFNRWTFFSYRY-SECBINFHSA-N 1 1 320.353 -1.107 20 0 DAADMO Cn1c(N2CC[N@H+]3CCOC[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329432113 545719353 /nfs/dbraw/zinc/71/93/53/545719353.db2.gz KUWFNRWTFFSYRY-SECBINFHSA-N 1 1 320.353 -1.107 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285611 545723850 /nfs/dbraw/zinc/72/38/50/545723850.db2.gz ZDPDPRNFKAIYCF-MNOVXSKESA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285611 545723859 /nfs/dbraw/zinc/72/38/59/545723859.db2.gz ZDPDPRNFKAIYCF-MNOVXSKESA-N 1 1 322.369 -1.129 20 0 DAADMO CN(C)c1[nH+]cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)n1C ZINC000330136236 545724717 /nfs/dbraw/zinc/72/47/17/545724717.db2.gz UABHJRMPZKKHCN-NSHDSACASA-N 1 1 306.370 -1.371 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000331395696 545724967 /nfs/dbraw/zinc/72/49/67/545724967.db2.gz NRPXGMARNWHYAL-RAIGVLPGSA-N 1 1 311.382 -1.195 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330268737 545725326 /nfs/dbraw/zinc/72/53/26/545725326.db2.gz RJJDKPQWYQMLLJ-NSHDSACASA-N 1 1 302.400 -1.039 20 0 DAADMO C[C@H]1C[C@H](O)C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331696494 545726754 /nfs/dbraw/zinc/72/67/54/545726754.db2.gz ADUDZFXWLYGFAH-UWVGGRQHSA-N 1 1 307.354 -1.111 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000331944543 545728886 /nfs/dbraw/zinc/72/88/86/545728886.db2.gz GKNJXTIKVUYVHN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCO[C@@H](CO)C1 ZINC000332039758 545729568 /nfs/dbraw/zinc/72/95/68/545729568.db2.gz KIZLAJKJDVYMSB-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652893103 545733487 /nfs/dbraw/zinc/73/34/87/545733487.db2.gz XENHTEGQKFMSSU-CJNGLKHVSA-N 1 1 321.377 -1.123 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652893103 545733500 /nfs/dbraw/zinc/73/35/00/545733500.db2.gz XENHTEGQKFMSSU-CJNGLKHVSA-N 1 1 321.377 -1.123 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652893104 545734915 /nfs/dbraw/zinc/73/49/15/545734915.db2.gz XENHTEGQKFMSSU-CZUORRHYSA-N 1 1 321.377 -1.123 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652893104 545734918 /nfs/dbraw/zinc/73/49/18/545734918.db2.gz XENHTEGQKFMSSU-CZUORRHYSA-N 1 1 321.377 -1.123 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000357909101 545737979 /nfs/dbraw/zinc/73/79/79/545737979.db2.gz GGRNYBPXKDZBCS-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1C(N)=O ZINC000358205762 545742181 /nfs/dbraw/zinc/74/21/81/545742181.db2.gz XBYDDPAYWUQSQH-LBPRGKRZSA-N 1 1 316.383 -1.531 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362647643 545743748 /nfs/dbraw/zinc/74/37/48/545743748.db2.gz DKUCIOYTPHULOY-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000362647727 545744808 /nfs/dbraw/zinc/74/48/08/545744808.db2.gz HCBNMWMRYIYFDJ-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362835790 545747364 /nfs/dbraw/zinc/74/73/64/545747364.db2.gz AWICXVNZHSRKTA-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362832438 545746054 /nfs/dbraw/zinc/74/60/54/545746054.db2.gz ZBSSBFHDNQPVSV-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000363261734 545746192 /nfs/dbraw/zinc/74/61/92/545746192.db2.gz OUJYSWRFBROESJ-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000363261734 545746197 /nfs/dbraw/zinc/74/61/97/545746197.db2.gz OUJYSWRFBROESJ-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000363003538 545746940 /nfs/dbraw/zinc/74/69/40/545746940.db2.gz MLBKHOYXVGFCCB-ZJUUUORDSA-N 1 1 324.337 -1.614 20 0 DAADMO CS(=O)(=O)NCCN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835790 545747354 /nfs/dbraw/zinc/74/73/54/545747354.db2.gz AWICXVNZHSRKTA-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362835790 545747359 /nfs/dbraw/zinc/74/73/59/545747359.db2.gz AWICXVNZHSRKTA-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)C(=O)C1=O ZINC000368007948 545749888 /nfs/dbraw/zinc/74/98/88/545749888.db2.gz HAINEYJETQYBJB-VIFPVBQESA-N 1 1 318.324 -1.257 20 0 DAADMO CC(C)(CNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCOCC1 ZINC000368717255 545751521 /nfs/dbraw/zinc/75/15/21/545751521.db2.gz WTUNAODTQNBLTK-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO CC(C)(CNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCOCC1 ZINC000368717255 545751528 /nfs/dbraw/zinc/75/15/28/545751528.db2.gz WTUNAODTQNBLTK-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000368838844 545752072 /nfs/dbraw/zinc/75/20/72/545752072.db2.gz OTFAEIDBBUNYCU-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000377476407 545756781 /nfs/dbraw/zinc/75/67/81/545756781.db2.gz YLSCJQIDIVIRRG-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000151724726 545760482 /nfs/dbraw/zinc/76/04/82/545760482.db2.gz LZJYDCDSYWDASE-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000653675035 545760660 /nfs/dbraw/zinc/76/06/60/545760660.db2.gz IGBPFNYAKAORQM-GFCCVEGCSA-N 1 1 324.447 -1.993 20 0 DAADMO CNc1nc(N[C@H]2C[C@@](C)(O)C2)[nH+]c(N[C@H]2C[C@@](C)(O)C2)n1 ZINC000419010552 545765392 /nfs/dbraw/zinc/76/53/92/545765392.db2.gz YUDBYPKAOJGZCV-AKTIGQKQSA-N 1 1 308.386 -1.170 20 0 DAADMO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419189272 545765804 /nfs/dbraw/zinc/76/58/04/545765804.db2.gz PMSBRLDNXRDUFA-HRDYMLBCSA-N 1 1 318.324 -1.178 20 0 DAADMO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419189271 545765828 /nfs/dbraw/zinc/76/58/28/545765828.db2.gz PMSBRLDNXRDUFA-HLTSFMKQSA-N 1 1 318.324 -1.178 20 0 DAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N1 ZINC000665934317 545770801 /nfs/dbraw/zinc/77/08/01/545770801.db2.gz HRGXPZMQRXEKAS-GFCCVEGCSA-N 1 1 318.381 -1.007 20 0 DAADMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424178171 545776883 /nfs/dbraw/zinc/77/68/83/545776883.db2.gz WCSDWEQKBAXNHH-GHMZBOCLSA-N 1 1 305.400 -1.097 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@H+]1CC(C)(C)O ZINC000444574209 545781118 /nfs/dbraw/zinc/78/11/18/545781118.db2.gz QWBSUCWBNROOTI-NXEZZACHSA-N 1 1 302.375 -1.681 20 0 DAADMO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000444713404 545783669 /nfs/dbraw/zinc/78/36/69/545783669.db2.gz YZDJFKQJTLTRND-ZIAGYGMSSA-N 1 1 309.366 -1.039 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000458689311 545784362 /nfs/dbraw/zinc/78/43/62/545784362.db2.gz SKONFPKZLVAVMY-LLVKDONJSA-N 1 1 324.385 -1.153 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000458689311 545784368 /nfs/dbraw/zinc/78/43/68/545784368.db2.gz SKONFPKZLVAVMY-LLVKDONJSA-N 1 1 324.385 -1.153 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000459837876 545787985 /nfs/dbraw/zinc/78/79/85/545787985.db2.gz YDEQYLZNYHSMIJ-UHFFFAOYSA-N 1 1 312.370 -2.140 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000645984537 545789905 /nfs/dbraw/zinc/78/99/05/545789905.db2.gz LYBUNYRJCLKNER-LBPRGKRZSA-N 1 1 310.416 -1.022 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3CCNCC3=O)C2)CC1 ZINC000645978262 545789580 /nfs/dbraw/zinc/78/95/80/545789580.db2.gz ZYJAJKHQUGRSDG-ZDUSSCGKSA-N 1 1 323.441 -1.297 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3CCNCC3=O)C2)CC1 ZINC000645978262 545789585 /nfs/dbraw/zinc/78/95/85/545789585.db2.gz ZYJAJKHQUGRSDG-ZDUSSCGKSA-N 1 1 323.441 -1.297 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000666913002 545790160 /nfs/dbraw/zinc/79/01/60/545790160.db2.gz AZQPJUTYAYJQOP-JTQLQIEISA-N 1 1 304.416 -1.017 20 0 DAADMO CS(=O)(=O)NC1CC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000669925603 545790891 /nfs/dbraw/zinc/79/08/91/545790891.db2.gz FTMZATUPFKVNQY-MCIGGMRASA-N 1 1 316.427 -1.427 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@H]1COCCN1 ZINC000659358271 545791633 /nfs/dbraw/zinc/79/16/33/545791633.db2.gz HSQJPYTUZNCLHU-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000487450967 545793815 /nfs/dbraw/zinc/79/38/15/545793815.db2.gz XNPKWYSHFVRJLO-RYUDHWBXSA-N 1 1 301.387 -1.356 20 0 DAADMO CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199051797 782169103 /nfs/dbraw/zinc/16/91/03/782169103.db2.gz WWKUSRXQQLCUPL-GHMZBOCLSA-N 1 1 316.402 -1.372 20 0 DAADMO CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199051797 782169105 /nfs/dbraw/zinc/16/91/05/782169105.db2.gz WWKUSRXQQLCUPL-GHMZBOCLSA-N 1 1 316.402 -1.372 20 0 DAADMO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649321290 545802074 /nfs/dbraw/zinc/80/20/74/545802074.db2.gz SHJDLZWTVKLPKX-MGPQQGTHSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](CNC(=O)c1nc2n(n1)CCCN2)CN1CC[NH+](C)CC1 ZINC000649351295 545804766 /nfs/dbraw/zinc/80/47/66/545804766.db2.gz ICFVXEWZJVKLSM-GFCCVEGCSA-N 1 1 321.429 -1.036 20 0 DAADMO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656020907 545811335 /nfs/dbraw/zinc/81/13/35/545811335.db2.gz WIEAAPJGLBMRQK-QWHCGFSZSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656020611 545811476 /nfs/dbraw/zinc/81/14/76/545811476.db2.gz SRHJAZGPELGLEG-FRRDWIJNSA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071328 545813412 /nfs/dbraw/zinc/81/34/12/545813412.db2.gz AMGGHYLFUXOSEU-GRYCIOLGSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656069781 545813622 /nfs/dbraw/zinc/81/36/22/545813622.db2.gz PERHEADETXIIDA-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656094796 545814507 /nfs/dbraw/zinc/81/45/07/545814507.db2.gz XJNZLOMOVSJVAM-WCFLWFBJSA-N 1 1 311.382 -1.364 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000656086886 545815322 /nfs/dbraw/zinc/81/53/22/545815322.db2.gz NPVUSULCDONKJI-WDEREUQCSA-N 1 1 310.354 -2.436 20 0 DAADMO O=C(C(=O)N1CCO[C@@H](C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076160 545815504 /nfs/dbraw/zinc/81/55/04/545815504.db2.gz FJVOODWUGWDJNG-BFHYXJOUSA-N 1 1 323.393 -1.099 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(=O)N1C ZINC000656076313 545815600 /nfs/dbraw/zinc/81/56/00/545815600.db2.gz BXTVHSSLFGSPPZ-SDDRHHMPSA-N 1 1 324.381 -2.047 20 0 DAADMO CN(CC1(O)CCC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656087478 545815757 /nfs/dbraw/zinc/81/57/57/545815757.db2.gz DFNQZCAYPHLGTP-NWDGAFQWSA-N 1 1 311.382 -1.363 20 0 DAADMO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656105158 545816102 /nfs/dbraw/zinc/81/61/02/545816102.db2.gz YNYMBHJXCVIYRR-IGQOVBAYSA-N 1 1 324.425 -1.008 20 0 DAADMO C[C@H]1COCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656077722 545816106 /nfs/dbraw/zinc/81/61/06/545816106.db2.gz UUXYLMFVDJVUCU-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1C[NH3+] ZINC000656104580 545817011 /nfs/dbraw/zinc/81/70/11/545817011.db2.gz RCIKFIVOHQVXRY-RQJABVFESA-N 1 1 324.425 -1.150 20 0 DAADMO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656103641 545817161 /nfs/dbraw/zinc/81/71/61/545817161.db2.gz BFRXBOYXNHMJKT-FRRDWIJNSA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@@H]2C(N)=O)C[C@@H](C)O1 ZINC000354824042 545817279 /nfs/dbraw/zinc/81/72/79/545817279.db2.gz AFQPNIUGVOZFHN-FVCCEPFGSA-N 1 1 301.387 -1.357 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+] ZINC000656104579 545817510 /nfs/dbraw/zinc/81/75/10/545817510.db2.gz RCIKFIVOHQVXRY-IGQOVBAYSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294949 545818111 /nfs/dbraw/zinc/81/81/11/545818111.db2.gz CXJXYVGTRITEAJ-RWMBFGLXSA-N 1 1 321.381 -1.335 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000355268779 545818921 /nfs/dbraw/zinc/81/89/21/545818921.db2.gz SBLOYUXKEDSRAO-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000355268779 545818930 /nfs/dbraw/zinc/81/89/30/545818930.db2.gz SBLOYUXKEDSRAO-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO O=C(NCCn1cccc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656322603 545818995 /nfs/dbraw/zinc/81/89/95/545818995.db2.gz SUHBKRQVUYZGNB-QWHCGFSZSA-N 1 1 306.366 -1.118 20 0 DAADMO C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)O1 ZINC000656338996 545819498 /nfs/dbraw/zinc/81/94/98/545819498.db2.gz ZUGQISKTCUVJLO-YVECIDJPSA-N 1 1 311.382 -1.053 20 0 DAADMO O=C(NCCN1CCCC1=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656341289 545820086 /nfs/dbraw/zinc/82/00/86/545820086.db2.gz YZGJSWCDNBGYFC-NWDGAFQWSA-N 1 1 324.381 -1.998 20 0 DAADMO O=C(NCCn1cccn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302121 545820997 /nfs/dbraw/zinc/82/09/97/545820997.db2.gz HETNPIGLGKSBQX-NWDGAFQWSA-N 1 1 307.354 -1.723 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1C[N@H+](C)CCO1 ZINC000157530300 545825590 /nfs/dbraw/zinc/82/55/90/545825590.db2.gz LKFNELVHJQWVMC-GHMZBOCLSA-N 1 1 310.354 -1.618 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000157530300 545825593 /nfs/dbraw/zinc/82/55/93/545825593.db2.gz LKFNELVHJQWVMC-GHMZBOCLSA-N 1 1 310.354 -1.618 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409332 545826898 /nfs/dbraw/zinc/82/68/98/545826898.db2.gz KKQSWVZFBRMRSQ-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408295 545827139 /nfs/dbraw/zinc/82/71/39/545827139.db2.gz LGZXKYMADOBMNQ-LBPRGKRZSA-N 1 1 316.427 -1.472 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670406358 545827201 /nfs/dbraw/zinc/82/72/01/545827201.db2.gz OSPPURMGBBOPMS-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC(=O)N1 ZINC000658625308 545834951 /nfs/dbraw/zinc/83/49/51/545834951.db2.gz HLERXORAPZDDBS-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000658779820 545835655 /nfs/dbraw/zinc/83/56/55/545835655.db2.gz WNQGRYGRQKUWAE-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](C)C1 ZINC000658805794 545835977 /nfs/dbraw/zinc/83/59/77/545835977.db2.gz ZDEDSEBDSGVYNA-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC000658805794 545835987 /nfs/dbraw/zinc/83/59/87/545835987.db2.gz ZDEDSEBDSGVYNA-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000658779817 545836845 /nfs/dbraw/zinc/83/68/45/545836845.db2.gz WNQGRYGRQKUWAE-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO [NH3+]CCCn1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)nn1 ZINC000662909067 545840838 /nfs/dbraw/zinc/84/08/38/545840838.db2.gz YCGKDLRASBJKQF-GFCCVEGCSA-N 1 1 307.402 -1.253 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000344796905 545847176 /nfs/dbraw/zinc/84/71/76/545847176.db2.gz WGJDXPHNPPKXIB-UHFFFAOYSA-N 1 1 310.402 -0.642 20 0 DAADMO CN(CCCNC(=O)C(=O)Nc1ccn(C)n1)CC[NH+](C)C ZINC000344796905 545847180 /nfs/dbraw/zinc/84/71/80/545847180.db2.gz WGJDXPHNPPKXIB-UHFFFAOYSA-N 1 1 310.402 -0.642 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC000566404299 545852177 /nfs/dbraw/zinc/85/21/77/545852177.db2.gz QRGGKNFUBURILU-SECBINFHSA-N 1 1 309.374 -1.030 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000569820119 545853693 /nfs/dbraw/zinc/85/36/93/545853693.db2.gz GWQJWIMMHVOEPP-SNVBAGLBSA-N 1 1 323.401 -0.952 20 0 DAADMO O=C(CC1(n2cnnn2)CCOCC1)N1CC[NH+](CCO)CC1 ZINC000666190343 545854273 /nfs/dbraw/zinc/85/42/73/545854273.db2.gz ISVWNVDQYFVMAB-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000667196276 545857309 /nfs/dbraw/zinc/85/73/09/545857309.db2.gz TYWBKFUEULJDSA-MGPQQGTHSA-N 1 1 314.382 -1.420 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)NC1=O ZINC000667940533 545860505 /nfs/dbraw/zinc/86/05/05/545860505.db2.gz GFADVAVGGCFDAD-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)NC1=O ZINC000667940534 545860879 /nfs/dbraw/zinc/86/08/79/545860879.db2.gz GFADVAVGGCFDAD-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310492 545862146 /nfs/dbraw/zinc/86/21/46/545862146.db2.gz WRRVCEZKFSMAGS-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310493 545862554 /nfs/dbraw/zinc/86/25/54/545862554.db2.gz WRRVCEZKFSMAGS-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)NC[C@@H]1CCCO1 ZINC000487505360 545862911 /nfs/dbraw/zinc/86/29/11/545862911.db2.gz UDLJGMOASBMYPH-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NC[C@@H]1CCCO1 ZINC000487505360 545862919 /nfs/dbraw/zinc/86/29/19/545862919.db2.gz UDLJGMOASBMYPH-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO CC1(C)CN(C(=O)NCCNS(C)(=O)=O)CC[N@H+]1CCO ZINC000672709437 545863132 /nfs/dbraw/zinc/86/31/32/545863132.db2.gz WUAAVHQTYQGWBK-UHFFFAOYSA-N 1 1 322.431 -1.366 20 0 DAADMO CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640709 545863706 /nfs/dbraw/zinc/86/37/06/545863706.db2.gz GXEKLVPDOOVUHC-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640709 545863708 /nfs/dbraw/zinc/86/37/08/545863708.db2.gz GXEKLVPDOOVUHC-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)OCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596325 545863935 /nfs/dbraw/zinc/86/39/35/545863935.db2.gz VTMKKQDQCZEJFT-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000487507615 545864117 /nfs/dbraw/zinc/86/41/17/545864117.db2.gz XOFZVKAYXGGSPQ-UHFFFAOYSA-N 1 1 323.459 -1.106 20 0 DAADMO CN1CCC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673352060 545865156 /nfs/dbraw/zinc/86/51/56/545865156.db2.gz QYOZTVGLYBMPQY-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1=O ZINC000673713511 545866847 /nfs/dbraw/zinc/86/68/47/545866847.db2.gz FSGLULYHPNCXRH-UHFFFAOYSA-N 1 1 314.411 -1.209 20 0 DAADMO COC[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674764806 545869065 /nfs/dbraw/zinc/86/90/65/545869065.db2.gz LIDQSTAKWXLTHC-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000675626463 545870645 /nfs/dbraw/zinc/87/06/45/545870645.db2.gz PJXSIKFMOLTTCA-LLVKDONJSA-N 1 1 317.411 -1.347 20 0 DAADMO C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676244917 545872131 /nfs/dbraw/zinc/87/21/31/545872131.db2.gz DAANLBLAXQFPQM-ZJUUUORDSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244917 545872134 /nfs/dbraw/zinc/87/21/34/545872134.db2.gz DAANLBLAXQFPQM-ZJUUUORDSA-N 1 1 313.358 -1.444 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676244296 545872350 /nfs/dbraw/zinc/87/23/50/545872350.db2.gz TVWQVVBTQGUCKW-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244296 545872355 /nfs/dbraw/zinc/87/23/55/545872355.db2.gz TVWQVVBTQGUCKW-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000676489098 545872558 /nfs/dbraw/zinc/87/25/58/545872558.db2.gz JUHGYRCEKHPTGA-UPJWGTAASA-N 1 1 321.333 -1.098 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340449 545872749 /nfs/dbraw/zinc/87/27/49/545872749.db2.gz FUOPGGWXTPOLPE-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000677114450 545873299 /nfs/dbraw/zinc/87/32/99/545873299.db2.gz KTSXJWPTOCGADJ-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000677739701 545875127 /nfs/dbraw/zinc/87/51/27/545875127.db2.gz DJFSGBUCASCSSH-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677847484 545876029 /nfs/dbraw/zinc/87/60/29/545876029.db2.gz CAMMHSXNZXEOOR-CQSZACIVSA-N 1 1 323.441 -1.391 20 0 DAADMO Cc1nnc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000678891890 545878823 /nfs/dbraw/zinc/87/88/23/545878823.db2.gz QSGQOOKKIXHNNE-CQSZACIVSA-N 1 1 324.429 -1.076 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N=c2nc[nH]n2C)CC1 ZINC000678661931 545879180 /nfs/dbraw/zinc/87/91/80/545879180.db2.gz RCEHWFQILNHHGT-UHFFFAOYSA-N 1 1 309.374 -1.089 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679316794 545879861 /nfs/dbraw/zinc/87/98/61/545879861.db2.gz ACXYHRWNMNUFBY-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1cc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000679968391 545881534 /nfs/dbraw/zinc/88/15/34/545881534.db2.gz LGTGWURRHLOESV-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@H]1C ZINC000679798867 545882491 /nfs/dbraw/zinc/88/24/91/545882491.db2.gz SANVNBNVTCGXEL-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@H]1C ZINC000679798867 545882495 /nfs/dbraw/zinc/88/24/95/545882495.db2.gz SANVNBNVTCGXEL-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000680828796 545882943 /nfs/dbraw/zinc/88/29/43/545882943.db2.gz YYYIMXJLVHSAMO-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[NH+]1CCN([C@@H](C(=O)NC[C@@H](O)C(N)=O)c2ccccc2)CC1 ZINC000683916209 545890186 /nfs/dbraw/zinc/89/01/86/545890186.db2.gz TUUFTBVZZBUOHT-ZIAGYGMSSA-N 1 1 320.393 -1.063 20 0 DAADMO C[NH+]1CCN([C@@H](C(=O)NC[C@H](O)C(N)=O)c2ccccc2)CC1 ZINC000683916208 545890261 /nfs/dbraw/zinc/89/02/61/545890261.db2.gz TUUFTBVZZBUOHT-UONOGXRCSA-N 1 1 320.393 -1.063 20 0 DAADMO Cn1nncc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000684568442 545891525 /nfs/dbraw/zinc/89/15/25/545891525.db2.gz OMLQXAFBCLSGTD-UHFFFAOYSA-N 1 1 316.387 -1.743 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685340982 545893259 /nfs/dbraw/zinc/89/32/59/545893259.db2.gz WZVPXGIRCOLNNH-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685340982 545893262 /nfs/dbraw/zinc/89/32/62/545893262.db2.gz WZVPXGIRCOLNNH-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000685338477 545893733 /nfs/dbraw/zinc/89/37/33/545893733.db2.gz RMRAVOGLBXJRMW-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338477 545893739 /nfs/dbraw/zinc/89/37/39/545893739.db2.gz RMRAVOGLBXJRMW-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337077 545893792 /nfs/dbraw/zinc/89/37/92/545893792.db2.gz ZJNFARLPIVLOFX-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337077 545893796 /nfs/dbraw/zinc/89/37/96/545893796.db2.gz ZJNFARLPIVLOFX-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685336200 545893977 /nfs/dbraw/zinc/89/39/77/545893977.db2.gz LZQQBBPGEMPSAQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336200 545893980 /nfs/dbraw/zinc/89/39/80/545893980.db2.gz LZQQBBPGEMPSAQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 ZINC001199119744 782170069 /nfs/dbraw/zinc/17/00/69/782170069.db2.gz SLIRXTRFGYAAAU-UMVBOHGHSA-N 1 1 320.393 -1.064 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001199104615 782170276 /nfs/dbraw/zinc/17/02/76/782170276.db2.gz PHTRDZVQVAQYJV-VXGBXAGGSA-N 1 1 300.403 -1.424 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OCC3CC3)cn2)[C@H]2NCN[C@H]21 ZINC001199144471 782171546 /nfs/dbraw/zinc/17/15/46/782171546.db2.gz UUGYMYUNPDEHMO-YNEHKIRRSA-N 1 1 319.369 -1.602 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111744 782171801 /nfs/dbraw/zinc/17/18/01/782171801.db2.gz KFQGBURKHYZEQA-IJLUTSLNSA-N 1 1 300.403 -1.378 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111833 782171855 /nfs/dbraw/zinc/17/18/55/782171855.db2.gz OLLIUTMIQSANNM-JHJVBQTASA-N 1 1 314.430 -1.035 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001199211263 782173171 /nfs/dbraw/zinc/17/31/71/782173171.db2.gz VYOMWYWPAPRNHX-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001199211263 782173176 /nfs/dbraw/zinc/17/31/76/782173176.db2.gz VYOMWYWPAPRNHX-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(OC(F)F)c2)[C@H]2NCN[C@H]21 ZINC001199300442 782174280 /nfs/dbraw/zinc/17/42/80/782174280.db2.gz QSOWRZHWRXMCLD-IVZWLZJFSA-N 1 1 314.296 -1.184 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cnc1=O ZINC001199249581 782174310 /nfs/dbraw/zinc/17/43/10/782174310.db2.gz DSAQOIVPUJLHCJ-OUAUKWLOSA-N 1 1 307.358 -2.043 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(OC(F)F)n2)[C@@H]2NCN[C@@H]21 ZINC001199306771 782174326 /nfs/dbraw/zinc/17/43/26/782174326.db2.gz DXCYGBRUPQEAJZ-BBBLOLIVSA-N 1 1 314.296 -1.184 20 0 DAADMO COCCOc1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001199258635 782174618 /nfs/dbraw/zinc/17/46/18/782174618.db2.gz YBAQWFUOXJOQGZ-DCAQKATOSA-N 1 1 323.357 -2.366 20 0 DAADMO COCCOc1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001199258640 782175003 /nfs/dbraw/zinc/17/50/03/782175003.db2.gz YBAQWFUOXJOQGZ-VWYCJHECSA-N 1 1 323.357 -2.366 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnccc2OC(F)F)[C@@H]2NCN[C@@H]21 ZINC001199383111 782175786 /nfs/dbraw/zinc/17/57/86/782175786.db2.gz RFCCVDWTIQPJSG-BBBLOLIVSA-N 1 1 314.296 -1.184 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199346566 782176432 /nfs/dbraw/zinc/17/64/32/782176432.db2.gz VAZDMDNKLBCPLI-IJLUTSLNSA-N 1 1 316.402 -1.243 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199344647 782176788 /nfs/dbraw/zinc/17/67/88/782176788.db2.gz GLWBVWZJLKMGBY-GMTAPVOTSA-N 1 1 302.375 -1.633 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199344647 782176793 /nfs/dbraw/zinc/17/67/93/782176793.db2.gz GLWBVWZJLKMGBY-GMTAPVOTSA-N 1 1 302.375 -1.633 20 0 DAADMO N[C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@H]2NCN[C@H]21 ZINC001199371297 782176812 /nfs/dbraw/zinc/17/68/12/782176812.db2.gz QHYGALODLJTOBP-BFHYXJOUSA-N 1 1 317.397 -1.186 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC(F)F)ccn2)[C@H]2NCN[C@@H]21 ZINC001199314350 782176832 /nfs/dbraw/zinc/17/68/32/782176832.db2.gz BPLBVYCMGGGQLA-OPRDCNLKSA-N 1 1 314.296 -1.184 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)N1CCCC1=O ZINC001199422956 782177584 /nfs/dbraw/zinc/17/75/84/782177584.db2.gz XPRLESDHBPBHMG-BZPMIXESSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)N1CCCC1=O ZINC001199422956 782177586 /nfs/dbraw/zinc/17/75/86/782177586.db2.gz XPRLESDHBPBHMG-BZPMIXESSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001199407046 782177964 /nfs/dbraw/zinc/17/79/64/782177964.db2.gz QCTXLIKBEOJJAL-UHFFFAOYSA-N 1 1 309.374 -1.231 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199449615 782178072 /nfs/dbraw/zinc/17/80/72/782178072.db2.gz AHQQZYUGCWYHAN-GMTAPVOTSA-N 1 1 303.359 -2.189 20 0 DAADMO CC(C)CNc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncn1 ZINC001199447729 782179461 /nfs/dbraw/zinc/17/94/61/782179461.db2.gz MAJVJQFJAJTCEW-AGIUHOORSA-N 1 1 320.401 -1.323 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199449785 782180296 /nfs/dbraw/zinc/18/02/96/782180296.db2.gz DQRNOQUQAYORIE-CHWSQXEVSA-N 1 1 323.397 -1.221 20 0 DAADMO CC(C)CNc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncn1 ZINC001199447730 782180397 /nfs/dbraw/zinc/18/03/97/782180397.db2.gz MAJVJQFJAJTCEW-AVGNSLFASA-N 1 1 320.401 -1.323 20 0 DAADMO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199497441 782181771 /nfs/dbraw/zinc/18/17/71/782181771.db2.gz CWVNVIBMETVPQL-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ncccn3)cn2)[C@H]2NCN[C@H]21 ZINC001199558118 782183838 /nfs/dbraw/zinc/18/38/38/782183838.db2.gz FRRUDGARLZJPMY-HBNTYKKESA-N 1 1 315.341 -2.205 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(OC3CCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001199655531 782184466 /nfs/dbraw/zinc/18/44/66/782184466.db2.gz LIDULYWDBVHPMA-UTUOFQBUSA-N 1 1 319.369 -1.459 20 0 DAADMO CCOCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001199752689 782184620 /nfs/dbraw/zinc/18/46/20/782184620.db2.gz IBEFFSZYIYUONI-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ncccn3)cn2)[C@H]2NCN[C@@H]21 ZINC001199558117 782183164 /nfs/dbraw/zinc/18/31/64/782183164.db2.gz FRRUDGARLZJPMY-GMTAPVOTSA-N 1 1 315.341 -2.205 20 0 DAADMO COCCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001199551593 782183264 /nfs/dbraw/zinc/18/32/64/782183264.db2.gz SWVSIYPBYURSGP-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2CC2CCC2)[C@H]2NCN[C@H]21 ZINC001199613033 782183514 /nfs/dbraw/zinc/18/35/14/782183514.db2.gz SPALKGNMFLLMRU-YNEHKIRRSA-N 1 1 305.386 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccc(OC3CCC3)n2)[C@H]2NCN[C@@H]21 ZINC001199635751 782183692 /nfs/dbraw/zinc/18/36/92/782183692.db2.gz ABRKBEHFMANKJO-NQBHXWOUSA-N 1 1 319.369 -1.459 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2CC2CCC2)[C@H]2NCN[C@@H]21 ZINC001199613030 782183764 /nfs/dbraw/zinc/18/37/64/782183764.db2.gz SPALKGNMFLLMRU-JHJVBQTASA-N 1 1 305.386 -1.184 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001199716231 782185159 /nfs/dbraw/zinc/18/51/59/782185159.db2.gz MDDASIGTMGCOPG-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001199715080 782185286 /nfs/dbraw/zinc/18/52/86/782185286.db2.gz AXGNFYNVINUNGS-CYBMUJFWSA-N 1 1 324.385 -1.342 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040743712 678251153 /nfs/dbraw/zinc/25/11/53/678251153.db2.gz OLXZSUMXHPOIEW-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000823698389 606199804 /nfs/dbraw/zinc/19/98/04/606199804.db2.gz PRBBNURLYZNINP-RTXFEEFZSA-N 1 1 321.337 -1.356 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@@H]1[NH+](C)C ZINC000820733541 607219851 /nfs/dbraw/zinc/21/98/51/607219851.db2.gz HAIBTVSSXYHPOW-IUCAKERBSA-N 1 1 305.346 -1.133 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H]1[NH+](C)C ZINC000820733539 607220123 /nfs/dbraw/zinc/22/01/23/607220123.db2.gz HAIBTVSSXYHPOW-DTWKUNHWSA-N 1 1 305.346 -1.133 20 0 DAADMO Nc1c(-c2nn[nH]n2)cnn1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000826394822 608120040 /nfs/dbraw/zinc/12/00/40/608120040.db2.gz AOBNNQZPIVJNOK-SECBINFHSA-N 1 1 303.330 -1.325 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152691196 782188517 /nfs/dbraw/zinc/18/85/17/782188517.db2.gz HLSQIZLKGBFBQP-UHFFFAOYSA-N 1 1 322.373 -1.189 20 0 DAADMO NC(=O)CNC(=O)CNC(=S)NCCC[NH+]1CCOCC1 ZINC001199961432 782188997 /nfs/dbraw/zinc/18/89/97/782188997.db2.gz VKWWAFAWGXSFGP-UHFFFAOYSA-N 1 1 317.415 -2.226 20 0 DAADMO OC[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H]1O ZINC001199941538 782189114 /nfs/dbraw/zinc/18/91/14/782189114.db2.gz PNKBQEHMXVPXJB-NEPJUHHUSA-N 1 1 303.428 -1.132 20 0 DAADMO NC(=O)[C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCO1 ZINC001199945209 782189283 /nfs/dbraw/zinc/18/92/83/782189283.db2.gz AFFLEQAZAZWQGC-LLVKDONJSA-N 1 1 316.427 -1.231 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)CCNC(N)=O)C1 ZINC000898255296 662747396 /nfs/dbraw/zinc/74/73/96/662747396.db2.gz XWSSTWPZVFDPCV-UHFFFAOYSA-N 1 1 302.375 -1.150 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N(CCO)CCOCCO)C1 ZINC000912771218 663155761 /nfs/dbraw/zinc/15/57/61/663155761.db2.gz VSDGFEXTCAWSNF-CQSZACIVSA-N 1 1 304.387 -1.337 20 0 DAADMO COC(=O)C[C@H](NC(=O)CC[NH+]1CCOCC1)C(=O)OC ZINC000732055889 663256553 /nfs/dbraw/zinc/25/65/53/663256553.db2.gz YBWYXOXYTFRTRO-JTQLQIEISA-N 1 1 302.327 -1.070 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000804899698 663797042 /nfs/dbraw/zinc/79/70/42/663797042.db2.gz SJWAMHPODYRTFM-WIUDPPPLSA-N 1 1 319.427 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCS(C)(=O)=O)C(C)C ZINC000788393135 663831687 /nfs/dbraw/zinc/83/16/87/663831687.db2.gz WCINULLCQAJVBH-UHFFFAOYSA-N 1 1 307.416 -1.006 20 0 DAADMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000804353044 663844824 /nfs/dbraw/zinc/84/48/24/663844824.db2.gz ULCIJWILHLOISW-FIKIJFGZSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[S@](C)=O ZINC000804353044 663844825 /nfs/dbraw/zinc/84/48/25/663844825.db2.gz ULCIJWILHLOISW-FIKIJFGZSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000804353092 663844835 /nfs/dbraw/zinc/84/48/35/663844835.db2.gz ULCIJWILHLOISW-WIUDPPPLSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000804353092 663844837 /nfs/dbraw/zinc/84/48/37/663844837.db2.gz ULCIJWILHLOISW-WIUDPPPLSA-N 1 1 319.427 -1.292 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000843490391 663879246 /nfs/dbraw/zinc/87/92/46/663879246.db2.gz UCIHPAZOPVKLKY-VIFPVBQESA-N 1 1 301.368 -1.117 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880560853 663956816 /nfs/dbraw/zinc/95/68/16/663956816.db2.gz HLPGTUSVTSANGT-CYBMUJFWSA-N 1 1 302.327 -1.382 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000874898226 663941881 /nfs/dbraw/zinc/94/18/81/663941881.db2.gz NBPUSSDGTHKBHJ-SNVBAGLBSA-N 1 1 316.427 -1.256 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000874898226 663941883 /nfs/dbraw/zinc/94/18/83/663941883.db2.gz NBPUSSDGTHKBHJ-SNVBAGLBSA-N 1 1 316.427 -1.256 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929281338 663987793 /nfs/dbraw/zinc/98/77/93/663987793.db2.gz KHEPEABLZPIVPM-GXTWGEPZSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929281338 663987795 /nfs/dbraw/zinc/98/77/95/663987795.db2.gz KHEPEABLZPIVPM-GXTWGEPZSA-N 1 1 304.387 -1.075 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949239554 662305249 /nfs/dbraw/zinc/30/52/49/662305249.db2.gz SGCXVOARCXBKFS-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949239554 662305251 /nfs/dbraw/zinc/30/52/51/662305251.db2.gz SGCXVOARCXBKFS-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000947364233 662305541 /nfs/dbraw/zinc/30/55/41/662305541.db2.gz FWJVHIUJMDPLNH-GFCCVEGCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000947364233 662305546 /nfs/dbraw/zinc/30/55/46/662305546.db2.gz FWJVHIUJMDPLNH-GFCCVEGCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000947364234 662305582 /nfs/dbraw/zinc/30/55/82/662305582.db2.gz FWJVHIUJMDPLNH-LBPRGKRZSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000947364234 662305584 /nfs/dbraw/zinc/30/55/84/662305584.db2.gz FWJVHIUJMDPLNH-LBPRGKRZSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccon3)C2)c1=O ZINC000969140508 662305885 /nfs/dbraw/zinc/30/58/85/662305885.db2.gz JIPOHXUNAICQDF-LLVKDONJSA-N 1 1 306.326 -1.040 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242910 662306047 /nfs/dbraw/zinc/30/60/47/662306047.db2.gz HEVKTKKWMQPLKK-MWLCHTKSSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242910 662306049 /nfs/dbraw/zinc/30/60/49/662306049.db2.gz HEVKTKKWMQPLKK-MWLCHTKSSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000969194635 662307559 /nfs/dbraw/zinc/30/75/59/662307559.db2.gz HRTBINKFCFVCFT-LLVKDONJSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000969194558 662307603 /nfs/dbraw/zinc/30/76/03/662307603.db2.gz DLKOCEWYOGWNGR-LLVKDONJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191299 662307845 /nfs/dbraw/zinc/30/78/45/662307845.db2.gz WJXJBDQMNFIMQL-SCVCMEIPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191299 662307849 /nfs/dbraw/zinc/30/78/49/662307849.db2.gz WJXJBDQMNFIMQL-SCVCMEIPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000947370490 662308199 /nfs/dbraw/zinc/30/81/99/662308199.db2.gz UKEDSBJYQNXNTN-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001020426033 662309053 /nfs/dbraw/zinc/30/90/53/662309053.db2.gz LDKQILSWHRVOTH-RVBZMBCESA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC000969270791 662309536 /nfs/dbraw/zinc/30/95/36/662309536.db2.gz BSLAIQXETFOPSE-MRVPVSSYSA-N 1 1 319.325 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001020460535 662310541 /nfs/dbraw/zinc/31/05/41/662310541.db2.gz DPNZYWOLVDPDOK-DCAQKATOSA-N 1 1 321.385 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCOCC2)C1 ZINC001039026003 662310861 /nfs/dbraw/zinc/31/08/61/662310861.db2.gz CAQPLLJKYXSRCM-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCOCC2)C1 ZINC001039025996 662310891 /nfs/dbraw/zinc/31/08/91/662310891.db2.gz CAQPLLJKYXSRCM-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020465241 662310953 /nfs/dbraw/zinc/31/09/53/662310953.db2.gz WBPWVWKFSHNLMF-MGCOHNPYSA-N 1 1 308.342 -1.762 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1CCNC1=O ZINC001020464680 662311250 /nfs/dbraw/zinc/31/12/50/662311250.db2.gz DITFWZVVWXVJQE-FXPVBKGRSA-N 1 1 319.369 -1.119 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001020466957 662311507 /nfs/dbraw/zinc/31/15/07/662311507.db2.gz WSXZAXKASMGHRR-XKNYDFJKSA-N 1 1 307.358 -1.542 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)o1 ZINC001020463893 662311681 /nfs/dbraw/zinc/31/16/81/662311681.db2.gz MMEUAIHDWBAOMF-XYPYZODXSA-N 1 1 322.369 -1.453 20 0 DAADMO CN1CCN(C(=O)CN2CCCS2(=O)=O)CC[N@@H+](C)CC1 ZINC000888995512 662313218 /nfs/dbraw/zinc/31/32/18/662313218.db2.gz RQHHRTMIRGIKFE-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)c1nnn(C)n1 ZINC001020487322 662313311 /nfs/dbraw/zinc/31/33/11/662313311.db2.gz QTDXAQWLIYSYEQ-AXFHLTTASA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1nnn(C)n1 ZINC001020487323 662313604 /nfs/dbraw/zinc/31/36/04/662313604.db2.gz QTDXAQWLIYSYEQ-DCAQKATOSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001020490080 662314059 /nfs/dbraw/zinc/31/40/59/662314059.db2.gz MQIGELJFCQOVAR-XWLWVQCSSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000969400986 662314094 /nfs/dbraw/zinc/31/40/94/662314094.db2.gz OVVIYBYMGUBVSI-SECBINFHSA-N 1 1 318.341 -1.692 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001020490078 662314191 /nfs/dbraw/zinc/31/41/91/662314191.db2.gz MQIGELJFCQOVAR-GWOFURMSSA-N 1 1 321.385 -1.014 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001020521187 662314701 /nfs/dbraw/zinc/31/47/01/662314701.db2.gz GKDGLHJTTZJQKF-IWSPIJDZSA-N 1 1 318.341 -1.095 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969410501 662314819 /nfs/dbraw/zinc/31/48/19/662314819.db2.gz ROBZYAQZHPCVDR-JOYOIKCWSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969410166 662314997 /nfs/dbraw/zinc/31/49/97/662314997.db2.gz OHYBMRVLIVUKAT-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001020521385 662315010 /nfs/dbraw/zinc/31/50/10/662315010.db2.gz PAMMNLXQSVCHSO-KYZUINATSA-N 1 1 303.326 -1.051 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001020521186 662315070 /nfs/dbraw/zinc/31/50/70/662315070.db2.gz GKDGLHJTTZJQKF-CIUDSAMLSA-N 1 1 318.341 -1.095 20 0 DAADMO CCn1cc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC000969428974 662315758 /nfs/dbraw/zinc/31/57/58/662315758.db2.gz IVAQKBDJOJTCIC-SNVBAGLBSA-N 1 1 319.373 -1.245 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001020531345 662316740 /nfs/dbraw/zinc/31/67/40/662316740.db2.gz QFCJDEKFDGKHKB-BGZDPUMWSA-N 1 1 308.346 -1.811 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C(N)=O ZINC001020532953 662317531 /nfs/dbraw/zinc/31/75/31/662317531.db2.gz XXRZQQWHQVFGFB-VPOLOUISSA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C(N)=O ZINC001020532953 662317534 /nfs/dbraw/zinc/31/75/34/662317534.db2.gz XXRZQQWHQVFGFB-VPOLOUISSA-N 1 1 312.370 -1.704 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC001020536267 662317665 /nfs/dbraw/zinc/31/76/65/662317665.db2.gz HOUAYOMMRHUCQC-LJGSYFOKSA-N 1 1 310.314 -2.420 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441196 662317758 /nfs/dbraw/zinc/31/77/58/662317758.db2.gz IXOPGRPBTSUJQH-JQWIXIFHSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441196 662317762 /nfs/dbraw/zinc/31/77/62/662317762.db2.gz IXOPGRPBTSUJQH-JQWIXIFHSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441198 662317789 /nfs/dbraw/zinc/31/77/89/662317789.db2.gz IXOPGRPBTSUJQH-PWSUYJOCSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441198 662317792 /nfs/dbraw/zinc/31/77/92/662317792.db2.gz IXOPGRPBTSUJQH-PWSUYJOCSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441195 662317907 /nfs/dbraw/zinc/31/79/07/662317907.db2.gz IXOPGRPBTSUJQH-CMPLNLGQSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441195 662317908 /nfs/dbraw/zinc/31/79/08/662317908.db2.gz IXOPGRPBTSUJQH-CMPLNLGQSA-N 1 1 323.401 -1.523 20 0 DAADMO CN1CC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001020547314 662318933 /nfs/dbraw/zinc/31/89/33/662318933.db2.gz FPRSSLWRTSSECW-IWSPIJDZSA-N 1 1 321.337 -1.219 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000969486537 662318966 /nfs/dbraw/zinc/31/89/66/662318966.db2.gz QTCLQWGHYBDNBA-AXFHLTTASA-N 1 1 322.369 -1.634 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)c1N)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969531793 662321199 /nfs/dbraw/zinc/32/11/99/662321199.db2.gz IMXPDXLHOBEXQF-LDYMZIIASA-N 1 1 306.370 -1.059 20 0 DAADMO C[C@H](NC(=O)c1cnn(C)c1N)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969531780 662321252 /nfs/dbraw/zinc/32/12/52/662321252.db2.gz IMXPDXLHOBEXQF-GZMMTYOYSA-N 1 1 306.370 -1.059 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000969536572 662321303 /nfs/dbraw/zinc/32/13/03/662321303.db2.gz JSWXKUDAEVHUPC-FVCCEPFGSA-N 1 1 313.398 -1.215 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000969546140 662322136 /nfs/dbraw/zinc/32/21/36/662322136.db2.gz RPLYJIIUPWNGTI-RKDXNWHRSA-N 1 1 306.326 -1.278 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000969566344 662322616 /nfs/dbraw/zinc/32/26/16/662322616.db2.gz KMFOPRQLXMIMJN-GFCCVEGCSA-N 1 1 307.354 -1.203 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000969573939 662322667 /nfs/dbraw/zinc/32/26/67/662322667.db2.gz SMUBMRNMBDZFEU-SNVBAGLBSA-N 1 1 324.410 -1.340 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC000969586753 662323080 /nfs/dbraw/zinc/32/30/80/662323080.db2.gz NTVCMVIUWFBBQR-MWLCHTKSSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC000969585999 662323113 /nfs/dbraw/zinc/32/31/13/662323113.db2.gz DMCVHDFERLZCSG-KOLCDFICSA-N 1 1 307.358 -1.471 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969590781 662323367 /nfs/dbraw/zinc/32/33/67/662323367.db2.gz JDERIUBHCLBOKA-KOLCDFICSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969590780 662323587 /nfs/dbraw/zinc/32/35/87/662323587.db2.gz JDERIUBHCLBOKA-GXSJLCMTSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC000969586751 662323612 /nfs/dbraw/zinc/32/36/12/662323612.db2.gz NTVCMVIUWFBBQR-KOLCDFICSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC000969644400 662323896 /nfs/dbraw/zinc/32/38/96/662323896.db2.gz IUJRUTVTUVZCFO-ZYHUDNBSSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1=O ZINC000969644959 662323961 /nfs/dbraw/zinc/32/39/61/662323961.db2.gz QPDIIGHVZWUJRF-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000969626146 662324271 /nfs/dbraw/zinc/32/42/71/662324271.db2.gz QMYFZJSSGLFMFH-SECBINFHSA-N 1 1 320.361 -1.389 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001020570573 662324542 /nfs/dbraw/zinc/32/45/42/662324542.db2.gz NVKBXOYNUXUBRA-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC000969766949 662328838 /nfs/dbraw/zinc/32/88/38/662328838.db2.gz SDTQZUMWLFLSAS-PWSUYJOCSA-N 1 1 321.385 -1.022 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001020581110 662328989 /nfs/dbraw/zinc/32/89/89/662328989.db2.gz UEELNDPBJQHDBM-FSZOTQKASA-N 1 1 322.369 -1.415 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766097 662329040 /nfs/dbraw/zinc/32/90/40/662329040.db2.gz HUHMKLLAUPZRHZ-GHMZBOCLSA-N 1 1 321.385 -1.022 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001020582136 662329437 /nfs/dbraw/zinc/32/94/37/662329437.db2.gz ZXHQLZPAWCDLKY-AATLWQCWSA-N 1 1 323.357 -2.020 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000969784368 662329887 /nfs/dbraw/zinc/32/98/87/662329887.db2.gz KUFCAIXINJQAHQ-BBBLOLIVSA-N 1 1 323.357 -2.394 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969790372 662330803 /nfs/dbraw/zinc/33/08/03/662330803.db2.gz WJGKISQRVQMDLB-WDEREUQCSA-N 1 1 310.398 -1.011 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000969791337 662330868 /nfs/dbraw/zinc/33/08/68/662330868.db2.gz SPBRYKWGIMVZSF-AEJSXWLSSA-N 1 1 323.357 -2.537 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969792996 662330946 /nfs/dbraw/zinc/33/09/46/662330946.db2.gz BIJDNHLDLYZWAF-NNYUYHANSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969790367 662331254 /nfs/dbraw/zinc/33/12/54/662331254.db2.gz WJGKISQRVQMDLB-GHMZBOCLSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969790370 662331481 /nfs/dbraw/zinc/33/14/81/662331481.db2.gz WJGKISQRVQMDLB-QWRGUYRKSA-N 1 1 310.398 -1.011 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969798694 662331638 /nfs/dbraw/zinc/33/16/38/662331638.db2.gz XRBJHRBFVIBWKG-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969798694 662331644 /nfs/dbraw/zinc/33/16/44/662331644.db2.gz XRBJHRBFVIBWKG-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969798692 662331852 /nfs/dbraw/zinc/33/18/52/662331852.db2.gz XRBJHRBFVIBWKG-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969798692 662331854 /nfs/dbraw/zinc/33/18/54/662331854.db2.gz XRBJHRBFVIBWKG-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020589801 662332220 /nfs/dbraw/zinc/33/22/20/662332220.db2.gz CNUXJDHSZWPKJH-XWLWVQCSSA-N 1 1 321.385 -1.329 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)nn1 ZINC001039052370 662332454 /nfs/dbraw/zinc/33/24/54/662332454.db2.gz KVAMUSLFIXFDLS-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCCO)nn1 ZINC001039052370 662332457 /nfs/dbraw/zinc/33/24/57/662332457.db2.gz KVAMUSLFIXFDLS-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001020598279 662333165 /nfs/dbraw/zinc/33/31/65/662333165.db2.gz NRLVCWDYJDVYSW-DBIOUOCHSA-N 1 1 321.385 -1.059 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969878492 662333634 /nfs/dbraw/zinc/33/36/34/662333634.db2.gz RIZJFUQIWPXTQD-JOYOIKCWSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCC(=O)N1 ZINC001020611674 662333647 /nfs/dbraw/zinc/33/36/47/662333647.db2.gz OCZPGPSONXWMFT-XWLWVQCSSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969878489 662333939 /nfs/dbraw/zinc/33/39/39/662333939.db2.gz RIZJFUQIWPXTQD-CABZTGNLSA-N 1 1 319.365 -1.281 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000969916877 662334385 /nfs/dbraw/zinc/33/43/85/662334385.db2.gz SOSKEORWALYYLX-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020637311 662334408 /nfs/dbraw/zinc/33/44/08/662334408.db2.gz QGWSAXNLSMQYBS-MGCOHNPYSA-N 1 1 320.353 -1.259 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001020645233 662334748 /nfs/dbraw/zinc/33/47/48/662334748.db2.gz DVFWQHVSONEUHI-NRPADANISA-N 1 1 321.341 -1.850 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001020646957 662334805 /nfs/dbraw/zinc/33/48/05/662334805.db2.gz AANYCDPNXLMMFC-GUBZILKMSA-N 1 1 318.337 -1.189 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC000969963687 662335175 /nfs/dbraw/zinc/33/51/75/662335175.db2.gz AWJWDQKAGWDEMH-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000969996655 662336181 /nfs/dbraw/zinc/33/61/81/662336181.db2.gz BJOPJESYOGKSNP-WCQGTBRESA-N 1 1 323.353 -1.145 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970012708 662338001 /nfs/dbraw/zinc/33/80/01/662338001.db2.gz GXBDHAUURWRAPW-GHMZBOCLSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970012708 662338006 /nfs/dbraw/zinc/33/80/06/662338006.db2.gz GXBDHAUURWRAPW-GHMZBOCLSA-N 1 1 320.353 -1.267 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)[nH]1 ZINC000970118768 662343434 /nfs/dbraw/zinc/34/34/34/662343434.db2.gz IIDQMTIJQOMKNP-BDAKNGLRSA-N 1 1 321.341 -1.598 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020887971 662344150 /nfs/dbraw/zinc/34/41/50/662344150.db2.gz YWKMHBGJQIEMJI-KYZUINATSA-N 1 1 322.325 -1.252 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020906408 662344870 /nfs/dbraw/zinc/34/48/70/662344870.db2.gz GXVWKZHCXGOTFN-KYZUINATSA-N 1 1 321.341 -1.864 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020929962 662344966 /nfs/dbraw/zinc/34/49/66/662344966.db2.gz JQZLCYKRLRVFFE-MGCOHNPYSA-N 1 1 304.358 -1.077 20 0 DAADMO COCCNC(=O)CN1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000788009025 662346123 /nfs/dbraw/zinc/34/61/23/662346123.db2.gz QIJDOYMDXXQEAU-UHFFFAOYSA-N 1 1 316.402 -1.224 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000949317909 662346149 /nfs/dbraw/zinc/34/61/49/662346149.db2.gz LLLVZOLZPHAGOC-UHFFFAOYSA-N 1 1 319.369 -1.042 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001021014772 662346511 /nfs/dbraw/zinc/34/65/11/662346511.db2.gz KECZCZLNBIBWLV-KYZUINATSA-N 1 1 318.341 -1.646 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1)c1nnnn1C ZINC001021020247 662346574 /nfs/dbraw/zinc/34/65/74/662346574.db2.gz AGCKZCJFFBRFLK-OPRDCNLKSA-N 1 1 305.346 -1.200 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000970177033 662346719 /nfs/dbraw/zinc/34/67/19/662346719.db2.gz QADYGVPPFKPXGL-UWVGGRQHSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970177643 662346862 /nfs/dbraw/zinc/34/68/62/662346862.db2.gz ZEPQIMJWMMZJEB-BDAKNGLRSA-N 1 1 307.354 -1.296 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC000968785432 662346899 /nfs/dbraw/zinc/34/68/99/662346899.db2.gz BBSTXRXDRVOIOE-SNVBAGLBSA-N 1 1 313.383 -1.450 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000970177035 662346952 /nfs/dbraw/zinc/34/69/52/662346952.db2.gz QADYGVPPFKPXGL-ZJUUUORDSA-N 1 1 321.381 -1.035 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001021023473 662347543 /nfs/dbraw/zinc/34/75/43/662347543.db2.gz GXAZCUQUMDMHBK-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001021025363 662348036 /nfs/dbraw/zinc/34/80/36/662348036.db2.gz LPANHMQJPVIWBK-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001021027800 662348473 /nfs/dbraw/zinc/34/84/73/662348473.db2.gz XDFQPHLVJWPJQE-KYZUINATSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970183896 662348546 /nfs/dbraw/zinc/34/85/46/662348546.db2.gz FJQXQVZQSOZDHJ-BXKDBHETSA-N 1 1 319.365 -1.281 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021045881 662349070 /nfs/dbraw/zinc/34/90/70/662349070.db2.gz JMVOEUUXTKULDP-HAQNSBGRSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c(=O)[nH]c1=O ZINC001021041715 662349353 /nfs/dbraw/zinc/34/93/53/662349353.db2.gz VRJPHTVGLBVEKW-ZKCHVHJHSA-N 1 1 320.309 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001021080424 662354254 /nfs/dbraw/zinc/35/42/54/662354254.db2.gz NFZZQRFRLJHZOF-GMTAPVOTSA-N 1 1 324.385 -1.032 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001021080424 662354255 /nfs/dbraw/zinc/35/42/55/662354255.db2.gz NFZZQRFRLJHZOF-GMTAPVOTSA-N 1 1 324.385 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001021099291 662354288 /nfs/dbraw/zinc/35/42/88/662354288.db2.gz UWFLYLHRGYDUCL-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001021079526 662354454 /nfs/dbraw/zinc/35/44/54/662354454.db2.gz ACHFLJLETSUYEL-SRVKXCTJSA-N 1 1 323.401 -1.332 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)n1 ZINC000970255207 662354566 /nfs/dbraw/zinc/35/45/66/662354566.db2.gz USNLOOFKSMTPOC-SNVBAGLBSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)nn1 ZINC000970254758 662354882 /nfs/dbraw/zinc/35/48/82/662354882.db2.gz JRWDALIUXUBTRV-SNVBAGLBSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970254748 662355037 /nfs/dbraw/zinc/35/50/37/662355037.db2.gz JMODHNDFHBLWHY-SNVBAGLBSA-N 1 1 320.353 -1.442 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970265589 662355627 /nfs/dbraw/zinc/35/56/27/662355627.db2.gz RHJQATWQARVOJD-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970271442 662356392 /nfs/dbraw/zinc/35/63/92/662356392.db2.gz OMUAUDGQIVQWEJ-GXSJLCMTSA-N 1 1 311.386 -1.465 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001021134467 662356644 /nfs/dbraw/zinc/35/66/44/662356644.db2.gz PKWJPDBWJARSIJ-GUBZILKMSA-N 1 1 322.373 -1.510 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000970287750 662356710 /nfs/dbraw/zinc/35/67/10/662356710.db2.gz LGDGPJOGZHCDRZ-RKDXNWHRSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970288493 662356764 /nfs/dbraw/zinc/35/67/64/662356764.db2.gz SOFMXRYWWPKSOU-APPZFPTMSA-N 1 1 321.341 -1.935 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC000970282981 662357015 /nfs/dbraw/zinc/35/70/15/662357015.db2.gz FGTXIEXFWBGRNR-SECBINFHSA-N 1 1 321.341 -1.645 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC000970282916 662357124 /nfs/dbraw/zinc/35/71/24/662357124.db2.gz ASOSIFMZMOLEQP-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC000970289576 662357346 /nfs/dbraw/zinc/35/73/46/662357346.db2.gz IWPGVDQQTJDPQT-GXSJLCMTSA-N 1 1 321.385 -1.119 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970342661 662359179 /nfs/dbraw/zinc/35/91/79/662359179.db2.gz DHSSYPWZDVBTQG-BDAKNGLRSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970355135 662359722 /nfs/dbraw/zinc/35/97/22/662359722.db2.gz WWDWAIPLZXXESH-GXSJLCMTSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)c1N ZINC001038186305 662360217 /nfs/dbraw/zinc/36/02/17/662360217.db2.gz CBJFGGSPRIFXEC-JTQLQIEISA-N 1 1 321.385 -1.168 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)c1N ZINC001038186305 662360222 /nfs/dbraw/zinc/36/02/22/662360222.db2.gz CBJFGGSPRIFXEC-JTQLQIEISA-N 1 1 321.385 -1.168 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021234922 662360973 /nfs/dbraw/zinc/36/09/73/662360973.db2.gz FQIHHWRCYSZBFW-PSEXLTFBSA-N 1 1 310.398 -1.086 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021234924 662361291 /nfs/dbraw/zinc/36/12/91/662361291.db2.gz FQIHHWRCYSZBFW-WVMKXHBISA-N 1 1 310.398 -1.086 20 0 DAADMO O=C(Cn1ncnn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001021257877 662361773 /nfs/dbraw/zinc/36/17/73/662361773.db2.gz NJZIXSOEMHRMJP-FGNRJIRKSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(CN1CCOCC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021280911 662362581 /nfs/dbraw/zinc/36/25/81/662362581.db2.gz CQOSVYRDRYOLBG-YHWZYXNKSA-N 1 1 311.382 -1.051 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676525 662363661 /nfs/dbraw/zinc/36/36/61/662363661.db2.gz GAZWYPXNRSRRLY-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676525 662363662 /nfs/dbraw/zinc/36/36/62/662363662.db2.gz GAZWYPXNRSRRLY-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010696068 662364131 /nfs/dbraw/zinc/36/41/31/662364131.db2.gz GIWHLSRJXDEOSV-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970584083 662364599 /nfs/dbraw/zinc/36/45/99/662364599.db2.gz SCSZVNRXRAAECK-KWQFWETISA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970576479 662364955 /nfs/dbraw/zinc/36/49/55/662364955.db2.gz BVLJCKWLUSPCCB-GZMMTYOYSA-N 1 1 322.365 -1.636 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576736 662365031 /nfs/dbraw/zinc/36/50/31/662365031.db2.gz FEHUSRCZPOJHPO-KWQFWETISA-N 1 1 324.381 -1.260 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700435 662365576 /nfs/dbraw/zinc/36/55/76/662365576.db2.gz YDJZDIHDQWGPGW-NXEZZACHSA-N 1 1 308.342 -1.595 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700435 662365579 /nfs/dbraw/zinc/36/55/79/662365579.db2.gz YDJZDIHDQWGPGW-NXEZZACHSA-N 1 1 308.342 -1.595 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970616304 662365690 /nfs/dbraw/zinc/36/56/90/662365690.db2.gz LYSKQBIEXJLTMT-MRVPVSSYSA-N 1 1 322.325 -1.329 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001021366309 662366112 /nfs/dbraw/zinc/36/61/12/662366112.db2.gz WMVOTOJWDFDWMS-PBINXNQUSA-N 1 1 323.353 -1.865 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000970647696 662366642 /nfs/dbraw/zinc/36/66/42/662366642.db2.gz ATGLRKCSQKVIAP-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO NC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001021410645 662366829 /nfs/dbraw/zinc/36/68/29/662366829.db2.gz SCQQPALVDANWFS-QWRGUYRKSA-N 1 1 322.365 -1.364 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970661513 662366865 /nfs/dbraw/zinc/36/68/65/662366865.db2.gz GZJRBIGWNSHGEE-SECBINFHSA-N 1 1 322.325 -1.380 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001010727831 662367040 /nfs/dbraw/zinc/36/70/40/662367040.db2.gz XLZXWGKZTNFNPD-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000970655428 662367158 /nfs/dbraw/zinc/36/71/58/662367158.db2.gz DQVXFMOGUWLEIZ-ZJUUUORDSA-N 1 1 312.370 -2.109 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000970674643 662367463 /nfs/dbraw/zinc/36/74/63/662367463.db2.gz YEWYUSFOMKUHGK-SNVBAGLBSA-N 1 1 320.353 -1.345 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000970681447 662367985 /nfs/dbraw/zinc/36/79/85/662367985.db2.gz KGEDDPAJDQRWPD-LLVKDONJSA-N 1 1 317.353 -1.238 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000970712793 662368628 /nfs/dbraw/zinc/36/86/28/662368628.db2.gz SHCRPFZIAVCKRL-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC000970744750 662369230 /nfs/dbraw/zinc/36/92/30/662369230.db2.gz FBMBICCTTLSSKZ-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970760400 662369623 /nfs/dbraw/zinc/36/96/23/662369623.db2.gz OHYBMRVLIVUKAT-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)C1 ZINC000970763176 662369716 /nfs/dbraw/zinc/36/97/16/662369716.db2.gz QOMKCDWPZDISNC-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NCc3nnnn3C)C2)C1 ZINC000970763176 662369718 /nfs/dbraw/zinc/36/97/18/662369718.db2.gz QOMKCDWPZDISNC-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)C1 ZINC000970761626 662369756 /nfs/dbraw/zinc/36/97/56/662369756.db2.gz FJNUSASGDINGJN-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)C1 ZINC000970761626 662369760 /nfs/dbraw/zinc/36/97/60/662369760.db2.gz FJNUSASGDINGJN-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970764351 662370230 /nfs/dbraw/zinc/37/02/30/662370230.db2.gz ROBZYAQZHPCVDR-CABZTGNLSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000970845432 662373045 /nfs/dbraw/zinc/37/30/45/662373045.db2.gz JCNIRRLKWONXTA-VHSXEESVSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)O1 ZINC001010802884 662373048 /nfs/dbraw/zinc/37/30/48/662373048.db2.gz JBBARWIOJBYUTE-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)O1 ZINC001010802884 662373049 /nfs/dbraw/zinc/37/30/49/662373049.db2.gz JBBARWIOJBYUTE-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098474 662380169 /nfs/dbraw/zinc/38/01/69/662380169.db2.gz FUQFXEAORDLRLY-MWLCHTKSSA-N 1 1 307.372 -1.865 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970846979 662373198 /nfs/dbraw/zinc/37/31/98/662373198.db2.gz XWDDNUNGLIENPI-SKDRFNHKSA-N 1 1 319.365 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000970845430 662373207 /nfs/dbraw/zinc/37/32/07/662373207.db2.gz JCNIRRLKWONXTA-NXEZZACHSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000970845433 662373296 /nfs/dbraw/zinc/37/32/96/662373296.db2.gz JCNIRRLKWONXTA-ZJUUUORDSA-N 1 1 321.381 -1.035 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000970893440 662374073 /nfs/dbraw/zinc/37/40/73/662374073.db2.gz IPAJSKRLUVPMHR-NXEZZACHSA-N 1 1 320.353 -1.442 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098474 662380170 /nfs/dbraw/zinc/38/01/70/662380170.db2.gz FUQFXEAORDLRLY-MWLCHTKSSA-N 1 1 307.372 -1.865 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)nn1 ZINC000970892961 662374206 /nfs/dbraw/zinc/37/42/06/662374206.db2.gz CQPAKPTUDAKFIY-VHSXEESVSA-N 1 1 320.353 -1.442 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC000970906410 662374501 /nfs/dbraw/zinc/37/45/01/662374501.db2.gz URRMDCFRCQUIGJ-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccnnc3)[C@@H](O)C2)C1 ZINC000970907411 662374687 /nfs/dbraw/zinc/37/46/87/662374687.db2.gz KDIDTPSBPBNYMV-UPJWGTAASA-N 1 1 319.365 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912317 662374694 /nfs/dbraw/zinc/37/46/94/662374694.db2.gz YKWQMYUINIMEMY-AAEUAGOBSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912317 662374696 /nfs/dbraw/zinc/37/46/96/662374696.db2.gz YKWQMYUINIMEMY-AAEUAGOBSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912325 662374708 /nfs/dbraw/zinc/37/47/08/662374708.db2.gz YKWQMYUINIMEMY-DGCLKSJQSA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912325 662374710 /nfs/dbraw/zinc/37/47/10/662374710.db2.gz YKWQMYUINIMEMY-DGCLKSJQSA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970932455 662375231 /nfs/dbraw/zinc/37/52/31/662375231.db2.gz QJWCEMGFXYCMKZ-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970932455 662375234 /nfs/dbraw/zinc/37/52/34/662375234.db2.gz QJWCEMGFXYCMKZ-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021589157 662375329 /nfs/dbraw/zinc/37/53/29/662375329.db2.gz WBTSHTFFZMAHBZ-MNOVXSKESA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021589159 662375500 /nfs/dbraw/zinc/37/55/00/662375500.db2.gz WBTSHTFFZMAHBZ-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970942456 662375783 /nfs/dbraw/zinc/37/57/83/662375783.db2.gz SKKOTQGAVQTPAL-ONGXEEELSA-N 1 1 321.381 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000970940474 662375887 /nfs/dbraw/zinc/37/58/87/662375887.db2.gz DBTORPTZLVHWRP-VHSXEESVSA-N 1 1 323.397 -1.092 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970940737 662376049 /nfs/dbraw/zinc/37/60/49/662376049.db2.gz HFWYFWLCLDIIML-JTQLQIEISA-N 1 1 323.397 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2nnn(C)n2)C1 ZINC001021645141 662377437 /nfs/dbraw/zinc/37/74/37/662377437.db2.gz KTAKWQIDZGTSHH-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044889 662377766 /nfs/dbraw/zinc/37/77/66/662377766.db2.gz JRIKZISCMMKEDD-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044889 662377770 /nfs/dbraw/zinc/37/77/70/662377770.db2.gz JRIKZISCMMKEDD-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047384 662377893 /nfs/dbraw/zinc/37/78/93/662377893.db2.gz YYVMQQUTSDILTF-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046642 662378203 /nfs/dbraw/zinc/37/82/03/662378203.db2.gz SSQJMXSWWFPYCN-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046648 662378214 /nfs/dbraw/zinc/37/82/14/662378214.db2.gz SVLKAHURLPQAKN-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971050519 662378261 /nfs/dbraw/zinc/37/82/61/662378261.db2.gz YZFXDRAUWWPBCR-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cnnn2)C1 ZINC001021698776 662378561 /nfs/dbraw/zinc/37/85/61/662378561.db2.gz DVYFXKWCYVBYSX-NWDGAFQWSA-N 1 1 321.385 -1.139 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001021712201 662378610 /nfs/dbraw/zinc/37/86/10/662378610.db2.gz KRGDNYSXVZTKOQ-WDEREUQCSA-N 1 1 305.338 -1.264 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000062265483 662379248 /nfs/dbraw/zinc/37/92/48/662379248.db2.gz WTZORDXSJKGZQM-UHFFFAOYSA-N 1 1 320.415 -1.683 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240470 662380087 /nfs/dbraw/zinc/38/00/87/662380087.db2.gz ZHQKURHBDSVEIK-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240470 662380088 /nfs/dbraw/zinc/38/00/88/662380088.db2.gz ZHQKURHBDSVEIK-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240468 662380203 /nfs/dbraw/zinc/38/02/03/662380203.db2.gz ZHQKURHBDSVEIK-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971240468 662380206 /nfs/dbraw/zinc/38/02/06/662380206.db2.gz ZHQKURHBDSVEIK-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239216 662380225 /nfs/dbraw/zinc/38/02/25/662380225.db2.gz NYSCCWBPXSAOJB-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239216 662380227 /nfs/dbraw/zinc/38/02/27/662380227.db2.gz NYSCCWBPXSAOJB-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933096831 662380242 /nfs/dbraw/zinc/38/02/42/662380242.db2.gz OWNPMYNCZCHYSF-NWDGAFQWSA-N 1 1 322.431 -2.240 20 0 DAADMO CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971269837 662380563 /nfs/dbraw/zinc/38/05/63/662380563.db2.gz CMCZFELNGOJIIC-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971269837 662380565 /nfs/dbraw/zinc/38/05/65/662380565.db2.gz CMCZFELNGOJIIC-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC[N@H+]1C ZINC001021802620 662380978 /nfs/dbraw/zinc/38/09/78/662380978.db2.gz HLQZVZNYNGQUBN-WRWGMCAJSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001021816082 662381020 /nfs/dbraw/zinc/38/10/20/662381020.db2.gz CSZNCKPXPCQHFT-HLTSFMKQSA-N 1 1 306.334 -1.805 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001021816584 662381044 /nfs/dbraw/zinc/38/10/44/662381044.db2.gz NLEWPQXOAIRLAB-AOOOYVTPSA-N 1 1 305.346 -1.279 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001021817781 662381500 /nfs/dbraw/zinc/38/15/00/662381500.db2.gz YLQCGPLQWZBCMO-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001021817781 662381502 /nfs/dbraw/zinc/38/15/02/662381502.db2.gz YLQCGPLQWZBCMO-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971376904 662381587 /nfs/dbraw/zinc/38/15/87/662381587.db2.gz QESALANDVFTNNG-VHSXEESVSA-N 1 1 310.358 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001039366909 662381947 /nfs/dbraw/zinc/38/19/47/662381947.db2.gz GGFFEITULPQTQG-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001039366909 662381949 /nfs/dbraw/zinc/38/19/49/662381949.db2.gz GGFFEITULPQTQG-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1nncc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137443 662382542 /nfs/dbraw/zinc/38/25/42/662382542.db2.gz OXRUQUJTTMHCOD-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137443 662382545 /nfs/dbraw/zinc/38/25/45/662382545.db2.gz OXRUQUJTTMHCOD-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001021926635 662382807 /nfs/dbraw/zinc/38/28/07/662382807.db2.gz QXBFBOHOFXTWFU-OUAUKWLOSA-N 1 1 309.374 -1.723 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001021927950 662382956 /nfs/dbraw/zinc/38/29/56/662382956.db2.gz KATMWYAJUIOIHP-NNYUYHANSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2N)C1 ZINC001021910923 662383154 /nfs/dbraw/zinc/38/31/54/662383154.db2.gz OFBORQHMEMQUBZ-OCAPTIKFSA-N 1 1 303.330 -1.367 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC000971449979 662383367 /nfs/dbraw/zinc/38/33/67/662383367.db2.gz XQSXDCJHFFNPED-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001021949049 662383551 /nfs/dbraw/zinc/38/35/51/662383551.db2.gz DZIKEGZOTOYIDU-BBBLOLIVSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971448375 662383670 /nfs/dbraw/zinc/38/36/70/662383670.db2.gz PDISKFLKTQVVCZ-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452601 662383683 /nfs/dbraw/zinc/38/36/83/662383683.db2.gz RTIRXKWFMBCSPM-GHMZBOCLSA-N 1 1 308.342 -1.081 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC000971449981 662383762 /nfs/dbraw/zinc/38/37/62/662383762.db2.gz XQSXDCJHFFNPED-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001021980192 662384138 /nfs/dbraw/zinc/38/41/38/662384138.db2.gz HMYIJNPIMRKAHP-TXEJJXNPSA-N 1 1 308.386 -1.116 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000322323921 662384439 /nfs/dbraw/zinc/38/44/39/662384439.db2.gz IYERKFQCHQMOCA-UHFFFAOYSA-N 1 1 323.415 -1.228 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCCN2C)C1)c1nnnn1C ZINC001021991483 662384443 /nfs/dbraw/zinc/38/44/43/662384443.db2.gz RAWDMRDUGKDGHE-WYUUTHIRSA-N 1 1 323.401 -1.162 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545254 662385056 /nfs/dbraw/zinc/38/50/56/662385056.db2.gz NUKWPUCEVMQKGN-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971566829 662385279 /nfs/dbraw/zinc/38/52/79/662385279.db2.gz JYVQKYBSYPUHDK-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001022067343 662385709 /nfs/dbraw/zinc/38/57/09/662385709.db2.gz BRNYLHKLMURXFN-PHIMTYICSA-N 1 1 304.358 -1.077 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022082595 662385787 /nfs/dbraw/zinc/38/57/87/662385787.db2.gz DACJICYCZHQMHO-DTORHVGOSA-N 1 1 318.345 -1.569 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC000971639806 662387127 /nfs/dbraw/zinc/38/71/27/662387127.db2.gz BQLZOYAUHQWUNR-JTQLQIEISA-N 1 1 323.353 -2.435 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC000971639806 662387130 /nfs/dbraw/zinc/38/71/30/662387130.db2.gz BQLZOYAUHQWUNR-JTQLQIEISA-N 1 1 323.353 -2.435 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022134255 662387153 /nfs/dbraw/zinc/38/71/53/662387153.db2.gz RUYPNEUTBSDIHA-AOOOYVTPSA-N 1 1 313.383 -1.404 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640231 662387181 /nfs/dbraw/zinc/38/71/81/662387181.db2.gz DAVWTZSODVUIMA-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022133522 662387219 /nfs/dbraw/zinc/38/72/19/662387219.db2.gz FOGQFMJBMVYAOG-AOOOYVTPSA-N 1 1 313.383 -1.404 20 0 DAADMO CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001022159231 662387494 /nfs/dbraw/zinc/38/74/94/662387494.db2.gz YPPBPEGOWFGFCM-MXWKQRLJSA-N 1 1 321.385 -1.185 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001022159230 662387823 /nfs/dbraw/zinc/38/78/23/662387823.db2.gz YPPBPEGOWFGFCM-GARJFASQSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000971644387 662387874 /nfs/dbraw/zinc/38/78/74/662387874.db2.gz FVKQPCPVWDVEJQ-MRVPVSSYSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000971644387 662387875 /nfs/dbraw/zinc/38/78/75/662387875.db2.gz FVKQPCPVWDVEJQ-MRVPVSSYSA-N 1 1 303.326 -1.016 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001022160047 662388374 /nfs/dbraw/zinc/38/83/74/662388374.db2.gz AMTQYWMSVYVAAB-DBIOUOCHSA-N 1 1 321.385 -1.014 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)o1 ZINC001022218603 662388498 /nfs/dbraw/zinc/38/84/98/662388498.db2.gz NONJGTIILLUVAF-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000971690470 662388658 /nfs/dbraw/zinc/38/86/58/662388658.db2.gz SREIWIJENMPPSB-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000971689494 662388774 /nfs/dbraw/zinc/38/87/74/662388774.db2.gz JRAAMVIEPFUOSN-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC000971725547 662388928 /nfs/dbraw/zinc/38/89/28/662388928.db2.gz IIELDIWKVJHMOC-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC000971725546 662389151 /nfs/dbraw/zinc/38/91/51/662389151.db2.gz IIELDIWKVJHMOC-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001022251994 662389390 /nfs/dbraw/zinc/38/93/90/662389390.db2.gz RLGNXBGAQDPNBN-GARJFASQSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC000947463701 662389442 /nfs/dbraw/zinc/38/94/42/662389442.db2.gz LJWWETCMJWVMOU-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC000947463701 662389446 /nfs/dbraw/zinc/38/94/46/662389446.db2.gz LJWWETCMJWVMOU-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001038221276 662389703 /nfs/dbraw/zinc/38/97/03/662389703.db2.gz LLUFBPAWZKVJFC-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001038221276 662389705 /nfs/dbraw/zinc/38/97/05/662389705.db2.gz LLUFBPAWZKVJFC-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001022301390 662389737 /nfs/dbraw/zinc/38/97/37/662389737.db2.gz PPQJDRYXLIHNLS-PHIMTYICSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001038221291 662389762 /nfs/dbraw/zinc/38/97/62/662389762.db2.gz LLUFBPAWZKVJFC-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001038221291 662389764 /nfs/dbraw/zinc/38/97/64/662389764.db2.gz LLUFBPAWZKVJFC-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001038224273 662390155 /nfs/dbraw/zinc/39/01/55/662390155.db2.gz VOOJMOTWLUNVSC-UWVGGRQHSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001038224273 662390156 /nfs/dbraw/zinc/39/01/56/662390156.db2.gz VOOJMOTWLUNVSC-UWVGGRQHSA-N 1 1 324.337 -1.566 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)CC1=O ZINC001022329238 662390355 /nfs/dbraw/zinc/39/03/55/662390355.db2.gz HGBQHFAMBYOWAY-PHIMTYICSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001022343978 662390832 /nfs/dbraw/zinc/39/08/32/662390832.db2.gz XKEJGKZQVYIFGK-XWLWVQCSSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971817400 662390866 /nfs/dbraw/zinc/39/08/66/662390866.db2.gz FJWLPORETKBVTR-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817732 662391009 /nfs/dbraw/zinc/39/10/09/662391009.db2.gz JPHBXDOVWIFOLU-NXEZZACHSA-N 1 1 322.369 -1.436 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817732 662391012 /nfs/dbraw/zinc/39/10/12/662391012.db2.gz JPHBXDOVWIFOLU-NXEZZACHSA-N 1 1 322.369 -1.436 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncccn3)C2)c1=O ZINC001022332615 662391035 /nfs/dbraw/zinc/39/10/35/662391035.db2.gz AHOFVKHJYBUBEL-PHIMTYICSA-N 1 1 317.353 -1.191 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1cnn[nH]1 ZINC001022347724 662391058 /nfs/dbraw/zinc/39/10/58/662391058.db2.gz YBRYBIFPYSZBIN-DTORHVGOSA-N 1 1 306.326 -1.196 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)CCO1 ZINC001022354216 662391139 /nfs/dbraw/zinc/39/11/39/662391139.db2.gz JDLMJOHUTIACFP-GARJFASQSA-N 1 1 322.369 -1.098 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)c1=O ZINC000971821526 662391320 /nfs/dbraw/zinc/39/13/20/662391320.db2.gz MTPIEPLXPBAVIN-QWRGUYRKSA-N 1 1 322.369 -1.997 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971824692 662391457 /nfs/dbraw/zinc/39/14/57/662391457.db2.gz RKWSDOCKFUXYGG-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001022353210 662391468 /nfs/dbraw/zinc/39/14/68/662391468.db2.gz UYNJSBWNZSZQPU-PHIMTYICSA-N 1 1 317.353 -1.041 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC000933797962 662391592 /nfs/dbraw/zinc/39/15/92/662391592.db2.gz JNYSFHGFIKJJIH-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC000933797964 662391841 /nfs/dbraw/zinc/39/18/41/662391841.db2.gz JNYSFHGFIKJJIH-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCCc1nnnn1C ZINC000933863719 662392305 /nfs/dbraw/zinc/39/23/05/662392305.db2.gz HCIBGWVJFAYLKN-NSHDSACASA-N 1 1 323.401 -1.189 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@]2(C)CCNC2=O)CC1 ZINC000891879470 662392319 /nfs/dbraw/zinc/39/23/19/662392319.db2.gz SEQHOZXCMPQOOM-CQSZACIVSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000971892280 662393282 /nfs/dbraw/zinc/39/32/82/662393282.db2.gz IDNIIMZGPXUWKV-GHMZBOCLSA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000971892280 662393284 /nfs/dbraw/zinc/39/32/84/662393284.db2.gz IDNIIMZGPXUWKV-GHMZBOCLSA-N 1 1 311.386 -1.205 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971886575 662393376 /nfs/dbraw/zinc/39/33/76/662393376.db2.gz XSJXNOGHZJXNLX-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022538230 662394231 /nfs/dbraw/zinc/39/42/31/662394231.db2.gz WBPWVWKFSHNLMF-AOOOYVTPSA-N 1 1 308.342 -1.762 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001022535283 662394331 /nfs/dbraw/zinc/39/43/31/662394331.db2.gz HPJMULIKQRUVEO-PHIMTYICSA-N 1 1 322.369 -1.453 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001022545586 662394809 /nfs/dbraw/zinc/39/48/09/662394809.db2.gz YXUSYUWGARCZRU-DOLQZWNJSA-N 1 1 322.373 -1.469 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001022545588 662394973 /nfs/dbraw/zinc/39/49/73/662394973.db2.gz YXUSYUWGARCZRU-QEYWKRMJSA-N 1 1 322.373 -1.469 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001022545455 662395125 /nfs/dbraw/zinc/39/51/25/662395125.db2.gz VKJDRZUTXLPKLN-WCABBAIRSA-N 1 1 307.358 -1.425 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022552734 662395771 /nfs/dbraw/zinc/39/57/71/662395771.db2.gz UNQOEBWWHJLXMD-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001022559831 662396366 /nfs/dbraw/zinc/39/63/66/662396366.db2.gz BARCNRMZZKBWST-OCAPTIKFSA-N 1 1 322.329 -1.210 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555777 662396372 /nfs/dbraw/zinc/39/63/72/662396372.db2.gz WTOUWJFWSRVXQH-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555777 662396374 /nfs/dbraw/zinc/39/63/74/662396374.db2.gz WTOUWJFWSRVXQH-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001022560802 662396666 /nfs/dbraw/zinc/39/66/66/662396666.db2.gz UEHCWWDQJDWVHD-DTORHVGOSA-N 1 1 320.361 -1.172 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001022560370 662396726 /nfs/dbraw/zinc/39/67/26/662396726.db2.gz KSODVIXUZIYINP-OCAPTIKFSA-N 1 1 321.345 -1.290 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996106 662397227 /nfs/dbraw/zinc/39/72/27/662397227.db2.gz MYPICTUZTXDJET-JQWIXIFHSA-N 1 1 307.354 -1.110 20 0 DAADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971996804 662397811 /nfs/dbraw/zinc/39/78/11/662397811.db2.gz GZRYRYHCNGLOGQ-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC000971999911 662397895 /nfs/dbraw/zinc/39/78/95/662397895.db2.gz GITVJQUQOORJJQ-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC000971999911 662397899 /nfs/dbraw/zinc/39/78/99/662397899.db2.gz GITVJQUQOORJJQ-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001022629360 662398459 /nfs/dbraw/zinc/39/84/59/662398459.db2.gz AWPOAVBCVDUXBP-WCABBAIRSA-N 1 1 307.358 -1.284 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1CNC(=O)N1 ZINC001022629395 662398642 /nfs/dbraw/zinc/39/86/42/662398642.db2.gz BXMWMZACXWILCQ-KHQFGBGNSA-N 1 1 320.357 -1.574 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001022636242 662398749 /nfs/dbraw/zinc/39/87/49/662398749.db2.gz USXFGQLHPLSGQY-OLQVQODUSA-N 1 1 321.263 -1.543 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1CNC(=O)N1 ZINC001022629396 662398810 /nfs/dbraw/zinc/39/88/10/662398810.db2.gz BXMWMZACXWILCQ-XKSSXDPKSA-N 1 1 320.357 -1.574 20 0 DAADMO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972075480 662399416 /nfs/dbraw/zinc/39/94/16/662399416.db2.gz MEYHCHMXAIHTIZ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972074748 662399474 /nfs/dbraw/zinc/39/94/74/662399474.db2.gz CKMTVJPJGOHEDD-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080901 662399703 /nfs/dbraw/zinc/39/97/03/662399703.db2.gz XAAUTGQJIOTEAG-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078122 662399734 /nfs/dbraw/zinc/39/97/34/662399734.db2.gz DBEOUOOCDZQFHV-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)NC1=O ZINC000972078410 662400086 /nfs/dbraw/zinc/40/00/86/662400086.db2.gz GVOPFORDVKYEJN-VXGBXAGGSA-N 1 1 321.385 -1.166 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)NC1=O ZINC000972078409 662400108 /nfs/dbraw/zinc/40/01/08/662400108.db2.gz GVOPFORDVKYEJN-RYUDHWBXSA-N 1 1 321.385 -1.166 20 0 DAADMO O=C(CC[N@H+](CCO)CCN1CCOCC1)N1CCNCC1 ZINC000262068826 662400371 /nfs/dbraw/zinc/40/03/71/662400371.db2.gz JSUPYDWSHVQUOT-UHFFFAOYSA-N 1 1 314.430 -1.565 20 0 DAADMO O=C(CC[N@@H+](CCO)CCN1CCOCC1)N1CCNCC1 ZINC000262068826 662400374 /nfs/dbraw/zinc/40/03/74/662400374.db2.gz JSUPYDWSHVQUOT-UHFFFAOYSA-N 1 1 314.430 -1.565 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088864 662400464 /nfs/dbraw/zinc/40/04/64/662400464.db2.gz ZEYAHSSRZHPCRL-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088864 662400467 /nfs/dbraw/zinc/40/04/67/662400467.db2.gz ZEYAHSSRZHPCRL-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCCC3=O)C2)n1 ZINC000972111757 662400513 /nfs/dbraw/zinc/40/05/13/662400513.db2.gz IMQYOKSZXJPHFB-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC(N)=O ZINC000947494286 662400903 /nfs/dbraw/zinc/40/09/03/662400903.db2.gz WVPOZYVQUFTOFT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1CC(N)=O ZINC000947494286 662400909 /nfs/dbraw/zinc/40/09/09/662400909.db2.gz WVPOZYVQUFTOFT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000972117419 662401147 /nfs/dbraw/zinc/40/11/47/662401147.db2.gz UZZPEIGWIFHXSG-IUCAKERBSA-N 1 1 321.341 -1.838 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCCNC3=O)C2)n1 ZINC000972117063 662401316 /nfs/dbraw/zinc/40/13/16/662401316.db2.gz RNVFIMLOMKYSPC-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC000972116969 662401447 /nfs/dbraw/zinc/40/14/47/662401447.db2.gz REBFEVYLMSKELS-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC(N)=O ZINC000947494283 662401499 /nfs/dbraw/zinc/40/14/99/662401499.db2.gz WVPOZYVQUFTOFT-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1CC(N)=O ZINC000947494283 662401505 /nfs/dbraw/zinc/40/15/05/662401505.db2.gz WVPOZYVQUFTOFT-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001022720352 662401878 /nfs/dbraw/zinc/40/18/78/662401878.db2.gz CWWCUJGQYJHXFZ-OCAPTIKFSA-N 1 1 318.341 -1.312 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197630 662402456 /nfs/dbraw/zinc/40/24/56/662402456.db2.gz DTPXBOGJNWPAOZ-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)CC2 ZINC000972180215 662402664 /nfs/dbraw/zinc/40/26/64/662402664.db2.gz WFEQEJUWMJJDMR-QWRGUYRKSA-N 1 1 320.397 -1.062 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)CC2 ZINC000972180215 662402665 /nfs/dbraw/zinc/40/26/65/662402665.db2.gz WFEQEJUWMJJDMR-QWRGUYRKSA-N 1 1 320.397 -1.062 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198645 662402971 /nfs/dbraw/zinc/40/29/71/662402971.db2.gz IMOIYWMRMPDCMG-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCC(=O)N1 ZINC001022745169 662403366 /nfs/dbraw/zinc/40/33/66/662403366.db2.gz OCZPGPSONXWMFT-CHWFTXMASA-N 1 1 321.385 -1.138 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972200495 662403405 /nfs/dbraw/zinc/40/34/05/662403405.db2.gz ROCMSEYJHOYQPJ-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214051 662403833 /nfs/dbraw/zinc/40/38/33/662403833.db2.gz AFUDNFWVLHDYLW-SNVBAGLBSA-N 1 1 323.401 -1.011 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221425 662404042 /nfs/dbraw/zinc/40/40/42/662404042.db2.gz BWHUFNUBSFCLEO-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211103 662404055 /nfs/dbraw/zinc/40/40/55/662404055.db2.gz CLWCVVZLNMRPDG-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211103 662404060 /nfs/dbraw/zinc/40/40/60/662404060.db2.gz CLWCVVZLNMRPDG-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217795 662404067 /nfs/dbraw/zinc/40/40/67/662404067.db2.gz WYMIWHYVXIKBLU-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217795 662404068 /nfs/dbraw/zinc/40/40/68/662404068.db2.gz WYMIWHYVXIKBLU-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217213 662404292 /nfs/dbraw/zinc/40/42/92/662404292.db2.gz SVGHORPFJPWMAO-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217213 662404299 /nfs/dbraw/zinc/40/42/99/662404299.db2.gz SVGHORPFJPWMAO-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@@H+](CC1CCS(=O)(=O)CC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972213563 662404439 /nfs/dbraw/zinc/40/44/39/662404439.db2.gz SUSVOXQRLFUNTC-NSHDSACASA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972212147 662404554 /nfs/dbraw/zinc/40/45/54/662404554.db2.gz JQYVUNANVNQDPG-SNVBAGLBSA-N 1 1 318.337 -1.459 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249464 662405414 /nfs/dbraw/zinc/40/54/14/662405414.db2.gz PDQMUMBZAIOZAJ-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249464 662405417 /nfs/dbraw/zinc/40/54/17/662405417.db2.gz PDQMUMBZAIOZAJ-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972272048 662405630 /nfs/dbraw/zinc/40/56/30/662405630.db2.gz BHVULXFCDVQIFZ-TZMCWYRMSA-N 1 1 300.355 -1.303 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972272048 662405633 /nfs/dbraw/zinc/40/56/33/662405633.db2.gz BHVULXFCDVQIFZ-TZMCWYRMSA-N 1 1 300.355 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001011158620 662406869 /nfs/dbraw/zinc/40/68/69/662406869.db2.gz ARYCDKJEDFETMT-QWRGUYRKSA-N 1 1 309.370 -1.710 20 0 DAADMO Nc1nccnc1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972305438 662406913 /nfs/dbraw/zinc/40/69/13/662406913.db2.gz RSTNCJHTCYLHRT-CQSZACIVSA-N 1 1 307.354 -1.032 20 0 DAADMO Nc1nccnc1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972305438 662406921 /nfs/dbraw/zinc/40/69/21/662406921.db2.gz RSTNCJHTCYLHRT-CQSZACIVSA-N 1 1 307.354 -1.032 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972342812 662407571 /nfs/dbraw/zinc/40/75/71/662407571.db2.gz BPLADBUHWFTPHL-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001011162059 662407732 /nfs/dbraw/zinc/40/77/32/662407732.db2.gz ZNQUZANVILYEPF-NWDGAFQWSA-N 1 1 308.382 -1.255 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972342813 662407926 /nfs/dbraw/zinc/40/79/26/662407926.db2.gz BPLADBUHWFTPHL-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176593 662408239 /nfs/dbraw/zinc/40/82/39/662408239.db2.gz JRVRPVUHGKBNHN-RYUDHWBXSA-N 1 1 321.385 -1.458 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972349122 662408269 /nfs/dbraw/zinc/40/82/69/662408269.db2.gz QOKSJAHTLSQNLZ-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972349122 662408270 /nfs/dbraw/zinc/40/82/70/662408270.db2.gz QOKSJAHTLSQNLZ-UTUOFQBUSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176594 662408313 /nfs/dbraw/zinc/40/83/13/662408313.db2.gz JRVRPVUHGKBNHN-VXGBXAGGSA-N 1 1 321.385 -1.458 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972348708 662408326 /nfs/dbraw/zinc/40/83/26/662408326.db2.gz QZFSZYNEFKXJPR-ZDUSSCGKSA-N 1 1 311.342 -1.721 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972348708 662408328 /nfs/dbraw/zinc/40/83/28/662408328.db2.gz QZFSZYNEFKXJPR-ZDUSSCGKSA-N 1 1 311.342 -1.721 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972358029 662408625 /nfs/dbraw/zinc/40/86/25/662408625.db2.gz PDYBVTHSRRASHK-BXUZGUMPSA-N 1 1 313.354 -1.220 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972358029 662408627 /nfs/dbraw/zinc/40/86/27/662408627.db2.gz PDYBVTHSRRASHK-BXUZGUMPSA-N 1 1 313.354 -1.220 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381628 662408874 /nfs/dbraw/zinc/40/88/74/662408874.db2.gz SKOCFNIBQLCAAP-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381628 662408878 /nfs/dbraw/zinc/40/88/78/662408878.db2.gz SKOCFNIBQLCAAP-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949671542 662408972 /nfs/dbraw/zinc/40/89/72/662408972.db2.gz ATFSQYIJSNHMKV-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949671542 662408977 /nfs/dbraw/zinc/40/89/77/662408977.db2.gz ATFSQYIJSNHMKV-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949671539 662409090 /nfs/dbraw/zinc/40/90/90/662409090.db2.gz ATFSQYIJSNHMKV-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949671539 662409093 /nfs/dbraw/zinc/40/90/93/662409093.db2.gz ATFSQYIJSNHMKV-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972380052 662409162 /nfs/dbraw/zinc/40/91/62/662409162.db2.gz CLEVOYYQAPZWNN-CYBMUJFWSA-N 1 1 310.358 -1.377 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972380052 662409166 /nfs/dbraw/zinc/40/91/66/662409166.db2.gz CLEVOYYQAPZWNN-CYBMUJFWSA-N 1 1 310.358 -1.377 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1O ZINC001022847088 662409499 /nfs/dbraw/zinc/40/94/99/662409499.db2.gz JEYSMGSQUICUCM-FRRDWIJNSA-N 1 1 323.397 -1.089 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001022844674 662409521 /nfs/dbraw/zinc/40/95/21/662409521.db2.gz NPECDVBKCVSJHX-BIWMVHNJSA-N 1 1 323.393 -1.053 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC000947512771 662411151 /nfs/dbraw/zinc/41/11/51/662411151.db2.gz YIJSNQZPKYMMRX-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022862080 662412211 /nfs/dbraw/zinc/41/22/11/662412211.db2.gz SXZROMLPMURSRA-OCAPTIKFSA-N 1 1 308.298 -1.642 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001022861850 662412252 /nfs/dbraw/zinc/41/22/52/662412252.db2.gz IKPUYGMFIAJHHV-OCAPTIKFSA-N 1 1 322.329 -2.501 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022864366 662412970 /nfs/dbraw/zinc/41/29/70/662412970.db2.gz LSDOCDOCJDBOIP-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022864366 662412974 /nfs/dbraw/zinc/41/29/74/662412974.db2.gz LSDOCDOCJDBOIP-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001022868105 662413573 /nfs/dbraw/zinc/41/35/73/662413573.db2.gz SUQCSRGNYIOUGB-OCAPTIKFSA-N 1 1 307.314 -1.793 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001022868105 662413575 /nfs/dbraw/zinc/41/35/75/662413575.db2.gz SUQCSRGNYIOUGB-OCAPTIKFSA-N 1 1 307.314 -1.793 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)N1CCNC(=O)C1 ZINC001022869043 662413641 /nfs/dbraw/zinc/41/36/41/662413641.db2.gz JGRGLGSXCHHVMZ-DTORHVGOSA-N 1 1 321.341 -2.387 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)N1CCNC(=O)C1 ZINC001022869043 662413643 /nfs/dbraw/zinc/41/36/43/662413643.db2.gz JGRGLGSXCHHVMZ-DTORHVGOSA-N 1 1 321.341 -2.387 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1 ZINC001022871107 662413674 /nfs/dbraw/zinc/41/36/74/662413674.db2.gz YFEDZWJTSXWIFY-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1 ZINC001022871107 662413680 /nfs/dbraw/zinc/41/36/80/662413680.db2.gz YFEDZWJTSXWIFY-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1 ZINC001022868439 662413715 /nfs/dbraw/zinc/41/37/15/662413715.db2.gz IICCBEDABZZICQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1 ZINC001022868439 662413719 /nfs/dbraw/zinc/41/37/19/662413719.db2.gz IICCBEDABZZICQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000972416862 662414363 /nfs/dbraw/zinc/41/43/63/662414363.db2.gz KYQLDSIDDCYJDC-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000972416861 662414678 /nfs/dbraw/zinc/41/46/78/662414678.db2.gz KYQLDSIDDCYJDC-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CC1=O ZINC000972407634 662414687 /nfs/dbraw/zinc/41/46/87/662414687.db2.gz KZESNJWGGWFEGY-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CC1=O ZINC000972407634 662414688 /nfs/dbraw/zinc/41/46/88/662414688.db2.gz KZESNJWGGWFEGY-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972419780 662415560 /nfs/dbraw/zinc/41/55/60/662415560.db2.gz JEDCVDPHWKZSJY-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972419780 662415561 /nfs/dbraw/zinc/41/55/61/662415561.db2.gz JEDCVDPHWKZSJY-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001022903018 662416358 /nfs/dbraw/zinc/41/63/58/662416358.db2.gz DTABHEWLPNFIPA-DTORHVGOSA-N 1 1 305.346 -1.128 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@]2(C1)CN(CC(N)=O)CCO2 ZINC000972467402 662418795 /nfs/dbraw/zinc/41/87/95/662418795.db2.gz XGZCCNQAVWIJKN-OAHLLOKOSA-N 1 1 321.381 -1.020 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@H+](C)CCF)C2)C1=O ZINC000972474079 662419264 /nfs/dbraw/zinc/41/92/64/662419264.db2.gz YUZMSUQINPPACV-SECBINFHSA-N 1 1 314.317 -1.091 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)C1=O ZINC000972474079 662419265 /nfs/dbraw/zinc/41/92/65/662419265.db2.gz YUZMSUQINPPACV-SECBINFHSA-N 1 1 314.317 -1.091 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC000972473583 662419604 /nfs/dbraw/zinc/41/96/04/662419604.db2.gz VSPVCENOPZZBEV-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888983596 662419843 /nfs/dbraw/zinc/41/98/43/662419843.db2.gz IURFPSDOHWOQQX-UHFFFAOYSA-N 1 1 321.447 -1.912 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)C1 ZINC001022955150 662419905 /nfs/dbraw/zinc/41/99/05/662419905.db2.gz YDNFUHGIOXVNOQ-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1)c1nnnn1C ZINC001022955687 662419912 /nfs/dbraw/zinc/41/99/12/662419912.db2.gz DUWJMPYPIJGQTI-XHNCKOQMSA-N 1 1 305.346 -1.131 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001022951796 662420236 /nfs/dbraw/zinc/42/02/36/662420236.db2.gz HPYZGRCGWAFBAX-MXWKQRLJSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022955744 662420257 /nfs/dbraw/zinc/42/02/57/662420257.db2.gz GXVWKZHCXGOTFN-DTORHVGOSA-N 1 1 321.341 -1.864 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001022951795 662420446 /nfs/dbraw/zinc/42/04/46/662420446.db2.gz HPYZGRCGWAFBAX-GARJFASQSA-N 1 1 321.385 -1.185 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001011239719 662420540 /nfs/dbraw/zinc/42/05/40/662420540.db2.gz CYRUIWALYINLOW-QWRGUYRKSA-N 1 1 310.354 -1.994 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985345 662422023 /nfs/dbraw/zinc/42/20/23/662422023.db2.gz UOJZEHHZJUDHAU-UHFFFAOYSA-N 1 1 307.420 -2.254 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)cn1 ZINC001023022718 662424127 /nfs/dbraw/zinc/42/41/27/662424127.db2.gz CRWXACDDZAXAAA-RAIGVLPGSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)cn1 ZINC001023022717 662424701 /nfs/dbraw/zinc/42/47/01/662424701.db2.gz CRWXACDDZAXAAA-CYZMBNFOSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1 ZINC001023040718 662424901 /nfs/dbraw/zinc/42/49/01/662424901.db2.gz JXPJICACTRUFQU-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1 ZINC001023040718 662424902 /nfs/dbraw/zinc/42/49/02/662424902.db2.gz JXPJICACTRUFQU-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)NC1=O ZINC000972504736 662425689 /nfs/dbraw/zinc/42/56/89/662425689.db2.gz QGHZUTNFIKBVDL-FZMZJTMJSA-N 1 1 312.370 -1.694 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)NC1=O ZINC000972504736 662425691 /nfs/dbraw/zinc/42/56/91/662425691.db2.gz QGHZUTNFIKBVDL-FZMZJTMJSA-N 1 1 312.370 -1.694 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)NC1=O ZINC000972504737 662425859 /nfs/dbraw/zinc/42/58/59/662425859.db2.gz QGHZUTNFIKBVDL-RISCZKNCSA-N 1 1 312.370 -1.694 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)NC1=O ZINC000972504737 662425863 /nfs/dbraw/zinc/42/58/63/662425863.db2.gz QGHZUTNFIKBVDL-RISCZKNCSA-N 1 1 312.370 -1.694 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001023058969 662426494 /nfs/dbraw/zinc/42/64/94/662426494.db2.gz GTUKXGFTCLSNDH-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001023065364 662426844 /nfs/dbraw/zinc/42/68/44/662426844.db2.gz GXAZCUQUMDMHBK-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccccc2=O)C1 ZINC001023072360 662427546 /nfs/dbraw/zinc/42/75/46/662427546.db2.gz LGFYHBSIYZMKSO-PHIMTYICSA-N 1 1 317.353 -1.191 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1=O ZINC000972507337 662427638 /nfs/dbraw/zinc/42/76/38/662427638.db2.gz YNLXXXXRARASOV-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1=O ZINC000972507337 662427640 /nfs/dbraw/zinc/42/76/40/662427640.db2.gz YNLXXXXRARASOV-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507395 662427821 /nfs/dbraw/zinc/42/78/21/662427821.db2.gz ZZKRVHGTIVNCPG-CYBMUJFWSA-N 1 1 310.358 -1.227 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507395 662427823 /nfs/dbraw/zinc/42/78/23/662427823.db2.gz ZZKRVHGTIVNCPG-CYBMUJFWSA-N 1 1 310.358 -1.227 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1=O ZINC000972507235 662428040 /nfs/dbraw/zinc/42/80/40/662428040.db2.gz YNLXXXXRARASOV-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1=O ZINC000972507235 662428041 /nfs/dbraw/zinc/42/80/41/662428041.db2.gz YNLXXXXRARASOV-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001023084311 662428841 /nfs/dbraw/zinc/42/88/41/662428841.db2.gz NBQVATXZRCGRIZ-MXWKQRLJSA-N 1 1 308.386 -1.203 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001023084311 662428844 /nfs/dbraw/zinc/42/88/44/662428844.db2.gz NBQVATXZRCGRIZ-MXWKQRLJSA-N 1 1 308.386 -1.203 20 0 DAADMO O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000091673346 662428894 /nfs/dbraw/zinc/42/88/94/662428894.db2.gz BADQYKHLYJPWOK-NWDGAFQWSA-N 1 1 304.416 -1.411 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023094349 662429197 /nfs/dbraw/zinc/42/91/97/662429197.db2.gz IQBFCVIHFPMAAH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023094349 662429201 /nfs/dbraw/zinc/42/92/01/662429201.db2.gz IQBFCVIHFPMAAH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001023094455 662429274 /nfs/dbraw/zinc/42/92/74/662429274.db2.gz LUKIDUAKDDVJKA-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001023092899 662429613 /nfs/dbraw/zinc/42/96/13/662429613.db2.gz JZNZGPGXHQNHIA-DTORHVGOSA-N 1 1 318.341 -1.312 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023102875 662429968 /nfs/dbraw/zinc/42/99/68/662429968.db2.gz FSMGXNPSRHXCCC-KHQFGBGNSA-N 1 1 315.355 -1.502 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001023108223 662430651 /nfs/dbraw/zinc/43/06/51/662430651.db2.gz PFAVXTWRBMBKKM-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023115130 662431726 /nfs/dbraw/zinc/43/17/26/662431726.db2.gz ACHFLJLETSUYEL-TUAOUCFPSA-N 1 1 323.401 -1.332 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001023118564 662431916 /nfs/dbraw/zinc/43/19/16/662431916.db2.gz GDRZUDGQKNCLLN-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936911277 662431957 /nfs/dbraw/zinc/43/19/57/662431957.db2.gz LUCKZOBVVFFQCW-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001023167152 662436335 /nfs/dbraw/zinc/43/63/35/662436335.db2.gz FERGUZXFOLLGAR-JHJVBQTASA-N 1 1 322.365 -1.084 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001023193344 662438307 /nfs/dbraw/zinc/43/83/07/662438307.db2.gz UNPHNDBNOQXOGZ-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1O ZINC001023193312 662438329 /nfs/dbraw/zinc/43/83/29/662438329.db2.gz SXYCBOIEIIDCNG-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526131 662438681 /nfs/dbraw/zinc/43/86/81/662438681.db2.gz BQJIDYORSSVKMZ-UWVGGRQHSA-N 1 1 318.399 -1.962 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526131 662438683 /nfs/dbraw/zinc/43/86/83/662438683.db2.gz BQJIDYORSSVKMZ-UWVGGRQHSA-N 1 1 318.399 -1.962 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023196649 662438772 /nfs/dbraw/zinc/43/87/72/662438772.db2.gz RFELVBVHZZCTKW-CKYFFXLPSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023196650 662438813 /nfs/dbraw/zinc/43/88/13/662438813.db2.gz RFELVBVHZZCTKW-HOSYDEDBSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001023193506 662438917 /nfs/dbraw/zinc/43/89/17/662438917.db2.gz XSLFFZAYNWIPGJ-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC000972526783 662439783 /nfs/dbraw/zinc/43/97/83/662439783.db2.gz LEZQJFBQMPNWIP-MNOVXSKESA-N 1 1 305.400 -1.455 20 0 DAADMO Cn1cc(CC[N@@H+]2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 ZINC000972527293 662440829 /nfs/dbraw/zinc/44/08/29/662440829.db2.gz SWVIQQKEECGCFU-OAHLLOKOSA-N 1 1 321.381 -1.249 20 0 DAADMO Cn1cc(CC[N@H+]2CCO[C@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 ZINC000972527293 662440831 /nfs/dbraw/zinc/44/08/31/662440831.db2.gz SWVIQQKEECGCFU-OAHLLOKOSA-N 1 1 321.381 -1.249 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O ZINC001023213076 662441375 /nfs/dbraw/zinc/44/13/75/662441375.db2.gz XTNRSIHJRSEEJF-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O ZINC001023216451 662441380 /nfs/dbraw/zinc/44/13/80/662441380.db2.gz HGDZLZMPFIFGMU-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001023212709 662441646 /nfs/dbraw/zinc/44/16/46/662441646.db2.gz NXWVNXYSSJJLLD-YUSALJHKSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O ZINC001023212475 662441714 /nfs/dbraw/zinc/44/17/14/662441714.db2.gz GEGMZDKECQLTPJ-IJLUTSLNSA-N 1 1 313.398 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O ZINC001023213077 662441834 /nfs/dbraw/zinc/44/18/34/662441834.db2.gz XTNRSIHJRSEEJF-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001023212557 662442065 /nfs/dbraw/zinc/44/20/65/662442065.db2.gz ICYOYSPQAVGTFN-GMTAPVOTSA-N 1 1 309.326 -1.535 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023216390 662442073 /nfs/dbraw/zinc/44/20/73/662442073.db2.gz GHFWFNKOEMGEIZ-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001023214641 662442922 /nfs/dbraw/zinc/44/29/22/662442922.db2.gz JOTKZTRFKIYYMU-IJLUTSLNSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535335 662443230 /nfs/dbraw/zinc/44/32/30/662443230.db2.gz ZXLBFMURTRPORC-OPASDULOSA-N 1 1 310.354 -1.500 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1 ZINC001023247474 662443613 /nfs/dbraw/zinc/44/36/13/662443613.db2.gz PUACCVAATWCEFB-MGPQQGTHSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC=CC3)C2)C1 ZINC001023247474 662443616 /nfs/dbraw/zinc/44/36/16/662443616.db2.gz PUACCVAATWCEFB-MGPQQGTHSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001023258576 662444234 /nfs/dbraw/zinc/44/42/34/662444234.db2.gz QNZVFZIRQBVFSO-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023279220 662444441 /nfs/dbraw/zinc/44/44/41/662444441.db2.gz OGBJWPXHMHAMGD-JHJVBQTASA-N 1 1 311.382 -1.029 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023279220 662444443 /nfs/dbraw/zinc/44/44/43/662444443.db2.gz OGBJWPXHMHAMGD-JHJVBQTASA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023281074 662444541 /nfs/dbraw/zinc/44/45/41/662444541.db2.gz CZTSTKGNYKKEBT-SVPGJAMESA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023281074 662444542 /nfs/dbraw/zinc/44/45/42/662444542.db2.gz CZTSTKGNYKKEBT-SVPGJAMESA-N 1 1 311.382 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2O)C1 ZINC001023278509 662444639 /nfs/dbraw/zinc/44/46/39/662444639.db2.gz BENBTRNNCNZGDG-JHJVBQTASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2O)C1 ZINC001023278509 662444641 /nfs/dbraw/zinc/44/46/41/662444641.db2.gz BENBTRNNCNZGDG-JHJVBQTASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)C1 ZINC001023278699 662444648 /nfs/dbraw/zinc/44/46/48/662444648.db2.gz FWELQPCPAQTVAI-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)C1 ZINC001023278699 662444651 /nfs/dbraw/zinc/44/46/51/662444651.db2.gz FWELQPCPAQTVAI-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)C1 ZINC001023283343 662444768 /nfs/dbraw/zinc/44/47/68/662444768.db2.gz PLXVUENAZTZZSP-IJLUTSLNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)C1 ZINC001023283343 662444770 /nfs/dbraw/zinc/44/47/70/662444770.db2.gz PLXVUENAZTZZSP-IJLUTSLNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023280915 662444828 /nfs/dbraw/zinc/44/48/28/662444828.db2.gz BHJFDYMFEKXOGZ-OPRDCNLKSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023280915 662444830 /nfs/dbraw/zinc/44/48/30/662444830.db2.gz BHJFDYMFEKXOGZ-OPRDCNLKSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2O)C1 ZINC001023278511 662444921 /nfs/dbraw/zinc/44/49/21/662444921.db2.gz BENBTRNNCNZGDG-UPJWGTAASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@H]2O)C1 ZINC001023278511 662444923 /nfs/dbraw/zinc/44/49/23/662444923.db2.gz BENBTRNNCNZGDG-UPJWGTAASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023281900 662445554 /nfs/dbraw/zinc/44/55/54/662445554.db2.gz QITOPKHFSREYEJ-IJLUTSLNSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023281900 662445557 /nfs/dbraw/zinc/44/55/57/662445557.db2.gz QITOPKHFSREYEJ-IJLUTSLNSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)[C@@H]1CCNC1=O ZINC000972542137 662445573 /nfs/dbraw/zinc/44/55/73/662445573.db2.gz VZYHMLBHQLUHSX-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949743067 662445645 /nfs/dbraw/zinc/44/56/45/662445645.db2.gz GQFRIMHSFDVYQK-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949743067 662445646 /nfs/dbraw/zinc/44/56/46/662445646.db2.gz GQFRIMHSFDVYQK-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023282553 662445648 /nfs/dbraw/zinc/44/56/48/662445648.db2.gz FFRUOKUSGNDKJW-CKYFFXLPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@H]2O)C1 ZINC001023282553 662445649 /nfs/dbraw/zinc/44/56/49/662445649.db2.gz FFRUOKUSGNDKJW-CKYFFXLPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972553937 662446300 /nfs/dbraw/zinc/44/63/00/662446300.db2.gz FISARJJTTHFQDU-LLVKDONJSA-N 1 1 310.354 -1.548 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)c1 ZINC001023398148 662446953 /nfs/dbraw/zinc/44/69/53/662446953.db2.gz FKVZVBVISKEDHS-RAIGVLPGSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972560037 662446998 /nfs/dbraw/zinc/44/69/98/662446998.db2.gz OODAPPHUDDRQMV-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CCn1nc(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)ccc1=O ZINC000972566976 662447922 /nfs/dbraw/zinc/44/79/22/662447922.db2.gz AMMXOMHWUODSIU-JTQLQIEISA-N 1 1 307.354 -1.105 20 0 DAADMO CCn1nc(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)ccc1=O ZINC000972566976 662447925 /nfs/dbraw/zinc/44/79/25/662447925.db2.gz AMMXOMHWUODSIU-JTQLQIEISA-N 1 1 307.354 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001023424110 662448003 /nfs/dbraw/zinc/44/80/03/662448003.db2.gz ODYGQYLQPQYBBN-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000972574027 662449436 /nfs/dbraw/zinc/44/94/36/662449436.db2.gz WEILNLGFSMBUMG-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001023540217 662451013 /nfs/dbraw/zinc/45/10/13/662451013.db2.gz DSERZHQXFYNKPW-ZJUUUORDSA-N 1 1 307.358 -1.460 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001023541819 662451475 /nfs/dbraw/zinc/45/14/75/662451475.db2.gz RXDTUERZCBQFKD-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540755 662451614 /nfs/dbraw/zinc/45/16/14/662451614.db2.gz JKGNOPXKKPBQFR-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540758 662451637 /nfs/dbraw/zinc/45/16/37/662451637.db2.gz JKGNOPXKKPBQFR-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001023564426 662452848 /nfs/dbraw/zinc/45/28/48/662452848.db2.gz NDUUXKHJNROMPP-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566848 662452972 /nfs/dbraw/zinc/45/29/72/662452972.db2.gz RXNJYWUIVAQRDO-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566127 662453351 /nfs/dbraw/zinc/45/33/51/662453351.db2.gz JLVDXFWPCYTUJX-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566127 662453352 /nfs/dbraw/zinc/45/33/52/662453352.db2.gz JLVDXFWPCYTUJX-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972597248 662453375 /nfs/dbraw/zinc/45/33/75/662453375.db2.gz UMWWBXZLJCBGNW-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972597248 662453377 /nfs/dbraw/zinc/45/33/77/662453377.db2.gz UMWWBXZLJCBGNW-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001023592927 662454466 /nfs/dbraw/zinc/45/44/66/662454466.db2.gz VKROUEZUJGHCSJ-GMTAPVOTSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001023592928 662454518 /nfs/dbraw/zinc/45/45/18/662454518.db2.gz VKROUEZUJGHCSJ-OUAUKWLOSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001023597572 662454640 /nfs/dbraw/zinc/45/46/40/662454640.db2.gz GOWRQNCDUFRBOG-HBNTYKKESA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCCNC1=O ZINC000972603311 662455017 /nfs/dbraw/zinc/45/50/17/662455017.db2.gz AKDGVEJQHKLWKC-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@@H]1CCNC1=O ZINC000972606560 662455380 /nfs/dbraw/zinc/45/53/80/662455380.db2.gz LCXGXAWBBZAFMC-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000935214270 662455455 /nfs/dbraw/zinc/45/54/55/662455455.db2.gz QFAXWWJNUHALCE-GARJFASQSA-N 1 1 309.374 -1.271 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972609907 662455549 /nfs/dbraw/zinc/45/55/49/662455549.db2.gz FTJVXLSJTSOCLD-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000935214271 662455720 /nfs/dbraw/zinc/45/57/20/662455720.db2.gz QFAXWWJNUHALCE-GMTAPVOTSA-N 1 1 309.374 -1.271 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023628198 662455729 /nfs/dbraw/zinc/45/57/29/662455729.db2.gz AZAOUOQKFRDVGH-MXWKQRLJSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023628198 662455730 /nfs/dbraw/zinc/45/57/30/662455730.db2.gz AZAOUOQKFRDVGH-MXWKQRLJSA-N 1 1 323.353 -1.958 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000935214272 662455765 /nfs/dbraw/zinc/45/57/65/662455765.db2.gz QFAXWWJNUHALCE-HBNTYKKESA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000935214275 662455776 /nfs/dbraw/zinc/45/57/76/662455776.db2.gz QFAXWWJNUHALCE-VWYCJHECSA-N 1 1 309.374 -1.271 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001023626288 662455914 /nfs/dbraw/zinc/45/59/14/662455914.db2.gz YIJSOEIZIWLQKY-NSHDSACASA-N 1 1 324.381 -1.482 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023644574 662456759 /nfs/dbraw/zinc/45/67/59/662456759.db2.gz NOWKCSWMLSADBC-UWVGGRQHSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023754095 662458168 /nfs/dbraw/zinc/45/81/68/662458168.db2.gz UQWRUHWHFKTAON-MNOVXSKESA-N 1 1 305.400 -1.501 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001023701917 662457632 /nfs/dbraw/zinc/45/76/32/662457632.db2.gz XYZADDGSLKWKQG-SNVBAGLBSA-N 1 1 320.353 -1.148 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001023742487 662457816 /nfs/dbraw/zinc/45/78/16/662457816.db2.gz IJDYKNABSMIJLC-SECBINFHSA-N 1 1 323.353 -1.587 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)ccc1=O ZINC000972663673 662457887 /nfs/dbraw/zinc/45/78/87/662457887.db2.gz AKNJOZYGRWOIEE-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)ccc1=O ZINC000972663673 662457891 /nfs/dbraw/zinc/45/78/91/662457891.db2.gz AKNJOZYGRWOIEE-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1nc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)ccc1=O ZINC000972663674 662457973 /nfs/dbraw/zinc/45/79/73/662457973.db2.gz AKNJOZYGRWOIEE-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1nc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)ccc1=O ZINC000972663674 662457975 /nfs/dbraw/zinc/45/79/75/662457975.db2.gz AKNJOZYGRWOIEE-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001023736922 662457989 /nfs/dbraw/zinc/45/79/89/662457989.db2.gz JYMUIHHTXIAEEH-SNVBAGLBSA-N 1 1 307.354 -1.293 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023753569 662458198 /nfs/dbraw/zinc/45/81/98/662458198.db2.gz IZOCJBUYAGJXMV-NWDGAFQWSA-N 1 1 319.427 -1.111 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)nn1 ZINC001023763032 662458229 /nfs/dbraw/zinc/45/82/29/662458229.db2.gz ABCLFGZNEVLPQZ-JTQLQIEISA-N 1 1 310.358 -1.803 20 0 DAADMO CNC(=O)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972672781 662458636 /nfs/dbraw/zinc/45/86/36/662458636.db2.gz AHLONDUQJYNCQS-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665960 662458785 /nfs/dbraw/zinc/45/87/85/662458785.db2.gz BVFXCZPAPPUYPJ-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665960 662458786 /nfs/dbraw/zinc/45/87/86/662458786.db2.gz BVFXCZPAPPUYPJ-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO COCC[N@H+]1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763215 662458794 /nfs/dbraw/zinc/45/87/94/662458794.db2.gz FLVZEHJTUSZGDJ-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023754097 662458811 /nfs/dbraw/zinc/45/88/11/662458811.db2.gz UQWRUHWHFKTAON-WDEREUQCSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763442 662458818 /nfs/dbraw/zinc/45/88/18/662458818.db2.gz NFSVKSDCOKRJKZ-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2O)C1 ZINC001023782219 662459055 /nfs/dbraw/zinc/45/90/55/662459055.db2.gz HRKISYKUXGFUGD-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2O)C1 ZINC001023782457 662459095 /nfs/dbraw/zinc/45/90/95/662459095.db2.gz OPFMEFVDDRRGON-MGPQQGTHSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(CC(N)=O)CCO3)C1 ZINC000972673641 662459098 /nfs/dbraw/zinc/45/90/98/662459098.db2.gz KOKNBYJZNIURTF-SWLSCSKDSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001023782328 662459129 /nfs/dbraw/zinc/45/91/29/662459129.db2.gz KPJDDJGJQWWZBD-YNEHKIRRSA-N 1 1 321.381 -1.477 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001023782572 662459150 /nfs/dbraw/zinc/45/91/50/662459150.db2.gz SZPWUNWTVCQBNS-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001023782572 662459151 /nfs/dbraw/zinc/45/91/51/662459151.db2.gz SZPWUNWTVCQBNS-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001023782572 662459152 /nfs/dbraw/zinc/45/91/52/662459152.db2.gz SZPWUNWTVCQBNS-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1c[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023782701 662459160 /nfs/dbraw/zinc/45/91/60/662459160.db2.gz XPCQTSOGKFAHNV-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023782673 662459181 /nfs/dbraw/zinc/45/91/81/662459181.db2.gz WOVSLDGHSDKEFL-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023782016 662459265 /nfs/dbraw/zinc/45/92/65/662459265.db2.gz AQVIWTUBCDFCTM-GMTAPVOTSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(CC(N)=O)CCO3)C1 ZINC000972673639 662459429 /nfs/dbraw/zinc/45/94/29/662459429.db2.gz KOKNBYJZNIURTF-IUODEOHRSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001023783794 662459855 /nfs/dbraw/zinc/45/98/55/662459855.db2.gz NSPYXAKDZGSMBJ-JMJZKYOTSA-N 1 1 309.326 -1.677 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2O)C1 ZINC001023783100 662460237 /nfs/dbraw/zinc/46/02/37/662460237.db2.gz DATIGQOPFSFBEA-GMTAPVOTSA-N 1 1 324.381 -2.109 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000972690537 662460462 /nfs/dbraw/zinc/46/04/62/662460462.db2.gz KOTDOTTVQZXLIH-GHMZBOCLSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000972690537 662460464 /nfs/dbraw/zinc/46/04/64/662460464.db2.gz KOTDOTTVQZXLIH-GHMZBOCLSA-N 1 1 322.369 -1.129 20 0 DAADMO Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023789204 662460621 /nfs/dbraw/zinc/46/06/21/662460621.db2.gz TWYDJSQHMSALOI-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972692127 662460705 /nfs/dbraw/zinc/46/07/05/662460705.db2.gz AGUIMUDSKGGBAM-LLVKDONJSA-N 1 1 321.385 -1.095 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000972692127 662460713 /nfs/dbraw/zinc/46/07/13/662460713.db2.gz AGUIMUDSKGGBAM-LLVKDONJSA-N 1 1 321.385 -1.095 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2O)C1 ZINC001023789329 662460954 /nfs/dbraw/zinc/46/09/54/662460954.db2.gz WMJATKDAWNHPOG-YNEHKIRRSA-N 1 1 322.365 -1.143 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)n(C)c1=O ZINC000972696630 662461129 /nfs/dbraw/zinc/46/11/29/662461129.db2.gz XLNZTNCAQSQCNW-HNNXBMFYSA-N 1 1 324.381 -1.367 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)n(C)c1=O ZINC000972696630 662461131 /nfs/dbraw/zinc/46/11/31/662461131.db2.gz XLNZTNCAQSQCNW-HNNXBMFYSA-N 1 1 324.381 -1.367 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023799952 662461161 /nfs/dbraw/zinc/46/11/61/662461161.db2.gz MMRGEDYGWUHVAA-YUSALJHKSA-N 1 1 310.354 -1.086 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC001023855196 662463130 /nfs/dbraw/zinc/46/31/30/662463130.db2.gz MPSOOPMJOFTMRN-GMTAPVOTSA-N 1 1 323.357 -2.687 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001023891309 662463820 /nfs/dbraw/zinc/46/38/20/662463820.db2.gz OVPKEMNDWKBXLV-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 ZINC001023987889 662465982 /nfs/dbraw/zinc/46/59/82/662465982.db2.gz ZABYPOFFHXHHKO-JTQLQIEISA-N 1 1 320.361 -1.775 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023998626 662466114 /nfs/dbraw/zinc/46/61/14/662466114.db2.gz MHIQSKREDHJOAQ-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023998626 662466116 /nfs/dbraw/zinc/46/61/16/662466116.db2.gz MHIQSKREDHJOAQ-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001024050769 662466867 /nfs/dbraw/zinc/46/68/67/662466867.db2.gz QQUDDVOTRMAYSW-VIFPVBQESA-N 1 1 305.346 -1.030 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794945 662467793 /nfs/dbraw/zinc/46/77/93/662467793.db2.gz VNCCZTJOYDBNAI-UWVGGRQHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794945 662467796 /nfs/dbraw/zinc/46/77/96/662467796.db2.gz VNCCZTJOYDBNAI-UWVGGRQHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794238 662467873 /nfs/dbraw/zinc/46/78/73/662467873.db2.gz NQIKJLCRLHRSCB-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794238 662467878 /nfs/dbraw/zinc/46/78/78/662467878.db2.gz NQIKJLCRLHRSCB-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799503 662468047 /nfs/dbraw/zinc/46/80/47/662468047.db2.gz DOQGLZXOMGIWLO-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799503 662468053 /nfs/dbraw/zinc/46/80/53/662468053.db2.gz DOQGLZXOMGIWLO-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)n1 ZINC001024092644 662468357 /nfs/dbraw/zinc/46/83/57/662468357.db2.gz FYLASLCCSDOXIN-MNOVXSKESA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800011 662468589 /nfs/dbraw/zinc/46/85/89/662468589.db2.gz QBUPDZDBZWUTTC-VHSXEESVSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800011 662468593 /nfs/dbraw/zinc/46/85/93/662468593.db2.gz QBUPDZDBZWUTTC-VHSXEESVSA-N 1 1 309.374 -1.366 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001024125190 662469434 /nfs/dbraw/zinc/46/94/34/662469434.db2.gz PMQHMHNXSQVCRX-SECBINFHSA-N 1 1 310.358 -1.051 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN(C(=O)C(N)=O)C2)n1 ZINC001024125191 662469799 /nfs/dbraw/zinc/46/97/99/662469799.db2.gz PMQHMHNXSQVCRX-VIFPVBQESA-N 1 1 310.358 -1.051 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001024259234 662471089 /nfs/dbraw/zinc/47/10/89/662471089.db2.gz YFCRWUAFFPRMMX-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)O1 ZINC001024387043 662472910 /nfs/dbraw/zinc/47/29/10/662472910.db2.gz HNEGQVVIXTYFQF-ZYUZMQFOSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)O1 ZINC001024387043 662472912 /nfs/dbraw/zinc/47/29/12/662472912.db2.gz HNEGQVVIXTYFQF-ZYUZMQFOSA-N 1 1 314.342 -3.121 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000935400433 662474255 /nfs/dbraw/zinc/47/42/55/662474255.db2.gz SFOYXZPGFDLZQT-VXGBXAGGSA-N 1 1 305.400 -1.359 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024469831 662474263 /nfs/dbraw/zinc/47/42/63/662474263.db2.gz CQHRQMLJWQFIGT-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024499647 662475001 /nfs/dbraw/zinc/47/50/01/662475001.db2.gz VIXIUBGPOPBQOI-OUAUKWLOSA-N 1 1 312.370 -1.966 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@H+]1CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001024628945 662479964 /nfs/dbraw/zinc/47/99/64/662479964.db2.gz WMKXGMNYFVOOKJ-RYUDHWBXSA-N 1 1 321.385 -1.070 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001024626325 662480196 /nfs/dbraw/zinc/48/01/96/662480196.db2.gz CJAYWXNUDGSAOE-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001024626325 662480200 /nfs/dbraw/zinc/48/02/00/662480200.db2.gz CJAYWXNUDGSAOE-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024629170 662480449 /nfs/dbraw/zinc/48/04/49/662480449.db2.gz YRISWMOTTQPDQP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001024629170 662480451 /nfs/dbraw/zinc/48/04/51/662480451.db2.gz YRISWMOTTQPDQP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024700178 662481495 /nfs/dbraw/zinc/48/14/95/662481495.db2.gz GRWWKMSEMOOGIB-GHMZBOCLSA-N 1 1 319.325 -1.689 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001024699204 662481518 /nfs/dbraw/zinc/48/15/18/662481518.db2.gz KXMORVONIMHXNN-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001024702884 662482051 /nfs/dbraw/zinc/48/20/51/662482051.db2.gz JJDJWBCTKDJOKT-GHMZBOCLSA-N 1 1 320.309 -1.424 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950900 662483211 /nfs/dbraw/zinc/48/32/11/662483211.db2.gz HMMJKYRZQNCAAP-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001024774244 662483386 /nfs/dbraw/zinc/48/33/86/662483386.db2.gz JONRTIXCQOQQMV-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001024758905 662483650 /nfs/dbraw/zinc/48/36/50/662483650.db2.gz AFOYOOLKNZYLMU-SNVBAGLBSA-N 1 1 320.353 -1.006 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972951505 662483696 /nfs/dbraw/zinc/48/36/96/662483696.db2.gz YYMADOBJSGMYNI-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951128 662483875 /nfs/dbraw/zinc/48/38/75/662483875.db2.gz ODLNENADUYWJNC-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001024777920 662484432 /nfs/dbraw/zinc/48/44/32/662484432.db2.gz MKUGCLDMXTTXOO-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001024795266 662484644 /nfs/dbraw/zinc/48/46/44/662484644.db2.gz DFVJKQZGJSMMEI-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001024795266 662484647 /nfs/dbraw/zinc/48/46/47/662484647.db2.gz DFVJKQZGJSMMEI-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCC(NC(=O)C(N)=O)CC2)no1 ZINC000947307711 662484983 /nfs/dbraw/zinc/48/49/83/662484983.db2.gz NIJADWQZWMBEQK-UHFFFAOYSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024848138 662485897 /nfs/dbraw/zinc/48/58/97/662485897.db2.gz WJXJBDQMNFIMQL-CKYFFXLPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024848138 662485898 /nfs/dbraw/zinc/48/58/98/662485898.db2.gz WJXJBDQMNFIMQL-CKYFFXLPSA-N 1 1 324.337 -1.693 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001024949858 662488076 /nfs/dbraw/zinc/48/80/76/662488076.db2.gz UXHAWZLMBYTKRL-NXEZZACHSA-N 1 1 323.357 -1.211 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024972282 662488367 /nfs/dbraw/zinc/48/83/67/662488367.db2.gz USAMVHGCYBBIMA-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936146494 662493201 /nfs/dbraw/zinc/49/32/01/662493201.db2.gz AEXICBHGCSEGIE-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001025061427 662493707 /nfs/dbraw/zinc/49/37/07/662493707.db2.gz YOJBILBXRAQOOT-GHMZBOCLSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001025060792 662493781 /nfs/dbraw/zinc/49/37/81/662493781.db2.gz NOPKLXRGZBLRGO-NXEZZACHSA-N 1 1 322.373 -1.638 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001011578382 662494613 /nfs/dbraw/zinc/49/46/13/662494613.db2.gz UVKBULQQJMPXGD-GFCCVEGCSA-N 1 1 319.365 -1.002 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1)C1CCC1 ZINC001025111860 662498909 /nfs/dbraw/zinc/49/89/09/662498909.db2.gz MWVSCEMLGFLQNM-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)C1CCC1 ZINC001025111860 662498911 /nfs/dbraw/zinc/49/89/11/662498911.db2.gz MWVSCEMLGFLQNM-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)C1CCC1 ZINC001025111860 662498914 /nfs/dbraw/zinc/49/89/14/662498914.db2.gz MWVSCEMLGFLQNM-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001025111860 662498916 /nfs/dbraw/zinc/49/89/16/662498916.db2.gz MWVSCEMLGFLQNM-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001025111860 662498921 /nfs/dbraw/zinc/49/89/21/662498921.db2.gz MWVSCEMLGFLQNM-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)CC[N@H+]1C ZINC001025112036 662499104 /nfs/dbraw/zinc/49/91/04/662499104.db2.gz QIDYIJZOWCQPKK-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)CC[N@@H+]1C ZINC001025112036 662499106 /nfs/dbraw/zinc/49/91/06/662499106.db2.gz QIDYIJZOWCQPKK-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)CC[N@H+]1C ZINC001025112036 662499110 /nfs/dbraw/zinc/49/91/10/662499110.db2.gz QIDYIJZOWCQPKK-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC[N@@H+]1C ZINC001025112036 662499112 /nfs/dbraw/zinc/49/91/12/662499112.db2.gz QIDYIJZOWCQPKK-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC[N@H+]1C ZINC001025112036 662499115 /nfs/dbraw/zinc/49/91/15/662499115.db2.gz QIDYIJZOWCQPKK-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007351615 662499341 /nfs/dbraw/zinc/49/93/41/662499341.db2.gz WFBKVMJOGDWUIS-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001007346621 662499748 /nfs/dbraw/zinc/49/97/48/662499748.db2.gz WXJBTJKPCVSICY-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001007346621 662499749 /nfs/dbraw/zinc/49/97/49/662499749.db2.gz WXJBTJKPCVSICY-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007347780 662499781 /nfs/dbraw/zinc/49/97/81/662499781.db2.gz BIMFXGKZCRCFJR-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007347780 662499785 /nfs/dbraw/zinc/49/97/85/662499785.db2.gz BIMFXGKZCRCFJR-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000973101912 662502517 /nfs/dbraw/zinc/50/25/17/662502517.db2.gz DFBXQWYMYLKJEY-FXPVBKGRSA-N 1 1 305.338 -1.006 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973127987 662503208 /nfs/dbraw/zinc/50/32/08/662503208.db2.gz HPJSOWLSHBVPAA-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973127987 662503211 /nfs/dbraw/zinc/50/32/11/662503211.db2.gz HPJSOWLSHBVPAA-NHCYSSNCSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973126775 662503310 /nfs/dbraw/zinc/50/33/10/662503310.db2.gz BQAOSDBTVBIVBE-BJDJZHNGSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973126775 662503313 /nfs/dbraw/zinc/50/33/13/662503313.db2.gz BQAOSDBTVBIVBE-BJDJZHNGSA-N 1 1 324.381 -1.641 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973126366 662503351 /nfs/dbraw/zinc/50/33/51/662503351.db2.gz NIIKFQQXHXNXJF-GMTAPVOTSA-N 1 1 322.369 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973126366 662503353 /nfs/dbraw/zinc/50/33/53/662503353.db2.gz NIIKFQQXHXNXJF-GMTAPVOTSA-N 1 1 322.369 -1.179 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973126564 662503524 /nfs/dbraw/zinc/50/35/24/662503524.db2.gz OWNRFLOCTBSAHC-FIQHERPVSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973126564 662503526 /nfs/dbraw/zinc/50/35/26/662503526.db2.gz OWNRFLOCTBSAHC-FIQHERPVSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001025220698 662503776 /nfs/dbraw/zinc/50/37/76/662503776.db2.gz AWJWDQKAGWDEMH-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025236120 662504553 /nfs/dbraw/zinc/50/45/53/662504553.db2.gz NVEHMSSGOAEQNH-OUAUKWLOSA-N 1 1 309.326 -1.535 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025238531 662505398 /nfs/dbraw/zinc/50/53/98/662505398.db2.gz YOGBAEPXBJWYOF-YUSALJHKSA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000973200883 662505784 /nfs/dbraw/zinc/50/57/84/662505784.db2.gz MKFDDCMRKGFKMO-GMTAPVOTSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025244582 662506014 /nfs/dbraw/zinc/50/60/14/662506014.db2.gz HQADPBZSONLQNA-YUSALJHKSA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccnn3)C2)C1 ZINC001025272311 662508617 /nfs/dbraw/zinc/50/86/17/662508617.db2.gz USYWAJSSVDKOGL-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001025301298 662509206 /nfs/dbraw/zinc/50/92/06/662509206.db2.gz ZASRLDXNMYUERS-GRYCIOLGSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001025301300 662509455 /nfs/dbraw/zinc/50/94/55/662509455.db2.gz ZASRLDXNMYUERS-IJLUTSLNSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973291743 662509723 /nfs/dbraw/zinc/50/97/23/662509723.db2.gz BQYRLLJSHINTHX-XWLWVQCSSA-N 1 1 309.370 -1.617 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973296138 662509930 /nfs/dbraw/zinc/50/99/30/662509930.db2.gz SRXGBUAVZTXWPB-GMTAPVOTSA-N 1 1 320.353 -1.364 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973296137 662509964 /nfs/dbraw/zinc/50/99/64/662509964.db2.gz SRXGBUAVZTXWPB-DCAQKATOSA-N 1 1 320.353 -1.364 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000973295514 662509979 /nfs/dbraw/zinc/50/99/79/662509979.db2.gz NFPKLROXSFUNAF-DDHJBXDOSA-N 1 1 323.397 -1.275 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973294034 662510075 /nfs/dbraw/zinc/51/00/75/662510075.db2.gz WWGWUXWHHZYERQ-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973289174 662510111 /nfs/dbraw/zinc/51/01/11/662510111.db2.gz HIFAUPCVFAKPSI-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973306234 662510282 /nfs/dbraw/zinc/51/02/82/662510282.db2.gz INFGJAXDJQRPKA-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307145 662510371 /nfs/dbraw/zinc/51/03/71/662510371.db2.gz PTRNGTYISTUCQF-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307693 662510622 /nfs/dbraw/zinc/51/06/22/662510622.db2.gz FCBNMQQHPBQADI-XYPYZODXSA-N 1 1 318.341 -1.358 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000973354746 662511479 /nfs/dbraw/zinc/51/14/79/662511479.db2.gz DWDDFEWLWQXCPU-NAKRPEOUSA-N 1 1 310.354 -1.902 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973432515 662513691 /nfs/dbraw/zinc/51/36/91/662513691.db2.gz FOVUVXHRTPVHGU-KKOKHZNYSA-N 1 1 323.397 -1.085 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025383632 662516948 /nfs/dbraw/zinc/51/69/48/662516948.db2.gz QTCZOFMIELRIDK-GMTAPVOTSA-N 1 1 312.370 -1.968 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025386491 662517065 /nfs/dbraw/zinc/51/70/65/662517065.db2.gz CQHJAEMYXFMVNU-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001025387353 662517458 /nfs/dbraw/zinc/51/74/58/662517458.db2.gz PBBFBKFKLJRFGE-LNFKQOIKSA-N 1 1 312.370 -2.110 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025388088 662517748 /nfs/dbraw/zinc/51/77/48/662517748.db2.gz ZXCIYSMRPNDQTI-OUAUKWLOSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001025393167 662518234 /nfs/dbraw/zinc/51/82/34/662518234.db2.gz WDRKPMKDQCDLEI-UKKRHICBSA-N 1 1 312.370 -2.110 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000973486582 662518354 /nfs/dbraw/zinc/51/83/54/662518354.db2.gz YFSNZFQJLZBGTC-PXYQLOIISA-N 1 1 322.365 -1.902 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973531730 662519719 /nfs/dbraw/zinc/51/97/19/662519719.db2.gz KREJCHNALZFWPI-BJDJZHNGSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973532152 662520221 /nfs/dbraw/zinc/52/02/21/662520221.db2.gz YUGPAWHELFDJQM-KKOKHZNYSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001019047646 662520241 /nfs/dbraw/zinc/52/02/41/662520241.db2.gz IRBWGGLDSSOSII-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019207225 662520455 /nfs/dbraw/zinc/52/04/55/662520455.db2.gz NAFZNSYRTHSHMY-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025560656 662523281 /nfs/dbraw/zinc/52/32/81/662523281.db2.gz GFQOATORTDJUKM-ZJUUUORDSA-N 1 1 324.381 -1.259 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC001007709548 662524514 /nfs/dbraw/zinc/52/45/14/662524514.db2.gz CWLNVAMMWNHFPK-IAQYHMDHSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC001007709567 662524726 /nfs/dbraw/zinc/52/47/26/662524726.db2.gz CWLNVAMMWNHFPK-XHDPSFHLSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001025685628 662525455 /nfs/dbraw/zinc/52/54/55/662525455.db2.gz PKAKSEVZGJRDIF-YUSALJHKSA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001025683588 662525651 /nfs/dbraw/zinc/52/56/51/662525651.db2.gz PELNTUKJUHTWLJ-MVWJERBFSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001025683588 662525655 /nfs/dbraw/zinc/52/56/55/662525655.db2.gz PELNTUKJUHTWLJ-MVWJERBFSA-N 1 1 322.369 -1.410 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686060 662525705 /nfs/dbraw/zinc/52/57/05/662525705.db2.gz HTKZBCVAGRUHPH-VGDATSSVSA-N 1 1 323.349 -1.747 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686079 662525712 /nfs/dbraw/zinc/52/57/12/662525712.db2.gz JYWJYCICWOHFND-FHUSYTEZSA-N 1 1 309.366 -1.273 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCO2)C1=O ZINC001025687974 662525946 /nfs/dbraw/zinc/52/59/46/662525946.db2.gz UGCIQRAOOCUIQH-FHUSYTEZSA-N 1 1 309.366 -1.321 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708442 662526555 /nfs/dbraw/zinc/52/65/55/662526555.db2.gz UHTJGBJGGGSQPA-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708442 662526557 /nfs/dbraw/zinc/52/65/57/662526557.db2.gz UHTJGBJGGGSQPA-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719316 662527313 /nfs/dbraw/zinc/52/73/13/662527313.db2.gz HDMNZUUKWRDAEI-MLGHIDQZSA-N 1 1 308.382 -1.748 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001025719811 662527369 /nfs/dbraw/zinc/52/73/69/662527369.db2.gz DMCWSQJJFWTPMB-MEBFFEOJSA-N 1 1 322.409 -1.406 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025709149 662527522 /nfs/dbraw/zinc/52/75/22/662527522.db2.gz XODVNAUYMDZIAS-TUTUZKQUSA-N 1 1 306.366 -1.410 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719414 662527572 /nfs/dbraw/zinc/52/75/72/662527572.db2.gz UZLFHOUAYTZGGD-IEECTRCBSA-N 1 1 310.398 -1.502 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001025719809 662527683 /nfs/dbraw/zinc/52/76/83/662527683.db2.gz DMCWSQJJFWTPMB-BJJPWKGXSA-N 1 1 322.409 -1.406 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001025735221 662528862 /nfs/dbraw/zinc/52/88/62/662528862.db2.gz LYOJNSSPYMSNTF-IIEKFROSSA-N 1 1 306.366 -1.553 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCN2C)C1=O ZINC001025746774 662529419 /nfs/dbraw/zinc/52/94/19/662529419.db2.gz GPJKVUTXCBBAQK-MEBFFEOJSA-N 1 1 322.409 -1.406 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025746764 662529548 /nfs/dbraw/zinc/52/95/48/662529548.db2.gz DSKVQZFSLQNHBS-MLGHIDQZSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025746800 662529801 /nfs/dbraw/zinc/52/98/01/662529801.db2.gz MRQQBROCECORNQ-DGTMBMJNSA-N 1 1 324.425 -1.160 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025747429 662530732 /nfs/dbraw/zinc/53/07/32/662530732.db2.gz LUEXEFDUPLFYIR-FPYNETTCSA-N 1 1 308.382 -1.748 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025764372 662530900 /nfs/dbraw/zinc/53/09/00/662530900.db2.gz QQTFKAAMGWLTJH-LVEVGFFFSA-N 1 1 322.365 -1.238 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001025763959 662531103 /nfs/dbraw/zinc/53/11/03/662531103.db2.gz JPDPOCSUHOJYND-FBDQPXRJSA-N 1 1 310.354 -1.382 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025764000 662531165 /nfs/dbraw/zinc/53/11/65/662531165.db2.gz KXJKPUZXVSDOPK-XXFSISAASA-N 1 1 308.338 -1.628 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025763813 662531277 /nfs/dbraw/zinc/53/12/77/662531277.db2.gz ACDQEORRZQURPT-QGKZMRNZSA-N 1 1 308.338 -1.580 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025763795 662531430 /nfs/dbraw/zinc/53/14/30/662531430.db2.gz ACDQEORRZQURPT-HPENLJRUSA-N 1 1 308.338 -1.580 20 0 DAADMO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797897 662532503 /nfs/dbraw/zinc/53/25/03/662532503.db2.gz ZOAHDWQPYSGVOU-BIGJJFBESA-N 1 1 322.409 -1.358 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798647 662532751 /nfs/dbraw/zinc/53/27/51/662532751.db2.gz CBDSWKSRPJPBRT-JLDUMIBSSA-N 1 1 308.382 -1.619 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808640 662533314 /nfs/dbraw/zinc/53/33/14/662533314.db2.gz HUTLLCGQHJZWKR-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808640 662533319 /nfs/dbraw/zinc/53/33/19/662533319.db2.gz HUTLLCGQHJZWKR-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001025815365 662533551 /nfs/dbraw/zinc/53/35/51/662533551.db2.gz FEXOPANHDHVCRM-PREPNJAASA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001025811938 662533698 /nfs/dbraw/zinc/53/36/98/662533698.db2.gz UCUIYGNEWVSEGN-MOUCOTEISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001025811938 662533699 /nfs/dbraw/zinc/53/36/99/662533699.db2.gz UCUIYGNEWVSEGN-MOUCOTEISA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001025812544 662533702 /nfs/dbraw/zinc/53/37/02/662533702.db2.gz VXYLTPNHAFQTFH-HKLXJQGRSA-N 1 1 308.382 -1.307 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808579 662533933 /nfs/dbraw/zinc/53/39/33/662533933.db2.gz DKDORAMTRAEAPF-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814552 662534266 /nfs/dbraw/zinc/53/42/66/662534266.db2.gz JZFIRDZVQNSSCS-WTHWOGDNSA-N 1 1 309.366 -1.275 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCNC(=O)C1 ZINC001025818582 662534323 /nfs/dbraw/zinc/53/43/23/662534323.db2.gz RGUNTUQKOBKJNQ-GCCGGCASSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001025815755 662534532 /nfs/dbraw/zinc/53/45/32/662534532.db2.gz UTZRVQYCLDOXAU-ZTVLKNOQSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001025818985 662534607 /nfs/dbraw/zinc/53/46/07/662534607.db2.gz JGMUGISVRVAECM-BCLHGEQCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001025818985 662534608 /nfs/dbraw/zinc/53/46/08/662534608.db2.gz JGMUGISVRVAECM-BCLHGEQCSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816113 662534610 /nfs/dbraw/zinc/53/46/10/662534610.db2.gz FDXDMHKKOKPHEK-OQEOFVATSA-N 1 1 306.366 -1.410 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001025821261 662534624 /nfs/dbraw/zinc/53/46/24/662534624.db2.gz GEOFQIVROSHIHW-YFVNTRNASA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814189 662534771 /nfs/dbraw/zinc/53/47/71/662534771.db2.gz WWWKQYBYXDREER-XWIWCORWSA-N 1 1 309.326 -2.495 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814189 662534775 /nfs/dbraw/zinc/53/47/75/662534775.db2.gz WWWKQYBYXDREER-XWIWCORWSA-N 1 1 309.326 -2.495 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001025873072 662535145 /nfs/dbraw/zinc/53/51/45/662535145.db2.gz XKFRBJRCMFAXPZ-LVEVGFFFSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001025873072 662535150 /nfs/dbraw/zinc/53/51/50/662535150.db2.gz XKFRBJRCMFAXPZ-LVEVGFFFSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC001025879974 662535170 /nfs/dbraw/zinc/53/51/70/662535170.db2.gz FQVHPSIADUVNJE-YBRCUDMCSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC001025879974 662535175 /nfs/dbraw/zinc/53/51/75/662535175.db2.gz FQVHPSIADUVNJE-YBRCUDMCSA-N 1 1 308.382 -1.035 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001025847920 662535314 /nfs/dbraw/zinc/53/53/14/662535314.db2.gz BIMFFBLTCLIELN-YBRCUDMCSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001025847920 662535319 /nfs/dbraw/zinc/53/53/19/662535319.db2.gz BIMFFBLTCLIELN-YBRCUDMCSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020028858 662537070 /nfs/dbraw/zinc/53/70/70/662537070.db2.gz LMZUHUSIQSGFPU-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1)c1nnnn1C ZINC001019998695 662537303 /nfs/dbraw/zinc/53/73/03/662537303.db2.gz RKVKNICFLNTRMM-DBIOUOCHSA-N 1 1 310.358 -1.077 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020028859 662537372 /nfs/dbraw/zinc/53/73/72/662537372.db2.gz LMZUHUSIQSGFPU-SRVKXCTJSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001020086794 662537576 /nfs/dbraw/zinc/53/75/76/662537576.db2.gz YBSYRJVHYMQYPG-SRVKXCTJSA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1)c1nnnn1C ZINC001020199157 662537929 /nfs/dbraw/zinc/53/79/29/662537929.db2.gz IJXXACKFMCPWNC-GUBZILKMSA-N 1 1 305.346 -1.200 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001020091175 662538104 /nfs/dbraw/zinc/53/81/04/662538104.db2.gz HYOMFAXSPJUNEM-IWSPIJDZSA-N 1 1 321.345 -1.495 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)CC1 ZINC001025927839 662539245 /nfs/dbraw/zinc/53/92/45/662539245.db2.gz JGIBXFUCJYNLQG-YCGPCKTQSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025920014 662539352 /nfs/dbraw/zinc/53/93/52/662539352.db2.gz NEVALYBMPQKRCK-OYIZLPQKSA-N 1 1 323.393 -1.042 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025920014 662539354 /nfs/dbraw/zinc/53/93/54/662539354.db2.gz NEVALYBMPQKRCK-OYIZLPQKSA-N 1 1 323.393 -1.042 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)CC1 ZINC001025927835 662539396 /nfs/dbraw/zinc/53/93/96/662539396.db2.gz JGIBXFUCJYNLQG-BYNIDDHOSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939177 662539773 /nfs/dbraw/zinc/53/97/73/662539773.db2.gz AEHMSDQZUDOTON-DSPMHBFJSA-N 1 1 320.349 -2.026 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025938516 662539799 /nfs/dbraw/zinc/53/97/99/662539799.db2.gz ZUILMXDVPQKHLT-FHUSYTEZSA-N 1 1 318.381 -1.127 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025938516 662539801 /nfs/dbraw/zinc/53/98/01/662539801.db2.gz ZUILMXDVPQKHLT-FHUSYTEZSA-N 1 1 318.381 -1.127 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937281 662539887 /nfs/dbraw/zinc/53/98/87/662539887.db2.gz JYRZVSAIYAIKEC-MOWSAHLDSA-N 1 1 320.393 -1.177 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937281 662539889 /nfs/dbraw/zinc/53/98/89/662539889.db2.gz JYRZVSAIYAIKEC-MOWSAHLDSA-N 1 1 320.393 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC001025935078 662539934 /nfs/dbraw/zinc/53/99/34/662539934.db2.gz CTYJAIKLVGCIMU-TUYISWAISA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC001025935078 662539936 /nfs/dbraw/zinc/53/99/36/662539936.db2.gz CTYJAIKLVGCIMU-TUYISWAISA-N 1 1 308.382 -1.083 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025941446 662540229 /nfs/dbraw/zinc/54/02/29/662540229.db2.gz LLWNJVJRUBARSD-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)NC1=O ZINC001025943953 662540231 /nfs/dbraw/zinc/54/02/31/662540231.db2.gz TWNIUJNREHQZHI-ROHXPCBUSA-N 1 1 321.381 -1.665 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1=O ZINC001025958883 662540261 /nfs/dbraw/zinc/54/02/61/662540261.db2.gz KPVBTDUBAGBMPX-BNDIWNMDSA-N 1 1 320.393 -1.258 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001025941131 662540289 /nfs/dbraw/zinc/54/02/89/662540289.db2.gz RMYAWZLBMGDFFY-OBPIAQAESA-N 1 1 318.381 -1.164 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943938 662540319 /nfs/dbraw/zinc/54/03/19/662540319.db2.gz RXLYNDFYUDBNOL-GCHJQGSQSA-N 1 1 323.397 -1.467 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025941581 662540354 /nfs/dbraw/zinc/54/03/54/662540354.db2.gz AOHIHTNKLBLTJE-ZIQFBCGOSA-N 1 1 306.366 -1.600 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943581 662540393 /nfs/dbraw/zinc/54/03/93/662540393.db2.gz JGHPQOVDDQVFDK-NZFPMDFQSA-N 1 1 309.370 -1.809 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001025941605 662540423 /nfs/dbraw/zinc/54/04/23/662540423.db2.gz CSMVRPCKFROTND-XTAFZBPGSA-N 1 1 320.393 -1.164 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025939249 662540480 /nfs/dbraw/zinc/54/04/80/662540480.db2.gz GXQHVLKLVULBLS-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001025939548 662540491 /nfs/dbraw/zinc/54/04/91/662540491.db2.gz QALBDHYLYDNRMG-ROHXPCBUSA-N 1 1 321.381 -1.713 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1=O ZINC001025958947 662540512 /nfs/dbraw/zinc/54/05/12/662540512.db2.gz RMVLNFYZQDFAMU-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001025965067 662540681 /nfs/dbraw/zinc/54/06/81/662540681.db2.gz PTGDKTOHVHBJMN-FBSDCJDYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001025965067 662540683 /nfs/dbraw/zinc/54/06/83/662540683.db2.gz PTGDKTOHVHBJMN-FBSDCJDYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@H](C)O1 ZINC001025998509 662540690 /nfs/dbraw/zinc/54/06/90/662540690.db2.gz ADACCSHZUDQHCH-RNFDROQYSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@H](C)O1 ZINC001025998509 662540691 /nfs/dbraw/zinc/54/06/91/662540691.db2.gz ADACCSHZUDQHCH-RNFDROQYSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC(=O)NC1 ZINC001025965103 662540726 /nfs/dbraw/zinc/54/07/26/662540726.db2.gz SXYIGHPVCGSTPV-IWAHSAMASA-N 1 1 320.393 -1.162 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994166 662540803 /nfs/dbraw/zinc/54/08/03/662540803.db2.gz JGFXCPDRTZZJKR-KZZRWZIVSA-N 1 1 321.381 -1.665 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC(=O)NC1 ZINC001025965106 662540846 /nfs/dbraw/zinc/54/08/46/662540846.db2.gz SXYIGHPVCGSTPV-UZSKJHCISA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCCCC(=O)N1 ZINC001026033002 662540983 /nfs/dbraw/zinc/54/09/83/662540983.db2.gz HJFVYBIXILRSFO-SVPLCASGSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001026036589 662541018 /nfs/dbraw/zinc/54/10/18/662541018.db2.gz UVXUAUZVQNAPRC-OYFAQSGBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001026033274 662541178 /nfs/dbraw/zinc/54/11/78/662541178.db2.gz YUNUFDYTKFAMHI-XPORZQOISA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001026033274 662541179 /nfs/dbraw/zinc/54/11/79/662541179.db2.gz YUNUFDYTKFAMHI-XPORZQOISA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CCC(=O)N1 ZINC001026013777 662541208 /nfs/dbraw/zinc/54/12/08/662541208.db2.gz YBSNFVKQOXRTNW-UZSKJHCISA-N 1 1 320.393 -1.020 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001026036792 662541431 /nfs/dbraw/zinc/54/14/31/662541431.db2.gz FZIUJLREDYIIBY-GPMNSPGJSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026049859 662541442 /nfs/dbraw/zinc/54/14/42/662541442.db2.gz PLASZSLTDSDAKZ-NAFSEIKSSA-N 1 1 306.366 -1.615 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026048408 662541503 /nfs/dbraw/zinc/54/15/03/662541503.db2.gz ZODOCBMNQULBQF-ASHHDVGLSA-N 1 1 322.409 -1.108 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001026036805 662541510 /nfs/dbraw/zinc/54/15/10/662541510.db2.gz FZIUJLREDYIIBY-QMUJVDTISA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026039138 662541522 /nfs/dbraw/zinc/54/15/22/662541522.db2.gz VTCIIGYPLLHZFR-NEJQNHLGSA-N 1 1 324.381 -1.800 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001026050875 662541533 /nfs/dbraw/zinc/54/15/33/662541533.db2.gz UIUBTNQJONUQLO-ZSOJELSESA-N 1 1 308.382 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001026050875 662541534 /nfs/dbraw/zinc/54/15/34/662541534.db2.gz UIUBTNQJONUQLO-ZSOJELSESA-N 1 1 308.382 -1.192 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026050871 662541572 /nfs/dbraw/zinc/54/15/72/662541572.db2.gz SYYHWMKEKBEVDY-XARVFOJUSA-N 1 1 320.393 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077964 662541795 /nfs/dbraw/zinc/54/17/95/662541795.db2.gz OMIPDKBSZUTURU-XWIWCORWSA-N 1 1 309.326 -2.495 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077964 662541798 /nfs/dbraw/zinc/54/17/98/662541798.db2.gz OMIPDKBSZUTURU-XWIWCORWSA-N 1 1 309.326 -2.495 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001026062394 662541802 /nfs/dbraw/zinc/54/18/02/662541802.db2.gz JLKRKMZLIOLAQO-GRZGAGJTSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001026062394 662541804 /nfs/dbraw/zinc/54/18/04/662541804.db2.gz JLKRKMZLIOLAQO-GRZGAGJTSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001026062396 662541808 /nfs/dbraw/zinc/54/18/08/662541808.db2.gz JLKRKMZLIOLAQO-QEGBUVANSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001026062396 662541810 /nfs/dbraw/zinc/54/18/10/662541810.db2.gz JLKRKMZLIOLAQO-QEGBUVANSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC001026143747 662541985 /nfs/dbraw/zinc/54/19/85/662541985.db2.gz HUADLOWFRVFMGZ-HMUNZLOLSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC001026143747 662541987 /nfs/dbraw/zinc/54/19/87/662541987.db2.gz HUADLOWFRVFMGZ-HMUNZLOLSA-N 1 1 308.382 -1.083 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001026103229 662542008 /nfs/dbraw/zinc/54/20/08/662542008.db2.gz AEJFXZUDPZQWKA-QKZHPOIUSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC001026078237 662542349 /nfs/dbraw/zinc/54/23/49/662542349.db2.gz YKWASYVWVNBLBY-KSFAHDSMSA-N 1 1 321.337 -2.481 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147804 662542835 /nfs/dbraw/zinc/54/28/35/662542835.db2.gz OHNJMQLVQBXBBQ-BNDIWNMDSA-N 1 1 310.398 -1.373 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146781 662542873 /nfs/dbraw/zinc/54/28/73/662542873.db2.gz MRPFFXQFOWDQOI-PREPNJAASA-N 1 1 317.411 -1.241 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001026149719 662542884 /nfs/dbraw/zinc/54/28/84/662542884.db2.gz USAUBUXRCHCOOT-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001026149719 662542885 /nfs/dbraw/zinc/54/28/85/662542885.db2.gz USAUBUXRCHCOOT-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001026141642 662543036 /nfs/dbraw/zinc/54/30/36/662543036.db2.gz CZRZDFFCQZSFCN-XPORZQOISA-N 1 1 308.382 -1.212 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147806 662543052 /nfs/dbraw/zinc/54/30/52/662543052.db2.gz OHNJMQLVQBXBBQ-KIJLLGNVSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O ZINC001026147613 662543101 /nfs/dbraw/zinc/54/31/01/662543101.db2.gz CRXUOHITQHUVBU-ZIQFBCGOSA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O ZINC001026147613 662543104 /nfs/dbraw/zinc/54/31/04/662543104.db2.gz CRXUOHITQHUVBU-ZIQFBCGOSA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001026149720 662543157 /nfs/dbraw/zinc/54/31/57/662543157.db2.gz USAUBUXRCHCOOT-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001026149720 662543159 /nfs/dbraw/zinc/54/31/59/662543159.db2.gz USAUBUXRCHCOOT-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026143812 662543169 /nfs/dbraw/zinc/54/31/69/662543169.db2.gz PPFLVXVPDXRDJZ-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001026141641 662543194 /nfs/dbraw/zinc/54/31/94/662543194.db2.gz CZRZDFFCQZSFCN-IIEKFROSSA-N 1 1 308.382 -1.212 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N1CCOCC1 ZINC001026154740 662543539 /nfs/dbraw/zinc/54/35/39/662543539.db2.gz MZCFMUXLDRCFNM-PDWCTOEPSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153759 662543647 /nfs/dbraw/zinc/54/36/47/662543647.db2.gz IPHPLDQNPUVKTK-QUARPLMYSA-N 1 1 309.370 -1.550 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153759 662543648 /nfs/dbraw/zinc/54/36/48/662543648.db2.gz IPHPLDQNPUVKTK-QUARPLMYSA-N 1 1 309.370 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154762 662543657 /nfs/dbraw/zinc/54/36/57/662543657.db2.gz PNNKEXGUKGSQAJ-TURJHENQSA-N 1 1 322.365 -1.780 20 0 DAADMO C[N@@H+](C[C@@H](O)C1(O)CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000930540889 662543964 /nfs/dbraw/zinc/54/39/64/662543964.db2.gz KDIPUQVYZINVPF-VXGBXAGGSA-N 1 1 322.427 -1.146 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973857727 662544357 /nfs/dbraw/zinc/54/43/57/662544357.db2.gz POPXTZGSFACZCN-OUAUKWLOSA-N 1 1 307.358 -1.469 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973861323 662544524 /nfs/dbraw/zinc/54/45/24/662544524.db2.gz POPXTZGSFACZCN-AXFHLTTASA-N 1 1 307.358 -1.469 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]23)n1 ZINC001026222415 662545059 /nfs/dbraw/zinc/54/50/59/662545059.db2.gz FALJUMHAXMLJAE-KXUCPTDWSA-N 1 1 307.358 -1.588 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000973952938 662546421 /nfs/dbraw/zinc/54/64/21/662546421.db2.gz ZOYPZXMDMTUBHC-AXFHLTTASA-N 1 1 322.369 -1.159 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973987244 662546984 /nfs/dbraw/zinc/54/69/84/662546984.db2.gz AZURZTHNFPROIG-KXUCPTDWSA-N 1 1 323.357 -2.082 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973987244 662546987 /nfs/dbraw/zinc/54/69/87/662546987.db2.gz AZURZTHNFPROIG-KXUCPTDWSA-N 1 1 323.357 -2.082 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000974001351 662547127 /nfs/dbraw/zinc/54/71/27/662547127.db2.gz VXKYTWOTJYHCMY-OUAUKWLOSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000974001351 662547129 /nfs/dbraw/zinc/54/71/29/662547129.db2.gz VXKYTWOTJYHCMY-OUAUKWLOSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973998839 662547556 /nfs/dbraw/zinc/54/75/56/662547556.db2.gz LDMVLDBLVBZXHA-TUAOUCFPSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973998839 662547559 /nfs/dbraw/zinc/54/75/59/662547559.db2.gz LDMVLDBLVBZXHA-TUAOUCFPSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000974150737 662551839 /nfs/dbraw/zinc/55/18/39/662551839.db2.gz PSEJQCCAGIAIDR-YFKTTZPYSA-N 1 1 308.382 -1.162 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000974150734 662552016 /nfs/dbraw/zinc/55/20/16/662552016.db2.gz PSEJQCCAGIAIDR-NNYUYHANSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974162372 662552231 /nfs/dbraw/zinc/55/22/31/662552231.db2.gz RKSIREFSPSDLDL-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974161554 662552482 /nfs/dbraw/zinc/55/24/82/662552482.db2.gz ANTMJIXYRJSDKM-NNYUYHANSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974161733 662552544 /nfs/dbraw/zinc/55/25/44/662552544.db2.gz INFGJAXDJQRPKA-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008192508 662553715 /nfs/dbraw/zinc/55/37/15/662553715.db2.gz WHUOFCQLZCCISZ-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001008192508 662553718 /nfs/dbraw/zinc/55/37/18/662553718.db2.gz WHUOFCQLZCCISZ-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]32)n1 ZINC001026379701 662554849 /nfs/dbraw/zinc/55/48/49/662554849.db2.gz JBOWIXJCNCXZFX-LPEHRKFASA-N 1 1 317.357 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974314966 662557735 /nfs/dbraw/zinc/55/77/35/662557735.db2.gz PTHMKUHBOZUWSX-AXFHLTTASA-N 1 1 320.353 -1.364 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000974324769 662558103 /nfs/dbraw/zinc/55/81/03/662558103.db2.gz ROAZNLJBRFSWKO-MXWKQRLJSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974327018 662558116 /nfs/dbraw/zinc/55/81/16/662558116.db2.gz JIFMFUXPALTPEE-WISYIIOYSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974327020 662558132 /nfs/dbraw/zinc/55/81/32/662558132.db2.gz JIFMFUXPALTPEE-YFKTTZPYSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974327019 662558399 /nfs/dbraw/zinc/55/83/99/662558399.db2.gz JIFMFUXPALTPEE-WYUUTHIRSA-N 1 1 323.397 -1.227 20 0 DAADMO Cn1nccc1CC[NH+]1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000949948646 662558408 /nfs/dbraw/zinc/55/84/08/662558408.db2.gz UOLVENQNVUZMQM-GFCCVEGCSA-N 1 1 306.370 -1.212 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000974324768 662558430 /nfs/dbraw/zinc/55/84/30/662558430.db2.gz ROAZNLJBRFSWKO-GARJFASQSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001026698722 662561639 /nfs/dbraw/zinc/56/16/39/662561639.db2.gz NSPYYPQUBIEBTD-WDEREUQCSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001026739584 662562371 /nfs/dbraw/zinc/56/23/71/662562371.db2.gz XWIRUOFZEFIWTH-VIFPVBQESA-N 1 1 317.357 -1.166 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001026741921 662562411 /nfs/dbraw/zinc/56/24/11/662562411.db2.gz QYRNOMKZIGLZFS-VIFPVBQESA-N 1 1 310.358 -1.051 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001026749435 662562942 /nfs/dbraw/zinc/56/29/42/662562942.db2.gz IHLHUVDOHDVCCV-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974471315 662563085 /nfs/dbraw/zinc/56/30/85/662563085.db2.gz GEJUSCONFGCNJS-VHSXEESVSA-N 1 1 322.369 -1.301 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974471315 662563087 /nfs/dbraw/zinc/56/30/87/662563087.db2.gz GEJUSCONFGCNJS-VHSXEESVSA-N 1 1 322.369 -1.301 20 0 DAADMO NC(=O)C1(C(=O)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000949983213 662563396 /nfs/dbraw/zinc/56/33/96/662563396.db2.gz SVTOASIVTYPIJX-LBPRGKRZSA-N 1 1 321.381 -1.346 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC000974543949 662563862 /nfs/dbraw/zinc/56/38/62/662563862.db2.gz QJFWIYGUOUSUNL-GHMZBOCLSA-N 1 1 305.338 -1.264 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000974528969 662563907 /nfs/dbraw/zinc/56/39/07/662563907.db2.gz DDKNXAJKRYKOLF-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)n1 ZINC001026807103 662564028 /nfs/dbraw/zinc/56/40/28/662564028.db2.gz CNAGDNMMKXVFIO-SECBINFHSA-N 1 1 321.341 -1.246 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597473 662564290 /nfs/dbraw/zinc/56/42/90/662564290.db2.gz FFEZXZPRYZBGTP-ZJUUUORDSA-N 1 1 324.385 -1.416 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602697 662564469 /nfs/dbraw/zinc/56/44/69/662564469.db2.gz LWPNRTQJQHPYAA-LLVKDONJSA-N 1 1 319.373 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000974587079 662564489 /nfs/dbraw/zinc/56/44/89/662564489.db2.gz WFFWVTBBIDILID-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602721 662564605 /nfs/dbraw/zinc/56/46/05/662564605.db2.gz LYYIDMCENPRADD-ZJUUUORDSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602721 662564606 /nfs/dbraw/zinc/56/46/06/662564606.db2.gz LYYIDMCENPRADD-ZJUUUORDSA-N 1 1 309.374 -1.366 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602479 662564714 /nfs/dbraw/zinc/56/47/14/662564714.db2.gz KXUQLSXMRRMYFR-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602479 662564719 /nfs/dbraw/zinc/56/47/19/662564719.db2.gz KXUQLSXMRRMYFR-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600465 662564955 /nfs/dbraw/zinc/56/49/55/662564955.db2.gz GYRLGQWNWSWDEY-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600465 662564961 /nfs/dbraw/zinc/56/49/61/662564961.db2.gz GYRLGQWNWSWDEY-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974633140 662565071 /nfs/dbraw/zinc/56/50/71/662565071.db2.gz PEAFRRBJJQDLNR-GHMZBOCLSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974633140 662565072 /nfs/dbraw/zinc/56/50/72/662565072.db2.gz PEAFRRBJJQDLNR-GHMZBOCLSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974633145 662565230 /nfs/dbraw/zinc/56/52/30/662565230.db2.gz PEAFRRBJJQDLNR-WDEREUQCSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000974633145 662565232 /nfs/dbraw/zinc/56/52/32/662565232.db2.gz PEAFRRBJJQDLNR-WDEREUQCSA-N 1 1 306.370 -1.007 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001026844785 662565278 /nfs/dbraw/zinc/56/52/78/662565278.db2.gz QBOBWWFRUKLTPU-VIFPVBQESA-N 1 1 306.334 -2.165 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001026883415 662565903 /nfs/dbraw/zinc/56/59/03/662565903.db2.gz VHYINMVXOULARG-WDEREUQCSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)n1 ZINC001026902608 662566334 /nfs/dbraw/zinc/56/63/34/662566334.db2.gz NLJRFRGODIRALT-WDEREUQCSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001026909673 662566405 /nfs/dbraw/zinc/56/64/05/662566405.db2.gz XMYOLYJLXFQWMQ-SECBINFHSA-N 1 1 318.341 -1.042 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026894974 662566408 /nfs/dbraw/zinc/56/64/08/662566408.db2.gz SYGGUHXHTQMZPI-GVXVVHGQSA-N 1 1 324.385 -1.048 20 0 DAADMO Cn1cc(S(=O)(=O)NCCN2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000931407214 662566856 /nfs/dbraw/zinc/56/68/56/662566856.db2.gz GGQWTSPEHHAJRX-NSHDSACASA-N 1 1 317.415 -1.693 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756902 662566894 /nfs/dbraw/zinc/56/68/94/662566894.db2.gz LDRPOWDSHAJANK-QWRGUYRKSA-N 1 1 311.386 -1.211 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)n1 ZINC001026970357 662567383 /nfs/dbraw/zinc/56/73/83/662567383.db2.gz OGYDRKWVFKRGQK-HZMBPMFUSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001026993361 662568035 /nfs/dbraw/zinc/56/80/35/662568035.db2.gz CLDLHFANMUKVEO-VHSXEESVSA-N 1 1 322.373 -1.828 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC001027004834 662568796 /nfs/dbraw/zinc/56/87/96/662568796.db2.gz FRWLEXXCOURVCF-QWRGUYRKSA-N 1 1 321.385 -1.374 20 0 DAADMO COCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC001027033824 662569917 /nfs/dbraw/zinc/56/99/17/662569917.db2.gz OOVAXWGEUNQIBK-VIFPVBQESA-N 1 1 311.342 -1.318 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974917607 662570096 /nfs/dbraw/zinc/57/00/96/662570096.db2.gz CCJVLXARCIMPKR-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+](CCn3cncn3)CC2(C)C)n1 ZINC000974942549 662570772 /nfs/dbraw/zinc/57/07/72/662570772.db2.gz CXFVBHMTRUFDFR-JTQLQIEISA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)O1 ZINC000974969354 662571313 /nfs/dbraw/zinc/57/13/13/662571313.db2.gz LPJMBXBCZVIZAS-DDHJBXDOSA-N 1 1 324.381 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)O1 ZINC000974969354 662571314 /nfs/dbraw/zinc/57/13/14/662571314.db2.gz LPJMBXBCZVIZAS-DDHJBXDOSA-N 1 1 324.381 -1.750 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974991345 662572813 /nfs/dbraw/zinc/57/28/13/662572813.db2.gz DNIOAYNLMKXSSL-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974991345 662572814 /nfs/dbraw/zinc/57/28/14/662572814.db2.gz DNIOAYNLMKXSSL-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO COCC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038682154 662572818 /nfs/dbraw/zinc/57/28/18/662572818.db2.gz OANYCXNZDZFMAV-QMMMGPOBSA-N 1 1 317.371 -1.492 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038682154 662572819 /nfs/dbraw/zinc/57/28/19/662572819.db2.gz OANYCXNZDZFMAV-QMMMGPOBSA-N 1 1 317.371 -1.492 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683455 662572853 /nfs/dbraw/zinc/57/28/53/662572853.db2.gz WCSIRTLUKSSPQH-YUMQZZPRSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683455 662572857 /nfs/dbraw/zinc/57/28/57/662572857.db2.gz WCSIRTLUKSSPQH-YUMQZZPRSA-N 1 1 317.371 -1.758 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC000975001214 662572917 /nfs/dbraw/zinc/57/29/17/662572917.db2.gz BJOMPCLANOMSDR-GHMZBOCLSA-N 1 1 309.370 -1.444 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991306 662573128 /nfs/dbraw/zinc/57/31/28/662573128.db2.gz CZTSVSXEYVDJAO-ZJUUUORDSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991306 662573130 /nfs/dbraw/zinc/57/31/30/662573130.db2.gz CZTSVSXEYVDJAO-ZJUUUORDSA-N 1 1 311.386 -1.417 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000975107866 662573133 /nfs/dbraw/zinc/57/31/33/662573133.db2.gz QMYJUKRONXIUKD-UWVGGRQHSA-N 1 1 312.370 -1.207 20 0 DAADMO O=S1(=O)C[C@H]([NH2+]CC2OCCO2)[C@H](N2CCOCC2)C1 ZINC000777615396 662573333 /nfs/dbraw/zinc/57/33/33/662573333.db2.gz IRLYILPMISKSPI-WDEREUQCSA-N 1 1 306.384 -1.553 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173555 662573648 /nfs/dbraw/zinc/57/36/48/662573648.db2.gz DGFQZKHAUJYUQO-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173555 662573650 /nfs/dbraw/zinc/57/36/50/662573650.db2.gz DGFQZKHAUJYUQO-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001027179874 662575724 /nfs/dbraw/zinc/57/57/24/662575724.db2.gz GTPJDKPKGGMTRU-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684080 662576029 /nfs/dbraw/zinc/57/60/29/662576029.db2.gz KSMNAUCFHVCXOG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684080 662576030 /nfs/dbraw/zinc/57/60/30/662576030.db2.gz KSMNAUCFHVCXOG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027216714 662576118 /nfs/dbraw/zinc/57/61/18/662576118.db2.gz XEOYIFQKVBVOGY-NEPJUHHUSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216714 662576121 /nfs/dbraw/zinc/57/61/21/662576121.db2.gz XEOYIFQKVBVOGY-NEPJUHHUSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027216715 662576528 /nfs/dbraw/zinc/57/65/28/662576528.db2.gz XEOYIFQKVBVOGY-NWDGAFQWSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216715 662576534 /nfs/dbraw/zinc/57/65/34/662576534.db2.gz XEOYIFQKVBVOGY-NWDGAFQWSA-N 1 1 322.413 -1.002 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001006689636 662576694 /nfs/dbraw/zinc/57/66/94/662576694.db2.gz CSOZJKVVBMTUKC-NSHDSACASA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006696109 662576868 /nfs/dbraw/zinc/57/68/68/662576868.db2.gz SLPZZHDBIFCDGB-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006696109 662576870 /nfs/dbraw/zinc/57/68/70/662576870.db2.gz SLPZZHDBIFCDGB-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000975935737 662577069 /nfs/dbraw/zinc/57/70/69/662577069.db2.gz XKQICTQGUPQACZ-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]([C@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC001027289831 662577170 /nfs/dbraw/zinc/57/71/70/662577170.db2.gz KFLDYPUZHVOGKY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696876 662577195 /nfs/dbraw/zinc/57/71/95/662577195.db2.gz VWWBLJDMYFRGIA-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696876 662577197 /nfs/dbraw/zinc/57/71/97/662577197.db2.gz VWWBLJDMYFRGIA-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291158 662577526 /nfs/dbraw/zinc/57/75/26/662577526.db2.gz KGUMCJSDHLMXEF-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291158 662577528 /nfs/dbraw/zinc/57/75/28/662577528.db2.gz KGUMCJSDHLMXEF-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000976127465 662578991 /nfs/dbraw/zinc/57/89/91/662578991.db2.gz IGVDUCODROIQFJ-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)C1 ZINC000976190970 662580005 /nfs/dbraw/zinc/58/00/05/662580005.db2.gz CVJLHDNQRJGWME-JULQROHOSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)C1 ZINC000976190970 662580009 /nfs/dbraw/zinc/58/00/09/662580009.db2.gz CVJLHDNQRJGWME-JULQROHOSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)C1 ZINC000976234321 662581283 /nfs/dbraw/zinc/58/12/83/662581283.db2.gz MHIYUHQSSRAURG-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)C1 ZINC000976234321 662581286 /nfs/dbraw/zinc/58/12/86/662581286.db2.gz MHIYUHQSSRAURG-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009464185 662581503 /nfs/dbraw/zinc/58/15/03/662581503.db2.gz XRQLPXBLBJXHOL-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009464185 662581504 /nfs/dbraw/zinc/58/15/04/662581504.db2.gz XRQLPXBLBJXHOL-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009461118 662581512 /nfs/dbraw/zinc/58/15/12/662581512.db2.gz PPEYBVCEJFJOHS-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 ZINC000976267389 662582175 /nfs/dbraw/zinc/58/21/75/662582175.db2.gz ITTMHXITRYLHJN-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC000976269617 662582305 /nfs/dbraw/zinc/58/23/05/662582305.db2.gz OOWUIOFYIVEZFJ-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976311130 662582625 /nfs/dbraw/zinc/58/26/25/662582625.db2.gz NADCIGGDDGHRJB-COMAGPEQSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976311130 662582627 /nfs/dbraw/zinc/58/26/27/662582627.db2.gz NADCIGGDDGHRJB-COMAGPEQSA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001006704637 662582732 /nfs/dbraw/zinc/58/27/32/662582732.db2.gz QGRPFQGKDFXRRA-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001006704637 662582736 /nfs/dbraw/zinc/58/27/36/662582736.db2.gz QGRPFQGKDFXRRA-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]32)C1 ZINC000976303358 662582955 /nfs/dbraw/zinc/58/29/55/662582955.db2.gz DDMAEAASVDPHLI-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]32)C1 ZINC000976303358 662582956 /nfs/dbraw/zinc/58/29/56/662582956.db2.gz DDMAEAASVDPHLI-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976443914 662584408 /nfs/dbraw/zinc/58/44/08/662584408.db2.gz SGCWBVJQXVTJOI-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1 ZINC000976437022 662584691 /nfs/dbraw/zinc/58/46/91/662584691.db2.gz CLAYXVVXJKHJFI-PREPNJAASA-N 1 1 322.365 -1.381 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000976449702 662584881 /nfs/dbraw/zinc/58/48/81/662584881.db2.gz DNIKUEJAVIRTED-NNYUYHANSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC000976455250 662585152 /nfs/dbraw/zinc/58/51/52/662585152.db2.gz XXBGZZXXGOXHBG-MXWKQRLJSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC000976455250 662585155 /nfs/dbraw/zinc/58/51/55/662585155.db2.gz XXBGZZXXGOXHBG-MXWKQRLJSA-N 1 1 312.370 -1.654 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976504489 662585654 /nfs/dbraw/zinc/58/56/54/662585654.db2.gz VSOLRLWFUYQCOM-KXNHARMFSA-N 1 1 308.382 -1.083 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000976506817 662585906 /nfs/dbraw/zinc/58/59/06/662585906.db2.gz FJKSXVWCWUWPGI-KVSVUVNWSA-N 1 1 320.393 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC000976536054 662585973 /nfs/dbraw/zinc/58/59/73/662585973.db2.gz IKOLDZJMLJVYQB-NNYUYHANSA-N 1 1 320.393 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]32)C1 ZINC000976533943 662586050 /nfs/dbraw/zinc/58/60/50/662586050.db2.gz VQGDERPLAGJSRK-KVSVUVNWSA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)C1 ZINC000976535446 662586146 /nfs/dbraw/zinc/58/61/46/662586146.db2.gz KWBBMBNDIFLYNY-MEWQQHAOSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]32)C1 ZINC000976537520 662586244 /nfs/dbraw/zinc/58/62/44/662586244.db2.gz USMLKQOWMHSWLD-PREPNJAASA-N 1 1 322.365 -1.381 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027377302 662586301 /nfs/dbraw/zinc/58/63/01/662586301.db2.gz KBWPPKNGNBQVAU-UWVGGRQHSA-N 1 1 310.358 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]32)C1 ZINC000976543002 662586660 /nfs/dbraw/zinc/58/66/60/662586660.db2.gz ZPXPPQOHLOMXAS-PREPNJAASA-N 1 1 321.381 -1.808 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)C1 ZINC000976544489 662586665 /nfs/dbraw/zinc/58/66/65/662586665.db2.gz HGIUBURZKDRGIA-LIBFEPKXSA-N 1 1 320.393 -1.368 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411380 662588467 /nfs/dbraw/zinc/58/84/67/662588467.db2.gz DFCDTEOJYOCREG-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411842 662588767 /nfs/dbraw/zinc/58/87/67/662588767.db2.gz IYTNOMIHHHTGEN-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412707 662588874 /nfs/dbraw/zinc/58/88/74/662588874.db2.gz VUZKFJOXQZCIHV-NSHDSACASA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412707 662588876 /nfs/dbraw/zinc/58/88/76/662588876.db2.gz VUZKFJOXQZCIHV-NSHDSACASA-N 1 1 319.373 -1.075 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000976752252 662589191 /nfs/dbraw/zinc/58/91/91/662589191.db2.gz NLZUTNNJAMVNMG-GOTIFHFNSA-N 1 1 317.349 -1.038 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)nn1 ZINC001009631415 662589868 /nfs/dbraw/zinc/58/98/68/662589868.db2.gz CDODHNUVGGTRPZ-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009635040 662590261 /nfs/dbraw/zinc/59/02/61/662590261.db2.gz KPLPPTVILSRAAK-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433257 662591143 /nfs/dbraw/zinc/59/11/43/662591143.db2.gz VLLCCIBUMCPWEE-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433257 662591145 /nfs/dbraw/zinc/59/11/45/662591145.db2.gz VLLCCIBUMCPWEE-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433259 662591331 /nfs/dbraw/zinc/59/13/31/662591331.db2.gz VLLCCIBUMCPWEE-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433259 662591333 /nfs/dbraw/zinc/59/13/33/662591333.db2.gz VLLCCIBUMCPWEE-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027433732 662591821 /nfs/dbraw/zinc/59/18/21/662591821.db2.gz CNEFFJVVCHPASD-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000976921388 662592714 /nfs/dbraw/zinc/59/27/14/662592714.db2.gz LFUIUGJLCJBBKD-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1 ZINC000976946941 662593988 /nfs/dbraw/zinc/59/39/88/662593988.db2.gz SUPRLFZUVPNBGB-FHUSYTEZSA-N 1 1 320.393 -1.353 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977090197 662598665 /nfs/dbraw/zinc/59/86/65/662598665.db2.gz TVSOZXPWBIWAIY-KXNHARMFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977090197 662598668 /nfs/dbraw/zinc/59/86/68/662598668.db2.gz TVSOZXPWBIWAIY-KXNHARMFSA-N 1 1 324.381 -1.846 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000977081672 662599991 /nfs/dbraw/zinc/59/99/91/662599991.db2.gz APTGPNRJRMOQQM-GCHJQGSQSA-N 1 1 321.381 -1.808 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]21 ZINC000977080819 662600044 /nfs/dbraw/zinc/60/00/44/662600044.db2.gz ACYQBWRHZJIDQD-KVSVUVNWSA-N 1 1 320.393 -1.081 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027471270 662600308 /nfs/dbraw/zinc/60/03/08/662600308.db2.gz YSLWMVAASMRPFM-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482522 662600496 /nfs/dbraw/zinc/60/04/96/662600496.db2.gz DHWYJOOLOBQDNG-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000977205439 662600687 /nfs/dbraw/zinc/60/06/87/662600687.db2.gz SKGKKARJQZZRSQ-PDWLFKFUSA-N 1 1 320.393 -1.225 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977206073 662600713 /nfs/dbraw/zinc/60/07/13/662600713.db2.gz BAFLCHBFGFNZAV-MOUCOTEISA-N 1 1 308.382 -1.368 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482148 662600792 /nfs/dbraw/zinc/60/07/92/662600792.db2.gz CCBXOHOHLPJAAZ-SNVBAGLBSA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482148 662600794 /nfs/dbraw/zinc/60/07/94/662600794.db2.gz CCBXOHOHLPJAAZ-SNVBAGLBSA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482533 662600812 /nfs/dbraw/zinc/60/08/12/662600812.db2.gz DHWYJOOLOBQDNG-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977206074 662601194 /nfs/dbraw/zinc/60/11/94/662601194.db2.gz BAFLCHBFGFNZAV-TUYISWAISA-N 1 1 308.382 -1.368 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000977207709 662601324 /nfs/dbraw/zinc/60/13/24/662601324.db2.gz CCCPTCTYMCJBJV-QKFSQAGISA-N 1 1 320.393 -1.368 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1 ZINC000977229949 662601640 /nfs/dbraw/zinc/60/16/40/662601640.db2.gz TXABTAREUWEQGN-CIQGVGRVSA-N 1 1 318.381 -1.197 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)ncc1=O ZINC001027499343 662602079 /nfs/dbraw/zinc/60/20/79/662602079.db2.gz BXQQVFHRKWOULO-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)ncc1=O ZINC001027499343 662602081 /nfs/dbraw/zinc/60/20/81/662602081.db2.gz BXQQVFHRKWOULO-JTQLQIEISA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC001027505665 662602440 /nfs/dbraw/zinc/60/24/40/662602440.db2.gz RWYMQHSSTBQLCR-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC001027505665 662602443 /nfs/dbraw/zinc/60/24/43/662602443.db2.gz RWYMQHSSTBQLCR-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001027531487 662603399 /nfs/dbraw/zinc/60/33/99/662603399.db2.gz MTDBMKXVOKMOEX-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1=O ZINC000977469782 662603408 /nfs/dbraw/zinc/60/34/08/662603408.db2.gz OWLHNKXMHDGQCD-JTQLQIEISA-N 1 1 312.370 -1.301 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977485015 662603465 /nfs/dbraw/zinc/60/34/65/662603465.db2.gz ZCBDNNIRBXYENJ-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575958 662604039 /nfs/dbraw/zinc/60/40/39/662604039.db2.gz RPTOTGZFKZTPGO-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575958 662604043 /nfs/dbraw/zinc/60/40/43/662604043.db2.gz RPTOTGZFKZTPGO-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000977569741 662604119 /nfs/dbraw/zinc/60/41/19/662604119.db2.gz WQBXDYFMEIWLGT-JTQLQIEISA-N 1 1 312.370 -1.253 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000977602541 662604218 /nfs/dbraw/zinc/60/42/18/662604218.db2.gz LDIAEMYQXDEJRQ-QWRGUYRKSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575957 662604312 /nfs/dbraw/zinc/60/43/12/662604312.db2.gz RPTOTGZFKZTPGO-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575957 662604313 /nfs/dbraw/zinc/60/43/13/662604313.db2.gz RPTOTGZFKZTPGO-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000977602537 662604320 /nfs/dbraw/zinc/60/43/20/662604320.db2.gz LDIAEMYQXDEJRQ-GHMZBOCLSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000977608227 662604346 /nfs/dbraw/zinc/60/43/46/662604346.db2.gz ZMPVYSBLOUNBDA-NXEZZACHSA-N 1 1 305.400 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663293 662605337 /nfs/dbraw/zinc/60/53/37/662605337.db2.gz VIQIAONPNPLXOK-UWVGGRQHSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663293 662605339 /nfs/dbraw/zinc/60/53/39/662605339.db2.gz VIQIAONPNPLXOK-UWVGGRQHSA-N 1 1 324.381 -1.388 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551107 662605462 /nfs/dbraw/zinc/60/54/62/662605462.db2.gz ISEWGTZPBXWABZ-VXGBXAGGSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551663 662605694 /nfs/dbraw/zinc/60/56/94/662605694.db2.gz PTMKVNJKVJZXMQ-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551663 662605696 /nfs/dbraw/zinc/60/56/96/662605696.db2.gz PTMKVNJKVJZXMQ-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977732878 662605739 /nfs/dbraw/zinc/60/57/39/662605739.db2.gz PDKPUWFVDUFNIK-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554771 662605787 /nfs/dbraw/zinc/60/57/87/662605787.db2.gz WUILBGKGSKAFNC-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552715 662605819 /nfs/dbraw/zinc/60/58/19/662605819.db2.gz ZMXMYLXBZGUYRF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552715 662605820 /nfs/dbraw/zinc/60/58/20/662605820.db2.gz ZMXMYLXBZGUYRF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1)N1CCC1 ZINC000977833520 662606293 /nfs/dbraw/zinc/60/62/93/662606293.db2.gz DJQYYQLBPBHNHZ-FQUUOJAGSA-N 1 1 323.393 -1.072 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977775073 662606328 /nfs/dbraw/zinc/60/63/28/662606328.db2.gz QLXQUQXHLYEJPD-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811205 662606391 /nfs/dbraw/zinc/60/63/91/662606391.db2.gz UVQWURXDIDEYAH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811205 662606392 /nfs/dbraw/zinc/60/63/92/662606392.db2.gz UVQWURXDIDEYAH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977775063 662606452 /nfs/dbraw/zinc/60/64/52/662606452.db2.gz QLXQUQXHLYEJPD-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC000977840218 662606505 /nfs/dbraw/zinc/60/65/05/662606505.db2.gz PXOQDRPPCNMRFE-RVMXOQNASA-N 1 1 311.382 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC000977840215 662606525 /nfs/dbraw/zinc/60/65/25/662606525.db2.gz PXOQDRPPCNMRFE-FVCCEPFGSA-N 1 1 311.382 -1.216 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nnn1C ZINC000977940387 662607205 /nfs/dbraw/zinc/60/72/05/662607205.db2.gz CFWCWXRKGDLZOX-XWLWVQCSSA-N 1 1 306.370 -1.095 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000978010135 662608241 /nfs/dbraw/zinc/60/82/41/662608241.db2.gz KOZLRTCYXIHUNO-KKOKHZNYSA-N 1 1 308.382 -1.447 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC000978083287 662608382 /nfs/dbraw/zinc/60/83/82/662608382.db2.gz ZQBDZZHHOBSOEP-STRQVWJDSA-N 1 1 308.382 -1.368 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC000978061090 662608404 /nfs/dbraw/zinc/60/84/04/662608404.db2.gz MBNDPIGCRRITQV-RVMXOQNASA-N 1 1 310.398 -1.643 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)c1N ZINC000978070462 662608742 /nfs/dbraw/zinc/60/87/42/662608742.db2.gz RSWVMFJLBKTZOD-KXGXSXBTSA-N 1 1 318.381 -1.202 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114405 662609229 /nfs/dbraw/zinc/60/92/29/662609229.db2.gz QKMXSNOCHRTZPL-YFKTTZPYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114405 662609231 /nfs/dbraw/zinc/60/92/31/662609231.db2.gz QKMXSNOCHRTZPL-YFKTTZPYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978089397 662609254 /nfs/dbraw/zinc/60/92/54/662609254.db2.gz DXYQTNROLLOZFG-CNDDSTCGSA-N 1 1 318.381 -1.045 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114396 662609293 /nfs/dbraw/zinc/60/92/93/662609293.db2.gz QKMXSNOCHRTZPL-WISYIIOYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114396 662609294 /nfs/dbraw/zinc/60/92/94/662609294.db2.gz QKMXSNOCHRTZPL-WISYIIOYSA-N 1 1 320.353 -1.283 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000978117737 662609546 /nfs/dbraw/zinc/60/95/46/662609546.db2.gz VLJQQIRUYPKHIZ-YFKTTZPYSA-N 1 1 320.353 -1.320 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)nn1 ZINC000978108200 662609596 /nfs/dbraw/zinc/60/95/96/662609596.db2.gz BZAQZTRUJPNDLI-CNDDSTCGSA-N 1 1 318.381 -1.045 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978123715 662609641 /nfs/dbraw/zinc/60/96/41/662609641.db2.gz VNXRQMFSNKAHCM-GUDRVLHUSA-N 1 1 306.370 -1.013 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000978105479 662609700 /nfs/dbraw/zinc/60/97/00/662609700.db2.gz FGHATHITRWTATN-WISYIIOYSA-N 1 1 322.365 -1.333 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC000978188169 662610394 /nfs/dbraw/zinc/61/03/94/662610394.db2.gz HBFNXGALXQRNDY-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 ZINC000978180783 662610402 /nfs/dbraw/zinc/61/04/02/662610402.db2.gz OJJKRSASJRDZDA-NJMOYASZSA-N 1 1 322.409 -1.059 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000978171484 662610408 /nfs/dbraw/zinc/61/04/08/662610408.db2.gz XZSZHLXWIQNMOV-RTCCRHLQSA-N 1 1 318.381 -1.065 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC000978197627 662610560 /nfs/dbraw/zinc/61/05/60/662610560.db2.gz DDSAAVGNFMHAJG-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC000978205051 662611069 /nfs/dbraw/zinc/61/10/69/662611069.db2.gz PDBBSFABRBXYEI-HKWIRBFKSA-N 1 1 302.396 -1.294 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC000978205711 662611093 /nfs/dbraw/zinc/61/10/93/662611093.db2.gz QFPLJXXMKXWQBW-CNDDSTCGSA-N 1 1 302.396 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4n[nH]nc4n3)[C@@H]2C1 ZINC000978238856 662611607 /nfs/dbraw/zinc/61/16/07/662611607.db2.gz CFEDXNOJDIUTCH-PSVAKVPMSA-N 1 1 315.337 -1.254 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC001027600984 662611770 /nfs/dbraw/zinc/61/17/70/662611770.db2.gz OZSZQHGPPPIFPB-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC000978308530 662612475 /nfs/dbraw/zinc/61/24/75/662612475.db2.gz IWVLBGFANKZHJC-UIKWRGBMSA-N 1 1 305.338 -1.164 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001027612527 662612663 /nfs/dbraw/zinc/61/26/63/662612663.db2.gz JYDRODZWIWAMHU-LOIXOFCESA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cn[nH]c(=O)c1 ZINC000978327680 662612876 /nfs/dbraw/zinc/61/28/76/662612876.db2.gz NDKIQUYPGYVCEM-YFKTTZPYSA-N 1 1 317.349 -1.022 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cn[nH]c(=O)c1 ZINC000978327677 662612886 /nfs/dbraw/zinc/61/28/86/662612886.db2.gz NDKIQUYPGYVCEM-WISYIIOYSA-N 1 1 317.349 -1.022 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000978399350 662613170 /nfs/dbraw/zinc/61/31/70/662613170.db2.gz ZMPUPLWJKMVMCG-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027616921 662613311 /nfs/dbraw/zinc/61/33/11/662613311.db2.gz NTBXEWLUMVSDQY-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617407 662613496 /nfs/dbraw/zinc/61/34/96/662613496.db2.gz PTJULRJEZBYXOK-ONGXEEELSA-N 1 1 324.381 -1.164 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000978429376 662613646 /nfs/dbraw/zinc/61/36/46/662613646.db2.gz YRVCURQDQQWBCO-FIQHERPVSA-N 1 1 302.396 -1.293 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1C ZINC000978443561 662614023 /nfs/dbraw/zinc/61/40/23/662614023.db2.gz KHOZVLVBTBHCHD-OWUUHHOZSA-N 1 1 307.354 -1.178 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628772 662614252 /nfs/dbraw/zinc/61/42/52/662614252.db2.gz KGBRBLMYAKVCTE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000978570369 662614287 /nfs/dbraw/zinc/61/42/87/662614287.db2.gz YLTOSTJBMOOCJV-CHWFTXMASA-N 1 1 304.354 -1.091 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC000978535997 662614330 /nfs/dbraw/zinc/61/43/30/662614330.db2.gz YYJICYVOTCMKEU-RTCCRHLQSA-N 1 1 319.365 -1.566 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC000978593022 662614582 /nfs/dbraw/zinc/61/45/82/662614582.db2.gz DMDTWLXDUITNEI-KKOKHZNYSA-N 1 1 308.382 -1.495 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027639952 662614589 /nfs/dbraw/zinc/61/45/89/662614589.db2.gz IVJIDXUWHLWRIV-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@@H]2C1 ZINC000978595240 662614708 /nfs/dbraw/zinc/61/47/08/662614708.db2.gz AKKWPXSVXSIUCZ-YFKTTZPYSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978613310 662614854 /nfs/dbraw/zinc/61/48/54/662614854.db2.gz KIOQHFHQPHLKIV-KYXWUPHJSA-N 1 1 307.358 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978610787 662614955 /nfs/dbraw/zinc/61/49/55/662614955.db2.gz FZGDRAHGIIGSOD-OWUUHHOZSA-N 1 1 307.358 -1.794 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c1=O ZINC000978605175 662614983 /nfs/dbraw/zinc/61/49/83/662614983.db2.gz ZWJDNHHXVZRQOU-UIKWRGBMSA-N 1 1 308.338 -1.614 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978617406 662615157 /nfs/dbraw/zinc/61/51/57/662615157.db2.gz SYBSBUZSXQULLY-DBIOUOCHSA-N 1 1 321.385 -1.406 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978648212 662615282 /nfs/dbraw/zinc/61/52/82/662615282.db2.gz ASXRXBFPVVQFKH-FVCCEPFGSA-N 1 1 318.381 -1.105 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978652173 662615324 /nfs/dbraw/zinc/61/53/24/662615324.db2.gz HLYNCGSLCSQBEY-MWGHHZFTSA-N 1 1 319.365 -1.059 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000978637100 662615387 /nfs/dbraw/zinc/61/53/87/662615387.db2.gz QAGORGCNUXXTPX-RTCCRHLQSA-N 1 1 319.369 -1.604 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000978668809 662615508 /nfs/dbraw/zinc/61/55/08/662615508.db2.gz QZLFGMNRIJXMFO-TUAOUCFPSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)n1 ZINC000978668696 662615629 /nfs/dbraw/zinc/61/56/29/662615629.db2.gz DDXAGLJAVIIQIK-FVCCEPFGSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)n1 ZINC000978668696 662615630 /nfs/dbraw/zinc/61/56/30/662615630.db2.gz DDXAGLJAVIIQIK-FVCCEPFGSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)nn1 ZINC000978662447 662615717 /nfs/dbraw/zinc/61/57/17/662615717.db2.gz DBRZZONHAWLINU-YFKTTZPYSA-N 1 1 319.369 -1.710 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)nn1 ZINC000978662447 662615718 /nfs/dbraw/zinc/61/57/18/662615718.db2.gz DBRZZONHAWLINU-YFKTTZPYSA-N 1 1 319.369 -1.710 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)o1 ZINC000978679850 662615947 /nfs/dbraw/zinc/61/59/47/662615947.db2.gz ZYIKUZAFLRUGGM-MMWGEVLESA-N 1 1 320.353 -1.147 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)o1 ZINC000978679850 662615948 /nfs/dbraw/zinc/61/59/48/662615948.db2.gz ZYIKUZAFLRUGGM-MMWGEVLESA-N 1 1 320.353 -1.147 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978677827 662616010 /nfs/dbraw/zinc/61/60/10/662616010.db2.gz VOBORYRWNIKCRB-MMWGEVLESA-N 1 1 309.370 -1.950 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000978669750 662616030 /nfs/dbraw/zinc/61/60/30/662616030.db2.gz FPUZMDRQDSEAMX-YFKTTZPYSA-N 1 1 321.381 -1.760 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978677154 662616055 /nfs/dbraw/zinc/61/60/55/662616055.db2.gz TWXANQRYSWTTSO-MMWGEVLESA-N 1 1 320.353 -1.147 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978677154 662616057 /nfs/dbraw/zinc/61/60/57/662616057.db2.gz TWXANQRYSWTTSO-MMWGEVLESA-N 1 1 320.353 -1.147 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000978709930 662616247 /nfs/dbraw/zinc/61/62/47/662616247.db2.gz NLLPRXBADMQMGX-ROHXPCBUSA-N 1 1 308.382 -1.333 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)c(=O)n1C ZINC001027667366 662616308 /nfs/dbraw/zinc/61/63/08/662616308.db2.gz QGYDTNPSXMXFIM-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000978708994 662616429 /nfs/dbraw/zinc/61/64/29/662616429.db2.gz VUEXDOKTKIMUTJ-IEECTRCBSA-N 1 1 311.382 -1.040 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000978808427 662617034 /nfs/dbraw/zinc/61/70/34/662617034.db2.gz KSLPGWHURLFMJB-MAUMQABQSA-N 1 1 309.326 -2.636 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000978790953 662617168 /nfs/dbraw/zinc/61/71/68/662617168.db2.gz HJLMRODFUMQXNA-QEYWKRMJSA-N 1 1 323.353 -2.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675154 662617332 /nfs/dbraw/zinc/61/73/32/662617332.db2.gz QAVPJGCBVITCRA-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000978829305 662617425 /nfs/dbraw/zinc/61/74/25/662617425.db2.gz DNXRMSZRVNERGD-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CC(=O)NC(=O)C1 ZINC000978839734 662617451 /nfs/dbraw/zinc/61/74/51/662617451.db2.gz LIXUYCSXSZJPJG-CNDDSTCGSA-N 1 1 309.366 -1.284 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675633 662617516 /nfs/dbraw/zinc/61/75/16/662617516.db2.gz YUTVQWGPTVLREP-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675633 662617517 /nfs/dbraw/zinc/61/75/17/662617517.db2.gz YUTVQWGPTVLREP-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978855186 662617530 /nfs/dbraw/zinc/61/75/30/662617530.db2.gz KHSPQVVQQKHWBB-PDEGPIFNSA-N 1 1 309.366 -1.286 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027675606 662617555 /nfs/dbraw/zinc/61/75/55/662617555.db2.gz YDRMXBGLOJYPHV-SECBINFHSA-N 1 1 320.353 -1.403 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027675606 662617556 /nfs/dbraw/zinc/61/75/56/662617556.db2.gz YDRMXBGLOJYPHV-SECBINFHSA-N 1 1 320.353 -1.403 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978855314 662617726 /nfs/dbraw/zinc/61/77/26/662617726.db2.gz LFBBYAAVRMCVQY-RTCCRHLQSA-N 1 1 306.370 -1.189 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684829 662617815 /nfs/dbraw/zinc/61/78/15/662617815.db2.gz GHGIDWVZQIOXQM-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684829 662617817 /nfs/dbraw/zinc/61/78/17/662617817.db2.gz GHGIDWVZQIOXQM-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684845 662617867 /nfs/dbraw/zinc/61/78/67/662617867.db2.gz GOFQPMUFZRHODD-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684842 662617878 /nfs/dbraw/zinc/61/78/78/662617878.db2.gz GOFQPMUFZRHODD-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1nnc[nH]1 ZINC000978882462 662617937 /nfs/dbraw/zinc/61/79/37/662617937.db2.gz YTIAGAQAQHZMIF-CHWFTXMASA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978882462 662617939 /nfs/dbraw/zinc/61/79/39/662617939.db2.gz YTIAGAQAQHZMIF-CHWFTXMASA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978882462 662617941 /nfs/dbraw/zinc/61/79/41/662617941.db2.gz YTIAGAQAQHZMIF-CHWFTXMASA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978882462 662617944 /nfs/dbraw/zinc/61/79/44/662617944.db2.gz YTIAGAQAQHZMIF-CHWFTXMASA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978882462 662617947 /nfs/dbraw/zinc/61/79/47/662617947.db2.gz YTIAGAQAQHZMIF-CHWFTXMASA-N 1 1 304.354 -1.009 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692341 662618128 /nfs/dbraw/zinc/61/81/28/662618128.db2.gz GLZKKMCLCXAAMS-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692338 662618141 /nfs/dbraw/zinc/61/81/41/662618141.db2.gz GLZKKMCLCXAAMS-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnon1 ZINC000978879565 662618258 /nfs/dbraw/zinc/61/82/58/662618258.db2.gz NZRWIHDEIKQCHD-SDNRWEOFSA-N 1 1 319.321 -1.218 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000978912577 662618283 /nfs/dbraw/zinc/61/82/83/662618283.db2.gz LUCIFQNQFNTNIV-DMLMCSCLSA-N 1 1 319.365 -1.105 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978942278 662618470 /nfs/dbraw/zinc/61/84/70/662618470.db2.gz RRLBYJVOYRAVNS-PSVAKVPMSA-N 1 1 324.337 -1.204 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000978973294 662618490 /nfs/dbraw/zinc/61/84/90/662618490.db2.gz MRPVIOIMBIBZOE-RTCCRHLQSA-N 1 1 318.381 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000978942479 662618510 /nfs/dbraw/zinc/61/85/10/662618510.db2.gz SKOPCNSEAYGBKL-XWLWVQCSSA-N 1 1 318.381 -1.311 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027703409 662618659 /nfs/dbraw/zinc/61/86/59/662618659.db2.gz BVHROACWEIEOLO-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027703409 662618661 /nfs/dbraw/zinc/61/86/61/662618661.db2.gz BVHROACWEIEOLO-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979009011 662619116 /nfs/dbraw/zinc/61/91/16/662619116.db2.gz UHSVCMYDVLREEY-RVMXOQNASA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000979023567 662619488 /nfs/dbraw/zinc/61/94/88/662619488.db2.gz XRRRAERTFONNBG-RVMXOQNASA-N 1 1 320.393 -1.209 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000979051400 662619695 /nfs/dbraw/zinc/61/96/95/662619695.db2.gz YBMRJBGLAOINOD-XYYAHUGASA-N 1 1 321.381 -1.078 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)nn1 ZINC000979076873 662619704 /nfs/dbraw/zinc/61/97/04/662619704.db2.gz IYIALWLVSZLCNJ-OWUUHHOZSA-N 1 1 310.333 -1.360 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 ZINC000979050464 662619709 /nfs/dbraw/zinc/61/97/09/662619709.db2.gz BYFYZDAYFGFOPE-XWLWVQCSSA-N 1 1 319.365 -1.136 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979046468 662619763 /nfs/dbraw/zinc/61/97/63/662619763.db2.gz OZJURNSZTGFVGN-ZDEQEGDKSA-N 1 1 308.382 -1.366 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1=O ZINC000979078810 662620102 /nfs/dbraw/zinc/62/01/02/662620102.db2.gz YXYRFNVHKVPULN-PSVAKVPMSA-N 1 1 321.337 -2.121 20 0 DAADMO Cn1nnc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC000979072594 662620138 /nfs/dbraw/zinc/62/01/38/662620138.db2.gz OFFTYSSQAAMTGL-LPWJVIDDSA-N 1 1 319.413 -1.044 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC000979069343 662620205 /nfs/dbraw/zinc/62/02/05/662620205.db2.gz AEIFYTCOMDPSKU-MMWGEVLESA-N 1 1 305.375 -1.058 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979081910 662620447 /nfs/dbraw/zinc/62/04/47/662620447.db2.gz YEHBOOGXDBRRQW-YFKTTZPYSA-N 1 1 317.411 -1.382 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 ZINC000979108948 662620664 /nfs/dbraw/zinc/62/06/64/662620664.db2.gz BNWORBQNOMGEIC-MMWGEVLESA-N 1 1 309.370 -1.691 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979081906 662620715 /nfs/dbraw/zinc/62/07/15/662620715.db2.gz YEHBOOGXDBRRQW-WISYIIOYSA-N 1 1 317.411 -1.382 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979219452 662621904 /nfs/dbraw/zinc/62/19/04/662621904.db2.gz VPDYGBJQKIQKSD-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000979230314 662622253 /nfs/dbraw/zinc/62/22/53/662622253.db2.gz PHZMDXVKJOGQAN-WYUUTHIRSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979233989 662622759 /nfs/dbraw/zinc/62/27/59/662622759.db2.gz IENIBFADXUOLCR-ZJUUUORDSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC000979294382 662622797 /nfs/dbraw/zinc/62/27/97/662622797.db2.gz JXMOBGFPDWHWJJ-MWLCHTKSSA-N 1 1 322.329 -1.538 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979233984 662622826 /nfs/dbraw/zinc/62/28/26/662622826.db2.gz IENIBFADXUOLCR-NXEZZACHSA-N 1 1 310.358 -1.604 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC000979255207 662622866 /nfs/dbraw/zinc/62/28/66/662622866.db2.gz KQMYXQGLECUWLK-ZYHUDNBSSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979259194 662622959 /nfs/dbraw/zinc/62/29/59/662622959.db2.gz PIILQBBIAVESAX-RKDXNWHRSA-N 1 1 311.346 -2.209 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979338929 662623326 /nfs/dbraw/zinc/62/33/26/662623326.db2.gz IDIADZVPGDYWET-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361739 662623402 /nfs/dbraw/zinc/62/34/02/662623402.db2.gz ROZREXYOVNMASK-SCZZXKLOSA-N 1 1 322.369 -1.127 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979340410 662623417 /nfs/dbraw/zinc/62/34/17/662623417.db2.gz JUEWLJVTWQOSFR-BXKDBHETSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979316698 662623448 /nfs/dbraw/zinc/62/34/48/662623448.db2.gz UGGVMOUNACDAGQ-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO CCc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC000979363796 662623676 /nfs/dbraw/zinc/62/36/76/662623676.db2.gz WHWOMCWEVWTBLM-ZJUUUORDSA-N 1 1 324.385 -1.432 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC000979364856 662624149 /nfs/dbraw/zinc/62/41/49/662624149.db2.gz XPSABEVRBUIWBU-GXSJLCMTSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398062 662624172 /nfs/dbraw/zinc/62/41/72/662624172.db2.gz RAKQVDZRLKZRPL-VHSXEESVSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979392542 662624406 /nfs/dbraw/zinc/62/44/06/662624406.db2.gz DLFSYJPMKGBTCF-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC000979364861 662624489 /nfs/dbraw/zinc/62/44/89/662624489.db2.gz XPSABEVRBUIWBU-MWLCHTKSSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398052 662624510 /nfs/dbraw/zinc/62/45/10/662624510.db2.gz RAKQVDZRLKZRPL-NXEZZACHSA-N 1 1 320.357 -1.048 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001027790090 662624532 /nfs/dbraw/zinc/62/45/32/662624532.db2.gz DWNOXTRJPFCBNP-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979524680 662624759 /nfs/dbraw/zinc/62/47/59/662624759.db2.gz ZHNJWXOMYKBHMJ-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805121 662624910 /nfs/dbraw/zinc/62/49/10/662624910.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805121 662624913 /nfs/dbraw/zinc/62/49/13/662624913.db2.gz NOIQIXOCNBSMNB-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000979564070 662626053 /nfs/dbraw/zinc/62/60/53/662626053.db2.gz CKELMZMGHVFQOM-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979721376 662627217 /nfs/dbraw/zinc/62/72/17/662627217.db2.gz ZCYATZSZERBNMP-AXFHLTTASA-N 1 1 307.358 -1.625 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979721386 662627235 /nfs/dbraw/zinc/62/72/35/662627235.db2.gz ZCYATZSZERBNMP-HBNTYKKESA-N 1 1 307.358 -1.625 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979721383 662627467 /nfs/dbraw/zinc/62/74/67/662627467.db2.gz ZCYATZSZERBNMP-GARJFASQSA-N 1 1 307.358 -1.625 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000979777699 662627724 /nfs/dbraw/zinc/62/77/24/662627724.db2.gz XWKNFIVZCZJAKL-DDHJBXDOSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000979783614 662627727 /nfs/dbraw/zinc/62/77/27/662627727.db2.gz DNXRMSZRVNERGD-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027835094 662627750 /nfs/dbraw/zinc/62/77/50/662627750.db2.gz REUSODMBBMDNJI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027835094 662627753 /nfs/dbraw/zinc/62/77/53/662627753.db2.gz REUSODMBBMDNJI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCCO1 ZINC001010040361 662628655 /nfs/dbraw/zinc/62/86/55/662628655.db2.gz XNSOURYQZKOWJZ-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCCO1 ZINC001010040361 662628656 /nfs/dbraw/zinc/62/86/56/662628656.db2.gz XNSOURYQZKOWJZ-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCCO1 ZINC001010040362 662628795 /nfs/dbraw/zinc/62/87/95/662628795.db2.gz XNSOURYQZKOWJZ-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCCO1 ZINC001010040362 662628798 /nfs/dbraw/zinc/62/87/98/662628798.db2.gz XNSOURYQZKOWJZ-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000979899913 662629049 /nfs/dbraw/zinc/62/90/49/662629049.db2.gz BJABMEZCUUUBBC-BJDJZHNGSA-N 1 1 324.381 -1.654 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)C1 ZINC001027848480 662629137 /nfs/dbraw/zinc/62/91/37/662629137.db2.gz UMRXTXVWSUJVEX-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)C1 ZINC001027848480 662629138 /nfs/dbraw/zinc/62/91/38/662629138.db2.gz UMRXTXVWSUJVEX-STQMWFEESA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000979899916 662629323 /nfs/dbraw/zinc/62/93/23/662629323.db2.gz BJABMEZCUUUBBC-KKOKHZNYSA-N 1 1 324.381 -1.654 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027858868 662630955 /nfs/dbraw/zinc/63/09/55/662630955.db2.gz IMXYJMLRCHUKDN-VHSXEESVSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027858868 662630956 /nfs/dbraw/zinc/63/09/56/662630956.db2.gz IMXYJMLRCHUKDN-VHSXEESVSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC001027857840 662631143 /nfs/dbraw/zinc/63/11/43/662631143.db2.gz CLLOHPMFTZRGDB-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC001027857840 662631144 /nfs/dbraw/zinc/63/11/44/662631144.db2.gz CLLOHPMFTZRGDB-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)nn1 ZINC001027862915 662631450 /nfs/dbraw/zinc/63/14/50/662631450.db2.gz ZNMKVJCKDFIKBD-KOLCDFICSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)nn1 ZINC001027862915 662631454 /nfs/dbraw/zinc/63/14/54/662631454.db2.gz ZNMKVJCKDFIKBD-KOLCDFICSA-N 1 1 320.353 -1.186 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077419 662631889 /nfs/dbraw/zinc/63/18/89/662631889.db2.gz HKETVKHRFGIWSS-VXGBXAGGSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077419 662631890 /nfs/dbraw/zinc/63/18/90/662631890.db2.gz HKETVKHRFGIWSS-VXGBXAGGSA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001027867136 662632098 /nfs/dbraw/zinc/63/20/98/662632098.db2.gz MAISKHQTJRJBTJ-NXEZZACHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001027867136 662632099 /nfs/dbraw/zinc/63/20/99/662632099.db2.gz MAISKHQTJRJBTJ-NXEZZACHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@@H]3C2)c1=O ZINC000980081464 662632294 /nfs/dbraw/zinc/63/22/94/662632294.db2.gz DIIZCBZPWPWOJP-RWMBFGLXSA-N 1 1 323.397 -1.209 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001010083358 662632460 /nfs/dbraw/zinc/63/24/60/662632460.db2.gz XHHVVSJOIJSLGR-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001010083358 662632461 /nfs/dbraw/zinc/63/24/61/662632461.db2.gz XHHVVSJOIJSLGR-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)nn1 ZINC001027876970 662632610 /nfs/dbraw/zinc/63/26/10/662632610.db2.gz AMYIJRKKMIIRCW-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(N)=O)nn1 ZINC001027876970 662632612 /nfs/dbraw/zinc/63/26/12/662632612.db2.gz AMYIJRKKMIIRCW-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000980112257 662632737 /nfs/dbraw/zinc/63/27/37/662632737.db2.gz FJXOZTMLHBLIOY-VQXHTEKXSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000980112257 662632738 /nfs/dbraw/zinc/63/27/38/662632738.db2.gz FJXOZTMLHBLIOY-VQXHTEKXSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000980112253 662632796 /nfs/dbraw/zinc/63/27/96/662632796.db2.gz FJXOZTMLHBLIOY-ILDUYXDCSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000980112253 662632797 /nfs/dbraw/zinc/63/27/97/662632797.db2.gz FJXOZTMLHBLIOY-ILDUYXDCSA-N 1 1 312.370 -1.654 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC000980146240 662632988 /nfs/dbraw/zinc/63/29/88/662632988.db2.gz HJZFRMIGKYXSFI-KXUCPTDWSA-N 1 1 307.358 -1.474 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC000980146244 662633051 /nfs/dbraw/zinc/63/30/51/662633051.db2.gz HJZFRMIGKYXSFI-LPEHRKFASA-N 1 1 307.358 -1.474 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090908 662633164 /nfs/dbraw/zinc/63/31/64/662633164.db2.gz YHZVZXFPFFQLJD-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090908 662633166 /nfs/dbraw/zinc/63/31/66/662633166.db2.gz YHZVZXFPFFQLJD-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@H]2C1 ZINC000980155948 662633431 /nfs/dbraw/zinc/63/34/31/662633431.db2.gz VDZDVVIHMFDJCO-GARJFASQSA-N 1 1 321.385 -1.214 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C1 ZINC000980183103 662633658 /nfs/dbraw/zinc/63/36/58/662633658.db2.gz DDXUBZLIBLHQEW-IJLUTSLNSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980171582 662633669 /nfs/dbraw/zinc/63/36/69/662633669.db2.gz MLAWTEMRTBNDQW-MELADBBJSA-N 1 1 324.425 -1.373 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)n1 ZINC000980146247 662633693 /nfs/dbraw/zinc/63/36/93/662633693.db2.gz HJZFRMIGKYXSFI-OPRDCNLKSA-N 1 1 307.358 -1.474 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980171576 662633781 /nfs/dbraw/zinc/63/37/81/662633781.db2.gz MLAWTEMRTBNDQW-BFHYXJOUSA-N 1 1 324.425 -1.373 20 0 DAADMO O=C(CN1CCCC1=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010109082 662633948 /nfs/dbraw/zinc/63/39/48/662633948.db2.gz WKGWEOXFUJHMGE-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cncn3)C[C@H]2C1 ZINC000980239204 662634677 /nfs/dbraw/zinc/63/46/77/662634677.db2.gz YKTFDIOKUFTYAZ-SDDRHHMPSA-N 1 1 306.370 -1.020 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980300133 662634854 /nfs/dbraw/zinc/63/48/54/662634854.db2.gz NPVFSEVJVKVUCL-NEPJUHHUSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980300133 662634857 /nfs/dbraw/zinc/63/48/57/662634857.db2.gz NPVFSEVJVKVUCL-NEPJUHHUSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353365 662635378 /nfs/dbraw/zinc/63/53/78/662635378.db2.gz QXQFBFJOBUUMSA-WDEREUQCSA-N 1 1 322.365 -1.443 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC000980353364 662635514 /nfs/dbraw/zinc/63/55/14/662635514.db2.gz QXQFBFJOBUUMSA-QWRGUYRKSA-N 1 1 322.365 -1.443 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980339191 662635561 /nfs/dbraw/zinc/63/55/61/662635561.db2.gz ORTUKOMDOWKUHG-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cncn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000980340246 662635565 /nfs/dbraw/zinc/63/55/65/662635565.db2.gz ZAMVUJPCOPHWLN-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC000980353363 662635608 /nfs/dbraw/zinc/63/56/08/662635608.db2.gz QXQFBFJOBUUMSA-MNOVXSKESA-N 1 1 322.365 -1.443 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)[C@@H]1CCNC1=O ZINC000980353360 662635651 /nfs/dbraw/zinc/63/56/51/662635651.db2.gz QXQFBFJOBUUMSA-GHMZBOCLSA-N 1 1 322.365 -1.443 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000980350795 662635860 /nfs/dbraw/zinc/63/58/60/662635860.db2.gz BCQPXAUXIJJCIF-BJDJZHNGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980345352 662635882 /nfs/dbraw/zinc/63/58/82/662635882.db2.gz BCVFCSWMPUEJAP-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980345352 662635883 /nfs/dbraw/zinc/63/58/83/662635883.db2.gz BCVFCSWMPUEJAP-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980351318 662635918 /nfs/dbraw/zinc/63/59/18/662635918.db2.gz ZAZXOFOPXZXDLV-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000980350797 662635968 /nfs/dbraw/zinc/63/59/68/662635968.db2.gz BCQPXAUXIJJCIF-DDHJBXDOSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980351311 662635990 /nfs/dbraw/zinc/63/59/90/662635990.db2.gz YTURLTZVMXBGHZ-MRVPVSSYSA-N 1 1 306.326 -1.793 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980351311 662635991 /nfs/dbraw/zinc/63/59/91/662635991.db2.gz YTURLTZVMXBGHZ-MRVPVSSYSA-N 1 1 306.326 -1.793 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346853 662636006 /nfs/dbraw/zinc/63/60/06/662636006.db2.gz RYZLJDOOUVQSOH-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1=O ZINC000980349601 662636034 /nfs/dbraw/zinc/63/60/34/662636034.db2.gz JEZCSFHFGVMAPW-VIFPVBQESA-N 1 1 311.342 -2.102 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1=O ZINC000980349601 662636035 /nfs/dbraw/zinc/63/60/35/662636035.db2.gz JEZCSFHFGVMAPW-VIFPVBQESA-N 1 1 311.342 -2.102 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346006 662636040 /nfs/dbraw/zinc/63/60/40/662636040.db2.gz KFKPILKHJOONFM-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000980355267 662636173 /nfs/dbraw/zinc/63/61/73/662636173.db2.gz PHZMDXVKJOGQAN-FIQHERPVSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980484254 662636603 /nfs/dbraw/zinc/63/66/03/662636603.db2.gz YIIQVNSOYSGAKR-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000980471898 662636670 /nfs/dbraw/zinc/63/66/70/662636670.db2.gz PZQKQIQRERISLG-QWRGUYRKSA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000980471898 662636673 /nfs/dbraw/zinc/63/66/73/662636673.db2.gz PZQKQIQRERISLG-QWRGUYRKSA-N 1 1 306.370 -1.142 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980385334 662636874 /nfs/dbraw/zinc/63/68/74/662636874.db2.gz CCFHAZLIZTUHLW-BDAKNGLRSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnnn1C ZINC000980553136 662637071 /nfs/dbraw/zinc/63/70/71/662637071.db2.gz LTGGIDZTTGNPFQ-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000980530729 662637177 /nfs/dbraw/zinc/63/71/77/662637177.db2.gz KHKWIGJXOIMMLR-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000980530729 662637178 /nfs/dbraw/zinc/63/71/78/662637178.db2.gz KHKWIGJXOIMMLR-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)n(C)c1=O ZINC000980499959 662637269 /nfs/dbraw/zinc/63/72/69/662637269.db2.gz BGKHPMBPMSRZRW-WDEREUQCSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1ncn(C)n1 ZINC000980562201 662637689 /nfs/dbraw/zinc/63/76/89/662637689.db2.gz MXCXZLSMVHGRCQ-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000980673577 662637757 /nfs/dbraw/zinc/63/77/57/662637757.db2.gz GVVRHVPXADDSPH-BDAKNGLRSA-N 1 1 320.361 -1.626 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679444 662637873 /nfs/dbraw/zinc/63/78/73/662637873.db2.gz OCGOKWXDXPLVAR-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679444 662637876 /nfs/dbraw/zinc/63/78/76/662637876.db2.gz OCGOKWXDXPLVAR-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn[nH]n1 ZINC000980636839 662637940 /nfs/dbraw/zinc/63/79/40/662637940.db2.gz FUMNBXWRSFZEDT-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnn(C)n1 ZINC000980719716 662638281 /nfs/dbraw/zinc/63/82/81/662638281.db2.gz VCVUTTSJKLKJTM-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980685530 662638410 /nfs/dbraw/zinc/63/84/10/662638410.db2.gz WHBRXGOEZDXUTK-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980685530 662638411 /nfs/dbraw/zinc/63/84/11/662638411.db2.gz WHBRXGOEZDXUTK-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027977996 662639118 /nfs/dbraw/zinc/63/91/18/662639118.db2.gz DZIIAXXTLIRTMR-VHSXEESVSA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027977996 662639120 /nfs/dbraw/zinc/63/91/20/662639120.db2.gz DZIIAXXTLIRTMR-VHSXEESVSA-N 1 1 322.369 -1.388 20 0 DAADMO Cn1nnnc1CN1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980894295 662640289 /nfs/dbraw/zinc/64/02/89/662640289.db2.gz VTBJIKYDRYGQAP-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnnc1CN1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894295 662640291 /nfs/dbraw/zinc/64/02/91/662640291.db2.gz VTBJIKYDRYGQAP-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000980889821 662640374 /nfs/dbraw/zinc/64/03/74/662640374.db2.gz DSSHTHXEEWDCFX-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000980889821 662640377 /nfs/dbraw/zinc/64/03/77/662640377.db2.gz DSSHTHXEEWDCFX-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000980897997 662640512 /nfs/dbraw/zinc/64/05/12/662640512.db2.gz GNEKGZXDWKYKAZ-NXEZZACHSA-N 1 1 320.361 -1.586 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981001262 662640812 /nfs/dbraw/zinc/64/08/12/662640812.db2.gz AYBJJTRFXXLMPP-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981001262 662640813 /nfs/dbraw/zinc/64/08/13/662640813.db2.gz AYBJJTRFXXLMPP-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981073335 662641164 /nfs/dbraw/zinc/64/11/64/662641164.db2.gz FNDFZRLLVBXWBP-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981073335 662641166 /nfs/dbraw/zinc/64/11/66/662641166.db2.gz FNDFZRLLVBXWBP-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)C1=O ZINC000981016216 662641414 /nfs/dbraw/zinc/64/14/14/662641414.db2.gz ZGHDRMXVWYNMCY-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)C1=O ZINC000981016216 662641415 /nfs/dbraw/zinc/64/14/15/662641415.db2.gz ZGHDRMXVWYNMCY-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000981092672 662641618 /nfs/dbraw/zinc/64/16/18/662641618.db2.gz XFWAKFOJNVOOGH-VHSXEESVSA-N 1 1 320.361 -1.586 20 0 DAADMO NC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037343 662641915 /nfs/dbraw/zinc/64/19/15/662641915.db2.gz VIIYUTMQHMIHMT-WULFKBJJSA-N 1 1 322.409 -1.085 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037902 662642038 /nfs/dbraw/zinc/64/20/38/662642038.db2.gz KITZMJZNZDAKGE-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037902 662642040 /nfs/dbraw/zinc/64/20/40/662642040.db2.gz KITZMJZNZDAKGE-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO NC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037342 662642100 /nfs/dbraw/zinc/64/21/00/662642100.db2.gz VIIYUTMQHMIHMT-LGESCRJUSA-N 1 1 322.409 -1.085 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037724 662642112 /nfs/dbraw/zinc/64/21/12/662642112.db2.gz FFNDGGIQTBACCZ-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037724 662642113 /nfs/dbraw/zinc/64/21/13/662642113.db2.gz FFNDGGIQTBACCZ-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037903 662642143 /nfs/dbraw/zinc/64/21/43/662642143.db2.gz KITZMJZNZDAKGE-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037903 662642144 /nfs/dbraw/zinc/64/21/44/662642144.db2.gz KITZMJZNZDAKGE-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)ncc1=O ZINC001028037884 662642162 /nfs/dbraw/zinc/64/21/62/662642162.db2.gz JVOMGKLREOMJFS-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)ncc1=O ZINC001028037884 662642163 /nfs/dbraw/zinc/64/21/63/662642163.db2.gz JVOMGKLREOMJFS-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001028072863 662643028 /nfs/dbraw/zinc/64/30/28/662643028.db2.gz OELSVPMQYWQVNG-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CCC[N@H+](CCCO)CC1 ZINC000981282971 662643507 /nfs/dbraw/zinc/64/35/07/662643507.db2.gz MLZVEFPWUZMNHS-UHFFFAOYSA-N 1 1 319.427 -1.061 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076323 662643757 /nfs/dbraw/zinc/64/37/57/662643757.db2.gz LTDSNGGPNQTOEF-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076323 662643758 /nfs/dbraw/zinc/64/37/58/662643758.db2.gz LTDSNGGPNQTOEF-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCn2cncn2)NC1=O ZINC001028076005 662643798 /nfs/dbraw/zinc/64/37/98/662643798.db2.gz HARWNFIHNVFVGL-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000981274485 662643808 /nfs/dbraw/zinc/64/38/08/662643808.db2.gz AETPCXLJCBQJJG-DTWKUNHWSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)n1 ZINC001028078706 662644014 /nfs/dbraw/zinc/64/40/14/662644014.db2.gz PXDMBVGZBAYWAY-JTQLQIEISA-N 1 1 322.373 -1.571 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981321403 662644070 /nfs/dbraw/zinc/64/40/70/662644070.db2.gz BIIYLRMRUPQATH-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981321403 662644071 /nfs/dbraw/zinc/64/40/71/662644071.db2.gz BIIYLRMRUPQATH-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028078843 662644228 /nfs/dbraw/zinc/64/42/28/662644228.db2.gz SYLQKRDUUWBLQQ-RKDXNWHRSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028078843 662644229 /nfs/dbraw/zinc/64/42/29/662644229.db2.gz SYLQKRDUUWBLQQ-RKDXNWHRSA-N 1 1 321.341 -1.791 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981358759 662644464 /nfs/dbraw/zinc/64/44/64/662644464.db2.gz VCHDHGWUZIGAFA-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981358759 662644466 /nfs/dbraw/zinc/64/44/66/662644466.db2.gz VCHDHGWUZIGAFA-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981321406 662644627 /nfs/dbraw/zinc/64/46/27/662644627.db2.gz BIIYLRMRUPQATH-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981321406 662644629 /nfs/dbraw/zinc/64/46/29/662644629.db2.gz BIIYLRMRUPQATH-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000981494875 662645053 /nfs/dbraw/zinc/64/50/53/662645053.db2.gz NGWPHYMLSJVEKR-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000981566945 662645269 /nfs/dbraw/zinc/64/52/69/662645269.db2.gz PWEKFJKHNXNKFX-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981532864 662645367 /nfs/dbraw/zinc/64/53/67/662645367.db2.gz IVTPKEGGUABURB-UHFFFAOYSA-N 1 1 307.358 -1.022 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981532864 662645369 /nfs/dbraw/zinc/64/53/69/662645369.db2.gz IVTPKEGGUABURB-UHFFFAOYSA-N 1 1 307.358 -1.022 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001028109669 662645753 /nfs/dbraw/zinc/64/57/53/662645753.db2.gz LTGDPHGIYKCDMD-MNOVXSKESA-N 1 1 324.385 -1.726 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1 ZINC000981686191 662646324 /nfs/dbraw/zinc/64/63/24/662646324.db2.gz MCVASKBVSWVNOQ-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1 ZINC000981686191 662646325 /nfs/dbraw/zinc/64/63/25/662646325.db2.gz MCVASKBVSWVNOQ-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1 ZINC000981686192 662646369 /nfs/dbraw/zinc/64/63/69/662646369.db2.gz MCVASKBVSWVNOQ-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1 ZINC000981686192 662646370 /nfs/dbraw/zinc/64/63/70/662646370.db2.gz MCVASKBVSWVNOQ-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)NC1=O ZINC000981750364 662646608 /nfs/dbraw/zinc/64/66/08/662646608.db2.gz AACMWRSZJDVOTH-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)NC1=O ZINC000981750364 662646610 /nfs/dbraw/zinc/64/66/10/662646610.db2.gz AACMWRSZJDVOTH-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981742359 662646733 /nfs/dbraw/zinc/64/67/33/662646733.db2.gz LFKNOVPRIMYFMI-WDEREUQCSA-N 1 1 322.365 -1.092 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981743378 662646741 /nfs/dbraw/zinc/64/67/41/662646741.db2.gz YSXJSDIUFLMENF-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750645 662646871 /nfs/dbraw/zinc/64/68/71/662646871.db2.gz FPDZTLRFOWVOGH-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750645 662646872 /nfs/dbraw/zinc/64/68/72/662646872.db2.gz FPDZTLRFOWVOGH-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000981725920 662646883 /nfs/dbraw/zinc/64/68/83/662646883.db2.gz AQNYSAJSXGIWDV-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000981725920 662646884 /nfs/dbraw/zinc/64/68/84/662646884.db2.gz AQNYSAJSXGIWDV-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981749880 662647180 /nfs/dbraw/zinc/64/71/80/662647180.db2.gz LKASWJPLGSBZGB-LBPRGKRZSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981770692 662647428 /nfs/dbraw/zinc/64/74/28/662647428.db2.gz AKYMTTOOLUILMW-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981770739 662647536 /nfs/dbraw/zinc/64/75/36/662647536.db2.gz DKPLWKOUEWRMGV-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819270 662647599 /nfs/dbraw/zinc/64/75/99/662647599.db2.gz VTXUWGULVBZBPX-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819270 662647601 /nfs/dbraw/zinc/64/76/01/662647601.db2.gz VTXUWGULVBZBPX-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)C1=O ZINC000981790333 662647723 /nfs/dbraw/zinc/64/77/23/662647723.db2.gz RSHMUKJLSVVUAB-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)C1=O ZINC000981790333 662647724 /nfs/dbraw/zinc/64/77/24/662647724.db2.gz RSHMUKJLSVVUAB-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134271 662648001 /nfs/dbraw/zinc/64/80/01/662648001.db2.gz QLYPLUGTRVPHPE-GARJFASQSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134271 662648003 /nfs/dbraw/zinc/64/80/03/662648003.db2.gz QLYPLUGTRVPHPE-GARJFASQSA-N 1 1 312.370 -1.654 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001028140598 662648097 /nfs/dbraw/zinc/64/80/97/662648097.db2.gz SYHHVVVCCFFDDC-TUAOUCFPSA-N 1 1 306.370 -1.020 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852774 662648447 /nfs/dbraw/zinc/64/84/47/662648447.db2.gz GQZFVAGFNHCRIF-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852774 662648448 /nfs/dbraw/zinc/64/84/48/662648448.db2.gz GQZFVAGFNHCRIF-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)CC1=O ZINC000981853328 662648624 /nfs/dbraw/zinc/64/86/24/662648624.db2.gz LFQYPJQCSHHPIO-UHFFFAOYSA-N 1 1 324.425 -1.323 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981853387 662648676 /nfs/dbraw/zinc/64/86/76/662648676.db2.gz ORCIUGJWPJTIDM-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981850907 662648741 /nfs/dbraw/zinc/64/87/41/662648741.db2.gz WGJPNKROHXPKPG-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981850907 662648742 /nfs/dbraw/zinc/64/87/42/662648742.db2.gz WGJPNKROHXPKPG-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001028140980 662648760 /nfs/dbraw/zinc/64/87/60/662648760.db2.gz CCBPPMPWNANFKQ-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001028140980 662648761 /nfs/dbraw/zinc/64/87/61/662648761.db2.gz CCBPPMPWNANFKQ-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CCC[N@@H+](CCCO)C3)c1=O ZINC000981861342 662648876 /nfs/dbraw/zinc/64/88/76/662648876.db2.gz NBXFUELPBJOBKJ-UHFFFAOYSA-N 1 1 323.397 -1.111 20 0 DAADMO NC(=O)C(=O)N1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000981862125 662648918 /nfs/dbraw/zinc/64/89/18/662648918.db2.gz VMWNEDCYHBGNIF-NSHDSACASA-N 1 1 312.370 -2.011 20 0 DAADMO NC(=O)C(=O)N1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000981862125 662648922 /nfs/dbraw/zinc/64/89/22/662648922.db2.gz VMWNEDCYHBGNIF-NSHDSACASA-N 1 1 312.370 -2.011 20 0 DAADMO NC(=O)C(=O)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981862011 662649091 /nfs/dbraw/zinc/64/90/91/662649091.db2.gz QDAVBHYCGSISLA-UHFFFAOYSA-N 1 1 311.342 -2.052 20 0 DAADMO NC(=O)C(=O)N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981862011 662649092 /nfs/dbraw/zinc/64/90/92/662649092.db2.gz QDAVBHYCGSISLA-UHFFFAOYSA-N 1 1 311.342 -2.052 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001028150518 662649369 /nfs/dbraw/zinc/64/93/69/662649369.db2.gz SRQSXCUGHVFYHE-QWRGUYRKSA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001028150518 662649370 /nfs/dbraw/zinc/64/93/70/662649370.db2.gz SRQSXCUGHVFYHE-QWRGUYRKSA-N 1 1 321.385 -1.309 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981933208 662649568 /nfs/dbraw/zinc/64/95/68/662649568.db2.gz NEUBLJRBNLQXKU-UHFFFAOYSA-N 1 1 324.425 -1.275 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934409 662649651 /nfs/dbraw/zinc/64/96/51/662649651.db2.gz CZDYQNMSQPXUBM-GHMZBOCLSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934409 662649652 /nfs/dbraw/zinc/64/96/52/662649652.db2.gz CZDYQNMSQPXUBM-GHMZBOCLSA-N 1 1 323.397 -1.192 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)ncc1=O ZINC000981901657 662649662 /nfs/dbraw/zinc/64/96/62/662649662.db2.gz QVIVDNIWUOCQOR-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)ncc1=O ZINC000981901657 662649663 /nfs/dbraw/zinc/64/96/63/662649663.db2.gz QVIVDNIWUOCQOR-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H]2CCNC2=O)C3)n1 ZINC000981946765 662650399 /nfs/dbraw/zinc/65/03/99/662650399.db2.gz KHRWNDHBZMRCHJ-SNVBAGLBSA-N 1 1 319.369 -1.363 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CCC[N@H+]([C@@H]2CCNC2=O)C3)n1 ZINC000981946765 662650403 /nfs/dbraw/zinc/65/04/03/662650403.db2.gz KHRWNDHBZMRCHJ-SNVBAGLBSA-N 1 1 319.369 -1.363 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171372 662650454 /nfs/dbraw/zinc/65/04/54/662650454.db2.gz FWILBZUUYUXTSP-BDAKNGLRSA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171372 662650458 /nfs/dbraw/zinc/65/04/58/662650458.db2.gz FWILBZUUYUXTSP-BDAKNGLRSA-N 1 1 311.342 -2.089 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001038158585 662650477 /nfs/dbraw/zinc/65/04/77/662650477.db2.gz SOKNYBZDIGLDSX-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001038158585 662650482 /nfs/dbraw/zinc/65/04/82/662650482.db2.gz SOKNYBZDIGLDSX-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)C1=O ZINC000981951554 662650492 /nfs/dbraw/zinc/65/04/92/662650492.db2.gz ZWEASFRVEFPSDP-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)C1=O ZINC000981951554 662650494 /nfs/dbraw/zinc/65/04/94/662650494.db2.gz ZWEASFRVEFPSDP-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975644 662650825 /nfs/dbraw/zinc/65/08/25/662650825.db2.gz ZUBXGRZOHSAMSH-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975416 662650834 /nfs/dbraw/zinc/65/08/34/662650834.db2.gz RIBAMMLVOUFJJP-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981967693 662650883 /nfs/dbraw/zinc/65/08/83/662650883.db2.gz GRHRSKJSYQVEIF-NEPJUHHUSA-N 1 1 306.370 -1.066 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981972101 662650913 /nfs/dbraw/zinc/65/09/13/662650913.db2.gz NUJQMNWWOXYGQO-SECBINFHSA-N 1 1 308.338 -1.799 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198083 662651213 /nfs/dbraw/zinc/65/12/13/662651213.db2.gz XKVXDGPUPIGVJX-PSASIEDQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198083 662651214 /nfs/dbraw/zinc/65/12/14/662651214.db2.gz XKVXDGPUPIGVJX-PSASIEDQSA-N 1 1 310.354 -1.506 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)C1CC2(C1)NC(=O)NC2=O ZINC001028197053 662651219 /nfs/dbraw/zinc/65/12/19/662651219.db2.gz WNEYAJUFKAADOK-LOIXOFCESA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC000981979027 662651275 /nfs/dbraw/zinc/65/12/75/662651275.db2.gz LPSDTVPWFPDTLR-UHFFFAOYSA-N 1 1 309.370 -1.579 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCO)C1CC2(C1)NC(=O)NC2=O ZINC001028197067 662651421 /nfs/dbraw/zinc/65/14/21/662651421.db2.gz XCYUNFWULMCCGW-OPASDULOSA-N 1 1 310.354 -1.453 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015480 662651577 /nfs/dbraw/zinc/65/15/77/662651577.db2.gz JAGWWXCZQBBTLZ-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015480 662651579 /nfs/dbraw/zinc/65/15/79/662651579.db2.gz JAGWWXCZQBBTLZ-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201586 662651625 /nfs/dbraw/zinc/65/16/25/662651625.db2.gz HUYULMHSUBMZRI-GHMZBOCLSA-N 1 1 324.381 -1.116 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028198598 662651668 /nfs/dbraw/zinc/65/16/68/662651668.db2.gz LNMGSKFYHSKAIU-KOLCDFICSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028198598 662651669 /nfs/dbraw/zinc/65/16/69/662651669.db2.gz LNMGSKFYHSKAIU-KOLCDFICSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028198597 662651725 /nfs/dbraw/zinc/65/17/25/662651725.db2.gz LNMGSKFYHSKAIU-GXSJLCMTSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028198597 662651727 /nfs/dbraw/zinc/65/17/27/662651727.db2.gz LNMGSKFYHSKAIU-GXSJLCMTSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015692 662651859 /nfs/dbraw/zinc/65/18/59/662651859.db2.gz UPXOAFHZOGQGLL-MXWKQRLJSA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015692 662651860 /nfs/dbraw/zinc/65/18/60/662651860.db2.gz UPXOAFHZOGQGLL-MXWKQRLJSA-N 1 1 308.382 -1.094 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000957921897 662652061 /nfs/dbraw/zinc/65/20/61/662652061.db2.gz AEKUDPOWANEQCY-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000957921897 662652062 /nfs/dbraw/zinc/65/20/62/662652062.db2.gz AEKUDPOWANEQCY-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000957921898 662652223 /nfs/dbraw/zinc/65/22/23/662652223.db2.gz AEKUDPOWANEQCY-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000957921898 662652225 /nfs/dbraw/zinc/65/22/25/662652225.db2.gz AEKUDPOWANEQCY-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982082966 662652357 /nfs/dbraw/zinc/65/23/57/662652357.db2.gz DCSLBKMWVQZOPV-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982082966 662652358 /nfs/dbraw/zinc/65/23/58/662652358.db2.gz DCSLBKMWVQZOPV-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1=O ZINC000982143858 662652640 /nfs/dbraw/zinc/65/26/40/662652640.db2.gz IUADLNBLDDGFQP-UHFFFAOYSA-N 1 1 324.381 -1.203 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC000982166094 662652704 /nfs/dbraw/zinc/65/27/04/662652704.db2.gz ZDJIYWBBXVRVJF-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000982122573 662652730 /nfs/dbraw/zinc/65/27/30/662652730.db2.gz GYBBQMNMKICAOI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000982122573 662652731 /nfs/dbraw/zinc/65/27/31/662652731.db2.gz GYBBQMNMKICAOI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N1CCC[N@H+](CCO)CC1)C1(n2cnnn2)CCOCC1 ZINC000982156253 662652805 /nfs/dbraw/zinc/65/28/05/662652805.db2.gz PIPJWJMRRQSQIC-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141509 662652868 /nfs/dbraw/zinc/65/28/68/662652868.db2.gz HBHPQRSBTMMEES-NSHDSACASA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000982144054 662652873 /nfs/dbraw/zinc/65/28/73/662652873.db2.gz UKVCFENQINNYSZ-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000982144054 662652875 /nfs/dbraw/zinc/65/28/75/662652875.db2.gz UKVCFENQINNYSZ-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201539 662652991 /nfs/dbraw/zinc/65/29/91/662652991.db2.gz SQDCHLRHXMURGT-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201539 662652992 /nfs/dbraw/zinc/65/29/92/662652992.db2.gz SQDCHLRHXMURGT-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245604 662653006 /nfs/dbraw/zinc/65/30/06/662653006.db2.gz LONOXVTYZHCSGP-WQVCFCJDSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000982240272 662653095 /nfs/dbraw/zinc/65/30/95/662653095.db2.gz HOAXGHWRVWXNHM-NZVBXONLSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982197002 662653206 /nfs/dbraw/zinc/65/32/06/662653206.db2.gz JTIRGNBVGGGKJI-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982197002 662653209 /nfs/dbraw/zinc/65/32/09/662653209.db2.gz JTIRGNBVGGGKJI-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982240271 662653219 /nfs/dbraw/zinc/65/32/19/662653219.db2.gz HOAXGHWRVWXNHM-KMUNFCNLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnnn3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982203698 662653234 /nfs/dbraw/zinc/65/32/34/662653234.db2.gz QFJNEZATEJWPEZ-BETUJISGSA-N 1 1 307.358 -1.671 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnnn3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982203698 662653235 /nfs/dbraw/zinc/65/32/35/662653235.db2.gz QFJNEZATEJWPEZ-BETUJISGSA-N 1 1 307.358 -1.671 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958374330 662654090 /nfs/dbraw/zinc/65/40/90/662654090.db2.gz YMOMELKBSOAYMD-LPEHRKFASA-N 1 1 321.324 -1.388 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958374330 662654092 /nfs/dbraw/zinc/65/40/92/662654092.db2.gz YMOMELKBSOAYMD-LPEHRKFASA-N 1 1 321.324 -1.388 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001028254362 662655905 /nfs/dbraw/zinc/65/59/05/662655905.db2.gz SSXXOKROCLTFHU-MNOVXSKESA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001028254362 662655909 /nfs/dbraw/zinc/65/59/09/662655909.db2.gz SSXXOKROCLTFHU-MNOVXSKESA-N 1 1 311.386 -1.015 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001028262388 662656359 /nfs/dbraw/zinc/65/63/59/662656359.db2.gz SOUJIEWKGMGNIV-VIFPVBQESA-N 1 1 306.326 -1.396 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301841 662665202 /nfs/dbraw/zinc/66/52/02/662665202.db2.gz JUCXLUIMIZIEEU-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301841 662665204 /nfs/dbraw/zinc/66/52/04/662665204.db2.gz JUCXLUIMIZIEEU-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937001954 662666908 /nfs/dbraw/zinc/66/69/08/662666908.db2.gz PBVKWDPBASNISX-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937001954 662666909 /nfs/dbraw/zinc/66/69/09/662666909.db2.gz PBVKWDPBASNISX-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312149 662666975 /nfs/dbraw/zinc/66/69/75/662666975.db2.gz DVKACUOWDPLDFE-VIFPVBQESA-N 1 1 323.353 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312149 662666976 /nfs/dbraw/zinc/66/69/76/662666976.db2.gz DVKACUOWDPLDFE-VIFPVBQESA-N 1 1 323.353 -1.574 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937001952 662667045 /nfs/dbraw/zinc/66/70/45/662667045.db2.gz PBVKWDPBASNISX-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937001952 662667047 /nfs/dbraw/zinc/66/70/47/662667047.db2.gz PBVKWDPBASNISX-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937002880 662667124 /nfs/dbraw/zinc/66/71/24/662667124.db2.gz WBPYBPLRSSIMPM-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937002880 662667126 /nfs/dbraw/zinc/66/71/26/662667126.db2.gz WBPYBPLRSSIMPM-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326572 662667552 /nfs/dbraw/zinc/66/75/52/662667552.db2.gz VZHBHMKBQIOQLR-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326572 662667554 /nfs/dbraw/zinc/66/75/54/662667554.db2.gz VZHBHMKBQIOQLR-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334661 662668675 /nfs/dbraw/zinc/66/86/75/662668675.db2.gz FUEHNJOGVFJCLG-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335270 662668682 /nfs/dbraw/zinc/66/86/82/662668682.db2.gz RAZZQEBRJRYAAA-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335409 662668956 /nfs/dbraw/zinc/66/89/56/662668956.db2.gz UUGJSQJYMNELRP-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336648 662669122 /nfs/dbraw/zinc/66/91/22/662669122.db2.gz AQCOVJBJAOYNIU-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336648 662669126 /nfs/dbraw/zinc/66/91/26/662669126.db2.gz AQCOVJBJAOYNIU-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498338 662671060 /nfs/dbraw/zinc/67/10/60/662671060.db2.gz WZETYBKSHREEKG-KMUNFCNLSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982504496 662671291 /nfs/dbraw/zinc/67/12/91/662671291.db2.gz WVUZKNFRYAFJEA-NZVBXONLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@]3(C)CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1=O ZINC000982504457 662671452 /nfs/dbraw/zinc/67/14/52/662671452.db2.gz WBARXXMKYQBUAS-KMUNFCNLSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CCN1CCNC1=O)C2 ZINC000982503551 662671539 /nfs/dbraw/zinc/67/15/39/662671539.db2.gz OOCGGZLGGCIFIW-GASCZTMLSA-N 1 1 323.397 -1.333 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001028448920 662671934 /nfs/dbraw/zinc/67/19/34/662671934.db2.gz PFZBSNGZYUMWLZ-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1)N1CCC1 ZINC001028449022 662672123 /nfs/dbraw/zinc/67/21/23/662672123.db2.gz SOMYKJRABPWIOF-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO Nc1nccnc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001028455077 662672298 /nfs/dbraw/zinc/67/22/98/662672298.db2.gz PTPQEAWDJYKWOF-ZJUUUORDSA-N 1 1 304.354 -1.001 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464875 662672495 /nfs/dbraw/zinc/67/24/95/662672495.db2.gz GRPINOKVUPZBPW-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028489845 662673077 /nfs/dbraw/zinc/67/30/77/662673077.db2.gz CDPTYGVYYFIQGI-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558424 662673631 /nfs/dbraw/zinc/67/36/31/662673631.db2.gz GVNWXIZPUPHPNE-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558424 662673635 /nfs/dbraw/zinc/67/36/35/662673635.db2.gz GVNWXIZPUPHPNE-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028514631 662674248 /nfs/dbraw/zinc/67/42/48/662674248.db2.gz PHHKVSBTEZLZEO-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001028514631 662674251 /nfs/dbraw/zinc/67/42/51/662674251.db2.gz PHHKVSBTEZLZEO-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001028505646 662674411 /nfs/dbraw/zinc/67/44/11/662674411.db2.gz JWCUUBOFGCJJAP-DGCLKSJQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC000937220194 662674500 /nfs/dbraw/zinc/67/45/00/662674500.db2.gz DBYJMTGOCNGZNR-WOPDTQHZSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577158 662674536 /nfs/dbraw/zinc/67/45/36/662674536.db2.gz GHXFSSDGTPCTTP-JQWIXIFHSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577158 662674537 /nfs/dbraw/zinc/67/45/37/662674537.db2.gz GHXFSSDGTPCTTP-JQWIXIFHSA-N 1 1 323.353 -1.022 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028512980 662674658 /nfs/dbraw/zinc/67/46/58/662674658.db2.gz LEVFQBRMLNUXNL-NSHDSACASA-N 1 1 321.385 -1.108 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001028505782 662674702 /nfs/dbraw/zinc/67/47/02/662674702.db2.gz MLVVRGKUFDFXJH-LBPRGKRZSA-N 1 1 310.398 -1.009 20 0 DAADMO Cn1oc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001028508172 662674777 /nfs/dbraw/zinc/67/47/77/662674777.db2.gz MOUIUQUBPUEMSQ-ZJUUUORDSA-N 1 1 308.338 -1.082 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001028533143 662675227 /nfs/dbraw/zinc/67/52/27/662675227.db2.gz SNOBLUKVUQPUJC-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028531865 662675404 /nfs/dbraw/zinc/67/54/04/662675404.db2.gz KSBQMPDPRVZEJY-LLVKDONJSA-N 1 1 324.385 -1.278 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028567373 662675666 /nfs/dbraw/zinc/67/56/66/662675666.db2.gz VLHIQNOXAKBQKQ-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028567373 662675670 /nfs/dbraw/zinc/67/56/70/662675670.db2.gz VLHIQNOXAKBQKQ-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC1=O ZINC001028577881 662676926 /nfs/dbraw/zinc/67/69/26/662676926.db2.gz HDLRETYLILIBMV-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1=O ZINC001028577882 662677060 /nfs/dbraw/zinc/67/70/60/662677060.db2.gz HDLRETYLILIBMV-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028583723 662678607 /nfs/dbraw/zinc/67/86/07/662678607.db2.gz YNLAULSMVDMTHJ-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000982784461 662679256 /nfs/dbraw/zinc/67/92/56/662679256.db2.gz WBBQYNXERJIEOJ-QWRGUYRKSA-N 1 1 321.385 -1.260 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000982791703 662679617 /nfs/dbraw/zinc/67/96/17/662679617.db2.gz NGVINCQFFNWXDM-RYUDHWBXSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000982793132 662679952 /nfs/dbraw/zinc/67/99/52/662679952.db2.gz UJZOEURYIZPYCW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602871 662681245 /nfs/dbraw/zinc/68/12/45/662681245.db2.gz PPGMNABCDYKULE-SNVBAGLBSA-N 1 1 307.354 -1.422 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629846 662681525 /nfs/dbraw/zinc/68/15/25/662681525.db2.gz UOHRZLLAFMHPLD-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001028606309 662681655 /nfs/dbraw/zinc/68/16/55/662681655.db2.gz QEDGNHWINLKKMT-JTQLQIEISA-N 1 1 307.354 -1.050 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H]3CC[N@H+](CC(N)=O)C3)nn2c1 ZINC001028620009 662681848 /nfs/dbraw/zinc/68/18/48/662681848.db2.gz CDEKKOJBEHAUCZ-SNVBAGLBSA-N 1 1 317.353 -1.030 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H]3CC[N@@H+](CC(N)=O)C3)nn2c1 ZINC001028620009 662681850 /nfs/dbraw/zinc/68/18/50/662681850.db2.gz CDEKKOJBEHAUCZ-SNVBAGLBSA-N 1 1 317.353 -1.030 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001028640680 662682299 /nfs/dbraw/zinc/68/22/99/662682299.db2.gz UNHIMPWYASGRIZ-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640987 662682741 /nfs/dbraw/zinc/68/27/41/662682741.db2.gz ZJMYZSCANRMWNS-VHSXEESVSA-N 1 1 322.369 -1.531 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001028640682 662682760 /nfs/dbraw/zinc/68/27/60/662682760.db2.gz UNHIMPWYASGRIZ-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966409 662683134 /nfs/dbraw/zinc/68/31/34/662683134.db2.gz YPWWKZBARUUSBH-ZYHUDNBSSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966409 662683136 /nfs/dbraw/zinc/68/31/36/662683136.db2.gz YPWWKZBARUUSBH-ZYHUDNBSSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966406 662683301 /nfs/dbraw/zinc/68/33/01/662683301.db2.gz YPWWKZBARUUSBH-CMPLNLGQSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966406 662683302 /nfs/dbraw/zinc/68/33/02/662683302.db2.gz YPWWKZBARUUSBH-CMPLNLGQSA-N 1 1 322.369 -1.286 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)o1 ZINC001028658848 662684052 /nfs/dbraw/zinc/68/40/52/662684052.db2.gz IWRHMONVKHMNDU-VIFPVBQESA-N 1 1 317.367 -1.029 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001028671737 662684260 /nfs/dbraw/zinc/68/42/60/662684260.db2.gz PIVSMAIBQZGSFA-QWRGUYRKSA-N 1 1 311.386 -1.300 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028664829 662684548 /nfs/dbraw/zinc/68/45/48/662684548.db2.gz RTQRPGWSTBDYQZ-SECBINFHSA-N 1 1 307.354 -1.339 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116188 662685601 /nfs/dbraw/zinc/68/56/01/662685601.db2.gz UQEBPAVJWPIFMP-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116188 662685604 /nfs/dbraw/zinc/68/56/04/662685604.db2.gz UQEBPAVJWPIFMP-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702642 662686312 /nfs/dbraw/zinc/68/63/12/662686312.db2.gz LKBYXSUTYDNXKP-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001028724833 662688427 /nfs/dbraw/zinc/68/84/27/662688427.db2.gz PEGYYZASBSHKCC-JTQLQIEISA-N 1 1 320.357 -1.262 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c1C ZINC001028726234 662688750 /nfs/dbraw/zinc/68/87/50/662688750.db2.gz VJLQUTBUGCQSOW-LLVKDONJSA-N 1 1 321.381 -1.066 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001028740709 662689051 /nfs/dbraw/zinc/68/90/51/662689051.db2.gz RXIJKQNOPIWUES-VXGBXAGGSA-N 1 1 321.385 -1.260 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001028744016 662689256 /nfs/dbraw/zinc/68/92/56/662689256.db2.gz GTMQEJWQIICOKI-ZJUUUORDSA-N 1 1 307.358 -1.460 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741122 662689351 /nfs/dbraw/zinc/68/93/51/662689351.db2.gz VORHCKZZZUMMNM-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741122 662689355 /nfs/dbraw/zinc/68/93/55/662689355.db2.gz VORHCKZZZUMMNM-PWSUYJOCSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001028744014 662689488 /nfs/dbraw/zinc/68/94/88/662689488.db2.gz GTMQEJWQIICOKI-UWVGGRQHSA-N 1 1 307.358 -1.460 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001028740883 662689522 /nfs/dbraw/zinc/68/95/22/662689522.db2.gz UAIZDCPIDAPDGK-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC1=O ZINC001028736864 662689550 /nfs/dbraw/zinc/68/95/50/662689550.db2.gz FOSRVUBKXAYTMF-RYUDHWBXSA-N 1 1 306.370 -1.148 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001028739271 662689717 /nfs/dbraw/zinc/68/97/17/662689717.db2.gz DVYSULXKUVTJCX-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028735893 662689725 /nfs/dbraw/zinc/68/97/25/662689725.db2.gz SVMADRNMTIYQSM-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028735893 662689726 /nfs/dbraw/zinc/68/97/26/662689726.db2.gz SVMADRNMTIYQSM-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001028748938 662689985 /nfs/dbraw/zinc/68/99/85/662689985.db2.gz PLALNRDIQRPNBM-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001028748392 662690140 /nfs/dbraw/zinc/69/01/40/662690140.db2.gz LFXRNWOMDKLGDK-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746058 662690198 /nfs/dbraw/zinc/69/01/98/662690198.db2.gz MHBDGJVOHDWXCR-UWVGGRQHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001028747169 662690240 /nfs/dbraw/zinc/69/02/40/662690240.db2.gz YTIDWKDVLHWLTO-SNVBAGLBSA-N 1 1 307.358 -1.506 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001028773351 662690424 /nfs/dbraw/zinc/69/04/24/662690424.db2.gz KZKWWWFRPWKJQS-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001028772653 662690587 /nfs/dbraw/zinc/69/05/87/662690587.db2.gz FESYMYAZGKFDGO-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001028773373 662690609 /nfs/dbraw/zinc/69/06/09/662690609.db2.gz LFLXXTRTZSTVOU-MNOVXSKESA-N 1 1 324.385 -1.869 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028763926 662690630 /nfs/dbraw/zinc/69/06/30/662690630.db2.gz VMXYLFAAXHQZAA-SECBINFHSA-N 1 1 308.338 -1.156 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028763926 662690631 /nfs/dbraw/zinc/69/06/31/662690631.db2.gz VMXYLFAAXHQZAA-SECBINFHSA-N 1 1 308.338 -1.156 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766154 662690750 /nfs/dbraw/zinc/69/07/50/662690750.db2.gz NJIGYXVQIVFWHK-JTQLQIEISA-N 1 1 307.354 -1.090 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772376 662690799 /nfs/dbraw/zinc/69/07/99/662690799.db2.gz CRPDVHVFSYDVAA-MWLCHTKSSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028772376 662690803 /nfs/dbraw/zinc/69/08/03/662690803.db2.gz CRPDVHVFSYDVAA-MWLCHTKSSA-N 1 1 307.358 -1.565 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774730 662691380 /nfs/dbraw/zinc/69/13/80/662691380.db2.gz ZUOYPLIVKYDNSS-VHSXEESVSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774730 662691383 /nfs/dbraw/zinc/69/13/83/662691383.db2.gz ZUOYPLIVKYDNSS-VHSXEESVSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774729 662691423 /nfs/dbraw/zinc/69/14/23/662691423.db2.gz ZUOYPLIVKYDNSS-UWVGGRQHSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774729 662691426 /nfs/dbraw/zinc/69/14/26/662691426.db2.gz ZUOYPLIVKYDNSS-UWVGGRQHSA-N 1 1 318.399 -1.850 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001028774101 662691621 /nfs/dbraw/zinc/69/16/21/662691621.db2.gz SIPAVYSYNHUMBP-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001028774018 662691652 /nfs/dbraw/zinc/69/16/52/662691652.db2.gz QZTCQJDADADGIG-MWLCHTKSSA-N 1 1 309.370 -1.616 20 0 DAADMO Cc1nonc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774057 662691659 /nfs/dbraw/zinc/69/16/59/662691659.db2.gz RQZNHCAGJQQTFJ-ZJUUUORDSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nonc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774057 662691660 /nfs/dbraw/zinc/69/16/60/662691660.db2.gz RQZNHCAGJQQTFJ-ZJUUUORDSA-N 1 1 308.342 -1.002 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924980644 662691823 /nfs/dbraw/zinc/69/18/23/662691823.db2.gz JSZCLKJDTHPMRQ-NXEZZACHSA-N 1 1 308.404 -2.094 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028816680 662692059 /nfs/dbraw/zinc/69/20/59/662692059.db2.gz IQFXVFIICZPWCH-JTQLQIEISA-N 1 1 321.381 -1.112 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924985547 662692310 /nfs/dbraw/zinc/69/23/10/662692310.db2.gz CBZMRWHBVYVFMS-VWYCJHECSA-N 1 1 307.416 -1.259 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001028816369 662692339 /nfs/dbraw/zinc/69/23/39/662692339.db2.gz CJXKSYVGZPXLEL-WDEREUQCSA-N 1 1 321.385 -1.451 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001028857571 662692632 /nfs/dbraw/zinc/69/26/32/662692632.db2.gz YEWHLRSQMYBUFC-LBPRGKRZSA-N 1 1 322.413 -1.018 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCN(CC(N)=O)C2)cn1 ZINC001028857571 662692634 /nfs/dbraw/zinc/69/26/34/662692634.db2.gz YEWHLRSQMYBUFC-LBPRGKRZSA-N 1 1 322.413 -1.018 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001028873833 662692935 /nfs/dbraw/zinc/69/29/35/662692935.db2.gz IXKHPVUXHOAZGX-JTQLQIEISA-N 1 1 307.354 -1.200 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866985 662693022 /nfs/dbraw/zinc/69/30/22/662693022.db2.gz WDAGRSMBMSTXSW-VHSXEESVSA-N 1 1 324.381 -1.388 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001028877992 662693139 /nfs/dbraw/zinc/69/31/39/662693139.db2.gz GHGHKTGERGDNLD-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001028877992 662693143 /nfs/dbraw/zinc/69/31/43/662693143.db2.gz GHGHKTGERGDNLD-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001028877992 662693146 /nfs/dbraw/zinc/69/31/46/662693146.db2.gz GHGHKTGERGDNLD-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001028877992 662693151 /nfs/dbraw/zinc/69/31/51/662693151.db2.gz GHGHKTGERGDNLD-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001028877992 662693153 /nfs/dbraw/zinc/69/31/53/662693153.db2.gz GHGHKTGERGDNLD-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)S1(=O)=O ZINC001028862469 662693163 /nfs/dbraw/zinc/69/31/63/662693163.db2.gz SGPZWLCRAGDTTH-MNOVXSKESA-N 1 1 305.400 -1.549 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028865880 662693298 /nfs/dbraw/zinc/69/32/98/662693298.db2.gz CKAFETDCVGRFER-NSHDSACASA-N 1 1 321.385 -1.108 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1)N1CCOCC1 ZINC001028880543 662693402 /nfs/dbraw/zinc/69/34/02/662693402.db2.gz GRBBSNBCXPHXEV-NSHDSACASA-N 1 1 323.353 -1.020 20 0 DAADMO CC1=C(C(=O)NCC[N@@H+](C)CCO)[C@H](C)n2nnnc2N1C ZINC000925004708 662693465 /nfs/dbraw/zinc/69/34/65/662693465.db2.gz JZHCOHNOJARXRK-JTQLQIEISA-N 1 1 309.374 -1.002 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001028929217 662693720 /nfs/dbraw/zinc/69/37/20/662693720.db2.gz ZAXNDSBOZYGFMO-VIFPVBQESA-N 1 1 306.326 -1.538 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)N1 ZINC001028940552 662693728 /nfs/dbraw/zinc/69/37/28/662693728.db2.gz JUXRFIPTYGDAKD-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001028917623 662693781 /nfs/dbraw/zinc/69/37/81/662693781.db2.gz OVQBINADTVNKMF-GHMZBOCLSA-N 1 1 322.369 -1.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001028917623 662693782 /nfs/dbraw/zinc/69/37/82/662693782.db2.gz OVQBINADTVNKMF-GHMZBOCLSA-N 1 1 322.369 -1.224 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)N1 ZINC001028940553 662694047 /nfs/dbraw/zinc/69/40/47/662694047.db2.gz JUXRFIPTYGDAKD-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001028941204 662694065 /nfs/dbraw/zinc/69/40/65/662694065.db2.gz VDPDFSCOHDAAPN-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001028928732 662694074 /nfs/dbraw/zinc/69/40/74/662694074.db2.gz OUJWACDQAUUKIN-JTQLQIEISA-N 1 1 320.353 -1.148 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NCC[N@@H+](C)CCO)n1cccn1 ZINC000925009332 662694106 /nfs/dbraw/zinc/69/41/06/662694106.db2.gz GRBVBGYEGRDODF-GFCCVEGCSA-N 1 1 311.386 -1.057 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028958556 662694183 /nfs/dbraw/zinc/69/41/83/662694183.db2.gz JCCWYWUVTMFRBY-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028958556 662694185 /nfs/dbraw/zinc/69/41/85/662694185.db2.gz JCCWYWUVTMFRBY-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028971221 662694450 /nfs/dbraw/zinc/69/44/50/662694450.db2.gz HSNRUBUXLVNXHD-IUCAKERBSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979589 662694491 /nfs/dbraw/zinc/69/44/91/662694491.db2.gz ANELZKGYNXHCPS-DTWKUNHWSA-N 1 1 323.353 -1.589 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971411 662694603 /nfs/dbraw/zinc/69/46/03/662694603.db2.gz NHHGTXKYFKTRNM-JTQLQIEISA-N 1 1 307.354 -1.422 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979822 662694722 /nfs/dbraw/zinc/69/47/22/662694722.db2.gz GEQWJYNPVZLTPP-UWVGGRQHSA-N 1 1 310.354 -1.082 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990748 662694768 /nfs/dbraw/zinc/69/47/68/662694768.db2.gz PWYYIAFVNIZNID-QWRGUYRKSA-N 1 1 305.400 -1.237 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028975059 662694799 /nfs/dbraw/zinc/69/47/99/662694799.db2.gz XVHLLRPMSOFOKQ-QMMMGPOBSA-N 1 1 306.326 -1.888 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028975059 662694800 /nfs/dbraw/zinc/69/48/00/662694800.db2.gz XVHLLRPMSOFOKQ-QMMMGPOBSA-N 1 1 306.326 -1.888 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC000983460206 662695057 /nfs/dbraw/zinc/69/50/57/662695057.db2.gz VNABBGJKHCGRPI-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028998893 662695077 /nfs/dbraw/zinc/69/50/77/662695077.db2.gz BJFTYRSIHFTLST-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003460 662695182 /nfs/dbraw/zinc/69/51/82/662695182.db2.gz IQYVWOYSVJMKEW-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001029004350 662695233 /nfs/dbraw/zinc/69/52/33/662695233.db2.gz ZYHWLEBMIPJXSK-SNVBAGLBSA-N 1 1 310.358 -1.803 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007402 662695249 /nfs/dbraw/zinc/69/52/49/662695249.db2.gz YWXPXQPCMIBGFE-UWVGGRQHSA-N 1 1 309.370 -1.351 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001029000821 662695301 /nfs/dbraw/zinc/69/53/01/662695301.db2.gz KJNGTTCROBKMBB-QWRGUYRKSA-N 1 1 306.370 -1.236 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003080 662695418 /nfs/dbraw/zinc/69/54/18/662695418.db2.gz BALAFDBVLBRFQU-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011219 662695426 /nfs/dbraw/zinc/69/54/26/662695426.db2.gz GSJXXLWBMHVNJG-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011219 662695428 /nfs/dbraw/zinc/69/54/28/662695428.db2.gz GSJXXLWBMHVNJG-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029027670 662695583 /nfs/dbraw/zinc/69/55/83/662695583.db2.gz QMKHGSVXXFBGAX-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029027670 662695584 /nfs/dbraw/zinc/69/55/84/662695584.db2.gz QMKHGSVXXFBGAX-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC000983460207 662695597 /nfs/dbraw/zinc/69/55/97/662695597.db2.gz VNABBGJKHCGRPI-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)n1 ZINC000983765591 662697563 /nfs/dbraw/zinc/69/75/63/662697563.db2.gz BFXJJOFPOWESAP-MGCOHNPYSA-N 1 1 305.346 -1.514 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncnc2c1nnn2C ZINC000894957194 662697642 /nfs/dbraw/zinc/69/76/42/662697642.db2.gz DCVYYRDPZYWTSP-UHFFFAOYSA-N 1 1 304.358 -1.032 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000983810202 662698062 /nfs/dbraw/zinc/69/80/62/662698062.db2.gz OUVYBQRGILZTAM-DCAQKATOSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000928559444 662701695 /nfs/dbraw/zinc/70/16/95/662701695.db2.gz MRMVOKDPOUUSSL-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCNC3=O)C2)n1 ZINC000983931173 662698780 /nfs/dbraw/zinc/69/87/80/662698780.db2.gz DPVUQYFJDCSSPY-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764781 662698825 /nfs/dbraw/zinc/69/88/25/662698825.db2.gz YEIFBBWGKWAXKM-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029293286 662699025 /nfs/dbraw/zinc/69/90/25/662699025.db2.gz LGZQRCSRTIFYGP-VLEAKVRGSA-N 1 1 308.338 -1.342 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001029292089 662699243 /nfs/dbraw/zinc/69/92/43/662699243.db2.gz ZAQGTPIHBBBIPC-OUAUKWLOSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029292089 662699244 /nfs/dbraw/zinc/69/92/44/662699244.db2.gz ZAQGTPIHBBBIPC-OUAUKWLOSA-N 1 1 304.354 -1.008 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029293288 662699693 /nfs/dbraw/zinc/69/96/93/662699693.db2.gz LGZQRCSRTIFYGP-ZRUFSTJUSA-N 1 1 308.338 -1.342 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001038102916 662700679 /nfs/dbraw/zinc/70/06/79/662700679.db2.gz FWYRHINQFUBOHE-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001038102916 662700682 /nfs/dbraw/zinc/70/06/82/662700682.db2.gz FWYRHINQFUBOHE-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001038102918 662700860 /nfs/dbraw/zinc/70/08/60/662700860.db2.gz FWYRHINQFUBOHE-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CCC(=O)N1 ZINC001038102918 662700862 /nfs/dbraw/zinc/70/08/62/662700862.db2.gz FWYRHINQFUBOHE-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947802458 662700903 /nfs/dbraw/zinc/70/09/03/662700903.db2.gz ZPBYHESRCMIDJM-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000984123600 662701098 /nfs/dbraw/zinc/70/10/98/662701098.db2.gz BGOHZNKHVWUOSH-NSHDSACASA-N 1 1 323.353 -1.235 20 0 DAADMO CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000984123600 662701100 /nfs/dbraw/zinc/70/11/00/662701100.db2.gz BGOHZNKHVWUOSH-NSHDSACASA-N 1 1 323.353 -1.235 20 0 DAADMO COCC[NH+]1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727072546 662701291 /nfs/dbraw/zinc/70/12/91/662701291.db2.gz BMUQJDUCACOZPO-UHFFFAOYSA-N 1 1 324.472 -1.326 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928558330 662701412 /nfs/dbraw/zinc/70/14/12/662701412.db2.gz BDKJYQCUGVOBMU-NXEZZACHSA-N 1 1 315.399 -1.093 20 0 DAADMO CS(=O)(=O)NCCNC(=S)NCCC[NH+]1CCOCC1 ZINC000909479480 662701659 /nfs/dbraw/zinc/70/16/59/662701659.db2.gz WHPQJVABNYQTDG-UHFFFAOYSA-N 1 1 324.472 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000928559443 662701790 /nfs/dbraw/zinc/70/17/90/662701790.db2.gz MRMVOKDPOUUSSL-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000928563011 662701899 /nfs/dbraw/zinc/70/18/99/662701899.db2.gz NSSFRISDWGOMIG-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000928563030 662701918 /nfs/dbraw/zinc/70/19/18/662701918.db2.gz NSSFRISDWGOMIG-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CC[N@H+]1C)c(=O)n2C ZINC000928568820 662702046 /nfs/dbraw/zinc/70/20/46/662702046.db2.gz NZXWQMARMSLKKS-VIFPVBQESA-N 1 1 320.353 -1.746 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC000984187140 662702246 /nfs/dbraw/zinc/70/22/46/662702246.db2.gz VHOVMWDSAJOZOO-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)NC1=O ZINC001029422364 662703372 /nfs/dbraw/zinc/70/33/72/662703372.db2.gz AKURHZAEUKEZEB-KXNHARMFSA-N 1 1 321.381 -1.426 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001029428489 662703675 /nfs/dbraw/zinc/70/36/75/662703675.db2.gz WFMVUZIIZJHRJR-AXFHLTTASA-N 1 1 319.369 -1.223 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001029428489 662703676 /nfs/dbraw/zinc/70/36/76/662703676.db2.gz WFMVUZIIZJHRJR-AXFHLTTASA-N 1 1 319.369 -1.223 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029444913 662703922 /nfs/dbraw/zinc/70/39/22/662703922.db2.gz GTIUHIMSKKDQSC-ZRUFSTJUSA-N 1 1 307.354 -1.769 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029445585 662704356 /nfs/dbraw/zinc/70/43/56/662704356.db2.gz TZWXXSPHIDCLTM-KXNHARMFSA-N 1 1 321.381 -1.378 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001029449746 662704372 /nfs/dbraw/zinc/70/43/72/662704372.db2.gz GQFZRNYHDWSYEU-GRYCIOLGSA-N 1 1 324.381 -1.870 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001029449746 662704374 /nfs/dbraw/zinc/70/43/74/662704374.db2.gz GQFZRNYHDWSYEU-GRYCIOLGSA-N 1 1 324.381 -1.870 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587244 662706427 /nfs/dbraw/zinc/70/64/27/662706427.db2.gz UKGLBBLVEYTORN-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587244 662706428 /nfs/dbraw/zinc/70/64/28/662706428.db2.gz UKGLBBLVEYTORN-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000896231913 662706565 /nfs/dbraw/zinc/70/65/65/662706565.db2.gz FJXNTLHYBBLAML-UHFFFAOYSA-N 1 1 321.385 -1.060 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029476145 662706650 /nfs/dbraw/zinc/70/66/50/662706650.db2.gz GESQOBBABOWVOR-LVEVGFFFSA-N 1 1 306.366 -1.329 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000896232075 662706741 /nfs/dbraw/zinc/70/67/41/662706741.db2.gz HJNAFWZCXYGQDT-UHFFFAOYSA-N 1 1 321.385 -1.060 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCC(=O)NC1 ZINC001038451797 662706836 /nfs/dbraw/zinc/70/68/36/662706836.db2.gz QSDRTNVKTOBQTN-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCC(=O)NC1 ZINC001038451797 662706839 /nfs/dbraw/zinc/70/68/39/662706839.db2.gz QSDRTNVKTOBQTN-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896548719 662707076 /nfs/dbraw/zinc/70/70/76/662707076.db2.gz NQAFNMXVZZGXGD-OLZOCXBDSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896548719 662707078 /nfs/dbraw/zinc/70/70/78/662707078.db2.gz NQAFNMXVZZGXGD-OLZOCXBDSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896548719 662707079 /nfs/dbraw/zinc/70/70/79/662707079.db2.gz NQAFNMXVZZGXGD-OLZOCXBDSA-N 1 1 311.430 -1.489 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@]3(C)CCC(=O)N3)C2)n1 ZINC000984752989 662707558 /nfs/dbraw/zinc/70/75/58/662707558.db2.gz JSRMGWMIJJFKTG-BHDSKKPTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC000984817482 662708162 /nfs/dbraw/zinc/70/81/62/662708162.db2.gz ITTQHXOXOSDQFM-KYXWUPHJSA-N 1 1 307.358 -1.684 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC000984918878 662708405 /nfs/dbraw/zinc/70/84/05/662708405.db2.gz LIFHSXIOEXQYCU-DCAQKATOSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029512376 662708419 /nfs/dbraw/zinc/70/84/19/662708419.db2.gz WBOBNSSAHGMGOO-HTJOTKDVSA-N 1 1 322.365 -1.358 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000320391731 662708649 /nfs/dbraw/zinc/70/86/49/662708649.db2.gz DGYQSHBEFBHJMO-SECBINFHSA-N 1 1 321.385 -1.382 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000985021776 662708965 /nfs/dbraw/zinc/70/89/65/662708965.db2.gz OTJXEZOCKWAKQR-OPRDCNLKSA-N 1 1 320.353 -1.363 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029576691 662710335 /nfs/dbraw/zinc/71/03/35/662710335.db2.gz PUPUZVIGQVOUSO-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318869 662710458 /nfs/dbraw/zinc/71/04/58/662710458.db2.gz MEYVZAFKEKONDA-VIFPVBQESA-N 1 1 305.400 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318869 662710461 /nfs/dbraw/zinc/71/04/61/662710461.db2.gz MEYVZAFKEKONDA-VIFPVBQESA-N 1 1 305.400 -1.172 20 0 DAADMO COCCn1cc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)nn1 ZINC000985433987 662710905 /nfs/dbraw/zinc/71/09/05/662710905.db2.gz PFHFBEIDNJYOEL-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985434377 662711043 /nfs/dbraw/zinc/71/10/43/662711043.db2.gz ZEBHMRFCKARFIP-UHFFFAOYSA-N 1 1 319.373 -1.112 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001029641385 662711078 /nfs/dbraw/zinc/71/10/78/662711078.db2.gz HTJGJQHHQBNDCS-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001029641385 662711080 /nfs/dbraw/zinc/71/10/80/662711080.db2.gz HTJGJQHHQBNDCS-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985411119 662711197 /nfs/dbraw/zinc/71/11/97/662711197.db2.gz MDTLOQQDYQXGBR-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001029641667 662711204 /nfs/dbraw/zinc/71/12/04/662711204.db2.gz NNYGNBRMPLIVLA-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+](C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001029669027 662711308 /nfs/dbraw/zinc/71/13/08/662711308.db2.gz YEJAGZJTFFBBHU-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001029669027 662711310 /nfs/dbraw/zinc/71/13/10/662711310.db2.gz YEJAGZJTFFBBHU-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+](C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001029669029 662711336 /nfs/dbraw/zinc/71/13/36/662711336.db2.gz YEJAGZJTFFBBHU-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001029669029 662711338 /nfs/dbraw/zinc/71/13/38/662711338.db2.gz YEJAGZJTFFBBHU-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000985439833 662711343 /nfs/dbraw/zinc/71/13/43/662711343.db2.gz AUPHCGFVMBHLKX-UHFFFAOYSA-N 1 1 310.358 -1.708 20 0 DAADMO C[N@H+](C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001029669028 662711366 /nfs/dbraw/zinc/71/13/66/662711366.db2.gz YEJAGZJTFFBBHU-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001029669028 662711367 /nfs/dbraw/zinc/71/13/67/662711367.db2.gz YEJAGZJTFFBBHU-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000985474103 662711449 /nfs/dbraw/zinc/71/14/49/662711449.db2.gz NWESKKVPWJOILA-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC000985513844 662711882 /nfs/dbraw/zinc/71/18/82/662711882.db2.gz DESXSJGXOJPQOH-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001029805539 662712089 /nfs/dbraw/zinc/71/20/89/662712089.db2.gz AHKUVRSBXGSCRA-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000985506866 662712102 /nfs/dbraw/zinc/71/21/02/662712102.db2.gz VAARCXWHHUCVJX-LLVKDONJSA-N 1 1 311.386 -1.115 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)ncc1=O ZINC000985542827 662712127 /nfs/dbraw/zinc/71/21/27/662712127.db2.gz CPCFFPGYKDPSOH-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)c1=O ZINC000985550908 662712164 /nfs/dbraw/zinc/71/21/64/662712164.db2.gz PRAFJOCIMZOUGS-UHFFFAOYSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001029805769 662712650 /nfs/dbraw/zinc/71/26/50/662712650.db2.gz CLTXJSYRCRCWGS-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)NC1=O ZINC000985572742 662712916 /nfs/dbraw/zinc/71/29/16/662712916.db2.gz AQLWMSRUONNODM-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@H]1CCNC1=O ZINC001029825700 662712921 /nfs/dbraw/zinc/71/29/21/662712921.db2.gz SQVCOCVHBLSWJK-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC000985608261 662713179 /nfs/dbraw/zinc/71/31/79/662713179.db2.gz OVGSVAWLCRTUDQ-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC000985608261 662713180 /nfs/dbraw/zinc/71/31/80/662713180.db2.gz OVGSVAWLCRTUDQ-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613222 662713192 /nfs/dbraw/zinc/71/31/92/662713192.db2.gz LIGKOZUYMMFSKV-SNVBAGLBSA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000985618293 662713363 /nfs/dbraw/zinc/71/33/63/662713363.db2.gz QRRXEAWXTCBVNP-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@@H+](C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)[C@H]1CCCNC1=O ZINC000985608788 662713452 /nfs/dbraw/zinc/71/34/52/662713452.db2.gz UQHCXWSGBYNDHL-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CC[C@H]([N@H+](C)C2CCN(C(=O)c3nnn(C)n3)CC2)C1=O ZINC000985585792 662713476 /nfs/dbraw/zinc/71/34/76/662713476.db2.gz UIUOPTDSWMLCPO-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000985705531 662713656 /nfs/dbraw/zinc/71/36/56/662713656.db2.gz XDVURBDWMXXNKV-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)S1(=O)=O ZINC000985696029 662713694 /nfs/dbraw/zinc/71/36/94/662713694.db2.gz FXELKYFKDWSYQW-GFCCVEGCSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985647219 662713716 /nfs/dbraw/zinc/71/37/16/662713716.db2.gz LXMYVNMVKJSVFF-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](C)CCO)CC2)c(=O)n(C)c1=O ZINC000985686941 662713794 /nfs/dbraw/zinc/71/37/94/662713794.db2.gz JLDGSTQEVWAFHG-UHFFFAOYSA-N 1 1 324.381 -1.387 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CCn2cnnn2)CC1 ZINC000985712565 662713906 /nfs/dbraw/zinc/71/39/06/662713906.db2.gz KSFHFPMQUQAOHC-JTQLQIEISA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000985816476 662714024 /nfs/dbraw/zinc/71/40/24/662714024.db2.gz PMNJIRDFINIACL-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1nn(CC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)c(=O)n1C ZINC000985773746 662714047 /nfs/dbraw/zinc/71/40/47/662714047.db2.gz NASLJZFVTQJNDJ-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000985815609 662714196 /nfs/dbraw/zinc/71/41/96/662714196.db2.gz HNGJLAAQVMGOBV-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000985816477 662714214 /nfs/dbraw/zinc/71/42/14/662714214.db2.gz PMNJIRDFINIACL-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)n1 ZINC000985764629 662714255 /nfs/dbraw/zinc/71/42/55/662714255.db2.gz SYWWTZPQKYBUFN-UHFFFAOYSA-N 1 1 321.381 -1.040 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000985805463 662714302 /nfs/dbraw/zinc/71/43/02/662714302.db2.gz YGVFOJOONSTUTB-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000985816474 662714313 /nfs/dbraw/zinc/71/43/13/662714313.db2.gz PMNJIRDFINIACL-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1nn(CC(=O)N2CCC([N@@H+](C)CCO)CC2)c(=O)n1C ZINC000985774630 662714329 /nfs/dbraw/zinc/71/43/29/662714329.db2.gz UXZSMRUBUZGFEX-UHFFFAOYSA-N 1 1 311.386 -1.195 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC000985946951 662714994 /nfs/dbraw/zinc/71/49/94/662714994.db2.gz SXJOYHVHWCYJOE-KOLCDFICSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985946155 662715015 /nfs/dbraw/zinc/71/50/15/662715015.db2.gz QNRFXHPHFMXLEY-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cncn1 ZINC000986006957 662715040 /nfs/dbraw/zinc/71/50/40/662715040.db2.gz XOQZPBACRWAFHJ-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCCC1=O ZINC000985958381 662715085 /nfs/dbraw/zinc/71/50/85/662715085.db2.gz PQEDXGDZWSUOFM-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1cnnn1 ZINC000985945315 662715157 /nfs/dbraw/zinc/71/51/57/662715157.db2.gz PKCUPDHVQMGOMW-GXSJLCMTSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CS(C)(=O)=O ZINC000986037058 662715532 /nfs/dbraw/zinc/71/55/32/662715532.db2.gz AQCYMJRILKRISB-ONGXEEELSA-N 1 1 315.399 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000986132811 662715847 /nfs/dbraw/zinc/71/58/47/662715847.db2.gz IFFNWOMKZWIFSO-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986148304 662715872 /nfs/dbraw/zinc/71/58/72/662715872.db2.gz KVVQFSXTKSDTRG-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)c1N ZINC000986180802 662715971 /nfs/dbraw/zinc/71/59/71/662715971.db2.gz QSOINVAUUWCKAN-WCBMZHEXSA-N 1 1 319.373 -1.081 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1ncn(C)n1 ZINC000986237133 662716300 /nfs/dbraw/zinc/71/63/00/662716300.db2.gz XSXYSFFUXOTAAM-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@H]2C)C1 ZINC000986207481 662716334 /nfs/dbraw/zinc/71/63/34/662716334.db2.gz OQQZHKYLFXPOOM-SKDRFNHKSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1ccnn1 ZINC000986217276 662716410 /nfs/dbraw/zinc/71/64/10/662716410.db2.gz LQMFJTUUORYCNE-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnnn1C ZINC000986249106 662716467 /nfs/dbraw/zinc/71/64/67/662716467.db2.gz ZTUCUMZIQBSZLF-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986219817 662716472 /nfs/dbraw/zinc/71/64/72/662716472.db2.gz RKKHZQIVTKUZFJ-RKDXNWHRSA-N 1 1 321.341 -1.105 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncnn1 ZINC000986274896 662716878 /nfs/dbraw/zinc/71/68/78/662716878.db2.gz BPGBCCIYZRLJPF-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1ncnn1 ZINC000986286535 662716894 /nfs/dbraw/zinc/71/68/94/662716894.db2.gz IVZSMTLLPMOJOI-MWLCHTKSSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986448482 662717179 /nfs/dbraw/zinc/71/71/79/662717179.db2.gz RNJZJHWVJYQNAY-ONGXEEELSA-N 1 1 321.341 -1.256 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986448477 662717404 /nfs/dbraw/zinc/71/74/04/662717404.db2.gz RNJZJHWVJYQNAY-GXSJLCMTSA-N 1 1 321.341 -1.256 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)CC2CCN(C(=O)CC(N)=O)CC2)nc1=O ZINC001029948463 662717574 /nfs/dbraw/zinc/71/75/74/662717574.db2.gz KIZCLUBEOCKVAL-UHFFFAOYSA-N 1 1 324.385 -1.346 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986658274 662718306 /nfs/dbraw/zinc/71/83/06/662718306.db2.gz SUJPQCUKNVFYNB-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986749618 662718727 /nfs/dbraw/zinc/71/87/27/662718727.db2.gz QZCHUKHIXDIMTB-DTWKUNHWSA-N 1 1 318.341 -1.314 20 0 DAADMO Cn1nnc(C(=O)N2CCC(C[N@@H+](C)[C@H]3CCNC3=O)CC2)n1 ZINC001029986328 662718872 /nfs/dbraw/zinc/71/88/72/662718872.db2.gz AYSWSEXSRXZVPB-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C(N)=O ZINC000986777360 662718937 /nfs/dbraw/zinc/71/89/37/662718937.db2.gz HILMQXQMURGBPB-IUCAKERBSA-N 1 1 308.342 -1.627 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)c1nnn(C)n1 ZINC000986661326 662718962 /nfs/dbraw/zinc/71/89/62/662718962.db2.gz DFKFOSMKOOXEME-PSASIEDQSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)c1nnn(C)n1 ZINC000986661327 662719073 /nfs/dbraw/zinc/71/90/73/662719073.db2.gz DFKFOSMKOOXEME-SCZZXKLOSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990853 662719510 /nfs/dbraw/zinc/71/95/10/662719510.db2.gz VCZSVTXHECGKGJ-VIFPVBQESA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990853 662719511 /nfs/dbraw/zinc/71/95/11/662719511.db2.gz VCZSVTXHECGKGJ-VIFPVBQESA-N 1 1 309.374 -1.073 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)CC2CCN(C(=O)C(N)=O)CC2)nc1=O ZINC001029989523 662719542 /nfs/dbraw/zinc/71/95/42/662719542.db2.gz BRLLTUGSPMXGCO-UHFFFAOYSA-N 1 1 310.358 -1.736 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)[C@H]1CCNC1=O ZINC001029990531 662719562 /nfs/dbraw/zinc/71/95/62/662719562.db2.gz RORQPCQAFQLAEM-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCn1cnnn1 ZINC000987247818 662721587 /nfs/dbraw/zinc/72/15/87/662721587.db2.gz IBEUXUGMHVSYGS-PWSUYJOCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249814 662721628 /nfs/dbraw/zinc/72/16/28/662721628.db2.gz QPESBMOZPHYVRF-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCn1cnnn1 ZINC000987249488 662721744 /nfs/dbraw/zinc/72/17/44/662721744.db2.gz PLMDYRIQDZASOE-CMPLNLGQSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249815 662721756 /nfs/dbraw/zinc/72/17/56/662721756.db2.gz QPESBMOZPHYVRF-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCn1cnnn1 ZINC000987247819 662721785 /nfs/dbraw/zinc/72/17/85/662721785.db2.gz IBEUXUGMHVSYGS-ZYHUDNBSSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987482595 662722759 /nfs/dbraw/zinc/72/27/59/662722759.db2.gz PTWCOQJABMYEJD-PSASIEDQSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000988005637 662723738 /nfs/dbraw/zinc/72/37/38/662723738.db2.gz PQVSRBTULIGESV-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCCC1=O ZINC000987986217 662723743 /nfs/dbraw/zinc/72/37/43/662723743.db2.gz TUQOZQKESVZNKY-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000988005644 662723907 /nfs/dbraw/zinc/72/39/07/662723907.db2.gz PQVSRBTULIGESV-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1cnnn1 ZINC000988012981 662724021 /nfs/dbraw/zinc/72/40/21/662724021.db2.gz YQKAJQFBQXQULZ-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1cnnn1 ZINC000988013054 662724030 /nfs/dbraw/zinc/72/40/30/662724030.db2.gz ZDRFKEKNTJQWSX-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1cnnn1 ZINC000988004392 662724043 /nfs/dbraw/zinc/72/40/43/662724043.db2.gz NQJSJOGFTIAEST-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000988175917 662724329 /nfs/dbraw/zinc/72/43/29/662724329.db2.gz VEYAGQIDYBIBBV-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CS(C)(=O)=O ZINC000988216256 662724865 /nfs/dbraw/zinc/72/48/65/662724865.db2.gz KDQKCFGOFJBIMS-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CS(C)(=O)=O ZINC000988214551 662725020 /nfs/dbraw/zinc/72/50/20/662725020.db2.gz FHIVHSXKUDRKEX-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937661330 662726919 /nfs/dbraw/zinc/72/69/19/662726919.db2.gz ZARAKNWFQZHEBO-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000897510386 662728581 /nfs/dbraw/zinc/72/85/81/662728581.db2.gz SAJHADVNQDIGSE-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663800 662729663 /nfs/dbraw/zinc/72/96/63/662729663.db2.gz SBUPHYHBTVTKIF-DTWKUNHWSA-N 1 1 321.345 -1.714 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663809 662729789 /nfs/dbraw/zinc/72/97/89/662729789.db2.gz SBUPHYHBTVTKIF-RKDXNWHRSA-N 1 1 321.345 -1.714 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663805 662729952 /nfs/dbraw/zinc/72/99/52/662729952.db2.gz SBUPHYHBTVTKIF-IUCAKERBSA-N 1 1 321.345 -1.714 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000937777562 662730172 /nfs/dbraw/zinc/73/01/72/662730172.db2.gz CICMEEMWNAHDES-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000937777562 662730175 /nfs/dbraw/zinc/73/01/75/662730175.db2.gz CICMEEMWNAHDES-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000937756823 662730216 /nfs/dbraw/zinc/73/02/16/662730216.db2.gz SDCQCWUCJFEFJJ-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000937777561 662730273 /nfs/dbraw/zinc/73/02/73/662730273.db2.gz CICMEEMWNAHDES-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000937777561 662730276 /nfs/dbraw/zinc/73/02/76/662730276.db2.gz CICMEEMWNAHDES-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937778922 662730662 /nfs/dbraw/zinc/73/06/62/662730662.db2.gz VSGIBALKUDOPIW-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937778922 662730664 /nfs/dbraw/zinc/73/06/64/662730664.db2.gz VSGIBALKUDOPIW-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000937780546 662730679 /nfs/dbraw/zinc/73/06/79/662730679.db2.gz VVDIMQASCVSGMD-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000937780546 662730681 /nfs/dbraw/zinc/73/06/81/662730681.db2.gz VVDIMQASCVSGMD-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937778074 662730814 /nfs/dbraw/zinc/73/08/14/662730814.db2.gz CPRSKDXLABSDDU-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937778074 662730818 /nfs/dbraw/zinc/73/08/18/662730818.db2.gz CPRSKDXLABSDDU-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937781514 662730872 /nfs/dbraw/zinc/73/08/72/662730872.db2.gz NKCYJDDJICGMKR-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937781514 662730875 /nfs/dbraw/zinc/73/08/75/662730875.db2.gz NKCYJDDJICGMKR-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000937780025 662731024 /nfs/dbraw/zinc/73/10/24/662731024.db2.gz RDGLQIPVNMTDMD-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000937780025 662731025 /nfs/dbraw/zinc/73/10/25/662731025.db2.gz RDGLQIPVNMTDMD-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937782328 662731224 /nfs/dbraw/zinc/73/12/24/662731224.db2.gz XLSKEYSRUODMKZ-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937782328 662731228 /nfs/dbraw/zinc/73/12/28/662731228.db2.gz XLSKEYSRUODMKZ-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000937849643 662732309 /nfs/dbraw/zinc/73/23/09/662732309.db2.gz IKWZTKFXOUSWPJ-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000937890591 662733082 /nfs/dbraw/zinc/73/30/82/662733082.db2.gz SAWJZQGNJSFJQN-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1ccnn1 ZINC000988713386 662734835 /nfs/dbraw/zinc/73/48/35/662734835.db2.gz OYTONUNIFFBVKR-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@H]2C)C1 ZINC000988719303 662735527 /nfs/dbraw/zinc/73/55/27/662735527.db2.gz MHTFAEMZHJQABD-BXKDBHETSA-N 1 1 321.385 -1.233 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@H]2C)C1 ZINC000988719317 662735570 /nfs/dbraw/zinc/73/55/70/662735570.db2.gz MHTFAEMZHJQABD-SKDRFNHKSA-N 1 1 321.385 -1.233 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)C1 ZINC000988719314 662735740 /nfs/dbraw/zinc/73/57/40/662735740.db2.gz MHTFAEMZHJQABD-CABZTGNLSA-N 1 1 321.385 -1.233 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCOCC3)C2)C1 ZINC000937976286 662736395 /nfs/dbraw/zinc/73/63/95/662736395.db2.gz RZNZJCUTKSEUHL-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937975095 662736556 /nfs/dbraw/zinc/73/65/56/662736556.db2.gz KUZLUBWKKLDXPL-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938002573 662737697 /nfs/dbraw/zinc/73/76/97/662737697.db2.gz QURDGFVDUUXJQT-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000938040643 662738406 /nfs/dbraw/zinc/73/84/06/662738406.db2.gz SWCIAEKNPPPWJM-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000938047431 662738464 /nfs/dbraw/zinc/73/84/64/662738464.db2.gz TWYSTHAKFMVUFU-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000938047431 662738468 /nfs/dbraw/zinc/73/84/68/662738468.db2.gz TWYSTHAKFMVUFU-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnnn1C ZINC000988767298 662738506 /nfs/dbraw/zinc/73/85/06/662738506.db2.gz SYNPZFGENDELAG-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938047458 662738523 /nfs/dbraw/zinc/73/85/23/662738523.db2.gz DNUVUYRZZLUILX-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938047458 662738524 /nfs/dbraw/zinc/73/85/24/662738524.db2.gz DNUVUYRZZLUILX-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C(N)=O ZINC000988754090 662738610 /nfs/dbraw/zinc/73/86/10/662738610.db2.gz XXRZQQWHQVFGFB-CHWFTXMASA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C(N)=O ZINC000988754090 662738613 /nfs/dbraw/zinc/73/86/13/662738613.db2.gz XXRZQQWHQVFGFB-CHWFTXMASA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnnn1C ZINC000988767302 662738639 /nfs/dbraw/zinc/73/86/39/662738639.db2.gz SYNPZFGENDELAG-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)[nH]1 ZINC000988824587 662739436 /nfs/dbraw/zinc/73/94/36/662739436.db2.gz IEDFWMUXPNDLCZ-WCBMZHEXSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1ncnn1 ZINC000988840657 662739500 /nfs/dbraw/zinc/73/95/00/662739500.db2.gz XRJJCUDPROESOZ-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@H]2C)[nH]1 ZINC000988824586 662739666 /nfs/dbraw/zinc/73/96/66/662739666.db2.gz IEDFWMUXPNDLCZ-SCZZXKLOSA-N 1 1 319.373 -1.042 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000988848038 662740011 /nfs/dbraw/zinc/74/00/11/662740011.db2.gz DASZMGHHBAGFNQ-WCBMZHEXSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296568 662742755 /nfs/dbraw/zinc/74/27/55/662742755.db2.gz VKWMZTWIWZCASL-WDEREUQCSA-N 1 1 322.369 -1.420 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000729620847 662743922 /nfs/dbraw/zinc/74/39/22/662743922.db2.gz VZLNPTQUBUCFRI-UTUOFQBUSA-N 1 1 312.370 -1.255 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729594046 662744068 /nfs/dbraw/zinc/74/40/68/662744068.db2.gz IVEQBYXBKJQNKG-ZJUUUORDSA-N 1 1 306.388 -1.563 20 0 DAADMO CCN1CC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000897617414 662745169 /nfs/dbraw/zinc/74/51/69/662745169.db2.gz PCKKNCWPHDVNCD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCN1CCNC1=O)[N@@H+](C)C1CC1 ZINC000897650530 662745473 /nfs/dbraw/zinc/74/54/73/662745473.db2.gz ZQSAOXHUCVJDQH-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCNC1=O ZINC000898006243 662746033 /nfs/dbraw/zinc/74/60/33/662746033.db2.gz RVGAPKMHXAWROS-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCNC1=O ZINC000898006244 662746199 /nfs/dbraw/zinc/74/61/99/662746199.db2.gz RVGAPKMHXAWROS-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000989472913 662747259 /nfs/dbraw/zinc/74/72/59/662747259.db2.gz QDPFFDAOFPQUTD-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000898143151 662747373 /nfs/dbraw/zinc/74/73/73/662747373.db2.gz YROXCFADEPUGQE-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000898143151 662747377 /nfs/dbraw/zinc/74/73/77/662747377.db2.gz YROXCFADEPUGQE-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)CC1=O ZINC000898269822 662747399 /nfs/dbraw/zinc/74/73/99/662747399.db2.gz LLDOHFGJCMKIDW-CQSZACIVSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000989590112 662748885 /nfs/dbraw/zinc/74/88/85/662748885.db2.gz VYJAKLVHMGCNHN-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCn1cnnn1 ZINC000989600734 662749168 /nfs/dbraw/zinc/74/91/68/662749168.db2.gz MAZAXRCCVCIWLJ-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@H+](CCCO)CC1 ZINC000989625114 662749387 /nfs/dbraw/zinc/74/93/87/662749387.db2.gz CRKHFJOUOKGEGL-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCn1cnnn1 ZINC000989599658 662749486 /nfs/dbraw/zinc/74/94/86/662749486.db2.gz BMTSSRSBUQOUGP-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000989628301 662749534 /nfs/dbraw/zinc/74/95/34/662749534.db2.gz XLVWTIHWPSELDP-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000989628300 662749751 /nfs/dbraw/zinc/74/97/51/662749751.db2.gz XLVWTIHWPSELDP-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CCn1cnnn1 ZINC000989600026 662749859 /nfs/dbraw/zinc/74/98/59/662749859.db2.gz DQXUUENNSCVJRH-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cc1nnc[nH]1 ZINC000989656955 662750015 /nfs/dbraw/zinc/75/00/15/662750015.db2.gz JOXCSNSMPWRMJO-RKDXNWHRSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000989689063 662750091 /nfs/dbraw/zinc/75/00/91/662750091.db2.gz BGBUANUJRKUIFP-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989631863 662750163 /nfs/dbraw/zinc/75/01/63/662750163.db2.gz DICGNDUTNZZKLS-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989631863 662750164 /nfs/dbraw/zinc/75/01/64/662750164.db2.gz DICGNDUTNZZKLS-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cc1nnc[nH]1 ZINC000989656954 662750196 /nfs/dbraw/zinc/75/01/96/662750196.db2.gz JOXCSNSMPWRMJO-IUCAKERBSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989658200 662750422 /nfs/dbraw/zinc/75/04/22/662750422.db2.gz UHFAVNISUWIKKU-GHMZBOCLSA-N 1 1 321.385 -1.049 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)n(C)c1=O ZINC000989752316 662750792 /nfs/dbraw/zinc/75/07/92/662750792.db2.gz JQRVOAZZIKRALY-NSHDSACASA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)n(C)c1=O ZINC000989752316 662750798 /nfs/dbraw/zinc/75/07/98/662750798.db2.gz JQRVOAZZIKRALY-NSHDSACASA-N 1 1 321.381 -1.240 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989738835 662750933 /nfs/dbraw/zinc/75/09/33/662750933.db2.gz KKGDSSCLXAWIFL-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001014432533 662750984 /nfs/dbraw/zinc/75/09/84/662750984.db2.gz ZCTIHTNNOXBIKV-WDEREUQCSA-N 1 1 307.354 -1.055 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1C(=O)CNC1=O ZINC000989766376 662751144 /nfs/dbraw/zinc/75/11/44/662751144.db2.gz PXYJZYJLMHUHBD-IUCAKERBSA-N 1 1 322.325 -1.300 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806519 662751361 /nfs/dbraw/zinc/75/13/61/662751361.db2.gz ILEFTPZPPUKVNH-LLVKDONJSA-N 1 1 324.381 -1.338 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806519 662751363 /nfs/dbraw/zinc/75/13/63/662751363.db2.gz ILEFTPZPPUKVNH-LLVKDONJSA-N 1 1 324.381 -1.338 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cncn1 ZINC000989753312 662751457 /nfs/dbraw/zinc/75/14/57/662751457.db2.gz VBVHJJCXJHVUJP-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815898 662751499 /nfs/dbraw/zinc/75/14/99/662751499.db2.gz PUOCKTIRZXDGFU-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815898 662751502 /nfs/dbraw/zinc/75/15/02/662751502.db2.gz PUOCKTIRZXDGFU-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cncn1 ZINC000989753315 662751517 /nfs/dbraw/zinc/75/15/17/662751517.db2.gz VBVHJJCXJHVUJP-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806520 662751578 /nfs/dbraw/zinc/75/15/78/662751578.db2.gz ILEFTPZPPUKVNH-NSHDSACASA-N 1 1 324.381 -1.338 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806520 662751579 /nfs/dbraw/zinc/75/15/79/662751579.db2.gz ILEFTPZPPUKVNH-NSHDSACASA-N 1 1 324.381 -1.338 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC000989938462 662751888 /nfs/dbraw/zinc/75/18/88/662751888.db2.gz CZHXBEZUNDGWHB-WDMOLILDSA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014445947 662752023 /nfs/dbraw/zinc/75/20/23/662752023.db2.gz DNRTYQOKCTXVCY-ONGXEEELSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014445947 662752026 /nfs/dbraw/zinc/75/20/26/662752026.db2.gz DNRTYQOKCTXVCY-ONGXEEELSA-N 1 1 307.358 -1.469 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001014446279 662752217 /nfs/dbraw/zinc/75/22/17/662752217.db2.gz GHUMPFHWIGHDTD-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3COCCO3)CC2)n1 ZINC000989983098 662752582 /nfs/dbraw/zinc/75/25/82/662752582.db2.gz DAZJBTBTOGESQY-LLVKDONJSA-N 1 1 310.358 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnccn3)C2)C1 ZINC000990098355 662753259 /nfs/dbraw/zinc/75/32/59/662753259.db2.gz IRSGJCPTRKQALA-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnccn3)C2)C1 ZINC000990098355 662753262 /nfs/dbraw/zinc/75/32/62/662753262.db2.gz IRSGJCPTRKQALA-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014507610 662753563 /nfs/dbraw/zinc/75/35/63/662753563.db2.gz KFIIPLVIOYDNAT-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990180517 662754633 /nfs/dbraw/zinc/75/46/33/662754633.db2.gz HWLRRXTWXOJYFR-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990180517 662754635 /nfs/dbraw/zinc/75/46/35/662754635.db2.gz HWLRRXTWXOJYFR-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990181626 662755023 /nfs/dbraw/zinc/75/50/23/662755023.db2.gz SRZCDNBSFSHPOC-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990188085 662755738 /nfs/dbraw/zinc/75/57/38/662755738.db2.gz PFMHKVCEXRDFMF-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990188085 662755743 /nfs/dbraw/zinc/75/57/43/662755743.db2.gz PFMHKVCEXRDFMF-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)n1 ZINC000990251978 662757164 /nfs/dbraw/zinc/75/71/64/662757164.db2.gz BWJFGVLCNAGOPP-SNVBAGLBSA-N 1 1 307.358 -1.431 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990241779 662757179 /nfs/dbraw/zinc/75/71/79/662757179.db2.gz NRWWNYFAVNUFAC-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990241779 662757181 /nfs/dbraw/zinc/75/71/81/662757181.db2.gz NRWWNYFAVNUFAC-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3)CCC[C@@H]12 ZINC000990275088 662758201 /nfs/dbraw/zinc/75/82/01/662758201.db2.gz DNHWEQMDROFKCG-IUODEOHRSA-N 1 1 310.398 -1.083 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3)CCC[C@@H]12 ZINC000990275088 662758203 /nfs/dbraw/zinc/75/82/03/662758203.db2.gz DNHWEQMDROFKCG-IUODEOHRSA-N 1 1 310.398 -1.083 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990310289 662759416 /nfs/dbraw/zinc/75/94/16/662759416.db2.gz ZBYINDDHUIMVNX-IINYFYTJSA-N 1 1 322.369 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990331833 662759707 /nfs/dbraw/zinc/75/97/07/662759707.db2.gz UVHLQVLVEFWGSB-ISTVAULSSA-N 1 1 322.369 -1.029 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n(C)n1 ZINC000990376246 662760046 /nfs/dbraw/zinc/76/00/46/662760046.db2.gz YCYBKDHJRVFBNJ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n(C)n1 ZINC000990376246 662760047 /nfs/dbraw/zinc/76/00/47/662760047.db2.gz YCYBKDHJRVFBNJ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cnn(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990367931 662760164 /nfs/dbraw/zinc/76/01/64/662760164.db2.gz RFEDAQIESNHFAZ-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1cnn(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990367931 662760168 /nfs/dbraw/zinc/76/01/68/662760168.db2.gz RFEDAQIESNHFAZ-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1C ZINC000990383226 662760539 /nfs/dbraw/zinc/76/05/39/662760539.db2.gz RPJLGTPXEKJYGW-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC000990383226 662760541 /nfs/dbraw/zinc/76/05/41/662760541.db2.gz RPJLGTPXEKJYGW-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000923917648 662762542 /nfs/dbraw/zinc/76/25/42/662762542.db2.gz DKXRHBFCAFZEHL-RISCZKNCSA-N 1 1 312.370 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3COC(=O)N3)CCC[C@H]12 ZINC000990480098 662762556 /nfs/dbraw/zinc/76/25/56/662762556.db2.gz WNWHJFUFCFKVNS-ISTVAULSSA-N 1 1 310.354 -1.046 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1=O ZINC000990507269 662763574 /nfs/dbraw/zinc/76/35/74/662763574.db2.gz GEOYNJHBDDQXDZ-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCOCC2=O)C1 ZINC000990507352 662763661 /nfs/dbraw/zinc/76/36/61/662763661.db2.gz GOJGESNIPLAJDL-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1nc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)ccc1=O ZINC000990506587 662763716 /nfs/dbraw/zinc/76/37/16/662763716.db2.gz CTJMNSCHNRCIEL-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000990511188 662763774 /nfs/dbraw/zinc/76/37/74/662763774.db2.gz RCRKFHBBEAQTCC-UWVGGRQHSA-N 1 1 323.353 -1.994 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCNC(=O)C2)C1 ZINC000990508225 662763835 /nfs/dbraw/zinc/76/38/35/662763835.db2.gz JGTKMEAYKQZIEE-GFCCVEGCSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000990516294 662764020 /nfs/dbraw/zinc/76/40/20/662764020.db2.gz IRVFSTBIJDKCHE-JTQLQIEISA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000990512817 662764171 /nfs/dbraw/zinc/76/41/71/662764171.db2.gz BOFICGKFWOCDPT-SDDRHHMPSA-N 1 1 324.381 -1.560 20 0 DAADMO Cn1cnn(CC(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1=O ZINC000990522288 662764192 /nfs/dbraw/zinc/76/41/92/662764192.db2.gz HDWCMWXYZOPYDW-NSHDSACASA-N 1 1 322.369 -1.997 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000990517804 662764205 /nfs/dbraw/zinc/76/42/05/662764205.db2.gz QKHGIRIGQNUZAU-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000990511887 662764249 /nfs/dbraw/zinc/76/42/49/662764249.db2.gz WMIUXHPHDLYRSW-MNOVXSKESA-N 1 1 309.370 -1.569 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000990518632 662764281 /nfs/dbraw/zinc/76/42/81/662764281.db2.gz PEAULKCTPJRJLU-ZDUSSCGKSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000990512814 662764355 /nfs/dbraw/zinc/76/43/55/662764355.db2.gz BOFICGKFWOCDPT-GRYCIOLGSA-N 1 1 324.381 -1.560 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990518724 662764406 /nfs/dbraw/zinc/76/44/06/662764406.db2.gz QSECPIJTKWQRIG-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000990520277 662764456 /nfs/dbraw/zinc/76/44/56/662764456.db2.gz XZRLNRFKHWMBSL-NSHDSACASA-N 1 1 305.338 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000990515224 662764537 /nfs/dbraw/zinc/76/45/37/662764537.db2.gz TUUMFYONJBHGAN-XHDPSFHLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000990518743 662764584 /nfs/dbraw/zinc/76/45/84/662764584.db2.gz SDMVSNFSIONEIN-NHYWBVRUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000990512628 662764654 /nfs/dbraw/zinc/76/46/54/662764654.db2.gz AGSGWKRDGBSLOS-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000990509791 662764673 /nfs/dbraw/zinc/76/46/73/662764673.db2.gz LTIZJFUKFOQIER-RYUDHWBXSA-N 1 1 323.397 -1.049 20 0 DAADMO Cn1cnn(CC(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000990522283 662764712 /nfs/dbraw/zinc/76/47/12/662764712.db2.gz HDWCMWXYZOPYDW-LLVKDONJSA-N 1 1 322.369 -1.997 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000990516302 662764721 /nfs/dbraw/zinc/76/47/21/662764721.db2.gz IRVFSTBIJDKCHE-SNVBAGLBSA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990546619 662765363 /nfs/dbraw/zinc/76/53/63/662765363.db2.gz LBPTZTXPYVXPJO-VIFPVBQESA-N 1 1 304.354 -1.049 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nnn1C ZINC000990596935 662766254 /nfs/dbraw/zinc/76/62/54/662766254.db2.gz LSHYYCGGTFRFEE-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nnn1C ZINC000990596935 662766258 /nfs/dbraw/zinc/76/62/58/662766258.db2.gz LSHYYCGGTFRFEE-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000990616235 662767024 /nfs/dbraw/zinc/76/70/24/662767024.db2.gz GXCXBMTWJKUYLJ-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000990616235 662767025 /nfs/dbraw/zinc/76/70/25/662767025.db2.gz GXCXBMTWJKUYLJ-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cncnc3)C2)C1 ZINC000990617708 662767059 /nfs/dbraw/zinc/76/70/59/662767059.db2.gz PCDUFEALELBYLZ-CYBMUJFWSA-N 1 1 319.365 -1.323 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cncnc3)C2)C1 ZINC000990617708 662767062 /nfs/dbraw/zinc/76/70/62/662767062.db2.gz PCDUFEALELBYLZ-CYBMUJFWSA-N 1 1 319.365 -1.323 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990616017 662767173 /nfs/dbraw/zinc/76/71/73/662767173.db2.gz GDPASLIXOKYHBJ-JTQLQIEISA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990616017 662767177 /nfs/dbraw/zinc/76/71/77/662767177.db2.gz GDPASLIXOKYHBJ-JTQLQIEISA-N 1 1 308.342 -1.914 20 0 DAADMO CCn1nncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990615527 662767194 /nfs/dbraw/zinc/76/71/94/662767194.db2.gz CQAZUNJDGNHSRM-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1nncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990615527 662767197 /nfs/dbraw/zinc/76/71/97/662767197.db2.gz CQAZUNJDGNHSRM-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO Cn1nncc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990617488 662767262 /nfs/dbraw/zinc/76/72/62/662767262.db2.gz MVJHIJYAPYAUBX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1nncc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990617488 662767265 /nfs/dbraw/zinc/76/72/65/662767265.db2.gz MVJHIJYAPYAUBX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990615596 662767337 /nfs/dbraw/zinc/76/73/37/662767337.db2.gz CZVBXJXEFHEYED-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cncnc3)C2)C1 ZINC000990615561 662767353 /nfs/dbraw/zinc/76/73/53/662767353.db2.gz CSZCYJVTNZMRJN-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cncnc3)C2)C1 ZINC000990615561 662767354 /nfs/dbraw/zinc/76/73/54/662767354.db2.gz CSZCYJVTNZMRJN-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000990620254 662767359 /nfs/dbraw/zinc/76/73/59/662767359.db2.gz AAOWNOQGKPDPRN-QNWHQSFQSA-N 1 1 309.366 -1.464 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000990620254 662767360 /nfs/dbraw/zinc/76/73/60/662767360.db2.gz AAOWNOQGKPDPRN-QNWHQSFQSA-N 1 1 309.366 -1.464 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990615261 662767703 /nfs/dbraw/zinc/76/77/03/662767703.db2.gz BCJGYLNBEWFDJU-CMPLNLGQSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990615261 662767707 /nfs/dbraw/zinc/76/77/07/662767707.db2.gz BCJGYLNBEWFDJU-CMPLNLGQSA-N 1 1 322.369 -1.503 20 0 DAADMO Cc1cn(C)nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990617583 662767740 /nfs/dbraw/zinc/76/77/40/662767740.db2.gz NVAGAXBHRFCBPW-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cn(C)nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990617583 662767745 /nfs/dbraw/zinc/76/77/45/662767745.db2.gz NVAGAXBHRFCBPW-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990615600 662767790 /nfs/dbraw/zinc/76/77/90/662767790.db2.gz CZVBXJXEFHEYED-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000990617033 662767811 /nfs/dbraw/zinc/76/78/11/662767811.db2.gz KUHCWKYTBADYQH-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000990617033 662767813 /nfs/dbraw/zinc/76/78/13/662767813.db2.gz KUHCWKYTBADYQH-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000990616713 662767857 /nfs/dbraw/zinc/76/78/57/662767857.db2.gz KKNJJUOERRZNBM-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000990616713 662767861 /nfs/dbraw/zinc/76/78/61/662767861.db2.gz KKNJJUOERRZNBM-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000990619182 662768061 /nfs/dbraw/zinc/76/80/61/662768061.db2.gz VBNLMZPACOGEGF-SNVBAGLBSA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000990619182 662768063 /nfs/dbraw/zinc/76/80/63/662768063.db2.gz VBNLMZPACOGEGF-SNVBAGLBSA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccncn3)C2)C1 ZINC000990617999 662768264 /nfs/dbraw/zinc/76/82/64/662768264.db2.gz UZTASVWWZUQFDL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccncn3)C2)C1 ZINC000990617999 662768265 /nfs/dbraw/zinc/76/82/65/662768265.db2.gz UZTASVWWZUQFDL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990620404 662768296 /nfs/dbraw/zinc/76/82/96/662768296.db2.gz AWIYPIYVVXGELN-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990620404 662768298 /nfs/dbraw/zinc/76/82/98/662768298.db2.gz AWIYPIYVVXGELN-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000990618044 662768357 /nfs/dbraw/zinc/76/83/57/662768357.db2.gz QNSRTCDVIFMROQ-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000990618044 662768360 /nfs/dbraw/zinc/76/83/60/662768360.db2.gz QNSRTCDVIFMROQ-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990622972 662768417 /nfs/dbraw/zinc/76/84/17/662768417.db2.gz LCPRCAKUTJGMQG-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990622972 662768418 /nfs/dbraw/zinc/76/84/18/662768418.db2.gz LCPRCAKUTJGMQG-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990618010 662768432 /nfs/dbraw/zinc/76/84/32/662768432.db2.gz PZBAMNULQADWRZ-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990618010 662768436 /nfs/dbraw/zinc/76/84/36/662768436.db2.gz PZBAMNULQADWRZ-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000990618046 662768477 /nfs/dbraw/zinc/76/84/77/662768477.db2.gz QNSRTCDVIFMROQ-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000990618046 662768478 /nfs/dbraw/zinc/76/84/78/662768478.db2.gz QNSRTCDVIFMROQ-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990621856 662768541 /nfs/dbraw/zinc/76/85/41/662768541.db2.gz FQGODASEPGEPBL-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990621856 662768543 /nfs/dbraw/zinc/76/85/43/662768543.db2.gz FQGODASEPGEPBL-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990619588 662768627 /nfs/dbraw/zinc/76/86/27/662768627.db2.gz WRXLADOHUOPEFQ-CYBMUJFWSA-N 1 1 324.381 -1.878 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990619588 662768629 /nfs/dbraw/zinc/76/86/29/662768629.db2.gz WRXLADOHUOPEFQ-CYBMUJFWSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000990631511 662768707 /nfs/dbraw/zinc/76/87/07/662768707.db2.gz QHXKQWVXXOJOOR-NXEZZACHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000990631511 662768711 /nfs/dbraw/zinc/76/87/11/662768711.db2.gz QHXKQWVXXOJOOR-NXEZZACHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000990632225 662768907 /nfs/dbraw/zinc/76/89/07/662768907.db2.gz RXUDBPKXEDMKOP-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000990632225 662768908 /nfs/dbraw/zinc/76/89/08/662768908.db2.gz RXUDBPKXEDMKOP-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]c1=O ZINC000990634313 662768916 /nfs/dbraw/zinc/76/89/16/662768916.db2.gz XRLDUQIJUXBCLT-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]c1=O ZINC000990634313 662768918 /nfs/dbraw/zinc/76/89/18/662768918.db2.gz XRLDUQIJUXBCLT-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000990627170 662768996 /nfs/dbraw/zinc/76/89/96/662768996.db2.gz XNTWAKALGHYKNX-WDEREUQCSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000990627170 662768999 /nfs/dbraw/zinc/76/89/99/662768999.db2.gz XNTWAKALGHYKNX-WDEREUQCSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000990631914 662769122 /nfs/dbraw/zinc/76/91/22/662769122.db2.gz QKCGFDGTLBBFOP-VWYCJHECSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000990631914 662769124 /nfs/dbraw/zinc/76/91/24/662769124.db2.gz QKCGFDGTLBBFOP-VWYCJHECSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000990624245 662769183 /nfs/dbraw/zinc/76/91/83/662769183.db2.gz VKCAOPVUABTFNM-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000990624245 662769187 /nfs/dbraw/zinc/76/91/87/662769187.db2.gz VKCAOPVUABTFNM-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000990632229 662769298 /nfs/dbraw/zinc/76/92/98/662769298.db2.gz RXUDBPKXEDMKOP-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000990632229 662769300 /nfs/dbraw/zinc/76/93/00/662769300.db2.gz RXUDBPKXEDMKOP-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1ccn(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990629203 662769374 /nfs/dbraw/zinc/76/93/74/662769374.db2.gz IHMBMAFNYRHFMM-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccn(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990629203 662769376 /nfs/dbraw/zinc/76/93/76/662769376.db2.gz IHMBMAFNYRHFMM-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000990630249 662769399 /nfs/dbraw/zinc/76/93/99/662769399.db2.gz LZKBUABYRDNURH-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1C ZINC000990627178 662769409 /nfs/dbraw/zinc/76/94/09/662769409.db2.gz XPLHZHVVDPLRRL-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1C ZINC000990627178 662769412 /nfs/dbraw/zinc/76/94/12/662769412.db2.gz XPLHZHVVDPLRRL-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000990625349 662769455 /nfs/dbraw/zinc/76/94/55/662769455.db2.gz SDPNYBTVRIBYCL-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000990625349 662769459 /nfs/dbraw/zinc/76/94/59/662769459.db2.gz SDPNYBTVRIBYCL-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000990627161 662769495 /nfs/dbraw/zinc/76/94/95/662769495.db2.gz XNTWAKALGHYKNX-GHMZBOCLSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000990627161 662769498 /nfs/dbraw/zinc/76/94/98/662769498.db2.gz XNTWAKALGHYKNX-GHMZBOCLSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000990631519 662769624 /nfs/dbraw/zinc/76/96/24/662769624.db2.gz QHXKQWVXXOJOOR-ZJUUUORDSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000990631519 662769625 /nfs/dbraw/zinc/76/96/25/662769625.db2.gz QHXKQWVXXOJOOR-ZJUUUORDSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCN1C(=O)CNC1=O ZINC001038114471 662769811 /nfs/dbraw/zinc/76/98/11/662769811.db2.gz FVFOUJUAEROVKO-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014624833 662770474 /nfs/dbraw/zinc/77/04/74/662770474.db2.gz CAKPWEKJHWQITG-NWDGAFQWSA-N 1 1 324.381 -1.228 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000990710981 662770883 /nfs/dbraw/zinc/77/08/83/662770883.db2.gz LHZPQRCRGCYNRF-SUNKGSAMSA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990717593 662771014 /nfs/dbraw/zinc/77/10/14/662771014.db2.gz ZWNFOKITPFLCJH-NRUUGDAUSA-N 1 1 307.358 -1.340 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCNC3=O)CC[C@H]21 ZINC000898692798 662771108 /nfs/dbraw/zinc/77/11/08/662771108.db2.gz YGUXDOAYTYJTAC-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060536 662771774 /nfs/dbraw/zinc/77/17/74/662771774.db2.gz RJIWEFDHIIWMFT-UHFFFAOYSA-N 1 1 315.370 -1.344 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060536 662771776 /nfs/dbraw/zinc/77/17/76/662771776.db2.gz RJIWEFDHIIWMFT-UHFFFAOYSA-N 1 1 315.370 -1.344 20 0 DAADMO Cn1cc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001038133012 662771826 /nfs/dbraw/zinc/77/18/26/662771826.db2.gz AOHXAZIXLHXTMI-STQMWFEESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001038133012 662771828 /nfs/dbraw/zinc/77/18/28/662771828.db2.gz AOHXAZIXLHXTMI-STQMWFEESA-N 1 1 308.386 -1.164 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)n1 ZINC000990765784 662772109 /nfs/dbraw/zinc/77/21/09/662772109.db2.gz TVKQLSABQYQURN-IINYFYTJSA-N 1 1 322.369 -1.518 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000990795892 662773137 /nfs/dbraw/zinc/77/31/37/662773137.db2.gz IAMBVVHAXYBIAJ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000899468155 662773177 /nfs/dbraw/zinc/77/31/77/662773177.db2.gz IPQFTNRUPXLTFW-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990795380 662773599 /nfs/dbraw/zinc/77/35/99/662773599.db2.gz HCROFPWVWYZKMO-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990795380 662773604 /nfs/dbraw/zinc/77/36/04/662773604.db2.gz HCROFPWVWYZKMO-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000899732329 662774752 /nfs/dbraw/zinc/77/47/52/662774752.db2.gz HTZWRZTXLXWFKN-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCC[N@@H+](C)CCO ZINC000899737482 662775110 /nfs/dbraw/zinc/77/51/10/662775110.db2.gz IXUIATTWVNIFHM-HNNXBMFYSA-N 1 1 311.382 -1.052 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000899736990 662775127 /nfs/dbraw/zinc/77/51/27/662775127.db2.gz VSPWJJLFXVMFQA-JTQLQIEISA-N 1 1 309.432 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643121 662775438 /nfs/dbraw/zinc/77/54/38/662775438.db2.gz KYPQIQPYOVYEAR-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643121 662775440 /nfs/dbraw/zinc/77/54/40/662775440.db2.gz KYPQIQPYOVYEAR-NXEZZACHSA-N 1 1 318.399 -1.914 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899978165 662775730 /nfs/dbraw/zinc/77/57/30/662775730.db2.gz VPCVAUYEDXCRCB-DOMZBBRYSA-N 1 1 312.414 -1.326 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899968647 662775952 /nfs/dbraw/zinc/77/59/52/662775952.db2.gz HUBPCRBGLMQTFB-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000900033155 662776068 /nfs/dbraw/zinc/77/60/68/662776068.db2.gz NDIPPRNLMBXEIC-JQWIXIFHSA-N 1 1 305.400 -1.455 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000900032730 662776102 /nfs/dbraw/zinc/77/61/02/662776102.db2.gz MGTIMQGIFHXNOK-CYBMUJFWSA-N 1 1 319.427 -1.063 20 0 DAADMO CC(C)[C@H](CNC(=O)CN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000900061261 662776158 /nfs/dbraw/zinc/77/61/58/662776158.db2.gz RYTVFNRYTAOEOO-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000900033154 662776313 /nfs/dbraw/zinc/77/63/13/662776313.db2.gz NDIPPRNLMBXEIC-CMPLNLGQSA-N 1 1 305.400 -1.455 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900202474 662776454 /nfs/dbraw/zinc/77/64/54/662776454.db2.gz KNFNFEPNAJPSLI-ZFWWWQNUSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900202472 662776777 /nfs/dbraw/zinc/77/67/77/662776777.db2.gz KNFNFEPNAJPSLI-UKRRQHHQSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC000990841016 662777181 /nfs/dbraw/zinc/77/71/81/662777181.db2.gz BTGIKYKWRKOTGP-AGIUHOORSA-N 1 1 322.369 -1.503 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC000990841016 662777185 /nfs/dbraw/zinc/77/71/85/662777185.db2.gz BTGIKYKWRKOTGP-AGIUHOORSA-N 1 1 322.369 -1.503 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000900497348 662777436 /nfs/dbraw/zinc/77/74/36/662777436.db2.gz GDXHTUUNPMZRDL-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000900497342 662777460 /nfs/dbraw/zinc/77/74/60/662777460.db2.gz GDXHTUUNPMZRDL-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900452910 662777733 /nfs/dbraw/zinc/77/77/33/662777733.db2.gz PVTXTYXGLPNJPV-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000900611556 662777843 /nfs/dbraw/zinc/77/78/43/662777843.db2.gz BNNFDJLNQSBWFW-UHFFFAOYSA-N 1 1 323.397 -1.223 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O ZINC000900603141 662778265 /nfs/dbraw/zinc/77/82/65/662778265.db2.gz UVWQSPVUQVKEQS-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C2CN(S(C)(=O)=O)C2)n1C ZINC000900681307 662778346 /nfs/dbraw/zinc/77/83/46/662778346.db2.gz KOOHTVFTBCPTGN-UHFFFAOYSA-N 1 1 315.399 -1.006 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000900647503 662778356 /nfs/dbraw/zinc/77/83/56/662778356.db2.gz VYOADMVZWBRRDT-CABZTGNLSA-N 1 1 307.416 -1.115 20 0 DAADMO CN1CCN(C(=O)CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900685715 662778456 /nfs/dbraw/zinc/77/84/56/662778456.db2.gz VCVDFQKNWPBEMN-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000900740382 662778914 /nfs/dbraw/zinc/77/89/14/662778914.db2.gz FMCFSSOALQLJRL-UMNHJUIQSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)CN1CC[NH+](C)CC1 ZINC000900692144 662779334 /nfs/dbraw/zinc/77/93/34/662779334.db2.gz DTHMGUOPYLQDSH-ZDUSSCGKSA-N 1 1 311.430 -1.582 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000900740380 662779496 /nfs/dbraw/zinc/77/94/96/662779496.db2.gz FMCFSSOALQLJRL-FOGDFJRCSA-N 1 1 305.400 -1.408 20 0 DAADMO CNC(=O)CN1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900958515 662779721 /nfs/dbraw/zinc/77/97/21/662779721.db2.gz OXQNINRZGVRRLI-OAHLLOKOSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000900953211 662779726 /nfs/dbraw/zinc/77/97/26/662779726.db2.gz DPQDUNAWVVYFFU-IINYFYTJSA-N 1 1 310.354 -1.404 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000901145853 662780827 /nfs/dbraw/zinc/78/08/27/662780827.db2.gz DYUPTOUIHOBUPC-GFCCVEGCSA-N 1 1 319.427 -1.207 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000901105623 662780956 /nfs/dbraw/zinc/78/09/56/662780956.db2.gz HZNDKZNEQHTNAL-RYUDHWBXSA-N 1 1 313.398 -1.117 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901176303 662781061 /nfs/dbraw/zinc/78/10/61/662781061.db2.gz TVKSOYWYNVCCKO-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000901139648 662781096 /nfs/dbraw/zinc/78/10/96/662781096.db2.gz SQQYDRVMJHYJOG-MWLCHTKSSA-N 1 1 305.400 -1.287 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000901139648 662781098 /nfs/dbraw/zinc/78/10/98/662781098.db2.gz SQQYDRVMJHYJOG-MWLCHTKSSA-N 1 1 305.400 -1.287 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N(CCO)CCN1CCOCC1 ZINC000901143788 662781127 /nfs/dbraw/zinc/78/11/27/662781127.db2.gz RFVICCRKNUJZAR-DZGCQCFKSA-N 1 1 315.414 -1.405 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000901139641 662781160 /nfs/dbraw/zinc/78/11/60/662781160.db2.gz SQQYDRVMJHYJOG-GXSJLCMTSA-N 1 1 305.400 -1.287 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000901139641 662781162 /nfs/dbraw/zinc/78/11/62/662781162.db2.gz SQQYDRVMJHYJOG-GXSJLCMTSA-N 1 1 305.400 -1.287 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938226023 662781842 /nfs/dbraw/zinc/78/18/42/662781842.db2.gz KORLTUJOSCXJGD-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938226021 662781999 /nfs/dbraw/zinc/78/19/99/662781999.db2.gz KORLTUJOSCXJGD-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990911745 662783041 /nfs/dbraw/zinc/78/30/41/662783041.db2.gz VCKPEVAIKKWKTQ-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990923432 662784036 /nfs/dbraw/zinc/78/40/36/662784036.db2.gz WTOPEEYZOYRZCJ-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990919875 662784180 /nfs/dbraw/zinc/78/41/80/662784180.db2.gz HFNKIDYOAMNQJS-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2COCCN2C)C1 ZINC000990926320 662784841 /nfs/dbraw/zinc/78/48/41/662784841.db2.gz SXOWOHCRQLDBSW-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000990927027 662784959 /nfs/dbraw/zinc/78/49/59/662784959.db2.gz WKBKOOTWQSWHSU-WCQYABFASA-N 1 1 310.398 -1.404 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990943310 662786074 /nfs/dbraw/zinc/78/60/74/662786074.db2.gz XPPQIUGDBFYFJG-JTQLQIEISA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990943181 662786243 /nfs/dbraw/zinc/78/62/43/662786243.db2.gz NAZIFSXPACKJED-JTQLQIEISA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990945346 662786515 /nfs/dbraw/zinc/78/65/15/662786515.db2.gz ZLWGJFHLMMQBCG-ONGXEEELSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990945345 662786664 /nfs/dbraw/zinc/78/66/64/662786664.db2.gz ZLWGJFHLMMQBCG-MWLCHTKSSA-N 1 1 322.369 -1.492 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1N ZINC000990961401 662787540 /nfs/dbraw/zinc/78/75/40/662787540.db2.gz KTGLROUGTHYGPI-SECBINFHSA-N 1 1 306.370 -1.105 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC000902622705 662788964 /nfs/dbraw/zinc/78/89/64/662788964.db2.gz HFFYWZAGDOAVHG-UHFFFAOYSA-N 1 1 309.374 -1.068 20 0 DAADMO CN1C(=O)C(=O)N(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000902643187 662789044 /nfs/dbraw/zinc/78/90/44/662789044.db2.gz KNYNKZQOPUILSN-WDEREUQCSA-N 1 1 310.354 -1.105 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000903598809 662789947 /nfs/dbraw/zinc/78/99/47/662789947.db2.gz QRTMEUYSAPLOKM-NWDGAFQWSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[C@H]1C[NH2+]CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000903576610 662790133 /nfs/dbraw/zinc/79/01/33/662790133.db2.gz MOLWCSOCUZDPML-JTQLQIEISA-N 1 1 314.429 -1.329 20 0 DAADMO C[NH2+]CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)C ZINC000903816390 662790468 /nfs/dbraw/zinc/79/04/68/662790468.db2.gz NSTZXNNIKSICRC-QWHCGFSZSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991043313 662791152 /nfs/dbraw/zinc/79/11/52/662791152.db2.gz LHCAXVJOKXTPGH-CYBMUJFWSA-N 1 1 324.381 -1.878 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991043313 662791154 /nfs/dbraw/zinc/79/11/54/662791154.db2.gz LHCAXVJOKXTPGH-CYBMUJFWSA-N 1 1 324.381 -1.878 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000991043332 662791190 /nfs/dbraw/zinc/79/11/90/662791190.db2.gz LHCAXVJOKXTPGH-ZDUSSCGKSA-N 1 1 324.381 -1.878 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000991043332 662791195 /nfs/dbraw/zinc/79/11/95/662791195.db2.gz LHCAXVJOKXTPGH-ZDUSSCGKSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134675 662791343 /nfs/dbraw/zinc/79/13/43/662791343.db2.gz GYISRLRQLDRGJT-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134675 662791346 /nfs/dbraw/zinc/79/13/46/662791346.db2.gz GYISRLRQLDRGJT-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991045333 662791758 /nfs/dbraw/zinc/79/17/58/662791758.db2.gz BTOROZCQMIZMRE-SECBINFHSA-N 1 1 308.338 -1.129 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000905012829 662793285 /nfs/dbraw/zinc/79/32/85/662793285.db2.gz FBAVVRBVBHMCLD-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000904985815 662793376 /nfs/dbraw/zinc/79/33/76/662793376.db2.gz DPVQTESXUNMPKA-MELADBBJSA-N 1 1 324.425 -1.006 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904988097 662793409 /nfs/dbraw/zinc/79/34/09/662793409.db2.gz SMMNBVKESZPRSH-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCN1 ZINC000904988097 662793411 /nfs/dbraw/zinc/79/34/11/662793411.db2.gz SMMNBVKESZPRSH-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000905016558 662793455 /nfs/dbraw/zinc/79/34/55/662793455.db2.gz SMHKNZFFQNIGNJ-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000905016558 662793458 /nfs/dbraw/zinc/79/34/58/662793458.db2.gz SMHKNZFFQNIGNJ-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985347 662793624 /nfs/dbraw/zinc/79/36/24/662793624.db2.gz ACFRJLTULFMHOJ-UPJWGTAASA-N 1 1 310.398 -1.396 20 0 DAADMO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904987254 662793674 /nfs/dbraw/zinc/79/36/74/662793674.db2.gz OBJHUUUHMVWMTK-CHWSQXEVSA-N 1 1 312.414 -1.149 20 0 DAADMO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985342 662793762 /nfs/dbraw/zinc/79/37/62/662793762.db2.gz ACFRJLTULFMHOJ-AGIUHOORSA-N 1 1 310.398 -1.396 20 0 DAADMO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000904985345 662793919 /nfs/dbraw/zinc/79/39/19/662793919.db2.gz ACFRJLTULFMHOJ-JHJVBQTASA-N 1 1 310.398 -1.396 20 0 DAADMO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904987612 662794079 /nfs/dbraw/zinc/79/40/79/662794079.db2.gz QGQMPYPZTDXBTH-FQUUOJAGSA-N 1 1 322.409 -1.383 20 0 DAADMO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000904985346 662794146 /nfs/dbraw/zinc/79/41/46/662794146.db2.gz ACFRJLTULFMHOJ-RWMBFGLXSA-N 1 1 310.398 -1.396 20 0 DAADMO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904985402 662794191 /nfs/dbraw/zinc/79/41/91/662794191.db2.gz BCZPUDQAJGAWGA-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)CO)C1 ZINC000905398712 662795353 /nfs/dbraw/zinc/79/53/53/662795353.db2.gz YVZSRUQACTXXAQ-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCNC(=O)CO)CC2)C1 ZINC000906706678 662796136 /nfs/dbraw/zinc/79/61/36/662796136.db2.gz AHLRNRFPTZXRTK-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000991089632 662796590 /nfs/dbraw/zinc/79/65/90/662796590.db2.gz PWZIIKYWWFXVSY-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000907517359 662797773 /nfs/dbraw/zinc/79/77/73/662797773.db2.gz KKLDDQOKLUEOCL-MNOVXSKESA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000907517359 662797776 /nfs/dbraw/zinc/79/77/76/662797776.db2.gz KKLDDQOKLUEOCL-MNOVXSKESA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCNC(=O)CO ZINC000907588273 662797913 /nfs/dbraw/zinc/79/79/13/662797913.db2.gz MXENORVYZDIBEG-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000907575494 662797921 /nfs/dbraw/zinc/79/79/21/662797921.db2.gz SJKNMUXYIZFCEQ-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000907517358 662798165 /nfs/dbraw/zinc/79/81/65/662798165.db2.gz KKLDDQOKLUEOCL-GHMZBOCLSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000907517358 662798166 /nfs/dbraw/zinc/79/81/66/662798166.db2.gz KKLDDQOKLUEOCL-GHMZBOCLSA-N 1 1 319.427 -1.209 20 0 DAADMO COC(=O)CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000907514462 662798178 /nfs/dbraw/zinc/79/81/78/662798178.db2.gz SWYHRLIGVAAPCL-UHFFFAOYSA-N 1 1 312.414 -1.203 20 0 DAADMO CN1CCO[C@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000908000086 662799212 /nfs/dbraw/zinc/79/92/12/662799212.db2.gz DDPHVDCRRVKVLC-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000908029399 662799455 /nfs/dbraw/zinc/79/94/55/662799455.db2.gz JCIICZHYOQRQGQ-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000908029399 662799458 /nfs/dbraw/zinc/79/94/58/662799458.db2.gz JCIICZHYOQRQGQ-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000907974672 662799507 /nfs/dbraw/zinc/79/95/07/662799507.db2.gz FOCSHNHZWBTGET-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000908028440 662799525 /nfs/dbraw/zinc/79/95/25/662799525.db2.gz NRWJTUWCOLXCDC-PWSUYJOCSA-N 1 1 320.415 -1.950 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)CN1CCOCC1 ZINC000907976080 662799541 /nfs/dbraw/zinc/79/95/41/662799541.db2.gz RSEQHVWGERDJOK-OUCADQQQSA-N 1 1 301.387 -1.749 20 0 DAADMO Cn1cnc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1=O ZINC000991116151 662801069 /nfs/dbraw/zinc/80/10/69/662801069.db2.gz IUGWVCOVYIXNQO-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cnc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)cc1=O ZINC000991116151 662801071 /nfs/dbraw/zinc/80/10/71/662801071.db2.gz IUGWVCOVYIXNQO-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991118331 662801400 /nfs/dbraw/zinc/80/14/00/662801400.db2.gz VMJVKLVRBPXBHB-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1)C1CCC1 ZINC000991119463 662801599 /nfs/dbraw/zinc/80/15/99/662801599.db2.gz MMLGOJYJZPOGKE-LLVKDONJSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)CC[N@H+]1C ZINC000991119484 662801627 /nfs/dbraw/zinc/80/16/27/662801627.db2.gz HNDINRBSSDUCEL-FBIMIBRVSA-N 1 1 310.354 -1.238 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991125966 662802024 /nfs/dbraw/zinc/80/20/24/662802024.db2.gz NIBWRZIBICNRIF-MWLCHTKSSA-N 1 1 310.354 -1.094 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000908201458 662802294 /nfs/dbraw/zinc/80/22/94/662802294.db2.gz MBQGBBZPPVBDCG-NEPJUHHUSA-N 1 1 317.411 -1.455 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000908335540 662802550 /nfs/dbraw/zinc/80/25/50/662802550.db2.gz XIHGNEFYAPHUGV-UHFFFAOYSA-N 1 1 317.411 -1.332 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC(=O)OC)CC1=O ZINC000908236616 662802567 /nfs/dbraw/zinc/80/25/67/662802567.db2.gz HYJNFTLYBBQECG-NSHDSACASA-N 1 1 315.370 -1.155 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000908477579 662802812 /nfs/dbraw/zinc/80/28/12/662802812.db2.gz AHSBMXYJVYFKTA-LLVKDONJSA-N 1 1 300.355 -1.173 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000908477579 662802813 /nfs/dbraw/zinc/80/28/13/662802813.db2.gz AHSBMXYJVYFKTA-LLVKDONJSA-N 1 1 300.355 -1.173 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908541145 662802881 /nfs/dbraw/zinc/80/28/81/662802881.db2.gz QJQKOLDVAFCKFN-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000908540886 662802970 /nfs/dbraw/zinc/80/29/70/662802970.db2.gz KWRCJXZBUATSBN-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CN3CCNC(=O)C3)[C@H]2C1 ZINC000908419266 662803026 /nfs/dbraw/zinc/80/30/26/662803026.db2.gz YNFLDWSAMLLCSO-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000908532780 662803065 /nfs/dbraw/zinc/80/30/65/662803065.db2.gz ANTDOJFWKPOZOF-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000991154336 662803180 /nfs/dbraw/zinc/80/31/80/662803180.db2.gz BGFKVNNZXTXLAX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000991154336 662803181 /nfs/dbraw/zinc/80/31/81/662803181.db2.gz BGFKVNNZXTXLAX-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991165436 662804061 /nfs/dbraw/zinc/80/40/61/662804061.db2.gz RFYHXSASECEWSS-JTQLQIEISA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991165436 662804062 /nfs/dbraw/zinc/80/40/62/662804062.db2.gz RFYHXSASECEWSS-JTQLQIEISA-N 1 1 308.342 -1.914 20 0 DAADMO CCn1nncc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991183302 663127020 /nfs/dbraw/zinc/12/70/20/663127020.db2.gz KKBUPKZFGTYBNM-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1nncc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991183302 663127022 /nfs/dbraw/zinc/12/70/22/663127022.db2.gz KKBUPKZFGTYBNM-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991178800 663127064 /nfs/dbraw/zinc/12/70/64/663127064.db2.gz HOGPHHASOFJNID-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)C1 ZINC000991179842 663127083 /nfs/dbraw/zinc/12/70/83/663127083.db2.gz KOJHAIMMCZUODU-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)C1 ZINC000991179842 663127084 /nfs/dbraw/zinc/12/70/84/663127084.db2.gz KOJHAIMMCZUODU-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2OCCN(C)C2=O)CC[N@@H+](C)C1 ZINC000910413483 663129123 /nfs/dbraw/zinc/12/91/23/663129123.db2.gz LPVNUPDLJDSFLV-QWRGUYRKSA-N 1 1 313.354 -1.593 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)C[C@]2(C)C1 ZINC000910604643 663130919 /nfs/dbraw/zinc/13/09/19/663130919.db2.gz NDAXSURSZLNGAW-HFAKWTLXSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000910687534 663131377 /nfs/dbraw/zinc/13/13/77/663131377.db2.gz LJPMKSYHVLEAJJ-GRYCIOLGSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000910687534 663131378 /nfs/dbraw/zinc/13/13/78/663131378.db2.gz LJPMKSYHVLEAJJ-GRYCIOLGSA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@H](CO)C3)C[C@]2(C)C1 ZINC000910720776 663131996 /nfs/dbraw/zinc/13/19/96/663131996.db2.gz FSNQLNJNWVFJNF-OXIQGZBJSA-N 1 1 311.382 -1.792 20 0 DAADMO CCN1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738899 663132335 /nfs/dbraw/zinc/13/23/35/663132335.db2.gz ZWRVNAMUUCALHE-RWMBFGLXSA-N 1 1 310.398 -1.526 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CO)(CO)CC1 ZINC000910773661 663132838 /nfs/dbraw/zinc/13/28/38/663132838.db2.gz FXENTKDERCKATD-GFCCVEGCSA-N 1 1 313.398 -1.210 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CO)(CO)CC1 ZINC000910773661 663132840 /nfs/dbraw/zinc/13/28/40/663132840.db2.gz FXENTKDERCKATD-GFCCVEGCSA-N 1 1 313.398 -1.210 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)CC1(C)C ZINC000910774909 663133643 /nfs/dbraw/zinc/13/36/43/663133643.db2.gz NPUQGOJHLSRRAK-RYUDHWBXSA-N 1 1 313.398 -1.259 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@H](CO)C2)CC1(C)C ZINC000910774909 663133644 /nfs/dbraw/zinc/13/36/44/663133644.db2.gz NPUQGOJHLSRRAK-RYUDHWBXSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910921004 663134480 /nfs/dbraw/zinc/13/44/80/663134480.db2.gz BYSKRHLSEMMUFM-YNEHKIRRSA-N 1 1 313.398 -1.117 20 0 DAADMO O=C(C(=O)N1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910922029 663134760 /nfs/dbraw/zinc/13/47/60/663134760.db2.gz FIGAPOLIMZVQLO-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910922030 663134774 /nfs/dbraw/zinc/13/47/74/663134774.db2.gz FIGAPOLIMZVQLO-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000911029506 663136096 /nfs/dbraw/zinc/13/60/96/663136096.db2.gz CLFSOHBURIDUBO-XJKSGUPXSA-N 1 1 323.441 -1.297 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911072703 663136717 /nfs/dbraw/zinc/13/67/17/663136717.db2.gz NDDWIBUIRCVZGQ-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911072703 663136719 /nfs/dbraw/zinc/13/67/19/663136719.db2.gz NDDWIBUIRCVZGQ-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911154491 663138485 /nfs/dbraw/zinc/13/84/85/663138485.db2.gz BPENVXZALJTGQW-GFCCVEGCSA-N 1 1 300.403 -1.122 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911156161 663138071 /nfs/dbraw/zinc/13/80/71/663138071.db2.gz NGARQQFAXKCAHW-NSHDSACASA-N 1 1 300.403 -1.124 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911154492 663138364 /nfs/dbraw/zinc/13/83/64/663138364.db2.gz BPENVXZALJTGQW-LBPRGKRZSA-N 1 1 300.403 -1.122 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911155778 663138409 /nfs/dbraw/zinc/13/84/09/663138409.db2.gz LLQWVCLUUCYSMJ-LLVKDONJSA-N 1 1 300.403 -1.205 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236413 663139241 /nfs/dbraw/zinc/13/92/41/663139241.db2.gz QQYODCZZPCWJIR-FRRDWIJNSA-N 1 1 312.414 -1.205 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N1CCNC[C@H]1COC ZINC000911244874 663140484 /nfs/dbraw/zinc/14/04/84/663140484.db2.gz SJPBQKXXNCAZSM-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCc3nnnn3CC2)C1 ZINC000911211338 663139357 /nfs/dbraw/zinc/13/93/57/663139357.db2.gz ROHPWHDHAJHMTE-LBPRGKRZSA-N 1 1 307.402 -1.012 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911239892 663139573 /nfs/dbraw/zinc/13/95/73/663139573.db2.gz FKLBSGNDMGPNDT-VXGBXAGGSA-N 1 1 312.414 -1.063 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911275062 663140694 /nfs/dbraw/zinc/14/06/94/663140694.db2.gz UJQODLIBDZVQBK-FRRDWIJNSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911327308 663141389 /nfs/dbraw/zinc/14/13/89/663141389.db2.gz UJQODLIBDZVQBK-AVGNSLFASA-N 1 1 310.398 -1.478 20 0 DAADMO CN(C)c1ccnc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000911311860 663141397 /nfs/dbraw/zinc/14/13/97/663141397.db2.gz UBHJQHNSZHDHSJ-ZDUSSCGKSA-N 1 1 321.381 -1.132 20 0 DAADMO CN(C)c1ccnc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000911311859 663141731 /nfs/dbraw/zinc/14/17/31/663141731.db2.gz UBHJQHNSZHDHSJ-CYBMUJFWSA-N 1 1 321.381 -1.132 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325759 663142026 /nfs/dbraw/zinc/14/20/26/663142026.db2.gz WWKIRCCPCLJPBV-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911339353 663142909 /nfs/dbraw/zinc/14/29/09/663142909.db2.gz VPCDOHWVSJPDMB-YNEHKIRRSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2COCCN2)c1 ZINC000911345826 663142961 /nfs/dbraw/zinc/14/29/61/663142961.db2.gz CQBQHDVNNKAWRP-LBPRGKRZSA-N 1 1 321.381 -1.132 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911390311 663143672 /nfs/dbraw/zinc/14/36/72/663143672.db2.gz ZFUWVVHZTORLJO-YIYPIFLZSA-N 1 1 324.425 -1.374 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911465551 663145750 /nfs/dbraw/zinc/14/57/50/663145750.db2.gz SXPHOIFEYHQNGM-TUAOUCFPSA-N 1 1 312.370 -1.936 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911468656 663146170 /nfs/dbraw/zinc/14/61/70/663146170.db2.gz BRWQNTJSRMAFJQ-NSHDSACASA-N 1 1 314.386 -1.689 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)CC[N@@H+]1CC(C)(C)O ZINC000911470045 663146360 /nfs/dbraw/zinc/14/63/60/663146360.db2.gz RYWAAXZVRWAIGE-QWRGUYRKSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)CC[N@H+]1CC(C)(C)O ZINC000911470045 663146363 /nfs/dbraw/zinc/14/63/63/663146363.db2.gz RYWAAXZVRWAIGE-QWRGUYRKSA-N 1 1 314.386 -1.690 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911471432 663146673 /nfs/dbraw/zinc/14/66/73/663146673.db2.gz UZLLJOUAGBHXEK-RYUDHWBXSA-N 1 1 312.370 -1.813 20 0 DAADMO NOCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911507395 663148244 /nfs/dbraw/zinc/14/82/44/663148244.db2.gz WOWHQMDDSRKERX-LBPRGKRZSA-N 1 1 314.386 -1.436 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000911608169 663149745 /nfs/dbraw/zinc/14/97/45/663149745.db2.gz ZUSINGAOMNYUTO-FBKDDSFISA-N 1 1 300.355 -1.176 20 0 DAADMO CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000911703062 663150464 /nfs/dbraw/zinc/15/04/64/663150464.db2.gz VBDIACBTMUEECA-KGLIPLIRSA-N 1 1 323.441 -1.440 20 0 DAADMO O=C(CNC(=O)c1ccc2c(n1)CNCC2)N1CC[NH2+]CC1 ZINC000911702900 663150852 /nfs/dbraw/zinc/15/08/52/663150852.db2.gz ROYVYZSAEBBTOE-UHFFFAOYSA-N 1 1 303.366 -1.111 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@]2(O)CCOC2)C1 ZINC000911858617 663151231 /nfs/dbraw/zinc/15/12/31/663151231.db2.gz IVKXPDKLTZRQCG-AWEZNQCLSA-N 1 1 302.371 -1.057 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)Cn2cnc(N)n2)C1 ZINC000911859762 663151371 /nfs/dbraw/zinc/15/13/71/663151371.db2.gz VRRALEIYHAKYBZ-UHFFFAOYSA-N 1 1 312.374 -1.334 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@]2(O)CCOC2)C1 ZINC000911858618 663151396 /nfs/dbraw/zinc/15/13/96/663151396.db2.gz IVKXPDKLTZRQCG-CQSZACIVSA-N 1 1 302.371 -1.057 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 ZINC000911901747 663152009 /nfs/dbraw/zinc/15/20/09/663152009.db2.gz LFCXEYGULYXFRW-UHFFFAOYSA-N 1 1 321.429 -1.058 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000911901747 663152013 /nfs/dbraw/zinc/15/20/13/663152013.db2.gz LFCXEYGULYXFRW-UHFFFAOYSA-N 1 1 321.429 -1.058 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000911901747 663152016 /nfs/dbraw/zinc/15/20/16/663152016.db2.gz LFCXEYGULYXFRW-UHFFFAOYSA-N 1 1 321.429 -1.058 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 ZINC000911974921 663152273 /nfs/dbraw/zinc/15/22/73/663152273.db2.gz AWCARIXSKAAMRZ-UHFFFAOYSA-N 1 1 307.402 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3COCCN3C)CC2)n1 ZINC000991371346 663152467 /nfs/dbraw/zinc/15/24/67/663152467.db2.gz CWHBYRYSFQGSCQ-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000912054722 663152598 /nfs/dbraw/zinc/15/25/98/663152598.db2.gz QOCKLMYLAKHILD-RISCZKNCSA-N 1 1 308.386 -1.081 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912396462 663152996 /nfs/dbraw/zinc/15/29/96/663152996.db2.gz PKYRZTKBAFSLRR-NEPJUHHUSA-N 1 1 319.427 -1.592 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912396462 663152997 /nfs/dbraw/zinc/15/29/97/663152997.db2.gz PKYRZTKBAFSLRR-NEPJUHHUSA-N 1 1 319.427 -1.592 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000912387864 663153112 /nfs/dbraw/zinc/15/31/12/663153112.db2.gz CLEPKTITCFJYDM-MRVWCRGKSA-N 1 1 302.371 -1.274 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000912387864 663153115 /nfs/dbraw/zinc/15/31/15/663153115.db2.gz CLEPKTITCFJYDM-MRVWCRGKSA-N 1 1 302.371 -1.274 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912394253 663153350 /nfs/dbraw/zinc/15/33/50/663153350.db2.gz DKNCJHUARFGYOW-WZRBSPASSA-N 1 1 320.411 -1.239 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000912599089 663153772 /nfs/dbraw/zinc/15/37/72/663153772.db2.gz IQPUMBZAYVIBTJ-OLZOCXBDSA-N 1 1 323.397 -1.201 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000912599088 663154069 /nfs/dbraw/zinc/15/40/69/663154069.db2.gz IQPUMBZAYVIBTJ-CHWSQXEVSA-N 1 1 323.397 -1.201 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CCN1C(=O)CCNC1=S ZINC000912603467 663154083 /nfs/dbraw/zinc/15/40/83/663154083.db2.gz GNWVCPGBTUQMAE-UHFFFAOYSA-N 1 1 316.427 -1.134 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000912610797 663154097 /nfs/dbraw/zinc/15/40/97/663154097.db2.gz MRPRXUNGYRYDDY-WAYWQWQTSA-N 1 1 324.381 -1.520 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740848 663154823 /nfs/dbraw/zinc/15/48/23/663154823.db2.gz FDYIWCWFFDDSHL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740848 663154826 /nfs/dbraw/zinc/15/48/26/663154826.db2.gz FDYIWCWFFDDSHL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740903 663154988 /nfs/dbraw/zinc/15/49/88/663154988.db2.gz GPXDQBBEWVONTN-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740903 663154989 /nfs/dbraw/zinc/15/49/89/663154989.db2.gz GPXDQBBEWVONTN-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000912715047 663155052 /nfs/dbraw/zinc/15/50/52/663155052.db2.gz LUQPNTGKJIQANU-STQMWFEESA-N 1 1 311.382 -1.099 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000912715045 663155127 /nfs/dbraw/zinc/15/51/27/663155127.db2.gz LUQPNTGKJIQANU-OLZOCXBDSA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](CO)C1 ZINC000912746233 663155152 /nfs/dbraw/zinc/15/51/52/663155152.db2.gz DXFBHVGVLDBOBA-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@@H](CO)C1 ZINC000912746233 663155154 /nfs/dbraw/zinc/15/51/54/663155154.db2.gz DXFBHVGVLDBOBA-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)C[C@H]2CO)C1=O ZINC000912750330 663155505 /nfs/dbraw/zinc/15/55/05/663155505.db2.gz ZCFFSSCYOQWYJX-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1=O ZINC000912750330 663155506 /nfs/dbraw/zinc/15/55/06/663155506.db2.gz ZCFFSSCYOQWYJX-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](CO)C1 ZINC000912749002 663155731 /nfs/dbraw/zinc/15/57/31/663155731.db2.gz MJDBNKGOVGFNJG-LLVKDONJSA-N 1 1 317.349 -1.074 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@@H](CO)C1 ZINC000912749002 663155734 /nfs/dbraw/zinc/15/57/34/663155734.db2.gz MJDBNKGOVGFNJG-LLVKDONJSA-N 1 1 317.349 -1.074 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@]12CCC(=O)N1CCS2 ZINC000913192047 663156393 /nfs/dbraw/zinc/15/63/93/663156393.db2.gz QLKDZOMUFVBDIU-OLZOCXBDSA-N 1 1 315.395 -1.481 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CNC(=O)c2ccccc21 ZINC000913196560 663156460 /nfs/dbraw/zinc/15/64/60/663156460.db2.gz PWGPOAPFBGASTG-CJNGLKHVSA-N 1 1 319.361 -1.019 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1(N2CCOCC2)CCC1 ZINC000913184044 663156477 /nfs/dbraw/zinc/15/64/77/663156477.db2.gz YFTZKHRLRIZZRR-AWEZNQCLSA-N 1 1 313.398 -1.292 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1(C(=O)NC2CC2)CCC1 ZINC000913188979 663156520 /nfs/dbraw/zinc/15/65/20/663156520.db2.gz OWHSZRSEIIVGBL-CQSZACIVSA-N 1 1 311.382 -1.098 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1COCCN1CC(F)F ZINC000913185049 663156564 /nfs/dbraw/zinc/15/65/64/663156564.db2.gz KABTXDQEDJABQZ-GXFFZTMASA-N 1 1 323.340 -1.581 20 0 DAADMO Cc1sc(=O)n(CC(=O)NC[C@]2(CO)COCC[NH2+]2)c1C ZINC000913189903 663156582 /nfs/dbraw/zinc/15/65/82/663156582.db2.gz GOPKFIGFPNVEMN-ZDUSSCGKSA-N 1 1 315.395 -1.006 20 0 DAADMO CC(C)CN1C[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC000913190598 663156628 /nfs/dbraw/zinc/15/66/28/663156628.db2.gz FHABXRHQAXLIAS-DOMZBBRYSA-N 1 1 313.398 -1.042 20 0 DAADMO CC(C)(C(=O)NC[C@]1(CO)COCC[NH2+]1)N1CCOCC1 ZINC000913184591 663156698 /nfs/dbraw/zinc/15/66/98/663156698.db2.gz FCJMFLCNEVRBBH-AWEZNQCLSA-N 1 1 301.387 -1.436 20 0 DAADMO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189229 663156764 /nfs/dbraw/zinc/15/67/64/663156764.db2.gz SHNGMDHHTHXKOI-ZWNOBZJWSA-N 1 1 317.411 -1.235 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC12COCCN1CCOC2 ZINC000913305120 663157066 /nfs/dbraw/zinc/15/70/66/663157066.db2.gz QOXVPXRHCKCUOX-UHFFFAOYSA-N 1 1 313.398 -1.074 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)c1=O ZINC000991473543 663158735 /nfs/dbraw/zinc/15/87/35/663158735.db2.gz ORUVFIUOPXJTOQ-FZMZJTMJSA-N 1 1 309.370 -1.313 20 0 DAADMO COCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991486258 663159363 /nfs/dbraw/zinc/15/93/63/663159363.db2.gz PVXKLXZQXUFKCL-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031532 663159488 /nfs/dbraw/zinc/15/94/88/663159488.db2.gz ISEPBFZIIOFTED-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031532 663159489 /nfs/dbraw/zinc/15/94/89/663159489.db2.gz ISEPBFZIIOFTED-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030031557 663159694 /nfs/dbraw/zinc/15/96/94/663159694.db2.gz STSNTYCSXUKXRG-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030031557 663159697 /nfs/dbraw/zinc/15/96/97/663159697.db2.gz STSNTYCSXUKXRG-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC000947323015 663160696 /nfs/dbraw/zinc/16/06/96/663160696.db2.gz GLVUUSZIVHOUMQ-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nnc(C(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000947860260 663161033 /nfs/dbraw/zinc/16/10/33/663161033.db2.gz QSTDPDAPRZBWRS-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC000947324002 663161263 /nfs/dbraw/zinc/16/12/63/663161263.db2.gz ONLMYGMOKVQAKT-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324016 663161306 /nfs/dbraw/zinc/16/13/06/663161306.db2.gz OWACRVSVEDZRML-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC000947313781 663164564 /nfs/dbraw/zinc/16/45/64/663164564.db2.gz CKBCUTQFAAEWRA-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO O=C(Cn1cnnn1)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030091378 663164631 /nfs/dbraw/zinc/16/46/31/663164631.db2.gz YONWMMLPVLQNFW-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030160810 663167534 /nfs/dbraw/zinc/16/75/34/663167534.db2.gz HEHRLMBFDVSFNL-LLVKDONJSA-N 1 1 309.370 -1.567 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180178 663169414 /nfs/dbraw/zinc/16/94/14/663169414.db2.gz LVIOTPZLGJOUOK-MFKMUULPSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180178 663169417 /nfs/dbraw/zinc/16/94/17/663169417.db2.gz LVIOTPZLGJOUOK-MFKMUULPSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030182751 663169545 /nfs/dbraw/zinc/16/95/45/663169545.db2.gz NDYLKYKVEKNQCT-MWLCHTKSSA-N 1 1 309.374 -1.598 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030182751 663169546 /nfs/dbraw/zinc/16/95/46/663169546.db2.gz NDYLKYKVEKNQCT-MWLCHTKSSA-N 1 1 309.374 -1.598 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)Nc3ccon3)C2)C1 ZINC001030179874 663169600 /nfs/dbraw/zinc/16/96/00/663169600.db2.gz GKHFSBROFZFPPV-LLVKDONJSA-N 1 1 323.353 -1.256 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)Nc3ccon3)C2)C1 ZINC001030179874 663169601 /nfs/dbraw/zinc/16/96/01/663169601.db2.gz GKHFSBROFZFPPV-LLVKDONJSA-N 1 1 323.353 -1.256 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030182749 663169967 /nfs/dbraw/zinc/16/99/67/663169967.db2.gz NDYLKYKVEKNQCT-KOLCDFICSA-N 1 1 309.374 -1.598 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030182749 663169968 /nfs/dbraw/zinc/16/99/68/663169968.db2.gz NDYLKYKVEKNQCT-KOLCDFICSA-N 1 1 309.374 -1.598 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991613091 663171358 /nfs/dbraw/zinc/17/13/58/663171358.db2.gz NFDPHYRAMQQQLA-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947761492 663177825 /nfs/dbraw/zinc/17/78/25/663177825.db2.gz LYDJKPHQMAVSAS-MNOVXSKESA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947761493 663178199 /nfs/dbraw/zinc/17/81/99/663178199.db2.gz LYDJKPHQMAVSAS-QWRGUYRKSA-N 1 1 324.381 -1.341 20 0 DAADMO O=C(CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001030348205 663180745 /nfs/dbraw/zinc/18/07/45/663180745.db2.gz RUPDHPWCUFYDLV-UONOGXRCSA-N 1 1 322.409 -1.118 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347602 663180957 /nfs/dbraw/zinc/18/09/57/663180957.db2.gz NGRQONRJQOODCV-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1ncnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347778 663180961 /nfs/dbraw/zinc/18/09/61/663180961.db2.gz PCWRLWQDGUFNQT-OLZOCXBDSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001030348547 663181040 /nfs/dbraw/zinc/18/10/40/663181040.db2.gz USLUOFUGDFPNAB-NEPJUHHUSA-N 1 1 321.385 -1.626 20 0 DAADMO Cn1ncnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347779 663181096 /nfs/dbraw/zinc/18/10/96/663181096.db2.gz PCWRLWQDGUFNQT-QWHCGFSZSA-N 1 1 320.397 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000938288630 663181529 /nfs/dbraw/zinc/18/15/29/663181529.db2.gz DHHPVHSMVLZOIR-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H]1CO ZINC000913555311 663182001 /nfs/dbraw/zinc/18/20/01/663182001.db2.gz ZWHJQRVHFKMNPE-NSHDSACASA-N 1 1 324.381 -1.014 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H]1CO ZINC000913555311 663182003 /nfs/dbraw/zinc/18/20/03/663182003.db2.gz ZWHJQRVHFKMNPE-NSHDSACASA-N 1 1 324.381 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CCN3CCOCC3)C2)C1 ZINC000991709056 663183930 /nfs/dbraw/zinc/18/39/30/663183930.db2.gz JJDBWCBLEYGQCR-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000991709586 663184008 /nfs/dbraw/zinc/18/40/08/663184008.db2.gz KMDIAJZHZTTZSM-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000991709754 663184026 /nfs/dbraw/zinc/18/40/26/663184026.db2.gz LKQDRQYFMYOHOZ-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000991713025 663184471 /nfs/dbraw/zinc/18/44/71/663184471.db2.gz SWISOZDBUOCZRE-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000991711387 663184481 /nfs/dbraw/zinc/18/44/81/663184481.db2.gz DVWWENYZZVIOFZ-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991711533 663184508 /nfs/dbraw/zinc/18/45/08/663184508.db2.gz PLKLZCHAAIYUDQ-VIFPVBQESA-N 1 1 308.338 -1.129 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000991713254 663184597 /nfs/dbraw/zinc/18/45/97/663184597.db2.gz UYTGLLCJQIFHKX-VIFPVBQESA-N 1 1 303.384 -1.690 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000991713250 663184681 /nfs/dbraw/zinc/18/46/81/663184681.db2.gz UYTGLLCJQIFHKX-SECBINFHSA-N 1 1 303.384 -1.690 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991713950 663184724 /nfs/dbraw/zinc/18/47/24/663184724.db2.gz XAUFGEOEFCVXSS-YPMHNXCESA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000991714447 663184883 /nfs/dbraw/zinc/18/48/83/663184883.db2.gz YHOCMPLACVUBHR-VIFPVBQESA-N 1 1 304.354 -1.049 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991713945 663184890 /nfs/dbraw/zinc/18/48/90/663184890.db2.gz XAUFGEOEFCVXSS-DGCLKSJQSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991714580 663185247 /nfs/dbraw/zinc/18/52/47/663185247.db2.gz ZIVOAGWSLWWNBO-YPMHNXCESA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000991716322 663185490 /nfs/dbraw/zinc/18/54/90/663185490.db2.gz CRLGCTDHZLRBKJ-MEBBXXQBSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000991720506 663186014 /nfs/dbraw/zinc/18/60/14/663186014.db2.gz APEMWTNNLYPPSK-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000991721228 663186844 /nfs/dbraw/zinc/18/68/44/663186844.db2.gz MLNKCXYGAHRMBM-LLVKDONJSA-N 1 1 324.381 -1.876 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N1CCOCC1 ZINC000991721812 663187413 /nfs/dbraw/zinc/18/74/13/663187413.db2.gz FFVVJSYMYCTOEG-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991723878 663187702 /nfs/dbraw/zinc/18/77/02/663187702.db2.gz UJNFOBKZPJNUOJ-SCZZXKLOSA-N 1 1 323.353 -2.137 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991725693 663187724 /nfs/dbraw/zinc/18/77/24/663187724.db2.gz ZNHHHDHNWJXDMG-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991725695 663187931 /nfs/dbraw/zinc/18/79/31/663187931.db2.gz ZNHHHDHNWJXDMG-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC000991729345 663189020 /nfs/dbraw/zinc/18/90/20/663189020.db2.gz AZTZEYWDENTIMA-VHSXEESVSA-N 1 1 309.326 -2.245 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000991731507 663189802 /nfs/dbraw/zinc/18/98/02/663189802.db2.gz SZWSUVWZSHTOTE-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)S(C)(=O)=O ZINC000991739679 663191735 /nfs/dbraw/zinc/19/17/35/663191735.db2.gz PYGQVWSIVZTDOM-ZJUUUORDSA-N 1 1 317.411 -1.302 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000991746463 663192512 /nfs/dbraw/zinc/19/25/12/663192512.db2.gz BAXMLCWGJYVARP-UHFFFAOYSA-N 1 1 303.326 -1.121 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000991749277 663192545 /nfs/dbraw/zinc/19/25/45/663192545.db2.gz MTGCXNWROALQBL-UHFFFAOYSA-N 1 1 305.338 -1.216 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000991752640 663193092 /nfs/dbraw/zinc/19/30/92/663193092.db2.gz HQBPODXFHKJBQA-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000991752864 663193114 /nfs/dbraw/zinc/19/31/14/663193114.db2.gz JDDCRPZKOOQSGM-UHFFFAOYSA-N 1 1 319.325 -1.484 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000991752026 663193175 /nfs/dbraw/zinc/19/31/75/663193175.db2.gz WUYSNVWIADNTTP-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000991755954 663194161 /nfs/dbraw/zinc/19/41/61/663194161.db2.gz QMHJFTJECRQTGJ-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC000947986550 663195609 /nfs/dbraw/zinc/19/56/09/663195609.db2.gz YGRKNBCIIQLXEC-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)c(=O)n1C ZINC000947986550 663195611 /nfs/dbraw/zinc/19/56/11/663195611.db2.gz YGRKNBCIIQLXEC-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030461187 663196271 /nfs/dbraw/zinc/19/62/71/663196271.db2.gz GTIYZRKEACYJSK-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030461188 663196411 /nfs/dbraw/zinc/19/64/11/663196411.db2.gz GTIYZRKEACYJSK-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)O1 ZINC001030516059 663199358 /nfs/dbraw/zinc/19/93/58/663199358.db2.gz RYKRPYKJFNNHSQ-RAIGVLPGSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)O1 ZINC001030516059 663199365 /nfs/dbraw/zinc/19/93/65/663199365.db2.gz RYKRPYKJFNNHSQ-RAIGVLPGSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cnnn3C)C2)O1 ZINC001030515577 663199501 /nfs/dbraw/zinc/19/95/01/663199501.db2.gz AZXGINIOOLYPJF-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cnnn3C)C2)O1 ZINC001030515577 663199504 /nfs/dbraw/zinc/19/95/04/663199504.db2.gz AZXGINIOOLYPJF-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)O1 ZINC001030516680 663199567 /nfs/dbraw/zinc/19/95/67/663199567.db2.gz JJAJNDCGTBZVPL-RAIGVLPGSA-N 1 1 310.398 -1.263 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)O1 ZINC001030516680 663199569 /nfs/dbraw/zinc/19/95/69/663199569.db2.gz JJAJNDCGTBZVPL-RAIGVLPGSA-N 1 1 310.398 -1.263 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030517050 663199585 /nfs/dbraw/zinc/19/95/85/663199585.db2.gz RCNDOFROLLIUJP-NTZNESFSSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030517050 663199588 /nfs/dbraw/zinc/19/95/88/663199588.db2.gz RCNDOFROLLIUJP-NTZNESFSSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3nncn3C)C2)O1 ZINC001030516200 663199680 /nfs/dbraw/zinc/19/96/80/663199680.db2.gz YLVIMILGUFYVMM-ZYHUDNBSSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3nncn3C)C2)O1 ZINC001030516200 663199681 /nfs/dbraw/zinc/19/96/81/663199681.db2.gz YLVIMILGUFYVMM-ZYHUDNBSSA-N 1 1 308.386 -1.165 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)n1 ZINC001030584852 663202256 /nfs/dbraw/zinc/20/22/56/663202256.db2.gz JHSGNLCSYUJHAQ-UHFFFAOYSA-N 1 1 320.357 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991877569 663205192 /nfs/dbraw/zinc/20/51/92/663205192.db2.gz WCTCULKQHKKEJO-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@@H+]1CC(N)=O ZINC000948013070 663208261 /nfs/dbraw/zinc/20/82/61/663208261.db2.gz SQKMPGADYZPCCU-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(N)=O ZINC000948013070 663208264 /nfs/dbraw/zinc/20/82/64/663208264.db2.gz SQKMPGADYZPCCU-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017139 663208398 /nfs/dbraw/zinc/20/83/98/663208398.db2.gz TZJSXZFCIJGCDJ-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000991914681 663210643 /nfs/dbraw/zinc/21/06/43/663210643.db2.gz RBJZEUHXNHUGOP-VIFPVBQESA-N 1 1 315.395 -1.690 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 ZINC000991921974 663211087 /nfs/dbraw/zinc/21/10/87/663211087.db2.gz MOSNWBRQERHZHM-NSHDSACASA-N 1 1 315.395 -1.548 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@H+](C)[C@H](CO)C2)c(=O)n(C)c1=O ZINC000913557124 663211206 /nfs/dbraw/zinc/21/12/06/663211206.db2.gz UGLKOCMVBZGRRA-RXNFCKPNSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c(=O)n(C)c1=O ZINC000913557124 663211211 /nfs/dbraw/zinc/21/12/11/663211211.db2.gz UGLKOCMVBZGRRA-RXNFCKPNSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)ncc1=O ZINC000991930844 663212137 /nfs/dbraw/zinc/21/21/37/663212137.db2.gz IURGEGZIMZVBMW-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)ncc1=O ZINC000991930844 663212142 /nfs/dbraw/zinc/21/21/42/663212142.db2.gz IURGEGZIMZVBMW-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991948052 663213566 /nfs/dbraw/zinc/21/35/66/663213566.db2.gz FFKHQEMILLJVME-JQWIXIFHSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991948053 663213919 /nfs/dbraw/zinc/21/39/19/663213919.db2.gz FFKHQEMILLJVME-PWSUYJOCSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)O1 ZINC000991961332 663214660 /nfs/dbraw/zinc/21/46/60/663214660.db2.gz WPSKQHYEUKEJAB-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)O1 ZINC000991961332 663214668 /nfs/dbraw/zinc/21/46/68/663214668.db2.gz WPSKQHYEUKEJAB-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO CNC(=O)CN1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704229 663215077 /nfs/dbraw/zinc/21/50/77/663215077.db2.gz ZFVXFIXRKBRIIJ-WBFHCKIUSA-N 1 1 308.382 -1.604 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953904763 663215830 /nfs/dbraw/zinc/21/58/30/663215830.db2.gz JWLKTXYSUNUKOS-SNVBAGLBSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnc(C(=O)NC2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000991991654 663216376 /nfs/dbraw/zinc/21/63/76/663216376.db2.gz UPTTULXICDQVBO-VQXHTEKXSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)CC[N@H+]1C ZINC000992086664 663220352 /nfs/dbraw/zinc/22/03/52/663220352.db2.gz FYOUYSNNVHYLTL-IEBDPFPHSA-N 1 1 310.354 -1.238 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992106876 663220366 /nfs/dbraw/zinc/22/03/66/663220366.db2.gz HVSBUJCGNXANKO-IUODEOHRSA-N 1 1 310.398 -1.476 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992106881 663220490 /nfs/dbraw/zinc/22/04/90/663220490.db2.gz HVSBUJCGNXANKO-WFASDCNBSA-N 1 1 310.398 -1.476 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992106262 663220561 /nfs/dbraw/zinc/22/05/61/663220561.db2.gz FESACNIRQHUYGE-XEZPLFJOSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC000992088276 663220760 /nfs/dbraw/zinc/22/07/60/663220760.db2.gz WCZMAYGDUXBQRC-MWLCHTKSSA-N 1 1 317.411 -1.302 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)CC[N@H+]1C ZINC000992087213 663220808 /nfs/dbraw/zinc/22/08/08/663220808.db2.gz OCSVMVNJZRBXBW-MWLCHTKSSA-N 1 1 322.369 -1.349 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992115234 663221007 /nfs/dbraw/zinc/22/10/07/663221007.db2.gz BILPKYSIWWRBFV-RNCFNFMXSA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992115234 663221013 /nfs/dbraw/zinc/22/10/13/663221013.db2.gz BILPKYSIWWRBFV-RNCFNFMXSA-N 1 1 307.358 -1.317 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC000992111371 663221147 /nfs/dbraw/zinc/22/11/47/663221147.db2.gz XXCANXQDGNNKON-CJNGLKHVSA-N 1 1 324.425 -1.086 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000992121209 663221170 /nfs/dbraw/zinc/22/11/70/663221170.db2.gz UUKZKLNIHIETBA-CXQJBGSLSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992116969 663221252 /nfs/dbraw/zinc/22/12/52/663221252.db2.gz IDSKQQXWEBKCNJ-VYUIOLGVSA-N 1 1 307.358 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992116969 663221256 /nfs/dbraw/zinc/22/12/56/663221256.db2.gz IDSKQQXWEBKCNJ-VYUIOLGVSA-N 1 1 307.358 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992116970 663221315 /nfs/dbraw/zinc/22/13/15/663221315.db2.gz IDSKQQXWEBKCNJ-ZDMBXUJBSA-N 1 1 307.358 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992116970 663221319 /nfs/dbraw/zinc/22/13/19/663221319.db2.gz IDSKQQXWEBKCNJ-ZDMBXUJBSA-N 1 1 307.358 -1.189 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)NC1=O ZINC000992131935 663221662 /nfs/dbraw/zinc/22/16/62/663221662.db2.gz NNYFSWHCIAUQGL-RULNRJAQSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC000992131935 663221664 /nfs/dbraw/zinc/22/16/64/663221664.db2.gz NNYFSWHCIAUQGL-RULNRJAQSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)NC1=O ZINC000992131931 663221884 /nfs/dbraw/zinc/22/18/84/663221884.db2.gz NNYFSWHCIAUQGL-ISTVAULSSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC000992131931 663221888 /nfs/dbraw/zinc/22/18/88/663221888.db2.gz NNYFSWHCIAUQGL-ISTVAULSSA-N 1 1 309.370 -1.392 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030785914 663222310 /nfs/dbraw/zinc/22/23/10/663222310.db2.gz LNBLVVVEFFRDBS-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030785915 663222452 /nfs/dbraw/zinc/22/24/52/663222452.db2.gz LNBLVVVEFFRDBS-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC000992141579 663222776 /nfs/dbraw/zinc/22/27/76/663222776.db2.gz ICVCWFQHDYMBEV-HZMBPMFUSA-N 1 1 309.370 -1.390 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC000992141585 663223032 /nfs/dbraw/zinc/22/30/32/663223032.db2.gz ICVCWFQHDYMBEV-YGRLFVJLSA-N 1 1 309.370 -1.390 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992145673 663223386 /nfs/dbraw/zinc/22/33/86/663223386.db2.gz QDFQATAVUZDWNY-QIBSRJKCSA-N 1 1 308.338 -1.610 20 0 DAADMO CN1C[C@H](C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)NC1=O ZINC001030792793 663223589 /nfs/dbraw/zinc/22/35/89/663223589.db2.gz AVYYTKHMNMEHIG-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@H]12 ZINC000992151313 663224107 /nfs/dbraw/zinc/22/41/07/663224107.db2.gz HNQWNUOFYPUWFX-ISTVAULSSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@H]12 ZINC000992151316 663224187 /nfs/dbraw/zinc/22/41/87/663224187.db2.gz HNQWNUOFYPUWFX-PKFCDNJMSA-N 1 1 309.370 -1.473 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160497 663224828 /nfs/dbraw/zinc/22/48/28/663224828.db2.gz NTKMBXHFQOPNPY-NHYWBVRUSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCOCC1)CC2 ZINC000992160497 663224829 /nfs/dbraw/zinc/22/48/29/663224829.db2.gz NTKMBXHFQOPNPY-NHYWBVRUSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC000992170401 663225359 /nfs/dbraw/zinc/22/53/59/663225359.db2.gz MSFVKYKOSHFODY-ZUZCIYMTSA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC000992170398 663225453 /nfs/dbraw/zinc/22/54/53/663225453.db2.gz MSFVKYKOSHFODY-MEBBXXQBSA-N 1 1 322.365 -1.266 20 0 DAADMO Cn1nnc(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)n1 ZINC001030804903 663225477 /nfs/dbraw/zinc/22/54/77/663225477.db2.gz GLLHRWLCGOVXQO-SECBINFHSA-N 1 1 307.358 -1.460 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N(C)C)C2)C1 ZINC001030839947 663227419 /nfs/dbraw/zinc/22/74/19/663227419.db2.gz VGKBGQZXBXXASK-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N(C)C)C2)C1 ZINC001030839947 663227421 /nfs/dbraw/zinc/22/74/21/663227421.db2.gz VGKBGQZXBXXASK-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO O=C(N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@@H]1CC(=O)NC(=O)N1 ZINC000992280215 663228850 /nfs/dbraw/zinc/22/88/50/663228850.db2.gz AMGIKNLDTNDJPZ-PKFCDNJMSA-N 1 1 310.354 -1.310 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992322729 663232170 /nfs/dbraw/zinc/23/21/70/663232170.db2.gz GWPCKAYWJPHDLI-ZUZCIYMTSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992322729 663232173 /nfs/dbraw/zinc/23/21/73/663232173.db2.gz GWPCKAYWJPHDLI-ZUZCIYMTSA-N 1 1 322.365 -1.362 20 0 DAADMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000914071511 663240245 /nfs/dbraw/zinc/24/02/45/663240245.db2.gz SLQSXIAALZKQAE-IJLUTSLNSA-N 1 1 308.400 -1.224 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000914071511 663240251 /nfs/dbraw/zinc/24/02/51/663240251.db2.gz SLQSXIAALZKQAE-IJLUTSLNSA-N 1 1 308.400 -1.224 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000992399343 663234503 /nfs/dbraw/zinc/23/45/03/663234503.db2.gz IFBKTXMLAMGGSJ-WDEREUQCSA-N 1 1 321.385 -1.119 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1=O ZINC000992462537 663235898 /nfs/dbraw/zinc/23/58/98/663235898.db2.gz HTCJWMOUPOJEJD-NHYWBVRUSA-N 1 1 324.381 -1.014 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913684476 663235996 /nfs/dbraw/zinc/23/59/96/663235996.db2.gz XJADUHJKEGHENS-SWLSCSKDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913684476 663235997 /nfs/dbraw/zinc/23/59/97/663235997.db2.gz XJADUHJKEGHENS-SWLSCSKDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)C1 ZINC000913775124 663236311 /nfs/dbraw/zinc/23/63/11/663236311.db2.gz ZZGJTXCOHQCUDS-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992471368 663236380 /nfs/dbraw/zinc/23/63/80/663236380.db2.gz GYFAJUHPVLHOJW-XPTSAGLGSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992471368 663236382 /nfs/dbraw/zinc/23/63/82/663236382.db2.gz GYFAJUHPVLHOJW-XPTSAGLGSA-N 1 1 323.353 -1.863 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000913776429 663236589 /nfs/dbraw/zinc/23/65/89/663236589.db2.gz NBYMJGFDTRXNAH-GYSYKLTISA-N 1 1 300.355 -1.032 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523849 663237612 /nfs/dbraw/zinc/23/76/12/663237612.db2.gz JPMVDFMEHGCJKT-ABAIWWIYSA-N 1 1 321.381 -1.064 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523849 663237617 /nfs/dbraw/zinc/23/76/17/663237617.db2.gz JPMVDFMEHGCJKT-ABAIWWIYSA-N 1 1 321.381 -1.064 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001030958216 663237885 /nfs/dbraw/zinc/23/78/85/663237885.db2.gz GKBFJZSPSISFAB-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001030959528 663238056 /nfs/dbraw/zinc/23/80/56/663238056.db2.gz JWVXLTIKHIYEMI-JTQLQIEISA-N 1 1 308.386 -1.249 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915906 663238299 /nfs/dbraw/zinc/23/82/99/663238299.db2.gz SBLANKNWEMWLMS-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000913915906 663238308 /nfs/dbraw/zinc/23/83/08/663238308.db2.gz SBLANKNWEMWLMS-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992545026 663238603 /nfs/dbraw/zinc/23/86/03/663238603.db2.gz JAZQXUFNWIDQCL-IQMDTDKHSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992545026 663238610 /nfs/dbraw/zinc/23/86/10/663238610.db2.gz JAZQXUFNWIDQCL-IQMDTDKHSA-N 1 1 322.365 -1.362 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000992581448 663240735 /nfs/dbraw/zinc/24/07/35/663240735.db2.gz MHGPPGIRRYIXKI-LLVKDONJSA-N 1 1 322.369 -1.226 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000992598509 663241100 /nfs/dbraw/zinc/24/11/00/663241100.db2.gz JCNYRYCLIPKYNP-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000992598509 663241101 /nfs/dbraw/zinc/24/11/01/663241101.db2.gz JCNYRYCLIPKYNP-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)C1 ZINC000992606040 663241300 /nfs/dbraw/zinc/24/13/00/663241300.db2.gz DLLDJFDRUMBZOA-NSHDSACASA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)C1 ZINC000992606040 663241303 /nfs/dbraw/zinc/24/13/03/663241303.db2.gz DLLDJFDRUMBZOA-NSHDSACASA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000992607620 663241340 /nfs/dbraw/zinc/24/13/40/663241340.db2.gz JCNYRYCLIPKYNP-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000992607620 663241346 /nfs/dbraw/zinc/24/13/46/663241346.db2.gz JCNYRYCLIPKYNP-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)C1 ZINC000992605997 663241477 /nfs/dbraw/zinc/24/14/77/663241477.db2.gz DBUTXLCUFBGNMV-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)C1 ZINC000992605997 663241478 /nfs/dbraw/zinc/24/14/78/663241478.db2.gz DBUTXLCUFBGNMV-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000992607512 663241493 /nfs/dbraw/zinc/24/14/93/663241493.db2.gz IYTSXCQBVLKAHF-JTQLQIEISA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000992607512 663241494 /nfs/dbraw/zinc/24/14/94/663241494.db2.gz IYTSXCQBVLKAHF-JTQLQIEISA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000992598512 663241519 /nfs/dbraw/zinc/24/15/19/663241519.db2.gz JCNYRYCLIPKYNP-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000992598512 663241520 /nfs/dbraw/zinc/24/15/20/663241520.db2.gz JCNYRYCLIPKYNP-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000992597030 663241575 /nfs/dbraw/zinc/24/15/75/663241575.db2.gz FABXWIXYCVMPRX-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000992597030 663241580 /nfs/dbraw/zinc/24/15/80/663241580.db2.gz FABXWIXYCVMPRX-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CC(N)=O)C[C@H]32)n1 ZINC000992640222 663242307 /nfs/dbraw/zinc/24/23/07/663242307.db2.gz QGVALSPBSNJFPJ-GMTAPVOTSA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000992691477 663242490 /nfs/dbraw/zinc/24/24/90/663242490.db2.gz WAMZOIVLNDWCIE-FIXISWKDSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](CNS(=O)(=O)[C@@H]1COC[C@H]1O)C[NH+]1CCN(C)CC1 ZINC000914186941 663242874 /nfs/dbraw/zinc/24/28/74/663242874.db2.gz CPPDUNGDSWZXMG-YNEHKIRRSA-N 1 1 321.443 -1.451 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 ZINC000992794987 663244539 /nfs/dbraw/zinc/24/45/39/663244539.db2.gz ZAGVOIDPFSUIFI-KXUCPTDWSA-N 1 1 307.358 -1.588 20 0 DAADMO C[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1CC(C)(C)O ZINC000914412950 663245143 /nfs/dbraw/zinc/24/51/43/663245143.db2.gz HURSPBQMHLGBSS-QJPTWQEYSA-N 1 1 322.427 -1.147 20 0 DAADMO C[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1CC(C)(C)O ZINC000914412950 663245149 /nfs/dbraw/zinc/24/51/49/663245149.db2.gz HURSPBQMHLGBSS-QJPTWQEYSA-N 1 1 322.427 -1.147 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000914315051 663245160 /nfs/dbraw/zinc/24/51/60/663245160.db2.gz JLXWQLKKMJWWCY-QWRGUYRKSA-N 1 1 317.415 -1.376 20 0 DAADMO CN1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)S1(=O)=O ZINC001031084697 663246255 /nfs/dbraw/zinc/24/62/55/663246255.db2.gz DSRSPVHYFHQPEO-ZYHUDNBSSA-N 1 1 317.411 -1.143 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000730570346 663248163 /nfs/dbraw/zinc/24/81/63/663248163.db2.gz ITAVYZHSUXHZDX-JTQLQIEISA-N 1 1 306.388 -1.056 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993015122 663248473 /nfs/dbraw/zinc/24/84/73/663248473.db2.gz OZSNTWOMVAOFKA-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993015122 663248474 /nfs/dbraw/zinc/24/84/74/663248474.db2.gz OZSNTWOMVAOFKA-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993015139 663248547 /nfs/dbraw/zinc/24/85/47/663248547.db2.gz OZSNTWOMVAOFKA-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993015139 663248550 /nfs/dbraw/zinc/24/85/50/663248550.db2.gz OZSNTWOMVAOFKA-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508955 663250420 /nfs/dbraw/zinc/25/04/20/663250420.db2.gz IGCRNJVIXUSIRE-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508955 663250429 /nfs/dbraw/zinc/25/04/29/663250429.db2.gz IGCRNJVIXUSIRE-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031117542 663250763 /nfs/dbraw/zinc/25/07/63/663250763.db2.gz UOKJMHLDBLOJGZ-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015507897 663250765 /nfs/dbraw/zinc/25/07/65/663250765.db2.gz FUMXXKMDYOZSNK-GHMZBOCLSA-N 1 1 309.370 -2.503 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015507897 663250766 /nfs/dbraw/zinc/25/07/66/663250766.db2.gz FUMXXKMDYOZSNK-GHMZBOCLSA-N 1 1 309.370 -2.503 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545522 663252009 /nfs/dbraw/zinc/25/20/09/663252009.db2.gz KORNLRQJKLDIDJ-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545522 663252015 /nfs/dbraw/zinc/25/20/15/663252015.db2.gz KORNLRQJKLDIDJ-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545523 663252200 /nfs/dbraw/zinc/25/22/00/663252200.db2.gz KORNLRQJKLDIDJ-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545523 663252208 /nfs/dbraw/zinc/25/22/08/663252208.db2.gz KORNLRQJKLDIDJ-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C)C[NH+]1CCOCC1 ZINC000929864118 663255322 /nfs/dbraw/zinc/25/53/22/663255322.db2.gz UMFJSBNNXMXPHP-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3COC[C@H]3O)[C@@H]2C1 ZINC000915433423 663256509 /nfs/dbraw/zinc/25/65/09/663256509.db2.gz XKXVWMPSUGNCQL-DDHJBXDOSA-N 1 1 306.384 -1.519 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)[C@@H]3COC[C@H]3O)[C@H]2C1 ZINC000915433425 663256678 /nfs/dbraw/zinc/25/66/78/663256678.db2.gz XKXVWMPSUGNCQL-WHOHXGKFSA-N 1 1 306.384 -1.519 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015635822 663257936 /nfs/dbraw/zinc/25/79/36/663257936.db2.gz XILCOGZSQNNSNT-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015643161 663259228 /nfs/dbraw/zinc/25/92/28/663259228.db2.gz JRWOGWGASSTVRM-MRVPVSSYSA-N 1 1 311.342 -2.007 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1=O ZINC001015643161 663259230 /nfs/dbraw/zinc/25/92/30/663259230.db2.gz JRWOGWGASSTVRM-MRVPVSSYSA-N 1 1 311.342 -2.007 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642402 663259286 /nfs/dbraw/zinc/25/92/86/663259286.db2.gz WALPCAIODUZYSA-DTWKUNHWSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642402 663259289 /nfs/dbraw/zinc/25/92/89/663259289.db2.gz WALPCAIODUZYSA-DTWKUNHWSA-N 1 1 312.326 -2.828 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCO ZINC000993329985 663260935 /nfs/dbraw/zinc/26/09/35/663260935.db2.gz CWFKXXGSKCLIBI-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993337827 663261224 /nfs/dbraw/zinc/26/12/24/663261224.db2.gz OASCVJRBCAOJKO-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CCn1cncn1 ZINC000993345690 663261667 /nfs/dbraw/zinc/26/16/67/663261667.db2.gz FNYPMAVLYAHSAT-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CCn1cncn1 ZINC000993345689 663261721 /nfs/dbraw/zinc/26/17/21/663261721.db2.gz FNYPMAVLYAHSAT-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993356796 663262051 /nfs/dbraw/zinc/26/20/51/663262051.db2.gz XDARZCQXHFEDIJ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993356796 663262053 /nfs/dbraw/zinc/26/20/53/663262053.db2.gz XDARZCQXHFEDIJ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1[nH]c(CN2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001031252499 663262259 /nfs/dbraw/zinc/26/22/59/663262259.db2.gz HLCQSGANUIPJFD-SNVBAGLBSA-N 1 1 308.386 -1.249 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993346086 663262498 /nfs/dbraw/zinc/26/24/98/663262498.db2.gz GCNQPFUYQYQLGZ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993346086 663262502 /nfs/dbraw/zinc/26/25/02/663262502.db2.gz GCNQPFUYQYQLGZ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993356799 663262552 /nfs/dbraw/zinc/26/25/52/663262552.db2.gz XDARZCQXHFEDIJ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993356799 663262555 /nfs/dbraw/zinc/26/25/55/663262555.db2.gz XDARZCQXHFEDIJ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993356802 663262615 /nfs/dbraw/zinc/26/26/15/663262615.db2.gz XDARZCQXHFEDIJ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993356802 663262618 /nfs/dbraw/zinc/26/26/18/663262618.db2.gz XDARZCQXHFEDIJ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001031260548 663264014 /nfs/dbraw/zinc/26/40/14/663264014.db2.gz QUQUBDNUXJRTTM-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993438796 663264379 /nfs/dbraw/zinc/26/43/79/663264379.db2.gz BXTRMGHFNGVONU-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993438796 663264380 /nfs/dbraw/zinc/26/43/80/663264380.db2.gz BXTRMGHFNGVONU-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@@H]1CCC(=O)N1 ZINC001031281374 663264393 /nfs/dbraw/zinc/26/43/93/663264393.db2.gz LAUNWZHQQXVELL-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000993477147 663265053 /nfs/dbraw/zinc/26/50/53/663265053.db2.gz RFPJEIRFEZDIKJ-NVBFEUDRSA-N 1 1 309.366 -1.320 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000993477147 663265056 /nfs/dbraw/zinc/26/50/56/663265056.db2.gz RFPJEIRFEZDIKJ-NVBFEUDRSA-N 1 1 309.366 -1.320 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000993567674 663266967 /nfs/dbraw/zinc/26/69/67/663266967.db2.gz LLPQYQHEEGEPCU-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000993567674 663266969 /nfs/dbraw/zinc/26/69/69/663266969.db2.gz LLPQYQHEEGEPCU-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000993575137 663267223 /nfs/dbraw/zinc/26/72/23/663267223.db2.gz FOCSRVLWTVBRTA-GHMZBOCLSA-N 1 1 310.354 -1.948 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCCNC2=O)CCC[N@@H+]1CC(N)=O ZINC000993574419 663267233 /nfs/dbraw/zinc/26/72/33/663267233.db2.gz WVIDRXKGTJDLOQ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCCNC2=O)CCC[N@H+]1CC(N)=O ZINC000993574419 663267236 /nfs/dbraw/zinc/26/72/36/663267236.db2.gz WVIDRXKGTJDLOQ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(NC1CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993581447 663267430 /nfs/dbraw/zinc/26/74/30/663267430.db2.gz ROXPHCCJCRUJFG-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)c2cnon2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993574026 663267455 /nfs/dbraw/zinc/26/74/55/663267455.db2.gz CPSJODNDZQFCNZ-ZYHUDNBSSA-N 1 1 321.337 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CCO ZINC000993563712 663267499 /nfs/dbraw/zinc/26/74/99/663267499.db2.gz DXEWWSBRLQXVGI-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000993567675 663267514 /nfs/dbraw/zinc/26/75/14/663267514.db2.gz LLPQYQHEEGEPCU-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000993567675 663267515 /nfs/dbraw/zinc/26/75/15/663267515.db2.gz LLPQYQHEEGEPCU-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO O=C(NC1CN(C(=O)c2cnon2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993574003 663267715 /nfs/dbraw/zinc/26/77/15/663267715.db2.gz CPSJODNDZQFCNZ-JQWIXIFHSA-N 1 1 321.337 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@@H+]1CC(N)=O ZINC000993700139 663268755 /nfs/dbraw/zinc/26/87/55/663268755.db2.gz LILFTYKSFDUSQD-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CC(N)=O ZINC000993700139 663268756 /nfs/dbraw/zinc/26/87/56/663268756.db2.gz LILFTYKSFDUSQD-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000993724512 663268898 /nfs/dbraw/zinc/26/88/98/663268898.db2.gz ALUWRPFYRNBUCM-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000993724512 663268900 /nfs/dbraw/zinc/26/89/00/663268900.db2.gz ALUWRPFYRNBUCM-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000993792053 663269036 /nfs/dbraw/zinc/26/90/36/663269036.db2.gz QMLINRGNRAGZHP-NSHDSACASA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000993776984 663269935 /nfs/dbraw/zinc/26/99/35/663269935.db2.gz CAYLNLRAKCATML-LLVKDONJSA-N 1 1 319.365 -1.003 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000993805674 663271009 /nfs/dbraw/zinc/27/10/09/663271009.db2.gz IDESYHOWYAOKGF-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993931549 663271998 /nfs/dbraw/zinc/27/19/98/663271998.db2.gz YLPQPVXEHLRSDI-LBPRGKRZSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC000994005071 663273623 /nfs/dbraw/zinc/27/36/23/663273623.db2.gz VBQSNZGGEALMOM-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994004546 663273639 /nfs/dbraw/zinc/27/36/39/663273639.db2.gz SIDNKRYGCGJVPP-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994004546 663273644 /nfs/dbraw/zinc/27/36/44/663273644.db2.gz SIDNKRYGCGJVPP-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000994040365 663274790 /nfs/dbraw/zinc/27/47/90/663274790.db2.gz MFWWYNJLLFQQAG-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000994040365 663274797 /nfs/dbraw/zinc/27/47/97/663274797.db2.gz MFWWYNJLLFQQAG-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000994040362 663274833 /nfs/dbraw/zinc/27/48/33/663274833.db2.gz MFWWYNJLLFQQAG-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000994040362 663274834 /nfs/dbraw/zinc/27/48/34/663274834.db2.gz MFWWYNJLLFQQAG-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994012439 663274862 /nfs/dbraw/zinc/27/48/62/663274862.db2.gz RIIMVXRBZBIRMF-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCC[N@H+]1CCO ZINC000994213758 663278436 /nfs/dbraw/zinc/27/84/36/663278436.db2.gz STNUVXUEHKBBBA-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1COC[C@H]1O ZINC000916015445 663279255 /nfs/dbraw/zinc/27/92/55/663279255.db2.gz SAFBLIIHIWNFKB-QJPTWQEYSA-N 1 1 308.400 -1.488 20 0 DAADMO COC(=O)[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+](C)C1 ZINC000916302771 663280090 /nfs/dbraw/zinc/28/00/90/663280090.db2.gz JXLKPECIKOTNSP-GMTAPVOTSA-N 1 1 322.383 -1.888 20 0 DAADMO COC(=O)[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+](C)C1 ZINC000916302771 663280094 /nfs/dbraw/zinc/28/00/94/663280094.db2.gz JXLKPECIKOTNSP-GMTAPVOTSA-N 1 1 322.383 -1.888 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@@H+]1CC(N)=O ZINC000994369276 663283323 /nfs/dbraw/zinc/28/33/23/663283323.db2.gz XKAOVICNTKAYIC-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CC(N)=O ZINC000994369276 663283328 /nfs/dbraw/zinc/28/33/28/663283328.db2.gz XKAOVICNTKAYIC-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000994410055 663284668 /nfs/dbraw/zinc/28/46/68/663284668.db2.gz HJQMTFHOQLLRNA-SCZZXKLOSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000994410055 663284673 /nfs/dbraw/zinc/28/46/73/663284673.db2.gz HJQMTFHOQLLRNA-SCZZXKLOSA-N 1 1 323.353 -1.446 20 0 DAADMO COCC(COC)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917066029 663285987 /nfs/dbraw/zinc/28/59/87/663285987.db2.gz FHLGTGDPWZBGBQ-GFCCVEGCSA-N 1 1 321.443 -1.043 20 0 DAADMO COCC(COC)S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917066029 663285990 /nfs/dbraw/zinc/28/59/90/663285990.db2.gz FHLGTGDPWZBGBQ-GFCCVEGCSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCCO ZINC000994454978 663286244 /nfs/dbraw/zinc/28/62/44/663286244.db2.gz AFQKNAQBLBKCMP-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO COC[C@@H](CS(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)OC ZINC000917067221 663286530 /nfs/dbraw/zinc/28/65/30/663286530.db2.gz ZROSDTUHSLFJQY-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO COC[C@@H](CS(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2)OC ZINC000917067221 663286531 /nfs/dbraw/zinc/28/65/31/663286531.db2.gz ZROSDTUHSLFJQY-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@@H+]2CCN1CCC2)N1CCOCC1 ZINC000917045474 663286582 /nfs/dbraw/zinc/28/65/82/663286582.db2.gz NTZIDNHSVBSOFA-LBPRGKRZSA-N 1 1 304.416 -1.457 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@H+]2CCN1CCC2)N1CCOCC1 ZINC000917045474 663286585 /nfs/dbraw/zinc/28/65/85/663286585.db2.gz NTZIDNHSVBSOFA-LBPRGKRZSA-N 1 1 304.416 -1.457 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCO ZINC000994491144 663287512 /nfs/dbraw/zinc/28/75/12/663287512.db2.gz XMUADLBVBMZGIA-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001007162374 663288062 /nfs/dbraw/zinc/28/80/62/663288062.db2.gz RMMQDQKJMHJJNE-QWRGUYRKSA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001007162374 663288063 /nfs/dbraw/zinc/28/80/63/663288063.db2.gz RMMQDQKJMHJJNE-QWRGUYRKSA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001031384389 663288978 /nfs/dbraw/zinc/28/89/78/663288978.db2.gz FFGQJYPJMTVRGT-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001031384390 663288996 /nfs/dbraw/zinc/28/89/96/663288996.db2.gz FFGQJYPJMTVRGT-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000925437896 663289634 /nfs/dbraw/zinc/28/96/34/663289634.db2.gz GVTSDGKVAOGSLG-NXEZZACHSA-N 1 1 303.388 -1.766 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031391227 663289703 /nfs/dbraw/zinc/28/97/03/663289703.db2.gz BEVDXSYBWAZEGS-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)OC ZINC001031403041 663290250 /nfs/dbraw/zinc/29/02/50/663290250.db2.gz VRUYTIFUWCAJPC-MNOVXSKESA-N 1 1 305.400 -1.097 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402640 663290093 /nfs/dbraw/zinc/29/00/93/663290093.db2.gz LZQXEHPAOWIBNW-KOLCDFICSA-N 1 1 303.384 -1.485 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CCn3cncn3)C2)C1 ZINC001031415514 663291514 /nfs/dbraw/zinc/29/15/14/663291514.db2.gz XCBODIQKUILGIN-ZDUSSCGKSA-N 1 1 308.386 -1.201 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CCn3cncn3)C2)C1 ZINC001031415514 663291518 /nfs/dbraw/zinc/29/15/18/663291518.db2.gz XCBODIQKUILGIN-ZDUSSCGKSA-N 1 1 308.386 -1.201 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)C1 ZINC001031418032 663291841 /nfs/dbraw/zinc/29/18/41/663291841.db2.gz GPMWLPZFCDLMFM-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCCNC3=O)C2)C1 ZINC001031418032 663291844 /nfs/dbraw/zinc/29/18/44/663291844.db2.gz GPMWLPZFCDLMFM-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)C1 ZINC001031414246 663292304 /nfs/dbraw/zinc/29/23/04/663292304.db2.gz HIADQIIGYHXRRU-WCQYABFASA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)C1 ZINC001031414246 663292308 /nfs/dbraw/zinc/29/23/08/663292308.db2.gz HIADQIIGYHXRRU-WCQYABFASA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418057 663292327 /nfs/dbraw/zinc/29/23/27/663292327.db2.gz HBTQDTKTWZSVBA-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418057 663292333 /nfs/dbraw/zinc/29/23/33/663292333.db2.gz HBTQDTKTWZSVBA-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)C1 ZINC001031414241 663292406 /nfs/dbraw/zinc/29/24/06/663292406.db2.gz HIADQIIGYHXRRU-AAEUAGOBSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H](C)C(=O)N(C)C)C2)C1 ZINC001031414241 663292411 /nfs/dbraw/zinc/29/24/11/663292411.db2.gz HIADQIIGYHXRRU-AAEUAGOBSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cnnn3C)C2)C1 ZINC001031419005 663292626 /nfs/dbraw/zinc/29/26/26/663292626.db2.gz QXYAPIJOOBKSEA-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cnnn3C)C2)C1 ZINC001031419005 663292632 /nfs/dbraw/zinc/29/26/32/663292632.db2.gz QXYAPIJOOBKSEA-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001031419365 663292724 /nfs/dbraw/zinc/29/27/24/663292724.db2.gz YOMGQYBDMUUSLU-LLVKDONJSA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001031419365 663292726 /nfs/dbraw/zinc/29/27/26/663292726.db2.gz YOMGQYBDMUUSLU-LLVKDONJSA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031420022 663293001 /nfs/dbraw/zinc/29/30/01/663293001.db2.gz JXEZONCARQLTGI-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031420022 663293004 /nfs/dbraw/zinc/29/30/04/663293004.db2.gz JXEZONCARQLTGI-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)C1 ZINC001031419416 663293276 /nfs/dbraw/zinc/29/32/76/663293276.db2.gz ZXECQYKIISZWRR-JQWIXIFHSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)C1 ZINC001031419416 663293279 /nfs/dbraw/zinc/29/32/79/663293279.db2.gz ZXECQYKIISZWRR-JQWIXIFHSA-N 1 1 323.401 -1.208 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](CC3CCOCC3)C2)nn1 ZINC001031438866 663293695 /nfs/dbraw/zinc/29/36/95/663293695.db2.gz YGMQRIHOLPFNNW-UHFFFAOYSA-N 1 1 322.369 -1.396 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[S@](C)=O)C[C@]2(C)C1 ZINC000930024349 663295366 /nfs/dbraw/zinc/29/53/66/663295366.db2.gz SONMCOZCJMTRAM-FBWDIHGXSA-N 1 1 301.412 -1.109 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001031537519 663297204 /nfs/dbraw/zinc/29/72/04/663297204.db2.gz UMKPPPAYSAXGDA-LBPRGKRZSA-N 1 1 318.333 -1.213 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)C1=COCCO1 ZINC001031530065 663297292 /nfs/dbraw/zinc/29/72/92/663297292.db2.gz QGXTTZMWLAYOME-UHFFFAOYSA-N 1 1 324.337 -1.526 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001031527608 663297929 /nfs/dbraw/zinc/29/79/29/663297929.db2.gz HCQPWBJMXNNOEE-JTQLQIEISA-N 1 1 309.322 -1.272 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001031539653 663298665 /nfs/dbraw/zinc/29/86/65/663298665.db2.gz OLJOLOYOXMIXLL-LLVKDONJSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cn[nH]c1 ZINC001031559046 663299424 /nfs/dbraw/zinc/29/94/24/663299424.db2.gz WAASPQUPUYUWOW-UHFFFAOYSA-N 1 1 306.326 -1.377 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001031579651 663300278 /nfs/dbraw/zinc/30/02/78/663300278.db2.gz JCCFNSPLACJKDV-NSHDSACASA-N 1 1 308.386 -1.249 20 0 DAADMO Cc1ncc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)[nH]1 ZINC001031584095 663300987 /nfs/dbraw/zinc/30/09/87/663300987.db2.gz QKWBLZJOVZFVFX-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO Cn1cnnc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595526 663301435 /nfs/dbraw/zinc/30/14/35/663301435.db2.gz YOLJGWYVLAFWFP-LBPRGKRZSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1cnnc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595526 663301439 /nfs/dbraw/zinc/30/14/39/663301439.db2.gz YOLJGWYVLAFWFP-LBPRGKRZSA-N 1 1 308.386 -1.306 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)CCO3)C2)C1=O ZINC001031595934 663301512 /nfs/dbraw/zinc/30/15/12/663301512.db2.gz CSUUJOQYIRRJLD-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001031596697 663301545 /nfs/dbraw/zinc/30/15/45/663301545.db2.gz NIURVKUVFCLRIH-DGCLKSJQSA-N 1 1 312.414 -1.158 20 0 DAADMO Cn1nnc(CN2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001031595275 663301784 /nfs/dbraw/zinc/30/17/84/663301784.db2.gz STVKMJHEQRHOJW-NSHDSACASA-N 1 1 309.374 -1.911 20 0 DAADMO Cn1nnc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001031595275 663301790 /nfs/dbraw/zinc/30/17/90/663301790.db2.gz STVKMJHEQRHOJW-NSHDSACASA-N 1 1 309.374 -1.911 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596708 663301859 /nfs/dbraw/zinc/30/18/59/663301859.db2.gz NQFWOGVNMAVFDG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596708 663301862 /nfs/dbraw/zinc/30/18/62/663301862.db2.gz NQFWOGVNMAVFDG-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595980 663301948 /nfs/dbraw/zinc/30/19/48/663301948.db2.gz DMZSPKFOAKPYMN-ZYHUDNBSSA-N 1 1 323.401 -1.350 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595980 663301951 /nfs/dbraw/zinc/30/19/51/663301951.db2.gz DMZSPKFOAKPYMN-ZYHUDNBSSA-N 1 1 323.401 -1.350 20 0 DAADMO Cn1nnc(CN2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001031595273 663302161 /nfs/dbraw/zinc/30/21/61/663302161.db2.gz STVKMJHEQRHOJW-LLVKDONJSA-N 1 1 309.374 -1.911 20 0 DAADMO Cn1nnc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001031595273 663302164 /nfs/dbraw/zinc/30/21/64/663302164.db2.gz STVKMJHEQRHOJW-LLVKDONJSA-N 1 1 309.374 -1.911 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031613847 663302551 /nfs/dbraw/zinc/30/25/51/663302551.db2.gz RXRBPMJPTDBKMD-GHMZBOCLSA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031612825 663302847 /nfs/dbraw/zinc/30/28/47/663302847.db2.gz DZHJZAZHGBPEGY-RYUDHWBXSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3cnn(C)c3N)C2)C1=O ZINC001031626313 663304112 /nfs/dbraw/zinc/30/41/12/663304112.db2.gz CHOJOMJBCHBYAF-NSHDSACASA-N 1 1 306.370 -1.105 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001031642936 663304487 /nfs/dbraw/zinc/30/44/87/663304487.db2.gz FXDQDGCXUGEIFS-JTQLQIEISA-N 1 1 324.337 -1.708 20 0 DAADMO Cc1n[nH]cc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535521 663305201 /nfs/dbraw/zinc/30/52/01/663305201.db2.gz MTPYEXSHPWMZAV-UHFFFAOYSA-N 1 1 301.372 -1.230 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001031651232 663305891 /nfs/dbraw/zinc/30/58/91/663305891.db2.gz NGOYDRLZRJOJHE-UHFFFAOYSA-N 1 1 321.341 -1.972 20 0 DAADMO COC[C@@H](CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1)OC ZINC000920528571 663306106 /nfs/dbraw/zinc/30/61/06/663306106.db2.gz ZNVKXNAYOSPLHN-NSHDSACASA-N 1 1 323.415 -1.659 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CC1 ZINC000920520789 663306240 /nfs/dbraw/zinc/30/62/40/663306240.db2.gz IKTYCCIFZZADIB-QJPTWQEYSA-N 1 1 317.411 -1.000 20 0 DAADMO COC[C@H](C)CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534029 663306394 /nfs/dbraw/zinc/30/63/94/663306394.db2.gz AUDDJBJHGICTDV-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)N2CCCOCC2)CC1 ZINC000920527404 663306437 /nfs/dbraw/zinc/30/64/37/663306437.db2.gz OMVRISIPPSKZBS-UHFFFAOYSA-N 1 1 320.415 -1.683 20 0 DAADMO CCOC(=O)CCS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534099 663306478 /nfs/dbraw/zinc/30/64/78/663306478.db2.gz DPVUMMYLESXDSZ-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO COCC(COC)S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920528538 663306493 /nfs/dbraw/zinc/30/64/93/663306493.db2.gz YVINJUKEWINVJD-UHFFFAOYSA-N 1 1 323.415 -1.659 20 0 DAADMO COC(=O)[C@H](C)CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920536019 663306567 /nfs/dbraw/zinc/30/65/67/663306567.db2.gz YJDCVRSMGXERGZ-SNVBAGLBSA-N 1 1 321.399 -1.511 20 0 DAADMO CCn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC000920535993 663306639 /nfs/dbraw/zinc/30/66/39/663306639.db2.gz XMAZGNCZNIHJPB-UHFFFAOYSA-N 1 1 315.399 -1.045 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000920535819 663306687 /nfs/dbraw/zinc/30/66/87/663306687.db2.gz SZBRDVRZKGSAMN-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CN(C)C(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689306 663307751 /nfs/dbraw/zinc/30/77/51/663307751.db2.gz SFOVGUWXNMPSTF-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000994705652 663308260 /nfs/dbraw/zinc/30/82/60/663308260.db2.gz XYQNWEPNCNQIMB-ZDUSSCGKSA-N 1 1 322.369 -1.372 20 0 DAADMO CC(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000994705652 663308263 /nfs/dbraw/zinc/30/82/63/663308263.db2.gz XYQNWEPNCNQIMB-ZDUSSCGKSA-N 1 1 322.369 -1.372 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C ZINC000921413268 663308951 /nfs/dbraw/zinc/30/89/51/663308951.db2.gz HZCRTVMCMUVMSN-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C ZINC000921413268 663308954 /nfs/dbraw/zinc/30/89/54/663308954.db2.gz HZCRTVMCMUVMSN-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015813165 663308974 /nfs/dbraw/zinc/30/89/74/663308974.db2.gz LPCCKSOWEVCPCJ-ZJUUUORDSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015813165 663308977 /nfs/dbraw/zinc/30/89/77/663308977.db2.gz LPCCKSOWEVCPCJ-ZJUUUORDSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015813164 663309287 /nfs/dbraw/zinc/30/92/87/663309287.db2.gz LPCCKSOWEVCPCJ-VHSXEESVSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015813164 663309291 /nfs/dbraw/zinc/30/92/91/663309291.db2.gz LPCCKSOWEVCPCJ-VHSXEESVSA-N 1 1 309.374 -1.139 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948070059 663310363 /nfs/dbraw/zinc/31/03/63/663310363.db2.gz MHWCDTWZDZULLV-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000994747764 663310832 /nfs/dbraw/zinc/31/08/32/663310832.db2.gz XVHZKFOTYHXGOY-WPRPVWTQSA-N 1 1 323.353 -2.137 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1=O ZINC001031711759 663311375 /nfs/dbraw/zinc/31/13/75/663311375.db2.gz KEHLNXRAWUFUGU-WDEREUQCSA-N 1 1 322.365 -1.682 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1=O ZINC001031711756 663311927 /nfs/dbraw/zinc/31/19/27/663311927.db2.gz KEHLNXRAWUFUGU-MNOVXSKESA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1CCNC1=O ZINC001038587010 663312468 /nfs/dbraw/zinc/31/24/68/663312468.db2.gz NDLZHIUACNELQO-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1CCNC1=O ZINC001038587010 663312471 /nfs/dbraw/zinc/31/24/71/663312471.db2.gz NDLZHIUACNELQO-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000233688087 663312487 /nfs/dbraw/zinc/31/24/87/663312487.db2.gz NKQCAKIMNAAYJF-MNOVXSKESA-N 1 1 321.399 -1.163 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1CCNC1=O ZINC001038587013 663312665 /nfs/dbraw/zinc/31/26/65/663312665.db2.gz NDLZHIUACNELQO-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1CCNC1=O ZINC001038587013 663312669 /nfs/dbraw/zinc/31/26/69/663312669.db2.gz NDLZHIUACNELQO-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000938316462 663313174 /nfs/dbraw/zinc/31/31/74/663313174.db2.gz DYCRLAVJVDASTA-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000938319707 663313388 /nfs/dbraw/zinc/31/33/88/663313388.db2.gz LFTCBXXTYBXFCB-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938374973 663314881 /nfs/dbraw/zinc/31/48/81/663314881.db2.gz RYAPJEDVAYLLAC-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938374973 663314886 /nfs/dbraw/zinc/31/48/86/663314886.db2.gz RYAPJEDVAYLLAC-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938376347 663315111 /nfs/dbraw/zinc/31/51/11/663315111.db2.gz NBRIUSSKQXGCDV-SRVKXCTJSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000938407918 663316423 /nfs/dbraw/zinc/31/64/23/663316423.db2.gz DDVKFLGFZVLANG-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000938406353 663316675 /nfs/dbraw/zinc/31/66/75/663316675.db2.gz VOINNDHIULWRTA-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000938411036 663317634 /nfs/dbraw/zinc/31/76/34/663317634.db2.gz QPBRFNVNIFNBJQ-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938464466 663318784 /nfs/dbraw/zinc/31/87/84/663318784.db2.gz WRUIRMNVCDFMGG-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000938460616 663320935 /nfs/dbraw/zinc/32/09/35/663320935.db2.gz HXMXWMVEYXCSCT-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000938460616 663320939 /nfs/dbraw/zinc/32/09/39/663320939.db2.gz HXMXWMVEYXCSCT-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000938460615 663321170 /nfs/dbraw/zinc/32/11/70/663321170.db2.gz HXMXWMVEYXCSCT-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000938460615 663321176 /nfs/dbraw/zinc/32/11/76/663321176.db2.gz HXMXWMVEYXCSCT-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)C1 ZINC000938503641 663321774 /nfs/dbraw/zinc/32/17/74/663321774.db2.gz BIWUKNUVRWXBAQ-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)C1 ZINC000938503641 663321777 /nfs/dbraw/zinc/32/17/77/663321777.db2.gz BIWUKNUVRWXBAQ-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)C1 ZINC000938503640 663322019 /nfs/dbraw/zinc/32/20/19/663322019.db2.gz BIWUKNUVRWXBAQ-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)c3cnon3)C2)C1 ZINC000938503640 663322022 /nfs/dbraw/zinc/32/20/22/663322022.db2.gz BIWUKNUVRWXBAQ-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000994845616 663323225 /nfs/dbraw/zinc/32/32/25/663323225.db2.gz RBAFVCPEFSERIV-YRGRVCCFSA-N 1 1 324.425 -1.016 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938540532 663323307 /nfs/dbraw/zinc/32/33/07/663323307.db2.gz YECBUMMNBHNAIV-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000938529568 663323330 /nfs/dbraw/zinc/32/33/30/663323330.db2.gz RALJPDFXSOGBME-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000938529568 663323334 /nfs/dbraw/zinc/32/33/34/663323334.db2.gz RALJPDFXSOGBME-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)O1 ZINC000994845922 663324668 /nfs/dbraw/zinc/32/46/68/663324668.db2.gz ULAIIUKJNLDSRI-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)O1 ZINC000994845922 663324672 /nfs/dbraw/zinc/32/46/72/663324672.db2.gz ULAIIUKJNLDSRI-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938572481 663326057 /nfs/dbraw/zinc/32/60/57/663326057.db2.gz KFVJAJLYVYGNFC-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)O1 ZINC000994846905 663326465 /nfs/dbraw/zinc/32/64/65/663326465.db2.gz IPCMGBINEDWVLK-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)O1 ZINC000994846905 663326471 /nfs/dbraw/zinc/32/64/71/663326471.db2.gz IPCMGBINEDWVLK-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000938575100 663327337 /nfs/dbraw/zinc/32/73/37/663327337.db2.gz UYKRSIJUVLTCNV-TUAOUCFPSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001031740438 663330233 /nfs/dbraw/zinc/33/02/33/663330233.db2.gz BKIUOVWMELDMHN-LLVKDONJSA-N 1 1 305.338 -1.670 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)O1 ZINC000994850016 663330428 /nfs/dbraw/zinc/33/04/28/663330428.db2.gz JOKWBGILSFXQNU-LPUQOGTASA-N 1 1 323.393 -1.075 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)O1 ZINC000994850016 663330433 /nfs/dbraw/zinc/33/04/33/663330433.db2.gz JOKWBGILSFXQNU-LPUQOGTASA-N 1 1 323.393 -1.075 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)O1 ZINC000994849423 663330702 /nfs/dbraw/zinc/33/07/02/663330702.db2.gz DXYKJWQVJXLELL-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)O1 ZINC000994849423 663330707 /nfs/dbraw/zinc/33/07/07/663330707.db2.gz DXYKJWQVJXLELL-DGCLKSJQSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)O1 ZINC000994851690 663331013 /nfs/dbraw/zinc/33/10/13/663331013.db2.gz WRABMVLSPLDDGV-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)O1 ZINC000994851690 663331019 /nfs/dbraw/zinc/33/10/19/663331019.db2.gz WRABMVLSPLDDGV-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619168 663331083 /nfs/dbraw/zinc/33/10/83/663331083.db2.gz VEDGFJGAKRKSSK-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619168 663331086 /nfs/dbraw/zinc/33/10/86/663331086.db2.gz VEDGFJGAKRKSSK-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619170 663331399 /nfs/dbraw/zinc/33/13/99/663331399.db2.gz VEDGFJGAKRKSSK-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619170 663331403 /nfs/dbraw/zinc/33/14/03/663331403.db2.gz VEDGFJGAKRKSSK-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)NC1=O ZINC001038588645 663331419 /nfs/dbraw/zinc/33/14/19/663331419.db2.gz VEDOWPNPSNHJIN-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)NC1=O ZINC001038588645 663331422 /nfs/dbraw/zinc/33/14/22/663331422.db2.gz VEDOWPNPSNHJIN-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000938827106 663334875 /nfs/dbraw/zinc/33/48/75/663334875.db2.gz PSRLOKGTNQZOJO-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000938838685 663334890 /nfs/dbraw/zinc/33/48/90/663334890.db2.gz KVFFGJJVABLSQC-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCNC1=O ZINC001031749236 663338067 /nfs/dbraw/zinc/33/80/67/663338067.db2.gz RRPQSEQDHFXJSV-WDEREUQCSA-N 1 1 322.365 -1.634 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031753057 663338261 /nfs/dbraw/zinc/33/82/61/663338261.db2.gz ZRNKDRGYYXYNLZ-VIFPVBQESA-N 1 1 321.337 -1.109 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001031750761 663338676 /nfs/dbraw/zinc/33/86/76/663338676.db2.gz HAEMCUDFNWSCIW-SNVBAGLBSA-N 1 1 319.321 -1.351 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754695 663339070 /nfs/dbraw/zinc/33/90/70/663339070.db2.gz LQCSSHHNDZGRJN-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001031757421 663339179 /nfs/dbraw/zinc/33/91/79/663339179.db2.gz QTSFNJLRSCFQSN-SNVBAGLBSA-N 1 1 319.321 -1.351 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)O1 ZINC001031765934 663340335 /nfs/dbraw/zinc/34/03/35/663340335.db2.gz VOCFVXQJTVUDHZ-KWCYVHTRSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)O1 ZINC001031765934 663340339 /nfs/dbraw/zinc/34/03/39/663340339.db2.gz VOCFVXQJTVUDHZ-KWCYVHTRSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(Cc3nnnn3C)C2)O1 ZINC001031765854 663340642 /nfs/dbraw/zinc/34/06/42/663340642.db2.gz RRMNKCMQPRKFKI-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(Cc3nnnn3C)C2)O1 ZINC001031765854 663340645 /nfs/dbraw/zinc/34/06/45/663340645.db2.gz RRMNKCMQPRKFKI-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082909 663342223 /nfs/dbraw/zinc/34/22/23/663342223.db2.gz WOXSDKZRABBSEZ-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082909 663342227 /nfs/dbraw/zinc/34/22/27/663342227.db2.gz WOXSDKZRABBSEZ-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO Cn1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001031777990 663342986 /nfs/dbraw/zinc/34/29/86/663342986.db2.gz GROWPUATJPORFA-GFCCVEGCSA-N 1 1 304.350 -1.065 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939134803 663343764 /nfs/dbraw/zinc/34/37/64/663343764.db2.gz HWAJVDVEUMZYHQ-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031802692 663345722 /nfs/dbraw/zinc/34/57/22/663345722.db2.gz PXNJSQIWBAKMCA-NWDGAFQWSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001031805168 663345906 /nfs/dbraw/zinc/34/59/06/663345906.db2.gz IIFCQMSJKDIQNQ-LLVKDONJSA-N 1 1 305.342 -1.276 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001031810224 663347817 /nfs/dbraw/zinc/34/78/17/663347817.db2.gz FDFGQEJBEZMMCS-GFCCVEGCSA-N 1 1 304.350 -1.065 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329993 663348988 /nfs/dbraw/zinc/34/89/88/663348988.db2.gz YGMZONNXZIBJNB-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329993 663348992 /nfs/dbraw/zinc/34/89/92/663348992.db2.gz YGMZONNXZIBJNB-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939333414 663350556 /nfs/dbraw/zinc/35/05/56/663350556.db2.gz AVQXXRAWDYILQD-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)c1cnon1 ZINC000939374054 663352970 /nfs/dbraw/zinc/35/29/70/663352970.db2.gz OCFFTQOTCVTOGT-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)c1cnon1 ZINC000939374054 663352973 /nfs/dbraw/zinc/35/29/73/663352973.db2.gz OCFFTQOTCVTOGT-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383457 663354445 /nfs/dbraw/zinc/35/44/45/663354445.db2.gz LXDPQCMSWZIGEU-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383457 663354449 /nfs/dbraw/zinc/35/44/49/663354449.db2.gz LXDPQCMSWZIGEU-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383458 663354649 /nfs/dbraw/zinc/35/46/49/663354649.db2.gz LXDPQCMSWZIGEU-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383458 663354651 /nfs/dbraw/zinc/35/46/51/663354651.db2.gz LXDPQCMSWZIGEU-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939499583 663356477 /nfs/dbraw/zinc/35/64/77/663356477.db2.gz PIPYORIRLMAINM-RKDXNWHRSA-N 1 1 305.346 -1.493 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3nccn3)C2)n1 ZINC000994962751 663357758 /nfs/dbraw/zinc/35/77/58/663357758.db2.gz JOJAORMNIGZZMU-GHMZBOCLSA-N 1 1 319.373 -1.124 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000994993418 663360941 /nfs/dbraw/zinc/36/09/41/663360941.db2.gz ZORFWFYDMMZBFN-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000994993414 663361274 /nfs/dbraw/zinc/36/12/74/663361274.db2.gz ZORFWFYDMMZBFN-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000994993417 663361439 /nfs/dbraw/zinc/36/14/39/663361439.db2.gz ZORFWFYDMMZBFN-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001031844224 663363007 /nfs/dbraw/zinc/36/30/07/663363007.db2.gz FBILWGIOUSSXKT-VIFPVBQESA-N 1 1 317.353 -1.080 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000939749005 663363932 /nfs/dbraw/zinc/36/39/32/663363932.db2.gz ATEPLVPVNQMNNE-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000939829046 663364788 /nfs/dbraw/zinc/36/47/88/663364788.db2.gz GULSEUDODSXOMU-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000939829046 663364790 /nfs/dbraw/zinc/36/47/90/663364790.db2.gz GULSEUDODSXOMU-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000939863709 663365300 /nfs/dbraw/zinc/36/53/00/663365300.db2.gz JUOAPDNNSAREEL-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000939863709 663365303 /nfs/dbraw/zinc/36/53/03/663365303.db2.gz JUOAPDNNSAREEL-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000939867034 663365335 /nfs/dbraw/zinc/36/53/35/663365335.db2.gz NKCYJDDJICGMKR-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000939867034 663365339 /nfs/dbraw/zinc/36/53/39/663365339.db2.gz NKCYJDDJICGMKR-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000939865978 663365416 /nfs/dbraw/zinc/36/54/16/663365416.db2.gz CPRSKDXLABSDDU-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000939865978 663365418 /nfs/dbraw/zinc/36/54/18/663365418.db2.gz CPRSKDXLABSDDU-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000939871092 663365466 /nfs/dbraw/zinc/36/54/66/663365466.db2.gz DTAIFQAMDJJKES-MWLCHTKSSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000939871092 663365468 /nfs/dbraw/zinc/36/54/68/663365468.db2.gz DTAIFQAMDJJKES-MWLCHTKSSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939863724 663365681 /nfs/dbraw/zinc/36/56/81/663365681.db2.gz KLRPXCDOPYXMIS-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939863724 663365684 /nfs/dbraw/zinc/36/56/84/663365684.db2.gz KLRPXCDOPYXMIS-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cncc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000995020584 663366049 /nfs/dbraw/zinc/36/60/49/663366049.db2.gz UQXUIWOEOGKUOI-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cncc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000995020584 663366054 /nfs/dbraw/zinc/36/60/54/663366054.db2.gz UQXUIWOEOGKUOI-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001031860236 663366135 /nfs/dbraw/zinc/36/61/35/663366135.db2.gz KRNWXLOWRVVGDP-LBPRGKRZSA-N 1 1 319.365 -1.327 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)ncc1=O ZINC001031861746 663366271 /nfs/dbraw/zinc/36/62/71/663366271.db2.gz AFGORMKYSSPXIX-LBPRGKRZSA-N 1 1 319.365 -1.280 20 0 DAADMO CCC[NH+]1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001031869292 663368061 /nfs/dbraw/zinc/36/80/61/663368061.db2.gz GQTHKPSYUOPQGF-JTQLQIEISA-N 1 1 303.384 -1.642 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1 ZINC000940086009 663368214 /nfs/dbraw/zinc/36/82/14/663368214.db2.gz UWOKBZBDWCHQMR-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(N)=O)C2)n1 ZINC000995075749 663373133 /nfs/dbraw/zinc/37/31/33/663373133.db2.gz YYGGGRNZRLBYTC-BDAKNGLRSA-N 1 1 310.358 -1.005 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c1=O ZINC001031895136 663374203 /nfs/dbraw/zinc/37/42/03/663374203.db2.gz OLMOBDRBCHKVJG-JTQLQIEISA-N 1 1 321.337 -1.964 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000940526048 663374280 /nfs/dbraw/zinc/37/42/80/663374280.db2.gz NOGATSWPOXNEOM-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001031893804 663374286 /nfs/dbraw/zinc/37/42/86/663374286.db2.gz JBKRZGQSYSWYIK-UHFFFAOYSA-N 1 1 320.353 -1.076 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c1=O ZINC001031895137 663374422 /nfs/dbraw/zinc/37/44/22/663374422.db2.gz OLMOBDRBCHKVJG-SNVBAGLBSA-N 1 1 321.337 -1.964 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000940525112 663374483 /nfs/dbraw/zinc/37/44/83/663374483.db2.gz CNMSGADMYSXRPQ-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000940509741 663374558 /nfs/dbraw/zinc/37/45/58/663374558.db2.gz LEFAPEBDLIOPOQ-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940559948 663375449 /nfs/dbraw/zinc/37/54/49/663375449.db2.gz JVGCSLYQDSJQNX-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940559947 663375572 /nfs/dbraw/zinc/37/55/72/663375572.db2.gz JVGCSLYQDSJQNX-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940560147 663375750 /nfs/dbraw/zinc/37/57/50/663375750.db2.gz LMVWVCDGBAXFPF-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001031896859 663375800 /nfs/dbraw/zinc/37/58/00/663375800.db2.gz KZSQVJSLFDNMDT-GFCCVEGCSA-N 1 1 308.382 -1.207 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000995085815 663375873 /nfs/dbraw/zinc/37/58/73/663375873.db2.gz RZZIKPWHRGKJAP-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031896922 663376185 /nfs/dbraw/zinc/37/61/85/663376185.db2.gz LUCQXDPZJOXQRG-SKDRFNHKSA-N 1 1 323.397 -1.275 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1)N1CCCC1 ZINC001031896860 663376229 /nfs/dbraw/zinc/37/62/29/663376229.db2.gz KZSQVJSLFDNMDT-LBPRGKRZSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031898271 663376314 /nfs/dbraw/zinc/37/63/14/663376314.db2.gz DUKOCYVKFLXMKI-JOYOIKCWSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940610827 663376544 /nfs/dbraw/zinc/37/65/44/663376544.db2.gz IUOAHGLGYDTLGZ-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940605763 663376610 /nfs/dbraw/zinc/37/66/10/663376610.db2.gz ZPQQCEUHEUKBJL-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940612607 663377198 /nfs/dbraw/zinc/37/71/98/663377198.db2.gz WPTNLNRATSEKRO-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000940596590 663377436 /nfs/dbraw/zinc/37/74/36/663377436.db2.gz QJCYARVPAZIDMX-GFCCVEGCSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC000940596590 663377439 /nfs/dbraw/zinc/37/74/39/663377439.db2.gz QJCYARVPAZIDMX-GFCCVEGCSA-N 1 1 322.369 -1.190 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031901307 663378157 /nfs/dbraw/zinc/37/81/57/663378157.db2.gz QQYDKGACMQKZPB-RYUDHWBXSA-N 1 1 323.397 -1.321 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940616596 663378261 /nfs/dbraw/zinc/37/82/61/663378261.db2.gz YRVAAPPIVUFFJM-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031900818 663378314 /nfs/dbraw/zinc/37/83/14/663378314.db2.gz DDSCEDFVPRDXNX-MWLCHTKSSA-N 1 1 311.386 -1.465 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031901305 663378390 /nfs/dbraw/zinc/37/83/90/663378390.db2.gz QQYDKGACMQKZPB-NEPJUHHUSA-N 1 1 323.397 -1.321 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCNC1=O ZINC001031902589 663378482 /nfs/dbraw/zinc/37/84/82/663378482.db2.gz OXFFKMBNZFEIPT-ZJUUUORDSA-N 1 1 308.338 -2.024 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)NC1=O ZINC001031902794 663378602 /nfs/dbraw/zinc/37/86/02/663378602.db2.gz QZYKBZJVUFQBFL-UWVGGRQHSA-N 1 1 323.353 -2.137 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)NC1=O ZINC001031902795 663378864 /nfs/dbraw/zinc/37/88/64/663378864.db2.gz QZYKBZJVUFQBFL-VHSXEESVSA-N 1 1 323.353 -2.137 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)NC1=O ZINC001031903069 663378866 /nfs/dbraw/zinc/37/88/66/663378866.db2.gz UAAYCMOQPZGDIK-NWDGAFQWSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666291 663379100 /nfs/dbraw/zinc/37/91/00/663379100.db2.gz LUMVRMSXVYYTLR-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666291 663379106 /nfs/dbraw/zinc/37/91/06/663379106.db2.gz LUMVRMSXVYYTLR-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031905942 663379913 /nfs/dbraw/zinc/37/99/13/663379913.db2.gz UBGRRIWQYSQGOW-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000940746657 663380055 /nfs/dbraw/zinc/38/00/55/663380055.db2.gz AZCZQGRXOUCYHI-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031905943 663380156 /nfs/dbraw/zinc/38/01/56/663380156.db2.gz UBGRRIWQYSQGOW-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940748500 663380177 /nfs/dbraw/zinc/38/01/77/663380177.db2.gz YOYLPBNQXBTRNM-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031913095 663380296 /nfs/dbraw/zinc/38/02/96/663380296.db2.gz SVFPLBIUJRZFLK-JQWIXIFHSA-N 1 1 310.398 -1.011 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1=O ZINC001031911878 663380324 /nfs/dbraw/zinc/38/03/24/663380324.db2.gz FPDLSVZQPNVXHG-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031913096 663380473 /nfs/dbraw/zinc/38/04/73/663380473.db2.gz SVFPLBIUJRZFLK-PWSUYJOCSA-N 1 1 310.398 -1.011 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1=O ZINC001031911876 663380532 /nfs/dbraw/zinc/38/05/32/663380532.db2.gz FPDLSVZQPNVXHG-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)C1=O ZINC001031912051 663380720 /nfs/dbraw/zinc/38/07/20/663380720.db2.gz HQCHRUFKQYSOIX-QWRGUYRKSA-N 1 1 322.365 -1.682 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943683 663382413 /nfs/dbraw/zinc/38/24/13/663382413.db2.gz MMSYSFXCZXUMDF-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943683 663382417 /nfs/dbraw/zinc/38/24/17/663382417.db2.gz MMSYSFXCZXUMDF-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964920 663382590 /nfs/dbraw/zinc/38/25/90/663382590.db2.gz DKAJEEXMLFWYME-UWVGGRQHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964920 663382593 /nfs/dbraw/zinc/38/25/93/663382593.db2.gz DKAJEEXMLFWYME-UWVGGRQHSA-N 1 1 321.385 -1.071 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000940999950 663382731 /nfs/dbraw/zinc/38/27/31/663382731.db2.gz NMHLLAZIWNCBOU-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031918734 663382775 /nfs/dbraw/zinc/38/27/75/663382775.db2.gz UBGRRIWQYSQGOW-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3C)C2)C1=O ZINC001031919516 663382857 /nfs/dbraw/zinc/38/28/57/663382857.db2.gz DEAAFRYETCOPAY-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940966369 663382921 /nfs/dbraw/zinc/38/29/21/663382921.db2.gz YIVQZLAPCSGOAO-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940966369 663382924 /nfs/dbraw/zinc/38/29/24/663382924.db2.gz YIVQZLAPCSGOAO-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1COCCO1 ZINC001038074280 663382982 /nfs/dbraw/zinc/38/29/82/663382982.db2.gz BTJLWUVVWOWJLG-NEPJUHHUSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1COCCO1 ZINC001038074280 663382984 /nfs/dbraw/zinc/38/29/84/663382984.db2.gz BTJLWUVVWOWJLG-NEPJUHHUSA-N 1 1 312.370 -1.383 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993859 663383101 /nfs/dbraw/zinc/38/31/01/663383101.db2.gz OXEGSFLYDBTEID-VHSXEESVSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993859 663383102 /nfs/dbraw/zinc/38/31/02/663383102.db2.gz OXEGSFLYDBTEID-VHSXEESVSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920167 663383452 /nfs/dbraw/zinc/38/34/52/663383452.db2.gz USEVSMDBTICLQD-ZDUSSCGKSA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000941096687 663383982 /nfs/dbraw/zinc/38/39/82/663383982.db2.gz BUGKXRFNWDWKGX-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000941065469 663383986 /nfs/dbraw/zinc/38/39/86/663383986.db2.gz ZKUXGVUBEZGQHS-UWVGGRQHSA-N 1 1 312.370 -1.207 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000941099282 663384410 /nfs/dbraw/zinc/38/44/10/663384410.db2.gz LKYWQZJNXUJLFJ-SNVBAGLBSA-N 1 1 312.370 -1.253 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000941226188 663385826 /nfs/dbraw/zinc/38/58/26/663385826.db2.gz LYWGWOPZOMXTSH-MNOVXSKESA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941267577 663386762 /nfs/dbraw/zinc/38/67/62/663386762.db2.gz JFPRLIOKWDVZTI-UHFFFAOYSA-N 1 1 308.386 -1.247 20 0 DAADMO NC(=O)C(=O)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000941290097 663387173 /nfs/dbraw/zinc/38/71/73/663387173.db2.gz CFNHWVGJPAYLQQ-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031942247 663388793 /nfs/dbraw/zinc/38/87/93/663388793.db2.gz LFPPZXKNUFIEFJ-JTQLQIEISA-N 1 1 323.353 -2.135 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)no1 ZINC000941352796 663390858 /nfs/dbraw/zinc/39/08/58/663390858.db2.gz IROIOJHFAKILCE-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941376123 663392191 /nfs/dbraw/zinc/39/21/91/663392191.db2.gz OXGVVBQNRWCLAJ-LBPRGKRZSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(CO[C@H]1CCOC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941403551 663392706 /nfs/dbraw/zinc/39/27/06/663392706.db2.gz BAHSGDSTDLJUTP-AWEZNQCLSA-N 1 1 313.398 -1.387 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC000941396164 663392731 /nfs/dbraw/zinc/39/27/31/663392731.db2.gz ZKYBECSIHKIVAV-UHFFFAOYSA-N 1 1 308.386 -1.097 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000941431388 663393717 /nfs/dbraw/zinc/39/37/17/663393717.db2.gz OSUIUBGGRKQYPT-OPRDCNLKSA-N 1 1 314.342 -2.856 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000941431388 663393719 /nfs/dbraw/zinc/39/37/19/663393719.db2.gz OSUIUBGGRKQYPT-OPRDCNLKSA-N 1 1 314.342 -2.856 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941428541 663393853 /nfs/dbraw/zinc/39/38/53/663393853.db2.gz SVANFTRZUZGZFM-GFCCVEGCSA-N 1 1 310.398 -1.715 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)C1 ZINC000941436896 663394517 /nfs/dbraw/zinc/39/45/17/663394517.db2.gz KNNAMLFWHGBGOD-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)O1 ZINC000941486090 663395809 /nfs/dbraw/zinc/39/58/09/663395809.db2.gz JQBCMSBDYCBJAJ-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)O1 ZINC000941486090 663395811 /nfs/dbraw/zinc/39/58/11/663395811.db2.gz JQBCMSBDYCBJAJ-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO COc1nccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n1 ZINC000941484142 663395891 /nfs/dbraw/zinc/39/58/91/663395891.db2.gz NQVGVRQPXFBXMD-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO COc1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nn1C ZINC000941479815 663395929 /nfs/dbraw/zinc/39/59/29/663395929.db2.gz WBQDEQWNIHRPKH-UHFFFAOYSA-N 1 1 323.397 -1.137 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000941509798 663396008 /nfs/dbraw/zinc/39/60/08/663396008.db2.gz XQNJVYMDKRNWNZ-UONOGXRCSA-N 1 1 324.425 -1.027 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC000941513540 663396943 /nfs/dbraw/zinc/39/69/43/663396943.db2.gz HXAWEVKQZOVWMQ-ZDUSSCGKSA-N 1 1 310.398 -1.403 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000995158535 663397436 /nfs/dbraw/zinc/39/74/36/663397436.db2.gz MCYTWVLZVBZMNW-UWVGGRQHSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000995158533 663397613 /nfs/dbraw/zinc/39/76/13/663397613.db2.gz MCYTWVLZVBZMNW-NXEZZACHSA-N 1 1 319.373 -1.055 20 0 DAADMO C[C@H]1CC[C@@H](C[NH+]2CC(N3CCN(C(=O)C(N)=O)CC3)C2)O1 ZINC000941543474 663397855 /nfs/dbraw/zinc/39/78/55/663397855.db2.gz MZZGKIJKCNNNEA-AAEUAGOBSA-N 1 1 310.398 -1.132 20 0 DAADMO O=C(N1CCN(C2C[NH+](CCO)C2)CC1)[C@@]1(F)CCOC1 ZINC000941533453 663398136 /nfs/dbraw/zinc/39/81/36/663398136.db2.gz CIWOUMYSGKLIPO-CQSZACIVSA-N 1 1 301.362 -1.064 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)[nH]1 ZINC000941570881 663399091 /nfs/dbraw/zinc/39/90/91/663399091.db2.gz GWZWAFHIURMEHQ-UHFFFAOYSA-N 1 1 321.381 -1.452 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941567596 663399134 /nfs/dbraw/zinc/39/91/34/663399134.db2.gz YBXLYIORDICVLP-ZDUSSCGKSA-N 1 1 323.441 -1.358 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941566344 663399387 /nfs/dbraw/zinc/39/93/87/663399387.db2.gz CIWBLUMUXAAGKA-GXTWGEPZSA-N 1 1 323.441 -1.502 20 0 DAADMO Cn1c(=O)cccc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941560059 663399516 /nfs/dbraw/zinc/39/95/16/663399516.db2.gz UVJLEFIFHDSVIM-UHFFFAOYSA-N 1 1 320.393 -1.180 20 0 DAADMO O=C([C@H]1CCCCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941563767 663399524 /nfs/dbraw/zinc/39/95/24/663399524.db2.gz MRBHMYPMYFGJFI-CQSZACIVSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[C@H]1CCC(=O)N1 ZINC000941580028 663400188 /nfs/dbraw/zinc/40/01/88/663400188.db2.gz MEPFEQSHWIXLJN-TZMCWYRMSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000941598939 663400197 /nfs/dbraw/zinc/40/01/97/663400197.db2.gz LPIARXIIKRCRKX-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941639452 663401238 /nfs/dbraw/zinc/40/12/38/663401238.db2.gz SNEXQSCLHAXCIL-CYBMUJFWSA-N 1 1 323.441 -1.358 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941678837 663401669 /nfs/dbraw/zinc/40/16/69/663401669.db2.gz IKIXUOAXHGYWLQ-OAHLLOKOSA-N 1 1 324.425 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000941673843 663401963 /nfs/dbraw/zinc/40/19/63/663401963.db2.gz DYCRLAVJVDASTA-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665263 663402230 /nfs/dbraw/zinc/40/22/30/663402230.db2.gz PHAHEMPIUQRHHO-CYBMUJFWSA-N 1 1 323.441 -1.488 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941666300 663402371 /nfs/dbraw/zinc/40/23/71/663402371.db2.gz UOTXWTSONKUPLC-GFCCVEGCSA-N 1 1 309.414 -1.748 20 0 DAADMO Cn1cc(CCC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nn1 ZINC000941687414 663403051 /nfs/dbraw/zinc/40/30/51/663403051.db2.gz SFZFSJMOHDRAMF-UHFFFAOYSA-N 1 1 322.413 -1.432 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941788120 663403795 /nfs/dbraw/zinc/40/37/95/663403795.db2.gz BYMPDORZVCWDPY-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941787955 663403952 /nfs/dbraw/zinc/40/39/52/663403952.db2.gz AIAZUYHFQBPWHF-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995175098 663404570 /nfs/dbraw/zinc/40/45/70/663404570.db2.gz ZWJURLWUDVKDKG-LBPRGKRZSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941794853 663404754 /nfs/dbraw/zinc/40/47/54/663404754.db2.gz ODYNZPQBCXIBLE-NWDGAFQWSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941791575 663404782 /nfs/dbraw/zinc/40/47/82/663404782.db2.gz UVSGSQMNFAQUDW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)O1 ZINC001031973534 663405480 /nfs/dbraw/zinc/40/54/80/663405480.db2.gz MBWCRTAQEVEPIB-GRYCIOLGSA-N 1 1 324.381 -1.654 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948378550 663406078 /nfs/dbraw/zinc/40/60/78/663406078.db2.gz XIUMBXNNTIGSNE-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941883594 663406124 /nfs/dbraw/zinc/40/61/24/663406124.db2.gz RYAPJEDVAYLLAC-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941883594 663406125 /nfs/dbraw/zinc/40/61/25/663406125.db2.gz RYAPJEDVAYLLAC-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000941870710 663406755 /nfs/dbraw/zinc/40/67/55/663406755.db2.gz RWJBLDRREUQQQI-YJVGMPMCSA-N 1 1 322.365 -1.948 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001031977821 663406785 /nfs/dbraw/zinc/40/67/85/663406785.db2.gz JDDLFNSHQTVSKL-CMPLNLGQSA-N 1 1 307.402 -1.044 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001031978869 663407550 /nfs/dbraw/zinc/40/75/50/663407550.db2.gz NHQLWVBQNWHYRG-ADEWGFFLSA-N 1 1 310.398 -1.107 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001031980429 663408007 /nfs/dbraw/zinc/40/80/07/663408007.db2.gz QRRGTLKGHPVNSZ-NEPJUHHUSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)CN1CN=NC1=O ZINC000941958254 663409079 /nfs/dbraw/zinc/40/90/79/663409079.db2.gz HMIZGMRBILVOBI-MNOVXSKESA-N 1 1 324.385 -1.102 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000942014021 663411192 /nfs/dbraw/zinc/41/11/92/663411192.db2.gz HMTSFNWHYGHFDG-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000942035416 663411574 /nfs/dbraw/zinc/41/15/74/663411574.db2.gz WOORSLMWIJFGGC-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057533 663411579 /nfs/dbraw/zinc/41/15/79/663411579.db2.gz NWOTXVQQPGOHRS-JQWIXIFHSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057533 663411581 /nfs/dbraw/zinc/41/15/81/663411581.db2.gz NWOTXVQQPGOHRS-JQWIXIFHSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC000995195951 663411599 /nfs/dbraw/zinc/41/15/99/663411599.db2.gz NEZGAPJXTYOCRG-QWRGUYRKSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942052987 663411734 /nfs/dbraw/zinc/41/17/34/663411734.db2.gz INFOTVUKCVXTHF-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000942035144 663412063 /nfs/dbraw/zinc/41/20/63/663412063.db2.gz DDVKFLGFZVLANG-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061178 663412356 /nfs/dbraw/zinc/41/23/56/663412356.db2.gz IOYVGCNHJFVCCJ-IUCAKERBSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061178 663412358 /nfs/dbraw/zinc/41/23/58/663412358.db2.gz IOYVGCNHJFVCCJ-IUCAKERBSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061707 663412478 /nfs/dbraw/zinc/41/24/78/663412478.db2.gz OBPPDYLPYWAOKJ-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061705 663412571 /nfs/dbraw/zinc/41/25/71/663412571.db2.gz OBPPDYLPYWAOKJ-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942058602 663412600 /nfs/dbraw/zinc/41/26/00/663412600.db2.gz ZACWDKIUVZKLKY-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000942061052 663412604 /nfs/dbraw/zinc/41/26/04/663412604.db2.gz IAAPSMADDQPSPG-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000942098810 663413099 /nfs/dbraw/zinc/41/30/99/663413099.db2.gz BBLBWCZBQORSIJ-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142906 663413535 /nfs/dbraw/zinc/41/35/35/663413535.db2.gz MBIVMTFWPMHWQY-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142906 663413536 /nfs/dbraw/zinc/41/35/36/663413536.db2.gz MBIVMTFWPMHWQY-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865006 663413826 /nfs/dbraw/zinc/41/38/26/663413826.db2.gz NSYCINBPUAWFAB-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865006 663413827 /nfs/dbraw/zinc/41/38/27/663413827.db2.gz NSYCINBPUAWFAB-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000942191816 663414973 /nfs/dbraw/zinc/41/49/73/663414973.db2.gz HXMXWMVEYXCSCT-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000942191816 663414977 /nfs/dbraw/zinc/41/49/77/663414977.db2.gz HXMXWMVEYXCSCT-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000942214350 663416060 /nfs/dbraw/zinc/41/60/60/663416060.db2.gz SPEFJZJDXQQUMT-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000942214350 663416063 /nfs/dbraw/zinc/41/60/63/663416063.db2.gz SPEFJZJDXQQUMT-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942201695 663416114 /nfs/dbraw/zinc/41/61/14/663416114.db2.gz ZXBQVQMZXMEMGF-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200743 663416158 /nfs/dbraw/zinc/41/61/58/663416158.db2.gz OGOOJBQJPJCPEG-ZJUUUORDSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200743 663416161 /nfs/dbraw/zinc/41/61/61/663416161.db2.gz OGOOJBQJPJCPEG-ZJUUUORDSA-N 1 1 310.358 -2.106 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1ccnnc1 ZINC001032004572 663417311 /nfs/dbraw/zinc/41/73/11/663417311.db2.gz KUSDTMYKOPGMHV-NSHDSACASA-N 1 1 303.322 -1.057 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCCNC1=O ZINC000942258549 663417357 /nfs/dbraw/zinc/41/73/57/663417357.db2.gz PUYRLJWWKVADON-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCCNC1=O ZINC000942258549 663417359 /nfs/dbraw/zinc/41/73/59/663417359.db2.gz PUYRLJWWKVADON-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000942281500 663417803 /nfs/dbraw/zinc/41/78/03/663417803.db2.gz RALJPDFXSOGBME-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000942281500 663417805 /nfs/dbraw/zinc/41/78/05/663417805.db2.gz RALJPDFXSOGBME-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)CC2 ZINC000942295349 663418658 /nfs/dbraw/zinc/41/86/58/663418658.db2.gz XEHUJXUHWDOLEI-GHMZBOCLSA-N 1 1 319.365 -1.044 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000942301806 663418889 /nfs/dbraw/zinc/41/88/89/663418889.db2.gz BANSWYPQJRYBIY-YJVGMPMCSA-N 1 1 322.365 -1.948 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000942307806 663420458 /nfs/dbraw/zinc/42/04/58/663420458.db2.gz KFCNEGCESTVREB-SNVBAGLBSA-N 1 1 319.365 -1.036 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942307954 663420515 /nfs/dbraw/zinc/42/05/15/663420515.db2.gz KNVXGWHHQROJLN-GHMZBOCLSA-N 1 1 322.369 -1.984 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000942308728 663421096 /nfs/dbraw/zinc/42/10/96/663421096.db2.gz ZIMKDWUPVLDXRR-ZJUUUORDSA-N 1 1 305.338 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942315440 663421489 /nfs/dbraw/zinc/42/14/89/663421489.db2.gz UJAYXQXQTKYLTG-MNOVXSKESA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942315441 663421580 /nfs/dbraw/zinc/42/15/80/663421580.db2.gz UJAYXQXQTKYLTG-QWRGUYRKSA-N 1 1 310.354 -1.232 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014169 663422594 /nfs/dbraw/zinc/42/25/94/663422594.db2.gz WWLTZMOCUQCEIH-IUCAKERBSA-N 1 1 311.342 -2.104 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032013928 663422825 /nfs/dbraw/zinc/42/28/25/663422825.db2.gz QAHUDHYKTTYBAQ-UWVGGRQHSA-N 1 1 323.353 -2.137 20 0 DAADMO Cc1nc[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000995239429 663422910 /nfs/dbraw/zinc/42/29/10/663422910.db2.gz NKQXKZJZCOGCFS-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000995239429 663422913 /nfs/dbraw/zinc/42/29/13/663422913.db2.gz NKQXKZJZCOGCFS-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014168 663422988 /nfs/dbraw/zinc/42/29/88/663422988.db2.gz WWLTZMOCUQCEIH-DTWKUNHWSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000942435017 663423347 /nfs/dbraw/zinc/42/33/47/663423347.db2.gz PSRLOKGTNQZOJO-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000942431170 663423354 /nfs/dbraw/zinc/42/33/54/663423354.db2.gz GHHQJAPXCIRMHK-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000942431167 663423425 /nfs/dbraw/zinc/42/34/25/663423425.db2.gz GHHQJAPXCIRMHK-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522615 663425528 /nfs/dbraw/zinc/42/55/28/663425528.db2.gz DXBZCALFHGWARO-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522615 663425530 /nfs/dbraw/zinc/42/55/30/663425530.db2.gz DXBZCALFHGWARO-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942561668 663426774 /nfs/dbraw/zinc/42/67/74/663426774.db2.gz AYBTXSLAMCVOON-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942595253 663427683 /nfs/dbraw/zinc/42/76/83/663427683.db2.gz WHJRLRSXKHRRFH-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942595143 663427737 /nfs/dbraw/zinc/42/77/37/663427737.db2.gz USCQAWBQAOWJHL-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000995277457 663429602 /nfs/dbraw/zinc/42/96/02/663429602.db2.gz ZUINIZKTAFMUCK-GXSJLCMTSA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000995277462 663429623 /nfs/dbraw/zinc/42/96/23/663429623.db2.gz ZUINIZKTAFMUCK-ONGXEEELSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)n1 ZINC001032051080 663430034 /nfs/dbraw/zinc/43/00/34/663430034.db2.gz RBHQAOROSUPRAP-UHFFFAOYSA-N 1 1 307.358 -1.498 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)n1 ZINC001032051173 663430103 /nfs/dbraw/zinc/43/01/03/663430103.db2.gz WAHFBJUYXFABJR-UHFFFAOYSA-N 1 1 321.341 -1.972 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052618 663430642 /nfs/dbraw/zinc/43/06/42/663430642.db2.gz SBRKVXUQJFRFAQ-QMMMGPOBSA-N 1 1 310.354 -1.778 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000995307448 663432165 /nfs/dbraw/zinc/43/21/65/663432165.db2.gz YMBUDKXQKCFWOF-VHSXEESVSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cccnn1 ZINC001032068058 663432650 /nfs/dbraw/zinc/43/26/50/663432650.db2.gz MBEHCUDOACJXGT-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157255 663433017 /nfs/dbraw/zinc/43/30/17/663433017.db2.gz XWFAKSKSJVJIGZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157255 663433024 /nfs/dbraw/zinc/43/30/24/663433024.db2.gz XWFAKSKSJVJIGZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075654 663433760 /nfs/dbraw/zinc/43/37/60/663433760.db2.gz QHFXAPLRNKIFPP-QMMMGPOBSA-N 1 1 307.354 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943547838 663436450 /nfs/dbraw/zinc/43/64/50/663436450.db2.gz JXLYXINKDDPRSD-KOLCDFICSA-N 1 1 324.381 -1.388 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000943601099 663436526 /nfs/dbraw/zinc/43/65/26/663436526.db2.gz KICYKHRUJVBVFQ-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674981 663436912 /nfs/dbraw/zinc/43/69/12/663436912.db2.gz LXHMIIXIULPBFP-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674981 663436914 /nfs/dbraw/zinc/43/69/14/663436914.db2.gz LXHMIIXIULPBFP-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC000943853950 663439077 /nfs/dbraw/zinc/43/90/77/663439077.db2.gz GJVIEDDHVRBRFX-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)nn1 ZINC000995415383 663441022 /nfs/dbraw/zinc/44/10/22/663441022.db2.gz OIAMPTMSJWBOTF-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000944030754 663442263 /nfs/dbraw/zinc/44/22/63/663442263.db2.gz AKXIYJPQCOFAAL-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032172812 663444186 /nfs/dbraw/zinc/44/41/86/663444186.db2.gz CJOWSISKKGYETB-NSHDSACASA-N 1 1 307.354 -1.294 20 0 DAADMO Cn1nc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001032172456 663444214 /nfs/dbraw/zinc/44/42/14/663444214.db2.gz BGINQQTXRQAMOD-LLVKDONJSA-N 1 1 305.338 -1.670 20 0 DAADMO Cn1nc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)ccc1=O ZINC001032173038 663444344 /nfs/dbraw/zinc/44/43/44/663444344.db2.gz KVGYETWXRMZHLE-LBPRGKRZSA-N 1 1 319.365 -1.280 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000995458669 663444677 /nfs/dbraw/zinc/44/46/77/663444677.db2.gz WMXAAASXVSIDTG-YPMHNXCESA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000995458669 663444683 /nfs/dbraw/zinc/44/46/83/663444683.db2.gz WMXAAASXVSIDTG-YPMHNXCESA-N 1 1 324.381 -1.735 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001032183836 663445005 /nfs/dbraw/zinc/44/50/05/663445005.db2.gz CAPJLCOKLUNWHD-JTQLQIEISA-N 1 1 321.337 -1.964 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000995458662 663445113 /nfs/dbraw/zinc/44/51/13/663445113.db2.gz WMXAAASXVSIDTG-DGCLKSJQSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000995458662 663445117 /nfs/dbraw/zinc/44/51/17/663445117.db2.gz WMXAAASXVSIDTG-DGCLKSJQSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000995458659 663445190 /nfs/dbraw/zinc/44/51/90/663445190.db2.gz WMXAAASXVSIDTG-AAEUAGOBSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000995458659 663445193 /nfs/dbraw/zinc/44/51/93/663445193.db2.gz WMXAAASXVSIDTG-AAEUAGOBSA-N 1 1 324.381 -1.735 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000944124679 663445636 /nfs/dbraw/zinc/44/56/36/663445636.db2.gz BJRWNEWPFHZOBF-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000944124679 663445643 /nfs/dbraw/zinc/44/56/43/663445643.db2.gz BJRWNEWPFHZOBF-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000944124680 663445777 /nfs/dbraw/zinc/44/57/77/663445777.db2.gz BJRWNEWPFHZOBF-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000944124680 663445780 /nfs/dbraw/zinc/44/57/80/663445780.db2.gz BJRWNEWPFHZOBF-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000944135463 663445989 /nfs/dbraw/zinc/44/59/89/663445989.db2.gz MHWACNLUYWKYRL-WDEREUQCSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000944135461 663446367 /nfs/dbraw/zinc/44/63/67/663446367.db2.gz MHWACNLUYWKYRL-QWRGUYRKSA-N 1 1 312.370 -1.301 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000944185146 663446532 /nfs/dbraw/zinc/44/65/32/663446532.db2.gz ZYEKDTNAHUVGSA-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194179 663448969 /nfs/dbraw/zinc/44/89/69/663448969.db2.gz MXQYSMMLSZUPNK-UWVGGRQHSA-N 1 1 318.399 -2.010 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000995477120 663449627 /nfs/dbraw/zinc/44/96/27/663449627.db2.gz OBKYEATVRZIURR-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2=O)C1 ZINC000995475639 663449891 /nfs/dbraw/zinc/44/98/91/663449891.db2.gz RFXZMZIKJJISRZ-DGCLKSJQSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2=O)C1 ZINC000995475639 663449893 /nfs/dbraw/zinc/44/98/93/663449893.db2.gz RFXZMZIKJJISRZ-DGCLKSJQSA-N 1 1 324.381 -1.735 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)C1 ZINC001032201503 663451607 /nfs/dbraw/zinc/45/16/07/663451607.db2.gz GIPBOMXTURANKP-GFCCVEGCSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)C1 ZINC001032201503 663451610 /nfs/dbraw/zinc/45/16/10/663451610.db2.gz GIPBOMXTURANKP-GFCCVEGCSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001032201697 663451630 /nfs/dbraw/zinc/45/16/30/663451630.db2.gz IPIQXFPJAOCIAZ-ZDUSSCGKSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001032201697 663451633 /nfs/dbraw/zinc/45/16/33/663451633.db2.gz IPIQXFPJAOCIAZ-ZDUSSCGKSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001032202187 663452010 /nfs/dbraw/zinc/45/20/10/663452010.db2.gz OXDYKUCVGQUQJR-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001032202187 663452012 /nfs/dbraw/zinc/45/20/12/663452012.db2.gz OXDYKUCVGQUQJR-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)C1 ZINC001032202195 663452221 /nfs/dbraw/zinc/45/22/21/663452221.db2.gz OXDYKUCVGQUQJR-QWHCGFSZSA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)C1 ZINC001032202195 663452224 /nfs/dbraw/zinc/45/22/24/663452224.db2.gz OXDYKUCVGQUQJR-QWHCGFSZSA-N 1 1 310.398 -1.356 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCO2)CC1(C)C ZINC000995499106 663454004 /nfs/dbraw/zinc/45/40/04/663454004.db2.gz GGVMVQWUPOIBRH-WDEREUQCSA-N 1 1 324.385 -1.048 20 0 DAADMO COCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000944527390 663456816 /nfs/dbraw/zinc/45/68/16/663456816.db2.gz XLBJURMTQLZMTM-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000944527390 663456817 /nfs/dbraw/zinc/45/68/17/663456817.db2.gz XLBJURMTQLZMTM-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525920 663457102 /nfs/dbraw/zinc/45/71/02/663457102.db2.gz KFKAZJUNBBBKHM-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525920 663457105 /nfs/dbraw/zinc/45/71/05/663457105.db2.gz KFKAZJUNBBBKHM-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524911 663457158 /nfs/dbraw/zinc/45/71/58/663457158.db2.gz ATRHFPSAWOZNQF-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524911 663457160 /nfs/dbraw/zinc/45/71/60/663457160.db2.gz ATRHFPSAWOZNQF-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)C1 ZINC000944598275 663459640 /nfs/dbraw/zinc/45/96/40/663459640.db2.gz AGVSZDLHRQZLQP-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)n(C)c1=O ZINC001032211329 663460358 /nfs/dbraw/zinc/46/03/58/663460358.db2.gz KWBKUTWCXQZQNS-LLVKDONJSA-N 1 1 321.381 -1.336 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC1(C)C ZINC000995552262 663461995 /nfs/dbraw/zinc/46/19/95/663461995.db2.gz QAWGPFUMVCIHSK-ZJUUUORDSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000944659753 663462512 /nfs/dbraw/zinc/46/25/12/663462512.db2.gz UILZSKAJTCGDQX-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000944702282 663463605 /nfs/dbraw/zinc/46/36/05/663463605.db2.gz XXXOOOKVVFQWPL-ABAIWWIYSA-N 1 1 324.381 -1.699 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000995646770 663467952 /nfs/dbraw/zinc/46/79/52/663467952.db2.gz CJFDZPKXWQQYFZ-LLVKDONJSA-N 1 1 322.365 -1.540 20 0 DAADMO Cc1nonc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001032225367 663469089 /nfs/dbraw/zinc/46/90/89/663469089.db2.gz DRYBGMYBRUECLA-UHFFFAOYSA-N 1 1 322.325 -1.409 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H]2CCc3ncnn32)n1 ZINC001038602532 663469385 /nfs/dbraw/zinc/46/93/85/663469385.db2.gz ZWYHPKQMUWKITH-ZJUUUORDSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)n1 ZINC001038602532 663469386 /nfs/dbraw/zinc/46/93/86/663469386.db2.gz ZWYHPKQMUWKITH-ZJUUUORDSA-N 1 1 317.357 -1.207 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895643 663469425 /nfs/dbraw/zinc/46/94/25/663469425.db2.gz NLTUPLPMPUPLFP-SECBINFHSA-N 1 1 323.353 -1.325 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895643 663469426 /nfs/dbraw/zinc/46/94/26/663469426.db2.gz NLTUPLPMPUPLFP-SECBINFHSA-N 1 1 323.353 -1.325 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945028960 663469666 /nfs/dbraw/zinc/46/96/66/663469666.db2.gz BGDAIEDJQAEMHJ-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)CC3)C1 ZINC000945028960 663469668 /nfs/dbraw/zinc/46/96/68/663469668.db2.gz BGDAIEDJQAEMHJ-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032227248 663469744 /nfs/dbraw/zinc/46/97/44/663469744.db2.gz NWOMNVBHZRFNEN-NWDGAFQWSA-N 1 1 323.397 -1.192 20 0 DAADMO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001032236242 663471464 /nfs/dbraw/zinc/47/14/64/663471464.db2.gz NZCVSDXLXJOBKV-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001032236242 663471466 /nfs/dbraw/zinc/47/14/66/663471466.db2.gz NZCVSDXLXJOBKV-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nnc[nH]1 ZINC000945079202 663471561 /nfs/dbraw/zinc/47/15/61/663471561.db2.gz ZOZJNSBRDRIGFN-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945079202 663471563 /nfs/dbraw/zinc/47/15/63/663471563.db2.gz ZOZJNSBRDRIGFN-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945079202 663471565 /nfs/dbraw/zinc/47/15/65/663471565.db2.gz ZOZJNSBRDRIGFN-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945079202 663471568 /nfs/dbraw/zinc/47/15/68/663471568.db2.gz ZOZJNSBRDRIGFN-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945079202 663471569 /nfs/dbraw/zinc/47/15/69/663471569.db2.gz ZOZJNSBRDRIGFN-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)Cn2ncnn2)CC1 ZINC000945400182 663474276 /nfs/dbraw/zinc/47/42/76/663474276.db2.gz YIEFSBXYXNUCGA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)C1 ZINC000995699903 663474982 /nfs/dbraw/zinc/47/49/82/663474982.db2.gz HXUIZVNYDUUHNO-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)C1 ZINC000995699903 663474984 /nfs/dbraw/zinc/47/49/84/663474984.db2.gz HXUIZVNYDUUHNO-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(C1=COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032262845 663475436 /nfs/dbraw/zinc/47/54/36/663475436.db2.gz ISXRDTZMBUXAKX-DCAQKATOSA-N 1 1 321.333 -1.035 20 0 DAADMO O=C(C1=COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032262845 663475438 /nfs/dbraw/zinc/47/54/38/663475438.db2.gz ISXRDTZMBUXAKX-DCAQKATOSA-N 1 1 321.333 -1.035 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032269236 663477222 /nfs/dbraw/zinc/47/72/22/663477222.db2.gz JGBSJOFVWRMNPS-GARJFASQSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032283154 663479825 /nfs/dbraw/zinc/47/98/25/663479825.db2.gz PWUUZJAEMQFWJK-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032283154 663479827 /nfs/dbraw/zinc/47/98/27/663479827.db2.gz PWUUZJAEMQFWJK-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000995777791 663482000 /nfs/dbraw/zinc/48/20/00/663482000.db2.gz VUMZAKAPBBRWFI-SECBINFHSA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC1(C)C ZINC000995748512 663482014 /nfs/dbraw/zinc/48/20/14/663482014.db2.gz VVAKDENQZHEQDH-RKDXNWHRSA-N 1 1 323.357 -1.355 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995795093 663482032 /nfs/dbraw/zinc/48/20/32/663482032.db2.gz HSIMXFLDRYHIDJ-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995793035 663482274 /nfs/dbraw/zinc/48/22/74/663482274.db2.gz ASFCUDKHJLHNDP-VIFPVBQESA-N 1 1 320.361 -1.777 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)CC2(C)C)n1 ZINC000995799127 663482337 /nfs/dbraw/zinc/48/23/37/663482337.db2.gz VQOJHULQWJMPDW-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)CC2(C)C)nn1 ZINC000995798659 663482482 /nfs/dbraw/zinc/48/24/82/663482482.db2.gz TYOBEFJDEJIXIZ-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000996066678 663482751 /nfs/dbraw/zinc/48/27/51/663482751.db2.gz RTZHMXDRYCSTCQ-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000996055532 663482935 /nfs/dbraw/zinc/48/29/35/663482935.db2.gz JQTLAMQAMIBPRN-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000996065411 663482951 /nfs/dbraw/zinc/48/29/51/663482951.db2.gz BBRCVRXTZRBUFK-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2COCCO2)C1 ZINC000996067706 663483026 /nfs/dbraw/zinc/48/30/26/663483026.db2.gz WUVHFOOYUXBDTC-GFCCVEGCSA-N 1 1 308.338 -1.066 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000996056917 663483058 /nfs/dbraw/zinc/48/30/58/663483058.db2.gz QUYVQHONAQTEAI-SNVBAGLBSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000996056960 663483064 /nfs/dbraw/zinc/48/30/64/663483064.db2.gz SAGSIFUXXOUYAZ-MNOVXSKESA-N 1 1 305.338 -1.360 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995990166 663483110 /nfs/dbraw/zinc/48/31/10/663483110.db2.gz SJECTAXJLUYFNR-VIFPVBQESA-N 1 1 305.346 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2COCCN2C)C1 ZINC000996071001 663483398 /nfs/dbraw/zinc/48/33/98/663483398.db2.gz VGKUKDYQPHEQNT-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000996114697 663483460 /nfs/dbraw/zinc/48/34/60/663483460.db2.gz GLKSSRCSIKRVAX-UHFFFAOYSA-N 1 1 305.338 -1.426 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000996071646 663483545 /nfs/dbraw/zinc/48/35/45/663483545.db2.gz XZTDIIQCJQLYPS-SNVBAGLBSA-N 1 1 307.310 -1.373 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996211855 663483886 /nfs/dbraw/zinc/48/38/86/663483886.db2.gz JIWLKFWMGOEBAI-RKDXNWHRSA-N 1 1 322.373 -1.782 20 0 DAADMO CC1(C)CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000996221015 663484038 /nfs/dbraw/zinc/48/40/38/663484038.db2.gz RVVKXLIDBWXMSW-SECBINFHSA-N 1 1 322.369 -1.380 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC2(C)C)nn1 ZINC000996215304 663484159 /nfs/dbraw/zinc/48/41/59/663484159.db2.gz UDKKZUYGUZTCMP-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996216901 663484165 /nfs/dbraw/zinc/48/41/65/663484165.db2.gz XTZHBRLXDIUZNB-VHSXEESVSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C ZINC000996243461 663484635 /nfs/dbraw/zinc/48/46/35/663484635.db2.gz XMNHBRLUDMEOOI-VIFPVBQESA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996258044 663484908 /nfs/dbraw/zinc/48/49/08/663484908.db2.gz NQVSKKVIUWLOSA-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996258044 663484910 /nfs/dbraw/zinc/48/49/10/663484910.db2.gz NQVSKKVIUWLOSA-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996285751 663485219 /nfs/dbraw/zinc/48/52/19/663485219.db2.gz XZLJQHXPCIAWSX-ZUZCIYMTSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1nnc(CC(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)[nH]1 ZINC000996403491 663486070 /nfs/dbraw/zinc/48/60/70/663486070.db2.gz FJJKIQUFYKUAEU-UHFFFAOYSA-N 1 1 319.373 -1.040 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000996442944 663486704 /nfs/dbraw/zinc/48/67/04/663486704.db2.gz QIGZMEPTYUPAET-WCQGTBRESA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000996442943 663486724 /nfs/dbraw/zinc/48/67/24/663486724.db2.gz QIGZMEPTYUPAET-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000996432883 663486894 /nfs/dbraw/zinc/48/68/94/663486894.db2.gz FVXITNYDAFDWAH-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000996433618 663486915 /nfs/dbraw/zinc/48/69/15/663486915.db2.gz BVMJUJZLKTXMPR-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000996445393 663486937 /nfs/dbraw/zinc/48/69/37/663486937.db2.gz YDLVOMHGURPNNV-VIFPVBQESA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000996434444 663487011 /nfs/dbraw/zinc/48/70/11/663487011.db2.gz FGFGNYJZYJPXMR-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000996443524 663487019 /nfs/dbraw/zinc/48/70/19/663487019.db2.gz SQWCAXVXMHCNGA-ONGXEEELSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000996443520 663487025 /nfs/dbraw/zinc/48/70/25/663487025.db2.gz SQWCAXVXMHCNGA-KOLCDFICSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000996442970 663487069 /nfs/dbraw/zinc/48/70/69/663487069.db2.gz QVTQNVHWBGGXLN-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO CN1C[C@H](C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)CC1=O ZINC000996651601 663489600 /nfs/dbraw/zinc/48/96/00/663489600.db2.gz BREVUAQFVXNPDJ-SNVBAGLBSA-N 1 1 321.385 -1.231 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001032316228 663490095 /nfs/dbraw/zinc/49/00/95/663490095.db2.gz LZBHFLGYBHULFE-YFKTTZPYSA-N 1 1 306.366 -1.219 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001032316228 663490097 /nfs/dbraw/zinc/49/00/97/663490097.db2.gz LZBHFLGYBHULFE-YFKTTZPYSA-N 1 1 306.366 -1.219 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCNC3=O)CC2)n1 ZINC000996699888 663490143 /nfs/dbraw/zinc/49/01/43/663490143.db2.gz ZZTQCZKBBQBGNL-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032316202 663490403 /nfs/dbraw/zinc/49/04/03/663490403.db2.gz KQFMQVVOMKWLOK-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032316202 663490405 /nfs/dbraw/zinc/49/04/05/663490405.db2.gz KQFMQVVOMKWLOK-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032316741 663491001 /nfs/dbraw/zinc/49/10/01/663491001.db2.gz DYLISUWRZBNBLL-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032316741 663491002 /nfs/dbraw/zinc/49/10/02/663491002.db2.gz DYLISUWRZBNBLL-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001032326270 663492404 /nfs/dbraw/zinc/49/24/04/663492404.db2.gz VMIRFBNMVHPIEV-UWVGGRQHSA-N 1 1 308.338 -1.704 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001032326270 663492409 /nfs/dbraw/zinc/49/24/09/663492409.db2.gz VMIRFBNMVHPIEV-UWVGGRQHSA-N 1 1 308.338 -1.704 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC000996787121 663493114 /nfs/dbraw/zinc/49/31/14/663493114.db2.gz BZXXDJQFJAQUMW-PNESKVBLSA-N 1 1 312.414 -1.103 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(=O)n(C)c1=O ZINC000735041113 663494506 /nfs/dbraw/zinc/49/45/06/663494506.db2.gz ILTVWMANWGMNDX-UHFFFAOYSA-N 1 1 324.381 -1.075 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(=O)n(C)c1=O ZINC000735041113 663494508 /nfs/dbraw/zinc/49/45/08/663494508.db2.gz ILTVWMANWGMNDX-UHFFFAOYSA-N 1 1 324.381 -1.075 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)n1 ZINC000996882109 663496946 /nfs/dbraw/zinc/49/69/46/663496946.db2.gz GKKOURZBBKYWPZ-SNVBAGLBSA-N 1 1 322.373 -1.686 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)n1 ZINC000996927250 663499017 /nfs/dbraw/zinc/49/90/17/663499017.db2.gz WGZPDDBRUQIYHQ-UHFFFAOYSA-N 1 1 318.341 -1.312 20 0 DAADMO COCCc1nc(C[NH2+]C2CCN(C(=O)C(N)=O)CC2)no1 ZINC000996951525 663499460 /nfs/dbraw/zinc/49/94/60/663499460.db2.gz JIOUTNRFZHMPJQ-UHFFFAOYSA-N 1 1 311.342 -1.176 20 0 DAADMO NS(=O)(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000735883290 663499601 /nfs/dbraw/zinc/49/96/01/663499601.db2.gz GGOUOYNRBFUGCJ-LLVKDONJSA-N 1 1 305.400 -1.154 20 0 DAADMO NS(=O)(=O)CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000735883292 663499860 /nfs/dbraw/zinc/49/98/60/663499860.db2.gz GGOUOYNRBFUGCJ-NSHDSACASA-N 1 1 305.400 -1.154 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C3(C(N)=O)CC3)CC2)n1 ZINC000996949008 663499974 /nfs/dbraw/zinc/49/99/74/663499974.db2.gz JJEZXEQFRZEHHV-UHFFFAOYSA-N 1 1 307.358 -1.444 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCOCC2)C1=O ZINC001032364199 663500102 /nfs/dbraw/zinc/50/01/02/663500102.db2.gz DSFXLOJBCBLDLL-IHRRRGAJSA-N 1 1 322.409 -1.166 20 0 DAADMO Cn1cc(C(=O)OCCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000735894063 663500460 /nfs/dbraw/zinc/50/04/60/663500460.db2.gz MKTJUULCQXBQKM-UHFFFAOYSA-N 1 1 311.338 -1.037 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032364286 663500462 /nfs/dbraw/zinc/50/04/62/663500462.db2.gz MSMKHEHYQHNMOO-KBPBESRZSA-N 1 1 320.397 -1.105 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032364286 663500463 /nfs/dbraw/zinc/50/04/63/663500463.db2.gz MSMKHEHYQHNMOO-KBPBESRZSA-N 1 1 320.397 -1.105 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)c1N ZINC001032367005 663500470 /nfs/dbraw/zinc/50/04/70/663500470.db2.gz FODJSNCJTRSHRM-ATZCPNFKSA-N 1 1 304.354 -1.211 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)c1N ZINC001032367005 663500471 /nfs/dbraw/zinc/50/04/71/663500471.db2.gz FODJSNCJTRSHRM-ATZCPNFKSA-N 1 1 304.354 -1.211 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997054109 663501970 /nfs/dbraw/zinc/50/19/70/663501970.db2.gz OTPPJFTXTRAZAP-QMJNDHNRSA-N 1 1 322.365 -1.948 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000997087148 663502254 /nfs/dbraw/zinc/50/22/54/663502254.db2.gz WPQKEZHKRGTMCN-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000997087148 663502257 /nfs/dbraw/zinc/50/22/57/663502257.db2.gz WPQKEZHKRGTMCN-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)n1 ZINC000997089205 663502293 /nfs/dbraw/zinc/50/22/93/663502293.db2.gz GUPALRWTYRTOLO-LLVKDONJSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)cc1=O ZINC001032375984 663502647 /nfs/dbraw/zinc/50/26/47/663502647.db2.gz DMYHXDGYYMPSFQ-GUBZILKMSA-N 1 1 306.322 -1.235 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)cc1=O ZINC001032375984 663502648 /nfs/dbraw/zinc/50/26/48/663502648.db2.gz DMYHXDGYYMPSFQ-GUBZILKMSA-N 1 1 306.322 -1.235 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(C)C2=O)C1 ZINC001032375835 663503010 /nfs/dbraw/zinc/50/30/10/663503010.db2.gz ZUUMRTFLSWLWRV-MELADBBJSA-N 1 1 320.393 -1.020 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(C)C2=O)C1 ZINC001032375835 663503011 /nfs/dbraw/zinc/50/30/11/663503011.db2.gz ZUUMRTFLSWLWRV-MELADBBJSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)CC[N@H+]1C ZINC000997119186 663504377 /nfs/dbraw/zinc/50/43/77/663504377.db2.gz LJMWNPCRVGUTMP-JLLWLGSASA-N 1 1 308.382 -1.068 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925341944 663504472 /nfs/dbraw/zinc/50/44/72/663504472.db2.gz QTDJEOXYAIBHDM-GHMZBOCLSA-N 1 1 319.431 -1.130 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032389957 663504520 /nfs/dbraw/zinc/50/45/20/663504520.db2.gz XDDAEMMGNJCYDA-GUBZILKMSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032389957 663504521 /nfs/dbraw/zinc/50/45/21/663504521.db2.gz XDDAEMMGNJCYDA-GUBZILKMSA-N 1 1 318.337 -1.481 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001032397918 663504872 /nfs/dbraw/zinc/50/48/72/663504872.db2.gz UIMMMYRLEDYCCU-DCAQKATOSA-N 1 1 304.354 -1.171 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001032397918 663504874 /nfs/dbraw/zinc/50/48/74/663504874.db2.gz UIMMMYRLEDYCCU-DCAQKATOSA-N 1 1 304.354 -1.171 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)cn1 ZINC001032406135 663505413 /nfs/dbraw/zinc/50/54/13/663505413.db2.gz JZRFOCPWECWYQB-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)cn1 ZINC001032406135 663505414 /nfs/dbraw/zinc/50/54/14/663505414.db2.gz JZRFOCPWECWYQB-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)Cn3cncn3)CC2)n1 ZINC000997261110 663508777 /nfs/dbraw/zinc/50/87/77/663508777.db2.gz YGQUGWUILLQHCV-UHFFFAOYSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988549 663509623 /nfs/dbraw/zinc/50/96/23/663509623.db2.gz ZOPNCQFBDNWDCP-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988549 663509624 /nfs/dbraw/zinc/50/96/24/663509624.db2.gz ZOPNCQFBDNWDCP-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000997348380 663510053 /nfs/dbraw/zinc/51/00/53/663510053.db2.gz XPIVPQAYSXTJGZ-LDYMZIIASA-N 1 1 322.369 -1.227 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000997348380 663510054 /nfs/dbraw/zinc/51/00/54/663510054.db2.gz XPIVPQAYSXTJGZ-LDYMZIIASA-N 1 1 322.369 -1.227 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001032433086 663510428 /nfs/dbraw/zinc/51/04/28/663510428.db2.gz JCYZCEVUYLLFMA-SRVKXCTJSA-N 1 1 322.365 -1.787 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c1=O ZINC001032433297 663510966 /nfs/dbraw/zinc/51/09/66/663510966.db2.gz NFMYKNWTPHBNOH-RYUDHWBXSA-N 1 1 322.365 -1.786 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001032452122 663511093 /nfs/dbraw/zinc/51/10/93/663511093.db2.gz JSCWIVMTZHFIOW-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032466786 663511789 /nfs/dbraw/zinc/51/17/89/663511789.db2.gz YYUPWZULDBKDIF-ATZCPNFKSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032466786 663511792 /nfs/dbraw/zinc/51/17/92/663511792.db2.gz YYUPWZULDBKDIF-ATZCPNFKSA-N 1 1 303.322 -1.031 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015993010 663512843 /nfs/dbraw/zinc/51/28/43/663512843.db2.gz TYNWBKYOWLDJPH-VIFPVBQESA-N 1 1 306.326 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997411119 663514891 /nfs/dbraw/zinc/51/48/91/663514891.db2.gz PLCUGILLFVDECQ-MNOVXSKESA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997411119 663514895 /nfs/dbraw/zinc/51/48/95/663514895.db2.gz PLCUGILLFVDECQ-MNOVXSKESA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997413951 663515478 /nfs/dbraw/zinc/51/54/78/663515478.db2.gz AKGSPYGQKQEYEJ-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000997449643 663519078 /nfs/dbraw/zinc/51/90/78/663519078.db2.gz XUCSWKYPCQKBQF-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000997451327 663519141 /nfs/dbraw/zinc/51/91/41/663519141.db2.gz NKAKEFHGKQZUTR-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000997449641 663519278 /nfs/dbraw/zinc/51/92/78/663519278.db2.gz XUCSWKYPCQKBQF-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486308 663519509 /nfs/dbraw/zinc/51/95/09/663519509.db2.gz NQMKFJMUDDTWPB-SRVKXCTJSA-N 1 1 309.370 -1.098 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000947925221 663519721 /nfs/dbraw/zinc/51/97/21/663519721.db2.gz LVZXYRPTCOEWTG-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)c1=O ZINC001032486112 663520166 /nfs/dbraw/zinc/52/01/66/663520166.db2.gz KGLJMSSGKIMNOS-DCAQKATOSA-N 1 1 320.353 -2.245 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)c1=O ZINC001032486112 663520170 /nfs/dbraw/zinc/52/01/70/663520170.db2.gz KGLJMSSGKIMNOS-DCAQKATOSA-N 1 1 320.353 -2.245 20 0 DAADMO O=C(CN1CCCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032497414 663521512 /nfs/dbraw/zinc/52/15/12/663521512.db2.gz JKUNWDNTNFRBLB-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(CN1CCCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032497414 663521513 /nfs/dbraw/zinc/52/15/13/663521513.db2.gz JKUNWDNTNFRBLB-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529818 663522269 /nfs/dbraw/zinc/52/22/69/663522269.db2.gz YIQKKPJXKZGOOL-BTWPUCDJSA-N 1 1 320.393 -1.380 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032539254 663523115 /nfs/dbraw/zinc/52/31/15/663523115.db2.gz NOPKXHMQNPPRAD-RYUDHWBXSA-N 1 1 315.337 -1.052 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032539254 663523117 /nfs/dbraw/zinc/52/31/17/663523117.db2.gz NOPKXHMQNPPRAD-RYUDHWBXSA-N 1 1 315.337 -1.052 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3cnnn3C)CC2)n1 ZINC000997739833 663524454 /nfs/dbraw/zinc/52/44/54/663524454.db2.gz MFCBDHBFAFEBNL-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001016048260 663525384 /nfs/dbraw/zinc/52/53/84/663525384.db2.gz XDQZPEGOOUDESV-QWRGUYRKSA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001016048260 663525385 /nfs/dbraw/zinc/52/53/85/663525385.db2.gz XDQZPEGOOUDESV-QWRGUYRKSA-N 1 1 307.354 -1.384 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056150 663525845 /nfs/dbraw/zinc/52/58/45/663525845.db2.gz FXPAMDDBVVRTNN-NWDGAFQWSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056150 663525848 /nfs/dbraw/zinc/52/58/48/663525848.db2.gz FXPAMDDBVVRTNN-NWDGAFQWSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056157 663525919 /nfs/dbraw/zinc/52/59/19/663525919.db2.gz FXPAMDDBVVRTNN-RYUDHWBXSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056157 663525922 /nfs/dbraw/zinc/52/59/22/663525922.db2.gz FXPAMDDBVVRTNN-RYUDHWBXSA-N 1 1 321.381 -1.123 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)Cn3nccn3)CC2)n1 ZINC000997810617 663526851 /nfs/dbraw/zinc/52/68/51/663526851.db2.gz HISPSWJXPULHNV-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001032558880 663527808 /nfs/dbraw/zinc/52/78/08/663527808.db2.gz NBOOIMSNFSDNRZ-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997876892 663530401 /nfs/dbraw/zinc/53/04/01/663530401.db2.gz YHCJIKDVZFCTKH-JTQLQIEISA-N 1 1 323.357 -2.129 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997876892 663530402 /nfs/dbraw/zinc/53/04/02/663530402.db2.gz YHCJIKDVZFCTKH-JTQLQIEISA-N 1 1 323.357 -2.129 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032561715 663531046 /nfs/dbraw/zinc/53/10/46/663531046.db2.gz XYOLROGYEMLBLI-SDDRHHMPSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032561715 663531049 /nfs/dbraw/zinc/53/10/49/663531049.db2.gz XYOLROGYEMLBLI-SDDRHHMPSA-N 1 1 321.381 -1.567 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(C)C2=O)n1 ZINC001032571523 663531243 /nfs/dbraw/zinc/53/12/43/663531243.db2.gz IJUROMJNHROVMB-GUBZILKMSA-N 1 1 305.342 -1.661 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(C)C2=O)n1 ZINC001032571523 663531246 /nfs/dbraw/zinc/53/12/46/663531246.db2.gz IJUROMJNHROVMB-GUBZILKMSA-N 1 1 305.342 -1.661 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032572043 663531648 /nfs/dbraw/zinc/53/16/48/663531648.db2.gz FFGDNQVYMPHGRG-CIUDSAMLSA-N 1 1 319.325 -2.086 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032572043 663531650 /nfs/dbraw/zinc/53/16/50/663531650.db2.gz FFGDNQVYMPHGRG-CIUDSAMLSA-N 1 1 319.325 -2.086 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)O1 ZINC000997931894 663532967 /nfs/dbraw/zinc/53/29/67/663532967.db2.gz YQESUWMZYMLZIU-LPUQOGTASA-N 1 1 323.393 -1.075 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)O1 ZINC000997931894 663532970 /nfs/dbraw/zinc/53/29/70/663532970.db2.gz YQESUWMZYMLZIU-LPUQOGTASA-N 1 1 323.393 -1.075 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000997950509 663533818 /nfs/dbraw/zinc/53/38/18/663533818.db2.gz ZEFREOIFXPCVLQ-CMPLNLGQSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000997950511 663533996 /nfs/dbraw/zinc/53/39/96/663533996.db2.gz ZEFREOIFXPCVLQ-JQWIXIFHSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)c1noc(C[NH2+]CC2CCN(C(=O)C(N)=O)CC2)n1 ZINC000998026294 663535030 /nfs/dbraw/zinc/53/50/30/663535030.db2.gz XPVKTESCVQFSSG-UHFFFAOYSA-N 1 1 310.358 -1.051 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001032595236 663535272 /nfs/dbraw/zinc/53/52/72/663535272.db2.gz JRIBURYTPLBEDR-AVGNSLFASA-N 1 1 318.381 -1.071 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001032595236 663535275 /nfs/dbraw/zinc/53/52/75/663535275.db2.gz JRIBURYTPLBEDR-AVGNSLFASA-N 1 1 318.381 -1.071 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032595143 663535477 /nfs/dbraw/zinc/53/54/77/663535477.db2.gz HGOWBBZKQNTXOO-SDDRHHMPSA-N 1 1 304.354 -1.150 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032595143 663535478 /nfs/dbraw/zinc/53/54/78/663535478.db2.gz HGOWBBZKQNTXOO-SDDRHHMPSA-N 1 1 304.354 -1.150 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998072018 663535748 /nfs/dbraw/zinc/53/57/48/663535748.db2.gz AJRRLSOXKZLJJE-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998072018 663535750 /nfs/dbraw/zinc/53/57/50/663535750.db2.gz AJRRLSOXKZLJJE-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032597414 663535811 /nfs/dbraw/zinc/53/58/11/663535811.db2.gz PTRSFNLXUNZQRH-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032597414 663535815 /nfs/dbraw/zinc/53/58/15/663535815.db2.gz PTRSFNLXUNZQRH-SDDRHHMPSA-N 1 1 321.381 -1.425 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1 ZINC000998138106 663536784 /nfs/dbraw/zinc/53/67/84/663536784.db2.gz YXNGIIICECCDRN-RISCZKNCSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(F)CCOC3)C2)C1 ZINC000998138106 663536789 /nfs/dbraw/zinc/53/67/89/663536789.db2.gz YXNGIIICECCDRN-RISCZKNCSA-N 1 1 315.345 -1.227 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000998131388 663536841 /nfs/dbraw/zinc/53/68/41/663536841.db2.gz ICMFACZSYVLHJE-LLVKDONJSA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000998131388 663536844 /nfs/dbraw/zinc/53/68/44/663536844.db2.gz ICMFACZSYVLHJE-LLVKDONJSA-N 1 1 322.369 -1.146 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001032600677 663536897 /nfs/dbraw/zinc/53/68/97/663536897.db2.gz WIZBHIJNWLQLHB-GUBZILKMSA-N 1 1 320.349 -1.658 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001032600677 663536898 /nfs/dbraw/zinc/53/68/98/663536898.db2.gz WIZBHIJNWLQLHB-GUBZILKMSA-N 1 1 320.349 -1.658 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)C1=O ZINC001032600693 663536901 /nfs/dbraw/zinc/53/69/01/663536901.db2.gz WZQCPENGAGRXME-DCAQKATOSA-N 1 1 306.366 -1.232 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)C1=O ZINC001032600693 663536903 /nfs/dbraw/zinc/53/69/03/663536903.db2.gz WZQCPENGAGRXME-DCAQKATOSA-N 1 1 306.366 -1.232 20 0 DAADMO Cn1ncc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)n1 ZINC000998152824 663537427 /nfs/dbraw/zinc/53/74/27/663537427.db2.gz ALHAFMCDVPGPKX-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998169429 663537798 /nfs/dbraw/zinc/53/77/98/663537798.db2.gz KYAWPLNGJGWJHE-JBLDHEPKSA-N 1 1 323.397 -1.275 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1C ZINC000998165106 663537810 /nfs/dbraw/zinc/53/78/10/663537810.db2.gz RYQQELIYWDIWRD-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1C ZINC000998165106 663537811 /nfs/dbraw/zinc/53/78/11/663537811.db2.gz RYQQELIYWDIWRD-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)Cc3nnc[nH]3)CC2)n1 ZINC000998214337 663538157 /nfs/dbraw/zinc/53/81/57/663538157.db2.gz RMUDPBOGWAXJMO-UHFFFAOYSA-N 1 1 319.373 -1.101 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(N)=O ZINC000946493750 663539100 /nfs/dbraw/zinc/53/91/00/663539100.db2.gz VSJCJJWAVFUYAK-BBBLOLIVSA-N 1 1 314.342 -2.856 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(N)=O ZINC000946493750 663539103 /nfs/dbraw/zinc/53/91/03/663539103.db2.gz VSJCJJWAVFUYAK-BBBLOLIVSA-N 1 1 314.342 -2.856 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ncccn3)C2)C1 ZINC000998267506 663539979 /nfs/dbraw/zinc/53/99/79/663539979.db2.gz XDYPLJMGJIKAHO-NSHDSACASA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ncccn3)C2)C1 ZINC000998267506 663539984 /nfs/dbraw/zinc/53/99/84/663539984.db2.gz XDYPLJMGJIKAHO-NSHDSACASA-N 1 1 305.338 -1.252 20 0 DAADMO C[C@H]([NH2+]C1CC(N(C)C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998425048 663542402 /nfs/dbraw/zinc/54/24/02/663542402.db2.gz CVCGHUPYCPKNFP-IDKOKCKLSA-N 1 1 320.361 -1.463 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998426902 663542667 /nfs/dbraw/zinc/54/26/67/663542667.db2.gz NZJOPORTWKIVLW-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998492090 663542875 /nfs/dbraw/zinc/54/28/75/663542875.db2.gz XHJLQWLWPRSAJR-VHSXEESVSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998490762 663542972 /nfs/dbraw/zinc/54/29/72/663542972.db2.gz RWZPLJCIYMLUDA-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000998492153 663543050 /nfs/dbraw/zinc/54/30/50/663543050.db2.gz YELIJRNHKKYZHI-JTQLQIEISA-N 1 1 305.346 -1.120 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998487953 663543250 /nfs/dbraw/zinc/54/32/50/663543250.db2.gz GAVUIRYMKHTKSP-SECBINFHSA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000998568799 663543617 /nfs/dbraw/zinc/54/36/17/663543617.db2.gz XTHIBRCORLUMMN-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998575720 663544015 /nfs/dbraw/zinc/54/40/15/663544015.db2.gz ZKMXYBOMCXHBEZ-MWLCHTKSSA-N 1 1 319.365 -1.092 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998577785 663544187 /nfs/dbraw/zinc/54/41/87/663544187.db2.gz QQLJHSRVRHQLSO-LLVKDONJSA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998577785 663544190 /nfs/dbraw/zinc/54/41/90/663544190.db2.gz QQLJHSRVRHQLSO-LLVKDONJSA-N 1 1 321.337 -1.959 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000998592359 663544823 /nfs/dbraw/zinc/54/48/23/663544823.db2.gz CMDHZAFJMYGZIS-MNOVXSKESA-N 1 1 310.358 -1.294 20 0 DAADMO CN(C(=O)c1cnn(C)c1N)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998664915 663545020 /nfs/dbraw/zinc/54/50/20/663545020.db2.gz CZJBSDHVARVCPE-UHFFFAOYSA-N 1 1 319.373 -1.081 20 0 DAADMO CN(C(=O)CN1CCOCC1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998638398 663545033 /nfs/dbraw/zinc/54/50/33/663545033.db2.gz UFJOYCIIUFIMAG-UHFFFAOYSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000998592367 663545049 /nfs/dbraw/zinc/54/50/49/663545049.db2.gz CMDHZAFJMYGZIS-QWRGUYRKSA-N 1 1 310.358 -1.294 20 0 DAADMO CN(C(=O)[C@H]1CN(C)CCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998584974 663545085 /nfs/dbraw/zinc/54/50/85/663545085.db2.gz IKJTXKMDWPZKLL-HTAVTVPLSA-N 1 1 323.401 -1.380 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998673522 663546608 /nfs/dbraw/zinc/54/66/08/663546608.db2.gz IOWWGXTZSOOXPN-ONGXEEELSA-N 1 1 309.370 -1.663 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998678539 663548435 /nfs/dbraw/zinc/54/84/35/663548435.db2.gz KFZIGUUBNZGMAF-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998677435 663548440 /nfs/dbraw/zinc/54/84/40/663548440.db2.gz FLCOOZRIZHTYEI-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998684622 663549287 /nfs/dbraw/zinc/54/92/87/663549287.db2.gz TZTVYWOFLUKUDK-JBLDHEPKSA-N 1 1 323.397 -1.275 20 0 DAADMO O=C([C@@H]1CCc2nnnn2CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032639539 663550714 /nfs/dbraw/zinc/55/07/14/663550714.db2.gz GBUFYBLDVYDVJR-WOPDTQHZSA-N 1 1 306.370 -1.097 20 0 DAADMO O=C([C@@H]1CCc2nnnn2CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032639539 663550715 /nfs/dbraw/zinc/55/07/15/663550715.db2.gz GBUFYBLDVYDVJR-WOPDTQHZSA-N 1 1 306.370 -1.097 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998716221 663550729 /nfs/dbraw/zinc/55/07/29/663550729.db2.gz YVNPWZYSZSZISQ-JTQLQIEISA-N 1 1 308.342 -2.374 20 0 DAADMO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC(NC(=O)C(N)=O)C2)n[nH]1 ZINC000998722837 663551119 /nfs/dbraw/zinc/55/11/19/663551119.db2.gz OEISKRWTQDCHFB-NSHDSACASA-N 1 1 320.353 -1.398 20 0 DAADMO C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC(NC(=O)C(N)=O)C2)n[nH]1 ZINC000998722837 663551120 /nfs/dbraw/zinc/55/11/20/663551120.db2.gz OEISKRWTQDCHFB-NSHDSACASA-N 1 1 320.353 -1.398 20 0 DAADMO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000998774012 663552151 /nfs/dbraw/zinc/55/21/51/663552151.db2.gz VSPPHCCILVBCJI-XNWIYYODSA-N 1 1 320.361 -1.463 20 0 DAADMO CN(C(=O)[C@H]1CC(=O)N(C)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998859231 663553037 /nfs/dbraw/zinc/55/30/37/663553037.db2.gz VERNBAXJFQXTTN-WHXUTIOJSA-N 1 1 321.385 -1.233 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000998917846 663553422 /nfs/dbraw/zinc/55/34/22/663553422.db2.gz UITLCUKUDDHJHJ-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC000998972769 663553693 /nfs/dbraw/zinc/55/36/93/663553693.db2.gz FQMJLEQSEWUROF-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC000998971950 663554031 /nfs/dbraw/zinc/55/40/31/663554031.db2.gz ASRICFUAIYNLMH-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998957750 663554045 /nfs/dbraw/zinc/55/40/45/663554045.db2.gz RKDVHNORMZMULF-VIFPVBQESA-N 1 1 321.345 -1.712 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC000998972771 663554140 /nfs/dbraw/zinc/55/41/40/663554140.db2.gz FQMJLEQSEWUROF-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000998965444 663554170 /nfs/dbraw/zinc/55/41/70/663554170.db2.gz RGIVLWXPDWOCTN-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000999024891 663554456 /nfs/dbraw/zinc/55/44/56/663554456.db2.gz LLJOABSQVZKDSA-GFCCVEGCSA-N 1 1 321.385 -1.231 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)NC1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999027447 663554773 /nfs/dbraw/zinc/55/47/73/663554773.db2.gz MPRCAAOKYHAXJA-WHXUTIOJSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC000999082478 663555024 /nfs/dbraw/zinc/55/50/24/663555024.db2.gz YKKJYTUKANCZFF-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999059058 663555166 /nfs/dbraw/zinc/55/51/66/663555166.db2.gz PCFPMOVYWDJOAD-BDAKNGLRSA-N 1 1 309.330 -1.601 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 ZINC000999161689 663556571 /nfs/dbraw/zinc/55/65/71/663556571.db2.gz KCSUOTIWRLISDH-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000890059497 663556581 /nfs/dbraw/zinc/55/65/81/663556581.db2.gz IMKLLLNTTYBYSN-NSHDSACASA-N 1 1 319.431 -1.128 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)n2)C1=O ZINC001032681045 663558240 /nfs/dbraw/zinc/55/82/40/663558240.db2.gz YCZJDFHMWAEYNW-NHCYSSNCSA-N 1 1 304.354 -1.056 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)n2)C1=O ZINC001032681045 663558242 /nfs/dbraw/zinc/55/82/42/663558242.db2.gz YCZJDFHMWAEYNW-NHCYSSNCSA-N 1 1 304.354 -1.056 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O ZINC001032686779 663558478 /nfs/dbraw/zinc/55/84/78/663558478.db2.gz JEPHMOOCLDJJHB-DCAQKATOSA-N 1 1 310.354 -1.142 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001032678762 663558493 /nfs/dbraw/zinc/55/84/93/663558493.db2.gz BVGYSQICYCUEME-SSOKKCIESA-N 1 1 322.365 -1.094 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001032678762 663558495 /nfs/dbraw/zinc/55/84/95/663558495.db2.gz BVGYSQICYCUEME-SSOKKCIESA-N 1 1 322.365 -1.094 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)C1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999269816 663559565 /nfs/dbraw/zinc/55/95/65/663559565.db2.gz IRECDKFNMHBQGS-ILDUYXDCSA-N 1 1 321.385 -1.233 20 0 DAADMO COCCc1noc(C[NH2+]C2CC(N(C)C(=O)C(N)=O)C2)n1 ZINC000999326632 663559604 /nfs/dbraw/zinc/55/96/04/663559604.db2.gz MBXHUHICJMHRPG-UHFFFAOYSA-N 1 1 311.342 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000999300015 663560151 /nfs/dbraw/zinc/56/01/51/663560151.db2.gz WSVBROBDZJAODL-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000999424971 663561362 /nfs/dbraw/zinc/56/13/62/663561362.db2.gz SCSPDFRRDJUELX-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032716674 663561397 /nfs/dbraw/zinc/56/13/97/663561397.db2.gz ZQHRDIIMFWYJMN-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000999424970 663561900 /nfs/dbraw/zinc/56/19/00/663561900.db2.gz SCSPDFRRDJUELX-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O ZINC001032717580 663562525 /nfs/dbraw/zinc/56/25/25/663562525.db2.gz LLMTXSOISWPPAV-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC000999793346 663564645 /nfs/dbraw/zinc/56/46/45/663564645.db2.gz KLJNUJXBRKFPHJ-ABAIWWIYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC000999797183 663564726 /nfs/dbraw/zinc/56/47/26/663564726.db2.gz KLJNUJXBRKFPHJ-XHDPSFHLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999805636 663566248 /nfs/dbraw/zinc/56/62/48/663566248.db2.gz STQGKGWLYFWBQR-ZUZCIYMTSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999835404 663566700 /nfs/dbraw/zinc/56/67/00/663566700.db2.gz AYWQQMXCPFINAL-MWLCHTKSSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999856497 663566923 /nfs/dbraw/zinc/56/69/23/663566923.db2.gz IWJCABMIHZKKPM-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000999889596 663567527 /nfs/dbraw/zinc/56/75/27/663567527.db2.gz WPVOSJSPDUMQRX-KOLCDFICSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000999887699 663567590 /nfs/dbraw/zinc/56/75/90/663567590.db2.gz GJPZGPRLXSPAQS-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cn(C)nn2)C1 ZINC000999886959 663567625 /nfs/dbraw/zinc/56/76/25/663567625.db2.gz CQKOLDFPCAJZEC-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000999869928 663568168 /nfs/dbraw/zinc/56/81/68/663568168.db2.gz JMRKYRGNBPUOMG-MWLCHTKSSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000999869929 663568264 /nfs/dbraw/zinc/56/82/64/663568264.db2.gz JMRKYRGNBPUOMG-ONGXEEELSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000999868521 663568555 /nfs/dbraw/zinc/56/85/55/663568555.db2.gz GQYSKDFKLQMNMG-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000999878106 663568718 /nfs/dbraw/zinc/56/87/18/663568718.db2.gz PWUGGBAREIFWKV-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999882217 663568831 /nfs/dbraw/zinc/56/88/31/663568831.db2.gz OBKFDVABOGFNMU-KOLCDFICSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000999881869 663568848 /nfs/dbraw/zinc/56/88/48/663568848.db2.gz FTFHHQYTUNNCNA-PWSUYJOCSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000999880980 663568868 /nfs/dbraw/zinc/56/88/68/663568868.db2.gz LLKNQDIJJBCUJI-ONGXEEELSA-N 1 1 317.411 -1.444 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000999913758 663569356 /nfs/dbraw/zinc/56/93/56/663569356.db2.gz LKNKKXJHTDGSDH-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999907272 663569464 /nfs/dbraw/zinc/56/94/64/663569464.db2.gz XRLNGYWQISVLHF-SCZZXKLOSA-N 1 1 307.358 -1.652 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000999921382 663569623 /nfs/dbraw/zinc/56/96/23/663569623.db2.gz YOLZTTBCFJYGHK-CHWFTXMASA-N 1 1 317.349 -1.038 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)c3nnn(C)n3)C2)n1 ZINC000999922663 663570143 /nfs/dbraw/zinc/57/01/43/663570143.db2.gz PKEQKFJXOYANIX-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999922744 663570285 /nfs/dbraw/zinc/57/02/85/663570285.db2.gz QAIPYMCBCKKDES-IUCAKERBSA-N 1 1 320.361 -1.311 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000999923164 663570339 /nfs/dbraw/zinc/57/03/39/663570339.db2.gz QRJPRKXIOTYXEO-NEPJUHHUSA-N 1 1 324.381 -1.843 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999925696 663570835 /nfs/dbraw/zinc/57/08/35/663570835.db2.gz FUQYNHCSLGBTHV-WCQGTBRESA-N 1 1 308.382 -1.081 20 0 DAADMO CC(=O)NCc1cn([C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941394 663571640 /nfs/dbraw/zinc/57/16/40/663571640.db2.gz ZVUAAQBEPFSVBX-RYUDHWBXSA-N 1 1 320.353 -1.034 20 0 DAADMO CC(=O)NCc1cn([C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941394 663571642 /nfs/dbraw/zinc/57/16/42/663571642.db2.gz ZVUAAQBEPFSVBX-RYUDHWBXSA-N 1 1 320.353 -1.034 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999957747 663571734 /nfs/dbraw/zinc/57/17/34/663571734.db2.gz XLQDSTGWGOPVAV-LLVKDONJSA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999957747 663571737 /nfs/dbraw/zinc/57/17/37/663571737.db2.gz XLQDSTGWGOPVAV-LLVKDONJSA-N 1 1 318.341 -1.337 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999940945 663571799 /nfs/dbraw/zinc/57/17/99/663571799.db2.gz MGEINQJIYXVSNA-WCFLWFBJSA-N 1 1 322.409 -1.011 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@@H]3CC[N@H+](CCF)C3)nn2)n1 ZINC001000018638 663571891 /nfs/dbraw/zinc/57/18/91/663571891.db2.gz YTUFBJIHFZNLPC-SNVBAGLBSA-N 1 1 323.336 -1.052 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCF)C3)nn2)n1 ZINC001000018638 663571896 /nfs/dbraw/zinc/57/18/96/663571896.db2.gz YTUFBJIHFZNLPC-SNVBAGLBSA-N 1 1 323.336 -1.052 20 0 DAADMO Cn1cc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)nn1 ZINC000999988423 663571957 /nfs/dbraw/zinc/57/19/57/663571957.db2.gz BYYSNYXLGPSNHZ-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1cnc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC000999988280 663572337 /nfs/dbraw/zinc/57/23/37/663572337.db2.gz BAQOIVIZNAEBBI-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993419 663572449 /nfs/dbraw/zinc/57/24/49/663572449.db2.gz UFJDQQAHJHBZST-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993419 663572450 /nfs/dbraw/zinc/57/24/50/663572450.db2.gz UFJDQQAHJHBZST-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO Cc1ccn(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000999968081 663572558 /nfs/dbraw/zinc/57/25/58/663572558.db2.gz COMNAMITXBNFCW-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccn(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000999968081 663572565 /nfs/dbraw/zinc/57/25/65/663572565.db2.gz COMNAMITXBNFCW-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001000018612 663572692 /nfs/dbraw/zinc/57/26/92/663572692.db2.gz YONHMQSJXIGUNX-QWRGUYRKSA-N 1 1 323.357 -2.185 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1)c1cn[nH]n1 ZINC001000002707 663573331 /nfs/dbraw/zinc/57/33/31/663573331.db2.gz LBUUEXCEGSYGFB-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCCO)C2)nn1)c1cnn[nH]1 ZINC001000002707 663573333 /nfs/dbraw/zinc/57/33/33/663573333.db2.gz LBUUEXCEGSYGFB-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1)c1cnn[nH]1 ZINC001000002707 663573335 /nfs/dbraw/zinc/57/33/35/663573335.db2.gz LBUUEXCEGSYGFB-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001000046968 663573392 /nfs/dbraw/zinc/57/33/92/663573392.db2.gz GXHMDTCLJKOMMX-KOLCDFICSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000039067 663573920 /nfs/dbraw/zinc/57/39/20/663573920.db2.gz SZCNBGNFSXWVLS-BDAKNGLRSA-N 1 1 308.346 -2.028 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000039072 663574276 /nfs/dbraw/zinc/57/42/76/663574276.db2.gz SZCNBGNFSXWVLS-RKDXNWHRSA-N 1 1 308.346 -2.028 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)c1nnc[nH]1 ZINC001000031705 663574547 /nfs/dbraw/zinc/57/45/47/663574547.db2.gz ZPZIKZUMHTXAOW-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)c1ncn[nH]1 ZINC001000031705 663574549 /nfs/dbraw/zinc/57/45/49/663574549.db2.gz ZPZIKZUMHTXAOW-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)c1ncn[nH]1 ZINC001000031705 663574550 /nfs/dbraw/zinc/57/45/50/663574550.db2.gz ZPZIKZUMHTXAOW-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)c1nc[nH]n1 ZINC001000031705 663574552 /nfs/dbraw/zinc/57/45/52/663574552.db2.gz ZPZIKZUMHTXAOW-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)c1nc[nH]n1 ZINC001000031705 663574553 /nfs/dbraw/zinc/57/45/53/663574553.db2.gz ZPZIKZUMHTXAOW-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO Cn1nc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccc1=O ZINC001000091451 663575378 /nfs/dbraw/zinc/57/53/78/663575378.db2.gz PRAZXQOPKIFQNV-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000114546 663575832 /nfs/dbraw/zinc/57/58/32/663575832.db2.gz CXCIJZZNRIVSND-ZYHUDNBSSA-N 1 1 306.370 -1.197 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001000136701 663578436 /nfs/dbraw/zinc/57/84/36/663578436.db2.gz UIDMIUHDFRZWMJ-VIFPVBQESA-N 1 1 323.353 -2.183 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001032742462 663579155 /nfs/dbraw/zinc/57/91/55/663579155.db2.gz LZBHFLGYBHULFE-BJDJZHNGSA-N 1 1 306.366 -1.219 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001032742462 663579157 /nfs/dbraw/zinc/57/91/57/663579157.db2.gz LZBHFLGYBHULFE-BJDJZHNGSA-N 1 1 306.366 -1.219 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001000172451 663579529 /nfs/dbraw/zinc/57/95/29/663579529.db2.gz UYDGKJAFFMHNMH-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)O1 ZINC001000193990 663580607 /nfs/dbraw/zinc/58/06/07/663580607.db2.gz UPSYIABVIRVVRK-MWLCHTKSSA-N 1 1 322.369 -1.607 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)O1 ZINC001000193990 663580610 /nfs/dbraw/zinc/58/06/10/663580610.db2.gz UPSYIABVIRVVRK-MWLCHTKSSA-N 1 1 322.369 -1.607 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032768343 663583757 /nfs/dbraw/zinc/58/37/57/663583757.db2.gz GVBRVMYFNGJPFN-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032769009 663584090 /nfs/dbraw/zinc/58/40/90/663584090.db2.gz UZOOOWLXUHZTEV-GARJFASQSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032769009 663584097 /nfs/dbraw/zinc/58/40/97/663584097.db2.gz UZOOOWLXUHZTEV-GARJFASQSA-N 1 1 318.337 -1.632 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O ZINC001032771584 663584250 /nfs/dbraw/zinc/58/42/50/663584250.db2.gz VKGOBWIWOZTHQD-DCAQKATOSA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032769582 663584320 /nfs/dbraw/zinc/58/43/20/663584320.db2.gz NRSMVWGKJVDAIZ-RYUDHWBXSA-N 1 1 319.369 -1.412 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032769582 663584328 /nfs/dbraw/zinc/58/43/28/663584328.db2.gz NRSMVWGKJVDAIZ-RYUDHWBXSA-N 1 1 319.369 -1.412 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016198853 663585259 /nfs/dbraw/zinc/58/52/59/663585259.db2.gz BBRAMEQIMCJSDF-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)c[nH]1 ZINC001032785495 663585515 /nfs/dbraw/zinc/58/55/15/663585515.db2.gz ILCAQFQVNHKWGP-NHCYSSNCSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)c[nH]1 ZINC001032785495 663585518 /nfs/dbraw/zinc/58/55/18/663585518.db2.gz ILCAQFQVNHKWGP-NHCYSSNCSA-N 1 1 317.349 -1.099 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206932 663586121 /nfs/dbraw/zinc/58/61/21/663586121.db2.gz BFDJLOINNPOEGK-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206932 663586123 /nfs/dbraw/zinc/58/61/23/663586123.db2.gz BFDJLOINNPOEGK-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001032789065 663586227 /nfs/dbraw/zinc/58/62/27/663586227.db2.gz SSJQLKJDIOZTKW-DCAQKATOSA-N 1 1 303.384 -1.390 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001032789065 663586229 /nfs/dbraw/zinc/58/62/29/663586229.db2.gz SSJQLKJDIOZTKW-DCAQKATOSA-N 1 1 303.384 -1.390 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccnnc3)C2)C1 ZINC001000466745 663586553 /nfs/dbraw/zinc/58/65/53/663586553.db2.gz PWJKASCVJDCDTG-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccnnc3)C2)C1 ZINC001000466745 663586559 /nfs/dbraw/zinc/58/65/59/663586559.db2.gz PWJKASCVJDCDTG-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016207624 663586620 /nfs/dbraw/zinc/58/66/20/663586620.db2.gz GBLVCMXMDDPMTE-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016207624 663586622 /nfs/dbraw/zinc/58/66/22/663586622.db2.gz GBLVCMXMDDPMTE-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001000455639 663586733 /nfs/dbraw/zinc/58/67/33/663586733.db2.gz IDCDQVQROXKPHX-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)CC[C@@H]2C1 ZINC000946551230 663586754 /nfs/dbraw/zinc/58/67/54/663586754.db2.gz ZJRMTTWRPKDRBV-OKILXGFUSA-N 1 1 324.425 -1.026 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016207613 663586831 /nfs/dbraw/zinc/58/68/31/663586831.db2.gz GBLVCMXMDDPMTE-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016207613 663586832 /nfs/dbraw/zinc/58/68/32/663586832.db2.gz GBLVCMXMDDPMTE-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016209906 663587160 /nfs/dbraw/zinc/58/71/60/663587160.db2.gz VREMFIXFHUFOBD-UWVGGRQHSA-N 1 1 308.338 -1.786 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016209906 663587161 /nfs/dbraw/zinc/58/71/61/663587161.db2.gz VREMFIXFHUFOBD-UWVGGRQHSA-N 1 1 308.338 -1.786 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032791673 663587233 /nfs/dbraw/zinc/58/72/33/663587233.db2.gz DIBSCKIUQZWAQK-MELADBBJSA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000559619 663587864 /nfs/dbraw/zinc/58/78/64/663587864.db2.gz PIHBMFNWRYKARY-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000559619 663587866 /nfs/dbraw/zinc/58/78/66/663587866.db2.gz PIHBMFNWRYKARY-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001000527107 663587933 /nfs/dbraw/zinc/58/79/33/663587933.db2.gz YXTIRKVAKSPTOY-NEPJUHHUSA-N 1 1 306.366 -1.098 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001000527107 663587936 /nfs/dbraw/zinc/58/79/36/663587936.db2.gz YXTIRKVAKSPTOY-NEPJUHHUSA-N 1 1 306.366 -1.098 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(=O)NCC12COC2 ZINC000921794986 663588244 /nfs/dbraw/zinc/58/82/44/663588244.db2.gz SOXPECJCRFYPOM-RYUDHWBXSA-N 1 1 309.366 -1.033 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588933 /nfs/dbraw/zinc/58/89/33/663588933.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC001000550166 663588938 /nfs/dbraw/zinc/58/89/38/663588938.db2.gz IKHFIXHHCYIFQS-KGLIPLIRSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000595007 663589008 /nfs/dbraw/zinc/58/90/08/663589008.db2.gz YVWGSAYEUHWZNE-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000595007 663589014 /nfs/dbraw/zinc/58/90/14/663589014.db2.gz YVWGSAYEUHWZNE-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000548527 663589066 /nfs/dbraw/zinc/58/90/66/663589066.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 1 1 310.398 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000548527 663589068 /nfs/dbraw/zinc/58/90/68/663589068.db2.gz VTAJFWPFWPCWAI-CYBMUJFWSA-N 1 1 310.398 -1.189 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001000594518 663589357 /nfs/dbraw/zinc/58/93/57/663589357.db2.gz QWVKWCHLAWRVRV-KBPBESRZSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001000594518 663589362 /nfs/dbraw/zinc/58/93/62/663589362.db2.gz QWVKWCHLAWRVRV-KBPBESRZSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000595006 663589477 /nfs/dbraw/zinc/58/94/77/663589477.db2.gz YVWGSAYEUHWZNE-AAEUAGOBSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000595006 663589480 /nfs/dbraw/zinc/58/94/80/663589480.db2.gz YVWGSAYEUHWZNE-AAEUAGOBSA-N 1 1 310.398 -1.061 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001000641348 663590603 /nfs/dbraw/zinc/59/06/03/663590603.db2.gz XUHMTLWTGCFMON-WDEREUQCSA-N 1 1 308.338 -1.268 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001000641348 663590612 /nfs/dbraw/zinc/59/06/12/663590612.db2.gz XUHMTLWTGCFMON-WDEREUQCSA-N 1 1 308.338 -1.268 20 0 DAADMO NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001000685012 663590731 /nfs/dbraw/zinc/59/07/31/663590731.db2.gz ASHVZNZFGWEIGY-UWVGGRQHSA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001000685012 663590734 /nfs/dbraw/zinc/59/07/34/663590734.db2.gz ASHVZNZFGWEIGY-UWVGGRQHSA-N 1 1 306.370 -1.025 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001000656777 663590909 /nfs/dbraw/zinc/59/09/09/663590909.db2.gz KBONAMXAJGGGJI-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000643068 663590914 /nfs/dbraw/zinc/59/09/14/663590914.db2.gz KQIYJOUJCMBTIA-ONGXEEELSA-N 1 1 310.354 -1.022 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000643068 663590915 /nfs/dbraw/zinc/59/09/15/663590915.db2.gz KQIYJOUJCMBTIA-ONGXEEELSA-N 1 1 310.354 -1.022 20 0 DAADMO Cn1cnc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)cc1=O ZINC001000794399 663591314 /nfs/dbraw/zinc/59/13/14/663591314.db2.gz BUFUKITVYVXGFC-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO Cn1cnc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)cc1=O ZINC001000794399 663591318 /nfs/dbraw/zinc/59/13/18/663591318.db2.gz BUFUKITVYVXGFC-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001000861509 663592145 /nfs/dbraw/zinc/59/21/45/663592145.db2.gz PSBZHXLMCMQJDN-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001000861509 663592149 /nfs/dbraw/zinc/59/21/49/663592149.db2.gz PSBZHXLMCMQJDN-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO CN1C[C@H](C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001001044076 663593658 /nfs/dbraw/zinc/59/36/58/663593658.db2.gz NVXAOMMZRYKKLU-VXGBXAGGSA-N 1 1 321.381 -1.353 20 0 DAADMO CN1C[C@H](C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001001044076 663593665 /nfs/dbraw/zinc/59/36/65/663593665.db2.gz NVXAOMMZRYKKLU-VXGBXAGGSA-N 1 1 321.381 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001001024034 663593860 /nfs/dbraw/zinc/59/38/60/663593860.db2.gz URFYOVFLZMZTML-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001001024034 663593866 /nfs/dbraw/zinc/59/38/66/663593866.db2.gz URFYOVFLZMZTML-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802606 663594708 /nfs/dbraw/zinc/59/47/08/663594708.db2.gz GPJIBPBJPWYWBA-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802606 663594713 /nfs/dbraw/zinc/59/47/13/663594713.db2.gz GPJIBPBJPWYWBA-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802839 663595508 /nfs/dbraw/zinc/59/55/08/663595508.db2.gz PLRIPNQMVKXYKB-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802839 663595512 /nfs/dbraw/zinc/59/55/12/663595512.db2.gz PLRIPNQMVKXYKB-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001155987 663596503 /nfs/dbraw/zinc/59/65/03/663596503.db2.gz GGKUOVWAHIHYRB-NWDGAFQWSA-N 1 1 308.382 -1.056 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001155987 663596504 /nfs/dbraw/zinc/59/65/04/663596504.db2.gz GGKUOVWAHIHYRB-NWDGAFQWSA-N 1 1 308.382 -1.056 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001001222794 663597090 /nfs/dbraw/zinc/59/70/90/663597090.db2.gz QUHAUYOENBZWMD-NSHDSACASA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001001207709 663597692 /nfs/dbraw/zinc/59/76/92/663597692.db2.gz OMXGNBHYAXQEMC-QWRGUYRKSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001001207710 663597764 /nfs/dbraw/zinc/59/77/64/663597764.db2.gz OMXGNBHYAXQEMC-WDEREUQCSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001203262 663597884 /nfs/dbraw/zinc/59/78/84/663597884.db2.gz IUVLEIDCVCTZCF-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001203262 663597887 /nfs/dbraw/zinc/59/78/87/663597887.db2.gz IUVLEIDCVCTZCF-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001001203196 663597918 /nfs/dbraw/zinc/59/79/18/663597918.db2.gz HKDOKGQKKFHSQU-LLVKDONJSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001001205592 663598148 /nfs/dbraw/zinc/59/81/48/663598148.db2.gz ARNALCHHSWNSPD-NSHDSACASA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cncnc3)C2)C1 ZINC001001298291 663599295 /nfs/dbraw/zinc/59/92/95/663599295.db2.gz YFCGQKCNYQRDAU-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cncnc3)C2)C1 ZINC001001298291 663599300 /nfs/dbraw/zinc/59/93/00/663599300.db2.gz YFCGQKCNYQRDAU-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001001297401 663599456 /nfs/dbraw/zinc/59/94/56/663599456.db2.gz ROQSTWMAYPTMDQ-SNVBAGLBSA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001001297401 663599461 /nfs/dbraw/zinc/59/94/61/663599461.db2.gz ROQSTWMAYPTMDQ-SNVBAGLBSA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001001297399 663599556 /nfs/dbraw/zinc/59/95/56/663599556.db2.gz ROQSTWMAYPTMDQ-JTQLQIEISA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001001297399 663599565 /nfs/dbraw/zinc/59/95/65/663599565.db2.gz ROQSTWMAYPTMDQ-JTQLQIEISA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cncnc3)C2)C1 ZINC001001298290 663599842 /nfs/dbraw/zinc/59/98/42/663599842.db2.gz YFCGQKCNYQRDAU-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cncnc3)C2)C1 ZINC001001298290 663599845 /nfs/dbraw/zinc/59/98/45/663599845.db2.gz YFCGQKCNYQRDAU-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cccnn3)C2)C1 ZINC001001297854 663599853 /nfs/dbraw/zinc/59/98/53/663599853.db2.gz UPMTXXSJRWOSKD-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cccnn3)C2)C1 ZINC001001297854 663599856 /nfs/dbraw/zinc/59/98/56/663599856.db2.gz UPMTXXSJRWOSKD-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001295039 663599887 /nfs/dbraw/zinc/59/98/87/663599887.db2.gz DLUKZIRXWHLEGQ-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001295039 663599889 /nfs/dbraw/zinc/59/98/89/663599889.db2.gz DLUKZIRXWHLEGQ-GFCCVEGCSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001295059 663600005 /nfs/dbraw/zinc/60/00/05/663600005.db2.gz DQCHROGTKXTEIK-NEPJUHHUSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001295059 663600012 /nfs/dbraw/zinc/60/00/12/663600012.db2.gz DQCHROGTKXTEIK-NEPJUHHUSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cccnn3)C2)C1 ZINC001001297857 663600204 /nfs/dbraw/zinc/60/02/04/663600204.db2.gz UPMTXXSJRWOSKD-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cccnn3)C2)C1 ZINC001001297857 663600207 /nfs/dbraw/zinc/60/02/07/663600207.db2.gz UPMTXXSJRWOSKD-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001301576 663600538 /nfs/dbraw/zinc/60/05/38/663600538.db2.gz GTJAWKNFJQLZOL-LBPRGKRZSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001301576 663600541 /nfs/dbraw/zinc/60/05/41/663600541.db2.gz GTJAWKNFJQLZOL-LBPRGKRZSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001303113 663600736 /nfs/dbraw/zinc/60/07/36/663600736.db2.gz NDZBZWULHRXWFZ-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001303113 663600737 /nfs/dbraw/zinc/60/07/37/663600737.db2.gz NDZBZWULHRXWFZ-NSHDSACASA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001303111 663600776 /nfs/dbraw/zinc/60/07/76/663600776.db2.gz NDZBZWULHRXWFZ-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001303111 663600780 /nfs/dbraw/zinc/60/07/80/663600780.db2.gz NDZBZWULHRXWFZ-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001001385047 663601024 /nfs/dbraw/zinc/60/10/24/663601024.db2.gz YXTIRKVAKSPTOY-RYUDHWBXSA-N 1 1 306.366 -1.098 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001001385047 663601026 /nfs/dbraw/zinc/60/10/26/663601026.db2.gz YXTIRKVAKSPTOY-RYUDHWBXSA-N 1 1 306.366 -1.098 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001001314020 663601149 /nfs/dbraw/zinc/60/11/49/663601149.db2.gz XJUFFEICRSVUML-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001001314020 663601152 /nfs/dbraw/zinc/60/11/52/663601152.db2.gz XJUFFEICRSVUML-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001455902 663601472 /nfs/dbraw/zinc/60/14/72/663601472.db2.gz FLBAXDYMHXMJJJ-ZYHUDNBSSA-N 1 1 317.411 -1.193 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001001430263 663601607 /nfs/dbraw/zinc/60/16/07/663601607.db2.gz HUAPTRZUAHDBKE-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001001430263 663601609 /nfs/dbraw/zinc/60/16/09/663601609.db2.gz HUAPTRZUAHDBKE-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001001430264 663601785 /nfs/dbraw/zinc/60/17/85/663601785.db2.gz HUAPTRZUAHDBKE-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001001430264 663601789 /nfs/dbraw/zinc/60/17/89/663601789.db2.gz HUAPTRZUAHDBKE-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001001494690 663601949 /nfs/dbraw/zinc/60/19/49/663601949.db2.gz WNTWEIJXTYLOTE-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(CC(N)=O)CC2)C1 ZINC001001461015 663602194 /nfs/dbraw/zinc/60/21/94/663602194.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2=CCN(CC(N)=O)CC2)C1 ZINC001001461015 663602195 /nfs/dbraw/zinc/60/21/95/663602195.db2.gz FUDGUSIVDJLLNG-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001001603837 663604163 /nfs/dbraw/zinc/60/41/63/663604163.db2.gz JJRSFMMRTJNCJA-CYBMUJFWSA-N 1 1 322.409 -1.009 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001001687817 663604632 /nfs/dbraw/zinc/60/46/32/663604632.db2.gz QUFDNGRAFIJJNF-NSHDSACASA-N 1 1 321.337 -1.125 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001001668732 663604804 /nfs/dbraw/zinc/60/48/04/663604804.db2.gz HWBQHSDEMBXQDF-MNOVXSKESA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001001689217 663605657 /nfs/dbraw/zinc/60/56/57/663605657.db2.gz XGPVYYQRBXJVOG-GHMZBOCLSA-N 1 1 310.354 -1.379 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001001723772 663607383 /nfs/dbraw/zinc/60/73/83/663607383.db2.gz MIZJUFXFFUIFOQ-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001728163 663607950 /nfs/dbraw/zinc/60/79/50/663607950.db2.gz PHPYMPLRQAKYAT-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001001974839 663611666 /nfs/dbraw/zinc/61/16/66/663611666.db2.gz DDMWPRKNJIDKSY-ZDUSSCGKSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001977903 663611739 /nfs/dbraw/zinc/61/17/39/663611739.db2.gz NWWMLLCTCPIMTG-LLVKDONJSA-N 1 1 307.358 -1.801 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001001974213 663611783 /nfs/dbraw/zinc/61/17/83/663611783.db2.gz AILAYOOFRXJUNV-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001976576 663611881 /nfs/dbraw/zinc/61/18/81/663611881.db2.gz IDQQEHWDHIAPHF-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC001001980675 663612070 /nfs/dbraw/zinc/61/20/70/663612070.db2.gz YQYKBXZXLZKSIV-AWEZNQCLSA-N 1 1 324.425 -1.155 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001001999085 663612077 /nfs/dbraw/zinc/61/20/77/663612077.db2.gz KCWJXCXTMMBUBQ-VXGBXAGGSA-N 1 1 323.397 -1.464 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001998992 663612217 /nfs/dbraw/zinc/61/22/17/663612217.db2.gz JHELUNUMJXFRFW-VXGBXAGGSA-N 1 1 308.382 -1.351 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001002001471 663612353 /nfs/dbraw/zinc/61/23/53/663612353.db2.gz QGJZVWGFYWFRHG-QWHCGFSZSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001998342 663612431 /nfs/dbraw/zinc/61/24/31/663612431.db2.gz MGIUVFMZKVWXQS-LBPRGKRZSA-N 1 1 306.370 -1.196 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001980162 663612470 /nfs/dbraw/zinc/61/24/70/663612470.db2.gz VRBLLMCDCUWDKB-KBPBESRZSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)[C@H]1CCC(=O)N1 ZINC001032824814 663614099 /nfs/dbraw/zinc/61/40/99/663614099.db2.gz NKNBWZFUBSLBBV-RWMBFGLXSA-N 1 1 321.381 -1.287 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001002393930 663614156 /nfs/dbraw/zinc/61/41/56/663614156.db2.gz JYGCFOWWZLJFOY-ZENOOKHLSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001002393930 663614158 /nfs/dbraw/zinc/61/41/58/663614158.db2.gz JYGCFOWWZLJFOY-ZENOOKHLSA-N 1 1 323.393 -1.072 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)CC[C@@H]2C1 ZINC000946563072 663614236 /nfs/dbraw/zinc/61/42/36/663614236.db2.gz XEAYESAIEVZJTG-PHIMTYICSA-N 1 1 322.369 -1.361 20 0 DAADMO O=C(Cn1cnnn1)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001002304248 663614387 /nfs/dbraw/zinc/61/43/87/663614387.db2.gz SKCSANYRKZFGNX-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307030 663614943 /nfs/dbraw/zinc/61/49/43/663614943.db2.gz RRBDGYDIKKJFSH-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307030 663614946 /nfs/dbraw/zinc/61/49/46/663614946.db2.gz RRBDGYDIKKJFSH-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308240 663615234 /nfs/dbraw/zinc/61/52/34/663615234.db2.gz YYNCKMUJMLQUAQ-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308240 663615236 /nfs/dbraw/zinc/61/52/36/663615236.db2.gz YYNCKMUJMLQUAQ-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@@H]1[C@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000925349371 663615276 /nfs/dbraw/zinc/61/52/76/663615276.db2.gz VUIIORSTYRSCSG-OUAUKWLOSA-N 1 1 317.415 -1.377 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000925349372 663615429 /nfs/dbraw/zinc/61/54/29/663615429.db2.gz VUIIORSTYRSCSG-VWYCJHECSA-N 1 1 317.415 -1.377 20 0 DAADMO Cn1nnnc1CN1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002523638 663616006 /nfs/dbraw/zinc/61/60/06/663616006.db2.gz QOLKMXQHSSVBQI-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002523638 663616008 /nfs/dbraw/zinc/61/60/08/663616008.db2.gz QOLKMXQHSSVBQI-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032827067 663617615 /nfs/dbraw/zinc/61/76/15/663617615.db2.gz BJEVAVJUKDWLRF-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032827067 663617617 /nfs/dbraw/zinc/61/76/17/663617617.db2.gz BJEVAVJUKDWLRF-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001032826994 663617726 /nfs/dbraw/zinc/61/77/26/663617726.db2.gz ASAODCROZYHAIQ-VWYCJHECSA-N 1 1 310.354 -1.189 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827040 663617946 /nfs/dbraw/zinc/61/79/46/663617946.db2.gz WSWSRSBLROQLAR-GUBZILKMSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827040 663617947 /nfs/dbraw/zinc/61/79/47/663617947.db2.gz WSWSRSBLROQLAR-GUBZILKMSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002645802 663618038 /nfs/dbraw/zinc/61/80/38/663618038.db2.gz ZBMNXNLCIOIOAP-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1)NC1CC1 ZINC001002724577 663618825 /nfs/dbraw/zinc/61/88/25/663618825.db2.gz ZCXAPVPNXBDJDW-LLVKDONJSA-N 1 1 310.354 -1.046 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC001002813935 663618976 /nfs/dbraw/zinc/61/89/76/663618976.db2.gz AKBMNVOCKSFNTI-UHFFFAOYSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001002861728 663619688 /nfs/dbraw/zinc/61/96/88/663619688.db2.gz DXACMSZHDXWDJG-QMMMGPOBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC001002880621 663619740 /nfs/dbraw/zinc/61/97/40/663619740.db2.gz QDPJIPMMHVJFMN-BXKDBHETSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC001002880621 663619741 /nfs/dbraw/zinc/61/97/41/663619741.db2.gz QDPJIPMMHVJFMN-BXKDBHETSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341915 663619897 /nfs/dbraw/zinc/61/98/97/663619897.db2.gz VQVDZMZEBHZTDJ-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831572 663619975 /nfs/dbraw/zinc/61/99/75/663619975.db2.gz BHJATJDCFHNOJN-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831572 663619976 /nfs/dbraw/zinc/61/99/76/663619976.db2.gz BHJATJDCFHNOJN-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831530 663620078 /nfs/dbraw/zinc/62/00/78/663620078.db2.gz VOGHMLMIFCTCCB-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831530 663620081 /nfs/dbraw/zinc/62/00/81/663620081.db2.gz VOGHMLMIFCTCCB-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831534 663620126 /nfs/dbraw/zinc/62/01/26/663620126.db2.gz WKYVHAMNSFJHBF-VWYCJHECSA-N 1 1 310.354 -1.189 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032830117 663620131 /nfs/dbraw/zinc/62/01/31/663620131.db2.gz WOVYXCZRNXTRNQ-HBNTYKKESA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032830117 663620133 /nfs/dbraw/zinc/62/01/33/663620133.db2.gz WOVYXCZRNXTRNQ-HBNTYKKESA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032829697 663620140 /nfs/dbraw/zinc/62/01/40/663620140.db2.gz WOVYXCZRNXTRNQ-GARJFASQSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032829697 663620143 /nfs/dbraw/zinc/62/01/43/663620143.db2.gz WOVYXCZRNXTRNQ-GARJFASQSA-N 1 1 322.365 -1.397 20 0 DAADMO CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002908887 663620604 /nfs/dbraw/zinc/62/06/04/663620604.db2.gz BQYPOIGCTZZYIH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002908887 663620606 /nfs/dbraw/zinc/62/06/06/663620606.db2.gz BQYPOIGCTZZYIH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)n(C)c1=O ZINC001016352430 663621448 /nfs/dbraw/zinc/62/14/48/663621448.db2.gz ALMHIAOMZNDABM-NSHDSACASA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n(C)c1=O ZINC001016352430 663621450 /nfs/dbraw/zinc/62/14/50/663621450.db2.gz ALMHIAOMZNDABM-NSHDSACASA-N 1 1 321.381 -1.240 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CC1=O ZINC001002949843 663621705 /nfs/dbraw/zinc/62/17/05/663621705.db2.gz NWOZECNJMXYVJN-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001002955776 663621777 /nfs/dbraw/zinc/62/17/77/663621777.db2.gz UNNIACMECLEOEH-VIFPVBQESA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001032833058 663622093 /nfs/dbraw/zinc/62/20/93/663622093.db2.gz NKNBWZFUBSLBBV-XQQFMLRXSA-N 1 1 321.381 -1.287 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(C)CCC(=O)NC1)CCOCCO ZINC000922115516 663622214 /nfs/dbraw/zinc/62/22/14/663622214.db2.gz FIGXNPQVPVCGIZ-AWEZNQCLSA-N 1 1 301.387 -1.040 20 0 DAADMO CN1CCC[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922114024 663622520 /nfs/dbraw/zinc/62/25/20/663622520.db2.gz PJWOLXCJZBLIJU-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H](O)C1CCOCC1)CCOCCO ZINC000922125964 663622835 /nfs/dbraw/zinc/62/28/35/663622835.db2.gz XALMJJKTUXTYKK-CYBMUJFWSA-N 1 1 304.387 -1.169 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)CCOCCO)ccc1=O ZINC000922124343 663622995 /nfs/dbraw/zinc/62/29/95/663622995.db2.gz CLUGFRXLTIVBMH-UHFFFAOYSA-N 1 1 312.370 -1.066 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CCOCCO)S(C)(=O)=O ZINC000922121801 663623013 /nfs/dbraw/zinc/62/30/13/663623013.db2.gz CFKYGXXCKIEMQK-UHFFFAOYSA-N 1 1 311.404 -2.065 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCCNC1=O ZINC001003070105 663623593 /nfs/dbraw/zinc/62/35/93/663623593.db2.gz FGODLROFOHXJRO-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCCNC1=O ZINC001003070102 663623610 /nfs/dbraw/zinc/62/36/10/663623610.db2.gz FGODLROFOHXJRO-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001003052549 663623625 /nfs/dbraw/zinc/62/36/25/663623625.db2.gz QWLITVSQARMEMA-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032834252 663623846 /nfs/dbraw/zinc/62/38/46/663623846.db2.gz GMMYCCPDWKGNPH-BBBLOLIVSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032834252 663623847 /nfs/dbraw/zinc/62/38/47/663623847.db2.gz GMMYCCPDWKGNPH-BBBLOLIVSA-N 1 1 308.338 -1.739 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(C(N)=O)nc2)CC1 ZINC001003152163 663624934 /nfs/dbraw/zinc/62/49/34/663624934.db2.gz JEBBWBHUVDMUOF-UHFFFAOYSA-N 1 1 319.365 -1.211 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001003256052 663626778 /nfs/dbraw/zinc/62/67/78/663626778.db2.gz ACURWOZUFFUVIU-UHFFFAOYSA-N 1 1 323.353 -1.725 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001003256611 663626808 /nfs/dbraw/zinc/62/68/08/663626808.db2.gz JZYAEXXWNNKIHM-VIFPVBQESA-N 1 1 323.353 -1.597 20 0 DAADMO O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001003364906 663627872 /nfs/dbraw/zinc/62/78/72/663627872.db2.gz OLKFODQPQQDABH-JTQLQIEISA-N 1 1 319.383 -2.528 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001003367052 663628165 /nfs/dbraw/zinc/62/81/65/663628165.db2.gz LKFCIWFTMARRMT-NSHDSACASA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@]1(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CNC(=O)C1 ZINC001003367651 663628375 /nfs/dbraw/zinc/62/83/75/663628375.db2.gz MAYNHAXCWXJGCS-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1=O ZINC001003419395 663628457 /nfs/dbraw/zinc/62/84/57/663628457.db2.gz CWLXZEISEMFOCG-UHFFFAOYSA-N 1 1 309.326 -1.835 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003423256 663628778 /nfs/dbraw/zinc/62/87/78/663628778.db2.gz CMOFOZYLPDTFOT-LBPRGKRZSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1)NC1CC1 ZINC001003429998 663628854 /nfs/dbraw/zinc/62/88/54/663628854.db2.gz AEODVNJCXDVZAZ-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841914 663629021 /nfs/dbraw/zinc/62/90/21/663629021.db2.gz WKYVHAMNSFJHBF-AXFHLTTASA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001003423172 663629050 /nfs/dbraw/zinc/62/90/50/663629050.db2.gz AFLAQQSCUKIMSS-JTQLQIEISA-N 1 1 311.386 -2.127 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003479784 663629401 /nfs/dbraw/zinc/62/94/01/663629401.db2.gz LOQSZGJSLUUWIY-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@H]([NH+]2CCC(NC(=O)c3nnn(C)n3)CC2)C1=O ZINC001003452074 663629620 /nfs/dbraw/zinc/62/96/20/663629620.db2.gz CZTARKHOHCHGFR-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1=O ZINC001003465939 663629668 /nfs/dbraw/zinc/62/96/68/663629668.db2.gz REOHINFZKWNOMB-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001003532924 663630853 /nfs/dbraw/zinc/63/08/53/663630853.db2.gz HGPMSNSDJKUSGQ-NSHDSACASA-N 1 1 309.370 -1.519 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001003532827 663630868 /nfs/dbraw/zinc/63/08/68/663630868.db2.gz YIQKUUSGGDETPY-NSHDSACASA-N 1 1 322.369 -1.368 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001003532827 663630869 /nfs/dbraw/zinc/63/08/69/663630869.db2.gz YIQKUUSGGDETPY-NSHDSACASA-N 1 1 322.369 -1.368 20 0 DAADMO CN(C(=O)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)C1CC1 ZINC001003533318 663630873 /nfs/dbraw/zinc/63/08/73/663630873.db2.gz SHBYIQQILIAJTP-GFCCVEGCSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001003561875 663632369 /nfs/dbraw/zinc/63/23/69/663632369.db2.gz RSLBRWBJTJNBGZ-LBPRGKRZSA-N 1 1 319.365 -1.098 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003562001 663632373 /nfs/dbraw/zinc/63/23/73/663632373.db2.gz URVZCHGAZIJABS-VXGBXAGGSA-N 1 1 308.382 -1.351 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)O1 ZINC001003616111 663633570 /nfs/dbraw/zinc/63/35/70/663633570.db2.gz ZXRZLWCOCSNBLD-GRYCIOLGSA-N 1 1 324.381 -1.512 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)O1 ZINC001003616112 663633736 /nfs/dbraw/zinc/63/37/36/663633736.db2.gz ZXRZLWCOCSNBLD-SDDRHHMPSA-N 1 1 324.381 -1.512 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003714062 663637779 /nfs/dbraw/zinc/63/77/79/663637779.db2.gz ZWZIKBCOMISTED-SNVBAGLBSA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003712213 663638025 /nfs/dbraw/zinc/63/80/25/663638025.db2.gz OFTRRYMPCUVATO-KOLCDFICSA-N 1 1 321.385 -1.404 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)O1 ZINC001003814645 663639780 /nfs/dbraw/zinc/63/97/80/663639780.db2.gz QSGMWUSFCUOYRO-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)O1 ZINC001003814645 663639782 /nfs/dbraw/zinc/63/97/82/663639782.db2.gz QSGMWUSFCUOYRO-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001032897265 663640525 /nfs/dbraw/zinc/64/05/25/663640525.db2.gz OARGHAZQCOQELJ-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001032897265 663640526 /nfs/dbraw/zinc/64/05/26/663640526.db2.gz OARGHAZQCOQELJ-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003837171 663640606 /nfs/dbraw/zinc/64/06/06/663640606.db2.gz ROYOVVBKCSZKBO-UHFFFAOYSA-N 1 1 323.353 -1.195 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894235 663640770 /nfs/dbraw/zinc/64/07/70/663640770.db2.gz USOPSWKXFWIRAI-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894235 663640773 /nfs/dbraw/zinc/64/07/73/663640773.db2.gz USOPSWKXFWIRAI-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894022 663640818 /nfs/dbraw/zinc/64/08/18/663640818.db2.gz SDFVXWFJWFBIRO-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894022 663640820 /nfs/dbraw/zinc/64/08/20/663640820.db2.gz SDFVXWFJWFBIRO-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO Cc1cc(C)n(CC(=O)NC2CC[NH+](CC(N)=O)CC2)c(=O)n1 ZINC001003842300 663640908 /nfs/dbraw/zinc/64/09/08/663640908.db2.gz LFWAHNQXCQCCFR-UHFFFAOYSA-N 1 1 321.381 -1.074 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001003915365 663641247 /nfs/dbraw/zinc/64/12/47/663641247.db2.gz YNZHCAKWPLEMAV-UHFFFAOYSA-N 1 1 311.342 -2.006 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)CC2 ZINC001003904203 663641369 /nfs/dbraw/zinc/64/13/69/663641369.db2.gz GTFOHXRQPMDMFM-NSHDSACASA-N 1 1 319.365 -1.186 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003949113 663643109 /nfs/dbraw/zinc/64/31/09/663643109.db2.gz DPXOLXKCEWBWNG-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003956965 663643149 /nfs/dbraw/zinc/64/31/49/663643149.db2.gz XTPZZPDPKKLLIV-PWSUYJOCSA-N 1 1 323.397 -1.416 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003951747 663643633 /nfs/dbraw/zinc/64/36/33/663643633.db2.gz YMLOGWCPECQEBY-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033026183 663645130 /nfs/dbraw/zinc/64/51/30/663645130.db2.gz MKGPFAMMVXSAAJ-MNOVXSKESA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033026183 663645133 /nfs/dbraw/zinc/64/51/33/663645133.db2.gz MKGPFAMMVXSAAJ-MNOVXSKESA-N 1 1 322.369 -1.253 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004107156 663645719 /nfs/dbraw/zinc/64/57/19/663645719.db2.gz FFDCPVMGMAISHK-SNVBAGLBSA-N 1 1 323.353 -1.993 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001033038441 663645966 /nfs/dbraw/zinc/64/59/66/663645966.db2.gz QNARQYVNFNDFNG-QWHCGFSZSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001033038441 663645968 /nfs/dbraw/zinc/64/59/68/663645968.db2.gz QNARQYVNFNDFNG-QWHCGFSZSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004166781 663646268 /nfs/dbraw/zinc/64/62/68/663646268.db2.gz MEVMWQKWWZFZSB-SCZZXKLOSA-N 1 1 318.399 -1.868 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033044479 663646419 /nfs/dbraw/zinc/64/64/19/663646419.db2.gz FSRVQTVQBVGEMH-MNOVXSKESA-N 1 1 308.342 -1.081 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004166779 663646662 /nfs/dbraw/zinc/64/66/62/663646662.db2.gz MEVMWQKWWZFZSB-PSASIEDQSA-N 1 1 318.399 -1.868 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033059479 663646886 /nfs/dbraw/zinc/64/68/86/663646886.db2.gz YQWZAPDAKYKOGN-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033059479 663646890 /nfs/dbraw/zinc/64/68/90/663646890.db2.gz YQWZAPDAKYKOGN-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001004250165 663647486 /nfs/dbraw/zinc/64/74/86/663647486.db2.gz GIHAHJFNVOAREW-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004207610 663647597 /nfs/dbraw/zinc/64/75/97/663647597.db2.gz QPDKWPIXUZFBNZ-QMMMGPOBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001004218931 663647638 /nfs/dbraw/zinc/64/76/38/663647638.db2.gz KJAQSKIHUGVJEX-SECBINFHSA-N 1 1 309.370 -1.208 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001004219131 663647664 /nfs/dbraw/zinc/64/76/64/663647664.db2.gz OOQAHXMSWHNCFG-UHFFFAOYSA-N 1 1 309.370 -1.336 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033083865 663647988 /nfs/dbraw/zinc/64/79/88/663647988.db2.gz AQEQJBNZVNAPOA-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033083865 663647989 /nfs/dbraw/zinc/64/79/89/663647989.db2.gz AQEQJBNZVNAPOA-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033083965 663648076 /nfs/dbraw/zinc/64/80/76/663648076.db2.gz BBZRGNDQURHCIK-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085898 663648186 /nfs/dbraw/zinc/64/81/86/663648186.db2.gz KGJCSUSZQITAMB-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085898 663648190 /nfs/dbraw/zinc/64/81/90/663648190.db2.gz KGJCSUSZQITAMB-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004286031 663648538 /nfs/dbraw/zinc/64/85/38/663648538.db2.gz SNCREUATRWLMNY-BDAKNGLRSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004286033 663648565 /nfs/dbraw/zinc/64/85/65/663648565.db2.gz SNCREUATRWLMNY-DTWKUNHWSA-N 1 1 310.354 -1.506 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004283721 663648899 /nfs/dbraw/zinc/64/88/99/663648899.db2.gz BWBLAQBOPJLHLS-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001004426899 663649002 /nfs/dbraw/zinc/64/90/02/663649002.db2.gz CPROWVUCKZOBQY-GFCCVEGCSA-N 1 1 321.385 -1.139 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033110306 663649185 /nfs/dbraw/zinc/64/91/85/663649185.db2.gz DPLQUEWXCITVDD-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001004460644 663650247 /nfs/dbraw/zinc/65/02/47/663650247.db2.gz UBACOJTVLXKYMC-ZYHUDNBSSA-N 1 1 321.385 -1.555 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001004472792 663650357 /nfs/dbraw/zinc/65/03/57/663650357.db2.gz PCTYHWRNRVIVIE-NEPJUHHUSA-N 1 1 319.365 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001033123836 663650533 /nfs/dbraw/zinc/65/05/33/663650533.db2.gz SEJWDCJPJNZYKW-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001033123836 663650537 /nfs/dbraw/zinc/65/05/37/663650537.db2.gz SEJWDCJPJNZYKW-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033127828 663650722 /nfs/dbraw/zinc/65/07/22/663650722.db2.gz XFOGSXPNIKZQJW-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001033130649 663650790 /nfs/dbraw/zinc/65/07/90/663650790.db2.gz GYTJCRUSXYOFAB-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1nnc(C[N@@H+]2CCC[C@H]2C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001004521915 663651307 /nfs/dbraw/zinc/65/13/07/663651307.db2.gz HURCZLFRWCUGGX-NSHDSACASA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnc(C[N@H+]2CCC[C@H]2C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001004521915 663651309 /nfs/dbraw/zinc/65/13/09/663651309.db2.gz HURCZLFRWCUGGX-NSHDSACASA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnc(C[N@@H+]2CCC[C@@H]2C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001004521914 663651479 /nfs/dbraw/zinc/65/14/79/663651479.db2.gz HURCZLFRWCUGGX-LLVKDONJSA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnc(C[N@H+]2CCC[C@@H]2C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001004521914 663651480 /nfs/dbraw/zinc/65/14/80/663651480.db2.gz HURCZLFRWCUGGX-LLVKDONJSA-N 1 1 321.385 -1.102 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033152051 663652183 /nfs/dbraw/zinc/65/21/83/663652183.db2.gz JSTMZJJZPQHDTM-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033152051 663652185 /nfs/dbraw/zinc/65/21/85/663652185.db2.gz JSTMZJJZPQHDTM-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)c1=O ZINC000946654067 663652357 /nfs/dbraw/zinc/65/23/57/663652357.db2.gz VLUKPVWAYXVRDA-BETUJISGSA-N 1 1 323.397 -1.256 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccnnc3)C2)C1 ZINC001004739655 663652864 /nfs/dbraw/zinc/65/28/64/663652864.db2.gz WRWKZOJFFSVMFE-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccnnc3)C2)C1 ZINC001004739655 663652865 /nfs/dbraw/zinc/65/28/65/663652865.db2.gz WRWKZOJFFSVMFE-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033162909 663652925 /nfs/dbraw/zinc/65/29/25/663652925.db2.gz VIMOBXBTMVAYPJ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033162909 663652930 /nfs/dbraw/zinc/65/29/30/663652930.db2.gz VIMOBXBTMVAYPJ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)NC1=O ZINC000946714374 663653255 /nfs/dbraw/zinc/65/32/55/663653255.db2.gz RGURQQUGZTVHIX-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)CC[C@@H]2C1 ZINC000946720794 663653278 /nfs/dbraw/zinc/65/32/78/663653278.db2.gz IRXHGLRPPFPHED-PHIMTYICSA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCCCN1C(=O)CC(N)=O ZINC001004775528 663653300 /nfs/dbraw/zinc/65/33/00/663653300.db2.gz RTRQXPWRKUBYRG-NXEZZACHSA-N 1 1 309.374 -1.055 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC000946710185 663653524 /nfs/dbraw/zinc/65/35/24/663653524.db2.gz IKRIQRSCNZXCAO-GRYCIOLGSA-N 1 1 308.382 -1.222 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946751885 663654173 /nfs/dbraw/zinc/65/41/73/663654173.db2.gz IUTFHEMPTQBJBJ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203059 663654950 /nfs/dbraw/zinc/65/49/50/663654950.db2.gz BIABBWMVJUTWAQ-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203059 663654953 /nfs/dbraw/zinc/65/49/53/663654953.db2.gz BIABBWMVJUTWAQ-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206693 663654987 /nfs/dbraw/zinc/65/49/87/663654987.db2.gz IKZGLMGWHYZNBR-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206693 663654991 /nfs/dbraw/zinc/65/49/91/663654991.db2.gz IKZGLMGWHYZNBR-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033212115 663655074 /nfs/dbraw/zinc/65/50/74/663655074.db2.gz PXTMFZFEODOHIC-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033206875 663655106 /nfs/dbraw/zinc/65/51/06/663655106.db2.gz LRXHXWOYUKNDGH-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033229853 663655549 /nfs/dbraw/zinc/65/55/49/663655549.db2.gz WSOLEGMWKKLOPY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033229853 663655553 /nfs/dbraw/zinc/65/55/53/663655553.db2.gz WSOLEGMWKKLOPY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033223602 663655572 /nfs/dbraw/zinc/65/55/72/663655572.db2.gz YSYPINVZAIJAHY-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240711 663656100 /nfs/dbraw/zinc/65/61/00/663656100.db2.gz ONTJIORIJPQCPJ-ZJUUUORDSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240711 663656103 /nfs/dbraw/zinc/65/61/03/663656103.db2.gz ONTJIORIJPQCPJ-ZJUUUORDSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240701 663656202 /nfs/dbraw/zinc/65/62/02/663656202.db2.gz ONTJIORIJPQCPJ-NXEZZACHSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240701 663656204 /nfs/dbraw/zinc/65/62/04/663656204.db2.gz ONTJIORIJPQCPJ-NXEZZACHSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240706 663656307 /nfs/dbraw/zinc/65/63/07/663656307.db2.gz ONTJIORIJPQCPJ-UWVGGRQHSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240706 663656309 /nfs/dbraw/zinc/65/63/09/663656309.db2.gz ONTJIORIJPQCPJ-UWVGGRQHSA-N 1 1 323.353 -1.645 20 0 DAADMO O=C1CNC(=O)N1CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000625636244 663657338 /nfs/dbraw/zinc/65/73/38/663657338.db2.gz CVSSOLMWPCSENO-UHFFFAOYSA-N 1 1 305.342 -1.065 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000946796470 663657374 /nfs/dbraw/zinc/65/73/74/663657374.db2.gz JVFXVHGXNJVUBQ-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nnc(C(=O)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000946796046 663657552 /nfs/dbraw/zinc/65/75/52/663657552.db2.gz CGQJIUXCPWPREK-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033329386 663658246 /nfs/dbraw/zinc/65/82/46/663658246.db2.gz ULGNNZCAHLGJBK-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033329386 663658248 /nfs/dbraw/zinc/65/82/48/663658248.db2.gz ULGNNZCAHLGJBK-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033321739 663658303 /nfs/dbraw/zinc/65/83/03/663658303.db2.gz NFUABAUWCFQYBX-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033321739 663658305 /nfs/dbraw/zinc/65/83/05/663658305.db2.gz NFUABAUWCFQYBX-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033327354 663658552 /nfs/dbraw/zinc/65/85/52/663658552.db2.gz IHGUSKXDIXKZRX-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033327354 663658553 /nfs/dbraw/zinc/65/85/53/663658553.db2.gz IHGUSKXDIXKZRX-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033332691 663658963 /nfs/dbraw/zinc/65/89/63/663658963.db2.gz OJXWHGXTQFEQEB-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033336271 663659000 /nfs/dbraw/zinc/65/90/00/663659000.db2.gz OVACFYCFTYNHME-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033336271 663659004 /nfs/dbraw/zinc/65/90/04/663659004.db2.gz OVACFYCFTYNHME-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014710446 663659095 /nfs/dbraw/zinc/65/90/95/663659095.db2.gz HRMSOCYNUUEMBT-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014710446 663659096 /nfs/dbraw/zinc/65/90/96/663659096.db2.gz HRMSOCYNUUEMBT-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033337118 663659106 /nfs/dbraw/zinc/65/91/06/663659106.db2.gz FSZRIUFAHSDGRU-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033337118 663659107 /nfs/dbraw/zinc/65/91/07/663659107.db2.gz FSZRIUFAHSDGRU-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NCCCN1CCCCCC1=O ZINC000625712556 663659111 /nfs/dbraw/zinc/65/91/11/663659111.db2.gz ZXFRZDVLOKUMAD-STQMWFEESA-N 1 1 313.398 -1.067 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347696 663659266 /nfs/dbraw/zinc/65/92/66/663659266.db2.gz ZKTJYECMAPCSTN-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347696 663659268 /nfs/dbraw/zinc/65/92/68/663659268.db2.gz ZKTJYECMAPCSTN-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033380726 663659306 /nfs/dbraw/zinc/65/93/06/663659306.db2.gz SVZISMHICQYREV-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346836 663659381 /nfs/dbraw/zinc/65/93/81/663659381.db2.gz VDCXNWSQDQTNEY-UWVGGRQHSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346836 663659382 /nfs/dbraw/zinc/65/93/82/663659382.db2.gz VDCXNWSQDQTNEY-UWVGGRQHSA-N 1 1 309.374 -1.167 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033343371 663659570 /nfs/dbraw/zinc/65/95/70/663659570.db2.gz CTLZCZSPXJSFQM-SNVBAGLBSA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001033376169 663659811 /nfs/dbraw/zinc/65/98/11/663659811.db2.gz NDMCDQHNVJAHKX-NSHDSACASA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001033376169 663659812 /nfs/dbraw/zinc/65/98/12/663659812.db2.gz NDMCDQHNVJAHKX-NSHDSACASA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033372907 663659824 /nfs/dbraw/zinc/65/98/24/663659824.db2.gz KUZMTESFZRNQID-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033371744 663659967 /nfs/dbraw/zinc/65/99/67/663659967.db2.gz BPIHHURNMFCUOT-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033371733 663659976 /nfs/dbraw/zinc/65/99/76/663659976.db2.gz BPIHHURNMFCUOT-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033380728 663660195 /nfs/dbraw/zinc/66/01/95/663660195.db2.gz SVZISMHICQYREV-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501814 663661107 /nfs/dbraw/zinc/66/11/07/663661107.db2.gz IWQQXWWREJHVQQ-MNOVXSKESA-N 1 1 324.381 -1.164 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501814 663661109 /nfs/dbraw/zinc/66/11/09/663661109.db2.gz IWQQXWWREJHVQQ-MNOVXSKESA-N 1 1 324.381 -1.164 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033470907 663661201 /nfs/dbraw/zinc/66/12/01/663661201.db2.gz CQEYQKXNEDTBCI-VIFPVBQESA-N 1 1 323.353 -2.284 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033470907 663661202 /nfs/dbraw/zinc/66/12/02/663661202.db2.gz CQEYQKXNEDTBCI-VIFPVBQESA-N 1 1 323.353 -2.284 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CC[N@H+](CCF)C1 ZINC001033470266 663661455 /nfs/dbraw/zinc/66/14/55/663661455.db2.gz VDWFIJDQJRQICU-SECBINFHSA-N 1 1 314.317 -1.091 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033470266 663661456 /nfs/dbraw/zinc/66/14/56/663661456.db2.gz VDWFIJDQJRQICU-SECBINFHSA-N 1 1 314.317 -1.091 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033501101 663661704 /nfs/dbraw/zinc/66/17/04/663661704.db2.gz BHQUGUHZFDTZKZ-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033501101 663661706 /nfs/dbraw/zinc/66/17/06/663661706.db2.gz BHQUGUHZFDTZKZ-GHMZBOCLSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033508276 663662077 /nfs/dbraw/zinc/66/20/77/663662077.db2.gz SIZNPLAINMARHT-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033508276 663662079 /nfs/dbraw/zinc/66/20/79/663662079.db2.gz SIZNPLAINMARHT-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033502151 663662083 /nfs/dbraw/zinc/66/20/83/663662083.db2.gz NHRXTOJXMQCFHT-GHMZBOCLSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033519558 663662102 /nfs/dbraw/zinc/66/21/02/663662102.db2.gz VQPUXGJBMXJQNB-SECBINFHSA-N 1 1 322.325 -1.232 20 0 DAADMO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033519558 663662103 /nfs/dbraw/zinc/66/21/03/663662103.db2.gz VQPUXGJBMXJQNB-SECBINFHSA-N 1 1 322.325 -1.232 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033530170 663662215 /nfs/dbraw/zinc/66/22/15/663662215.db2.gz NRIOFUINPHTQAM-SECBINFHSA-N 1 1 323.353 -1.243 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033530170 663662217 /nfs/dbraw/zinc/66/22/17/663662217.db2.gz NRIOFUINPHTQAM-SECBINFHSA-N 1 1 323.353 -1.243 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033514563 663662352 /nfs/dbraw/zinc/66/23/52/663662352.db2.gz WWXDXBZWWHSGIK-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033514563 663662355 /nfs/dbraw/zinc/66/23/55/663662355.db2.gz WWXDXBZWWHSGIK-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502998 663662360 /nfs/dbraw/zinc/66/23/60/663662360.db2.gz UUDKRBNRDPVZKK-SCZZXKLOSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502998 663662361 /nfs/dbraw/zinc/66/23/61/663662361.db2.gz UUDKRBNRDPVZKK-SCZZXKLOSA-N 1 1 310.354 -1.554 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033514075 663662369 /nfs/dbraw/zinc/66/23/69/663662369.db2.gz SUFRJFFDXZKNIH-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033502157 663662384 /nfs/dbraw/zinc/66/23/84/663662384.db2.gz NHRXTOJXMQCFHT-MNOVXSKESA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033508277 663662581 /nfs/dbraw/zinc/66/25/81/663662581.db2.gz SIZNPLAINMARHT-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033508277 663662587 /nfs/dbraw/zinc/66/25/87/663662587.db2.gz SIZNPLAINMARHT-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033530171 663663083 /nfs/dbraw/zinc/66/30/83/663663083.db2.gz NRIOFUINPHTQAM-VIFPVBQESA-N 1 1 323.353 -1.243 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033530171 663663084 /nfs/dbraw/zinc/66/30/84/663663084.db2.gz NRIOFUINPHTQAM-VIFPVBQESA-N 1 1 323.353 -1.243 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001033584127 663663943 /nfs/dbraw/zinc/66/39/43/663663943.db2.gz WHVJYKTZYWXRMV-VHSXEESVSA-N 1 1 320.353 -1.055 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033570838 663664209 /nfs/dbraw/zinc/66/42/09/663664209.db2.gz KQXPGUJESGJAAD-VHSXEESVSA-N 1 1 320.353 -1.315 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033570838 663664211 /nfs/dbraw/zinc/66/42/11/663664211.db2.gz KQXPGUJESGJAAD-VHSXEESVSA-N 1 1 320.353 -1.315 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641113 663664793 /nfs/dbraw/zinc/66/47/93/663664793.db2.gz XDAOCBIGPQACGI-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641113 663664796 /nfs/dbraw/zinc/66/47/96/663664796.db2.gz XDAOCBIGPQACGI-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001033626383 663664911 /nfs/dbraw/zinc/66/49/11/663664911.db2.gz QCDDBDQZYFDCKQ-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033635435 663665071 /nfs/dbraw/zinc/66/50/71/663665071.db2.gz JMSZQODATXWRKV-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033635435 663665073 /nfs/dbraw/zinc/66/50/73/663665073.db2.gz JMSZQODATXWRKV-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626247 663665122 /nfs/dbraw/zinc/66/51/22/663665122.db2.gz OMYJRDJWJQCCCQ-GXSJLCMTSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626247 663665123 /nfs/dbraw/zinc/66/51/23/663665123.db2.gz OMYJRDJWJQCCCQ-GXSJLCMTSA-N 1 1 324.385 -1.703 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671108 663665541 /nfs/dbraw/zinc/66/55/41/663665541.db2.gz MDJYXZYMXHNWJK-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033644826 663665564 /nfs/dbraw/zinc/66/55/64/663665564.db2.gz QOVYTYZWSSWYAZ-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033644826 663665567 /nfs/dbraw/zinc/66/55/67/663665567.db2.gz QOVYTYZWSSWYAZ-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033659049 663665597 /nfs/dbraw/zinc/66/55/97/663665597.db2.gz JVCFXNYUOSMPLQ-QMMMGPOBSA-N 1 1 309.326 -1.883 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033659049 663665601 /nfs/dbraw/zinc/66/56/01/663665601.db2.gz JVCFXNYUOSMPLQ-QMMMGPOBSA-N 1 1 309.326 -1.883 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646039 663666116 /nfs/dbraw/zinc/66/61/16/663666116.db2.gz IUEHPVDVECQVIA-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646039 663666118 /nfs/dbraw/zinc/66/61/18/663666118.db2.gz IUEHPVDVECQVIA-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033711829 663666389 /nfs/dbraw/zinc/66/63/89/663666389.db2.gz DCASISJJRGKFGA-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033711829 663666390 /nfs/dbraw/zinc/66/63/90/663666390.db2.gz DCASISJJRGKFGA-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033686996 663666465 /nfs/dbraw/zinc/66/64/65/663666465.db2.gz WBTGDGXXFLDXTI-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033715681 663667264 /nfs/dbraw/zinc/66/72/64/663667264.db2.gz PJUYXRVWQSWVTF-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033715681 663667265 /nfs/dbraw/zinc/66/72/65/663667265.db2.gz PJUYXRVWQSWVTF-QWRGUYRKSA-N 1 1 324.381 -1.340 20 0 DAADMO CCN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033795348 663667267 /nfs/dbraw/zinc/66/72/67/663667267.db2.gz NWXDCVNGWKHSCR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@H]1COCCN1C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033795348 663667268 /nfs/dbraw/zinc/66/72/68/663667268.db2.gz NWXDCVNGWKHSCR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005332848 663667529 /nfs/dbraw/zinc/66/75/29/663667529.db2.gz AKYSEGSCPOYUMK-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033929011 663667876 /nfs/dbraw/zinc/66/78/76/663667876.db2.gz ITDKJJAWFUDINI-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033929011 663667877 /nfs/dbraw/zinc/66/78/77/663667877.db2.gz ITDKJJAWFUDINI-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C1CC[NH+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001005475144 663667936 /nfs/dbraw/zinc/66/79/36/663667936.db2.gz MUTMADSCXJCPPX-SNVBAGLBSA-N 1 1 324.381 -1.068 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033926211 663667963 /nfs/dbraw/zinc/66/79/63/663667963.db2.gz ALJKDXNQLAVMRI-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033926211 663667965 /nfs/dbraw/zinc/66/79/65/663667965.db2.gz ALJKDXNQLAVMRI-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033980788 663668299 /nfs/dbraw/zinc/66/82/99/663668299.db2.gz ZREBCBZNQWCJKP-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033984641 663668748 /nfs/dbraw/zinc/66/87/48/663668748.db2.gz VTCVAVICVLKMJB-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034095347 663668949 /nfs/dbraw/zinc/66/89/49/663668949.db2.gz TZHSECCYYOZYIY-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034095347 663668950 /nfs/dbraw/zinc/66/89/50/663668950.db2.gz TZHSECCYYOZYIY-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034043336 663669041 /nfs/dbraw/zinc/66/90/41/663669041.db2.gz DJNUYIRXBKUKIT-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+](CC(=O)N2CCC2)C1 ZINC001034095860 663669313 /nfs/dbraw/zinc/66/93/13/663669313.db2.gz YWPQDAZQSYXLHW-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001034095860 663669314 /nfs/dbraw/zinc/66/93/14/663669314.db2.gz YWPQDAZQSYXLHW-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034044347 663669376 /nfs/dbraw/zinc/66/93/76/663669376.db2.gz KILYCYGTNBRPQO-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034207085 663669548 /nfs/dbraw/zinc/66/95/48/663669548.db2.gz HTZUUUULUAZLQQ-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175377 663669580 /nfs/dbraw/zinc/66/95/80/663669580.db2.gz PMEWJFORHLZRIH-UWVGGRQHSA-N 1 1 310.358 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034175377 663669583 /nfs/dbraw/zinc/66/95/83/663669583.db2.gz PMEWJFORHLZRIH-UWVGGRQHSA-N 1 1 310.358 -1.172 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)n1 ZINC001034216061 663669668 /nfs/dbraw/zinc/66/96/68/663669668.db2.gz CYOGINCFIABLKA-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034175289 663669718 /nfs/dbraw/zinc/66/97/18/663669718.db2.gz OGGBBZDWLMTLBI-QWRGUYRKSA-N 1 1 322.369 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034207083 663669796 /nfs/dbraw/zinc/66/97/96/663669796.db2.gz HTZUUUULUAZLQQ-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034208593 663669839 /nfs/dbraw/zinc/66/98/39/663669839.db2.gz UAYPZESOPYINGW-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034207084 663669888 /nfs/dbraw/zinc/66/98/88/663669888.db2.gz HTZUUUULUAZLQQ-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001034209237 663669923 /nfs/dbraw/zinc/66/99/23/663669923.db2.gz YMWNMUDNUBFEMR-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034206884 663669929 /nfs/dbraw/zinc/66/99/29/663669929.db2.gz GJEALZUTPAYTDA-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001005520098 663669973 /nfs/dbraw/zinc/66/99/73/663669973.db2.gz CICLKAGXKSMMJY-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)C1CC[NH+](CC(N)=O)CC1 ZINC001005518467 663669995 /nfs/dbraw/zinc/66/99/95/663669995.db2.gz LKXZDEZWDDAQJF-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001034249371 663670393 /nfs/dbraw/zinc/67/03/93/663670393.db2.gz HKCPOAGUVOUEEA-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001034249371 663670394 /nfs/dbraw/zinc/67/03/94/663670394.db2.gz HKCPOAGUVOUEEA-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279874 663670403 /nfs/dbraw/zinc/67/04/03/663670403.db2.gz QLYDILFQGXVQAR-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279874 663670405 /nfs/dbraw/zinc/67/04/05/663670405.db2.gz QLYDILFQGXVQAR-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)c1=O ZINC001034279318 663670564 /nfs/dbraw/zinc/67/05/64/663670564.db2.gz KCNGHYUQTBGDGD-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)c1=O ZINC001034279318 663670565 /nfs/dbraw/zinc/67/05/65/663670565.db2.gz KCNGHYUQTBGDGD-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001034249369 663670755 /nfs/dbraw/zinc/67/07/55/663670755.db2.gz HKCPOAGUVOUEEA-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001034249369 663670757 /nfs/dbraw/zinc/67/07/57/663670757.db2.gz HKCPOAGUVOUEEA-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)c1=O ZINC001034343712 663670866 /nfs/dbraw/zinc/67/08/66/663670866.db2.gz DSGCZYDXKOMEEC-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)c1=O ZINC001034343712 663670868 /nfs/dbraw/zinc/67/08/68/663670868.db2.gz DSGCZYDXKOMEEC-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001034383854 663670941 /nfs/dbraw/zinc/67/09/41/663670941.db2.gz YXDARWSIWJKOLZ-RYUDHWBXSA-N 1 1 309.370 -1.300 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379226 663671149 /nfs/dbraw/zinc/67/11/49/663671149.db2.gz NSCBFFOHZRLIIP-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379226 663671151 /nfs/dbraw/zinc/67/11/51/663671151.db2.gz NSCBFFOHZRLIIP-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379223 663671245 /nfs/dbraw/zinc/67/12/45/663671245.db2.gz NSCBFFOHZRLIIP-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001034379223 663671247 /nfs/dbraw/zinc/67/12/47/663671247.db2.gz NSCBFFOHZRLIIP-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001034373826 663671258 /nfs/dbraw/zinc/67/12/58/663671258.db2.gz YFSABPBBGGVVNK-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001034373826 663671261 /nfs/dbraw/zinc/67/12/61/663671261.db2.gz YFSABPBBGGVVNK-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001034372890 663671270 /nfs/dbraw/zinc/67/12/70/663671270.db2.gz QFNHNJGXSNBATD-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001034377685 663671325 /nfs/dbraw/zinc/67/13/25/663671325.db2.gz FTORZAONXQTEHM-NEPJUHHUSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034377951 663671412 /nfs/dbraw/zinc/67/14/12/663671412.db2.gz GQZSBKDSUDXWAZ-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034377951 663671415 /nfs/dbraw/zinc/67/14/15/663671415.db2.gz GQZSBKDSUDXWAZ-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034378609 663671447 /nfs/dbraw/zinc/67/14/47/663671447.db2.gz KIIPUVSMIQDWDS-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001034378609 663671450 /nfs/dbraw/zinc/67/14/50/663671450.db2.gz KIIPUVSMIQDWDS-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)c(=O)n1C ZINC001034508325 663671527 /nfs/dbraw/zinc/67/15/27/663671527.db2.gz HMGPPMVRYRVLIJ-GFCCVEGCSA-N 1 1 311.386 -1.147 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)S1(=O)=O ZINC001034442173 663671675 /nfs/dbraw/zinc/67/16/75/663671675.db2.gz MVOPKBXGHHFYEW-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447022 663671742 /nfs/dbraw/zinc/67/17/42/663671742.db2.gz DOPZYHQHMQUFOZ-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515012 663671814 /nfs/dbraw/zinc/67/18/14/663671814.db2.gz DQCHGUDIKKVEBZ-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515012 663671815 /nfs/dbraw/zinc/67/18/15/663671815.db2.gz DQCHGUDIKKVEBZ-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001034531617 663671991 /nfs/dbraw/zinc/67/19/91/663671991.db2.gz MAXZYFFTTKZEOB-GHMZBOCLSA-N 1 1 305.400 -1.359 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1=O ZINC001034487784 663671867 /nfs/dbraw/zinc/67/18/67/663671867.db2.gz QIUOSYKPJCUNBG-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449917 663671879 /nfs/dbraw/zinc/67/18/79/663671879.db2.gz VYMRZQGMMMFFOG-MWLCHTKSSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449917 663671880 /nfs/dbraw/zinc/67/18/80/663671880.db2.gz VYMRZQGMMMFFOG-MWLCHTKSSA-N 1 1 324.381 -1.116 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1=O ZINC001034487781 663671951 /nfs/dbraw/zinc/67/19/51/663671951.db2.gz QIUOSYKPJCUNBG-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450253 663671974 /nfs/dbraw/zinc/67/19/74/663671974.db2.gz YROLVSRLWMIXER-JTQLQIEISA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450253 663671975 /nfs/dbraw/zinc/67/19/75/663671975.db2.gz YROLVSRLWMIXER-JTQLQIEISA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034525072 663671985 /nfs/dbraw/zinc/67/19/85/663671985.db2.gz XFGQPHHDPDCYOV-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001034532066 663672402 /nfs/dbraw/zinc/67/24/02/663672402.db2.gz OYQDZCKXWKSNPG-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001034532066 663672404 /nfs/dbraw/zinc/67/24/04/663672404.db2.gz OYQDZCKXWKSNPG-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034560022 663672440 /nfs/dbraw/zinc/67/24/40/663672440.db2.gz UAYGVJLIUIVMTM-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034560022 663672441 /nfs/dbraw/zinc/67/24/41/663672441.db2.gz UAYGVJLIUIVMTM-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001034531623 663672580 /nfs/dbraw/zinc/67/25/80/663672580.db2.gz MAXZYFFTTKZEOB-WDEREUQCSA-N 1 1 305.400 -1.359 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001034544402 663672589 /nfs/dbraw/zinc/67/25/89/663672589.db2.gz OAUQVWJVSACHHJ-SNVBAGLBSA-N 1 1 309.370 -1.207 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001034544402 663672591 /nfs/dbraw/zinc/67/25/91/663672591.db2.gz OAUQVWJVSACHHJ-SNVBAGLBSA-N 1 1 309.370 -1.207 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC001034637858 663672882 /nfs/dbraw/zinc/67/28/82/663672882.db2.gz MHVDHOKRNONSHI-GUBZILKMSA-N 1 1 323.357 -1.165 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)c3nnn(C)n3)CC2)n1 ZINC001034710902 663673272 /nfs/dbraw/zinc/67/32/72/663673272.db2.gz PBKYNMGUACXDCN-KYZUINATSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001034852353 663674571 /nfs/dbraw/zinc/67/45/71/663674571.db2.gz DCGOPSOJTMXOEN-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794167 663674786 /nfs/dbraw/zinc/67/47/86/663674786.db2.gz ALBIPUYEIPLDAH-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794167 663674787 /nfs/dbraw/zinc/67/47/87/663674787.db2.gz ALBIPUYEIPLDAH-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001034889895 663675034 /nfs/dbraw/zinc/67/50/34/663675034.db2.gz UYLIPIXRZFWVQQ-SNVBAGLBSA-N 1 1 307.358 -1.036 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCCN1C ZINC001034911613 663675359 /nfs/dbraw/zinc/67/53/59/663675359.db2.gz NZLSOASESUGNCO-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)c1cnnn1C ZINC001034926125 663675750 /nfs/dbraw/zinc/67/57/50/663675750.db2.gz WKJCGSFWLYLSHA-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001034928079 663676003 /nfs/dbraw/zinc/67/60/03/663676003.db2.gz DUCOLICSRPMUJQ-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001034964887 663676114 /nfs/dbraw/zinc/67/61/14/663676114.db2.gz ATHOVUZJIDEETA-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1)c1nnnn1C ZINC001034938190 663676131 /nfs/dbraw/zinc/67/61/31/663676131.db2.gz JBXFCSSNFZEXDY-VHSXEESVSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001034937298 663676147 /nfs/dbraw/zinc/67/61/47/663676147.db2.gz LJIOAPZJRVGFNG-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2C)n1 ZINC001035017611 663676323 /nfs/dbraw/zinc/67/63/23/663676323.db2.gz XQLMXPROIYAAFZ-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC001034967311 663676631 /nfs/dbraw/zinc/67/66/31/663676631.db2.gz CWACLRBWTLXWCK-SECBINFHSA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001034983738 663676681 /nfs/dbraw/zinc/67/66/81/663676681.db2.gz NYSLLKVZIJXAMM-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001035012407 663676689 /nfs/dbraw/zinc/67/66/89/663676689.db2.gz CFIYLQURLLHAFQ-MNOVXSKESA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001035014490 663676729 /nfs/dbraw/zinc/67/67/29/663676729.db2.gz LXLOIDBKQSGMEW-NEPJUHHUSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001035031019 663677093 /nfs/dbraw/zinc/67/70/93/663677093.db2.gz QYKVTQFQVSMKSV-RKDXNWHRSA-N 1 1 308.346 -2.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(C)CCC(=O)N1 ZINC001035040250 663677162 /nfs/dbraw/zinc/67/71/62/663677162.db2.gz XGLOUSNOCCMYHO-YGRLFVJLSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001035078532 663677230 /nfs/dbraw/zinc/67/72/30/663677230.db2.gz PCBVBKCZDGJBPB-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001035032168 663677357 /nfs/dbraw/zinc/67/73/57/663677357.db2.gz NWLFVRWSBNODGS-SECBINFHSA-N 1 1 308.342 -1.626 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC001035183770 663677524 /nfs/dbraw/zinc/67/75/24/663677524.db2.gz LWYWFGVCAHJBJB-JTQLQIEISA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CN=NC1=O)CC2 ZINC001035179706 663677548 /nfs/dbraw/zinc/67/75/48/663677548.db2.gz WFAHLTJTDWGPAR-UHFFFAOYSA-N 1 1 322.369 -1.217 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035185492 663677811 /nfs/dbraw/zinc/67/78/11/663677811.db2.gz ASHRNZWUAGKNPI-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC3(CC[N@@H+](CC(N)=O)C3)CC2)NC1=O ZINC001035212610 663677996 /nfs/dbraw/zinc/67/79/96/663677996.db2.gz VUJHPPINLQRNBC-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035215379 663678136 /nfs/dbraw/zinc/67/81/36/663678136.db2.gz MSOBYFJAIJDLIW-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)CCn1cnnn1)CC2 ZINC001035241676 663678236 /nfs/dbraw/zinc/67/82/36/663678236.db2.gz MWIGOWVONCTIHQ-UHFFFAOYSA-N 1 1 321.385 -1.137 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325797 663679195 /nfs/dbraw/zinc/67/91/95/663679195.db2.gz CRXWMANBKOSWHA-GHMZBOCLSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325797 663679197 /nfs/dbraw/zinc/67/91/97/663679197.db2.gz CRXWMANBKOSWHA-GHMZBOCLSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035326531 663679282 /nfs/dbraw/zinc/67/92/82/663679282.db2.gz GXMQIGMSPOBOLU-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035326531 663679283 /nfs/dbraw/zinc/67/92/83/663679283.db2.gz GXMQIGMSPOBOLU-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCN1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035325780 663679285 /nfs/dbraw/zinc/67/92/85/663679285.db2.gz CKXQCULKIGLNDE-OLZOCXBDSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035325780 663679286 /nfs/dbraw/zinc/67/92/86/663679286.db2.gz CKXQCULKIGLNDE-OLZOCXBDSA-N 1 1 301.387 -1.220 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035329105 663679369 /nfs/dbraw/zinc/67/93/69/663679369.db2.gz ZMNZOTPLMYGIDR-NEPJUHHUSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035329105 663679371 /nfs/dbraw/zinc/67/93/71/663679371.db2.gz ZMNZOTPLMYGIDR-NEPJUHHUSA-N 1 1 314.386 -2.120 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325803 663679496 /nfs/dbraw/zinc/67/94/96/663679496.db2.gz CRXWMANBKOSWHA-QWRGUYRKSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325803 663679497 /nfs/dbraw/zinc/67/94/97/663679497.db2.gz CRXWMANBKOSWHA-QWRGUYRKSA-N 1 1 300.359 -2.381 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035371668 663679971 /nfs/dbraw/zinc/67/99/71/663679971.db2.gz HIVRYYUWGVOHBR-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035371672 663680043 /nfs/dbraw/zinc/68/00/43/663680043.db2.gz HIVRYYUWGVOHBR-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035423026 663681405 /nfs/dbraw/zinc/68/14/05/663681405.db2.gz KRQPTOAULCKMLW-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035423026 663681407 /nfs/dbraw/zinc/68/14/07/663681407.db2.gz KRQPTOAULCKMLW-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035423025 663681511 /nfs/dbraw/zinc/68/15/11/663681511.db2.gz KRQPTOAULCKMLW-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035423025 663681512 /nfs/dbraw/zinc/68/15/12/663681512.db2.gz KRQPTOAULCKMLW-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035404216 663681897 /nfs/dbraw/zinc/68/18/97/663681897.db2.gz MFBDHYBTSUQDHS-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035404216 663681899 /nfs/dbraw/zinc/68/18/99/663681899.db2.gz MFBDHYBTSUQDHS-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035435332 663682867 /nfs/dbraw/zinc/68/28/67/663682867.db2.gz KZHGKEKJECQHKG-GFCCVEGCSA-N 1 1 324.381 -1.063 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035435332 663682870 /nfs/dbraw/zinc/68/28/70/663682870.db2.gz KZHGKEKJECQHKG-GFCCVEGCSA-N 1 1 324.381 -1.063 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443520 663683305 /nfs/dbraw/zinc/68/33/05/663683305.db2.gz DQYSHGYHVSYBHX-ZYHUDNBSSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443520 663683306 /nfs/dbraw/zinc/68/33/06/663683306.db2.gz DQYSHGYHVSYBHX-ZYHUDNBSSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035536566 663686030 /nfs/dbraw/zinc/68/60/30/663686030.db2.gz ZXCGYAVZCFXOIE-ZJUUUORDSA-N 1 1 314.342 -2.216 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035536566 663686031 /nfs/dbraw/zinc/68/60/31/663686031.db2.gz ZXCGYAVZCFXOIE-ZJUUUORDSA-N 1 1 314.342 -2.216 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)c1 ZINC001035557460 663686831 /nfs/dbraw/zinc/68/68/31/663686831.db2.gz FKDJZQLZDPMIIX-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)c1 ZINC001035557460 663686832 /nfs/dbraw/zinc/68/68/32/663686832.db2.gz FKDJZQLZDPMIIX-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)ccc1=O ZINC001035598549 663687442 /nfs/dbraw/zinc/68/74/42/663687442.db2.gz ZBRGJTGFTSNRIJ-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)ccc1=O ZINC001035598549 663687444 /nfs/dbraw/zinc/68/74/44/663687444.db2.gz ZBRGJTGFTSNRIJ-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620969 663688251 /nfs/dbraw/zinc/68/82/51/663688251.db2.gz JSQNSUUJCGOKJP-JQWIXIFHSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620969 663688253 /nfs/dbraw/zinc/68/82/53/663688253.db2.gz JSQNSUUJCGOKJP-JQWIXIFHSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)CN1CCO[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001035589288 663688345 /nfs/dbraw/zinc/68/83/45/663688345.db2.gz KFDDGVPMIIDXAE-DOMZBBRYSA-N 1 1 310.398 -1.225 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611363 663688719 /nfs/dbraw/zinc/68/87/19/663688719.db2.gz SLWBHYBLLZWHFU-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611363 663688721 /nfs/dbraw/zinc/68/87/21/663688721.db2.gz SLWBHYBLLZWHFU-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO CCCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611383 663688733 /nfs/dbraw/zinc/68/87/33/663688733.db2.gz BQYQRDKSQXHXPW-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CCCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611383 663688735 /nfs/dbraw/zinc/68/87/35/663688735.db2.gz BQYQRDKSQXHXPW-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035614231 663688951 /nfs/dbraw/zinc/68/89/51/663688951.db2.gz PAKHAUUBRYAKNX-WDEREUQCSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035614231 663688953 /nfs/dbraw/zinc/68/89/53/663688953.db2.gz PAKHAUUBRYAKNX-WDEREUQCSA-N 1 1 321.399 -2.123 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035612056 663689112 /nfs/dbraw/zinc/68/91/12/663689112.db2.gz PVPMCULSKPXSQP-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035612056 663689113 /nfs/dbraw/zinc/68/91/13/663689113.db2.gz PVPMCULSKPXSQP-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035614230 663689211 /nfs/dbraw/zinc/68/92/11/663689211.db2.gz PAKHAUUBRYAKNX-QWRGUYRKSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035614230 663689213 /nfs/dbraw/zinc/68/92/13/663689213.db2.gz PAKHAUUBRYAKNX-QWRGUYRKSA-N 1 1 321.399 -2.123 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035612188 663689249 /nfs/dbraw/zinc/68/92/49/663689249.db2.gz ADRXSDWCJVVFDN-QWRGUYRKSA-N 1 1 305.400 -1.097 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035612188 663689253 /nfs/dbraw/zinc/68/92/53/663689253.db2.gz ADRXSDWCJVVFDN-QWRGUYRKSA-N 1 1 305.400 -1.097 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)c1 ZINC001035612700 663689342 /nfs/dbraw/zinc/68/93/42/663689342.db2.gz CXVYNWLCYATUSD-ZDUSSCGKSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)c1 ZINC001035612700 663689343 /nfs/dbraw/zinc/68/93/43/663689343.db2.gz CXVYNWLCYATUSD-ZDUSSCGKSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)CC(=O)N1CCC2(C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035672030 663689642 /nfs/dbraw/zinc/68/96/42/663689642.db2.gz CQKNZEXNAHXVOX-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615454 663689680 /nfs/dbraw/zinc/68/96/80/663689680.db2.gz ZKAZOBSZQZDBPH-MNOVXSKESA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCF)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615454 663689681 /nfs/dbraw/zinc/68/96/81/663689681.db2.gz ZKAZOBSZQZDBPH-MNOVXSKESA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(Cn1ncnn1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035707145 663690046 /nfs/dbraw/zinc/69/00/46/663690046.db2.gz VVHCLZMIOOPRNM-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO NC(=O)C(=O)N1CCC2(C[NH+](CC(=O)N3CCOCC3)C2)CC1 ZINC001035780537 663690147 /nfs/dbraw/zinc/69/01/47/663690147.db2.gz IVULSOOEZZJGBI-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO NC(=O)C(=O)N1CCC2(C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035781117 663690207 /nfs/dbraw/zinc/69/02/07/663690207.db2.gz NYSRHTJISHIWBJ-VIFPVBQESA-N 1 1 308.338 -1.799 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035779958 663690279 /nfs/dbraw/zinc/69/02/79/663690279.db2.gz UNFYGOZLSDJNLF-VHSXEESVSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)C(=O)N1CCC2(C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035781116 663690331 /nfs/dbraw/zinc/69/03/31/663690331.db2.gz NYSRHTJISHIWBJ-SECBINFHSA-N 1 1 308.338 -1.799 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782264 663690704 /nfs/dbraw/zinc/69/07/04/663690704.db2.gz PDNMUKPFKBZPPD-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035782759 663690709 /nfs/dbraw/zinc/69/07/09/663690709.db2.gz SBTJLJXHUAVVNK-MNOVXSKESA-N 1 1 321.381 -1.519 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036018654 663691037 /nfs/dbraw/zinc/69/10/37/663691037.db2.gz AFTHOOJUKPTLMI-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036020842 663691040 /nfs/dbraw/zinc/69/10/40/663691040.db2.gz KZTKAGOWRBMWAV-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001035913954 663691054 /nfs/dbraw/zinc/69/10/54/663691054.db2.gz VQAAKUCBJDDQQR-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036019286 663691183 /nfs/dbraw/zinc/69/11/83/663691183.db2.gz FOAKFQILGWBDDG-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001035913952 663691210 /nfs/dbraw/zinc/69/12/10/663691210.db2.gz VQAAKUCBJDDQQR-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036092721 663691665 /nfs/dbraw/zinc/69/16/65/663691665.db2.gz WHPGXDPUOIPDOW-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036164934 663692041 /nfs/dbraw/zinc/69/20/41/663692041.db2.gz ZZBXGSRPTFMWLV-VHSXEESVSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036284835 663692189 /nfs/dbraw/zinc/69/21/89/663692189.db2.gz HHNYRHNGONOJAH-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036226562 663692377 /nfs/dbraw/zinc/69/23/77/663692377.db2.gz XPBUKRAZHQGGCB-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001036371534 663692809 /nfs/dbraw/zinc/69/28/09/663692809.db2.gz SGIUQKPQXJYAPF-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036610855 663692925 /nfs/dbraw/zinc/69/29/25/663692925.db2.gz VLXZDIPFWTXERB-CHWSQXEVSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812209 663693007 /nfs/dbraw/zinc/69/30/07/663693007.db2.gz QVNDVZFLHATMOK-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812209 663693009 /nfs/dbraw/zinc/69/30/09/663693009.db2.gz QVNDVZFLHATMOK-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000922910874 663693209 /nfs/dbraw/zinc/69/32/09/663693209.db2.gz TVRZKKHGLWXZCX-GHMZBOCLSA-N 1 1 317.415 -1.376 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001005808873 663693219 /nfs/dbraw/zinc/69/32/19/663693219.db2.gz CRFXJWCRNCKUMY-KOLCDFICSA-N 1 1 321.385 -1.119 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812214 663693228 /nfs/dbraw/zinc/69/32/28/663693228.db2.gz QVNDVZFLHATMOK-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812214 663693229 /nfs/dbraw/zinc/69/32/29/663693229.db2.gz QVNDVZFLHATMOK-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001005824640 663693586 /nfs/dbraw/zinc/69/35/86/663693586.db2.gz CFYQZIUAJOTEOP-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001005816562 663693748 /nfs/dbraw/zinc/69/37/48/663693748.db2.gz DEQRTCLXJFYVNY-MWLCHTKSSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005824628 663693794 /nfs/dbraw/zinc/69/37/94/663693794.db2.gz BVEMFQNDZGSVON-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001005839822 663694019 /nfs/dbraw/zinc/69/40/19/663694019.db2.gz GJDVTPVNIQCQOB-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nc1=O ZINC001036672442 663694167 /nfs/dbraw/zinc/69/41/67/663694167.db2.gz AOPXHAFPKWAJMC-ZJUUUORDSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nc1=O ZINC001036672442 663694169 /nfs/dbraw/zinc/69/41/69/663694169.db2.gz AOPXHAFPKWAJMC-ZJUUUORDSA-N 1 1 322.369 -1.593 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849106 663694199 /nfs/dbraw/zinc/69/41/99/663694199.db2.gz CPTNZVFJPFVHBJ-BXKDBHETSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849106 663694201 /nfs/dbraw/zinc/69/42/01/663694201.db2.gz CPTNZVFJPFVHBJ-BXKDBHETSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858669 663694348 /nfs/dbraw/zinc/69/43/48/663694348.db2.gz YCGPMBOUTNKOOL-CABZTGNLSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858669 663694349 /nfs/dbraw/zinc/69/43/49/663694349.db2.gz YCGPMBOUTNKOOL-CABZTGNLSA-N 1 1 323.353 -1.023 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005906491 663694567 /nfs/dbraw/zinc/69/45/67/663694567.db2.gz NYTOTRFKXFFHHY-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005913608 663694649 /nfs/dbraw/zinc/69/46/49/663694649.db2.gz NGVCCOGKWKPKOT-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)CC[C@H]21 ZINC001036691703 663694998 /nfs/dbraw/zinc/69/49/98/663694998.db2.gz UGZOKOPMOTWQDU-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)CC[C@H]21 ZINC001036692157 663695430 /nfs/dbraw/zinc/69/54/30/663695430.db2.gz BJQYBZQCDKKAPM-VHSXEESVSA-N 1 1 308.342 -1.608 20 0 DAADMO COC(=O)CCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436619 663696881 /nfs/dbraw/zinc/69/68/81/663696881.db2.gz IQGGZEZDUZKWNS-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)OC[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436408 663697130 /nfs/dbraw/zinc/69/71/30/663697130.db2.gz FKKMTWFDWOUESA-GFCCVEGCSA-N 1 1 321.443 -1.309 20 0 DAADMO O=S(=O)(C1CN(CCN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923433248 663697150 /nfs/dbraw/zinc/69/71/50/663697150.db2.gz DJFOXPDDQUKRTD-UHFFFAOYSA-N 1 1 318.443 -1.762 20 0 DAADMO CCOCC[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436459 663697160 /nfs/dbraw/zinc/69/71/60/663697160.db2.gz GLWCMQDCLIHAOU-LBPRGKRZSA-N 1 1 321.443 -1.307 20 0 DAADMO Cn1nnnc1CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436508 663697178 /nfs/dbraw/zinc/69/71/78/663697178.db2.gz IKIQIPIFMHXIIY-UHFFFAOYSA-N 1 1 315.403 -2.328 20 0 DAADMO CCOC[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436387 663697315 /nfs/dbraw/zinc/69/73/15/663697315.db2.gz FDYICGKLOMYOHY-LLVKDONJSA-N 1 1 307.416 -1.697 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC001006112376 663697499 /nfs/dbraw/zinc/69/74/99/663697499.db2.gz KLIQZCYDZXIOBO-MNOVXSKESA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC001006112379 663697764 /nfs/dbraw/zinc/69/77/64/663697764.db2.gz KLIQZCYDZXIOBO-WDEREUQCSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000923471560 663697803 /nfs/dbraw/zinc/69/78/03/663697803.db2.gz QXFXUMVGMZXTBE-KOLCDFICSA-N 1 1 319.431 -1.131 20 0 DAADMO O=C(c1ccn[nH]1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918528 663698102 /nfs/dbraw/zinc/69/81/02/663698102.db2.gz LOIYHYHRVJKVPI-SNVBAGLBSA-N 1 1 307.354 -1.145 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001006135220 663698167 /nfs/dbraw/zinc/69/81/67/663698167.db2.gz CBLQDTNHIRMLTR-UHFFFAOYSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC001006130927 663698215 /nfs/dbraw/zinc/69/82/15/663698215.db2.gz XOXNCCJRGRLVFQ-WDEREUQCSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)C[NH+]1CCOCC1 ZINC000737983922 663791233 /nfs/dbraw/zinc/79/12/33/663791233.db2.gz KVDUKIOOFMLGEU-NSHDSACASA-N 1 1 324.381 -1.218 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000804899696 663797032 /nfs/dbraw/zinc/79/70/32/663797032.db2.gz SJWAMHPODYRTFM-FIKIJFGZSA-N 1 1 319.427 -1.292 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000804899696 663797033 /nfs/dbraw/zinc/79/70/33/663797033.db2.gz SJWAMHPODYRTFM-FIKIJFGZSA-N 1 1 319.427 -1.292 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000804899698 663797039 /nfs/dbraw/zinc/79/70/39/663797039.db2.gz SJWAMHPODYRTFM-WIUDPPPLSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nonc2C)C1 ZINC000804900135 663797443 /nfs/dbraw/zinc/79/74/43/663797443.db2.gz ONOVZEDVVIXCFF-JTQLQIEISA-N 1 1 311.342 -1.169 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000804899699 663797525 /nfs/dbraw/zinc/79/75/25/663797525.db2.gz SJWAMHPODYRTFM-WSVYEEACSA-N 1 1 319.427 -1.292 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000804899699 663797533 /nfs/dbraw/zinc/79/75/33/663797533.db2.gz SJWAMHPODYRTFM-WSVYEEACSA-N 1 1 319.427 -1.292 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000746298158 663798469 /nfs/dbraw/zinc/79/84/69/663798469.db2.gz ARBSBRQXRVITSL-LLVKDONJSA-N 1 1 308.400 -1.116 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000746298158 663798470 /nfs/dbraw/zinc/79/84/70/663798470.db2.gz ARBSBRQXRVITSL-LLVKDONJSA-N 1 1 308.400 -1.116 20 0 DAADMO COCCO[N-]C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000748772874 663800763 /nfs/dbraw/zinc/80/07/63/663800763.db2.gz SHHZYPSGUBOZLP-LBPRGKRZSA-N 1 1 315.370 -1.139 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000750838963 663801651 /nfs/dbraw/zinc/80/16/51/663801651.db2.gz UZSYEVKWUUYDFX-UTUOFQBUSA-N 1 1 315.370 -1.287 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000750838963 663801654 /nfs/dbraw/zinc/80/16/54/663801654.db2.gz UZSYEVKWUUYDFX-UTUOFQBUSA-N 1 1 315.370 -1.287 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000750518061 663801788 /nfs/dbraw/zinc/80/17/88/663801788.db2.gz QTEMCPOXZSNROT-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000750518063 663801922 /nfs/dbraw/zinc/80/19/22/663801922.db2.gz QTEMCPOXZSNROT-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)OCCC[NH+]1CCOCC1 ZINC000750880027 663801949 /nfs/dbraw/zinc/80/19/49/663801949.db2.gz JRYAYOTXMFQCDV-UHFFFAOYSA-N 1 1 301.343 -1.496 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750864787 663802078 /nfs/dbraw/zinc/80/20/78/663802078.db2.gz OLZPILNGJDIFMY-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000761072531 663809915 /nfs/dbraw/zinc/80/99/15/663809915.db2.gz TXIMRZMRAGVQDX-SECBINFHSA-N 1 1 309.370 -1.515 20 0 DAADMO C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000761072531 663809917 /nfs/dbraw/zinc/80/99/17/663809917.db2.gz TXIMRZMRAGVQDX-SECBINFHSA-N 1 1 309.370 -1.515 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770004677 663816653 /nfs/dbraw/zinc/81/66/53/663816653.db2.gz KYNUKBFEUIWERO-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770004677 663816655 /nfs/dbraw/zinc/81/66/55/663816655.db2.gz KYNUKBFEUIWERO-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000770237155 663816762 /nfs/dbraw/zinc/81/67/62/663816762.db2.gz SJBMFGWIFXVFLQ-KOLCDFICSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000770237155 663816764 /nfs/dbraw/zinc/81/67/64/663816764.db2.gz SJBMFGWIFXVFLQ-KOLCDFICSA-N 1 1 310.354 -1.467 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770004676 663816913 /nfs/dbraw/zinc/81/69/13/663816913.db2.gz KYNUKBFEUIWERO-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770004676 663816914 /nfs/dbraw/zinc/81/69/14/663816914.db2.gz KYNUKBFEUIWERO-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000771034563 663817490 /nfs/dbraw/zinc/81/74/90/663817490.db2.gz QSMNVBKQPARFHA-NSHDSACASA-N 1 1 322.365 -1.369 20 0 DAADMO Cn1cc([C@@H](O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000773953497 663820283 /nfs/dbraw/zinc/82/02/83/663820283.db2.gz OFUBBNNJYJZTCG-CYBMUJFWSA-N 1 1 309.370 -1.266 20 0 DAADMO CC1(C)CN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[N@H+]1CCO ZINC000781682268 663825699 /nfs/dbraw/zinc/82/56/99/663825699.db2.gz MEKJSEYXZSRBPN-UHFFFAOYSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000782586571 663826475 /nfs/dbraw/zinc/82/64/75/663826475.db2.gz OJCXDUBFYSWSGP-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=S)NCCNS(C)(=O)=O)C[C@H]2C1 ZINC000782400509 663826616 /nfs/dbraw/zinc/82/66/16/663826616.db2.gz HTNLJCQRAIEVJT-AOOOYVTPSA-N 1 1 306.457 -1.097 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000782965661 663827155 /nfs/dbraw/zinc/82/71/55/663827155.db2.gz HMXHQCKFTBQDQO-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788384462 663831492 /nfs/dbraw/zinc/83/14/92/663831492.db2.gz KLJUJKMGNRITPP-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788384462 663831494 /nfs/dbraw/zinc/83/14/94/663831494.db2.gz KLJUJKMGNRITPP-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000788391073 663831582 /nfs/dbraw/zinc/83/15/82/663831582.db2.gz GFXFIRSVDMXWTA-JTQLQIEISA-N 1 1 305.400 -1.300 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCc1cnccn1 ZINC000793486229 663835180 /nfs/dbraw/zinc/83/51/80/663835180.db2.gz AIPUPBPEYHKRJX-UHFFFAOYSA-N 1 1 309.370 -1.170 20 0 DAADMO O=C(NCCn1cccn1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793745013 663835429 /nfs/dbraw/zinc/83/54/29/663835429.db2.gz JGGHRUMZRQELBD-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000793938822 663836220 /nfs/dbraw/zinc/83/62/20/663836220.db2.gz UIVSUMFEZBFCCB-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000793938822 663836223 /nfs/dbraw/zinc/83/62/23/663836223.db2.gz UIVSUMFEZBFCCB-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795086712 663837606 /nfs/dbraw/zinc/83/76/06/663837606.db2.gz QZGXKZILIWVVOC-VHSXEESVSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795086712 663837609 /nfs/dbraw/zinc/83/76/09/663837609.db2.gz QZGXKZILIWVVOC-VHSXEESVSA-N 1 1 301.372 -1.043 20 0 DAADMO CON(C)C(=O)CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000799122400 663839532 /nfs/dbraw/zinc/83/95/32/663839532.db2.gz IKCSVZPTBGFSNO-JTQLQIEISA-N 1 1 308.404 -1.099 20 0 DAADMO CON(C)C(=O)CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000799122401 663839638 /nfs/dbraw/zinc/83/96/38/663839638.db2.gz IKCSVZPTBGFSNO-SNVBAGLBSA-N 1 1 308.404 -1.099 20 0 DAADMO C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)S(N)(=O)=O ZINC000799919535 663840100 /nfs/dbraw/zinc/84/01/00/663840100.db2.gz HDRSLGTUIRMOJI-GMTAPVOTSA-N 1 1 320.415 -1.174 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCO)C2)c1=O ZINC001036752656 663841214 /nfs/dbraw/zinc/84/12/14/663841214.db2.gz COPOFYBZFYNUCC-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036716420 663841345 /nfs/dbraw/zinc/84/13/45/663841345.db2.gz FUCXTLSTKOTRKV-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)CC1=O ZINC001036752066 663841403 /nfs/dbraw/zinc/84/14/03/663841403.db2.gz QVNVUKFYEBIYSB-ZIAGYGMSSA-N 1 1 324.425 -1.325 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)CC[C@H]21 ZINC001036727462 663841471 /nfs/dbraw/zinc/84/14/71/663841471.db2.gz DMGHNOZQQQUOQL-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036718743 663841481 /nfs/dbraw/zinc/84/14/81/663841481.db2.gz ROSWJGWXNJAQBL-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)CC[C@@H]21 ZINC001036727459 663841656 /nfs/dbraw/zinc/84/16/56/663841656.db2.gz DMGHNOZQQQUOQL-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3nccn3)CC[C@@H]21 ZINC001036727461 663841668 /nfs/dbraw/zinc/84/16/68/663841668.db2.gz DMGHNOZQQQUOQL-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)c1=O ZINC001036753293 663841969 /nfs/dbraw/zinc/84/19/69/663841969.db2.gz OBWKQVMPSLKCFG-QWRGUYRKSA-N 1 1 322.369 -2.010 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036863166 663842609 /nfs/dbraw/zinc/84/26/09/663842609.db2.gz BVNXUYLDPYPKRI-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@@H]21 ZINC001036802992 663842628 /nfs/dbraw/zinc/84/26/28/663842628.db2.gz MOCCOMCXQQJVSE-KOLCDFICSA-N 1 1 305.338 -1.208 20 0 DAADMO CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805751 663842743 /nfs/dbraw/zinc/84/27/43/663842743.db2.gz FBJDWXYVFRWQBA-GHMZBOCLSA-N 1 1 321.385 -1.009 20 0 DAADMO CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805751 663842745 /nfs/dbraw/zinc/84/27/45/663842745.db2.gz FBJDWXYVFRWQBA-GHMZBOCLSA-N 1 1 321.385 -1.009 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)C1=O ZINC001036868878 663842867 /nfs/dbraw/zinc/84/28/67/663842867.db2.gz UYRZHMSCULQTDY-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO CCCn1nnnc1C[N@@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805754 663842893 /nfs/dbraw/zinc/84/28/93/663842893.db2.gz FBJDWXYVFRWQBA-WDEREUQCSA-N 1 1 321.385 -1.009 20 0 DAADMO CCCn1nnnc1C[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805754 663842894 /nfs/dbraw/zinc/84/28/94/663842894.db2.gz FBJDWXYVFRWQBA-WDEREUQCSA-N 1 1 321.385 -1.009 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036863164 663842968 /nfs/dbraw/zinc/84/29/68/663842968.db2.gz BVNXUYLDPYPKRI-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@H]21 ZINC001036888123 663843593 /nfs/dbraw/zinc/84/35/93/663843593.db2.gz DLJDRYPOVMPIEH-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)c(=O)n1C ZINC001036882909 663843612 /nfs/dbraw/zinc/84/36/12/663843612.db2.gz UDGDJUYRDKUJKS-QWHCGFSZSA-N 1 1 323.397 -1.195 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)ccc1=O ZINC001036886726 663843653 /nfs/dbraw/zinc/84/36/53/663843653.db2.gz GPYZQIXRVPZJKT-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)ccc1=O ZINC001036886725 663843712 /nfs/dbraw/zinc/84/37/12/663843712.db2.gz GPYZQIXRVPZJKT-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[S@@](C)=O)C[NH+]1CCOCC1 ZINC000804023417 663844339 /nfs/dbraw/zinc/84/43/39/663844339.db2.gz JNSHJNZJHMTYTM-WIUDPPPLSA-N 1 1 319.427 -1.434 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)C1=O ZINC001036888765 663844402 /nfs/dbraw/zinc/84/44/02/663844402.db2.gz OVLJPLNQVVMOCE-RYUDHWBXSA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)nn1 ZINC001036903088 663844413 /nfs/dbraw/zinc/84/44/13/663844413.db2.gz VIOOGRVNMGAVEI-JQWIXIFHSA-N 1 1 322.369 -1.708 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]21 ZINC001036888126 663844419 /nfs/dbraw/zinc/84/44/19/663844419.db2.gz DLJDRYPOVMPIEH-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]1CO ZINC000804053002 663844433 /nfs/dbraw/zinc/84/44/33/663844433.db2.gz GUOUKDPBNLHKOQ-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N(CCO)C1CC1 ZINC000804059621 663844742 /nfs/dbraw/zinc/84/47/42/663844742.db2.gz MOCYLAHXIUEHMW-OLZOCXBDSA-N 1 1 311.382 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000804084339 663844748 /nfs/dbraw/zinc/84/47/48/663844748.db2.gz SPLOXVRAQULPCR-UHFFFAOYSA-N 1 1 315.370 -1.344 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057565 663844851 /nfs/dbraw/zinc/84/48/51/663844851.db2.gz ATWLROANLCEJLF-MNOVXSKESA-N 1 1 323.353 -1.026 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N(CCO)C1CC1 ZINC000804059623 663845043 /nfs/dbraw/zinc/84/50/43/663845043.db2.gz MOCYLAHXIUEHMW-STQMWFEESA-N 1 1 311.382 -1.051 20 0 DAADMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000804353093 663845095 /nfs/dbraw/zinc/84/50/95/663845095.db2.gz ULCIJWILHLOISW-WSVYEEACSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[S@@](C)=O ZINC000804353093 663845097 /nfs/dbraw/zinc/84/50/97/663845097.db2.gz ULCIJWILHLOISW-WSVYEEACSA-N 1 1 319.427 -1.292 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNC(=O)C1 ZINC000804056569 663845192 /nfs/dbraw/zinc/84/51/92/663845192.db2.gz RUQVGXOIGUEITG-MNOVXSKESA-N 1 1 310.354 -2.076 20 0 DAADMO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000807283825 663845976 /nfs/dbraw/zinc/84/59/76/663845976.db2.gz KUHCXPFARSQVGN-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000809441353 663847914 /nfs/dbraw/zinc/84/79/14/663847914.db2.gz WCXZFGPVHVJQQB-KOLCDFICSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441353 663847917 /nfs/dbraw/zinc/84/79/17/663847917.db2.gz WCXZFGPVHVJQQB-KOLCDFICSA-N 1 1 311.342 -1.170 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1=O ZINC000815152670 663851257 /nfs/dbraw/zinc/85/12/57/663851257.db2.gz YAXAUQMPGHZWLT-VXGBXAGGSA-N 1 1 309.370 -1.049 20 0 DAADMO Cn1ncc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000815124090 663851542 /nfs/dbraw/zinc/85/15/42/663851542.db2.gz VKYLSQASJRYQRG-UHFFFAOYSA-N 1 1 302.404 -1.518 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NCC(=O)N(C)OC)CC[N@@H+](C)C1 ZINC000817803903 663853818 /nfs/dbraw/zinc/85/38/18/663853818.db2.gz KVNHJLWCQWWZSM-SNVBAGLBSA-N 1 1 316.358 -1.248 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H](CO)CN1CCOCC1 ZINC000820010951 663856443 /nfs/dbraw/zinc/85/64/43/663856443.db2.gz OIKBJPKYEZQAKP-ZDUSSCGKSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000820263651 663857118 /nfs/dbraw/zinc/85/71/18/663857118.db2.gz GRHZYUHDALUZJY-HBNTYKKESA-N 1 1 307.358 -1.660 20 0 DAADMO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000820272557 663857476 /nfs/dbraw/zinc/85/74/76/663857476.db2.gz MXHAHDUKXKDCPV-KXUCPTDWSA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000820272557 663857478 /nfs/dbraw/zinc/85/74/78/663857478.db2.gz MXHAHDUKXKDCPV-KXUCPTDWSA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@H]2C1 ZINC000820272559 663857522 /nfs/dbraw/zinc/85/75/22/663857522.db2.gz MXHAHDUKXKDCPV-UTLUCORTSA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@H]2C1 ZINC000820272559 663857524 /nfs/dbraw/zinc/85/75/24/663857524.db2.gz MXHAHDUKXKDCPV-UTLUCORTSA-N 1 1 301.368 -1.938 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000820341541 663857853 /nfs/dbraw/zinc/85/78/53/663857853.db2.gz FMCWPHQBOBKLMC-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822453694 663860980 /nfs/dbraw/zinc/86/09/80/663860980.db2.gz LQURCPBXFFNHFT-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CC[N@@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](C)C1 ZINC000822569681 663861508 /nfs/dbraw/zinc/86/15/08/663861508.db2.gz WIZUNYFZMDZHDH-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CC[N@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](C)C1 ZINC000822569681 663861512 /nfs/dbraw/zinc/86/15/12/663861512.db2.gz WIZUNYFZMDZHDH-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CC[N@@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](C)C1 ZINC000822569682 663861643 /nfs/dbraw/zinc/86/16/43/663861643.db2.gz WIZUNYFZMDZHDH-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CC[N@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@@H](C)C1 ZINC000822569682 663861645 /nfs/dbraw/zinc/86/16/45/663861645.db2.gz WIZUNYFZMDZHDH-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823783248 663862804 /nfs/dbraw/zinc/86/28/04/663862804.db2.gz GSYQQJPAJGZHFE-SDDRHHMPSA-N 1 1 321.385 -1.412 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000824658040 663863028 /nfs/dbraw/zinc/86/30/28/663863028.db2.gz HYJXILZDYUKNDH-UWVGGRQHSA-N 1 1 317.411 -1.111 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000824658040 663863032 /nfs/dbraw/zinc/86/30/32/663863032.db2.gz HYJXILZDYUKNDH-UWVGGRQHSA-N 1 1 317.411 -1.111 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H]1O ZINC000824068631 663863110 /nfs/dbraw/zinc/86/31/10/663863110.db2.gz BNGWDEQULRSQBZ-QWHCGFSZSA-N 1 1 313.398 -1.041 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@H+](C)C1 ZINC000824840521 663863191 /nfs/dbraw/zinc/86/31/91/663863191.db2.gz ASXYYPNGHSGLFQ-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@@H+](C)C1 ZINC000824840521 663863193 /nfs/dbraw/zinc/86/31/93/663863193.db2.gz ASXYYPNGHSGLFQ-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000825297940 663864181 /nfs/dbraw/zinc/86/41/81/663864181.db2.gz HPQLRDHCWWTTQN-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C(=O)NCC(F)F ZINC000825293791 663864360 /nfs/dbraw/zinc/86/43/60/663864360.db2.gz VUICZKKJCCYFQR-UHFFFAOYSA-N 1 1 306.313 -1.400 20 0 DAADMO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000825624710 663864830 /nfs/dbraw/zinc/86/48/30/663864830.db2.gz BVVQNYIINUIJIH-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000825624710 663864832 /nfs/dbraw/zinc/86/48/32/663864832.db2.gz BVVQNYIINUIJIH-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000826119851 663865796 /nfs/dbraw/zinc/86/57/96/663865796.db2.gz VCEREVKJLTZANO-AWEZNQCLSA-N 1 1 308.338 -1.064 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826140189 663866525 /nfs/dbraw/zinc/86/65/25/663866525.db2.gz AJZPNFWMWCHLDW-RISCZKNCSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000826140189 663866526 /nfs/dbraw/zinc/86/65/26/663866526.db2.gz AJZPNFWMWCHLDW-RISCZKNCSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826140190 663866540 /nfs/dbraw/zinc/86/65/40/663866540.db2.gz AJZPNFWMWCHLDW-SMDDNHRTSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826140190 663866542 /nfs/dbraw/zinc/86/65/42/663866542.db2.gz AJZPNFWMWCHLDW-SMDDNHRTSA-N 1 1 313.354 -1.939 20 0 DAADMO C[C@]1(CC(=O)NCC[N@H+]2CC[C@H](O)C2)CCS(=O)(=O)N1 ZINC000827749181 663868573 /nfs/dbraw/zinc/86/85/73/663868573.db2.gz GWWLIAPRUYRNTA-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCN(C2CC2)C1=O ZINC000827578008 663868705 /nfs/dbraw/zinc/86/87/05/663868705.db2.gz QKVSPUKFCVPHDL-SWLSCSKDSA-N 1 1 311.382 -1.146 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828510438 663869793 /nfs/dbraw/zinc/86/97/93/663869793.db2.gz IMSVELFLVZXCSI-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000828510436 663869838 /nfs/dbraw/zinc/86/98/38/663869838.db2.gz IMSVELFLVZXCSI-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000828958247 663870491 /nfs/dbraw/zinc/87/04/91/663870491.db2.gz BIVATKNKZXTXPP-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000829563491 663870882 /nfs/dbraw/zinc/87/08/82/663870882.db2.gz FDPLDAXOVUYQDZ-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000829563490 663871102 /nfs/dbraw/zinc/87/11/02/663871102.db2.gz FDPLDAXOVUYQDZ-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)Cn2nnnc2N1C ZINC000830012832 663871741 /nfs/dbraw/zinc/87/17/41/663871741.db2.gz FOWLTOHHFDWUHW-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)Cn2nnnc2N1C ZINC000830012832 663871743 /nfs/dbraw/zinc/87/17/43/663871743.db2.gz FOWLTOHHFDWUHW-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000834692098 663875656 /nfs/dbraw/zinc/87/56/56/663875656.db2.gz ZQFOCOUCMFXIAA-UTUOFQBUSA-N 1 1 324.381 -1.388 20 0 DAADMO O=C(c1cnsn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842511056 663876883 /nfs/dbraw/zinc/87/68/83/663876883.db2.gz AHZYGSGIHIDZFS-UHFFFAOYSA-N 1 1 317.396 -1.403 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163898 663877141 /nfs/dbraw/zinc/87/71/41/663877141.db2.gz ALCMVLBGMGVJHQ-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163898 663877144 /nfs/dbraw/zinc/87/71/44/663877144.db2.gz ALCMVLBGMGVJHQ-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO CO[C@H](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842513911 663877261 /nfs/dbraw/zinc/87/72/61/663877261.db2.gz RBJAGHKLSICUQR-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163902 663877280 /nfs/dbraw/zinc/87/72/80/663877280.db2.gz ALCMVLBGMGVJHQ-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163902 663877281 /nfs/dbraw/zinc/87/72/81/663877281.db2.gz ALCMVLBGMGVJHQ-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843259927 663878613 /nfs/dbraw/zinc/87/86/13/663878613.db2.gz AXROJMSZAICBLE-SFYZADRCSA-N 1 1 320.296 -1.347 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000843480999 663878960 /nfs/dbraw/zinc/87/89/60/663878960.db2.gz ZRJIGGSYHUAZAO-SNVBAGLBSA-N 1 1 322.383 -1.589 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844022366 663879654 /nfs/dbraw/zinc/87/96/54/663879654.db2.gz ACNWOVRLYKFXEH-PHIMTYICSA-N 1 1 322.431 -1.392 20 0 DAADMO COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]1C ZINC000844021818 663879818 /nfs/dbraw/zinc/87/98/18/663879818.db2.gz WSURORAIOVFLSC-OUAUKWLOSA-N 1 1 302.375 -1.417 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]1C ZINC000844021818 663879821 /nfs/dbraw/zinc/87/98/21/663879821.db2.gz WSURORAIOVFLSC-OUAUKWLOSA-N 1 1 302.375 -1.417 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCS(=O)(=O)N1 ZINC000845344514 663882645 /nfs/dbraw/zinc/88/26/45/663882645.db2.gz XCHKVLDLPSTADI-HBNTYKKESA-N 1 1 303.384 -1.343 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCS(=O)(=O)N1 ZINC000845344515 663882780 /nfs/dbraw/zinc/88/27/80/663882780.db2.gz XCHKVLDLPSTADI-MXWKQRLJSA-N 1 1 303.384 -1.343 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000846277865 663886485 /nfs/dbraw/zinc/88/64/85/663886485.db2.gz JWDBCKXBQBOOJW-PHIMTYICSA-N 1 1 324.385 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC[C@@H]21 ZINC000867426182 663887403 /nfs/dbraw/zinc/88/74/03/663887403.db2.gz KWEPQFRPXQSQDX-WOPDTQHZSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867424995 663887483 /nfs/dbraw/zinc/88/74/83/663887483.db2.gz ZILWUGJOKBPWRT-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO CS(=O)(=O)c1cccc(NC(=O)C[NH2+]C(CO)CO)c1 ZINC000846937668 663888987 /nfs/dbraw/zinc/88/89/87/663888987.db2.gz OIILHBYLGSTKCD-UHFFFAOYSA-N 1 1 302.352 -1.029 20 0 DAADMO Cn1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000847941620 663890942 /nfs/dbraw/zinc/89/09/42/663890942.db2.gz JOEAXLYGGMFCQC-UHFFFAOYSA-N 1 1 318.337 -1.231 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)S(=O)(=O)CCO1 ZINC000848306654 663891911 /nfs/dbraw/zinc/89/19/11/663891911.db2.gz XCZBVOBPFPSMQQ-WDEREUQCSA-N 1 1 316.379 -1.060 20 0 DAADMO [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)=NO1 ZINC000852793459 663898532 /nfs/dbraw/zinc/89/85/32/663898532.db2.gz BJBDOQJPIOCNDI-VXGBXAGGSA-N 1 1 323.397 -1.240 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000859914851 663914005 /nfs/dbraw/zinc/91/40/05/663914005.db2.gz UUCLOTYYKWGEMH-UWVGGRQHSA-N 1 1 319.383 -1.328 20 0 DAADMO NC(=O)C[C@H]1C[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011178 663914228 /nfs/dbraw/zinc/91/42/28/663914228.db2.gz XDDVBUPOPIFHBR-WFASDCNBSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011178 663914240 /nfs/dbraw/zinc/91/42/40/663914240.db2.gz XDDVBUPOPIFHBR-WFASDCNBSA-N 1 1 307.350 -1.064 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1 ZINC000860826628 663916341 /nfs/dbraw/zinc/91/63/41/663916341.db2.gz KPQCQSXCGIYBAN-IUPFNGILSA-N 1 1 310.350 -1.110 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861718735 663918316 /nfs/dbraw/zinc/91/83/16/663918316.db2.gz ZDICQHNNQFEUNM-SRVKXCTJSA-N 1 1 300.355 -1.032 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)c1cnn2c1OCCC2 ZINC000885804650 663919393 /nfs/dbraw/zinc/91/93/93/663919393.db2.gz PRINGGVQNHKUQU-UHFFFAOYSA-N 1 1 304.372 -1.132 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)c1cnn2c1OCCC2 ZINC000885804650 663919399 /nfs/dbraw/zinc/91/93/99/663919399.db2.gz PRINGGVQNHKUQU-UHFFFAOYSA-N 1 1 304.372 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCn2cnc3c2ncnc3N)C1 ZINC000862975359 663923008 /nfs/dbraw/zinc/92/30/08/663923008.db2.gz COXCNRLHSOPXRK-SECBINFHSA-N 1 1 305.342 -1.145 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCn2cnc3c2ncnc3N)C1 ZINC000862975359 663923012 /nfs/dbraw/zinc/92/30/12/663923012.db2.gz COXCNRLHSOPXRK-SECBINFHSA-N 1 1 305.342 -1.145 20 0 DAADMO CS(=O)(=O)NCCNC(=S)NCC[N@H+]1CC[C@H](O)C1 ZINC000863252863 663923593 /nfs/dbraw/zinc/92/35/93/663923593.db2.gz DYGSLSOKGXWPKO-VIFPVBQESA-N 1 1 310.445 -1.934 20 0 DAADMO O[C@@H]1CC[N@@H+](CCNC(=S)NCCN2CCOCC2)C1 ZINC000863236170 663923797 /nfs/dbraw/zinc/92/37/97/663923797.db2.gz IYQDSCFQTQZOBJ-GFCCVEGCSA-N 1 1 302.444 -1.151 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350271 663929204 /nfs/dbraw/zinc/92/92/04/663929204.db2.gz FXEHGPSWSZBPIB-QMTHXVAHSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350271 663929206 /nfs/dbraw/zinc/92/92/06/663929206.db2.gz FXEHGPSWSZBPIB-QMTHXVAHSA-N 1 1 314.338 -1.240 20 0 DAADMO CN1C(=O)[C@H]2C[N@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@H]2C1=O ZINC000864351853 663929279 /nfs/dbraw/zinc/92/92/79/663929279.db2.gz QAZKHRAJEIIINR-AEJSXWLSSA-N 1 1 309.322 -1.957 20 0 DAADMO COCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864352149 663929357 /nfs/dbraw/zinc/92/93/57/663929357.db2.gz SNGQNNZIFRTTPV-KXUCPTDWSA-N 1 1 309.322 -1.693 20 0 DAADMO CCNS(=O)(=O)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866761427 663931381 /nfs/dbraw/zinc/93/13/81/663931381.db2.gz QMACXSWCSAHIGA-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866675868 663932060 /nfs/dbraw/zinc/93/20/60/663932060.db2.gz RVDXRGRMFQLSSU-UWVGGRQHSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866675868 663932061 /nfs/dbraw/zinc/93/20/61/663932061.db2.gz RVDXRGRMFQLSSU-UWVGGRQHSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1nnnc1CC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000866661395 663932079 /nfs/dbraw/zinc/93/20/79/663932079.db2.gz ITNUSZGMFIBONH-GFCCVEGCSA-N 1 1 307.402 -1.104 20 0 DAADMO Cn1nnnc1CC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000866661395 663932081 /nfs/dbraw/zinc/93/20/81/663932081.db2.gz ITNUSZGMFIBONH-GFCCVEGCSA-N 1 1 307.402 -1.104 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CCC1(C)C ZINC000867742049 663932581 /nfs/dbraw/zinc/93/25/81/663932581.db2.gz XZXBAEZMBOUURU-NWDGAFQWSA-N 1 1 313.398 -1.259 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CCC1(C)C ZINC000867742048 663932831 /nfs/dbraw/zinc/93/28/31/663932831.db2.gz XZXBAEZMBOUURU-NEPJUHHUSA-N 1 1 313.398 -1.259 20 0 DAADMO CN1C(=O)[C@H]2CN(S(=O)(=O)CC3([NH+](C)C)CC3)C[C@H]2C1=O ZINC000867765684 663932849 /nfs/dbraw/zinc/93/28/49/663932849.db2.gz SZWHLXUWQRGACQ-AOOOYVTPSA-N 1 1 315.395 -1.043 20 0 DAADMO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000868419066 663934292 /nfs/dbraw/zinc/93/42/92/663934292.db2.gz UJKSOSVKVFCCNB-RFQIPJPRSA-N 1 1 322.409 -1.383 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000869776304 663935777 /nfs/dbraw/zinc/93/57/77/663935777.db2.gz BPGKBQOSHPEGJS-VHSXEESVSA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1=O ZINC000869783696 663936563 /nfs/dbraw/zinc/93/65/63/663936563.db2.gz KRVYYPFAWSPSCF-NSHDSACASA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000923619685 663936766 /nfs/dbraw/zinc/93/67/66/663936766.db2.gz KNWREVSLGWBTOM-CYBMUJFWSA-N 1 1 319.475 -1.391 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c(=O)n1C ZINC000869776561 663936873 /nfs/dbraw/zinc/93/68/73/663936873.db2.gz NEWLJMZYJNOCIG-NSHDSACASA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869783102 663936967 /nfs/dbraw/zinc/93/69/67/663936967.db2.gz ZFVCIZFGGDGGFU-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1=O ZINC000869778355 663937097 /nfs/dbraw/zinc/93/70/97/663937097.db2.gz HSYWKPFKOHZUDS-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO O=S(=O)(N1CC[C@@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923620400 663937328 /nfs/dbraw/zinc/93/73/28/663937328.db2.gz IIVLODLZASYMLB-ZDUSSCGKSA-N 1 1 318.443 -1.210 20 0 DAADMO COC1CCN(CCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923624019 663937721 /nfs/dbraw/zinc/93/77/21/663937721.db2.gz BYZFKQISHGUHTJ-UHFFFAOYSA-N 1 1 306.432 -1.163 20 0 DAADMO CNC(=O)NC[C@H]1COCCN1C(=O)CC[NH+]1CCOCC1 ZINC000871218973 663938248 /nfs/dbraw/zinc/93/82/48/663938248.db2.gz HNMPJUYCVMCTOK-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO O=C(NC[C@]12COC(=O)N1CCOC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000871409855 663938542 /nfs/dbraw/zinc/93/85/42/663938542.db2.gz UEDZVAGMBVBLSJ-WFASDCNBSA-N 1 1 324.381 -1.286 20 0 DAADMO O=C(NC[C@]12COC(=O)N1CCOC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000871409852 663938636 /nfs/dbraw/zinc/93/86/36/663938636.db2.gz UEDZVAGMBVBLSJ-DOMZBBRYSA-N 1 1 324.381 -1.286 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@H]2C1=O ZINC000871528395 663938676 /nfs/dbraw/zinc/93/86/76/663938676.db2.gz KOGACPQLSDVZMJ-GRYCIOLGSA-N 1 1 306.366 -1.551 20 0 DAADMO C[N@H+](C[C@@H](O)CNC[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232933 663939409 /nfs/dbraw/zinc/93/94/09/663939409.db2.gz JUDYVAAPSHPDQH-ZFWWWQNUSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@@H+](C[C@@H](O)CNC[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232933 663939415 /nfs/dbraw/zinc/93/94/15/663939415.db2.gz JUDYVAAPSHPDQH-ZFWWWQNUSA-N 1 1 313.398 -1.341 20 0 DAADMO C[C@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CNCCO1 ZINC000872302093 663939532 /nfs/dbraw/zinc/93/95/32/663939532.db2.gz ODTIWRUXGDXNTO-OZTPJHRESA-N 1 1 324.381 -1.242 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000875237115 663942799 /nfs/dbraw/zinc/94/27/99/663942799.db2.gz IAGUWMOWVXZNFK-GHMZBOCLSA-N 1 1 313.354 -1.221 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CC(O)(C(=O)OC)C2)C1 ZINC000875309256 663943876 /nfs/dbraw/zinc/94/38/76/663943876.db2.gz VMNGWPILBYRBOD-JTQLQIEISA-N 1 1 301.343 -1.364 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875545694 663944073 /nfs/dbraw/zinc/94/40/73/663944073.db2.gz FISCPFJKMMOOHN-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CNCCO1 ZINC000876526198 663945545 /nfs/dbraw/zinc/94/55/45/663945545.db2.gz QOWRRFOILLQUFA-CQSZACIVSA-N 1 1 300.403 -1.645 20 0 DAADMO COC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CNCCO1 ZINC000876512415 663945904 /nfs/dbraw/zinc/94/59/04/663945904.db2.gz NMROANGUUZLIIW-CYBMUJFWSA-N 1 1 300.359 -2.461 20 0 DAADMO COC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CNCCO1 ZINC000876502726 663946287 /nfs/dbraw/zinc/94/62/87/663946287.db2.gz LMOBNFGIGZLWMV-CQSZACIVSA-N 1 1 300.403 -1.597 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCNCC1=O ZINC000876745066 663946788 /nfs/dbraw/zinc/94/67/88/663946788.db2.gz YPZKOZZVQAMALP-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCNCC1=O ZINC000876745065 663947233 /nfs/dbraw/zinc/94/72/33/663947233.db2.gz YPZKOZZVQAMALP-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CNCCO1 ZINC000876743290 663947597 /nfs/dbraw/zinc/94/75/97/663947597.db2.gz BBLXGONGXQYYFK-YDHLFZDLSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CNCCO1 ZINC000876743290 663947599 /nfs/dbraw/zinc/94/75/99/663947599.db2.gz BBLXGONGXQYYFK-YDHLFZDLSA-N 1 1 313.398 -1.029 20 0 DAADMO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCNCC1=O ZINC000876745064 663947790 /nfs/dbraw/zinc/94/77/90/663947790.db2.gz YPZKOZZVQAMALP-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CNCCO1 ZINC000876849007 663948084 /nfs/dbraw/zinc/94/80/84/663948084.db2.gz WIBSQWIQWRNGEA-UKRRQHHQSA-N 1 1 312.414 -1.503 20 0 DAADMO COC[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CNCCO1 ZINC000876853482 663948645 /nfs/dbraw/zinc/94/86/45/663948645.db2.gz LSEGSQNUIBRLFV-ZFWWWQNUSA-N 1 1 312.414 -1.503 20 0 DAADMO COC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CNCCO1 ZINC000876853481 663948824 /nfs/dbraw/zinc/94/88/24/663948824.db2.gz LSEGSQNUIBRLFV-UKRRQHHQSA-N 1 1 312.414 -1.503 20 0 DAADMO COC[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CNCCO1 ZINC000876849005 663948832 /nfs/dbraw/zinc/94/88/32/663948832.db2.gz WIBSQWIQWRNGEA-DZGCQCFKSA-N 1 1 312.414 -1.503 20 0 DAADMO O=C([C@H]1CCC(=O)O1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924544 663948864 /nfs/dbraw/zinc/94/88/64/663948864.db2.gz SLYGXIJCPFOKRI-SNVBAGLBSA-N 1 1 317.367 -1.862 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]([NH3+])CN(C)C)C[C@H]21 ZINC000876971402 663949553 /nfs/dbraw/zinc/94/95/53/663949553.db2.gz PLNKZZPZDUFZSH-MMWGEVLESA-N 1 1 305.400 -1.854 20 0 DAADMO O=S(=O)(N1CC[C@@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000923656863 663950165 /nfs/dbraw/zinc/95/01/65/663950165.db2.gz LBIAXNPIPLFKAW-NSHDSACASA-N 1 1 300.388 -1.250 20 0 DAADMO O=S(=O)(N1CC[C@H](Cn2ccnn2)C1)N1CC[NH2+]CC1 ZINC000923656862 663950466 /nfs/dbraw/zinc/95/04/66/663950466.db2.gz LBIAXNPIPLFKAW-LLVKDONJSA-N 1 1 300.388 -1.250 20 0 DAADMO COC(=O)C1(O)CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000877768959 663950824 /nfs/dbraw/zinc/95/08/24/663950824.db2.gz MFDPZCCTMLAMMK-UHFFFAOYSA-N 1 1 321.381 -1.052 20 0 DAADMO NC(=O)c1ccc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000878194052 663951156 /nfs/dbraw/zinc/95/11/56/663951156.db2.gz DVMZVIHURRTKSJ-CYBMUJFWSA-N 1 1 316.361 -1.029 20 0 DAADMO NC(=O)c1ccc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000878194052 663951160 /nfs/dbraw/zinc/95/11/60/663951160.db2.gz DVMZVIHURRTKSJ-CYBMUJFWSA-N 1 1 316.361 -1.029 20 0 DAADMO C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H](C)N1CCn1cnnn1 ZINC000878526748 663951546 /nfs/dbraw/zinc/95/15/46/663951546.db2.gz PCWIIHRWNRNUQV-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1CN(CCn2cnnn2)C[C@H](C)[N@H+]1CCn1cnnn1 ZINC000878526748 663951548 /nfs/dbraw/zinc/95/15/48/663951548.db2.gz PCWIIHRWNRNUQV-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1CN(CCn2cnnn2)C[C@H](C)[N@@H+]1CCn1cnnn1 ZINC000878526748 663951549 /nfs/dbraw/zinc/95/15/49/663951549.db2.gz PCWIIHRWNRNUQV-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO CC1(C)C[N@@H+](CCn2cnnn2)CCN1CCn1cnnn1 ZINC000878257807 663952087 /nfs/dbraw/zinc/95/20/87/663952087.db2.gz LVRQYZUKIFUCBL-UHFFFAOYSA-N 1 1 306.378 -1.244 20 0 DAADMO CC1(C)CN(CCn2cnnn2)CC[N@@H+]1CCn1cnnn1 ZINC000878257807 663952091 /nfs/dbraw/zinc/95/20/91/663952091.db2.gz LVRQYZUKIFUCBL-UHFFFAOYSA-N 1 1 306.378 -1.244 20 0 DAADMO CC1(C)CN(CCn2cnnn2)CC[N@H+]1CCn1cnnn1 ZINC000878257807 663952093 /nfs/dbraw/zinc/95/20/93/663952093.db2.gz LVRQYZUKIFUCBL-UHFFFAOYSA-N 1 1 306.378 -1.244 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nnn(C)n1 ZINC000878619577 663952796 /nfs/dbraw/zinc/95/27/96/663952796.db2.gz XSJIYSYRINLMJL-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H]1[C@H](C)[N@@H+](CCn2cnnn2)CCN1CCn1cnnn1 ZINC000878997498 663953332 /nfs/dbraw/zinc/95/33/32/663953332.db2.gz GRVVYKNQPHWAHJ-RYUDHWBXSA-N 1 1 306.378 -1.246 20 0 DAADMO CN1C(=O)[C@H]2C[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]2C1=O ZINC000879531941 663953690 /nfs/dbraw/zinc/95/36/90/663953690.db2.gz MQHMBTYHBOUPPC-PHIMTYICSA-N 1 1 322.365 -1.728 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]2C1=O ZINC000879531941 663953692 /nfs/dbraw/zinc/95/36/92/663953692.db2.gz MQHMBTYHBOUPPC-PHIMTYICSA-N 1 1 322.365 -1.728 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2C1=O ZINC000879534241 663953987 /nfs/dbraw/zinc/95/39/87/663953987.db2.gz MQLBXNMUDYVYPT-AOOOYVTPSA-N 1 1 301.368 -1.432 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879613775 663954064 /nfs/dbraw/zinc/95/40/64/663954064.db2.gz QPDGECVOXVLMDK-NEPJUHHUSA-N 1 1 315.370 -1.285 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879613775 663954066 /nfs/dbraw/zinc/95/40/66/663954066.db2.gz QPDGECVOXVLMDK-NEPJUHHUSA-N 1 1 315.370 -1.285 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C(=O)N(C)C ZINC000879531366 663954336 /nfs/dbraw/zinc/95/43/36/663954336.db2.gz BVTDSCHEICNPCJ-LPEHRKFASA-N 1 1 310.354 -1.874 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C(=O)N(C)C ZINC000879531366 663954338 /nfs/dbraw/zinc/95/43/38/663954338.db2.gz BVTDSCHEICNPCJ-LPEHRKFASA-N 1 1 310.354 -1.874 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531719 663954379 /nfs/dbraw/zinc/95/43/79/663954379.db2.gz KOMSPHYFZBTZNC-PHIMTYICSA-N 1 1 324.381 -1.482 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531719 663954382 /nfs/dbraw/zinc/95/43/82/663954382.db2.gz KOMSPHYFZBTZNC-PHIMTYICSA-N 1 1 324.381 -1.482 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532407 663954731 /nfs/dbraw/zinc/95/47/31/663954731.db2.gz XIOZPVLUTWSHCL-TXEJJXNPSA-N 1 1 319.365 -1.075 20 0 DAADMO C[C@H](NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C(=O)N(C)C ZINC000880071439 663955170 /nfs/dbraw/zinc/95/51/70/663955170.db2.gz ZOVFWURSPFHFAE-RWMBFGLXSA-N 1 1 312.414 -1.280 20 0 DAADMO Cn1c(=O)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n(C)c1=O ZINC000880070706 663955382 /nfs/dbraw/zinc/95/53/82/663955382.db2.gz KXPXGQPZCAEZNV-WCQYABFASA-N 1 1 308.382 -1.275 20 0 DAADMO Cn1nnnc1C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000879915819 663955859 /nfs/dbraw/zinc/95/58/59/663955859.db2.gz QRQKHRFKTSSEKM-UHFFFAOYSA-N 1 1 307.358 -1.652 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC=C[C@@H]3CO)c2c(=O)n(C)c1=O ZINC000880486399 663956167 /nfs/dbraw/zinc/95/61/67/663956167.db2.gz BHFCRZIQPNDWSH-SNVBAGLBSA-N 1 1 305.338 -1.334 20 0 DAADMO Cn1ncnc1C1(O)CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000881953553 663958340 /nfs/dbraw/zinc/95/83/40/663958340.db2.gz CEVNXAJLPQASCX-LLVKDONJSA-N 1 1 306.370 -1.765 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCNS(=O)(=O)N(C)C ZINC000883724522 663961751 /nfs/dbraw/zinc/96/17/51/663961751.db2.gz WZHRTFCQTYLNDM-SNVBAGLBSA-N 1 1 307.420 -1.224 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC001006344093 663962184 /nfs/dbraw/zinc/96/21/84/663962184.db2.gz SHQHOZAGHCUJPS-WCABBAIRSA-N 1 1 312.370 -1.846 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC001006344093 663962188 /nfs/dbraw/zinc/96/21/88/663962188.db2.gz SHQHOZAGHCUJPS-WCABBAIRSA-N 1 1 312.370 -1.846 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cc(CN2CCNC(=O)C2)nn1)C1CC1 ZINC000883998179 663962960 /nfs/dbraw/zinc/96/29/60/663962960.db2.gz XMRUKIFGFOXLDW-CYBMUJFWSA-N 1 1 308.386 -1.335 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000884642749 663965965 /nfs/dbraw/zinc/96/59/65/663965965.db2.gz QHQXNPFUMHYUGT-UPJWGTAASA-N 1 1 312.414 -1.124 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CN2C(=O)CCC2=O)CC1 ZINC001006384872 663967498 /nfs/dbraw/zinc/96/74/98/663967498.db2.gz QAHSLMDNBBDDKX-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CN2C(=O)CCC2=O)CC1 ZINC001006385439 663968453 /nfs/dbraw/zinc/96/84/53/663968453.db2.gz WAXMBTKBNUVURQ-SNVBAGLBSA-N 1 1 324.381 -1.068 20 0 DAADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC[N@@H+](C)CCO ZINC000885805602 663969586 /nfs/dbraw/zinc/96/95/86/663969586.db2.gz VGHDANHWSQSVOG-LLVKDONJSA-N 1 1 323.415 -1.228 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885886222 663969688 /nfs/dbraw/zinc/96/96/88/663969688.db2.gz TWORKAZKEKNHHQ-NSHDSACASA-N 1 1 320.415 -1.590 20 0 DAADMO CO[C@H](CS(=O)(=O)NCC[N@H+](C)CCO)[C@@H]1CCOC1 ZINC000885800987 663970000 /nfs/dbraw/zinc/97/00/00/663970000.db2.gz IODNSVUURCITNV-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO CO[C@H](CS(=O)(=O)NCC[N@@H+](C)CCO)[C@@H]1CCOC1 ZINC000885800987 663970002 /nfs/dbraw/zinc/97/00/02/663970002.db2.gz IODNSVUURCITNV-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO C[N@@H+](CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)C1CCC1 ZINC000886180096 663971385 /nfs/dbraw/zinc/97/13/85/663971385.db2.gz JJYMARXANWUBMT-NSHDSACASA-N 1 1 302.400 -1.169 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886179977 663971427 /nfs/dbraw/zinc/97/14/27/663971427.db2.gz GRFDFCHFIMDGEH-GHMZBOCLSA-N 1 1 302.400 -1.311 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886179980 663971444 /nfs/dbraw/zinc/97/14/44/663971444.db2.gz GRFDFCHFIMDGEH-WDEREUQCSA-N 1 1 302.400 -1.311 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)n1 ZINC001036941188 663972992 /nfs/dbraw/zinc/97/29/92/663972992.db2.gz LIZIAWBOZXSPQI-UWVGGRQHSA-N 1 1 320.361 -1.729 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2cnnn2)n1 ZINC001036941187 663973254 /nfs/dbraw/zinc/97/32/54/663973254.db2.gz LIZIAWBOZXSPQI-NXEZZACHSA-N 1 1 320.361 -1.729 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)n1 ZINC001036941190 663973408 /nfs/dbraw/zinc/97/34/08/663973408.db2.gz LIZIAWBOZXSPQI-ZJUUUORDSA-N 1 1 320.361 -1.729 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2cnnn2)n1 ZINC001036941189 663973458 /nfs/dbraw/zinc/97/34/58/663973458.db2.gz LIZIAWBOZXSPQI-VHSXEESVSA-N 1 1 320.361 -1.729 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000887070772 663976029 /nfs/dbraw/zinc/97/60/29/663976029.db2.gz SPGGHHJNUSKYPN-RWMBFGLXSA-N 1 1 310.398 -1.526 20 0 DAADMO Cn1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000888990866 663977502 /nfs/dbraw/zinc/97/75/02/663977502.db2.gz HEVFXYGCFUOBHT-UHFFFAOYSA-N 1 1 323.397 -1.597 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(=O)n1C ZINC000889752123 663977522 /nfs/dbraw/zinc/97/75/22/663977522.db2.gz WJYDKZYSWVLHGH-QWHCGFSZSA-N 1 1 323.397 -1.052 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889754606 663977901 /nfs/dbraw/zinc/97/79/01/663977901.db2.gz AZHBWNSVDABXPE-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889743021 663977941 /nfs/dbraw/zinc/97/79/41/663977941.db2.gz DABKUTXQKYTNNJ-NWDGAFQWSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC[N@@H+](C)CC1 ZINC000888992345 663978001 /nfs/dbraw/zinc/97/80/01/663978001.db2.gz HXKFGRJLGGXQQQ-UHFFFAOYSA-N 1 1 323.397 -1.368 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(=O)n1C ZINC000889752135 663978028 /nfs/dbraw/zinc/97/80/28/663978028.db2.gz WJYDKZYSWVLHGH-STQMWFEESA-N 1 1 323.397 -1.052 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889743605 663978041 /nfs/dbraw/zinc/97/80/41/663978041.db2.gz HMOARVPKSPEGNS-AVGNSLFASA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC000890166045 663978665 /nfs/dbraw/zinc/97/86/65/663978665.db2.gz WBNSKDDAYQVBIM-NHCYSSNCSA-N 1 1 305.400 -1.072 20 0 DAADMO CCN(CC)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923717019 663979408 /nfs/dbraw/zinc/97/94/08/663979408.db2.gz QYCDDQMGTFFGIU-ZJUUUORDSA-N 1 1 311.429 -1.356 20 0 DAADMO CCCN(C)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923717327 663979595 /nfs/dbraw/zinc/97/95/95/663979595.db2.gz RMUSPIRUGALYCM-ZJUUUORDSA-N 1 1 311.429 -1.356 20 0 DAADMO CC1=C(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)Cn2nnnc2N1C ZINC000924979176 663980209 /nfs/dbraw/zinc/98/02/09/663980209.db2.gz DOUWOHSYRZRJSC-NXEZZACHSA-N 1 1 307.358 -1.422 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924986514 663980618 /nfs/dbraw/zinc/98/06/18/663980618.db2.gz IBSIKWPSHIYLAU-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000925428767 663981327 /nfs/dbraw/zinc/98/13/27/663981327.db2.gz MIAYNYUHNRRJSI-WDEREUQCSA-N 1 1 320.415 -1.350 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925432418 663981408 /nfs/dbraw/zinc/98/14/08/663981408.db2.gz SKIYRZPGHGAKFK-JTQLQIEISA-N 1 1 305.404 -1.518 20 0 DAADMO CN(CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925414694 663981444 /nfs/dbraw/zinc/98/14/44/663981444.db2.gz BBPIPGZOODUAKX-RYUDHWBXSA-N 1 1 313.402 -1.482 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000926385916 663983609 /nfs/dbraw/zinc/98/36/09/663983609.db2.gz AQQVHPKOSDPVMD-YIYPIFLZSA-N 1 1 324.425 -1.293 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000926385911 663983741 /nfs/dbraw/zinc/98/37/41/663983741.db2.gz AQQVHPKOSDPVMD-RFQIPJPRSA-N 1 1 324.425 -1.293 20 0 DAADMO CN1C[C@@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400119 663984229 /nfs/dbraw/zinc/98/42/29/663984229.db2.gz GMWLSJWNYUCODD-QNWHQSFQSA-N 1 1 310.398 -1.622 20 0 DAADMO CN1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400121 663984247 /nfs/dbraw/zinc/98/42/47/663984247.db2.gz GMWLSJWNYUCODD-UMSGYPCISA-N 1 1 310.398 -1.622 20 0 DAADMO CN1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926440523 663984520 /nfs/dbraw/zinc/98/45/20/663984520.db2.gz SAGICOQKJRMQHN-IOASZLSFSA-N 1 1 324.425 -1.088 20 0 DAADMO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)N(C)C1 ZINC000926421080 663984621 /nfs/dbraw/zinc/98/46/21/663984621.db2.gz VZXPFKIJOMOHOF-MROQNXINSA-N 1 1 312.414 -1.031 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947036267 663986028 /nfs/dbraw/zinc/98/60/28/663986028.db2.gz NVTQHOFXRXVYHQ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCOCC2)C1 ZINC000954318040 663986124 /nfs/dbraw/zinc/98/61/24/663986124.db2.gz QIHKCBPOSRXSFP-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947036268 663986281 /nfs/dbraw/zinc/98/62/81/663986281.db2.gz NVTQHOFXRXVYHQ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000928453158 663987090 /nfs/dbraw/zinc/98/70/90/663987090.db2.gz IIJUGOIOUCEXFQ-GXSJLCMTSA-N 1 1 315.399 -1.093 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000928453164 663987262 /nfs/dbraw/zinc/98/72/62/663987262.db2.gz IIJUGOIOUCEXFQ-MWLCHTKSSA-N 1 1 315.399 -1.093 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929245866 663987816 /nfs/dbraw/zinc/98/78/16/663987816.db2.gz GPWHFAVTUFVBTG-GXTWGEPZSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929245866 663987818 /nfs/dbraw/zinc/98/78/18/663987818.db2.gz GPWHFAVTUFVBTG-GXTWGEPZSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929245867 663988222 /nfs/dbraw/zinc/98/82/22/663988222.db2.gz GPWHFAVTUFVBTG-JSGCOSHPSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929245867 663988223 /nfs/dbraw/zinc/98/82/23/663988223.db2.gz GPWHFAVTUFVBTG-JSGCOSHPSA-N 1 1 304.387 -1.027 20 0 DAADMO OC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000929687890 663988425 /nfs/dbraw/zinc/98/84/25/663988425.db2.gz KDBWIDRKUBFNSX-ZDUSSCGKSA-N 1 1 323.397 -1.212 20 0 DAADMO OC[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000929687889 663988499 /nfs/dbraw/zinc/98/84/99/663988499.db2.gz KDBWIDRKUBFNSX-CYBMUJFWSA-N 1 1 323.397 -1.212 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000929473153 663988527 /nfs/dbraw/zinc/98/85/27/663988527.db2.gz YRNKVRZMIAZZLF-JHJVBQTASA-N 1 1 322.427 -1.098 20 0 DAADMO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)CC2 ZINC000929953022 663988890 /nfs/dbraw/zinc/98/88/90/663988890.db2.gz LFKUMYSYAWYPRJ-QWRGUYRKSA-N 1 1 306.370 -1.162 20 0 DAADMO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)CC2 ZINC000929953022 663988892 /nfs/dbraw/zinc/98/88/92/663988892.db2.gz LFKUMYSYAWYPRJ-QWRGUYRKSA-N 1 1 306.370 -1.162 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929779969 663989198 /nfs/dbraw/zinc/98/91/98/663989198.db2.gz JENNXFRMXKFOAJ-GJZGRUSLSA-N 1 1 318.414 -1.485 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000929983026 663989700 /nfs/dbraw/zinc/98/97/00/663989700.db2.gz UNXGLFZPFCBNDH-NEPJUHHUSA-N 1 1 322.427 -1.098 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[NH+](CCO)CC2)c1=O ZINC000930035320 663989717 /nfs/dbraw/zinc/98/97/17/663989717.db2.gz KSQXHWDCEAZDNZ-UHFFFAOYSA-N 1 1 323.349 -1.229 20 0 DAADMO CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000930148381 663990306 /nfs/dbraw/zinc/99/03/06/663990306.db2.gz BANQTNOZHYRVLF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000929983029 663990462 /nfs/dbraw/zinc/99/04/62/663990462.db2.gz UNXGLFZPFCBNDH-VXGBXAGGSA-N 1 1 322.427 -1.098 20 0 DAADMO CN(C)c1nccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)n1 ZINC000930386142 663991331 /nfs/dbraw/zinc/99/13/31/663991331.db2.gz FLBVRXKDBTVMPM-LLVKDONJSA-N 1 1 306.370 -1.021 20 0 DAADMO CN(C)c1nccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)n1 ZINC000930386142 663991332 /nfs/dbraw/zinc/99/13/32/663991332.db2.gz FLBVRXKDBTVMPM-LLVKDONJSA-N 1 1 306.370 -1.021 20 0 DAADMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930714449 663992491 /nfs/dbraw/zinc/99/24/91/663992491.db2.gz YXLXAJPDRIAMJT-STQMWFEESA-N 1 1 316.398 -1.075 20 0 DAADMO COC(=O)[C@@H]1CN(C[C@H](O)C2(O)CCOCC2)CC[N@H+](C)C1 ZINC000930714449 663992496 /nfs/dbraw/zinc/99/24/96/663992496.db2.gz YXLXAJPDRIAMJT-STQMWFEESA-N 1 1 316.398 -1.075 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000931487679 663993902 /nfs/dbraw/zinc/99/39/02/663993902.db2.gz GEINKTZXEVCKSN-CYBMUJFWSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000931487679 663993905 /nfs/dbraw/zinc/99/39/05/663993905.db2.gz GEINKTZXEVCKSN-CYBMUJFWSA-N 1 1 315.414 -1.405 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@H+](C)[C@H](CO)C3)nc2c(=O)n(C)c1=O ZINC000931403524 663994520 /nfs/dbraw/zinc/99/45/20/663994520.db2.gz MCBNUHNKHUIJDQ-VIFPVBQESA-N 1 1 322.369 -1.931 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@@H+](C)[C@H](CO)C3)nc2c(=O)n(C)c1=O ZINC000931403524 663994524 /nfs/dbraw/zinc/99/45/24/663994524.db2.gz MCBNUHNKHUIJDQ-VIFPVBQESA-N 1 1 322.369 -1.931 20 0 DAADMO OC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CO)[C@H](Cc2ccccc2)C1 ZINC000931735245 663994726 /nfs/dbraw/zinc/99/47/26/663994726.db2.gz NBZOHCFBWYTZBQ-BRWVUGGUSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@H](O)CN1CC[N@H+](C[C@@H](O)CO)C[C@H]1Cc1ccccc1 ZINC000931735245 663994730 /nfs/dbraw/zinc/99/47/30/663994730.db2.gz NBZOHCFBWYTZBQ-BRWVUGGUSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CO)C[C@H]1Cc1ccccc1 ZINC000931735245 663994737 /nfs/dbraw/zinc/99/47/37/663994737.db2.gz NBZOHCFBWYTZBQ-BRWVUGGUSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CO)[C@@H](Cc2ccccc2)C1 ZINC000931735246 663994995 /nfs/dbraw/zinc/99/49/95/663994995.db2.gz NBZOHCFBWYTZBQ-GVDBMIGSSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@H](O)CN1CC[N@H+](C[C@@H](O)CO)C[C@@H]1Cc1ccccc1 ZINC000931735246 663995002 /nfs/dbraw/zinc/99/50/02/663995002.db2.gz NBZOHCFBWYTZBQ-GVDBMIGSSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@H](O)CN1CC[N@@H+](C[C@@H](O)CO)C[C@@H]1Cc1ccccc1 ZINC000931735246 663995010 /nfs/dbraw/zinc/99/50/10/663995010.db2.gz NBZOHCFBWYTZBQ-GVDBMIGSSA-N 1 1 324.421 -1.078 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931635796 663995153 /nfs/dbraw/zinc/99/51/53/663995153.db2.gz HOSNEYALMCACNM-UWVGGRQHSA-N 1 1 304.343 -1.280 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931635796 663995156 /nfs/dbraw/zinc/99/51/56/663995156.db2.gz HOSNEYALMCACNM-UWVGGRQHSA-N 1 1 304.343 -1.280 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931635800 663995172 /nfs/dbraw/zinc/99/51/72/663995172.db2.gz HOSNEYALMCACNM-VHSXEESVSA-N 1 1 304.343 -1.280 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931635800 663995174 /nfs/dbraw/zinc/99/51/74/663995174.db2.gz HOSNEYALMCACNM-VHSXEESVSA-N 1 1 304.343 -1.280 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)C1CC1 ZINC000931778812 663995503 /nfs/dbraw/zinc/99/55/03/663995503.db2.gz DXLGTLRERVVDED-SCZZXKLOSA-N 1 1 303.384 -1.502 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000931884170 663995900 /nfs/dbraw/zinc/99/59/00/663995900.db2.gz FMZADFSAVJRTOI-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000931884170 663995903 /nfs/dbraw/zinc/99/59/03/663995903.db2.gz FMZADFSAVJRTOI-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000931881611 663995924 /nfs/dbraw/zinc/99/59/24/663995924.db2.gz COSQMKLITAZTCZ-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000931881611 663995927 /nfs/dbraw/zinc/99/59/27/663995927.db2.gz COSQMKLITAZTCZ-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931879253 663995972 /nfs/dbraw/zinc/99/59/72/663995972.db2.gz WUJGMZVUNSTBMG-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000931872688 663995981 /nfs/dbraw/zinc/99/59/81/663995981.db2.gz OXCWQZQVVCRSFR-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000931872688 663995983 /nfs/dbraw/zinc/99/59/83/663995983.db2.gz OXCWQZQVVCRSFR-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000931881612 663996185 /nfs/dbraw/zinc/99/61/85/663996185.db2.gz COSQMKLITAZTCZ-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000931881612 663996190 /nfs/dbraw/zinc/99/61/90/663996190.db2.gz COSQMKLITAZTCZ-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000931875799 663996531 /nfs/dbraw/zinc/99/65/31/663996531.db2.gz FQEZZEQGVIPMTA-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000931875799 663996533 /nfs/dbraw/zinc/99/65/33/663996533.db2.gz FQEZZEQGVIPMTA-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931885021 663997328 /nfs/dbraw/zinc/99/73/28/663997328.db2.gz BRQYQPPAZOSRHN-ZIAGYGMSSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931889278 663997409 /nfs/dbraw/zinc/99/74/09/663997409.db2.gz FRVKJTSIGSMJDH-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931886169 663997429 /nfs/dbraw/zinc/99/74/29/663997429.db2.gz RNJJJOBVRYVFEQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931886169 663997431 /nfs/dbraw/zinc/99/74/31/663997431.db2.gz RNJJJOBVRYVFEQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931887959 663997925 /nfs/dbraw/zinc/99/79/25/663997925.db2.gz ZTRZBIPCHCCPTI-NSHDSACASA-N 1 1 321.385 -1.716 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931887959 663997933 /nfs/dbraw/zinc/99/79/33/663997933.db2.gz ZTRZBIPCHCCPTI-NSHDSACASA-N 1 1 321.385 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(C)C ZINC000932728263 663999274 /nfs/dbraw/zinc/99/92/74/663999274.db2.gz HBJVYGPAAVXAST-JTQLQIEISA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964648 664000074 /nfs/dbraw/zinc/00/00/74/664000074.db2.gz UAVOFBWRQAFUDN-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964648 664000077 /nfs/dbraw/zinc/00/00/77/664000077.db2.gz UAVOFBWRQAFUDN-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000933435185 664000763 /nfs/dbraw/zinc/00/07/63/664000763.db2.gz OFHCXTCSAABJJO-WOPDTQHZSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000933486239 664001159 /nfs/dbraw/zinc/00/11/59/664001159.db2.gz MZJRUDURDNXNJG-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000933435183 664001180 /nfs/dbraw/zinc/00/11/80/664001180.db2.gz OFHCXTCSAABJJO-UTUOFQBUSA-N 1 1 323.401 -1.024 20 0 DAADMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)N1CCCC1 ZINC000933095101 664001279 /nfs/dbraw/zinc/00/12/79/664001279.db2.gz CKODRQTYTVBDEE-LLVKDONJSA-N 1 1 302.400 -1.167 20 0 DAADMO O=C(CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CCNC(=O)C1 ZINC000934252008 664002499 /nfs/dbraw/zinc/00/24/99/664002499.db2.gz IIBMMHQFDKPHKN-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO CN1CCn2nc(C(=O)NCC[NH+]3CCC3)cc2S1(=O)=O ZINC000935045029 664003799 /nfs/dbraw/zinc/00/37/99/664003799.db2.gz DOPDSJHJKAJDMD-UHFFFAOYSA-N 1 1 313.383 -1.047 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C[C@H]1C ZINC000935070313 664004045 /nfs/dbraw/zinc/00/40/45/664004045.db2.gz BFURZWHGBUCXHH-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000935173687 664004232 /nfs/dbraw/zinc/00/42/32/664004232.db2.gz RFTVXOMBOBBICZ-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000935844112 664005707 /nfs/dbraw/zinc/00/57/07/664005707.db2.gz ZZWHAOGFAWHLCF-KGLIPLIRSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000935844113 664006067 /nfs/dbraw/zinc/00/60/67/664006067.db2.gz ZZWHAOGFAWHLCF-UONOGXRCSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC000947463698 664008086 /nfs/dbraw/zinc/00/80/86/664008086.db2.gz LJWWETCMJWVMOU-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC000947463698 664008088 /nfs/dbraw/zinc/00/80/88/664008088.db2.gz LJWWETCMJWVMOU-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC(N)=O ZINC000947561148 664008852 /nfs/dbraw/zinc/00/88/52/664008852.db2.gz WQHMZDSDRQBJTF-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1CC(N)=O ZINC000947561148 664008858 /nfs/dbraw/zinc/00/88/58/664008858.db2.gz WQHMZDSDRQBJTF-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC000947630248 664009335 /nfs/dbraw/zinc/00/93/35/664009335.db2.gz XNBSDNHJZYWUTA-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC000947821624 664010571 /nfs/dbraw/zinc/01/05/71/664010571.db2.gz XKOOCBRAUOULMV-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC000947821624 664010574 /nfs/dbraw/zinc/01/05/74/664010574.db2.gz XKOOCBRAUOULMV-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CCCO ZINC000948013464 664011988 /nfs/dbraw/zinc/01/19/88/664011988.db2.gz WVOKVZQOGSYSHL-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[N@@H+]1CC(N)=O ZINC000948017788 664012170 /nfs/dbraw/zinc/01/21/70/664012170.db2.gz XFMPWRLMPJPYDT-IUCAKERBSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[N@H+]1CC(N)=O ZINC000948017788 664012174 /nfs/dbraw/zinc/01/21/74/664012174.db2.gz XFMPWRLMPJPYDT-IUCAKERBSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000948037259 664012433 /nfs/dbraw/zinc/01/24/33/664012433.db2.gz SGNCJZRBHWNWDH-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000948037259 664012439 /nfs/dbraw/zinc/01/24/39/664012439.db2.gz SGNCJZRBHWNWDH-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000948059509 664013449 /nfs/dbraw/zinc/01/34/49/664013449.db2.gz DWBOFIFRZZAYQD-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173015 664015980 /nfs/dbraw/zinc/01/59/80/664015980.db2.gz HAAOZENMHHWOGX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948309561 664016426 /nfs/dbraw/zinc/01/64/26/664016426.db2.gz RMOSFLNESYJNQQ-JTQLQIEISA-N 1 1 310.358 -1.218 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC[NH+](CCCO)CC1 ZINC000948642016 664020397 /nfs/dbraw/zinc/02/03/97/664020397.db2.gz WJSYTGAYGVCZML-UHFFFAOYSA-N 1 1 305.400 -1.452 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948630495 664019787 /nfs/dbraw/zinc/01/97/87/664019787.db2.gz LVOBTMFWZNLBRS-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948630496 664020045 /nfs/dbraw/zinc/02/00/45/664020045.db2.gz LVOBTMFWZNLBRS-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC000948736641 664020826 /nfs/dbraw/zinc/02/08/26/664020826.db2.gz AFHOWSSHHFNVIZ-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000948738540 664021032 /nfs/dbraw/zinc/02/10/32/664021032.db2.gz YCODEAIQBCGLSS-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751509 664021102 /nfs/dbraw/zinc/02/11/02/664021102.db2.gz RIAXGOCWINXTDY-STQMWFEESA-N 1 1 322.413 -1.169 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCN(CC(N)=O)CC1 ZINC000948751031 664021361 /nfs/dbraw/zinc/02/13/61/664021361.db2.gz KFAOTBWXTILURF-GFCCVEGCSA-N 1 1 308.386 -1.557 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948864578 664023506 /nfs/dbraw/zinc/02/35/06/664023506.db2.gz HFKVJACPCRCNSK-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948958957 664025535 /nfs/dbraw/zinc/02/55/35/664025535.db2.gz YUTRCPBCULWKLQ-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948957046 664025591 /nfs/dbraw/zinc/02/55/91/664025591.db2.gz FUCOLBXYVNSYLQ-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)CC(N)=O)CCO2 ZINC000949053785 664027272 /nfs/dbraw/zinc/02/72/72/664027272.db2.gz JTOHZUKQWJUCND-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000949143608 664028702 /nfs/dbraw/zinc/02/87/02/664028702.db2.gz LTVDAGHTRYQALT-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC000949149201 664030159 /nfs/dbraw/zinc/03/01/59/664030159.db2.gz MSOQXHYMWNVMBB-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238023 664030340 /nfs/dbraw/zinc/03/03/40/664030340.db2.gz FTQYWGDRXQCQSN-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238023 664030344 /nfs/dbraw/zinc/03/03/44/664030344.db2.gz FTQYWGDRXQCQSN-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1nc[nH]n1)CCO2 ZINC000949209454 664030354 /nfs/dbraw/zinc/03/03/54/664030354.db2.gz CEROGAGWARCONS-UHFFFAOYSA-N 1 1 308.342 -1.403 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239162 664031353 /nfs/dbraw/zinc/03/13/53/664031353.db2.gz PRTPSWCQZDMHDM-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239162 664031357 /nfs/dbraw/zinc/03/13/57/664031357.db2.gz PRTPSWCQZDMHDM-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO O=C(Cn1cnnn1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949291378 664031474 /nfs/dbraw/zinc/03/14/74/664031474.db2.gz AMEMPJUPDDWDPE-UHFFFAOYSA-N 1 1 310.358 -1.641 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949243890 664031575 /nfs/dbraw/zinc/03/15/75/664031575.db2.gz RPMZSNZIIHERQT-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949243890 664031581 /nfs/dbraw/zinc/03/15/81/664031581.db2.gz RPMZSNZIIHERQT-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239161 664031716 /nfs/dbraw/zinc/03/17/16/664031716.db2.gz PRTPSWCQZDMHDM-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239161 664031720 /nfs/dbraw/zinc/03/17/20/664031720.db2.gz PRTPSWCQZDMHDM-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244050 664031976 /nfs/dbraw/zinc/03/19/76/664031976.db2.gz VCVUPMITLJNPOA-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244050 664031981 /nfs/dbraw/zinc/03/19/81/664031981.db2.gz VCVUPMITLJNPOA-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949323050 664032821 /nfs/dbraw/zinc/03/28/21/664032821.db2.gz RBOXDFSJVHJPOC-GFCCVEGCSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC[NH+](CCCO)CC1 ZINC000949311414 664033113 /nfs/dbraw/zinc/03/31/13/664033113.db2.gz IMGUMBQSFQLKKS-UHFFFAOYSA-N 1 1 319.427 -1.061 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000949306962 664033165 /nfs/dbraw/zinc/03/31/65/664033165.db2.gz VOSRLNAYTYORKM-GRYCIOLGSA-N 1 1 321.385 -1.412 20 0 DAADMO NC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381231 664034734 /nfs/dbraw/zinc/03/47/34/664034734.db2.gz QPDLILXUMIFZKZ-MQYJIDSJSA-N 1 1 308.382 -1.521 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000949648483 664040055 /nfs/dbraw/zinc/04/00/55/664040055.db2.gz IPGRDLNUBPBPMR-CHWSQXEVSA-N 1 1 321.381 -1.476 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000949947786 664048561 /nfs/dbraw/zinc/04/85/61/664048561.db2.gz JWDGQIXWMSNLKF-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000949946804 664048692 /nfs/dbraw/zinc/04/86/92/664048692.db2.gz RAENBRURGSOVBT-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000949947752 664048817 /nfs/dbraw/zinc/04/88/17/664048817.db2.gz JKMLOLNIZUQLCA-GHMZBOCLSA-N 1 1 319.369 -1.409 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000949947829 664048988 /nfs/dbraw/zinc/04/89/88/664048988.db2.gz KQYIPONBSLFQPX-RYUDHWBXSA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN2CN=NC2=O)C1 ZINC000950065123 664050716 /nfs/dbraw/zinc/05/07/16/664050716.db2.gz UBQLJDQWWRQVBS-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)CCn2cnnn2)C1 ZINC000950074441 664050738 /nfs/dbraw/zinc/05/07/38/664050738.db2.gz OZAPDTIFKOQOHP-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000950076577 664050808 /nfs/dbraw/zinc/05/08/08/664050808.db2.gz GATNZKLRQLGQBN-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000950077674 664050878 /nfs/dbraw/zinc/05/08/78/664050878.db2.gz TYDOQZUQSOIPRL-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CN=NC2=O)C1 ZINC000950065126 664051090 /nfs/dbraw/zinc/05/10/90/664051090.db2.gz UBQLJDQWWRQVBS-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254240 664053413 /nfs/dbraw/zinc/05/34/13/664053413.db2.gz SPUISNCLUZSRAF-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254240 664053415 /nfs/dbraw/zinc/05/34/15/664053415.db2.gz SPUISNCLUZSRAF-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254237 664053419 /nfs/dbraw/zinc/05/34/19/664053419.db2.gz SPUISNCLUZSRAF-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254237 664053422 /nfs/dbraw/zinc/05/34/22/664053422.db2.gz SPUISNCLUZSRAF-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000950510484 664057642 /nfs/dbraw/zinc/05/76/42/664057642.db2.gz UISZEOFOAWFSGO-NEPJUHHUSA-N 1 1 322.413 -1.050 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)O1 ZINC000950789063 664063138 /nfs/dbraw/zinc/06/31/38/664063138.db2.gz PYJBLHDZEKDQSJ-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)O1 ZINC000950789063 664063145 /nfs/dbraw/zinc/06/31/45/664063145.db2.gz PYJBLHDZEKDQSJ-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000950870501 664063898 /nfs/dbraw/zinc/06/38/98/664063898.db2.gz VHAOACDNZIGWAA-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000950862989 664063923 /nfs/dbraw/zinc/06/39/23/664063923.db2.gz OTVYWDGGIJIJRK-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)no1 ZINC000950874897 664063933 /nfs/dbraw/zinc/06/39/33/664063933.db2.gz WPNULFFLXBMCIY-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000950906600 664065153 /nfs/dbraw/zinc/06/51/53/664065153.db2.gz QGHYFMSETFWKPO-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC000950930494 664066049 /nfs/dbraw/zinc/06/60/49/664066049.db2.gz GEGYNEBQOVLRGU-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000950915114 664066070 /nfs/dbraw/zinc/06/60/70/664066070.db2.gz ZVHNDNLFLGMJHE-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000951087767 664069616 /nfs/dbraw/zinc/06/96/16/664069616.db2.gz YAAKIOWCIXWZNQ-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000951087767 664069618 /nfs/dbraw/zinc/06/96/18/664069618.db2.gz YAAKIOWCIXWZNQ-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+](CCCO)CC2)C1=O ZINC000951165354 664071483 /nfs/dbraw/zinc/07/14/83/664071483.db2.gz FEWUNFFTCWQHFG-UHFFFAOYSA-N 1 1 312.326 -2.066 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000951166240 664071567 /nfs/dbraw/zinc/07/15/67/664071567.db2.gz NCQWTUGEYVUMJT-LLVKDONJSA-N 1 1 324.381 -1.123 20 0 DAADMO COCC[NH+]1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000951166551 664071757 /nfs/dbraw/zinc/07/17/57/664071757.db2.gz OYLASELGVZQQJB-UHFFFAOYSA-N 1 1 320.353 -1.318 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951361937 664075865 /nfs/dbraw/zinc/07/58/65/664075865.db2.gz DWZRIFOULNZWBO-SSOKKCIESA-N 1 1 322.365 -1.948 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000951620302 664087082 /nfs/dbraw/zinc/08/70/82/664087082.db2.gz FPXGNLXGXICVQS-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000951620302 664087085 /nfs/dbraw/zinc/08/70/85/664087085.db2.gz FPXGNLXGXICVQS-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000951620301 664087224 /nfs/dbraw/zinc/08/72/24/664087224.db2.gz FPXGNLXGXICVQS-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000951620301 664087230 /nfs/dbraw/zinc/08/72/30/664087230.db2.gz FPXGNLXGXICVQS-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000951620430 664087575 /nfs/dbraw/zinc/08/75/75/664087575.db2.gz INEMMAIUHYJMSQ-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636387 664090061 /nfs/dbraw/zinc/09/00/61/664090061.db2.gz WQRVACDEKGUHMS-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636387 664090063 /nfs/dbraw/zinc/09/00/63/664090063.db2.gz WQRVACDEKGUHMS-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000951672206 664091710 /nfs/dbraw/zinc/09/17/10/664091710.db2.gz XIIGKWYBULCGIC-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000951706542 664092174 /nfs/dbraw/zinc/09/21/74/664092174.db2.gz AQNCHUHJOZOVQX-NAUIOFCNSA-N 1 1 310.354 -1.500 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000951725150 664092305 /nfs/dbraw/zinc/09/23/05/664092305.db2.gz JDJAKNAJUKCMKE-QWRGUYRKSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000951672207 664092551 /nfs/dbraw/zinc/09/25/51/664092551.db2.gz XIIGKWYBULCGIC-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(CN2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC000951752212 664093101 /nfs/dbraw/zinc/09/31/01/664093101.db2.gz WMULLKKOBPABCT-UHFFFAOYSA-N 1 1 323.401 -1.423 20 0 DAADMO CNC(=O)[C@H](C)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754414 664093698 /nfs/dbraw/zinc/09/36/98/664093698.db2.gz BZCOPPUTQUVBDV-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)O1 ZINC000951860603 664099252 /nfs/dbraw/zinc/09/92/52/664099252.db2.gz LDRVGTJVQBNVRC-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)O1 ZINC000951860603 664099256 /nfs/dbraw/zinc/09/92/56/664099256.db2.gz LDRVGTJVQBNVRC-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000951874501 664100089 /nfs/dbraw/zinc/10/00/89/664100089.db2.gz MYZJMMNCZAOFTO-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952589163 664111254 /nfs/dbraw/zinc/11/12/54/664111254.db2.gz IYKIDKNTQZZDEG-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952589163 664111258 /nfs/dbraw/zinc/11/12/58/664111258.db2.gz IYKIDKNTQZZDEG-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953172107 664114804 /nfs/dbraw/zinc/11/48/04/664114804.db2.gz JCTJTZCAZPJUPY-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138280 664114963 /nfs/dbraw/zinc/11/49/63/664114963.db2.gz UQCMNYUXAGMEAZ-IAQYHMDHSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953138280 664114967 /nfs/dbraw/zinc/11/49/67/664114967.db2.gz UQCMNYUXAGMEAZ-IAQYHMDHSA-N 1 1 324.381 -1.747 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953680377 664121542 /nfs/dbraw/zinc/12/15/42/664121542.db2.gz AGPUUXGZSNKMJZ-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953680377 664121546 /nfs/dbraw/zinc/12/15/46/664121546.db2.gz AGPUUXGZSNKMJZ-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000953680550 664121583 /nfs/dbraw/zinc/12/15/83/664121583.db2.gz HLRHQHUWWCJPEY-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953690515 664122927 /nfs/dbraw/zinc/12/29/27/664122927.db2.gz DTQSHGVYBGVCET-SNVBAGLBSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953904552 664128276 /nfs/dbraw/zinc/12/82/76/664128276.db2.gz FJZXEKGUJFARCA-GRYCIOLGSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953904553 664128875 /nfs/dbraw/zinc/12/88/75/664128875.db2.gz FJZXEKGUJFARCA-WOPDTQHZSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000953941192 664129498 /nfs/dbraw/zinc/12/94/98/664129498.db2.gz SRPPJJCSABVSGF-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953941192 664129503 /nfs/dbraw/zinc/12/95/03/664129503.db2.gz SRPPJJCSABVSGF-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953941192 664129506 /nfs/dbraw/zinc/12/95/06/664129506.db2.gz SRPPJJCSABVSGF-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953959523 664130177 /nfs/dbraw/zinc/13/01/77/664130177.db2.gz IMXZVIYSBWYQHZ-JTQLQIEISA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000953959523 664130181 /nfs/dbraw/zinc/13/01/81/664130181.db2.gz IMXZVIYSBWYQHZ-JTQLQIEISA-N 1 1 323.357 -2.177 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953959502 664130214 /nfs/dbraw/zinc/13/02/14/664130214.db2.gz HOYCTAOKEKCSAL-LLVKDONJSA-N 1 1 322.369 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953959502 664130220 /nfs/dbraw/zinc/13/02/20/664130220.db2.gz HOYCTAOKEKCSAL-LLVKDONJSA-N 1 1 322.369 -1.273 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cncn2)C1 ZINC000953959900 664130635 /nfs/dbraw/zinc/13/06/35/664130635.db2.gz UAGPVMNCBZBBNB-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cncn2)C1 ZINC000953959900 664130638 /nfs/dbraw/zinc/13/06/38/664130638.db2.gz UAGPVMNCBZBBNB-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC000953957946 664130740 /nfs/dbraw/zinc/13/07/40/664130740.db2.gz NFPJZLNYOSNKPF-LLVKDONJSA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC000953957946 664130743 /nfs/dbraw/zinc/13/07/43/664130743.db2.gz NFPJZLNYOSNKPF-LLVKDONJSA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000953957762 664130785 /nfs/dbraw/zinc/13/07/85/664130785.db2.gz IMSYKLUTBRIBJA-NSHDSACASA-N 1 1 324.381 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000953957762 664130790 /nfs/dbraw/zinc/13/07/90/664130790.db2.gz IMSYKLUTBRIBJA-NSHDSACASA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953959262 664131054 /nfs/dbraw/zinc/13/10/54/664131054.db2.gz AKKJVTTZCQUZND-NSHDSACASA-N 1 1 323.353 -1.009 20 0 DAADMO Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953959262 664131056 /nfs/dbraw/zinc/13/10/56/664131056.db2.gz AKKJVTTZCQUZND-NSHDSACASA-N 1 1 323.353 -1.009 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000953959538 664131127 /nfs/dbraw/zinc/13/11/27/664131127.db2.gz JAMNJBDPMIQNJH-RFQIPJPRSA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000953959538 664131129 /nfs/dbraw/zinc/13/11/29/664131129.db2.gz JAMNJBDPMIQNJH-RFQIPJPRSA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2ncn(C)n2)C1 ZINC000953958233 664131230 /nfs/dbraw/zinc/13/12/30/664131230.db2.gz RMRJDLAXGXSICO-LLVKDONJSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2ncn(C)n2)C1 ZINC000953958233 664131237 /nfs/dbraw/zinc/13/12/37/664131237.db2.gz RMRJDLAXGXSICO-LLVKDONJSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954108417 664134556 /nfs/dbraw/zinc/13/45/56/664134556.db2.gz ZFTPSYCSEMMRRE-LLVKDONJSA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954193538 664138741 /nfs/dbraw/zinc/13/87/41/664138741.db2.gz OHBOQDPKANJRMU-ONGXEEELSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954193536 664138874 /nfs/dbraw/zinc/13/88/74/664138874.db2.gz OHBOQDPKANJRMU-KOLCDFICSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000954317686 664142525 /nfs/dbraw/zinc/14/25/25/664142525.db2.gz NHJSBUMWSYKULN-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2COCCN2C)C1 ZINC000954315819 664142809 /nfs/dbraw/zinc/14/28/09/664142809.db2.gz JQXMIESWTLCGTJ-GXTWGEPZSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954320667 664142889 /nfs/dbraw/zinc/14/28/89/664142889.db2.gz HKCXRXWLVNSXGW-VIFPVBQESA-N 1 1 307.358 -1.555 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000954321706 664142912 /nfs/dbraw/zinc/14/29/12/664142912.db2.gz SILMXSALOZAOHQ-WCQGTBRESA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC000954318475 664142977 /nfs/dbraw/zinc/14/29/77/664142977.db2.gz UXVHIQBDUHUZHU-JTQLQIEISA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000954324121 664143548 /nfs/dbraw/zinc/14/35/48/664143548.db2.gz SUECDHNCOKXWBS-JQWIXIFHSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000954324678 664143788 /nfs/dbraw/zinc/14/37/88/664143788.db2.gz WLXNNDZDDJVCSW-JQWIXIFHSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954328060 664143940 /nfs/dbraw/zinc/14/39/40/664143940.db2.gz YCYFHXIPUXUPTL-NSHDSACASA-N 1 1 321.337 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000954328058 664143954 /nfs/dbraw/zinc/14/39/54/664143954.db2.gz YCYFHXIPUXUPTL-LLVKDONJSA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000954324123 664143998 /nfs/dbraw/zinc/14/39/98/664143998.db2.gz SUECDHNCOKXWBS-ZYHUDNBSSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000954324683 664144020 /nfs/dbraw/zinc/14/40/20/664144020.db2.gz WLXNNDZDDJVCSW-ZYHUDNBSSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954356436 664145987 /nfs/dbraw/zinc/14/59/87/664145987.db2.gz VAEOBGYTJGIABH-PWSUYJOCSA-N 1 1 321.385 -1.460 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954355591 664146231 /nfs/dbraw/zinc/14/62/31/664146231.db2.gz MVBSNZWZWMZNHI-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954355297 664146366 /nfs/dbraw/zinc/14/63/66/664146366.db2.gz KYASABNFCLKDPZ-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954368855 664147048 /nfs/dbraw/zinc/14/70/48/664147048.db2.gz DSZRDCKQZUOPAM-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954368855 664147052 /nfs/dbraw/zinc/14/70/52/664147052.db2.gz DSZRDCKQZUOPAM-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954372058 664147599 /nfs/dbraw/zinc/14/75/99/664147599.db2.gz YGQTYHOYJJGYMX-LLVKDONJSA-N 1 1 306.370 -1.101 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000954423646 664148145 /nfs/dbraw/zinc/14/81/45/664148145.db2.gz BQJAEGIKLQHRAO-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000954423646 664148149 /nfs/dbraw/zinc/14/81/49/664148149.db2.gz BQJAEGIKLQHRAO-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2ncnn2)n1 ZINC001037007492 664150251 /nfs/dbraw/zinc/15/02/51/664150251.db2.gz IDRVDJLEOKYYKV-UWVGGRQHSA-N 1 1 320.361 -1.729 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2ncnn2)n1 ZINC001037007494 664150499 /nfs/dbraw/zinc/15/04/99/664150499.db2.gz IDRVDJLEOKYYKV-ZJUUUORDSA-N 1 1 320.361 -1.729 20 0 DAADMO CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954659057 664152604 /nfs/dbraw/zinc/15/26/04/664152604.db2.gz IBGLMQAKMIXCOG-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)Cn1ccnc1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954659057 664152610 /nfs/dbraw/zinc/15/26/10/664152610.db2.gz IBGLMQAKMIXCOG-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO Cc1nonc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954666916 664152741 /nfs/dbraw/zinc/15/27/41/664152741.db2.gz SHRZDPQSYMXUAH-LLVKDONJSA-N 1 1 323.353 -1.009 20 0 DAADMO Cc1nonc1C(=O)N(C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954666916 664152747 /nfs/dbraw/zinc/15/27/47/664152747.db2.gz SHRZDPQSYMXUAH-LLVKDONJSA-N 1 1 323.353 -1.009 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954704270 664153613 /nfs/dbraw/zinc/15/36/13/664153613.db2.gz BUEPXAAQZBVGIO-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954706077 664153678 /nfs/dbraw/zinc/15/36/78/664153678.db2.gz IFPWKJIFRHYCMA-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954707045 664154609 /nfs/dbraw/zinc/15/46/09/664154609.db2.gz SEZHNWLEGUNOET-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954797396 664157466 /nfs/dbraw/zinc/15/74/66/664157466.db2.gz DDWBPQCVCHLVJT-UHFFFAOYSA-N 1 1 318.341 -1.302 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954838485 664158445 /nfs/dbraw/zinc/15/84/45/664158445.db2.gz CTLITGBRCZPNHO-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954836344 664158489 /nfs/dbraw/zinc/15/84/89/664158489.db2.gz HHUNSMUVXGOOIL-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954836343 664158690 /nfs/dbraw/zinc/15/86/90/664158690.db2.gz HHUNSMUVXGOOIL-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954915107 664159866 /nfs/dbraw/zinc/15/98/66/664159866.db2.gz NGZYTPJMCXOGFN-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954915107 664159869 /nfs/dbraw/zinc/15/98/69/664159869.db2.gz NGZYTPJMCXOGFN-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954958267 664162185 /nfs/dbraw/zinc/16/21/85/664162185.db2.gz FWQUVGZMCGGLDH-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954962813 664163966 /nfs/dbraw/zinc/16/39/66/664163966.db2.gz LVSQTPZTZMHTDN-NWDGAFQWSA-N 1 1 323.397 -1.227 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC000954965920 664164629 /nfs/dbraw/zinc/16/46/29/664164629.db2.gz WFYWMRDEXNQKRG-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955029187 664166763 /nfs/dbraw/zinc/16/67/63/664166763.db2.gz QSXHHNDPSIUELH-SNVBAGLBSA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955029187 664166766 /nfs/dbraw/zinc/16/67/66/664166766.db2.gz QSXHHNDPSIUELH-SNVBAGLBSA-N 1 1 323.357 -2.177 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3nnn(C)n3)C2)C1 ZINC000955032532 664167621 /nfs/dbraw/zinc/16/76/21/664167621.db2.gz SFMUZMJWNZMQQF-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955033385 664168533 /nfs/dbraw/zinc/16/85/33/664168533.db2.gz NSPWYCNCSMLCLT-UHFFFAOYSA-N 1 1 318.341 -1.302 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955112503 664171353 /nfs/dbraw/zinc/17/13/53/664171353.db2.gz VVUHYZLOZFKCDS-GFCCVEGCSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955112503 664171354 /nfs/dbraw/zinc/17/13/54/664171354.db2.gz VVUHYZLOZFKCDS-GFCCVEGCSA-N 1 1 321.381 -1.048 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955153824 664174761 /nfs/dbraw/zinc/17/47/61/664174761.db2.gz OTYDQHADKXJZRO-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000955154722 664175556 /nfs/dbraw/zinc/17/55/56/664175556.db2.gz DMXIGJGQBLWEOT-LBPRGKRZSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000955157074 664175910 /nfs/dbraw/zinc/17/59/10/664175910.db2.gz ZVUAFPDSBYTAQJ-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955155007 664176079 /nfs/dbraw/zinc/17/60/79/664176079.db2.gz ZQRKTODPJJKYFR-GXSJLCMTSA-N 1 1 309.370 -1.711 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)C2 ZINC000955162784 664177335 /nfs/dbraw/zinc/17/73/35/664177335.db2.gz XHCVBMSXJPOGOX-JTQLQIEISA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000955163642 664178337 /nfs/dbraw/zinc/17/83/37/664178337.db2.gz WVUDKBLPEDYGOD-KOLCDFICSA-N 1 1 310.354 -1.996 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000955163641 664178582 /nfs/dbraw/zinc/17/85/82/664178582.db2.gz WVUDKBLPEDYGOD-GXSJLCMTSA-N 1 1 310.354 -1.996 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955347153 664182149 /nfs/dbraw/zinc/18/21/49/664182149.db2.gz MJUOLWSJIPWJPP-JQWIXIFHSA-N 1 1 321.385 -1.460 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955346296 664182301 /nfs/dbraw/zinc/18/23/01/664182301.db2.gz JOCYPRHJKUFTKS-MWLCHTKSSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955347152 664182342 /nfs/dbraw/zinc/18/23/42/664182342.db2.gz MJUOLWSJIPWJPP-CMPLNLGQSA-N 1 1 321.385 -1.460 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000955350516 664183125 /nfs/dbraw/zinc/18/31/25/664183125.db2.gz LUPVIHIVZVAPJD-NEPJUHHUSA-N 1 1 319.365 -1.018 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955443387 664186106 /nfs/dbraw/zinc/18/61/06/664186106.db2.gz DZWGBYSJXVRQOY-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955443387 664186109 /nfs/dbraw/zinc/18/61/09/664186109.db2.gz DZWGBYSJXVRQOY-CYBMUJFWSA-N 1 1 321.381 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC000955882178 664190343 /nfs/dbraw/zinc/19/03/43/664190343.db2.gz GJVIEDDHVRBRFX-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000956157720 664195599 /nfs/dbraw/zinc/19/55/99/664195599.db2.gz RDIZRVACBLZPRF-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001037112512 664198666 /nfs/dbraw/zinc/19/86/66/664198666.db2.gz PIUYJLQUZUGHMG-NXEZZACHSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2cncn2)n1 ZINC001037127999 664198920 /nfs/dbraw/zinc/19/89/20/664198920.db2.gz MWYXXSPYELNEMF-WDEREUQCSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2cncn2)n1 ZINC001037127995 664199145 /nfs/dbraw/zinc/19/91/45/664199145.db2.gz MWYXXSPYELNEMF-MNOVXSKESA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2ncnn2)C1 ZINC000956775514 664201336 /nfs/dbraw/zinc/20/13/36/664201336.db2.gz JVMDRYHRNGKFBH-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000956938523 664203827 /nfs/dbraw/zinc/20/38/27/664203827.db2.gz YQCHYGITGDMYBS-CZUORRHYSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000956928511 664204099 /nfs/dbraw/zinc/20/40/99/664204099.db2.gz KSYPYCRPYBKGQQ-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000956946376 664204269 /nfs/dbraw/zinc/20/42/69/664204269.db2.gz ICASVRJMAWTIEN-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261012 664204421 /nfs/dbraw/zinc/20/44/21/664204421.db2.gz PBIRUROVBLSAFA-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261012 664204422 /nfs/dbraw/zinc/20/44/22/664204422.db2.gz PBIRUROVBLSAFA-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020507 664204828 /nfs/dbraw/zinc/20/48/28/664204828.db2.gz ZKNGECYCXKGZBG-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020507 664204832 /nfs/dbraw/zinc/20/48/32/664204832.db2.gz ZKNGECYCXKGZBG-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000957393676 664211217 /nfs/dbraw/zinc/21/12/17/664211217.db2.gz WTBLRPUQHCQPKV-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1C[NH+](C[C@@H](C)O)C1 ZINC000957404903 664211927 /nfs/dbraw/zinc/21/19/27/664211927.db2.gz UYHYJPGGOKEKLT-MWLCHTKSSA-N 1 1 305.400 -1.408 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[NH+](CCCO)CC2)C1=O ZINC000957543550 664214945 /nfs/dbraw/zinc/21/49/45/664214945.db2.gz JBLHHWQNENPPAM-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(CCN3C(=O)CNC3=O)CC2)C1 ZINC000957649512 664216245 /nfs/dbraw/zinc/21/62/45/664216245.db2.gz MPIASKONEVEIHW-LBPRGKRZSA-N 1 1 323.397 -1.366 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(CCN3C(=O)CNC3=O)CC2)C1 ZINC000957649511 664216388 /nfs/dbraw/zinc/21/63/88/664216388.db2.gz MPIASKONEVEIHW-GFCCVEGCSA-N 1 1 323.397 -1.366 20 0 DAADMO CC[N@@H+](Cc1nnnn1C)CC1CCN(C(=O)C(N)=O)CC1 ZINC000957746872 664217234 /nfs/dbraw/zinc/21/72/34/664217234.db2.gz IXWNRFTVWPALMB-UHFFFAOYSA-N 1 1 309.374 -1.244 20 0 DAADMO CC[N@H+](Cc1nnnn1C)CC1CCN(C(=O)C(N)=O)CC1 ZINC000957746872 664217238 /nfs/dbraw/zinc/21/72/38/664217238.db2.gz IXWNRFTVWPALMB-UHFFFAOYSA-N 1 1 309.374 -1.244 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000957779140 664218089 /nfs/dbraw/zinc/21/80/89/664218089.db2.gz WXOVWPCJNSTWFT-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000957779140 664218093 /nfs/dbraw/zinc/21/80/93/664218093.db2.gz WXOVWPCJNSTWFT-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC000957788029 664218300 /nfs/dbraw/zinc/21/83/00/664218300.db2.gz JGTACWDWERTMHD-CMPLNLGQSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC000957788029 664218304 /nfs/dbraw/zinc/21/83/04/664218304.db2.gz JGTACWDWERTMHD-CMPLNLGQSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC000957780408 664218347 /nfs/dbraw/zinc/21/83/47/664218347.db2.gz RCLGDRYMADHJKR-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC000957799188 664218796 /nfs/dbraw/zinc/21/87/96/664218796.db2.gz WJWBCSXVHOTBKX-RYUDHWBXSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC000957799186 664218822 /nfs/dbraw/zinc/21/88/22/664218822.db2.gz WJWBCSXVHOTBKX-NEPJUHHUSA-N 1 1 324.381 -1.253 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2CCOCC2)[C@H](O)C1 ZINC000957792589 664219107 /nfs/dbraw/zinc/21/91/07/664219107.db2.gz CUVYJZPWGCAMID-CHWSQXEVSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CCOCC2)[C@H](O)C1 ZINC000957792589 664219109 /nfs/dbraw/zinc/21/91/09/664219109.db2.gz CUVYJZPWGCAMID-CHWSQXEVSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC000957794275 664219209 /nfs/dbraw/zinc/21/92/09/664219209.db2.gz RVVCQJFWOYEHJE-JQWIXIFHSA-N 1 1 310.354 -1.987 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957820527 664219676 /nfs/dbraw/zinc/21/96/76/664219676.db2.gz HCEQZKZLZSIWIA-ZYHUDNBSSA-N 1 1 323.353 -1.388 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957820527 664219679 /nfs/dbraw/zinc/21/96/79/664219679.db2.gz HCEQZKZLZSIWIA-ZYHUDNBSSA-N 1 1 323.353 -1.388 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957833357 664219753 /nfs/dbraw/zinc/21/97/53/664219753.db2.gz AOOYVHRXOHNXLY-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957833357 664219756 /nfs/dbraw/zinc/21/97/56/664219756.db2.gz AOOYVHRXOHNXLY-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957820526 664219941 /nfs/dbraw/zinc/21/99/41/664219941.db2.gz HCEQZKZLZSIWIA-PWSUYJOCSA-N 1 1 323.353 -1.388 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957820526 664219948 /nfs/dbraw/zinc/21/99/48/664219948.db2.gz HCEQZKZLZSIWIA-PWSUYJOCSA-N 1 1 323.353 -1.388 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957841405 664220282 /nfs/dbraw/zinc/22/02/82/664220282.db2.gz CESQJYLVIRYLCV-QWRGUYRKSA-N 1 1 313.354 -1.628 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957841405 664220286 /nfs/dbraw/zinc/22/02/86/664220286.db2.gz CESQJYLVIRYLCV-QWRGUYRKSA-N 1 1 313.354 -1.628 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC000957841582 664220355 /nfs/dbraw/zinc/22/03/55/664220355.db2.gz FSVVPQXPBRUQHI-VXGBXAGGSA-N 1 1 323.353 -1.425 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957846236 664220390 /nfs/dbraw/zinc/22/03/90/664220390.db2.gz GDTRGXLFULUPBH-MWLCHTKSSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957846236 664220394 /nfs/dbraw/zinc/22/03/94/664220394.db2.gz GDTRGXLFULUPBH-MWLCHTKSSA-N 1 1 323.353 -1.707 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842800 664220438 /nfs/dbraw/zinc/22/04/38/664220438.db2.gz PDZBKTZQPNBLKM-NEPJUHHUSA-N 1 1 308.338 -1.912 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842800 664220440 /nfs/dbraw/zinc/22/04/40/664220440.db2.gz PDZBKTZQPNBLKM-NEPJUHHUSA-N 1 1 308.338 -1.912 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957841404 664220603 /nfs/dbraw/zinc/22/06/03/664220603.db2.gz CESQJYLVIRYLCV-MNOVXSKESA-N 1 1 313.354 -1.628 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957841404 664220606 /nfs/dbraw/zinc/22/06/06/664220606.db2.gz CESQJYLVIRYLCV-MNOVXSKESA-N 1 1 313.354 -1.628 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957841403 664220632 /nfs/dbraw/zinc/22/06/32/664220632.db2.gz CESQJYLVIRYLCV-GHMZBOCLSA-N 1 1 313.354 -1.628 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957841403 664220634 /nfs/dbraw/zinc/22/06/34/664220634.db2.gz CESQJYLVIRYLCV-GHMZBOCLSA-N 1 1 313.354 -1.628 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cn1 ZINC000957838457 664220676 /nfs/dbraw/zinc/22/06/76/664220676.db2.gz ODYGOKGGJMYSNM-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cn1 ZINC000957838457 664220678 /nfs/dbraw/zinc/22/06/78/664220678.db2.gz ODYGOKGGJMYSNM-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC000957841580 664220722 /nfs/dbraw/zinc/22/07/22/664220722.db2.gz FSVVPQXPBRUQHI-NWDGAFQWSA-N 1 1 323.353 -1.425 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846237 664220851 /nfs/dbraw/zinc/22/08/51/664220851.db2.gz GDTRGXLFULUPBH-ONGXEEELSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846237 664220853 /nfs/dbraw/zinc/22/08/53/664220853.db2.gz GDTRGXLFULUPBH-ONGXEEELSA-N 1 1 323.353 -1.707 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)cn1 ZINC000957855829 664221251 /nfs/dbraw/zinc/22/12/51/664221251.db2.gz SUIUOQJAWYTWTI-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)cn1 ZINC000957855829 664221253 /nfs/dbraw/zinc/22/12/53/664221253.db2.gz SUIUOQJAWYTWTI-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC000957855713 664221349 /nfs/dbraw/zinc/22/13/49/664221349.db2.gz REBGBQGREKEZIH-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC000957855713 664221354 /nfs/dbraw/zinc/22/13/54/664221354.db2.gz REBGBQGREKEZIH-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878247 664221441 /nfs/dbraw/zinc/22/14/41/664221441.db2.gz JGFYKMMLJDRAJE-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878247 664221443 /nfs/dbraw/zinc/22/14/43/664221443.db2.gz JGFYKMMLJDRAJE-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnsn2)[C@H](O)C1 ZINC000957889838 664222284 /nfs/dbraw/zinc/22/22/84/664222284.db2.gz DUEZSJDYJDHQQJ-PSASIEDQSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnsn2)[C@H](O)C1 ZINC000957889838 664222286 /nfs/dbraw/zinc/22/22/86/664222286.db2.gz DUEZSJDYJDHQQJ-PSASIEDQSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c1 ZINC000957890061 664222322 /nfs/dbraw/zinc/22/23/22/664222322.db2.gz IIAQMDQUWHPESX-VXGBXAGGSA-N 1 1 305.342 -1.276 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957889840 664222592 /nfs/dbraw/zinc/22/25/92/664222592.db2.gz DUEZSJDYJDHQQJ-WCBMZHEXSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957889840 664222596 /nfs/dbraw/zinc/22/25/96/664222596.db2.gz DUEZSJDYJDHQQJ-WCBMZHEXSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c1 ZINC000957890058 664222710 /nfs/dbraw/zinc/22/27/10/664222710.db2.gz IIAQMDQUWHPESX-NEPJUHHUSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898728 664223226 /nfs/dbraw/zinc/22/32/26/664223226.db2.gz RACWYLXUALVOBQ-NEPJUHHUSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898728 664223229 /nfs/dbraw/zinc/22/32/29/664223229.db2.gz RACWYLXUALVOBQ-NEPJUHHUSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898378 664223328 /nfs/dbraw/zinc/22/33/28/664223328.db2.gz ORRUPWHXFQIQHE-JQWIXIFHSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1)N1CCC1 ZINC000957898378 664223332 /nfs/dbraw/zinc/22/33/32/664223332.db2.gz ORRUPWHXFQIQHE-JQWIXIFHSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC000957899106 664223428 /nfs/dbraw/zinc/22/34/28/664223428.db2.gz XAPOFAHDHVXEDJ-RYUDHWBXSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1)NC1CC1 ZINC000957898186 664223487 /nfs/dbraw/zinc/22/34/87/664223487.db2.gz MVZGIBHBIZMMHY-BXKDBHETSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1)NC1CC1 ZINC000957898186 664223496 /nfs/dbraw/zinc/22/34/96/664223496.db2.gz MVZGIBHBIZMMHY-BXKDBHETSA-N 1 1 308.338 -1.024 20 0 DAADMO Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3cn[nH]c3)C2)nc1=O ZINC000957898991 664223521 /nfs/dbraw/zinc/22/35/21/664223521.db2.gz VNWJOUQRYBMLAM-ZJUUUORDSA-N 1 1 321.341 -1.946 20 0 DAADMO Cn1[n-]c(CN2C[C@@H](CNC(=O)c3cn[nH]c3)[C@H](O)C2)nc1=O ZINC000957898988 664223558 /nfs/dbraw/zinc/22/35/58/664223558.db2.gz VNWJOUQRYBMLAM-NXEZZACHSA-N 1 1 321.341 -1.946 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898729 664223624 /nfs/dbraw/zinc/22/36/24/664223624.db2.gz RACWYLXUALVOBQ-NWDGAFQWSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898729 664223626 /nfs/dbraw/zinc/22/36/26/664223626.db2.gz RACWYLXUALVOBQ-NWDGAFQWSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898189 664223653 /nfs/dbraw/zinc/22/36/53/664223653.db2.gz MVZGIBHBIZMMHY-JOYOIKCWSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898189 664223656 /nfs/dbraw/zinc/22/36/56/664223656.db2.gz MVZGIBHBIZMMHY-JOYOIKCWSA-N 1 1 308.338 -1.024 20 0 DAADMO Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)nc1=O ZINC000957898989 664223757 /nfs/dbraw/zinc/22/37/57/664223757.db2.gz VNWJOUQRYBMLAM-UWVGGRQHSA-N 1 1 321.341 -1.946 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC000957895560 664223868 /nfs/dbraw/zinc/22/38/68/664223868.db2.gz YMESHGGDHJEGRE-ZYHUDNBSSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC000957895560 664223870 /nfs/dbraw/zinc/22/38/70/664223870.db2.gz YMESHGGDHJEGRE-ZYHUDNBSSA-N 1 1 307.354 -1.336 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 ZINC000957905136 664224547 /nfs/dbraw/zinc/22/45/47/664224547.db2.gz DKPCOYFKBMRYQV-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnn2C)C1 ZINC000957905136 664224549 /nfs/dbraw/zinc/22/45/49/664224549.db2.gz DKPCOYFKBMRYQV-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957905642 664224644 /nfs/dbraw/zinc/22/46/44/664224644.db2.gz LOQQGMNEBXGAOL-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957905642 664224647 /nfs/dbraw/zinc/22/46/47/664224647.db2.gz LOQQGMNEBXGAOL-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2C)C1 ZINC000957902359 664224900 /nfs/dbraw/zinc/22/49/00/664224900.db2.gz QAZLXBIWXNJREK-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2C)C1 ZINC000957902359 664224902 /nfs/dbraw/zinc/22/49/02/664224902.db2.gz QAZLXBIWXNJREK-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914934 664225246 /nfs/dbraw/zinc/22/52/46/664225246.db2.gz OCJTYZMKSKAKIB-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914934 664225252 /nfs/dbraw/zinc/22/52/52/664225252.db2.gz OCJTYZMKSKAKIB-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cocn1 ZINC000957925637 664225435 /nfs/dbraw/zinc/22/54/35/664225435.db2.gz DHVSHQRXMRPXFR-JQWIXIFHSA-N 1 1 323.353 -1.278 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cocn1 ZINC000957925636 664225694 /nfs/dbraw/zinc/22/56/94/664225694.db2.gz DHVSHQRXMRPXFR-CMPLNLGQSA-N 1 1 323.353 -1.278 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]1 ZINC000957930080 664226188 /nfs/dbraw/zinc/22/61/88/664226188.db2.gz DOKFNYAFLZGHCM-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]1 ZINC000957930080 664226190 /nfs/dbraw/zinc/22/61/90/664226190.db2.gz DOKFNYAFLZGHCM-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957939023 664226201 /nfs/dbraw/zinc/22/62/01/664226201.db2.gz FYFMTPQAAWTUKB-UWVGGRQHSA-N 1 1 322.369 -1.831 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957939023 664226204 /nfs/dbraw/zinc/22/62/04/664226204.db2.gz FYFMTPQAAWTUKB-UWVGGRQHSA-N 1 1 322.369 -1.831 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cocn1 ZINC000957929568 664226674 /nfs/dbraw/zinc/22/66/74/664226674.db2.gz AFBSWPKKVBGZOW-CMPLNLGQSA-N 1 1 306.326 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957939025 664226792 /nfs/dbraw/zinc/22/67/92/664226792.db2.gz FYFMTPQAAWTUKB-ZJUUUORDSA-N 1 1 322.369 -1.831 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957939025 664226799 /nfs/dbraw/zinc/22/67/99/664226799.db2.gz FYFMTPQAAWTUKB-ZJUUUORDSA-N 1 1 322.369 -1.831 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncc2F)C1 ZINC000957940329 664227016 /nfs/dbraw/zinc/22/70/16/664227016.db2.gz QQMACEWTAMUFER-SKDRFNHKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncc2F)C1 ZINC000957940329 664227018 /nfs/dbraw/zinc/22/70/18/664227018.db2.gz QQMACEWTAMUFER-SKDRFNHKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953313 664227360 /nfs/dbraw/zinc/22/73/60/664227360.db2.gz LHZUOYXWLWONMC-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953313 664227362 /nfs/dbraw/zinc/22/73/62/664227362.db2.gz LHZUOYXWLWONMC-UWVGGRQHSA-N 1 1 310.358 -2.108 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958192 664227375 /nfs/dbraw/zinc/22/73/75/664227375.db2.gz UWEUPQPYSKFGDI-QWRGUYRKSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958192 664227377 /nfs/dbraw/zinc/22/73/77/664227377.db2.gz UWEUPQPYSKFGDI-QWRGUYRKSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943114 664227386 /nfs/dbraw/zinc/22/73/86/664227386.db2.gz BSTUIYFRJKQVAA-CMPLNLGQSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943114 664227389 /nfs/dbraw/zinc/22/73/89/664227389.db2.gz BSTUIYFRJKQVAA-CMPLNLGQSA-N 1 1 310.329 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983016 664228241 /nfs/dbraw/zinc/22/82/41/664228241.db2.gz PQNABMGJNCBRSO-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC000957983016 664228243 /nfs/dbraw/zinc/22/82/43/664228243.db2.gz PQNABMGJNCBRSO-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000957992556 664228936 /nfs/dbraw/zinc/22/89/36/664228936.db2.gz XRZAERHUIMOUIV-KOLCDFICSA-N 1 1 308.338 -1.444 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997417 664229110 /nfs/dbraw/zinc/22/91/10/664229110.db2.gz YFSFCXQFRCPSES-KOLCDFICSA-N 1 1 324.385 -1.887 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997417 664229113 /nfs/dbraw/zinc/22/91/13/664229113.db2.gz YFSFCXQFRCPSES-KOLCDFICSA-N 1 1 324.385 -1.887 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)ncn1 ZINC000957986167 664229504 /nfs/dbraw/zinc/22/95/04/664229504.db2.gz MZNUIKCDNOPIRJ-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)ncn1 ZINC000957986167 664229507 /nfs/dbraw/zinc/22/95/07/664229507.db2.gz MZNUIKCDNOPIRJ-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997200 664229571 /nfs/dbraw/zinc/22/95/71/664229571.db2.gz WUZCUSGMDNWBRX-SCZZXKLOSA-N 1 1 310.358 -2.229 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997200 664229572 /nfs/dbraw/zinc/22/95/72/664229572.db2.gz WUZCUSGMDNWBRX-SCZZXKLOSA-N 1 1 310.358 -2.229 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995791 664229592 /nfs/dbraw/zinc/22/95/92/664229592.db2.gz PBHNBFFNVPBJST-STQMWFEESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995791 664229597 /nfs/dbraw/zinc/22/95/97/664229597.db2.gz PBHNBFFNVPBJST-STQMWFEESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F)N1CCNC(=O)C1 ZINC000958012431 664229927 /nfs/dbraw/zinc/22/99/27/664229927.db2.gz GASPTZHYTAIBCL-VROVMSAKSA-N 1 1 316.308 -1.744 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F)N1CCNC(=O)C1 ZINC000958012431 664229929 /nfs/dbraw/zinc/22/99/29/664229929.db2.gz GASPTZHYTAIBCL-VROVMSAKSA-N 1 1 316.308 -1.744 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958011318 664230289 /nfs/dbraw/zinc/23/02/89/664230289.db2.gz WIGLFRHEJAGQTQ-RYUDHWBXSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958011318 664230293 /nfs/dbraw/zinc/23/02/93/664230293.db2.gz WIGLFRHEJAGQTQ-RYUDHWBXSA-N 1 1 321.381 -1.104 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 ZINC000958000090 664230405 /nfs/dbraw/zinc/23/04/05/664230405.db2.gz SGVRCYNHNJZWPH-NEPJUHHUSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 ZINC000958000090 664230408 /nfs/dbraw/zinc/23/04/08/664230408.db2.gz SGVRCYNHNJZWPH-NEPJUHHUSA-N 1 1 307.354 -1.413 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC000958010860 664230460 /nfs/dbraw/zinc/23/04/60/664230460.db2.gz PJDSWNKKDUJNAY-GHMZBOCLSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nccc(C)n2)[C@H](O)C1 ZINC000958010860 664230461 /nfs/dbraw/zinc/23/04/61/664230461.db2.gz PJDSWNKKDUJNAY-GHMZBOCLSA-N 1 1 307.354 -1.446 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958011317 664230513 /nfs/dbraw/zinc/23/05/13/664230513.db2.gz WIGLFRHEJAGQTQ-NWDGAFQWSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958011317 664230514 /nfs/dbraw/zinc/23/05/14/664230514.db2.gz WIGLFRHEJAGQTQ-NWDGAFQWSA-N 1 1 321.381 -1.104 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958019315 664230537 /nfs/dbraw/zinc/23/05/37/664230537.db2.gz AICFHLVYAKECST-GHMZBOCLSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958019315 664230539 /nfs/dbraw/zinc/23/05/39/664230539.db2.gz AICFHLVYAKECST-GHMZBOCLSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC000958000190 664230557 /nfs/dbraw/zinc/23/05/57/664230557.db2.gz VCPYLDKAYRHCJN-BXKDBHETSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(F)cn2)[C@H](O)C1 ZINC000958000190 664230558 /nfs/dbraw/zinc/23/05/58/664230558.db2.gz VCPYLDKAYRHCJN-BXKDBHETSA-N 1 1 310.329 -1.011 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958024487 664230956 /nfs/dbraw/zinc/23/09/56/664230956.db2.gz FCRFJBPAEYHFDO-GHMZBOCLSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958019808 664230992 /nfs/dbraw/zinc/23/09/92/664230992.db2.gz FTYJYTRVPXWDCD-ZYHUDNBSSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958019808 664230996 /nfs/dbraw/zinc/23/09/96/664230996.db2.gz FTYJYTRVPXWDCD-ZYHUDNBSSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC000958019888 664231055 /nfs/dbraw/zinc/23/10/55/664231055.db2.gz GIFUAGXTMISONT-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1)N1CCNC(=O)C1 ZINC000958019630 664231305 /nfs/dbraw/zinc/23/13/05/664231305.db2.gz YYYSBCJLJQMGOJ-YABSGUDNSA-N 1 1 306.366 -1.599 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1)N1CCNC(=O)C1 ZINC000958019630 664231307 /nfs/dbraw/zinc/23/13/07/664231307.db2.gz YYYSBCJLJQMGOJ-YABSGUDNSA-N 1 1 306.366 -1.599 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958030877 664231684 /nfs/dbraw/zinc/23/16/84/664231684.db2.gz MDPPDAWILSPQNH-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958030877 664231687 /nfs/dbraw/zinc/23/16/87/664231687.db2.gz MDPPDAWILSPQNH-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](CNC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC000958035143 664232064 /nfs/dbraw/zinc/23/20/64/664232064.db2.gz ABMGIVNVPYZPGR-DGCLKSJQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958030875 664232221 /nfs/dbraw/zinc/23/22/21/664232221.db2.gz MDPPDAWILSPQNH-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958030875 664232224 /nfs/dbraw/zinc/23/22/24/664232224.db2.gz MDPPDAWILSPQNH-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958036454 664232741 /nfs/dbraw/zinc/23/27/41/664232741.db2.gz PWBJOCUIOKDGEX-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958036454 664232745 /nfs/dbraw/zinc/23/27/45/664232745.db2.gz PWBJOCUIOKDGEX-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035633 664232779 /nfs/dbraw/zinc/23/27/79/664232779.db2.gz IRFLFWVRPVBUKK-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035633 664232783 /nfs/dbraw/zinc/23/27/83/664232783.db2.gz IRFLFWVRPVBUKK-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC000958035886 664232992 /nfs/dbraw/zinc/23/29/92/664232992.db2.gz KPPAQXGFGHSBJJ-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)nn1 ZINC000958035886 664232996 /nfs/dbraw/zinc/23/29/96/664232996.db2.gz KPPAQXGFGHSBJJ-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](Cc3cncn3C)C[C@@H]2O)nn1 ZINC000958036526 664233021 /nfs/dbraw/zinc/23/30/21/664233021.db2.gz QQMBTIHLLDJIRG-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2O)nn1 ZINC000958036526 664233023 /nfs/dbraw/zinc/23/30/23/664233023.db2.gz QQMBTIHLLDJIRG-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958036455 664233254 /nfs/dbraw/zinc/23/32/54/664233254.db2.gz PWBJOCUIOKDGEX-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958036455 664233259 /nfs/dbraw/zinc/23/32/59/664233259.db2.gz PWBJOCUIOKDGEX-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC000958036693 664233902 /nfs/dbraw/zinc/23/39/02/664233902.db2.gz SKUYJEWJJBYLFJ-ZYHUDNBSSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958036737 664234028 /nfs/dbraw/zinc/23/40/28/664234028.db2.gz SYWLJUJYVMCBPY-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958036737 664234029 /nfs/dbraw/zinc/23/40/29/664234029.db2.gz SYWLJUJYVMCBPY-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050747 664234450 /nfs/dbraw/zinc/23/44/50/664234450.db2.gz DLQIBXVXITYQPD-KOLCDFICSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050747 664234453 /nfs/dbraw/zinc/23/44/53/664234453.db2.gz DLQIBXVXITYQPD-KOLCDFICSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC000958051491 664234800 /nfs/dbraw/zinc/23/48/00/664234800.db2.gz PRARYFSPDSNCGW-GHMZBOCLSA-N 1 1 322.369 -1.543 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958062232 664235342 /nfs/dbraw/zinc/23/53/42/664235342.db2.gz FNGNEWULAIDBJM-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958062232 664235346 /nfs/dbraw/zinc/23/53/46/664235346.db2.gz FNGNEWULAIDBJM-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958061377 664235422 /nfs/dbraw/zinc/23/54/22/664235422.db2.gz AUQPMEHTKFUGAN-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958061377 664235424 /nfs/dbraw/zinc/23/54/24/664235424.db2.gz AUQPMEHTKFUGAN-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076882 664235740 /nfs/dbraw/zinc/23/57/40/664235740.db2.gz MKHPKFRZLSGNBJ-KOLCDFICSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076882 664235741 /nfs/dbraw/zinc/23/57/41/664235741.db2.gz MKHPKFRZLSGNBJ-KOLCDFICSA-N 1 1 307.354 -1.663 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078121 664235753 /nfs/dbraw/zinc/23/57/53/664235753.db2.gz ZPZZCYWXJWMJEY-JQWIXIFHSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078121 664235754 /nfs/dbraw/zinc/23/57/54/664235754.db2.gz ZPZZCYWXJWMJEY-JQWIXIFHSA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc2n[nH]nc21 ZINC000958082092 664235760 /nfs/dbraw/zinc/23/57/60/664235760.db2.gz VFYBHJCLRRDKKU-JOYOIKCWSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cncc2[nH]cnc21 ZINC000958082024 664235795 /nfs/dbraw/zinc/23/57/95/664235795.db2.gz UPQHIADTXDMCCO-JOYOIKCWSA-N 1 1 305.338 -1.027 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC000958073875 664235805 /nfs/dbraw/zinc/23/58/05/664235805.db2.gz NXPASZLRCJSTLK-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ncn1 ZINC000958073875 664235807 /nfs/dbraw/zinc/23/58/07/664235807.db2.gz NXPASZLRCJSTLK-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073975 664235864 /nfs/dbraw/zinc/23/58/64/664235864.db2.gz OTAQRNLBXFVHKB-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073975 664235868 /nfs/dbraw/zinc/23/58/68/664235868.db2.gz OTAQRNLBXFVHKB-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958065127 664235961 /nfs/dbraw/zinc/23/59/61/664235961.db2.gz YNHZMAVWSKANLB-CMPLNLGQSA-N 1 1 313.358 -2.061 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958076831 664236034 /nfs/dbraw/zinc/23/60/34/664236034.db2.gz LOJDGIGGFAYMAA-VHSXEESVSA-N 1 1 312.374 -1.557 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ncn1 ZINC000958073938 664236101 /nfs/dbraw/zinc/23/61/01/664236101.db2.gz OMTCRUCTZZZTRP-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958068181 664236151 /nfs/dbraw/zinc/23/61/51/664236151.db2.gz FUAMBCGVUKYCAD-WCQYABFASA-N 1 1 323.397 -1.053 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958069972 664236212 /nfs/dbraw/zinc/23/62/12/664236212.db2.gz TTZJXMOSJVUPSF-CMPLNLGQSA-N 1 1 309.370 -1.443 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC000958073874 664236318 /nfs/dbraw/zinc/23/63/18/664236318.db2.gz NXPASZLRCJSTLK-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC000958073874 664236325 /nfs/dbraw/zinc/23/63/25/664236325.db2.gz NXPASZLRCJSTLK-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090687 664236577 /nfs/dbraw/zinc/23/65/77/664236577.db2.gz BHTCXTFGOCHUOG-SCZZXKLOSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090687 664236580 /nfs/dbraw/zinc/23/65/80/664236580.db2.gz BHTCXTFGOCHUOG-SCZZXKLOSA-N 1 1 319.325 -2.368 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958091805 664236639 /nfs/dbraw/zinc/23/66/39/664236639.db2.gz JRGRXDUFSMRSAY-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958091805 664236641 /nfs/dbraw/zinc/23/66/41/664236641.db2.gz JRGRXDUFSMRSAY-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)nnc2C)[C@H](O)C1 ZINC000958085820 664236810 /nfs/dbraw/zinc/23/68/10/664236810.db2.gz KNBHLAVVTRYGCC-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)nnc2C)[C@H](O)C1 ZINC000958085820 664236814 /nfs/dbraw/zinc/23/68/14/664236814.db2.gz KNBHLAVVTRYGCC-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958096390 664237339 /nfs/dbraw/zinc/23/73/39/664237339.db2.gz LNIVESYGKRUQQX-GXSJLCMTSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958096390 664237341 /nfs/dbraw/zinc/23/73/41/664237341.db2.gz LNIVESYGKRUQQX-GXSJLCMTSA-N 1 1 308.375 -1.201 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958113702 664237512 /nfs/dbraw/zinc/23/75/12/664237512.db2.gz ZUMHDQOZQNDHOX-GWCFXTLKSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958113702 664237518 /nfs/dbraw/zinc/23/75/18/664237518.db2.gz ZUMHDQOZQNDHOX-GWCFXTLKSA-N 1 1 321.381 -1.195 20 0 DAADMO CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958111238 664237535 /nfs/dbraw/zinc/23/75/35/664237535.db2.gz MZIUCKCZASDMQY-NWDGAFQWSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958111238 664237540 /nfs/dbraw/zinc/23/75/40/664237540.db2.gz MZIUCKCZASDMQY-NWDGAFQWSA-N 1 1 322.365 -1.012 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2[nH]cnc2c1 ZINC000958106729 664237626 /nfs/dbraw/zinc/23/76/26/664237626.db2.gz XBJWLYHEUBWSON-JQWIXIFHSA-N 1 1 305.338 -1.027 20 0 DAADMO CCCn1nccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958105188 664237868 /nfs/dbraw/zinc/23/78/68/664237868.db2.gz FNTXVQWZGKFRPZ-JQWIXIFHSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958105188 664237871 /nfs/dbraw/zinc/23/78/71/664237871.db2.gz FNTXVQWZGKFRPZ-JQWIXIFHSA-N 1 1 309.370 -1.199 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)[C@H](O)C1 ZINC000958121925 664237948 /nfs/dbraw/zinc/23/79/48/664237948.db2.gz NKWBJMOBSBLPDS-GMSGAONNSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)[C@H](O)C1 ZINC000958121925 664237950 /nfs/dbraw/zinc/23/79/50/664237950.db2.gz NKWBJMOBSBLPDS-GMSGAONNSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC000958121913 664238052 /nfs/dbraw/zinc/23/80/52/664238052.db2.gz NHZNTCDXSPZNMD-BXKDBHETSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC000958121913 664238055 /nfs/dbraw/zinc/23/80/55/664238055.db2.gz NHZNTCDXSPZNMD-BXKDBHETSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)[C@H](O)C1 ZINC000958105805 664238091 /nfs/dbraw/zinc/23/80/91/664238091.db2.gz MAUAKVBNBSCILR-MWLCHTKSSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)[C@H](O)C1 ZINC000958105805 664238092 /nfs/dbraw/zinc/23/80/92/664238092.db2.gz MAUAKVBNBSCILR-MWLCHTKSSA-N 1 1 318.337 -1.534 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958131298 664238255 /nfs/dbraw/zinc/23/82/55/664238255.db2.gz RRCPSEPXTLKYPE-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958131298 664238263 /nfs/dbraw/zinc/23/82/63/664238263.db2.gz RRCPSEPXTLKYPE-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958135687 664238307 /nfs/dbraw/zinc/23/83/07/664238307.db2.gz RERYZJQWVQNSFH-ZJUUUORDSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958135687 664238311 /nfs/dbraw/zinc/23/83/11/664238311.db2.gz RERYZJQWVQNSFH-ZJUUUORDSA-N 1 1 310.358 -1.886 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136059 664238498 /nfs/dbraw/zinc/23/84/98/664238498.db2.gz XRUGLMWNOQRUQQ-SKDRFNHKSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136059 664238500 /nfs/dbraw/zinc/23/85/00/664238500.db2.gz XRUGLMWNOQRUQQ-SKDRFNHKSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134464 664238522 /nfs/dbraw/zinc/23/85/22/664238522.db2.gz DLLRMSMBKJMCOX-WPRPVWTQSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134464 664238525 /nfs/dbraw/zinc/23/85/25/664238525.db2.gz DLLRMSMBKJMCOX-WPRPVWTQSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134725 664238687 /nfs/dbraw/zinc/23/86/87/664238687.db2.gz HOFSHYVGEXCENW-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134725 664238689 /nfs/dbraw/zinc/23/86/89/664238689.db2.gz HOFSHYVGEXCENW-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3ncccc23)[C@H](O)C1 ZINC000958136056 664238713 /nfs/dbraw/zinc/23/87/13/664238713.db2.gz XRUGLMWNOQRUQQ-BXKDBHETSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3ncccc23)[C@H](O)C1 ZINC000958136056 664238715 /nfs/dbraw/zinc/23/87/15/664238715.db2.gz XRUGLMWNOQRUQQ-BXKDBHETSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC000958134079 664238975 /nfs/dbraw/zinc/23/89/75/664238975.db2.gz AWSONYRWJAHUSH-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958127530 664239068 /nfs/dbraw/zinc/23/90/68/664239068.db2.gz ZQCNQPNXDKAIAN-ONGXEEELSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958127530 664239071 /nfs/dbraw/zinc/23/90/71/664239071.db2.gz ZQCNQPNXDKAIAN-ONGXEEELSA-N 1 1 324.385 -1.459 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125720 664239092 /nfs/dbraw/zinc/23/90/92/664239092.db2.gz AUVVCBFQWDMENA-SKDRFNHKSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125720 664239096 /nfs/dbraw/zinc/23/90/96/664239096.db2.gz AUVVCBFQWDMENA-SKDRFNHKSA-N 1 1 307.354 -1.663 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC000958149608 664239717 /nfs/dbraw/zinc/23/97/17/664239717.db2.gz UMYCQLSYGJVVOO-ZYHUDNBSSA-N 1 1 320.353 -1.242 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149190 664239723 /nfs/dbraw/zinc/23/97/23/664239723.db2.gz OYNCSVAGZFQCGG-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149190 664239725 /nfs/dbraw/zinc/23/97/25/664239725.db2.gz OYNCSVAGZFQCGG-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958149293 664239749 /nfs/dbraw/zinc/23/97/49/664239749.db2.gz QTEYRILQBZUVAP-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958149293 664239754 /nfs/dbraw/zinc/23/97/54/664239754.db2.gz QTEYRILQBZUVAP-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958149294 664239759 /nfs/dbraw/zinc/23/97/59/664239759.db2.gz QTEYRILQBZUVAP-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958149294 664239761 /nfs/dbraw/zinc/23/97/61/664239761.db2.gz QTEYRILQBZUVAP-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2ncccc12 ZINC000958140315 664239859 /nfs/dbraw/zinc/23/98/59/664239859.db2.gz RGGXGZJPOKDGTP-ZWNOBZJWSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC000958148578 664239945 /nfs/dbraw/zinc/23/99/45/664239945.db2.gz JALNXGPYGWORSE-CMPLNLGQSA-N 1 1 310.354 -1.815 20 0 DAADMO Cn1cnc2cncc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC000958151043 664240155 /nfs/dbraw/zinc/24/01/55/664240155.db2.gz DENKPQVVFBLXCL-MFKMUULPSA-N 1 1 319.365 -1.017 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c(cn1)OCCO2 ZINC000958150149 664240206 /nfs/dbraw/zinc/24/02/06/664240206.db2.gz ZIFIYKAYZVTZQB-CMPLNLGQSA-N 1 1 323.349 -1.132 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150186 664240228 /nfs/dbraw/zinc/24/02/28/664240228.db2.gz ZPJUKROOSDXENC-JQWIXIFHSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150186 664240230 /nfs/dbraw/zinc/24/02/30/664240230.db2.gz ZPJUKROOSDXENC-JQWIXIFHSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC000958150188 664240289 /nfs/dbraw/zinc/24/02/89/664240289.db2.gz ZPJUKROOSDXENC-ZYHUDNBSSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC000958150188 664240292 /nfs/dbraw/zinc/24/02/92/664240292.db2.gz ZPJUKROOSDXENC-ZYHUDNBSSA-N 1 1 321.381 -1.402 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n2CCOC3)[C@H](O)C1 ZINC000958154330 664240306 /nfs/dbraw/zinc/24/03/06/664240306.db2.gz ZGXXMMXTLISOCM-MWLCHTKSSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n2CCOC3)[C@H](O)C1 ZINC000958154330 664240309 /nfs/dbraw/zinc/24/03/09/664240309.db2.gz ZGXXMMXTLISOCM-MWLCHTKSSA-N 1 1 323.353 -2.079 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000958153078 664240362 /nfs/dbraw/zinc/24/03/62/664240362.db2.gz QIGORFNUVQHUGT-RBPQBLHMSA-N 1 1 303.322 -1.269 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c(cn1)OCCO2 ZINC000958150151 664240390 /nfs/dbraw/zinc/24/03/90/664240390.db2.gz ZIFIYKAYZVTZQB-PWSUYJOCSA-N 1 1 323.349 -1.132 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000958167740 664240791 /nfs/dbraw/zinc/24/07/91/664240791.db2.gz OUZAWPZFLRCPRG-PSASIEDQSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000958167740 664240793 /nfs/dbraw/zinc/24/07/93/664240793.db2.gz OUZAWPZFLRCPRG-PSASIEDQSA-N 1 1 309.326 -2.049 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160692 664240832 /nfs/dbraw/zinc/24/08/32/664240832.db2.gz DQZODADJNWHBBL-MFKMUULPSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160692 664240838 /nfs/dbraw/zinc/24/08/38/664240838.db2.gz DQZODADJNWHBBL-MFKMUULPSA-N 1 1 321.381 -1.273 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958164000 664241098 /nfs/dbraw/zinc/24/10/98/664241098.db2.gz HVKWVMVQDHJIFS-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958164000 664241102 /nfs/dbraw/zinc/24/11/02/664241102.db2.gz HVKWVMVQDHJIFS-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC000958168898 664241763 /nfs/dbraw/zinc/24/17/63/664241763.db2.gz ZIUDJCQMXASFKJ-QWRGUYRKSA-N 1 1 320.353 -1.552 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958181063 664241805 /nfs/dbraw/zinc/24/18/05/664241805.db2.gz GRWOFKYEZULFNF-IWIIMEHWSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958181063 664241809 /nfs/dbraw/zinc/24/18/09/664241809.db2.gz GRWOFKYEZULFNF-IWIIMEHWSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nc[nH]c2n1 ZINC000958179484 664241829 /nfs/dbraw/zinc/24/18/29/664241829.db2.gz NQWXRGUNUWPVMN-JOYOIKCWSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176841 664241901 /nfs/dbraw/zinc/24/19/01/664241901.db2.gz ZGVDQVOWSZUYKW-WDEREUQCSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176841 664241905 /nfs/dbraw/zinc/24/19/05/664241905.db2.gz ZGVDQVOWSZUYKW-WDEREUQCSA-N 1 1 318.337 -1.534 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000958180999 664242050 /nfs/dbraw/zinc/24/20/50/664242050.db2.gz GCQZVDBFALOSRE-PJXYFTJBSA-N 1 1 302.342 -1.384 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180044 664242087 /nfs/dbraw/zinc/24/20/87/664242087.db2.gz XJDDLPNKUAOUFA-KWQFWETISA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180044 664242089 /nfs/dbraw/zinc/24/20/89/664242089.db2.gz XJDDLPNKUAOUFA-KWQFWETISA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176840 664242101 /nfs/dbraw/zinc/24/21/01/664242101.db2.gz ZGVDQVOWSZUYKW-QWRGUYRKSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958176840 664242103 /nfs/dbraw/zinc/24/21/03/664242103.db2.gz ZGVDQVOWSZUYKW-QWRGUYRKSA-N 1 1 318.337 -1.534 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)nn2c1 ZINC000958168899 664242124 /nfs/dbraw/zinc/24/21/24/664242124.db2.gz ZIUDJCQMXASFKJ-WDEREUQCSA-N 1 1 320.353 -1.552 20 0 DAADMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)on1 ZINC000958180522 664242201 /nfs/dbraw/zinc/24/22/01/664242201.db2.gz AADWVEVKZFJPLI-IWIIMEHWSA-N 1 1 319.325 -1.084 20 0 DAADMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)on1 ZINC000958180522 664242206 /nfs/dbraw/zinc/24/22/06/664242206.db2.gz AADWVEVKZFJPLI-IWIIMEHWSA-N 1 1 319.325 -1.084 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC000958182680 664242649 /nfs/dbraw/zinc/24/26/49/664242649.db2.gz FADNQUAMTOOVJS-QWHCGFSZSA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)ccc21 ZINC000958183802 664242687 /nfs/dbraw/zinc/24/26/87/664242687.db2.gz QPSBWVHXVIUAGM-BXUZGUMPSA-N 1 1 319.365 -1.017 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000958184399 664242893 /nfs/dbraw/zinc/24/28/93/664242893.db2.gz ADVXLWZYCGTJNO-YABSGUDNSA-N 1 1 319.369 -1.658 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958192729 664243071 /nfs/dbraw/zinc/24/30/71/664243071.db2.gz IDAOXNDNGHRHIR-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958192729 664243072 /nfs/dbraw/zinc/24/30/72/664243072.db2.gz IDAOXNDNGHRHIR-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1Cl ZINC000958187174 664243133 /nfs/dbraw/zinc/24/31/33/664243133.db2.gz MQBMRNLLJUBSGU-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1Cl ZINC000958187174 664243139 /nfs/dbraw/zinc/24/31/39/664243139.db2.gz MQBMRNLLJUBSGU-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191056 664243300 /nfs/dbraw/zinc/24/33/00/664243300.db2.gz RVMLVKYRIQATNX-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191056 664243302 /nfs/dbraw/zinc/24/33/02/664243302.db2.gz RVMLVKYRIQATNX-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958185360 664243311 /nfs/dbraw/zinc/24/33/11/664243311.db2.gz QOYQFOHSLSKOLI-SVDPJWKOSA-N 1 1 307.358 -1.804 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)C1=O ZINC000958184906 664243383 /nfs/dbraw/zinc/24/33/83/664243383.db2.gz JAEKVOZOTXDERX-ZAZJYDDPSA-N 1 1 320.393 -1.114 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1)C1CC1 ZINC000958193018 664243532 /nfs/dbraw/zinc/24/35/32/664243532.db2.gz MLYLJWUSOMLWEG-YABSGUDNSA-N 1 1 319.369 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958200834 664243960 /nfs/dbraw/zinc/24/39/60/664243960.db2.gz OSANLZMZLBWHBG-KZWBYHQPSA-N 1 1 308.382 -1.210 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958201493 664243977 /nfs/dbraw/zinc/24/39/77/664243977.db2.gz WLDFWKJQDFRKQT-ATCWAGBWSA-N 1 1 320.393 -1.113 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CCF)c2)[C@H](O)C1 ZINC000958195655 664244173 /nfs/dbraw/zinc/24/41/73/664244173.db2.gz INYCMJHSUWIHQT-MWLCHTKSSA-N 1 1 313.333 -1.640 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CCF)c2)[C@H](O)C1 ZINC000958195655 664244179 /nfs/dbraw/zinc/24/41/79/664244179.db2.gz INYCMJHSUWIHQT-MWLCHTKSSA-N 1 1 313.333 -1.640 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958201581 664244317 /nfs/dbraw/zinc/24/43/17/664244317.db2.gz XYQHPCFTMIRMQY-JYAVWHMHSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958201581 664244319 /nfs/dbraw/zinc/24/43/19/664244319.db2.gz XYQHPCFTMIRMQY-JYAVWHMHSA-N 1 1 318.381 -1.016 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]n1 ZINC000958200691 664244330 /nfs/dbraw/zinc/24/43/30/664244330.db2.gz SOANUFQCIYKDJA-JQWIXIFHSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958200691 664244334 /nfs/dbraw/zinc/24/43/34/664244334.db2.gz SOANUFQCIYKDJA-JQWIXIFHSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958200691 664244336 /nfs/dbraw/zinc/24/43/36/664244336.db2.gz SOANUFQCIYKDJA-JQWIXIFHSA-N 1 1 305.342 -1.276 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958203134 664245198 /nfs/dbraw/zinc/24/51/98/664245198.db2.gz NLGGBHADNJHGJC-CABZTGNLSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958203134 664245202 /nfs/dbraw/zinc/24/52/02/664245202.db2.gz NLGGBHADNJHGJC-CABZTGNLSA-N 1 1 309.370 -1.130 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]n1 ZINC000958206867 664245361 /nfs/dbraw/zinc/24/53/61/664245361.db2.gz OISIPYBTTDEPBV-ZYHUDNBSSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206867 664245364 /nfs/dbraw/zinc/24/53/64/664245364.db2.gz OISIPYBTTDEPBV-ZYHUDNBSSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206867 664245369 /nfs/dbraw/zinc/24/53/69/664245369.db2.gz OISIPYBTTDEPBV-ZYHUDNBSSA-N 1 1 322.369 -1.550 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 ZINC000958205708 664245641 /nfs/dbraw/zinc/24/56/41/664245641.db2.gz DBCQYLAJPYNLHD-BXKDBHETSA-N 1 1 321.381 -1.204 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 ZINC000958205708 664245643 /nfs/dbraw/zinc/24/56/43/664245643.db2.gz DBCQYLAJPYNLHD-BXKDBHETSA-N 1 1 321.381 -1.204 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC000958206520 664245649 /nfs/dbraw/zinc/24/56/49/664245649.db2.gz KZCIRZRJINYMEJ-ZWNOBZJWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC000958206520 664245650 /nfs/dbraw/zinc/24/56/50/664245650.db2.gz KZCIRZRJINYMEJ-ZWNOBZJWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC000958206520 664245652 /nfs/dbraw/zinc/24/56/52/664245652.db2.gz KZCIRZRJINYMEJ-ZWNOBZJWSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958203466 664245947 /nfs/dbraw/zinc/24/59/47/664245947.db2.gz QPYXFVGYUMDOQI-OLZOCXBDSA-N 1 1 309.366 -1.210 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC000958206999 664246648 /nfs/dbraw/zinc/24/66/48/664246648.db2.gz QBKUHQYHVHABKK-ONGXEEELSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206999 664246652 /nfs/dbraw/zinc/24/66/52/664246652.db2.gz QBKUHQYHVHABKK-ONGXEEELSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206999 664246653 /nfs/dbraw/zinc/24/66/53/664246653.db2.gz QBKUHQYHVHABKK-ONGXEEELSA-N 1 1 323.357 -2.148 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)cnn1C ZINC000958210740 664246744 /nfs/dbraw/zinc/24/67/44/664246744.db2.gz RBHPVMWCGPFLDZ-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)cnn1C ZINC000958210740 664246747 /nfs/dbraw/zinc/24/67/47/664246747.db2.gz RBHPVMWCGPFLDZ-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210619 664246877 /nfs/dbraw/zinc/24/68/77/664246877.db2.gz OYMSIAMVJCJKPA-KWQFWETISA-N 1 1 307.354 -1.594 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210619 664246881 /nfs/dbraw/zinc/24/68/81/664246881.db2.gz OYMSIAMVJCJKPA-KWQFWETISA-N 1 1 307.354 -1.594 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000958219651 664247691 /nfs/dbraw/zinc/24/76/91/664247691.db2.gz LPHBNRBWKHZJSR-YPMHNXCESA-N 1 1 324.381 -1.207 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC000958214922 664247852 /nfs/dbraw/zinc/24/78/52/664247852.db2.gz OPZYVSAGTJQPJS-BXKDBHETSA-N 1 1 320.349 -1.409 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(n1)OCCO2 ZINC000958214814 664248015 /nfs/dbraw/zinc/24/80/15/664248015.db2.gz NFTYWSTYVCIBLD-CMPLNLGQSA-N 1 1 323.349 -1.132 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ncnc2[nH]ccc21 ZINC000958220166 664248080 /nfs/dbraw/zinc/24/80/80/664248080.db2.gz ULQWFIRHBZHKFB-GXSJLCMTSA-N 1 1 305.338 -1.076 20 0 DAADMO CCOc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958220459 664248193 /nfs/dbraw/zinc/24/81/93/664248193.db2.gz YTHMXKTWJWZZAL-SCZZXKLOSA-N 1 1 312.326 -1.419 20 0 DAADMO CCOc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958220459 664248197 /nfs/dbraw/zinc/24/81/97/664248197.db2.gz YTHMXKTWJWZZAL-SCZZXKLOSA-N 1 1 312.326 -1.419 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncnc3[nH]ccc32)[C@H](O)C1 ZINC000958219608 664248365 /nfs/dbraw/zinc/24/83/65/664248365.db2.gz KWSNNELBKFCZSK-PSASIEDQSA-N 1 1 318.337 -1.583 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncnc3[nH]ccc32)[C@H](O)C1 ZINC000958219608 664248367 /nfs/dbraw/zinc/24/83/67/664248367.db2.gz KWSNNELBKFCZSK-PSASIEDQSA-N 1 1 318.337 -1.583 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958220492 664248429 /nfs/dbraw/zinc/24/84/29/664248429.db2.gz ZCVKNZLIXIMOAN-WCQYABFASA-N 1 1 324.381 -1.471 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 ZINC000958228092 664248766 /nfs/dbraw/zinc/24/87/66/664248766.db2.gz LLHHUPXRZQVORZ-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncn2C)C1 ZINC000958228092 664248769 /nfs/dbraw/zinc/24/87/69/664248769.db2.gz LLHHUPXRZQVORZ-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](Cc2cnnn2C)C[C@H]1O ZINC000958227473 664249149 /nfs/dbraw/zinc/24/91/49/664249149.db2.gz FOLXRALLJBCZKY-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1O ZINC000958227473 664249154 /nfs/dbraw/zinc/24/91/54/664249154.db2.gz FOLXRALLJBCZKY-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958229089 664249612 /nfs/dbraw/zinc/24/96/12/664249612.db2.gz XWAAHGRUWGVGBS-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958229089 664249614 /nfs/dbraw/zinc/24/96/14/664249614.db2.gz XWAAHGRUWGVGBS-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958228685 664249658 /nfs/dbraw/zinc/24/96/58/664249658.db2.gz RVGJFLKGXMHYBC-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958243019 664250002 /nfs/dbraw/zinc/25/00/02/664250002.db2.gz HDPDFBJWJGXDEM-QWRGUYRKSA-N 1 1 323.349 -1.236 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958243019 664250008 /nfs/dbraw/zinc/25/00/08/664250008.db2.gz HDPDFBJWJGXDEM-QWRGUYRKSA-N 1 1 323.349 -1.236 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC000958244715 664250139 /nfs/dbraw/zinc/25/01/39/664250139.db2.gz WMUCUMTXCQSBSO-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC000958244715 664250142 /nfs/dbraw/zinc/25/01/42/664250142.db2.gz WMUCUMTXCQSBSO-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1Cl ZINC000958242152 664250198 /nfs/dbraw/zinc/25/01/98/664250198.db2.gz AIXJFQFBGZUWRC-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1Cl ZINC000958242152 664250200 /nfs/dbraw/zinc/25/02/00/664250200.db2.gz AIXJFQFBGZUWRC-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247857 664250358 /nfs/dbraw/zinc/25/03/58/664250358.db2.gz CNKOETFHSYVHEL-APPZFPTMSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247857 664250363 /nfs/dbraw/zinc/25/03/63/664250363.db2.gz CNKOETFHSYVHEL-APPZFPTMSA-N 1 1 319.325 -2.139 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958244652 664250376 /nfs/dbraw/zinc/25/03/76/664250376.db2.gz VTCQLKPRQREASN-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958244652 664250378 /nfs/dbraw/zinc/25/03/78/664250378.db2.gz VTCQLKPRQREASN-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254049 664250845 /nfs/dbraw/zinc/25/08/45/664250845.db2.gz LOPQIQLROVRWPR-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254049 664250848 /nfs/dbraw/zinc/25/08/48/664250848.db2.gz LOPQIQLROVRWPR-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253333 664250934 /nfs/dbraw/zinc/25/09/34/664250934.db2.gz HRRSVTJANGPYCK-GXSJLCMTSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253333 664250939 /nfs/dbraw/zinc/25/09/39/664250939.db2.gz HRRSVTJANGPYCK-GXSJLCMTSA-N 1 1 323.353 -1.827 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC000958263060 664251008 /nfs/dbraw/zinc/25/10/08/664251008.db2.gz NASCKXONIHLIDU-SKDRFNHKSA-N 1 1 311.338 -1.602 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958255147 664251024 /nfs/dbraw/zinc/25/10/24/664251024.db2.gz VNWXHUYEANAMHR-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958255147 664251028 /nfs/dbraw/zinc/25/10/28/664251028.db2.gz VNWXHUYEANAMHR-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254690 664251063 /nfs/dbraw/zinc/25/10/63/664251063.db2.gz RLTHTPVSYMWTQE-VHSXEESVSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254690 664251064 /nfs/dbraw/zinc/25/10/64/664251064.db2.gz RLTHTPVSYMWTQE-VHSXEESVSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254047 664251067 /nfs/dbraw/zinc/25/10/67/664251067.db2.gz LOPQIQLROVRWPR-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC000958254047 664251069 /nfs/dbraw/zinc/25/10/69/664251069.db2.gz LOPQIQLROVRWPR-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2nccn2c1 ZINC000958254381 664251110 /nfs/dbraw/zinc/25/11/10/664251110.db2.gz OOWDKKUMZVSKNB-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258646 664251275 /nfs/dbraw/zinc/25/12/75/664251275.db2.gz UVVYGZCXKMINIO-NWDGAFQWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258646 664251278 /nfs/dbraw/zinc/25/12/78/664251278.db2.gz UVVYGZCXKMINIO-NWDGAFQWSA-N 1 1 317.349 -1.158 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC000958274097 664251643 /nfs/dbraw/zinc/25/16/43/664251643.db2.gz UUBQCPVLUQBIQA-ZYHUDNBSSA-N 1 1 310.354 -1.551 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958267361 664251942 /nfs/dbraw/zinc/25/19/42/664251942.db2.gz MWCKPEPSAKJRKN-JQWIXIFHSA-N 1 1 320.353 -1.622 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ncc1=O ZINC000958274116 664251951 /nfs/dbraw/zinc/25/19/51/664251951.db2.gz VCNRXYUGLYNOOR-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ncc1=O ZINC000958274116 664251953 /nfs/dbraw/zinc/25/19/53/664251953.db2.gz VCNRXYUGLYNOOR-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958282893 664252464 /nfs/dbraw/zinc/25/24/64/664252464.db2.gz BYSDCSPLRRTJOU-GXFFZTMASA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958282893 664252467 /nfs/dbraw/zinc/25/24/67/664252467.db2.gz BYSDCSPLRRTJOU-GXFFZTMASA-N 1 1 321.381 -1.145 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958282000 664252554 /nfs/dbraw/zinc/25/25/54/664252554.db2.gz SYUKOVWXVJKDOC-WCBMZHEXSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958282000 664252556 /nfs/dbraw/zinc/25/25/56/664252556.db2.gz SYUKOVWXVJKDOC-WCBMZHEXSA-N 1 1 312.326 -1.548 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1csnn1 ZINC000958289201 664252570 /nfs/dbraw/zinc/25/25/70/664252570.db2.gz SYMRZLUBEVDQAE-GXSJLCMTSA-N 1 1 323.382 -1.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1csnn1 ZINC000958289203 664252738 /nfs/dbraw/zinc/25/27/38/664252738.db2.gz SYMRZLUBEVDQAE-MWLCHTKSSA-N 1 1 323.382 -1.148 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)co1 ZINC000958281059 664252750 /nfs/dbraw/zinc/25/27/50/664252750.db2.gz GLMLNOUGYAPYIC-MNOVXSKESA-N 1 1 311.338 -1.217 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958304952 664254319 /nfs/dbraw/zinc/25/43/19/664254319.db2.gz WVJLDMKHMJUBLW-MNOVXSKESA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958304952 664254320 /nfs/dbraw/zinc/25/43/20/664254320.db2.gz WVJLDMKHMJUBLW-MNOVXSKESA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958313655 664254707 /nfs/dbraw/zinc/25/47/07/664254707.db2.gz SLGCQUVHHJILSW-UWVGGRQHSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958313655 664254709 /nfs/dbraw/zinc/25/47/09/664254709.db2.gz SLGCQUVHHJILSW-UWVGGRQHSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958312684 664254765 /nfs/dbraw/zinc/25/47/65/664254765.db2.gz DLCNGAFOWLVAKC-VHSXEESVSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958312684 664254768 /nfs/dbraw/zinc/25/47/68/664254768.db2.gz DLCNGAFOWLVAKC-VHSXEESVSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958313742 664254936 /nfs/dbraw/zinc/25/49/36/664254936.db2.gz VJIQPJASAQWSSM-GXSJLCMTSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958313742 664254941 /nfs/dbraw/zinc/25/49/41/664254941.db2.gz VJIQPJASAQWSSM-GXSJLCMTSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1cc(C[N@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)on1 ZINC000958315857 664254965 /nfs/dbraw/zinc/25/49/65/664254965.db2.gz BTEXTIQAVMTBSN-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)on1 ZINC000958315857 664254967 /nfs/dbraw/zinc/25/49/67/664254967.db2.gz BTEXTIQAVMTBSN-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958313745 664254999 /nfs/dbraw/zinc/25/49/99/664254999.db2.gz VJIQPJASAQWSSM-ONGXEEELSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958313745 664255004 /nfs/dbraw/zinc/25/50/04/664255004.db2.gz VJIQPJASAQWSSM-ONGXEEELSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958313654 664255211 /nfs/dbraw/zinc/25/52/11/664255211.db2.gz SLGCQUVHHJILSW-NXEZZACHSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958313654 664255216 /nfs/dbraw/zinc/25/52/16/664255216.db2.gz SLGCQUVHHJILSW-NXEZZACHSA-N 1 1 310.358 -1.776 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC000958315993 664255304 /nfs/dbraw/zinc/25/53/04/664255304.db2.gz CRBWBNUEWBONNA-RYUDHWBXSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC000958315994 664255527 /nfs/dbraw/zinc/25/55/27/664255527.db2.gz CRBWBNUEWBONNA-VXGBXAGGSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)c1=O ZINC000958316982 664255912 /nfs/dbraw/zinc/25/59/12/664255912.db2.gz QIZIUROHSQINIZ-WCBMZHEXSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)c1=O ZINC000958316982 664255917 /nfs/dbraw/zinc/25/59/17/664255917.db2.gz QIZIUROHSQINIZ-WCBMZHEXSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958317137 664256166 /nfs/dbraw/zinc/25/61/66/664256166.db2.gz SNSJMTSYJVLBCO-SCZZXKLOSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958317137 664256171 /nfs/dbraw/zinc/25/61/71/664256171.db2.gz SNSJMTSYJVLBCO-SCZZXKLOSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000958317004 664256532 /nfs/dbraw/zinc/25/65/32/664256532.db2.gz QPTAQXDMJKSVNE-CMPLNLGQSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958319373 664256836 /nfs/dbraw/zinc/25/68/36/664256836.db2.gz KXFQRZMXGFFDCX-LPUQOGTASA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958319373 664256839 /nfs/dbraw/zinc/25/68/39/664256839.db2.gz KXFQRZMXGFFDCX-LPUQOGTASA-N 1 1 321.381 -1.384 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958318786 664256847 /nfs/dbraw/zinc/25/68/47/664256847.db2.gz GRPDGIOOFUXPEZ-NEPJUHHUSA-N 1 1 320.353 -1.207 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319307 664257030 /nfs/dbraw/zinc/25/70/30/664257030.db2.gz KGOPMKCPDVGQQB-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319307 664257033 /nfs/dbraw/zinc/25/70/33/664257033.db2.gz KGOPMKCPDVGQQB-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC000958320970 664257069 /nfs/dbraw/zinc/25/70/69/664257069.db2.gz SBBGTPORVNPFLZ-NXEZZACHSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC000958320970 664257073 /nfs/dbraw/zinc/25/70/73/664257073.db2.gz SBBGTPORVNPFLZ-NXEZZACHSA-N 1 1 319.325 -2.368 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958318788 664257085 /nfs/dbraw/zinc/25/70/85/664257085.db2.gz GRPDGIOOFUXPEZ-RYUDHWBXSA-N 1 1 320.353 -1.207 20 0 DAADMO Cn1cnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958321104 664257115 /nfs/dbraw/zinc/25/71/15/664257115.db2.gz SHZFSTJCEXSBSZ-WCQYABFASA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320972 664257297 /nfs/dbraw/zinc/25/72/97/664257297.db2.gz SBBGTPORVNPFLZ-VHSXEESVSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320972 664257298 /nfs/dbraw/zinc/25/72/98/664257298.db2.gz SBBGTPORVNPFLZ-VHSXEESVSA-N 1 1 319.325 -2.368 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958321706 664257729 /nfs/dbraw/zinc/25/77/29/664257729.db2.gz VOUHUOKXCJRAPB-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958321706 664257733 /nfs/dbraw/zinc/25/77/33/664257733.db2.gz VOUHUOKXCJRAPB-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958328244 664257802 /nfs/dbraw/zinc/25/78/02/664257802.db2.gz CGHJVCXSLNEJLJ-VHSXEESVSA-N 1 1 321.345 -2.476 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958328243 664257988 /nfs/dbraw/zinc/25/79/88/664257988.db2.gz CGHJVCXSLNEJLJ-UWVGGRQHSA-N 1 1 321.345 -2.476 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC000958328830 664258044 /nfs/dbraw/zinc/25/80/44/664258044.db2.gz NQTAKCNKAXBLGY-CMPLNLGQSA-N 1 1 324.385 -1.198 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC000958321133 664258327 /nfs/dbraw/zinc/25/83/27/664258327.db2.gz SOOURBMESHZERD-VVSAWPALSA-N 1 1 323.393 -1.480 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)N1CCC1 ZINC000958321133 664258332 /nfs/dbraw/zinc/25/83/32/664258332.db2.gz SOOURBMESHZERD-VVSAWPALSA-N 1 1 323.393 -1.480 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958321709 664258388 /nfs/dbraw/zinc/25/83/88/664258388.db2.gz VOUHUOKXCJRAPB-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958321709 664258390 /nfs/dbraw/zinc/25/83/90/664258390.db2.gz VOUHUOKXCJRAPB-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)n1 ZINC000958328903 664258407 /nfs/dbraw/zinc/25/84/07/664258407.db2.gz OXSKORQETCTQSZ-NWDGAFQWSA-N 1 1 324.385 -1.341 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC000958321779 664258469 /nfs/dbraw/zinc/25/84/69/664258469.db2.gz WPVSHYACBOXYIK-NWDGAFQWSA-N 1 1 320.353 -1.471 20 0 DAADMO Cc1ncc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329223 664258715 /nfs/dbraw/zinc/25/87/15/664258715.db2.gz UOXGTCAYOGOMNO-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329223 664258719 /nfs/dbraw/zinc/25/87/19/664258719.db2.gz UOXGTCAYOGOMNO-KOLCDFICSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncc(C[N@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)o1 ZINC000958329224 664258790 /nfs/dbraw/zinc/25/87/90/664258790.db2.gz UOXGTCAYOGOMNO-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncc(C[N@@H+]2C[C@@H](CNC(=O)c3nnn(C)n3)[C@H](O)C2)o1 ZINC000958329224 664258793 /nfs/dbraw/zinc/25/87/93/664258793.db2.gz UOXGTCAYOGOMNO-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334733 664258849 /nfs/dbraw/zinc/25/88/49/664258849.db2.gz PORHALZEGODILM-SVRRBLITSA-N 1 1 300.340 -1.644 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958334733 664258855 /nfs/dbraw/zinc/25/88/55/664258855.db2.gz PORHALZEGODILM-SVRRBLITSA-N 1 1 300.340 -1.644 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)n1 ZINC000958329094 664259151 /nfs/dbraw/zinc/25/91/51/664259151.db2.gz RXAQEXPOMLBYNI-ALCGYSGWSA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)n1 ZINC000958329094 664259155 /nfs/dbraw/zinc/25/91/55/664259155.db2.gz RXAQEXPOMLBYNI-ALCGYSGWSA-N 1 1 300.750 -1.015 20 0 DAADMO Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958329174 664259256 /nfs/dbraw/zinc/25/92/56/664259256.db2.gz TZKFCTHTJCABSM-NXEZZACHSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncoc1C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958329174 664259260 /nfs/dbraw/zinc/25/92/60/664259260.db2.gz TZKFCTHTJCABSM-NXEZZACHSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958345011 664259857 /nfs/dbraw/zinc/25/98/57/664259857.db2.gz KUNAGBRVDXTEBM-BDAKNGLRSA-N 1 1 309.326 -2.002 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958345011 664259860 /nfs/dbraw/zinc/25/98/60/664259860.db2.gz KUNAGBRVDXTEBM-BDAKNGLRSA-N 1 1 309.326 -2.002 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346099 664260281 /nfs/dbraw/zinc/26/02/81/664260281.db2.gz VYAQIFVXFDVPSU-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346099 664260282 /nfs/dbraw/zinc/26/02/82/664260282.db2.gz VYAQIFVXFDVPSU-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349323 664260294 /nfs/dbraw/zinc/26/02/94/664260294.db2.gz ICNOJZRSFLDYHR-WCBMZHEXSA-N 1 1 309.326 -2.462 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349323 664260295 /nfs/dbraw/zinc/26/02/95/664260295.db2.gz ICNOJZRSFLDYHR-WCBMZHEXSA-N 1 1 309.326 -2.462 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349324 664260340 /nfs/dbraw/zinc/26/03/40/664260340.db2.gz ICNOJZRSFLDYHR-WPRPVWTQSA-N 1 1 309.326 -2.462 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349324 664260343 /nfs/dbraw/zinc/26/03/43/664260343.db2.gz ICNOJZRSFLDYHR-WPRPVWTQSA-N 1 1 309.326 -2.462 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958345906 664260561 /nfs/dbraw/zinc/26/05/61/664260561.db2.gz UNTKELVGZMRLCT-MNOVXSKESA-N 1 1 310.354 -1.104 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958349360 664260594 /nfs/dbraw/zinc/26/05/94/664260594.db2.gz IVDLEZQAPPIXIF-ONGXEEELSA-N 1 1 311.338 -1.678 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349322 664260618 /nfs/dbraw/zinc/26/06/18/664260618.db2.gz ICNOJZRSFLDYHR-SCZZXKLOSA-N 1 1 309.326 -2.462 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958349322 664260619 /nfs/dbraw/zinc/26/06/19/664260619.db2.gz ICNOJZRSFLDYHR-SCZZXKLOSA-N 1 1 309.326 -2.462 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000958350855 664261028 /nfs/dbraw/zinc/26/10/28/664261028.db2.gz VDLBCMWPPCKFQD-KWQFWETISA-N 1 1 321.337 -1.322 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958351236 664261070 /nfs/dbraw/zinc/26/10/70/664261070.db2.gz YIAUHXJTRKTDDE-SCZZXKLOSA-N 1 1 324.337 -2.185 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958351236 664261071 /nfs/dbraw/zinc/26/10/71/664261071.db2.gz YIAUHXJTRKTDDE-SCZZXKLOSA-N 1 1 324.337 -2.185 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000958350852 664261097 /nfs/dbraw/zinc/26/10/97/664261097.db2.gz VDLBCMWPPCKFQD-GZMMTYOYSA-N 1 1 321.337 -1.322 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc(C)n1 ZINC000958355205 664261142 /nfs/dbraw/zinc/26/11/42/664261142.db2.gz MAZNNDWUSWNEDM-NWDGAFQWSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc(C)n1 ZINC000958355205 664261144 /nfs/dbraw/zinc/26/11/44/664261144.db2.gz MAZNNDWUSWNEDM-NWDGAFQWSA-N 1 1 322.365 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1 ZINC000958350982 664261172 /nfs/dbraw/zinc/26/11/72/664261172.db2.gz MHBVUTSLQZGMIM-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1 ZINC000958350982 664261174 /nfs/dbraw/zinc/26/11/74/664261174.db2.gz MHBVUTSLQZGMIM-MXWKQRLJSA-N 1 1 312.370 -1.845 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[C@H]1CCOC1 ZINC000958361883 664261555 /nfs/dbraw/zinc/26/15/55/664261555.db2.gz VIQVQFXGTVKIOA-MEWQQHAOSA-N 1 1 322.365 -1.379 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1CCOC1 ZINC000958361880 664261614 /nfs/dbraw/zinc/26/16/14/664261614.db2.gz VIQVQFXGTVKIOA-DCQANWLSSA-N 1 1 322.365 -1.379 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958368167 664261784 /nfs/dbraw/zinc/26/17/84/664261784.db2.gz AGMMMBGNRSHGJE-IZWKTGJZSA-N 1 1 317.349 -1.115 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390831 664262960 /nfs/dbraw/zinc/26/29/60/664262960.db2.gz UIXDJAWPQCWJKX-ZJUUUORDSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390831 664262962 /nfs/dbraw/zinc/26/29/62/664262962.db2.gz UIXDJAWPQCWJKX-ZJUUUORDSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390829 664263223 /nfs/dbraw/zinc/26/32/23/664263223.db2.gz UIXDJAWPQCWJKX-UWVGGRQHSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390829 664263225 /nfs/dbraw/zinc/26/32/25/664263225.db2.gz UIXDJAWPQCWJKX-UWVGGRQHSA-N 1 1 324.337 -1.853 20 0 DAADMO Cn1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cccc1=O ZINC000958395350 664263547 /nfs/dbraw/zinc/26/35/47/664263547.db2.gz SYGDDMNYFRBNRZ-GXSJLCMTSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cccc1=O ZINC000958395350 664263549 /nfs/dbraw/zinc/26/35/49/664263549.db2.gz SYGDDMNYFRBNRZ-GXSJLCMTSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cnc2ccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)nc21 ZINC000958395455 664263705 /nfs/dbraw/zinc/26/37/05/664263705.db2.gz VALDEPDEXFOLKY-GXFFZTMASA-N 1 1 319.365 -1.017 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958395607 664263755 /nfs/dbraw/zinc/26/37/55/664263755.db2.gz XIONOOQENZYQMQ-NWDGAFQWSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958395607 664263759 /nfs/dbraw/zinc/26/37/59/664263759.db2.gz XIONOOQENZYQMQ-NWDGAFQWSA-N 1 1 322.365 -1.012 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000958394902 664263770 /nfs/dbraw/zinc/26/37/70/664263770.db2.gz LKYHWRSQNYFGIK-APPZFPTMSA-N 1 1 317.371 -1.901 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cccc1=O ZINC000958395351 664263879 /nfs/dbraw/zinc/26/38/79/664263879.db2.gz SYGDDMNYFRBNRZ-KOLCDFICSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cccc1=O ZINC000958395351 664263882 /nfs/dbraw/zinc/26/38/82/664263882.db2.gz SYGDDMNYFRBNRZ-KOLCDFICSA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)N1CCC1 ZINC000958401327 664264028 /nfs/dbraw/zinc/26/40/28/664264028.db2.gz KDNFJHXQTHWZBE-DEKYYXRVSA-N 1 1 306.366 -1.456 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409521 664264326 /nfs/dbraw/zinc/26/43/26/664264326.db2.gz UOPAHPFBOMVZTI-CABZTGNLSA-N 1 1 310.354 -1.218 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958409532 664264371 /nfs/dbraw/zinc/26/43/71/664264371.db2.gz UPOXFRDXQITVIS-NXEZZACHSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958409532 664264376 /nfs/dbraw/zinc/26/43/76/664264376.db2.gz UPOXFRDXQITVIS-NXEZZACHSA-N 1 1 324.385 -1.459 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958409039 664264435 /nfs/dbraw/zinc/26/44/35/664264435.db2.gz NSTBQQSESPDELL-GMSGAONNSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958409039 664264439 /nfs/dbraw/zinc/26/44/39/664264439.db2.gz NSTBQQSESPDELL-GMSGAONNSA-N 1 1 309.326 -2.379 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nnn1CC ZINC000958405803 664264474 /nfs/dbraw/zinc/26/44/74/664264474.db2.gz WDAASLORBXEEOV-MWLCHTKSSA-N 1 1 324.385 -1.632 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nnn1CC ZINC000958405803 664264477 /nfs/dbraw/zinc/26/44/77/664264477.db2.gz WDAASLORBXEEOV-MWLCHTKSSA-N 1 1 324.385 -1.632 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC000958409726 664264519 /nfs/dbraw/zinc/26/45/19/664264519.db2.gz VUFUZYUGVXXYQK-MFKMUULPSA-N 1 1 322.365 -1.496 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nnn1CC ZINC000958405804 664264582 /nfs/dbraw/zinc/26/45/82/664264582.db2.gz WDAASLORBXEEOV-ONGXEEELSA-N 1 1 324.385 -1.632 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nnn1CC ZINC000958405804 664264586 /nfs/dbraw/zinc/26/45/86/664264586.db2.gz WDAASLORBXEEOV-ONGXEEELSA-N 1 1 324.385 -1.632 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408848 664264752 /nfs/dbraw/zinc/26/47/52/664264752.db2.gz MFBOQSOQNFODSX-KCJUWKMLSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408848 664264759 /nfs/dbraw/zinc/26/47/59/664264759.db2.gz MFBOQSOQNFODSX-KCJUWKMLSA-N 1 1 323.353 -2.118 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)[nH]1 ZINC000958408080 664264953 /nfs/dbraw/zinc/26/49/53/664264953.db2.gz DJNCKAOMGWDAFV-CABZTGNLSA-N 1 1 310.354 -1.482 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958431195 664265168 /nfs/dbraw/zinc/26/51/68/664265168.db2.gz DSAOYSFDWVGTQG-RGOKHQFPSA-N 1 1 302.338 -1.393 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC000958424395 664265436 /nfs/dbraw/zinc/26/54/36/664265436.db2.gz VBARGTLQXQCHNR-CHWSQXEVSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1nccn2ccnc12 ZINC000958418568 664265476 /nfs/dbraw/zinc/26/54/76/664265476.db2.gz SSRHRFBLASNHKS-QWRGUYRKSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC000958429664 664265662 /nfs/dbraw/zinc/26/56/62/664265662.db2.gz MAIOKTSVJPWDSC-CHWSQXEVSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC000958429664 664265667 /nfs/dbraw/zinc/26/56/67/664265667.db2.gz MAIOKTSVJPWDSC-CHWSQXEVSA-N 1 1 319.365 -1.269 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000958423708 664265708 /nfs/dbraw/zinc/26/57/08/664265708.db2.gz PSVGUURPFAKZKZ-RYUDHWBXSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000958423708 664265710 /nfs/dbraw/zinc/26/57/10/664265710.db2.gz PSVGUURPFAKZKZ-RYUDHWBXSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 ZINC000958423706 664265735 /nfs/dbraw/zinc/26/57/35/664265735.db2.gz PSVGUURPFAKZKZ-NEPJUHHUSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 ZINC000958423706 664265738 /nfs/dbraw/zinc/26/57/38/664265738.db2.gz PSVGUURPFAKZKZ-NEPJUHHUSA-N 1 1 307.354 -1.413 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958435153 664266114 /nfs/dbraw/zinc/26/61/14/664266114.db2.gz NHVCOJKWHBJZLW-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958435153 664266117 /nfs/dbraw/zinc/26/61/17/664266117.db2.gz NHVCOJKWHBJZLW-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958438675 664266166 /nfs/dbraw/zinc/26/61/66/664266166.db2.gz LLYQYVMCJOQAMF-PWSUYJOCSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958438675 664266168 /nfs/dbraw/zinc/26/61/68/664266168.db2.gz LLYQYVMCJOQAMF-PWSUYJOCSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958438674 664266429 /nfs/dbraw/zinc/26/64/29/664266429.db2.gz LLYQYVMCJOQAMF-JQWIXIFHSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958438674 664266438 /nfs/dbraw/zinc/26/64/38/664266438.db2.gz LLYQYVMCJOQAMF-JQWIXIFHSA-N 1 1 309.370 -1.199 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958435152 664266487 /nfs/dbraw/zinc/26/64/87/664266487.db2.gz NHVCOJKWHBJZLW-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958435152 664266492 /nfs/dbraw/zinc/26/64/92/664266492.db2.gz NHVCOJKWHBJZLW-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958432246 664266534 /nfs/dbraw/zinc/26/65/34/664266534.db2.gz PNYPDAIRGDHQCJ-AXTSPUMRSA-N 1 1 304.354 -1.147 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444203 664266685 /nfs/dbraw/zinc/26/66/85/664266685.db2.gz NXVPMVUNUCOKCR-NWDGAFQWSA-N 1 1 320.411 -1.788 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444203 664266686 /nfs/dbraw/zinc/26/66/86/664266686.db2.gz NXVPMVUNUCOKCR-NWDGAFQWSA-N 1 1 320.411 -1.788 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958452950 664266896 /nfs/dbraw/zinc/26/68/96/664266896.db2.gz IZWVMLAJXUNQPC-VXGBXAGGSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958452950 664266900 /nfs/dbraw/zinc/26/69/00/664266900.db2.gz IZWVMLAJXUNQPC-VXGBXAGGSA-N 1 1 321.381 -1.345 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958452820 664266909 /nfs/dbraw/zinc/26/69/09/664266909.db2.gz HMPLMXHAVQHCDN-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958452820 664266913 /nfs/dbraw/zinc/26/69/13/664266913.db2.gz HMPLMXHAVQHCDN-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958456237 664266926 /nfs/dbraw/zinc/26/69/26/664266926.db2.gz CYRMFHDVDAWCLT-BBGACYKPSA-N 1 1 317.349 -1.196 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC000958449928 664267145 /nfs/dbraw/zinc/26/71/45/664267145.db2.gz WXKNZKLTDOQQNF-ZYHUDNBSSA-N 1 1 324.381 -1.485 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958449925 664267192 /nfs/dbraw/zinc/26/71/92/664267192.db2.gz WXKNZKLTDOQQNF-CMPLNLGQSA-N 1 1 324.381 -1.485 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462912 664267510 /nfs/dbraw/zinc/26/75/10/664267510.db2.gz IVRBQJSGXAGCCF-NEPJUHHUSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462912 664267512 /nfs/dbraw/zinc/26/75/12/664267512.db2.gz IVRBQJSGXAGCCF-NEPJUHHUSA-N 1 1 319.365 -1.138 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958470387 664267858 /nfs/dbraw/zinc/26/78/58/664267858.db2.gz TXLDUGXXADKWPK-SRRSOLGSSA-N 1 1 321.385 -1.913 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958470387 664267860 /nfs/dbraw/zinc/26/78/60/664267860.db2.gz TXLDUGXXADKWPK-SRRSOLGSSA-N 1 1 321.385 -1.913 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958469678 664268205 /nfs/dbraw/zinc/26/82/05/664268205.db2.gz KLPVTIJIZAURFY-COMQUAJESA-N 1 1 322.409 -1.404 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958464583 664268366 /nfs/dbraw/zinc/26/83/66/664268366.db2.gz YSOILVFPJUEEKO-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO Cn1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474683 664269379 /nfs/dbraw/zinc/26/93/79/664269379.db2.gz PHTWMHSLNMALAD-KZVDOYCCSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474683 664269382 /nfs/dbraw/zinc/26/93/82/664269382.db2.gz PHTWMHSLNMALAD-KZVDOYCCSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958476475 664269777 /nfs/dbraw/zinc/26/97/77/664269777.db2.gz KVUHVGWSVZAUDV-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958476475 664269780 /nfs/dbraw/zinc/26/97/80/664269780.db2.gz KVUHVGWSVZAUDV-CMPLNLGQSA-N 1 1 322.369 -1.930 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477644 664269988 /nfs/dbraw/zinc/26/99/88/664269988.db2.gz ZUSRCAMBEBWZRM-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477644 664269994 /nfs/dbraw/zinc/26/99/94/664269994.db2.gz ZUSRCAMBEBWZRM-KOLCDFICSA-N 1 1 310.358 -2.074 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958477625 664270132 /nfs/dbraw/zinc/27/01/32/664270132.db2.gz ZJMAAEGUBREXPD-QWRGUYRKSA-N 1 1 313.354 -1.906 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958476497 664270164 /nfs/dbraw/zinc/27/01/64/664270164.db2.gz LGGPSFSNDCKTEK-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958476497 664270166 /nfs/dbraw/zinc/27/01/66/664270166.db2.gz LGGPSFSNDCKTEK-JOYOIKCWSA-N 1 1 322.369 -1.884 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485403 664270464 /nfs/dbraw/zinc/27/04/64/664270464.db2.gz LJODPZHURRBHMD-NXEZZACHSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485403 664270466 /nfs/dbraw/zinc/27/04/66/664270466.db2.gz LJODPZHURRBHMD-NXEZZACHSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958484882 664270507 /nfs/dbraw/zinc/27/05/07/664270507.db2.gz DSHOTCDZVVNAKJ-VXGBXAGGSA-N 1 1 309.366 -1.142 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485284 664270843 /nfs/dbraw/zinc/27/08/43/664270843.db2.gz JUZHINCEHMCLCK-MNOVXSKESA-N 1 1 315.345 -1.192 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958484879 664270866 /nfs/dbraw/zinc/27/08/66/664270866.db2.gz DSHOTCDZVVNAKJ-NEPJUHHUSA-N 1 1 309.366 -1.142 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489669 664271388 /nfs/dbraw/zinc/27/13/88/664271388.db2.gz STFCOAJNELXEEM-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489669 664271392 /nfs/dbraw/zinc/27/13/92/664271392.db2.gz STFCOAJNELXEEM-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958494307 664271428 /nfs/dbraw/zinc/27/14/28/664271428.db2.gz NXURVYDCNHKEGP-DGCLKSJQSA-N 1 1 324.381 -1.332 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489670 664271455 /nfs/dbraw/zinc/27/14/55/664271455.db2.gz STFCOAJNELXEEM-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489670 664271457 /nfs/dbraw/zinc/27/14/57/664271457.db2.gz STFCOAJNELXEEM-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958494186 664271650 /nfs/dbraw/zinc/27/16/50/664271650.db2.gz NQWOLQHHHZRTRW-GXSJLCMTSA-N 1 1 323.353 -2.229 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958494186 664271655 /nfs/dbraw/zinc/27/16/55/664271655.db2.gz NQWOLQHHHZRTRW-GXSJLCMTSA-N 1 1 323.353 -2.229 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493626 664271773 /nfs/dbraw/zinc/27/17/73/664271773.db2.gz HWVIQPMMOKBXQP-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493626 664271775 /nfs/dbraw/zinc/27/17/75/664271775.db2.gz HWVIQPMMOKBXQP-AAEUAGOBSA-N 1 1 319.365 -1.269 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489668 664271851 /nfs/dbraw/zinc/27/18/51/664271851.db2.gz STFCOAJNELXEEM-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC000958489668 664271853 /nfs/dbraw/zinc/27/18/53/664271853.db2.gz STFCOAJNELXEEM-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958494306 664271858 /nfs/dbraw/zinc/27/18/58/664271858.db2.gz NXURVYDCNHKEGP-AAEUAGOBSA-N 1 1 324.381 -1.332 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502764 664273163 /nfs/dbraw/zinc/27/31/63/664273163.db2.gz JSJJWQOVJQMCQS-KCJUWKMLSA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502764 664273165 /nfs/dbraw/zinc/27/31/65/664273165.db2.gz JSJJWQOVJQMCQS-KCJUWKMLSA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC000958502745 664273250 /nfs/dbraw/zinc/27/32/50/664273250.db2.gz JLNLSDDWFWTQKT-VHSXEESVSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ncn[nH]1 ZINC000958502745 664273254 /nfs/dbraw/zinc/27/32/54/664273254.db2.gz JLNLSDDWFWTQKT-VHSXEESVSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncn[nH]1 ZINC000958502745 664273257 /nfs/dbraw/zinc/27/32/57/664273257.db2.gz JLNLSDDWFWTQKT-VHSXEESVSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500301 664273291 /nfs/dbraw/zinc/27/32/91/664273291.db2.gz TZTLIELHRXTCTH-CMPLNLGQSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500301 664273295 /nfs/dbraw/zinc/27/32/95/664273295.db2.gz TZTLIELHRXTCTH-CMPLNLGQSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC000958502746 664273492 /nfs/dbraw/zinc/27/34/92/664273492.db2.gz JLNLSDDWFWTQKT-ZJUUUORDSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958502746 664273495 /nfs/dbraw/zinc/27/34/95/664273495.db2.gz JLNLSDDWFWTQKT-ZJUUUORDSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958502746 664273499 /nfs/dbraw/zinc/27/34/99/664273499.db2.gz JLNLSDDWFWTQKT-ZJUUUORDSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1nnc[nH]1 ZINC000958502615 664273670 /nfs/dbraw/zinc/27/36/70/664273670.db2.gz GATSXRSOZXESKC-NXEZZACHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958502615 664273672 /nfs/dbraw/zinc/27/36/72/664273672.db2.gz GATSXRSOZXESKC-NXEZZACHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958502615 664273674 /nfs/dbraw/zinc/27/36/74/664273674.db2.gz GATSXRSOZXESKC-NXEZZACHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC000958502743 664273751 /nfs/dbraw/zinc/27/37/51/664273751.db2.gz JLNLSDDWFWTQKT-NXEZZACHSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ncn[nH]1 ZINC000958502743 664273755 /nfs/dbraw/zinc/27/37/55/664273755.db2.gz JLNLSDDWFWTQKT-NXEZZACHSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncn[nH]1 ZINC000958502743 664273761 /nfs/dbraw/zinc/27/37/61/664273761.db2.gz JLNLSDDWFWTQKT-NXEZZACHSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC000958502616 664273944 /nfs/dbraw/zinc/27/39/44/664273944.db2.gz GATSXRSOZXESKC-UWVGGRQHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958502616 664273949 /nfs/dbraw/zinc/27/39/49/664273949.db2.gz GATSXRSOZXESKC-UWVGGRQHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958502616 664273953 /nfs/dbraw/zinc/27/39/53/664273953.db2.gz GATSXRSOZXESKC-UWVGGRQHSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnon1 ZINC000958506929 664274308 /nfs/dbraw/zinc/27/43/08/664274308.db2.gz IFYVSTZFPXYBEZ-PWSUYJOCSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC000958507458 664274445 /nfs/dbraw/zinc/27/44/45/664274445.db2.gz QZZMHCZHKVUWIS-WDEREUQCSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnon1 ZINC000958506177 664274721 /nfs/dbraw/zinc/27/47/21/664274721.db2.gz BYYWRHPZAMUDAA-KOLCDFICSA-N 1 1 324.341 -1.883 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC000958505979 664274916 /nfs/dbraw/zinc/27/49/16/664274916.db2.gz BKCLUFAWFHDJPQ-DGCLKSJQSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC000958506433 664275092 /nfs/dbraw/zinc/27/50/92/664275092.db2.gz FELCGASFIVJVLX-UWVGGRQHSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)N1CCC1 ZINC000958522805 664276175 /nfs/dbraw/zinc/27/61/75/664276175.db2.gz MDCWEHHRVGXAIK-FJJYHAOUSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)NC1CC1 ZINC000958522886 664276341 /nfs/dbraw/zinc/27/63/41/664276341.db2.gz NGZOQKZAUMOJHQ-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1)NC1CC1 ZINC000958522886 664276346 /nfs/dbraw/zinc/27/63/46/664276346.db2.gz NGZOQKZAUMOJHQ-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC000958516418 664276506 /nfs/dbraw/zinc/27/65/06/664276506.db2.gz RJYFJMFLBSXIGI-WCQYABFASA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC000958513157 664276757 /nfs/dbraw/zinc/27/67/57/664276757.db2.gz VHJZPVDXDLPKOF-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC000958513157 664276761 /nfs/dbraw/zinc/27/67/61/664276761.db2.gz VHJZPVDXDLPKOF-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c1C ZINC000958520036 664276865 /nfs/dbraw/zinc/27/68/65/664276865.db2.gz RYRUDEWCUCWROT-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c1C ZINC000958520036 664276868 /nfs/dbraw/zinc/27/68/68/664276868.db2.gz RYRUDEWCUCWROT-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526393 664277123 /nfs/dbraw/zinc/27/71/23/664277123.db2.gz PIAROPDDCYEGNQ-WPRPVWTQSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526393 664277127 /nfs/dbraw/zinc/27/71/27/664277127.db2.gz PIAROPDDCYEGNQ-WPRPVWTQSA-N 1 1 309.326 -2.379 20 0 DAADMO COc1cccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958556083 664277242 /nfs/dbraw/zinc/27/72/42/664277242.db2.gz PGDROAZEKVBXLQ-ONGXEEELSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958556083 664277246 /nfs/dbraw/zinc/27/72/46/664277246.db2.gz PGDROAZEKVBXLQ-ONGXEEELSA-N 1 1 308.338 -1.402 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 ZINC000958525079 664277287 /nfs/dbraw/zinc/27/72/87/664277287.db2.gz FJAQORJJSAUQMM-ZYHUDNBSSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)[C@H](O)C1 ZINC000958525079 664277294 /nfs/dbraw/zinc/27/72/94/664277294.db2.gz FJAQORJJSAUQMM-ZYHUDNBSSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558076 664277553 /nfs/dbraw/zinc/27/75/53/664277553.db2.gz DJMAIMGLLGOCFU-ONGXEEELSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558076 664277555 /nfs/dbraw/zinc/27/75/55/664277555.db2.gz DJMAIMGLLGOCFU-ONGXEEELSA-N 1 1 307.354 -1.205 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958552253 664277740 /nfs/dbraw/zinc/27/77/40/664277740.db2.gz ROSQWQKZTLNQTE-MWLCHTKSSA-N 1 1 310.358 -1.804 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958552253 664277741 /nfs/dbraw/zinc/27/77/41/664277741.db2.gz ROSQWQKZTLNQTE-MWLCHTKSSA-N 1 1 310.358 -1.804 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958547651 664277784 /nfs/dbraw/zinc/27/77/84/664277784.db2.gz KRWUTZYYCDLUHX-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958547651 664277791 /nfs/dbraw/zinc/27/77/91/664277791.db2.gz KRWUTZYYCDLUHX-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525837 664277951 /nfs/dbraw/zinc/27/79/51/664277951.db2.gz KOPQJWLBPDBMCR-CMPLNLGQSA-N 1 1 310.354 -1.218 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958551773 664277963 /nfs/dbraw/zinc/27/79/63/664277963.db2.gz NIJIOXDICWBGFP-PWSUYJOCSA-N 1 1 324.385 -1.543 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958551773 664277964 /nfs/dbraw/zinc/27/79/64/664277964.db2.gz NIJIOXDICWBGFP-PWSUYJOCSA-N 1 1 324.385 -1.543 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550463 664278013 /nfs/dbraw/zinc/27/80/13/664278013.db2.gz ADCKUXWIGSEYDZ-CMPLNLGQSA-N 1 1 324.385 -1.373 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550463 664278015 /nfs/dbraw/zinc/27/80/15/664278015.db2.gz ADCKUXWIGSEYDZ-CMPLNLGQSA-N 1 1 324.385 -1.373 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958566767 664278479 /nfs/dbraw/zinc/27/84/79/664278479.db2.gz IOMGCLDMOGABQV-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958566767 664278482 /nfs/dbraw/zinc/27/84/82/664278482.db2.gz IOMGCLDMOGABQV-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(Cl)n1 ZINC000958579917 664278588 /nfs/dbraw/zinc/27/85/88/664278588.db2.gz BJBYMUXKXLOESP-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(Cl)n1 ZINC000958579917 664278592 /nfs/dbraw/zinc/27/85/92/664278592.db2.gz BJBYMUXKXLOESP-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958563391 664278604 /nfs/dbraw/zinc/27/86/04/664278604.db2.gz MTQRPZMCRGXXJZ-RYUDHWBXSA-N 1 1 310.354 -1.110 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CC3CC3)c2)[C@H](O)C1 ZINC000958577785 664278639 /nfs/dbraw/zinc/27/86/39/664278639.db2.gz MRRXSIMBTYHBJD-DGCLKSJQSA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC3CC3)c2)[C@H](O)C1 ZINC000958577785 664278643 /nfs/dbraw/zinc/27/86/43/664278643.db2.gz MRRXSIMBTYHBJD-DGCLKSJQSA-N 1 1 321.381 -1.199 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(Cl)n1 ZINC000958579915 664278662 /nfs/dbraw/zinc/27/86/62/664278662.db2.gz BJBYMUXKXLOESP-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(Cl)n1 ZINC000958579915 664278667 /nfs/dbraw/zinc/27/86/67/664278667.db2.gz BJBYMUXKXLOESP-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc(OC)nc2)[C@H](O)C1 ZINC000958562869 664278713 /nfs/dbraw/zinc/27/87/13/664278713.db2.gz IQFUTKKVLGZNLD-GHMZBOCLSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(OC)nc2)[C@H](O)C1 ZINC000958562869 664278716 /nfs/dbraw/zinc/27/87/16/664278716.db2.gz IQFUTKKVLGZNLD-GHMZBOCLSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566508 664278735 /nfs/dbraw/zinc/27/87/35/664278735.db2.gz GCGYGMKIVPZYLL-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566508 664278738 /nfs/dbraw/zinc/27/87/38/664278738.db2.gz GCGYGMKIVPZYLL-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958563529 664279004 /nfs/dbraw/zinc/27/90/04/664279004.db2.gz PKHSJHYQJOLKRR-ZJUUUORDSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958563529 664279005 /nfs/dbraw/zinc/27/90/05/664279005.db2.gz PKHSJHYQJOLKRR-ZJUUUORDSA-N 1 1 309.326 -2.007 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O)CCC2 ZINC000958586864 664279205 /nfs/dbraw/zinc/27/92/05/664279205.db2.gz DENIQUXCPJEDEA-SKDRFNHKSA-N 1 1 321.381 -1.583 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O)CCC2 ZINC000958586864 664279208 /nfs/dbraw/zinc/27/92/08/664279208.db2.gz DENIQUXCPJEDEA-SKDRFNHKSA-N 1 1 321.381 -1.583 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC000958588525 664279544 /nfs/dbraw/zinc/27/95/44/664279544.db2.gz TYVGMVRSDPKXNY-WPRPVWTQSA-N 1 1 322.325 -2.568 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958584047 664279650 /nfs/dbraw/zinc/27/96/50/664279650.db2.gz NYJKPZMMMWTXLI-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958584047 664279655 /nfs/dbraw/zinc/27/96/55/664279655.db2.gz NYJKPZMMMWTXLI-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC000958588524 664279807 /nfs/dbraw/zinc/27/98/07/664279807.db2.gz TYVGMVRSDPKXNY-WCBMZHEXSA-N 1 1 322.325 -2.568 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC000958588156 664279918 /nfs/dbraw/zinc/27/99/18/664279918.db2.gz PYNUOOUMEBCSLG-JQWIXIFHSA-N 1 1 320.353 -1.552 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC000958599563 664280187 /nfs/dbraw/zinc/28/01/87/664280187.db2.gz QVWKMOAEZHYBKP-DGCLKSJQSA-N 1 1 323.397 -1.053 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588763 664280294 /nfs/dbraw/zinc/28/02/94/664280294.db2.gz XYEKDYYZXCXJBE-SCZZXKLOSA-N 1 1 306.326 -1.540 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC000958599564 664280312 /nfs/dbraw/zinc/28/03/12/664280312.db2.gz QVWKMOAEZHYBKP-WCQYABFASA-N 1 1 323.397 -1.053 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958599395 664280348 /nfs/dbraw/zinc/28/03/48/664280348.db2.gz POFDOKGUVJUJEZ-JQWIXIFHSA-N 1 1 309.370 -1.443 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1=O ZINC000958593637 664280537 /nfs/dbraw/zinc/28/05/37/664280537.db2.gz AUPUITABOLYZER-DGCLKSJQSA-N 1 1 309.366 -1.210 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC000958588762 664280779 /nfs/dbraw/zinc/28/07/79/664280779.db2.gz XYEKDYYZXCXJBE-PSASIEDQSA-N 1 1 306.326 -1.540 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1=O ZINC000958593638 664280824 /nfs/dbraw/zinc/28/08/24/664280824.db2.gz AUPUITABOLYZER-WCQYABFASA-N 1 1 309.366 -1.210 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958599397 664280890 /nfs/dbraw/zinc/28/08/90/664280890.db2.gz POFDOKGUVJUJEZ-ZYHUDNBSSA-N 1 1 309.370 -1.443 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608652 664281445 /nfs/dbraw/zinc/28/14/45/664281445.db2.gz VWGVNOVZBAFKOS-KZVDOYCCSA-N 1 1 310.398 -1.371 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958615775 664281467 /nfs/dbraw/zinc/28/14/67/664281467.db2.gz YDDHVQTVRNRQLN-SFDCQRBFSA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958615775 664281469 /nfs/dbraw/zinc/28/14/69/664281469.db2.gz YDDHVQTVRNRQLN-SFDCQRBFSA-N 1 1 322.409 -1.358 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC000958615880 664281548 /nfs/dbraw/zinc/28/15/48/664281548.db2.gz ZKVQKKWMTKEEQL-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC000958615880 664281552 /nfs/dbraw/zinc/28/15/52/664281552.db2.gz ZKVQKKWMTKEEQL-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608498 664281585 /nfs/dbraw/zinc/28/15/85/664281585.db2.gz PKWNTCXBSWZWBL-CXTNEJHOSA-N 1 1 324.425 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608258 664281610 /nfs/dbraw/zinc/28/16/10/664281610.db2.gz JSAVVDSYMWONKV-NMKXLXIOSA-N 1 1 310.398 -1.501 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)n1cncn1 ZINC000958610589 664281651 /nfs/dbraw/zinc/28/16/51/664281651.db2.gz BRRWSHKWSFTLCF-MEWQQHAOSA-N 1 1 306.370 -1.026 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958618262 664281893 /nfs/dbraw/zinc/28/18/93/664281893.db2.gz QFTZHSMMOZPJOR-RFQIPJPRSA-N 1 1 320.397 -1.345 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617680 664282176 /nfs/dbraw/zinc/28/21/76/664282176.db2.gz FMFFPMXJKVFRKB-WPRPVWTQSA-N 1 1 306.326 -1.830 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958617680 664282179 /nfs/dbraw/zinc/28/21/79/664282179.db2.gz FMFFPMXJKVFRKB-WPRPVWTQSA-N 1 1 306.326 -1.830 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958630395 664282421 /nfs/dbraw/zinc/28/24/21/664282421.db2.gz HUUJAAVJYGOKAT-GWCFXTLKSA-N 1 1 322.365 -1.544 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626570 664282554 /nfs/dbraw/zinc/28/25/54/664282554.db2.gz RXRDWTBZVZOONJ-SVDPJWKOSA-N 1 1 322.369 -1.493 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958632564 664282566 /nfs/dbraw/zinc/28/25/66/664282566.db2.gz FSQHVVVIOIUVEW-IAZYJMLFSA-N 1 1 306.370 -1.250 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958632564 664282569 /nfs/dbraw/zinc/28/25/69/664282569.db2.gz FSQHVVVIOIUVEW-IAZYJMLFSA-N 1 1 306.370 -1.250 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958631338 664282665 /nfs/dbraw/zinc/28/26/65/664282665.db2.gz PVBFMBGHYVPYCY-NXEZZACHSA-N 1 1 300.334 -1.118 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cncnc1 ZINC000958641907 664283177 /nfs/dbraw/zinc/28/31/77/664283177.db2.gz CAPLLASRUHWOAM-SRRSOLGSSA-N 1 1 315.333 -1.058 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC000958639254 664283260 /nfs/dbraw/zinc/28/32/60/664283260.db2.gz AIHZFJMFKIBNAD-VXGBXAGGSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)[nH]c2)[C@H](O)C1 ZINC000958639254 664283262 /nfs/dbraw/zinc/28/32/62/664283262.db2.gz AIHZFJMFKIBNAD-VXGBXAGGSA-N 1 1 322.365 -1.102 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)c1N ZINC000958639077 664283422 /nfs/dbraw/zinc/28/34/22/664283422.db2.gz XLDOAILROAJITE-GDNZZTSVSA-N 1 1 316.369 -1.046 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1N ZINC000958634096 664283493 /nfs/dbraw/zinc/28/34/93/664283493.db2.gz VDYJODPJTPCFSN-ZRUFSTJUSA-N 1 1 304.354 -1.449 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)c1N ZINC000958634053 664283538 /nfs/dbraw/zinc/28/35/38/664283538.db2.gz UNINTQPAUKQFNQ-PJXYFTJBSA-N 1 1 318.381 -1.059 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)c1N ZINC000958634053 664283541 /nfs/dbraw/zinc/28/35/41/664283541.db2.gz UNINTQPAUKQFNQ-PJXYFTJBSA-N 1 1 318.381 -1.059 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958649714 664283940 /nfs/dbraw/zinc/28/39/40/664283940.db2.gz QITKQPGUUFCOBY-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958649714 664283945 /nfs/dbraw/zinc/28/39/45/664283945.db2.gz QITKQPGUUFCOBY-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648927 664284080 /nfs/dbraw/zinc/28/40/80/664284080.db2.gz DNOKMALQZSHHDV-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648927 664284081 /nfs/dbraw/zinc/28/40/81/664284081.db2.gz DNOKMALQZSHHDV-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC000958649154 664284086 /nfs/dbraw/zinc/28/40/86/664284086.db2.gz HRLIOUYLEDPIFI-ZYHUDNBSSA-N 1 1 310.354 -1.551 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653651 664284222 /nfs/dbraw/zinc/28/42/22/664284222.db2.gz NEDIUKQDVKJNRA-VHSXEESVSA-N 1 1 323.353 -1.756 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653652 664284447 /nfs/dbraw/zinc/28/44/47/664284447.db2.gz NEDIUKQDVKJNRA-ZJUUUORDSA-N 1 1 323.353 -1.756 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958649711 664284487 /nfs/dbraw/zinc/28/44/87/664284487.db2.gz QITKQPGUUFCOBY-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958649711 664284491 /nfs/dbraw/zinc/28/44/91/664284491.db2.gz QITKQPGUUFCOBY-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653281 664284519 /nfs/dbraw/zinc/28/45/19/664284519.db2.gz JHIXHNVYQMAYOE-YUMQZZPRSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653281 664284522 /nfs/dbraw/zinc/28/45/22/664284522.db2.gz JHIXHNVYQMAYOE-YUMQZZPRSA-N 1 1 322.325 -2.917 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958665481 664284782 /nfs/dbraw/zinc/28/47/82/664284782.db2.gz AGKPUGXXCJIZSK-KOLCDFICSA-N 1 1 310.354 -1.082 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC000958657574 664284800 /nfs/dbraw/zinc/28/48/00/664284800.db2.gz KXEVZURREGGGTP-QWHCGFSZSA-N 1 1 307.350 -1.200 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666336 664285045 /nfs/dbraw/zinc/28/50/45/664285045.db2.gz IXQJWAGXUNYWCE-WPRPVWTQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666336 664285049 /nfs/dbraw/zinc/28/50/49/664285049.db2.gz IXQJWAGXUNYWCE-WPRPVWTQSA-N 1 1 314.317 -1.522 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661600 664285288 /nfs/dbraw/zinc/28/52/88/664285288.db2.gz MLTZZNHUBGVADJ-CABZTGNLSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661600 664285292 /nfs/dbraw/zinc/28/52/92/664285292.db2.gz MLTZZNHUBGVADJ-CABZTGNLSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958654624 664285413 /nfs/dbraw/zinc/28/54/13/664285413.db2.gz UYQDTHVUVLZCMX-RKDXNWHRSA-N 1 1 309.326 -2.410 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670883 664286130 /nfs/dbraw/zinc/28/61/30/664286130.db2.gz CCQQEHPYFHEFKH-ONGXEEELSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670883 664286135 /nfs/dbraw/zinc/28/61/35/664286135.db2.gz CCQQEHPYFHEFKH-ONGXEEELSA-N 1 1 323.353 -2.118 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958666482 664286235 /nfs/dbraw/zinc/28/62/35/664286235.db2.gz LADSLEOVKCXPGX-KOLCDFICSA-N 1 1 310.354 -1.083 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666796 664286286 /nfs/dbraw/zinc/28/62/86/664286286.db2.gz PFMSOPMHUAFETO-CMPLNLGQSA-N 1 1 322.365 -1.082 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670880 664286312 /nfs/dbraw/zinc/28/63/12/664286312.db2.gz CCQQEHPYFHEFKH-GXSJLCMTSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670880 664286314 /nfs/dbraw/zinc/28/63/14/664286314.db2.gz CCQQEHPYFHEFKH-GXSJLCMTSA-N 1 1 323.353 -2.118 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000958671942 664286325 /nfs/dbraw/zinc/28/63/25/664286325.db2.gz OPCXLPDSXKXCOG-IMRBUKKESA-N 1 1 308.382 -1.401 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673660 664286608 /nfs/dbraw/zinc/28/66/08/664286608.db2.gz UXJLPETYAZGDHT-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673660 664286612 /nfs/dbraw/zinc/28/66/12/664286612.db2.gz UXJLPETYAZGDHT-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693463 664286759 /nfs/dbraw/zinc/28/67/59/664286759.db2.gz FRIXVCOWKWKIES-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693463 664286760 /nfs/dbraw/zinc/28/67/60/664286760.db2.gz FRIXVCOWKWKIES-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673113 664287124 /nfs/dbraw/zinc/28/71/24/664287124.db2.gz QAAMVHCLTAFUJD-JQWIXIFHSA-N 1 1 310.354 -1.218 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958673841 664287309 /nfs/dbraw/zinc/28/73/09/664287309.db2.gz XLYHFINFCJAMEU-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958673841 664287314 /nfs/dbraw/zinc/28/73/14/664287314.db2.gz XLYHFINFCJAMEU-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC000958695576 664287427 /nfs/dbraw/zinc/28/74/27/664287427.db2.gz FUFZRENCJYXGQV-RQJABVFESA-N 1 1 320.393 -1.258 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693511 664287449 /nfs/dbraw/zinc/28/74/49/664287449.db2.gz GSQRGRLJSYONJL-QWRGUYRKSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693511 664287452 /nfs/dbraw/zinc/28/74/52/664287452.db2.gz GSQRGRLJSYONJL-QWRGUYRKSA-N 1 1 321.337 -2.312 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)C1 ZINC000958697251 664287502 /nfs/dbraw/zinc/28/75/02/664287502.db2.gz LLJUOHQOZITMCK-OLRMPSLUSA-N 1 1 322.409 -1.012 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693510 664288008 /nfs/dbraw/zinc/28/80/08/664288008.db2.gz GSQRGRLJSYONJL-MNOVXSKESA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693510 664288014 /nfs/dbraw/zinc/28/80/14/664288014.db2.gz GSQRGRLJSYONJL-MNOVXSKESA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 ZINC000958693509 664288044 /nfs/dbraw/zinc/28/80/44/664288044.db2.gz GSQRGRLJSYONJL-GHMZBOCLSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 ZINC000958693509 664288047 /nfs/dbraw/zinc/28/80/47/664288047.db2.gz GSQRGRLJSYONJL-GHMZBOCLSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725398 664288391 /nfs/dbraw/zinc/28/83/91/664288391.db2.gz YPPVDGNPPUKZAT-SCZZXKLOSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725398 664288393 /nfs/dbraw/zinc/28/83/93/664288393.db2.gz YPPVDGNPPUKZAT-SCZZXKLOSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725400 664288401 /nfs/dbraw/zinc/28/84/01/664288401.db2.gz YPPVDGNPPUKZAT-WPRPVWTQSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725400 664288405 /nfs/dbraw/zinc/28/84/05/664288405.db2.gz YPPVDGNPPUKZAT-WPRPVWTQSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)c1csc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958726778 664288687 /nfs/dbraw/zinc/28/86/87/664288687.db2.gz AFOODQHJSZPMCU-ZJUUUORDSA-N 1 1 313.379 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725399 664288725 /nfs/dbraw/zinc/28/87/25/664288725.db2.gz YPPVDGNPPUKZAT-WCBMZHEXSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2noc3c2COCC3)C1 ZINC000958725399 664288727 /nfs/dbraw/zinc/28/87/27/664288727.db2.gz YPPVDGNPPUKZAT-WCBMZHEXSA-N 1 1 324.337 -1.745 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958727151 664288957 /nfs/dbraw/zinc/28/89/57/664288957.db2.gz IZTXAXQMOCMNNN-CZXHOFHRSA-N 1 1 301.350 -1.046 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729625 664289216 /nfs/dbraw/zinc/28/92/16/664289216.db2.gz WRRAGKGDIJGGDH-CMPLNLGQSA-N 1 1 324.385 -1.414 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n(C)c1=O ZINC000958735383 664289339 /nfs/dbraw/zinc/28/93/39/664289339.db2.gz CGBXVWGWJLVXPD-PSASIEDQSA-N 1 1 311.342 -2.768 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n(C)c1=O ZINC000958735383 664289343 /nfs/dbraw/zinc/28/93/43/664289343.db2.gz CGBXVWGWJLVXPD-PSASIEDQSA-N 1 1 311.342 -2.768 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 ZINC000958736574 664289616 /nfs/dbraw/zinc/28/96/16/664289616.db2.gz QHXPHCLLRNPKRJ-ZWNOBZJWSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n(C)c1=O ZINC000958735392 664289875 /nfs/dbraw/zinc/28/98/75/664289875.db2.gz CGBXVWGWJLVXPD-SCZZXKLOSA-N 1 1 311.342 -2.768 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n(C)c1=O ZINC000958735392 664289877 /nfs/dbraw/zinc/28/98/77/664289877.db2.gz CGBXVWGWJLVXPD-SCZZXKLOSA-N 1 1 311.342 -2.768 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735477 664289897 /nfs/dbraw/zinc/28/98/97/664289897.db2.gz CTUUMCNYTNJLPL-KWQFWETISA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735477 664289899 /nfs/dbraw/zinc/28/98/99/664289899.db2.gz CTUUMCNYTNJLPL-KWQFWETISA-N 1 1 321.337 -2.312 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000958728454 664289912 /nfs/dbraw/zinc/28/99/12/664289912.db2.gz ONAXPZPMSQWBIM-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729712 664289949 /nfs/dbraw/zinc/28/99/49/664289949.db2.gz XQQQKVZTYDPXOX-ONGXEEELSA-N 1 1 310.358 -1.806 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958740796 664290331 /nfs/dbraw/zinc/29/03/31/664290331.db2.gz VYGOWLGGTVAALU-GXFFZTMASA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958740796 664290333 /nfs/dbraw/zinc/29/03/33/664290333.db2.gz VYGOWLGGTVAALU-GXFFZTMASA-N 1 1 321.381 -1.345 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958736979 664290384 /nfs/dbraw/zinc/29/03/84/664290384.db2.gz CHVKPMYLSUJNFQ-SRRSOLGSSA-N 1 1 322.365 -1.236 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958740184 664290423 /nfs/dbraw/zinc/29/04/23/664290423.db2.gz KSQHSLGKGCMUCP-MNOVXSKESA-N 1 1 323.353 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958740184 664290425 /nfs/dbraw/zinc/29/04/25/664290425.db2.gz KSQHSLGKGCMUCP-MNOVXSKESA-N 1 1 323.353 -1.367 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958737143 664290683 /nfs/dbraw/zinc/29/06/83/664290683.db2.gz XVNXKVKIPKQAGH-CMPLNLGQSA-N 1 1 312.370 -1.607 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nc1 ZINC000958743999 664290943 /nfs/dbraw/zinc/29/09/43/664290943.db2.gz DNAKGLDKXKNVCU-CMPLNLGQSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nc1 ZINC000958744001 664291061 /nfs/dbraw/zinc/29/10/61/664291061.db2.gz DNAKGLDKXKNVCU-PWSUYJOCSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC000958745047 664291116 /nfs/dbraw/zinc/29/11/16/664291116.db2.gz ZJPAKBTVCQBLHU-AAEUAGOBSA-N 1 1 322.365 -1.415 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC000958746456 664291167 /nfs/dbraw/zinc/29/11/67/664291167.db2.gz GUNUKDJLOBJRTR-MIZYBKAJSA-N 1 1 308.338 -1.627 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958748997 664291430 /nfs/dbraw/zinc/29/14/30/664291430.db2.gz UTWRMHMDQBLPON-GXSJLCMTSA-N 1 1 323.353 -1.321 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958748997 664291431 /nfs/dbraw/zinc/29/14/31/664291431.db2.gz UTWRMHMDQBLPON-GXSJLCMTSA-N 1 1 323.353 -1.321 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958748274 664291452 /nfs/dbraw/zinc/29/14/52/664291452.db2.gz KKTPWLNFRYLYGD-YPMHNXCESA-N 1 1 322.365 -1.415 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958748101 664291660 /nfs/dbraw/zinc/29/16/60/664291660.db2.gz HPYKIXDCTXUECG-VHSXEESVSA-N 1 1 311.342 -1.511 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958748101 664291663 /nfs/dbraw/zinc/29/16/63/664291663.db2.gz HPYKIXDCTXUECG-VHSXEESVSA-N 1 1 311.342 -1.511 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958749244 664291834 /nfs/dbraw/zinc/29/18/34/664291834.db2.gz VQYUFLNOTSBZLR-ZYHUDNBSSA-N 1 1 308.338 -1.805 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958761976 664292084 /nfs/dbraw/zinc/29/20/84/664292084.db2.gz CMSRZICQYPCZHG-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958761976 664292088 /nfs/dbraw/zinc/29/20/88/664292088.db2.gz CMSRZICQYPCZHG-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958761977 664292362 /nfs/dbraw/zinc/29/23/62/664292362.db2.gz CMSRZICQYPCZHG-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958761977 664292364 /nfs/dbraw/zinc/29/23/64/664292364.db2.gz CMSRZICQYPCZHG-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958771541 664292675 /nfs/dbraw/zinc/29/26/75/664292675.db2.gz ZTWYRWWRJFSSSA-WDEREUQCSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958771541 664292676 /nfs/dbraw/zinc/29/26/76/664292676.db2.gz ZTWYRWWRJFSSSA-WDEREUQCSA-N 1 1 322.365 -1.012 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 ZINC000958769429 664292713 /nfs/dbraw/zinc/29/27/13/664292713.db2.gz ICBIHMAQMSWYCZ-DGCLKSJQSA-N 1 1 322.365 -1.151 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958762992 664292774 /nfs/dbraw/zinc/29/27/74/664292774.db2.gz PYMAEGMOENPTGE-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958762992 664292776 /nfs/dbraw/zinc/29/27/76/664292776.db2.gz PYMAEGMOENPTGE-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770004 664292884 /nfs/dbraw/zinc/29/28/84/664292884.db2.gz LXMGFELYSQADPW-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770004 664292885 /nfs/dbraw/zinc/29/28/85/664292885.db2.gz LXMGFELYSQADPW-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC000958785054 664293341 /nfs/dbraw/zinc/29/33/41/664293341.db2.gz IRUGQBCSEHWASF-RWMBFGLXSA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC000958785054 664293343 /nfs/dbraw/zinc/29/33/43/664293343.db2.gz IRUGQBCSEHWASF-RWMBFGLXSA-N 1 1 311.382 -1.243 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)n1 ZINC000958786036 664293432 /nfs/dbraw/zinc/29/34/32/664293432.db2.gz CBQFBDFYWXVFJB-ZRUFSTJUSA-N 1 1 304.354 -1.246 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000958788074 664293716 /nfs/dbraw/zinc/29/37/16/664293716.db2.gz SOELSZIBEMQADT-IAZYJMLFSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000958788074 664293717 /nfs/dbraw/zinc/29/37/17/664293717.db2.gz SOELSZIBEMQADT-IAZYJMLFSA-N 1 1 304.354 -1.293 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1ncc[nH]1 ZINC000958812228 664293789 /nfs/dbraw/zinc/29/37/89/664293789.db2.gz BRXBAYHMXJIPPF-JZYVYDRUSA-N 1 1 318.337 -1.379 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)n1 ZINC000958791940 664293891 /nfs/dbraw/zinc/29/38/91/664293891.db2.gz YSAKYHLSBDCNAG-URLYPYJESA-N 1 1 302.342 -1.233 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958850793 664296002 /nfs/dbraw/zinc/29/60/02/664296002.db2.gz PJXZTXDWINGCAX-DLOVCJGASA-N 1 1 322.369 -1.600 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958850430 664296322 /nfs/dbraw/zinc/29/63/22/664296322.db2.gz ZUDUPACSXPRRLT-DCAQKATOSA-N 1 1 322.369 -1.600 20 0 DAADMO CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000958905089 664299463 /nfs/dbraw/zinc/29/94/63/664299463.db2.gz RMRJDJKNXHSIET-GARWAMKOSA-N 1 1 323.393 -1.100 20 0 DAADMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958909249 664300306 /nfs/dbraw/zinc/30/03/06/664300306.db2.gz AJWVONDCFSFPFJ-PGUXBMHVSA-N 1 1 324.381 -2.012 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC000958944611 664304187 /nfs/dbraw/zinc/30/41/87/664304187.db2.gz VIFXWNGPSAMATH-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958945808 664305137 /nfs/dbraw/zinc/30/51/37/664305137.db2.gz SAEKHKQKWWGDFZ-LPEHRKFASA-N 1 1 314.342 -3.168 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958945808 664305140 /nfs/dbraw/zinc/30/51/40/664305140.db2.gz SAEKHKQKWWGDFZ-LPEHRKFASA-N 1 1 314.342 -3.168 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000958963998 664305427 /nfs/dbraw/zinc/30/54/27/664305427.db2.gz GFHIULVWLNZEOI-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958964611 664305772 /nfs/dbraw/zinc/30/57/72/664305772.db2.gz VGPYDHKDWPJWTF-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC000959843012 664311705 /nfs/dbraw/zinc/31/17/05/664311705.db2.gz BJCIHPOQAWEFFH-MPXOCVNLSA-N 1 1 306.370 -1.034 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000959843012 664311708 /nfs/dbraw/zinc/31/17/08/664311708.db2.gz BJCIHPOQAWEFFH-MPXOCVNLSA-N 1 1 306.370 -1.034 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000959843012 664311710 /nfs/dbraw/zinc/31/17/10/664311710.db2.gz BJCIHPOQAWEFFH-MPXOCVNLSA-N 1 1 306.370 -1.034 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2cnnn2)nn1 ZINC000959865728 664312059 /nfs/dbraw/zinc/31/20/59/664312059.db2.gz NHFBUANQNQXABZ-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000959888714 664312543 /nfs/dbraw/zinc/31/25/43/664312543.db2.gz REBZMBSHRWSZTH-WOFXILAISA-N 1 1 304.354 -1.312 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC000959888714 664312546 /nfs/dbraw/zinc/31/25/46/664312546.db2.gz REBZMBSHRWSZTH-WOFXILAISA-N 1 1 304.354 -1.312 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959900102 664313238 /nfs/dbraw/zinc/31/32/38/664313238.db2.gz KMOLGMIPAXEIDT-MIZYBKAJSA-N 1 1 305.342 -2.050 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959902751 664313276 /nfs/dbraw/zinc/31/32/76/664313276.db2.gz RNGRGSYMKAVOKJ-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959913556 664313616 /nfs/dbraw/zinc/31/36/16/664313616.db2.gz MWYMGXDWXINCGK-IAZYJMLFSA-N 1 1 303.330 -1.952 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959913556 664313619 /nfs/dbraw/zinc/31/36/19/664313619.db2.gz MWYMGXDWXINCGK-IAZYJMLFSA-N 1 1 303.330 -1.952 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(OC)ncn1 ZINC000959913146 664313712 /nfs/dbraw/zinc/31/37/12/664313712.db2.gz NWNFFVXCESMEQH-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(OC)ncn1 ZINC000959913146 664313713 /nfs/dbraw/zinc/31/37/13/664313713.db2.gz NWNFFVXCESMEQH-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000959945211 664313737 /nfs/dbraw/zinc/31/37/37/664313737.db2.gz WHMQYUXGOVXXDF-QEGBUVANSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000959945211 664313741 /nfs/dbraw/zinc/31/37/41/664313741.db2.gz WHMQYUXGOVXXDF-QEGBUVANSA-N 1 1 308.382 -1.307 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC000959990473 664314223 /nfs/dbraw/zinc/31/42/23/664314223.db2.gz UXHAWZLMBYTKRL-VHSXEESVSA-N 1 1 323.357 -1.211 20 0 DAADMO CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC1 ZINC000960017714 664314473 /nfs/dbraw/zinc/31/44/73/664314473.db2.gz CBEIZJQZNUYEOC-YABSGUDNSA-N 1 1 320.393 -1.209 20 0 DAADMO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC1 ZINC000960017714 664314475 /nfs/dbraw/zinc/31/44/75/664314475.db2.gz CBEIZJQZNUYEOC-YABSGUDNSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960067430 664314672 /nfs/dbraw/zinc/31/46/72/664314672.db2.gz PMFZZBNHSVMMJE-ZRUFSTJUSA-N 1 1 313.379 -2.034 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960067430 664314675 /nfs/dbraw/zinc/31/46/75/664314675.db2.gz PMFZZBNHSVMMJE-ZRUFSTJUSA-N 1 1 313.379 -2.034 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC000960117371 664315561 /nfs/dbraw/zinc/31/55/61/664315561.db2.gz YOJBILBXRAQOOT-WDEREUQCSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960109042 664315570 /nfs/dbraw/zinc/31/55/70/664315570.db2.gz FEQQKQZWYGGXBV-YABSGUDNSA-N 1 1 304.354 -1.397 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960109042 664315575 /nfs/dbraw/zinc/31/55/75/664315575.db2.gz FEQQKQZWYGGXBV-YABSGUDNSA-N 1 1 304.354 -1.397 20 0 DAADMO NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC000960108678 664315669 /nfs/dbraw/zinc/31/56/69/664315669.db2.gz WMLHFWYIKRPDDG-JTQLQIEISA-N 1 1 307.358 -1.036 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC000960117280 664315717 /nfs/dbraw/zinc/31/57/17/664315717.db2.gz YEBAMKIOPFXEOW-RYUDHWBXSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000960108538 664315779 /nfs/dbraw/zinc/31/57/79/664315779.db2.gz DIYXDBDMMMECET-COMAGPEQSA-N 1 1 318.337 -1.870 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960110073 664315784 /nfs/dbraw/zinc/31/57/84/664315784.db2.gz IOHHZXJPXIAJGI-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)nn1 ZINC000960117274 664315791 /nfs/dbraw/zinc/31/57/91/664315791.db2.gz YEBAMKIOPFXEOW-NWDGAFQWSA-N 1 1 321.385 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC000960155378 664316326 /nfs/dbraw/zinc/31/63/26/664316326.db2.gz KJMMZBRDGCQHSU-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO CC(C)N1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159448 664316778 /nfs/dbraw/zinc/31/67/78/664316778.db2.gz VYUDMNMFSRQXIW-KZWBYHQPSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(C)N1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159448 664316782 /nfs/dbraw/zinc/31/67/82/664316782.db2.gz VYUDMNMFSRQXIW-KZWBYHQPSA-N 1 1 308.382 -1.225 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1=O ZINC000960168277 664316870 /nfs/dbraw/zinc/31/68/70/664316870.db2.gz RWUUWYIFXCDSSZ-NMKXLXIOSA-N 1 1 311.382 -1.480 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1=O ZINC000960181175 664317070 /nfs/dbraw/zinc/31/70/70/664317070.db2.gz MNUPITSEAMOPAS-NMKXLXIOSA-N 1 1 318.381 -1.197 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1=O ZINC000960181172 664317159 /nfs/dbraw/zinc/31/71/59/664317159.db2.gz MNUPITSEAMOPAS-CIQGVGRVSA-N 1 1 318.381 -1.197 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960256102 664318035 /nfs/dbraw/zinc/31/80/35/664318035.db2.gz PUTCNQRPWCHCQP-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960256102 664318037 /nfs/dbraw/zinc/31/80/37/664318037.db2.gz PUTCNQRPWCHCQP-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307857 664318554 /nfs/dbraw/zinc/31/85/54/664318554.db2.gz NRJAFODPQVVMLB-DNJQJEMRSA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307857 664318557 /nfs/dbraw/zinc/31/85/57/664318557.db2.gz NRJAFODPQVVMLB-DNJQJEMRSA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000960300229 664318560 /nfs/dbraw/zinc/31/85/60/664318560.db2.gz VWRXHRRJCIHLLV-NQBHXWOUSA-N 1 1 317.349 -1.475 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960304681 664318684 /nfs/dbraw/zinc/31/86/84/664318684.db2.gz JCSYPOQVHAIIKH-DEKYYXRVSA-N 1 1 324.381 -1.845 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960310274 664318705 /nfs/dbraw/zinc/31/87/05/664318705.db2.gz ROWMRDRQPAIAIV-FJJYHAOUSA-N 1 1 311.382 -1.074 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960302701 664318844 /nfs/dbraw/zinc/31/88/44/664318844.db2.gz FAYJYKJCGRZDQZ-UUIJZJDISA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960329246 664319093 /nfs/dbraw/zinc/31/90/93/664319093.db2.gz PXZAXTYGWUWZBE-XBWDGYHZSA-N 1 1 305.338 -1.686 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O)N1CCC1 ZINC000960380719 664319662 /nfs/dbraw/zinc/31/96/62/664319662.db2.gz GLJASSRQBRHFFT-CIQGVGRVSA-N 1 1 320.393 -1.209 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000960416342 664320148 /nfs/dbraw/zinc/32/01/48/664320148.db2.gz BWLZYPNYJVJJNC-LOKLDPHHSA-N 1 1 305.338 -1.028 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1cnnn1)[C@@H]1CCCNC1=O ZINC000960405411 664320163 /nfs/dbraw/zinc/32/01/63/664320163.db2.gz DJFDQCNSKKKYSJ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cn[nH]c(=O)c1 ZINC000960416025 664320170 /nfs/dbraw/zinc/32/01/70/664320170.db2.gz YYNJTYISYYSZPW-MIZYBKAJSA-N 1 1 303.322 -1.269 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC000960413833 664320421 /nfs/dbraw/zinc/32/04/21/664320421.db2.gz QLOOKVBGHPXMJO-QAHWYCSRSA-N 1 1 305.338 -1.023 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1)N1CCC1 ZINC000960455796 664320794 /nfs/dbraw/zinc/32/07/94/664320794.db2.gz SEUHTQUZGUEATQ-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3[C@H]4C[N@H+](CC(N)=O)C[C@H]43)nn2c1 ZINC000960470241 664320960 /nfs/dbraw/zinc/32/09/60/664320960.db2.gz HBNGCCHVCJSONR-JZYVYDRUSA-N 1 1 315.337 -1.422 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3[C@H]4C[N@@H+](CC(N)=O)C[C@H]43)nn2c1 ZINC000960470241 664320961 /nfs/dbraw/zinc/32/09/61/664320961.db2.gz HBNGCCHVCJSONR-JZYVYDRUSA-N 1 1 315.337 -1.422 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CN=NC1=O)[C@H]1CCNC1=O ZINC000960573133 664321309 /nfs/dbraw/zinc/32/13/09/664321309.db2.gz YLMTYCYBUMLSDW-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960559958 664321438 /nfs/dbraw/zinc/32/14/38/664321438.db2.gz OXPOAGIVWVCEOA-DNJQJEMRSA-N 1 1 319.365 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960559958 664321441 /nfs/dbraw/zinc/32/14/41/664321441.db2.gz OXPOAGIVWVCEOA-DNJQJEMRSA-N 1 1 319.365 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C(N)=O)nc1 ZINC000960560533 664321549 /nfs/dbraw/zinc/32/15/49/664321549.db2.gz QVXDTQMOPVQHPQ-MSRIBSCDSA-N 1 1 317.349 -1.745 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C(N)=O)nc1 ZINC000960560533 664321552 /nfs/dbraw/zinc/32/15/52/664321552.db2.gz QVXDTQMOPVQHPQ-MSRIBSCDSA-N 1 1 317.349 -1.745 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000960522382 664321560 /nfs/dbraw/zinc/32/15/60/664321560.db2.gz VCCRPPVCDQQJRK-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000960522382 664321563 /nfs/dbraw/zinc/32/15/63/664321563.db2.gz VCCRPPVCDQQJRK-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1=O ZINC000960632368 664321781 /nfs/dbraw/zinc/32/17/81/664321781.db2.gz RZXQTPFFHXLQDF-JYAVWHMHSA-N 1 1 310.398 -1.811 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000960621432 664321891 /nfs/dbraw/zinc/32/18/91/664321891.db2.gz KGUIWWLZGYGGOX-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000960621432 664321893 /nfs/dbraw/zinc/32/18/93/664321893.db2.gz KGUIWWLZGYGGOX-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN2C(=O)Cn2ncnn2)C1=O ZINC000960650031 664322259 /nfs/dbraw/zinc/32/22/59/664322259.db2.gz ACSMIXGICPGKJE-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000960649933 664322270 /nfs/dbraw/zinc/32/22/70/664322270.db2.gz DRLVFWFBWIRLJQ-DCQANWLSSA-N 1 1 321.381 -1.025 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000960653936 664322414 /nfs/dbraw/zinc/32/24/14/664322414.db2.gz FGXFUERBJOQCRQ-PJXYFTJBSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000960653936 664322417 /nfs/dbraw/zinc/32/24/17/664322417.db2.gz FGXFUERBJOQCRQ-PJXYFTJBSA-N 1 1 302.396 -1.150 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645247 664322519 /nfs/dbraw/zinc/32/25/19/664322519.db2.gz FWDJVKKAQRRUGC-MEWQQHAOSA-N 1 1 309.370 -1.337 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC000960652375 664322547 /nfs/dbraw/zinc/32/25/47/664322547.db2.gz GCXMRSIDJPDTKR-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960662308 664322844 /nfs/dbraw/zinc/32/28/44/664322844.db2.gz RIKDGFKEJQAYKA-UUIJZJDISA-N 1 1 310.398 -1.812 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000960658497 664322866 /nfs/dbraw/zinc/32/28/66/664322866.db2.gz SNDPNPWFIPJPQH-XBWDGYHZSA-N 1 1 320.353 -1.922 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000960658497 664322868 /nfs/dbraw/zinc/32/28/68/664322868.db2.gz SNDPNPWFIPJPQH-XBWDGYHZSA-N 1 1 320.353 -1.922 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2ccnc2C1 ZINC000960659317 664323003 /nfs/dbraw/zinc/32/30/03/664323003.db2.gz LBHKBCNLDJGRTH-KZWBYHQPSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2ccnc2C1 ZINC000960659317 664323007 /nfs/dbraw/zinc/32/30/07/664323007.db2.gz LBHKBCNLDJGRTH-KZWBYHQPSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2cncn2C1 ZINC000960655005 664323085 /nfs/dbraw/zinc/32/30/85/664323085.db2.gz GVYGSZATVRVHHL-PQFRYHKHSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2cncn2C1 ZINC000960655005 664323088 /nfs/dbraw/zinc/32/30/88/664323088.db2.gz GVYGSZATVRVHHL-PQFRYHKHSA-N 1 1 303.366 -1.023 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC000960660492 664323092 /nfs/dbraw/zinc/32/30/92/664323092.db2.gz OGTOLEJAMMHANV-GOONRYMUSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC000960660492 664323095 /nfs/dbraw/zinc/32/30/95/664323095.db2.gz OGTOLEJAMMHANV-GOONRYMUSA-N 1 1 302.396 -1.152 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1cn[nH]n1 ZINC000960718137 664323417 /nfs/dbraw/zinc/32/34/17/664323417.db2.gz AITHYKXNNRRCGM-MEWQQHAOSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1cnn[nH]1 ZINC000960718137 664323419 /nfs/dbraw/zinc/32/34/19/664323419.db2.gz AITHYKXNNRRCGM-MEWQQHAOSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1cnn[nH]1 ZINC000960718137 664323421 /nfs/dbraw/zinc/32/34/21/664323421.db2.gz AITHYKXNNRRCGM-MEWQQHAOSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)N1CCC1 ZINC000960706716 664323540 /nfs/dbraw/zinc/32/35/40/664323540.db2.gz RMWXLVHPMYVHKW-FJJYHAOUSA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)ccc1=O ZINC000960750683 664323808 /nfs/dbraw/zinc/32/38/08/664323808.db2.gz OHNSEOOFERPWHL-KZVDOYCCSA-N 1 1 316.361 -1.066 20 0 DAADMO O=C(Cn1nnc(-c2ccco2)n1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960736742 664323900 /nfs/dbraw/zinc/32/39/00/664323900.db2.gz DYALXWOHIODEFS-IWIIMEHWSA-N 1 1 318.337 -1.028 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960747775 664323932 /nfs/dbraw/zinc/32/39/32/664323932.db2.gz FEVWXGDCAXHJFL-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960747775 664323934 /nfs/dbraw/zinc/32/39/34/664323934.db2.gz FEVWXGDCAXHJFL-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960751345 664323952 /nfs/dbraw/zinc/32/39/52/664323952.db2.gz PQSBRWYXPCVYJW-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960751345 664323954 /nfs/dbraw/zinc/32/39/54/664323954.db2.gz PQSBRWYXPCVYJW-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960760117 664324197 /nfs/dbraw/zinc/32/41/97/664324197.db2.gz RWPBJPKIUGLZKI-DCQANWLSSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960757792 664324415 /nfs/dbraw/zinc/32/44/15/664324415.db2.gz KUMXPOQUTGSJOT-SVDPJWKOSA-N 1 1 309.370 -1.678 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960757792 664324419 /nfs/dbraw/zinc/32/44/19/664324419.db2.gz KUMXPOQUTGSJOT-SVDPJWKOSA-N 1 1 309.370 -1.678 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960781372 664324694 /nfs/dbraw/zinc/32/46/94/664324694.db2.gz LUOIOKLJMKQIBP-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN1C(=O)C(N)=O ZINC000960833261 664325312 /nfs/dbraw/zinc/32/53/12/664325312.db2.gz WTPSBXZKUHXGBU-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN1C(=O)C(N)=O ZINC000960833261 664325314 /nfs/dbraw/zinc/32/53/14/664325314.db2.gz WTPSBXZKUHXGBU-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CC[C@@H]([N@H+](C)C[C@@H]2CCCN2C(=O)c2nnn(C)n2)C1=O ZINC000960817407 664325413 /nfs/dbraw/zinc/32/54/13/664325413.db2.gz VZOVWNKWTLYEER-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2ncnn21 ZINC000960858434 664325906 /nfs/dbraw/zinc/32/59/06/664325906.db2.gz UONLIQIBHQRFQB-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2ncnn21 ZINC000960858434 664325907 /nfs/dbraw/zinc/32/59/07/664325907.db2.gz UONLIQIBHQRFQB-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960862041 664326396 /nfs/dbraw/zinc/32/63/96/664326396.db2.gz WFZSDIVLZNGXPL-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960863036 664327071 /nfs/dbraw/zinc/32/70/71/664327071.db2.gz QPMCGRJAFACQFA-WDEREUQCSA-N 1 1 321.337 -1.885 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960868786 664327259 /nfs/dbraw/zinc/32/72/59/664327259.db2.gz XZKULYHRSKQMNS-QISWUMQESA-N 1 1 308.338 -1.624 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960870106 664327655 /nfs/dbraw/zinc/32/76/55/664327655.db2.gz JVEHHGQVEQDIKR-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960889453 664328230 /nfs/dbraw/zinc/32/82/30/664328230.db2.gz BLMNNUUHIWQZLU-DCQANWLSSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960889453 664328232 /nfs/dbraw/zinc/32/82/32/664328232.db2.gz BLMNNUUHIWQZLU-DCQANWLSSA-N 1 1 302.396 -1.150 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1C ZINC000960977697 664328503 /nfs/dbraw/zinc/32/85/03/664328503.db2.gz PHMYRYGMAGVIJY-APOZVJGGSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1C ZINC000960977697 664328505 /nfs/dbraw/zinc/32/85/05/664328505.db2.gz PHMYRYGMAGVIJY-APOZVJGGSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nn1C ZINC000960981722 664328518 /nfs/dbraw/zinc/32/85/18/664328518.db2.gz XKHWVEFOFKKVMD-IZWKTGJZSA-N 1 1 319.365 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960979841 664328670 /nfs/dbraw/zinc/32/86/70/664328670.db2.gz JJTPISVUNJGXMZ-MBTKJCJQSA-N 1 1 301.310 -1.502 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960979841 664328674 /nfs/dbraw/zinc/32/86/74/664328674.db2.gz JJTPISVUNJGXMZ-MBTKJCJQSA-N 1 1 301.310 -1.502 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000961067885 664329989 /nfs/dbraw/zinc/32/99/89/664329989.db2.gz ORFNDKQTSCHEAT-UPJWGTAASA-N 1 1 309.370 -1.479 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC000961071032 664330769 /nfs/dbraw/zinc/33/07/69/664330769.db2.gz ZELXSLCMTCKBTG-ZJUUUORDSA-N 1 1 321.324 -1.338 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)O1 ZINC000961086538 664331723 /nfs/dbraw/zinc/33/17/23/664331723.db2.gz GFZQXEXAACBXEE-DOLQZWNJSA-N 1 1 321.324 -1.342 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)O1 ZINC000961086538 664331727 /nfs/dbraw/zinc/33/17/27/664331727.db2.gz GFZQXEXAACBXEE-DOLQZWNJSA-N 1 1 321.324 -1.342 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)C1 ZINC000961102492 664332390 /nfs/dbraw/zinc/33/23/90/664332390.db2.gz YFEDZWJTSXWIFY-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@@H](O)C2)C1 ZINC000961102492 664332391 /nfs/dbraw/zinc/33/23/91/664332391.db2.gz YFEDZWJTSXWIFY-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000961107195 664332669 /nfs/dbraw/zinc/33/26/69/664332669.db2.gz XCBCTAWQNUDQNU-RYUDHWBXSA-N 1 1 321.385 -1.281 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)C1 ZINC000961143267 664333316 /nfs/dbraw/zinc/33/33/16/664333316.db2.gz KNPLHYWYXHUAEP-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)C1 ZINC000961143267 664333320 /nfs/dbraw/zinc/33/33/20/664333320.db2.gz KNPLHYWYXHUAEP-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961155330 664333632 /nfs/dbraw/zinc/33/36/32/664333632.db2.gz ZTPUPYVNRZPBQB-PJXYFTJBSA-N 1 1 317.411 -1.549 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)C1 ZINC000961161578 664334023 /nfs/dbraw/zinc/33/40/23/664334023.db2.gz HNMBOAUDBCBSNE-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)C1 ZINC000961161578 664334025 /nfs/dbraw/zinc/33/40/25/664334025.db2.gz HNMBOAUDBCBSNE-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961220415 664335041 /nfs/dbraw/zinc/33/50/41/664335041.db2.gz LHEOYVXRCIZEGR-RVMXOQNASA-N 1 1 322.409 -1.024 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235047 664335584 /nfs/dbraw/zinc/33/55/84/664335584.db2.gz PXGSEOIQWKHIBJ-GHMZBOCLSA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235047 664335588 /nfs/dbraw/zinc/33/55/88/664335588.db2.gz PXGSEOIQWKHIBJ-GHMZBOCLSA-N 1 1 321.385 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961247208 664335723 /nfs/dbraw/zinc/33/57/23/664335723.db2.gz YVBAXLDFSWYFLX-OUAUKWLOSA-N 1 1 310.354 -2.281 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961247208 664335726 /nfs/dbraw/zinc/33/57/26/664335726.db2.gz YVBAXLDFSWYFLX-OUAUKWLOSA-N 1 1 310.354 -2.281 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1Cc2cncn2C(=O)N1 ZINC000961312387 664336866 /nfs/dbraw/zinc/33/68/66/664336866.db2.gz LNIDZMUQMSZOFF-QNWHQSFQSA-N 1 1 319.365 -1.206 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961326500 664336942 /nfs/dbraw/zinc/33/69/42/664336942.db2.gz UUQBHZAUTAPHQB-KZWBYHQPSA-N 1 1 318.381 -1.319 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961326500 664336945 /nfs/dbraw/zinc/33/69/45/664336945.db2.gz UUQBHZAUTAPHQB-KZWBYHQPSA-N 1 1 318.381 -1.319 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC000961317213 664337019 /nfs/dbraw/zinc/33/70/19/664337019.db2.gz YLJWAIXOBDWYFZ-MDHDOXDCSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC000961317213 664337021 /nfs/dbraw/zinc/33/70/21/664337021.db2.gz YLJWAIXOBDWYFZ-MDHDOXDCSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961408910 664339374 /nfs/dbraw/zinc/33/93/74/664339374.db2.gz FPSJZKRQFBEGAZ-YABSGUDNSA-N 1 1 317.349 -1.465 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961447399 664341336 /nfs/dbraw/zinc/34/13/36/664341336.db2.gz FMOFMBFOJCRMMP-QAHWYCSRSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961447399 664341338 /nfs/dbraw/zinc/34/13/38/664341338.db2.gz FMOFMBFOJCRMMP-QAHWYCSRSA-N 1 1 315.337 -1.342 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000961451501 664341786 /nfs/dbraw/zinc/34/17/86/664341786.db2.gz HSVLVMXDLMHSJU-WYUUTHIRSA-N 1 1 304.354 -1.502 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000961451501 664341788 /nfs/dbraw/zinc/34/17/88/664341788.db2.gz HSVLVMXDLMHSJU-WYUUTHIRSA-N 1 1 304.354 -1.502 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC000961454766 664341827 /nfs/dbraw/zinc/34/18/27/664341827.db2.gz QXICGHWZYXNSKY-CIQGVGRVSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)NC1=O ZINC000961465856 664342124 /nfs/dbraw/zinc/34/21/24/664342124.db2.gz JDKKMQQEPCWOCF-XQHKEYJVSA-N 1 1 318.381 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961462633 664342131 /nfs/dbraw/zinc/34/21/31/664342131.db2.gz VZRUNMDDFAMPPG-MSRIBSCDSA-N 1 1 309.370 -2.789 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961462633 664342133 /nfs/dbraw/zinc/34/21/33/664342133.db2.gz VZRUNMDDFAMPPG-MSRIBSCDSA-N 1 1 309.370 -2.789 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)NC1=O ZINC000961462626 664342219 /nfs/dbraw/zinc/34/22/19/664342219.db2.gz CDZXGKJXNRRXLC-KXNHARMFSA-N 1 1 319.369 -1.652 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)NC1=O ZINC000961472163 664342650 /nfs/dbraw/zinc/34/26/50/664342650.db2.gz XJLOCYHFSJVEKY-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)NC1=O ZINC000961472163 664342656 /nfs/dbraw/zinc/34/26/56/664342656.db2.gz XJLOCYHFSJVEKY-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)NC1=O ZINC000961475941 664342810 /nfs/dbraw/zinc/34/28/10/664342810.db2.gz FELQMZKKUVKOIB-WHOHXGKFSA-N 1 1 319.369 -1.615 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)NC1=O ZINC000961475941 664342812 /nfs/dbraw/zinc/34/28/12/664342812.db2.gz FELQMZKKUVKOIB-WHOHXGKFSA-N 1 1 319.369 -1.615 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000961472939 664342985 /nfs/dbraw/zinc/34/29/85/664342985.db2.gz XMWMSJKARKYALH-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1)OC ZINC000961479518 664343178 /nfs/dbraw/zinc/34/31/78/664343178.db2.gz MWUNSKIDAYHYQW-BCUIYNNISA-N 1 1 324.425 -1.110 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961482353 664343394 /nfs/dbraw/zinc/34/33/94/664343394.db2.gz UTGFUIXUECWGJH-FJJYHAOUSA-N 1 1 310.398 -1.501 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961496873 664343990 /nfs/dbraw/zinc/34/39/90/664343990.db2.gz IKFBKVGGDZJROG-OZTPJHRESA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961496873 664343993 /nfs/dbraw/zinc/34/39/93/664343993.db2.gz IKFBKVGGDZJROG-OZTPJHRESA-N 1 1 320.393 -1.068 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000961502136 664344237 /nfs/dbraw/zinc/34/42/37/664344237.db2.gz CNCARQLWOGPXMZ-JZYVYDRUSA-N 1 1 305.342 -1.851 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000961502136 664344242 /nfs/dbraw/zinc/34/42/42/664344242.db2.gz CNCARQLWOGPXMZ-JZYVYDRUSA-N 1 1 305.342 -1.851 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnn(C)n2)cn1 ZINC000961505116 664344502 /nfs/dbraw/zinc/34/45/02/664344502.db2.gz MRYNMMSONLQSDF-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1=O ZINC000961538430 664345534 /nfs/dbraw/zinc/34/55/34/664345534.db2.gz JCEVMNIYLYOSIT-NDBYEHHHSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1=O ZINC000961538430 664345536 /nfs/dbraw/zinc/34/55/36/664345536.db2.gz JCEVMNIYLYOSIT-NDBYEHHHSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1=O ZINC000961543162 664345823 /nfs/dbraw/zinc/34/58/23/664345823.db2.gz RETCKBWZUNRONA-CIQGVGRVSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1=O ZINC000961543162 664345827 /nfs/dbraw/zinc/34/58/27/664345827.db2.gz RETCKBWZUNRONA-CIQGVGRVSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)nc[nH]c1=O ZINC000961546087 664346126 /nfs/dbraw/zinc/34/61/26/664346126.db2.gz SPCDVWLTAWXVEZ-GDGBQDQQSA-N 1 1 305.338 -1.103 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)nc[nH]c1=O ZINC000961546087 664346128 /nfs/dbraw/zinc/34/61/28/664346128.db2.gz SPCDVWLTAWXVEZ-GDGBQDQQSA-N 1 1 305.338 -1.103 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)C1 ZINC000961542723 664346152 /nfs/dbraw/zinc/34/61/52/664346152.db2.gz WJVFFAMFRWIYRB-AGIUHOORSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)C1 ZINC000961542723 664346156 /nfs/dbraw/zinc/34/61/56/664346156.db2.gz WJVFFAMFRWIYRB-AGIUHOORSA-N 1 1 323.349 -1.088 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961553708 664346735 /nfs/dbraw/zinc/34/67/35/664346735.db2.gz QERPSPUBVCYSFB-SKXCBFGFSA-N 1 1 319.361 -1.270 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961581567 664347315 /nfs/dbraw/zinc/34/73/15/664347315.db2.gz IKFBKVGGDZJROG-ZAZJYDDPSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961581567 664347317 /nfs/dbraw/zinc/34/73/17/664347317.db2.gz IKFBKVGGDZJROG-ZAZJYDDPSA-N 1 1 320.393 -1.068 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961619194 664347896 /nfs/dbraw/zinc/34/78/96/664347896.db2.gz AHOHLBUVUQFBOH-RBPQBLHMSA-N 1 1 305.338 -1.306 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000961622173 664348129 /nfs/dbraw/zinc/34/81/29/664348129.db2.gz JVBUSVYEBMTSFV-IZWKTGJZSA-N 1 1 317.349 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961629547 664348694 /nfs/dbraw/zinc/34/86/94/664348694.db2.gz XEAMITBCNBQHCG-APOZVJGGSA-N 1 1 305.338 -1.436 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961628263 664348750 /nfs/dbraw/zinc/34/87/50/664348750.db2.gz KYKYTMFTZCOOHV-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961628263 664348751 /nfs/dbraw/zinc/34/87/51/664348751.db2.gz KYKYTMFTZCOOHV-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)on1 ZINC000961630090 664348952 /nfs/dbraw/zinc/34/89/52/664348952.db2.gz PKCWAALBJOYVIM-KLBPJQLPSA-N 1 1 321.337 -1.089 20 0 DAADMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)on1 ZINC000961630090 664348954 /nfs/dbraw/zinc/34/89/54/664348954.db2.gz PKCWAALBJOYVIM-KLBPJQLPSA-N 1 1 321.337 -1.089 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961630893 664349048 /nfs/dbraw/zinc/34/90/48/664349048.db2.gz RDOXJFAISXNWOL-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961639685 664349303 /nfs/dbraw/zinc/34/93/03/664349303.db2.gz OARIHFCDLLAQIL-SRRSOLGSSA-N 1 1 321.381 -1.663 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC000961635330 664349384 /nfs/dbraw/zinc/34/93/84/664349384.db2.gz FHXHUBYJDJYSDF-GDNZZTSVSA-N 1 1 302.334 -1.183 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC000961646420 664350348 /nfs/dbraw/zinc/35/03/48/664350348.db2.gz HUNFRRDFCWYXHD-ZNSHCXBVSA-N 1 1 315.395 -1.657 20 0 DAADMO CC(C)(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1=O ZINC000961653499 664350633 /nfs/dbraw/zinc/35/06/33/664350633.db2.gz ZLPSZSDXRLWKOR-ZRUFSTJUSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961663920 664351724 /nfs/dbraw/zinc/35/17/24/664351724.db2.gz CLMHCCQCJRGLFG-OHBODLIOSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CCC(=O)N1 ZINC000961689115 664352212 /nfs/dbraw/zinc/35/22/12/664352212.db2.gz RQOHYRZUDPNHBA-CIGZNWKYSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]c1=O ZINC000961681729 664352261 /nfs/dbraw/zinc/35/22/61/664352261.db2.gz POEWXGZVOHDHCK-MKHNBGRSSA-N 1 1 305.338 -1.326 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000961681729 664352264 /nfs/dbraw/zinc/35/22/64/664352264.db2.gz POEWXGZVOHDHCK-MKHNBGRSSA-N 1 1 305.338 -1.326 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000961681729 664352268 /nfs/dbraw/zinc/35/22/68/664352268.db2.gz POEWXGZVOHDHCK-MKHNBGRSSA-N 1 1 305.338 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC000961704336 664353503 /nfs/dbraw/zinc/35/35/03/664353503.db2.gz VNABBGJKHCGRPI-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CN3CCOCC3)C2)n1 ZINC000961722881 664354042 /nfs/dbraw/zinc/35/40/42/664354042.db2.gz ASDAVJRJHDCKMC-UHFFFAOYSA-N 1 1 323.401 -1.473 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC000961737287 664354544 /nfs/dbraw/zinc/35/45/44/664354544.db2.gz ONZROSNGBPIVQG-KLBPJQLPSA-N 1 1 318.333 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961744069 664354724 /nfs/dbraw/zinc/35/47/24/664354724.db2.gz VXFRPQKTPFSVPA-WOPDTQHZSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961744069 664354727 /nfs/dbraw/zinc/35/47/27/664354727.db2.gz VXFRPQKTPFSVPA-WOPDTQHZSA-N 1 1 324.337 -1.693 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3COCCN3C)C2)n1 ZINC000961740914 664354822 /nfs/dbraw/zinc/35/48/22/664354822.db2.gz LPPNRIAMPJDLDL-HTAVTVPLSA-N 1 1 323.401 -1.475 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC000961737288 664354969 /nfs/dbraw/zinc/35/49/69/664354969.db2.gz ONZROSNGBPIVQG-MIZYBKAJSA-N 1 1 318.333 -1.073 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961752856 664355227 /nfs/dbraw/zinc/35/52/27/664355227.db2.gz LBNPPDQKJJXGCR-HEQLZXTPSA-N 1 1 316.361 -1.066 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3cnnn3C)C2)n1 ZINC000961790224 664356333 /nfs/dbraw/zinc/35/63/33/664356333.db2.gz LTNKDMMCLGMHFP-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC000961791874 664356875 /nfs/dbraw/zinc/35/68/75/664356875.db2.gz UPFVSQNGXGQGOR-FCMYFTRRSA-N 1 1 317.349 -1.338 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000961817283 664357848 /nfs/dbraw/zinc/35/78/48/664357848.db2.gz QPHFEXZJYKLSTG-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961877534 664359699 /nfs/dbraw/zinc/35/96/99/664359699.db2.gz NUVRPSJXZVCFNJ-USWWRNFRSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961877534 664359702 /nfs/dbraw/zinc/35/97/02/664359702.db2.gz NUVRPSJXZVCFNJ-USWWRNFRSA-N 1 1 324.337 -1.693 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(C)nn1C ZINC000961909353 664360713 /nfs/dbraw/zinc/36/07/13/664360713.db2.gz ISTZLSGJHYLTGC-GDGBQDQQSA-N 1 1 307.354 -1.118 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(C)nn1C ZINC000961909353 664360714 /nfs/dbraw/zinc/36/07/14/664360714.db2.gz ISTZLSGJHYLTGC-GDGBQDQQSA-N 1 1 307.354 -1.118 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961900246 664360752 /nfs/dbraw/zinc/36/07/52/664360752.db2.gz RFELVBVHZZCTKW-UMNHJUIQSA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000961903194 664360771 /nfs/dbraw/zinc/36/07/71/664360771.db2.gz OUVYBQRGILZTAM-HSOILSAZSA-N 1 1 321.385 -1.327 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCCS(=O)(=O)C1 ZINC000961913259 664360796 /nfs/dbraw/zinc/36/07/96/664360796.db2.gz TWKGXWZZOGYSCJ-NNYUYHANSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCCS(=O)(=O)C1 ZINC000961913259 664360800 /nfs/dbraw/zinc/36/08/00/664360800.db2.gz TWKGXWZZOGYSCJ-NNYUYHANSA-N 1 1 302.396 -1.150 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC000961928266 664361168 /nfs/dbraw/zinc/36/11/68/664361168.db2.gz NXWVNXYSSJJLLD-JLLWLGSASA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O ZINC000961926744 664361360 /nfs/dbraw/zinc/36/13/60/664361360.db2.gz BGUPPHDWZCZAEH-UTUOFQBUSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC000961927741 664361791 /nfs/dbraw/zinc/36/17/91/664361791.db2.gz KGLMUWUEFWRQEP-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC000961924514 664361811 /nfs/dbraw/zinc/36/18/11/664361811.db2.gz XSLFFZAYNWIPGJ-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O ZINC000961927349 664361830 /nfs/dbraw/zinc/36/18/30/664361830.db2.gz GEGMZDKECQLTPJ-WOPDTQHZSA-N 1 1 313.398 -1.071 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC000961928267 664362059 /nfs/dbraw/zinc/36/20/59/664362059.db2.gz NXWVNXYSSJJLLD-USWWRNFRSA-N 1 1 322.369 -1.789 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000961936569 664362157 /nfs/dbraw/zinc/36/21/57/664362157.db2.gz DHKVIKVZXLLHAW-JZYVYDRUSA-N 1 1 324.337 -1.900 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000961931431 664362170 /nfs/dbraw/zinc/36/21/70/664362170.db2.gz JJLZWZTZGWTRBK-MXWKQRLJSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000961931431 664362173 /nfs/dbraw/zinc/36/21/73/664362173.db2.gz JJLZWZTZGWTRBK-MXWKQRLJSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O ZINC000961933257 664362220 /nfs/dbraw/zinc/36/22/20/664362220.db2.gz SHKDLTMOKFKCDV-FDFVQJQPSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC000961933952 664362325 /nfs/dbraw/zinc/36/23/25/664362325.db2.gz YCYYBWCNPBTJJY-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961930360 664362436 /nfs/dbraw/zinc/36/24/36/664362436.db2.gz DSVNZLPTOJDVNV-VWYCJHECSA-N 1 1 322.369 -1.491 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O ZINC000961934028 664362455 /nfs/dbraw/zinc/36/24/55/664362455.db2.gz ZOEXCEFSUNXTQI-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000961928710 664362503 /nfs/dbraw/zinc/36/25/03/664362503.db2.gz SSFCVXNAILYVGB-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000961928710 664362506 /nfs/dbraw/zinc/36/25/06/664362506.db2.gz SSFCVXNAILYVGB-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961929185 664362520 /nfs/dbraw/zinc/36/25/20/664362520.db2.gz WBJREHSAEHWGHU-UTUOFQBUSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961954963 664362873 /nfs/dbraw/zinc/36/28/73/664362873.db2.gz CABIDOBLMYKIHQ-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000961962144 664362944 /nfs/dbraw/zinc/36/29/44/664362944.db2.gz BMPCDNMLYGQJTC-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCCNC3=O)C2)n1 ZINC000961947763 664362985 /nfs/dbraw/zinc/36/29/85/664362985.db2.gz DPVUQYFJDCSSPY-VQXHTEKXSA-N 1 1 321.385 -1.279 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC000961942536 664363117 /nfs/dbraw/zinc/36/31/17/664363117.db2.gz ZEFPYVAJUCIBGG-JZYVYDRUSA-N 1 1 324.337 -2.164 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1 ZINC000961981784 664363530 /nfs/dbraw/zinc/36/35/30/664363530.db2.gz AQPNWSZOGZFMIZ-UHTWSYAYSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O ZINC000961963566 664363692 /nfs/dbraw/zinc/36/36/92/664363692.db2.gz HGDZLZMPFIFGMU-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC000962007090 664364605 /nfs/dbraw/zinc/36/46/05/664364605.db2.gz QNZVFZIRQBVFSO-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1 ZINC000962012124 664364773 /nfs/dbraw/zinc/36/47/73/664364773.db2.gz QMCHIQNUDGFQKR-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 ZINC000962018653 664365008 /nfs/dbraw/zinc/36/50/08/664365008.db2.gz IEDFBFLNPFIKLY-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 ZINC000962018653 664365011 /nfs/dbraw/zinc/36/50/11/664365011.db2.gz IEDFBFLNPFIKLY-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC000962014479 664365105 /nfs/dbraw/zinc/36/51/05/664365105.db2.gz ZDYSMGIYCHJGKD-ZRUFSTJUSA-N 1 1 303.384 -1.941 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)n1 ZINC000962020429 664365116 /nfs/dbraw/zinc/36/51/16/664365116.db2.gz GTDTYAFZNFVICD-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000962020697 664365271 /nfs/dbraw/zinc/36/52/71/664365271.db2.gz MWGFEDFRWBUVMU-FJJYHAOUSA-N 1 1 318.381 -1.007 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000962031874 664365621 /nfs/dbraw/zinc/36/56/21/664365621.db2.gz AISSIYGXIARFDJ-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000962031874 664365622 /nfs/dbraw/zinc/36/56/22/664365622.db2.gz AISSIYGXIARFDJ-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000962046537 664365926 /nfs/dbraw/zinc/36/59/26/664365926.db2.gz URPAKYRYCMMJJD-BSJXLVFVSA-N 1 1 304.354 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)C1 ZINC000962044601 664365941 /nfs/dbraw/zinc/36/59/41/664365941.db2.gz BENBTRNNCNZGDG-AGIUHOORSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)C1 ZINC000962044601 664365942 /nfs/dbraw/zinc/36/59/42/664365942.db2.gz BENBTRNNCNZGDG-AGIUHOORSA-N 1 1 323.349 -1.088 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045260 664365973 /nfs/dbraw/zinc/36/59/73/664365973.db2.gz CZTSTKGNYKKEBT-HHDLAKJASA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045260 664365977 /nfs/dbraw/zinc/36/59/77/664365977.db2.gz CZTSTKGNYKKEBT-HHDLAKJASA-N 1 1 311.382 -1.029 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045411 664366001 /nfs/dbraw/zinc/36/60/01/664366001.db2.gz GPWSVQPQXPCKEN-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045411 664366005 /nfs/dbraw/zinc/36/60/05/664366005.db2.gz GPWSVQPQXPCKEN-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2O)C1 ZINC000962047007 664366015 /nfs/dbraw/zinc/36/60/15/664366015.db2.gz MKFHTVFJCSWUGP-RVFNEKRJSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2O)C1 ZINC000962047007 664366020 /nfs/dbraw/zinc/36/60/20/664366020.db2.gz MKFHTVFJCSWUGP-RVFNEKRJSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000962048450 664366691 /nfs/dbraw/zinc/36/66/91/664366691.db2.gz RQDPNCMYYYEQSR-HRDYMLBCSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000962048450 664366695 /nfs/dbraw/zinc/36/66/95/664366695.db2.gz RQDPNCMYYYEQSR-HRDYMLBCSA-N 1 1 307.297 -1.730 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3[C@H]4C[N@@H+](CCO)C[C@H]43)cn2n1 ZINC000962065397 664366743 /nfs/dbraw/zinc/36/67/43/664366743.db2.gz IGKXCBUHOPIHNI-IWIIMEHWSA-N 1 1 317.349 -1.017 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)ccc1=O ZINC000962067398 664366894 /nfs/dbraw/zinc/36/68/94/664366894.db2.gz NMGCHRULKHPBPT-DNJQJEMRSA-N 1 1 319.365 -1.203 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962059127 664366934 /nfs/dbraw/zinc/36/69/34/664366934.db2.gz LHVLHTDBMYPBRV-DNJQJEMRSA-N 1 1 310.354 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000962049441 664366947 /nfs/dbraw/zinc/36/69/47/664366947.db2.gz ZFZFYKRYMXOUOJ-USWWRNFRSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000962049441 664366949 /nfs/dbraw/zinc/36/69/49/664366949.db2.gz ZFZFYKRYMXOUOJ-USWWRNFRSA-N 1 1 324.337 -1.693 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1nnc[nH]1 ZINC000962086149 664367237 /nfs/dbraw/zinc/36/72/37/664367237.db2.gz PHKQKBKUNHYHRQ-MYJAWHEDSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962086149 664367238 /nfs/dbraw/zinc/36/72/38/664367238.db2.gz PHKQKBKUNHYHRQ-MYJAWHEDSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962086149 664367239 /nfs/dbraw/zinc/36/72/39/664367239.db2.gz PHKQKBKUNHYHRQ-MYJAWHEDSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962086149 664367241 /nfs/dbraw/zinc/36/72/41/664367241.db2.gz PHKQKBKUNHYHRQ-MYJAWHEDSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962086149 664367243 /nfs/dbraw/zinc/36/72/43/664367243.db2.gz PHKQKBKUNHYHRQ-MYJAWHEDSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1nnc[nH]1 ZINC000962099832 664368033 /nfs/dbraw/zinc/36/80/33/664368033.db2.gz MZFOQVQJMGXWHO-NNYUYHANSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1ncn[nH]1 ZINC000962099832 664368036 /nfs/dbraw/zinc/36/80/36/664368036.db2.gz MZFOQVQJMGXWHO-NNYUYHANSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1ncn[nH]1 ZINC000962099832 664368039 /nfs/dbraw/zinc/36/80/39/664368039.db2.gz MZFOQVQJMGXWHO-NNYUYHANSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1nc[nH]n1 ZINC000962099832 664368040 /nfs/dbraw/zinc/36/80/40/664368040.db2.gz MZFOQVQJMGXWHO-NNYUYHANSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)c1nc[nH]n1 ZINC000962099832 664368043 /nfs/dbraw/zinc/36/80/43/664368043.db2.gz MZFOQVQJMGXWHO-NNYUYHANSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1cnon1 ZINC000962106564 664368050 /nfs/dbraw/zinc/36/80/50/664368050.db2.gz FMIDBUIFEBZIAN-DCQANWLSSA-N 1 1 318.337 -1.013 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962151151 664368340 /nfs/dbraw/zinc/36/83/40/664368340.db2.gz WAQNTAATZCTJGQ-AEISUSGSSA-N 1 1 317.349 -1.196 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC000962167621 664368696 /nfs/dbraw/zinc/36/86/96/664368696.db2.gz CVHYGFZCNSXNLI-UDNWOFFPSA-N 1 1 322.373 -1.782 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962187743 664369432 /nfs/dbraw/zinc/36/94/32/664369432.db2.gz AFXDGVPUNFQVPS-VROVMSAKSA-N 1 1 323.353 -2.152 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962187743 664369435 /nfs/dbraw/zinc/36/94/35/664369435.db2.gz AFXDGVPUNFQVPS-VROVMSAKSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216431 664369829 /nfs/dbraw/zinc/36/98/29/664369829.db2.gz GWFUYYOAOVPUCJ-XBWDGYHZSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216431 664369831 /nfs/dbraw/zinc/36/98/31/664369831.db2.gz GWFUYYOAOVPUCJ-XBWDGYHZSA-N 1 1 323.353 -2.152 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 ZINC000962195122 664369836 /nfs/dbraw/zinc/36/98/36/664369836.db2.gz STOBGMQARYDZLQ-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 ZINC000962195122 664369837 /nfs/dbraw/zinc/36/98/37/664369837.db2.gz STOBGMQARYDZLQ-WOFXILAISA-N 1 1 305.338 -1.109 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962225544 664370316 /nfs/dbraw/zinc/37/03/16/664370316.db2.gz AZDQSGDAAKIDGN-REJLFOLJSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962225544 664370319 /nfs/dbraw/zinc/37/03/19/664370319.db2.gz AZDQSGDAAKIDGN-REJLFOLJSA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC000962235246 664370645 /nfs/dbraw/zinc/37/06/45/664370645.db2.gz WOJSPTBHDYRHHZ-UHFFFAOYSA-N 1 1 318.341 -1.408 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC000962244504 664370772 /nfs/dbraw/zinc/37/07/72/664370772.db2.gz CCYHYKKSYPKMFH-HACHORDNSA-N 1 1 308.346 -2.124 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000962250501 664371221 /nfs/dbraw/zinc/37/12/21/664371221.db2.gz OUIBFPMYAVZRCS-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)c1 ZINC000962275709 664371983 /nfs/dbraw/zinc/37/19/83/664371983.db2.gz FKVZVBVISKEDHS-RTXFEEFZSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000962289601 664372177 /nfs/dbraw/zinc/37/21/77/664372177.db2.gz RHWIIMYBILAOMQ-XBWDGYHZSA-N 1 1 318.337 -1.542 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962286744 664372439 /nfs/dbraw/zinc/37/24/39/664372439.db2.gz KTFBYZDAPYVDPO-KZWBYHQPSA-N 1 1 324.381 -1.038 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962288092 664372483 /nfs/dbraw/zinc/37/24/83/664372483.db2.gz NPRRMZNYEOEQKD-IWIIMEHWSA-N 1 1 310.354 -1.427 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cc(=O)n2[nH]cnc2n1 ZINC000962288770 664372511 /nfs/dbraw/zinc/37/25/11/664372511.db2.gz NRQLASVZTHBLMF-VROVMSAKSA-N 1 1 304.310 -1.930 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962299565 664372845 /nfs/dbraw/zinc/37/28/45/664372845.db2.gz RMXIBMWOMWFJMN-JDICNCQASA-N 1 1 306.322 -1.059 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962299565 664372851 /nfs/dbraw/zinc/37/28/51/664372851.db2.gz RMXIBMWOMWFJMN-JDICNCQASA-N 1 1 306.322 -1.059 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O ZINC000962320853 664373273 /nfs/dbraw/zinc/37/32/73/664373273.db2.gz XILBKCWLKVYFDA-PJXYFTJBSA-N 1 1 304.350 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O ZINC000962320853 664373276 /nfs/dbraw/zinc/37/32/76/664373276.db2.gz XILBKCWLKVYFDA-PJXYFTJBSA-N 1 1 304.350 -1.209 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC000962342141 664373529 /nfs/dbraw/zinc/37/35/29/664373529.db2.gz YVAAHDPSIBAGGZ-OZTPJHRESA-N 1 1 320.393 -1.068 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)n1 ZINC000962351074 664373976 /nfs/dbraw/zinc/37/39/76/664373976.db2.gz FAGXEQUSKFCMEY-FJJYHAOUSA-N 1 1 306.366 -1.021 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(C)=O)C1 ZINC000962398023 664374410 /nfs/dbraw/zinc/37/44/10/664374410.db2.gz RANYWLWZUIPIEB-CIQGVGRVSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C(C)=O)C1 ZINC000962398023 664374412 /nfs/dbraw/zinc/37/44/12/664374412.db2.gz RANYWLWZUIPIEB-CIQGVGRVSA-N 1 1 308.382 -1.353 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC000962367984 664374421 /nfs/dbraw/zinc/37/44/21/664374421.db2.gz ZPXGLCWSCPIANF-NDBYEHHHSA-N 1 1 311.382 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1OC ZINC000962411426 664374938 /nfs/dbraw/zinc/37/49/38/664374938.db2.gz XNBFQINRAGOLEJ-IAZYJMLFSA-N 1 1 307.354 -1.165 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1OC ZINC000962411426 664374940 /nfs/dbraw/zinc/37/49/40/664374940.db2.gz XNBFQINRAGOLEJ-IAZYJMLFSA-N 1 1 307.354 -1.165 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC000962420816 664375294 /nfs/dbraw/zinc/37/52/94/664375294.db2.gz QYITWFZPNMMGPI-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)n1C ZINC000962433321 664375747 /nfs/dbraw/zinc/37/57/47/664375747.db2.gz VXUPOIVCMDCODJ-GDGBQDQQSA-N 1 1 308.342 -2.578 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)n1C ZINC000962433321 664375750 /nfs/dbraw/zinc/37/57/50/664375750.db2.gz VXUPOIVCMDCODJ-GDGBQDQQSA-N 1 1 308.342 -2.578 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)c(=O)n1C ZINC000962433818 664375947 /nfs/dbraw/zinc/37/59/47/664375947.db2.gz ZPLLOTYAXOIWIA-GOONRYMUSA-N 1 1 309.370 -1.683 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962436445 664376114 /nfs/dbraw/zinc/37/61/14/664376114.db2.gz JPMTYROKGUIWCP-RFQIPJPRSA-N 1 1 311.382 -1.338 20 0 DAADMO O=C(NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC000962434365 664376187 /nfs/dbraw/zinc/37/61/87/664376187.db2.gz IBFXEGWDNLQDAH-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC000962434365 664376190 /nfs/dbraw/zinc/37/61/90/664376190.db2.gz IBFXEGWDNLQDAH-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962431101 664376197 /nfs/dbraw/zinc/37/61/97/664376197.db2.gz NHAMCCYVGYYUDR-PQFRYHKHSA-N 1 1 323.397 -1.028 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC000962448531 664376542 /nfs/dbraw/zinc/37/65/42/664376542.db2.gz DPWYMWUFENSNNJ-IAZYJMLFSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962478919 664376892 /nfs/dbraw/zinc/37/68/92/664376892.db2.gz YKCOLJAANXPKGO-WUWHUORYSA-N 1 1 318.381 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470129 664376906 /nfs/dbraw/zinc/37/69/06/664376906.db2.gz SCIAUZDKCKWLDG-QISWUMQESA-N 1 1 319.365 -1.425 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1)C1CC1 ZINC000962471692 664377087 /nfs/dbraw/zinc/37/70/87/664377087.db2.gz XYQXZKWDPAQOED-JYAVWHMHSA-N 1 1 318.381 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470122 664377156 /nfs/dbraw/zinc/37/71/56/664377156.db2.gz SCIAUZDKCKWLDG-DNJQJEMRSA-N 1 1 319.365 -1.425 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962485300 664377633 /nfs/dbraw/zinc/37/76/33/664377633.db2.gz RITLSLUIRQCYPX-QISWUMQESA-N 1 1 310.354 -1.692 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962486235 664377692 /nfs/dbraw/zinc/37/76/92/664377692.db2.gz VCZVQKIEXVPMKP-JDICNCQASA-N 1 1 309.326 -2.669 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962486235 664377694 /nfs/dbraw/zinc/37/76/94/664377694.db2.gz VCZVQKIEXVPMKP-JDICNCQASA-N 1 1 309.326 -2.669 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962514028 664377984 /nfs/dbraw/zinc/37/79/84/664377984.db2.gz VMOKOXNQXWBXJV-MYJAWHEDSA-N 1 1 305.338 -1.382 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962494454 664378005 /nfs/dbraw/zinc/37/80/05/664378005.db2.gz GGIZHIIHGPUCSU-PJXYFTJBSA-N 1 1 323.397 -1.431 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962494454 664378009 /nfs/dbraw/zinc/37/80/09/664378009.db2.gz GGIZHIIHGPUCSU-PJXYFTJBSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962517546 664378716 /nfs/dbraw/zinc/37/87/16/664378716.db2.gz HIAXPEMTXGSQKS-KZWBYHQPSA-N 1 1 304.350 -1.232 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962517546 664378718 /nfs/dbraw/zinc/37/87/18/664378718.db2.gz HIAXPEMTXGSQKS-KZWBYHQPSA-N 1 1 304.350 -1.232 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc2ncccn2n1 ZINC000962553174 664379063 /nfs/dbraw/zinc/37/90/63/664379063.db2.gz LNKGKKFHIVRPHA-WOFXILAISA-N 1 1 315.337 -1.802 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc2ncccn2n1 ZINC000962553174 664379067 /nfs/dbraw/zinc/37/90/67/664379067.db2.gz LNKGKKFHIVRPHA-WOFXILAISA-N 1 1 315.337 -1.802 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560192 664379110 /nfs/dbraw/zinc/37/91/10/664379110.db2.gz ZJOKSVUIODPOHX-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560192 664379115 /nfs/dbraw/zinc/37/91/15/664379115.db2.gz ZJOKSVUIODPOHX-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000962561654 664379205 /nfs/dbraw/zinc/37/92/05/664379205.db2.gz BYUZJOBMRQGANW-IZWKTGJZSA-N 1 1 317.349 -1.115 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC000962587123 664379492 /nfs/dbraw/zinc/37/94/92/664379492.db2.gz JNHFHGJNPJZNSG-YABSGUDNSA-N 1 1 316.369 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962609439 664380145 /nfs/dbraw/zinc/38/01/45/664380145.db2.gz UPXSCCVJCZFVKO-LOKLDPHHSA-N 1 1 316.383 -2.530 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962609439 664380146 /nfs/dbraw/zinc/38/01/46/664380146.db2.gz UPXSCCVJCZFVKO-LOKLDPHHSA-N 1 1 316.383 -2.530 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC000962602238 664380234 /nfs/dbraw/zinc/38/02/34/664380234.db2.gz CWZYOFCMTRNPSU-YTWAJWBKSA-N 1 1 303.384 -1.893 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC000962620211 664380717 /nfs/dbraw/zinc/38/07/17/664380717.db2.gz VSPBMIQLHYTOJQ-RQJABVFESA-N 1 1 311.382 -1.074 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC000962728082 664383433 /nfs/dbraw/zinc/38/34/33/664383433.db2.gz VMUGFKDEBWIUOJ-PUHVVEEASA-N 1 1 318.381 -1.367 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC000962728082 664383435 /nfs/dbraw/zinc/38/34/35/664383435.db2.gz VMUGFKDEBWIUOJ-PUHVVEEASA-N 1 1 318.381 -1.367 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962768984 664383939 /nfs/dbraw/zinc/38/39/39/664383939.db2.gz YFYOPRQUYQTXNB-DNJQJEMRSA-N 1 1 322.369 -1.542 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962763282 664383965 /nfs/dbraw/zinc/38/39/65/664383965.db2.gz NAZFQWAJUQOFIE-JDICNCQASA-N 1 1 321.341 -2.831 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962763282 664383968 /nfs/dbraw/zinc/38/39/68/664383968.db2.gz NAZFQWAJUQOFIE-JDICNCQASA-N 1 1 321.341 -2.831 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)nn1 ZINC000962777654 664384052 /nfs/dbraw/zinc/38/40/52/664384052.db2.gz POGHJOIGJGWWPC-IWIIMEHWSA-N 1 1 304.354 -1.167 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962761004 664384057 /nfs/dbraw/zinc/38/40/57/664384057.db2.gz HYEAZCSSRSTWAT-LITAXDCLSA-N 1 1 321.341 -2.703 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962761004 664384060 /nfs/dbraw/zinc/38/40/60/664384060.db2.gz HYEAZCSSRSTWAT-LITAXDCLSA-N 1 1 321.341 -2.703 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC000962808233 664384393 /nfs/dbraw/zinc/38/43/93/664384393.db2.gz SBBFAJBAPZBXPR-MXWKQRLJSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962816116 664384912 /nfs/dbraw/zinc/38/49/12/664384912.db2.gz UPVSNDDZQIAURS-AXFHLTTASA-N 1 1 307.354 -1.337 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962856246 664386146 /nfs/dbraw/zinc/38/61/46/664386146.db2.gz HKVRPLXGGYKOJJ-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962858508 664386259 /nfs/dbraw/zinc/38/62/59/664386259.db2.gz ZSFXCFUJRYMXND-UXCLJVHYSA-N 1 1 321.381 -1.482 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000963100235 664388427 /nfs/dbraw/zinc/38/84/27/664388427.db2.gz QDJBOXTYQPSGGJ-NMSKTSORSA-N 1 1 308.338 -2.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000963100235 664388429 /nfs/dbraw/zinc/38/84/29/664388429.db2.gz QDJBOXTYQPSGGJ-NMSKTSORSA-N 1 1 308.338 -2.168 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000963101019 664388495 /nfs/dbraw/zinc/38/84/95/664388495.db2.gz RPBBRBZYBIHHTN-RBQUTUCGSA-N 1 1 322.365 -1.826 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000963265341 664388864 /nfs/dbraw/zinc/38/88/64/664388864.db2.gz RDPKLLBXEMGJFP-VXGBXAGGSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000963265338 664388985 /nfs/dbraw/zinc/38/89/85/664388985.db2.gz RDPKLLBXEMGJFP-NEPJUHHUSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000963305028 664389438 /nfs/dbraw/zinc/38/94/38/664389438.db2.gz YLAASRSYCVDHFY-NEPJUHHUSA-N 1 1 321.385 -1.139 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]n1 ZINC000963376004 664389444 /nfs/dbraw/zinc/38/94/44/664389444.db2.gz SZPWUNWTVCQBNS-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC000963376004 664389446 /nfs/dbraw/zinc/38/94/46/664389446.db2.gz SZPWUNWTVCQBNS-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC000963376004 664389448 /nfs/dbraw/zinc/38/94/48/664389448.db2.gz SZPWUNWTVCQBNS-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cn1 ZINC000963374561 664389505 /nfs/dbraw/zinc/38/95/05/664389505.db2.gz CFFWGXGDNNFROY-UHTWSYAYSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000963417381 664389799 /nfs/dbraw/zinc/38/97/99/664389799.db2.gz AQVIWTUBCDFCTM-MXWKQRLJSA-N 1 1 307.354 -1.337 20 0 DAADMO Cc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963396465 664389997 /nfs/dbraw/zinc/38/99/97/664389997.db2.gz TWYDJSQHMSALOI-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC000963418135 664390040 /nfs/dbraw/zinc/39/00/40/664390040.db2.gz FBJGULDMPWQDQR-FOGDFJRCSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@@H]2O)C1 ZINC000963398480 664390076 /nfs/dbraw/zinc/39/00/76/664390076.db2.gz YALFYXQVKHLKKV-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2O)C1 ZINC000963382550 664390104 /nfs/dbraw/zinc/39/01/04/664390104.db2.gz JGZNKUHTJWEVRW-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2O)C1 ZINC000963382550 664390106 /nfs/dbraw/zinc/39/01/06/664390106.db2.gz JGZNKUHTJWEVRW-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2O)C1 ZINC000963417972 664390182 /nfs/dbraw/zinc/39/01/82/664390182.db2.gz DATIGQOPFSFBEA-MXWKQRLJSA-N 1 1 324.381 -2.109 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963383457 664390190 /nfs/dbraw/zinc/39/01/90/664390190.db2.gz RRYFJNYDRXCCPE-RTXFEEFZSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3=CCOCC3)C[C@@H]2O)C1 ZINC000963394953 664390317 /nfs/dbraw/zinc/39/03/17/664390317.db2.gz OPFMEFVDDRRGON-MCIONIFRSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000963417380 664390360 /nfs/dbraw/zinc/39/03/60/664390360.db2.gz AQVIWTUBCDFCTM-AXFHLTTASA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2O)C1 ZINC000963418939 664390373 /nfs/dbraw/zinc/39/03/73/664390373.db2.gz GPWLCMLPOULVOK-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2O)C1 ZINC000963420311 664390499 /nfs/dbraw/zinc/39/04/99/664390499.db2.gz KYMKWLAOISNTTN-UTUOFQBUSA-N 1 1 321.381 -1.408 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000963435012 664390646 /nfs/dbraw/zinc/39/06/46/664390646.db2.gz XXKBFUVCGCUOGD-RTXFEEFZSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]2O)C1 ZINC000963420985 664390673 /nfs/dbraw/zinc/39/06/73/664390673.db2.gz QDDUIGJIURWMTC-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963422627 664390973 /nfs/dbraw/zinc/39/09/73/664390973.db2.gz YXUCWNLTPCESSP-UMNHJUIQSA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000963435017 664391019 /nfs/dbraw/zinc/39/10/19/664391019.db2.gz XXKBFUVCGCUOGD-UHTWSYAYSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963512811 664392081 /nfs/dbraw/zinc/39/20/81/664392081.db2.gz AAHQGGAZQNNAST-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963512811 664392082 /nfs/dbraw/zinc/39/20/82/664392082.db2.gz AAHQGGAZQNNAST-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC000963556976 664393391 /nfs/dbraw/zinc/39/33/91/664393391.db2.gz NPKWBBRVXZRNDV-MNOVXSKESA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O ZINC000963554919 664393539 /nfs/dbraw/zinc/39/35/39/664393539.db2.gz DVFGQMDGYHSLOX-XQQFMLRXSA-N 1 1 322.365 -1.084 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000963556300 664393580 /nfs/dbraw/zinc/39/35/80/664393580.db2.gz MMRGEDYGWUHVAA-WCQGTBRESA-N 1 1 310.354 -1.086 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963825518 664395316 /nfs/dbraw/zinc/39/53/16/664395316.db2.gz HGKPJUKKHDPVDD-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963828864 664395506 /nfs/dbraw/zinc/39/55/06/664395506.db2.gz PNOYZZUUDSSNAZ-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963828864 664395509 /nfs/dbraw/zinc/39/55/09/664395509.db2.gz PNOYZZUUDSSNAZ-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963872818 664396984 /nfs/dbraw/zinc/39/69/84/664396984.db2.gz DNLBYMWRLQXTCS-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC000964116096 664401010 /nfs/dbraw/zinc/40/10/10/664401010.db2.gz AJNHJTNAHLTDIJ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)C1 ZINC000964202227 664403755 /nfs/dbraw/zinc/40/37/55/664403755.db2.gz QTBBLESVOHQSKI-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cn[nH]n2)C1 ZINC000964258811 664406045 /nfs/dbraw/zinc/40/60/45/664406045.db2.gz UFVDBLRKGBJWFJ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258811 664406048 /nfs/dbraw/zinc/40/60/48/664406048.db2.gz UFVDBLRKGBJWFJ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258811 664406050 /nfs/dbraw/zinc/40/60/50/664406050.db2.gz UFVDBLRKGBJWFJ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000964318097 664409518 /nfs/dbraw/zinc/40/95/18/664409518.db2.gz FBKYGZJBCRVKBP-QWRGUYRKSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000964575010 664411787 /nfs/dbraw/zinc/41/17/87/664411787.db2.gz QQDYTVVLUSJLSG-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000964575010 664411791 /nfs/dbraw/zinc/41/17/91/664411791.db2.gz QQDYTVVLUSJLSG-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799274 664413085 /nfs/dbraw/zinc/41/30/85/664413085.db2.gz ZDTFITMSKCHOCT-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799274 664413088 /nfs/dbraw/zinc/41/30/88/664413088.db2.gz ZDTFITMSKCHOCT-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799280 664413122 /nfs/dbraw/zinc/41/31/22/664413122.db2.gz ZDTFITMSKCHOCT-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799280 664413125 /nfs/dbraw/zinc/41/31/25/664413125.db2.gz ZDTFITMSKCHOCT-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964966662 664413693 /nfs/dbraw/zinc/41/36/93/664413693.db2.gz QDMXJAFVZGMJGN-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964966662 664413695 /nfs/dbraw/zinc/41/36/95/664413695.db2.gz QDMXJAFVZGMJGN-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964960498 664413742 /nfs/dbraw/zinc/41/37/42/664413742.db2.gz HMVFEDKDRAQANQ-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964960498 664413744 /nfs/dbraw/zinc/41/37/44/664413744.db2.gz HMVFEDKDRAQANQ-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)C1 ZINC000964973049 664414199 /nfs/dbraw/zinc/41/41/99/664414199.db2.gz PXDCPDARAGMXJZ-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@@H]2O)C1 ZINC000964973049 664414201 /nfs/dbraw/zinc/41/42/01/664414201.db2.gz PXDCPDARAGMXJZ-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042865 664415396 /nfs/dbraw/zinc/41/53/96/664415396.db2.gz VUVCHWPMBPQFGK-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042865 664415400 /nfs/dbraw/zinc/41/54/00/664415400.db2.gz VUVCHWPMBPQFGK-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965091026 664415797 /nfs/dbraw/zinc/41/57/97/664415797.db2.gz ROWNGOBCUOYKNX-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965091027 664416082 /nfs/dbraw/zinc/41/60/82/664416082.db2.gz ROWNGOBCUOYKNX-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965386785 664421033 /nfs/dbraw/zinc/42/10/33/664421033.db2.gz KSHCUWCVVACFJJ-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965464224 664423317 /nfs/dbraw/zinc/42/33/17/664423317.db2.gz IHRCKEFAKVLSMU-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)CC[N@H+]1C ZINC000965464379 664423433 /nfs/dbraw/zinc/42/34/33/664423433.db2.gz KKEJCWKUEPSPSG-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965471804 664424012 /nfs/dbraw/zinc/42/40/12/664424012.db2.gz PISIIAVDJRKWGY-UHFFFAOYSA-N 1 1 321.337 -1.883 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965474598 664424020 /nfs/dbraw/zinc/42/40/20/664424020.db2.gz UIAMCJUYGHSYNJ-GHMZBOCLSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965491792 664424783 /nfs/dbraw/zinc/42/47/83/664424783.db2.gz YCUOCDQGKSRJBV-MNOVXSKESA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC000965519332 664425226 /nfs/dbraw/zinc/42/52/26/664425226.db2.gz DONKNLAXFJPWRS-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965698897 664429023 /nfs/dbraw/zinc/42/90/23/664429023.db2.gz BACLEHABWYPYDN-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965704694 664429145 /nfs/dbraw/zinc/42/91/45/664429145.db2.gz AWNXYHJCANYGTG-SNVBAGLBSA-N 1 1 321.337 -1.837 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965704692 664429304 /nfs/dbraw/zinc/42/93/04/664429304.db2.gz AWNXYHJCANYGTG-JTQLQIEISA-N 1 1 321.337 -1.837 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965747477 664430066 /nfs/dbraw/zinc/43/00/66/664430066.db2.gz OCQARJFHTJECAM-JTQLQIEISA-N 1 1 321.337 -1.837 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965753297 664430687 /nfs/dbraw/zinc/43/06/87/664430687.db2.gz IFYUCTWGJPFMES-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965795080 664433180 /nfs/dbraw/zinc/43/31/80/664433180.db2.gz KQDXYYCDVVXKKR-UWVGGRQHSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965799309 664433691 /nfs/dbraw/zinc/43/36/91/664433691.db2.gz WALWUFVQOCJWGZ-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965803674 664434477 /nfs/dbraw/zinc/43/44/77/664434477.db2.gz GZHVIDXTEQUNIG-UWVGGRQHSA-N 1 1 310.354 -2.091 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965819787 664435715 /nfs/dbraw/zinc/43/57/15/664435715.db2.gz USPGDYUSYVQVAW-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC000965921644 664436377 /nfs/dbraw/zinc/43/63/77/664436377.db2.gz MEYGYEHCTSSUID-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC000965921644 664436379 /nfs/dbraw/zinc/43/63/79/664436379.db2.gz MEYGYEHCTSSUID-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 ZINC000965921645 664436808 /nfs/dbraw/zinc/43/68/08/664436808.db2.gz MEYGYEHCTSSUID-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 ZINC000965921645 664436810 /nfs/dbraw/zinc/43/68/10/664436810.db2.gz MEYGYEHCTSSUID-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000965986887 664437274 /nfs/dbraw/zinc/43/72/74/664437274.db2.gz KKXDBKWTZRJGSC-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000965977971 664437392 /nfs/dbraw/zinc/43/73/92/664437392.db2.gz LTOOAWZRMWIPGP-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000965986886 664437514 /nfs/dbraw/zinc/43/75/14/664437514.db2.gz KKXDBKWTZRJGSC-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966132603 664438631 /nfs/dbraw/zinc/43/86/31/664438631.db2.gz MPUVSIFPMBETIQ-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966132603 664438633 /nfs/dbraw/zinc/43/86/33/664438633.db2.gz MPUVSIFPMBETIQ-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966133047 664439396 /nfs/dbraw/zinc/43/93/96/664439396.db2.gz MUHBHIHBMACYBR-NEPJUHHUSA-N 1 1 319.373 -1.209 20 0 DAADMO COCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000966166036 664440461 /nfs/dbraw/zinc/44/04/61/664440461.db2.gz JCNYXTNGMLXEBA-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO COCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000966166033 664440541 /nfs/dbraw/zinc/44/05/41/664440541.db2.gz JCNYXTNGMLXEBA-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966164722 664440589 /nfs/dbraw/zinc/44/05/89/664440589.db2.gz DCXOJISPFBRXRC-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1NC(=O)C(N)=O ZINC000966551314 664446120 /nfs/dbraw/zinc/44/61/20/664446120.db2.gz HNTIPWVHAUTCBK-KCJUWKMLSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)C(N)=O ZINC000966551310 664446209 /nfs/dbraw/zinc/44/62/09/664446209.db2.gz HNTIPWVHAUTCBK-GZMMTYOYSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C(N)=O ZINC000966628667 664447594 /nfs/dbraw/zinc/44/75/94/664447594.db2.gz XPJSCMRHNGSQJG-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000966759551 664450769 /nfs/dbraw/zinc/45/07/69/664450769.db2.gz HJZBIYHHGHZJJS-KCJUWKMLSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000966759553 664450944 /nfs/dbraw/zinc/45/09/44/664450944.db2.gz HJZBIYHHGHZJJS-KWQFWETISA-N 1 1 323.353 -1.202 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966888666 664453397 /nfs/dbraw/zinc/45/33/97/664453397.db2.gz CYLNJTHXVIACFY-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000966888980 664453459 /nfs/dbraw/zinc/45/34/59/664453459.db2.gz IPVKCKDZFHMCQY-RKDXNWHRSA-N 1 1 306.334 -1.852 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC000966892410 664453533 /nfs/dbraw/zinc/45/35/33/664453533.db2.gz LQQZOKZIYUKMNN-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1)c1nncn1C ZINC000966888709 664453690 /nfs/dbraw/zinc/45/36/90/664453690.db2.gz FDOWQMXBCLBUPZ-NXEZZACHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000967155577 664456096 /nfs/dbraw/zinc/45/60/96/664456096.db2.gz JICRPZGMUHQJFI-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000967268535 664460686 /nfs/dbraw/zinc/46/06/86/664460686.db2.gz IVZIFIBUENFUML-GHMZBOCLSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967717413 664464916 /nfs/dbraw/zinc/46/49/16/664464916.db2.gz AUNSSEIEWUCLTK-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967717415 664465340 /nfs/dbraw/zinc/46/53/40/664465340.db2.gz AUNSSEIEWUCLTK-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000967983440 664468362 /nfs/dbraw/zinc/46/83/62/664468362.db2.gz QWOKMLUZAPCVHH-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000967975970 664468565 /nfs/dbraw/zinc/46/85/65/664468565.db2.gz CUTVWZQRWQJKOW-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000968031368 664469222 /nfs/dbraw/zinc/46/92/22/664469222.db2.gz MZXVAUHORGXVIW-PWSUYJOCSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078926 664469584 /nfs/dbraw/zinc/46/95/84/664469584.db2.gz MGUKXZFNWXHHDI-GXSJLCMTSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078926 664469585 /nfs/dbraw/zinc/46/95/85/664469585.db2.gz MGUKXZFNWXHHDI-GXSJLCMTSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078932 664469603 /nfs/dbraw/zinc/46/96/03/664469603.db2.gz MGUKXZFNWXHHDI-KOLCDFICSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078932 664469605 /nfs/dbraw/zinc/46/96/05/664469605.db2.gz MGUKXZFNWXHHDI-KOLCDFICSA-N 1 1 307.354 -1.044 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC000968094299 664469908 /nfs/dbraw/zinc/46/99/08/664469908.db2.gz BFIODBIXKDIAGG-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC000968094299 664469910 /nfs/dbraw/zinc/46/99/10/664469910.db2.gz BFIODBIXKDIAGG-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968150554 664470783 /nfs/dbraw/zinc/47/07/83/664470783.db2.gz GQHHVYIFVJWVIQ-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968150554 664470788 /nfs/dbraw/zinc/47/07/88/664470788.db2.gz GQHHVYIFVJWVIQ-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968150551 664470976 /nfs/dbraw/zinc/47/09/76/664470976.db2.gz GQHHVYIFVJWVIQ-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968150551 664470979 /nfs/dbraw/zinc/47/09/79/664470979.db2.gz GQHHVYIFVJWVIQ-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000968250085 664472994 /nfs/dbraw/zinc/47/29/94/664472994.db2.gz AXYSVMKIJVSNLS-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968245004 664473382 /nfs/dbraw/zinc/47/33/82/664473382.db2.gz MKZWZBMAMJIAGU-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968245004 664473386 /nfs/dbraw/zinc/47/33/86/664473386.db2.gz MKZWZBMAMJIAGU-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C1=COCCO1 ZINC001038027241 664474283 /nfs/dbraw/zinc/47/42/83/664474283.db2.gz KTENIWLTZPXDSB-SNVBAGLBSA-N 1 1 324.337 -1.383 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C1=COCCO1 ZINC001038027241 664474285 /nfs/dbraw/zinc/47/42/85/664474285.db2.gz KTENIWLTZPXDSB-SNVBAGLBSA-N 1 1 324.337 -1.383 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000968304617 664474638 /nfs/dbraw/zinc/47/46/38/664474638.db2.gz YIUDLVQUSHUBDA-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000968304616 664474962 /nfs/dbraw/zinc/47/49/62/664474962.db2.gz YIUDLVQUSHUBDA-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC000968305041 664475025 /nfs/dbraw/zinc/47/50/25/664475025.db2.gz ZWGSPZZTCNDUKZ-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416750 664476234 /nfs/dbraw/zinc/47/62/34/664476234.db2.gz ARLWQXPJOYPNIT-ONGXEEELSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416750 664476242 /nfs/dbraw/zinc/47/62/42/664476242.db2.gz ARLWQXPJOYPNIT-ONGXEEELSA-N 1 1 324.381 -1.388 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000968419315 664476523 /nfs/dbraw/zinc/47/65/23/664476523.db2.gz JJZLXHNTFYBTOY-NXEZZACHSA-N 1 1 308.342 -1.146 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000968392328 664476844 /nfs/dbraw/zinc/47/68/44/664476844.db2.gz WCDDCQIMDWCHQC-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431649 664476894 /nfs/dbraw/zinc/47/68/94/664476894.db2.gz NRQILDCHBSKHOY-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000968482227 664478944 /nfs/dbraw/zinc/47/89/44/664478944.db2.gz QVKAHJYJYZUPFS-MXWKQRLJSA-N 1 1 323.353 -1.226 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC000968473098 664478972 /nfs/dbraw/zinc/47/89/72/664478972.db2.gz PPYZEKDCZHJJFY-MRVPVSSYSA-N 1 1 305.346 -1.470 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC000968467263 664479310 /nfs/dbraw/zinc/47/93/10/664479310.db2.gz YQSQJTGIOCJDDS-SNVBAGLBSA-N 1 1 320.357 -1.014 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)C2)C1 ZINC000968513806 664479676 /nfs/dbraw/zinc/47/96/76/664479676.db2.gz BMGILKKFDSJHHI-GFCCVEGCSA-N 1 1 306.370 -1.016 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000968518193 664479685 /nfs/dbraw/zinc/47/96/85/664479685.db2.gz ZEZVBNZLABOXMU-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC000968508188 664479816 /nfs/dbraw/zinc/47/98/16/664479816.db2.gz OOOVVMLSVGFQGJ-GFCCVEGCSA-N 1 1 306.370 -1.016 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC000968514303 664479856 /nfs/dbraw/zinc/47/98/56/664479856.db2.gz MZDUUSORRLXRLG-JOYOIKCWSA-N 1 1 321.385 -1.060 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000968551688 664480186 /nfs/dbraw/zinc/48/01/86/664480186.db2.gz COWIRPLBCNTFJE-MDZLAQPJSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968559896 664480219 /nfs/dbraw/zinc/48/02/19/664480219.db2.gz CQHRQMLJWQFIGT-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000968553164 664480270 /nfs/dbraw/zinc/48/02/70/664480270.db2.gz QBOQJHMMTMAZBT-NXEZZACHSA-N 1 1 323.357 -1.118 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000968539793 664480331 /nfs/dbraw/zinc/48/03/31/664480331.db2.gz QITMYFPPZXKZEK-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000968553165 664480468 /nfs/dbraw/zinc/48/04/68/664480468.db2.gz QBOQJHMMTMAZBT-ZJUUUORDSA-N 1 1 323.357 -1.118 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC000968575572 664480717 /nfs/dbraw/zinc/48/07/17/664480717.db2.gz BTPVFRJPGOYRKM-DTWKUNHWSA-N 1 1 305.346 -1.096 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC000968583645 664481038 /nfs/dbraw/zinc/48/10/38/664481038.db2.gz PRDFXWAJFFNKDQ-DTWKUNHWSA-N 1 1 305.346 -1.096 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627884 664481510 /nfs/dbraw/zinc/48/15/10/664481510.db2.gz PFRRPUOQGSXBCB-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000968623098 664481619 /nfs/dbraw/zinc/48/16/19/664481619.db2.gz KUWXRBYEPLVRHO-WOPDTQHZSA-N 1 1 323.353 -1.145 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1C ZINC000968673487 664481903 /nfs/dbraw/zinc/48/19/03/664481903.db2.gz XSBGBOYJILZLEV-SNVBAGLBSA-N 1 1 319.373 -1.245 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968673483 664482062 /nfs/dbraw/zinc/48/20/62/664482062.db2.gz XNHMJTSCVBSSPM-LLVKDONJSA-N 1 1 319.373 -1.016 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968683570 664482470 /nfs/dbraw/zinc/48/24/70/664482470.db2.gz RCLSDNWTUNJEIX-SNVBAGLBSA-N 1 1 320.361 -1.540 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000968683258 664482757 /nfs/dbraw/zinc/48/27/57/664482757.db2.gz CBOBCZLWHWHOQC-RKDXNWHRSA-N 1 1 306.334 -1.852 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000968698498 664484150 /nfs/dbraw/zinc/48/41/50/664484150.db2.gz WSWXGOUFWMHSGP-WCQGTBRESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968698498 664484152 /nfs/dbraw/zinc/48/41/52/664484152.db2.gz WSWXGOUFWMHSGP-WCQGTBRESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968698498 664484154 /nfs/dbraw/zinc/48/41/54/664484154.db2.gz WSWXGOUFWMHSGP-WCQGTBRESA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968707509 664485310 /nfs/dbraw/zinc/48/53/10/664485310.db2.gz SOPZVEFUTRRXLS-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968707509 664485314 /nfs/dbraw/zinc/48/53/14/664485314.db2.gz SOPZVEFUTRRXLS-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968707509 664485318 /nfs/dbraw/zinc/48/53/18/664485318.db2.gz SOPZVEFUTRRXLS-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000968714809 664485575 /nfs/dbraw/zinc/48/55/75/664485575.db2.gz TUTSRARVAMFXBR-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000968785610 664486433 /nfs/dbraw/zinc/48/64/33/664486433.db2.gz KDPGZSJAPQOCOC-SNVBAGLBSA-N 1 1 313.383 -1.450 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC000968845854 664486937 /nfs/dbraw/zinc/48/69/37/664486937.db2.gz VBXJOLWUJLFWKY-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000968845658 664487027 /nfs/dbraw/zinc/48/70/27/664487027.db2.gz QZUMNRLBKQQORW-VHSXEESVSA-N 1 1 307.358 -1.621 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000968842118 664487075 /nfs/dbraw/zinc/48/70/75/664487075.db2.gz FVXHCCXCLAIOMR-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000968845657 664487088 /nfs/dbraw/zinc/48/70/88/664487088.db2.gz QZUMNRLBKQQORW-NXEZZACHSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968929249 664487823 /nfs/dbraw/zinc/48/78/23/664487823.db2.gz BYZQZGYAYCRUQU-LLVKDONJSA-N 1 1 322.369 -1.636 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952748 664488458 /nfs/dbraw/zinc/48/84/58/664488458.db2.gz RGJMVWYFXXKNGJ-BDAKNGLRSA-N 1 1 322.325 -1.333 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000968930218 664488476 /nfs/dbraw/zinc/48/84/76/664488476.db2.gz RDKYXMRDUDEMAU-SNVBAGLBSA-N 1 1 309.326 -1.381 20 0 DAADMO CC[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CCNC1=O ZINC000968970589 664488839 /nfs/dbraw/zinc/48/88/39/664488839.db2.gz MMNWYDGPIVJMJC-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000968964617 664488878 /nfs/dbraw/zinc/48/88/78/664488878.db2.gz MOZPVSODYAWZTH-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000969013076 664489332 /nfs/dbraw/zinc/48/93/32/664489332.db2.gz FGQLYQKLQLBSEI-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969026385 664489552 /nfs/dbraw/zinc/48/95/52/664489552.db2.gz BVSKGUSCHONDCC-NXEZZACHSA-N 1 1 307.358 -1.431 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC000969104879 664490218 /nfs/dbraw/zinc/49/02/18/664490218.db2.gz OZFIJKBOWDKHQB-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC000969102597 664490384 /nfs/dbraw/zinc/49/03/84/664490384.db2.gz IRBWGGLDSSOSII-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001006633407 664491134 /nfs/dbraw/zinc/49/11/34/664491134.db2.gz UVTCSXIHIKZJHN-ZJUUUORDSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001006633402 664491195 /nfs/dbraw/zinc/49/11/95/664491195.db2.gz UVTCSXIHIKZJHN-UWVGGRQHSA-N 1 1 321.385 -1.262 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001006687564 664491568 /nfs/dbraw/zinc/49/15/68/664491568.db2.gz ZSMJBJJEOBPAAC-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001006687564 664491578 /nfs/dbraw/zinc/49/15/78/664491578.db2.gz ZSMJBJJEOBPAAC-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684050 664491787 /nfs/dbraw/zinc/49/17/87/664491787.db2.gz KSMNAUCFHVCXOG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684050 664491789 /nfs/dbraw/zinc/49/17/89/664491789.db2.gz KSMNAUCFHVCXOG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001006682596 664491844 /nfs/dbraw/zinc/49/18/44/664491844.db2.gz HKWWCCZLWBAGLR-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001006682596 664491847 /nfs/dbraw/zinc/49/18/47/664491847.db2.gz HKWWCCZLWBAGLR-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038610452 664493885 /nfs/dbraw/zinc/49/38/85/664493885.db2.gz KLJLJVLANKBSRH-QWRGUYRKSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038610452 664493886 /nfs/dbraw/zinc/49/38/86/664493886.db2.gz KLJLJVLANKBSRH-QWRGUYRKSA-N 1 1 320.357 -1.728 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001007339422 664494323 /nfs/dbraw/zinc/49/43/23/664494323.db2.gz PSMVIKREXCYKDU-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001007339422 664494327 /nfs/dbraw/zinc/49/43/27/664494327.db2.gz PSMVIKREXCYKDU-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007339889 664494609 /nfs/dbraw/zinc/49/46/09/664494609.db2.gz SZBFWPAUQOXITJ-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007339889 664494613 /nfs/dbraw/zinc/49/46/13/664494613.db2.gz SZBFWPAUQOXITJ-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007373270 664494964 /nfs/dbraw/zinc/49/49/64/664494964.db2.gz PZRLGVOJOQLUEY-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007458567 664495235 /nfs/dbraw/zinc/49/52/35/664495235.db2.gz ZEQFKOPMENEPLG-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001007522956 664495680 /nfs/dbraw/zinc/49/56/80/664495680.db2.gz WARFXQAXDUZVTQ-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001007522956 664495683 /nfs/dbraw/zinc/49/56/83/664495683.db2.gz WARFXQAXDUZVTQ-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001007621988 664496077 /nfs/dbraw/zinc/49/60/77/664496077.db2.gz XIWLNAQEQVZIHZ-XHDPSFHLSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007697062 664496669 /nfs/dbraw/zinc/49/66/69/664496669.db2.gz VXDSMGCHXJVTQA-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007834417 664498366 /nfs/dbraw/zinc/49/83/66/664498366.db2.gz VFEFYEIAZBNPNQ-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995478 664498491 /nfs/dbraw/zinc/49/84/91/664498491.db2.gz JJMMGZMSJCGVKW-ZJUUUORDSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995478 664498494 /nfs/dbraw/zinc/49/84/94/664498494.db2.gz JJMMGZMSJCGVKW-ZJUUUORDSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001008118690 664499236 /nfs/dbraw/zinc/49/92/36/664499236.db2.gz AYHXDINAXTXSRO-JTQLQIEISA-N 1 1 320.357 -1.120 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001008178571 664499403 /nfs/dbraw/zinc/49/94/03/664499403.db2.gz RIDQINQAJJSXNW-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001008186428 664499502 /nfs/dbraw/zinc/49/95/02/664499502.db2.gz ZEACCKFIEOGIIV-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001008186428 664499506 /nfs/dbraw/zinc/49/95/06/664499506.db2.gz ZEACCKFIEOGIIV-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186417 664499524 /nfs/dbraw/zinc/49/95/24/664499524.db2.gz YYJNTTVNXHQGGY-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186417 664499527 /nfs/dbraw/zinc/49/95/27/664499527.db2.gz YYJNTTVNXHQGGY-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365504 664501208 /nfs/dbraw/zinc/50/12/08/664501208.db2.gz OLRUHOHGQFOANN-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365504 664501211 /nfs/dbraw/zinc/50/12/11/664501211.db2.gz OLRUHOHGQFOANN-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001008736386 664504091 /nfs/dbraw/zinc/50/40/91/664504091.db2.gz JAMPCVMZJVGBFX-LLVKDONJSA-N 1 1 320.353 -1.536 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)S1(=O)=O ZINC001008840577 664504369 /nfs/dbraw/zinc/50/43/69/664504369.db2.gz NWUSHRQBGSYRAZ-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001008840577 664504370 /nfs/dbraw/zinc/50/43/70/664504370.db2.gz NWUSHRQBGSYRAZ-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001008827854 664504460 /nfs/dbraw/zinc/50/44/60/664504460.db2.gz LWQNGZBBYXCZEZ-LBPRGKRZSA-N 1 1 324.385 -1.248 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861360 664504514 /nfs/dbraw/zinc/50/45/14/664504514.db2.gz IYMWQZHNFULJGX-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861360 664504516 /nfs/dbraw/zinc/50/45/16/664504516.db2.gz IYMWQZHNFULJGX-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001008874408 664504564 /nfs/dbraw/zinc/50/45/64/664504564.db2.gz AVRAFJZZVBAPOX-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901567 664504772 /nfs/dbraw/zinc/50/47/72/664504772.db2.gz RTKNYXGXGISREM-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901567 664504773 /nfs/dbraw/zinc/50/47/73/664504773.db2.gz RTKNYXGXGISREM-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001008911300 664504946 /nfs/dbraw/zinc/50/49/46/664504946.db2.gz VHNMHEAOCXNOED-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001008911300 664504948 /nfs/dbraw/zinc/50/49/48/664504948.db2.gz VHNMHEAOCXNOED-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001009091537 664505520 /nfs/dbraw/zinc/50/55/20/664505520.db2.gz YPJZSPOQWKJGSL-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC001009135178 664505787 /nfs/dbraw/zinc/50/57/87/664505787.db2.gz WXBWQVABZGFPFU-NXEZZACHSA-N 1 1 320.353 -1.267 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001009415012 664507842 /nfs/dbraw/zinc/50/78/42/664507842.db2.gz NXZMFYCANSZXDI-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001009415012 664507846 /nfs/dbraw/zinc/50/78/46/664507846.db2.gz NXZMFYCANSZXDI-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450214 664508079 /nfs/dbraw/zinc/50/80/79/664508079.db2.gz AAULJYPXHHNCIN-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450214 664508085 /nfs/dbraw/zinc/50/80/85/664508085.db2.gz AAULJYPXHHNCIN-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001009446501 664508175 /nfs/dbraw/zinc/50/81/75/664508175.db2.gz VBUSVQGQYNRQDF-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001009446501 664508176 /nfs/dbraw/zinc/50/81/76/664508176.db2.gz VBUSVQGQYNRQDF-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496146 664508224 /nfs/dbraw/zinc/50/82/24/664508224.db2.gz NSRCUXUWWXJYOI-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496146 664508228 /nfs/dbraw/zinc/50/82/28/664508228.db2.gz NSRCUXUWWXJYOI-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456726 664508380 /nfs/dbraw/zinc/50/83/80/664508380.db2.gz GCGSYXDQRBXHOW-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456726 664508382 /nfs/dbraw/zinc/50/83/82/664508382.db2.gz GCGSYXDQRBXHOW-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009464188 664508499 /nfs/dbraw/zinc/50/84/99/664508499.db2.gz XRQLPXBLBJXHOL-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009464188 664508501 /nfs/dbraw/zinc/50/85/01/664508501.db2.gz XRQLPXBLBJXHOL-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009456087 664508589 /nfs/dbraw/zinc/50/85/89/664508589.db2.gz CSINLJDKQSJMGK-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009456087 664508592 /nfs/dbraw/zinc/50/85/92/664508592.db2.gz CSINLJDKQSJMGK-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649163 664509156 /nfs/dbraw/zinc/50/91/56/664509156.db2.gz QBJNWHQTHLQMPJ-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649163 664509158 /nfs/dbraw/zinc/50/91/58/664509158.db2.gz QBJNWHQTHLQMPJ-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009632302 664509223 /nfs/dbraw/zinc/50/92/23/664509223.db2.gz DMNDBUQPWPUYHJ-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009632300 664509360 /nfs/dbraw/zinc/50/93/60/664509360.db2.gz DMNDBUQPWPUYHJ-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009764223 664511135 /nfs/dbraw/zinc/51/11/35/664511135.db2.gz SRYLFAAJNXUTRO-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009764223 664511136 /nfs/dbraw/zinc/51/11/36/664511136.db2.gz SRYLFAAJNXUTRO-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001010098615 664512567 /nfs/dbraw/zinc/51/25/67/664512567.db2.gz SKCXJBVFWHKSGY-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001010098615 664512568 /nfs/dbraw/zinc/51/25/68/664512568.db2.gz SKCXJBVFWHKSGY-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010079462 664512593 /nfs/dbraw/zinc/51/25/93/664512593.db2.gz NSZWBCSVNAWWRL-GXSJLCMTSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010079462 664512594 /nfs/dbraw/zinc/51/25/94/664512594.db2.gz NSZWBCSVNAWWRL-GXSJLCMTSA-N 1 1 307.358 -1.469 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010088482 664512696 /nfs/dbraw/zinc/51/26/96/664512696.db2.gz PPBNMIYDHZAITG-NSHDSACASA-N 1 1 304.358 -1.160 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001010081116 664512754 /nfs/dbraw/zinc/51/27/54/664512754.db2.gz RUPCGAAYYUJKGG-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCOC1 ZINC001010360542 664514711 /nfs/dbraw/zinc/51/47/11/664514711.db2.gz PTGAEMWBQFAOBE-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010380719 664514803 /nfs/dbraw/zinc/51/48/03/664514803.db2.gz DGHBEMMVUWSLNV-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365146 664514934 /nfs/dbraw/zinc/51/49/34/664514934.db2.gz PPAKLTXQMZUCIB-VXGBXAGGSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365146 664514936 /nfs/dbraw/zinc/51/49/36/664514936.db2.gz PPAKLTXQMZUCIB-VXGBXAGGSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]c1 ZINC001010319438 664514960 /nfs/dbraw/zinc/51/49/60/664514960.db2.gz IRNMGKSBEDLAOR-SNVBAGLBSA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]c1 ZINC001010319438 664514965 /nfs/dbraw/zinc/51/49/65/664514965.db2.gz IRNMGKSBEDLAOR-SNVBAGLBSA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCOC1 ZINC001010360547 664515011 /nfs/dbraw/zinc/51/50/11/664515011.db2.gz PTGAEMWBQFAOBE-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010381565 664515442 /nfs/dbraw/zinc/51/54/42/664515442.db2.gz UCZOPRZISVGWMN-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427656 664515777 /nfs/dbraw/zinc/51/57/77/664515777.db2.gz MMUVLBDNUJEGMG-CHWSQXEVSA-N 1 1 308.386 -1.201 20 0 DAADMO Cn1nncc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426684 664515991 /nfs/dbraw/zinc/51/59/91/664515991.db2.gz IYAHZEXNDJCUOP-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426684 664515994 /nfs/dbraw/zinc/51/59/94/664515994.db2.gz IYAHZEXNDJCUOP-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001010546634 664516386 /nfs/dbraw/zinc/51/63/86/664516386.db2.gz QOGXSIUFYYLXFJ-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010662413 664517337 /nfs/dbraw/zinc/51/73/37/664517337.db2.gz LZGQRPJGCJWTSF-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697274 664518267 /nfs/dbraw/zinc/51/82/67/664518267.db2.gz JLIITVKCZUDJSB-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697274 664518268 /nfs/dbraw/zinc/51/82/68/664518268.db2.gz JLIITVKCZUDJSB-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010696579 664518438 /nfs/dbraw/zinc/51/84/38/664518438.db2.gz HLYYMBZIYRRVQM-BDAKNGLRSA-N 1 1 322.325 -2.021 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010696579 664518441 /nfs/dbraw/zinc/51/84/41/664518441.db2.gz HLYYMBZIYRRVQM-BDAKNGLRSA-N 1 1 322.325 -2.021 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010696954 664518449 /nfs/dbraw/zinc/51/84/49/664518449.db2.gz ILNIVESCLUOMMC-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001010696954 664518452 /nfs/dbraw/zinc/51/84/52/664518452.db2.gz ILNIVESCLUOMMC-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cnnn2)CC1 ZINC001010720709 664518624 /nfs/dbraw/zinc/51/86/24/664518624.db2.gz JUZIEOOJDSQPER-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001010727865 664518709 /nfs/dbraw/zinc/51/87/09/664518709.db2.gz ZPOLREDDPJPTDX-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cncnc1 ZINC001010724659 664519011 /nfs/dbraw/zinc/51/90/11/664519011.db2.gz FQTLKFSEHQGBTK-LLVKDONJSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cncnc1 ZINC001010724659 664519014 /nfs/dbraw/zinc/51/90/14/664519014.db2.gz FQTLKFSEHQGBTK-LLVKDONJSA-N 1 1 318.337 -1.168 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010781190 664519340 /nfs/dbraw/zinc/51/93/40/664519340.db2.gz PXHNWTBUALMBHP-ZDUSSCGKSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010793027 664519680 /nfs/dbraw/zinc/51/96/80/664519680.db2.gz FLCIHHWNYMUFSA-JQWIXIFHSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010793027 664519684 /nfs/dbraw/zinc/51/96/84/664519684.db2.gz FLCIHHWNYMUFSA-JQWIXIFHSA-N 1 1 319.365 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010820462 664520474 /nfs/dbraw/zinc/52/04/74/664520474.db2.gz MDBBRGIFUWPJFL-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010820462 664520475 /nfs/dbraw/zinc/52/04/75/664520475.db2.gz MDBBRGIFUWPJFL-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001010817474 664520602 /nfs/dbraw/zinc/52/06/02/664520602.db2.gz RBTNPLHBRWREDM-KOLCDFICSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001010817474 664520603 /nfs/dbraw/zinc/52/06/03/664520603.db2.gz RBTNPLHBRWREDM-KOLCDFICSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010845199 664520777 /nfs/dbraw/zinc/52/07/77/664520777.db2.gz WHEYZDYTZKSNLY-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010845199 664520778 /nfs/dbraw/zinc/52/07/78/664520778.db2.gz WHEYZDYTZKSNLY-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001010843353 664521255 /nfs/dbraw/zinc/52/12/55/664521255.db2.gz WFXUNXCGNXNLFJ-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001010875461 664521515 /nfs/dbraw/zinc/52/15/15/664521515.db2.gz XYHLRWBECFXHHI-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001010875461 664521517 /nfs/dbraw/zinc/52/15/17/664521517.db2.gz XYHLRWBECFXHHI-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)nn1 ZINC001010875395 664522319 /nfs/dbraw/zinc/52/23/19/664522319.db2.gz XVHITUYIOYFVDA-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)nn1 ZINC001010875395 664522324 /nfs/dbraw/zinc/52/23/24/664522324.db2.gz XVHITUYIOYFVDA-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001011159429 664526267 /nfs/dbraw/zinc/52/62/67/664526267.db2.gz VWALBFCIOXACFT-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001011159899 664526422 /nfs/dbraw/zinc/52/64/22/664526422.db2.gz IEGLNWOSTMZZOT-LBPRGKRZSA-N 1 1 306.370 -1.099 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001011162732 664526462 /nfs/dbraw/zinc/52/64/62/664526462.db2.gz UIJBRLHFRYETPQ-JTQLQIEISA-N 1 1 307.358 -1.554 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001011159428 664526560 /nfs/dbraw/zinc/52/65/60/664526560.db2.gz VWALBFCIOXACFT-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001011159610 664526610 /nfs/dbraw/zinc/52/66/10/664526610.db2.gz ZJZHDHVYAVIOLT-TUAOUCFPSA-N 1 1 308.382 -1.270 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001011162710 664526622 /nfs/dbraw/zinc/52/66/22/664526622.db2.gz SLUWZKNDQYIMMF-RYUDHWBXSA-N 1 1 323.397 -1.368 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001011217372 664527705 /nfs/dbraw/zinc/52/77/05/664527705.db2.gz WCJAVGFKTZFZRS-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001011217372 664527708 /nfs/dbraw/zinc/52/77/08/664527708.db2.gz WCJAVGFKTZFZRS-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C2 ZINC001011304743 664529089 /nfs/dbraw/zinc/52/90/89/664529089.db2.gz HYFSWSRZNNJENI-SNVBAGLBSA-N 1 1 319.365 -1.021 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001011580871 664531544 /nfs/dbraw/zinc/53/15/44/664531544.db2.gz FYQSPJPUXKRIKB-UHFFFAOYSA-N 1 1 319.365 -1.082 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C(N)=O ZINC001012024638 664538439 /nfs/dbraw/zinc/53/84/39/664538439.db2.gz ZKGPXDGAUIYHAE-WCBMZHEXSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001012290797 664540939 /nfs/dbraw/zinc/54/09/39/664540939.db2.gz PBDATZCKZFRHFE-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC001013240415 664547272 /nfs/dbraw/zinc/54/72/72/664547272.db2.gz NWXLYPAOGBDMST-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395118 664553765 /nfs/dbraw/zinc/55/37/65/664553765.db2.gz HYYSPFIHSPOQPD-JQWIXIFHSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395118 664553768 /nfs/dbraw/zinc/55/37/68/664553768.db2.gz HYYSPFIHSPOQPD-JQWIXIFHSA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001014425109 664554134 /nfs/dbraw/zinc/55/41/34/664554134.db2.gz CVHMTSHHKBELJM-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001014425109 664554137 /nfs/dbraw/zinc/55/41/37/664554137.db2.gz CVHMTSHHKBELJM-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001014425111 664554349 /nfs/dbraw/zinc/55/43/49/664554349.db2.gz CVHMTSHHKBELJM-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001014425111 664554351 /nfs/dbraw/zinc/55/43/51/664554351.db2.gz CVHMTSHHKBELJM-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014432925 664554627 /nfs/dbraw/zinc/55/46/27/664554627.db2.gz YRIJOSAQHHZXBY-LBPRGKRZSA-N 1 1 319.373 -1.228 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431814 664554669 /nfs/dbraw/zinc/55/46/69/664554669.db2.gz VRZNVOSOEXWVGQ-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431814 664554671 /nfs/dbraw/zinc/55/46/71/664554671.db2.gz VRZNVOSOEXWVGQ-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001014432924 664554695 /nfs/dbraw/zinc/55/46/95/664554695.db2.gz YRIJOSAQHHZXBY-GFCCVEGCSA-N 1 1 319.373 -1.228 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441088 664554730 /nfs/dbraw/zinc/55/47/30/664554730.db2.gz YIUFVTXKHZILBV-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441088 664554733 /nfs/dbraw/zinc/55/47/33/664554733.db2.gz YIUFVTXKHZILBV-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001014431758 664554784 /nfs/dbraw/zinc/55/47/84/664554784.db2.gz VEOKOJUUPPGVPE-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014448375 664554884 /nfs/dbraw/zinc/55/48/84/664554884.db2.gz WHTSQHNOWNFYBG-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014446798 664554931 /nfs/dbraw/zinc/55/49/31/664554931.db2.gz JMWHONQLESBNKX-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447669 664555047 /nfs/dbraw/zinc/55/50/47/664555047.db2.gz QGOIGSLCYWTVBW-RYUDHWBXSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447669 664555048 /nfs/dbraw/zinc/55/50/48/664555048.db2.gz QGOIGSLCYWTVBW-RYUDHWBXSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014448374 664555054 /nfs/dbraw/zinc/55/50/54/664555054.db2.gz WHTSQHNOWNFYBG-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001014507821 664555355 /nfs/dbraw/zinc/55/53/55/664555355.db2.gz LMCJFMDDBIPWPH-GHMZBOCLSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001014507826 664555385 /nfs/dbraw/zinc/55/53/85/664555385.db2.gz LMCJFMDDBIPWPH-MNOVXSKESA-N 1 1 322.369 -1.396 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001014503949 664555400 /nfs/dbraw/zinc/55/54/00/664555400.db2.gz SYAHAYCWLMTYEE-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014500178 664555408 /nfs/dbraw/zinc/55/54/08/664555408.db2.gz GZNNNZNDNZPDGY-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506201 664555624 /nfs/dbraw/zinc/55/56/24/664555624.db2.gz FYHMUOJXFBGTDR-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506201 664555626 /nfs/dbraw/zinc/55/56/26/664555626.db2.gz FYHMUOJXFBGTDR-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579785 664555975 /nfs/dbraw/zinc/55/59/75/664555975.db2.gz NBZPMICQVAZRRX-ONGXEEELSA-N 1 1 315.337 -1.183 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579785 664555977 /nfs/dbraw/zinc/55/59/77/664555977.db2.gz NBZPMICQVAZRRX-ONGXEEELSA-N 1 1 315.337 -1.183 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623214 664556329 /nfs/dbraw/zinc/55/63/29/664556329.db2.gz BDDRIUOIPGXOLZ-VHSXEESVSA-N 1 1 323.353 -2.389 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623214 664556331 /nfs/dbraw/zinc/55/63/31/664556331.db2.gz BDDRIUOIPGXOLZ-VHSXEESVSA-N 1 1 323.353 -2.389 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014703855 664556617 /nfs/dbraw/zinc/55/66/17/664556617.db2.gz DWPIOQFNUWTEAU-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014710102 664556818 /nfs/dbraw/zinc/55/68/18/664556818.db2.gz DNGRJEXAPMECNN-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014710102 664556819 /nfs/dbraw/zinc/55/68/19/664556819.db2.gz DNGRJEXAPMECNN-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014710101 664556949 /nfs/dbraw/zinc/55/69/49/664556949.db2.gz DNGRJEXAPMECNN-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014710101 664556951 /nfs/dbraw/zinc/55/69/51/664556951.db2.gz DNGRJEXAPMECNN-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001014742394 664557251 /nfs/dbraw/zinc/55/72/51/664557251.db2.gz SQWATUHHTVAAHC-ZDUSSCGKSA-N 1 1 321.381 -1.068 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001014740367 664557305 /nfs/dbraw/zinc/55/73/05/664557305.db2.gz KYJKCYRFXWJQJH-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001014740367 664557306 /nfs/dbraw/zinc/55/73/06/664557306.db2.gz KYJKCYRFXWJQJH-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768918 664557552 /nfs/dbraw/zinc/55/75/52/664557552.db2.gz FWAVFBOFFAEKIZ-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768918 664557554 /nfs/dbraw/zinc/55/75/54/664557554.db2.gz FWAVFBOFFAEKIZ-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797415 664557591 /nfs/dbraw/zinc/55/75/91/664557591.db2.gz RRQUAEBLPWHCIJ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797415 664557592 /nfs/dbraw/zinc/55/75/92/664557592.db2.gz RRQUAEBLPWHCIJ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001014770421 664557641 /nfs/dbraw/zinc/55/76/41/664557641.db2.gz PZCNCCDQDWBUHK-QWRGUYRKSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001014770421 664557643 /nfs/dbraw/zinc/55/76/43/664557643.db2.gz PZCNCCDQDWBUHK-QWRGUYRKSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768919 664557686 /nfs/dbraw/zinc/55/76/86/664557686.db2.gz FWAVFBOFFAEKIZ-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014768919 664557688 /nfs/dbraw/zinc/55/76/88/664557688.db2.gz FWAVFBOFFAEKIZ-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797414 664557856 /nfs/dbraw/zinc/55/78/56/664557856.db2.gz RRQUAEBLPWHCIJ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797414 664557859 /nfs/dbraw/zinc/55/78/59/664557859.db2.gz RRQUAEBLPWHCIJ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014768352 664557874 /nfs/dbraw/zinc/55/78/74/664557874.db2.gz CGTXQJJKVSDURF-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014768352 664557876 /nfs/dbraw/zinc/55/78/76/664557876.db2.gz CGTXQJJKVSDURF-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCCNC1=O ZINC001014820262 664558038 /nfs/dbraw/zinc/55/80/38/664558038.db2.gz BHTJIMZIXQPIJK-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001014861290 664558065 /nfs/dbraw/zinc/55/80/65/664558065.db2.gz UDSDORDSQRYCHD-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001014826040 664558147 /nfs/dbraw/zinc/55/81/47/664558147.db2.gz ZQFVYUONPLGIIZ-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874136 664558179 /nfs/dbraw/zinc/55/81/79/664558179.db2.gz KFRQBYWVHMQTRR-PSASIEDQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874136 664558182 /nfs/dbraw/zinc/55/81/82/664558182.db2.gz KFRQBYWVHMQTRR-PSASIEDQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001014826038 664558267 /nfs/dbraw/zinc/55/82/67/664558267.db2.gz ZQFVYUONPLGIIZ-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874137 664558287 /nfs/dbraw/zinc/55/82/87/664558287.db2.gz KFRQBYWVHMQTRR-SCZZXKLOSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874137 664558289 /nfs/dbraw/zinc/55/82/89/664558289.db2.gz KFRQBYWVHMQTRR-SCZZXKLOSA-N 1 1 319.321 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)O1 ZINC001014922360 664558743 /nfs/dbraw/zinc/55/87/43/664558743.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(CC(=O)N(C)C)C2)O1 ZINC001014922360 664558744 /nfs/dbraw/zinc/55/87/44/664558744.db2.gz BVQRAJCSONJAEC-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003828 664559039 /nfs/dbraw/zinc/55/90/39/664559039.db2.gz LWUPEXTUXAEDAU-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003828 664559040 /nfs/dbraw/zinc/55/90/40/664559040.db2.gz LWUPEXTUXAEDAU-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)co1 ZINC001014984629 664559105 /nfs/dbraw/zinc/55/91/05/664559105.db2.gz UHRBXFMHPNHEQA-VIFPVBQESA-N 1 1 303.340 -1.277 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003825 664559111 /nfs/dbraw/zinc/55/91/11/664559111.db2.gz LWUPEXTUXAEDAU-NXEZZACHSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003825 664559114 /nfs/dbraw/zinc/55/91/14/664559114.db2.gz LWUPEXTUXAEDAU-NXEZZACHSA-N 1 1 310.358 -2.093 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C2)c1=O ZINC001015002321 664559210 /nfs/dbraw/zinc/55/92/10/664559210.db2.gz AQAPEEFUZSGDAW-GFCCVEGCSA-N 1 1 319.369 -1.331 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C2)c1=O ZINC001015011429 664559297 /nfs/dbraw/zinc/55/92/97/664559297.db2.gz WLSFIVAQRCQKJK-LLVKDONJSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)c1=O ZINC001015011429 664559300 /nfs/dbraw/zinc/55/93/00/664559300.db2.gz WLSFIVAQRCQKJK-LLVKDONJSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c1=O ZINC001015009474 664559326 /nfs/dbraw/zinc/55/93/26/664559326.db2.gz NVHQKOIFEMWQPY-NEPJUHHUSA-N 1 1 309.370 -1.191 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001015042135 664559434 /nfs/dbraw/zinc/55/94/34/664559434.db2.gz IGFQSVOPRXBRQI-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1=O ZINC001015009475 664559489 /nfs/dbraw/zinc/55/94/89/664559489.db2.gz NVHQKOIFEMWQPY-NWDGAFQWSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)c1=O ZINC001015008346 664559515 /nfs/dbraw/zinc/55/95/15/664559515.db2.gz JNJGDXNVKBUWEJ-LLVKDONJSA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)c1=O ZINC001015008346 664559518 /nfs/dbraw/zinc/55/95/18/664559518.db2.gz JNJGDXNVKBUWEJ-LLVKDONJSA-N 1 1 322.369 -1.995 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015079929 664559865 /nfs/dbraw/zinc/55/98/65/664559865.db2.gz DDZQRJCHXGFVPC-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015079929 664559867 /nfs/dbraw/zinc/55/98/67/664559867.db2.gz DDZQRJCHXGFVPC-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)NC1 ZINC001015051293 664560055 /nfs/dbraw/zinc/56/00/55/664560055.db2.gz ZTFLGBCDPGBZHN-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cn[nH]n1 ZINC001015057073 664560193 /nfs/dbraw/zinc/56/01/93/664560193.db2.gz GJHBUFUGFJOTSD-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057073 664560196 /nfs/dbraw/zinc/56/01/96/664560196.db2.gz GJHBUFUGFJOTSD-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057073 664560199 /nfs/dbraw/zinc/56/01/99/664560199.db2.gz GJHBUFUGFJOTSD-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082006 664560332 /nfs/dbraw/zinc/56/03/32/664560332.db2.gz SXDJFQCSSWNAGX-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082006 664560334 /nfs/dbraw/zinc/56/03/34/664560334.db2.gz SXDJFQCSSWNAGX-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082008 664560526 /nfs/dbraw/zinc/56/05/26/664560526.db2.gz SXDJFQCSSWNAGX-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082008 664560529 /nfs/dbraw/zinc/56/05/29/664560529.db2.gz SXDJFQCSSWNAGX-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081405 664560597 /nfs/dbraw/zinc/56/05/97/664560597.db2.gz NHBHVKXGWXWRCR-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081405 664560599 /nfs/dbraw/zinc/56/05/99/664560599.db2.gz NHBHVKXGWXWRCR-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082007 664560626 /nfs/dbraw/zinc/56/06/26/664560626.db2.gz SXDJFQCSSWNAGX-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015082007 664560627 /nfs/dbraw/zinc/56/06/27/664560627.db2.gz SXDJFQCSSWNAGX-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093379 664560661 /nfs/dbraw/zinc/56/06/61/664560661.db2.gz YXDNFNQMMDSEPD-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093379 664560662 /nfs/dbraw/zinc/56/06/62/664560662.db2.gz YXDNFNQMMDSEPD-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139651 664560993 /nfs/dbraw/zinc/56/09/93/664560993.db2.gz JOCPHRGNWCYGEL-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139651 664560994 /nfs/dbraw/zinc/56/09/94/664560994.db2.gz JOCPHRGNWCYGEL-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015136586 664561087 /nfs/dbraw/zinc/56/10/87/664561087.db2.gz CTHYNKIYKXEMPC-UWVGGRQHSA-N 1 1 321.337 -1.972 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015136586 664561090 /nfs/dbraw/zinc/56/10/90/664561090.db2.gz CTHYNKIYKXEMPC-UWVGGRQHSA-N 1 1 321.337 -1.972 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015130355 664561094 /nfs/dbraw/zinc/56/10/94/664561094.db2.gz ZIPTYJDXGUINCB-QWRGUYRKSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015130355 664561095 /nfs/dbraw/zinc/56/10/95/664561095.db2.gz ZIPTYJDXGUINCB-QWRGUYRKSA-N 1 1 319.365 -1.183 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328606 664561886 /nfs/dbraw/zinc/56/18/86/664561886.db2.gz JMSUTOCFVANDTF-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328606 664561888 /nfs/dbraw/zinc/56/18/88/664561888.db2.gz JMSUTOCFVANDTF-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001015368488 664562532 /nfs/dbraw/zinc/56/25/32/664562532.db2.gz KMEBCHWZDDSVCQ-PWSUYJOCSA-N 1 1 307.354 -1.062 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330608 664562567 /nfs/dbraw/zinc/56/25/67/664562567.db2.gz TXULUKYGIXTLGA-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330608 664562569 /nfs/dbraw/zinc/56/25/69/664562569.db2.gz TXULUKYGIXTLGA-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376385 664562818 /nfs/dbraw/zinc/56/28/18/664562818.db2.gz MYOLCTJXFJCBLX-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376385 664562819 /nfs/dbraw/zinc/56/28/19/664562819.db2.gz MYOLCTJXFJCBLX-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376381 664563014 /nfs/dbraw/zinc/56/30/14/664563014.db2.gz MYOLCTJXFJCBLX-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CNC(=O)C1 ZINC001015376381 664563017 /nfs/dbraw/zinc/56/30/17/664563017.db2.gz MYOLCTJXFJCBLX-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C1)c1ccc(-n2cnnn2)cn1 ZINC001015383129 664563033 /nfs/dbraw/zinc/56/30/33/664563033.db2.gz SVGVQHURKNNTAH-JTQLQIEISA-N 1 1 303.326 -1.146 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001015456836 664563051 /nfs/dbraw/zinc/56/30/51/664563051.db2.gz PBZSZPQIOSCJBS-VIFPVBQESA-N 1 1 306.330 -1.510 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C1)c1ccc(-n2cnnn2)cn1 ZINC001015383131 664563137 /nfs/dbraw/zinc/56/31/37/664563137.db2.gz SVGVQHURKNNTAH-SNVBAGLBSA-N 1 1 303.326 -1.146 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015487302 664563380 /nfs/dbraw/zinc/56/33/80/664563380.db2.gz LHGHDKQAEOLTTQ-SCZZXKLOSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015487302 664563381 /nfs/dbraw/zinc/56/33/81/664563381.db2.gz LHGHDKQAEOLTTQ-SCZZXKLOSA-N 1 1 321.337 -1.822 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508120 664563446 /nfs/dbraw/zinc/56/34/46/664563446.db2.gz GWYXMECJRPIVOG-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508120 664563448 /nfs/dbraw/zinc/56/34/48/664563448.db2.gz GWYXMECJRPIVOG-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)NC1=O ZINC001015511757 664563767 /nfs/dbraw/zinc/56/37/67/664563767.db2.gz YMMKCHZRNWVSMW-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510115 664564059 /nfs/dbraw/zinc/56/40/59/664564059.db2.gz RESZWIFSFGVBSS-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510115 664564060 /nfs/dbraw/zinc/56/40/60/664564060.db2.gz RESZWIFSFGVBSS-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509946 664564080 /nfs/dbraw/zinc/56/40/80/664564080.db2.gz QAYCHIQZLLYQJX-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509946 664564081 /nfs/dbraw/zinc/56/40/81/664564081.db2.gz QAYCHIQZLLYQJX-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001015511047 664564116 /nfs/dbraw/zinc/56/41/16/664564116.db2.gz VEAVMZFGRCNWIY-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015510499 664564123 /nfs/dbraw/zinc/56/41/23/664564123.db2.gz RVWUYVOWANZBGX-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015510499 664564124 /nfs/dbraw/zinc/56/41/24/664564124.db2.gz RVWUYVOWANZBGX-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCOCC1 ZINC001015549265 664564481 /nfs/dbraw/zinc/56/44/81/664564481.db2.gz BYDWNRGHEAPDQS-RMRHIDDWSA-N 1 1 323.393 -1.072 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCOCC1 ZINC001015549265 664564484 /nfs/dbraw/zinc/56/44/84/664564484.db2.gz BYDWNRGHEAPDQS-RMRHIDDWSA-N 1 1 323.393 -1.072 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001015553837 664564767 /nfs/dbraw/zinc/56/47/67/664564767.db2.gz IWVGFVDJQUQYBD-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001015553837 664564769 /nfs/dbraw/zinc/56/47/69/664564769.db2.gz IWVGFVDJQUQYBD-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001015553829 664564800 /nfs/dbraw/zinc/56/48/00/664564800.db2.gz IWVGFVDJQUQYBD-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001015553829 664564802 /nfs/dbraw/zinc/56/48/02/664564802.db2.gz IWVGFVDJQUQYBD-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)n1 ZINC001015552762 664564966 /nfs/dbraw/zinc/56/49/66/664564966.db2.gz GRFWRNAXIZUYKC-VHSXEESVSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001015553825 664564990 /nfs/dbraw/zinc/56/49/90/664564990.db2.gz IWVGFVDJQUQYBD-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001015553825 664564992 /nfs/dbraw/zinc/56/49/92/664564992.db2.gz IWVGFVDJQUQYBD-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622019 664565611 /nfs/dbraw/zinc/56/56/11/664565611.db2.gz BABOIPAQSOTIMI-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622019 664565612 /nfs/dbraw/zinc/56/56/12/664565612.db2.gz BABOIPAQSOTIMI-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622411 664565623 /nfs/dbraw/zinc/56/56/23/664565623.db2.gz GXMUMIZJIRSNSB-GXSJLCMTSA-N 1 1 305.338 -1.195 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622411 664565624 /nfs/dbraw/zinc/56/56/24/664565624.db2.gz GXMUMIZJIRSNSB-GXSJLCMTSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(Cc1cnoc1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015602345 664565664 /nfs/dbraw/zinc/56/56/64/664565664.db2.gz SDGORYRSQDSRQL-NSHDSACASA-N 1 1 321.337 -1.041 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001015634844 664565947 /nfs/dbraw/zinc/56/59/47/664565947.db2.gz OMGBFXRAOZHNTK-NWDGAFQWSA-N 1 1 306.370 -1.166 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015681916 664566797 /nfs/dbraw/zinc/56/67/97/664566797.db2.gz OFMIWBRFOGVGGM-SFYZADRCSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCNC1=O ZINC001015695346 664566936 /nfs/dbraw/zinc/56/69/36/664566936.db2.gz JFILNBHQIJYWRJ-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCNC1=O ZINC001015695345 664567057 /nfs/dbraw/zinc/56/70/57/664567057.db2.gz JFILNBHQIJYWRJ-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001015681913 664567079 /nfs/dbraw/zinc/56/70/79/664567079.db2.gz OFMIWBRFOGVGGM-HTQZYQBOSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CCNC1=O ZINC001015699825 664567310 /nfs/dbraw/zinc/56/73/10/664567310.db2.gz RQZSDDWHXYZHQG-RISCZKNCSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769667 664567376 /nfs/dbraw/zinc/56/73/76/664567376.db2.gz GDDLZGSUEDVDND-ZJUUUORDSA-N 1 1 321.341 -1.933 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015706069 664567390 /nfs/dbraw/zinc/56/73/90/664567390.db2.gz AZFJVYVEDQZVDZ-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015706069 664567392 /nfs/dbraw/zinc/56/73/92/664567392.db2.gz AZFJVYVEDQZVDZ-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015715328 664567516 /nfs/dbraw/zinc/56/75/16/664567516.db2.gz VPFSYNBDHOZTJQ-AXFHLTTASA-N 1 1 309.370 -1.677 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770947 664567623 /nfs/dbraw/zinc/56/76/23/664567623.db2.gz WNWYGZUETLFJNF-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770947 664567624 /nfs/dbraw/zinc/56/76/24/664567624.db2.gz WNWYGZUETLFJNF-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001015788858 664567660 /nfs/dbraw/zinc/56/76/60/664567660.db2.gz LHLMYWJWLXXQFV-SNVBAGLBSA-N 1 1 310.354 -1.730 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789613 664567886 /nfs/dbraw/zinc/56/78/86/664567886.db2.gz SBDGRTIKOUKSKW-VIFPVBQESA-N 1 1 323.353 -2.366 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789613 664567887 /nfs/dbraw/zinc/56/78/87/664567887.db2.gz SBDGRTIKOUKSKW-VIFPVBQESA-N 1 1 323.353 -2.366 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015789725 664567947 /nfs/dbraw/zinc/56/79/47/664567947.db2.gz VFVJUOMQALQXKA-NSHDSACASA-N 1 1 320.353 -1.536 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836493 664568148 /nfs/dbraw/zinc/56/81/48/664568148.db2.gz HNKIVKPCQUANEU-ZJUUUORDSA-N 1 1 308.338 -1.882 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836493 664568150 /nfs/dbraw/zinc/56/81/50/664568150.db2.gz HNKIVKPCQUANEU-ZJUUUORDSA-N 1 1 308.338 -1.882 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822866 664568236 /nfs/dbraw/zinc/56/82/36/664568236.db2.gz NDYRJSSKMNXUJM-RYUDHWBXSA-N 1 1 324.385 -1.250 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015834785 664568433 /nfs/dbraw/zinc/56/84/33/664568433.db2.gz LONNYXQTSWICAM-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001015822845 664568479 /nfs/dbraw/zinc/56/84/79/664568479.db2.gz MWSNRWUSQGZBFW-NSHDSACASA-N 1 1 310.358 -1.638 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001015864671 664568730 /nfs/dbraw/zinc/56/87/30/664568730.db2.gz FTXHBKQWCXRNOV-NSHDSACASA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001015864671 664568732 /nfs/dbraw/zinc/56/87/32/664568732.db2.gz FTXHBKQWCXRNOV-NSHDSACASA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001015864670 664568918 /nfs/dbraw/zinc/56/89/18/664568918.db2.gz FTXHBKQWCXRNOV-LLVKDONJSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)cn1 ZINC001015864670 664568920 /nfs/dbraw/zinc/56/89/20/664568920.db2.gz FTXHBKQWCXRNOV-LLVKDONJSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864837 664568936 /nfs/dbraw/zinc/56/89/36/664568936.db2.gz JDGSYLNLVSWWPX-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864837 664568937 /nfs/dbraw/zinc/56/89/37/664568937.db2.gz JDGSYLNLVSWWPX-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015843126 664568989 /nfs/dbraw/zinc/56/89/89/664568989.db2.gz WQZGQEIIGXMXCR-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015843126 664568990 /nfs/dbraw/zinc/56/89/90/664568990.db2.gz WQZGQEIIGXMXCR-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837716 664568997 /nfs/dbraw/zinc/56/89/97/664568997.db2.gz ZCUDYKHJNZXRGZ-WCBMZHEXSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837716 664568998 /nfs/dbraw/zinc/56/89/98/664568998.db2.gz ZCUDYKHJNZXRGZ-WCBMZHEXSA-N 1 1 310.354 -1.636 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864521 664569033 /nfs/dbraw/zinc/56/90/33/664569033.db2.gz AXTZYTYBQVSPID-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864521 664569034 /nfs/dbraw/zinc/56/90/34/664569034.db2.gz AXTZYTYBQVSPID-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015895906 664569271 /nfs/dbraw/zinc/56/92/71/664569271.db2.gz QPCSCYKPXARBRN-BDAKNGLRSA-N 1 1 323.353 -1.197 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015895906 664569273 /nfs/dbraw/zinc/56/92/73/664569273.db2.gz QPCSCYKPXARBRN-BDAKNGLRSA-N 1 1 323.353 -1.197 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015905493 664569412 /nfs/dbraw/zinc/56/94/12/664569412.db2.gz OVKYECLGZFZOQM-NXEZZACHSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015905493 664569414 /nfs/dbraw/zinc/56/94/14/664569414.db2.gz OVKYECLGZFZOQM-NXEZZACHSA-N 1 1 305.338 -1.052 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001015868863 664569446 /nfs/dbraw/zinc/56/94/46/664569446.db2.gz FGLRHHVPZRAMMM-CMPLNLGQSA-N 1 1 319.365 -1.044 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001015868863 664569448 /nfs/dbraw/zinc/56/94/48/664569448.db2.gz FGLRHHVPZRAMMM-CMPLNLGQSA-N 1 1 319.365 -1.044 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865352 664569534 /nfs/dbraw/zinc/56/95/34/664569534.db2.gz WQLABMHPCPHMSH-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865352 664569535 /nfs/dbraw/zinc/56/95/35/664569535.db2.gz WQLABMHPCPHMSH-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015881245 664569565 /nfs/dbraw/zinc/56/95/65/664569565.db2.gz UTDXSJKYKUAWHT-MRVPVSSYSA-N 1 1 308.298 -1.575 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015881245 664569566 /nfs/dbraw/zinc/56/95/66/664569566.db2.gz UTDXSJKYKUAWHT-MRVPVSSYSA-N 1 1 308.298 -1.575 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1nnc[nH]1 ZINC001015874042 664569610 /nfs/dbraw/zinc/56/96/10/664569610.db2.gz PWLHMOJUITXPLG-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874042 664569611 /nfs/dbraw/zinc/56/96/11/664569611.db2.gz PWLHMOJUITXPLG-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874042 664569612 /nfs/dbraw/zinc/56/96/12/664569612.db2.gz PWLHMOJUITXPLG-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015895909 664569717 /nfs/dbraw/zinc/56/97/17/664569717.db2.gz QPCSCYKPXARBRN-RKDXNWHRSA-N 1 1 323.353 -1.197 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015895909 664569721 /nfs/dbraw/zinc/56/97/21/664569721.db2.gz QPCSCYKPXARBRN-RKDXNWHRSA-N 1 1 323.353 -1.197 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001015907254 664569860 /nfs/dbraw/zinc/56/98/60/664569860.db2.gz GENHIBIIAQVCMV-MWLCHTKSSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001015907254 664569861 /nfs/dbraw/zinc/56/98/61/664569861.db2.gz GENHIBIIAQVCMV-MWLCHTKSSA-N 1 1 305.338 -1.194 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015996149 664570361 /nfs/dbraw/zinc/57/03/61/664570361.db2.gz DXEKBTYUNBKKNJ-ZYHUDNBSSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015996149 664570362 /nfs/dbraw/zinc/57/03/62/664570362.db2.gz DXEKBTYUNBKKNJ-ZYHUDNBSSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016031917 664570404 /nfs/dbraw/zinc/57/04/04/664570404.db2.gz UCZOPRZISVGWMN-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001015987619 664570428 /nfs/dbraw/zinc/57/04/28/664570428.db2.gz MIDDFZLJOOYTKA-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001015987619 664570429 /nfs/dbraw/zinc/57/04/29/664570429.db2.gz MIDDFZLJOOYTKA-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016048614 664570435 /nfs/dbraw/zinc/57/04/35/664570435.db2.gz ZNHMFBRMYSOZMF-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001015986347 664570510 /nfs/dbraw/zinc/57/05/10/664570510.db2.gz JLWQFSOILDXGLC-SECBINFHSA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001015986347 664570512 /nfs/dbraw/zinc/57/05/12/664570512.db2.gz JLWQFSOILDXGLC-SECBINFHSA-N 1 1 318.337 -1.015 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001016058014 664570600 /nfs/dbraw/zinc/57/06/00/664570600.db2.gz OIAJOLWLCQRDIP-NWDGAFQWSA-N 1 1 319.365 -1.369 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001016058014 664570602 /nfs/dbraw/zinc/57/06/02/664570602.db2.gz OIAJOLWLCQRDIP-NWDGAFQWSA-N 1 1 319.365 -1.369 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001015987620 664570834 /nfs/dbraw/zinc/57/08/34/664570834.db2.gz MIDDFZLJOOYTKA-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001015987620 664570835 /nfs/dbraw/zinc/57/08/35/664570835.db2.gz MIDDFZLJOOYTKA-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140251 664571071 /nfs/dbraw/zinc/57/10/71/664571071.db2.gz GQMICQWGIBQBHZ-QWRGUYRKSA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140251 664571074 /nfs/dbraw/zinc/57/10/74/664571074.db2.gz GQMICQWGIBQBHZ-QWRGUYRKSA-N 1 1 322.369 -2.031 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1=O ZINC001016174508 664571342 /nfs/dbraw/zinc/57/13/42/664571342.db2.gz LOLNUUNZLDONEH-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016192251 664571430 /nfs/dbraw/zinc/57/14/30/664571430.db2.gz HHSZHSSDSMJZHF-ZJUUUORDSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016192251 664571431 /nfs/dbraw/zinc/57/14/31/664571431.db2.gz HHSZHSSDSMJZHF-ZJUUUORDSA-N 1 1 306.326 -1.726 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199148 664571562 /nfs/dbraw/zinc/57/15/62/664571562.db2.gz HIANRCNBNDSSRE-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189546 664571509 /nfs/dbraw/zinc/57/15/09/664571509.db2.gz BWGXRMWRDVZKHM-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189546 664571510 /nfs/dbraw/zinc/57/15/10/664571510.db2.gz BWGXRMWRDVZKHM-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199148 664571563 /nfs/dbraw/zinc/57/15/63/664571563.db2.gz HIANRCNBNDSSRE-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001016200128 664571783 /nfs/dbraw/zinc/57/17/83/664571783.db2.gz RORRDEQLUMTYJF-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001016200128 664571789 /nfs/dbraw/zinc/57/17/89/664571789.db2.gz RORRDEQLUMTYJF-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200702 664571875 /nfs/dbraw/zinc/57/18/75/664571875.db2.gz YMQBAYGTVFDRIN-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200702 664571876 /nfs/dbraw/zinc/57/18/76/664571876.db2.gz YMQBAYGTVFDRIN-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001016200132 664571921 /nfs/dbraw/zinc/57/19/21/664571921.db2.gz RORRDEQLUMTYJF-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1=O ZINC001016200132 664571922 /nfs/dbraw/zinc/57/19/22/664571922.db2.gz RORRDEQLUMTYJF-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016202649 664571926 /nfs/dbraw/zinc/57/19/26/664571926.db2.gz OPQXESFBYIPUSA-SNVBAGLBSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016202649 664571927 /nfs/dbraw/zinc/57/19/27/664571927.db2.gz OPQXESFBYIPUSA-SNVBAGLBSA-N 1 1 323.353 -1.993 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200093 664571941 /nfs/dbraw/zinc/57/19/41/664571941.db2.gz RFSSZRMARAQYHC-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200093 664571942 /nfs/dbraw/zinc/57/19/42/664571942.db2.gz RFSSZRMARAQYHC-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200704 664572043 /nfs/dbraw/zinc/57/20/43/664572043.db2.gz YMQBAYGTVFDRIN-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200704 664572045 /nfs/dbraw/zinc/57/20/45/664572045.db2.gz YMQBAYGTVFDRIN-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016217008 664572274 /nfs/dbraw/zinc/57/22/74/664572274.db2.gz NFRKPIROSQBYFU-RYUDHWBXSA-N 1 1 304.350 -1.073 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016217008 664572275 /nfs/dbraw/zinc/57/22/75/664572275.db2.gz NFRKPIROSQBYFU-RYUDHWBXSA-N 1 1 304.350 -1.073 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210305 664572289 /nfs/dbraw/zinc/57/22/89/664572289.db2.gz XOZSEISVLHYIBM-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210305 664572290 /nfs/dbraw/zinc/57/22/90/664572290.db2.gz XOZSEISVLHYIBM-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250810 664572717 /nfs/dbraw/zinc/57/27/17/664572717.db2.gz QXESPRPRPQHYHN-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250810 664572719 /nfs/dbraw/zinc/57/27/19/664572719.db2.gz QXESPRPRPQHYHN-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1[nH]c(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001016257560 664572989 /nfs/dbraw/zinc/57/29/89/664572989.db2.gz XXCSLCKQKCIZPQ-MNOVXSKESA-N 1 1 308.386 -1.249 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001016257558 664572996 /nfs/dbraw/zinc/57/29/96/664572996.db2.gz XXCSLCKQKCIZPQ-GHMZBOCLSA-N 1 1 308.386 -1.249 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250815 664573018 /nfs/dbraw/zinc/57/30/18/664573018.db2.gz QXESPRPRPQHYHN-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250815 664573019 /nfs/dbraw/zinc/57/30/19/664573019.db2.gz QXESPRPRPQHYHN-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC(NC(=O)Cn2cnnn2)C1 ZINC001016325894 664574073 /nfs/dbraw/zinc/57/40/73/664574073.db2.gz OYCVPCHFCJUWPA-HTAVTVPLSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001016341941 664574105 /nfs/dbraw/zinc/57/41/05/664574105.db2.gz WMLAPMFAIDZKTB-SNVBAGLBSA-N 1 1 310.358 -1.837 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016396534 664574706 /nfs/dbraw/zinc/57/47/06/664574706.db2.gz DKKGPROUFKTWQH-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016396534 664574707 /nfs/dbraw/zinc/57/47/07/664574707.db2.gz DKKGPROUFKTWQH-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016412140 664574771 /nfs/dbraw/zinc/57/47/71/664574771.db2.gz VTTWGFOAUCFLQN-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016412140 664574772 /nfs/dbraw/zinc/57/47/72/664574772.db2.gz VTTWGFOAUCFLQN-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCNC1=O ZINC001017130970 664580503 /nfs/dbraw/zinc/58/05/03/664580503.db2.gz XHLGUWBTLXQASH-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001017184093 664580776 /nfs/dbraw/zinc/58/07/76/664580776.db2.gz GXRIUVIZUWLZAG-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001017626664 664582350 /nfs/dbraw/zinc/58/23/50/664582350.db2.gz MJSPQENUJLJTCF-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001018069756 664584417 /nfs/dbraw/zinc/58/44/17/664584417.db2.gz VVSRCAZFMQTMIU-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001018069756 664584420 /nfs/dbraw/zinc/58/44/20/664584420.db2.gz VVSRCAZFMQTMIU-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O ZINC001018168967 664584825 /nfs/dbraw/zinc/58/48/25/664584825.db2.gz GDUHEFPWTZMZHH-SDDRHHMPSA-N 1 1 324.381 -1.064 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302731 664585747 /nfs/dbraw/zinc/58/57/47/664585747.db2.gz HAHXYOVCUTXPOB-PHIMTYICSA-N 1 1 322.369 -1.301 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302731 664585749 /nfs/dbraw/zinc/58/57/49/664585749.db2.gz HAHXYOVCUTXPOB-PHIMTYICSA-N 1 1 322.369 -1.301 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001018459356 664587174 /nfs/dbraw/zinc/58/71/74/664587174.db2.gz FYRTVTSVSAAXMG-NSHDSACASA-N 1 1 303.326 -1.152 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018479170 664587453 /nfs/dbraw/zinc/58/74/53/664587453.db2.gz BODUJZHOUPBJJS-JTQLQIEISA-N 1 1 320.361 -1.540 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1)c1nncn1C ZINC001018479488 664587501 /nfs/dbraw/zinc/58/75/01/664587501.db2.gz FDOWQMXBCLBUPZ-UWVGGRQHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC001018607639 664587896 /nfs/dbraw/zinc/58/78/96/664587896.db2.gz XYXVKANIVZHPHI-NSHDSACASA-N 1 1 304.358 -1.123 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001018733186 664589576 /nfs/dbraw/zinc/58/95/76/664589576.db2.gz PATNNHSHPTYBDB-RYUDHWBXSA-N 1 1 323.401 -1.206 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001018742847 664589638 /nfs/dbraw/zinc/58/96/38/664589638.db2.gz CVPWLZHCIYWJJH-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001018769344 664589892 /nfs/dbraw/zinc/58/98/92/664589892.db2.gz KRPRNHCFQYZGDF-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnnn2C)C1)c1nnnn1C ZINC001018795469 664589952 /nfs/dbraw/zinc/58/99/52/664589952.db2.gz XQGFWYOKNZAYRZ-BDAKNGLRSA-N 1 1 305.346 -1.096 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC001018774937 664589994 /nfs/dbraw/zinc/58/99/94/664589994.db2.gz RXHQFNDBMVJIEL-QMMMGPOBSA-N 1 1 307.314 -1.494 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001018775966 664590073 /nfs/dbraw/zinc/59/00/73/664590073.db2.gz LWEQQIJJYMMBOG-NSHDSACASA-N 1 1 302.342 -1.067 20 0 DAADMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n1C ZINC001018850547 664590761 /nfs/dbraw/zinc/59/07/61/664590761.db2.gz XSBGBOYJILZLEV-JTQLQIEISA-N 1 1 319.373 -1.245 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001018850699 664590864 /nfs/dbraw/zinc/59/08/64/664590864.db2.gz CBOBCZLWHWHOQC-BDAKNGLRSA-N 1 1 306.334 -1.852 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001018850306 664591036 /nfs/dbraw/zinc/59/10/36/664591036.db2.gz ROTPPHZLAUDCTL-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018853108 664591063 /nfs/dbraw/zinc/59/10/63/664591063.db2.gz RCLSDNWTUNJEIX-JTQLQIEISA-N 1 1 320.361 -1.540 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1)c1nncn1C ZINC001018851895 664591070 /nfs/dbraw/zinc/59/10/70/664591070.db2.gz XAVCWPRTENPULI-UWVGGRQHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018905107 664591793 /nfs/dbraw/zinc/59/17/93/664591793.db2.gz SKBCLSLBBQNQGB-JTQLQIEISA-N 1 1 313.383 -1.450 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)nn1 ZINC001018934628 664591873 /nfs/dbraw/zinc/59/18/73/664591873.db2.gz VBXJOLWUJLFWKY-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018915578 664591906 /nfs/dbraw/zinc/59/19/06/664591906.db2.gz HUGKLJSPHDQOSL-JTQLQIEISA-N 1 1 317.357 -1.010 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974445 664592052 /nfs/dbraw/zinc/59/20/52/664592052.db2.gz JDLPYTWUXSIGCT-NSHDSACASA-N 1 1 323.353 -1.073 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001018983448 664592156 /nfs/dbraw/zinc/59/21/56/664592156.db2.gz BTCXMJWAXSVFEH-CBAPKCEASA-N 1 1 324.366 -1.173 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)nn1 ZINC001018983494 664592163 /nfs/dbraw/zinc/59/21/63/664592163.db2.gz CPWIDIJNTRZOMC-WPRPVWTQSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001018958937 664592174 /nfs/dbraw/zinc/59/21/74/664592174.db2.gz DUZZFJKSGCENNW-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CCOCC3=O)C2)[nH]1 ZINC001018974940 664592208 /nfs/dbraw/zinc/59/22/08/664592208.db2.gz SRVCVZSZEQQPOV-NSHDSACASA-N 1 1 322.369 -1.338 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001018973801 664592223 /nfs/dbraw/zinc/59/22/23/664592223.db2.gz LQACNSUCKGFINY-VIFPVBQESA-N 1 1 318.341 -1.197 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018974877 664592306 /nfs/dbraw/zinc/59/23/06/664592306.db2.gz RDKYXMRDUDEMAU-JTQLQIEISA-N 1 1 309.326 -1.381 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001018956455 664592431 /nfs/dbraw/zinc/59/24/31/664592431.db2.gz BSLBXQKTYGFSIL-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001019047903 664593198 /nfs/dbraw/zinc/59/31/98/664593198.db2.gz ODAVXKJYKALPND-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001019008328 664593298 /nfs/dbraw/zinc/59/32/98/664593298.db2.gz FGQLYQKLQLBSEI-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)O1 ZINC001019031071 664593581 /nfs/dbraw/zinc/59/35/81/664593581.db2.gz FVXDHRGAFLETHV-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)O1 ZINC001019031071 664593585 /nfs/dbraw/zinc/59/35/85/664593585.db2.gz FVXDHRGAFLETHV-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)O1 ZINC001019031127 664593666 /nfs/dbraw/zinc/59/36/66/664593666.db2.gz FXNYWDJWYNHJEJ-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)O1 ZINC001019031127 664593667 /nfs/dbraw/zinc/59/36/67/664593667.db2.gz FXNYWDJWYNHJEJ-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019041878 664593680 /nfs/dbraw/zinc/59/36/80/664593680.db2.gz ORLFFWLRZVEUSR-UHFFFAOYSA-N 1 1 305.338 -1.262 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001019063510 664593952 /nfs/dbraw/zinc/59/39/52/664593952.db2.gz VYMPBLTXOHIZAQ-JTQLQIEISA-N 1 1 320.357 -1.899 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001019053905 664594122 /nfs/dbraw/zinc/59/41/22/664594122.db2.gz NWZNPAXHCLMBBT-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001019079969 664594621 /nfs/dbraw/zinc/59/46/21/664594621.db2.gz QNDREUZPTDKSJJ-VIFPVBQESA-N 1 1 318.341 -1.069 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001019166713 664594951 /nfs/dbraw/zinc/59/49/51/664594951.db2.gz OVVIYBYMGUBVSI-VIFPVBQESA-N 1 1 318.341 -1.692 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001019166944 664595092 /nfs/dbraw/zinc/59/50/92/664595092.db2.gz AWHROWCHQRGKOF-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)O1 ZINC001019150330 664595110 /nfs/dbraw/zinc/59/51/10/664595110.db2.gz DWRPUIAKRSUPJM-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)O1 ZINC001019150330 664595112 /nfs/dbraw/zinc/59/51/12/664595112.db2.gz DWRPUIAKRSUPJM-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001019188232 664595408 /nfs/dbraw/zinc/59/54/08/664595408.db2.gz FOVZZMLNJGYUKI-VIFPVBQESA-N 1 1 319.325 -1.094 20 0 DAADMO NC(=O)C(=O)N1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001019192807 664595905 /nfs/dbraw/zinc/59/59/05/664595905.db2.gz QRNAVLNPMWLRKJ-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019196000 664595964 /nfs/dbraw/zinc/59/59/64/664595964.db2.gz DGSFGGBSCBZFPP-UHFFFAOYSA-N 1 1 305.338 -1.262 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233075 664596127 /nfs/dbraw/zinc/59/61/27/664596127.db2.gz CGLJMUANQOFEBH-NSHDSACASA-N 1 1 322.369 -1.500 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019234598 664596593 /nfs/dbraw/zinc/59/65/93/664596593.db2.gz MOCKEAMJNOEXFU-GXSJLCMTSA-N 1 1 319.369 -1.165 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233501 664596758 /nfs/dbraw/zinc/59/67/58/664596758.db2.gz WJOBCWLHBAFRBA-NSHDSACASA-N 1 1 321.385 -2.063 20 0 DAADMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1C ZINC001019258557 664596920 /nfs/dbraw/zinc/59/69/20/664596920.db2.gz GLVLXWAPSCYOQW-VIFPVBQESA-N 1 1 319.373 -1.095 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001019262028 664596936 /nfs/dbraw/zinc/59/69/36/664596936.db2.gz HSNVIROTJHGVEN-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001019261958 664596979 /nfs/dbraw/zinc/59/69/79/664596979.db2.gz FKSHDPOBVBHWAC-UWVGGRQHSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001019262027 664597231 /nfs/dbraw/zinc/59/72/31/664597231.db2.gz HSNVIROTJHGVEN-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001019262065 664597236 /nfs/dbraw/zinc/59/72/36/664597236.db2.gz IUJRUTVTUVZCFO-CMPLNLGQSA-N 1 1 306.370 -1.016 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001019301801 664597577 /nfs/dbraw/zinc/59/75/77/664597577.db2.gz CYZGTZGILWPLIK-BDAKNGLRSA-N 1 1 318.341 -1.141 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019357819 664599747 /nfs/dbraw/zinc/59/97/47/664599747.db2.gz MDNRKCAVOBYXCL-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019357819 664599749 /nfs/dbraw/zinc/59/97/49/664599749.db2.gz MDNRKCAVOBYXCL-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019357935 664599788 /nfs/dbraw/zinc/59/97/88/664599788.db2.gz OCQVPIFARHIKMY-UHFFFAOYSA-N 1 1 305.338 -1.262 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)CC[N@H+]1C ZINC001019359304 664599967 /nfs/dbraw/zinc/59/99/67/664599967.db2.gz SBCFKZLKIOSKCB-GHMZBOCLSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444018 664600940 /nfs/dbraw/zinc/60/09/40/664600940.db2.gz DVCZHABIUGBPAQ-IUCAKERBSA-N 1 1 321.341 -1.896 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019443142 664601012 /nfs/dbraw/zinc/60/10/12/664601012.db2.gz HTUZAPJPGMQWIM-WDEREUQCSA-N 1 1 308.382 -1.270 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019508636 664601616 /nfs/dbraw/zinc/60/16/16/664601616.db2.gz PYSSTMTUOQPSHE-VIFPVBQESA-N 1 1 307.310 -1.187 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001019508655 664601648 /nfs/dbraw/zinc/60/16/48/664601648.db2.gz QUZNBEUEHNANQZ-IUCAKERBSA-N 1 1 305.346 -1.096 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527487 664601662 /nfs/dbraw/zinc/60/16/62/664601662.db2.gz FKEFFMKSMRRBBB-VIFPVBQESA-N 1 1 322.325 -1.380 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001019507953 664601857 /nfs/dbraw/zinc/60/18/57/664601857.db2.gz YBOILZSLRBDAAJ-VIFPVBQESA-N 1 1 321.341 -2.047 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001019507699 664601866 /nfs/dbraw/zinc/60/18/66/664601866.db2.gz JMODHNDFHBLWHY-JTQLQIEISA-N 1 1 320.353 -1.442 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019527814 664602328 /nfs/dbraw/zinc/60/23/28/664602328.db2.gz WFRHUAZBZNABPG-JTQLQIEISA-N 1 1 318.337 -1.281 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019589479 664603083 /nfs/dbraw/zinc/60/30/83/664603083.db2.gz WICKEQDGHZCTDR-VIFPVBQESA-N 1 1 306.330 -1.165 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001019748831 664603878 /nfs/dbraw/zinc/60/38/78/664603878.db2.gz HLSIQNAJLWCAIT-VIFPVBQESA-N 1 1 322.325 -1.346 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019748314 664604005 /nfs/dbraw/zinc/60/40/05/664604005.db2.gz WBIRDULWGTVRFA-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC001019747697 664604029 /nfs/dbraw/zinc/60/40/29/664604029.db2.gz GHRCMTLNJVXZMQ-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001019719145 664604091 /nfs/dbraw/zinc/60/40/91/664604091.db2.gz NVKOSGCEXQCVCE-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)c(=O)n1C ZINC001019722772 664604194 /nfs/dbraw/zinc/60/41/94/664604194.db2.gz QQSNWMBBNZWGLY-JTQLQIEISA-N 1 1 321.341 -1.336 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001019756235 664604602 /nfs/dbraw/zinc/60/46/02/664604602.db2.gz KGEDDPAJDQRWPD-NSHDSACASA-N 1 1 317.353 -1.238 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C2)nn1 ZINC001019837261 664605388 /nfs/dbraw/zinc/60/53/88/664605388.db2.gz KSIZRUMVQZAHAX-JTQLQIEISA-N 1 1 319.369 -1.143 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)[nH]1 ZINC001019895267 664606025 /nfs/dbraw/zinc/60/60/25/664606025.db2.gz XFFJXTPKRJKFPW-ZJUUUORDSA-N 1 1 320.353 -1.144 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892784 664606081 /nfs/dbraw/zinc/60/60/81/664606081.db2.gz YHMRXEYUPBEJJA-UWVGGRQHSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892622 664606085 /nfs/dbraw/zinc/60/60/85/664606085.db2.gz RGYDPSCDVZAEFL-BDAKNGLRSA-N 1 1 321.341 -2.047 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC001019892590 664606182 /nfs/dbraw/zinc/60/61/82/664606182.db2.gz QBDFOIIFVYOJHT-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1cnnn1 ZINC001020042948 664607731 /nfs/dbraw/zinc/60/77/31/664607731.db2.gz WSMVGTXTSBVCBQ-SRVKXCTJSA-N 1 1 321.385 -1.270 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020023519 664607894 /nfs/dbraw/zinc/60/78/94/664607894.db2.gz UWHFTGAAMWCWLY-ZYUZMQFOSA-N 1 1 308.342 -1.244 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001019977126 664607921 /nfs/dbraw/zinc/60/79/21/664607921.db2.gz CSZNCKPXPCQHFT-IWSPIJDZSA-N 1 1 306.334 -1.805 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001020067975 664608380 /nfs/dbraw/zinc/60/83/80/664608380.db2.gz DZIKEGZOTOYIDU-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC001020094676 664608674 /nfs/dbraw/zinc/60/86/74/664608674.db2.gz RVMPEDIXZWHEMW-ZKCHVHJHSA-N 1 1 305.346 -1.424 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@H]3COCCN3C)C2)n1 ZINC001020089801 664608735 /nfs/dbraw/zinc/60/87/35/664608735.db2.gz VVAMTQGAYPRZKM-NQBHXWOUSA-N 1 1 308.386 -1.118 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCN2C)C1)c1nnnn1C ZINC001020089616 664608891 /nfs/dbraw/zinc/60/88/91/664608891.db2.gz RAWDMRDUGKDGHE-FIQHERPVSA-N 1 1 323.401 -1.162 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001020107281 664608918 /nfs/dbraw/zinc/60/89/18/664608918.db2.gz RLQTUBKIMQSKEW-UWJYBYFXSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020110192 664609040 /nfs/dbraw/zinc/60/90/40/664609040.db2.gz IUQNYRQLASWLFT-MGCOHNPYSA-N 1 1 304.358 -1.077 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1)c1nnnn1C ZINC001020118225 664609271 /nfs/dbraw/zinc/60/92/71/664609271.db2.gz GSMVSGUFTJKKBI-IWSPIJDZSA-N 1 1 305.346 -1.050 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1COC(=O)N1 ZINC001020121686 664609303 /nfs/dbraw/zinc/60/93/03/664609303.db2.gz SIKPDAXAKNGFSY-NRPADANISA-N 1 1 321.341 -1.147 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)c1nnnn1C ZINC001020121116 664609310 /nfs/dbraw/zinc/60/93/10/664609310.db2.gz BAHJULWICBDIKT-JBDRJPRFSA-N 1 1 309.330 -1.384 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001020133366 664609327 /nfs/dbraw/zinc/60/93/27/664609327.db2.gz QTTXELBNFYFFDG-KYZUINATSA-N 1 1 305.346 -1.384 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001020126159 664609396 /nfs/dbraw/zinc/60/93/96/664609396.db2.gz DEPHYPMZUMISQK-IWSPIJDZSA-N 1 1 305.346 -1.050 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020158984 664610104 /nfs/dbraw/zinc/61/01/04/664610104.db2.gz FSPMCIBEBJVWOV-MGCOHNPYSA-N 1 1 320.361 -1.493 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)C1CS(=O)(=O)C1 ZINC001020194245 664610139 /nfs/dbraw/zinc/61/01/39/664610139.db2.gz GZBZKYSZTWILFZ-KYZUINATSA-N 1 1 300.340 -1.149 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001020210360 664610182 /nfs/dbraw/zinc/61/01/82/664610182.db2.gz AMTQYWMSVYVAAB-GWOFURMSSA-N 1 1 321.385 -1.014 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001020210363 664610231 /nfs/dbraw/zinc/61/02/31/664610231.db2.gz AMTQYWMSVYVAAB-VLEAKVRGSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001020258557 664610934 /nfs/dbraw/zinc/61/09/34/664610934.db2.gz OTHYTLUAQSJSJP-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001020243510 664611118 /nfs/dbraw/zinc/61/11/18/664611118.db2.gz KZGJMRVCKIVJME-KYZUINATSA-N 1 1 318.341 -1.150 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001020250029 664611124 /nfs/dbraw/zinc/61/11/24/664611124.db2.gz MZEXNJWMJWFPEE-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001020288717 664611191 /nfs/dbraw/zinc/61/11/91/664611191.db2.gz HVWGKLCJHIBXGA-GPCCPHFNSA-N 1 1 321.385 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020305094 664611351 /nfs/dbraw/zinc/61/13/51/664611351.db2.gz LWLGRBWXMFLERQ-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020305094 664611352 /nfs/dbraw/zinc/61/13/52/664611352.db2.gz LWLGRBWXMFLERQ-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)CCO1 ZINC001020343158 664611676 /nfs/dbraw/zinc/61/16/76/664611676.db2.gz JDLMJOHUTIACFP-GMTAPVOTSA-N 1 1 322.369 -1.098 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001020342801 664611851 /nfs/dbraw/zinc/61/18/51/664611851.db2.gz VOTGXZJMIHPRON-MGCOHNPYSA-N 1 1 308.342 -1.486 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001020380657 664612460 /nfs/dbraw/zinc/61/24/60/664612460.db2.gz MFHDXJUJYUIRAT-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCCNC1=O ZINC001038377779 664612645 /nfs/dbraw/zinc/61/26/45/664612645.db2.gz ONGLPAVSZTYNDC-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCCNC1=O ZINC001038377779 664612649 /nfs/dbraw/zinc/61/26/49/664612649.db2.gz ONGLPAVSZTYNDC-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCCNC1=O ZINC001038377785 664612738 /nfs/dbraw/zinc/61/27/38/664612738.db2.gz ONGLPAVSZTYNDC-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCCNC1=O ZINC001038377785 664612744 /nfs/dbraw/zinc/61/27/44/664612744.db2.gz ONGLPAVSZTYNDC-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533950 664614074 /nfs/dbraw/zinc/61/40/74/664614074.db2.gz FGXAGFQQQOKEHG-WULFKBJJSA-N 1 1 322.409 -1.214 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](C)O)nn1-c1nc[nH]n1 ZINC001038575771 664614678 /nfs/dbraw/zinc/61/46/78/664614678.db2.gz NNFZEOPBDIGKOQ-SCZZXKLOSA-N 1 1 320.357 -1.121 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](C)O)nn1-c1nc[nH]n1 ZINC001038575771 664614680 /nfs/dbraw/zinc/61/46/80/664614680.db2.gz NNFZEOPBDIGKOQ-SCZZXKLOSA-N 1 1 320.357 -1.121 20 0 DAADMO Cn1c(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)c[nH]c1=O ZINC001038600527 664615171 /nfs/dbraw/zinc/61/51/71/664615171.db2.gz UQQPQBGPATXFKE-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1c(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)c[nH]c1=O ZINC001038600527 664615173 /nfs/dbraw/zinc/61/51/73/664615173.db2.gz UQQPQBGPATXFKE-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CNC(=O)N1 ZINC001038649601 664615346 /nfs/dbraw/zinc/61/53/46/664615346.db2.gz ICLXJAOMFWPETL-DTWKUNHWSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CNC(=O)N1 ZINC001038649601 664615348 /nfs/dbraw/zinc/61/53/48/664615348.db2.gz ICLXJAOMFWPETL-DTWKUNHWSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001038653624 664615759 /nfs/dbraw/zinc/61/57/59/664615759.db2.gz YJJNTZPSTRGZSL-UWVGGRQHSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001038653624 664615761 /nfs/dbraw/zinc/61/57/61/664615761.db2.gz YJJNTZPSTRGZSL-UWVGGRQHSA-N 1 1 310.358 -2.117 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001038654902 664615993 /nfs/dbraw/zinc/61/59/93/664615993.db2.gz RKLIFFCEUUFCPV-VXGBXAGGSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001038654902 664615997 /nfs/dbraw/zinc/61/59/97/664615997.db2.gz RKLIFFCEUUFCPV-VXGBXAGGSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001038654900 664616220 /nfs/dbraw/zinc/61/62/20/664616220.db2.gz RKLIFFCEUUFCPV-NWDGAFQWSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001038654900 664616221 /nfs/dbraw/zinc/61/62/21/664616221.db2.gz RKLIFFCEUUFCPV-NWDGAFQWSA-N 1 1 321.385 -1.233 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001038713625 664616675 /nfs/dbraw/zinc/61/66/75/664616675.db2.gz YHJQDQIEKFIZMH-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001038713625 664616677 /nfs/dbraw/zinc/61/66/77/664616677.db2.gz YHJQDQIEKFIZMH-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001038712522 664616706 /nfs/dbraw/zinc/61/67/06/664616706.db2.gz NOBHCJAWZFPQRR-AEJSXWLSSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001038712522 664616708 /nfs/dbraw/zinc/61/67/08/664616708.db2.gz NOBHCJAWZFPQRR-AEJSXWLSSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001038712027 664616713 /nfs/dbraw/zinc/61/67/13/664616713.db2.gz HAQBQKIMSMDKPL-MXWKQRLJSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001038712027 664616715 /nfs/dbraw/zinc/61/67/15/664616715.db2.gz HAQBQKIMSMDKPL-MXWKQRLJSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038770763 664617191 /nfs/dbraw/zinc/61/71/91/664617191.db2.gz VYOJMQGYGIMILQ-UWVGGRQHSA-N 1 1 310.354 -1.731 20 0 DAADMO COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001038802662 664617215 /nfs/dbraw/zinc/61/72/15/664617215.db2.gz VHIIZWDSFUHELZ-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001038802662 664617216 /nfs/dbraw/zinc/61/72/16/664617216.db2.gz VHIIZWDSFUHELZ-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)C1CC(=O)NC(=O)C1 ZINC001038817422 664617568 /nfs/dbraw/zinc/61/75/68/664617568.db2.gz LQFGRFFNCQPDLL-NSHDSACASA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)C1CC(=O)NC(=O)C1 ZINC001038817422 664617570 /nfs/dbraw/zinc/61/75/70/664617570.db2.gz LQFGRFFNCQPDLL-NSHDSACASA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)c1cnon1 ZINC001038840178 664617762 /nfs/dbraw/zinc/61/77/62/664617762.db2.gz QRVQVCVDBODIBT-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCCN1C(=O)CNC1=O)c1cnon1 ZINC001038840178 664617765 /nfs/dbraw/zinc/61/77/65/664617765.db2.gz QRVQVCVDBODIBT-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001039004884 664618158 /nfs/dbraw/zinc/61/81/58/664618158.db2.gz ADNYEGHLABLRTN-WDEREUQCSA-N 1 1 308.386 -1.249 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001039004881 664618332 /nfs/dbraw/zinc/61/83/32/664618332.db2.gz ADNYEGHLABLRTN-GHMZBOCLSA-N 1 1 308.386 -1.249 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)C1 ZINC001039049312 664618872 /nfs/dbraw/zinc/61/88/72/664618872.db2.gz VUTNDLAVQCJXIM-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)C1 ZINC001039049312 664618873 /nfs/dbraw/zinc/61/88/73/664618873.db2.gz VUTNDLAVQCJXIM-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)C1 ZINC001039049311 664618886 /nfs/dbraw/zinc/61/88/86/664618886.db2.gz VUTNDLAVQCJXIM-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)C1 ZINC001039049311 664618887 /nfs/dbraw/zinc/61/88/87/664618887.db2.gz VUTNDLAVQCJXIM-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374408 664619445 /nfs/dbraw/zinc/61/94/45/664619445.db2.gz UPOIHUJBJUMIOZ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374408 664619446 /nfs/dbraw/zinc/61/94/46/664619446.db2.gz UPOIHUJBJUMIOZ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001058947981 677689795 /nfs/dbraw/zinc/68/97/95/677689795.db2.gz FPLGFRKIMYKEAY-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083330266 677690480 /nfs/dbraw/zinc/69/04/80/677690480.db2.gz NZVBNWYIXUPPBW-UTUOFQBUSA-N 1 1 310.358 -1.739 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN(c2cnccn2)CC1 ZINC000040861492 677722625 /nfs/dbraw/zinc/72/26/25/677722625.db2.gz BXOAQNZEPGNORP-UHFFFAOYSA-N 1 1 312.399 -1.251 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)n1 ZINC001083473529 677724304 /nfs/dbraw/zinc/72/43/04/677724304.db2.gz HHKNDXOOSVPFKQ-ZJUUUORDSA-N 1 1 308.342 -2.052 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473508 677724353 /nfs/dbraw/zinc/72/43/53/677724353.db2.gz GHBAKPSOHIHLMC-MXWKQRLJSA-N 1 1 324.385 -1.416 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)cc1=O ZINC001076926276 677770879 /nfs/dbraw/zinc/77/08/79/677770879.db2.gz UYVXIMNTOJUTHE-GHMZBOCLSA-N 1 1 321.337 -1.350 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)cc1=O ZINC001076926276 677770880 /nfs/dbraw/zinc/77/08/80/677770880.db2.gz UYVXIMNTOJUTHE-GHMZBOCLSA-N 1 1 321.337 -1.350 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cncc(-n2ccnn2)c1 ZINC001083671650 677822551 /nfs/dbraw/zinc/82/25/51/677822551.db2.gz VNLCZHYFYULROC-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cncc(-n2ccnn2)c1 ZINC001083671650 677822553 /nfs/dbraw/zinc/82/25/53/677822553.db2.gz VNLCZHYFYULROC-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCN1c1ncccn1 ZINC000913178534 677822661 /nfs/dbraw/zinc/82/26/61/677822661.db2.gz HQDXKSFCMJQHRO-IUODEOHRSA-N 1 1 321.381 -1.088 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1c1ncccn1 ZINC000913178536 677822680 /nfs/dbraw/zinc/82/26/80/677822680.db2.gz HQDXKSFCMJQHRO-WFASDCNBSA-N 1 1 321.381 -1.088 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001083569722 677793754 /nfs/dbraw/zinc/79/37/54/677793754.db2.gz JLKMKWVPMMMVJA-OLZOCXBDSA-N 1 1 322.365 -1.733 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccnc(N2CCCC2)n1 ZINC001077256918 677793881 /nfs/dbraw/zinc/79/38/81/677793881.db2.gz JXRAQAPXPOKWEO-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc(N2CCCC2)n1 ZINC001077256918 677793883 /nfs/dbraw/zinc/79/38/83/677793883.db2.gz JXRAQAPXPOKWEO-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCn2cncc2C1 ZINC001077251834 677793992 /nfs/dbraw/zinc/79/39/92/677793992.db2.gz RDZMIGQESDHFBH-MRVWCRGKSA-N 1 1 308.382 -1.011 20 0 DAADMO CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182665 677823264 /nfs/dbraw/zinc/82/32/64/677823264.db2.gz BKQKBMYQPFGUGT-BZPMIXESSA-N 1 1 302.371 -1.105 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077338482 677800276 /nfs/dbraw/zinc/80/02/76/677800276.db2.gz PFQPHZVGTZICNJ-GMTAPVOTSA-N 1 1 300.359 -2.069 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077336683 677800550 /nfs/dbraw/zinc/80/05/50/677800550.db2.gz HOZRSUJULJMVNO-QJPTWQEYSA-N 1 1 314.386 -1.679 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077336682 677800828 /nfs/dbraw/zinc/80/08/28/677800828.db2.gz HOZRSUJULJMVNO-IJLUTSLNSA-N 1 1 314.386 -1.679 20 0 DAADMO COCCn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(C)n1 ZINC000913183154 677823363 /nfs/dbraw/zinc/82/33/63/677823363.db2.gz NOXNLMZDVNETHD-AWEZNQCLSA-N 1 1 312.370 -1.081 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC000912387856 677817948 /nfs/dbraw/zinc/81/79/48/677817948.db2.gz CKRDXRJULYFNTN-HNNXBMFYSA-N 1 1 315.414 -1.236 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CNC(=O)C1 ZINC001083665142 677820572 /nfs/dbraw/zinc/82/05/72/677820572.db2.gz QYMFVAZXBCSUMJ-SUNKGSAMSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CNC(=O)C1 ZINC001083665142 677820576 /nfs/dbraw/zinc/82/05/76/677820576.db2.gz QYMFVAZXBCSUMJ-SUNKGSAMSA-N 1 1 322.369 -2.034 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@@H](O)C1 ZINC001083793388 677884016 /nfs/dbraw/zinc/88/40/16/677884016.db2.gz OVAQDYHALKSNIW-TUAOUCFPSA-N 1 1 324.385 -1.567 20 0 DAADMO Cc1nn2cccnc2c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078190074 677918218 /nfs/dbraw/zinc/91/82/18/677918218.db2.gz KPEHBOPIJMYZKZ-GHMZBOCLSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nn2cccnc2c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078190074 677918222 /nfs/dbraw/zinc/91/82/22/677918222.db2.gz KPEHBOPIJMYZKZ-GHMZBOCLSA-N 1 1 305.338 -1.195 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040546154 677932688 /nfs/dbraw/zinc/93/26/88/677932688.db2.gz DUGXDAGOHUPWOF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546154 677932692 /nfs/dbraw/zinc/93/26/92/677932692.db2.gz DUGXDAGOHUPWOF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546154 677932696 /nfs/dbraw/zinc/93/26/96/677932696.db2.gz DUGXDAGOHUPWOF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546154 677932700 /nfs/dbraw/zinc/93/27/00/677932700.db2.gz DUGXDAGOHUPWOF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546154 677932704 /nfs/dbraw/zinc/93/27/04/677932704.db2.gz DUGXDAGOHUPWOF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001044949279 677961163 /nfs/dbraw/zinc/96/11/63/677961163.db2.gz VGOSUAFKGHQVEN-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061837457 677967314 /nfs/dbraw/zinc/96/73/14/677967314.db2.gz UFBMAZDQAXVKDA-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)C1 ZINC001063240233 677987133 /nfs/dbraw/zinc/98/71/33/677987133.db2.gz LTLZYEVJQQOMIJ-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCC2)C1 ZINC001063240233 677987136 /nfs/dbraw/zinc/98/71/36/677987136.db2.gz LTLZYEVJQQOMIJ-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771807 678026510 /nfs/dbraw/zinc/02/65/10/678026510.db2.gz UPMMBDJQADOXEZ-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061559 678030474 /nfs/dbraw/zinc/03/04/74/678030474.db2.gz ZAOVWRJRMOVADE-NXEZZACHSA-N 1 1 323.353 -1.869 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061559 678030477 /nfs/dbraw/zinc/03/04/77/678030477.db2.gz ZAOVWRJRMOVADE-NXEZZACHSA-N 1 1 323.353 -1.869 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061493 678030573 /nfs/dbraw/zinc/03/05/73/678030573.db2.gz WNHPJNLCKBIYGQ-OUAUKWLOSA-N 1 1 310.354 -1.234 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(C)=O ZINC001081239884 678060117 /nfs/dbraw/zinc/06/01/17/678060117.db2.gz DXHRAAOKUYGRLG-IJLUTSLNSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(C)=O ZINC001081239884 678060120 /nfs/dbraw/zinc/06/01/20/678060120.db2.gz DXHRAAOKUYGRLG-IJLUTSLNSA-N 1 1 313.354 -1.668 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081498968 678080487 /nfs/dbraw/zinc/08/04/87/678080487.db2.gz HCRHFESOPKNZLQ-MNOVXSKESA-N 1 1 322.369 -1.550 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cccc(C)c1=O ZINC001081659925 678093057 /nfs/dbraw/zinc/09/30/57/678093057.db2.gz NBFJBGQQHDTMIZ-CHWSQXEVSA-N 1 1 309.366 -1.036 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001081500560 678080980 /nfs/dbraw/zinc/08/09/80/678080980.db2.gz USPKKHICEJUSOB-NWDGAFQWSA-N 1 1 310.354 -1.227 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589210 678086306 /nfs/dbraw/zinc/08/63/06/678086306.db2.gz BSTRUKLISGLKTP-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589210 678086308 /nfs/dbraw/zinc/08/63/08/678086308.db2.gz BSTRUKLISGLKTP-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589210 678086309 /nfs/dbraw/zinc/08/63/09/678086309.db2.gz BSTRUKLISGLKTP-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001081589211 678086596 /nfs/dbraw/zinc/08/65/96/678086596.db2.gz BSTRUKLISGLKTP-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081589211 678086599 /nfs/dbraw/zinc/08/65/99/678086599.db2.gz BSTRUKLISGLKTP-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081589211 678086600 /nfs/dbraw/zinc/08/66/00/678086600.db2.gz BSTRUKLISGLKTP-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001081767023 678105671 /nfs/dbraw/zinc/10/56/71/678105671.db2.gz OGICAHLNKZHJKT-VXGBXAGGSA-N 1 1 324.381 -1.229 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](OC)C1 ZINC001081766907 678105702 /nfs/dbraw/zinc/10/57/02/678105702.db2.gz JFXXFYOXSAAGPA-GHMZBOCLSA-N 1 1 310.354 -1.618 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C(N)=O ZINC001082089253 678111468 /nfs/dbraw/zinc/11/14/68/678111468.db2.gz SVTIZLDDBZHWDD-HBNTYKKESA-N 1 1 312.370 -1.797 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001082374464 678116435 /nfs/dbraw/zinc/11/64/35/678116435.db2.gz DJJPFLHZVQGLLV-GMTAPVOTSA-N 1 1 305.400 -1.097 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374775 678116473 /nfs/dbraw/zinc/11/64/73/678116473.db2.gz PHKMNXDXDCDEOO-OPRDCNLKSA-N 1 1 307.372 -2.514 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082576045 678118571 /nfs/dbraw/zinc/11/85/71/678118571.db2.gz NBSHJYNUMAZSPV-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552694 678132370 /nfs/dbraw/zinc/13/23/70/678132370.db2.gz MDOOBENXBGTVJT-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001065575054 678133851 /nfs/dbraw/zinc/13/38/51/678133851.db2.gz SGAAFFFMIZZBPF-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740957 678163070 /nfs/dbraw/zinc/16/30/70/678163070.db2.gz RBDKGFQVHVYEJA-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001072741915 678163130 /nfs/dbraw/zinc/16/31/30/678163130.db2.gz KLSAFEWLLMHCJH-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(O)(CNC(=O)C(N)=O)CC2)C1 ZINC001074593635 678198309 /nfs/dbraw/zinc/19/83/09/678198309.db2.gz YLAGSGCUYHRRPB-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1COCCN1C ZINC001074612643 678198336 /nfs/dbraw/zinc/19/83/36/678198336.db2.gz GLJNDZRBSQUXDW-SRVKXCTJSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001074700509 678200964 /nfs/dbraw/zinc/20/09/64/678200964.db2.gz QTDOIEAUZBIXMP-GARJFASQSA-N 1 1 321.385 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058510600 677681049 /nfs/dbraw/zinc/68/10/49/677681049.db2.gz ZVHIEQUYAMBBBF-NSHDSACASA-N 1 1 311.342 -1.286 20 0 DAADMO O=C([C@@H]1CCCCC(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083190169 677681204 /nfs/dbraw/zinc/68/12/04/677681204.db2.gz BKDIVSBAGDFAPX-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C([C@@H]1CCCCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083190169 677681205 /nfs/dbraw/zinc/68/12/05/677681205.db2.gz BKDIVSBAGDFAPX-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H](NC(=O)c1cnnn1C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969601326 677681264 /nfs/dbraw/zinc/68/12/64/677681264.db2.gz HYMBGZJUKCGSRI-WPRPVWTQSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969615365 677681271 /nfs/dbraw/zinc/68/12/71/677681271.db2.gz AZZJOUVOTQCSOP-GZMMTYOYSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969615368 677681299 /nfs/dbraw/zinc/68/12/99/677681299.db2.gz AZZJOUVOTQCSOP-KCJUWKMLSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969597418 677681311 /nfs/dbraw/zinc/68/13/11/677681311.db2.gz ZNXYMXYWPHEKHV-KWQFWETISA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969597417 677681343 /nfs/dbraw/zinc/68/13/43/677681343.db2.gz ZNXYMXYWPHEKHV-KCJUWKMLSA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nncn1C ZINC000969625164 677681381 /nfs/dbraw/zinc/68/13/81/677681381.db2.gz JOWQHHOJPANCSX-RKDXNWHRSA-N 1 1 305.346 -1.096 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083193152 677681558 /nfs/dbraw/zinc/68/15/58/677681558.db2.gz CQGHGCIIWDNCNA-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO O=C(c1ccnnc1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083203795 677682003 /nfs/dbraw/zinc/68/20/03/677682003.db2.gz HUPIUOBWPJIHCA-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ccnnc1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083203795 677682004 /nfs/dbraw/zinc/68/20/04/677682004.db2.gz HUPIUOBWPJIHCA-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075634206 677682110 /nfs/dbraw/zinc/68/21/10/677682110.db2.gz CKNAVSYVAVIENI-YNEHKIRRSA-N 1 1 321.381 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001022015759 677682460 /nfs/dbraw/zinc/68/24/60/677682460.db2.gz TULKUSZNUPSUCM-OCAPTIKFSA-N 1 1 307.314 -1.448 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)c1nnnn1C ZINC001022035800 677682495 /nfs/dbraw/zinc/68/24/95/677682495.db2.gz BAHJULWICBDIKT-RBXMUDONSA-N 1 1 309.330 -1.384 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971543971 677682549 /nfs/dbraw/zinc/68/25/49/677682549.db2.gz UTKVFSNEZWHVFM-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971540062 677682594 /nfs/dbraw/zinc/68/25/94/677682594.db2.gz BSZWYTHGBRESSF-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971541324 677682598 /nfs/dbraw/zinc/68/25/98/677682598.db2.gz HYCJBTCQXLILDK-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971541324 677682599 /nfs/dbraw/zinc/68/25/99/677682599.db2.gz HYCJBTCQXLILDK-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971544708 677682609 /nfs/dbraw/zinc/68/26/09/677682609.db2.gz DUILCFFNELVEJW-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971544856 677682619 /nfs/dbraw/zinc/68/26/19/677682619.db2.gz FKXTXETYHXNLIY-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083223981 677682739 /nfs/dbraw/zinc/68/27/39/677682739.db2.gz ZGRBKWCKBGBKHK-GRYCIOLGSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083223981 677682740 /nfs/dbraw/zinc/68/27/40/677682740.db2.gz ZGRBKWCKBGBKHK-GRYCIOLGSA-N 1 1 320.353 -1.771 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083225651 677682785 /nfs/dbraw/zinc/68/27/85/677682785.db2.gz GUZRITTYDOWODJ-VHSXEESVSA-N 1 1 312.326 -2.558 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083225651 677682786 /nfs/dbraw/zinc/68/27/86/677682786.db2.gz GUZRITTYDOWODJ-VHSXEESVSA-N 1 1 312.326 -2.558 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)C1=O ZINC001083228184 677682905 /nfs/dbraw/zinc/68/29/05/677682905.db2.gz OYQKRODWGQQXKG-SDDRHHMPSA-N 1 1 321.337 -1.175 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)C1=O ZINC001083228184 677682906 /nfs/dbraw/zinc/68/29/06/677682906.db2.gz OYQKRODWGQQXKG-SDDRHHMPSA-N 1 1 321.337 -1.175 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)c4ncn[n-]4)[C@H]3C2)C1=O ZINC001083227329 677682942 /nfs/dbraw/zinc/68/29/42/677682942.db2.gz YMKUQWSWBCKRSW-GARJFASQSA-N 1 1 320.353 -1.439 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083243880 677683169 /nfs/dbraw/zinc/68/31/69/677683169.db2.gz YUINFIMOFKCVLI-GARJFASQSA-N 1 1 320.353 -1.853 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083243880 677683170 /nfs/dbraw/zinc/68/31/70/677683170.db2.gz YUINFIMOFKCVLI-GARJFASQSA-N 1 1 320.353 -1.853 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2ncc[nH]2)C1 ZINC001058547580 677683238 /nfs/dbraw/zinc/68/32/38/677683238.db2.gz MWLHGLHKPQOXEO-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042035423 677683401 /nfs/dbraw/zinc/68/34/01/677683401.db2.gz MXYRAKHQAOSFSW-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075464010 677683429 /nfs/dbraw/zinc/68/34/29/677683429.db2.gz JMIHGODKSAOTIX-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075464010 677683430 /nfs/dbraw/zinc/68/34/30/677683430.db2.gz JMIHGODKSAOTIX-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083260554 677683587 /nfs/dbraw/zinc/68/35/87/677683587.db2.gz HOUQOWYORGTGKN-HZSPNIEDSA-N 1 1 311.382 -1.241 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083260554 677683588 /nfs/dbraw/zinc/68/35/88/677683588.db2.gz HOUQOWYORGTGKN-HZSPNIEDSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@H]2C1 ZINC001083262597 677683612 /nfs/dbraw/zinc/68/36/12/677683612.db2.gz DGONKJWEISPOOH-NWDGAFQWSA-N 1 1 309.370 -1.178 20 0 DAADMO Cn1nc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)ccc1=O ZINC001083267255 677683944 /nfs/dbraw/zinc/68/39/44/677683944.db2.gz RJXJMNIUHJRTCY-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO Cn1nc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)ccc1=O ZINC001083267255 677683945 /nfs/dbraw/zinc/68/39/45/677683945.db2.gz RJXJMNIUHJRTCY-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083268807 677684046 /nfs/dbraw/zinc/68/40/46/677684046.db2.gz VELRVWPJNLJKLX-NWDGAFQWSA-N 1 1 322.365 -1.140 20 0 DAADMO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CC1 ZINC001058601550 677684280 /nfs/dbraw/zinc/68/42/80/677684280.db2.gz HAJLDQBAUXTQJZ-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274033 677684405 /nfs/dbraw/zinc/68/44/05/677684405.db2.gz SXBCCTYKLHPSNS-RWMBFGLXSA-N 1 1 310.398 -1.404 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c[nH]1 ZINC001083276118 677684500 /nfs/dbraw/zinc/68/45/00/677684500.db2.gz MZNZRSYLCDKMBE-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c[nH]1 ZINC001083276118 677684501 /nfs/dbraw/zinc/68/45/01/677684501.db2.gz MZNZRSYLCDKMBE-NWDGAFQWSA-N 1 1 308.338 -1.369 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083278339 677684524 /nfs/dbraw/zinc/68/45/24/677684524.db2.gz UFFVFTPHKMAFGS-GARJFASQSA-N 1 1 319.383 -2.418 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083278339 677684525 /nfs/dbraw/zinc/68/45/25/677684525.db2.gz UFFVFTPHKMAFGS-GARJFASQSA-N 1 1 319.383 -2.418 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278430 677684542 /nfs/dbraw/zinc/68/45/42/677684542.db2.gz XIVBGXPJSIGRLN-SDDRHHMPSA-N 1 1 317.411 -1.000 20 0 DAADMO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058610486 677684557 /nfs/dbraw/zinc/68/45/57/677684557.db2.gz JXXBZYPJDRMCJP-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO O=C(CCN1CCCC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083278789 677684593 /nfs/dbraw/zinc/68/45/93/677684593.db2.gz QTKUOJQPXTVQOS-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CCN1CCCC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083278789 677684594 /nfs/dbraw/zinc/68/45/94/677684594.db2.gz QTKUOJQPXTVQOS-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO NC(=O)C(=O)N(CCO)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058638979 677685183 /nfs/dbraw/zinc/68/51/83/677685183.db2.gz PZFXWUXVAJQXLI-AWEZNQCLSA-N 1 1 312.370 -2.105 20 0 DAADMO O=C([C@@H]1CCc2nncn2C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083282542 677685207 /nfs/dbraw/zinc/68/52/07/677685207.db2.gz IJZUMTWBEVVSKS-FRRDWIJNSA-N 1 1 321.381 -1.256 20 0 DAADMO O=C([C@@H]1CCc2nncn2C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083282542 677685208 /nfs/dbraw/zinc/68/52/08/677685208.db2.gz IJZUMTWBEVVSKS-FRRDWIJNSA-N 1 1 321.381 -1.256 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641576 677685334 /nfs/dbraw/zinc/68/53/34/677685334.db2.gz GBMSPJHBPCTFSE-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641576 677685335 /nfs/dbraw/zinc/68/53/35/677685335.db2.gz GBMSPJHBPCTFSE-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643459 677685555 /nfs/dbraw/zinc/68/55/55/677685555.db2.gz QVZWCUMUASWOSI-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058644809 677685849 /nfs/dbraw/zinc/68/58/49/677685849.db2.gz JYOJVUSQMBMVMA-LLVKDONJSA-N 1 1 314.386 -1.718 20 0 DAADMO NC(=O)C(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001058644870 677685857 /nfs/dbraw/zinc/68/58/57/677685857.db2.gz MHOAMQYSFZFSCZ-SNVBAGLBSA-N 1 1 323.353 -1.817 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646334 677685866 /nfs/dbraw/zinc/68/58/66/677685866.db2.gz FMKVTVLYJBXXEO-UHFFFAOYSA-N 1 1 302.375 -1.861 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 ZINC001083284429 677686151 /nfs/dbraw/zinc/68/61/51/677686151.db2.gz RIPQIKOIXBIKBT-WDEREUQCSA-N 1 1 308.342 -1.692 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1)N1CCC1 ZINC001075531422 677686333 /nfs/dbraw/zinc/68/63/33/677686333.db2.gz KRTXVNGXQXUIGD-NWDGAFQWSA-N 1 1 319.369 -1.562 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1)N1CCC1 ZINC001075531422 677686334 /nfs/dbraw/zinc/68/63/34/677686334.db2.gz KRTXVNGXQXUIGD-NWDGAFQWSA-N 1 1 319.369 -1.562 20 0 DAADMO NC(=O)c1cccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083287700 677686617 /nfs/dbraw/zinc/68/66/17/677686617.db2.gz UOZCSTOZDPOHND-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO NC(=O)c1cccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083287700 677686618 /nfs/dbraw/zinc/68/66/18/677686618.db2.gz UOZCSTOZDPOHND-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083291040 677686681 /nfs/dbraw/zinc/68/66/81/677686681.db2.gz KZJIGYOYELCJFL-FRRDWIJNSA-N 1 1 319.365 -1.317 20 0 DAADMO NC(=O)c1ccnc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1 ZINC001083294656 677686933 /nfs/dbraw/zinc/68/69/33/677686933.db2.gz MNLQBSXAXLZOIP-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO NC(=O)c1ccnc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1 ZINC001083294656 677686934 /nfs/dbraw/zinc/68/69/34/677686934.db2.gz MNLQBSXAXLZOIP-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cc1cnc[nH]1 ZINC001058711022 677687129 /nfs/dbraw/zinc/68/71/29/677687129.db2.gz ZKWWEUBMRTXTAF-UHFFFAOYSA-N 1 1 311.386 -1.159 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C(F)F ZINC001083297809 677687167 /nfs/dbraw/zinc/68/71/67/677687167.db2.gz AYCQOZYNFOEYOP-SFYZADRCSA-N 1 1 320.296 -1.645 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C(F)F ZINC001083297809 677687168 /nfs/dbraw/zinc/68/71/68/677687168.db2.gz AYCQOZYNFOEYOP-SFYZADRCSA-N 1 1 320.296 -1.645 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001083297748 677687170 /nfs/dbraw/zinc/68/71/70/677687170.db2.gz YANMMFQEFRVDNA-MXWKQRLJSA-N 1 1 313.354 -1.932 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001083297748 677687171 /nfs/dbraw/zinc/68/71/71/677687171.db2.gz YANMMFQEFRVDNA-MXWKQRLJSA-N 1 1 313.354 -1.932 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC001026539781 677687302 /nfs/dbraw/zinc/68/73/02/677687302.db2.gz ICCQQGFJSLPVAO-VQXHTEKXSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001075560652 677687500 /nfs/dbraw/zinc/68/75/00/677687500.db2.gz CFNICUXYDLBGBW-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 ZINC001075563297 677687646 /nfs/dbraw/zinc/68/76/46/677687646.db2.gz CVCDRPCXYPLHNE-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001058815080 677688061 /nfs/dbraw/zinc/68/80/61/677688061.db2.gz KSEDXEIFULJDMZ-UHFFFAOYSA-N 1 1 313.358 -1.038 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058848429 677688339 /nfs/dbraw/zinc/68/83/39/677688339.db2.gz FOZHNQDYOFFUIL-ZJUUUORDSA-N 1 1 300.359 -2.394 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CCCO1 ZINC001083325153 677689573 /nfs/dbraw/zinc/68/95/73/677689573.db2.gz WPDZGRNJIIFTFA-GRYCIOLGSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CCCO1 ZINC001083325153 677689574 /nfs/dbraw/zinc/68/95/74/677689574.db2.gz WPDZGRNJIIFTFA-GRYCIOLGSA-N 1 1 312.370 -1.648 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2cnc[nH]2)C1 ZINC001058948986 677689822 /nfs/dbraw/zinc/68/98/22/677689822.db2.gz INXFPXCAJUVWSH-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1=O ZINC001083329063 677689978 /nfs/dbraw/zinc/68/99/78/677689978.db2.gz RPHSOPBDUZDCHO-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1=O ZINC001083329063 677689979 /nfs/dbraw/zinc/68/99/79/677689979.db2.gz RPHSOPBDUZDCHO-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083329298 677690100 /nfs/dbraw/zinc/69/01/00/677690100.db2.gz CHTQNANRCPTOTB-UPJWGTAASA-N 1 1 324.385 -1.349 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001028518486 677690118 /nfs/dbraw/zinc/69/01/18/677690118.db2.gz CAXNHTDPENKMNA-KOLCDFICSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001028518486 677690119 /nfs/dbraw/zinc/69/01/19/677690119.db2.gz CAXNHTDPENKMNA-KOLCDFICSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001028518104 677690135 /nfs/dbraw/zinc/69/01/35/677690135.db2.gz OSBHERMAKPDVPD-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001028518104 677690136 /nfs/dbraw/zinc/69/01/36/677690136.db2.gz OSBHERMAKPDVPD-VIFPVBQESA-N 1 1 320.357 -1.511 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083329757 677690180 /nfs/dbraw/zinc/69/01/80/677690180.db2.gz UIHXXBUDECOKKX-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083329757 677690181 /nfs/dbraw/zinc/69/01/81/677690181.db2.gz UIHXXBUDECOKKX-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001028518055 677690212 /nfs/dbraw/zinc/69/02/12/677690212.db2.gz NRHGIVRUZUDVQZ-MWLCHTKSSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001083329847 677690295 /nfs/dbraw/zinc/69/02/95/677690295.db2.gz WYPBHMXRSDHXFO-NEPJUHHUSA-N 1 1 320.357 -2.189 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083329606 677690303 /nfs/dbraw/zinc/69/03/03/677690303.db2.gz OFZXAXAUPJWAQP-NEPJUHHUSA-N 1 1 310.358 -1.597 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028521114 677690364 /nfs/dbraw/zinc/69/03/64/677690364.db2.gz BZXNZTIEZDYWJE-NSHDSACASA-N 1 1 321.385 -1.108 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001028519877 677690446 /nfs/dbraw/zinc/69/04/46/677690446.db2.gz VMDHIENEBZJOFF-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001028519905 677690429 /nfs/dbraw/zinc/69/04/29/677690429.db2.gz VZAKLTOWJXQOBB-MWLCHTKSSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083331524 677690732 /nfs/dbraw/zinc/69/07/32/677690732.db2.gz LZRHGADAODKIII-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083331524 677690733 /nfs/dbraw/zinc/69/07/33/677690733.db2.gz LZRHGADAODKIII-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337604 677690869 /nfs/dbraw/zinc/69/08/69/677690869.db2.gz ZJXFVDRDOJQIBD-NEPJUHHUSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337604 677690870 /nfs/dbraw/zinc/69/08/70/677690870.db2.gz ZJXFVDRDOJQIBD-NEPJUHHUSA-N 1 1 307.354 -1.185 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001083347602 677690931 /nfs/dbraw/zinc/69/09/31/677690931.db2.gz GTYQFIHNRNHOQH-RDBSUJKOSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001083347601 677690989 /nfs/dbraw/zinc/69/09/89/677690989.db2.gz GTYQFIHNRNHOQH-HZSPNIEDSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H](O)C2)cn1 ZINC001083347913 677691055 /nfs/dbraw/zinc/69/10/55/677691055.db2.gz QNXWFTXSUYDKPL-HZSPNIEDSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3COCCO3)[C@@H](O)C2)cn1 ZINC001083347913 677691056 /nfs/dbraw/zinc/69/10/56/677691056.db2.gz QNXWFTXSUYDKPL-HZSPNIEDSA-N 1 1 324.381 -1.461 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1cn[nH]c1 ZINC001083353854 677691380 /nfs/dbraw/zinc/69/13/80/677691380.db2.gz ZHLKVBBMJXCUMU-UTUOFQBUSA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083368305 677691922 /nfs/dbraw/zinc/69/19/22/677691922.db2.gz JHDSJZXSHYSDEY-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083368305 677691923 /nfs/dbraw/zinc/69/19/23/677691923.db2.gz JHDSJZXSHYSDEY-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368340 677691936 /nfs/dbraw/zinc/69/19/36/677691936.db2.gz KHVFCUXGYCCUAG-VWYCJHECSA-N 1 1 309.374 -2.034 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368199 677691997 /nfs/dbraw/zinc/69/19/97/677691997.db2.gz GBUAODAYTLFTGJ-UTUOFQBUSA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083368759 677692008 /nfs/dbraw/zinc/69/20/08/677692008.db2.gz WCQHYVNQSQOLQX-MXWKQRLJSA-N 1 1 309.374 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371775 677692216 /nfs/dbraw/zinc/69/22/16/677692216.db2.gz JKBSJNZEMAZGEQ-UPJWGTAASA-N 1 1 311.382 -1.005 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371851 677692220 /nfs/dbraw/zinc/69/22/20/677692220.db2.gz NTIHRRQOMFFZLH-UTUOFQBUSA-N 1 1 324.381 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371851 677692221 /nfs/dbraw/zinc/69/22/21/677692221.db2.gz NTIHRRQOMFFZLH-UTUOFQBUSA-N 1 1 324.381 -1.951 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083375272 677692230 /nfs/dbraw/zinc/69/22/30/677692230.db2.gz PXPVJEDLIJPLKJ-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083375272 677692231 /nfs/dbraw/zinc/69/22/31/677692231.db2.gz PXPVJEDLIJPLKJ-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083374421 677692362 /nfs/dbraw/zinc/69/23/62/677692362.db2.gz BMZQYFZXGHFPBP-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083374421 677692363 /nfs/dbraw/zinc/69/23/63/677692363.db2.gz BMZQYFZXGHFPBP-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)nnn1C ZINC001083381998 677692706 /nfs/dbraw/zinc/69/27/06/677692706.db2.gz LYLZDQAMAZRDOR-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083380548 677692794 /nfs/dbraw/zinc/69/27/94/677692794.db2.gz AJGSMCHDCPSHJN-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083380548 677692796 /nfs/dbraw/zinc/69/27/96/677692796.db2.gz AJGSMCHDCPSHJN-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO Cn1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385658 677692937 /nfs/dbraw/zinc/69/29/37/677692937.db2.gz UWJOGIUQJBGEDJ-RDBSUJKOSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385658 677692939 /nfs/dbraw/zinc/69/29/39/677692939.db2.gz UWJOGIUQJBGEDJ-RDBSUJKOSA-N 1 1 323.397 -1.588 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)co1 ZINC001083385624 677692945 /nfs/dbraw/zinc/69/29/45/677692945.db2.gz UBYOBLALOBDTPW-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)co1 ZINC001083385624 677692947 /nfs/dbraw/zinc/69/29/47/677692947.db2.gz UBYOBLALOBDTPW-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)C1 ZINC001083385370 677692973 /nfs/dbraw/zinc/69/29/73/677692973.db2.gz MCBJXHHWVACVPS-WOPDTQHZSA-N 1 1 311.342 -1.939 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)C1 ZINC001083385370 677692974 /nfs/dbraw/zinc/69/29/74/677692974.db2.gz MCBJXHHWVACVPS-WOPDTQHZSA-N 1 1 311.342 -1.939 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)no1 ZINC001083385632 677693006 /nfs/dbraw/zinc/69/30/06/677693006.db2.gz UDOVVGSOOOLPTF-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)no1 ZINC001083385632 677693008 /nfs/dbraw/zinc/69/30/08/677693008.db2.gz UDOVVGSOOOLPTF-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385645 677693077 /nfs/dbraw/zinc/69/30/77/677693077.db2.gz UKOAFZWAWBAGKR-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385645 677693078 /nfs/dbraw/zinc/69/30/78/677693078.db2.gz UKOAFZWAWBAGKR-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001028733079 677693775 /nfs/dbraw/zinc/69/37/75/677693775.db2.gz CRHRPXXXXVGCHE-MRVPVSSYSA-N 1 1 309.326 -1.977 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028728502 677693847 /nfs/dbraw/zinc/69/38/47/677693847.db2.gz UJTNCCHUHIMFDX-UWVGGRQHSA-N 1 1 320.353 -1.030 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3COCCO3)C2)n1 ZINC000983213594 677693936 /nfs/dbraw/zinc/69/39/36/677693936.db2.gz BWGSRBMCZPEROB-DCAQKATOSA-N 1 1 310.358 -1.390 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001028735852 677694087 /nfs/dbraw/zinc/69/40/87/677694087.db2.gz SGJQRBNVYVJVDL-PWSUYJOCSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001028735852 677694088 /nfs/dbraw/zinc/69/40/88/677694088.db2.gz SGJQRBNVYVJVDL-PWSUYJOCSA-N 1 1 306.370 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075728060 677694371 /nfs/dbraw/zinc/69/43/71/677694371.db2.gz VNEUWDPYLRFBEU-LPEHRKFASA-N 1 1 308.338 -1.002 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075728060 677694372 /nfs/dbraw/zinc/69/43/72/677694372.db2.gz VNEUWDPYLRFBEU-LPEHRKFASA-N 1 1 308.338 -1.002 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001075734031 677694425 /nfs/dbraw/zinc/69/44/25/677694425.db2.gz JALBKALJHRMKEN-FPMFFAJLSA-N 1 1 320.393 -1.114 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083407622 677695579 /nfs/dbraw/zinc/69/55/79/677695579.db2.gz XUMZUWOZYIBAKM-TUAOUCFPSA-N 1 1 323.353 -1.607 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083407622 677695581 /nfs/dbraw/zinc/69/55/81/677695581.db2.gz XUMZUWOZYIBAKM-TUAOUCFPSA-N 1 1 323.353 -1.607 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1)NC1CC1 ZINC001075796854 677696533 /nfs/dbraw/zinc/69/65/33/677696533.db2.gz GNSPLJYFCFJSDH-CMPLNLGQSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1)NC1CC1 ZINC001075796854 677696535 /nfs/dbraw/zinc/69/65/35/677696535.db2.gz GNSPLJYFCFJSDH-CMPLNLGQSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075797249 677696555 /nfs/dbraw/zinc/69/65/55/677696555.db2.gz ZQFSRCHSGKNWPJ-GARJFASQSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083415695 677696855 /nfs/dbraw/zinc/69/68/55/677696855.db2.gz AXLFIVMADWKQDZ-MJBXVCDLSA-N 1 1 313.398 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083417069 677697367 /nfs/dbraw/zinc/69/73/67/677697367.db2.gz CMJGWJAPOPNWNA-AGIUHOORSA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083417069 677697370 /nfs/dbraw/zinc/69/73/70/677697370.db2.gz CMJGWJAPOPNWNA-AGIUHOORSA-N 1 1 324.385 -2.230 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396475 677699505 /nfs/dbraw/zinc/69/95/05/677699505.db2.gz BMNCRVYPEIUMSU-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396475 677699508 /nfs/dbraw/zinc/69/95/08/677699508.db2.gz BMNCRVYPEIUMSU-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001075831176 677699977 /nfs/dbraw/zinc/69/99/77/677699977.db2.gz LXUCCRYOPAHGDZ-JFGNBEQYSA-N 1 1 302.396 -1.056 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001075831176 677699980 /nfs/dbraw/zinc/69/99/80/677699980.db2.gz LXUCCRYOPAHGDZ-JFGNBEQYSA-N 1 1 302.396 -1.056 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001029681475 677702610 /nfs/dbraw/zinc/70/26/10/677702610.db2.gz KFXQEBVOXXHBKR-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681275 677702660 /nfs/dbraw/zinc/70/26/60/677702660.db2.gz IHBYJEGNPCWTOG-UWVGGRQHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681275 677702664 /nfs/dbraw/zinc/70/26/64/677702664.db2.gz IHBYJEGNPCWTOG-UWVGGRQHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@@H]1CCNC1=O ZINC001029712455 677702704 /nfs/dbraw/zinc/70/27/04/677702704.db2.gz UDDXCLYTMQJTRW-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040102072 677703172 /nfs/dbraw/zinc/70/31/72/677703172.db2.gz YPHWPAPOFCOPAA-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888482 677707324 /nfs/dbraw/zinc/70/73/24/677707324.db2.gz LKBRVVLLBWKJCC-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888482 677707326 /nfs/dbraw/zinc/70/73/26/677707326.db2.gz LKBRVVLLBWKJCC-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888648 677707429 /nfs/dbraw/zinc/70/74/29/677707429.db2.gz UXIVUMYKELPVOE-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cncn1 ZINC000988140452 677709022 /nfs/dbraw/zinc/70/90/22/677709022.db2.gz DOUWMSFSMFNZGM-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)c1nnn(C)n1 ZINC000988092279 677709192 /nfs/dbraw/zinc/70/91/92/677709192.db2.gz QTDXAQWLIYSYEQ-VWYCJHECSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001075902847 677711626 /nfs/dbraw/zinc/71/16/26/677711626.db2.gz KTHKFWPREWCKHL-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001075902847 677711631 /nfs/dbraw/zinc/71/16/31/677711631.db2.gz KTHKFWPREWCKHL-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083433481 677711745 /nfs/dbraw/zinc/71/17/45/677711745.db2.gz MSIAVWWORIWQSK-OLZOCXBDSA-N 1 1 317.353 -1.528 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083433481 677711748 /nfs/dbraw/zinc/71/17/48/677711748.db2.gz MSIAVWWORIWQSK-OLZOCXBDSA-N 1 1 317.353 -1.528 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083433918 677711853 /nfs/dbraw/zinc/71/18/53/677711853.db2.gz JVLDXXFMCXTLJK-VWYCJHECSA-N 1 1 309.326 -1.847 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083433918 677711855 /nfs/dbraw/zinc/71/18/55/677711855.db2.gz JVLDXXFMCXTLJK-VWYCJHECSA-N 1 1 309.326 -1.847 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083437405 677712567 /nfs/dbraw/zinc/71/25/67/677712567.db2.gz PNVJEAWXSMIMBP-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083437405 677712570 /nfs/dbraw/zinc/71/25/70/677712570.db2.gz PNVJEAWXSMIMBP-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)nn1 ZINC001083443104 677714748 /nfs/dbraw/zinc/71/47/48/677714748.db2.gz TWHAWLZTDWOMCA-KOLCDFICSA-N 1 1 323.357 -2.385 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)nn1 ZINC001083443104 677714750 /nfs/dbraw/zinc/71/47/50/677714750.db2.gz TWHAWLZTDWOMCA-KOLCDFICSA-N 1 1 323.357 -2.385 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)o1 ZINC001083444323 677715281 /nfs/dbraw/zinc/71/52/81/677715281.db2.gz YHCHQNFOIYKJCU-NEPJUHHUSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)o1 ZINC001083444323 677715283 /nfs/dbraw/zinc/71/52/83/677715283.db2.gz YHCHQNFOIYKJCU-NEPJUHHUSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001083443860 677715506 /nfs/dbraw/zinc/71/55/06/677715506.db2.gz BCILNKCHIGKDDO-MNOVXSKESA-N 1 1 321.341 -1.626 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001083443860 677715510 /nfs/dbraw/zinc/71/55/10/677715510.db2.gz BCILNKCHIGKDDO-MNOVXSKESA-N 1 1 321.341 -1.626 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1ncc[nH]1 ZINC001083445941 677716090 /nfs/dbraw/zinc/71/60/90/677716090.db2.gz AYQRAIYBKGNUPA-UTUOFQBUSA-N 1 1 320.353 -1.558 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001075920330 677716884 /nfs/dbraw/zinc/71/68/84/677716884.db2.gz ALDLZWHSNPSZKO-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001075920330 677716886 /nfs/dbraw/zinc/71/68/86/677716886.db2.gz ALDLZWHSNPSZKO-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001075922957 677717218 /nfs/dbraw/zinc/71/72/18/677717218.db2.gz VGMZYDFHYJQEOK-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001075922957 677717221 /nfs/dbraw/zinc/71/72/21/677717221.db2.gz VGMZYDFHYJQEOK-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](O)C1 ZINC001083457971 677718325 /nfs/dbraw/zinc/71/83/25/677718325.db2.gz OYJFDZXUEVHPQG-OLZOCXBDSA-N 1 1 309.366 -1.036 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001083458353 677718343 /nfs/dbraw/zinc/71/83/43/677718343.db2.gz JMAGILNZBFGVPE-OLZOCXBDSA-N 1 1 309.366 -1.300 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001083459969 677718403 /nfs/dbraw/zinc/71/84/03/677718403.db2.gz JMGIGEHIVZMXIB-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083463979 677719793 /nfs/dbraw/zinc/71/97/93/677719793.db2.gz JZHNLVOGTIXJPI-TUAOUCFPSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083464271 677720490 /nfs/dbraw/zinc/72/04/90/677720490.db2.gz YBGITSOAIBWJLG-UTUOFQBUSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083463902 677720565 /nfs/dbraw/zinc/72/05/65/677720565.db2.gz GANQHCUVJQHRMP-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083463902 677720566 /nfs/dbraw/zinc/72/05/66/677720566.db2.gz GANQHCUVJQHRMP-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1=O ZINC001083464242 677720574 /nfs/dbraw/zinc/72/05/74/677720574.db2.gz WVHNXNGNVJKBAW-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1=O ZINC001083464242 677720576 /nfs/dbraw/zinc/72/05/76/677720576.db2.gz WVHNXNGNVJKBAW-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083464291 677720607 /nfs/dbraw/zinc/72/06/07/677720607.db2.gz ZHBQUVHFRPPKGF-ZJUUUORDSA-N 1 1 316.312 -1.120 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083463868 677720665 /nfs/dbraw/zinc/72/06/65/677720665.db2.gz FERPDVNYLKUMAL-MNOVXSKESA-N 1 1 323.382 -1.466 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083463868 677720667 /nfs/dbraw/zinc/72/06/67/677720667.db2.gz FERPDVNYLKUMAL-MNOVXSKESA-N 1 1 323.382 -1.466 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075965866 677723163 /nfs/dbraw/zinc/72/31/63/677723163.db2.gz HAOLACGLKUREMB-MELADBBJSA-N 1 1 324.425 -1.326 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001075965865 677723292 /nfs/dbraw/zinc/72/32/92/677723292.db2.gz HAOLACGLKUREMB-HZSPNIEDSA-N 1 1 324.425 -1.326 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075966210 677723299 /nfs/dbraw/zinc/72/32/99/677723299.db2.gz SWLXEQFXLRMDEY-NWDGAFQWSA-N 1 1 323.397 -2.222 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075966210 677723302 /nfs/dbraw/zinc/72/33/02/677723302.db2.gz SWLXEQFXLRMDEY-NWDGAFQWSA-N 1 1 323.397 -2.222 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040270037 677723629 /nfs/dbraw/zinc/72/36/29/677723629.db2.gz ZHTDGEDEOUKOPY-ZDUSSCGKSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075978721 677723761 /nfs/dbraw/zinc/72/37/61/677723761.db2.gz XBONNBXUZIXBOC-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075978721 677723764 /nfs/dbraw/zinc/72/37/64/677723764.db2.gz XBONNBXUZIXBOC-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)CC[N@H+]1C ZINC001083473557 677723938 /nfs/dbraw/zinc/72/39/38/677723938.db2.gz INQNAAOOSSGDGX-LOWDOPEQSA-N 1 1 312.414 -1.376 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)CC[N@H+]1C ZINC001083472513 677724074 /nfs/dbraw/zinc/72/40/74/677724074.db2.gz BQJUFKYWMSVHMA-ZRJCITRHSA-N 1 1 322.413 -1.183 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)n1 ZINC001083473668 677724200 /nfs/dbraw/zinc/72/42/00/677724200.db2.gz ODTFBIVZOFHDQT-MNOVXSKESA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083477043 677724888 /nfs/dbraw/zinc/72/48/88/677724888.db2.gz XKUJOCHQOZKLEH-OPDFLTKYSA-N 1 1 307.354 -1.524 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083477043 677724892 /nfs/dbraw/zinc/72/48/92/677724892.db2.gz XKUJOCHQOZKLEH-OPDFLTKYSA-N 1 1 307.354 -1.524 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476615 677724941 /nfs/dbraw/zinc/72/49/41/677724941.db2.gz YYHJOEKADWYJIW-OXIQGZBJSA-N 1 1 324.381 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476615 677724945 /nfs/dbraw/zinc/72/49/45/677724945.db2.gz YYHJOEKADWYJIW-OXIQGZBJSA-N 1 1 324.381 -1.791 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001083481622 677725230 /nfs/dbraw/zinc/72/52/30/677725230.db2.gz PRABQXOPFYOEBM-ZJUUUORDSA-N 1 1 310.354 -1.500 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001083481622 677725233 /nfs/dbraw/zinc/72/52/33/677725233.db2.gz PRABQXOPFYOEBM-ZJUUUORDSA-N 1 1 310.354 -1.500 20 0 DAADMO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083484348 677725253 /nfs/dbraw/zinc/72/52/53/677725253.db2.gz FWZDYMMDAWLSCQ-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083484348 677725254 /nfs/dbraw/zinc/72/52/54/677725254.db2.gz FWZDYMMDAWLSCQ-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001083491999 677725693 /nfs/dbraw/zinc/72/56/93/677725693.db2.gz GPKIJIMTSYYVOA-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083492502 677726600 /nfs/dbraw/zinc/72/66/00/677726600.db2.gz FIQFFQQXWUGPPC-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO CC(C)CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504018 677728308 /nfs/dbraw/zinc/72/83/08/677728308.db2.gz MGBQLLOVQOXZPM-UPJWGTAASA-N 1 1 313.398 -1.356 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083506577 677728692 /nfs/dbraw/zinc/72/86/92/677728692.db2.gz PFKOJZRWDNPANP-MNOVXSKESA-N 1 1 323.390 -1.457 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083510087 677728975 /nfs/dbraw/zinc/72/89/75/677728975.db2.gz NDHPJIBJRAORCH-FXAINCCUSA-N 1 1 310.354 -1.051 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083510087 677728976 /nfs/dbraw/zinc/72/89/76/677728976.db2.gz NDHPJIBJRAORCH-FXAINCCUSA-N 1 1 310.354 -1.051 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522423 677730756 /nfs/dbraw/zinc/73/07/56/677730756.db2.gz GQCJFAISWUFNNH-UTUOFQBUSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c(c1)OCC(=O)N2 ZINC001083525241 677730889 /nfs/dbraw/zinc/73/08/89/677730889.db2.gz GZLZKWWXBPWQKU-NEPJUHHUSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(c1)OCC(=O)N2 ZINC001083525241 677730894 /nfs/dbraw/zinc/73/08/94/677730894.db2.gz GZLZKWWXBPWQKU-NEPJUHHUSA-N 1 1 321.333 -1.215 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083524411 677730957 /nfs/dbraw/zinc/73/09/57/677730957.db2.gz UBKDUWBIVBRUTD-UPJWGTAASA-N 1 1 312.414 -1.104 20 0 DAADMO Cn1c(=O)oc2c1cccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083522534 677731006 /nfs/dbraw/zinc/73/10/06/677731006.db2.gz KTECUURNORVSML-PWSUYJOCSA-N 1 1 321.333 -1.101 20 0 DAADMO Cn1c(=O)oc2c1cccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083522534 677731009 /nfs/dbraw/zinc/73/10/09/677731009.db2.gz KTECUURNORVSML-PWSUYJOCSA-N 1 1 321.333 -1.101 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083534255 677731657 /nfs/dbraw/zinc/73/16/57/677731657.db2.gz KMCOPYOEGNDOOT-YIZRAAEISA-N 1 1 300.315 -2.872 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cccc2c1NC(=O)CO2 ZINC001083530667 677731716 /nfs/dbraw/zinc/73/17/16/677731716.db2.gz ZDOUZGUHGGDFLZ-MNOVXSKESA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc2c1NC(=O)CO2 ZINC001083530667 677731717 /nfs/dbraw/zinc/73/17/17/677731717.db2.gz ZDOUZGUHGGDFLZ-MNOVXSKESA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CNC(=O)c2ccccc21 ZINC001083531581 677731784 /nfs/dbraw/zinc/73/17/84/677731784.db2.gz WHRTYMMHUXMVAB-MCIONIFRSA-N 1 1 319.361 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CNC(=O)c2ccccc21 ZINC001083531581 677731785 /nfs/dbraw/zinc/73/17/85/677731785.db2.gz WHRTYMMHUXMVAB-MCIONIFRSA-N 1 1 319.361 -1.333 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076027155 677732118 /nfs/dbraw/zinc/73/21/18/677732118.db2.gz HFAFFOGMFRJGRF-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076027155 677732119 /nfs/dbraw/zinc/73/21/19/677732119.db2.gz HFAFFOGMFRJGRF-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537521 677732416 /nfs/dbraw/zinc/73/24/16/677732416.db2.gz ABZRQNRXBYVXFO-JLLWLGSASA-N 1 1 310.354 -1.410 20 0 DAADMO Cn1cnc2cncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)c21 ZINC001083538766 677732524 /nfs/dbraw/zinc/73/25/24/677732524.db2.gz PMTODEFAGVHGHN-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2cncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC001083538766 677732528 /nfs/dbraw/zinc/73/25/28/677732528.db2.gz PMTODEFAGVHGHN-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076027399 677732724 /nfs/dbraw/zinc/73/27/24/677732724.db2.gz OJDAIOKXWWRNEQ-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076027399 677732730 /nfs/dbraw/zinc/73/27/30/677732730.db2.gz OJDAIOKXWWRNEQ-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001076028473 677732869 /nfs/dbraw/zinc/73/28/69/677732869.db2.gz DPCWVRAFLCWIBN-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001076028473 677732874 /nfs/dbraw/zinc/73/28/74/677732874.db2.gz DPCWVRAFLCWIBN-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001076028474 677732964 /nfs/dbraw/zinc/73/29/64/677732964.db2.gz DPCWVRAFLCWIBN-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001076028474 677732966 /nfs/dbraw/zinc/73/29/66/677732966.db2.gz DPCWVRAFLCWIBN-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC001076077900 677733349 /nfs/dbraw/zinc/73/33/49/677733349.db2.gz GGACUUZZIRMMMT-GARJFASQSA-N 1 1 315.395 -1.548 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC001076077900 677733351 /nfs/dbraw/zinc/73/33/51/677733351.db2.gz GGACUUZZIRMMMT-GARJFASQSA-N 1 1 315.395 -1.548 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076079365 677733383 /nfs/dbraw/zinc/73/33/83/677733383.db2.gz SHDIYTKAYPIKQC-WCFLWFBJSA-N 1 1 319.365 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076064008 677733558 /nfs/dbraw/zinc/73/35/58/677733558.db2.gz JVMIEFMXMUPSJZ-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076064008 677733561 /nfs/dbraw/zinc/73/35/61/677733561.db2.gz JVMIEFMXMUPSJZ-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126107 677733940 /nfs/dbraw/zinc/73/39/40/677733940.db2.gz LYNVWGSTKNDEBN-CYZMBNFOSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076126107 677733942 /nfs/dbraw/zinc/73/39/42/677733942.db2.gz LYNVWGSTKNDEBN-CYZMBNFOSA-N 1 1 318.381 -1.016 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001076126188 677734020 /nfs/dbraw/zinc/73/40/20/677734020.db2.gz OWMOPXAKLOCURP-WCFLWFBJSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001076126188 677734021 /nfs/dbraw/zinc/73/40/21/677734021.db2.gz OWMOPXAKLOCURP-WCFLWFBJSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001076120562 677734038 /nfs/dbraw/zinc/73/40/38/677734038.db2.gz BCQIRHKOYWJZHG-WCBMZHEXSA-N 1 1 321.337 -1.883 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC001076120562 677734042 /nfs/dbraw/zinc/73/40/42/677734042.db2.gz BCQIRHKOYWJZHG-WCBMZHEXSA-N 1 1 321.337 -1.883 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133304 677734118 /nfs/dbraw/zinc/73/41/18/677734118.db2.gz RUYALWZAHIHQTN-SDDRHHMPSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133304 677734122 /nfs/dbraw/zinc/73/41/22/677734122.db2.gz RUYALWZAHIHQTN-SDDRHHMPSA-N 1 1 323.397 -1.369 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001076124650 677734228 /nfs/dbraw/zinc/73/42/28/677734228.db2.gz LDKUOPHMNMEUAM-YNEHKIRRSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001076124650 677734234 /nfs/dbraw/zinc/73/42/34/677734234.db2.gz LDKUOPHMNMEUAM-YNEHKIRRSA-N 1 1 320.393 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141820 677734871 /nfs/dbraw/zinc/73/48/71/677734871.db2.gz GILONGAAOHGWDC-LPEHRKFASA-N 1 1 307.358 -1.380 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141820 677734874 /nfs/dbraw/zinc/73/48/74/677734874.db2.gz GILONGAAOHGWDC-LPEHRKFASA-N 1 1 307.358 -1.380 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076200099 677735207 /nfs/dbraw/zinc/73/52/07/677735207.db2.gz GWVLVPPQKIETDL-SDDRHHMPSA-N 1 1 307.354 -1.738 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076187912 677735466 /nfs/dbraw/zinc/73/54/66/677735466.db2.gz SGGQLXLIDZYNIB-ZMLRMANQSA-N 1 1 317.349 -1.195 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195741 677735473 /nfs/dbraw/zinc/73/54/73/677735473.db2.gz UIQDCJRKJIVDLS-GARJFASQSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195741 677735474 /nfs/dbraw/zinc/73/54/74/677735474.db2.gz UIQDCJRKJIVDLS-GARJFASQSA-N 1 1 309.370 -1.711 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076187911 677735495 /nfs/dbraw/zinc/73/54/95/677735495.db2.gz SGGQLXLIDZYNIB-MVWJERBFSA-N 1 1 317.349 -1.195 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001076198832 677735516 /nfs/dbraw/zinc/73/55/16/677735516.db2.gz PIKUXZRKRLQBBH-SDDRHHMPSA-N 1 1 324.381 -2.012 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076198879 677735531 /nfs/dbraw/zinc/73/55/31/677735531.db2.gz RIFMHEXKUCTOLD-GARJFASQSA-N 1 1 315.395 -1.561 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076198879 677735532 /nfs/dbraw/zinc/73/55/32/677735532.db2.gz RIFMHEXKUCTOLD-GARJFASQSA-N 1 1 315.395 -1.561 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076248722 677736869 /nfs/dbraw/zinc/73/68/69/677736869.db2.gz ACWOAKPCMCOLQS-ZBAXXZLZSA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076248722 677736871 /nfs/dbraw/zinc/73/68/71/677736871.db2.gz ACWOAKPCMCOLQS-ZBAXXZLZSA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001076249931 677737024 /nfs/dbraw/zinc/73/70/24/677737024.db2.gz JHFIWAIPWKBYPV-NOOOWODRSA-N 1 1 308.382 -1.094 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001076249931 677737027 /nfs/dbraw/zinc/73/70/27/677737027.db2.gz JHFIWAIPWKBYPV-NOOOWODRSA-N 1 1 308.382 -1.094 20 0 DAADMO CNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076254289 677737412 /nfs/dbraw/zinc/73/74/12/677737412.db2.gz IOUHANCFIUFXAV-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076254289 677737416 /nfs/dbraw/zinc/73/74/16/677737416.db2.gz IOUHANCFIUFXAV-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076298345 677738609 /nfs/dbraw/zinc/73/86/09/677738609.db2.gz ABSNHMCTOCYDJF-LPEHRKFASA-N 1 1 323.353 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076298345 677738612 /nfs/dbraw/zinc/73/86/12/677738612.db2.gz ABSNHMCTOCYDJF-LPEHRKFASA-N 1 1 323.353 -2.137 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076299412 677738726 /nfs/dbraw/zinc/73/87/26/677738726.db2.gz XSFWBDQFOOLTJS-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076299212 677738925 /nfs/dbraw/zinc/73/89/25/677738925.db2.gz QMUPQNWFHWFZJQ-XHNCKOQMSA-N 1 1 309.326 -2.398 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001076299212 677738928 /nfs/dbraw/zinc/73/89/28/677738928.db2.gz QMUPQNWFHWFZJQ-XHNCKOQMSA-N 1 1 309.326 -2.398 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)cn1C ZINC001083546648 677739391 /nfs/dbraw/zinc/73/93/91/677739391.db2.gz YLOHXTCBTCFKBX-SUHUHFCYSA-N 1 1 309.366 -1.151 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cn1C ZINC001083546648 677739394 /nfs/dbraw/zinc/73/93/94/677739394.db2.gz YLOHXTCBTCFKBX-SUHUHFCYSA-N 1 1 309.366 -1.151 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC001076359598 677740280 /nfs/dbraw/zinc/74/02/80/677740280.db2.gz KGTNWRGJRPNOEY-MVWJERBFSA-N 1 1 304.354 -1.150 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076365407 677740294 /nfs/dbraw/zinc/74/02/94/677740294.db2.gz WIDIQTCKZAOEMB-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076365407 677740296 /nfs/dbraw/zinc/74/02/96/677740296.db2.gz WIDIQTCKZAOEMB-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076374425 677740641 /nfs/dbraw/zinc/74/06/41/677740641.db2.gz MOSMAHCOLIKIEI-LPEHRKFASA-N 1 1 318.337 -1.244 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076374424 677740684 /nfs/dbraw/zinc/74/06/84/677740684.db2.gz MOSMAHCOLIKIEI-IVZWLZJFSA-N 1 1 318.337 -1.244 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076373666 677740731 /nfs/dbraw/zinc/74/07/31/677740731.db2.gz DQWDDNCCYIPFDD-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076373666 677740733 /nfs/dbraw/zinc/74/07/33/677740733.db2.gz DQWDDNCCYIPFDD-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076397580 677741153 /nfs/dbraw/zinc/74/11/53/677741153.db2.gz UWWRGCICVBRIKC-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076397580 677741158 /nfs/dbraw/zinc/74/11/58/677741158.db2.gz UWWRGCICVBRIKC-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395653 677742025 /nfs/dbraw/zinc/74/20/25/677742025.db2.gz HAKBVQYCRNQPRI-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076430413 677742035 /nfs/dbraw/zinc/74/20/35/677742035.db2.gz KZVNINWLFFTRKA-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001076454611 677742553 /nfs/dbraw/zinc/74/25/53/677742553.db2.gz CQDOURGTCOEXIF-GRYCIOLGSA-N 1 1 324.381 -1.206 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076537214 677743783 /nfs/dbraw/zinc/74/37/83/677743783.db2.gz ZYNYWPFUKHNNHP-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076537214 677743786 /nfs/dbraw/zinc/74/37/86/677743786.db2.gz ZYNYWPFUKHNNHP-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001076544809 677744207 /nfs/dbraw/zinc/74/42/07/677744207.db2.gz FYWWKTXFPFBIOJ-GRYCIOLGSA-N 1 1 324.381 -1.206 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC001076545238 677744406 /nfs/dbraw/zinc/74/44/06/677744406.db2.gz QIRXMTDXVYDRFR-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001076589742 677744606 /nfs/dbraw/zinc/74/46/06/677744606.db2.gz NDJOGMAQBGWQPO-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076582411 677744709 /nfs/dbraw/zinc/74/47/09/677744709.db2.gz VSCIENLZDWQUJN-HBNTYKKESA-N 1 1 303.384 -1.797 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001076601050 677744741 /nfs/dbraw/zinc/74/47/41/677744741.db2.gz YZMDSSRZGBQRLL-QJPTWQEYSA-N 1 1 318.381 -1.142 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001076601050 677744743 /nfs/dbraw/zinc/74/47/43/677744743.db2.gz YZMDSSRZGBQRLL-QJPTWQEYSA-N 1 1 318.381 -1.142 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076582096 677744909 /nfs/dbraw/zinc/74/49/09/677744909.db2.gz KASLGDDSDZQRSI-SDDRHHMPSA-N 1 1 317.411 -1.143 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC001076609312 677745370 /nfs/dbraw/zinc/74/53/70/677745370.db2.gz FZIBSTZCAFRALA-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC001076609312 677745373 /nfs/dbraw/zinc/74/53/73/677745373.db2.gz FZIBSTZCAFRALA-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607449 677745511 /nfs/dbraw/zinc/74/55/11/677745511.db2.gz GDZBFRZXOYRZDW-JBLDHEPKSA-N 1 1 322.369 -1.710 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615015 677746145 /nfs/dbraw/zinc/74/61/45/677746145.db2.gz JEGIRBRUCRBMLN-WDEREUQCSA-N 1 1 321.381 -1.384 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615015 677746146 /nfs/dbraw/zinc/74/61/46/677746146.db2.gz JEGIRBRUCRBMLN-WDEREUQCSA-N 1 1 321.381 -1.384 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCOCC1 ZINC001076645924 677746578 /nfs/dbraw/zinc/74/65/78/677746578.db2.gz SXLXBHPXAVRHAJ-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCOCC1 ZINC001076645924 677746581 /nfs/dbraw/zinc/74/65/81/677746581.db2.gz SXLXBHPXAVRHAJ-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001076672603 677748727 /nfs/dbraw/zinc/74/87/27/677748727.db2.gz BHAHKPSUASFEQW-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076704001 677750434 /nfs/dbraw/zinc/75/04/34/677750434.db2.gz QYGYXSMLLSYUSH-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076704001 677750437 /nfs/dbraw/zinc/75/04/37/677750437.db2.gz QYGYXSMLLSYUSH-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001076722272 677751013 /nfs/dbraw/zinc/75/10/13/677751013.db2.gz XCBPZOWWMBXIEA-IJLUTSLNSA-N 1 1 310.358 -1.597 20 0 DAADMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001076724074 677751777 /nfs/dbraw/zinc/75/17/77/677751777.db2.gz IPJSAXONYGHREZ-JHJVBQTASA-N 1 1 324.385 -1.351 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076751176 677753958 /nfs/dbraw/zinc/75/39/58/677753958.db2.gz ZXORBRMKPNPKAM-DGCLKSJQSA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076751176 677753960 /nfs/dbraw/zinc/75/39/60/677753960.db2.gz ZXORBRMKPNPKAM-DGCLKSJQSA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 ZINC001076760750 677754308 /nfs/dbraw/zinc/75/43/08/677754308.db2.gz QNXWFTXSUYDKPL-MCIONIFRSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3COCCO3)C2)cn1 ZINC001076760750 677754311 /nfs/dbraw/zinc/75/43/11/677754311.db2.gz QNXWFTXSUYDKPL-MCIONIFRSA-N 1 1 324.381 -1.461 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)n1cccn1 ZINC001076765584 677754737 /nfs/dbraw/zinc/75/47/37/677754737.db2.gz JHUCHIRPGZHBFA-JHJVBQTASA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)n1cccn1 ZINC001076765584 677754739 /nfs/dbraw/zinc/75/47/39/677754739.db2.gz JHUCHIRPGZHBFA-JHJVBQTASA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076766034 677754785 /nfs/dbraw/zinc/75/47/85/677754785.db2.gz ZUBXOHIPWILCNE-GHMZBOCLSA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076766034 677754786 /nfs/dbraw/zinc/75/47/86/677754786.db2.gz ZUBXOHIPWILCNE-GHMZBOCLSA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076762014 677754833 /nfs/dbraw/zinc/75/48/33/677754833.db2.gz KKMLAPYZCSQHRW-GHMZBOCLSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076762014 677754836 /nfs/dbraw/zinc/75/48/36/677754836.db2.gz KKMLAPYZCSQHRW-GHMZBOCLSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076760037 677755446 /nfs/dbraw/zinc/75/54/46/677755446.db2.gz FZNULGLCGRZDLU-MCIONIFRSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccon1 ZINC001076766892 677755551 /nfs/dbraw/zinc/75/55/51/677755551.db2.gz HHDPOSHITNKQGU-CYZMBNFOSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccon1 ZINC001076766892 677755552 /nfs/dbraw/zinc/75/55/52/677755552.db2.gz HHDPOSHITNKQGU-CYZMBNFOSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCOC1 ZINC001076794334 677757862 /nfs/dbraw/zinc/75/78/62/677757862.db2.gz YJNJYFZUSCYEQZ-YNEHKIRRSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCOC1 ZINC001076794334 677757863 /nfs/dbraw/zinc/75/78/63/677757863.db2.gz YJNJYFZUSCYEQZ-YNEHKIRRSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001076805587 677758386 /nfs/dbraw/zinc/75/83/86/677758386.db2.gz NDPHEVOXYAMDEF-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nn2c1 ZINC001083554600 677758966 /nfs/dbraw/zinc/75/89/66/677758966.db2.gz NYGHBWUWGRSBDN-ZJUUUORDSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC001083554600 677758968 /nfs/dbraw/zinc/75/89/68/677758968.db2.gz NYGHBWUWGRSBDN-ZJUUUORDSA-N 1 1 306.326 -1.800 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076816790 677759163 /nfs/dbraw/zinc/75/91/63/677759163.db2.gz ZBBLKBWFGBMSES-NXEZZACHSA-N 1 1 318.341 -1.875 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076816790 677759168 /nfs/dbraw/zinc/75/91/68/677759168.db2.gz ZBBLKBWFGBMSES-NXEZZACHSA-N 1 1 318.341 -1.875 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076815507 677759190 /nfs/dbraw/zinc/75/91/90/677759190.db2.gz BMZQYFZXGHFPBP-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076815507 677759194 /nfs/dbraw/zinc/75/91/94/677759194.db2.gz BMZQYFZXGHFPBP-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076811072 677759470 /nfs/dbraw/zinc/75/94/70/677759470.db2.gz XXUIKAPGGBJDOK-GMTAPVOTSA-N 1 1 308.342 -2.282 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076811072 677759474 /nfs/dbraw/zinc/75/94/74/677759474.db2.gz XXUIKAPGGBJDOK-GMTAPVOTSA-N 1 1 308.342 -2.282 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)cn1 ZINC001076810528 677759536 /nfs/dbraw/zinc/75/95/36/677759536.db2.gz KBCLORLKOMLXKM-JHJVBQTASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001076812920 677759610 /nfs/dbraw/zinc/75/96/10/677759610.db2.gz XVRJUUPGJJPXOR-JHJVBQTASA-N 1 1 308.386 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810517 677759834 /nfs/dbraw/zinc/75/98/34/677759834.db2.gz JKBSJNZEMAZGEQ-JHJVBQTASA-N 1 1 311.382 -1.005 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812940 677759859 /nfs/dbraw/zinc/75/98/59/677759859.db2.gz YMNLDBXTKJRJSC-IJLUTSLNSA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076811328 677759867 /nfs/dbraw/zinc/75/98/67/677759867.db2.gz KHVFCUXGYCCUAG-OUAUKWLOSA-N 1 1 309.374 -2.034 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076811327 677759904 /nfs/dbraw/zinc/75/99/04/677759904.db2.gz KHVFCUXGYCCUAG-GMTAPVOTSA-N 1 1 309.374 -2.034 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076830044 677760966 /nfs/dbraw/zinc/76/09/66/677760966.db2.gz KCZWJFSXFSJNKM-VXGBXAGGSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076830044 677760972 /nfs/dbraw/zinc/76/09/72/677760972.db2.gz KCZWJFSXFSJNKM-VXGBXAGGSA-N 1 1 305.342 -1.595 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)nnn1C ZINC001076833060 677760989 /nfs/dbraw/zinc/76/09/89/677760989.db2.gz LYLZDQAMAZRDOR-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001076820063 677761144 /nfs/dbraw/zinc/76/11/44/677761144.db2.gz LKCWNYMRHMTEFC-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001076820063 677761145 /nfs/dbraw/zinc/76/11/45/677761145.db2.gz LKCWNYMRHMTEFC-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001076829185 677761170 /nfs/dbraw/zinc/76/11/70/677761170.db2.gz ZTRZECOTILRFDR-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001076829185 677761173 /nfs/dbraw/zinc/76/11/73/677761173.db2.gz ZTRZECOTILRFDR-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001076834080 677761510 /nfs/dbraw/zinc/76/15/10/677761510.db2.gz DPQMQJORPQXALU-JHJVBQTASA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001076834080 677761513 /nfs/dbraw/zinc/76/15/13/677761513.db2.gz DPQMQJORPQXALU-JHJVBQTASA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001076839015 677761534 /nfs/dbraw/zinc/76/15/34/677761534.db2.gz XCMYVPHNSWDCDL-UTUOFQBUSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001076839015 677761537 /nfs/dbraw/zinc/76/15/37/677761537.db2.gz XCMYVPHNSWDCDL-UTUOFQBUSA-N 1 1 324.385 -1.895 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076834634 677761542 /nfs/dbraw/zinc/76/15/42/677761542.db2.gz ZHHDWGWQBHDJDH-GMTAPVOTSA-N 1 1 300.359 -2.776 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076834634 677761543 /nfs/dbraw/zinc/76/15/43/677761543.db2.gz ZHHDWGWQBHDJDH-GMTAPVOTSA-N 1 1 300.359 -2.776 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076836012 677761580 /nfs/dbraw/zinc/76/15/80/677761580.db2.gz UKOAFZWAWBAGKR-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076836012 677761582 /nfs/dbraw/zinc/76/15/82/677761582.db2.gz UKOAFZWAWBAGKR-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076835847 677761619 /nfs/dbraw/zinc/76/16/19/677761619.db2.gz NYMZGFCFHSVAOE-IJLUTSLNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076835847 677761622 /nfs/dbraw/zinc/76/16/22/677761622.db2.gz NYMZGFCFHSVAOE-IJLUTSLNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)co1 ZINC001076838944 677761800 /nfs/dbraw/zinc/76/18/00/677761800.db2.gz UBYOBLALOBDTPW-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001076838944 677761803 /nfs/dbraw/zinc/76/18/03/677761803.db2.gz UBYOBLALOBDTPW-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)no1 ZINC001076834494 677761841 /nfs/dbraw/zinc/76/18/41/677761841.db2.gz UDOVVGSOOOLPTF-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001076834494 677761845 /nfs/dbraw/zinc/76/18/45/677761845.db2.gz UDOVVGSOOOLPTF-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001076851534 677762335 /nfs/dbraw/zinc/76/23/35/677762335.db2.gz PMHGMKMVGIXXPZ-YUSALJHKSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001076851534 677762337 /nfs/dbraw/zinc/76/23/37/677762337.db2.gz PMHGMKMVGIXXPZ-YUSALJHKSA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001076873652 677763761 /nfs/dbraw/zinc/76/37/61/677763761.db2.gz KCDQSXCUOYKDJE-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001076873652 677763765 /nfs/dbraw/zinc/76/37/65/677763765.db2.gz KCDQSXCUOYKDJE-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001076910231 677766645 /nfs/dbraw/zinc/76/66/45/677766645.db2.gz FEMLCMSHUUQTOX-HBNTYKKESA-N 1 1 311.342 -1.819 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1)OC ZINC001076909437 677766685 /nfs/dbraw/zinc/76/66/85/677766685.db2.gz BWGLHUWCARLPAT-HBNTYKKESA-N 1 1 313.358 -1.430 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076901998 677767042 /nfs/dbraw/zinc/76/70/42/677767042.db2.gz COIWBDFBSARPQH-ZIAGYGMSSA-N 1 1 323.397 -1.623 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)n1cncn1 ZINC001076905849 677767800 /nfs/dbraw/zinc/76/78/00/677767800.db2.gz CSUIDACRBLYSHK-JHJVBQTASA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)n1cncn1 ZINC001076905849 677767806 /nfs/dbraw/zinc/76/78/06/677767806.db2.gz CSUIDACRBLYSHK-JHJVBQTASA-N 1 1 319.369 -1.103 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076925175 677770326 /nfs/dbraw/zinc/77/03/26/677770326.db2.gz XSKLGRVCIWBOIN-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076925175 677770328 /nfs/dbraw/zinc/77/03/28/677770328.db2.gz XSKLGRVCIWBOIN-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076931749 677771403 /nfs/dbraw/zinc/77/14/03/677771403.db2.gz XSDNVSIOEDGHLI-ZIAGYGMSSA-N 1 1 321.381 -1.477 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076931749 677771405 /nfs/dbraw/zinc/77/14/05/677771405.db2.gz XSDNVSIOEDGHLI-ZIAGYGMSSA-N 1 1 321.381 -1.477 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001076963134 677773619 /nfs/dbraw/zinc/77/36/19/677773619.db2.gz BCILNKCHIGKDDO-GHMZBOCLSA-N 1 1 321.341 -1.626 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001076963134 677773624 /nfs/dbraw/zinc/77/36/24/677773624.db2.gz BCILNKCHIGKDDO-GHMZBOCLSA-N 1 1 321.341 -1.626 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001076960834 677774053 /nfs/dbraw/zinc/77/40/53/677774053.db2.gz WROSSPQEIUKVRW-MWLCHTKSSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001076960834 677774055 /nfs/dbraw/zinc/77/40/55/677774055.db2.gz WROSSPQEIUKVRW-MWLCHTKSSA-N 1 1 306.330 -2.118 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076977265 677775155 /nfs/dbraw/zinc/77/51/55/677775155.db2.gz LSOYDBQSJBVVSB-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076977265 677775160 /nfs/dbraw/zinc/77/51/60/677775160.db2.gz LSOYDBQSJBVVSB-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c1=O ZINC001076989879 677776762 /nfs/dbraw/zinc/77/67/62/677776762.db2.gz OFJYMTOXHPJJND-YNEHKIRRSA-N 1 1 309.366 -1.301 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1C ZINC001076987180 677776867 /nfs/dbraw/zinc/77/68/67/677776867.db2.gz FQVKVAWEXBXCOM-CHWSQXEVSA-N 1 1 312.370 -1.395 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC001076987180 677776869 /nfs/dbraw/zinc/77/68/69/677776869.db2.gz FQVKVAWEXBXCOM-CHWSQXEVSA-N 1 1 312.370 -1.395 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076983875 677777004 /nfs/dbraw/zinc/77/70/04/677777004.db2.gz KZBBZJMUVKQHIH-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076983875 677777007 /nfs/dbraw/zinc/77/70/07/677777007.db2.gz KZBBZJMUVKQHIH-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)nn1 ZINC001076984863 677777094 /nfs/dbraw/zinc/77/70/94/677777094.db2.gz HRBQQDTUCYLLBE-CKYFFXLPSA-N 1 1 313.358 -1.920 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076995480 677777551 /nfs/dbraw/zinc/77/75/51/677777551.db2.gz CCMSVIHKBUHBSD-MVWJERBFSA-N 1 1 309.370 -1.302 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994883 677777559 /nfs/dbraw/zinc/77/75/59/677777559.db2.gz ZJIOPRBDEFDIBJ-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076994883 677777560 /nfs/dbraw/zinc/77/75/60/677777560.db2.gz ZJIOPRBDEFDIBJ-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001077001578 677777667 /nfs/dbraw/zinc/77/76/67/677777667.db2.gz APGJLEKJILLZQP-JHJVBQTASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001076994852 677777676 /nfs/dbraw/zinc/77/76/76/677777676.db2.gz YGINCJFYECUJHS-YUSALJHKSA-N 1 1 323.353 -2.084 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001077003848 677778478 /nfs/dbraw/zinc/77/84/78/677778478.db2.gz BGQYTLJEHRFPIL-JHJVBQTASA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077002020 677778542 /nfs/dbraw/zinc/77/85/42/677778542.db2.gz YBGITSOAIBWJLG-QJPTWQEYSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077003907 677778946 /nfs/dbraw/zinc/77/89/46/677778946.db2.gz DVLKDEPZSTYKGQ-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026824 677779394 /nfs/dbraw/zinc/77/93/94/677779394.db2.gz MISZZEWHFGYLHJ-GHMZBOCLSA-N 1 1 324.385 -1.416 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)n1 ZINC001077027041 677779632 /nfs/dbraw/zinc/77/96/32/677779632.db2.gz YYOSBWWAUJJLJP-GHMZBOCLSA-N 1 1 322.369 -1.662 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001077022439 677779694 /nfs/dbraw/zinc/77/96/94/677779694.db2.gz ADLAHFBNILIZKH-AAVRWANBSA-N 1 1 324.425 -1.280 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077042465 677780282 /nfs/dbraw/zinc/78/02/82/677780282.db2.gz IBOUWANUBMQKAV-VXGBXAGGSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077042465 677780287 /nfs/dbraw/zinc/78/02/87/677780287.db2.gz IBOUWANUBMQKAV-VXGBXAGGSA-N 1 1 307.354 -1.185 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077065659 677781457 /nfs/dbraw/zinc/78/14/57/677781457.db2.gz OVANLMBGQKQCCW-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077086127 677782436 /nfs/dbraw/zinc/78/24/36/677782436.db2.gz MCLYKDBDKSODEP-IJLUTSLNSA-N 1 1 313.398 -1.213 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001077092153 677782528 /nfs/dbraw/zinc/78/25/28/677782528.db2.gz GULFFBLONSRPLG-GHMZBOCLSA-N 1 1 310.354 -1.882 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001077092356 677782603 /nfs/dbraw/zinc/78/26/03/677782603.db2.gz QGIDBXYXFARSNS-GHMZBOCLSA-N 1 1 310.354 -1.883 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093287 677782663 /nfs/dbraw/zinc/78/26/63/677782663.db2.gz GYWBHWFAEYXDRZ-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001077092058 677782745 /nfs/dbraw/zinc/78/27/45/677782745.db2.gz BLNCUCFGGQTFOL-VXGBXAGGSA-N 1 1 322.365 -1.882 20 0 DAADMO NC(=O)COc1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC001077088965 677782992 /nfs/dbraw/zinc/78/29/92/677782992.db2.gz SGTHOPQNJAOOJI-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001077088965 677782997 /nfs/dbraw/zinc/78/29/97/677782997.db2.gz SGTHOPQNJAOOJI-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077088692 677783006 /nfs/dbraw/zinc/78/30/06/677783006.db2.gz FRZPLYVAGBCBDD-IJLUTSLNSA-N 1 1 315.370 -2.365 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)nn2c1OCCC2 ZINC001077100335 677783186 /nfs/dbraw/zinc/78/31/86/677783186.db2.gz XZJXTBKBYUQLLJ-GHMZBOCLSA-N 1 1 310.354 -1.259 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn2c1OCCC2 ZINC001077100335 677783189 /nfs/dbraw/zinc/78/31/89/677783189.db2.gz XZJXTBKBYUQLLJ-GHMZBOCLSA-N 1 1 310.354 -1.259 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130494 677785137 /nfs/dbraw/zinc/78/51/37/677785137.db2.gz AVNMZCCNKPSDAS-OUAUKWLOSA-N 1 1 307.354 -1.593 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077126451 677785164 /nfs/dbraw/zinc/78/51/64/677785164.db2.gz AAFRUBZSNPGFSS-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077126451 677785165 /nfs/dbraw/zinc/78/51/65/677785165.db2.gz AAFRUBZSNPGFSS-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO CCc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)[nH]c(C)c1C(N)=O ZINC001077128992 677785197 /nfs/dbraw/zinc/78/51/97/677785197.db2.gz OKZAUCSFUCDOAA-GHMZBOCLSA-N 1 1 324.381 -1.248 20 0 DAADMO CCc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)[nH]c(C)c1C(N)=O ZINC001077128992 677785199 /nfs/dbraw/zinc/78/51/99/677785199.db2.gz OKZAUCSFUCDOAA-GHMZBOCLSA-N 1 1 324.381 -1.248 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140963 677785641 /nfs/dbraw/zinc/78/56/41/677785641.db2.gz NRVUEMXPUXXSPT-CHWSQXEVSA-N 1 1 311.382 -1.027 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CC(N)=O ZINC001077146098 677786016 /nfs/dbraw/zinc/78/60/16/677786016.db2.gz DNLPOFPVWZBTTJ-HBNTYKKESA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CC(N)=O ZINC001077146098 677786017 /nfs/dbraw/zinc/78/60/17/677786017.db2.gz DNLPOFPVWZBTTJ-HBNTYKKESA-N 1 1 314.386 -1.408 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1)OC ZINC001077162420 677788040 /nfs/dbraw/zinc/78/80/40/677788040.db2.gz VBNMMHSJUDSHGX-RAIGVLPGSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077157054 677788097 /nfs/dbraw/zinc/78/80/97/677788097.db2.gz QOOIPDJKCQBMRM-DJLDLDEBSA-N 1 1 302.306 -1.895 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077163116 677788720 /nfs/dbraw/zinc/78/87/20/677788720.db2.gz AULMUOVNGGNWGF-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077163115 677788832 /nfs/dbraw/zinc/78/88/32/677788832.db2.gz AULMUOVNGGNWGF-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)O1 ZINC001083566415 677789238 /nfs/dbraw/zinc/78/92/38/677789238.db2.gz IYTNCVGETKTMSP-CHWFTXMASA-N 1 1 300.359 -2.648 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)O1 ZINC001083566415 677789240 /nfs/dbraw/zinc/78/92/40/677789240.db2.gz IYTNCVGETKTMSP-CHWFTXMASA-N 1 1 300.359 -2.648 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077192329 677790377 /nfs/dbraw/zinc/79/03/77/677790377.db2.gz ZTBOXCTWIHRSCV-FIYWTHMPSA-N 1 1 309.370 -1.136 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001077192329 677790380 /nfs/dbraw/zinc/79/03/80/677790380.db2.gz ZTBOXCTWIHRSCV-FIYWTHMPSA-N 1 1 309.370 -1.136 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001077193653 677790683 /nfs/dbraw/zinc/79/06/83/677790683.db2.gz LURXJIKCJPKUJI-IJLUTSLNSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001077193653 677790687 /nfs/dbraw/zinc/79/06/87/677790687.db2.gz LURXJIKCJPKUJI-IJLUTSLNSA-N 1 1 322.369 -1.892 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077196608 677791104 /nfs/dbraw/zinc/79/11/04/677791104.db2.gz BISDBPDKCHZWCY-DMDPSCGWSA-N 1 1 312.370 -1.315 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001077195734 677791175 /nfs/dbraw/zinc/79/11/75/677791175.db2.gz MBZSGKYIIJSPFV-DGCLKSJQSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077195734 677791177 /nfs/dbraw/zinc/79/11/77/677791177.db2.gz MBZSGKYIIJSPFV-DGCLKSJQSA-N 1 1 312.370 -1.049 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)O1 ZINC001077221087 677792187 /nfs/dbraw/zinc/79/21/87/677792187.db2.gz AELFZYPVSVWJDX-FDYHWXHSSA-N 1 1 301.387 -1.751 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237632 677792478 /nfs/dbraw/zinc/79/24/78/677792478.db2.gz NQFGXZVGGNQVQZ-MGPQQGTHSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001077230814 677792499 /nfs/dbraw/zinc/79/24/99/677792499.db2.gz SXZUTJJUBWIUPJ-HOSYDEDBSA-N 1 1 310.354 -1.431 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237235 677792570 /nfs/dbraw/zinc/79/25/70/677792570.db2.gz CUJKOKURLGTMJO-FRRDWIJNSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001077246398 677792789 /nfs/dbraw/zinc/79/27/89/677792789.db2.gz YKQFWIQWZFNRIX-ZWKOPEQDSA-N 1 1 307.350 -1.059 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001083569177 677792840 /nfs/dbraw/zinc/79/28/40/677792840.db2.gz GFEWEOCWJFHJEQ-PWSUYJOCSA-N 1 1 310.354 -1.429 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001083569382 677793045 /nfs/dbraw/zinc/79/30/45/677793045.db2.gz QVBCIXNMVLDRCY-OLZOCXBDSA-N 1 1 322.365 -1.469 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077253934 677793328 /nfs/dbraw/zinc/79/33/28/677793328.db2.gz DQDGKPKQRFCPGA-VXGBXAGGSA-N 1 1 314.386 -2.432 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264183 677794342 /nfs/dbraw/zinc/79/43/42/677794342.db2.gz HPISANMBGSRMFA-VXGBXAGGSA-N 1 1 311.386 -1.211 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2nccn2C1 ZINC001077259452 677794355 /nfs/dbraw/zinc/79/43/55/677794355.db2.gz RNPQNVNRTAMYIQ-YNEHKIRRSA-N 1 1 308.382 -1.011 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264301 677794449 /nfs/dbraw/zinc/79/44/49/677794449.db2.gz NUHSHQGHFCLMDG-HBNTYKKESA-N 1 1 315.349 -1.509 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264301 677794451 /nfs/dbraw/zinc/79/44/51/677794451.db2.gz NUHSHQGHFCLMDG-HBNTYKKESA-N 1 1 315.349 -1.509 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)c1=O ZINC001077264154 677794748 /nfs/dbraw/zinc/79/47/48/677794748.db2.gz GOLVAWGGOZWYED-VXGBXAGGSA-N 1 1 309.370 -1.457 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264300 677794771 /nfs/dbraw/zinc/79/47/71/677794771.db2.gz NUHSHQGHFCLMDG-GMTAPVOTSA-N 1 1 315.349 -1.509 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264300 677794777 /nfs/dbraw/zinc/79/47/77/677794777.db2.gz NUHSHQGHFCLMDG-GMTAPVOTSA-N 1 1 315.349 -1.509 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001077275064 677795121 /nfs/dbraw/zinc/79/51/21/677795121.db2.gz PTFVIIDGCPGYEU-ZWKOPEQDSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001077275064 677795126 /nfs/dbraw/zinc/79/51/26/677795126.db2.gz PTFVIIDGCPGYEU-ZWKOPEQDSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279257 677795188 /nfs/dbraw/zinc/79/51/88/677795188.db2.gz FAAHSFFAKVIXPO-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279257 677795192 /nfs/dbraw/zinc/79/51/92/677795192.db2.gz FAAHSFFAKVIXPO-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279500 677795382 /nfs/dbraw/zinc/79/53/82/677795382.db2.gz MFKKGUDERAYKQO-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279500 677795384 /nfs/dbraw/zinc/79/53/84/677795384.db2.gz MFKKGUDERAYKQO-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001077266917 677795386 /nfs/dbraw/zinc/79/53/86/677795386.db2.gz PLVRHTOMYVDDNG-GHMZBOCLSA-N 1 1 321.337 -1.179 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077280760 677795607 /nfs/dbraw/zinc/79/56/07/677795607.db2.gz KVBCYNVVNBMQLQ-FRRDWIJNSA-N 1 1 312.414 -1.247 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077280761 677795973 /nfs/dbraw/zinc/79/59/73/677795973.db2.gz KVBCYNVVNBMQLQ-JHJVBQTASA-N 1 1 312.414 -1.247 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297099 677797207 /nfs/dbraw/zinc/79/72/07/677797207.db2.gz UBDIXYDXBUFULO-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297177 677797383 /nfs/dbraw/zinc/79/73/83/677797383.db2.gz WSYBLAJPGAUSMV-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)ccc21 ZINC001083571249 677798742 /nfs/dbraw/zinc/79/87/42/677798742.db2.gz NQJYEHWBZHVDSL-YPMHNXCESA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)ccc21 ZINC001083571249 677798745 /nfs/dbraw/zinc/79/87/45/677798745.db2.gz NQJYEHWBZHVDSL-YPMHNXCESA-N 1 1 305.338 -1.265 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573754 677801333 /nfs/dbraw/zinc/80/13/33/677801333.db2.gz TYHLNHFBKUKZEF-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001077359942 677801869 /nfs/dbraw/zinc/80/18/69/677801869.db2.gz IVTLKKFFEBWURW-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)cc1=O ZINC001077389339 677802385 /nfs/dbraw/zinc/80/23/85/677802385.db2.gz VWJNSKWSFISBKE-MWLCHTKSSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001077389339 677802387 /nfs/dbraw/zinc/80/23/87/677802387.db2.gz VWJNSKWSFISBKE-MWLCHTKSSA-N 1 1 312.322 -1.194 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001077384408 677802441 /nfs/dbraw/zinc/80/24/41/677802441.db2.gz WSGVBBOZFUMHIA-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001077384408 677802445 /nfs/dbraw/zinc/80/24/45/677802445.db2.gz WSGVBBOZFUMHIA-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077393630 677803060 /nfs/dbraw/zinc/80/30/60/677803060.db2.gz BUVKCBWSMRTQIA-GHMZBOCLSA-N 1 1 321.399 -2.434 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394968 677803297 /nfs/dbraw/zinc/80/32/97/677803297.db2.gz MNKHWOQNFIBWST-IJLUTSLNSA-N 1 1 309.370 -1.513 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 ZINC001077410018 677803766 /nfs/dbraw/zinc/80/37/66/677803766.db2.gz VVSVNAJHTZTPRK-RAIGVLPGSA-N 1 1 319.365 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2nncn2CC1 ZINC001077412070 677803790 /nfs/dbraw/zinc/80/37/90/677803790.db2.gz JHJLORKLENWXSC-JHJVBQTASA-N 1 1 323.397 -1.226 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCc2nncn2CC1 ZINC001077412269 677803805 /nfs/dbraw/zinc/80/38/05/677803805.db2.gz SRVKCRXNGOFYRC-QJPTWQEYSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077409866 677804050 /nfs/dbraw/zinc/80/40/50/677804050.db2.gz OOWJVLQKTQNFPH-CHWSQXEVSA-N 1 1 319.365 -1.025 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)co1 ZINC001083580527 677804461 /nfs/dbraw/zinc/80/44/61/677804461.db2.gz JAIDHFAGTGBYLC-BDAKNGLRSA-N 1 1 319.339 -2.306 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)co1 ZINC001083580527 677804463 /nfs/dbraw/zinc/80/44/63/677804463.db2.gz JAIDHFAGTGBYLC-BDAKNGLRSA-N 1 1 319.339 -2.306 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077413468 677804470 /nfs/dbraw/zinc/80/44/70/677804470.db2.gz YRBFLKGBKYBFRB-CKYFFXLPSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCn2cncc2C1 ZINC001083580123 677804480 /nfs/dbraw/zinc/80/44/80/677804480.db2.gz RDZMIGQESDHFBH-YUTCNCBUSA-N 1 1 308.382 -1.011 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001083580732 677804589 /nfs/dbraw/zinc/80/45/89/677804589.db2.gz UMXYIMZSLYASRC-BDAKNGLRSA-N 1 1 303.340 -1.278 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001083580732 677804591 /nfs/dbraw/zinc/80/45/91/677804591.db2.gz UMXYIMZSLYASRC-BDAKNGLRSA-N 1 1 303.340 -1.278 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077413469 677804660 /nfs/dbraw/zinc/80/46/60/677804660.db2.gz YRBFLKGBKYBFRB-HOSYDEDBSA-N 1 1 310.354 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001077422428 677804907 /nfs/dbraw/zinc/80/49/07/677804907.db2.gz XVQFRZLCJHPWIA-GXSJLCMTSA-N 1 1 322.369 -1.116 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083583013 677805321 /nfs/dbraw/zinc/80/53/21/677805321.db2.gz OWGXVOZZJRCWEJ-KGLIPLIRSA-N 1 1 324.425 -1.112 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)c1=O ZINC001083585730 677806164 /nfs/dbraw/zinc/80/61/64/677806164.db2.gz KYBZZFSDEACPRV-NEPJUHHUSA-N 1 1 309.370 -1.457 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083588008 677806277 /nfs/dbraw/zinc/80/62/77/677806277.db2.gz SSYMJGPMQJFGOS-UPJWGTAASA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585663 677806364 /nfs/dbraw/zinc/80/63/64/677806364.db2.gz HTTPZTFFRNXWAU-AXFHLTTASA-N 1 1 315.349 -1.509 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1=O ZINC001083584786 677806429 /nfs/dbraw/zinc/80/64/29/677806429.db2.gz NKCGLMZTGTZFIW-OLZOCXBDSA-N 1 1 310.398 -1.668 20 0 DAADMO O=C(Cn1nnc(-c2ccco2)n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083593772 677807563 /nfs/dbraw/zinc/80/75/63/677807563.db2.gz YHCGCLZLRJAYKS-ZJUUUORDSA-N 1 1 322.325 -1.913 20 0 DAADMO Cn1ncnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038135012 677808304 /nfs/dbraw/zinc/80/83/04/677808304.db2.gz HHFXGQGBYNCRGQ-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038135012 677808306 /nfs/dbraw/zinc/80/83/06/677808306.db2.gz HHFXGQGBYNCRGQ-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042877895 677808759 /nfs/dbraw/zinc/80/87/59/677808759.db2.gz WOEIUSDUZNYLCM-VXGBXAGGSA-N 1 1 313.398 -1.213 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601437 677810019 /nfs/dbraw/zinc/81/00/19/677810019.db2.gz VTMQGABDHZVSEC-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601462 677810073 /nfs/dbraw/zinc/81/00/73/677810073.db2.gz WSYBLAJPGAUSMV-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601440 677810141 /nfs/dbraw/zinc/81/01/41/677810141.db2.gz VTTCXZJQAFXCJB-MXWKQRLJSA-N 1 1 300.359 -2.056 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](O)C1 ZINC001083601813 677810301 /nfs/dbraw/zinc/81/03/01/677810301.db2.gz OMKJCLQJXOPPDQ-SFYZADRCSA-N 1 1 303.340 -1.278 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](O)C1 ZINC001083601813 677810304 /nfs/dbraw/zinc/81/03/04/677810304.db2.gz OMKJCLQJXOPPDQ-SFYZADRCSA-N 1 1 303.340 -1.278 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601438 677810318 /nfs/dbraw/zinc/81/03/18/677810318.db2.gz VTMQGABDHZVSEC-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 ZINC001083605319 677810721 /nfs/dbraw/zinc/81/07/21/677810721.db2.gz RJYHIKDAOJJSDT-JLLWLGSASA-N 1 1 310.354 -1.179 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083609164 677811214 /nfs/dbraw/zinc/81/12/14/677811214.db2.gz HTEXHNAYISVWAC-PWSUYJOCSA-N 1 1 310.354 -1.719 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc3ncnn32)[C@@H](O)C1 ZINC001083610279 677811275 /nfs/dbraw/zinc/81/12/75/677811275.db2.gz MYSVPQYYDYJYAD-FOGDFJRCSA-N 1 1 305.338 -1.115 20 0 DAADMO CN1C(=O)Cc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cc21 ZINC001083610251 677811282 /nfs/dbraw/zinc/81/12/82/677811282.db2.gz LPHUARWJBSOJDW-OCCSQVGLSA-N 1 1 319.361 -1.027 20 0 DAADMO CN1C(=O)Cc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cc21 ZINC001083610251 677811284 /nfs/dbraw/zinc/81/12/84/677811284.db2.gz LPHUARWJBSOJDW-OCCSQVGLSA-N 1 1 319.361 -1.027 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083617637 677812028 /nfs/dbraw/zinc/81/20/28/677812028.db2.gz VOMDLDHPSRRFCD-MJBXVCDLSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083612905 677812175 /nfs/dbraw/zinc/81/21/75/677812175.db2.gz RPNDTRRBCCVDHY-NEPJUHHUSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001077434190 677813830 /nfs/dbraw/zinc/81/38/30/677813830.db2.gz MYPPOMWUINQAJW-HBNTYKKESA-N 1 1 309.326 -2.481 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001077434190 677813833 /nfs/dbraw/zinc/81/38/33/677813833.db2.gz MYPPOMWUINQAJW-HBNTYKKESA-N 1 1 309.326 -2.481 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CNOC1)C[NH+]1CCOCC1 ZINC000911136641 677815001 /nfs/dbraw/zinc/81/50/01/677815001.db2.gz BCFOMOYBNKXTJV-QWRGUYRKSA-N 1 1 300.359 -1.910 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)C[C@@H]1O ZINC001083645090 677815751 /nfs/dbraw/zinc/81/57/51/677815751.db2.gz KPEXHCUCXVRDFC-NEPJUHHUSA-N 1 1 319.369 -1.020 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001083645715 677816139 /nfs/dbraw/zinc/81/61/39/677816139.db2.gz PFMFLDUPCNWVTD-WOPDTQHZSA-N 1 1 307.354 -1.759 20 0 DAADMO O=C(Cn1cnc2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083647678 677816144 /nfs/dbraw/zinc/81/61/44/677816144.db2.gz NAMKPHXSPUIBDP-OCCSQVGLSA-N 1 1 308.382 -1.085 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC2(CS(C)(=O)=O)COC2)C1 ZINC000912260841 677817126 /nfs/dbraw/zinc/81/71/26/677817126.db2.gz VOMKXDLRMDHJAV-ZDUSSCGKSA-N 1 1 320.411 -1.237 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c2ncccc12 ZINC001083660899 677819060 /nfs/dbraw/zinc/81/90/60/677819060.db2.gz XEOJOYLNWGDFPB-OLZOCXBDSA-N 1 1 319.365 -1.107 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)[C@@H](O)C1 ZINC001083663045 677819068 /nfs/dbraw/zinc/81/90/68/677819068.db2.gz USJSCGWAGXCYHN-XQQFMLRXSA-N 1 1 323.397 -1.043 20 0 DAADMO O=C(N[C@@H]1CN(CCO)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654913 677819241 /nfs/dbraw/zinc/81/92/41/677819241.db2.gz MFIXXKVQAPVAJF-DPWYMPPLSA-N 1 1 311.382 -1.997 20 0 DAADMO Cn1cc(-c2oncc2C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cn1 ZINC001077441986 677819286 /nfs/dbraw/zinc/81/92/86/677819286.db2.gz MNCKQMKWZOQMPV-VXGBXAGGSA-N 1 1 321.337 -1.158 20 0 DAADMO Cn1cc(-c2oncc2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001077441986 677819290 /nfs/dbraw/zinc/81/92/90/677819290.db2.gz MNCKQMKWZOQMPV-VXGBXAGGSA-N 1 1 321.337 -1.158 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cn1 ZINC001077441952 677819512 /nfs/dbraw/zinc/81/95/12/677819512.db2.gz LBEFDSUAQHVOFA-VXGBXAGGSA-N 1 1 319.325 -2.176 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(-n2cnnn2)cn1 ZINC001077441952 677819517 /nfs/dbraw/zinc/81/95/17/677819517.db2.gz LBEFDSUAQHVOFA-VXGBXAGGSA-N 1 1 319.325 -2.176 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cn1 ZINC001083667791 677821103 /nfs/dbraw/zinc/82/11/03/677821103.db2.gz LBEFDSUAQHVOFA-NEPJUHHUSA-N 1 1 319.325 -2.176 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cn1 ZINC001083667791 677821106 /nfs/dbraw/zinc/82/11/06/677821106.db2.gz LBEFDSUAQHVOFA-NEPJUHHUSA-N 1 1 319.325 -2.176 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030029824 677825452 /nfs/dbraw/zinc/82/54/52/677825452.db2.gz CHTYCNSRBAYWDC-AXFHLTTASA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030029824 677825456 /nfs/dbraw/zinc/82/54/56/677825456.db2.gz CHTYCNSRBAYWDC-AXFHLTTASA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC000991487132 677826013 /nfs/dbraw/zinc/82/60/13/677826013.db2.gz RRPLTPIONLAWKG-ZYHUDNBSSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC000991487120 677826202 /nfs/dbraw/zinc/82/62/02/677826202.db2.gz RRPLTPIONLAWKG-CMPLNLGQSA-N 1 1 322.369 -1.408 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991489611 677826231 /nfs/dbraw/zinc/82/62/31/677826231.db2.gz WFHYRFBQXIDGEQ-UWVGGRQHSA-N 1 1 309.326 -2.245 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cncc(-n2ccnn2)c1 ZINC001077449126 677826735 /nfs/dbraw/zinc/82/67/35/677826735.db2.gz VNLCZHYFYULROC-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cncc(-n2ccnn2)c1 ZINC001077449126 677826737 /nfs/dbraw/zinc/82/67/37/677826737.db2.gz VNLCZHYFYULROC-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270974 677827260 /nfs/dbraw/zinc/82/72/60/677827260.db2.gz DPCHPKQOQNIUON-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270974 677827262 /nfs/dbraw/zinc/82/72/62/677827262.db2.gz DPCHPKQOQNIUON-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cnco1 ZINC001077475507 677830989 /nfs/dbraw/zinc/83/09/89/677830989.db2.gz DIDYHWYGNMOKJM-QJPTWQEYSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cnco1 ZINC001077475507 677830992 /nfs/dbraw/zinc/83/09/92/677830992.db2.gz DIDYHWYGNMOKJM-QJPTWQEYSA-N 1 1 321.337 -1.293 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)nn1-c1nc[nH]n1 ZINC001077481187 677831580 /nfs/dbraw/zinc/83/15/80/677831580.db2.gz ISDYHILLRVEXPJ-NXEZZACHSA-N 1 1 320.357 -1.123 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008226 677832090 /nfs/dbraw/zinc/83/20/90/677832090.db2.gz PBVRFEOBUFMEGJ-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008226 677832095 /nfs/dbraw/zinc/83/20/95/677832095.db2.gz PBVRFEOBUFMEGJ-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 ZINC001077496308 677832825 /nfs/dbraw/zinc/83/28/25/677832825.db2.gz QGCXTHABQRRAIR-ZLKJLUDKSA-N 1 1 321.377 -1.130 20 0 DAADMO Cn1cnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cnc21 ZINC001077503865 677833372 /nfs/dbraw/zinc/83/33/72/677833372.db2.gz JGBLDMCHJAFJCT-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC001077503865 677833377 /nfs/dbraw/zinc/83/33/77/677833377.db2.gz JGBLDMCHJAFJCT-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077506860 677833924 /nfs/dbraw/zinc/83/39/24/677833924.db2.gz NDRNHGTXQLHBHR-YNEHKIRRSA-N 1 1 321.381 -1.474 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077506860 677833929 /nfs/dbraw/zinc/83/39/29/677833929.db2.gz NDRNHGTXQLHBHR-YNEHKIRRSA-N 1 1 321.381 -1.474 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083684038 677834650 /nfs/dbraw/zinc/83/46/50/677834650.db2.gz CISLMTZXVIBOFG-MNOVXSKESA-N 1 1 321.337 -2.350 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508107 677834656 /nfs/dbraw/zinc/83/46/56/677834656.db2.gz LPOLCHGRWVRFRR-GHMZBOCLSA-N 1 1 300.359 -2.774 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)NC1=O ZINC001077510410 677834696 /nfs/dbraw/zinc/83/46/96/677834696.db2.gz UDPACQIQNKEGOJ-GMTAPVOTSA-N 1 1 323.357 -2.537 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)NC1=O ZINC001077510410 677834699 /nfs/dbraw/zinc/83/46/99/677834699.db2.gz UDPACQIQNKEGOJ-GMTAPVOTSA-N 1 1 323.357 -2.537 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508302 677834770 /nfs/dbraw/zinc/83/47/70/677834770.db2.gz UJVBLWGMROBFND-CHWSQXEVSA-N 1 1 310.398 -1.454 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(-n2cncn2)nc1 ZINC001083685790 677835270 /nfs/dbraw/zinc/83/52/70/677835270.db2.gz MFPUZQSNUWTJED-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2cncn2)nc1 ZINC001083685790 677835274 /nfs/dbraw/zinc/83/52/74/677835274.db2.gz MFPUZQSNUWTJED-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001077511239 677835457 /nfs/dbraw/zinc/83/54/57/677835457.db2.gz FHQVCBMIZVYDGO-CKYFFXLPSA-N 1 1 310.354 -1.063 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001077511240 677835497 /nfs/dbraw/zinc/83/54/97/677835497.db2.gz FHQVCBMIZVYDGO-HOSYDEDBSA-N 1 1 310.354 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512639 677836011 /nfs/dbraw/zinc/83/60/11/677836011.db2.gz KOHCQQBVQVWNCO-YNEHKIRRSA-N 1 1 311.382 -1.290 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1-n1cccc1 ZINC001083687756 677836255 /nfs/dbraw/zinc/83/62/55/677836255.db2.gz JGPBZAINFJZIMX-OLZOCXBDSA-N 1 1 319.365 -1.022 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1-n1cccc1 ZINC001083687756 677836258 /nfs/dbraw/zinc/83/62/58/677836258.db2.gz JGPBZAINFJZIMX-OLZOCXBDSA-N 1 1 319.365 -1.022 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c1C ZINC001083689422 677836280 /nfs/dbraw/zinc/83/62/80/677836280.db2.gz SXETTWQPNVIQDD-AXTRIDKLSA-N 1 1 324.381 -1.447 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697104 677837454 /nfs/dbraw/zinc/83/74/54/677837454.db2.gz GXHGMUXJLNWWBE-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083697151 677837534 /nfs/dbraw/zinc/83/75/34/677837534.db2.gz JQAANCVJGXWAJF-MNOVXSKESA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083697220 677837554 /nfs/dbraw/zinc/83/75/54/677837554.db2.gz MNQZGAGEHSNJJR-OLZOCXBDSA-N 1 1 310.398 -1.620 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695012 677837579 /nfs/dbraw/zinc/83/75/79/677837579.db2.gz DSEMHRVAWJNBRJ-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083697058 677837592 /nfs/dbraw/zinc/83/75/92/677837592.db2.gz DQTQGOYZWKUPKP-OLZOCXBDSA-N 1 1 310.398 -1.620 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695466 677837614 /nfs/dbraw/zinc/83/76/14/677837614.db2.gz BPLRZFJSAKUGOM-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697113 677837797 /nfs/dbraw/zinc/83/77/97/677837797.db2.gz HUNSDYFFVYKFTD-TUAOUCFPSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083697354 677838395 /nfs/dbraw/zinc/83/83/95/677838395.db2.gz SFZHTQCXLAVEDZ-MNOVXSKESA-N 1 1 300.359 -3.038 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698742 677839079 /nfs/dbraw/zinc/83/90/79/677839079.db2.gz UWBCDNGAVHOUKO-UTUOFQBUSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698742 677839081 /nfs/dbraw/zinc/83/90/81/677839081.db2.gz UWBCDNGAVHOUKO-UTUOFQBUSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083699084 677839193 /nfs/dbraw/zinc/83/91/93/677839193.db2.gz KOHCQQBVQVWNCO-UPJWGTAASA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698348 677839206 /nfs/dbraw/zinc/83/92/06/677839206.db2.gz GUEVYXWASWARKT-UPJWGTAASA-N 1 1 311.382 -1.147 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083705937 677841050 /nfs/dbraw/zinc/84/10/50/677841050.db2.gz CUEZGWXKKXVNJR-MNOVXSKESA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083705937 677841053 /nfs/dbraw/zinc/84/10/53/677841053.db2.gz CUEZGWXKKXVNJR-MNOVXSKESA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)n1 ZINC001083706177 677841762 /nfs/dbraw/zinc/84/17/62/677841762.db2.gz OJWKFTKUDNRICC-ZJUUUORDSA-N 1 1 323.382 -1.316 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)n1 ZINC001083706177 677841765 /nfs/dbraw/zinc/84/17/65/677841765.db2.gz OJWKFTKUDNRICC-ZJUUUORDSA-N 1 1 323.382 -1.316 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083708748 677842052 /nfs/dbraw/zinc/84/20/52/677842052.db2.gz JRVPDFUQYWVDRE-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083708748 677842056 /nfs/dbraw/zinc/84/20/56/677842056.db2.gz JRVPDFUQYWVDRE-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1=O ZINC001083708171 677842231 /nfs/dbraw/zinc/84/22/31/677842231.db2.gz NAFDVYQAMQQBJA-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)n1 ZINC001077525346 677843310 /nfs/dbraw/zinc/84/33/10/677843310.db2.gz QZTYLCRWGQGCMC-HBNTYKKESA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)n1 ZINC001077526403 677843798 /nfs/dbraw/zinc/84/37/98/677843798.db2.gz IGGXQDSXBVEWAJ-GMTAPVOTSA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)n1 ZINC001077526403 677843801 /nfs/dbraw/zinc/84/38/01/677843801.db2.gz IGGXQDSXBVEWAJ-GMTAPVOTSA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)n1 ZINC001077526549 677844013 /nfs/dbraw/zinc/84/40/13/677844013.db2.gz OJWKFTKUDNRICC-NXEZZACHSA-N 1 1 323.382 -1.316 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)n1 ZINC001077526549 677844018 /nfs/dbraw/zinc/84/40/18/677844018.db2.gz OJWKFTKUDNRICC-NXEZZACHSA-N 1 1 323.382 -1.316 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083711445 677844636 /nfs/dbraw/zinc/84/46/36/677844636.db2.gz JRENQECRRCFXIG-FHUSYTEZSA-N 1 1 307.354 -1.668 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083711445 677844639 /nfs/dbraw/zinc/84/46/39/677844639.db2.gz JRENQECRRCFXIG-FHUSYTEZSA-N 1 1 307.354 -1.668 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083721231 677847186 /nfs/dbraw/zinc/84/71/86/677847186.db2.gz RTWIWDLNHSVTFK-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083721231 677847188 /nfs/dbraw/zinc/84/71/88/677847188.db2.gz RTWIWDLNHSVTFK-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1=O ZINC001083720270 677847260 /nfs/dbraw/zinc/84/72/60/677847260.db2.gz UAMCVDQSSBDKGO-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1=O ZINC001083720270 677847263 /nfs/dbraw/zinc/84/72/63/677847263.db2.gz UAMCVDQSSBDKGO-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083725759 677848193 /nfs/dbraw/zinc/84/81/93/677848193.db2.gz OABPFVMFFPNTTK-GRYCIOLGSA-N 1 1 314.386 -2.258 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083725759 677848196 /nfs/dbraw/zinc/84/81/96/677848196.db2.gz OABPFVMFFPNTTK-GRYCIOLGSA-N 1 1 314.386 -2.258 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077534768 677849144 /nfs/dbraw/zinc/84/91/44/677849144.db2.gz JRENQECRRCFXIG-MLGHIDQZSA-N 1 1 307.354 -1.668 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077534768 677849149 /nfs/dbraw/zinc/84/91/49/677849149.db2.gz JRENQECRRCFXIG-MLGHIDQZSA-N 1 1 307.354 -1.668 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1C ZINC001083727594 677849891 /nfs/dbraw/zinc/84/98/91/677849891.db2.gz JXIGLJXUMXPDBE-YPMHNXCESA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1C ZINC001083727594 677849896 /nfs/dbraw/zinc/84/98/96/677849896.db2.gz JXIGLJXUMXPDBE-YPMHNXCESA-N 1 1 319.369 -1.205 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 ZINC001083731808 677850501 /nfs/dbraw/zinc/85/05/01/677850501.db2.gz PCIUZHPJKBFGRA-IEBDPFPHSA-N 1 1 320.353 -1.481 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[C@@H](O)C1 ZINC001083730778 677850547 /nfs/dbraw/zinc/85/05/47/677850547.db2.gz QRRBWGNAWRCKJA-XROYCOCOSA-N 1 1 321.337 -1.181 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)CC2 ZINC001083730650 677850594 /nfs/dbraw/zinc/85/05/94/677850594.db2.gz LAMUZTHHPZVBAZ-SUHUHFCYSA-N 1 1 323.397 -1.536 20 0 DAADMO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083730197 677850622 /nfs/dbraw/zinc/85/06/22/677850622.db2.gz RLHYOYRFJPASJN-GDLCADMTSA-N 1 1 308.382 -1.006 20 0 DAADMO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083730197 677850624 /nfs/dbraw/zinc/85/06/24/677850624.db2.gz RLHYOYRFJPASJN-GDLCADMTSA-N 1 1 308.382 -1.006 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734494 677851460 /nfs/dbraw/zinc/85/14/60/677851460.db2.gz IFKWZOLXBZLRFX-RTXFEEFZSA-N 1 1 322.365 -1.029 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)cn1 ZINC001083740704 677852614 /nfs/dbraw/zinc/85/26/14/677852614.db2.gz MCFJMEXAXMCDBP-UTUOFQBUSA-N 1 1 322.369 -2.195 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083741169 677853289 /nfs/dbraw/zinc/85/32/89/677853289.db2.gz ZOVNYQYJAXWQSW-RNJXMRFFSA-N 1 1 310.276 -1.219 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083741169 677853291 /nfs/dbraw/zinc/85/32/91/677853291.db2.gz ZOVNYQYJAXWQSW-RNJXMRFFSA-N 1 1 310.276 -1.219 20 0 DAADMO CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083743758 677853831 /nfs/dbraw/zinc/85/38/31/677853831.db2.gz GKERAEBCIJUBQB-OLZOCXBDSA-N 1 1 306.366 -1.101 20 0 DAADMO CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083743758 677853834 /nfs/dbraw/zinc/85/38/34/677853834.db2.gz GKERAEBCIJUBQB-OLZOCXBDSA-N 1 1 306.366 -1.101 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083743701 677853864 /nfs/dbraw/zinc/85/38/64/677853864.db2.gz DARUSLWPIOUIAE-OLZOCXBDSA-N 1 1 305.334 -1.137 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083743701 677853867 /nfs/dbraw/zinc/85/38/67/677853867.db2.gz DARUSLWPIOUIAE-OLZOCXBDSA-N 1 1 305.334 -1.137 20 0 DAADMO COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083743759 677853904 /nfs/dbraw/zinc/85/39/04/677853904.db2.gz GLGBHGXVAAVJRO-OLZOCXBDSA-N 1 1 323.349 -1.279 20 0 DAADMO COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083743759 677853906 /nfs/dbraw/zinc/85/39/06/677853906.db2.gz GLGBHGXVAAVJRO-OLZOCXBDSA-N 1 1 323.349 -1.279 20 0 DAADMO CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743912 677854472 /nfs/dbraw/zinc/85/44/72/677854472.db2.gz NLLSAQWGQUPKTP-YPMHNXCESA-N 1 1 306.366 -1.101 20 0 DAADMO CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083743912 677854475 /nfs/dbraw/zinc/85/44/75/677854475.db2.gz NLLSAQWGQUPKTP-YPMHNXCESA-N 1 1 306.366 -1.101 20 0 DAADMO CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744608 677854882 /nfs/dbraw/zinc/85/48/82/677854882.db2.gz UNVWHPCYEGRULU-RDBSUJKOSA-N 1 1 321.377 -1.071 20 0 DAADMO CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744608 677854886 /nfs/dbraw/zinc/85/48/86/677854886.db2.gz UNVWHPCYEGRULU-RDBSUJKOSA-N 1 1 321.377 -1.071 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)[nH]c1=O ZINC001083750486 677855843 /nfs/dbraw/zinc/85/58/43/677855843.db2.gz YZSYCMBZEVPWOM-PWSUYJOCSA-N 1 1 320.353 -1.203 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077553217 677858105 /nfs/dbraw/zinc/85/81/05/677858105.db2.gz GPFAPVIWUSEEMO-YNEHKIRRSA-N 1 1 312.414 -1.245 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047449775 677860975 /nfs/dbraw/zinc/86/09/75/677860975.db2.gz KSXJBCBHKPXTLA-IHRRRGAJSA-N 1 1 313.398 -1.259 20 0 DAADMO Cn1cnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nc21 ZINC001083776742 677861623 /nfs/dbraw/zinc/86/16/23/677861623.db2.gz MVOIHNVMCMXJDB-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nc21 ZINC001083776742 677861624 /nfs/dbraw/zinc/86/16/24/677861624.db2.gz MVOIHNVMCMXJDB-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)O1 ZINC001083776056 677861931 /nfs/dbraw/zinc/86/19/31/677861931.db2.gz XXZKJZALQBIYRU-MROQNXINSA-N 1 1 311.382 -1.019 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001083778863 677862450 /nfs/dbraw/zinc/86/24/50/677862450.db2.gz ZZYDQXJCFAWMLM-BNOWGMLFSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001077577612 677862662 /nfs/dbraw/zinc/86/26/62/677862662.db2.gz PCIUZHPJKBFGRA-FBIMIBRVSA-N 1 1 320.353 -1.481 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001083778847 677862790 /nfs/dbraw/zinc/86/27/90/677862790.db2.gz ZQVHYQYZSJIQGK-YUTCNCBUSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781317 677863259 /nfs/dbraw/zinc/86/32/59/677863259.db2.gz BUIYKFPCCGSHBF-UTUOFQBUSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083780788 677863368 /nfs/dbraw/zinc/86/33/68/677863368.db2.gz KJHSQLOLXDANOC-YUTCNCBUSA-N 1 1 324.425 -1.232 20 0 DAADMO Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C2 ZINC001083781291 677863434 /nfs/dbraw/zinc/86/34/34/677863434.db2.gz AZQDBTZUOAJRPH-YUTCNCBUSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)C1 ZINC001083781236 677863546 /nfs/dbraw/zinc/86/35/46/677863546.db2.gz ZEOPISGVXDIOSI-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO CC(=O)N1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001047620533 677864914 /nfs/dbraw/zinc/86/49/14/677864914.db2.gz BWSVOLGBRBNIKT-KBPBESRZSA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCCc2nn[nH]c21 ZINC001077584856 677864944 /nfs/dbraw/zinc/86/49/44/677864944.db2.gz HIRGBYIQKNFJGF-MVWJERBFSA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001077584856 677864947 /nfs/dbraw/zinc/86/49/47/677864947.db2.gz HIRGBYIQKNFJGF-MVWJERBFSA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCCc2n[nH]nc21 ZINC001077584856 677864951 /nfs/dbraw/zinc/86/49/51/677864951.db2.gz HIRGBYIQKNFJGF-MVWJERBFSA-N 1 1 309.370 -1.232 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619607 677864994 /nfs/dbraw/zinc/86/49/94/677864994.db2.gz ROCYCRDWMHWROU-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083783293 677865059 /nfs/dbraw/zinc/86/50/59/677865059.db2.gz KHOFZVKSDBODNH-WQAKAFBOSA-N 1 1 322.365 -1.075 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047620868 677865270 /nfs/dbraw/zinc/86/52/70/677865270.db2.gz WSJJUQUVRXEHSB-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047620868 677865274 /nfs/dbraw/zinc/86/52/74/677865274.db2.gz WSJJUQUVRXEHSB-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586127 677865898 /nfs/dbraw/zinc/86/58/98/677865898.db2.gz IIZWVBLYCHDULV-YUSALJHKSA-N 1 1 308.338 -1.419 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N(C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047640572 677865957 /nfs/dbraw/zinc/86/59/57/677865957.db2.gz TXUHTAIBUBYXMA-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599082 677867000 /nfs/dbraw/zinc/86/70/00/677867000.db2.gz NBFZDBWONZKAQE-GMTAPVOTSA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599082 677867002 /nfs/dbraw/zinc/86/70/02/677867002.db2.gz NBFZDBWONZKAQE-GMTAPVOTSA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599539 677867527 /nfs/dbraw/zinc/86/75/27/677867527.db2.gz ZOVNYQYJAXWQSW-BWZBUEFSSA-N 1 1 310.276 -1.219 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599539 677867530 /nfs/dbraw/zinc/86/75/30/677867530.db2.gz ZOVNYQYJAXWQSW-BWZBUEFSSA-N 1 1 310.276 -1.219 20 0 DAADMO Cn1nnc2cc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)C(N)=O)C3)ccc21 ZINC001077604051 677868287 /nfs/dbraw/zinc/86/82/87/677868287.db2.gz XWZRWNSRZQKXQS-ZYHUDNBSSA-N 1 1 318.337 -1.885 20 0 DAADMO Cn1nnc2cc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)C(N)=O)C3)ccc21 ZINC001077604051 677868292 /nfs/dbraw/zinc/86/82/92/677868292.db2.gz XWZRWNSRZQKXQS-ZYHUDNBSSA-N 1 1 318.337 -1.885 20 0 DAADMO CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077606112 677868448 /nfs/dbraw/zinc/86/84/48/677868448.db2.gz UNVWHPCYEGRULU-HZSPNIEDSA-N 1 1 321.377 -1.071 20 0 DAADMO CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077606112 677868453 /nfs/dbraw/zinc/86/84/53/677868453.db2.gz UNVWHPCYEGRULU-HZSPNIEDSA-N 1 1 321.377 -1.071 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001077650870 677871585 /nfs/dbraw/zinc/87/15/85/677871585.db2.gz FOMPCAYONIZPSU-HTQZYQBOSA-N 1 1 303.344 -2.148 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)O1 ZINC001077668562 677872414 /nfs/dbraw/zinc/87/24/14/677872414.db2.gz FOSIMERXSVDMFI-FVCCEPFGSA-N 1 1 311.382 -1.019 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001077675376 677872653 /nfs/dbraw/zinc/87/26/53/677872653.db2.gz LJXKDVCQTBZQAQ-YNEHKIRRSA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001077677086 677872691 /nfs/dbraw/zinc/87/26/91/677872691.db2.gz WZZCSFSUSDEWMA-QJPTWQEYSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077675505 677872734 /nfs/dbraw/zinc/87/27/34/677872734.db2.gz PIAVAAOLJUAHML-MRVWCRGKSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077679302 677872844 /nfs/dbraw/zinc/87/28/44/677872844.db2.gz NMGRYKYCFASFKR-MGPQQGTHSA-N 1 1 322.413 -1.219 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077677796 677872876 /nfs/dbraw/zinc/87/28/76/677872876.db2.gz BUIYKFPCCGSHBF-IJLUTSLNSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077675839 677872884 /nfs/dbraw/zinc/87/28/84/677872884.db2.gz ZZYDQXJCFAWMLM-IACUBPJLSA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1cnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nc21 ZINC001077671975 677872901 /nfs/dbraw/zinc/87/29/01/677872901.db2.gz MVOIHNVMCMXJDB-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nc21 ZINC001077671975 677872905 /nfs/dbraw/zinc/87/29/05/677872905.db2.gz MVOIHNVMCMXJDB-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)C1 ZINC001077679043 677873054 /nfs/dbraw/zinc/87/30/54/677873054.db2.gz FRRDSEWTBMKIJO-IJLUTSLNSA-N 1 1 323.401 -1.787 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc(N2CCCC2)ncn1 ZINC001077678963 677873285 /nfs/dbraw/zinc/87/32/85/677873285.db2.gz CSPZCDKQPDGUTL-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(N2CCCC2)ncn1 ZINC001077678963 677873287 /nfs/dbraw/zinc/87/32/87/677873287.db2.gz CSPZCDKQPDGUTL-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686309 677873905 /nfs/dbraw/zinc/87/39/05/677873905.db2.gz HFTPOHRTIHIDGX-YVECIDJPSA-N 1 1 321.381 -1.489 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686309 677873909 /nfs/dbraw/zinc/87/39/09/677873909.db2.gz HFTPOHRTIHIDGX-YVECIDJPSA-N 1 1 321.381 -1.489 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077682990 677873916 /nfs/dbraw/zinc/87/39/16/677873916.db2.gz UMGFMVCWUDUCIQ-WRWGMCAJSA-N 1 1 307.354 -1.834 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077682990 677873919 /nfs/dbraw/zinc/87/39/19/677873919.db2.gz UMGFMVCWUDUCIQ-WRWGMCAJSA-N 1 1 307.354 -1.834 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001077687270 677874226 /nfs/dbraw/zinc/87/42/26/677874226.db2.gz HVWDBENPPLDJLF-ZKYQVNSYSA-N 1 1 323.397 -1.301 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC001083785561 677874432 /nfs/dbraw/zinc/87/44/32/677874432.db2.gz HVWDBENPPLDJLF-SUHUHFCYSA-N 1 1 323.397 -1.301 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689436 677874459 /nfs/dbraw/zinc/87/44/59/677874459.db2.gz MBEBVEFKZYIXBQ-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077696370 677874906 /nfs/dbraw/zinc/87/49/06/677874906.db2.gz VCIDCZZYDFPBEJ-LPWJVIDDSA-N 1 1 309.370 -1.136 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077696370 677874907 /nfs/dbraw/zinc/87/49/07/677874907.db2.gz VCIDCZZYDFPBEJ-LPWJVIDDSA-N 1 1 309.370 -1.136 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083785864 677875242 /nfs/dbraw/zinc/87/52/42/677875242.db2.gz WZFKWFCHTIQHDO-YPMHNXCESA-N 1 1 309.370 -1.690 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)ncc1C(N)=O ZINC001077704256 677875548 /nfs/dbraw/zinc/87/55/48/677875548.db2.gz KERSNJZKDRPTEP-OASPWFOLSA-N 1 1 322.365 -1.355 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077707767 677875613 /nfs/dbraw/zinc/87/56/13/677875613.db2.gz ZQLWUZCQZCYYLJ-GHMZBOCLSA-N 1 1 310.354 -1.882 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077707767 677875617 /nfs/dbraw/zinc/87/56/17/677875617.db2.gz ZQLWUZCQZCYYLJ-GHMZBOCLSA-N 1 1 310.354 -1.882 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)ncc1C(N)=O ZINC001077704257 677875709 /nfs/dbraw/zinc/87/57/09/677875709.db2.gz KERSNJZKDRPTEP-ZWKOPEQDSA-N 1 1 322.365 -1.355 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077707412 677875722 /nfs/dbraw/zinc/87/57/22/677875722.db2.gz GRSKRYCTLZRKHX-MVWJERBFSA-N 1 1 324.381 -1.493 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccnnc1 ZINC001077728801 677876395 /nfs/dbraw/zinc/87/63/95/677876395.db2.gz SFQGVYWZFWSGTF-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccnnc1 ZINC001077728801 677876399 /nfs/dbraw/zinc/87/63/99/677876399.db2.gz SFQGVYWZFWSGTF-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CC12CC2 ZINC001077731849 677877363 /nfs/dbraw/zinc/87/73/63/677877363.db2.gz PRMWRCGVGYSBPU-IJLUTSLNSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CC12CC2 ZINC001077731849 677877366 /nfs/dbraw/zinc/87/73/66/677877366.db2.gz PRMWRCGVGYSBPU-IJLUTSLNSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CC12CC2 ZINC001077731850 677877523 /nfs/dbraw/zinc/87/75/23/677877523.db2.gz PRMWRCGVGYSBPU-QJPTWQEYSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CC12CC2 ZINC001077731850 677877527 /nfs/dbraw/zinc/87/75/27/677877527.db2.gz PRMWRCGVGYSBPU-QJPTWQEYSA-N 1 1 308.382 -1.027 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753802 677878594 /nfs/dbraw/zinc/87/85/94/677878594.db2.gz YWLZJFSKWSLANF-DJLDLDEBSA-N 1 1 300.315 -2.608 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001077752036 677879036 /nfs/dbraw/zinc/87/90/36/677879036.db2.gz TXKMYGMPAJJXRE-GARJFASQSA-N 1 1 311.386 -1.227 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001077772953 677880585 /nfs/dbraw/zinc/88/05/85/677880585.db2.gz OWBMGIIMQRWNDX-RKDXNWHRSA-N 1 1 312.326 -2.022 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001077771753 677880632 /nfs/dbraw/zinc/88/06/32/677880632.db2.gz CRPGJZJFIHTFJI-ZYHUDNBSSA-N 1 1 320.353 -1.538 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077805307 677881989 /nfs/dbraw/zinc/88/19/89/677881989.db2.gz AONGDRFNGWZEPV-GMTAPVOTSA-N 1 1 312.374 -1.661 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cccnn32)C1 ZINC001077797839 677882047 /nfs/dbraw/zinc/88/20/47/677882047.db2.gz KPNJAAFPGZVROL-CKYFFXLPSA-N 1 1 305.338 -1.115 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001077804773 677882131 /nfs/dbraw/zinc/88/21/31/677882131.db2.gz QHCLQHAGPRWERK-GHMZBOCLSA-N 1 1 312.374 -1.396 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077810913 677882768 /nfs/dbraw/zinc/88/27/68/677882768.db2.gz UXEIQEYVEJFRSZ-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077810913 677882769 /nfs/dbraw/zinc/88/27/69/677882769.db2.gz UXEIQEYVEJFRSZ-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040448232 677883158 /nfs/dbraw/zinc/88/31/58/677883158.db2.gz XUYGNMDXMARRSS-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077820927 677884710 /nfs/dbraw/zinc/88/47/10/677884710.db2.gz QTAKTZZAOYUVTA-GMTAPVOTSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077820927 677884712 /nfs/dbraw/zinc/88/47/12/677884712.db2.gz QTAKTZZAOYUVTA-GMTAPVOTSA-N 1 1 321.399 -2.172 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)S1(=O)=O ZINC001077820635 677884852 /nfs/dbraw/zinc/88/48/52/677884852.db2.gz CVVYUPBLHRKVJF-GMTAPVOTSA-N 1 1 321.399 -2.436 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)S1(=O)=O ZINC001077820635 677884855 /nfs/dbraw/zinc/88/48/55/677884855.db2.gz CVVYUPBLHRKVJF-GMTAPVOTSA-N 1 1 321.399 -2.436 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077821104 677884881 /nfs/dbraw/zinc/88/48/81/677884881.db2.gz ZGSBGVOLGHYSKC-IJLUTSLNSA-N 1 1 319.427 -1.162 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077820626 677885024 /nfs/dbraw/zinc/88/50/24/677885024.db2.gz CLDPIHLOIIJMEJ-MXWKQRLJSA-N 1 1 305.400 -1.410 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679087 677886046 /nfs/dbraw/zinc/88/60/46/677886046.db2.gz PNRNIFZLQUFMBR-RYUDHWBXSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679085 677886326 /nfs/dbraw/zinc/88/63/26/677886326.db2.gz PNRNIFZLQUFMBR-NEPJUHHUSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001077830427 677886877 /nfs/dbraw/zinc/88/68/77/677886877.db2.gz QEUHZSCGJRFVFZ-MVWJERBFSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833632 677887212 /nfs/dbraw/zinc/88/72/12/677887212.db2.gz TWFIKDIMWACSAC-FBIMIBRVSA-N 1 1 315.345 -1.051 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999229749 677888256 /nfs/dbraw/zinc/88/82/56/677888256.db2.gz WVRNJLACEQEQNH-UDNWOFFPSA-N 1 1 307.358 -1.575 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)S1(=O)=O ZINC001032676950 677888706 /nfs/dbraw/zinc/88/87/06/677888706.db2.gz KEHHTYGTHINVDJ-SRVKXCTJSA-N 1 1 317.411 -1.312 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)S1(=O)=O ZINC001032676950 677888711 /nfs/dbraw/zinc/88/87/11/677888711.db2.gz KEHHTYGTHINVDJ-SRVKXCTJSA-N 1 1 317.411 -1.312 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001032677037 677889002 /nfs/dbraw/zinc/88/90/02/677889002.db2.gz ONWXPQPSYLBRKP-SRVKXCTJSA-N 1 1 317.411 -1.048 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001032677037 677889006 /nfs/dbraw/zinc/88/90/06/677889006.db2.gz ONWXPQPSYLBRKP-SRVKXCTJSA-N 1 1 317.411 -1.048 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000999574303 677890073 /nfs/dbraw/zinc/89/00/73/677890073.db2.gz USWYPVKPGBVMHT-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000999345475 677890504 /nfs/dbraw/zinc/89/05/04/677890504.db2.gz XUKYRCJOTOJPGO-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000999890178 677892521 /nfs/dbraw/zinc/89/25/21/677892521.db2.gz LGRXQEGIIYUODU-WDEREUQCSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000999890758 677892553 /nfs/dbraw/zinc/89/25/53/677892553.db2.gz IUHAKUXSBGASTC-HZMBPMFUSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001077840761 677892864 /nfs/dbraw/zinc/89/28/64/677892864.db2.gz LKDBLQCAWFBPDI-JHJVBQTASA-N 1 1 315.414 -1.361 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000999862428 677892977 /nfs/dbraw/zinc/89/29/77/677892977.db2.gz DXXRKWKQDILCHF-KOLCDFICSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000999862434 677892986 /nfs/dbraw/zinc/89/29/86/677892986.db2.gz DXXRKWKQDILCHF-ONGXEEELSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000999862423 677893194 /nfs/dbraw/zinc/89/31/94/677893194.db2.gz DXXRKWKQDILCHF-GXSJLCMTSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001077840762 677893449 /nfs/dbraw/zinc/89/34/49/677893449.db2.gz LKDBLQCAWFBPDI-YNEHKIRRSA-N 1 1 315.414 -1.361 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867654 677894160 /nfs/dbraw/zinc/89/41/60/677894160.db2.gz XUOGYNOKEOXUCK-NXEZZACHSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867654 677894161 /nfs/dbraw/zinc/89/41/61/677894161.db2.gz XUOGYNOKEOXUCK-NXEZZACHSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853718 677894558 /nfs/dbraw/zinc/89/45/58/677894558.db2.gz WQUXQIHJVXMIGE-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1[nH]ncc1Br ZINC001077855795 677894654 /nfs/dbraw/zinc/89/46/54/677894654.db2.gz OVTCHBVRQBJXHS-HTQZYQBOSA-N 1 1 319.159 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1[nH]ncc1Br ZINC001077855795 677894657 /nfs/dbraw/zinc/89/46/57/677894657.db2.gz OVTCHBVRQBJXHS-HTQZYQBOSA-N 1 1 319.159 -1.061 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001077875803 677895081 /nfs/dbraw/zinc/89/50/81/677895081.db2.gz UKHMYFBJCXTZMU-MVWJERBFSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001077875803 677895082 /nfs/dbraw/zinc/89/50/82/677895082.db2.gz UKHMYFBJCXTZMU-MVWJERBFSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032724432 677896929 /nfs/dbraw/zinc/89/69/29/677896929.db2.gz UMTSXFGQXMJSKJ-DCAQKATOSA-N 1 1 304.354 -1.089 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032724370 677896982 /nfs/dbraw/zinc/89/69/82/677896982.db2.gz SILDGDLEMRESTP-QWRGUYRKSA-N 1 1 319.369 -1.343 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032724370 677896984 /nfs/dbraw/zinc/89/69/84/677896984.db2.gz SILDGDLEMRESTP-QWRGUYRKSA-N 1 1 319.369 -1.343 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032724433 677897304 /nfs/dbraw/zinc/89/73/04/677897304.db2.gz UMTSXFGQXMJSKJ-GARJFASQSA-N 1 1 304.354 -1.089 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077901003 677897695 /nfs/dbraw/zinc/89/76/95/677897695.db2.gz XCBGMGAHFYINTG-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)c1 ZINC001077900985 677897864 /nfs/dbraw/zinc/89/78/64/677897864.db2.gz WIEUNKBRQOZGPU-OASPWFOLSA-N 1 1 322.365 -1.075 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077900498 677897930 /nfs/dbraw/zinc/89/79/30/677897930.db2.gz BMZZOTQMCYTLFC-GRYCIOLGSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077900498 677897934 /nfs/dbraw/zinc/89/79/34/677897934.db2.gz BMZZOTQMCYTLFC-GRYCIOLGSA-N 1 1 321.381 -1.266 20 0 DAADMO Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077915780 677898956 /nfs/dbraw/zinc/89/89/56/677898956.db2.gz RKJWTFGIWMFOGV-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077915780 677898957 /nfs/dbraw/zinc/89/89/57/677898957.db2.gz RKJWTFGIWMFOGV-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077918938 677899155 /nfs/dbraw/zinc/89/91/55/677899155.db2.gz LNDSLBGKEYIBSG-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077918938 677899156 /nfs/dbraw/zinc/89/91/56/677899156.db2.gz LNDSLBGKEYIBSG-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077956158 677900010 /nfs/dbraw/zinc/90/00/10/677900010.db2.gz SOLKDFSWAFZDAM-OPRDCNLKSA-N 1 1 314.342 -2.530 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077956061 677900067 /nfs/dbraw/zinc/90/00/67/677900067.db2.gz NNDFYFNNCWNIJV-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077953643 677900236 /nfs/dbraw/zinc/90/02/36/677900236.db2.gz IJYQRIBOUJXJAN-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077955152 677900304 /nfs/dbraw/zinc/90/03/04/677900304.db2.gz YBCJNTJONUFAQK-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001077963518 677900726 /nfs/dbraw/zinc/90/07/26/677900726.db2.gz VJORWEUMGBJDRC-WDEREUQCSA-N 1 1 314.386 -1.408 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc(Cn2cccn2)on1 ZINC001077966753 677900803 /nfs/dbraw/zinc/90/08/03/677900803.db2.gz GDUCIMQIRYDSJJ-CHWSQXEVSA-N 1 1 321.337 -1.313 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(Cn2cccn2)on1 ZINC001077966753 677900805 /nfs/dbraw/zinc/90/08/05/677900805.db2.gz GDUCIMQIRYDSJJ-CHWSQXEVSA-N 1 1 321.337 -1.313 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001077959987 677900874 /nfs/dbraw/zinc/90/08/74/677900874.db2.gz BQGYETSFEJPQIZ-GHMZBOCLSA-N 1 1 309.370 -1.438 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3O)n2n1 ZINC001077994707 677902237 /nfs/dbraw/zinc/90/22/37/677902237.db2.gz WGLWBENBGUJQFX-HLUHBDAQSA-N 1 1 320.353 -1.412 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077981368 677902459 /nfs/dbraw/zinc/90/24/59/677902459.db2.gz KRMQALWSSAUREX-OUAUKWLOSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077981368 677902462 /nfs/dbraw/zinc/90/24/62/677902462.db2.gz KRMQALWSSAUREX-OUAUKWLOSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077981587 677902484 /nfs/dbraw/zinc/90/24/84/677902484.db2.gz TVGWPMLZWYLDPG-IJLUTSLNSA-N 1 1 314.386 -1.537 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078007111 677902933 /nfs/dbraw/zinc/90/29/33/677902933.db2.gz KGTJRUWBVAIANJ-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078007111 677902936 /nfs/dbraw/zinc/90/29/36/677902936.db2.gz KGTJRUWBVAIANJ-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001077999695 677903328 /nfs/dbraw/zinc/90/33/28/677903328.db2.gz VYMUTVADTYATGL-SZEHBUNVSA-N 1 1 322.325 -2.427 20 0 DAADMO CN1CCCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1=O ZINC001077995929 677903352 /nfs/dbraw/zinc/90/33/52/677903352.db2.gz YKNWTVMDNCSTEW-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001077999513 677903506 /nfs/dbraw/zinc/90/35/06/677903506.db2.gz NSTDNGUVBDBLPK-NXEZZACHSA-N 1 1 322.325 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001077995928 677903525 /nfs/dbraw/zinc/90/35/25/677903525.db2.gz YGLUJEFPEVAEKB-GHMZBOCLSA-N 1 1 321.337 -1.408 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078006174 677904272 /nfs/dbraw/zinc/90/42/72/677904272.db2.gz VERPEJRYIRQCDC-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006280 677904331 /nfs/dbraw/zinc/90/43/31/677904331.db2.gz YIOPVHOAYXHKRC-JHJVBQTASA-N 1 1 322.413 -1.182 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006101 677904371 /nfs/dbraw/zinc/90/43/71/677904371.db2.gz SCZRJYSAXRBRKY-YNEHKIRRSA-N 1 1 312.414 -1.422 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078005724 677904410 /nfs/dbraw/zinc/90/44/10/677904410.db2.gz HBFXJJKKRBTWLC-IACUBPJLSA-N 1 1 324.425 -1.232 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006295 677904538 /nfs/dbraw/zinc/90/45/38/677904538.db2.gz YRIFFONFFGRPOG-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005845 677904670 /nfs/dbraw/zinc/90/46/70/677904670.db2.gz KSPCTBVNKCZGJM-QJPTWQEYSA-N 1 1 323.401 -1.787 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001078014423 677904950 /nfs/dbraw/zinc/90/49/50/677904950.db2.gz YKNPSGGRZMSEBT-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001078014423 677904957 /nfs/dbraw/zinc/90/49/57/677904957.db2.gz YKNPSGGRZMSEBT-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782162 677905244 /nfs/dbraw/zinc/90/52/44/677905244.db2.gz WQZADYUAJDLWMB-SRVKXCTJSA-N 1 1 305.386 -1.053 20 0 DAADMO Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001032782259 677905291 /nfs/dbraw/zinc/90/52/91/677905291.db2.gz ZPMWIDDSZNMMLR-WOPDTQHZSA-N 1 1 320.397 -1.155 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cn1 ZINC001078021735 677905651 /nfs/dbraw/zinc/90/56/51/677905651.db2.gz IYVYHMPETYSZEP-ZWKOPEQDSA-N 1 1 322.365 -1.403 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)cn1 ZINC001078022115 677905693 /nfs/dbraw/zinc/90/56/93/677905693.db2.gz UUVRUNOIXHGTGB-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)cn1 ZINC001078022115 677905695 /nfs/dbraw/zinc/90/56/95/677905695.db2.gz UUVRUNOIXHGTGB-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC001078028041 677905699 /nfs/dbraw/zinc/90/56/99/677905699.db2.gz WEOMYLIHXMOGPO-VXGBXAGGSA-N 1 1 319.317 -1.663 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC001078028041 677905701 /nfs/dbraw/zinc/90/57/01/677905701.db2.gz WEOMYLIHXMOGPO-VXGBXAGGSA-N 1 1 319.317 -1.663 20 0 DAADMO Cc1ccn2ncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)c2n1 ZINC001078022194 677905759 /nfs/dbraw/zinc/90/57/59/677905759.db2.gz YPKSORSQRPKRSS-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1ccn2ncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)c2n1 ZINC001078022194 677905760 /nfs/dbraw/zinc/90/57/60/677905760.db2.gz YPKSORSQRPKRSS-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(CN1Cc2ccccc2C1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078028944 677905894 /nfs/dbraw/zinc/90/58/94/677905894.db2.gz BLZRIARFZVQHOQ-ZIAGYGMSSA-N 1 1 319.361 -1.204 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078035892 677906299 /nfs/dbraw/zinc/90/62/99/677906299.db2.gz WOCUEYUWKWSZMQ-YNEHKIRRSA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034604 677906419 /nfs/dbraw/zinc/90/64/19/677906419.db2.gz NTIHRRQOMFFZLH-QJPTWQEYSA-N 1 1 324.381 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034604 677906421 /nfs/dbraw/zinc/90/64/21/677906421.db2.gz NTIHRRQOMFFZLH-QJPTWQEYSA-N 1 1 324.381 -1.951 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001078098807 677909014 /nfs/dbraw/zinc/90/90/14/677909014.db2.gz GFFALXBIQPUQRB-CHWSQXEVSA-N 1 1 322.365 -1.402 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001078092853 677909213 /nfs/dbraw/zinc/90/92/13/677909213.db2.gz VSDFESHYIBKVIS-GXSJLCMTSA-N 1 1 322.369 -1.116 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)c(=O)n1C ZINC001078105932 677909496 /nfs/dbraw/zinc/90/94/96/677909496.db2.gz YUPILVVVDMXKCR-VXGBXAGGSA-N 1 1 311.386 -1.292 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078104603 677909685 /nfs/dbraw/zinc/90/96/85/677909685.db2.gz NPUVDYRJYCBTCP-JHJVBQTASA-N 1 1 315.370 -2.223 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001078101005 677909795 /nfs/dbraw/zinc/90/97/95/677909795.db2.gz WXKCYBFUPOFVFS-GHMZBOCLSA-N 1 1 313.358 -2.302 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078104604 677909803 /nfs/dbraw/zinc/90/98/03/677909803.db2.gz NPUVDYRJYCBTCP-UPJWGTAASA-N 1 1 315.370 -2.223 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078122638 677912328 /nfs/dbraw/zinc/91/23/28/677912328.db2.gz KCEGPJKREBLBAU-QWRGUYRKSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078122638 677912330 /nfs/dbraw/zinc/91/23/30/677912330.db2.gz KCEGPJKREBLBAU-QWRGUYRKSA-N 1 1 314.386 -1.408 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078134249 677912596 /nfs/dbraw/zinc/91/25/96/677912596.db2.gz OKTXYCJPSQTHTB-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)ccc1=O ZINC001078134199 677912742 /nfs/dbraw/zinc/91/27/42/677912742.db2.gz MIPCXWCDZUVLMD-CYZMBNFOSA-N 1 1 322.365 -1.408 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1COc2ccccc2O1 ZINC001078123076 677912934 /nfs/dbraw/zinc/91/29/34/677912934.db2.gz BTSJZWDUZLNNFF-JTNHKYCSSA-N 1 1 308.334 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1COc2ccccc2O1 ZINC001078123076 677912937 /nfs/dbraw/zinc/91/29/37/677912937.db2.gz BTSJZWDUZLNNFF-JTNHKYCSSA-N 1 1 308.334 -1.020 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1=O ZINC001078141137 677913319 /nfs/dbraw/zinc/91/33/19/677913319.db2.gz NXXQLDSGOILECN-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1=O ZINC001078141137 677913322 /nfs/dbraw/zinc/91/33/22/677913322.db2.gz NXXQLDSGOILECN-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001078140956 677913347 /nfs/dbraw/zinc/91/33/47/677913347.db2.gz GMDDDECNBWZYSE-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078135917 677913631 /nfs/dbraw/zinc/91/36/31/677913631.db2.gz XFOSWUUYDSHSHJ-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144254 677914003 /nfs/dbraw/zinc/91/40/03/677914003.db2.gz GVZBLFAIFHBKBI-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144568 677914082 /nfs/dbraw/zinc/91/40/82/677914082.db2.gz WCJAEBHJCJMXPB-NXEZZACHSA-N 1 1 314.342 -2.312 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001078142220 677914244 /nfs/dbraw/zinc/91/42/44/677914244.db2.gz NDYHUJWPIRBUOM-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1=O ZINC001078144339 677914283 /nfs/dbraw/zinc/91/42/83/677914283.db2.gz KLOBNEBETWLJSL-RKDXNWHRSA-N 1 1 300.315 -2.966 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146639 677914718 /nfs/dbraw/zinc/91/47/18/677914718.db2.gz RUSHNVKJHKNKPL-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150545 677914863 /nfs/dbraw/zinc/91/48/63/677914863.db2.gz FIORMNYLJWXCDK-DJLDLDEBSA-N 1 1 309.326 -2.269 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150545 677914867 /nfs/dbraw/zinc/91/48/67/677914867.db2.gz FIORMNYLJWXCDK-DJLDLDEBSA-N 1 1 309.326 -2.269 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146340 677914897 /nfs/dbraw/zinc/91/48/97/677914897.db2.gz BVPSSFKCOPGPOR-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 ZINC001078146856 677915029 /nfs/dbraw/zinc/91/50/29/677915029.db2.gz DUZGTODNOWNMEY-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)CC1 ZINC001078154291 677915082 /nfs/dbraw/zinc/91/50/82/677915082.db2.gz UVKVMKHJJNQKRE-LERXQTSPSA-N 1 1 313.398 -1.213 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)ccc1=O ZINC001078160224 677915699 /nfs/dbraw/zinc/91/56/99/677915699.db2.gz PORSYPWYSDXZPR-CYZMBNFOSA-N 1 1 324.381 -1.191 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001078165221 677916019 /nfs/dbraw/zinc/91/60/19/677916019.db2.gz WWIFMQYGGSWGDR-GMTAPVOTSA-N 1 1 315.395 -1.240 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)[nH]c1=O ZINC001078167854 677916123 /nfs/dbraw/zinc/91/61/23/677916123.db2.gz TXOCUJLHPFUVPX-NXEZZACHSA-N 1 1 312.326 -2.357 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001078170963 677916316 /nfs/dbraw/zinc/91/63/16/677916316.db2.gz LEQLBBSWVIGDEV-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001078170963 677916319 /nfs/dbraw/zinc/91/63/19/677916319.db2.gz LEQLBBSWVIGDEV-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001078171132 677916341 /nfs/dbraw/zinc/91/63/41/677916341.db2.gz SWJKCBRXCANMBI-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001078171132 677916345 /nfs/dbraw/zinc/91/63/45/677916345.db2.gz SWJKCBRXCANMBI-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174335 677916867 /nfs/dbraw/zinc/91/68/67/677916867.db2.gz INOZLGCRIXTUHU-HBNTYKKESA-N 1 1 309.374 -2.177 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078174784 677916897 /nfs/dbraw/zinc/91/68/97/677916897.db2.gz SCBUMCONNABHRZ-CYZMBNFOSA-N 1 1 308.386 -1.572 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174751 677916975 /nfs/dbraw/zinc/91/69/75/677916975.db2.gz REIMSKFMANOXKH-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001078183351 677917014 /nfs/dbraw/zinc/91/70/14/677917014.db2.gz MZJOIVNBEOGWJX-GHMZBOCLSA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001078183206 677917347 /nfs/dbraw/zinc/91/73/47/677917347.db2.gz FRBVQYOXYUKOPR-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001078183510 677917423 /nfs/dbraw/zinc/91/74/23/677917423.db2.gz UXTRQPNEPNLGLO-CHWSQXEVSA-N 1 1 321.381 -1.369 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193395 677917754 /nfs/dbraw/zinc/91/77/54/677917754.db2.gz PLLNGJWVUGDQNQ-QJPTWQEYSA-N 1 1 317.411 -1.194 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001078183553 677917956 /nfs/dbraw/zinc/91/79/56/677917956.db2.gz XEYJNUZFZGREQU-IJLUTSLNSA-N 1 1 307.354 -1.759 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC001078194348 677918767 /nfs/dbraw/zinc/91/87/67/677918767.db2.gz FYTJKZJXXXBVEN-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182309 677918833 /nfs/dbraw/zinc/91/88/33/677918833.db2.gz OWQOSEHRWYPLDW-JHJVBQTASA-N 1 1 321.381 -1.416 20 0 DAADMO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078198474 677918925 /nfs/dbraw/zinc/91/89/25/677918925.db2.gz PLWGDNWXLPEJLH-JHJVBQTASA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078198474 677918928 /nfs/dbraw/zinc/91/89/28/677918928.db2.gz PLWGDNWXLPEJLH-JHJVBQTASA-N 1 1 313.398 -1.213 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194708 677918968 /nfs/dbraw/zinc/91/89/68/677918968.db2.gz WFARWWYLQXUENC-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182436 677919209 /nfs/dbraw/zinc/91/92/09/677919209.db2.gz VOGXMQZTIYRSEU-IJLUTSLNSA-N 1 1 309.370 -1.383 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229734 677920291 /nfs/dbraw/zinc/92/02/91/677920291.db2.gz VXCFDXWPBBXHGA-MWLCHTKSSA-N 1 1 310.358 -1.806 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205932 677920524 /nfs/dbraw/zinc/92/05/24/677920524.db2.gz JRVOPHORSMUWAU-YUSALJHKSA-N 1 1 323.397 -1.223 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078240829 677920989 /nfs/dbraw/zinc/92/09/89/677920989.db2.gz KPEPYQUKCRMHBH-HOSYDEDBSA-N 1 1 312.370 -1.466 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)n(C)c1=O ZINC001078239559 677921017 /nfs/dbraw/zinc/92/10/17/677921017.db2.gz BBPLMDFYQXAMMB-DMDPSCGWSA-N 1 1 324.381 -1.465 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078239693 677921296 /nfs/dbraw/zinc/92/12/96/677921296.db2.gz IJRGYCZSRABYAX-CKYFFXLPSA-N 1 1 312.370 -1.466 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1 ZINC001078254757 677921824 /nfs/dbraw/zinc/92/18/24/677921824.db2.gz MXDSPCXVLZLSOB-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273485 677922606 /nfs/dbraw/zinc/92/26/06/677922606.db2.gz TXXJSEPZQTZGRR-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266769 677922826 /nfs/dbraw/zinc/92/28/26/677922826.db2.gz CIYAYZAPZPZDOV-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299833 677922954 /nfs/dbraw/zinc/92/29/54/677922954.db2.gz KVDKIACTJVFZKH-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299684 677923132 /nfs/dbraw/zinc/92/31/32/677923132.db2.gz DWQYFVABMPWGSK-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078288333 677923464 /nfs/dbraw/zinc/92/34/64/677923464.db2.gz XCSSHKWRXAKRNB-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078288333 677923467 /nfs/dbraw/zinc/92/34/67/677923467.db2.gz XCSSHKWRXAKRNB-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921806598 677923503 /nfs/dbraw/zinc/92/35/03/677923503.db2.gz QPJQOTKKRYSJMR-UHFFFAOYSA-N 1 1 310.398 -1.403 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078289081 677923581 /nfs/dbraw/zinc/92/35/81/677923581.db2.gz CKAUYNHFKFZARK-OPRDCNLKSA-N 1 1 301.318 -1.440 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1)c1nncn1C ZINC001078362154 677923928 /nfs/dbraw/zinc/92/39/28/677923928.db2.gz RVAJAOTWDLSELH-GHMZBOCLSA-N 1 1 324.385 -1.041 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361740 677923955 /nfs/dbraw/zinc/92/39/55/677923955.db2.gz MEXGWUDUWFWFHL-JTQLQIEISA-N 1 1 311.342 -1.039 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001078345870 677924025 /nfs/dbraw/zinc/92/40/25/677924025.db2.gz IELPZOCBBHXINS-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361623 677924049 /nfs/dbraw/zinc/92/40/49/677924049.db2.gz JTWWGISBHJMPJG-SNVBAGLBSA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 ZINC001078361613 677924064 /nfs/dbraw/zinc/92/40/64/677924064.db2.gz JKUQFWBWZBKENN-NSHDSACASA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001078353103 677924160 /nfs/dbraw/zinc/92/41/60/677924160.db2.gz PXCVYXAMUKNEDA-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO CO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078349100 677924687 /nfs/dbraw/zinc/92/46/87/677924687.db2.gz FAFAKQZSNVKOOY-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)CCCO2)nn1 ZINC001078423935 677924717 /nfs/dbraw/zinc/92/47/17/677924717.db2.gz GTBBVYFXPMTWMR-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424359 677924783 /nfs/dbraw/zinc/92/47/83/677924783.db2.gz RIMSUDHJJHJIGT-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424357 677924817 /nfs/dbraw/zinc/92/48/17/677924817.db2.gz RIFXPWRICTYJIS-SECBINFHSA-N 1 1 321.345 -1.651 20 0 DAADMO NC(=O)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078456702 677925580 /nfs/dbraw/zinc/92/55/80/677925580.db2.gz FSWDSNFYSJTBRG-JTQLQIEISA-N 1 1 322.369 -1.126 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)nc1 ZINC001078457259 677925643 /nfs/dbraw/zinc/92/56/43/677925643.db2.gz SGYIHJBCDQHKRG-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078457243 677925742 /nfs/dbraw/zinc/92/57/42/677925742.db2.gz SANDWXKBISVNIO-NSHDSACASA-N 1 1 310.358 -1.510 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078441409 677926265 /nfs/dbraw/zinc/92/62/65/677926265.db2.gz VBYKPFJWTMMZLZ-VXGBXAGGSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001078489549 677927210 /nfs/dbraw/zinc/92/72/10/677927210.db2.gz TVGWGHFOHFFKHP-SECBINFHSA-N 1 1 322.329 -1.386 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056750981 677934197 /nfs/dbraw/zinc/93/41/97/677934197.db2.gz MGLFPEZHIWFURV-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056750981 677934199 /nfs/dbraw/zinc/93/41/99/677934199.db2.gz MGLFPEZHIWFURV-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003043519 677939043 /nfs/dbraw/zinc/93/90/43/677939043.db2.gz OMPYYCYGVRQNQV-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001058388771 677941102 /nfs/dbraw/zinc/94/11/02/677941102.db2.gz OHDSXGKCRXHWME-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061449799 677949548 /nfs/dbraw/zinc/94/95/48/677949548.db2.gz WJPKSFICIDQCHQ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061449798 677949699 /nfs/dbraw/zinc/94/96/99/677949699.db2.gz WJPKSFICIDQCHQ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061451489 677950296 /nfs/dbraw/zinc/95/02/96/677950296.db2.gz GIABUOWTRSXMKU-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001044493160 677952418 /nfs/dbraw/zinc/95/24/18/677952418.db2.gz QAKZKJSXCUCWHD-IJLUTSLNSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001044493160 677952424 /nfs/dbraw/zinc/95/24/24/677952424.db2.gz QAKZKJSXCUCWHD-IJLUTSLNSA-N 1 1 311.382 -1.338 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061651590 677959870 /nfs/dbraw/zinc/95/98/70/677959870.db2.gz SPOKPXIFISBXLD-JTQLQIEISA-N 1 1 300.359 -1.845 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061711928 677962042 /nfs/dbraw/zinc/96/20/42/677962042.db2.gz UCDULUSXHPPYOY-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061724811 677962593 /nfs/dbraw/zinc/96/25/93/677962593.db2.gz XLVFLXQNLWVONO-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061899389 677973434 /nfs/dbraw/zinc/97/34/34/677973434.db2.gz XDACMQDVBAPIHJ-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001062712792 677981604 /nfs/dbraw/zinc/98/16/04/677981604.db2.gz CWDKDRQERSLMRD-MNOVXSKESA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 ZINC001062712152 677981629 /nfs/dbraw/zinc/98/16/29/677981629.db2.gz OWSHDEPUNRNCOQ-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CCC2)C1 ZINC001063100100 677986036 /nfs/dbraw/zinc/98/60/36/677986036.db2.gz FYVHTCJFTFACBW-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CCC2)C1 ZINC001063100098 677986045 /nfs/dbraw/zinc/98/60/45/677986045.db2.gz FYVHTCJFTFACBW-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)Cn3ncnn3)CCC2)C1 ZINC001063148679 677986630 /nfs/dbraw/zinc/98/66/30/677986630.db2.gz QEYKMOHKMXPIBD-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)Cn3ncnn3)CCC2)C1 ZINC001063148682 677986732 /nfs/dbraw/zinc/98/67/32/677986732.db2.gz QEYKMOHKMXPIBD-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)n1 ZINC001064046593 677992365 /nfs/dbraw/zinc/99/23/65/677992365.db2.gz SLBPNQOLOSDHED-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001064273370 677994667 /nfs/dbraw/zinc/99/46/67/677994667.db2.gz XFNFEFMEFRDTJY-QWRGUYRKSA-N 1 1 323.397 -1.083 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064294863 677995509 /nfs/dbraw/zinc/99/55/09/677995509.db2.gz DCVLSOFFOOHGMA-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064294863 677995511 /nfs/dbraw/zinc/99/55/11/677995511.db2.gz DCVLSOFFOOHGMA-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064294865 677995814 /nfs/dbraw/zinc/99/58/14/677995814.db2.gz DCVLSOFFOOHGMA-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064294865 677995819 /nfs/dbraw/zinc/99/58/19/677995819.db2.gz DCVLSOFFOOHGMA-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998777 678009812 /nfs/dbraw/zinc/00/98/12/678009812.db2.gz LQEJZDFTTWZMFQ-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998619 678009911 /nfs/dbraw/zinc/00/99/11/678009911.db2.gz IEIBDCPVIDCEAO-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001065009599 678010819 /nfs/dbraw/zinc/01/08/19/678010819.db2.gz OTTIJGDGSANFJS-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065009599 678010821 /nfs/dbraw/zinc/01/08/21/678010821.db2.gz OTTIJGDGSANFJS-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001065009606 678010904 /nfs/dbraw/zinc/01/09/04/678010904.db2.gz OTTIJGDGSANFJS-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065009606 678010906 /nfs/dbraw/zinc/01/09/06/678010906.db2.gz OTTIJGDGSANFJS-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)C1 ZINC001065168895 678016000 /nfs/dbraw/zinc/01/60/00/678016000.db2.gz GAZKXRIYGTXXOK-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)CC(N)=O)C2)C1 ZINC001065168898 678016273 /nfs/dbraw/zinc/01/62/73/678016273.db2.gz GAZKXRIYGTXXOK-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079284629 678020006 /nfs/dbraw/zinc/02/00/06/678020006.db2.gz ITYOPMCSFUKKHM-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001079403837 678020792 /nfs/dbraw/zinc/02/07/92/678020792.db2.gz XTVQMOZNSGXYAC-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001079403837 678020794 /nfs/dbraw/zinc/02/07/94/678020794.db2.gz XTVQMOZNSGXYAC-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079396892 678020925 /nfs/dbraw/zinc/02/09/25/678020925.db2.gz JRGRDEGSYYEDMX-MXWKQRLJSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400080 678021035 /nfs/dbraw/zinc/02/10/35/678021035.db2.gz LKQLBUQITFPGQV-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395775 678021088 /nfs/dbraw/zinc/02/10/88/678021088.db2.gz WISLTYDUWJCTBD-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079396985 678021110 /nfs/dbraw/zinc/02/11/10/678021110.db2.gz OWTYTTNIASPLDZ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079396985 678021114 /nfs/dbraw/zinc/02/11/14/678021114.db2.gz OWTYTTNIASPLDZ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493393 678021479 /nfs/dbraw/zinc/02/14/79/678021479.db2.gz NMRGRRCPQZUVMZ-YUSALJHKSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493393 678021483 /nfs/dbraw/zinc/02/14/83/678021483.db2.gz NMRGRRCPQZUVMZ-YUSALJHKSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001079593776 678022964 /nfs/dbraw/zinc/02/29/64/678022964.db2.gz DUCLFSJDYDVUEG-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001079593776 678022966 /nfs/dbraw/zinc/02/29/66/678022966.db2.gz DUCLFSJDYDVUEG-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526779 678022978 /nfs/dbraw/zinc/02/29/78/678022978.db2.gz SHQHFXABIFSLGV-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526779 678022979 /nfs/dbraw/zinc/02/29/79/678022979.db2.gz SHQHFXABIFSLGV-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589349 678022984 /nfs/dbraw/zinc/02/29/84/678022984.db2.gz FLGPOFVRCFIWBB-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589349 678022985 /nfs/dbraw/zinc/02/29/85/678022985.db2.gz FLGPOFVRCFIWBB-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602517 678023458 /nfs/dbraw/zinc/02/34/58/678023458.db2.gz QOAIIKFVKPLLJL-OPRDCNLKSA-N 1 1 310.358 -1.445 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602517 678023460 /nfs/dbraw/zinc/02/34/60/678023460.db2.gz QOAIIKFVKPLLJL-OPRDCNLKSA-N 1 1 310.358 -1.445 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602306 678023657 /nfs/dbraw/zinc/02/36/57/678023657.db2.gz HDYZZFIOQMUCJO-OPRDCNLKSA-N 1 1 310.358 -1.316 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602516 678023716 /nfs/dbraw/zinc/02/37/16/678023716.db2.gz QOAIIKFVKPLLJL-KXUCPTDWSA-N 1 1 310.358 -1.445 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602516 678023718 /nfs/dbraw/zinc/02/37/18/678023718.db2.gz QOAIIKFVKPLLJL-KXUCPTDWSA-N 1 1 310.358 -1.445 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079649210 678024046 /nfs/dbraw/zinc/02/40/46/678024046.db2.gz AMRAMUDIDVTKHN-GMTAPVOTSA-N 1 1 308.342 -1.177 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)[nH]1 ZINC001079677436 678024685 /nfs/dbraw/zinc/02/46/85/678024685.db2.gz ROMANGMMBCPZEG-FBIMIBRVSA-N 1 1 306.370 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)[nH]1 ZINC001079677436 678024689 /nfs/dbraw/zinc/02/46/89/678024689.db2.gz ROMANGMMBCPZEG-FBIMIBRVSA-N 1 1 306.370 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704282 678025277 /nfs/dbraw/zinc/02/52/77/678025277.db2.gz RMZHAPIBJAMYHQ-GHMZBOCLSA-N 1 1 322.373 -1.865 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704182 678025517 /nfs/dbraw/zinc/02/55/17/678025517.db2.gz MHXCQKPMFREPNC-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079731502 678025783 /nfs/dbraw/zinc/02/57/83/678025783.db2.gz DPYRLKHVZCSFQE-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079730704 678025870 /nfs/dbraw/zinc/02/58/70/678025870.db2.gz JXPKRHHAVWOCHM-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730898 678026028 /nfs/dbraw/zinc/02/60/28/678026028.db2.gz UZHZVVYHVVEDKT-RKDXNWHRSA-N 1 1 323.357 -2.441 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730898 678026030 /nfs/dbraw/zinc/02/60/30/678026030.db2.gz UZHZVVYHVVEDKT-RKDXNWHRSA-N 1 1 323.357 -2.441 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079797922 678026842 /nfs/dbraw/zinc/02/68/42/678026842.db2.gz DPRPAMMSAHZTSK-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079797922 678026847 /nfs/dbraw/zinc/02/68/47/678026847.db2.gz DPRPAMMSAHZTSK-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001079803871 678026978 /nfs/dbraw/zinc/02/69/78/678026978.db2.gz MMDXBMUJLLVMPA-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001079803081 678027001 /nfs/dbraw/zinc/02/70/01/678027001.db2.gz GKZLBBPTCVIEGI-GMTAPVOTSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001079803081 678027004 /nfs/dbraw/zinc/02/70/04/678027004.db2.gz GKZLBBPTCVIEGI-GMTAPVOTSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001079876117 678028042 /nfs/dbraw/zinc/02/80/42/678028042.db2.gz QVIZDQDNXKAYRV-HRDYMLBCSA-N 1 1 311.342 -2.233 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001079876117 678028047 /nfs/dbraw/zinc/02/80/47/678028047.db2.gz QVIZDQDNXKAYRV-HRDYMLBCSA-N 1 1 311.342 -2.233 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859079 678028089 /nfs/dbraw/zinc/02/80/89/678028089.db2.gz FTTPBPLBNFRHKC-UTUOFQBUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859079 678028091 /nfs/dbraw/zinc/02/80/91/678028091.db2.gz FTTPBPLBNFRHKC-UTUOFQBUSA-N 1 1 324.381 -1.830 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881863 678028128 /nfs/dbraw/zinc/02/81/28/678028128.db2.gz XUMJYPLKGUSORM-CKYFFXLPSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881863 678028131 /nfs/dbraw/zinc/02/81/31/678028131.db2.gz XUMJYPLKGUSORM-CKYFFXLPSA-N 1 1 321.381 -1.035 20 0 DAADMO CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079830841 678028404 /nfs/dbraw/zinc/02/84/04/678028404.db2.gz XJWCVLRQBXMVCK-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001079960753 678029246 /nfs/dbraw/zinc/02/92/46/678029246.db2.gz WMKKYVDWAPIQPK-BXKDBHETSA-N 1 1 319.365 -1.355 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001079960753 678029250 /nfs/dbraw/zinc/02/92/50/678029250.db2.gz WMKKYVDWAPIQPK-BXKDBHETSA-N 1 1 319.365 -1.355 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997799 678030053 /nfs/dbraw/zinc/03/00/53/678030053.db2.gz UHJIWATWTUJTKD-OPRDCNLKSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997799 678030058 /nfs/dbraw/zinc/03/00/58/678030058.db2.gz UHJIWATWTUJTKD-OPRDCNLKSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080160985 678031502 /nfs/dbraw/zinc/03/15/02/678031502.db2.gz HOHPVXLTHOBOFT-FOGDFJRCSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080160985 678031504 /nfs/dbraw/zinc/03/15/04/678031504.db2.gz HOHPVXLTHOBOFT-FOGDFJRCSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080161266 678031807 /nfs/dbraw/zinc/03/18/07/678031807.db2.gz UMAXXZHZMUDVRP-OPRDCNLKSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080161266 678031810 /nfs/dbraw/zinc/03/18/10/678031810.db2.gz UMAXXZHZMUDVRP-OPRDCNLKSA-N 1 1 307.354 -1.296 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258245 678032550 /nfs/dbraw/zinc/03/25/50/678032550.db2.gz WRKSEPDALDJORO-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080246252 678032613 /nfs/dbraw/zinc/03/26/13/678032613.db2.gz ZVHWOMLMGLXSGT-QNSHHTMESA-N 1 1 320.353 -1.032 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080246252 678032616 /nfs/dbraw/zinc/03/26/16/678032616.db2.gz ZVHWOMLMGLXSGT-QNSHHTMESA-N 1 1 320.353 -1.032 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277053 678033353 /nfs/dbraw/zinc/03/33/53/678033353.db2.gz DDSRBSWOFMRPIV-FXPVBKGRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277053 678033355 /nfs/dbraw/zinc/03/33/55/678033355.db2.gz DDSRBSWOFMRPIV-FXPVBKGRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080260788 678033380 /nfs/dbraw/zinc/03/33/80/678033380.db2.gz ZGMHSODYQUXNJF-IJLUTSLNSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080260788 678033381 /nfs/dbraw/zinc/03/33/81/678033381.db2.gz ZGMHSODYQUXNJF-IJLUTSLNSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360691 678033817 /nfs/dbraw/zinc/03/38/17/678033817.db2.gz HBZJREKDPPXOSI-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360691 678033819 /nfs/dbraw/zinc/03/38/19/678033819.db2.gz HBZJREKDPPXOSI-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290931 678033981 /nfs/dbraw/zinc/03/39/81/678033981.db2.gz XLJIGBFGCHALIB-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290931 678033983 /nfs/dbraw/zinc/03/39/83/678033983.db2.gz XLJIGBFGCHALIB-GRYCIOLGSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001080548013 678037123 /nfs/dbraw/zinc/03/71/23/678037123.db2.gz GPZMMFPURUNNTG-PSASIEDQSA-N 1 1 323.353 -2.381 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001080548013 678037125 /nfs/dbraw/zinc/03/71/25/678037125.db2.gz GPZMMFPURUNNTG-PSASIEDQSA-N 1 1 323.353 -2.381 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001080547528 678037312 /nfs/dbraw/zinc/03/73/12/678037312.db2.gz HDDLMEZQYZTKDH-JFGNBEQYSA-N 1 1 324.381 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1(n2cnnn2)CCOCC1 ZINC001080593389 678037338 /nfs/dbraw/zinc/03/73/38/678037338.db2.gz ZKAJFWWQRRRKNI-VXGBXAGGSA-N 1 1 324.385 -1.392 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001080478335 678037389 /nfs/dbraw/zinc/03/73/89/678037389.db2.gz QVHUEBOAVHFPKX-OUAUKWLOSA-N 1 1 321.385 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001080478335 678037392 /nfs/dbraw/zinc/03/73/92/678037392.db2.gz QVHUEBOAVHFPKX-OUAUKWLOSA-N 1 1 321.385 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001080597174 678037905 /nfs/dbraw/zinc/03/79/05/678037905.db2.gz TUMGFEGZNXUGJX-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080616218 678038189 /nfs/dbraw/zinc/03/81/89/678038189.db2.gz UKKVDCQSQXPXCZ-FBIMIBRVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080616218 678038192 /nfs/dbraw/zinc/03/81/92/678038192.db2.gz UKKVDCQSQXPXCZ-FBIMIBRVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080616427 678038474 /nfs/dbraw/zinc/03/84/74/678038474.db2.gz ZJQDVEHNNYUGPJ-ZYHUDNBSSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001080599239 678038535 /nfs/dbraw/zinc/03/85/35/678038535.db2.gz XKXZAMXOEPDHPG-YPXNUUMBSA-N 1 1 310.354 -1.597 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001080641338 678038820 /nfs/dbraw/zinc/03/88/20/678038820.db2.gz ALNVTMGKGGAGCW-RKDXNWHRSA-N 1 1 321.341 -1.593 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)c(=O)n1 ZINC001080679636 678039631 /nfs/dbraw/zinc/03/96/31/678039631.db2.gz ORQFZBHZGPBMAW-BXKDBHETSA-N 1 1 321.381 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)c(=O)n1 ZINC001080679636 678039633 /nfs/dbraw/zinc/03/96/33/678039633.db2.gz ORQFZBHZGPBMAW-BXKDBHETSA-N 1 1 321.381 -1.218 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001080733321 678040362 /nfs/dbraw/zinc/04/03/62/678040362.db2.gz NDHNBHOJJOYIKI-OUAUKWLOSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001080733549 678040557 /nfs/dbraw/zinc/04/05/57/678040557.db2.gz ZYWXLFPRTVMPLS-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001080725305 678040571 /nfs/dbraw/zinc/04/05/71/678040571.db2.gz KADXKYIXZNHZQU-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001080771341 678040834 /nfs/dbraw/zinc/04/08/34/678040834.db2.gz FMSQJBFJVDBHJT-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001080774176 678041216 /nfs/dbraw/zinc/04/12/16/678041216.db2.gz FVPKBAHNSZJBPE-PSASIEDQSA-N 1 1 318.337 -1.030 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001080774176 678041218 /nfs/dbraw/zinc/04/12/18/678041218.db2.gz FVPKBAHNSZJBPE-PSASIEDQSA-N 1 1 318.337 -1.030 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080779044 678041241 /nfs/dbraw/zinc/04/12/41/678041241.db2.gz UUTPYJFNQGUQDR-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001080776512 678041309 /nfs/dbraw/zinc/04/13/09/678041309.db2.gz GOCWWPLWOBIIIW-WCABBAIRSA-N 1 1 320.353 -1.152 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080779045 678041429 /nfs/dbraw/zinc/04/14/29/678041429.db2.gz UUTPYJFNQGUQDR-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001080775478 678041487 /nfs/dbraw/zinc/04/14/87/678041487.db2.gz KGFMDLNUCMTVLA-HTQZYQBOSA-N 1 1 312.326 -1.061 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080867689 678042839 /nfs/dbraw/zinc/04/28/39/678042839.db2.gz OHNUAKZQBZAYMA-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2C)c(=O)n1C ZINC001080872991 678043044 /nfs/dbraw/zinc/04/30/44/678043044.db2.gz WMCZDGDWNFSQDV-JFGNBEQYSA-N 1 1 311.386 -1.292 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080904414 678043302 /nfs/dbraw/zinc/04/33/02/678043302.db2.gz HHWJZCYUSFEKEQ-VXGBXAGGSA-N 1 1 321.385 -1.260 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 ZINC001080909820 678043403 /nfs/dbraw/zinc/04/34/03/678043403.db2.gz AMUPSLZXQMLMLZ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001080908035 678043703 /nfs/dbraw/zinc/04/37/03/678043703.db2.gz RSBOWIPOOIHRDT-OUAUKWLOSA-N 1 1 312.370 -1.302 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080904810 678043709 /nfs/dbraw/zinc/04/37/09/678043709.db2.gz ZPUJVYZZVKGKHE-GMTAPVOTSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080904810 678043712 /nfs/dbraw/zinc/04/37/12/678043712.db2.gz ZPUJVYZZVKGKHE-GMTAPVOTSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080897025 678043838 /nfs/dbraw/zinc/04/38/38/678043838.db2.gz DWDMOEXYGXZDSX-WCABBAIRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080897025 678043839 /nfs/dbraw/zinc/04/38/39/678043839.db2.gz DWDMOEXYGXZDSX-WCABBAIRSA-N 1 1 307.354 -1.296 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080978765 678046329 /nfs/dbraw/zinc/04/63/29/678046329.db2.gz PYFZCQYMLHXKRG-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011186 678046689 /nfs/dbraw/zinc/04/66/89/678046689.db2.gz LWOFTUWRPQVRNY-KXUCPTDWSA-N 1 1 309.370 -1.352 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011186 678046691 /nfs/dbraw/zinc/04/66/91/678046691.db2.gz LWOFTUWRPQVRNY-KXUCPTDWSA-N 1 1 309.370 -1.352 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001081001346 678046788 /nfs/dbraw/zinc/04/67/88/678046788.db2.gz YIEIIAVSEVCEHI-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011233 678046984 /nfs/dbraw/zinc/04/69/84/678046984.db2.gz OISSEZDEYUKSNL-GHMZBOCLSA-N 1 1 323.397 -1.138 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011233 678046987 /nfs/dbraw/zinc/04/69/87/678046987.db2.gz OISSEZDEYUKSNL-GHMZBOCLSA-N 1 1 323.397 -1.138 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996244 678047222 /nfs/dbraw/zinc/04/72/22/678047222.db2.gz MDCOSOPPBWDCPH-KXUCPTDWSA-N 1 1 310.358 -1.806 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996238 678047348 /nfs/dbraw/zinc/04/73/48/678047348.db2.gz LXLMTCDHIYTLDW-NXEZZACHSA-N 1 1 310.358 -1.540 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001081188730 678055779 /nfs/dbraw/zinc/05/57/79/678055779.db2.gz JSGOHAIRTJRFGL-RYUDHWBXSA-N 1 1 310.354 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081371652 678071973 /nfs/dbraw/zinc/07/19/73/678071973.db2.gz QNIHLMTVWYLHOZ-WDEREUQCSA-N 1 1 323.353 -1.998 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081553773 678083397 /nfs/dbraw/zinc/08/33/97/678083397.db2.gz NGOHCBLIYUWTFX-UWVGGRQHSA-N 1 1 300.359 -2.253 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O)C1CCC1 ZINC001081565422 678084347 /nfs/dbraw/zinc/08/43/47/678084347.db2.gz YORHUTGWAHBEMC-GXSJLCMTSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081549984 678087886 /nfs/dbraw/zinc/08/78/86/678087886.db2.gz DEPXQMDBEPWDFX-MNOVXSKESA-N 1 1 314.386 -1.863 20 0 DAADMO COCC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001081550249 678087906 /nfs/dbraw/zinc/08/79/06/678087906.db2.gz GAKSAAWXNMQDHR-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001081626202 678088747 /nfs/dbraw/zinc/08/87/47/678088747.db2.gz VLEMSDZEBJIGRP-ZYHUDNBSSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001081626202 678088751 /nfs/dbraw/zinc/08/87/51/678088751.db2.gz VLEMSDZEBJIGRP-ZYHUDNBSSA-N 1 1 320.357 -1.464 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081590878 678089629 /nfs/dbraw/zinc/08/96/29/678089629.db2.gz YAJZMRCILHKMMP-MWLCHTKSSA-N 1 1 310.358 -1.695 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081607552 678090284 /nfs/dbraw/zinc/09/02/84/678090284.db2.gz SXBCBNWXCDRNIC-UWVGGRQHSA-N 1 1 309.326 -2.388 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081606999 678090289 /nfs/dbraw/zinc/09/02/89/678090289.db2.gz DDXGZTPUWLMSJU-IJLUTSLNSA-N 1 1 323.353 -1.193 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081607286 678090528 /nfs/dbraw/zinc/09/05/28/678090528.db2.gz HJSFAPHIGWSPPU-GMTAPVOTSA-N 1 1 324.341 -1.798 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001081607286 678090529 /nfs/dbraw/zinc/09/05/29/678090529.db2.gz HJSFAPHIGWSPPU-GMTAPVOTSA-N 1 1 324.341 -1.798 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653148 678091788 /nfs/dbraw/zinc/09/17/88/678091788.db2.gz KLVFQPNLPRYTCH-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653148 678091793 /nfs/dbraw/zinc/09/17/93/678091793.db2.gz KLVFQPNLPRYTCH-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653148 678091796 /nfs/dbraw/zinc/09/17/96/678091796.db2.gz KLVFQPNLPRYTCH-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653148 678091800 /nfs/dbraw/zinc/09/18/00/678091800.db2.gz KLVFQPNLPRYTCH-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653148 678091803 /nfs/dbraw/zinc/09/18/03/678091803.db2.gz KLVFQPNLPRYTCH-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652485 678091963 /nfs/dbraw/zinc/09/19/63/678091963.db2.gz BLWNGXUIMBNZHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652485 678091965 /nfs/dbraw/zinc/09/19/65/678091965.db2.gz BLWNGXUIMBNZHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1)OC ZINC001081673200 678093566 /nfs/dbraw/zinc/09/35/66/678093566.db2.gz BKONUYMDQRFSHB-IJLUTSLNSA-N 1 1 312.374 -1.087 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081714367 678098604 /nfs/dbraw/zinc/09/86/04/678098604.db2.gz WWPXFHBDCLPTCV-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081718819 678100765 /nfs/dbraw/zinc/10/07/65/678100765.db2.gz IWMPUBNGKZCETF-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081721081 678101936 /nfs/dbraw/zinc/10/19/36/678101936.db2.gz GDGXESHXJBIGSG-VHSXEESVSA-N 1 1 314.386 -1.863 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001081727381 678102816 /nfs/dbraw/zinc/10/28/16/678102816.db2.gz PHNIDPOHLUZENT-CMPLNLGQSA-N 1 1 309.370 -1.090 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735567 678103202 /nfs/dbraw/zinc/10/32/02/678103202.db2.gz PEXVVFZNEYCGLU-WDEREUQCSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735565 678103390 /nfs/dbraw/zinc/10/33/90/678103390.db2.gz PEXVVFZNEYCGLU-MNOVXSKESA-N 1 1 324.385 -1.386 20 0 DAADMO CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081699365 678103591 /nfs/dbraw/zinc/10/35/91/678103591.db2.gz SBRZHEUAPRKUNL-GHMZBOCLSA-N 1 1 324.385 -1.152 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)COC)C[C@H]1O ZINC001081773324 678103611 /nfs/dbraw/zinc/10/36/11/678103611.db2.gz AHUDXKVJMCQPJJ-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081696856 678103657 /nfs/dbraw/zinc/10/36/57/678103657.db2.gz BXMDOWZDQFVBIE-RKDXNWHRSA-N 1 1 312.330 -2.815 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)COC)C[C@@H]1O ZINC001081773325 678103684 /nfs/dbraw/zinc/10/36/84/678103684.db2.gz AHUDXKVJMCQPJJ-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081775258 678104066 /nfs/dbraw/zinc/10/40/66/678104066.db2.gz YMTMYUUWPJIORB-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001081791077 678105225 /nfs/dbraw/zinc/10/52/25/678105225.db2.gz MVFUJGIJRUJTJI-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001081834045 678106055 /nfs/dbraw/zinc/10/60/55/678106055.db2.gz QDTCEVQEZICSDI-DGCLKSJQSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081834045 678106057 /nfs/dbraw/zinc/10/60/57/678106057.db2.gz QDTCEVQEZICSDI-DGCLKSJQSA-N 1 1 312.370 -1.049 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001081807669 678106623 /nfs/dbraw/zinc/10/66/23/678106623.db2.gz AKCJDAMHCVBINA-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001081808938 678106689 /nfs/dbraw/zinc/10/66/89/678106689.db2.gz DPPBQTVBMCOOCG-LOWDOPEQSA-N 1 1 302.371 -1.012 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873346 678107078 /nfs/dbraw/zinc/10/70/78/678107078.db2.gz QOUABDOPVFNHBK-HBNTYKKESA-N 1 1 313.358 -2.222 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873273 678107095 /nfs/dbraw/zinc/10/70/95/678107095.db2.gz NILHHHHOMHGCGG-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873306 678107134 /nfs/dbraw/zinc/10/71/34/678107134.db2.gz OMJVBKNHPLJILF-GHMZBOCLSA-N 1 1 315.349 -1.243 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081848340 678107607 /nfs/dbraw/zinc/10/76/07/678107607.db2.gz ZQBGVMLXRIYATG-AAVRWANBSA-N 1 1 315.414 -1.097 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001081902157 678107662 /nfs/dbraw/zinc/10/76/62/678107662.db2.gz FWNAJDQICDMEAH-IRUJWGPZSA-N 1 1 324.381 -1.066 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccnc2c1CC(=O)N2 ZINC001081896261 678107977 /nfs/dbraw/zinc/10/79/77/678107977.db2.gz YBEJBFNBQVMXHP-VXGBXAGGSA-N 1 1 320.349 -1.003 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccnc2c1CC(=O)N2 ZINC001081896261 678107978 /nfs/dbraw/zinc/10/79/78/678107978.db2.gz YBEJBFNBQVMXHP-VXGBXAGGSA-N 1 1 320.349 -1.003 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)cc1=O ZINC001081947248 678108410 /nfs/dbraw/zinc/10/84/10/678108410.db2.gz SFWBZISVRWWOGP-ZWNOBZJWSA-N 1 1 311.338 -1.195 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)cc1=O ZINC001081947248 678108411 /nfs/dbraw/zinc/10/84/11/678108411.db2.gz SFWBZISVRWWOGP-ZWNOBZJWSA-N 1 1 311.338 -1.195 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001081972704 678108556 /nfs/dbraw/zinc/10/85/56/678108556.db2.gz KFDGVXHIKBMAMT-JHJVBQTASA-N 1 1 323.397 -1.043 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082019874 678109328 /nfs/dbraw/zinc/10/93/28/678109328.db2.gz SBULTPPAHLHZQP-VXGBXAGGSA-N 1 1 316.377 -1.407 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001082021191 678109671 /nfs/dbraw/zinc/10/96/71/678109671.db2.gz XCHILFXNTZSSIX-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036593 678109766 /nfs/dbraw/zinc/10/97/66/678109766.db2.gz RRCFGFSQSJPXQW-NXEZZACHSA-N 1 1 321.345 -2.069 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036593 678109767 /nfs/dbraw/zinc/10/97/67/678109767.db2.gz RRCFGFSQSJPXQW-NXEZZACHSA-N 1 1 321.345 -2.069 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001082154679 678111607 /nfs/dbraw/zinc/11/16/07/678111607.db2.gz RCBYJIGBTCIZMF-IJLUTSLNSA-N 1 1 324.385 -1.567 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001082139398 678111614 /nfs/dbraw/zinc/11/16/14/678111614.db2.gz SOUTYLPJRJDYCE-UMSGYPCISA-N 1 1 313.398 -1.092 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082129415 678111688 /nfs/dbraw/zinc/11/16/88/678111688.db2.gz PIJUDXKVBUTDRQ-WRWGMCAJSA-N 1 1 315.370 -1.783 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001082154680 678111758 /nfs/dbraw/zinc/11/17/58/678111758.db2.gz RCBYJIGBTCIZMF-QJPTWQEYSA-N 1 1 324.385 -1.567 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](OC)C1 ZINC001082196597 678112100 /nfs/dbraw/zinc/11/21/00/678112100.db2.gz SZJAMNWAZIQWBK-VXGBXAGGSA-N 1 1 324.381 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082245017 678112954 /nfs/dbraw/zinc/11/29/54/678112954.db2.gz VBRDKZXZQOAURX-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(C)(C)N1CCOCC1 ZINC001082241080 678113047 /nfs/dbraw/zinc/11/30/47/678113047.db2.gz ANVFLERUVCBTKE-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(C)(C)N1CCOCC1 ZINC001082241080 678113048 /nfs/dbraw/zinc/11/30/48/678113048.db2.gz ANVFLERUVCBTKE-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082247275 678113190 /nfs/dbraw/zinc/11/31/90/678113190.db2.gz NILIFZVGSPMJAU-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001082255470 678113509 /nfs/dbraw/zinc/11/35/09/678113509.db2.gz NBLIDGPEWOEHNL-HBNTYKKESA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001082277163 678114123 /nfs/dbraw/zinc/11/41/23/678114123.db2.gz VKDXHDXAAAMINZ-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001082323732 678114644 /nfs/dbraw/zinc/11/46/44/678114644.db2.gz JUMRBXJLFIXOOU-GHMZBOCLSA-N 1 1 321.337 -1.144 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082325970 678115400 /nfs/dbraw/zinc/11/54/00/678115400.db2.gz IPGUTWRCRQVBTB-YNEHKIRRSA-N 1 1 312.414 -1.110 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360966 678115932 /nfs/dbraw/zinc/11/59/32/678115932.db2.gz CTGIYYOJLQAIQR-NXEZZACHSA-N 1 1 316.333 -1.287 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 ZINC001082358796 678115965 /nfs/dbraw/zinc/11/59/65/678115965.db2.gz RONHSDLGHJAKRR-VXGBXAGGSA-N 1 1 310.354 -1.144 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001082361044 678115992 /nfs/dbraw/zinc/11/59/92/678115992.db2.gz HMYQZIJRVUMSEN-RKDXNWHRSA-N 1 1 309.326 -2.003 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001082361044 678115994 /nfs/dbraw/zinc/11/59/94/678115994.db2.gz HMYQZIJRVUMSEN-RKDXNWHRSA-N 1 1 309.326 -2.003 20 0 DAADMO CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371702 678116074 /nfs/dbraw/zinc/11/60/74/678116074.db2.gz WHEOUDCUGODPCM-MVWJERBFSA-N 1 1 309.370 -1.119 20 0 DAADMO CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371500 678116131 /nfs/dbraw/zinc/11/61/31/678116131.db2.gz MGTATJVFFQGWMD-JHJVBQTASA-N 1 1 321.381 -1.105 20 0 DAADMO CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368688 678116312 /nfs/dbraw/zinc/11/63/12/678116312.db2.gz KSPKCMJMPOOOES-YNEHKIRRSA-N 1 1 312.414 -1.158 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001082366949 678116389 /nfs/dbraw/zinc/11/63/89/678116389.db2.gz FANWZPRUDXUEER-NXEZZACHSA-N 1 1 312.326 -2.093 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001082393843 678116732 /nfs/dbraw/zinc/11/67/32/678116732.db2.gz GIYUUAYOZCLVBK-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001082393843 678116734 /nfs/dbraw/zinc/11/67/34/678116734.db2.gz GIYUUAYOZCLVBK-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116768 /nfs/dbraw/zinc/11/67/68/678116768.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)C1 ZINC001082377116 678116769 /nfs/dbraw/zinc/11/67/69/678116769.db2.gz DCFOOHAZIWYVQV-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CCCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](OC)C1 ZINC001082385313 678116955 /nfs/dbraw/zinc/11/69/55/678116955.db2.gz UONMJQZBBUSPKA-ZYHUDNBSSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nnnn1C ZINC001082419622 678117045 /nfs/dbraw/zinc/11/70/45/678117045.db2.gz HACKHVZUYIQOII-KXUCPTDWSA-N 1 1 320.361 -1.606 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](OC)C1 ZINC001082401118 678117067 /nfs/dbraw/zinc/11/70/67/678117067.db2.gz BJPZLSURBWOTHN-GMTAPVOTSA-N 1 1 313.354 -1.499 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082482655 678117514 /nfs/dbraw/zinc/11/75/14/678117514.db2.gz PXKPSYYDGOVLKA-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082542167 678118100 /nfs/dbraw/zinc/11/81/00/678118100.db2.gz YLYAVFCIGPYDOZ-GMTAPVOTSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082508248 678118219 /nfs/dbraw/zinc/11/82/19/678118219.db2.gz WAKZCNUSELAAEM-GRYCIOLGSA-N 1 1 324.385 -1.048 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001082679101 678118816 /nfs/dbraw/zinc/11/88/16/678118816.db2.gz UQOLKEAUVYSNSZ-FKTZTGRPSA-N 1 1 320.353 -1.032 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082684311 678118833 /nfs/dbraw/zinc/11/88/33/678118833.db2.gz WICDSSCWCSDFLO-ADEWGFFLSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)c1nnnn1C ZINC001082691409 678118925 /nfs/dbraw/zinc/11/89/25/678118925.db2.gz UNUIZPPMBHNDIG-IWSPIJDZSA-N 1 1 320.361 -1.455 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001082714965 678119259 /nfs/dbraw/zinc/11/92/59/678119259.db2.gz HXSGFPXRVVGYSB-GMTAPVOTSA-N 1 1 321.385 -1.084 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001082714669 678119390 /nfs/dbraw/zinc/11/93/90/678119390.db2.gz WAAQAPCSFVGWEG-PPKCKEKNSA-N 1 1 308.342 -1.004 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082738048 678119686 /nfs/dbraw/zinc/11/96/86/678119686.db2.gz ZQYDIOQKKWCKDA-RULNRJAQSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082744318 678119706 /nfs/dbraw/zinc/11/97/06/678119706.db2.gz DUIGUMUSJUGJPV-KXGXSXBTSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001082743945 678119777 /nfs/dbraw/zinc/11/97/77/678119777.db2.gz KNOJJRHUOJEADE-CHWFTXMASA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082769218 678119846 /nfs/dbraw/zinc/11/98/46/678119846.db2.gz TUSUVWMPXMBZBJ-FKTZTGRPSA-N 1 1 322.325 -1.396 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)c1nnnn1C ZINC001082905688 678119980 /nfs/dbraw/zinc/11/99/80/678119980.db2.gz VEUTYFRNFYJWNJ-GMTAPVOTSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082872660 678120143 /nfs/dbraw/zinc/12/01/43/678120143.db2.gz VSSRWYCJCFZHQY-KXUCPTDWSA-N 1 1 307.358 -1.575 20 0 DAADMO O=C(C(F)F)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082972360 678120433 /nfs/dbraw/zinc/12/04/33/678120433.db2.gz XOFDUTVHQYWPBC-XHNCKOQMSA-N 1 1 317.292 -1.032 20 0 DAADMO O=C(C(F)F)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082972360 678120434 /nfs/dbraw/zinc/12/04/34/678120434.db2.gz XOFDUTVHQYWPBC-XHNCKOQMSA-N 1 1 317.292 -1.032 20 0 DAADMO O=C(CN1CCCC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001082995630 678120520 /nfs/dbraw/zinc/12/05/20/678120520.db2.gz ORCCOGWFOLMJJZ-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082994967 678120641 /nfs/dbraw/zinc/12/06/41/678120641.db2.gz KNDVAKWVSSGRED-GARJFASQSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082994967 678120643 /nfs/dbraw/zinc/12/06/43/678120643.db2.gz KNDVAKWVSSGRED-GARJFASQSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(CCn1cncn1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001082999255 678120967 /nfs/dbraw/zinc/12/09/67/678120967.db2.gz FPFMJWNRPVYNHH-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cncn3)[C@H]2C1 ZINC001083003796 678120989 /nfs/dbraw/zinc/12/09/89/678120989.db2.gz UTAUXWKBLSQNNU-FRRDWIJNSA-N 1 1 309.370 -1.039 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083073028 678121674 /nfs/dbraw/zinc/12/16/74/678121674.db2.gz LIEYHEIZPLRQIS-OUAUKWLOSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083073028 678121676 /nfs/dbraw/zinc/12/16/76/678121676.db2.gz LIEYHEIZPLRQIS-OUAUKWLOSA-N 1 1 320.353 -1.771 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC001083057127 678121998 /nfs/dbraw/zinc/12/19/98/678121998.db2.gz SXGGMHMUHRLTAC-OUAUKWLOSA-N 1 1 311.342 -1.724 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC001083057126 678122280 /nfs/dbraw/zinc/12/22/80/678122280.db2.gz SXGGMHMUHRLTAC-GARJFASQSA-N 1 1 311.342 -1.724 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083055749 678122323 /nfs/dbraw/zinc/12/23/23/678122323.db2.gz DIIKYOVVWQCRCD-BFHYXJOUSA-N 1 1 313.398 -1.389 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COCCN3C)[C@H]2C1 ZINC001083056041 678122339 /nfs/dbraw/zinc/12/23/39/678122339.db2.gz WRXFBCGTSITQHJ-MELADBBJSA-N 1 1 313.398 -1.125 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COCCN3C)[C@H]2C1 ZINC001083056041 678122340 /nfs/dbraw/zinc/12/23/40/678122340.db2.gz WRXFBCGTSITQHJ-MELADBBJSA-N 1 1 313.398 -1.125 20 0 DAADMO Cn1oc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)cc1=O ZINC001083060670 678122678 /nfs/dbraw/zinc/12/26/78/678122678.db2.gz PEUVCGBGSWYWFP-CMPLNLGQSA-N 1 1 311.338 -1.114 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)o3)[C@H]2C1 ZINC001083063586 678122795 /nfs/dbraw/zinc/12/27/95/678122795.db2.gz RGXHVXFTMAAILA-JBLDHEPKSA-N 1 1 311.338 -1.116 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1=O ZINC001083123884 678122971 /nfs/dbraw/zinc/12/29/71/678122971.db2.gz YSOIPOOVJOYWCA-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1=O ZINC001083123884 678122974 /nfs/dbraw/zinc/12/29/74/678122974.db2.gz YSOIPOOVJOYWCA-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO Cc1nnc(CC(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]32)[nH]1 ZINC001083078769 678123005 /nfs/dbraw/zinc/12/30/05/678123005.db2.gz TUERLQTZSMHVKO-ADEWGFFLSA-N 1 1 309.370 -1.052 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083083534 678123204 /nfs/dbraw/zinc/12/32/04/678123204.db2.gz ZVMQSLKEBKDYPK-GARJFASQSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083083534 678123207 /nfs/dbraw/zinc/12/32/07/678123207.db2.gz ZVMQSLKEBKDYPK-GARJFASQSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083104127 678123608 /nfs/dbraw/zinc/12/36/08/678123608.db2.gz SKEKVPIVBKWRMI-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083104127 678123609 /nfs/dbraw/zinc/12/36/09/678123609.db2.gz SKEKVPIVBKWRMI-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)CC1=O ZINC001083098229 678123661 /nfs/dbraw/zinc/12/36/61/678123661.db2.gz KOBGEBJTJFDVSU-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083089371 678123724 /nfs/dbraw/zinc/12/37/24/678123724.db2.gz DFFLTLQNKQWWDJ-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083089371 678123726 /nfs/dbraw/zinc/12/37/26/678123726.db2.gz DFFLTLQNKQWWDJ-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083108524 678123925 /nfs/dbraw/zinc/12/39/25/678123925.db2.gz AHOYOGJGZZOBSL-GARJFASQSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C(c1cnc2n[nH]nc2c1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083107176 678124022 /nfs/dbraw/zinc/12/40/22/678124022.db2.gz RGZXPKDHJCSSCP-NWDGAFQWSA-N 1 1 318.337 -1.130 20 0 DAADMO O=C(c1cnc2n[nH]nc2c1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083107176 678124024 /nfs/dbraw/zinc/12/40/24/678124024.db2.gz RGZXPKDHJCSSCP-NWDGAFQWSA-N 1 1 318.337 -1.130 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083127490 678124047 /nfs/dbraw/zinc/12/40/47/678124047.db2.gz QGYSDXHTZSSKTK-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C([C@@H]1CCNC(=O)CC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083153605 678124410 /nfs/dbraw/zinc/12/44/10/678124410.db2.gz IKYYODTZYDZERC-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C([C@@H]1CCNC(=O)CC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083153605 678124411 /nfs/dbraw/zinc/12/44/11/678124411.db2.gz IKYYODTZYDZERC-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO COc1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)nn1C ZINC001083138736 678124491 /nfs/dbraw/zinc/12/44/91/678124491.db2.gz NNQGNYBQGVOYJE-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO COc1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)nn1C ZINC001083138736 678124495 /nfs/dbraw/zinc/12/44/95/678124495.db2.gz NNQGNYBQGVOYJE-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)cn3)[C@H]2C1 ZINC001083148994 678124546 /nfs/dbraw/zinc/12/45/46/678124546.db2.gz RXFRHVDWKVKGTG-KGYLQXTDSA-N 1 1 322.365 -1.314 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083161619 678124870 /nfs/dbraw/zinc/12/48/70/678124870.db2.gz LLPMAXJYBGEMMD-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083161619 678124871 /nfs/dbraw/zinc/12/48/71/678124871.db2.gz LLPMAXJYBGEMMD-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cn3)[C@H]2C1 ZINC001083178007 678125233 /nfs/dbraw/zinc/12/52/33/678125233.db2.gz XAFMWVRJIGDWKE-ZMLRMANQSA-N 1 1 308.338 -1.324 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001083181558 678125596 /nfs/dbraw/zinc/12/55/96/678125596.db2.gz LDNICKLSGVIOIL-GARJFASQSA-N 1 1 320.353 -1.838 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001083181558 678125597 /nfs/dbraw/zinc/12/55/97/678125597.db2.gz LDNICKLSGVIOIL-GARJFASQSA-N 1 1 320.353 -1.838 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001083180828 678125773 /nfs/dbraw/zinc/12/57/73/678125773.db2.gz BYLKTOPSSANFHA-NWDGAFQWSA-N 1 1 307.354 -1.641 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001083180828 678125776 /nfs/dbraw/zinc/12/57/76/678125776.db2.gz BYLKTOPSSANFHA-NWDGAFQWSA-N 1 1 307.354 -1.641 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cn1 ZINC001083181207 678125786 /nfs/dbraw/zinc/12/57/86/678125786.db2.gz UZMLAHLAHMOXQB-NWDGAFQWSA-N 1 1 307.354 -1.641 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)cn1 ZINC001083181207 678125787 /nfs/dbraw/zinc/12/57/87/678125787.db2.gz UZMLAHLAHMOXQB-NWDGAFQWSA-N 1 1 307.354 -1.641 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065254306 678126742 /nfs/dbraw/zinc/12/67/42/678126742.db2.gz UBJRIUOBZMKYCV-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+](CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001065271834 678126829 /nfs/dbraw/zinc/12/68/29/678126829.db2.gz YBFOAVFFBIYNSZ-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065292369 678127117 /nfs/dbraw/zinc/12/71/17/678127117.db2.gz LYFGUEFGHZUPMK-JTQLQIEISA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065369350 678128390 /nfs/dbraw/zinc/12/83/90/678128390.db2.gz CVXORPISFVKRFR-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065405730 678128884 /nfs/dbraw/zinc/12/88/84/678128884.db2.gz BKOXPCNGBRTDMO-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065406502 678129056 /nfs/dbraw/zinc/12/90/56/678129056.db2.gz KRULNNSNQCOMLV-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550745 678131642 /nfs/dbraw/zinc/13/16/42/678131642.db2.gz MRENDMDKBVBZIP-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1)C1CCC1 ZINC001065555662 678132917 /nfs/dbraw/zinc/13/29/17/678132917.db2.gz MOLWDKHDMKIGIC-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065621848 678134910 /nfs/dbraw/zinc/13/49/10/678134910.db2.gz OMZJLDDFVZPOJU-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065620476 678134965 /nfs/dbraw/zinc/13/49/65/678134965.db2.gz FLACLYLYLUJUCM-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001066785981 678142747 /nfs/dbraw/zinc/14/27/47/678142747.db2.gz CJURXUSZAQLINA-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041053107 678144724 /nfs/dbraw/zinc/14/47/24/678144724.db2.gz HBYVDUNFJMWPTR-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCO ZINC001072098857 678152431 /nfs/dbraw/zinc/15/24/31/678152431.db2.gz HKODBKSDHCTURD-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072099718 678152581 /nfs/dbraw/zinc/15/25/81/678152581.db2.gz WKVQBVISTMDBDT-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072162019 678153751 /nfs/dbraw/zinc/15/37/51/678153751.db2.gz UIVWMNIJXRFULU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072282356 678155431 /nfs/dbraw/zinc/15/54/31/678155431.db2.gz DNSVHAGVTHGONX-WDEREUQCSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cnn[nH]1 ZINC001072430761 678156447 /nfs/dbraw/zinc/15/64/47/678156447.db2.gz XYKNLKTVGMACOO-PWSUYJOCSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001072430759 678156473 /nfs/dbraw/zinc/15/64/73/678156473.db2.gz XYKNLKTVGMACOO-CMPLNLGQSA-N 1 1 324.385 -1.040 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072401729 678156482 /nfs/dbraw/zinc/15/64/82/678156482.db2.gz QVFDZDUKIFXMCX-GXSJLCMTSA-N 1 1 322.369 -1.177 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072451768 678156778 /nfs/dbraw/zinc/15/67/78/678156778.db2.gz SCUDAIABQSHHAL-SNVBAGLBSA-N 1 1 305.342 -1.904 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1)NC1CC1 ZINC001072451466 678156985 /nfs/dbraw/zinc/15/69/85/678156985.db2.gz NZBXHECDLNGARX-UHFFFAOYSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1)NC1CC1 ZINC001072451466 678156986 /nfs/dbraw/zinc/15/69/86/678156986.db2.gz NZBXHECDLNGARX-UHFFFAOYSA-N 1 1 319.369 -1.514 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001072478533 678157261 /nfs/dbraw/zinc/15/72/61/678157261.db2.gz KSALKBSGBODVJU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 ZINC001072478750 678157301 /nfs/dbraw/zinc/15/73/01/678157301.db2.gz MXJQZROSEMNRKL-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001072480683 678157336 /nfs/dbraw/zinc/15/73/36/678157336.db2.gz IBPWWVHSIMENJL-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072480686 678157429 /nfs/dbraw/zinc/15/74/29/678157429.db2.gz IBPWWVHSIMENJL-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072568354 678158493 /nfs/dbraw/zinc/15/84/93/678158493.db2.gz OGPBGNFIRUBOOD-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072550035 678158544 /nfs/dbraw/zinc/15/85/44/678158544.db2.gz HJYIWTLYKAESTR-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072565466 678158607 /nfs/dbraw/zinc/15/86/07/678158607.db2.gz AYJOTJQYGNIVIC-VIFPVBQESA-N 1 1 308.338 -1.799 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072547588 678158690 /nfs/dbraw/zinc/15/86/90/678158690.db2.gz FWTAACMRUGXJIG-MNOVXSKESA-N 1 1 306.366 -1.312 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577721 678158933 /nfs/dbraw/zinc/15/89/33/678158933.db2.gz AXELRASZJBICGY-OLZOCXBDSA-N 1 1 322.409 -1.260 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072577717 678158960 /nfs/dbraw/zinc/15/89/60/678158960.db2.gz AXELRASZJBICGY-CHWSQXEVSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001072612509 678159600 /nfs/dbraw/zinc/15/96/00/678159600.db2.gz GHMDSUDYJKVBSI-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001072612509 678159603 /nfs/dbraw/zinc/15/96/03/678159603.db2.gz GHMDSUDYJKVBSI-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001072615192 678159789 /nfs/dbraw/zinc/15/97/89/678159789.db2.gz FZNUVICVTCUZFS-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072642293 678161527 /nfs/dbraw/zinc/16/15/27/678161527.db2.gz DKRKEEIJWGCCOD-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645270 678161548 /nfs/dbraw/zinc/16/15/48/678161548.db2.gz GIJTWHSIAPBPJE-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645270 678161550 /nfs/dbraw/zinc/16/15/50/678161550.db2.gz GIJTWHSIAPBPJE-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3CN(C(C)=O)C3)C2)C1 ZINC001072667043 678161910 /nfs/dbraw/zinc/16/19/10/678161910.db2.gz UDNXDOHMZAKUHL-UHFFFAOYSA-N 1 1 308.382 -1.255 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C3CN(C(C)=O)C3)C2)C1 ZINC001072667043 678161911 /nfs/dbraw/zinc/16/19/11/678161911.db2.gz UDNXDOHMZAKUHL-UHFFFAOYSA-N 1 1 308.382 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)o3)C2)C1 ZINC001072663189 678162067 /nfs/dbraw/zinc/16/20/67/678162067.db2.gz HBMJLOVMLFCTGB-UHFFFAOYSA-N 1 1 308.338 -1.128 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)o3)C2)C1 ZINC001072663189 678162068 /nfs/dbraw/zinc/16/20/68/678162068.db2.gz HBMJLOVMLFCTGB-UHFFFAOYSA-N 1 1 308.338 -1.128 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686007 678162411 /nfs/dbraw/zinc/16/24/11/678162411.db2.gz AIVMSGDIKOEORS-ZJUUUORDSA-N 1 1 310.354 -1.236 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4COC(=O)N4)C3)C2)C1=O ZINC001072686675 678162434 /nfs/dbraw/zinc/16/24/34/678162434.db2.gz SOJNQIAHJIFOIY-MNOVXSKESA-N 1 1 322.365 -1.140 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072686306 678162485 /nfs/dbraw/zinc/16/24/85/678162485.db2.gz IXOAIZCBDGZIJO-VHSXEESVSA-N 1 1 308.338 -1.482 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072686045 678162496 /nfs/dbraw/zinc/16/24/96/678162496.db2.gz BBETZAKRNQEWGA-LLVKDONJSA-N 1 1 320.353 -1.079 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1)N1CCC1 ZINC001072686858 678162581 /nfs/dbraw/zinc/16/25/81/678162581.db2.gz YSHRDFSPZLLAEJ-NSHDSACASA-N 1 1 322.365 -1.139 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072686810 678162682 /nfs/dbraw/zinc/16/26/82/678162682.db2.gz XLXGCJWIYUVSSN-MNOVXSKESA-N 1 1 322.365 -1.092 20 0 DAADMO NC(=O)CN1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760979 678163538 /nfs/dbraw/zinc/16/35/38/678163538.db2.gz XJHZGHIUEFIAPA-QWHCGFSZSA-N 1 1 322.409 -1.131 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001072777151 678164108 /nfs/dbraw/zinc/16/41/08/678164108.db2.gz ZFEOPJHDXBMIJL-SNVBAGLBSA-N 1 1 302.396 -1.054 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072780251 678164466 /nfs/dbraw/zinc/16/44/66/678164466.db2.gz CKQNAUOTUOJKPN-UHFFFAOYSA-N 1 1 306.370 -1.099 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CC1=O ZINC001072793905 678164474 /nfs/dbraw/zinc/16/44/74/678164474.db2.gz ACMOYHXLHZWBBG-RYUDHWBXSA-N 1 1 320.393 -1.113 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)N1C(=O)CCC1=O ZINC001072799229 678164557 /nfs/dbraw/zinc/16/45/57/678164557.db2.gz GIZPXNZQZSOYGQ-JTQLQIEISA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)N1C(=O)CCC1=O ZINC001072799229 678164560 /nfs/dbraw/zinc/16/45/60/678164560.db2.gz GIZPXNZQZSOYGQ-JTQLQIEISA-N 1 1 322.365 -1.457 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CC1=O ZINC001072793904 678164668 /nfs/dbraw/zinc/16/46/68/678164668.db2.gz ACMOYHXLHZWBBG-NWDGAFQWSA-N 1 1 320.393 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072810218 678164855 /nfs/dbraw/zinc/16/48/55/678164855.db2.gz RNADKAKEYFCYNT-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072810218 678164858 /nfs/dbraw/zinc/16/48/58/678164858.db2.gz RNADKAKEYFCYNT-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC001072810217 678164875 /nfs/dbraw/zinc/16/48/75/678164875.db2.gz RNADKAKEYFCYNT-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)NC3)C2)C1 ZINC001072810217 678164877 /nfs/dbraw/zinc/16/48/77/678164877.db2.gz RNADKAKEYFCYNT-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC001072810433 678164947 /nfs/dbraw/zinc/16/49/47/678164947.db2.gz ZHGCGNWTSGNDOY-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818037 678164966 /nfs/dbraw/zinc/16/49/66/678164966.db2.gz HRJUSUKKBFLLOD-UHFFFAOYSA-N 1 1 310.354 -2.135 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818037 678164968 /nfs/dbraw/zinc/16/49/68/678164968.db2.gz HRJUSUKKBFLLOD-UHFFFAOYSA-N 1 1 310.354 -2.135 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072832936 678165018 /nfs/dbraw/zinc/16/50/18/678165018.db2.gz VGWVDUHOPGKYRE-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001072832043 678165114 /nfs/dbraw/zinc/16/51/14/678165114.db2.gz XZCHQRLDGJEQPZ-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001072832043 678165116 /nfs/dbraw/zinc/16/51/16/678165116.db2.gz XZCHQRLDGJEQPZ-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCNC(=O)C1 ZINC001072851304 678165225 /nfs/dbraw/zinc/16/52/25/678165225.db2.gz QMSBNIQBAFRULL-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCNC(=O)C1 ZINC001072851304 678165227 /nfs/dbraw/zinc/16/52/27/678165227.db2.gz QMSBNIQBAFRULL-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072810103 678165242 /nfs/dbraw/zinc/16/52/42/678165242.db2.gz OWYKXBNMJGYDSB-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC001072818221 678165265 /nfs/dbraw/zinc/16/52/65/678165265.db2.gz PWBHJLFCHCJZRR-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC001072818221 678165267 /nfs/dbraw/zinc/16/52/67/678165267.db2.gz PWBHJLFCHCJZRR-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881434 678165511 /nfs/dbraw/zinc/16/55/11/678165511.db2.gz UQHQNGITDCLRMX-UHFFFAOYSA-N 1 1 309.370 -1.238 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)c1=O ZINC001072881161 678165673 /nfs/dbraw/zinc/16/56/73/678165673.db2.gz HNRPFEAMGGCRRK-UHFFFAOYSA-N 1 1 309.370 -1.502 20 0 DAADMO NC(=O)Cc1occc1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072921444 678166050 /nfs/dbraw/zinc/16/60/50/678166050.db2.gz DHYHSNWNJFINDF-UHFFFAOYSA-N 1 1 320.349 -1.059 20 0 DAADMO NC(=O)Cc1occc1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072921444 678166053 /nfs/dbraw/zinc/16/60/53/678166053.db2.gz DHYHSNWNJFINDF-UHFFFAOYSA-N 1 1 320.349 -1.059 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001072929386 678166277 /nfs/dbraw/zinc/16/62/77/678166277.db2.gz HADRYWRUDAKTSS-LLVKDONJSA-N 1 1 321.381 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1)NC1CC1 ZINC001072929386 678166278 /nfs/dbraw/zinc/16/62/78/678166278.db2.gz HADRYWRUDAKTSS-LLVKDONJSA-N 1 1 321.381 -1.519 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072937512 678166650 /nfs/dbraw/zinc/16/66/50/678166650.db2.gz DLTUDIXDVKDBHU-SNVBAGLBSA-N 1 1 304.354 -1.215 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CNC(=O)N4)C3)C2)C1=O ZINC001072931449 678166758 /nfs/dbraw/zinc/16/67/58/678166758.db2.gz GMXHEHCERCPPRE-QWRGUYRKSA-N 1 1 321.381 -1.567 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001072937467 678166928 /nfs/dbraw/zinc/16/69/28/678166928.db2.gz CCXVGNYAJWDZRC-UHFFFAOYSA-N 1 1 308.338 -1.845 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986392 678167226 /nfs/dbraw/zinc/16/72/26/678167226.db2.gz UJPXDQQAEGVQSQ-VWYCJHECSA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020123 678167828 /nfs/dbraw/zinc/16/78/28/678167828.db2.gz LCDWOLXCNOOTMS-UWVGGRQHSA-N 1 1 310.354 -1.500 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077015 678168212 /nfs/dbraw/zinc/16/82/12/678168212.db2.gz BASDZNSREBGZGJ-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060795 678168235 /nfs/dbraw/zinc/16/82/35/678168235.db2.gz LUHMULDNOAUACA-UHFFFAOYSA-N 1 1 310.354 -1.281 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073103831 678168280 /nfs/dbraw/zinc/16/82/80/678168280.db2.gz PAKUUCNKTXUFNZ-UHFFFAOYSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057455 678168286 /nfs/dbraw/zinc/16/82/86/678168286.db2.gz ZKNNHUJYWJOADH-VIFPVBQESA-N 1 1 322.365 -1.553 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073137694 678168646 /nfs/dbraw/zinc/16/86/46/678168646.db2.gz FWTAACMRUGXJIG-QWRGUYRKSA-N 1 1 306.366 -1.312 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001073112268 678168778 /nfs/dbraw/zinc/16/87/78/678168778.db2.gz SUYSCCDILXPYEG-UHFFFAOYSA-N 1 1 306.370 -1.030 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073108971 678168899 /nfs/dbraw/zinc/16/88/99/678168899.db2.gz PCCJIOZFRQKDLK-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073108971 678168900 /nfs/dbraw/zinc/16/89/00/678168900.db2.gz PCCJIOZFRQKDLK-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001073116655 678168963 /nfs/dbraw/zinc/16/89/63/678168963.db2.gz YJUICWMIEOCERT-LLVKDONJSA-N 1 1 323.397 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC001073116655 678168966 /nfs/dbraw/zinc/16/89/66/678168966.db2.gz YJUICWMIEOCERT-LLVKDONJSA-N 1 1 323.397 -1.061 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)n1 ZINC001073141692 678168997 /nfs/dbraw/zinc/16/89/97/678168997.db2.gz RMOZVDVNPFWLFF-UHFFFAOYSA-N 1 1 319.365 -1.429 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)n1 ZINC001073141692 678168999 /nfs/dbraw/zinc/16/89/99/678168999.db2.gz RMOZVDVNPFWLFF-UHFFFAOYSA-N 1 1 319.365 -1.429 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073410640 678170589 /nfs/dbraw/zinc/17/05/89/678170589.db2.gz JWSPEGJOBNPCTC-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001073412138 678170729 /nfs/dbraw/zinc/17/07/29/678170729.db2.gz BZJTXSNTCRPYMF-NSHDSACASA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412160 678170877 /nfs/dbraw/zinc/17/08/77/678170877.db2.gz CXTFAHCAVAUGMW-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412160 678170881 /nfs/dbraw/zinc/17/08/81/678170881.db2.gz CXTFAHCAVAUGMW-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073412389 678170904 /nfs/dbraw/zinc/17/09/04/678170904.db2.gz OECBZAWDQJDEPE-JTQLQIEISA-N 1 1 310.354 -1.499 20 0 DAADMO O=C(Cn1cncn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073408452 678170937 /nfs/dbraw/zinc/17/09/37/678170937.db2.gz SXUBAXWNXMVQMB-LLVKDONJSA-N 1 1 304.354 -1.299 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412934 678171178 /nfs/dbraw/zinc/17/11/78/678171178.db2.gz MFEUSWPBMTZNOJ-JTQLQIEISA-N 1 1 310.354 -1.547 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073441198 678171201 /nfs/dbraw/zinc/17/12/01/678171201.db2.gz BAVHDMBCEHTABX-ZDUSSCGKSA-N 1 1 311.382 -1.240 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)nn1 ZINC001073459116 678171204 /nfs/dbraw/zinc/17/12/04/678171204.db2.gz NBHFQEHEHCCRAJ-UHFFFAOYSA-N 1 1 322.369 -1.706 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ccccc3=O)C2)C1 ZINC001073416340 678171221 /nfs/dbraw/zinc/17/12/21/678171221.db2.gz BWTZMZAPBNHNLN-UHFFFAOYSA-N 1 1 304.350 -1.132 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ccccc3=O)C2)C1 ZINC001073416340 678171223 /nfs/dbraw/zinc/17/12/23/678171223.db2.gz BWTZMZAPBNHNLN-UHFFFAOYSA-N 1 1 304.350 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001073415064 678171288 /nfs/dbraw/zinc/17/12/88/678171288.db2.gz QCHJNXFYKUSKNI-UHFFFAOYSA-N 1 1 318.337 -1.791 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001073415064 678171292 /nfs/dbraw/zinc/17/12/92/678171292.db2.gz QCHJNXFYKUSKNI-UHFFFAOYSA-N 1 1 318.337 -1.791 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439080 678171366 /nfs/dbraw/zinc/17/13/66/678171366.db2.gz JXSOFUIXSHBRGN-MNOVXSKESA-N 1 1 317.411 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439082 678171566 /nfs/dbraw/zinc/17/15/66/678171566.db2.gz JXSOFUIXSHBRGN-WDEREUQCSA-N 1 1 317.411 -1.407 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073413466 678171684 /nfs/dbraw/zinc/17/16/84/678171684.db2.gz YEDMGTAICWJSPD-UHFFFAOYSA-N 1 1 309.326 -2.442 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073413466 678171686 /nfs/dbraw/zinc/17/16/86/678171686.db2.gz YEDMGTAICWJSPD-UHFFFAOYSA-N 1 1 309.326 -2.442 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414891 678171694 /nfs/dbraw/zinc/17/16/94/678171694.db2.gz MTVPYTUNSAEZEL-JTQLQIEISA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)nn1 ZINC001073459142 678171938 /nfs/dbraw/zinc/17/19/38/678171938.db2.gz OCQAOFIJGYEQHI-UHFFFAOYSA-N 1 1 308.342 -2.096 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492194 678171988 /nfs/dbraw/zinc/17/19/88/678171988.db2.gz YVXWOZVOEFWTPP-JTQLQIEISA-N 1 1 322.365 -1.681 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492194 678171989 /nfs/dbraw/zinc/17/19/89/678171989.db2.gz YVXWOZVOEFWTPP-JTQLQIEISA-N 1 1 322.365 -1.681 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073486191 678172012 /nfs/dbraw/zinc/17/20/12/678172012.db2.gz VGYBBWIDZKYDOO-MNOVXSKESA-N 1 1 323.397 -1.062 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073486192 678172077 /nfs/dbraw/zinc/17/20/77/678172077.db2.gz VGYBBWIDZKYDOO-QWRGUYRKSA-N 1 1 323.397 -1.062 20 0 DAADMO Cn1cc(CCC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)nn1 ZINC001073490163 678172132 /nfs/dbraw/zinc/17/21/32/678172132.db2.gz OWZYYMOTIOEPKM-UHFFFAOYSA-N 1 1 306.370 -1.233 20 0 DAADMO Cn1cc(CCC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)nn1 ZINC001073490163 678172135 /nfs/dbraw/zinc/17/21/35/678172135.db2.gz OWZYYMOTIOEPKM-UHFFFAOYSA-N 1 1 306.370 -1.233 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492195 678172251 /nfs/dbraw/zinc/17/22/51/678172251.db2.gz YVXWOZVOEFWTPP-SNVBAGLBSA-N 1 1 322.365 -1.681 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492195 678172254 /nfs/dbraw/zinc/17/22/54/678172254.db2.gz YVXWOZVOEFWTPP-SNVBAGLBSA-N 1 1 322.365 -1.681 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492148 678172275 /nfs/dbraw/zinc/17/22/75/678172275.db2.gz WXDFZVHCQBTCCL-QWRGUYRKSA-N 1 1 309.366 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564070 678174107 /nfs/dbraw/zinc/17/41/07/678174107.db2.gz QDEFKUGKGBKACW-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564070 678174108 /nfs/dbraw/zinc/17/41/08/678174108.db2.gz QDEFKUGKGBKACW-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073588665 678174620 /nfs/dbraw/zinc/17/46/20/678174620.db2.gz FSEIVRQBLYUROQ-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073588665 678174622 /nfs/dbraw/zinc/17/46/22/678174622.db2.gz FSEIVRQBLYUROQ-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582604 678174626 /nfs/dbraw/zinc/17/46/26/678174626.db2.gz OYGIXWQVMABCSA-VHSXEESVSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582604 678174628 /nfs/dbraw/zinc/17/46/28/678174628.db2.gz OYGIXWQVMABCSA-VHSXEESVSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582606 678174635 /nfs/dbraw/zinc/17/46/35/678174635.db2.gz OYGIXWQVMABCSA-ZJUUUORDSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582606 678174637 /nfs/dbraw/zinc/17/46/37/678174637.db2.gz OYGIXWQVMABCSA-ZJUUUORDSA-N 1 1 324.385 -1.303 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591536 678174848 /nfs/dbraw/zinc/17/48/48/678174848.db2.gz KEFQVFQCVKFYGF-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591536 678174851 /nfs/dbraw/zinc/17/48/51/678174851.db2.gz KEFQVFQCVKFYGF-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073594874 678175257 /nfs/dbraw/zinc/17/52/57/678175257.db2.gz APSSALHPNWZRTF-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073594874 678175258 /nfs/dbraw/zinc/17/52/58/678175258.db2.gz APSSALHPNWZRTF-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591948 678175260 /nfs/dbraw/zinc/17/52/60/678175260.db2.gz UYMKKKQUWVUSSE-JQWIXIFHSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591948 678175261 /nfs/dbraw/zinc/17/52/61/678175261.db2.gz UYMKKKQUWVUSSE-JQWIXIFHSA-N 1 1 324.385 -1.100 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593182 678175282 /nfs/dbraw/zinc/17/52/82/678175282.db2.gz HWRXJKASNKFXLU-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593182 678175283 /nfs/dbraw/zinc/17/52/83/678175283.db2.gz HWRXJKASNKFXLU-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593467 678175321 /nfs/dbraw/zinc/17/53/21/678175321.db2.gz OUQZHPGSMWNATA-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593467 678175323 /nfs/dbraw/zinc/17/53/23/678175323.db2.gz OUQZHPGSMWNATA-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073594872 678175467 /nfs/dbraw/zinc/17/54/67/678175467.db2.gz APSSALHPNWZRTF-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073594872 678175471 /nfs/dbraw/zinc/17/54/71/678175471.db2.gz APSSALHPNWZRTF-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620969 678176014 /nfs/dbraw/zinc/17/60/14/678176014.db2.gz SSKHJTPQGZWCCM-CMPLNLGQSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620969 678176017 /nfs/dbraw/zinc/17/60/17/678176017.db2.gz SSKHJTPQGZWCCM-CMPLNLGQSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642023 678176496 /nfs/dbraw/zinc/17/64/96/678176496.db2.gz GRQWYVNCMPBGGB-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654251 678176520 /nfs/dbraw/zinc/17/65/20/678176520.db2.gz COPSKUVFEWMXGY-UWVGGRQHSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654251 678176522 /nfs/dbraw/zinc/17/65/22/678176522.db2.gz COPSKUVFEWMXGY-UWVGGRQHSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648253 678176620 /nfs/dbraw/zinc/17/66/20/678176620.db2.gz WKBHCLRFKHQDCO-GXSJLCMTSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648253 678176621 /nfs/dbraw/zinc/17/66/21/678176621.db2.gz WKBHCLRFKHQDCO-GXSJLCMTSA-N 1 1 323.353 -1.123 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073681344 678177422 /nfs/dbraw/zinc/17/74/22/678177422.db2.gz LIOJMSNWKCLRNV-LBPRGKRZSA-N 1 1 324.381 -1.063 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073681343 678177455 /nfs/dbraw/zinc/17/74/55/678177455.db2.gz LIOJMSNWKCLRNV-GFCCVEGCSA-N 1 1 324.381 -1.063 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073722826 678178461 /nfs/dbraw/zinc/17/84/61/678178461.db2.gz SUAISMCJTDIQHC-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073722826 678178464 /nfs/dbraw/zinc/17/84/64/678178464.db2.gz SUAISMCJTDIQHC-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)NC1=O ZINC001073727081 678179112 /nfs/dbraw/zinc/17/91/12/678179112.db2.gz SJWQUEFYNSZKRH-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734262 678179238 /nfs/dbraw/zinc/17/92/38/678179238.db2.gz QXBZDJBGTTZDLR-KVSVUVNWSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734262 678179240 /nfs/dbraw/zinc/17/92/40/678179240.db2.gz QXBZDJBGTTZDLR-KVSVUVNWSA-N 1 1 311.382 -1.040 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751806 678179989 /nfs/dbraw/zinc/17/99/89/678179989.db2.gz IRKUJZSYAAUOLW-GHMZBOCLSA-N 1 1 300.359 -1.479 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)C1CC(=O)NC(=O)C1 ZINC001073819046 678180410 /nfs/dbraw/zinc/18/04/10/678180410.db2.gz WFWUUNDMCMWZKX-NSHDSACASA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828492 678181314 /nfs/dbraw/zinc/18/13/14/678181314.db2.gz WKIIIBBCMDQPBU-ONGXEEELSA-N 1 1 309.326 -1.221 20 0 DAADMO O=C(NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828492 678181317 /nfs/dbraw/zinc/18/13/17/678181317.db2.gz WKIIIBBCMDQPBU-ONGXEEELSA-N 1 1 309.326 -1.221 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073830975 678181359 /nfs/dbraw/zinc/18/13/59/678181359.db2.gz RXSWRTAWTCPNKD-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073830977 678181380 /nfs/dbraw/zinc/18/13/80/678181380.db2.gz RXSWRTAWTCPNKD-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896323 678182833 /nfs/dbraw/zinc/18/28/33/678182833.db2.gz PUQRQXOXAWKZEU-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)ccc1=O ZINC001073880927 678182952 /nfs/dbraw/zinc/18/29/52/678182952.db2.gz XBMJZUBFYQZUGE-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001073893580 678183335 /nfs/dbraw/zinc/18/33/35/678183335.db2.gz WRRXCSQZKMOPMT-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073880162 678183325 /nfs/dbraw/zinc/18/33/25/678183325.db2.gz ALGZZRMHZDMCHM-JTQLQIEISA-N 1 1 323.353 -1.612 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)n(C)c1=O ZINC001073905012 678183532 /nfs/dbraw/zinc/18/35/32/678183532.db2.gz SDRPXQDNMDAAGR-LLVKDONJSA-N 1 1 312.370 -1.463 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)n(C)c1=O ZINC001073905013 678183738 /nfs/dbraw/zinc/18/37/38/678183738.db2.gz SDRPXQDNMDAAGR-NSHDSACASA-N 1 1 312.370 -1.463 20 0 DAADMO CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073898791 678183744 /nfs/dbraw/zinc/18/37/44/678183744.db2.gz BYRWUGYPVNWOBS-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC001073944705 678184225 /nfs/dbraw/zinc/18/42/25/678184225.db2.gz HRKDJUSRDMAWOL-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](C[C@H]1CCCCN1C(=O)C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001074058502 678185509 /nfs/dbraw/zinc/18/55/09/678185509.db2.gz DFICPLQLIFGQJY-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001074058502 678185513 /nfs/dbraw/zinc/18/55/13/678185513.db2.gz DFICPLQLIFGQJY-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074160572 678186548 /nfs/dbraw/zinc/18/65/48/678186548.db2.gz UISCTGRZELZSIQ-VXGBXAGGSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074160572 678186553 /nfs/dbraw/zinc/18/65/53/678186553.db2.gz UISCTGRZELZSIQ-VXGBXAGGSA-N 1 1 310.358 -1.379 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 ZINC001074299775 678190417 /nfs/dbraw/zinc/19/04/17/678190417.db2.gz KHUJUQKNCQUMAT-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400112 678193878 /nfs/dbraw/zinc/19/38/78/678193878.db2.gz OWJKKMHWFDMRAV-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400112 678193883 /nfs/dbraw/zinc/19/38/83/678193883.db2.gz OWJKKMHWFDMRAV-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@@H]2C1 ZINC001074407091 678193961 /nfs/dbraw/zinc/19/39/61/678193961.db2.gz ARBRWJDSMCVLHW-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 ZINC001074407093 678194011 /nfs/dbraw/zinc/19/40/11/678194011.db2.gz ARBRWJDSMCVLHW-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074642486 678199178 /nfs/dbraw/zinc/19/91/78/678199178.db2.gz WFVNFGDSKWXGDG-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)c1nnnn1C ZINC001074654523 678199387 /nfs/dbraw/zinc/19/93/87/678199387.db2.gz WUMBSFQPVGPYDY-UTLUCORTSA-N 1 1 320.361 -1.463 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074656622 678199525 /nfs/dbraw/zinc/19/95/25/678199525.db2.gz TXNZFDVEZPIASH-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798319 678204639 /nfs/dbraw/zinc/20/46/39/678204639.db2.gz HKLQRUOIQXNSRI-GUBZILKMSA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798538 678204676 /nfs/dbraw/zinc/20/46/76/678204676.db2.gz OTMWUDUCDMVUOE-DCAQKATOSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074842168 678205180 /nfs/dbraw/zinc/20/51/80/678205180.db2.gz NWLVGMHTGDZTSS-XHNCKOQMSA-N 1 1 308.346 -2.030 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074844687 678205506 /nfs/dbraw/zinc/20/55/06/678205506.db2.gz SRSPPQIJFCCELZ-LPEHRKFASA-N 1 1 307.358 -1.425 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074844637 678205551 /nfs/dbraw/zinc/20/55/51/678205551.db2.gz OXPHSVQVSNAJTH-GUBZILKMSA-N 1 1 307.358 -1.425 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074922980 678206727 /nfs/dbraw/zinc/20/67/27/678206727.db2.gz DRBFAKMSVPLJOO-HGNGGELXSA-N 1 1 322.325 -1.253 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001067080991 678215055 /nfs/dbraw/zinc/21/50/55/678215055.db2.gz YWWKDVFPRBVXKZ-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001067080991 678215049 /nfs/dbraw/zinc/21/50/49/678215049.db2.gz YWWKDVFPRBVXKZ-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001020328053 678218134 /nfs/dbraw/zinc/21/81/34/678218134.db2.gz PLMLHKDXGZCPPC-MGCOHNPYSA-N 1 1 321.341 -1.290 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnsn3)C2)c1=O ZINC001020327990 678218379 /nfs/dbraw/zinc/21/83/79/678218379.db2.gz NSVAXYBUBBBBSY-KYZUINATSA-N 1 1 323.382 -1.130 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001020327727 678218389 /nfs/dbraw/zinc/21/83/89/678218389.db2.gz KJSFBKXUNVUNJJ-MGCOHNPYSA-N 1 1 320.357 -1.853 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)CC1=O ZINC001038313834 678219226 /nfs/dbraw/zinc/21/92/26/678219226.db2.gz YUYZNQUCSPBKGX-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)CC1=O ZINC001038313834 678219231 /nfs/dbraw/zinc/21/92/31/678219231.db2.gz YUYZNQUCSPBKGX-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039895 678221025 /nfs/dbraw/zinc/22/10/25/678221025.db2.gz QDFDAFCBYARJSU-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039895 678221027 /nfs/dbraw/zinc/22/10/27/678221027.db2.gz QDFDAFCBYARJSU-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001038936944 678221216 /nfs/dbraw/zinc/22/12/16/678221216.db2.gz QJXQVTVWLLBYFI-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001038936944 678221219 /nfs/dbraw/zinc/22/12/19/678221219.db2.gz QJXQVTVWLLBYFI-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001038921655 678221276 /nfs/dbraw/zinc/22/12/76/678221276.db2.gz MUCCTODIACCASD-IUCAKERBSA-N 1 1 306.326 -1.398 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC1=O ZINC001039414458 678222580 /nfs/dbraw/zinc/22/25/80/678222580.db2.gz FVAHADBCSPWEST-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCNC1=O ZINC001039414458 678222582 /nfs/dbraw/zinc/22/25/82/678222582.db2.gz FVAHADBCSPWEST-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001039467626 678222961 /nfs/dbraw/zinc/22/29/61/678222961.db2.gz UPJSTVROMFAIBG-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001039467626 678222962 /nfs/dbraw/zinc/22/29/62/678222962.db2.gz UPJSTVROMFAIBG-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001039755939 678228475 /nfs/dbraw/zinc/22/84/75/678228475.db2.gz BNWCOUZSYLXSIB-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001039760043 678228492 /nfs/dbraw/zinc/22/84/92/678228492.db2.gz GKBQDCZXQKYQPS-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001039760046 678228498 /nfs/dbraw/zinc/22/84/98/678228498.db2.gz GKBQDCZXQKYQPS-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cnon3)C2)C1 ZINC001039759872 678228665 /nfs/dbraw/zinc/22/86/65/678228665.db2.gz CLLCTADAWPHEQB-YGRLFVJLSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001039946343 678230865 /nfs/dbraw/zinc/23/08/65/678230865.db2.gz OJPMZJSSFLELGL-TXEJJXNPSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001039995663 678230876 /nfs/dbraw/zinc/23/08/76/678230876.db2.gz RDFLYLHUAQOYLZ-TXEJJXNPSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)nn1 ZINC001040017659 678231349 /nfs/dbraw/zinc/23/13/49/678231349.db2.gz ZEGWBGXKVCIMEL-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)nn1 ZINC001040017659 678231352 /nfs/dbraw/zinc/23/13/52/678231352.db2.gz ZEGWBGXKVCIMEL-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001040008538 678231391 /nfs/dbraw/zinc/23/13/91/678231391.db2.gz BLOIYVMCPYEMHX-GRYCIOLGSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001040008538 678231393 /nfs/dbraw/zinc/23/13/93/678231393.db2.gz BLOIYVMCPYEMHX-GRYCIOLGSA-N 1 1 317.411 -1.264 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040100839 678232580 /nfs/dbraw/zinc/23/25/80/678232580.db2.gz ROVDGKUXYVCZRZ-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040107878 678233213 /nfs/dbraw/zinc/23/32/13/678233213.db2.gz PAGVWHVMMVAKML-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040107880 678233383 /nfs/dbraw/zinc/23/33/83/678233383.db2.gz PAGVWHVMMVAKML-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040206438 678234207 /nfs/dbraw/zinc/23/42/07/678234207.db2.gz WLCOIPKKXNMRMI-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001040188523 678234367 /nfs/dbraw/zinc/23/43/67/678234367.db2.gz SBMNLZPUXMWKKB-YGRLFVJLSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001040188523 678234369 /nfs/dbraw/zinc/23/43/69/678234369.db2.gz SBMNLZPUXMWKKB-YGRLFVJLSA-N 1 1 310.354 -1.105 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040265222 678236087 /nfs/dbraw/zinc/23/60/87/678236087.db2.gz KRFPDPBNWBOSHG-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040265222 678236088 /nfs/dbraw/zinc/23/60/88/678236088.db2.gz KRFPDPBNWBOSHG-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040265222 678236093 /nfs/dbraw/zinc/23/60/93/678236093.db2.gz KRFPDPBNWBOSHG-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040267667 678237161 /nfs/dbraw/zinc/23/71/61/678237161.db2.gz CZGHEOKCEVRVTK-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040267667 678237165 /nfs/dbraw/zinc/23/71/65/678237165.db2.gz CZGHEOKCEVRVTK-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040267667 678237169 /nfs/dbraw/zinc/23/71/69/678237169.db2.gz CZGHEOKCEVRVTK-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269069 678237176 /nfs/dbraw/zinc/23/71/76/678237176.db2.gz NYNLVUPIDXJVMM-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269069 678237181 /nfs/dbraw/zinc/23/71/81/678237181.db2.gz NYNLVUPIDXJVMM-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269069 678237184 /nfs/dbraw/zinc/23/71/84/678237184.db2.gz NYNLVUPIDXJVMM-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269878 678237455 /nfs/dbraw/zinc/23/74/55/678237455.db2.gz XHWJSVDNAGRULU-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040363703 678239578 /nfs/dbraw/zinc/23/95/78/678239578.db2.gz IDGYGXYFGKNDDP-IINYFYTJSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040363703 678239580 /nfs/dbraw/zinc/23/95/80/678239580.db2.gz IDGYGXYFGKNDDP-IINYFYTJSA-N 1 1 309.370 -1.532 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040352067 678239618 /nfs/dbraw/zinc/23/96/18/678239618.db2.gz OTCGPIAQADGAJV-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001040429913 678240716 /nfs/dbraw/zinc/24/07/16/678240716.db2.gz KOKZSCYWNKOPFS-FYAIKVRKSA-N 1 1 323.393 -1.051 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040456794 678241168 /nfs/dbraw/zinc/24/11/68/678241168.db2.gz RJIHBBFMSGXVTF-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040545335 678243415 /nfs/dbraw/zinc/24/34/15/678243415.db2.gz UEIZKQPJVQTXSJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040545335 678243417 /nfs/dbraw/zinc/24/34/17/678243417.db2.gz UEIZKQPJVQTXSJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040551814 678245667 /nfs/dbraw/zinc/24/56/67/678245667.db2.gz WQTOUUZPFHJBJO-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040551814 678245671 /nfs/dbraw/zinc/24/56/71/678245671.db2.gz WQTOUUZPFHJBJO-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040551814 678245674 /nfs/dbraw/zinc/24/56/74/678245674.db2.gz WQTOUUZPFHJBJO-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040551814 678245678 /nfs/dbraw/zinc/24/56/78/678245678.db2.gz WQTOUUZPFHJBJO-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040551814 678245682 /nfs/dbraw/zinc/24/56/82/678245682.db2.gz WQTOUUZPFHJBJO-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001040663918 678247895 /nfs/dbraw/zinc/24/78/95/678247895.db2.gz AJQVHIYFHIDMDM-BXUZGUMPSA-N 1 1 323.353 -1.143 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040745387 678251689 /nfs/dbraw/zinc/25/16/89/678251689.db2.gz AKZZFGPBOCFJFW-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040745448 678251708 /nfs/dbraw/zinc/25/17/08/678251708.db2.gz BVIVJEXYDZHLKA-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040747723 678252629 /nfs/dbraw/zinc/25/26/29/678252629.db2.gz UZUMXVRITSEFSE-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749068 678253121 /nfs/dbraw/zinc/25/31/21/678253121.db2.gz GJOIXIZNMGFPJA-NOZJJQNGSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749068 678253122 /nfs/dbraw/zinc/25/31/22/678253122.db2.gz GJOIXIZNMGFPJA-NOZJJQNGSA-N 1 1 314.342 -3.118 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001040796722 678256143 /nfs/dbraw/zinc/25/61/43/678256143.db2.gz ZKVQDRYYEJYDOM-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001040797418 678256194 /nfs/dbraw/zinc/25/61/94/678256194.db2.gz GFLCJGPHKWJZEB-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040829212 678256847 /nfs/dbraw/zinc/25/68/47/678256847.db2.gz YYWWNCVRXLGDNC-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040901711 678257498 /nfs/dbraw/zinc/25/74/98/678257498.db2.gz MIXUZSGLBAFDML-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040921878 678257837 /nfs/dbraw/zinc/25/78/37/678257837.db2.gz FKFQRFPMTKOAGN-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001040952668 678259381 /nfs/dbraw/zinc/25/93/81/678259381.db2.gz YZQSMAOVWBFUDS-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001040952668 678259385 /nfs/dbraw/zinc/25/93/85/678259385.db2.gz YZQSMAOVWBFUDS-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041050468 678262487 /nfs/dbraw/zinc/26/24/87/678262487.db2.gz IYLVGFISOJZJDM-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041050468 678262492 /nfs/dbraw/zinc/26/24/92/678262492.db2.gz IYLVGFISOJZJDM-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001041075515 678263734 /nfs/dbraw/zinc/26/37/34/678263734.db2.gz WCBQFNQVSPPZFA-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041087134 678264106 /nfs/dbraw/zinc/26/41/06/678264106.db2.gz JPMYFBUGGONLNG-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041087134 678264111 /nfs/dbraw/zinc/26/41/11/678264111.db2.gz JPMYFBUGGONLNG-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041152276 678266498 /nfs/dbraw/zinc/26/64/98/678266498.db2.gz JRESRLFMIUSDOS-MEBBXXQBSA-N 1 1 322.365 -1.409 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001041154668 678266565 /nfs/dbraw/zinc/26/65/65/678266565.db2.gz XMGKMXJLIWLTJD-UHFFFAOYSA-N 1 1 315.370 -1.955 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041157413 678266923 /nfs/dbraw/zinc/26/69/23/678266923.db2.gz GELYFNOODIKWGZ-OAHLLOKOSA-N 1 1 323.397 -1.189 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001041161347 678267369 /nfs/dbraw/zinc/26/73/69/678267369.db2.gz ZEZCHNWOWGZXPZ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001041161347 678267371 /nfs/dbraw/zinc/26/73/71/678267371.db2.gz ZEZCHNWOWGZXPZ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041168113 678269173 /nfs/dbraw/zinc/26/91/73/678269173.db2.gz UGIMNFYCVBEXHD-SWLSCSKDSA-N 1 1 310.398 -1.273 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001041212773 678271416 /nfs/dbraw/zinc/27/14/16/678271416.db2.gz NFPVOAGXOYMHAS-NSHDSACASA-N 1 1 312.370 -2.236 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041227378 678272062 /nfs/dbraw/zinc/27/20/62/678272062.db2.gz IJJJMGKXNPZMNJ-SWLSCSKDSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001041237933 678272092 /nfs/dbraw/zinc/27/20/92/678272092.db2.gz CCCGLICCWLKPKG-QMTHXVAHSA-N 1 1 310.354 -1.235 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 ZINC001041254486 678272587 /nfs/dbraw/zinc/27/25/87/678272587.db2.gz BHCLHAVGYNKHIJ-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnccn3)C2)C1 ZINC001041261451 678273069 /nfs/dbraw/zinc/27/30/69/678273069.db2.gz LRRHVGPZSRZCOL-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC3=O)C2)nc(C)[nH+]1 ZINC001041275235 678273474 /nfs/dbraw/zinc/27/34/74/678273474.db2.gz GYIYLTDTGDIXTN-IJLUTSLNSA-N 1 1 319.365 -1.105 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)nc(C)[nH+]1 ZINC001041275239 678273575 /nfs/dbraw/zinc/27/35/75/678273575.db2.gz GYIYLTDTGDIXTN-QJPTWQEYSA-N 1 1 319.365 -1.105 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287209 678273965 /nfs/dbraw/zinc/27/39/65/678273965.db2.gz AGENDWCCKLEMSP-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287241 678273990 /nfs/dbraw/zinc/27/39/90/678273990.db2.gz AODRUXBOJZRTGR-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287236 678274011 /nfs/dbraw/zinc/27/40/11/678274011.db2.gz AODRUXBOJZRTGR-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287218 678274095 /nfs/dbraw/zinc/27/40/95/678274095.db2.gz AGENDWCCKLEMSP-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001041289466 678274388 /nfs/dbraw/zinc/27/43/88/678274388.db2.gz IBIMJUFIWNTHLN-SMDDNHRTSA-N 1 1 319.369 -1.514 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041290760 678274447 /nfs/dbraw/zinc/27/44/47/678274447.db2.gz PMDQAGMQWSQZSU-ZWNOBZJWSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041290754 678274676 /nfs/dbraw/zinc/27/46/76/678274676.db2.gz PMDQAGMQWSQZSU-MFKMUULPSA-N 1 1 307.358 -1.529 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041321636 678276213 /nfs/dbraw/zinc/27/62/13/678276213.db2.gz KMRWAUFEYZMZFT-ZDUSSCGKSA-N 1 1 302.396 -1.052 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001041315217 678276243 /nfs/dbraw/zinc/27/62/43/678276243.db2.gz FJDPYWILVVCKDS-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC001041323106 678276748 /nfs/dbraw/zinc/27/67/48/678276748.db2.gz JUVGXNQOVTYQGF-AWEZNQCLSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC001041323107 678276975 /nfs/dbraw/zinc/27/69/75/678276975.db2.gz JUVGXNQOVTYQGF-CQSZACIVSA-N 1 1 306.370 -1.052 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1=O ZINC001041338348 678278637 /nfs/dbraw/zinc/27/86/37/678278637.db2.gz GKLRULHGXNLFCF-XHDPSFHLSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001041349638 678279352 /nfs/dbraw/zinc/27/93/52/678279352.db2.gz JESAGNHVGBXYOP-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041363206 678280617 /nfs/dbraw/zinc/28/06/17/678280617.db2.gz NVOVMDTUPMGPHS-OAHLLOKOSA-N 1 1 311.382 -1.238 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)C1 ZINC001041408262 678286010 /nfs/dbraw/zinc/28/60/10/678286010.db2.gz QQGSSKOQNOXXTB-JTQLQIEISA-N 1 1 323.357 -2.686 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCO)C3)C2)c1=O ZINC001041421902 678286592 /nfs/dbraw/zinc/28/65/92/678286592.db2.gz LFGJNZVQBBUSJT-OAHLLOKOSA-N 1 1 323.397 -1.111 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041450748 678287997 /nfs/dbraw/zinc/28/79/97/678287997.db2.gz WKTAHHNNZVRGBR-HNNXBMFYSA-N 1 1 322.365 -1.134 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cccn3)C2)C1 ZINC001041464929 678288780 /nfs/dbraw/zinc/28/87/80/678288780.db2.gz XBTOCEJCOFMGAF-LBPRGKRZSA-N 1 1 321.381 -1.476 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CNC(=O)C1 ZINC001041497144 678289688 /nfs/dbraw/zinc/28/96/88/678289688.db2.gz FVEMLZAZLNRIAB-LSDHHAIUSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041539044 678290620 /nfs/dbraw/zinc/29/06/20/678290620.db2.gz CWIFTTJSTQCSRO-MRXNPFEDSA-N 1 1 324.425 -1.275 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540043 678290717 /nfs/dbraw/zinc/29/07/17/678290717.db2.gz LCXGLFAKCGKBQZ-HNNXBMFYSA-N 1 1 323.397 -2.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041563824 678291097 /nfs/dbraw/zinc/29/10/97/678291097.db2.gz LTVFCROJTRBMIM-RNCFNFMXSA-N 1 1 307.358 -1.378 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001041543291 678291138 /nfs/dbraw/zinc/29/11/38/678291138.db2.gz HQPTYYFGVCONRZ-YGRLFVJLSA-N 1 1 309.370 -1.580 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041544023 678291155 /nfs/dbraw/zinc/29/11/55/678291155.db2.gz MNARNGQLAVXBIP-IAQYHMDHSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1=O ZINC001041569731 678291345 /nfs/dbraw/zinc/29/13/45/678291345.db2.gz MFITWVIOSBXLCY-XHDPSFHLSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041600674 678292754 /nfs/dbraw/zinc/29/27/54/678292754.db2.gz DSRQUJZCUCVCHJ-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041600674 678292756 /nfs/dbraw/zinc/29/27/56/678292756.db2.gz DSRQUJZCUCVCHJ-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041604395 678293812 /nfs/dbraw/zinc/29/38/12/678293812.db2.gz RRGLESMWWKLVCB-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041609172 678294140 /nfs/dbraw/zinc/29/41/40/678294140.db2.gz RYACFBPGTORMBB-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041609170 678294191 /nfs/dbraw/zinc/29/41/91/678294191.db2.gz RYACFBPGTORMBB-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001041614233 678294218 /nfs/dbraw/zinc/29/42/18/678294218.db2.gz JEJKWBGFLKJISA-HZMBPMFUSA-N 1 1 309.370 -1.662 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613770 678294270 /nfs/dbraw/zinc/29/42/70/678294270.db2.gz HLJWHWGJVBRBQK-GFCCVEGCSA-N 1 1 303.384 -1.559 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613770 678294271 /nfs/dbraw/zinc/29/42/71/678294271.db2.gz HLJWHWGJVBRBQK-GFCCVEGCSA-N 1 1 303.384 -1.559 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613771 678294305 /nfs/dbraw/zinc/29/43/05/678294305.db2.gz HLJWHWGJVBRBQK-LBPRGKRZSA-N 1 1 303.384 -1.559 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041613771 678294308 /nfs/dbraw/zinc/29/43/08/678294308.db2.gz HLJWHWGJVBRBQK-LBPRGKRZSA-N 1 1 303.384 -1.559 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041623129 678294774 /nfs/dbraw/zinc/29/47/74/678294774.db2.gz LUDSUPUEDKLEJR-XPTSAGLGSA-N 1 1 308.338 -1.799 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041623127 678294837 /nfs/dbraw/zinc/29/48/37/678294837.db2.gz LUDSUPUEDKLEJR-LKFCYVNXSA-N 1 1 308.338 -1.799 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001041616137 678295131 /nfs/dbraw/zinc/29/51/31/678295131.db2.gz KZCNJFVGRVNCHM-XHDPSFHLSA-N 1 1 323.397 -1.320 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001041629272 678295275 /nfs/dbraw/zinc/29/52/75/678295275.db2.gz OMZVNDANRVROLO-CQSZACIVSA-N 1 1 323.353 -2.052 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CCNC1=O ZINC001041673082 678298087 /nfs/dbraw/zinc/29/80/87/678298087.db2.gz TZDJZPKAXOEHSF-HUUCEWRRSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041717166 678300424 /nfs/dbraw/zinc/30/04/24/678300424.db2.gz LTBBGVGLCNPJDQ-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001041735248 678300621 /nfs/dbraw/zinc/30/06/21/678300621.db2.gz KGXPWCCNGXMCII-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744193 678300967 /nfs/dbraw/zinc/30/09/67/678300967.db2.gz YGFRNIISSPPOGA-IAQYHMDHSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744173 678301004 /nfs/dbraw/zinc/30/10/04/678301004.db2.gz XMGOXGAPMLAAFD-CQSZACIVSA-N 1 1 323.353 -2.052 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820467 678304137 /nfs/dbraw/zinc/30/41/37/678304137.db2.gz QWTGRSUWEAMYCA-IAQYHMDHSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001041846039 678304630 /nfs/dbraw/zinc/30/46/30/678304630.db2.gz WACUQLKCXHFDDJ-AWEZNQCLSA-N 1 1 322.369 -1.706 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)nn1 ZINC001041846044 678304636 /nfs/dbraw/zinc/30/46/36/678304636.db2.gz WACUQLKCXHFDDJ-CQSZACIVSA-N 1 1 322.369 -1.706 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)n(C)c1=O ZINC001041849195 678304705 /nfs/dbraw/zinc/30/47/05/678304705.db2.gz SEBKMGBUEMXERW-HNNXBMFYSA-N 1 1 321.381 -1.253 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001041873298 678305819 /nfs/dbraw/zinc/30/58/19/678305819.db2.gz CPIUYVSYAPPHFL-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001041930056 678308202 /nfs/dbraw/zinc/30/82/02/678308202.db2.gz WOQSRFRSQNHJHG-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042022358 678310612 /nfs/dbraw/zinc/31/06/12/678310612.db2.gz XBENGFDYAOWEBV-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042018915 678310751 /nfs/dbraw/zinc/31/07/51/678310751.db2.gz BKJWIUDMGCSARX-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042018915 678310753 /nfs/dbraw/zinc/31/07/53/678310753.db2.gz BKJWIUDMGCSARX-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)C1 ZINC001042033106 678311306 /nfs/dbraw/zinc/31/13/06/678311306.db2.gz QPAPESALRQROOU-WCQYABFASA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)C1 ZINC001042033106 678311311 /nfs/dbraw/zinc/31/13/11/678311311.db2.gz QPAPESALRQROOU-WCQYABFASA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)n1 ZINC001042066888 678312570 /nfs/dbraw/zinc/31/25/70/678312570.db2.gz LKISQLURVZRQSS-QWRGUYRKSA-N 1 1 322.369 -1.708 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042064371 678312609 /nfs/dbraw/zinc/31/26/09/678312609.db2.gz SNVYINXEYZNZCI-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042077772 678313860 /nfs/dbraw/zinc/31/38/60/678313860.db2.gz PCYMSVPDXRRVJO-PWSUYJOCSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042077772 678313862 /nfs/dbraw/zinc/31/38/62/678313862.db2.gz PCYMSVPDXRRVJO-PWSUYJOCSA-N 1 1 302.396 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 ZINC001042076865 678313901 /nfs/dbraw/zinc/31/39/01/678313901.db2.gz XPKMHPPTRQOHPI-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001042071707 678313952 /nfs/dbraw/zinc/31/39/52/678313952.db2.gz YKVSYAJHXQWADK-GHMZBOCLSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001042092278 678314622 /nfs/dbraw/zinc/31/46/22/678314622.db2.gz LWEAHWGOTFYMNZ-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001042103178 678314982 /nfs/dbraw/zinc/31/49/82/678314982.db2.gz CHTKSYWUEXKPHR-OZVIIMIRSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccncn2)C1 ZINC001042099032 678315356 /nfs/dbraw/zinc/31/53/56/678315356.db2.gz YZHFXXMSBNGJDC-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cnnn2)C1 ZINC001042092824 678315428 /nfs/dbraw/zinc/31/54/28/678315428.db2.gz RJBRYDAMYSDZJW-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001042098066 678315435 /nfs/dbraw/zinc/31/54/35/678315435.db2.gz MSHBSFJUJXDPJC-NSHDSACASA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001042103104 678315485 /nfs/dbraw/zinc/31/54/85/678315485.db2.gz AVSKLKDWXGHJCL-VWYCJHECSA-N 1 1 324.381 -2.109 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042098659 678315559 /nfs/dbraw/zinc/31/55/59/678315559.db2.gz USBKGCQKTPDVHA-NWDGAFQWSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001042097760 678315576 /nfs/dbraw/zinc/31/55/76/678315576.db2.gz JLISALWYURKEKM-SNVBAGLBSA-N 1 1 307.354 -1.193 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042104902 678315998 /nfs/dbraw/zinc/31/59/98/678315998.db2.gz UHBYMRAEXJHOGG-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042104902 678316001 /nfs/dbraw/zinc/31/60/01/678316001.db2.gz UHBYMRAEXJHOGG-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001042104882 678316100 /nfs/dbraw/zinc/31/61/00/678316100.db2.gz SYTHDPPCJKVGBG-QNWHQSFQSA-N 1 1 323.393 -1.338 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccnnc2)C1 ZINC001042104180 678316137 /nfs/dbraw/zinc/31/61/37/678316137.db2.gz LYXLJTQJBOUIPG-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001042105287 678316142 /nfs/dbraw/zinc/31/61/42/678316142.db2.gz YLBFHDSJUNAOAG-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042104903 678316194 /nfs/dbraw/zinc/31/61/94/678316194.db2.gz UHBYMRAEXJHOGG-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042104903 678316198 /nfs/dbraw/zinc/31/61/98/678316198.db2.gz UHBYMRAEXJHOGG-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042104905 678316273 /nfs/dbraw/zinc/31/62/73/678316273.db2.gz UHBYMRAEXJHOGG-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042104905 678316277 /nfs/dbraw/zinc/31/62/77/678316277.db2.gz UHBYMRAEXJHOGG-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)CC1=O ZINC001042120231 678316615 /nfs/dbraw/zinc/31/66/15/678316615.db2.gz QKCOGMPJGGWLGS-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001042136435 678317018 /nfs/dbraw/zinc/31/70/18/678317018.db2.gz VHMKMBXYJHAELB-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001042136435 678317020 /nfs/dbraw/zinc/31/70/20/678317020.db2.gz VHMKMBXYJHAELB-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)c1=O ZINC001042163163 678317594 /nfs/dbraw/zinc/31/75/94/678317594.db2.gz PLNKMOFRMNWFAS-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)ncc1=O ZINC001042159937 678317611 /nfs/dbraw/zinc/31/76/11/678317611.db2.gz IJIQHAHCLFKKLV-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)ncc1=O ZINC001042159937 678317615 /nfs/dbraw/zinc/31/76/15/678317615.db2.gz IJIQHAHCLFKKLV-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182026 678317629 /nfs/dbraw/zinc/31/76/29/678317629.db2.gz BLRZGQSLVIWCHK-RYUDHWBXSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042182026 678317631 /nfs/dbraw/zinc/31/76/31/678317631.db2.gz BLRZGQSLVIWCHK-RYUDHWBXSA-N 1 1 323.397 -2.174 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189626 678318321 /nfs/dbraw/zinc/31/83/21/678318321.db2.gz JCMQKSIPLAGUKU-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189626 678318322 /nfs/dbraw/zinc/31/83/22/678318322.db2.gz JCMQKSIPLAGUKU-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042185735 678318410 /nfs/dbraw/zinc/31/84/10/678318410.db2.gz XEQLSSJHUKVSIA-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042210717 678319028 /nfs/dbraw/zinc/31/90/28/678319028.db2.gz LYUDYVBJMQKTPE-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3ccon3)C2)C1 ZINC001042217216 678320322 /nfs/dbraw/zinc/32/03/22/678320322.db2.gz UVMPXRYGVOYPPF-NSHDSACASA-N 1 1 322.365 -1.142 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223373 678321194 /nfs/dbraw/zinc/32/11/94/678321194.db2.gz LPUPEAXOTMVKFK-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223387 678321259 /nfs/dbraw/zinc/32/12/59/678321259.db2.gz MFPUAVMZPHRRLU-ZJUUUORDSA-N 1 1 312.370 -2.251 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223386 678321279 /nfs/dbraw/zinc/32/12/79/678321279.db2.gz MFPUAVMZPHRRLU-VHSXEESVSA-N 1 1 312.370 -2.251 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)CC[N@H+]1C ZINC001042232006 678322844 /nfs/dbraw/zinc/32/28/44/678322844.db2.gz RZMKEHDFJJRIED-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC=CC3)C2)C1 ZINC001042240345 678322897 /nfs/dbraw/zinc/32/28/97/678322897.db2.gz RUQUYQLDYXQCEP-CYBMUJFWSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC=CC3)C2)C1 ZINC001042240345 678322900 /nfs/dbraw/zinc/32/29/00/678322900.db2.gz RUQUYQLDYXQCEP-CYBMUJFWSA-N 1 1 323.393 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042264032 678323283 /nfs/dbraw/zinc/32/32/83/678323283.db2.gz CIXWODNFNXIYEP-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042259345 678323316 /nfs/dbraw/zinc/32/33/16/678323316.db2.gz KYODZTYKUPBVDF-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042264754 678323585 /nfs/dbraw/zinc/32/35/85/678323585.db2.gz BGUFKRGZOKZWAX-ZYHUDNBSSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042264958 678323869 /nfs/dbraw/zinc/32/38/69/678323869.db2.gz BTJZVSWBNUDMMR-KOLCDFICSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042264958 678323873 /nfs/dbraw/zinc/32/38/73/678323873.db2.gz BTJZVSWBNUDMMR-KOLCDFICSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273619 678323972 /nfs/dbraw/zinc/32/39/72/678323972.db2.gz UBMHSVPTRBJYCM-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273619 678323975 /nfs/dbraw/zinc/32/39/75/678323975.db2.gz UBMHSVPTRBJYCM-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001042294474 678324153 /nfs/dbraw/zinc/32/41/53/678324153.db2.gz DYURSDIBTILTQP-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001042294474 678324157 /nfs/dbraw/zinc/32/41/57/678324157.db2.gz DYURSDIBTILTQP-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273626 678324479 /nfs/dbraw/zinc/32/44/79/678324479.db2.gz UBMHSVPTRBJYCM-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273626 678324480 /nfs/dbraw/zinc/32/44/80/678324480.db2.gz UBMHSVPTRBJYCM-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(C)(F)F)C2)C1 ZINC001042294431 678324488 /nfs/dbraw/zinc/32/44/88/678324488.db2.gz CXVZKPGQWNAUPJ-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(C)(F)F)C2)C1 ZINC001042294431 678324490 /nfs/dbraw/zinc/32/44/90/678324490.db2.gz CXVZKPGQWNAUPJ-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042287828 678324509 /nfs/dbraw/zinc/32/45/09/678324509.db2.gz NXOZTBCSCAWYQF-QWRGUYRKSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042287828 678324510 /nfs/dbraw/zinc/32/45/10/678324510.db2.gz NXOZTBCSCAWYQF-QWRGUYRKSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042287826 678324622 /nfs/dbraw/zinc/32/46/22/678324622.db2.gz NXOZTBCSCAWYQF-GHMZBOCLSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042287826 678324628 /nfs/dbraw/zinc/32/46/28/678324628.db2.gz NXOZTBCSCAWYQF-GHMZBOCLSA-N 1 1 307.358 -1.529 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042294561 678324685 /nfs/dbraw/zinc/32/46/85/678324685.db2.gz GGCNPNYUAMAARE-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042294561 678324691 /nfs/dbraw/zinc/32/46/91/678324691.db2.gz GGCNPNYUAMAARE-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001042296235 678324911 /nfs/dbraw/zinc/32/49/11/678324911.db2.gz YNHNHSRZRZUUIA-JTQLQIEISA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001042296235 678324914 /nfs/dbraw/zinc/32/49/14/678324914.db2.gz YNHNHSRZRZUUIA-JTQLQIEISA-N 1 1 323.353 -1.957 20 0 DAADMO C/C=C(\C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042300619 678324982 /nfs/dbraw/zinc/32/49/82/678324982.db2.gz XAWHJFPBNSTLNW-KBVBDRTLSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(\C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042300619 678324983 /nfs/dbraw/zinc/32/49/83/678324983.db2.gz XAWHJFPBNSTLNW-KBVBDRTLSA-N 1 1 311.382 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)/C=C/C3CC3)C2)C1 ZINC001042300608 678325308 /nfs/dbraw/zinc/32/53/08/678325308.db2.gz WRWJMHWYFKPBSM-MUBLQREKSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)/C=C/C3CC3)C2)C1 ZINC001042300608 678325312 /nfs/dbraw/zinc/32/53/12/678325312.db2.gz WRWJMHWYFKPBSM-MUBLQREKSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccco3)C2)C1 ZINC001042296056 678325341 /nfs/dbraw/zinc/32/53/41/678325341.db2.gz WXABPHLBTOBUNR-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccco3)C2)C1 ZINC001042296056 678325346 /nfs/dbraw/zinc/32/53/46/678325346.db2.gz WXABPHLBTOBUNR-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001042296190 678325358 /nfs/dbraw/zinc/32/53/58/678325358.db2.gz XUFKNCMZMNBQBO-QMMMGPOBSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001042296190 678325362 /nfs/dbraw/zinc/32/53/62/678325362.db2.gz XUFKNCMZMNBQBO-QMMMGPOBSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001042296054 678325458 /nfs/dbraw/zinc/32/54/58/678325458.db2.gz WWBXZJOLIZLTQP-QMMMGPOBSA-N 1 1 307.297 -1.728 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001042296054 678325461 /nfs/dbraw/zinc/32/54/61/678325461.db2.gz WWBXZJOLIZLTQP-QMMMGPOBSA-N 1 1 307.297 -1.728 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001042300275 678325493 /nfs/dbraw/zinc/32/54/93/678325493.db2.gz RIHQSCRIOBVWGJ-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001042300275 678325495 /nfs/dbraw/zinc/32/54/95/678325495.db2.gz RIHQSCRIOBVWGJ-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042302249 678325518 /nfs/dbraw/zinc/32/55/18/678325518.db2.gz RLFGRQJWXOCOJO-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)/C=C\C3CC3)C2)C1 ZINC001042312148 678326002 /nfs/dbraw/zinc/32/60/02/678326002.db2.gz JVLBMVWLIVQGLZ-DSYXLKISSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)/C=C\C3CC3)C2)C1 ZINC001042312148 678326005 /nfs/dbraw/zinc/32/60/05/678326005.db2.gz JVLBMVWLIVQGLZ-DSYXLKISSA-N 1 1 323.393 -1.027 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 ZINC001042341266 678326014 /nfs/dbraw/zinc/32/60/14/678326014.db2.gz LOJWBHHLRSRRDU-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cncn3)C[C@H]21 ZINC001042341264 678326148 /nfs/dbraw/zinc/32/61/48/678326148.db2.gz LOJWBHHLRSRRDU-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042344769 678326869 /nfs/dbraw/zinc/32/68/69/678326869.db2.gz AQNTXYXBUIZBDI-MNOVXSKESA-N 1 1 310.354 -1.547 20 0 DAADMO C/C=C(\C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042430463 678328353 /nfs/dbraw/zinc/32/83/53/678328353.db2.gz ASBVLENZRKLGTQ-KBVBDRTLSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(\C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042430463 678328357 /nfs/dbraw/zinc/32/83/57/678328357.db2.gz ASBVLENZRKLGTQ-KBVBDRTLSA-N 1 1 311.382 -1.027 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042569411 678332738 /nfs/dbraw/zinc/33/27/38/678332738.db2.gz CIMXXFMRZBYSQY-AAEUAGOBSA-N 1 1 312.414 -1.064 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042569411 678332740 /nfs/dbraw/zinc/33/27/40/678332740.db2.gz CIMXXFMRZBYSQY-AAEUAGOBSA-N 1 1 312.414 -1.064 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC2CC2)C1 ZINC001042573692 678332778 /nfs/dbraw/zinc/33/27/78/678332778.db2.gz QWWFMXSLOONDTM-CYBMUJFWSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC2CC2)C1 ZINC001042573692 678332779 /nfs/dbraw/zinc/33/27/79/678332779.db2.gz QWWFMXSLOONDTM-CYBMUJFWSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCCNC2=O)C1 ZINC001042573549 678332801 /nfs/dbraw/zinc/33/28/01/678332801.db2.gz MCPCARVTJRJVGI-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCCNC2=O)C1 ZINC001042573549 678332802 /nfs/dbraw/zinc/33/28/02/678332802.db2.gz MCPCARVTJRJVGI-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 ZINC001042707619 678339497 /nfs/dbraw/zinc/33/94/97/678339497.db2.gz XAXVXIJWGXFCPC-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 ZINC001042727076 678341467 /nfs/dbraw/zinc/34/14/67/678341467.db2.gz CAAOVLLQTNEBRZ-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001042738380 678342525 /nfs/dbraw/zinc/34/25/25/678342525.db2.gz UPKDLGNAJGNFBM-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001042748416 678342906 /nfs/dbraw/zinc/34/29/06/678342906.db2.gz DYAHCIJHQNTTTQ-VIFPVBQESA-N 1 1 310.358 -1.446 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756367 678343575 /nfs/dbraw/zinc/34/35/75/678343575.db2.gz OUTFCWVFDLYWEX-YPMHNXCESA-N 1 1 310.398 -1.262 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001042749453 678343647 /nfs/dbraw/zinc/34/36/47/678343647.db2.gz DEBIRUPSPNCOFQ-SECBINFHSA-N 1 1 310.358 -1.446 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756365 678343721 /nfs/dbraw/zinc/34/37/21/678343721.db2.gz OUTFCWVFDLYWEX-WCQYABFASA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001042826238 678347126 /nfs/dbraw/zinc/34/71/26/678347126.db2.gz GSVNQKUJKPDALB-NSHDSACASA-N 1 1 313.398 -1.069 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CC(C)(C)O)C2)C1 ZINC001042832997 678347147 /nfs/dbraw/zinc/34/71/47/678347147.db2.gz YAXHVMREIHOVOF-LLVKDONJSA-N 1 1 313.398 -1.211 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001042826237 678347152 /nfs/dbraw/zinc/34/71/52/678347152.db2.gz GSVNQKUJKPDALB-LLVKDONJSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042845975 678348159 /nfs/dbraw/zinc/34/81/59/678348159.db2.gz FZSIJSWYWJPICK-JTQLQIEISA-N 1 1 310.354 -1.930 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001042889922 678352627 /nfs/dbraw/zinc/35/26/27/678352627.db2.gz TTXUKFGSRGMCTC-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042888780 678352655 /nfs/dbraw/zinc/35/26/55/678352655.db2.gz HUVVSANNHKMMNU-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042896311 678354185 /nfs/dbraw/zinc/35/41/85/678354185.db2.gz RQOURUFYYKMEDM-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042931513 678355407 /nfs/dbraw/zinc/35/54/07/678355407.db2.gz QSCOMNUSPLHKFK-SNVBAGLBSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042931513 678355412 /nfs/dbraw/zinc/35/54/12/678355412.db2.gz QSCOMNUSPLHKFK-SNVBAGLBSA-N 1 1 323.353 -1.957 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042935038 678355883 /nfs/dbraw/zinc/35/58/83/678355883.db2.gz LQLIZUMPDSAALI-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042934653 678356223 /nfs/dbraw/zinc/35/62/23/678356223.db2.gz DLFCQSXDDQEYJQ-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042941354 678356457 /nfs/dbraw/zinc/35/64/57/678356457.db2.gz XKYVREUQLKCHJW-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059008 678363514 /nfs/dbraw/zinc/36/35/14/678363514.db2.gz CBFKMPKQDFIVOZ-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043113266 678365078 /nfs/dbraw/zinc/36/50/78/678365078.db2.gz JMKMLKFUYSCYGT-LLVKDONJSA-N 1 1 312.370 -2.236 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043114755 678365147 /nfs/dbraw/zinc/36/51/47/678365147.db2.gz ARVHYKZYVHALTG-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114755 678365152 /nfs/dbraw/zinc/36/51/52/678365152.db2.gz ARVHYKZYVHALTG-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001043114266 678365204 /nfs/dbraw/zinc/36/52/04/678365204.db2.gz VGFAQPVHQHAAJJ-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001043113892 678365320 /nfs/dbraw/zinc/36/53/20/678365320.db2.gz QOCQGMNPFBRIAR-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001043113892 678365321 /nfs/dbraw/zinc/36/53/21/678365321.db2.gz QOCQGMNPFBRIAR-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001043113892 678365323 /nfs/dbraw/zinc/36/53/23/678365323.db2.gz QOCQGMNPFBRIAR-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114255 678365352 /nfs/dbraw/zinc/36/53/52/678365352.db2.gz VCEVCCISIKECGL-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001043114766 678365432 /nfs/dbraw/zinc/36/54/32/678365432.db2.gz AZJNTMLEYYNEBX-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001043117169 678365897 /nfs/dbraw/zinc/36/58/97/678365897.db2.gz UKQQIETUFNIXGU-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001043117169 678365901 /nfs/dbraw/zinc/36/59/01/678365901.db2.gz UKQQIETUFNIXGU-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001043117169 678365905 /nfs/dbraw/zinc/36/59/05/678365905.db2.gz UKQQIETUFNIXGU-SNVBAGLBSA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CC(C)(C)O)C2)C1 ZINC001043117043 678365910 /nfs/dbraw/zinc/36/59/10/678365910.db2.gz RXDSHDXHJMGDLF-LLVKDONJSA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nonc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118765 678365955 /nfs/dbraw/zinc/36/59/55/678365955.db2.gz KBRTWMAKUYFAFW-JTQLQIEISA-N 1 1 323.353 -1.367 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043117567 678366014 /nfs/dbraw/zinc/36/60/14/678366014.db2.gz VLIADKUHEMDWRV-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043115001 678366027 /nfs/dbraw/zinc/36/60/27/678366027.db2.gz CWRVOZYHNRWFOL-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118020 678366063 /nfs/dbraw/zinc/36/60/63/678366063.db2.gz DDNZEJZYBBQRMC-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116078 678366078 /nfs/dbraw/zinc/36/60/78/678366078.db2.gz LVUICTLWNGJVOO-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3)C2)C1 ZINC001043118584 678366145 /nfs/dbraw/zinc/36/61/45/678366145.db2.gz HTVFOQBUFBUWGP-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3)C2)C1 ZINC001043118584 678366149 /nfs/dbraw/zinc/36/61/49/678366149.db2.gz HTVFOQBUFBUWGP-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001043117601 678366212 /nfs/dbraw/zinc/36/62/12/678366212.db2.gz VXUREXBUJYNEPW-MXWKQRLJSA-N 1 1 324.381 -2.251 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccncn3)C2)C1 ZINC001043115279 678366274 /nfs/dbraw/zinc/36/62/74/678366274.db2.gz GHZYNWKWHLRGCW-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cncnc3)C2)C1 ZINC001043117144 678366284 /nfs/dbraw/zinc/36/62/84/678366284.db2.gz UCIFJPWDLHEPKE-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO Cc1nonc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118766 678366296 /nfs/dbraw/zinc/36/62/96/678366296.db2.gz KBRTWMAKUYFAFW-SNVBAGLBSA-N 1 1 323.353 -1.367 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CC(C)(C)O)C2)C1 ZINC001043117045 678366307 /nfs/dbraw/zinc/36/63/07/678366307.db2.gz RXDSHDXHJMGDLF-NSHDSACASA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043121399 678366421 /nfs/dbraw/zinc/36/64/21/678366421.db2.gz YESZHRLYMSPJCO-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043119060 678366675 /nfs/dbraw/zinc/36/66/75/678366675.db2.gz TUNIOULOUAQXPI-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CN3CCCC3)C2)C1 ZINC001043126767 678367512 /nfs/dbraw/zinc/36/75/12/678367512.db2.gz CXBVTMHLWNIOAX-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CN3CCCC3)C2)C1 ZINC001043126767 678367514 /nfs/dbraw/zinc/36/75/14/678367514.db2.gz CXBVTMHLWNIOAX-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 ZINC001043127265 678367581 /nfs/dbraw/zinc/36/75/81/678367581.db2.gz IBXJIKALWOHSRD-GFCCVEGCSA-N 1 1 322.365 -1.082 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043129872 678367934 /nfs/dbraw/zinc/36/79/34/678367934.db2.gz GRSFANZECHPBRV-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043211160 678371465 /nfs/dbraw/zinc/37/14/65/678371465.db2.gz VIOGNBFDURTGFV-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043212306 678372445 /nfs/dbraw/zinc/37/24/45/678372445.db2.gz REEKKBVWYGKCHM-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)C1 ZINC001043287085 678374648 /nfs/dbraw/zinc/37/46/48/678374648.db2.gz SWZZEYBERZOEOG-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)C1 ZINC001043287085 678374652 /nfs/dbraw/zinc/37/46/52/678374652.db2.gz SWZZEYBERZOEOG-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 ZINC001043358782 678376322 /nfs/dbraw/zinc/37/63/22/678376322.db2.gz AMRVVFBQEJGCKR-LLVKDONJSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001043371305 678376755 /nfs/dbraw/zinc/37/67/55/678376755.db2.gz VSEQBHXRQOMQNB-MKBNYLNASA-N 1 1 323.393 -1.336 20 0 DAADMO C[C@H](C(N)=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392026 678377233 /nfs/dbraw/zinc/37/72/33/678377233.db2.gz OMBHWHSPRADCBS-YPPMETMDSA-N 1 1 322.409 -1.134 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043427347 678379614 /nfs/dbraw/zinc/37/96/14/678379614.db2.gz HEBIQRQIIKQEPH-UHFFFAOYSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043431793 678379673 /nfs/dbraw/zinc/37/96/73/678379673.db2.gz SVRSSFADZXYNAR-UHFFFAOYSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043430379 678379910 /nfs/dbraw/zinc/37/99/10/678379910.db2.gz KFHRGLOJNWTBTH-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001043428696 678379940 /nfs/dbraw/zinc/37/99/40/678379940.db2.gz SMKBUDWVBGOSSM-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043428272 678379969 /nfs/dbraw/zinc/37/99/69/678379969.db2.gz MIRKJYIMWRIKND-UHFFFAOYSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043530639 678384310 /nfs/dbraw/zinc/38/43/10/678384310.db2.gz RMKPEPRGSAODPV-QWHCGFSZSA-N 1 1 321.381 -1.477 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678266 678388932 /nfs/dbraw/zinc/38/89/32/678388932.db2.gz DRGDIIWOXRYAMB-MNOVXSKESA-N 1 1 324.381 -1.822 20 0 DAADMO Cn1cncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043752686 678393378 /nfs/dbraw/zinc/39/33/78/678393378.db2.gz NQWLBQMFCLZMBB-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043752684 678393595 /nfs/dbraw/zinc/39/35/95/678393595.db2.gz NQWLBQMFCLZMBB-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043770729 678393927 /nfs/dbraw/zinc/39/39/27/678393927.db2.gz OHNPPDMGRDYDMW-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043806733 678395702 /nfs/dbraw/zinc/39/57/02/678395702.db2.gz KEEDQBFYHOEHIH-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC1 ZINC001043808464 678396463 /nfs/dbraw/zinc/39/64/63/678396463.db2.gz QQFCYMZJUJHLTE-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813880 678398503 /nfs/dbraw/zinc/39/85/03/678398503.db2.gz TXOJLWVPDVALSY-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813880 678398506 /nfs/dbraw/zinc/39/85/06/678398506.db2.gz TXOJLWVPDVALSY-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813880 678398509 /nfs/dbraw/zinc/39/85/09/678398509.db2.gz TXOJLWVPDVALSY-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1)C1CCC1 ZINC001043815619 678399406 /nfs/dbraw/zinc/39/94/06/678399406.db2.gz KCVNHLJQPWDLTE-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)C1CCC1 ZINC001043815619 678399409 /nfs/dbraw/zinc/39/94/09/678399409.db2.gz KCVNHLJQPWDLTE-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)C1CCC1 ZINC001043815619 678399412 /nfs/dbraw/zinc/39/94/12/678399412.db2.gz KCVNHLJQPWDLTE-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043850097 678401411 /nfs/dbraw/zinc/40/14/11/678401411.db2.gz KFVZYJMNWQIZPI-MNOVXSKESA-N 1 1 318.341 -1.554 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001043885836 678403833 /nfs/dbraw/zinc/40/38/33/678403833.db2.gz JQMTYMTYPPBXCU-JQWIXIFHSA-N 1 1 322.413 -1.051 20 0 DAADMO Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001043900096 678404682 /nfs/dbraw/zinc/40/46/82/678404682.db2.gz YKULEUBNZNOZMG-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001043900096 678404686 /nfs/dbraw/zinc/40/46/86/678404686.db2.gz YKULEUBNZNOZMG-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001043911547 678405336 /nfs/dbraw/zinc/40/53/36/678405336.db2.gz DTRHZIUURSYUSS-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001043911547 678405341 /nfs/dbraw/zinc/40/53/41/678405341.db2.gz DTRHZIUURSYUSS-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO CN(C(=O)Cn1ncn2nccc2c1=O)C1C[NH+](CCCO)C1 ZINC001043998377 678408683 /nfs/dbraw/zinc/40/86/83/678408683.db2.gz QTQSZSPRCFIZQX-UHFFFAOYSA-N 1 1 320.353 -1.584 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001044007401 678409306 /nfs/dbraw/zinc/40/93/06/678409306.db2.gz NXJUMKBGMYSWKM-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001044011865 678409517 /nfs/dbraw/zinc/40/95/17/678409517.db2.gz WXAKFKQQHSVPOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001044039412 678410283 /nfs/dbraw/zinc/41/02/83/678410283.db2.gz JRWQWDOAJDMYSM-JUXJKVCFSA-N 1 1 310.354 -1.502 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044126478 678413229 /nfs/dbraw/zinc/41/32/29/678413229.db2.gz AFURFGJYAAUDTK-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001044290901 678418639 /nfs/dbraw/zinc/41/86/39/678418639.db2.gz WVMPGXPWSVDRCB-NSHDSACASA-N 1 1 323.397 -1.368 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001044292024 678418681 /nfs/dbraw/zinc/41/86/81/678418681.db2.gz HXQRGJDZZWJXMN-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001044302040 678419152 /nfs/dbraw/zinc/41/91/52/678419152.db2.gz FDLZPOKLYPQOIW-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001044298307 678419219 /nfs/dbraw/zinc/41/92/19/678419219.db2.gz JDEVZDXFTQAKRJ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001044299335 678419562 /nfs/dbraw/zinc/41/95/62/678419562.db2.gz BFGLAQNLAVEUAT-UHFFFAOYSA-N 1 1 319.369 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)C1 ZINC001044320889 678419816 /nfs/dbraw/zinc/41/98/16/678419816.db2.gz QICXJZWXJZMATQ-CYBMUJFWSA-N 1 1 312.414 -1.062 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(CC(=O)N(C)C)C2)C1 ZINC001044320889 678419819 /nfs/dbraw/zinc/41/98/19/678419819.db2.gz QICXJZWXJZMATQ-CYBMUJFWSA-N 1 1 312.414 -1.062 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)C1 ZINC001044322731 678420075 /nfs/dbraw/zinc/42/00/75/678420075.db2.gz POXRYDOSFKEQQJ-LBPRGKRZSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)C1 ZINC001044322731 678420080 /nfs/dbraw/zinc/42/00/80/678420080.db2.gz POXRYDOSFKEQQJ-LBPRGKRZSA-N 1 1 323.401 -1.427 20 0 DAADMO Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044350305 678421068 /nfs/dbraw/zinc/42/10/68/678421068.db2.gz GSQFBCHDJTZUDL-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001044366991 678421915 /nfs/dbraw/zinc/42/19/15/678421915.db2.gz QGMLKLIBUYPRIM-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001044367179 678422034 /nfs/dbraw/zinc/42/20/34/678422034.db2.gz VETTZYDUQNKFOX-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044370676 678422288 /nfs/dbraw/zinc/42/22/88/678422288.db2.gz MKEPHRHZWXRYEG-JTQLQIEISA-N 1 1 322.369 -1.632 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1nccn1 ZINC001044614741 678430837 /nfs/dbraw/zinc/43/08/37/678430837.db2.gz GHOMGGIRLJTKNE-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC001044605876 678431053 /nfs/dbraw/zinc/43/10/53/678431053.db2.gz UYIXIZRLIXRZTJ-NXEZZACHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC001044605882 678431076 /nfs/dbraw/zinc/43/10/76/678431076.db2.gz UYIXIZRLIXRZTJ-ZJUUUORDSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC001044605879 678431136 /nfs/dbraw/zinc/43/11/36/678431136.db2.gz UYIXIZRLIXRZTJ-UWVGGRQHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC001044700563 678431879 /nfs/dbraw/zinc/43/18/79/678431879.db2.gz ARWMNJXVHOGJKC-BDAKNGLRSA-N 1 1 320.361 -1.484 20 0 DAADMO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776996 678435730 /nfs/dbraw/zinc/43/57/30/678435730.db2.gz RFYUMCPSHGOYLZ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776996 678435733 /nfs/dbraw/zinc/43/57/33/678435733.db2.gz RFYUMCPSHGOYLZ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001044776614 678435794 /nfs/dbraw/zinc/43/57/94/678435794.db2.gz NWYWOPZYNNEKSD-VIFPVBQESA-N 1 1 310.358 -1.552 20 0 DAADMO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001044776614 678435796 /nfs/dbraw/zinc/43/57/96/678435796.db2.gz NWYWOPZYNNEKSD-VIFPVBQESA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044775898 678435899 /nfs/dbraw/zinc/43/58/99/678435899.db2.gz GGRYVFLRCANLRS-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044775898 678435900 /nfs/dbraw/zinc/43/59/00/678435900.db2.gz GGRYVFLRCANLRS-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044775898 678435902 /nfs/dbraw/zinc/43/59/02/678435902.db2.gz GGRYVFLRCANLRS-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044775898 678435903 /nfs/dbraw/zinc/43/59/03/678435903.db2.gz GGRYVFLRCANLRS-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044775898 678435905 /nfs/dbraw/zinc/43/59/05/678435905.db2.gz GGRYVFLRCANLRS-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1ncn[nH]1 ZINC001044777000 678436095 /nfs/dbraw/zinc/43/60/95/678436095.db2.gz RHYPZHCNQRUTTP-UHFFFAOYSA-N 1 1 320.353 -1.796 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1nc[nH]n1 ZINC001044777000 678436099 /nfs/dbraw/zinc/43/60/99/678436099.db2.gz RHYPZHCNQRUTTP-UHFFFAOYSA-N 1 1 320.353 -1.796 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044781653 678436989 /nfs/dbraw/zinc/43/69/89/678436989.db2.gz DWKFSLFEEQXDLQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044781653 678436992 /nfs/dbraw/zinc/43/69/92/678436992.db2.gz DWKFSLFEEQXDLQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044781653 678436995 /nfs/dbraw/zinc/43/69/95/678436995.db2.gz DWKFSLFEEQXDLQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044781653 678436997 /nfs/dbraw/zinc/43/69/97/678436997.db2.gz DWKFSLFEEQXDLQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044781653 678436999 /nfs/dbraw/zinc/43/69/99/678436999.db2.gz DWKFSLFEEQXDLQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cncn1 ZINC001044845519 678438612 /nfs/dbraw/zinc/43/86/12/678438612.db2.gz DEQBEOJCFRNAPT-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cncn1 ZINC001044845522 678438672 /nfs/dbraw/zinc/43/86/72/678438672.db2.gz DEQBEOJCFRNAPT-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cncn1 ZINC001044845520 678438946 /nfs/dbraw/zinc/43/89/46/678438946.db2.gz DEQBEOJCFRNAPT-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001044890429 678439773 /nfs/dbraw/zinc/43/97/73/678439773.db2.gz QAKZKJSXCUCWHD-SDDRHHMPSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001044890429 678439775 /nfs/dbraw/zinc/43/97/75/678439775.db2.gz QAKZKJSXCUCWHD-SDDRHHMPSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001044916083 678439824 /nfs/dbraw/zinc/43/98/24/678439824.db2.gz XIQXDKXYTABZMN-NSHDSACASA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCCN1C ZINC001045002468 678443280 /nfs/dbraw/zinc/44/32/80/678443280.db2.gz NZLSOASESUGNCO-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(=O)n(C)o1 ZINC001045013380 678443760 /nfs/dbraw/zinc/44/37/60/678443760.db2.gz KMUCKKSIJURHRT-VIFPVBQESA-N 1 1 321.341 -1.104 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001045040914 678444849 /nfs/dbraw/zinc/44/48/49/678444849.db2.gz ZCLZYZPZVBWAKB-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001045082029 678445233 /nfs/dbraw/zinc/44/52/33/678445233.db2.gz LPBNAAVUOYFVNN-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001045065569 678445449 /nfs/dbraw/zinc/44/54/49/678445449.db2.gz ZUYVMZKDOVBWOL-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cnoc3)C2)C1 ZINC001045113812 678446321 /nfs/dbraw/zinc/44/63/21/678446321.db2.gz KBIDXVXJRHARNY-LBPRGKRZSA-N 1 1 322.365 -1.142 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CC[N@H+]1C ZINC001045148807 678447177 /nfs/dbraw/zinc/44/71/77/678447177.db2.gz XQUAPUILOCXIJJ-UWVGGRQHSA-N 1 1 312.370 -2.109 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)C1=O ZINC001045162789 678447581 /nfs/dbraw/zinc/44/75/81/678447581.db2.gz RXCITZUTPDYOPS-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nnn(C)n2)n1 ZINC001045157418 678447759 /nfs/dbraw/zinc/44/77/59/678447759.db2.gz RVLUFAONLOVWDA-JTQLQIEISA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001045175387 678448432 /nfs/dbraw/zinc/44/84/32/678448432.db2.gz FABISCBHDVVODI-VHSXEESVSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001045175845 678448440 /nfs/dbraw/zinc/44/84/40/678448440.db2.gz OAJFLEXRVWUTQZ-WDEREUQCSA-N 1 1 307.358 -1.423 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001045178861 678448867 /nfs/dbraw/zinc/44/88/67/678448867.db2.gz QVEINMMGTRMYNS-VIFPVBQESA-N 1 1 309.374 -1.006 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045187789 678449459 /nfs/dbraw/zinc/44/94/59/678449459.db2.gz HEFLZGGRNMNWMA-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192983 678449842 /nfs/dbraw/zinc/44/98/42/678449842.db2.gz MALNULVCDJMUIF-NXEZZACHSA-N 1 1 323.353 -1.430 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045193294 678450220 /nfs/dbraw/zinc/45/02/20/678450220.db2.gz YOHCAZSOJRLRPE-UHFFFAOYSA-N 1 1 311.342 -1.287 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045228121 678451250 /nfs/dbraw/zinc/45/12/50/678451250.db2.gz AQRWKLHCEOPGQK-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001045300483 678454871 /nfs/dbraw/zinc/45/48/71/678454871.db2.gz PXGITMVTRYQFPY-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045490937 678459445 /nfs/dbraw/zinc/45/94/45/678459445.db2.gz WCPDEBRRCMKSOX-SNVBAGLBSA-N 1 1 324.381 -1.964 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)CC(C)(C)C ZINC001045514234 678463597 /nfs/dbraw/zinc/46/35/97/678463597.db2.gz XVQDZFMGAUEZOE-UHFFFAOYSA-N 1 1 314.386 -1.861 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001045517975 678463998 /nfs/dbraw/zinc/46/39/98/678463998.db2.gz LYLPHSNJNPCDRQ-QWRGUYRKSA-N 1 1 324.381 -1.822 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001045517973 678464232 /nfs/dbraw/zinc/46/42/32/678464232.db2.gz LYLPHSNJNPCDRQ-GHMZBOCLSA-N 1 1 324.381 -1.822 20 0 DAADMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001045542665 678465635 /nfs/dbraw/zinc/46/56/35/678465635.db2.gz RMSBICACYUEIIC-NSHDSACASA-N 1 1 321.385 -1.033 20 0 DAADMO CC1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[NH+](CC(N)=O)CC1 ZINC001045642379 678468403 /nfs/dbraw/zinc/46/84/03/678468403.db2.gz BJCZCYVMSWDFTC-VIFPVBQESA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001045837894 678471370 /nfs/dbraw/zinc/47/13/70/678471370.db2.gz AEZKRANLKSWSOT-UTLUCORTSA-N 1 1 308.338 -1.658 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1=O ZINC001045877604 678471586 /nfs/dbraw/zinc/47/15/86/678471586.db2.gz MUUHFNIZFMYPTC-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045874914 678471600 /nfs/dbraw/zinc/47/16/00/678471600.db2.gz BXQNBLVJXTZTBA-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC001045839720 678471634 /nfs/dbraw/zinc/47/16/34/678471634.db2.gz YSALAHGAWDQRHV-FRRDWIJNSA-N 1 1 321.381 -1.205 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045887422 678471711 /nfs/dbraw/zinc/47/17/11/678471711.db2.gz BWKPDHFQOQQOPJ-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001045838122 678471724 /nfs/dbraw/zinc/47/17/24/678471724.db2.gz JQMQMMINKYJQNT-MNOVXSKESA-N 1 1 309.370 -1.438 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046001852 678472153 /nfs/dbraw/zinc/47/21/53/678472153.db2.gz PMSKHQCFZJDGEV-LBPRGKRZSA-N 1 1 311.365 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC001045999144 678472191 /nfs/dbraw/zinc/47/21/91/678472191.db2.gz LEMHEEGJORKPDI-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC001045999144 678472194 /nfs/dbraw/zinc/47/21/94/678472194.db2.gz LEMHEEGJORKPDI-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ncnn1)C2 ZINC001045939442 678472314 /nfs/dbraw/zinc/47/23/14/678472314.db2.gz BDUZONGNXGONSI-AWEZNQCLSA-N 1 1 321.385 -1.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045988851 678472320 /nfs/dbraw/zinc/47/23/20/678472320.db2.gz XHBXLZAPTNGLOQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)COC)CC2)C1 ZINC001045988853 678472335 /nfs/dbraw/zinc/47/23/35/678472335.db2.gz XHBXLZAPTNGLOQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnsn3)CC2)C1 ZINC001046008318 678472344 /nfs/dbraw/zinc/47/23/44/678472344.db2.gz RMVZOIRWQWFBNJ-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnsn3)CC2)C1 ZINC001046008318 678472345 /nfs/dbraw/zinc/47/23/45/678472345.db2.gz RMVZOIRWQWFBNJ-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046001145 678472351 /nfs/dbraw/zinc/47/23/51/678472351.db2.gz GUCOSEYTPPZXFH-STQMWFEESA-N 1 1 323.401 -1.728 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001045989880 678472385 /nfs/dbraw/zinc/47/23/85/678472385.db2.gz PBVAPGACEJPSIB-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CCn1cncn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046002146 678472397 /nfs/dbraw/zinc/47/23/97/678472397.db2.gz JUKNDXCRILDTSE-AWEZNQCLSA-N 1 1 322.413 -1.121 20 0 DAADMO CC(=O)N1CCN([C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001045993578 678472405 /nfs/dbraw/zinc/47/24/05/678472405.db2.gz XKKLQCADHZTXDS-ZDUSSCGKSA-N 1 1 323.397 -1.223 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046002585 678472424 /nfs/dbraw/zinc/47/24/24/678472424.db2.gz ZDDGIHSEJOUDQJ-CYBMUJFWSA-N 1 1 323.401 -1.726 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046012274 678473103 /nfs/dbraw/zinc/47/31/03/678473103.db2.gz MUTMMMPHSSXMEO-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)CC(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046017975 678473115 /nfs/dbraw/zinc/47/31/15/678473115.db2.gz SLKAHUVYIOHARX-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO O=C(CCn1ccnn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024457 678473174 /nfs/dbraw/zinc/47/31/74/678473174.db2.gz LGWBEBJZGYQDOE-AWEZNQCLSA-N 1 1 322.413 -1.121 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017637 678473177 /nfs/dbraw/zinc/47/31/77/678473177.db2.gz PVKJWOSLTHTTCR-QWRGUYRKSA-N 1 1 311.386 -2.046 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046016746 678473190 /nfs/dbraw/zinc/47/31/90/678473190.db2.gz JJJFMJRWUOUDOO-ZDUSSCGKSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046016746 678473194 /nfs/dbraw/zinc/47/31/94/678473194.db2.gz JJJFMJRWUOUDOO-ZDUSSCGKSA-N 1 1 320.397 -1.344 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008454 678473209 /nfs/dbraw/zinc/47/32/09/678473209.db2.gz VJCDZCWACPXNIR-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 ZINC001046017095 678473425 /nfs/dbraw/zinc/47/34/25/678473425.db2.gz LUGCAZGOOVOMAR-ZDUSSCGKSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 ZINC001046017095 678473429 /nfs/dbraw/zinc/47/34/29/678473429.db2.gz LUGCAZGOOVOMAR-ZDUSSCGKSA-N 1 1 321.381 -1.079 20 0 DAADMO Cc1c(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)nnn1C ZINC001046015234 678473469 /nfs/dbraw/zinc/47/34/69/678473469.db2.gz MQRVPKIMYYNTLN-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)nn1 ZINC001046028939 678473675 /nfs/dbraw/zinc/47/36/75/678473675.db2.gz JNUHPWXASGPTNN-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)nn1 ZINC001046028939 678473677 /nfs/dbraw/zinc/47/36/77/678473677.db2.gz JNUHPWXASGPTNN-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046026280 678473690 /nfs/dbraw/zinc/47/36/90/678473690.db2.gz RPMZJJZGQHMWKN-LBPRGKRZSA-N 1 1 308.386 -1.361 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046024864 678473840 /nfs/dbraw/zinc/47/38/40/678473840.db2.gz CHRFXSPDUZUXOA-GFCCVEGCSA-N 1 1 308.386 -1.361 20 0 DAADMO Cc1nnc(CC(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)[nH]1 ZINC001046026913 678473913 /nfs/dbraw/zinc/47/39/13/678473913.db2.gz HEHTUDHHPNRGBH-CYBMUJFWSA-N 1 1 322.413 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030336 678474004 /nfs/dbraw/zinc/47/40/04/678474004.db2.gz OUCWWUWQKQSCLR-CYBMUJFWSA-N 1 1 323.401 -1.462 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046029597 678474071 /nfs/dbraw/zinc/47/40/71/678474071.db2.gz WWQFLJVBPZNVRJ-TZMCWYRMSA-N 1 1 312.414 -1.293 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046029597 678474073 /nfs/dbraw/zinc/47/40/73/678474073.db2.gz WWQFLJVBPZNVRJ-TZMCWYRMSA-N 1 1 312.414 -1.293 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046026279 678474106 /nfs/dbraw/zinc/47/41/06/678474106.db2.gz RPMZJJZGQHMWKN-GFCCVEGCSA-N 1 1 308.386 -1.361 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037040 678474126 /nfs/dbraw/zinc/47/41/26/678474126.db2.gz JTWHWNPWVKQQFB-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046029596 678474271 /nfs/dbraw/zinc/47/42/71/678474271.db2.gz WWQFLJVBPZNVRJ-GXTWGEPZSA-N 1 1 312.414 -1.293 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046029596 678474274 /nfs/dbraw/zinc/47/42/74/678474274.db2.gz WWQFLJVBPZNVRJ-GXTWGEPZSA-N 1 1 312.414 -1.293 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046030502 678474297 /nfs/dbraw/zinc/47/42/97/678474297.db2.gz SSRLPXZKWLVYLA-CYBMUJFWSA-N 1 1 323.401 -1.726 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046049457 678474489 /nfs/dbraw/zinc/47/44/89/678474489.db2.gz PDRVIWMLLVYNNT-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046037222 678474495 /nfs/dbraw/zinc/47/44/95/678474495.db2.gz MNWRDZBDRRGJNV-GFCCVEGCSA-N 1 1 312.414 -1.291 20 0 DAADMO Cn1c(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)c[nH]c1=O ZINC001046051401 678474501 /nfs/dbraw/zinc/47/45/01/678474501.db2.gz GCXSBYOOZFKULK-GFCCVEGCSA-N 1 1 323.397 -1.050 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnco3)CC2)C1 ZINC001046048856 678474757 /nfs/dbraw/zinc/47/47/57/678474757.db2.gz FRSKEBPRQHINKI-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnco3)CC2)C1 ZINC001046048856 678474761 /nfs/dbraw/zinc/47/47/61/678474761.db2.gz FRSKEBPRQHINKI-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042802 678474909 /nfs/dbraw/zinc/47/49/09/678474909.db2.gz MZXIJDIHUZAERJ-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046050809 678475040 /nfs/dbraw/zinc/47/50/40/678475040.db2.gz QGABOKPDJWWFEW-NSHDSACASA-N 1 1 321.385 -1.569 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046050809 678475043 /nfs/dbraw/zinc/47/50/43/678475043.db2.gz QGABOKPDJWWFEW-NSHDSACASA-N 1 1 321.385 -1.569 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046054178 678475109 /nfs/dbraw/zinc/47/51/09/678475109.db2.gz JKKADMVWRBLOLY-CXTNEJHOSA-N 1 1 322.409 -1.417 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046054178 678475111 /nfs/dbraw/zinc/47/51/11/678475111.db2.gz JKKADMVWRBLOLY-CXTNEJHOSA-N 1 1 322.409 -1.417 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046054005 678475117 /nfs/dbraw/zinc/47/51/17/678475117.db2.gz ILXDFODFXDGLKM-RYUDHWBXSA-N 1 1 323.401 -1.577 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1=O ZINC001046055371 678475607 /nfs/dbraw/zinc/47/56/07/678475607.db2.gz PCHULMLBGRNGJL-ZIAGYGMSSA-N 1 1 324.425 -1.325 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046056628 678475768 /nfs/dbraw/zinc/47/57/68/678475768.db2.gz GXKANOGKTDCMRF-QWRGUYRKSA-N 1 1 309.370 -2.421 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046056255 678475801 /nfs/dbraw/zinc/47/58/01/678475801.db2.gz CSCJDMJZYRNQQX-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058510 678476194 /nfs/dbraw/zinc/47/61/94/678476194.db2.gz MNFANZDBJDMCNB-WDEREUQCSA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058510 678476197 /nfs/dbraw/zinc/47/61/97/678476197.db2.gz MNFANZDBJDMCNB-WDEREUQCSA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063500 678476340 /nfs/dbraw/zinc/47/63/40/678476340.db2.gz PNVTYTIZLVTXAG-UTUOFQBUSA-N 1 1 323.397 -2.188 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063500 678476343 /nfs/dbraw/zinc/47/63/43/678476343.db2.gz PNVTYTIZLVTXAG-UTUOFQBUSA-N 1 1 323.397 -2.188 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046058740 678476370 /nfs/dbraw/zinc/47/63/70/678476370.db2.gz RYGGSCUCBGAITL-LBPRGKRZSA-N 1 1 320.397 -1.376 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058899 678476614 /nfs/dbraw/zinc/47/66/14/678476614.db2.gz VPBVBBGMMSCWMB-NSHDSACASA-N 1 1 323.397 -2.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058899 678476615 /nfs/dbraw/zinc/47/66/15/678476615.db2.gz VPBVBBGMMSCWMB-NSHDSACASA-N 1 1 323.397 -2.044 20 0 DAADMO O=C(CCc1cn[nH]n1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063678 678476640 /nfs/dbraw/zinc/47/66/40/678476640.db2.gz UNMFBOPWEYKXRI-CQSZACIVSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046063678 678476644 /nfs/dbraw/zinc/47/66/44/678476644.db2.gz UNMFBOPWEYKXRI-CQSZACIVSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063678 678476646 /nfs/dbraw/zinc/47/66/46/678476646.db2.gz UNMFBOPWEYKXRI-CQSZACIVSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046063678 678476649 /nfs/dbraw/zinc/47/66/49/678476649.db2.gz UNMFBOPWEYKXRI-CQSZACIVSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046063678 678476650 /nfs/dbraw/zinc/47/66/50/678476650.db2.gz UNMFBOPWEYKXRI-CQSZACIVSA-N 1 1 322.413 -1.052 20 0 DAADMO NC(=O)C1(C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)CC1 ZINC001046058450 678476712 /nfs/dbraw/zinc/47/67/12/678476712.db2.gz KIKGCDMEJSHMMC-ZDUSSCGKSA-N 1 1 324.425 -1.147 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046062775 678476729 /nfs/dbraw/zinc/47/67/29/678476729.db2.gz JIAMSMIXYJHMKQ-MCIONIFRSA-N 1 1 324.425 -1.027 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046058718 678476759 /nfs/dbraw/zinc/47/67/59/678476759.db2.gz RPGPRGCQGVOKEO-VXGBXAGGSA-N 1 1 311.386 -2.121 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC001046071338 678477077 /nfs/dbraw/zinc/47/70/77/678477077.db2.gz HOCKALDLGJAGKE-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046069235 678477092 /nfs/dbraw/zinc/47/70/92/678477092.db2.gz DSLAMTYJNQAZBC-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046079553 678477162 /nfs/dbraw/zinc/47/71/62/678477162.db2.gz VHJVXEXXSMKNOQ-LBPRGKRZSA-N 1 1 308.386 -1.442 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046079553 678477166 /nfs/dbraw/zinc/47/71/66/678477166.db2.gz VHJVXEXXSMKNOQ-LBPRGKRZSA-N 1 1 308.386 -1.442 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046079553 678477168 /nfs/dbraw/zinc/47/71/68/678477168.db2.gz VHJVXEXXSMKNOQ-LBPRGKRZSA-N 1 1 308.386 -1.442 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001046081655 678477220 /nfs/dbraw/zinc/47/72/20/678477220.db2.gz HSHNYHZKCADKOB-KBPBESRZSA-N 1 1 323.441 -1.358 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001046081656 678477235 /nfs/dbraw/zinc/47/72/35/678477235.db2.gz HSHNYHZKCADKOB-KGLIPLIRSA-N 1 1 323.441 -1.358 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046072212 678477383 /nfs/dbraw/zinc/47/73/83/678477383.db2.gz VMFRPXNQSYYZGX-LLVKDONJSA-N 1 1 321.385 -1.617 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046072212 678477384 /nfs/dbraw/zinc/47/73/84/678477384.db2.gz VMFRPXNQSYYZGX-LLVKDONJSA-N 1 1 321.385 -1.617 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046070667 678477419 /nfs/dbraw/zinc/47/74/19/678477419.db2.gz YSYYRFXKLYGKAU-GFCCVEGCSA-N 1 1 308.386 -1.361 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001046081658 678477654 /nfs/dbraw/zinc/47/76/54/678477654.db2.gz HSHNYHZKCADKOB-ZIAGYGMSSA-N 1 1 323.441 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046076913 678477732 /nfs/dbraw/zinc/47/77/32/678477732.db2.gz JCYPQZWSFKXQIS-LLVKDONJSA-N 1 1 321.385 -1.949 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046076913 678477734 /nfs/dbraw/zinc/47/77/34/678477734.db2.gz JCYPQZWSFKXQIS-LLVKDONJSA-N 1 1 321.385 -1.949 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046079552 678477749 /nfs/dbraw/zinc/47/77/49/678477749.db2.gz VHJVXEXXSMKNOQ-GFCCVEGCSA-N 1 1 308.386 -1.442 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046079552 678477752 /nfs/dbraw/zinc/47/77/52/678477752.db2.gz VHJVXEXXSMKNOQ-GFCCVEGCSA-N 1 1 308.386 -1.442 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046079552 678477754 /nfs/dbraw/zinc/47/77/54/678477754.db2.gz VHJVXEXXSMKNOQ-GFCCVEGCSA-N 1 1 308.386 -1.442 20 0 DAADMO O=C(Cn1cncn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046083532 678478402 /nfs/dbraw/zinc/47/84/02/678478402.db2.gz SJEKPADJDKHPQD-ZDUSSCGKSA-N 1 1 308.386 -1.511 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046247757 678480049 /nfs/dbraw/zinc/48/00/49/678480049.db2.gz INRLKEZJOHCGJX-WFASDCNBSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046247757 678480053 /nfs/dbraw/zinc/48/00/53/678480053.db2.gz INRLKEZJOHCGJX-WFASDCNBSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nncc1C(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046286418 678480440 /nfs/dbraw/zinc/48/04/40/678480440.db2.gz WTOIOCUEFYUKIG-YMTOWFKASA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046286418 678480443 /nfs/dbraw/zinc/48/04/43/678480443.db2.gz WTOIOCUEFYUKIG-YMTOWFKASA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046285736 678480553 /nfs/dbraw/zinc/48/05/53/678480553.db2.gz ALSUITZXNOOHIE-QMTHXVAHSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046285736 678480557 /nfs/dbraw/zinc/48/05/57/678480557.db2.gz ALSUITZXNOOHIE-QMTHXVAHSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046285734 678480601 /nfs/dbraw/zinc/48/06/01/678480601.db2.gz ALSUITZXNOOHIE-IINYFYTJSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046285734 678480604 /nfs/dbraw/zinc/48/06/04/678480604.db2.gz ALSUITZXNOOHIE-IINYFYTJSA-N 1 1 310.354 -1.046 20 0 DAADMO COCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001046308846 678481004 /nfs/dbraw/zinc/48/10/04/678481004.db2.gz INUOBMYCHBJPLY-QMTHXVAHSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001046308846 678481008 /nfs/dbraw/zinc/48/10/08/678481008.db2.gz INUOBMYCHBJPLY-QMTHXVAHSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001046308850 678481085 /nfs/dbraw/zinc/48/10/85/678481085.db2.gz INUOBMYCHBJPLY-YGRLFVJLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001046308850 678481087 /nfs/dbraw/zinc/48/10/87/678481087.db2.gz INUOBMYCHBJPLY-YGRLFVJLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](CNC(=O)C1CN(S(C)(=O)=O)C1)C[NH+]1CCOCC1 ZINC000900782996 678482009 /nfs/dbraw/zinc/48/20/09/678482009.db2.gz LFBASROCHCLTDF-LLVKDONJSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389829 678482091 /nfs/dbraw/zinc/48/20/91/678482091.db2.gz QSKWWXMAETZIAO-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389829 678482094 /nfs/dbraw/zinc/48/20/94/678482094.db2.gz QSKWWXMAETZIAO-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@H+](CC(N)=O)C1 ZINC001046432643 678482126 /nfs/dbraw/zinc/48/21/26/678482126.db2.gz UHPNNPWLIPDPAU-OTYXRUKQSA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046432643 678482129 /nfs/dbraw/zinc/48/21/29/678482129.db2.gz UHPNNPWLIPDPAU-OTYXRUKQSA-N 1 1 322.369 -1.388 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001046389805 678482204 /nfs/dbraw/zinc/48/22/04/678482204.db2.gz QDVWGAOHMNEAOR-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001046389805 678482207 /nfs/dbraw/zinc/48/22/07/678482207.db2.gz QDVWGAOHMNEAOR-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000900797718 678482821 /nfs/dbraw/zinc/48/28/21/678482821.db2.gz WQNJLLXLTNMLCW-DZGCQCFKSA-N 1 1 322.413 -1.123 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000900806997 678482991 /nfs/dbraw/zinc/48/29/91/678482991.db2.gz VCQFCSYXMAKLCY-CMPLNLGQSA-N 1 1 318.443 -1.372 20 0 DAADMO Cc1nc(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001046520779 678483241 /nfs/dbraw/zinc/48/32/41/678483241.db2.gz GELVGLCOIRKZKO-ZDUSSCGKSA-N 1 1 320.357 -1.120 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046502585 678483253 /nfs/dbraw/zinc/48/32/53/678483253.db2.gz KSQOPTVNVDJCLB-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046502585 678483256 /nfs/dbraw/zinc/48/32/56/678483256.db2.gz KSQOPTVNVDJCLB-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046505724 678483689 /nfs/dbraw/zinc/48/36/89/678483689.db2.gz KQPRCMPSUXRROK-IINYFYTJSA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046505724 678483692 /nfs/dbraw/zinc/48/36/92/678483692.db2.gz KQPRCMPSUXRROK-IINYFYTJSA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046537340 678484119 /nfs/dbraw/zinc/48/41/19/678484119.db2.gz MSVAKBFKMGVQCR-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046537340 678484121 /nfs/dbraw/zinc/48/41/21/678484121.db2.gz MSVAKBFKMGVQCR-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001046532047 678484295 /nfs/dbraw/zinc/48/42/95/678484295.db2.gz YIUFXTHVHFZVPV-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046539439 678484352 /nfs/dbraw/zinc/48/43/52/678484352.db2.gz QALHLUJKQFLWFR-FZMZJTMJSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046539438 678484408 /nfs/dbraw/zinc/48/44/08/678484408.db2.gz QALHLUJKQFLWFR-BXUZGUMPSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001046544766 678484993 /nfs/dbraw/zinc/48/49/93/678484993.db2.gz SJVXJBNHBAFFMI-TVQRCGJNSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001046544766 678484997 /nfs/dbraw/zinc/48/49/97/678484997.db2.gz SJVXJBNHBAFFMI-TVQRCGJNSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001046544764 678485111 /nfs/dbraw/zinc/48/51/11/678485111.db2.gz SJVXJBNHBAFFMI-NOZJJQNGSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001046544764 678485113 /nfs/dbraw/zinc/48/51/13/678485113.db2.gz SJVXJBNHBAFFMI-NOZJJQNGSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001046546021 678485443 /nfs/dbraw/zinc/48/54/43/678485443.db2.gz CBTUDBPQFZCSBN-TVQRCGJNSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001046546021 678485445 /nfs/dbraw/zinc/48/54/45/678485445.db2.gz CBTUDBPQFZCSBN-TVQRCGJNSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549125 678485632 /nfs/dbraw/zinc/48/56/32/678485632.db2.gz YDXQDNLSSJZABV-OQPBUACISA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549125 678485633 /nfs/dbraw/zinc/48/56/33/678485633.db2.gz YDXQDNLSSJZABV-OQPBUACISA-N 1 1 321.341 -1.791 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584429 678486173 /nfs/dbraw/zinc/48/61/73/678486173.db2.gz AYAMAAUILZEDFK-ABAIWWIYSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584429 678486175 /nfs/dbraw/zinc/48/61/75/678486175.db2.gz AYAMAAUILZEDFK-ABAIWWIYSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)CC2 ZINC001046575938 678486344 /nfs/dbraw/zinc/48/63/44/678486344.db2.gz YELPIHPNNSHGOW-BMIGLBTASA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)CC2 ZINC001046575938 678486346 /nfs/dbraw/zinc/48/63/46/678486346.db2.gz YELPIHPNNSHGOW-BMIGLBTASA-N 1 1 320.397 -1.014 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046587934 678486883 /nfs/dbraw/zinc/48/68/83/678486883.db2.gz MFRMFMDXQXXHIW-HZMBPMFUSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046587934 678486887 /nfs/dbraw/zinc/48/68/87/678486887.db2.gz MFRMFMDXQXXHIW-HZMBPMFUSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046588116 678487057 /nfs/dbraw/zinc/48/70/57/678487057.db2.gz OJIYXVLSYNHOQJ-QMTHXVAHSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046588116 678487058 /nfs/dbraw/zinc/48/70/58/678487058.db2.gz OJIYXVLSYNHOQJ-QMTHXVAHSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046588207 678487111 /nfs/dbraw/zinc/48/71/11/678487111.db2.gz OVORHBAAMWKTQC-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046588205 678487177 /nfs/dbraw/zinc/48/71/77/678487177.db2.gz OVORHBAAMWKTQC-IAQYHMDHSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046620467 678487666 /nfs/dbraw/zinc/48/76/66/678487666.db2.gz BCXKDTZHANSDKX-ZETOZRRWSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@H+](CC(N)=O)C1 ZINC001046638234 678487767 /nfs/dbraw/zinc/48/77/67/678487767.db2.gz VSFXFLJVYZQFKV-YGRLFVJLSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046638234 678487770 /nfs/dbraw/zinc/48/77/70/678487770.db2.gz VSFXFLJVYZQFKV-YGRLFVJLSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046620466 678487829 /nfs/dbraw/zinc/48/78/29/678487829.db2.gz BCXKDTZHANSDKX-JRPNMDOOSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001046684463 678488237 /nfs/dbraw/zinc/48/82/37/678488237.db2.gz IRIDVCRLYAZVEL-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001046684461 678488305 /nfs/dbraw/zinc/48/83/05/678488305.db2.gz IRIDVCRLYAZVEL-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3cnn[n-]3)C2)C1 ZINC001046683857 678488397 /nfs/dbraw/zinc/48/83/97/678488397.db2.gz DCZQIUHBWDNOFS-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001046683857 678488399 /nfs/dbraw/zinc/48/83/99/678488399.db2.gz DCZQIUHBWDNOFS-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001046683857 678488401 /nfs/dbraw/zinc/48/84/01/678488401.db2.gz DCZQIUHBWDNOFS-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1)CC(C)(C)C ZINC001046696259 678488822 /nfs/dbraw/zinc/48/88/22/678488822.db2.gz RWPIHYADJDFZFC-UHFFFAOYSA-N 1 1 314.386 -1.861 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001046684466 678488929 /nfs/dbraw/zinc/48/89/29/678488929.db2.gz IRIDVCRLYAZVEL-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001046689112 678488960 /nfs/dbraw/zinc/48/89/60/678488960.db2.gz HKQIPRUSVVLIQD-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CCCO)C1 ZINC001046698001 678488978 /nfs/dbraw/zinc/48/89/78/678488978.db2.gz YOFXRWGHZSLCMB-CIQACWJJSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001046685397 678489000 /nfs/dbraw/zinc/48/90/00/678489000.db2.gz SLMPWLUKAYZLGK-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685397 678489001 /nfs/dbraw/zinc/48/90/01/678489001.db2.gz SLMPWLUKAYZLGK-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685397 678489003 /nfs/dbraw/zinc/48/90/03/678489003.db2.gz SLMPWLUKAYZLGK-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO CN1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)S1(=O)=O ZINC001046689638 678489009 /nfs/dbraw/zinc/48/90/09/678489009.db2.gz MGKBBVNHZHEWNW-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695244 678489035 /nfs/dbraw/zinc/48/90/35/678489035.db2.gz KMAIBPHQYZTFDW-CLAHSXSESA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695244 678489037 /nfs/dbraw/zinc/48/90/37/678489037.db2.gz KMAIBPHQYZTFDW-CLAHSXSESA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001046699689 678489089 /nfs/dbraw/zinc/48/90/89/678489089.db2.gz PQYOIKOAVDMDRP-MEBBXXQBSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001046699689 678489091 /nfs/dbraw/zinc/48/90/91/678489091.db2.gz PQYOIKOAVDMDRP-MEBBXXQBSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001046685687 678489101 /nfs/dbraw/zinc/48/91/01/678489101.db2.gz VNLTYYZAJSOXHV-VHSXEESVSA-N 1 1 312.370 -2.251 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001046685685 678489109 /nfs/dbraw/zinc/48/91/09/678489109.db2.gz VNLTYYZAJSOXHV-NXEZZACHSA-N 1 1 312.370 -2.251 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046712420 678489528 /nfs/dbraw/zinc/48/95/28/678489528.db2.gz IQKIQYXGRMOGOL-OUAUKWLOSA-N 1 1 324.381 -2.109 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768783 678491126 /nfs/dbraw/zinc/49/11/26/678491126.db2.gz GEQGBCXWLKXHIO-YMTOWFKASA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768782 678491327 /nfs/dbraw/zinc/49/13/27/678491327.db2.gz GEQGBCXWLKXHIO-XPTSAGLGSA-N 1 1 320.353 -1.007 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854299 678492208 /nfs/dbraw/zinc/49/22/08/678492208.db2.gz NCRDVUFHHWROPD-HZMBPMFUSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046844566 678492416 /nfs/dbraw/zinc/49/24/16/678492416.db2.gz QOOKLPLKSNLCNF-KCJUWKMLSA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046844566 678492418 /nfs/dbraw/zinc/49/24/18/678492418.db2.gz QOOKLPLKSNLCNF-KCJUWKMLSA-N 1 1 304.372 -2.256 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)nn1 ZINC001046854201 678492477 /nfs/dbraw/zinc/49/24/77/678492477.db2.gz LWHIHCPTGNBHFV-CQSZACIVSA-N 1 1 324.385 -1.447 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829231 678492485 /nfs/dbraw/zinc/49/24/85/678492485.db2.gz KHQJSPQTTHVBFQ-CQSZACIVSA-N 1 1 323.353 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046829231 678492488 /nfs/dbraw/zinc/49/24/88/678492488.db2.gz KHQJSPQTTHVBFQ-CQSZACIVSA-N 1 1 323.353 -1.574 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046844322 678492505 /nfs/dbraw/zinc/49/25/05/678492505.db2.gz NYOLPNFCTWDRCA-CMPLNLGQSA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854447 678492602 /nfs/dbraw/zinc/49/26/02/678492602.db2.gz PIJOZGWQSYWPJI-AMIZOPFISA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854447 678492605 /nfs/dbraw/zinc/49/26/05/678492605.db2.gz PIJOZGWQSYWPJI-AMIZOPFISA-N 1 1 323.357 -2.169 20 0 DAADMO Cn1nc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001046822680 678492622 /nfs/dbraw/zinc/49/26/22/678492622.db2.gz SNCQPSRGRUKEHZ-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001046822680 678492625 /nfs/dbraw/zinc/49/26/25/678492625.db2.gz SNCQPSRGRUKEHZ-ABAIWWIYSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859004 678493219 /nfs/dbraw/zinc/49/32/19/678493219.db2.gz IIVLXYJETLRFEV-XPTSAGLGSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859004 678493223 /nfs/dbraw/zinc/49/32/23/678493223.db2.gz IIVLXYJETLRFEV-XPTSAGLGSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@]1(NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+](CCCO)C1 ZINC001046855246 678493293 /nfs/dbraw/zinc/49/32/93/678493293.db2.gz ZYMLWGTUERNLEM-ZDUSSCGKSA-N 1 1 310.358 -1.660 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046855116 678493412 /nfs/dbraw/zinc/49/34/12/678493412.db2.gz YTEDJGRVGSWNSF-HZMBPMFUSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001046905168 678496494 /nfs/dbraw/zinc/49/64/94/678496494.db2.gz PIZSYSRBEURKHU-SNVBAGLBSA-N 1 1 324.385 -1.623 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCC1(F)F)[C@H]1CNC(=O)N1 ZINC001046971100 678497857 /nfs/dbraw/zinc/49/78/57/678497857.db2.gz NRKLAMUEBJRJKK-DTWKUNHWSA-N 1 1 306.313 -1.267 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)ncc1=O ZINC001047116679 678499542 /nfs/dbraw/zinc/49/95/42/678499542.db2.gz SASKJZFIXKZPLH-DCAQKATOSA-N 1 1 319.365 -1.152 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047123136 678499976 /nfs/dbraw/zinc/49/99/76/678499976.db2.gz QFYIGRAOXRULLC-MJBXVCDLSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C1CC1)C2 ZINC001047136929 678500537 /nfs/dbraw/zinc/50/05/37/678500537.db2.gz ZKHUDUIFQVPAOY-NGZCFLSTSA-N 1 1 319.369 -1.038 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001047136929 678500541 /nfs/dbraw/zinc/50/05/41/678500541.db2.gz ZKHUDUIFQVPAOY-NGZCFLSTSA-N 1 1 319.369 -1.038 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001047138031 678500561 /nfs/dbraw/zinc/50/05/61/678500561.db2.gz RDMNJZKCIMRBEB-GUBZILKMSA-N 1 1 323.353 -2.007 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)C1 ZINC001047136897 678500571 /nfs/dbraw/zinc/50/05/71/678500571.db2.gz YBEQTKQIQSKPCF-RYUDHWBXSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)C1 ZINC001047136897 678500574 /nfs/dbraw/zinc/50/05/74/678500574.db2.gz YBEQTKQIQSKPCF-RYUDHWBXSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)C1 ZINC001047136895 678500625 /nfs/dbraw/zinc/50/06/25/678500625.db2.gz YBEQTKQIQSKPCF-NEPJUHHUSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)C1 ZINC001047136895 678500627 /nfs/dbraw/zinc/50/06/27/678500627.db2.gz YBEQTKQIQSKPCF-NEPJUHHUSA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047162480 678501281 /nfs/dbraw/zinc/50/12/81/678501281.db2.gz LXUJGYCLCKXDFL-SRVKXCTJSA-N 1 1 324.381 -1.110 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001047266600 678502449 /nfs/dbraw/zinc/50/24/49/678502449.db2.gz CWIGEENPSAAHQJ-RYUDHWBXSA-N 1 1 324.381 -1.503 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001047266600 678502454 /nfs/dbraw/zinc/50/24/54/678502454.db2.gz CWIGEENPSAAHQJ-RYUDHWBXSA-N 1 1 324.381 -1.503 20 0 DAADMO Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)ccc1=O ZINC001047193038 678502504 /nfs/dbraw/zinc/50/25/04/678502504.db2.gz AAPHUPPKBUNTBA-DCAQKATOSA-N 1 1 319.365 -1.152 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047197381 678502546 /nfs/dbraw/zinc/50/25/46/678502546.db2.gz GQUXVFSLMYWYIS-TUAOUCFPSA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047279814 678502573 /nfs/dbraw/zinc/50/25/73/678502573.db2.gz ZESVZEWGSIFANU-QWRGUYRKSA-N 1 1 310.354 -1.548 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047279814 678502574 /nfs/dbraw/zinc/50/25/74/678502574.db2.gz ZESVZEWGSIFANU-QWRGUYRKSA-N 1 1 310.354 -1.548 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047198111 678502609 /nfs/dbraw/zinc/50/26/09/678502609.db2.gz STLSHHBOPCKCCP-DCAQKATOSA-N 1 1 310.354 -1.500 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295393 678503625 /nfs/dbraw/zinc/50/36/25/678503625.db2.gz LKJZNWNOMMGHCD-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295393 678503629 /nfs/dbraw/zinc/50/36/29/678503629.db2.gz LKJZNWNOMMGHCD-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047297329 678504248 /nfs/dbraw/zinc/50/42/48/678504248.db2.gz NPOWEGZPRCTCOU-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047297329 678504249 /nfs/dbraw/zinc/50/42/49/678504249.db2.gz NPOWEGZPRCTCOU-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047309391 678505166 /nfs/dbraw/zinc/50/51/66/678505166.db2.gz BKYOXUOPOMQGSE-DCAQKATOSA-N 1 1 321.337 -1.668 20 0 DAADMO CCc1cc(C(=O)N(C)[C@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)n[nH]1 ZINC001047309660 678505242 /nfs/dbraw/zinc/50/52/42/678505242.db2.gz KQLWZSJBJHGQRW-AGIUHOORSA-N 1 1 321.381 -1.022 20 0 DAADMO CCc1cc(C(=O)N(C)[C@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)n[nH]1 ZINC001047307299 678505287 /nfs/dbraw/zinc/50/52/87/678505287.db2.gz IAXGDZZSSSPUSK-ZHAHWJHGSA-N 1 1 309.370 -1.037 20 0 DAADMO CCc1cc(C(=O)N(C)[C@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)n[nH]1 ZINC001047309661 678505576 /nfs/dbraw/zinc/50/55/76/678505576.db2.gz KQLWZSJBJHGQRW-AVGNSLFASA-N 1 1 321.381 -1.022 20 0 DAADMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047312169 678506007 /nfs/dbraw/zinc/50/60/07/678506007.db2.gz QTXJDKPOXZNQPR-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047312169 678506012 /nfs/dbraw/zinc/50/60/12/678506012.db2.gz QTXJDKPOXZNQPR-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047312169 678506018 /nfs/dbraw/zinc/50/60/18/678506018.db2.gz QTXJDKPOXZNQPR-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047312169 678506022 /nfs/dbraw/zinc/50/60/22/678506022.db2.gz QTXJDKPOXZNQPR-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047312351 678506247 /nfs/dbraw/zinc/50/62/47/678506247.db2.gz TUMHSTOSRWADRS-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047312351 678506249 /nfs/dbraw/zinc/50/62/49/678506249.db2.gz TUMHSTOSRWADRS-RYUDHWBXSA-N 1 1 322.369 -1.448 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001047316396 678506292 /nfs/dbraw/zinc/50/62/92/678506292.db2.gz UQYXOSINGLUHCP-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001047316396 678506294 /nfs/dbraw/zinc/50/62/94/678506294.db2.gz UQYXOSINGLUHCP-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001047321061 678506632 /nfs/dbraw/zinc/50/66/32/678506632.db2.gz BUPPJAAPSVQFMO-AGIUHOORSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047324280 678507429 /nfs/dbraw/zinc/50/74/29/678507429.db2.gz MRNGTUMYYVSSKZ-RDBSUJKOSA-N 1 1 322.413 -1.124 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001047324028 678507491 /nfs/dbraw/zinc/50/74/91/678507491.db2.gz FSVIVJYRHPPDJT-AGIUHOORSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001047324500 678507767 /nfs/dbraw/zinc/50/77/67/678507767.db2.gz RBTHBAPYAVXTGZ-RDBSUJKOSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047332061 678508251 /nfs/dbraw/zinc/50/82/51/678508251.db2.gz OAUPAPOZOIUROO-STQMWFEESA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047332395 678508691 /nfs/dbraw/zinc/50/86/91/678508691.db2.gz TXOYRVVGUOORIA-AVGNSLFASA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047332395 678508694 /nfs/dbraw/zinc/50/86/94/678508694.db2.gz TXOYRVVGUOORIA-AVGNSLFASA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047332395 678508697 /nfs/dbraw/zinc/50/86/97/678508697.db2.gz TXOYRVVGUOORIA-AVGNSLFASA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047333073 678508804 /nfs/dbraw/zinc/50/88/04/678508804.db2.gz NWMLYXDQYYOWFE-STQMWFEESA-N 1 1 319.369 -1.253 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047333073 678508806 /nfs/dbraw/zinc/50/88/06/678508806.db2.gz NWMLYXDQYYOWFE-STQMWFEESA-N 1 1 319.369 -1.253 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047333073 678508811 /nfs/dbraw/zinc/50/88/11/678508811.db2.gz NWMLYXDQYYOWFE-STQMWFEESA-N 1 1 319.369 -1.253 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333354 678509556 /nfs/dbraw/zinc/50/95/56/678509556.db2.gz ZUKPBLAGEFBLRT-SRVKXCTJSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333354 678509557 /nfs/dbraw/zinc/50/95/57/678509557.db2.gz ZUKPBLAGEFBLRT-SRVKXCTJSA-N 1 1 309.370 -1.280 20 0 DAADMO CN(C(=O)c1cncnc1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047358380 678511025 /nfs/dbraw/zinc/51/10/25/678511025.db2.gz VCQONRBNDVTJEL-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cncnc1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047358380 678511031 /nfs/dbraw/zinc/51/10/31/678511031.db2.gz VCQONRBNDVTJEL-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047370572 678512025 /nfs/dbraw/zinc/51/20/25/678512025.db2.gz MOVMOPWVBLAWLO-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047370572 678512028 /nfs/dbraw/zinc/51/20/28/678512028.db2.gz MOVMOPWVBLAWLO-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047368906 678512098 /nfs/dbraw/zinc/51/20/98/678512098.db2.gz YXWBEZBREPINTB-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047368906 678512099 /nfs/dbraw/zinc/51/20/99/678512099.db2.gz YXWBEZBREPINTB-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001047375237 678512974 /nfs/dbraw/zinc/51/29/74/678512974.db2.gz JJRNVKFKSXUAKQ-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001047375237 678512975 /nfs/dbraw/zinc/51/29/75/678512975.db2.gz JJRNVKFKSXUAKQ-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047380926 678513285 /nfs/dbraw/zinc/51/32/85/678513285.db2.gz AMIGRYVLRVMYMV-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047381017 678513427 /nfs/dbraw/zinc/51/34/27/678513427.db2.gz DHDPCEZLMMFMTO-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)ncn1 ZINC001047381173 678514232 /nfs/dbraw/zinc/51/42/32/678514232.db2.gz FZDSCALNDXLTKB-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO CC[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1)OC ZINC001047381636 678514411 /nfs/dbraw/zinc/51/44/11/678514411.db2.gz PALRVOPBXYYPBX-WOPDTQHZSA-N 1 1 312.374 -1.398 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386028 678515019 /nfs/dbraw/zinc/51/50/19/678515019.db2.gz KHFWODDMGCPFNO-QWRGUYRKSA-N 1 1 324.385 -1.464 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 ZINC001047392326 678515246 /nfs/dbraw/zinc/51/52/46/678515246.db2.gz BMUDCTDMLVEBIC-RYUDHWBXSA-N 1 1 320.353 -1.112 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047398363 678515959 /nfs/dbraw/zinc/51/59/59/678515959.db2.gz ZJDOMMIZHDCUCB-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO CC(C)N1C[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001047401645 678516027 /nfs/dbraw/zinc/51/60/27/678516027.db2.gz AOOZLIYQFAYTBT-AVGNSLFASA-N 1 1 313.398 -1.261 20 0 DAADMO CN(C(=O)c1ccc2n[nH]nc2n1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047405660 678516259 /nfs/dbraw/zinc/51/62/59/678516259.db2.gz PNUZUBDHRFIFEJ-RYUDHWBXSA-N 1 1 320.353 -1.148 20 0 DAADMO CN(C(=O)C[C@H]1CCC(=O)NC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047406589 678516310 /nfs/dbraw/zinc/51/63/10/678516310.db2.gz IDOGZVHMVJBESV-AGIUHOORSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)c1ccc2n[nH]nc2n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047405055 678516380 /nfs/dbraw/zinc/51/63/80/678516380.db2.gz AOUKRJMDNSDMLP-QWRGUYRKSA-N 1 1 306.326 -1.538 20 0 DAADMO CN(C(=O)c1ccc2n[nH]nc2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047405055 678516384 /nfs/dbraw/zinc/51/63/84/678516384.db2.gz AOUKRJMDNSDMLP-QWRGUYRKSA-N 1 1 306.326 -1.538 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 ZINC001047415559 678516834 /nfs/dbraw/zinc/51/68/34/678516834.db2.gz GFQLKVNBVMSVNM-DRZSPHRISA-N 1 1 324.381 -1.089 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3n(n2)CCO3)C1 ZINC001047410358 678516953 /nfs/dbraw/zinc/51/69/53/678516953.db2.gz ISUAJLNCEGEQGW-USWWRNFRSA-N 1 1 310.354 -1.227 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047410304 678517092 /nfs/dbraw/zinc/51/70/92/678517092.db2.gz GNJOHNHWFFWMLH-RYUDHWBXSA-N 1 1 317.361 -1.292 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047414014 678517138 /nfs/dbraw/zinc/51/71/38/678517138.db2.gz VCVWYWOIUTYOPC-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414217 678517232 /nfs/dbraw/zinc/51/72/32/678517232.db2.gz HMBDOXZODCPUTP-KATARQTJSA-N 1 1 314.342 -2.531 20 0 DAADMO CN(C(=O)C[C@H]1CCN(C)C1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047420235 678517997 /nfs/dbraw/zinc/51/79/97/678517997.db2.gz FSSNDDMCLTYKOR-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO COCc1nn(C)cc1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047433101 678518446 /nfs/dbraw/zinc/51/84/46/678518446.db2.gz XBOYFSNFJHGOGN-STQMWFEESA-N 1 1 312.370 -1.324 20 0 DAADMO COCc1nn(C)cc1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047433101 678518449 /nfs/dbraw/zinc/51/84/49/678518449.db2.gz XBOYFSNFJHGOGN-STQMWFEESA-N 1 1 312.370 -1.324 20 0 DAADMO CN(C(=O)[C@H]1CCn2cncc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047432021 678518589 /nfs/dbraw/zinc/51/85/89/678518589.db2.gz VFEDTOGEHJGSLA-UBHSHLNASA-N 1 1 308.382 -1.059 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047434593 678519099 /nfs/dbraw/zinc/51/90/99/678519099.db2.gz VTISBVILVXKSKK-QWRGUYRKSA-N 1 1 315.349 -1.555 20 0 DAADMO CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047434643 678519152 /nfs/dbraw/zinc/51/91/52/678519152.db2.gz ZXAHBDKHXLDECS-STQMWFEESA-N 1 1 307.350 -1.105 20 0 DAADMO CN(C(=O)c1ccc2c(n1)OCCO2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047441635 678520110 /nfs/dbraw/zinc/52/01/10/678520110.db2.gz KQZNDPKFEUOTBY-RYUDHWBXSA-N 1 1 323.349 -1.038 20 0 DAADMO CN(C(=O)c1ccc2c(n1)OCCO2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047441635 678520112 /nfs/dbraw/zinc/52/01/12/678520112.db2.gz KQZNDPKFEUOTBY-RYUDHWBXSA-N 1 1 323.349 -1.038 20 0 DAADMO CN(C(=O)c1ccnc2c1CC(=O)N2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047441383 678520163 /nfs/dbraw/zinc/52/01/63/678520163.db2.gz BYOOPZLISCLZGU-RYUDHWBXSA-N 1 1 320.349 -1.314 20 0 DAADMO CN(C(=O)c1ccnc2c1CC(=O)N2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047441383 678520165 /nfs/dbraw/zinc/52/01/65/678520165.db2.gz BYOOPZLISCLZGU-RYUDHWBXSA-N 1 1 320.349 -1.314 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001047443798 678520619 /nfs/dbraw/zinc/52/06/19/678520619.db2.gz MSXKTVRTZPHLRK-ICCXJUOJSA-N 1 1 324.381 -1.378 20 0 DAADMO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047445586 678520753 /nfs/dbraw/zinc/52/07/53/678520753.db2.gz FDYAVCVPAPALMA-UWVGGRQHSA-N 1 1 312.326 -2.555 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)o2)C1 ZINC001047451786 678521287 /nfs/dbraw/zinc/52/12/87/678521287.db2.gz MBFHELSNIGYCFB-UTLUCORTSA-N 1 1 311.338 -1.124 20 0 DAADMO COc1cnc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)nc1 ZINC001047452842 678521455 /nfs/dbraw/zinc/52/14/55/678521455.db2.gz XIZCGDNVHZKHDM-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047450462 678521599 /nfs/dbraw/zinc/52/15/99/678521599.db2.gz XKCOPOWAOVGWOA-SRVKXCTJSA-N 1 1 314.386 -1.727 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001047453425 678521710 /nfs/dbraw/zinc/52/17/10/678521710.db2.gz XOXRZDKYNYDOPU-JKOKRWQUSA-N 1 1 309.366 -1.117 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001047453425 678521713 /nfs/dbraw/zinc/52/17/13/678521713.db2.gz XOXRZDKYNYDOPU-JKOKRWQUSA-N 1 1 309.366 -1.117 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001047458022 678521809 /nfs/dbraw/zinc/52/18/09/678521809.db2.gz FMRSLIZHAOBUTM-WOPDTQHZSA-N 1 1 309.370 -1.431 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458727 678522100 /nfs/dbraw/zinc/52/21/00/678522100.db2.gz BYNRWZONQVRZAO-RYUDHWBXSA-N 1 1 309.370 -1.559 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047462967 678522120 /nfs/dbraw/zinc/52/21/20/678522120.db2.gz QALYGIKGCFDMIQ-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCS2(=O)=O)C1 ZINC001047458421 678522128 /nfs/dbraw/zinc/52/21/28/678522128.db2.gz MUHWWUWCGKYYOX-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001047458902 678522197 /nfs/dbraw/zinc/52/21/97/678522197.db2.gz HDBPQQXZUNMJAD-STQMWFEESA-N 1 1 323.397 -1.217 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001047632039 678538883 /nfs/dbraw/zinc/53/88/83/678538883.db2.gz WSCBWCITZMXHQO-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CN(C(=O)[C@H]1CCNC(=O)CC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047470436 678523019 /nfs/dbraw/zinc/52/30/19/678523019.db2.gz OPXOPCBSKUTQMX-AGIUHOORSA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001047468723 678523032 /nfs/dbraw/zinc/52/30/32/678523032.db2.gz RUCQPTAMFPINBN-AGIUHOORSA-N 1 1 323.397 -1.355 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047482728 678523253 /nfs/dbraw/zinc/52/32/53/678523253.db2.gz HXGSKTQUQAUFNL-AVGNSLFASA-N 1 1 321.381 -1.440 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047482728 678523257 /nfs/dbraw/zinc/52/32/57/678523257.db2.gz HXGSKTQUQAUFNL-AVGNSLFASA-N 1 1 321.381 -1.440 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483692 678523897 /nfs/dbraw/zinc/52/38/97/678523897.db2.gz HOESGWYFBIHMOW-SRVKXCTJSA-N 1 1 314.386 -2.698 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047486886 678524091 /nfs/dbraw/zinc/52/40/91/678524091.db2.gz PGFSKBQWWNCIFT-DCAQKATOSA-N 1 1 300.359 -2.104 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047483839 678524188 /nfs/dbraw/zinc/52/41/88/678524188.db2.gz JAKGRFKBVUDBGK-QWRGUYRKSA-N 1 1 300.359 -3.086 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047485833 678524257 /nfs/dbraw/zinc/52/42/57/678524257.db2.gz AXHPUWHFXMYXER-NDBYEHHHSA-N 1 1 312.414 -1.152 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047484312 678524310 /nfs/dbraw/zinc/52/43/10/678524310.db2.gz RGMFPCGOMIFVLZ-CRWXNKLISA-N 1 1 324.425 -1.137 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047489260 678524976 /nfs/dbraw/zinc/52/49/76/678524976.db2.gz RIALIWUEDNDHHE-SRVKXCTJSA-N 1 1 324.385 -1.104 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047493633 678525549 /nfs/dbraw/zinc/52/55/49/678525549.db2.gz ODKNWNKDMNAXEI-CYDGBPFRSA-N 1 1 312.414 -1.152 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC001047500442 678525988 /nfs/dbraw/zinc/52/59/88/678525988.db2.gz COHBKGRBTZVRSZ-CYDGBPFRSA-N 1 1 312.414 -1.295 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047506646 678526176 /nfs/dbraw/zinc/52/61/76/678526176.db2.gz DDXJLCUPBVKIMI-VWYCJHECSA-N 1 1 323.357 -2.537 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047506646 678526180 /nfs/dbraw/zinc/52/61/80/678526180.db2.gz DDXJLCUPBVKIMI-VWYCJHECSA-N 1 1 323.357 -2.537 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047505701 678526205 /nfs/dbraw/zinc/52/62/05/678526205.db2.gz TUWFVANZWMWFQV-DLOVCJGASA-N 1 1 310.354 -1.078 20 0 DAADMO Cc1noc(CCC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047506924 678526793 /nfs/dbraw/zinc/52/67/93/678526793.db2.gz LEGPCJPGQVAWDF-UWVGGRQHSA-N 1 1 311.342 -1.701 20 0 DAADMO Cc1noc(CCC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047506924 678526796 /nfs/dbraw/zinc/52/67/96/678526796.db2.gz LEGPCJPGQVAWDF-UWVGGRQHSA-N 1 1 311.342 -1.701 20 0 DAADMO CCc1c(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)nnn1CC ZINC001047524531 678527741 /nfs/dbraw/zinc/52/77/41/678527741.db2.gz MMBGUQMKAZQEKW-RYUDHWBXSA-N 1 1 311.386 -1.030 20 0 DAADMO CCc1c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)nnn1CC ZINC001047524531 678527742 /nfs/dbraw/zinc/52/77/42/678527742.db2.gz MMBGUQMKAZQEKW-RYUDHWBXSA-N 1 1 311.386 -1.030 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047525959 678527859 /nfs/dbraw/zinc/52/78/59/678527859.db2.gz BWXXSBJHTRAAGV-FIQHERPVSA-N 1 1 315.370 -2.095 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(=O)n2C)C1 ZINC001047520890 678528054 /nfs/dbraw/zinc/52/80/54/678528054.db2.gz GAOUYAHHLSBUCJ-WXHSDQCUSA-N 1 1 309.366 -1.117 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047530289 678528636 /nfs/dbraw/zinc/52/86/36/678528636.db2.gz XHTMJIUPJGQHKW-QWRGUYRKSA-N 1 1 311.338 -1.095 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544500 678529121 /nfs/dbraw/zinc/52/91/21/678529121.db2.gz BSQUTURGYYXDDL-SRVKXCTJSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544500 678529125 /nfs/dbraw/zinc/52/91/25/678529125.db2.gz BSQUTURGYYXDDL-SRVKXCTJSA-N 1 1 309.370 -1.280 20 0 DAADMO Cc1ccn(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)c1 ZINC001047548524 678529365 /nfs/dbraw/zinc/52/93/65/678529365.db2.gz BPCBBXATNRZZLO-STQMWFEESA-N 1 1 309.366 -1.347 20 0 DAADMO CN(C(=O)c1ccnnc1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047543584 678529410 /nfs/dbraw/zinc/52/94/10/678529410.db2.gz WVQREDPRUJTVBU-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1ccnnc1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047543584 678529413 /nfs/dbraw/zinc/52/94/13/678529413.db2.gz WVQREDPRUJTVBU-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047554357 678529713 /nfs/dbraw/zinc/52/97/13/678529713.db2.gz CTHOHOKTQUREPL-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047554357 678529716 /nfs/dbraw/zinc/52/97/16/678529716.db2.gz CTHOHOKTQUREPL-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO COc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001047553299 678529907 /nfs/dbraw/zinc/52/99/07/678529907.db2.gz YMWBCXOKUPSENM-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047549286 678529976 /nfs/dbraw/zinc/52/99/76/678529976.db2.gz RDZSCFXUTWJZMR-GUBZILKMSA-N 1 1 314.342 -2.266 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047549299 678529983 /nfs/dbraw/zinc/52/99/83/678529983.db2.gz ROIAKNKGJDERQG-GUBZILKMSA-N 1 1 316.333 -1.552 20 0 DAADMO CC(C)c1nnnn1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047557405 678530001 /nfs/dbraw/zinc/53/00/01/678530001.db2.gz UUFZMQWUPXPSJU-QWRGUYRKSA-N 1 1 312.374 -1.708 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001047561440 678530651 /nfs/dbraw/zinc/53/06/51/678530651.db2.gz KTAADSFMRJPWNK-SRVKXCTJSA-N 1 1 319.427 -1.068 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001047561439 678530680 /nfs/dbraw/zinc/53/06/80/678530680.db2.gz KTAADSFMRJPWNK-SDDRHHMPSA-N 1 1 319.427 -1.068 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047563045 678530709 /nfs/dbraw/zinc/53/07/09/678530709.db2.gz BRQHTQVLYJKXKR-DRZSPHRISA-N 1 1 309.370 -1.031 20 0 DAADMO CN(C(=O)c1nc2ncccn2n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047569441 678531129 /nfs/dbraw/zinc/53/11/29/678531129.db2.gz WRSKWOGJRAIKNS-UWVGGRQHSA-N 1 1 306.326 -1.766 20 0 DAADMO CN(C(=O)c1nc2ncccn2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047569441 678531130 /nfs/dbraw/zinc/53/11/30/678531130.db2.gz WRSKWOGJRAIKNS-UWVGGRQHSA-N 1 1 306.326 -1.766 20 0 DAADMO CN(C(=O)c1ccncn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047571479 678531716 /nfs/dbraw/zinc/53/17/16/678531716.db2.gz HPKMRMPJNVRHNH-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1ccncn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047571479 678531719 /nfs/dbraw/zinc/53/17/19/678531719.db2.gz HPKMRMPJNVRHNH-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cccnn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047574632 678532249 /nfs/dbraw/zinc/53/22/49/678532249.db2.gz RMLOWBQFOPXTNZ-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cccnn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047574632 678532253 /nfs/dbraw/zinc/53/22/53/678532253.db2.gz RMLOWBQFOPXTNZ-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO COc1ncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cn1 ZINC001047585859 678532982 /nfs/dbraw/zinc/53/29/82/678532982.db2.gz UYHVOPWOAONKPQ-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047579088 678533034 /nfs/dbraw/zinc/53/30/34/678533034.db2.gz NSMXVRYVYORDGC-RYUDHWBXSA-N 1 1 319.369 -1.253 20 0 DAADMO CN(C(=O)CN1CCC(=O)NC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047588679 678533697 /nfs/dbraw/zinc/53/36/97/678533697.db2.gz OPXKRBWZZWEPAX-UWVGGRQHSA-N 1 1 314.342 -2.576 20 0 DAADMO CN(C(=O)[C@H]1CCCCN1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047592359 678533761 /nfs/dbraw/zinc/53/37/61/678533761.db2.gz LNJTXAXGCOULFD-WOPDTQHZSA-N 1 1 314.386 -1.585 20 0 DAADMO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597418 678534249 /nfs/dbraw/zinc/53/42/49/678534249.db2.gz OWQCBDXNKPEUNF-QWRGUYRKSA-N 1 1 321.337 -1.456 20 0 DAADMO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597400 678534385 /nfs/dbraw/zinc/53/43/85/678534385.db2.gz NVEBFYJPSGBUTD-UWVGGRQHSA-N 1 1 314.342 -2.624 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047592920 678534620 /nfs/dbraw/zinc/53/46/20/678534620.db2.gz LQKOBQWPOAEOAF-DCAQKATOSA-N 1 1 324.385 -1.673 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047592920 678534624 /nfs/dbraw/zinc/53/46/24/678534624.db2.gz LQKOBQWPOAEOAF-DCAQKATOSA-N 1 1 324.385 -1.673 20 0 DAADMO CN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047593853 678534648 /nfs/dbraw/zinc/53/46/48/678534648.db2.gz YYJPINQJWWMIHB-ICCXJUOJSA-N 1 1 309.370 -1.595 20 0 DAADMO CN(C(=O)[C@H]1CCCCN(C)C1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047593632 678534673 /nfs/dbraw/zinc/53/46/73/678534673.db2.gz PUJSUSCIBJNHNN-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598003 678534752 /nfs/dbraw/zinc/53/47/52/678534752.db2.gz QETNAYROJYLZTK-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598003 678534754 /nfs/dbraw/zinc/53/47/54/678534754.db2.gz QETNAYROJYLZTK-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001047597767 678534799 /nfs/dbraw/zinc/53/47/99/678534799.db2.gz YWPRVSDMDJBKRF-QWRGUYRKSA-N 1 1 312.370 -1.208 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001047597520 678534848 /nfs/dbraw/zinc/53/48/48/678534848.db2.gz RWPNOCQCUYDWOL-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047603484 678535321 /nfs/dbraw/zinc/53/53/21/678535321.db2.gz QJZROHYGFYGRKN-IHRRRGAJSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C)c2=O)C1 ZINC001047602447 678535362 /nfs/dbraw/zinc/53/53/62/678535362.db2.gz LPYIWAQDXIFCRW-WXHSDQCUSA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047602945 678535579 /nfs/dbraw/zinc/53/55/79/678535579.db2.gz CCDIWHBAVBLVBL-USZNOCQGSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047602945 678535581 /nfs/dbraw/zinc/53/55/81/678535581.db2.gz CCDIWHBAVBLVBL-USZNOCQGSA-N 1 1 324.381 -1.953 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047612963 678536025 /nfs/dbraw/zinc/53/60/25/678536025.db2.gz UVQBYGDQJHPBCO-IHRRRGAJSA-N 1 1 313.398 -1.259 20 0 DAADMO COCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001047614302 678536515 /nfs/dbraw/zinc/53/65/15/678536515.db2.gz GKSYAKUTUUIWST-STQMWFEESA-N 1 1 312.370 -1.361 20 0 DAADMO CN(C(=O)c1nccnc1C(N)=O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047619449 678536604 /nfs/dbraw/zinc/53/66/04/678536604.db2.gz ORLQUKFIKFHXSX-IUCAKERBSA-N 1 1 309.326 -2.315 20 0 DAADMO CN(C(=O)c1nccnc1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047619449 678536606 /nfs/dbraw/zinc/53/66/06/678536606.db2.gz ORLQUKFIKFHXSX-IUCAKERBSA-N 1 1 309.326 -2.315 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047619061 678537253 /nfs/dbraw/zinc/53/72/53/678537253.db2.gz JANPQYZSBZWODL-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(N)=O)C1 ZINC001047636513 678538464 /nfs/dbraw/zinc/53/84/64/678538464.db2.gz PAQLIMBHIFTJQO-RYUDHWBXSA-N 1 1 322.365 -1.056 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047632740 678538607 /nfs/dbraw/zinc/53/86/07/678538607.db2.gz IOAWOCOOOZXICV-AVGNSLFASA-N 1 1 315.370 -2.271 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047632970 678538892 /nfs/dbraw/zinc/53/88/92/678538892.db2.gz DVYYXIZUMIZPGQ-RWMBFGLXSA-N 1 1 301.387 -1.797 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001047637461 678539436 /nfs/dbraw/zinc/53/94/36/678539436.db2.gz YFEBHJCXNMATTJ-AVGNSLFASA-N 1 1 323.397 -1.355 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047641310 678539584 /nfs/dbraw/zinc/53/95/84/678539584.db2.gz WYWLMCRKXXZTLP-JQWIXIFHSA-N 1 1 312.370 -1.777 20 0 DAADMO CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047649540 678539978 /nfs/dbraw/zinc/53/99/78/678539978.db2.gz FBPNFNPSYHECRW-SRVKXCTJSA-N 1 1 309.366 -1.047 20 0 DAADMO CN(C(=O)Cn1ccnc1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047646839 678540323 /nfs/dbraw/zinc/54/03/23/678540323.db2.gz MGRIYJZVWUAHAN-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO CN(C(=O)Cn1ccnc1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047646839 678540327 /nfs/dbraw/zinc/54/03/27/678540327.db2.gz MGRIYJZVWUAHAN-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001047648525 678540353 /nfs/dbraw/zinc/54/03/53/678540353.db2.gz QAKZQTHMOKJZMH-ICCXJUOJSA-N 1 1 322.365 -1.322 20 0 DAADMO CCOc1cnc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001047650435 678540861 /nfs/dbraw/zinc/54/08/61/678540861.db2.gz VVOMVVAMQLESSF-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO CCOc1cnc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001047650435 678540866 /nfs/dbraw/zinc/54/08/66/678540866.db2.gz VVOMVVAMQLESSF-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001047658798 678540980 /nfs/dbraw/zinc/54/09/80/678540980.db2.gz QJMWDCQKMJRTHF-STQMWFEESA-N 1 1 322.365 -1.056 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001047704748 678541024 /nfs/dbraw/zinc/54/10/24/678541024.db2.gz MOICNYBIVNDOTH-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830641 678541255 /nfs/dbraw/zinc/54/12/55/678541255.db2.gz GEFVTJPXZNESEH-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830640 678541271 /nfs/dbraw/zinc/54/12/71/678541271.db2.gz GEFVTJPXZNESEH-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047825556 678541276 /nfs/dbraw/zinc/54/12/76/678541276.db2.gz LPXAQCLHBZWEEV-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047855095 678541837 /nfs/dbraw/zinc/54/18/37/678541837.db2.gz IHTCVOMKQXTHEE-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952461 678542483 /nfs/dbraw/zinc/54/24/83/678542483.db2.gz ZBSFZDIYKVDSQU-VHSXEESVSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048130545 678546054 /nfs/dbraw/zinc/54/60/54/678546054.db2.gz VFVNHTBMWRZHEP-NXEZZACHSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048282833 678548584 /nfs/dbraw/zinc/54/85/84/678548584.db2.gz FKCIXGJWNFUPGY-VHSXEESVSA-N 1 1 323.401 -1.094 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048257209 678548813 /nfs/dbraw/zinc/54/88/13/678548813.db2.gz WEULOXGUCULRIK-ZJUUUORDSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048460522 678551376 /nfs/dbraw/zinc/55/13/76/678551376.db2.gz MNVMVZJSZWYUMU-QWRGUYRKSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048460520 678551509 /nfs/dbraw/zinc/55/15/09/678551509.db2.gz MNVMVZJSZWYUMU-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 ZINC001048559060 678552269 /nfs/dbraw/zinc/55/22/69/678552269.db2.gz QPXCQZKSPCPEKJ-LMLFDSFASA-N 1 1 309.370 -1.488 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048608407 678554722 /nfs/dbraw/zinc/55/47/22/678554722.db2.gz MHZOMZCGLSNXCT-STQMWFEESA-N 1 1 323.397 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C1 ZINC001048654021 678555044 /nfs/dbraw/zinc/55/50/44/678555044.db2.gz WCXCNKVHTVGWCL-AOOOYVTPSA-N 1 1 305.338 -1.068 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1)N1CCNC(=O)C1 ZINC001048637784 678555072 /nfs/dbraw/zinc/55/50/72/678555072.db2.gz JDTPABFOFVXQMY-BETUJISGSA-N 1 1 320.393 -1.255 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048670246 678555168 /nfs/dbraw/zinc/55/51/68/678555168.db2.gz GZBWVPKZCQLMNE-AXFHLTTASA-N 1 1 305.342 -2.048 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)nn1 ZINC001048671155 678555481 /nfs/dbraw/zinc/55/54/81/678555481.db2.gz PUHYZLHPFYQVJB-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)nn1 ZINC001048671155 678555485 /nfs/dbraw/zinc/55/54/85/678555485.db2.gz PUHYZLHPFYQVJB-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1)NC1CC1 ZINC001048671431 678555699 /nfs/dbraw/zinc/55/56/99/678555699.db2.gz YDLJYFNIXGQSKX-PHIMTYICSA-N 1 1 319.369 -1.658 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048690692 678556103 /nfs/dbraw/zinc/55/61/03/678556103.db2.gz OKWIRGVVZHGNKH-WUHRBBMRSA-N 1 1 311.382 -1.074 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048691042 678556167 /nfs/dbraw/zinc/55/61/67/678556167.db2.gz WCMYBGTVEVDXPB-QNWHQSFQSA-N 1 1 309.366 -1.320 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C1 ZINC001048674664 678556204 /nfs/dbraw/zinc/55/62/04/678556204.db2.gz WNTSNWGXFIUZRA-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cncn3)C[C@H]2C1 ZINC001048681590 678556228 /nfs/dbraw/zinc/55/62/28/678556228.db2.gz GLWIESSMFTYFLU-TXEJJXNPSA-N 1 1 306.370 -1.196 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048724214 678557468 /nfs/dbraw/zinc/55/74/68/678557468.db2.gz WLUAVKGSGHTZHF-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)C1=O ZINC001048723787 678557491 /nfs/dbraw/zinc/55/74/91/678557491.db2.gz PNVGPVSVVPJAKD-YVECIDJPSA-N 1 1 320.393 -1.114 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048733540 678557736 /nfs/dbraw/zinc/55/77/36/678557736.db2.gz HWSKSWPADGUMJK-AEJSXWLSSA-N 1 1 308.338 -1.943 20 0 DAADMO Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)nc1=O ZINC001048733549 678557793 /nfs/dbraw/zinc/55/77/93/678557793.db2.gz ILQBSBNTYUHAJO-DTORHVGOSA-N 1 1 308.342 -2.126 20 0 DAADMO Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)nc1=O ZINC001048733549 678557794 /nfs/dbraw/zinc/55/77/94/678557794.db2.gz ILQBSBNTYUHAJO-DTORHVGOSA-N 1 1 308.342 -2.126 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1)C1CC1 ZINC001048732678 678558040 /nfs/dbraw/zinc/55/80/40/678558040.db2.gz KHODMPHVFOCTTA-PHIMTYICSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C1 ZINC001048730967 678558116 /nfs/dbraw/zinc/55/81/16/678558116.db2.gz DHJUHKQCUJQFHC-LPEHRKFASA-N 1 1 304.354 -1.064 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740312 678558530 /nfs/dbraw/zinc/55/85/30/678558530.db2.gz YSNQEEIGJZNOCE-WUHRBBMRSA-N 1 1 310.398 -1.419 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048762157 678559312 /nfs/dbraw/zinc/55/93/12/678559312.db2.gz CODBZTMVGMJFAT-RVMXOQNASA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048775154 678559471 /nfs/dbraw/zinc/55/94/71/678559471.db2.gz SHQPNQALARBIOV-MELADBBJSA-N 1 1 324.425 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048776254 678559649 /nfs/dbraw/zinc/55/96/49/678559649.db2.gz RMOBRIWCZOBSOL-RQJABVFESA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)n3cncn3)C[C@H]2C1 ZINC001048776090 678559684 /nfs/dbraw/zinc/55/96/84/678559684.db2.gz LLNVLTKAYUHZNX-UTUOFQBUSA-N 1 1 306.370 -1.025 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048776252 678559711 /nfs/dbraw/zinc/55/97/11/678559711.db2.gz RMOBRIWCZOBSOL-CRWXNKLISA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048774685 678559718 /nfs/dbraw/zinc/55/97/18/678559718.db2.gz VVVKUDJIUCBRKI-BETUJISGSA-N 1 1 310.398 -1.545 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762915 678559743 /nfs/dbraw/zinc/55/97/43/678559743.db2.gz PCPZVTFVFRSXCK-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048787584 678560403 /nfs/dbraw/zinc/56/04/03/678560403.db2.gz BNBIMCSLGZBJFD-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048787585 678560621 /nfs/dbraw/zinc/56/06/21/678560621.db2.gz BNBIMCSLGZBJFD-XQQFMLRXSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001048796475 678560794 /nfs/dbraw/zinc/56/07/94/678560794.db2.gz RTZMIGZLCBUWQJ-GRYCIOLGSA-N 1 1 322.365 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794229 678560966 /nfs/dbraw/zinc/56/09/66/678560966.db2.gz SAVIDDMPPGWIKE-CHWFTXMASA-N 1 1 310.354 -1.381 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001048796425 678560993 /nfs/dbraw/zinc/56/09/93/678560993.db2.gz PMZRUPSMGYSFJE-GARJFASQSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796181 678561119 /nfs/dbraw/zinc/56/11/19/678561119.db2.gz GGVSNMXFVGEZEY-VLEAKVRGSA-N 1 1 308.338 -1.627 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnnn3C)C[C@H]2C1 ZINC001048796630 678561332 /nfs/dbraw/zinc/56/13/32/678561332.db2.gz YPSGHGWMGUUABI-PHIMTYICSA-N 1 1 306.370 -1.093 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)o1 ZINC001048822140 678561952 /nfs/dbraw/zinc/56/19/52/678561952.db2.gz RIYWXAGJBOUNIK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)o1 ZINC001048822140 678561954 /nfs/dbraw/zinc/56/19/54/678561954.db2.gz RIYWXAGJBOUNIK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)ncn1 ZINC001048822442 678562144 /nfs/dbraw/zinc/56/21/44/678562144.db2.gz IOPGBJWACZVKCV-AOOOYVTPSA-N 1 1 305.338 -1.026 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)n1 ZINC001048828377 678562342 /nfs/dbraw/zinc/56/23/42/678562342.db2.gz UXMOWYQEETXNDS-AOOOYVTPSA-N 1 1 310.333 -1.263 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)n1 ZINC001048827763 678562355 /nfs/dbraw/zinc/56/23/55/678562355.db2.gz FNHPBXKDFSEELR-PHIMTYICSA-N 1 1 322.369 -1.850 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048823200 678562559 /nfs/dbraw/zinc/56/25/59/678562559.db2.gz XNBKHYURXBGPSI-TUAOUCFPSA-N 1 1 319.369 -1.706 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1)N1CCC1 ZINC001048822181 678562606 /nfs/dbraw/zinc/56/26/06/678562606.db2.gz TYJMYESTHQMHML-TXEJJXNPSA-N 1 1 319.369 -1.704 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1=O ZINC001048848800 678562930 /nfs/dbraw/zinc/56/29/30/678562930.db2.gz UXMJXSJJUPBAAJ-RVMXOQNASA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848938 678563013 /nfs/dbraw/zinc/56/30/13/678563013.db2.gz YQYXSODICAZAST-KXNHARMFSA-N 1 1 308.382 -1.271 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848937 678563206 /nfs/dbraw/zinc/56/32/06/678563206.db2.gz YQYXSODICAZAST-KKOKHZNYSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)nn1 ZINC001048842544 678563285 /nfs/dbraw/zinc/56/32/85/678563285.db2.gz DGGDOCOZNLVDBV-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)nn1 ZINC001048842544 678563288 /nfs/dbraw/zinc/56/32/88/678563288.db2.gz DGGDOCOZNLVDBV-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848853 678563426 /nfs/dbraw/zinc/56/34/26/678563426.db2.gz WFSYIQPORCGGJS-RWMBFGLXSA-N 1 1 322.409 -1.057 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048866110 678564062 /nfs/dbraw/zinc/56/40/62/678564062.db2.gz WGUJFUSQCGLFNE-SDDRHHMPSA-N 1 1 324.381 -1.891 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048868993 678564110 /nfs/dbraw/zinc/56/41/10/678564110.db2.gz RVDJNDKJMDLNRP-AXFHLTTASA-N 1 1 310.354 -1.379 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048863111 678564232 /nfs/dbraw/zinc/56/42/32/678564232.db2.gz ZMHWKQZORLZULV-FIQHERPVSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@H]2C1 ZINC001048865470 678564250 /nfs/dbraw/zinc/56/42/50/678564250.db2.gz FRNUOKRYAGOGIY-AOOOYVTPSA-N 1 1 305.338 -1.235 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C1 ZINC001048878904 678564588 /nfs/dbraw/zinc/56/45/88/678564588.db2.gz CVVZAUORICQKFL-WISYIIOYSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048878382 678564652 /nfs/dbraw/zinc/56/46/52/678564652.db2.gz JNWJFHRHCWHFPN-RNJOBUHISA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048879700 678564873 /nfs/dbraw/zinc/56/48/73/678564873.db2.gz VCWXTOXROWBHAW-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1=O ZINC001048908918 678565411 /nfs/dbraw/zinc/56/54/11/678565411.db2.gz XGGYDPFKOFTQQD-OKILXGFUSA-N 1 1 324.425 -1.467 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048906147 678565427 /nfs/dbraw/zinc/56/54/27/678565427.db2.gz JPZKXGKMCDRPPM-MXWKQRLJSA-N 1 1 322.369 -2.154 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048908310 678565548 /nfs/dbraw/zinc/56/55/48/678565548.db2.gz QGJFXOLUTJRUHV-MELADBBJSA-N 1 1 324.425 -1.469 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1=O ZINC001048906589 678565553 /nfs/dbraw/zinc/56/55/53/678565553.db2.gz OIGMXFOURMRBTJ-AOOOYVTPSA-N 1 1 308.342 -2.543 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048907109 678565599 /nfs/dbraw/zinc/56/55/99/678565599.db2.gz VDCDOYAMFAMKSQ-UTUOFQBUSA-N 1 1 309.370 -1.647 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048903314 678565649 /nfs/dbraw/zinc/56/56/49/678565649.db2.gz JMJGBPLLCJSNSM-TXEJJXNPSA-N 1 1 302.396 -1.196 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048906044 678565807 /nfs/dbraw/zinc/56/58/07/678565807.db2.gz HHTNVHRIZTZXGR-TXEJJXNPSA-N 1 1 309.370 -1.382 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCCC3=O)C[C@H]2C1 ZINC001048916470 678566188 /nfs/dbraw/zinc/56/61/88/678566188.db2.gz XWGNRHZOHRQCDT-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048922745 678566221 /nfs/dbraw/zinc/56/62/21/678566221.db2.gz GGYAZWFZIATHAD-AOOOYVTPSA-N 1 1 321.337 -2.176 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC001048943444 678566375 /nfs/dbraw/zinc/56/63/75/678566375.db2.gz DIFAISGLOZCAFS-MXWKQRLJSA-N 1 1 319.365 -1.342 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048924068 678566395 /nfs/dbraw/zinc/56/63/95/678566395.db2.gz OHCIBEULZUYGAM-UTUOFQBUSA-N 1 1 302.396 -1.196 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)o3)C[C@H]2C1 ZINC001048928125 678566405 /nfs/dbraw/zinc/56/64/05/678566405.db2.gz VCAQJGUZHPHVLE-DTORHVGOSA-N 1 1 306.322 -1.132 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048913295 678566487 /nfs/dbraw/zinc/56/64/87/678566487.db2.gz ZAROJAPUICXAED-NDBYEHHHSA-N 1 1 320.393 -1.209 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048913579 678566662 /nfs/dbraw/zinc/56/66/62/678566662.db2.gz JCPZYROXOZHYLF-AOOOYVTPSA-N 1 1 313.383 -1.147 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001048913579 678566664 /nfs/dbraw/zinc/56/66/64/678566664.db2.gz JCPZYROXOZHYLF-AOOOYVTPSA-N 1 1 313.383 -1.147 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)c1=O ZINC001048958328 678566885 /nfs/dbraw/zinc/56/68/85/678566885.db2.gz QQGYOTPVQNMTNU-BETUJISGSA-N 1 1 323.397 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048955352 678567009 /nfs/dbraw/zinc/56/70/09/678567009.db2.gz CNDWRMNGIIUKKA-KIGUWFBYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CNC(=O)C1 ZINC001048955602 678567147 /nfs/dbraw/zinc/56/71/47/678567147.db2.gz JNIBVVHTAUDFLA-JBBSTSQOSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CNC(=O)C1 ZINC001048955601 678567198 /nfs/dbraw/zinc/56/71/98/678567198.db2.gz JNIBVVHTAUDFLA-BUWBCJGYSA-N 1 1 320.393 -1.209 20 0 DAADMO CO[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@@H]1CCOC1 ZINC001048960124 678567311 /nfs/dbraw/zinc/56/73/11/678567311.db2.gz SOMGNNYPRWLQKE-NRWUCQMLSA-N 1 1 311.382 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048955354 678567360 /nfs/dbraw/zinc/56/73/60/678567360.db2.gz CNDWRMNGIIUKKA-YYHMBLRTSA-N 1 1 308.382 -1.223 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977421 678567627 /nfs/dbraw/zinc/56/76/27/678567627.db2.gz CDTAHCTZTNTHGN-BETUJISGSA-N 1 1 310.398 -1.545 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048977589 678567677 /nfs/dbraw/zinc/56/76/77/678567677.db2.gz FDSUZWWFPLOETJ-BETUJISGSA-N 1 1 310.398 -1.809 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)c1=O ZINC001048975528 678567722 /nfs/dbraw/zinc/56/77/22/678567722.db2.gz QEFAFHYMYGWTET-PHIMTYICSA-N 1 1 322.365 -1.128 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001048973346 678567825 /nfs/dbraw/zinc/56/78/25/678567825.db2.gz SAWPMXBKGKJNHY-QWRGUYRKSA-N 1 1 314.386 -1.768 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048977670 678567850 /nfs/dbraw/zinc/56/78/50/678567850.db2.gz IAAGICXEHLPQIO-KXNHARMFSA-N 1 1 306.366 -1.599 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)n1 ZINC001048977586 678567991 /nfs/dbraw/zinc/56/79/91/678567991.db2.gz FAMCMCOXLQNJQS-NTZNESFSSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)n1 ZINC001048977586 678567996 /nfs/dbraw/zinc/56/79/96/678567996.db2.gz FAMCMCOXLQNJQS-NTZNESFSSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)nn1 ZINC001048977912 678568278 /nfs/dbraw/zinc/56/82/78/678568278.db2.gz PTVATOMRBLGTTD-NTZNESFSSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)nn1 ZINC001048977912 678568282 /nfs/dbraw/zinc/56/82/82/678568282.db2.gz PTVATOMRBLGTTD-NTZNESFSSA-N 1 1 318.381 -1.159 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)C1=O ZINC001048981775 678568404 /nfs/dbraw/zinc/56/84/04/678568404.db2.gz YGGONHGJPPCKGX-RNJOBUHISA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048981122 678568597 /nfs/dbraw/zinc/56/85/97/678568597.db2.gz SCDMQZXEOZPZCD-WUHRBBMRSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)n3C)C[C@H]2C1 ZINC001048978492 678568672 /nfs/dbraw/zinc/56/86/72/678568672.db2.gz GBASZLJFYFQNDL-AOOOYVTPSA-N 1 1 307.354 -1.125 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048977745 678568680 /nfs/dbraw/zinc/56/86/80/678568680.db2.gz KNYMWTOJKDUCED-TUAOUCFPSA-N 1 1 308.382 -1.399 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977736 678568778 /nfs/dbraw/zinc/56/87/78/678568778.db2.gz KCTVKYOPISNRKY-SDDRHHMPSA-N 1 1 323.397 -2.318 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1=O ZINC001048992977 678569605 /nfs/dbraw/zinc/56/96/05/678569605.db2.gz UDOIBZASWYQPRR-RNJOBUHISA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)n1 ZINC001048990971 678569628 /nfs/dbraw/zinc/56/96/28/678569628.db2.gz DXHMCIQHLJAGIH-AXFHLTTASA-N 1 1 319.369 -1.555 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048991377 678569774 /nfs/dbraw/zinc/56/97/74/678569774.db2.gz SVRYKRXZOCGMBE-AEJSXWLSSA-N 1 1 305.342 -1.898 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018835 678570229 /nfs/dbraw/zinc/57/02/29/678570229.db2.gz LIEQYVYBNCUANN-UMNHJUIQSA-N 1 1 319.369 -1.613 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018835 678570233 /nfs/dbraw/zinc/57/02/33/678570233.db2.gz LIEQYVYBNCUANN-UMNHJUIQSA-N 1 1 319.369 -1.613 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049015933 678570420 /nfs/dbraw/zinc/57/04/20/678570420.db2.gz ZVAGIIBUEIYAPG-JFGNBEQYSA-N 1 1 317.349 -1.338 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)o1 ZINC001049019037 678570427 /nfs/dbraw/zinc/57/04/27/678570427.db2.gz NZRDEPJOIGGPEF-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)o1 ZINC001049019037 678570431 /nfs/dbraw/zinc/57/04/31/678570431.db2.gz NZRDEPJOIGGPEF-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019000 678570445 /nfs/dbraw/zinc/57/04/45/678570445.db2.gz NLOXJEAXOYQMFI-ZRUFSTJUSA-N 1 1 309.370 -1.678 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)C1=O ZINC001049019682 678570529 /nfs/dbraw/zinc/57/05/29/678570529.db2.gz UYCCHLSFROCZNH-WHOHXGKFSA-N 1 1 321.381 -1.711 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019659 678570583 /nfs/dbraw/zinc/57/05/83/678570583.db2.gz UQKDDGSKLBFOCY-WISYIIOYSA-N 1 1 323.397 -1.465 20 0 DAADMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018195 678570606 /nfs/dbraw/zinc/57/06/06/678570606.db2.gz BDAWRADMRXFQRU-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018195 678570610 /nfs/dbraw/zinc/57/06/10/678570610.db2.gz BDAWRADMRXFQRU-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO NC(=O)Cc1occc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049009879 678570618 /nfs/dbraw/zinc/57/06/18/678570618.db2.gz HOMIUDPPJQCXPU-AOOOYVTPSA-N 1 1 320.349 -1.204 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)CC1 ZINC001049022808 678571636 /nfs/dbraw/zinc/57/16/36/678571636.db2.gz SKOBVGBMOKGSTC-PHIMTYICSA-N 1 1 320.393 -1.079 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)CC1 ZINC001049022013 678571732 /nfs/dbraw/zinc/57/17/32/678571732.db2.gz HSFJNZIWSAWEEQ-TXEJJXNPSA-N 1 1 318.381 -1.066 20 0 DAADMO COc1nccc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049021292 678571788 /nfs/dbraw/zinc/57/17/88/678571788.db2.gz SKKWWIWWKAZCBW-AOOOYVTPSA-N 1 1 305.338 -1.139 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)n1 ZINC001049022249 678571811 /nfs/dbraw/zinc/57/18/11/678571811.db2.gz KVLPIBFMUKJQNF-PHIMTYICSA-N 1 1 318.381 -1.029 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)n1 ZINC001049022249 678571814 /nfs/dbraw/zinc/57/18/14/678571814.db2.gz KVLPIBFMUKJQNF-PHIMTYICSA-N 1 1 318.381 -1.029 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049024749 678572046 /nfs/dbraw/zinc/57/20/46/678572046.db2.gz ZNHPCZRPKSSTOR-GRYCIOLGSA-N 1 1 307.354 -1.881 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049053326 678572275 /nfs/dbraw/zinc/57/22/75/678572275.db2.gz AJYPOHLOVBPRSO-WHOHXGKFSA-N 1 1 324.381 -1.845 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049061234 678572721 /nfs/dbraw/zinc/57/27/21/678572721.db2.gz RLDGSDHBNUKAPW-KXNHARMFSA-N 1 1 308.382 -1.414 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)n1 ZINC001049060387 678573038 /nfs/dbraw/zinc/57/30/38/678573038.db2.gz BCGSJKGOIRGPIV-DNIRFERGSA-N 1 1 318.381 -1.173 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)n1 ZINC001049060387 678573041 /nfs/dbraw/zinc/57/30/41/678573041.db2.gz BCGSJKGOIRGPIV-DNIRFERGSA-N 1 1 318.381 -1.173 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CCNC1=O ZINC001049056753 678573052 /nfs/dbraw/zinc/57/30/52/678573052.db2.gz YBIDHLSYMIPZML-JBBSTSQOSA-N 1 1 320.393 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049055692 678573105 /nfs/dbraw/zinc/57/31/05/678573105.db2.gz HTYWZFSLRNMOET-BFQNTYOBSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@@H]1CCC(=O)N1 ZINC001049073331 678573390 /nfs/dbraw/zinc/57/33/90/678573390.db2.gz LGNZJWFSNSFDMQ-WYUUTHIRSA-N 1 1 308.382 -1.223 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062542 678573627 /nfs/dbraw/zinc/57/36/27/678573627.db2.gz AQDMKTRYJYOMOI-LVEVGFFFSA-N 1 1 308.382 -1.238 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001049115001 678574009 /nfs/dbraw/zinc/57/40/09/678574009.db2.gz BLUOUBGWXGUQST-GARJFASQSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049114149 678574198 /nfs/dbraw/zinc/57/41/98/678574198.db2.gz KXAPOSPVLSYCQB-TXEJJXNPSA-N 1 1 309.366 -1.188 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049112130 678574253 /nfs/dbraw/zinc/57/42/53/678574253.db2.gz FMQNMTRHDRTYCZ-QNWHQSFQSA-N 1 1 320.393 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118411 678574295 /nfs/dbraw/zinc/57/42/95/678574295.db2.gz VBUUSUBTIXKXLQ-PHIMTYICSA-N 1 1 310.354 -1.425 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2C1 ZINC001049116715 678574304 /nfs/dbraw/zinc/57/43/04/678574304.db2.gz ZAIVYZLULNLOTA-OKILXGFUSA-N 1 1 324.425 -1.155 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]2C1 ZINC001049116714 678574362 /nfs/dbraw/zinc/57/43/62/678574362.db2.gz YZYGXMBPNBVAMO-BETUJISGSA-N 1 1 310.398 -1.416 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049112279 678574490 /nfs/dbraw/zinc/57/44/90/678574490.db2.gz IWINAGDNPJZPTF-NNYUYHANSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)N1CCOCC1 ZINC001049116684 678574548 /nfs/dbraw/zinc/57/45/48/678574548.db2.gz XPYNIJTYPDWRCE-BETUJISGSA-N 1 1 324.425 -1.027 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049128843 678574843 /nfs/dbraw/zinc/57/48/43/678574843.db2.gz LKZWNGSXSGVVDQ-GRYCIOLGSA-N 1 1 319.369 -1.658 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049150333 678575222 /nfs/dbraw/zinc/57/52/22/678575222.db2.gz UQXMJIRQOPBGEY-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049162967 678575674 /nfs/dbraw/zinc/57/56/74/678575674.db2.gz KSMBPXIIJYRTTK-GARJFASQSA-N 1 1 306.370 -1.128 20 0 DAADMO COc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC001049157246 678575750 /nfs/dbraw/zinc/57/57/50/678575750.db2.gz SSNKLCHTGOKZOE-AOOOYVTPSA-N 1 1 305.338 -1.026 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC001049170011 678576366 /nfs/dbraw/zinc/57/63/66/678576366.db2.gz ZIVWZTKHFHPUBK-SDDRHHMPSA-N 1 1 324.381 -1.349 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049180209 678576456 /nfs/dbraw/zinc/57/64/56/678576456.db2.gz QPDDNHDRUBWVGK-WHOHXGKFSA-N 1 1 306.366 -1.456 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)C1=O ZINC001049179109 678576484 /nfs/dbraw/zinc/57/64/84/678576484.db2.gz PNVGPVSVVPJAKD-QNWHQSFQSA-N 1 1 320.393 -1.114 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3C2)c(=O)n1C ZINC001049196834 678577296 /nfs/dbraw/zinc/57/72/96/678577296.db2.gz BFGUCPDTPVUBTG-WCFLWFBJSA-N 1 1 323.397 -1.339 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1)NC1CC1 ZINC001049203387 678577353 /nfs/dbraw/zinc/57/73/53/678577353.db2.gz AECAMMAJFCRHNW-TXEJJXNPSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC001049202750 678577405 /nfs/dbraw/zinc/57/74/05/678577405.db2.gz AUSXFAVHNXKIBA-GARJFASQSA-N 1 1 319.365 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049205209 678577684 /nfs/dbraw/zinc/57/76/84/678577684.db2.gz YLHMVJCEKFVWJB-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049207049 678577741 /nfs/dbraw/zinc/57/77/41/678577741.db2.gz QSIJBXVGAZMZLK-GARJFASQSA-N 1 1 319.365 -1.040 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)C1=O ZINC001049205157 678577778 /nfs/dbraw/zinc/57/77/78/678577778.db2.gz XCVAAFPBLHXKQL-XQQFMLRXSA-N 1 1 318.381 -1.101 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049205196 678577858 /nfs/dbraw/zinc/57/78/58/678577858.db2.gz YASQJYIQIDCXGX-TXEJJXNPSA-N 1 1 306.370 -1.244 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049206116 678577915 /nfs/dbraw/zinc/57/79/15/678577915.db2.gz RXSCZWKYAHQVBT-MXWKQRLJSA-N 1 1 310.354 -1.691 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049206934 678578011 /nfs/dbraw/zinc/57/80/11/678578011.db2.gz MLZRZKUVIRWQGQ-DTORHVGOSA-N 1 1 318.337 -1.935 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049206937 678578047 /nfs/dbraw/zinc/57/80/47/678578047.db2.gz MPSCLCYNOJGSIK-AOOOYVTPSA-N 1 1 305.338 -1.428 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049207083 678578141 /nfs/dbraw/zinc/57/81/41/678578141.db2.gz SFOARRNBVCKNEA-PHIMTYICSA-N 1 1 319.365 -1.038 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC001049204961 678578223 /nfs/dbraw/zinc/57/82/23/678578223.db2.gz ANCPUWVNGBSVSP-SDDRHHMPSA-N 1 1 324.381 -1.349 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206808 678578268 /nfs/dbraw/zinc/57/82/68/678578268.db2.gz HZQSYZNFIZBLTH-YFKTTZPYSA-N 1 1 324.381 -1.254 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N(C)C3)C[C@H]2C1 ZINC001049234764 678578463 /nfs/dbraw/zinc/57/84/63/678578463.db2.gz NRYWGXXLSXSNNO-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049220409 678578813 /nfs/dbraw/zinc/57/88/13/678578813.db2.gz MMSZMBXMKUHARR-GRYCIOLGSA-N 1 1 317.411 -1.549 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)nn1 ZINC001049234017 678579091 /nfs/dbraw/zinc/57/90/91/678579091.db2.gz VKVGVQFFIOSPFM-PHIMTYICSA-N 1 1 322.369 -1.850 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]2C1 ZINC001049255550 678579358 /nfs/dbraw/zinc/57/93/58/678579358.db2.gz CTTJNSPZGQZWBV-PHIMTYICSA-N 1 1 317.349 -1.330 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)N3CCOCC3)C[C@H]2C1 ZINC001049252416 678579682 /nfs/dbraw/zinc/57/96/82/678579682.db2.gz BVMKOKLDYJKDAX-MELADBBJSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC001049242236 678579735 /nfs/dbraw/zinc/57/97/35/678579735.db2.gz NJHHCARFJDDLNN-MXWKQRLJSA-N 1 1 321.381 -1.399 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049365913 678580469 /nfs/dbraw/zinc/58/04/69/678580469.db2.gz KSZSGEDDLVOSNL-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001049434570 678582241 /nfs/dbraw/zinc/58/22/41/678582241.db2.gz CUKVLOQVTMHVQS-QWRGUYRKSA-N 1 1 324.385 -1.671 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049427493 678582538 /nfs/dbraw/zinc/58/25/38/678582538.db2.gz GWNOIYLSGUMMQO-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049427493 678582540 /nfs/dbraw/zinc/58/25/40/678582540.db2.gz GWNOIYLSGUMMQO-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049427498 678582578 /nfs/dbraw/zinc/58/25/78/678582578.db2.gz GWNOIYLSGUMMQO-RWMBFGLXSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049427498 678582583 /nfs/dbraw/zinc/58/25/83/678582583.db2.gz GWNOIYLSGUMMQO-RWMBFGLXSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527879 678582927 /nfs/dbraw/zinc/58/29/27/678582927.db2.gz WGTQUZLMYFRPKZ-GUBZILKMSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527879 678582930 /nfs/dbraw/zinc/58/29/30/678582930.db2.gz WGTQUZLMYFRPKZ-GUBZILKMSA-N 1 1 323.353 -1.865 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049519890 678583182 /nfs/dbraw/zinc/58/31/82/678583182.db2.gz ANVMURNIQCVDCD-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049468808 678583199 /nfs/dbraw/zinc/58/31/99/678583199.db2.gz JBFYSJSOUDGMSU-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049547905 678583210 /nfs/dbraw/zinc/58/32/10/678583210.db2.gz GJWOJMKOJSBROG-UWVGGRQHSA-N 1 1 300.359 -2.156 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521235 678583249 /nfs/dbraw/zinc/58/32/49/678583249.db2.gz HFIFZBVJXWIONQ-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521235 678583253 /nfs/dbraw/zinc/58/32/53/678583253.db2.gz HFIFZBVJXWIONQ-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)CC1=O ZINC001049559427 678583640 /nfs/dbraw/zinc/58/36/40/678583640.db2.gz WRBCQEPSMOUQGC-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049593728 678583812 /nfs/dbraw/zinc/58/38/12/678583812.db2.gz FQBAEGDBGQQWMJ-QWRGUYRKSA-N 1 1 324.385 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCNC1=O ZINC001049636742 678584321 /nfs/dbraw/zinc/58/43/21/678584321.db2.gz UVDLENYYYWGBAU-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCNC1=O ZINC001049636742 678584323 /nfs/dbraw/zinc/58/43/23/678584323.db2.gz UVDLENYYYWGBAU-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)NC1=O ZINC001049637765 678584384 /nfs/dbraw/zinc/58/43/84/678584384.db2.gz YYBKUWLRBZOFOX-MXWKQRLJSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)NC1=O ZINC001049637765 678584386 /nfs/dbraw/zinc/58/43/86/678584386.db2.gz YYBKUWLRBZOFOX-MXWKQRLJSA-N 1 1 309.370 -1.439 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049639984 678584410 /nfs/dbraw/zinc/58/44/10/678584410.db2.gz SPLFMNUDQLCQET-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640814 678584507 /nfs/dbraw/zinc/58/45/07/678584507.db2.gz XCMAVHXYOUXJBN-IHRRRGAJSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640807 678584516 /nfs/dbraw/zinc/58/45/16/678584516.db2.gz XCMAVHXYOUXJBN-BFHYXJOUSA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCNC1=O ZINC001049636739 678584519 /nfs/dbraw/zinc/58/45/19/678584519.db2.gz UVDLENYYYWGBAU-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCNC1=O ZINC001049636739 678584520 /nfs/dbraw/zinc/58/45/20/678584520.db2.gz UVDLENYYYWGBAU-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049638885 678584544 /nfs/dbraw/zinc/58/45/44/678584544.db2.gz MZICFYRBQRVNRP-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720001 678584886 /nfs/dbraw/zinc/58/48/86/678584886.db2.gz QHCZSZPSUPQNAE-NOOOWODRSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720001 678584888 /nfs/dbraw/zinc/58/48/88/678584888.db2.gz QHCZSZPSUPQNAE-NOOOWODRSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049683647 678584978 /nfs/dbraw/zinc/58/49/78/678584978.db2.gz PRENYMWXLPBREH-MNOVXSKESA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049683648 678585014 /nfs/dbraw/zinc/58/50/14/678585014.db2.gz PRENYMWXLPBREH-QWRGUYRKSA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756206 678585221 /nfs/dbraw/zinc/58/52/21/678585221.db2.gz UMHSACFTWKNCHY-GUBZILKMSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756206 678585224 /nfs/dbraw/zinc/58/52/24/678585224.db2.gz UMHSACFTWKNCHY-GUBZILKMSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674455 678585289 /nfs/dbraw/zinc/58/52/89/678585289.db2.gz DCNYEDUEAHCGBQ-QWRGUYRKSA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674455 678585294 /nfs/dbraw/zinc/58/52/94/678585294.db2.gz DCNYEDUEAHCGBQ-QWRGUYRKSA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049682038 678585381 /nfs/dbraw/zinc/58/53/81/678585381.db2.gz CPULWGWBAPZHMH-VHSXEESVSA-N 1 1 323.353 -1.911 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049754906 678585422 /nfs/dbraw/zinc/58/54/22/678585422.db2.gz OQVBNHMQANAFIB-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049807931 678585661 /nfs/dbraw/zinc/58/56/61/678585661.db2.gz VFZIJILXXAJTPY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049836301 678585684 /nfs/dbraw/zinc/58/56/84/678585684.db2.gz VTGSIGPNNFXOIA-RYUDHWBXSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049789720 678585788 /nfs/dbraw/zinc/58/57/88/678585788.db2.gz FJBRRSHNBVJJPG-VXGBXAGGSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049836300 678585801 /nfs/dbraw/zinc/58/58/01/678585801.db2.gz VTGSIGPNNFXOIA-NWDGAFQWSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)C1=O ZINC001049842148 678585891 /nfs/dbraw/zinc/58/58/91/678585891.db2.gz VNYYEZAJFWGJGR-NWDGAFQWSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049807934 678585901 /nfs/dbraw/zinc/58/59/01/678585901.db2.gz VFZIJILXXAJTPY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790047 678586113 /nfs/dbraw/zinc/58/61/13/678586113.db2.gz JSSCVWSPDKVVQO-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790047 678586115 /nfs/dbraw/zinc/58/61/15/678586115.db2.gz JSSCVWSPDKVVQO-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)nn1 ZINC001049909727 678586358 /nfs/dbraw/zinc/58/63/58/678586358.db2.gz BZICWEUPARKCSS-VXGBXAGGSA-N 1 1 322.369 -1.565 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049884695 678586514 /nfs/dbraw/zinc/58/65/14/678586514.db2.gz KZKPCGXVFPYLNL-TUAOUCFPSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049901269 678586568 /nfs/dbraw/zinc/58/65/68/678586568.db2.gz YCLQNEZFKRULCP-SRVKXCTJSA-N 1 1 317.411 -1.264 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890621 678586623 /nfs/dbraw/zinc/58/66/23/678586623.db2.gz XENWDPGDTCMTJN-GHMZBOCLSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890621 678586627 /nfs/dbraw/zinc/58/66/27/678586627.db2.gz XENWDPGDTCMTJN-GHMZBOCLSA-N 1 1 322.365 -1.314 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049880619 678586649 /nfs/dbraw/zinc/58/66/49/678586649.db2.gz BVKZVMNNXWWUET-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049901268 678586702 /nfs/dbraw/zinc/58/67/02/678586702.db2.gz YCLQNEZFKRULCP-SDDRHHMPSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001049968681 678587120 /nfs/dbraw/zinc/58/71/20/678587120.db2.gz WMRALPORDLQOLG-QJPTWQEYSA-N 1 1 319.369 -1.516 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049933817 678587173 /nfs/dbraw/zinc/58/71/73/678587173.db2.gz NDOMESCMIOSZAZ-HBNTYKKESA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049933817 678587176 /nfs/dbraw/zinc/58/71/76/678587176.db2.gz NDOMESCMIOSZAZ-HBNTYKKESA-N 1 1 322.365 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049967650 678587272 /nfs/dbraw/zinc/58/72/72/678587272.db2.gz JQTZSFPHUGKMHG-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049970210 678587377 /nfs/dbraw/zinc/58/73/77/678587377.db2.gz YECKMTNHBOFNAR-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO CC(=O)N1CCC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001049942563 678587417 /nfs/dbraw/zinc/58/74/17/678587417.db2.gz PGADZVUOKGJVIS-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001049942563 678587418 /nfs/dbraw/zinc/58/74/18/678587418.db2.gz PGADZVUOKGJVIS-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001052671307 678588506 /nfs/dbraw/zinc/58/85/06/678588506.db2.gz MZINFJIOSWCGIG-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001052671877 678588947 /nfs/dbraw/zinc/58/89/47/678588947.db2.gz QRYZORQCNXJRRU-CMPLNLGQSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001052671880 678589128 /nfs/dbraw/zinc/58/91/28/678589128.db2.gz QRYZORQCNXJRRU-JQWIXIFHSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001052671883 678589326 /nfs/dbraw/zinc/58/93/26/678589326.db2.gz QRYZORQCNXJRRU-PWSUYJOCSA-N 1 1 323.397 -1.083 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)c(=O)n(C)c1=O ZINC001052761061 678589382 /nfs/dbraw/zinc/58/93/82/678589382.db2.gz LSPDLXXPKHHVCN-NSHDSACASA-N 1 1 324.381 -1.339 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC001052785010 678589759 /nfs/dbraw/zinc/58/97/59/678589759.db2.gz BALSXSTUISJNKD-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798721 678589998 /nfs/dbraw/zinc/58/99/98/678589998.db2.gz WDOAUUJTSRMCNJ-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052918782 678591000 /nfs/dbraw/zinc/59/10/00/678591000.db2.gz DFEIFZYGMYBCII-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921178 678591193 /nfs/dbraw/zinc/59/11/93/678591193.db2.gz HCIPMWMZNNRAIK-VIFPVBQESA-N 1 1 320.353 -1.355 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nccnc2C(N)=O)CC1 ZINC001052921178 678591196 /nfs/dbraw/zinc/59/11/96/678591196.db2.gz HCIPMWMZNNRAIK-VIFPVBQESA-N 1 1 320.353 -1.355 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052923180 678591206 /nfs/dbraw/zinc/59/12/06/678591206.db2.gz WTJYSQCBYARVGZ-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1=O ZINC001052920971 678591332 /nfs/dbraw/zinc/59/13/32/678591332.db2.gz GGHWZYZOHJEINW-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001052946520 678592085 /nfs/dbraw/zinc/59/20/85/678592085.db2.gz VCTYTURGSIXHSP-GHMZBOCLSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H](O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202948 678595695 /nfs/dbraw/zinc/59/56/95/678595695.db2.gz NABUYFQSFUGRSY-CHWSQXEVSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@@H](O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202948 678595698 /nfs/dbraw/zinc/59/56/98/678595698.db2.gz NABUYFQSFUGRSY-CHWSQXEVSA-N 1 1 313.398 -1.389 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CCCO)C3)C2)C1 ZINC001053202508 678595838 /nfs/dbraw/zinc/59/58/38/678595838.db2.gz VPJWYKQTHGCXKQ-CYBMUJFWSA-N 1 1 313.398 -1.387 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCOC3(CN(CCCO)C3)C2)C1 ZINC001053202508 678595843 /nfs/dbraw/zinc/59/58/43/678595843.db2.gz VPJWYKQTHGCXKQ-CYBMUJFWSA-N 1 1 313.398 -1.387 20 0 DAADMO C[C@@H](O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202949 678595851 /nfs/dbraw/zinc/59/58/51/678595851.db2.gz NABUYFQSFUGRSY-OLZOCXBDSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@@H](O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202949 678595855 /nfs/dbraw/zinc/59/58/55/678595855.db2.gz NABUYFQSFUGRSY-OLZOCXBDSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)CC[N@H+]1C ZINC001053260929 678597604 /nfs/dbraw/zinc/59/76/04/678597604.db2.gz NKLALWFOQVIYJY-VXGBXAGGSA-N 1 1 310.398 -1.275 20 0 DAADMO Cn1cnn(CC(=O)N2CCOC3(C[NH+](CC4CC4)C3)C2)c1=O ZINC001053321110 678600570 /nfs/dbraw/zinc/60/05/70/678600570.db2.gz VUPSEYYQJMJUEL-UHFFFAOYSA-N 1 1 321.381 -1.095 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001053318002 678600582 /nfs/dbraw/zinc/60/05/82/678600582.db2.gz SKOBUNZQNCLAFM-ONGXEEELSA-N 1 1 307.354 -1.112 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429554 678604373 /nfs/dbraw/zinc/60/43/73/678604373.db2.gz SJSYIEFPSKOEBJ-QWHCGFSZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053428971 678604489 /nfs/dbraw/zinc/60/44/89/678604489.db2.gz BKUXJDCWDXTRSC-LBPRGKRZSA-N 1 1 310.398 -1.131 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053428527 678604506 /nfs/dbraw/zinc/60/45/06/678604506.db2.gz QRHNOKIVKGXAEN-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053429820 678604681 /nfs/dbraw/zinc/60/46/81/678604681.db2.gz YRYDYZGDMJMIRF-NWDGAFQWSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)[C@@H](C)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530587 678607910 /nfs/dbraw/zinc/60/79/10/678607910.db2.gz BTIWKBAJECMVRK-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@H](C)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530590 678607921 /nfs/dbraw/zinc/60/79/21/678607921.db2.gz BTIWKBAJECMVRK-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CN([C@@H]4CCNC4=O)C3)C2)C1 ZINC001053531318 678607958 /nfs/dbraw/zinc/60/79/58/678607958.db2.gz OJKFCMWBENIXHT-CHWSQXEVSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001053532592 678608015 /nfs/dbraw/zinc/60/80/15/678608015.db2.gz RFPHPFWQKKXBOO-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO C[C@@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530842 678608034 /nfs/dbraw/zinc/60/80/34/678608034.db2.gz HWOWXYSXQXNWBF-RYUDHWBXSA-N 1 1 310.398 -1.275 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CCC(=O)N1 ZINC001053582629 678608933 /nfs/dbraw/zinc/60/89/33/678608933.db2.gz JEXOUABQKPXABS-NWDGAFQWSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CCNC1=O ZINC001053643046 678610081 /nfs/dbraw/zinc/61/00/81/678610081.db2.gz SSPAEHKKVCDIFX-NEPJUHHUSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1COC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053733034 678611951 /nfs/dbraw/zinc/61/19/51/678611951.db2.gz LDUNAOJGHBMVRN-VXGBXAGGSA-N 1 1 322.369 -1.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1COC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053733031 678611983 /nfs/dbraw/zinc/61/19/83/678611983.db2.gz LDUNAOJGHBMVRN-NEPJUHHUSA-N 1 1 322.369 -1.331 20 0 DAADMO COCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CO2 ZINC001053765999 678612961 /nfs/dbraw/zinc/61/29/61/678612961.db2.gz CBLFVNXJTIGBKC-QWHCGFSZSA-N 1 1 313.398 -1.077 20 0 DAADMO COCCN1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CO2 ZINC001053765999 678612965 /nfs/dbraw/zinc/61/29/65/678612965.db2.gz CBLFVNXJTIGBKC-QWHCGFSZSA-N 1 1 313.398 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766878 678613448 /nfs/dbraw/zinc/61/34/48/678613448.db2.gz XMRKJZFSNFDWRE-WDEREUQCSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766878 678613450 /nfs/dbraw/zinc/61/34/50/678613450.db2.gz XMRKJZFSNFDWRE-WDEREUQCSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766877 678613603 /nfs/dbraw/zinc/61/36/03/678613603.db2.gz XMRKJZFSNFDWRE-QWRGUYRKSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766877 678613606 /nfs/dbraw/zinc/61/36/06/678613606.db2.gz XMRKJZFSNFDWRE-QWRGUYRKSA-N 1 1 312.370 -2.238 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1COC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053803333 678615728 /nfs/dbraw/zinc/61/57/28/678615728.db2.gz PXOYYCIBRYNYPK-NWDGAFQWSA-N 1 1 322.369 -1.331 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)CO2 ZINC001053805315 678615953 /nfs/dbraw/zinc/61/59/53/678615953.db2.gz ORGQZCDQTPKAOI-JTQLQIEISA-N 1 1 322.369 -1.255 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053846388 678617497 /nfs/dbraw/zinc/61/74/97/678617497.db2.gz DGLMAZSPXGJJLN-NWDGAFQWSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)O1 ZINC001053844396 678617531 /nfs/dbraw/zinc/61/75/31/678617531.db2.gz HYWKCOKQLKXXGJ-FRRDWIJNSA-N 1 1 313.398 -1.343 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)O1 ZINC001053844396 678617533 /nfs/dbraw/zinc/61/75/33/678617533.db2.gz HYWKCOKQLKXXGJ-FRRDWIJNSA-N 1 1 313.398 -1.343 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053846387 678617592 /nfs/dbraw/zinc/61/75/92/678617592.db2.gz DGLMAZSPXGJJLN-NEPJUHHUSA-N 1 1 310.398 -1.085 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2COC3(C[NH+](CC4CC4)C3)C2)c1=O ZINC001053852202 678618233 /nfs/dbraw/zinc/61/82/33/678618233.db2.gz IICXDOMTOYRNFV-GFCCVEGCSA-N 1 1 321.381 -1.049 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001053896757 678621109 /nfs/dbraw/zinc/62/11/09/678621109.db2.gz CZNTWVTYLSIIMH-QWRGUYRKSA-N 1 1 322.369 -1.180 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053925183 678623478 /nfs/dbraw/zinc/62/34/78/678623478.db2.gz BGARJGVCNOTBRN-NWDGAFQWSA-N 1 1 310.398 -1.085 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007959 678627473 /nfs/dbraw/zinc/62/74/73/678627473.db2.gz PKFZDBXDDWXBGE-NEPJUHHUSA-N 1 1 310.398 -1.356 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O ZINC001054188610 678629099 /nfs/dbraw/zinc/62/90/99/678629099.db2.gz PGQNLLPGPHTSKN-CQSZACIVSA-N 1 1 322.369 -1.592 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C(N)=O)C3)nc1=O ZINC001054188610 678629102 /nfs/dbraw/zinc/62/91/02/678629102.db2.gz PGQNLLPGPHTSKN-CQSZACIVSA-N 1 1 322.369 -1.592 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nnn(C)n1)C2 ZINC001054176646 678629155 /nfs/dbraw/zinc/62/91/55/678629155.db2.gz JEXAODUUJDLZJF-CQSZACIVSA-N 1 1 321.385 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187949 678629185 /nfs/dbraw/zinc/62/91/85/678629185.db2.gz CHFBOCVBDKNMHZ-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187949 678629189 /nfs/dbraw/zinc/62/91/89/678629189.db2.gz CHFBOCVBDKNMHZ-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054133077 678629315 /nfs/dbraw/zinc/62/93/15/678629315.db2.gz UNQCUARWBKITSX-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054175811 678629326 /nfs/dbraw/zinc/62/93/26/678629326.db2.gz WHDPJSLCTCMQGT-MRXNPFEDSA-N 1 1 324.425 -1.275 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054133237 678629391 /nfs/dbraw/zinc/62/93/91/678629391.db2.gz ZBGVJISAIAPRNO-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001054156253 678629436 /nfs/dbraw/zinc/62/94/36/678629436.db2.gz LCZHCIGJLJMOLL-OAHLLOKOSA-N 1 1 323.397 -1.111 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCNC1=O)C2 ZINC001054177739 678629478 /nfs/dbraw/zinc/62/94/78/678629478.db2.gz QTURALSKNOYLTP-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186871 678629558 /nfs/dbraw/zinc/62/95/58/678629558.db2.gz GUOVSCGETOOTSM-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCNC1=O)C2 ZINC001054177740 678629591 /nfs/dbraw/zinc/62/95/91/678629591.db2.gz QTURALSKNOYLTP-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCNC1=O)C2 ZINC001054177737 678629610 /nfs/dbraw/zinc/62/96/10/678629610.db2.gz QTURALSKNOYLTP-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cnnn1)C2 ZINC001054219533 678629926 /nfs/dbraw/zinc/62/99/26/678629926.db2.gz PTEYLVVDORNANV-CQSZACIVSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001054199287 678629955 /nfs/dbraw/zinc/62/99/55/678629955.db2.gz RYMQFDPGIINHNM-ZETOZRRWSA-N 1 1 308.382 -1.092 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054214989 678630046 /nfs/dbraw/zinc/63/00/46/678630046.db2.gz JFFOYSCZSRFWRI-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001054365475 678630118 /nfs/dbraw/zinc/63/01/18/678630118.db2.gz HHIQJMZRNFYOAZ-QWRGUYRKSA-N 1 1 319.373 -1.079 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)nn1 ZINC001054374855 678630673 /nfs/dbraw/zinc/63/06/73/678630673.db2.gz SYEJOCJTKRPYHY-PWSUYJOCSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054366044 678630732 /nfs/dbraw/zinc/63/07/32/678630732.db2.gz JSPUYHGHGFFFMU-MWLCHTKSSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001054366682 678630747 /nfs/dbraw/zinc/63/07/47/678630747.db2.gz MJKGDLCWYDUXEZ-CMPLNLGQSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054366045 678630807 /nfs/dbraw/zinc/63/08/07/678630807.db2.gz JSPUYHGHGFFFMU-ONGXEEELSA-N 1 1 305.346 -1.562 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)[nH]1 ZINC001054369895 678630964 /nfs/dbraw/zinc/63/09/64/678630964.db2.gz MWGNOIHJHIUHDF-WPRPVWTQSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054463773 678631366 /nfs/dbraw/zinc/63/13/66/678631366.db2.gz ZSIBQDBKSJRBJM-KOLCDFICSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054461913 678631439 /nfs/dbraw/zinc/63/14/39/678631439.db2.gz RKSHJZSTNWWAPN-MWLCHTKSSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054460300 678631451 /nfs/dbraw/zinc/63/14/51/678631451.db2.gz LGKDNEWAOQCHID-RKDXNWHRSA-N 1 1 316.387 -1.809 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054463772 678631468 /nfs/dbraw/zinc/63/14/68/678631468.db2.gz ZSIBQDBKSJRBJM-GXSJLCMTSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054461915 678631538 /nfs/dbraw/zinc/63/15/38/678631538.db2.gz RKSHJZSTNWWAPN-ONGXEEELSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054496741 678631604 /nfs/dbraw/zinc/63/16/04/678631604.db2.gz MAWUTESYNBFVGO-SCZZXKLOSA-N 1 1 307.358 -1.180 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054580370 678632149 /nfs/dbraw/zinc/63/21/49/678632149.db2.gz MCXYGYPJWDLRLE-ZJUUUORDSA-N 1 1 320.357 -1.251 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001054506047 678632219 /nfs/dbraw/zinc/63/22/19/678632219.db2.gz JGBGVOMJFLRLKH-NXEZZACHSA-N 1 1 309.374 -1.105 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054584170 678632257 /nfs/dbraw/zinc/63/22/57/678632257.db2.gz XKHWHJZLLBNDKN-ZJUUUORDSA-N 1 1 320.357 -1.251 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)[C@@H](C)C2)C1 ZINC001054603510 678632725 /nfs/dbraw/zinc/63/27/25/678632725.db2.gz XHRKEKRRLWVWSI-CABZTGNLSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054604154 678632741 /nfs/dbraw/zinc/63/27/41/678632741.db2.gz YZIVDWCCZKBGPX-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054595655 678632888 /nfs/dbraw/zinc/63/28/88/678632888.db2.gz DCQSRSZVAZGGJU-KOLCDFICSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054600428 678632932 /nfs/dbraw/zinc/63/29/32/678632932.db2.gz VBNREOPHJWMFPF-SCZZXKLOSA-N 1 1 319.373 -1.224 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054647542 678633274 /nfs/dbraw/zinc/63/32/74/678633274.db2.gz GCGUCMQVGKODCQ-VHSXEESVSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054647538 678633278 /nfs/dbraw/zinc/63/32/78/678633278.db2.gz GCGUCMQVGKODCQ-UWVGGRQHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054638837 678633281 /nfs/dbraw/zinc/63/32/81/678633281.db2.gz XQZJJBJBXCBROG-IUCAKERBSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054647545 678633427 /nfs/dbraw/zinc/63/34/27/678633427.db2.gz GCGUCMQVGKODCQ-ZJUUUORDSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054646473 678633470 /nfs/dbraw/zinc/63/34/70/678633470.db2.gz BYBVOGZMHAYJLA-KOLCDFICSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054696870 678633882 /nfs/dbraw/zinc/63/38/82/678633882.db2.gz NHSMZQAWFIOZDD-VHSXEESVSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054650836 678633901 /nfs/dbraw/zinc/63/39/01/678633901.db2.gz SXLVRYXLZKBBSQ-VHSXEESVSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054696869 678634026 /nfs/dbraw/zinc/63/40/26/678634026.db2.gz NHSMZQAWFIOZDD-UWVGGRQHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054650832 678634198 /nfs/dbraw/zinc/63/41/98/678634198.db2.gz SXLVRYXLZKBBSQ-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)nn1 ZINC001054651291 678634322 /nfs/dbraw/zinc/63/43/22/678634322.db2.gz WNVZNXDRRTYUCT-PWSUYJOCSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054823305 678635460 /nfs/dbraw/zinc/63/54/60/678635460.db2.gz KLYKWWMDJGMQPG-ONGXEEELSA-N 1 1 321.341 -1.399 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054962884 678636295 /nfs/dbraw/zinc/63/62/95/678636295.db2.gz UTVAWYNIJVLCGX-IONNQARKSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054981968 678636807 /nfs/dbraw/zinc/63/68/07/678636807.db2.gz QSRMFNKMZRHBTO-PSASIEDQSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054980396 678636968 /nfs/dbraw/zinc/63/69/68/678636968.db2.gz CXESQOGJWTYIAV-SCZZXKLOSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054980353 678637011 /nfs/dbraw/zinc/63/70/11/678637011.db2.gz CGXBDLLEYCUGHT-SFYZADRCSA-N 1 1 306.334 -2.016 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054980199 678637204 /nfs/dbraw/zinc/63/72/04/678637204.db2.gz BICHUTUYTYWZBW-DTWKUNHWSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054980198 678637209 /nfs/dbraw/zinc/63/72/09/678637209.db2.gz BICHUTUYTYWZBW-BDAKNGLRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001055022235 678637558 /nfs/dbraw/zinc/63/75/58/678637558.db2.gz BGRKNZVCWHNNMD-IUCAKERBSA-N 1 1 308.342 -1.770 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055027514 678637610 /nfs/dbraw/zinc/63/76/10/678637610.db2.gz XQYPKAXNADQOKL-NXEZZACHSA-N 1 1 309.374 -1.105 20 0 DAADMO Cc1ocnc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055536533 678641175 /nfs/dbraw/zinc/64/11/75/678641175.db2.gz ZSJWPSRCYLDJLD-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)on1 ZINC001055627242 678642705 /nfs/dbraw/zinc/64/27/05/678642705.db2.gz MGJQQHPMNGDGKU-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626704 678642755 /nfs/dbraw/zinc/64/27/55/678642755.db2.gz CTLDVIIQSOPOOE-SECBINFHSA-N 1 1 300.359 -1.797 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2cnco2)CC1 ZINC001055604006 678642808 /nfs/dbraw/zinc/64/28/08/678642808.db2.gz NFUHTYWHQGXJKM-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO Cn1cccc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627593 678642935 /nfs/dbraw/zinc/64/29/35/678642935.db2.gz SGPAGYFBTZGRLF-UHFFFAOYSA-N 1 1 321.381 -1.179 20 0 DAADMO CCO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627860 678642950 /nfs/dbraw/zinc/64/29/50/678642950.db2.gz WTZOGGPGOIRKBV-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001055629314 678643424 /nfs/dbraw/zinc/64/34/24/678643424.db2.gz VGSRFNCJCNEAAH-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO Cn1ncc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001055629412 678643457 /nfs/dbraw/zinc/64/34/57/678643457.db2.gz ZKZOLGWCRQXGBX-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO CNC(=O)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629290 678643494 /nfs/dbraw/zinc/64/34/94/678643494.db2.gz UDKUUPYLZIRMKH-UHFFFAOYSA-N 1 1 313.358 -2.695 20 0 DAADMO Cc1nc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)co1 ZINC001055628907 678643594 /nfs/dbraw/zinc/64/35/94/678643594.db2.gz KZMDMCZSGLAXOM-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001055629388 678643615 /nfs/dbraw/zinc/64/36/15/678643615.db2.gz YNEQWVRTJBNVLK-UHFFFAOYSA-N 1 1 322.369 -1.866 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC001055630179 678643713 /nfs/dbraw/zinc/64/37/13/678643713.db2.gz VYEBICUAFQAMJR-UHFFFAOYSA-N 1 1 307.354 -1.190 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC23CC3)CC1 ZINC001055629057 678643756 /nfs/dbraw/zinc/64/37/56/678643756.db2.gz NGRPTOQLBNPYMY-LLVKDONJSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccnnc2)CC1 ZINC001055629411 678643775 /nfs/dbraw/zinc/64/37/75/678643775.db2.gz ZIIWVHUKZDQXSX-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001055629247 678643916 /nfs/dbraw/zinc/64/39/16/678643916.db2.gz RNXXCTJQAWKQCB-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001055628702 678643936 /nfs/dbraw/zinc/64/39/36/678643936.db2.gz HMQLWOAGRWESGV-UHFFFAOYSA-N 1 1 324.345 -3.145 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055839103 678649141 /nfs/dbraw/zinc/64/91/41/678649141.db2.gz ZVMCPVHADBPENJ-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055981237 678653654 /nfs/dbraw/zinc/65/36/54/678653654.db2.gz XQNBMIMMINGPPD-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001056005364 678654506 /nfs/dbraw/zinc/65/45/06/678654506.db2.gz IVXREHZIVCNOTN-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056032857 678655145 /nfs/dbraw/zinc/65/51/45/678655145.db2.gz SZYNLWCLUUEMJU-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056088226 678657080 /nfs/dbraw/zinc/65/70/80/678657080.db2.gz RKHHDCJDVVOQNM-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087873 678657213 /nfs/dbraw/zinc/65/72/13/678657213.db2.gz MEHAZECKMARJLI-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056091803 678659881 /nfs/dbraw/zinc/65/98/81/678659881.db2.gz YWNHWDZXZZOHPF-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001056729813 678664998 /nfs/dbraw/zinc/66/49/98/678664998.db2.gz JQKHFOJZSORDED-OWYJLGKBSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cn1cncn1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000104307 678670349 /nfs/dbraw/zinc/67/03/49/678670349.db2.gz XBCXHWJWSFWFCS-UHFFFAOYSA-N 1 1 322.369 -1.673 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000112930 678670899 /nfs/dbraw/zinc/67/08/99/678670899.db2.gz YTQWPGDLGHHPMY-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000114540 678670910 /nfs/dbraw/zinc/67/09/10/678670910.db2.gz CXCIJZZNRIVSND-JQWIXIFHSA-N 1 1 306.370 -1.197 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001056816261 678672813 /nfs/dbraw/zinc/67/28/13/678672813.db2.gz UKBSFXFBHVVMLP-GFCCVEGCSA-N 1 1 314.386 -1.989 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056913825 678677624 /nfs/dbraw/zinc/67/76/24/678677624.db2.gz UQEGFNZHOYANKM-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000884782 678683510 /nfs/dbraw/zinc/68/35/10/678683510.db2.gz ZQOKKZLYKRAPHO-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000884782 678683515 /nfs/dbraw/zinc/68/35/15/678683515.db2.gz ZQOKKZLYKRAPHO-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001000973677 678684626 /nfs/dbraw/zinc/68/46/26/678684626.db2.gz QDJKPTWGADNADR-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001000973677 678684627 /nfs/dbraw/zinc/68/46/27/678684627.db2.gz QDJKPTWGADNADR-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)C1 ZINC001057047867 678687124 /nfs/dbraw/zinc/68/71/24/678687124.db2.gz OJHMWGGBTPNMAP-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccn[nH]2)C1 ZINC001057047867 678687128 /nfs/dbraw/zinc/68/71/28/678687128.db2.gz OJHMWGGBTPNMAP-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccn[nH]2)C1 ZINC001057047867 678687130 /nfs/dbraw/zinc/68/71/30/678687130.db2.gz OJHMWGGBTPNMAP-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057111724 678690600 /nfs/dbraw/zinc/69/06/00/678690600.db2.gz UUYKKJJTQGXGMY-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1cc[nH]n1 ZINC001057209250 678699085 /nfs/dbraw/zinc/69/90/85/678699085.db2.gz LRDPEGLADBKBHR-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1cccn1 ZINC001057209444 678699114 /nfs/dbraw/zinc/69/91/14/678699114.db2.gz OXWXHRMQDUYUGV-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 ZINC001057212161 678699623 /nfs/dbraw/zinc/69/96/23/678699623.db2.gz JZKCGIRICPYFDX-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212145 678699682 /nfs/dbraw/zinc/69/96/82/678699682.db2.gz JUCOBIUCQYZAPQ-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO CN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057212102 678699822 /nfs/dbraw/zinc/69/98/22/678699822.db2.gz IURRZMPKLCCSKN-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001057212051 678699988 /nfs/dbraw/zinc/69/99/88/678699988.db2.gz ILXCQAIPMNTGNN-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1nnc[nH]1 ZINC001057212051 678699995 /nfs/dbraw/zinc/69/99/95/678699995.db2.gz ILXCQAIPMNTGNN-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1nnc[nH]1 ZINC001057212051 678700000 /nfs/dbraw/zinc/70/00/00/678700000.db2.gz ILXCQAIPMNTGNN-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001050000693 678700735 /nfs/dbraw/zinc/70/07/35/678700735.db2.gz RFMNLECXVORCOR-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001050000693 678700740 /nfs/dbraw/zinc/70/07/40/678700740.db2.gz RFMNLECXVORCOR-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001050019109 678701049 /nfs/dbraw/zinc/70/10/49/678701049.db2.gz CAIAFXMPPULCOO-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001050019109 678701051 /nfs/dbraw/zinc/70/10/51/678701051.db2.gz CAIAFXMPPULCOO-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050006573 678701101 /nfs/dbraw/zinc/70/11/01/678701101.db2.gz MROUKGBHWAADHK-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050006573 678701102 /nfs/dbraw/zinc/70/11/02/678701102.db2.gz MROUKGBHWAADHK-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001050028161 678701166 /nfs/dbraw/zinc/70/11/66/678701166.db2.gz SBJYSLIVUOYAIW-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001050028161 678701169 /nfs/dbraw/zinc/70/11/69/678701169.db2.gz SBJYSLIVUOYAIW-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026784 678701226 /nfs/dbraw/zinc/70/12/26/678701226.db2.gz QHZVPARFMGDHNN-VHSXEESVSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026784 678701230 /nfs/dbraw/zinc/70/12/30/678701230.db2.gz QHZVPARFMGDHNN-VHSXEESVSA-N 1 1 308.342 -1.608 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026681 678701453 /nfs/dbraw/zinc/70/14/53/678701453.db2.gz LUAWSRNNWQOQLU-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026681 678701456 /nfs/dbraw/zinc/70/14/56/678701456.db2.gz LUAWSRNNWQOQLU-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057241822 678702155 /nfs/dbraw/zinc/70/21/55/678702155.db2.gz NZLJNIYLGLHSRW-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057242733 678702797 /nfs/dbraw/zinc/70/27/97/678702797.db2.gz FTKHJGZFXUBBIB-LLVKDONJSA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057245400 678703729 /nfs/dbraw/zinc/70/37/29/678703729.db2.gz ZHEBKYCIIZMLPS-NSHDSACASA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057244837 678703820 /nfs/dbraw/zinc/70/38/20/678703820.db2.gz CMGQHQIKSHCUKL-GHMZBOCLSA-N 1 1 314.386 -2.003 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050049238 678704179 /nfs/dbraw/zinc/70/41/79/678704179.db2.gz XBQMRXLIBVPJMZ-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057246815 678704203 /nfs/dbraw/zinc/70/42/03/678704203.db2.gz QBZLJUSOXIGGGH-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001057254220 678705680 /nfs/dbraw/zinc/70/56/80/678705680.db2.gz IFDPDRYMZKAOQQ-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057254220 678705685 /nfs/dbraw/zinc/70/56/85/678705685.db2.gz IFDPDRYMZKAOQQ-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057254220 678705687 /nfs/dbraw/zinc/70/56/87/678705687.db2.gz IFDPDRYMZKAOQQ-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2cc[nH]n2)C1 ZINC001057257726 678706135 /nfs/dbraw/zinc/70/61/35/678706135.db2.gz NIVONWAHGINEDM-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2ccn[nH]2)C1 ZINC001057257726 678706138 /nfs/dbraw/zinc/70/61/38/678706138.db2.gz NIVONWAHGINEDM-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2ccn[nH]2)C1 ZINC001057257726 678706141 /nfs/dbraw/zinc/70/61/41/678706141.db2.gz NIVONWAHGINEDM-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263102 678706173 /nfs/dbraw/zinc/70/61/73/678706173.db2.gz DXEHFVCSZHJSLI-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CSCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263837 678706703 /nfs/dbraw/zinc/70/67/03/678706703.db2.gz PGDXOLFJFQVOCV-NSHDSACASA-N 1 1 319.427 -1.383 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263102 678706175 /nfs/dbraw/zinc/70/61/75/678706175.db2.gz DXEHFVCSZHJSLI-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC001050102053 678706238 /nfs/dbraw/zinc/70/62/38/678706238.db2.gz IWUNBBKIYXXQFY-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263217 678706326 /nfs/dbraw/zinc/70/63/26/678706326.db2.gz GJRJEBYERLHPNY-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263217 678706328 /nfs/dbraw/zinc/70/63/28/678706328.db2.gz GJRJEBYERLHPNY-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263243 678706444 /nfs/dbraw/zinc/70/64/44/678706444.db2.gz GYJOMEDSCNWWPE-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263243 678706446 /nfs/dbraw/zinc/70/64/46/678706446.db2.gz GYJOMEDSCNWWPE-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO CSCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263837 678706700 /nfs/dbraw/zinc/70/67/00/678706700.db2.gz PGDXOLFJFQVOCV-NSHDSACASA-N 1 1 319.427 -1.383 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001050112025 678706831 /nfs/dbraw/zinc/70/68/31/678706831.db2.gz OXQDDTIEQAOFCF-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001050112025 678706835 /nfs/dbraw/zinc/70/68/35/678706835.db2.gz OXQDDTIEQAOFCF-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001050112024 678706988 /nfs/dbraw/zinc/70/69/88/678706988.db2.gz OXQDDTIEQAOFCF-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001050112024 678706992 /nfs/dbraw/zinc/70/69/92/678706992.db2.gz OXQDDTIEQAOFCF-QJPTWQEYSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116578 678707043 /nfs/dbraw/zinc/70/70/43/678707043.db2.gz WJEJITLFYLXBSK-GARJFASQSA-N 1 1 321.385 -1.119 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116578 678707049 /nfs/dbraw/zinc/70/70/49/678707049.db2.gz WJEJITLFYLXBSK-GARJFASQSA-N 1 1 321.385 -1.119 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050110758 678707061 /nfs/dbraw/zinc/70/70/61/678707061.db2.gz XPDXBCLDAYOPSN-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057264865 678707139 /nfs/dbraw/zinc/70/71/39/678707139.db2.gz HAFXVBSCLNQFGC-SECBINFHSA-N 1 1 302.331 -3.261 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057264865 678707140 /nfs/dbraw/zinc/70/71/40/678707140.db2.gz HAFXVBSCLNQFGC-SECBINFHSA-N 1 1 302.331 -3.261 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116009 678707315 /nfs/dbraw/zinc/70/73/15/678707315.db2.gz LERBWFPCJABUCM-KXUCPTDWSA-N 1 1 307.358 -1.380 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116009 678707317 /nfs/dbraw/zinc/70/73/17/678707317.db2.gz LERBWFPCJABUCM-KXUCPTDWSA-N 1 1 307.358 -1.380 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC001050138659 678707507 /nfs/dbraw/zinc/70/75/07/678707507.db2.gz PDLZMMAMWHNLRU-QNWHQSFQSA-N 1 1 311.382 -1.066 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001050131676 678707748 /nfs/dbraw/zinc/70/77/48/678707748.db2.gz VFFUFXRPDMBYNS-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001050131676 678707754 /nfs/dbraw/zinc/70/77/54/678707754.db2.gz VFFUFXRPDMBYNS-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152274 678707933 /nfs/dbraw/zinc/70/79/33/678707933.db2.gz KGCVPORIWFEWKN-FIQHERPVSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n(C)c1=O ZINC001050209992 678708452 /nfs/dbraw/zinc/70/84/52/678708452.db2.gz LUMVTKPZDQZXGW-WDEREUQCSA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n(C)c1=O ZINC001050209992 678708455 /nfs/dbraw/zinc/70/84/55/678708455.db2.gz LUMVTKPZDQZXGW-WDEREUQCSA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001057494399 678723305 /nfs/dbraw/zinc/72/33/05/678723305.db2.gz YSRMLCXPQLTZGL-LBPRGKRZSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)C1 ZINC001057521684 678726621 /nfs/dbraw/zinc/72/66/21/678726621.db2.gz JWXDMAKHUVDYDD-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848399 678732680 /nfs/dbraw/zinc/73/26/80/678732680.db2.gz HYAZYNPRARSJTK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848817 678732980 /nfs/dbraw/zinc/73/29/80/678732980.db2.gz PSUWWMFCYYWOCH-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001050848702 678733146 /nfs/dbraw/zinc/73/31/46/678733146.db2.gz NJPASZGZGWVZNB-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632857 678733437 /nfs/dbraw/zinc/73/34/37/678733437.db2.gz ZMHQOGZJSSTPEY-CHWSQXEVSA-N 1 1 315.414 -1.108 20 0 DAADMO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057631992 678733554 /nfs/dbraw/zinc/73/35/54/678733554.db2.gz FVEDSFFORIMMPJ-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057631990 678733561 /nfs/dbraw/zinc/73/35/61/678733561.db2.gz FVEDSFFORIMMPJ-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001050856077 678733570 /nfs/dbraw/zinc/73/35/70/678733570.db2.gz BYXGCXISEHEVHI-GHMZBOCLSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001050856077 678733574 /nfs/dbraw/zinc/73/35/74/678733574.db2.gz BYXGCXISEHEVHI-GHMZBOCLSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)C1 ZINC001057632863 678733629 /nfs/dbraw/zinc/73/36/29/678733629.db2.gz ZROTZWQEKYUQDT-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cccnn2)C1 ZINC001057633375 678733680 /nfs/dbraw/zinc/73/36/80/678733680.db2.gz JWDSGXIGDNUYFW-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)C1 ZINC001057631580 678733697 /nfs/dbraw/zinc/73/36/97/678733697.db2.gz ACZLFSLQMLUJFH-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632858 678733734 /nfs/dbraw/zinc/73/37/34/678733734.db2.gz ZMHQOGZJSSTPEY-QWHCGFSZSA-N 1 1 315.414 -1.108 20 0 DAADMO CNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632742 678733740 /nfs/dbraw/zinc/73/37/40/678733740.db2.gz WMQGOCUQZQJTBA-LLVKDONJSA-N 1 1 314.386 -1.989 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632537 678733779 /nfs/dbraw/zinc/73/37/79/678733779.db2.gz QZHBBIJHSYKCFO-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001057636698 678734209 /nfs/dbraw/zinc/73/42/09/678734209.db2.gz XDVOWADUTFSNGA-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cn2ccnc2)C1 ZINC001057636218 678734259 /nfs/dbraw/zinc/73/42/59/678734259.db2.gz OUBMKNSKMOQWQV-ZDUSSCGKSA-N 1 1 323.397 -1.228 20 0 DAADMO Cn1cncc1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057636601 678734285 /nfs/dbraw/zinc/73/42/85/678734285.db2.gz VCMLIBSZRIQGLI-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cn2cncn2)C1 ZINC001057635718 678734320 /nfs/dbraw/zinc/73/43/20/678734320.db2.gz HVPPXJUBZQZGOP-GFCCVEGCSA-N 1 1 324.385 -1.833 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccnnc2)C1 ZINC001057636631 678734367 /nfs/dbraw/zinc/73/43/67/678734367.db2.gz VQIIJTOHGFMWBW-CYBMUJFWSA-N 1 1 321.381 -1.021 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001050858083 678734475 /nfs/dbraw/zinc/73/44/75/678734475.db2.gz DMZUBMCKYZIVRS-NWDGAFQWSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001050858083 678734477 /nfs/dbraw/zinc/73/44/77/678734477.db2.gz DMZUBMCKYZIVRS-NWDGAFQWSA-N 1 1 314.386 -2.120 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cn2ccnc2)C1 ZINC001057636216 678734505 /nfs/dbraw/zinc/73/45/05/678734505.db2.gz OUBMKNSKMOQWQV-CYBMUJFWSA-N 1 1 323.397 -1.228 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051242953 678751581 /nfs/dbraw/zinc/75/15/81/678751581.db2.gz ZBMXIYQRHAIRQW-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051251590 678751851 /nfs/dbraw/zinc/75/18/51/678751851.db2.gz PZLQHINOPTVDRA-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051251590 678751855 /nfs/dbraw/zinc/75/18/55/678751855.db2.gz PZLQHINOPTVDRA-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001051250009 678752250 /nfs/dbraw/zinc/75/22/50/678752250.db2.gz IOXWBZKNEDKNHY-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001051250009 678752254 /nfs/dbraw/zinc/75/22/54/678752254.db2.gz IOXWBZKNEDKNHY-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001051412044 678754199 /nfs/dbraw/zinc/75/41/99/678754199.db2.gz AXLSUWOHKKGRMN-SNVBAGLBSA-N 1 1 324.341 -1.585 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421506 678754622 /nfs/dbraw/zinc/75/46/22/678754622.db2.gz QPBXJXWLCXQDPK-JTQLQIEISA-N 1 1 322.329 -1.618 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1 ZINC001051421420 678754707 /nfs/dbraw/zinc/75/47/07/678754707.db2.gz QHBYJADFLJVREY-NSHDSACASA-N 1 1 321.345 -2.181 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)[nH]1 ZINC001051417134 678755002 /nfs/dbraw/zinc/75/50/02/678755002.db2.gz BJRUOXMKBZUGQZ-JTQLQIEISA-N 1 1 321.345 -1.883 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)no1 ZINC001051427027 678755628 /nfs/dbraw/zinc/75/56/28/678755628.db2.gz QHNYVCZTYYJWGW-GFCCVEGCSA-N 1 1 321.341 -1.013 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051456122 678756049 /nfs/dbraw/zinc/75/60/49/678756049.db2.gz VGQNVHOYLLWVSL-ZJUUUORDSA-N 1 1 321.337 -1.355 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)nc1=O ZINC001051462723 678756765 /nfs/dbraw/zinc/75/67/65/678756765.db2.gz JXAMHQKTNVQJHX-SNVBAGLBSA-N 1 1 321.341 -1.538 20 0 DAADMO CO[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051474353 678758010 /nfs/dbraw/zinc/75/80/10/678758010.db2.gz XFCUMAADRSQFHC-ZJUUUORDSA-N 1 1 313.358 -1.540 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3cocn3)CCO2)nc1=O ZINC001051483003 678758243 /nfs/dbraw/zinc/75/82/43/678758243.db2.gz MBNWRIJRONOBPH-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001051488774 678758369 /nfs/dbraw/zinc/75/83/69/678758369.db2.gz SNGHYUZXZPGYND-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001051476973 678758435 /nfs/dbraw/zinc/75/84/35/678758435.db2.gz XNSCWLFMLGJALQ-MNOVXSKESA-N 1 1 310.358 -1.436 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)n1C ZINC001051501787 678758981 /nfs/dbraw/zinc/75/89/81/678758981.db2.gz LBLASYBXLDYAKU-JTQLQIEISA-N 1 1 324.385 -1.430 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC001051489696 678759121 /nfs/dbraw/zinc/75/91/21/678759121.db2.gz JMFAEQPORUOAOG-NWDGAFQWSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489923 678759400 /nfs/dbraw/zinc/75/94/00/678759400.db2.gz LZUUHCFUCKBSJA-GHMZBOCLSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001051489924 678759444 /nfs/dbraw/zinc/75/94/44/678759444.db2.gz LZUUHCFUCKBSJA-WDEREUQCSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001051505151 678759698 /nfs/dbraw/zinc/75/96/98/678759698.db2.gz MWXOGYJSUOZUIO-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051505804 678759735 /nfs/dbraw/zinc/75/97/35/678759735.db2.gz SMWAKRAUBFAJSB-NSHDSACASA-N 1 1 324.385 -1.120 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051504593 678759905 /nfs/dbraw/zinc/75/99/05/678759905.db2.gz IJKQQKKVGSHUDA-SNVBAGLBSA-N 1 1 323.357 -1.800 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC001051506068 678759937 /nfs/dbraw/zinc/75/99/37/678759937.db2.gz WJMNZIJNFGXZSG-LLVKDONJSA-N 1 1 310.358 -1.510 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC001051504822 678760014 /nfs/dbraw/zinc/76/00/14/678760014.db2.gz LIPYQGSELZAETL-WPRPVWTQSA-N 1 1 310.358 -1.133 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1)c1nncn1C ZINC001051506202 678760414 /nfs/dbraw/zinc/76/04/14/678760414.db2.gz ZCQZATDFPSDSGC-ZJUUUORDSA-N 1 1 310.358 -1.432 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051546200 678760778 /nfs/dbraw/zinc/76/07/78/678760778.db2.gz YFAPLAGESXGBGR-CMPLNLGQSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001051564893 678760836 /nfs/dbraw/zinc/76/08/36/678760836.db2.gz MQWUXFMMUOYJMJ-NSHDSACASA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001051581430 678761533 /nfs/dbraw/zinc/76/15/33/678761533.db2.gz DQCXZCGSVCUKMB-SNVBAGLBSA-N 1 1 312.374 -1.312 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588105 678762047 /nfs/dbraw/zinc/76/20/47/678762047.db2.gz NMNKSLYQSNWQCU-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051589115 678762065 /nfs/dbraw/zinc/76/20/65/678762065.db2.gz ZSNJDRUDJDARMJ-NXEZZACHSA-N 1 1 311.298 -1.505 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051589118 678762082 /nfs/dbraw/zinc/76/20/82/678762082.db2.gz ZSNJDRUDJDARMJ-UWVGGRQHSA-N 1 1 311.298 -1.505 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051587249 678762109 /nfs/dbraw/zinc/76/21/09/678762109.db2.gz GEBXVEHPAKEFQD-MNOVXSKESA-N 1 1 321.337 -1.098 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588109 678762217 /nfs/dbraw/zinc/76/22/17/678762217.db2.gz NNOBGCGQXPWZOH-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3cn(C)nn3)C2)n1 ZINC001051596121 678762557 /nfs/dbraw/zinc/76/25/57/678762557.db2.gz KVMRXPQGFMFOGD-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)nn3)CCO2)[nH]1 ZINC001051594798 678762705 /nfs/dbraw/zinc/76/27/05/678762705.db2.gz NUJYXYFCBAPJNA-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnn(C)n3)C2)nn1 ZINC001051594647 678762893 /nfs/dbraw/zinc/76/28/93/678762893.db2.gz MMVJVCYMNYFZKG-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051614707 678763407 /nfs/dbraw/zinc/76/34/07/678763407.db2.gz MDFBEYZKRIBVMB-VIFPVBQESA-N 1 1 322.333 -2.786 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051613494 678763510 /nfs/dbraw/zinc/76/35/10/678763510.db2.gz CYSOXZFREKIGOY-LLVKDONJSA-N 1 1 318.341 -1.520 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)n1 ZINC001051614002 678763648 /nfs/dbraw/zinc/76/36/48/678763648.db2.gz GTWJUHCKCJRZTF-NSHDSACASA-N 1 1 321.345 -2.181 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051614630 678763668 /nfs/dbraw/zinc/76/36/68/678763668.db2.gz LLALLINOCADLMO-NSHDSACASA-N 1 1 307.314 -1.322 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2nncs2)C1 ZINC001051617826 678764069 /nfs/dbraw/zinc/76/40/69/678764069.db2.gz ULMQVGVEBMSDKH-SECBINFHSA-N 1 1 324.370 -1.458 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)co1 ZINC001051616772 678764073 /nfs/dbraw/zinc/76/40/73/678764073.db2.gz LPANSWNEQHPVGF-GFCCVEGCSA-N 1 1 321.341 -1.013 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615595 678764158 /nfs/dbraw/zinc/76/41/58/678764158.db2.gz WVKLBORTZAYVJB-SNVBAGLBSA-N 1 1 322.329 -1.618 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)[nH]1 ZINC001051615886 678764450 /nfs/dbraw/zinc/76/44/50/678764450.db2.gz DEMKMMQGAKUMBE-JTQLQIEISA-N 1 1 321.345 -1.883 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051665963 678766095 /nfs/dbraw/zinc/76/60/95/678766095.db2.gz ZJFLEUXEABMEFG-JTQLQIEISA-N 1 1 311.342 -1.102 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696105 678766620 /nfs/dbraw/zinc/76/66/20/678766620.db2.gz OHVVRCYMRJRIIO-QMMMGPOBSA-N 1 1 307.318 -2.041 20 0 DAADMO C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CNC(=O)C1 ZINC001051733009 678767411 /nfs/dbraw/zinc/76/74/11/678767411.db2.gz VRIAHQUDUPNWOH-RISCZKNCSA-N 1 1 323.353 -1.087 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051744854 678767995 /nfs/dbraw/zinc/76/79/95/678767995.db2.gz MVGHJEAGEWQAJP-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001051751307 678768768 /nfs/dbraw/zinc/76/87/68/678768768.db2.gz VFUSNQFCFMMWHE-LLVKDONJSA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051749625 678768907 /nfs/dbraw/zinc/76/89/07/678768907.db2.gz HEVMCYMWYBJZEH-WDEREUQCSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051747626 678768936 /nfs/dbraw/zinc/76/89/36/678768936.db2.gz OWALIANHSLKLIZ-VIFPVBQESA-N 1 1 321.345 -1.733 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753252 678769233 /nfs/dbraw/zinc/76/92/33/678769233.db2.gz ZIMBWAYYFMORPQ-MNOVXSKESA-N 1 1 322.369 -1.732 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051752758 678769279 /nfs/dbraw/zinc/76/92/79/678769279.db2.gz PNZDERYAILUTTH-RYUDHWBXSA-N 1 1 319.365 -1.070 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051752757 678769341 /nfs/dbraw/zinc/76/93/41/678769341.db2.gz PNZDERYAILUTTH-NWDGAFQWSA-N 1 1 319.365 -1.070 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)[nH]1 ZINC001051752442 678769349 /nfs/dbraw/zinc/76/93/49/678769349.db2.gz JYXPKACAECUQQW-GHMZBOCLSA-N 1 1 322.369 -1.434 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051752619 678769448 /nfs/dbraw/zinc/76/94/48/678769448.db2.gz MXKRDNXICQVCDW-ZJUUUORDSA-N 1 1 323.357 -2.337 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051752759 678769460 /nfs/dbraw/zinc/76/94/60/678769460.db2.gz PNZDERYAILUTTH-VXGBXAGGSA-N 1 1 319.365 -1.070 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001051765305 678769536 /nfs/dbraw/zinc/76/95/36/678769536.db2.gz YQSHRCKNRCSEGV-MEWQQHAOSA-N 1 1 322.369 -1.581 20 0 DAADMO CCc1cc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051766108 678769879 /nfs/dbraw/zinc/76/98/79/678769879.db2.gz GROUPYXGDNVLBB-QWRGUYRKSA-N 1 1 307.354 -1.111 20 0 DAADMO CCc1nc(N2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc(C)[nH+]1 ZINC001051765877 678769970 /nfs/dbraw/zinc/76/99/70/678769970.db2.gz DLPKIAJZFAHBLO-VHSXEESVSA-N 1 1 307.354 -1.111 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1 ZINC001051774461 678771027 /nfs/dbraw/zinc/77/10/27/678771027.db2.gz XXKFWDNGOVVXCH-JTQLQIEISA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001051783577 678771440 /nfs/dbraw/zinc/77/14/40/678771440.db2.gz JYMXVBCAZCEYRA-NSHDSACASA-N 1 1 321.341 -1.242 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001051782156 678771736 /nfs/dbraw/zinc/77/17/36/678771736.db2.gz VZIZMOPGCHAAJO-NWDGAFQWSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001051793025 678772005 /nfs/dbraw/zinc/77/20/05/678772005.db2.gz RPXKITCLDATKCQ-MNOVXSKESA-N 1 1 323.357 -2.187 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)co1 ZINC001051792608 678772309 /nfs/dbraw/zinc/77/23/09/678772309.db2.gz NKRSXZJDSVJFHQ-NEPJUHHUSA-N 1 1 323.353 -1.019 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051792574 678772316 /nfs/dbraw/zinc/77/23/16/678772316.db2.gz MSCYDZADTJSKGW-VHSXEESVSA-N 1 1 310.314 -1.932 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793949 678772324 /nfs/dbraw/zinc/77/23/24/678772324.db2.gz XWUCPMFCMFZXRI-ZYHUDNBSSA-N 1 1 323.353 -1.019 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051792935 678772479 /nfs/dbraw/zinc/77/24/79/678772479.db2.gz QKLKSVSUVOGKOA-ONGXEEELSA-N 1 1 324.341 -1.624 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793369 678772485 /nfs/dbraw/zinc/77/24/85/678772485.db2.gz UTEXICLOKSBXNN-ZJUUUORDSA-N 1 1 323.357 -2.187 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794478 678772690 /nfs/dbraw/zinc/77/26/90/678772690.db2.gz OITMAFCZGWACDH-SNVBAGLBSA-N 1 1 310.358 -1.510 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1)c1nnnn1C1CC1 ZINC001051794258 678772766 /nfs/dbraw/zinc/77/27/66/678772766.db2.gz JANBAAJTIFQQHI-SCZZXKLOSA-N 1 1 323.357 -1.629 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794477 678772981 /nfs/dbraw/zinc/77/29/81/678772981.db2.gz OITMAFCZGWACDH-JTQLQIEISA-N 1 1 310.358 -1.510 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794587 678773042 /nfs/dbraw/zinc/77/30/42/678773042.db2.gz PBPVREKKZHKTNC-VIFPVBQESA-N 1 1 311.346 -2.115 20 0 DAADMO CC(C)n1nnnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795424 678773538 /nfs/dbraw/zinc/77/35/38/678773538.db2.gz GSPKDVCFHZEACA-VIFPVBQESA-N 1 1 311.346 -1.944 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051797559 678773649 /nfs/dbraw/zinc/77/36/49/678773649.db2.gz BOUUFLMMNSOHTG-SNVBAGLBSA-N 1 1 322.369 -1.602 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)n1 ZINC001051798241 678773773 /nfs/dbraw/zinc/77/37/73/678773773.db2.gz IUXKZUYLZIKPNT-LLVKDONJSA-N 1 1 322.369 -1.602 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051797556 678773808 /nfs/dbraw/zinc/77/38/08/678773808.db2.gz BOUUFLMMNSOHTG-JTQLQIEISA-N 1 1 322.369 -1.602 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)[nH]1 ZINC001051799243 678774202 /nfs/dbraw/zinc/77/42/02/678774202.db2.gz RWGFMOWSMSEWEO-SNVBAGLBSA-N 1 1 322.369 -1.304 20 0 DAADMO C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CCNC1=O ZINC001051822880 678774237 /nfs/dbraw/zinc/77/42/37/678774237.db2.gz RHJSDZWERJYFKW-RISCZKNCSA-N 1 1 323.353 -1.087 20 0 DAADMO CN1CC(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)=NC1=O ZINC001051803106 678774320 /nfs/dbraw/zinc/77/43/20/678774320.db2.gz JCFMIPDQKOYELR-NXEZZACHSA-N 1 1 323.353 -1.555 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051828111 678774929 /nfs/dbraw/zinc/77/49/29/678774929.db2.gz WZVJMVRLDIVEHI-UTUOFQBUSA-N 1 1 322.369 -1.747 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826281 678775118 /nfs/dbraw/zinc/77/51/18/678775118.db2.gz AFKAQIXYSCRRAE-MXWKQRLJSA-N 1 1 322.369 -1.747 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051832378 678775163 /nfs/dbraw/zinc/77/51/63/678775163.db2.gz MIZBCUMUFDIPQC-MDZLAQPJSA-N 1 1 324.385 -1.048 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)[nH]1 ZINC001051827135 678775279 /nfs/dbraw/zinc/77/52/79/678775279.db2.gz JASFSGYRNRFOBS-MXWKQRLJSA-N 1 1 322.369 -1.448 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001051848062 678776053 /nfs/dbraw/zinc/77/60/53/678776053.db2.gz JLXZGGRSSLDQGI-NSHDSACASA-N 1 1 320.357 -1.507 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)[nH]1 ZINC001051871934 678776562 /nfs/dbraw/zinc/77/65/62/678776562.db2.gz CDPSPTVXLIQWHJ-SECBINFHSA-N 1 1 306.330 -1.138 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1)c1nnnn1C ZINC001051873316 678776713 /nfs/dbraw/zinc/77/67/13/678776713.db2.gz UVKCYLZOYZGPFC-BDAKNGLRSA-N 1 1 321.345 -1.480 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cnon3)CCO2)nn1 ZINC001051876105 678777331 /nfs/dbraw/zinc/77/73/31/678777331.db2.gz IJMWPFULUKCGKZ-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cnon3)CCO2)n1 ZINC001051876369 678777436 /nfs/dbraw/zinc/77/74/36/678777436.db2.gz MSFXZFNIZWCJKI-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3cnon3)CCO2)nc1=O ZINC001051875771 678777534 /nfs/dbraw/zinc/77/75/34/678777534.db2.gz AKNFZSPAXLGSIA-MRVPVSSYSA-N 1 1 323.313 -1.878 20 0 DAADMO O=C(CCn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051882539 678777873 /nfs/dbraw/zinc/77/78/73/678777873.db2.gz RBXIHJATVMUVGR-LLVKDONJSA-N 1 1 322.329 -1.537 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897444 678777899 /nfs/dbraw/zinc/77/78/99/678777899.db2.gz YYSZKAAJEJVUNY-SECBINFHSA-N 1 1 321.345 -2.112 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)nn1 ZINC001051897275 678778292 /nfs/dbraw/zinc/77/82/92/678778292.db2.gz XKGSFSUWAPLRFQ-LLVKDONJSA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051909483 678778791 /nfs/dbraw/zinc/77/87/91/678778791.db2.gz VPVZFANLQMKRIV-ZJUUUORDSA-N 1 1 323.357 -2.194 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC001051908524 678778807 /nfs/dbraw/zinc/77/88/07/678778807.db2.gz JMFAEQPORUOAOG-NEPJUHHUSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)nn1 ZINC001051905916 678778997 /nfs/dbraw/zinc/77/89/97/678778997.db2.gz IWCDOZZHHWSAAJ-NEPJUHHUSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924452 678779363 /nfs/dbraw/zinc/77/93/63/678779363.db2.gz NPLXQACCWJGENC-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924375 678779448 /nfs/dbraw/zinc/77/94/48/678779448.db2.gz LUAPPTWXGGOVKQ-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051932237 678779911 /nfs/dbraw/zinc/77/99/11/678779911.db2.gz MCTGPEQHNXYRQQ-GHMZBOCLSA-N 1 1 324.385 -1.221 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051931983 678779980 /nfs/dbraw/zinc/77/99/80/678779980.db2.gz JXSFKVXMCHMMGL-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930241 678780031 /nfs/dbraw/zinc/78/00/31/678780031.db2.gz KIDOWLSWTHLZDC-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO CC(=O)N1CC[C@@H]([NH+]2CCN(CCN3C(=O)CNC3=O)CC2)C1 ZINC001051963482 678781270 /nfs/dbraw/zinc/78/12/70/678781270.db2.gz VGPDVPCYMWQODV-CYBMUJFWSA-N 1 1 323.397 -1.223 20 0 DAADMO Cc1nonc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051951309 678781300 /nfs/dbraw/zinc/78/13/00/678781300.db2.gz BUAQCWXEQLPBRU-SECBINFHSA-N 1 1 322.329 -1.468 20 0 DAADMO Cc1nc[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051954821 678781487 /nfs/dbraw/zinc/78/14/87/678781487.db2.gz YUEHWCVWCNZKGF-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052027755 678783389 /nfs/dbraw/zinc/78/33/89/678783389.db2.gz JMYCBQAIIPVIBU-LBPRGKRZSA-N 1 1 311.365 -1.139 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052073695 678785285 /nfs/dbraw/zinc/78/52/85/678785285.db2.gz MOWFKDTYZCSHCH-VXGBXAGGSA-N 1 1 313.377 -1.144 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052185184 678787150 /nfs/dbraw/zinc/78/71/50/678787150.db2.gz ZMHRJQYXQKQYNT-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)nn1 ZINC001052184602 678787166 /nfs/dbraw/zinc/78/71/66/678787166.db2.gz NPXUMAKTLWSNLA-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)nn1 ZINC001052184602 678787168 /nfs/dbraw/zinc/78/71/68/678787168.db2.gz NPXUMAKTLWSNLA-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184855 678787431 /nfs/dbraw/zinc/78/74/31/678787431.db2.gz SQSGRQDHYKDAPT-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184855 678787435 /nfs/dbraw/zinc/78/74/35/678787435.db2.gz SQSGRQDHYKDAPT-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052183648 678787674 /nfs/dbraw/zinc/78/76/74/678787674.db2.gz GREGPGFWFNNZLQ-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052186267 678787738 /nfs/dbraw/zinc/78/77/38/678787738.db2.gz GPKFEHJRMPDOHT-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052325190 678789348 /nfs/dbraw/zinc/78/93/48/678789348.db2.gz HGJKRYYEMOFTQQ-ZJUUUORDSA-N 1 1 310.358 -1.172 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052326014 678789520 /nfs/dbraw/zinc/78/95/20/678789520.db2.gz WEFMGCHTUKZURY-WDEREUQCSA-N 1 1 322.369 -1.157 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382671 678789859 /nfs/dbraw/zinc/78/98/59/678789859.db2.gz RERAJISOVXLXNO-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)n1 ZINC001052395725 678790043 /nfs/dbraw/zinc/79/00/43/678790043.db2.gz YMKTTYAMXMWZRQ-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001052378730 678790060 /nfs/dbraw/zinc/79/00/60/678790060.db2.gz KLQZNNHJNLABSX-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)n1 ZINC001052395724 678790268 /nfs/dbraw/zinc/79/02/68/678790268.db2.gz YMKTTYAMXMWZRQ-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)n1 ZINC001052395341 678790278 /nfs/dbraw/zinc/79/02/78/678790278.db2.gz PXOWCLTXWCJXJX-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052430221 678790744 /nfs/dbraw/zinc/79/07/44/678790744.db2.gz QDIBHJLBYJXJQS-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052455398 678791215 /nfs/dbraw/zinc/79/12/15/678791215.db2.gz VNTQBTBOXPFJSU-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506389 678791752 /nfs/dbraw/zinc/79/17/52/678791752.db2.gz CQRPORJVASPDFK-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052535920 678792291 /nfs/dbraw/zinc/79/22/91/678792291.db2.gz ZRXJZILJMNWNQK-SNVBAGLBSA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001052535919 678792606 /nfs/dbraw/zinc/79/26/06/678792606.db2.gz ZRXJZILJMNWNQK-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC001052633343 678793222 /nfs/dbraw/zinc/79/32/22/678793222.db2.gz NCDVDNJLDCQWPV-VHSXEESVSA-N 1 1 307.358 -1.317 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)COC)C1 ZINC001057791151 678793473 /nfs/dbraw/zinc/79/34/73/678793473.db2.gz ZLWGTYDMZSWKPS-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)COC)C1 ZINC001057791151 678793477 /nfs/dbraw/zinc/79/34/77/678793477.db2.gz ZLWGTYDMZSWKPS-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057791107 678793644 /nfs/dbraw/zinc/79/36/44/678793644.db2.gz YGJSFYZFLHEAII-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057791107 678793646 /nfs/dbraw/zinc/79/36/46/678793646.db2.gz YGJSFYZFLHEAII-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057863483 678796698 /nfs/dbraw/zinc/79/66/98/678796698.db2.gz UBRZESKPYOUYCT-UHFFFAOYSA-N 1 1 302.375 -1.861 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057864346 678797121 /nfs/dbraw/zinc/79/71/21/678797121.db2.gz NQMSLSZKQGKKEE-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)c1ncn[nH]1)C1CC1 ZINC001057876365 678797269 /nfs/dbraw/zinc/79/72/69/678797269.db2.gz IAXPVIZXNUAWOR-LLVKDONJSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)c1nc[nH]n1)C1CC1 ZINC001057876365 678797272 /nfs/dbraw/zinc/79/72/72/678797272.db2.gz IAXPVIZXNUAWOR-LLVKDONJSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)c1ncn[nH]1)C1CC1 ZINC001057876366 678797347 /nfs/dbraw/zinc/79/73/47/678797347.db2.gz IAXPVIZXNUAWOR-NSHDSACASA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)c1nc[nH]n1)C1CC1 ZINC001057876366 678797352 /nfs/dbraw/zinc/79/73/52/678797352.db2.gz IAXPVIZXNUAWOR-NSHDSACASA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)CC1 ZINC001057994086 678801258 /nfs/dbraw/zinc/80/12/58/678801258.db2.gz ISYWBVFLQXJELC-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CC1 ZINC001057994086 678801262 /nfs/dbraw/zinc/80/12/62/678801262.db2.gz ISYWBVFLQXJELC-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058040191 678803096 /nfs/dbraw/zinc/80/30/96/678803096.db2.gz IJIBVGWDHCQVQK-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058057985 678804604 /nfs/dbraw/zinc/80/46/04/678804604.db2.gz NLPQZLRRNVLFSP-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058059006 678805562 /nfs/dbraw/zinc/80/55/62/678805562.db2.gz LLLYAJBBFLHKPC-UHFFFAOYSA-N 1 1 321.341 -1.439 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058060135 678805587 /nfs/dbraw/zinc/80/55/87/678805587.db2.gz NHWDPGNUAVLGBI-LBPRGKRZSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1)C1CCC1 ZINC001058058936 678805629 /nfs/dbraw/zinc/80/56/29/678805629.db2.gz JDQRZRLERHWWGY-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058059285 678805653 /nfs/dbraw/zinc/80/56/53/678805653.db2.gz XPCBOPPPTIXMJQ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001058097415 678807954 /nfs/dbraw/zinc/80/79/54/678807954.db2.gz DLJBOVCTYBXVAF-UHFFFAOYSA-N 1 1 317.386 -1.708 20 0 DAADMO Cn1ncc(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001058094618 678808079 /nfs/dbraw/zinc/80/80/79/678808079.db2.gz QBRPZTBSAGFYGV-GFCCVEGCSA-N 1 1 324.385 -1.540 20 0 DAADMO NC(=O)C(=O)NCCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001058097646 678808146 /nfs/dbraw/zinc/80/81/46/678808146.db2.gz NJRJVMPBYQEOAW-UHFFFAOYSA-N 1 1 316.358 -2.869 20 0 DAADMO Cn1ncc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001058095686 678808174 /nfs/dbraw/zinc/80/81/74/678808174.db2.gz RBZJKKPBVNZVFF-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N(CCO)CCNC(=O)C(F)F ZINC001058097615 678808206 /nfs/dbraw/zinc/80/82/06/678808206.db2.gz MKYNYXJARWWHEX-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO Cn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001058094619 678808266 /nfs/dbraw/zinc/80/82/66/678808266.db2.gz QBRPZTBSAGFYGV-LBPRGKRZSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058158017 678809280 /nfs/dbraw/zinc/80/92/80/678809280.db2.gz NGIDKEJXMYSLSN-NSHDSACASA-N 1 1 314.386 -1.859 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001058158057 678809289 /nfs/dbraw/zinc/80/92/89/678809289.db2.gz OQKCGSBCQGQHJD-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058158057 678809291 /nfs/dbraw/zinc/80/92/91/678809291.db2.gz OQKCGSBCQGQHJD-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058158057 678809294 /nfs/dbraw/zinc/80/92/94/678809294.db2.gz OQKCGSBCQGQHJD-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001058230812 678811248 /nfs/dbraw/zinc/81/12/48/678811248.db2.gz JCVLBAKVXONUQC-OWYJLGKBSA-N 1 1 311.382 -1.193 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058255059 678811837 /nfs/dbraw/zinc/81/18/37/678811837.db2.gz AOKGIUOODLKHDW-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058278311 678813137 /nfs/dbraw/zinc/81/31/37/678813137.db2.gz JTWPMHALPZLGKI-LLVKDONJSA-N 1 1 324.385 -1.384 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058278311 678813138 /nfs/dbraw/zinc/81/31/38/678813138.db2.gz JTWPMHALPZLGKI-LLVKDONJSA-N 1 1 324.385 -1.384 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058278311 678813139 /nfs/dbraw/zinc/81/31/39/678813139.db2.gz JTWPMHALPZLGKI-LLVKDONJSA-N 1 1 324.385 -1.384 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058378649 678817588 /nfs/dbraw/zinc/81/75/88/678817588.db2.gz IGAALCZMBQPIIJ-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382605 678818606 /nfs/dbraw/zinc/81/86/06/678818606.db2.gz QBSOSWITCUURSD-MNOVXSKESA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382077 678818791 /nfs/dbraw/zinc/81/87/91/678818791.db2.gz CAAVOBMCGWSWQA-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)c1=O ZINC000384704851 678826401 /nfs/dbraw/zinc/82/64/01/678826401.db2.gz LBUATLNQKALENL-NSHDSACASA-N 1 1 310.354 -1.880 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068406159 678829436 /nfs/dbraw/zinc/82/94/36/678829436.db2.gz JYNXGKLFTGRGPF-UHFFFAOYSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001068615540 678831954 /nfs/dbraw/zinc/83/19/54/678831954.db2.gz ZXRMBHBYNPJTPE-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068617750 678832118 /nfs/dbraw/zinc/83/21/18/678832118.db2.gz GRCDTODJHUDDPD-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1)C1CCC1 ZINC001068905571 678839331 /nfs/dbraw/zinc/83/93/31/678839331.db2.gz LGZNMOIIOSMACM-JTQLQIEISA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCc2cnn3c2CN(CCO)CC3)C1 ZINC001069857051 678843842 /nfs/dbraw/zinc/84/38/42/678843842.db2.gz XKYUYBCXTGZEQO-AWEZNQCLSA-N 1 1 323.397 -1.362 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCc2cnn3c2CN(CCO)CC3)C1 ZINC001069857051 678843847 /nfs/dbraw/zinc/84/38/47/678843847.db2.gz XKYUYBCXTGZEQO-AWEZNQCLSA-N 1 1 323.397 -1.362 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001069887832 678845274 /nfs/dbraw/zinc/84/52/74/678845274.db2.gz SKOFXNASXTWZHC-MCIONIFRSA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069918371 678846370 /nfs/dbraw/zinc/84/63/70/678846370.db2.gz NKZORURJKVENCY-OLZOCXBDSA-N 1 1 317.353 -1.355 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069918371 678846373 /nfs/dbraw/zinc/84/63/73/678846373.db2.gz NKZORURJKVENCY-OLZOCXBDSA-N 1 1 317.353 -1.355 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069918474 678846519 /nfs/dbraw/zinc/84/65/19/678846519.db2.gz SWFKCJSIMFLKCO-PWSUYJOCSA-N 1 1 320.357 -1.292 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069918474 678846522 /nfs/dbraw/zinc/84/65/22/678846522.db2.gz SWFKCJSIMFLKCO-PWSUYJOCSA-N 1 1 320.357 -1.292 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069919191 678846638 /nfs/dbraw/zinc/84/66/38/678846638.db2.gz BSNIYVFSLJPWFH-NEPJUHHUSA-N 1 1 320.357 -1.463 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069919191 678846642 /nfs/dbraw/zinc/84/66/42/678846642.db2.gz BSNIYVFSLJPWFH-NEPJUHHUSA-N 1 1 320.357 -1.463 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@]12C[C@H]1COC2 ZINC001069932989 678847415 /nfs/dbraw/zinc/84/74/15/678847415.db2.gz FNEFDZFNECMFNI-OPDFLTKYSA-N 1 1 307.354 -1.352 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@]12C[C@H]1COC2 ZINC001069932989 678847417 /nfs/dbraw/zinc/84/74/17/678847417.db2.gz FNEFDZFNECMFNI-OPDFLTKYSA-N 1 1 307.354 -1.352 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069926273 678847439 /nfs/dbraw/zinc/84/74/39/678847439.db2.gz XGZOVRYJAQGMLY-NEPJUHHUSA-N 1 1 317.357 -1.284 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069926073 678847667 /nfs/dbraw/zinc/84/76/67/678847667.db2.gz MENFZFGWOJAXMC-MNOVXSKESA-N 1 1 323.336 -1.334 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069926017 678847700 /nfs/dbraw/zinc/84/77/00/678847700.db2.gz JLGUBCWMKKQAKX-AXFHLTTASA-N 1 1 321.345 -2.313 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069951342 678847866 /nfs/dbraw/zinc/84/78/66/678847866.db2.gz IXUPROVZVMSMAP-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069951342 678847871 /nfs/dbraw/zinc/84/78/71/678847871.db2.gz IXUPROVZVMSMAP-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069951322 678848201 /nfs/dbraw/zinc/84/82/01/678848201.db2.gz IFXANMLYUULXNP-ZJUUUORDSA-N 1 1 321.341 -1.337 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069951322 678848204 /nfs/dbraw/zinc/84/82/04/678848204.db2.gz IFXANMLYUULXNP-ZJUUUORDSA-N 1 1 321.341 -1.337 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001069949261 678848252 /nfs/dbraw/zinc/84/82/52/678848252.db2.gz NQDNQEDTISMPNK-AEJSXWLSSA-N 1 1 321.341 -1.762 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCCNC1=O ZINC001069951337 678848333 /nfs/dbraw/zinc/84/83/33/678848333.db2.gz IVQCSNMPCONXBD-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCCNC1=O ZINC001069951337 678848337 /nfs/dbraw/zinc/84/83/37/678848337.db2.gz IVQCSNMPCONXBD-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069995558 678849422 /nfs/dbraw/zinc/84/94/22/678849422.db2.gz MYPBCVIZVLDHPN-ZJUUUORDSA-N 1 1 306.330 -1.648 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069995558 678849427 /nfs/dbraw/zinc/84/94/27/678849427.db2.gz MYPBCVIZVLDHPN-ZJUUUORDSA-N 1 1 306.330 -1.648 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)n1 ZINC001070000606 678849538 /nfs/dbraw/zinc/84/95/38/678849538.db2.gz CHGPIRSTPLPVDX-ZJUUUORDSA-N 1 1 323.336 -1.184 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)n1 ZINC001070000606 678849542 /nfs/dbraw/zinc/84/95/42/678849542.db2.gz CHGPIRSTPLPVDX-ZJUUUORDSA-N 1 1 323.336 -1.184 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1C ZINC001070008004 678850098 /nfs/dbraw/zinc/85/00/98/678850098.db2.gz LRBXTLZLZPLMFH-YPMHNXCESA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1C ZINC001070008004 678850101 /nfs/dbraw/zinc/85/01/01/678850101.db2.gz LRBXTLZLZPLMFH-YPMHNXCESA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1CNC(=O)N1 ZINC001070011783 678850458 /nfs/dbraw/zinc/85/04/58/678850458.db2.gz SWINACNAMPOEFT-AXFHLTTASA-N 1 1 323.357 -2.317 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070007177 678850572 /nfs/dbraw/zinc/85/05/72/678850572.db2.gz XTXCIKSXOCPHMH-UTUOFQBUSA-N 1 1 322.369 -1.767 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070007177 678850575 /nfs/dbraw/zinc/85/05/75/678850575.db2.gz XTXCIKSXOCPHMH-UTUOFQBUSA-N 1 1 322.369 -1.767 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012670 678850581 /nfs/dbraw/zinc/85/05/81/678850581.db2.gz IDBOXYIOISLURB-UTUOFQBUSA-N 1 1 321.385 -1.043 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070013812 678851180 /nfs/dbraw/zinc/85/11/80/678851180.db2.gz HNLQBXLYFKBKIF-UTUOFQBUSA-N 1 1 322.369 -1.326 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070013812 678851181 /nfs/dbraw/zinc/85/11/81/678851181.db2.gz HNLQBXLYFKBKIF-UTUOFQBUSA-N 1 1 322.369 -1.326 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070039838 678851821 /nfs/dbraw/zinc/85/18/21/678851821.db2.gz XQFFCUYASVFBLG-NEPJUHHUSA-N 1 1 305.342 -1.422 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070039838 678851826 /nfs/dbraw/zinc/85/18/26/678851826.db2.gz XQFFCUYASVFBLG-NEPJUHHUSA-N 1 1 305.342 -1.422 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC001070063037 678853041 /nfs/dbraw/zinc/85/30/41/678853041.db2.gz QBXVZHCXIXBTLA-UTUOFQBUSA-N 1 1 319.369 -1.034 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](n2ccnn2)C1 ZINC001070063036 678853199 /nfs/dbraw/zinc/85/31/99/678853199.db2.gz QBXVZHCXIXBTLA-TUAOUCFPSA-N 1 1 319.369 -1.034 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058788 678853259 /nfs/dbraw/zinc/85/32/59/678853259.db2.gz USNWGPFKOGQUHE-MNOVXSKESA-N 1 1 307.314 -1.037 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058788 678853261 /nfs/dbraw/zinc/85/32/61/678853261.db2.gz USNWGPFKOGQUHE-MNOVXSKESA-N 1 1 307.314 -1.037 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cccnn1 ZINC001070061678 678853272 /nfs/dbraw/zinc/85/32/72/678853272.db2.gz ROZDBXJGQNNLNE-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cccnn1 ZINC001070061678 678853274 /nfs/dbraw/zinc/85/32/74/678853274.db2.gz ROZDBXJGQNNLNE-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097557 678854850 /nfs/dbraw/zinc/85/48/50/678854850.db2.gz ZTQNVNPCTONDSN-XQQFMLRXSA-N 1 1 308.386 -1.436 20 0 DAADMO COCC(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001070112496 678854941 /nfs/dbraw/zinc/85/49/41/678854941.db2.gz CKNCONRZRGRCHN-NEPJUHHUSA-N 1 1 320.357 -1.405 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070123329 678855262 /nfs/dbraw/zinc/85/52/62/678855262.db2.gz KUQNVYDSCBNPLU-UHFFFAOYSA-N 1 1 323.353 -1.542 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070157142 678856766 /nfs/dbraw/zinc/85/67/66/678856766.db2.gz LBAAHEUXMMNOCO-NEPJUHHUSA-N 1 1 305.342 -1.043 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070164603 678857528 /nfs/dbraw/zinc/85/75/28/678857528.db2.gz IAXAPHQMZAEEOM-MNOVXSKESA-N 1 1 318.341 -1.929 20 0 DAADMO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001070308806 678864667 /nfs/dbraw/zinc/86/46/67/678864667.db2.gz IMPHAVVIJAAJET-AXFHLTTASA-N 1 1 320.357 -1.639 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001070406802 678866165 /nfs/dbraw/zinc/86/61/65/678866165.db2.gz IGHMDQJNHXHESL-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnon2)C1 ZINC001070430024 678866800 /nfs/dbraw/zinc/86/68/00/678866800.db2.gz YEOFRGRIHRQOGJ-MRVPVSSYSA-N 1 1 319.325 -1.003 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cnon2)C1 ZINC001070430024 678866803 /nfs/dbraw/zinc/86/68/03/678866803.db2.gz YEOFRGRIHRQOGJ-MRVPVSSYSA-N 1 1 319.325 -1.003 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1 ZINC001070407191 678866943 /nfs/dbraw/zinc/86/69/43/678866943.db2.gz ZVZIVWAKOYAKFZ-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@H]1CCNC1=O ZINC001070419941 678866967 /nfs/dbraw/zinc/86/69/67/678866967.db2.gz LVUSSGPUPPBDFG-JQWIXIFHSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001070557807 678868647 /nfs/dbraw/zinc/86/86/47/678868647.db2.gz GJOCLFCESQZVAC-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@H+](CC(N)=O)C1 ZINC001070598303 678870165 /nfs/dbraw/zinc/87/01/65/678870165.db2.gz XRIWMMYRHADUIT-IUCAKERBSA-N 1 1 324.341 -2.119 20 0 DAADMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@@H+](CC(N)=O)C1 ZINC001070598303 678870170 /nfs/dbraw/zinc/87/01/70/678870170.db2.gz XRIWMMYRHADUIT-IUCAKERBSA-N 1 1 324.341 -2.119 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001070758168 678873001 /nfs/dbraw/zinc/87/30/01/678873001.db2.gz RAJZOOUSBYFBIP-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070918149 678875215 /nfs/dbraw/zinc/87/52/15/678875215.db2.gz UUDCTVWUAAOFBS-UTUOFQBUSA-N 1 1 322.365 -1.012 20 0 DAADMO CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001070938211 678876553 /nfs/dbraw/zinc/87/65/53/678876553.db2.gz IXHRCBUSMCPXHO-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)[N@H+]1CCNC(=O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001070938211 678876555 /nfs/dbraw/zinc/87/65/55/678876555.db2.gz IXHRCBUSMCPXHO-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001070985221 678879900 /nfs/dbraw/zinc/87/99/00/678879900.db2.gz JJCPCPDIAQOPGU-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001070985221 678879902 /nfs/dbraw/zinc/87/99/02/678879902.db2.gz JJCPCPDIAQOPGU-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001070993866 678880570 /nfs/dbraw/zinc/88/05/70/678880570.db2.gz RKNLKBDTSPAYGI-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001070993866 678880572 /nfs/dbraw/zinc/88/05/72/678880572.db2.gz RKNLKBDTSPAYGI-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001071006916 678881035 /nfs/dbraw/zinc/88/10/35/678881035.db2.gz BLUXIDKXCHMMMV-UHFFFAOYSA-N 1 1 324.381 -1.290 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001071006916 678881037 /nfs/dbraw/zinc/88/10/37/678881037.db2.gz BLUXIDKXCHMMMV-UHFFFAOYSA-N 1 1 324.381 -1.290 20 0 DAADMO O=C(Cn1ccnc1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001071025677 678881716 /nfs/dbraw/zinc/88/17/16/678881716.db2.gz QPPMKAMFUDAEBV-UHFFFAOYSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(Cn1ccnc1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001071025677 678881718 /nfs/dbraw/zinc/88/17/18/678881718.db2.gz QPPMKAMFUDAEBV-UHFFFAOYSA-N 1 1 323.397 -1.084 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(=O)NCCN(CCO)CC2)C1 ZINC001071020487 678881747 /nfs/dbraw/zinc/88/17/47/678881747.db2.gz GIPHHYXAGWNXKR-ZDUSSCGKSA-N 1 1 312.414 -1.419 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001071010510 678881844 /nfs/dbraw/zinc/88/18/44/678881844.db2.gz OUKANHLVNUDGPS-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001071010510 678881847 /nfs/dbraw/zinc/88/18/47/678881847.db2.gz OUKANHLVNUDGPS-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(Cn1cncn1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001071019459 678881899 /nfs/dbraw/zinc/88/18/99/678881899.db2.gz MUWKDVOJPDVABX-UHFFFAOYSA-N 1 1 324.385 -1.689 20 0 DAADMO O=C(Cn1cncn1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001071019459 678881902 /nfs/dbraw/zinc/88/19/02/678881902.db2.gz MUWKDVOJPDVABX-UHFFFAOYSA-N 1 1 324.385 -1.689 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010464 678881931 /nfs/dbraw/zinc/88/19/31/678881931.db2.gz MKAUUUJPKWQDKB-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010464 678881935 /nfs/dbraw/zinc/88/19/35/678881935.db2.gz MKAUUUJPKWQDKB-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO COCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014474 678881951 /nfs/dbraw/zinc/88/19/51/678881951.db2.gz PVYMOPLIGUKAEU-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO COCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001071014474 678881956 /nfs/dbraw/zinc/88/19/56/678881956.db2.gz PVYMOPLIGUKAEU-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071134126 678883838 /nfs/dbraw/zinc/88/38/38/678883838.db2.gz NCMZPKLIEIHDHN-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071134124 678884078 /nfs/dbraw/zinc/88/40/78/678884078.db2.gz NCMZPKLIEIHDHN-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071134389 678884083 /nfs/dbraw/zinc/88/40/83/678884083.db2.gz QVNDFBHGXGGPOY-OCCSQVGLSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071206141 678884747 /nfs/dbraw/zinc/88/47/47/678884747.db2.gz FKLHAVLKIIVJPI-FZMZJTMJSA-N 1 1 322.369 -1.545 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071341053 678888046 /nfs/dbraw/zinc/88/80/46/678888046.db2.gz XSXFMBRPMPOMQL-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071341053 678888049 /nfs/dbraw/zinc/88/80/49/678888049.db2.gz XSXFMBRPMPOMQL-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001071444450 678888313 /nfs/dbraw/zinc/88/83/13/678888313.db2.gz PHCYXEHIPQTGCS-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001071444450 678888315 /nfs/dbraw/zinc/88/83/15/678888315.db2.gz PHCYXEHIPQTGCS-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071509175 678889789 /nfs/dbraw/zinc/88/97/89/678889789.db2.gz ZEKYOVXPYPBLBO-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071509175 678889793 /nfs/dbraw/zinc/88/97/93/678889793.db2.gz ZEKYOVXPYPBLBO-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CCn1cncn1 ZINC001071514798 678890334 /nfs/dbraw/zinc/89/03/34/678890334.db2.gz PEHMGAHVWRJFBV-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CCn1cncn1 ZINC001071514795 678890626 /nfs/dbraw/zinc/89/06/26/678890626.db2.gz PEHMGAHVWRJFBV-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071555232 678891491 /nfs/dbraw/zinc/89/14/91/678891491.db2.gz AKMYTCUENSGLFI-NWDGAFQWSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071553557 678891622 /nfs/dbraw/zinc/89/16/22/678891622.db2.gz MSTGUUNRYCZLQR-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071564679 678892079 /nfs/dbraw/zinc/89/20/79/678892079.db2.gz APCAXHXQOINLBJ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071581996 678894913 /nfs/dbraw/zinc/89/49/13/678894913.db2.gz QICQMVNMGXNXBC-MNOVXSKESA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[N@H+]1CCO ZINC001071619284 678895378 /nfs/dbraw/zinc/89/53/78/678895378.db2.gz MNQTYCAPZMNYPT-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C[N@H+]1CCO ZINC001071619286 678895436 /nfs/dbraw/zinc/89/54/36/678895436.db2.gz MNQTYCAPZMNYPT-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CCO ZINC001071660400 678895921 /nfs/dbraw/zinc/89/59/21/678895921.db2.gz VSGDZSUSOZUBMK-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CCO ZINC001071660399 678896079 /nfs/dbraw/zinc/89/60/79/678896079.db2.gz VSGDZSUSOZUBMK-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071788770 678897490 /nfs/dbraw/zinc/89/74/90/678897490.db2.gz JYMOVDKQMPRLQY-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC001071788770 678897496 /nfs/dbraw/zinc/89/74/96/678897496.db2.gz JYMOVDKQMPRLQY-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CCCO ZINC001071738235 678897762 /nfs/dbraw/zinc/89/77/62/678897762.db2.gz BCYCFLABFYELRL-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071792080 678897980 /nfs/dbraw/zinc/89/79/80/678897980.db2.gz DOMAEHLWGPIUOX-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001071792080 678897983 /nfs/dbraw/zinc/89/79/83/678897983.db2.gz DOMAEHLWGPIUOX-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071862723 678899939 /nfs/dbraw/zinc/89/99/39/678899939.db2.gz YYCGNAQSDLXWLH-MNOVXSKESA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[N@H+]1CCCO ZINC001071900597 678900456 /nfs/dbraw/zinc/90/04/56/678900456.db2.gz KLJYSPUZZFOUNT-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[N@H+]1CCO ZINC001071987191 678903113 /nfs/dbraw/zinc/90/31/13/678903113.db2.gz BLWCZKDWLRYESP-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033466 678904585 /nfs/dbraw/zinc/90/45/85/678904585.db2.gz NGCIGKIWABSQLQ-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033466 678904590 /nfs/dbraw/zinc/90/45/90/678904590.db2.gz NGCIGKIWABSQLQ-MWLCHTKSSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CCCO ZINC001072055622 678904962 /nfs/dbraw/zinc/90/49/62/678904962.db2.gz WUTGMEBQSVEEFK-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001072061824 678905173 /nfs/dbraw/zinc/90/51/73/678905173.db2.gz JTFBWBVDHGKRBE-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001072061824 678905172 /nfs/dbraw/zinc/90/51/72/678905172.db2.gz JTFBWBVDHGKRBE-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001200352205 782196374 /nfs/dbraw/zinc/19/63/74/782196374.db2.gz RYWYUVWNHJRAEB-NSHDSACASA-N 1 1 311.342 -1.087 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001200351196 782196581 /nfs/dbraw/zinc/19/65/81/782196581.db2.gz GXZCLFAJTMJUBY-NSHDSACASA-N 1 1 324.385 -1.044 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001200352261 782196687 /nfs/dbraw/zinc/19/66/87/782196687.db2.gz SWCSAVRGGDBXTK-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001200353151 782197877 /nfs/dbraw/zinc/19/78/77/782197877.db2.gz ZFRBJDJKUXNRHP-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO CN1C[C@@]2(CC1=O)COCC[N@H+](CC(=O)N1CCN(C)CC1)C2 ZINC001273836163 782199761 /nfs/dbraw/zinc/19/97/61/782199761.db2.gz OJMYGUXSKMUOQS-MRXNPFEDSA-N 1 1 324.425 -1.059 20 0 DAADMO CN1C[C@@]2(CC1=O)COCC[N@@H+](CC(=O)N1CCN(C)CC1)C2 ZINC001273836163 782199764 /nfs/dbraw/zinc/19/97/64/782199764.db2.gz OJMYGUXSKMUOQS-MRXNPFEDSA-N 1 1 324.425 -1.059 20 0 DAADMO O=C(C[N@@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2)NC1CC1 ZINC001273836718 782200719 /nfs/dbraw/zinc/20/07/19/782200719.db2.gz VQROMMXGRDCBIB-HNNXBMFYSA-N 1 1 309.366 -1.033 20 0 DAADMO O=C(C[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2)NC1CC1 ZINC001273836718 782200725 /nfs/dbraw/zinc/20/07/25/782200725.db2.gz VQROMMXGRDCBIB-HNNXBMFYSA-N 1 1 309.366 -1.033 20 0 DAADMO CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111567234 782206682 /nfs/dbraw/zinc/20/66/82/782206682.db2.gz VLZFNSJKHCUUIB-ZOWXZIJZSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001110557248 782207855 /nfs/dbraw/zinc/20/78/55/782207855.db2.gz JNIWINYNKDYTEF-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)NC(N)=O)C2 ZINC001110557248 782207861 /nfs/dbraw/zinc/20/78/61/782207861.db2.gz JNIWINYNKDYTEF-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1ncc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001201306574 782215640 /nfs/dbraw/zinc/21/56/40/782215640.db2.gz UPVAAVKIQTUWNH-AGIUHOORSA-N 1 1 301.354 -1.294 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1)C(N)=O ZINC001201431468 782218356 /nfs/dbraw/zinc/21/83/56/782218356.db2.gz XTKXLDPYSQDYPV-CMPLNLGQSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1)C(N)=O ZINC001201431468 782218361 /nfs/dbraw/zinc/21/83/61/782218361.db2.gz XTKXLDPYSQDYPV-CMPLNLGQSA-N 1 1 324.385 -1.182 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201925428 782223948 /nfs/dbraw/zinc/22/39/48/782223948.db2.gz MNFRSEXAFYVJAZ-UHFFFAOYSA-N 1 1 309.330 -1.498 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001201976093 782223977 /nfs/dbraw/zinc/22/39/77/782223977.db2.gz IKPYTMYZWPXQCR-VIFPVBQESA-N 1 1 309.374 -1.198 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001201931671 782224200 /nfs/dbraw/zinc/22/42/00/782224200.db2.gz RWRJEFFMWZFTAU-QMMMGPOBSA-N 1 1 323.357 -1.109 20 0 DAADMO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1nnc2n1CCOC2 ZINC001273919289 782226065 /nfs/dbraw/zinc/22/60/65/782226065.db2.gz ONJUVEHRNAUYFH-OWOJBTEDSA-N 1 1 308.342 -1.554 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115210103 782237541 /nfs/dbraw/zinc/23/75/41/782237541.db2.gz AGIZLOUUXQGLNX-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001110619245 782234508 /nfs/dbraw/zinc/23/45/08/782234508.db2.gz UHBMTWCFHRYHEY-QCNOEVLYSA-N 1 1 319.427 -1.020 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110620588 782234637 /nfs/dbraw/zinc/23/46/37/782234637.db2.gz KMIQKAZFUMRXAA-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001110630453 782235064 /nfs/dbraw/zinc/23/50/64/782235064.db2.gz CPGQUGZEEBYPAY-UTUOFQBUSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001110630453 782235071 /nfs/dbraw/zinc/23/50/71/782235071.db2.gz CPGQUGZEEBYPAY-UTUOFQBUSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC ZINC001110631736 782236073 /nfs/dbraw/zinc/23/60/73/782236073.db2.gz LJXPPSRLHORVAY-DBIOUOCHSA-N 1 1 311.386 -1.229 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC ZINC001110631736 782236082 /nfs/dbraw/zinc/23/60/82/782236082.db2.gz LJXPPSRLHORVAY-DBIOUOCHSA-N 1 1 311.386 -1.229 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631628 782236335 /nfs/dbraw/zinc/23/63/35/782236335.db2.gz GUJLJPKTWSDYOG-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631628 782236344 /nfs/dbraw/zinc/23/63/44/782236344.db2.gz GUJLJPKTWSDYOG-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCNC(=O)C1CC1 ZINC001114372395 782244450 /nfs/dbraw/zinc/24/44/50/782244450.db2.gz VWWUKUCOYQTFBS-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCNC(=O)C1CC1 ZINC001114372395 782244454 /nfs/dbraw/zinc/24/44/54/782244454.db2.gz VWWUKUCOYQTFBS-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398180 782244854 /nfs/dbraw/zinc/24/48/54/782244854.db2.gz BABCYUQQNUGZPT-DCQANWLSSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114319495 782239840 /nfs/dbraw/zinc/23/98/40/782239840.db2.gz NCYHDJKNBYNGBH-GOONRYMUSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114319495 782239846 /nfs/dbraw/zinc/23/98/46/782239846.db2.gz NCYHDJKNBYNGBH-GOONRYMUSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398180 782244860 /nfs/dbraw/zinc/24/48/60/782244860.db2.gz BABCYUQQNUGZPT-DCQANWLSSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114335779 782240806 /nfs/dbraw/zinc/24/08/06/782240806.db2.gz BHJDWSRHCIJYNJ-REIXXSIJSA-N 1 1 321.341 -2.092 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114335779 782240812 /nfs/dbraw/zinc/24/08/12/782240812.db2.gz BHJDWSRHCIJYNJ-REIXXSIJSA-N 1 1 321.341 -2.092 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336594 782240917 /nfs/dbraw/zinc/24/09/17/782240917.db2.gz RLILLASHBSPNGF-VROVMSAKSA-N 1 1 307.314 -2.481 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336594 782240924 /nfs/dbraw/zinc/24/09/24/782240924.db2.gz RLILLASHBSPNGF-VROVMSAKSA-N 1 1 307.314 -2.481 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364026 782241388 /nfs/dbraw/zinc/24/13/88/782241388.db2.gz OWMXZRSCXNHKMG-MEWQQHAOSA-N 1 1 319.427 -1.041 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114363681 782241550 /nfs/dbraw/zinc/24/15/50/782241550.db2.gz IQJBZDYAEAZVGO-IAZYJMLFSA-N 1 1 305.400 -1.646 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114373624 782242829 /nfs/dbraw/zinc/24/28/29/782242829.db2.gz HVPSJDDGIPHJJS-MTBHXBHISA-N 1 1 312.330 -2.843 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114373624 782242833 /nfs/dbraw/zinc/24/28/33/782242833.db2.gz HVPSJDDGIPHJJS-MTBHXBHISA-N 1 1 312.330 -2.843 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001114376670 782243801 /nfs/dbraw/zinc/24/38/01/782243801.db2.gz QKSPXDKMILTTKZ-PJXYFTJBSA-N 1 1 306.370 -1.142 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC001114411390 782246891 /nfs/dbraw/zinc/24/68/91/782246891.db2.gz CYTLUGKXKHGKKP-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114433399 782247882 /nfs/dbraw/zinc/24/78/82/782247882.db2.gz KAOZNIHTDOTGFY-YTWAJWBKSA-N 1 1 308.382 -1.177 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncs1 ZINC001114434332 782247734 /nfs/dbraw/zinc/24/77/34/782247734.db2.gz VFQWXHHXFHFJFP-GDGBQDQQSA-N 1 1 323.378 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncs1 ZINC001114434332 782247743 /nfs/dbraw/zinc/24/77/43/782247743.db2.gz VFQWXHHXFHFJFP-GDGBQDQQSA-N 1 1 323.378 -1.073 20 0 DAADMO CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114403449 782245501 /nfs/dbraw/zinc/24/55/01/782245501.db2.gz SGZMOYYVDARKFV-RFQIPJPRSA-N 1 1 307.398 -1.148 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001098360187 782245641 /nfs/dbraw/zinc/24/56/41/782245641.db2.gz ZUUKYWZENLBJFD-JTQLQIEISA-N 1 1 314.342 -2.135 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114444685 782249032 /nfs/dbraw/zinc/24/90/32/782249032.db2.gz AIVHFLWBRZYATL-HBYGRHMLSA-N 1 1 321.381 -1.271 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114444685 782249038 /nfs/dbraw/zinc/24/90/38/782249038.db2.gz AIVHFLWBRZYATL-HBYGRHMLSA-N 1 1 321.381 -1.271 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114438631 782249189 /nfs/dbraw/zinc/24/91/89/782249189.db2.gz FNVFOPSPDCFIQL-URLYPYJESA-N 1 1 306.370 -1.164 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001114434054 782248104 /nfs/dbraw/zinc/24/81/04/782248104.db2.gz PVVXLKJYCAPYIO-DCQANWLSSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001114434054 782248111 /nfs/dbraw/zinc/24/81/11/782248111.db2.gz PVVXLKJYCAPYIO-DCQANWLSSA-N 1 1 308.382 -1.305 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436322 782248306 /nfs/dbraw/zinc/24/83/06/782248306.db2.gz FMVNMGOMFMKRKD-DCQANWLSSA-N 1 1 308.338 -1.151 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114432512 782248351 /nfs/dbraw/zinc/24/83/51/782248351.db2.gz BZYOKUMVNNQQJE-QMSLJYSESA-N 1 1 311.342 -2.261 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114432512 782248357 /nfs/dbraw/zinc/24/83/57/782248357.db2.gz BZYOKUMVNNQQJE-QMSLJYSESA-N 1 1 311.342 -2.261 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)C(N)=O)C1=O ZINC001114440796 782248623 /nfs/dbraw/zinc/24/86/23/782248623.db2.gz WVFWSMUXYZBFBA-ZRUFSTJUSA-N 1 1 308.382 -1.225 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)C(N)=O)C1=O ZINC001114440795 782248768 /nfs/dbraw/zinc/24/87/68/782248768.db2.gz WVFWSMUXYZBFBA-YTWAJWBKSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114436586 782249610 /nfs/dbraw/zinc/24/96/10/782249610.db2.gz KDAMZJOMCGIXGI-LOKLDPHHSA-N 1 1 322.365 -1.651 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715054 782249919 /nfs/dbraw/zinc/24/99/19/782249919.db2.gz JKMNSPOGAUNHPH-MRVPVSSYSA-N 1 1 316.362 -2.063 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715054 782249927 /nfs/dbraw/zinc/24/99/27/782249927.db2.gz JKMNSPOGAUNHPH-MRVPVSSYSA-N 1 1 316.362 -2.063 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)S(C)(=O)=O ZINC001114473682 782250459 /nfs/dbraw/zinc/25/04/59/782250459.db2.gz FJVBYQXIEZYUPR-NNYUYHANSA-N 1 1 320.411 -1.525 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)S(C)(=O)=O ZINC001114473682 782250467 /nfs/dbraw/zinc/25/04/67/782250467.db2.gz FJVBYQXIEZYUPR-NNYUYHANSA-N 1 1 320.411 -1.525 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153720578 782250941 /nfs/dbraw/zinc/25/09/41/782250941.db2.gz LQWQWEBHLAQMEU-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153720578 782250949 /nfs/dbraw/zinc/25/09/49/782250949.db2.gz LQWQWEBHLAQMEU-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436867 782249298 /nfs/dbraw/zinc/24/92/98/782249298.db2.gz PFKVKAXWYTYVHN-IWIIMEHWSA-N 1 1 305.338 -1.022 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436867 782249306 /nfs/dbraw/zinc/24/93/06/782249306.db2.gz PFKVKAXWYTYVHN-IWIIMEHWSA-N 1 1 305.338 -1.022 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001114480292 782251392 /nfs/dbraw/zinc/25/13/92/782251392.db2.gz KYVAJNJNLUFCNQ-JYAVWHMHSA-N 1 1 310.398 -1.059 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001114480667 782251638 /nfs/dbraw/zinc/25/16/38/782251638.db2.gz SJFQLHGZHLXBIM-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114480667 782251641 /nfs/dbraw/zinc/25/16/41/782251641.db2.gz SJFQLHGZHLXBIM-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O ZINC001114478369 782251792 /nfs/dbraw/zinc/25/17/92/782251792.db2.gz UPSDBGPMMVOSDC-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O ZINC001114478369 782251799 /nfs/dbraw/zinc/25/17/99/782251799.db2.gz UPSDBGPMMVOSDC-DCQANWLSSA-N 1 1 320.411 -1.525 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338212 782257458 /nfs/dbraw/zinc/25/74/58/782257458.db2.gz NRXDZNVHIDDYAN-JXUBOQSCSA-N 1 1 308.342 -1.421 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338212 782257463 /nfs/dbraw/zinc/25/74/63/782257463.db2.gz NRXDZNVHIDDYAN-JXUBOQSCSA-N 1 1 308.342 -1.421 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338329 782257670 /nfs/dbraw/zinc/25/76/70/782257670.db2.gz UTVAWARTMGAECP-VWYCJHECSA-N 1 1 322.369 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338329 782257677 /nfs/dbraw/zinc/25/76/77/782257677.db2.gz UTVAWARTMGAECP-VWYCJHECSA-N 1 1 322.369 -1.207 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338418 782257992 /nfs/dbraw/zinc/25/79/92/782257992.db2.gz YGBPWIWBNQZPCI-RCWTZXSCSA-N 1 1 322.369 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338418 782258004 /nfs/dbraw/zinc/25/80/04/782258004.db2.gz YGBPWIWBNQZPCI-RCWTZXSCSA-N 1 1 322.369 -1.031 20 0 DAADMO CNC(=O)NCCC(=O)NC/C=C/C[NH2+]Cc1cn(C)nn1 ZINC001273999589 782258062 /nfs/dbraw/zinc/25/80/62/782258062.db2.gz XYMJGBJZXBTKIF-ONEGZZNKSA-N 1 1 309.374 -1.104 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274051470 782259079 /nfs/dbraw/zinc/25/90/79/782259079.db2.gz GKRQVUYESNXQEY-HUBLWGQQSA-N 1 1 311.382 -1.051 20 0 DAADMO COc1cncc(C[NH2+]C/C=C/CNC(=O)Cn2ncnn2)n1 ZINC001274028021 782259879 /nfs/dbraw/zinc/25/98/79/782259879.db2.gz ZDMDIARHNLLKKX-NSCUHMNNSA-N 1 1 318.341 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001274061908 782260569 /nfs/dbraw/zinc/26/05/69/782260569.db2.gz OSEVKYSLSSKNEL-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001274061908 782260579 /nfs/dbraw/zinc/26/05/79/782260579.db2.gz OSEVKYSLSSKNEL-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062707 782261584 /nfs/dbraw/zinc/26/15/84/782261584.db2.gz VUKJYDPTRUMPGZ-CQSZACIVSA-N 1 1 310.354 -1.551 20 0 DAADMO COC[C@@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062139 782261758 /nfs/dbraw/zinc/26/17/58/782261758.db2.gz MOXGPQFEDZVCLY-HZMBPMFUSA-N 1 1 313.354 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274074054 782263421 /nfs/dbraw/zinc/26/34/21/782263421.db2.gz RVLKNVHGDQOMEB-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061810 782263444 /nfs/dbraw/zinc/26/34/44/782263444.db2.gz MZIORATVXWVDJI-CQSZACIVSA-N 1 1 320.353 -1.359 20 0 DAADMO NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001274061684 782263514 /nfs/dbraw/zinc/26/35/14/782263514.db2.gz LJNWBTRDMCLFTI-GHMZBOCLSA-N 1 1 308.382 -1.031 20 0 DAADMO CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072916 782263680 /nfs/dbraw/zinc/26/36/80/782263680.db2.gz IMFDOSYMUKTPEU-BMIGLBTASA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061585 782263738 /nfs/dbraw/zinc/26/37/38/782263738.db2.gz FFUAHKDLYKUWNG-OTYXRUKQSA-N 1 1 310.354 -1.423 20 0 DAADMO C[C@H](CO)C[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274071459 782265023 /nfs/dbraw/zinc/26/50/23/782265023.db2.gz HSJZAKGHAAJONU-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(CC(OC)OC)C(=O)CO2 ZINC001274072094 782265257 /nfs/dbraw/zinc/26/52/57/782265257.db2.gz NOWBNPBRQIJQBV-AWEZNQCLSA-N 1 1 315.370 -1.345 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(CC(OC)OC)C(=O)CO2 ZINC001274072094 782265263 /nfs/dbraw/zinc/26/52/63/782265263.db2.gz NOWBNPBRQIJQBV-AWEZNQCLSA-N 1 1 315.370 -1.345 20 0 DAADMO CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072924 782263330 /nfs/dbraw/zinc/26/33/30/782263330.db2.gz IMFDOSYMUKTPEU-ZUZCIYMTSA-N 1 1 324.381 -1.163 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C[C@H]12 ZINC001274232126 782270148 /nfs/dbraw/zinc/27/01/48/782270148.db2.gz APSLWYQKPIIXCI-QJPTWQEYSA-N 1 1 323.397 -1.466 20 0 DAADMO Cc1nnc(CC(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)[nH]1 ZINC001098363854 782268324 /nfs/dbraw/zinc/26/83/24/782268324.db2.gz CXWMTJUHSAAZRC-UHFFFAOYSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001099949939 782269549 /nfs/dbraw/zinc/26/95/49/782269549.db2.gz WMYSWIJPKNHLRN-ZUWCUPBKSA-N 1 1 314.382 -1.561 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001274078571 782265925 /nfs/dbraw/zinc/26/59/25/782265925.db2.gz PBBIURSIAVHTGO-HNNXBMFYSA-N 1 1 321.381 -1.031 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001274078571 782265936 /nfs/dbraw/zinc/26/59/36/782265936.db2.gz PBBIURSIAVHTGO-HNNXBMFYSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2cn[nH]c(=O)c2)nc1=O ZINC001274111811 782266129 /nfs/dbraw/zinc/26/61/29/782266129.db2.gz CVLLUJSRRBJRGY-IHWYPQMZSA-N 1 1 319.325 -1.320 20 0 DAADMO Cn1cc(C[NH2+]C/C=C\CNC(=O)c2cc(=O)n(C)cn2)nn1 ZINC001274096759 782266166 /nfs/dbraw/zinc/26/61/66/782266166.db2.gz ILKWVZKMHUKVOR-ARJAWSKDSA-N 1 1 317.353 -1.015 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274074479 782266238 /nfs/dbraw/zinc/26/62/38/782266238.db2.gz VQYYABIDGZNBBX-CQSZACIVSA-N 1 1 322.369 -1.636 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274074479 782266243 /nfs/dbraw/zinc/26/62/43/782266243.db2.gz VQYYABIDGZNBBX-CQSZACIVSA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C\CNC(=O)c1c[nH]c(=O)cn1 ZINC001274318848 782275249 /nfs/dbraw/zinc/27/52/49/782275249.db2.gz UCUWDMZXKZLMDK-IHWYPQMZSA-N 1 1 303.326 -1.026 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001274405595 782276358 /nfs/dbraw/zinc/27/63/58/782276358.db2.gz WRFUYLZEZOQOQF-HPOULIHZSA-N 1 1 321.341 -1.825 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCn2c(nnc2C(N)=O)C1 ZINC001274233218 782270208 /nfs/dbraw/zinc/27/02/08/782270208.db2.gz MFBNJVQQOHJDIJ-VIFPVBQESA-N 1 1 307.358 -2.035 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O)S(N)(=O)=O ZINC001154468967 782270504 /nfs/dbraw/zinc/27/05/04/782270504.db2.gz IITJJLQISGVFHM-ZJUUUORDSA-N 1 1 322.431 -1.245 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O)S(N)(=O)=O ZINC001154468967 782270508 /nfs/dbraw/zinc/27/05/08/782270508.db2.gz IITJJLQISGVFHM-ZJUUUORDSA-N 1 1 322.431 -1.245 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCCO[C@H]2[C@@H](C(N)=O)C1 ZINC001274232305 782270764 /nfs/dbraw/zinc/27/07/64/782270764.db2.gz CIGJSEDZOVDPFP-XJFOESAGSA-N 1 1 324.425 -1.029 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(N)=O ZINC001274232373 782270915 /nfs/dbraw/zinc/27/09/15/782270915.db2.gz DDCBEHHOBIBXND-OFTGVCEQSA-N 1 1 310.398 -1.542 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2C[C@H](CC(N)=O)O[C@H]2C1 ZINC001274233681 782271258 /nfs/dbraw/zinc/27/12/58/782271258.db2.gz RZDIPFBPGOSOPK-LPWJVIDDSA-N 1 1 310.398 -1.277 20 0 DAADMO C[NH+]1CCN(C(=O)N2CC3(C2)COCC(=O)N3C2COC2)CC1 ZINC001274252095 782272445 /nfs/dbraw/zinc/27/24/45/782272445.db2.gz YBLHNPHQNWVWLQ-UHFFFAOYSA-N 1 1 324.381 -1.334 20 0 DAADMO Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)C(N)=O)CC2)nc1 ZINC001274549827 782282012 /nfs/dbraw/zinc/28/20/12/782282012.db2.gz CZXLVLDTFRRFEY-UHFFFAOYSA-N 1 1 307.354 -1.287 20 0 DAADMO COCCCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563826 782282385 /nfs/dbraw/zinc/28/23/85/782282385.db2.gz CEBRDSGTYUAKAE-GXTWGEPZSA-N 1 1 302.371 -1.321 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)CO ZINC001274566144 782282654 /nfs/dbraw/zinc/28/26/54/782282654.db2.gz WNCQYOBNDKCXDN-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274564452 782283164 /nfs/dbraw/zinc/28/31/64/782283164.db2.gz FXKMOMKWNNZEOU-OSAQELSMSA-N 1 1 314.382 -1.132 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564452 782283169 /nfs/dbraw/zinc/28/31/69/782283169.db2.gz FXKMOMKWNNZEOU-OSAQELSMSA-N 1 1 314.382 -1.132 20 0 DAADMO O=C1CO[C@@]2(CC[N@H+](C[C@H](O)CO)C2)CN1Cc1ncccn1 ZINC001274564676 782283919 /nfs/dbraw/zinc/28/39/19/782283919.db2.gz LLMNYPIEFUAVFA-SWLSCSKDSA-N 1 1 322.365 -1.367 20 0 DAADMO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274564453 782284068 /nfs/dbraw/zinc/28/40/68/782284068.db2.gz FXKMOMKWNNZEOU-WHOFXGATSA-N 1 1 314.382 -1.132 20 0 DAADMO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564453 782284074 /nfs/dbraw/zinc/28/40/74/782284074.db2.gz FXKMOMKWNNZEOU-WHOFXGATSA-N 1 1 314.382 -1.132 20 0 DAADMO CNC(=O)C(C)(C)N1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274570150 782284590 /nfs/dbraw/zinc/28/45/90/782284590.db2.gz XBQXPHFZILLXSU-NHYWBVRUSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C1CC[C@H](CN2CC[C@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)N1 ZINC001274569540 782284753 /nfs/dbraw/zinc/28/47/53/782284753.db2.gz FKGLKCAXKFWFJB-XUJVJEKNSA-N 1 1 311.382 -1.457 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCOCCO ZINC001274633049 782287130 /nfs/dbraw/zinc/28/71/30/782287130.db2.gz DOXOMXGVFRQWAJ-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](CCOCC3CC3)C2)CC1 ZINC001274474422 782279063 /nfs/dbraw/zinc/27/90/63/782279063.db2.gz MRWULIQLQSXXOA-UHFFFAOYSA-N 1 1 310.398 -1.273 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001274698204 782290711 /nfs/dbraw/zinc/29/07/11/782290711.db2.gz QLLOFQYFQUENEQ-NXEZZACHSA-N 1 1 321.337 -1.077 20 0 DAADMO NC(=O)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)Cc2ccnn21 ZINC001274697505 782290763 /nfs/dbraw/zinc/29/07/63/782290763.db2.gz KUWKXOFWVWJSJF-VXGBXAGGSA-N 1 1 307.354 -1.292 20 0 DAADMO NC(=O)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)Cc2ccnn21 ZINC001274697505 782290770 /nfs/dbraw/zinc/29/07/70/782290770.db2.gz KUWKXOFWVWJSJF-VXGBXAGGSA-N 1 1 307.354 -1.292 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001274697013 782291118 /nfs/dbraw/zinc/29/11/18/782291118.db2.gz GFOPESBUMRQWPU-HEHGZKQESA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@H]2C[C@]21C(=O)NCC1COC1 ZINC001274697013 782291127 /nfs/dbraw/zinc/29/11/27/782291127.db2.gz GFOPESBUMRQWPU-HEHGZKQESA-N 1 1 323.393 -1.193 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274696828 782291419 /nfs/dbraw/zinc/29/14/19/782291419.db2.gz DQRZLPMAASZTLP-ZYHUDNBSSA-N 1 1 321.381 -1.119 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274696828 782291425 /nfs/dbraw/zinc/29/14/25/782291425.db2.gz DQRZLPMAASZTLP-ZYHUDNBSSA-N 1 1 321.381 -1.119 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001274697015 782291499 /nfs/dbraw/zinc/29/14/99/782291499.db2.gz GFOPESBUMRQWPU-WWGRRREGSA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@@H]2C[C@@]21C(=O)NCC1COC1 ZINC001274697015 782291505 /nfs/dbraw/zinc/29/15/05/782291505.db2.gz GFOPESBUMRQWPU-WWGRRREGSA-N 1 1 323.393 -1.193 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](O)C2)C[C@H]2CCCO[C@H]21 ZINC001274699034 782291622 /nfs/dbraw/zinc/29/16/22/782291622.db2.gz YBZWTPZGONXBPI-OWTLIXCDSA-N 1 1 311.382 -1.208 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](O)C2)C[C@H]2CCCO[C@H]21 ZINC001274699034 782291625 /nfs/dbraw/zinc/29/16/25/782291625.db2.gz YBZWTPZGONXBPI-OWTLIXCDSA-N 1 1 311.382 -1.208 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274698692 782291686 /nfs/dbraw/zinc/29/16/86/782291686.db2.gz VGADSPKIISATMF-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001274698692 782291692 /nfs/dbraw/zinc/29/16/92/782291692.db2.gz VGADSPKIISATMF-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO NC(=O)[C@@H]1CCn2nccc2CN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274698402 782291857 /nfs/dbraw/zinc/29/18/57/782291857.db2.gz SVNCLNCYYFOXCZ-RYUDHWBXSA-N 1 1 307.354 -1.464 20 0 DAADMO NC(=O)[C@@H]1CCn2nccc2CN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274698402 782291863 /nfs/dbraw/zinc/29/18/63/782291863.db2.gz SVNCLNCYYFOXCZ-RYUDHWBXSA-N 1 1 307.354 -1.464 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274791866 782294042 /nfs/dbraw/zinc/29/40/42/782294042.db2.gz SUFLWFVMDYGFMD-APPZFPTMSA-N 1 1 309.330 -1.993 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)C(N)=O)CC2)C1 ZINC001274868097 782295903 /nfs/dbraw/zinc/29/59/03/782295903.db2.gz SSEZNIBUHIHQLH-NSHDSACASA-N 1 1 315.370 -1.828 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299413309 782301259 /nfs/dbraw/zinc/30/12/59/782301259.db2.gz FGRUFHGFCOFANW-UHFFFAOYSA-N 1 1 324.385 -1.405 20 0 DAADMO CC[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275079779 782302666 /nfs/dbraw/zinc/30/26/66/782302666.db2.gz USMTXIUQLLDEFT-TYCYOEEFSA-N 1 1 302.327 -2.907 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001275115786 782302855 /nfs/dbraw/zinc/30/28/55/782302855.db2.gz QWTSQZJMWXYNKE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001275079179 782303250 /nfs/dbraw/zinc/30/32/50/782303250.db2.gz ISAYNQDNDUJPIJ-BBDLJKNJSA-N 1 1 316.354 -2.661 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001275166748 782304541 /nfs/dbraw/zinc/30/45/41/782304541.db2.gz DZIYLCCUOMGMIP-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001274924289 782298189 /nfs/dbraw/zinc/29/81/89/782298189.db2.gz PJRDOLNXKCOEAA-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001275374649 782308037 /nfs/dbraw/zinc/30/80/37/782308037.db2.gz DUKNVMWSHXUYBN-IUCAKERBSA-N 1 1 310.358 -1.334 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275433146 782310457 /nfs/dbraw/zinc/31/04/57/782310457.db2.gz IQPOZIVDSBPESQ-DTWKUNHWSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529449 782310978 /nfs/dbraw/zinc/31/09/78/782310978.db2.gz UNYZECCBAPPGOJ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529449 782310988 /nfs/dbraw/zinc/31/09/88/782310988.db2.gz UNYZECCBAPPGOJ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529448 782311143 /nfs/dbraw/zinc/31/11/43/782311143.db2.gz UNYZECCBAPPGOJ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529448 782311152 /nfs/dbraw/zinc/31/11/52/782311152.db2.gz UNYZECCBAPPGOJ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](C[N@H+](C)CCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001275529943 782311168 /nfs/dbraw/zinc/31/11/68/782311168.db2.gz ZAWXLRBNVOHNOU-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001275529943 782311176 /nfs/dbraw/zinc/31/11/76/782311176.db2.gz ZAWXLRBNVOHNOU-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001275551442 782312509 /nfs/dbraw/zinc/31/25/09/782312509.db2.gz HSWYKHMBBMASOO-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551442 782312527 /nfs/dbraw/zinc/31/25/27/782312527.db2.gz HSWYKHMBBMASOO-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275551442 782312537 /nfs/dbraw/zinc/31/25/37/782312537.db2.gz HSWYKHMBBMASOO-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001275565342 782312692 /nfs/dbraw/zinc/31/26/92/782312692.db2.gz GWYHDMAKNHWIJA-ZJUUUORDSA-N 1 1 312.370 -1.294 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001275565342 782312700 /nfs/dbraw/zinc/31/27/00/782312700.db2.gz GWYHDMAKNHWIJA-ZJUUUORDSA-N 1 1 312.370 -1.294 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001275543891 782312826 /nfs/dbraw/zinc/31/28/26/782312826.db2.gz GXBNMAGOKIBJGO-WCBMZHEXSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)[NH2+]Cc1cnon1 ZINC001275541878 782312997 /nfs/dbraw/zinc/31/29/97/782312997.db2.gz QWNSAOORUHHKRZ-RKDXNWHRSA-N 1 1 324.341 -1.054 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001275535915 782313713 /nfs/dbraw/zinc/31/37/13/782313713.db2.gz ZZKOIQCAIUAWLP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275689807 782315499 /nfs/dbraw/zinc/31/54/99/782315499.db2.gz NKNXDTYTOQWFSX-PWSUYJOCSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001275712104 782316869 /nfs/dbraw/zinc/31/68/69/782316869.db2.gz DTTSTBMKTOXYGP-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275774632 782318511 /nfs/dbraw/zinc/31/85/11/782318511.db2.gz SDMPDAHVWGFLMK-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001275793839 782318818 /nfs/dbraw/zinc/31/88/18/782318818.db2.gz WEKNKCWNHJDZJK-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001275793839 782318826 /nfs/dbraw/zinc/31/88/26/782318826.db2.gz WEKNKCWNHJDZJK-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO Cn1nnnc1NC(=O)C12CC(NC(=O)C[NH+]3CCC3)(C1)C2 ZINC001275977546 782325066 /nfs/dbraw/zinc/32/50/66/782325066.db2.gz BCPJYQONIQKRFC-UHFFFAOYSA-N 1 1 305.342 -1.107 20 0 DAADMO O=C(C[NH+]1CCC1)N1C[C@H]2C[C@@]2(C(=O)NCCn2ccnn2)C1 ZINC001275981895 782325104 /nfs/dbraw/zinc/32/51/04/782325104.db2.gz DKFRBSCNGNUFPI-IUODEOHRSA-N 1 1 318.381 -1.052 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275835955 782319183 /nfs/dbraw/zinc/31/91/83/782319183.db2.gz QGLXKVFEUDDTLE-JTQLQIEISA-N 1 1 323.357 -1.741 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275812433 782319606 /nfs/dbraw/zinc/31/96/06/782319606.db2.gz YJSKCDRQRPMYGI-NXEZZACHSA-N 1 1 312.370 -1.246 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275897381 782320566 /nfs/dbraw/zinc/32/05/66/782320566.db2.gz MRAMCNQYKNYKBK-QMMMGPOBSA-N 1 1 323.357 -1.285 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001275954829 782325140 /nfs/dbraw/zinc/32/51/40/782325140.db2.gz FEQMGHMAYZIEOT-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275919757 782322365 /nfs/dbraw/zinc/32/23/65/782322365.db2.gz FXSGRLJQTDMQNO-WCBMZHEXSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@@H](CNC(=O)C1(C(N)=O)CC1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001275921472 782322443 /nfs/dbraw/zinc/32/24/43/782322443.db2.gz SROLLFWNAYGWRJ-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275919758 782323213 /nfs/dbraw/zinc/32/32/13/782323213.db2.gz FXSGRLJQTDMQNO-WPRPVWTQSA-N 1 1 323.353 -1.019 20 0 DAADMO O=C(C[NH+]1CCC1)N1C[C@@H]2C(C(=O)NCC3COC3)=NO[C@@H]2C1 ZINC001275982967 782325256 /nfs/dbraw/zinc/32/52/56/782325256.db2.gz SNUGEMGIRKZDIE-NWDGAFQWSA-N 1 1 322.365 -1.332 20 0 DAADMO O=C(C[NH+]1CCC1)N1C[C@@H]2C(C(=O)Nc3nnco3)=NO[C@@H]2C1 ZINC001275982191 782325995 /nfs/dbraw/zinc/32/59/95/782325995.db2.gz HYCLMOWUNILMKB-DTWKUNHWSA-N 1 1 320.309 -1.073 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001275992433 782326730 /nfs/dbraw/zinc/32/67/30/782326730.db2.gz ATUCCJHSDHEQCL-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001275992433 782326739 /nfs/dbraw/zinc/32/67/39/782326739.db2.gz ATUCCJHSDHEQCL-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001275992447 782327061 /nfs/dbraw/zinc/32/70/61/782327061.db2.gz ATUCCJHSDHEQCL-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001275992447 782327063 /nfs/dbraw/zinc/32/70/63/782327063.db2.gz ATUCCJHSDHEQCL-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)CCOCCO ZINC001276011528 782327443 /nfs/dbraw/zinc/32/74/43/782327443.db2.gz MPXVAZDCUOKPMI-NSHDSACASA-N 1 1 314.386 -1.217 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275994965 782327567 /nfs/dbraw/zinc/32/75/67/782327567.db2.gz YPORIDYADCECBZ-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275994965 782327571 /nfs/dbraw/zinc/32/75/71/782327571.db2.gz YPORIDYADCECBZ-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001276056925 782328858 /nfs/dbraw/zinc/32/88/58/782328858.db2.gz PJLFTIPFRMELJS-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001095422329 782329580 /nfs/dbraw/zinc/32/95/80/782329580.db2.gz SPNHIQCHEFYEBG-NOOOWODRSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001095422329 782329586 /nfs/dbraw/zinc/32/95/86/782329586.db2.gz SPNHIQCHEFYEBG-NOOOWODRSA-N 1 1 319.369 -1.375 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421069 782329700 /nfs/dbraw/zinc/32/97/00/782329700.db2.gz JTVSPCGJAWUOBN-ZNSHCXBVSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421069 782329708 /nfs/dbraw/zinc/32/97/08/782329708.db2.gz JTVSPCGJAWUOBN-ZNSHCXBVSA-N 1 1 307.358 -1.471 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095421304 782329730 /nfs/dbraw/zinc/32/97/30/782329730.db2.gz VIOUZJFLBQGQIG-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095421304 782329738 /nfs/dbraw/zinc/32/97/38/782329738.db2.gz VIOUZJFLBQGQIG-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001095419100 782329810 /nfs/dbraw/zinc/32/98/10/782329810.db2.gz OQTOJKOYVWOIIQ-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001095419100 782329820 /nfs/dbraw/zinc/32/98/20/782329820.db2.gz OQTOJKOYVWOIIQ-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421068 782330303 /nfs/dbraw/zinc/33/03/03/782330303.db2.gz JTVSPCGJAWUOBN-VLEAKVRGSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421068 782330310 /nfs/dbraw/zinc/33/03/10/782330310.db2.gz JTVSPCGJAWUOBN-VLEAKVRGSA-N 1 1 307.358 -1.471 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001095440059 782331744 /nfs/dbraw/zinc/33/17/44/782331744.db2.gz SGANQOQAZLHCID-VLEAKVRGSA-N 1 1 322.369 -1.521 20 0 DAADMO O=C(C[NH+]1CCC1)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001275981786 782325394 /nfs/dbraw/zinc/32/53/94/782325394.db2.gz BGVFKRUWWDGMBH-GFCCVEGCSA-N 1 1 318.381 -1.052 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001275970212 782325449 /nfs/dbraw/zinc/32/54/49/782325449.db2.gz LGHXXWOSTRPFNM-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[N@@H+](C)CCn1cncn1 ZINC001275993118 782325478 /nfs/dbraw/zinc/32/54/78/782325478.db2.gz FUIKRSBIURJEET-LLVKDONJSA-N 1 1 322.369 -1.136 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001095497724 782334182 /nfs/dbraw/zinc/33/41/82/782334182.db2.gz RCJIDDLJRQQMCP-WOPDTQHZSA-N 1 1 322.365 -1.739 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001095646272 782335025 /nfs/dbraw/zinc/33/50/25/782335025.db2.gz WHISCICQPIGBST-MQYQWHSLSA-N 1 1 324.425 -1.137 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649204 782335074 /nfs/dbraw/zinc/33/50/74/782335074.db2.gz LKLOZVFSTHJJEP-WOPDTQHZSA-N 1 1 309.370 -1.050 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539850 782335517 /nfs/dbraw/zinc/33/55/17/782335517.db2.gz MEGONLWNPIGKSR-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539850 782335520 /nfs/dbraw/zinc/33/55/20/782335520.db2.gz MEGONLWNPIGKSR-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001095568930 782335658 /nfs/dbraw/zinc/33/56/58/782335658.db2.gz ATQDGPBEWKXOFW-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001095568930 782335667 /nfs/dbraw/zinc/33/56/67/782335667.db2.gz ATQDGPBEWKXOFW-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095680973 782336862 /nfs/dbraw/zinc/33/68/62/782336862.db2.gz CRBRVNRISHSUMS-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095680973 782336873 /nfs/dbraw/zinc/33/68/73/782336873.db2.gz CRBRVNRISHSUMS-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO Cc1noc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001276253006 782333692 /nfs/dbraw/zinc/33/36/92/782333692.db2.gz HJBBQKSPCIMYBO-VIFPVBQESA-N 1 1 324.341 -1.086 20 0 DAADMO Cc1cc(N2CC[C@@](O)(CNC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001111034705 782341056 /nfs/dbraw/zinc/34/10/56/782341056.db2.gz HPTPGFWCBLOGDD-CQSZACIVSA-N 1 1 322.369 -1.181 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)n1 ZINC001110903490 782338649 /nfs/dbraw/zinc/33/86/49/782338649.db2.gz LQXDWKDTNWJAFF-MXWKQRLJSA-N 1 1 310.358 -1.446 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001110903260 782338997 /nfs/dbraw/zinc/33/89/97/782338997.db2.gz DGTSADQUCMSMIV-DBIOUOCHSA-N 1 1 310.358 -1.448 20 0 DAADMO CCc1nc(N2CC[C@@](O)(CNC(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001111124964 782348554 /nfs/dbraw/zinc/34/85/54/782348554.db2.gz ZSEFMLJQHADVKK-CQSZACIVSA-N 1 1 307.354 -1.110 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C2)nc(C)[nH+]1 ZINC001111176252 782350044 /nfs/dbraw/zinc/35/00/44/782350044.db2.gz FJKTUGIUNDBPII-QWRGUYRKSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111183257 782350994 /nfs/dbraw/zinc/35/09/94/782350994.db2.gz WEMYUSWJTKWEBE-QCNOEVLYSA-N 1 1 321.385 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111183257 782350997 /nfs/dbraw/zinc/35/09/97/782350997.db2.gz WEMYUSWJTKWEBE-QCNOEVLYSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001111372898 782354949 /nfs/dbraw/zinc/35/49/49/782354949.db2.gz MUMROAJGJQYDGA-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001111372898 782354959 /nfs/dbraw/zinc/35/49/59/782354959.db2.gz MUMROAJGJQYDGA-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374718 782355445 /nfs/dbraw/zinc/35/54/45/782355445.db2.gz YIICYXAWXHXKFS-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374718 782355453 /nfs/dbraw/zinc/35/54/53/782355453.db2.gz YIICYXAWXHXKFS-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)O ZINC001111414431 782358195 /nfs/dbraw/zinc/35/81/95/782358195.db2.gz MIRDMGFNMPGQMM-ZDCRXTMVSA-N 1 1 305.400 -1.362 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507670 782358810 /nfs/dbraw/zinc/35/88/10/782358810.db2.gz OFWQPWYSTRYZDM-ODXREFDESA-N 1 1 318.324 -1.451 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001095872414 782356884 /nfs/dbraw/zinc/35/68/84/782356884.db2.gz KAZXEFLTKDJUSN-KXNHARMFSA-N 1 1 323.397 -1.180 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001095872414 782356892 /nfs/dbraw/zinc/35/68/92/782356892.db2.gz KAZXEFLTKDJUSN-KXNHARMFSA-N 1 1 323.397 -1.180 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114506822 782359206 /nfs/dbraw/zinc/35/92/06/782359206.db2.gz BNFNKEQNYFWXEF-XZMZPDFPSA-N 1 1 304.297 -1.712 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114536516 782361265 /nfs/dbraw/zinc/36/12/65/782361265.db2.gz RWPBXXVIGLWTPA-XZUYRWCXSA-N 1 1 323.397 -1.240 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114540624 782361471 /nfs/dbraw/zinc/36/14/71/782361471.db2.gz UQBFVUHPCHSDEJ-HBYGRHMLSA-N 1 1 309.366 -1.046 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)n1 ZINC001095881648 782361513 /nfs/dbraw/zinc/36/15/13/782361513.db2.gz GYLZBEZTPJXABN-VWYCJHECSA-N 1 1 317.357 -1.163 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)n1 ZINC001095881648 782361523 /nfs/dbraw/zinc/36/15/23/782361523.db2.gz GYLZBEZTPJXABN-VWYCJHECSA-N 1 1 317.357 -1.163 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114526854 782361666 /nfs/dbraw/zinc/36/16/66/782361666.db2.gz KIEVRYASXWPWGQ-SVDPJWKOSA-N 1 1 311.386 -1.255 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114526854 782361672 /nfs/dbraw/zinc/36/16/72/782361672.db2.gz KIEVRYASXWPWGQ-SVDPJWKOSA-N 1 1 311.386 -1.255 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114970147 782362030 /nfs/dbraw/zinc/36/20/30/782362030.db2.gz JSCKCQPHLUDFIF-IWIIMEHWSA-N 1 1 306.370 -1.047 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114970147 782362033 /nfs/dbraw/zinc/36/20/33/782362033.db2.gz JSCKCQPHLUDFIF-IWIIMEHWSA-N 1 1 306.370 -1.047 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001095882869 782362070 /nfs/dbraw/zinc/36/20/70/782362070.db2.gz QRJGPFBFMVYZCX-VPOLOUISSA-N 1 1 319.369 -1.176 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001095882869 782362074 /nfs/dbraw/zinc/36/20/74/782362074.db2.gz QRJGPFBFMVYZCX-VPOLOUISSA-N 1 1 319.369 -1.176 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(COC)CC1 ZINC001114561351 782362498 /nfs/dbraw/zinc/36/24/98/782362498.db2.gz VFZHMMRQFGXNII-IAZYJMLFSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(COC)CC1 ZINC001114561351 782362507 /nfs/dbraw/zinc/36/25/07/782362507.db2.gz VFZHMMRQFGXNII-IAZYJMLFSA-N 1 1 324.381 -1.085 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC001114589059 782362758 /nfs/dbraw/zinc/36/27/58/782362758.db2.gz CVSOICZWXUKYTK-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC001114589059 782362768 /nfs/dbraw/zinc/36/27/68/782362768.db2.gz CVSOICZWXUKYTK-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001114971177 782362845 /nfs/dbraw/zinc/36/28/45/782362845.db2.gz UMDCXORUVQSRSJ-WHOHXGKFSA-N 1 1 320.393 -1.210 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114568706 782362924 /nfs/dbraw/zinc/36/29/24/782362924.db2.gz SHNCAUMHXLVHLS-JZYVYDRUSA-N 1 1 312.370 -1.100 20 0 DAADMO COCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114568706 782362931 /nfs/dbraw/zinc/36/29/31/782362931.db2.gz SHNCAUMHXLVHLS-JZYVYDRUSA-N 1 1 312.370 -1.100 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC001114516189 782359729 /nfs/dbraw/zinc/35/97/29/782359729.db2.gz SMJDJYRPTDNXTC-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC001114516189 782359737 /nfs/dbraw/zinc/35/97/37/782359737.db2.gz SMJDJYRPTDNXTC-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114968671 782359798 /nfs/dbraw/zinc/35/97/98/782359798.db2.gz LSUILVCOIAZFBP-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114968671 782359806 /nfs/dbraw/zinc/35/98/06/782359806.db2.gz LSUILVCOIAZFBP-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114515798 782360000 /nfs/dbraw/zinc/36/00/00/782360000.db2.gz LOCSKSGAZNEMJF-YABSGUDNSA-N 1 1 319.365 -1.045 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114515798 782360009 /nfs/dbraw/zinc/36/00/09/782360009.db2.gz LOCSKSGAZNEMJF-YABSGUDNSA-N 1 1 319.365 -1.045 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)c1cn[nH]n1 ZINC001114508984 782360214 /nfs/dbraw/zinc/36/02/14/782360214.db2.gz YXHWOMYBHNKSHM-IAZYJMLFSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21)c1cnn[nH]1 ZINC001114508984 782360220 /nfs/dbraw/zinc/36/02/20/782360220.db2.gz YXHWOMYBHNKSHM-IAZYJMLFSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)c1cnn[nH]1 ZINC001114508984 782360230 /nfs/dbraw/zinc/36/02/30/782360230.db2.gz YXHWOMYBHNKSHM-IAZYJMLFSA-N 1 1 304.354 -1.009 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC001114507776 782360856 /nfs/dbraw/zinc/36/08/56/782360856.db2.gz OUMUFBCEVJJEIS-PJXYFTJBSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114507776 782360863 /nfs/dbraw/zinc/36/08/63/782360863.db2.gz OUMUFBCEVJJEIS-PJXYFTJBSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn[nH]1 ZINC001114507776 782360872 /nfs/dbraw/zinc/36/08/72/782360872.db2.gz OUMUFBCEVJJEIS-PJXYFTJBSA-N 1 1 322.369 -1.383 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114676000 782367321 /nfs/dbraw/zinc/36/73/21/782367321.db2.gz QXFAUICJYUONSC-DCQANWLSSA-N 1 1 323.397 -1.431 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC001114618347 782363464 /nfs/dbraw/zinc/36/34/64/782363464.db2.gz BUOQHROUDMGYES-PJXYFTJBSA-N 1 1 309.370 -1.599 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)nn1 ZINC001114601911 782363818 /nfs/dbraw/zinc/36/38/18/782363818.db2.gz HAWZITMVTBMDBS-CXTNEJHOSA-N 1 1 323.397 -1.106 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)nn1 ZINC001114601913 782363892 /nfs/dbraw/zinc/36/38/92/782363892.db2.gz HAWZITMVTBMDBS-RMRHIDDWSA-N 1 1 323.397 -1.106 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001114601718 782363910 /nfs/dbraw/zinc/36/39/10/782363910.db2.gz FRDBMWOHHFZFMB-UKJPYPIXSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001114601718 782363920 /nfs/dbraw/zinc/36/39/20/782363920.db2.gz FRDBMWOHHFZFMB-UKJPYPIXSA-N 1 1 323.353 -2.246 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114624126 782364433 /nfs/dbraw/zinc/36/44/33/782364433.db2.gz LTSNFNSXONYTEX-IAZYJMLFSA-N 1 1 302.400 -1.503 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624072 782364449 /nfs/dbraw/zinc/36/44/49/782364449.db2.gz KWOKUWUWVLEIKH-UXCLJVHYSA-N 1 1 322.406 -1.165 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114672923 782367867 /nfs/dbraw/zinc/36/78/67/782367867.db2.gz YAEVIXOEQNGCQF-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114672923 782367874 /nfs/dbraw/zinc/36/78/74/782367874.db2.gz YAEVIXOEQNGCQF-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624071 782364718 /nfs/dbraw/zinc/36/47/18/782364718.db2.gz KWOKUWUWVLEIKH-SVDPJWKOSA-N 1 1 322.406 -1.165 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001114624563 782364741 /nfs/dbraw/zinc/36/47/41/782364741.db2.gz UWNZXVPLMCIOGQ-SVDPJWKOSA-N 1 1 320.415 -1.879 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)S(N)(=O)=O ZINC001114622248 782364893 /nfs/dbraw/zinc/36/48/93/782364893.db2.gz ZVEKKQADMBYUIX-KXNHARMFSA-N 1 1 319.427 -1.128 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114632939 782365693 /nfs/dbraw/zinc/36/56/93/782365693.db2.gz QJRQJHKZFKGCRI-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114632939 782365697 /nfs/dbraw/zinc/36/56/97/782365697.db2.gz QJRQJHKZFKGCRI-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114652930 782365723 /nfs/dbraw/zinc/36/57/23/782365723.db2.gz VUMUQBIMKQZHCS-IWIIMEHWSA-N 1 1 320.353 -1.486 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114652930 782365727 /nfs/dbraw/zinc/36/57/27/782365727.db2.gz VUMUQBIMKQZHCS-IWIIMEHWSA-N 1 1 320.353 -1.486 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662285 782366447 /nfs/dbraw/zinc/36/64/47/782366447.db2.gz HEUJOJJGBYCKNF-HBYGRHMLSA-N 1 1 323.397 -2.399 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662285 782366454 /nfs/dbraw/zinc/36/64/54/782366454.db2.gz HEUJOJJGBYCKNF-HBYGRHMLSA-N 1 1 323.397 -2.399 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C ZINC001114661346 782366796 /nfs/dbraw/zinc/36/67/96/782366796.db2.gz URKHLQSZIBUQMY-VROVMSAKSA-N 1 1 321.341 -1.771 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C ZINC001114661346 782366806 /nfs/dbraw/zinc/36/68/06/782366806.db2.gz URKHLQSZIBUQMY-VROVMSAKSA-N 1 1 321.341 -1.771 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114679297 782369164 /nfs/dbraw/zinc/36/91/64/782369164.db2.gz VURTVKJYEJWTHN-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)NCC1CC1 ZINC001114679370 782369184 /nfs/dbraw/zinc/36/91/84/782369184.db2.gz XFIWJICUFKEMBI-NMKXLXIOSA-N 1 1 320.393 -1.305 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)NCC1CC1 ZINC001114679370 782369192 /nfs/dbraw/zinc/36/91/92/782369192.db2.gz XFIWJICUFKEMBI-NMKXLXIOSA-N 1 1 320.393 -1.305 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712349 782369690 /nfs/dbraw/zinc/36/96/90/782369690.db2.gz JOQOKGNOYBLMNM-KEXAVXMTSA-N 1 1 308.338 -1.880 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712349 782369697 /nfs/dbraw/zinc/36/96/97/782369697.db2.gz JOQOKGNOYBLMNM-KEXAVXMTSA-N 1 1 308.338 -1.880 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001114695476 782370339 /nfs/dbraw/zinc/37/03/39/782370339.db2.gz GZAFHTFBFVTELI-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001114695476 782370344 /nfs/dbraw/zinc/37/03/44/782370344.db2.gz GZAFHTFBFVTELI-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712658 782370525 /nfs/dbraw/zinc/37/05/25/782370525.db2.gz OQGMJMFTKGTAJK-OFIBXOCSSA-N 1 1 322.365 -1.619 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712658 782370528 /nfs/dbraw/zinc/37/05/28/782370528.db2.gz OQGMJMFTKGTAJK-OFIBXOCSSA-N 1 1 322.365 -1.619 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738821 782370897 /nfs/dbraw/zinc/37/08/97/782370897.db2.gz JZCGBBMDXROBCZ-QISWUMQESA-N 1 1 308.338 -1.563 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114739827 782371230 /nfs/dbraw/zinc/37/12/30/782371230.db2.gz WFOZSTNOALYPTQ-IIDWOEFGSA-N 1 1 320.309 -2.375 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114739827 782371237 /nfs/dbraw/zinc/37/12/37/782371237.db2.gz WFOZSTNOALYPTQ-IIDWOEFGSA-N 1 1 320.309 -2.375 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001114725919 782371467 /nfs/dbraw/zinc/37/14/67/782371467.db2.gz DJBMAODBFPZIDV-YCGPCKTQSA-N 1 1 311.382 -1.339 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738022 782371677 /nfs/dbraw/zinc/37/16/77/782371677.db2.gz AHCBENPPZJUOEJ-MSRIBSCDSA-N 1 1 319.365 -1.044 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738022 782371687 /nfs/dbraw/zinc/37/16/87/782371687.db2.gz AHCBENPPZJUOEJ-MSRIBSCDSA-N 1 1 319.365 -1.044 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)NC1=O ZINC001114671784 782368115 /nfs/dbraw/zinc/36/81/15/782368115.db2.gz JPHIWWLTYLJVMK-WHOHXGKFSA-N 1 1 312.370 -1.935 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114676291 782368409 /nfs/dbraw/zinc/36/84/09/782368409.db2.gz WFSIWMGJHKTVKO-PUHVVEEASA-N 1 1 308.382 -1.223 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745802 782371933 /nfs/dbraw/zinc/37/19/33/782371933.db2.gz GMNQWLYSHRAWOE-MIZYBKAJSA-N 1 1 309.370 -1.808 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114748585 782373818 /nfs/dbraw/zinc/37/38/18/782373818.db2.gz SLXSFSLQWFSZOB-XZUYRWCXSA-N 1 1 323.397 -1.514 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114748585 782373825 /nfs/dbraw/zinc/37/38/25/782373825.db2.gz SLXSFSLQWFSZOB-XZUYRWCXSA-N 1 1 323.397 -1.514 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)CS(C)(=O)=O ZINC001114753039 782373905 /nfs/dbraw/zinc/37/39/05/782373905.db2.gz PBLGYTINOXMOGV-AXTSPUMRSA-N 1 1 303.384 -1.801 20 0 DAADMO C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)CS(C)(=O)=O ZINC001114753039 782373916 /nfs/dbraw/zinc/37/39/16/782373916.db2.gz PBLGYTINOXMOGV-AXTSPUMRSA-N 1 1 303.384 -1.801 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752714 782374043 /nfs/dbraw/zinc/37/40/43/782374043.db2.gz JZCOKVFGASXVDR-ZNSHCXBVSA-N 1 1 301.343 -2.458 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756012 782374495 /nfs/dbraw/zinc/37/44/95/782374495.db2.gz SZAODNNNNJQXKB-BEYHFKMWSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756012 782374504 /nfs/dbraw/zinc/37/45/04/782374504.db2.gz SZAODNNNNJQXKB-BEYHFKMWSA-N 1 1 323.353 -2.105 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114764636 782375834 /nfs/dbraw/zinc/37/58/34/782375834.db2.gz ZHRNFJPYDPREIJ-QCBRBAQYSA-N 1 1 320.349 -1.897 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114763523 782376189 /nfs/dbraw/zinc/37/61/89/782376189.db2.gz DUGNUHGQXLVZJK-WHOHXGKFSA-N 1 1 320.393 -1.081 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001114787014 782377190 /nfs/dbraw/zinc/37/71/90/782377190.db2.gz KIUJQCMIYDNDNL-VWFLFCASSA-N 1 1 308.382 -1.162 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001114787014 782377193 /nfs/dbraw/zinc/37/71/93/782377193.db2.gz KIUJQCMIYDNDNL-VWFLFCASSA-N 1 1 308.382 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741725 782372446 /nfs/dbraw/zinc/37/24/46/782372446.db2.gz VCDGRJTYKQZRGW-PBOSXPJTSA-N 1 1 324.381 -1.147 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746759 782372601 /nfs/dbraw/zinc/37/26/01/782372601.db2.gz YUYMIRZFICCJEM-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746322 782372755 /nfs/dbraw/zinc/37/27/55/782372755.db2.gz QBQXYBHONSESAJ-MIZYBKAJSA-N 1 1 309.370 -1.761 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746322 782372761 /nfs/dbraw/zinc/37/27/61/782372761.db2.gz QBQXYBHONSESAJ-MIZYBKAJSA-N 1 1 309.370 -1.761 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001114745900 782372777 /nfs/dbraw/zinc/37/27/77/782372777.db2.gz ICOOQUMASWAXKG-XZUYRWCXSA-N 1 1 321.381 -1.760 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001114745900 782372784 /nfs/dbraw/zinc/37/27/84/782372784.db2.gz ICOOQUMASWAXKG-XZUYRWCXSA-N 1 1 321.381 -1.760 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(C3CC3)C3CC3)C[C@H]21 ZINC001114757232 782373270 /nfs/dbraw/zinc/37/32/70/782373270.db2.gz HSTIFQSUWINOFL-YABSGUDNSA-N 1 1 320.393 -1.177 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(C3CC3)C3CC3)C[C@H]21 ZINC001114757232 782373278 /nfs/dbraw/zinc/37/32/78/782373278.db2.gz HSTIFQSUWINOFL-YABSGUDNSA-N 1 1 320.393 -1.177 20 0 DAADMO CN(CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)S(C)(=O)=O ZINC001114753208 782373343 /nfs/dbraw/zinc/37/33/43/782373343.db2.gz SCJYHHVMXLUIAO-BRPSZJMVSA-N 1 1 304.372 -2.591 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001114757542 782373582 /nfs/dbraw/zinc/37/35/82/782373582.db2.gz MKFXODBTOINCHT-PJXYFTJBSA-N 1 1 317.349 -1.771 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001114757542 782373593 /nfs/dbraw/zinc/37/35/93/782373593.db2.gz MKFXODBTOINCHT-PJXYFTJBSA-N 1 1 317.349 -1.771 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001114828428 782379542 /nfs/dbraw/zinc/37/95/42/782379542.db2.gz CZLOQQXZBMNVHY-VLLVSFFDSA-N 1 1 324.381 -1.798 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001114828428 782379549 /nfs/dbraw/zinc/37/95/49/782379549.db2.gz CZLOQQXZBMNVHY-VLLVSFFDSA-N 1 1 324.381 -1.798 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114860985 782383211 /nfs/dbraw/zinc/38/32/11/782383211.db2.gz BXCRLZGFPNFPMH-IMRBUKKESA-N 1 1 304.350 -1.150 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114837614 782380711 /nfs/dbraw/zinc/38/07/11/782380711.db2.gz IJXKUZJOZLOCGM-MOWSAHLDSA-N 1 1 322.409 -1.074 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114837614 782380717 /nfs/dbraw/zinc/38/07/17/782380717.db2.gz IJXKUZJOZLOCGM-MOWSAHLDSA-N 1 1 322.409 -1.074 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843053 782381238 /nfs/dbraw/zinc/38/12/38/782381238.db2.gz HBTUVIIIYHVROW-PQFRYHKHSA-N 1 1 320.397 -1.071 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001114858455 782383249 /nfs/dbraw/zinc/38/32/49/782383249.db2.gz AYSRKKFQXONYGL-BNOQRQDOSA-N 1 1 322.365 -1.205 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001114858455 782383259 /nfs/dbraw/zinc/38/32/59/782383259.db2.gz AYSRKKFQXONYGL-BNOQRQDOSA-N 1 1 322.365 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276333697 782381307 /nfs/dbraw/zinc/38/13/07/782381307.db2.gz JHGMCXQGSPIULP-GHMZBOCLSA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276333697 782381313 /nfs/dbraw/zinc/38/13/13/782381313.db2.gz JHGMCXQGSPIULP-GHMZBOCLSA-N 1 1 324.381 -1.115 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114865347 782383038 /nfs/dbraw/zinc/38/30/38/782383038.db2.gz VHDNGLMPZPRGNK-GOONRYMUSA-N 1 1 306.370 -1.082 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114865347 782383042 /nfs/dbraw/zinc/38/30/42/782383042.db2.gz VHDNGLMPZPRGNK-GOONRYMUSA-N 1 1 306.370 -1.082 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114865347 782383049 /nfs/dbraw/zinc/38/30/49/782383049.db2.gz VHDNGLMPZPRGNK-GOONRYMUSA-N 1 1 306.370 -1.082 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114978002 782383137 /nfs/dbraw/zinc/38/31/37/782383137.db2.gz MUEXZBKXEXXQQF-SRRSOLGSSA-N 1 1 312.370 -2.205 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114809854 782378695 /nfs/dbraw/zinc/37/86/95/782378695.db2.gz HXCISXMOVINZRF-LOKLDPHHSA-N 1 1 314.342 -2.111 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114809854 782378701 /nfs/dbraw/zinc/37/87/01/782378701.db2.gz HXCISXMOVINZRF-LOKLDPHHSA-N 1 1 314.342 -2.111 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)N(C)C ZINC001114895218 782387569 /nfs/dbraw/zinc/38/75/69/782387569.db2.gz SWNUOZWTZKOROE-IAZYJMLFSA-N 1 1 304.416 -1.163 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114902199 782387724 /nfs/dbraw/zinc/38/77/24/782387724.db2.gz ZOFUJLLGFDKBSH-PJXYFTJBSA-N 1 1 319.427 -1.303 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114908236 782387824 /nfs/dbraw/zinc/38/78/24/782387824.db2.gz YFBWKLFFHZQVEL-FJJYHAOUSA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114908236 782387836 /nfs/dbraw/zinc/38/78/36/782387836.db2.gz YFBWKLFFHZQVEL-FJJYHAOUSA-N 1 1 311.382 -1.168 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)N(C)C ZINC001114895348 782387855 /nfs/dbraw/zinc/38/78/55/782387855.db2.gz VTMSUEFYCYSGOZ-SVDPJWKOSA-N 1 1 320.415 -2.190 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114895487 782387928 /nfs/dbraw/zinc/38/79/28/782387928.db2.gz YKHXYNBPEXIZBF-IAZYJMLFSA-N 1 1 322.406 -1.212 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001041056374 782388913 /nfs/dbraw/zinc/38/89/13/782388913.db2.gz BQUNODMZQJOPMV-NEPJUHHUSA-N 1 1 311.382 -1.051 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001043373585 782398373 /nfs/dbraw/zinc/39/83/73/782398373.db2.gz NUKHWEGANDMKTA-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)C1 ZINC001043374572 782398809 /nfs/dbraw/zinc/39/88/09/782398809.db2.gz FTDASCSSECEURH-NSHDSACASA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)C1 ZINC001043374572 782398815 /nfs/dbraw/zinc/39/88/15/782398815.db2.gz FTDASCSSECEURH-NSHDSACASA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H]1CCNC1=O ZINC001096308656 782409815 /nfs/dbraw/zinc/40/98/15/782409815.db2.gz SETUHYHDCCNLKA-RCWTZXSCSA-N 1 1 304.354 -1.043 20 0 DAADMO C[C@@H](CC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001100329357 782410861 /nfs/dbraw/zinc/41/08/61/782410861.db2.gz AGBPOTDYAHROSH-IDKOKCKLSA-N 1 1 324.389 -1.359 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1=O ZINC001096337189 782411338 /nfs/dbraw/zinc/41/13/38/782411338.db2.gz SZDMRGUGWZPIBX-WOPDTQHZSA-N 1 1 324.381 -1.016 20 0 DAADMO Cc1nsc(N2CC[NH+](CCCNC(=O)C(N)=O)CC2)n1 ZINC001096256613 782408034 /nfs/dbraw/zinc/40/80/34/782408034.db2.gz HMEPEPPHOYPFCM-UHFFFAOYSA-N 1 1 312.399 -1.040 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047630838 782408389 /nfs/dbraw/zinc/40/83/89/782408389.db2.gz BFCFXIDOBUXIHZ-WOPDTQHZSA-N 1 1 317.411 -1.408 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)c(=O)n1C ZINC001096460942 782412793 /nfs/dbraw/zinc/41/27/93/782412793.db2.gz FFDGYATYDNNKEC-AGIUHOORSA-N 1 1 323.397 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502595 782413699 /nfs/dbraw/zinc/41/36/99/782413699.db2.gz YVPWIPWBXLZNSM-ZNSHCXBVSA-N 1 1 310.354 -1.360 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001096497325 782413816 /nfs/dbraw/zinc/41/38/16/782413816.db2.gz PRCWVNYGKHZRDV-RHYQMDGZSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001096497325 782413824 /nfs/dbraw/zinc/41/38/24/782413824.db2.gz PRCWVNYGKHZRDV-RHYQMDGZSA-N 1 1 304.354 -1.112 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001096503188 782414000 /nfs/dbraw/zinc/41/40/00/782414000.db2.gz CXQUZMBNWKZSPJ-USZNOCQGSA-N 1 1 324.381 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509668 782414600 /nfs/dbraw/zinc/41/46/00/782414600.db2.gz MICYORIUINPDIX-VWYCJHECSA-N 1 1 322.365 -1.397 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509668 782414604 /nfs/dbraw/zinc/41/46/04/782414604.db2.gz MICYORIUINPDIX-VWYCJHECSA-N 1 1 322.365 -1.397 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509348 782414729 /nfs/dbraw/zinc/41/47/29/782414729.db2.gz HTFCNJYWUXBOBA-VLEAKVRGSA-N 1 1 322.365 -1.269 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001096509348 782414732 /nfs/dbraw/zinc/41/47/32/782414732.db2.gz HTFCNJYWUXBOBA-VLEAKVRGSA-N 1 1 322.365 -1.269 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001096781642 782416440 /nfs/dbraw/zinc/41/64/40/782416440.db2.gz FVJKFKGYMBTBAJ-UTUOFQBUSA-N 1 1 317.357 -1.314 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779415 782416825 /nfs/dbraw/zinc/41/68/25/782416825.db2.gz VMCBEUXFSQLISU-MXWKQRLJSA-N 1 1 307.358 -1.517 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779415 782416829 /nfs/dbraw/zinc/41/68/29/782416829.db2.gz VMCBEUXFSQLISU-MXWKQRLJSA-N 1 1 307.358 -1.517 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001097233963 782421990 /nfs/dbraw/zinc/42/19/90/782421990.db2.gz BTOCWMSBSNULBN-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097022076 782417909 /nfs/dbraw/zinc/41/79/09/782417909.db2.gz LVZSNJIZLITJDT-ZNSHCXBVSA-N 1 1 310.354 -1.096 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001097022076 782417913 /nfs/dbraw/zinc/41/79/13/782417913.db2.gz LVZSNJIZLITJDT-ZNSHCXBVSA-N 1 1 310.354 -1.096 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096984101 782417926 /nfs/dbraw/zinc/41/79/26/782417926.db2.gz UTVAWARTMGAECP-MXWKQRLJSA-N 1 1 322.369 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096984101 782417930 /nfs/dbraw/zinc/41/79/30/782417930.db2.gz UTVAWARTMGAECP-MXWKQRLJSA-N 1 1 322.369 -1.207 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001096968735 782418554 /nfs/dbraw/zinc/41/85/54/782418554.db2.gz RPZSPDFIRQHYOU-MQYQWHSLSA-N 1 1 322.409 -1.071 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001096968735 782418560 /nfs/dbraw/zinc/41/85/60/782418560.db2.gz RPZSPDFIRQHYOU-MQYQWHSLSA-N 1 1 322.409 -1.071 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001097081861 782419171 /nfs/dbraw/zinc/41/91/71/782419171.db2.gz SPNHIQCHEFYEBG-WISYIIOYSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001097081861 782419177 /nfs/dbraw/zinc/41/91/77/782419177.db2.gz SPNHIQCHEFYEBG-WISYIIOYSA-N 1 1 319.369 -1.375 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001097081468 782419358 /nfs/dbraw/zinc/41/93/58/782419358.db2.gz CIPQLPMDYORBTJ-ZNSHCXBVSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001097081468 782419361 /nfs/dbraw/zinc/41/93/61/782419361.db2.gz CIPQLPMDYORBTJ-ZNSHCXBVSA-N 1 1 305.342 -1.717 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001097373767 782421904 /nfs/dbraw/zinc/42/19/04/782421904.db2.gz WHISCICQPIGBST-SYQHCUMBSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378435 782422790 /nfs/dbraw/zinc/42/27/90/782422790.db2.gz MSGCRCLIOBWCBG-KKOKHZNYSA-N 1 1 309.370 -1.316 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097642843 782423483 /nfs/dbraw/zinc/42/34/83/782423483.db2.gz PJRWZECYEQJSNE-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001097460365 782424051 /nfs/dbraw/zinc/42/40/51/782424051.db2.gz BBESIQVZSWZPQV-MXWKQRLJSA-N 1 1 308.338 -1.337 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097642869 782424233 /nfs/dbraw/zinc/42/42/33/782424233.db2.gz QDHUXHDDGMBRIL-QCNOEVLYSA-N 1 1 323.397 -1.987 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097642869 782424236 /nfs/dbraw/zinc/42/42/36/782424236.db2.gz QDHUXHDDGMBRIL-QCNOEVLYSA-N 1 1 323.397 -1.987 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640371 782424303 /nfs/dbraw/zinc/42/43/03/782424303.db2.gz IYYPHBPQIVIQMP-KXNHARMFSA-N 1 1 308.382 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001097640371 782424306 /nfs/dbraw/zinc/42/43/06/782424306.db2.gz IYYPHBPQIVIQMP-KXNHARMFSA-N 1 1 308.382 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)C1=O)C2 ZINC001097673219 782426172 /nfs/dbraw/zinc/42/61/72/782426172.db2.gz QRNCTJNMWUITJU-KKOKHZNYSA-N 1 1 308.382 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)C1=O)C2 ZINC001097673219 782426179 /nfs/dbraw/zinc/42/61/79/782426179.db2.gz QRNCTJNMWUITJU-KKOKHZNYSA-N 1 1 308.382 -1.068 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001097767864 782427613 /nfs/dbraw/zinc/42/76/13/782427613.db2.gz OTSQUUHSAIVEPL-KKOKHZNYSA-N 1 1 307.354 -1.549 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001097967024 782429920 /nfs/dbraw/zinc/42/99/20/782429920.db2.gz MRPPPTDIVFAVFR-BBBLOLIVSA-N 1 1 324.337 -1.879 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001097944637 782430465 /nfs/dbraw/zinc/43/04/65/782430465.db2.gz GOOVNNIZYYDEFK-ZNSHCXBVSA-N 1 1 310.354 -1.312 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H](N2CCN(CCO)CC2)C1 ZINC001052098460 782432567 /nfs/dbraw/zinc/43/25/67/782432567.db2.gz JYYIKDWDLHIFRH-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001098051877 782433835 /nfs/dbraw/zinc/43/38/35/782433835.db2.gz ZCHVBVMCCQCZTF-MXWKQRLJSA-N 1 1 310.354 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098051739 782433925 /nfs/dbraw/zinc/43/39/25/782433925.db2.gz SAMOMTKBFWOJDI-JLIMGVALSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098051739 782433927 /nfs/dbraw/zinc/43/39/27/782433927.db2.gz SAMOMTKBFWOJDI-JLIMGVALSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001276388970 782438503 /nfs/dbraw/zinc/43/85/03/782438503.db2.gz MWOGFCMBYXQYOT-WPRPVWTQSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001276388969 782438551 /nfs/dbraw/zinc/43/85/51/782438551.db2.gz MWOGFCMBYXQYOT-WCBMZHEXSA-N 1 1 324.381 -1.260 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1=O ZINC001098347211 782438932 /nfs/dbraw/zinc/43/89/32/782438932.db2.gz MQUNCQQOMGQZNS-UTUOFQBUSA-N 1 1 324.381 -1.016 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)c(=O)n1C ZINC001098308192 782439065 /nfs/dbraw/zinc/43/90/65/782439065.db2.gz FFDGYATYDNNKEC-UPJWGTAASA-N 1 1 323.397 -1.006 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)c1 ZINC001069910431 782436327 /nfs/dbraw/zinc/43/63/27/782436327.db2.gz UQNODYSZFNWNFC-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)c1 ZINC001069910431 782436331 /nfs/dbraw/zinc/43/63/31/782436331.db2.gz UQNODYSZFNWNFC-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069911629 782436442 /nfs/dbraw/zinc/43/64/42/782436442.db2.gz BRTILVMSYRMNTC-OLZOCXBDSA-N 1 1 324.385 -2.056 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069911629 782436447 /nfs/dbraw/zinc/43/64/47/782436447.db2.gz BRTILVMSYRMNTC-OLZOCXBDSA-N 1 1 324.385 -2.056 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069910342 782436474 /nfs/dbraw/zinc/43/64/74/782436474.db2.gz PYIQYIRKTHNDHN-TUAOUCFPSA-N 1 1 323.353 -1.435 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069910342 782436479 /nfs/dbraw/zinc/43/64/79/782436479.db2.gz PYIQYIRKTHNDHN-TUAOUCFPSA-N 1 1 323.353 -1.435 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098637099 782444945 /nfs/dbraw/zinc/44/49/45/782444945.db2.gz HRMAYKGALOVJNK-VXGBXAGGSA-N 1 1 322.369 -1.588 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001098522984 782444964 /nfs/dbraw/zinc/44/49/64/782444964.db2.gz KMQGFFVLLFRJFG-ZDCRXTMVSA-N 1 1 322.365 -1.493 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001098522984 782444971 /nfs/dbraw/zinc/44/49/71/782444971.db2.gz KMQGFFVLLFRJFG-ZDCRXTMVSA-N 1 1 322.365 -1.493 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098630039 782444983 /nfs/dbraw/zinc/44/49/83/782444983.db2.gz AAYMYDIXTQUOHM-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001098334502 782439407 /nfs/dbraw/zinc/43/94/07/782439407.db2.gz HFMDIRNDDDFJNR-IQIPOGNMSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001098334502 782439415 /nfs/dbraw/zinc/43/94/15/782439415.db2.gz HFMDIRNDDDFJNR-IQIPOGNMSA-N 1 1 319.365 -1.011 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001098343808 782440399 /nfs/dbraw/zinc/44/03/99/782440399.db2.gz OXPOCQHJPPSBPR-MXWKQRLJSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)nn1 ZINC001098464343 782441130 /nfs/dbraw/zinc/44/11/30/782441130.db2.gz YMHCXHKUFLGYDE-FOGDFJRCSA-N 1 1 322.369 -1.519 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001098506143 782441259 /nfs/dbraw/zinc/44/12/59/782441259.db2.gz MOAZNDFPXQJKIE-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC001098498731 782441746 /nfs/dbraw/zinc/44/17/46/782441746.db2.gz YEQWIVQLTXRRIC-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471221 782441894 /nfs/dbraw/zinc/44/18/94/782441894.db2.gz IXURCHYHOSCPJY-MXWKQRLJSA-N 1 1 321.381 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471221 782441902 /nfs/dbraw/zinc/44/19/02/782441902.db2.gz IXURCHYHOSCPJY-MXWKQRLJSA-N 1 1 321.381 -1.195 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098839007 782445331 /nfs/dbraw/zinc/44/53/31/782445331.db2.gz IAWOQBQJDQGZMV-MJVIPROJSA-N 1 1 321.385 -1.092 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098799230 782445345 /nfs/dbraw/zinc/44/53/45/782445345.db2.gz PPCBSVVFUFZOFG-HZMBPMFUSA-N 1 1 322.369 -1.300 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698564 782443167 /nfs/dbraw/zinc/44/31/67/782443167.db2.gz WNAXCKQBWKRIDU-CMPLNLGQSA-N 1 1 324.385 -1.355 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098697018 782443341 /nfs/dbraw/zinc/44/33/41/782443341.db2.gz BQFGDXRXEWMLFR-LLVKDONJSA-N 1 1 320.357 -1.126 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001099613105 782453775 /nfs/dbraw/zinc/45/37/75/782453775.db2.gz DUXNSAGVHMNPLJ-QWHCGFSZSA-N 1 1 317.386 -1.663 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099605346 782453915 /nfs/dbraw/zinc/45/39/15/782453915.db2.gz UCTUCVUOWAGHDP-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099605346 782453923 /nfs/dbraw/zinc/45/39/23/782453923.db2.gz UCTUCVUOWAGHDP-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001098837145 782445458 /nfs/dbraw/zinc/44/54/58/782445458.db2.gz MNZPYPYQPXTHPL-WDMOLILDSA-N 1 1 319.369 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001098720952 782445874 /nfs/dbraw/zinc/44/58/74/782445874.db2.gz VMHRYUKGIQDBSG-MJVIPROJSA-N 1 1 319.369 -1.468 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098801482 782445910 /nfs/dbraw/zinc/44/59/10/782445910.db2.gz UXXIQVBYTJZHBY-BHDSKKPTSA-N 1 1 322.369 -1.172 20 0 DAADMO NC(=O)CCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098789677 782446701 /nfs/dbraw/zinc/44/67/01/782446701.db2.gz HLOQSYPKHPREIP-LBPRGKRZSA-N 1 1 324.385 -1.211 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001098912613 782448010 /nfs/dbraw/zinc/44/80/10/782448010.db2.gz NDPJLDQDEBMJBP-XUJVJEKNSA-N 1 1 323.397 -1.067 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001099009834 782448015 /nfs/dbraw/zinc/44/80/15/782448015.db2.gz PBJDMRJIQHZVFJ-HUBLWGQQSA-N 1 1 321.381 -1.300 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@@H]1CC(=O)NC(=O)N1 ZINC001099056805 782448080 /nfs/dbraw/zinc/44/80/80/782448080.db2.gz FCIBSGHLULCWGD-BHDSKKPTSA-N 1 1 310.354 -1.453 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001098974089 782448642 /nfs/dbraw/zinc/44/86/42/782448642.db2.gz GHIOVLIMKXLIII-RWSFTLGLSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001098974089 782448649 /nfs/dbraw/zinc/44/86/49/782448649.db2.gz GHIOVLIMKXLIII-RWSFTLGLSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001099003235 782449075 /nfs/dbraw/zinc/44/90/75/782449075.db2.gz FHRVQESNULLJFG-RBZYPMLTSA-N 1 1 309.370 -1.616 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001099003235 782449077 /nfs/dbraw/zinc/44/90/77/782449077.db2.gz FHRVQESNULLJFG-RBZYPMLTSA-N 1 1 309.370 -1.616 20 0 DAADMO Cc1nn(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)c(=O)n1C ZINC001099143144 782449769 /nfs/dbraw/zinc/44/97/69/782449769.db2.gz MYVYWQPGZHSPPU-WFASDCNBSA-N 1 1 323.397 -1.147 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C(F)(F)F ZINC001099307299 782449806 /nfs/dbraw/zinc/44/98/06/782449806.db2.gz MJSHEFVJWJKWHB-ULAWRXDQSA-N 1 1 322.287 -1.428 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cncn2)C1 ZINC001099150399 782449909 /nfs/dbraw/zinc/44/99/09/782449909.db2.gz HNLKIKORWLRANV-FZMZJTMJSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001099224746 782450207 /nfs/dbraw/zinc/45/02/07/782450207.db2.gz NTSZEEAVWCHOEG-BWZBUEFSSA-N 1 1 322.287 -1.271 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611428 782454207 /nfs/dbraw/zinc/45/42/07/782454207.db2.gz QRZKQCXKOAYCKF-VXGBXAGGSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099265282 782450454 /nfs/dbraw/zinc/45/04/54/782450454.db2.gz HDDZMZAVGOJSFE-RNFRBKRXSA-N 1 1 324.303 -1.038 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001099322339 782450472 /nfs/dbraw/zinc/45/04/72/782450472.db2.gz XWEGTPAXUBREPC-HTRCEHHLSA-N 1 1 320.275 -1.107 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001099247683 782450811 /nfs/dbraw/zinc/45/08/11/782450811.db2.gz IPQHSXHYRCXWHX-RNFRBKRXSA-N 1 1 320.275 -1.107 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001099152810 782450960 /nfs/dbraw/zinc/45/09/60/782450960.db2.gz XCDUYUSKRJBYTC-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001099152810 782450965 /nfs/dbraw/zinc/45/09/65/782450965.db2.gz XCDUYUSKRJBYTC-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099519644 782451846 /nfs/dbraw/zinc/45/18/46/782451846.db2.gz JABIHNGIUDDDLV-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCNC(N)=O)C1 ZINC001099552866 782451943 /nfs/dbraw/zinc/45/19/43/782451943.db2.gz PXPLEDOJBDPWBR-BJDJZHNGSA-N 1 1 323.397 -1.301 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001099520017 782452408 /nfs/dbraw/zinc/45/24/08/782452408.db2.gz LIKWUGCBKVUBDA-XKNYDFJKSA-N 1 1 323.353 -2.165 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001099607482 782453361 /nfs/dbraw/zinc/45/33/61/782453361.db2.gz NESBIDQTDNOSTB-VXGBXAGGSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099629938 782457104 /nfs/dbraw/zinc/45/71/04/782457104.db2.gz JYJVTFXZDVGJSG-KGLIPLIRSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099629938 782457107 /nfs/dbraw/zinc/45/71/07/782457107.db2.gz JYJVTFXZDVGJSG-KGLIPLIRSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099631154 782457594 /nfs/dbraw/zinc/45/75/94/782457594.db2.gz UMLDJFGDAFYLIG-NWDGAFQWSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099631154 782457597 /nfs/dbraw/zinc/45/75/97/782457597.db2.gz UMLDJFGDAFYLIG-NWDGAFQWSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099631156 782457796 /nfs/dbraw/zinc/45/77/96/782457796.db2.gz UMLDJFGDAFYLIG-VXGBXAGGSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099631156 782457801 /nfs/dbraw/zinc/45/78/01/782457801.db2.gz UMLDJFGDAFYLIG-VXGBXAGGSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099630042 782457811 /nfs/dbraw/zinc/45/78/11/782457811.db2.gz LIGBKNRPDQOCPY-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099630042 782457814 /nfs/dbraw/zinc/45/78/14/782457814.db2.gz LIGBKNRPDQOCPY-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099630044 782457831 /nfs/dbraw/zinc/45/78/31/782457831.db2.gz LIGBKNRPDQOCPY-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099630044 782457834 /nfs/dbraw/zinc/45/78/34/782457834.db2.gz LIGBKNRPDQOCPY-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001099631550 782458912 /nfs/dbraw/zinc/45/89/12/782458912.db2.gz WXJBHBIHYWSZEA-KGLIPLIRSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099635488 782459092 /nfs/dbraw/zinc/45/90/92/782459092.db2.gz DYOYAPPRUNIVBD-RYUDHWBXSA-N 1 1 310.358 -2.034 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099644896 782461708 /nfs/dbraw/zinc/46/17/08/782461708.db2.gz LACFIINSGANKAI-GHMZBOCLSA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1=COCCO1 ZINC001099641759 782459623 /nfs/dbraw/zinc/45/96/23/782459623.db2.gz HQFZELRJFOBDRJ-NWDGAFQWSA-N 1 1 316.354 -1.565 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631763 782459711 /nfs/dbraw/zinc/45/97/11/782459711.db2.gz YXKSRMCKUJFKPX-QWHCGFSZSA-N 1 1 317.386 -1.663 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642309 782459835 /nfs/dbraw/zinc/45/98/35/782459835.db2.gz OJMCPQHYBSDOIN-WDEREUQCSA-N 1 1 313.354 -1.438 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642309 782459840 /nfs/dbraw/zinc/45/98/40/782459840.db2.gz OJMCPQHYBSDOIN-WDEREUQCSA-N 1 1 313.354 -1.438 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099637631 782459873 /nfs/dbraw/zinc/45/98/73/782459873.db2.gz YGLOASGWFBLRGS-JSGCOSHPSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099637631 782459879 /nfs/dbraw/zinc/45/98/79/782459879.db2.gz YGLOASGWFBLRGS-JSGCOSHPSA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642308 782459928 /nfs/dbraw/zinc/45/99/28/782459928.db2.gz OJMCPQHYBSDOIN-QWRGUYRKSA-N 1 1 313.354 -1.438 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642308 782459934 /nfs/dbraw/zinc/45/99/34/782459934.db2.gz OJMCPQHYBSDOIN-QWRGUYRKSA-N 1 1 313.354 -1.438 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645222 782460847 /nfs/dbraw/zinc/46/08/47/782460847.db2.gz NYUXPOOQPUWHDJ-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099651292 782461163 /nfs/dbraw/zinc/46/11/63/782461163.db2.gz RZJDQORUONNNAP-WDEREUQCSA-N 1 1 310.358 -1.897 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666037 782465376 /nfs/dbraw/zinc/46/53/76/782465376.db2.gz OYMRNCVWQJSUPC-RYUDHWBXSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666037 782465381 /nfs/dbraw/zinc/46/53/81/782465381.db2.gz OYMRNCVWQJSUPC-RYUDHWBXSA-N 1 1 324.385 -1.552 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666280 782465746 /nfs/dbraw/zinc/46/57/46/782465746.db2.gz STXNSVPSXGXJAJ-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666280 782465749 /nfs/dbraw/zinc/46/57/49/782465749.db2.gz STXNSVPSXGXJAJ-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001099666522 782466953 /nfs/dbraw/zinc/46/69/53/782466953.db2.gz XZLLGOCXACDVBO-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001099666522 782466956 /nfs/dbraw/zinc/46/69/56/782466956.db2.gz XZLLGOCXACDVBO-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099647870 782462082 /nfs/dbraw/zinc/46/20/82/782462082.db2.gz KSUBFDIDZPAFNK-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)cc1=O ZINC001099743399 782475218 /nfs/dbraw/zinc/47/52/18/782475218.db2.gz JATYLEAUJFQVGQ-NWDGAFQWSA-N 1 1 322.365 -1.688 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099738885 782475288 /nfs/dbraw/zinc/47/52/88/782475288.db2.gz UALMERVBCBATOX-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099738885 782475293 /nfs/dbraw/zinc/47/52/93/782475293.db2.gz UALMERVBCBATOX-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnsn1 ZINC001099689135 782469031 /nfs/dbraw/zinc/46/90/31/782469031.db2.gz CWPJXXSBJBZEMY-ONGXEEELSA-N 1 1 316.383 -1.288 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099689590 782469364 /nfs/dbraw/zinc/46/93/64/782469364.db2.gz HBKIGIXCYYSBGK-QWHCGFSZSA-N 1 1 324.385 -1.692 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704367 782469454 /nfs/dbraw/zinc/46/94/54/782469454.db2.gz KSDXYKBPAREBKW-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704366 782469836 /nfs/dbraw/zinc/46/98/36/782469836.db2.gz KSDXYKBPAREBKW-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099689584 782470039 /nfs/dbraw/zinc/47/00/39/782470039.db2.gz GZUINRRINDTRHZ-VXGBXAGGSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099689584 782470043 /nfs/dbraw/zinc/47/00/43/782470043.db2.gz GZUINRRINDTRHZ-VXGBXAGGSA-N 1 1 314.386 -1.896 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099705423 782471248 /nfs/dbraw/zinc/47/12/48/782471248.db2.gz ZZGTXBVALKJVQF-MNOVXSKESA-N 1 1 319.358 -2.097 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099705422 782471364 /nfs/dbraw/zinc/47/13/64/782471364.db2.gz ZZGTXBVALKJVQF-GHMZBOCLSA-N 1 1 319.358 -2.097 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099713284 782471397 /nfs/dbraw/zinc/47/13/97/782471397.db2.gz VQJPJSNHBXTOAC-AAEUAGOBSA-N 1 1 312.370 -1.406 20 0 DAADMO CCCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099715955 782471414 /nfs/dbraw/zinc/47/14/14/782471414.db2.gz NUAGDKKJYAGFGL-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099705425 782471433 /nfs/dbraw/zinc/47/14/33/782471433.db2.gz ZZGTXBVALKJVQF-WDEREUQCSA-N 1 1 319.358 -2.097 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099705424 782471717 /nfs/dbraw/zinc/47/17/17/782471717.db2.gz ZZGTXBVALKJVQF-QWRGUYRKSA-N 1 1 319.358 -2.097 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099738350 782472635 /nfs/dbraw/zinc/47/26/35/782472635.db2.gz MKJJMQACJCTVLL-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099737556 782472648 /nfs/dbraw/zinc/47/26/48/782472648.db2.gz AEWVTPCEVFOQHO-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099737556 782472653 /nfs/dbraw/zinc/47/26/53/782472653.db2.gz AEWVTPCEVFOQHO-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099737854 782473387 /nfs/dbraw/zinc/47/33/87/782473387.db2.gz FICCYENRQDSEOO-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099737854 782473392 /nfs/dbraw/zinc/47/33/92/782473392.db2.gz FICCYENRQDSEOO-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099758030 782479494 /nfs/dbraw/zinc/47/94/94/782479494.db2.gz NJVZWMWPYVADIO-NXEZZACHSA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760822 782481646 /nfs/dbraw/zinc/48/16/46/782481646.db2.gz ONRDAUSQBJSYSI-JQWIXIFHSA-N 1 1 307.354 -1.288 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099777807 782480951 /nfs/dbraw/zinc/48/09/51/782480951.db2.gz CMZJWMCYJURUAP-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760809 782481017 /nfs/dbraw/zinc/48/10/17/782481017.db2.gz OGGDMJDUPLVJKD-BDAKNGLRSA-N 1 1 322.387 -3.038 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760809 782481020 /nfs/dbraw/zinc/48/10/20/782481020.db2.gz OGGDMJDUPLVJKD-BDAKNGLRSA-N 1 1 322.387 -3.038 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001099744506 782476551 /nfs/dbraw/zinc/47/65/51/782476551.db2.gz VAEFIEZRQUJZGG-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001099744506 782476556 /nfs/dbraw/zinc/47/65/56/782476556.db2.gz VAEFIEZRQUJZGG-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001099744509 782477497 /nfs/dbraw/zinc/47/74/97/782477497.db2.gz VAEFIEZRQUJZGG-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001099744509 782477501 /nfs/dbraw/zinc/47/75/01/782477501.db2.gz VAEFIEZRQUJZGG-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099746014 782477574 /nfs/dbraw/zinc/47/75/74/782477574.db2.gz BFFGNDWWTDQEEP-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757226 782477818 /nfs/dbraw/zinc/47/78/18/782477818.db2.gz AZJRDRUUXFOFGB-QWRGUYRKSA-N 1 1 314.386 -1.720 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757226 782477823 /nfs/dbraw/zinc/47/78/23/782477823.db2.gz AZJRDRUUXFOFGB-QWRGUYRKSA-N 1 1 314.386 -1.720 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758498 782478669 /nfs/dbraw/zinc/47/86/69/782478669.db2.gz TZVFIAOXBRECCD-GHMZBOCLSA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099758031 782479068 /nfs/dbraw/zinc/47/90/68/782479068.db2.gz NJVZWMWPYVADIO-UWVGGRQHSA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760822 782481642 /nfs/dbraw/zinc/48/16/42/782481642.db2.gz ONRDAUSQBJSYSI-JQWIXIFHSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099758553 782479330 /nfs/dbraw/zinc/47/93/30/782479330.db2.gz UXGKVUXRYCJZMB-STQMWFEESA-N 1 1 323.397 -1.073 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099788445 782482998 /nfs/dbraw/zinc/48/29/98/782482998.db2.gz FBQQVKXOUGFGEZ-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099788445 782483001 /nfs/dbraw/zinc/48/30/01/782483001.db2.gz FBQQVKXOUGFGEZ-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099787184 782483008 /nfs/dbraw/zinc/48/30/08/782483008.db2.gz UKHBPMABKCTVKX-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099789620 782483367 /nfs/dbraw/zinc/48/33/67/782483367.db2.gz PBGHKODIVIAKQS-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099789620 782483376 /nfs/dbraw/zinc/48/33/76/782483376.db2.gz PBGHKODIVIAKQS-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099788443 782483450 /nfs/dbraw/zinc/48/34/50/782483450.db2.gz FBQQVKXOUGFGEZ-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099788443 782483454 /nfs/dbraw/zinc/48/34/54/782483454.db2.gz FBQQVKXOUGFGEZ-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099787183 782483707 /nfs/dbraw/zinc/48/37/07/782483707.db2.gz UKHBPMABKCTVKX-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099788442 782483817 /nfs/dbraw/zinc/48/38/17/782483817.db2.gz FBQQVKXOUGFGEZ-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099788442 782483824 /nfs/dbraw/zinc/48/38/24/782483824.db2.gz FBQQVKXOUGFGEZ-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099791581 782484546 /nfs/dbraw/zinc/48/45/46/782484546.db2.gz HESFVQCGHDHECT-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099791643 782484714 /nfs/dbraw/zinc/48/47/14/782484714.db2.gz IDPNJKXUJONZBM-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099791643 782484724 /nfs/dbraw/zinc/48/47/24/782484724.db2.gz IDPNJKXUJONZBM-NWDGAFQWSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099791534 782485311 /nfs/dbraw/zinc/48/53/11/782485311.db2.gz GQQDKMPMARZGOV-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099791534 782485318 /nfs/dbraw/zinc/48/53/18/782485318.db2.gz GQQDKMPMARZGOV-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099791335 782485476 /nfs/dbraw/zinc/48/54/76/782485476.db2.gz DASQAJILAIEYOR-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099791253 782485700 /nfs/dbraw/zinc/48/57/00/782485700.db2.gz BMRIEHJACSZMPR-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099791253 782485704 /nfs/dbraw/zinc/48/57/04/782485704.db2.gz BMRIEHJACSZMPR-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099791337 782485731 /nfs/dbraw/zinc/48/57/31/782485731.db2.gz DASQAJILAIEYOR-WDEREUQCSA-N 1 1 303.359 -2.317 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099789619 782482330 /nfs/dbraw/zinc/48/23/30/782482330.db2.gz PBGHKODIVIAKQS-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099789619 782482335 /nfs/dbraw/zinc/48/23/35/782482335.db2.gz PBGHKODIVIAKQS-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099796788 782488799 /nfs/dbraw/zinc/48/87/99/782488799.db2.gz JBCAJQSHHSWLSD-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099796790 782489405 /nfs/dbraw/zinc/48/94/05/782489405.db2.gz JBCAJQSHHSWLSD-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099792641 782487260 /nfs/dbraw/zinc/48/72/60/782487260.db2.gz XMALIRQKBYJKHU-STQMWFEESA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099792641 782487268 /nfs/dbraw/zinc/48/72/68/782487268.db2.gz XMALIRQKBYJKHU-STQMWFEESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099799839 782488315 /nfs/dbraw/zinc/48/83/15/782488315.db2.gz SUCWCRGSNVEORJ-OLZOCXBDSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099809514 782490410 /nfs/dbraw/zinc/49/04/10/782490410.db2.gz ITFRMTWCXUAUMA-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099809514 782490417 /nfs/dbraw/zinc/49/04/17/782490417.db2.gz ITFRMTWCXUAUMA-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804350 782490883 /nfs/dbraw/zinc/49/08/83/782490883.db2.gz LWUCYFWRTXVPJG-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804350 782490903 /nfs/dbraw/zinc/49/09/03/782490903.db2.gz LWUCYFWRTXVPJG-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801956 782489649 /nfs/dbraw/zinc/48/96/49/782489649.db2.gz MYWCKTZAXRVFAN-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801956 782489653 /nfs/dbraw/zinc/48/96/53/782489653.db2.gz MYWCKTZAXRVFAN-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099802025 782490263 /nfs/dbraw/zinc/49/02/63/782490263.db2.gz OBHWJQWKGCBMQR-JQWIXIFHSA-N 1 1 313.358 -2.011 20 0 DAADMO COCCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099841755 782496307 /nfs/dbraw/zinc/49/63/07/782496307.db2.gz MVSSEOAVBSMTJY-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099841755 782496312 /nfs/dbraw/zinc/49/63/12/782496312.db2.gz MVSSEOAVBSMTJY-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099840621 782496496 /nfs/dbraw/zinc/49/64/96/782496496.db2.gz DZIXGPQDHZMVFR-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099845465 782496633 /nfs/dbraw/zinc/49/66/33/782496633.db2.gz XRCNKVPSJXVNON-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099845465 782496637 /nfs/dbraw/zinc/49/66/37/782496637.db2.gz XRCNKVPSJXVNON-VXGBXAGGSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099838031 782496901 /nfs/dbraw/zinc/49/69/01/782496901.db2.gz HDHVAVINIQKKAO-VXGBXAGGSA-N 1 1 312.374 -1.351 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001099815879 782493051 /nfs/dbraw/zinc/49/30/51/782493051.db2.gz NPOFJEIYYCXQFW-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001099815879 782493056 /nfs/dbraw/zinc/49/30/56/782493056.db2.gz NPOFJEIYYCXQFW-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001099813157 782493126 /nfs/dbraw/zinc/49/31/26/782493126.db2.gz KTUVVVOAKNMTMN-TZMCWYRMSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099811463 782493280 /nfs/dbraw/zinc/49/32/80/782493280.db2.gz ZGTQRLHNLDNXJI-NWDGAFQWSA-N 1 1 311.386 -1.010 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001099833441 782494120 /nfs/dbraw/zinc/49/41/20/782494120.db2.gz WDLLVLKWFDHKHO-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099832918 782494513 /nfs/dbraw/zinc/49/45/13/782494513.db2.gz OPEYFJHOTMHYNM-QWRGUYRKSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001099833442 782494819 /nfs/dbraw/zinc/49/48/19/782494819.db2.gz WDLLVLKWFDHKHO-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099858650 782498232 /nfs/dbraw/zinc/49/82/32/782498232.db2.gz OYSUNRHSHFXRMY-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099858650 782498238 /nfs/dbraw/zinc/49/82/38/782498238.db2.gz OYSUNRHSHFXRMY-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099848972 782499090 /nfs/dbraw/zinc/49/90/90/782499090.db2.gz ZWAYJAIMEXEPAC-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099860685 782498746 /nfs/dbraw/zinc/49/87/46/782498746.db2.gz GNAKBAJAWOTZPY-MNOVXSKESA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099857990 782498846 /nfs/dbraw/zinc/49/88/46/782498846.db2.gz FWWIOJRUOJFBKW-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099857990 782498848 /nfs/dbraw/zinc/49/88/48/782498848.db2.gz FWWIOJRUOJFBKW-NEPJUHHUSA-N 1 1 324.385 -1.600 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099845331 782497651 /nfs/dbraw/zinc/49/76/51/782497651.db2.gz VSLNXVVORSYUMX-NWDGAFQWSA-N 1 1 313.358 -2.162 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099861419 782500869 /nfs/dbraw/zinc/50/08/69/782500869.db2.gz SEBFADHJRQKZFM-WDEREUQCSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099862996 782500924 /nfs/dbraw/zinc/50/09/24/782500924.db2.gz GXVHBZRPEWBNIS-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099863123 782500979 /nfs/dbraw/zinc/50/09/79/782500979.db2.gz IPZRWYIRFTYHTK-VXGBXAGGSA-N 1 1 317.386 -1.975 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099861805 782501037 /nfs/dbraw/zinc/50/10/37/782501037.db2.gz ZDFYIKXAHLLPOH-UWVGGRQHSA-N 1 1 309.388 -2.531 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001099861374 782501223 /nfs/dbraw/zinc/50/12/23/782501223.db2.gz RFJVXTGCCDDBBG-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001099861374 782501229 /nfs/dbraw/zinc/50/12/29/782501229.db2.gz RFJVXTGCCDDBBG-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099860810 782501747 /nfs/dbraw/zinc/50/17/47/782501747.db2.gz IJDIHFDGTIPTCM-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099862997 782501456 /nfs/dbraw/zinc/50/14/56/782501456.db2.gz GXVHBZRPEWBNIS-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863558 782501565 /nfs/dbraw/zinc/50/15/65/782501565.db2.gz NDANCTAIYWYFJL-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099862757 782501601 /nfs/dbraw/zinc/50/16/01/782501601.db2.gz ATQJXHNVZMABLJ-NWDGAFQWSA-N 1 1 317.386 -1.927 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 ZINC001099861084 782501667 /nfs/dbraw/zinc/50/16/67/782501667.db2.gz MXLAXLPYDNEUIA-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860349 782499238 /nfs/dbraw/zinc/49/92/38/782499238.db2.gz AHGJWKWKCWVOPX-MNOVXSKESA-N 1 1 307.416 -1.162 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099860989 782500568 /nfs/dbraw/zinc/50/05/68/782500568.db2.gz LFRDUHWNIYSKJV-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099860989 782500573 /nfs/dbraw/zinc/50/05/73/782500573.db2.gz LFRDUHWNIYSKJV-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099863461 782500582 /nfs/dbraw/zinc/50/05/82/782500582.db2.gz MQTIXVLIMQTUPB-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099860990 782500633 /nfs/dbraw/zinc/50/06/33/782500633.db2.gz LFRDUHWNIYSKJV-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099860990 782500642 /nfs/dbraw/zinc/50/06/42/782500642.db2.gz LFRDUHWNIYSKJV-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099883227 782503006 /nfs/dbraw/zinc/50/30/06/782503006.db2.gz YNMFVKQINRXXSO-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099883227 782503012 /nfs/dbraw/zinc/50/30/12/782503012.db2.gz YNMFVKQINRXXSO-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879336 782503759 /nfs/dbraw/zinc/50/37/59/782503759.db2.gz IVQWBHUPCUZDQD-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099860900 782501986 /nfs/dbraw/zinc/50/19/86/782501986.db2.gz JVWHLSFLECIZLO-GHMZBOCLSA-N 1 1 307.416 -1.115 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099861417 782502138 /nfs/dbraw/zinc/50/21/38/782502138.db2.gz SEBFADHJRQKZFM-MNOVXSKESA-N 1 1 323.415 -2.141 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099860809 782502226 /nfs/dbraw/zinc/50/22/26/782502226.db2.gz IJDIHFDGTIPTCM-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099860903 782502261 /nfs/dbraw/zinc/50/22/61/782502261.db2.gz JVWHLSFLECIZLO-WDEREUQCSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099888428 782505468 /nfs/dbraw/zinc/50/54/68/782505468.db2.gz WCKKVPRUBIIPIF-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099887725 782505618 /nfs/dbraw/zinc/50/56/18/782505618.db2.gz JVVXJIYROYYOKV-VXGBXAGGSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099888653 782506623 /nfs/dbraw/zinc/50/66/23/782506623.db2.gz YAFMIIVULPMHBV-WDEREUQCSA-N 1 1 324.385 -1.659 20 0 DAADMO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099906109 782511276 /nfs/dbraw/zinc/51/12/76/782511276.db2.gz JYOHWLGZIXLTAZ-UONOGXRCSA-N 1 1 324.381 -1.041 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099903593 782511441 /nfs/dbraw/zinc/51/14/41/782511441.db2.gz IPDCGKJOHVERFG-CHWSQXEVSA-N 1 1 324.381 -1.033 20 0 DAADMO CCNC(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099916174 782512613 /nfs/dbraw/zinc/51/26/13/782512613.db2.gz KBNWUZADNOOSLD-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001099923474 782513227 /nfs/dbraw/zinc/51/32/27/782513227.db2.gz DXGZTKAMTSFHIU-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnc2)[C@H](O)C1 ZINC001099939317 782514178 /nfs/dbraw/zinc/51/41/78/782514178.db2.gz DCZPTZBMDJSKTB-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnc2)[C@H](O)C1 ZINC001099939317 782514186 /nfs/dbraw/zinc/51/41/86/782514186.db2.gz DCZPTZBMDJSKTB-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnc2)[C@H](O)C1 ZINC001099939319 782514248 /nfs/dbraw/zinc/51/42/48/782514248.db2.gz DCZPTZBMDJSKTB-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnc2)[C@H](O)C1 ZINC001099939319 782514252 /nfs/dbraw/zinc/51/42/52/782514252.db2.gz DCZPTZBMDJSKTB-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001099939318 782515332 /nfs/dbraw/zinc/51/53/32/782515332.db2.gz DCZPTZBMDJSKTB-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001099939318 782515340 /nfs/dbraw/zinc/51/53/40/782515340.db2.gz DCZPTZBMDJSKTB-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOCC3CC3)C[C@H]2O)n1 ZINC001099946410 782517145 /nfs/dbraw/zinc/51/71/45/782517145.db2.gz FYUXCRWWUVORTP-VXGBXAGGSA-N 1 1 324.385 -1.198 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973339 782518805 /nfs/dbraw/zinc/51/88/05/782518805.db2.gz BINDNNGSQSZDSJ-QWRGUYRKSA-N 1 1 316.358 -2.824 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001099975261 782518880 /nfs/dbraw/zinc/51/88/80/782518880.db2.gz ZVBFNTOBCSDELD-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001099973916 782519058 /nfs/dbraw/zinc/51/90/58/782519058.db2.gz KVOMOHNJUSFEFQ-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972509 782519071 /nfs/dbraw/zinc/51/90/71/782519071.db2.gz XZRUZHGXLAZGBD-QWRGUYRKSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972509 782519076 /nfs/dbraw/zinc/51/90/76/782519076.db2.gz XZRUZHGXLAZGBD-QWRGUYRKSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973340 782519785 /nfs/dbraw/zinc/51/97/85/782519785.db2.gz BINDNNGSQSZDSJ-WDEREUQCSA-N 1 1 316.358 -2.824 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973338 782519800 /nfs/dbraw/zinc/51/98/00/782519800.db2.gz BINDNNGSQSZDSJ-MNOVXSKESA-N 1 1 316.358 -2.824 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099938178 782515610 /nfs/dbraw/zinc/51/56/10/782515610.db2.gz RSEYTJRSSSAMNX-RKDXNWHRSA-N 1 1 312.367 -2.439 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099938178 782515619 /nfs/dbraw/zinc/51/56/19/782515619.db2.gz RSEYTJRSSSAMNX-RKDXNWHRSA-N 1 1 312.367 -2.439 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099936828 782515671 /nfs/dbraw/zinc/51/56/71/782515671.db2.gz FHLBMFWWFJNQQE-QWHCGFSZSA-N 1 1 312.370 -1.108 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001099978384 782520897 /nfs/dbraw/zinc/52/08/97/782520897.db2.gz FNGBZEVRVPSNLW-QWRGUYRKSA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC001099978384 782520904 /nfs/dbraw/zinc/52/09/04/782520904.db2.gz FNGBZEVRVPSNLW-QWRGUYRKSA-N 1 1 324.381 -1.964 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980172 782521843 /nfs/dbraw/zinc/52/18/43/782521843.db2.gz CTQREVCOYDYHDG-WDEREUQCSA-N 1 1 323.415 -1.747 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001099978385 782522006 /nfs/dbraw/zinc/52/20/06/782522006.db2.gz FNGBZEVRVPSNLW-WDEREUQCSA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001099978385 782522012 /nfs/dbraw/zinc/52/20/12/782522012.db2.gz FNGBZEVRVPSNLW-WDEREUQCSA-N 1 1 324.381 -1.964 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978673 782522443 /nfs/dbraw/zinc/52/24/43/782522443.db2.gz JRBHLLTZEDNAAQ-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099978673 782522451 /nfs/dbraw/zinc/52/24/51/782522451.db2.gz JRBHLLTZEDNAAQ-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001099980366 782522588 /nfs/dbraw/zinc/52/25/88/782522588.db2.gz GWYJVMFVNXLSPR-NWDGAFQWSA-N 1 1 321.381 -1.300 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100010761 782525380 /nfs/dbraw/zinc/52/53/80/782525380.db2.gz KAOAACQBYUDCQU-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc2nnnn2n1 ZINC001099997161 782527509 /nfs/dbraw/zinc/52/75/09/782527509.db2.gz ZJYWMIUGVCDXIE-JTQLQIEISA-N 1 1 320.357 -1.598 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc2nnnn2n1 ZINC001099997161 782527516 /nfs/dbraw/zinc/52/75/16/782527516.db2.gz ZJYWMIUGVCDXIE-JTQLQIEISA-N 1 1 320.357 -1.598 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016822 782529243 /nfs/dbraw/zinc/52/92/43/782529243.db2.gz AAAKPOALIJEDBN-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016822 782529251 /nfs/dbraw/zinc/52/92/51/782529251.db2.gz AAAKPOALIJEDBN-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100029013 782531873 /nfs/dbraw/zinc/53/18/73/782531873.db2.gz GUPNFPFVKQFGQB-VXGBXAGGSA-N 1 1 317.386 -1.975 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001100027294 782531773 /nfs/dbraw/zinc/53/17/73/782531773.db2.gz OFOUROGFERNXRU-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001100027294 782531779 /nfs/dbraw/zinc/53/17/79/782531779.db2.gz OFOUROGFERNXRU-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100029010 782531397 /nfs/dbraw/zinc/53/13/97/782531397.db2.gz GUPNFPFVKQFGQB-NEPJUHHUSA-N 1 1 317.386 -1.975 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100030009 782531913 /nfs/dbraw/zinc/53/19/13/782531913.db2.gz UWSUWJFKKHXTFE-ZYHUDNBSSA-N 1 1 313.358 -2.011 20 0 DAADMO O=C(CCN1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100036366 782533503 /nfs/dbraw/zinc/53/35/03/782533503.db2.gz FLKVKTYXTLUFPC-UONOGXRCSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100037469 782533770 /nfs/dbraw/zinc/53/37/70/782533770.db2.gz ZVMYJEGWCJYYFM-MNOVXSKESA-N 1 1 310.354 -1.502 20 0 DAADMO NC(=O)CN1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036211 782534182 /nfs/dbraw/zinc/53/41/82/782534182.db2.gz BPWJHVNFYCSUBC-VXGBXAGGSA-N 1 1 314.386 -2.255 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100037117 782534546 /nfs/dbraw/zinc/53/45/46/782534546.db2.gz UIVPKBGWVYASPM-NWDGAFQWSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(CCN1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100036963 782535381 /nfs/dbraw/zinc/53/53/81/782535381.db2.gz QFKGWRPQGDGUKC-STQMWFEESA-N 1 1 301.387 -1.748 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001100048822 782538511 /nfs/dbraw/zinc/53/85/11/782538511.db2.gz RQNSGJHNSNUIFB-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001100048822 782538519 /nfs/dbraw/zinc/53/85/19/782538519.db2.gz RQNSGJHNSNUIFB-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100048423 782538425 /nfs/dbraw/zinc/53/84/25/782538425.db2.gz LIKNTICPXCOVLP-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001100047062 782538741 /nfs/dbraw/zinc/53/87/41/782538741.db2.gz WVVJNCVWDMMSMD-QWRGUYRKSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)c1cnon1 ZINC001100042219 782539594 /nfs/dbraw/zinc/53/95/94/782539594.db2.gz VXNRUOCEGDTHPM-PWSUYJOCSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)c1cnon1 ZINC001100042219 782539600 /nfs/dbraw/zinc/53/96/00/782539600.db2.gz VXNRUOCEGDTHPM-PWSUYJOCSA-N 1 1 323.353 -1.239 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058038 782541720 /nfs/dbraw/zinc/54/17/20/782541720.db2.gz MGFNINMOSAGSME-GHMZBOCLSA-N 1 1 313.358 -2.125 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058306 782541777 /nfs/dbraw/zinc/54/17/77/782541777.db2.gz QDLABMNFWPIEEV-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058308 782542214 /nfs/dbraw/zinc/54/22/14/782542214.db2.gz QDLABMNFWPIEEV-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001100051586 782542326 /nfs/dbraw/zinc/54/23/26/782542326.db2.gz XYQMTSARWLJWTL-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO O=C(CCCn1cncn1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100062177 782543574 /nfs/dbraw/zinc/54/35/74/782543574.db2.gz PLVOJNYZIWSYAZ-CHWSQXEVSA-N 1 1 311.386 -1.008 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100072649 782545078 /nfs/dbraw/zinc/54/50/78/782545078.db2.gz YPCUXHUCMDZTGH-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100064267 782545427 /nfs/dbraw/zinc/54/54/27/782545427.db2.gz KPIQWPSNWVXQCS-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100064267 782545435 /nfs/dbraw/zinc/54/54/35/782545435.db2.gz KPIQWPSNWVXQCS-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100078794 782546368 /nfs/dbraw/zinc/54/63/68/782546368.db2.gz OMUHSBIADNTPRP-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC)C[C@@H]1O ZINC001100083110 782546976 /nfs/dbraw/zinc/54/69/76/782546976.db2.gz NGHVIWQBRYUYNC-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001100085055 782546902 /nfs/dbraw/zinc/54/69/02/782546902.db2.gz FPQIRUFKTXNWBZ-RYUDHWBXSA-N 1 1 313.398 -1.164 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100083874 782547489 /nfs/dbraw/zinc/54/74/89/782547489.db2.gz WZEWVUXZMCDWSC-UONOGXRCSA-N 1 1 321.377 -1.040 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001100072685 782547909 /nfs/dbraw/zinc/54/79/09/782547909.db2.gz ZBEDJXDYHCYXFH-NWDGAFQWSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100092204 782549057 /nfs/dbraw/zinc/54/90/57/782549057.db2.gz LDDVJLZRHLMPPQ-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100092204 782549061 /nfs/dbraw/zinc/54/90/61/782549061.db2.gz LDDVJLZRHLMPPQ-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096838 782549614 /nfs/dbraw/zinc/54/96/14/782549614.db2.gz NQINSWHLQVRBOP-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096975 782550012 /nfs/dbraw/zinc/55/00/12/782550012.db2.gz PLKZMQSJKGRYRC-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100092641 782550638 /nfs/dbraw/zinc/55/06/38/782550638.db2.gz PZIZBUBKWRETMA-UWVGGRQHSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100092875 782550767 /nfs/dbraw/zinc/55/07/67/782550767.db2.gz UEVLHBBZVUXFMF-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100106545 782552243 /nfs/dbraw/zinc/55/22/43/782552243.db2.gz WCYIVCVGABXMJC-WDEREUQCSA-N 1 1 318.374 -2.395 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100101937 782552579 /nfs/dbraw/zinc/55/25/79/782552579.db2.gz VJFPZZYUWVSZGI-RYUDHWBXSA-N 1 1 313.358 -2.162 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001100102828 782552806 /nfs/dbraw/zinc/55/28/06/782552806.db2.gz BKTRXIXSZQXEES-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100115621 782553812 /nfs/dbraw/zinc/55/38/12/782553812.db2.gz ABZWPTREHRTEIL-QWHCGFSZSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100115622 782553972 /nfs/dbraw/zinc/55/39/72/782553972.db2.gz ABZWPTREHRTEIL-STQMWFEESA-N 1 1 313.398 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001100117178 782555084 /nfs/dbraw/zinc/55/50/84/782555084.db2.gz DBXBFHUTCYYXJX-WDEREUQCSA-N 1 1 307.416 -1.257 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100114689 782555222 /nfs/dbraw/zinc/55/52/22/782555222.db2.gz RZNIGAVLHPKUMI-NEPJUHHUSA-N 1 1 322.427 -1.255 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100114689 782555223 /nfs/dbraw/zinc/55/52/23/782555223.db2.gz RZNIGAVLHPKUMI-NEPJUHHUSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100119259 782556459 /nfs/dbraw/zinc/55/64/59/782556459.db2.gz HLIDHPMQLXPRGK-AAEUAGOBSA-N 1 1 322.365 -1.645 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001100117901 782556578 /nfs/dbraw/zinc/55/65/78/782556578.db2.gz RAWXRJWOSZDMJV-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001100117888 782556552 /nfs/dbraw/zinc/55/65/52/782556552.db2.gz QYFYZYYIXWWJGW-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117843 782556718 /nfs/dbraw/zinc/55/67/18/782556718.db2.gz QBOHOMOSBSMYHG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126703 782557506 /nfs/dbraw/zinc/55/75/06/782557506.db2.gz LJYZZHWZEAUSLA-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100117285 782558096 /nfs/dbraw/zinc/55/80/96/782558096.db2.gz GGECMDNYOPTMRY-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100126664 782558139 /nfs/dbraw/zinc/55/81/39/782558139.db2.gz KTLUPLIKNQSXIQ-QWRGUYRKSA-N 1 1 316.402 -1.108 20 0 DAADMO CCOCCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100134778 782558869 /nfs/dbraw/zinc/55/88/69/782558869.db2.gz WIBLGWOHAZMSRW-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131986 782558896 /nfs/dbraw/zinc/55/88/96/782558896.db2.gz LQXGCSKHWCXDCW-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100134849 782560274 /nfs/dbraw/zinc/56/02/74/782560274.db2.gz XUYJSHXDIRRYLR-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147044 782561317 /nfs/dbraw/zinc/56/13/17/782561317.db2.gz BQQFIHZTRLJXHF-QWHCGFSZSA-N 1 1 311.386 -1.055 20 0 DAADMO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100143138 782562748 /nfs/dbraw/zinc/56/27/48/782562748.db2.gz OQDRTCNTNZUELD-RYUDHWBXSA-N 1 1 317.386 -1.798 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475152 782576103 /nfs/dbraw/zinc/57/61/03/782576103.db2.gz FEOUBIXJOVQMRL-UHFFFAOYSA-N 1 1 323.357 -1.252 20 0 DAADMO C[C@H]([NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1)C(=O)NC(N)=O ZINC001100475196 782577245 /nfs/dbraw/zinc/57/72/45/782577245.db2.gz HHXXZBWDJJOMTQ-KKMMWDRVSA-N 1 1 309.330 -1.514 20 0 DAADMO CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100767805 782583160 /nfs/dbraw/zinc/58/31/60/782583160.db2.gz DUEOWSJJOOOSTC-UHFFFAOYSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100767805 782583162 /nfs/dbraw/zinc/58/31/62/782583162.db2.gz DUEOWSJJOOOSTC-UHFFFAOYSA-N 1 1 301.372 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001100753570 782583272 /nfs/dbraw/zinc/58/32/72/782583272.db2.gz GSNKYKMTZBDQKX-HSOILSAZSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCn2cnnn2)C1 ZINC001100783434 782584386 /nfs/dbraw/zinc/58/43/86/782584386.db2.gz HUFMENJUROCXEW-UHFFFAOYSA-N 1 1 320.361 -1.729 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001100668655 782581932 /nfs/dbraw/zinc/58/19/32/782581932.db2.gz DLPGJAGVRNHRAS-FDZGAKKTSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@@H]([NH2+]C1CC(CNC(=O)Cc2nnc[nH]2)C1)C(=O)NC(N)=O ZINC001100851925 782585554 /nfs/dbraw/zinc/58/55/54/782585554.db2.gz NCLWAEMSPPQYNQ-AFPNSQJFSA-N 1 1 323.357 -1.585 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100986377 782588800 /nfs/dbraw/zinc/58/88/00/782588800.db2.gz SOUBZMRHINZBOQ-HIFPTAJRSA-N 1 1 312.414 -1.076 20 0 DAADMO NC(=O)C(=O)NCc1cc(O[C@H]2CC[N@@H+](CCO)C2)ccn1 ZINC001101095808 782589737 /nfs/dbraw/zinc/58/97/37/782589737.db2.gz RDWVDEXBYZWULY-LBPRGKRZSA-N 1 1 308.338 -1.372 20 0 DAADMO COCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101098736 782590864 /nfs/dbraw/zinc/59/08/64/782590864.db2.gz KTURZDABYVKANX-RBZYPMLTSA-N 1 1 312.370 -1.004 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101110776 782590889 /nfs/dbraw/zinc/59/08/89/782590889.db2.gz FSLMLYNYKXFRBT-JMSVASOKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@]12CN(C(=O)CCNC(N)=O)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001101456376 782594799 /nfs/dbraw/zinc/59/47/99/782594799.db2.gz RGRZMRDZXRTWIV-HFAKWTLXSA-N 1 1 323.397 -1.286 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001101327126 782595023 /nfs/dbraw/zinc/59/50/23/782595023.db2.gz QHUXOUFDPMJFHJ-SUNKGSAMSA-N 1 1 324.385 -1.389 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101375187 782595185 /nfs/dbraw/zinc/59/51/85/782595185.db2.gz GITVNZGZTFCWIN-LOWVWBTDSA-N 1 1 319.427 -1.303 20 0 DAADMO C[NH+](C)CCOCC(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 ZINC001101432321 782595350 /nfs/dbraw/zinc/59/53/50/782595350.db2.gz LTWMKVJCMDYCBW-DOMZBBRYSA-N 1 1 312.414 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101258920 782591420 /nfs/dbraw/zinc/59/14/20/782591420.db2.gz SWEOMFLKGVUWBD-HFAKWTLXSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@]12CN(C(=O)c3cc[nH]n3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101130951 782591885 /nfs/dbraw/zinc/59/18/85/782591885.db2.gz LNEJTJRWGCQCKX-OTYXRUKQSA-N 1 1 320.353 -1.002 20 0 DAADMO C[C@]12CN(C(=O)c3cc[nH]n3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101130951 782591888 /nfs/dbraw/zinc/59/18/88/782591888.db2.gz LNEJTJRWGCQCKX-OTYXRUKQSA-N 1 1 320.353 -1.002 20 0 DAADMO C[C@]12CN(C(=O)c3ccn[nH]3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101130951 782591891 /nfs/dbraw/zinc/59/18/91/782591891.db2.gz LNEJTJRWGCQCKX-OTYXRUKQSA-N 1 1 320.353 -1.002 20 0 DAADMO C[C@]12CN(C(=O)c3ccn[nH]3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101130951 782591899 /nfs/dbraw/zinc/59/18/99/782591899.db2.gz LNEJTJRWGCQCKX-OTYXRUKQSA-N 1 1 320.353 -1.002 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101240694 782592327 /nfs/dbraw/zinc/59/23/27/782592327.db2.gz FQTMBAGRYBDYIK-DYEKYZERSA-N 1 1 324.385 -1.539 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122633 782592851 /nfs/dbraw/zinc/59/28/51/782592851.db2.gz QGQHYFRMJIUVGJ-SUNKGSAMSA-N 1 1 314.386 -1.558 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101212096 782592950 /nfs/dbraw/zinc/59/29/50/782592950.db2.gz VEZUCCSYWCDETK-DOMZBBRYSA-N 1 1 313.398 -1.088 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122581 782593372 /nfs/dbraw/zinc/59/33/72/782593372.db2.gz NRRGWRKMHKQDDN-YGRLFVJLSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122581 782593375 /nfs/dbraw/zinc/59/33/75/782593375.db2.gz NRRGWRKMHKQDDN-YGRLFVJLSA-N 1 1 321.385 -1.236 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101258921 782593396 /nfs/dbraw/zinc/59/33/96/782593396.db2.gz SWEOMFLKGVUWBD-ZETOZRRWSA-N 1 1 323.397 -1.416 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001101465452 782594358 /nfs/dbraw/zinc/59/43/58/782594358.db2.gz ISZNUWQKILQGGR-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607286 782598242 /nfs/dbraw/zinc/59/82/42/782598242.db2.gz LDDVMQGFSQWDGL-ZJUUUORDSA-N 1 1 322.369 -1.496 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607284 782598375 /nfs/dbraw/zinc/59/83/75/782598375.db2.gz LDDVMQGFSQWDGL-UWVGGRQHSA-N 1 1 322.369 -1.496 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC2(C[NH+](C[C@H](C)O)C2)n2ccnc21 ZINC001101623805 782598409 /nfs/dbraw/zinc/59/84/09/782598409.db2.gz KNMPWFAFICBREW-QWRGUYRKSA-N 1 1 321.381 -1.028 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607283 782598631 /nfs/dbraw/zinc/59/86/31/782598631.db2.gz LDDVMQGFSQWDGL-NXEZZACHSA-N 1 1 322.369 -1.496 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101604214 782598659 /nfs/dbraw/zinc/59/86/59/782598659.db2.gz PTOQQDBHPMAMJA-GFCCVEGCSA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101623659 782598747 /nfs/dbraw/zinc/59/87/47/782598747.db2.gz IHWUUBNHJYLGEZ-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101624130 782599067 /nfs/dbraw/zinc/59/90/67/782599067.db2.gz PQYWDSSLQICLHW-SNVBAGLBSA-N 1 1 307.354 -1.417 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618994 782599080 /nfs/dbraw/zinc/59/90/80/782599080.db2.gz LVLUYSROVSXRLH-VHSXEESVSA-N 1 1 307.354 -1.289 20 0 DAADMO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001101641371 782599623 /nfs/dbraw/zinc/59/96/23/782599623.db2.gz OOQCRILUMJWCCE-VHSXEESVSA-N 1 1 323.353 -2.052 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)COC)[C@H](C)C1 ZINC001101656369 782599662 /nfs/dbraw/zinc/59/96/62/782599662.db2.gz YYPYWVUJUZTCAW-NXEZZACHSA-N 1 1 300.359 -1.228 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101684578 782599720 /nfs/dbraw/zinc/59/97/20/782599720.db2.gz KRDLJLIVBUWQEH-PSASIEDQSA-N 1 1 313.358 -1.999 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711010 782600088 /nfs/dbraw/zinc/60/00/88/782600088.db2.gz ILOCYTZKHLOSMZ-NXEZZACHSA-N 1 1 311.386 -1.383 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001101662344 782600282 /nfs/dbraw/zinc/60/02/82/782600282.db2.gz FFESSESHAUQCIL-GHMZBOCLSA-N 1 1 307.416 -1.134 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101637285 782600487 /nfs/dbraw/zinc/60/04/87/782600487.db2.gz ITFDYYZVQOMVLV-MNOVXSKESA-N 1 1 321.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001101683858 782600877 /nfs/dbraw/zinc/60/08/77/782600877.db2.gz LLFIXGJYTPSFMG-MWLCHTKSSA-N 1 1 324.385 -1.571 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1cccn1 ZINC001101719570 782602298 /nfs/dbraw/zinc/60/22/98/782602298.db2.gz CCXFSYIBGHIJJH-GHMZBOCLSA-N 1 1 322.369 -1.238 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716490 782602505 /nfs/dbraw/zinc/60/25/05/782602505.db2.gz AUQAWHCCKCIPAT-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711331 782602537 /nfs/dbraw/zinc/60/25/37/782602537.db2.gz WZEWFTYVJWWATC-GMTAPVOTSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001101747055 782602590 /nfs/dbraw/zinc/60/25/90/782602590.db2.gz MSLSCFHPKQBWSU-PSASIEDQSA-N 1 1 308.342 -1.098 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101717366 782602761 /nfs/dbraw/zinc/60/27/61/782602761.db2.gz YGGXCCXGTXZDFT-MXWKQRLJSA-N 1 1 307.358 -1.754 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838731 782604224 /nfs/dbraw/zinc/60/42/24/782604224.db2.gz PTPDPGUGVVNJJR-OPRDCNLKSA-N 1 1 310.354 -1.649 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001101966217 782607767 /nfs/dbraw/zinc/60/77/67/782607767.db2.gz CBQOPWKAKGZKDR-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCNC(=O)NC)[C@H](C)C1 ZINC001101938928 782608263 /nfs/dbraw/zinc/60/82/63/782608263.db2.gz CETLXDFWAGYMMP-GHMZBOCLSA-N 1 1 313.402 -1.264 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H](C)C1 ZINC001101810470 782604787 /nfs/dbraw/zinc/60/47/87/782604787.db2.gz JFCOJNKOFJGCOT-FDYHWXHSSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101889758 782604896 /nfs/dbraw/zinc/60/48/96/782604896.db2.gz RWCYTMDTZKLYAQ-MGPQQGTHSA-N 1 1 324.425 -1.109 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101978995 782608769 /nfs/dbraw/zinc/60/87/69/782608769.db2.gz ITKALSFSVMVRSX-VXGBXAGGSA-N 1 1 323.401 -1.165 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976816 782608822 /nfs/dbraw/zinc/60/88/22/782608822.db2.gz NEGJPSLDNNLEQH-IJLUTSLNSA-N 1 1 323.401 -1.166 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101908298 782606525 /nfs/dbraw/zinc/60/65/25/782606525.db2.gz NJNCDTWGUJLIFY-GMTAPVOTSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001101908368 782607236 /nfs/dbraw/zinc/60/72/36/782607236.db2.gz QQTONWACQXXPKC-IJLUTSLNSA-N 1 1 301.387 -1.186 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101902402 782607359 /nfs/dbraw/zinc/60/73/59/782607359.db2.gz NWXYYVVKGXUXBF-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001101928293 782609141 /nfs/dbraw/zinc/60/91/41/782609141.db2.gz WODBHIMJVQMUDS-UTUOFQBUSA-N 1 1 315.370 -1.212 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979713 782609200 /nfs/dbraw/zinc/60/92/00/782609200.db2.gz CNAHMCRBEGEENI-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979713 782609204 /nfs/dbraw/zinc/60/92/04/782609204.db2.gz CNAHMCRBEGEENI-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)Cn3ncnn3)[C@H](C)C2)[nH]1 ZINC001101979708 782609228 /nfs/dbraw/zinc/60/92/28/782609228.db2.gz CHKQLXAQXXRWTI-MWLCHTKSSA-N 1 1 319.373 -1.016 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)Cn3ncnn3)[C@H](C)C2)[nH]1 ZINC001101979708 782609232 /nfs/dbraw/zinc/60/92/32/782609232.db2.gz CHKQLXAQXXRWTI-MWLCHTKSSA-N 1 1 319.373 -1.016 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980064 782609251 /nfs/dbraw/zinc/60/92/51/782609251.db2.gz KRDNQRMGGVPRBI-MXWKQRLJSA-N 1 1 307.358 -1.754 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC001101983604 782610273 /nfs/dbraw/zinc/61/02/73/782610273.db2.gz GYTSKHVSJQCONU-GHMZBOCLSA-N 1 1 324.385 -1.293 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(=O)NC)[C@H](C)C1 ZINC001102021551 782610765 /nfs/dbraw/zinc/61/07/65/782610765.db2.gz RSTOJNAORCERDC-GHMZBOCLSA-N 1 1 313.402 -1.264 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101987948 782610780 /nfs/dbraw/zinc/61/07/80/782610780.db2.gz MHJGWCVHKRPURT-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102017735 782610805 /nfs/dbraw/zinc/61/08/05/782610805.db2.gz PLRKRXVVAXSOIY-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001102023705 782610968 /nfs/dbraw/zinc/61/09/68/782610968.db2.gz GAXLFXXJVXEVHL-VXGBXAGGSA-N 1 1 324.381 -1.777 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102024815 782612009 /nfs/dbraw/zinc/61/20/09/782612009.db2.gz OVRQIFGEQSOONP-OUAUKWLOSA-N 1 1 313.402 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H](C)C1 ZINC001102110790 782613082 /nfs/dbraw/zinc/61/30/82/782613082.db2.gz KREPDPIDWVETRQ-IWSPIJDZSA-N 1 1 320.340 -1.074 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1CCCNC1=O ZINC001102119628 782613124 /nfs/dbraw/zinc/61/31/24/782613124.db2.gz WPYDEGYNYDSXCT-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001102189932 782613178 /nfs/dbraw/zinc/61/31/78/782613178.db2.gz IVZPMARGGMXDPI-NXEZZACHSA-N 1 1 310.395 -1.306 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108436 782613336 /nfs/dbraw/zinc/61/33/36/782613336.db2.gz MUKNKKPXNGHEBC-GHMZBOCLSA-N 1 1 324.385 -1.988 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472731 782616960 /nfs/dbraw/zinc/61/69/60/782616960.db2.gz RMNHUJJEMSXRKS-OUAUKWLOSA-N 1 1 312.370 -1.397 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC001102472454 782617227 /nfs/dbraw/zinc/61/72/27/782617227.db2.gz DBWVAVANGRMZHA-GHMZBOCLSA-N 1 1 312.370 -1.395 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102449958 782617299 /nfs/dbraw/zinc/61/72/99/782617299.db2.gz UQCZZXUCIXJMHS-GHMZBOCLSA-N 1 1 323.401 -1.034 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)COCc1ncnn1C ZINC001102491929 782617497 /nfs/dbraw/zinc/61/74/97/782617497.db2.gz PPTKSVILVKNGHO-GHMZBOCLSA-N 1 1 324.385 -1.499 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC001102473144 782617986 /nfs/dbraw/zinc/61/79/86/782617986.db2.gz MBFFVAXHLVQZBL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001102473144 782617993 /nfs/dbraw/zinc/61/79/93/782617993.db2.gz MBFFVAXHLVQZBL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001102473144 782618000 /nfs/dbraw/zinc/61/80/00/782618000.db2.gz MBFFVAXHLVQZBL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](C)C1 ZINC001102474235 782618063 /nfs/dbraw/zinc/61/80/63/782618063.db2.gz LSZNQYBKUCNRPQ-RKDXNWHRSA-N 1 1 324.341 -1.177 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CN1CC(=O)N(C)C1=O ZINC001102511366 782618638 /nfs/dbraw/zinc/61/86/38/782618638.db2.gz TZSZECNJFHJVSZ-GHMZBOCLSA-N 1 1 312.370 -1.443 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472447 782618725 /nfs/dbraw/zinc/61/87/25/782618725.db2.gz CWQLYTDFJSEUDL-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001102186658 782613819 /nfs/dbraw/zinc/61/38/19/782613819.db2.gz NKHABBCZFTVREH-VXGBXAGGSA-N 1 1 311.386 -1.352 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(C)CNC(=O)C2)[C@H](C)C1 ZINC001102177110 782613864 /nfs/dbraw/zinc/61/38/64/782613864.db2.gz JEQNMHVMLBWSNX-UEKVPHQBSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ccnnc1 ZINC001102399089 782618767 /nfs/dbraw/zinc/61/87/67/782618767.db2.gz VJEIYMKYMLODOV-MWLCHTKSSA-N 1 1 320.353 -1.031 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001102470142 782618786 /nfs/dbraw/zinc/61/87/86/782618786.db2.gz OQDIJUSUWCDORN-VXGBXAGGSA-N 1 1 324.381 -1.397 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCn1cnnn1 ZINC001102479435 782618828 /nfs/dbraw/zinc/61/88/28/782618828.db2.gz PQQRXLJUJWHBAY-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)C(N)=O ZINC001102300833 782614824 /nfs/dbraw/zinc/61/48/24/782614824.db2.gz DZCCVLUNDHVGSI-IJLUTSLNSA-N 1 1 309.370 -1.587 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001102309202 782614846 /nfs/dbraw/zinc/61/48/46/782614846.db2.gz OJBHEOIQZCHIPQ-UTUOFQBUSA-N 1 1 313.398 -1.057 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304518 782615874 /nfs/dbraw/zinc/61/58/74/782615874.db2.gz KIHIMNSAKKTCGG-UTUOFQBUSA-N 1 1 317.386 -1.820 20 0 DAADMO COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102310117 782616081 /nfs/dbraw/zinc/61/60/81/782616081.db2.gz PTIVNEQSOJPTKT-GHMZBOCLSA-N 1 1 314.386 -1.692 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cncn2)[C@H](C)C1 ZINC001102556567 782621323 /nfs/dbraw/zinc/62/13/23/782621323.db2.gz FZZLGXYMBVWBHL-UPJWGTAASA-N 1 1 311.386 -1.031 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001102583401 782621411 /nfs/dbraw/zinc/62/14/11/782621411.db2.gz IYAWVUCLNLXCJL-OUAUKWLOSA-N 1 1 307.416 -1.400 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654791 782621824 /nfs/dbraw/zinc/62/18/24/782621824.db2.gz AVDKTBUPUNYPOT-GMTAPVOTSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CN=NC2=O)C1 ZINC001102889482 782622222 /nfs/dbraw/zinc/62/22/22/782622222.db2.gz BKLWYXGCOQSVQQ-GMTAPVOTSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654387 782622376 /nfs/dbraw/zinc/62/23/76/782622376.db2.gz IJJWPZIVPTYDCT-NXEZZACHSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654387 782622382 /nfs/dbraw/zinc/62/23/82/782622382.db2.gz IJJWPZIVPTYDCT-NXEZZACHSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656479 782622409 /nfs/dbraw/zinc/62/24/09/782622409.db2.gz BRAHRKUCITYVPY-GMTAPVOTSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CN=NC2=O)C1 ZINC001102889483 782623057 /nfs/dbraw/zinc/62/30/57/782623057.db2.gz BKLWYXGCOQSVQQ-OUAUKWLOSA-N 1 1 324.385 -1.068 20 0 DAADMO COCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102625111 782623115 /nfs/dbraw/zinc/62/31/15/782623115.db2.gz YKCSFMJTTGINBB-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656353 782623601 /nfs/dbraw/zinc/62/36/01/782623601.db2.gz WJKNCFLKEFUXGZ-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102992875 782623928 /nfs/dbraw/zinc/62/39/28/782623928.db2.gz JNWGWAWJHXVVMR-GRYCIOLGSA-N 1 1 323.401 -1.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001103059053 782624290 /nfs/dbraw/zinc/62/42/90/782624290.db2.gz XADKMMOEOMMVHF-GHMZBOCLSA-N 1 1 313.402 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001102622964 782620164 /nfs/dbraw/zinc/62/01/64/782620164.db2.gz NHZSZUFMEPUDSM-KXUCPTDWSA-N 1 1 310.354 -1.791 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC001102563433 782620845 /nfs/dbraw/zinc/62/08/45/782620845.db2.gz XLUZVHDEWAKSDM-OUAUKWLOSA-N 1 1 324.381 -1.307 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001102560597 782620995 /nfs/dbraw/zinc/62/09/95/782620995.db2.gz CGIVVCWZLMMBSV-GHMZBOCLSA-N 1 1 312.370 -1.395 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001103789603 782628233 /nfs/dbraw/zinc/62/82/33/782628233.db2.gz JRURCKRSIKKZMX-GMTAPVOTSA-N 1 1 324.381 -1.401 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CS(=O)(=O)N(C)C ZINC001103684567 782626019 /nfs/dbraw/zinc/62/60/19/782626019.db2.gz NOOLASGJVUBSFE-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103390073 782626047 /nfs/dbraw/zinc/62/60/47/782626047.db2.gz DHOXMZVQUNJCST-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001103731507 782626353 /nfs/dbraw/zinc/62/63/53/782626353.db2.gz KIOUPGTVQUFJQQ-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103391529 782626367 /nfs/dbraw/zinc/62/63/67/782626367.db2.gz KBTUYGWNKYLODC-GHMZBOCLSA-N 1 1 324.381 -1.305 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001103532903 782626414 /nfs/dbraw/zinc/62/64/14/782626414.db2.gz XOKMYJAHCHPMNW-NXEZZACHSA-N 1 1 324.381 -1.401 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391654 782626610 /nfs/dbraw/zinc/62/66/10/782626610.db2.gz PVHBUWMZZRFXDD-RKDXNWHRSA-N 1 1 310.358 -1.832 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103332460 782626846 /nfs/dbraw/zinc/62/68/46/782626846.db2.gz UXUYSTIYJODTCL-KXUCPTDWSA-N 1 1 309.374 -1.228 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001103317017 782626873 /nfs/dbraw/zinc/62/68/73/782626873.db2.gz XWXNBZOBQUNHCC-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001103381750 782626900 /nfs/dbraw/zinc/62/69/00/782626900.db2.gz QDYGLWMGZAFRPM-MXWKQRLJSA-N 1 1 311.386 -1.512 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CNC(N)=O)C2)C1=O ZINC001111586299 782631456 /nfs/dbraw/zinc/63/14/56/782631456.db2.gz PVPJXBZTJYLKGK-PGUXBMHVSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111585294 782632147 /nfs/dbraw/zinc/63/21/47/782632147.db2.gz NWHGGELBKKMHAG-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586073 782632182 /nfs/dbraw/zinc/63/21/82/782632182.db2.gz FMBMOPMLKGGAHU-WDMOLILDSA-N 1 1 314.386 -1.367 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111734792 782633371 /nfs/dbraw/zinc/63/33/71/782633371.db2.gz VKNUTEDWJWEITQ-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111734792 782633374 /nfs/dbraw/zinc/63/33/74/782633374.db2.gz VKNUTEDWJWEITQ-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)NC)C1 ZINC001111769875 782633403 /nfs/dbraw/zinc/63/34/03/782633403.db2.gz AQNWYLKLXXVVDZ-HZMBPMFUSA-N 1 1 311.386 -1.368 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001111835414 782633461 /nfs/dbraw/zinc/63/34/61/782633461.db2.gz FDGOOWHQSBWVEF-WDMOLILDSA-N 1 1 324.385 -1.198 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001112087638 782634410 /nfs/dbraw/zinc/63/44/10/782634410.db2.gz NEMADPGYVCBWOH-XLPZGREQSA-N 1 1 324.303 -1.025 20 0 DAADMO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155911 782634591 /nfs/dbraw/zinc/63/45/91/782634591.db2.gz QMVSYRYBFWUGBO-RRKCRQDMSA-N 1 1 310.276 -1.415 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001114987039 782637393 /nfs/dbraw/zinc/63/73/93/782637393.db2.gz SXFJNBCGYMTUHO-DCQANWLSSA-N 1 1 322.365 -1.646 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114987378 782637420 /nfs/dbraw/zinc/63/74/20/782637420.db2.gz YIDQKCGUPWODBK-IAZYJMLFSA-N 1 1 310.329 -1.057 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114987378 782637421 /nfs/dbraw/zinc/63/74/21/782637421.db2.gz YIDQKCGUPWODBK-IAZYJMLFSA-N 1 1 310.329 -1.057 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114978302 782637433 /nfs/dbraw/zinc/63/74/33/782637433.db2.gz SEWDUWICDNFYEF-SRRSOLGSSA-N 1 1 314.361 -1.228 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114978302 782637434 /nfs/dbraw/zinc/63/74/34/782637434.db2.gz SEWDUWICDNFYEF-SRRSOLGSSA-N 1 1 314.361 -1.228 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001114972039 782637437 /nfs/dbraw/zinc/63/74/37/782637437.db2.gz DOBQBTSWDSQXIC-PJXYFTJBSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001114972039 782637438 /nfs/dbraw/zinc/63/74/38/782637438.db2.gz DOBQBTSWDSQXIC-PJXYFTJBSA-N 1 1 320.393 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O ZINC001114982602 782637456 /nfs/dbraw/zinc/63/74/56/782637456.db2.gz RKDQBGLTBPQGEC-WUHRBBMRSA-N 1 1 313.398 -1.045 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114961012 782636157 /nfs/dbraw/zinc/63/61/57/782636157.db2.gz XYJSMEBVKQLGAA-UUIJZJDISA-N 1 1 311.382 -1.290 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980393 782637075 /nfs/dbraw/zinc/63/70/75/782637075.db2.gz QGUDTGPMVVCIAE-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980393 782637085 /nfs/dbraw/zinc/63/70/85/782637085.db2.gz QGUDTGPMVVCIAE-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046527 782640453 /nfs/dbraw/zinc/64/04/53/782640453.db2.gz NWOACGHCAOYTEG-DNJQJEMRSA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046527 782640459 /nfs/dbraw/zinc/64/04/59/782640459.db2.gz NWOACGHCAOYTEG-DNJQJEMRSA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115044007 782640619 /nfs/dbraw/zinc/64/06/19/782640619.db2.gz LOQWZPFSJZAGCJ-PUHVVEEASA-N 1 1 319.365 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115044007 782640623 /nfs/dbraw/zinc/64/06/23/782640623.db2.gz LOQWZPFSJZAGCJ-PUHVVEEASA-N 1 1 319.365 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115055766 782640716 /nfs/dbraw/zinc/64/07/16/782640716.db2.gz NFFRRTQTIOUMSF-MSRIBSCDSA-N 1 1 322.369 -1.876 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115055766 782640720 /nfs/dbraw/zinc/64/07/20/782640720.db2.gz NFFRRTQTIOUMSF-MSRIBSCDSA-N 1 1 322.369 -1.876 20 0 DAADMO CS(=O)(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCC1 ZINC001115051173 782640838 /nfs/dbraw/zinc/64/08/38/782640838.db2.gz ZMCRIHVUBMOKIS-URLYPYJESA-N 1 1 302.396 -1.008 20 0 DAADMO CS(=O)(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCC1 ZINC001115051173 782640843 /nfs/dbraw/zinc/64/08/43/782640843.db2.gz ZMCRIHVUBMOKIS-URLYPYJESA-N 1 1 302.396 -1.008 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001115095292 782641781 /nfs/dbraw/zinc/64/17/81/782641781.db2.gz GVHKHWURXBPCEV-UXCLJVHYSA-N 1 1 307.358 -1.756 20 0 DAADMO O=C(CNC(=O)c1cscn1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115083232 782641893 /nfs/dbraw/zinc/64/18/93/782641893.db2.gz GXUQWLMIHHLOPX-GDGBQDQQSA-N 1 1 310.379 -1.088 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001115102930 782642413 /nfs/dbraw/zinc/64/24/13/782642413.db2.gz BAEGFPPUBGYBGC-DCQANWLSSA-N 1 1 321.385 -1.366 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001115100666 782642512 /nfs/dbraw/zinc/64/25/12/782642512.db2.gz GFRILTXKBKDHIL-QRJZZWFUSA-N 1 1 323.353 -1.320 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001115100666 782642520 /nfs/dbraw/zinc/64/25/20/782642520.db2.gz GFRILTXKBKDHIL-QRJZZWFUSA-N 1 1 323.353 -1.320 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017672 782638143 /nfs/dbraw/zinc/63/81/43/782638143.db2.gz CSXBNHXOSKCZRP-IWIIMEHWSA-N 1 1 307.358 -1.802 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114994601 782638259 /nfs/dbraw/zinc/63/82/59/782638259.db2.gz PCIWHRKOIDEHJD-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114994601 782638261 /nfs/dbraw/zinc/63/82/61/782638261.db2.gz PCIWHRKOIDEHJD-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2cnnn2)C1=O ZINC001115017841 782638380 /nfs/dbraw/zinc/63/83/80/782638380.db2.gz GZFKHCLASQGCEE-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001115015450 782638691 /nfs/dbraw/zinc/63/86/91/782638691.db2.gz FHWPVWMANBDWEK-OCYKMNHNSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001115015450 782638693 /nfs/dbraw/zinc/63/86/93/782638693.db2.gz FHWPVWMANBDWEK-OCYKMNHNSA-N 1 1 310.354 -1.346 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC001115116230 782642877 /nfs/dbraw/zinc/64/28/77/782642877.db2.gz KOMXSYAXZCTPKF-YABSGUDNSA-N 1 1 324.381 -1.037 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115105520 782642884 /nfs/dbraw/zinc/64/28/84/782642884.db2.gz GLBIYMPFIDQWSO-WHOHXGKFSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1)N1CCC1 ZINC001115033414 782639545 /nfs/dbraw/zinc/63/95/45/782639545.db2.gz KPWSGQXPXXTYJG-IMRBUKKESA-N 1 1 320.393 -1.209 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001115176061 782644631 /nfs/dbraw/zinc/64/46/31/782644631.db2.gz ICLCMDPXPMZETN-KLBPJQLPSA-N 1 1 311.386 -1.384 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001115176061 782644635 /nfs/dbraw/zinc/64/46/35/782644635.db2.gz ICLCMDPXPMZETN-KLBPJQLPSA-N 1 1 311.386 -1.384 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203019 782644659 /nfs/dbraw/zinc/64/46/59/782644659.db2.gz IRGMNGIWPROGJX-MSRIBSCDSA-N 1 1 320.349 -1.198 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203019 782644665 /nfs/dbraw/zinc/64/46/65/782644665.db2.gz IRGMNGIWPROGJX-MSRIBSCDSA-N 1 1 320.349 -1.198 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115187722 782644747 /nfs/dbraw/zinc/64/47/47/782644747.db2.gz DOTHYRKRJBLEKF-IAZYJMLFSA-N 1 1 305.400 -1.429 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203270 782644751 /nfs/dbraw/zinc/64/47/51/782644751.db2.gz MZECGBHYNHUEJM-DNJQJEMRSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203270 782644754 /nfs/dbraw/zinc/64/47/54/782644754.db2.gz MZECGBHYNHUEJM-DNJQJEMRSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188654 782644806 /nfs/dbraw/zinc/64/48/06/782644806.db2.gz NZFXJQRNJZKQJJ-REIXXSIJSA-N 1 1 318.399 -2.202 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188654 782644809 /nfs/dbraw/zinc/64/48/09/782644809.db2.gz NZFXJQRNJZKQJJ-REIXXSIJSA-N 1 1 318.399 -2.202 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188293 782644891 /nfs/dbraw/zinc/64/48/91/782644891.db2.gz KCLREZYVRKHGKB-DCQANWLSSA-N 1 1 319.427 -1.041 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115184813 782644956 /nfs/dbraw/zinc/64/49/56/782644956.db2.gz SBWDRBCDZGEXRR-VROVMSAKSA-N 1 1 320.353 -1.173 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115184813 782644957 /nfs/dbraw/zinc/64/49/57/782644957.db2.gz SBWDRBCDZGEXRR-VROVMSAKSA-N 1 1 320.353 -1.173 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115217040 782645806 /nfs/dbraw/zinc/64/58/06/782645806.db2.gz NETFOZUDIUUEKV-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001115214447 782645956 /nfs/dbraw/zinc/64/59/56/782645956.db2.gz IHHOGSZLKQGVBW-PJXYFTJBSA-N 1 1 306.370 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115214799 782645991 /nfs/dbraw/zinc/64/59/91/782645991.db2.gz QCQDCDBYPBHUFT-GDGBQDQQSA-N 1 1 321.341 -2.220 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115214799 782645994 /nfs/dbraw/zinc/64/59/94/782645994.db2.gz QCQDCDBYPBHUFT-GDGBQDQQSA-N 1 1 321.341 -2.220 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115217589 782646769 /nfs/dbraw/zinc/64/67/69/782646769.db2.gz YBPUJUJUKWBPJU-SREGZZRCSA-N 1 1 323.353 -2.233 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115217589 782646774 /nfs/dbraw/zinc/64/67/74/782646774.db2.gz YBPUJUJUKWBPJU-SREGZZRCSA-N 1 1 323.353 -2.233 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115217631 782646856 /nfs/dbraw/zinc/64/68/56/782646856.db2.gz YVOHFRHERWBROH-IAZYJMLFSA-N 1 1 307.358 -1.580 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115217631 782646858 /nfs/dbraw/zinc/64/68/58/782646858.db2.gz YVOHFRHERWBROH-IAZYJMLFSA-N 1 1 307.358 -1.580 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CCC1 ZINC001115156593 782643586 /nfs/dbraw/zinc/64/35/86/782643586.db2.gz QOFJMMHZBYDUTQ-ZNSHCXBVSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CCC1 ZINC001115156593 782643593 /nfs/dbraw/zinc/64/35/93/782643593.db2.gz QOFJMMHZBYDUTQ-ZNSHCXBVSA-N 1 1 308.382 -1.177 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141577 782643673 /nfs/dbraw/zinc/64/36/73/782643673.db2.gz BRTVVVQGMNXVGY-MCHASIABSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141577 782643676 /nfs/dbraw/zinc/64/36/76/782643676.db2.gz BRTVVVQGMNXVGY-MCHASIABSA-N 1 1 309.326 -2.494 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115142094 782643794 /nfs/dbraw/zinc/64/37/94/782643794.db2.gz NUNYZDCORAOUCR-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)no1 ZINC001115233785 782647858 /nfs/dbraw/zinc/64/78/58/782647858.db2.gz NWCMUMZKYYTTHJ-WYOJIJJFSA-N 1 1 321.337 -1.158 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115291205 782650005 /nfs/dbraw/zinc/65/00/05/782650005.db2.gz ADTYNILEVCKMCC-ZRUFSTJUSA-N 1 1 323.397 -1.371 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115281837 782650080 /nfs/dbraw/zinc/65/00/80/782650080.db2.gz CBZDAPBXHMZEOU-YABSGUDNSA-N 1 1 304.350 -1.150 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001115306333 782651226 /nfs/dbraw/zinc/65/12/26/782651226.db2.gz MSPWMBPDZSATOR-DCQANWLSSA-N 1 1 324.381 -1.609 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115299860 782651235 /nfs/dbraw/zinc/65/12/35/782651235.db2.gz HCNOVCAECCJDSU-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115299860 782651236 /nfs/dbraw/zinc/65/12/36/782651236.db2.gz HCNOVCAECCJDSU-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO COCCOCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115337206 782651981 /nfs/dbraw/zinc/65/19/81/782651981.db2.gz RWFHKNGGLVSURJ-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358912 782653367 /nfs/dbraw/zinc/65/33/67/782653367.db2.gz NXUXISUWMYPCSD-MVVXRAEJSA-N 1 1 306.370 -1.332 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358912 782653371 /nfs/dbraw/zinc/65/33/71/782653371.db2.gz NXUXISUWMYPCSD-MVVXRAEJSA-N 1 1 306.370 -1.332 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341490 782652394 /nfs/dbraw/zinc/65/23/94/782652394.db2.gz DVHVZWSFTDQSLR-GDGBQDQQSA-N 1 1 306.326 -1.876 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341490 782652397 /nfs/dbraw/zinc/65/23/97/782652397.db2.gz DVHVZWSFTDQSLR-GDGBQDQQSA-N 1 1 306.326 -1.876 20 0 DAADMO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115357116 782652652 /nfs/dbraw/zinc/65/26/52/782652652.db2.gz WRCBCBBGVPMGIF-MVVXRAEJSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115357116 782652660 /nfs/dbraw/zinc/65/26/60/782652660.db2.gz WRCBCBBGVPMGIF-MVVXRAEJSA-N 1 1 308.382 -1.177 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115357083 782652674 /nfs/dbraw/zinc/65/26/74/782652674.db2.gz WEQDEWOCHLPFEX-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115357083 782652679 /nfs/dbraw/zinc/65/26/79/782652679.db2.gz WEQDEWOCHLPFEX-WYOJIJJFSA-N 1 1 320.353 -1.038 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115256356 782648543 /nfs/dbraw/zinc/64/85/43/782648543.db2.gz QGLFZCJDVGOZSQ-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001115253523 782648698 /nfs/dbraw/zinc/64/86/98/782648698.db2.gz CXDSSPGSULUTBT-MEWQQHAOSA-N 1 1 317.411 -1.382 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001115249593 782648726 /nfs/dbraw/zinc/64/87/26/782648726.db2.gz HPPOZAASFUMCJD-DCQANWLSSA-N 1 1 319.427 -1.257 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115359386 782653141 /nfs/dbraw/zinc/65/31/41/782653141.db2.gz WXRYAMSSYRLPBM-RMRHIDDWSA-N 1 1 323.397 -1.199 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115253659 782648845 /nfs/dbraw/zinc/64/88/45/782648845.db2.gz FYABVYHASJBPQO-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115253659 782648846 /nfs/dbraw/zinc/64/88/46/782648846.db2.gz FYABVYHASJBPQO-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115249777 782649046 /nfs/dbraw/zinc/64/90/46/782649046.db2.gz MJKBKPZKHVYRFC-QHOPCYEYSA-N 1 1 304.372 -2.544 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115249777 782649050 /nfs/dbraw/zinc/64/90/50/782649050.db2.gz MJKBKPZKHVYRFC-QHOPCYEYSA-N 1 1 304.372 -2.544 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)C1 ZINC001116177814 782658153 /nfs/dbraw/zinc/65/81/53/782658153.db2.gz DPPSUDKWTUBCHO-PKFCDNJMSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)C1 ZINC001116177814 782658157 /nfs/dbraw/zinc/65/81/57/782658157.db2.gz DPPSUDKWTUBCHO-PKFCDNJMSA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001116159786 782658815 /nfs/dbraw/zinc/65/88/15/782658815.db2.gz BFUNKLFRKOBMQL-SNVBAGLBSA-N 1 1 322.369 -1.093 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115356269 782653426 /nfs/dbraw/zinc/65/34/26/782653426.db2.gz GVAQVVQYWNJQDJ-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115356269 782653429 /nfs/dbraw/zinc/65/34/29/782653429.db2.gz GVAQVVQYWNJQDJ-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)S(C)(=O)=O ZINC001116333662 782659413 /nfs/dbraw/zinc/65/94/13/782659413.db2.gz QXDDOYMDSQRRCJ-AOOOYVTPSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)S(C)(=O)=O ZINC001116333662 782659417 /nfs/dbraw/zinc/65/94/17/782659417.db2.gz QXDDOYMDSQRRCJ-AOOOYVTPSA-N 1 1 309.388 -2.579 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC001115979345 782655539 /nfs/dbraw/zinc/65/55/39/782655539.db2.gz KULFZQPHHDCZFT-UHFFFAOYSA-N 1 1 300.359 -1.923 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001116431632 782661226 /nfs/dbraw/zinc/66/12/26/782661226.db2.gz JQDIXESEUCOCEM-LBPRGKRZSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001116431632 782661232 /nfs/dbraw/zinc/66/12/32/782661232.db2.gz JQDIXESEUCOCEM-LBPRGKRZSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001117008738 782672247 /nfs/dbraw/zinc/67/22/47/782672247.db2.gz MEVQTFAGPXYOMC-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOC)CC1 ZINC001117047414 782672285 /nfs/dbraw/zinc/67/22/85/782672285.db2.gz HFVKXBKBCUFRAE-UHFFFAOYSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC001117180823 782678754 /nfs/dbraw/zinc/67/87/54/782678754.db2.gz WQZSXRKTZDEGHV-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001117046485 782672706 /nfs/dbraw/zinc/67/27/06/782672706.db2.gz VQCQYCJVLHHLFZ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CO)CN1CC[NH+](C)CC1 ZINC001117059906 782673969 /nfs/dbraw/zinc/67/39/69/782673969.db2.gz NTMSLZUXNLDNGU-STQMWFEESA-N 1 1 314.430 -1.175 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCN1C(=O)CNC1=O)C1CC1 ZINC001117099706 782674564 /nfs/dbraw/zinc/67/45/64/782674564.db2.gz DGOUBNHWAGCBEQ-UHFFFAOYSA-N 1 1 311.342 -2.135 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001117095617 782674681 /nfs/dbraw/zinc/67/46/81/782674681.db2.gz AUYDMMKUBPYQNK-QWRGUYRKSA-N 1 1 312.370 -1.654 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC001117146516 782677532 /nfs/dbraw/zinc/67/75/32/782677532.db2.gz FWPYMVYJKDJUJU-SNVBAGLBSA-N 1 1 307.354 -1.003 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001117177082 782679082 /nfs/dbraw/zinc/67/90/82/782679082.db2.gz AMCOPXCBQKJHEB-VPWBDBDCSA-N 1 1 323.393 -1.193 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001117268948 782679712 /nfs/dbraw/zinc/67/97/12/782679712.db2.gz DOLMRIGWQAVBKD-NWDGAFQWSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001117268950 782679914 /nfs/dbraw/zinc/67/99/14/782679914.db2.gz DOLMRIGWQAVBKD-RYUDHWBXSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001117268951 782680282 /nfs/dbraw/zinc/68/02/82/782680282.db2.gz DOLMRIGWQAVBKD-VXGBXAGGSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCn1cncn1)C[NH+]1CCOCC1 ZINC001117266058 782680451 /nfs/dbraw/zinc/68/04/51/782680451.db2.gz FOZKHAULINCDNN-GFCCVEGCSA-N 1 1 324.385 -1.521 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001117291090 782681587 /nfs/dbraw/zinc/68/15/87/782681587.db2.gz VMIATTJZACAEIM-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCNC1=O ZINC001117306121 782682639 /nfs/dbraw/zinc/68/26/39/782682639.db2.gz IQEHIHKZJQORTO-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC001117314673 782682891 /nfs/dbraw/zinc/68/28/91/782682891.db2.gz HYUJEMDLGKUGJG-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001117345357 782686556 /nfs/dbraw/zinc/68/65/56/782686556.db2.gz KIIBFLRFHBHGMP-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117345357 782686560 /nfs/dbraw/zinc/68/65/60/782686560.db2.gz KIIBFLRFHBHGMP-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC001117360280 782687442 /nfs/dbraw/zinc/68/74/42/782687442.db2.gz VQJVBHRTCCQCJK-FZMZJTMJSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1 ZINC001117359807 782687602 /nfs/dbraw/zinc/68/76/02/782687602.db2.gz OPXLLPKBQGFTPM-GXTWGEPZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC[N@H+]1C ZINC001117359440 782687769 /nfs/dbraw/zinc/68/77/69/782687769.db2.gz KSMQXGCQXNOFOH-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC001117360279 782688027 /nfs/dbraw/zinc/68/80/27/782688027.db2.gz VQJVBHRTCCQCJK-BXUZGUMPSA-N 1 1 316.377 -1.719 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nnn(C)n2)C[N@H+]1C1CC1 ZINC001117429528 782690180 /nfs/dbraw/zinc/69/01/80/782690180.db2.gz DVZIUURAFKNSMH-RKDXNWHRSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nnn(C)n2)C[N@H+]1C1CC1 ZINC001117429526 782690726 /nfs/dbraw/zinc/69/07/26/782690726.db2.gz DVZIUURAFKNSMH-DTWKUNHWSA-N 1 1 307.358 -1.432 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001117605650 782696402 /nfs/dbraw/zinc/69/64/02/782696402.db2.gz IUUXLGKOIZDMPQ-DCAQKATOSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCNC1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001117594907 782696482 /nfs/dbraw/zinc/69/64/82/782696482.db2.gz PATHSRZJOHSYAP-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCNC1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001117594907 782696486 /nfs/dbraw/zinc/69/64/86/782696486.db2.gz PATHSRZJOHSYAP-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO NS(=O)(=O)CCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001117806114 782700447 /nfs/dbraw/zinc/70/04/47/782700447.db2.gz VFUIXRZAOXSYPF-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001118172796 782705316 /nfs/dbraw/zinc/70/53/16/782705316.db2.gz KPDDZBNSMZKCCT-GXSJLCMTSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001118181350 782707117 /nfs/dbraw/zinc/70/71/17/782707117.db2.gz XNPCJOYVCVSLQE-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CSC[NH2+]1 ZINC001118203715 782708602 /nfs/dbraw/zinc/70/86/02/782708602.db2.gz OLDVWLNAAVIKLP-VIFPVBQESA-N 1 1 320.396 -1.127 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118340027 782714985 /nfs/dbraw/zinc/71/49/85/782714985.db2.gz DEFQIZGRNXRECT-FLCAKIMKSA-N 1 1 317.411 -1.851 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118340027 782714991 /nfs/dbraw/zinc/71/49/91/782714991.db2.gz DEFQIZGRNXRECT-FLCAKIMKSA-N 1 1 317.411 -1.851 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001118327146 782715843 /nfs/dbraw/zinc/71/58/43/782715843.db2.gz YWNBICBVYHSLLZ-MRVPVSSYSA-N 1 1 320.296 -1.204 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](O)C1 ZINC001118350445 782716464 /nfs/dbraw/zinc/71/64/64/782716464.db2.gz QTEMZBQCZPDFTA-XQQFMLRXSA-N 1 1 311.382 -1.051 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118395161 782717536 /nfs/dbraw/zinc/71/75/36/782717536.db2.gz KPBUUMTVMCEQSN-NWDGAFQWSA-N 1 1 312.370 -2.142 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118390041 782717852 /nfs/dbraw/zinc/71/78/52/782717852.db2.gz NZLAEHAYKRLSOH-WDEREUQCSA-N 1 1 312.370 -2.142 20 0 DAADMO CCN(C(=O)C(=O)Nc1cnn(CC(N)=O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001118429032 782719146 /nfs/dbraw/zinc/71/91/46/782719146.db2.gz KVGPHYMRKPMJMN-LLVKDONJSA-N 1 1 322.369 -1.141 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406901 782719323 /nfs/dbraw/zinc/71/93/23/782719323.db2.gz WVQITAHCJYASGG-NWDODZNUSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406901 782719327 /nfs/dbraw/zinc/71/93/27/782719327.db2.gz WVQITAHCJYASGG-NWDODZNUSA-N 1 1 317.411 -1.853 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC001118528162 782723702 /nfs/dbraw/zinc/72/37/02/782723702.db2.gz YFZPZCBJOAFDIT-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC001118528156 782724641 /nfs/dbraw/zinc/72/46/41/782724641.db2.gz YFZPZCBJOAFDIT-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCNCC1 ZINC001118553783 782725139 /nfs/dbraw/zinc/72/51/39/782725139.db2.gz XHXKZCJEZDWOAV-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149081784 782727816 /nfs/dbraw/zinc/72/78/16/782727816.db2.gz FJUWFYLZXLLSFX-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001118609518 782727834 /nfs/dbraw/zinc/72/78/34/782727834.db2.gz CTWZESCXIBTOLD-YPMHNXCESA-N 1 1 311.382 -1.051 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC001118616003 782727885 /nfs/dbraw/zinc/72/78/85/782727885.db2.gz FWBJDICLEILWRB-IOASZLSFSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001118609511 782727971 /nfs/dbraw/zinc/72/79/71/782727971.db2.gz CTWZESCXIBTOLD-DGCLKSJQSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@H]1CCOC1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001118609514 782728051 /nfs/dbraw/zinc/72/80/51/782728051.db2.gz CTWZESCXIBTOLD-WCQYABFASA-N 1 1 311.382 -1.051 20 0 DAADMO CNS(=O)(=O)CCN1CC[NH+](CCOCCOC)CC1 ZINC001118746107 782733103 /nfs/dbraw/zinc/73/31/03/782733103.db2.gz ADSVAPYFGUDRKP-UHFFFAOYSA-N 1 1 309.432 -1.184 20 0 DAADMO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)n1 ZINC001118861717 782736256 /nfs/dbraw/zinc/73/62/56/782736256.db2.gz AQVOTOIQBOFRAQ-LLVKDONJSA-N 1 1 324.385 -1.512 20 0 DAADMO CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118924847 782740821 /nfs/dbraw/zinc/74/08/21/782740821.db2.gz MCDDUMYLLUVMLT-VIFPVBQESA-N 1 1 307.372 -2.358 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084647 782749540 /nfs/dbraw/zinc/74/95/40/782749540.db2.gz YSFLEPKBLPJSTQ-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084647 782749544 /nfs/dbraw/zinc/74/95/44/782749544.db2.gz YSFLEPKBLPJSTQ-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC001119325166 782751175 /nfs/dbraw/zinc/75/11/75/782751175.db2.gz HAHIHXIKWCYHCP-LBPRGKRZSA-N 1 1 317.411 -1.241 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC001119325166 782751181 /nfs/dbraw/zinc/75/11/81/782751181.db2.gz HAHIHXIKWCYHCP-LBPRGKRZSA-N 1 1 317.411 -1.241 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC001119325165 782751636 /nfs/dbraw/zinc/75/16/36/782751636.db2.gz HAHIHXIKWCYHCP-GFCCVEGCSA-N 1 1 317.411 -1.241 20 0 DAADMO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC001119325165 782751638 /nfs/dbraw/zinc/75/16/38/782751638.db2.gz HAHIHXIKWCYHCP-GFCCVEGCSA-N 1 1 317.411 -1.241 20 0 DAADMO C[C@H](CNC(=O)C(=O)Nc1cn(C)nn1)C[NH+]1CCOCC1 ZINC001119379642 782752654 /nfs/dbraw/zinc/75/26/54/782752654.db2.gz HTKURAFFYPIAKB-SNVBAGLBSA-N 1 1 310.358 -1.162 20 0 DAADMO Cc1ncn(C)c1C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266264629 775118956 /nfs/dbraw/zinc/11/89/56/775118956.db2.gz BHELIFVYCUKPFA-UHFFFAOYSA-N 1 1 322.413 -1.049 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)CCn2cncn2)CC1 ZINC001266257748 775118969 /nfs/dbraw/zinc/11/89/69/775118969.db2.gz QMFPWKHGOQUEMB-UHFFFAOYSA-N 1 1 323.401 -1.723 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001266248358 775119843 /nfs/dbraw/zinc/11/98/43/775119843.db2.gz KQBLJZKLVXNUHY-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001282366063 775120129 /nfs/dbraw/zinc/12/01/29/775120129.db2.gz HNPDVRBDNPLAIA-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001282366063 775120133 /nfs/dbraw/zinc/12/01/33/775120133.db2.gz HNPDVRBDNPLAIA-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)c2cnn(C)n2)CC1 ZINC001266274014 775121409 /nfs/dbraw/zinc/12/14/09/775121409.db2.gz WRPMHEJHVSCFMO-NSHDSACASA-N 1 1 323.401 -1.574 20 0 DAADMO C[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)Cn2ccnc2)CC1 ZINC001266279237 775121502 /nfs/dbraw/zinc/12/15/02/775121502.db2.gz JGONXILMBQUVPO-ZDUSSCGKSA-N 1 1 322.413 -1.119 20 0 DAADMO C[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)Cc2c[nH]cn2)CC1 ZINC001266272855 775121623 /nfs/dbraw/zinc/12/16/23/775121623.db2.gz ALQUERZLSVUGGN-GFCCVEGCSA-N 1 1 322.413 -1.050 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2ccn(C)n2)CC1 ZINC001266277665 775121913 /nfs/dbraw/zinc/12/19/13/775121913.db2.gz LLMAQGMYJDDWQH-UHFFFAOYSA-N 1 1 322.413 -1.096 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)Cc2cnoc2)CC1 ZINC001266271224 775122010 /nfs/dbraw/zinc/12/20/10/775122010.db2.gz JJALGJGJYGIQHC-UHFFFAOYSA-N 1 1 309.370 -1.174 20 0 DAADMO C[C@@H](C(N)=O)N1CC[NH+](CCCNC(=O)Cc2c[nH]cn2)CC1 ZINC001266272860 775122098 /nfs/dbraw/zinc/12/20/98/775122098.db2.gz ALQUERZLSVUGGN-LBPRGKRZSA-N 1 1 322.413 -1.050 20 0 DAADMO C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)CCN1C(=O)CNC1=O ZINC001266284709 775122913 /nfs/dbraw/zinc/12/29/13/775122913.db2.gz IJQLREIWGHJELX-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001266288617 775123543 /nfs/dbraw/zinc/12/35/43/775123543.db2.gz KIDMUEKKKQVBAU-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001266288617 775123548 /nfs/dbraw/zinc/12/35/48/775123548.db2.gz KIDMUEKKKQVBAU-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001211497988 775123725 /nfs/dbraw/zinc/12/37/25/775123725.db2.gz WQRFDGIQDYVVAA-GMTAPVOTSA-N 1 1 324.381 -1.388 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001211497988 775123726 /nfs/dbraw/zinc/12/37/26/775123726.db2.gz WQRFDGIQDYVVAA-GMTAPVOTSA-N 1 1 324.381 -1.388 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266310947 775128055 /nfs/dbraw/zinc/12/80/55/775128055.db2.gz OKVWKXXUWFGUGF-NXEZZACHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266310947 775128060 /nfs/dbraw/zinc/12/80/60/775128060.db2.gz OKVWKXXUWFGUGF-NXEZZACHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266310949 775128147 /nfs/dbraw/zinc/12/81/47/775128147.db2.gz OKVWKXXUWFGUGF-VHSXEESVSA-N 1 1 310.354 -1.492 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266310949 775128152 /nfs/dbraw/zinc/12/81/52/775128152.db2.gz OKVWKXXUWFGUGF-VHSXEESVSA-N 1 1 310.354 -1.492 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(N)=O ZINC001266315959 775128347 /nfs/dbraw/zinc/12/83/47/775128347.db2.gz LRVNDNAQWRWVRL-MRVPVSSYSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(N)=O ZINC001266315959 775128352 /nfs/dbraw/zinc/12/83/52/775128352.db2.gz LRVNDNAQWRWVRL-MRVPVSSYSA-N 1 1 301.347 -1.858 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001266310934 775128412 /nfs/dbraw/zinc/12/84/12/775128412.db2.gz OFRNSSXNKOHJOX-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266315384 775128444 /nfs/dbraw/zinc/12/84/44/775128444.db2.gz VDRPJCQPKUUKRB-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266315384 775128451 /nfs/dbraw/zinc/12/84/51/775128451.db2.gz VDRPJCQPKUUKRB-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CCN1C(=O)CCC1=O ZINC001266323754 775131302 /nfs/dbraw/zinc/13/13/02/775131302.db2.gz MGKYYIUVUUVQQB-HNNXBMFYSA-N 1 1 324.381 -1.148 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266332980 775131407 /nfs/dbraw/zinc/13/14/07/775131407.db2.gz DSMXUUCRFOHXRS-JTQLQIEISA-N 1 1 308.404 -1.733 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)Cc1c[nH]cn1 ZINC001266329614 775131815 /nfs/dbraw/zinc/13/18/15/775131815.db2.gz BFSFYRAKBHOCTM-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccncn1)CCN1C(=O)CNC1=O ZINC001266340347 775133090 /nfs/dbraw/zinc/13/30/90/775133090.db2.gz TWSMAEVUGXQHQJ-UHFFFAOYSA-N 1 1 306.326 -1.310 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346801 775133343 /nfs/dbraw/zinc/13/33/43/775133343.db2.gz HHHYKTPZBGYTBX-VHSXEESVSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346801 775133351 /nfs/dbraw/zinc/13/33/51/775133351.db2.gz HHHYKTPZBGYTBX-VHSXEESVSA-N 1 1 322.365 -1.492 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)O1 ZINC001266341608 775133454 /nfs/dbraw/zinc/13/34/54/775133454.db2.gz KVFIYUDBTHZESZ-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001266359126 775134691 /nfs/dbraw/zinc/13/46/91/775134691.db2.gz OFAABHBGRUAJBN-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001266359125 775134852 /nfs/dbraw/zinc/13/48/52/775134852.db2.gz OFAABHBGRUAJBN-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CN1CCC[C@H]([N@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001266357974 775135577 /nfs/dbraw/zinc/13/55/77/775135577.db2.gz JHUVYSVVPLMVIL-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001266357974 775135584 /nfs/dbraw/zinc/13/55/84/775135584.db2.gz JHUVYSVVPLMVIL-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001266359334 775135751 /nfs/dbraw/zinc/13/57/51/775135751.db2.gz SZADMGPTGPFRPF-NSHDSACASA-N 1 1 313.354 -1.665 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)CCN1C(=O)CCC1=O ZINC001266357058 775136099 /nfs/dbraw/zinc/13/60/99/775136099.db2.gz LSKNWZXNZXSCLH-UHFFFAOYSA-N 1 1 308.342 -1.525 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@H]1CCCNC1=O ZINC001266357000 775136102 /nfs/dbraw/zinc/13/61/02/775136102.db2.gz JQLXWGDFNKWCLE-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@H]1CCCNC1=O ZINC001266357000 775136103 /nfs/dbraw/zinc/13/61/03/775136103.db2.gz JQLXWGDFNKWCLE-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCN1C(=O)CCC1=O ZINC001266379940 775136264 /nfs/dbraw/zinc/13/62/64/775136264.db2.gz FCGOWXGKULOEFK-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)NCC(F)F)[C@H]1CCNC1=O ZINC001266399072 775137309 /nfs/dbraw/zinc/13/73/09/775137309.db2.gz JLMMIZYUJBFHCE-QMMMGPOBSA-N 1 1 306.313 -1.306 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCC(F)F)[C@H]1CCNC1=O ZINC001266399072 775137313 /nfs/dbraw/zinc/13/73/13/775137313.db2.gz JLMMIZYUJBFHCE-QMMMGPOBSA-N 1 1 306.313 -1.306 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)CC(=O)NC ZINC001266394510 775138854 /nfs/dbraw/zinc/13/88/54/775138854.db2.gz SCCHMRGVTGQTKD-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)CC(=O)NC ZINC001266394510 775138862 /nfs/dbraw/zinc/13/88/62/775138862.db2.gz SCCHMRGVTGQTKD-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)C[C@@H](O)CN1C(=O)CCC1=O ZINC001266412867 775140599 /nfs/dbraw/zinc/14/05/99/775140599.db2.gz CFNLMRNXLADIPN-SECBINFHSA-N 1 1 314.342 -2.580 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)[C@@H]1CCCNC1=O ZINC001266442164 775142944 /nfs/dbraw/zinc/14/29/44/775142944.db2.gz AGNCEDLLSYDHKP-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)CN(C)C1=O)C[C@@H](C)O ZINC001266434784 775143091 /nfs/dbraw/zinc/14/30/91/775143091.db2.gz NYJDQYDBPGRVEG-SNVBAGLBSA-N 1 1 300.359 -1.301 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)[C@@H]1CCCNC1=O ZINC001266442167 775143195 /nfs/dbraw/zinc/14/31/95/775143195.db2.gz AGNCEDLLSYDHKP-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266480839 775144277 /nfs/dbraw/zinc/14/42/77/775144277.db2.gz ZAAJDDXOWHRVCN-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCOCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001266508110 775146061 /nfs/dbraw/zinc/14/60/61/775146061.db2.gz GDWARNLSUWVVEV-QWHCGFSZSA-N 1 1 313.398 -1.040 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001266505198 775146892 /nfs/dbraw/zinc/14/68/92/775146892.db2.gz FLERBYPUAOSLOL-VIFPVBQESA-N 1 1 311.342 -2.148 20 0 DAADMO COCCC[N@H+]1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001266524912 775149531 /nfs/dbraw/zinc/14/95/31/775149531.db2.gz AICAKJAJPDOBPF-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528458 775149966 /nfs/dbraw/zinc/14/99/66/775149966.db2.gz QFSZXGFLAMVPBL-VHSXEESVSA-N 1 1 320.353 -1.273 20 0 DAADMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528458 775149972 /nfs/dbraw/zinc/14/99/72/775149972.db2.gz QFSZXGFLAMVPBL-VHSXEESVSA-N 1 1 320.353 -1.273 20 0 DAADMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528457 775150058 /nfs/dbraw/zinc/15/00/58/775150058.db2.gz QFSZXGFLAMVPBL-UWVGGRQHSA-N 1 1 320.353 -1.273 20 0 DAADMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528457 775150060 /nfs/dbraw/zinc/15/00/60/775150060.db2.gz QFSZXGFLAMVPBL-UWVGGRQHSA-N 1 1 320.353 -1.273 20 0 DAADMO CN(CCOCC[NH2+]Cc1nnnn1C)C(=O)c1cn[nH]n1 ZINC001279422910 775150070 /nfs/dbraw/zinc/15/00/70/775150070.db2.gz OUXXATIPUWPGNL-UHFFFAOYSA-N 1 1 309.334 -1.793 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266528257 775150078 /nfs/dbraw/zinc/15/00/78/775150078.db2.gz MOTYPVQEBUCYNV-NSHDSACASA-N 1 1 317.411 -1.265 20 0 DAADMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528459 775150147 /nfs/dbraw/zinc/15/01/47/775150147.db2.gz QFSZXGFLAMVPBL-ZJUUUORDSA-N 1 1 320.353 -1.273 20 0 DAADMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528459 775150151 /nfs/dbraw/zinc/15/01/51/775150151.db2.gz QFSZXGFLAMVPBL-ZJUUUORDSA-N 1 1 320.353 -1.273 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001266528031 775150209 /nfs/dbraw/zinc/15/02/09/775150209.db2.gz IFRWNJJFDHXKEX-MNOVXSKESA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001266528285 775150269 /nfs/dbraw/zinc/15/02/69/775150269.db2.gz NBNAXVKNJWDMSL-MNOVXSKESA-N 1 1 317.411 -1.265 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001266528287 775150333 /nfs/dbraw/zinc/15/03/33/775150333.db2.gz NBNAXVKNJWDMSL-WDEREUQCSA-N 1 1 317.411 -1.265 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)[nH]1 ZINC001279436433 775155260 /nfs/dbraw/zinc/15/52/60/775155260.db2.gz GSRUVWVSEVNIAL-UHFFFAOYSA-N 1 1 312.374 -1.022 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125408555 775155491 /nfs/dbraw/zinc/15/54/91/775155491.db2.gz BEGBJLLXXDUCJE-NSHDSACASA-N 1 1 315.374 -1.533 20 0 DAADMO COCCCNC(=O)C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125420185 775157202 /nfs/dbraw/zinc/15/72/02/775157202.db2.gz ZMPNJSAZANXXGY-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC001167377201 775159285 /nfs/dbraw/zinc/15/92/85/775159285.db2.gz OZQVVQXOIABBJH-BDAKNGLRSA-N 1 1 304.372 -1.450 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC001167377201 775159290 /nfs/dbraw/zinc/15/92/90/775159290.db2.gz OZQVVQXOIABBJH-BDAKNGLRSA-N 1 1 304.372 -1.450 20 0 DAADMO O=C(NCCC[NH2+]Cc1csnn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388108 775160954 /nfs/dbraw/zinc/16/09/54/775160954.db2.gz FSMJYJSEQAPUIF-QMMMGPOBSA-N 1 1 312.355 -1.268 20 0 DAADMO NC(=O)C(=O)NCC[N@@H+](C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001266609490 775162572 /nfs/dbraw/zinc/16/25/72/775162572.db2.gz OQDWSNPXPKAMDB-NSHDSACASA-N 1 1 312.370 -1.964 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149257024 775169767 /nfs/dbraw/zinc/16/97/67/775169767.db2.gz WEJZHRZOQWPALX-WDEREUQCSA-N 1 1 303.359 -1.070 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](COC)OC)C1 ZINC001283047643 775171346 /nfs/dbraw/zinc/17/13/46/775171346.db2.gz LSSDOEMLYFCGKP-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](COC)OC)C1 ZINC001283047643 775171355 /nfs/dbraw/zinc/17/13/55/775171355.db2.gz LSSDOEMLYFCGKP-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001266719296 775174292 /nfs/dbraw/zinc/17/42/92/775174292.db2.gz XHXMXRBIUUOUDF-DTORHVGOSA-N 1 1 307.358 -1.527 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)C(N)=O ZINC001213350077 775176002 /nfs/dbraw/zinc/17/60/02/775176002.db2.gz GANVASJTDUJFOH-GHMZBOCLSA-N 1 1 316.358 -2.560 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)C(N)=O ZINC001213350077 775176007 /nfs/dbraw/zinc/17/60/07/775176007.db2.gz GANVASJTDUJFOH-GHMZBOCLSA-N 1 1 316.358 -2.560 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266755250 775176067 /nfs/dbraw/zinc/17/60/67/775176067.db2.gz NVGKZCNSVSPYIH-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266755250 775176071 /nfs/dbraw/zinc/17/60/71/775176071.db2.gz NVGKZCNSVSPYIH-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767956 775176866 /nfs/dbraw/zinc/17/68/66/775176866.db2.gz VEGQYXBYPRGUPU-SECBINFHSA-N 1 1 311.342 -2.148 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767956 775176873 /nfs/dbraw/zinc/17/68/73/775176873.db2.gz VEGQYXBYPRGUPU-SECBINFHSA-N 1 1 311.342 -2.148 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767513 775176937 /nfs/dbraw/zinc/17/69/37/775176937.db2.gz OVTJBOVOFRYZQJ-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001266767706 775177624 /nfs/dbraw/zinc/17/76/24/775177624.db2.gz QGXRCJPOINQKHV-GHMZBOCLSA-N 1 1 312.370 -1.205 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556070 775183966 /nfs/dbraw/zinc/18/39/66/775183966.db2.gz DVUPBYJUUDPPHK-UHFFFAOYSA-N 1 1 316.402 -1.024 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]n1 ZINC001125546943 775184436 /nfs/dbraw/zinc/18/44/36/775184436.db2.gz OTWMNGKUCOVSIX-UHFFFAOYSA-N 1 1 322.369 -2.075 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)[nH]n1 ZINC001125547186 775184554 /nfs/dbraw/zinc/18/45/54/775184554.db2.gz ULGPHSDKCLGWBF-ZDUSSCGKSA-N 1 1 323.397 -1.050 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)N1C(=O)CCC1=O ZINC001266943402 775187589 /nfs/dbraw/zinc/18/75/89/775187589.db2.gz XSZFPXCLFTZBCA-VHSXEESVSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)N1C(=O)CCC1=O)[NH2+]Cc1nncn1C ZINC001266943400 775187806 /nfs/dbraw/zinc/18/78/06/775187806.db2.gz XSZFPXCLFTZBCA-NXEZZACHSA-N 1 1 322.369 -1.053 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125552169 775189583 /nfs/dbraw/zinc/18/95/83/775189583.db2.gz PNBCVUPVEKEHBB-UHFFFAOYSA-N 1 1 317.415 -1.094 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)[nH]n1 ZINC001125552175 775190036 /nfs/dbraw/zinc/19/00/36/775190036.db2.gz PSEDZQHJVGAKGZ-UHFFFAOYSA-N 1 1 308.342 -1.482 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001266979202 775190977 /nfs/dbraw/zinc/19/09/77/775190977.db2.gz ZQHUZYGFQRNXGA-VIFPVBQESA-N 1 1 322.369 -1.055 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001266979345 775191328 /nfs/dbraw/zinc/19/13/28/775191328.db2.gz CVOLHIDDUPDRLY-UHFFFAOYSA-N 1 1 324.341 -1.180 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1ncnn1C ZINC001266978912 775191754 /nfs/dbraw/zinc/19/17/54/775191754.db2.gz WFIAXSDAVGLFGD-QMMMGPOBSA-N 1 1 308.342 -1.538 20 0 DAADMO Cc1cnc(C[NH2+][C@H](C)CNC(=O)CN2C(=O)CNC2=O)nc1 ZINC001266990977 775192535 /nfs/dbraw/zinc/19/25/35/775192535.db2.gz BXCINXGDRHFUBJ-SNVBAGLBSA-N 1 1 320.353 -1.069 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC001266991875 775193224 /nfs/dbraw/zinc/19/32/24/775193224.db2.gz UKJLIHXASWLVBU-MRVPVSSYSA-N 1 1 323.357 -1.399 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001266998750 775193251 /nfs/dbraw/zinc/19/32/51/775193251.db2.gz OKAXEIBZYXFNLC-ZJUUUORDSA-N 1 1 311.390 -1.048 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnns1 ZINC001266991070 775193408 /nfs/dbraw/zinc/19/34/08/775193408.db2.gz DUBCDZSPEILYGL-SSDOTTSWSA-N 1 1 312.355 -1.316 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001266998833 775193535 /nfs/dbraw/zinc/19/35/35/775193535.db2.gz PIPMCRDENVXQTF-JGVFFNPUSA-N 1 1 309.330 -2.143 20 0 DAADMO Cn1ccc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098560943 775197437 /nfs/dbraw/zinc/19/74/37/775197437.db2.gz IWBXRVSCJGZDKR-UHFFFAOYSA-N 1 1 309.370 -1.196 20 0 DAADMO COCCOCC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001267034302 775198178 /nfs/dbraw/zinc/19/81/78/775198178.db2.gz HCELKDOXLBWBMC-LLVKDONJSA-N 1 1 312.374 -1.189 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1ncc(C)cn1 ZINC001267090000 775201841 /nfs/dbraw/zinc/20/18/41/775201841.db2.gz NBRSXBOSNHOACS-UHFFFAOYSA-N 1 1 315.399 -1.118 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)C(C)(C)S(C)(=O)=O ZINC001167547286 775202154 /nfs/dbraw/zinc/20/21/54/775202154.db2.gz UXGGFRWQWDSEQA-UHFFFAOYSA-N 1 1 318.403 -1.371 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCCS1(=O)=O ZINC001267099217 775203810 /nfs/dbraw/zinc/20/38/10/775203810.db2.gz QKPSHBQHQNJHFT-LLVKDONJSA-N 1 1 315.399 -1.060 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213618524 775204602 /nfs/dbraw/zinc/20/46/02/775204602.db2.gz ZJEQOCBDIRNKGY-QJPTWQEYSA-N 1 1 312.374 -1.087 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267111331 775204708 /nfs/dbraw/zinc/20/47/08/775204708.db2.gz NQDAZPKROKARAF-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O)c1nnnn1C ZINC001087207580 775204855 /nfs/dbraw/zinc/20/48/55/775204855.db2.gz LFEVXCGZWGKOOI-BBBLOLIVSA-N 1 1 309.374 -1.027 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367015 775206462 /nfs/dbraw/zinc/20/64/62/775206462.db2.gz JRKUIUGBEHBHNK-GHMZBOCLSA-N 1 1 315.370 -1.924 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615999 775208398 /nfs/dbraw/zinc/20/83/98/775208398.db2.gz XOPXTZIPJXKWGZ-JTQLQIEISA-N 1 1 309.374 -1.014 20 0 DAADMO C[N@H+](CCNC(=O)CC(N)=O)CCN1CCCS1(=O)=O ZINC001267189762 775209571 /nfs/dbraw/zinc/20/95/71/775209571.db2.gz UHCYASKWXHBBLG-UHFFFAOYSA-N 1 1 306.388 -2.055 20 0 DAADMO C[N@@H+](CCNC(=O)CC(N)=O)CCN1CCCS1(=O)=O ZINC001267189762 775209576 /nfs/dbraw/zinc/20/95/76/775209576.db2.gz UHCYASKWXHBBLG-UHFFFAOYSA-N 1 1 306.388 -2.055 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCC1=O)CCN1C(=O)CCC1=O ZINC001267186029 775210795 /nfs/dbraw/zinc/21/07/95/775210795.db2.gz XYEWKKCSTCCCIF-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001267194949 775211176 /nfs/dbraw/zinc/21/11/76/775211176.db2.gz IXKAAPYFXIUUPZ-UHFFFAOYSA-N 1 1 323.357 -1.489 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198802 775213096 /nfs/dbraw/zinc/21/30/96/775213096.db2.gz BWIGKOJQYXXJLG-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198802 775213103 /nfs/dbraw/zinc/21/31/03/775213103.db2.gz BWIGKOJQYXXJLG-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125638576 775213345 /nfs/dbraw/zinc/21/33/45/775213345.db2.gz RQLXLBKCNBAVRE-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC1=O)C[C@H]1CCc2ncnn21 ZINC001267210422 775213547 /nfs/dbraw/zinc/21/35/47/775213547.db2.gz GYGODMYHCGTOST-MNOVXSKESA-N 1 1 306.370 -1.051 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC1=O)C[C@@H]1CCc2ncnn21 ZINC001267210424 775213560 /nfs/dbraw/zinc/21/35/60/775213560.db2.gz GYGODMYHCGTOST-QWRGUYRKSA-N 1 1 306.370 -1.051 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267200918 775213613 /nfs/dbraw/zinc/21/36/13/775213613.db2.gz SUJJFEKGTYTNRS-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267200918 775213620 /nfs/dbraw/zinc/21/36/20/775213620.db2.gz SUJJFEKGTYTNRS-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001267199023 775213687 /nfs/dbraw/zinc/21/36/87/775213687.db2.gz GYANEHFTBBPUSV-WDEREUQCSA-N 1 1 315.370 -1.421 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267221339 775215370 /nfs/dbraw/zinc/21/53/70/775215370.db2.gz DRKMYQNGMJHQQF-UHFFFAOYSA-N 1 1 324.381 -1.387 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001267229038 775216848 /nfs/dbraw/zinc/21/68/48/775216848.db2.gz FYPJXCVKMGVYOZ-SNVBAGLBSA-N 1 1 301.343 -1.809 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cncn1)[C@@H]1CCC(=O)NC1=O ZINC001267235421 775217062 /nfs/dbraw/zinc/21/70/62/775217062.db2.gz BMCVFHJWQUTYKM-LLVKDONJSA-N 1 1 322.369 -1.089 20 0 DAADMO CC[N@H+](CCNC(=O)[C@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267251571 775219110 /nfs/dbraw/zinc/21/91/10/775219110.db2.gz KORJCCWKFQONSI-CYBMUJFWSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267251571 775219114 /nfs/dbraw/zinc/21/91/14/775219114.db2.gz KORJCCWKFQONSI-CYBMUJFWSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267251572 775219652 /nfs/dbraw/zinc/21/96/52/775219652.db2.gz KORJCCWKFQONSI-ZDUSSCGKSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@]1(C)CCNC1=O)CC(=O)NC(N)=O ZINC001267251572 775219663 /nfs/dbraw/zinc/21/96/63/775219663.db2.gz KORJCCWKFQONSI-ZDUSSCGKSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@H+](CCNC(=O)C(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC001267248542 775220059 /nfs/dbraw/zinc/22/00/59/775220059.db2.gz CAKBVEBYEMRMPG-UHFFFAOYSA-N 1 1 311.342 -2.493 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC001267248542 775220066 /nfs/dbraw/zinc/22/00/66/775220066.db2.gz CAKBVEBYEMRMPG-UHFFFAOYSA-N 1 1 311.342 -2.493 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001267255722 775220369 /nfs/dbraw/zinc/22/03/69/775220369.db2.gz AZRVAIUYNOMLNY-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001267255722 775220374 /nfs/dbraw/zinc/22/03/74/775220374.db2.gz AZRVAIUYNOMLNY-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)CCN1C(=O)NC(C)(C)C1=O ZINC001267249201 775220812 /nfs/dbraw/zinc/22/08/12/775220812.db2.gz PZXLZADTOKLSTJ-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267281740 775221769 /nfs/dbraw/zinc/22/17/69/775221769.db2.gz KYWNPXVPMFJNHA-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)CC1 ZINC001267274506 775222127 /nfs/dbraw/zinc/22/21/27/775222127.db2.gz PNKAAYVETMAOKH-UWVGGRQHSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)CC1 ZINC001267274506 775222137 /nfs/dbraw/zinc/22/21/37/775222137.db2.gz PNKAAYVETMAOKH-UWVGGRQHSA-N 1 1 322.365 -1.362 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001267279979 775222336 /nfs/dbraw/zinc/22/23/36/775222336.db2.gz PGXHAQZQCSANKX-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001267279979 775222340 /nfs/dbraw/zinc/22/23/40/775222340.db2.gz PGXHAQZQCSANKX-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO CCOCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001267282083 775222610 /nfs/dbraw/zinc/22/26/10/775222610.db2.gz OJRBWSQZXDSHRE-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267281741 775222800 /nfs/dbraw/zinc/22/28/00/775222800.db2.gz KYWNPXVPMFJNHA-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001267305138 775226977 /nfs/dbraw/zinc/22/69/77/775226977.db2.gz HSLODZLOOOUMGY-ZJUUUORDSA-N 1 1 323.353 -2.135 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)C[C@H]1CC(=O)NC1=O)CC(N)=O ZINC001267341167 775229236 /nfs/dbraw/zinc/22/92/36/775229236.db2.gz VXTGGYMDJHHBIV-JTQLQIEISA-N 1 1 312.370 -1.259 20 0 DAADMO CCCn1nnnc1C[NH2+]CCN(C)C(=O)CNC(=O)OC ZINC001267350098 775229965 /nfs/dbraw/zinc/22/99/65/775229965.db2.gz PIFYZLXVLKKDJT-UHFFFAOYSA-N 1 1 313.362 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098581830 775232776 /nfs/dbraw/zinc/23/27/76/775232776.db2.gz CVOCPUUPZIBMDH-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)CNC(=O)N1CCCC1 ZINC001267372373 775233054 /nfs/dbraw/zinc/23/30/54/775233054.db2.gz OBLTUJCHOVCOAI-UHFFFAOYSA-N 1 1 324.389 -1.437 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001267408604 775236903 /nfs/dbraw/zinc/23/69/03/775236903.db2.gz JOJBLAFCSALCDM-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001267421352 775238664 /nfs/dbraw/zinc/23/86/64/775238664.db2.gz YIMAVDSMUFEXMC-NSHDSACASA-N 1 1 309.374 -1.164 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001267421351 775239088 /nfs/dbraw/zinc/23/90/88/775239088.db2.gz YIMAVDSMUFEXMC-LLVKDONJSA-N 1 1 309.374 -1.164 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001267441107 775240227 /nfs/dbraw/zinc/24/02/27/775240227.db2.gz HMBYSFHIVIJIGU-UHFFFAOYSA-N 1 1 311.390 -1.080 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114944162 775242546 /nfs/dbraw/zinc/24/25/46/775242546.db2.gz DJEWKUINDYJWJE-JDICNCQASA-N 1 1 311.342 -2.294 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114944162 775242549 /nfs/dbraw/zinc/24/25/49/775242549.db2.gz DJEWKUINDYJWJE-JDICNCQASA-N 1 1 311.342 -2.294 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114944568 775243416 /nfs/dbraw/zinc/24/34/16/775243416.db2.gz HCLOZSJCJADGIX-YABSGUDNSA-N 1 1 323.397 -1.464 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087286679 775246404 /nfs/dbraw/zinc/24/64/04/775246404.db2.gz VRPAQHWSYQOYOI-BIMULSAOSA-N 1 1 321.385 -1.236 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267502356 775247388 /nfs/dbraw/zinc/24/73/88/775247388.db2.gz SCERWIHVZADXQH-RYUDHWBXSA-N 1 1 324.381 -1.244 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267502357 775247965 /nfs/dbraw/zinc/24/79/65/775247965.db2.gz SCERWIHVZADXQH-VXGBXAGGSA-N 1 1 324.381 -1.244 20 0 DAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCNC1 ZINC001161418712 775250837 /nfs/dbraw/zinc/25/08/37/775250837.db2.gz MLAQYHUPNZTQMG-UHFFFAOYSA-N 1 1 300.319 -4.317 20 0 DAADMO NC(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267554581 775250877 /nfs/dbraw/zinc/25/08/77/775250877.db2.gz INXRRWGBWOHVFT-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111988937 775254846 /nfs/dbraw/zinc/25/48/46/775254846.db2.gz VMZADKPZVJLQGI-JQWIXIFHSA-N 1 1 305.400 -1.501 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149272546 775258610 /nfs/dbraw/zinc/25/86/10/775258610.db2.gz IOKRRTOQNMOBGU-LLVKDONJSA-N 1 1 303.359 -1.068 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)n1 ZINC001087381362 775258954 /nfs/dbraw/zinc/25/89/54/775258954.db2.gz HJWDAZVLJRIHSZ-YFKTTZPYSA-N 1 1 306.370 -1.015 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC(N)=O)n1 ZINC001087380723 775259197 /nfs/dbraw/zinc/25/91/97/775259197.db2.gz YBFRNOMQBBZRJX-ZDCRXTMVSA-N 1 1 319.369 -1.522 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CC(N)=O)C2)n1 ZINC001087380721 775259482 /nfs/dbraw/zinc/25/94/82/775259482.db2.gz YBFRNOMQBBZRJX-NAKRPEOUSA-N 1 1 319.369 -1.522 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098602071 775259582 /nfs/dbraw/zinc/25/95/82/775259582.db2.gz ZPXKZPUBRXICPZ-LBPRGKRZSA-N 1 1 310.358 -1.731 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098602070 775259632 /nfs/dbraw/zinc/25/96/32/775259632.db2.gz ZPXKZPUBRXICPZ-GFCCVEGCSA-N 1 1 310.358 -1.731 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)n1 ZINC001087381361 775259651 /nfs/dbraw/zinc/25/96/51/775259651.db2.gz HJWDAZVLJRIHSZ-USZNOCQGSA-N 1 1 306.370 -1.015 20 0 DAADMO COCCOC[C@@H](O)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267655286 775262041 /nfs/dbraw/zinc/26/20/41/775262041.db2.gz PKTIKJRITDUOFU-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC1CC1 ZINC001087384697 775263549 /nfs/dbraw/zinc/26/35/49/775263549.db2.gz LOYBJTBNYPRZEH-SQNXGDPESA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(=O)NC2CC2)C1 ZINC001087384695 775264228 /nfs/dbraw/zinc/26/42/28/775264228.db2.gz LOYBJTBNYPRZEH-BQUFFADESA-N 1 1 320.393 -1.081 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C(F)(F)F ZINC001112037895 775265214 /nfs/dbraw/zinc/26/52/14/775265214.db2.gz WIOPIBDWHADHRZ-RKDXNWHRSA-N 1 1 324.303 -1.153 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112036912 775265869 /nfs/dbraw/zinc/26/58/69/775265869.db2.gz VSSWPTOETCNCNQ-FTLITQJKSA-N 1 1 324.303 -1.025 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001267700284 775268977 /nfs/dbraw/zinc/26/89/77/775268977.db2.gz MCCLSVMIIHYGPR-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO COCCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001267700284 775268979 /nfs/dbraw/zinc/26/89/79/775268979.db2.gz MCCLSVMIIHYGPR-RYUDHWBXSA-N 1 1 310.358 -1.379 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267703037 775269002 /nfs/dbraw/zinc/26/90/02/775269002.db2.gz KTUZPEFKFJSMPC-SECBINFHSA-N 1 1 311.342 -2.196 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100768014 775269799 /nfs/dbraw/zinc/26/97/99/775269799.db2.gz NGPONWZSRWMOSP-UHFFFAOYSA-N 1 1 323.357 -1.252 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100768014 775269808 /nfs/dbraw/zinc/26/98/08/775269808.db2.gz NGPONWZSRWMOSP-UHFFFAOYSA-N 1 1 323.357 -1.252 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCNC1=O ZINC001267712311 775269875 /nfs/dbraw/zinc/26/98/75/775269875.db2.gz OHOORBHZBLGZBG-UUIJZJDISA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C(F)(F)F ZINC001112045751 775274123 /nfs/dbraw/zinc/27/41/23/775274123.db2.gz LVUGAKJLWVPEOA-PHDIDXHHSA-N 1 1 311.264 -1.881 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112051942 775275638 /nfs/dbraw/zinc/27/56/38/775275638.db2.gz REUGGSUEHVAVCF-RKDXNWHRSA-N 1 1 324.303 -1.071 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267771460 775280601 /nfs/dbraw/zinc/28/06/01/775280601.db2.gz GUIAJFPZDJQWLP-ZJUUUORDSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267771460 775280608 /nfs/dbraw/zinc/28/06/08/775280608.db2.gz GUIAJFPZDJQWLP-ZJUUUORDSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098615324 775280837 /nfs/dbraw/zinc/28/08/37/775280837.db2.gz PFAYCNZQOIEZPW-JTQLQIEISA-N 1 1 311.346 -2.198 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098615325 775280993 /nfs/dbraw/zinc/28/09/93/775280993.db2.gz PFAYCNZQOIEZPW-SNVBAGLBSA-N 1 1 311.346 -2.198 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267778782 775281088 /nfs/dbraw/zinc/28/10/88/775281088.db2.gz HGWLUYSGECPINA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267778782 775281092 /nfs/dbraw/zinc/28/10/92/775281092.db2.gz HGWLUYSGECPINA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001267860148 775285967 /nfs/dbraw/zinc/28/59/67/775285967.db2.gz RWTUBKDUOOXYNL-HZMBPMFUSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001279792395 775286021 /nfs/dbraw/zinc/28/60/21/775286021.db2.gz VZBGOXVQVPBEJQ-ZDUSSCGKSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N1CC(n2cc(C[NH2+]CCN3CCNC3=O)nn2)C1 ZINC001105127667 775286126 /nfs/dbraw/zinc/28/61/26/775286126.db2.gz ALYFGMOBYOJPMB-UHFFFAOYSA-N 1 1 307.358 -1.204 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@@H]2C(N)=O)[nH]1 ZINC001279791497 775286149 /nfs/dbraw/zinc/28/61/49/775286149.db2.gz HGPOTYCDJUUJFD-WDEREUQCSA-N 1 1 324.385 -1.465 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001267860152 775286265 /nfs/dbraw/zinc/28/62/65/775286265.db2.gz RWTUBKDUOOXYNL-QMTHXVAHSA-N 1 1 321.385 -1.279 20 0 DAADMO COCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](O)COC)nn2)C1 ZINC001105120132 775286409 /nfs/dbraw/zinc/28/64/09/775286409.db2.gz RYGPJYOPQMJEOU-GFCCVEGCSA-N 1 1 313.358 -1.595 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001267860154 775286995 /nfs/dbraw/zinc/28/69/95/775286995.db2.gz RWTUBKDUOOXYNL-YGRLFVJLSA-N 1 1 321.385 -1.279 20 0 DAADMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105141974 775287999 /nfs/dbraw/zinc/28/79/99/775287999.db2.gz DXYWLGZHYFBWOD-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105221339 775292071 /nfs/dbraw/zinc/29/20/71/775292071.db2.gz HOCCMLBAKQGWJB-UHFFFAOYSA-N 1 1 310.358 -1.467 20 0 DAADMO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105221603 775292443 /nfs/dbraw/zinc/29/24/43/775292443.db2.gz QIZQUBKTOGVEOX-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105221750 775292458 /nfs/dbraw/zinc/29/24/58/775292458.db2.gz SWAMITOGJVBSHX-UHFFFAOYSA-N 1 1 322.369 -1.778 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105216560 775293041 /nfs/dbraw/zinc/29/30/41/775293041.db2.gz WJNUJYPUDACRLQ-CYBMUJFWSA-N 1 1 324.385 -1.926 20 0 DAADMO Cn1oc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)cc1=O ZINC001105227454 775295014 /nfs/dbraw/zinc/29/50/14/775295014.db2.gz KSOHIMXGPZGUGO-UHFFFAOYSA-N 1 1 322.325 -1.651 20 0 DAADMO Cc1nnc(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)[nH]1 ZINC001105235811 775295440 /nfs/dbraw/zinc/29/54/40/775295440.db2.gz UGTARJVYBDTPNA-UHFFFAOYSA-N 1 1 320.357 -1.587 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CC1=O ZINC001105253964 775296880 /nfs/dbraw/zinc/29/68/80/775296880.db2.gz LPGRLOHHBFZIOD-JTQLQIEISA-N 1 1 322.369 -1.778 20 0 DAADMO Cn1[nH]c(C[NH+]2CCC(CCNC(=O)C(N)=O)CC2)nc1=O ZINC001267946337 775299676 /nfs/dbraw/zinc/29/96/76/775299676.db2.gz NROHXSBXYJXAPE-UHFFFAOYSA-N 1 1 310.358 -1.688 20 0 DAADMO C[C@]1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CNC(=O)C1 ZINC001105289795 775300885 /nfs/dbraw/zinc/30/08/85/775300885.db2.gz JDCMYRYNVINTMW-CQSZACIVSA-N 1 1 322.369 -1.731 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105301430 775301577 /nfs/dbraw/zinc/30/15/77/775301577.db2.gz PHGABCHCZAWRPE-RYUDHWBXSA-N 1 1 322.369 -1.745 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105295089 775303014 /nfs/dbraw/zinc/30/30/14/775303014.db2.gz YETGMEBJJDSEIZ-UHFFFAOYSA-N 1 1 306.330 -1.516 20 0 DAADMO CC(C)OCC[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315382 775304206 /nfs/dbraw/zinc/30/42/06/775304206.db2.gz KKYGBPKESIAVHD-UHFFFAOYSA-N 1 1 310.358 -1.339 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105312551 775304379 /nfs/dbraw/zinc/30/43/79/775304379.db2.gz RMDWYXPLXILGNH-GFCCVEGCSA-N 1 1 322.369 -1.636 20 0 DAADMO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCOCC3CC3)nn2)C1 ZINC001105315471 775307940 /nfs/dbraw/zinc/30/79/40/775307940.db2.gz PLCBCLHWPRTPPE-UHFFFAOYSA-N 1 1 322.369 -1.337 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114945388 775310761 /nfs/dbraw/zinc/31/07/61/775310761.db2.gz NKIKZTPQFVBTAS-WHOHXGKFSA-N 1 1 319.427 -1.401 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105333269 775312656 /nfs/dbraw/zinc/31/26/56/775312656.db2.gz HRVLBBFJWPMHRX-CYBMUJFWSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125957058 775312702 /nfs/dbraw/zinc/31/27/02/775312702.db2.gz TUECJJRSIOYSOJ-LLVKDONJSA-N 1 1 311.390 -1.210 20 0 DAADMO O=C(c1ccnnc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105333185 775313042 /nfs/dbraw/zinc/31/30/42/775313042.db2.gz GSWHBDSYDLWYTA-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001125961919 775313844 /nfs/dbraw/zinc/31/38/44/775313844.db2.gz XVVBSHJKJAXXQJ-LLVKDONJSA-N 1 1 314.365 -1.216 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CCN1C(=O)CCC1=O ZINC001268009405 775314399 /nfs/dbraw/zinc/31/43/99/775314399.db2.gz PBYDTJMXUZLZEE-JTQLQIEISA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CCN1C(=O)CCC1=O ZINC001268009435 775315513 /nfs/dbraw/zinc/31/55/13/775315513.db2.gz PBYDTJMXUZLZEE-SNVBAGLBSA-N 1 1 322.369 -1.162 20 0 DAADMO COCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001268023781 775322025 /nfs/dbraw/zinc/32/20/25/775322025.db2.gz QEJRCVIMHBLRHG-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001268023781 775322038 /nfs/dbraw/zinc/32/20/38/775322038.db2.gz QEJRCVIMHBLRHG-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126022157 775322183 /nfs/dbraw/zinc/32/21/83/775322183.db2.gz ZDHIQKIBMYFVME-UHFFFAOYSA-N 1 1 308.346 -1.190 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994818 775322355 /nfs/dbraw/zinc/32/23/55/775322355.db2.gz TUYRICXYLUZOTF-XZMZPDFPSA-N 1 1 308.298 -1.687 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994818 775322370 /nfs/dbraw/zinc/32/23/70/775322370.db2.gz TUYRICXYLUZOTF-XZMZPDFPSA-N 1 1 308.298 -1.687 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024952 775325291 /nfs/dbraw/zinc/32/52/91/775325291.db2.gz NBWMYCUUEZVWPX-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024952 775325303 /nfs/dbraw/zinc/32/53/03/775325303.db2.gz NBWMYCUUEZVWPX-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980046 775328504 /nfs/dbraw/zinc/32/85/04/775328504.db2.gz JWLZKZAIZSXUNX-NMKXLXIOSA-N 1 1 310.398 -1.371 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980046 775328512 /nfs/dbraw/zinc/32/85/12/775328512.db2.gz JWLZKZAIZSXUNX-NMKXLXIOSA-N 1 1 310.398 -1.371 20 0 DAADMO CNC(=O)CC(=O)NCC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001222955966 775330973 /nfs/dbraw/zinc/33/09/73/775330973.db2.gz HGQRMPRYLLOIKV-UHFFFAOYSA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)CC(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001126170410 775331036 /nfs/dbraw/zinc/33/10/36/775331036.db2.gz ZYUIWCNJVNLUMT-LLVKDONJSA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nc(C2CC2)nn1C ZINC001126194253 775332526 /nfs/dbraw/zinc/33/25/26/775332526.db2.gz FXMXPSUPTPDXPE-QMMMGPOBSA-N 1 1 309.374 -1.045 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001126199173 775334108 /nfs/dbraw/zinc/33/41/08/775334108.db2.gz OQAAVWMDQSKWBH-QMMMGPOBSA-N 1 1 309.374 -1.045 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001126199069 775334325 /nfs/dbraw/zinc/33/43/25/775334325.db2.gz MNOKVOMFDGLOLQ-ZETCQYMHSA-N 1 1 319.316 -1.194 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001126199407 775334786 /nfs/dbraw/zinc/33/47/86/775334786.db2.gz SLVHTGFWBTZGML-VIFPVBQESA-N 1 1 309.374 -1.049 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001149136652 775340470 /nfs/dbraw/zinc/34/04/70/775340470.db2.gz JLIBXTNQUIONBK-GFCCVEGCSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096289 775345073 /nfs/dbraw/zinc/34/50/73/775345073.db2.gz PLMJUFHCAWMRBH-SECBINFHSA-N 1 1 323.357 -1.697 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268095864 775346049 /nfs/dbraw/zinc/34/60/49/775346049.db2.gz XIMNJPLYYVORLU-SECBINFHSA-N 1 1 324.341 -1.100 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001098514551 775348309 /nfs/dbraw/zinc/34/83/09/775348309.db2.gz YVHMSNNZFUHNIP-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001268195208 775350270 /nfs/dbraw/zinc/35/02/70/775350270.db2.gz PSQGXPJPBUPQJN-LBPRGKRZSA-N 1 1 316.402 -1.105 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001268201694 775350737 /nfs/dbraw/zinc/35/07/37/775350737.db2.gz ABUACGQUEAQFSG-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001268201694 775350741 /nfs/dbraw/zinc/35/07/41/775350741.db2.gz ABUACGQUEAQFSG-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001105359554 775350767 /nfs/dbraw/zinc/35/07/67/775350767.db2.gz NBDXHRCSYYAHNL-UHFFFAOYSA-N 1 1 320.357 -1.242 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CCC1=O)C(=O)c1cn(C)nn1 ZINC001268236222 775352359 /nfs/dbraw/zinc/35/23/59/775352359.db2.gz TYMUTYCCTIWDRE-UHFFFAOYSA-N 1 1 322.369 -1.032 20 0 DAADMO CC(C)[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001268226752 775352771 /nfs/dbraw/zinc/35/27/71/775352771.db2.gz MRKHVRGUVMDRRV-SNVBAGLBSA-N 1 1 324.341 -1.148 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)c1nccnc1N ZINC001268233532 775353182 /nfs/dbraw/zinc/35/31/82/775353182.db2.gz PPXQQFNVTAHAON-VIFPVBQESA-N 1 1 320.353 -1.132 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)c1nccnc1N ZINC001268233532 775353190 /nfs/dbraw/zinc/35/31/90/775353190.db2.gz PPXQQFNVTAHAON-VIFPVBQESA-N 1 1 320.353 -1.132 20 0 DAADMO CN(CC[N@H+](C)Cc1cnn(C)c1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268240051 775353448 /nfs/dbraw/zinc/35/34/48/775353448.db2.gz YVUWPBQUMXUGMH-NSHDSACASA-N 1 1 322.369 -1.092 20 0 DAADMO CN(CC[N@@H+](C)Cc1cnn(C)c1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268240051 775353462 /nfs/dbraw/zinc/35/34/62/775353462.db2.gz YVUWPBQUMXUGMH-NSHDSACASA-N 1 1 322.369 -1.092 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@@H]1CCC(=O)NC1 ZINC001268242143 775354239 /nfs/dbraw/zinc/35/42/39/775354239.db2.gz ICZZFYSQASLLPS-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001268257717 775355293 /nfs/dbraw/zinc/35/52/93/775355293.db2.gz ZTOMKCOWLPFCKP-UHFFFAOYSA-N 1 1 313.358 -1.983 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001268257717 775355302 /nfs/dbraw/zinc/35/53/02/775355302.db2.gz ZTOMKCOWLPFCKP-UHFFFAOYSA-N 1 1 313.358 -1.983 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)n[nH]1 ZINC001268303866 775360265 /nfs/dbraw/zinc/36/02/65/775360265.db2.gz DXLSKUSGODEXJC-NSHDSACASA-N 1 1 307.358 -1.381 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)N1C(=O)CCC1=O ZINC001268307959 775361117 /nfs/dbraw/zinc/36/11/17/775361117.db2.gz XDTFVWRKVOVKNC-MWLCHTKSSA-N 1 1 324.337 -1.221 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)n[nH]1 ZINC001268306509 775362620 /nfs/dbraw/zinc/36/26/20/775362620.db2.gz XDYMSUOAZBNPQQ-JTQLQIEISA-N 1 1 308.346 -1.986 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268311769 775364185 /nfs/dbraw/zinc/36/41/85/775364185.db2.gz OUUUSQLEYDFAFN-RKDXNWHRSA-N 1 1 311.346 -2.697 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@@H]1CCCNC1=O ZINC001268311903 775364405 /nfs/dbraw/zinc/36/44/05/775364405.db2.gz QTQTZJKMSCZDTA-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268311766 775364847 /nfs/dbraw/zinc/36/48/47/775364847.db2.gz OUUUSQLEYDFAFN-BDAKNGLRSA-N 1 1 311.346 -2.697 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@@H]1CCCNC1=O ZINC001268311905 775364912 /nfs/dbraw/zinc/36/49/12/775364912.db2.gz QTQTZJKMSCZDTA-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO COCCCC[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001268319070 775368340 /nfs/dbraw/zinc/36/83/40/775368340.db2.gz ZJVONFKOUMADPQ-UHFFFAOYSA-N 1 1 324.381 -1.226 20 0 DAADMO Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C2=NC(=O)N(C)C2)cn1 ZINC001268323972 775370384 /nfs/dbraw/zinc/37/03/84/775370384.db2.gz QCCBLXLEJMSFGK-LLVKDONJSA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CCNC1=O ZINC001268322337 775371335 /nfs/dbraw/zinc/37/13/35/775371335.db2.gz JDJMJOOOUXYIAO-PELKAZGASA-N 1 1 313.383 -1.369 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)no1 ZINC001268335981 775377360 /nfs/dbraw/zinc/37/73/60/775377360.db2.gz BHWJIAPCQQLNQP-KOLCDFICSA-N 1 1 324.337 -1.397 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3C[C@H]4C[C@H]4C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001167911009 775383492 /nfs/dbraw/zinc/38/34/92/775383492.db2.gz YYKCFVQTFQJUHO-NLTGAPFQSA-N 1 1 322.365 -1.134 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CCn1ccnn1 ZINC001268447100 775383885 /nfs/dbraw/zinc/38/38/85/775383885.db2.gz VUJWIAMTSQXFHP-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO CCN(CC[NH2+]Cc1nncn1C)C(=O)CN1CCOCC1=O ZINC001268454964 775384745 /nfs/dbraw/zinc/38/47/45/775384745.db2.gz WKBGXVFEQYFUDS-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)c1cnc[nH]c1=O ZINC001268458080 775386730 /nfs/dbraw/zinc/38/67/30/775386730.db2.gz DBTLRETVKLCIAN-UHFFFAOYSA-N 1 1 306.330 -1.042 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212178020 775388195 /nfs/dbraw/zinc/38/81/95/775388195.db2.gz FPKKICJFIXDDBZ-OPRDCNLKSA-N 1 1 300.359 -1.798 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212178020 775388207 /nfs/dbraw/zinc/38/82/07/775388207.db2.gz FPKKICJFIXDDBZ-OPRDCNLKSA-N 1 1 300.359 -1.798 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211750424 775388518 /nfs/dbraw/zinc/38/85/18/775388518.db2.gz RXOCMCGZUXPFJA-GHMZBOCLSA-N 1 1 300.359 -1.527 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211750424 775388527 /nfs/dbraw/zinc/38/85/27/775388527.db2.gz RXOCMCGZUXPFJA-GHMZBOCLSA-N 1 1 300.359 -1.527 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211749779 775388971 /nfs/dbraw/zinc/38/89/71/775388971.db2.gz ASGPJZYITNBWJY-YNEHKIRRSA-N 1 1 320.386 -1.528 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1OC ZINC001211755053 775389742 /nfs/dbraw/zinc/38/97/42/775389742.db2.gz VGMNSNWWNZZYMP-YNEHKIRRSA-N 1 1 312.370 -1.294 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211776972 775391688 /nfs/dbraw/zinc/39/16/88/775391688.db2.gz YESANJVHPRLNEC-CHWSQXEVSA-N 1 1 317.386 -1.399 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CNC(C)=O ZINC001211781523 775392742 /nfs/dbraw/zinc/39/27/42/775392742.db2.gz CWULBIXBGBKJFB-CHWSQXEVSA-N 1 1 309.370 -1.165 20 0 DAADMO COc1cncc(C[NH2+]C/C=C/CNC(=O)Cn2cnnn2)n1 ZINC001268511912 775395193 /nfs/dbraw/zinc/39/51/93/775395193.db2.gz SUCMZNJTFOWNRC-NSCUHMNNSA-N 1 1 318.341 -1.066 20 0 DAADMO Cn1nccc1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268526062 775395252 /nfs/dbraw/zinc/39/52/52/775395252.db2.gz UTMUGQSJOZQFPA-ONEGZZNKSA-N 1 1 305.342 -1.082 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212178300 775395321 /nfs/dbraw/zinc/39/53/21/775395321.db2.gz QPKGBLRPKHHWPQ-HBNTYKKESA-N 1 1 303.359 -2.055 20 0 DAADMO CN1C[C@@H](C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001268545451 775397462 /nfs/dbraw/zinc/39/74/62/775397462.db2.gz NVKJRNMTUJHNGC-XOULXFPDSA-N 1 1 322.369 -1.651 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C/CNC(=O)CN1CCOCC1=O ZINC001268550989 775398052 /nfs/dbraw/zinc/39/80/52/775398052.db2.gz YHGSFQXLPCZVQY-NSCUHMNNSA-N 1 1 322.369 -1.564 20 0 DAADMO C[NH+]1CCN(C(=O)c2ccnc(NC(CO)(CO)CO)c2)CC1 ZINC001167923628 775400099 /nfs/dbraw/zinc/40/00/99/775400099.db2.gz AALZAZCYPPAEHG-UHFFFAOYSA-N 1 1 324.381 -1.403 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211823003 775402983 /nfs/dbraw/zinc/40/29/83/775402983.db2.gz RKSNUGSMBQUCJC-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CNC(N)=O ZINC001211833475 775404815 /nfs/dbraw/zinc/40/48/15/775404815.db2.gz ARZYNRHCYMETCI-RKDXNWHRSA-N 1 1 324.328 -1.248 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CNC(N)=O ZINC001211833475 775404824 /nfs/dbraw/zinc/40/48/24/775404824.db2.gz ARZYNRHCYMETCI-RKDXNWHRSA-N 1 1 324.328 -1.248 20 0 DAADMO CN1CC(C(=O)NCC=CC[NH2+][C@H]2CCC(=O)NC2=O)=NC1=O ZINC001268588809 775404863 /nfs/dbraw/zinc/40/48/63/775404863.db2.gz VWYZNNQPRSMUAY-HPOULIHZSA-N 1 1 321.337 -1.194 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833790 775405098 /nfs/dbraw/zinc/40/50/98/775405098.db2.gz MWVCEGQLGFOHFW-IVZWLZJFSA-N 1 1 304.347 -2.523 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098682812 775406146 /nfs/dbraw/zinc/40/61/46/775406146.db2.gz HIDSNVYFZHXWAM-NSHDSACASA-N 1 1 324.385 -1.355 20 0 DAADMO Cn1ccc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105372456 775407283 /nfs/dbraw/zinc/40/72/83/775407283.db2.gz HYZYFGTYNZVEMF-UHFFFAOYSA-N 1 1 305.342 -1.209 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2ncn[nH]2)CCO1 ZINC001268607579 775409185 /nfs/dbraw/zinc/40/91/85/775409185.db2.gz SGZIEIYNPSHOSR-QUCGXOGASA-N 1 1 322.369 -1.072 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2nc[nH]n2)CCO1 ZINC001268607579 775409196 /nfs/dbraw/zinc/40/91/96/775409196.db2.gz SGZIEIYNPSHOSR-QUCGXOGASA-N 1 1 322.369 -1.072 20 0 DAADMO CNS(=O)(=O)CC(=O)NC/C=C/C[NH2+]Cc1nncn1C ZINC001268629827 775410167 /nfs/dbraw/zinc/41/01/67/775410167.db2.gz ZYGZRRPHVQJIOK-ONEGZZNKSA-N 1 1 316.387 -1.874 20 0 DAADMO CNS(=O)(=O)CC(=O)NC/C=C\C[NH2+]Cc1nncn1C ZINC001268629821 775410497 /nfs/dbraw/zinc/41/04/97/775410497.db2.gz ZYGZRRPHVQJIOK-ARJAWSKDSA-N 1 1 316.387 -1.874 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1CCNC1=O ZINC001268656845 775412602 /nfs/dbraw/zinc/41/26/02/775412602.db2.gz FTSPBZFSFJUYAU-ZJUUUORDSA-N 1 1 312.349 -1.022 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001268676408 775414999 /nfs/dbraw/zinc/41/49/99/775414999.db2.gz VOHDOXSCSWWMOF-BDAKNGLRSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCN1C(=O)CCC1=O ZINC001268695727 775416305 /nfs/dbraw/zinc/41/63/05/775416305.db2.gz VFKGKFOHWJDNJC-JTQLQIEISA-N 1 1 322.369 -1.052 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCN1C(=O)CCC1=O ZINC001268694386 775416465 /nfs/dbraw/zinc/41/64/65/775416465.db2.gz CCAMDYVPJHPFJG-JTQLQIEISA-N 1 1 322.369 -1.052 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001268690202 775416655 /nfs/dbraw/zinc/41/66/55/775416655.db2.gz LKABSJQFMZJUEL-WPRPVWTQSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CN1CCCC1=O ZINC001268719986 775417796 /nfs/dbraw/zinc/41/77/96/775417796.db2.gz DZWDBZCYOXKUDP-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001268720958 775418161 /nfs/dbraw/zinc/41/81/61/775418161.db2.gz PBXSRAZPFJYFAH-RKDXNWHRSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268708784 775418535 /nfs/dbraw/zinc/41/85/35/775418535.db2.gz MPJCGTBXCONMCE-QMMMGPOBSA-N 1 1 308.342 -1.538 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001268726789 775420294 /nfs/dbraw/zinc/42/02/94/775420294.db2.gz SECQMFAOYYXWSZ-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001268726789 775420299 /nfs/dbraw/zinc/42/02/99/775420299.db2.gz SECQMFAOYYXWSZ-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001268726786 775420763 /nfs/dbraw/zinc/42/07/63/775420763.db2.gz SECQMFAOYYXWSZ-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001268726786 775420767 /nfs/dbraw/zinc/42/07/67/775420767.db2.gz SECQMFAOYYXWSZ-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001268751864 775422213 /nfs/dbraw/zinc/42/22/13/775422213.db2.gz VTNBBSISKMFRBZ-SCZZXKLOSA-N 1 1 308.342 -1.330 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001268811749 775423831 /nfs/dbraw/zinc/42/38/31/775423831.db2.gz JULVZBJSJYCJBY-VIFPVBQESA-N 1 1 308.342 -1.030 20 0 DAADMO COCCOCC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001268814278 775424087 /nfs/dbraw/zinc/42/40/87/775424087.db2.gz WWESRCKKMFVQFG-NSHDSACASA-N 1 1 313.354 -1.497 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)C(=O)NCC3CC3)C2)C1=O ZINC001268891474 775428041 /nfs/dbraw/zinc/42/80/41/775428041.db2.gz CECQOJOPJVNHEI-LBPRGKRZSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001268922684 775430148 /nfs/dbraw/zinc/43/01/48/775430148.db2.gz SLUVQFIMHGSFAS-GXSJLCMTSA-N 1 1 324.381 -1.436 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[NH2+]Cc1nc(C)no1 ZINC001268953619 775431931 /nfs/dbraw/zinc/43/19/31/775431931.db2.gz KZCDMLCWPMQAQL-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CNC(=O)/C=C/C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001268987360 775432948 /nfs/dbraw/zinc/43/29/48/775432948.db2.gz QPBVTOFDZWQZHX-QSKOYVBTSA-N 1 1 320.393 -1.043 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001269013995 775435054 /nfs/dbraw/zinc/43/50/54/775435054.db2.gz BPHJZECFVKTXOT-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001269013995 775435058 /nfs/dbraw/zinc/43/50/58/775435058.db2.gz BPHJZECFVKTXOT-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO O=C(CCn1ccnn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001269018526 775435527 /nfs/dbraw/zinc/43/55/27/775435527.db2.gz BSIBZXJLFUSTLR-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(CCn1ccnn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001269018526 775435535 /nfs/dbraw/zinc/43/55/35/775435535.db2.gz BSIBZXJLFUSTLR-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001269030418 775436707 /nfs/dbraw/zinc/43/67/07/775436707.db2.gz MKSPYBGQWQBQAN-WDEREUQCSA-N 1 1 309.370 -1.678 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CCn3c(C(N)=O)cnc3C2)CC1 ZINC001269030826 775436799 /nfs/dbraw/zinc/43/67/99/775436799.db2.gz ZEWJSDVJGHLIOD-UHFFFAOYSA-N 1 1 320.397 -1.038 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001269039008 775437296 /nfs/dbraw/zinc/43/72/96/775437296.db2.gz NZIPXTNGFYYBGC-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001269052170 775438470 /nfs/dbraw/zinc/43/84/70/775438470.db2.gz WPHZLIHCBVCUDC-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269086978 775439794 /nfs/dbraw/zinc/43/97/94/775439794.db2.gz VJMXTOROFMQOCC-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269086978 775439799 /nfs/dbraw/zinc/43/97/99/775439799.db2.gz VJMXTOROFMQOCC-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001269073605 775440564 /nfs/dbraw/zinc/44/05/64/775440564.db2.gz XMIMAPBCYYQQHS-WDEREUQCSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001269073605 775440569 /nfs/dbraw/zinc/44/05/69/775440569.db2.gz XMIMAPBCYYQQHS-WDEREUQCSA-N 1 1 324.381 -1.103 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CN(CCO)CCO)C2)C1 ZINC001269094829 775441432 /nfs/dbraw/zinc/44/14/32/775441432.db2.gz KUSVIJRACLFIOZ-HNNXBMFYSA-N 1 1 315.414 -1.404 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)CN(CCO)CCO)C2)C1 ZINC001269094829 775441437 /nfs/dbraw/zinc/44/14/37/775441437.db2.gz KUSVIJRACLFIOZ-HNNXBMFYSA-N 1 1 315.414 -1.404 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001269134427 775444132 /nfs/dbraw/zinc/44/41/32/775444132.db2.gz ODAWUAKBGRZNQU-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1 ZINC001269134427 775444135 /nfs/dbraw/zinc/44/41/35/775444135.db2.gz ODAWUAKBGRZNQU-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001269142930 775445721 /nfs/dbraw/zinc/44/57/21/775445721.db2.gz PQYFGXQIYBAQCL-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001269142930 775445724 /nfs/dbraw/zinc/44/57/24/775445724.db2.gz PQYFGXQIYBAQCL-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001269142930 775445727 /nfs/dbraw/zinc/44/57/27/775445727.db2.gz PQYFGXQIYBAQCL-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001269226842 775450020 /nfs/dbraw/zinc/45/00/20/775450020.db2.gz CQVYWWGFPHXSAH-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001269226842 775450029 /nfs/dbraw/zinc/45/00/29/775450029.db2.gz CQVYWWGFPHXSAH-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001269229723 775450340 /nfs/dbraw/zinc/45/03/40/775450340.db2.gz ORSVVVXMPONCBB-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001269229723 775450346 /nfs/dbraw/zinc/45/03/46/775450346.db2.gz ORSVVVXMPONCBB-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)COCC(=O)N3C2COC2)C1 ZINC001269247169 775451224 /nfs/dbraw/zinc/45/12/24/775451224.db2.gz FAQBKLFRZATQFR-NSHDSACASA-N 1 1 309.366 -1.223 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001269262579 775453875 /nfs/dbraw/zinc/45/38/75/775453875.db2.gz JIKANGINLHYAKZ-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001269280247 775455561 /nfs/dbraw/zinc/45/55/61/775455561.db2.gz JADLEZDHSGMKSV-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001269280247 775455566 /nfs/dbraw/zinc/45/55/66/775455566.db2.gz JADLEZDHSGMKSV-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[N@H+]2CCCF)C1=O ZINC001269311467 775456475 /nfs/dbraw/zinc/45/64/75/775456475.db2.gz SJILKXGNICMVKF-VIFPVBQESA-N 1 1 314.317 -1.043 20 0 DAADMO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269312110 775456927 /nfs/dbraw/zinc/45/69/27/775456927.db2.gz CJIVHBYBJIVQNM-ORMBPQIASA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001269312110 775456929 /nfs/dbraw/zinc/45/69/29/775456929.db2.gz CJIVHBYBJIVQNM-ORMBPQIASA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001269302086 775456951 /nfs/dbraw/zinc/45/69/51/775456951.db2.gz MMTRFZQOKHWFBH-PPRSSJNSSA-N 1 1 302.327 -3.050 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302249 775457168 /nfs/dbraw/zinc/45/71/68/775457168.db2.gz OTXYBXSUTBWODB-XIXNAZORSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302249 775457172 /nfs/dbraw/zinc/45/71/72/775457172.db2.gz OTXYBXSUTBWODB-XIXNAZORSA-N 1 1 318.326 -3.672 20 0 DAADMO CN(C)C(=O)c1[nH]nc2c1CN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001269348210 775462039 /nfs/dbraw/zinc/46/20/39/775462039.db2.gz MUASYEBODGODDG-UHFFFAOYSA-N 1 1 307.358 -1.179 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001269388107 775462856 /nfs/dbraw/zinc/46/28/56/775462856.db2.gz FXLTYQWWYSJRHY-LLVKDONJSA-N 1 1 323.397 -1.129 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001269351119 775463652 /nfs/dbraw/zinc/46/36/52/775463652.db2.gz IYLLERYTXWWFOH-UHFFFAOYSA-N 1 1 322.369 -1.272 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001269417655 775464636 /nfs/dbraw/zinc/46/46/36/775464636.db2.gz NYONYLUOEAVQSR-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CN1C[C@@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)OCC1=O ZINC001269428196 775464953 /nfs/dbraw/zinc/46/49/53/775464953.db2.gz HWBNMEXGWNGFAF-OAHLLOKOSA-N 1 1 310.398 -1.307 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284517672 775466275 /nfs/dbraw/zinc/46/62/75/775466275.db2.gz YJJDSZFTTQBPHT-MWLCHTKSSA-N 1 1 315.370 -1.829 20 0 DAADMO CC[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nnnn1C ZINC001269503161 775468767 /nfs/dbraw/zinc/46/87/67/775468767.db2.gz PNASHNXPVDHTGG-MRVPVSSYSA-N 1 1 324.345 -2.254 20 0 DAADMO C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)Cc2nn[nH]n2)C1=O ZINC001269576975 775472972 /nfs/dbraw/zinc/47/29/72/775472972.db2.gz CPCWEDBVQJPCHY-AWEZNQCLSA-N 1 1 321.385 -1.103 20 0 DAADMO NC(=O)c1nnc2n1CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618849 775473131 /nfs/dbraw/zinc/47/31/31/775473131.db2.gz WWBUHORXKXCSIC-UHFFFAOYSA-N 1 1 312.330 -2.994 20 0 DAADMO NC(=O)C[C@@H]1C[C@@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@@H]2O1 ZINC001269618122 775473481 /nfs/dbraw/zinc/47/34/81/775473481.db2.gz GZAUTXFTBGQACR-WOPDTQHZSA-N 1 1 315.370 -2.236 20 0 DAADMO NC(=O)c1cc2c([nH]1)CN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269618053 775473822 /nfs/dbraw/zinc/47/38/22/775473822.db2.gz DOCGWJPHNKGVGG-UHFFFAOYSA-N 1 1 310.354 -1.715 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001269618614 775473881 /nfs/dbraw/zinc/47/38/81/775473881.db2.gz RLFCLFNOXWBILB-ZDUSSCGKSA-N 1 1 323.393 -1.480 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138634 775476524 /nfs/dbraw/zinc/47/65/24/775476524.db2.gz VZBWGTFENNLXFW-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138634 775476529 /nfs/dbraw/zinc/47/65/29/775476529.db2.gz VZBWGTFENNLXFW-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272272837 775477972 /nfs/dbraw/zinc/47/79/72/775477972.db2.gz BJPJCRNSEGJGEG-CRWXNKLISA-N 1 1 313.398 -1.043 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001269887127 775479098 /nfs/dbraw/zinc/47/90/98/775479098.db2.gz UFPZQMMCVUBSEX-NSHDSACASA-N 1 1 313.354 -1.715 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@H](OC)C1 ZINC001211842225 775481619 /nfs/dbraw/zinc/48/16/19/775481619.db2.gz PAALYGXGBPPHQP-YNEHKIRRSA-N 1 1 312.370 -1.294 20 0 DAADMO Cn1[nH]c(C[NH+]2CCC(CCNC(=O)CC(N)=O)CC2)nc1=O ZINC001270101840 775483964 /nfs/dbraw/zinc/48/39/64/775483964.db2.gz BTSKUKMWWGTTOI-UHFFFAOYSA-N 1 1 324.385 -1.298 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001270165105 775484789 /nfs/dbraw/zinc/48/47/89/775484789.db2.gz IIIUUCXGUPSKEP-JTQLQIEISA-N 1 1 315.399 -1.028 20 0 DAADMO COCCCNC(=O)C[NH+]1CCC(C)(NC(=O)C(N)=O)CC1 ZINC001270249187 775488549 /nfs/dbraw/zinc/48/85/49/775488549.db2.gz PFSZIHCDUGVQIX-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO C[C@H](CNC(=O)Cc1cnc[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270525243 775496159 /nfs/dbraw/zinc/49/61/59/775496159.db2.gz FZWPWWCHTPNELL-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnc[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270525244 775496511 /nfs/dbraw/zinc/49/65/11/775496511.db2.gz FZWPWWCHTPNELL-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO COCCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619056 775499283 /nfs/dbraw/zinc/49/92/83/775499283.db2.gz AGQVDUGJSHRRFU-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619056 775499289 /nfs/dbraw/zinc/49/92/89/775499289.db2.gz AGQVDUGJSHRRFU-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001270622681 775499459 /nfs/dbraw/zinc/49/94/59/775499459.db2.gz AOAJUKJUZADMSO-RISCZKNCSA-N 1 1 314.386 -1.089 20 0 DAADMO CCOCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619344 775499463 /nfs/dbraw/zinc/49/94/63/775499463.db2.gz CYJYNXXZMCWJFQ-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619344 775499464 /nfs/dbraw/zinc/49/94/64/775499464.db2.gz CYJYNXXZMCWJFQ-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@@]1(NC(=O)CCn2cc[nH]c(=O)c2=O)CC[N@@H+](CCO)C1 ZINC001270643143 775500928 /nfs/dbraw/zinc/50/09/28/775500928.db2.gz RFNMRDYEPFTLNU-CQSZACIVSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167976726 775502125 /nfs/dbraw/zinc/50/21/25/775502125.db2.gz DPOYJHPRCAQUGX-VIFPVBQESA-N 1 1 310.358 -1.121 20 0 DAADMO COCCC[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001270658371 775502338 /nfs/dbraw/zinc/50/23/38/775502338.db2.gz PVXORDSTAHTNDZ-AWEZNQCLSA-N 1 1 324.385 -1.006 20 0 DAADMO O=C1NC[C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982544 775502356 /nfs/dbraw/zinc/50/23/56/775502356.db2.gz DTSDHNXSZUDQTE-MNOVXSKESA-N 1 1 313.354 -2.469 20 0 DAADMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982544 775502365 /nfs/dbraw/zinc/50/23/65/775502365.db2.gz DTSDHNXSZUDQTE-MNOVXSKESA-N 1 1 313.354 -2.469 20 0 DAADMO Cc1nonc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105383123 775502640 /nfs/dbraw/zinc/50/26/40/775502640.db2.gz TWROOPSHAIATAZ-UHFFFAOYSA-N 1 1 307.314 -1.251 20 0 DAADMO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982543 775502914 /nfs/dbraw/zinc/50/29/14/775502914.db2.gz DTSDHNXSZUDQTE-GHMZBOCLSA-N 1 1 313.354 -2.469 20 0 DAADMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982543 775502922 /nfs/dbraw/zinc/50/29/22/775502922.db2.gz DTSDHNXSZUDQTE-GHMZBOCLSA-N 1 1 313.354 -2.469 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702440 775505846 /nfs/dbraw/zinc/50/58/46/775505846.db2.gz ONBNGVMXNURNPP-UHFFFAOYSA-N 1 1 323.441 -1.391 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087497458 775513823 /nfs/dbraw/zinc/51/38/23/775513823.db2.gz PLQXRIFMGMOYSL-NWDGAFQWSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087497458 775513828 /nfs/dbraw/zinc/51/38/28/775513828.db2.gz PLQXRIFMGMOYSL-NWDGAFQWSA-N 1 1 321.385 -1.079 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC001167990150 775514242 /nfs/dbraw/zinc/51/42/42/775514242.db2.gz MXUWRUQUXRWLHQ-NXEZZACHSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC001167990150 775514245 /nfs/dbraw/zinc/51/42/45/775514245.db2.gz MXUWRUQUXRWLHQ-NXEZZACHSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698661 775515221 /nfs/dbraw/zinc/51/52/21/775515221.db2.gz WNAXCKQBWKRIDU-PWSUYJOCSA-N 1 1 324.385 -1.355 20 0 DAADMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155712 775516373 /nfs/dbraw/zinc/51/63/73/775516373.db2.gz GFZTVIVNXXTFGS-RNFRBKRXSA-N 1 1 310.276 -1.413 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112156084 775516814 /nfs/dbraw/zinc/51/68/14/775516814.db2.gz YKCIRHGDCKMPBH-HTQZYQBOSA-N 1 1 322.287 -1.271 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001149318142 775518177 /nfs/dbraw/zinc/51/81/77/775518177.db2.gz SYXIYPNPDWVWEU-ONGXEEELSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001270993170 775521897 /nfs/dbraw/zinc/52/18/97/775521897.db2.gz YJBLNZPPMUWSAK-SWLSCSKDSA-N 1 1 323.397 -1.052 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001270993171 775522029 /nfs/dbraw/zinc/52/20/29/775522029.db2.gz YJBLNZPPMUWSAK-WFASDCNBSA-N 1 1 323.397 -1.052 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCCNC1=O ZINC001271005693 775522854 /nfs/dbraw/zinc/52/28/54/775522854.db2.gz SMXAIDMKLLYCGU-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCCNC1=O ZINC001271005690 775523014 /nfs/dbraw/zinc/52/30/14/775523014.db2.gz SMXAIDMKLLYCGU-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271055105 775525756 /nfs/dbraw/zinc/52/57/56/775525756.db2.gz NSCTXZWXTAEGJI-GFCCVEGCSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271055105 775525766 /nfs/dbraw/zinc/52/57/66/775525766.db2.gz NSCTXZWXTAEGJI-GFCCVEGCSA-N 1 1 305.400 -1.141 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CNS(C)(=O)=O ZINC001271060109 775526069 /nfs/dbraw/zinc/52/60/69/775526069.db2.gz JQOZHIRHKCTJTO-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CNS(C)(=O)=O ZINC001271060109 775526074 /nfs/dbraw/zinc/52/60/74/775526074.db2.gz JQOZHIRHKCTJTO-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001271090798 775528946 /nfs/dbraw/zinc/52/89/46/775528946.db2.gz RPKKFMODIUVUKS-CZUORRHYSA-N 1 1 323.393 -1.097 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001271091489 775529813 /nfs/dbraw/zinc/52/98/13/775529813.db2.gz YMWXUGLQNKOHOO-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001271091489 775529820 /nfs/dbraw/zinc/52/98/20/775529820.db2.gz YMWXUGLQNKOHOO-DOMZBBRYSA-N 1 1 311.382 -1.240 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC001087592045 775532892 /nfs/dbraw/zinc/53/28/92/775532892.db2.gz YZGKGTIJSMILBR-OUAUKWLOSA-N 1 1 324.381 -1.022 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC001087592045 775532895 /nfs/dbraw/zinc/53/28/95/775532895.db2.gz YZGKGTIJSMILBR-OUAUKWLOSA-N 1 1 324.381 -1.022 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001087631680 775533126 /nfs/dbraw/zinc/53/31/26/775533126.db2.gz OMBRLQZCMHMEPK-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001087631680 775533132 /nfs/dbraw/zinc/53/31/32/775533132.db2.gz OMBRLQZCMHMEPK-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO COc1cncc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001271132457 775533906 /nfs/dbraw/zinc/53/39/06/775533906.db2.gz QXZIZLOYZPFLRB-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO COc1cncc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001271132457 775533916 /nfs/dbraw/zinc/53/39/16/775533916.db2.gz QXZIZLOYZPFLRB-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)C1=O ZINC001271132600 775534040 /nfs/dbraw/zinc/53/40/40/775534040.db2.gz RGHMOHZQFHFLFP-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCO ZINC001087630023 775534299 /nfs/dbraw/zinc/53/42/99/775534299.db2.gz QOJHMTDXVPWREE-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCCO ZINC001087606786 775534491 /nfs/dbraw/zinc/53/44/91/775534491.db2.gz RIVKFLNXIQOLIJ-GARJFASQSA-N 1 1 312.370 -1.064 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCn1ccc(=O)[nH]c1=O ZINC001271139037 775535467 /nfs/dbraw/zinc/53/54/67/775535467.db2.gz MGLYQVWINNXGNP-PHIMTYICSA-N 1 1 308.338 -1.120 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCn1ccc(=O)[nH]c1=O ZINC001271139037 775535474 /nfs/dbraw/zinc/53/54/74/775535474.db2.gz MGLYQVWINNXGNP-PHIMTYICSA-N 1 1 308.338 -1.120 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)n1 ZINC001271138015 775535967 /nfs/dbraw/zinc/53/59/67/775535967.db2.gz OMUCXEFWRGAJAR-HNNXBMFYSA-N 1 1 324.381 -1.039 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001271139507 775537515 /nfs/dbraw/zinc/53/75/15/775537515.db2.gz WZVBZLDKXDYJTP-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001271139506 775538048 /nfs/dbraw/zinc/53/80/48/775538048.db2.gz WZVBZLDKXDYJTP-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCCO ZINC001087764115 775538102 /nfs/dbraw/zinc/53/81/02/775538102.db2.gz BNDDTUSGCQHVNZ-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548328 775539590 /nfs/dbraw/zinc/53/95/90/775539590.db2.gz IURZNDTVVPBINP-QMMMGPOBSA-N 1 1 311.346 -1.258 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@@H]1COC(=O)N1 ZINC001126549184 775539728 /nfs/dbraw/zinc/53/97/28/775539728.db2.gz YUWUJRBFZHOUDM-QMMMGPOBSA-N 1 1 300.294 -1.438 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126548327 775539824 /nfs/dbraw/zinc/53/98/24/775539824.db2.gz IURZNDTVVPBINP-MRVPVSSYSA-N 1 1 311.346 -1.258 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1COC(=O)N1 ZINC001126548212 775539935 /nfs/dbraw/zinc/53/99/35/775539935.db2.gz GUPJZHVJWMMSDY-MRVPVSSYSA-N 1 1 310.314 -1.878 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@@H+]1CC(N)=O ZINC001087822029 775541117 /nfs/dbraw/zinc/54/11/17/775541117.db2.gz RWAWTYXSQNTQCU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(N)=O ZINC001087822029 775541123 /nfs/dbraw/zinc/54/11/23/775541123.db2.gz RWAWTYXSQNTQCU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)NC(=O)CCCC[NH+]1CCOCC1 ZINC001285755946 775541350 /nfs/dbraw/zinc/54/13/50/775541350.db2.gz UDUVMZZLLYACCL-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(=O)NC ZINC001087823001 775541419 /nfs/dbraw/zinc/54/14/19/775541419.db2.gz WUBPWEJNCUNFKH-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(=O)NC ZINC001087823001 775541428 /nfs/dbraw/zinc/54/14/28/775541428.db2.gz WUBPWEJNCUNFKH-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC001087822937 775541911 /nfs/dbraw/zinc/54/19/11/775541911.db2.gz SELAGZMWDYRFCR-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC001087822937 775541917 /nfs/dbraw/zinc/54/19/17/775541917.db2.gz SELAGZMWDYRFCR-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001271158891 775543238 /nfs/dbraw/zinc/54/32/38/775543238.db2.gz FYEKGBIOTGXRHR-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001271158891 775543244 /nfs/dbraw/zinc/54/32/44/775543244.db2.gz FYEKGBIOTGXRHR-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001271158894 775543877 /nfs/dbraw/zinc/54/38/77/775543877.db2.gz FYEKGBIOTGXRHR-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001271158894 775543881 /nfs/dbraw/zinc/54/38/81/775543881.db2.gz FYEKGBIOTGXRHR-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087879631 775544812 /nfs/dbraw/zinc/54/48/12/775544812.db2.gz XNYYJWWYZYYRDP-WOPDTQHZSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878569 775545187 /nfs/dbraw/zinc/54/51/87/775545187.db2.gz DGFACSYRGSKFNT-MXWKQRLJSA-N 1 1 307.358 -1.673 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087967778 775546512 /nfs/dbraw/zinc/54/65/12/775546512.db2.gz LKKNGGCMBNHXJJ-MXWKQRLJSA-N 1 1 307.358 -1.673 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)C1=O ZINC001087915332 775546677 /nfs/dbraw/zinc/54/66/77/775546677.db2.gz GXWDIACVVLTDCG-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087919983 775546788 /nfs/dbraw/zinc/54/67/88/775546788.db2.gz AANUBYMQYDXVBK-HZSPNIEDSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@@H]2C1 ZINC001087948391 775547997 /nfs/dbraw/zinc/54/79/97/775547997.db2.gz YRUSYQHZAYDLCK-OLZOCXBDSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001087915554 775548035 /nfs/dbraw/zinc/54/80/35/775548035.db2.gz QUKMROMIUPSATF-VWYCJHECSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001271168146 775548937 /nfs/dbraw/zinc/54/89/37/775548937.db2.gz VZZNSAARZMGMSB-AWEZNQCLSA-N 1 1 313.354 -1.929 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087980802 775548973 /nfs/dbraw/zinc/54/89/73/775548973.db2.gz UGWFMWQIWNJWSE-AGIUHOORSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 ZINC001087980306 775549270 /nfs/dbraw/zinc/54/92/70/775549270.db2.gz TYMJMZHMWCWPGZ-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985037 775549670 /nfs/dbraw/zinc/54/96/70/775549670.db2.gz ASXKULAJPDUWPT-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271175798 775550413 /nfs/dbraw/zinc/55/04/13/775550413.db2.gz MTYJGYVOHXHEQI-NWDGAFQWSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 ZINC001087995397 775550824 /nfs/dbraw/zinc/55/08/24/775550824.db2.gz ITCDNXXCNPGHGF-NEPJUHHUSA-N 1 1 324.381 -1.889 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)c1=O ZINC001088019653 775551581 /nfs/dbraw/zinc/55/15/81/775551581.db2.gz YRNZUKKWJQKGDN-OLZOCXBDSA-N 1 1 323.397 -1.256 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271177150 775551727 /nfs/dbraw/zinc/55/17/27/775551727.db2.gz UPUOKGVSPLGHDB-XHBSWPGZSA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271177425 775553050 /nfs/dbraw/zinc/55/30/50/775553050.db2.gz WDDMVBXRGYFRTH-IMSIIYSGSA-N 1 1 319.369 -1.051 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088065331 775553665 /nfs/dbraw/zinc/55/36/65/775553665.db2.gz QMIJVUZILNVWIA-OLZOCXBDSA-N 1 1 310.398 -1.809 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]2C1 ZINC001088022221 775553772 /nfs/dbraw/zinc/55/37/72/775553772.db2.gz ADFHOSORLYRMPG-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183835 775553822 /nfs/dbraw/zinc/55/38/22/775553822.db2.gz FYYCLZOHNMKOLM-AWEZNQCLSA-N 1 1 321.381 -1.261 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183835 775553826 /nfs/dbraw/zinc/55/38/26/775553826.db2.gz FYYCLZOHNMKOLM-AWEZNQCLSA-N 1 1 321.381 -1.261 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271184626 775554812 /nfs/dbraw/zinc/55/48/12/775554812.db2.gz MXZBQRSIUBVVKR-CQSZACIVSA-N 1 1 308.338 -1.372 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271184626 775554816 /nfs/dbraw/zinc/55/48/16/775554816.db2.gz MXZBQRSIUBVVKR-CQSZACIVSA-N 1 1 308.338 -1.372 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001271184849 775555076 /nfs/dbraw/zinc/55/50/76/775555076.db2.gz OLOINFXWJQAAKK-MFKMUULPSA-N 1 1 300.359 -1.743 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)CC1 ZINC001271184974 775555938 /nfs/dbraw/zinc/55/59/38/775555938.db2.gz PSLFMVHJXMNIFQ-ZDUSSCGKSA-N 1 1 315.370 -2.186 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271185385 775556100 /nfs/dbraw/zinc/55/61/00/775556100.db2.gz XVRCYMDNBOUSMR-NOZJJQNGSA-N 1 1 312.370 -1.931 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001271207489 775556673 /nfs/dbraw/zinc/55/66/73/775556673.db2.gz DDYFRFALXNTCLM-CQSZACIVSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001271207489 775556687 /nfs/dbraw/zinc/55/66/87/775556687.db2.gz DDYFRFALXNTCLM-CQSZACIVSA-N 1 1 312.370 -2.188 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCCC(N)=O)C1 ZINC001271211285 775556709 /nfs/dbraw/zinc/55/67/09/775556709.db2.gz WVTZMQDTKUKEJA-SMDDNHRTSA-N 1 1 301.387 -1.034 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001271201359 775556818 /nfs/dbraw/zinc/55/68/18/775556818.db2.gz QGEHLMYTBUUGNH-AWEZNQCLSA-N 1 1 313.354 -2.025 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001271223382 775557162 /nfs/dbraw/zinc/55/71/62/775557162.db2.gz QOHVLSPIYOHRRN-IHRRRGAJSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)CN1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271223170 775557280 /nfs/dbraw/zinc/55/72/80/775557280.db2.gz OBFPGYXLGVMUBZ-MCIONIFRSA-N 1 1 324.425 -1.062 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1=O ZINC001271220689 775557489 /nfs/dbraw/zinc/55/74/89/775557489.db2.gz PVYONGUGRMTRRR-ZDUSSCGKSA-N 1 1 314.342 -2.574 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001271218474 775558060 /nfs/dbraw/zinc/55/80/60/775558060.db2.gz AEUGYOCIPDYINV-RNCFNFMXSA-N 1 1 316.333 -1.503 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001271218474 775558066 /nfs/dbraw/zinc/55/80/66/775558066.db2.gz AEUGYOCIPDYINV-RNCFNFMXSA-N 1 1 316.333 -1.503 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001271223383 775558096 /nfs/dbraw/zinc/55/80/96/775558096.db2.gz QOHVLSPIYOHRRN-MCIONIFRSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001271223143 775559697 /nfs/dbraw/zinc/55/96/97/775559697.db2.gz NNGHOKDFMUSVTC-MELADBBJSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001271229853 775559763 /nfs/dbraw/zinc/55/97/63/775559763.db2.gz YAPCNEDIWVLMKS-QMTHXVAHSA-N 1 1 313.354 -2.025 20 0 DAADMO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001271241900 775560455 /nfs/dbraw/zinc/56/04/55/775560455.db2.gz HOPLWDWBHQVQML-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCS(=O)(=O)CC1)C2 ZINC001271241900 775560458 /nfs/dbraw/zinc/56/04/58/775560458.db2.gz HOPLWDWBHQVQML-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H](C1)O2 ZINC001271242485 775561228 /nfs/dbraw/zinc/56/12/28/775561228.db2.gz OAKZYWZDVQJGHK-TXEJJXNPSA-N 1 1 317.411 -1.742 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H](C1)O2 ZINC001271242485 775561236 /nfs/dbraw/zinc/56/12/36/775561236.db2.gz OAKZYWZDVQJGHK-TXEJJXNPSA-N 1 1 317.411 -1.742 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088071377 775561264 /nfs/dbraw/zinc/56/12/64/775561264.db2.gz FAMNAVRGGIQEJQ-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCS(N)(=O)=O)[C@@H]2C1 ZINC001271287157 775566509 /nfs/dbraw/zinc/56/65/09/775566509.db2.gz KCWLKIJICNAQED-NWDGAFQWSA-N 1 1 318.443 -1.241 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCS(N)(=O)=O)[C@@H]2C1 ZINC001271287157 775566513 /nfs/dbraw/zinc/56/65/13/775566513.db2.gz KCWLKIJICNAQED-NWDGAFQWSA-N 1 1 318.443 -1.241 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1=O ZINC001088074633 775568253 /nfs/dbraw/zinc/56/82/53/775568253.db2.gz WYQRYXYCTSURFB-WOPDTQHZSA-N 1 1 308.382 -1.270 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCNC1=O ZINC001271335004 775568795 /nfs/dbraw/zinc/56/87/95/775568795.db2.gz DWRLMYMQXMAJHV-NEPJUHHUSA-N 1 1 311.382 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]2C1 ZINC001088083774 775570428 /nfs/dbraw/zinc/57/04/28/775570428.db2.gz IRYPDVZERAEFCD-MNOVXSKESA-N 1 1 319.365 -1.090 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001271361512 775572791 /nfs/dbraw/zinc/57/27/91/775572791.db2.gz QPRYZCRFRUGYOJ-UHFFFAOYSA-N 1 1 312.326 -2.022 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088812 775573725 /nfs/dbraw/zinc/57/37/25/775573725.db2.gz NJQRBNUHRDGUSN-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088087031 775573972 /nfs/dbraw/zinc/57/39/72/775573972.db2.gz GDGWUJJPCOHHPR-NEPJUHHUSA-N 1 1 308.382 -1.126 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001088086514 775574254 /nfs/dbraw/zinc/57/42/54/775574254.db2.gz LVJPNSUWMYNIOU-GRYCIOLGSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001088089460 775574599 /nfs/dbraw/zinc/57/45/99/775574599.db2.gz QXJLBDUMKJNUIC-MXWKQRLJSA-N 1 1 308.382 -1.094 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088089349 775574889 /nfs/dbraw/zinc/57/48/89/775574889.db2.gz MKGHRJSZIYHOCO-FRRDWIJNSA-N 1 1 321.381 -1.490 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001088086708 775575098 /nfs/dbraw/zinc/57/50/98/775575098.db2.gz TVYXWBCFTCHLQU-VWYCJHECSA-N 1 1 309.370 -1.806 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001088088472 775575231 /nfs/dbraw/zinc/57/52/31/775575231.db2.gz VVSYYHKEZIBNKO-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1CCNC1=O)C2 ZINC001271407776 775575807 /nfs/dbraw/zinc/57/58/07/775575807.db2.gz LZNGKFWBIGPKJU-SRVKXCTJSA-N 1 1 323.397 -1.144 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001211891539 775575938 /nfs/dbraw/zinc/57/59/38/775575938.db2.gz NUUCFNNIVDTEHV-UPJWGTAASA-N 1 1 318.370 -1.774 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001211891539 775575941 /nfs/dbraw/zinc/57/59/41/775575941.db2.gz NUUCFNNIVDTEHV-UPJWGTAASA-N 1 1 318.370 -1.774 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104742 775576561 /nfs/dbraw/zinc/57/65/61/775576561.db2.gz XWZPQGMBNRNAEX-NOOOWODRSA-N 1 1 324.381 -1.715 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211894088 775577505 /nfs/dbraw/zinc/57/75/05/775577505.db2.gz CTTACQHFOJBRCL-YNEHKIRRSA-N 1 1 317.386 -1.713 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142561 775577747 /nfs/dbraw/zinc/57/77/47/775577747.db2.gz RELVVYZJXNSBKF-NEPJUHHUSA-N 1 1 324.381 -1.035 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088123586 775577851 /nfs/dbraw/zinc/57/78/51/775577851.db2.gz WTUJHJGWSJOUQE-WOPDTQHZSA-N 1 1 324.381 -1.253 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001088138337 775577928 /nfs/dbraw/zinc/57/79/28/775577928.db2.gz GDRQWYKHPCCNMG-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088162679 775579005 /nfs/dbraw/zinc/57/90/05/775579005.db2.gz DQRLOBJHQBUWKR-NEPJUHHUSA-N 1 1 324.381 -1.299 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273600 775579976 /nfs/dbraw/zinc/57/99/76/775579976.db2.gz RNBCSVFOQCVCFF-RYUDHWBXSA-N 1 1 310.398 -1.574 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273600 775579983 /nfs/dbraw/zinc/57/99/83/775579983.db2.gz RNBCSVFOQCVCFF-RYUDHWBXSA-N 1 1 310.398 -1.574 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088193017 775581912 /nfs/dbraw/zinc/58/19/12/775581912.db2.gz FVFDIYPPGNPTBZ-AGIUHOORSA-N 1 1 318.381 -1.053 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1=O ZINC001088194187 775582318 /nfs/dbraw/zinc/58/23/18/775582318.db2.gz QJORTRSJZCXBKB-NEPJUHHUSA-N 1 1 324.381 -1.347 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 ZINC001088202857 775582377 /nfs/dbraw/zinc/58/23/77/775582377.db2.gz YOMYUHNCORVXTI-KOLCDFICSA-N 1 1 319.365 -1.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 ZINC001088193325 775582620 /nfs/dbraw/zinc/58/26/20/775582620.db2.gz WSPFLIWOYYUABS-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088194451 775582942 /nfs/dbraw/zinc/58/29/42/775582942.db2.gz FTGKMIORDGEHSA-GRYCIOLGSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088193018 775583226 /nfs/dbraw/zinc/58/32/26/775583226.db2.gz FVFDIYPPGNPTBZ-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237253 775583992 /nfs/dbraw/zinc/58/39/92/775583992.db2.gz OEOPCIPLJDKNIC-LLVKDONJSA-N 1 1 312.370 -1.714 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](OCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001088237253 775583998 /nfs/dbraw/zinc/58/39/98/775583998.db2.gz OEOPCIPLJDKNIC-LLVKDONJSA-N 1 1 312.370 -1.714 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001271603718 775588723 /nfs/dbraw/zinc/58/87/23/775588723.db2.gz AAKBXPNUIMWKIK-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001271690661 775592347 /nfs/dbraw/zinc/59/23/47/775592347.db2.gz PWOVEXAKAXZQLY-SRVKXCTJSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001271690661 775592352 /nfs/dbraw/zinc/59/23/52/775592352.db2.gz PWOVEXAKAXZQLY-SRVKXCTJSA-N 1 1 323.397 -1.227 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)NC1=O ZINC001271689705 775592554 /nfs/dbraw/zinc/59/25/54/775592554.db2.gz HIBBBFLCKGIZBQ-NHYWBVRUSA-N 1 1 323.397 -1.177 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149137287 775593902 /nfs/dbraw/zinc/59/39/02/775593902.db2.gz NWJGHMMYFNMKEL-RYUDHWBXSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149137284 775594159 /nfs/dbraw/zinc/59/41/59/775594159.db2.gz NWJGHMMYFNMKEL-NWDGAFQWSA-N 1 1 314.386 -1.102 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001271844617 775598729 /nfs/dbraw/zinc/59/87/29/775598729.db2.gz BFORHQUPXHDRQR-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 ZINC001271861153 775600161 /nfs/dbraw/zinc/60/01/61/775600161.db2.gz SMECNHPJONEMPP-TUAOUCFPSA-N 1 1 313.398 -1.105 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCNC2=O)C[C@]2(CCCC(=O)N2)C1 ZINC001271946186 775604083 /nfs/dbraw/zinc/60/40/83/775604083.db2.gz PNOWULNMLSGURC-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCNC1=O ZINC001271945851 775604507 /nfs/dbraw/zinc/60/45/07/775604507.db2.gz MMBWTGOAUZEQAU-SRVKXCTJSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCNC1=O ZINC001271945851 775604515 /nfs/dbraw/zinc/60/45/15/775604515.db2.gz MMBWTGOAUZEQAU-SRVKXCTJSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCNC1=O)C2 ZINC001271945917 775604652 /nfs/dbraw/zinc/60/46/52/775604652.db2.gz NNSKOLXAAAIPSQ-WOPDTQHZSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCNC1=O)C2 ZINC001271945917 775604654 /nfs/dbraw/zinc/60/46/54/775604654.db2.gz NNSKOLXAAAIPSQ-WOPDTQHZSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CCNC2=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001271946184 775604661 /nfs/dbraw/zinc/60/46/61/775604661.db2.gz PNOWULNMLSGURC-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001271948693 775606222 /nfs/dbraw/zinc/60/62/22/775606222.db2.gz DESOEQLQDKCBAS-ZWNOBZJWSA-N 1 1 303.359 -2.188 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001271984874 775608649 /nfs/dbraw/zinc/60/86/49/775608649.db2.gz WYOODCTXZYMYTE-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001271984874 775608658 /nfs/dbraw/zinc/60/86/58/775608658.db2.gz WYOODCTXZYMYTE-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001271996948 775609864 /nfs/dbraw/zinc/60/98/64/775609864.db2.gz SCFBUZPFGIFQTL-HNNXBMFYSA-N 1 1 324.381 -1.109 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CCc1nnc[nH]1 ZINC001271988849 775609918 /nfs/dbraw/zinc/60/99/18/775609918.db2.gz CRGGSGIDJCOBOW-SNVBAGLBSA-N 1 1 322.369 -1.067 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CCc1nnc[nH]1 ZINC001271988849 775609925 /nfs/dbraw/zinc/60/99/25/775609925.db2.gz CRGGSGIDJCOBOW-SNVBAGLBSA-N 1 1 322.369 -1.067 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001272000839 775610146 /nfs/dbraw/zinc/61/01/46/775610146.db2.gz QRGAZDVLFCCUPM-DTORHVGOSA-N 1 1 312.301 -1.371 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001272000839 775610151 /nfs/dbraw/zinc/61/01/51/775610151.db2.gz QRGAZDVLFCCUPM-DTORHVGOSA-N 1 1 312.301 -1.371 20 0 DAADMO Cc1nnc(CC(=O)NCC[NH2+]Cc2nnc3n2CCOC3)o1 ZINC001126663343 775616946 /nfs/dbraw/zinc/61/69/46/775616946.db2.gz CWPXPASYXMQLGC-UHFFFAOYSA-N 1 1 321.341 -1.052 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C(N)=O)c1 ZINC001272059688 775620698 /nfs/dbraw/zinc/62/06/98/775620698.db2.gz OGROHUTVJRFJQI-WZRBSPASSA-N 1 1 321.381 -1.222 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C(N)=O)c1 ZINC001272059688 775620703 /nfs/dbraw/zinc/62/07/03/775620703.db2.gz OGROHUTVJRFJQI-WZRBSPASSA-N 1 1 321.381 -1.222 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C(N)=O)C2)C1 ZINC001272064531 775622763 /nfs/dbraw/zinc/62/27/63/775622763.db2.gz GEXDGJBGJHJUOF-QWRGUYRKSA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001272065272 775622993 /nfs/dbraw/zinc/62/29/93/775622993.db2.gz NVQYJMHYFZLFLB-IRCOFANPSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001272065272 775622994 /nfs/dbraw/zinc/62/29/94/775622994.db2.gz NVQYJMHYFZLFLB-IRCOFANPSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]12 ZINC001272061288 775623004 /nfs/dbraw/zinc/62/30/04/775623004.db2.gz ZICQZMDKMNWDQK-AXFHLTTASA-N 1 1 310.354 -1.382 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]12 ZINC001272061288 775623005 /nfs/dbraw/zinc/62/30/05/775623005.db2.gz ZICQZMDKMNWDQK-AXFHLTTASA-N 1 1 310.354 -1.382 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)C1 ZINC001272059363 775623030 /nfs/dbraw/zinc/62/30/30/775623030.db2.gz KIBDBVWFLYIBJH-XJKCOSOUSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NCC3COC3)C2)C1 ZINC001272059363 775623032 /nfs/dbraw/zinc/62/30/32/775623032.db2.gz KIBDBVWFLYIBJH-XJKCOSOUSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@@H]4C(N)=O)CC3)[C@H]2C1 ZINC001272065967 775624222 /nfs/dbraw/zinc/62/42/22/775624222.db2.gz WKBPFEWHASEJCD-USZNOCQGSA-N 1 1 320.393 -1.223 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[C@@H]4C(N)=O)CC3)[C@@H]2C1 ZINC001272065965 775624305 /nfs/dbraw/zinc/62/43/05/775624305.db2.gz WKBPFEWHASEJCD-NNYUYHANSA-N 1 1 320.393 -1.223 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001213213073 775627237 /nfs/dbraw/zinc/62/72/37/775627237.db2.gz DNYVTGBVFGGQEL-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001272085686 775629224 /nfs/dbraw/zinc/62/92/24/775629224.db2.gz UPMGMTVIRNOMRJ-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001272085686 775629226 /nfs/dbraw/zinc/62/92/26/775629226.db2.gz UPMGMTVIRNOMRJ-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711248 775629239 /nfs/dbraw/zinc/62/92/39/775629239.db2.gz SPRQSWGELPZRTQ-GMTAPVOTSA-N 1 1 302.375 -1.654 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001272086999 775629245 /nfs/dbraw/zinc/62/92/45/775629245.db2.gz JUHLUGCKVBSKFT-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CC(N)=O ZINC001212071353 775633526 /nfs/dbraw/zinc/63/35/26/775633526.db2.gz MWBBKDFTLUKOHY-VXGBXAGGSA-N 1 1 309.370 -1.347 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212043658 775634601 /nfs/dbraw/zinc/63/46/01/775634601.db2.gz PODLTXMALZAFFT-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CC(N)=O ZINC001212071657 775636495 /nfs/dbraw/zinc/63/64/95/775636495.db2.gz ZMVXBWQUUHEXKM-VXGBXAGGSA-N 1 1 309.370 -1.347 20 0 DAADMO Cc1ncc(C[NH2+]CCN(CCO)C(=O)CS(C)(=O)=O)o1 ZINC001272124013 775637375 /nfs/dbraw/zinc/63/73/75/775637375.db2.gz ADOXWPUNIFKTCH-UHFFFAOYSA-N 1 1 319.383 -1.062 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)c2ccnn2C)n1 ZINC001272124761 775637951 /nfs/dbraw/zinc/63/79/51/775637951.db2.gz MLHRJVQDGSRYKO-UHFFFAOYSA-N 1 1 307.358 -1.227 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001272131570 775639283 /nfs/dbraw/zinc/63/92/83/775639283.db2.gz HUFQLSKCHJHQJU-JTQLQIEISA-N 1 1 312.370 -1.307 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001272131570 775639286 /nfs/dbraw/zinc/63/92/86/775639286.db2.gz HUFQLSKCHJHQJU-JTQLQIEISA-N 1 1 312.370 -1.307 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1 ZINC001272129357 775639305 /nfs/dbraw/zinc/63/93/05/775639305.db2.gz FYWMDYPURCFOAV-SNVBAGLBSA-N 1 1 310.358 -1.996 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164522 775642639 /nfs/dbraw/zinc/64/26/39/775642639.db2.gz CLMVXCVRODFKES-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164522 775642640 /nfs/dbraw/zinc/64/26/40/775642640.db2.gz CLMVXCVRODFKES-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@@H+]1CC(N)=O ZINC001088676269 775646554 /nfs/dbraw/zinc/64/65/54/775646554.db2.gz YVHDNUKPOPONBC-UTLUCORTSA-N 1 1 322.369 -1.390 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@H+]1CC(N)=O ZINC001088676269 775646560 /nfs/dbraw/zinc/64/65/60/775646560.db2.gz YVHDNUKPOPONBC-UTLUCORTSA-N 1 1 322.369 -1.390 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)C1 ZINC001272213328 775652030 /nfs/dbraw/zinc/65/20/30/775652030.db2.gz JKAVLKOITUFVLD-GHMZBOCLSA-N 1 1 312.374 -1.454 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272224942 775654167 /nfs/dbraw/zinc/65/41/67/775654167.db2.gz JZYWOGZBIJGXSO-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO CN1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(N)=O ZINC001272224942 775654171 /nfs/dbraw/zinc/65/41/71/775654171.db2.gz JZYWOGZBIJGXSO-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)nn1 ZINC001272225060 775654939 /nfs/dbraw/zinc/65/49/39/775654939.db2.gz KYRUQLHNHQIPBC-LLVKDONJSA-N 1 1 310.358 -2.138 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088796136 775659490 /nfs/dbraw/zinc/65/94/90/775659490.db2.gz XPNHDPWYBIOING-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088796136 775659495 /nfs/dbraw/zinc/65/94/95/775659495.db2.gz XPNHDPWYBIOING-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)n[nH]1 ZINC001126912871 775662547 /nfs/dbraw/zinc/66/25/47/775662547.db2.gz ZAWZXADJDKAZNX-LLVKDONJSA-N 1 1 324.385 -1.343 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)n[nH]1 ZINC001126912316 775662924 /nfs/dbraw/zinc/66/29/24/775662924.db2.gz JAHFACUJIPQXFM-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088828778 775663215 /nfs/dbraw/zinc/66/32/15/775663215.db2.gz USYUVXGQZMKHOH-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088828778 775663230 /nfs/dbraw/zinc/66/32/30/775663230.db2.gz USYUVXGQZMKHOH-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088828354 775663610 /nfs/dbraw/zinc/66/36/10/775663610.db2.gz HZZCTKNYDQHVGA-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088828354 775663617 /nfs/dbraw/zinc/66/36/17/775663617.db2.gz HZZCTKNYDQHVGA-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC001088831648 775664461 /nfs/dbraw/zinc/66/44/61/775664461.db2.gz XJIYSZOWZVXZGI-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)Nc2ccon2)n[nH]1 ZINC001126926173 775664708 /nfs/dbraw/zinc/66/47/08/775664708.db2.gz IHNPADOOULLLSB-UHFFFAOYSA-N 1 1 307.314 -1.012 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)n[nH]1 ZINC001126921084 775665152 /nfs/dbraw/zinc/66/51/52/775665152.db2.gz HOVAUOHFNBNMKL-SNVBAGLBSA-N 1 1 315.399 -1.204 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101124061 775666264 /nfs/dbraw/zinc/66/62/64/775666264.db2.gz JGGYSRXKKJGMIJ-RULNRJAQSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC001105685851 775666870 /nfs/dbraw/zinc/66/68/70/775666870.db2.gz JDMVDTOMEMAJLN-SNVBAGLBSA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@H](OC)C1 ZINC001212131382 775667906 /nfs/dbraw/zinc/66/79/06/775667906.db2.gz NIQXSHURGYLESJ-FVCCEPFGSA-N 1 1 302.371 -1.012 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001212141475 775673091 /nfs/dbraw/zinc/67/30/91/775673091.db2.gz VLOIVHQAGCHKGJ-GHMZBOCLSA-N 1 1 313.358 -1.164 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001127081919 775675531 /nfs/dbraw/zinc/67/55/31/775675531.db2.gz GBFSPVKOTLISQB-QMMMGPOBSA-N 1 1 319.391 -2.084 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CCS(=O)(=O)NC)n1 ZINC001127092309 775675694 /nfs/dbraw/zinc/67/56/94/775675694.db2.gz CDBAMHFBEOBKJS-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001127082466 775675901 /nfs/dbraw/zinc/67/59/01/775675901.db2.gz QZQNKSFIOOSPCN-UHFFFAOYSA-N 1 1 321.428 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@H](OC)C1 ZINC001212149631 775680531 /nfs/dbraw/zinc/68/05/31/775680531.db2.gz CMTPFUOMFFWCMS-JHJVBQTASA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cncnc1 ZINC001212156403 775686882 /nfs/dbraw/zinc/68/68/82/775686882.db2.gz KLCHQSZIQQXAFB-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cncnc1 ZINC001212156403 775686887 /nfs/dbraw/zinc/68/68/87/775686887.db2.gz KLCHQSZIQQXAFB-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105754809 775686949 /nfs/dbraw/zinc/68/69/49/775686949.db2.gz HXRRFYWHGIKOMP-UWVGGRQHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105754811 775687440 /nfs/dbraw/zinc/68/74/40/775687440.db2.gz HXRRFYWHGIKOMP-ZJUUUORDSA-N 1 1 320.357 -1.498 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)CN2CN=NC2=O)nc(C)[nH+]1 ZINC001105794531 775693082 /nfs/dbraw/zinc/69/30/82/775693082.db2.gz GZEGTBMIHYHHIZ-JTQLQIEISA-N 1 1 321.341 -1.020 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170320 775703483 /nfs/dbraw/zinc/70/34/83/775703483.db2.gz SGNNTYYKLJVAIQ-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170349 775704177 /nfs/dbraw/zinc/70/41/77/775704177.db2.gz UJBVDTQBPKYIMN-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105845240 775704590 /nfs/dbraw/zinc/70/45/90/775704590.db2.gz COWRNKMUOFQENI-RKDXNWHRSA-N 1 1 308.342 -1.098 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105869245 775705350 /nfs/dbraw/zinc/70/53/50/775705350.db2.gz OCKHHJKPCAKFHC-SNVBAGLBSA-N 1 1 322.373 -1.252 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC001272273845 775716625 /nfs/dbraw/zinc/71/66/25/775716625.db2.gz ZDSZTYHVGWTRCN-XDQVBPFNSA-N 1 1 324.425 -1.328 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC001120332035 775716839 /nfs/dbraw/zinc/71/68/39/775716839.db2.gz AZYCBBHFGQQDEW-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC001120332035 775716842 /nfs/dbraw/zinc/71/68/42/775716842.db2.gz AZYCBBHFGQQDEW-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)c2nnn(C)n2)nc(C)[nH+]1 ZINC001106053646 775730885 /nfs/dbraw/zinc/73/08/85/775730885.db2.gz AFKHQQXLGVOEHQ-VIFPVBQESA-N 1 1 306.330 -1.180 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@@H+]1CC(N)=O ZINC001088870745 775732504 /nfs/dbraw/zinc/73/25/04/775732504.db2.gz DELCFRRPDRUSJG-VWYCJHECSA-N 1 1 321.385 -1.310 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@H+]1CC(N)=O ZINC001088870745 775732514 /nfs/dbraw/zinc/73/25/14/775732514.db2.gz DELCFRRPDRUSJG-VWYCJHECSA-N 1 1 321.385 -1.310 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@H+]1CCO ZINC001088895641 775734188 /nfs/dbraw/zinc/73/41/88/775734188.db2.gz OAVJYDVBDGTGNJ-BDAKNGLRSA-N 1 1 312.326 -2.022 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098766882 775735396 /nfs/dbraw/zinc/73/53/96/775735396.db2.gz HRMAYKGALOVJNK-NEPJUHHUSA-N 1 1 322.369 -1.588 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(=O)N(C)C ZINC001089028519 775737805 /nfs/dbraw/zinc/73/78/05/775737805.db2.gz AGYGPNJRKHTJEJ-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(=O)N(C)C ZINC001089028519 775737809 /nfs/dbraw/zinc/73/78/09/775737809.db2.gz AGYGPNJRKHTJEJ-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC001088961750 775738267 /nfs/dbraw/zinc/73/82/67/775738267.db2.gz VKXAKCTWDXMSTI-AXFHLTTASA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC001088977339 775738865 /nfs/dbraw/zinc/73/88/65/775738865.db2.gz UKGRGMDZQDSUTM-MXWKQRLJSA-N 1 1 312.370 -1.160 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H]1C ZINC001089082759 775739706 /nfs/dbraw/zinc/73/97/06/775739706.db2.gz HNHWODKSVLHPGY-UTLUCORTSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H]1C ZINC001089082759 775739712 /nfs/dbraw/zinc/73/97/12/775739712.db2.gz HNHWODKSVLHPGY-UTLUCORTSA-N 1 1 310.354 -1.636 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089059371 775740337 /nfs/dbraw/zinc/74/03/37/775740337.db2.gz JRTBPSCJARWHIZ-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045877 775740528 /nfs/dbraw/zinc/74/05/28/775740528.db2.gz LHCSPQSYMUVWDI-UTLUCORTSA-N 1 1 318.399 -1.997 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045877 775740533 /nfs/dbraw/zinc/74/05/33/775740533.db2.gz LHCSPQSYMUVWDI-UTLUCORTSA-N 1 1 318.399 -1.997 20 0 DAADMO COCCn1ncc(C(=O)NCC[NH2+]Cc2nnnn2C)c1C ZINC001127216994 775741008 /nfs/dbraw/zinc/74/10/08/775741008.db2.gz LLPOFJQOGLLIPO-UHFFFAOYSA-N 1 1 322.373 -1.119 20 0 DAADMO CCn1cc(C(=O)N(CCO)CC[NH2+]Cc2nncn2C)nn1 ZINC001272285003 775741122 /nfs/dbraw/zinc/74/11/22/775741122.db2.gz XWCLDCWPFVRASO-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)CC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001089140763 775741984 /nfs/dbraw/zinc/74/19/84/775741984.db2.gz GTHZZXMTOLNDAW-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272321489 775749542 /nfs/dbraw/zinc/74/95/42/775749542.db2.gz FRZCVXZRQZWZPO-SNVBAGLBSA-N 1 1 324.337 -1.362 20 0 DAADMO C[N@H+](C[C@@H]1CCCCN1C(=O)C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001089221313 775750910 /nfs/dbraw/zinc/75/09/10/775750910.db2.gz DFICPLQLIFGQJY-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001089221313 775750917 /nfs/dbraw/zinc/75/09/17/775750917.db2.gz DFICPLQLIFGQJY-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(=O)C(C)(C)C)c1nnnn1C ZINC001272381040 775754806 /nfs/dbraw/zinc/75/48/06/775754806.db2.gz PAGILMNHHNEHPS-IUCAKERBSA-N 1 1 312.374 -1.047 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O)s1 ZINC001272382032 775755559 /nfs/dbraw/zinc/75/55/59/775755559.db2.gz YWTGHRMANMQXDD-SSDOTTSWSA-N 1 1 301.372 -1.457 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F)[nH]1 ZINC001272460548 775762266 /nfs/dbraw/zinc/76/22/66/775762266.db2.gz CPKIBNDXMXEFSO-ZETCQYMHSA-N 1 1 320.300 -1.939 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC2=O)oc1C ZINC001272496153 775764939 /nfs/dbraw/zinc/76/49/39/775764939.db2.gz MAAYDHMXCHPPNI-QWRGUYRKSA-N 1 1 310.354 -1.006 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)oc1C ZINC001272496152 775765848 /nfs/dbraw/zinc/76/58/48/775765848.db2.gz MAAYDHMXCHPPNI-MNOVXSKESA-N 1 1 310.354 -1.006 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC2=O)nn1 ZINC001272520015 775768191 /nfs/dbraw/zinc/76/81/91/775768191.db2.gz FKYDVISYIJQLKU-BXUZGUMPSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC2=O)nn1 ZINC001272520019 775768697 /nfs/dbraw/zinc/76/86/97/775768697.db2.gz FKYDVISYIJQLKU-FZMZJTMJSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(=O)NC)CC2)nn1 ZINC001272543750 775771542 /nfs/dbraw/zinc/77/15/42/775771542.db2.gz ANKMEJSEGOUPET-LLVKDONJSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)C1CC(=O)NC(=O)C1 ZINC001272545538 775773816 /nfs/dbraw/zinc/77/38/16/775773816.db2.gz MGZHZQJTPRBJPI-JTQLQIEISA-N 1 1 321.337 -1.904 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001272576263 775779494 /nfs/dbraw/zinc/77/94/94/775779494.db2.gz XGMLQFKCGMUSGQ-SECBINFHSA-N 1 1 324.341 -2.469 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098780373 775780136 /nfs/dbraw/zinc/78/01/36/775780136.db2.gz UNLFMRPZEJINSO-LBPRGKRZSA-N 1 1 320.357 -1.575 20 0 DAADMO CN(C)c1cnc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001127278781 775780280 /nfs/dbraw/zinc/78/02/80/775780280.db2.gz BPHCEZSBLWSLQS-UHFFFAOYSA-N 1 1 305.346 -1.414 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583819 775784179 /nfs/dbraw/zinc/78/41/79/775784179.db2.gz KPTXOPQRAKTTTJ-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272626507 775795094 /nfs/dbraw/zinc/79/50/94/775795094.db2.gz ZJSNBKWYSJNJQD-USWWRNFRSA-N 1 1 321.381 -1.121 20 0 DAADMO C[C@@H]1c2ncc(CC(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272626507 775795106 /nfs/dbraw/zinc/79/51/06/775795106.db2.gz ZJSNBKWYSJNJQD-USWWRNFRSA-N 1 1 321.381 -1.121 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123626961 775800440 /nfs/dbraw/zinc/80/04/40/775800440.db2.gz OEFMAFKUYCLPEX-MNOVXSKESA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ncnn1)c1nnnn1C1CC1 ZINC001127438393 775803428 /nfs/dbraw/zinc/80/34/28/775803428.db2.gz QKVKEZJUJKIATA-QMMMGPOBSA-N 1 1 306.334 -1.539 20 0 DAADMO NC(=O)[C@@H]([NH2+]CCNC(=O)Cn1ncnn1)c1ccc(F)cc1 ZINC001127438048 775804017 /nfs/dbraw/zinc/80/40/17/775804017.db2.gz KSPROJMWLLWPJN-LBPRGKRZSA-N 1 1 321.316 -1.255 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1nnnn1C ZINC001127558166 775812468 /nfs/dbraw/zinc/81/24/68/775812468.db2.gz GASDSTSMKTZHSR-OPRDCNLKSA-N 1 1 309.374 -1.108 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)[N@H+](CC(N)=O)C1 ZINC001089691290 775814722 /nfs/dbraw/zinc/81/47/22/775814722.db2.gz ZPEKTUIFRFTZTA-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)[N@@H+](CC(N)=O)C1 ZINC001089691290 775814730 /nfs/dbraw/zinc/81/47/30/775814730.db2.gz ZPEKTUIFRFTZTA-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212308518 775815460 /nfs/dbraw/zinc/81/54/60/775815460.db2.gz CIURKRXGRYLZQN-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001212281807 775815603 /nfs/dbraw/zinc/81/56/03/775815603.db2.gz BQMIFNKMKMSQFF-IJLUTSLNSA-N 1 1 312.374 -1.351 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089771548 775816546 /nfs/dbraw/zinc/81/65/46/775816546.db2.gz ZZISNTDDQNRGIT-USZNOCQGSA-N 1 1 319.369 -1.673 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC(N)=O)C1 ZINC001089785970 775816571 /nfs/dbraw/zinc/81/65/71/775816571.db2.gz FISKSCQNAXRSKA-BJDJZHNGSA-N 1 1 308.382 -1.223 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC001212282357 775816636 /nfs/dbraw/zinc/81/66/36/775816636.db2.gz QGRSDJAREOUAPN-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212308519 775816740 /nfs/dbraw/zinc/81/67/40/775816740.db2.gz CIURKRXGRYLZQN-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1nnnn1C ZINC001127652889 775819719 /nfs/dbraw/zinc/81/97/19/775819719.db2.gz GTMCFKYESXMAEE-SSDOTTSWSA-N 1 1 322.333 -2.633 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)nn1 ZINC001127653027 775820515 /nfs/dbraw/zinc/82/05/15/775820515.db2.gz JKGSRQDOJAQMCE-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)n1 ZINC001089852372 775821522 /nfs/dbraw/zinc/82/15/22/775821522.db2.gz DSBAFYGNCMBCCJ-SQNXGDPESA-N 1 1 318.381 -1.031 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653329 775822077 /nfs/dbraw/zinc/82/20/77/775822077.db2.gz RUNUMJXNDUFYAN-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124367644 775824119 /nfs/dbraw/zinc/82/41/19/775824119.db2.gz ZZBZBXYYJCAWNA-UHFFFAOYSA-N 1 1 304.328 -1.637 20 0 DAADMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853618 775824718 /nfs/dbraw/zinc/82/47/18/775824718.db2.gz WNDKEPFRVSMNNL-USZNOCQGSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853618 775824723 /nfs/dbraw/zinc/82/47/23/775824723.db2.gz WNDKEPFRVSMNNL-USZNOCQGSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860548 775826472 /nfs/dbraw/zinc/82/64/72/775826472.db2.gz XSODIQNAUMQHBZ-ZDCRXTMVSA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860548 775826482 /nfs/dbraw/zinc/82/64/82/775826482.db2.gz XSODIQNAUMQHBZ-ZDCRXTMVSA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089860544 775826686 /nfs/dbraw/zinc/82/66/86/775826686.db2.gz XSODIQNAUMQHBZ-NAKRPEOUSA-N 1 1 319.369 -1.636 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089860544 775826693 /nfs/dbraw/zinc/82/66/93/775826693.db2.gz XSODIQNAUMQHBZ-NAKRPEOUSA-N 1 1 319.369 -1.636 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001124879324 775831743 /nfs/dbraw/zinc/83/17/43/775831743.db2.gz RJKDQFOIBDVEAA-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124879332 775834147 /nfs/dbraw/zinc/83/41/47/775834147.db2.gz RPGSCZDDWGFMRX-STQMWFEESA-N 1 1 303.403 -1.190 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)CC(N)=O)o1 ZINC001125084633 775837327 /nfs/dbraw/zinc/83/73/27/775837327.db2.gz BPIMNAGLYPDJRW-UHFFFAOYSA-N 1 1 303.340 -1.236 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001125223288 775841566 /nfs/dbraw/zinc/84/15/66/775841566.db2.gz ZPNYNHFTWFIWIX-NSHDSACASA-N 1 1 309.374 -1.456 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001125223288 775841573 /nfs/dbraw/zinc/84/15/73/775841573.db2.gz ZPNYNHFTWFIWIX-NSHDSACASA-N 1 1 309.374 -1.456 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107117216 775845581 /nfs/dbraw/zinc/84/55/81/775845581.db2.gz PEWADBNLZVIZID-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107116850 775845956 /nfs/dbraw/zinc/84/59/56/775845956.db2.gz HXWOTKVPOLAVMS-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO NC(=O)NCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107123067 775846758 /nfs/dbraw/zinc/84/67/58/775846758.db2.gz TXRRMWDISCDNQV-UHFFFAOYSA-N 1 1 311.346 -2.198 20 0 DAADMO O=C(Cn1cnnn1)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107122378 775847235 /nfs/dbraw/zinc/84/72/35/775847235.db2.gz AGDVLHVWCHMTCF-UHFFFAOYSA-N 1 1 321.345 -2.180 20 0 DAADMO CC(=O)N(C)CC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107131829 775847456 /nfs/dbraw/zinc/84/74/56/775847456.db2.gz APHPWYJXTURSRJ-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO CCC(=O)NCC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107145999 775849691 /nfs/dbraw/zinc/84/96/91/775849691.db2.gz RDXBADBSPZQYOC-JTQLQIEISA-N 1 1 324.385 -1.342 20 0 DAADMO CCNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107162165 775850485 /nfs/dbraw/zinc/85/04/85/775850485.db2.gz HROVCQZRPZSZDK-SNVBAGLBSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107164270 775850962 /nfs/dbraw/zinc/85/09/62/775850962.db2.gz YOSLGSQNJOPFEY-VIFPVBQESA-N 1 1 310.358 -1.732 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](CCCOC)C2)nn1 ZINC001107160979 775851483 /nfs/dbraw/zinc/85/14/83/775851483.db2.gz SDZUWKFHPSOJLT-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO O=C(Cn1ncnn1)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107173011 775852186 /nfs/dbraw/zinc/85/21/86/775852186.db2.gz XDGUCOINYCBSND-UHFFFAOYSA-N 1 1 321.345 -2.180 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)COC)nn2)C1 ZINC001107173398 775853250 /nfs/dbraw/zinc/85/32/50/775853250.db2.gz AUUZIXXKZYZOHZ-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238705875 775854172 /nfs/dbraw/zinc/85/41/72/775854172.db2.gz DQXWYZNRMNPUJL-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 ZINC001107191460 775854570 /nfs/dbraw/zinc/85/45/70/775854570.db2.gz WVLHEGIVHFCMHX-VHSXEESVSA-N 1 1 324.385 -1.357 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 ZINC001107202377 775855504 /nfs/dbraw/zinc/85/55/04/775855504.db2.gz FTMKQGWSORYMLO-SECBINFHSA-N 1 1 322.369 -1.603 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC(=O)NC3=O)nn2)C1 ZINC001107242624 775858369 /nfs/dbraw/zinc/85/83/69/775858369.db2.gz XAWLMMBWMAVLDB-SECBINFHSA-N 1 1 320.353 -1.176 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CCC3=O)nn2)C1 ZINC001107233687 775858552 /nfs/dbraw/zinc/85/85/52/775858552.db2.gz ORASPSQFZVNEDM-UHFFFAOYSA-N 1 1 320.353 -1.080 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 ZINC001107234877 775859331 /nfs/dbraw/zinc/85/93/31/775859331.db2.gz UWTNJHOUPNXHJI-SNVBAGLBSA-N 1 1 320.357 -1.577 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107428894 775861241 /nfs/dbraw/zinc/86/12/41/775861241.db2.gz KKTNHRVUSSFMCE-QMTHXVAHSA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001127777768 775861909 /nfs/dbraw/zinc/86/19/09/775861909.db2.gz BOOKIECLSDCQCR-QWHCGFSZSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001127777770 775862052 /nfs/dbraw/zinc/86/20/52/775862052.db2.gz BOOKIECLSDCQCR-STQMWFEESA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107439476 775862199 /nfs/dbraw/zinc/86/21/99/775862199.db2.gz AJPMTTHTGAZBSR-FIXISWKDSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780219 775862989 /nfs/dbraw/zinc/86/29/89/775862989.db2.gz XDYHPNXFDUBYFY-YPMHNXCESA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780219 775862999 /nfs/dbraw/zinc/86/29/99/775862999.db2.gz XDYHPNXFDUBYFY-YPMHNXCESA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779746 775863178 /nfs/dbraw/zinc/86/31/78/775863178.db2.gz RMBUAOKPQVGHQR-RYUDHWBXSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779973 775863556 /nfs/dbraw/zinc/86/35/56/775863556.db2.gz UOLIYJREQDZQSL-QWRGUYRKSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779730 775863951 /nfs/dbraw/zinc/86/39/51/775863951.db2.gz RGAZEEFHYDPYEA-GHMZBOCLSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCO)CC3)c1=O ZINC001107457638 775864377 /nfs/dbraw/zinc/86/43/77/775864377.db2.gz GUUYHNFYJOGBQP-IUODEOHRSA-N 1 1 323.397 -1.065 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)C(N)=O)CCC[C@@H]23)nc1=O ZINC001107530354 775866259 /nfs/dbraw/zinc/86/62/59/775866259.db2.gz NBZQJGQRGFTAEN-YMTOWFKASA-N 1 1 322.369 -1.546 20 0 DAADMO C[C@H](CNc1ccc2nnnn2n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001107666784 775868646 /nfs/dbraw/zinc/86/86/46/775868646.db2.gz ICRNMFWWZJZZPC-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNc1ccc2nnnn2n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001107666784 775868660 /nfs/dbraw/zinc/86/86/60/775868660.db2.gz ICRNMFWWZJZZPC-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@]1(CNC(=O)CNC(N)=O)C[N@H+](CCn2cccn2)CCO1 ZINC001107724059 775870386 /nfs/dbraw/zinc/87/03/86/775870386.db2.gz IXYJWLGBUHICRF-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@@]1(CNC(=O)CNC(N)=O)C[N@@H+](CCn2cccn2)CCO1 ZINC001107724059 775870391 /nfs/dbraw/zinc/87/03/91/775870391.db2.gz IXYJWLGBUHICRF-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727899 775871426 /nfs/dbraw/zinc/87/14/26/775871426.db2.gz LLWCFSAGZCOUDX-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727899 775871431 /nfs/dbraw/zinc/87/14/31/775871431.db2.gz LLWCFSAGZCOUDX-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724496 775872388 /nfs/dbraw/zinc/87/23/88/775872388.db2.gz RJBFYLFNJYURMX-MFKMUULPSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724496 775872397 /nfs/dbraw/zinc/87/23/97/775872397.db2.gz RJBFYLFNJYURMX-MFKMUULPSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727660 775872541 /nfs/dbraw/zinc/87/25/41/775872541.db2.gz DVDXWVUNKXWXSC-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727660 775872544 /nfs/dbraw/zinc/87/25/44/775872544.db2.gz DVDXWVUNKXWXSC-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839785 775879904 /nfs/dbraw/zinc/87/99/04/775879904.db2.gz UVJWFQREJOPIAV-RISCZKNCSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839785 775879909 /nfs/dbraw/zinc/87/99/09/775879909.db2.gz UVJWFQREJOPIAV-RISCZKNCSA-N 1 1 314.386 -1.991 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107882903 775881368 /nfs/dbraw/zinc/88/13/68/775881368.db2.gz FVFZEQUMHJZDSL-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107882903 775881374 /nfs/dbraw/zinc/88/13/74/775881374.db2.gz FVFZEQUMHJZDSL-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107883258 775881414 /nfs/dbraw/zinc/88/14/14/775881414.db2.gz OZHHIFFUJBZYIF-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107883258 775881422 /nfs/dbraw/zinc/88/14/22/775881422.db2.gz OZHHIFFUJBZYIF-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879256 775881728 /nfs/dbraw/zinc/88/17/28/775881728.db2.gz VKRHGIUUESNQKM-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879256 775881736 /nfs/dbraw/zinc/88/17/36/775881736.db2.gz VKRHGIUUESNQKM-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887085 775883526 /nfs/dbraw/zinc/88/35/26/775883526.db2.gz RZZSUEVDJWVJFJ-GWCFXTLKSA-N 1 1 313.358 -1.428 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887085 775883533 /nfs/dbraw/zinc/88/35/33/775883533.db2.gz RZZSUEVDJWVJFJ-GWCFXTLKSA-N 1 1 313.358 -1.428 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127918049 775885308 /nfs/dbraw/zinc/88/53/08/775885308.db2.gz JXRHHFFEJXVZCO-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107920186 775886993 /nfs/dbraw/zinc/88/69/93/775886993.db2.gz NLIRZHZOBCQEFB-FZMZJTMJSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107920186 775887001 /nfs/dbraw/zinc/88/70/01/775887001.db2.gz NLIRZHZOBCQEFB-FZMZJTMJSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)NC(N)=O ZINC001107941709 775888279 /nfs/dbraw/zinc/88/82/79/775888279.db2.gz LNQRIQFZEYWUGR-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)NC(N)=O ZINC001107941709 775888290 /nfs/dbraw/zinc/88/82/90/775888290.db2.gz LNQRIQFZEYWUGR-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CNC(=O)c1ccoc1)c1nnnn1C ZINC001127952782 775889976 /nfs/dbraw/zinc/88/99/76/775889976.db2.gz ZTMOJYUPPKRMFJ-VIFPVBQESA-N 1 1 321.341 -1.000 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946211 775890499 /nfs/dbraw/zinc/89/04/99/775890499.db2.gz RIPCNEMFGPMVHR-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946211 775890505 /nfs/dbraw/zinc/89/05/05/775890505.db2.gz RIPCNEMFGPMVHR-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127967946 775890615 /nfs/dbraw/zinc/89/06/15/775890615.db2.gz SFDVHNUNBYRZPO-JTQLQIEISA-N 1 1 312.374 -1.345 20 0 DAADMO Cc1occc1C(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001127957070 775890747 /nfs/dbraw/zinc/89/07/47/775890747.db2.gz XTPGBYMICJJXMV-UHFFFAOYSA-N 1 1 321.341 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127961479 775891369 /nfs/dbraw/zinc/89/13/69/775891369.db2.gz GIIWFMIHSRTVHN-UHFFFAOYSA-N 1 1 307.314 -1.561 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947433 775891389 /nfs/dbraw/zinc/89/13/89/775891389.db2.gz JSMMOQDFAKLVDM-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947433 775891395 /nfs/dbraw/zinc/89/13/95/775891395.db2.gz JSMMOQDFAKLVDM-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107964054 775894402 /nfs/dbraw/zinc/89/44/02/775894402.db2.gz BRLCYNMNKHJTBR-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107964054 775894410 /nfs/dbraw/zinc/89/44/10/775894410.db2.gz BRLCYNMNKHJTBR-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H](O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 ZINC001127985706 775896037 /nfs/dbraw/zinc/89/60/37/775896037.db2.gz YTAGVPIYZBWGJR-ZJUUUORDSA-N 1 1 324.385 -1.555 20 0 DAADMO C[C@@H](O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 ZINC001127985703 775896752 /nfs/dbraw/zinc/89/67/52/775896752.db2.gz YTAGVPIYZBWGJR-NXEZZACHSA-N 1 1 324.385 -1.555 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1OC ZINC001212375566 775896768 /nfs/dbraw/zinc/89/67/68/775896768.db2.gz ISLFIXXIFXOIBM-GMTAPVOTSA-N 1 1 302.375 -1.234 20 0 DAADMO C[C@H](O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 ZINC001127985704 775897280 /nfs/dbraw/zinc/89/72/80/775897280.db2.gz YTAGVPIYZBWGJR-UWVGGRQHSA-N 1 1 324.385 -1.555 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001127993929 775898476 /nfs/dbraw/zinc/89/84/76/775898476.db2.gz ONUOOOSKRIWFRU-RKDXNWHRSA-N 1 1 313.362 -1.872 20 0 DAADMO CN(CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)S(C)(=O)=O ZINC001107980558 775901999 /nfs/dbraw/zinc/90/19/99/775901999.db2.gz UUQOIZFNFYNANU-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)S(C)(=O)=O ZINC001107980558 775902005 /nfs/dbraw/zinc/90/20/05/775902005.db2.gz UUQOIZFNFYNANU-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107979670 775902326 /nfs/dbraw/zinc/90/23/26/775902326.db2.gz LDMSCOYYUFHYGD-CQSZACIVSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107979670 775902333 /nfs/dbraw/zinc/90/23/33/775902333.db2.gz LDMSCOYYUFHYGD-CQSZACIVSA-N 1 1 317.386 -1.709 20 0 DAADMO CN(CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)S(C)(=O)=O ZINC001107980557 775902406 /nfs/dbraw/zinc/90/24/06/775902406.db2.gz UUQOIZFNFYNANU-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)S(C)(=O)=O ZINC001107980557 775902415 /nfs/dbraw/zinc/90/24/15/775902415.db2.gz UUQOIZFNFYNANU-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001292586295 775902507 /nfs/dbraw/zinc/90/25/07/775902507.db2.gz JLIYJWMBNKBMPY-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001107983261 775903958 /nfs/dbraw/zinc/90/39/58/775903958.db2.gz HZWOCSDPWDGGFR-OAHLLOKOSA-N 1 1 324.381 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001107983261 775903970 /nfs/dbraw/zinc/90/39/70/775903970.db2.gz HZWOCSDPWDGGFR-OAHLLOKOSA-N 1 1 324.381 -1.226 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099608100 775904520 /nfs/dbraw/zinc/90/45/20/775904520.db2.gz WFTWEAYMWOGUNS-RYUDHWBXSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC[N@H+]1CC[C@H](NC(=O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099608100 775904529 /nfs/dbraw/zinc/90/45/29/775904529.db2.gz WFTWEAYMWOGUNS-RYUDHWBXSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099613320 775905147 /nfs/dbraw/zinc/90/51/47/775905147.db2.gz HEDAYXVCCNIUES-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099613320 775905155 /nfs/dbraw/zinc/90/51/55/775905155.db2.gz HEDAYXVCCNIUES-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1CCOCC1 ZINC001099610792 775905970 /nfs/dbraw/zinc/90/59/70/775905970.db2.gz LCEPDBFEVOUZGU-ZIAGYGMSSA-N 1 1 316.398 -1.027 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611670 775906110 /nfs/dbraw/zinc/90/61/10/775906110.db2.gz VOXBEGKSKNNTCN-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611670 775906115 /nfs/dbraw/zinc/90/61/15/775906115.db2.gz VOXBEGKSKNNTCN-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099613321 775906458 /nfs/dbraw/zinc/90/64/58/775906458.db2.gz HEDAYXVCCNIUES-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099613321 775906467 /nfs/dbraw/zinc/90/64/67/775906467.db2.gz HEDAYXVCCNIUES-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001128070022 775908470 /nfs/dbraw/zinc/90/84/70/775908470.db2.gz QDSKRQCPBDPNGD-UHFFFAOYSA-N 1 1 322.377 -1.600 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099616862 775908743 /nfs/dbraw/zinc/90/87/43/775908743.db2.gz GDWRZAYZADAGCK-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099616862 775908750 /nfs/dbraw/zinc/90/87/50/775908750.db2.gz GDWRZAYZADAGCK-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089939720 775909170 /nfs/dbraw/zinc/90/91/70/775909170.db2.gz XANRYFLUNUSVPH-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC001077863778 775911956 /nfs/dbraw/zinc/91/19/56/775911956.db2.gz RJUCUHMUDSIPAF-HBNTYKKESA-N 1 1 321.341 -2.163 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001128104986 775915796 /nfs/dbraw/zinc/91/57/96/775915796.db2.gz QRFXSUSPVQHTLK-ZETCQYMHSA-N 1 1 301.372 -1.075 20 0 DAADMO C[C@]1(CNC(=O)C[C@@H]2NC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108001536 775918393 /nfs/dbraw/zinc/91/83/93/775918393.db2.gz GYJVDPGNHCEDRT-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@]1(CNC(=O)C[C@@H]2NC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108001536 775918404 /nfs/dbraw/zinc/91/84/04/775918404.db2.gz GYJVDPGNHCEDRT-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099622781 775919347 /nfs/dbraw/zinc/91/93/47/775919347.db2.gz DCDFGHJLDLPJCC-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099622781 775919360 /nfs/dbraw/zinc/91/93/60/775919360.db2.gz DCDFGHJLDLPJCC-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099622779 775919378 /nfs/dbraw/zinc/91/93/78/775919378.db2.gz DCDFGHJLDLPJCC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099622779 775919389 /nfs/dbraw/zinc/91/93/89/775919389.db2.gz DCDFGHJLDLPJCC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108003893 775919671 /nfs/dbraw/zinc/91/96/71/775919671.db2.gz MGHXGXDPOVICGM-SGMGOOAPSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108003893 775919676 /nfs/dbraw/zinc/91/96/76/775919676.db2.gz MGHXGXDPOVICGM-SGMGOOAPSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108003889 775919699 /nfs/dbraw/zinc/91/96/99/775919699.db2.gz MGHXGXDPOVICGM-OBJOEFQTSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108003889 775919708 /nfs/dbraw/zinc/91/97/08/775919708.db2.gz MGHXGXDPOVICGM-OBJOEFQTSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004887 775920321 /nfs/dbraw/zinc/92/03/21/775920321.db2.gz GTCYXXOOYLBANN-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004887 775920328 /nfs/dbraw/zinc/92/03/28/775920328.db2.gz GTCYXXOOYLBANN-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955715 775920534 /nfs/dbraw/zinc/92/05/34/775920534.db2.gz DSMIHQSXCIOEFP-QWRGUYRKSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955715 775920543 /nfs/dbraw/zinc/92/05/43/775920543.db2.gz DSMIHQSXCIOEFP-QWRGUYRKSA-N 1 1 324.381 -1.653 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099622780 775920558 /nfs/dbraw/zinc/92/05/58/775920558.db2.gz DCDFGHJLDLPJCC-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099622780 775920563 /nfs/dbraw/zinc/92/05/63/775920563.db2.gz DCDFGHJLDLPJCC-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)CNC1=O ZINC001272900381 775924604 /nfs/dbraw/zinc/92/46/04/775924604.db2.gz USMPUGTVDNSBQU-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CC[C@@H]1NC(=O)CNC1=O ZINC001272900381 775924614 /nfs/dbraw/zinc/92/46/14/775924614.db2.gz USMPUGTVDNSBQU-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001212441021 775927505 /nfs/dbraw/zinc/92/75/05/775927505.db2.gz XXGJCWDELMSUGQ-GHMZBOCLSA-N 1 1 324.385 -1.395 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001212441021 775927512 /nfs/dbraw/zinc/92/75/12/775927512.db2.gz XXGJCWDELMSUGQ-GHMZBOCLSA-N 1 1 324.385 -1.395 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC001083804485 775929387 /nfs/dbraw/zinc/92/93/87/775929387.db2.gz JAQXNFBCZMNMCL-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC001083804485 775929391 /nfs/dbraw/zinc/92/93/91/775929391.db2.gz JAQXNFBCZMNMCL-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CC12CC2 ZINC001083808664 775930035 /nfs/dbraw/zinc/93/00/35/775930035.db2.gz PRMWRCGVGYSBPU-TUAOUCFPSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CC12CC2 ZINC001083808664 775930046 /nfs/dbraw/zinc/93/00/46/775930046.db2.gz PRMWRCGVGYSBPU-TUAOUCFPSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099644655 775930171 /nfs/dbraw/zinc/93/01/71/775930171.db2.gz JCHDLQPQZQVTBA-QWHCGFSZSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[C@H]1CC12CC2 ZINC001083808268 775930444 /nfs/dbraw/zinc/93/04/44/775930444.db2.gz FYLXUBPPHIMDCL-MXWKQRLJSA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[C@H]1CC12CC2 ZINC001083808268 775930457 /nfs/dbraw/zinc/93/04/57/775930457.db2.gz FYLXUBPPHIMDCL-MXWKQRLJSA-N 1 1 322.365 -1.500 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089982063 775937016 /nfs/dbraw/zinc/93/70/16/775937016.db2.gz VAGGUCVYYFKYQR-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089982063 775937029 /nfs/dbraw/zinc/93/70/29/775937029.db2.gz VAGGUCVYYFKYQR-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089982064 775937138 /nfs/dbraw/zinc/93/71/38/775937138.db2.gz VAGGUCVYYFKYQR-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089982064 775937145 /nfs/dbraw/zinc/93/71/45/775937145.db2.gz VAGGUCVYYFKYQR-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@]1(CNC(=O)CN2CCCNC2=O)C[N@H+](CCO)CCO1 ZINC001108048684 775937882 /nfs/dbraw/zinc/93/78/82/775937882.db2.gz AWSRBZYPLZOGGU-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO C[C@]1(CNC(=O)CN2CCCNC2=O)C[N@@H+](CCO)CCO1 ZINC001108048684 775937888 /nfs/dbraw/zinc/93/78/88/775937888.db2.gz AWSRBZYPLZOGGU-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)n1 ZINC001083814318 775939456 /nfs/dbraw/zinc/93/94/56/775939456.db2.gz ZQFCRAVDCIGFQA-NEPJUHHUSA-N 1 1 305.342 -1.558 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083814811 775941143 /nfs/dbraw/zinc/94/11/43/775941143.db2.gz VVVYNRRNMBBKOC-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083814811 775941145 /nfs/dbraw/zinc/94/11/45/775941145.db2.gz VVVYNRRNMBBKOC-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)C1=O ZINC001083815252 775941201 /nfs/dbraw/zinc/94/12/01/775941201.db2.gz OCHLUFZSVKEDCV-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1)N1CCOCC1 ZINC001089984171 775941882 /nfs/dbraw/zinc/94/18/82/775941882.db2.gz QJPFLBIEFRMSAN-NXEZZACHSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1)N1CCOCC1 ZINC001089984171 775941893 /nfs/dbraw/zinc/94/18/93/775941893.db2.gz QJPFLBIEFRMSAN-NXEZZACHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001089986753 775942558 /nfs/dbraw/zinc/94/25/58/775942558.db2.gz INZIEASQJLYEHP-GHMZBOCLSA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001089986753 775942567 /nfs/dbraw/zinc/94/25/67/775942567.db2.gz INZIEASQJLYEHP-GHMZBOCLSA-N 1 1 312.370 -1.112 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099647625 775942660 /nfs/dbraw/zinc/94/26/60/775942660.db2.gz HFLSGNJTYCHOJG-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099647625 775942667 /nfs/dbraw/zinc/94/26/67/775942667.db2.gz HFLSGNJTYCHOJG-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089987174 775943000 /nfs/dbraw/zinc/94/30/00/775943000.db2.gz LZHXHCADCKHJJX-RYUDHWBXSA-N 1 1 324.381 -1.455 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089987174 775943007 /nfs/dbraw/zinc/94/30/07/775943007.db2.gz LZHXHCADCKHJJX-RYUDHWBXSA-N 1 1 324.381 -1.455 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089987175 775943396 /nfs/dbraw/zinc/94/33/96/775943396.db2.gz LZHXHCADCKHJJX-VXGBXAGGSA-N 1 1 324.381 -1.455 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089987175 775943401 /nfs/dbraw/zinc/94/34/01/775943401.db2.gz LZHXHCADCKHJJX-VXGBXAGGSA-N 1 1 324.381 -1.455 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032833904 775944215 /nfs/dbraw/zinc/94/42/15/775944215.db2.gz KUFYBVKJCCIIAF-DCAQKATOSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032833904 775944222 /nfs/dbraw/zinc/94/42/22/775944222.db2.gz KUFYBVKJCCIIAF-DCAQKATOSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833889 775944288 /nfs/dbraw/zinc/94/42/88/775944288.db2.gz GAHJUFYHKXQWMI-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833889 775944298 /nfs/dbraw/zinc/94/42/98/775944298.db2.gz GAHJUFYHKXQWMI-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C(F)F ZINC001089990302 775944462 /nfs/dbraw/zinc/94/44/62/775944462.db2.gz PNOIAUJANMPCRN-HTQZYQBOSA-N 1 1 320.296 -1.645 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001003046975 775945200 /nfs/dbraw/zinc/94/52/00/775945200.db2.gz HJVRHABVMWABBT-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833898 775945820 /nfs/dbraw/zinc/94/58/20/775945820.db2.gz JEVGKPWNLIJHPW-DCAQKATOSA-N 1 1 311.386 -1.016 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833898 775945828 /nfs/dbraw/zinc/94/58/28/775945828.db2.gz JEVGKPWNLIJHPW-DCAQKATOSA-N 1 1 311.386 -1.016 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001089992642 775946681 /nfs/dbraw/zinc/94/66/81/775946681.db2.gz HFFZFQKAIYONJK-WDEREUQCSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001089992641 775947627 /nfs/dbraw/zinc/94/76/27/775947627.db2.gz HFFZFQKAIYONJK-QWRGUYRKSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001089994524 775948538 /nfs/dbraw/zinc/94/85/38/775948538.db2.gz WEEPVALSJYSKSG-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC001090029179 775953227 /nfs/dbraw/zinc/95/32/27/775953227.db2.gz FAVKPOVFIPBQPB-YPMHNXCESA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030817 775953349 /nfs/dbraw/zinc/95/33/49/775953349.db2.gz MHMRAYGBJSMODZ-QWRGUYRKSA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030817 775953354 /nfs/dbraw/zinc/95/33/54/775953354.db2.gz MHMRAYGBJSMODZ-QWRGUYRKSA-N 1 1 313.354 -1.486 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC001090032871 775954507 /nfs/dbraw/zinc/95/45/07/775954507.db2.gz USXXDWCUZNDYPU-NWDGAFQWSA-N 1 1 323.353 -1.282 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC001090029173 775954701 /nfs/dbraw/zinc/95/47/01/775954701.db2.gz FAVKPOVFIPBQPB-DGCLKSJQSA-N 1 1 317.353 -1.067 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820495 775956352 /nfs/dbraw/zinc/95/63/52/775956352.db2.gz PSCMACOUXUXEEU-AXFHLTTASA-N 1 1 310.354 -1.288 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC001090054077 775957617 /nfs/dbraw/zinc/95/76/17/775957617.db2.gz HGQJVNNUOGRXIM-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC001090054077 775957625 /nfs/dbraw/zinc/95/76/25/775957625.db2.gz HGQJVNNUOGRXIM-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054065 775957729 /nfs/dbraw/zinc/95/77/29/775957729.db2.gz HBWYVPNIMWFJAO-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054065 775957738 /nfs/dbraw/zinc/95/77/38/775957738.db2.gz HBWYVPNIMWFJAO-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055209 775958380 /nfs/dbraw/zinc/95/83/80/775958380.db2.gz PPQPMPQXDNZMNB-VHSXEESVSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055209 775958392 /nfs/dbraw/zinc/95/83/92/775958392.db2.gz PPQPMPQXDNZMNB-VHSXEESVSA-N 1 1 311.346 -2.687 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054447 775958415 /nfs/dbraw/zinc/95/84/15/775958415.db2.gz JPMUQXFCNAQULY-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054447 775958431 /nfs/dbraw/zinc/95/84/31/775958431.db2.gz JPMUQXFCNAQULY-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001090055555 775958950 /nfs/dbraw/zinc/95/89/50/775958950.db2.gz UWERCNVZMLHUAP-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055578 775958999 /nfs/dbraw/zinc/95/89/99/775958999.db2.gz VIXWWDPXWCTXRK-WDEREUQCSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055578 775959005 /nfs/dbraw/zinc/95/90/05/775959005.db2.gz VIXWWDPXWCTXRK-WDEREUQCSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001090056759 775961614 /nfs/dbraw/zinc/96/16/14/775961614.db2.gz IBLGZBUGLTXOMB-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001090056759 775961622 /nfs/dbraw/zinc/96/16/22/775961622.db2.gz IBLGZBUGLTXOMB-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056240 775961897 /nfs/dbraw/zinc/96/18/97/775961897.db2.gz FHADJCIGNKILCZ-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056240 775961907 /nfs/dbraw/zinc/96/19/07/775961907.db2.gz FHADJCIGNKILCZ-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001090056753 775962035 /nfs/dbraw/zinc/96/20/35/775962035.db2.gz IBLGZBUGLTXOMB-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001090056753 775962043 /nfs/dbraw/zinc/96/20/43/775962043.db2.gz IBLGZBUGLTXOMB-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001090058828 775962817 /nfs/dbraw/zinc/96/28/17/775962817.db2.gz VFCCUOWTFJOQFS-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001090058828 775962828 /nfs/dbraw/zinc/96/28/28/775962828.db2.gz VFCCUOWTFJOQFS-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090072827 775965379 /nfs/dbraw/zinc/96/53/79/775965379.db2.gz MGANQHVFLKTRQP-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090072827 775965389 /nfs/dbraw/zinc/96/53/89/775965389.db2.gz MGANQHVFLKTRQP-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090080652 775967998 /nfs/dbraw/zinc/96/79/98/775967998.db2.gz XDDFGUGYBJXDJI-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078360 775968282 /nfs/dbraw/zinc/96/82/82/775968282.db2.gz GRSJATXCLAMLGR-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001090078360 775968294 /nfs/dbraw/zinc/96/82/94/775968294.db2.gz GRSJATXCLAMLGR-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC(=O)NC1CC1 ZINC001168731064 775969154 /nfs/dbraw/zinc/96/91/54/775969154.db2.gz CWVXJFUYEYPIOQ-UHFFFAOYSA-N 1 1 309.330 -1.498 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC(=O)NC1CC1 ZINC001168731064 775969160 /nfs/dbraw/zinc/96/91/60/775969160.db2.gz CWVXJFUYEYPIOQ-UHFFFAOYSA-N 1 1 309.330 -1.498 20 0 DAADMO CN(CC[NH2+]CCCNC(=O)c1ncn[nH]1)S(C)(=O)=O ZINC001168732124 775970359 /nfs/dbraw/zinc/97/03/59/775970359.db2.gz XDMVAMZPARELPK-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO CN(CC[NH2+]CCCNC(=O)c1nc[nH]n1)S(C)(=O)=O ZINC001168732124 775970372 /nfs/dbraw/zinc/97/03/72/775970372.db2.gz XDMVAMZPARELPK-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1ncn[nH]1 ZINC001168732020 775970904 /nfs/dbraw/zinc/97/09/04/775970904.db2.gz VULNFHJIRLBAHI-UHFFFAOYSA-N 1 1 316.387 -1.450 20 0 DAADMO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1nc[nH]n1 ZINC001168732020 775970912 /nfs/dbraw/zinc/97/09/12/775970912.db2.gz VULNFHJIRLBAHI-UHFFFAOYSA-N 1 1 316.387 -1.450 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095733 775971053 /nfs/dbraw/zinc/97/10/53/775971053.db2.gz DHXMTAWWAODPOU-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095733 775971061 /nfs/dbraw/zinc/97/10/61/775971061.db2.gz DHXMTAWWAODPOU-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168732220 775971601 /nfs/dbraw/zinc/97/16/01/775971601.db2.gz ZNZVCZYYXWPJJK-MNOVXSKESA-N 1 1 315.374 -1.073 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168732220 775971610 /nfs/dbraw/zinc/97/16/10/775971610.db2.gz ZNZVCZYYXWPJJK-MNOVXSKESA-N 1 1 315.374 -1.073 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 ZINC001083838349 775974813 /nfs/dbraw/zinc/97/48/13/775974813.db2.gz QXKSWHQQYFIJNI-UPJWGTAASA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 ZINC001083838349 775974825 /nfs/dbraw/zinc/97/48/25/775974825.db2.gz QXKSWHQQYFIJNI-UPJWGTAASA-N 1 1 313.398 -1.213 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 ZINC001108074974 775975450 /nfs/dbraw/zinc/97/54/50/775975450.db2.gz RALROONEQJCYOG-CQSZACIVSA-N 1 1 309.370 -1.116 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083838385 775975846 /nfs/dbraw/zinc/97/58/46/775975846.db2.gz SCWIYUHZJDYAJF-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083838385 775975853 /nfs/dbraw/zinc/97/58/53/775975853.db2.gz SCWIYUHZJDYAJF-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070684 775977084 /nfs/dbraw/zinc/97/70/84/775977084.db2.gz ZNJDGRHYSGCYEJ-HZSPNIEDSA-N 1 1 313.398 -1.041 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273069674 775977136 /nfs/dbraw/zinc/97/71/36/775977136.db2.gz MGZLCZIKDNMEGF-RDBSUJKOSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273069272 775977584 /nfs/dbraw/zinc/97/75/84/775977584.db2.gz HBQCZLRYWIEBRP-XQQFMLRXSA-N 1 1 310.398 -1.574 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273069271 775978215 /nfs/dbraw/zinc/97/82/15/775978215.db2.gz HBQCZLRYWIEBRP-FRRDWIJNSA-N 1 1 310.398 -1.574 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c1 ZINC001090106865 775981466 /nfs/dbraw/zinc/98/14/66/775981466.db2.gz FWCOHOHKDCGGMZ-RYUDHWBXSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001168739341 775981597 /nfs/dbraw/zinc/98/15/97/775981597.db2.gz NQWRARZXLQQJMV-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001168739341 775981601 /nfs/dbraw/zinc/98/16/01/775981601.db2.gz NQWRARZXLQQJMV-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2ncn[nH]2)CCO1 ZINC001168738405 775981699 /nfs/dbraw/zinc/98/16/99/775981699.db2.gz DIEVWFFXVZLGIG-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c1 ZINC001090106861 775981692 /nfs/dbraw/zinc/98/16/92/775981692.db2.gz FWCOHOHKDCGGMZ-NEPJUHHUSA-N 1 1 305.342 -1.134 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2nc[nH]n2)CCO1 ZINC001168738405 775981701 /nfs/dbraw/zinc/98/17/01/775981701.db2.gz DIEVWFFXVZLGIG-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2ncn[nH]2)CCO1 ZINC001168738403 775981782 /nfs/dbraw/zinc/98/17/82/775981782.db2.gz DIEVWFFXVZLGIG-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2nc[nH]n2)CCO1 ZINC001168738403 775981785 /nfs/dbraw/zinc/98/17/85/775981785.db2.gz DIEVWFFXVZLGIG-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ncn[nH]1 ZINC001168739486 775981796 /nfs/dbraw/zinc/98/17/96/775981796.db2.gz QCVWCKNCXCLTQO-SECBINFHSA-N 1 1 324.341 -1.976 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1nc[nH]n1 ZINC001168739486 775981799 /nfs/dbraw/zinc/98/17/99/775981799.db2.gz QCVWCKNCXCLTQO-SECBINFHSA-N 1 1 324.341 -1.976 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnsn1 ZINC001090107966 775982512 /nfs/dbraw/zinc/98/25/12/775982512.db2.gz LLOGFDPQASJTPI-KOLCDFICSA-N 1 1 323.382 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnsn1 ZINC001090107967 775982806 /nfs/dbraw/zinc/98/28/06/775982806.db2.gz LLOGFDPQASJTPI-MWLCHTKSSA-N 1 1 323.382 -1.005 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1)N1CCC1 ZINC001090111813 775984622 /nfs/dbraw/zinc/98/46/22/775984622.db2.gz ODJHJRVJYKIFQW-RYUDHWBXSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1)N1CCC1 ZINC001090111813 775984629 /nfs/dbraw/zinc/98/46/29/775984629.db2.gz ODJHJRVJYKIFQW-RYUDHWBXSA-N 1 1 307.354 -1.193 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC001090112067 775984730 /nfs/dbraw/zinc/98/47/30/775984730.db2.gz OLVQTNMLGCPERE-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC001090112067 775984734 /nfs/dbraw/zinc/98/47/34/775984734.db2.gz OLVQTNMLGCPERE-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC001090117468 775985726 /nfs/dbraw/zinc/98/57/26/775985726.db2.gz BVZIZBNGZHNABD-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC001090117468 775985734 /nfs/dbraw/zinc/98/57/34/775985734.db2.gz BVZIZBNGZHNABD-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001099666217 775987139 /nfs/dbraw/zinc/98/71/39/775987139.db2.gz RSSXMHCMWPDTTQ-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001099666217 775987148 /nfs/dbraw/zinc/98/71/48/775987148.db2.gz RSSXMHCMWPDTTQ-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC001117748991 775987952 /nfs/dbraw/zinc/98/79/52/775987952.db2.gz SRYPPOFBUCBYMP-UHFFFAOYSA-N 1 1 309.326 -1.033 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001099666553 775988037 /nfs/dbraw/zinc/98/80/37/775988037.db2.gz YFQXAKQQCYRAOQ-RYUDHWBXSA-N 1 1 314.386 -1.225 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129241 775988716 /nfs/dbraw/zinc/98/87/16/775988716.db2.gz LEZLZPHFPAPMGY-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129241 775988722 /nfs/dbraw/zinc/98/87/22/775988722.db2.gz LEZLZPHFPAPMGY-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098414 775989056 /nfs/dbraw/zinc/98/90/56/775989056.db2.gz SITRTNRHHMBSLW-NSHDSACASA-N 1 1 308.404 -1.733 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098414 775989061 /nfs/dbraw/zinc/98/90/61/775989061.db2.gz SITRTNRHHMBSLW-NSHDSACASA-N 1 1 308.404 -1.733 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090129041 775989365 /nfs/dbraw/zinc/98/93/65/775989365.db2.gz KFRNGVHVDCCYAG-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090129041 775989376 /nfs/dbraw/zinc/98/93/76/775989376.db2.gz KFRNGVHVDCCYAG-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108097877 775989547 /nfs/dbraw/zinc/98/95/47/775989547.db2.gz NLRBEOSOKRYAIC-GFCCVEGCSA-N 1 1 322.431 -1.344 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090130733 775990548 /nfs/dbraw/zinc/99/05/48/775990548.db2.gz ZZWRLMMBGJBPAF-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090130733 775990556 /nfs/dbraw/zinc/99/05/56/775990556.db2.gz ZZWRLMMBGJBPAF-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)S1(=O)=O ZINC001083852904 775990739 /nfs/dbraw/zinc/99/07/39/775990739.db2.gz RLIXQPRZPSXMQB-GRYCIOLGSA-N 1 1 317.411 -1.408 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853106 775990893 /nfs/dbraw/zinc/99/08/93/775990893.db2.gz CLDPIHLOIIJMEJ-OUAUKWLOSA-N 1 1 305.400 -1.410 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC001090131452 775991058 /nfs/dbraw/zinc/99/10/58/775991058.db2.gz ZVWNOGQLNOJAMT-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC001090131452 775991065 /nfs/dbraw/zinc/99/10/65/775991065.db2.gz ZVWNOGQLNOJAMT-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853027 775991240 /nfs/dbraw/zinc/99/12/40/775991240.db2.gz XTJVTILJORPJAY-GRYCIOLGSA-N 1 1 319.427 -1.018 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090130735 775991372 /nfs/dbraw/zinc/99/13/72/775991372.db2.gz ZZWRLMMBGJBPAF-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090130735 775991378 /nfs/dbraw/zinc/99/13/78/775991378.db2.gz ZZWRLMMBGJBPAF-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CNS(=O)(=O)CC)nn1 ZINC001128600651 775992332 /nfs/dbraw/zinc/99/23/32/775992332.db2.gz CYJOTBHKOIZZPY-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601180 775992514 /nfs/dbraw/zinc/99/25/14/775992514.db2.gz NUBCMFMMQWUMLO-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128594727 775993673 /nfs/dbraw/zinc/99/36/73/775993673.db2.gz LJAWVDPVIWJJMR-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001128603177 775994483 /nfs/dbraw/zinc/99/44/83/775994483.db2.gz BPJJOYRUEUXOTO-MRVPVSSYSA-N 1 1 318.403 -1.229 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001128607873 775994841 /nfs/dbraw/zinc/99/48/41/775994841.db2.gz QDHLAIPPBXCGMO-BBBLOLIVSA-N 1 1 319.312 -1.108 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001128607873 775994847 /nfs/dbraw/zinc/99/48/47/775994847.db2.gz QDHLAIPPBXCGMO-BBBLOLIVSA-N 1 1 319.312 -1.108 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001128608754 775996713 /nfs/dbraw/zinc/99/67/13/775996713.db2.gz AKXJCWAQTVQUGQ-UHFFFAOYSA-N 1 1 304.376 -1.742 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN(C)S(C)(=O)=O)c1nncn1C ZINC001128604294 775997253 /nfs/dbraw/zinc/99/72/53/775997253.db2.gz UVOIWESCFPTEDH-SECBINFHSA-N 1 1 318.403 -1.527 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1cn(C)nn1)S(C)(=O)=O ZINC001128603642 775997587 /nfs/dbraw/zinc/99/75/87/775997587.db2.gz KVTUBBVOQCXRKE-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090136982 775998626 /nfs/dbraw/zinc/99/86/26/775998626.db2.gz KCQDSFITRLMAHH-ZJUUUORDSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090136982 775998634 /nfs/dbraw/zinc/99/86/34/775998634.db2.gz KCQDSFITRLMAHH-ZJUUUORDSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001090136340 775999462 /nfs/dbraw/zinc/99/94/62/775999462.db2.gz DTPCULUGLIUGHP-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnn(C)c2)[C@H](O)C1 ZINC001090136340 775999473 /nfs/dbraw/zinc/99/94/73/775999473.db2.gz DTPCULUGLIUGHP-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001128619568 776000575 /nfs/dbraw/zinc/00/05/75/776000575.db2.gz ZWLLYBWLHMYHJY-SNVBAGLBSA-N 1 1 312.374 -1.313 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001128619261 776000897 /nfs/dbraw/zinc/00/08/97/776000897.db2.gz QKDOLJMKBOSPNQ-SECBINFHSA-N 1 1 312.374 -1.015 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128647496 776004971 /nfs/dbraw/zinc/00/49/71/776004971.db2.gz VGIVUXZEFDWXHW-NEPJUHHUSA-N 1 1 310.358 -1.862 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128664183 776005014 /nfs/dbraw/zinc/00/50/14/776005014.db2.gz AMXTVOIXZMBYLB-JTQLQIEISA-N 1 1 309.374 -1.062 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC1=O ZINC001128649424 776005599 /nfs/dbraw/zinc/00/55/99/776005599.db2.gz DEHVPBNBKWLLLB-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CC(C)CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001128678958 776007038 /nfs/dbraw/zinc/00/70/38/776007038.db2.gz CWYFSYHNWHPMKF-NSHDSACASA-N 1 1 323.401 -1.080 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)CC1=O ZINC001128665844 776007428 /nfs/dbraw/zinc/00/74/28/776007428.db2.gz UZCXQUJXUFHYIK-SNVBAGLBSA-N 1 1 312.349 -1.068 20 0 DAADMO CC(C)CN1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001128678957 776007503 /nfs/dbraw/zinc/00/75/03/776007503.db2.gz CWYFSYHNWHPMKF-LLVKDONJSA-N 1 1 323.401 -1.080 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)CC1=O ZINC001128665843 776008008 /nfs/dbraw/zinc/00/80/08/776008008.db2.gz UZCXQUJXUFHYIK-JTQLQIEISA-N 1 1 312.349 -1.068 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001128681898 776008502 /nfs/dbraw/zinc/00/85/02/776008502.db2.gz QOMNQUHCECHBIS-MNOVXSKESA-N 1 1 307.358 -1.302 20 0 DAADMO COCC(=O)NCCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001128691015 776009630 /nfs/dbraw/zinc/00/96/30/776009630.db2.gz BTAREVVEUCICHF-JTQLQIEISA-N 1 1 312.374 -1.265 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H](C)N2C(=O)CCC2=O)[nH]1 ZINC001128719150 776010626 /nfs/dbraw/zinc/01/06/26/776010626.db2.gz BUUSNESHTJBSFU-QMMMGPOBSA-N 1 1 308.342 -1.144 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@@H](O)C1 ZINC001083854959 776011337 /nfs/dbraw/zinc/01/13/37/776011337.db2.gz OYYQDXVNRLILPD-HDCINBLHSA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)N1C(=O)CCC1=O ZINC001128720115 776011962 /nfs/dbraw/zinc/01/19/62/776011962.db2.gz JSDCTCIZXJSNNJ-SECBINFHSA-N 1 1 308.342 -1.442 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1C(=O)CCC1=O ZINC001128727757 776013692 /nfs/dbraw/zinc/01/36/92/776013692.db2.gz HVKDFJNOQPNJHY-QMMMGPOBSA-N 1 1 309.330 -2.047 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128731876 776013954 /nfs/dbraw/zinc/01/39/54/776013954.db2.gz UJDTXIUGHYSIDV-NEPJUHHUSA-N 1 1 310.358 -1.910 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128731876 776013958 /nfs/dbraw/zinc/01/39/58/776013958.db2.gz UJDTXIUGHYSIDV-NEPJUHHUSA-N 1 1 310.358 -1.910 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128730191 776015570 /nfs/dbraw/zinc/01/55/70/776015570.db2.gz GBWNANGTMRTDPB-OLZOCXBDSA-N 1 1 324.385 -1.256 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](n2ccnn2)C1 ZINC001128730191 776015576 /nfs/dbraw/zinc/01/55/76/776015576.db2.gz GBWNANGTMRTDPB-OLZOCXBDSA-N 1 1 324.385 -1.256 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCCN2C(=O)CCC2=O)n1 ZINC001128752675 776016207 /nfs/dbraw/zinc/01/62/07/776016207.db2.gz GOTFCYGCYZILQA-UHFFFAOYSA-N 1 1 322.369 -1.050 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090152126 776018492 /nfs/dbraw/zinc/01/84/92/776018492.db2.gz VBNAXPIDFVNWIV-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090152126 776018518 /nfs/dbraw/zinc/01/85/18/776018518.db2.gz VBNAXPIDFVNWIV-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858806 776018850 /nfs/dbraw/zinc/01/88/50/776018850.db2.gz TWFIKDIMWACSAC-GDPRMGEGSA-N 1 1 315.345 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858861 776019811 /nfs/dbraw/zinc/01/98/11/776019811.db2.gz WIYMXTYLXRBWJF-ZJUUUORDSA-N 1 1 301.318 -1.440 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157485 776020196 /nfs/dbraw/zinc/02/01/96/776020196.db2.gz ARTWNFQJMBFCGB-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001090157485 776020205 /nfs/dbraw/zinc/02/02/05/776020205.db2.gz ARTWNFQJMBFCGB-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001128789481 776020683 /nfs/dbraw/zinc/02/06/83/776020683.db2.gz HORACWNEKILYOW-UHFFFAOYSA-N 1 1 319.316 -1.322 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090159393 776021745 /nfs/dbraw/zinc/02/17/45/776021745.db2.gz TVYDHNRHOPXGMJ-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090159394 776021915 /nfs/dbraw/zinc/02/19/15/776021915.db2.gz TVYDHNRHOPXGMJ-QWHCGFSZSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC001090159782 776022310 /nfs/dbraw/zinc/02/23/10/776022310.db2.gz WGHZRAWERYHESY-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC001090159782 776022319 /nfs/dbraw/zinc/02/23/19/776022319.db2.gz WGHZRAWERYHESY-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001128790754 776023741 /nfs/dbraw/zinc/02/37/41/776023741.db2.gz ZMRYFKRKDXWJJC-MRVPVSSYSA-N 1 1 310.362 -1.296 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001128790469 776024161 /nfs/dbraw/zinc/02/41/61/776024161.db2.gz ULMVTFFVCOXHGT-UHFFFAOYSA-N 1 1 309.374 -1.177 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)nn1 ZINC001128813741 776026412 /nfs/dbraw/zinc/02/64/12/776026412.db2.gz CPQPQKCYGZYUSR-UHFFFAOYSA-N 1 1 316.387 -1.944 20 0 DAADMO COCC1(C(=O)NCC[NH2+]Cc2nnnn2C)CCOCC1 ZINC001128854606 776029745 /nfs/dbraw/zinc/02/97/45/776029745.db2.gz OBDBDPYBDDNYPH-UHFFFAOYSA-N 1 1 312.374 -1.141 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128839233 776030498 /nfs/dbraw/zinc/03/04/98/776030498.db2.gz XPNJJBBJPWGNOF-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001090197992 776031586 /nfs/dbraw/zinc/03/15/86/776031586.db2.gz SJWMFLBWQQTVJF-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001090197993 776032536 /nfs/dbraw/zinc/03/25/36/776032536.db2.gz SJWMFLBWQQTVJF-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090197836 776032638 /nfs/dbraw/zinc/03/26/38/776032638.db2.gz QJTSKOVIBCMVEV-UWVGGRQHSA-N 1 1 301.322 -1.105 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128875896 776032674 /nfs/dbraw/zinc/03/26/74/776032674.db2.gz YRGMKAIEPCZDHB-UHFFFAOYSA-N 1 1 302.302 -1.604 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)NC1=O ZINC001108120012 776032776 /nfs/dbraw/zinc/03/27/76/776032776.db2.gz VJMOGMNLJMPHNT-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)NC1=O ZINC001108120012 776032781 /nfs/dbraw/zinc/03/27/81/776032781.db2.gz VJMOGMNLJMPHNT-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090203828 776034094 /nfs/dbraw/zinc/03/40/94/776034094.db2.gz JZNPOMGIHRGHON-STQMWFEESA-N 1 1 301.387 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090210182 776035624 /nfs/dbraw/zinc/03/56/24/776035624.db2.gz LILBXGBGBOOXPN-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090210182 776035635 /nfs/dbraw/zinc/03/56/35/776035635.db2.gz LILBXGBGBOOXPN-RYUDHWBXSA-N 1 1 307.354 -1.270 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001128944962 776036453 /nfs/dbraw/zinc/03/64/53/776036453.db2.gz MEVJOFQZVYJKSL-TUAOUCFPSA-N 1 1 324.385 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090210181 776036659 /nfs/dbraw/zinc/03/66/59/776036659.db2.gz LILBXGBGBOOXPN-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090210181 776036670 /nfs/dbraw/zinc/03/66/70/776036670.db2.gz LILBXGBGBOOXPN-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC001090216113 776038406 /nfs/dbraw/zinc/03/84/06/776038406.db2.gz LJHOXMGVFLYEJM-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC001090216113 776038414 /nfs/dbraw/zinc/03/84/14/776038414.db2.gz LJHOXMGVFLYEJM-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090217694 776039845 /nfs/dbraw/zinc/03/98/45/776039845.db2.gz RMVWHIWEYWGBLB-QWRGUYRKSA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090217694 776039853 /nfs/dbraw/zinc/03/98/53/776039853.db2.gz RMVWHIWEYWGBLB-QWRGUYRKSA-N 1 1 324.385 -1.745 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128972977 776041758 /nfs/dbraw/zinc/04/17/58/776041758.db2.gz PVFPBNFMEAETLA-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090236902 776042874 /nfs/dbraw/zinc/04/28/74/776042874.db2.gz KIGKKURAIWUZAO-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001090228878 776043105 /nfs/dbraw/zinc/04/31/05/776043105.db2.gz ULQRWSYEOVKLGE-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001090228878 776043113 /nfs/dbraw/zinc/04/31/13/776043113.db2.gz ULQRWSYEOVKLGE-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001090242209 776044710 /nfs/dbraw/zinc/04/47/10/776044710.db2.gz WJFDLJXMXNTKNZ-ZYHUDNBSSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090238596 776044895 /nfs/dbraw/zinc/04/48/95/776044895.db2.gz ZAUXQVPKIYVPHQ-ZYHUDNBSSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090238592 776045283 /nfs/dbraw/zinc/04/52/83/776045283.db2.gz ZAUXQVPKIYVPHQ-CMPLNLGQSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090246827 776046405 /nfs/dbraw/zinc/04/64/05/776046405.db2.gz OMLGYAJKTNLISI-GHMZBOCLSA-N 1 1 320.357 -1.728 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090244812 776046943 /nfs/dbraw/zinc/04/69/43/776046943.db2.gz VKOXBFDZYFLBMI-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090244812 776046947 /nfs/dbraw/zinc/04/69/47/776046947.db2.gz VKOXBFDZYFLBMI-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090246830 776047012 /nfs/dbraw/zinc/04/70/12/776047012.db2.gz OMLGYAJKTNLISI-WDEREUQCSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090242515 776047172 /nfs/dbraw/zinc/04/71/72/776047172.db2.gz YTGRIXMUSVCEJZ-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090242515 776047177 /nfs/dbraw/zinc/04/71/77/776047177.db2.gz YTGRIXMUSVCEJZ-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090242516 776047260 /nfs/dbraw/zinc/04/72/60/776047260.db2.gz YTGRIXMUSVCEJZ-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cnnn3C)[C@H](O)C2)cn1 ZINC001090242516 776047265 /nfs/dbraw/zinc/04/72/65/776047265.db2.gz YTGRIXMUSVCEJZ-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC001090246326 776047384 /nfs/dbraw/zinc/04/73/84/776047384.db2.gz JMJKHWJOLMQBAC-VXGBXAGGSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC001090246326 776047390 /nfs/dbraw/zinc/04/73/90/776047390.db2.gz JMJKHWJOLMQBAC-VXGBXAGGSA-N 1 1 319.369 -1.086 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090244809 776047546 /nfs/dbraw/zinc/04/75/46/776047546.db2.gz VKOXBFDZYFLBMI-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090244809 776047548 /nfs/dbraw/zinc/04/75/48/776047548.db2.gz VKOXBFDZYFLBMI-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090251666 776048606 /nfs/dbraw/zinc/04/86/06/776048606.db2.gz KBPXXIFZKCOZKI-GHMZBOCLSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090251666 776048610 /nfs/dbraw/zinc/04/86/10/776048610.db2.gz KBPXXIFZKCOZKI-GHMZBOCLSA-N 1 1 309.370 -1.029 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864352 776048622 /nfs/dbraw/zinc/04/86/22/776048622.db2.gz LKDBLQCAWFBPDI-UPJWGTAASA-N 1 1 315.414 -1.361 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090251668 776049212 /nfs/dbraw/zinc/04/92/12/776049212.db2.gz KBPXXIFZKCOZKI-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090251668 776049216 /nfs/dbraw/zinc/04/92/16/776049216.db2.gz KBPXXIFZKCOZKI-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090252425 776050395 /nfs/dbraw/zinc/05/03/95/776050395.db2.gz SXTQJEIJKIEVTF-QWRGUYRKSA-N 1 1 322.369 -1.400 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090255364 776050491 /nfs/dbraw/zinc/05/04/91/776050491.db2.gz FCHGBDODONXCCW-CMPLNLGQSA-N 1 1 313.358 -1.918 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090255366 776050579 /nfs/dbraw/zinc/05/05/79/776050579.db2.gz FCHGBDODONXCCW-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129032797 776050859 /nfs/dbraw/zinc/05/08/59/776050859.db2.gz USWIHHAORHWHNK-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO NC(=O)C(=O)NC[C@H]1COCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001061840181 776051886 /nfs/dbraw/zinc/05/18/86/776051886.db2.gz KGUGVYULHJNEJK-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129043759 776052134 /nfs/dbraw/zinc/05/21/34/776052134.db2.gz WQOOMKDOSRVMES-MNOVXSKESA-N 1 1 309.374 -1.041 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129127489 776052709 /nfs/dbraw/zinc/05/27/09/776052709.db2.gz FFHAENOYBBZLOR-ZJUUUORDSA-N 1 1 319.312 -1.106 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129127489 776052714 /nfs/dbraw/zinc/05/27/14/776052714.db2.gz FFHAENOYBBZLOR-ZJUUUORDSA-N 1 1 319.312 -1.106 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210042 776054207 /nfs/dbraw/zinc/05/42/07/776054207.db2.gz NZGGNUWVZBEUDV-NEPJUHHUSA-N 1 1 324.385 -1.223 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210042 776054209 /nfs/dbraw/zinc/05/42/09/776054209.db2.gz NZGGNUWVZBEUDV-NEPJUHHUSA-N 1 1 324.385 -1.223 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129243060 776054493 /nfs/dbraw/zinc/05/44/93/776054493.db2.gz GPBUPKLYPFCUIC-WOPDTQHZSA-N 1 1 313.358 -1.727 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129243060 776054498 /nfs/dbraw/zinc/05/44/98/776054498.db2.gz GPBUPKLYPFCUIC-WOPDTQHZSA-N 1 1 313.358 -1.727 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129210773 776054535 /nfs/dbraw/zinc/05/45/35/776054535.db2.gz XHBPVYGCJSBORH-MNOVXSKESA-N 1 1 322.369 -1.469 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129210773 776054541 /nfs/dbraw/zinc/05/45/41/776054541.db2.gz XHBPVYGCJSBORH-MNOVXSKESA-N 1 1 322.369 -1.469 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869235 776056235 /nfs/dbraw/zinc/05/62/35/776056235.db2.gz URJZZGMLAIROJR-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868978 776056268 /nfs/dbraw/zinc/05/62/68/776056268.db2.gz HPPANNSGMRTCQW-MXWKQRLJSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001083872395 776057518 /nfs/dbraw/zinc/05/75/18/776057518.db2.gz ACNWYHRVOOKCEJ-ZJUUUORDSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001083872395 776057530 /nfs/dbraw/zinc/05/75/30/776057530.db2.gz ACNWYHRVOOKCEJ-ZJUUUORDSA-N 1 1 306.326 -1.718 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001090262820 776058003 /nfs/dbraw/zinc/05/80/03/776058003.db2.gz UIKFEMNYUCCFJU-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001090262820 776058012 /nfs/dbraw/zinc/05/80/12/776058012.db2.gz UIKFEMNYUCCFJU-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001090263103 776058028 /nfs/dbraw/zinc/05/80/28/776058028.db2.gz BTEHYKORWJLZFH-CHWSQXEVSA-N 1 1 309.366 -1.300 20 0 DAADMO Cc1cccn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001090263118 776058188 /nfs/dbraw/zinc/05/81/88/776058188.db2.gz BTEHYKORWJLZFH-QWHCGFSZSA-N 1 1 309.366 -1.300 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090260948 776058523 /nfs/dbraw/zinc/05/85/23/776058523.db2.gz LSZPRUPFBIEAIK-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090260948 776058528 /nfs/dbraw/zinc/05/85/28/776058528.db2.gz LSZPRUPFBIEAIK-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)ccc1=O ZINC001083871521 776058797 /nfs/dbraw/zinc/05/87/97/776058797.db2.gz WOSOJOXESTZIAG-WCQGTBRESA-N 1 1 310.354 -1.581 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001090262823 776058914 /nfs/dbraw/zinc/05/89/14/776058914.db2.gz UIKFEMNYUCCFJU-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001090262823 776058919 /nfs/dbraw/zinc/05/89/19/776058919.db2.gz UIKFEMNYUCCFJU-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108167719 776060220 /nfs/dbraw/zinc/06/02/20/776060220.db2.gz PDBJIFRCXTZIKY-GWCFXTLKSA-N 1 1 300.359 -1.479 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108167719 776060226 /nfs/dbraw/zinc/06/02/26/776060226.db2.gz PDBJIFRCXTZIKY-GWCFXTLKSA-N 1 1 300.359 -1.479 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccncn1 ZINC001083874601 776062977 /nfs/dbraw/zinc/06/29/77/776062977.db2.gz FJMARCPCPDLTNS-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccncn1 ZINC001083874601 776062987 /nfs/dbraw/zinc/06/29/87/776062987.db2.gz FJMARCPCPDLTNS-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001090267301 776063514 /nfs/dbraw/zinc/06/35/14/776063514.db2.gz APUHZNYBCMJCQF-QWRGUYRKSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001090267301 776063515 /nfs/dbraw/zinc/06/35/15/776063515.db2.gz APUHZNYBCMJCQF-QWRGUYRKSA-N 1 1 323.382 -1.119 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268024 776064983 /nfs/dbraw/zinc/06/49/83/776064983.db2.gz FYHZQRPOCQBMFR-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268024 776064990 /nfs/dbraw/zinc/06/49/90/776064990.db2.gz FYHZQRPOCQBMFR-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001090267709 776065139 /nfs/dbraw/zinc/06/51/39/776065139.db2.gz CJCZZSBQCIZWQS-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001090267709 776065141 /nfs/dbraw/zinc/06/51/41/776065141.db2.gz CJCZZSBQCIZWQS-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090268119 776065212 /nfs/dbraw/zinc/06/52/12/776065212.db2.gz GXLZTQWYMFWKJA-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001090267706 776065435 /nfs/dbraw/zinc/06/54/35/776065435.db2.gz CJCZZSBQCIZWQS-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001090267706 776065439 /nfs/dbraw/zinc/06/54/39/776065439.db2.gz CJCZZSBQCIZWQS-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877128 776066114 /nfs/dbraw/zinc/06/61/14/776066114.db2.gz IKRITLUGFHJMOK-MXWKQRLJSA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877128 776066120 /nfs/dbraw/zinc/06/61/20/776066120.db2.gz IKRITLUGFHJMOK-MXWKQRLJSA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090268732 776066525 /nfs/dbraw/zinc/06/65/25/776066525.db2.gz OHZFKZVBUXFARQ-QWRGUYRKSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090268732 776066532 /nfs/dbraw/zinc/06/65/32/776066532.db2.gz OHZFKZVBUXFARQ-QWRGUYRKSA-N 1 1 323.357 -2.543 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877349 776067035 /nfs/dbraw/zinc/06/70/35/776067035.db2.gz UBOIUQBXCFMGEK-AXFHLTTASA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877350 776067213 /nfs/dbraw/zinc/06/72/13/776067213.db2.gz UBOIUQBXCFMGEK-MXWKQRLJSA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@@]1(CNC(=O)CCCS(N)(=O)=O)C[N@H+](CCO)CCO1 ZINC001108171976 776067770 /nfs/dbraw/zinc/06/77/70/776067770.db2.gz WJTIXEUKOSEODN-GFCCVEGCSA-N 1 1 323.415 -1.746 20 0 DAADMO C[C@@]1(CNC(=O)CCCS(N)(=O)=O)C[N@@H+](CCO)CCO1 ZINC001108171976 776067777 /nfs/dbraw/zinc/06/77/77/776067777.db2.gz WJTIXEUKOSEODN-GFCCVEGCSA-N 1 1 323.415 -1.746 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC001083878016 776068626 /nfs/dbraw/zinc/06/86/26/776068626.db2.gz YFMSHIBWNDGLBV-NEPJUHHUSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC001083878016 776068632 /nfs/dbraw/zinc/06/86/32/776068632.db2.gz YFMSHIBWNDGLBV-NEPJUHHUSA-N 1 1 323.353 -1.143 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)o1 ZINC001090269342 776068679 /nfs/dbraw/zinc/06/86/79/776068679.db2.gz RPPKNSUBOYGROM-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)o1 ZINC001090269342 776068683 /nfs/dbraw/zinc/06/86/83/776068683.db2.gz RPPKNSUBOYGROM-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001090269530 776068819 /nfs/dbraw/zinc/06/88/19/776068819.db2.gz SJPHHTYGXCABNX-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001090269530 776068820 /nfs/dbraw/zinc/06/88/20/776068820.db2.gz SJPHHTYGXCABNX-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090269565 776068935 /nfs/dbraw/zinc/06/89/35/776068935.db2.gz SOXLMPOQFIDFJV-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090269565 776068937 /nfs/dbraw/zinc/06/89/37/776068937.db2.gz SOXLMPOQFIDFJV-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO COCCOCC[N@@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108173953 776070040 /nfs/dbraw/zinc/07/00/40/776070040.db2.gz YYZHONDWXJJVRH-CYBMUJFWSA-N 1 1 303.359 -1.658 20 0 DAADMO COCCOCC[N@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108173953 776070048 /nfs/dbraw/zinc/07/00/48/776070048.db2.gz YYZHONDWXJJVRH-CYBMUJFWSA-N 1 1 303.359 -1.658 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001108175083 776071160 /nfs/dbraw/zinc/07/11/60/776071160.db2.gz PFDRFRFOJMSXJS-YGRLFVJLSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001108175083 776071167 /nfs/dbraw/zinc/07/11/67/776071167.db2.gz PFDRFRFOJMSXJS-YGRLFVJLSA-N 1 1 322.369 -1.542 20 0 DAADMO Cn1ccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)C(N)=O)C2)cc1=O ZINC001108176653 776072710 /nfs/dbraw/zinc/07/27/10/776072710.db2.gz BQQLCVFUBSXGOZ-HNNXBMFYSA-N 1 1 322.365 -1.422 20 0 DAADMO Cn1ccc(C[N@H+]2CCO[C@@](C)(CNC(=O)C(N)=O)C2)cc1=O ZINC001108176653 776072718 /nfs/dbraw/zinc/07/27/18/776072718.db2.gz BQQLCVFUBSXGOZ-HNNXBMFYSA-N 1 1 322.365 -1.422 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CN1C(=O)CCC1=O ZINC001273169072 776072926 /nfs/dbraw/zinc/07/29/26/776072926.db2.gz XCKNZKLTIAPYQI-VIFPVBQESA-N 1 1 323.357 -1.657 20 0 DAADMO Cn1ccc(C[N@@H+]2CCO[C@](C)(CNC(=O)C(N)=O)C2)cc1=O ZINC001108176654 776073004 /nfs/dbraw/zinc/07/30/04/776073004.db2.gz BQQLCVFUBSXGOZ-OAHLLOKOSA-N 1 1 322.365 -1.422 20 0 DAADMO Cn1ccc(C[N@H+]2CCO[C@](C)(CNC(=O)C(N)=O)C2)cc1=O ZINC001108176654 776073013 /nfs/dbraw/zinc/07/30/13/776073013.db2.gz BQQLCVFUBSXGOZ-OAHLLOKOSA-N 1 1 322.365 -1.422 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cccnn1 ZINC001083881068 776073214 /nfs/dbraw/zinc/07/32/14/776073214.db2.gz LOPORVMLZNPFDB-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cccnn1 ZINC001083881068 776073223 /nfs/dbraw/zinc/07/32/23/776073223.db2.gz LOPORVMLZNPFDB-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099689680 776075069 /nfs/dbraw/zinc/07/50/69/776075069.db2.gz HQENYUJRJOBVCO-CHWSQXEVSA-N 1 1 317.386 -1.975 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090279307 776077081 /nfs/dbraw/zinc/07/70/81/776077081.db2.gz KJQFILBPPZXTFP-VHSXEESVSA-N 1 1 312.374 -1.415 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC3(C2)CC[N@@H+](C)C3)NC1=O ZINC001273177385 776077254 /nfs/dbraw/zinc/07/72/54/776077254.db2.gz LXSUEPIKUUOOHS-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067925 776077389 /nfs/dbraw/zinc/07/73/89/776077389.db2.gz WWQGNYGEBHAETF-UWVGGRQHSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067925 776077394 /nfs/dbraw/zinc/07/73/94/776077394.db2.gz WWQGNYGEBHAETF-UWVGGRQHSA-N 1 1 316.358 -2.872 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099690835 776079033 /nfs/dbraw/zinc/07/90/33/776079033.db2.gz VTZUKAORYYWRBC-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099690835 776079037 /nfs/dbraw/zinc/07/90/37/776079037.db2.gz VTZUKAORYYWRBC-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099690838 776079127 /nfs/dbraw/zinc/07/91/27/776079127.db2.gz VTZUKAORYYWRBC-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099690838 776079130 /nfs/dbraw/zinc/07/91/30/776079130.db2.gz VTZUKAORYYWRBC-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001090284715 776079155 /nfs/dbraw/zinc/07/91/55/776079155.db2.gz XIWCUAUXSDIHSK-QWRGUYRKSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129291306 776080052 /nfs/dbraw/zinc/08/00/52/776080052.db2.gz SZGPPMLCKDJFRJ-SNVBAGLBSA-N 1 1 309.374 -1.014 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129284030 776081181 /nfs/dbraw/zinc/08/11/81/776081181.db2.gz GOBKMFXXYXDFKP-XQQFMLRXSA-N 1 1 324.385 -1.473 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129284030 776081188 /nfs/dbraw/zinc/08/11/88/776081188.db2.gz GOBKMFXXYXDFKP-XQQFMLRXSA-N 1 1 324.385 -1.473 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083892029 776082783 /nfs/dbraw/zinc/08/27/83/776082783.db2.gz HYLIFMMWPLQAOM-MNOVXSKESA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083892029 776082789 /nfs/dbraw/zinc/08/27/89/776082789.db2.gz HYLIFMMWPLQAOM-MNOVXSKESA-N 1 1 305.342 -1.595 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 ZINC001083896764 776086861 /nfs/dbraw/zinc/08/68/61/776086861.db2.gz QHRAYTFVKUCHKY-XWIASGKRSA-N 1 1 309.370 -1.156 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090294493 776087928 /nfs/dbraw/zinc/08/79/28/776087928.db2.gz YSOVTZMKWLUTEI-NWDGAFQWSA-N 1 1 302.396 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001090295446 776088942 /nfs/dbraw/zinc/08/89/42/776088942.db2.gz NWRCULHCFJNZRP-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cccn2nnnc12 ZINC001090294134 776090971 /nfs/dbraw/zinc/09/09/71/776090971.db2.gz BCYWOQVTZWVFCP-RYUDHWBXSA-N 1 1 320.353 -1.328 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296615 776091246 /nfs/dbraw/zinc/09/12/46/776091246.db2.gz BOYNSZRRVXBGES-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090296615 776091253 /nfs/dbraw/zinc/09/12/53/776091253.db2.gz BOYNSZRRVXBGES-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090297079 776091364 /nfs/dbraw/zinc/09/13/64/776091364.db2.gz GCEIWNQXJOSVMK-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)cn1 ZINC001090297079 776091373 /nfs/dbraw/zinc/09/13/73/776091373.db2.gz GCEIWNQXJOSVMK-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090298480 776092942 /nfs/dbraw/zinc/09/29/42/776092942.db2.gz PWHARMCZOYZGTO-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC001090311930 776093031 /nfs/dbraw/zinc/09/30/31/776093031.db2.gz AXLUOQGGUGNUER-KWQFWETISA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090307504 776093871 /nfs/dbraw/zinc/09/38/71/776093871.db2.gz ASWGMZZLQWLOEG-GHMZBOCLSA-N 1 1 323.390 -1.457 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090307504 776093876 /nfs/dbraw/zinc/09/38/76/776093876.db2.gz ASWGMZZLQWLOEG-GHMZBOCLSA-N 1 1 323.390 -1.457 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090310647 776094797 /nfs/dbraw/zinc/09/47/97/776094797.db2.gz MPQNGMWKBKOXDF-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090310648 776095900 /nfs/dbraw/zinc/09/59/00/776095900.db2.gz MPQNGMWKBKOXDF-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090310950 776095983 /nfs/dbraw/zinc/09/59/83/776095983.db2.gz OPQLIQDWYOCRNS-NEPJUHHUSA-N 1 1 310.354 -1.049 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090310427 776095993 /nfs/dbraw/zinc/09/59/93/776095993.db2.gz MMYXCOMEVUUJGV-NEPJUHHUSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2ccncc12 ZINC001090325416 776096598 /nfs/dbraw/zinc/09/65/98/776096598.db2.gz BMDQXLVTSHBDQN-WCQYABFASA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2ccncc12 ZINC001090325417 776097058 /nfs/dbraw/zinc/09/70/58/776097058.db2.gz BMDQXLVTSHBDQN-YPMHNXCESA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090319763 776097248 /nfs/dbraw/zinc/09/72/48/776097248.db2.gz SHEICSMABDAJRN-AAEUAGOBSA-N 1 1 309.370 -1.301 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090325310 776097265 /nfs/dbraw/zinc/09/72/65/776097265.db2.gz AIDQTCSQUXZOPI-WDEREUQCSA-N 1 1 301.343 -2.611 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090325308 776097390 /nfs/dbraw/zinc/09/73/90/776097390.db2.gz AIDQTCSQUXZOPI-QWRGUYRKSA-N 1 1 301.343 -2.611 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083919430 776097500 /nfs/dbraw/zinc/09/75/00/776097500.db2.gz WTTIMPZIDVLPNA-MNOVXSKESA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090325391 776097791 /nfs/dbraw/zinc/09/77/91/776097791.db2.gz BGHJZUGWSZEHHH-GHMZBOCLSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090325391 776097793 /nfs/dbraw/zinc/09/77/93/776097793.db2.gz BGHJZUGWSZEHHH-GHMZBOCLSA-N 1 1 303.334 -1.634 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001099696075 776097913 /nfs/dbraw/zinc/09/79/13/776097913.db2.gz STFOXQXBKXAGAP-WCQYABFASA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2ccncc12 ZINC001090325415 776098019 /nfs/dbraw/zinc/09/80/19/776098019.db2.gz BMDQXLVTSHBDQN-DGCLKSJQSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2ccnn21 ZINC001090321724 776098162 /nfs/dbraw/zinc/09/81/62/776098162.db2.gz HVXITGAWUKVYFC-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327530 776099570 /nfs/dbraw/zinc/09/95/70/776099570.db2.gz SCORIYXREKJKSR-CMPLNLGQSA-N 1 1 320.353 -1.100 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327427 776100493 /nfs/dbraw/zinc/10/04/93/776100493.db2.gz RJZQUEUDQDUAHR-MWLCHTKSSA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2ncccc12 ZINC001090332301 776100614 /nfs/dbraw/zinc/10/06/14/776100614.db2.gz VTZZUQFYNOONKI-YPMHNXCESA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnns1 ZINC001099696264 776100640 /nfs/dbraw/zinc/10/06/40/776100640.db2.gz WFJDTPZTLFVNQX-ZJUUUORDSA-N 1 1 316.383 -1.288 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2ncccc12 ZINC001090332300 776100661 /nfs/dbraw/zinc/10/06/61/776100661.db2.gz VTZZUQFYNOONKI-WCQYABFASA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925187 776101224 /nfs/dbraw/zinc/10/12/24/776101224.db2.gz SOLKDFSWAFZDAM-BBBLOLIVSA-N 1 1 314.342 -2.530 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090343220 776101734 /nfs/dbraw/zinc/10/17/34/776101734.db2.gz YBWPUYWLCLVWTI-WDEREUQCSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090343220 776101738 /nfs/dbraw/zinc/10/17/38/776101738.db2.gz YBWPUYWLCLVWTI-WDEREUQCSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090343219 776102305 /nfs/dbraw/zinc/10/23/05/776102305.db2.gz YBWPUYWLCLVWTI-QWRGUYRKSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090343219 776102312 /nfs/dbraw/zinc/10/23/12/776102312.db2.gz YBWPUYWLCLVWTI-QWRGUYRKSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001090357010 776104004 /nfs/dbraw/zinc/10/40/04/776104004.db2.gz AKKYHZZKQIGOLI-QWRGUYRKSA-N 1 1 310.354 -1.456 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083926682 776104120 /nfs/dbraw/zinc/10/41/20/776104120.db2.gz IJYQRIBOUJXJAN-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO COCCn1nccc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090349648 776104148 /nfs/dbraw/zinc/10/41/48/776104148.db2.gz OTCPSCWKQYZVDD-AAEUAGOBSA-N 1 1 312.370 -1.313 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1C ZINC001090357011 776104260 /nfs/dbraw/zinc/10/42/60/776104260.db2.gz AKKYHZZKQIGOLI-WDEREUQCSA-N 1 1 310.354 -1.456 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090348643 776104576 /nfs/dbraw/zinc/10/45/76/776104576.db2.gz FFXNCBIDXXKFKV-QWRGUYRKSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090348643 776104577 /nfs/dbraw/zinc/10/45/77/776104577.db2.gz FFXNCBIDXXKFKV-QWRGUYRKSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@H]3O)nn2c1 ZINC001090350629 776105096 /nfs/dbraw/zinc/10/50/96/776105096.db2.gz XGODCIXNCMWXPJ-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099702705 776111446 /nfs/dbraw/zinc/11/14/46/776111446.db2.gz YJLJKKYEOAUIQO-KGLIPLIRSA-N 1 1 324.381 -1.041 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)CC1=O ZINC001090368429 776113016 /nfs/dbraw/zinc/11/30/16/776113016.db2.gz RFTNGRCACKQYQG-VXGBXAGGSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001090368429 776113020 /nfs/dbraw/zinc/11/30/20/776113020.db2.gz RFTNGRCACKQYQG-VXGBXAGGSA-N 1 1 316.377 -1.719 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099715895 776113035 /nfs/dbraw/zinc/11/30/35/776113035.db2.gz MIIVEOWAPGKSRJ-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099715896 776113396 /nfs/dbraw/zinc/11/33/96/776113396.db2.gz MIIVEOWAPGKSRJ-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001090369328 776114122 /nfs/dbraw/zinc/11/41/22/776114122.db2.gz WTXRJLGVPHBCTP-RYUDHWBXSA-N 1 1 314.386 -2.696 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001090368929 776114800 /nfs/dbraw/zinc/11/48/00/776114800.db2.gz TVVLMMILKMNNIK-OLZOCXBDSA-N 1 1 309.366 -1.067 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090368951 776114867 /nfs/dbraw/zinc/11/48/67/776114867.db2.gz UDCITULCMMQOAH-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO CCOCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099729147 776117844 /nfs/dbraw/zinc/11/78/44/776117844.db2.gz CSRAXYJLGCZQDO-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001090370440 776118753 /nfs/dbraw/zinc/11/87/53/776118753.db2.gz QQOFTEMRMITUOQ-GHMZBOCLSA-N 1 1 322.369 -1.319 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090372740 776120043 /nfs/dbraw/zinc/12/00/43/776120043.db2.gz YZGILWLCVUOEPM-RYUDHWBXSA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090372740 776120048 /nfs/dbraw/zinc/12/00/48/776120048.db2.gz YZGILWLCVUOEPM-RYUDHWBXSA-N 1 1 320.411 -1.645 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001090372940 776120278 /nfs/dbraw/zinc/12/02/78/776120278.db2.gz BTMZYHFHEKREPL-UWVGGRQHSA-N 1 1 301.322 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001090372940 776120281 /nfs/dbraw/zinc/12/02/81/776120281.db2.gz BTMZYHFHEKREPL-UWVGGRQHSA-N 1 1 301.322 -1.897 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090372311 776120370 /nfs/dbraw/zinc/12/03/70/776120370.db2.gz QVWDKSHHGOZTAP-DGCLKSJQSA-N 1 1 312.370 -1.276 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090372310 776120503 /nfs/dbraw/zinc/12/05/03/776120503.db2.gz QVWDKSHHGOZTAP-AAEUAGOBSA-N 1 1 312.370 -1.276 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001090372942 776120512 /nfs/dbraw/zinc/12/05/12/776120512.db2.gz BTMZYHFHEKREPL-ZJUUUORDSA-N 1 1 301.322 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001090372942 776120513 /nfs/dbraw/zinc/12/05/13/776120513.db2.gz BTMZYHFHEKREPL-ZJUUUORDSA-N 1 1 301.322 -1.897 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001082346635 776120625 /nfs/dbraw/zinc/12/06/25/776120625.db2.gz SEVACCDABGWVNF-JMSVASOKSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099745025 776121741 /nfs/dbraw/zinc/12/17/41/776121741.db2.gz YNMCUBJVEVOWGB-OLZOCXBDSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743628 776121959 /nfs/dbraw/zinc/12/19/59/776121959.db2.gz MRDSGOYZZLFBTC-VHSXEESVSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743628 776121963 /nfs/dbraw/zinc/12/19/63/776121963.db2.gz MRDSGOYZZLFBTC-VHSXEESVSA-N 1 1 314.386 -1.672 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001099744870 776121980 /nfs/dbraw/zinc/12/19/80/776121980.db2.gz XSPUHKPNWYNBNF-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001099744870 776121983 /nfs/dbraw/zinc/12/19/83/776121983.db2.gz XSPUHKPNWYNBNF-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743629 776122013 /nfs/dbraw/zinc/12/20/13/776122013.db2.gz MRDSGOYZZLFBTC-ZJUUUORDSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743629 776122017 /nfs/dbraw/zinc/12/20/17/776122017.db2.gz MRDSGOYZZLFBTC-ZJUUUORDSA-N 1 1 314.386 -1.672 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001090373503 776122510 /nfs/dbraw/zinc/12/25/10/776122510.db2.gz IPDIXZXGKNYQPO-NWDGAFQWSA-N 1 1 309.370 -1.457 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001090373743 776122524 /nfs/dbraw/zinc/12/25/24/776122524.db2.gz KEZKPDAVGVBBIG-GHMZBOCLSA-N 1 1 313.358 -2.484 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743665 776122549 /nfs/dbraw/zinc/12/25/49/776122549.db2.gz NKWNCMKEFCFWHT-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743665 776122556 /nfs/dbraw/zinc/12/25/56/776122556.db2.gz NKWNCMKEFCFWHT-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083935959 776123585 /nfs/dbraw/zinc/12/35/85/776123585.db2.gz VZLGGINGZUGSOV-ZJUUUORDSA-N 1 1 323.357 -2.466 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083935959 776123591 /nfs/dbraw/zinc/12/35/91/776123591.db2.gz VZLGGINGZUGSOV-ZJUUUORDSA-N 1 1 323.357 -2.466 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C[C@H]2O)c1=O ZINC001090376479 776125563 /nfs/dbraw/zinc/12/55/63/776125563.db2.gz XZOOYUGLYKIESO-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099757481 776126038 /nfs/dbraw/zinc/12/60/38/776126038.db2.gz GBMZCHJJSMJNAP-IUCAKERBSA-N 1 1 309.313 -1.305 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757918 776126609 /nfs/dbraw/zinc/12/66/09/776126609.db2.gz LVVNGKSJACYWNR-NXEZZACHSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757918 776126616 /nfs/dbraw/zinc/12/66/16/776126616.db2.gz LVVNGKSJACYWNR-NXEZZACHSA-N 1 1 300.359 -2.062 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090376471 776126697 /nfs/dbraw/zinc/12/66/97/776126697.db2.gz XXXNZTSZEMDBHX-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC001090381867 776127346 /nfs/dbraw/zinc/12/73/46/776127346.db2.gz MSUTXGXCOIVOOF-JQWIXIFHSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC001090380960 776127910 /nfs/dbraw/zinc/12/79/10/776127910.db2.gz HSBIDJFHJGACLK-MWLCHTKSSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001090377614 776128488 /nfs/dbraw/zinc/12/84/88/776128488.db2.gz KPIBPIZGZUNNBS-MWLCHTKSSA-N 1 1 321.337 -1.179 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090385247 776130049 /nfs/dbraw/zinc/13/00/49/776130049.db2.gz PTFGGCRWTSJAKD-QWHCGFSZSA-N 1 1 313.398 -1.067 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)c1 ZINC001099768336 776130456 /nfs/dbraw/zinc/13/04/56/776130456.db2.gz BMWAXJBWUOKQKJ-WCQYABFASA-N 1 1 312.370 -1.406 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001090382309 776130749 /nfs/dbraw/zinc/13/07/49/776130749.db2.gz QNDDSSRBXBXEMF-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001090382309 776130757 /nfs/dbraw/zinc/13/07/57/776130757.db2.gz QNDDSSRBXBXEMF-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001090382309 776130767 /nfs/dbraw/zinc/13/07/67/776130767.db2.gz QNDDSSRBXBXEMF-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001099782917 776135229 /nfs/dbraw/zinc/13/52/29/776135229.db2.gz IHHYGBAAGDQWDV-WDEREUQCSA-N 1 1 313.358 -1.428 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090392892 776135933 /nfs/dbraw/zinc/13/59/33/776135933.db2.gz XHHBHJFUMMDVQX-QWHCGFSZSA-N 1 1 309.366 -1.067 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090390656 776136419 /nfs/dbraw/zinc/13/64/19/776136419.db2.gz JAHRQOXSMOQHPF-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099791152 776137704 /nfs/dbraw/zinc/13/77/04/776137704.db2.gz AMPAUZRLPWNRFR-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099791152 776137711 /nfs/dbraw/zinc/13/77/11/776137711.db2.gz AMPAUZRLPWNRFR-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099791151 776138263 /nfs/dbraw/zinc/13/82/63/776138263.db2.gz AMPAUZRLPWNRFR-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099791151 776138266 /nfs/dbraw/zinc/13/82/66/776138266.db2.gz AMPAUZRLPWNRFR-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083936686 776139435 /nfs/dbraw/zinc/13/94/35/776139435.db2.gz WUVBLPLPJCSCHQ-MNOVXSKESA-N 1 1 322.369 -1.869 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083936686 776139443 /nfs/dbraw/zinc/13/94/43/776139443.db2.gz WUVBLPLPJCSCHQ-MNOVXSKESA-N 1 1 322.369 -1.869 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](O)C1 ZINC001083949126 776140731 /nfs/dbraw/zinc/14/07/31/776140731.db2.gz TUZZFLCHKKIKRQ-PWSUYJOCSA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H](O)C1 ZINC001083949126 776140743 /nfs/dbraw/zinc/14/07/43/776140743.db2.gz TUZZFLCHKKIKRQ-PWSUYJOCSA-N 1 1 320.353 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001083950720 776140915 /nfs/dbraw/zinc/14/09/15/776140915.db2.gz YDIWFTBKRQKSDP-MNOVXSKESA-N 1 1 318.337 -1.398 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953623 776141408 /nfs/dbraw/zinc/14/14/08/776141408.db2.gz YSKDXNKRBVOMAP-UTUOFQBUSA-N 1 1 323.401 -1.787 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001083950532 776141516 /nfs/dbraw/zinc/14/15/16/776141516.db2.gz NSTDNGUVBDBLPK-ZJUUUORDSA-N 1 1 322.325 -2.425 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083952964 776141729 /nfs/dbraw/zinc/14/17/29/776141729.db2.gz BIXMAFKSHNCJCW-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953099 776141786 /nfs/dbraw/zinc/14/17/86/776141786.db2.gz HBFXJJKKRBTWLC-YUTCNCBUSA-N 1 1 324.425 -1.232 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083947948 776142002 /nfs/dbraw/zinc/14/20/02/776142002.db2.gz HUFDXEMLGIVMMF-ZJUUUORDSA-N 1 1 314.342 -2.312 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083948332 776142085 /nfs/dbraw/zinc/14/20/85/776142085.db2.gz XZEZMBHEQNKWQH-BBBLOLIVSA-N 1 1 314.342 -2.578 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083947965 776142299 /nfs/dbraw/zinc/14/22/99/776142299.db2.gz IGVLSFMHIMVBJG-MNOVXSKESA-N 1 1 312.370 -1.302 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3O)n2n1 ZINC001083949203 776142489 /nfs/dbraw/zinc/14/24/89/776142489.db2.gz WGLWBENBGUJQFX-XRNSZHNASA-N 1 1 320.353 -1.412 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1=O ZINC001083948318 776142773 /nfs/dbraw/zinc/14/27/73/776142773.db2.gz XKMIMPVIFNXMJL-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083998747 776144504 /nfs/dbraw/zinc/14/45/04/776144504.db2.gz LMXVQBMOJYPCQO-XQQFMLRXSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001083976944 776147580 /nfs/dbraw/zinc/14/75/80/776147580.db2.gz OFHXCTUNKWZXIN-UTUOFQBUSA-N 1 1 310.354 -1.906 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084028259 776149685 /nfs/dbraw/zinc/14/96/85/776149685.db2.gz OKTXYCJPSQTHTB-WCQGTBRESA-N 1 1 310.354 -1.410 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001084024245 776149814 /nfs/dbraw/zinc/14/98/14/776149814.db2.gz YRLHKRRJHMJMJG-ZJUUUORDSA-N 1 1 312.370 -1.114 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1COc2ccccc2O1 ZINC001084023050 776150348 /nfs/dbraw/zinc/15/03/48/776150348.db2.gz BTSJZWDUZLNNFF-SUNKGSAMSA-N 1 1 308.334 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1COc2ccccc2O1 ZINC001084023050 776150350 /nfs/dbraw/zinc/15/03/50/776150350.db2.gz BTSJZWDUZLNNFF-SUNKGSAMSA-N 1 1 308.334 -1.020 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1=O ZINC001084035753 776151577 /nfs/dbraw/zinc/15/15/77/776151577.db2.gz ABQRSIUVMVJCGU-ZJUUUORDSA-N 1 1 314.342 -2.576 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001084035821 776151704 /nfs/dbraw/zinc/15/17/04/776151704.db2.gz DIKNPXSELQTIBI-MNOVXSKESA-N 1 1 310.354 -1.548 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](O)C1 ZINC001084034375 776151980 /nfs/dbraw/zinc/15/19/80/776151980.db2.gz DUZGTODNOWNMEY-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001084041159 776152718 /nfs/dbraw/zinc/15/27/18/776152718.db2.gz PQPOAVHQUZHZJN-NEPJUHHUSA-N 1 1 314.386 -1.679 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039069 776153008 /nfs/dbraw/zinc/15/30/08/776153008.db2.gz IPZDNSVUYGVTQJ-BBBLOLIVSA-N 1 1 323.353 -1.615 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039069 776153011 /nfs/dbraw/zinc/15/30/11/776153011.db2.gz IPZDNSVUYGVTQJ-BBBLOLIVSA-N 1 1 323.353 -1.615 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035986 776153129 /nfs/dbraw/zinc/15/31/29/776153129.db2.gz LEALPUGSRBIOJX-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035986 776153134 /nfs/dbraw/zinc/15/31/34/776153134.db2.gz LEALPUGSRBIOJX-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035886 776153242 /nfs/dbraw/zinc/15/32/42/776153242.db2.gz GVZBLFAIFHBKBI-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039003 776153773 /nfs/dbraw/zinc/15/37/73/776153773.db2.gz FIORMNYLJWXCDK-YIZRAAEISA-N 1 1 309.326 -2.269 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039003 776153779 /nfs/dbraw/zinc/15/37/79/776153779.db2.gz FIORMNYLJWXCDK-YIZRAAEISA-N 1 1 309.326 -2.269 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)C[C@@H](C1)O2 ZINC001273213326 776154697 /nfs/dbraw/zinc/15/46/97/776154697.db2.gz FODZEBSYPUISGZ-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)C[C@@H](C1)O2 ZINC001273213326 776154698 /nfs/dbraw/zinc/15/46/98/776154698.db2.gz FODZEBSYPUISGZ-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c(=O)n1C ZINC001084012296 776154714 /nfs/dbraw/zinc/15/47/14/776154714.db2.gz LROFCUMVARNXQR-NEPJUHHUSA-N 1 1 309.370 -1.538 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)c(=O)n1C ZINC001084012237 776154981 /nfs/dbraw/zinc/15/49/81/776154981.db2.gz JVVVPZJVOOSIRA-MNOVXSKESA-N 1 1 315.349 -1.589 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001084008728 776155474 /nfs/dbraw/zinc/15/54/74/776155474.db2.gz UMRDQDMVNUBVCV-NEPJUHHUSA-N 1 1 308.338 -1.792 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001084008728 776155478 /nfs/dbraw/zinc/15/54/78/776155478.db2.gz UMRDQDMVNUBVCV-NEPJUHHUSA-N 1 1 308.338 -1.792 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084012390 776155812 /nfs/dbraw/zinc/15/58/12/776155812.db2.gz NPUVDYRJYCBTCP-FRRDWIJNSA-N 1 1 315.370 -2.223 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)C1 ZINC001084077317 776156363 /nfs/dbraw/zinc/15/63/63/776156363.db2.gz OSVWLLHAENLSJJ-GRYCIOLGSA-N 1 1 314.386 -2.386 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)C1 ZINC001084077317 776156365 /nfs/dbraw/zinc/15/63/65/776156365.db2.gz OSVWLLHAENLSJJ-GRYCIOLGSA-N 1 1 314.386 -2.386 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001084081978 776157710 /nfs/dbraw/zinc/15/77/10/776157710.db2.gz WLLMPAGSNXFCHW-MNOVXSKESA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001084081978 776157711 /nfs/dbraw/zinc/15/77/11/776157711.db2.gz WLLMPAGSNXFCHW-MNOVXSKESA-N 1 1 308.338 -1.398 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001084053017 776158772 /nfs/dbraw/zinc/15/87/72/776158772.db2.gz QCAMBAIHHVENKU-TUAOUCFPSA-N 1 1 319.427 -1.856 20 0 DAADMO Cc1noc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052697 776159046 /nfs/dbraw/zinc/15/90/46/776159046.db2.gz DLKVTGHRRKEXQG-UTUOFQBUSA-N 1 1 309.370 -1.009 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001084049081 776159163 /nfs/dbraw/zinc/15/91/63/776159163.db2.gz WWIFMQYGGSWGDR-AXFHLTTASA-N 1 1 315.395 -1.240 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001084051481 776159200 /nfs/dbraw/zinc/15/92/00/776159200.db2.gz NSKWUNPNFKACDG-MNOVXSKESA-N 1 1 310.354 -1.083 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1 ZINC001084048289 776159289 /nfs/dbraw/zinc/15/92/89/776159289.db2.gz NPHMEOZTIWIKNG-OLZOCXBDSA-N 1 1 307.350 -1.057 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC001084053602 776161466 /nfs/dbraw/zinc/16/14/66/776161466.db2.gz DBWPOLZTAOTYBG-TUAOUCFPSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC001084053602 776161471 /nfs/dbraw/zinc/16/14/71/776161471.db2.gz DBWPOLZTAOTYBG-TUAOUCFPSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC001084053602 776161475 /nfs/dbraw/zinc/16/14/75/776161475.db2.gz DBWPOLZTAOTYBG-TUAOUCFPSA-N 1 1 308.386 -1.274 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053187 776161676 /nfs/dbraw/zinc/16/16/76/776161676.db2.gz VVKYPIGFYPXDAP-AXFHLTTASA-N 1 1 309.374 -2.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001084067904 776162576 /nfs/dbraw/zinc/16/25/76/776162576.db2.gz DOSXUDRCHYDSJN-UTUOFQBUSA-N 1 1 317.411 -1.361 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001084067903 776163016 /nfs/dbraw/zinc/16/30/16/776163016.db2.gz DOSXUDRCHYDSJN-TUAOUCFPSA-N 1 1 317.411 -1.361 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001084067813 776163092 /nfs/dbraw/zinc/16/30/92/776163092.db2.gz APODNGQTSKEVAN-MXWKQRLJSA-N 1 1 303.384 -1.751 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001084060105 776163539 /nfs/dbraw/zinc/16/35/39/776163539.db2.gz HQMRWKSQOCTTIY-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084069019 776165328 /nfs/dbraw/zinc/16/53/28/776165328.db2.gz RNEYPTSUKJKTDB-MXWKQRLJSA-N 1 1 305.400 -1.505 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084073261 776165438 /nfs/dbraw/zinc/16/54/38/776165438.db2.gz OCPWMGFQBIPGMB-UTUOFQBUSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084073261 776165441 /nfs/dbraw/zinc/16/54/41/776165441.db2.gz OCPWMGFQBIPGMB-UTUOFQBUSA-N 1 1 301.343 -2.613 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068355 776165470 /nfs/dbraw/zinc/16/54/70/776165470.db2.gz WNMDHPQJDJBQII-AXFHLTTASA-N 1 1 305.400 -1.361 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001084115425 776166863 /nfs/dbraw/zinc/16/68/63/776166863.db2.gz PIKAMMMQIJYVIK-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001084115425 776166867 /nfs/dbraw/zinc/16/68/67/776166867.db2.gz PIKAMMMQIJYVIK-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCCC1=O ZINC001084085502 776168032 /nfs/dbraw/zinc/16/80/32/776168032.db2.gz YKSKNKRSCVZEMA-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090173 776168218 /nfs/dbraw/zinc/16/82/18/776168218.db2.gz NQOMCLLMJPBKPZ-SCZZXKLOSA-N 1 1 312.330 -2.815 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090173 776168222 /nfs/dbraw/zinc/16/82/22/776168222.db2.gz NQOMCLLMJPBKPZ-SCZZXKLOSA-N 1 1 312.330 -2.815 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084121084 776168235 /nfs/dbraw/zinc/16/82/35/776168235.db2.gz WFRXALJPPKGILU-VWYCJHECSA-N 1 1 300.359 -1.927 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001084091054 776169267 /nfs/dbraw/zinc/16/92/67/776169267.db2.gz WMJYJPKXZQNPMT-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001084102841 776169874 /nfs/dbraw/zinc/16/98/74/776169874.db2.gz PSFAHQYROUQCBJ-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097192 776170010 /nfs/dbraw/zinc/17/00/10/776170010.db2.gz IJRGYCZSRABYAX-UMNHJUIQSA-N 1 1 312.370 -1.466 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)n(C)c1=O ZINC001084097059 776170146 /nfs/dbraw/zinc/17/01/46/776170146.db2.gz BBPLMDFYQXAMMB-LOWVWBTDSA-N 1 1 324.381 -1.465 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)n(C)c1=O ZINC001084097536 776170228 /nfs/dbraw/zinc/17/02/28/776170228.db2.gz ZOJZRFWPYUJLPQ-KOLCDFICSA-N 1 1 300.334 -1.142 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132222 776171209 /nfs/dbraw/zinc/17/12/09/776171209.db2.gz MQLPQNZBNGMRCC-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132222 776171211 /nfs/dbraw/zinc/17/12/11/776171211.db2.gz MQLPQNZBNGMRCC-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084128997 776171474 /nfs/dbraw/zinc/17/14/74/776171474.db2.gz CKAUYNHFKFZARK-AEJSXWLSSA-N 1 1 301.318 -1.440 20 0 DAADMO O=C(Cc1cncnc1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099797592 776172691 /nfs/dbraw/zinc/17/26/91/776172691.db2.gz WBKGDBRISZQTKQ-KBPBESRZSA-N 1 1 324.381 -1.421 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292065 776172738 /nfs/dbraw/zinc/17/27/38/776172738.db2.gz TYYFIFICFZRHPL-GHMZBOCLSA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292065 776172741 /nfs/dbraw/zinc/17/27/41/776172741.db2.gz TYYFIFICFZRHPL-GHMZBOCLSA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084288320 776172785 /nfs/dbraw/zinc/17/27/85/776172785.db2.gz QBDJKEFKOLEWMG-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084288320 776172790 /nfs/dbraw/zinc/17/27/90/776172790.db2.gz QBDJKEFKOLEWMG-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099797595 776172820 /nfs/dbraw/zinc/17/28/20/776172820.db2.gz WBKGDBRISZQTKQ-ZIAGYGMSSA-N 1 1 324.381 -1.421 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084291621 776173105 /nfs/dbraw/zinc/17/31/05/776173105.db2.gz CWTFNNCEVSLLTA-GMTAPVOTSA-N 1 1 320.353 -1.595 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084291621 776173109 /nfs/dbraw/zinc/17/31/09/776173109.db2.gz CWTFNNCEVSLLTA-GMTAPVOTSA-N 1 1 320.353 -1.595 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001084307872 776173707 /nfs/dbraw/zinc/17/37/07/776173707.db2.gz ZNPWOZPIRZEKQV-UFGOTCBOSA-N 1 1 308.382 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001084307872 776173713 /nfs/dbraw/zinc/17/37/13/776173713.db2.gz ZNPWOZPIRZEKQV-UFGOTCBOSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084370265 776174898 /nfs/dbraw/zinc/17/48/98/776174898.db2.gz QXMWQPQGJBKUEC-CKYFFXLPSA-N 1 1 302.396 -1.056 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084370265 776174904 /nfs/dbraw/zinc/17/49/04/776174904.db2.gz QXMWQPQGJBKUEC-CKYFFXLPSA-N 1 1 302.396 -1.056 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084347365 776175677 /nfs/dbraw/zinc/17/56/77/776175677.db2.gz OHVZAUHHPCYXQA-OUAUKWLOSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084347365 776175683 /nfs/dbraw/zinc/17/56/83/776175683.db2.gz OHVZAUHHPCYXQA-OUAUKWLOSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084348116 776176112 /nfs/dbraw/zinc/17/61/12/776176112.db2.gz QMZBZUQKIDVPLK-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084348116 776176117 /nfs/dbraw/zinc/17/61/17/776176117.db2.gz QMZBZUQKIDVPLK-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467074 776176573 /nfs/dbraw/zinc/17/65/73/776176573.db2.gz PLPUYWREWOTUKD-IJLUTSLNSA-N 1 1 309.370 -1.505 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410757 776176645 /nfs/dbraw/zinc/17/66/45/776176645.db2.gz VRXSHLBDRFUCAW-JHJVBQTASA-N 1 1 311.382 -1.241 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001099802526 776176757 /nfs/dbraw/zinc/17/67/57/776176757.db2.gz XGHHKOWEWRIQEC-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001099802526 776176762 /nfs/dbraw/zinc/17/67/62/776176762.db2.gz XGHHKOWEWRIQEC-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467075 776176960 /nfs/dbraw/zinc/17/69/60/776176960.db2.gz PLPUYWREWOTUKD-QJPTWQEYSA-N 1 1 309.370 -1.505 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001084493819 776177211 /nfs/dbraw/zinc/17/72/11/776177211.db2.gz FCBSXBYKBOPFFI-IJLUTSLNSA-N 1 1 322.365 -1.138 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084389793 776177438 /nfs/dbraw/zinc/17/74/38/776177438.db2.gz RABSZDVUTIHGHI-VXGBXAGGSA-N 1 1 317.411 -1.453 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084410755 776177839 /nfs/dbraw/zinc/17/78/39/776177839.db2.gz VREMBKIIZNNFMH-CHWSQXEVSA-N 1 1 311.382 -1.240 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084466794 776177968 /nfs/dbraw/zinc/17/79/68/776177968.db2.gz AHIBHWLMDROEIJ-VXGBXAGGSA-N 1 1 309.370 -1.239 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001084463815 776178120 /nfs/dbraw/zinc/17/81/20/776178120.db2.gz GRZZDEUQHWRVDK-BFHYXJOUSA-N 1 1 324.425 -1.326 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410058 776178182 /nfs/dbraw/zinc/17/81/82/776178182.db2.gz VUUDLOUOXRXEQO-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410058 776178185 /nfs/dbraw/zinc/17/81/85/776178185.db2.gz VUUDLOUOXRXEQO-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467047 776178427 /nfs/dbraw/zinc/17/84/27/776178427.db2.gz ONAYKXXVYVDNSR-GMTAPVOTSA-N 1 1 322.369 -2.012 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467047 776178433 /nfs/dbraw/zinc/17/84/33/776178433.db2.gz ONAYKXXVYVDNSR-GMTAPVOTSA-N 1 1 322.369 -2.012 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084540530 776179241 /nfs/dbraw/zinc/17/92/41/776179241.db2.gz IFZZBOLHWOLPBW-KGYLQXTDSA-N 1 1 319.365 -1.110 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084576387 776179610 /nfs/dbraw/zinc/17/96/10/776179610.db2.gz DBYNIJOQJYDVOI-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084576388 776179699 /nfs/dbraw/zinc/17/96/99/776179699.db2.gz DBYNIJOQJYDVOI-JHJVBQTASA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001084545788 776180346 /nfs/dbraw/zinc/18/03/46/776180346.db2.gz YWBRYPZOGFIIQK-YNEHKIRRSA-N 1 1 323.397 -1.115 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001084575602 776180707 /nfs/dbraw/zinc/18/07/07/776180707.db2.gz LBNZCJLQSHRSKG-RAIGVLPGSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001084575602 776180714 /nfs/dbraw/zinc/18/07/14/776180714.db2.gz LBNZCJLQSHRSKG-RAIGVLPGSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001084575823 776180823 /nfs/dbraw/zinc/18/08/23/776180823.db2.gz QZKOEEZKBFDHKX-FRRDWIJNSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001084575823 776180829 /nfs/dbraw/zinc/18/08/29/776180829.db2.gz QZKOEEZKBFDHKX-FRRDWIJNSA-N 1 1 320.393 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620286 776181387 /nfs/dbraw/zinc/18/13/87/776181387.db2.gz FTSMJIVSBLIXQQ-GMTAPVOTSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620286 776181394 /nfs/dbraw/zinc/18/13/94/776181394.db2.gz FTSMJIVSBLIXQQ-GMTAPVOTSA-N 1 1 309.370 -1.711 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)n1 ZINC001084624319 776182673 /nfs/dbraw/zinc/18/26/73/776182673.db2.gz MMCZFZYPAPLJPI-VXGBXAGGSA-N 1 1 306.370 -1.087 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)n1 ZINC001084624319 776182674 /nfs/dbraw/zinc/18/26/74/776182674.db2.gz MMCZFZYPAPLJPI-VXGBXAGGSA-N 1 1 306.370 -1.087 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099809732 776183156 /nfs/dbraw/zinc/18/31/56/776183156.db2.gz LTPHXWGULUSJRV-RYUDHWBXSA-N 1 1 304.387 -1.292 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099809517 776183885 /nfs/dbraw/zinc/18/38/85/776183885.db2.gz ITFRMTWCXUAUMA-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099809517 776183888 /nfs/dbraw/zinc/18/38/88/776183888.db2.gz ITFRMTWCXUAUMA-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084625955 776183933 /nfs/dbraw/zinc/18/39/33/776183933.db2.gz VVGUJARREYPOJK-OUAUKWLOSA-N 1 1 306.366 -1.327 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084625955 776183936 /nfs/dbraw/zinc/18/39/36/776183936.db2.gz VVGUJARREYPOJK-OUAUKWLOSA-N 1 1 306.366 -1.327 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099812824 776184164 /nfs/dbraw/zinc/18/41/64/776184164.db2.gz HVHIMOYATMFCIG-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099812826 776184255 /nfs/dbraw/zinc/18/42/55/776184255.db2.gz HVHIMOYATMFCIG-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084626556 776184394 /nfs/dbraw/zinc/18/43/94/776184394.db2.gz WNQHGCQSBXXXIL-NXEZZACHSA-N 1 1 308.338 -1.847 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084626556 776184397 /nfs/dbraw/zinc/18/43/97/776184397.db2.gz WNQHGCQSBXXXIL-NXEZZACHSA-N 1 1 308.338 -1.847 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099811988 776184442 /nfs/dbraw/zinc/18/44/42/776184442.db2.gz ATGNUBBDWCUFJB-RYUDHWBXSA-N 1 1 312.370 -1.108 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099815881 776185900 /nfs/dbraw/zinc/18/59/00/776185900.db2.gz NPOFJEIYYCXQFW-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099815881 776185904 /nfs/dbraw/zinc/18/59/04/776185904.db2.gz NPOFJEIYYCXQFW-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813468 776186001 /nfs/dbraw/zinc/18/60/01/776186001.db2.gz PJPHOVGLKUIOLD-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719938 776186089 /nfs/dbraw/zinc/18/60/89/776186089.db2.gz TZPAIXYOEGFQIZ-HOSYDEDBSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737908 776186174 /nfs/dbraw/zinc/18/61/74/776186174.db2.gz HPKYLQGKXUHSDX-HBNTYKKESA-N 1 1 307.358 -1.530 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737908 776186178 /nfs/dbraw/zinc/18/61/78/776186178.db2.gz HPKYLQGKXUHSDX-HBNTYKKESA-N 1 1 307.358 -1.530 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090401728 776187584 /nfs/dbraw/zinc/18/75/84/776187584.db2.gz CUEIDCQVWIKBSJ-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[N@H+](C[C@@H](C)O)C[C@H]32)c(=O)n1C ZINC001084805701 776187944 /nfs/dbraw/zinc/18/79/44/776187944.db2.gz ATBXWNIOLBQDOA-RAIGVLPGSA-N 1 1 323.397 -1.196 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084841947 776189466 /nfs/dbraw/zinc/18/94/66/776189466.db2.gz TVWANSVJOKTVMY-MCIONIFRSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)C1 ZINC001084844435 776189506 /nfs/dbraw/zinc/18/95/06/776189506.db2.gz SVJBFBUKFYCVLF-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)C1 ZINC001084844435 776189518 /nfs/dbraw/zinc/18/95/18/776189518.db2.gz SVJBFBUKFYCVLF-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001084814611 776189664 /nfs/dbraw/zinc/18/96/64/776189664.db2.gz OCKHEAHZDMKNHG-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001084814611 776189672 /nfs/dbraw/zinc/18/96/72/776189672.db2.gz OCKHEAHZDMKNHG-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)C1 ZINC001084844434 776189918 /nfs/dbraw/zinc/18/99/18/776189918.db2.gz SVJBFBUKFYCVLF-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NC)C[C@H]32)C1 ZINC001084844434 776189923 /nfs/dbraw/zinc/18/99/23/776189923.db2.gz SVJBFBUKFYCVLF-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001084818728 776190004 /nfs/dbraw/zinc/19/00/04/776190004.db2.gz PRTZFBKXEOFTMS-QJPTWQEYSA-N 1 1 324.381 -1.206 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1=O ZINC001084818698 776190201 /nfs/dbraw/zinc/19/02/01/776190201.db2.gz OEPQUENKBWPFEH-GHMZBOCLSA-N 1 1 310.354 -1.595 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084838312 776190237 /nfs/dbraw/zinc/19/02/37/776190237.db2.gz DGGRMMDIVHEOQS-OUAUKWLOSA-N 1 1 303.384 -1.797 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099833542 776190552 /nfs/dbraw/zinc/19/05/52/776190552.db2.gz XUUNUCHMCOXBBU-VHSXEESVSA-N 1 1 309.388 -2.531 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084838311 776190761 /nfs/dbraw/zinc/19/07/61/776190761.db2.gz DGGRMMDIVHEOQS-GMTAPVOTSA-N 1 1 303.384 -1.797 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099835166 776191032 /nfs/dbraw/zinc/19/10/32/776191032.db2.gz DGGZPCAJLINYQF-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099835166 776191037 /nfs/dbraw/zinc/19/10/37/776191037.db2.gz DGGZPCAJLINYQF-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099838569 776191833 /nfs/dbraw/zinc/19/18/33/776191833.db2.gz OYHYNFUNBQLCIP-MNOVXSKESA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099838262 776192606 /nfs/dbraw/zinc/19/26/06/776192606.db2.gz KVNGBODUKUSRNG-QWHCGFSZSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001084857357 776192709 /nfs/dbraw/zinc/19/27/09/776192709.db2.gz YAARJZZQUIAYJF-HBNTYKKESA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001084857357 776192711 /nfs/dbraw/zinc/19/27/11/776192711.db2.gz YAARJZZQUIAYJF-HBNTYKKESA-N 1 1 321.381 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 ZINC001084919829 776193885 /nfs/dbraw/zinc/19/38/85/776193885.db2.gz PROSSABLILGLQM-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 ZINC001084919829 776193892 /nfs/dbraw/zinc/19/38/92/776193892.db2.gz PROSSABLILGLQM-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084925036 776193976 /nfs/dbraw/zinc/19/39/76/776193976.db2.gz HFGVPFBZSCWHDI-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084925036 776193978 /nfs/dbraw/zinc/19/39/78/776193978.db2.gz HFGVPFBZSCWHDI-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844065 776194369 /nfs/dbraw/zinc/19/43/69/776194369.db2.gz BGETYEASCUEELA-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844065 776194372 /nfs/dbraw/zinc/19/43/72/776194372.db2.gz BGETYEASCUEELA-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001090399948 776195484 /nfs/dbraw/zinc/19/54/84/776195484.db2.gz QHURORJURZFTPS-YPMHNXCESA-N 1 1 324.381 -1.065 20 0 DAADMO COC1(OC)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001119906679 776195507 /nfs/dbraw/zinc/19/55/07/776195507.db2.gz FPZVAIUSYKMDQD-NSHDSACASA-N 1 1 313.354 -1.360 20 0 DAADMO COC1(OC)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001119906679 776195509 /nfs/dbraw/zinc/19/55/09/776195509.db2.gz FPZVAIUSYKMDQD-NSHDSACASA-N 1 1 313.354 -1.360 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099861588 776195548 /nfs/dbraw/zinc/19/55/48/776195548.db2.gz WERAKRSFUKNALQ-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099860375 776195631 /nfs/dbraw/zinc/19/56/31/776195631.db2.gz ASOLERPJZWOWIB-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001085005282 776197362 /nfs/dbraw/zinc/19/73/62/776197362.db2.gz OLGAUORWJRJNMO-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO COCC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CCOCC1 ZINC001099867495 776197579 /nfs/dbraw/zinc/19/75/79/776197579.db2.gz XMGGRNYGXZPNOI-STQMWFEESA-N 1 1 316.398 -1.027 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099861838 776197943 /nfs/dbraw/zinc/19/79/43/776197943.db2.gz ZKKCEKCCWKYHLI-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CCOCC1 ZINC001099867494 776198481 /nfs/dbraw/zinc/19/84/81/776198481.db2.gz XMGGRNYGXZPNOI-QWHCGFSZSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(CCCn1ccnn1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099869277 776199200 /nfs/dbraw/zinc/19/92/00/776199200.db2.gz MOVALNYFWBSGJL-STQMWFEESA-N 1 1 311.386 -1.008 20 0 DAADMO C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CCNC1=O ZINC001085030791 776199407 /nfs/dbraw/zinc/19/94/07/776199407.db2.gz SMLZERMBOURKGU-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]1(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CCNC1=O ZINC001085030791 776199423 /nfs/dbraw/zinc/19/94/23/776199423.db2.gz SMLZERMBOURKGU-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001085058469 776199770 /nfs/dbraw/zinc/19/97/70/776199770.db2.gz YUZUGNSOUOQDEB-UTUOFQBUSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085089540 776200075 /nfs/dbraw/zinc/20/00/75/776200075.db2.gz KARTVZMYNCGYFT-UTUOFQBUSA-N 1 1 324.381 -1.110 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154601655 776204050 /nfs/dbraw/zinc/20/40/50/776204050.db2.gz CYOPVULBFIYBJJ-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001085199321 776204456 /nfs/dbraw/zinc/20/44/56/776204456.db2.gz GKSQCMFSGXAKHP-NXEZZACHSA-N 1 1 320.361 -1.586 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)n1 ZINC001085300490 776206519 /nfs/dbraw/zinc/20/65/19/776206519.db2.gz WJNOGEMVSRPQEK-RKDXNWHRSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1cc(OCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001099971226 776207550 /nfs/dbraw/zinc/20/75/50/776207550.db2.gz CYICJIQWHGAHNJ-STQMWFEESA-N 1 1 312.370 -1.267 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971871 776207627 /nfs/dbraw/zinc/20/76/27/776207627.db2.gz NPIMGNVEBJPQRP-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971871 776207631 /nfs/dbraw/zinc/20/76/31/776207631.db2.gz NPIMGNVEBJPQRP-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973239 776207688 /nfs/dbraw/zinc/20/76/88/776207688.db2.gz AGXTZSBYQAEDNM-IUCAKERBSA-N 1 1 322.387 -3.038 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973239 776207691 /nfs/dbraw/zinc/20/76/91/776207691.db2.gz AGXTZSBYQAEDNM-IUCAKERBSA-N 1 1 322.387 -3.038 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1)C1CC1 ZINC001099973873 776209204 /nfs/dbraw/zinc/20/92/04/776209204.db2.gz KFSFEAFVECUICW-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1)C1CC1 ZINC001099973873 776209210 /nfs/dbraw/zinc/20/92/10/776209210.db2.gz KFSFEAFVECUICW-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973572 776210175 /nfs/dbraw/zinc/21/01/75/776210175.db2.gz FVEKJYRYOZOXOM-YUMQZZPRSA-N 1 1 308.360 -3.428 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973572 776210179 /nfs/dbraw/zinc/21/01/79/776210179.db2.gz FVEKJYRYOZOXOM-YUMQZZPRSA-N 1 1 308.360 -3.428 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001099975264 776210264 /nfs/dbraw/zinc/21/02/64/776210264.db2.gz ZVBFNTOBCSDELD-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO Cn1cc[nH+]c1N1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC000828014955 776211196 /nfs/dbraw/zinc/21/11/96/776211196.db2.gz PEFAGYNEZXDKRE-UHFFFAOYSA-N 1 1 320.397 -1.063 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000828634771 776212615 /nfs/dbraw/zinc/21/26/15/776212615.db2.gz AFSKZCNJXQHWKI-NHYWBVRUSA-N 1 1 312.414 -1.150 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000828637530 776212799 /nfs/dbraw/zinc/21/27/99/776212799.db2.gz YVVWFGGUXVGXIU-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)C(N)=O ZINC001154952458 776213176 /nfs/dbraw/zinc/21/31/76/776213176.db2.gz DCXQAXYFSMQDTE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@@H+](CC(=O)N1CCOCC1)[C@H](C)CNC(=O)C(N)=O ZINC001154952458 776213180 /nfs/dbraw/zinc/21/31/80/776213180.db2.gz DCXQAXYFSMQDTE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085530782 776213859 /nfs/dbraw/zinc/21/38/59/776213859.db2.gz FNIODHVGXDKCCL-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085530782 776213865 /nfs/dbraw/zinc/21/38/65/776213865.db2.gz FNIODHVGXDKCCL-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000828634768 776213923 /nfs/dbraw/zinc/21/39/23/776213923.db2.gz AFSKZCNJXQHWKI-ABAIWWIYSA-N 1 1 312.414 -1.150 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2CO)c(=O)n(C)c1=O ZINC000828716158 776214845 /nfs/dbraw/zinc/21/48/45/776214845.db2.gz KXAYGWFBNBIMJU-RXNFCKPNSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2CO)c(=O)n(C)c1=O ZINC000828716158 776214849 /nfs/dbraw/zinc/21/48/49/776214849.db2.gz KXAYGWFBNBIMJU-RXNFCKPNSA-N 1 1 322.365 -1.768 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1COC(=O)N1 ZINC001085570314 776215000 /nfs/dbraw/zinc/21/50/00/776215000.db2.gz GZYCGMCYMRIYRE-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1COC(=O)N1 ZINC001085570314 776215005 /nfs/dbraw/zinc/21/50/05/776215005.db2.gz GZYCGMCYMRIYRE-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](CO)C1 ZINC000828717627 776215474 /nfs/dbraw/zinc/21/54/74/776215474.db2.gz ZDMAJOKVDATSID-LLVKDONJSA-N 1 1 324.381 -1.014 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](CO)C1 ZINC000828717627 776215478 /nfs/dbraw/zinc/21/54/78/776215478.db2.gz ZDMAJOKVDATSID-LLVKDONJSA-N 1 1 324.381 -1.014 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001085737740 776220547 /nfs/dbraw/zinc/22/05/47/776220547.db2.gz WFCWFEHNNGAWER-PWSUYJOCSA-N 1 1 307.354 -1.110 20 0 DAADMO CN(C[C@@H]1CCN1CC(N)=O)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732060 776221379 /nfs/dbraw/zinc/22/13/79/776221379.db2.gz QGSCBYPRCPYGPB-BWAOXVRWSA-N 1 1 322.409 -1.132 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001085763247 776222050 /nfs/dbraw/zinc/22/20/50/776222050.db2.gz YLOXDYOPLMAXKB-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001085763247 776222054 /nfs/dbraw/zinc/22/20/54/776222054.db2.gz YLOXDYOPLMAXKB-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794147 776226382 /nfs/dbraw/zinc/22/63/82/776226382.db2.gz UVXKHLQKDRVRPV-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085794147 776226388 /nfs/dbraw/zinc/22/63/88/776226388.db2.gz UVXKHLQKDRVRPV-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1 ZINC001280620976 776227202 /nfs/dbraw/zinc/22/72/02/776227202.db2.gz PSVBPMAQBGYGOM-LLVKDONJSA-N 1 1 313.358 -1.447 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273363550 776227916 /nfs/dbraw/zinc/22/79/16/776227916.db2.gz NDNWXMGAYSCTJM-BETUJISGSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085849745 776228207 /nfs/dbraw/zinc/22/82/07/776228207.db2.gz FZJSGKWTMIQXDA-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001085868717 776229302 /nfs/dbraw/zinc/22/93/02/776229302.db2.gz XSEBJZKUMROQRG-VTWZXRTESA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001085881473 776229702 /nfs/dbraw/zinc/22/97/02/776229702.db2.gz GJQXPWPJHHECRF-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001085881473 776229709 /nfs/dbraw/zinc/22/97/09/776229709.db2.gz GJQXPWPJHHECRF-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085867938 776229731 /nfs/dbraw/zinc/22/97/31/776229731.db2.gz AHWHDEYYNZDRIO-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085867938 776229734 /nfs/dbraw/zinc/22/97/34/776229734.db2.gz AHWHDEYYNZDRIO-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085868689 776229924 /nfs/dbraw/zinc/22/99/24/776229924.db2.gz XDVYFJVIGOQECL-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085868689 776229930 /nfs/dbraw/zinc/22/99/30/776229930.db2.gz XDVYFJVIGOQECL-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO C[C@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[N@H+](CCO)CCO1 ZINC001108218999 776230547 /nfs/dbraw/zinc/23/05/47/776230547.db2.gz AEKRRSRINQWWFI-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[N@@H+](CCO)CCO1 ZINC001108218999 776230555 /nfs/dbraw/zinc/23/05/55/776230555.db2.gz AEKRRSRINQWWFI-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001100008614 776231966 /nfs/dbraw/zinc/23/19/66/776231966.db2.gz LIHPGHXKROKWSW-OLZOCXBDSA-N 1 1 311.386 -1.319 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ccnnc1 ZINC001100013546 776233323 /nfs/dbraw/zinc/23/33/23/776233323.db2.gz OVHRQSLAWGQCQV-OLZOCXBDSA-N 1 1 310.354 -1.350 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986592 776234374 /nfs/dbraw/zinc/23/43/74/776234374.db2.gz IHGLLOOJCMVNQW-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986932 776234660 /nfs/dbraw/zinc/23/46/60/776234660.db2.gz PSTWOGFKONELBY-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986931 776234962 /nfs/dbraw/zinc/23/49/62/776234962.db2.gz PSTWOGFKONELBY-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100018189 776235632 /nfs/dbraw/zinc/23/56/32/776235632.db2.gz PXSJEJYGGWEVMY-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC001086067681 776236680 /nfs/dbraw/zinc/23/66/80/776236680.db2.gz KGYKVIOSJHUVFE-DTORHVGOSA-N 1 1 319.373 -1.176 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100021123 776237118 /nfs/dbraw/zinc/23/71/18/776237118.db2.gz YIJXGOUJCCCIAJ-NXEZZACHSA-N 1 1 324.403 -3.074 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001086049417 776237348 /nfs/dbraw/zinc/23/73/48/776237348.db2.gz WOIJQWOIMUQPCM-DTORHVGOSA-N 1 1 317.357 -1.120 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001100026726 776238097 /nfs/dbraw/zinc/23/80/97/776238097.db2.gz HCRKMXAMLFQVOY-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001100026726 776238107 /nfs/dbraw/zinc/23/81/07/776238107.db2.gz HCRKMXAMLFQVOY-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100026787 776238428 /nfs/dbraw/zinc/23/84/28/776238428.db2.gz HYMFFMHQZQZRDK-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100026787 776238435 /nfs/dbraw/zinc/23/84/35/776238435.db2.gz HYMFFMHQZQZRDK-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001100029114 776240644 /nfs/dbraw/zinc/24/06/44/776240644.db2.gz IQRZVKIGZDOQHB-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001100029114 776240647 /nfs/dbraw/zinc/24/06/47/776240647.db2.gz IQRZVKIGZDOQHB-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001086076024 776240676 /nfs/dbraw/zinc/24/06/76/776240676.db2.gz GNVNOJJFBIJDIT-DTORHVGOSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001086112636 776242499 /nfs/dbraw/zinc/24/24/99/776242499.db2.gz SWAXEZRNMDXHBD-AXFHLTTASA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001086135361 776243371 /nfs/dbraw/zinc/24/33/71/776243371.db2.gz BNCWDBPVZPNKMX-YIZRAAEISA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001086135561 776243910 /nfs/dbraw/zinc/24/39/10/776243910.db2.gz LCJVJZWBIRPOGO-PHIMTYICSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccc2ncnn21 ZINC001090404947 776244003 /nfs/dbraw/zinc/24/40/03/776244003.db2.gz VUOWNNIXEXYLHI-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[N@H+](CCO)CCO1 ZINC001108249046 776245483 /nfs/dbraw/zinc/24/54/83/776245483.db2.gz VDHWXDOARMCXBD-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108249046 776245492 /nfs/dbraw/zinc/24/54/92/776245492.db2.gz VDHWXDOARMCXBD-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001100038347 776245741 /nfs/dbraw/zinc/24/57/41/776245741.db2.gz IJXYVJDITGGMNU-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001100038347 776245746 /nfs/dbraw/zinc/24/57/46/776245746.db2.gz IJXYVJDITGGMNU-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001100038347 776245750 /nfs/dbraw/zinc/24/57/50/776245750.db2.gz IJXYVJDITGGMNU-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090405656 776245840 /nfs/dbraw/zinc/24/58/40/776245840.db2.gz YQGQBNXHHKVHEH-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090405656 776245844 /nfs/dbraw/zinc/24/58/44/776245844.db2.gz YQGQBNXHHKVHEH-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086163626 776245942 /nfs/dbraw/zinc/24/59/42/776245942.db2.gz YIYFFXOQQRVIOQ-DTORHVGOSA-N 1 1 305.346 -1.065 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100042236 776250043 /nfs/dbraw/zinc/25/00/43/776250043.db2.gz WEYQGYQEGFWNBH-ZYHUDNBSSA-N 1 1 314.342 -1.102 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100041278 776250021 /nfs/dbraw/zinc/25/00/21/776250021.db2.gz GVMXDBGDBPEVSC-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001100042235 776250190 /nfs/dbraw/zinc/25/01/90/776250190.db2.gz WEYQGYQEGFWNBH-PWSUYJOCSA-N 1 1 314.342 -1.102 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnon1 ZINC001100041344 776250678 /nfs/dbraw/zinc/25/06/78/776250678.db2.gz HYPZPQJFOOXWQU-ONGXEEELSA-N 1 1 300.315 -1.757 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001086228416 776251045 /nfs/dbraw/zinc/25/10/45/776251045.db2.gz LTWLUWLSCVGWTF-PHIMTYICSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001086228416 776251054 /nfs/dbraw/zinc/25/10/54/776251054.db2.gz LTWLUWLSCVGWTF-PHIMTYICSA-N 1 1 322.369 -1.239 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001098416921 776251727 /nfs/dbraw/zinc/25/17/27/776251727.db2.gz QDYCENJQTRWUJH-UHFFFAOYSA-N 1 1 324.385 -1.208 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCO)C[C@H]2O)CC1 ZINC001100050777 776252362 /nfs/dbraw/zinc/25/23/62/776252362.db2.gz MWYTUPMGTRXTLK-ZIAGYGMSSA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001086311269 776253998 /nfs/dbraw/zinc/25/39/98/776253998.db2.gz ANYRKECNLISNKS-GMTAPVOTSA-N 1 1 310.358 -1.390 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086332005 776256883 /nfs/dbraw/zinc/25/68/83/776256883.db2.gz OKWXEKYBXYUGTB-IJLUTSLNSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086332005 776256886 /nfs/dbraw/zinc/25/68/86/776256886.db2.gz OKWXEKYBXYUGTB-IJLUTSLNSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086331799 776257339 /nfs/dbraw/zinc/25/73/39/776257339.db2.gz HQYFWZAKRDTWPJ-IJLUTSLNSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001086392011 776260599 /nfs/dbraw/zinc/26/05/99/776260599.db2.gz SWAXEZRNMDXHBD-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001086395420 776260895 /nfs/dbraw/zinc/26/08/95/776260895.db2.gz GGXJCYHCMBXTEJ-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001086446601 776261753 /nfs/dbraw/zinc/26/17/53/776261753.db2.gz PAFAOKPTKJNGFX-NAKRPEOUSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086450384 776263539 /nfs/dbraw/zinc/26/35/39/776263539.db2.gz SBPAUTMKILVOEL-ZKCHVHJHSA-N 1 1 306.334 -1.968 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001098440792 776265548 /nfs/dbraw/zinc/26/55/48/776265548.db2.gz ODCWYKXLECSNLC-UHFFFAOYSA-N 1 1 322.431 -1.655 20 0 DAADMO C[C@]1(CNC(=O)C2CC(=O)NC(=O)C2)C[N@H+](CCO)CCO1 ZINC001108278380 776265939 /nfs/dbraw/zinc/26/59/39/776265939.db2.gz NJKGMLUZUCAQDX-AWEZNQCLSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@]1(CNC(=O)C2CC(=O)NC(=O)C2)C[N@@H+](CCO)CCO1 ZINC001108278380 776265942 /nfs/dbraw/zinc/26/59/42/776265942.db2.gz NJKGMLUZUCAQDX-AWEZNQCLSA-N 1 1 313.354 -1.761 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001098447236 776269685 /nfs/dbraw/zinc/26/96/85/776269685.db2.gz DOCDAFLUGITFFF-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)c1ncn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001168781234 776273376 /nfs/dbraw/zinc/27/33/76/776273376.db2.gz IBNMFRXKIIEERM-MRVPVSSYSA-N 1 1 323.357 -1.109 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)c1nc[nH]n1)C(=O)NC(=O)NC1CC1 ZINC001168781234 776273379 /nfs/dbraw/zinc/27/33/79/776273379.db2.gz IBNMFRXKIIEERM-MRVPVSSYSA-N 1 1 323.357 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100118123 776273446 /nfs/dbraw/zinc/27/34/46/776273446.db2.gz VUUAUAMUAVWZJJ-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100114588 776274252 /nfs/dbraw/zinc/27/42/52/776274252.db2.gz QJZVVRPCWTYFJY-TZMCWYRMSA-N 1 1 324.381 -1.041 20 0 DAADMO C[C@@H](CNc1nccn2nnnc12)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001108302750 776275847 /nfs/dbraw/zinc/27/58/47/776275847.db2.gz DDHMNHGFGFGQHP-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNc1nccn2nnnc12)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001108302750 776275855 /nfs/dbraw/zinc/27/58/55/776275855.db2.gz DDHMNHGFGFGQHP-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)o1 ZINC001090416621 776275996 /nfs/dbraw/zinc/27/59/96/776275996.db2.gz JKBIMHMDUQTPQY-ZJUUUORDSA-N 1 1 311.338 -1.074 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)Nc1cnccn1 ZINC001168789430 776277614 /nfs/dbraw/zinc/27/76/14/776277614.db2.gz PWLTXYBVVAZTBZ-UHFFFAOYSA-N 1 1 304.314 -1.057 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)Nc1cnccn1 ZINC001168789430 776277620 /nfs/dbraw/zinc/27/76/20/776277620.db2.gz PWLTXYBVVAZTBZ-UHFFFAOYSA-N 1 1 304.314 -1.057 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108354557 776277928 /nfs/dbraw/zinc/27/79/28/776277928.db2.gz LEBUSEDKOLRGLV-OAHLLOKOSA-N 1 1 324.381 -1.249 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108354557 776277933 /nfs/dbraw/zinc/27/79/33/776277933.db2.gz LEBUSEDKOLRGLV-OAHLLOKOSA-N 1 1 324.381 -1.249 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)ccc1=O ZINC001108382036 776278840 /nfs/dbraw/zinc/27/88/40/776278840.db2.gz HAZPQNXSBSZNFV-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)ccc1=O ZINC001108382036 776278848 /nfs/dbraw/zinc/27/88/48/776278848.db2.gz HAZPQNXSBSZNFV-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108386405 776279996 /nfs/dbraw/zinc/27/99/96/776279996.db2.gz DMWLEVWZZFLLII-ZDUSSCGKSA-N 1 1 302.375 -1.102 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108386405 776280003 /nfs/dbraw/zinc/28/00/03/776280003.db2.gz DMWLEVWZZFLLII-ZDUSSCGKSA-N 1 1 302.375 -1.102 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388250 776280402 /nfs/dbraw/zinc/28/04/02/776280402.db2.gz ZZFIQTROMMGZOB-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388250 776280411 /nfs/dbraw/zinc/28/04/11/776280411.db2.gz ZZFIQTROMMGZOB-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[N@H+](CCO)CCO1 ZINC001108401338 776280500 /nfs/dbraw/zinc/28/05/00/776280500.db2.gz PXSWWCLNYVPEAK-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[N@@H+](CCO)CCO1 ZINC001108401338 776280504 /nfs/dbraw/zinc/28/05/04/776280504.db2.gz PXSWWCLNYVPEAK-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001108404630 776280512 /nfs/dbraw/zinc/28/05/12/776280512.db2.gz FSAFYHQNTSJLSV-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001108404630 776280518 /nfs/dbraw/zinc/28/05/18/776280518.db2.gz FSAFYHQNTSJLSV-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](CCOC)CCO1 ZINC001108404865 776280638 /nfs/dbraw/zinc/28/06/38/776280638.db2.gz LWUFDPCFZZYELA-LBPRGKRZSA-N 1 1 323.415 -1.611 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](CCOC)CCO1 ZINC001108404865 776280639 /nfs/dbraw/zinc/28/06/39/776280639.db2.gz LWUFDPCFZZYELA-LBPRGKRZSA-N 1 1 323.415 -1.611 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CCC2=O)C[N@H+](CCO)CCO1 ZINC001108387225 776280654 /nfs/dbraw/zinc/28/06/54/776280654.db2.gz QKJIKRLTPJLIDQ-CQSZACIVSA-N 1 1 313.354 -1.665 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CCC2=O)C[N@@H+](CCO)CCO1 ZINC001108387225 776280657 /nfs/dbraw/zinc/28/06/57/776280657.db2.gz QKJIKRLTPJLIDQ-CQSZACIVSA-N 1 1 313.354 -1.665 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](CCOC)CCO1 ZINC001108404864 776280728 /nfs/dbraw/zinc/28/07/28/776280728.db2.gz LWUFDPCFZZYELA-GFCCVEGCSA-N 1 1 323.415 -1.611 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](CCOC)CCO1 ZINC001108404864 776280730 /nfs/dbraw/zinc/28/07/30/776280730.db2.gz LWUFDPCFZZYELA-GFCCVEGCSA-N 1 1 323.415 -1.611 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388249 776280823 /nfs/dbraw/zinc/28/08/23/776280823.db2.gz ZZFIQTROMMGZOB-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388249 776280828 /nfs/dbraw/zinc/28/08/28/776280828.db2.gz ZZFIQTROMMGZOB-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[N@H+](CCO)CCO1 ZINC001108402942 776281983 /nfs/dbraw/zinc/28/19/83/776281983.db2.gz QYPRHMCKSFHDPM-JQWIXIFHSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108402942 776281986 /nfs/dbraw/zinc/28/19/86/776281986.db2.gz QYPRHMCKSFHDPM-JQWIXIFHSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[N@H+](CCO)CCO1 ZINC001108402941 776282010 /nfs/dbraw/zinc/28/20/10/776282010.db2.gz QYPRHMCKSFHDPM-CMPLNLGQSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108402941 776282013 /nfs/dbraw/zinc/28/20/13/776282013.db2.gz QYPRHMCKSFHDPM-CMPLNLGQSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[N@H+](CCO)CCO1 ZINC001108441805 776285017 /nfs/dbraw/zinc/28/50/17/776285017.db2.gz SMDDIMGXWIQYAD-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[N@@H+](CCO)CCO1 ZINC001108441805 776285024 /nfs/dbraw/zinc/28/50/24/776285024.db2.gz SMDDIMGXWIQYAD-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)CNC(N)=O ZINC001169062597 776285238 /nfs/dbraw/zinc/28/52/38/776285238.db2.gz MIZNIGWKURYYFV-VIFPVBQESA-N 1 1 312.378 -1.357 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 ZINC001108493640 776290871 /nfs/dbraw/zinc/29/08/71/776290871.db2.gz UQLVRPNIHKRNGP-AAEUAGOBSA-N 1 1 311.382 -1.195 20 0 DAADMO COCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](O)COC)C2)C1 ZINC001108492974 776291501 /nfs/dbraw/zinc/29/15/01/776291501.db2.gz CHMFEUJKGKVMHA-ZYHUDNBSSA-N 1 1 315.370 -1.959 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCCS2(=O)=O)nn1 ZINC001129333510 776292963 /nfs/dbraw/zinc/29/29/63/776292963.db2.gz ITACEPQSMOKECT-NSHDSACASA-N 1 1 315.399 -1.012 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001108499366 776293584 /nfs/dbraw/zinc/29/35/84/776293584.db2.gz ZOLDDVMPEJPMDA-GXSJLCMTSA-N 1 1 312.370 -2.095 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115299861 776293606 /nfs/dbraw/zinc/29/36/06/776293606.db2.gz HCNOVCAECCJDSU-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115299861 776293612 /nfs/dbraw/zinc/29/36/12/776293612.db2.gz HCNOVCAECCJDSU-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CNC(N)=O)CC2=O)C1 ZINC001108502505 776294064 /nfs/dbraw/zinc/29/40/64/776294064.db2.gz QISNATFNIQSLPH-DTWKUNHWSA-N 1 1 313.358 -2.563 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CNC(N)=O)CC2=O)C1 ZINC001108502504 776294457 /nfs/dbraw/zinc/29/44/57/776294457.db2.gz QISNATFNIQSLPH-BDAKNGLRSA-N 1 1 313.358 -2.563 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CNC(N)=O)CC2=O)C1 ZINC001108502507 776294523 /nfs/dbraw/zinc/29/45/23/776294523.db2.gz QISNATFNIQSLPH-RKDXNWHRSA-N 1 1 313.358 -2.563 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001108499370 776294548 /nfs/dbraw/zinc/29/45/48/776294548.db2.gz ZOLDDVMPEJPMDA-ONGXEEELSA-N 1 1 312.370 -2.095 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001156349913 776296665 /nfs/dbraw/zinc/29/66/65/776296665.db2.gz URPPZBDSAAPWFF-UHFFFAOYSA-N 1 1 322.369 -1.018 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523539 776298276 /nfs/dbraw/zinc/29/82/76/776298276.db2.gz LPYXJOIWYQLIBJ-NXEZZACHSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108525930 776298337 /nfs/dbraw/zinc/29/83/37/776298337.db2.gz RXWXTYSMJRRWJP-VHSXEESVSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CCNC(=O)NC)CC2=O)C1 ZINC001108540891 776300937 /nfs/dbraw/zinc/30/09/37/776300937.db2.gz JRBNNWWPUPBFMO-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CCS(C)(=O)=O)CC2=O)C1 ZINC001108553093 776301799 /nfs/dbraw/zinc/30/17/99/776301799.db2.gz FQTFDKSWTJWJOY-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108545369 776302626 /nfs/dbraw/zinc/30/26/26/776302626.db2.gz UOLLOALMMUAMBV-VHSXEESVSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C(=O)NCC(F)F)CC2=O)C1 ZINC001108551742 776304539 /nfs/dbraw/zinc/30/45/39/776304539.db2.gz AQBJEWSCJLWMIW-MRVPVSSYSA-N 1 1 318.324 -1.211 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)CC1 ZINC001108568611 776305487 /nfs/dbraw/zinc/30/54/87/776305487.db2.gz YCOOBIHLUQRDLG-SNVBAGLBSA-N 1 1 324.381 -1.964 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108567799 776305896 /nfs/dbraw/zinc/30/58/96/776305896.db2.gz BHDGGQSGBJJPHH-UWVGGRQHSA-N 1 1 324.381 -1.966 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129348510 776306492 /nfs/dbraw/zinc/30/64/92/776306492.db2.gz RGLVHWJVYYCQOW-NEPJUHHUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129348510 776306502 /nfs/dbraw/zinc/30/65/02/776306502.db2.gz RGLVHWJVYYCQOW-NEPJUHHUSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108565878 776307225 /nfs/dbraw/zinc/30/72/25/776307225.db2.gz AXDXZKYLJPOXAT-UWVGGRQHSA-N 1 1 312.370 -1.966 20 0 DAADMO COCCCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108567193 776307376 /nfs/dbraw/zinc/30/73/76/776307376.db2.gz YHZFQFXTBSQLQY-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001169890737 776307393 /nfs/dbraw/zinc/30/73/93/776307393.db2.gz RLRDYANPOZVKEC-MFKMUULPSA-N 1 1 301.343 -1.316 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C(=O)NCC3CC3)CC2=O)C1 ZINC001108583144 776308369 /nfs/dbraw/zinc/30/83/69/776308369.db2.gz JXMWARJRAGWPGK-LLVKDONJSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108581059 776308544 /nfs/dbraw/zinc/30/85/44/776308544.db2.gz GTXPNDBWUNYXEX-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1ccc2c[nH+]c(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc21 ZINC001169969089 776308929 /nfs/dbraw/zinc/30/89/29/776308929.db2.gz AOAYGPAORVIWSB-SANCVJEGSA-N 1 1 310.310 -1.820 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108580226 776309227 /nfs/dbraw/zinc/30/92/27/776309227.db2.gz DBUDHPFFOZJLMZ-NSHDSACASA-N 1 1 321.385 -1.127 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108587753 776309440 /nfs/dbraw/zinc/30/94/40/776309440.db2.gz WHYZOXGKUUYFLA-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108591763 776310150 /nfs/dbraw/zinc/31/01/50/776310150.db2.gz DRJYLMDHXKJHDU-LBPRGKRZSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CS(=O)(=O)NC)CC2=O)C1 ZINC001108590107 776310457 /nfs/dbraw/zinc/31/04/57/776310457.db2.gz GDMOUTRQFHQVAC-VIFPVBQESA-N 1 1 318.399 -2.043 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090420560 776313105 /nfs/dbraw/zinc/31/31/05/776313105.db2.gz OVKNLITVROTNPX-JSGCOSHPSA-N 1 1 309.366 -1.067 20 0 DAADMO Cc1cc(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)[nH]n1 ZINC001156461318 776315670 /nfs/dbraw/zinc/31/56/70/776315670.db2.gz VLBJUQUOTVPQJM-UHFFFAOYSA-N 1 1 317.415 -1.094 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100126198 776315743 /nfs/dbraw/zinc/31/57/43/776315743.db2.gz CWBWLBIRUVWDHS-NXEZZACHSA-N 1 1 302.375 -1.762 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001108906429 776319197 /nfs/dbraw/zinc/31/91/97/776319197.db2.gz HJIHNBBUZIDNOX-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001108906429 776319208 /nfs/dbraw/zinc/31/92/08/776319208.db2.gz HJIHNBBUZIDNOX-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108912830 776319581 /nfs/dbraw/zinc/31/95/81/776319581.db2.gz BGDXDZLHYCIXFQ-RCWTZXSCSA-N 1 1 300.359 -1.617 20 0 DAADMO Cc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2[nH+]ccn2c1 ZINC001169975588 776323036 /nfs/dbraw/zinc/32/30/36/776323036.db2.gz IYMGLGIOUWGMBM-CBLPJQPBSA-N 1 1 309.322 -1.145 20 0 DAADMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1C ZINC001090423468 776325008 /nfs/dbraw/zinc/32/50/08/776325008.db2.gz PZDGRGFWDXIBTM-CMPLNLGQSA-N 1 1 312.370 -1.024 20 0 DAADMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1C ZINC001090423470 776325618 /nfs/dbraw/zinc/32/56/18/776325618.db2.gz PZDGRGFWDXIBTM-PWSUYJOCSA-N 1 1 312.370 -1.024 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109111957 776326925 /nfs/dbraw/zinc/32/69/25/776326925.db2.gz VSZGGCYHUHIECN-KZVJFYERSA-N 1 1 311.342 -1.833 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109111957 776326936 /nfs/dbraw/zinc/32/69/36/776326936.db2.gz VSZGGCYHUHIECN-KZVJFYERSA-N 1 1 311.342 -1.833 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001109192143 776329814 /nfs/dbraw/zinc/32/98/14/776329814.db2.gz GRAMWOSHMGRPOT-RCWTZXSCSA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001109192143 776329824 /nfs/dbraw/zinc/32/98/24/776329824.db2.gz GRAMWOSHMGRPOT-RCWTZXSCSA-N 1 1 322.365 -1.351 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090424135 776330601 /nfs/dbraw/zinc/33/06/01/776330601.db2.gz XCZOWZOASOXCPP-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(N)=O ZINC001109237158 776331401 /nfs/dbraw/zinc/33/14/01/776331401.db2.gz WUBUZZUOEXOZIZ-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(N)=O ZINC001109237158 776331407 /nfs/dbraw/zinc/33/14/07/776331407.db2.gz WUBUZZUOEXOZIZ-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)n1 ZINC001129386938 776331864 /nfs/dbraw/zinc/33/18/64/776331864.db2.gz QYBVPXLYSJUVOK-LLVKDONJSA-N 1 1 321.389 -1.757 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387160 776332309 /nfs/dbraw/zinc/33/23/09/776332309.db2.gz SSUDGLDXLKVBMS-LBPRGKRZSA-N 1 1 320.401 -1.152 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001090424687 776333509 /nfs/dbraw/zinc/33/35/09/776333509.db2.gz GHLXKWSGHCMAGS-VHSXEESVSA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC001090424688 776333733 /nfs/dbraw/zinc/33/37/33/776333733.db2.gz GHLXKWSGHCMAGS-ZJUUUORDSA-N 1 1 306.326 -1.490 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC ZINC001109376110 776335693 /nfs/dbraw/zinc/33/56/93/776335693.db2.gz RHJUFKSNJSTDMX-WYUUTHIRSA-N 1 1 314.386 -1.356 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001109596265 776337831 /nfs/dbraw/zinc/33/78/31/776337831.db2.gz KPCIHMQZEPWUSX-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001109596265 776337839 /nfs/dbraw/zinc/33/78/39/776337839.db2.gz KPCIHMQZEPWUSX-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001109560529 776339197 /nfs/dbraw/zinc/33/91/97/776339197.db2.gz FTBDEDQBHSWHSF-VWYCJHECSA-N 1 1 320.415 -1.592 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001109659992 776340813 /nfs/dbraw/zinc/34/08/13/776340813.db2.gz PWCAODQLIBFMDB-WOPDTQHZSA-N 1 1 311.382 -1.018 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109962293 776343375 /nfs/dbraw/zinc/34/33/75/776343375.db2.gz UMTLDNGNOQOUES-WYUUTHIRSA-N 1 1 321.385 -1.081 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2nccn2c1 ZINC001090430152 776343398 /nfs/dbraw/zinc/34/33/98/776343398.db2.gz JLQKBEAEDBDAGD-RYUDHWBXSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2nccn2c1 ZINC001090430148 776343438 /nfs/dbraw/zinc/34/34/38/776343438.db2.gz JLQKBEAEDBDAGD-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100133615 776343500 /nfs/dbraw/zinc/34/35/00/776343500.db2.gz CVEYCDOVPFKIJF-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100133615 776343508 /nfs/dbraw/zinc/34/35/08/776343508.db2.gz CVEYCDOVPFKIJF-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100133618 776343991 /nfs/dbraw/zinc/34/39/91/776343991.db2.gz CVEYCDOVPFKIJF-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100133618 776344000 /nfs/dbraw/zinc/34/40/00/776344000.db2.gz CVEYCDOVPFKIJF-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109855050 776344901 /nfs/dbraw/zinc/34/49/01/776344901.db2.gz MAAJZVIMUJFUPT-WOPDTQHZSA-N 1 1 322.365 -1.360 20 0 DAADMO COc1coc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)cc1=O ZINC001090431814 776345534 /nfs/dbraw/zinc/34/55/34/776345534.db2.gz CVTUTEPALRNJBM-MWLCHTKSSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001090431814 776345545 /nfs/dbraw/zinc/34/55/45/776345545.db2.gz CVTUTEPALRNJBM-MWLCHTKSSA-N 1 1 312.322 -1.194 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100135881 776345737 /nfs/dbraw/zinc/34/57/37/776345737.db2.gz DFIFZSROXNYRJX-QWHCGFSZSA-N 1 1 312.370 -1.557 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001110004262 776346076 /nfs/dbraw/zinc/34/60/76/776346076.db2.gz FDKCWJAMZJNVKM-BNDIWNMDSA-N 1 1 311.382 -1.006 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 ZINC001090430970 776346527 /nfs/dbraw/zinc/34/65/27/776346527.db2.gz ROCBEPWIZTYAKH-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001090434178 776346753 /nfs/dbraw/zinc/34/67/53/776346753.db2.gz WPVUZLZFNDKQGX-SKDRFNHKSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001090434178 776346760 /nfs/dbraw/zinc/34/67/60/776346760.db2.gz WPVUZLZFNDKQGX-SKDRFNHKSA-N 1 1 311.338 -1.459 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431668 776346965 /nfs/dbraw/zinc/34/69/65/776346965.db2.gz BCBJMQIZLNGCAI-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100135853 776347329 /nfs/dbraw/zinc/34/73/29/776347329.db2.gz CZFGSRGJRBZMMO-QWRGUYRKSA-N 1 1 314.342 -1.448 20 0 DAADMO COCCOCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100140736 776348230 /nfs/dbraw/zinc/34/82/30/776348230.db2.gz AXHHTSPMANDWDR-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001098459735 776349314 /nfs/dbraw/zinc/34/93/14/776349314.db2.gz LPXJVKDKGIRIBR-CQSZACIVSA-N 1 1 317.361 -1.114 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112603093 776350176 /nfs/dbraw/zinc/35/01/76/776350176.db2.gz IAKSBHHBGBLAEH-JSGCOSHPSA-N 1 1 323.397 -1.087 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001090440390 776350336 /nfs/dbraw/zinc/35/03/36/776350336.db2.gz CSJJUFURALYXDQ-PWSUYJOCSA-N 1 1 310.354 -1.408 20 0 DAADMO COCCOC[C@H](O)C[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001112606667 776352371 /nfs/dbraw/zinc/35/23/71/776352371.db2.gz HTIGGSLAHOWRIA-LLVKDONJSA-N 1 1 318.374 -2.177 20 0 DAADMO CC(C)COC[C@@H](O)C[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001112607238 776352434 /nfs/dbraw/zinc/35/24/34/776352434.db2.gz HWTXUQOJIBHOQP-LBPRGKRZSA-N 1 1 316.402 -1.168 20 0 DAADMO Cn1ccc(C[NH+]2CCN(C(=O)CNC(N)=O)CC2)cc1=O ZINC001112608907 776353823 /nfs/dbraw/zinc/35/38/23/776353823.db2.gz PJXPKYSHPKRMEW-UHFFFAOYSA-N 1 1 307.354 -1.302 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@H]3O)cnc21 ZINC001090442018 776354964 /nfs/dbraw/zinc/35/49/64/776354964.db2.gz OHNHCAUVBAOULL-ZYHUDNBSSA-N 1 1 320.353 -1.479 20 0 DAADMO Cc1cc(N2C[C@@H](CNC(=O)CNC(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001112700001 776360187 /nfs/dbraw/zinc/36/01/87/776360187.db2.gz LZMOMZZWCFIOBF-GHMZBOCLSA-N 1 1 322.369 -1.325 20 0 DAADMO CCC(=O)NCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112723965 776364294 /nfs/dbraw/zinc/36/42/94/776364294.db2.gz IGVAPROWAWFDAQ-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112734626 776365135 /nfs/dbraw/zinc/36/51/35/776365135.db2.gz FILUSSGWFOACOA-NSHDSACASA-N 1 1 303.359 -1.970 20 0 DAADMO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100142846 776365710 /nfs/dbraw/zinc/36/57/10/776365710.db2.gz JGWGGOWQAGTWNF-RYUDHWBXSA-N 1 1 324.385 -1.515 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NCC3CC3)CC2)C1 ZINC001112742153 776366943 /nfs/dbraw/zinc/36/69/43/776366943.db2.gz RRXWYHHSGFJFSK-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NCC3CC3)CC2)C1 ZINC001112742153 776366952 /nfs/dbraw/zinc/36/69/52/776366952.db2.gz RRXWYHHSGFJFSK-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CCN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112742257 776367604 /nfs/dbraw/zinc/36/76/04/776367604.db2.gz XBIFOYAXPBHUFM-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112742257 776367614 /nfs/dbraw/zinc/36/76/14/776367614.db2.gz XBIFOYAXPBHUFM-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001112739789 776368661 /nfs/dbraw/zinc/36/86/61/776368661.db2.gz NEZWWVAZDFPEIE-SNVBAGLBSA-N 1 1 313.358 -2.344 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001112739789 776368668 /nfs/dbraw/zinc/36/86/68/776368668.db2.gz NEZWWVAZDFPEIE-SNVBAGLBSA-N 1 1 313.358 -2.344 20 0 DAADMO CCc1nc(N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001112752126 776370873 /nfs/dbraw/zinc/37/08/73/776370873.db2.gz ZRQKWSCTFAOSEE-UWVGGRQHSA-N 1 1 307.354 -1.254 20 0 DAADMO CCNC(=O)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112779306 776374780 /nfs/dbraw/zinc/37/47/80/776374780.db2.gz TWVZAXHHODQNTC-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001112854073 776379382 /nfs/dbraw/zinc/37/93/82/776379382.db2.gz VEPWZVLSLKASQV-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)ncc1=O ZINC001090444140 776381263 /nfs/dbraw/zinc/38/12/63/776381263.db2.gz DIQGTURXLBHVLP-CMPLNLGQSA-N 1 1 310.354 -1.672 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001112885478 776383001 /nfs/dbraw/zinc/38/30/01/776383001.db2.gz ZQBLLFJCDWFENW-NSHDSACASA-N 1 1 320.353 -1.111 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112917657 776383661 /nfs/dbraw/zinc/38/36/61/776383661.db2.gz PGLJKTWVIUGDKQ-GFCCVEGCSA-N 1 1 317.386 -1.757 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001098463081 776388301 /nfs/dbraw/zinc/38/83/01/776388301.db2.gz AXRPXHNDBORNSC-JQWIXIFHSA-N 1 1 314.386 -1.666 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113030174 776388621 /nfs/dbraw/zinc/38/86/21/776388621.db2.gz OEKFPNJHXNUPSX-SNVBAGLBSA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113030173 776388706 /nfs/dbraw/zinc/38/87/06/776388706.db2.gz OEKFPNJHXNUPSX-JTQLQIEISA-N 1 1 300.359 -2.236 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001098463207 776389381 /nfs/dbraw/zinc/38/93/81/776389381.db2.gz FGMQBBLOZUBTPZ-SNVBAGLBSA-N 1 1 313.358 -2.562 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113050462 776389950 /nfs/dbraw/zinc/38/99/50/776389950.db2.gz NGBOVPOASUGKGM-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113050460 776390001 /nfs/dbraw/zinc/39/00/01/776390001.db2.gz NGBOVPOASUGKGM-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013638 776391863 /nfs/dbraw/zinc/39/18/63/776391863.db2.gz PRLCUAQOKSEZIQ-WOFXILAISA-N 1 1 320.353 -1.546 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013638 776391869 /nfs/dbraw/zinc/39/18/69/776391869.db2.gz PRLCUAQOKSEZIQ-WOFXILAISA-N 1 1 320.353 -1.546 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115013362 776392205 /nfs/dbraw/zinc/39/22/05/776392205.db2.gz KWUVIWJEFPDVFX-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC001113156440 776393150 /nfs/dbraw/zinc/39/31/50/776393150.db2.gz FSHQUMXNTCHJKH-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO CC(C)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464921 776393280 /nfs/dbraw/zinc/39/32/80/776393280.db2.gz MNWGYNLNSLIVGU-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001098464120 776393343 /nfs/dbraw/zinc/39/33/43/776393343.db2.gz ZPQNGVLUMJDYAF-LBPRGKRZSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1ccc(C[N@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001098464507 776393820 /nfs/dbraw/zinc/39/38/20/776393820.db2.gz AEUHLMVIBWPFAQ-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO Cn1ccc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)n1 ZINC001098464507 776393830 /nfs/dbraw/zinc/39/38/30/776393830.db2.gz AEUHLMVIBWPFAQ-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001098464119 776394202 /nfs/dbraw/zinc/39/42/02/776394202.db2.gz ZPQNGVLUMJDYAF-GFCCVEGCSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1nncc1C[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464929 776395775 /nfs/dbraw/zinc/39/57/75/776395775.db2.gz MXUVSMFZKHTTCW-UHFFFAOYSA-N 1 1 310.358 -1.914 20 0 DAADMO Cn1nncc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464929 776395787 /nfs/dbraw/zinc/39/57/87/776395787.db2.gz MXUVSMFZKHTTCW-UHFFFAOYSA-N 1 1 310.358 -1.914 20 0 DAADMO CC[C@H](C[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1)OC ZINC001113156732 776395972 /nfs/dbraw/zinc/39/59/72/776395972.db2.gz VSZAYIAXRPFJAN-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001113184613 776397552 /nfs/dbraw/zinc/39/75/52/776397552.db2.gz ORZAXUIVLJEGKE-GFCCVEGCSA-N 1 1 314.386 -2.430 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001113193746 776397960 /nfs/dbraw/zinc/39/79/60/776397960.db2.gz PNTPLYYYOZXPOO-STQMWFEESA-N 1 1 323.397 -1.100 20 0 DAADMO CNC(=O)C1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157495916 776399202 /nfs/dbraw/zinc/39/92/02/776399202.db2.gz OEPPAUMUBCUXFU-CYBMUJFWSA-N 1 1 311.430 -1.279 20 0 DAADMO CNC(=O)C1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157495917 776399589 /nfs/dbraw/zinc/39/95/89/776399589.db2.gz OEPPAUMUBCUXFU-ZDUSSCGKSA-N 1 1 311.430 -1.279 20 0 DAADMO COCCOCC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465403 776400954 /nfs/dbraw/zinc/40/09/54/776400954.db2.gz OBYMMKOBDGWMMA-UHFFFAOYSA-N 1 1 317.386 -1.580 20 0 DAADMO CCn1cc(C[N@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1 ZINC001098465263 776401561 /nfs/dbraw/zinc/40/15/61/776401561.db2.gz GANXRVVHWDXPHT-UHFFFAOYSA-N 1 1 324.385 -1.431 20 0 DAADMO CCn1cc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1 ZINC001098465263 776401564 /nfs/dbraw/zinc/40/15/64/776401564.db2.gz GANXRVVHWDXPHT-UHFFFAOYSA-N 1 1 324.385 -1.431 20 0 DAADMO Cn1cc(C[N@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1 ZINC001098465315 776401580 /nfs/dbraw/zinc/40/15/80/776401580.db2.gz IPLLJYLPXZARSK-UHFFFAOYSA-N 1 1 310.358 -1.914 20 0 DAADMO Cn1cc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1 ZINC001098465315 776401585 /nfs/dbraw/zinc/40/15/85/776401585.db2.gz IPLLJYLPXZARSK-UHFFFAOYSA-N 1 1 310.358 -1.914 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CNC(N)=O ZINC001157523025 776401617 /nfs/dbraw/zinc/40/16/17/776401617.db2.gz XABXCDOLSQBISH-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)co1 ZINC001090450151 776402673 /nfs/dbraw/zinc/40/26/73/776402673.db2.gz UIVAFSWRYLLZQJ-GHMZBOCLSA-N 1 1 311.338 -1.074 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113345908 776404128 /nfs/dbraw/zinc/40/41/28/776404128.db2.gz JNRVQQIXQGWFEY-GHMZBOCLSA-N 1 1 311.386 -1.477 20 0 DAADMO N[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1F ZINC001157536229 776404642 /nfs/dbraw/zinc/40/46/42/776404642.db2.gz JEPQRLYZTLQWKR-MXWKQRLJSA-N 1 1 319.402 -1.092 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001113391419 776405297 /nfs/dbraw/zinc/40/52/97/776405297.db2.gz BUMBTXCJJQTRJN-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001113391420 776406081 /nfs/dbraw/zinc/40/60/81/776406081.db2.gz BUMBTXCJJQTRJN-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001113474247 776410280 /nfs/dbraw/zinc/41/02/80/776410280.db2.gz FCTWPSYJPMOFEU-ZDUSSCGKSA-N 1 1 324.381 -1.215 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1csnn1 ZINC001090452697 776412813 /nfs/dbraw/zinc/41/28/13/776412813.db2.gz OQINKVAYOYQSGP-GXSJLCMTSA-N 1 1 323.382 -1.005 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(=O)NC)CC1 ZINC001113572873 776414537 /nfs/dbraw/zinc/41/45/37/776414537.db2.gz SJWGYYCWGZCWIX-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO NC(=O)NCCC(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001113618951 776415240 /nfs/dbraw/zinc/41/52/40/776415240.db2.gz ASVBSWOONDGASX-NSHDSACASA-N 1 1 321.385 -1.032 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001113634434 776416446 /nfs/dbraw/zinc/41/64/46/776416446.db2.gz CRZHLIGDBSQMGC-JTQLQIEISA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629528 776416456 /nfs/dbraw/zinc/41/64/56/776416456.db2.gz MJNNLKISEXHEEA-NSHDSACASA-N 1 1 311.386 -1.462 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001113637337 776417483 /nfs/dbraw/zinc/41/74/83/776417483.db2.gz PHWOBINONVOFKN-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CCOCCO)CC2)C1 ZINC001113658462 776418032 /nfs/dbraw/zinc/41/80/32/776418032.db2.gz WMAGIOHFTKMRTP-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(CCOCCO)CC2)C1 ZINC001113658462 776418036 /nfs/dbraw/zinc/41/80/36/776418036.db2.gz WMAGIOHFTKMRTP-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679153 776418063 /nfs/dbraw/zinc/41/80/63/776418063.db2.gz FEOVVVFKPITWLN-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCOCCO)CC2)C1 ZINC001113658463 776418114 /nfs/dbraw/zinc/41/81/14/776418114.db2.gz WMAGIOHFTKMRTP-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CCOCCO)CC2)C1 ZINC001113658463 776418118 /nfs/dbraw/zinc/41/81/18/776418118.db2.gz WMAGIOHFTKMRTP-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001113637154 776418204 /nfs/dbraw/zinc/41/82/04/776418204.db2.gz MVVSOWLHWAHTKZ-MNOVXSKESA-N 1 1 321.399 -2.170 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001113637339 776418286 /nfs/dbraw/zinc/41/82/86/776418286.db2.gz PHWOBINONVOFKN-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686496 776419299 /nfs/dbraw/zinc/41/92/99/776419299.db2.gz GXOWJAZJXQDHFT-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001113743338 776421647 /nfs/dbraw/zinc/42/16/47/776421647.db2.gz HODMNGGTVNQYPR-WDEREUQCSA-N 1 1 313.354 -1.809 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001113764074 776421997 /nfs/dbraw/zinc/42/19/97/776421997.db2.gz FBILJVDCQJIIQP-PJXYFTJBSA-N 1 1 317.411 -1.285 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001113770342 776422154 /nfs/dbraw/zinc/42/21/54/776422154.db2.gz RQCTUEZZQZELIN-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001113770342 776422163 /nfs/dbraw/zinc/42/21/63/776422163.db2.gz RQCTUEZZQZELIN-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001113735432 776422304 /nfs/dbraw/zinc/42/23/04/776422304.db2.gz ROVGOZWBUDZMPN-ZDUSSCGKSA-N 1 1 311.386 -1.101 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]21 ZINC001113767451 776422665 /nfs/dbraw/zinc/42/26/65/776422665.db2.gz SXNIFVAWMWLGAP-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113766872 776422704 /nfs/dbraw/zinc/42/27/04/776422704.db2.gz LQYQTXDGXUXGIS-NMKXLXIOSA-N 1 1 302.371 -1.297 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113771736 776422946 /nfs/dbraw/zinc/42/29/46/776422946.db2.gz CMZAADRPDVBHMU-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113771736 776422949 /nfs/dbraw/zinc/42/29/49/776422949.db2.gz CMZAADRPDVBHMU-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113766633 776422968 /nfs/dbraw/zinc/42/29/68/776422968.db2.gz HHMYHPIIZUXXKV-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113766633 776422972 /nfs/dbraw/zinc/42/29/72/776422972.db2.gz HHMYHPIIZUXXKV-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001113766518 776423008 /nfs/dbraw/zinc/42/30/08/776423008.db2.gz DVPPIPTXEKCTRG-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(C)=O)C1=O ZINC001113793478 776423365 /nfs/dbraw/zinc/42/33/65/776423365.db2.gz LDRSCRJDQUVUSS-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001113793172 776423396 /nfs/dbraw/zinc/42/33/96/776423396.db2.gz GZSYTNKZSDJIPZ-UUIJZJDISA-N 1 1 318.381 -1.052 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113787949 776423784 /nfs/dbraw/zinc/42/37/84/776423784.db2.gz WCWBOJXFFYHOMT-JYAVWHMHSA-N 1 1 324.381 -1.972 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113787949 776423789 /nfs/dbraw/zinc/42/37/89/776423789.db2.gz WCWBOJXFFYHOMT-JYAVWHMHSA-N 1 1 324.381 -1.972 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001113787476 776423838 /nfs/dbraw/zinc/42/38/38/776423838.db2.gz NHHSKGGHQFOIMR-JYAVWHMHSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001113787796 776424187 /nfs/dbraw/zinc/42/41/87/776424187.db2.gz SMKQGUYBGXCBGG-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113813767 776424729 /nfs/dbraw/zinc/42/47/29/776424729.db2.gz VSPBKRNFGBTPPA-GDGBQDQQSA-N 1 1 324.337 -1.623 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113813767 776424735 /nfs/dbraw/zinc/42/47/35/776424735.db2.gz VSPBKRNFGBTPPA-GDGBQDQQSA-N 1 1 324.337 -1.623 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113824709 776426434 /nfs/dbraw/zinc/42/64/34/776426434.db2.gz ARDKGOQNAOQUTE-CNABLZDZSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113824709 776426438 /nfs/dbraw/zinc/42/64/38/776426438.db2.gz ARDKGOQNAOQUTE-CNABLZDZSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157716430 776428370 /nfs/dbraw/zinc/42/83/70/776428370.db2.gz NHWIGHDFCHFBGT-QWRGUYRKSA-N 1 1 304.416 -1.413 20 0 DAADMO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157716512 776428408 /nfs/dbraw/zinc/42/84/08/776428408.db2.gz OVTARFYYPSLEIW-SMDDNHRTSA-N 1 1 316.377 -1.150 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833837 776428763 /nfs/dbraw/zinc/42/87/63/776428763.db2.gz KRLGDFKJMCIWHQ-SRRSOLGSSA-N 1 1 321.385 -1.236 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001113834360 776428919 /nfs/dbraw/zinc/42/89/19/776428919.db2.gz UFXJMTXXVBNGSF-JYAVWHMHSA-N 1 1 311.382 -1.336 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834155 776429149 /nfs/dbraw/zinc/42/91/49/776429149.db2.gz PZXXYSFFOUUUHN-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834155 776429155 /nfs/dbraw/zinc/42/91/55/776429155.db2.gz PZXXYSFFOUUUHN-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834339 776429386 /nfs/dbraw/zinc/42/93/86/776429386.db2.gz TWCRPWVUSYJIIR-DCQANWLSSA-N 1 1 321.385 -1.366 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113836377 776430567 /nfs/dbraw/zinc/43/05/67/776430567.db2.gz LQGOQBWPKWLGAR-JZYVYDRUSA-N 1 1 307.441 -1.055 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113836377 776430572 /nfs/dbraw/zinc/43/05/72/776430572.db2.gz LQGOQBWPKWLGAR-JZYVYDRUSA-N 1 1 307.441 -1.055 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842803 776431338 /nfs/dbraw/zinc/43/13/38/776431338.db2.gz ZSQUOTINJATMMK-MIZYBKAJSA-N 1 1 311.386 -1.255 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001113851374 776431428 /nfs/dbraw/zinc/43/14/28/776431428.db2.gz BTPIZAQUUBJRBS-QISWUMQESA-N 1 1 319.369 -1.520 20 0 DAADMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)on1 ZINC001113852438 776431604 /nfs/dbraw/zinc/43/16/04/776431604.db2.gz KHKMGKNPNBIHHL-GDGBQDQQSA-N 1 1 309.326 -1.102 20 0 DAADMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)on1 ZINC001113852438 776431609 /nfs/dbraw/zinc/43/16/09/776431609.db2.gz KHKMGKNPNBIHHL-GDGBQDQQSA-N 1 1 309.326 -1.102 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849399 776432594 /nfs/dbraw/zinc/43/25/94/776432594.db2.gz KSBBGMRIGZDCSJ-QISWUMQESA-N 1 1 311.386 -1.384 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849399 776432596 /nfs/dbraw/zinc/43/25/96/776432596.db2.gz KSBBGMRIGZDCSJ-QISWUMQESA-N 1 1 311.386 -1.384 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113848915 776432676 /nfs/dbraw/zinc/43/26/76/776432676.db2.gz GFMDUAIVXHDBDK-PJXYFTJBSA-N 1 1 306.370 -1.323 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113849509 776432739 /nfs/dbraw/zinc/43/27/39/776432739.db2.gz LBRUAMZIMZLOHH-UVMAFCGOSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001113850433 776433216 /nfs/dbraw/zinc/43/32/16/776433216.db2.gz RZKONKZTEPGPKZ-YABSGUDNSA-N 1 1 323.397 -1.240 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001113850433 776433223 /nfs/dbraw/zinc/43/32/23/776433223.db2.gz RZKONKZTEPGPKZ-YABSGUDNSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850521 776433824 /nfs/dbraw/zinc/43/38/24/776433824.db2.gz ULVXMHKGYLTLHT-YABSGUDNSA-N 1 1 323.397 -1.431 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850521 776433829 /nfs/dbraw/zinc/43/38/29/776433829.db2.gz ULVXMHKGYLTLHT-YABSGUDNSA-N 1 1 323.397 -1.431 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113850710 776433839 /nfs/dbraw/zinc/43/38/39/776433839.db2.gz XLOAEEVBAFYNRI-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@H]1COCCO1 ZINC001113886355 776434782 /nfs/dbraw/zinc/43/47/82/776434782.db2.gz UYFJSDFAYQWFDG-XQHKEYJVSA-N 1 1 300.355 -1.543 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113885119 776434893 /nfs/dbraw/zinc/43/48/93/776434893.db2.gz BLASZWSKSKMKFA-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113885119 776434900 /nfs/dbraw/zinc/43/49/00/776434900.db2.gz BLASZWSKSKMKFA-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113885121 776434928 /nfs/dbraw/zinc/43/49/28/776434928.db2.gz BLASZWSKSKMKFA-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113885121 776434933 /nfs/dbraw/zinc/43/49/33/776434933.db2.gz BLASZWSKSKMKFA-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113885458 776434948 /nfs/dbraw/zinc/43/49/48/776434948.db2.gz HOLYQCIEMINDRD-QCBRBAQYSA-N 1 1 312.326 -2.357 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113885458 776434952 /nfs/dbraw/zinc/43/49/52/776434952.db2.gz HOLYQCIEMINDRD-QCBRBAQYSA-N 1 1 312.326 -2.357 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113886458 776434963 /nfs/dbraw/zinc/43/49/63/776434963.db2.gz WNRUOTBNMAKTGS-VROVMSAKSA-N 1 1 306.326 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113886458 776434970 /nfs/dbraw/zinc/43/49/70/776434970.db2.gz WNRUOTBNMAKTGS-VROVMSAKSA-N 1 1 306.326 -1.475 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113893917 776436149 /nfs/dbraw/zinc/43/61/49/776436149.db2.gz OVDIGWCJCUNIAZ-WYOJIJJFSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113893917 776436156 /nfs/dbraw/zinc/43/61/56/776436156.db2.gz OVDIGWCJCUNIAZ-WYOJIJJFSA-N 1 1 320.353 -1.086 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1 ZINC001113913937 776436573 /nfs/dbraw/zinc/43/65/73/776436573.db2.gz UNHCHWVYHPJZRU-QISWUMQESA-N 1 1 310.354 -1.203 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1 ZINC001113913937 776436578 /nfs/dbraw/zinc/43/65/78/776436578.db2.gz UNHCHWVYHPJZRU-QISWUMQESA-N 1 1 310.354 -1.203 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113894682 776436646 /nfs/dbraw/zinc/43/66/46/776436646.db2.gz WSJLANWAPBCSLE-QHOPCYEYSA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113894682 776436654 /nfs/dbraw/zinc/43/66/54/776436654.db2.gz WSJLANWAPBCSLE-QHOPCYEYSA-N 1 1 306.326 -1.347 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113926109 776436692 /nfs/dbraw/zinc/43/66/92/776436692.db2.gz VFCWFTZOTHQAQA-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113926109 776436696 /nfs/dbraw/zinc/43/66/96/776436696.db2.gz VFCWFTZOTHQAQA-KPCSLPGQSA-N 1 1 310.339 -1.607 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113939671 776437516 /nfs/dbraw/zinc/43/75/16/776437516.db2.gz DQWGBQZQQVXOPE-XZUYRWCXSA-N 1 1 308.382 -1.177 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113938130 776437647 /nfs/dbraw/zinc/43/76/47/776437647.db2.gz PAXYXGWLCKTVRY-GDGBQDQQSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113938130 776437653 /nfs/dbraw/zinc/43/76/53/776437653.db2.gz PAXYXGWLCKTVRY-GDGBQDQQSA-N 1 1 323.353 -2.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113941041 776437724 /nfs/dbraw/zinc/43/77/24/776437724.db2.gz ZQKXNTNGEQIJNE-GOONRYMUSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOC ZINC001113935320 776437942 /nfs/dbraw/zinc/43/79/42/776437942.db2.gz NGTZXMKSGNRIOW-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCOC ZINC001113935320 776437950 /nfs/dbraw/zinc/43/79/50/776437950.db2.gz NGTZXMKSGNRIOW-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC1CC1 ZINC001113929924 776438061 /nfs/dbraw/zinc/43/80/61/776438061.db2.gz UJLICLCSFSTFKL-YABSGUDNSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC1CC1 ZINC001113929924 776438068 /nfs/dbraw/zinc/43/80/68/776438068.db2.gz UJLICLCSFSTFKL-YABSGUDNSA-N 1 1 324.381 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937677 776438114 /nfs/dbraw/zinc/43/81/14/776438114.db2.gz JTRLQPANXAZXNW-CIQGVGRVSA-N 1 1 311.382 -1.434 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113932765 776438133 /nfs/dbraw/zinc/43/81/33/776438133.db2.gz USSFFLRPJRYGQK-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113932765 776438139 /nfs/dbraw/zinc/43/81/39/776438139.db2.gz USSFFLRPJRYGQK-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113945656 776438733 /nfs/dbraw/zinc/43/87/33/776438733.db2.gz WAWPENNNMDHAJU-KIKITERTSA-N 1 1 324.337 -1.806 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113946023 776439012 /nfs/dbraw/zinc/43/90/12/776439012.db2.gz YSJPKBWGKYXEFS-SVDPJWKOSA-N 1 1 301.343 -1.604 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113963081 776440408 /nfs/dbraw/zinc/44/04/08/776440408.db2.gz RJHGQFWMGCWEET-ZNSHCXBVSA-N 1 1 305.400 -1.383 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113963081 776440414 /nfs/dbraw/zinc/44/04/14/776440414.db2.gz RJHGQFWMGCWEET-ZNSHCXBVSA-N 1 1 305.400 -1.383 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114010245 776441909 /nfs/dbraw/zinc/44/19/09/776441909.db2.gz XIOANMORCZNKKA-KLBPJQLPSA-N 1 1 312.370 -1.087 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114010245 776441916 /nfs/dbraw/zinc/44/19/16/776441916.db2.gz XIOANMORCZNKKA-KLBPJQLPSA-N 1 1 312.370 -1.087 20 0 DAADMO CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113990541 776442062 /nfs/dbraw/zinc/44/20/62/776442062.db2.gz QOQDKLORZODPLO-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113990541 776442068 /nfs/dbraw/zinc/44/20/68/776442068.db2.gz QOQDKLORZODPLO-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC001114001705 776442122 /nfs/dbraw/zinc/44/21/22/776442122.db2.gz HCBLHJWOIBNMGA-SVDPJWKOSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC001114001705 776442123 /nfs/dbraw/zinc/44/21/23/776442123.db2.gz HCBLHJWOIBNMGA-SVDPJWKOSA-N 1 1 310.354 -1.346 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113993087 776442386 /nfs/dbraw/zinc/44/23/86/776442386.db2.gz SFNRUQPMQPHQEP-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113993087 776442387 /nfs/dbraw/zinc/44/23/87/776442387.db2.gz SFNRUQPMQPHQEP-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114026935 776443238 /nfs/dbraw/zinc/44/32/38/776443238.db2.gz DMLCVAWQMMQEPB-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114026935 776443243 /nfs/dbraw/zinc/44/32/43/776443243.db2.gz DMLCVAWQMMQEPB-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114027754 776443257 /nfs/dbraw/zinc/44/32/57/776443257.db2.gz LOUFVFKUTWKHRI-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114044370 776443545 /nfs/dbraw/zinc/44/35/45/776443545.db2.gz GEKFBRCXHNSGKY-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114044562 776443614 /nfs/dbraw/zinc/44/36/14/776443614.db2.gz JRVCDNBUWHZSPQ-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114044562 776443617 /nfs/dbraw/zinc/44/36/17/776443617.db2.gz JRVCDNBUWHZSPQ-WYUUTHIRSA-N 1 1 319.427 -1.136 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)no1 ZINC001114056689 776444168 /nfs/dbraw/zinc/44/41/68/776444168.db2.gz ACBOPOPGEPRMRV-IWIIMEHWSA-N 1 1 321.337 -1.233 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)no1 ZINC001114056689 776444176 /nfs/dbraw/zinc/44/41/76/776444176.db2.gz ACBOPOPGEPRMRV-IWIIMEHWSA-N 1 1 321.337 -1.233 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114072074 776445588 /nfs/dbraw/zinc/44/55/88/776445588.db2.gz MMPXALGFQDGBGE-NMKXLXIOSA-N 1 1 302.371 -1.297 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114060054 776446160 /nfs/dbraw/zinc/44/61/60/776446160.db2.gz FUWXLVBQIQRGIQ-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001114058552 776446168 /nfs/dbraw/zinc/44/61/68/776446168.db2.gz VVZKVDBNFPVUPT-IAZYJMLFSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001114058552 776446172 /nfs/dbraw/zinc/44/61/72/776446172.db2.gz VVZKVDBNFPVUPT-IAZYJMLFSA-N 1 1 320.353 -1.242 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114060172 776446181 /nfs/dbraw/zinc/44/61/81/776446181.db2.gz ICNDAHXBBCNLSJ-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC001114085891 776446585 /nfs/dbraw/zinc/44/65/85/776446585.db2.gz NSGRJSNMMVGISE-QISWUMQESA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC001114085891 776446594 /nfs/dbraw/zinc/44/65/94/776446594.db2.gz NSGRJSNMMVGISE-QISWUMQESA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114080471 776446750 /nfs/dbraw/zinc/44/67/50/776446750.db2.gz RUZKZVMDRGWLHT-GDGBQDQQSA-N 1 1 307.310 -1.542 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114080471 776446757 /nfs/dbraw/zinc/44/67/57/776446757.db2.gz RUZKZVMDRGWLHT-GDGBQDQQSA-N 1 1 307.310 -1.542 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114079099 776447008 /nfs/dbraw/zinc/44/70/08/776447008.db2.gz BYILTNQMFOFLFA-IWIIMEHWSA-N 1 1 321.337 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114079099 776447011 /nfs/dbraw/zinc/44/70/11/776447011.db2.gz BYILTNQMFOFLFA-IWIIMEHWSA-N 1 1 321.337 -1.281 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098254 776447859 /nfs/dbraw/zinc/44/78/59/776447859.db2.gz FXWFVJCZVWHEBL-GDGBQDQQSA-N 1 1 318.399 -2.153 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098254 776447863 /nfs/dbraw/zinc/44/78/63/776447863.db2.gz FXWFVJCZVWHEBL-GDGBQDQQSA-N 1 1 318.399 -2.153 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001114097988 776448053 /nfs/dbraw/zinc/44/80/53/776448053.db2.gz BOLOMOFOVBOWJJ-OZWUEAAUSA-N 1 1 308.382 -1.176 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114099451 776448241 /nfs/dbraw/zinc/44/82/41/776448241.db2.gz XGIKQTJXYCOGJJ-IWIIMEHWSA-N 1 1 311.386 -1.384 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114099168 776448309 /nfs/dbraw/zinc/44/83/09/776448309.db2.gz RJVPXWKEQLYIDW-YABSGUDNSA-N 1 1 312.370 -1.939 20 0 DAADMO COc1nccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114093702 776448925 /nfs/dbraw/zinc/44/89/25/776448925.db2.gz UFZRMWMALAAOIZ-IWIIMEHWSA-N 1 1 305.338 -1.093 20 0 DAADMO COc1nccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114093702 776448932 /nfs/dbraw/zinc/44/89/32/776448932.db2.gz UFZRMWMALAAOIZ-IWIIMEHWSA-N 1 1 305.338 -1.093 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001114093194 776449091 /nfs/dbraw/zinc/44/90/91/776449091.db2.gz KONVTCFNKSTDBT-HBYGRHMLSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001114093194 776449095 /nfs/dbraw/zinc/44/90/95/776449095.db2.gz KONVTCFNKSTDBT-HBYGRHMLSA-N 1 1 324.381 -1.797 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100993 776449328 /nfs/dbraw/zinc/44/93/28/776449328.db2.gz HPTDADVRJWWCNE-LEQIOUOKSA-N 1 1 311.342 -2.248 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100993 776449334 /nfs/dbraw/zinc/44/93/34/776449334.db2.gz HPTDADVRJWWCNE-LEQIOUOKSA-N 1 1 311.342 -2.248 20 0 DAADMO COCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093469 776449457 /nfs/dbraw/zinc/44/94/57/776449457.db2.gz PRWUFFIAIMNODX-MSRIBSCDSA-N 1 1 312.370 -1.939 20 0 DAADMO COCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093469 776449463 /nfs/dbraw/zinc/44/94/63/776449463.db2.gz PRWUFFIAIMNODX-MSRIBSCDSA-N 1 1 312.370 -1.939 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001114136175 776450341 /nfs/dbraw/zinc/45/03/41/776450341.db2.gz DGHHYCLBTWSUEZ-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001114136175 776450346 /nfs/dbraw/zinc/45/03/46/776450346.db2.gz DGHHYCLBTWSUEZ-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO Cc1ncoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114103333 776450625 /nfs/dbraw/zinc/45/06/25/776450625.db2.gz IXQLOVRYHZPMJI-MBTKJCJQSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1ncoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114103333 776450628 /nfs/dbraw/zinc/45/06/28/776450628.db2.gz IXQLOVRYHZPMJI-MBTKJCJQSA-N 1 1 307.310 -1.162 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c(=O)c1 ZINC001114130213 776450843 /nfs/dbraw/zinc/45/08/43/776450843.db2.gz IPHHHZXIEYQDOT-GDGBQDQQSA-N 1 1 319.321 -1.358 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c(=O)c1 ZINC001114130213 776450848 /nfs/dbraw/zinc/45/08/48/776450848.db2.gz IPHHHZXIEYQDOT-GDGBQDQQSA-N 1 1 319.321 -1.358 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090475692 776451600 /nfs/dbraw/zinc/45/16/00/776451600.db2.gz JZHIFCSECJPWMV-VXGBXAGGSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090475692 776451604 /nfs/dbraw/zinc/45/16/04/776451604.db2.gz JZHIFCSECJPWMV-VXGBXAGGSA-N 1 1 309.370 -1.029 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114146987 776451796 /nfs/dbraw/zinc/45/17/96/776451796.db2.gz NOMRCLZWQSSOEH-SFDCQRBFSA-N 1 1 324.425 -1.158 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)n1cncn1 ZINC001114147233 776451945 /nfs/dbraw/zinc/45/19/45/776451945.db2.gz SRLPQXMKNMGAJU-WYOJIJJFSA-N 1 1 321.341 -1.920 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)n1cncn1 ZINC001114147233 776451947 /nfs/dbraw/zinc/45/19/47/776451947.db2.gz SRLPQXMKNMGAJU-WYOJIJJFSA-N 1 1 321.341 -1.920 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114139314 776452045 /nfs/dbraw/zinc/45/20/45/776452045.db2.gz LTFYVGBDBKXTCV-UUIJZJDISA-N 1 1 312.366 -1.005 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114151160 776452776 /nfs/dbraw/zinc/45/27/76/776452776.db2.gz FCFIFMDRXYUZIY-RMRHIDDWSA-N 1 1 313.398 -1.628 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114157408 776454494 /nfs/dbraw/zinc/45/44/94/776454494.db2.gz DZPIAOCZUPXELO-JZYVYDRUSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114157408 776454497 /nfs/dbraw/zinc/45/44/97/776454497.db2.gz DZPIAOCZUPXELO-JZYVYDRUSA-N 1 1 304.310 -1.669 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114164812 776455168 /nfs/dbraw/zinc/45/51/68/776455168.db2.gz YADPRSRQZJJIKD-PJXYFTJBSA-N 1 1 322.365 -1.165 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114164812 776455178 /nfs/dbraw/zinc/45/51/78/776455178.db2.gz YADPRSRQZJJIKD-PJXYFTJBSA-N 1 1 322.365 -1.165 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114163480 776455504 /nfs/dbraw/zinc/45/55/04/776455504.db2.gz IJKZCGCFPSVQPY-IAZYJMLFSA-N 1 1 308.338 -1.426 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114163480 776455512 /nfs/dbraw/zinc/45/55/12/776455512.db2.gz IJKZCGCFPSVQPY-IAZYJMLFSA-N 1 1 308.338 -1.426 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114166601 776455814 /nfs/dbraw/zinc/45/58/14/776455814.db2.gz VGHKWTUCTVPXIY-OHBODLIOSA-N 1 1 322.365 -1.037 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC001114166601 776455821 /nfs/dbraw/zinc/45/58/21/776455821.db2.gz VGHKWTUCTVPXIY-OHBODLIOSA-N 1 1 322.365 -1.037 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175542 776456451 /nfs/dbraw/zinc/45/64/51/776456451.db2.gz GEVNXYFXGFIPRQ-UXCLJVHYSA-N 1 1 311.386 -1.386 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175542 776456458 /nfs/dbraw/zinc/45/64/58/776456458.db2.gz GEVNXYFXGFIPRQ-UXCLJVHYSA-N 1 1 311.386 -1.386 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114178762 776457736 /nfs/dbraw/zinc/45/77/36/776457736.db2.gz SRQKJEJZBZHOSF-LEQIOUOKSA-N 1 1 311.342 -2.248 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114178762 776457743 /nfs/dbraw/zinc/45/77/43/776457743.db2.gz SRQKJEJZBZHOSF-LEQIOUOKSA-N 1 1 311.342 -2.248 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114182830 776459592 /nfs/dbraw/zinc/45/95/92/776459592.db2.gz UMCUIOZMPAWROF-OGBGREFGSA-N 1 1 300.359 -1.903 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114181019 776459920 /nfs/dbraw/zinc/45/99/20/776459920.db2.gz VXKNMLHHIXBNLM-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114181019 776459923 /nfs/dbraw/zinc/45/99/23/776459923.db2.gz VXKNMLHHIXBNLM-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncnc1 ZINC001114187023 776461063 /nfs/dbraw/zinc/46/10/63/776461063.db2.gz MROKQBNCOYBOND-IWIIMEHWSA-N 1 1 318.337 -1.740 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncnc1 ZINC001114187023 776461068 /nfs/dbraw/zinc/46/10/68/776461068.db2.gz MROKQBNCOYBOND-IWIIMEHWSA-N 1 1 318.337 -1.740 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114203908 776461602 /nfs/dbraw/zinc/46/16/02/776461602.db2.gz LELMSVPOLYINKI-VOQBNFLRSA-N 1 1 311.298 -2.664 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114203908 776461606 /nfs/dbraw/zinc/46/16/06/776461606.db2.gz LELMSVPOLYINKI-VOQBNFLRSA-N 1 1 311.298 -2.664 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204639 776461951 /nfs/dbraw/zinc/46/19/51/776461951.db2.gz XBWSDYLTCZAPCB-MIZYBKAJSA-N 1 1 310.354 -1.334 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204639 776461959 /nfs/dbraw/zinc/46/19/59/776461959.db2.gz XBWSDYLTCZAPCB-MIZYBKAJSA-N 1 1 310.354 -1.334 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114216689 776462011 /nfs/dbraw/zinc/46/20/11/776462011.db2.gz AVUWZTCKUVXIIT-IAZYJMLFSA-N 1 1 306.370 -1.047 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114216689 776462019 /nfs/dbraw/zinc/46/20/19/776462019.db2.gz AVUWZTCKUVXIIT-IAZYJMLFSA-N 1 1 306.370 -1.047 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204019 776462287 /nfs/dbraw/zinc/46/22/87/776462287.db2.gz MWTRFPVRANJFRW-KXNHARMFSA-N 1 1 313.354 -1.196 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114217027 776462640 /nfs/dbraw/zinc/46/26/40/776462640.db2.gz IBAMKJONYCFSIY-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114217027 776462647 /nfs/dbraw/zinc/46/26/47/776462647.db2.gz IBAMKJONYCFSIY-VROVMSAKSA-N 1 1 321.341 -1.847 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114220933 776463198 /nfs/dbraw/zinc/46/31/98/776463198.db2.gz ZTNTWUICMSDAAY-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114220933 776463205 /nfs/dbraw/zinc/46/32/05/776463205.db2.gz ZTNTWUICMSDAAY-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)C1CC1 ZINC001114209110 776463531 /nfs/dbraw/zinc/46/35/31/776463531.db2.gz KVAIPDKWLFMBCR-RSLMWUCJSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)C1CC1 ZINC001114209110 776463532 /nfs/dbraw/zinc/46/35/32/776463532.db2.gz KVAIPDKWLFMBCR-RSLMWUCJSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114223815 776463658 /nfs/dbraw/zinc/46/36/58/776463658.db2.gz LEDSOPYFTODVEY-MBTKJCJQSA-N 1 1 306.326 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114223815 776463664 /nfs/dbraw/zinc/46/36/64/776463664.db2.gz LEDSOPYFTODVEY-MBTKJCJQSA-N 1 1 306.326 -1.475 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114222518 776463752 /nfs/dbraw/zinc/46/37/52/776463752.db2.gz AMEMMEGUAXCCJJ-IWIIMEHWSA-N 1 1 311.386 -1.560 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114225830 776464696 /nfs/dbraw/zinc/46/46/96/776464696.db2.gz BKEKCZDVJBZZMG-DCQANWLSSA-N 1 1 309.370 -1.035 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114246127 776465882 /nfs/dbraw/zinc/46/58/82/776465882.db2.gz QHNWQSVVVUWXGV-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114246127 776465884 /nfs/dbraw/zinc/46/58/84/776465884.db2.gz QHNWQSVVVUWXGV-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114241856 776465964 /nfs/dbraw/zinc/46/59/64/776465964.db2.gz DMOIGIDKQYLUPM-IWIIMEHWSA-N 1 1 324.381 -1.207 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114241856 776465966 /nfs/dbraw/zinc/46/59/66/776465966.db2.gz DMOIGIDKQYLUPM-IWIIMEHWSA-N 1 1 324.381 -1.207 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114271434 776467073 /nfs/dbraw/zinc/46/70/73/776467073.db2.gz VGBVKEMJIJUERA-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114271434 776467075 /nfs/dbraw/zinc/46/70/75/776467075.db2.gz VGBVKEMJIJUERA-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266914 776467222 /nfs/dbraw/zinc/46/72/22/776467222.db2.gz ZXYQWMNDTWXPFC-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266914 776467225 /nfs/dbraw/zinc/46/72/25/776467225.db2.gz ZXYQWMNDTWXPFC-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)NC(N)=O ZINC001114277372 776468080 /nfs/dbraw/zinc/46/80/80/776468080.db2.gz AOENJAHAJGWIMM-HJUHTLPRSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)NC(N)=O ZINC001114277372 776468082 /nfs/dbraw/zinc/46/80/82/776468082.db2.gz AOENJAHAJGWIMM-HJUHTLPRSA-N 1 1 323.397 -1.242 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114295914 776468844 /nfs/dbraw/zinc/46/88/44/776468844.db2.gz FWUYTZXKDDTOFM-IWIIMEHWSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114295914 776468850 /nfs/dbraw/zinc/46/88/50/776468850.db2.gz FWUYTZXKDDTOFM-IWIIMEHWSA-N 1 1 321.385 -1.366 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288572 776469446 /nfs/dbraw/zinc/46/94/46/776469446.db2.gz ZOGZAUJSUXQKRU-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288572 776469452 /nfs/dbraw/zinc/46/94/52/776469452.db2.gz ZOGZAUJSUXQKRU-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287107 776469532 /nfs/dbraw/zinc/46/95/32/776469532.db2.gz FGSJSKVLKZKFHH-MTBHXBHISA-N 1 1 308.302 -3.086 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287107 776469539 /nfs/dbraw/zinc/46/95/39/776469539.db2.gz FGSJSKVLKZKFHH-MTBHXBHISA-N 1 1 308.302 -3.086 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485144 776470492 /nfs/dbraw/zinc/47/04/92/776470492.db2.gz XPYDMIGJYPBNSG-TUAOUCFPSA-N 1 1 324.385 -1.344 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129551806 776472582 /nfs/dbraw/zinc/47/25/82/776472582.db2.gz XOUNRZFMGBMFQJ-UHFFFAOYSA-N 1 1 324.385 -1.329 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CCOCC2=O)nn1C ZINC001129569729 776474337 /nfs/dbraw/zinc/47/43/37/776474337.db2.gz LUGVADIZGDZORB-UHFFFAOYSA-N 1 1 309.370 -1.207 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCOCC1=O)c1nnnn1C ZINC001129568870 776474530 /nfs/dbraw/zinc/47/45/30/776474530.db2.gz DPDISKHWYJVWQK-VIFPVBQESA-N 1 1 311.346 -2.164 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1C ZINC001090478644 776474934 /nfs/dbraw/zinc/47/49/34/776474934.db2.gz HKLNBXNSMCBTOV-VXGBXAGGSA-N 1 1 324.381 -1.446 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129588186 776475466 /nfs/dbraw/zinc/47/54/66/776475466.db2.gz JIZXCAFYVRTRBV-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129670807 776477688 /nfs/dbraw/zinc/47/76/88/776477688.db2.gz FQJCBOOGIMKIKL-UHFFFAOYSA-N 1 1 319.325 -1.104 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813868 776482287 /nfs/dbraw/zinc/48/22/87/776482287.db2.gz GQGZMMQGHGIWLI-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825727 776483251 /nfs/dbraw/zinc/48/32/51/776483251.db2.gz LRFWTLGYVICHLH-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991883 776489680 /nfs/dbraw/zinc/48/96/80/776489680.db2.gz AWOTYEVPEFWTBH-NEPJUHHUSA-N 1 1 323.401 -1.683 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1nccn1C)c1nnnn1C ZINC001130039194 776491497 /nfs/dbraw/zinc/49/14/97/776491497.db2.gz ZRHUUXGLVZRRSS-JTQLQIEISA-N 1 1 322.373 -1.073 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[NH2+]Cc3nnnn3C)nn2c1 ZINC001130074068 776492813 /nfs/dbraw/zinc/49/28/13/776492813.db2.gz MYMCOJSHHPMNHK-UHFFFAOYSA-N 1 1 316.329 -1.524 20 0 DAADMO COCCn1nccc1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001130066175 776492947 /nfs/dbraw/zinc/49/29/47/776492947.db2.gz LZMWMQHFNBFYRL-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157906020 776493106 /nfs/dbraw/zinc/49/31/06/776493106.db2.gz YPOYNRRCFZPCFQ-WXHSDQCUSA-N 1 1 300.403 -2.062 20 0 DAADMO Cc1nc(C(=O)NCC[NH2+]Cc2nnnn2C)c(=O)[nH]c1C ZINC001130124722 776494616 /nfs/dbraw/zinc/49/46/16/776494616.db2.gz VQZVDKJCCAOZOA-UHFFFAOYSA-N 1 1 306.330 -1.158 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090482197 776495685 /nfs/dbraw/zinc/49/56/85/776495685.db2.gz LOHOLWJAYHMYML-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090482199 776495777 /nfs/dbraw/zinc/49/57/77/776495777.db2.gz LOHOLWJAYHMYML-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[nH]1 ZINC001130173289 776496956 /nfs/dbraw/zinc/49/69/56/776496956.db2.gz JYJVQHRXEKDLSJ-HGNGGELXSA-N 1 1 310.358 -1.223 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186928 776497968 /nfs/dbraw/zinc/49/79/68/776497968.db2.gz MMEFVKVQOHKPFP-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186928 776497970 /nfs/dbraw/zinc/49/79/70/776497970.db2.gz MMEFVKVQOHKPFP-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157936528 776499024 /nfs/dbraw/zinc/49/90/24/776499024.db2.gz HBRZINRVUAEINF-KGYLQXTDSA-N 1 1 300.403 -2.062 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130248436 776499441 /nfs/dbraw/zinc/49/94/41/776499441.db2.gz DSKCPXRPCJUYID-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO CN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130303398 776500760 /nfs/dbraw/zinc/50/07/60/776500760.db2.gz BHNZRPNTLAHEAW-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO COc1cc(OC)nc(C(=O)NCC[NH2+]Cc2nnnn2C)n1 ZINC001130283980 776500937 /nfs/dbraw/zinc/50/09/37/776500937.db2.gz LZTSESOGDKAAPS-UHFFFAOYSA-N 1 1 322.329 -1.463 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130303895 776501136 /nfs/dbraw/zinc/50/11/36/776501136.db2.gz NJKBHHVONTWQQF-LLVKDONJSA-N 1 1 306.432 -1.274 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130303397 776501197 /nfs/dbraw/zinc/50/11/97/776501197.db2.gz BHNZRPNTLAHEAW-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1ccon1)S(C)(=O)=O ZINC001130330246 776501979 /nfs/dbraw/zinc/50/19/79/776501979.db2.gz NFDXAFCOHOGKIG-QMMMGPOBSA-N 1 1 318.355 -1.248 20 0 DAADMO COCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001130335927 776503091 /nfs/dbraw/zinc/50/30/91/776503091.db2.gz UGXGMVIWGZTGOH-UHFFFAOYSA-N 1 1 319.387 -1.918 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCS(C)(=O)=O)nn1 ZINC001130333622 776503735 /nfs/dbraw/zinc/50/37/35/776503735.db2.gz FQZGZLIGAKUGGK-UHFFFAOYSA-N 1 1 303.388 -1.062 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001130338344 776504444 /nfs/dbraw/zinc/50/44/44/776504444.db2.gz XVPWBCZXTBPXMF-SNVBAGLBSA-N 1 1 322.369 -1.563 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130338344 776504454 /nfs/dbraw/zinc/50/44/54/776504454.db2.gz XVPWBCZXTBPXMF-SNVBAGLBSA-N 1 1 322.369 -1.563 20 0 DAADMO C[C@]1(CO)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[C@@H]1O ZINC001157946908 776504838 /nfs/dbraw/zinc/50/48/38/776504838.db2.gz POGFRYUPPHYYSY-KCQAQPDRSA-N 1 1 314.430 -1.671 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377549 776505385 /nfs/dbraw/zinc/50/53/85/776505385.db2.gz YUPLQEMQKZDPPG-BDAKNGLRSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377549 776505394 /nfs/dbraw/zinc/50/53/94/776505394.db2.gz YUPLQEMQKZDPPG-BDAKNGLRSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccn(C)c(=O)c1)c1nnnn1C ZINC001130379126 776505432 /nfs/dbraw/zinc/50/54/32/776505432.db2.gz LEDSXDDYUSVIJD-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342868 776505800 /nfs/dbraw/zinc/50/58/00/776505800.db2.gz RNOGGUBNKAVPRM-MRVPVSSYSA-N 1 1 323.357 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342868 776505809 /nfs/dbraw/zinc/50/58/09/776505809.db2.gz RNOGGUBNKAVPRM-MRVPVSSYSA-N 1 1 323.357 -2.031 20 0 DAADMO C[C@]1(CO)CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC[C@@H]1O ZINC001157946465 776507153 /nfs/dbraw/zinc/50/71/53/776507153.db2.gz NKBBPDZZASYGEJ-KCQAQPDRSA-N 1 1 314.430 -1.671 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130380658 776507471 /nfs/dbraw/zinc/50/74/71/776507471.db2.gz FZEIJCSSSDQPDV-UWVGGRQHSA-N 1 1 324.385 -1.136 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417647 776509053 /nfs/dbraw/zinc/50/90/53/776509053.db2.gz IRNHNTSNTKKVPX-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417647 776509059 /nfs/dbraw/zinc/50/90/59/776509059.db2.gz IRNHNTSNTKKVPX-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001130418181 776509454 /nfs/dbraw/zinc/50/94/54/776509454.db2.gz NVRUJCWPTZPZRL-QMMMGPOBSA-N 1 1 319.325 -1.116 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001130418181 776509460 /nfs/dbraw/zinc/50/94/60/776509460.db2.gz NVRUJCWPTZPZRL-QMMMGPOBSA-N 1 1 319.325 -1.116 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001130417994 776509782 /nfs/dbraw/zinc/50/97/82/776509782.db2.gz NQUBMMQTUYLDEZ-PSASIEDQSA-N 1 1 320.353 -1.811 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417645 776509831 /nfs/dbraw/zinc/50/98/31/776509831.db2.gz IRNHNTSNTKKVPX-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417645 776509833 /nfs/dbraw/zinc/50/98/33/776509833.db2.gz IRNHNTSNTKKVPX-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417951 776509996 /nfs/dbraw/zinc/50/99/96/776509996.db2.gz MFRZVJPPNBAUHO-YUMQZZPRSA-N 1 1 308.342 -1.826 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417951 776510000 /nfs/dbraw/zinc/51/00/00/776510000.db2.gz MFRZVJPPNBAUHO-YUMQZZPRSA-N 1 1 308.342 -1.826 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130443390 776510047 /nfs/dbraw/zinc/51/00/47/776510047.db2.gz WRTHUMCHVPKYND-VIFPVBQESA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001090484557 776511244 /nfs/dbraw/zinc/51/12/44/776511244.db2.gz BJTYGRYUXQITEI-ZJUUUORDSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001090484557 776511250 /nfs/dbraw/zinc/51/12/50/776511250.db2.gz BJTYGRYUXQITEI-ZJUUUORDSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001090484556 776511368 /nfs/dbraw/zinc/51/13/68/776511368.db2.gz BJTYGRYUXQITEI-VHSXEESVSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001090484556 776511372 /nfs/dbraw/zinc/51/13/72/776511372.db2.gz BJTYGRYUXQITEI-VHSXEESVSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130477096 776512011 /nfs/dbraw/zinc/51/20/11/776512011.db2.gz AHIPZFRHCHDMGG-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090485282 776512662 /nfs/dbraw/zinc/51/26/62/776512662.db2.gz GHELFAMDNTUJLE-KBPBESRZSA-N 1 1 324.425 -1.230 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090485298 776512740 /nfs/dbraw/zinc/51/27/40/776512740.db2.gz GKQVPWXLOBNOKU-RYUDHWBXSA-N 1 1 312.370 -1.024 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001090485455 776512959 /nfs/dbraw/zinc/51/29/59/776512959.db2.gz HUJCKLMIJWTSDY-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090485295 776513422 /nfs/dbraw/zinc/51/34/22/776513422.db2.gz GKQVPWXLOBNOKU-NWDGAFQWSA-N 1 1 312.370 -1.024 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130481519 776513753 /nfs/dbraw/zinc/51/37/53/776513753.db2.gz VPSJREWPTTZQEZ-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001090485845 776514584 /nfs/dbraw/zinc/51/45/84/776514584.db2.gz KSSHEILTTNPPDZ-ZJUUUORDSA-N 1 1 312.326 -2.357 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCN(C)C(=O)C1)c1nnnn1C ZINC001130554174 776516003 /nfs/dbraw/zinc/51/60/03/776516003.db2.gz YVJLEDNINGVMRL-JTQLQIEISA-N 1 1 324.389 -2.249 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCN(C)C(=O)C1)c1nncn1C ZINC001130554127 776516183 /nfs/dbraw/zinc/51/61/83/776516183.db2.gz XAONUNSIORBJCM-NSHDSACASA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001130554148 776516214 /nfs/dbraw/zinc/51/62/14/776516214.db2.gz XXQCSLBGIYWMHY-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001130553524 776516383 /nfs/dbraw/zinc/51/63/83/776516383.db2.gz JICKHKVAUGUXPR-SNVBAGLBSA-N 1 1 323.401 -1.346 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)nn1 ZINC001130553469 776516639 /nfs/dbraw/zinc/51/66/39/776516639.db2.gz GNEOGJDESNDLPB-UHFFFAOYSA-N 1 1 323.401 -1.722 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001130553328 776516716 /nfs/dbraw/zinc/51/67/16/776516716.db2.gz DLRILONKRHKVGY-UHFFFAOYSA-N 1 1 323.401 -1.722 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)nn1C ZINC001130553752 776516792 /nfs/dbraw/zinc/51/67/92/776516792.db2.gz OXQJMJGDCSCXHY-UHFFFAOYSA-N 1 1 322.413 -1.292 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCN(C)C(=O)C1)c1nncn1C ZINC001130554126 776516824 /nfs/dbraw/zinc/51/68/24/776516824.db2.gz XAONUNSIORBJCM-LLVKDONJSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)nn1 ZINC001130553298 776516934 /nfs/dbraw/zinc/51/69/34/776516934.db2.gz CFXBCLIRCRTTCH-UHFFFAOYSA-N 1 1 309.374 -2.205 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)on1 ZINC001130587920 776518610 /nfs/dbraw/zinc/51/86/10/776518610.db2.gz FVBIVMZWFPJQQM-UHFFFAOYSA-N 1 1 310.314 -1.516 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)s1 ZINC001130588002 776519054 /nfs/dbraw/zinc/51/90/54/776519054.db2.gz JHJBAAHLPQMMLZ-UHFFFAOYSA-N 1 1 311.371 -1.352 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090487447 776519363 /nfs/dbraw/zinc/51/93/63/776519363.db2.gz VFPAHUKSIRHQFE-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591034 776520692 /nfs/dbraw/zinc/52/06/92/776520692.db2.gz QBIBDZVTMVWWNX-UHFFFAOYSA-N 1 1 322.373 -1.592 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001130588246 776520734 /nfs/dbraw/zinc/52/07/34/776520734.db2.gz RJJWFTPAUDATBW-UHFFFAOYSA-N 1 1 322.373 -1.592 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090488014 776521185 /nfs/dbraw/zinc/52/11/85/776521185.db2.gz CEOIMQOLOJIOSE-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001130615869 776522082 /nfs/dbraw/zinc/52/20/82/776522082.db2.gz UBUBSIRRBSMGDY-WDEREUQCSA-N 1 1 311.390 -1.302 20 0 DAADMO Cn1nnc(CNCCNC(=O)c2cc(C[NH+](C)C)on2)n1 ZINC001130653218 776524385 /nfs/dbraw/zinc/52/43/85/776524385.db2.gz COABGVNPRJYFNA-UHFFFAOYSA-N 1 1 308.346 -1.221 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090489521 776525052 /nfs/dbraw/zinc/52/50/52/776525052.db2.gz NHABUBOOYNAEJT-GHMZBOCLSA-N 1 1 300.359 -3.038 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCC(=O)NC1 ZINC001130702643 776527775 /nfs/dbraw/zinc/52/77/75/776527775.db2.gz SBOZTRRRKWLKRM-JTQLQIEISA-N 1 1 322.369 -1.460 20 0 DAADMO COCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130745018 776528062 /nfs/dbraw/zinc/52/80/62/776528062.db2.gz QSCHSXKQEYVFAH-VHSXEESVSA-N 1 1 313.358 -1.131 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2cnn[nH]2)n(C)c1=O ZINC001130751453 776528323 /nfs/dbraw/zinc/52/83/23/776528323.db2.gz DLAWVEDXNWVPCZ-UHFFFAOYSA-N 1 1 307.314 -2.278 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)c1[nH]nc2c1CCC2 ZINC001130734574 776528490 /nfs/dbraw/zinc/52/84/90/776528490.db2.gz TXMFMQWWXZYZDK-UHFFFAOYSA-N 1 1 315.399 -1.233 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)c1cnn[nH]1 ZINC001130748929 776528589 /nfs/dbraw/zinc/52/85/89/776528589.db2.gz ORZZYRQTFUHTLP-QMMMGPOBSA-N 1 1 310.314 -2.366 20 0 DAADMO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)c2cnn[nH]2)CC1 ZINC001130745987 776528673 /nfs/dbraw/zinc/52/86/73/776528673.db2.gz WCKYZXVILHLRBR-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001130751568 776528691 /nfs/dbraw/zinc/52/86/91/776528691.db2.gz FCLAWAHZBZNPDL-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748747 776528784 /nfs/dbraw/zinc/52/87/84/776528784.db2.gz LFIHVDGDBGUVPJ-ZJUUUORDSA-N 1 1 301.347 -1.464 20 0 DAADMO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)CC1 ZINC001130748595 776529208 /nfs/dbraw/zinc/52/92/08/776529208.db2.gz HHJFGKOJVCZVHY-UHFFFAOYSA-N 1 1 323.357 -2.152 20 0 DAADMO CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)c2cnn[nH]2)C1 ZINC001130748798 776529227 /nfs/dbraw/zinc/52/92/27/776529227.db2.gz NJWVZLPAWALJKG-SECBINFHSA-N 1 1 316.387 -1.594 20 0 DAADMO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1[nH]nc2c1CCC2 ZINC001130734585 776529339 /nfs/dbraw/zinc/52/93/39/776529339.db2.gz UHUBCXFGGPRKCA-UHFFFAOYSA-N 1 1 320.353 -1.230 20 0 DAADMO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748922 776529385 /nfs/dbraw/zinc/52/93/85/776529385.db2.gz OLMVCDUBLPOVGL-UHFFFAOYSA-N 1 1 319.387 -1.425 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)c1)c1nnnn1C ZINC001130764238 776530742 /nfs/dbraw/zinc/53/07/42/776530742.db2.gz SPZHIGVXMQIDME-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO CCOC(=O)C1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CNC1 ZINC001158102510 776532116 /nfs/dbraw/zinc/53/21/16/776532116.db2.gz SYBHPYGFOUBVLI-CYBMUJFWSA-N 1 1 310.354 -2.170 20 0 DAADMO C[C@@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001130810531 776534530 /nfs/dbraw/zinc/53/45/30/776534530.db2.gz VCPKSPSIRWTZKK-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC001090495932 776538376 /nfs/dbraw/zinc/53/83/76/776538376.db2.gz KPMLFJRSALACCK-VXGBXAGGSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC001090495932 776538383 /nfs/dbraw/zinc/53/83/83/776538383.db2.gz KPMLFJRSALACCK-VXGBXAGGSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC001090495964 776538407 /nfs/dbraw/zinc/53/84/07/776538407.db2.gz LFQDZHRTJMLGCD-VXGBXAGGSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC001090495964 776538413 /nfs/dbraw/zinc/53/84/13/776538413.db2.gz LFQDZHRTJMLGCD-VXGBXAGGSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC001090495929 776538580 /nfs/dbraw/zinc/53/85/80/776538580.db2.gz KPMLFJRSALACCK-NEPJUHHUSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC001090495929 776538583 /nfs/dbraw/zinc/53/85/83/776538583.db2.gz KPMLFJRSALACCK-NEPJUHHUSA-N 1 1 317.353 -1.030 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2cncc2c1 ZINC001130867906 776540756 /nfs/dbraw/zinc/54/07/56/776540756.db2.gz TYLVOJFIEXPXMM-UHFFFAOYSA-N 1 1 304.310 -1.151 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001090496300 776540914 /nfs/dbraw/zinc/54/09/14/776540914.db2.gz OHFBDCRVSTZCPO-MNOVXSKESA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001090496300 776540923 /nfs/dbraw/zinc/54/09/23/776540923.db2.gz OHFBDCRVSTZCPO-MNOVXSKESA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccc2ncnn21 ZINC001130903261 776545441 /nfs/dbraw/zinc/54/54/41/776545441.db2.gz AWFBRWOAWZEIRC-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NCC[NH2+][C@@H]2CCNC2=O)cc1=O ZINC001130925528 776545491 /nfs/dbraw/zinc/54/54/91/776545491.db2.gz DHXBPRMOXDLOJN-GFCCVEGCSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001130991032 776549007 /nfs/dbraw/zinc/54/90/07/776549007.db2.gz ROKPQWUTXREEEP-JTQLQIEISA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001131001241 776550851 /nfs/dbraw/zinc/55/08/51/776550851.db2.gz UGVZUGMKEPDMGB-SECBINFHSA-N 1 1 301.372 -1.544 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)nn1 ZINC001131010751 776552932 /nfs/dbraw/zinc/55/29/32/776552932.db2.gz BBYBVNZFZMJVHA-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1nnnn1C ZINC001131025738 776554409 /nfs/dbraw/zinc/55/44/09/776554409.db2.gz ZLDPWYOCTDXIEL-NXEZZACHSA-N 1 1 324.389 -1.232 20 0 DAADMO Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(N)=O ZINC001131062105 776554819 /nfs/dbraw/zinc/55/48/19/776554819.db2.gz WCPVPJWWQJPVQT-VXGBXAGGSA-N 1 1 322.413 -1.259 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498676 776560689 /nfs/dbraw/zinc/56/06/89/776560689.db2.gz DPKDLXUDBDYVKE-VHSXEESVSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498676 776560697 /nfs/dbraw/zinc/56/06/97/776560697.db2.gz DPKDLXUDBDYVKE-VHSXEESVSA-N 1 1 321.341 -1.128 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131331684 776563900 /nfs/dbraw/zinc/56/39/00/776563900.db2.gz YYOCMHLLCRHDCR-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131331684 776563911 /nfs/dbraw/zinc/56/39/11/776563911.db2.gz YYOCMHLLCRHDCR-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001131339757 776564708 /nfs/dbraw/zinc/56/47/08/776564708.db2.gz OUODLWOIMZOGIN-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CCOCC[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001131339757 776564717 /nfs/dbraw/zinc/56/47/17/776564717.db2.gz OUODLWOIMZOGIN-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCCC[NH2+]Cc2cnsn2)n1 ZINC001158337716 776566587 /nfs/dbraw/zinc/56/65/87/776566587.db2.gz XBDMFAJNABOJHT-UHFFFAOYSA-N 1 1 324.370 -1.475 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)CCNC(=O)NC)CC1 ZINC001131360421 776568187 /nfs/dbraw/zinc/56/81/87/776568187.db2.gz TZPHBHPBSYWASM-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)CCNC(=O)NC)CC1 ZINC001131360421 776568192 /nfs/dbraw/zinc/56/81/92/776568192.db2.gz TZPHBHPBSYWASM-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001131393363 776568680 /nfs/dbraw/zinc/56/86/80/776568680.db2.gz VPPNKAJUOURZTD-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)C[C@@H]2O)n1 ZINC001090500481 776569077 /nfs/dbraw/zinc/56/90/77/776569077.db2.gz OPJICOQHVNWUEU-RYUDHWBXSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131488903 776571210 /nfs/dbraw/zinc/57/12/10/776571210.db2.gz YZJVRXIQOABWNR-MNOVXSKESA-N 1 1 324.385 -1.166 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519621 776573647 /nfs/dbraw/zinc/57/36/47/776573647.db2.gz HVYWFBMQNCOBJC-IQLKVPPVSA-N 1 1 321.385 -1.721 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519291 776573933 /nfs/dbraw/zinc/57/39/33/776573933.db2.gz CNGDMXUSKMEGMS-QRJNDHJOSA-N 1 1 320.397 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519866 776574514 /nfs/dbraw/zinc/57/45/14/776574514.db2.gz LREDNXTYMOZDAK-XIRUVYRFSA-N 1 1 322.369 -1.421 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519435 776574961 /nfs/dbraw/zinc/57/49/61/776574961.db2.gz FGIFFMCRHSQCHG-MQYJIDSJSA-N 1 1 320.397 -1.116 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131538731 776576475 /nfs/dbraw/zinc/57/64/75/776576475.db2.gz CXPZMIXKQFPUFT-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)c1nnnn1C ZINC001131538800 776577195 /nfs/dbraw/zinc/57/71/95/776577195.db2.gz FNJYOVZMKCYASV-QMMMGPOBSA-N 1 1 306.330 -1.616 20 0 DAADMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131631717 776578302 /nfs/dbraw/zinc/57/83/02/776578302.db2.gz IDODOCGAQNZKJP-RISCZKNCSA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131633296 776578954 /nfs/dbraw/zinc/57/89/54/776578954.db2.gz PFJZYWONZGFYEA-GXFFZTMASA-N 1 1 300.359 -1.661 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001131637010 776579477 /nfs/dbraw/zinc/57/94/77/776579477.db2.gz WHVCNPSQRYGMIY-SNVBAGLBSA-N 1 1 319.373 -1.422 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 ZINC001131671472 776579970 /nfs/dbraw/zinc/57/99/70/776579970.db2.gz AIGHXCFJDLTKKE-NSHDSACASA-N 1 1 318.341 -1.600 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131677137 776581697 /nfs/dbraw/zinc/58/16/97/776581697.db2.gz OGVZJUFQKISFTB-ZDUSSCGKSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)c1nncn1C ZINC001131768921 776585347 /nfs/dbraw/zinc/58/53/47/776585347.db2.gz ITJPVQXGVSVFAW-SNVBAGLBSA-N 1 1 322.373 -1.433 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001131769439 776586021 /nfs/dbraw/zinc/58/60/21/776586021.db2.gz RCWKRVVGBLGLKW-SECBINFHSA-N 1 1 322.373 -1.135 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1nncn1C)S(N)(=O)=O ZINC001131777336 776586367 /nfs/dbraw/zinc/58/63/67/776586367.db2.gz JCMRRGCMIZVENI-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1nncn1C)S(N)(=O)=O ZINC001131777335 776586401 /nfs/dbraw/zinc/58/64/01/776586401.db2.gz JCMRRGCMIZVENI-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO Cn1cnn(CCC(=O)NCC[NH2+]Cc2cnns2)c1=O ZINC001131769453 776586646 /nfs/dbraw/zinc/58/66/46/776586646.db2.gz RWAANVKRKYHTAQ-UHFFFAOYSA-N 1 1 311.371 -1.271 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001131792458 776587666 /nfs/dbraw/zinc/58/76/66/776587666.db2.gz LBXZTUCLCDJCPN-JGVFFNPUSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001131792458 776587670 /nfs/dbraw/zinc/58/76/70/776587670.db2.gz LBXZTUCLCDJCPN-JGVFFNPUSA-N 1 1 314.346 -2.181 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)nn1 ZINC001131765623 776587697 /nfs/dbraw/zinc/58/76/97/776587697.db2.gz FOHYYIPXXXTDSS-UHFFFAOYSA-N 1 1 308.346 -1.994 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001131793255 776587810 /nfs/dbraw/zinc/58/78/10/776587810.db2.gz QDFGABDDMZDSAK-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001131793255 776587812 /nfs/dbraw/zinc/58/78/12/776587812.db2.gz QDFGABDDMZDSAK-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO Cn1cnn(CCC(=O)NCC[NH2+]Cc2nnnn2C)c1=O ZINC001131763553 776587961 /nfs/dbraw/zinc/58/79/61/776587961.db2.gz XZHMYSURMXDABQ-UHFFFAOYSA-N 1 1 309.334 -2.599 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001131793262 776588639 /nfs/dbraw/zinc/58/86/39/776588639.db2.gz QDFGABDDMZDSAK-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001131793262 776588651 /nfs/dbraw/zinc/58/86/51/776588651.db2.gz QDFGABDDMZDSAK-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)nn1C ZINC001131765635 776588791 /nfs/dbraw/zinc/58/87/91/776588791.db2.gz GBQNDQGUYGGBMC-UHFFFAOYSA-N 1 1 321.385 -1.080 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC1CC1 ZINC001131793266 776589087 /nfs/dbraw/zinc/58/90/87/776589087.db2.gz QDFGABDDMZDSAK-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC1CC1 ZINC001131793266 776589092 /nfs/dbraw/zinc/58/90/92/776589092.db2.gz QDFGABDDMZDSAK-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001131792459 776589114 /nfs/dbraw/zinc/58/91/14/776589114.db2.gz LBXZTUCLCDJCPN-SFYZADRCSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001131792459 776589119 /nfs/dbraw/zinc/58/91/19/776589119.db2.gz LBXZTUCLCDJCPN-SFYZADRCSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CCOCCO ZINC001131783539 776590572 /nfs/dbraw/zinc/59/05/72/776590572.db2.gz FRNRJLUDFXKAFS-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001131793538 776590921 /nfs/dbraw/zinc/59/09/21/776590921.db2.gz UPDRERFSCZLQBR-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001131793538 776590924 /nfs/dbraw/zinc/59/09/24/776590924.db2.gz UPDRERFSCZLQBR-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CCOCCO ZINC001131783538 776591119 /nfs/dbraw/zinc/59/11/19/776591119.db2.gz FRNRJLUDFXKAFS-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001131828146 776592267 /nfs/dbraw/zinc/59/22/67/776592267.db2.gz FPDFYBFSWOABEH-UHFFFAOYSA-N 1 1 322.416 -1.894 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nncn1C ZINC001131828106 776592288 /nfs/dbraw/zinc/59/22/88/776592288.db2.gz DEIRASZCCQTRNF-UHFFFAOYSA-N 1 1 305.364 -2.925 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1)c1nnnn1C ZINC001131844096 776592387 /nfs/dbraw/zinc/59/23/87/776592387.db2.gz BGSITNXBNLSHFN-ZJUUUORDSA-N 1 1 309.374 -1.107 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1)c1nnnn1C ZINC001131844095 776592452 /nfs/dbraw/zinc/59/24/52/776592452.db2.gz BGSITNXBNLSHFN-VHSXEESVSA-N 1 1 309.374 -1.107 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCNC(=O)CC1)c1nnnn1C ZINC001131844093 776593395 /nfs/dbraw/zinc/59/33/95/776593395.db2.gz BGSITNXBNLSHFN-NXEZZACHSA-N 1 1 309.374 -1.107 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnns1 ZINC001131831671 776593948 /nfs/dbraw/zinc/59/39/48/776593948.db2.gz LQPIILVKULQINU-UHFFFAOYSA-N 1 1 308.389 -2.202 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001131831808 776594701 /nfs/dbraw/zinc/59/47/01/776594701.db2.gz RMFNUYPDHNHEBX-ZETCQYMHSA-N 1 1 319.391 -2.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001131831885 776595377 /nfs/dbraw/zinc/59/53/77/776595377.db2.gz TYPYBIOTLYKUME-SECBINFHSA-N 1 1 316.387 -1.703 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1csc(C)n1 ZINC001131837020 776596581 /nfs/dbraw/zinc/59/65/81/776596581.db2.gz LPIWOYSXCSYCKU-UHFFFAOYSA-N 1 1 321.428 -1.289 20 0 DAADMO CO[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)N(C(C)=O)C1 ZINC001131905343 776599962 /nfs/dbraw/zinc/59/99/62/776599962.db2.gz MQJMELPYABJUMS-NWDGAFQWSA-N 1 1 324.385 -1.343 20 0 DAADMO CCO[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)[C@H]1CCOC1 ZINC001131889018 776600238 /nfs/dbraw/zinc/60/02/38/776600238.db2.gz GFGDEDCPFDZIGD-JQWIXIFHSA-N 1 1 312.374 -1.143 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001132005791 776601419 /nfs/dbraw/zinc/60/14/19/776601419.db2.gz CGOYBUCVXMVHFH-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001132005791 776601427 /nfs/dbraw/zinc/60/14/27/776601427.db2.gz CGOYBUCVXMVHFH-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001132005792 776602422 /nfs/dbraw/zinc/60/24/22/776602422.db2.gz CGOYBUCVXMVHFH-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001132005792 776602429 /nfs/dbraw/zinc/60/24/29/776602429.db2.gz CGOYBUCVXMVHFH-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCN1CCNC1=O ZINC001131965427 776602457 /nfs/dbraw/zinc/60/24/57/776602457.db2.gz VKQNHCFSWOMDLL-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132042521 776604000 /nfs/dbraw/zinc/60/40/00/776604000.db2.gz VPQWVRXBMYUADU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132042521 776604004 /nfs/dbraw/zinc/60/40/04/776604004.db2.gz VPQWVRXBMYUADU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132079353 776604092 /nfs/dbraw/zinc/60/40/92/776604092.db2.gz XCVGSCFGMJMTAQ-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132079353 776604098 /nfs/dbraw/zinc/60/40/98/776604098.db2.gz XCVGSCFGMJMTAQ-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132078847 776604337 /nfs/dbraw/zinc/60/43/37/776604337.db2.gz OQNWIRMISQLXQQ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132078847 776604341 /nfs/dbraw/zinc/60/43/41/776604341.db2.gz OQNWIRMISQLXQQ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132078845 776604799 /nfs/dbraw/zinc/60/47/99/776604799.db2.gz OQNWIRMISQLXQQ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132078845 776604802 /nfs/dbraw/zinc/60/48/02/776604802.db2.gz OQNWIRMISQLXQQ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132091465 776606802 /nfs/dbraw/zinc/60/68/02/776606802.db2.gz YHJJQCIXPOYVQD-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132091465 776606807 /nfs/dbraw/zinc/60/68/07/776606807.db2.gz YHJJQCIXPOYVQD-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCOCCO)C1 ZINC001132082964 776606923 /nfs/dbraw/zinc/60/69/23/776606923.db2.gz KZWUALABRXOSFU-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001132165562 776608412 /nfs/dbraw/zinc/60/84/12/776608412.db2.gz XLAGLPQXCCTEPV-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001132165562 776608413 /nfs/dbraw/zinc/60/84/13/776608413.db2.gz XLAGLPQXCCTEPV-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001132165560 776609012 /nfs/dbraw/zinc/60/90/12/776609012.db2.gz XLAGLPQXCCTEPV-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001132165560 776609025 /nfs/dbraw/zinc/60/90/25/776609025.db2.gz XLAGLPQXCCTEPV-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CCO ZINC001132202018 776610842 /nfs/dbraw/zinc/61/08/42/776610842.db2.gz AVJAMXKGSINOFL-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnn2cccnc12 ZINC001132205425 776611229 /nfs/dbraw/zinc/61/12/29/776611229.db2.gz BWVVYLDEQAMONM-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCF)C1 ZINC001132200027 776611978 /nfs/dbraw/zinc/61/19/78/776611978.db2.gz NUWUALZXUVVSNP-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCF)C1 ZINC001132200027 776611981 /nfs/dbraw/zinc/61/19/81/776611981.db2.gz NUWUALZXUVVSNP-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132200711 776612044 /nfs/dbraw/zinc/61/20/44/776612044.db2.gz SWFOFXSLMBSKFI-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132198936 776612109 /nfs/dbraw/zinc/61/21/09/776612109.db2.gz CUHWZCFKOBOIFR-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132198936 776612112 /nfs/dbraw/zinc/61/21/12/776612112.db2.gz CUHWZCFKOBOIFR-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317919 776617468 /nfs/dbraw/zinc/61/74/68/776617468.db2.gz OXXBZNNYIHOZCA-UHFFFAOYSA-N 1 1 323.401 -1.674 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132337061 776618468 /nfs/dbraw/zinc/61/84/68/776618468.db2.gz FVRPIGIQLVOYTI-UWVGGRQHSA-N 1 1 307.358 -1.275 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132338240 776620097 /nfs/dbraw/zinc/62/00/97/776620097.db2.gz SAXOQOUOPWJNJK-NXEZZACHSA-N 1 1 322.369 -1.474 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001132320721 776620487 /nfs/dbraw/zinc/62/04/87/776620487.db2.gz QNZTZUPKJHFTSU-VIFPVBQESA-N 1 1 309.374 -1.688 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132363889 776621943 /nfs/dbraw/zinc/62/19/43/776621943.db2.gz ZWZWDZWPHYOAEM-NXEZZACHSA-N 1 1 309.374 -1.200 20 0 DAADMO Cn1c(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)c[nH]c1=O ZINC001132366944 776622046 /nfs/dbraw/zinc/62/20/46/776622046.db2.gz FXOBWOUCKMUHLZ-UHFFFAOYSA-N 1 1 306.330 -1.033 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C[N@H+]1CCO ZINC001132358333 776623489 /nfs/dbraw/zinc/62/34/89/776623489.db2.gz CLTKTGOLDZVUOX-RYUDHWBXSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CCNC1=O ZINC001132360401 776625190 /nfs/dbraw/zinc/62/51/90/776625190.db2.gz YOEPPNPGNHKIAR-SECBINFHSA-N 1 1 308.342 -1.850 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1nnnn1C1CC1 ZINC001132387563 776626825 /nfs/dbraw/zinc/62/68/25/776626825.db2.gz VVTTWWKJDWLHBQ-SCZZXKLOSA-N 1 1 322.373 -1.202 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C(C)(C)C)NC1=O ZINC001132382769 776627791 /nfs/dbraw/zinc/62/77/91/776627791.db2.gz QUTMROLPYNMULH-SECBINFHSA-N 1 1 324.389 -1.343 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CN(C)C(=O)N2)n1C ZINC001132382822 776627892 /nfs/dbraw/zinc/62/78/92/776627892.db2.gz RYQNNDIQTUHZRB-VIFPVBQESA-N 1 1 309.374 -1.393 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)NC1=O ZINC001132383009 776628286 /nfs/dbraw/zinc/62/82/86/776628286.db2.gz VVVSJAXSMMHZKP-SECBINFHSA-N 1 1 313.337 -1.523 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132458142 776629945 /nfs/dbraw/zinc/62/99/45/776629945.db2.gz QFPYAWSPQCNSQU-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCO)C1 ZINC001132499349 776630454 /nfs/dbraw/zinc/63/04/54/776630454.db2.gz GXLCCLBSTYHEAE-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)C[N@H+]1CCO ZINC001132512222 776631828 /nfs/dbraw/zinc/63/18/28/776631828.db2.gz ANEMDAPKDZOQAE-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2nnc(C3CC3)n2C)n1 ZINC001132523644 776632254 /nfs/dbraw/zinc/63/22/54/776632254.db2.gz RXXPUTORWWKDLU-UHFFFAOYSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)C[N@H+]1CCO ZINC001132512224 776632370 /nfs/dbraw/zinc/63/23/70/776632370.db2.gz ANEMDAPKDZOQAE-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)n1 ZINC001132523528 776632468 /nfs/dbraw/zinc/63/24/68/776632468.db2.gz MQPNBZPFJVLXMB-UHFFFAOYSA-N 1 1 307.318 -2.149 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2ncnn2CC(F)F)n1 ZINC001132523412 776632595 /nfs/dbraw/zinc/63/25/95/776632595.db2.gz ICNFVYXVGPHCFT-UHFFFAOYSA-N 1 1 315.288 -1.414 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132527243 776633620 /nfs/dbraw/zinc/63/36/20/776633620.db2.gz RQZNVQYTQBPSRN-UHFFFAOYSA-N 1 1 308.350 -1.484 20 0 DAADMO C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001132637781 776636603 /nfs/dbraw/zinc/63/66/03/776636603.db2.gz MAQYLAJTQDGQQP-ZJUUUORDSA-N 1 1 324.389 -1.547 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1=O ZINC001132609222 776637853 /nfs/dbraw/zinc/63/78/53/776637853.db2.gz UGAXNCRRWBESIV-JTQLQIEISA-N 1 1 307.358 -1.308 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1nnnn1C ZINC001132719746 776638629 /nfs/dbraw/zinc/63/86/29/776638629.db2.gz YEZPFZGGIUPZTH-ZANVPECISA-N 1 1 309.374 -1.107 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1)c1nnnn1C ZINC001132719744 776638800 /nfs/dbraw/zinc/63/88/00/776638800.db2.gz YEZPFZGGIUPZTH-RNCFNFMXSA-N 1 1 309.374 -1.107 20 0 DAADMO COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848842 776643047 /nfs/dbraw/zinc/64/30/47/776643047.db2.gz TZGMJWQMDHWAGJ-CHWSQXEVSA-N 1 1 303.403 -1.191 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132921378 776645654 /nfs/dbraw/zinc/64/56/54/776645654.db2.gz RNVCWXCEAIXTAC-JTQLQIEISA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132947545 776646590 /nfs/dbraw/zinc/64/65/90/776646590.db2.gz VQLIRDVIPIYKQQ-UHFFFAOYSA-N 1 1 307.314 -1.650 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCc2n[nH]nc21)C(=O)NC(N)=O ZINC001132997962 776648421 /nfs/dbraw/zinc/64/84/21/776648421.db2.gz NCXRPPYNFTWWCZ-HTQZYQBOSA-N 1 1 323.357 -1.486 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001133000967 776649093 /nfs/dbraw/zinc/64/90/93/776649093.db2.gz OUCOPVPQSZWOEI-QMMMGPOBSA-N 1 1 323.357 -1.614 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCCc2n[nH]nc21 ZINC001133001222 776649341 /nfs/dbraw/zinc/64/93/41/776649341.db2.gz VPSFLNXMSBTVNW-WPRPVWTQSA-N 1 1 320.353 -1.264 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCc2n[nH]nc21)C(=O)NC(N)=O ZINC001132997965 776650989 /nfs/dbraw/zinc/65/09/89/776650989.db2.gz NCXRPPYNFTWWCZ-YUMQZZPRSA-N 1 1 323.357 -1.486 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@@H]1CNC(=O)N1 ZINC001133111903 776652526 /nfs/dbraw/zinc/65/25/26/776652526.db2.gz RVHDFQQJLKIGQJ-VIFPVBQESA-N 1 1 307.358 -1.498 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CNC(=O)N1 ZINC001133111704 776653175 /nfs/dbraw/zinc/65/31/75/776653175.db2.gz LWHAFMNXPKDQPT-QMMMGPOBSA-N 1 1 309.330 -2.305 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1nnnn1C1CC1 ZINC001133115400 776654122 /nfs/dbraw/zinc/65/41/22/776654122.db2.gz MJNJZXMVDYXQBT-APPZFPTMSA-N 1 1 308.346 -1.544 20 0 DAADMO NC(=O)[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(F)cc1 ZINC001133116298 776654200 /nfs/dbraw/zinc/65/42/00/776654200.db2.gz ZAAWRMFKLQUKSN-MNOVXSKESA-N 1 1 323.328 -1.261 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1C1CC1 ZINC001133128460 776655531 /nfs/dbraw/zinc/65/55/31/776655531.db2.gz FBLRWZXWGCNRMK-SNVBAGLBSA-N 1 1 307.358 -1.191 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128831 776657951 /nfs/dbraw/zinc/65/79/51/776657951.db2.gz OKWHLGQWPFEDLV-SNVBAGLBSA-N 1 1 309.374 -1.116 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)n1 ZINC001133151709 776658035 /nfs/dbraw/zinc/65/80/35/776658035.db2.gz GHOPOTRQVSLIHH-UHFFFAOYSA-N 1 1 304.376 -1.910 20 0 DAADMO Cn1ncc(Br)c1C[NH2+]CCNC(=O)C(N)=O ZINC001133195348 776661991 /nfs/dbraw/zinc/66/19/91/776661991.db2.gz CLNSZUNTPSWPNV-UHFFFAOYSA-N 1 1 304.148 -1.126 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001133255479 776663706 /nfs/dbraw/zinc/66/37/06/776663706.db2.gz OVBMIVGUTBMXCN-KWQFWETISA-N 1 1 310.358 -1.964 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)=NC1=O ZINC001133335523 776665216 /nfs/dbraw/zinc/66/52/16/776665216.db2.gz YRGTYBNNRAGHDJ-SECBINFHSA-N 1 1 316.383 -1.120 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133350863 776665329 /nfs/dbraw/zinc/66/53/29/776665329.db2.gz MXVHLWYLOSNUNN-UHFFFAOYSA-N 1 1 319.387 -1.616 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CCNS(C)(=O)=O)=NC1=O ZINC001133350229 776665421 /nfs/dbraw/zinc/66/54/21/776665421.db2.gz CPXBWHMFTOMAIA-UHFFFAOYSA-N 1 1 305.360 -2.006 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133351494 776665447 /nfs/dbraw/zinc/66/54/47/776665447.db2.gz XBJRGUMOYPNXNR-ZETCQYMHSA-N 1 1 312.330 -1.711 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133351492 776665751 /nfs/dbraw/zinc/66/57/51/776665751.db2.gz XBJRGUMOYPNXNR-SSDOTTSWSA-N 1 1 312.330 -1.711 20 0 DAADMO COC[C@@H](OC)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001133516725 776669862 /nfs/dbraw/zinc/66/98/62/776669862.db2.gz DLYBGPWNSXBBFZ-SNVBAGLBSA-N 1 1 313.358 -1.325 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cccc(=O)n1C)c1nnnn1C ZINC001133643210 776673977 /nfs/dbraw/zinc/67/39/77/776673977.db2.gz JPBKNVGOJRORPC-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO CCc1c(C(=O)NCC[NH2+]Cc2nnnn2C)nnn1CC ZINC001133742793 776675029 /nfs/dbraw/zinc/67/50/29/776675029.db2.gz DPYBKCYOWNZMFS-UHFFFAOYSA-N 1 1 307.362 -1.097 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133752962 776675553 /nfs/dbraw/zinc/67/55/53/776675553.db2.gz HFUVTBYWBIATTQ-ZDUSSCGKSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(C(N)=O)co1)c1nnnn1C ZINC001133713863 776675895 /nfs/dbraw/zinc/67/58/95/776675895.db2.gz XZWFSKMYVSZSMK-ZETCQYMHSA-N 1 1 307.314 -1.017 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)O1 ZINC001133774314 776676640 /nfs/dbraw/zinc/67/66/40/776676640.db2.gz VCCMRAWFWRTDBA-VHSXEESVSA-N 1 1 323.357 -1.753 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133960972 776685187 /nfs/dbraw/zinc/68/51/87/776685187.db2.gz UXBPONQEXGZKEQ-UHFFFAOYSA-N 1 1 319.373 -1.414 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725437 776688444 /nfs/dbraw/zinc/68/84/44/776688444.db2.gz FAAFUNPWMLXFLZ-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO COCCCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170717497 776688514 /nfs/dbraw/zinc/68/85/14/776688514.db2.gz SAEFECANLRECQF-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134037022 776688689 /nfs/dbraw/zinc/68/86/89/776688689.db2.gz OPKUWPIEZQPMPM-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001134037022 776688692 /nfs/dbraw/zinc/68/86/92/776688692.db2.gz OPKUWPIEZQPMPM-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO Cc1cc(C(=O)NCC[NH2+]Cc2nnnn2C)ncc1C(N)=O ZINC001134090018 776688753 /nfs/dbraw/zinc/68/87/53/776688753.db2.gz DMVGNRUTGVNTKD-UHFFFAOYSA-N 1 1 318.341 -1.468 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001134025258 776688815 /nfs/dbraw/zinc/68/88/15/776688815.db2.gz SCSZIFRPCGFYEB-UHFFFAOYSA-N 1 1 307.314 -1.161 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134037129 776689517 /nfs/dbraw/zinc/68/95/17/776689517.db2.gz SEGOZOARFNLFMG-MRVPVSSYSA-N 1 1 311.346 -1.713 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134037129 776689522 /nfs/dbraw/zinc/68/95/22/776689522.db2.gz SEGOZOARFNLFMG-MRVPVSSYSA-N 1 1 311.346 -1.713 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC1CCOCC1 ZINC001170717512 776689569 /nfs/dbraw/zinc/68/95/69/776689569.db2.gz TXRWTLBKHJMRLV-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099257 776690581 /nfs/dbraw/zinc/69/05/81/776690581.db2.gz OUDVNOSPCDVXQE-SECBINFHSA-N 1 1 320.361 -1.945 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099522 776691227 /nfs/dbraw/zinc/69/12/27/776691227.db2.gz SPMOQEBNGVZTAJ-SNVBAGLBSA-N 1 1 319.373 -1.340 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CN1CN=NC1=O ZINC001134135052 776692944 /nfs/dbraw/zinc/69/29/44/776692944.db2.gz RHKYUMPNLLPBDZ-IUCAKERBSA-N 1 1 323.361 -1.420 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC001090518248 776696276 /nfs/dbraw/zinc/69/62/76/776696276.db2.gz BPCFQWARYZOIEA-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC001090518248 776696280 /nfs/dbraw/zinc/69/62/80/776696280.db2.gz BPCFQWARYZOIEA-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001134351323 776697510 /nfs/dbraw/zinc/69/75/10/776697510.db2.gz AJFPHNFXSBCDFB-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)nc1 ZINC001134352040 776697712 /nfs/dbraw/zinc/69/77/12/776697712.db2.gz HONQUDGRFYSZSA-JTQLQIEISA-N 1 1 315.399 -1.071 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)n1 ZINC001134351328 776697758 /nfs/dbraw/zinc/69/77/58/776697758.db2.gz AJFPHNFXSBCDFB-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353015 776699300 /nfs/dbraw/zinc/69/93/00/776699300.db2.gz QOAHKJZJPBDUDB-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353285 776699812 /nfs/dbraw/zinc/69/98/12/776699812.db2.gz SLUPTZBGNDKFAF-YUMQZZPRSA-N 1 1 318.403 -1.182 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353680 776699894 /nfs/dbraw/zinc/69/98/94/776699894.db2.gz WHAKNLFXGCCTHM-SSDOTTSWSA-N 1 1 304.376 -1.743 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001134461393 776702035 /nfs/dbraw/zinc/70/20/35/776702035.db2.gz SYRPLLARYYJTRU-QMMMGPOBSA-N 1 1 323.357 -1.268 20 0 DAADMO O=C(Cc1c[nH]cn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001134406874 776703166 /nfs/dbraw/zinc/70/31/66/776703166.db2.gz GFOGEVIINJDQJD-UHFFFAOYSA-N 1 1 305.342 -1.020 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134406901 776703382 /nfs/dbraw/zinc/70/33/82/776703382.db2.gz HHMPGDBDVKGUPY-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001134455297 776704178 /nfs/dbraw/zinc/70/41/78/776704178.db2.gz DPISWTFEHPDZFQ-SVRRBLITSA-N 1 1 309.330 -1.522 20 0 DAADMO O=C(NCC[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456236 776705202 /nfs/dbraw/zinc/70/52/02/776705202.db2.gz QUVFGXNBYIYIOE-NSHDSACASA-N 1 1 320.353 -1.367 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001134487616 776706941 /nfs/dbraw/zinc/70/69/41/776706941.db2.gz VENWEENVHCRWOZ-UHFFFAOYSA-N 1 1 319.391 -2.583 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1nncn1C ZINC001134487086 776707248 /nfs/dbraw/zinc/70/72/48/776707248.db2.gz IUBXIKAOGWYXBD-UHFFFAOYSA-N 1 1 319.391 -2.583 20 0 DAADMO CCCN1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001134508053 776708299 /nfs/dbraw/zinc/70/82/99/776708299.db2.gz RHYHXPLXVTWFEC-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001134614381 776711889 /nfs/dbraw/zinc/71/18/89/776711889.db2.gz WYUYYTDFZRQHHJ-VHSXEESVSA-N 1 1 309.374 -1.292 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001134614382 776712392 /nfs/dbraw/zinc/71/23/92/776712392.db2.gz WYUYYTDFZRQHHJ-ZJUUUORDSA-N 1 1 309.374 -1.292 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134667297 776716142 /nfs/dbraw/zinc/71/61/42/776716142.db2.gz DILHZCZPDRBKAB-UHFFFAOYSA-N 1 1 321.337 -1.100 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134667379 776716274 /nfs/dbraw/zinc/71/62/74/776716274.db2.gz IQDJXQPJRNVLOQ-UHFFFAOYSA-N 1 1 303.388 -1.156 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134663481 776718685 /nfs/dbraw/zinc/71/86/85/776718685.db2.gz LLMDSOWITKKRAL-UHFFFAOYSA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134666059 776720061 /nfs/dbraw/zinc/72/00/61/776720061.db2.gz ZFNJNOWSIGFKDY-UHFFFAOYSA-N 1 1 320.353 -1.663 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cc(C)n(C)n1)C(N)=O ZINC001134829704 776723065 /nfs/dbraw/zinc/72/30/65/776723065.db2.gz OEJJSVRPFMFPRV-LBPRGKRZSA-N 1 1 324.385 -1.686 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cscn1)C(N)=O ZINC001134836709 776724583 /nfs/dbraw/zinc/72/45/83/776724583.db2.gz LZZNMHKAVBSXBL-JTQLQIEISA-N 1 1 313.383 -1.271 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn[nH]1 ZINC001134847985 776724622 /nfs/dbraw/zinc/72/46/22/776724622.db2.gz JZXZFCLSJLRSLH-RKDXNWHRSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn[nH]1 ZINC001134847984 776724634 /nfs/dbraw/zinc/72/46/34/776724634.db2.gz JZXZFCLSJLRSLH-IUCAKERBSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn[nH]1 ZINC001134847483 776724695 /nfs/dbraw/zinc/72/46/95/776724695.db2.gz CIWHPQDHJPDSSL-DTWKUNHWSA-N 1 1 318.403 -1.160 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cn(C)nn1)C(N)=O ZINC001134829928 776724715 /nfs/dbraw/zinc/72/47/15/776724715.db2.gz SKICZNNXBNPOCU-JTQLQIEISA-N 1 1 311.346 -2.599 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1cnn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001134847982 776724872 /nfs/dbraw/zinc/72/48/72/776724872.db2.gz JZXZFCLSJLRSLH-BDAKNGLRSA-N 1 1 323.357 -1.157 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ccn(C)n1)C(N)=O ZINC001134830127 776725654 /nfs/dbraw/zinc/72/56/54/776725654.db2.gz WTBCASMZPFJCCO-NSHDSACASA-N 1 1 310.358 -1.994 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001134842746 776725855 /nfs/dbraw/zinc/72/58/55/776725855.db2.gz DUWRYJNAFYLBJJ-JGVFFNPUSA-N 1 1 311.346 -1.253 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001135001811 776733668 /nfs/dbraw/zinc/73/36/68/776733668.db2.gz MHFGJKVGCTVGAB-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079911 776734334 /nfs/dbraw/zinc/73/43/34/776734334.db2.gz GREVDCNHRKFGRW-JTQLQIEISA-N 1 1 317.415 -1.157 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095970 776735286 /nfs/dbraw/zinc/73/52/86/776735286.db2.gz YCEKHCODLVJXOD-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095970 776735294 /nfs/dbraw/zinc/73/52/94/776735294.db2.gz YCEKHCODLVJXOD-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001135080652 776735816 /nfs/dbraw/zinc/73/58/16/776735816.db2.gz ZDNMJJSZHARZJH-SECBINFHSA-N 1 1 310.358 -1.250 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126048 776737034 /nfs/dbraw/zinc/73/70/34/776737034.db2.gz MPJQZHSITQCYME-QMMMGPOBSA-N 1 1 317.375 -2.550 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126046 776737763 /nfs/dbraw/zinc/73/77/63/776737763.db2.gz MPJQZHSITQCYME-MRVPVSSYSA-N 1 1 317.375 -2.550 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135127213 776737799 /nfs/dbraw/zinc/73/77/99/776737799.db2.gz ZOBIDVSIKWBHHA-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO CN1CC[C@H](C(=O)NCC[NH2+]Cc2cnns2)S1(=O)=O ZINC001135135649 776739279 /nfs/dbraw/zinc/73/92/79/776739279.db2.gz ZWKGOYWINDHPOQ-SECBINFHSA-N 1 1 319.412 -1.222 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)[nH]1 ZINC001135135109 776739638 /nfs/dbraw/zinc/73/96/38/776739638.db2.gz LOHWKYRLBTYDCT-VIFPVBQESA-N 1 1 316.387 -1.647 20 0 DAADMO O=C(NCC[NH2+]Cc1cnns1)C1CC2(C1)NC(=O)NC2=O ZINC001135159175 776741089 /nfs/dbraw/zinc/74/10/89/776741089.db2.gz PEWFNFGSXJZEPI-UHFFFAOYSA-N 1 1 324.366 -1.268 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCCS(C)(=O)=O)nn1 ZINC001135209570 776742281 /nfs/dbraw/zinc/74/22/81/776742281.db2.gz SHLXFMMLVMHNLI-UHFFFAOYSA-N 1 1 303.388 -1.154 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1nnn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001135213804 776743392 /nfs/dbraw/zinc/74/33/92/776743392.db2.gz BKXICPWXXLZQJS-SFYZADRCSA-N 1 1 308.350 -1.580 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)nn1C ZINC001135269607 776747598 /nfs/dbraw/zinc/74/75/98/776747598.db2.gz PEYNQHSMWFPRNN-UHFFFAOYSA-N 1 1 307.354 -1.013 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NCC[NH2+]Cc1cnns1 ZINC001135391145 776752916 /nfs/dbraw/zinc/75/29/16/776752916.db2.gz UINHACJCCSUIFK-UHFFFAOYSA-N 1 1 324.366 -1.316 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1nccn1C ZINC001135387798 776754549 /nfs/dbraw/zinc/75/45/49/776754549.db2.gz YCGHRCWAWOHVEU-NSHDSACASA-N 1 1 324.385 -1.604 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001135443629 776754900 /nfs/dbraw/zinc/75/49/00/776754900.db2.gz BJALVXKXFNIXAD-UHFFFAOYSA-N 1 1 323.357 -1.636 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)s1 ZINC001135440513 776757564 /nfs/dbraw/zinc/75/75/64/776757564.db2.gz NAQXPDBWWFGRDE-UHFFFAOYSA-N 1 1 312.355 -1.396 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)n1C ZINC001135439978 776757850 /nfs/dbraw/zinc/75/78/50/776757850.db2.gz BAGKZBANEIHMPT-UHFFFAOYSA-N 1 1 323.357 -1.865 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)ccc1=O ZINC001135482388 776757860 /nfs/dbraw/zinc/75/78/60/776757860.db2.gz AJPQZKIGCIDAHO-VIFPVBQESA-N 1 1 320.357 -1.133 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)C2CCOCC2)n1 ZINC001135474447 776757867 /nfs/dbraw/zinc/75/78/67/776757867.db2.gz QBUACDCFPCKSJN-UHFFFAOYSA-N 1 1 324.385 -1.436 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)nn1 ZINC001135441118 776758515 /nfs/dbraw/zinc/75/85/15/776758515.db2.gz ZSMFHCWIFJEHNX-UHFFFAOYSA-N 1 1 323.357 -1.383 20 0 DAADMO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1ncn[nH]1 ZINC001135520553 776759150 /nfs/dbraw/zinc/75/91/50/776759150.db2.gz LWCAWFBARFSTKZ-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1nc[nH]n1 ZINC001135520553 776759152 /nfs/dbraw/zinc/75/91/52/776759152.db2.gz LWCAWFBARFSTKZ-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)c1ncn[nH]1 ZINC001135526005 776759166 /nfs/dbraw/zinc/75/91/66/776759166.db2.gz NCAJBRRTMYYZSS-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)c1nc[nH]n1 ZINC001135526005 776759169 /nfs/dbraw/zinc/75/91/69/776759169.db2.gz NCAJBRRTMYYZSS-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135524156 776759301 /nfs/dbraw/zinc/75/93/01/776759301.db2.gz RFEFCOMGVMGXFQ-VHSXEESVSA-N 1 1 301.347 -1.464 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135524156 776759313 /nfs/dbraw/zinc/75/93/13/776759313.db2.gz RFEFCOMGVMGXFQ-VHSXEESVSA-N 1 1 301.347 -1.464 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)c1ncn[nH]1 ZINC001135526006 776759604 /nfs/dbraw/zinc/75/96/04/776759604.db2.gz NCAJBRRTMYYZSS-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)c1nc[nH]n1 ZINC001135526006 776759613 /nfs/dbraw/zinc/75/96/13/776759613.db2.gz NCAJBRRTMYYZSS-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3ncn[nH]3)C2=O)cn1 ZINC001135526238 776759938 /nfs/dbraw/zinc/75/99/38/776759938.db2.gz XHWAVGDQOCRQBI-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)c3nc[nH]n3)C2=O)cn1 ZINC001135526238 776759946 /nfs/dbraw/zinc/75/99/46/776759946.db2.gz XHWAVGDQOCRQBI-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135520898 776760068 /nfs/dbraw/zinc/76/00/68/776760068.db2.gz RGEJMUJAIKAWFD-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135520898 776760072 /nfs/dbraw/zinc/76/00/72/776760072.db2.gz RGEJMUJAIKAWFD-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+]Cc2cnn(C)n2)ccc1=O ZINC001135482392 776760334 /nfs/dbraw/zinc/76/03/34/776760334.db2.gz AQOZQCSLTWHAEG-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)NC(=O)NC1CCCC1 ZINC001135520480 776760599 /nfs/dbraw/zinc/76/05/99/776760599.db2.gz KGGVLOFMNWNSGG-UHFFFAOYSA-N 1 1 323.357 -1.108 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)NC(=O)NC1CCCC1 ZINC001135520480 776760601 /nfs/dbraw/zinc/76/06/01/776760601.db2.gz KGGVLOFMNWNSGG-UHFFFAOYSA-N 1 1 323.357 -1.108 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135524154 776760628 /nfs/dbraw/zinc/76/06/28/776760628.db2.gz RFEFCOMGVMGXFQ-UWVGGRQHSA-N 1 1 301.347 -1.464 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135524154 776760632 /nfs/dbraw/zinc/76/06/32/776760632.db2.gz RFEFCOMGVMGXFQ-UWVGGRQHSA-N 1 1 301.347 -1.464 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1ncn[nH]1 ZINC001135526162 776760665 /nfs/dbraw/zinc/76/06/65/776760665.db2.gz UEBORYYISMICJG-MRVPVSSYSA-N 1 1 310.314 -2.366 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1nc[nH]n1 ZINC001135526162 776760668 /nfs/dbraw/zinc/76/06/68/776760668.db2.gz UEBORYYISMICJG-MRVPVSSYSA-N 1 1 310.314 -2.366 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2ncn[nH]2)C1=O ZINC001135529187 776761663 /nfs/dbraw/zinc/76/16/63/776761663.db2.gz IJGCGFNJLARLHS-UHFFFAOYSA-N 1 1 309.330 -1.546 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2nc[nH]n2)C1=O ZINC001135529187 776761669 /nfs/dbraw/zinc/76/16/69/776761669.db2.gz IJGCGFNJLARLHS-UHFFFAOYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1ncn[nH]1)C(=O)N(C)C ZINC001135529533 776761730 /nfs/dbraw/zinc/76/17/30/776761730.db2.gz WKOFSSREBFXJLO-MRVPVSSYSA-N 1 1 311.346 -2.283 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001135529533 776761735 /nfs/dbraw/zinc/76/17/35/776761735.db2.gz WKOFSSREBFXJLO-MRVPVSSYSA-N 1 1 311.346 -2.283 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135529031 776762021 /nfs/dbraw/zinc/76/20/21/776762021.db2.gz BTFZCSPTCZBSCY-QMMMGPOBSA-N 1 1 311.346 -1.253 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135529031 776762024 /nfs/dbraw/zinc/76/20/24/776762024.db2.gz BTFZCSPTCZBSCY-QMMMGPOBSA-N 1 1 311.346 -1.253 20 0 DAADMO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135529304 776762043 /nfs/dbraw/zinc/76/20/43/776762043.db2.gz NQOFSHQGVPIZLF-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135529304 776762045 /nfs/dbraw/zinc/76/20/45/776762045.db2.gz NQOFSHQGVPIZLF-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001135529008 776762082 /nfs/dbraw/zinc/76/20/82/776762082.db2.gz BDDJOZRKJWSMRE-SSDOTTSWSA-N 1 1 309.330 -1.499 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC(=O)NC1CC1 ZINC001135529008 776762086 /nfs/dbraw/zinc/76/20/86/776762086.db2.gz BDDJOZRKJWSMRE-SSDOTTSWSA-N 1 1 309.330 -1.499 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ncn[nH]1 ZINC001135529380 776762161 /nfs/dbraw/zinc/76/21/61/776762161.db2.gz QFEFWZOAUGKRSA-GHMZBOCLSA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1nc[nH]n1 ZINC001135529380 776762165 /nfs/dbraw/zinc/76/21/65/776762165.db2.gz QFEFWZOAUGKRSA-GHMZBOCLSA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001135677428 776766854 /nfs/dbraw/zinc/76/68/54/776766854.db2.gz HOINQAHUQAGUKI-UHFFFAOYSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn[nH]1 ZINC001135734902 776768996 /nfs/dbraw/zinc/76/89/96/776768996.db2.gz POQQKZADSGSULV-IUCAKERBSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nc[nH]n1 ZINC001135734902 776769001 /nfs/dbraw/zinc/76/90/01/776769001.db2.gz POQQKZADSGSULV-IUCAKERBSA-N 1 1 318.403 -1.160 20 0 DAADMO O=C(Cc1ncc[nH]1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001135754809 776769263 /nfs/dbraw/zinc/76/92/63/776769263.db2.gz IJMYCBXLCXQHOJ-UHFFFAOYSA-N 1 1 305.342 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncn[nH]1 ZINC001135735719 776769711 /nfs/dbraw/zinc/76/97/11/776769711.db2.gz UPEFDDOGVDWHRF-YUMQZZPRSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001135735719 776769716 /nfs/dbraw/zinc/76/97/16/776769716.db2.gz UPEFDDOGVDWHRF-YUMQZZPRSA-N 1 1 311.346 -1.253 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1)c1nnnn1C ZINC001135809598 776772638 /nfs/dbraw/zinc/77/26/38/776772638.db2.gz DVCFKFOBDNVDFN-ZETCQYMHSA-N 1 1 306.330 -1.282 20 0 DAADMO O=C(C[NH2+]CCNC(=O)C(=O)NCC1CC1)Nc1cnccn1 ZINC001135905594 776772850 /nfs/dbraw/zinc/77/28/50/776772850.db2.gz CJVRXWMGZOXINW-UHFFFAOYSA-N 1 1 320.353 -1.353 20 0 DAADMO C[NH+]1CCC(OCC(=O)NCCNCCS(C)(=O)=O)CC1 ZINC001135959373 776775580 /nfs/dbraw/zinc/77/55/80/776775580.db2.gz PRHQMLCFVGUSRH-UHFFFAOYSA-N 1 1 321.443 -1.152 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCn2cnccc2=O)n1 ZINC001136019663 776777368 /nfs/dbraw/zinc/77/73/68/776777368.db2.gz UAIFYQJCEFGVHW-UHFFFAOYSA-N 1 1 305.342 -1.332 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001136129368 776780785 /nfs/dbraw/zinc/78/07/85/776780785.db2.gz IXPSWELRTORLLW-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cncn1 ZINC001136131473 776781227 /nfs/dbraw/zinc/78/12/27/776781227.db2.gz ZPXFLJYUERPONW-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001136130325 776781257 /nfs/dbraw/zinc/78/12/57/776781257.db2.gz YTHYNZLTPWLAJJ-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001136187524 776782062 /nfs/dbraw/zinc/78/20/62/776782062.db2.gz DFTXEAHSQKUEEA-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001090531864 776783031 /nfs/dbraw/zinc/78/30/31/776783031.db2.gz ONBKLIOGPLKAHW-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531544 776783216 /nfs/dbraw/zinc/78/32/16/776783216.db2.gz MDLMIMANWBADJE-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531544 776783223 /nfs/dbraw/zinc/78/32/23/776783223.db2.gz MDLMIMANWBADJE-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001090532186 776783954 /nfs/dbraw/zinc/78/39/54/776783954.db2.gz AOUHELKSWPINRJ-NXEZZACHSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001090532186 776783958 /nfs/dbraw/zinc/78/39/58/776783958.db2.gz AOUHELKSWPINRJ-NXEZZACHSA-N 1 1 314.342 -3.118 20 0 DAADMO CN(C)c1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090531574 776784061 /nfs/dbraw/zinc/78/40/61/776784061.db2.gz MHUGAEZYNIOQGA-NWDGAFQWSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)ccn1 ZINC001090531574 776784065 /nfs/dbraw/zinc/78/40/65/776784065.db2.gz MHUGAEZYNIOQGA-NWDGAFQWSA-N 1 1 321.381 -1.316 20 0 DAADMO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531541 776784119 /nfs/dbraw/zinc/78/41/19/776784119.db2.gz MDLMIMANWBADJE-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090531541 776784123 /nfs/dbraw/zinc/78/41/23/776784123.db2.gz MDLMIMANWBADJE-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001090532650 776784653 /nfs/dbraw/zinc/78/46/53/776784653.db2.gz DEBYCKKLCMYQSI-STQMWFEESA-N 1 1 307.350 -1.284 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532301 776784681 /nfs/dbraw/zinc/78/46/81/776784681.db2.gz BDESVQDTUGKAGX-RYUDHWBXSA-N 1 1 309.370 -1.518 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001090532649 776785196 /nfs/dbraw/zinc/78/51/96/776785196.db2.gz DEBYCKKLCMYQSI-QWHCGFSZSA-N 1 1 307.350 -1.284 20 0 DAADMO COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533186 776786701 /nfs/dbraw/zinc/78/67/01/776786701.db2.gz XDZSHFDCYXDXCK-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533186 776786706 /nfs/dbraw/zinc/78/67/06/776786706.db2.gz XDZSHFDCYXDXCK-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533553 776786910 /nfs/dbraw/zinc/78/69/10/776786910.db2.gz IPEIZIBMTXWXHL-GXSJLCMTSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533553 776786915 /nfs/dbraw/zinc/78/69/15/776786915.db2.gz IPEIZIBMTXWXHL-GXSJLCMTSA-N 1 1 310.358 -1.857 20 0 DAADMO COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533187 776787140 /nfs/dbraw/zinc/78/71/40/776787140.db2.gz XDZSHFDCYXDXCK-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ncccc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533187 776787146 /nfs/dbraw/zinc/78/71/46/776787146.db2.gz XDZSHFDCYXDXCK-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533185 776787280 /nfs/dbraw/zinc/78/72/80/776787280.db2.gz XDZSHFDCYXDXCK-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533185 776787282 /nfs/dbraw/zinc/78/72/82/776787282.db2.gz XDZSHFDCYXDXCK-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001090541957 776789520 /nfs/dbraw/zinc/78/95/20/776789520.db2.gz YHZFQQVJSNEZLK-BDAKNGLRSA-N 1 1 312.326 -2.828 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001090574821 776792130 /nfs/dbraw/zinc/79/21/30/776792130.db2.gz XTUOMSUOUCPIRY-JOYOIKCWSA-N 1 1 310.354 -1.075 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001090563613 776792483 /nfs/dbraw/zinc/79/24/83/776792483.db2.gz OMISQDXTZHXHCD-BDAKNGLRSA-N 1 1 317.371 -1.758 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC001090584670 776793286 /nfs/dbraw/zinc/79/32/86/776793286.db2.gz UWDOZDOUALFGLV-WCQYABFASA-N 1 1 322.365 -1.354 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090582053 776794394 /nfs/dbraw/zinc/79/43/94/776794394.db2.gz UZCTUDLNXBWUHL-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090582053 776794398 /nfs/dbraw/zinc/79/43/98/776794398.db2.gz UZCTUDLNXBWUHL-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090601665 776796524 /nfs/dbraw/zinc/79/65/24/776796524.db2.gz VFBVSSMUCGENAK-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001090601665 776796534 /nfs/dbraw/zinc/79/65/34/776796534.db2.gz VFBVSSMUCGENAK-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)c1 ZINC001090608296 776797613 /nfs/dbraw/zinc/79/76/13/776797613.db2.gz CPUXQPZDYVQRPF-CHWSQXEVSA-N 1 1 309.366 -1.300 20 0 DAADMO COc1c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(C)nn1C ZINC001090614590 776797713 /nfs/dbraw/zinc/79/77/13/776797713.db2.gz ALKNNLIPYLIGSN-GHMZBOCLSA-N 1 1 312.370 -1.106 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001090639324 776799794 /nfs/dbraw/zinc/79/97/94/776799794.db2.gz XCHKKVPLUNWTII-RYUDHWBXSA-N 1 1 324.385 -1.250 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150622 776800260 /nfs/dbraw/zinc/80/02/60/776800260.db2.gz ODPIIOHTMFIXPX-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150622 776800273 /nfs/dbraw/zinc/80/02/73/776800273.db2.gz ODPIIOHTMFIXPX-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641248 776800625 /nfs/dbraw/zinc/80/06/25/776800625.db2.gz OJAQGIYXNWOVST-WDEREUQCSA-N 1 1 313.354 -2.027 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090655944 776807534 /nfs/dbraw/zinc/80/75/34/776807534.db2.gz XWNBDUXQQKYGIQ-PWSUYJOCSA-N 1 1 310.354 -1.580 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090655503 776807831 /nfs/dbraw/zinc/80/78/31/776807831.db2.gz SFGYHGQXSPSCND-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090653670 776807878 /nfs/dbraw/zinc/80/78/78/776807878.db2.gz XTKJURFLVPZZOA-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)[C@H](O)C2)cn1 ZINC001090657596 776809464 /nfs/dbraw/zinc/80/94/64/776809464.db2.gz DAJCABUIISBPPU-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC001090657596 776809475 /nfs/dbraw/zinc/80/94/75/776809475.db2.gz DAJCABUIISBPPU-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC001090657596 776809486 /nfs/dbraw/zinc/80/94/86/776809486.db2.gz DAJCABUIISBPPU-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)[C@H](O)C2)cn1 ZINC001090657600 776809788 /nfs/dbraw/zinc/80/97/88/776809788.db2.gz DAJCABUIISBPPU-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC001090657600 776809799 /nfs/dbraw/zinc/80/97/99/776809799.db2.gz DAJCABUIISBPPU-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)[C@H](O)C2)cn1 ZINC001090657600 776809809 /nfs/dbraw/zinc/80/98/09/776809809.db2.gz DAJCABUIISBPPU-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1nnc[nH]1 ZINC001090658369 776810428 /nfs/dbraw/zinc/81/04/28/776810428.db2.gz XMNRJDVTPGTMEN-WDEREUQCSA-N 1 1 322.369 -1.408 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001090658335 776811948 /nfs/dbraw/zinc/81/19/48/776811948.db2.gz WWLAXVFAZPBRQH-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001090658196 776812085 /nfs/dbraw/zinc/81/20/85/776812085.db2.gz SGLRAUXZUWCJGA-VHSXEESVSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnon1 ZINC001090658776 776812537 /nfs/dbraw/zinc/81/25/37/776812537.db2.gz BCCQXAOKNCINFL-ONGXEEELSA-N 1 1 324.341 -1.740 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001090657493 776812605 /nfs/dbraw/zinc/81/26/05/776812605.db2.gz CBTMYTSADCRFMG-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1)C1CC1 ZINC001090661127 776813400 /nfs/dbraw/zinc/81/34/00/776813400.db2.gz YVLPUZXXRNXBLH-PWSUYJOCSA-N 1 1 323.353 -1.145 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](O)C1)C1CC1 ZINC001090661127 776813408 /nfs/dbraw/zinc/81/34/08/776813408.db2.gz YVLPUZXXRNXBLH-PWSUYJOCSA-N 1 1 323.353 -1.145 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC001090660771 776813571 /nfs/dbraw/zinc/81/35/71/776813571.db2.gz VNZGQGQZEZHYAJ-CMPLNLGQSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC001090660771 776813577 /nfs/dbraw/zinc/81/35/77/776813577.db2.gz VNZGQGQZEZHYAJ-CMPLNLGQSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1)C1CC1 ZINC001090661125 776813789 /nfs/dbraw/zinc/81/37/89/776813789.db2.gz YVLPUZXXRNXBLH-JQWIXIFHSA-N 1 1 323.353 -1.145 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](O)C1)C1CC1 ZINC001090661125 776813797 /nfs/dbraw/zinc/81/37/97/776813797.db2.gz YVLPUZXXRNXBLH-JQWIXIFHSA-N 1 1 323.353 -1.145 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090666137 776815927 /nfs/dbraw/zinc/81/59/27/776815927.db2.gz CQGWQXRGWSDWIY-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090666137 776815940 /nfs/dbraw/zinc/81/59/40/776815940.db2.gz CQGWQXRGWSDWIY-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090666134 776816316 /nfs/dbraw/zinc/81/63/16/776816316.db2.gz CQGWQXRGWSDWIY-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090666134 776816326 /nfs/dbraw/zinc/81/63/26/776816326.db2.gz CQGWQXRGWSDWIY-CMPLNLGQSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090666139 776817175 /nfs/dbraw/zinc/81/71/75/776817175.db2.gz CQGWQXRGWSDWIY-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1 ZINC001090666139 776817178 /nfs/dbraw/zinc/81/71/78/776817178.db2.gz CQGWQXRGWSDWIY-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090662819 776817240 /nfs/dbraw/zinc/81/72/40/776817240.db2.gz IPLGWWMHRPZLDA-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090662819 776817250 /nfs/dbraw/zinc/81/72/50/776817250.db2.gz IPLGWWMHRPZLDA-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CS(=O)(=O)N1CCC[C@H](C[N@@H+](CCO)CCOCCO)C1 ZINC001171019420 776820810 /nfs/dbraw/zinc/82/08/10/776820810.db2.gz WFIMYZNCVVJOGY-CYBMUJFWSA-N 1 1 324.443 -1.039 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090680363 776821269 /nfs/dbraw/zinc/82/12/69/776821269.db2.gz UWGNMGWGDXIWFX-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC001090676524 776821317 /nfs/dbraw/zinc/82/13/17/776821317.db2.gz PLVDQVLFKHVPQZ-ZYHUDNBSSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090709349 776826771 /nfs/dbraw/zinc/82/67/71/776826771.db2.gz LULPBYNPBSYBSA-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090721511 776829030 /nfs/dbraw/zinc/82/90/30/776829030.db2.gz AGDNSYFFJFGJKZ-WCBMZHEXSA-N 1 1 306.326 -1.398 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090716561 776829748 /nfs/dbraw/zinc/82/97/48/776829748.db2.gz RCUMTPSBXCXAAJ-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090716561 776829761 /nfs/dbraw/zinc/82/97/61/776829761.db2.gz RCUMTPSBXCXAAJ-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090716561 776829769 /nfs/dbraw/zinc/82/97/69/776829769.db2.gz RCUMTPSBXCXAAJ-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC001090722603 776830000 /nfs/dbraw/zinc/83/00/00/776830000.db2.gz OEVSIXCEOHHNBD-PWSUYJOCSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@H]3O)n2n1 ZINC001090722601 776830880 /nfs/dbraw/zinc/83/08/80/776830880.db2.gz OEVSIXCEOHHNBD-CMPLNLGQSA-N 1 1 320.353 -1.410 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090716316 776831121 /nfs/dbraw/zinc/83/11/21/776831121.db2.gz NQRRYXRNNVJYNJ-QWRGUYRKSA-N 1 1 320.357 -1.810 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090723931 776831579 /nfs/dbraw/zinc/83/15/79/776831579.db2.gz ZKIRKGNZDMBNFB-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001090724466 776831857 /nfs/dbraw/zinc/83/18/57/776831857.db2.gz JPSYFKBEFIFKQE-PSASIEDQSA-N 1 1 322.325 -2.425 20 0 DAADMO O=C([C@@H]1C[C@@H](NC[C@@H]2COCCN2)C[NH2+]1)N1CCSC1 ZINC001246278693 776832437 /nfs/dbraw/zinc/83/24/37/776832437.db2.gz MAAZHEKVENDXBP-UTUOFQBUSA-N 1 1 300.428 -1.172 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090731377 776832820 /nfs/dbraw/zinc/83/28/20/776832820.db2.gz QVJMFAAEYVGTQL-VHSXEESVSA-N 1 1 311.338 -1.047 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090724420 776834123 /nfs/dbraw/zinc/83/41/23/776834123.db2.gz IWOBNKLMPGGOHI-MWLCHTKSSA-N 1 1 320.353 -1.007 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090734795 776836709 /nfs/dbraw/zinc/83/67/09/776836709.db2.gz QFXMZVNWUZCETN-DGCLKSJQSA-N 1 1 322.365 -1.402 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001171038667 776836871 /nfs/dbraw/zinc/83/68/71/776836871.db2.gz VTBXUWYGQZANTR-MRVPVSSYSA-N 1 1 323.357 -1.800 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001171038667 776836881 /nfs/dbraw/zinc/83/68/81/776836881.db2.gz VTBXUWYGQZANTR-MRVPVSSYSA-N 1 1 323.357 -1.800 20 0 DAADMO Cn1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001090736712 776837633 /nfs/dbraw/zinc/83/76/33/776837633.db2.gz KAOWITBOCXTASM-CHWSQXEVSA-N 1 1 309.366 -1.067 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c(=O)n1C ZINC001090771817 776841387 /nfs/dbraw/zinc/84/13/87/776841387.db2.gz WXGIBECUJWELRK-GHMZBOCLSA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c(=O)n1C ZINC001090771817 776841394 /nfs/dbraw/zinc/84/13/94/776841394.db2.gz WXGIBECUJWELRK-GHMZBOCLSA-N 1 1 315.349 -1.589 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090791915 776843627 /nfs/dbraw/zinc/84/36/27/776843627.db2.gz XLXRMZUNJAIRKK-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001090785490 776843711 /nfs/dbraw/zinc/84/37/11/776843711.db2.gz ZSMXMDCFWIWVDD-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](O)C1 ZINC001090785482 776843926 /nfs/dbraw/zinc/84/39/26/776843926.db2.gz ZSMXMDCFWIWVDD-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786547 776844066 /nfs/dbraw/zinc/84/40/66/776844066.db2.gz HIBNGURVKOFQKZ-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786547 776844076 /nfs/dbraw/zinc/84/40/76/776844076.db2.gz HIBNGURVKOFQKZ-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787926 776844226 /nfs/dbraw/zinc/84/42/26/776844226.db2.gz VUEXFGQTOOVXDB-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787926 776844233 /nfs/dbraw/zinc/84/42/33/776844233.db2.gz VUEXFGQTOOVXDB-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090791960 776844281 /nfs/dbraw/zinc/84/42/81/776844281.db2.gz XWVBEOLTOKSYRZ-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090794355 776846720 /nfs/dbraw/zinc/84/67/20/776846720.db2.gz OZYKBQXKHPZPBC-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090794739 776848604 /nfs/dbraw/zinc/84/86/04/776848604.db2.gz SWKGIHACXIXZTP-MNOVXSKESA-N 1 1 312.370 -1.160 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090792671 776849078 /nfs/dbraw/zinc/84/90/78/776849078.db2.gz GKXYVROEFZCIDQ-DTWKUNHWSA-N 1 1 309.326 -2.267 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090792838 776849463 /nfs/dbraw/zinc/84/94/63/776849463.db2.gz AXMXCBBNMYISOR-NEPJUHHUSA-N 1 1 314.386 -1.679 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1=O ZINC001090805787 776851353 /nfs/dbraw/zinc/85/13/53/776851353.db2.gz PUXDNRMMKLUGLQ-VHSXEESVSA-N 1 1 312.326 -2.357 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]1 ZINC001090807152 776851905 /nfs/dbraw/zinc/85/19/05/776851905.db2.gz YLRJVXWHXJJDRB-CHWSQXEVSA-N 1 1 324.381 -1.115 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090799708 776851947 /nfs/dbraw/zinc/85/19/47/776851947.db2.gz WJTCOBIGLYKYQY-STQMWFEESA-N 1 1 309.366 -1.218 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090809064 776853122 /nfs/dbraw/zinc/85/31/22/776853122.db2.gz RCGGDIOPIMPZME-WDEREUQCSA-N 1 1 320.353 -1.790 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001090809575 776854214 /nfs/dbraw/zinc/85/42/14/776854214.db2.gz UPDWDMVMYBLRSW-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808392 776854366 /nfs/dbraw/zinc/85/43/66/776854366.db2.gz KAIAQBQWWOCYGG-VXGBXAGGSA-N 1 1 309.370 -1.511 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC001136976738 776854756 /nfs/dbraw/zinc/85/47/56/776854756.db2.gz ABHWHQLDUCUBBO-RZCHIYRCSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090818897 776855448 /nfs/dbraw/zinc/85/54/48/776855448.db2.gz XLZMVTFLCVWQHW-KBPBESRZSA-N 1 1 322.413 -1.075 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090818897 776855454 /nfs/dbraw/zinc/85/54/54/776855454.db2.gz XLZMVTFLCVWQHW-KBPBESRZSA-N 1 1 322.413 -1.075 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090815815 776855537 /nfs/dbraw/zinc/85/55/37/776855537.db2.gz NYSCSKCBZVUXTN-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@H](O)C1 ZINC001090822708 776856225 /nfs/dbraw/zinc/85/62/25/776856225.db2.gz CASDYLVCGDWOLU-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090833348 776856691 /nfs/dbraw/zinc/85/66/91/776856691.db2.gz LNLRGHCXPRPLRR-GXSJLCMTSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001090822713 776857274 /nfs/dbraw/zinc/85/72/74/776857274.db2.gz CASDYLVCGDWOLU-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001288065862 777888013 /nfs/dbraw/zinc/88/80/13/777888013.db2.gz BSPPQWVRAXRJLB-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001288116672 777892187 /nfs/dbraw/zinc/89/21/87/777892187.db2.gz NHUPWNVYUIRPLK-GARJFASQSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001288122596 777894149 /nfs/dbraw/zinc/89/41/49/777894149.db2.gz SHXDISIZRHKXIA-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)C(N)=O ZINC001288146882 777895437 /nfs/dbraw/zinc/89/54/37/777895437.db2.gz GOSUJSWQYNEUQZ-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO COCCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)C(N)=O ZINC001288247049 777896066 /nfs/dbraw/zinc/89/60/66/777896066.db2.gz YHXQOXJYCGUWGO-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCN(CCNC(=O)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001288240284 777896601 /nfs/dbraw/zinc/89/66/01/777896601.db2.gz DYULIBGUOMJYTG-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289042597 777905918 /nfs/dbraw/zinc/90/59/18/777905918.db2.gz JSIOSBKUKWUCOD-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001289459209 777910023 /nfs/dbraw/zinc/91/00/23/777910023.db2.gz CPSWIINQFZMHQA-GHMZBOCLSA-N 1 1 314.386 -1.456 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954700 777915585 /nfs/dbraw/zinc/91/55/85/777915585.db2.gz XMQJSUVSCUJIEC-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954700 777915591 /nfs/dbraw/zinc/91/55/91/777915591.db2.gz XMQJSUVSCUJIEC-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954698 777915822 /nfs/dbraw/zinc/91/58/22/777915822.db2.gz XMQJSUVSCUJIEC-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954698 777915828 /nfs/dbraw/zinc/91/58/28/777915828.db2.gz XMQJSUVSCUJIEC-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001289982175 777916719 /nfs/dbraw/zinc/91/67/19/777916719.db2.gz IPLXKKKITPJVQB-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001290785961 777923660 /nfs/dbraw/zinc/92/36/60/777923660.db2.gz HVUFXNUYHMUMHB-ZJUUUORDSA-N 1 1 300.359 -2.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001291744636 777926304 /nfs/dbraw/zinc/92/63/04/777926304.db2.gz AINXEQYEJKKHTD-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)CS(C)(=O)=O)C1 ZINC001292553591 777934645 /nfs/dbraw/zinc/93/46/45/777934645.db2.gz LPZGZNVQNSPUTJ-JTQLQIEISA-N 1 1 305.400 -1.395 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)CS(C)(=O)=O)C1 ZINC001292553592 777935075 /nfs/dbraw/zinc/93/50/75/777935075.db2.gz LPZGZNVQNSPUTJ-SNVBAGLBSA-N 1 1 305.400 -1.395 20 0 DAADMO CCNC(=O)CCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001292574871 777935900 /nfs/dbraw/zinc/93/59/00/777935900.db2.gz PQPFAKJJZQDRTC-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)CCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001292574871 777935907 /nfs/dbraw/zinc/93/59/07/777935907.db2.gz PQPFAKJJZQDRTC-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)C1(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001292608381 777937626 /nfs/dbraw/zinc/93/76/26/777937626.db2.gz PNHQAZSKNMBWDU-SNVBAGLBSA-N 1 1 312.370 -1.924 20 0 DAADMO CNC(=O)C1(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001292608381 777937629 /nfs/dbraw/zinc/93/76/29/777937629.db2.gz PNHQAZSKNMBWDU-SNVBAGLBSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2(NC(N)=O)CC2)C1 ZINC001292608988 777938682 /nfs/dbraw/zinc/93/86/82/777938682.db2.gz ULEPMXUYYSNUSW-SECBINFHSA-N 1 1 313.358 -2.250 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2(NC(N)=O)CC2)C1 ZINC001292608988 777938687 /nfs/dbraw/zinc/93/86/87/777938687.db2.gz ULEPMXUYYSNUSW-SECBINFHSA-N 1 1 313.358 -2.250 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cn(C)cn2)C1 ZINC001292638843 777938976 /nfs/dbraw/zinc/93/89/76/777938976.db2.gz QQUHZLIPLYVJSE-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cn(C)cn2)C1 ZINC001292638843 777938982 /nfs/dbraw/zinc/93/89/82/777938982.db2.gz QQUHZLIPLYVJSE-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001292700777 777944620 /nfs/dbraw/zinc/94/46/20/777944620.db2.gz WHGGMGUGAFQVLB-LLVKDONJSA-N 1 1 324.385 -1.230 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001292769744 777946416 /nfs/dbraw/zinc/94/64/16/777946416.db2.gz ILPAZBZCXPJIAG-VIFPVBQESA-N 1 1 322.325 -1.978 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)CCCS(C)(=O)=O)C1 ZINC001292767623 777946481 /nfs/dbraw/zinc/94/64/81/777946481.db2.gz LFNSMASASMECEZ-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1ncc(CCC(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001292766810 777946723 /nfs/dbraw/zinc/94/67/23/777946723.db2.gz HBAXGPVGXMIEHF-NSHDSACASA-N 1 1 308.386 -1.068 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001292768255 777947098 /nfs/dbraw/zinc/94/70/98/777947098.db2.gz RYVUNMMGRJVVOC-SNVBAGLBSA-N 1 1 305.400 -1.395 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NCCNC(=O)Cn1ncnn1 ZINC001292786800 777948621 /nfs/dbraw/zinc/94/86/21/777948621.db2.gz XCKHJCCFHSGPRB-UHFFFAOYSA-N 1 1 320.357 -1.109 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)Cn1ncn(C)c1=O ZINC001292856879 777951035 /nfs/dbraw/zinc/95/10/35/777951035.db2.gz LOSPZFXBPITRDK-UHFFFAOYSA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)N1C(=O)CCC1=O ZINC001292851840 777951447 /nfs/dbraw/zinc/95/14/47/777951447.db2.gz JPXRKJZMFUPLLX-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1nnc(C(=O)NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001292915973 777953570 /nfs/dbraw/zinc/95/35/70/777953570.db2.gz KILFYUAECUGWOI-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001292935283 777953887 /nfs/dbraw/zinc/95/38/87/777953887.db2.gz KCAYKHUSOPRHTP-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)[C@H]2CCCC[N@H+]2C)c1=O ZINC001292940388 777955032 /nfs/dbraw/zinc/95/50/32/777955032.db2.gz ZANNTSWWDYNZQA-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1=O ZINC001292939826 777955104 /nfs/dbraw/zinc/95/51/04/777955104.db2.gz RPWVXPGHLYJWFZ-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1=O ZINC001292939825 777955857 /nfs/dbraw/zinc/95/58/57/777955857.db2.gz RPWVXPGHLYJWFZ-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)CN1C(=O)CNC1=O ZINC001292984049 777956798 /nfs/dbraw/zinc/95/67/98/777956798.db2.gz SLFNLVNZRDAHAB-UHFFFAOYSA-N 1 1 322.325 -2.024 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)Cc1c[nH]cn1 ZINC001292983115 777957117 /nfs/dbraw/zinc/95/71/17/777957117.db2.gz QNMNOLLQWWQRSG-UHFFFAOYSA-N 1 1 309.370 -1.093 20 0 DAADMO NC(=O)CC(=O)NCCCNC(=O)CC[NH+]1CCOCC1 ZINC001293206201 777964695 /nfs/dbraw/zinc/96/46/95/777964695.db2.gz FWMPVDBKHDRNEW-UHFFFAOYSA-N 1 1 300.359 -1.793 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001293201182 777964774 /nfs/dbraw/zinc/96/47/74/777964774.db2.gz JQXOXRXGRWFJMM-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCn1nncc1C(=O)NCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001293214007 777965266 /nfs/dbraw/zinc/96/52/66/777965266.db2.gz XZORVTMDQKSLCT-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1nncc1C(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001293214007 777965273 /nfs/dbraw/zinc/96/52/73/777965273.db2.gz XZORVTMDQKSLCT-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CCNC(N)=O)C1 ZINC001293217016 777965770 /nfs/dbraw/zinc/96/57/70/777965770.db2.gz MPYYZBYNZKBLBT-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CCNC(N)=O)C1 ZINC001293217016 777965774 /nfs/dbraw/zinc/96/57/74/777965774.db2.gz MPYYZBYNZKBLBT-SNVBAGLBSA-N 1 1 315.374 -2.002 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)CN2C(=O)CCC2=O)C1 ZINC001293309214 777966628 /nfs/dbraw/zinc/96/66/28/777966628.db2.gz JSNIRFLNVZHFSO-NSHDSACASA-N 1 1 324.381 -1.290 20 0 DAADMO CN1C[C@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)NC1=O ZINC001293334476 777967989 /nfs/dbraw/zinc/96/79/89/777967989.db2.gz SWYTWUFFRUXDKB-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001293334852 777968484 /nfs/dbraw/zinc/96/84/84/777968484.db2.gz ZQFHMTOYCHAXPE-JTQLQIEISA-N 1 1 317.411 -1.395 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)[C@@H]1CCNC1=O ZINC001293338593 777968899 /nfs/dbraw/zinc/96/88/99/777968899.db2.gz UPUVZQXPSCXKGT-NSHDSACASA-N 1 1 307.354 -1.050 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001293468772 777970791 /nfs/dbraw/zinc/97/07/91/777970791.db2.gz ADVRRDCWYFEPAH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001293614212 777973443 /nfs/dbraw/zinc/97/34/43/777973443.db2.gz JGDZSBHFMIYNSE-MNOVXSKESA-N 1 1 322.369 -1.984 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)Cn2ncnn2)C1 ZINC001294096595 777978933 /nfs/dbraw/zinc/97/89/33/777978933.db2.gz MWNDOWJDPJZPIR-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC(=O)NCCC[NH+]1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001294646087 777986219 /nfs/dbraw/zinc/98/62/19/777986219.db2.gz XCWLVYXVTMBDPL-UHFFFAOYSA-N 1 1 310.358 -1.346 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(CCNC(=O)C(N)=O)CC1 ZINC001294687926 777987579 /nfs/dbraw/zinc/98/75/79/777987579.db2.gz UOLQSQBVTTVYKO-UHFFFAOYSA-N 1 1 313.402 -1.926 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001295356267 778002219 /nfs/dbraw/zinc/00/22/19/778002219.db2.gz XKXQIWAYMINDCS-HBYGRHMLSA-N 1 1 319.365 -1.099 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001295449473 778003208 /nfs/dbraw/zinc/00/32/08/778003208.db2.gz LVAOWFJSTMLSIU-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1C(=O)CCC1=O ZINC001295496391 778004958 /nfs/dbraw/zinc/00/49/58/778004958.db2.gz GVMAGZJGBXMSPX-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001295634029 778010214 /nfs/dbraw/zinc/01/02/14/778010214.db2.gz PQUVBVRBIMJSPO-NXEZZACHSA-N 1 1 310.358 -2.081 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001295634030 778010723 /nfs/dbraw/zinc/01/07/23/778010723.db2.gz PQUVBVRBIMJSPO-UWVGGRQHSA-N 1 1 310.358 -2.081 20 0 DAADMO CN(CCNC(=O)C(N)=O)C(=O)CCCC[NH+]1CCOCC1 ZINC001296213638 778020954 /nfs/dbraw/zinc/02/09/54/778020954.db2.gz DRWTYIUQEZUULU-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001297578225 778048959 /nfs/dbraw/zinc/04/89/59/778048959.db2.gz ZEAVNLKLIPFJQT-ONGXEEELSA-N 1 1 308.404 -2.046 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)C2 ZINC001298205343 778068034 /nfs/dbraw/zinc/06/80/34/778068034.db2.gz RPDBKMQPFSPDJV-KOLCDFICSA-N 1 1 323.353 -2.167 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNC(=O)Cn1ncnn1 ZINC001298420473 778075061 /nfs/dbraw/zinc/07/50/61/778075061.db2.gz XKZFVYPANPCPID-AAOUONPWSA-N 1 1 321.385 -1.054 20 0 DAADMO C[C@@H](C(=O)NCCCn1cc(CO)nn1)N1CC[NH+](C)CC1 ZINC001298924606 778089318 /nfs/dbraw/zinc/08/93/18/778089318.db2.gz LKVNTPYZYBULHW-LBPRGKRZSA-N 1 1 310.402 -1.087 20 0 DAADMO C[C@H](C(=O)NCCCn1cc(CO)nn1)N1CC[NH+](C)CC1 ZINC001298924605 778089411 /nfs/dbraw/zinc/08/94/11/778089411.db2.gz LKVNTPYZYBULHW-GFCCVEGCSA-N 1 1 310.402 -1.087 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001301605779 778095067 /nfs/dbraw/zinc/09/50/67/778095067.db2.gz YRXATUUXBFFSNM-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001301605779 778095073 /nfs/dbraw/zinc/09/50/73/778095073.db2.gz YRXATUUXBFFSNM-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNC(=O)c1cnccn1 ZINC001302792669 778096216 /nfs/dbraw/zinc/09/62/16/778096216.db2.gz DPQKZMRWHHBPDA-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)C[C@H]2C1=O ZINC001302541147 778096352 /nfs/dbraw/zinc/09/63/52/778096352.db2.gz HYNFIQHIYXHRQB-WRWGMCAJSA-N 1 1 309.366 -1.095 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC001307619097 778101956 /nfs/dbraw/zinc/10/19/56/778101956.db2.gz WCSOREBNGRAEIX-DTWKUNHWSA-N 1 1 304.372 -1.320 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1=O ZINC001307619097 778101957 /nfs/dbraw/zinc/10/19/57/778101957.db2.gz WCSOREBNGRAEIX-DTWKUNHWSA-N 1 1 304.372 -1.320 20 0 DAADMO C[NH+]1CCN(CC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001306839913 778102069 /nfs/dbraw/zinc/10/20/69/778102069.db2.gz UROPNTRSRHVQKV-UHFFFAOYSA-N 1 1 323.397 -1.129 20 0 DAADMO COC1(OC)CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C[C@@H]1O ZINC001119827033 779512727 /nfs/dbraw/zinc/51/27/27/779512727.db2.gz VMGNHUPVJWJEQA-UWVGGRQHSA-N 1 1 301.343 -1.018 20 0 DAADMO CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001119880634 779514814 /nfs/dbraw/zinc/51/48/14/779514814.db2.gz SHBMXNSSPKQLQH-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001119880634 779514822 /nfs/dbraw/zinc/51/48/22/779514822.db2.gz SHBMXNSSPKQLQH-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001119884676 779514914 /nfs/dbraw/zinc/51/49/14/779514914.db2.gz GZALXJHSFVYVQW-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001119884676 779514922 /nfs/dbraw/zinc/51/49/22/779514922.db2.gz GZALXJHSFVYVQW-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)CC[N@@H+](C)CC1)C(=O)N(C)C ZINC001119881630 779515215 /nfs/dbraw/zinc/51/52/15/779515215.db2.gz DTIJJTGRPLLQNT-ZDUSSCGKSA-N 1 1 313.446 -1.242 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001119910884 779515475 /nfs/dbraw/zinc/51/54/75/779515475.db2.gz BBJONPYOQUUNPW-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001119910884 779515477 /nfs/dbraw/zinc/51/54/77/779515477.db2.gz BBJONPYOQUUNPW-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO O=C1C[C@@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1CCCO ZINC001120080740 779516601 /nfs/dbraw/zinc/51/66/01/779516601.db2.gz XYCYDNHBWBHSQC-OUAUKWLOSA-N 1 1 316.379 -1.527 20 0 DAADMO O=C1C[C@@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C(=O)N1CCCO ZINC001120080740 779516604 /nfs/dbraw/zinc/51/66/04/779516604.db2.gz XYCYDNHBWBHSQC-OUAUKWLOSA-N 1 1 316.379 -1.527 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001120298712 779518058 /nfs/dbraw/zinc/51/80/58/779518058.db2.gz YVINCAGVMWDZHO-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001120298712 779518060 /nfs/dbraw/zinc/51/80/60/779518060.db2.gz YVINCAGVMWDZHO-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001120358619 779518907 /nfs/dbraw/zinc/51/89/07/779518907.db2.gz XNDUDKMJGFWMTP-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001120358619 779518911 /nfs/dbraw/zinc/51/89/11/779518911.db2.gz XNDUDKMJGFWMTP-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001120358618 779519326 /nfs/dbraw/zinc/51/93/26/779519326.db2.gz XNDUDKMJGFWMTP-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001120358618 779519331 /nfs/dbraw/zinc/51/93/31/779519331.db2.gz XNDUDKMJGFWMTP-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC=C[C@H]1CO ZINC001120388335 779520247 /nfs/dbraw/zinc/52/02/47/779520247.db2.gz MFMJACGSNFJMAH-KBPBESRZSA-N 1 1 323.393 -1.197 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCCCON ZINC001120447777 779522618 /nfs/dbraw/zinc/52/26/18/779522618.db2.gz ULYIJSWVIJHYTA-UHFFFAOYSA-N 1 1 315.418 -1.521 20 0 DAADMO CNC(=O)CC(=O)NC1CC2(C1)CC([NH2+]Cc1nnn(C)n1)C2 ZINC001120992075 779527011 /nfs/dbraw/zinc/52/70/11/779527011.db2.gz OJOBPORSQKYCGQ-UHFFFAOYSA-N 1 1 321.385 -1.137 20 0 DAADMO CCc1nc(N[C@H](CO)CNC(=O)CNC(N)=O)cc(C)[nH+]1 ZINC001121018652 779528658 /nfs/dbraw/zinc/52/86/58/779528658.db2.gz QASHSWVYZQDNNT-VIFPVBQESA-N 1 1 310.358 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001121243601 779534861 /nfs/dbraw/zinc/53/48/61/779534861.db2.gz VRTCZJLZLJEFIR-VHSXEESVSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250616 779535369 /nfs/dbraw/zinc/53/53/69/779535369.db2.gz PWBWTZPVCNLAHL-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250616 779535377 /nfs/dbraw/zinc/53/53/77/779535377.db2.gz PWBWTZPVCNLAHL-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241424 779535576 /nfs/dbraw/zinc/53/55/76/779535576.db2.gz NNNSDVZLODDYHA-QWRGUYRKSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241424 779535585 /nfs/dbraw/zinc/53/55/85/779535585.db2.gz NNNSDVZLODDYHA-QWRGUYRKSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2nccnc2F)C1 ZINC001121248456 779535858 /nfs/dbraw/zinc/53/58/58/779535858.db2.gz BQQMAQZMJANDMP-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2nccnc2F)C1 ZINC001121248456 779535864 /nfs/dbraw/zinc/53/58/64/779535864.db2.gz BQQMAQZMJANDMP-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248944 779535935 /nfs/dbraw/zinc/53/59/35/779535935.db2.gz GKEKRKKAYDJBIN-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248944 779535945 /nfs/dbraw/zinc/53/59/45/779535945.db2.gz GKEKRKKAYDJBIN-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248947 779536066 /nfs/dbraw/zinc/53/60/66/779536066.db2.gz GKEKRKKAYDJBIN-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248947 779536073 /nfs/dbraw/zinc/53/60/73/779536073.db2.gz GKEKRKKAYDJBIN-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121591690 779547253 /nfs/dbraw/zinc/54/72/53/779547253.db2.gz UOMQYRSAGGCCLU-ZJUUUORDSA-N 1 1 320.357 -1.640 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001121669545 779548695 /nfs/dbraw/zinc/54/86/95/779548695.db2.gz POSBFRQFLQPWOM-SNVBAGLBSA-N 1 1 322.373 -1.252 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3ncn[nH]3)C2)C1 ZINC001121924183 779551663 /nfs/dbraw/zinc/55/16/63/779551663.db2.gz PWZLATXNUZHGMT-UHFFFAOYSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3nc[nH]n3)C2)C1 ZINC001121924183 779551671 /nfs/dbraw/zinc/55/16/71/779551671.db2.gz PWZLATXNUZHGMT-UHFFFAOYSA-N 1 1 321.341 -1.370 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001121933456 779553608 /nfs/dbraw/zinc/55/36/08/779553608.db2.gz RGSHMYADQFAVHR-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO CCc1nc(N[C@H](CO)CNC(=O)Cn2ncnn2)cc(C)[nH+]1 ZINC001122077145 779554950 /nfs/dbraw/zinc/55/49/50/779554950.db2.gz DKHHWMLLHQCFMT-JTQLQIEISA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1nc(N[C@H](CO)CNC(=O)Cn2ncnn2)c(C)c(C)[nH+]1 ZINC001122078031 779555957 /nfs/dbraw/zinc/55/59/57/779555957.db2.gz QBYSZUZQEKBAOX-NSHDSACASA-N 1 1 320.357 -1.022 20 0 DAADMO COCC(=O)NCC[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001122322959 779560568 /nfs/dbraw/zinc/56/05/68/779560568.db2.gz JSMIQAZFAKDVCH-UHFFFAOYSA-N 1 1 312.374 -1.048 20 0 DAADMO CCc1nc(N[C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001122438196 779565881 /nfs/dbraw/zinc/56/58/81/779565881.db2.gz PBLSVRQRCHLIEA-NXEZZACHSA-N 1 1 322.369 -1.082 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1cc[n+]([O-])cc1 ZINC001123041280 779577463 /nfs/dbraw/zinc/57/74/63/779577463.db2.gz TXXOETFYTJPEEG-UHFFFAOYSA-N 1 1 318.337 -1.039 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001123236070 779579923 /nfs/dbraw/zinc/57/99/23/779579923.db2.gz WTMBTTCCNCRDIL-LLVKDONJSA-N 1 1 311.317 -1.274 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)Cn2cnnn2)[nH]1 ZINC001123312540 779581086 /nfs/dbraw/zinc/58/10/86/779581086.db2.gz GFAQIQPXZJASNN-UHFFFAOYSA-N 1 1 307.362 -1.005 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123313864 779581565 /nfs/dbraw/zinc/58/15/65/779581565.db2.gz YKAMRJQNVLANMI-UHFFFAOYSA-N 1 1 307.318 -2.299 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123326580 779582786 /nfs/dbraw/zinc/58/27/86/779582786.db2.gz DASGAVNOLNXCAE-UHFFFAOYSA-N 1 1 308.350 -1.634 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNC(=O)c1cnccn1 ZINC001123825143 779586834 /nfs/dbraw/zinc/58/68/34/779586834.db2.gz KQAMJWZJRKTWPW-WCQYABFASA-N 1 1 318.381 -1.289 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1ncnn1CCF ZINC001124084201 779590994 /nfs/dbraw/zinc/59/09/94/779590994.db2.gz GEFAENBMANGFAX-UHFFFAOYSA-N 1 1 312.349 -1.020 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124660763 779599311 /nfs/dbraw/zinc/59/93/11/779599311.db2.gz APYCOXNVHVAMBK-ZJUUUORDSA-N 1 1 323.353 -1.177 20 0 DAADMO CNC(=O)Cc1noc(CNCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124867642 779604345 /nfs/dbraw/zinc/60/43/45/779604345.db2.gz WWNXFQHVABSISF-JTQLQIEISA-N 1 1 324.385 -1.342 20 0 DAADMO O=C(Cc1cc[nH]n1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125141357 779608280 /nfs/dbraw/zinc/60/82/80/779608280.db2.gz LWPQIUDTKABKOZ-UHFFFAOYSA-N 1 1 305.342 -1.020 20 0 DAADMO COC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159273 779611848 /nfs/dbraw/zinc/61/18/48/779611848.db2.gz GWYNICRPYWWCJO-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CCOCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159076 779611937 /nfs/dbraw/zinc/61/19/37/779611937.db2.gz CQMLLUBPCQRRIR-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149159947 779613448 /nfs/dbraw/zinc/61/34/48/779613448.db2.gz NUSXTUMTHUJFOS-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCS(N)(=O)=O ZINC001140237417 779615533 /nfs/dbraw/zinc/61/55/33/779615533.db2.gz URLPABLLBLXNIC-QWRGUYRKSA-N 1 1 320.415 -2.204 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCS(N)(=O)=O ZINC001140237418 779615942 /nfs/dbraw/zinc/61/59/42/779615942.db2.gz URLPABLLBLXNIC-WDEREUQCSA-N 1 1 320.415 -2.204 20 0 DAADMO O=C(Cn1cccn1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149160718 779616150 /nfs/dbraw/zinc/61/61/50/779616150.db2.gz YEYNBVTUSFXOHC-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1cccn1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149160718 779616156 /nfs/dbraw/zinc/61/61/56/779616156.db2.gz YEYNBVTUSFXOHC-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001149105117 779618499 /nfs/dbraw/zinc/61/84/99/779618499.db2.gz SQARRHISSRQRLX-JTQLQIEISA-N 1 1 309.374 -1.135 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001142078187 779619029 /nfs/dbraw/zinc/61/90/29/779619029.db2.gz TYFOJLBLEKMUTP-LBPRGKRZSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001142078187 779619035 /nfs/dbraw/zinc/61/90/35/779619035.db2.gz TYFOJLBLEKMUTP-LBPRGKRZSA-N 1 1 324.385 -1.006 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3sccc3C2)[C@@H]2NCN[C@@H]21 ZINC001142227616 779620215 /nfs/dbraw/zinc/62/02/15/779620215.db2.gz ZREXXIDAZCQTJO-MCIONIFRSA-N 1 1 322.438 -1.375 20 0 DAADMO COc1cc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccn1 ZINC001142237500 779620462 /nfs/dbraw/zinc/62/04/62/779620462.db2.gz XMYQXPUZQAERPP-IHRRRGAJSA-N 1 1 306.370 -1.458 20 0 DAADMO Cc1cn(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(=O)[nH]c1=O ZINC001142322165 779621423 /nfs/dbraw/zinc/62/14/23/779621423.db2.gz PLHYYSAJVBOWRV-KXUCPTDWSA-N 1 1 309.330 -3.224 20 0 DAADMO Cc1cn(CC(=O)N[C@@H](CO)Cc2cnc[nH]2)c(=O)[nH]c1=O ZINC001142320673 779621967 /nfs/dbraw/zinc/62/19/67/779621967.db2.gz CHHSHKPOGGAAMR-SNVBAGLBSA-N 1 1 307.310 -1.300 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H]2NCN[C@H]21 ZINC001142992497 779625191 /nfs/dbraw/zinc/62/51/91/779625191.db2.gz XYQGPVKSLZFASV-ZNMIVQPWSA-N 1 1 319.365 -1.133 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCc2ccc3c(c2)OCO3)[C@H]2NCN[C@H]21 ZINC001142992496 779625624 /nfs/dbraw/zinc/62/56/24/779625624.db2.gz XYQGPVKSLZFASV-RRFJBIMHSA-N 1 1 319.365 -1.133 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H]2NCN[C@@H]21 ZINC001142992494 779625975 /nfs/dbraw/zinc/62/59/75/779625975.db2.gz XYQGPVKSLZFASV-KFWWJZLASA-N 1 1 319.365 -1.133 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001143230776 779626639 /nfs/dbraw/zinc/62/66/39/779626639.db2.gz DVFOTLDJWNALRB-ZDUSSCGKSA-N 1 1 310.398 -1.307 20 0 DAADMO CN1CCN(C2CN(C(=O)CCN3CC[NH+](C)CC3)C2)CC1=O ZINC001143231146 779626891 /nfs/dbraw/zinc/62/68/91/779626891.db2.gz SEVNPKIRXDQPIU-UHFFFAOYSA-N 1 1 323.441 -1.391 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)CCN1CC[NH+](C)CC1 ZINC001143237334 779627404 /nfs/dbraw/zinc/62/74/04/779627404.db2.gz KLFPPTRFOJWLRF-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO COCCOCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149424201 779629821 /nfs/dbraw/zinc/62/98/21/779629821.db2.gz KYUQBIIQHYODDP-RYUDHWBXSA-N 1 1 317.386 -1.270 20 0 DAADMO COCCOCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149424201 779629823 /nfs/dbraw/zinc/62/98/23/779629823.db2.gz KYUQBIIQHYODDP-RYUDHWBXSA-N 1 1 317.386 -1.270 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC(=O)N1C)c1nnnn1C ZINC001149463419 779631176 /nfs/dbraw/zinc/63/11/76/779631176.db2.gz AQZLMUUTXGNDNX-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001149432001 779631724 /nfs/dbraw/zinc/63/17/24/779631724.db2.gz FUSOSOHKGYSZJQ-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)=O)CCO2)n1 ZINC001149531019 779633699 /nfs/dbraw/zinc/63/36/99/779633699.db2.gz PZOQDQVKWYRHII-CYBMUJFWSA-N 1 1 324.385 -1.249 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001149531285 779633739 /nfs/dbraw/zinc/63/37/39/779633739.db2.gz WYCOQZJBMSUNDY-NSHDSACASA-N 1 1 313.383 -1.009 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149490684 779633948 /nfs/dbraw/zinc/63/39/48/779633948.db2.gz UVHZCEJTNLYAAN-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149490684 779633952 /nfs/dbraw/zinc/63/39/52/779633952.db2.gz UVHZCEJTNLYAAN-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+][C@H](C)c2nncn2C)C1 ZINC001149530127 779634212 /nfs/dbraw/zinc/63/42/12/779634212.db2.gz GPOZSKKZQPBZMB-PWSUYJOCSA-N 1 1 324.385 -1.171 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149573651 779635127 /nfs/dbraw/zinc/63/51/27/779635127.db2.gz OHPNQEOSPBUPDG-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149573651 779635130 /nfs/dbraw/zinc/63/51/30/779635130.db2.gz OHPNQEOSPBUPDG-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149573649 779635464 /nfs/dbraw/zinc/63/54/64/779635464.db2.gz OHPNQEOSPBUPDG-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149573649 779635470 /nfs/dbraw/zinc/63/54/70/779635470.db2.gz OHPNQEOSPBUPDG-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001149547121 779635662 /nfs/dbraw/zinc/63/56/62/779635662.db2.gz ZARJARKOEKEVEF-LBPRGKRZSA-N 1 1 309.370 -1.127 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)nn1 ZINC001149576345 779635812 /nfs/dbraw/zinc/63/58/12/779635812.db2.gz CCCUHXHWXIOZJK-UHFFFAOYSA-N 1 1 322.373 -1.592 20 0 DAADMO Cc1cc(C)n2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2n1 ZINC001149591240 779636820 /nfs/dbraw/zinc/63/68/20/779636820.db2.gz NIYHNQFHPGUGBP-GVXVVHGQSA-N 1 1 316.369 -1.521 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149599544 779637097 /nfs/dbraw/zinc/63/70/97/779637097.db2.gz ISVHQOCQLXZDPU-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149599326 779637539 /nfs/dbraw/zinc/63/75/39/779637539.db2.gz FNWKZBJCFJDEHT-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149599326 779637542 /nfs/dbraw/zinc/63/75/42/779637542.db2.gz FNWKZBJCFJDEHT-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001149576574 779637692 /nfs/dbraw/zinc/63/76/92/779637692.db2.gz IRVFRJWAMSDLCZ-UHFFFAOYSA-N 1 1 308.346 -2.075 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)[nH]1 ZINC001149577210 779637908 /nfs/dbraw/zinc/63/79/08/779637908.db2.gz VDKFKEWVIWHDKL-MRVPVSSYSA-N 1 1 322.373 -1.216 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149614697 779638684 /nfs/dbraw/zinc/63/86/84/779638684.db2.gz FWBSGIPQDBNAKE-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149614697 779638689 /nfs/dbraw/zinc/63/86/89/779638689.db2.gz FWBSGIPQDBNAKE-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616040 779639092 /nfs/dbraw/zinc/63/90/92/779639092.db2.gz WSIIDBLQWJJFCJ-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616040 779639095 /nfs/dbraw/zinc/63/90/95/779639095.db2.gz WSIIDBLQWJJFCJ-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616041 779639266 /nfs/dbraw/zinc/63/92/66/779639266.db2.gz WSIIDBLQWJJFCJ-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616041 779639270 /nfs/dbraw/zinc/63/92/70/779639270.db2.gz WSIIDBLQWJJFCJ-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001149623143 779639282 /nfs/dbraw/zinc/63/92/82/779639282.db2.gz INWJSUQSSWXAAN-QWRGUYRKSA-N 1 1 302.375 -1.103 20 0 DAADMO Cc1cc2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c(C)n2n1 ZINC001149625555 779639585 /nfs/dbraw/zinc/63/95/85/779639585.db2.gz PUDMUALXDHRAHQ-SRVKXCTJSA-N 1 1 317.357 -2.126 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)NC(N)=O ZINC001149720964 779640669 /nfs/dbraw/zinc/64/06/69/779640669.db2.gz GTVNQHXGDUPGHT-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149738643 779640754 /nfs/dbraw/zinc/64/07/54/779640754.db2.gz GJGZNOCWDZINHH-GHMZBOCLSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149738643 779640761 /nfs/dbraw/zinc/64/07/61/779640761.db2.gz GJGZNOCWDZINHH-GHMZBOCLSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149721676 779641049 /nfs/dbraw/zinc/64/10/49/779641049.db2.gz PJHNWUUTRWQURS-CHWSQXEVSA-N 1 1 302.371 -1.009 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740620 779641229 /nfs/dbraw/zinc/64/12/29/779641229.db2.gz ZHOYVBKYKCKDJF-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149682360 779641669 /nfs/dbraw/zinc/64/16/69/779641669.db2.gz WSYXJIKCZCODPQ-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)S(C)(=O)=O ZINC001149816442 779642533 /nfs/dbraw/zinc/64/25/33/779642533.db2.gz ASBNRTZINDOTEV-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149796508 779642636 /nfs/dbraw/zinc/64/26/36/779642636.db2.gz MBMQXTRDIUPEJF-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149796508 779642641 /nfs/dbraw/zinc/64/26/41/779642641.db2.gz MBMQXTRDIUPEJF-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1cccs1 ZINC001149859157 779643988 /nfs/dbraw/zinc/64/39/88/779643988.db2.gz NJFWPWIUWODUFF-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149854809 779644005 /nfs/dbraw/zinc/64/40/05/779644005.db2.gz QMNFISARLGZIHV-ZJUUUORDSA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861386 779644266 /nfs/dbraw/zinc/64/42/66/779644266.db2.gz OVKWOYPSTIZBMG-UWVGGRQHSA-N 1 1 314.386 -1.421 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861386 779644273 /nfs/dbraw/zinc/64/42/73/779644273.db2.gz OVKWOYPSTIZBMG-UWVGGRQHSA-N 1 1 314.386 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861388 779644674 /nfs/dbraw/zinc/64/46/74/779644674.db2.gz OVKWOYPSTIZBMG-ZJUUUORDSA-N 1 1 314.386 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861388 779644677 /nfs/dbraw/zinc/64/46/77/779644677.db2.gz OVKWOYPSTIZBMG-ZJUUUORDSA-N 1 1 314.386 -1.421 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206632779 779645987 /nfs/dbraw/zinc/64/59/87/779645987.db2.gz SYJIOVGAEBYHMP-GMTAPVOTSA-N 1 1 324.381 -1.246 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206632779 779645994 /nfs/dbraw/zinc/64/59/94/779645994.db2.gz SYJIOVGAEBYHMP-GMTAPVOTSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001149937528 779646163 /nfs/dbraw/zinc/64/61/63/779646163.db2.gz UEYHKYKVZJMPJI-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149929813 779646448 /nfs/dbraw/zinc/64/64/48/779646448.db2.gz DMGYEYOGDMOQBH-SNVBAGLBSA-N 1 1 323.340 -1.043 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001206632794 779646477 /nfs/dbraw/zinc/64/64/77/779646477.db2.gz UFRWJNFYHDDZQI-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149929812 779646675 /nfs/dbraw/zinc/64/66/75/779646675.db2.gz DMGYEYOGDMOQBH-JTQLQIEISA-N 1 1 323.340 -1.043 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)n1)c1nncn1C ZINC001150130587 779647304 /nfs/dbraw/zinc/64/73/04/779647304.db2.gz UCKQEQZEGTYQDT-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)n1)c1nnnn1C ZINC001150130405 779648329 /nfs/dbraw/zinc/64/83/29/779648329.db2.gz QHKLAPKRCBJZGG-QMMMGPOBSA-N 1 1 306.330 -1.616 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202328 779649387 /nfs/dbraw/zinc/64/93/87/779649387.db2.gz GCXRFLRYTCTDKZ-NXEZZACHSA-N 1 1 312.370 -1.667 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202328 779649390 /nfs/dbraw/zinc/64/93/90/779649390.db2.gz GCXRFLRYTCTDKZ-NXEZZACHSA-N 1 1 312.370 -1.667 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150211479 779649557 /nfs/dbraw/zinc/64/95/57/779649557.db2.gz JICWWWDNPQBDFL-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150211479 779649559 /nfs/dbraw/zinc/64/95/59/779649559.db2.gz JICWWWDNPQBDFL-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220236 779650590 /nfs/dbraw/zinc/65/05/90/779650590.db2.gz UAHOLGABKPZDBV-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)n1 ZINC001150220445 779650650 /nfs/dbraw/zinc/65/06/50/779650650.db2.gz WOPAACRWXIMOCN-LBPRGKRZSA-N 1 1 324.385 -1.413 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)n1 ZINC001150220444 779650803 /nfs/dbraw/zinc/65/08/03/779650803.db2.gz WOPAACRWXIMOCN-GFCCVEGCSA-N 1 1 324.385 -1.413 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232452 779651026 /nfs/dbraw/zinc/65/10/26/779651026.db2.gz FACUMIIPYQCEON-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232452 779651031 /nfs/dbraw/zinc/65/10/31/779651031.db2.gz FACUMIIPYQCEON-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCN2CCNC2=O)CCCO1 ZINC001150217996 779651180 /nfs/dbraw/zinc/65/11/80/779651180.db2.gz DPHMBZUJNISQLT-JTQLQIEISA-N 1 1 313.358 -2.296 20 0 DAADMO Cn1nccc1CC[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219278 779651199 /nfs/dbraw/zinc/65/11/99/779651199.db2.gz NZNWQPAWVOCFKB-GFCCVEGCSA-N 1 1 309.370 -1.345 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218641 779651334 /nfs/dbraw/zinc/65/13/34/779651334.db2.gz IIAJIVLZJIDATI-VIFPVBQESA-N 1 1 322.387 -2.772 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218641 779651339 /nfs/dbraw/zinc/65/13/39/779651339.db2.gz IIAJIVLZJIDATI-VIFPVBQESA-N 1 1 322.387 -2.772 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150233463 779651991 /nfs/dbraw/zinc/65/19/91/779651991.db2.gz ORMKWHHVPQPPCD-GXSJLCMTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150233463 779651996 /nfs/dbraw/zinc/65/19/96/779651996.db2.gz ORMKWHHVPQPPCD-GXSJLCMTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150233464 779652692 /nfs/dbraw/zinc/65/26/92/779652692.db2.gz ORMKWHHVPQPPCD-KOLCDFICSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150233464 779652694 /nfs/dbraw/zinc/65/26/94/779652694.db2.gz ORMKWHHVPQPPCD-KOLCDFICSA-N 1 1 312.370 -1.654 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150339252 779653200 /nfs/dbraw/zinc/65/32/00/779653200.db2.gz LQSQGSRLEWZNIZ-UHFFFAOYSA-N 1 1 324.345 -2.159 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001150349950 779654748 /nfs/dbraw/zinc/65/47/48/779654748.db2.gz OFMXUEIWCFQLAU-UHFFFAOYSA-N 1 1 323.357 -1.314 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC001150349916 779654912 /nfs/dbraw/zinc/65/49/12/779654912.db2.gz MOHMVRRVBWSJRC-MRVPVSSYSA-N 1 1 323.357 -1.226 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150399507 779656395 /nfs/dbraw/zinc/65/63/95/779656395.db2.gz GIKUKUQELHEZOS-VIFPVBQESA-N 1 1 308.342 -1.386 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O)c1nncn1C ZINC001150398776 779656829 /nfs/dbraw/zinc/65/68/29/779656829.db2.gz AURPXIJARNXDBD-IUCAKERBSA-N 1 1 323.357 -1.430 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCNC(N)=O)c1nnnn1C1CC1 ZINC001150424637 779657469 /nfs/dbraw/zinc/65/74/69/779657469.db2.gz XEJIKNHPWWYNFU-MRVPVSSYSA-N 1 1 310.362 -1.167 20 0 DAADMO NC(=O)NCCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001150423912 779657774 /nfs/dbraw/zinc/65/77/74/779657774.db2.gz MCLIKRCQHWZSAA-UHFFFAOYSA-N 1 1 311.346 -1.928 20 0 DAADMO NC(=O)NCCC(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001150423954 779658156 /nfs/dbraw/zinc/65/81/56/779658156.db2.gz NCJMTRCRLYOSPY-UHFFFAOYSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450649 779658757 /nfs/dbraw/zinc/65/87/57/779658757.db2.gz PRLYBXZVKHYXPV-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450416 779659016 /nfs/dbraw/zinc/65/90/16/779659016.db2.gz KCBDEDSNMZYNKF-UHFFFAOYSA-N 1 1 318.341 -1.294 20 0 DAADMO NC(=O)c1nccnc1C(=O)NCC[NH2+]Cc1cnns1 ZINC001150443743 779659257 /nfs/dbraw/zinc/65/92/57/779659257.db2.gz AVGCAJBZLRNCPK-UHFFFAOYSA-N 1 1 307.339 -1.053 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)n1 ZINC001150450093 779659309 /nfs/dbraw/zinc/65/93/09/779659309.db2.gz CORYJCUHSIDBFU-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCCO1)c1cnon1 ZINC001150462533 779660149 /nfs/dbraw/zinc/66/01/49/779660149.db2.gz YCYKHWCOYIKEAE-NSHDSACASA-N 1 1 314.342 -1.101 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001150469955 779660182 /nfs/dbraw/zinc/66/01/82/779660182.db2.gz LPJTXHRCDBPVNS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469955 779660184 /nfs/dbraw/zinc/66/01/84/779660184.db2.gz LPJTXHRCDBPVNS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469955 779660185 /nfs/dbraw/zinc/66/01/85/779660185.db2.gz LPJTXHRCDBPVNS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469955 779660189 /nfs/dbraw/zinc/66/01/89/779660189.db2.gz LPJTXHRCDBPVNS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469955 779660194 /nfs/dbraw/zinc/66/01/94/779660194.db2.gz LPJTXHRCDBPVNS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001150469958 779660470 /nfs/dbraw/zinc/66/04/70/779660470.db2.gz LPJTXHRCDBPVNS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469958 779660476 /nfs/dbraw/zinc/66/04/76/779660476.db2.gz LPJTXHRCDBPVNS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469958 779660478 /nfs/dbraw/zinc/66/04/78/779660478.db2.gz LPJTXHRCDBPVNS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469958 779660483 /nfs/dbraw/zinc/66/04/83/779660483.db2.gz LPJTXHRCDBPVNS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469958 779660489 /nfs/dbraw/zinc/66/04/89/779660489.db2.gz LPJTXHRCDBPVNS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCCO1)c1nnc[nH]1 ZINC001150461428 779661028 /nfs/dbraw/zinc/66/10/28/779661028.db2.gz CTQNVJLUYKVDGL-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCOCCO)CCCO1)c1ncn[nH]1 ZINC001150461428 779661033 /nfs/dbraw/zinc/66/10/33/779661033.db2.gz CTQNVJLUYKVDGL-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCOCCO)CCCO1)c1ncn[nH]1 ZINC001150461428 779661040 /nfs/dbraw/zinc/66/10/40/779661040.db2.gz CTQNVJLUYKVDGL-NSHDSACASA-N 1 1 313.358 -1.366 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496538 779661564 /nfs/dbraw/zinc/66/15/64/779661564.db2.gz CCBHXXUBWKVNRO-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150510088 779661588 /nfs/dbraw/zinc/66/15/88/779661588.db2.gz YEVXJWNNECOLFN-UHFFFAOYSA-N 1 1 310.362 -1.793 20 0 DAADMO CC(=O)N1CCC(C(=O)NCC[NH2+]Cc2nnnn2C)CC1 ZINC001150526505 779662261 /nfs/dbraw/zinc/66/22/61/779662261.db2.gz PGDBZFIKHKLZHO-UHFFFAOYSA-N 1 1 309.374 -1.326 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579330 779663298 /nfs/dbraw/zinc/66/32/98/779663298.db2.gz MCKTZRSBNQNSMQ-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579330 779663303 /nfs/dbraw/zinc/66/33/03/779663303.db2.gz MCKTZRSBNQNSMQ-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ccccc32)[C@H]2NCN[C@@H]21 ZINC001150616553 779663444 /nfs/dbraw/zinc/66/34/44/779663444.db2.gz CBDNBBBJKSNVJV-IJLUTSLNSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579563 779664016 /nfs/dbraw/zinc/66/40/16/779664016.db2.gz NPDREYSCSBCFCG-GHMZBOCLSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579563 779664020 /nfs/dbraw/zinc/66/40/20/779664020.db2.gz NPDREYSCSBCFCG-GHMZBOCLSA-N 1 1 324.385 -1.182 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150698746 779664423 /nfs/dbraw/zinc/66/44/23/779664423.db2.gz AEKSRMPYXYLXRR-VXGBXAGGSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150698746 779664431 /nfs/dbraw/zinc/66/44/31/779664431.db2.gz AEKSRMPYXYLXRR-VXGBXAGGSA-N 1 1 322.369 -1.626 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150677421 779664815 /nfs/dbraw/zinc/66/48/15/779664815.db2.gz FMJIHJSFQGXFGH-MNOVXSKESA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150677421 779664821 /nfs/dbraw/zinc/66/48/21/779664821.db2.gz FMJIHJSFQGXFGH-MNOVXSKESA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150677425 779665097 /nfs/dbraw/zinc/66/50/97/779665097.db2.gz FMJIHJSFQGXFGH-WDEREUQCSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150677425 779665099 /nfs/dbraw/zinc/66/50/99/779665099.db2.gz FMJIHJSFQGXFGH-WDEREUQCSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691442 779665113 /nfs/dbraw/zinc/66/51/13/779665113.db2.gz CUDWHKNNHIYVBU-VHSXEESVSA-N 1 1 315.374 -1.874 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691442 779665116 /nfs/dbraw/zinc/66/51/16/779665116.db2.gz CUDWHKNNHIYVBU-VHSXEESVSA-N 1 1 315.374 -1.874 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150677420 779665123 /nfs/dbraw/zinc/66/51/23/779665123.db2.gz FMJIHJSFQGXFGH-GHMZBOCLSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150677420 779665127 /nfs/dbraw/zinc/66/51/27/779665127.db2.gz FMJIHJSFQGXFGH-GHMZBOCLSA-N 1 1 310.358 -1.641 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699735 779665376 /nfs/dbraw/zinc/66/53/76/779665376.db2.gz NKJSDHHPFYBMMQ-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699735 779665379 /nfs/dbraw/zinc/66/53/79/779665379.db2.gz NKJSDHHPFYBMMQ-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO O=C(Cn1ccnc1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150825582 779666475 /nfs/dbraw/zinc/66/64/75/779666475.db2.gz VJIRMGXGHIXPJE-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1ccnc1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150825582 779666479 /nfs/dbraw/zinc/66/64/79/779666479.db2.gz VJIRMGXGHIXPJE-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(CC(N)=O)CCCO1 ZINC001150726071 779666864 /nfs/dbraw/zinc/66/68/64/779666864.db2.gz ZGADBPRJVPVCEL-LBPRGKRZSA-N 1 1 309.370 -1.116 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc2n1 ZINC001150721977 779666951 /nfs/dbraw/zinc/66/69/51/779666951.db2.gz RXMYKPFCALYLHD-YWVKMMECSA-N 1 1 317.357 -2.126 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001150770961 779667246 /nfs/dbraw/zinc/66/72/46/779667246.db2.gz JKOCQQHXBFIGHQ-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150972337 779667811 /nfs/dbraw/zinc/66/78/11/779667811.db2.gz QLUKAXLLNZFMQD-UHFFFAOYSA-N 1 1 306.326 -1.261 20 0 DAADMO CCn1nc2c(c1C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)CCCC2 ZINC001150854848 779667946 /nfs/dbraw/zinc/66/79/46/779667946.db2.gz KBHFOHPKEMXLMZ-XBFCOCLRSA-N 1 1 319.413 -1.086 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CCCC1 ZINC001151100399 779671132 /nfs/dbraw/zinc/67/11/32/779671132.db2.gz BMBPSVJWKIXRKL-UHFFFAOYSA-N 1 1 300.403 -1.059 20 0 DAADMO COCCC1(NC(=O)c2cnnn2C)CC[NH+](CC(N)=O)CC1 ZINC001151096010 779671336 /nfs/dbraw/zinc/67/13/36/779671336.db2.gz SSEGBZNPWQJZRM-UHFFFAOYSA-N 1 1 324.385 -1.099 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001151049808 779671456 /nfs/dbraw/zinc/67/14/56/779671456.db2.gz ZKABORUWFRAGSY-LLVKDONJSA-N 1 1 311.386 -2.398 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001151049808 779671463 /nfs/dbraw/zinc/67/14/63/779671463.db2.gz ZKABORUWFRAGSY-LLVKDONJSA-N 1 1 311.386 -2.398 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CCCC1 ZINC001151101593 779671777 /nfs/dbraw/zinc/67/17/77/779671777.db2.gz ULOAVVBJRFMBRS-CYBMUJFWSA-N 1 1 303.403 -1.188 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]2NCN[C@@H]21 ZINC001151067733 779671812 /nfs/dbraw/zinc/67/18/12/779671812.db2.gz ZRRIPVOOQGNDBB-UTUOFQBUSA-N 1 1 304.354 -1.591 20 0 DAADMO COCCC1(NC(=O)Cn2nccn2)CC[NH+](CC(N)=O)CC1 ZINC001151150273 779672655 /nfs/dbraw/zinc/67/26/55/779672655.db2.gz PKGCFFDHWJTMTB-UHFFFAOYSA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001151159816 779673316 /nfs/dbraw/zinc/67/33/16/779673316.db2.gz ULXDWQXIBZPWHJ-ZDUSSCGKSA-N 1 1 310.402 -1.048 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CCOCCO ZINC001151157926 779673568 /nfs/dbraw/zinc/67/35/68/779673568.db2.gz NBICTCDWSXPRCD-CYBMUJFWSA-N 1 1 303.403 -1.331 20 0 DAADMO Cc1cnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cnn2c1 ZINC001151148714 779673612 /nfs/dbraw/zinc/67/36/12/779673612.db2.gz OZFUNFPXFMRPPF-SCVCMEIPSA-N 1 1 302.342 -1.830 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299542 779674545 /nfs/dbraw/zinc/67/45/45/779674545.db2.gz DISZUDWMNCKNDR-QMMMGPOBSA-N 1 1 302.360 -2.287 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299541 779674621 /nfs/dbraw/zinc/67/46/21/779674621.db2.gz DISZUDWMNCKNDR-MRVPVSSYSA-N 1 1 302.360 -2.287 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)nc1 ZINC001151299894 779674651 /nfs/dbraw/zinc/67/46/51/779674651.db2.gz IOVSJWQRNSFPSY-SNVBAGLBSA-N 1 1 313.383 -1.317 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300152 779675503 /nfs/dbraw/zinc/67/55/03/779675503.db2.gz KHVDSURGIASOOS-VIFPVBQESA-N 1 1 316.387 -1.805 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151300805 779675792 /nfs/dbraw/zinc/67/57/92/779675792.db2.gz PZKULRHDPQCDKF-JTQLQIEISA-N 1 1 316.387 -1.805 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001151372953 779676692 /nfs/dbraw/zinc/67/66/92/779676692.db2.gz HNIDICLLWWNVNI-UHFFFAOYSA-N 1 1 319.391 -1.991 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001151373609 779676776 /nfs/dbraw/zinc/67/67/76/779676776.db2.gz QXVYURINWZBJPL-UHFFFAOYSA-N 1 1 318.403 -1.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(ncnc3Cl)[nH]2)[C@@H]2NCN[C@H]21 ZINC001151568789 779679727 /nfs/dbraw/zinc/67/97/27/779679727.db2.gz OVAIMBDUSLTUMH-NMLBEHRDSA-N 1 1 322.760 -1.256 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001151621052 779680529 /nfs/dbraw/zinc/68/05/29/779680529.db2.gz IDBBNETYLMBRCQ-LBPRGKRZSA-N 1 1 309.370 -1.127 20 0 DAADMO COc1ccc2[nH]c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2n1 ZINC001151626004 779681202 /nfs/dbraw/zinc/68/12/02/779681202.db2.gz ZHMXVDFIHRYOQW-AVGNSLFASA-N 1 1 317.353 -1.296 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001151586316 779681399 /nfs/dbraw/zinc/68/13/99/779681399.db2.gz IYSOGZFZSVQJSP-ZDUSSCGKSA-N 1 1 309.370 -1.127 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151813853 779683929 /nfs/dbraw/zinc/68/39/29/779683929.db2.gz NWTFUUJJDAZSLO-MRVPVSSYSA-N 1 1 312.334 -2.305 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151813853 779683930 /nfs/dbraw/zinc/68/39/30/779683930.db2.gz NWTFUUJJDAZSLO-MRVPVSSYSA-N 1 1 312.334 -2.305 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151813591 779684046 /nfs/dbraw/zinc/68/40/46/779684046.db2.gz GEEAABJZZAYFPH-LLVKDONJSA-N 1 1 324.389 -1.475 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778416 779684401 /nfs/dbraw/zinc/68/44/01/779684401.db2.gz STJSISUINSWYCW-SSDOTTSWSA-N 1 1 302.335 -2.324 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778416 779684404 /nfs/dbraw/zinc/68/44/04/779684404.db2.gz STJSISUINSWYCW-SSDOTTSWSA-N 1 1 302.335 -2.324 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cccnc2C(N)=O)n1 ZINC001151958467 779685223 /nfs/dbraw/zinc/68/52/23/779685223.db2.gz ITXMYLNFZUABQV-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3n[nH]cc3c2F)[C@H]2NCN[C@H]21 ZINC001151846326 779685474 /nfs/dbraw/zinc/68/54/74/779685474.db2.gz KBLXXVZJUVQXJW-QJPTWQEYSA-N 1 1 305.317 -1.165 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccc3[nH]c2=O)[C@H]2NCN[C@@H]21 ZINC001151864386 779685531 /nfs/dbraw/zinc/68/55/31/779685531.db2.gz ZHVGBAZHJLTYFZ-YUSALJHKSA-N 1 1 315.337 -1.944 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001152091746 779687308 /nfs/dbraw/zinc/68/73/08/779687308.db2.gz UGFUFRQVMHOIPA-SNVBAGLBSA-N 1 1 319.373 -1.422 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCc3nncn3C2)nn1 ZINC001152157333 779688193 /nfs/dbraw/zinc/68/81/93/779688193.db2.gz UUMSTQJZSRMYCX-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152156255 779688421 /nfs/dbraw/zinc/68/84/21/779688421.db2.gz NNJMZTHRASZDBV-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1cnns1 ZINC001152254301 779689324 /nfs/dbraw/zinc/68/93/24/779689324.db2.gz DQZPVCBMZRRMII-UHFFFAOYSA-N 1 1 324.370 -1.848 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001152282875 779690481 /nfs/dbraw/zinc/69/04/81/779690481.db2.gz QJELNPZIFHANJZ-UHFFFAOYSA-N 1 1 324.389 -1.079 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CS(=O)(=O)CC)nn1 ZINC001152376738 779690738 /nfs/dbraw/zinc/69/07/38/779690738.db2.gz LSJPZMANHZBTKE-UHFFFAOYSA-N 1 1 303.388 -1.062 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1nncn1C ZINC001152414681 779691490 /nfs/dbraw/zinc/69/14/90/779691490.db2.gz IHFIBXKCIMNPTQ-QMMMGPOBSA-N 1 1 321.345 -2.028 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152414582 779691519 /nfs/dbraw/zinc/69/15/19/779691519.db2.gz CCQQNICRIINLQC-UHFFFAOYSA-N 1 1 320.357 -1.501 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cscn2)nn1 ZINC001152421112 779693171 /nfs/dbraw/zinc/69/31/71/779693171.db2.gz RLKHKGNWHCHXGW-UHFFFAOYSA-N 1 1 309.355 -1.261 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)co1 ZINC001152415237 779693239 /nfs/dbraw/zinc/69/32/39/779693239.db2.gz ZYCZPEWYYDIUIA-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC(=O)N(C)C1)c1nnnn1C ZINC001152511240 779694013 /nfs/dbraw/zinc/69/40/13/779694013.db2.gz YHBUUNKFBHEAQY-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO CCOCCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500329 779694034 /nfs/dbraw/zinc/69/40/34/779694034.db2.gz QQCIKMGSMRUIRE-LLVKDONJSA-N 1 1 316.402 -1.159 20 0 DAADMO CCOCCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500329 779694040 /nfs/dbraw/zinc/69/40/40/779694040.db2.gz QQCIKMGSMRUIRE-LLVKDONJSA-N 1 1 316.402 -1.159 20 0 DAADMO CC[N@@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152506883 779694423 /nfs/dbraw/zinc/69/44/23/779694423.db2.gz MQBYEJAFWQFBQD-SNVBAGLBSA-N 1 1 312.370 -1.163 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001152522105 779694573 /nfs/dbraw/zinc/69/45/73/779694573.db2.gz YDLSIPHLLBIKQO-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001152522105 779694575 /nfs/dbraw/zinc/69/45/75/779694575.db2.gz YDLSIPHLLBIKQO-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cn1nnc2c(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ncn2c1=O ZINC001152751503 779696767 /nfs/dbraw/zinc/69/67/67/779696767.db2.gz RIBMUMRMBPLHSO-DTORHVGOSA-N 1 1 303.326 -1.543 20 0 DAADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ncn2c1nnn(C)c2=O ZINC001152744896 779696854 /nfs/dbraw/zinc/69/68/54/779696854.db2.gz KDPYDTPKJGLPNO-DTWKUNHWSA-N 1 1 305.342 -1.012 20 0 DAADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ncn2c1nnn(C)c2=O ZINC001152744896 779696859 /nfs/dbraw/zinc/69/68/59/779696859.db2.gz KDPYDTPKJGLPNO-DTWKUNHWSA-N 1 1 305.342 -1.012 20 0 DAADMO Cn1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ncn2c1=O ZINC001152762208 779698550 /nfs/dbraw/zinc/69/85/50/779698550.db2.gz PCAUWMVQNKFACR-MHSYXAOVSA-N 1 1 320.317 -4.044 20 0 DAADMO Cn1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ncn2c1=O ZINC001152762207 779698703 /nfs/dbraw/zinc/69/87/03/779698703.db2.gz PCAUWMVQNKFACR-GEVIPFJHSA-N 1 1 320.317 -4.044 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)CNC3=O)[C@H]2NCN[C@H]21 ZINC001152779858 779698746 /nfs/dbraw/zinc/69/87/46/779698746.db2.gz DDBBVPYDURHUMR-QJPTWQEYSA-N 1 1 302.338 -1.937 20 0 DAADMO Cn1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ncn2c1=O ZINC001152762205 779698776 /nfs/dbraw/zinc/69/87/76/779698776.db2.gz PCAUWMVQNKFACR-APQOSEDMSA-N 1 1 320.317 -4.044 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC(N)=O ZINC001152883105 779699848 /nfs/dbraw/zinc/69/98/48/779699848.db2.gz PNQRJCMUALSHJU-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC(N)=O ZINC001152883105 779699849 /nfs/dbraw/zinc/69/98/49/779699849.db2.gz PNQRJCMUALSHJU-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2c[nH]c3c2ncnc3Cl)[C@@H]2NCN[C@H]21 ZINC001152952736 779699921 /nfs/dbraw/zinc/69/99/21/779699921.db2.gz HURBZHUNTSNNIT-GDPRMGEGSA-N 1 1 322.760 -1.256 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940449 779699938 /nfs/dbraw/zinc/69/99/38/779699938.db2.gz XUKXKLNNEKXACD-VWYCJHECSA-N 1 1 304.391 -1.123 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ccnn1C ZINC001153041463 779700143 /nfs/dbraw/zinc/70/01/43/779700143.db2.gz POOAVJVZTZAWSG-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ccnn1C ZINC001153041463 779700150 /nfs/dbraw/zinc/70/01/50/779700150.db2.gz POOAVJVZTZAWSG-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153367713 779703290 /nfs/dbraw/zinc/70/32/90/779703290.db2.gz DJHUSMZMBMRVQP-LLVKDONJSA-N 1 1 300.363 -1.491 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001153318803 779703369 /nfs/dbraw/zinc/70/33/69/779703369.db2.gz BPMPAJXLEBHZCA-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001153318803 779703371 /nfs/dbraw/zinc/70/33/71/779703371.db2.gz BPMPAJXLEBHZCA-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO NC(=O)CCCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001153455958 779704430 /nfs/dbraw/zinc/70/44/30/779704430.db2.gz RZGXNFVWGZNJGX-UHFFFAOYSA-N 1 1 310.358 -1.330 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445701 779704796 /nfs/dbraw/zinc/70/47/96/779704796.db2.gz GHYOQBBWJDLMCN-NXEZZACHSA-N 1 1 312.374 -1.416 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520363 779705089 /nfs/dbraw/zinc/70/50/89/779705089.db2.gz KAYUXVUGPOBOHO-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445380 779705367 /nfs/dbraw/zinc/70/53/67/779705367.db2.gz FKLHFEPTEOONOR-MRVPVSSYSA-N 1 1 311.346 -2.311 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445380 779705372 /nfs/dbraw/zinc/70/53/72/779705372.db2.gz FKLHFEPTEOONOR-MRVPVSSYSA-N 1 1 311.346 -2.311 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)nc1)c1nnnn1C ZINC001153514335 779705380 /nfs/dbraw/zinc/70/53/80/779705380.db2.gz JJTUZBFMFLXUOF-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555661 779705914 /nfs/dbraw/zinc/70/59/14/779705914.db2.gz UBYVSZRHCXMXBA-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555661 779705920 /nfs/dbraw/zinc/70/59/20/779705920.db2.gz UBYVSZRHCXMXBA-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c2c1CCCC2 ZINC001153555189 779706399 /nfs/dbraw/zinc/70/63/99/779706399.db2.gz MPIWNMXWCOQWMP-RWMBFGLXSA-N 1 1 305.386 -1.568 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c2c1CCCC2 ZINC001153555183 779706404 /nfs/dbraw/zinc/70/64/04/779706404.db2.gz MPIWNMXWCOQWMP-AGIUHOORSA-N 1 1 305.386 -1.568 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2ccc(C(N)=O)nc2)nn1 ZINC001153527119 779706834 /nfs/dbraw/zinc/70/68/34/779706834.db2.gz ALDMCSWABQXZHB-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C)NC(=O)COC ZINC001153533008 779707023 /nfs/dbraw/zinc/70/70/23/779707023.db2.gz OOSHOPJXKNTKJP-MNOVXSKESA-N 1 1 316.402 -1.290 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C)NC(=O)COC ZINC001153533008 779707026 /nfs/dbraw/zinc/70/70/26/779707026.db2.gz OOSHOPJXKNTKJP-MNOVXSKESA-N 1 1 316.402 -1.290 20 0 DAADMO Cc1cn2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2n1 ZINC001153603075 779707892 /nfs/dbraw/zinc/70/78/92/779707892.db2.gz WMUGTZJRQPPUMP-GVXVVHGQSA-N 1 1 301.354 -1.225 20 0 DAADMO C[C@H](NC(=O)C1CCC1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001153692328 779708264 /nfs/dbraw/zinc/70/82/64/779708264.db2.gz IHEPEZVMTSOFMT-VIFPVBQESA-N 1 1 309.374 -1.279 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCNC(=O)COC ZINC001153699553 779709280 /nfs/dbraw/zinc/70/92/80/779709280.db2.gz HCQFGMBKJQXUDM-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCNC(=O)COC ZINC001153699553 779709288 /nfs/dbraw/zinc/70/92/88/779709288.db2.gz HCQFGMBKJQXUDM-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO Nc1ccc2c(cccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001153812926 779710889 /nfs/dbraw/zinc/71/08/89/779710889.db2.gz NIYQHDYARRQCSX-MELADBBJSA-N 1 1 313.365 -1.050 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001153864554 779712135 /nfs/dbraw/zinc/71/21/35/779712135.db2.gz XMYQKEUOHQCJEQ-UTLUCORTSA-N 1 1 300.359 -1.208 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001153874511 779712247 /nfs/dbraw/zinc/71/22/47/779712247.db2.gz CZRXLODIXKOUKS-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001153874511 779712253 /nfs/dbraw/zinc/71/22/53/779712253.db2.gz CZRXLODIXKOUKS-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001153864548 779712488 /nfs/dbraw/zinc/71/24/88/779712488.db2.gz XMYQKEUOHQCJEQ-BBBLOLIVSA-N 1 1 300.359 -1.208 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)c1nncn1C ZINC001153883029 779712925 /nfs/dbraw/zinc/71/29/25/779712925.db2.gz UHPLWVGDNNNGJJ-IUCAKERBSA-N 1 1 308.342 -1.365 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001153882782 779713037 /nfs/dbraw/zinc/71/30/37/779713037.db2.gz OIIURUHVMFVYQU-JTQLQIEISA-N 1 1 322.369 -1.135 20 0 DAADMO Cc1nc2ccc(F)cn2c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001154019511 779715634 /nfs/dbraw/zinc/71/56/34/779715634.db2.gz NVYLAAWBBBQGNC-WCFLWFBJSA-N 1 1 319.344 -1.085 20 0 DAADMO CN1CCc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001154157713 779716588 /nfs/dbraw/zinc/71/65/88/779716588.db2.gz IWXGETYQFUMTPL-MELADBBJSA-N 1 1 302.382 -1.188 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001154155249 779716808 /nfs/dbraw/zinc/71/68/08/779716808.db2.gz MCMHFLNNKFSFSE-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001154155249 779716812 /nfs/dbraw/zinc/71/68/12/779716812.db2.gz MCMHFLNNKFSFSE-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001154074635 779717018 /nfs/dbraw/zinc/71/70/18/779717018.db2.gz QGZXHXDJMNTTGZ-NXEZZACHSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001154074635 779717020 /nfs/dbraw/zinc/71/70/20/779717020.db2.gz QGZXHXDJMNTTGZ-NXEZZACHSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154092906 779717356 /nfs/dbraw/zinc/71/73/56/779717356.db2.gz QEVYINPNXLMJLX-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CC1(C)COc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cnn2C1 ZINC001154367889 779718450 /nfs/dbraw/zinc/71/84/50/779718450.db2.gz ITPZLZAPEQGTJT-DCAQKATOSA-N 1 1 321.385 -1.566 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc2nccn21 ZINC001154437547 779720086 /nfs/dbraw/zinc/72/00/86/779720086.db2.gz CNPSDPHYEBNFDT-VWYCJHECSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc2nccn21 ZINC001154437545 779720323 /nfs/dbraw/zinc/72/03/23/779720323.db2.gz CNPSDPHYEBNFDT-GARJFASQSA-N 1 1 302.342 -1.830 20 0 DAADMO COCCc1noc(C[NH2+]CCCNC(=O)CNC(N)=O)n1 ZINC001154457740 779721529 /nfs/dbraw/zinc/72/15/29/779721529.db2.gz NUPKMMHGPYUKER-UHFFFAOYSA-N 1 1 314.346 -1.477 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154609771 779723359 /nfs/dbraw/zinc/72/33/59/779723359.db2.gz YSVLFVMVBVYEQP-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154601654 779723685 /nfs/dbraw/zinc/72/36/85/779723685.db2.gz CYOPVULBFIYBJJ-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154588922 779724112 /nfs/dbraw/zinc/72/41/12/779724112.db2.gz SHKQGBXSIJPALA-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154588922 779724121 /nfs/dbraw/zinc/72/41/21/779724121.db2.gz SHKQGBXSIJPALA-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001154561744 779724291 /nfs/dbraw/zinc/72/42/91/779724291.db2.gz PCDOJHQQKQSWFH-SSDOTTSWSA-N 1 1 311.346 -1.252 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1[nH]nnc1C ZINC001154561744 779724298 /nfs/dbraw/zinc/72/42/98/779724298.db2.gz PCDOJHQQKQSWFH-SSDOTTSWSA-N 1 1 311.346 -1.252 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ncccc23)[C@H]2NCN[C@@H]21 ZINC001154625201 779724360 /nfs/dbraw/zinc/72/43/60/779724360.db2.gz RUKUDXGVILMXDK-GMTAPVOTSA-N 1 1 316.325 -2.137 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn3cccc(F)c3n2)[C@@H]2NCN[C@H]21 ZINC001154548304 779724536 /nfs/dbraw/zinc/72/45/36/779724536.db2.gz RUDUYKNHSOMLFA-UMNHJUIQSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154588546 779724707 /nfs/dbraw/zinc/72/47/07/779724707.db2.gz KDZZUVKQXRVZOY-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CN1CCOc2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ccc21 ZINC001154732374 779725608 /nfs/dbraw/zinc/72/56/08/779725608.db2.gz NIHXIIUOAMAYLJ-MELADBBJSA-N 1 1 318.381 -1.352 20 0 DAADMO CN1CCOc2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ccc21 ZINC001154732373 779726438 /nfs/dbraw/zinc/72/64/38/779726438.db2.gz NIHXIIUOAMAYLJ-IHRRRGAJSA-N 1 1 318.381 -1.352 20 0 DAADMO CC[N@@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C(N)=O ZINC001154968992 779728018 /nfs/dbraw/zinc/72/80/18/779728018.db2.gz PBOIFFOBMULGBA-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCc2c[nH+]c3n2CCC3)C1=O ZINC001154937218 779728043 /nfs/dbraw/zinc/72/80/43/779728043.db2.gz JHWSYGFMAGKUIV-UHFFFAOYSA-N 1 1 305.294 -1.134 20 0 DAADMO CC[N@H+](CC(=O)NC[C@@H]1CCOC1)[C@H](C)CNC(=O)C(N)=O ZINC001154968857 779728288 /nfs/dbraw/zinc/72/82/88/779728288.db2.gz LTOUZQQTJITEBN-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@@H+](CC(=O)NC[C@@H]1CCOC1)[C@H](C)CNC(=O)C(N)=O ZINC001154968857 779728294 /nfs/dbraw/zinc/72/82/94/779728294.db2.gz LTOUZQQTJITEBN-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001154957316 779728431 /nfs/dbraw/zinc/72/84/31/779728431.db2.gz CJBQIRBYBBFPPY-SECBINFHSA-N 1 1 308.404 -1.633 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001154957316 779728440 /nfs/dbraw/zinc/72/84/40/779728440.db2.gz CJBQIRBYBBFPPY-SECBINFHSA-N 1 1 308.404 -1.633 20 0 DAADMO CC[N@H+](CC(=O)N1CCO[C@H](C)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154969264 779728834 /nfs/dbraw/zinc/72/88/34/779728834.db2.gz QHPNRDMAYWIMLH-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154969264 779728839 /nfs/dbraw/zinc/72/88/39/779728839.db2.gz QHPNRDMAYWIMLH-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154922219 779728981 /nfs/dbraw/zinc/72/89/81/779728981.db2.gz VTMKNQLVMGCLSW-OUAUKWLOSA-N 1 1 302.375 -1.498 20 0 DAADMO CC[N@@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154952980 779729094 /nfs/dbraw/zinc/72/90/94/779729094.db2.gz SUBNSTBJABNTQW-MNOVXSKESA-N 1 1 305.375 -1.678 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155217289 779730335 /nfs/dbraw/zinc/73/03/35/779730335.db2.gz OPAUTAXCVIZYOQ-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155217289 779730339 /nfs/dbraw/zinc/73/03/39/779730339.db2.gz OPAUTAXCVIZYOQ-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273361 779731292 /nfs/dbraw/zinc/73/12/92/779731292.db2.gz PMDIXKZVZRJHFP-KKOKHZNYSA-N 1 1 301.387 -1.058 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155510366 779732608 /nfs/dbraw/zinc/73/26/08/779732608.db2.gz XNMSGXZANVGPOS-BBBLOLIVSA-N 1 1 300.359 -1.208 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(n2)NC(=O)CO3)[C@@H]2NCN[C@H]21 ZINC001155738077 779733954 /nfs/dbraw/zinc/73/39/54/779733954.db2.gz UZILLBNVQVGUQQ-UMNHJUIQSA-N 1 1 319.325 -2.455 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001155694565 779734128 /nfs/dbraw/zinc/73/41/28/779734128.db2.gz ONGWUILTBOGJLP-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001155694565 779734134 /nfs/dbraw/zinc/73/41/34/779734134.db2.gz ONGWUILTBOGJLP-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO Cn1c(=O)[nH]c2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c21 ZINC001155647531 779734377 /nfs/dbraw/zinc/73/43/77/779734377.db2.gz PAMJGXPDCDEDIT-DLOVCJGASA-N 1 1 317.353 -1.588 20 0 DAADMO Cc1cccn2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c12 ZINC001155634781 779734872 /nfs/dbraw/zinc/73/48/72/779734872.db2.gz APMZMZGXDZNTIV-WXHSDQCUSA-N 1 1 301.354 -1.225 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155889876 779735645 /nfs/dbraw/zinc/73/56/45/779735645.db2.gz RZXZEITVUDFPEI-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001155857430 779736295 /nfs/dbraw/zinc/73/62/95/779736295.db2.gz TUOZISWNRQLJQA-PWSUYJOCSA-N 1 1 316.402 -1.425 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1cnccc1=O ZINC001156077480 779738651 /nfs/dbraw/zinc/73/86/51/779738651.db2.gz OZSCLDSYSXXGMX-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1cnccc1=O ZINC001156077480 779738653 /nfs/dbraw/zinc/73/86/53/779738653.db2.gz OZSCLDSYSXXGMX-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n[nH]nc3cc2F)[C@H]2NCN[C@@H]21 ZINC001156085754 779738823 /nfs/dbraw/zinc/73/88/23/779738823.db2.gz LBUPNLSHYQEJOE-GMTAPVOTSA-N 1 1 306.305 -1.770 20 0 DAADMO Cc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nnc12 ZINC001156357071 779739674 /nfs/dbraw/zinc/73/96/74/779739674.db2.gz GFYXKSNCAQSDAI-WCABBAIRSA-N 1 1 302.342 -1.830 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001156233966 779740012 /nfs/dbraw/zinc/74/00/12/779740012.db2.gz RHIHPAKDXIPKGD-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO Cc1nccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nnc12 ZINC001156420275 779740432 /nfs/dbraw/zinc/74/04/32/779740432.db2.gz FAXLFWADQOYJQQ-WEDXCCLWSA-N 1 1 303.330 -2.435 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001156335994 779740594 /nfs/dbraw/zinc/74/05/94/779740594.db2.gz DAJFUOLGURJTOX-VIFPVBQESA-N 1 1 308.342 -1.362 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3c(F)cccn23)[C@H]2NCN[C@H]21 ZINC001156344326 779740738 /nfs/dbraw/zinc/74/07/38/779740738.db2.gz ZQLJQDYGDBRHRK-QXFUBDJGSA-N 1 1 306.305 -1.999 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)CCc1nc[nH]n1)C(=O)NC(N)=O ZINC001156350142 779740856 /nfs/dbraw/zinc/74/08/56/779740856.db2.gz XKJWHLFPJNFLKJ-MRVPVSSYSA-N 1 1 311.346 -1.583 20 0 DAADMO Cc1nccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nnc12 ZINC001156420273 779740961 /nfs/dbraw/zinc/74/09/61/779740961.db2.gz FAXLFWADQOYJQQ-OYNCUSHFSA-N 1 1 303.330 -2.435 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2OCCCO3)[C@H]2NCN[C@H]21 ZINC001156719747 779742897 /nfs/dbraw/zinc/74/28/97/779742897.db2.gz LHOJTMGDNZJIMC-IACUBPJLSA-N 1 1 319.365 -1.019 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001156683009 779743125 /nfs/dbraw/zinc/74/31/25/779743125.db2.gz UEPUJHASSSAJLO-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001156683009 779743130 /nfs/dbraw/zinc/74/31/30/779743130.db2.gz UEPUJHASSSAJLO-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO COc1ccc2onc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2c1 ZINC001156735477 779743438 /nfs/dbraw/zinc/74/34/38/779743438.db2.gz IONKWURDTZLFMO-FRRDWIJNSA-N 1 1 318.337 -1.031 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001156791667 779743476 /nfs/dbraw/zinc/74/34/76/779743476.db2.gz FPTIZIUBJYIAJU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001156791667 779743478 /nfs/dbraw/zinc/74/34/78/779743478.db2.gz FPTIZIUBJYIAJU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2OCCCO3)[C@H]2NCN[C@@H]21 ZINC001156719750 779743583 /nfs/dbraw/zinc/74/35/83/779743583.db2.gz LHOJTMGDNZJIMC-MRVWCRGKSA-N 1 1 319.365 -1.019 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cc(F)ccc23)[C@@H]2NCN[C@H]21 ZINC001156941258 779745689 /nfs/dbraw/zinc/74/56/89/779745689.db2.gz SJEZFKHHSBKSSQ-TUAOUCFPSA-N 1 1 305.317 -1.394 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cccc(F)c23)[C@@H]2NCN[C@H]21 ZINC001156922520 779745850 /nfs/dbraw/zinc/74/58/50/779745850.db2.gz TYLWGPBFWMVWCR-WCQGTBRESA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001156949238 779746844 /nfs/dbraw/zinc/74/68/44/779746844.db2.gz KARYJWJYUHVZLO-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCS(=O)(=O)N(C)C ZINC001157063778 779747705 /nfs/dbraw/zinc/74/77/05/779747705.db2.gz VWJNGVKMQRJHTF-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCS(=O)(=O)N(C)C ZINC001157063778 779747713 /nfs/dbraw/zinc/74/77/13/779747713.db2.gz VWJNGVKMQRJHTF-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109723 779747925 /nfs/dbraw/zinc/74/79/25/779747925.db2.gz SKYMBSXPQRNLMM-ZJUUUORDSA-N 1 1 312.374 -1.416 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157081922 779748317 /nfs/dbraw/zinc/74/83/17/779748317.db2.gz FSQUIQUIIJHYBO-WBIUFABUSA-N 1 1 321.381 -1.048 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001157158921 779749368 /nfs/dbraw/zinc/74/93/68/779749368.db2.gz PLQVMULUNANYQM-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001157158921 779749371 /nfs/dbraw/zinc/74/93/71/779749371.db2.gz PLQVMULUNANYQM-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)C(=O)OC3)[C@@H]2NCN[C@H]21 ZINC001157192099 779749814 /nfs/dbraw/zinc/74/98/14/779749814.db2.gz MHDYDXDKMDZTMT-TUAOUCFPSA-N 1 1 303.322 -1.510 20 0 DAADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1COC[NH2+]1 ZINC001157303507 779750385 /nfs/dbraw/zinc/75/03/85/779750385.db2.gz IANXWPSVHAUBMQ-RYUDHWBXSA-N 1 1 320.349 -1.739 20 0 DAADMO OC[C@H]1C[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)[C@H](O)[C@@H]1O ZINC001157278912 779750663 /nfs/dbraw/zinc/75/06/63/779750663.db2.gz OKYFDSIDHCNWTQ-WFFHOREQSA-N 1 1 310.354 -1.172 20 0 DAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1cncn1C ZINC001157322928 779752480 /nfs/dbraw/zinc/75/24/80/779752480.db2.gz DVGUZGGTTOZQBM-RYUDHWBXSA-N 1 1 310.402 -1.350 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001157364653 779753249 /nfs/dbraw/zinc/75/32/49/779753249.db2.gz YQHLDCAFDCLKLM-NXEZZACHSA-N 1 1 312.370 -1.388 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001157364653 779753257 /nfs/dbraw/zinc/75/32/57/779753257.db2.gz YQHLDCAFDCLKLM-NXEZZACHSA-N 1 1 312.370 -1.388 20 0 DAADMO NCC(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369844 779753591 /nfs/dbraw/zinc/75/35/91/779753591.db2.gz XRADMTTYNOVAMF-NSHDSACASA-N 1 1 313.402 -1.703 20 0 DAADMO COC(=O)N1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157508392 779756527 /nfs/dbraw/zinc/75/65/27/779756527.db2.gz UBQDIQMNEGTOMN-GFCCVEGCSA-N 1 1 313.402 -1.353 20 0 DAADMO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157716510 779757524 /nfs/dbraw/zinc/75/75/24/779757524.db2.gz OVTARFYYPSLEIW-FZMZJTMJSA-N 1 1 316.377 -1.150 20 0 DAADMO COC(=O)c1cc(S(N)(=O)=O)cnc1-n1cnc(C[NH3+])n1 ZINC001157931370 779761262 /nfs/dbraw/zinc/76/12/62/779761262.db2.gz IXCXFJLPAJNUJM-UHFFFAOYSA-N 1 1 312.311 -1.445 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001157973801 779763116 /nfs/dbraw/zinc/76/31/16/779763116.db2.gz QBDVHXWDTUKZGC-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001157999457 779764648 /nfs/dbraw/zinc/76/46/48/779764648.db2.gz RIPUTHVKLNDERV-NWDGAFQWSA-N 1 1 307.354 -1.109 20 0 DAADMO [NH3+]Cc1nnnn1-c1nc(Cl)nc2c1S(=O)(=O)CC2 ZINC001158079930 779765493 /nfs/dbraw/zinc/76/54/93/779765493.db2.gz DFPUFBQXDAWUBS-UHFFFAOYSA-N 1 1 301.719 -1.106 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076310 779765597 /nfs/dbraw/zinc/76/55/97/779765597.db2.gz CXMJQSBUKOOSRR-LBPRGKRZSA-N 1 1 310.398 -1.083 20 0 DAADMO N[C@@H](Cc1cscn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158094022 779765979 /nfs/dbraw/zinc/76/59/79/779765979.db2.gz ZJZVOTLMGVPRNJ-GWCFXTLKSA-N 1 1 309.395 -1.297 20 0 DAADMO NC(=O)NCCC[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091459 779766007 /nfs/dbraw/zinc/76/60/07/779766007.db2.gz CMKYJSPXHGZHCZ-ZANVPECISA-N 1 1 312.374 -2.547 20 0 DAADMO N[C@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092172 779766194 /nfs/dbraw/zinc/76/61/94/779766194.db2.gz LRHAJWGTCKMXNI-CJNGLKHVSA-N 1 1 318.377 -1.048 20 0 DAADMO C[S@](=O)CC[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158103055 779766878 /nfs/dbraw/zinc/76/68/78/779766878.db2.gz ZZIHTWXHEXGOAM-HYQGUANPSA-N 1 1 302.400 -2.227 20 0 DAADMO O=C(C[C@@H]1CNCC1(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101021 779766964 /nfs/dbraw/zinc/76/69/64/779766964.db2.gz FUAVJRVWURXWRP-SKDRFNHKSA-N 1 1 302.325 -1.078 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101523 779767298 /nfs/dbraw/zinc/76/72/98/779767298.db2.gz JLIPEMZLCOAPLW-MWODSPESSA-N 1 1 313.358 -3.499 20 0 DAADMO O=C(c1noc2c1CNCC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158110642 779767457 /nfs/dbraw/zinc/76/74/57/779767457.db2.gz HMACHDMJLHJQGI-CQSZACIVSA-N 1 1 305.338 -1.376 20 0 DAADMO O=C(C[C@@H]1CNCC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101018 779767525 /nfs/dbraw/zinc/76/75/25/779767525.db2.gz FUAVJRVWURXWRP-BXKDBHETSA-N 1 1 302.325 -1.078 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111227 779768276 /nfs/dbraw/zinc/76/82/76/779768276.db2.gz LRPHOEOGNVYJRH-NHYWBVRUSA-N 1 1 318.381 -1.852 20 0 DAADMO O=C([C@H]1CNCCC1=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121693 779769252 /nfs/dbraw/zinc/76/92/52/779769252.db2.gz WBYSWLHSSYSSNM-ZUZCIYMTSA-N 1 1 306.366 -1.897 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180488 779770991 /nfs/dbraw/zinc/77/09/91/779770991.db2.gz XQNNPTTUOIBIQS-ZRUFSTJUSA-N 1 1 300.359 -2.743 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180534 779771282 /nfs/dbraw/zinc/77/12/82/779771282.db2.gz ZDXLDXMHGWPPHG-FRRDWIJNSA-N 1 1 312.414 -1.077 20 0 DAADMO CC(C)(O)[C@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260796 779772057 /nfs/dbraw/zinc/77/20/57/779772057.db2.gz HITGSHIAFKXFIH-LLVKDONJSA-N 1 1 308.386 -1.203 20 0 DAADMO NCC(=O)NCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262961 779772549 /nfs/dbraw/zinc/77/25/49/779772549.db2.gz WQKIHZVUQJYIAH-UHFFFAOYSA-N 1 1 307.358 -2.226 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158425734 779775002 /nfs/dbraw/zinc/77/50/02/779775002.db2.gz DRVGYTAAJWMNGJ-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001158430801 779775739 /nfs/dbraw/zinc/77/57/39/779775739.db2.gz MBDRZYOFXMEEGM-VIFPVBQESA-N 1 1 309.326 -1.215 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)CNCCC[NH3+])C2 ZINC001158430576 779775881 /nfs/dbraw/zinc/77/58/81/779775881.db2.gz JIIWYRCULCCUFK-UHFFFAOYSA-N 1 1 310.358 -1.265 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001158432423 779775988 /nfs/dbraw/zinc/77/59/88/779775988.db2.gz VNHGGRUIKKDSCL-IUCAKERBSA-N 1 1 308.342 -1.514 20 0 DAADMO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507721 779777139 /nfs/dbraw/zinc/77/71/39/779777139.db2.gz PUNMOXPCMCRNND-GHMZBOCLSA-N 1 1 324.385 -1.031 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001158529727 779777192 /nfs/dbraw/zinc/77/71/92/779777192.db2.gz PJNMFBQEAUGBFP-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507723 779777230 /nfs/dbraw/zinc/77/72/30/779777230.db2.gz PUNMOXPCMCRNND-MNOVXSKESA-N 1 1 324.385 -1.031 20 0 DAADMO Cn1nnc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158487215 779777274 /nfs/dbraw/zinc/77/72/74/779777274.db2.gz WVWFGOZAYAYMCX-RYUDHWBXSA-N 1 1 323.401 -1.331 20 0 DAADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H](N)C[NH3+] ZINC001158735149 779779471 /nfs/dbraw/zinc/77/94/71/779779471.db2.gz PHGGCLTUQIEHSC-QMMMGPOBSA-N 1 1 317.371 -2.106 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001158661144 779779538 /nfs/dbraw/zinc/77/95/38/779779538.db2.gz RMRRNJNUMXKRDG-LLVKDONJSA-N 1 1 309.374 -1.139 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001158661144 779779544 /nfs/dbraw/zinc/77/95/44/779779544.db2.gz RMRRNJNUMXKRDG-LLVKDONJSA-N 1 1 309.374 -1.139 20 0 DAADMO O=C([C@@H]1COC[NH2+]1)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821189 779781924 /nfs/dbraw/zinc/78/19/24/779781924.db2.gz BYBQBHLQIUHDOI-NSHDSACASA-N 1 1 322.369 -1.602 20 0 DAADMO CCN(C)c1cc[nH+]c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1 ZINC001158969539 779782755 /nfs/dbraw/zinc/78/27/55/779782755.db2.gz DDOKDUCJKPPOHP-YNVCDSSISA-N 1 1 314.342 -1.856 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001158971323 779782785 /nfs/dbraw/zinc/78/27/85/779782785.db2.gz QGEBFYHNFLSBQT-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001158971323 779782791 /nfs/dbraw/zinc/78/27/91/779782791.db2.gz QGEBFYHNFLSBQT-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1ccc2c1nc[nH+]c2N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001158973557 779783070 /nfs/dbraw/zinc/78/30/70/779783070.db2.gz AZAHNUPHUPOJEU-RGXSPZPFSA-N 1 1 310.310 -1.820 20 0 DAADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](N)C[NH2+]2)cn1 ZINC001159084858 779786879 /nfs/dbraw/zinc/78/68/79/779786879.db2.gz MXSQUKCHRWLEIB-XYJRDEOASA-N 1 1 318.381 -1.185 20 0 DAADMO COCc1[nH]nc2c1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159092074 779786958 /nfs/dbraw/zinc/78/69/58/779786958.db2.gz ZDWOKNQSZGJJRE-GFCCVEGCSA-N 1 1 307.354 -1.271 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159205769 779788750 /nfs/dbraw/zinc/78/87/50/779788750.db2.gz DPPVSYLDMKUMIS-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159205769 779788757 /nfs/dbraw/zinc/78/87/57/779788757.db2.gz DPPVSYLDMKUMIS-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210265 779789361 /nfs/dbraw/zinc/78/93/61/779789361.db2.gz HPMVIBXPCHSYIS-CYBMUJFWSA-N 1 1 324.385 -1.181 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159211064 779789437 /nfs/dbraw/zinc/78/94/37/779789437.db2.gz VAMBDSPLWLRINO-JTQLQIEISA-N 1 1 311.386 -1.072 20 0 DAADMO O=C([C@@H]1COC[NH2+]1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159267689 779790332 /nfs/dbraw/zinc/79/03/32/779790332.db2.gz NCMGZPGMBBXFJM-TUAOUCFPSA-N 1 1 305.338 -1.162 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159289862 779791456 /nfs/dbraw/zinc/79/14/56/779791456.db2.gz BZNMVYFMRLLMIW-AAEUAGOBSA-N 1 1 324.425 -1.245 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159289862 779791462 /nfs/dbraw/zinc/79/14/62/779791462.db2.gz BZNMVYFMRLLMIW-AAEUAGOBSA-N 1 1 324.425 -1.245 20 0 DAADMO O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271765 779791681 /nfs/dbraw/zinc/79/16/81/779791681.db2.gz IHUPCFZBNSMUNH-XQQFMLRXSA-N 1 1 319.365 -1.119 20 0 DAADMO CNC(=O)NCC(=O)NCCC[NH2+]Cc1nc(N(C)C)no1 ZINC001159341013 779792642 /nfs/dbraw/zinc/79/26/42/779792642.db2.gz HCIGIVYIFSDHBR-UHFFFAOYSA-N 1 1 313.362 -1.340 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)C1 ZINC001159601040 779796019 /nfs/dbraw/zinc/79/60/19/779796019.db2.gz YNHBPUCVELCFJM-RKQHYHRCSA-N 1 1 322.409 -1.182 20 0 DAADMO NC(=O)CC(=O)NCCC1=CC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001159666600 779796217 /nfs/dbraw/zinc/79/62/17/779796217.db2.gz ATYBZBGNJVFOFU-NSHDSACASA-N 1 1 322.365 -1.195 20 0 DAADMO CC[C@@]([NH3+])(CO)Nc1ncc(S(N)(=O)=O)cc1C(=O)OC ZINC001159747503 779796445 /nfs/dbraw/zinc/79/64/45/779796445.db2.gz GEOROUZJTADPDH-NSHDSACASA-N 1 1 318.355 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CCOCC2)CC1 ZINC001159865412 779797074 /nfs/dbraw/zinc/79/70/74/779797074.db2.gz BPHGYWJXDJILSW-UHFFFAOYSA-N 1 1 310.398 -1.058 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CCOCC2)CC1 ZINC001159865412 779797082 /nfs/dbraw/zinc/79/70/82/779797082.db2.gz BPHGYWJXDJILSW-UHFFFAOYSA-N 1 1 310.398 -1.058 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159884786 779797745 /nfs/dbraw/zinc/79/77/45/779797745.db2.gz JVXQUEAUUZMUHV-UHFFFAOYSA-N 1 1 308.342 -1.393 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159884786 779797753 /nfs/dbraw/zinc/79/77/53/779797753.db2.gz JVXQUEAUUZMUHV-UHFFFAOYSA-N 1 1 308.342 -1.393 20 0 DAADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@H](N)CCC[NH3+] ZINC001159788089 779797964 /nfs/dbraw/zinc/79/79/64/779797964.db2.gz GXCAHCHVLOTETL-VIFPVBQESA-N 1 1 317.371 -1.049 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CCOCC2=O)o1 ZINC001160016239 779798285 /nfs/dbraw/zinc/79/82/85/779798285.db2.gz SSQPOIKPSWGIAY-UHFFFAOYSA-N 1 1 311.342 -1.167 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)C2 ZINC001159930040 779798402 /nfs/dbraw/zinc/79/84/02/779798402.db2.gz PJRTVRXEPYOJOM-ZJUUUORDSA-N 1 1 307.358 -2.054 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001159930270 779798929 /nfs/dbraw/zinc/79/89/29/779798929.db2.gz QGGZCDHWGMEAMC-JTQLQIEISA-N 1 1 308.342 -1.755 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001159996637 779799324 /nfs/dbraw/zinc/79/93/24/779799324.db2.gz LCSJAVLRRCRZAI-NSHDSACASA-N 1 1 310.354 -1.021 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001159996637 779799333 /nfs/dbraw/zinc/79/93/33/779799333.db2.gz LCSJAVLRRCRZAI-NSHDSACASA-N 1 1 310.354 -1.021 20 0 DAADMO O=C(CN1CCOCC1=O)NCCC[NH2+]Cc1cnsn1 ZINC001160014941 779799377 /nfs/dbraw/zinc/79/93/77/779799377.db2.gz FXYGWFFZFJXPHR-UHFFFAOYSA-N 1 1 313.383 -1.007 20 0 DAADMO CN1C[C@@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@@H]2C1=O ZINC001159887738 779799427 /nfs/dbraw/zinc/79/94/27/779799427.db2.gz XTDKARXIKNKFKN-WXHSDQCUSA-N 1 1 309.414 -1.717 20 0 DAADMO O=C(Cn1ncnn1)NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001160150214 779799851 /nfs/dbraw/zinc/79/98/51/779799851.db2.gz HKWAFYNGSUCKOV-LBPRGKRZSA-N 1 1 319.369 -1.300 20 0 DAADMO CNC(=O)NCCC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001160021837 779800957 /nfs/dbraw/zinc/80/09/57/779800957.db2.gz YVTBPLWWHKZOPG-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO CNC(=O)NCCC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001160021837 779800959 /nfs/dbraw/zinc/80/09/59/779800959.db2.gz YVTBPLWWHKZOPG-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)CNCCC[NH3+])C2 ZINC001160172378 779801812 /nfs/dbraw/zinc/80/18/12/779801812.db2.gz DFRAYFZEBSJQHB-AWEZNQCLSA-N 1 1 311.386 -2.126 20 0 DAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4COCC[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216276 779803443 /nfs/dbraw/zinc/80/34/43/779803443.db2.gz DJVYRRPKNVIXBI-DRZSPHRISA-N 1 1 319.365 -1.170 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001160325603 779804498 /nfs/dbraw/zinc/80/44/98/779804498.db2.gz BFVSLMVIVCDHJN-RKDXNWHRSA-N 1 1 308.342 -1.196 20 0 DAADMO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CCC2 ZINC001160322352 779805594 /nfs/dbraw/zinc/80/55/94/779805594.db2.gz AATRCWRJTSYLQM-NEPJUHHUSA-N 1 1 320.397 -1.059 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160431957 779806644 /nfs/dbraw/zinc/80/66/44/779806644.db2.gz JLBORVBDLYSWPR-JTQLQIEISA-N 1 1 301.372 -1.617 20 0 DAADMO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160492033 779808007 /nfs/dbraw/zinc/80/80/07/779808007.db2.gz CPVVSOATBHOJQD-GHCJXIJMSA-N 1 1 317.367 -1.708 20 0 DAADMO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160492039 779808147 /nfs/dbraw/zinc/80/81/47/779808147.db2.gz CPVVSOATBHOJQD-OORONAJNSA-N 1 1 317.367 -1.708 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160484867 779808231 /nfs/dbraw/zinc/80/82/31/779808231.db2.gz HRGLHSYHQFRBHW-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160493582 779809374 /nfs/dbraw/zinc/80/93/74/779809374.db2.gz NNUOOKKZGCNBNQ-NRPADANISA-N 1 1 318.351 -1.409 20 0 DAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001160585647 779810553 /nfs/dbraw/zinc/81/05/53/779810553.db2.gz MXFPECJVQULDRW-NSHDSACASA-N 1 1 305.400 -1.489 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001160581202 779811109 /nfs/dbraw/zinc/81/11/09/779811109.db2.gz DZLLWUFZFNPMRI-QWRGUYRKSA-N 1 1 300.403 -1.247 20 0 DAADMO COC(=O)CN1CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC1 ZINC001160531423 779811332 /nfs/dbraw/zinc/81/13/32/779811332.db2.gz PJDAKBWXMSJNDK-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO CN1CCN(C2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C2)CC1=O ZINC001160634533 779812434 /nfs/dbraw/zinc/81/24/34/779812434.db2.gz CKOHJZZVHMEFGL-LBPRGKRZSA-N 1 1 306.370 -1.736 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636223 779813086 /nfs/dbraw/zinc/81/30/86/779813086.db2.gz HXKQJKKMVUAUQI-CYBMUJFWSA-N 1 1 324.429 -2.621 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640835 779814902 /nfs/dbraw/zinc/81/49/02/779814902.db2.gz RESRHXCVWAAJSK-VXGBXAGGSA-N 1 1 311.386 -1.600 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647553 779815038 /nfs/dbraw/zinc/81/50/38/779815038.db2.gz NBBFJWVELFOGED-OLZOCXBDSA-N 1 1 309.414 -1.430 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643189 779815690 /nfs/dbraw/zinc/81/56/90/779815690.db2.gz BXRCFHWHTYRLHN-KBPBESRZSA-N 1 1 320.393 -1.141 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160789125 779818682 /nfs/dbraw/zinc/81/86/82/779818682.db2.gz WDVLVFFUQOCFKV-XRNSZHNASA-N 1 1 308.338 -1.021 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1 ZINC001160880174 779820944 /nfs/dbraw/zinc/82/09/44/779820944.db2.gz VAMZVYKTYIIDSV-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001160860616 779821383 /nfs/dbraw/zinc/82/13/83/779821383.db2.gz KOOPDJVAYAOUED-GFCCVEGCSA-N 1 1 323.397 -1.106 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001160860616 779821390 /nfs/dbraw/zinc/82/13/90/779821390.db2.gz KOOPDJVAYAOUED-GFCCVEGCSA-N 1 1 323.397 -1.106 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC001160880177 779821836 /nfs/dbraw/zinc/82/18/36/779821836.db2.gz VAMZVYKTYIIDSV-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160927194 779823583 /nfs/dbraw/zinc/82/35/83/779823583.db2.gz CTVPKHUJLUXXPM-SECBINFHSA-N 1 1 307.358 -1.164 20 0 DAADMO NS(=O)(=O)c1ccc(NCCN2CC[NH2+]CC2=O)nn1 ZINC001161025609 779824327 /nfs/dbraw/zinc/82/43/27/779824327.db2.gz VXTPWVQSDCDDDF-UHFFFAOYSA-N 1 1 300.344 -2.032 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161051526 779824355 /nfs/dbraw/zinc/82/43/55/779824355.db2.gz YTIJWRBBFDWSFZ-KOLCDFICSA-N 1 1 309.370 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050716 779824459 /nfs/dbraw/zinc/82/44/59/779824459.db2.gz KPLJHMALGDQBRM-GFCCVEGCSA-N 1 1 323.397 -1.058 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050716 779824468 /nfs/dbraw/zinc/82/44/68/779824468.db2.gz KPLJHMALGDQBRM-GFCCVEGCSA-N 1 1 323.397 -1.058 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001161035170 779824573 /nfs/dbraw/zinc/82/45/73/779824573.db2.gz UNIGZKPTCYFKCB-RYUDHWBXSA-N 1 1 310.398 -1.085 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050726 779825340 /nfs/dbraw/zinc/82/53/40/779825340.db2.gz KWNKYEZZZJQBOV-JQWIXIFHSA-N 1 1 323.397 -1.059 20 0 DAADMO COc1cc(N2CCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC2)ncn1 ZINC001161093397 779826165 /nfs/dbraw/zinc/82/61/65/779826165.db2.gz MZWGITUHGZTXOD-QWRGUYRKSA-N 1 1 306.370 -1.177 20 0 DAADMO C[C@@H](C(=O)NCCC[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001161083456 779826828 /nfs/dbraw/zinc/82/68/28/779826828.db2.gz JHARUZXTOFKZJA-QMMMGPOBSA-N 1 1 304.376 -1.761 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](CCN2CCNC2=O)CC1 ZINC001161096233 779828279 /nfs/dbraw/zinc/82/82/79/779828279.db2.gz GFFNJHHSHDURCK-UHFFFAOYSA-N 1 1 309.370 -1.365 20 0 DAADMO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H](N)CO ZINC001161158856 779829398 /nfs/dbraw/zinc/82/93/98/779829398.db2.gz OCYUHIXTDQEQFR-UWVGGRQHSA-N 1 1 318.374 -2.449 20 0 DAADMO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001161343506 779834543 /nfs/dbraw/zinc/83/45/43/779834543.db2.gz GSIDCEUUXRCJFK-NSHDSACASA-N 1 1 310.354 -1.285 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CCN1C(C)=O ZINC001161295161 779834705 /nfs/dbraw/zinc/83/47/05/779834705.db2.gz HBZRSNVIPDPTOK-VXGBXAGGSA-N 1 1 323.353 -1.488 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CCN(C)C(=O)C2)n1 ZINC001161396482 779835947 /nfs/dbraw/zinc/83/59/47/779835947.db2.gz SVOQXGWXBOHLOJ-UHFFFAOYSA-N 1 1 324.385 -1.252 20 0 DAADMO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)COC(C)=O)CC2 ZINC001161476213 779839024 /nfs/dbraw/zinc/83/90/24/779839024.db2.gz BLVHEDISQXFOOE-MISXGVKJSA-N 1 1 313.354 -1.370 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CNCCC1=O)CC2 ZINC001161478375 779839295 /nfs/dbraw/zinc/83/92/95/779839295.db2.gz MCRVJFUMYNINKQ-NVBFEUDRSA-N 1 1 309.366 -1.081 20 0 DAADMO CN(C1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1)[C@H]1CCOC1 ZINC001161498661 779839800 /nfs/dbraw/zinc/83/98/00/779839800.db2.gz KVKJYWOLJRJJPX-CMPLNLGQSA-N 1 1 313.402 -1.306 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491903 779840183 /nfs/dbraw/zinc/84/01/83/779840183.db2.gz JNHNSCLTAJNOQC-NTZNESFSSA-N 1 1 310.398 -1.589 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161492086 779840481 /nfs/dbraw/zinc/84/04/81/779840481.db2.gz QFSYBRLVEIPAHH-UHFFFAOYSA-N 1 1 310.354 -1.331 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511004 779842746 /nfs/dbraw/zinc/84/27/46/779842746.db2.gz USRACPSJOMRXKC-VHSXEESVSA-N 1 1 302.400 -1.673 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)NC1CCOCC1 ZINC001161691835 779843222 /nfs/dbraw/zinc/84/32/22/779843222.db2.gz YJCCWRHVBYCJSN-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161706816 779844863 /nfs/dbraw/zinc/84/48/63/779844863.db2.gz KBOPMRBDIDTPJW-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001161706987 779845783 /nfs/dbraw/zinc/84/57/83/779845783.db2.gz MFUHRRZNAZGGEV-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCCC2=CC[N@@H+](CCO)CC2)nn1 ZINC001161938373 779847675 /nfs/dbraw/zinc/84/76/75/779847675.db2.gz KDENDMSFIFGROK-UHFFFAOYSA-N 1 1 322.369 -1.492 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001161957504 779847737 /nfs/dbraw/zinc/84/77/37/779847737.db2.gz CNJPVCNGEMEAGK-UHFFFAOYSA-N 1 1 322.325 -1.064 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001162016600 779848387 /nfs/dbraw/zinc/84/83/87/779848387.db2.gz IWDZOESTGAYUAK-NSHDSACASA-N 1 1 322.365 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001162016600 779848393 /nfs/dbraw/zinc/84/83/93/779848393.db2.gz IWDZOESTGAYUAK-NSHDSACASA-N 1 1 322.365 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001162016597 779848407 /nfs/dbraw/zinc/84/84/07/779848407.db2.gz IWDZOESTGAYUAK-LLVKDONJSA-N 1 1 322.365 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001162016597 779848413 /nfs/dbraw/zinc/84/84/13/779848413.db2.gz IWDZOESTGAYUAK-LLVKDONJSA-N 1 1 322.365 -1.337 20 0 DAADMO COCC1(CNC(=O)CC(N)=O)CC[NH+](CC(N)=O)CC1 ZINC001162182323 779851031 /nfs/dbraw/zinc/85/10/31/779851031.db2.gz JEBJPOKIYPGAMV-UHFFFAOYSA-N 1 1 300.359 -1.808 20 0 DAADMO COc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1NC(C)C ZINC001162435543 779852431 /nfs/dbraw/zinc/85/24/31/779852431.db2.gz CZYKYRSQNKFQEX-JBLDHEPKSA-N 1 1 308.390 -1.198 20 0 DAADMO COCC1(CNC(=O)Cn2nccn2)CC[NH+](CC(N)=O)CC1 ZINC001162288672 779852595 /nfs/dbraw/zinc/85/25/95/779852595.db2.gz XCWABSRAVNMMBQ-UHFFFAOYSA-N 1 1 324.385 -1.392 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(N3CCCCC3)nn2)[C@H]2NCN[C@H]21 ZINC001162437501 779853691 /nfs/dbraw/zinc/85/36/91/779853691.db2.gz UHFZGMOZBXVRFQ-BFHYXJOUSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1OC ZINC001162436350 779853820 /nfs/dbraw/zinc/85/38/20/779853820.db2.gz KILXYLUETWAVFQ-WOPDTQHZSA-N 1 1 308.342 -1.626 20 0 DAADMO COC(=O)c1c[nH]c2nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ccc12 ZINC001162437147 779854041 /nfs/dbraw/zinc/85/40/41/779854041.db2.gz AYIVSTHWSPYQAI-GVXVVHGQSA-N 1 1 317.353 -1.154 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCOCC3)ncn2)[C@@H]2NCN[C@H]21 ZINC001162437805 779854064 /nfs/dbraw/zinc/85/40/64/779854064.db2.gz VTPWSTVJKYGABQ-XQQFMLRXSA-N 1 1 306.374 -2.190 20 0 DAADMO COC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162438076 779854258 /nfs/dbraw/zinc/85/42/58/779854258.db2.gz WQSIDLGARAHILT-HRDYMLBCSA-N 1 1 313.749 -1.587 20 0 DAADMO NC(=O)c1cc(F)c(Cl)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162436665 779854279 /nfs/dbraw/zinc/85/42/79/779854279.db2.gz ORMXTEHMWDFUQK-CDOJRTKCSA-N 1 1 315.740 -1.530 20 0 DAADMO CC(C)(C)C(=O)Nc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nn1 ZINC001162437712 779854294 /nfs/dbraw/zinc/85/42/94/779854294.db2.gz CXTKDGVVTDCSDK-WOPDTQHZSA-N 1 1 320.401 -1.042 20 0 DAADMO COC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1OC ZINC001162438450 779854731 /nfs/dbraw/zinc/85/47/31/779854731.db2.gz YWAVMYNKVLENSQ-GARJFASQSA-N 1 1 308.342 -1.626 20 0 DAADMO Cc1nc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2[nH]1 ZINC001162440770 779854767 /nfs/dbraw/zinc/85/47/67/779854767.db2.gz VKFTXAOCVYOMQB-XWDQLLGVSA-N 1 1 309.765 -1.188 20 0 DAADMO COCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc(SC)n1 ZINC001162439026 779854947 /nfs/dbraw/zinc/85/49/47/779854947.db2.gz JVFIGUPLFMLKQA-GARJFASQSA-N 1 1 311.415 -1.158 20 0 DAADMO COC(=O)c1cc(OC)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162438671 779854973 /nfs/dbraw/zinc/85/49/73/779854973.db2.gz HGKMXSWGVRCRQX-JFGNBEQYSA-N 1 1 308.342 -1.626 20 0 DAADMO Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162440747 779855182 /nfs/dbraw/zinc/85/51/82/779855182.db2.gz UVULOQXRWOJYAA-MHSYXAOVSA-N 1 1 309.765 -1.486 20 0 DAADMO CCOC(=O)c1cc(F)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162438389 779855427 /nfs/dbraw/zinc/85/54/27/779855427.db2.gz YAVLUNZHBAYDQX-JBLDHEPKSA-N 1 1 310.333 -1.106 20 0 DAADMO COCc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc(SC)n1 ZINC001162439030 779855442 /nfs/dbraw/zinc/85/54/42/779855442.db2.gz JVFIGUPLFMLKQA-VWYCJHECSA-N 1 1 311.415 -1.158 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1C ZINC001162438688 779855576 /nfs/dbraw/zinc/85/55/76/779855576.db2.gz HHUBRLPBKQHACE-GARJFASQSA-N 1 1 307.358 -1.541 20 0 DAADMO COC(=O)c1cc(F)c(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162440013 779855870 /nfs/dbraw/zinc/85/58/70/779855870.db2.gz PVUBGQVVUNEUSS-SCVCMEIPSA-N 1 1 310.333 -1.187 20 0 DAADMO CN1CC(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc21 ZINC001162438977 779856009 /nfs/dbraw/zinc/85/60/09/779856009.db2.gz JBXYBGZNATZAFJ-WCABBAIRSA-N 1 1 305.346 -2.638 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(-n3ccccc3=O)n2)[C@H]2NCN[C@@H]21 ZINC001162444376 779856818 /nfs/dbraw/zinc/85/68/18/779856818.db2.gz BICXVLHPSWZUFK-JHJVBQTASA-N 1 1 314.353 -1.876 20 0 DAADMO CCOC(=O)Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001162442233 779857101 /nfs/dbraw/zinc/85/71/01/779857101.db2.gz AHNKPDOWMXYZAM-RDBSUJKOSA-N 1 1 306.370 -1.316 20 0 DAADMO CC1(C)C(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c21 ZINC001162443916 779857471 /nfs/dbraw/zinc/85/74/71/779857471.db2.gz ASXMEKNCYUUXGF-DKCNOQQISA-N 1 1 304.358 -1.797 20 0 DAADMO CC1(C)C(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c21 ZINC001162443917 779857659 /nfs/dbraw/zinc/85/76/59/779857659.db2.gz ASXMEKNCYUUXGF-FYBVGQRMSA-N 1 1 304.358 -1.797 20 0 DAADMO Cc1noc(-c2ccnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2)n1 ZINC001162445113 779857999 /nfs/dbraw/zinc/85/79/99/779857999.db2.gz FAXKNWDEGTUADF-WOPDTQHZSA-N 1 1 302.342 -1.063 20 0 DAADMO COC(=O)c1cc2c[nH]c(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc-2n1 ZINC001162446108 779858034 /nfs/dbraw/zinc/85/80/34/779858034.db2.gz GPJOWZOWQHIMKY-AGIUHOORSA-N 1 1 317.353 -1.154 20 0 DAADMO COC(=O)c1nc(Cl)cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162445046 779858221 /nfs/dbraw/zinc/85/82/21/779858221.db2.gz SAHAQMQQIJKOJA-OYNCUSHFSA-N 1 1 313.749 -1.587 20 0 DAADMO [NH3+][C@@H]1NCN(c2nccc(N3CCCCC3)n2)[C@H]2NCN[C@@H]21 ZINC001162444964 779858447 /nfs/dbraw/zinc/85/84/47/779858447.db2.gz DELRLOZXRYRCQX-JHJVBQTASA-N 1 1 304.402 -1.036 20 0 DAADMO CCCNC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1 ZINC001162445653 779858493 /nfs/dbraw/zinc/85/84/93/779858493.db2.gz GFFLLSNULMARCV-FRRDWIJNSA-N 1 1 305.386 -1.282 20 0 DAADMO Cc1noc(-c2cccnc2N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162445080 779858524 /nfs/dbraw/zinc/85/85/24/779858524.db2.gz DONYTMNGORFFAM-JFGNBEQYSA-N 1 1 302.342 -1.063 20 0 DAADMO Cc1noc(-c2ccnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2)n1 ZINC001162445110 779858688 /nfs/dbraw/zinc/85/86/88/779858688.db2.gz FAXKNWDEGTUADF-GRYCIOLGSA-N 1 1 302.342 -1.063 20 0 DAADMO [NH3+][C@@H]1NCN(c2nccc(N3CCCCC3)n2)[C@H]2NCN[C@H]21 ZINC001162444968 779858968 /nfs/dbraw/zinc/85/89/68/779858968.db2.gz DELRLOZXRYRCQX-YNEHKIRRSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(=O)c1cc2c[nH]c(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc-2n1 ZINC001162446110 779859045 /nfs/dbraw/zinc/85/90/45/779859045.db2.gz GPJOWZOWQHIMKY-FRRDWIJNSA-N 1 1 317.353 -1.154 20 0 DAADMO Cc1nc(-n2cncn2)cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162444498 779859067 /nfs/dbraw/zinc/85/90/67/779859067.db2.gz PCCCHHDOAAIHBP-GRYCIOLGSA-N 1 1 302.346 -2.137 20 0 DAADMO Cc1noc(-c2ccnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2)n1 ZINC001162445111 779859125 /nfs/dbraw/zinc/85/91/25/779859125.db2.gz FAXKNWDEGTUADF-SDDRHHMPSA-N 1 1 302.342 -1.063 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCCCC3)ncn2)[C@@H]2NCN[C@H]21 ZINC001162449655 779859619 /nfs/dbraw/zinc/85/96/19/779859619.db2.gz WQHFTYNOPCOMKO-MJBXVCDLSA-N 1 1 304.402 -1.036 20 0 DAADMO CON(C)C(=O)c1cc(C)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162448518 779859747 /nfs/dbraw/zinc/85/97/47/779859747.db2.gz QSWVJUSTDMBKTM-NTZNESFSSA-N 1 1 321.385 -1.480 20 0 DAADMO CCCNC(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162447625 779859799 /nfs/dbraw/zinc/85/97/99/779859799.db2.gz NPDXUBXJVHRGLT-MDZLAQPJSA-N 1 1 305.386 -1.282 20 0 DAADMO COC(=O)CSc1cccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162446395 779859893 /nfs/dbraw/zinc/85/98/93/779859893.db2.gz HPFTUMCSBBTZBU-FRRDWIJNSA-N 1 1 324.410 -1.156 20 0 DAADMO COC(OC)c1c(CO)ccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162447727 779860048 /nfs/dbraw/zinc/86/00/48/779860048.db2.gz OAJFORXYOBVTKP-MDZLAQPJSA-N 1 1 324.385 -1.638 20 0 DAADMO CCCNC(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162447623 779860055 /nfs/dbraw/zinc/86/00/55/779860055.db2.gz NPDXUBXJVHRGLT-GVXVVHGQSA-N 1 1 305.386 -1.282 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCCCC3)ncn2)[C@H]2NCN[C@@H]21 ZINC001162449654 779860225 /nfs/dbraw/zinc/86/02/25/779860225.db2.gz WQHFTYNOPCOMKO-MGPQQGTHSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(OC)c1c(CO)ccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162447725 779860264 /nfs/dbraw/zinc/86/02/64/779860264.db2.gz OAJFORXYOBVTKP-GVXVVHGQSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)n1cnc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc21 ZINC001162449350 779860656 /nfs/dbraw/zinc/86/06/56/779860656.db2.gz VDQZIYNGSBTQLT-JFGNBEQYSA-N 1 1 303.374 -1.096 20 0 DAADMO CCCNC(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162447622 779860704 /nfs/dbraw/zinc/86/07/04/779860704.db2.gz NPDXUBXJVHRGLT-GMXVVIOVSA-N 1 1 305.386 -1.282 20 0 DAADMO Cc1nc2c(nc(Cl)nc2N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1C ZINC001162450272 779861722 /nfs/dbraw/zinc/86/17/22/779861722.db2.gz ZMAMIGLXDGPESV-YEPSODPASA-N 1 1 323.792 -1.178 20 0 DAADMO COCC1(CNC(=O)c2cnn(C)n2)CC[NH+](CC(N)=O)CC1 ZINC001162533209 779861764 /nfs/dbraw/zinc/86/17/64/779861764.db2.gz ITAPVHVLNJDSNY-UHFFFAOYSA-N 1 1 324.385 -1.241 20 0 DAADMO COCC1(CNC(=O)Cn2cncn2)CC[NH+](CC(N)=O)CC1 ZINC001162599694 779862040 /nfs/dbraw/zinc/86/20/40/779862040.db2.gz YUHHXUBKQQTALM-UHFFFAOYSA-N 1 1 324.385 -1.392 20 0 DAADMO COCC1(CNC(=O)C(N)=O)CC[NH+](Cc2cn(C)nn2)CC1 ZINC001162450413 779862192 /nfs/dbraw/zinc/86/21/92/779862192.db2.gz XKXVTCQCGFHPGI-UHFFFAOYSA-N 1 1 324.385 -1.355 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1csnn1 ZINC001163283717 779866816 /nfs/dbraw/zinc/86/68/16/779866816.db2.gz SPMXUYSGAFNUAE-UHFFFAOYSA-N 1 1 322.416 -1.812 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001163284007 779866875 /nfs/dbraw/zinc/86/68/75/779866875.db2.gz VWGOJPQBYXKQFX-UHFFFAOYSA-N 1 1 320.375 -1.972 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)CN2CCNC(=O)C2)o1 ZINC001163883720 779871924 /nfs/dbraw/zinc/87/19/24/779871924.db2.gz PYXPWGFVANZDLC-SNVBAGLBSA-N 1 1 324.385 -1.033 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC[NH2+]Cc1csnn1 ZINC001163880624 779872103 /nfs/dbraw/zinc/87/21/03/779872103.db2.gz OMOJHCNWQANEMK-UHFFFAOYSA-N 1 1 312.399 -1.434 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001163944131 779874415 /nfs/dbraw/zinc/87/44/15/779874415.db2.gz SZGZYGYWYYEQKZ-VIFPVBQESA-N 1 1 311.342 -1.052 20 0 DAADMO OC[C@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@@H]1O ZINC001164544167 779879117 /nfs/dbraw/zinc/87/91/17/779879117.db2.gz IAQNNTAQDPBSHR-MFKMUULPSA-N 1 1 321.381 -1.294 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H](C(N)=O)C3)n2)CC1 ZINC001165144208 779880555 /nfs/dbraw/zinc/88/05/55/779880555.db2.gz HKPBQFVQKFPRGA-LLVKDONJSA-N 1 1 306.370 -1.081 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CCO[C@H](C(N)=O)C3)n2)CC1 ZINC001165144228 779880622 /nfs/dbraw/zinc/88/06/22/779880622.db2.gz HKPBQFVQKFPRGA-NSHDSACASA-N 1 1 306.370 -1.081 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CCN(CC(N)=O)CC3)n2)CC1 ZINC001165153032 779880871 /nfs/dbraw/zinc/88/08/71/779880871.db2.gz GCHVVPPCCNSOAK-UHFFFAOYSA-N 1 1 319.413 -1.164 20 0 DAADMO CS(=O)(=O)Cc1noc(C[NH2+]CCCNC(=O)C(N)=O)n1 ZINC001165645627 779887091 /nfs/dbraw/zinc/88/70/91/779887091.db2.gz MSDAMCBKEVYGTA-UHFFFAOYSA-N 1 1 319.343 -2.305 20 0 DAADMO CNC(=O)C[NH2+]CCCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC001165731972 779887728 /nfs/dbraw/zinc/88/77/28/779887728.db2.gz SEFXUOUECVYZCS-LBPRGKRZSA-N 1 1 324.385 -1.701 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001165731707 779887926 /nfs/dbraw/zinc/88/79/26/779887926.db2.gz PABRFBRTAMZASI-GWCFXTLKSA-N 1 1 311.386 -1.066 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)=NC1=O ZINC001165867521 779889126 /nfs/dbraw/zinc/88/91/26/779889126.db2.gz FDXQFQUNNVRMAI-UHFFFAOYSA-N 1 1 323.353 -1.016 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707252 779891547 /nfs/dbraw/zinc/89/15/47/779891547.db2.gz FBBVFOXUUCGTHM-WDEREUQCSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707252 779891554 /nfs/dbraw/zinc/89/15/54/779891554.db2.gz FBBVFOXUUCGTHM-WDEREUQCSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707248 779891663 /nfs/dbraw/zinc/89/16/63/779891663.db2.gz FBBVFOXUUCGTHM-GHMZBOCLSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707248 779891666 /nfs/dbraw/zinc/89/16/66/779891666.db2.gz FBBVFOXUUCGTHM-GHMZBOCLSA-N 1 1 310.402 -1.098 20 0 DAADMO COC(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)nc1C(=O)OC ZINC001166723831 779891716 /nfs/dbraw/zinc/89/17/16/779891716.db2.gz KDKAJYWREFNRQG-VIFPVBQESA-N 1 1 322.321 -1.082 20 0 DAADMO NC(=O)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2F)CC[NH2+]1 ZINC001166725214 779891860 /nfs/dbraw/zinc/89/18/60/779891860.db2.gz DWOUMAFZMGVEEE-QMMMGPOBSA-N 1 1 303.319 -1.868 20 0 DAADMO CS(=O)(=O)c1c[nH]c2ncnc(N3CC[NH2+][C@@H](C(N)=O)C3)c21 ZINC001166724873 779891925 /nfs/dbraw/zinc/89/19/25/779891925.db2.gz YKSBRRPHJMWBKQ-SSDOTTSWSA-N 1 1 324.366 -1.375 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001166974231 779895620 /nfs/dbraw/zinc/89/56/20/779895620.db2.gz GGOHUNZCSGVWKZ-UHFFFAOYSA-N 1 1 322.369 -1.018 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001166974231 779895625 /nfs/dbraw/zinc/89/56/25/779895625.db2.gz GGOHUNZCSGVWKZ-UHFFFAOYSA-N 1 1 322.369 -1.018 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001276420724 779898690 /nfs/dbraw/zinc/89/86/90/779898690.db2.gz CGAABSKJHVQNTR-GXSJLCMTSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001276461771 779900271 /nfs/dbraw/zinc/90/02/71/779900271.db2.gz WGVQEKXQRJXFCC-GXSJLCMTSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 ZINC001205182225 779901542 /nfs/dbraw/zinc/90/15/42/779901542.db2.gz XXKJMQKASHBHMQ-MRVWCRGKSA-N 1 1 321.377 -1.074 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001205101010 779901910 /nfs/dbraw/zinc/90/19/10/779901910.db2.gz XMDNANUWTXXARO-VIFPVBQESA-N 1 1 324.389 -1.405 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001205838951 779903968 /nfs/dbraw/zinc/90/39/68/779903968.db2.gz HEBRWDJAJALKEI-NQBHXWOUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001205757233 779904552 /nfs/dbraw/zinc/90/45/52/779904552.db2.gz TURPFNHEWUAYBH-KWCYVHTRSA-N 1 1 323.397 -1.183 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205865749 779904618 /nfs/dbraw/zinc/90/46/18/779904618.db2.gz UQGSVPPOZLVKQA-KHQFGBGNSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205865749 779904621 /nfs/dbraw/zinc/90/46/21/779904621.db2.gz UQGSVPPOZLVKQA-KHQFGBGNSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001205766769 779904775 /nfs/dbraw/zinc/90/47/75/779904775.db2.gz VRKJFLONDHQMMY-ZYHUDNBSSA-N 1 1 311.386 -1.416 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001205756551 779904832 /nfs/dbraw/zinc/90/48/32/779904832.db2.gz HKNSDZBCRXXJTO-NQMVMOMDSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001205756551 779904838 /nfs/dbraw/zinc/90/48/38/779904838.db2.gz HKNSDZBCRXXJTO-NQMVMOMDSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001205766812 779905102 /nfs/dbraw/zinc/90/51/02/779905102.db2.gz XOQIPQYRBXPAKM-FBIMIBRVSA-N 1 1 310.354 -1.636 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001205766812 779905106 /nfs/dbraw/zinc/90/51/06/779905106.db2.gz XOQIPQYRBXPAKM-FBIMIBRVSA-N 1 1 310.354 -1.636 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896216 779905178 /nfs/dbraw/zinc/90/51/78/779905178.db2.gz NHIRMMDPFSVUQF-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896216 779905182 /nfs/dbraw/zinc/90/51/82/779905182.db2.gz NHIRMMDPFSVUQF-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205921241 779905775 /nfs/dbraw/zinc/90/57/75/779905775.db2.gz BUAXFLRMIHORKI-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205944117 779905882 /nfs/dbraw/zinc/90/58/82/779905882.db2.gz NGQVGOAKPJOAPM-RKDXNWHRSA-N 1 1 321.403 -2.360 20 0 DAADMO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205944117 779905885 /nfs/dbraw/zinc/90/58/85/779905885.db2.gz NGQVGOAKPJOAPM-RKDXNWHRSA-N 1 1 321.403 -2.360 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205921681 779905925 /nfs/dbraw/zinc/90/59/25/779905925.db2.gz KMCUZMHWEITRBF-BWZBUEFSSA-N 1 1 314.346 -2.325 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205921681 779905928 /nfs/dbraw/zinc/90/59/28/779905928.db2.gz KMCUZMHWEITRBF-BWZBUEFSSA-N 1 1 314.346 -2.325 20 0 DAADMO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205913670 779906051 /nfs/dbraw/zinc/90/60/51/779906051.db2.gz JDYKRJVJNWMNIV-NXEZZACHSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205913670 779906053 /nfs/dbraw/zinc/90/60/53/779906053.db2.gz JDYKRJVJNWMNIV-NXEZZACHSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001206065610 779906237 /nfs/dbraw/zinc/90/62/37/779906237.db2.gz JFLMANUUCDNESQ-UPJWGTAASA-N 1 1 302.371 -1.153 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205936947 779906689 /nfs/dbraw/zinc/90/66/89/779906689.db2.gz CWKSKDRLTKECGQ-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937892 779906795 /nfs/dbraw/zinc/90/67/95/779906795.db2.gz XYMYFHJPILRWIJ-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937892 779906797 /nfs/dbraw/zinc/90/67/97/779906797.db2.gz XYMYFHJPILRWIJ-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937887 779906905 /nfs/dbraw/zinc/90/69/05/779906905.db2.gz XYAKEUKICKTWOE-GHMZBOCLSA-N 1 1 302.375 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206306948 779908080 /nfs/dbraw/zinc/90/80/80/779908080.db2.gz RXEVVVGGHMFRFB-OPRDCNLKSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206306948 779908084 /nfs/dbraw/zinc/90/80/84/779908084.db2.gz RXEVVVGGHMFRFB-OPRDCNLKSA-N 1 1 300.359 -1.087 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206619493 779908990 /nfs/dbraw/zinc/90/89/90/779908990.db2.gz CMTXEDQFIDXVNG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206619493 779908997 /nfs/dbraw/zinc/90/89/97/779908997.db2.gz CMTXEDQFIDXVNG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001206429351 779909056 /nfs/dbraw/zinc/90/90/56/779909056.db2.gz YBXSKNZQPJGPHE-OUAUKWLOSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001206429351 779909059 /nfs/dbraw/zinc/90/90/59/779909059.db2.gz YBXSKNZQPJGPHE-OUAUKWLOSA-N 1 1 312.370 -1.085 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726195 779910327 /nfs/dbraw/zinc/91/03/27/779910327.db2.gz CPUWTGKUDILYQH-GRYCIOLGSA-N 1 1 317.386 -1.678 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CN1CCOCC1 ZINC001206878470 779910934 /nfs/dbraw/zinc/91/09/34/779910934.db2.gz OHULYGPWCVFBTO-ZIAGYGMSSA-N 1 1 315.414 -1.236 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206712764 779910956 /nfs/dbraw/zinc/91/09/56/779910956.db2.gz DVRTVRZKVDFKHG-FXPVBKGRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206712764 779910959 /nfs/dbraw/zinc/91/09/59/779910959.db2.gz DVRTVRZKVDFKHG-FXPVBKGRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC(N)=O ZINC001206698315 779911068 /nfs/dbraw/zinc/91/10/68/779911068.db2.gz FTWMSQABSKRHIU-GRYCIOLGSA-N 1 1 309.370 -1.444 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206699093 779911195 /nfs/dbraw/zinc/91/11/95/779911195.db2.gz PXXOTPGSDIXIAG-MWLCHTKSSA-N 1 1 322.369 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206699093 779911201 /nfs/dbraw/zinc/91/12/01/779911201.db2.gz PXXOTPGSDIXIAG-MWLCHTKSSA-N 1 1 322.369 -1.156 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206722163 779911451 /nfs/dbraw/zinc/91/14/51/779911451.db2.gz XSTZNTNUEWHMPY-ZYHUDNBSSA-N 1 1 314.386 -1.549 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001206881199 779912311 /nfs/dbraw/zinc/91/23/11/779912311.db2.gz TXERRNNIZBWMPO-HZSPNIEDSA-N 1 1 315.414 -1.238 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206890869 779912706 /nfs/dbraw/zinc/91/27/06/779912706.db2.gz LXBUMTGSTAUMNX-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206890869 779912710 /nfs/dbraw/zinc/91/27/10/779912710.db2.gz LXBUMTGSTAUMNX-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001206882281 779913066 /nfs/dbraw/zinc/91/30/66/779913066.db2.gz LHEVZJDALSMNJS-GHMZBOCLSA-N 1 1 313.358 -1.571 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001206901832 779913268 /nfs/dbraw/zinc/91/32/68/779913268.db2.gz PIPVKTJOYRCKMH-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001206901901 779913336 /nfs/dbraw/zinc/91/33/36/779913336.db2.gz SBLQAPOSZDQQOS-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206904216 779914357 /nfs/dbraw/zinc/91/43/57/779914357.db2.gz LFHCBNYRSKVRRR-OUAUKWLOSA-N 1 1 313.402 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206904216 779914360 /nfs/dbraw/zinc/91/43/60/779914360.db2.gz LFHCBNYRSKVRRR-OUAUKWLOSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cncnc1 ZINC001206910517 779914495 /nfs/dbraw/zinc/91/44/95/779914495.db2.gz XZLHWYHFNKXACG-MWLCHTKSSA-N 1 1 320.353 -1.350 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1cncnc1 ZINC001206910517 779914502 /nfs/dbraw/zinc/91/45/02/779914502.db2.gz XZLHWYHFNKXACG-MWLCHTKSSA-N 1 1 320.353 -1.350 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001206932420 779915547 /nfs/dbraw/zinc/91/55/47/779915547.db2.gz DMEXCSFXSPUDEG-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001206932420 779915552 /nfs/dbraw/zinc/91/55/52/779915552.db2.gz DMEXCSFXSPUDEG-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001206964872 779916155 /nfs/dbraw/zinc/91/61/55/779916155.db2.gz DZLNRLITZKBUJC-OUAUKWLOSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001206935345 779916163 /nfs/dbraw/zinc/91/61/63/779916163.db2.gz WZGRIVWGEBANHM-GMTAPVOTSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206976749 779916366 /nfs/dbraw/zinc/91/63/66/779916366.db2.gz BPIVGMQVWDKSFE-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978010 779917009 /nfs/dbraw/zinc/91/70/09/779917009.db2.gz IWXBWCPZFVAZCV-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978010 779917013 /nfs/dbraw/zinc/91/70/13/779917013.db2.gz IWXBWCPZFVAZCV-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978219 779917359 /nfs/dbraw/zinc/91/73/59/779917359.db2.gz RNQCNCLYDXCXOT-VXGBXAGGSA-N 1 1 312.374 -1.227 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001207101632 779917627 /nfs/dbraw/zinc/91/76/27/779917627.db2.gz ZLMZNGFMOYDIEI-YUSALJHKSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001207101632 779917632 /nfs/dbraw/zinc/91/76/32/779917632.db2.gz ZLMZNGFMOYDIEI-YUSALJHKSA-N 1 1 320.411 -1.525 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001207044606 779917829 /nfs/dbraw/zinc/91/78/29/779917829.db2.gz NQJMBACLARTIGK-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207037663 779918048 /nfs/dbraw/zinc/91/80/48/779918048.db2.gz QLJKRPPAJLBIOJ-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207037663 779918052 /nfs/dbraw/zinc/91/80/52/779918052.db2.gz QLJKRPPAJLBIOJ-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207307162 779919658 /nfs/dbraw/zinc/91/96/58/779919658.db2.gz QRGPKTWCWOZHTJ-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207306727 779920147 /nfs/dbraw/zinc/92/01/47/779920147.db2.gz NLNNAHCBBKDOPM-RKDXNWHRSA-N 1 1 306.388 -2.200 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207306727 779920151 /nfs/dbraw/zinc/92/01/51/779920151.db2.gz NLNNAHCBBKDOPM-RKDXNWHRSA-N 1 1 306.388 -2.200 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207298461 779920182 /nfs/dbraw/zinc/92/01/82/779920182.db2.gz OXFHGYYRBFBYBH-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207298461 779920184 /nfs/dbraw/zinc/92/01/84/779920184.db2.gz OXFHGYYRBFBYBH-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207284034 779920216 /nfs/dbraw/zinc/92/02/16/779920216.db2.gz MGIIBDASJNSWIP-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207284034 779920221 /nfs/dbraw/zinc/92/02/21/779920221.db2.gz MGIIBDASJNSWIP-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001207284262 779920257 /nfs/dbraw/zinc/92/02/57/779920257.db2.gz QDEMAWWACNILFO-OUAUKWLOSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1)c1nnnn1C ZINC001207268649 779920350 /nfs/dbraw/zinc/92/03/50/779920350.db2.gz XEBRXWYDWJKXFV-IUCAKERBSA-N 1 1 310.362 -1.480 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307064 779920494 /nfs/dbraw/zinc/92/04/94/779920494.db2.gz PEPVBHBECBSVEY-GHMZBOCLSA-N 1 1 307.416 -1.039 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1C ZINC001207384621 779921290 /nfs/dbraw/zinc/92/12/90/779921290.db2.gz RRYPWNLXCMHIND-GMTAPVOTSA-N 1 1 313.402 -1.171 20 0 DAADMO CS(=O)(=O)N1CCC(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001207447880 779921564 /nfs/dbraw/zinc/92/15/64/779921564.db2.gz IIQPAFLHXZZBFZ-LLVKDONJSA-N 1 1 305.400 -1.156 20 0 DAADMO CS(=O)(=O)N1CCC(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC001207447880 779921566 /nfs/dbraw/zinc/92/15/66/779921566.db2.gz IIQPAFLHXZZBFZ-LLVKDONJSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001207530157 779922233 /nfs/dbraw/zinc/92/22/33/779922233.db2.gz IBYKZSDDYRBSMN-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001207731308 779924706 /nfs/dbraw/zinc/92/47/06/779924706.db2.gz HTPSSCDRXMYRJU-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001207736107 779924998 /nfs/dbraw/zinc/92/49/98/779924998.db2.gz ASLZAVXFAHZNMX-MWLCHTKSSA-N 1 1 300.359 -2.333 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001207771033 779925980 /nfs/dbraw/zinc/92/59/80/779925980.db2.gz DHQJGHVBENYVMW-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001207771033 779925989 /nfs/dbraw/zinc/92/59/89/779925989.db2.gz DHQJGHVBENYVMW-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001207897973 779928641 /nfs/dbraw/zinc/92/86/41/779928641.db2.gz JAKQCCVGHIAILL-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001207901943 779929074 /nfs/dbraw/zinc/92/90/74/779929074.db2.gz GVQQMAHNCSEMFW-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001207901942 779929641 /nfs/dbraw/zinc/92/96/41/779929641.db2.gz GVQQMAHNCSEMFW-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001208041831 779931661 /nfs/dbraw/zinc/93/16/61/779931661.db2.gz MUUKJFNBGGWDNP-NXEZZACHSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001208081027 779932904 /nfs/dbraw/zinc/93/29/04/779932904.db2.gz BAKYPSAGJCAAJP-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073829 779932914 /nfs/dbraw/zinc/93/29/14/779932914.db2.gz JBGDUXDMMMFNLU-GMTAPVOTSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073829 779932918 /nfs/dbraw/zinc/93/29/18/779932918.db2.gz JBGDUXDMMMFNLU-GMTAPVOTSA-N 1 1 324.385 -1.718 20 0 DAADMO CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208138058 779933008 /nfs/dbraw/zinc/93/30/08/779933008.db2.gz IEKSNBFHOSLFSN-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208074099 779933870 /nfs/dbraw/zinc/93/38/70/779933870.db2.gz PFKBWDQKEKJNCD-GRYCIOLGSA-N 1 1 311.386 -1.211 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073686 779933904 /nfs/dbraw/zinc/93/39/04/779933904.db2.gz HMWZMDCOBXDEFE-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208073686 779933906 /nfs/dbraw/zinc/93/39/06/779933906.db2.gz HMWZMDCOBXDEFE-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001208284975 779935866 /nfs/dbraw/zinc/93/58/66/779935866.db2.gz DGVCKBYOWFBWIF-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001208279296 779936248 /nfs/dbraw/zinc/93/62/48/779936248.db2.gz MTQLDMANLYXEIJ-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001208283824 779936385 /nfs/dbraw/zinc/93/63/85/779936385.db2.gz DPVUFLQDSWFIDX-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208304152 779937163 /nfs/dbraw/zinc/93/71/63/779937163.db2.gz GQYODFPRFWXVCA-DJLDLDEBSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208304152 779937165 /nfs/dbraw/zinc/93/71/65/779937165.db2.gz GQYODFPRFWXVCA-DJLDLDEBSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208304153 779937402 /nfs/dbraw/zinc/93/74/02/779937402.db2.gz GQYODFPRFWXVCA-IWSPIJDZSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208304153 779937407 /nfs/dbraw/zinc/93/74/07/779937407.db2.gz GQYODFPRFWXVCA-IWSPIJDZSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001208298677 779937624 /nfs/dbraw/zinc/93/76/24/779937624.db2.gz XQGBRVKBLROMBU-IJLUTSLNSA-N 1 1 314.386 -1.545 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001208298312 779937668 /nfs/dbraw/zinc/93/76/68/779937668.db2.gz JKHUNVNKNLPIGK-IWSPIJDZSA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001208298312 779937674 /nfs/dbraw/zinc/93/76/74/779937674.db2.gz JKHUNVNKNLPIGK-IWSPIJDZSA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208445184 779939197 /nfs/dbraw/zinc/93/91/97/779939197.db2.gz VILFTDAFVZAJGX-YUSALJHKSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208445184 779939203 /nfs/dbraw/zinc/93/92/03/779939203.db2.gz VILFTDAFVZAJGX-YUSALJHKSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208445023 779939227 /nfs/dbraw/zinc/93/92/27/779939227.db2.gz OKDFDLZSISCWFR-GJMOJQLCSA-N 1 1 312.330 -2.701 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208445023 779939233 /nfs/dbraw/zinc/93/92/33/779939233.db2.gz OKDFDLZSISCWFR-GJMOJQLCSA-N 1 1 312.330 -2.701 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444719 779939361 /nfs/dbraw/zinc/93/93/61/779939361.db2.gz HLMSSFSUWHGXKM-OUAUKWLOSA-N 1 1 311.386 -1.370 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444719 779939362 /nfs/dbraw/zinc/93/93/62/779939362.db2.gz HLMSSFSUWHGXKM-OUAUKWLOSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208449884 779939402 /nfs/dbraw/zinc/93/94/02/779939402.db2.gz GWXWRNJEMVCPOU-RKDXNWHRSA-N 1 1 306.388 -2.200 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001208449884 779939407 /nfs/dbraw/zinc/93/94/07/779939407.db2.gz GWXWRNJEMVCPOU-RKDXNWHRSA-N 1 1 306.388 -2.200 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450368 779940751 /nfs/dbraw/zinc/94/07/51/779940751.db2.gz SMJPNVFJRPLLCF-MWLCHTKSSA-N 1 1 300.359 -1.939 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455237 779941028 /nfs/dbraw/zinc/94/10/28/779941028.db2.gz HIKVYHPOSYSFCZ-IJLUTSLNSA-N 1 1 301.387 -1.058 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455663 779941085 /nfs/dbraw/zinc/94/10/85/779941085.db2.gz ZFEIOIUILWCFRF-OPRDCNLKSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455663 779941087 /nfs/dbraw/zinc/94/10/87/779941087.db2.gz ZFEIOIUILWCFRF-OPRDCNLKSA-N 1 1 320.415 -1.635 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208902575 779943504 /nfs/dbraw/zinc/94/35/04/779943504.db2.gz WNIRJWKDKNDRCW-MRVPVSSYSA-N 1 1 309.330 -1.498 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001208897017 779944109 /nfs/dbraw/zinc/94/41/09/779944109.db2.gz HZZKPDPHUDZVCK-KXUCPTDWSA-N 1 1 320.415 -1.893 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001208897017 779944115 /nfs/dbraw/zinc/94/41/15/779944115.db2.gz HZZKPDPHUDZVCK-KXUCPTDWSA-N 1 1 320.415 -1.893 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001208913497 779944384 /nfs/dbraw/zinc/94/43/84/779944384.db2.gz NFCILJDUEPYXPC-PSASIEDQSA-N 1 1 308.342 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001208913497 779944388 /nfs/dbraw/zinc/94/43/88/779944388.db2.gz NFCILJDUEPYXPC-PSASIEDQSA-N 1 1 308.342 -1.416 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001208912669 779944490 /nfs/dbraw/zinc/94/44/90/779944490.db2.gz FKAWTMPBRCIJPT-WCABBAIRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001208912669 779944492 /nfs/dbraw/zinc/94/44/92/779944492.db2.gz FKAWTMPBRCIJPT-WCABBAIRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208985075 779945055 /nfs/dbraw/zinc/94/50/55/779945055.db2.gz MXLGRRFYLIONRI-NXEZZACHSA-N 1 1 310.395 -1.212 20 0 DAADMO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208985075 779945060 /nfs/dbraw/zinc/94/50/60/779945060.db2.gz MXLGRRFYLIONRI-NXEZZACHSA-N 1 1 310.395 -1.212 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001208976238 779945860 /nfs/dbraw/zinc/94/58/60/779945860.db2.gz GXZQICVCVKLGEL-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](CO)[C@@H](O)C2)O1 ZINC001209270362 779947007 /nfs/dbraw/zinc/94/70/07/779947007.db2.gz HYMFDDQNUBUXCD-RXGFPQBGSA-N 1 1 305.371 -1.465 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001209197186 779947149 /nfs/dbraw/zinc/94/71/49/779947149.db2.gz CBVZACDRXGLLAH-ADEWGFFLSA-N 1 1 314.386 -1.551 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCN(C3COC3)CC2)O1 ZINC001209268601 779947435 /nfs/dbraw/zinc/94/74/35/779947435.db2.gz OCPXBJIIQCISKH-HZSPNIEDSA-N 1 1 316.398 -1.124 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)O1 ZINC001209271047 779948044 /nfs/dbraw/zinc/94/80/44/779948044.db2.gz PHPKGOZNRUSAOW-OKWIKPQFSA-N 1 1 319.398 -1.075 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2CCNC2=O)C2CC2)n1 ZINC001276633111 779950520 /nfs/dbraw/zinc/95/05/20/779950520.db2.gz CLBKNRAXDSELHP-RYUDHWBXSA-N 1 1 306.370 -1.064 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209514723 779952023 /nfs/dbraw/zinc/95/20/23/779952023.db2.gz OIFPULKFRDYXJE-YUSALJHKSA-N 1 1 314.386 -1.815 20 0 DAADMO CN1CC(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)=NC1=O ZINC001209434192 779952046 /nfs/dbraw/zinc/95/20/46/779952046.db2.gz ULQUSMQOEWYODM-QMMMGPOBSA-N 1 1 324.341 -1.485 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)CC1 ZINC001209457322 779952326 /nfs/dbraw/zinc/95/23/26/779952326.db2.gz WMQHYNLNFFZKGE-VXGBXAGGSA-N 1 1 313.398 -1.042 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001209457150 779953246 /nfs/dbraw/zinc/95/32/46/779953246.db2.gz TXPNZBXBFNKMLY-IJLUTSLNSA-N 1 1 313.398 -1.044 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001209542852 779954219 /nfs/dbraw/zinc/95/42/19/779954219.db2.gz DEQOAYARXMRTJN-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209824425 779955703 /nfs/dbraw/zinc/95/57/03/779955703.db2.gz YELOSELXZUSADH-KGYLQXTDSA-N 1 1 313.398 -1.044 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722198 779956553 /nfs/dbraw/zinc/95/65/53/779956553.db2.gz DJRFEEKUYWVHJT-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722123 779956577 /nfs/dbraw/zinc/95/65/77/779956577.db2.gz CDNODFWJXYRWEX-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209723305 779956731 /nfs/dbraw/zinc/95/67/31/779956731.db2.gz RLIAKQGOYXWUKW-IJLUTSLNSA-N 1 1 312.374 -1.493 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722118 779956852 /nfs/dbraw/zinc/95/68/52/779956852.db2.gz CDNODFWJXYRWEX-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)COCc1nncn1C ZINC001209920447 779957714 /nfs/dbraw/zinc/95/77/14/779957714.db2.gz JNFUMYVYTYRNNX-NXEZZACHSA-N 1 1 310.358 -1.747 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)COCc1nncn1C ZINC001209920447 779957718 /nfs/dbraw/zinc/95/77/18/779957718.db2.gz JNFUMYVYTYRNNX-NXEZZACHSA-N 1 1 310.358 -1.747 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209929353 779958647 /nfs/dbraw/zinc/95/86/47/779958647.db2.gz RNLWGHPKKOWAKC-GMTAPVOTSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001209929353 779958652 /nfs/dbraw/zinc/95/86/52/779958652.db2.gz RNLWGHPKKOWAKC-GMTAPVOTSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001210700988 779963062 /nfs/dbraw/zinc/96/30/62/779963062.db2.gz ZJYAXQMYCSHMPR-GMTAPVOTSA-N 1 1 307.416 -1.305 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210848929 779964564 /nfs/dbraw/zinc/96/45/64/779964564.db2.gz YQNSTDYUEDUVOB-OPRDCNLKSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210848929 779964573 /nfs/dbraw/zinc/96/45/73/779964573.db2.gz YQNSTDYUEDUVOB-OPRDCNLKSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210891353 779964824 /nfs/dbraw/zinc/96/48/24/779964824.db2.gz RTSRAFMOXDIQAY-HTQZYQBOSA-N 1 1 314.346 -2.324 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210891353 779964826 /nfs/dbraw/zinc/96/48/26/779964826.db2.gz RTSRAFMOXDIQAY-HTQZYQBOSA-N 1 1 314.346 -2.324 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210897917 779965417 /nfs/dbraw/zinc/96/54/17/779965417.db2.gz JJTNPEUYHNMLBN-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 ZINC001211001548 779966310 /nfs/dbraw/zinc/96/63/10/779966310.db2.gz MQTBQPCGMDFAGM-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000333 779967032 /nfs/dbraw/zinc/96/70/32/779967032.db2.gz AQGWJRNVHXUUMV-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211083916 779968427 /nfs/dbraw/zinc/96/84/27/779968427.db2.gz NNGWABFWRICYHO-KXUCPTDWSA-N 1 1 320.415 -1.893 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211083916 779968433 /nfs/dbraw/zinc/96/84/33/779968433.db2.gz NNGWABFWRICYHO-KXUCPTDWSA-N 1 1 320.415 -1.893 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC)c1cnn(C)c1 ZINC001213228807 779971267 /nfs/dbraw/zinc/97/12/67/779971267.db2.gz XRQQQWKHKINMEW-UPJWGTAASA-N 1 1 312.370 -1.085 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC)c1cnn(C)c1 ZINC001213228807 779971275 /nfs/dbraw/zinc/97/12/75/779971275.db2.gz XRQQQWKHKINMEW-UPJWGTAASA-N 1 1 312.370 -1.085 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213223880 779971446 /nfs/dbraw/zinc/97/14/46/779971446.db2.gz DCNWXIIHIZORIK-OPRDCNLKSA-N 1 1 324.403 -2.764 20 0 DAADMO COC[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)CCOC1 ZINC001213226249 779971804 /nfs/dbraw/zinc/97/18/04/779971804.db2.gz HTXZQMGGDQDNNC-BZPMIXESSA-N 1 1 302.371 -1.153 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001213253948 779971830 /nfs/dbraw/zinc/97/18/30/779971830.db2.gz HEZHSIXUIJRLGK-IJLUTSLNSA-N 1 1 315.370 -2.053 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](OC)C1 ZINC001213250464 779972278 /nfs/dbraw/zinc/97/22/78/779972278.db2.gz BNXCRRWLBSFMOG-GMTAPVOTSA-N 1 1 313.358 -1.451 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](OC)C1 ZINC001213219149 779972406 /nfs/dbraw/zinc/97/24/06/779972406.db2.gz CTDZATBOHRSLFF-NXEZZACHSA-N 1 1 308.404 -1.734 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001213344451 779972995 /nfs/dbraw/zinc/97/29/95/779972995.db2.gz RLIFCCUXCLIJNA-HBNTYKKESA-N 1 1 316.358 -2.508 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)COc1cnn(C)c1 ZINC001213338117 779973182 /nfs/dbraw/zinc/97/31/82/779973182.db2.gz SLCALLZVBOIRGR-CYZMBNFOSA-N 1 1 312.370 -1.005 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)COc1cnn(C)c1 ZINC001213338203 779973706 /nfs/dbraw/zinc/97/37/06/779973706.db2.gz XMDIVQHAXSAZRL-CHWSQXEVSA-N 1 1 312.370 -1.003 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001213327488 779973930 /nfs/dbraw/zinc/97/39/30/779973930.db2.gz KLKGFYUWISDXDH-BZPMIXESSA-N 1 1 320.361 -1.061 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(F)CCOC1 ZINC001213327488 779973933 /nfs/dbraw/zinc/97/39/33/779973933.db2.gz KLKGFYUWISDXDH-BZPMIXESSA-N 1 1 320.361 -1.061 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001276700562 779974060 /nfs/dbraw/zinc/97/40/60/779974060.db2.gz MJRGNYYOLBMVNO-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](OC)C1 ZINC001213366718 779975030 /nfs/dbraw/zinc/97/50/30/779975030.db2.gz DXJSCDXNPXKJLF-HBNTYKKESA-N 1 1 315.370 -1.925 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001213358774 779975522 /nfs/dbraw/zinc/97/55/22/779975522.db2.gz RYMMUTVBJSRZPK-NXEZZACHSA-N 1 1 309.388 -2.137 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C(N)=O ZINC001213353160 779975859 /nfs/dbraw/zinc/97/58/59/779975859.db2.gz STBWISPVXFHMRA-QJPTWQEYSA-N 1 1 317.386 -1.679 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)C(N)=O ZINC001213353160 779975865 /nfs/dbraw/zinc/97/58/65/779975865.db2.gz STBWISPVXFHMRA-QJPTWQEYSA-N 1 1 317.386 -1.679 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccnnc1 ZINC001213482978 779976476 /nfs/dbraw/zinc/97/64/76/779976476.db2.gz JXOAMFSJTBPANA-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccnnc1 ZINC001213482978 779976482 /nfs/dbraw/zinc/97/64/82/779976482.db2.gz JXOAMFSJTBPANA-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001213454305 779977238 /nfs/dbraw/zinc/97/72/38/779977238.db2.gz VYCXZAWVHZMOIC-CYZMBNFOSA-N 1 1 311.386 -1.056 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001213547383 779978997 /nfs/dbraw/zinc/97/89/97/779978997.db2.gz RPNKVDIGWQXDFN-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001213547383 779979001 /nfs/dbraw/zinc/97/90/01/779979001.db2.gz RPNKVDIGWQXDFN-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001213566890 779979215 /nfs/dbraw/zinc/97/92/15/779979215.db2.gz FRAVVVRIGOKPAA-VXGBXAGGSA-N 1 1 313.358 -1.747 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001213566890 779979220 /nfs/dbraw/zinc/97/92/20/779979220.db2.gz FRAVVVRIGOKPAA-VXGBXAGGSA-N 1 1 313.358 -1.747 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O ZINC001213491671 779979505 /nfs/dbraw/zinc/97/95/05/779979505.db2.gz UWIMLGGDOVVOCE-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 ZINC001213597124 779980279 /nfs/dbraw/zinc/98/02/79/779980279.db2.gz VRNIXFMUCAWVAK-FBIMIBRVSA-N 1 1 300.315 -1.494 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 ZINC001213597124 779980284 /nfs/dbraw/zinc/98/02/84/779980284.db2.gz VRNIXFMUCAWVAK-FBIMIBRVSA-N 1 1 300.315 -1.494 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581458 779980576 /nfs/dbraw/zinc/98/05/76/779980576.db2.gz YACUKMRSFLDQBJ-IJLUTSLNSA-N 1 1 314.386 -1.408 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213618521 779981658 /nfs/dbraw/zinc/98/16/58/779981658.db2.gz ZJEQOCBDIRNKGY-IJLUTSLNSA-N 1 1 312.374 -1.087 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001213664946 779983046 /nfs/dbraw/zinc/98/30/46/779983046.db2.gz BAGMQEMYTPGJDC-YVECIDJPSA-N 1 1 302.371 -1.154 20 0 DAADMO CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730853 779983361 /nfs/dbraw/zinc/98/33/61/779983361.db2.gz ZMOOZPWIJYDBSZ-YNEHKIRRSA-N 1 1 303.403 -1.239 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001213920056 779986995 /nfs/dbraw/zinc/98/69/95/779986995.db2.gz OWYHMHFBFNJGST-NXEZZACHSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213920056 779987000 /nfs/dbraw/zinc/98/70/00/779987000.db2.gz OWYHMHFBFNJGST-NXEZZACHSA-N 1 1 302.375 -1.498 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213872213 779987330 /nfs/dbraw/zinc/98/73/30/779987330.db2.gz XQHJHVFCFYLSFV-QJPTWQEYSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 ZINC001213981276 779988170 /nfs/dbraw/zinc/98/81/70/779988170.db2.gz BWBDHKWRHRCTJA-HBNTYKKESA-N 1 1 314.342 -1.186 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 ZINC001213981276 779988176 /nfs/dbraw/zinc/98/81/76/779988176.db2.gz BWBDHKWRHRCTJA-HBNTYKKESA-N 1 1 314.342 -1.186 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC[C@H]1CCCO1 ZINC001213993631 779988360 /nfs/dbraw/zinc/98/83/60/779988360.db2.gz XUDFAYKUOLXSDX-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001276707478 779988600 /nfs/dbraw/zinc/98/86/00/779988600.db2.gz HCGJUARMCYASNO-XWLWVQCSSA-N 1 1 308.382 -1.320 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 ZINC001213983774 779988831 /nfs/dbraw/zinc/98/88/31/779988831.db2.gz YBVGTFVDPKOFAH-QJPTWQEYSA-N 1 1 317.386 -1.535 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001214120493 779990728 /nfs/dbraw/zinc/99/07/28/779990728.db2.gz GAMULKJMIFWTKF-PSASIEDQSA-N 1 1 322.373 -1.387 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)c1nncn1C ZINC001214121565 779991992 /nfs/dbraw/zinc/99/19/92/779991992.db2.gz IGTOMHCEHLBVIN-OPRDCNLKSA-N 1 1 309.374 -1.019 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001214229164 779992556 /nfs/dbraw/zinc/99/25/56/779992556.db2.gz XGEYHJQIPWMSKW-GMSGAONNSA-N 1 1 308.342 -1.037 20 0 DAADMO C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214411035 779993427 /nfs/dbraw/zinc/99/34/27/779993427.db2.gz AULAGJQEYMRHRX-RKDXNWHRSA-N 1 1 323.357 -1.631 20 0 DAADMO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)nn1 ZINC001276710535 779993458 /nfs/dbraw/zinc/99/34/58/779993458.db2.gz XRFBJAOCIOCLIU-RTCCRHLQSA-N 1 1 305.338 -1.236 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214377731 779993843 /nfs/dbraw/zinc/99/38/43/779993843.db2.gz ITOGFZLISAROTP-PSASIEDQSA-N 1 1 308.342 -1.416 20 0 DAADMO C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214811833 780000852 /nfs/dbraw/zinc/00/08/52/780000852.db2.gz IZVCYSRNZLDGAZ-MWLCHTKSSA-N 1 1 322.369 -1.026 20 0 DAADMO COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215495505 780008779 /nfs/dbraw/zinc/00/87/79/780008779.db2.gz BZXRKBNLMWOQOH-GMTAPVOTSA-N 1 1 312.374 -1.192 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001215911946 780011414 /nfs/dbraw/zinc/01/14/14/780011414.db2.gz XJSKMNQIZQKTRW-NXEZZACHSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001276736966 780012262 /nfs/dbraw/zinc/01/22/62/780012262.db2.gz GGBWLOGUERMWEY-KKOKHZNYSA-N 1 1 309.366 -1.190 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)c1nnnn1C ZINC001216722934 780015234 /nfs/dbraw/zinc/01/52/34/780015234.db2.gz JKYKESOUVYXJMB-OPRDCNLKSA-N 1 1 324.389 -1.234 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001217212419 780018479 /nfs/dbraw/zinc/01/84/79/780018479.db2.gz OQZUURKVOUMZSH-FRRDWIJNSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001276750892 780018613 /nfs/dbraw/zinc/01/86/13/780018613.db2.gz RMSXZOCAIYTROF-FIQHERPVSA-N 1 1 309.366 -1.020 20 0 DAADMO COCCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217180398 780018830 /nfs/dbraw/zinc/01/88/30/780018830.db2.gz MPTMAFLLCUXPDX-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217180398 780018838 /nfs/dbraw/zinc/01/88/38/780018838.db2.gz MPTMAFLLCUXPDX-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217316207 780019875 /nfs/dbraw/zinc/01/98/75/780019875.db2.gz KZJZCIFPPGZFPA-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217316207 780019881 /nfs/dbraw/zinc/01/98/81/780019881.db2.gz KZJZCIFPPGZFPA-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217316207 780019893 /nfs/dbraw/zinc/01/98/93/780019893.db2.gz KZJZCIFPPGZFPA-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217316207 780019906 /nfs/dbraw/zinc/01/99/06/780019906.db2.gz KZJZCIFPPGZFPA-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1)OC ZINC001217275152 780020056 /nfs/dbraw/zinc/02/00/56/780020056.db2.gz AAQXZDIYKYQVAQ-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001217270880 780020123 /nfs/dbraw/zinc/02/01/23/780020123.db2.gz WDVXSJMVCIGPGS-GRYCIOLGSA-N 1 1 312.370 -1.397 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217242250 780020671 /nfs/dbraw/zinc/02/06/71/780020671.db2.gz LZSDCZNWRBYHEY-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217242250 780020681 /nfs/dbraw/zinc/02/06/81/780020681.db2.gz LZSDCZNWRBYHEY-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217276465 780021080 /nfs/dbraw/zinc/02/10/80/780021080.db2.gz VKGIZSQBDASXHM-GARJFASQSA-N 1 1 316.358 -2.426 20 0 DAADMO O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217420781 780022784 /nfs/dbraw/zinc/02/27/84/780022784.db2.gz POUABZRLJGYFJD-HZSPNIEDSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C([C@@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217420781 780022791 /nfs/dbraw/zinc/02/27/91/780022791.db2.gz POUABZRLJGYFJD-HZSPNIEDSA-N 1 1 314.382 -1.057 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)C3CC3)[C@H]2C1 ZINC001217388096 780022990 /nfs/dbraw/zinc/02/29/90/780022990.db2.gz PWAKNMHWKAMRHC-WCFLWFBJSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C)[C@H]2C1 ZINC001217434641 780023089 /nfs/dbraw/zinc/02/30/89/780023089.db2.gz GDKYLBPPMPJUGW-FPMFFAJLSA-N 1 1 324.381 -1.047 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217349241 780023238 /nfs/dbraw/zinc/02/32/38/780023238.db2.gz JXTBHHNXVRSAIV-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217349241 780023244 /nfs/dbraw/zinc/02/32/44/780023244.db2.gz JXTBHHNXVRSAIV-QWHCGFSZSA-N 1 1 310.354 -1.056 20 0 DAADMO CO[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217409222 780023493 /nfs/dbraw/zinc/02/34/93/780023493.db2.gz WHCTYXUHVGZVNA-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO CO[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217409222 780023501 /nfs/dbraw/zinc/02/35/01/780023501.db2.gz WHCTYXUHVGZVNA-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)cn3)[C@H]2C1 ZINC001217630793 780024337 /nfs/dbraw/zinc/02/43/37/780024337.db2.gz HDCIAGZUDSBMDN-KWCYVHTRSA-N 1 1 324.381 -1.047 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001217720504 780024396 /nfs/dbraw/zinc/02/43/96/780024396.db2.gz PVBGQPJUQNVGDK-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217720699 780024871 /nfs/dbraw/zinc/02/48/71/780024871.db2.gz SMUGXWSIQBKEFE-GARJFASQSA-N 1 1 310.354 -2.077 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217720699 780024879 /nfs/dbraw/zinc/02/48/79/780024879.db2.gz SMUGXWSIQBKEFE-GARJFASQSA-N 1 1 310.354 -2.077 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]21 ZINC001217720404 780024935 /nfs/dbraw/zinc/02/49/35/780024935.db2.gz OBGKCDKMEHFZCQ-SDDRHHMPSA-N 1 1 315.370 -1.959 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217560782 780025261 /nfs/dbraw/zinc/02/52/61/780025261.db2.gz NOEOZFZFAAZWCX-WDEREUQCSA-N 1 1 301.343 -2.218 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217560782 780025264 /nfs/dbraw/zinc/02/52/64/780025264.db2.gz NOEOZFZFAAZWCX-WDEREUQCSA-N 1 1 301.343 -2.218 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001217712486 780025530 /nfs/dbraw/zinc/02/55/30/780025530.db2.gz ASORDCCVBKJRMZ-SDDRHHMPSA-N 1 1 324.381 -1.735 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217888168 780027045 /nfs/dbraw/zinc/02/70/45/780027045.db2.gz XZAWPGOUQVAHRH-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]n3)[C@H]2C1 ZINC001218225467 780028423 /nfs/dbraw/zinc/02/84/23/780028423.db2.gz HOHMNQMDZIAPJN-ADEWGFFLSA-N 1 1 311.342 -1.663 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]n3)[C@H]2C1 ZINC001218225467 780028433 /nfs/dbraw/zinc/02/84/33/780028433.db2.gz HOHMNQMDZIAPJN-ADEWGFFLSA-N 1 1 311.342 -1.663 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218220145 780029426 /nfs/dbraw/zinc/02/94/26/780029426.db2.gz QGIHGCZLKUVKTJ-VHSXEESVSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218220145 780029434 /nfs/dbraw/zinc/02/94/34/780029434.db2.gz QGIHGCZLKUVKTJ-VHSXEESVSA-N 1 1 321.324 -1.338 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001218463173 780030280 /nfs/dbraw/zinc/03/02/80/780030280.db2.gz UKRHILYIJSJUHQ-SDDRHHMPSA-N 1 1 324.385 -1.104 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001218463163 780030448 /nfs/dbraw/zinc/03/04/48/780030448.db2.gz UKRHILYIJSJUHQ-GRYCIOLGSA-N 1 1 324.385 -1.104 20 0 DAADMO CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001218448415 780031837 /nfs/dbraw/zinc/03/18/37/780031837.db2.gz PGEHWNGUKISEJW-WDEREUQCSA-N 1 1 310.358 -1.228 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001218448415 780031847 /nfs/dbraw/zinc/03/18/47/780031847.db2.gz PGEHWNGUKISEJW-WDEREUQCSA-N 1 1 310.358 -1.228 20 0 DAADMO CCOC(=O)c1c[nH]c(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001218527282 780032452 /nfs/dbraw/zinc/03/24/52/780032452.db2.gz HIQSBKMXUBSLQU-VIFPVBQESA-N 1 1 309.326 -1.145 20 0 DAADMO CCOC(=O)c1nc[nH]c1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218559290 780032999 /nfs/dbraw/zinc/03/29/99/780032999.db2.gz KXSWNXLZMGYTCV-MRVPVSSYSA-N 1 1 309.326 -1.145 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1[nH]nc2nccnc21 ZINC001218568112 780033381 /nfs/dbraw/zinc/03/33/81/780033381.db2.gz MPDYWCDIDSKYAJ-SECBINFHSA-N 1 1 304.358 -1.007 20 0 DAADMO COC(=O)c1cncc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)n1 ZINC001218580070 780034763 /nfs/dbraw/zinc/03/47/63/780034763.db2.gz SXXQVJPPFAQKJK-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO N=c1c(N)cnc(Cl)n1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218624955 780037049 /nfs/dbraw/zinc/03/70/49/780037049.db2.gz QGYRDQJVFONTSP-VIFPVBQESA-N 1 1 313.793 -1.011 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218696434 780038524 /nfs/dbraw/zinc/03/85/24/780038524.db2.gz BPPBGVQYQKPIHL-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218696434 780038532 /nfs/dbraw/zinc/03/85/32/780038532.db2.gz BPPBGVQYQKPIHL-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO CC(=O)OC[C@H]([NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750911 780041222 /nfs/dbraw/zinc/04/12/22/780041222.db2.gz NFDYTSYOGVDYFK-VIFPVBQESA-N 1 1 302.312 -1.442 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(N(C)C)[nH]n1 ZINC001218743312 780041300 /nfs/dbraw/zinc/04/13/00/780041300.db2.gz PUBNDIMNUPPTSW-BQBZGAKWSA-N 1 1 311.346 -1.878 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnon3)[C@H]2C1 ZINC001218810040 780042510 /nfs/dbraw/zinc/04/25/10/780042510.db2.gz RMQHHEFJTMKATQ-ZMLRMANQSA-N 1 1 312.326 -1.398 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnon3)[C@H]2C1 ZINC001218810040 780042518 /nfs/dbraw/zinc/04/25/18/780042518.db2.gz RMQHHEFJTMKATQ-ZMLRMANQSA-N 1 1 312.326 -1.398 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 ZINC001218911440 780042583 /nfs/dbraw/zinc/04/25/83/780042583.db2.gz FGPVMPYZWWGZDF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)OC[C@H]([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218915352 780042963 /nfs/dbraw/zinc/04/29/63/780042963.db2.gz OAQPJBUJXLYBCM-VIFPVBQESA-N 1 1 316.339 -1.255 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218838702 780043426 /nfs/dbraw/zinc/04/34/26/780043426.db2.gz JADSITSNLZKHAS-QWHCGFSZSA-N 1 1 324.381 -1.127 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218838702 780043437 /nfs/dbraw/zinc/04/34/37/780043437.db2.gz JADSITSNLZKHAS-QWHCGFSZSA-N 1 1 324.381 -1.127 20 0 DAADMO O=C(CNC(=O)C1CCC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219050905 780045135 /nfs/dbraw/zinc/04/51/35/780045135.db2.gz SQCAHQORTKHFSD-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(CNC(=O)C1CCC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219050905 780045146 /nfs/dbraw/zinc/04/51/46/780045146.db2.gz SQCAHQORTKHFSD-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)n1 ZINC001219032115 780045218 /nfs/dbraw/zinc/04/52/18/780045218.db2.gz QIXWWTIIPKRBFQ-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)n1 ZINC001219032115 780045221 /nfs/dbraw/zinc/04/52/21/780045221.db2.gz QIXWWTIIPKRBFQ-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219025030 780045475 /nfs/dbraw/zinc/04/54/75/780045475.db2.gz RKKJXCZWBUWBIH-GRYCIOLGSA-N 1 1 314.386 -1.009 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219025031 780046095 /nfs/dbraw/zinc/04/60/95/780046095.db2.gz RKKJXCZWBUWBIH-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219039434 780046118 /nfs/dbraw/zinc/04/61/18/780046118.db2.gz IJQODYIZBQSGOI-VHSXEESVSA-N 1 1 307.372 -2.561 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219039434 780046120 /nfs/dbraw/zinc/04/61/20/780046120.db2.gz IJQODYIZBQSGOI-VHSXEESVSA-N 1 1 307.372 -2.561 20 0 DAADMO CCNC(=O)CN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219031993 780046221 /nfs/dbraw/zinc/04/62/21/780046221.db2.gz LXYCCAXYOXNKFU-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO COCCOCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001219065506 780046265 /nfs/dbraw/zinc/04/62/65/780046265.db2.gz GYXCRLQUCCLAFG-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCCOCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001219065506 780046269 /nfs/dbraw/zinc/04/62/69/780046269.db2.gz GYXCRLQUCCLAFG-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001219089438 780048826 /nfs/dbraw/zinc/04/88/26/780048826.db2.gz FYFJYQZRLSBUDD-MJBXVCDLSA-N 1 1 316.398 -1.028 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001219086083 780048884 /nfs/dbraw/zinc/04/88/84/780048884.db2.gz NHLFHHXIPRKOKJ-UPJWGTAASA-N 1 1 304.387 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCOCC1 ZINC001219088061 780049684 /nfs/dbraw/zinc/04/96/84/780049684.db2.gz WWPQXVBKYWUWGU-OLZOCXBDSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCOCC1 ZINC001219088061 780049691 /nfs/dbraw/zinc/04/96/91/780049691.db2.gz WWPQXVBKYWUWGU-OLZOCXBDSA-N 1 1 302.371 -1.417 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001219109984 780052346 /nfs/dbraw/zinc/05/23/46/780052346.db2.gz AQEFAIAGTFFCSA-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001219109984 780052352 /nfs/dbraw/zinc/05/23/52/780052352.db2.gz AQEFAIAGTFFCSA-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219111965 780052594 /nfs/dbraw/zinc/05/25/94/780052594.db2.gz NALNWQKGHVJMQS-VWYCJHECSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219111965 780052602 /nfs/dbraw/zinc/05/26/02/780052602.db2.gz NALNWQKGHVJMQS-VWYCJHECSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219110397 780052886 /nfs/dbraw/zinc/05/28/86/780052886.db2.gz NAWRNHDHKXFXLB-ZJUUUORDSA-N 1 1 309.313 -1.435 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219110397 780052895 /nfs/dbraw/zinc/05/28/95/780052895.db2.gz NAWRNHDHKXFXLB-ZJUUUORDSA-N 1 1 309.313 -1.435 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219108552 780053171 /nfs/dbraw/zinc/05/31/71/780053171.db2.gz RGHLRCRQMCAHAN-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001219134529 780054618 /nfs/dbraw/zinc/05/46/18/780054618.db2.gz JYQVVGXZNDWFOH-NEPJUHHUSA-N 1 1 316.354 -1.301 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001219134529 780054624 /nfs/dbraw/zinc/05/46/24/780054624.db2.gz JYQVVGXZNDWFOH-NEPJUHHUSA-N 1 1 316.354 -1.301 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219111995 780054934 /nfs/dbraw/zinc/05/49/34/780054934.db2.gz OGLSQGCEJSZBKW-WOPDTQHZSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219111995 780054938 /nfs/dbraw/zinc/05/49/38/780054938.db2.gz OGLSQGCEJSZBKW-WOPDTQHZSA-N 1 1 314.386 -1.672 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001219134946 780055037 /nfs/dbraw/zinc/05/50/37/780055037.db2.gz VJXLIORLDSHCQG-AXFHLTTASA-N 1 1 302.327 -1.957 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001219135017 780055052 /nfs/dbraw/zinc/05/50/52/780055052.db2.gz YTNZGXZBNHCXFG-UPJWGTAASA-N 1 1 311.338 -1.898 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219145441 780056052 /nfs/dbraw/zinc/05/60/52/780056052.db2.gz PNVSYSOHUWVSJC-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219145441 780056058 /nfs/dbraw/zinc/05/60/58/780056058.db2.gz PNVSYSOHUWVSJC-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001219144919 780056751 /nfs/dbraw/zinc/05/67/51/780056751.db2.gz ALJWSBIEFJASNE-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219158547 780058820 /nfs/dbraw/zinc/05/88/20/780058820.db2.gz GLSSCMBYPCZVQY-UTUOFQBUSA-N 1 1 315.370 -2.223 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163203 780059133 /nfs/dbraw/zinc/05/91/33/780059133.db2.gz JUFOGFCFCQGARV-UTLUCORTSA-N 1 1 315.374 -2.140 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163203 780059143 /nfs/dbraw/zinc/05/91/43/780059143.db2.gz JUFOGFCFCQGARV-UTLUCORTSA-N 1 1 315.374 -2.140 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158654 780059417 /nfs/dbraw/zinc/05/94/17/780059417.db2.gz LJLAJKSFPXIMCV-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219158904 780059793 /nfs/dbraw/zinc/05/97/93/780059793.db2.gz UQMVJJQDIUHORY-BDAKNGLRSA-N 1 1 320.300 -1.884 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219158904 780059796 /nfs/dbraw/zinc/05/97/96/780059796.db2.gz UQMVJJQDIUHORY-BDAKNGLRSA-N 1 1 320.300 -1.884 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219158916 780060172 /nfs/dbraw/zinc/06/01/72/780060172.db2.gz UVFVMLWHGBIULH-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158983 780060300 /nfs/dbraw/zinc/06/03/00/780060300.db2.gz YAGBFWFROPNUIO-NEPJUHHUSA-N 1 1 312.374 -1.493 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158983 780060306 /nfs/dbraw/zinc/06/03/06/780060306.db2.gz YAGBFWFROPNUIO-NEPJUHHUSA-N 1 1 312.374 -1.493 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158581 780060324 /nfs/dbraw/zinc/06/03/24/780060324.db2.gz IFAHNMZOYVHEOO-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C1CCC1 ZINC001219168587 780061009 /nfs/dbraw/zinc/06/10/09/780061009.db2.gz HKOSXLDFFCMHOL-GRYCIOLGSA-N 1 1 314.386 -1.369 20 0 DAADMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1 ZINC001219168746 780061132 /nfs/dbraw/zinc/06/11/32/780061132.db2.gz LTVRSATYVQCAOL-MXWKQRLJSA-N 1 1 314.386 -1.369 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167399 780061308 /nfs/dbraw/zinc/06/13/08/780061308.db2.gz VVNOYLAWSCEADM-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167399 780061317 /nfs/dbraw/zinc/06/13/17/780061317.db2.gz VVNOYLAWSCEADM-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001219168628 780062098 /nfs/dbraw/zinc/06/20/98/780062098.db2.gz JQGVVSLAXBVYAF-AXFHLTTASA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219168579 780062145 /nfs/dbraw/zinc/06/21/45/780062145.db2.gz GYPOAJVZCZDQSJ-AXFHLTTASA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219168893 780062710 /nfs/dbraw/zinc/06/27/10/780062710.db2.gz QLDASPMAQLDNDL-HRDYMLBCSA-N 1 1 322.312 -1.760 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219168893 780062719 /nfs/dbraw/zinc/06/27/19/780062719.db2.gz QLDASPMAQLDNDL-HRDYMLBCSA-N 1 1 322.312 -1.760 20 0 DAADMO CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219169071 780063087 /nfs/dbraw/zinc/06/30/87/780063087.db2.gz VDQDHVVAUXISQR-GRYCIOLGSA-N 1 1 314.386 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001219168837 780063113 /nfs/dbraw/zinc/06/31/13/780063113.db2.gz OANTUXGUUGKZIM-UTUOFQBUSA-N 1 1 314.386 -1.367 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219177775 780063243 /nfs/dbraw/zinc/06/32/43/780063243.db2.gz VYPVWTXBUMMMPP-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001219177775 780063249 /nfs/dbraw/zinc/06/32/49/780063249.db2.gz VYPVWTXBUMMMPP-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169102 780063391 /nfs/dbraw/zinc/06/33/91/780063391.db2.gz WGJADWZKGFGVBL-BBBLOLIVSA-N 1 1 313.358 -2.563 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169102 780063399 /nfs/dbraw/zinc/06/33/99/780063399.db2.gz WGJADWZKGFGVBL-BBBLOLIVSA-N 1 1 313.358 -2.563 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001219187907 780065020 /nfs/dbraw/zinc/06/50/20/780065020.db2.gz OCUORPNWFVORHR-XQQFMLRXSA-N 1 1 304.387 -1.172 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001219187840 780065225 /nfs/dbraw/zinc/06/52/25/780065225.db2.gz LFLHMGJBNCWTTR-OLZOCXBDSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219207102 780066519 /nfs/dbraw/zinc/06/65/19/780066519.db2.gz XLZUZJNWZHFCPT-XQQFMLRXSA-N 1 1 311.386 -1.010 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219221817 780068334 /nfs/dbraw/zinc/06/83/34/780068334.db2.gz IKAGZKFRNDPOCH-NEPJUHHUSA-N 1 1 303.359 -2.365 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219221817 780068339 /nfs/dbraw/zinc/06/83/39/780068339.db2.gz IKAGZKFRNDPOCH-NEPJUHHUSA-N 1 1 303.359 -2.365 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219221984 780068495 /nfs/dbraw/zinc/06/84/95/780068495.db2.gz QBJIIDINCAXSEF-KGLIPLIRSA-N 1 1 323.397 -1.398 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1COCCO1 ZINC001219223026 780069280 /nfs/dbraw/zinc/06/92/80/780069280.db2.gz AYKSMIDRYYFGSM-OUAUKWLOSA-N 1 1 324.324 -1.155 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1COCCO1 ZINC001219223026 780069290 /nfs/dbraw/zinc/06/92/90/780069290.db2.gz AYKSMIDRYYFGSM-OUAUKWLOSA-N 1 1 324.324 -1.155 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219223388 780070115 /nfs/dbraw/zinc/07/01/15/780070115.db2.gz IBTUPBIIWFPFMA-RTXFEEFZSA-N 1 1 301.387 -1.213 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219242580 780071427 /nfs/dbraw/zinc/07/14/27/780071427.db2.gz NJVOGWIWQYZDPT-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219242580 780071434 /nfs/dbraw/zinc/07/14/34/780071434.db2.gz NJVOGWIWQYZDPT-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219248036 780071527 /nfs/dbraw/zinc/07/15/27/780071527.db2.gz HHEHBJBGQPCVMD-SFGNSQDASA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219248036 780071535 /nfs/dbraw/zinc/07/15/35/780071535.db2.gz HHEHBJBGQPCVMD-SFGNSQDASA-N 1 1 302.356 -1.680 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219248510 780071597 /nfs/dbraw/zinc/07/15/97/780071597.db2.gz XIBCDIPKRSGPLN-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219255279 780072058 /nfs/dbraw/zinc/07/20/58/780072058.db2.gz QOOFZGCTLWBFBI-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219255279 780072065 /nfs/dbraw/zinc/07/20/65/780072065.db2.gz QOOFZGCTLWBFBI-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001219269453 780073952 /nfs/dbraw/zinc/07/39/52/780073952.db2.gz IYXHKLABZZQFHM-LOWVWBTDSA-N 1 1 312.370 -1.489 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219272827 780074660 /nfs/dbraw/zinc/07/46/60/780074660.db2.gz XFOPBJBBQVUFBJ-AXFHLTTASA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219272827 780074670 /nfs/dbraw/zinc/07/46/70/780074670.db2.gz XFOPBJBBQVUFBJ-AXFHLTTASA-N 1 1 313.354 -1.668 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219270549 780075036 /nfs/dbraw/zinc/07/50/36/780075036.db2.gz CVCPHYFNEZOFMZ-AEJSXWLSSA-N 1 1 305.331 -2.489 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219270550 780075588 /nfs/dbraw/zinc/07/55/88/780075588.db2.gz CVCPHYFNEZOFMZ-BBBLOLIVSA-N 1 1 305.331 -2.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357613 780083122 /nfs/dbraw/zinc/08/31/22/780083122.db2.gz CTVSFNOCTYIOPV-ZDCRXTMVSA-N 1 1 301.343 -2.566 20 0 DAADMO COCCOCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219358095 780084442 /nfs/dbraw/zinc/08/44/42/780084442.db2.gz WZYWFRJOYOSOAS-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219358069 780084858 /nfs/dbraw/zinc/08/48/58/780084858.db2.gz VPWLKZKKJXNRLL-UPJWGTAASA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219358069 780084869 /nfs/dbraw/zinc/08/48/69/780084869.db2.gz VPWLKZKKJXNRLL-UPJWGTAASA-N 1 1 311.382 -1.147 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219375888 780085531 /nfs/dbraw/zinc/08/55/31/780085531.db2.gz FMVQXGDASGDTCM-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219375888 780085538 /nfs/dbraw/zinc/08/55/38/780085538.db2.gz FMVQXGDASGDTCM-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)cn1 ZINC001219374265 780085846 /nfs/dbraw/zinc/08/58/46/780085846.db2.gz SVMMOHSLJUKTJG-UPJWGTAASA-N 1 1 312.370 -1.315 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219370693 780086017 /nfs/dbraw/zinc/08/60/17/780086017.db2.gz GVXNLWLWXTWLPJ-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001219375899 780086317 /nfs/dbraw/zinc/08/63/17/780086317.db2.gz FUQXJJODAMMIAU-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219375899 780086325 /nfs/dbraw/zinc/08/63/25/780086325.db2.gz FUQXJJODAMMIAU-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219375902 780086759 /nfs/dbraw/zinc/08/67/59/780086759.db2.gz FVXKPUUTXBKUJL-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001219371220 780086788 /nfs/dbraw/zinc/08/67/88/780086788.db2.gz QMKIPEGYVXFNBK-RTXFEEFZSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219376951 780087370 /nfs/dbraw/zinc/08/73/70/780087370.db2.gz IYITYXAGKLUAQB-AEJSXWLSSA-N 1 1 311.342 -2.159 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219376951 780087381 /nfs/dbraw/zinc/08/73/81/780087381.db2.gz IYITYXAGKLUAQB-AEJSXWLSSA-N 1 1 311.342 -2.159 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219376212 780087464 /nfs/dbraw/zinc/08/74/64/780087464.db2.gz TYXMJPXGTUIUHJ-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219376212 780087472 /nfs/dbraw/zinc/08/74/72/780087472.db2.gz TYXMJPXGTUIUHJ-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219376954 780087564 /nfs/dbraw/zinc/08/75/64/780087564.db2.gz IYITYXAGKLUAQB-BBBLOLIVSA-N 1 1 311.342 -2.159 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219376954 780087570 /nfs/dbraw/zinc/08/75/70/780087570.db2.gz IYITYXAGKLUAQB-BBBLOLIVSA-N 1 1 311.342 -2.159 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219379074 780088403 /nfs/dbraw/zinc/08/84/03/780088403.db2.gz MWYWCKMRBQVWIN-AXFHLTTASA-N 1 1 309.370 -1.005 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001219394749 780089054 /nfs/dbraw/zinc/08/90/54/780089054.db2.gz SGPIOJYFVDKURG-MJBXVCDLSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219385352 780090338 /nfs/dbraw/zinc/09/03/38/780090338.db2.gz KKTSLERVEOTKNF-NEPJUHHUSA-N 1 1 306.359 -2.180 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219385352 780090343 /nfs/dbraw/zinc/09/03/43/780090343.db2.gz KKTSLERVEOTKNF-NEPJUHHUSA-N 1 1 306.359 -2.180 20 0 DAADMO O=C(CC1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219394885 780090372 /nfs/dbraw/zinc/09/03/72/780090372.db2.gz YNEIMJBNEKFAII-KGLIPLIRSA-N 1 1 316.398 -1.027 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219404020 780090706 /nfs/dbraw/zinc/09/07/06/780090706.db2.gz FEKGBPHFYOCGSH-BDAKNGLRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219404020 780090710 /nfs/dbraw/zinc/09/07/10/780090710.db2.gz FEKGBPHFYOCGSH-BDAKNGLRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219403138 780090796 /nfs/dbraw/zinc/09/07/96/780090796.db2.gz RWIAPNRFPOZUIZ-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001219403138 780090803 /nfs/dbraw/zinc/09/08/03/780090803.db2.gz RWIAPNRFPOZUIZ-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404264 780091664 /nfs/dbraw/zinc/09/16/64/780091664.db2.gz KZPGGDUXFFXYEG-AXFHLTTASA-N 1 1 314.386 -1.720 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404264 780091671 /nfs/dbraw/zinc/09/16/71/780091671.db2.gz KZPGGDUXFFXYEG-AXFHLTTASA-N 1 1 314.386 -1.720 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412917 780093226 /nfs/dbraw/zinc/09/32/26/780093226.db2.gz ISNOIUXCZFYPSQ-MNOVXSKESA-N 1 1 316.358 -2.824 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411499 780093611 /nfs/dbraw/zinc/09/36/11/780093611.db2.gz LLKOKQBNERTGOR-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219412771 780093930 /nfs/dbraw/zinc/09/39/30/780093930.db2.gz FCQFADGOYBHMNF-UTUOFQBUSA-N 1 1 315.370 -1.781 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219414034 780094608 /nfs/dbraw/zinc/09/46/08/780094608.db2.gz PXFUXVWBBHMZEU-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219414130 780094979 /nfs/dbraw/zinc/09/49/79/780094979.db2.gz UCQVVIGQGFRYOJ-MXWKQRLJSA-N 1 1 314.386 -1.722 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219414130 780094988 /nfs/dbraw/zinc/09/49/88/780094988.db2.gz UCQVVIGQGFRYOJ-MXWKQRLJSA-N 1 1 314.386 -1.722 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413448 780095266 /nfs/dbraw/zinc/09/52/66/780095266.db2.gz QLNVJTPSYIJGJC-AXFHLTTASA-N 1 1 319.358 -2.953 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219413486 780095336 /nfs/dbraw/zinc/09/53/36/780095336.db2.gz SMWCTGIOEZRKLN-PRJMDXOYSA-N 1 1 313.276 -1.664 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219413486 780095340 /nfs/dbraw/zinc/09/53/40/780095340.db2.gz SMWCTGIOEZRKLN-PRJMDXOYSA-N 1 1 313.276 -1.664 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001219416310 780095625 /nfs/dbraw/zinc/09/56/25/780095625.db2.gz WTNNGHLFZGEEHD-JLLWLGSASA-N 1 1 311.338 -1.431 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472031 780100589 /nfs/dbraw/zinc/10/05/89/780100589.db2.gz CATSHYBWZAMPEM-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472393 780100800 /nfs/dbraw/zinc/10/08/00/780100800.db2.gz LHBNUACQHYREDH-UPJWGTAASA-N 1 1 317.386 -2.513 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472155 780100827 /nfs/dbraw/zinc/10/08/27/780100827.db2.gz GNECSJOSJQTYPS-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472092 780100917 /nfs/dbraw/zinc/10/09/17/780100917.db2.gz DROMOLXXTAQANE-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219472906 780101394 /nfs/dbraw/zinc/10/13/94/780101394.db2.gz SNXRAWCYSPNBBM-OLZOCXBDSA-N 1 1 317.386 -2.511 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219472906 780101398 /nfs/dbraw/zinc/10/13/98/780101398.db2.gz SNXRAWCYSPNBBM-OLZOCXBDSA-N 1 1 317.386 -2.511 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219479934 780101661 /nfs/dbraw/zinc/10/16/61/780101661.db2.gz HKPROYOVQVKWDC-IPYPFGDCSA-N 1 1 316.398 -1.292 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219479935 780101908 /nfs/dbraw/zinc/10/19/08/780101908.db2.gz HKPROYOVQVKWDC-VNHYZAJKSA-N 1 1 316.398 -1.292 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219478508 780102001 /nfs/dbraw/zinc/10/20/01/780102001.db2.gz ZLPLDCAXIFDWMU-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)n1cncn1 ZINC001219472776 780102202 /nfs/dbraw/zinc/10/22/02/780102202.db2.gz PUWJLCMXYDSBPA-UTUOFQBUSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)n1cncn1 ZINC001219472776 780102203 /nfs/dbraw/zinc/10/22/03/780102203.db2.gz PUWJLCMXYDSBPA-UTUOFQBUSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219473289 780102218 /nfs/dbraw/zinc/10/22/18/780102218.db2.gz ZQEUJGOSCMEARV-MJBXVCDLSA-N 1 1 315.414 -1.359 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219493943 780105012 /nfs/dbraw/zinc/10/50/12/780105012.db2.gz IIWVVIBPKSMJCS-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219493943 780105018 /nfs/dbraw/zinc/10/50/18/780105018.db2.gz IIWVVIBPKSMJCS-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219499652 780105157 /nfs/dbraw/zinc/10/51/57/780105157.db2.gz CHORPBNYAPTOOU-JLLWLGSASA-N 1 1 311.386 -1.062 20 0 DAADMO CO[C@@H](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219494092 780105209 /nfs/dbraw/zinc/10/52/09/780105209.db2.gz KQVMMKKBIFAFRE-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219499807 780106205 /nfs/dbraw/zinc/10/62/05/780106205.db2.gz GMMLAONVIUEORB-GDPRMGEGSA-N 1 1 313.358 -2.216 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219510555 780107423 /nfs/dbraw/zinc/10/74/23/780107423.db2.gz UXQRTLNPPSSMQO-UTLUCORTSA-N 1 1 321.324 -1.292 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219510555 780107428 /nfs/dbraw/zinc/10/74/28/780107428.db2.gz UXQRTLNPPSSMQO-UTLUCORTSA-N 1 1 321.324 -1.292 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001219508252 780108328 /nfs/dbraw/zinc/10/83/28/780108328.db2.gz UCZFHGDFTIUPNF-NEPJUHHUSA-N 1 1 322.365 -1.817 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219510600 780108432 /nfs/dbraw/zinc/10/84/32/780108432.db2.gz WTFNUMJUASVIKN-MXWKQRLJSA-N 1 1 322.369 -1.937 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219511537 780109762 /nfs/dbraw/zinc/10/97/62/780109762.db2.gz QAGYSBHRHBFDDG-MXWKQRLJSA-N 1 1 313.354 -1.086 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511643 780109785 /nfs/dbraw/zinc/10/97/85/780109785.db2.gz VQYCGAIAAPUEEG-UTUOFQBUSA-N 1 1 318.370 -1.692 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001219511642 780109869 /nfs/dbraw/zinc/10/98/69/780109869.db2.gz VQYCGAIAAPUEEG-TUAOUCFPSA-N 1 1 318.370 -1.692 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219525078 780110284 /nfs/dbraw/zinc/11/02/84/780110284.db2.gz QRULRMSAUHHYNO-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219519584 780111188 /nfs/dbraw/zinc/11/11/88/780111188.db2.gz UJEULWBFLQYWGD-WCQGTBRESA-N 1 1 324.385 -1.819 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525158 780111555 /nfs/dbraw/zinc/11/15/55/780111555.db2.gz VSLHZNYEYGXLBM-XQQFMLRXSA-N 1 1 312.370 -1.869 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219531121 780112342 /nfs/dbraw/zinc/11/23/42/780112342.db2.gz NTFNVKWINYMVGD-UTUOFQBUSA-N 1 1 312.370 -1.315 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCOCC1 ZINC001219530595 780113058 /nfs/dbraw/zinc/11/30/58/780113058.db2.gz DXYAFEQHJOANBZ-MJBXVCDLSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCOCC1 ZINC001219530595 780113060 /nfs/dbraw/zinc/11/30/60/780113060.db2.gz DXYAFEQHJOANBZ-MJBXVCDLSA-N 1 1 316.398 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)o2)[C@@H](O)C1 ZINC001219557656 780115480 /nfs/dbraw/zinc/11/54/80/780115480.db2.gz FCGGQPPBYVMYOB-MXWKQRLJSA-N 1 1 314.342 -1.911 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219554372 780115775 /nfs/dbraw/zinc/11/57/75/780115775.db2.gz LQWUPQRWMKZVNO-FRRDWIJNSA-N 1 1 302.371 -1.418 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219554372 780115778 /nfs/dbraw/zinc/11/57/78/780115778.db2.gz LQWUPQRWMKZVNO-FRRDWIJNSA-N 1 1 302.371 -1.418 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219552587 780115797 /nfs/dbraw/zinc/11/57/97/780115797.db2.gz DPZDOYLQPGSFEI-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219552587 780115802 /nfs/dbraw/zinc/11/58/02/780115802.db2.gz DPZDOYLQPGSFEI-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219556377 780116362 /nfs/dbraw/zinc/11/63/62/780116362.db2.gz OWKLRHUOAMNUPI-FRRDWIJNSA-N 1 1 309.370 -1.136 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219556377 780116365 /nfs/dbraw/zinc/11/63/65/780116365.db2.gz OWKLRHUOAMNUPI-FRRDWIJNSA-N 1 1 309.370 -1.136 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC[NH+](C)C ZINC001219554294 780116575 /nfs/dbraw/zinc/11/65/75/780116575.db2.gz ZUCCOQJELKWDBK-QWRGUYRKSA-N 1 1 313.402 -1.881 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219563012 780117547 /nfs/dbraw/zinc/11/75/47/780117547.db2.gz YVRWULVQOCSSFP-NEPJUHHUSA-N 1 1 324.385 -1.637 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219560799 780118089 /nfs/dbraw/zinc/11/80/89/780118089.db2.gz OXJHCPROSPCBIP-VWYCJHECSA-N 1 1 301.343 -1.319 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1)OC ZINC001219570973 780119084 /nfs/dbraw/zinc/11/90/84/780119084.db2.gz DVKCEKBQALMSRL-TUAOUCFPSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219571358 780119447 /nfs/dbraw/zinc/11/94/47/780119447.db2.gz QARVZWFGXBFYMQ-AXFHLTTASA-N 1 1 302.375 -1.498 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001219585849 780120640 /nfs/dbraw/zinc/12/06/40/780120640.db2.gz WKITVCHPRIEFOF-AXFHLTTASA-N 1 1 313.358 -2.176 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001219585337 780120833 /nfs/dbraw/zinc/12/08/33/780120833.db2.gz FDCBHHFQBHDMNV-MNOVXSKESA-N 1 1 313.358 -2.174 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001219585337 780120837 /nfs/dbraw/zinc/12/08/37/780120837.db2.gz FDCBHHFQBHDMNV-MNOVXSKESA-N 1 1 313.358 -2.174 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2O)[nH]1 ZINC001219585532 780120954 /nfs/dbraw/zinc/12/09/54/780120954.db2.gz LPIKKNCCLSTGRS-JLLWLGSASA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2O)n[nH]1 ZINC001219585532 780120957 /nfs/dbraw/zinc/12/09/57/780120957.db2.gz LPIKKNCCLSTGRS-JLLWLGSASA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2O)n[nH]1 ZINC001219585532 780120959 /nfs/dbraw/zinc/12/09/59/780120959.db2.gz LPIKKNCCLSTGRS-JLLWLGSASA-N 1 1 311.386 -1.022 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001219609384 780123338 /nfs/dbraw/zinc/12/33/38/780123338.db2.gz OJTBDBQCXZMRRZ-ZJUUUORDSA-N 1 1 308.404 -2.094 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001219609531 780124217 /nfs/dbraw/zinc/12/42/17/780124217.db2.gz WIGDOYFBPCPSPV-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219611779 780124256 /nfs/dbraw/zinc/12/42/56/780124256.db2.gz JCOFKULSFLZFPW-NEPJUHHUSA-N 1 1 314.386 -1.665 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001219615236 780124669 /nfs/dbraw/zinc/12/46/69/780124669.db2.gz JULMRSOTYDPRLK-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219614991 780124916 /nfs/dbraw/zinc/12/49/16/780124916.db2.gz BNDHWISWDYDCGB-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219615080 780125119 /nfs/dbraw/zinc/12/51/19/780125119.db2.gz FHUMRQUALLBLMC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219617116 780125157 /nfs/dbraw/zinc/12/51/57/780125157.db2.gz LSODGLZZVPKVOF-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219614993 780125256 /nfs/dbraw/zinc/12/52/56/780125256.db2.gz BNDHWISWDYDCGB-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613445 780125559 /nfs/dbraw/zinc/12/55/59/780125559.db2.gz MFKGJBLFQBNNIP-MHYGZLNHSA-N 1 1 312.292 -1.779 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1CCC[NH2+]C1 ZINC001219619383 780126979 /nfs/dbraw/zinc/12/69/79/780126979.db2.gz GLXIKQGUWSIMRO-MBNYWOFBSA-N 1 1 302.394 -1.151 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219625293 780127382 /nfs/dbraw/zinc/12/73/82/780127382.db2.gz IYKZZHIDMDWPLS-MJBXVCDLSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219625293 780127388 /nfs/dbraw/zinc/12/73/88/780127388.db2.gz IYKZZHIDMDWPLS-MJBXVCDLSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001219638517 780128445 /nfs/dbraw/zinc/12/84/45/780128445.db2.gz WNFHBQPYIGQRMC-MNOVXSKESA-N 1 1 300.338 -1.026 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001219670652 780130620 /nfs/dbraw/zinc/13/06/20/780130620.db2.gz WRPYLTRYMALSRS-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)[C@@H](O)C1 ZINC001219672092 780130874 /nfs/dbraw/zinc/13/08/74/780130874.db2.gz DRWIQKCUZJOETJ-MXWKQRLJSA-N 1 1 307.416 -1.115 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674938 780131048 /nfs/dbraw/zinc/13/10/48/780131048.db2.gz HHLZXPBYAQTJFK-AXFHLTTASA-N 1 1 303.359 -2.055 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 ZINC001219675347 780131067 /nfs/dbraw/zinc/13/10/67/780131067.db2.gz YLSHVEPKRJNLEV-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001219670653 780131180 /nfs/dbraw/zinc/13/11/80/780131180.db2.gz WRPYLTRYMALSRS-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 ZINC001219677222 780132442 /nfs/dbraw/zinc/13/24/42/780132442.db2.gz VKQCBBCEHJPLLU-JLLWLGSASA-N 1 1 311.338 -1.449 20 0 DAADMO COC(=O)[C@@H](N)CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676370 780132962 /nfs/dbraw/zinc/13/29/62/780132962.db2.gz HXJSCSQYCZLMPF-VIFPVBQESA-N 1 1 322.387 -2.772 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219683145 780133712 /nfs/dbraw/zinc/13/37/12/780133712.db2.gz ROADMJAZEILXCG-UTUOFQBUSA-N 1 1 324.385 -1.646 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219683145 780133727 /nfs/dbraw/zinc/13/37/27/780133727.db2.gz ROADMJAZEILXCG-UTUOFQBUSA-N 1 1 324.385 -1.646 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219683805 780134214 /nfs/dbraw/zinc/13/42/14/780134214.db2.gz FAIZNATXYRUNPX-MXWKQRLJSA-N 1 1 305.350 -1.342 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219683143 780134484 /nfs/dbraw/zinc/13/44/84/780134484.db2.gz ROADMJAZEILXCG-TUAOUCFPSA-N 1 1 324.385 -1.646 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219683143 780134490 /nfs/dbraw/zinc/13/44/90/780134490.db2.gz ROADMJAZEILXCG-TUAOUCFPSA-N 1 1 324.385 -1.646 20 0 DAADMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219684106 780134537 /nfs/dbraw/zinc/13/45/37/780134537.db2.gz JKTFWRFTPVPZCK-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219684106 780134544 /nfs/dbraw/zinc/13/45/44/780134544.db2.gz JKTFWRFTPVPZCK-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO Nc1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)nc1 ZINC001219680725 780134613 /nfs/dbraw/zinc/13/46/13/780134613.db2.gz VXBCSAJBPZHCCO-UHFFFAOYSA-N 1 1 313.383 -1.371 20 0 DAADMO Cn1cc(N)nc1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219680669 780134781 /nfs/dbraw/zinc/13/47/81/780134781.db2.gz RWLGUBLTFDSADV-UHFFFAOYSA-N 1 1 316.387 -2.033 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697389 780135633 /nfs/dbraw/zinc/13/56/33/780135633.db2.gz UNWWYQLSDKVQTJ-ZDUSSCGKSA-N 1 1 320.393 -1.487 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219704865 780136304 /nfs/dbraw/zinc/13/63/04/780136304.db2.gz NDFJMQNWJWMARA-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219704865 780136308 /nfs/dbraw/zinc/13/63/08/780136308.db2.gz NDFJMQNWJWMARA-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712868 780136666 /nfs/dbraw/zinc/13/66/66/780136666.db2.gz XVTKSSKUASYLJN-UMVBOHGHSA-N 1 1 316.361 -1.002 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714529 780137125 /nfs/dbraw/zinc/13/71/25/780137125.db2.gz NSSXBVRQRJABOB-YNEHKIRRSA-N 1 1 306.366 -1.879 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714584 780137332 /nfs/dbraw/zinc/13/73/32/780137332.db2.gz PIVOCISIIWPTPJ-YNEHKIRRSA-N 1 1 306.366 -1.879 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1=O ZINC001219731918 780137433 /nfs/dbraw/zinc/13/74/33/780137433.db2.gz KCMPJAYEKKDXBT-TUAOUCFPSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1=O ZINC001219731918 780137438 /nfs/dbraw/zinc/13/74/38/780137438.db2.gz KCMPJAYEKKDXBT-TUAOUCFPSA-N 1 1 315.370 -2.365 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737237 780138827 /nfs/dbraw/zinc/13/88/27/780138827.db2.gz QZCNEFLANQZWIR-NEPJUHHUSA-N 1 1 312.414 -1.029 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735142 780139109 /nfs/dbraw/zinc/13/91/09/780139109.db2.gz WYLUBLSBVLJTIT-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001219733220 780139414 /nfs/dbraw/zinc/13/94/14/780139414.db2.gz DLGBPALQAOFJEK-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219736287 780139445 /nfs/dbraw/zinc/13/94/45/780139445.db2.gz LOANTJWIOLNPOT-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219733203 780139553 /nfs/dbraw/zinc/13/95/53/780139553.db2.gz CVUQSXGOJGFZBT-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736438 780139744 /nfs/dbraw/zinc/13/97/44/780139744.db2.gz REMGBBBVPHVXGR-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001219736197 780140088 /nfs/dbraw/zinc/14/00/88/780140088.db2.gz HXATXNQDBMASDY-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735196 780140133 /nfs/dbraw/zinc/14/01/33/780140133.db2.gz ZGCZQPIPCUMLAO-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219748769 780140560 /nfs/dbraw/zinc/14/05/60/780140560.db2.gz BCUSUIWVEJJFPB-OPQQBVKSSA-N 1 1 306.370 -1.236 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219744653 780140701 /nfs/dbraw/zinc/14/07/01/780140701.db2.gz KSJCJYJRHOTPJB-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219742354 780140896 /nfs/dbraw/zinc/14/08/96/780140896.db2.gz CFPJNHIUOOQURX-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746239 780141042 /nfs/dbraw/zinc/14/10/42/780141042.db2.gz GTDBLJSHNCDVHK-VIFPVBQESA-N 1 1 324.389 -1.837 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219742345 780141237 /nfs/dbraw/zinc/14/12/37/780141237.db2.gz BJFKEASCWKVBOQ-AXFHLTTASA-N 1 1 303.359 -2.319 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219742337 780141672 /nfs/dbraw/zinc/14/16/72/780141672.db2.gz BCFFVSVRMAQFJJ-TUAOUCFPSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001219744807 780141730 /nfs/dbraw/zinc/14/17/30/780141730.db2.gz RZUHUOMBJDTTFP-UTUOFQBUSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001219740735 780141750 /nfs/dbraw/zinc/14/17/50/780141750.db2.gz IAEWBTCDGOAOTN-TUAOUCFPSA-N 1 1 317.386 -1.713 20 0 DAADMO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219750250 780142390 /nfs/dbraw/zinc/14/23/90/780142390.db2.gz ZAZRBWMATOBCFK-MNOVXSKESA-N 1 1 322.369 -1.461 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219754065 780142695 /nfs/dbraw/zinc/14/26/95/780142695.db2.gz PFDAMOLHDMEEKC-AEJSXWLSSA-N 1 1 304.347 -2.916 20 0 DAADMO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219750251 780142774 /nfs/dbraw/zinc/14/27/74/780142774.db2.gz ZAZRBWMATOBCFK-QWRGUYRKSA-N 1 1 322.369 -1.461 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001219753625 780142871 /nfs/dbraw/zinc/14/28/71/780142871.db2.gz DVTVVAYMAILRGF-MNOVXSKESA-N 1 1 318.374 -2.260 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219753625 780142874 /nfs/dbraw/zinc/14/28/74/780142874.db2.gz DVTVVAYMAILRGF-MNOVXSKESA-N 1 1 318.374 -2.260 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219750075 780143164 /nfs/dbraw/zinc/14/31/64/780143164.db2.gz WPTOFCFBJWSFCR-OUAUKWLOSA-N 1 1 306.370 -1.378 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219751741 780143293 /nfs/dbraw/zinc/14/32/93/780143293.db2.gz BQJJAENJVMFTAP-MXWKQRLJSA-N 1 1 300.359 -1.887 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1nnc2n1CCCNC2 ZINC001219749157 780143313 /nfs/dbraw/zinc/14/33/13/780143313.db2.gz IQLIYSFDLOZUMI-IUCAKERBSA-N 1 1 309.374 -1.761 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219749151 780143359 /nfs/dbraw/zinc/14/33/59/780143359.db2.gz ILYPJSIKNXEIBY-JTQLQIEISA-N 1 1 306.370 -1.091 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219755966 780144061 /nfs/dbraw/zinc/14/40/61/780144061.db2.gz VOYYSIIYPBENGK-MXWKQRLJSA-N 1 1 302.375 -1.762 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001219754222 780144400 /nfs/dbraw/zinc/14/44/00/780144400.db2.gz WINSHMWQFLDEKD-UTUOFQBUSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001219755931 780144430 /nfs/dbraw/zinc/14/44/30/780144430.db2.gz UCAQKJISSMDGOV-NEPJUHHUSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001219755991 780144914 /nfs/dbraw/zinc/14/49/14/780144914.db2.gz XBAQSNAMTNFOFI-TUAOUCFPSA-N 1 1 314.386 -1.354 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001219767166 780146899 /nfs/dbraw/zinc/14/68/99/780146899.db2.gz MOJUHHARZBCKOZ-UTUOFQBUSA-N 1 1 320.361 -1.326 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001219767166 780146902 /nfs/dbraw/zinc/14/69/02/780146902.db2.gz MOJUHHARZBCKOZ-UTUOFQBUSA-N 1 1 320.361 -1.326 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219792433 780148201 /nfs/dbraw/zinc/14/82/01/780148201.db2.gz KFGMNWWRRBYVKJ-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO Cc1csc(=O)n1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219806613 780149454 /nfs/dbraw/zinc/14/94/54/780149454.db2.gz FFCGOJGVFUGRGM-MNOVXSKESA-N 1 1 315.395 -1.238 20 0 DAADMO C[C@@]1(C(=O)NCc2cc(=O)n3c(n2)CNCCC3)COCC[NH2+]1 ZINC001219806413 780149913 /nfs/dbraw/zinc/14/99/13/780149913.db2.gz VOXCSFPBFGBXOW-HNNXBMFYSA-N 1 1 321.381 -1.269 20 0 DAADMO [NH3+]CCCNCC(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806377 780149975 /nfs/dbraw/zinc/14/99/75/780149975.db2.gz UEEGTQKPVUVCSE-UHFFFAOYSA-N 1 1 308.386 -1.709 20 0 DAADMO O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCC(=O)CN1 ZINC001219808113 780150621 /nfs/dbraw/zinc/15/06/21/780150621.db2.gz UIGQQLDTKHAJIQ-LBPRGKRZSA-N 1 1 319.365 -1.326 20 0 DAADMO CC(C)C[C@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCNC1=O ZINC001219825936 780151196 /nfs/dbraw/zinc/15/11/96/780151196.db2.gz NSRJNOOCVQZOAC-TYNCELHUSA-N 1 1 313.398 -1.308 20 0 DAADMO CC(C)C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCNC1=O ZINC001219825936 780151204 /nfs/dbraw/zinc/15/12/04/780151204.db2.gz NSRJNOOCVQZOAC-TYNCELHUSA-N 1 1 313.398 -1.308 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814632 780151457 /nfs/dbraw/zinc/15/14/57/780151457.db2.gz ISMGDVPLQRVJPF-HUBLWGQQSA-N 1 1 312.414 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813713 780151474 /nfs/dbraw/zinc/15/14/74/780151474.db2.gz AQOLGTRAGJQVCE-AGIUHOORSA-N 1 1 310.398 -1.480 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219825692 780151626 /nfs/dbraw/zinc/15/16/26/780151626.db2.gz GZNMLIRRISQDRM-MQYQWHSLSA-N 1 1 316.398 -1.028 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219825692 780151632 /nfs/dbraw/zinc/15/16/32/780151632.db2.gz GZNMLIRRISQDRM-MQYQWHSLSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cnc2n1CCC2 ZINC001219821116 780152009 /nfs/dbraw/zinc/15/20/09/780152009.db2.gz BGALYRGYQJMYMQ-YPMHNXCESA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cnc2n1CCC2 ZINC001219821116 780152011 /nfs/dbraw/zinc/15/20/11/780152011.db2.gz BGALYRGYQJMYMQ-YPMHNXCESA-N 1 1 324.381 -1.387 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219811987 780152566 /nfs/dbraw/zinc/15/25/66/780152566.db2.gz GNUPGUPZPBYUNT-KGLIPLIRSA-N 1 1 322.413 -1.039 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](O)C1 ZINC001219822892 780152631 /nfs/dbraw/zinc/15/26/31/780152631.db2.gz XSPVVDCDRXTUJY-RNJOBUHISA-N 1 1 302.371 -1.012 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831611 780153619 /nfs/dbraw/zinc/15/36/19/780153619.db2.gz QPSREDDYXGGWLT-GEVSDDDWSA-N 1 1 300.359 -2.696 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834876 780153766 /nfs/dbraw/zinc/15/37/66/780153766.db2.gz TWASEUZVEXISIN-VNHYZAJKSA-N 1 1 323.397 -1.278 20 0 DAADMO O=C(C[C@@H]1COCCN1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838345 780154881 /nfs/dbraw/zinc/15/48/81/780154881.db2.gz PHHKSQSZBGWZGV-GZBFAFLISA-N 1 1 313.398 -1.124 20 0 DAADMO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CNCCC1=O ZINC001219839443 780155252 /nfs/dbraw/zinc/15/52/52/780155252.db2.gz ZVFAZPINFMNYDD-XUJVJEKNSA-N 1 1 311.382 -1.324 20 0 DAADMO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CNCCC1=O ZINC001219839428 780155427 /nfs/dbraw/zinc/15/54/27/780155427.db2.gz ZVFAZPINFMNYDD-HUBLWGQQSA-N 1 1 311.382 -1.324 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219845793 780156054 /nfs/dbraw/zinc/15/60/54/780156054.db2.gz SPIWSVHBDHARNP-MXWKQRLJSA-N 1 1 312.326 -2.036 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845796 780156371 /nfs/dbraw/zinc/15/63/71/780156371.db2.gz SXODHOSFOBTYGD-CRWXNKLISA-N 1 1 317.430 -1.259 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851699 780157616 /nfs/dbraw/zinc/15/76/16/780157616.db2.gz BFAVPYNSOLQQPP-UHFZAUJKSA-N 1 1 314.386 -2.449 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001219896824 780160497 /nfs/dbraw/zinc/16/04/97/780160497.db2.gz LFHBAYKODRRDAL-MXWKQRLJSA-N 1 1 300.403 -1.248 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001219903333 780161233 /nfs/dbraw/zinc/16/12/33/780161233.db2.gz YMZOSLXQQYGBBZ-NEPJUHHUSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219924480 780162077 /nfs/dbraw/zinc/16/20/77/780162077.db2.gz WWKYXXGRCOUJGX-ZJUUUORDSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219924480 780162079 /nfs/dbraw/zinc/16/20/79/780162079.db2.gz WWKYXXGRCOUJGX-ZJUUUORDSA-N 1 1 323.340 -1.046 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219924169 780162262 /nfs/dbraw/zinc/16/22/62/780162262.db2.gz NNUBJUXTIYXTNC-AEJSXWLSSA-N 1 1 321.324 -1.435 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923916 780162496 /nfs/dbraw/zinc/16/24/96/780162496.db2.gz HKKIDNFAFMXWHT-HLTSFMKQSA-N 1 1 309.313 -1.436 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923916 780162498 /nfs/dbraw/zinc/16/24/98/780162498.db2.gz HKKIDNFAFMXWHT-HLTSFMKQSA-N 1 1 309.313 -1.436 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001219915208 780162519 /nfs/dbraw/zinc/16/25/19/780162519.db2.gz CIKXYTRHHQRWNR-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2CC)[C@@H](O)C1 ZINC001219919872 780162862 /nfs/dbraw/zinc/16/28/62/780162862.db2.gz RETPLEIZFDSBMZ-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219949670 780166475 /nfs/dbraw/zinc/16/64/75/780166475.db2.gz OZOXTTICWCJAQJ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219949670 780166477 /nfs/dbraw/zinc/16/64/77/780166477.db2.gz OZOXTTICWCJAQJ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219969331 780167121 /nfs/dbraw/zinc/16/71/21/780167121.db2.gz UXVBYRYCVVWAPC-MNOVXSKESA-N 1 1 313.354 -1.931 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969477 780167352 /nfs/dbraw/zinc/16/73/52/780167352.db2.gz BIAZAGFQERVWSZ-CMPLNLGQSA-N 1 1 310.402 -1.635 20 0 DAADMO CNS(=O)(=O)CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001219961688 780167467 /nfs/dbraw/zinc/16/74/67/780167467.db2.gz RRCZDRHSRMFXHT-JTQLQIEISA-N 1 1 307.420 -2.598 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219963103 780167577 /nfs/dbraw/zinc/16/75/77/780167577.db2.gz JMHCBUGUMSWIEF-MNOVXSKESA-N 1 1 302.375 -1.631 20 0 DAADMO CNS(=O)(=O)CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001219961689 780168075 /nfs/dbraw/zinc/16/80/75/780168075.db2.gz RRCZDRHSRMFXHT-SNVBAGLBSA-N 1 1 307.420 -2.598 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CN1 ZINC001219967953 780168096 /nfs/dbraw/zinc/16/80/96/780168096.db2.gz QBPXFBFOHHBKRM-WOPDTQHZSA-N 1 1 313.402 -2.244 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C1 ZINC001219962859 780168136 /nfs/dbraw/zinc/16/81/36/780168136.db2.gz CUEQWCJXCFMPCV-MXWKQRLJSA-N 1 1 302.375 -1.633 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CCCC1 ZINC001219975949 780168944 /nfs/dbraw/zinc/16/89/44/780168944.db2.gz VMKAHTDSJPNNRO-RDBSUJKOSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCCC1 ZINC001219975949 780168951 /nfs/dbraw/zinc/16/89/51/780168951.db2.gz VMKAHTDSJPNNRO-RDBSUJKOSA-N 1 1 313.398 -1.165 20 0 DAADMO COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC[NH2+]CC1 ZINC001220001806 780169270 /nfs/dbraw/zinc/16/92/70/780169270.db2.gz XNUCOAFALHCWHB-IUCAKERBSA-N 1 1 316.358 -2.778 20 0 DAADMO COC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)CN)CC[NH2+]CC1 ZINC001220001369 780169514 /nfs/dbraw/zinc/16/95/14/780169514.db2.gz QEGWZXCUJMAYLX-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001220010606 780170069 /nfs/dbraw/zinc/17/00/69/780170069.db2.gz APBFLAXBSAFUMY-XQQFMLRXSA-N 1 1 312.370 -1.640 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cc(F)c[nH]1 ZINC001220024541 780171630 /nfs/dbraw/zinc/17/16/30/780171630.db2.gz PQLAHYQASYKADW-NEPJUHHUSA-N 1 1 301.318 -1.062 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc(F)c[nH]1 ZINC001220024541 780171635 /nfs/dbraw/zinc/17/16/35/780171635.db2.gz PQLAHYQASYKADW-NEPJUHHUSA-N 1 1 301.318 -1.062 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220041015 780172519 /nfs/dbraw/zinc/17/25/19/780172519.db2.gz SIZKBUSHBWQBHR-PWSUYJOCSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CNC(=O)C1 ZINC001220048154 780173262 /nfs/dbraw/zinc/17/32/62/780173262.db2.gz NFJNTGGQLCMBJP-SUNKGSAMSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CNC(=O)C1 ZINC001220048154 780173266 /nfs/dbraw/zinc/17/32/66/780173266.db2.gz NFJNTGGQLCMBJP-SUNKGSAMSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220041074 780173851 /nfs/dbraw/zinc/17/38/51/780173851.db2.gz WPIQNPWKRQULDW-WZRBSPASSA-N 1 1 324.381 -1.284 20 0 DAADMO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220044404 780173985 /nfs/dbraw/zinc/17/39/85/780173985.db2.gz FQDPGKVMYRGXAM-MQYQWHSLSA-N 1 1 316.398 -1.028 20 0 DAADMO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220044404 780173989 /nfs/dbraw/zinc/17/39/89/780173989.db2.gz FQDPGKVMYRGXAM-MQYQWHSLSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220073638 780174633 /nfs/dbraw/zinc/17/46/33/780174633.db2.gz GHLKCNFAHCETHN-ZJUUUORDSA-N 1 1 306.388 -2.389 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068848 780174581 /nfs/dbraw/zinc/17/45/81/780174581.db2.gz QHOJDHHFEUHIGK-OUAUKWLOSA-N 1 1 323.415 -2.013 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068848 780174585 /nfs/dbraw/zinc/17/45/85/780174585.db2.gz QHOJDHHFEUHIGK-OUAUKWLOSA-N 1 1 323.415 -2.013 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220073491 780174923 /nfs/dbraw/zinc/17/49/23/780174923.db2.gz CETIHRGSMGXCID-MXWKQRLJSA-N 1 1 322.431 -1.752 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068899 780175007 /nfs/dbraw/zinc/17/50/07/780175007.db2.gz QYZVIBVFIXRWAJ-KXUCPTDWSA-N 1 1 309.388 -2.403 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068899 780175011 /nfs/dbraw/zinc/17/50/11/780175011.db2.gz QYZVIBVFIXRWAJ-KXUCPTDWSA-N 1 1 309.388 -2.403 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)c1=O ZINC001220066778 780175218 /nfs/dbraw/zinc/17/52/18/780175218.db2.gz YWBFDUVGQDSDSZ-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066769 780175290 /nfs/dbraw/zinc/17/52/90/780175290.db2.gz YGPDIIXLHBTZPY-MXWKQRLJSA-N 1 1 313.358 -2.486 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220076288 780175635 /nfs/dbraw/zinc/17/56/35/780175635.db2.gz VDMSBOOUHLPLJY-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085918 780176476 /nfs/dbraw/zinc/17/64/76/780176476.db2.gz RSLIOMLBIZLXRK-XKSSXDPKSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085918 780176480 /nfs/dbraw/zinc/17/64/80/780176480.db2.gz RSLIOMLBIZLXRK-XKSSXDPKSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085917 780176603 /nfs/dbraw/zinc/17/66/03/780176603.db2.gz RSLIOMLBIZLXRK-MRTMQBJTSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085917 780176606 /nfs/dbraw/zinc/17/66/06/780176606.db2.gz RSLIOMLBIZLXRK-MRTMQBJTSA-N 1 1 302.356 -1.680 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220081989 780176819 /nfs/dbraw/zinc/17/68/19/780176819.db2.gz LXRSDWVLBUUGND-FRRDWIJNSA-N 1 1 312.370 -1.085 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)c2cnn(C)c2)[C@@H](O)C1 ZINC001220081989 780176824 /nfs/dbraw/zinc/17/68/24/780176824.db2.gz LXRSDWVLBUUGND-FRRDWIJNSA-N 1 1 312.370 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 ZINC001220078632 780177202 /nfs/dbraw/zinc/17/72/02/780177202.db2.gz XRBTXNJHJXBZLO-KKZNHRDASA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 ZINC001220078632 780177209 /nfs/dbraw/zinc/17/72/09/780177209.db2.gz XRBTXNJHJXBZLO-KKZNHRDASA-N 1 1 315.326 -1.535 20 0 DAADMO O=C(CNC(=O)[C@@H]1COC[NH2+]1)NCC(=O)OCc1ccccc1 ZINC001220104658 780178019 /nfs/dbraw/zinc/17/80/19/780178019.db2.gz JSGNVPFYEYYGOP-LBPRGKRZSA-N 1 1 321.333 -1.092 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC(=N)SCC[NH3+] ZINC001220106114 780179561 /nfs/dbraw/zinc/17/95/61/780179561.db2.gz BHTHVIDNBVVDEV-QMMMGPOBSA-N 1 1 319.431 -1.012 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220112708 780180120 /nfs/dbraw/zinc/18/01/20/780180120.db2.gz XEXXIBSFFCJJRA-MXWKQRLJSA-N 1 1 301.387 -1.309 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220112708 780180128 /nfs/dbraw/zinc/18/01/28/780180128.db2.gz XEXXIBSFFCJJRA-MXWKQRLJSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220114395 780180567 /nfs/dbraw/zinc/18/05/67/780180567.db2.gz CSDZHLBHLONROA-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001220119117 780181738 /nfs/dbraw/zinc/18/17/38/780181738.db2.gz ALCMULGMHNXSKS-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001220119117 780181742 /nfs/dbraw/zinc/18/17/42/780181742.db2.gz ALCMULGMHNXSKS-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220136199 780183014 /nfs/dbraw/zinc/18/30/14/780183014.db2.gz RYXYEPJEXBBJRK-UTUOFQBUSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220136199 780183020 /nfs/dbraw/zinc/18/30/20/780183020.db2.gz RYXYEPJEXBBJRK-UTUOFQBUSA-N 1 1 309.370 -1.444 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220139792 780184472 /nfs/dbraw/zinc/18/44/72/780184472.db2.gz UYUMUNVJKXHSGU-MXWKQRLJSA-N 1 1 300.359 -1.792 20 0 DAADMO N[C@@H](CSCC[NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143642 780184945 /nfs/dbraw/zinc/18/49/45/780184945.db2.gz PRNUOCOUYNKHEI-VIFPVBQESA-N 1 1 307.441 -1.301 20 0 DAADMO CC[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220152301 780186317 /nfs/dbraw/zinc/18/63/17/780186317.db2.gz BONFOJIQCOTAAW-MXWKQRLJSA-N 1 1 302.350 -1.079 20 0 DAADMO CC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220152301 780186325 /nfs/dbraw/zinc/18/63/25/780186325.db2.gz BONFOJIQCOTAAW-MXWKQRLJSA-N 1 1 302.350 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159249 780186547 /nfs/dbraw/zinc/18/65/47/780186547.db2.gz GDHHPEVLPLONGQ-HLTSFMKQSA-N 1 1 300.319 -3.008 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159249 780186552 /nfs/dbraw/zinc/18/65/52/780186552.db2.gz GDHHPEVLPLONGQ-HLTSFMKQSA-N 1 1 300.319 -3.008 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1(C[NH3+])COC1 ZINC001220157017 780186966 /nfs/dbraw/zinc/18/69/66/780186966.db2.gz UJAYDGXLXCIMLQ-LBPRGKRZSA-N 1 1 306.366 -1.484 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220224522 780191334 /nfs/dbraw/zinc/19/13/34/780191334.db2.gz QUOFLRQMOSOUHT-OLZOCXBDSA-N 1 1 312.370 -1.003 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220207757 780191353 /nfs/dbraw/zinc/19/13/53/780191353.db2.gz SRWLLPRYIIDWJB-UTUOFQBUSA-N 1 1 315.370 -2.223 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220207757 780191357 /nfs/dbraw/zinc/19/13/57/780191357.db2.gz SRWLLPRYIIDWJB-UTUOFQBUSA-N 1 1 315.370 -2.223 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220224457 780191547 /nfs/dbraw/zinc/19/15/47/780191547.db2.gz ODXJEWLVDQPUJR-IEBDPFPHSA-N 1 1 312.326 -2.448 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227306 780192327 /nfs/dbraw/zinc/19/23/27/780192327.db2.gz NCGAIDKPMWYDNG-RTXFEEFZSA-N 1 1 312.370 -1.005 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220236911 780192438 /nfs/dbraw/zinc/19/24/38/780192438.db2.gz JXKGPOASGNNOLZ-YIZRAAEISA-N 1 1 322.312 -1.889 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220236911 780192445 /nfs/dbraw/zinc/19/24/45/780192445.db2.gz JXKGPOASGNNOLZ-YIZRAAEISA-N 1 1 322.312 -1.889 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236912 780192844 /nfs/dbraw/zinc/19/28/44/780192844.db2.gz JYKHYWHCLCTHDA-AXFHLTTASA-N 1 1 316.358 -2.508 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236912 780192849 /nfs/dbraw/zinc/19/28/49/780192849.db2.gz JYKHYWHCLCTHDA-AXFHLTTASA-N 1 1 316.358 -2.508 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237327 780193503 /nfs/dbraw/zinc/19/35/03/780193503.db2.gz SYXKFLYFSKLWHQ-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220242119 780193660 /nfs/dbraw/zinc/19/36/60/780193660.db2.gz LEQGIWWFJGYGPX-AXFHLTTASA-N 1 1 323.415 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220237428 780194168 /nfs/dbraw/zinc/19/41/68/780194168.db2.gz VYBRJNVAHKEIOL-TUAOUCFPSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220237428 780194172 /nfs/dbraw/zinc/19/41/72/780194172.db2.gz VYBRJNVAHKEIOL-TUAOUCFPSA-N 1 1 312.370 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220242721 780194347 /nfs/dbraw/zinc/19/43/47/780194347.db2.gz DGDFNRKNZMAFRO-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220242721 780194350 /nfs/dbraw/zinc/19/43/50/780194350.db2.gz DGDFNRKNZMAFRO-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO O=C(NCc1nnc[nH]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220250303 780194969 /nfs/dbraw/zinc/19/49/69/780194969.db2.gz WHDBDEPJOZXWAY-SECBINFHSA-N 1 1 313.383 -1.165 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249446 780195740 /nfs/dbraw/zinc/19/57/40/780195740.db2.gz JNYGRVPVBOQBCG-MNOVXSKESA-N 1 1 307.416 -1.128 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220256548 780197046 /nfs/dbraw/zinc/19/70/46/780197046.db2.gz WPBURRRAYWMIEJ-UTUOFQBUSA-N 1 1 311.382 -1.018 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269138 780198468 /nfs/dbraw/zinc/19/84/68/780198468.db2.gz QHYVLFYDMLJUNH-MCIONIFRSA-N 1 1 315.414 -1.503 20 0 DAADMO COCCn1cncc1CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220274506 780198844 /nfs/dbraw/zinc/19/88/44/780198844.db2.gz FRZQFASSTANXAI-CQSZACIVSA-N 1 1 324.429 -1.104 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295718 780199882 /nfs/dbraw/zinc/19/98/82/780199882.db2.gz ZBVVTPIIOIWXFO-MNOVXSKESA-N 1 1 316.333 -1.013 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295718 780199889 /nfs/dbraw/zinc/19/98/89/780199889.db2.gz ZBVVTPIIOIWXFO-MNOVXSKESA-N 1 1 316.333 -1.013 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001220280206 780199978 /nfs/dbraw/zinc/19/99/78/780199978.db2.gz DCPQAOZGDJMMPC-MJBXVCDLSA-N 1 1 314.382 -1.108 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C(C)C ZINC001220285438 780200288 /nfs/dbraw/zinc/20/02/88/780200288.db2.gz ZHIPWPNLHBJLFA-FRRDWIJNSA-N 1 1 304.387 -1.172 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C(C)C ZINC001220285438 780200292 /nfs/dbraw/zinc/20/02/92/780200292.db2.gz ZHIPWPNLHBJLFA-FRRDWIJNSA-N 1 1 304.387 -1.172 20 0 DAADMO [NH3+][C@H]1CCCCN(CC(=O)N[C@@H](CO)Cc2cnc[nH]2)C1=O ZINC001220290840 780200303 /nfs/dbraw/zinc/20/03/03/780200303.db2.gz FVYHZBQZOYGRIX-NEPJUHHUSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312680 780201266 /nfs/dbraw/zinc/20/12/66/780201266.db2.gz BKQPRBBUCOPUGG-UWVGGRQHSA-N 1 1 324.385 -2.183 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311877 780201700 /nfs/dbraw/zinc/20/17/00/780201700.db2.gz RNXLOJPHRDEEQH-LBPRGKRZSA-N 1 1 320.397 -1.058 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319602 780202994 /nfs/dbraw/zinc/20/29/94/780202994.db2.gz HYJJUFVFYRZPDE-MIJXAVMKSA-N 1 1 314.386 -2.162 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220317980 780203030 /nfs/dbraw/zinc/20/30/30/780203030.db2.gz BVOJMWSUQLEGOO-WOPDTQHZSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220317980 780203036 /nfs/dbraw/zinc/20/30/36/780203036.db2.gz BVOJMWSUQLEGOO-WOPDTQHZSA-N 1 1 313.358 -1.899 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220355033 780204117 /nfs/dbraw/zinc/20/41/17/780204117.db2.gz AVMZRVOVJCMZNV-MJBXVCDLSA-N 1 1 315.414 -1.502 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351650 780204256 /nfs/dbraw/zinc/20/42/56/780204256.db2.gz CRWMCDSVSDEBSK-XQQFMLRXSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCNC1=O ZINC001220344924 780204360 /nfs/dbraw/zinc/20/43/60/780204360.db2.gz LBXFWIRZSXJRQW-SUNKGSAMSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCNC1=O ZINC001220344924 780204363 /nfs/dbraw/zinc/20/43/63/780204363.db2.gz LBXFWIRZSXJRQW-SUNKGSAMSA-N 1 1 315.370 -2.317 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355122 780204675 /nfs/dbraw/zinc/20/46/75/780204675.db2.gz DXPDMAGJGZEQRW-UPJWGTAASA-N 1 1 312.414 -1.374 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220347931 780204931 /nfs/dbraw/zinc/20/49/31/780204931.db2.gz ZIFTYUSRSHYABJ-NOOOWODRSA-N 1 1 315.370 -1.783 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCNC1=O ZINC001220344925 780205214 /nfs/dbraw/zinc/20/52/14/780205214.db2.gz LBXFWIRZSXJRQW-UHIISALHSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCNC1=O ZINC001220344925 780205219 /nfs/dbraw/zinc/20/52/19/780205219.db2.gz LBXFWIRZSXJRQW-UHIISALHSA-N 1 1 315.370 -2.317 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001220374196 780206503 /nfs/dbraw/zinc/20/65/03/780206503.db2.gz WWFPLWZZMVSKBR-YUTCNCBUSA-N 1 1 323.397 -1.055 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363846 780206662 /nfs/dbraw/zinc/20/66/62/780206662.db2.gz RHCUGJDJGLRQFR-XQHKEYJVSA-N 1 1 313.398 -1.058 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363846 780206665 /nfs/dbraw/zinc/20/66/65/780206665.db2.gz RHCUGJDJGLRQFR-XQHKEYJVSA-N 1 1 313.398 -1.058 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220373061 780206702 /nfs/dbraw/zinc/20/67/02/780206702.db2.gz YBHPEAKXRJVLJG-XQQFMLRXSA-N 1 1 312.370 -1.640 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220366800 780206728 /nfs/dbraw/zinc/20/67/28/780206728.db2.gz BKHFLVRNLHNIEB-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCC[P@](=O)([O-])O ZINC001220375230 780206756 /nfs/dbraw/zinc/20/67/56/780206756.db2.gz JSDFWJAISZWIJP-LLVKDONJSA-N 1 1 322.346 -1.189 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220363690 780206875 /nfs/dbraw/zinc/20/68/75/780206875.db2.gz KSXFHHSGGYRWGD-RGOKHQFPSA-N 1 1 321.324 -1.449 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220363690 780206880 /nfs/dbraw/zinc/20/68/80/780206880.db2.gz KSXFHHSGGYRWGD-RGOKHQFPSA-N 1 1 321.324 -1.449 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)O1 ZINC001220387709 780207967 /nfs/dbraw/zinc/20/79/67/780207967.db2.gz OJNYLGYKHRYXLU-FVCCEPFGSA-N 1 1 302.371 -1.276 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)O1 ZINC001220387709 780207970 /nfs/dbraw/zinc/20/79/70/780207970.db2.gz OJNYLGYKHRYXLU-FVCCEPFGSA-N 1 1 302.371 -1.276 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399346 780210287 /nfs/dbraw/zinc/21/02/87/780210287.db2.gz MVKGPFMEMPTBNX-RTXFEEFZSA-N 1 1 322.365 -1.647 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399502 780210599 /nfs/dbraw/zinc/21/05/99/780210599.db2.gz VDEJWIRIXCOSDL-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220401653 780210639 /nfs/dbraw/zinc/21/06/39/780210639.db2.gz HWAZMISLZIKTRV-XQQFMLRXSA-N 1 1 317.386 -1.929 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220401653 780210647 /nfs/dbraw/zinc/21/06/47/780210647.db2.gz HWAZMISLZIKTRV-XQQFMLRXSA-N 1 1 317.386 -1.929 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220399527 780211129 /nfs/dbraw/zinc/21/11/29/780211129.db2.gz WKFZVDZSJZOCIJ-NEPJUHHUSA-N 1 1 308.338 -2.035 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220427820 780211654 /nfs/dbraw/zinc/21/16/54/780211654.db2.gz PAVFYZZLWCHKOG-JLLWLGSASA-N 1 1 319.427 -1.115 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001220418234 780211963 /nfs/dbraw/zinc/21/19/63/780211963.db2.gz METUGXQJUQZZSO-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC001220418234 780211965 /nfs/dbraw/zinc/21/19/65/780211965.db2.gz METUGXQJUQZZSO-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220427821 780212456 /nfs/dbraw/zinc/21/24/56/780212456.db2.gz PAVFYZZLWCHKOG-WCQGTBRESA-N 1 1 319.427 -1.115 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439310 780213447 /nfs/dbraw/zinc/21/34/47/780213447.db2.gz SGVBXDWWWQIQNE-ZJUUUORDSA-N 1 1 324.403 -2.810 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220436863 780213643 /nfs/dbraw/zinc/21/36/43/780213643.db2.gz KILCEDVFEDDHSJ-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220436863 780213650 /nfs/dbraw/zinc/21/36/50/780213650.db2.gz KILCEDVFEDDHSJ-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220429433 780213808 /nfs/dbraw/zinc/21/38/08/780213808.db2.gz RMGIQPLFBSFUTM-MNOVXSKESA-N 1 1 321.385 -1.971 20 0 DAADMO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCCN1 ZINC001220431703 780213988 /nfs/dbraw/zinc/21/39/88/780213988.db2.gz NIKBJRJPTIWRKI-KBPBESRZSA-N 1 1 320.393 -1.223 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220428835 780214161 /nfs/dbraw/zinc/21/41/61/780214161.db2.gz FYIMKKAKMUTBBT-AGIUHOORSA-N 1 1 310.398 -1.166 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC[C@H]1COCCN1)C(N)=O ZINC001220431223 780214204 /nfs/dbraw/zinc/21/42/04/780214204.db2.gz CULTXBTYAGBWHD-LPEHRKFASA-N 1 1 315.374 -2.812 20 0 DAADMO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2COCCN2)COC1(C)C ZINC001220432088 780214448 /nfs/dbraw/zinc/21/44/48/780214448.db2.gz XRWUTIHNOOSYME-AXFHLTTASA-N 1 1 314.386 -1.598 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431811 780214770 /nfs/dbraw/zinc/21/47/70/780214770.db2.gz QNGHLNDSBBEZRO-KBPBESRZSA-N 1 1 320.393 -1.223 20 0 DAADMO O=C(COC1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220459333 780215838 /nfs/dbraw/zinc/21/58/38/780215838.db2.gz QYTFZDYONJRUMH-OLZOCXBDSA-N 1 1 302.371 -1.274 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)n1 ZINC001220478916 780216588 /nfs/dbraw/zinc/21/65/88/780216588.db2.gz PUURGJFKNCSORE-RTXFEEFZSA-N 1 1 312.370 -1.315 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001220495303 780218274 /nfs/dbraw/zinc/21/82/74/780218274.db2.gz UBSVQTMVYQEWPP-TUAOUCFPSA-N 1 1 315.395 -1.146 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481710 780218295 /nfs/dbraw/zinc/21/82/95/780218295.db2.gz OHQDWECFHUUDNL-WGBDABJCSA-N 1 1 303.359 -1.282 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220506753 780219968 /nfs/dbraw/zinc/21/99/68/780219968.db2.gz WADLTMODMNYXLJ-VWYCJHECSA-N 1 1 323.415 -2.286 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220506753 780219971 /nfs/dbraw/zinc/21/99/71/780219971.db2.gz WADLTMODMNYXLJ-VWYCJHECSA-N 1 1 323.415 -2.286 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220509904 780220052 /nfs/dbraw/zinc/22/00/52/780220052.db2.gz VVMUMRLLRPCVSO-MNOVXSKESA-N 1 1 319.427 -1.115 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@@H](O)C1 ZINC001220506417 780220283 /nfs/dbraw/zinc/22/02/83/780220283.db2.gz NNGKFZARSJALQH-VWYCJHECSA-N 1 1 307.416 -1.259 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCCOCCOCC[NH3+] ZINC001220519417 780222460 /nfs/dbraw/zinc/22/24/60/780222460.db2.gz NKVIDJILRIYMKS-UWVGGRQHSA-N 1 1 306.363 -3.081 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)CCCC1 ZINC001220536441 780224036 /nfs/dbraw/zinc/22/40/36/780224036.db2.gz DEYQYYRNHOFQFC-UHTWSYAYSA-N 1 1 313.398 -1.023 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220544479 780224194 /nfs/dbraw/zinc/22/41/94/780224194.db2.gz KUUSSCSFYCRSPN-MNOVXSKESA-N 1 1 322.369 -2.034 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001220544479 780224200 /nfs/dbraw/zinc/22/42/00/780224200.db2.gz KUUSSCSFYCRSPN-MNOVXSKESA-N 1 1 322.369 -2.034 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220541113 780224642 /nfs/dbraw/zinc/22/46/42/780224642.db2.gz URYLHNKWJKIYJX-MNOVXSKESA-N 1 1 315.370 -2.317 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220541113 780224648 /nfs/dbraw/zinc/22/46/48/780224648.db2.gz URYLHNKWJKIYJX-MNOVXSKESA-N 1 1 315.370 -2.317 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220540792 780224765 /nfs/dbraw/zinc/22/47/65/780224765.db2.gz GPYUGLZHJXYQLJ-TUAOUCFPSA-N 1 1 311.382 -1.290 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2O)CC1 ZINC001220544495 780225223 /nfs/dbraw/zinc/22/52/23/780225223.db2.gz LKFBCXALEWNELV-TUAOUCFPSA-N 1 1 313.398 -1.165 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)nc(C)n1 ZINC001220537765 780225318 /nfs/dbraw/zinc/22/53/18/780225318.db2.gz JENQOUJIOWVEFR-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)nc(C)n1 ZINC001220537765 780225328 /nfs/dbraw/zinc/22/53/28/780225328.db2.gz JENQOUJIOWVEFR-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558208 780225996 /nfs/dbraw/zinc/22/59/96/780225996.db2.gz PEHUSEBQKBGIEF-TUAOUCFPSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001220558144 780226545 /nfs/dbraw/zinc/22/65/45/780226545.db2.gz MHIODEROHBZTAA-TUAOUCFPSA-N 1 1 314.386 -1.674 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220552446 780226646 /nfs/dbraw/zinc/22/66/46/780226646.db2.gz VAQCANUQUKLPTN-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO O=C(CCCCN1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220547888 780227047 /nfs/dbraw/zinc/22/70/47/780227047.db2.gz MEJXZWMGIRUFJP-KGLIPLIRSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220553439 780227605 /nfs/dbraw/zinc/22/76/05/780227605.db2.gz JTUJFXBAMGCGCV-OLZOCXBDSA-N 1 1 301.387 -1.748 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(C)=O)[C@@H](O)C1 ZINC001220562774 780228077 /nfs/dbraw/zinc/22/80/77/780228077.db2.gz DUXZLPSENROCNQ-UTUOFQBUSA-N 1 1 317.386 -1.930 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC2(COC2)C1 ZINC001220570833 780228607 /nfs/dbraw/zinc/22/86/07/780228607.db2.gz AVEQDUWJXCTBTH-ZDUSSCGKSA-N 1 1 311.430 -1.815 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001220563032 780229017 /nfs/dbraw/zinc/22/90/17/780229017.db2.gz NIVHPDDQCGLBEQ-NEPJUHHUSA-N 1 1 324.381 -1.256 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001220565517 780229394 /nfs/dbraw/zinc/22/93/94/780229394.db2.gz UBXUJHMCFQXTEX-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220578836 780230215 /nfs/dbraw/zinc/23/02/15/780230215.db2.gz UALNDHPCHUYYHB-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220592266 780232630 /nfs/dbraw/zinc/23/26/30/780232630.db2.gz YEQLLWVMLKEZAH-XQQFMLRXSA-N 1 1 324.381 -1.422 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603479 780233369 /nfs/dbraw/zinc/23/33/69/780233369.db2.gz IDNCXSSOOZYVGW-AXFHLTTASA-N 1 1 314.346 -2.768 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220633126 780235032 /nfs/dbraw/zinc/23/50/32/780235032.db2.gz WDXXMCRAFDTCDE-OLZOCXBDSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220633126 780235040 /nfs/dbraw/zinc/23/50/40/780235040.db2.gz WDXXMCRAFDTCDE-OLZOCXBDSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220606501 780235130 /nfs/dbraw/zinc/23/51/30/780235130.db2.gz VMAVWSXCGGHERH-XQQFMLRXSA-N 1 1 324.385 -1.349 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1)OC ZINC001220606183 780235249 /nfs/dbraw/zinc/23/52/49/780235249.db2.gz JBPIDADBZBEPKN-UTUOFQBUSA-N 1 1 312.374 -1.351 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220621139 780235823 /nfs/dbraw/zinc/23/58/23/780235823.db2.gz ZAVDJXSJIRUMLR-SFYZADRCSA-N 1 1 313.276 -1.527 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220621139 780235829 /nfs/dbraw/zinc/23/58/29/780235829.db2.gz ZAVDJXSJIRUMLR-SFYZADRCSA-N 1 1 313.276 -1.527 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635026 780236074 /nfs/dbraw/zinc/23/60/74/780236074.db2.gz FUYPTXHDPZVQKS-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653891 780236712 /nfs/dbraw/zinc/23/67/12/780236712.db2.gz XHATYCUNXLSLCD-UPJWGTAASA-N 1 1 324.381 -1.170 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220653800 780236786 /nfs/dbraw/zinc/23/67/86/780236786.db2.gz VCCPVLODRRIZBP-MNOVXSKESA-N 1 1 313.358 -2.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001220682860 780238323 /nfs/dbraw/zinc/23/83/23/780238323.db2.gz DXSATEDWJSMSNQ-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001220683400 780238679 /nfs/dbraw/zinc/23/86/79/780238679.db2.gz QOJVECFMJFERSH-NEPJUHHUSA-N 1 1 310.402 -1.182 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220656570 780238897 /nfs/dbraw/zinc/23/88/97/780238897.db2.gz HGMPJDZLSAMIDU-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220683770 780239239 /nfs/dbraw/zinc/23/92/39/780239239.db2.gz ZKIPMDMOEHAQDI-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220660838 780239671 /nfs/dbraw/zinc/23/96/71/780239671.db2.gz DABXVUZRESUURC-MXWKQRLJSA-N 1 1 313.358 -2.126 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688460 780239854 /nfs/dbraw/zinc/23/98/54/780239854.db2.gz HLQRJNUCWQKTFI-UTUOFQBUSA-N 1 1 300.403 -1.247 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220661009 780239902 /nfs/dbraw/zinc/23/99/02/780239902.db2.gz HPGUMZDSXCAQQW-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1O ZINC001220682810 780239959 /nfs/dbraw/zinc/23/99/59/780239959.db2.gz BEBULTGZPHFFSW-NEPJUHHUSA-N 1 1 321.443 -1.466 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220688925 780240794 /nfs/dbraw/zinc/24/07/94/780240794.db2.gz WEDSTUXYCPFDPI-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220688925 780240797 /nfs/dbraw/zinc/24/07/97/780240797.db2.gz WEDSTUXYCPFDPI-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnccn2)[C@@H](O)C1 ZINC001220692618 780241048 /nfs/dbraw/zinc/24/10/48/780241048.db2.gz YBOXIQDBMNMVPU-MCIONIFRSA-N 1 1 324.381 -1.422 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001220707933 780241878 /nfs/dbraw/zinc/24/18/78/780241878.db2.gz FFXMNSAWRAVJLQ-AEJSXWLSSA-N 1 1 311.346 -2.641 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768402 780245724 /nfs/dbraw/zinc/24/57/24/780245724.db2.gz KAIYTQVZCFMUNN-XQQFMLRXSA-N 1 1 319.402 -2.267 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220791927 780246641 /nfs/dbraw/zinc/24/66/41/780246641.db2.gz QFSPNIWNXJWGNG-UTUOFQBUSA-N 1 1 301.387 -1.165 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220791790 780247146 /nfs/dbraw/zinc/24/71/46/780247146.db2.gz KNSSOPFMZRAYJP-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001220771167 780247367 /nfs/dbraw/zinc/24/73/67/780247367.db2.gz HODMYIRUSWRZLA-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c1 ZINC001220771167 780247370 /nfs/dbraw/zinc/24/73/70/780247370.db2.gz HODMYIRUSWRZLA-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO C[C@@H](O)CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768688 780247513 /nfs/dbraw/zinc/24/75/13/780247513.db2.gz YPGUJMBWXFRHAC-MCIONIFRSA-N 1 1 317.430 -1.113 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220769240 780247587 /nfs/dbraw/zinc/24/75/87/780247587.db2.gz LPVLJHDMJOJAIS-VXGBXAGGSA-N 1 1 320.353 -1.087 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799362 780248690 /nfs/dbraw/zinc/24/86/90/780248690.db2.gz ZKTQFHOLKUOOSZ-AEJSXWLSSA-N 1 1 321.324 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799362 780248694 /nfs/dbraw/zinc/24/86/94/780248694.db2.gz ZKTQFHOLKUOOSZ-AEJSXWLSSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220809428 780248702 /nfs/dbraw/zinc/24/87/02/780248702.db2.gz YAHQCFGUUPEXFX-UPJWGTAASA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220809428 780248705 /nfs/dbraw/zinc/24/87/05/780248705.db2.gz YAHQCFGUUPEXFX-UPJWGTAASA-N 1 1 301.387 -1.309 20 0 DAADMO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220798683 780248751 /nfs/dbraw/zinc/24/87/51/780248751.db2.gz FNMLZRIEUXRPBL-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(C(=O)OCC)CNC1 ZINC001220852883 780252287 /nfs/dbraw/zinc/25/22/87/780252287.db2.gz BDCLXHIPUWBVIB-NXEZZACHSA-N 1 1 313.354 -1.594 20 0 DAADMO C[C@@H](OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1nccn1C ZINC001220866065 780252460 /nfs/dbraw/zinc/25/24/60/780252460.db2.gz GWLSZSSCZKFGIH-UTUOFQBUSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H](OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nccn1C ZINC001220866065 780252464 /nfs/dbraw/zinc/25/24/64/780252464.db2.gz GWLSZSSCZKFGIH-UTUOFQBUSA-N 1 1 312.370 -1.349 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220857146 780253043 /nfs/dbraw/zinc/25/30/43/780253043.db2.gz KXMPUBTXYWDOPA-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)CNC1 ZINC001220853340 780253102 /nfs/dbraw/zinc/25/31/02/780253102.db2.gz WPNNRKSMXSBVBN-NSHDSACASA-N 1 1 314.386 -1.359 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220857356 780253217 /nfs/dbraw/zinc/25/32/17/780253217.db2.gz XVJOMHOEOJBING-MXWKQRLJSA-N 1 1 302.375 -1.633 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CNC1 ZINC001220851062 780253508 /nfs/dbraw/zinc/25/35/08/780253508.db2.gz GAJRRFUNNZKOKE-MRVPVSSYSA-N 1 1 301.347 -2.217 20 0 DAADMO Nc1nn2cccnc2c1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220877236 780255323 /nfs/dbraw/zinc/25/53/23/780255323.db2.gz WUFQCZMGTLTXTI-UHFFFAOYSA-N 1 1 303.326 -1.527 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879095 780256621 /nfs/dbraw/zinc/25/66/21/780256621.db2.gz FHFGITRXRPEQRX-AEJSXWLSSA-N 1 1 309.388 -2.580 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879095 780256631 /nfs/dbraw/zinc/25/66/31/780256631.db2.gz FHFGITRXRPEQRX-AEJSXWLSSA-N 1 1 309.388 -2.580 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220890085 780257215 /nfs/dbraw/zinc/25/72/15/780257215.db2.gz UEDZOCDAGFBTFK-UTUOFQBUSA-N 1 1 311.338 -1.431 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913899 780258196 /nfs/dbraw/zinc/25/81/96/780258196.db2.gz STFMZFBQOBNLBX-OLZOCXBDSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(CCNC(=O)c1ccco1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220922862 780258957 /nfs/dbraw/zinc/25/89/57/780258957.db2.gz PLZMTNNYXJVJCI-MNOVXSKESA-N 1 1 311.338 -1.447 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220935529 780260675 /nfs/dbraw/zinc/26/06/75/780260675.db2.gz JVHLFCNRSXFCTH-MNOVXSKESA-N 1 1 310.358 -1.897 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001220933598 780260829 /nfs/dbraw/zinc/26/08/29/780260829.db2.gz FSWQSSAUGVZMEW-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220935517 780261356 /nfs/dbraw/zinc/26/13/56/780261356.db2.gz JJSNBAFCUOLQEG-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cc(C[NH3+])cnc1=N ZINC001220950630 780261911 /nfs/dbraw/zinc/26/19/11/780261911.db2.gz AMKJNYUFAVDAON-JTQLQIEISA-N 1 1 324.385 -1.280 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936878 780262153 /nfs/dbraw/zinc/26/21/53/780262153.db2.gz JRBLTEDRWFAWHF-QWRGUYRKSA-N 1 1 304.416 -1.365 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220937811 780262266 /nfs/dbraw/zinc/26/22/66/780262266.db2.gz BJUXOGXZFAKESJ-TUAOUCFPSA-N 1 1 314.386 -1.225 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220938137 780263159 /nfs/dbraw/zinc/26/31/59/780263159.db2.gz OJWJISGWCGBKLZ-NEPJUHHUSA-N 1 1 314.386 -1.225 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938077 780263192 /nfs/dbraw/zinc/26/31/92/780263192.db2.gz NLZYCSIAGOLMDW-NEPJUHHUSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938077 780263197 /nfs/dbraw/zinc/26/31/97/780263197.db2.gz NLZYCSIAGOLMDW-NEPJUHHUSA-N 1 1 324.385 -1.552 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220937821 780263342 /nfs/dbraw/zinc/26/33/42/780263342.db2.gz BSELOTCKNIJKJD-NEPJUHHUSA-N 1 1 324.385 -1.818 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976254 780265073 /nfs/dbraw/zinc/26/50/73/780265073.db2.gz QTPFLSCZCIQZEJ-MJBXVCDLSA-N 1 1 324.425 -1.374 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001220976331 780265370 /nfs/dbraw/zinc/26/53/70/780265370.db2.gz UVSPPIMETDRKFC-OLZOCXBDSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001220976331 780265371 /nfs/dbraw/zinc/26/53/71/780265371.db2.gz UVSPPIMETDRKFC-OLZOCXBDSA-N 1 1 312.370 -1.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@@H]1O ZINC001220992988 780266611 /nfs/dbraw/zinc/26/66/11/780266611.db2.gz NZMKQFXDRYTGID-MNOVXSKESA-N 1 1 305.400 -1.337 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@@H]1O ZINC001220992988 780266615 /nfs/dbraw/zinc/26/66/15/780266615.db2.gz NZMKQFXDRYTGID-MNOVXSKESA-N 1 1 305.400 -1.337 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001220992822 780266688 /nfs/dbraw/zinc/26/66/88/780266688.db2.gz KRWZXECKXSFERF-BBBLOLIVSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001220992822 780266692 /nfs/dbraw/zinc/26/66/92/780266692.db2.gz KRWZXECKXSFERF-BBBLOLIVSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001220993125 780266718 /nfs/dbraw/zinc/26/67/18/780266718.db2.gz QWSCOJDQAXREEL-MXWKQRLJSA-N 1 1 323.415 -2.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220992436 780266783 /nfs/dbraw/zinc/26/67/83/780266783.db2.gz AQQGPUCLDSGPRJ-MXWKQRLJSA-N 1 1 321.399 -2.267 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220983413 780267531 /nfs/dbraw/zinc/26/75/31/780267531.db2.gz MLIYWKIAQBZJHG-GDLCADMTSA-N 1 1 324.381 -1.179 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220983413 780267539 /nfs/dbraw/zinc/26/75/39/780267539.db2.gz MLIYWKIAQBZJHG-GDLCADMTSA-N 1 1 324.381 -1.179 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1O ZINC001220992431 780267661 /nfs/dbraw/zinc/26/76/61/780267661.db2.gz AOOYSZAKXIIQNE-AEJSXWLSSA-N 1 1 311.379 -1.555 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221007175 780268657 /nfs/dbraw/zinc/26/86/57/780268657.db2.gz YQBYSNXNSLEKQK-ZDEQEGDKSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001221007017 780269128 /nfs/dbraw/zinc/26/91/28/780269128.db2.gz RQYIVRHIEFKUGK-SRVKXCTJSA-N 1 1 300.403 -1.199 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCC1=O ZINC001221009823 780269394 /nfs/dbraw/zinc/26/93/94/780269394.db2.gz MMPHNMAFPLLLGS-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221046413 780270509 /nfs/dbraw/zinc/27/05/09/780270509.db2.gz MEOZCXOPJGLNSA-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)C1 ZINC001221019949 780270656 /nfs/dbraw/zinc/27/06/56/780270656.db2.gz ACHQTHSVNQYFEB-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO COC(=O)CC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)OC)C(N)=O ZINC001221019432 780270744 /nfs/dbraw/zinc/27/07/44/780270744.db2.gz WIUHODLCRZIFSA-YUMQZZPRSA-N 1 1 303.315 -1.810 20 0 DAADMO COCCC1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CCS(=O)(=O)CC1 ZINC001221025968 780270918 /nfs/dbraw/zinc/27/09/18/780270918.db2.gz OEFONZJDZPELTH-QWRGUYRKSA-N 1 1 319.427 -1.224 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221058459 780271353 /nfs/dbraw/zinc/27/13/53/780271353.db2.gz RLKJHAOYADGAIZ-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](O)C1 ZINC001221057047 780271701 /nfs/dbraw/zinc/27/17/01/780271701.db2.gz VNLPIZYRTFVOFI-UHTWSYAYSA-N 1 1 322.365 -1.647 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221046514 780271871 /nfs/dbraw/zinc/27/18/71/780271871.db2.gz PRINYPGWTZDSEP-NEPJUHHUSA-N 1 1 308.338 -2.035 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221077690 780272414 /nfs/dbraw/zinc/27/24/14/780272414.db2.gz QZGJARNFADFECW-ZJUUUORDSA-N 1 1 302.375 -1.762 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221099383 780274524 /nfs/dbraw/zinc/27/45/24/780274524.db2.gz LFDAVYXTYAHAAO-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221099383 780274526 /nfs/dbraw/zinc/27/45/26/780274526.db2.gz LFDAVYXTYAHAAO-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001221091241 780275534 /nfs/dbraw/zinc/27/55/34/780275534.db2.gz HEUYXXMTZJIFBO-OLZOCXBDSA-N 1 1 310.402 -1.220 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001221091152 780275652 /nfs/dbraw/zinc/27/56/52/780275652.db2.gz DEESQXHIEUVMHB-ZJUUUORDSA-N 1 1 315.374 -2.317 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C(C)C ZINC001221130193 780278295 /nfs/dbraw/zinc/27/82/95/780278295.db2.gz ZOXFBHJEZAMDRQ-MBNYWOFBSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(C)C ZINC001221130193 780278302 /nfs/dbraw/zinc/27/83/02/780278302.db2.gz ZOXFBHJEZAMDRQ-MBNYWOFBSA-N 1 1 301.387 -1.309 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001221135191 780278719 /nfs/dbraw/zinc/27/87/19/780278719.db2.gz BZKRRNNXZIEYJA-UTUOFQBUSA-N 1 1 301.387 -1.165 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171347 780279933 /nfs/dbraw/zinc/27/99/33/780279933.db2.gz QETWLQSOAWDDJS-UTUOFQBUSA-N 1 1 301.387 -1.036 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221159797 780280751 /nfs/dbraw/zinc/28/07/51/780280751.db2.gz VAZDMDNKLBCPLI-UTUOFQBUSA-N 1 1 316.402 -1.243 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189715 780281953 /nfs/dbraw/zinc/28/19/53/780281953.db2.gz HEAHGOXUFQBXHX-RTXFEEFZSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOC(=O)C1(C(=O)N[C@@H](CCC[NH3+])C(=O)OC)CNC1 ZINC001221188389 780281992 /nfs/dbraw/zinc/28/19/92/780281992.db2.gz VKFPGDQADNMURY-VIFPVBQESA-N 1 1 301.343 -1.464 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221184093 780282100 /nfs/dbraw/zinc/28/21/00/780282100.db2.gz QTYWACHWNYVLSX-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CSCNC(C)=O ZINC001221187786 780282420 /nfs/dbraw/zinc/28/24/20/780282420.db2.gz FNWSKEDUMCLOJI-UWVGGRQHSA-N 1 1 320.415 -1.463 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C(C)(C)C ZINC001221182502 780282756 /nfs/dbraw/zinc/28/27/56/780282756.db2.gz YZGNJYJNTGFVMK-GRYCIOLGSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(C)(C)C ZINC001221182502 780282764 /nfs/dbraw/zinc/28/27/64/780282764.db2.gz YZGNJYJNTGFVMK-GRYCIOLGSA-N 1 1 301.387 -1.309 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189931 780283175 /nfs/dbraw/zinc/28/31/75/780283175.db2.gz RJJFCIYCSQTSEB-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001221199991 780283608 /nfs/dbraw/zinc/28/36/08/780283608.db2.gz FTDVNUVSNFLBOG-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221233678 780283708 /nfs/dbraw/zinc/28/37/08/780283708.db2.gz BKUWTWWJUJDFKW-IJLUTSLNSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221233678 780283716 /nfs/dbraw/zinc/28/37/16/780283716.db2.gz BKUWTWWJUJDFKW-IJLUTSLNSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221232218 780284404 /nfs/dbraw/zinc/28/44/04/780284404.db2.gz HJAGCSFWXNXVQW-FRRDWIJNSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221232218 780284414 /nfs/dbraw/zinc/28/44/14/780284414.db2.gz HJAGCSFWXNXVQW-FRRDWIJNSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@@H](O)C1 ZINC001221194732 780284710 /nfs/dbraw/zinc/28/47/10/780284710.db2.gz IHNDYWKWPKAKML-TUAOUCFPSA-N 1 1 301.387 -1.058 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)nn1 ZINC001221189842 780284821 /nfs/dbraw/zinc/28/48/21/780284821.db2.gz NEPURBOOAMFQEC-YUTCNCBUSA-N 1 1 323.397 -1.055 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264757 780287585 /nfs/dbraw/zinc/28/75/85/780287585.db2.gz ZWUINWMKDGOQDU-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264757 780287593 /nfs/dbraw/zinc/28/75/93/780287593.db2.gz ZWUINWMKDGOQDU-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221264528 780287902 /nfs/dbraw/zinc/28/79/02/780287902.db2.gz PFMOMYHPIMUTNJ-GHMZBOCLSA-N 1 1 324.385 -1.787 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221296222 780290108 /nfs/dbraw/zinc/29/01/08/780290108.db2.gz CCJHFFOVNBEFRE-JHJVBQTASA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221296222 780290109 /nfs/dbraw/zinc/29/01/09/780290109.db2.gz CCJHFFOVNBEFRE-JHJVBQTASA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221334023 780290197 /nfs/dbraw/zinc/29/01/97/780290197.db2.gz XZWHYWCITMINHI-BPNCWPANSA-N 1 1 320.393 -1.277 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221502047 780294732 /nfs/dbraw/zinc/29/47/32/780294732.db2.gz XCZXUZLVFIBUFG-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221502047 780294739 /nfs/dbraw/zinc/29/47/39/780294739.db2.gz XCZXUZLVFIBUFG-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 ZINC001221550243 780296060 /nfs/dbraw/zinc/29/60/60/780296060.db2.gz JJEBWPOZTVRKEN-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 ZINC001221550243 780296067 /nfs/dbraw/zinc/29/60/67/780296067.db2.gz JJEBWPOZTVRKEN-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001221522737 780296795 /nfs/dbraw/zinc/29/67/95/780296795.db2.gz LESDEYZBSKLXRT-VXGBXAGGSA-N 1 1 309.370 -1.030 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221508230 780297720 /nfs/dbraw/zinc/29/77/20/780297720.db2.gz MGPZCPHYCHUOKB-QJPTWQEYSA-N 1 1 321.385 -1.132 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001221522977 780297839 /nfs/dbraw/zinc/29/78/39/780297839.db2.gz QIQFNBZDNGQWFM-IJLUTSLNSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221598375 780299210 /nfs/dbraw/zinc/29/92/10/780299210.db2.gz KUBHCEBDNWCFND-GRYCIOLGSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221598375 780299219 /nfs/dbraw/zinc/29/92/19/780299219.db2.gz KUBHCEBDNWCFND-GRYCIOLGSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001221598280 780299637 /nfs/dbraw/zinc/29/96/37/780299637.db2.gz IOLXUBSPTFFXBJ-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001221598280 780299645 /nfs/dbraw/zinc/29/96/45/780299645.db2.gz IOLXUBSPTFFXBJ-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221775241 780300107 /nfs/dbraw/zinc/30/01/07/780300107.db2.gz OEDUMVSJHBIODB-IJLUTSLNSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221770636 780301311 /nfs/dbraw/zinc/30/13/11/780301311.db2.gz VYFXGWIQMKJSHF-DGCLKSJQSA-N 1 1 322.365 -1.075 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221778655 780301478 /nfs/dbraw/zinc/30/14/78/780301478.db2.gz SRCOQMNDJJGKTF-VXGBXAGGSA-N 1 1 319.427 -1.030 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001221779894 780301943 /nfs/dbraw/zinc/30/19/43/780301943.db2.gz ROODIAIFKMVPAX-IJLUTSLNSA-N 1 1 311.382 -1.208 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221839612 780303279 /nfs/dbraw/zinc/30/32/79/780303279.db2.gz ATVAEFXUUOGSGZ-GHMZBOCLSA-N 1 1 320.415 -2.093 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001222000427 780304634 /nfs/dbraw/zinc/30/46/34/780304634.db2.gz HWZKIBKEXDCBEY-CHWSQXEVSA-N 1 1 309.370 -1.180 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221933578 780305392 /nfs/dbraw/zinc/30/53/92/780305392.db2.gz GNHIBZGUVRQTPL-VXGBXAGGSA-N 1 1 309.370 -1.111 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221989159 780305878 /nfs/dbraw/zinc/30/58/78/780305878.db2.gz YPAVVUABUIETNF-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO Cn1cnnc1COCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221910609 780305902 /nfs/dbraw/zinc/30/59/02/780305902.db2.gz LXUMQPAOBGSWKG-VXGBXAGGSA-N 1 1 309.370 -1.143 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001221989143 780305924 /nfs/dbraw/zinc/30/59/24/780305924.db2.gz XQNULPMDCZFICZ-IJLUTSLNSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001221989144 780305981 /nfs/dbraw/zinc/30/59/81/780305981.db2.gz XQNULPMDCZFICZ-QJPTWQEYSA-N 1 1 319.427 -1.209 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001222024599 780307257 /nfs/dbraw/zinc/30/72/57/780307257.db2.gz HLEITXJQPTZHJB-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001222003999 780307633 /nfs/dbraw/zinc/30/76/33/780307633.db2.gz SWDZJEKTIFDTBC-IJLUTSLNSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001222003999 780307640 /nfs/dbraw/zinc/30/76/40/780307640.db2.gz SWDZJEKTIFDTBC-IJLUTSLNSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222110389 780308078 /nfs/dbraw/zinc/30/80/78/780308078.db2.gz BAVALGJNWISKPK-SNVBAGLBSA-N 1 1 309.374 -1.054 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 ZINC001222343346 780308682 /nfs/dbraw/zinc/30/86/82/780308682.db2.gz JBYYAZFVCNLTCT-PWSUYJOCSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C[C@@H]21 ZINC001222343346 780308690 /nfs/dbraw/zinc/30/86/90/780308690.db2.gz JBYYAZFVCNLTCT-PWSUYJOCSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001222257550 780308789 /nfs/dbraw/zinc/30/87/89/780308789.db2.gz LSXPGOIWWOCSFJ-NEPJUHHUSA-N 1 1 321.385 -1.131 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)CNC(N)=O)CC2)nn1 ZINC001222342874 780308864 /nfs/dbraw/zinc/30/88/64/780308864.db2.gz RTMMYDBBBRHESB-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001222235782 780310021 /nfs/dbraw/zinc/31/00/21/780310021.db2.gz KPGGQQJRUNQLTG-AGIUHOORSA-N 1 1 324.385 -1.397 20 0 DAADMO COC(=O)CN1C[C@@H](OCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC001222542476 780310996 /nfs/dbraw/zinc/31/09/96/780310996.db2.gz GCWUZUHLIISFDY-NSHDSACASA-N 1 1 313.354 -1.449 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001222637401 780311877 /nfs/dbraw/zinc/31/18/77/780311877.db2.gz YCZJQZINOQDBAX-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001222637401 780311879 /nfs/dbraw/zinc/31/18/79/780311879.db2.gz YCZJQZINOQDBAX-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001222664726 780313382 /nfs/dbraw/zinc/31/33/82/780313382.db2.gz CJTQNMJBPDXAJD-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001222810466 780313576 /nfs/dbraw/zinc/31/35/76/780313576.db2.gz LZJAVTUVPFKPHB-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001223401622 780315891 /nfs/dbraw/zinc/31/58/91/780315891.db2.gz OBECVXTWLKIGFW-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001223401622 780315892 /nfs/dbraw/zinc/31/58/92/780315892.db2.gz OBECVXTWLKIGFW-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223401160 780316576 /nfs/dbraw/zinc/31/65/76/780316576.db2.gz IIGYRTGZLVWXAN-PWSUYJOCSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCOCCO)c1ccc2nnnn2c1 ZINC001276883350 780316590 /nfs/dbraw/zinc/31/65/90/780316590.db2.gz IFXPXTUVWOFURB-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCOCCO)c1ccc2nnnn2c1 ZINC001276883350 780316594 /nfs/dbraw/zinc/31/65/94/780316594.db2.gz IFXPXTUVWOFURB-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO COCC[N@H+]1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1 ZINC001276891290 780316880 /nfs/dbraw/zinc/31/68/80/780316880.db2.gz RIIFUWQQAWJPCP-WDEREUQCSA-N 1 1 308.342 -1.273 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C(C(=O)NCCn3ccnn3)=NO[C@@H]2C1 ZINC001276891290 780316885 /nfs/dbraw/zinc/31/68/85/780316885.db2.gz RIIFUWQQAWJPCP-WDEREUQCSA-N 1 1 308.342 -1.273 20 0 DAADMO C[C@@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@H]1C[N@H+](C)CCO1 ZINC001223654498 780317767 /nfs/dbraw/zinc/31/77/67/780317767.db2.gz IZCHWOHZFKIFLH-RKDXNWHRSA-N 1 1 311.342 -1.691 20 0 DAADMO C[C@@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@H]1C[N@@H+](C)CCO1 ZINC001223654498 780317772 /nfs/dbraw/zinc/31/77/72/780317772.db2.gz IZCHWOHZFKIFLH-RKDXNWHRSA-N 1 1 311.342 -1.691 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)NC1=O ZINC001276901985 780317938 /nfs/dbraw/zinc/31/79/38/780317938.db2.gz XENPHKXKNQWDSO-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)NC1=O ZINC001276901985 780317945 /nfs/dbraw/zinc/31/79/45/780317945.db2.gz XENPHKXKNQWDSO-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC1 ZINC001276916723 780318315 /nfs/dbraw/zinc/31/83/15/780318315.db2.gz VFBUWJGJPXFQNB-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC1 ZINC001276916723 780318329 /nfs/dbraw/zinc/31/83/29/780318329.db2.gz VFBUWJGJPXFQNB-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001223697848 780318546 /nfs/dbraw/zinc/31/85/46/780318546.db2.gz NVYYOPUBHBICEM-BDAKNGLRSA-N 1 1 321.341 -1.464 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001223697848 780318551 /nfs/dbraw/zinc/31/85/51/780318551.db2.gz NVYYOPUBHBICEM-BDAKNGLRSA-N 1 1 321.341 -1.464 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001224162745 780319457 /nfs/dbraw/zinc/31/94/57/780319457.db2.gz QVJITHKOSJIHBM-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)[nH]1 ZINC001276923937 780319496 /nfs/dbraw/zinc/31/94/96/780319496.db2.gz QNKZGOWOUCCFMV-JTQLQIEISA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)[nH]1 ZINC001276923937 780319499 /nfs/dbraw/zinc/31/94/99/780319499.db2.gz QNKZGOWOUCCFMV-JTQLQIEISA-N 1 1 310.354 -1.073 20 0 DAADMO CS(=O)(=O)CCC[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224313444 780320618 /nfs/dbraw/zinc/32/06/18/780320618.db2.gz YEKSOCJTRLKFCY-UHFFFAOYSA-N 1 1 305.400 -1.265 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)O1 ZINC001276991173 780321828 /nfs/dbraw/zinc/32/18/28/780321828.db2.gz XZJAUTQLKDGVJW-YNXVLUOKSA-N 1 1 300.355 -1.333 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O ZINC001224724543 780322428 /nfs/dbraw/zinc/32/24/28/780322428.db2.gz NGVQLKKFBDRJEE-RKDXNWHRSA-N 1 1 310.362 -1.605 20 0 DAADMO COCC(=O)NC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001225769647 780327706 /nfs/dbraw/zinc/32/77/06/780327706.db2.gz QUNHPABICFDTFS-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225911669 780329127 /nfs/dbraw/zinc/32/91/27/780329127.db2.gz XBULTNNFDOCNBZ-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001225993266 780329531 /nfs/dbraw/zinc/32/95/31/780329531.db2.gz KNRABZCYPUHPSQ-UHFFFAOYSA-N 1 1 321.403 -2.216 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC001226027980 780330713 /nfs/dbraw/zinc/33/07/13/780330713.db2.gz BFLHNLISQPGJCS-UHFFFAOYSA-N 1 1 308.342 -1.341 20 0 DAADMO CS(=O)(=O)CCC[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001225993532 780330809 /nfs/dbraw/zinc/33/08/09/780330809.db2.gz PQNAMYAQEHAUDW-UHFFFAOYSA-N 1 1 320.415 -1.330 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(NC(=O)CS(C)(=O)=O)CC1 ZINC001226351569 780332808 /nfs/dbraw/zinc/33/28/08/780332808.db2.gz FLMCXLAPXNTSOC-LLVKDONJSA-N 1 1 308.400 -1.381 20 0 DAADMO COC(=O)NCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226299444 780332850 /nfs/dbraw/zinc/33/28/50/780332850.db2.gz XIRTVOQYRJDSFK-UHFFFAOYSA-N 1 1 315.330 -1.882 20 0 DAADMO COCCOCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226647939 780334408 /nfs/dbraw/zinc/33/44/08/780334408.db2.gz FRUJGNCVOJPKAC-UHFFFAOYSA-N 1 1 316.358 -1.575 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001226541844 780334486 /nfs/dbraw/zinc/33/44/86/780334486.db2.gz DPPSCFHRFPYZEB-SECBINFHSA-N 1 1 311.342 -1.960 20 0 DAADMO CS(=O)(=O)CCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226732360 780335697 /nfs/dbraw/zinc/33/56/97/780335697.db2.gz OUNGHZZUDVMDKW-UHFFFAOYSA-N 1 1 305.400 -1.123 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC001226707756 780335835 /nfs/dbraw/zinc/33/58/35/780335835.db2.gz HHDGJYCGKZVYTQ-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC001226707682 780336117 /nfs/dbraw/zinc/33/61/17/780336117.db2.gz GRQLUUAVLPQJSO-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@H](C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1)n1cncn1 ZINC001226906658 780337462 /nfs/dbraw/zinc/33/74/62/780337462.db2.gz QESRCHLQOZEPIH-SECBINFHSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1)n1cncn1 ZINC001226906666 780337692 /nfs/dbraw/zinc/33/76/92/780337692.db2.gz QESRCHLQOZEPIH-VIFPVBQESA-N 1 1 323.357 -1.385 20 0 DAADMO CCn1nncc1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227183214 780338881 /nfs/dbraw/zinc/33/88/81/780338881.db2.gz MHVTVOOXNMUZTQ-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC001227192589 780339132 /nfs/dbraw/zinc/33/91/32/780339132.db2.gz RXQLJFCDSGUIPQ-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC001227132244 780339650 /nfs/dbraw/zinc/33/96/50/780339650.db2.gz YGTBHQNZXLJAEW-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)NCCC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001227224157 780339745 /nfs/dbraw/zinc/33/97/45/780339745.db2.gz DTOVQYKSFMLQCR-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227399004 780341341 /nfs/dbraw/zinc/34/13/41/780341341.db2.gz HRTWEDDHWPLMRZ-UHFFFAOYSA-N 1 1 310.318 -2.551 20 0 DAADMO O=C(Cn1ncnn1)NC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001227408799 780341509 /nfs/dbraw/zinc/34/15/09/780341509.db2.gz XSRCRAXXJPQXKC-UHFFFAOYSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCS(=O)(=O)NC)CC1 ZINC001227318754 780341565 /nfs/dbraw/zinc/34/15/65/780341565.db2.gz TUIMPKLAYUKTGX-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO Cn1ccc(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001227258348 780341586 /nfs/dbraw/zinc/34/15/86/780341586.db2.gz PHJIMPFMGVXIRS-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227408096 780341642 /nfs/dbraw/zinc/34/16/42/780341642.db2.gz GWLYEXPCFVZYAJ-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN(C)C(=O)COC)CC1 ZINC001227653658 780342407 /nfs/dbraw/zinc/34/24/07/780342407.db2.gz NQHORXKHOQREMS-UHFFFAOYSA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001227505348 780342774 /nfs/dbraw/zinc/34/27/74/780342774.db2.gz RRKVVPZNWBWJGW-GFCCVEGCSA-N 1 1 320.411 -1.381 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227637845 780342781 /nfs/dbraw/zinc/34/27/81/780342781.db2.gz UWPKUCBUEUYYAY-VIFPVBQESA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)NCCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227662033 780342787 /nfs/dbraw/zinc/34/27/87/780342787.db2.gz RXVRFEYGPDZIOP-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227662031 780342987 /nfs/dbraw/zinc/34/29/87/780342987.db2.gz RXVRFEYGPDZIOP-JTQLQIEISA-N 1 1 314.386 -1.407 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001277218465 780343196 /nfs/dbraw/zinc/34/31/96/780343196.db2.gz RGPYJNXSYWZNRD-QMMMGPOBSA-N 1 1 306.326 -1.609 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CCF)CC1 ZINC001228040059 780345895 /nfs/dbraw/zinc/34/58/95/780345895.db2.gz QQBYHVLYMUNVJE-UHFFFAOYSA-N 1 1 302.350 -1.211 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228457715 780347261 /nfs/dbraw/zinc/34/72/61/780347261.db2.gz YOPPKHNLAKJKRF-UHFFFAOYSA-N 1 1 307.376 -2.894 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001228274377 780347924 /nfs/dbraw/zinc/34/79/24/780347924.db2.gz VWIHWNLNCNDZKP-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228441563 780348091 /nfs/dbraw/zinc/34/80/91/780348091.db2.gz XVTGKEXEZXDCLK-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(NCC1COC1)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]12 ZINC001277303834 780349326 /nfs/dbraw/zinc/34/93/26/780349326.db2.gz OPRNRUCNYHLNHQ-SDDRHHMPSA-N 1 1 322.365 -1.286 20 0 DAADMO O=C(NCC1COC1)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]12 ZINC001277303834 780349336 /nfs/dbraw/zinc/34/93/36/780349336.db2.gz OPRNRUCNYHLNHQ-SDDRHHMPSA-N 1 1 322.365 -1.286 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001277302638 780349413 /nfs/dbraw/zinc/34/94/13/780349413.db2.gz AHUHDCRFNCDEQQ-VYUIOLGVSA-N 1 1 305.342 -1.251 20 0 DAADMO O=C(Nc1nnco1)C1=NO[C@@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]12 ZINC001277302626 780349703 /nfs/dbraw/zinc/34/97/03/780349703.db2.gz ACVPEKLSGIPHIH-HRDYMLBCSA-N 1 1 320.309 -1.027 20 0 DAADMO O=C(Nc1nnco1)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]12 ZINC001277302626 780349708 /nfs/dbraw/zinc/34/97/08/780349708.db2.gz ACVPEKLSGIPHIH-HRDYMLBCSA-N 1 1 320.309 -1.027 20 0 DAADMO C[C@@H](C[NH+]1CCC(NC(=O)C(N)=O)CC1)CS(C)(=O)=O ZINC001228912496 780352558 /nfs/dbraw/zinc/35/25/58/780352558.db2.gz PLFBJWAYQOFVFI-VIFPVBQESA-N 1 1 305.400 -1.267 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228912461 780352724 /nfs/dbraw/zinc/35/27/24/780352724.db2.gz OVUSFUBLOYBAJC-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO CS(=O)(=O)CC1(C[NH+]2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC001228904463 780353078 /nfs/dbraw/zinc/35/30/78/780353078.db2.gz HQNYYCZBFWXOLJ-UHFFFAOYSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CCCS(N)(=O)=O)CC1 ZINC001228911844 780353714 /nfs/dbraw/zinc/35/37/14/780353714.db2.gz IZEAHUSNNGSHMW-UHFFFAOYSA-N 1 1 306.388 -1.879 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001229048847 780353923 /nfs/dbraw/zinc/35/39/23/780353923.db2.gz NTBNDGINJVUMMC-UHFFFAOYSA-N 1 1 312.305 -1.062 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001229199825 780354571 /nfs/dbraw/zinc/35/45/71/780354571.db2.gz FMGOXRYLGUEEIH-BDAKNGLRSA-N 1 1 311.342 -2.117 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001229355633 780356045 /nfs/dbraw/zinc/35/60/45/780356045.db2.gz HBZVSSXOHVQQOD-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001229355722 780356478 /nfs/dbraw/zinc/35/64/78/780356478.db2.gz LHMUSCYYMJLDDC-BDAKNGLRSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001229670591 780358695 /nfs/dbraw/zinc/35/86/95/780358695.db2.gz JWFWRYUMVDRDLD-ZETCQYMHSA-N 1 1 310.314 -1.153 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230159046 780360233 /nfs/dbraw/zinc/36/02/33/780360233.db2.gz COBAHYAVZUDKKA-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001230216411 780361915 /nfs/dbraw/zinc/36/19/15/780361915.db2.gz CDDSXYCTOGTYQW-UHFFFAOYSA-N 1 1 309.374 -1.046 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001230475298 780366696 /nfs/dbraw/zinc/36/66/96/780366696.db2.gz FIFGKNSPTCWADV-SNVBAGLBSA-N 1 1 324.381 -1.244 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C(=O)CNC(N)=O ZINC001230735256 780370850 /nfs/dbraw/zinc/37/08/50/780370850.db2.gz NZZLUMYCFSPKAX-NEPJUHHUSA-N 1 1 324.385 -1.555 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)CNC(N)=O ZINC001230735290 780371065 /nfs/dbraw/zinc/37/10/65/780371065.db2.gz OXSZTGNKPXEUMM-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)CNC(N)=O ZINC001230735290 780371075 /nfs/dbraw/zinc/37/10/75/780371075.db2.gz OXSZTGNKPXEUMM-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C(=O)CNC(N)=O ZINC001230735258 780371117 /nfs/dbraw/zinc/37/11/17/780371117.db2.gz NZZLUMYCFSPKAX-RYUDHWBXSA-N 1 1 324.385 -1.555 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)Cn1cnnn1 ZINC001230748862 780372211 /nfs/dbraw/zinc/37/22/11/780372211.db2.gz KHTXOIIEPSXKCO-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)Cn1cnnn1 ZINC001230748862 780372219 /nfs/dbraw/zinc/37/22/19/780372219.db2.gz KHTXOIIEPSXKCO-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749107 780372775 /nfs/dbraw/zinc/37/27/75/780372775.db2.gz KSUHNYVERYRORE-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749107 780372785 /nfs/dbraw/zinc/37/27/85/780372785.db2.gz KSUHNYVERYRORE-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)Cn1cnnn1 ZINC001230753005 780373960 /nfs/dbraw/zinc/37/39/60/780373960.db2.gz OYSKQEMRMMDOAV-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)Cn1cnnn1 ZINC001230753005 780373965 /nfs/dbraw/zinc/37/39/65/780373965.db2.gz OYSKQEMRMMDOAV-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750256 780374229 /nfs/dbraw/zinc/37/42/29/780374229.db2.gz UGXCSCNAYQKIJW-LBPRGKRZSA-N 1 1 312.374 -1.131 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](CCOCCO)Cc1cccnc1 ZINC001230835466 780375577 /nfs/dbraw/zinc/37/55/77/780375577.db2.gz HIHKZUATTIBVFO-UHFFFAOYSA-N 1 1 324.381 -1.116 20 0 DAADMO NC(=O)C(=O)NCCC[N@H+](Cc1cccnc1)[C@H]1CCNC1=O ZINC001230835746 780375883 /nfs/dbraw/zinc/37/58/83/780375883.db2.gz UVDPDBSPDRTDIG-LBPRGKRZSA-N 1 1 319.365 -1.236 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](Cc1cccnc1)[C@H]1CCNC1=O ZINC001230835746 780375892 /nfs/dbraw/zinc/37/58/92/780375892.db2.gz UVDPDBSPDRTDIG-LBPRGKRZSA-N 1 1 319.365 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)C1=COCCO1 ZINC001277469644 780376433 /nfs/dbraw/zinc/37/64/33/780376433.db2.gz RLMZGZJSXSSBOP-SNVBAGLBSA-N 1 1 301.343 -1.187 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1COC[C@@H]1O ZINC001230968608 780376963 /nfs/dbraw/zinc/37/69/63/780376963.db2.gz VCQMSIXPMBGVOX-VWYCJHECSA-N 1 1 300.359 -1.615 20 0 DAADMO C[N@H+](CCCNC(=O)C(F)F)CC(=O)N1CCNC(=O)C1 ZINC001231028127 780377760 /nfs/dbraw/zinc/37/77/60/780377760.db2.gz YQEWSDWBXGXEAO-UHFFFAOYSA-N 1 1 306.313 -1.352 20 0 DAADMO C[N@@H+](CCCNC(=O)C(F)F)CC(=O)N1CCNC(=O)C1 ZINC001231028127 780377767 /nfs/dbraw/zinc/37/77/67/780377767.db2.gz YQEWSDWBXGXEAO-UHFFFAOYSA-N 1 1 306.313 -1.352 20 0 DAADMO COC[C@@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001230966793 780377990 /nfs/dbraw/zinc/37/79/90/780377990.db2.gz KXPAGPQVELGVNQ-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO COCCC(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001231028109 780378069 /nfs/dbraw/zinc/37/80/69/780378069.db2.gz XURCPJKHEWSUQO-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO COCCC(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001231028109 780378074 /nfs/dbraw/zinc/37/80/74/780378074.db2.gz XURCPJKHEWSUQO-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO Cn1nncc1C(=O)NCCOCC[N@@H+](C)[C@H]1CCNC1=O ZINC001277487402 780379346 /nfs/dbraw/zinc/37/93/46/780379346.db2.gz LWHNVZPJFDCLBB-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231269462 780379656 /nfs/dbraw/zinc/37/96/56/780379656.db2.gz RPUMUQOWPBCDRM-UHFFFAOYSA-N 1 1 316.402 -1.287 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CC(=O)N1CCOCC1 ZINC001231269535 780379701 /nfs/dbraw/zinc/37/97/01/780379701.db2.gz SQIRXFYDVGVRGN-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCOCC[N@@H+](C)[C@H]1CCNC1=O ZINC001277487517 780379856 /nfs/dbraw/zinc/37/98/56/780379856.db2.gz OIERZOOBMAZTGN-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369761 780380670 /nfs/dbraw/zinc/38/06/70/780380670.db2.gz WAASFNINLMJTJS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231369761 780380681 /nfs/dbraw/zinc/38/06/81/780380681.db2.gz WAASFNINLMJTJS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231285742 780381570 /nfs/dbraw/zinc/38/15/70/780381570.db2.gz QRMVWRYXLIRLJN-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001231285508 780381659 /nfs/dbraw/zinc/38/16/59/780381659.db2.gz HDZBMVDZCLTISA-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCOC(=O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231767542 780382691 /nfs/dbraw/zinc/38/26/91/780382691.db2.gz WDOFESDTFZCSCD-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCOCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001277529130 780382733 /nfs/dbraw/zinc/38/27/33/780382733.db2.gz VSXFKLJDGUNTSR-JTQLQIEISA-N 1 1 315.370 -1.515 20 0 DAADMO C[N@@H+](CCOCCNC(=O)Cc1nc[nH]n1)[C@H]1CCCNC1=O ZINC001277535460 780383002 /nfs/dbraw/zinc/38/30/02/780383002.db2.gz KRJAXZGMFLIWSY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)c1cccc(=O)n1C ZINC001277520639 780383136 /nfs/dbraw/zinc/38/31/36/780383136.db2.gz KBVLULDNKDKVSY-UHFFFAOYSA-N 1 1 324.381 -1.191 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)c1cccc(=O)n1C ZINC001277520639 780383145 /nfs/dbraw/zinc/38/31/45/780383145.db2.gz KBVLULDNKDKVSY-UHFFFAOYSA-N 1 1 324.381 -1.191 20 0 DAADMO Cn1cc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(=O)n(C)c1=O ZINC001231770040 780383275 /nfs/dbraw/zinc/38/32/75/780383275.db2.gz BZLPPOFRHKWYPU-UHFFFAOYSA-N 1 1 319.321 -1.157 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)c1cnn(C)n1 ZINC001277527725 780383429 /nfs/dbraw/zinc/38/34/29/780383429.db2.gz AAUQAVBNEBITAR-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)c1cnn(C)n1 ZINC001277527725 780383438 /nfs/dbraw/zinc/38/34/38/780383438.db2.gz AAUQAVBNEBITAR-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO Cn1cc(C[N@H+]2CCN(CC(N)=O)C(C)(C)C2)c(=O)n(C)c1=O ZINC001231770643 780383492 /nfs/dbraw/zinc/38/34/92/780383492.db2.gz QEVKPOYVJQIBIG-UHFFFAOYSA-N 1 1 323.397 -1.535 20 0 DAADMO Cn1ncc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCCNC2=O)n1 ZINC001277528255 780383847 /nfs/dbraw/zinc/38/38/47/780383847.db2.gz KEVLJPVXNWVREI-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001231701748 780384173 /nfs/dbraw/zinc/38/41/73/780384173.db2.gz RXOQGTLAVDTRKT-AWEZNQCLSA-N 1 1 321.337 -1.189 20 0 DAADMO C[NH+](C)CCN1CCO[C@H]2CN(CCS(C)(=O)=O)C[C@@H]21 ZINC001277588854 780385038 /nfs/dbraw/zinc/38/50/38/780385038.db2.gz SFFRIFDNQMWDIQ-STQMWFEESA-N 1 1 305.444 -1.022 20 0 DAADMO COC(=O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231772145 780385055 /nfs/dbraw/zinc/38/50/55/780385055.db2.gz MVFFSDKFXNMSGZ-UHFFFAOYSA-N 1 1 310.354 -1.625 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC001231774057 780385777 /nfs/dbraw/zinc/38/57/77/780385777.db2.gz PBBGLGAKFMWNFT-NSHDSACASA-N 1 1 311.338 -1.152 20 0 DAADMO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CCS(C)(=O)=O ZINC001277589314 780385803 /nfs/dbraw/zinc/38/58/03/780385803.db2.gz ZMLFRIFRNHWXIV-BETUJISGSA-N 1 1 305.444 -1.022 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277631694 780386517 /nfs/dbraw/zinc/38/65/17/780386517.db2.gz LCEZVSZYUKRDFM-UHFFFAOYSA-N 1 1 323.441 -1.534 20 0 DAADMO O=C(NCCOCCC[NH2+][C@@H]1CCCNC1=O)c1cnn[nH]1 ZINC001277603879 780386538 /nfs/dbraw/zinc/38/65/38/780386538.db2.gz LBLCXALHPJCDIT-SNVBAGLBSA-N 1 1 310.358 -1.191 20 0 DAADMO COCCC[N@@H+]1C[C@@H]2C(C(=O)NCC(=O)N(C)C)=NO[C@@H]2C1 ZINC001277695796 780388788 /nfs/dbraw/zinc/38/87/88/780388788.db2.gz RQRVPNJFUFSBIT-WDEREUQCSA-N 1 1 312.370 -1.086 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)CCNS(C)(=O)=O ZINC001233579733 780390762 /nfs/dbraw/zinc/39/07/62/780390762.db2.gz JALWIRSZWLQJDZ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001233580078 780390931 /nfs/dbraw/zinc/39/09/31/780390931.db2.gz MEOUXZFGYYZRMW-MWLCHTKSSA-N 1 1 312.370 -1.246 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001233580629 780391648 /nfs/dbraw/zinc/39/16/48/780391648.db2.gz QCIIAKMBVKIPET-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233721423 780392307 /nfs/dbraw/zinc/39/23/07/780392307.db2.gz DCJBCMVISJWDIR-QMMMGPOBSA-N 1 1 316.362 -2.063 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722764 780392402 /nfs/dbraw/zinc/39/24/02/780392402.db2.gz RWLWIYXCNLYIPL-UHFFFAOYSA-N 1 1 323.419 -1.968 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001233613388 780392441 /nfs/dbraw/zinc/39/24/41/780392441.db2.gz OJHHGFALRAJPQW-QMMMGPOBSA-N 1 1 324.341 -1.183 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCNS(C)(=O)=O ZINC001233751698 780392832 /nfs/dbraw/zinc/39/28/32/780392832.db2.gz VRYCLZAAFLYMEM-UHFFFAOYSA-N 1 1 319.391 -2.340 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)CN1CCOCC1 ZINC001233749812 780393020 /nfs/dbraw/zinc/39/30/20/780393020.db2.gz DBFCLAVADMLPMX-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)CCCNC(=O)Cn2cnnn2)C1=O ZINC001233750996 780393557 /nfs/dbraw/zinc/39/35/57/780393557.db2.gz NKMBQNXOWMYHOL-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233753532 780394779 /nfs/dbraw/zinc/39/47/79/780394779.db2.gz ZMTNTNWGBQHWAB-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233889975 780399947 /nfs/dbraw/zinc/39/99/47/780399947.db2.gz GEJJSDZJSWGBPW-DCAQKATOSA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001233890069 780400318 /nfs/dbraw/zinc/40/03/18/780400318.db2.gz GMOXSJCOIDSQBN-WDEREUQCSA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCn1cncn1 ZINC001233890069 780400324 /nfs/dbraw/zinc/40/03/24/780400324.db2.gz GMOXSJCOIDSQBN-WDEREUQCSA-N 1 1 309.374 -1.132 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001234284930 780405640 /nfs/dbraw/zinc/40/56/40/780405640.db2.gz DTSOUBQKUXXOAQ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234357452 780405669 /nfs/dbraw/zinc/40/56/69/780405669.db2.gz RRJUVINMQMUHBJ-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234357452 780405675 /nfs/dbraw/zinc/40/56/75/780405675.db2.gz RRJUVINMQMUHBJ-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](C)O ZINC001234285669 780406106 /nfs/dbraw/zinc/40/61/06/780406106.db2.gz HSRXNOPGVBPUKS-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001234446662 780408750 /nfs/dbraw/zinc/40/87/50/780408750.db2.gz QWLZTOLURYFNNR-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cnns1)CC(=O)NC(N)=O ZINC001234480889 780408839 /nfs/dbraw/zinc/40/88/39/780408839.db2.gz PCDDTDMEJUNYHX-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413276 780408922 /nfs/dbraw/zinc/40/89/22/780408922.db2.gz IDLJUTZSAZBKJK-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001234512923 780410544 /nfs/dbraw/zinc/41/05/44/780410544.db2.gz PMGPDYMQRXOYAL-MRVPVSSYSA-N 1 1 317.346 -1.636 20 0 DAADMO COC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ncnn1C ZINC001277865566 780410594 /nfs/dbraw/zinc/41/05/94/780410594.db2.gz WRKRMAGWRHPPIO-MNOVXSKESA-N 1 1 323.353 -1.097 20 0 DAADMO COC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ncnn1C ZINC001277865566 780410596 /nfs/dbraw/zinc/41/05/96/780410596.db2.gz WRKRMAGWRHPPIO-MNOVXSKESA-N 1 1 323.353 -1.097 20 0 DAADMO COC(=O)CC[N@@H+]1C[C@@H]2OCCN(C(=O)c3ncnn3C)[C@H]2C1 ZINC001277865568 780410822 /nfs/dbraw/zinc/41/08/22/780410822.db2.gz WRKRMAGWRHPPIO-QWRGUYRKSA-N 1 1 323.353 -1.097 20 0 DAADMO COC(=O)CC[N@H+]1C[C@@H]2OCCN(C(=O)c3ncnn3C)[C@H]2C1 ZINC001277865568 780410828 /nfs/dbraw/zinc/41/08/28/780410828.db2.gz WRKRMAGWRHPPIO-QWRGUYRKSA-N 1 1 323.353 -1.097 20 0 DAADMO C[N@H+](CCCNC(=O)CS(C)(=O)=O)CCn1cncn1 ZINC001234967153 780412204 /nfs/dbraw/zinc/41/22/04/780412204.db2.gz OYCCNKKFWSOBBS-UHFFFAOYSA-N 1 1 303.388 -1.239 20 0 DAADMO C[N@@H+](CCCNC(=O)CS(C)(=O)=O)CCn1cncn1 ZINC001234967153 780412208 /nfs/dbraw/zinc/41/22/08/780412208.db2.gz OYCCNKKFWSOBBS-UHFFFAOYSA-N 1 1 303.388 -1.239 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001234919839 780412303 /nfs/dbraw/zinc/41/23/03/780412303.db2.gz AHUILLPMFGIIHD-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001234975083 780412539 /nfs/dbraw/zinc/41/25/39/780412539.db2.gz QAGMNILCQUEFNU-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235008408 780413658 /nfs/dbraw/zinc/41/36/58/780413658.db2.gz SQIGNPAJFIRNGV-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCOCCO ZINC001235050162 780414911 /nfs/dbraw/zinc/41/49/11/780414911.db2.gz CTNKFZLKOACAFE-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001235050248 780415126 /nfs/dbraw/zinc/41/51/26/780415126.db2.gz DLBHPJVLVPXVFZ-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001235050248 780415127 /nfs/dbraw/zinc/41/51/27/780415127.db2.gz DLBHPJVLVPXVFZ-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H]4COC[C@H](C3)N4)[C@@H](O)[C@@H]2O1 ZINC001235297116 780415354 /nfs/dbraw/zinc/41/53/54/780415354.db2.gz DWFVBNUIOBLHHK-FQIARQCESA-N 1 1 300.355 -1.104 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](CN3C[C@@H]4COC[C@H](C3)[NH2+]4)[C@@H](O)[C@@H]2O1 ZINC001235297116 780415361 /nfs/dbraw/zinc/41/53/61/780415361.db2.gz DWFVBNUIOBLHHK-FQIARQCESA-N 1 1 300.355 -1.104 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1cnn(C)c1 ZINC001235490674 780416354 /nfs/dbraw/zinc/41/63/54/780416354.db2.gz CMUQVZYOXBLZQO-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001235487732 780416400 /nfs/dbraw/zinc/41/64/00/780416400.db2.gz FCJJAKWBHNFUGL-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2OCCN(C(=O)Cn3cccnc3=O)[C@H]2C1 ZINC001277954329 780416497 /nfs/dbraw/zinc/41/64/97/780416497.db2.gz BILDKGVIFPULKE-AVGNSLFASA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2OCCN(C(=O)Cn3cccnc3=O)[C@H]2C1 ZINC001277954326 780416543 /nfs/dbraw/zinc/41/65/43/780416543.db2.gz BILDKGVIFPULKE-AGIUHOORSA-N 1 1 322.365 -1.464 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001235487737 780416892 /nfs/dbraw/zinc/41/68/92/780416892.db2.gz FCJJAKWBHNFUGL-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)c1cc(=O)n(C)cn1 ZINC001235487212 780417215 /nfs/dbraw/zinc/41/72/15/780417215.db2.gz DXSRRHJWPHTCFD-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO NC(=O)[C@@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CCN1 ZINC001235754434 780417972 /nfs/dbraw/zinc/41/79/72/780417972.db2.gz NDBDPVBPRFBCPE-ZDUSSCGKSA-N 1 1 305.382 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cccnc1=O ZINC001277955775 780418986 /nfs/dbraw/zinc/41/89/86/780418986.db2.gz UUPVVDJKOXZMKD-UPJWGTAASA-N 1 1 322.365 -1.464 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCN[C@H](C(N)=O)C3)[C@@H](O)[C@@H]2O1 ZINC001235754867 780419183 /nfs/dbraw/zinc/41/91/83/780419183.db2.gz WEPOJFUMBAZSJI-LIJGXYGRSA-N 1 1 301.343 -2.017 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCC(=O)NC1=O ZINC001235745208 780419235 /nfs/dbraw/zinc/41/92/35/780419235.db2.gz LPJFCUKZVNBELY-ZJUUUORDSA-N 1 1 310.354 -1.492 20 0 DAADMO CN(C)S(=O)(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC001277985843 780421361 /nfs/dbraw/zinc/42/13/61/780421361.db2.gz NBPMIYZQYDMUPY-PHIMTYICSA-N 1 1 304.416 -1.078 20 0 DAADMO C[C@H](CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277999853 780421230 /nfs/dbraw/zinc/42/12/30/780421230.db2.gz XHZOYTFJZDXXDM-SDDRHHMPSA-N 1 1 307.416 -1.194 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)N(C)C ZINC001277999853 780421236 /nfs/dbraw/zinc/42/12/36/780421236.db2.gz XHZOYTFJZDXXDM-SDDRHHMPSA-N 1 1 307.416 -1.194 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001278009674 780421411 /nfs/dbraw/zinc/42/14/11/780421411.db2.gz CAMVJAFYRRDUIG-JTQLQIEISA-N 1 1 322.369 -1.099 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C ZINC001277999897 780421622 /nfs/dbraw/zinc/42/16/22/780421622.db2.gz YDSNCNDFSYSKPV-TUAOUCFPSA-N 1 1 307.416 -1.194 20 0 DAADMO C[C@H](CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2S(=O)(=O)N(C)C ZINC001277999897 780421626 /nfs/dbraw/zinc/42/16/26/780421626.db2.gz YDSNCNDFSYSKPV-TUAOUCFPSA-N 1 1 307.416 -1.194 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CN(S(=O)(=O)N(C)C)C2)CC1 ZINC001278012426 780422973 /nfs/dbraw/zinc/42/29/73/780422973.db2.gz CNXSUHHOCLWZPW-UHFFFAOYSA-N 1 1 304.416 -1.063 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C1CC=CC1)N1CCNC(=O)C1 ZINC001278060992 780425286 /nfs/dbraw/zinc/42/52/86/780425286.db2.gz HPIVGMJYJRNJJC-LBPRGKRZSA-N 1 1 324.381 -2.022 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCNC2=O)n1 ZINC001278099432 780426957 /nfs/dbraw/zinc/42/69/57/780426957.db2.gz KPRFZRDJPPXMGX-VXGBXAGGSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCNC2=O)n1 ZINC001278099429 780427659 /nfs/dbraw/zinc/42/76/59/780427659.db2.gz KPRFZRDJPPXMGX-NEPJUHHUSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCNC2=O)n1 ZINC001278099431 780427972 /nfs/dbraw/zinc/42/79/72/780427972.db2.gz KPRFZRDJPPXMGX-RYUDHWBXSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)C(=O)Nc1ccccc1 ZINC001278106364 780428414 /nfs/dbraw/zinc/42/84/14/780428414.db2.gz XNJXOEBSSGZZLY-VXGBXAGGSA-N 1 1 320.349 -1.420 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278105962 780428492 /nfs/dbraw/zinc/42/84/92/780428492.db2.gz QJNNVWITZMOJSI-QMMMGPOBSA-N 1 1 324.328 -2.041 20 0 DAADMO C[NH+]1CCN(c2cc([N-]S(=O)(=O)CC[NH3+])ncn2)CC1 ZINC001237492877 780428992 /nfs/dbraw/zinc/42/89/92/780428992.db2.gz HJDUJEOIECONDW-UHFFFAOYSA-N 1 1 300.388 -1.071 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]CCO[C@H]1CC1(F)F)c1cnn[nH]1 ZINC001278105753 780429119 /nfs/dbraw/zinc/42/91/19/780429119.db2.gz NRQOBADSKYTQTF-CBAPKCEASA-N 1 1 305.285 -1.091 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278105961 780429365 /nfs/dbraw/zinc/42/93/65/780429365.db2.gz QJNNVWITZMOJSI-MRVPVSSYSA-N 1 1 324.328 -2.041 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)C(=O)Nc1ccccc1 ZINC001278106363 780429581 /nfs/dbraw/zinc/42/95/81/780429581.db2.gz XNJXOEBSSGZZLY-RYUDHWBXSA-N 1 1 320.349 -1.420 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001278128167 780431000 /nfs/dbraw/zinc/43/10/00/780431000.db2.gz GOUJAMPDPNSPOP-WDEREUQCSA-N 1 1 310.354 -1.060 20 0 DAADMO CC(C)(C)CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001278145648 780431209 /nfs/dbraw/zinc/43/12/09/780431209.db2.gz BDQHWQPYJCZMCR-SECBINFHSA-N 1 1 302.375 -1.909 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278155114 780431865 /nfs/dbraw/zinc/43/18/65/780431865.db2.gz MNSDYJZQWAUIMS-IAQYHMDHSA-N 1 1 321.381 -1.122 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001278146534 780431964 /nfs/dbraw/zinc/43/19/64/780431964.db2.gz HCMXPXCJETYINC-ZETCQYMHSA-N 1 1 321.259 -1.453 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001278171788 780433510 /nfs/dbraw/zinc/43/35/10/780433510.db2.gz MMMWIYVZBGXQJD-GFCCVEGCSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(NC[C@H](CO)N[C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001278178391 780433546 /nfs/dbraw/zinc/43/35/46/780433546.db2.gz FSBCHLVYMMJIRJ-MNOVXSKESA-N 1 1 324.381 -2.046 20 0 DAADMO O=C(NC[C@@H](CO)N[C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001278178393 780433690 /nfs/dbraw/zinc/43/36/90/780433690.db2.gz FSBCHLVYMMJIRJ-WDEREUQCSA-N 1 1 324.381 -2.046 20 0 DAADMO O=C1CCC[C@]2(CNCCN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C2)N1 ZINC001239045393 780441386 /nfs/dbraw/zinc/44/13/86/780441386.db2.gz GZXWIDMERUWNGV-DGCLKSJQSA-N 1 1 316.427 -1.378 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C(=O)NCC1CC1 ZINC001278307791 780444872 /nfs/dbraw/zinc/44/48/72/780444872.db2.gz HTWCCEXDJALMJC-GXSJLCMTSA-N 1 1 321.385 -1.185 20 0 DAADMO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CN1 ZINC001246134463 780450911 /nfs/dbraw/zinc/45/09/11/780450911.db2.gz RAJVCGSNJMOGDS-GARJFASQSA-N 1 1 317.411 -1.601 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CCN1 ZINC001246140922 780450976 /nfs/dbraw/zinc/45/09/76/780450976.db2.gz HCMCGVUOMJDDKX-VWYCJHECSA-N 1 1 317.411 -1.601 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246481802 780453838 /nfs/dbraw/zinc/45/38/38/780453838.db2.gz HWRRYDOQAAJAGV-NAKRPEOUSA-N 1 1 314.386 -1.506 20 0 DAADMO COC(=O)[C@H](N)CC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246334698 780453986 /nfs/dbraw/zinc/45/39/86/780453986.db2.gz PBWNNFRQJBSADD-AXFHLTTASA-N 1 1 316.427 -1.270 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CN1 ZINC001246493760 780454087 /nfs/dbraw/zinc/45/40/87/780454087.db2.gz UAUXQJJYDQMDKG-SFYZADRCSA-N 1 1 315.330 -3.803 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001278444624 780454468 /nfs/dbraw/zinc/45/44/68/780454468.db2.gz ULOLHWWNAHUARB-AWEZNQCLSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001278444624 780454472 /nfs/dbraw/zinc/45/44/72/780454472.db2.gz ULOLHWWNAHUARB-AWEZNQCLSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278450599 780454528 /nfs/dbraw/zinc/45/45/28/780454528.db2.gz RIJJKUXSLBRKOO-XPTSAGLGSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278450599 780454532 /nfs/dbraw/zinc/45/45/32/780454532.db2.gz RIJJKUXSLBRKOO-XPTSAGLGSA-N 1 1 310.354 -1.634 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246481804 780454600 /nfs/dbraw/zinc/45/46/00/780454600.db2.gz HWRRYDOQAAJAGV-VLEAKVRGSA-N 1 1 314.386 -1.506 20 0 DAADMO C[C@@H]1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1 ZINC001246522396 780455586 /nfs/dbraw/zinc/45/55/86/780455586.db2.gz CIIPMTKXBIPVLC-IXAOELMOSA-N 1 1 304.387 -1.439 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246627557 780455687 /nfs/dbraw/zinc/45/56/87/780455687.db2.gz NAVVWFIBKUZQIK-WQGACYEGSA-N 1 1 322.409 -1.309 20 0 DAADMO NC(=O)[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCN1 ZINC001246798202 780456861 /nfs/dbraw/zinc/45/68/61/780456861.db2.gz SQVFWSDIWZEHCD-OUAUKWLOSA-N 1 1 313.427 -1.991 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001246757566 780457133 /nfs/dbraw/zinc/45/71/33/780457133.db2.gz CEIGBTVOIPXTJF-SLEUVZQESA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CC(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001278506673 780461580 /nfs/dbraw/zinc/46/15/80/780461580.db2.gz TZILCIXOVOQPGB-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC001252057975 780468829 /nfs/dbraw/zinc/46/88/29/780468829.db2.gz SSIZWAIUNVDMNH-DZGCQCFKSA-N 1 1 315.414 -1.500 20 0 DAADMO O=C([C@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1)N1CCOCC1 ZINC001252059508 780469118 /nfs/dbraw/zinc/46/91/18/780469118.db2.gz ZCGOVQDPQSJJJA-OCCSQVGLSA-N 1 1 324.381 -1.473 20 0 DAADMO O=C([C@H]1Cn2nccc2C[N@@H+](C[C@H](O)CO)C1)N1CCOCC1 ZINC001252059508 780469123 /nfs/dbraw/zinc/46/91/23/780469123.db2.gz ZCGOVQDPQSJJJA-OCCSQVGLSA-N 1 1 324.381 -1.473 20 0 DAADMO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@H](O)CO)O1)N1CCOCC1 ZINC001252059231 780469322 /nfs/dbraw/zinc/46/93/22/780469322.db2.gz SGPPKNUVOYYKIZ-UMSGYPCISA-N 1 1 300.355 -1.570 20 0 DAADMO CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC001252057028 780469420 /nfs/dbraw/zinc/46/94/20/780469420.db2.gz AHZPZZRLEDJTST-SCRDCRAPSA-N 1 1 302.371 -1.274 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001252412978 780470352 /nfs/dbraw/zinc/47/03/52/780470352.db2.gz ASSWBRXUMJBLPY-UTUOFQBUSA-N 1 1 308.338 -1.100 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001252412978 780470355 /nfs/dbraw/zinc/47/03/55/780470355.db2.gz ASSWBRXUMJBLPY-UTUOFQBUSA-N 1 1 308.338 -1.100 20 0 DAADMO NS(=O)(=O)CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001252416932 780470591 /nfs/dbraw/zinc/47/05/91/780470591.db2.gz BJAYAOAIFKHZQX-GHMZBOCLSA-N 1 1 320.415 -1.173 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252421975 780472304 /nfs/dbraw/zinc/47/23/04/780472304.db2.gz MYXWOSLTLLFGDE-OCCSQVGLSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252421975 780472307 /nfs/dbraw/zinc/47/23/07/780472307.db2.gz MYXWOSLTLLFGDE-OCCSQVGLSA-N 1 1 316.354 -1.530 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001252815037 780473415 /nfs/dbraw/zinc/47/34/15/780473415.db2.gz LHKLFDQNGXHXRU-KBPBESRZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@]2(C1)COCCN(C(C)=O)C2 ZINC001252815037 780473421 /nfs/dbraw/zinc/47/34/21/780473421.db2.gz LHKLFDQNGXHXRU-KBPBESRZSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cc[n+]([O-])cc1 ZINC001278717918 780474353 /nfs/dbraw/zinc/47/43/53/780474353.db2.gz AULZDQMQRNQWLO-ZDUSSCGKSA-N 1 1 320.353 -1.329 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(N2C(=O)N[C@@H](CO)C2=O)CC1 ZINC000349225434 780474552 /nfs/dbraw/zinc/47/45/52/780474552.db2.gz BREQOUUGIYDVHT-NSHDSACASA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)n[nH]1 ZINC001278730851 780476575 /nfs/dbraw/zinc/47/65/75/780476575.db2.gz HIAJBIQLXDHSOB-NSHDSACASA-N 1 1 324.385 -1.234 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752850 780478636 /nfs/dbraw/zinc/47/86/36/780478636.db2.gz OSTWRDUBPHOIEA-HNNXBMFYSA-N 1 1 322.365 -1.425 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752850 780478641 /nfs/dbraw/zinc/47/86/41/780478641.db2.gz OSTWRDUBPHOIEA-HNNXBMFYSA-N 1 1 322.365 -1.425 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2C(=O)CCC2=O)C1)C(F)F ZINC001278752862 780478717 /nfs/dbraw/zinc/47/87/17/780478717.db2.gz PBOITNABAWOKQE-CYBMUJFWSA-N 1 1 319.308 -1.047 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278752854 780479128 /nfs/dbraw/zinc/47/91/28/780479128.db2.gz OUTBZONQOQHWOV-HZMBPMFUSA-N 1 1 313.354 -1.619 20 0 DAADMO CC[NH+](CC)Cc1cn([C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1 ZINC001254113600 780482447 /nfs/dbraw/zinc/48/24/47/780482447.db2.gz BGXCIRCVSHMZFB-SYLRKERUSA-N 1 1 316.358 -1.908 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766732 780483660 /nfs/dbraw/zinc/48/36/60/780483660.db2.gz MLLARRQQRQLLNC-OAHLLOKOSA-N 1 1 323.397 -1.072 20 0 DAADMO COc1nccc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766255 780483784 /nfs/dbraw/zinc/48/37/84/780483784.db2.gz INYHOGAHVVNWME-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO COc1nccc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766255 780483791 /nfs/dbraw/zinc/48/37/91/780483791.db2.gz INYHOGAHVVNWME-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO NC(=O)NCCCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001278789712 780487480 /nfs/dbraw/zinc/48/74/80/780487480.db2.gz BMFWTGFIQZJGBA-CYBMUJFWSA-N 1 1 302.375 -1.630 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278787396 780487826 /nfs/dbraw/zinc/48/78/26/780487826.db2.gz REEICGHKBGMEPJ-LKFCYVNXSA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCCN(C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001254514071 780487941 /nfs/dbraw/zinc/48/79/41/780487941.db2.gz IYPWQAOHUUSWPK-JRULLXGZSA-N 1 1 318.414 -1.096 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001278792160 780489085 /nfs/dbraw/zinc/48/90/85/780489085.db2.gz RHLWNSCMJRLUPA-LLVKDONJSA-N 1 1 324.385 -1.242 20 0 DAADMO CCOCCC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278800265 780490049 /nfs/dbraw/zinc/49/00/49/780490049.db2.gz LSXNIPPQPISCQW-ZDUSSCGKSA-N 1 1 312.374 -1.197 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001278800677 780490175 /nfs/dbraw/zinc/49/01/75/780490175.db2.gz PMHZFDFSCQLKGP-CQSZACIVSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001278800677 780490182 /nfs/dbraw/zinc/49/01/82/780490182.db2.gz PMHZFDFSCQLKGP-CQSZACIVSA-N 1 1 312.370 -1.917 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001278799801 780490721 /nfs/dbraw/zinc/49/07/21/780490721.db2.gz GVEJWFGDBKTISP-CQSZACIVSA-N 1 1 310.354 -1.027 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800804 780490998 /nfs/dbraw/zinc/49/09/98/780490998.db2.gz QDDJOVCRNKNIIK-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800804 780491001 /nfs/dbraw/zinc/49/10/01/780491001.db2.gz QDDJOVCRNKNIIK-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278801336 780491192 /nfs/dbraw/zinc/49/11/92/780491192.db2.gz XCYHIWYTQLONFX-GFCCVEGCSA-N 1 1 321.399 -2.151 20 0 DAADMO CCS(=O)(=O)CCC[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278801336 780491196 /nfs/dbraw/zinc/49/11/96/780491196.db2.gz XCYHIWYTQLONFX-GFCCVEGCSA-N 1 1 321.399 -2.151 20 0 DAADMO COCCC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001278799507 780491206 /nfs/dbraw/zinc/49/12/06/780491206.db2.gz COVXRWIERAPOOZ-CQSZACIVSA-N 1 1 310.354 -1.027 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1=O ZINC001278815556 780492567 /nfs/dbraw/zinc/49/25/67/780492567.db2.gz GLQSMDFPEJOKOE-OAHLLOKOSA-N 1 1 324.381 -1.157 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)Cc1ncn[nH]1 ZINC001278823807 780493304 /nfs/dbraw/zinc/49/33/04/780493304.db2.gz RTCVEXIHNKSPGX-JTQLQIEISA-N 1 1 308.346 -1.952 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278851583 780496041 /nfs/dbraw/zinc/49/60/41/780496041.db2.gz VAGIGLBVVKJJOL-KOLCDFICSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278851583 780496045 /nfs/dbraw/zinc/49/60/45/780496045.db2.gz VAGIGLBVVKJJOL-KOLCDFICSA-N 1 1 314.386 -1.720 20 0 DAADMO COCCCCN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278850726 780496879 /nfs/dbraw/zinc/49/68/79/780496879.db2.gz IGILOCCNUXBKCM-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO COCCCCN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278850726 780496882 /nfs/dbraw/zinc/49/68/82/780496882.db2.gz IGILOCCNUXBKCM-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278850055 780496979 /nfs/dbraw/zinc/49/69/79/780496979.db2.gz NFWSTVGPKMFNMO-QMMMGPOBSA-N 1 1 314.346 -2.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO[C@@H]1CC1(F)F)C(=O)C(N)=O ZINC001278868415 780499523 /nfs/dbraw/zinc/49/95/23/780499523.db2.gz BFOZEFZAAVULJQ-RKDXNWHRSA-N 1 1 309.313 -1.353 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001255596679 780500288 /nfs/dbraw/zinc/50/02/88/780500288.db2.gz UUDANYXUTISXHR-USZNOCQGSA-N 1 1 312.418 -1.012 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)C1(C(N)=O)CC1 ZINC001278873266 780500960 /nfs/dbraw/zinc/50/09/60/780500960.db2.gz DZLAKXGGWLRKQJ-LLVKDONJSA-N 1 1 324.385 -1.705 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001255525604 780501045 /nfs/dbraw/zinc/50/10/45/780501045.db2.gz NWAXDZQSWVYRJU-UHFFFAOYSA-N 1 1 322.369 -1.141 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1C(=O)CN(C)C1=O ZINC001278882582 780501646 /nfs/dbraw/zinc/50/16/46/780501646.db2.gz KACNMKYKRXFSFJ-JTQLQIEISA-N 1 1 316.358 -2.376 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001278883522 780503764 /nfs/dbraw/zinc/50/37/64/780503764.db2.gz YXZQUAWNGXVLHE-QWRGUYRKSA-N 1 1 315.370 -1.733 20 0 DAADMO O=C(NCC1(O)C[NH+](CCCCCF)C1)[C@H]1CNC(=O)N1 ZINC001278900339 780506846 /nfs/dbraw/zinc/50/68/46/780506846.db2.gz QYMCTJJDZXWSKG-SNVBAGLBSA-N 1 1 302.350 -1.030 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(c3ncccn3)CC2)[C@@H]2NCN[C@@H]21 ZINC001256053997 780506878 /nfs/dbraw/zinc/50/68/78/780506878.db2.gz MCAJAJAWKQTREC-UPJWGTAASA-N 1 1 304.402 -1.562 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278927469 780507816 /nfs/dbraw/zinc/50/78/16/780507816.db2.gz UFPODOPZIDHRBT-UHFFFAOYSA-N 1 1 314.342 -2.262 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001256204379 780508134 /nfs/dbraw/zinc/50/81/34/780508134.db2.gz CQWODUZKHIOCOL-LBPRGKRZSA-N 1 1 318.399 -1.058 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCn1cccn1 ZINC001257009277 780511801 /nfs/dbraw/zinc/51/18/01/780511801.db2.gz PKUXGWKVPFLURK-CYBMUJFWSA-N 1 1 322.413 -1.249 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC001257051489 780512210 /nfs/dbraw/zinc/51/22/10/780512210.db2.gz UXWSKTPOTNCKDU-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCC(=O)N(C)C ZINC001257213459 780512729 /nfs/dbraw/zinc/51/27/29/780512729.db2.gz NVFUZJFAUXNOQJ-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1C[N@H+](C)CCO1 ZINC001257292855 780513077 /nfs/dbraw/zinc/51/30/77/780513077.db2.gz WTMMSVHJRYUTLU-QJPTWQEYSA-N 1 1 315.370 -1.647 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1C[N@@H+](C)CCO1 ZINC001257292855 780513078 /nfs/dbraw/zinc/51/30/78/780513078.db2.gz WTMMSVHJRYUTLU-QJPTWQEYSA-N 1 1 315.370 -1.647 20 0 DAADMO CS(=O)(=O)N1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001257230861 780513108 /nfs/dbraw/zinc/51/31/08/780513108.db2.gz JVTCIPXAYJFGSH-DCAQKATOSA-N 1 1 304.420 -2.597 20 0 DAADMO O=C(CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)NCC1CC1 ZINC001257472590 780514410 /nfs/dbraw/zinc/51/44/10/780514410.db2.gz MMDGCJBJOXMYNS-NSHDSACASA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001257382975 780514996 /nfs/dbraw/zinc/51/49/96/780514996.db2.gz PYHVJFNPMDIBFA-LLVKDONJSA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001257382975 780515002 /nfs/dbraw/zinc/51/50/02/780515002.db2.gz PYHVJFNPMDIBFA-LLVKDONJSA-N 1 1 317.411 -1.158 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC001257605105 780516047 /nfs/dbraw/zinc/51/60/47/780516047.db2.gz VWPLQLFXJXZGME-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)C1CC1 ZINC001257791940 780516292 /nfs/dbraw/zinc/51/62/92/780516292.db2.gz NVYMWDONQCYGNE-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001257581425 780516344 /nfs/dbraw/zinc/51/63/44/780516344.db2.gz NLHKZKJNGSWPQH-NEPJUHHUSA-N 1 1 322.369 -1.626 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC001257604416 780516420 /nfs/dbraw/zinc/51/64/20/780516420.db2.gz PLRJFMZORWMSQW-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258412924 780520836 /nfs/dbraw/zinc/52/08/36/780520836.db2.gz CZDCVNMMTUPWLO-CYBMUJFWSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258412924 780520844 /nfs/dbraw/zinc/52/08/44/780520844.db2.gz CZDCVNMMTUPWLO-CYBMUJFWSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC001258384862 780521132 /nfs/dbraw/zinc/52/11/32/780521132.db2.gz ZCOMGQZCYOHAOX-YNEHKIRRSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001299566274 780525058 /nfs/dbraw/zinc/52/50/58/780525058.db2.gz YMEZTVZJYHZAQB-RYUDHWBXSA-N 1 1 324.381 -1.160 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(S(N)(=O)=O)CC[C@@H]2C1 ZINC001260077724 780528839 /nfs/dbraw/zinc/52/88/39/780528839.db2.gz VKYHRXXEEGLGBC-GHMZBOCLSA-N 1 1 320.415 -1.699 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(S(N)(=O)=O)CC[C@@H]2C1 ZINC001260077724 780528844 /nfs/dbraw/zinc/52/88/44/780528844.db2.gz VKYHRXXEEGLGBC-GHMZBOCLSA-N 1 1 320.415 -1.699 20 0 DAADMO CS(=O)(=O)CS(=O)(=O)NCCC[NH+](CCO)CCO ZINC001260593872 780532487 /nfs/dbraw/zinc/53/24/87/780532487.db2.gz DXXIKYIBGHZMRC-UHFFFAOYSA-N 1 1 318.417 -2.415 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ncnn1C ZINC001261191157 780539606 /nfs/dbraw/zinc/53/96/06/780539606.db2.gz WOGVOFCADSBAIK-JTQLQIEISA-N 1 1 312.374 -1.313 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(O)C2)C[C@H](C)[N@H+]1CCO ZINC001261328695 780541287 /nfs/dbraw/zinc/54/12/87/780541287.db2.gz NKTILWSMRCVAKG-ZOWXZIJZSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(O)C2)C[C@H](C)[N@@H+]1CCO ZINC001261328695 780541294 /nfs/dbraw/zinc/54/12/94/780541294.db2.gz NKTILWSMRCVAKG-ZOWXZIJZSA-N 1 1 313.398 -1.117 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[NH2+][C@]2(C(N)=O)CCOC2)cn1 ZINC001261545790 780548177 /nfs/dbraw/zinc/54/81/77/780548177.db2.gz NIWTZDNDUVQQMS-LLVKDONJSA-N 1 1 317.371 -2.068 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554717 780548498 /nfs/dbraw/zinc/54/84/98/780548498.db2.gz LILZVROAGFZQMS-MROQNXINSA-N 1 1 310.398 -1.480 20 0 DAADMO Cc1nn(CC(=O)NCCC[NH+]2CCN(C)CC2)c(=O)n1C ZINC001261546374 780548538 /nfs/dbraw/zinc/54/85/38/780548538.db2.gz FNJULIZWLDKCEX-UHFFFAOYSA-N 1 1 310.402 -1.356 20 0 DAADMO CS(=O)(=O)CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261546702 780548902 /nfs/dbraw/zinc/54/89/02/780548902.db2.gz OUFPONQNIVPJNJ-WDEREUQCSA-N 1 1 305.400 -1.119 20 0 DAADMO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001261554346 780549045 /nfs/dbraw/zinc/54/90/45/780549045.db2.gz BLWDRCUCTNRZPN-FRRDWIJNSA-N 1 1 310.398 -1.620 20 0 DAADMO C[C@H](CO)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261563471 780549679 /nfs/dbraw/zinc/54/96/79/780549679.db2.gz JQSWNOBYDMFFKA-RWMBFGLXSA-N 1 1 313.398 -1.211 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC001261623774 780550812 /nfs/dbraw/zinc/55/08/12/780550812.db2.gz GSWQTDQWNPROBY-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001261644295 780552912 /nfs/dbraw/zinc/55/29/12/780552912.db2.gz WXNJZZQVXKKQQQ-NWDGAFQWSA-N 1 1 300.403 -1.124 20 0 DAADMO CN(Cc1cn(C)nn1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001261678251 780554411 /nfs/dbraw/zinc/55/44/11/780554411.db2.gz QYXNXZRPSWOPIQ-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO COC(=O)CN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC001262015283 780565387 /nfs/dbraw/zinc/56/53/87/780565387.db2.gz HVCJGYGQKINILE-UHFFFAOYSA-N 1 1 302.331 -1.028 20 0 DAADMO C[C@H]1CN(CCc2nnnn2C)CCN1CCc1nnnn1C ZINC001262013774 780565563 /nfs/dbraw/zinc/56/55/63/780565563.db2.gz MIAKQNSCFDUSQN-NSHDSACASA-N 1 1 320.405 -1.475 20 0 DAADMO C[C@H]1CN(CCc2nnnn2C)CC[N@@H+]1CCc1nnnn1C ZINC001262013774 780565573 /nfs/dbraw/zinc/56/55/73/780565573.db2.gz MIAKQNSCFDUSQN-NSHDSACASA-N 1 1 320.405 -1.475 20 0 DAADMO C[C@H]1CN(CCc2nnnn2C)CC[N@H+]1CCc1nnnn1C ZINC001262013774 780565581 /nfs/dbraw/zinc/56/55/81/780565581.db2.gz MIAKQNSCFDUSQN-NSHDSACASA-N 1 1 320.405 -1.475 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCS(C)(=O)=O ZINC001262119899 780566863 /nfs/dbraw/zinc/56/68/63/780566863.db2.gz MXZCVUDKWRNNFZ-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCS(C)(=O)=O ZINC001262119899 780566868 /nfs/dbraw/zinc/56/68/68/780566868.db2.gz MXZCVUDKWRNNFZ-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCS(C)(=O)=O ZINC001262119900 780567134 /nfs/dbraw/zinc/56/71/34/780567134.db2.gz MXZCVUDKWRNNFZ-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCS(C)(=O)=O ZINC001262119900 780567135 /nfs/dbraw/zinc/56/71/35/780567135.db2.gz MXZCVUDKWRNNFZ-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CN(CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)S(C)(=O)=O ZINC001262250422 780569158 /nfs/dbraw/zinc/56/91/58/780569158.db2.gz UVBPUIMKBZJQFG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)S(C)(=O)=O ZINC001262250422 780569163 /nfs/dbraw/zinc/56/91/63/780569163.db2.gz UVBPUIMKBZJQFG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)S(C)(=O)=O ZINC001262250421 780569705 /nfs/dbraw/zinc/56/97/05/780569705.db2.gz UVBPUIMKBZJQFG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)S(C)(=O)=O ZINC001262250421 780569708 /nfs/dbraw/zinc/56/97/08/780569708.db2.gz UVBPUIMKBZJQFG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001262300048 780570395 /nfs/dbraw/zinc/57/03/95/780570395.db2.gz BSHRBUZKQXJUHE-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001262300048 780570405 /nfs/dbraw/zinc/57/04/05/780570405.db2.gz BSHRBUZKQXJUHE-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO COCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001262490595 780571906 /nfs/dbraw/zinc/57/19/06/780571906.db2.gz ZTJWBQDUMGIRGF-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO COCC[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001262490595 780571915 /nfs/dbraw/zinc/57/19/15/780571915.db2.gz ZTJWBQDUMGIRGF-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC001262520102 780573459 /nfs/dbraw/zinc/57/34/59/780573459.db2.gz FRRDNLQSPDPJGR-QMMMGPOBSA-N 1 1 323.296 -1.513 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cn1 ZINC001262730292 780575248 /nfs/dbraw/zinc/57/52/48/780575248.db2.gz PYGBLBMRXBHRIH-JTQLQIEISA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001262730293 780575683 /nfs/dbraw/zinc/57/56/83/780575683.db2.gz PYGBLBMRXBHRIH-SNVBAGLBSA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000380535146 780577967 /nfs/dbraw/zinc/57/79/67/780577967.db2.gz UVILBHQEKSEQKJ-UHFFFAOYSA-N 1 1 308.404 -2.091 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001263818902 780579384 /nfs/dbraw/zinc/57/93/84/780579384.db2.gz JCBXAFFLJNIAFB-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001263876385 780580664 /nfs/dbraw/zinc/58/06/64/780580664.db2.gz DCMJCSDHLKENOZ-XYPYZODXSA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001264108749 780581412 /nfs/dbraw/zinc/58/14/12/780581412.db2.gz SMUUSXVMCJKXQO-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001264108749 780581416 /nfs/dbraw/zinc/58/14/16/780581416.db2.gz SMUUSXVMCJKXQO-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001264106025 780581899 /nfs/dbraw/zinc/58/18/99/780581899.db2.gz KNJIKXMHOOPMDV-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(=O)NCC(F)F ZINC001264365526 780583051 /nfs/dbraw/zinc/58/30/51/780583051.db2.gz ZKDXWHNIIGQREY-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(=O)NCC(F)F ZINC001264365526 780583058 /nfs/dbraw/zinc/58/30/58/780583058.db2.gz ZKDXWHNIIGQREY-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO COCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001264380480 780584442 /nfs/dbraw/zinc/58/44/42/780584442.db2.gz KEKRNUZRGYRZLO-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)c1ccc(=O)n(C)n1 ZINC001264378417 780584709 /nfs/dbraw/zinc/58/47/09/780584709.db2.gz JEJRFLFRSYSXSU-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001264393713 780584730 /nfs/dbraw/zinc/58/47/30/780584730.db2.gz IWTPOHZHPWUWDI-DTORHVGOSA-N 1 1 309.374 -1.294 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001299742674 780585790 /nfs/dbraw/zinc/58/57/90/780585790.db2.gz SLCPBTMYCAATEE-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001264632515 780586605 /nfs/dbraw/zinc/58/66/05/780586605.db2.gz MPTIBAKPNNKPLQ-OLZOCXBDSA-N 1 1 313.398 -1.210 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001264975957 780587945 /nfs/dbraw/zinc/58/79/45/780587945.db2.gz LVRGOLZLTCMMED-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001264756569 780588090 /nfs/dbraw/zinc/58/80/90/780588090.db2.gz UEOMBRCQQYXUDG-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCNC1=O ZINC001264666249 780588161 /nfs/dbraw/zinc/58/81/61/780588161.db2.gz JPABIDNAJWQJEE-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001264973593 780588330 /nfs/dbraw/zinc/58/83/30/780588330.db2.gz CPOGXEVMFSOHGX-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1nnc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001264974807 780588646 /nfs/dbraw/zinc/58/86/46/780588646.db2.gz NAUZOIUCECDULI-SNVBAGLBSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1nc[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC001264974807 780588651 /nfs/dbraw/zinc/58/86/51/780588651.db2.gz NAUZOIUCECDULI-SNVBAGLBSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1nc[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC001264974807 780588658 /nfs/dbraw/zinc/58/86/58/780588658.db2.gz NAUZOIUCECDULI-SNVBAGLBSA-N 1 1 322.369 -1.019 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001264716568 780588974 /nfs/dbraw/zinc/58/89/74/780588974.db2.gz OXMNRTBZJVDBBO-VWYCJHECSA-N 1 1 303.359 -1.925 20 0 DAADMO Cn1cc(C(=O)NCCC[N@@H+](C)CC(=O)N2CCOCC2)nn1 ZINC001264982472 780589327 /nfs/dbraw/zinc/58/93/27/780589327.db2.gz RCHSXFOJKLMRCX-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO C[N@H+](CCCNC(=O)[C@@H]1CCNC1=O)CCCS(C)(=O)=O ZINC001265021326 780589694 /nfs/dbraw/zinc/58/96/94/780589694.db2.gz LWVLAUUCEQEWII-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCNC1=O)CCCS(C)(=O)=O ZINC001265021326 780589706 /nfs/dbraw/zinc/58/97/06/780589706.db2.gz LWVLAUUCEQEWII-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+](C)[C@@H]2CCNC2=O)c1=O ZINC001265004263 780589934 /nfs/dbraw/zinc/58/99/34/780589934.db2.gz MFWWNMNVADPWIF-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001264992065 780589966 /nfs/dbraw/zinc/58/99/66/780589966.db2.gz KXTKDWMBBGRCKM-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001264988034 780590070 /nfs/dbraw/zinc/59/00/70/780590070.db2.gz VWXMZZOFTMZQLW-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1ccnc1)CC(=O)NC(N)=O ZINC001265018539 780590286 /nfs/dbraw/zinc/59/02/86/780590286.db2.gz VKKDRFCUYYMJBQ-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001265037305 780590336 /nfs/dbraw/zinc/59/03/36/780590336.db2.gz VFXDVCGSZQHXQB-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001264992064 780591044 /nfs/dbraw/zinc/59/10/44/780591044.db2.gz KXTKDWMBBGRCKM-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001265222813 780593615 /nfs/dbraw/zinc/59/36/15/780593615.db2.gz LKIWKRDHDDXWOP-QWRGUYRKSA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)C(=O)NCCC[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC001265174805 780593644 /nfs/dbraw/zinc/59/36/44/780593644.db2.gz KHJBGZOVNIPGLH-GFCCVEGCSA-N 1 1 309.370 -1.300 20 0 DAADMO COCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001265222756 780593732 /nfs/dbraw/zinc/59/37/32/780593732.db2.gz KDMZUSFGPRNWLC-VXGBXAGGSA-N 1 1 314.386 -1.089 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001265171636 780594051 /nfs/dbraw/zinc/59/40/51/780594051.db2.gz UFORZOANGINKRJ-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO COCCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001265222755 780594076 /nfs/dbraw/zinc/59/40/76/780594076.db2.gz KDMZUSFGPRNWLC-RYUDHWBXSA-N 1 1 314.386 -1.089 20 0 DAADMO Cn1nncc1C[N@H+](CCCNC(=O)Cn1ncnn1)C1CC1 ZINC001265161167 780594182 /nfs/dbraw/zinc/59/41/82/780594182.db2.gz DYZTWCKIMLJGFB-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@@H+](CCCNC(=O)Cn1ncnn1)C1CC1 ZINC001265161167 780594187 /nfs/dbraw/zinc/59/41/87/780594187.db2.gz DYZTWCKIMLJGFB-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265201319 780594353 /nfs/dbraw/zinc/59/43/53/780594353.db2.gz NCQANWYSPNAFFO-MNOVXSKESA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265201319 780594358 /nfs/dbraw/zinc/59/43/58/780594358.db2.gz NCQANWYSPNAFFO-MNOVXSKESA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265201320 780594409 /nfs/dbraw/zinc/59/44/09/780594409.db2.gz NCQANWYSPNAFFO-QWRGUYRKSA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265201320 780594415 /nfs/dbraw/zinc/59/44/15/780594415.db2.gz NCQANWYSPNAFFO-QWRGUYRKSA-N 1 1 310.354 -1.492 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@@H+](CC(=O)N(C)C)C1CC1 ZINC001265164857 780594536 /nfs/dbraw/zinc/59/45/36/780594536.db2.gz WYTFCDZIZIFKTC-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C(=O)C(=O)NCC(F)F)C1CC[NH+](CC(N)=O)CC1 ZINC001265194280 780594626 /nfs/dbraw/zinc/59/46/26/780594626.db2.gz BBAQHPLVHZBRQF-UHFFFAOYSA-N 1 1 306.313 -1.224 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)Cn2ncnn2)CC1 ZINC001265243393 780595176 /nfs/dbraw/zinc/59/51/76/780595176.db2.gz QGWQGLDZWRGVQP-UHFFFAOYSA-N 1 1 310.362 -2.718 20 0 DAADMO NC(=O)NCCC(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001265254525 780595492 /nfs/dbraw/zinc/59/54/92/780595492.db2.gz PVBOUNAAFMUMQV-UHFFFAOYSA-N 1 1 301.391 -1.839 20 0 DAADMO Cn1ccc(C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)n1 ZINC001265254750 780595653 /nfs/dbraw/zinc/59/56/53/780595653.db2.gz YTWIWNRFEUCXKJ-UHFFFAOYSA-N 1 1 308.386 -1.357 20 0 DAADMO Cc1cnn(CC(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)c1 ZINC001265240131 780596007 /nfs/dbraw/zinc/59/60/07/780596007.db2.gz HIHCJKKDVPKNIY-UHFFFAOYSA-N 1 1 322.413 -1.199 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001265289883 780598318 /nfs/dbraw/zinc/59/83/18/780598318.db2.gz FANIKGUSAWMNRL-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001265301562 780599660 /nfs/dbraw/zinc/59/96/60/780599660.db2.gz NFWWBIGILPDHEI-WDEREUQCSA-N 1 1 300.359 -1.479 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001265319075 780599793 /nfs/dbraw/zinc/59/97/93/780599793.db2.gz HTXOBLSJPTUQBA-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001265395024 780601282 /nfs/dbraw/zinc/60/12/82/780601282.db2.gz NMIQVNIKJZRHKG-NSHDSACASA-N 1 1 324.381 -1.209 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001265449457 780602525 /nfs/dbraw/zinc/60/25/25/780602525.db2.gz NZQHCKGIDLEXLU-VIFPVBQESA-N 1 1 307.358 -1.573 20 0 DAADMO COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001265548185 780604347 /nfs/dbraw/zinc/60/43/47/780604347.db2.gz RZRLZBKBDUBOKJ-AOOOYVTPSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001265594907 780605384 /nfs/dbraw/zinc/60/53/84/780605384.db2.gz NOCLBHBOMGUASR-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001265594909 780605408 /nfs/dbraw/zinc/60/54/08/780605408.db2.gz NOCLBHBOMGUASR-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCOCCO)C1)[C@@H]1CNC(=O)N1 ZINC001265591431 780605438 /nfs/dbraw/zinc/60/54/38/780605438.db2.gz UUPMGLDCEZNWMN-NEPJUHHUSA-N 1 1 314.386 -1.495 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265659752 780605447 /nfs/dbraw/zinc/60/54/47/780605447.db2.gz GTILVCVBMWUOMR-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265659752 780605452 /nfs/dbraw/zinc/60/54/52/780605452.db2.gz GTILVCVBMWUOMR-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCOCCO)C1)[C@H]1CNC(=O)N1 ZINC001265591434 780606135 /nfs/dbraw/zinc/60/61/35/780606135.db2.gz UUPMGLDCEZNWMN-VXGBXAGGSA-N 1 1 314.386 -1.495 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001265719447 780606933 /nfs/dbraw/zinc/60/69/33/780606933.db2.gz CUKVJGFFJBJJDT-JZRPKSSGSA-N 1 1 311.382 -1.447 20 0 DAADMO C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1nnnn1C ZINC001265783287 780607004 /nfs/dbraw/zinc/60/70/04/780607004.db2.gz KJZUUNYZLUQKIF-SSDOTTSWSA-N 1 1 316.329 -1.216 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC001265722743 780607732 /nfs/dbraw/zinc/60/77/32/780607732.db2.gz VITUJSRQIFUYOB-RSPOJEKHSA-N 1 1 311.382 -1.434 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001265819651 780608390 /nfs/dbraw/zinc/60/83/90/780608390.db2.gz RSNJKUSJNWOMCM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(=O)N1CC(C(=O)NCCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001265833933 780608509 /nfs/dbraw/zinc/60/85/09/780608509.db2.gz AIIBYJMRKFKELG-GFCCVEGCSA-N 1 1 324.381 -1.292 20 0 DAADMO Cc1nnc(NC(=O)C[NH2+][C@H](C)CNC(=O)C(N)=O)s1 ZINC001265818164 780609107 /nfs/dbraw/zinc/60/91/07/780609107.db2.gz FNJCTHZOWXKRAS-RXMQYKEDSA-N 1 1 300.344 -1.635 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCCN(C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265848911 780609688 /nfs/dbraw/zinc/60/96/88/780609688.db2.gz SRIXWFMTGNMCMX-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCCN(C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001265848911 780609689 /nfs/dbraw/zinc/60/96/89/780609689.db2.gz SRIXWFMTGNMCMX-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)CN(C)S(C)(=O)=O ZINC001265858090 780610308 /nfs/dbraw/zinc/61/03/08/780610308.db2.gz VPDHBTJJFCMLBT-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnnn1C ZINC001265861153 780611268 /nfs/dbraw/zinc/61/12/68/780611268.db2.gz IYARREBIQLDOHY-MRVPVSSYSA-N 1 1 309.330 -2.047 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001265878103 780611328 /nfs/dbraw/zinc/61/13/28/780611328.db2.gz VLDLRBLLZGTBRD-ZJUUUORDSA-N 1 1 324.385 -1.142 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1ccc(C(N)=O)nc1)CC(N)=O ZINC001265872020 780611520 /nfs/dbraw/zinc/61/15/20/780611520.db2.gz LNUIXTKFJUHLCC-UHFFFAOYSA-N 1 1 307.354 -1.354 20 0 DAADMO Cn1nccc1C[N@@H+](C)CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265864855 780611799 /nfs/dbraw/zinc/61/17/99/780611799.db2.gz NTLTUIRROHZFSK-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265876550 780611884 /nfs/dbraw/zinc/61/18/84/780611884.db2.gz XMOPOXHUGODKKZ-NXEZZACHSA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001265875911 780612319 /nfs/dbraw/zinc/61/23/19/780612319.db2.gz NJOBWCFLQZQRPL-RKDXNWHRSA-N 1 1 308.342 -1.538 20 0 DAADMO Cn1cc(C[N@@H+](C)CCCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001265902789 780612926 /nfs/dbraw/zinc/61/29/26/780612926.db2.gz WEXSKCCWIGLHTM-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO C[N@@H+](CCO)CCCNC(=O)Cn1nc2ccccn2c1=O ZINC001265900365 780613322 /nfs/dbraw/zinc/61/33/22/780613322.db2.gz SZKQJNMIRBWJSF-UHFFFAOYSA-N 1 1 307.354 -1.074 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCNC1=O)C[C@@H](O)Cn1cccn1 ZINC001265902130 780613581 /nfs/dbraw/zinc/61/35/81/780613581.db2.gz JIMHQFRKPQGVGI-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001265929310 780613956 /nfs/dbraw/zinc/61/39/56/780613956.db2.gz LSVMKPHPTAROFS-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[N@@H+](CCCNC(=O)CC(=O)NCC(F)(F)F)CC(N)=O ZINC001265947156 780613990 /nfs/dbraw/zinc/61/39/90/780613990.db2.gz YOOYSUNUMYWGDE-UHFFFAOYSA-N 1 1 312.292 -1.022 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001265923870 780614881 /nfs/dbraw/zinc/61/48/81/780614881.db2.gz YIICUXFBKVDTNG-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001265968634 780616035 /nfs/dbraw/zinc/61/60/35/780616035.db2.gz HEFPTYPRJCIGAS-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001281090886 780616926 /nfs/dbraw/zinc/61/69/26/780616926.db2.gz NOJPRXPTAMCBMP-JTQLQIEISA-N 1 1 302.375 -1.944 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCC(=O)NC1=O ZINC001266028409 780616989 /nfs/dbraw/zinc/61/69/89/780616989.db2.gz SADKAACMIVYCMY-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001281090887 780617452 /nfs/dbraw/zinc/61/74/52/780617452.db2.gz NOJPRXPTAMCBMP-SNVBAGLBSA-N 1 1 302.375 -1.944 20 0 DAADMO CC[N@@H+](CCCNC(=O)CC(N)=O)[C@H](C)C(=O)NC(=O)NC ZINC001266027849 780617671 /nfs/dbraw/zinc/61/76/71/780617671.db2.gz CRJGQUZRILKGSQ-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCCNC(=O)C(N)=O)CC(=O)N1CCO[C@H](C)C1 ZINC001266077859 780618305 /nfs/dbraw/zinc/61/83/05/780618305.db2.gz VXJGILRDCYAIPL-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)c1nnc[nH]1)C1CC1 ZINC001266164536 780618761 /nfs/dbraw/zinc/61/87/61/780618761.db2.gz QWQRWKOLDMBEKN-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO CC[N@@H+](CCCNC(=O)C(N)=O)CC(=O)N1CCO[C@@H](C)C1 ZINC001266077860 780619091 /nfs/dbraw/zinc/61/90/91/780619091.db2.gz VXJGILRDCYAIPL-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](CCNC(=O)Cc1nnc[nH]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266182507 780620396 /nfs/dbraw/zinc/62/03/96/780620396.db2.gz JNQUVJRISPBLAU-RKDXNWHRSA-N 1 1 308.342 -1.363 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001279347430 780621397 /nfs/dbraw/zinc/62/13/97/780621397.db2.gz NSNICHSJRBMGJF-HLTSFMKQSA-N 1 1 311.342 -2.165 20 0 DAADMO CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)c1cn[nH]n1 ZINC001279422341 780621964 /nfs/dbraw/zinc/62/19/64/780621964.db2.gz JEQYKRJNAZAFBO-UHFFFAOYSA-N 1 1 308.346 -1.188 20 0 DAADMO CCNC(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001279480077 780622918 /nfs/dbraw/zinc/62/29/18/780622918.db2.gz OGMHOKGSOSXJHI-BXUZGUMPSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)Cn1cccn1 ZINC001279660790 780624268 /nfs/dbraw/zinc/62/42/68/780624268.db2.gz QLRFRNSAOCKHPT-UHFFFAOYSA-N 1 1 308.346 -1.983 20 0 DAADMO COCC[N@@H+]1CC=C(CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC001279590420 780624284 /nfs/dbraw/zinc/62/42/84/780624284.db2.gz BASMPKBJSCXNMT-UHFFFAOYSA-N 1 1 309.370 -1.024 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2)nn1 ZINC001279673346 780624329 /nfs/dbraw/zinc/62/43/29/780624329.db2.gz UEDWTILJDBOJKY-LLVKDONJSA-N 1 1 310.358 -1.996 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N(CCO)CC[NH2+]Cc1cnns1 ZINC001279672114 780625089 /nfs/dbraw/zinc/62/50/89/780625089.db2.gz CFMCSJFQJGAICH-SNVBAGLBSA-N 1 1 313.383 -1.273 20 0 DAADMO CN1C[C@H](C(=O)N(CCO)CC[NH2+]Cc2ncnn2C)CC1=O ZINC001279725396 780625721 /nfs/dbraw/zinc/62/57/21/780625721.db2.gz XHTBWADAXLVRDZ-LLVKDONJSA-N 1 1 324.385 -1.796 20 0 DAADMO CN1C[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ncnn2C)CC1=O ZINC001279725397 780626093 /nfs/dbraw/zinc/62/60/93/780626093.db2.gz XHTBWADAXLVRDZ-NSHDSACASA-N 1 1 324.385 -1.796 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001279809002 780627705 /nfs/dbraw/zinc/62/77/05/780627705.db2.gz CGGWCVXLHVTBBX-UHFFFAOYSA-N 1 1 321.341 -1.877 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)no1 ZINC001279811113 780628576 /nfs/dbraw/zinc/62/85/76/780628576.db2.gz VURXDEYNKJJXOG-LLVKDONJSA-N 1 1 311.342 -1.425 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001279839304 780628590 /nfs/dbraw/zinc/62/85/90/780628590.db2.gz XUTGNQCIKAGSKF-UHFFFAOYSA-N 1 1 308.346 -1.914 20 0 DAADMO CCn1ncc(C[NH2+]CCN(CCO)C(=O)c2nc[nH]n2)n1 ZINC001279857330 780628638 /nfs/dbraw/zinc/62/86/38/780628638.db2.gz BBRXIYLFPWHUFL-UHFFFAOYSA-N 1 1 308.346 -1.360 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)Cn2ccnc2)nn1 ZINC001279919218 780629845 /nfs/dbraw/zinc/62/98/45/780629845.db2.gz DEXJRABNSLEDBR-UHFFFAOYSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)N(C)C(=O)C(N)=O ZINC001280511888 780636041 /nfs/dbraw/zinc/63/60/41/780636041.db2.gz AVDFOFFARVMJJM-MRVPVSSYSA-N 1 1 311.342 -1.202 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001280693752 780642145 /nfs/dbraw/zinc/64/21/45/780642145.db2.gz IGMLKFMSIZNPJE-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)C1CCC1 ZINC001280707358 780643006 /nfs/dbraw/zinc/64/30/06/780643006.db2.gz JIGJMVWVAAPOHC-CNDDSTCGSA-N 1 1 308.382 -1.223 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001280850768 780645889 /nfs/dbraw/zinc/64/58/89/780645889.db2.gz SUHNHWIVPHPYTJ-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001280850076 780646413 /nfs/dbraw/zinc/64/64/13/780646413.db2.gz MQAQOQMQLMMNOW-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCCOCCNC(=O)C(N)=O)C1 ZINC001280945432 780649043 /nfs/dbraw/zinc/64/90/43/780649043.db2.gz TWXHSGJQBNCIQY-SNVBAGLBSA-N 1 1 300.359 -1.938 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045605 780653501 /nfs/dbraw/zinc/65/35/01/780653501.db2.gz QEDJICNFNRJECZ-MNOVXSKESA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045605 780653506 /nfs/dbraw/zinc/65/35/06/780653506.db2.gz QEDJICNFNRJECZ-MNOVXSKESA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045607 780654389 /nfs/dbraw/zinc/65/43/89/780654389.db2.gz QEDJICNFNRJECZ-WDEREUQCSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045607 780654392 /nfs/dbraw/zinc/65/43/92/780654392.db2.gz QEDJICNFNRJECZ-WDEREUQCSA-N 1 1 314.386 -1.456 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281076729 780657252 /nfs/dbraw/zinc/65/72/52/780657252.db2.gz UJJZVDVPEIQAEW-MNOVXSKESA-N 1 1 314.386 -1.942 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281076731 780657805 /nfs/dbraw/zinc/65/78/05/780657805.db2.gz UJJZVDVPEIQAEW-WDEREUQCSA-N 1 1 314.386 -1.942 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281076730 780657927 /nfs/dbraw/zinc/65/79/27/780657927.db2.gz UJJZVDVPEIQAEW-QWRGUYRKSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281093491 780659647 /nfs/dbraw/zinc/65/96/47/780659647.db2.gz FUNRNTZZCHTGNO-WDEREUQCSA-N 1 1 314.386 -1.815 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281091130 780659772 /nfs/dbraw/zinc/65/97/72/780659772.db2.gz PORAGHWPYCRUET-VHSXEESVSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281093489 780660057 /nfs/dbraw/zinc/66/00/57/780660057.db2.gz FUNRNTZZCHTGNO-MNOVXSKESA-N 1 1 314.386 -1.815 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cc[n+]([O-])cc1 ZINC001281103761 780662246 /nfs/dbraw/zinc/66/22/46/780662246.db2.gz JXMMPZHLJBQGFW-CHWSQXEVSA-N 1 1 322.365 -1.379 20 0 DAADMO CCn1ncc(C[NH2+]CC2(NC(=O)CC(N)=O)CCOCC2)n1 ZINC001281225589 780669619 /nfs/dbraw/zinc/66/96/19/780669619.db2.gz VCUVLLMJKFEWQN-UHFFFAOYSA-N 1 1 324.385 -1.072 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001281259128 780674573 /nfs/dbraw/zinc/67/45/73/780674573.db2.gz DHUURRVWYUMNPY-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001281264985 780675396 /nfs/dbraw/zinc/67/53/96/780675396.db2.gz SIQULOSVKQTPJV-SNVBAGLBSA-N 1 1 302.375 -1.861 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC=C(CNC(=O)CC(N)=O)CC2)C1 ZINC001281368939 780680562 /nfs/dbraw/zinc/68/05/62/780680562.db2.gz SEJYORFTFIDBCF-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC=C(CNC(=O)CC(N)=O)CC2)C1 ZINC001281368939 780680564 /nfs/dbraw/zinc/68/05/64/780680564.db2.gz SEJYORFTFIDBCF-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC=C(CCNC(=O)C(N)=O)CC2)C1 ZINC001281526202 780685094 /nfs/dbraw/zinc/68/50/94/780685094.db2.gz WUMKRXSBJNSYAM-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC=C(CCNC(=O)C(N)=O)CC2)C1 ZINC001281526202 780685099 /nfs/dbraw/zinc/68/50/99/780685099.db2.gz WUMKRXSBJNSYAM-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@@H](CCCCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281559054 780685350 /nfs/dbraw/zinc/68/53/50/780685350.db2.gz TZPYCBAQHMEWIC-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CCCCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281559054 780685353 /nfs/dbraw/zinc/68/53/53/780685353.db2.gz TZPYCBAQHMEWIC-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)CC(=O)N1CCC(O)(C[NH2+]Cc2ncccn2)CC1 ZINC001281603587 780686263 /nfs/dbraw/zinc/68/62/63/780686263.db2.gz SQTZOIAKGLXWGS-UHFFFAOYSA-N 1 1 307.354 -1.205 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001281715162 780691060 /nfs/dbraw/zinc/69/10/60/780691060.db2.gz JMMKETOJTYHWRL-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001282078695 780700899 /nfs/dbraw/zinc/70/08/99/780700899.db2.gz KRYABYBLESSTBR-PHIMTYICSA-N 1 1 312.370 -1.795 20 0 DAADMO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001282192119 780702807 /nfs/dbraw/zinc/70/28/07/780702807.db2.gz KHQKXKYBHSDQFL-ZJUUUORDSA-N 1 1 317.415 -1.016 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001282202378 780702863 /nfs/dbraw/zinc/70/28/63/780702863.db2.gz LORKPFABSWOQOO-DTWKUNHWSA-N 1 1 322.369 -1.149 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001282378541 780705211 /nfs/dbraw/zinc/70/52/11/780705211.db2.gz RVOHAPJDXDDZSK-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001282366159 780705476 /nfs/dbraw/zinc/70/54/76/780705476.db2.gz IEQOVQSQJGDDJV-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001282366159 780705482 /nfs/dbraw/zinc/70/54/82/780705482.db2.gz IEQOVQSQJGDDJV-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282365860 780705734 /nfs/dbraw/zinc/70/57/34/780705734.db2.gz YXDOCGPHMRRLOZ-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001282415110 780706772 /nfs/dbraw/zinc/70/67/72/780706772.db2.gz KFPGTNBCDHCJAX-GHMZBOCLSA-N 1 1 323.353 -1.855 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282425303 780708084 /nfs/dbraw/zinc/70/80/84/780708084.db2.gz QPCZMPJZJVDNJX-DTWKUNHWSA-N 1 1 311.329 -1.189 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001282423051 780708319 /nfs/dbraw/zinc/70/83/19/780708319.db2.gz LQMVXQXVIGAMJU-VHSXEESVSA-N 1 1 300.359 -2.110 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001282469055 780709067 /nfs/dbraw/zinc/70/90/67/780709067.db2.gz PAYBCZSLEXGPHT-VIFPVBQESA-N 1 1 314.342 -1.510 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001282478539 780709787 /nfs/dbraw/zinc/70/97/87/780709787.db2.gz PSTHVTQEYOKKGU-SNVBAGLBSA-N 1 1 322.369 -1.060 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[N@H+](C)Cc1ccnn1C ZINC001282485666 780709927 /nfs/dbraw/zinc/70/99/27/780709927.db2.gz NJWJODCARQOJTI-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[N@@H+](C)Cc1ccnn1C ZINC001282485666 780709933 /nfs/dbraw/zinc/70/99/33/780709933.db2.gz NJWJODCARQOJTI-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001282470232 780710107 /nfs/dbraw/zinc/71/01/07/780710107.db2.gz WSOMZPHRIGCLFR-ZJUUUORDSA-N 1 1 324.381 -1.246 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001282588064 780712228 /nfs/dbraw/zinc/71/22/28/780712228.db2.gz AINXEQYEJKKHTD-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001282596008 780713518 /nfs/dbraw/zinc/71/35/18/780713518.db2.gz VWORAUSWLFQOCA-CQSZACIVSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001282741192 780714357 /nfs/dbraw/zinc/71/43/57/780714357.db2.gz NSYQEWJVNFOXMG-WCBMZHEXSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001282741189 780714552 /nfs/dbraw/zinc/71/45/52/780714552.db2.gz NSYQEWJVNFOXMG-SCZZXKLOSA-N 1 1 320.353 -1.411 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775675 780716243 /nfs/dbraw/zinc/71/62/43/780716243.db2.gz WSSJIORHQBFVET-SMDDNHRTSA-N 1 1 315.370 -1.828 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775675 780716250 /nfs/dbraw/zinc/71/62/50/780716250.db2.gz WSSJIORHQBFVET-SMDDNHRTSA-N 1 1 315.370 -1.828 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001282849557 780716398 /nfs/dbraw/zinc/71/63/98/780716398.db2.gz ONHWMGVKNNJDOB-LPWJVIDDSA-N 1 1 313.398 -1.186 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)CCNC3=O)[C@@H]2C1 ZINC001282877624 780718017 /nfs/dbraw/zinc/71/80/17/780718017.db2.gz OEMXTKIYMNFTJR-OVZMXSCWSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001282893484 780718437 /nfs/dbraw/zinc/71/84/37/780718437.db2.gz GFZWNOCOXNNQGW-DBIOUOCHSA-N 1 1 322.365 -1.921 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cn1cnnn1 ZINC001282905062 780720417 /nfs/dbraw/zinc/72/04/17/780720417.db2.gz LNGFSNNKQOSJJX-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001282948167 780724699 /nfs/dbraw/zinc/72/46/99/780724699.db2.gz KIDYYHUKFNSPJJ-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCCNC(=O)COCC[NH+](C)C ZINC001282945805 780724939 /nfs/dbraw/zinc/72/49/39/780724939.db2.gz CLQALCUVYVHYCY-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CC2OCCCO2)C1 ZINC001282956807 780725714 /nfs/dbraw/zinc/72/57/14/780725714.db2.gz QAWFIYUFULBGLD-NSHDSACASA-N 1 1 315.370 -1.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CC2OCCCO2)C1 ZINC001282956807 780725718 /nfs/dbraw/zinc/72/57/18/780725718.db2.gz QAWFIYUFULBGLD-NSHDSACASA-N 1 1 315.370 -1.298 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282959401 780725976 /nfs/dbraw/zinc/72/59/76/780725976.db2.gz MRAHWKNZCAQTGI-NEPJUHHUSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282959401 780725982 /nfs/dbraw/zinc/72/59/82/780725982.db2.gz MRAHWKNZCAQTGI-NEPJUHHUSA-N 1 1 314.386 -1.536 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)ncc1=O ZINC001282957407 780726137 /nfs/dbraw/zinc/72/61/37/780726137.db2.gz XTKITWWGTFMXGQ-LLVKDONJSA-N 1 1 323.353 -2.043 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)ncc1=O ZINC001282957407 780726145 /nfs/dbraw/zinc/72/61/45/780726145.db2.gz XTKITWWGTFMXGQ-LLVKDONJSA-N 1 1 323.353 -2.043 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001282959083 780726501 /nfs/dbraw/zinc/72/65/01/780726501.db2.gz JHDYEFSUYUGQAS-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001282959083 780726509 /nfs/dbraw/zinc/72/65/09/780726509.db2.gz JHDYEFSUYUGQAS-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO Cc1ncc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1C ZINC001282959433 780726958 /nfs/dbraw/zinc/72/69/58/780726958.db2.gz NRRXNVGMACSBPQ-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO Cc1ncc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1C ZINC001282959433 780726960 /nfs/dbraw/zinc/72/69/60/780726960.db2.gz NRRXNVGMACSBPQ-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001282957528 780726968 /nfs/dbraw/zinc/72/69/68/780726968.db2.gz YSGNOLKCVOFKPK-QWRGUYRKSA-N 1 1 310.358 -1.598 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001282957528 780726971 /nfs/dbraw/zinc/72/69/71/780726971.db2.gz YSGNOLKCVOFKPK-QWRGUYRKSA-N 1 1 310.358 -1.598 20 0 DAADMO CNC(=O)C1(C(=O)NCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001283026436 780733487 /nfs/dbraw/zinc/73/34/87/780733487.db2.gz ABNUFJGWFNORFP-UHFFFAOYSA-N 1 1 307.354 -1.050 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283026245 780733547 /nfs/dbraw/zinc/73/35/47/780733547.db2.gz USFZOXOMECVLDM-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283025309 780733581 /nfs/dbraw/zinc/73/35/81/780733581.db2.gz JBRWNASBRBRQSP-WDEREUQCSA-N 1 1 319.427 -1.149 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283026136 780733831 /nfs/dbraw/zinc/73/38/31/780733831.db2.gz QLJOUPCKVHDGHY-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2ccn3nnnc3c2)C1 ZINC001283025897 780733882 /nfs/dbraw/zinc/73/38/82/780733882.db2.gz MDJDPXXKARPFQZ-NSHDSACASA-N 1 1 317.353 -1.078 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001283048052 780736393 /nfs/dbraw/zinc/73/63/93/780736393.db2.gz PRNIUQRHAHOWJV-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001283048052 780736399 /nfs/dbraw/zinc/73/63/99/780736399.db2.gz PRNIUQRHAHOWJV-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCNC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1C ZINC001283148400 780746097 /nfs/dbraw/zinc/74/60/97/780746097.db2.gz PCYYCILZSLIMOS-DCAQKATOSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCNC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1C ZINC001283148402 780746443 /nfs/dbraw/zinc/74/64/43/780746443.db2.gz PCYYCILZSLIMOS-GARJFASQSA-N 1 1 311.386 -1.370 20 0 DAADMO Cc1nonc1C(=O)NCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283212190 780749761 /nfs/dbraw/zinc/74/97/61/780749761.db2.gz RZTOPTLHMRZERU-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO Cc1nonc1C(=O)NCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283212190 780749768 /nfs/dbraw/zinc/74/97/68/780749768.db2.gz RZTOPTLHMRZERU-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO CN1C[C@H](C(=O)NCCCNC(=O)[C@H]2CCC[N@H+]2C)NC1=O ZINC001283208476 780750096 /nfs/dbraw/zinc/75/00/96/780750096.db2.gz RYUPYWBSJQDJBE-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2cn(C)nn2)C1 ZINC001283242313 780752155 /nfs/dbraw/zinc/75/21/55/780752155.db2.gz TXYKXDYYJBWKDM-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2cn(C)nn2)C1 ZINC001283242313 780752160 /nfs/dbraw/zinc/75/21/60/780752160.db2.gz TXYKXDYYJBWKDM-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)CCNC(N)=O ZINC001283246695 780752257 /nfs/dbraw/zinc/75/22/57/780752257.db2.gz XTIZZMIRPSBZQV-UHFFFAOYSA-N 1 1 310.358 -1.128 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCCNC(=O)Cc1nc[nH]n1 ZINC001283298215 780754431 /nfs/dbraw/zinc/75/44/31/780754431.db2.gz JUYSBGSLDSMSDS-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)c1nnn(C)n1 ZINC001283300991 780754939 /nfs/dbraw/zinc/75/49/39/780754939.db2.gz MLTDEDQIGMBQAC-UHFFFAOYSA-N 1 1 306.330 -1.349 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283294999 780755045 /nfs/dbraw/zinc/75/50/45/780755045.db2.gz WKMHNAOHJJZBEU-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001283342677 780756778 /nfs/dbraw/zinc/75/67/78/780756778.db2.gz NFFSWXKBESMWRK-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO COCC(=O)NCCOCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001283351317 780757071 /nfs/dbraw/zinc/75/70/71/780757071.db2.gz TWPAOOLUDNHYGY-JTQLQIEISA-N 1 1 301.343 -1.497 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001283406577 780759162 /nfs/dbraw/zinc/75/91/62/780759162.db2.gz FYXXNPIOMFCGRA-IINYFYTJSA-N 1 1 314.386 -1.549 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@H]1CCS(=O)(=O)C1)CC(N)=O ZINC001283398870 780759232 /nfs/dbraw/zinc/75/92/32/780759232.db2.gz KJDHYVGZTCQYKW-JTQLQIEISA-N 1 1 321.399 -2.029 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1CCS(=O)(=O)C1)CC(N)=O ZINC001283398870 780759239 /nfs/dbraw/zinc/75/92/39/780759239.db2.gz KJDHYVGZTCQYKW-JTQLQIEISA-N 1 1 321.399 -2.029 20 0 DAADMO CCn1nnc(C)c1C[N@H+](C)CCOCCNC(=O)C(N)=O ZINC001283407674 780759297 /nfs/dbraw/zinc/75/92/97/780759297.db2.gz LFXTUHSARQUHCM-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO CCn1nnc(C)c1C[N@@H+](C)CCOCCNC(=O)C(N)=O ZINC001283407674 780759302 /nfs/dbraw/zinc/75/93/02/780759302.db2.gz LFXTUHSARQUHCM-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@]1(C)CCC(=O)NC1)CC(N)=O ZINC001283409388 780759346 /nfs/dbraw/zinc/75/93/46/780759346.db2.gz XGFWILKJNVCZPC-AWEZNQCLSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@]1(C)CCC(=O)NC1)CC(N)=O ZINC001283409388 780759353 /nfs/dbraw/zinc/75/93/53/780759353.db2.gz XGFWILKJNVCZPC-AWEZNQCLSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283398086 780760041 /nfs/dbraw/zinc/76/00/41/780760041.db2.gz GCJGIFYEMFMJPZ-NSHDSACASA-N 1 1 308.400 -1.522 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001283408604 780760180 /nfs/dbraw/zinc/76/01/80/780760180.db2.gz RUFBKIFDLVZQPD-NSHDSACASA-N 1 1 314.386 -1.725 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001283408604 780760187 /nfs/dbraw/zinc/76/01/87/780760187.db2.gz RUFBKIFDLVZQPD-NSHDSACASA-N 1 1 314.386 -1.725 20 0 DAADMO Cn1ccc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC001283420743 780760939 /nfs/dbraw/zinc/76/09/39/780760939.db2.gz ASJLTXLVSDFEES-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001283416480 780761497 /nfs/dbraw/zinc/76/14/97/780761497.db2.gz MWWKSZHDTSIPJP-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO C[C@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)Nc1nncs1 ZINC001283665576 780768815 /nfs/dbraw/zinc/76/88/15/780768815.db2.gz XHMHMXKRQKGJBK-ZCFIWIBFSA-N 1 1 300.344 -1.602 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1cnon1 ZINC001283703027 780770247 /nfs/dbraw/zinc/77/02/47/780770247.db2.gz QFELPBYUUIFDLY-VIFPVBQESA-N 1 1 324.341 -1.100 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1c[nH]nn1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283681179 780770537 /nfs/dbraw/zinc/77/05/37/780770537.db2.gz XBAUJUPKPZWIOA-KOLCDFICSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1cnn[nH]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283681179 780770540 /nfs/dbraw/zinc/77/05/40/780770540.db2.gz XBAUJUPKPZWIOA-KOLCDFICSA-N 1 1 322.369 -1.021 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001283731605 780770582 /nfs/dbraw/zinc/77/05/82/780770582.db2.gz ADCGKQZONWVYRN-GFCCVEGCSA-N 1 1 305.338 -1.066 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001283772497 780775576 /nfs/dbraw/zinc/77/55/76/780775576.db2.gz QODQYSPGWFPHGZ-LLVKDONJSA-N 1 1 323.397 -1.093 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C)ncn2)CC1 ZINC001283817416 780779521 /nfs/dbraw/zinc/77/95/21/780779521.db2.gz SZGJSGRGBWLTAW-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001283830085 780782166 /nfs/dbraw/zinc/78/21/66/780782166.db2.gz MJWNKQFQBMNGIV-UHFFFAOYSA-N 1 1 322.369 -2.063 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001283830867 780782182 /nfs/dbraw/zinc/78/21/82/780782182.db2.gz HKZFEHJCZAESBL-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCC(=O)NC1=O ZINC001283830867 780782184 /nfs/dbraw/zinc/78/21/84/780782184.db2.gz HKZFEHJCZAESBL-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2C(=O)CNC2=O)n1 ZINC001283827108 780782496 /nfs/dbraw/zinc/78/24/96/780782496.db2.gz HPKQCBDOMLLELY-SNVBAGLBSA-N 1 1 324.341 -2.461 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001283830869 780782695 /nfs/dbraw/zinc/78/26/95/780782695.db2.gz HKZFEHJCZAESBL-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001283830869 780782700 /nfs/dbraw/zinc/78/27/00/780782700.db2.gz HKZFEHJCZAESBL-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001283843275 780784033 /nfs/dbraw/zinc/78/40/33/780784033.db2.gz UTWHXWDCJUZCHE-PWSUYJOCSA-N 1 1 320.349 -1.299 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)[nH]1 ZINC001284396921 780811258 /nfs/dbraw/zinc/81/12/58/780811258.db2.gz ASPGJYNBAGZUSB-UWVGGRQHSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnc(C2CCC2)n1C)C(=O)C(N)=O ZINC001284444587 780817619 /nfs/dbraw/zinc/81/76/19/780817619.db2.gz LCXDBCOBURQJIA-JTQLQIEISA-N 1 1 324.385 -1.523 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@]1(C)CCNC1=O ZINC001284449067 780818008 /nfs/dbraw/zinc/81/80/08/780818008.db2.gz ZQNUEFUCGAXIKN-ABAIWWIYSA-N 1 1 321.381 -1.088 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284476270 780820294 /nfs/dbraw/zinc/82/02/94/780820294.db2.gz HFFYLBQPZUUYNS-UWVGGRQHSA-N 1 1 301.343 -1.811 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCS(C)(=O)=O)C(=O)C(N)=O ZINC001284508091 780821466 /nfs/dbraw/zinc/82/14/66/780821466.db2.gz BMPLNMCLIBHMQZ-VIFPVBQESA-N 1 1 309.388 -2.343 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCS(C)(=O)=O)C(=O)C(N)=O ZINC001284508091 780821476 /nfs/dbraw/zinc/82/14/76/780821476.db2.gz BMPLNMCLIBHMQZ-VIFPVBQESA-N 1 1 309.388 -2.343 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001284492563 780821786 /nfs/dbraw/zinc/82/17/86/780821786.db2.gz NNKAQDONZLWNOB-NSHDSACASA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001284492563 780821790 /nfs/dbraw/zinc/82/17/90/780821790.db2.gz NNKAQDONZLWNOB-NSHDSACASA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001284492904 780821912 /nfs/dbraw/zinc/82/19/12/780821912.db2.gz PYRQUYHPLVWOAS-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001284492904 780821924 /nfs/dbraw/zinc/82/19/24/780821924.db2.gz PYRQUYHPLVWOAS-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284508530 780822950 /nfs/dbraw/zinc/82/29/50/780822950.db2.gz FBGIEIVXMMDPMW-JTQLQIEISA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284508530 780822959 /nfs/dbraw/zinc/82/29/59/780822959.db2.gz FBGIEIVXMMDPMW-JTQLQIEISA-N 1 1 314.386 -1.909 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284508903 780823369 /nfs/dbraw/zinc/82/33/69/780823369.db2.gz HCLLURSYOKGCNU-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCCCC1)C(=O)C(N)=O ZINC001284507999 780823708 /nfs/dbraw/zinc/82/37/08/780823708.db2.gz ATIUUVXFFPJLRY-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCCCC1)C(=O)C(N)=O ZINC001284507999 780823710 /nfs/dbraw/zinc/82/37/10/780823710.db2.gz ATIUUVXFFPJLRY-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCN(C)C1=O ZINC001284510688 780824174 /nfs/dbraw/zinc/82/41/74/780824174.db2.gz ZJUFYNVAAWGOJL-NEPJUHHUSA-N 1 1 301.387 -1.402 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001284881087 780841747 /nfs/dbraw/zinc/84/17/47/780841747.db2.gz OEHYKYAYSIEMNS-UHFFFAOYSA-N 1 1 321.385 -1.054 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001284881087 780841755 /nfs/dbraw/zinc/84/17/55/780841755.db2.gz OEHYKYAYSIEMNS-UHFFFAOYSA-N 1 1 321.385 -1.054 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001284878167 780842278 /nfs/dbraw/zinc/84/22/78/780842278.db2.gz LZTQLKFFEJBANR-GFCCVEGCSA-N 1 1 322.365 -1.324 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001284878167 780842282 /nfs/dbraw/zinc/84/22/82/780842282.db2.gz LZTQLKFFEJBANR-GFCCVEGCSA-N 1 1 322.365 -1.324 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001284878170 780843155 /nfs/dbraw/zinc/84/31/55/780843155.db2.gz LZTQLKFFEJBANR-LBPRGKRZSA-N 1 1 322.365 -1.324 20 0 DAADMO CC(=O)NCC(=O)NCC1=CC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001284878170 780843164 /nfs/dbraw/zinc/84/31/64/780843164.db2.gz LZTQLKFFEJBANR-LBPRGKRZSA-N 1 1 322.365 -1.324 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001284921297 780846717 /nfs/dbraw/zinc/84/67/17/780846717.db2.gz TYDFIUHXCYIQKU-GFCCVEGCSA-N 1 1 323.397 -1.106 20 0 DAADMO CNC(=O)CC(=O)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001284923812 780847619 /nfs/dbraw/zinc/84/76/19/780847619.db2.gz SIPQLHPNSOXXKF-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001284940026 780849377 /nfs/dbraw/zinc/84/93/77/780849377.db2.gz RQYUJDPHJMOHRH-LLVKDONJSA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001284940026 780849382 /nfs/dbraw/zinc/84/93/82/780849382.db2.gz RQYUJDPHJMOHRH-LLVKDONJSA-N 1 1 324.381 -1.700 20 0 DAADMO NC(=O)CC(=O)NCC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284960871 780850637 /nfs/dbraw/zinc/85/06/37/780850637.db2.gz WVMUXFBMICEMPI-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001284958014 780850861 /nfs/dbraw/zinc/85/08/61/780850861.db2.gz PKIQVFFGTJTWTJ-UPJWGTAASA-N 1 1 311.382 -1.137 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001284958994 780851322 /nfs/dbraw/zinc/85/13/22/780851322.db2.gz DSQUOSGPCOFHCZ-LBPRGKRZSA-N 1 1 315.370 -1.756 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001285416267 780866446 /nfs/dbraw/zinc/86/64/46/780866446.db2.gz GHFQDFHITSWWKQ-ZDUSSCGKSA-N 1 1 324.381 -1.133 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001285437805 780872353 /nfs/dbraw/zinc/87/23/53/780872353.db2.gz MJSZANULZKMBTF-QWRGUYRKSA-N 1 1 323.353 -2.079 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001285511113 780876029 /nfs/dbraw/zinc/87/60/29/780876029.db2.gz JGFCOGHMBIWIBM-BYCRGOAPSA-N 1 1 322.369 -1.154 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001285511113 780876034 /nfs/dbraw/zinc/87/60/34/780876034.db2.gz JGFCOGHMBIWIBM-BYCRGOAPSA-N 1 1 322.369 -1.154 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001285511116 780876831 /nfs/dbraw/zinc/87/68/31/780876831.db2.gz JGFCOGHMBIWIBM-UFFNRZRYSA-N 1 1 322.369 -1.154 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001285511116 780876835 /nfs/dbraw/zinc/87/68/35/780876835.db2.gz JGFCOGHMBIWIBM-UFFNRZRYSA-N 1 1 322.369 -1.154 20 0 DAADMO CNC(=O)NCC(=O)NC/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001285557533 780877306 /nfs/dbraw/zinc/87/73/06/780877306.db2.gz JXVAEYDTZOKVIB-ARJAWSKDSA-N 1 1 322.369 -1.091 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNC(=O)[C@H]1CNC(=O)N1 ZINC001285570029 780878046 /nfs/dbraw/zinc/87/80/46/780878046.db2.gz FYDHEGSNPQCFBU-SGUJLRQBSA-N 1 1 311.386 -1.203 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001285671091 780882744 /nfs/dbraw/zinc/88/27/44/780882744.db2.gz LVAOWFJSTMLSIU-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C(=O)NCC(F)F ZINC001285750179 780887155 /nfs/dbraw/zinc/88/71/55/780887155.db2.gz UYHILBIFUVOPHE-DTWKUNHWSA-N 1 1 320.340 -1.060 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)CC2 ZINC001285769365 780888758 /nfs/dbraw/zinc/88/87/58/780888758.db2.gz MEUVMJGAHPRRHA-WPRPVWTQSA-N 1 1 307.354 -1.140 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285915407 780897630 /nfs/dbraw/zinc/89/76/30/780897630.db2.gz VWLVQBYQNXANEG-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285915407 780897640 /nfs/dbraw/zinc/89/76/40/780897640.db2.gz VWLVQBYQNXANEG-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C(N)=O)C1 ZINC001286203895 780909848 /nfs/dbraw/zinc/90/98/48/780909848.db2.gz UCMCEKQCSSJIPQ-JTQLQIEISA-N 1 1 312.370 -1.843 20 0 DAADMO CCCOCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287747954 780923378 /nfs/dbraw/zinc/92/33/78/780923378.db2.gz QBOMVSSTSIXIRL-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287747954 780923382 /nfs/dbraw/zinc/92/33/82/780923382.db2.gz QBOMVSSTSIXIRL-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001287754816 780924390 /nfs/dbraw/zinc/92/43/90/780924390.db2.gz OXBZPJZWKAKXBH-NXEZZACHSA-N 1 1 300.359 -2.203 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001287765719 780925266 /nfs/dbraw/zinc/92/52/66/780925266.db2.gz PXGZRXSOSGAJML-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001090834656 781351834 /nfs/dbraw/zinc/35/18/34/781351834.db2.gz YJOYQJBJZYMPMU-GXSJLCMTSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001090834656 781351844 /nfs/dbraw/zinc/35/18/44/781351844.db2.gz YJOYQJBJZYMPMU-GXSJLCMTSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001090834658 781352736 /nfs/dbraw/zinc/35/27/36/781352736.db2.gz YJOYQJBJZYMPMU-MWLCHTKSSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)n(C)c1=O ZINC001090834658 781352748 /nfs/dbraw/zinc/35/27/48/781352748.db2.gz YJOYQJBJZYMPMU-MWLCHTKSSA-N 1 1 300.334 -1.142 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090834167 781354109 /nfs/dbraw/zinc/35/41/09/781354109.db2.gz SNSGCTYIBVJBLW-PSASIEDQSA-N 1 1 312.330 -3.079 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090834343 781354144 /nfs/dbraw/zinc/35/41/44/781354144.db2.gz UCTBFIOTGNCVMN-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832489 781354526 /nfs/dbraw/zinc/35/45/26/781354526.db2.gz CCKNNJIFRICJNH-ZYHUDNBSSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)nc1 ZINC001090843928 781354936 /nfs/dbraw/zinc/35/49/36/781354936.db2.gz MTLTUFVALYGEAR-WCQYABFASA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)n(C)c1=O ZINC001090837800 781355032 /nfs/dbraw/zinc/35/50/32/781355032.db2.gz XJDYWJSXFSMKJQ-PWSUYJOCSA-N 1 1 312.370 -1.729 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)n(C)c1=O ZINC001090837798 781355091 /nfs/dbraw/zinc/35/50/91/781355091.db2.gz XJDYWJSXFSMKJQ-CMPLNLGQSA-N 1 1 312.370 -1.729 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC001090843926 781355351 /nfs/dbraw/zinc/35/53/51/781355351.db2.gz MTLTUFVALYGEAR-AAEUAGOBSA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cc1 ZINC001090840717 781355587 /nfs/dbraw/zinc/35/55/87/781355587.db2.gz FCGAELQQQYMROD-UONOGXRCSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001090840361 781355615 /nfs/dbraw/zinc/35/56/15/781355615.db2.gz YDJVJNZYZCKALS-ZWNOBZJWSA-N 1 1 322.365 -1.272 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832488 781355763 /nfs/dbraw/zinc/35/57/63/781355763.db2.gz CCKNNJIFRICJNH-PWSUYJOCSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832487 781356124 /nfs/dbraw/zinc/35/61/24/781356124.db2.gz CCKNNJIFRICJNH-JQWIXIFHSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090839742 781356703 /nfs/dbraw/zinc/35/67/03/781356703.db2.gz RYFBNQSZHJAFSM-JOYOIKCWSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001090840353 781356859 /nfs/dbraw/zinc/35/68/59/781356859.db2.gz YDJVJNZYZCKALS-GWCFXTLKSA-N 1 1 322.365 -1.272 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090848361 781357124 /nfs/dbraw/zinc/35/71/24/781357124.db2.gz FQVWWNHSYNOANN-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 ZINC001090859373 781359749 /nfs/dbraw/zinc/35/97/49/781359749.db2.gz VVBVZOBVWKWUFM-WCQYABFASA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090859356 781359941 /nfs/dbraw/zinc/35/99/41/781359941.db2.gz VQFLIIPMGWOVSL-JQWIXIFHSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 ZINC001090859372 781360379 /nfs/dbraw/zinc/36/03/79/781360379.db2.gz VVBVZOBVWKWUFM-DGCLKSJQSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001090852994 781360537 /nfs/dbraw/zinc/36/05/37/781360537.db2.gz VJUHYWHPBDGWMQ-AAEUAGOBSA-N 1 1 322.365 -1.272 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149143668 781361459 /nfs/dbraw/zinc/36/14/59/781361459.db2.gz KTYIARVUFMPDHE-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149143671 781362822 /nfs/dbraw/zinc/36/28/22/781362822.db2.gz KTYIARVUFMPDHE-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO Cn1nnc(CNC2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001090970186 781363589 /nfs/dbraw/zinc/36/35/89/781363589.db2.gz OKWXEKYBXYUGTB-HTAVTVPLSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001090970186 781363598 /nfs/dbraw/zinc/36/35/98/781363598.db2.gz OKWXEKYBXYUGTB-HTAVTVPLSA-N 1 1 323.401 -1.475 20 0 DAADMO Cc1c(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001090967117 781363703 /nfs/dbraw/zinc/36/37/03/781363703.db2.gz MJWCUJWKNJVSJJ-UHFFFAOYSA-N 1 1 319.373 -1.055 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC001090998839 781365246 /nfs/dbraw/zinc/36/52/46/781365246.db2.gz OOARGEVNCCAWMD-UHFFFAOYSA-N 1 1 321.385 -1.327 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098493763 781367201 /nfs/dbraw/zinc/36/72/01/781367201.db2.gz BXFAHRODJVHAPH-UHFFFAOYSA-N 1 1 314.386 -1.765 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375487 781375299 /nfs/dbraw/zinc/37/52/99/781375299.db2.gz PYQVAZJMCDXOQG-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375487 781375302 /nfs/dbraw/zinc/37/53/02/781375302.db2.gz PYQVAZJMCDXOQG-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001091087057 781375977 /nfs/dbraw/zinc/37/59/77/781375977.db2.gz GGXJCYHCMBXTEJ-VQXHTEKXSA-N 1 1 321.385 -1.137 20 0 DAADMO CN1C[C@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001091181598 781382148 /nfs/dbraw/zinc/38/21/48/781382148.db2.gz ODZTYMNKPKQLFM-UDNWOFFPSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1cc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001091217322 781384854 /nfs/dbraw/zinc/38/48/54/781384854.db2.gz SIKBXDVDOOSYDW-UHFFFAOYSA-N 1 1 320.357 -1.053 20 0 DAADMO COc1ccc([C@H](O)C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001144785539 781385935 /nfs/dbraw/zinc/38/59/35/781385935.db2.gz GTXNKFOBGPVTKB-ZDEQEGDKSA-N 1 1 307.354 -1.752 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001091210919 781386179 /nfs/dbraw/zinc/38/61/79/781386179.db2.gz BORMGRXPCFOWDZ-HACHORDNSA-N 1 1 308.346 -2.124 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2cccc(Cl)c2)[C@@H]2NCN[C@H]21 ZINC001144834589 781386889 /nfs/dbraw/zinc/38/68/89/781386889.db2.gz HOCAGSQRIGDSOV-QCNOEVLYSA-N 1 1 311.773 -1.108 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001091329505 781388440 /nfs/dbraw/zinc/38/84/40/781388440.db2.gz SYKDLVRSCBPXJY-RTBKNWGFSA-N 1 1 307.358 -1.527 20 0 DAADMO CC(C)(C)[NH+]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144899367 781392676 /nfs/dbraw/zinc/39/26/76/781392676.db2.gz JMEXZRRPOBCMHI-OUAUKWLOSA-N 1 1 318.370 -2.427 20 0 DAADMO O=C(NCc1[nH+]cn2ccccc12)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906381 781398705 /nfs/dbraw/zinc/39/87/05/781398705.db2.gz DZFZHOLSLKXYQR-IJLUTSLNSA-N 1 1 323.305 -2.405 20 0 DAADMO C[N@H+]1CCC[C@](C)(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144908065 781401556 /nfs/dbraw/zinc/40/15/56/781401556.db2.gz RKOPIYMWTHMBLH-PRFIWBCESA-N 1 1 304.343 -2.769 20 0 DAADMO CC(C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1cnc[nH]1 ZINC001171251769 781404672 /nfs/dbraw/zinc/40/46/72/781404672.db2.gz PMXAYZARZYPIPF-UHFFFAOYSA-N 1 1 310.358 -1.022 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000043121935 781409361 /nfs/dbraw/zinc/40/93/61/781409361.db2.gz WOXRCCVLYVPEMK-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191608 781410123 /nfs/dbraw/zinc/41/01/23/781410123.db2.gz XXRLMLGMFWYIGH-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146200498 781410582 /nfs/dbraw/zinc/41/05/82/781410582.db2.gz LZAUMELMPQBAES-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)COCc2ncnn2C)n1 ZINC001146190407 781410635 /nfs/dbraw/zinc/41/06/35/781410635.db2.gz DTCMIEVQNPBIGA-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)COCc2ncnn2C)nn1 ZINC001146201395 781410790 /nfs/dbraw/zinc/41/07/90/781410790.db2.gz XYMJXORKJWZIIR-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1ncnn1C)c1nnnn1C ZINC001146201424 781410902 /nfs/dbraw/zinc/41/09/02/781410902.db2.gz ZCRYMMNBPXJNQD-SECBINFHSA-N 1 1 323.361 -1.678 20 0 DAADMO C[NH+](C)CCNC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146247292 781411937 /nfs/dbraw/zinc/41/19/37/781411937.db2.gz JUVXDHROKRQUCH-ZJUUUORDSA-N 1 1 303.384 -1.202 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1nncn1C)c1nncn1C ZINC001146208511 781412070 /nfs/dbraw/zinc/41/20/70/781412070.db2.gz NJJDNFYUZJCKQM-JTQLQIEISA-N 1 1 322.373 -1.073 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)COCc2nncn2C)n1 ZINC001146208169 781412122 /nfs/dbraw/zinc/41/21/22/781412122.db2.gz KIOSUVMUKVPNIU-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001091555028 781413645 /nfs/dbraw/zinc/41/36/45/781413645.db2.gz LZMAWZYOGKUBQN-MFKMUULPSA-N 1 1 317.411 -1.313 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001091555028 781413648 /nfs/dbraw/zinc/41/36/48/781413648.db2.gz LZMAWZYOGKUBQN-MFKMUULPSA-N 1 1 317.411 -1.313 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099879339 781415743 /nfs/dbraw/zinc/41/57/43/781415743.db2.gz IVQWBHUPCUZDQD-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149154433 781415831 /nfs/dbraw/zinc/41/58/31/781415831.db2.gz XYPTWCZFWBCXSF-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149154433 781415835 /nfs/dbraw/zinc/41/58/35/781415835.db2.gz XYPTWCZFWBCXSF-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099881985 781416583 /nfs/dbraw/zinc/41/65/83/781416583.db2.gz MJXTWFOKSXIMOQ-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cncc1C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149123043 781416693 /nfs/dbraw/zinc/41/66/93/781416693.db2.gz ARGITBNDLYQOFZ-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1cncc1C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149123043 781416694 /nfs/dbraw/zinc/41/66/94/781416694.db2.gz ARGITBNDLYQOFZ-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)[nH]1 ZINC001146661142 781418855 /nfs/dbraw/zinc/41/88/55/781418855.db2.gz PLYOHFVBZCMYSD-UHFFFAOYSA-N 1 1 323.357 -1.351 20 0 DAADMO COCC(=O)N1CC2(C1)CC[N@H+](CCNS(C)(=O)=O)C2 ZINC001146857185 781419571 /nfs/dbraw/zinc/41/95/71/781419571.db2.gz ZDIVYPCHUGELDB-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO COCC(=O)N1CC2(C1)CC[N@@H+](CCNS(C)(=O)=O)C2 ZINC001146857185 781419575 /nfs/dbraw/zinc/41/95/75/781419575.db2.gz ZDIVYPCHUGELDB-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001146878505 781422343 /nfs/dbraw/zinc/42/23/43/781422343.db2.gz IRTFHMPMMFCCLY-MRVPVSSYSA-N 1 1 323.357 -1.178 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)nc1 ZINC001146878855 781423350 /nfs/dbraw/zinc/42/33/50/781423350.db2.gz NTKOHZFGQSKWOO-UHFFFAOYSA-N 1 1 320.353 -1.067 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879067 781423404 /nfs/dbraw/zinc/42/34/04/781423404.db2.gz TUFOZWMIRSPGJU-UHFFFAOYSA-N 1 1 310.318 -2.642 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)n1 ZINC001146879264 781423714 /nfs/dbraw/zinc/42/37/14/781423714.db2.gz YHRQMBFSJGEASI-UHFFFAOYSA-N 1 1 309.330 -2.037 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001146979088 781424040 /nfs/dbraw/zinc/42/40/40/781424040.db2.gz GLHJLEATXOXXEP-SECBINFHSA-N 1 1 322.369 -1.324 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001146934112 781425067 /nfs/dbraw/zinc/42/50/67/781425067.db2.gz PUHXAYBDKHUSDI-JTQLQIEISA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001146934112 781425076 /nfs/dbraw/zinc/42/50/76/781425076.db2.gz PUHXAYBDKHUSDI-JTQLQIEISA-N 1 1 310.354 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001146979089 781425156 /nfs/dbraw/zinc/42/51/56/781425156.db2.gz GLHJLEATXOXXEP-VIFPVBQESA-N 1 1 322.369 -1.324 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CN3CCOCC3)C[C@]2(C)C1 ZINC001091609328 781425897 /nfs/dbraw/zinc/42/58/97/781425897.db2.gz BBAFXZUTQRTKFJ-IOASZLSFSA-N 1 1 324.425 -1.027 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001146999902 781426021 /nfs/dbraw/zinc/42/60/21/781426021.db2.gz PDHJYCVRMGNJHF-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001146999784 781426105 /nfs/dbraw/zinc/42/61/05/781426105.db2.gz OEGSRADGECMWKS-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CN3CCOCC3)C[C@]2(C)C1 ZINC001091609329 781426500 /nfs/dbraw/zinc/42/65/00/781426500.db2.gz BBAFXZUTQRTKFJ-ZENOOKHLSA-N 1 1 324.425 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974481 781428608 /nfs/dbraw/zinc/42/86/08/781428608.db2.gz QLEWLDOPQRODIQ-NSHDSACASA-N 1 1 310.358 -1.785 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cn([C@H]3CCOC3)nn2)n1 ZINC001147013483 781428792 /nfs/dbraw/zinc/42/87/92/781428792.db2.gz AXYIWQJZZMEWSC-NSHDSACASA-N 1 1 320.357 -1.112 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016728 781428864 /nfs/dbraw/zinc/42/88/64/781428864.db2.gz VXHWDDIPRWXTEL-SECBINFHSA-N 1 1 321.345 -1.717 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147035205 781429693 /nfs/dbraw/zinc/42/96/93/781429693.db2.gz VGYYIMLWEKFANN-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001147031120 781430761 /nfs/dbraw/zinc/43/07/61/781430761.db2.gz GRKJOHVWQORLGM-QWHCGFSZSA-N 1 1 314.382 -1.057 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)OC)C2)C1 ZINC001147083289 781433038 /nfs/dbraw/zinc/43/30/38/781433038.db2.gz WYYXOPMBHUAREX-LLVKDONJSA-N 1 1 315.370 -1.116 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001147082738 781433865 /nfs/dbraw/zinc/43/38/65/781433865.db2.gz FKWGCDFWTUWDFB-LLVKDONJSA-N 1 1 320.411 -1.427 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001147082738 781433871 /nfs/dbraw/zinc/43/38/71/781433871.db2.gz FKWGCDFWTUWDFB-LLVKDONJSA-N 1 1 320.411 -1.427 20 0 DAADMO CCC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147225350 781435077 /nfs/dbraw/zinc/43/50/77/781435077.db2.gz KDKBHOAFTOSHPU-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147186804 781435350 /nfs/dbraw/zinc/43/53/50/781435350.db2.gz CMTPIGHUXWQXOB-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147186804 781435353 /nfs/dbraw/zinc/43/53/53/781435353.db2.gz CMTPIGHUXWQXOB-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147186762 781435732 /nfs/dbraw/zinc/43/57/32/781435732.db2.gz BYNPKBWXNJUMKE-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147186762 781435738 /nfs/dbraw/zinc/43/57/38/781435738.db2.gz BYNPKBWXNJUMKE-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NC[C@H]1CCOC1 ZINC001147271554 781436609 /nfs/dbraw/zinc/43/66/09/781436609.db2.gz IGJLQRGADWPVML-SNVBAGLBSA-N 1 1 310.358 -1.794 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001147263933 781437206 /nfs/dbraw/zinc/43/72/06/781437206.db2.gz BHTGGOVSDIYXRT-VIFPVBQESA-N 1 1 301.372 -1.512 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001147271905 781437521 /nfs/dbraw/zinc/43/75/21/781437521.db2.gz XHHGFXUJXRJZHE-SECBINFHSA-N 1 1 324.341 -2.437 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)CCO1 ZINC001147264771 781437588 /nfs/dbraw/zinc/43/75/88/781437588.db2.gz OODCZNCZUWEWNB-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NC(=O)NC1CC1 ZINC001147277288 781437625 /nfs/dbraw/zinc/43/76/25/781437625.db2.gz BMIGEEIKSPSJTJ-UHFFFAOYSA-N 1 1 309.330 -1.959 20 0 DAADMO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271691 781437741 /nfs/dbraw/zinc/43/77/41/781437741.db2.gz NLIKEIZYZXXOKQ-SNVBAGLBSA-N 1 1 312.374 -1.406 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001147278310 781437847 /nfs/dbraw/zinc/43/78/47/781437847.db2.gz YOVCCLYKFMFTAH-UHFFFAOYSA-N 1 1 309.330 -2.989 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@]2(C)C1 ZINC001091626974 781438757 /nfs/dbraw/zinc/43/87/57/781438757.db2.gz UIWZWICJEIQSMU-CJNGLKHVSA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(N)=O)nn1 ZINC001147322103 781438854 /nfs/dbraw/zinc/43/88/54/781438854.db2.gz XGPNFSNHHSOTMP-LLVKDONJSA-N 1 1 309.374 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149124151 781440462 /nfs/dbraw/zinc/44/04/62/781440462.db2.gz JPRJBSNGPQTUGX-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149124151 781440465 /nfs/dbraw/zinc/44/04/65/781440465.db2.gz JPRJBSNGPQTUGX-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)NCC[NH2+]Cc1nnnn1C)C1CC1 ZINC001147466602 781443159 /nfs/dbraw/zinc/44/31/59/781443159.db2.gz QJNAHJCXDRJGAM-CYBMUJFWSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147422230 781443743 /nfs/dbraw/zinc/44/37/43/781443743.db2.gz GGSDLJATULOSST-UWVGGRQHSA-N 1 1 309.370 -1.534 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001147489365 781445925 /nfs/dbraw/zinc/44/59/25/781445925.db2.gz BWKUOSMSUTXIRO-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2)NC(N)=O ZINC001147547030 781446065 /nfs/dbraw/zinc/44/60/65/781446065.db2.gz OKKDYJQZSDFDFE-NXEZZACHSA-N 1 1 311.386 -1.159 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001147558507 781446926 /nfs/dbraw/zinc/44/69/26/781446926.db2.gz UQIVIBVCIODWOY-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001091641337 781446970 /nfs/dbraw/zinc/44/69/70/781446970.db2.gz NSVPBNBHLIRENY-ZETOZRRWSA-N 1 1 324.381 -1.037 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001091641146 781447307 /nfs/dbraw/zinc/44/73/07/781447307.db2.gz HATIIPDHFVTKGG-RULNRJAQSA-N 1 1 310.354 -1.379 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147567337 781447789 /nfs/dbraw/zinc/44/77/89/781447789.db2.gz VUHZHBLTAMGTTK-LLVKDONJSA-N 1 1 310.358 -1.785 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147625749 781448179 /nfs/dbraw/zinc/44/81/79/781448179.db2.gz YQRWTOLKOSTXKM-UHFFFAOYSA-N 1 1 321.341 -1.993 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147625749 781448184 /nfs/dbraw/zinc/44/81/84/781448184.db2.gz YQRWTOLKOSTXKM-UHFFFAOYSA-N 1 1 321.341 -1.993 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001147644758 781448814 /nfs/dbraw/zinc/44/88/14/781448814.db2.gz NDCKVAQYKSPEFH-UHFFFAOYSA-N 1 1 309.330 -1.787 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001147634787 781449072 /nfs/dbraw/zinc/44/90/72/781449072.db2.gz UNISFUKXKHCXIK-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001147644296 781449103 /nfs/dbraw/zinc/44/91/03/781449103.db2.gz IPTGFIKCXXBAOI-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)nc1 ZINC001147645213 781449366 /nfs/dbraw/zinc/44/93/66/781449366.db2.gz RXZMMOAGUSXCDM-UHFFFAOYSA-N 1 1 320.353 -1.115 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147644009 781449528 /nfs/dbraw/zinc/44/95/28/781449528.db2.gz DFFSYOXXKYDDBJ-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001147670373 781450746 /nfs/dbraw/zinc/45/07/46/781450746.db2.gz RREDUPDFXWDKCR-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001147670433 781450803 /nfs/dbraw/zinc/45/08/03/781450803.db2.gz SMNOSVYMBWOMNO-UHFFFAOYSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001147670433 781450806 /nfs/dbraw/zinc/45/08/06/781450806.db2.gz SMNOSVYMBWOMNO-UHFFFAOYSA-N 1 1 321.385 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001147670225 781450872 /nfs/dbraw/zinc/45/08/72/781450872.db2.gz OAZWXYPMHAXNCG-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001147670225 781450876 /nfs/dbraw/zinc/45/08/76/781450876.db2.gz OAZWXYPMHAXNCG-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001147670381 781450976 /nfs/dbraw/zinc/45/09/76/781450976.db2.gz RREDUPDFXWDKCR-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C ZINC001149432937 781451352 /nfs/dbraw/zinc/45/13/52/781451352.db2.gz OHHVSTFHOONEPC-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147610399 781451421 /nfs/dbraw/zinc/45/14/21/781451421.db2.gz BORKQDCKJULWHW-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)S(C)(=O)=O ZINC001147664976 781451517 /nfs/dbraw/zinc/45/15/17/781451517.db2.gz AZHILQDDCCZBEC-UHFFFAOYSA-N 1 1 318.399 -2.103 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)S(C)(=O)=O ZINC001147664976 781451525 /nfs/dbraw/zinc/45/15/25/781451525.db2.gz AZHILQDDCCZBEC-UHFFFAOYSA-N 1 1 318.399 -2.103 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)C(=O)C1CC1 ZINC001147665942 781451577 /nfs/dbraw/zinc/45/15/77/781451577.db2.gz XWACMSDPAJEZSV-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)C(=O)C1CC1 ZINC001147665942 781451584 /nfs/dbraw/zinc/45/15/84/781451584.db2.gz XWACMSDPAJEZSV-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1)NC1CC1 ZINC001147688292 781452637 /nfs/dbraw/zinc/45/26/37/781452637.db2.gz KGJIONHPBSROMR-VIFPVBQESA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147686994 781452927 /nfs/dbraw/zinc/45/29/27/781452927.db2.gz BUMJNCQUFCNTFK-JTQLQIEISA-N 1 1 321.385 -1.359 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147686994 781452934 /nfs/dbraw/zinc/45/29/34/781452934.db2.gz BUMJNCQUFCNTFK-JTQLQIEISA-N 1 1 321.385 -1.359 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147688736 781453055 /nfs/dbraw/zinc/45/30/55/781453055.db2.gz QBMJRWYXUHKCHJ-QMMMGPOBSA-N 1 1 323.357 -1.929 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147687304 781453188 /nfs/dbraw/zinc/45/31/88/781453188.db2.gz CUOZZFRPLZOCIN-GXSJLCMTSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147687304 781453192 /nfs/dbraw/zinc/45/31/92/781453192.db2.gz CUOZZFRPLZOCIN-GXSJLCMTSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147686813 781453576 /nfs/dbraw/zinc/45/35/76/781453576.db2.gz ATLJZCLLJPPONQ-WCBMZHEXSA-N 1 1 320.353 -1.579 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147686813 781453583 /nfs/dbraw/zinc/45/35/83/781453583.db2.gz ATLJZCLLJPPONQ-WCBMZHEXSA-N 1 1 320.353 -1.579 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1)C(=O)NC(N)=O ZINC001147699103 781456045 /nfs/dbraw/zinc/45/60/45/781456045.db2.gz KHCXFPGJUTXTMO-YUMQZZPRSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1)C(=O)NC(N)=O ZINC001147699103 781456053 /nfs/dbraw/zinc/45/60/53/781456053.db2.gz KHCXFPGJUTXTMO-YUMQZZPRSA-N 1 1 323.357 -1.801 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001147777787 781457507 /nfs/dbraw/zinc/45/75/07/781457507.db2.gz FSSMMCUUXIUPBK-SECBINFHSA-N 1 1 312.378 -1.501 20 0 DAADMO Cn1nccc1COCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147773106 781457520 /nfs/dbraw/zinc/45/75/20/781457520.db2.gz DTVUJORNLUMRQX-UHFFFAOYSA-N 1 1 321.381 -1.044 20 0 DAADMO Cn1nccc1COCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147773106 781457523 /nfs/dbraw/zinc/45/75/23/781457523.db2.gz DTVUJORNLUMRQX-UHFFFAOYSA-N 1 1 321.381 -1.044 20 0 DAADMO CC(=O)Nc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccn1 ZINC001147832524 781458147 /nfs/dbraw/zinc/45/81/47/781458147.db2.gz QKCPMSCCIZFHME-SRVKXCTJSA-N 1 1 305.342 -1.827 20 0 DAADMO CC(=O)Nc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccn1 ZINC001147832523 781458666 /nfs/dbraw/zinc/45/86/66/781458666.db2.gz QKCPMSCCIZFHME-SDDRHHMPSA-N 1 1 305.342 -1.827 20 0 DAADMO Cn1cncc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147856328 781458788 /nfs/dbraw/zinc/45/87/88/781458788.db2.gz HUPRIIDOHQLUQH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1cncc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147856328 781458791 /nfs/dbraw/zinc/45/87/91/781458791.db2.gz HUPRIIDOHQLUQH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099890337 781458832 /nfs/dbraw/zinc/45/88/32/781458832.db2.gz QIJVCXMPWSWWFS-OLZOCXBDSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147799629 781459378 /nfs/dbraw/zinc/45/93/78/781459378.db2.gz QNSHVPDXJUYNRZ-UHFFFAOYSA-N 1 1 312.370 -2.235 20 0 DAADMO C[NH+](C)CCOCC(=O)NCCNCC(=O)Nc1cnccn1 ZINC001147842367 781459439 /nfs/dbraw/zinc/45/94/39/781459439.db2.gz UUBFEWYGAFGBOQ-UHFFFAOYSA-N 1 1 324.385 -1.301 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCOC)C2 ZINC001147972431 781460445 /nfs/dbraw/zinc/46/04/45/781460445.db2.gz RGSJLMOGAALAHD-UHFFFAOYSA-N 1 1 320.415 -1.779 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnccc1N(C)C ZINC001148051752 781462682 /nfs/dbraw/zinc/46/26/82/781462682.db2.gz SWTFDHLEFVYPIB-UHFFFAOYSA-N 1 1 322.369 -1.077 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052276 781462907 /nfs/dbraw/zinc/46/29/07/781462907.db2.gz CCOAAIDUTCCKIW-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052276 781462910 /nfs/dbraw/zinc/46/29/10/781462910.db2.gz CCOAAIDUTCCKIW-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148032284 781462940 /nfs/dbraw/zinc/46/29/40/781462940.db2.gz HMURYZUCMHDWDI-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148046252 781463136 /nfs/dbraw/zinc/46/31/36/781463136.db2.gz XAPUQAWDEVUMJS-LBPRGKRZSA-N 1 1 311.382 -1.334 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148032282 781463485 /nfs/dbraw/zinc/46/34/85/781463485.db2.gz HMURYZUCMHDWDI-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052512 781463607 /nfs/dbraw/zinc/46/36/07/781463607.db2.gz CXRJYDVCDXOIMX-JTQLQIEISA-N 1 1 310.358 -1.635 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148168417 781464870 /nfs/dbraw/zinc/46/48/70/781464870.db2.gz RRZCGYUUKBCLAT-NSHDSACASA-N 1 1 312.370 -1.789 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149446462 781465158 /nfs/dbraw/zinc/46/51/58/781465158.db2.gz FAHRXTPFGUQIKQ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149446462 781465161 /nfs/dbraw/zinc/46/51/61/781465161.db2.gz FAHRXTPFGUQIKQ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091675100 781465179 /nfs/dbraw/zinc/46/51/79/781465179.db2.gz FJCOKRGICBBKCO-SUNKGSAMSA-N 1 1 319.369 -1.658 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675513 781465260 /nfs/dbraw/zinc/46/52/60/781465260.db2.gz YDPGRUGMYJLVLA-GYSYKLTISA-N 1 1 321.385 -1.412 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167831 781465660 /nfs/dbraw/zinc/46/56/60/781465660.db2.gz KZTSREKZTXAHAG-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167831 781465665 /nfs/dbraw/zinc/46/56/65/781465665.db2.gz KZTSREKZTXAHAG-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC[C@H]1CCOC1)C2 ZINC001148181950 781466340 /nfs/dbraw/zinc/46/63/40/781466340.db2.gz XXUFBIJUGXGANX-LLVKDONJSA-N 1 1 324.381 -1.841 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC[C@H]1CCOC1)C2 ZINC001148181950 781466344 /nfs/dbraw/zinc/46/63/44/781466344.db2.gz XXUFBIJUGXGANX-LLVKDONJSA-N 1 1 324.381 -1.841 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181588 781466425 /nfs/dbraw/zinc/46/64/25/781466425.db2.gz PWNDERPFZYOYIC-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181588 781466428 /nfs/dbraw/zinc/46/64/28/781466428.db2.gz PWNDERPFZYOYIC-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148188266 781466572 /nfs/dbraw/zinc/46/65/72/781466572.db2.gz JPUVVWHDGMEVKO-UHFFFAOYSA-N 1 1 319.427 -1.028 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148188839 781466630 /nfs/dbraw/zinc/46/66/30/781466630.db2.gz XOCLGPRELLHYDE-UHFFFAOYSA-N 1 1 305.400 -1.418 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC[C@@H]1CCOC1)C2 ZINC001148181951 781466859 /nfs/dbraw/zinc/46/68/59/781466859.db2.gz XXUFBIJUGXGANX-NSHDSACASA-N 1 1 324.381 -1.841 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC[C@@H]1CCOC1)C2 ZINC001148181951 781466864 /nfs/dbraw/zinc/46/68/64/781466864.db2.gz XXUFBIJUGXGANX-NSHDSACASA-N 1 1 324.381 -1.841 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148180869 781466934 /nfs/dbraw/zinc/46/69/34/781466934.db2.gz FRIABYXURBECMP-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148174345 781467207 /nfs/dbraw/zinc/46/72/07/781467207.db2.gz JTGHEHAXBDDDJZ-UHFFFAOYSA-N 1 1 323.353 -2.019 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148174345 781467213 /nfs/dbraw/zinc/46/72/13/781467213.db2.gz JTGHEHAXBDDDJZ-UHFFFAOYSA-N 1 1 323.353 -2.019 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148182002 781467270 /nfs/dbraw/zinc/46/72/70/781467270.db2.gz ZSUSTSHWWKSCIW-MRVPVSSYSA-N 1 1 311.342 -2.150 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@]2(C)C1 ZINC001091714735 781470324 /nfs/dbraw/zinc/47/03/24/781470324.db2.gz GAMBWXJTGMIWNT-OZVIIMIRSA-N 1 1 322.409 -1.009 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148395672 781471052 /nfs/dbraw/zinc/47/10/52/781471052.db2.gz BCMGNNYMZTXPNX-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C(=O)NCC(F)(F)F)C2)C1 ZINC001148524309 781473464 /nfs/dbraw/zinc/47/34/64/781473464.db2.gz GCQLBWHAQXGKCB-UHFFFAOYSA-N 1 1 322.287 -1.316 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C(=O)NCC(F)(F)F)C2)C1 ZINC001148524309 781473473 /nfs/dbraw/zinc/47/34/73/781473473.db2.gz GCQLBWHAQXGKCB-UHFFFAOYSA-N 1 1 322.287 -1.316 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148511023 781473681 /nfs/dbraw/zinc/47/36/81/781473681.db2.gz ICNFWSCRRPUKBO-LBPRGKRZSA-N 1 1 320.393 -1.065 20 0 DAADMO CC(=O)N[C@H](CC(C)C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001148484825 781473822 /nfs/dbraw/zinc/47/38/22/781473822.db2.gz KFGYODFXPNCBFL-LLVKDONJSA-N 1 1 311.390 -1.033 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2nc(C)ccc2=O)[nH]1 ZINC001148557560 781474154 /nfs/dbraw/zinc/47/41/54/781474154.db2.gz VAMNIGWHLRPNOP-UHFFFAOYSA-N 1 1 305.342 -1.116 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148471814 781474315 /nfs/dbraw/zinc/47/43/15/781474315.db2.gz RNADSYKNEQKESO-QMMMGPOBSA-N 1 1 322.325 -1.199 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148471814 781474323 /nfs/dbraw/zinc/47/43/23/781474323.db2.gz RNADSYKNEQKESO-QMMMGPOBSA-N 1 1 322.325 -1.199 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2ncnn2C)n1 ZINC001148570641 781474628 /nfs/dbraw/zinc/47/46/28/781474628.db2.gz JHURIBSLBJMPNX-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001148480977 781474840 /nfs/dbraw/zinc/47/48/40/781474840.db2.gz NKZCBZRJLIQXET-LBPRGKRZSA-N 1 1 324.385 -1.395 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148691408 781475832 /nfs/dbraw/zinc/47/58/32/781475832.db2.gz YNLKECPQCPEUAU-UHFFFAOYSA-N 1 1 305.400 -1.596 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2nncn2C)n1 ZINC001148564174 781475867 /nfs/dbraw/zinc/47/58/67/781475867.db2.gz HRQPNFYBWFXDMJ-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CCC1 ZINC001148603121 781476304 /nfs/dbraw/zinc/47/63/04/781476304.db2.gz JSTKMQNPIKXSIT-VIFPVBQESA-N 1 1 309.374 -1.107 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148691381 781476523 /nfs/dbraw/zinc/47/65/23/781476523.db2.gz XKQRDMCSEYDBFP-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148783228 781477418 /nfs/dbraw/zinc/47/74/18/781477418.db2.gz DZAGFLJCOTZXJQ-UHFFFAOYSA-N 1 1 318.399 -2.184 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148783228 781477428 /nfs/dbraw/zinc/47/74/28/781477428.db2.gz DZAGFLJCOTZXJQ-UHFFFAOYSA-N 1 1 318.399 -2.184 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CC(=O)NC(N)=O)C3)C1 ZINC001148748898 781477479 /nfs/dbraw/zinc/47/74/79/781477479.db2.gz ZTXUGJMRFRKFHD-NSHDSACASA-N 1 1 323.397 -1.333 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148834039 781478205 /nfs/dbraw/zinc/47/82/05/781478205.db2.gz UCGZEAQAFLJMBJ-UHFFFAOYSA-N 1 1 322.369 -2.079 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895323 781478331 /nfs/dbraw/zinc/47/83/31/781478331.db2.gz WJQDHYAWGMYSNX-VXGBXAGGSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895322 781478423 /nfs/dbraw/zinc/47/84/23/781478423.db2.gz WJQDHYAWGMYSNX-RYUDHWBXSA-N 1 1 314.386 -1.800 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148720648 781478540 /nfs/dbraw/zinc/47/85/40/781478540.db2.gz KMBRSFYHJBGSQT-UHFFFAOYSA-N 1 1 321.341 -1.993 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148720648 781478545 /nfs/dbraw/zinc/47/85/45/781478545.db2.gz KMBRSFYHJBGSQT-UHFFFAOYSA-N 1 1 321.341 -1.993 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001148726517 781478649 /nfs/dbraw/zinc/47/86/49/781478649.db2.gz MZCLVIJFMOJGFY-UHFFFAOYSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001148726517 781478656 /nfs/dbraw/zinc/47/86/56/781478656.db2.gz MZCLVIJFMOJGFY-UHFFFAOYSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ccnc3)C2)C1 ZINC001148905725 781480227 /nfs/dbraw/zinc/48/02/27/781480227.db2.gz KRSKBSKKQMRIFL-UHFFFAOYSA-N 1 1 320.353 -1.388 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ccnc3)C2)C1 ZINC001148905725 781480235 /nfs/dbraw/zinc/48/02/35/781480235.db2.gz KRSKBSKKQMRIFL-UHFFFAOYSA-N 1 1 320.353 -1.388 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002334 781480705 /nfs/dbraw/zinc/48/07/05/781480705.db2.gz IECSXYVOCQDMIZ-QWRGUYRKSA-N 1 1 313.354 -1.355 20 0 DAADMO COCC(=O)NC[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002334 781480707 /nfs/dbraw/zinc/48/07/07/781480707.db2.gz IECSXYVOCQDMIZ-QWRGUYRKSA-N 1 1 313.354 -1.355 20 0 DAADMO Cc1nonc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148906135 781480786 /nfs/dbraw/zinc/48/07/86/781480786.db2.gz ZVXYSXZSUWGZTE-UHFFFAOYSA-N 1 1 322.325 -1.279 20 0 DAADMO Cc1nonc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148906135 781480790 /nfs/dbraw/zinc/48/07/90/781480790.db2.gz ZVXYSXZSUWGZTE-UHFFFAOYSA-N 1 1 322.325 -1.279 20 0 DAADMO COCC(=O)NC[C@H]1C[N@H+](CCNS(C)(=O)=O)CCCO1 ZINC001149013102 781481362 /nfs/dbraw/zinc/48/13/62/781481362.db2.gz FJFWDGXTDDRYDR-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCCO1 ZINC001149013102 781481366 /nfs/dbraw/zinc/48/13/66/781481366.db2.gz FJFWDGXTDDRYDR-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901377 781484554 /nfs/dbraw/zinc/48/45/54/781484554.db2.gz ILSIWQCWUNBKML-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@]12CN(C(=O)CN3CCNC(=O)C3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091913387 781486007 /nfs/dbraw/zinc/48/60/07/781486007.db2.gz YWNSFACUFOONRE-DOMZBBRYSA-N 1 1 310.398 -1.809 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@]2(C)C1 ZINC001091915546 781486135 /nfs/dbraw/zinc/48/61/35/781486135.db2.gz YKWQLVRBJGCBJN-ZETOZRRWSA-N 1 1 323.397 -1.464 20 0 DAADMO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 ZINC001091912934 781486826 /nfs/dbraw/zinc/48/68/26/781486826.db2.gz NDUHUMJMNFCWQV-CJNGLKHVSA-N 1 1 324.425 -1.155 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)n1 ZINC001091928888 781487090 /nfs/dbraw/zinc/48/70/90/781487090.db2.gz XQXHWNNUUSMCFH-RULNRJAQSA-N 1 1 319.369 -1.508 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091809594 781487298 /nfs/dbraw/zinc/48/72/98/781487298.db2.gz MITDCZSWSRTYBQ-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC001091911151 781487459 /nfs/dbraw/zinc/48/74/59/781487459.db2.gz RAGVKTYBRKCGMU-HSMVNMDESA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091970775 781488404 /nfs/dbraw/zinc/48/84/04/781488404.db2.gz BTIOWOAHZIEWNQ-HFAKWTLXSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001091972261 781488454 /nfs/dbraw/zinc/48/84/54/781488454.db2.gz ZHRGDCNPVFNNEQ-OTYXRUKQSA-N 1 1 323.353 -2.196 20 0 DAADMO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@]2(C)C1 ZINC001092103588 781488600 /nfs/dbraw/zinc/48/86/00/781488600.db2.gz ZYEJMSWLXILBEJ-ABAIWWIYSA-N 1 1 324.381 -1.035 20 0 DAADMO C[C@]12CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092098433 781488922 /nfs/dbraw/zinc/48/89/22/781488922.db2.gz SWUAPMBJJMWMGR-BMIGLBTASA-N 1 1 322.365 -1.695 20 0 DAADMO C[C@]12CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091986346 781488992 /nfs/dbraw/zinc/48/89/92/781488992.db2.gz HLDIPEAUQFXLOA-ONERCXAPSA-N 1 1 308.382 -1.079 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O ZINC001091971573 781489341 /nfs/dbraw/zinc/48/93/41/781489341.db2.gz HQRUOLIGHGXPTR-ZETOZRRWSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001091971907 781489491 /nfs/dbraw/zinc/48/94/91/781489491.db2.gz SBWRDNFJIVESBA-BMIGLBTASA-N 1 1 322.365 -1.599 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 ZINC001092256864 781495404 /nfs/dbraw/zinc/49/54/04/781495404.db2.gz XHLDUZAIRHCWDJ-RISCZKNCSA-N 1 1 306.370 -1.196 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286947 781495904 /nfs/dbraw/zinc/49/59/04/781495904.db2.gz PWFQBILCSXFFTK-IOASZLSFSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092282541 781496497 /nfs/dbraw/zinc/49/64/97/781496497.db2.gz YXZROYSUJCGHBQ-WZRBSPASSA-N 1 1 317.411 -1.549 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 ZINC001092256860 781496642 /nfs/dbraw/zinc/49/66/42/781496642.db2.gz XESBKXJHEIYEBT-GYSYKLTISA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1COC(=O)N1 ZINC001092364975 781497891 /nfs/dbraw/zinc/49/78/91/781497891.db2.gz AEAZCODQTIFFKA-NXEZZACHSA-N 1 1 321.337 -1.444 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092387293 781498811 /nfs/dbraw/zinc/49/88/11/781498811.db2.gz UTXFGGLUULGLAC-VIFPVBQESA-N 1 1 318.341 -1.715 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001092692741 781499598 /nfs/dbraw/zinc/49/95/98/781499598.db2.gz FHKYBGPJGKGKDJ-NXEZZACHSA-N 1 1 307.354 -1.437 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092410628 781500910 /nfs/dbraw/zinc/50/09/10/781500910.db2.gz MTRLJDATKFVHIY-NSHDSACASA-N 1 1 317.353 -1.261 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC001092841399 781501802 /nfs/dbraw/zinc/50/18/02/781501802.db2.gz MDMRKXDDGYOVIF-OUAUKWLOSA-N 1 1 321.381 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001092896101 781502423 /nfs/dbraw/zinc/50/24/23/781502423.db2.gz KRCVLWIUJHSRCL-UTUOFQBUSA-N 1 1 310.398 -1.105 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001092823636 781502860 /nfs/dbraw/zinc/50/28/60/781502860.db2.gz RWLWXYOPOMSXIO-MWLCHTKSSA-N 1 1 317.353 -1.093 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927842 781502898 /nfs/dbraw/zinc/50/28/98/781502898.db2.gz CZZBEZVWWBYUKF-CKYFFXLPSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001092921008 781503137 /nfs/dbraw/zinc/50/31/37/781503137.db2.gz MMEADAJBXCHALQ-CKYFFXLPSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928306 781504251 /nfs/dbraw/zinc/50/42/51/781504251.db2.gz JUBJTGWAYLUQJU-CKYFFXLPSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928306 781504256 /nfs/dbraw/zinc/50/42/56/781504256.db2.gz JUBJTGWAYLUQJU-CKYFFXLPSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001093045579 781504757 /nfs/dbraw/zinc/50/47/57/781504757.db2.gz KWLRLXMBYRHAFF-IJLUTSLNSA-N 1 1 319.427 -1.303 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092929326 781505183 /nfs/dbraw/zinc/50/51/83/781505183.db2.gz SUYJNLYKPJOVIE-MXWKQRLJSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092929326 781505184 /nfs/dbraw/zinc/50/51/84/781505184.db2.gz SUYJNLYKPJOVIE-MXWKQRLJSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928307 781505585 /nfs/dbraw/zinc/50/55/85/781505585.db2.gz JUBJTGWAYLUQJU-FOGDFJRCSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928307 781505588 /nfs/dbraw/zinc/50/55/88/781505588.db2.gz JUBJTGWAYLUQJU-FOGDFJRCSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001093067963 781505681 /nfs/dbraw/zinc/50/56/81/781505681.db2.gz OBDAIRXZBFHUHV-RKDXNWHRSA-N 1 1 321.341 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001093067963 781505690 /nfs/dbraw/zinc/50/56/90/781505690.db2.gz OBDAIRXZBFHUHV-RKDXNWHRSA-N 1 1 321.341 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC001093049882 781505776 /nfs/dbraw/zinc/50/57/76/781505776.db2.gz ZZGIUOCRVVQJRY-MWLCHTKSSA-N 1 1 324.381 -1.531 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC001093180526 781506680 /nfs/dbraw/zinc/50/66/80/781506680.db2.gz KCBHWUAWJCFIFN-GMTAPVOTSA-N 1 1 321.381 -1.048 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001093169613 781506726 /nfs/dbraw/zinc/50/67/26/781506726.db2.gz IRWVXZVHSGWMEE-BNOWGMLFSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203518 781506753 /nfs/dbraw/zinc/50/67/53/781506753.db2.gz SIAYXNWOKPJXDZ-GMTAPVOTSA-N 1 1 305.400 -1.646 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001093184301 781506775 /nfs/dbraw/zinc/50/67/75/781506775.db2.gz JRIAVXDDFPAQDI-NXEZZACHSA-N 1 1 307.354 -1.135 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149714498 781506820 /nfs/dbraw/zinc/50/68/20/781506820.db2.gz GOHHURHONBNRDW-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001093130073 781506845 /nfs/dbraw/zinc/50/68/45/781506845.db2.gz FDAHNLVDFPPCAD-NXEZZACHSA-N 1 1 320.353 -1.292 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213965 781508344 /nfs/dbraw/zinc/50/83/44/781508344.db2.gz JKYRSHSERMSSIO-UPJWGTAASA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001093232074 781509168 /nfs/dbraw/zinc/50/91/68/781509168.db2.gz UBVUDSMABBHZEL-NXEZZACHSA-N 1 1 309.370 -1.493 20 0 DAADMO CNC(=O)CC(=O)N1CCC([N@H+](CCO)CC(=O)NC)CC1 ZINC001098352146 781510774 /nfs/dbraw/zinc/51/07/74/781510774.db2.gz AWDUUXLQYRHCNC-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO COC(=O)c1nccc(NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001093542544 781514219 /nfs/dbraw/zinc/51/42/19/781514219.db2.gz GPHUXTLRGUIVSR-JTQLQIEISA-N 1 1 323.353 -1.456 20 0 DAADMO COC(=O)c1nccc(NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001093542544 781514224 /nfs/dbraw/zinc/51/42/24/781514224.db2.gz GPHUXTLRGUIVSR-JTQLQIEISA-N 1 1 323.353 -1.456 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093654660 781517986 /nfs/dbraw/zinc/51/79/86/781517986.db2.gz JGHMFICPAMJVPX-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093654660 781517992 /nfs/dbraw/zinc/51/79/92/781517992.db2.gz JGHMFICPAMJVPX-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093647735 781518861 /nfs/dbraw/zinc/51/88/61/781518861.db2.gz DJBGBTOWXBACHF-UTUOFQBUSA-N 1 1 324.385 -1.190 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149804560 781525276 /nfs/dbraw/zinc/52/52/76/781525276.db2.gz RAVGPHRZXZGHSR-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNc1cc(C)[nH+]c(C)n1 ZINC001094007328 781526340 /nfs/dbraw/zinc/52/63/40/781526340.db2.gz MFAOOCRKNQAPCC-UHFFFAOYSA-N 1 1 316.387 -1.325 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094279131 781535021 /nfs/dbraw/zinc/53/50/21/781535021.db2.gz YDHOAJTVCZOYNW-ZDUSSCGKSA-N 1 1 308.386 -1.163 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 ZINC001094281012 781537069 /nfs/dbraw/zinc/53/70/69/781537069.db2.gz GHRXNJJZKRCGOY-BXKDBHETSA-N 1 1 322.369 -1.590 20 0 DAADMO Cn1nnc(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)n1 ZINC001094310428 781537777 /nfs/dbraw/zinc/53/77/77/781537777.db2.gz JUVPBZHYQWCVOC-UHFFFAOYSA-N 1 1 321.345 -2.029 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@@H]1CCNC1=O ZINC001094311116 781537855 /nfs/dbraw/zinc/53/78/55/781537855.db2.gz JLPKJDIIQZCIRT-GFCCVEGCSA-N 1 1 322.369 -1.731 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001094310429 781538322 /nfs/dbraw/zinc/53/83/22/781538322.db2.gz JYKVARFOXGFBME-MRVPVSSYSA-N 1 1 321.345 -2.031 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094315905 781539850 /nfs/dbraw/zinc/53/98/50/781539850.db2.gz COOUGYFWDLPWEH-BXUZGUMPSA-N 1 1 322.413 -1.059 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC001094288232 781539890 /nfs/dbraw/zinc/53/98/90/781539890.db2.gz KAUWVMRYJZIKDF-SECBINFHSA-N 1 1 320.357 -1.426 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC001094287162 781539958 /nfs/dbraw/zinc/53/99/58/781539958.db2.gz DUFVRTRFJCRDIU-GZMMTYOYSA-N 1 1 324.341 -1.760 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)nn2)C1 ZINC001094318985 781540448 /nfs/dbraw/zinc/54/04/48/781540448.db2.gz IVNJSGPCLSHMKH-NWDGAFQWSA-N 1 1 322.369 -1.196 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001094326288 781541593 /nfs/dbraw/zinc/54/15/93/781541593.db2.gz CFCKOPBUYPIVFW-VIFPVBQESA-N 1 1 320.357 -1.426 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001094330532 781541691 /nfs/dbraw/zinc/54/16/91/781541691.db2.gz KKUGQZZEZGQCQU-MRVPVSSYSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncc(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)n1 ZINC001094326802 781542068 /nfs/dbraw/zinc/54/20/68/781542068.db2.gz NVVDCKQRZNXCDR-UHFFFAOYSA-N 1 1 320.357 -1.424 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1csnn1 ZINC001099934900 781543103 /nfs/dbraw/zinc/54/31/03/781543103.db2.gz FQNXXNXOPUFRMB-KOLCDFICSA-N 1 1 316.383 -1.288 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)C1 ZINC001094339160 781543238 /nfs/dbraw/zinc/54/32/38/781543238.db2.gz USPYYOFVGDZCNR-SNVBAGLBSA-N 1 1 321.385 -1.812 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935425 781544505 /nfs/dbraw/zinc/54/45/05/781544505.db2.gz NQSNHTBQYXDZCL-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@H](O)C1 ZINC001099935425 781544514 /nfs/dbraw/zinc/54/45/14/781544514.db2.gz NQSNHTBQYXDZCL-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935424 781545378 /nfs/dbraw/zinc/54/53/78/781545378.db2.gz NQSNHTBQYXDZCL-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC(F)F)[C@@H](O)C1 ZINC001099935424 781545386 /nfs/dbraw/zinc/54/53/86/781545386.db2.gz NQSNHTBQYXDZCL-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn[nH]c3)CC2=O)C1 ZINC001094707886 781549287 /nfs/dbraw/zinc/54/92/87/781549287.db2.gz QKNHMMLKQIWXAW-MWLCHTKSSA-N 1 1 307.354 -1.195 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cn[nH]c1 ZINC001094707437 781549562 /nfs/dbraw/zinc/54/95/62/781549562.db2.gz LCXUMKPMYWOIFQ-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]c3)CC2=O)C1 ZINC001094707887 781549730 /nfs/dbraw/zinc/54/97/30/781549730.db2.gz QKNHMMLKQIWXAW-ONGXEEELSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccn[nH]3)CC2=O)C1 ZINC001094709902 781550979 /nfs/dbraw/zinc/55/09/79/781550979.db2.gz PMJIQPWEXFIOKR-UWVGGRQHSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccn[nH]3)CC2=O)C1 ZINC001094709904 781551464 /nfs/dbraw/zinc/55/14/64/781551464.db2.gz PMJIQPWEXFIOKR-VHSXEESVSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094714376 781552027 /nfs/dbraw/zinc/55/20/27/781552027.db2.gz VWSFGKAVFDUWSS-PWSUYJOCSA-N 1 1 323.397 -2.033 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CN(C)CCO3)CC2=O)C1 ZINC001094715431 781552767 /nfs/dbraw/zinc/55/27/67/781552767.db2.gz LTHNQBJSTOPIRS-YPMHNXCESA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 ZINC001094713756 781552869 /nfs/dbraw/zinc/55/28/69/781552869.db2.gz HDCPFYGIFNMBGZ-JQWIXIFHSA-N 1 1 322.365 -1.001 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001094690508 781555979 /nfs/dbraw/zinc/55/59/79/781555979.db2.gz UZNIHEYYYSYUKM-OCCSQVGLSA-N 1 1 321.381 -1.335 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700003 781557225 /nfs/dbraw/zinc/55/72/25/781557225.db2.gz AVVIMWMDELIZAR-NXEZZACHSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cnccn1 ZINC001094698512 781557618 /nfs/dbraw/zinc/55/76/18/781557618.db2.gz FBXLNAZSVCJENN-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094702521 781558355 /nfs/dbraw/zinc/55/83/55/781558355.db2.gz BJPPPYVTSFAXOP-JQWIXIFHSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094702522 781558486 /nfs/dbraw/zinc/55/84/86/781558486.db2.gz BJPPPYVTSFAXOP-PWSUYJOCSA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094701440 781558991 /nfs/dbraw/zinc/55/89/91/781558991.db2.gz PJLRVEZJZXKXMQ-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094759392 781559850 /nfs/dbraw/zinc/55/98/50/781559850.db2.gz IFLOXVYXWXOIBV-LBPRGKRZSA-N 1 1 321.381 -1.415 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)nn1 ZINC001094729889 781561385 /nfs/dbraw/zinc/56/13/85/781561385.db2.gz NACRLPKIQRGIQA-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 ZINC001094730209 781561735 /nfs/dbraw/zinc/56/17/35/781561735.db2.gz UVNOXAZQDPNCFM-MWLCHTKSSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ncc[nH]1 ZINC001094734349 781562706 /nfs/dbraw/zinc/56/27/06/781562706.db2.gz WPNGWBYBNBNVIJ-SNVBAGLBSA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734413 781562758 /nfs/dbraw/zinc/56/27/58/781562758.db2.gz YERLLYXUMIYTSU-UWVGGRQHSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094733993 781562863 /nfs/dbraw/zinc/56/28/63/781562863.db2.gz PBIXVNBSXRXLJM-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cncnc1 ZINC001094731683 781563131 /nfs/dbraw/zinc/56/31/31/781563131.db2.gz QNOHFSWBJBJHMR-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C3CN(C(C)=O)C3)CC2=O)C1 ZINC001094732169 781563781 /nfs/dbraw/zinc/56/37/81/781563781.db2.gz ZBJQHCSQGIUXSC-GFCCVEGCSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)CC[N@H+]1C ZINC001094738318 781564312 /nfs/dbraw/zinc/56/43/12/781564312.db2.gz JEDOQQKPIZPOSD-MBNYWOFBSA-N 1 1 324.425 -1.280 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094735337 781564513 /nfs/dbraw/zinc/56/45/13/781564513.db2.gz LDEHXIPRRNOLRE-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@]12C[C@H]1COC2 ZINC001094736142 781564743 /nfs/dbraw/zinc/56/47/43/781564743.db2.gz DOCUKUHHMSMGIJ-MKBNYLNASA-N 1 1 323.393 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736545 781565151 /nfs/dbraw/zinc/56/51/51/781565151.db2.gz KSOUVNXVENUOOC-VHSXEESVSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094741328 781565814 /nfs/dbraw/zinc/56/58/14/781565814.db2.gz BTUYFXKINHTLRZ-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742563 781566636 /nfs/dbraw/zinc/56/66/36/781566636.db2.gz QXHJCXMNZMFAND-MNOVXSKESA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094751908 781567681 /nfs/dbraw/zinc/56/76/81/781567681.db2.gz ZECFIMHZTHWAHF-JSGCOSHPSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094766638 781569240 /nfs/dbraw/zinc/56/92/40/781569240.db2.gz MMHUBZZVJBFMMQ-BMIGLBTASA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094771352 781570680 /nfs/dbraw/zinc/57/06/80/781570680.db2.gz JHBARHYLIVOGCY-ZYHUDNBSSA-N 1 1 308.382 -1.068 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001094770952 781570811 /nfs/dbraw/zinc/57/08/11/781570811.db2.gz FHCCRZWDAGYTJT-MUYACECFSA-N 1 1 323.393 -1.338 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768201 781571514 /nfs/dbraw/zinc/57/15/14/781571514.db2.gz QRXSGJYTPKRFPU-ONGXEEELSA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773613 781572086 /nfs/dbraw/zinc/57/20/86/781572086.db2.gz FGRFVDYLZFKTJC-RKDXNWHRSA-N 1 1 323.357 -2.394 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2=O)C1 ZINC001094776805 781572152 /nfs/dbraw/zinc/57/21/52/781572152.db2.gz GPNTYSZKVUXLHR-ONGXEEELSA-N 1 1 309.370 -1.523 20 0 DAADMO C[C@H](F)CC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778522 781573782 /nfs/dbraw/zinc/57/37/82/781573782.db2.gz FATIMUKBODCBQB-DTWKUNHWSA-N 1 1 300.334 -1.379 20 0 DAADMO C[C@H](F)CC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778523 781574347 /nfs/dbraw/zinc/57/43/47/781574347.db2.gz FATIMUKBODCBQB-IUCAKERBSA-N 1 1 300.334 -1.379 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001094778524 781574598 /nfs/dbraw/zinc/57/45/98/781574598.db2.gz FATIMUKBODCBQB-RKDXNWHRSA-N 1 1 300.334 -1.379 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 ZINC001094786126 781576671 /nfs/dbraw/zinc/57/66/71/781576671.db2.gz RWKCCZIFHVOJRD-WCQGTBRESA-N 1 1 308.382 -1.081 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2=O)C1 ZINC001094793958 781578120 /nfs/dbraw/zinc/57/81/20/781578120.db2.gz UZFXWUFMFFHTLE-SCZZXKLOSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094789144 781578670 /nfs/dbraw/zinc/57/86/70/781578670.db2.gz WMCLNOHXWQEGGE-CMPLNLGQSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)CC2=O)C1 ZINC001094795798 781579675 /nfs/dbraw/zinc/57/96/75/781579675.db2.gz ZMJUQLRZLNSDDO-JTQLQIEISA-N 1 1 322.365 -1.540 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc(=O)n(C)n3)CC2=O)C1 ZINC001094813256 781580218 /nfs/dbraw/zinc/58/02/18/781580218.db2.gz DHZUQPPQUINOOU-SNVBAGLBSA-N 1 1 319.365 -1.185 20 0 DAADMO COCCN1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814807 781580237 /nfs/dbraw/zinc/58/02/37/781580237.db2.gz JFVWLQSUTHXBAF-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO COCCN1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814804 781580716 /nfs/dbraw/zinc/58/07/16/781580716.db2.gz JFVWLQSUTHXBAF-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094814161 781580824 /nfs/dbraw/zinc/58/08/24/781580824.db2.gz AHROSEYRQQQJBQ-MNOVXSKESA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccn(C)n3)CC2=O)C1 ZINC001094814551 781581209 /nfs/dbraw/zinc/58/12/09/781581209.db2.gz GDOZFSZIJFYWFR-MNOVXSKESA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ncccn1 ZINC001094803143 781582336 /nfs/dbraw/zinc/58/23/36/781582336.db2.gz HLIMPQYGDIDQPY-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094802528 781582405 /nfs/dbraw/zinc/58/24/05/781582405.db2.gz BUNOCSCMRCEXQV-LLVKDONJSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094821906 781583542 /nfs/dbraw/zinc/58/35/42/781583542.db2.gz XUUSRRPYTONWAM-WPRPVWTQSA-N 1 1 323.353 -1.226 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094821834 781584572 /nfs/dbraw/zinc/58/45/72/781584572.db2.gz XUUSRRPYTONWAM-PSASIEDQSA-N 1 1 323.353 -1.226 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1 ZINC001094822549 781584735 /nfs/dbraw/zinc/58/47/35/781584735.db2.gz KSQHDDCRDYGEFL-VXGBXAGGSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094822339 781584909 /nfs/dbraw/zinc/58/49/09/781584909.db2.gz DSPKXHRVBRPYIH-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099938072 781587892 /nfs/dbraw/zinc/58/78/92/781587892.db2.gz QCUVTZUJKPCJJY-UWVGGRQHSA-N 1 1 308.404 -2.000 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC(N)=O)C3)n1 ZINC001094881881 781588941 /nfs/dbraw/zinc/58/89/41/781588941.db2.gz CAADPZUZHOWOGT-GUBZILKMSA-N 1 1 307.358 -1.445 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCn2ccnn2)CC1 ZINC001098357040 781589490 /nfs/dbraw/zinc/58/94/90/781589490.db2.gz WEZXNUZBNGZJGI-UHFFFAOYSA-N 1 1 324.385 -1.561 20 0 DAADMO CCC[N@H+]1CCCO[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001150021664 781589707 /nfs/dbraw/zinc/58/97/07/781589707.db2.gz LEKHDTGDAPKWDD-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095155128 781593466 /nfs/dbraw/zinc/59/34/66/781593466.db2.gz GWJYXJCEKMUQRO-WYUUTHIRSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095155128 781593472 /nfs/dbraw/zinc/59/34/72/781593472.db2.gz GWJYXJCEKMUQRO-WYUUTHIRSA-N 1 1 321.385 -1.129 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)nn1 ZINC001098358344 781593830 /nfs/dbraw/zinc/59/38/30/781593830.db2.gz KYABBFBQBGKBNJ-UHFFFAOYSA-N 1 1 310.358 -1.801 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157007 781593950 /nfs/dbraw/zinc/59/39/50/781593950.db2.gz VJRCRBWEDWMEMF-ZNSHCXBVSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157007 781593954 /nfs/dbraw/zinc/59/39/54/781593954.db2.gz VJRCRBWEDWMEMF-ZNSHCXBVSA-N 1 1 307.358 -1.471 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C[C@@H]1C(=O)OC ZINC001173570054 781595218 /nfs/dbraw/zinc/59/52/18/781595218.db2.gz PQWWMILHNLKVIP-KZVJFYERSA-N 1 1 315.326 -1.954 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217623 781595244 /nfs/dbraw/zinc/59/52/44/781595244.db2.gz ADDJPMFXSBSOOT-RKDXNWHRSA-N 1 1 312.326 -2.516 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217623 781595251 /nfs/dbraw/zinc/59/52/51/781595251.db2.gz ADDJPMFXSBSOOT-RKDXNWHRSA-N 1 1 312.326 -2.516 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCNC(=O)c1ccco1 ZINC001150284595 781596903 /nfs/dbraw/zinc/59/69/03/781596903.db2.gz AYTNLJWRDRQXDJ-UHFFFAOYSA-N 1 1 321.341 -1.171 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)nn1C ZINC001150331947 781597512 /nfs/dbraw/zinc/59/75/12/781597512.db2.gz PCJAGMDLINDCRC-UHFFFAOYSA-N 1 1 322.369 -1.172 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)o1 ZINC001174919743 781600993 /nfs/dbraw/zinc/60/09/93/781600993.db2.gz QTXSVCRVZROCPT-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)n1 ZINC001150465754 781603731 /nfs/dbraw/zinc/60/37/31/781603731.db2.gz DGOLKGLZTZHQIZ-UHFFFAOYSA-N 1 1 322.369 -1.039 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150452906 781604026 /nfs/dbraw/zinc/60/40/26/781604026.db2.gz JKHLBTUACRTFMB-SNVBAGLBSA-N 1 1 314.342 -2.262 20 0 DAADMO COc1cccc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001175357607 781604851 /nfs/dbraw/zinc/60/48/51/781604851.db2.gz INNHHLNIVRKIMY-IHRRRGAJSA-N 1 1 306.370 -1.458 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC001175549405 781605823 /nfs/dbraw/zinc/60/58/23/781605823.db2.gz KVHMWJDWLNZDRG-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001175567381 781607775 /nfs/dbraw/zinc/60/77/75/781607775.db2.gz LSASIBGOLOIGAJ-UHFFFAOYSA-N 1 1 324.341 -1.220 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001175557611 781608063 /nfs/dbraw/zinc/60/80/63/781608063.db2.gz RKRKGVKMDWEIHL-UHFFFAOYSA-N 1 1 310.314 -1.474 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001176162806 781613617 /nfs/dbraw/zinc/61/36/17/781613617.db2.gz ZYLVMBZMCYVENW-VXGBXAGGSA-N 1 1 300.403 -1.076 20 0 DAADMO O=C(NCCC[NH2+]Cc1csnn1)[C@@H]1CCS(=O)(=O)N1 ZINC001176288404 781615023 /nfs/dbraw/zinc/61/50/23/781615023.db2.gz HQSJQWUUWNKPMJ-VIFPVBQESA-N 1 1 319.412 -1.174 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2CCS(=O)(=O)N2)o1 ZINC001176290157 781616041 /nfs/dbraw/zinc/61/60/41/781616041.db2.gz ZOWFAYNUUSTQBU-SECBINFHSA-N 1 1 317.371 -1.334 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907705 781626346 /nfs/dbraw/zinc/62/63/46/781626346.db2.gz RNPGZTREDQMAIN-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907705 781626347 /nfs/dbraw/zinc/62/63/47/781626347.db2.gz RNPGZTREDQMAIN-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@H+](CCOC)[C@@H]2C1 ZINC001177024522 781630049 /nfs/dbraw/zinc/63/00/49/781630049.db2.gz IKLMJZINLJREGO-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC)[C@@H]2C1 ZINC001177024522 781630054 /nfs/dbraw/zinc/63/00/54/781630054.db2.gz IKLMJZINLJREGO-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001177090370 781631455 /nfs/dbraw/zinc/63/14/55/781631455.db2.gz MJOVPUZNFXFQTB-SECBINFHSA-N 1 1 318.403 -1.513 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001177143687 781632874 /nfs/dbraw/zinc/63/28/74/781632874.db2.gz HAYMNIBNHKFESS-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001177143687 781632879 /nfs/dbraw/zinc/63/28/79/781632879.db2.gz HAYMNIBNHKFESS-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691727 781635096 /nfs/dbraw/zinc/63/50/96/781635096.db2.gz DZZDKPVRXAVKPW-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1ccnc(SCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001177502220 781635403 /nfs/dbraw/zinc/63/54/03/781635403.db2.gz RLISCULVFZIFRG-DCAQKATOSA-N 1 1 309.399 -1.604 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)[C@H]2NCN[C@@H]21 ZINC001177629712 781638391 /nfs/dbraw/zinc/63/83/91/781638391.db2.gz RWRJBCVPIFMECZ-REWJHTLYSA-N 1 1 320.397 -1.237 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)[C@H]2NCN[C@@H]21 ZINC001177629712 781638397 /nfs/dbraw/zinc/63/83/97/781638397.db2.gz RWRJBCVPIFMECZ-REWJHTLYSA-N 1 1 320.397 -1.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150731050 781639342 /nfs/dbraw/zinc/63/93/42/781639342.db2.gz BKSURACQINDQLH-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150731057 781639934 /nfs/dbraw/zinc/63/99/34/781639934.db2.gz BKSURACQINDQLH-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO COc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)c1 ZINC001178043574 781640906 /nfs/dbraw/zinc/64/09/06/781640906.db2.gz MYWCNOCSSFHXQX-AGIUHOORSA-N 1 1 318.381 -1.359 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)CNC(N)=O)n1 ZINC001177867945 781640989 /nfs/dbraw/zinc/64/09/89/781640989.db2.gz WYDXCHIGOPWBMV-UHFFFAOYSA-N 1 1 312.378 -1.355 20 0 DAADMO COc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001178180851 781643769 /nfs/dbraw/zinc/64/37/69/781643769.db2.gz BQVWJXLMHZWLOV-WXHSDQCUSA-N 1 1 318.381 -1.359 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)[C@@H]1C ZINC001178563490 781649172 /nfs/dbraw/zinc/64/91/72/781649172.db2.gz LLNBDQMUPWRCCY-XKNYDFJKSA-N 1 1 324.389 -1.093 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001178703041 781650242 /nfs/dbraw/zinc/65/02/42/781650242.db2.gz ZKSCAPBJJITVOM-GRRZBWEESA-N 1 1 304.343 -2.613 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001178703041 781650247 /nfs/dbraw/zinc/65/02/47/781650247.db2.gz ZKSCAPBJJITVOM-GRRZBWEESA-N 1 1 304.343 -2.613 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@@H]1C ZINC001178839188 781652089 /nfs/dbraw/zinc/65/20/89/781652089.db2.gz ASMPIHUFORPJAI-ONGXEEELSA-N 1 1 309.374 -1.177 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCOCCN2C(=O)C=CC2=O)CC1 ZINC001178956585 781653586 /nfs/dbraw/zinc/65/35/86/781653586.db2.gz WCDVIEDIWVQSRE-UHFFFAOYSA-N 1 1 324.381 -1.708 20 0 DAADMO COCC[NH+]1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 ZINC001179030975 781655986 /nfs/dbraw/zinc/65/59/86/781655986.db2.gz JJCUAHNJIAIGCS-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179284764 781657290 /nfs/dbraw/zinc/65/72/90/781657290.db2.gz AMMZWODXFPADGF-VGMNWLOBSA-N 1 1 323.357 -1.111 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001179414578 781660192 /nfs/dbraw/zinc/66/01/92/781660192.db2.gz FRHSKKOVKDRMCI-SNVBAGLBSA-N 1 1 324.389 -1.342 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCc1c[nH]nn1 ZINC001179557643 781661674 /nfs/dbraw/zinc/66/16/74/781661674.db2.gz LGXPFDADDUDWLH-WPRPVWTQSA-N 1 1 323.357 -1.489 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCc1cnn[nH]1 ZINC001179557643 781661680 /nfs/dbraw/zinc/66/16/80/781661680.db2.gz LGXPFDADDUDWLH-WPRPVWTQSA-N 1 1 323.357 -1.489 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COc2ccc(CO)cc2)[C@@H]2NCN[C@@H]21 ZINC001179664649 781661719 /nfs/dbraw/zinc/66/17/19/781661719.db2.gz DEVUQAIEFCTQKY-MCIONIFRSA-N 1 1 307.354 -1.923 20 0 DAADMO COc1cccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1OC ZINC001179970905 781664658 /nfs/dbraw/zinc/66/46/58/781664658.db2.gz KWMZKNQVLDULKL-SNPRPXQTSA-N 1 1 321.381 -1.235 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H](CO)[C@@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001206406615 781665504 /nfs/dbraw/zinc/66/55/04/781665504.db2.gz ZQVOSXPNGOAEMU-USTYEKHQSA-N 1 1 303.355 -1.101 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)[C@@H]1C ZINC001180152277 781666690 /nfs/dbraw/zinc/66/66/90/781666690.db2.gz MNKURXOERKLMSE-WPRPVWTQSA-N 1 1 317.371 -1.302 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2ncc3ccccc32)[C@H]2NCN[C@H]21 ZINC001180065891 781666834 /nfs/dbraw/zinc/66/68/34/781666834.db2.gz RCDRVYUFXYESIT-RRFJBIMHSA-N 1 1 315.381 -1.055 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C)c1nnnn1C ZINC001180101059 781666877 /nfs/dbraw/zinc/66/68/77/781666877.db2.gz LRFPQZQQSVJGEF-GUBZILKMSA-N 1 1 324.389 -1.092 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001180190880 781667846 /nfs/dbraw/zinc/66/78/46/781667846.db2.gz KGHPTRAMGMVYEF-ASEORRQLSA-N 1 1 317.349 -1.193 20 0 DAADMO CC(C)N1CCN(CC(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001180342389 781669541 /nfs/dbraw/zinc/66/95/41/781669541.db2.gz SCHCJVPUXSPHHD-UHFFFAOYSA-N 1 1 306.432 -1.241 20 0 DAADMO COc1cc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1F ZINC001180429928 781672201 /nfs/dbraw/zinc/67/22/01/781672201.db2.gz QXKAMPVNGYBQBO-IHRRRGAJSA-N 1 1 309.345 -1.104 20 0 DAADMO CN(C)c1cccc(OCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001180618205 781672976 /nfs/dbraw/zinc/67/29/76/781672976.db2.gz KFDYKSJZGYYKQU-QLFBSQMISA-N 1 1 320.397 -1.350 20 0 DAADMO Cc1cc(N(C(N)=[NH2+])C(=O)CN2CCS(=O)(=O)CC2)n[nH]1 ZINC001180597254 781674682 /nfs/dbraw/zinc/67/46/82/781674682.db2.gz IBKXGMQQNRLSFA-UHFFFAOYSA-N 1 1 314.371 -1.325 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760299 781675549 /nfs/dbraw/zinc/67/55/49/781675549.db2.gz SLTFVSIDYLAVHV-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760299 781675552 /nfs/dbraw/zinc/67/55/52/781675552.db2.gz SLTFVSIDYLAVHV-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CC(=O)N1CCC(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001180659277 781676451 /nfs/dbraw/zinc/67/64/51/781676451.db2.gz VANHFEFLKFSGTE-MELADBBJSA-N 1 1 310.402 -1.846 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763618 781677566 /nfs/dbraw/zinc/67/75/66/781677566.db2.gz KEFXLOVRAKRFJB-NWDGAFQWSA-N 1 1 310.354 -1.049 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763618 781677571 /nfs/dbraw/zinc/67/75/71/781677571.db2.gz KEFXLOVRAKRFJB-NWDGAFQWSA-N 1 1 310.354 -1.049 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(C)=O ZINC001180760567 781677772 /nfs/dbraw/zinc/67/77/72/781677772.db2.gz WUNCRBOXWDWLPZ-RYUDHWBXSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(C)=O ZINC001180760567 781677774 /nfs/dbraw/zinc/67/77/74/781677774.db2.gz WUNCRBOXWDWLPZ-RYUDHWBXSA-N 1 1 313.354 -1.451 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180761435 781677823 /nfs/dbraw/zinc/67/78/23/781677823.db2.gz ZBGUIFINQNTAAD-SWLSCSKDSA-N 1 1 324.381 -1.734 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180761435 781677826 /nfs/dbraw/zinc/67/78/26/781677826.db2.gz ZBGUIFINQNTAAD-SWLSCSKDSA-N 1 1 324.381 -1.734 20 0 DAADMO COC(=O)C1CC2(C1)CC(C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C2 ZINC001181065234 781681654 /nfs/dbraw/zinc/68/16/54/781681654.db2.gz UJBGIZLHHOMXAC-FPLPLQNNSA-N 1 1 323.397 -1.515 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3nccnc3c2)[C@@H]2NCN[C@@H]21 ZINC001181025846 781682148 /nfs/dbraw/zinc/68/21/48/781682148.db2.gz WIDJPGVRCICWNI-KFWWJZLASA-N 1 1 313.365 -1.309 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)c1nnnn1C ZINC001181242026 781684760 /nfs/dbraw/zinc/68/47/60/781684760.db2.gz BRTUYAVGGPLZTC-GXSJLCMTSA-N 1 1 321.385 -1.012 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)c1nnnn1C ZINC001181242027 781685617 /nfs/dbraw/zinc/68/56/17/781685617.db2.gz BRTUYAVGGPLZTC-MWLCHTKSSA-N 1 1 321.385 -1.012 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001181240617 781686147 /nfs/dbraw/zinc/68/61/47/781686147.db2.gz XILGCPPUBHXENQ-QMTHXVAHSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001181228744 781686312 /nfs/dbraw/zinc/68/63/12/781686312.db2.gz FTBZRDFJUNSRKO-XDQVBPFNSA-N 1 1 318.381 -1.617 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181184945 781686386 /nfs/dbraw/zinc/68/63/86/781686386.db2.gz JLCYQPSTLJRSGM-SNVBAGLBSA-N 1 1 307.358 -1.573 20 0 DAADMO CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181341854 781687533 /nfs/dbraw/zinc/68/75/33/781687533.db2.gz BBQFOISHLGJRLX-LURQLKTLSA-N 1 1 324.307 -2.037 20 0 DAADMO CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181341845 781688159 /nfs/dbraw/zinc/68/81/59/781688159.db2.gz BBQFOISHLGJRLX-HXFLIBJXSA-N 1 1 324.307 -2.037 20 0 DAADMO COc1ccc(F)cc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181695307 781691001 /nfs/dbraw/zinc/69/10/01/781691001.db2.gz VLDWTBGDOIFHHZ-HZSPNIEDSA-N 1 1 309.345 -1.104 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001181608269 781691055 /nfs/dbraw/zinc/69/10/55/781691055.db2.gz ABXKLXXJSAJMOG-SECBINFHSA-N 1 1 308.342 -1.022 20 0 DAADMO COc1ccc(F)cc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181695315 781691212 /nfs/dbraw/zinc/69/12/12/781691212.db2.gz VLDWTBGDOIFHHZ-IHRRRGAJSA-N 1 1 309.345 -1.104 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001181801692 781692357 /nfs/dbraw/zinc/69/23/57/781692357.db2.gz OALXAZGLIPZFJQ-WCBMZHEXSA-N 1 1 308.342 -1.274 20 0 DAADMO COc1ccc(COCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001181754952 781692935 /nfs/dbraw/zinc/69/29/35/781692935.db2.gz GMRMTLQDHMBVPV-QLFBSQMISA-N 1 1 321.381 -1.269 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc(Cl)ccc2=O)[C@@H]2NCN[C@H]21 ZINC001181896296 781693970 /nfs/dbraw/zinc/69/39/70/781693970.db2.gz NDVRQRRBSHUCGM-AXFHLTTASA-N 1 1 313.749 -2.584 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc(Cl)ccc2=O)[C@H]2NCN[C@@H]21 ZINC001181896309 781694128 /nfs/dbraw/zinc/69/41/28/781694128.db2.gz NDVRQRRBSHUCGM-GMTAPVOTSA-N 1 1 313.749 -2.584 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc(Cl)ccc2=O)[C@@H]2NCN[C@@H]21 ZINC001181896311 781694455 /nfs/dbraw/zinc/69/44/55/781694455.db2.gz NDVRQRRBSHUCGM-MXWKQRLJSA-N 1 1 313.749 -2.584 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1)C(=O)NC(N)=O ZINC001181916801 781694807 /nfs/dbraw/zinc/69/48/07/781694807.db2.gz HKDSXUHKPLHVIP-DTWKUNHWSA-N 1 1 323.357 -1.489 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001181916659 781695177 /nfs/dbraw/zinc/69/51/77/781695177.db2.gz DBCKBKNWSHRVTK-MRVPVSSYSA-N 1 1 309.330 -1.877 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H]2NCN[C@H]21 ZINC001182064366 781698219 /nfs/dbraw/zinc/69/82/19/781698219.db2.gz IPYKGGFOHMMILV-MJBXVCDLSA-N 1 1 301.354 -1.376 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182193825 781700351 /nfs/dbraw/zinc/70/03/51/781700351.db2.gz DKJILEFAXQWUQS-VHSXEESVSA-N 1 1 324.389 -1.170 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110266820 781702016 /nfs/dbraw/zinc/70/20/16/781702016.db2.gz IEGPLVMMYRYLKC-KKOKHZNYSA-N 1 1 310.358 -1.598 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110266676 781702336 /nfs/dbraw/zinc/70/23/36/781702336.db2.gz CZRYCKYPFVVEFB-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110267054 781702695 /nfs/dbraw/zinc/70/26/95/781702695.db2.gz PTBHTUWAJQQZNA-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110267054 781702703 /nfs/dbraw/zinc/70/27/03/781702703.db2.gz PTBHTUWAJQQZNA-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110272283 781703950 /nfs/dbraw/zinc/70/39/50/781703950.db2.gz RVGNIIIRGPNEFD-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110272283 781703952 /nfs/dbraw/zinc/70/39/52/781703952.db2.gz RVGNIIIRGPNEFD-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110272178 781703970 /nfs/dbraw/zinc/70/39/70/781703970.db2.gz NTOJDHKIFHQBDZ-DOLQZWNJSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110272178 781703974 /nfs/dbraw/zinc/70/39/74/781703974.db2.gz NTOJDHKIFHQBDZ-DOLQZWNJSA-N 1 1 323.353 -1.819 20 0 DAADMO CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110271989 781704048 /nfs/dbraw/zinc/70/40/48/781704048.db2.gz FKQAEEUBBWSWKN-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110272078 781704368 /nfs/dbraw/zinc/70/43/68/781704368.db2.gz IUYVLCCRDIMLSC-MXWKQRLJSA-N 1 1 324.385 -1.599 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110271920 781704439 /nfs/dbraw/zinc/70/44/39/781704439.db2.gz BGDXDZLHYCIXFQ-DBIOUOCHSA-N 1 1 300.359 -1.617 20 0 DAADMO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151156433 781705385 /nfs/dbraw/zinc/70/53/85/781705385.db2.gz CKMRKUOKSVDOAK-OLZOCXBDSA-N 1 1 303.403 -1.332 20 0 DAADMO COc1ccc2c(c1)C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)O2 ZINC001182357035 781705470 /nfs/dbraw/zinc/70/54/70/781705470.db2.gz QGDHUJHFUNBZJX-RFGFWPKPSA-N 1 1 319.365 -1.482 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001182336901 781705484 /nfs/dbraw/zinc/70/54/84/781705484.db2.gz RNQJXINFRSKCIG-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001182343148 781706347 /nfs/dbraw/zinc/70/63/47/781706347.db2.gz FVFQGUILNCIXQP-VHSXEESVSA-N 1 1 324.389 -1.219 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2NC(=O)c3ccccc32)[C@H]2NCN[C@H]21 ZINC001182430341 781707716 /nfs/dbraw/zinc/70/77/16/781707716.db2.gz CODASNUVQBAUCN-WRWGMCAJSA-N 1 1 302.338 -2.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182530596 781709511 /nfs/dbraw/zinc/70/95/11/781709511.db2.gz MPBTXWATQZVCIQ-SECBINFHSA-N 1 1 317.371 -1.301 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3c(c2)OCC3)[C@H]2NCN[C@H]21 ZINC001182652984 781711235 /nfs/dbraw/zinc/71/12/35/781711235.db2.gz KCEGELZGKDRDML-RRFJBIMHSA-N 1 1 303.366 -1.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2ccc3c(c2)CCO3)[C@@H]2NCN[C@H]21 ZINC001182666873 781711403 /nfs/dbraw/zinc/71/14/03/781711403.db2.gz YPNGPDNUBOQOPR-DGAVXFQQSA-N 1 1 319.365 -1.826 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001182802650 781711795 /nfs/dbraw/zinc/71/17/95/781711795.db2.gz LRMAQLCJILBPJG-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cn3cccnc3n2)[C@@H]2NCN[C@@H]21 ZINC001182761923 781712339 /nfs/dbraw/zinc/71/23/39/781712339.db2.gz ILUHZXHCVJCGPW-UTUOFQBUSA-N 1 1 302.342 -2.209 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cn3cccnc3n2)[C@@H]2NCN[C@H]21 ZINC001182761922 781712734 /nfs/dbraw/zinc/71/27/34/781712734.db2.gz ILUHZXHCVJCGPW-TUAOUCFPSA-N 1 1 302.342 -2.209 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001182803755 781712790 /nfs/dbraw/zinc/71/27/90/781712790.db2.gz WENTYPUZIHIAPG-MWLCHTKSSA-N 1 1 324.385 -1.045 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cnc3ccccn23)[C@H]2NCN[C@@H]21 ZINC001182840241 781713491 /nfs/dbraw/zinc/71/34/91/781713491.db2.gz JMLUNCIMFATDKX-MGPQQGTHSA-N 1 1 301.354 -1.604 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151300219 781715539 /nfs/dbraw/zinc/71/55/39/781715539.db2.gz LBKFUIRLQWWARG-IONNQARKSA-N 1 1 316.387 -1.428 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151302172 781718155 /nfs/dbraw/zinc/71/81/55/781718155.db2.gz ZFTFZFKBQKVSSV-ZETCQYMHSA-N 1 1 303.348 -2.892 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001183007343 781718389 /nfs/dbraw/zinc/71/83/89/781718389.db2.gz GTDLCMQCKMKEFR-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001183024232 781719192 /nfs/dbraw/zinc/71/91/92/781719192.db2.gz JQJKBOVVPLHRFZ-SECBINFHSA-N 1 1 317.371 -1.301 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183060325 781721931 /nfs/dbraw/zinc/72/19/31/781721931.db2.gz YPDLIQQZZKKNGC-SNVBAGLBSA-N 1 1 324.389 -1.297 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151307034 781722026 /nfs/dbraw/zinc/72/20/26/781722026.db2.gz XOXFAPAXDSDNLO-NSHDSACASA-N 1 1 315.399 -1.200 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001183059713 781723116 /nfs/dbraw/zinc/72/31/16/781723116.db2.gz GXPOQXXTCGVJEF-DTWKUNHWSA-N 1 1 310.362 -1.609 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(O)cc3)CC2)[C@@H]2NCN[C@@H]21 ZINC001183344195 781724615 /nfs/dbraw/zinc/72/46/15/781724615.db2.gz WGUXGHRHVFKLEA-UPJWGTAASA-N 1 1 303.366 -1.057 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001110333829 781726102 /nfs/dbraw/zinc/72/61/02/781726102.db2.gz SFYARTOEAMRQRK-CHWFTXMASA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001110333829 781726108 /nfs/dbraw/zinc/72/61/08/781726108.db2.gz SFYARTOEAMRQRK-CHWFTXMASA-N 1 1 310.354 -1.048 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001183764330 781734997 /nfs/dbraw/zinc/73/49/97/781734997.db2.gz YNQMXKCWBVNLGZ-CMPLNLGQSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(C)(C)C(=O)NCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001183945594 781737959 /nfs/dbraw/zinc/73/79/59/781737959.db2.gz XPNVIWWDOJZTBV-SRVKXCTJSA-N 1 1 312.418 -1.552 20 0 DAADMO COC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)C(C)C ZINC001183950293 781739134 /nfs/dbraw/zinc/73/91/34/781739134.db2.gz MSUFEYGRAGGQAN-QCLAVDOMSA-N 1 1 300.363 -2.114 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151372824 781739774 /nfs/dbraw/zinc/73/97/74/781739774.db2.gz GUKKRUQZVPITKP-UHFFFAOYSA-N 1 1 303.388 -1.342 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)NC1=O ZINC001184074721 781740694 /nfs/dbraw/zinc/74/06/94/781740694.db2.gz PZPMKYSULLTTTI-YFKTTZPYSA-N 1 1 308.382 -1.210 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)s1 ZINC001151379716 781741226 /nfs/dbraw/zinc/74/12/26/781741226.db2.gz PSNOHQZXEJSQGB-UHFFFAOYSA-N 1 1 321.428 -1.145 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001184049579 781741611 /nfs/dbraw/zinc/74/16/11/781741611.db2.gz LKEAPPXZJSFSTP-SNVBAGLBSA-N 1 1 324.389 -1.261 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001184241820 781746979 /nfs/dbraw/zinc/74/69/79/781746979.db2.gz OMHPATNPTKZTIH-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO COC[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CCOC1 ZINC001184619283 781751215 /nfs/dbraw/zinc/75/12/15/781751215.db2.gz QXWOODJMKHAAQP-RISCZKNCSA-N 1 1 324.385 -1.046 20 0 DAADMO C[C@@H]1C[C@@H]1c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001185162800 781756339 /nfs/dbraw/zinc/75/63/39/781756339.db2.gz BHAMYJRQYDSZMH-JOROOKJOSA-N 1 1 303.370 -1.267 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185267228 781757429 /nfs/dbraw/zinc/75/74/29/781757429.db2.gz PFFGJYJCEXPFHP-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)NC(CO)(CO)CO ZINC001185235489 781758366 /nfs/dbraw/zinc/75/83/66/781758366.db2.gz OSKIAPGKCYGPKF-ZDUSSCGKSA-N 1 1 312.366 -1.689 20 0 DAADMO C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)NC(CO)(CO)CO ZINC001185235489 781758374 /nfs/dbraw/zinc/75/83/74/781758374.db2.gz OSKIAPGKCYGPKF-ZDUSSCGKSA-N 1 1 312.366 -1.689 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185267227 781758453 /nfs/dbraw/zinc/75/84/53/781758453.db2.gz PFFGJYJCEXPFHP-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC001185270092 781759833 /nfs/dbraw/zinc/75/98/33/781759833.db2.gz SVYVTQUCDIPILA-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001185391476 781760775 /nfs/dbraw/zinc/76/07/75/781760775.db2.gz BOUZFCSERBKDQL-MRVPVSSYSA-N 1 1 324.341 -1.615 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1)C(=O)NC(N)=O ZINC001185416104 781761367 /nfs/dbraw/zinc/76/13/67/781761367.db2.gz NNTPODZZJKNBEA-HTQZYQBOSA-N 1 1 324.341 -1.487 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001185806369 781765090 /nfs/dbraw/zinc/76/50/90/781765090.db2.gz KOUVULOWYKBHNZ-GHMZBOCLSA-N 1 1 309.374 -1.185 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001185749366 781766152 /nfs/dbraw/zinc/76/61/52/781766152.db2.gz HELTZFNBFGNDKB-LLVKDONJSA-N 1 1 315.399 -1.028 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001185749366 781766157 /nfs/dbraw/zinc/76/61/57/781766157.db2.gz HELTZFNBFGNDKB-LLVKDONJSA-N 1 1 315.399 -1.028 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185856856 781766632 /nfs/dbraw/zinc/76/66/32/781766632.db2.gz VEEIGZSXKZWRRA-CYBMUJFWSA-N 1 1 324.385 -1.340 20 0 DAADMO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001185865123 781767315 /nfs/dbraw/zinc/76/73/15/781767315.db2.gz BIELPHRMTWVERP-AXFHLTTASA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001185912229 781768649 /nfs/dbraw/zinc/76/86/49/781768649.db2.gz AVHHLFUDWFTVRU-RKDXNWHRSA-N 1 1 317.371 -1.302 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185963602 781770944 /nfs/dbraw/zinc/77/09/44/781770944.db2.gz QWDZTGUTLQXKDQ-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO CN(C)c1cccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001186076953 781771704 /nfs/dbraw/zinc/77/17/04/781771704.db2.gz RFSKDJILKPHKNJ-ILXRZTDVSA-N 1 1 304.398 -1.186 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](O)C2)CCN1C(C)=O ZINC001186044444 781771970 /nfs/dbraw/zinc/77/19/70/781771970.db2.gz HBCVJPWOFYCNOI-RYUDHWBXSA-N 1 1 313.354 -1.715 20 0 DAADMO NC(=O)COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001186070934 781772209 /nfs/dbraw/zinc/77/22/09/781772209.db2.gz UMLNTAYZVJINMN-AVGNSLFASA-N 1 1 320.353 -2.317 20 0 DAADMO NC(=O)COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001186070936 781772347 /nfs/dbraw/zinc/77/23/47/781772347.db2.gz UMLNTAYZVJINMN-RWMBFGLXSA-N 1 1 320.353 -2.317 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186115650 781772380 /nfs/dbraw/zinc/77/23/80/781772380.db2.gz HWUFOSXFAWTAMQ-VIFPVBQESA-N 1 1 307.372 -1.853 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186115650 781772386 /nfs/dbraw/zinc/77/23/86/781772386.db2.gz HWUFOSXFAWTAMQ-VIFPVBQESA-N 1 1 307.372 -1.853 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CO)[C@H](O)C2)C1 ZINC001186101666 781772526 /nfs/dbraw/zinc/77/25/26/781772526.db2.gz YEGUGPYFNXPMAX-QJPTWQEYSA-N 1 1 300.355 -1.317 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCOCC2)nn1 ZINC001186054486 781772917 /nfs/dbraw/zinc/77/29/17/781772917.db2.gz FDBHJOWPGOHGMA-CYBMUJFWSA-N 1 1 321.381 -1.004 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCOCC2)nn1 ZINC001186054486 781772923 /nfs/dbraw/zinc/77/29/23/781772923.db2.gz FDBHJOWPGOHGMA-CYBMUJFWSA-N 1 1 321.381 -1.004 20 0 DAADMO CN(C)c1cccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001186076958 781773373 /nfs/dbraw/zinc/77/33/73/781773373.db2.gz RFSKDJILKPHKNJ-KKUMJFAQSA-N 1 1 304.398 -1.186 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)C(N)=O ZINC001186119533 781774570 /nfs/dbraw/zinc/77/45/70/781774570.db2.gz RXCCHURVAYMGAK-KOLCDFICSA-N 1 1 324.341 -1.860 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CN(S(C)(=O)=O)C2)C1 ZINC001186115747 781775332 /nfs/dbraw/zinc/77/53/32/781775332.db2.gz LPDSADPXKOLEMN-VIFPVBQESA-N 1 1 319.383 -1.759 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CN(S(C)(=O)=O)C2)C1 ZINC001186115747 781775336 /nfs/dbraw/zinc/77/53/36/781775336.db2.gz LPDSADPXKOLEMN-VIFPVBQESA-N 1 1 319.383 -1.759 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)NCCS(=O)(=O)N(C)C)C1 ZINC001186116225 781775442 /nfs/dbraw/zinc/77/54/42/781775442.db2.gz VMRXHODYLWYNMO-JTQLQIEISA-N 1 1 321.399 -1.511 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCS(=O)(=O)N(C)C)C1 ZINC001186116225 781775448 /nfs/dbraw/zinc/77/54/48/781775448.db2.gz VMRXHODYLWYNMO-JTQLQIEISA-N 1 1 321.399 -1.511 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001186117511 781775602 /nfs/dbraw/zinc/77/56/02/781775602.db2.gz YYQQGGMDCFBYFQ-VIFPVBQESA-N 1 1 315.326 -2.113 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186117511 781775609 /nfs/dbraw/zinc/77/56/09/781775609.db2.gz YYQQGGMDCFBYFQ-VIFPVBQESA-N 1 1 315.326 -2.113 20 0 DAADMO CC(=O)Nc1cc(F)ccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001186446517 781778371 /nfs/dbraw/zinc/77/83/71/781778371.db2.gz FYRGLOCVCFUMNL-FRRDWIJNSA-N 1 1 322.344 -1.083 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001186608907 781782377 /nfs/dbraw/zinc/78/23/77/781782377.db2.gz XLZPGIFMJNIVOZ-FZMZJTMJSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCn1cc[nH+]c1C ZINC001186604842 781786482 /nfs/dbraw/zinc/78/64/82/781786482.db2.gz XMCHJCOITKUHJV-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001186706179 781787233 /nfs/dbraw/zinc/78/72/33/781787233.db2.gz WKVLJSDJNIKIAG-QWHCGFSZSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001151586874 781789071 /nfs/dbraw/zinc/78/90/71/781789071.db2.gz OUNOZKPIAINFRE-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186777983 781789398 /nfs/dbraw/zinc/78/93/98/781789398.db2.gz BBVPNUMIZWIPBW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186777983 781789401 /nfs/dbraw/zinc/78/94/01/781789401.db2.gz BBVPNUMIZWIPBW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001151586304 781789934 /nfs/dbraw/zinc/78/99/34/781789934.db2.gz IRMYVSVTCWRQGC-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001151586846 781790132 /nfs/dbraw/zinc/79/01/32/781790132.db2.gz OFXHUPIZGKLAQX-LBPRGKRZSA-N 1 1 310.358 -1.732 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186805127 781790268 /nfs/dbraw/zinc/79/02/68/781790268.db2.gz YTPHMSMSBLXYNX-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001186941417 781791368 /nfs/dbraw/zinc/79/13/68/781791368.db2.gz HXLZZPOLCVQGAI-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001186811903 781791543 /nfs/dbraw/zinc/79/15/43/781791543.db2.gz KUIGXMSECRKFHK-JGVFFNPUSA-N 1 1 312.330 -2.618 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001186811903 781791546 /nfs/dbraw/zinc/79/15/46/781791546.db2.gz KUIGXMSECRKFHK-JGVFFNPUSA-N 1 1 312.330 -2.618 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186818581 781791655 /nfs/dbraw/zinc/79/16/55/781791655.db2.gz CHUYNJISDZTNCZ-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186818581 781791662 /nfs/dbraw/zinc/79/16/62/781791662.db2.gz CHUYNJISDZTNCZ-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186812369 781792171 /nfs/dbraw/zinc/79/21/71/781792171.db2.gz OBFVHJZIPIBDEK-HBNTYKKESA-N 1 1 309.370 -1.582 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001186907245 781792478 /nfs/dbraw/zinc/79/24/78/781792478.db2.gz DKEBWHZONLHCLP-BFHYXJOUSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001186968404 781793530 /nfs/dbraw/zinc/79/35/30/781793530.db2.gz MRKFMAABBKKBEP-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(-n3cnnn3)c2)[C@@H]2NCN[C@@H]21 ZINC001186984630 781793892 /nfs/dbraw/zinc/79/38/92/781793892.db2.gz ZLJVZFICXHCRJA-UTUOFQBUSA-N 1 1 315.341 -2.205 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001187254447 781797182 /nfs/dbraw/zinc/79/71/82/781797182.db2.gz OCUCZSCLAUWIBX-IVZWLZJFSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001187254447 781797189 /nfs/dbraw/zinc/79/71/89/781797189.db2.gz OCUCZSCLAUWIBX-IVZWLZJFSA-N 1 1 323.353 -2.007 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001187666865 781801353 /nfs/dbraw/zinc/80/13/53/781801353.db2.gz JCYHQGYFAUYMRA-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1cc(N(C(N)=[NH2+])C(=O)CNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001187527803 781801597 /nfs/dbraw/zinc/80/15/97/781801597.db2.gz OSPKJMXQGRTBAU-ZETCQYMHSA-N 1 1 307.314 -1.661 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001187666866 781801994 /nfs/dbraw/zinc/80/19/94/781801994.db2.gz JCYHQGYFAUYMRA-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001187553953 781802246 /nfs/dbraw/zinc/80/22/46/781802246.db2.gz ZECAQGPKTJADMQ-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001187553953 781802255 /nfs/dbraw/zinc/80/22/55/781802255.db2.gz ZECAQGPKTJADMQ-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187690908 781803553 /nfs/dbraw/zinc/80/35/53/781803553.db2.gz PGHJRZHORDMADT-NNYUYHANSA-N 1 1 314.386 -1.417 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187683497 781803815 /nfs/dbraw/zinc/80/38/15/781803815.db2.gz RPHLMOMIWJKZED-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187683497 781803820 /nfs/dbraw/zinc/80/38/20/781803820.db2.gz RPHLMOMIWJKZED-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001273546080 781806375 /nfs/dbraw/zinc/80/63/75/781806375.db2.gz GUWMMBCTSVARPH-NSHDSACASA-N 1 1 309.374 -1.223 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001187772455 781806448 /nfs/dbraw/zinc/80/64/48/781806448.db2.gz WRISURNMEXVJRC-SDDRHHMPSA-N 1 1 309.370 -1.031 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001187771562 781806635 /nfs/dbraw/zinc/80/66/35/781806635.db2.gz GJUKYGOEICHIDP-NWDGAFQWSA-N 1 1 309.370 -1.030 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001187795087 781806734 /nfs/dbraw/zinc/80/67/34/781806734.db2.gz QBXKNCDHTATHCS-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001187795087 781806746 /nfs/dbraw/zinc/80/67/46/781806746.db2.gz QBXKNCDHTATHCS-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187743994 781807200 /nfs/dbraw/zinc/80/72/00/781807200.db2.gz RHFAFZDUFSMYPV-QJPTWQEYSA-N 1 1 313.354 -1.364 20 0 DAADMO CCN(CC[NH2+]Cc1nnc(C)[nH]1)C(=O)CN1CCNC(=O)C1 ZINC001273547349 781807673 /nfs/dbraw/zinc/80/76/73/781807673.db2.gz ZJLRWCDMUDHIEM-UHFFFAOYSA-N 1 1 323.401 -1.517 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC001187850647 781808880 /nfs/dbraw/zinc/80/88/80/781808880.db2.gz FBFWLUOHGQXCFK-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001187902158 781809245 /nfs/dbraw/zinc/80/92/45/781809245.db2.gz NSPHOQWGPBZSQM-SECBINFHSA-N 1 1 316.387 -1.945 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051843 781811655 /nfs/dbraw/zinc/81/16/55/781811655.db2.gz VZZQDQFQGNJBAM-VHSXEESVSA-N 1 1 321.341 -1.994 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051843 781811670 /nfs/dbraw/zinc/81/16/70/781811670.db2.gz VZZQDQFQGNJBAM-VHSXEESVSA-N 1 1 321.341 -1.994 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930635 781811810 /nfs/dbraw/zinc/81/18/10/781811810.db2.gz WBEPMNCERYXIQB-SDDRHHMPSA-N 1 1 310.358 -1.787 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051236 781812667 /nfs/dbraw/zinc/81/26/67/781812667.db2.gz KWVXBPMBJUIBQZ-RWMBFGLXSA-N 1 1 309.370 -1.182 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001188132488 781813620 /nfs/dbraw/zinc/81/36/20/781813620.db2.gz HEQDQFUCSXTSHH-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001188124668 781814067 /nfs/dbraw/zinc/81/40/67/781814067.db2.gz JNOWRHJEOGZKMU-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188125083 781814186 /nfs/dbraw/zinc/81/41/86/781814186.db2.gz LHUPTJKJXLVIJM-WDEREUQCSA-N 1 1 312.370 -1.891 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188125083 781814193 /nfs/dbraw/zinc/81/41/93/781814193.db2.gz LHUPTJKJXLVIJM-WDEREUQCSA-N 1 1 312.370 -1.891 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001188150899 781815378 /nfs/dbraw/zinc/81/53/78/781815378.db2.gz BGQDJKWBYQHCGD-NWDGAFQWSA-N 1 1 314.386 -1.543 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001188152177 781816547 /nfs/dbraw/zinc/81/65/47/781816547.db2.gz SDHGZOVTOHLGCM-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001188152247 781816679 /nfs/dbraw/zinc/81/66/79/781816679.db2.gz TWWDUDANPKVXCV-SDDRHHMPSA-N 1 1 314.386 -1.545 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188314220 781818191 /nfs/dbraw/zinc/81/81/91/781818191.db2.gz HXCNDWHRTPQDJO-WCQYABFASA-N 1 1 321.381 -1.045 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188314220 781818200 /nfs/dbraw/zinc/81/82/00/781818200.db2.gz HXCNDWHRTPQDJO-WCQYABFASA-N 1 1 321.381 -1.045 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(C(F)(F)F)c[nH]2)[C@@H]2NCN[C@@H]21 ZINC001188296624 781818687 /nfs/dbraw/zinc/81/86/87/781818687.db2.gz RWRFGQSVRWIEJT-JKMUOGBPSA-N 1 1 305.264 -1.439 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684775 781822473 /nfs/dbraw/zinc/82/24/73/781822473.db2.gz LCAUZFYJWIYVOK-JTQLQIEISA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684775 781822485 /nfs/dbraw/zinc/82/24/85/781822485.db2.gz LCAUZFYJWIYVOK-JTQLQIEISA-N 1 1 313.358 -1.889 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001188685401 781822601 /nfs/dbraw/zinc/82/26/01/781822601.db2.gz NNDKPLCZGNTBAW-QWRGUYRKSA-N 1 1 310.354 -1.540 20 0 DAADMO CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759719 781823476 /nfs/dbraw/zinc/82/34/76/781823476.db2.gz GCYXWTXQUREIQQ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001188724629 781823844 /nfs/dbraw/zinc/82/38/44/781823844.db2.gz YHSSXXVJNDXUQS-NWDGAFQWSA-N 1 1 316.427 -1.017 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001188693463 781825366 /nfs/dbraw/zinc/82/53/66/781825366.db2.gz NZGJGDRBWMWTRS-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188716098 781826215 /nfs/dbraw/zinc/82/62/15/781826215.db2.gz DITAJZZDPMDZSN-SECBINFHSA-N 1 1 312.326 -1.398 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188716098 781826227 /nfs/dbraw/zinc/82/62/27/781826227.db2.gz DITAJZZDPMDZSN-SECBINFHSA-N 1 1 312.326 -1.398 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001188784344 781826848 /nfs/dbraw/zinc/82/68/48/781826848.db2.gz JUAVARIETZAKPN-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001188784344 781826856 /nfs/dbraw/zinc/82/68/56/781826856.db2.gz JUAVARIETZAKPN-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784005 781827387 /nfs/dbraw/zinc/82/73/87/781827387.db2.gz GCFWMSNWDZYJRB-VIFPVBQESA-N 1 1 324.345 -2.339 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784005 781827397 /nfs/dbraw/zinc/82/73/97/781827397.db2.gz GCFWMSNWDZYJRB-VIFPVBQESA-N 1 1 324.345 -2.339 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001188802985 781828018 /nfs/dbraw/zinc/82/80/18/781828018.db2.gz FFRMMNDMQIISAG-SNVBAGLBSA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001188802985 781828026 /nfs/dbraw/zinc/82/80/26/781828026.db2.gz FFRMMNDMQIISAG-SNVBAGLBSA-N 1 1 308.342 -1.239 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812019 781828167 /nfs/dbraw/zinc/82/81/67/781828167.db2.gz HPTYNHFRXJEUEW-NWDGAFQWSA-N 1 1 324.385 -1.555 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784768 781828518 /nfs/dbraw/zinc/82/85/18/781828518.db2.gz QELGPUWGRFETTK-MRVPVSSYSA-N 1 1 310.318 -2.599 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784768 781828526 /nfs/dbraw/zinc/82/85/26/781828526.db2.gz QELGPUWGRFETTK-MRVPVSSYSA-N 1 1 310.318 -2.599 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784792 781828764 /nfs/dbraw/zinc/82/87/64/781828764.db2.gz QMSIFFKSCQJBIZ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784792 781828777 /nfs/dbraw/zinc/82/87/77/781828777.db2.gz QMSIFFKSCQJBIZ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CNC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001188827374 781829307 /nfs/dbraw/zinc/82/93/07/781829307.db2.gz AVPHRLASRAMXPI-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188871363 781829581 /nfs/dbraw/zinc/82/95/81/781829581.db2.gz ZMTBPJJLSLJWAK-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188871363 781829591 /nfs/dbraw/zinc/82/95/91/781829591.db2.gz ZMTBPJJLSLJWAK-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188813886 781830315 /nfs/dbraw/zinc/83/03/15/781830315.db2.gz QYHZIGYMKRSUGP-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001188813925 781831179 /nfs/dbraw/zinc/83/11/79/781831179.db2.gz SHZQVQLRFURGNC-WDEREUQCSA-N 1 1 310.358 -1.635 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814995 781831342 /nfs/dbraw/zinc/83/13/42/781831342.db2.gz YLVJCDOREWEGNV-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188813725 781831434 /nfs/dbraw/zinc/83/14/34/781831434.db2.gz QVHVGPXUEMMWHM-GARJFASQSA-N 1 1 310.358 -1.636 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188956019 781832209 /nfs/dbraw/zinc/83/22/09/781832209.db2.gz BWLXFFNVJNKIAA-WCQYABFASA-N 1 1 322.365 -1.075 20 0 DAADMO Cn1nc(C(C)(C)C)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001189044010 781833140 /nfs/dbraw/zinc/83/31/40/781833140.db2.gz TZAQAVRFXUEDEC-SDDRHHMPSA-N 1 1 307.402 -1.150 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189012564 781834632 /nfs/dbraw/zinc/83/46/32/781834632.db2.gz OUFCSFMFAQPJFD-SDDRHHMPSA-N 1 1 319.427 -1.031 20 0 DAADMO Cc1cnn(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189124455 781835399 /nfs/dbraw/zinc/83/53/99/781835399.db2.gz ZHVBGMSESRNBGJ-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1cnn(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189124455 781835408 /nfs/dbraw/zinc/83/54/08/781835408.db2.gz ZHVBGMSESRNBGJ-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189132855 781836203 /nfs/dbraw/zinc/83/62/03/781836203.db2.gz MPVZMLOOUCDJJR-MRVPVSSYSA-N 1 1 315.330 -1.930 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189132855 781836214 /nfs/dbraw/zinc/83/62/14/781836214.db2.gz MPVZMLOOUCDJJR-MRVPVSSYSA-N 1 1 315.330 -1.930 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001189136402 781836493 /nfs/dbraw/zinc/83/64/93/781836493.db2.gz XCPPWCIPJFOPPT-QCLAVDOMSA-N 1 1 323.353 -2.165 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001189136402 781836497 /nfs/dbraw/zinc/83/64/97/781836497.db2.gz XCPPWCIPJFOPPT-QCLAVDOMSA-N 1 1 323.353 -2.165 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189214462 781837542 /nfs/dbraw/zinc/83/75/42/781837542.db2.gz HZKYFLDUBLBYQN-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189214462 781837547 /nfs/dbraw/zinc/83/75/47/781837547.db2.gz HZKYFLDUBLBYQN-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189277104 781837582 /nfs/dbraw/zinc/83/75/82/781837582.db2.gz QHXJVXFCBRGQMJ-WDEREUQCSA-N 1 1 320.415 -2.093 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357437 781837689 /nfs/dbraw/zinc/83/76/89/781837689.db2.gz ZMUPLPKHFIOEOD-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357437 781837696 /nfs/dbraw/zinc/83/76/96/781837696.db2.gz ZMUPLPKHFIOEOD-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)nc(F)c2F)[C@H]2NCN[C@@H]21 ZINC001189183033 781838206 /nfs/dbraw/zinc/83/82/06/781838206.db2.gz NEJLMDQMMHQKJX-SZEHBUNVSA-N 1 1 302.260 -1.368 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390509 781838945 /nfs/dbraw/zinc/83/89/45/781838945.db2.gz RJURFCYPYSPSLC-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc(=O)n(C)c1=O ZINC001189441817 781841443 /nfs/dbraw/zinc/84/14/43/781841443.db2.gz FURLICJTAGMMOI-KXUCPTDWSA-N 1 1 309.330 -3.783 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478462 781841640 /nfs/dbraw/zinc/84/16/40/781841640.db2.gz AKESJMMVVYNDGL-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO COCCOCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189471875 781842436 /nfs/dbraw/zinc/84/24/36/781842436.db2.gz NIUSQEURAKYEER-SNVBAGLBSA-N 1 1 316.358 -1.623 20 0 DAADMO COCCOCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189471875 781842445 /nfs/dbraw/zinc/84/24/45/781842445.db2.gz NIUSQEURAKYEER-SNVBAGLBSA-N 1 1 316.358 -1.623 20 0 DAADMO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489242 781842977 /nfs/dbraw/zinc/84/29/77/781842977.db2.gz HMOOOMKHXATKGE-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489242 781842987 /nfs/dbraw/zinc/84/29/87/781842987.db2.gz HMOOOMKHXATKGE-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001189500354 781843922 /nfs/dbraw/zinc/84/39/22/781843922.db2.gz SHYLNZZTEOFILR-LLVKDONJSA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189500354 781843928 /nfs/dbraw/zinc/84/39/28/781843928.db2.gz SHYLNZZTEOFILR-LLVKDONJSA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189500354 781843938 /nfs/dbraw/zinc/84/39/38/781843938.db2.gz SHYLNZZTEOFILR-LLVKDONJSA-N 1 1 322.369 -1.060 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189490231 781845264 /nfs/dbraw/zinc/84/52/64/781845264.db2.gz SJZLNTAWKJGLLM-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189490231 781845268 /nfs/dbraw/zinc/84/52/68/781845268.db2.gz SJZLNTAWKJGLLM-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696489 781846955 /nfs/dbraw/zinc/84/69/55/781846955.db2.gz YXELZSMOHDCSRK-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696489 781846958 /nfs/dbraw/zinc/84/69/58/781846958.db2.gz YXELZSMOHDCSRK-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001189531001 781847238 /nfs/dbraw/zinc/84/72/38/781847238.db2.gz VVPAFODQNNOHOB-VHSXEESVSA-N 1 1 320.353 -1.320 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001189531001 781847248 /nfs/dbraw/zinc/84/72/48/781847248.db2.gz VVPAFODQNNOHOB-VHSXEESVSA-N 1 1 320.353 -1.320 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695319 781847663 /nfs/dbraw/zinc/84/76/63/781847663.db2.gz HSOBGXWWVAHLOJ-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO Cn1nc(C(F)(F)F)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001189611082 781847961 /nfs/dbraw/zinc/84/79/61/781847961.db2.gz VOFDUQGSWGXPRM-XHNCKOQMSA-N 1 1 319.291 -1.428 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189612173 781847976 /nfs/dbraw/zinc/84/79/76/781847976.db2.gz IIXZMAVTHSKITE-WDEREUQCSA-N 1 1 322.369 -1.650 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189612173 781847983 /nfs/dbraw/zinc/84/79/83/781847983.db2.gz IIXZMAVTHSKITE-WDEREUQCSA-N 1 1 322.369 -1.650 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189735965 781848933 /nfs/dbraw/zinc/84/89/33/781848933.db2.gz RLHPWVXTHMLZIT-MNOVXSKESA-N 1 1 324.385 -1.007 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769109 781849311 /nfs/dbraw/zinc/84/93/11/781849311.db2.gz FZWZWUJMOIGFNQ-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769109 781849323 /nfs/dbraw/zinc/84/93/23/781849323.db2.gz FZWZWUJMOIGFNQ-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189707613 781849500 /nfs/dbraw/zinc/84/95/00/781849500.db2.gz YKGANLXQZAJXMP-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189707613 781849510 /nfs/dbraw/zinc/84/95/10/781849510.db2.gz YKGANLXQZAJXMP-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110415103 781850370 /nfs/dbraw/zinc/85/03/70/781850370.db2.gz WUFQAXOBNIPJDQ-IMSYWVGJSA-N 1 1 308.338 -1.612 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110415103 781850373 /nfs/dbraw/zinc/85/03/73/781850373.db2.gz WUFQAXOBNIPJDQ-IMSYWVGJSA-N 1 1 308.338 -1.612 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001189743047 781850563 /nfs/dbraw/zinc/85/05/63/781850563.db2.gz ZYLAUQAZZQRACQ-QJPTWQEYSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001189743047 781850570 /nfs/dbraw/zinc/85/05/70/781850570.db2.gz ZYLAUQAZZQRACQ-QJPTWQEYSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001189743047 781850580 /nfs/dbraw/zinc/85/05/80/781850580.db2.gz ZYLAUQAZZQRACQ-QJPTWQEYSA-N 1 1 309.370 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418063 781850931 /nfs/dbraw/zinc/85/09/31/781850931.db2.gz DPCARKJGPITVNU-BBBLOLIVSA-N 1 1 318.399 -1.868 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418063 781850939 /nfs/dbraw/zinc/85/09/39/781850939.db2.gz DPCARKJGPITVNU-BBBLOLIVSA-N 1 1 318.399 -1.868 20 0 DAADMO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814437 781851459 /nfs/dbraw/zinc/85/14/59/781851459.db2.gz YEKITVXDZLNAGK-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814437 781851470 /nfs/dbraw/zinc/85/14/70/781851470.db2.gz YEKITVXDZLNAGK-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189837888 781853430 /nfs/dbraw/zinc/85/34/30/781853430.db2.gz XARTWKYYOFQKSP-UWVGGRQHSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001189846651 781854684 /nfs/dbraw/zinc/85/46/84/781854684.db2.gz GHEULNGHCJDSSE-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001189857490 781854852 /nfs/dbraw/zinc/85/48/52/781854852.db2.gz NBVFOTWHLBRCMK-HBNTYKKESA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189858059 781854936 /nfs/dbraw/zinc/85/49/36/781854936.db2.gz PTVFMWFGGBZAAT-JGVFFNPUSA-N 1 1 314.346 -2.229 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189858059 781854946 /nfs/dbraw/zinc/85/49/46/781854946.db2.gz PTVFMWFGGBZAAT-JGVFFNPUSA-N 1 1 314.346 -2.229 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001189846656 781855121 /nfs/dbraw/zinc/85/51/21/781855121.db2.gz GHEULNGHCJDSSE-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001189859523 781855248 /nfs/dbraw/zinc/85/52/48/781855248.db2.gz ZUOFXWTWLADKMK-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189837890 781855743 /nfs/dbraw/zinc/85/57/43/781855743.db2.gz XARTWKYYOFQKSP-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189934745 781856904 /nfs/dbraw/zinc/85/69/04/781856904.db2.gz QJHBIORTIXWBFY-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189934745 781856914 /nfs/dbraw/zinc/85/69/14/781856914.db2.gz QJHBIORTIXWBFY-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189984352 781859011 /nfs/dbraw/zinc/85/90/11/781859011.db2.gz SPWXHKMMSTWMFT-BDAKNGLRSA-N 1 1 323.357 -1.455 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001190099736 781859618 /nfs/dbraw/zinc/85/96/18/781859618.db2.gz BEUNCNHYIBGFHN-SDDRHHMPSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001190067756 781859885 /nfs/dbraw/zinc/85/98/85/781859885.db2.gz SWXXAACTZIYVNZ-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001190067756 781859895 /nfs/dbraw/zinc/85/98/95/781859895.db2.gz SWXXAACTZIYVNZ-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO C[NH+]1CCN(c2cc(NC(=O)Cn3cnnn3)ncn2)CC1 ZINC000077196682 781860251 /nfs/dbraw/zinc/86/02/51/781860251.db2.gz SXRNZUMHZGUJJK-UHFFFAOYSA-N 1 1 303.330 -1.146 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189984761 781860417 /nfs/dbraw/zinc/86/04/17/781860417.db2.gz WKGWJKFBTFTZME-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189984761 781860422 /nfs/dbraw/zinc/86/04/22/781860422.db2.gz WKGWJKFBTFTZME-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190136896 781861214 /nfs/dbraw/zinc/86/12/14/781861214.db2.gz LJPYYTLROXHHML-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)NC(N)=O ZINC001190153363 781861231 /nfs/dbraw/zinc/86/12/31/781861231.db2.gz AWXXRQAFAGBFDW-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001190116310 781862131 /nfs/dbraw/zinc/86/21/31/781862131.db2.gz NSTAMGSWZPGTIT-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101358 781862185 /nfs/dbraw/zinc/86/21/85/781862185.db2.gz YRHRIWQBCQDGKE-CMPLNLGQSA-N 1 1 321.385 -1.094 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101358 781862190 /nfs/dbraw/zinc/86/21/90/781862190.db2.gz YRHRIWQBCQDGKE-CMPLNLGQSA-N 1 1 321.385 -1.094 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)NC(N)=O ZINC001190153365 781862934 /nfs/dbraw/zinc/86/29/34/781862934.db2.gz AWXXRQAFAGBFDW-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195749 781864049 /nfs/dbraw/zinc/86/40/49/781864049.db2.gz KSKTYALQGMGQNI-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195749 781864059 /nfs/dbraw/zinc/86/40/59/781864059.db2.gz KSKTYALQGMGQNI-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196190 781864343 /nfs/dbraw/zinc/86/43/43/781864343.db2.gz VOGBVGWWCYNAHZ-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196190 781864353 /nfs/dbraw/zinc/86/43/53/781864353.db2.gz VOGBVGWWCYNAHZ-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196181 781864654 /nfs/dbraw/zinc/86/46/54/781864654.db2.gz VDPRYHFHFKCKQE-LBPRGKRZSA-N 1 1 312.374 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380627 781865797 /nfs/dbraw/zinc/86/57/97/781865797.db2.gz NCHJLGNAGCCZCT-SECBINFHSA-N 1 1 309.330 -1.994 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380627 781865804 /nfs/dbraw/zinc/86/58/04/781865804.db2.gz NCHJLGNAGCCZCT-SECBINFHSA-N 1 1 309.330 -1.994 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@@H]2NCN[C@H]21 ZINC001190385899 781865864 /nfs/dbraw/zinc/86/58/64/781865864.db2.gz CJLOKMJVVHBJGU-RNJXMRFFSA-N 1 1 317.275 -1.372 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2nccn2)[C@@H]2NCN[C@H]21 ZINC001190372464 781866358 /nfs/dbraw/zinc/86/63/58/781866358.db2.gz ISKLXBYGAJOWRA-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1 ZINC001190323062 781866433 /nfs/dbraw/zinc/86/64/33/781866433.db2.gz WLGFBEVQPWXTEA-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190379423 781866505 /nfs/dbraw/zinc/86/65/05/781866505.db2.gz CBDLCQPFFJYJEL-ZJUUUORDSA-N 1 1 323.357 -1.606 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190329767 781866712 /nfs/dbraw/zinc/86/67/12/781866712.db2.gz STIHRZBCUZKBQV-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190329767 781866716 /nfs/dbraw/zinc/86/67/16/781866716.db2.gz STIHRZBCUZKBQV-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190336081 781866729 /nfs/dbraw/zinc/86/67/29/781866729.db2.gz FJJUOGLAYILBRI-LBPRGKRZSA-N 1 1 320.411 -1.427 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190336081 781866735 /nfs/dbraw/zinc/86/67/35/781866735.db2.gz FJJUOGLAYILBRI-LBPRGKRZSA-N 1 1 320.411 -1.427 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381497 781866767 /nfs/dbraw/zinc/86/67/67/781866767.db2.gz SOMNGRRLRRXWRE-JTQLQIEISA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381497 781866772 /nfs/dbraw/zinc/86/67/72/781866772.db2.gz SOMNGRRLRRXWRE-JTQLQIEISA-N 1 1 323.357 -1.734 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190483671 781867247 /nfs/dbraw/zinc/86/72/47/781867247.db2.gz RIKVZKAFHUGDCU-WDEREUQCSA-N 1 1 314.386 -1.502 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190471964 781867380 /nfs/dbraw/zinc/86/73/80/781867380.db2.gz HBOJGTFWYNOFMG-NXEZZACHSA-N 1 1 320.415 -1.716 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001190485282 781867465 /nfs/dbraw/zinc/86/74/65/781867465.db2.gz YCFBSYWYHBZNMG-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001190485282 781867473 /nfs/dbraw/zinc/86/74/73/781867473.db2.gz YCFBSYWYHBZNMG-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190502281 781867605 /nfs/dbraw/zinc/86/76/05/781867605.db2.gz SFZUITYVDDRUEL-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190502281 781867609 /nfs/dbraw/zinc/86/76/09/781867609.db2.gz SFZUITYVDDRUEL-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001190500902 781868068 /nfs/dbraw/zinc/86/80/68/781868068.db2.gz BIDHFRWFWFDHJT-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190471971 781868324 /nfs/dbraw/zinc/86/83/24/781868324.db2.gz HBOJGTFWYNOFMG-ZJUUUORDSA-N 1 1 320.415 -1.716 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190510279 781869074 /nfs/dbraw/zinc/86/90/74/781869074.db2.gz QNMQKLJAFQTZLC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190510279 781869077 /nfs/dbraw/zinc/86/90/77/781869077.db2.gz QNMQKLJAFQTZLC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001190509740 781869093 /nfs/dbraw/zinc/86/90/93/781869093.db2.gz NKYWXHUBDZKYDI-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001190509423 781870179 /nfs/dbraw/zinc/87/01/79/781870179.db2.gz KMLGQPSLEWEUOT-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001190511998 781870248 /nfs/dbraw/zinc/87/02/48/781870248.db2.gz YXRKYFQSSHJUCO-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CSc1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(C)n1 ZINC001190524342 781870357 /nfs/dbraw/zinc/87/03/57/781870357.db2.gz VPWKNECTWLLDQZ-KXUCPTDWSA-N 1 1 309.399 -1.360 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594319 781872479 /nfs/dbraw/zinc/87/24/79/781872479.db2.gz UAGVHIFBGKXNSU-JHJVBQTASA-N 1 1 302.371 -1.418 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCOCC1 ZINC001190659545 781872734 /nfs/dbraw/zinc/87/27/34/781872734.db2.gz WWPQXVBKYWUWGU-CHWSQXEVSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCOCC1 ZINC001190659545 781872743 /nfs/dbraw/zinc/87/27/43/781872743.db2.gz WWPQXVBKYWUWGU-CHWSQXEVSA-N 1 1 302.371 -1.417 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601485 781873045 /nfs/dbraw/zinc/87/30/45/781873045.db2.gz LAWCRSDJUXQXSQ-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001190658719 781873210 /nfs/dbraw/zinc/87/32/10/781873210.db2.gz CAPKRFYSQXXEFH-YNEHKIRRSA-N 1 1 302.371 -1.418 20 0 DAADMO CCN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001273604949 781873398 /nfs/dbraw/zinc/87/33/98/781873398.db2.gz HRHOEVFTQMURIU-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001190646036 781874001 /nfs/dbraw/zinc/87/40/01/781874001.db2.gz WCBVCDGBHZYLDH-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001190646036 781874010 /nfs/dbraw/zinc/87/40/10/781874010.db2.gz WCBVCDGBHZYLDH-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001190645588 781874227 /nfs/dbraw/zinc/87/42/27/781874227.db2.gz QMQPWUNCAQFHQV-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190717820 781877298 /nfs/dbraw/zinc/87/72/98/781877298.db2.gz OGLSQGCEJSZBKW-IJLUTSLNSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190717820 781877309 /nfs/dbraw/zinc/87/73/09/781877309.db2.gz OGLSQGCEJSZBKW-IJLUTSLNSA-N 1 1 314.386 -1.672 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190733041 781878016 /nfs/dbraw/zinc/87/80/16/781878016.db2.gz AVMGVAZHGCFDRD-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001190685555 781879787 /nfs/dbraw/zinc/87/97/87/781879787.db2.gz VJIJEGWGXBAWJY-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001190685555 781879797 /nfs/dbraw/zinc/87/97/97/781879797.db2.gz VJIJEGWGXBAWJY-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001190676496 781879819 /nfs/dbraw/zinc/87/98/19/781879819.db2.gz PZCBVUMEJQPZLG-CHWSQXEVSA-N 1 1 322.365 -1.817 20 0 DAADMO CC(C)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190802916 781880918 /nfs/dbraw/zinc/88/09/18/781880918.db2.gz BIZCIEVKYYJMJU-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190802916 781880928 /nfs/dbraw/zinc/88/09/28/781880928.db2.gz BIZCIEVKYYJMJU-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190810818 781881662 /nfs/dbraw/zinc/88/16/62/781881662.db2.gz SGCZOHMJBLAMTI-QMMMGPOBSA-N 1 1 324.341 -1.235 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190810818 781881667 /nfs/dbraw/zinc/88/16/67/781881667.db2.gz SGCZOHMJBLAMTI-QMMMGPOBSA-N 1 1 324.341 -1.235 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001190787194 781881885 /nfs/dbraw/zinc/88/18/85/781881885.db2.gz YTNZGXZBNHCXFG-JHJVBQTASA-N 1 1 311.338 -1.898 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001190750611 781881945 /nfs/dbraw/zinc/88/19/45/781881945.db2.gz LAKPEFLNLQEWNS-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001190750611 781881959 /nfs/dbraw/zinc/88/19/59/781881959.db2.gz LAKPEFLNLQEWNS-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001190842832 781883166 /nfs/dbraw/zinc/88/31/66/781883166.db2.gz ZJEZEKNUGSCAGQ-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001190842832 781883176 /nfs/dbraw/zinc/88/31/76/781883176.db2.gz ZJEZEKNUGSCAGQ-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001190895135 781884358 /nfs/dbraw/zinc/88/43/58/781884358.db2.gz QXORJVWCWWSMGY-LERXQTSPSA-N 1 1 323.397 -1.352 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001190895592 781884699 /nfs/dbraw/zinc/88/46/99/781884699.db2.gz WKWCKUKMWNAIBT-MVWJERBFSA-N 1 1 310.358 -2.036 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001190895592 781884711 /nfs/dbraw/zinc/88/47/11/781884711.db2.gz WKWCKUKMWNAIBT-MVWJERBFSA-N 1 1 310.358 -2.036 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001190895318 781885411 /nfs/dbraw/zinc/88/54/11/781885411.db2.gz UGZPETUBOYDHLC-ZLKJLUDKSA-N 1 1 323.397 -1.352 20 0 DAADMO CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894362 781885442 /nfs/dbraw/zinc/88/54/42/781885442.db2.gz GVCHHBVSIOQNBN-VXGBXAGGSA-N 1 1 316.402 -1.121 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001190905396 781886369 /nfs/dbraw/zinc/88/63/69/781886369.db2.gz UQWKSAKJJIWULG-GHMZBOCLSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001190905685 781886726 /nfs/dbraw/zinc/88/67/26/781886726.db2.gz ZTKPDORVVBYXNE-NXEZZACHSA-N 1 1 300.319 -3.157 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001190905685 781886734 /nfs/dbraw/zinc/88/67/34/781886734.db2.gz ZTKPDORVVBYXNE-NXEZZACHSA-N 1 1 300.319 -3.157 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190923134 781887321 /nfs/dbraw/zinc/88/73/21/781887321.db2.gz RBKUZUIVHDULQW-VXGBXAGGSA-N 1 1 312.374 -1.351 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001190977116 781888732 /nfs/dbraw/zinc/88/87/32/781888732.db2.gz DGOKLYVEBXPWIG-NXEZZACHSA-N 1 1 313.383 -1.485 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001190977116 781888742 /nfs/dbraw/zinc/88/87/42/781888742.db2.gz DGOKLYVEBXPWIG-NXEZZACHSA-N 1 1 313.383 -1.485 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001190977512 781889494 /nfs/dbraw/zinc/88/94/94/781889494.db2.gz JQGVVSLAXBVYAF-GMTAPVOTSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001190977824 781889945 /nfs/dbraw/zinc/88/99/45/781889945.db2.gz OANTUXGUUGKZIM-QJPTWQEYSA-N 1 1 314.386 -1.367 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001190973343 781890070 /nfs/dbraw/zinc/89/00/70/781890070.db2.gz NJZGCGXKZKYDQQ-NSHDSACASA-N 1 1 308.400 -1.427 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001190973343 781890078 /nfs/dbraw/zinc/89/00/78/781890078.db2.gz NJZGCGXKZKYDQQ-NSHDSACASA-N 1 1 308.400 -1.427 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)n1 ZINC001190978035 781890961 /nfs/dbraw/zinc/89/09/61/781890961.db2.gz QPXNYHJTPMJYMG-VXGBXAGGSA-N 1 1 324.385 -1.670 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001190978747 781891469 /nfs/dbraw/zinc/89/14/69/781891469.db2.gz ZEORYCKISJYCPX-GHMZBOCLSA-N 1 1 300.359 -1.757 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)O)C1 ZINC001190988482 781891568 /nfs/dbraw/zinc/89/15/68/781891568.db2.gz FAQNPILJBZJKLZ-CMPLNLGQSA-N 1 1 314.386 -1.848 20 0 DAADMO CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)C1CC1 ZINC001190978311 781891811 /nfs/dbraw/zinc/89/18/11/781891811.db2.gz VDQDHVVAUXISQR-IJLUTSLNSA-N 1 1 314.386 -1.369 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952411 781893450 /nfs/dbraw/zinc/89/34/50/781893450.db2.gz JLPLIUJCZADTAX-RKDXNWHRSA-N 1 1 313.383 -1.219 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190952411 781893456 /nfs/dbraw/zinc/89/34/56/781893456.db2.gz JLPLIUJCZADTAX-RKDXNWHRSA-N 1 1 313.383 -1.219 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191079461 781894730 /nfs/dbraw/zinc/89/47/30/781894730.db2.gz ADZXREGSBUEVTF-QMMMGPOBSA-N 1 1 306.313 -1.354 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191079461 781894741 /nfs/dbraw/zinc/89/47/41/781894741.db2.gz ADZXREGSBUEVTF-QMMMGPOBSA-N 1 1 306.313 -1.354 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001191011057 781894861 /nfs/dbraw/zinc/89/48/61/781894861.db2.gz DVIRPYIPUBJNJS-RAIGVLPGSA-N 1 1 312.370 -1.489 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041922 781895379 /nfs/dbraw/zinc/89/53/79/781895379.db2.gz XALRTCBGBSMIBC-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001191029682 781895398 /nfs/dbraw/zinc/89/53/98/781895398.db2.gz LOWVBENRNHKJKS-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001191062184 781895415 /nfs/dbraw/zinc/89/54/15/781895415.db2.gz SHQRQXQPLGDQQL-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191062184 781895421 /nfs/dbraw/zinc/89/54/21/781895421.db2.gz SHQRQXQPLGDQQL-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040874 781895552 /nfs/dbraw/zinc/89/55/52/781895552.db2.gz MCCFDTNJBGOZEW-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040874 781895559 /nfs/dbraw/zinc/89/55/59/781895559.db2.gz MCCFDTNJBGOZEW-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)CC1=O ZINC001191030514 781895640 /nfs/dbraw/zinc/89/56/40/781895640.db2.gz ULBFBIYKVKKNSB-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001191029681 781895677 /nfs/dbraw/zinc/89/56/77/781895677.db2.gz LOWVBENRNHKJKS-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001191062186 781895936 /nfs/dbraw/zinc/89/59/36/781895936.db2.gz SHQRQXQPLGDQQL-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191062186 781895946 /nfs/dbraw/zinc/89/59/46/781895946.db2.gz SHQRQXQPLGDQQL-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191126832 781896429 /nfs/dbraw/zinc/89/64/29/781896429.db2.gz BLNIVVCIXPVMIB-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191126832 781896440 /nfs/dbraw/zinc/89/64/40/781896440.db2.gz BLNIVVCIXPVMIB-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122114 781896578 /nfs/dbraw/zinc/89/65/78/781896578.db2.gz XLZUZJNWZHFCPT-JHJVBQTASA-N 1 1 311.386 -1.010 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191120487 781897051 /nfs/dbraw/zinc/89/70/51/781897051.db2.gz VEFSSCDMWNWTKM-DTWKUNHWSA-N 1 1 323.357 -1.205 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191120489 781897105 /nfs/dbraw/zinc/89/71/05/781897105.db2.gz VEFSSCDMWNWTKM-IUCAKERBSA-N 1 1 323.357 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090627 781898417 /nfs/dbraw/zinc/89/84/17/781898417.db2.gz DYPLJNATYNCJDR-SFYZADRCSA-N 1 1 306.313 -1.226 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090627 781898427 /nfs/dbraw/zinc/89/84/27/781898427.db2.gz DYPLJNATYNCJDR-SFYZADRCSA-N 1 1 306.313 -1.226 20 0 DAADMO C[N@H+]([C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@@H]1CCNC1=O ZINC001191092369 781899018 /nfs/dbraw/zinc/89/90/18/781899018.db2.gz WNAWTQSGAVMHOG-RKDXNWHRSA-N 1 1 318.324 -1.211 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@@H]1CCNC1=O ZINC001191092369 781899031 /nfs/dbraw/zinc/89/90/31/781899031.db2.gz WNAWTQSGAVMHOG-RKDXNWHRSA-N 1 1 318.324 -1.211 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092367 781899094 /nfs/dbraw/zinc/89/90/94/781899094.db2.gz WNAWTQSGAVMHOG-DTWKUNHWSA-N 1 1 318.324 -1.211 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092367 781899106 /nfs/dbraw/zinc/89/91/06/781899106.db2.gz WNAWTQSGAVMHOG-DTWKUNHWSA-N 1 1 318.324 -1.211 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001191135894 781901092 /nfs/dbraw/zinc/90/10/92/781901092.db2.gz HSMSKZOBXNPIKD-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001191135894 781901094 /nfs/dbraw/zinc/90/10/94/781901094.db2.gz HSMSKZOBXNPIKD-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191140920 781901410 /nfs/dbraw/zinc/90/14/10/781901410.db2.gz FKFUDQTUOGKZJB-JHJVBQTASA-N 1 1 312.370 -1.558 20 0 DAADMO Cn1cncc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191171003 781901551 /nfs/dbraw/zinc/90/15/51/781901551.db2.gz VMCXSFAIDIOIPF-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cncc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191171003 781901559 /nfs/dbraw/zinc/90/15/59/781901559.db2.gz VMCXSFAIDIOIPF-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191216589 781902394 /nfs/dbraw/zinc/90/23/94/781902394.db2.gz CDNNNCSBFINBNT-YNEHKIRRSA-N 1 1 302.371 -1.274 20 0 DAADMO COCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001191288723 781904098 /nfs/dbraw/zinc/90/40/98/781904098.db2.gz RZOQEUICXCRDMW-RWMBFGLXSA-N 1 1 307.354 -1.198 20 0 DAADMO COCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001191288722 781904727 /nfs/dbraw/zinc/90/47/27/781904727.db2.gz RZOQEUICXCRDMW-FRRDWIJNSA-N 1 1 307.354 -1.198 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270488 781904841 /nfs/dbraw/zinc/90/48/41/781904841.db2.gz JGIKJKNMLCWWEI-HBNTYKKESA-N 1 1 316.427 -1.076 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270488 781904847 /nfs/dbraw/zinc/90/48/47/781904847.db2.gz JGIKJKNMLCWWEI-HBNTYKKESA-N 1 1 316.427 -1.076 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300499 781904990 /nfs/dbraw/zinc/90/49/90/781904990.db2.gz OVDVSUCWRMCQBK-JHJVBQTASA-N 1 1 302.371 -1.418 20 0 DAADMO COCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001191288721 781905295 /nfs/dbraw/zinc/90/52/95/781905295.db2.gz RZOQEUICXCRDMW-AVGNSLFASA-N 1 1 307.354 -1.198 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)no2)[C@H]2NCN[C@@H]21 ZINC001191344774 781906144 /nfs/dbraw/zinc/90/61/44/781906144.db2.gz OVQIFQSXKWYSAZ-BWZBUEFSSA-N 1 1 317.147 -1.430 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)no2)[C@@H]2NCN[C@H]21 ZINC001191344776 781906159 /nfs/dbraw/zinc/90/61/59/781906159.db2.gz OVQIFQSXKWYSAZ-RNJXMRFFSA-N 1 1 317.147 -1.430 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314813 781906234 /nfs/dbraw/zinc/90/62/34/781906234.db2.gz LNIKCTQALNHJJU-QJPTWQEYSA-N 1 1 315.370 -2.319 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314554 781906347 /nfs/dbraw/zinc/90/63/47/781906347.db2.gz HENGVQBMRMCXLU-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191321152 781908280 /nfs/dbraw/zinc/90/82/80/781908280.db2.gz JALZKYXQHQEXNG-VXGBXAGGSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191321152 781908286 /nfs/dbraw/zinc/90/82/86/781908286.db2.gz JALZKYXQHQEXNG-VXGBXAGGSA-N 1 1 322.369 -2.034 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001191393646 781908677 /nfs/dbraw/zinc/90/86/77/781908677.db2.gz YJVZMNPVDLSMQN-HBNTYKKESA-N 1 1 301.343 -1.460 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001191391719 781908821 /nfs/dbraw/zinc/90/88/21/781908821.db2.gz CMTYKEBOPXFDEM-IJLUTSLNSA-N 1 1 315.370 -1.070 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001191321583 781909128 /nfs/dbraw/zinc/90/91/28/781909128.db2.gz SZLBIEWFSLIVOM-CYZMBNFOSA-N 1 1 311.382 -1.290 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191432638 781909881 /nfs/dbraw/zinc/90/98/81/781909881.db2.gz NHYPOCKYBXGNKV-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191432638 781909885 /nfs/dbraw/zinc/90/98/85/781909885.db2.gz NHYPOCKYBXGNKV-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001191377100 781910839 /nfs/dbraw/zinc/91/08/39/781910839.db2.gz MVCQEWQITQOKOR-RAIGVLPGSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441778 781911553 /nfs/dbraw/zinc/91/15/53/781911553.db2.gz PMWFCFWPYHCXQN-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191546318 781912790 /nfs/dbraw/zinc/91/27/90/781912790.db2.gz JPXADEINFSUTMH-IACUBPJLSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191546318 781912798 /nfs/dbraw/zinc/91/27/98/781912798.db2.gz JPXADEINFSUTMH-IACUBPJLSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)COC)C1 ZINC001191553114 781914456 /nfs/dbraw/zinc/91/44/56/781914456.db2.gz ZBLSNOBHKDTEGK-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191551559 781915008 /nfs/dbraw/zinc/91/50/08/781915008.db2.gz NZBLSKITHQLKGN-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCOC)C1 ZINC001191552022 781915401 /nfs/dbraw/zinc/91/54/01/781915401.db2.gz SOWPKFQGLVMHHB-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)S(N)(=O)=O ZINC001191552937 781915569 /nfs/dbraw/zinc/91/55/69/781915569.db2.gz XXWIRNRWQZIFTK-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001191560849 781916208 /nfs/dbraw/zinc/91/62/08/781916208.db2.gz IIZIHOYRXUTQFX-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCOC1 ZINC001191638187 781916713 /nfs/dbraw/zinc/91/67/13/781916713.db2.gz XJKDAEIBGBZODH-YNEHKIRRSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCOC1 ZINC001191638187 781916720 /nfs/dbraw/zinc/91/67/20/781916720.db2.gz XJKDAEIBGBZODH-YNEHKIRRSA-N 1 1 302.371 -1.417 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)OC)C1 ZINC001191561992 781917115 /nfs/dbraw/zinc/91/71/15/781917115.db2.gz WVCXBQITDSXNOX-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)OC)C1 ZINC001191561994 781917150 /nfs/dbraw/zinc/91/71/50/781917150.db2.gz WVCXBQITDSXNOX-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001191607662 781917233 /nfs/dbraw/zinc/91/72/33/781917233.db2.gz IRCJHDDWXPMXDD-JHJVBQTASA-N 1 1 312.370 -1.869 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720227 781917943 /nfs/dbraw/zinc/91/79/43/781917943.db2.gz QTPFMUDVGUDYCG-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720227 781917946 /nfs/dbraw/zinc/91/79/46/781917946.db2.gz QTPFMUDVGUDYCG-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191720536 781918606 /nfs/dbraw/zinc/91/86/06/781918606.db2.gz TUTOKQIWLCUOKH-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191720536 781918614 /nfs/dbraw/zinc/91/86/14/781918614.db2.gz TUTOKQIWLCUOKH-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001377445260 921820800 /nfs/dbraw/zinc/82/08/00/921820800.db2.gz LDDOUEVUEONYDA-WDEREUQCSA-N 1 1 322.431 -1.487 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CC(C)(C)O)CC1 ZINC001377547112 921833389 /nfs/dbraw/zinc/83/33/89/921833389.db2.gz LMHUOADSTCWZQV-UHFFFAOYSA-N 1 1 301.387 -1.164 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCCC2)CCO1 ZINC001376860920 921739449 /nfs/dbraw/zinc/73/94/49/921739449.db2.gz JKFVMDLPQUMGFQ-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001376867215 921738472 /nfs/dbraw/zinc/73/84/72/921738472.db2.gz IHMHJKUWMCXBLV-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2cnn(C)n2)c(=O)n1C ZINC001376867221 921738561 /nfs/dbraw/zinc/73/85/61/921738561.db2.gz IHMHJKUWMCXBLV-VIFPVBQESA-N 1 1 322.373 -1.687 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN2CCCC2)CCO1 ZINC001376860910 921739287 /nfs/dbraw/zinc/73/92/87/921739287.db2.gz JKFVMDLPQUMGFQ-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001376875182 921741690 /nfs/dbraw/zinc/74/16/90/921741690.db2.gz ULNIEPTWEVWYHN-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001376879537 921742065 /nfs/dbraw/zinc/74/20/65/921742065.db2.gz HAIZUYKGRBYPRI-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NCc2nnnn2C)C1 ZINC001376892601 921742760 /nfs/dbraw/zinc/74/27/60/921742760.db2.gz UDXOMQPYKXMHKY-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NCc2nnnn2C)C1 ZINC001376892601 921742766 /nfs/dbraw/zinc/74/27/66/921742766.db2.gz UDXOMQPYKXMHKY-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)c1=O ZINC001376892435 921742977 /nfs/dbraw/zinc/74/29/77/921742977.db2.gz PXNOPYRUJMDYRK-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001376882121 921743532 /nfs/dbraw/zinc/74/35/32/921743532.db2.gz LHOYIXYZUGKNDT-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ncnn1C ZINC001376915727 921745002 /nfs/dbraw/zinc/74/50/02/921745002.db2.gz BJTRGWVWTJROJG-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001376935953 921749613 /nfs/dbraw/zinc/74/96/13/921749613.db2.gz LVQFTFSRYAWHDI-VIFPVBQESA-N 1 1 308.342 -1.415 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001376980153 921754145 /nfs/dbraw/zinc/75/41/45/921754145.db2.gz RTVASJMZCNANFJ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376990868 921754594 /nfs/dbraw/zinc/75/45/94/921754594.db2.gz ZSBQHVJBETYBNY-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001376986890 921754731 /nfs/dbraw/zinc/75/47/31/921754731.db2.gz RTVJPKVMTBPVIE-SDDRHHMPSA-N 1 1 316.402 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001376963668 921756086 /nfs/dbraw/zinc/75/60/86/921756086.db2.gz AIVIPFGHWHYMQI-QMMMGPOBSA-N 1 1 317.375 -2.550 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnn(C)n1 ZINC001377056232 921759599 /nfs/dbraw/zinc/75/95/99/921759599.db2.gz YMOJCRIABJPBAZ-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnn(C)n1 ZINC001377056230 921761333 /nfs/dbraw/zinc/76/13/33/921761333.db2.gz YMOJCRIABJPBAZ-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@H+](CCNC(=O)C1=COCCO1)CCNS(C)(=O)=O ZINC001377117137 921765247 /nfs/dbraw/zinc/76/52/47/921765247.db2.gz SDWDMAKZLHHWIW-UHFFFAOYSA-N 1 1 307.372 -1.528 20 0 DAADMO C[N@@H+](CCNC(=O)C1=COCCO1)CCNS(C)(=O)=O ZINC001377117137 921765261 /nfs/dbraw/zinc/76/52/61/921765261.db2.gz SDWDMAKZLHHWIW-UHFFFAOYSA-N 1 1 307.372 -1.528 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377132080 921768173 /nfs/dbraw/zinc/76/81/73/921768173.db2.gz AMYFTRSFTCUXDC-YUMQZZPRSA-N 1 1 300.315 -1.962 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377132080 921768184 /nfs/dbraw/zinc/76/81/84/921768184.db2.gz AMYFTRSFTCUXDC-YUMQZZPRSA-N 1 1 300.315 -1.962 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001377136692 921768210 /nfs/dbraw/zinc/76/82/10/921768210.db2.gz LLTSPDSMJIBKQS-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001377136692 921768224 /nfs/dbraw/zinc/76/82/24/921768224.db2.gz LLTSPDSMJIBKQS-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCNC(N)=O)C2 ZINC001377129971 921768856 /nfs/dbraw/zinc/76/88/56/921768856.db2.gz HUAWJZQQYCOOAB-CQSZACIVSA-N 1 1 311.386 -1.155 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377129681 921769861 /nfs/dbraw/zinc/76/98/61/921769861.db2.gz NSJOYLTWFJRCMT-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001377129681 921769869 /nfs/dbraw/zinc/76/98/69/921769869.db2.gz NSJOYLTWFJRCMT-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCn1cccn1 ZINC001377119400 921769896 /nfs/dbraw/zinc/76/98/96/921769896.db2.gz CIIYQVOWTVSIML-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCn1cccn1 ZINC001377119400 921769904 /nfs/dbraw/zinc/76/99/04/921769904.db2.gz CIIYQVOWTVSIML-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001377145778 921772359 /nfs/dbraw/zinc/77/23/59/921772359.db2.gz HFTRMOQEAJEVJQ-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001377145791 921772854 /nfs/dbraw/zinc/77/28/54/921772854.db2.gz QWYYWDPDJIKQKX-NXEZZACHSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001377145791 921772870 /nfs/dbraw/zinc/77/28/70/921772870.db2.gz QWYYWDPDJIKQKX-NXEZZACHSA-N 1 1 302.375 -1.105 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001377150502 921773701 /nfs/dbraw/zinc/77/37/01/921773701.db2.gz CHYMZOGSDWCCDO-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001377150502 921773714 /nfs/dbraw/zinc/77/37/14/921773714.db2.gz CHYMZOGSDWCCDO-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377149382 921774345 /nfs/dbraw/zinc/77/43/45/921774345.db2.gz FYCKHVOUZPYYFL-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377149382 921774359 /nfs/dbraw/zinc/77/43/59/921774359.db2.gz FYCKHVOUZPYYFL-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)CC1=O ZINC001377166237 921775794 /nfs/dbraw/zinc/77/57/94/921775794.db2.gz OTAUACNYHFTKCO-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)CC1=O ZINC001377166237 921775810 /nfs/dbraw/zinc/77/58/10/921775810.db2.gz OTAUACNYHFTKCO-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001377167017 921776650 /nfs/dbraw/zinc/77/66/50/921776650.db2.gz RNWPYUPLXSHBIV-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001377167017 921776663 /nfs/dbraw/zinc/77/66/63/921776663.db2.gz RNWPYUPLXSHBIV-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377164706 921777058 /nfs/dbraw/zinc/77/70/58/921777058.db2.gz SDJZVEZAPCHYKS-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377164706 921777072 /nfs/dbraw/zinc/77/70/72/921777072.db2.gz SDJZVEZAPCHYKS-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1=O)CCn1cccn1 ZINC001377170853 921777618 /nfs/dbraw/zinc/77/76/18/921777618.db2.gz MZIAMYOMIIBCFW-UHFFFAOYSA-N 1 1 309.370 -1.210 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC ZINC001377181330 921779085 /nfs/dbraw/zinc/77/90/85/921779085.db2.gz NIOWJHRAMUYTLH-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)CCn2cccn2)c1=O ZINC001377198646 921779285 /nfs/dbraw/zinc/77/92/85/921779285.db2.gz RFAZFTZIYSMHKZ-UHFFFAOYSA-N 1 1 321.385 -1.083 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001377183957 921779782 /nfs/dbraw/zinc/77/97/82/921779782.db2.gz QPORWBGYZXAMLZ-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1n[nH]cc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377196572 921780156 /nfs/dbraw/zinc/78/01/56/921780156.db2.gz GYUXDMSXDNOCAF-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1n[nH]cc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377196572 921780168 /nfs/dbraw/zinc/78/01/68/921780168.db2.gz GYUXDMSXDNOCAF-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001377178077 921781342 /nfs/dbraw/zinc/78/13/42/921781342.db2.gz CYMSNPFLOMWFGP-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001377178077 921781348 /nfs/dbraw/zinc/78/13/48/921781348.db2.gz CYMSNPFLOMWFGP-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[N@H+](CCNC(=O)c1n[nH]c2c1CCC2)CC(=O)NC(N)=O ZINC001377191562 921781369 /nfs/dbraw/zinc/78/13/69/921781369.db2.gz SBUHVKCBBOYCGV-UHFFFAOYSA-N 1 1 308.342 -1.245 20 0 DAADMO C[N@@H+](CCNC(=O)c1n[nH]c2c1CCC2)CC(=O)NC(N)=O ZINC001377191562 921781373 /nfs/dbraw/zinc/78/13/73/921781373.db2.gz SBUHVKCBBOYCGV-UHFFFAOYSA-N 1 1 308.342 -1.245 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001377216977 921782270 /nfs/dbraw/zinc/78/22/70/921782270.db2.gz VRBXLBOVPHSHLW-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001377216977 921782279 /nfs/dbraw/zinc/78/22/79/921782279.db2.gz VRBXLBOVPHSHLW-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1 ZINC001377199307 921784169 /nfs/dbraw/zinc/78/41/69/921784169.db2.gz BQGLFFVLEVVBEQ-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1 ZINC001377199307 921784176 /nfs/dbraw/zinc/78/41/76/921784176.db2.gz BQGLFFVLEVVBEQ-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377210378 921784456 /nfs/dbraw/zinc/78/44/56/921784456.db2.gz ILJWJTYNXZVKDN-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377210378 921784465 /nfs/dbraw/zinc/78/44/65/921784465.db2.gz ILJWJTYNXZVKDN-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)COCC(F)F ZINC001377201793 921785405 /nfs/dbraw/zinc/78/54/05/921785405.db2.gz YRLHMLCVJHDGKD-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)COCC(F)F ZINC001377201793 921785420 /nfs/dbraw/zinc/78/54/20/921785420.db2.gz YRLHMLCVJHDGKD-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377211158 921785798 /nfs/dbraw/zinc/78/57/98/921785798.db2.gz MAIXEHTZQMKUTQ-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377211158 921785806 /nfs/dbraw/zinc/78/58/06/921785806.db2.gz MAIXEHTZQMKUTQ-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1ccn(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c(=O)c1 ZINC001377223019 921788637 /nfs/dbraw/zinc/78/86/37/921788637.db2.gz GIPWJCZXGNJTCO-UHFFFAOYSA-N 1 1 323.353 -1.600 20 0 DAADMO Cc1ccn(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c(=O)c1 ZINC001377223019 921788652 /nfs/dbraw/zinc/78/86/52/921788652.db2.gz GIPWJCZXGNJTCO-UHFFFAOYSA-N 1 1 323.353 -1.600 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)C[C@H](C)O ZINC001377227261 921789183 /nfs/dbraw/zinc/78/91/83/921789183.db2.gz ONYNOVZMZNVOOM-QWRGUYRKSA-N 1 1 309.432 -1.011 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001377242522 921790112 /nfs/dbraw/zinc/79/01/12/921790112.db2.gz DIPBRFKYLQJPAL-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001377242522 921790129 /nfs/dbraw/zinc/79/01/29/921790129.db2.gz DIPBRFKYLQJPAL-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001377234951 921790679 /nfs/dbraw/zinc/79/06/79/921790679.db2.gz GTTRXXBKVBTXHP-JTQLQIEISA-N 1 1 323.353 -1.325 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001377234951 921790691 /nfs/dbraw/zinc/79/06/91/921790691.db2.gz GTTRXXBKVBTXHP-JTQLQIEISA-N 1 1 323.353 -1.325 20 0 DAADMO CNC(=O)c1cccc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)n1 ZINC001377256380 921794177 /nfs/dbraw/zinc/79/41/77/921794177.db2.gz QDWOHCAWUHLVCY-LBPRGKRZSA-N 1 1 319.365 -1.009 20 0 DAADMO CNC(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC001377256380 921794185 /nfs/dbraw/zinc/79/41/85/921794185.db2.gz QDWOHCAWUHLVCY-LBPRGKRZSA-N 1 1 319.365 -1.009 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377266368 921794735 /nfs/dbraw/zinc/79/47/35/921794735.db2.gz MXYZVKRZIUYPNO-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377266372 921796448 /nfs/dbraw/zinc/79/64/48/921796448.db2.gz MXYZVKRZIUYPNO-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001377286892 921799662 /nfs/dbraw/zinc/79/96/62/921799662.db2.gz LDPDOPAPFARFCE-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001377286892 921799671 /nfs/dbraw/zinc/79/96/71/921799671.db2.gz LDPDOPAPFARFCE-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO CCOCC(=O)N1CCN(C2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001377331191 921801884 /nfs/dbraw/zinc/80/18/84/921801884.db2.gz ZOVIFEOQHOIEBW-AWEZNQCLSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC001377333138 921802752 /nfs/dbraw/zinc/80/27/52/921802752.db2.gz NGGFIPBFDNTMNR-UHFFFAOYSA-N 1 1 313.402 -1.610 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1nnnc1C(C)C)CC(=O)NC ZINC001377345903 921806349 /nfs/dbraw/zinc/80/63/49/921806349.db2.gz AXVOCFLMOMPSSY-UHFFFAOYSA-N 1 1 311.390 -1.019 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nnnc1C(C)C)CC(=O)NC ZINC001377345903 921806357 /nfs/dbraw/zinc/80/63/57/921806357.db2.gz AXVOCFLMOMPSSY-UHFFFAOYSA-N 1 1 311.390 -1.019 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CCN1CCCC1=O ZINC001377337981 921806383 /nfs/dbraw/zinc/80/63/83/921806383.db2.gz DQGZMCXLIIAVOJ-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@@H]1CCNC1=O ZINC001377348558 921806522 /nfs/dbraw/zinc/80/65/22/921806522.db2.gz BIXIKDJNJFKNNV-GFCCVEGCSA-N 1 1 321.381 -1.040 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnccc1=O)[C@H](C)C(N)=O ZINC001377350682 921806989 /nfs/dbraw/zinc/80/69/89/921806989.db2.gz KOZRFUWNAJLFRX-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@H](C)C(N)=O ZINC001377350682 921806995 /nfs/dbraw/zinc/80/69/95/921806995.db2.gz KOZRFUWNAJLFRX-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@H](O)COC ZINC001377366271 921807786 /nfs/dbraw/zinc/80/77/86/921807786.db2.gz CGWTYFUWUZJNQI-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@@H](C)C(=O)NC ZINC001377361223 921808356 /nfs/dbraw/zinc/80/83/56/921808356.db2.gz VHTCASCXUGZXMW-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@@H](C)C(=O)NC ZINC001377361223 921808375 /nfs/dbraw/zinc/80/83/75/921808375.db2.gz VHTCASCXUGZXMW-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001377358120 921808948 /nfs/dbraw/zinc/80/89/48/921808948.db2.gz SZCOOOZUWCAONR-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001377358120 921808958 /nfs/dbraw/zinc/80/89/58/921808958.db2.gz SZCOOOZUWCAONR-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001377379291 921809178 /nfs/dbraw/zinc/80/91/78/921809178.db2.gz LHOKFMBECANIMO-DCAQKATOSA-N 1 1 302.375 -1.369 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001377369085 921809433 /nfs/dbraw/zinc/80/94/33/921809433.db2.gz UTFXZFZGOBXVOK-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H]([NH2+]CC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1)C(N)=O ZINC001377340392 921804119 /nfs/dbraw/zinc/80/41/19/921804119.db2.gz OIRKQAFHHLNNHN-SNVBAGLBSA-N 1 1 309.370 -1.231 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377337905 921804935 /nfs/dbraw/zinc/80/49/35/921804935.db2.gz CXULBXUFNQSYEM-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377337905 921804948 /nfs/dbraw/zinc/80/49/48/921804948.db2.gz CXULBXUFNQSYEM-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000971489412 916087501 /nfs/dbraw/zinc/08/75/01/916087501.db2.gz KXJBPDOUQWDQIL-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001022008336 916097042 /nfs/dbraw/zinc/09/70/42/916097042.db2.gz UDJIFMIMLREPRE-PHIMTYICSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001078344671 916103113 /nfs/dbraw/zinc/10/31/13/916103113.db2.gz SZHCNZZEFXAKIV-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001083298472 916104579 /nfs/dbraw/zinc/10/45/79/916104579.db2.gz DXHHZKMQTWCPOX-MNOVXSKESA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1Cc1nnn(C)n1 ZINC001088505390 916105527 /nfs/dbraw/zinc/10/55/27/916105527.db2.gz HHVBRXKHPXESBU-WOPDTQHZSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1Cc1nnn(C)n1 ZINC001088505390 916105542 /nfs/dbraw/zinc/10/55/42/916105542.db2.gz HHVBRXKHPXESBU-WOPDTQHZSA-N 1 1 323.401 -1.380 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001090097948 916108509 /nfs/dbraw/zinc/10/85/09/916108509.db2.gz CMRFJVJEJHZGGQ-PWSUYJOCSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001090097951 916108607 /nfs/dbraw/zinc/10/86/07/916108607.db2.gz CMRFJVJEJHZGGQ-ZYHUDNBSSA-N 1 1 322.369 -1.400 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088549958 916108850 /nfs/dbraw/zinc/10/88/50/916108850.db2.gz KFCYAYNBPBQNQQ-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088549958 916108857 /nfs/dbraw/zinc/10/88/57/916108857.db2.gz KFCYAYNBPBQNQQ-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105146862 916114019 /nfs/dbraw/zinc/11/40/19/916114019.db2.gz MLJZJTOVONBERE-VIFPVBQESA-N 1 1 310.358 -1.732 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105192009 916123387 /nfs/dbraw/zinc/12/33/87/916123387.db2.gz JIPJZZNAWKABJX-CYBMUJFWSA-N 1 1 308.386 -1.163 20 0 DAADMO O=C(CN1CCOCC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105214033 916126001 /nfs/dbraw/zinc/12/60/01/916126001.db2.gz ZYVUJKUAVUBQDR-UHFFFAOYSA-N 1 1 324.385 -1.925 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001114355472 916130006 /nfs/dbraw/zinc/13/00/06/916130006.db2.gz MDZLKIOVEAQTIY-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001114355472 916130014 /nfs/dbraw/zinc/13/00/14/916130014.db2.gz MDZLKIOVEAQTIY-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114370911 916131158 /nfs/dbraw/zinc/13/11/58/916131158.db2.gz AREGCCLEMQJUOY-IWIIMEHWSA-N 1 1 309.370 -1.806 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CCC1 ZINC001187298970 916153313 /nfs/dbraw/zinc/15/33/13/916153313.db2.gz UPUOCCYOPCTGRH-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247786 916156530 /nfs/dbraw/zinc/15/65/30/916156530.db2.gz SKTODWVDJRUTLN-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246419 916157395 /nfs/dbraw/zinc/15/73/95/916157395.db2.gz BSJYLLJFPJAYKE-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(CCNC(=O)c1ccco1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198459058 916164606 /nfs/dbraw/zinc/16/46/06/916164606.db2.gz PLZMTNNYXJVJCI-GHMZBOCLSA-N 1 1 311.338 -1.447 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001198423833 916164813 /nfs/dbraw/zinc/16/48/13/916164813.db2.gz HUSCAWPPFYEFCX-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001198423833 916164821 /nfs/dbraw/zinc/16/48/21/916164821.db2.gz HUSCAWPPFYEFCX-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001198465995 916165097 /nfs/dbraw/zinc/16/50/97/916165097.db2.gz CVSDCOXCBRLZIS-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1c(=O)[nH]c(=O)c(N=O)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251035982 916172102 /nfs/dbraw/zinc/17/21/02/916172102.db2.gz UUMFDCSYAPDPAK-MRVPVSSYSA-N 1 1 313.314 -1.011 20 0 DAADMO Cn1c(=O)[nH]c(=O)c(N=O)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251035992 916172841 /nfs/dbraw/zinc/17/28/41/916172841.db2.gz UUMFDCSYAPDPAK-QMMMGPOBSA-N 1 1 313.314 -1.011 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001266743555 916181344 /nfs/dbraw/zinc/18/13/44/916181344.db2.gz OQKPHVXOZDYZQI-QWHCGFSZSA-N 1 1 323.397 -1.052 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C(C)(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001266822237 916182750 /nfs/dbraw/zinc/18/27/50/916182750.db2.gz QZNFVUOPNCNMAA-SECBINFHSA-N 1 1 324.389 -1.343 20 0 DAADMO CCn1ncc(C[NH2+]CCN(C)C(=O)Cn2ncn(C)c2=O)n1 ZINC001266752369 916185177 /nfs/dbraw/zinc/18/51/77/916185177.db2.gz PXYAVBZOWYMQAO-UHFFFAOYSA-N 1 1 322.373 -1.559 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001266752454 916185310 /nfs/dbraw/zinc/18/53/10/916185310.db2.gz RYPHGTLMVQLURI-GFCCVEGCSA-N 1 1 316.402 -1.248 20 0 DAADMO C[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028428 916188703 /nfs/dbraw/zinc/18/87/03/916188703.db2.gz UMDWBQPHTOINIZ-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028428 916188712 /nfs/dbraw/zinc/18/87/12/916188712.db2.gz UMDWBQPHTOINIZ-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO NC(=O)CC(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001313443221 916213846 /nfs/dbraw/zinc/21/38/46/916213846.db2.gz SHJFYVTYWWWTSL-UHFFFAOYSA-N 1 1 311.342 -2.052 20 0 DAADMO COCC(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001313440544 916215923 /nfs/dbraw/zinc/21/59/23/916215923.db2.gz LEQAFGOBYLDDOJ-UHFFFAOYSA-N 1 1 310.354 -1.281 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001316606825 916219297 /nfs/dbraw/zinc/21/92/97/916219297.db2.gz QBYFIVKMIPZFCY-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1COCCO1 ZINC001316759881 916220294 /nfs/dbraw/zinc/22/02/94/916220294.db2.gz CNMMTKKHAWMONQ-NSHDSACASA-N 1 1 303.359 -1.706 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1COCCO1 ZINC001316759881 916220314 /nfs/dbraw/zinc/22/03/14/916220314.db2.gz CNMMTKKHAWMONQ-NSHDSACASA-N 1 1 303.359 -1.706 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001316764063 916220876 /nfs/dbraw/zinc/22/08/76/916220876.db2.gz YJVQMQRMCQUCCD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001316764063 916220895 /nfs/dbraw/zinc/22/08/95/916220895.db2.gz YJVQMQRMCQUCCD-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001316745899 916222836 /nfs/dbraw/zinc/22/28/36/916222836.db2.gz ZPAVFMTWIYXYFG-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001316745899 916222856 /nfs/dbraw/zinc/22/28/56/916222856.db2.gz ZPAVFMTWIYXYFG-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCN(C)C(=O)c1nc[nH]n1 ZINC001316765325 916223078 /nfs/dbraw/zinc/22/30/78/916223078.db2.gz NPKPGNLKTJGHEI-UHFFFAOYSA-N 1 1 312.374 -1.087 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCN(C)C(=O)c1nc[nH]n1 ZINC001316765325 916223095 /nfs/dbraw/zinc/22/30/95/916223095.db2.gz NPKPGNLKTJGHEI-UHFFFAOYSA-N 1 1 312.374 -1.087 20 0 DAADMO CNC(=O)NCCC(=O)NCCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001316822120 916227521 /nfs/dbraw/zinc/22/75/21/916227521.db2.gz IUIFGYZHCIHRQW-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@@H+](CCCNC(=O)C(=O)NCC(F)F)[C@@H]1CCNC1=O ZINC001316833545 916229014 /nfs/dbraw/zinc/22/90/14/916229014.db2.gz UEJXODCKVOSOTG-MRVPVSSYSA-N 1 1 306.313 -1.306 20 0 DAADMO Cn1nncc1C(=O)NCCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001316820661 916229844 /nfs/dbraw/zinc/22/98/44/916229844.db2.gz FETOGTXRWSVWNW-UHFFFAOYSA-N 1 1 323.357 -1.581 20 0 DAADMO Cn1ncc(C(=O)NCCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)c1N ZINC001316816904 916230079 /nfs/dbraw/zinc/23/00/79/916230079.db2.gz LAXZZQHCLWLGET-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001316780609 916230382 /nfs/dbraw/zinc/23/03/82/916230382.db2.gz RPAWJJMCHKIXRE-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001316853461 916231187 /nfs/dbraw/zinc/23/11/87/916231187.db2.gz FWOGHXWCNWPHIE-VIFPVBQESA-N 1 1 314.342 -1.774 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NCCC[N@H+](C)CC(N)=O)cn2n1 ZINC001316857474 916231235 /nfs/dbraw/zinc/23/12/35/916231235.db2.gz ZPQDAKQRTXXXLI-UHFFFAOYSA-N 1 1 320.353 -1.132 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+](C)[C@H](C)C(N)=O ZINC001316852661 916231741 /nfs/dbraw/zinc/23/17/41/916231741.db2.gz LWCKPFFPAOOMHH-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cn1ncn(C)c1=O)[C@@H]1CCNC1=O ZINC001316896453 916231792 /nfs/dbraw/zinc/23/17/92/916231792.db2.gz RBOASCKVCOPKDS-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1ncc[nH]1 ZINC001316857627 916232081 /nfs/dbraw/zinc/23/20/81/916232081.db2.gz AUHIMUSSOKRABD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001316852908 916232862 /nfs/dbraw/zinc/23/28/62/916232862.db2.gz AAKSOSIBHKIIDQ-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO CC[N@@H+](CCCNC(=O)CNC(=O)NC)CC(=O)N1CCC1 ZINC001316891598 916233013 /nfs/dbraw/zinc/23/30/13/916233013.db2.gz LYVQWRQXIYHLCH-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@@H+](C)CC(=O)N(C)C ZINC001316870121 916234403 /nfs/dbraw/zinc/23/44/03/916234403.db2.gz USENERNOXFDDGE-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001316845405 916234944 /nfs/dbraw/zinc/23/49/44/916234944.db2.gz HVUWDYBZWGAKEN-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001316867958 916236147 /nfs/dbraw/zinc/23/61/47/916236147.db2.gz AQWWAMWHACSSLT-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001316867957 916236683 /nfs/dbraw/zinc/23/66/83/916236683.db2.gz AQWWAMWHACSSLT-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316940643 916238673 /nfs/dbraw/zinc/23/86/73/916238673.db2.gz IRFVUNLIDHRZBC-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316940643 916238693 /nfs/dbraw/zinc/23/86/93/916238693.db2.gz IRFVUNLIDHRZBC-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001316921211 916238901 /nfs/dbraw/zinc/23/89/01/916238901.db2.gz NDVILRWPDPIRPG-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316940647 916238963 /nfs/dbraw/zinc/23/89/63/916238963.db2.gz IRFVUNLIDHRZBC-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001316940647 916238984 /nfs/dbraw/zinc/23/89/84/916238984.db2.gz IRFVUNLIDHRZBC-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)[C@H](C)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001316957256 916239025 /nfs/dbraw/zinc/23/90/25/916239025.db2.gz LDLRUWOQSFUXJO-NSHDSACASA-N 1 1 313.402 -1.880 20 0 DAADMO O=C(CCn1cnnn1)NCCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001316925953 916242444 /nfs/dbraw/zinc/24/24/44/916242444.db2.gz UKOPMYLKDGKMTC-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[NH+](CCCNC(=O)c2cnon2)CC1 ZINC001316960674 916243223 /nfs/dbraw/zinc/24/32/23/916243223.db2.gz UDBQRVWZVJBGOR-LLVKDONJSA-N 1 1 324.385 -1.058 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCCO)CC1)[C@@H]1CCC(=O)N1 ZINC001316962379 916245360 /nfs/dbraw/zinc/24/53/60/916245360.db2.gz WLWPOERJBLCICP-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCCO)CC1)[C@H]1CCC(=O)N1 ZINC001316958079 916246771 /nfs/dbraw/zinc/24/67/71/916246771.db2.gz WLWPOERJBLCICP-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@@H](O)CN1CC[NH+](CCCNC(=O)Cn2cncn2)CC1 ZINC001316962431 916247046 /nfs/dbraw/zinc/24/70/46/916247046.db2.gz XOBNFPHMDNHNJN-CYBMUJFWSA-N 1 1 310.402 -1.217 20 0 DAADMO CNC(=O)C1(C(=O)NCCC[NH+]2CCN(CCO)CC2)CC1 ZINC001316960398 916247107 /nfs/dbraw/zinc/24/71/07/916247107.db2.gz NNPLIKBKQOQFKL-UHFFFAOYSA-N 1 1 312.414 -1.371 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1)NC(N)=O ZINC001316978318 916248829 /nfs/dbraw/zinc/24/88/29/916248829.db2.gz VFMFQXJKOQBNJD-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1c(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)cc(=O)n(C)c1=O ZINC001316973038 916249942 /nfs/dbraw/zinc/24/99/42/916249942.db2.gz GFZQITKEJOOTMO-SECBINFHSA-N 1 1 323.353 -2.350 20 0 DAADMO Cn1c(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)cc(=O)n(C)c1=O ZINC001316973038 916249958 /nfs/dbraw/zinc/24/99/58/916249958.db2.gz GFZQITKEJOOTMO-SECBINFHSA-N 1 1 323.353 -2.350 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985773 916252148 /nfs/dbraw/zinc/25/21/48/916252148.db2.gz NDRJVLLRJRAKPT-IUCAKERBSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985773 916252168 /nfs/dbraw/zinc/25/21/68/916252168.db2.gz NDRJVLLRJRAKPT-IUCAKERBSA-N 1 1 308.338 -1.752 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001316994971 916254485 /nfs/dbraw/zinc/25/44/85/916254485.db2.gz MMSUITOYFDXLPI-WDEREUQCSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001316994970 916254866 /nfs/dbraw/zinc/25/48/66/916254866.db2.gz MMSUITOYFDXLPI-QWRGUYRKSA-N 1 1 321.399 -2.123 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001317043165 916261236 /nfs/dbraw/zinc/26/12/36/916261236.db2.gz IFZARTPIERYYGQ-QWRGUYRKSA-N 1 1 324.381 -1.305 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001317027030 916261357 /nfs/dbraw/zinc/26/13/57/916261357.db2.gz FFYRKRMRRDINBD-HZMBPMFUSA-N 1 1 321.385 -1.279 20 0 DAADMO COCCCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317135617 916270125 /nfs/dbraw/zinc/27/01/25/916270125.db2.gz OIDJHGONRKHGMC-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCCC[N@H+]1CCN1CCNC1=O ZINC001317169742 916272734 /nfs/dbraw/zinc/27/27/34/916272734.db2.gz MMSVFAAULZDDTO-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001317249035 916279357 /nfs/dbraw/zinc/27/93/57/916279357.db2.gz CWJMCXKERPYCIQ-SNVBAGLBSA-N 1 1 322.369 -1.052 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278537 916283667 /nfs/dbraw/zinc/28/36/67/916283667.db2.gz YHNLQXUXQZXVOA-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448383 916296441 /nfs/dbraw/zinc/29/64/41/916296441.db2.gz LKGVCRGRKKRXMA-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448383 916296465 /nfs/dbraw/zinc/29/64/65/916296465.db2.gz LKGVCRGRKKRXMA-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[N@H+](CCNC(=O)c1cc[n+]([O-])cc1)CCNS(C)(=O)=O ZINC001317437160 916296990 /nfs/dbraw/zinc/29/69/90/916296990.db2.gz NXRPZBFFHXBMOB-UHFFFAOYSA-N 1 1 316.383 -1.469 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc[n+]([O-])cc1)CCNS(C)(=O)=O ZINC001317437160 916297005 /nfs/dbraw/zinc/29/70/05/916297005.db2.gz NXRPZBFFHXBMOB-UHFFFAOYSA-N 1 1 316.383 -1.469 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1N)CCN1C(=O)CCC1=O ZINC001317441370 916298623 /nfs/dbraw/zinc/29/86/23/916298623.db2.gz LKZHZYQHAWHGFD-UHFFFAOYSA-N 1 1 320.353 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001317452332 916299149 /nfs/dbraw/zinc/29/91/49/916299149.db2.gz HCHHKEHMRBISRV-UHFFFAOYSA-N 1 1 301.347 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC001317452332 916299158 /nfs/dbraw/zinc/29/91/58/916299158.db2.gz HCHHKEHMRBISRV-UHFFFAOYSA-N 1 1 301.347 -1.999 20 0 DAADMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CCN1C(=O)CCC1=O ZINC001317458261 916300361 /nfs/dbraw/zinc/30/03/61/916300361.db2.gz BEYWFIOEKBFRDX-UHFFFAOYSA-N 1 1 310.354 -1.551 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)NCC1CC1)[C@H]1CCC(=O)NC1=O ZINC001317467618 916300413 /nfs/dbraw/zinc/30/04/13/916300413.db2.gz IVXSHAALJYCSLH-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCC1CC1)[C@H]1CCC(=O)NC1=O ZINC001317467618 916300431 /nfs/dbraw/zinc/30/04/31/916300431.db2.gz IVXSHAALJYCSLH-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CCC(=O)NC1=O ZINC001317469886 916302528 /nfs/dbraw/zinc/30/25/28/916302528.db2.gz KKUUWBNRLZQJCX-SNVBAGLBSA-N 1 1 321.337 -1.420 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CCC(=O)NC1=O ZINC001317469886 916302549 /nfs/dbraw/zinc/30/25/49/916302549.db2.gz KKUUWBNRLZQJCX-SNVBAGLBSA-N 1 1 321.337 -1.420 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317461585 916302875 /nfs/dbraw/zinc/30/28/75/916302875.db2.gz YSXCAVBHUHZMPV-MNOVXSKESA-N 1 1 312.370 -1.246 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317461585 916302896 /nfs/dbraw/zinc/30/28/96/916302896.db2.gz YSXCAVBHUHZMPV-MNOVXSKESA-N 1 1 312.370 -1.246 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475972 916305973 /nfs/dbraw/zinc/30/59/73/916305973.db2.gz OBFZJTVOGJQDBJ-VHSXEESVSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475972 916305995 /nfs/dbraw/zinc/30/59/95/916305995.db2.gz OBFZJTVOGJQDBJ-VHSXEESVSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1nnc[nH]1 ZINC001317487647 916307095 /nfs/dbraw/zinc/30/70/95/916307095.db2.gz AUSXNRZLPMUMKU-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO CC[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1ncn[nH]1 ZINC001317487647 916307114 /nfs/dbraw/zinc/30/71/14/916307114.db2.gz AUSXNRZLPMUMKU-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO CC[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1ncn[nH]1 ZINC001317487647 916307134 /nfs/dbraw/zinc/30/71/34/916307134.db2.gz AUSXNRZLPMUMKU-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO CC[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1nc[nH]n1 ZINC001317487647 916307154 /nfs/dbraw/zinc/30/71/54/916307154.db2.gz AUSXNRZLPMUMKU-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO CC[N@@H+](CCCN1C(=O)CNC1=O)CCNC(=O)c1nc[nH]n1 ZINC001317487647 916307176 /nfs/dbraw/zinc/30/71/76/916307176.db2.gz AUSXNRZLPMUMKU-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475973 916307414 /nfs/dbraw/zinc/30/74/14/916307414.db2.gz OBFZJTVOGJQDBJ-ZJUUUORDSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475973 916307432 /nfs/dbraw/zinc/30/74/32/916307432.db2.gz OBFZJTVOGJQDBJ-ZJUUUORDSA-N 1 1 324.381 -1.246 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)[C@H]1CCC(=O)NC1=O ZINC001317477223 916307793 /nfs/dbraw/zinc/30/77/93/916307793.db2.gz HJNXEHFHOBYGPK-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C1=O)C[C@@H](O)COC ZINC001317483318 916308063 /nfs/dbraw/zinc/30/80/63/916308063.db2.gz DGJBKAJWTRCLGD-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc[n+]([O-])cc1)CC(=O)NC(=O)NC ZINC001317476765 916309101 /nfs/dbraw/zinc/30/91/01/916309101.db2.gz XVARJYJGQYYWSP-UHFFFAOYSA-N 1 1 323.353 -1.173 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc[n+]([O-])cc1)CC(=O)NC(=O)NC ZINC001317476765 916309120 /nfs/dbraw/zinc/30/91/20/916309120.db2.gz XVARJYJGQYYWSP-UHFFFAOYSA-N 1 1 323.353 -1.173 20 0 DAADMO C[N@@H+](CCNC(=O)CCNC(N)=O)CCN1C(=O)CCC1=O ZINC001317470938 916309264 /nfs/dbraw/zinc/30/92/64/916309264.db2.gz YLDNNTSWRLMSGT-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)[C@H]1CCC(=O)NC1=O ZINC001317483826 916309452 /nfs/dbraw/zinc/30/94/52/916309452.db2.gz KZYWMEDGAXXCHP-VIFPVBQESA-N 1 1 323.353 -1.017 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)nn1 ZINC001317472990 916309708 /nfs/dbraw/zinc/30/97/08/916309708.db2.gz OHESGIXUVODVGN-LLVKDONJSA-N 1 1 322.369 -1.399 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)nn1 ZINC001317472990 916309728 /nfs/dbraw/zinc/30/97/28/916309728.db2.gz OHESGIXUVODVGN-LLVKDONJSA-N 1 1 322.369 -1.399 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c[nH]c(=O)n1C)[C@@H]1CCC(=O)NC1=O ZINC001317483822 916310073 /nfs/dbraw/zinc/31/00/73/916310073.db2.gz KZYWMEDGAXXCHP-SECBINFHSA-N 1 1 323.353 -1.017 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)ccc1=O ZINC001317536873 916318842 /nfs/dbraw/zinc/31/88/42/916318842.db2.gz ZPDRUOCQNKMNTH-LBPRGKRZSA-N 1 1 324.381 -1.159 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317534737 916320246 /nfs/dbraw/zinc/32/02/46/916320246.db2.gz KTFYPKLRSZCMTQ-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO CN(CC[NH2+]Cc1noc2c1COCC2)C(=O)Cn1cnnn1 ZINC001317564360 916328480 /nfs/dbraw/zinc/32/84/80/916328480.db2.gz DLWVIUWNDOTZRX-UHFFFAOYSA-N 1 1 321.341 -1.018 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001317586188 916329001 /nfs/dbraw/zinc/32/90/01/916329001.db2.gz GCPAYDMFFLZLQP-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO CN(CC[NH2+]Cc1ccn(C)n1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001317588091 916330542 /nfs/dbraw/zinc/33/05/42/916330542.db2.gz AXZAAAFVYNSSKB-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001317596118 916330784 /nfs/dbraw/zinc/33/07/84/916330784.db2.gz GXKIJDDGNXAJFK-VIFPVBQESA-N 1 1 309.330 -2.039 20 0 DAADMO CN(CC[NH2+]Cc1ccn(C)n1)C(=O)CN1CCNC(=O)C1 ZINC001317617035 916333813 /nfs/dbraw/zinc/33/38/13/916333813.db2.gz IWJMAQCMRLSKIJ-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1coc(C)n1 ZINC001317613947 916334328 /nfs/dbraw/zinc/33/43/28/916334328.db2.gz AGFZYFLFZDSREB-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001317607445 916336488 /nfs/dbraw/zinc/33/64/88/916336488.db2.gz LPLFKHCOYHPTEA-JTQLQIEISA-N 1 1 315.399 -1.202 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001317641128 916340483 /nfs/dbraw/zinc/34/04/83/916340483.db2.gz ZCVZVAKYTBSYPD-UHFFFAOYSA-N 1 1 322.369 -1.101 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CN1C(=O)CN(C)C1=O ZINC001317661056 916342691 /nfs/dbraw/zinc/34/26/91/916342691.db2.gz HSIXLZIOXNRJDM-UHFFFAOYSA-N 1 1 323.357 -1.743 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cnns1 ZINC001317661288 916343277 /nfs/dbraw/zinc/34/32/77/916343277.db2.gz USMULXALKWJDSN-UHFFFAOYSA-N 1 1 307.401 -1.365 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001317659955 916345611 /nfs/dbraw/zinc/34/56/11/916345611.db2.gz BYZYHQUSCPFYOO-JTQLQIEISA-N 1 1 316.387 -1.945 20 0 DAADMO NC(=O)CC(=O)NCC[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001317777918 916347720 /nfs/dbraw/zinc/34/77/20/916347720.db2.gz CVMVXQZHESJRTA-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCOC)CC1 ZINC001317797935 916348609 /nfs/dbraw/zinc/34/86/09/916348609.db2.gz UTBBYJFLFJEGBV-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CN(C)c1noc(C[N@@H+]2CC[C@H](CCNC(=O)C(N)=O)C2)n1 ZINC001317797159 916350129 /nfs/dbraw/zinc/35/01/29/916350129.db2.gz KQXZZZYOMHDRSD-VIFPVBQESA-N 1 1 310.358 -1.051 20 0 DAADMO CN(C)c1noc(C[N@H+]2CC[C@H](CCNC(=O)C(N)=O)C2)n1 ZINC001317797159 916350142 /nfs/dbraw/zinc/35/01/42/916350142.db2.gz KQXZZZYOMHDRSD-VIFPVBQESA-N 1 1 310.358 -1.051 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001317856002 916351512 /nfs/dbraw/zinc/35/15/12/916351512.db2.gz ZZIPYFSHINNKKG-GHMZBOCLSA-N 1 1 319.427 -1.067 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](C[N@@H+](C)CCOCCO)C1 ZINC001317833633 916351944 /nfs/dbraw/zinc/35/19/44/916351944.db2.gz UNCKSDMQCLNOLX-RYUDHWBXSA-N 1 1 316.402 -1.168 20 0 DAADMO CN(CC[NH+]1CCN(Cc2nccn2C)CC1)C(=O)CC(N)=O ZINC001317816752 916354440 /nfs/dbraw/zinc/35/44/40/916354440.db2.gz MUYJTHHDUDXKKW-UHFFFAOYSA-N 1 1 322.413 -1.129 20 0 DAADMO C[N@@H+](CC(=O)Nc1cnccn1)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317847809 916354815 /nfs/dbraw/zinc/35/48/15/916354815.db2.gz IJQCDJSWWVWJPC-JTQLQIEISA-N 1 1 320.353 -1.319 20 0 DAADMO C[N@H+](CC(=O)Nc1cnccn1)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317847809 916354833 /nfs/dbraw/zinc/35/48/33/916354833.db2.gz IJQCDJSWWVWJPC-JTQLQIEISA-N 1 1 320.353 -1.319 20 0 DAADMO C[N@@H+](CC(=O)Nc1cnccn1)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317847810 916355203 /nfs/dbraw/zinc/35/52/03/916355203.db2.gz IJQCDJSWWVWJPC-SNVBAGLBSA-N 1 1 320.353 -1.319 20 0 DAADMO C[N@H+](CC(=O)Nc1cnccn1)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317847810 916355221 /nfs/dbraw/zinc/35/52/21/916355221.db2.gz IJQCDJSWWVWJPC-SNVBAGLBSA-N 1 1 320.353 -1.319 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+](CCOCCO)C2)cc1=O ZINC001317973514 916356728 /nfs/dbraw/zinc/35/67/28/916356728.db2.gz ZGHVCCQOFVHBQE-LBPRGKRZSA-N 1 1 324.381 -1.017 20 0 DAADMO CN(CC[N@@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001317926310 916358042 /nfs/dbraw/zinc/35/80/42/916358042.db2.gz FRULZZIQASIZKA-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC[N@H+]1CCC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001317926310 916358058 /nfs/dbraw/zinc/35/80/58/916358058.db2.gz FRULZZIQASIZKA-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001317943327 916359419 /nfs/dbraw/zinc/35/94/19/916359419.db2.gz FNKGJQGEHCHBHA-ZJUUUORDSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001317943327 916359435 /nfs/dbraw/zinc/35/94/35/916359435.db2.gz FNKGJQGEHCHBHA-ZJUUUORDSA-N 1 1 322.365 -1.362 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001317973378 916359598 /nfs/dbraw/zinc/35/95/98/916359598.db2.gz WVMVXQVMWYJAHL-VHSXEESVSA-N 1 1 324.381 -1.116 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001317973378 916359613 /nfs/dbraw/zinc/35/96/13/916359613.db2.gz WVMVXQVMWYJAHL-VHSXEESVSA-N 1 1 324.381 -1.116 20 0 DAADMO O=C(Cc1cc[nH]n1)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318110560 916371286 /nfs/dbraw/zinc/37/12/86/916371286.db2.gz UFOPENSWTIQKGN-NSHDSACASA-N 1 1 305.338 -1.195 20 0 DAADMO CS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001318284334 916378730 /nfs/dbraw/zinc/37/87/30/916378730.db2.gz IXUCSKULNFOUOO-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318239447 916379472 /nfs/dbraw/zinc/37/94/72/916379472.db2.gz STDUUBUKYNRWER-DTWKUNHWSA-N 1 1 312.326 -1.662 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318239447 916379493 /nfs/dbraw/zinc/37/94/93/916379493.db2.gz STDUUBUKYNRWER-DTWKUNHWSA-N 1 1 312.326 -1.662 20 0 DAADMO CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC ZINC001318228733 916379795 /nfs/dbraw/zinc/37/97/95/916379795.db2.gz PGLCTMPFZZPCBW-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)NC ZINC001318228733 916379806 /nfs/dbraw/zinc/37/98/06/916379806.db2.gz PGLCTMPFZZPCBW-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001318257699 916381055 /nfs/dbraw/zinc/38/10/55/916381055.db2.gz SQMDOENYJZMCAV-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001318301318 916385591 /nfs/dbraw/zinc/38/55/91/916385591.db2.gz PMIJPXLCVUYWDB-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001318302345 916387420 /nfs/dbraw/zinc/38/74/20/916387420.db2.gz LOBXZIIMJBWOCQ-NSHDSACASA-N 1 1 324.381 -1.150 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001318302345 916387440 /nfs/dbraw/zinc/38/74/40/916387440.db2.gz LOBXZIIMJBWOCQ-NSHDSACASA-N 1 1 324.381 -1.150 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001318399219 916388290 /nfs/dbraw/zinc/38/82/90/916388290.db2.gz DQRFCJHQZVKFSR-WDEREUQCSA-N 1 1 301.343 -1.364 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001318360838 916391729 /nfs/dbraw/zinc/39/17/29/916391729.db2.gz WAQAYFWJMFNSEB-MNOVXSKESA-N 1 1 314.342 -1.102 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001318445457 916393909 /nfs/dbraw/zinc/39/39/09/916393909.db2.gz NHDWADXEVXYJLH-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001318445457 916393932 /nfs/dbraw/zinc/39/39/32/916393932.db2.gz NHDWADXEVXYJLH-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCOCC[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001318445598 916394539 /nfs/dbraw/zinc/39/45/39/916394539.db2.gz NVWKFFNVUZAHNF-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318466631 916396434 /nfs/dbraw/zinc/39/64/34/916396434.db2.gz WXUGTEWHPVWGGI-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001318466632 916397757 /nfs/dbraw/zinc/39/77/57/916397757.db2.gz WXUGTEWHPVWGGI-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO CCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001318482881 916399739 /nfs/dbraw/zinc/39/97/39/916399739.db2.gz NIISYJLAAZHWER-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO CCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001318482881 916399760 /nfs/dbraw/zinc/39/97/60/916399760.db2.gz NIISYJLAAZHWER-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO O=C(NC1CC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001318519387 916399824 /nfs/dbraw/zinc/39/98/24/916399824.db2.gz WSKDMHSALBSXCV-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001318579916 916404078 /nfs/dbraw/zinc/40/40/78/916404078.db2.gz JKTNGMODCQGIKT-UHFFFAOYSA-N 1 1 310.358 -1.237 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1C(=O)CNC1=O ZINC001318693622 916408833 /nfs/dbraw/zinc/40/88/33/916408833.db2.gz JALDCGFSGAYHMB-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO COC(=O)c1cn(CC(=O)NCCC[NH+]2CCN(C)CC2)nn1 ZINC001319016501 916415692 /nfs/dbraw/zinc/41/56/92/916415692.db2.gz PQWRTZQAKGNIMU-UHFFFAOYSA-N 1 1 324.385 -1.182 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC(CCNC(=O)C(N)=O)CC1 ZINC001319031284 916416166 /nfs/dbraw/zinc/41/61/66/916416166.db2.gz GAGWSULRXBKEIQ-UHFFFAOYSA-N 1 1 305.400 -1.265 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001319205092 916422976 /nfs/dbraw/zinc/42/29/76/916422976.db2.gz JJAKLNIJZWHGDI-QMMMGPOBSA-N 1 1 309.330 -1.688 20 0 DAADMO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)C1=NC(=O)N(C)C1 ZINC001319525714 916439691 /nfs/dbraw/zinc/43/96/91/916439691.db2.gz PYVDBLMMJOPIMF-IUCAKERBSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1=NC(=O)N(C)C1 ZINC001319525713 916440777 /nfs/dbraw/zinc/44/07/77/916440777.db2.gz PYVDBLMMJOPIMF-DTWKUNHWSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1C(=O)CCC1=O ZINC001319582504 916442000 /nfs/dbraw/zinc/44/20/00/916442000.db2.gz UXEGCFWXFSOBEM-SNVBAGLBSA-N 1 1 322.369 -1.099 20 0 DAADMO CN(C1CC[NH+](CCN2C(=O)CNC2=O)CC1)S(C)(=O)=O ZINC001319592431 916442211 /nfs/dbraw/zinc/44/22/11/916442211.db2.gz XJKYGYQNTYGUNG-UHFFFAOYSA-N 1 1 318.399 -1.106 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001319582100 916442700 /nfs/dbraw/zinc/44/27/00/916442700.db2.gz ANCVZKNHDQFIDX-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001319582101 916444158 /nfs/dbraw/zinc/44/41/58/916444158.db2.gz ANCVZKNHDQFIDX-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001319917565 916456603 /nfs/dbraw/zinc/45/66/03/916456603.db2.gz MBGXZBNOUDQGLX-UWVGGRQHSA-N 1 1 324.341 -1.102 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001320041759 916464332 /nfs/dbraw/zinc/46/43/32/916464332.db2.gz GXFFMTJXKNCMRL-QMMMGPOBSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001320041759 916464346 /nfs/dbraw/zinc/46/43/46/916464346.db2.gz GXFFMTJXKNCMRL-QMMMGPOBSA-N 1 1 313.358 -1.775 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C1(C(N)=O)CC1 ZINC001320043388 916464989 /nfs/dbraw/zinc/46/49/89/916464989.db2.gz VEHPMQHKUOBTIE-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C1(C(N)=O)CC1 ZINC001320043388 916464993 /nfs/dbraw/zinc/46/49/93/916464993.db2.gz VEHPMQHKUOBTIE-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001320041757 916465652 /nfs/dbraw/zinc/46/56/52/916465652.db2.gz GXFFMTJXKNCMRL-MRVPVSSYSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001320041757 916465658 /nfs/dbraw/zinc/46/56/58/916465658.db2.gz GXFFMTJXKNCMRL-MRVPVSSYSA-N 1 1 313.358 -1.775 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001320110052 916466633 /nfs/dbraw/zinc/46/66/33/916466633.db2.gz DVNMLDQVENDZPW-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCNC(=O)C2CC2)C1 ZINC001320111337 916468094 /nfs/dbraw/zinc/46/80/94/916468094.db2.gz OHNCTMOKSFPJHA-RYUDHWBXSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(=O)n(C)c1=O ZINC001320181233 916471237 /nfs/dbraw/zinc/47/12/37/916471237.db2.gz SVOGSQSXLDLODY-SECBINFHSA-N 1 1 307.310 -2.180 20 0 DAADMO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(=O)n(C)c1=O ZINC001320181233 916471244 /nfs/dbraw/zinc/47/12/44/916471244.db2.gz SVOGSQSXLDLODY-SECBINFHSA-N 1 1 307.310 -2.180 20 0 DAADMO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001320181234 916471339 /nfs/dbraw/zinc/47/13/39/916471339.db2.gz SVOGSQSXLDLODY-VIFPVBQESA-N 1 1 307.310 -2.180 20 0 DAADMO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(=O)n(C)c1=O ZINC001320181234 916471347 /nfs/dbraw/zinc/47/13/47/916471347.db2.gz SVOGSQSXLDLODY-VIFPVBQESA-N 1 1 307.310 -2.180 20 0 DAADMO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1noc2c1CCCC2 ZINC001320200614 916474343 /nfs/dbraw/zinc/47/43/43/916474343.db2.gz HAUYGYQXFUHTIA-VIFPVBQESA-N 1 1 310.354 -1.005 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227790 916478958 /nfs/dbraw/zinc/47/89/58/916478958.db2.gz UYPHJMPCPOYILJ-QWRGUYRKSA-N 1 1 323.353 -1.786 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001320222492 916481305 /nfs/dbraw/zinc/48/13/05/916481305.db2.gz AGSCJSAUNWNLJE-CYBMUJFWSA-N 1 1 313.358 -1.706 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001320272721 916494064 /nfs/dbraw/zinc/49/40/64/916494064.db2.gz JANXPYDCOMKRGP-ZWNOBZJWSA-N 1 1 310.358 -2.092 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001320275010 916495838 /nfs/dbraw/zinc/49/58/38/916495838.db2.gz SAFVIKLZVGXMGH-IINYFYTJSA-N 1 1 324.385 -1.609 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)CC1 ZINC001320287319 916498608 /nfs/dbraw/zinc/49/86/08/916498608.db2.gz XCCNKPDPQCFOLD-SECBINFHSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1ccc2nncn2c1 ZINC001320286773 916499081 /nfs/dbraw/zinc/49/90/81/916499081.db2.gz OTCGPOXFSMIEPI-NSHDSACASA-N 1 1 317.309 -1.007 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC2CC2)nc1 ZINC001320293600 916499219 /nfs/dbraw/zinc/49/92/19/916499219.db2.gz WXHULHLNGCOLHT-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001320303039 916502257 /nfs/dbraw/zinc/50/22/57/916502257.db2.gz KSMNSWAHYTUIJY-JTQLQIEISA-N 1 1 310.310 -1.610 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn3cc[nH]c23)[nH]1 ZINC001320297751 916502607 /nfs/dbraw/zinc/50/26/07/916502607.db2.gz BOYOQUYUBNZTSK-SECBINFHSA-N 1 1 318.341 -1.031 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1 ZINC001320341204 916503966 /nfs/dbraw/zinc/50/39/66/916503966.db2.gz DOHYOTJCXXJZTM-OAHLLOKOSA-N 1 1 322.365 -1.185 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC001320553064 916515019 /nfs/dbraw/zinc/51/50/19/916515019.db2.gz FWLHJCWHNFDZPJ-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001320666881 916520615 /nfs/dbraw/zinc/52/06/15/916520615.db2.gz ZQZPEKJRLNGCOW-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CNC(=O)C1CC1 ZINC001320683380 916523827 /nfs/dbraw/zinc/52/38/27/916523827.db2.gz LNYUDBZNZNFDRO-UHFFFAOYSA-N 1 1 309.374 -1.326 20 0 DAADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cn1 ZINC001320681670 916523992 /nfs/dbraw/zinc/52/39/92/916523992.db2.gz ZUZHJLHVXJLMBX-LLVKDONJSA-N 1 1 319.321 -1.016 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1CC)C(=O)Cn1ncnn1 ZINC001320737767 916528819 /nfs/dbraw/zinc/52/88/19/916528819.db2.gz NPZOCYKWYBHACR-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CN1C(=O)CNC1=O ZINC001320819136 916530881 /nfs/dbraw/zinc/53/08/81/916530881.db2.gz ONDSHRWGAPMPEF-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009104 916540842 /nfs/dbraw/zinc/54/08/42/916540842.db2.gz UZOBCJCURYYPKV-RYUDHWBXSA-N 1 1 318.370 -1.379 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009104 916540847 /nfs/dbraw/zinc/54/08/47/916540847.db2.gz UZOBCJCURYYPKV-RYUDHWBXSA-N 1 1 318.370 -1.379 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)C[C@H]2CCNC2=O)nc1=O ZINC001321089360 916544526 /nfs/dbraw/zinc/54/45/26/916544526.db2.gz AWJUDSJIGRAGDP-MXQLGCADSA-N 1 1 322.369 -1.603 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)C(C)(C)C(N)=O)nc1=O ZINC001321107302 916549760 /nfs/dbraw/zinc/54/97/60/916549760.db2.gz NBOOTHYNYFEKPG-SNAWJCMRSA-N 1 1 310.358 -1.618 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC001321287882 916560589 /nfs/dbraw/zinc/56/05/89/916560589.db2.gz CRKDNVMPYUPFJZ-UHFFFAOYSA-N 1 1 307.420 -2.206 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCOCC2)CC1 ZINC001321343377 916566265 /nfs/dbraw/zinc/56/62/65/916566265.db2.gz CKUPVSSXDQHQDY-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC001321386530 916569448 /nfs/dbraw/zinc/56/94/48/916569448.db2.gz RBHGCDADUUYUCY-AWEZNQCLSA-N 1 1 317.386 -1.709 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cc[nH]n2)CC1 ZINC001321498741 916576524 /nfs/dbraw/zinc/57/65/24/916576524.db2.gz WHVFZCSGLBJBJV-UHFFFAOYSA-N 1 1 322.369 -1.694 20 0 DAADMO CCN(CCO)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001321529628 916579103 /nfs/dbraw/zinc/57/91/03/916579103.db2.gz IZAJRWXTUASWBS-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[S@@](=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001321528577 916580374 /nfs/dbraw/zinc/58/03/74/916580374.db2.gz JHYAUBUKJWDPHL-HXUWFJFHSA-N 1 1 305.400 -1.680 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CCC1=O ZINC001321735919 916593720 /nfs/dbraw/zinc/59/37/20/916593720.db2.gz MUSVMOQYGQVWAN-MRVPVSSYSA-N 1 1 309.330 -2.047 20 0 DAADMO C[C@@H](C(=O)NCCCN1C(=O)CNC1=O)N1CC[NH+](C)CC1 ZINC001321768157 916594767 /nfs/dbraw/zinc/59/47/67/916594767.db2.gz IOTFYNMFXUBFFJ-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO COc1nn(C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001321803628 916595562 /nfs/dbraw/zinc/59/55/62/916595562.db2.gz JJXZWUXMZGUHMA-ZDUSSCGKSA-N 1 1 311.342 -1.450 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001321799133 916596035 /nfs/dbraw/zinc/59/60/35/916596035.db2.gz VCVITLYVICNOKP-UHFFFAOYSA-N 1 1 310.358 -1.693 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCc1cnn(C)c1 ZINC001321833239 916598827 /nfs/dbraw/zinc/59/88/27/916598827.db2.gz DFEVHCUZBAEAOH-UHFFFAOYSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321876485 916602395 /nfs/dbraw/zinc/60/23/95/916602395.db2.gz SUFLWFVMDYGFMD-CBAPKCEASA-N 1 1 309.330 -1.993 20 0 DAADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001321943212 916610322 /nfs/dbraw/zinc/61/03/22/916610322.db2.gz HHDNYQCQUODBHZ-SECBINFHSA-N 1 1 320.357 -1.216 20 0 DAADMO COCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322101519 916618769 /nfs/dbraw/zinc/61/87/69/916618769.db2.gz BBSQWWGGUAQTIC-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001322123766 916619213 /nfs/dbraw/zinc/61/92/13/916619213.db2.gz YMAGRQCBUIEAEK-OUAUKWLOSA-N 1 1 303.359 -1.084 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001322123766 916619225 /nfs/dbraw/zinc/61/92/25/916619225.db2.gz YMAGRQCBUIEAEK-OUAUKWLOSA-N 1 1 303.359 -1.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001322099429 916619323 /nfs/dbraw/zinc/61/93/23/916619323.db2.gz OHTJDMMGTASEQF-JGVFFNPUSA-N 1 1 309.330 -2.143 20 0 DAADMO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)CN1CCCC1 ZINC001322079388 916619384 /nfs/dbraw/zinc/61/93/84/916619384.db2.gz GHWFZAQPGMJFHE-NSHDSACASA-N 1 1 306.432 -1.274 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001322170205 916622573 /nfs/dbraw/zinc/62/25/73/916622573.db2.gz VUXPFEQPSRVORH-RKDXNWHRSA-N 1 1 313.358 -1.843 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001322179493 916622955 /nfs/dbraw/zinc/62/29/55/916622955.db2.gz XPLQRORDAXRBBW-QJPTWQEYSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001322170201 916623406 /nfs/dbraw/zinc/62/34/06/916623406.db2.gz VUXPFEQPSRVORH-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001322229628 916625235 /nfs/dbraw/zinc/62/52/35/916625235.db2.gz CUNOOHGEFLIHGQ-WPRPVWTQSA-N 1 1 321.337 -1.375 20 0 DAADMO C[C@H](C[N@@H+](C)CCc1nnn(C(C)(C)C)n1)NC(=O)C(N)=O ZINC001322238372 916626228 /nfs/dbraw/zinc/62/62/28/916626228.db2.gz UJKBPGVDUCVEAU-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001322228858 916627327 /nfs/dbraw/zinc/62/73/27/916627327.db2.gz OIYNOWKWMMKHCQ-HUBLWGQQSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195537 916627773 /nfs/dbraw/zinc/62/77/73/916627773.db2.gz HZLAJOASZMXTNB-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195537 916627782 /nfs/dbraw/zinc/62/77/82/916627782.db2.gz HZLAJOASZMXTNB-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322293005 916629008 /nfs/dbraw/zinc/62/90/08/916629008.db2.gz KHKCJLAJNMFDFD-ZJUUUORDSA-N 1 1 300.359 -1.302 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCn1cnnn1 ZINC001322267955 916629454 /nfs/dbraw/zinc/62/94/54/916629454.db2.gz AJFIUJOQLLNQJW-ZJUUUORDSA-N 1 1 323.357 -1.695 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001322262374 916631212 /nfs/dbraw/zinc/63/12/12/916631212.db2.gz OALVIALJOIYAQO-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001322262374 916631221 /nfs/dbraw/zinc/63/12/21/916631221.db2.gz OALVIALJOIYAQO-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322293004 916631276 /nfs/dbraw/zinc/63/12/76/916631276.db2.gz KHKCJLAJNMFDFD-VHSXEESVSA-N 1 1 300.359 -1.302 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC001322440512 916636363 /nfs/dbraw/zinc/63/63/63/916636363.db2.gz LWPLRFWPLZIIHB-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](COC)OC)C1 ZINC001322552386 916643260 /nfs/dbraw/zinc/64/32/60/916643260.db2.gz ZUZVCDKSTPZLBQ-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001322586250 916644588 /nfs/dbraw/zinc/64/45/88/916644588.db2.gz UIVNQCQDIQCNDJ-LLVKDONJSA-N 1 1 320.353 -1.456 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322563283 916645485 /nfs/dbraw/zinc/64/54/85/916645485.db2.gz RUNNYTITFFMDQS-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001322598086 916648655 /nfs/dbraw/zinc/64/86/55/916648655.db2.gz OVTCQZJDULGDAO-FLCAKIMKSA-N 1 1 317.411 -1.540 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC001322695269 916656249 /nfs/dbraw/zinc/65/62/49/916656249.db2.gz QUMYJZZHKHTGBV-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCN(C)C2=O)n1C ZINC001322672253 916657005 /nfs/dbraw/zinc/65/70/05/916657005.db2.gz ZKJALOCPDAJBDM-JTQLQIEISA-N 1 1 322.369 -1.551 20 0 DAADMO CN(CCOCCO)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322692817 916657080 /nfs/dbraw/zinc/65/70/80/916657080.db2.gz GKYXNOIHCSQIJZ-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCOCC(F)F ZINC001322695275 916657130 /nfs/dbraw/zinc/65/71/30/916657130.db2.gz QWNBJWJYOCCTAQ-JTQLQIEISA-N 1 1 322.356 -1.254 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001322742034 916662331 /nfs/dbraw/zinc/66/23/31/916662331.db2.gz AIFFMTXRKFUYGM-VIFPVBQESA-N 1 1 323.353 -1.993 20 0 DAADMO CCOC[C@H](O)C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC001322806844 916669078 /nfs/dbraw/zinc/66/90/78/916669078.db2.gz OOJQOVBLXRANHB-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001322834866 916671293 /nfs/dbraw/zinc/67/12/93/916671293.db2.gz BOUZLUUAIGYYJC-UHFFFAOYSA-N 1 1 314.386 -1.533 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCC(=O)OC)C1 ZINC001322871822 916673497 /nfs/dbraw/zinc/67/34/97/916673497.db2.gz HGYKZUSCANWVCI-LLVKDONJSA-N 1 1 315.370 -1.107 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001322888321 916675403 /nfs/dbraw/zinc/67/54/03/916675403.db2.gz CCVRDRAXIWVQOR-UHFFFAOYSA-N 1 1 306.388 -2.138 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322880262 916676052 /nfs/dbraw/zinc/67/60/52/916676052.db2.gz PMAJWCQMECOVNL-WSVYEEACSA-N 1 1 318.443 -1.767 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC001322940030 916678905 /nfs/dbraw/zinc/67/89/05/916678905.db2.gz IRCMJTFCGJIXJI-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)n1 ZINC001322947662 916681284 /nfs/dbraw/zinc/68/12/84/916681284.db2.gz BZQHYTAFARXKDI-UHFFFAOYSA-N 1 1 312.399 -1.404 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@@H]1C ZINC001322942780 916681839 /nfs/dbraw/zinc/68/18/39/916681839.db2.gz XFBPWJZFJNFZCF-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@@H]1C ZINC001322942780 916681847 /nfs/dbraw/zinc/68/18/47/916681847.db2.gz XFBPWJZFJNFZCF-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCNC1=O ZINC001322962294 916682116 /nfs/dbraw/zinc/68/21/16/916682116.db2.gz NLDFNLHRUDUWEU-MNOVXSKESA-N 1 1 311.386 -2.305 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1nnn(C)n1 ZINC001322942252 916682258 /nfs/dbraw/zinc/68/22/58/916682258.db2.gz UDVJFXJEKJQWSA-PSASIEDQSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001322955639 916682374 /nfs/dbraw/zinc/68/23/74/916682374.db2.gz NZEIZRQKDDYZMC-NXEZZACHSA-N 1 1 323.357 -2.194 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001323140967 916694209 /nfs/dbraw/zinc/69/42/09/916694209.db2.gz NEUVULSILKDKEF-DOMZBBRYSA-N 1 1 313.398 -1.088 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1nnn(C)n1 ZINC001323172907 916695812 /nfs/dbraw/zinc/69/58/12/916695812.db2.gz RRTVRSRMOGAHHL-UHFFFAOYSA-N 1 1 306.330 -1.462 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CCOCC1 ZINC001323193289 916698152 /nfs/dbraw/zinc/69/81/52/916698152.db2.gz HOFBUAUZAQLKQP-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001323226703 916701211 /nfs/dbraw/zinc/70/12/11/916701211.db2.gz PGENPRSQMCMJAS-SECBINFHSA-N 1 1 322.329 -2.585 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001323226703 916701225 /nfs/dbraw/zinc/70/12/25/916701225.db2.gz PGENPRSQMCMJAS-SECBINFHSA-N 1 1 322.329 -2.585 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1nnn(C)n1 ZINC001323229967 916701666 /nfs/dbraw/zinc/70/16/66/916701666.db2.gz LZWKUYOMUXJKRA-UHFFFAOYSA-N 1 1 313.362 -2.089 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001323243985 916703305 /nfs/dbraw/zinc/70/33/05/916703305.db2.gz AHWLGOPKWDBDNE-RISCZKNCSA-N 1 1 317.361 -1.244 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001323316945 916710882 /nfs/dbraw/zinc/71/08/82/916710882.db2.gz BXGCMHVLLIHWCA-QWRGUYRKSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)CC1 ZINC001323381627 916716676 /nfs/dbraw/zinc/71/66/76/916716676.db2.gz AKZYFXOYQWCUIE-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001323370954 916716723 /nfs/dbraw/zinc/71/67/23/916716723.db2.gz IJQBOAFWZUVOBH-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001323370954 916716734 /nfs/dbraw/zinc/71/67/34/916716734.db2.gz IJQBOAFWZUVOBH-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001323370403 916717850 /nfs/dbraw/zinc/71/78/50/916717850.db2.gz GMNZXIBFOZGWLQ-WDEREUQCSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001323370403 916717866 /nfs/dbraw/zinc/71/78/66/916717866.db2.gz GMNZXIBFOZGWLQ-WDEREUQCSA-N 1 1 320.353 -1.479 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC001323355398 916718464 /nfs/dbraw/zinc/71/84/64/916718464.db2.gz OALLCKRJRWNSRC-AAEUAGOBSA-N 1 1 322.413 -1.041 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001323370391 916718568 /nfs/dbraw/zinc/71/85/68/916718568.db2.gz GMNZXIBFOZGWLQ-GHMZBOCLSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001323370391 916718583 /nfs/dbraw/zinc/71/85/83/916718583.db2.gz GMNZXIBFOZGWLQ-GHMZBOCLSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001323423384 916720040 /nfs/dbraw/zinc/72/00/40/916720040.db2.gz RBQPEJNJUGZBDC-VIFPVBQESA-N 1 1 320.353 -1.219 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC001323423798 916721284 /nfs/dbraw/zinc/72/12/84/916721284.db2.gz AVQLVZPVQSRXIW-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001323423798 916721293 /nfs/dbraw/zinc/72/12/93/916721293.db2.gz AVQLVZPVQSRXIW-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CCOCC1)C1CC1 ZINC001323499580 916726781 /nfs/dbraw/zinc/72/67/81/916726781.db2.gz BMFHDQWRSCVYKH-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO CN(C(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1)c1nccs1 ZINC001323529614 916729467 /nfs/dbraw/zinc/72/94/67/916729467.db2.gz CMKQBZBFQBXMMX-UHFFFAOYSA-N 1 1 311.367 -1.170 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)C(N)=O)CC1)C(=O)Nc1ncccn1 ZINC001323530008 916729682 /nfs/dbraw/zinc/72/96/82/916729682.db2.gz HCQAMTAHIJCJQI-QMMMGPOBSA-N 1 1 306.326 -1.473 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001323609850 916735795 /nfs/dbraw/zinc/73/57/95/916735795.db2.gz SOZNEQFZOWDTGI-SECBINFHSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001323684003 916742348 /nfs/dbraw/zinc/74/23/48/916742348.db2.gz KSQXXKXDHPWLMZ-SNVBAGLBSA-N 1 1 309.374 -1.374 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCc1nc(C)no1 ZINC001323736697 916746675 /nfs/dbraw/zinc/74/66/75/916746675.db2.gz UITKHPYJHBYZEQ-UHFFFAOYSA-N 1 1 313.358 -1.269 20 0 DAADMO CCNC(=O)C[N@@H+](CCOC)C1CCN(C(=O)C(N)=O)CC1 ZINC001323748187 916747604 /nfs/dbraw/zinc/74/76/04/916747604.db2.gz FLSFEGOKLZWADA-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323811118 916750491 /nfs/dbraw/zinc/75/04/91/916750491.db2.gz ANNIGGSBJINMFD-ZDUSSCGKSA-N 1 1 311.342 -2.019 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323811118 916750500 /nfs/dbraw/zinc/75/05/00/916750500.db2.gz ANNIGGSBJINMFD-ZDUSSCGKSA-N 1 1 311.342 -2.019 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001323864857 916753358 /nfs/dbraw/zinc/75/33/58/916753358.db2.gz ZVRBURJHRVNYDQ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323864857 916753369 /nfs/dbraw/zinc/75/33/69/916753369.db2.gz ZVRBURJHRVNYDQ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001323864854 916753437 /nfs/dbraw/zinc/75/34/37/916753437.db2.gz ZVRBURJHRVNYDQ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323864854 916753451 /nfs/dbraw/zinc/75/34/51/916753451.db2.gz ZVRBURJHRVNYDQ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859948 916753783 /nfs/dbraw/zinc/75/37/83/916753783.db2.gz MDLNSWJPBBUACQ-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CN(C(=O)C(C)(C)C(N)=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001323945805 916759935 /nfs/dbraw/zinc/75/99/35/916759935.db2.gz IFUDQRHXDCGALE-GFCCVEGCSA-N 1 1 323.397 -1.102 20 0 DAADMO CN(C(=O)CCCN1C(=O)CNC1=O)C1C[NH+](CCCO)C1 ZINC001324016579 916762002 /nfs/dbraw/zinc/76/20/02/916762002.db2.gz CGVLKNUUVQGWHD-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ncnn2C)C1 ZINC001324077090 916765135 /nfs/dbraw/zinc/76/51/35/916765135.db2.gz DSDJXHSECYNSOJ-QWRGUYRKSA-N 1 1 324.385 -1.171 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ncnn2C)C1 ZINC001324077086 916765333 /nfs/dbraw/zinc/76/53/33/916765333.db2.gz DSDJXHSECYNSOJ-GHMZBOCLSA-N 1 1 324.385 -1.171 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001324280091 916771424 /nfs/dbraw/zinc/77/14/24/916771424.db2.gz KSQGPVASFFBJLU-WDEREUQCSA-N 1 1 323.353 -1.543 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCn2cncn2)n1C ZINC001324361263 916776598 /nfs/dbraw/zinc/77/65/98/916776598.db2.gz BDGRYXNOIOEYRE-UHFFFAOYSA-N 1 1 320.357 -1.490 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCn1cncn1 ZINC001324363620 916777057 /nfs/dbraw/zinc/77/70/57/916777057.db2.gz WOZPFMOPHSGBQE-UHFFFAOYSA-N 1 1 310.358 -1.767 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001324462483 916783582 /nfs/dbraw/zinc/78/35/82/916783582.db2.gz YITZEEQYDVDYEG-JFGNBEQYSA-N 1 1 308.382 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC(=O)N2CCOCC2)C1 ZINC001324522969 916785883 /nfs/dbraw/zinc/78/58/83/916785883.db2.gz URCAOCRKKXYHAI-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)nn1 ZINC001324566512 916788916 /nfs/dbraw/zinc/78/89/16/916788916.db2.gz QKEIICIPNYFCDK-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO CCOCC[C@@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001324694396 916794135 /nfs/dbraw/zinc/79/41/35/916794135.db2.gz CSCNMRIYYVXJQO-GFCCVEGCSA-N 1 1 309.432 -1.320 20 0 DAADMO CCOCC[C@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001324694397 916795604 /nfs/dbraw/zinc/79/56/04/916795604.db2.gz CSCNMRIYYVXJQO-LBPRGKRZSA-N 1 1 309.432 -1.320 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001324746167 916798262 /nfs/dbraw/zinc/79/82/62/916798262.db2.gz NQEKJCKEFAQJRI-RYUDHWBXSA-N 1 1 315.370 -1.116 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001324845050 916799132 /nfs/dbraw/zinc/79/91/32/916799132.db2.gz HTISAUAMYMTCDW-IUCAKERBSA-N 1 1 311.346 -2.338 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324845050 916799143 /nfs/dbraw/zinc/79/91/43/916799143.db2.gz HTISAUAMYMTCDW-IUCAKERBSA-N 1 1 311.346 -2.338 20 0 DAADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001324969698 916804173 /nfs/dbraw/zinc/80/41/73/916804173.db2.gz UJKVNLUILIHQIN-ONGXEEELSA-N 1 1 320.353 -1.531 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ncn(C)n1 ZINC001324968850 916805161 /nfs/dbraw/zinc/80/51/61/916805161.db2.gz MWVZYZHNGLSGNL-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO CN(CCCNC(=O)C(=O)Nc1ncn(C)n1)CC[NH+](C)C ZINC001324968850 916805170 /nfs/dbraw/zinc/80/51/70/916805170.db2.gz MWVZYZHNGLSGNL-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001325056427 916808897 /nfs/dbraw/zinc/80/88/97/916808897.db2.gz ZPGGNIKZZUFAAB-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001325081341 916811844 /nfs/dbraw/zinc/81/18/44/916811844.db2.gz HNZZXFYHSVGJFA-RISCZKNCSA-N 1 1 317.386 -1.927 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070920 916812762 /nfs/dbraw/zinc/81/27/62/916812762.db2.gz STKMYMUTYWRPCB-HZMBPMFUSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070920 916812783 /nfs/dbraw/zinc/81/27/83/916812783.db2.gz STKMYMUTYWRPCB-HZMBPMFUSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070922 916813351 /nfs/dbraw/zinc/81/33/51/916813351.db2.gz STKMYMUTYWRPCB-QMTHXVAHSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070922 916813367 /nfs/dbraw/zinc/81/33/67/916813367.db2.gz STKMYMUTYWRPCB-QMTHXVAHSA-N 1 1 322.321 -1.354 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001325126804 916817306 /nfs/dbraw/zinc/81/73/06/916817306.db2.gz QZOZYLWKPSKNSH-CQSZACIVSA-N 1 1 309.370 -1.462 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001325125707 916818021 /nfs/dbraw/zinc/81/80/21/916818021.db2.gz HRFRSQRFXNHVPP-DOMZBBRYSA-N 1 1 313.398 -1.034 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001325116124 916818867 /nfs/dbraw/zinc/81/88/67/916818867.db2.gz ZOLRUIMSRXKMEI-XHDPSFHLSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001325116124 916818880 /nfs/dbraw/zinc/81/88/80/916818880.db2.gz ZOLRUIMSRXKMEI-XHDPSFHLSA-N 1 1 324.381 -2.092 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001325159631 916825681 /nfs/dbraw/zinc/82/56/81/916825681.db2.gz HKSWEMVBFOPFIY-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)C(=O)N(C)C ZINC001325158168 916826881 /nfs/dbraw/zinc/82/68/81/916826881.db2.gz HCIUZUUGRAHJFK-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC2(O)C[NH+](CC3CC3)C2)C1=O ZINC001325284757 916838271 /nfs/dbraw/zinc/83/82/71/916838271.db2.gz HRARFQMGYYRRPQ-UHFFFAOYSA-N 1 1 324.337 -2.020 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001325311496 916841829 /nfs/dbraw/zinc/84/18/29/916841829.db2.gz IKOSKBKAYXQGFD-UHFFFAOYSA-N 1 1 310.354 -1.499 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001325328349 916842883 /nfs/dbraw/zinc/84/28/83/916842883.db2.gz NWYDKKJVFUIOSK-UHFFFAOYSA-N 1 1 321.399 -2.014 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001325520684 916848688 /nfs/dbraw/zinc/84/86/88/916848688.db2.gz CZCWSWJDWQKKQO-WDNDVIMCSA-N 1 1 324.425 -1.110 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001325558302 916853310 /nfs/dbraw/zinc/85/33/10/916853310.db2.gz GPQUACOMYGQDHN-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)CCCO)CN1CC[NH+](C)CC1 ZINC001325695604 916858854 /nfs/dbraw/zinc/85/88/54/916858854.db2.gz LHTWYPUFSZDTCI-ZDUSSCGKSA-N 1 1 314.430 -1.173 20 0 DAADMO Cc1ccnc(CNC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001325805183 916861527 /nfs/dbraw/zinc/86/15/27/916861527.db2.gz DOJZDILGTISQBY-UHFFFAOYSA-N 1 1 320.397 -1.059 20 0 DAADMO C[C@H](NC1CC[NH+](CCNC(=O)C(N)=O)CC1)c1nnnn1C ZINC001325805541 916862665 /nfs/dbraw/zinc/86/26/65/916862665.db2.gz IBEIDTSTOOXWSR-VIFPVBQESA-N 1 1 324.389 -2.073 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001325763321 916863371 /nfs/dbraw/zinc/86/33/71/916863371.db2.gz SLKOBHZYOCSLAY-TUAOUCFPSA-N 1 1 311.382 -1.351 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001325862257 916869167 /nfs/dbraw/zinc/86/91/67/916869167.db2.gz YANAJBLQBDTSRT-OAHLLOKOSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCCNC1=O ZINC001325849280 916871105 /nfs/dbraw/zinc/87/11/05/916871105.db2.gz CRBHRWWGAIFXDI-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@H]2COCCO2)[nH]1 ZINC001325981108 916875744 /nfs/dbraw/zinc/87/57/44/916875744.db2.gz UYIFOUXJKYNFHR-LLVKDONJSA-N 1 1 313.358 -1.561 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2cnns2)nn1 ZINC001325984453 916876048 /nfs/dbraw/zinc/87/60/48/916876048.db2.gz QKBCQRGCOUZCOK-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO O=C(c1ccn[nH]1)N(CCO)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001325984201 916876762 /nfs/dbraw/zinc/87/67/62/916876762.db2.gz OSTFGFCNVBHODW-VIFPVBQESA-N 1 1 309.326 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N(CCO)CC[NH2+]Cc1nccn1C ZINC001325980358 916877059 /nfs/dbraw/zinc/87/70/59/916877059.db2.gz NWNHYYMWCRHQPS-UHFFFAOYSA-N 1 1 311.386 -1.191 20 0 DAADMO Cc1ncoc1C[NH2+]CCN(CCO)C(=O)CS(C)(=O)=O ZINC001325984103 916877399 /nfs/dbraw/zinc/87/73/99/916877399.db2.gz NTNUBCHMDCASCW-UHFFFAOYSA-N 1 1 319.383 -1.062 20 0 DAADMO Cn1nnnc1CNCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325989388 916879273 /nfs/dbraw/zinc/87/92/73/916879273.db2.gz MCNQXCIIGDBNFI-NSHDSACASA-N 1 1 311.390 -1.785 20 0 DAADMO CC(=O)N1CC(C(=O)N(CCO)CC[NH2+]Cc2cn(C)nn2)C1 ZINC001326012021 916884281 /nfs/dbraw/zinc/88/42/81/916884281.db2.gz IWLGMMWMAGVHJX-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCCO1 ZINC001326009125 916885576 /nfs/dbraw/zinc/88/55/76/916885576.db2.gz LGLCXAMTOBAYFE-NSHDSACASA-N 1 1 312.374 -1.310 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001326057751 916887016 /nfs/dbraw/zinc/88/70/16/916887016.db2.gz LUYSRUUEBOBMCV-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN1C ZINC001326075130 916892484 /nfs/dbraw/zinc/89/24/84/916892484.db2.gz YFKARHLIQLHYCP-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO CCn1cc(C(=O)N(CCO)CC[NH2+]Cc2cn(C)nn2)nn1 ZINC001326118693 916899734 /nfs/dbraw/zinc/89/97/34/916899734.db2.gz CJRPQMBDTYMVFA-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001326134478 916902722 /nfs/dbraw/zinc/90/27/22/916902722.db2.gz FYWMDYPURCFOAV-JTQLQIEISA-N 1 1 310.358 -1.996 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)CC1 ZINC001326236306 916907657 /nfs/dbraw/zinc/90/76/57/916907657.db2.gz HDOCJYMPYCANMJ-GJZGRUSLSA-N 1 1 316.446 -2.123 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)CC1 ZINC001326236308 916908107 /nfs/dbraw/zinc/90/81/07/916908107.db2.gz HDOCJYMPYCANMJ-LSDHHAIUSA-N 1 1 316.446 -2.123 20 0 DAADMO C[C@]1(CCCC(=O)N2CC[NH+](CCO)CC2)NC(=O)NC1=O ZINC001326425672 916919976 /nfs/dbraw/zinc/91/99/76/916919976.db2.gz GQUJJXFDNYFUBX-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cncn1)[C@H]1C[N@H+](C)CCO1 ZINC001326449505 916921624 /nfs/dbraw/zinc/92/16/24/916921624.db2.gz NWGAKVGAMCXSMN-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cncn1)[C@H]1C[N@@H+](C)CCO1 ZINC001326449505 916921638 /nfs/dbraw/zinc/92/16/38/916921638.db2.gz NWGAKVGAMCXSMN-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001326504859 916927245 /nfs/dbraw/zinc/92/72/45/916927245.db2.gz FAGIOGRUGHMBSU-UHFFFAOYSA-N 1 1 318.443 -1.049 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001326504859 916927255 /nfs/dbraw/zinc/92/72/55/916927255.db2.gz FAGIOGRUGHMBSU-UHFFFAOYSA-N 1 1 318.443 -1.049 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001326504859 916927259 /nfs/dbraw/zinc/92/72/59/916927259.db2.gz FAGIOGRUGHMBSU-UHFFFAOYSA-N 1 1 318.443 -1.049 20 0 DAADMO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001326533029 916928499 /nfs/dbraw/zinc/92/84/99/916928499.db2.gz MVPMWHCTWXTZNE-WUHRBBMRSA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326732864 916953031 /nfs/dbraw/zinc/95/30/31/916953031.db2.gz PUKZPPWKTUVPJY-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO COc1cncc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001326776327 916953782 /nfs/dbraw/zinc/95/37/82/916953782.db2.gz XSHGWVXWVFITKF-ZDUSSCGKSA-N 1 1 309.326 -1.394 20 0 DAADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2nnn(C)n2)CC[N@H+]1C ZINC001326787847 916953936 /nfs/dbraw/zinc/95/39/36/916953936.db2.gz BRIPQDIZAYZRRA-NXEZZACHSA-N 1 1 309.374 -1.233 20 0 DAADMO COCCCS(=O)(=O)NCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC001326770595 916955652 /nfs/dbraw/zinc/95/56/52/916955652.db2.gz ZOJUAGCUZXHHAF-LLVKDONJSA-N 1 1 309.388 -1.824 20 0 DAADMO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326844130 916960711 /nfs/dbraw/zinc/96/07/11/916960711.db2.gz FLPMLWOSJWHGRI-RWMBFGLXSA-N 1 1 310.398 -1.478 20 0 DAADMO CC[C@]1(O)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001326824230 916961882 /nfs/dbraw/zinc/96/18/82/916961882.db2.gz RJXNQBIFRPLTKG-ZOWXZIJZSA-N 1 1 311.382 -1.363 20 0 DAADMO O=C(C(=O)N1CCC[C@H](CO)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326847564 916962256 /nfs/dbraw/zinc/96/22/56/916962256.db2.gz SHYNILCKJMXFTB-RWMBFGLXSA-N 1 1 311.382 -1.505 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ncn(C)n1 ZINC001326927511 916972082 /nfs/dbraw/zinc/97/20/82/916972082.db2.gz WHFIAKKWJOTRCC-OUAUKWLOSA-N 1 1 322.369 -1.730 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001327055839 916986849 /nfs/dbraw/zinc/98/68/49/916986849.db2.gz OHIPRLMNBHZZGP-CYBMUJFWSA-N 1 1 313.446 -1.016 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1(C)C ZINC001327050489 916986978 /nfs/dbraw/zinc/98/69/78/916986978.db2.gz YBEABYQJRRZKMD-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCC[N@@H+](C)CCN1C(=O)CCC1=O)C(=O)CC(N)=O ZINC001327187710 916991708 /nfs/dbraw/zinc/99/17/08/916991708.db2.gz HYDJYLVGDXDBCP-UHFFFAOYSA-N 1 1 312.370 -1.209 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC(F)F)CC1 ZINC001327128311 916993599 /nfs/dbraw/zinc/99/35/99/916993599.db2.gz AKJUOMLDZNVPDU-MRVPVSSYSA-N 1 1 306.313 -1.176 20 0 DAADMO COC(=O)[C@@H]1CNCCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001327120250 916993670 /nfs/dbraw/zinc/99/36/70/916993670.db2.gz DEXGGCFWXCFFRO-LBPRGKRZSA-N 1 1 324.385 -1.006 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001327231072 916995540 /nfs/dbraw/zinc/99/55/40/916995540.db2.gz KFYLCDLVEOJAIH-CYBMUJFWSA-N 1 1 322.413 -1.260 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1ncnn1 ZINC001327212078 916995603 /nfs/dbraw/zinc/99/56/03/916995603.db2.gz AYBGVWMZBWZSOP-SNVBAGLBSA-N 1 1 323.357 -1.741 20 0 DAADMO CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327234036 916995688 /nfs/dbraw/zinc/99/56/88/916995688.db2.gz HMANKLFVMMMSMK-WUHRBBMRSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001327212865 916995872 /nfs/dbraw/zinc/99/58/72/916995872.db2.gz JXXZCAQBAANKAH-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001327252666 916997325 /nfs/dbraw/zinc/99/73/25/916997325.db2.gz UFRXPSAIJZLNEU-UHFFFAOYSA-N 1 1 308.404 -1.809 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCNC1=O ZINC001327244754 916998592 /nfs/dbraw/zinc/99/85/92/916998592.db2.gz BECVNZHTOMMKNU-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001327299119 917001024 /nfs/dbraw/zinc/00/10/24/917001024.db2.gz KYVZLXWMKHSNNE-UWVGGRQHSA-N 1 1 312.370 -1.307 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CC(N)=O)O2 ZINC001327350578 917005330 /nfs/dbraw/zinc/00/53/30/917005330.db2.gz UNSVURNQUBASGT-GHMZBOCLSA-N 1 1 315.370 -1.781 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C(N)=O)O2 ZINC001327363332 917007047 /nfs/dbraw/zinc/00/70/47/917007047.db2.gz FMRUKLGZTZTUAB-NXEZZACHSA-N 1 1 301.343 -2.171 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC001327532268 917021768 /nfs/dbraw/zinc/02/17/68/917021768.db2.gz KSPCQNBNXPGZTJ-GARJFASQSA-N 1 1 317.411 -1.111 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001327623173 917031221 /nfs/dbraw/zinc/03/12/21/917031221.db2.gz YIGZSZRYTAAMQT-DOMZBBRYSA-N 1 1 313.398 -1.088 20 0 DAADMO COc1nccc(C[NH2+][C@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 ZINC001327593695 917032484 /nfs/dbraw/zinc/03/24/84/917032484.db2.gz ZEFOJVZPTMZMTO-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO CCn1cc(C[NH2+]CC2(NC(=O)C(N)=O)CCOCC2)nn1 ZINC001327656982 917034735 /nfs/dbraw/zinc/03/47/35/917034735.db2.gz UDLCQKDQYQWWFL-UHFFFAOYSA-N 1 1 310.358 -1.462 20 0 DAADMO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327708555 917036233 /nfs/dbraw/zinc/03/62/33/917036233.db2.gz YSOXHUJVEAGNCV-MROQNXINSA-N 1 1 310.398 -1.541 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)c1cnn(C[C@@H](O)CO)c1 ZINC001327717702 917036567 /nfs/dbraw/zinc/03/65/67/917036567.db2.gz AIAHPCOCPMOFDH-CYBMUJFWSA-N 1 1 312.370 -1.312 20 0 DAADMO O=C(NCc1cccnn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327744757 917038990 /nfs/dbraw/zinc/03/89/90/917038990.db2.gz WYGSVIDKVMCUDB-NWDGAFQWSA-N 1 1 305.338 -1.630 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC001327739335 917040362 /nfs/dbraw/zinc/04/03/62/917040362.db2.gz BZDUNFNVDUUGBD-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(NCCOCC(F)F)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327754882 917042582 /nfs/dbraw/zinc/04/25/82/917042582.db2.gz VVXZJOSBURJIDX-VHSXEESVSA-N 1 1 321.324 -1.338 20 0 DAADMO Cn1cnn(CCC(=O)NCCC[NH+]2CCN(C)CC2)c1=O ZINC001327803440 917042895 /nfs/dbraw/zinc/04/28/95/917042895.db2.gz ZUQXDNUZAHUNKG-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC001327828066 917045726 /nfs/dbraw/zinc/04/57/26/917045726.db2.gz UFUHYXWZMRZADH-MNOVXSKESA-N 1 1 322.369 -1.189 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001327918533 917050663 /nfs/dbraw/zinc/05/06/63/917050663.db2.gz SDDZXKPFXKOPTB-ZJUUUORDSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001327918529 917050759 /nfs/dbraw/zinc/05/07/59/917050759.db2.gz SDDZXKPFXKOPTB-UWVGGRQHSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001327918531 917050880 /nfs/dbraw/zinc/05/08/80/917050880.db2.gz SDDZXKPFXKOPTB-VHSXEESVSA-N 1 1 309.370 -1.392 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)on1 ZINC001327936413 917053467 /nfs/dbraw/zinc/05/34/67/917053467.db2.gz KVBIRZBANIOQFL-NSHDSACASA-N 1 1 309.370 -1.039 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CCNC1=O ZINC001328004100 917056416 /nfs/dbraw/zinc/05/64/16/917056416.db2.gz PDNVGVJJOCCDIU-AXFHLTTASA-N 1 1 310.354 -2.030 20 0 DAADMO CCN(C(=O)C(=O)NCc1nnn(C)n1)[C@H]1CC[N@@H+](CC)C1 ZINC001328010308 917057467 /nfs/dbraw/zinc/05/74/67/917057467.db2.gz VRVXFLAVHDJTEU-JTQLQIEISA-N 1 1 309.374 -1.231 20 0 DAADMO Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)C(N)=O)CC2)s1 ZINC001328198602 917067661 /nfs/dbraw/zinc/06/76/61/917067661.db2.gz LSFKYXNLOGEMPI-UHFFFAOYSA-N 1 1 313.383 -1.225 20 0 DAADMO CCO[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001328227964 917070986 /nfs/dbraw/zinc/07/09/86/917070986.db2.gz HMANKLFVMMMSMK-RVMXOQNASA-N 1 1 311.382 -1.053 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC001328266323 917072551 /nfs/dbraw/zinc/07/25/51/917072551.db2.gz IMAIEFRCNOJSTN-PWSUYJOCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@H](C)C1 ZINC001328359170 917082387 /nfs/dbraw/zinc/08/23/87/917082387.db2.gz VHNHTIIORBYZQV-OUAUKWLOSA-N 1 1 312.370 -1.112 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001328465821 917090472 /nfs/dbraw/zinc/09/04/72/917090472.db2.gz PQZKLXDUMSNSNA-CYBMUJFWSA-N 1 1 314.411 -1.334 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001328454319 917090549 /nfs/dbraw/zinc/09/05/49/917090549.db2.gz GDNMNZIOPWEMDU-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO CCNC(=O)CC(=O)NC1(CO)CC[NH+](CC(=O)NC)CC1 ZINC001328520938 917092016 /nfs/dbraw/zinc/09/20/16/917092016.db2.gz ZVCRFSJDUZCSDS-UHFFFAOYSA-N 1 1 314.386 -1.798 20 0 DAADMO C[NH+](C)CCN(C(=O)C[C@@H]1CC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC001328529959 917092871 /nfs/dbraw/zinc/09/28/71/917092871.db2.gz JANPWFRLDRIPKP-WDEREUQCSA-N 1 1 317.411 -1.158 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC001328584377 917095269 /nfs/dbraw/zinc/09/52/69/917095269.db2.gz RPHBOWAMJMAVBY-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C1 ZINC001328584383 917096078 /nfs/dbraw/zinc/09/60/78/917096078.db2.gz RPHBOWAMJMAVBY-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C)no2)C1 ZINC001328661830 917101269 /nfs/dbraw/zinc/10/12/69/917101269.db2.gz JZGRFTGZHJNVQK-SNVBAGLBSA-N 1 1 311.342 -1.169 20 0 DAADMO COC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001328816513 917111183 /nfs/dbraw/zinc/11/11/83/917111183.db2.gz NTNMLQVEAWQLME-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C)(O)CC1 ZINC001328815133 917112342 /nfs/dbraw/zinc/11/23/42/917112342.db2.gz DFWOFQUUULAFND-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO COCCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001328814656 917112570 /nfs/dbraw/zinc/11/25/70/917112570.db2.gz ACBDGPXBFFTKKU-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001328815565 917112709 /nfs/dbraw/zinc/11/27/09/917112709.db2.gz HCIHVLAWEUHPPM-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001328854301 917117452 /nfs/dbraw/zinc/11/74/52/917117452.db2.gz IJCWRSYEWZPMFQ-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001328982090 917127114 /nfs/dbraw/zinc/12/71/14/917127114.db2.gz SHHLDVUTRUAOAP-BDAKNGLRSA-N 1 1 307.372 -2.360 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999779 917131234 /nfs/dbraw/zinc/13/12/34/917131234.db2.gz OHEJMDGIJXLXOZ-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999779 917131244 /nfs/dbraw/zinc/13/12/44/917131244.db2.gz OHEJMDGIJXLXOZ-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999779 917131251 /nfs/dbraw/zinc/13/12/51/917131251.db2.gz OHEJMDGIJXLXOZ-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114848 917142394 /nfs/dbraw/zinc/14/23/94/917142394.db2.gz JVMMZIYUYQPWOB-SDDRHHMPSA-N 1 1 312.370 -2.632 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329114848 917142404 /nfs/dbraw/zinc/14/24/04/917142404.db2.gz JVMMZIYUYQPWOB-SDDRHHMPSA-N 1 1 312.370 -2.632 20 0 DAADMO C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001329135381 917144101 /nfs/dbraw/zinc/14/41/01/917144101.db2.gz RKDAPSURBKHXMU-CABCVRRESA-N 1 1 300.447 -1.095 20 0 DAADMO Cn1cc(/C=C/C(=O)NCC[N@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC001329164337 917147110 /nfs/dbraw/zinc/14/71/10/917147110.db2.gz AESKVVQDSOEMKW-PCAWENJQSA-N 1 1 322.365 -1.720 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001329377143 917163669 /nfs/dbraw/zinc/16/36/69/917163669.db2.gz UVOFPOVVPAYASG-SNVBAGLBSA-N 1 1 323.357 -1.741 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329423986 917163993 /nfs/dbraw/zinc/16/39/93/917163993.db2.gz ABPIIWVFBLUWAJ-ZYHUDNBSSA-N 1 1 314.386 -1.008 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001329370078 917164062 /nfs/dbraw/zinc/16/40/62/917164062.db2.gz FZWXBUBVIFAYHT-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329433887 917166351 /nfs/dbraw/zinc/16/63/51/917166351.db2.gz YWHWDBAXPUXJAR-WPRPVWTQSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329433883 917166459 /nfs/dbraw/zinc/16/64/59/917166459.db2.gz YWHWDBAXPUXJAR-SCZZXKLOSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001329486566 917172161 /nfs/dbraw/zinc/17/21/61/917172161.db2.gz NZWDCBXHPYALGU-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001329472084 917172954 /nfs/dbraw/zinc/17/29/54/917172954.db2.gz XPRKPARGDATUDV-ZJUUUORDSA-N 1 1 319.383 -2.264 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)[C@@H]1CCNC1=O ZINC001329475873 917173828 /nfs/dbraw/zinc/17/38/28/917173828.db2.gz WVHZQMFTWLPHES-JGVFFNPUSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)[C@@H]1CCNC1=O ZINC001329475873 917173836 /nfs/dbraw/zinc/17/38/36/917173836.db2.gz WVHZQMFTWLPHES-JGVFFNPUSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)[C@H]1CCNC1=O ZINC001329475876 917173933 /nfs/dbraw/zinc/17/39/33/917173933.db2.gz WVHZQMFTWLPHES-YUMQZZPRSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)[C@H]1CCNC1=O ZINC001329475876 917173942 /nfs/dbraw/zinc/17/39/42/917173942.db2.gz WVHZQMFTWLPHES-YUMQZZPRSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529425 917178684 /nfs/dbraw/zinc/17/86/84/917178684.db2.gz ADLGUUCCLQSWLZ-YUMQZZPRSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529425 917178693 /nfs/dbraw/zinc/17/86/93/917178693.db2.gz ADLGUUCCLQSWLZ-YUMQZZPRSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529415 917179000 /nfs/dbraw/zinc/17/90/00/917179000.db2.gz ADLGUUCCLQSWLZ-HTQZYQBOSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001329529415 917179011 /nfs/dbraw/zinc/17/90/11/917179011.db2.gz ADLGUUCCLQSWLZ-HTQZYQBOSA-N 1 1 313.358 -1.715 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605966 917182126 /nfs/dbraw/zinc/18/21/26/917182126.db2.gz BDWCRIITGZAPIQ-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[N@H+](C)Cc1cncn1C ZINC001329607051 917182272 /nfs/dbraw/zinc/18/22/72/917182272.db2.gz GWVBJCTXISQYCU-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[N@@H+](C)Cc1cncn1C ZINC001329607051 917182276 /nfs/dbraw/zinc/18/22/76/917182276.db2.gz GWVBJCTXISQYCU-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC1CC1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329588225 917182373 /nfs/dbraw/zinc/18/23/73/917182373.db2.gz MJMAXTFOBWTAOV-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC1CC1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329588225 917182380 /nfs/dbraw/zinc/18/23/80/917182380.db2.gz MJMAXTFOBWTAOV-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO O=C(C(=O)N1CCCNC(=O)C1)N1CC[NH+](CC2CC2)CC1 ZINC001329738073 917194355 /nfs/dbraw/zinc/19/43/55/917194355.db2.gz GHSAGOQZEPSLRK-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329949788 917213775 /nfs/dbraw/zinc/21/37/75/917213775.db2.gz GVVOMXFTVILTLA-SDDRHHMPSA-N 1 1 324.381 -2.047 20 0 DAADMO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329949787 917215389 /nfs/dbraw/zinc/21/53/89/917215389.db2.gz GVVOMXFTVILTLA-GRYCIOLGSA-N 1 1 324.381 -2.047 20 0 DAADMO NC(=O)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329973035 917217814 /nfs/dbraw/zinc/21/78/14/917217814.db2.gz VNGRCORRXUHXBO-SDDRHHMPSA-N 1 1 324.381 -2.012 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001330045382 917222689 /nfs/dbraw/zinc/22/26/89/917222689.db2.gz BVBGCMKZLDZOIO-MWLCHTKSSA-N 1 1 308.382 -1.033 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CC([C@@H](C)NC(=O)C(N)=O)C1 ZINC001330045727 917224158 /nfs/dbraw/zinc/22/41/58/917224158.db2.gz DOWGUXHZCCFIQN-MRVPVSSYSA-N 1 1 306.388 -2.153 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCNC(=O)C1 ZINC001330063784 917225166 /nfs/dbraw/zinc/22/51/66/917225166.db2.gz DKMDNUXXCFHEKF-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001330074115 917225708 /nfs/dbraw/zinc/22/57/08/917225708.db2.gz KLXACDUDIQSVEA-UWVGGRQHSA-N 1 1 324.381 -1.294 20 0 DAADMO Cn1cc(/C=C\C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(=O)n(C)c1=O ZINC001330148725 917231516 /nfs/dbraw/zinc/23/15/16/917231516.db2.gz AESKVVQDSOEMKW-VSQXVHSFSA-N 1 1 322.365 -1.720 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCNC(=O)C2)n1C ZINC001330181608 917231786 /nfs/dbraw/zinc/23/17/86/917231786.db2.gz YIMHPYAOLORHTB-UHFFFAOYSA-N 1 1 322.369 -1.549 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)C[N@H+](CCOCCO)CCO2 ZINC001330160547 917232111 /nfs/dbraw/zinc/23/21/11/917232111.db2.gz PTQIDESVIBTASU-CYBMUJFWSA-N 1 1 301.343 -2.216 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)C[N@@H+](CCOCCO)CCO2 ZINC001330160547 917232122 /nfs/dbraw/zinc/23/21/22/917232122.db2.gz PTQIDESVIBTASU-CYBMUJFWSA-N 1 1 301.343 -2.216 20 0 DAADMO CC1(C)C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCNC(N)=O ZINC001330242249 917235358 /nfs/dbraw/zinc/23/53/58/917235358.db2.gz ABEOVIZKQFJLCV-LLVKDONJSA-N 1 1 316.402 -1.120 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)S(C)(=O)=O ZINC001330202691 917235538 /nfs/dbraw/zinc/23/55/38/917235538.db2.gz OPPYHFIHXYKTRZ-GDNZZTSVSA-N 1 1 319.427 -1.446 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC001330271090 917237647 /nfs/dbraw/zinc/23/76/47/917237647.db2.gz XFTQOLKYZTUKTB-RVMXOQNASA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001330271090 917237657 /nfs/dbraw/zinc/23/76/57/917237657.db2.gz XFTQOLKYZTUKTB-RVMXOQNASA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC001330271091 917237725 /nfs/dbraw/zinc/23/77/25/917237725.db2.gz XFTQOLKYZTUKTB-WUHRBBMRSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001330271091 917237735 /nfs/dbraw/zinc/23/77/35/917237735.db2.gz XFTQOLKYZTUKTB-WUHRBBMRSA-N 1 1 311.382 -1.074 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001330310096 917237960 /nfs/dbraw/zinc/23/79/60/917237960.db2.gz QVWMRTVYRYFBQX-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC001330270645 917238136 /nfs/dbraw/zinc/23/81/36/917238136.db2.gz PIKDGSFAVJUQRE-SNVBAGLBSA-N 1 1 322.369 -1.235 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1 ZINC001330318860 917240613 /nfs/dbraw/zinc/24/06/13/917240613.db2.gz FESYJNSKPJQHDB-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[C@@H]1CCNC1=O ZINC001330479957 917250892 /nfs/dbraw/zinc/25/08/92/917250892.db2.gz YMFALUNMDWJBAM-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCNC2=O)C1 ZINC001330566771 917255913 /nfs/dbraw/zinc/25/59/13/917255913.db2.gz KMRZYKYFINGKQZ-MNOVXSKESA-N 1 1 311.386 -1.239 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001330623663 917258147 /nfs/dbraw/zinc/25/81/47/917258147.db2.gz YYBOCIQGDIEITJ-KYZUINATSA-N 1 1 316.387 -1.548 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001330953836 917272199 /nfs/dbraw/zinc/27/21/99/917272199.db2.gz QVJFZFVXVJVXPO-MQYQWHSLSA-N 1 1 323.393 -1.195 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001331102735 917276006 /nfs/dbraw/zinc/27/60/06/917276006.db2.gz NYEAJUPBDXQPIG-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001331102735 917276020 /nfs/dbraw/zinc/27/60/20/917276020.db2.gz NYEAJUPBDXQPIG-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@H+](C)CC(=O)N2CCC2)nn1 ZINC001331117143 917279210 /nfs/dbraw/zinc/27/92/10/917279210.db2.gz CHBJUYHMGDOIFZ-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)CC(=O)N2CCC2)nn1 ZINC001331117143 917279219 /nfs/dbraw/zinc/27/92/19/917279219.db2.gz CHBJUYHMGDOIFZ-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccnn1C ZINC001331238558 917289228 /nfs/dbraw/zinc/28/92/28/917289228.db2.gz MHKVWZLOLXQTFP-VXGBXAGGSA-N 1 1 322.413 -1.041 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001331520159 917297680 /nfs/dbraw/zinc/29/76/80/917297680.db2.gz QSWUUYRBABHFIC-QMMMGPOBSA-N 1 1 318.403 -1.288 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC001331553232 917298518 /nfs/dbraw/zinc/29/85/18/917298518.db2.gz LSSBCISZXFMQGQ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331621207 917306230 /nfs/dbraw/zinc/30/62/30/917306230.db2.gz QSZYOZBROQPTTR-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331621207 917306237 /nfs/dbraw/zinc/30/62/37/917306237.db2.gz QSZYOZBROQPTTR-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331621207 917306256 /nfs/dbraw/zinc/30/62/56/917306256.db2.gz QSZYOZBROQPTTR-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331621210 917307794 /nfs/dbraw/zinc/30/77/94/917307794.db2.gz QSZYOZBROQPTTR-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331621210 917307811 /nfs/dbraw/zinc/30/78/11/917307811.db2.gz QSZYOZBROQPTTR-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331621210 917307828 /nfs/dbraw/zinc/30/78/28/917307828.db2.gz QSZYOZBROQPTTR-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cnn(CCF)c1 ZINC001331663714 917310495 /nfs/dbraw/zinc/31/04/95/917310495.db2.gz NARNDWLRTKUEKF-NSHDSACASA-N 1 1 313.333 -1.026 20 0 DAADMO NC(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC001331664740 917314764 /nfs/dbraw/zinc/31/47/64/917314764.db2.gz SBBDTENFGOIMJI-LBPRGKRZSA-N 1 1 320.349 -1.093 20 0 DAADMO CC[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CCNC1=O ZINC001331725250 917323556 /nfs/dbraw/zinc/32/35/56/917323556.db2.gz MIIRXDWRUBAOJN-YGRLFVJLSA-N 1 1 324.385 -1.702 20 0 DAADMO CC[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CCNC1=O ZINC001331725249 917323957 /nfs/dbraw/zinc/32/39/57/917323957.db2.gz MIIRXDWRUBAOJN-QMTHXVAHSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(NCCS(=O)(=O)C1CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331730998 917324342 /nfs/dbraw/zinc/32/43/42/917324342.db2.gz JFVSSYZPXNWUAX-VIFPVBQESA-N 1 1 319.383 -2.216 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001331727168 917324802 /nfs/dbraw/zinc/32/48/02/917324802.db2.gz WTNXEKDEHHSWTO-NSHDSACASA-N 1 1 311.386 -1.019 20 0 DAADMO CC[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CCNC1=O ZINC001331725248 917325308 /nfs/dbraw/zinc/32/53/08/917325308.db2.gz MIIRXDWRUBAOJN-IINYFYTJSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]CCCN1CCCC1=O)c1cnn[nH]1 ZINC001331741742 917326722 /nfs/dbraw/zinc/32/67/22/917326722.db2.gz YAXMAKBCTRYNOL-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]CCCN1CCCC1=O)c1cnn[nH]1 ZINC001331741743 917328321 /nfs/dbraw/zinc/32/83/21/917328321.db2.gz YAXMAKBCTRYNOL-SNVBAGLBSA-N 1 1 310.358 -1.503 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001331774566 917334356 /nfs/dbraw/zinc/33/43/56/917334356.db2.gz MXAXJHFANFWTPM-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001331774564 917335289 /nfs/dbraw/zinc/33/52/89/917335289.db2.gz MXAXJHFANFWTPM-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1nccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001331767452 917335423 /nfs/dbraw/zinc/33/54/23/917335423.db2.gz PULLSYYFDATVBW-JTQLQIEISA-N 1 1 322.369 -1.185 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1F ZINC001331775393 917336476 /nfs/dbraw/zinc/33/64/76/917336476.db2.gz SZRLSRIMHWYKEE-QMMMGPOBSA-N 1 1 312.301 -1.684 20 0 DAADMO Cc1ccccc1NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001331775379 917336741 /nfs/dbraw/zinc/33/67/41/917336741.db2.gz SWFVMCSLISYWLK-SNVBAGLBSA-N 1 1 308.338 -1.514 20 0 DAADMO Cc1ccccc1NC(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001331775378 917338016 /nfs/dbraw/zinc/33/80/16/917338016.db2.gz SWFVMCSLISYWLK-JTQLQIEISA-N 1 1 308.338 -1.514 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001331774976 917338564 /nfs/dbraw/zinc/33/85/64/917338564.db2.gz QEUSUJDRSSFOGW-NSHDSACASA-N 1 1 321.381 -1.339 20 0 DAADMO Cn1cc([C@@H](O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC001331807135 917341816 /nfs/dbraw/zinc/34/18/16/917341816.db2.gz MBJYSSNAHVKOOY-NWDGAFQWSA-N 1 1 309.370 -1.091 20 0 DAADMO COCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001331870343 917346024 /nfs/dbraw/zinc/34/60/24/917346024.db2.gz PQFNEYFGUKTCHJ-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[C@H]1CCNC1=O ZINC001332002231 917349630 /nfs/dbraw/zinc/34/96/30/917349630.db2.gz CFQMKXGOBOLLCT-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001332201710 917357576 /nfs/dbraw/zinc/35/75/76/917357576.db2.gz MDIPTBWHZLQGNJ-SDDRHHMPSA-N 1 1 308.382 -1.305 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001332367632 917366141 /nfs/dbraw/zinc/36/61/41/917366141.db2.gz RQZKCRLWJNZCJP-STQMWFEESA-N 1 1 304.387 -1.217 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnc(C(C)(C)C)[nH]1)C(=O)C(N)=O ZINC001332559429 917383850 /nfs/dbraw/zinc/38/38/50/917383850.db2.gz CECCLSPUDRADLS-QMMMGPOBSA-N 1 1 312.374 -1.504 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nc2c(o1)CCCC2)C(=O)C(N)=O ZINC001332562601 917384138 /nfs/dbraw/zinc/38/41/38/917384138.db2.gz WHULXOLIJXEINC-SECBINFHSA-N 1 1 310.354 -1.052 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C(C)(C)C)C(=O)C(N)=O ZINC001332561573 917384233 /nfs/dbraw/zinc/38/42/33/917384233.db2.gz QBCGNPYEEHFYEI-QMMMGPOBSA-N 1 1 313.362 -2.178 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1(C(N)=O)CC1 ZINC001332565966 917384708 /nfs/dbraw/zinc/38/47/08/917384708.db2.gz JSBORWXSSJJFKC-JTQLQIEISA-N 1 1 310.358 -2.011 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1(C(N)=O)CC1 ZINC001332565968 917385304 /nfs/dbraw/zinc/38/53/04/917385304.db2.gz JSBORWXSSJJFKC-SNVBAGLBSA-N 1 1 310.358 -2.011 20 0 DAADMO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001332577577 917386577 /nfs/dbraw/zinc/38/65/77/917386577.db2.gz FPUHQJVKFTWENH-JTQLQIEISA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@]1(C)CCNC1=O ZINC001332566122 917387995 /nfs/dbraw/zinc/38/79/95/917387995.db2.gz KNRIGXJERBXAND-ZWNOBZJWSA-N 1 1 311.342 -1.495 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001332568391 917389032 /nfs/dbraw/zinc/38/90/32/917389032.db2.gz ZJHWPSMFCZAQGN-LLVKDONJSA-N 1 1 321.381 -1.041 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001332594825 917392148 /nfs/dbraw/zinc/39/21/48/917392148.db2.gz TUOUNIBRHCXKJC-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO CC[C@@]1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CCNC1=O ZINC001332631815 917398213 /nfs/dbraw/zinc/39/82/13/917398213.db2.gz KUVOXPGDQMRAEN-BXUZGUMPSA-N 1 1 301.387 -1.354 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632278 917398563 /nfs/dbraw/zinc/39/85/63/917398563.db2.gz NIENEQQWZVZBFH-ZJUUUORDSA-N 1 1 316.402 -1.617 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632278 917398571 /nfs/dbraw/zinc/39/85/71/917398571.db2.gz NIENEQQWZVZBFH-ZJUUUORDSA-N 1 1 316.402 -1.617 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648609 917399400 /nfs/dbraw/zinc/39/94/00/917399400.db2.gz QUIKJXUFJFCGBV-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648609 917399417 /nfs/dbraw/zinc/39/94/17/917399417.db2.gz QUIKJXUFJFCGBV-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663469 917401273 /nfs/dbraw/zinc/40/12/73/917401273.db2.gz CZBJRCWLBFRJHB-GXSJLCMTSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663469 917401281 /nfs/dbraw/zinc/40/12/81/917401281.db2.gz CZBJRCWLBFRJHB-GXSJLCMTSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332675402 917402109 /nfs/dbraw/zinc/40/21/09/917402109.db2.gz BUCRMUCWNAPNNG-UWVGGRQHSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001332675402 917402125 /nfs/dbraw/zinc/40/21/25/917402125.db2.gz BUCRMUCWNAPNNG-UWVGGRQHSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332665228 917402432 /nfs/dbraw/zinc/40/24/32/917402432.db2.gz YSQJGZYWBHAXMT-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332665228 917402441 /nfs/dbraw/zinc/40/24/41/917402441.db2.gz YSQJGZYWBHAXMT-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332663031 917402650 /nfs/dbraw/zinc/40/26/50/917402650.db2.gz JORVAQBCBPCDNY-QWRGUYRKSA-N 1 1 316.402 -1.472 20 0 DAADMO CCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332663031 917402653 /nfs/dbraw/zinc/40/26/53/917402653.db2.gz JORVAQBCBPCDNY-QWRGUYRKSA-N 1 1 316.402 -1.472 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO[C@H]1CCOC1)C(=O)C(N)=O ZINC001332664470 917402682 /nfs/dbraw/zinc/40/26/82/917402682.db2.gz UIXARYPMHMGOAG-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)C1(C(N)=O)CC1 ZINC001332665290 917402699 /nfs/dbraw/zinc/40/26/99/917402699.db2.gz ZCCYVAZDMXAWMG-LBPRGKRZSA-N 1 1 323.397 -1.063 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)C1(C(N)=O)CC1 ZINC001332665290 917402709 /nfs/dbraw/zinc/40/27/09/917402709.db2.gz ZCCYVAZDMXAWMG-LBPRGKRZSA-N 1 1 323.397 -1.063 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO[C@@H]1CCOC1)C(=O)C(N)=O ZINC001332664471 917402785 /nfs/dbraw/zinc/40/27/85/917402785.db2.gz UIXARYPMHMGOAG-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332678213 917404306 /nfs/dbraw/zinc/40/43/06/917404306.db2.gz YQZWAMQFTFERIM-MNOVXSKESA-N 1 1 315.370 -1.827 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001332676411 917404331 /nfs/dbraw/zinc/40/43/31/917404331.db2.gz BHLRZIYOIAMIIZ-NXEZZACHSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001332676411 917404337 /nfs/dbraw/zinc/40/43/37/917404337.db2.gz BHLRZIYOIAMIIZ-NXEZZACHSA-N 1 1 318.349 -1.305 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCOC[C@H]1CCO ZINC001332676159 917404849 /nfs/dbraw/zinc/40/48/49/917404849.db2.gz KTBMZKINWODVJU-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC001332999765 917420249 /nfs/dbraw/zinc/42/02/49/917420249.db2.gz UTMRDMQLCOLQCB-NWDGAFQWSA-N 1 1 307.354 -1.686 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC001333035082 917420466 /nfs/dbraw/zinc/42/04/66/917420466.db2.gz TUOAMKDBCPKEQA-GMTAPVOTSA-N 1 1 317.411 -1.111 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)OC)C1 ZINC001333061656 917420631 /nfs/dbraw/zinc/42/06/31/917420631.db2.gz RDKIQPZMOJOQRE-ZJUUUORDSA-N 1 1 319.333 -1.549 20 0 DAADMO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)CC2 ZINC001333223364 917428219 /nfs/dbraw/zinc/42/82/19/917428219.db2.gz HQAXSFPTKFNRHI-LLVKDONJSA-N 1 1 319.365 -1.515 20 0 DAADMO Cn1nc2c(cc1=O)CN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)CC2 ZINC001333223364 917428228 /nfs/dbraw/zinc/42/82/28/917428228.db2.gz HQAXSFPTKFNRHI-LLVKDONJSA-N 1 1 319.365 -1.515 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001333243827 917431948 /nfs/dbraw/zinc/43/19/48/917431948.db2.gz AJLZQYVEJXSWTK-NSHDSACASA-N 1 1 322.369 -1.277 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001333225364 917432049 /nfs/dbraw/zinc/43/20/49/917432049.db2.gz UKYDCGNEWAOGKY-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001333225364 917432056 /nfs/dbraw/zinc/43/20/56/917432056.db2.gz UKYDCGNEWAOGKY-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001333283822 917434679 /nfs/dbraw/zinc/43/46/79/917434679.db2.gz VBLDSAXKXZYUQR-UHFFFAOYSA-N 1 1 317.357 -1.287 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001333377633 917437303 /nfs/dbraw/zinc/43/73/03/917437303.db2.gz HZTVUOLCDUSWBD-HEHGZKQESA-N 1 1 323.441 -1.584 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H]1CN(C)CCN1C)[C@H]1CC[NH2+]C1 ZINC001333376969 917437388 /nfs/dbraw/zinc/43/73/88/917437388.db2.gz FFIOKPLCALTTGC-STQMWFEESA-N 1 1 311.430 -1.441 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001333430849 917441772 /nfs/dbraw/zinc/44/17/72/917441772.db2.gz UTGKLCLSGKMXNJ-LPEHRKFASA-N 1 1 301.368 -1.097 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001333430849 917441780 /nfs/dbraw/zinc/44/17/80/917441780.db2.gz UTGKLCLSGKMXNJ-LPEHRKFASA-N 1 1 301.368 -1.097 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001333419098 917442036 /nfs/dbraw/zinc/44/20/36/917442036.db2.gz CIJGSFHTEXRBNQ-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001333419098 917442046 /nfs/dbraw/zinc/44/20/46/917442046.db2.gz CIJGSFHTEXRBNQ-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001333447303 917444321 /nfs/dbraw/zinc/44/43/21/917444321.db2.gz ISPQHOZORCSMAX-JTQLQIEISA-N 1 1 322.365 -1.243 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001333447303 917444329 /nfs/dbraw/zinc/44/43/29/917444329.db2.gz ISPQHOZORCSMAX-JTQLQIEISA-N 1 1 322.365 -1.243 20 0 DAADMO CN1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333564621 917450371 /nfs/dbraw/zinc/45/03/71/917450371.db2.gz ATOSJEUJJKLMAZ-SECBINFHSA-N 1 1 322.369 -1.533 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCOC[C@@H]1CCO ZINC001333834176 917462149 /nfs/dbraw/zinc/46/21/49/917462149.db2.gz GNJBTTFFBPZPGJ-LBPRGKRZSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001333999938 917471443 /nfs/dbraw/zinc/47/14/43/917471443.db2.gz NMWJUAKHTNJITB-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001333999938 917471464 /nfs/dbraw/zinc/47/14/64/917471464.db2.gz NMWJUAKHTNJITB-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001333999938 917471476 /nfs/dbraw/zinc/47/14/76/917471476.db2.gz NMWJUAKHTNJITB-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001334206403 917478656 /nfs/dbraw/zinc/47/86/56/917478656.db2.gz JQZKZWVMMYCZQT-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001334206403 917478663 /nfs/dbraw/zinc/47/86/63/917478663.db2.gz JQZKZWVMMYCZQT-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC001334451223 917490343 /nfs/dbraw/zinc/49/03/43/917490343.db2.gz QPIAJOABGFZQMO-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC001334451223 917490354 /nfs/dbraw/zinc/49/03/54/917490354.db2.gz QPIAJOABGFZQMO-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001334501121 917492231 /nfs/dbraw/zinc/49/22/31/917492231.db2.gz QIZOGCOGORQACR-MNOVXSKESA-N 1 1 324.385 -1.738 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001334500124 917493169 /nfs/dbraw/zinc/49/31/69/917493169.db2.gz IIYQTHYNNQBVHH-QWRGUYRKSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001334500124 917493180 /nfs/dbraw/zinc/49/31/80/917493180.db2.gz IIYQTHYNNQBVHH-QWRGUYRKSA-N 1 1 314.386 -1.456 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334639196 917499517 /nfs/dbraw/zinc/49/95/17/917499517.db2.gz BNVCHGXEFOGRDP-PRFQISJJSA-N 1 1 322.409 -1.360 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001334664521 917502803 /nfs/dbraw/zinc/50/28/03/917502803.db2.gz IRQNYBPWKMGRLK-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)C1=O ZINC001334764152 917504369 /nfs/dbraw/zinc/50/43/69/917504369.db2.gz RWLDVOZTEWCBAW-HZMBPMFUSA-N 1 1 324.381 -1.016 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@H+](CN2CC3(COC3)CC2=O)C1 ZINC001334743129 917504991 /nfs/dbraw/zinc/50/49/91/917504991.db2.gz NWKQFVZBBWIDJA-SNVBAGLBSA-N 1 1 303.384 -1.197 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CN2CC3(COC3)CC2=O)C1 ZINC001334743129 917505002 /nfs/dbraw/zinc/50/50/02/917505002.db2.gz NWKQFVZBBWIDJA-SNVBAGLBSA-N 1 1 303.384 -1.197 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001334819087 917507836 /nfs/dbraw/zinc/50/78/36/917507836.db2.gz CNMSQBZPIJYWAS-ZJUUUORDSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001334819087 917507845 /nfs/dbraw/zinc/50/78/45/917507845.db2.gz CNMSQBZPIJYWAS-ZJUUUORDSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001334819083 917508368 /nfs/dbraw/zinc/50/83/68/917508368.db2.gz CNMSQBZPIJYWAS-UWVGGRQHSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001334819083 917508376 /nfs/dbraw/zinc/50/83/76/917508376.db2.gz CNMSQBZPIJYWAS-UWVGGRQHSA-N 1 1 317.411 -1.111 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC001334935902 917512184 /nfs/dbraw/zinc/51/21/84/917512184.db2.gz PEFXHDSWSZTXIG-HNNXBMFYSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001335076711 917521049 /nfs/dbraw/zinc/52/10/49/917521049.db2.gz RZRXLENESNXWLH-JTQLQIEISA-N 1 1 305.338 -1.113 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001335076711 917521065 /nfs/dbraw/zinc/52/10/65/917521065.db2.gz RZRXLENESNXWLH-JTQLQIEISA-N 1 1 305.338 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC001335074114 917521684 /nfs/dbraw/zinc/52/16/84/917521684.db2.gz BSXWGHLLYQHFQX-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC001335074114 917521696 /nfs/dbraw/zinc/52/16/96/917521696.db2.gz BSXWGHLLYQHFQX-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](NC(=O)C(N)=O)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001335114352 917523985 /nfs/dbraw/zinc/52/39/85/917523985.db2.gz AZEUJVLQRMMHGH-JTQLQIEISA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@H]1CCNC1=O ZINC001335156813 917526004 /nfs/dbraw/zinc/52/60/04/917526004.db2.gz UDOAREGPRNFFMT-RYUDHWBXSA-N 1 1 324.381 -1.639 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C(=O)N[C@H]1CCNC1=O ZINC001335156812 917526425 /nfs/dbraw/zinc/52/64/25/917526425.db2.gz UDOAREGPRNFFMT-NEPJUHHUSA-N 1 1 324.381 -1.639 20 0 DAADMO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335205563 917530523 /nfs/dbraw/zinc/53/05/23/917530523.db2.gz VFPOQJIIVOSJQQ-OLZOCXBDSA-N 1 1 310.398 -1.620 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001335231948 917534797 /nfs/dbraw/zinc/53/47/97/917534797.db2.gz ZBLBZFBROTYGLW-VHSXEESVSA-N 1 1 319.383 -2.216 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N2C(=O)[C@H]3C[C@@H](O)CN3C2=O)CC1 ZINC001335251351 917536799 /nfs/dbraw/zinc/53/67/99/917536799.db2.gz JSCYKEQUUZYULV-VXGBXAGGSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001335231946 917537041 /nfs/dbraw/zinc/53/70/41/917537041.db2.gz ZBLBZFBROTYGLW-UWVGGRQHSA-N 1 1 319.383 -2.216 20 0 DAADMO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335255447 917538847 /nfs/dbraw/zinc/53/88/47/917538847.db2.gz MDZDBWQJVWNWRP-RWMBFGLXSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335279665 917540093 /nfs/dbraw/zinc/54/00/93/917540093.db2.gz ZBQXFBDQQVUBQU-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335255445 917540344 /nfs/dbraw/zinc/54/03/44/917540344.db2.gz MDZDBWQJVWNWRP-AVGNSLFASA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC2CC([NH+]3CCOCC3)C2)C1=O ZINC001335298383 917542252 /nfs/dbraw/zinc/54/22/52/917542252.db2.gz QKGHUJWPPLQTQP-UHFFFAOYSA-N 1 1 324.337 -1.614 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001335554437 917554935 /nfs/dbraw/zinc/55/49/35/917554935.db2.gz DVIMMMWKCAMVAV-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001335554437 917554946 /nfs/dbraw/zinc/55/49/46/917554946.db2.gz DVIMMMWKCAMVAV-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO COCCn1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cn1 ZINC001335981682 917567480 /nfs/dbraw/zinc/56/74/80/917567480.db2.gz KPQLPUJTFNOWPM-LBPRGKRZSA-N 1 1 309.370 -1.034 20 0 DAADMO COCCn1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC001335981682 917567489 /nfs/dbraw/zinc/56/74/89/917567489.db2.gz KPQLPUJTFNOWPM-LBPRGKRZSA-N 1 1 309.370 -1.034 20 0 DAADMO COCCn1cc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cn1 ZINC001335981681 917567646 /nfs/dbraw/zinc/56/76/46/917567646.db2.gz KPQLPUJTFNOWPM-GFCCVEGCSA-N 1 1 309.370 -1.034 20 0 DAADMO COCCn1cc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC001335981681 917567655 /nfs/dbraw/zinc/56/76/55/917567655.db2.gz KPQLPUJTFNOWPM-GFCCVEGCSA-N 1 1 309.370 -1.034 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccn(CCF)n2)C1 ZINC001335954640 917568656 /nfs/dbraw/zinc/56/86/56/917568656.db2.gz IHGJPKXXPRMOAW-ZDUSSCGKSA-N 1 1 313.333 -1.026 20 0 DAADMO CN1CCC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC001336156354 917571693 /nfs/dbraw/zinc/57/16/93/917571693.db2.gz LMMNAQQRSQCZTL-QJPTWQEYSA-N 1 1 324.381 -1.999 20 0 DAADMO CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC001336231674 917572898 /nfs/dbraw/zinc/57/28/98/917572898.db2.gz MQZHZFCBEIPSCK-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CN(C)C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC001336231674 917572904 /nfs/dbraw/zinc/57/29/04/917572904.db2.gz MQZHZFCBEIPSCK-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)N1CCN(C)CC[N@@H+](C)CC1 ZINC001336441307 917582049 /nfs/dbraw/zinc/58/20/49/917582049.db2.gz BCOGGBFIFRRCTD-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001336368638 917583350 /nfs/dbraw/zinc/58/33/50/917583350.db2.gz ADVIBNLQZUMGSE-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001336368638 917583363 /nfs/dbraw/zinc/58/33/63/917583363.db2.gz ADVIBNLQZUMGSE-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001336473866 917586533 /nfs/dbraw/zinc/58/65/33/917586533.db2.gz MDDDFGMVPAHZTD-LBPRGKRZSA-N 1 1 311.382 -1.339 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001336500062 917589386 /nfs/dbraw/zinc/58/93/86/917589386.db2.gz ATMDNTQDJFJDQR-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001336500062 917589390 /nfs/dbraw/zinc/58/93/90/917589390.db2.gz ATMDNTQDJFJDQR-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001336557445 917591550 /nfs/dbraw/zinc/59/15/50/917591550.db2.gz RCFJOLZFWYEWIC-FVCCEPFGSA-N 1 1 309.414 -1.643 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001336555993 917592042 /nfs/dbraw/zinc/59/20/42/917592042.db2.gz KBTFWMJDGDZCAT-BFHYXJOUSA-N 1 1 323.441 -1.584 20 0 DAADMO CC(C)N1CC[NH+](CCC(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC001336599511 917594036 /nfs/dbraw/zinc/59/40/36/917594036.db2.gz KFIZIKYBQDHMFH-UHFFFAOYSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001337310198 917616725 /nfs/dbraw/zinc/61/67/25/917616725.db2.gz AEAFSCXWEHVZML-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001337381420 917618255 /nfs/dbraw/zinc/61/82/55/917618255.db2.gz NAACTWMCQFONHJ-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337602126 917633006 /nfs/dbraw/zinc/63/30/06/917633006.db2.gz MPRCYURCMXSGSH-ZJUUUORDSA-N 1 1 300.359 -2.203 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001337599207 917633268 /nfs/dbraw/zinc/63/32/68/917633268.db2.gz DSVFGAWJPHEBSK-ZJUUUORDSA-N 1 1 300.359 -2.061 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001337612623 917635534 /nfs/dbraw/zinc/63/55/34/917635534.db2.gz YLHDWDMIPUGFIN-MNOVXSKESA-N 1 1 314.386 -1.671 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001337656242 917641547 /nfs/dbraw/zinc/64/15/47/917641547.db2.gz NCPZFKWTSHYISY-SECBINFHSA-N 1 1 311.342 -1.915 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@@H]2CO)C[C@H](C)[N@H+]1CCO ZINC001338183516 917673111 /nfs/dbraw/zinc/67/31/11/917673111.db2.gz FCFCDZZTYWCWQY-FRRDWIJNSA-N 1 1 311.382 -1.341 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC=C[C@@H]2CO)C[C@H](C)[N@@H+]1CCO ZINC001338183516 917673120 /nfs/dbraw/zinc/67/31/20/917673120.db2.gz FCFCDZZTYWCWQY-FRRDWIJNSA-N 1 1 311.382 -1.341 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001338321956 917677760 /nfs/dbraw/zinc/67/77/60/917677760.db2.gz MFKNYGFKCVVBDJ-SYQHCUMBSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001338321956 917677772 /nfs/dbraw/zinc/67/77/72/917677772.db2.gz MFKNYGFKCVVBDJ-SYQHCUMBSA-N 1 1 324.425 -1.103 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC=C[C@H]1CO)C[NH+]1CCOCC1 ZINC001338486350 917688217 /nfs/dbraw/zinc/68/82/17/917688217.db2.gz GSEDJVAGFGBAQK-STQMWFEESA-N 1 1 311.382 -1.170 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001338511476 917689367 /nfs/dbraw/zinc/68/93/67/917689367.db2.gz KPNPXVUMFDBVRL-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001338511476 917689380 /nfs/dbraw/zinc/68/93/80/917689380.db2.gz KPNPXVUMFDBVRL-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001338528043 917691189 /nfs/dbraw/zinc/69/11/89/917691189.db2.gz IULSNSBDYXRFRQ-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001338594522 917695548 /nfs/dbraw/zinc/69/55/48/917695548.db2.gz HFCXAUGHIWVEHL-VIFPVBQESA-N 1 1 302.375 -1.863 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001338594521 917695749 /nfs/dbraw/zinc/69/57/49/917695749.db2.gz HFCXAUGHIWVEHL-SECBINFHSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)C(N)=O ZINC001338595614 917696811 /nfs/dbraw/zinc/69/68/11/917696811.db2.gz OQJQNJVYMLVXNG-JTQLQIEISA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001338669311 917701184 /nfs/dbraw/zinc/70/11/84/917701184.db2.gz ZAWPEOWEYKEPOA-NSHDSACASA-N 1 1 314.386 -1.766 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001338674244 917702367 /nfs/dbraw/zinc/70/23/67/917702367.db2.gz HLCNYBZZOOUBTH-JTQLQIEISA-N 1 1 302.375 -1.909 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C(N)=O ZINC001338657736 917703188 /nfs/dbraw/zinc/70/31/88/917703188.db2.gz CODXQWDCDZMLKX-ZJUUUORDSA-N 1 1 300.359 -2.299 20 0 DAADMO C[N@H+]1CC[C@@H]1CN1C(=O)[C@@H]2C[C@H](N3C(=O)CNC3=O)CN2C1=O ZINC001339998075 917725689 /nfs/dbraw/zinc/72/56/89/917725689.db2.gz KIMKNUOWQGJTGM-UTLUCORTSA-N 1 1 321.337 -1.353 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001340156801 917730624 /nfs/dbraw/zinc/73/06/24/917730624.db2.gz CJLUCXUPIWSAAT-DOMZBBRYSA-N 1 1 311.382 -1.334 20 0 DAADMO CON(C)C(=O)CC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001340464405 917733719 /nfs/dbraw/zinc/73/37/19/917733719.db2.gz GSPVHVGRELGBSJ-UHFFFAOYSA-N 1 1 308.404 -1.698 20 0 DAADMO CN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)NCC1=O ZINC001340248515 917733979 /nfs/dbraw/zinc/73/39/79/917733979.db2.gz JLFWLYSIJRMCQE-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC001340596430 917736613 /nfs/dbraw/zinc/73/66/13/917736613.db2.gz JGPJBNUUTDGYAO-UTUOFQBUSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H](CCCCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770663 917740626 /nfs/dbraw/zinc/74/06/26/917740626.db2.gz JCRGXIFFMNEDKH-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770663 917740638 /nfs/dbraw/zinc/74/06/38/917740638.db2.gz JCRGXIFFMNEDKH-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001340926940 917745601 /nfs/dbraw/zinc/74/56/01/917745601.db2.gz ATQGSGUKLSKQAB-KFWWJZLASA-N 1 1 307.442 -1.119 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@]1(OC)CCOC1 ZINC001341182744 917748105 /nfs/dbraw/zinc/74/81/05/917748105.db2.gz DDWGXYJNAGEDDT-AWEZNQCLSA-N 1 1 317.386 -1.398 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)O1 ZINC001341032173 917748356 /nfs/dbraw/zinc/74/83/56/917748356.db2.gz QXEMMWRJQVTDAF-DLOVCJGASA-N 1 1 324.381 -1.512 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H](CO)C1 ZINC001341182587 917748527 /nfs/dbraw/zinc/74/85/27/917748527.db2.gz OWKSMLOAYCSBTF-JHJVBQTASA-N 1 1 311.382 -1.193 20 0 DAADMO CN(CCO)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001341184644 917748627 /nfs/dbraw/zinc/74/86/27/917748627.db2.gz OSRPLQNTOHKXBX-NSHDSACASA-N 1 1 314.386 -1.859 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCc3nc[nH]c3[C@@]23CC[NH2+]C3)C1=O ZINC001341035559 917748962 /nfs/dbraw/zinc/74/89/62/917748962.db2.gz KKPRXBYECQFWQU-ABAIWWIYSA-N 1 1 319.365 -1.160 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)O1 ZINC001341032177 917749014 /nfs/dbraw/zinc/74/90/14/917749014.db2.gz QXEMMWRJQVTDAF-USWWRNFRSA-N 1 1 324.381 -1.512 20 0 DAADMO COC[C@@]1(C(=O)N2CCN(C)CCN(C)CC2)C[NH2+]CCO1 ZINC001341395557 917757056 /nfs/dbraw/zinc/75/70/56/917757056.db2.gz UPPLVRSEKVUWQN-OAHLLOKOSA-N 1 1 314.430 -1.303 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCc1cc(C(N)=O)no1)[N@@H+](C)C1CC1 ZINC001341758005 917762378 /nfs/dbraw/zinc/76/23/78/917762378.db2.gz CXECKLZHJIGJHY-MRVPVSSYSA-N 1 1 323.353 -1.011 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001341691523 917762599 /nfs/dbraw/zinc/76/25/99/917762599.db2.gz JBFUYSCWVVVYFG-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001341770353 917764500 /nfs/dbraw/zinc/76/45/00/917764500.db2.gz RTJFMQYMWGHYAI-NXEZZACHSA-N 1 1 311.386 -1.146 20 0 DAADMO COC1(OC)CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001341834892 917767398 /nfs/dbraw/zinc/76/73/98/917767398.db2.gz BPBWEGOOEHENBE-SNVBAGLBSA-N 1 1 301.343 -1.016 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@@](C)=O)[C@H]1C[N@H+](C)CCO1 ZINC001341919483 917768859 /nfs/dbraw/zinc/76/88/59/917768859.db2.gz OBPIKQPGWWJWED-DCLVOVMVSA-N 1 1 305.400 -1.684 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[S@@](C)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001341919483 917768876 /nfs/dbraw/zinc/76/88/76/917768876.db2.gz OBPIKQPGWWJWED-DCLVOVMVSA-N 1 1 305.400 -1.684 20 0 DAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC001341893481 917769625 /nfs/dbraw/zinc/76/96/25/917769625.db2.gz HBJLKFIZCRNJBN-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC001341893481 917769635 /nfs/dbraw/zinc/76/96/35/917769635.db2.gz HBJLKFIZCRNJBN-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC001341969462 917771638 /nfs/dbraw/zinc/77/16/38/917771638.db2.gz DDQYKFUOCWRZNC-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001341945663 917772702 /nfs/dbraw/zinc/77/27/02/917772702.db2.gz NLUMXQPYMOIUKZ-QWRGUYRKSA-N 1 1 309.370 -1.615 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC001341969464 917772909 /nfs/dbraw/zinc/77/29/09/917772909.db2.gz DDQYKFUOCWRZNC-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001341971520 917773590 /nfs/dbraw/zinc/77/35/90/917773590.db2.gz PUDIWUZDPCAPDV-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001341971520 917773606 /nfs/dbraw/zinc/77/36/06/917773606.db2.gz PUDIWUZDPCAPDV-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC001342096430 917775311 /nfs/dbraw/zinc/77/53/11/917775311.db2.gz BDHYPYZVXKUOCA-MRVPVSSYSA-N 1 1 317.371 -1.899 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1 ZINC001342409517 917784376 /nfs/dbraw/zinc/78/43/76/917784376.db2.gz DJHSHLIDRAVECT-SNVBAGLBSA-N 1 1 307.358 -1.477 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC001342410900 917784907 /nfs/dbraw/zinc/78/49/07/917784907.db2.gz NXEKIWSDJLSPAU-NSHDSACASA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1CCS(=O)(=O)N1 ZINC001342680219 917787319 /nfs/dbraw/zinc/78/73/19/917787319.db2.gz YZNVBPKFCYZHHL-LBPRGKRZSA-N 1 1 318.443 -1.130 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)S(C)(=O)=O ZINC001342858132 917791281 /nfs/dbraw/zinc/79/12/81/917791281.db2.gz BUXMCYMAQSGIRW-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)S(C)(=O)=O ZINC001342858132 917791298 /nfs/dbraw/zinc/79/12/98/917791298.db2.gz BUXMCYMAQSGIRW-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO Cn1nccc1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001342835395 917791521 /nfs/dbraw/zinc/79/15/21/917791521.db2.gz KSLAOGMHDWIBJF-CYBMUJFWSA-N 1 1 322.413 -1.559 20 0 DAADMO O=C(NC[C@H](O)CO)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001343273574 917799518 /nfs/dbraw/zinc/79/95/18/917799518.db2.gz RLLWOPZXRZSHJS-JTQLQIEISA-N 1 1 305.294 -1.325 20 0 DAADMO O=C(NC[C@@H](O)CO)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001343273576 917800432 /nfs/dbraw/zinc/80/04/32/917800432.db2.gz RLLWOPZXRZSHJS-SNVBAGLBSA-N 1 1 305.294 -1.325 20 0 DAADMO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001344777170 917830977 /nfs/dbraw/zinc/83/09/77/917830977.db2.gz XXHGRQFUGATSPX-GRYCIOLGSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001345033057 917835840 /nfs/dbraw/zinc/83/58/40/917835840.db2.gz DGPPAXVSVRIVKW-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@H+](CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001345097960 917836627 /nfs/dbraw/zinc/83/66/27/917836627.db2.gz OOPKXXLXJAALJZ-DCAQKATOSA-N 1 1 303.384 -1.198 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@@H+](CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001345097960 917836643 /nfs/dbraw/zinc/83/66/43/917836643.db2.gz OOPKXXLXJAALJZ-DCAQKATOSA-N 1 1 303.384 -1.198 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)O)CN1CC[NH+](C)CC1 ZINC001345201849 917838039 /nfs/dbraw/zinc/83/80/39/917838039.db2.gz BBSGJXWSJLSMRI-OLZOCXBDSA-N 1 1 314.430 -1.175 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001345201839 917838473 /nfs/dbraw/zinc/83/84/73/917838473.db2.gz BBSGJXWSJLSMRI-CHWSQXEVSA-N 1 1 314.430 -1.175 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC001345206633 917838634 /nfs/dbraw/zinc/83/86/34/917838634.db2.gz XHVCFKKMKXENOG-UWVGGRQHSA-N 1 1 307.358 -1.431 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC001345206632 917839251 /nfs/dbraw/zinc/83/92/51/917839251.db2.gz XHVCFKKMKXENOG-NXEZZACHSA-N 1 1 307.358 -1.431 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1CCO ZINC001345288780 917845281 /nfs/dbraw/zinc/84/52/81/917845281.db2.gz QQDNGXQORYDYDD-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO COCCN1CC[C@@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001345605883 917850275 /nfs/dbraw/zinc/85/02/75/917850275.db2.gz LHUQSLYCRVYZSM-CABCVRRESA-N 1 1 300.447 -1.095 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001345799314 917859623 /nfs/dbraw/zinc/85/96/23/917859623.db2.gz KUSBVLJNEOWAQX-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001345834371 917861790 /nfs/dbraw/zinc/86/17/90/917861790.db2.gz XQGKQAVTCYAULU-NEPJUHHUSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCNS(C)(=O)=O ZINC001346152537 917871935 /nfs/dbraw/zinc/87/19/35/917871935.db2.gz IXBXIOAXWNRLQY-WDEREUQCSA-N 1 1 304.416 -1.570 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cncn2)C1 ZINC001346142135 917871976 /nfs/dbraw/zinc/87/19/76/917871976.db2.gz PTOOXLLPDQZWGB-LLVKDONJSA-N 1 1 310.358 -1.769 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CCO)CC(F)F ZINC001346275548 917880910 /nfs/dbraw/zinc/88/09/10/917880910.db2.gz DSTAGVWNFVECLY-JTQLQIEISA-N 1 1 322.356 -1.566 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CCO)CC(F)F ZINC001346275747 917881213 /nfs/dbraw/zinc/88/12/13/917881213.db2.gz DSTAGVWNFVECLY-SNVBAGLBSA-N 1 1 322.356 -1.566 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001346357221 917883014 /nfs/dbraw/zinc/88/30/14/917883014.db2.gz HDCCDTVWVZEHSU-HJTOQOCKSA-N 1 1 317.411 -1.587 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001346357221 917883029 /nfs/dbraw/zinc/88/30/29/917883029.db2.gz HDCCDTVWVZEHSU-HJTOQOCKSA-N 1 1 317.411 -1.587 20 0 DAADMO COc1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1C ZINC001346456727 917889828 /nfs/dbraw/zinc/88/98/28/917889828.db2.gz ANOHCIANXHIYGN-VHSXEESVSA-N 1 1 323.353 -1.355 20 0 DAADMO O=C1C[C@H](N2CC[NH+]([C@H]3CCOC3)CC2)C(=O)N1CCCO ZINC001346626071 917895478 /nfs/dbraw/zinc/89/54/78/917895478.db2.gz QXCTYJQQDAPOQJ-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001346804271 917898502 /nfs/dbraw/zinc/89/85/02/917898502.db2.gz YJWPECNVZJCKJT-IVZWLZJFSA-N 1 1 307.354 -1.070 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001346769154 917899245 /nfs/dbraw/zinc/89/92/45/917899245.db2.gz GKHFSGHAILBKPZ-AWEZNQCLSA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)OC ZINC001347071059 917910771 /nfs/dbraw/zinc/91/07/71/917910771.db2.gz MAYGHVHCCXRVTB-SDDRHHMPSA-N 1 1 317.386 -1.401 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)OC ZINC001347071059 917910787 /nfs/dbraw/zinc/91/07/87/917910787.db2.gz MAYGHVHCCXRVTB-SDDRHHMPSA-N 1 1 317.386 -1.401 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347141792 917912235 /nfs/dbraw/zinc/91/22/35/917912235.db2.gz XEFAFDQDIQAYMT-WDEREUQCSA-N 1 1 304.416 -1.570 20 0 DAADMO COCCOCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001347597008 917920418 /nfs/dbraw/zinc/92/04/18/917920418.db2.gz KMWMSNNUXFFDKO-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+](C)CCOCCO ZINC001348131934 917929828 /nfs/dbraw/zinc/92/98/28/917929828.db2.gz MHLCWNSYOYMKIG-ZIAGYGMSSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131934 917929838 /nfs/dbraw/zinc/92/98/38/917929838.db2.gz MHLCWNSYOYMKIG-ZIAGYGMSSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131934 917929858 /nfs/dbraw/zinc/92/98/58/917929858.db2.gz MHLCWNSYOYMKIG-ZIAGYGMSSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131934 917929872 /nfs/dbraw/zinc/92/98/72/917929872.db2.gz MHLCWNSYOYMKIG-ZIAGYGMSSA-N 1 1 314.430 -1.568 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348224979 917931670 /nfs/dbraw/zinc/93/16/70/917931670.db2.gz WYVMDEYYIQHHMZ-SWLSCSKDSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348224979 917931685 /nfs/dbraw/zinc/93/16/85/917931685.db2.gz WYVMDEYYIQHHMZ-SWLSCSKDSA-N 1 1 311.382 -1.146 20 0 DAADMO CC(C)(CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001348319501 917935121 /nfs/dbraw/zinc/93/51/21/917935121.db2.gz GZFIUIIXEMSXBD-VIFPVBQESA-N 1 1 321.399 -1.970 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC001348333816 917939499 /nfs/dbraw/zinc/93/94/99/917939499.db2.gz PIOKEHHMTUYVBJ-SECBINFHSA-N 1 1 318.324 -1.034 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C[C@H](C)[N@H+]1C ZINC001348366305 917942724 /nfs/dbraw/zinc/94/27/24/917942724.db2.gz SLSDONYEFROSFL-GRYCIOLGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C[C@H](C)[N@@H+]1C ZINC001348366305 917942739 /nfs/dbraw/zinc/94/27/39/917942739.db2.gz SLSDONYEFROSFL-GRYCIOLGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@]1(CCCC(=O)NCC[N@H+]2CC[C@H](O)C2)NC(=O)NC1=O ZINC001348459714 917946951 /nfs/dbraw/zinc/94/69/51/917946951.db2.gz VXHSDHQHUQOVJA-IINYFYTJSA-N 1 1 312.370 -1.062 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CN(C)C(C)=O)C1 ZINC001348504204 917949291 /nfs/dbraw/zinc/94/92/91/917949291.db2.gz BLBBARJRHGYVBT-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CN(C)C(C)=O)C1 ZINC001348504204 917949303 /nfs/dbraw/zinc/94/93/03/917949303.db2.gz BLBBARJRHGYVBT-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001348544825 917953374 /nfs/dbraw/zinc/95/33/74/917953374.db2.gz AYBKBUCQGXLZNX-NWDGAFQWSA-N 1 1 321.381 -1.157 20 0 DAADMO CS(=O)(=O)CC(=O)NCCNC(=O)CCc1cnc[nH]1 ZINC001348582432 917956359 /nfs/dbraw/zinc/95/63/59/917956359.db2.gz JOCNBDLTNYRRPJ-UHFFFAOYSA-N 1 1 302.356 -1.381 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cnn(C)c2)C1 ZINC001348615000 917958567 /nfs/dbraw/zinc/95/85/67/917958567.db2.gz KREMUZZTKHLWQD-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2cnn(C)c2)C1 ZINC001348615000 917958579 /nfs/dbraw/zinc/95/85/79/917958579.db2.gz KREMUZZTKHLWQD-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348646742 917959839 /nfs/dbraw/zinc/95/98/39/917959839.db2.gz DFIDKPUBOGJLNS-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348648323 917962858 /nfs/dbraw/zinc/96/28/58/917962858.db2.gz SDWCXHAXHHIXHQ-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1C(=O)CCC1=O ZINC001348648397 917963050 /nfs/dbraw/zinc/96/30/50/917963050.db2.gz MOTMHSAAUGVZNZ-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001348699226 917964357 /nfs/dbraw/zinc/96/43/57/917964357.db2.gz ARMROSYKAGLWQY-SNVBAGLBSA-N 1 1 309.326 -2.054 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001348699226 917964369 /nfs/dbraw/zinc/96/43/69/917964369.db2.gz ARMROSYKAGLWQY-SNVBAGLBSA-N 1 1 309.326 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc3n(n2)CCO3)C1 ZINC001348699613 917964865 /nfs/dbraw/zinc/96/48/65/917964865.db2.gz COBINCSAXCNOCB-NSHDSACASA-N 1 1 323.353 -1.548 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cc3n(n2)CCO3)C1 ZINC001348699613 917964889 /nfs/dbraw/zinc/96/48/89/917964889.db2.gz COBINCSAXCNOCB-NSHDSACASA-N 1 1 323.353 -1.548 20 0 DAADMO O=CN1CCC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001348747211 917969467 /nfs/dbraw/zinc/96/94/67/917969467.db2.gz LUWPRPQWGHSJHC-GZBFAFLISA-N 1 1 311.382 -1.051 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](C)n2cncn2)C1 ZINC001348818773 917971645 /nfs/dbraw/zinc/97/16/45/917971645.db2.gz GDTYRSPIFMRTGV-VXGBXAGGSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](C)n2cncn2)C1 ZINC001348818773 917971656 /nfs/dbraw/zinc/97/16/56/917971656.db2.gz GDTYRSPIFMRTGV-VXGBXAGGSA-N 1 1 324.385 -1.208 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)[C@@H]2C1 ZINC001349000058 917984567 /nfs/dbraw/zinc/98/45/67/917984567.db2.gz QJINVFJKWFOUQT-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001348998459 917984765 /nfs/dbraw/zinc/98/47/65/917984765.db2.gz OJEDBLURKORCPV-BDAKNGLRSA-N 1 1 311.342 -2.231 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001348969796 917984804 /nfs/dbraw/zinc/98/48/04/917984804.db2.gz MUNRAQDPKUDBTF-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001348958555 917985189 /nfs/dbraw/zinc/98/51/89/917985189.db2.gz VGGJRVUUEBDEIL-CYBMUJFWSA-N 1 1 322.475 -1.488 20 0 DAADMO COCCn1cc(C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001348980151 917985561 /nfs/dbraw/zinc/98/55/61/917985561.db2.gz ODQDHQFDSNXGIA-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001349024150 917987019 /nfs/dbraw/zinc/98/70/19/917987019.db2.gz LNEJCWZVNVYNIZ-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001349034033 917988290 /nfs/dbraw/zinc/98/82/90/917988290.db2.gz XYYYBGLABPOLNQ-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001349208858 918004054 /nfs/dbraw/zinc/00/40/54/918004054.db2.gz ABLYVAMYLVOTMW-SECBINFHSA-N 1 1 311.338 -1.914 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCCNC1=O ZINC001349291907 918007991 /nfs/dbraw/zinc/00/79/91/918007991.db2.gz CXTGDODJGMZJTC-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)NC1=O ZINC001349379535 918013382 /nfs/dbraw/zinc/01/33/82/918013382.db2.gz PKAHHBVSGUFTPP-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)NC1=O ZINC001349379534 918015157 /nfs/dbraw/zinc/01/51/57/918015157.db2.gz PKAHHBVSGUFTPP-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001349530970 918022640 /nfs/dbraw/zinc/02/26/40/918022640.db2.gz WHTSPXCTKSDVNC-JTQLQIEISA-N 1 1 307.354 -1.042 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CNC(C)=O)C1 ZINC001349620140 918028299 /nfs/dbraw/zinc/02/82/99/918028299.db2.gz NNVVTUHVAAWKBC-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CNC(C)=O)C1 ZINC001349620140 918028308 /nfs/dbraw/zinc/02/83/08/918028308.db2.gz NNVVTUHVAAWKBC-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCCNC(=O)Cn1cnnn1 ZINC001349677780 918030562 /nfs/dbraw/zinc/03/05/62/918030562.db2.gz IWELORQCZOTXHK-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2nccnc2N)C1 ZINC001349831359 918039114 /nfs/dbraw/zinc/03/91/14/918039114.db2.gz HQBGJJKURTVKGN-JTQLQIEISA-N 1 1 322.369 -1.375 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)c2nccnc2N)C1 ZINC001349831359 918039125 /nfs/dbraw/zinc/03/91/25/918039125.db2.gz HQBGJJKURTVKGN-JTQLQIEISA-N 1 1 322.369 -1.375 20 0 DAADMO CN(C)C(=O)CC(=O)NCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001349857289 918041260 /nfs/dbraw/zinc/04/12/60/918041260.db2.gz YLWXPQMAFMPVPM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C)C(=O)CC(=O)NCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001349857289 918041273 /nfs/dbraw/zinc/04/12/73/918041273.db2.gz YLWXPQMAFMPVPM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001349863344 918041582 /nfs/dbraw/zinc/04/15/82/918041582.db2.gz GBRNBSVWGRKLEP-RWMBFGLXSA-N 1 1 310.398 -1.668 20 0 DAADMO CN(C)C(=O)CC(=O)NCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001349857288 918042300 /nfs/dbraw/zinc/04/23/00/918042300.db2.gz YLWXPQMAFMPVPM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C)C(=O)CC(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001349857288 918042312 /nfs/dbraw/zinc/04/23/12/918042312.db2.gz YLWXPQMAFMPVPM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001350004872 918045761 /nfs/dbraw/zinc/04/57/61/918045761.db2.gz MEVBEJGUUBDNIS-CHWSQXEVSA-N 1 1 311.430 -1.312 20 0 DAADMO CN(C)S(=O)(=O)CC[NH+]1CCC(O)(COCCO)CC1 ZINC001350086385 918050140 /nfs/dbraw/zinc/05/01/40/918050140.db2.gz RTLLOEPUBCBRGM-UHFFFAOYSA-N 1 1 310.416 -1.286 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC001350103861 918050472 /nfs/dbraw/zinc/05/04/72/918050472.db2.gz ROHUOQCWMSAWQZ-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)C(=O)Nc1cnn(CCF)c1 ZINC001350214455 918053649 /nfs/dbraw/zinc/05/36/49/918053649.db2.gz OANGCCLCKVTRLQ-UHFFFAOYSA-N 1 1 301.322 -1.169 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC=C[C@H]2CO)n1C ZINC001350398739 918062819 /nfs/dbraw/zinc/06/28/19/918062819.db2.gz IJAPOBFREJYRBG-JTQLQIEISA-N 1 1 307.354 -1.138 20 0 DAADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC001350683650 918071402 /nfs/dbraw/zinc/07/14/02/918071402.db2.gz DQIZCSKYRCSOQZ-ONGXEEELSA-N 1 1 307.354 -1.051 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC001350766770 918072756 /nfs/dbraw/zinc/07/27/56/918072756.db2.gz HPKBGQRNAQMICX-SECBINFHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC001350823420 918076373 /nfs/dbraw/zinc/07/63/73/918076373.db2.gz SEORDWIJCRGFRD-UUIJZJDISA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001350823420 918076389 /nfs/dbraw/zinc/07/63/89/918076389.db2.gz SEORDWIJCRGFRD-UUIJZJDISA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+](CCNC(=O)CC1(O)CCOCC1)CCOCCO ZINC001350888772 918077552 /nfs/dbraw/zinc/07/75/52/918077552.db2.gz FZPTZHRALHQDMJ-UHFFFAOYSA-N 1 1 304.387 -1.025 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC001351118306 918084056 /nfs/dbraw/zinc/08/40/56/918084056.db2.gz NDLASALYOYHTJM-QWHCGFSZSA-N 1 1 303.403 -1.502 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001351543286 918093568 /nfs/dbraw/zinc/09/35/68/918093568.db2.gz BIIZYIIRINQXFF-QWRGUYRKSA-N 1 1 310.354 -1.452 20 0 DAADMO CNC(=O)NCC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001351586073 918100475 /nfs/dbraw/zinc/10/04/75/918100475.db2.gz PQZOPFRPVSSFAP-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CN(CCCNC(=O)c1cc(C[NH+](C)C)on1)C(=O)C(N)=O ZINC001351662490 918104334 /nfs/dbraw/zinc/10/43/34/918104334.db2.gz TXLBHBXMYOPKJV-UHFFFAOYSA-N 1 1 311.342 -1.200 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC001351968987 918115461 /nfs/dbraw/zinc/11/54/61/918115461.db2.gz AFAHMGGMDKGLOP-JTQLQIEISA-N 1 1 313.354 -1.715 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCn3cncn3)CC[C@@H]21 ZINC001352401014 918120159 /nfs/dbraw/zinc/12/01/59/918120159.db2.gz HLRDSKALXFZJKX-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCn3cncn3)CC[C@H]21 ZINC001352401022 918122052 /nfs/dbraw/zinc/12/20/52/918122052.db2.gz HLRDSKALXFZJKX-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)C2=COCCC2)CC1 ZINC001352675664 918124421 /nfs/dbraw/zinc/12/44/21/918124421.db2.gz XYCFTKDMTJIUFD-UHFFFAOYSA-N 1 1 324.381 -1.184 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)C2=CCOCC2)CC1 ZINC001352674812 918124974 /nfs/dbraw/zinc/12/49/74/918124974.db2.gz ROVVTQIIEZGGLO-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCNC(=O)C1 ZINC001352527363 918125146 /nfs/dbraw/zinc/12/51/46/918125146.db2.gz FXXPEQDAENLXMN-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001352825799 918131727 /nfs/dbraw/zinc/13/17/27/918131727.db2.gz RSWXEOXVZQDMIA-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001352825799 918131738 /nfs/dbraw/zinc/13/17/38/918131738.db2.gz RSWXEOXVZQDMIA-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001352825803 918132178 /nfs/dbraw/zinc/13/21/78/918132178.db2.gz RSWXEOXVZQDMIA-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001352825803 918132187 /nfs/dbraw/zinc/13/21/87/918132187.db2.gz RSWXEOXVZQDMIA-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001352825806 918132958 /nfs/dbraw/zinc/13/29/58/918132958.db2.gz RSWXEOXVZQDMIA-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001352825806 918132964 /nfs/dbraw/zinc/13/29/64/918132964.db2.gz RSWXEOXVZQDMIA-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)N1C(=O)CCC1=O ZINC001352910831 918135095 /nfs/dbraw/zinc/13/50/95/918135095.db2.gz QZOAVMSKIKILTK-NSHDSACASA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+](C[C@@H](O)CNCCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279066 918148811 /nfs/dbraw/zinc/14/88/11/918148811.db2.gz XSHKJTMLDKTOPK-ZDUSSCGKSA-N 1 1 305.444 -1.239 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279066 918148818 /nfs/dbraw/zinc/14/88/18/918148818.db2.gz XSHKJTMLDKTOPK-ZDUSSCGKSA-N 1 1 305.444 -1.239 20 0 DAADMO C[N@@H+](C[C@H](O)CNCCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279065 918149096 /nfs/dbraw/zinc/14/90/96/918149096.db2.gz XSHKJTMLDKTOPK-CYBMUJFWSA-N 1 1 305.444 -1.239 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1)C1CC1 ZINC001353279065 918149104 /nfs/dbraw/zinc/14/91/04/918149104.db2.gz XSHKJTMLDKTOPK-CYBMUJFWSA-N 1 1 305.444 -1.239 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(CN3CC[NH+](C)CC3)C2)C1=O ZINC001354019308 918163177 /nfs/dbraw/zinc/16/31/77/918163177.db2.gz LACGUANAIVKBQC-ZDUSSCGKSA-N 1 1 310.398 -1.451 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001354101745 918166199 /nfs/dbraw/zinc/16/61/99/918166199.db2.gz GNOBLGZCXIQMBE-UHFFFAOYSA-N 1 1 300.359 -1.301 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)N1C(=O)CCC1=O ZINC001354169396 918168071 /nfs/dbraw/zinc/16/80/71/918168071.db2.gz HDSICWKMRWWRED-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001354388229 918176277 /nfs/dbraw/zinc/17/62/77/918176277.db2.gz WBUGBHQUJHNFGI-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001354469033 918179105 /nfs/dbraw/zinc/17/91/05/918179105.db2.gz KVSRAAPKCGBWKE-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001354469036 918179782 /nfs/dbraw/zinc/17/97/82/918179782.db2.gz KVSRAAPKCGBWKE-YNEHKIRRSA-N 1 1 312.414 -1.016 20 0 DAADMO O=C(NCC[C@@H]1CNC(=O)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001354559992 918183064 /nfs/dbraw/zinc/18/30/64/918183064.db2.gz XFBCSZWQWNBDOU-WDEREUQCSA-N 1 1 308.382 -1.018 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)CC2 ZINC001354671753 918185607 /nfs/dbraw/zinc/18/56/07/918185607.db2.gz CSGRWTVAJHCFEZ-WCBMZHEXSA-N 1 1 307.354 -1.140 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC001354749507 918190203 /nfs/dbraw/zinc/19/02/03/918190203.db2.gz FGYGSVHOBZXRNA-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001354749507 918190213 /nfs/dbraw/zinc/19/02/13/918190213.db2.gz FGYGSVHOBZXRNA-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C[C@H]2C1=O ZINC001354917610 918192419 /nfs/dbraw/zinc/19/24/19/918192419.db2.gz ZYVZMQSKJGKSKN-BBBLOLIVSA-N 1 1 308.338 -2.120 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)C[C@H]2C1=O ZINC001354917610 918192431 /nfs/dbraw/zinc/19/24/31/918192431.db2.gz ZYVZMQSKJGKSKN-BBBLOLIVSA-N 1 1 308.338 -2.120 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001354977957 918196595 /nfs/dbraw/zinc/19/65/95/918196595.db2.gz HENQSWROMLDNMH-UHFFFAOYSA-N 1 1 306.432 -1.273 20 0 DAADMO CN(CCNC(=O)CC(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001355526372 918203436 /nfs/dbraw/zinc/20/34/36/918203436.db2.gz PQYASMYPDHVQPU-UHFFFAOYSA-N 1 1 311.342 -1.200 20 0 DAADMO CN(CCNC(=O)C1CC(=O)NC(=O)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001355749529 918209054 /nfs/dbraw/zinc/20/90/54/918209054.db2.gz DCNQCCSSKZTHRO-JTQLQIEISA-N 1 1 324.381 -1.435 20 0 DAADMO CN(CCNC(=O)C1CC(=O)NC(=O)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001355749530 918209697 /nfs/dbraw/zinc/20/96/97/918209697.db2.gz DCNQCCSSKZTHRO-SNVBAGLBSA-N 1 1 324.381 -1.435 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)C(N)=O)C1 ZINC001355869697 918213809 /nfs/dbraw/zinc/21/38/09/918213809.db2.gz OLNINBSBAOCEQF-SNVBAGLBSA-N 1 1 300.359 -1.845 20 0 DAADMO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC001356100065 918218078 /nfs/dbraw/zinc/21/80/78/918218078.db2.gz PGXFYXPIRWAMSO-SNVBAGLBSA-N 1 1 319.383 -2.310 20 0 DAADMO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001356130569 918219220 /nfs/dbraw/zinc/21/92/20/918219220.db2.gz ZABXQGJGOGPXKT-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(N4CCCC4=O)C3)C[C@@H]21 ZINC001356403302 918226077 /nfs/dbraw/zinc/22/60/77/918226077.db2.gz IJKDHJKQXCWWEU-YPMHNXCESA-N 1 1 320.393 -1.018 20 0 DAADMO CCS(=O)(=O)CC[NH2+]CC(=O)N1CCC[C@H]1C(=O)NC ZINC001356586675 918232022 /nfs/dbraw/zinc/23/20/22/918232022.db2.gz VJGKXEQCFUJIAH-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001356752175 918240722 /nfs/dbraw/zinc/24/07/22/918240722.db2.gz AFOFBTFDJIZOLH-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001356752175 918240737 /nfs/dbraw/zinc/24/07/37/918240737.db2.gz AFOFBTFDJIZOLH-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001356830668 918253369 /nfs/dbraw/zinc/25/33/69/918253369.db2.gz DPORHCDUWAEENI-LLVKDONJSA-N 1 1 308.382 -1.222 20 0 DAADMO CC[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001356903374 918260387 /nfs/dbraw/zinc/26/03/87/918260387.db2.gz DJEKEHGNXVSIJV-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO NOCCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001357165302 918272474 /nfs/dbraw/zinc/27/24/74/918272474.db2.gz DFZYSYMMPBFOIZ-ZDUSSCGKSA-N 1 1 315.418 -1.028 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357400536 918286743 /nfs/dbraw/zinc/28/67/43/918286743.db2.gz UFWNXXMYOUYZAF-QWRGUYRKSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357399293 918286955 /nfs/dbraw/zinc/28/69/55/918286955.db2.gz HHSSKZAAAJAGFE-NXEZZACHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001357449517 918294569 /nfs/dbraw/zinc/29/45/69/918294569.db2.gz IDWSNANJWGFJED-MNOVXSKESA-N 1 1 314.386 -1.815 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001357672870 918300864 /nfs/dbraw/zinc/30/08/64/918300864.db2.gz QJMKODXJUYQNOO-XOULXFPDSA-N 1 1 307.358 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)Cn2nccn2)C1 ZINC001357695406 918302944 /nfs/dbraw/zinc/30/29/44/918302944.db2.gz HRVPJLYGCJVBSG-QAVQXKDTSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)Cn2nccn2)C1 ZINC001357695406 918302960 /nfs/dbraw/zinc/30/29/60/918302960.db2.gz HRVPJLYGCJVBSG-QAVQXKDTSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697415 918303369 /nfs/dbraw/zinc/30/33/69/918303369.db2.gz VJACFXLYJWSOBU-LMZQTDFCSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697415 918303385 /nfs/dbraw/zinc/30/33/85/918303385.db2.gz VJACFXLYJWSOBU-LMZQTDFCSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)Cn2nccn2)C1 ZINC001357695405 918304635 /nfs/dbraw/zinc/30/46/35/918304635.db2.gz HRVPJLYGCJVBSG-JDGPPOGSSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)Cn2nccn2)C1 ZINC001357695405 918304646 /nfs/dbraw/zinc/30/46/46/918304646.db2.gz HRVPJLYGCJVBSG-JDGPPOGSSA-N 1 1 322.369 -1.603 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001357698439 918304903 /nfs/dbraw/zinc/30/49/03/918304903.db2.gz ZBBGPIALHAEGBF-UMBAGQNISA-N 1 1 323.357 -2.057 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001357698439 918304919 /nfs/dbraw/zinc/30/49/19/918304919.db2.gz ZBBGPIALHAEGBF-UMBAGQNISA-N 1 1 323.357 -2.057 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNC(=O)c1nnn(C)n1 ZINC001357899430 918309334 /nfs/dbraw/zinc/30/93/34/918309334.db2.gz LHHYVASDHRBXQR-AATRIKPKSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cc[n+]([O-])cc1 ZINC001358429253 918321010 /nfs/dbraw/zinc/32/10/10/918321010.db2.gz DGYWBLMYDIABCC-WCQYABFASA-N 1 1 322.365 -1.115 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cc[n+]([O-])cc1 ZINC001358429253 918321025 /nfs/dbraw/zinc/32/10/25/918321025.db2.gz DGYWBLMYDIABCC-WCQYABFASA-N 1 1 322.365 -1.115 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001358663815 918340755 /nfs/dbraw/zinc/34/07/55/918340755.db2.gz UNLIXLSAZULXOB-GHMZBOCLSA-N 1 1 308.382 -1.161 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001358663817 918341419 /nfs/dbraw/zinc/34/14/19/918341419.db2.gz UNLIXLSAZULXOB-QWRGUYRKSA-N 1 1 308.382 -1.161 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](CO)C(=O)OC)C1 ZINC001361622399 918384700 /nfs/dbraw/zinc/38/47/00/918384700.db2.gz FDEXRZFFOZGPSH-WDEREUQCSA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](CO)C(=O)OC)C1 ZINC001361622399 918384712 /nfs/dbraw/zinc/38/47/12/918384712.db2.gz FDEXRZFFOZGPSH-WDEREUQCSA-N 1 1 316.354 -1.088 20 0 DAADMO NC(=O)NCCC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001361713492 918394591 /nfs/dbraw/zinc/39/45/91/918394591.db2.gz SUAYGTSOHRYGNE-LLVKDONJSA-N 1 1 311.386 -1.015 20 0 DAADMO C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1C[N@H+](C)CCO1 ZINC001361763043 918401520 /nfs/dbraw/zinc/40/15/20/918401520.db2.gz RRBNIALLAQSLMU-CMPLNLGQSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001361763043 918401534 /nfs/dbraw/zinc/40/15/34/918401534.db2.gz RRBNIALLAQSLMU-CMPLNLGQSA-N 1 1 320.353 -1.274 20 0 DAADMO CC(C)[C@H](NC(N)=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001361786374 918404998 /nfs/dbraw/zinc/40/49/98/918404998.db2.gz XCJJHFDFFOTHTA-LBPRGKRZSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(O)CCOC1 ZINC001361830840 918411881 /nfs/dbraw/zinc/41/18/81/918411881.db2.gz QKDBLASQIWBSAX-HIFRSBDPSA-N 1 1 313.398 -1.340 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001361836158 918415756 /nfs/dbraw/zinc/41/57/56/918415756.db2.gz ZSSHGSRJZBXRPL-QMMMGPOBSA-N 1 1 311.342 -1.128 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)nn1 ZINC001361934631 918426743 /nfs/dbraw/zinc/42/67/43/918426743.db2.gz RBAQKJMESRABLV-NSHDSACASA-N 1 1 322.369 -1.254 20 0 DAADMO COCCn1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001361925303 918427049 /nfs/dbraw/zinc/42/70/49/918427049.db2.gz OKAAAGNVZUGZAN-UHFFFAOYSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001361951434 918430403 /nfs/dbraw/zinc/43/04/03/918430403.db2.gz GKCDHQAUONQPKE-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001361942478 918430564 /nfs/dbraw/zinc/43/05/64/918430564.db2.gz SSFXAVRJNSGURN-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO CC1=C(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)Cn2nnnc2N1C ZINC001361965908 918432947 /nfs/dbraw/zinc/43/29/47/918432947.db2.gz ZRQRHFUIMYDVPI-LLVKDONJSA-N 1 1 320.401 -1.241 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C2=C3CCCN=C3NN2)CC1 ZINC001362029940 918442501 /nfs/dbraw/zinc/44/25/01/918442501.db2.gz KHVLKCKVZXIBIK-UHFFFAOYSA-N 1 1 320.397 -1.133 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362039605 918444628 /nfs/dbraw/zinc/44/46/28/918444628.db2.gz MRTOTOAKFFDWSC-SNVBAGLBSA-N 1 1 301.391 -1.842 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)CN1CC[NH+](C)CC1 ZINC001362038428 918445039 /nfs/dbraw/zinc/44/50/39/918445039.db2.gz KBRGQMUXBNCENE-NSHDSACASA-N 1 1 323.401 -1.623 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001362041770 918445196 /nfs/dbraw/zinc/44/51/96/918445196.db2.gz UNAOPRKKNBVABM-CABZTGNLSA-N 1 1 305.400 -1.279 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001362059876 918449047 /nfs/dbraw/zinc/44/90/47/918449047.db2.gz QROKJVHWZWHCEN-TUAOUCFPSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1nnc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)n1 ZINC001362066301 918450076 /nfs/dbraw/zinc/45/00/76/918450076.db2.gz WFZMJRAEUOSNGD-VIFPVBQESA-N 1 1 316.387 -1.599 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001362077903 918453886 /nfs/dbraw/zinc/45/38/86/918453886.db2.gz LFCRXZNZOTZSQG-RYUDHWBXSA-N 1 1 314.386 -1.271 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001362086236 918455739 /nfs/dbraw/zinc/45/57/39/918455739.db2.gz IKIXKWMUMAHIKN-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001362086236 918455744 /nfs/dbraw/zinc/45/57/44/918455744.db2.gz IKIXKWMUMAHIKN-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001362123752 918461737 /nfs/dbraw/zinc/46/17/37/918461737.db2.gz TUTCLXIQTBABAA-VIFPVBQESA-N 1 1 303.388 -1.002 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001362132782 918462978 /nfs/dbraw/zinc/46/29/78/918462978.db2.gz GKCDHQAUONQPKE-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001362152886 918466245 /nfs/dbraw/zinc/46/62/45/918466245.db2.gz RYDXTZONAOIELK-NEPJUHHUSA-N 1 1 320.459 -1.078 20 0 DAADMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn(C(F)(F)CO)nn1 ZINC001362144925 918466559 /nfs/dbraw/zinc/46/65/59/918466559.db2.gz GJXRLWFOBFPPMW-SECBINFHSA-N 1 1 318.328 -1.205 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cn(C(F)(F)CO)nn1 ZINC001362144925 918466569 /nfs/dbraw/zinc/46/65/69/918466569.db2.gz GJXRLWFOBFPPMW-SECBINFHSA-N 1 1 318.328 -1.205 20 0 DAADMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001362144673 918467214 /nfs/dbraw/zinc/46/72/14/918467214.db2.gz DPDXEJKJIKIWST-MRVPVSSYSA-N 1 1 316.387 -1.967 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001362144673 918467225 /nfs/dbraw/zinc/46/72/25/918467225.db2.gz DPDXEJKJIKIWST-MRVPVSSYSA-N 1 1 316.387 -1.967 20 0 DAADMO Nc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001362146018 918467805 /nfs/dbraw/zinc/46/78/05/918467805.db2.gz XNQOWTPSASKDII-ZDUSSCGKSA-N 1 1 322.413 -1.012 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001362178132 918472618 /nfs/dbraw/zinc/47/26/18/918472618.db2.gz NGTKOLJWULMINX-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001362171061 918472948 /nfs/dbraw/zinc/47/29/48/918472948.db2.gz FEDUWWAYDXLJKI-MXWKQRLJSA-N 1 1 309.374 -1.223 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001362193890 918474284 /nfs/dbraw/zinc/47/42/84/918474284.db2.gz CKJVMBNYDSZMAW-MXWKQRLJSA-N 1 1 317.411 -1.315 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001362207652 918478379 /nfs/dbraw/zinc/47/83/79/918478379.db2.gz KQOWOGNNXUCXOT-WFASDCNBSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001362233126 918482862 /nfs/dbraw/zinc/48/28/62/918482862.db2.gz DXOCRZHRNUGRGB-AXFHLTTASA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1-n1cnnc1 ZINC001362303925 918494241 /nfs/dbraw/zinc/49/42/41/918494241.db2.gz YAUWJGZQIKOYCP-ZDUSSCGKSA-N 1 1 305.342 -1.203 20 0 DAADMO CC1=C(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)Cn2nnnc2N1C ZINC001362317265 918496925 /nfs/dbraw/zinc/49/69/25/918496925.db2.gz CLAWDMTYFKWKDP-ZDUSSCGKSA-N 1 1 307.358 -1.420 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001362357931 918504079 /nfs/dbraw/zinc/50/40/79/918504079.db2.gz RBOMQTFAOFOTOJ-JTQLQIEISA-N 1 1 322.373 -1.980 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)C(N)=O ZINC001362381324 918511087 /nfs/dbraw/zinc/51/10/87/918511087.db2.gz YTGZIMSCZHTIOO-KOLCDFICSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C(N)=O ZINC001362381324 918511100 /nfs/dbraw/zinc/51/11/00/918511100.db2.gz YTGZIMSCZHTIOO-KOLCDFICSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001362382893 918511310 /nfs/dbraw/zinc/51/13/10/918511310.db2.gz FEDUWWAYDXLJKI-GARJFASQSA-N 1 1 309.374 -1.223 20 0 DAADMO C[NH+](C)[C@@]1(C(=O)NC[C@H](O)C(N)=O)COc2ccccc2C1 ZINC001362414804 918516821 /nfs/dbraw/zinc/51/68/21/918516821.db2.gz TYXSPWCPNHLHLW-XHDPSFHLSA-N 1 1 307.350 -1.116 20 0 DAADMO C[NH+](C)[C@]1(C(=O)NC[C@H](O)C(N)=O)COc2ccccc2C1 ZINC001362414797 918517083 /nfs/dbraw/zinc/51/70/83/918517083.db2.gz TYXSPWCPNHLHLW-NHYWBVRUSA-N 1 1 307.350 -1.116 20 0 DAADMO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001362456085 918525277 /nfs/dbraw/zinc/52/52/77/918525277.db2.gz RBTFWWVZHVCUAK-GFCCVEGCSA-N 1 1 320.411 -1.237 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC001362456085 918525297 /nfs/dbraw/zinc/52/52/97/918525297.db2.gz RBTFWWVZHVCUAK-GFCCVEGCSA-N 1 1 320.411 -1.237 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)nn1 ZINC001362456506 918525580 /nfs/dbraw/zinc/52/55/80/918525580.db2.gz CVMBXUXPMZSTIW-HZMBPMFUSA-N 1 1 323.353 -1.097 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)c3nccnc3C(N)=O)C2)CC1 ZINC001362477493 918530813 /nfs/dbraw/zinc/53/08/13/918530813.db2.gz GJNRQWJSXXMWBJ-UHFFFAOYSA-N 1 1 318.381 -1.105 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001362487967 918532526 /nfs/dbraw/zinc/53/25/26/918532526.db2.gz FWLCQWAAIFUFPN-GFCCVEGCSA-N 1 1 316.383 -1.296 20 0 DAADMO COCCn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1=O ZINC001362489172 918533492 /nfs/dbraw/zinc/53/34/92/918533492.db2.gz LOJAQGPAJBEFBS-AWEZNQCLSA-N 1 1 310.354 -1.314 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC1 ZINC001362509014 918536723 /nfs/dbraw/zinc/53/67/23/918536723.db2.gz GOYVBTYWNSJECL-MRVPVSSYSA-N 1 1 311.342 -1.001 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001362548236 918546485 /nfs/dbraw/zinc/54/64/85/918546485.db2.gz GKAXGVCJZJNRFV-NQBHXWOUSA-N 1 1 319.427 -1.031 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001362548257 918546856 /nfs/dbraw/zinc/54/68/56/918546856.db2.gz GKAXGVCJZJNRFV-WZRBSPASSA-N 1 1 319.427 -1.031 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCn1ncn(C)c1=O ZINC001362569588 918552536 /nfs/dbraw/zinc/55/25/36/918552536.db2.gz PVZZZPUTXBTYBV-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)C(N)=O ZINC001362570786 918552868 /nfs/dbraw/zinc/55/28/68/918552868.db2.gz VZJDUQRAEZMUML-SCVCMEIPSA-N 1 1 314.386 -1.720 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(S(N)(=O)=O)c2)C1 ZINC001362616114 918562118 /nfs/dbraw/zinc/56/21/18/918562118.db2.gz HCZLXPAJQWUGTG-LBPRGKRZSA-N 1 1 314.367 -1.475 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCCS(N)(=O)=O)[C@@H](C)C1 ZINC001362684819 918576526 /nfs/dbraw/zinc/57/65/26/918576526.db2.gz IQBDOYVPNJOXKB-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001362693491 918577283 /nfs/dbraw/zinc/57/72/83/918577283.db2.gz FPUQOLBIHDDWKU-SNVBAGLBSA-N 1 1 313.362 -2.392 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CC[NH+](C)CC1 ZINC001362696323 918579188 /nfs/dbraw/zinc/57/91/88/918579188.db2.gz URVHGMQSLYKXJF-WCQYABFASA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CC[NH+](C)CC1 ZINC001362696319 918579531 /nfs/dbraw/zinc/57/95/31/918579531.db2.gz URVHGMQSLYKXJF-AAEUAGOBSA-N 1 1 319.427 -1.712 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001362702611 918581489 /nfs/dbraw/zinc/58/14/89/918581489.db2.gz BSPDLZCWSDSLKH-QWHCGFSZSA-N 1 1 323.397 -1.153 20 0 DAADMO C[N@@H+](CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)[C@@H]1CCC[C@H]1O ZINC001362730203 918590339 /nfs/dbraw/zinc/59/03/39/918590339.db2.gz JIKMOZVDWNYUIF-GHMZBOCLSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H](O)c1cn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001362732567 918591659 /nfs/dbraw/zinc/59/16/59/918591659.db2.gz WBDASGNHSUCGHE-SECBINFHSA-N 1 1 310.358 -1.603 20 0 DAADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1nnc(N)n1 ZINC001362767655 918601599 /nfs/dbraw/zinc/60/15/99/918601599.db2.gz UMWWEWKNFBUNLG-SNVBAGLBSA-N 1 1 309.374 -1.033 20 0 DAADMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362771516 918602379 /nfs/dbraw/zinc/60/23/79/918602379.db2.gz BYELFKDTZVEEAI-JTQLQIEISA-N 1 1 310.358 -1.466 20 0 DAADMO C[C@@]1(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CCS(=O)(=O)N1 ZINC001362775085 918604145 /nfs/dbraw/zinc/60/41/45/918604145.db2.gz MTAPRMTYPNRBDX-NWDGAFQWSA-N 1 1 321.399 -2.075 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+](C)C1 ZINC001362784289 918604287 /nfs/dbraw/zinc/60/42/87/918604287.db2.gz HIQWLHYLFCLQDK-OUAUKWLOSA-N 1 1 313.354 -1.418 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+](C)C1 ZINC001362784289 918604303 /nfs/dbraw/zinc/60/43/03/918604303.db2.gz HIQWLHYLFCLQDK-OUAUKWLOSA-N 1 1 313.354 -1.418 20 0 DAADMO C[C@]1(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CCS(=O)(=O)N1 ZINC001362775091 918604483 /nfs/dbraw/zinc/60/44/83/918604483.db2.gz MTAPRMTYPNRBDX-VXGBXAGGSA-N 1 1 321.399 -2.075 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2c([nH]c1=O)CCOC2 ZINC001362776129 918604774 /nfs/dbraw/zinc/60/47/74/918604774.db2.gz OSOYJJNQZGWEFH-HNNXBMFYSA-N 1 1 323.349 -1.059 20 0 DAADMO COC(=O)N1CCC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001362776251 918605516 /nfs/dbraw/zinc/60/55/16/918605516.db2.gz PIESSTSXVNUASR-CQSZACIVSA-N 1 1 315.370 -1.068 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@@H+](C)C1 ZINC001362786941 918606988 /nfs/dbraw/zinc/60/69/88/918606988.db2.gz LOJMDXDWKJKKMP-DTWKUNHWSA-N 1 1 302.331 -2.421 20 0 DAADMO C[N@@H+]1CC[C@@](O)(CNC(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001362826402 918616983 /nfs/dbraw/zinc/61/69/83/918616983.db2.gz USZQHBNHSKSSBK-GFCCVEGCSA-N 1 1 306.384 -1.770 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001362826402 918616998 /nfs/dbraw/zinc/61/69/98/918616998.db2.gz USZQHBNHSKSSBK-GFCCVEGCSA-N 1 1 306.384 -1.770 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n1 ZINC001362829063 918619157 /nfs/dbraw/zinc/61/91/57/918619157.db2.gz DUQVOGFGDSRFKF-VHSXEESVSA-N 1 1 308.342 -1.956 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001362882787 918635492 /nfs/dbraw/zinc/63/54/92/918635492.db2.gz KYRNDBXWSAHWCS-UHFFFAOYSA-N 1 1 308.386 -1.210 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCNS(C)(=O)=O ZINC001362904113 918639622 /nfs/dbraw/zinc/63/96/22/918639622.db2.gz NELZLCWTYTXXKS-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001362947260 918651221 /nfs/dbraw/zinc/65/12/21/918651221.db2.gz WREYCKOZRMXVDO-MRVPVSSYSA-N 1 1 309.326 -1.742 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1=C(C)N(C)c2nnnn2C1 ZINC001363012122 918666400 /nfs/dbraw/zinc/66/64/00/918666400.db2.gz NJNAGHWQLQTGTG-UHFFFAOYSA-N 1 1 309.374 -1.173 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001363023131 918672076 /nfs/dbraw/zinc/67/20/76/918672076.db2.gz JQNSXBYREMSCQU-ZYHUDNBSSA-N 1 1 319.365 -1.340 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)[C@H]1CCSC1 ZINC001363048666 918679195 /nfs/dbraw/zinc/67/91/95/918679195.db2.gz MAAZFRVHHYBPTH-LPEHRKFASA-N 1 1 314.411 -1.531 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)C3(n4cnnn4)CC3)C2)CC1 ZINC001363069873 918685540 /nfs/dbraw/zinc/68/55/40/918685540.db2.gz WNTHVLGDJVLOBF-UHFFFAOYSA-N 1 1 305.386 -1.132 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1CC([NH+]2CCOCC2)C1)C(N)=O ZINC001363111046 918695446 /nfs/dbraw/zinc/69/54/46/918695446.db2.gz TXQQCESIYWEGCE-MCIGGMRASA-N 1 1 312.370 -1.654 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C2 ZINC001363122237 918700359 /nfs/dbraw/zinc/70/03/59/918700359.db2.gz MAGMTRUPZNJPIL-JLLWLGSASA-N 1 1 319.365 -1.201 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001363118126 918700564 /nfs/dbraw/zinc/70/05/64/918700564.db2.gz LMMYNYLDHDFNPU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001363149128 918704204 /nfs/dbraw/zinc/70/42/04/918704204.db2.gz YQJXERCAEZATSK-ZYHUDNBSSA-N 1 1 314.386 -1.273 20 0 DAADMO CS(=O)(=O)c1ccnc(NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001363154012 918709013 /nfs/dbraw/zinc/70/90/13/918709013.db2.gz IAHTWGAUQQPBEZ-NSHDSACASA-N 1 1 302.356 -1.357 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363173133 918711718 /nfs/dbraw/zinc/71/17/18/918711718.db2.gz JXKIQFPAIQAFRB-LBPRGKRZSA-N 1 1 321.399 -2.121 20 0 DAADMO COC(=O)c1cccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001363172733 918712488 /nfs/dbraw/zinc/71/24/88/918712488.db2.gz JOLYUDVMGFUFPU-AWEZNQCLSA-N 1 1 309.322 -1.051 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC001363178149 918713929 /nfs/dbraw/zinc/71/39/29/918713929.db2.gz QDIHRGHJNNWNMR-RISCZKNCSA-N 1 1 309.370 -1.384 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001363177541 918714631 /nfs/dbraw/zinc/71/46/31/918714631.db2.gz PFDQRPUIBYUVMR-ZANVPECISA-N 1 1 311.342 -1.987 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363175420 918715512 /nfs/dbraw/zinc/71/55/12/918715512.db2.gz NKNGYHHDNNJTKH-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001363201590 918720380 /nfs/dbraw/zinc/72/03/80/918720380.db2.gz ANVTUBYWXFKLNH-DTWKUNHWSA-N 1 1 320.371 -2.731 20 0 DAADMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001363213582 918725586 /nfs/dbraw/zinc/72/55/86/918725586.db2.gz WLBJYBWQYJVCJV-WDEREUQCSA-N 1 1 308.400 -1.358 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001363246922 918733583 /nfs/dbraw/zinc/73/35/83/918733583.db2.gz FLLZQDHNSQPGBG-GFCCVEGCSA-N 1 1 306.432 -1.477 20 0 DAADMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363248227 918734291 /nfs/dbraw/zinc/73/42/91/918734291.db2.gz YQCLJZZJYLEPNS-ZDUSSCGKSA-N 1 1 308.342 -1.169 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCCS1(=O)=O ZINC001363264507 918738871 /nfs/dbraw/zinc/73/88/71/918738871.db2.gz BKPFWQBAXPQTEB-PWSUYJOCSA-N 1 1 306.384 -1.579 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCCS1(=O)=O ZINC001363264513 918738932 /nfs/dbraw/zinc/73/89/32/918738932.db2.gz BKPFWQBAXPQTEB-ZYHUDNBSSA-N 1 1 306.384 -1.579 20 0 DAADMO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260626 918739141 /nfs/dbraw/zinc/73/91/41/918739141.db2.gz XMKSVQLGHXHCJQ-UWVGGRQHSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260626 918739152 /nfs/dbraw/zinc/73/91/52/918739152.db2.gz XMKSVQLGHXHCJQ-UWVGGRQHSA-N 1 1 324.381 -1.201 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCCS1(=O)=O ZINC001363264495 918739627 /nfs/dbraw/zinc/73/96/27/918739627.db2.gz BKPFWQBAXPQTEB-CMPLNLGQSA-N 1 1 306.384 -1.579 20 0 DAADMO NC(=O)[C@]1([NH2+]CC(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC001363265084 918739753 /nfs/dbraw/zinc/73/97/53/918739753.db2.gz XFUHCFZGCJQCDY-ZDUSSCGKSA-N 1 1 313.354 -1.414 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001363272682 918741358 /nfs/dbraw/zinc/74/13/58/918741358.db2.gz LFAWZCUYMMFSNE-CYBMUJFWSA-N 1 1 307.310 -1.256 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363268986 918741893 /nfs/dbraw/zinc/74/18/93/918741893.db2.gz HQOQENIKRDLXGB-CQSZACIVSA-N 1 1 316.402 -2.090 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1C ZINC001363273816 918742186 /nfs/dbraw/zinc/74/21/86/918742186.db2.gz MZTSGRVPBWYRCI-AWEZNQCLSA-N 1 1 311.338 -1.108 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363274565 918743906 /nfs/dbraw/zinc/74/39/06/918743906.db2.gz PBYXBDGYVJDNQC-NSHDSACASA-N 1 1 307.372 -2.511 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001363288770 918747983 /nfs/dbraw/zinc/74/79/83/918747983.db2.gz PWEZMDUWUZQJBT-SNVBAGLBSA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001363288770 918748001 /nfs/dbraw/zinc/74/80/01/918748001.db2.gz PWEZMDUWUZQJBT-SNVBAGLBSA-N 1 1 300.359 -2.236 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001363289694 918749794 /nfs/dbraw/zinc/74/97/94/918749794.db2.gz TVSILLULEOZUPF-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001363289694 918749805 /nfs/dbraw/zinc/74/98/05/918749805.db2.gz TVSILLULEOZUPF-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001363323254 918759228 /nfs/dbraw/zinc/75/92/28/918759228.db2.gz DTZNTDGRHKGWQY-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C(=O)OC ZINC001363329632 918761323 /nfs/dbraw/zinc/76/13/23/918761323.db2.gz JYWMEAFLCWUNMD-MNOVXSKESA-N 1 1 308.400 -1.429 20 0 DAADMO CNC(=O)C[N@@H+]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC001363331466 918761803 /nfs/dbraw/zinc/76/18/03/918761803.db2.gz VINJEJWWCSRBTH-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO CNC(=O)C[N@H+]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC001363331466 918761819 /nfs/dbraw/zinc/76/18/19/918761819.db2.gz VINJEJWWCSRBTH-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)CN3CCNC(=O)C3)C2)CC1 ZINC001363338056 918765580 /nfs/dbraw/zinc/76/55/80/918765580.db2.gz NTHCHWSRSMHOLM-UHFFFAOYSA-N 1 1 309.414 -1.876 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363370583 918768152 /nfs/dbraw/zinc/76/81/52/918768152.db2.gz CTBPFXOMPXBNNN-VHSXEESVSA-N 1 1 306.388 -2.292 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCN(C2C[NH+](C)C2)CC1)C(N)=O ZINC001363402644 918777821 /nfs/dbraw/zinc/77/78/21/918777821.db2.gz DSXXURYRDHZCOD-LBPRGKRZSA-N 1 1 311.386 -2.175 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC001363413831 918782103 /nfs/dbraw/zinc/78/21/03/918782103.db2.gz UXJJIOCHXUOXPI-SNVBAGLBSA-N 1 1 313.354 -1.680 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC(O)(C(N)=O)C2)C1 ZINC001363413831 918782117 /nfs/dbraw/zinc/78/21/17/918782117.db2.gz UXJJIOCHXUOXPI-SNVBAGLBSA-N 1 1 313.354 -1.680 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCN1CCCS1(=O)=O ZINC001363439490 918788277 /nfs/dbraw/zinc/78/82/77/918788277.db2.gz GYFZQEJYNOYJMP-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCN1CCCS1(=O)=O ZINC001363439490 918788283 /nfs/dbraw/zinc/78/82/83/918788283.db2.gz GYFZQEJYNOYJMP-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)[C@@H](C)C[N@@H+]1CCO ZINC001363448840 918791646 /nfs/dbraw/zinc/79/16/46/918791646.db2.gz IDPNXGVOFNSOKO-SFYZADRCSA-N 1 1 311.342 -1.003 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001363505690 918807591 /nfs/dbraw/zinc/80/75/91/918807591.db2.gz YPXGHOVHBSADCV-VIFPVBQESA-N 1 1 310.358 -1.662 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCCS(N)(=O)=O ZINC001363503692 918808027 /nfs/dbraw/zinc/80/80/27/918808027.db2.gz XABSYNVAKSBPND-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001363503215 918808520 /nfs/dbraw/zinc/80/85/20/918808520.db2.gz YRKNPTDJORMZKV-OAHLLOKOSA-N 1 1 319.361 -1.318 20 0 DAADMO C[N@H+](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)[C@@H]1CCC[C@H]1O ZINC001363509761 918809795 /nfs/dbraw/zinc/80/97/95/918809795.db2.gz BGYDAPFIMRYJNT-OUAUKWLOSA-N 1 1 310.358 -1.055 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)[C@@H]1CCC[C@H]1O ZINC001363509761 918809807 /nfs/dbraw/zinc/80/98/07/918809807.db2.gz BGYDAPFIMRYJNT-OUAUKWLOSA-N 1 1 310.358 -1.055 20 0 DAADMO C[C@H](Sc1nncn1C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363522797 918813136 /nfs/dbraw/zinc/81/31/36/918813136.db2.gz CEDYMQCBLYUZJE-JOYOIKCWSA-N 1 1 315.399 -1.237 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(-n2cncn2)nc1 ZINC001363523997 918813525 /nfs/dbraw/zinc/81/35/25/918813525.db2.gz GJUUQKLZACKLPB-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCC[C@H]2O ZINC001363525530 918816401 /nfs/dbraw/zinc/81/64/01/918816401.db2.gz MGHOCUWLWJSEIJ-OCCSQVGLSA-N 1 1 310.354 -1.209 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363532520 918819805 /nfs/dbraw/zinc/81/98/05/918819805.db2.gz BGGSJTWBQGWZEU-GARJFASQSA-N 1 1 305.400 -1.408 20 0 DAADMO CC1=C(C(=O)NC[C@@]2(CO)COCC[NH2+]2)S(=O)(=O)CCO1 ZINC001363529413 918819884 /nfs/dbraw/zinc/81/98/84/918819884.db2.gz UWZJBPKOGQJEPG-GFCCVEGCSA-N 1 1 320.367 -1.870 20 0 DAADMO CC1=C(C(=O)NC[C@]2(CO)COCC[NH2+]2)S(=O)(=O)CCO1 ZINC001363529417 918819911 /nfs/dbraw/zinc/81/99/11/918819911.db2.gz UWZJBPKOGQJEPG-LBPRGKRZSA-N 1 1 320.367 -1.870 20 0 DAADMO C[N@H+]1C[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C(C)(C)C1 ZINC001363589499 918834848 /nfs/dbraw/zinc/83/48/48/918834848.db2.gz BQGAQAPCYHSWQV-SNVBAGLBSA-N 1 1 315.399 -1.013 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363596935 918838004 /nfs/dbraw/zinc/83/80/04/918838004.db2.gz JSADEBRLLCCCNL-GFCCVEGCSA-N 1 1 323.415 -1.827 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363595395 918838140 /nfs/dbraw/zinc/83/81/40/918838140.db2.gz GZLOTRPTIRFOMZ-LBPRGKRZSA-N 1 1 323.415 -1.829 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccc(-n2ccnc2)nn1 ZINC001363598460 918840771 /nfs/dbraw/zinc/84/07/71/918840771.db2.gz NLWVTPMXMKHNNP-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO NC(=O)c1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(Cl)n1 ZINC001363733866 918867825 /nfs/dbraw/zinc/86/78/25/918867825.db2.gz AVDQRLUKTDILPD-LLVKDONJSA-N 1 1 301.734 -1.008 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001363751830 918869640 /nfs/dbraw/zinc/86/96/40/918869640.db2.gz ODWRCYCOBPYJJF-OLZOCXBDSA-N 1 1 318.443 -1.069 20 0 DAADMO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CN1CC[NH+](C)CC1 ZINC001363745941 918871827 /nfs/dbraw/zinc/87/18/27/918871827.db2.gz GHOAZMCRBDTGKT-LLVKDONJSA-N 1 1 312.370 -1.924 20 0 DAADMO CC1(C)[C@H](NC(=O)[C@H](CO)NC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC001363765442 918873389 /nfs/dbraw/zinc/87/33/89/918873389.db2.gz YLDWCOQDLQAPKQ-HBNTYKKESA-N 1 1 314.386 -1.369 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC001363776809 918877100 /nfs/dbraw/zinc/87/71/00/918877100.db2.gz GFFPGZYUGFPIHT-DGCLKSJQSA-N 1 1 319.427 -1.030 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC001363780747 918877827 /nfs/dbraw/zinc/87/78/27/918877827.db2.gz LHZLOCWRYGOZIV-GFCCVEGCSA-N 1 1 321.443 -1.442 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H](O)CS(C)(=O)=O)C1 ZINC001363809855 918884993 /nfs/dbraw/zinc/88/49/93/918884993.db2.gz JGPMILZPDOCLGF-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](C(=O)N[C@@H](CO)CC1OCCO1)N1CC[NH+](C)CC1 ZINC001363814467 918887226 /nfs/dbraw/zinc/88/72/26/918887226.db2.gz HXLLORSWRBPBDY-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO CS(=O)(=O)NC[C@H]1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001363824389 918891163 /nfs/dbraw/zinc/89/11/63/918891163.db2.gz IZDXBANCMMQZRV-NEPJUHHUSA-N 1 1 322.427 -1.240 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001363849025 918893568 /nfs/dbraw/zinc/89/35/68/918893568.db2.gz MTCQUTPADGGELP-WDEREUQCSA-N 1 1 320.415 -1.902 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001363939480 918910154 /nfs/dbraw/zinc/91/01/54/918910154.db2.gz KFJISWKIYMSWSH-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)CN3CCC(=O)NC3=O)CC2)C1 ZINC001363962090 918912416 /nfs/dbraw/zinc/91/24/16/918912416.db2.gz VPXXDEGRJFUZMB-UHFFFAOYSA-N 1 1 309.370 -1.614 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@@H]1CCOC(=O)N1 ZINC001363956841 918912464 /nfs/dbraw/zinc/91/24/64/918912464.db2.gz LEDAXKWHUSDRQR-COPLHBTASA-N 1 1 313.354 -1.173 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@H]1CCOC(=O)N1 ZINC001363956843 918913982 /nfs/dbraw/zinc/91/39/82/918913982.db2.gz LEDAXKWHUSDRQR-MISXGVKJSA-N 1 1 313.354 -1.173 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)C1 ZINC001363962766 918916250 /nfs/dbraw/zinc/91/62/50/918916250.db2.gz ZNHKBYXCLJPGMW-UHFFFAOYSA-N 1 1 307.358 -2.165 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)CCn1nc(C)oc1=O ZINC001363975130 918917126 /nfs/dbraw/zinc/91/71/26/918917126.db2.gz ZAIWNPHOBSDNLR-UHFFFAOYSA-N 1 1 322.387 -1.622 20 0 DAADMO COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)n[nH]1 ZINC001363976964 918918328 /nfs/dbraw/zinc/91/83/28/918918328.db2.gz KNWQEPIGCWTCPR-LLVKDONJSA-N 1 1 318.355 -1.459 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC001363981200 918919104 /nfs/dbraw/zinc/91/91/04/918919104.db2.gz KNDAUDBMWALJBZ-CYBMUJFWSA-N 1 1 320.459 -1.085 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)CCO)nnn1-c1cnn(C)c1 ZINC001364054832 918941279 /nfs/dbraw/zinc/94/12/79/918941279.db2.gz IQHDMNCZTLXNLA-UHFFFAOYSA-N 1 1 307.358 -1.037 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001364054920 918941385 /nfs/dbraw/zinc/94/13/85/918941385.db2.gz JTZYGOVKJPLSPK-UHFFFAOYSA-N 1 1 302.356 -1.617 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)nn1 ZINC001364068059 918944474 /nfs/dbraw/zinc/94/44/74/918944474.db2.gz KPYALKHFAOSVBD-NSHDSACASA-N 1 1 322.369 -1.565 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001364083594 918946529 /nfs/dbraw/zinc/94/65/29/918946529.db2.gz LMMYNYLDHDFNPU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001364147221 918956440 /nfs/dbraw/zinc/95/64/40/918956440.db2.gz KCTAQVSQARKHPU-CQSZACIVSA-N 1 1 320.353 -1.119 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001364189301 918958723 /nfs/dbraw/zinc/95/87/23/918958723.db2.gz JJGFPTGNKLXHBE-SECBINFHSA-N 1 1 301.372 -1.259 20 0 DAADMO NC(=O)CN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001364207435 918964880 /nfs/dbraw/zinc/96/48/80/918964880.db2.gz KBSHJFCDDVAWON-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364211115 918964952 /nfs/dbraw/zinc/96/49/52/918964952.db2.gz JNUGUZDMNSRYET-VHSXEESVSA-N 1 1 312.374 -1.838 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001364212077 918966550 /nfs/dbraw/zinc/96/65/50/918966550.db2.gz HABNIDGWAMTWSY-LLVKDONJSA-N 1 1 322.431 -1.320 20 0 DAADMO NC(=O)[C@H]1CC[C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)O1 ZINC001364230690 918968422 /nfs/dbraw/zinc/96/84/22/918968422.db2.gz ASMZNSUBIGSGEI-GMTAPVOTSA-N 1 1 300.359 -1.615 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001364250631 918974198 /nfs/dbraw/zinc/97/41/98/918974198.db2.gz YOCSICHGIJPSSW-LLVKDONJSA-N 1 1 320.415 -1.509 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001364250631 918974214 /nfs/dbraw/zinc/97/42/14/918974214.db2.gz YOCSICHGIJPSSW-LLVKDONJSA-N 1 1 320.415 -1.509 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364267328 918977236 /nfs/dbraw/zinc/97/72/36/918977236.db2.gz QZCFXLSXEKQLRR-ZJUUUORDSA-N 1 1 313.358 -1.675 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364267328 918977247 /nfs/dbraw/zinc/97/72/47/918977247.db2.gz QZCFXLSXEKQLRR-ZJUUUORDSA-N 1 1 313.358 -1.675 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1(S(N)(=O)=O)CC1 ZINC001364281630 918980799 /nfs/dbraw/zinc/98/07/99/918980799.db2.gz CGMRVKZXEZHRJF-UHFFFAOYSA-N 1 1 318.399 -1.960 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC001364358202 918995812 /nfs/dbraw/zinc/99/58/12/918995812.db2.gz NDRKEXIUUDHMHD-AGIUHOORSA-N 1 1 319.427 -1.304 20 0 DAADMO COCCn1nc(C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1=O ZINC001364354841 918996615 /nfs/dbraw/zinc/99/66/15/918996615.db2.gz FMHHAZGARPKPLX-NSHDSACASA-N 1 1 310.354 -1.314 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](O)C1)c1nc2ncc(CCO)cn2n1 ZINC001364355341 918996784 /nfs/dbraw/zinc/99/67/84/918996784.db2.gz KAFDBZLTIOQNJE-NSHDSACASA-N 1 1 320.353 -1.545 20 0 DAADMO CC1=C(C(=O)N2CC([NH2+]C3COC3)C2)Cn2nnnc2N1C ZINC001364361540 918997077 /nfs/dbraw/zinc/99/70/77/918997077.db2.gz IYAFDILJHSQUHQ-UHFFFAOYSA-N 1 1 305.342 -1.404 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)C1 ZINC001364382997 919001622 /nfs/dbraw/zinc/00/16/22/919001622.db2.gz MNWPQGBNPBWNAF-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)C1 ZINC001364382997 919001667 /nfs/dbraw/zinc/00/16/67/919001667.db2.gz MNWPQGBNPBWNAF-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)C1 ZINC001364382997 919001678 /nfs/dbraw/zinc/00/16/78/919001678.db2.gz MNWPQGBNPBWNAF-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001364386833 919003994 /nfs/dbraw/zinc/00/39/94/919003994.db2.gz NAXIHWSKGLDVCX-QJPTWQEYSA-N 1 1 308.400 -1.358 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001364386833 919004004 /nfs/dbraw/zinc/00/40/04/919004004.db2.gz NAXIHWSKGLDVCX-QJPTWQEYSA-N 1 1 308.400 -1.358 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(C(=O)C2CC2)CC1 ZINC001364417659 919007076 /nfs/dbraw/zinc/00/70/76/919007076.db2.gz MRKPXGFZVGINKO-STQMWFEESA-N 1 1 311.382 -1.648 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(c2cnccn2)CC1 ZINC001364436528 919010353 /nfs/dbraw/zinc/01/03/53/919010353.db2.gz YWLLSTQSQJOZRG-OLZOCXBDSA-N 1 1 321.381 -1.590 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)C1 ZINC001364434470 919011991 /nfs/dbraw/zinc/01/19/91/919011991.db2.gz TVCXVFDSESUGBG-BFHYXJOUSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)C1 ZINC001364434470 919012005 /nfs/dbraw/zinc/01/20/05/919012005.db2.gz TVCXVFDSESUGBG-BFHYXJOUSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(c2cnccn2)CC1 ZINC001364436530 919012461 /nfs/dbraw/zinc/01/24/61/919012461.db2.gz YWLLSTQSQJOZRG-STQMWFEESA-N 1 1 321.381 -1.590 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)N1CCN(c2cnccn2)CC1 ZINC001364436529 919013114 /nfs/dbraw/zinc/01/31/14/919013114.db2.gz YWLLSTQSQJOZRG-QWHCGFSZSA-N 1 1 321.381 -1.590 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C[C@H]1C(N)=O ZINC001364469093 919014079 /nfs/dbraw/zinc/01/40/79/919014079.db2.gz KEHMQJLOJWMQTI-GARJFASQSA-N 1 1 315.370 -2.203 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001364460747 919014310 /nfs/dbraw/zinc/01/43/10/919014310.db2.gz SFRPSAPXSLXOPS-UHFFFAOYSA-N 1 1 305.338 -1.316 20 0 DAADMO NS(=O)(=O)NC1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001364469916 919015094 /nfs/dbraw/zinc/01/50/94/919015094.db2.gz JNICINNQDQXFBY-VIFPVBQESA-N 1 1 311.429 -1.321 20 0 DAADMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)ncc1C(N)=O ZINC001364458490 919015809 /nfs/dbraw/zinc/01/58/09/919015809.db2.gz DVAQWSXLVPZGPG-UHFFFAOYSA-N 1 1 319.365 -1.007 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C[C@@H](O)c2ccccc2)C[C@H]1C(N)=O ZINC001364451666 919016228 /nfs/dbraw/zinc/01/62/28/919016228.db2.gz NAFKGWUJZKGWMR-YIYPIFLZSA-N 1 1 321.377 -1.010 20 0 DAADMO CC(=O)c1cn(CC(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001364460639 919016279 /nfs/dbraw/zinc/01/62/79/919016279.db2.gz RVAJPJXOOUEXAU-UHFFFAOYSA-N 1 1 308.342 -1.629 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1=CS(=O)(=O)CCC1 ZINC001364472491 919018286 /nfs/dbraw/zinc/01/82/86/919018286.db2.gz WEVZYAKBEFEDDV-GFCCVEGCSA-N 1 1 304.368 -1.454 20 0 DAADMO NC(=O)c1ccccc1NCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364470344 919018917 /nfs/dbraw/zinc/01/89/17/919018917.db2.gz BKXSDQWBLQTRHE-HNNXBMFYSA-N 1 1 322.365 -1.336 20 0 DAADMO CO[C@H]1C[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)[C@](C)(CO)C1 ZINC001364486723 919021170 /nfs/dbraw/zinc/02/11/70/919021170.db2.gz QAHFUDXLQVCCNK-RNCFNFMXSA-N 1 1 308.342 -1.029 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCn2cnnc2)cn1 ZINC001364500946 919024320 /nfs/dbraw/zinc/02/43/20/919024320.db2.gz NNQWOODIXIYQDI-UHFFFAOYSA-N 1 1 313.387 -1.078 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCn2cnnc2)cn1 ZINC001364500946 919024339 /nfs/dbraw/zinc/02/43/39/919024339.db2.gz NNQWOODIXIYQDI-UHFFFAOYSA-N 1 1 313.387 -1.078 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001364514997 919025374 /nfs/dbraw/zinc/02/53/74/919025374.db2.gz CSNDGACQPLIRLL-JTQLQIEISA-N 1 1 321.399 -1.382 20 0 DAADMO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001364514997 919025392 /nfs/dbraw/zinc/02/53/92/919025392.db2.gz CSNDGACQPLIRLL-JTQLQIEISA-N 1 1 321.399 -1.382 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530404 919027767 /nfs/dbraw/zinc/02/77/67/919027767.db2.gz NKJGFNOIXRRRMO-UONOGXRCSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530404 919027780 /nfs/dbraw/zinc/02/77/80/919027780.db2.gz NKJGFNOIXRRRMO-UONOGXRCSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530414 919028093 /nfs/dbraw/zinc/02/80/93/919028093.db2.gz NKJGFNOIXRRRMO-ZIAGYGMSSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364530414 919028109 /nfs/dbraw/zinc/02/81/09/919028109.db2.gz NKJGFNOIXRRRMO-ZIAGYGMSSA-N 1 1 302.371 -1.321 20 0 DAADMO CNC(=O)CN1CCC[N@H+](CCS(=O)(=O)N(C)C)CC1 ZINC001364519518 919029337 /nfs/dbraw/zinc/02/93/37/919029337.db2.gz UAGBPYAWRZZVSG-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](CCS(=O)(=O)N(C)C)CC1 ZINC001364519518 919029357 /nfs/dbraw/zinc/02/93/57/919029357.db2.gz UAGBPYAWRZZVSG-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001364548377 919030279 /nfs/dbraw/zinc/03/02/79/919030279.db2.gz HJGYZXDXFZDIFZ-GHMZBOCLSA-N 1 1 308.400 -1.501 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001364536330 919031196 /nfs/dbraw/zinc/03/11/96/919031196.db2.gz XWYYVWAFOJRXEX-MNOVXSKESA-N 1 1 322.431 -2.063 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001364548479 919032838 /nfs/dbraw/zinc/03/28/38/919032838.db2.gz HJGYZXDXFZDIFZ-QWRGUYRKSA-N 1 1 308.400 -1.501 20 0 DAADMO NC(=O)[C@H]1CC[C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)O1 ZINC001364562667 919033696 /nfs/dbraw/zinc/03/36/96/919033696.db2.gz ASMZNSUBIGSGEI-GARJFASQSA-N 1 1 300.359 -1.615 20 0 DAADMO CC[N@@H+](C)[C@@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001364570466 919034969 /nfs/dbraw/zinc/03/49/69/919034969.db2.gz VHSTUKKJDIKIRL-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)nn1 ZINC001364619942 919042946 /nfs/dbraw/zinc/04/29/46/919042946.db2.gz PTSNPULWFYLRAE-GFCCVEGCSA-N 1 1 310.314 -1.926 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC001364641724 919044817 /nfs/dbraw/zinc/04/48/17/919044817.db2.gz FBEZZJABSOJMFE-WDEREUQCSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC001364641724 919044831 /nfs/dbraw/zinc/04/48/31/919044831.db2.gz FBEZZJABSOJMFE-WDEREUQCSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)C1 ZINC001364641706 919045244 /nfs/dbraw/zinc/04/52/44/919045244.db2.gz FBEZZJABSOJMFE-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)C1 ZINC001364641706 919045258 /nfs/dbraw/zinc/04/52/58/919045258.db2.gz FBEZZJABSOJMFE-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001364660116 919047245 /nfs/dbraw/zinc/04/72/45/919047245.db2.gz YIGKIOVWQGOPSN-MCIONIFRSA-N 1 1 317.455 -1.144 20 0 DAADMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364665684 919048551 /nfs/dbraw/zinc/04/85/51/919048551.db2.gz RDAVLCOAZMNXHC-ZDUSSCGKSA-N 1 1 313.358 -1.054 20 0 DAADMO NC(=O)C1(O)CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001364689522 919051019 /nfs/dbraw/zinc/05/10/19/919051019.db2.gz LMARDZXCLVBQBG-UHFFFAOYSA-N 1 1 306.384 -1.762 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC001364729706 919057410 /nfs/dbraw/zinc/05/74/10/919057410.db2.gz MDZUOKTUAWLIJA-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC001364729706 919057425 /nfs/dbraw/zinc/05/74/25/919057425.db2.gz MDZUOKTUAWLIJA-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO CCCn1nccc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759234 919062546 /nfs/dbraw/zinc/06/25/46/919062546.db2.gz WTEHULXNXKVZDB-AOOOYVTPSA-N 1 1 322.369 -1.250 20 0 DAADMO CCCn1nccc1NC(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759234 919062563 /nfs/dbraw/zinc/06/25/63/919062563.db2.gz WTEHULXNXKVZDB-AOOOYVTPSA-N 1 1 322.369 -1.250 20 0 DAADMO O=S1(=O)CCC(O)(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001364846969 919081148 /nfs/dbraw/zinc/08/11/48/919081148.db2.gz WZSOWLVEVKGKGM-RYUDHWBXSA-N 1 1 307.412 -1.151 20 0 DAADMO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364923482 919100369 /nfs/dbraw/zinc/10/03/69/919100369.db2.gz COUMIDVEELWCKP-LLVKDONJSA-N 1 1 307.358 -1.063 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnc(N)nc1)[C@@H]1C[N@H+](C)CCN1C ZINC001364952783 919106406 /nfs/dbraw/zinc/10/64/06/919106406.db2.gz OVISUKIKUHWJRL-ONGXEEELSA-N 1 1 314.415 -1.029 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnc(N)nc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001364952783 919106413 /nfs/dbraw/zinc/10/64/13/919106413.db2.gz OVISUKIKUHWJRL-ONGXEEELSA-N 1 1 314.415 -1.029 20 0 DAADMO COC(=O)[C@@H]1[C@H](C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1(F)F ZINC001364987267 919112096 /nfs/dbraw/zinc/11/20/96/919112096.db2.gz VIZZAXUQFFGBBT-YWIQKCBGSA-N 1 1 305.281 -1.441 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001365051128 919117240 /nfs/dbraw/zinc/11/72/40/919117240.db2.gz PVILELHHVWQHRY-UHFFFAOYSA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N3CC([NH2+]C4COC4)C3)CC2=O)cn1 ZINC001365051111 919117830 /nfs/dbraw/zinc/11/78/30/919117830.db2.gz PGJNWONLSKXVFH-SNVBAGLBSA-N 1 1 319.365 -1.028 20 0 DAADMO O=C([C@H]1C[C@@H](O)CN1c1ccncn1)N1CC([NH2+]C2COC2)C1 ZINC001365051513 919118967 /nfs/dbraw/zinc/11/89/67/919118967.db2.gz YLQNHESYZGLEGY-CHWSQXEVSA-N 1 1 319.365 -1.385 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nnn(C)n2)CC1 ZINC001365077380 919122575 /nfs/dbraw/zinc/12/25/75/919122575.db2.gz OPQDEZVWIIOCGC-UHFFFAOYSA-N 1 1 310.362 -1.116 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001365109739 919123652 /nfs/dbraw/zinc/12/36/52/919123652.db2.gz NXEUUKZZQIBECI-NXEZZACHSA-N 1 1 313.358 -1.364 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001365098803 919124270 /nfs/dbraw/zinc/12/42/70/919124270.db2.gz DFWZTZCPLSXDLR-SECBINFHSA-N 1 1 307.358 -1.085 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001365106317 919124646 /nfs/dbraw/zinc/12/46/46/919124646.db2.gz WHZLOBZBGVCLOO-XQQFMLRXSA-N 1 1 300.403 -1.383 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CNC(=O)C2)CC[N@@H+](C)C1 ZINC001365200188 919140470 /nfs/dbraw/zinc/14/04/70/919140470.db2.gz HAXDVELXIZCNPA-WDEREUQCSA-N 1 1 312.370 -1.131 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001365222957 919143927 /nfs/dbraw/zinc/14/39/27/919143927.db2.gz QWNPSZZCXQOREN-LLVKDONJSA-N 1 1 311.390 -1.009 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(OCC(N)=O)CC1 ZINC001365287171 919152715 /nfs/dbraw/zinc/15/27/15/919152715.db2.gz OULKVLALLKEZPM-WDEREUQCSA-N 1 1 306.384 -1.235 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001365285299 919153233 /nfs/dbraw/zinc/15/32/33/919153233.db2.gz BBICTJDPVVEOLM-WDEREUQCSA-N 1 1 308.400 -1.358 20 0 DAADMO O=C1NCCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001365271993 919153849 /nfs/dbraw/zinc/15/38/49/919153849.db2.gz LWMPCELNWWEZBA-QJPTWQEYSA-N 1 1 317.411 -1.648 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)CC1 ZINC001365305854 919155348 /nfs/dbraw/zinc/15/53/48/919155348.db2.gz SQNWQZDGXYCNJW-RYUDHWBXSA-N 1 1 324.381 -1.035 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365304004 919157603 /nfs/dbraw/zinc/15/76/03/919157603.db2.gz GKFDUYQCZQAOAG-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001365319853 919158965 /nfs/dbraw/zinc/15/89/65/919158965.db2.gz WHGQEQZNIPHMCN-XSPKLOCKSA-N 1 1 305.356 -2.683 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C(N)=O ZINC001365319125 919159148 /nfs/dbraw/zinc/15/91/48/919159148.db2.gz VKINWQGNGSWIOO-PHIMTYICSA-N 1 1 305.338 -1.784 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)NC[C@@H](O)Cn1ccnn1 ZINC001365329395 919159972 /nfs/dbraw/zinc/15/99/72/919159972.db2.gz SWOAFAGBSLBIBZ-LLVKDONJSA-N 1 1 314.415 -1.013 20 0 DAADMO CCOC(=O)C[C@@H](O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001365321936 919160347 /nfs/dbraw/zinc/16/03/47/919160347.db2.gz NVPMPNPGVAUGPY-SECBINFHSA-N 1 1 322.383 -1.677 20 0 DAADMO CNC(=O)C[N@@H+]1CCCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001365332094 919162710 /nfs/dbraw/zinc/16/27/10/919162710.db2.gz RUUXKGKKHDOCEE-UHFFFAOYSA-N 1 1 319.369 -1.329 20 0 DAADMO CNC(=O)C[N@H+]1CCCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001365332094 919162732 /nfs/dbraw/zinc/16/27/32/919162732.db2.gz RUUXKGKKHDOCEE-UHFFFAOYSA-N 1 1 319.369 -1.329 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C[C@H]1CS(N)(=O)=O ZINC001365335454 919163053 /nfs/dbraw/zinc/16/30/53/919163053.db2.gz RETXEHXRHSQBTI-XQHKEYJVSA-N 1 1 322.427 -1.255 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001365332174 919163586 /nfs/dbraw/zinc/16/35/86/919163586.db2.gz AFYBMWINYIQREJ-QMMMGPOBSA-N 1 1 305.360 -2.334 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001365332174 919163598 /nfs/dbraw/zinc/16/35/98/919163598.db2.gz AFYBMWINYIQREJ-QMMMGPOBSA-N 1 1 305.360 -2.334 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@H]2C1 ZINC001365336167 919163625 /nfs/dbraw/zinc/16/36/25/919163625.db2.gz UKEXZWYEYGFWPO-TUAOUCFPSA-N 1 1 305.396 -1.135 20 0 DAADMO Cc1nn(CCS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(=O)o1 ZINC001365387089 919173409 /nfs/dbraw/zinc/17/34/09/919173409.db2.gz CHLFAYOMVHPZNL-LLVKDONJSA-N 1 1 320.371 -1.869 20 0 DAADMO Cc1nn(CCS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(=O)o1 ZINC001365387091 919174091 /nfs/dbraw/zinc/17/40/91/919174091.db2.gz CHLFAYOMVHPZNL-NSHDSACASA-N 1 1 320.371 -1.869 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001365409675 919177132 /nfs/dbraw/zinc/17/71/32/919177132.db2.gz ALLBHIZLSNUCOF-GHMZBOCLSA-N 1 1 320.415 -1.614 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCO)c(=O)[nH]c1=O ZINC001365459187 919190789 /nfs/dbraw/zinc/19/07/89/919190789.db2.gz QWYXCKYZOVSHPK-UHFFFAOYSA-N 1 1 306.344 -2.312 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)c(=O)[nH]c1=O ZINC001365459187 919190793 /nfs/dbraw/zinc/19/07/93/919190793.db2.gz QWYXCKYZOVSHPK-UHFFFAOYSA-N 1 1 306.344 -2.312 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCCNC2=O)C3)n1 ZINC001365525672 919196903 /nfs/dbraw/zinc/19/69/03/919196903.db2.gz DIACQWXGRYQNRS-JTQLQIEISA-N 1 1 319.369 -1.363 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC001365541945 919198508 /nfs/dbraw/zinc/19/85/08/919198508.db2.gz DPNRXQMSWMCIQF-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(CO)(CO)C1 ZINC001365558125 919199578 /nfs/dbraw/zinc/19/95/78/919199578.db2.gz OVQHXWZMBSELRV-GFCCVEGCSA-N 1 1 300.403 -1.382 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001365591836 919203158 /nfs/dbraw/zinc/20/31/58/919203158.db2.gz XMVQKDCGQHFJCP-WDEREUQCSA-N 1 1 322.431 -1.320 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2nnnn2CC1 ZINC001365649155 919207317 /nfs/dbraw/zinc/20/73/17/919207317.db2.gz QVRPWHJBMQNZCH-GHMZBOCLSA-N 1 1 309.374 -1.256 20 0 DAADMO CNC(=O)CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001365641386 919208014 /nfs/dbraw/zinc/20/80/14/919208014.db2.gz FWFDZNNQNVLKOO-UHFFFAOYSA-N 1 1 314.386 -1.087 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001365631868 919208218 /nfs/dbraw/zinc/20/82/18/919208218.db2.gz YSVXVRHVKDAQGU-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO C[NH+](C)CCNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001365671019 919214845 /nfs/dbraw/zinc/21/48/45/919214845.db2.gz UHUDNJMPHBGJGZ-UHFFFAOYSA-N 1 1 304.376 -1.290 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC001365695563 919218325 /nfs/dbraw/zinc/21/83/25/919218325.db2.gz XKMSBTVUYVGEMC-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001365708131 919223207 /nfs/dbraw/zinc/22/32/07/919223207.db2.gz GCAFKRQACHMMLQ-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001365708131 919223220 /nfs/dbraw/zinc/22/32/20/919223220.db2.gz GCAFKRQACHMMLQ-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1CC ZINC001365873917 919242332 /nfs/dbraw/zinc/24/23/32/919242332.db2.gz SXMIWNXKJSMBIZ-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1CC ZINC001365873917 919242345 /nfs/dbraw/zinc/24/23/45/919242345.db2.gz SXMIWNXKJSMBIZ-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001365869564 919242991 /nfs/dbraw/zinc/24/29/91/919242991.db2.gz AWFKIPQYPMHWPS-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnsn2)C1 ZINC001365869564 919243003 /nfs/dbraw/zinc/24/30/03/919243003.db2.gz AWFKIPQYPMHWPS-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001365874663 919243039 /nfs/dbraw/zinc/24/30/39/919243039.db2.gz XAUVMOSDAIITKL-FRRDWIJNSA-N 1 1 324.385 -1.539 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1C[C@H](O)COC ZINC001365873094 919243741 /nfs/dbraw/zinc/24/37/41/919243741.db2.gz QXFXDCQKKPVKCC-SDDRHHMPSA-N 1 1 312.374 -1.351 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001365873807 919244022 /nfs/dbraw/zinc/24/40/22/919244022.db2.gz QIPSFEODPLXHMK-MRVPVSSYSA-N 1 1 322.312 -1.268 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001365873807 919244035 /nfs/dbraw/zinc/24/40/35/919244035.db2.gz QIPSFEODPLXHMK-MRVPVSSYSA-N 1 1 322.312 -1.268 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001365932755 919245033 /nfs/dbraw/zinc/24/50/33/919245033.db2.gz CEZKDPGAQQZONQ-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001365907099 919245612 /nfs/dbraw/zinc/24/56/12/919245612.db2.gz LLXNIFOBBPEPQM-UHFFFAOYSA-N 1 1 322.427 -1.301 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001365918877 919246394 /nfs/dbraw/zinc/24/63/94/919246394.db2.gz HQAHIWLWOKGXLA-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365887569 919246902 /nfs/dbraw/zinc/24/69/02/919246902.db2.gz ZSHUCCKLARTDAS-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365887569 919246921 /nfs/dbraw/zinc/24/69/21/919246921.db2.gz ZSHUCCKLARTDAS-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001365896981 919247013 /nfs/dbraw/zinc/24/70/13/919247013.db2.gz DPMAOHDYPRURER-VIFPVBQESA-N 1 1 323.357 -1.074 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001365896981 919247029 /nfs/dbraw/zinc/24/70/29/919247029.db2.gz DPMAOHDYPRURER-VIFPVBQESA-N 1 1 323.357 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001365918881 919247767 /nfs/dbraw/zinc/24/77/67/919247767.db2.gz HQAHIWLWOKGXLA-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001365944751 919250425 /nfs/dbraw/zinc/25/04/25/919250425.db2.gz BRYDRBLMFQLCAH-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001365940865 919250703 /nfs/dbraw/zinc/25/07/03/919250703.db2.gz VGPXJXLKIZWYIV-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC001365942718 919251852 /nfs/dbraw/zinc/25/18/52/919251852.db2.gz JLVIUGQXDQQJMM-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@H](O)C[NH+]1CCN(CCNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001365963331 919254116 /nfs/dbraw/zinc/25/41/16/919254116.db2.gz RGNIIWLCRNJTAT-NSHDSACASA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001365968809 919257867 /nfs/dbraw/zinc/25/78/67/919257867.db2.gz BFZKPSOJJIYRIY-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971991 919258055 /nfs/dbraw/zinc/25/80/55/919258055.db2.gz CZXVPNNVWCKODH-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001365977039 919258810 /nfs/dbraw/zinc/25/88/10/919258810.db2.gz OKUDJTOXKPWATF-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979019 919259805 /nfs/dbraw/zinc/25/98/05/919259805.db2.gz OZWDVZCKKHBDMR-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979019 919259818 /nfs/dbraw/zinc/25/98/18/919259818.db2.gz OZWDVZCKKHBDMR-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001365966879 919259900 /nfs/dbraw/zinc/25/99/00/919259900.db2.gz PFZFATHLBLKWIW-JTQLQIEISA-N 1 1 310.354 -1.579 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001365966879 919259912 /nfs/dbraw/zinc/25/99/12/919259912.db2.gz PFZFATHLBLKWIW-JTQLQIEISA-N 1 1 310.354 -1.579 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365980143 919261374 /nfs/dbraw/zinc/26/13/74/919261374.db2.gz HYLQLNAGCVIAAB-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986580 919262524 /nfs/dbraw/zinc/26/25/24/919262524.db2.gz OFTAASQAINDILR-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986580 919262535 /nfs/dbraw/zinc/26/25/35/919262535.db2.gz OFTAASQAINDILR-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001365993992 919263038 /nfs/dbraw/zinc/26/30/38/919263038.db2.gz JIGIPYSACPSHHX-NXEZZACHSA-N 1 1 310.354 -1.075 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365983031 919263430 /nfs/dbraw/zinc/26/34/30/919263430.db2.gz LDBKAAPEUDUJMB-VHSXEESVSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365983031 919263444 /nfs/dbraw/zinc/26/34/44/919263444.db2.gz LDBKAAPEUDUJMB-VHSXEESVSA-N 1 1 311.386 -1.227 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001365989393 919265256 /nfs/dbraw/zinc/26/52/56/919265256.db2.gz CUJKHZGAPFRQDR-NWDGAFQWSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001365989393 919265265 /nfs/dbraw/zinc/26/52/65/919265265.db2.gz CUJKHZGAPFRQDR-NWDGAFQWSA-N 1 1 306.370 -1.173 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365988294 919265490 /nfs/dbraw/zinc/26/54/90/919265490.db2.gz YUJHBEWUOZWGMG-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365988294 919265504 /nfs/dbraw/zinc/26/55/04/919265504.db2.gz YUJHBEWUOZWGMG-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001365986663 919266328 /nfs/dbraw/zinc/26/63/28/919266328.db2.gz OKXKRBMOBJSHRM-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001365993826 919266522 /nfs/dbraw/zinc/26/65/22/919266522.db2.gz VZUAAOURHUQXIR-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001365993826 919266539 /nfs/dbraw/zinc/26/65/39/919266539.db2.gz VZUAAOURHUQXIR-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001366049631 919274401 /nfs/dbraw/zinc/27/44/01/919274401.db2.gz ODJNNKZZLIYVME-UWVGGRQHSA-N 1 1 307.358 -1.221 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNS(C)(=O)=O ZINC001366086203 919277145 /nfs/dbraw/zinc/27/71/45/919277145.db2.gz LABQGYYGSOQNKN-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001366075201 919277400 /nfs/dbraw/zinc/27/74/00/919277400.db2.gz FWLXLCVMFIBBSP-GHMZBOCLSA-N 1 1 311.386 -1.383 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366089726 919278550 /nfs/dbraw/zinc/27/85/50/919278550.db2.gz CPGDJWAITNNSMU-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001366093558 919279405 /nfs/dbraw/zinc/27/94/05/919279405.db2.gz RNQJXINFRSKCIG-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCn2ccnn2)C1 ZINC001366119824 919282804 /nfs/dbraw/zinc/28/28/04/919282804.db2.gz UWQBSUAJTIFMKS-MGCOHNPYSA-N 1 1 305.346 -1.371 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001366170936 919291267 /nfs/dbraw/zinc/29/12/67/919291267.db2.gz JNTIMURKZLHQQI-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001366161490 919291379 /nfs/dbraw/zinc/29/13/79/919291379.db2.gz JGUXCBJRIKDERN-XHNCKOQMSA-N 1 1 316.387 -1.620 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCNC(=O)NC)C1 ZINC001366175055 919292917 /nfs/dbraw/zinc/29/29/17/919292917.db2.gz WZSRVDYPTIMXIO-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001366177116 919293279 /nfs/dbraw/zinc/29/32/79/919293279.db2.gz YIMVOSLJPPDBJH-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C)O ZINC001366217135 919293459 /nfs/dbraw/zinc/29/34/59/919293459.db2.gz YBZQZIXRWHOFFP-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001366197822 919293643 /nfs/dbraw/zinc/29/36/43/919293643.db2.gz DAOUHYIADALPAL-VIFPVBQESA-N 1 1 321.403 -2.504 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001366197822 919293653 /nfs/dbraw/zinc/29/36/53/919293653.db2.gz DAOUHYIADALPAL-VIFPVBQESA-N 1 1 321.403 -2.504 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001366197418 919294558 /nfs/dbraw/zinc/29/45/58/919294558.db2.gz HVPWSASBAHTSGG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001366197418 919294576 /nfs/dbraw/zinc/29/45/76/919294576.db2.gz HVPWSASBAHTSGG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001366217641 919295058 /nfs/dbraw/zinc/29/50/58/919295058.db2.gz ZHQSEEJCBUYKMQ-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001366217641 919295070 /nfs/dbraw/zinc/29/50/70/919295070.db2.gz ZHQSEEJCBUYKMQ-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001366235905 919296142 /nfs/dbraw/zinc/29/61/42/919296142.db2.gz OELLFAVMFIWXHF-OQEOFVATSA-N 1 1 314.386 -1.513 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1COC(=O)C1 ZINC001366231326 919296249 /nfs/dbraw/zinc/29/62/49/919296249.db2.gz DSDJASJLXUMQTA-TVEHIPJCSA-N 1 1 312.366 -1.007 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366252672 919297393 /nfs/dbraw/zinc/29/73/93/919297393.db2.gz PBHYODUZXDHBSN-NXEZZACHSA-N 1 1 324.385 -1.073 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001366232601 919297656 /nfs/dbraw/zinc/29/76/56/919297656.db2.gz KXRUCFCYSOKZGC-BQSNPHCVSA-N 1 1 308.382 -1.212 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233568 919299548 /nfs/dbraw/zinc/29/95/48/919299548.db2.gz QJCQMRPCMMRVCG-HTFKAIDBSA-N 1 1 324.337 -1.963 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001366233568 919299563 /nfs/dbraw/zinc/29/95/63/919299563.db2.gz QJCQMRPCMMRVCG-HTFKAIDBSA-N 1 1 324.337 -1.963 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001366281994 919300216 /nfs/dbraw/zinc/30/02/16/919300216.db2.gz NCIOATGBXCFIPA-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cnn(C)n2)nn1 ZINC001366270981 919300464 /nfs/dbraw/zinc/30/04/64/919300464.db2.gz ALMNYFJUCQIPQL-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2cnn(C)n2)nn1 ZINC001366270977 919303559 /nfs/dbraw/zinc/30/35/59/919303559.db2.gz ALMNYFJUCQIPQL-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)nc1 ZINC001366299072 919304401 /nfs/dbraw/zinc/30/44/01/919304401.db2.gz RGPQTZVWWYRGHI-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001366286881 919306453 /nfs/dbraw/zinc/30/64/53/919306453.db2.gz VQARYOOURWUUCL-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1nnnn1C ZINC001366286946 919306686 /nfs/dbraw/zinc/30/66/86/919306686.db2.gz VTMGIKLKVZOAJQ-SECBINFHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1nnnn1C ZINC001366304746 919308536 /nfs/dbraw/zinc/30/85/36/919308536.db2.gz XXBCBVWZCGFAAA-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1nnnn1C ZINC001366304744 919308871 /nfs/dbraw/zinc/30/88/71/919308871.db2.gz XXBCBVWZCGFAAA-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nccs1 ZINC001366307991 919308905 /nfs/dbraw/zinc/30/89/05/919308905.db2.gz PWKGIHNEIYYYEM-MRVPVSSYSA-N 1 1 321.428 -1.209 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001366339787 919311660 /nfs/dbraw/zinc/31/16/60/919311660.db2.gz SSQRVTACCAWQAP-ZMLRMANQSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001366339195 919312191 /nfs/dbraw/zinc/31/21/91/919312191.db2.gz UUGTUHPTQJCPLA-MRVPVSSYSA-N 1 1 304.376 -1.596 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001366339195 919312207 /nfs/dbraw/zinc/31/22/07/919312207.db2.gz UUGTUHPTQJCPLA-MRVPVSSYSA-N 1 1 304.376 -1.596 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001366327490 919314579 /nfs/dbraw/zinc/31/45/79/919314579.db2.gz HDSAHJPFXUYBDE-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001366350957 919316783 /nfs/dbraw/zinc/31/67/83/919316783.db2.gz RTYSPVLYNQQFPE-SFYZADRCSA-N 1 1 309.330 -1.993 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nccc(C)n1 ZINC001366364771 919317331 /nfs/dbraw/zinc/31/73/31/919317331.db2.gz LNHFTZDDCAKWBR-SNVBAGLBSA-N 1 1 315.399 -1.071 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1nnnn1C ZINC001366355010 919317742 /nfs/dbraw/zinc/31/77/42/919317742.db2.gz HKCWUESPINCELZ-QMMMGPOBSA-N 1 1 319.391 -2.304 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001366378670 919319532 /nfs/dbraw/zinc/31/95/32/919319532.db2.gz FVFQGUILNCIXQP-ZJUUUORDSA-N 1 1 324.389 -1.219 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001366439294 919330152 /nfs/dbraw/zinc/33/01/52/919330152.db2.gz UQODMEWFRBTRBJ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001366439294 919330168 /nfs/dbraw/zinc/33/01/68/919330168.db2.gz UQODMEWFRBTRBJ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001366460709 919330745 /nfs/dbraw/zinc/33/07/45/919330745.db2.gz CWHUFISDBOVDDM-DTWKUNHWSA-N 1 1 312.378 -1.359 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001366505882 919334015 /nfs/dbraw/zinc/33/40/15/919334015.db2.gz PAALFNQTOMSKSJ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001366505882 919334030 /nfs/dbraw/zinc/33/40/30/919334030.db2.gz PAALFNQTOMSKSJ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cncnc1 ZINC001366521035 919335606 /nfs/dbraw/zinc/33/56/06/919335606.db2.gz RAVGOOMRWOABEO-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cncnc1 ZINC001366521035 919335624 /nfs/dbraw/zinc/33/56/24/919335624.db2.gz RAVGOOMRWOABEO-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1ncc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)[nH]1 ZINC001366517189 919335834 /nfs/dbraw/zinc/33/58/34/919335834.db2.gz DHXDNEMRBMQNQN-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)[nH]1 ZINC001366517189 919335848 /nfs/dbraw/zinc/33/58/48/919335848.db2.gz DHXDNEMRBMQNQN-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO C[N@H+](CCNC(=O)c1cccn2nnnc12)[C@H]1CCNC1=O ZINC001366534688 919336733 /nfs/dbraw/zinc/33/67/33/919336733.db2.gz JVZXOOLFVQWOBN-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccn2nnnc12)[C@H]1CCNC1=O ZINC001366534688 919336749 /nfs/dbraw/zinc/33/67/49/919336749.db2.gz JVZXOOLFVQWOBN-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366520938 919337012 /nfs/dbraw/zinc/33/70/12/919337012.db2.gz JEXBUNBHEPVRGT-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366520938 919337032 /nfs/dbraw/zinc/33/70/32/919337032.db2.gz JEXBUNBHEPVRGT-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001366532241 919337517 /nfs/dbraw/zinc/33/75/17/919337517.db2.gz WCKOEXHHYYSGBG-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001366532241 919337536 /nfs/dbraw/zinc/33/75/36/919337536.db2.gz WCKOEXHHYYSGBG-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001366534476 919337578 /nfs/dbraw/zinc/33/75/78/919337578.db2.gz BTMHESWWZPABFB-SNVBAGLBSA-N 1 1 322.431 -1.356 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001366534476 919337596 /nfs/dbraw/zinc/33/75/96/919337596.db2.gz BTMHESWWZPABFB-SNVBAGLBSA-N 1 1 322.431 -1.356 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001366521430 919337906 /nfs/dbraw/zinc/33/79/06/919337906.db2.gz UAZSNNHEJQJTTM-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001366521430 919337923 /nfs/dbraw/zinc/33/79/23/919337923.db2.gz UAZSNNHEJQJTTM-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001366522225 919338132 /nfs/dbraw/zinc/33/81/32/919338132.db2.gz WSPXGAXFRLBVLU-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001366522225 919338143 /nfs/dbraw/zinc/33/81/43/919338143.db2.gz WSPXGAXFRLBVLU-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001366528089 919338493 /nfs/dbraw/zinc/33/84/93/919338493.db2.gz IAICSLBZINHSCG-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001366528089 919338502 /nfs/dbraw/zinc/33/85/02/919338502.db2.gz IAICSLBZINHSCG-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001366530587 919338586 /nfs/dbraw/zinc/33/85/86/919338586.db2.gz QBVWPAFFDRAQPF-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001366530587 919338598 /nfs/dbraw/zinc/33/85/98/919338598.db2.gz QBVWPAFFDRAQPF-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc(OC)no1 ZINC001366520437 919338709 /nfs/dbraw/zinc/33/87/09/919338709.db2.gz OTJCOTUKLCIKHG-UHFFFAOYSA-N 1 1 313.314 -1.200 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc(OC)no1 ZINC001366520437 919338716 /nfs/dbraw/zinc/33/87/16/919338716.db2.gz OTJCOTUKLCIKHG-UHFFFAOYSA-N 1 1 313.314 -1.200 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001366516674 919338900 /nfs/dbraw/zinc/33/89/00/919338900.db2.gz RQQABILEGLNOIP-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001366516674 919338918 /nfs/dbraw/zinc/33/89/18/919338918.db2.gz RQQABILEGLNOIP-MRVPVSSYSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001366523994 919339502 /nfs/dbraw/zinc/33/95/02/919339502.db2.gz TXYHQTIMJSOYKT-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)c1C ZINC001366523994 919339509 /nfs/dbraw/zinc/33/95/09/919339509.db2.gz TXYHQTIMJSOYKT-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001366524359 919339589 /nfs/dbraw/zinc/33/95/89/919339589.db2.gz JFSFQTNJJCDTFW-VHSXEESVSA-N 1 1 319.383 -1.423 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001366524359 919339609 /nfs/dbraw/zinc/33/96/09/919339609.db2.gz JFSFQTNJJCDTFW-VHSXEESVSA-N 1 1 319.383 -1.423 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001366551465 919340941 /nfs/dbraw/zinc/34/09/41/919340941.db2.gz UMGLKOVPFPTMQS-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)CCN1CCNC1=O ZINC001366539603 919340983 /nfs/dbraw/zinc/34/09/83/919340983.db2.gz JXCRFYREEGODEO-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001366540734 919341964 /nfs/dbraw/zinc/34/19/64/919341964.db2.gz YDFNQVZBMUYBLD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001366540734 919341981 /nfs/dbraw/zinc/34/19/81/919341981.db2.gz YDFNQVZBMUYBLD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cn1nccc1CC[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366556056 919342301 /nfs/dbraw/zinc/34/23/01/919342301.db2.gz CWNFWJYDCCRBEV-UHFFFAOYSA-N 1 1 322.413 -1.558 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cncn1C ZINC001366544216 919343190 /nfs/dbraw/zinc/34/31/90/919343190.db2.gz INHUCGHXPOZHJM-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cncn1C ZINC001366544216 919343206 /nfs/dbraw/zinc/34/32/06/919343206.db2.gz INHUCGHXPOZHJM-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001366552158 919343257 /nfs/dbraw/zinc/34/32/57/919343257.db2.gz TXKSBKDTNGKFOR-NEPJUHHUSA-N 1 1 316.402 -1.168 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001366542691 919343680 /nfs/dbraw/zinc/34/36/80/919343680.db2.gz YLQGWZFNSVLHIM-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001366552160 919344545 /nfs/dbraw/zinc/34/45/45/919344545.db2.gz TXKSBKDTNGKFOR-RYUDHWBXSA-N 1 1 316.402 -1.168 20 0 DAADMO Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c(=O)[nH]1 ZINC001366566286 919345953 /nfs/dbraw/zinc/34/59/53/919345953.db2.gz FFWXJZXDWVDTBE-UHFFFAOYSA-N 1 1 309.326 -1.048 20 0 DAADMO Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c(=O)[nH]1 ZINC001366566286 919345971 /nfs/dbraw/zinc/34/59/71/919345971.db2.gz FFWXJZXDWVDTBE-UHFFFAOYSA-N 1 1 309.326 -1.048 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001366568131 919346017 /nfs/dbraw/zinc/34/60/17/919346017.db2.gz NEBZJKGCVARPPW-SECBINFHSA-N 1 1 309.370 -1.114 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001366568131 919346031 /nfs/dbraw/zinc/34/60/31/919346031.db2.gz NEBZJKGCVARPPW-SECBINFHSA-N 1 1 309.370 -1.114 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001366567247 919347199 /nfs/dbraw/zinc/34/71/99/919347199.db2.gz LCOLKVUFWKTADL-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001366567247 919347215 /nfs/dbraw/zinc/34/72/15/919347215.db2.gz LCOLKVUFWKTADL-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001366577165 919347847 /nfs/dbraw/zinc/34/78/47/919347847.db2.gz XUWSCSXPDQNAST-SNVBAGLBSA-N 1 1 308.342 -1.207 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CCN1CCNC1=O ZINC001366573584 919348329 /nfs/dbraw/zinc/34/83/29/919348329.db2.gz JGKIIDWRAMOWIP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001366562112 919348894 /nfs/dbraw/zinc/34/88/94/919348894.db2.gz YCZMZWOIQAOMTG-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001366562112 919348916 /nfs/dbraw/zinc/34/89/16/919348916.db2.gz YCZMZWOIQAOMTG-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001366588641 919350476 /nfs/dbraw/zinc/35/04/76/919350476.db2.gz WVHOCXFZHWQXTI-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001366588641 919350488 /nfs/dbraw/zinc/35/04/88/919350488.db2.gz WVHOCXFZHWQXTI-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001366591142 919350802 /nfs/dbraw/zinc/35/08/02/919350802.db2.gz QGFKWMPBBKJZEY-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001366591142 919350816 /nfs/dbraw/zinc/35/08/16/919350816.db2.gz QGFKWMPBBKJZEY-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001366587448 919350851 /nfs/dbraw/zinc/35/08/51/919350851.db2.gz UORWYAGFYNLACD-VIFPVBQESA-N 1 1 311.342 -1.756 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)CCS(C)(=O)=O)C1 ZINC001366591222 919351211 /nfs/dbraw/zinc/35/12/11/919351211.db2.gz LCKHCCJEWNYZKQ-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)CCS(C)(=O)=O)C1 ZINC001366591222 919351227 /nfs/dbraw/zinc/35/12/27/919351227.db2.gz LCKHCCJEWNYZKQ-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO C[C@@H]1CC[C@H](C[N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001366597644 919352254 /nfs/dbraw/zinc/35/22/54/919352254.db2.gz TUDHMVGWCFNQGR-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)Cn2cnnn2)C1=O ZINC001366601652 919352299 /nfs/dbraw/zinc/35/22/99/919352299.db2.gz XVJNBVFAUOZJJP-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(=O)NC ZINC001366604433 919353488 /nfs/dbraw/zinc/35/34/88/919353488.db2.gz KTTMTVIMEJJCNI-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(=O)NC ZINC001366604433 919353508 /nfs/dbraw/zinc/35/35/08/919353508.db2.gz KTTMTVIMEJJCNI-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001366583706 919353622 /nfs/dbraw/zinc/35/36/22/919353622.db2.gz BNVNRGYNJIXIIK-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)NC1CC1 ZINC001366619058 919355666 /nfs/dbraw/zinc/35/56/66/919355666.db2.gz DELFITUHAPDENC-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)NC1CC1 ZINC001366619058 919355681 /nfs/dbraw/zinc/35/56/81/919355681.db2.gz DELFITUHAPDENC-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn2nc(C)cc2[nH]c1=O)CC(N)=O ZINC001366634010 919356626 /nfs/dbraw/zinc/35/66/26/919356626.db2.gz NBGBRYSQWJFJFI-UHFFFAOYSA-N 1 1 320.353 -1.132 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn2nc(C)cc2[nH]c1=O)CC(N)=O ZINC001366634010 919356640 /nfs/dbraw/zinc/35/66/40/919356640.db2.gz NBGBRYSQWJFJFI-UHFFFAOYSA-N 1 1 320.353 -1.132 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CCNC(=O)C1CC1 ZINC001366630200 919357898 /nfs/dbraw/zinc/35/78/98/919357898.db2.gz SAVIYVNYAFPDBW-UHFFFAOYSA-N 1 1 309.374 -1.212 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)CC(N)=O ZINC001366611747 919357945 /nfs/dbraw/zinc/35/79/45/919357945.db2.gz IBJWSBQOIFMPAM-UHFFFAOYSA-N 1 1 311.342 -2.530 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)CC(N)=O ZINC001366611747 919357960 /nfs/dbraw/zinc/35/79/60/919357960.db2.gz IBJWSBQOIFMPAM-UHFFFAOYSA-N 1 1 311.342 -2.530 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCNC(N)=O ZINC001366666680 919360176 /nfs/dbraw/zinc/36/01/76/919360176.db2.gz BWTIZOQPVTZAIW-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001366663030 919361166 /nfs/dbraw/zinc/36/11/66/919361166.db2.gz PWTKWDWDYAIHAJ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001366658125 919361441 /nfs/dbraw/zinc/36/14/41/919361441.db2.gz UVIFWHKOOXUWAV-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001366658125 919361456 /nfs/dbraw/zinc/36/14/56/919361456.db2.gz UVIFWHKOOXUWAV-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)OC ZINC001366647360 919361694 /nfs/dbraw/zinc/36/16/94/919361694.db2.gz AGMWKUOWMKOJKU-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366653135 919361797 /nfs/dbraw/zinc/36/17/97/919361797.db2.gz BQXNRVDEDBMKQR-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366653135 919361811 /nfs/dbraw/zinc/36/18/11/919361811.db2.gz BQXNRVDEDBMKQR-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001366674849 919362371 /nfs/dbraw/zinc/36/23/71/919362371.db2.gz XABNFVNFWQDIML-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001366674849 919362388 /nfs/dbraw/zinc/36/23/88/919362388.db2.gz XABNFVNFWQDIML-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)O ZINC001366654979 919362855 /nfs/dbraw/zinc/36/28/55/919362855.db2.gz DQUTVFKCUTWLDU-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[N@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)NC ZINC001366643138 919363071 /nfs/dbraw/zinc/36/30/71/919363071.db2.gz ASWYXIWNSZIJEX-UHFFFAOYSA-N 1 1 308.342 -1.627 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)NC ZINC001366643138 919363087 /nfs/dbraw/zinc/36/30/87/919363087.db2.gz ASWYXIWNSZIJEX-UHFFFAOYSA-N 1 1 308.342 -1.627 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001366658126 919363369 /nfs/dbraw/zinc/36/33/69/919363369.db2.gz UVIFWHKOOXUWAV-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001366658126 919363382 /nfs/dbraw/zinc/36/33/82/919363382.db2.gz UVIFWHKOOXUWAV-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001366677661 919363750 /nfs/dbraw/zinc/36/37/50/919363750.db2.gz YQGUQAOAERCZCV-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001366677661 919363760 /nfs/dbraw/zinc/36/37/60/919363760.db2.gz YQGUQAOAERCZCV-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366691663 919365027 /nfs/dbraw/zinc/36/50/27/919365027.db2.gz LERMRHZDLLNUPF-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nnn1C ZINC001366693729 919365280 /nfs/dbraw/zinc/36/52/80/919365280.db2.gz SZCZIAVKJWTMIG-SECBINFHSA-N 1 1 323.357 -1.630 20 0 DAADMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nnn1C ZINC001366693729 919365298 /nfs/dbraw/zinc/36/52/98/919365298.db2.gz SZCZIAVKJWTMIG-SECBINFHSA-N 1 1 323.357 -1.630 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001366684406 919365589 /nfs/dbraw/zinc/36/55/89/919365589.db2.gz GPWOCUGIKVRSQT-ZIAGYGMSSA-N 1 1 315.414 -1.236 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)NC)C1 ZINC001366688680 919365931 /nfs/dbraw/zinc/36/59/31/919365931.db2.gz VOSWSSADHISTHU-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001366693681 919367381 /nfs/dbraw/zinc/36/73/81/919367381.db2.gz OODKKTPLWMNQOJ-SECBINFHSA-N 1 1 324.345 -2.433 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366681492 919367687 /nfs/dbraw/zinc/36/76/87/919367687.db2.gz OOHDKHXJQJTDAH-GFCCVEGCSA-N 1 1 311.386 -1.414 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001366688584 919369532 /nfs/dbraw/zinc/36/95/32/919369532.db2.gz KLXLUCHZNIQBHX-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001366751991 919370443 /nfs/dbraw/zinc/37/04/43/919370443.db2.gz CZNDFEOUPQJRFW-ZDUSSCGKSA-N 1 1 316.333 -1.110 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001366751991 919370456 /nfs/dbraw/zinc/37/04/56/919370456.db2.gz CZNDFEOUPQJRFW-ZDUSSCGKSA-N 1 1 316.333 -1.110 20 0 DAADMO COC[C@H](O)C[N@H+](CCNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001366744044 919371176 /nfs/dbraw/zinc/37/11/76/919371176.db2.gz HEWPJXOTLJRJTC-GFCCVEGCSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001366744044 919371190 /nfs/dbraw/zinc/37/11/90/919371190.db2.gz HEWPJXOTLJRJTC-GFCCVEGCSA-N 1 1 320.411 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001366743095 919371345 /nfs/dbraw/zinc/37/13/45/919371345.db2.gz CAUASTWFMLVNIJ-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001366743095 919371357 /nfs/dbraw/zinc/37/13/57/919371357.db2.gz CAUASTWFMLVNIJ-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001366734430 919371576 /nfs/dbraw/zinc/37/15/76/919371576.db2.gz RVEKWKAJHJLFLL-KBPBESRZSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001366703001 919373870 /nfs/dbraw/zinc/37/38/70/919373870.db2.gz WUOBAKSPFGFCKO-LBPRGKRZSA-N 1 1 311.386 -1.208 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001366734440 919374380 /nfs/dbraw/zinc/37/43/80/919374380.db2.gz RVEKWKAJHJLFLL-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCNC(=O)C1)c1nnnn1C ZINC001366768812 919375876 /nfs/dbraw/zinc/37/58/76/919375876.db2.gz KCQGMLZSUCHSOY-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCNC(=O)C1)c1nnnn1C ZINC001366768808 919378631 /nfs/dbraw/zinc/37/86/31/919378631.db2.gz KCQGMLZSUCHSOY-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001366758467 919378938 /nfs/dbraw/zinc/37/89/38/919378938.db2.gz FYYXICJMDOTUAB-UHFFFAOYSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001366758467 919378951 /nfs/dbraw/zinc/37/89/51/919378951.db2.gz FYYXICJMDOTUAB-UHFFFAOYSA-N 1 1 309.370 -1.336 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NCC[N@@H+](CCO)C1CC1 ZINC001366759917 919379006 /nfs/dbraw/zinc/37/90/06/919379006.db2.gz IMWARVOEIQAISB-UHFFFAOYSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NCC[N@H+](CCO)C1CC1 ZINC001366759917 919379019 /nfs/dbraw/zinc/37/90/19/919379019.db2.gz IMWARVOEIQAISB-UHFFFAOYSA-N 1 1 319.427 -1.710 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CNC(C)=O)C1 ZINC001366827714 919381635 /nfs/dbraw/zinc/38/16/35/919381635.db2.gz PZCIACMQNZBTSB-OLZOCXBDSA-N 1 1 301.387 -1.042 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001366799083 919382894 /nfs/dbraw/zinc/38/28/94/919382894.db2.gz HEMOPECHAODFLT-PHIMTYICSA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366861156 919384667 /nfs/dbraw/zinc/38/46/67/919384667.db2.gz OIHVXGMFBUHKJZ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366836127 919386492 /nfs/dbraw/zinc/38/64/92/919386492.db2.gz PLPVXBMNMZNNRU-GHMZBOCLSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366836127 919386505 /nfs/dbraw/zinc/38/65/05/919386505.db2.gz PLPVXBMNMZNNRU-GHMZBOCLSA-N 1 1 321.385 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001366845313 919387280 /nfs/dbraw/zinc/38/72/80/919387280.db2.gz YYEJELCNYMWWKD-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366864763 919389028 /nfs/dbraw/zinc/38/90/28/919389028.db2.gz FUVXZRAFFYMIOS-NSHDSACASA-N 1 1 310.354 -1.279 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001366894266 919389546 /nfs/dbraw/zinc/38/95/46/919389546.db2.gz VNWPLZCGRWSOSH-GHMZBOCLSA-N 1 1 310.354 -1.029 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001366863685 919390247 /nfs/dbraw/zinc/39/02/47/919390247.db2.gz DERRSMJYHBABMF-SNVBAGLBSA-N 1 1 320.415 -1.679 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001366888971 919392844 /nfs/dbraw/zinc/39/28/44/919392844.db2.gz UCHIKAQIAYGKJE-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001366888971 919392862 /nfs/dbraw/zinc/39/28/62/919392862.db2.gz UCHIKAQIAYGKJE-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001366907060 919393900 /nfs/dbraw/zinc/39/39/00/919393900.db2.gz GLOJVSXFWPFROK-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001366925553 919398399 /nfs/dbraw/zinc/39/83/99/919398399.db2.gz QKBYCXUFVUNALV-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366962179 919408628 /nfs/dbraw/zinc/40/86/28/919408628.db2.gz KBJOWNYTIDTINM-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001366961025 919409077 /nfs/dbraw/zinc/40/90/77/919409077.db2.gz NFSUZSWPWIUQAV-JTQLQIEISA-N 1 1 313.402 -1.042 20 0 DAADMO O=C(CN1CCOCC1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001366960459 919411544 /nfs/dbraw/zinc/41/15/44/919411544.db2.gz DVHMOPBIDHMOLQ-CYBMUJFWSA-N 1 1 310.398 -1.355 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001366993039 919417809 /nfs/dbraw/zinc/41/78/09/919417809.db2.gz LCRVWICLIXUOAD-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001366993039 919417823 /nfs/dbraw/zinc/41/78/23/919417823.db2.gz LCRVWICLIXUOAD-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001367011280 919421919 /nfs/dbraw/zinc/42/19/19/919421919.db2.gz TWHXQTYZYBESJN-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001367011280 919421931 /nfs/dbraw/zinc/42/19/31/919421931.db2.gz TWHXQTYZYBESJN-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001367005416 919422182 /nfs/dbraw/zinc/42/21/82/919422182.db2.gz UGGTYADQTXEQMU-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001367005416 919422191 /nfs/dbraw/zinc/42/21/91/919422191.db2.gz UGGTYADQTXEQMU-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001367006951 919422318 /nfs/dbraw/zinc/42/23/18/919422318.db2.gz BADCFPABXOVAEY-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001367006951 919422326 /nfs/dbraw/zinc/42/23/26/919422326.db2.gz BADCFPABXOVAEY-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001367005876 919422532 /nfs/dbraw/zinc/42/25/32/919422532.db2.gz CZJRQASIAWKFDX-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001367030702 919424814 /nfs/dbraw/zinc/42/48/14/919424814.db2.gz HZLKFENVYRPWHP-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001367030702 919424836 /nfs/dbraw/zinc/42/48/36/919424836.db2.gz HZLKFENVYRPWHP-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001367026485 919425521 /nfs/dbraw/zinc/42/55/21/919425521.db2.gz NCWHZQGXLCFDDR-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001367027675 919425724 /nfs/dbraw/zinc/42/57/24/919425724.db2.gz ZOVCUWJFLIWTML-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001367027675 919425741 /nfs/dbraw/zinc/42/57/41/919425741.db2.gz ZOVCUWJFLIWTML-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001367030325 919426095 /nfs/dbraw/zinc/42/60/95/919426095.db2.gz LFVFFUXRIHQZAQ-NEPJUHHUSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001367017795 919426755 /nfs/dbraw/zinc/42/67/55/919426755.db2.gz NHIMLXXBTWBQHB-IUCAKERBSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001367017795 919426763 /nfs/dbraw/zinc/42/67/63/919426763.db2.gz NHIMLXXBTWBQHB-IUCAKERBSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001367026627 919427125 /nfs/dbraw/zinc/42/71/25/919427125.db2.gz NNCJTURNEADULR-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001367026627 919427134 /nfs/dbraw/zinc/42/71/34/919427134.db2.gz NNCJTURNEADULR-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001367025977 919427371 /nfs/dbraw/zinc/42/73/71/919427371.db2.gz JFDMNJMKAVLWLE-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001367025977 919427384 /nfs/dbraw/zinc/42/73/84/919427384.db2.gz JFDMNJMKAVLWLE-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001367031026 919430225 /nfs/dbraw/zinc/43/02/25/919430225.db2.gz QRNQEQQVVODXQG-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001367042064 919430321 /nfs/dbraw/zinc/43/03/21/919430321.db2.gz FDQXZFGDBKOFHC-MNOVXSKESA-N 1 1 303.359 -1.118 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001367032044 919432110 /nfs/dbraw/zinc/43/21/10/919432110.db2.gz DXBDSVPTMHRCOC-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001367043783 919432335 /nfs/dbraw/zinc/43/23/35/919432335.db2.gz WCZLSQYPHGQSJR-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001367063853 919433520 /nfs/dbraw/zinc/43/35/20/919433520.db2.gz RHAWBBBEQWSWBO-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001367058614 919433813 /nfs/dbraw/zinc/43/38/13/919433813.db2.gz KSIKKBJMFSKALS-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001367058614 919433819 /nfs/dbraw/zinc/43/38/19/919433819.db2.gz KSIKKBJMFSKALS-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001367091880 919434181 /nfs/dbraw/zinc/43/41/81/919434181.db2.gz LNFLAIGTHOMCLR-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064185 919434222 /nfs/dbraw/zinc/43/42/22/919434222.db2.gz IFKGJGDGSFZMIO-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064185 919434227 /nfs/dbraw/zinc/43/42/27/919434227.db2.gz IFKGJGDGSFZMIO-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001367071423 919435191 /nfs/dbraw/zinc/43/51/91/919435191.db2.gz ZDWPELYTOXDEIY-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001367071423 919435199 /nfs/dbraw/zinc/43/51/99/919435199.db2.gz ZDWPELYTOXDEIY-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064173 919435702 /nfs/dbraw/zinc/43/57/02/919435702.db2.gz IFKGJGDGSFZMIO-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064173 919435709 /nfs/dbraw/zinc/43/57/09/919435709.db2.gz IFKGJGDGSFZMIO-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001367071430 919435777 /nfs/dbraw/zinc/43/57/77/919435777.db2.gz ZDWPELYTOXDEIY-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001367071430 919435786 /nfs/dbraw/zinc/43/57/86/919435786.db2.gz ZDWPELYTOXDEIY-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nncn1C ZINC001367117578 919437982 /nfs/dbraw/zinc/43/79/82/919437982.db2.gz XHIBUNLKXIOBNU-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001367128842 919438893 /nfs/dbraw/zinc/43/88/93/919438893.db2.gz SOVBPRZBHQQDFN-JTQLQIEISA-N 1 1 321.389 -1.044 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nncn1C ZINC001367117580 919438986 /nfs/dbraw/zinc/43/89/86/919438986.db2.gz XHIBUNLKXIOBNU-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001367121772 919439375 /nfs/dbraw/zinc/43/93/75/919439375.db2.gz CZBXMDGJNCQGGJ-WPRPVWTQSA-N 1 1 323.357 -1.602 20 0 DAADMO CC[C@@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001367108652 919439667 /nfs/dbraw/zinc/43/96/67/919439667.db2.gz WRDCCPQBFWJWPG-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001367220014 919442705 /nfs/dbraw/zinc/44/27/05/919442705.db2.gz KIXURGSYKUFXBH-LLVKDONJSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001367252048 919445558 /nfs/dbraw/zinc/44/55/58/919445558.db2.gz FTFMACHLBMUDFZ-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1nnn(C)n1 ZINC001367266352 919448701 /nfs/dbraw/zinc/44/87/01/919448701.db2.gz NKJHHZLGVJJOFH-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC001367300771 919451248 /nfs/dbraw/zinc/45/12/48/919451248.db2.gz KRUUMCZDMNNAOC-WDEREUQCSA-N 1 1 302.375 -1.233 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC001367300771 919451254 /nfs/dbraw/zinc/45/12/54/919451254.db2.gz KRUUMCZDMNNAOC-WDEREUQCSA-N 1 1 302.375 -1.233 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303576 919451328 /nfs/dbraw/zinc/45/13/28/919451328.db2.gz QNZFTNKDFPKNPG-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303576 919451336 /nfs/dbraw/zinc/45/13/36/919451336.db2.gz QNZFTNKDFPKNPG-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CCCC[N@H+]1CCO[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001367302905 919451520 /nfs/dbraw/zinc/45/15/20/919451520.db2.gz HXSXXXMHYOFCRE-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)OC)CCO1 ZINC001367300769 919451945 /nfs/dbraw/zinc/45/19/45/919451945.db2.gz KRUUMCZDMNNAOC-MNOVXSKESA-N 1 1 302.375 -1.233 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)OC)CCO1 ZINC001367300769 919451958 /nfs/dbraw/zinc/45/19/58/919451958.db2.gz KRUUMCZDMNNAOC-MNOVXSKESA-N 1 1 302.375 -1.233 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303572 919452046 /nfs/dbraw/zinc/45/20/46/919452046.db2.gz QNZFTNKDFPKNPG-RYUDHWBXSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303572 919452057 /nfs/dbraw/zinc/45/20/57/919452057.db2.gz QNZFTNKDFPKNPG-RYUDHWBXSA-N 1 1 314.386 -2.384 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)CC1=O ZINC001367298176 919452271 /nfs/dbraw/zinc/45/22/71/919452271.db2.gz DOIOVACQICXXHD-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001367322262 919456970 /nfs/dbraw/zinc/45/69/70/919456970.db2.gz YVBQDLCBWYSRMM-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1ccn[nH]1 ZINC001367357464 919457854 /nfs/dbraw/zinc/45/78/54/919457854.db2.gz VWLLBCCSTNCYJI-JTQLQIEISA-N 1 1 322.369 -1.582 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCCC1=O ZINC001367343146 919457911 /nfs/dbraw/zinc/45/79/11/919457911.db2.gz LYCRWQRPAVDMMG-JTQLQIEISA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CN1CCOCC1=O ZINC001367357222 919458569 /nfs/dbraw/zinc/45/85/69/919458569.db2.gz JCZGHQKLUBZLJE-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCOC1 ZINC001367508354 919467508 /nfs/dbraw/zinc/46/75/08/919467508.db2.gz PKFAHTQFSPXOEX-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1CCOC1 ZINC001367508354 919467517 /nfs/dbraw/zinc/46/75/17/919467517.db2.gz PKFAHTQFSPXOEX-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503144 919468201 /nfs/dbraw/zinc/46/82/01/919468201.db2.gz QCJYDGOVNCAIMA-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503144 919468212 /nfs/dbraw/zinc/46/82/12/919468212.db2.gz QCJYDGOVNCAIMA-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001367508863 919468552 /nfs/dbraw/zinc/46/85/52/919468552.db2.gz XCTWWKJFSLYIDR-JTQLQIEISA-N 1 1 313.358 -1.490 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503148 919469052 /nfs/dbraw/zinc/46/90/52/919469052.db2.gz QCJYDGOVNCAIMA-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503148 919469062 /nfs/dbraw/zinc/46/90/62/919469062.db2.gz QCJYDGOVNCAIMA-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001367502826 919469084 /nfs/dbraw/zinc/46/90/84/919469084.db2.gz WDCXXRQTIHLPFV-CYBMUJFWSA-N 1 1 311.386 -1.230 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CN(C)CCO1 ZINC001367509012 919469430 /nfs/dbraw/zinc/46/94/30/919469430.db2.gz QMTPBPSNZZYVAY-ZDUSSCGKSA-N 1 1 310.402 -1.001 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367536514 919472163 /nfs/dbraw/zinc/47/21/63/919472163.db2.gz OORKKYCBPBFEOK-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367536514 919472178 /nfs/dbraw/zinc/47/21/78/919472178.db2.gz OORKKYCBPBFEOK-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001367525795 919472938 /nfs/dbraw/zinc/47/29/38/919472938.db2.gz BHGKOWVUQICVQW-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001367525795 919472944 /nfs/dbraw/zinc/47/29/44/919472944.db2.gz BHGKOWVUQICVQW-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367530925 919473076 /nfs/dbraw/zinc/47/30/76/919473076.db2.gz CEOPNZXFLVKMSY-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367530925 919473080 /nfs/dbraw/zinc/47/30/80/919473080.db2.gz CEOPNZXFLVKMSY-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)c1nnn(C)n1 ZINC001367531392 919473552 /nfs/dbraw/zinc/47/35/52/919473552.db2.gz CLJBHLSGWVPKQQ-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)c1nnn(C)n1 ZINC001367531392 919473556 /nfs/dbraw/zinc/47/35/56/919473556.db2.gz CLJBHLSGWVPKQQ-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367529962 919473725 /nfs/dbraw/zinc/47/37/25/919473725.db2.gz BXPAMPAPSFWTEZ-SNVBAGLBSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367529962 919473734 /nfs/dbraw/zinc/47/37/34/919473734.db2.gz BXPAMPAPSFWTEZ-SNVBAGLBSA-N 1 1 315.374 -1.514 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001367551075 919475986 /nfs/dbraw/zinc/47/59/86/919475986.db2.gz HQCJQAIJHICFAG-NEPJUHHUSA-N 1 1 316.402 -1.073 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001367551535 919476009 /nfs/dbraw/zinc/47/60/09/919476009.db2.gz JZDBKTVZMCBLJV-NSHDSACASA-N 1 1 312.370 -1.209 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367551676 919476043 /nfs/dbraw/zinc/47/60/43/919476043.db2.gz KOZZKIAWPMQBCQ-SECBINFHSA-N 1 1 311.346 -1.748 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367551676 919476049 /nfs/dbraw/zinc/47/60/49/919476049.db2.gz KOZZKIAWPMQBCQ-SECBINFHSA-N 1 1 311.346 -1.748 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001367564041 919476140 /nfs/dbraw/zinc/47/61/40/919476140.db2.gz GBRSJUXDKGFJNA-KOLCDFICSA-N 1 1 312.374 -1.579 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1CCOCC1)c1nnnn1C ZINC001367562467 919476219 /nfs/dbraw/zinc/47/62/19/919476219.db2.gz KINMIJPJKKYRKD-ONGXEEELSA-N 1 1 312.374 -1.236 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)CC(=O)NC)C1 ZINC001367550523 919476251 /nfs/dbraw/zinc/47/62/51/919476251.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)CC(=O)NC)C1 ZINC001367550523 919476258 /nfs/dbraw/zinc/47/62/58/919476258.db2.gz HDAZVDQQGROITR-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001367560462 919476583 /nfs/dbraw/zinc/47/65/83/919476583.db2.gz AIOLLJPOSDBJMF-SNVBAGLBSA-N 1 1 311.346 -2.289 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnon1 ZINC001367544627 919477160 /nfs/dbraw/zinc/47/71/60/919477160.db2.gz YTLQMLNXGIHKMU-UHFFFAOYSA-N 1 1 311.342 -1.068 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnon1 ZINC001367544627 919477173 /nfs/dbraw/zinc/47/71/73/919477173.db2.gz YTLQMLNXGIHKMU-UHFFFAOYSA-N 1 1 311.342 -1.068 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367551691 919477906 /nfs/dbraw/zinc/47/79/06/919477906.db2.gz KOZZKIAWPMQBCQ-VIFPVBQESA-N 1 1 311.346 -1.748 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367551691 919477916 /nfs/dbraw/zinc/47/79/16/919477916.db2.gz KOZZKIAWPMQBCQ-VIFPVBQESA-N 1 1 311.346 -1.748 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nnnn2C)C1 ZINC001367560596 919478210 /nfs/dbraw/zinc/47/82/10/919478210.db2.gz KQCVBGIVWPNMHP-VXGBXAGGSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nnnn2C)C1 ZINC001367560596 919478221 /nfs/dbraw/zinc/47/82/21/919478221.db2.gz KQCVBGIVWPNMHP-VXGBXAGGSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001367560371 919478454 /nfs/dbraw/zinc/47/84/54/919478454.db2.gz AIOLLJPOSDBJMF-JTQLQIEISA-N 1 1 311.346 -2.289 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367553003 919478565 /nfs/dbraw/zinc/47/85/65/919478565.db2.gz OANAUOVUIJZUPC-UHFFFAOYSA-N 1 1 311.346 -1.876 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cncn1 ZINC001367553003 919478573 /nfs/dbraw/zinc/47/85/73/919478573.db2.gz OANAUOVUIJZUPC-UHFFFAOYSA-N 1 1 311.346 -1.876 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367571091 919480443 /nfs/dbraw/zinc/48/04/43/919480443.db2.gz SFDBQIZAOSIILH-VIFPVBQESA-N 1 1 300.319 -2.262 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cn1cccn1 ZINC001367570885 919480749 /nfs/dbraw/zinc/48/07/49/919480749.db2.gz KSFIBQUUUWMRBF-NSHDSACASA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001367571962 919484414 /nfs/dbraw/zinc/48/44/14/919484414.db2.gz UULILVXCPRWCLT-SNVBAGLBSA-N 1 1 310.358 -1.794 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1=COCCO1)c1nncn1C ZINC001367573496 919484664 /nfs/dbraw/zinc/48/46/64/919484664.db2.gz OMWANUKUKGALHD-VHSXEESVSA-N 1 1 311.342 -1.169 20 0 DAADMO COC1(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CCC1 ZINC001367574986 919484914 /nfs/dbraw/zinc/48/49/14/919484914.db2.gz CYDBBKDRIPUGJZ-SNVBAGLBSA-N 1 1 312.374 -1.264 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)OC)n1 ZINC001367574050 919484976 /nfs/dbraw/zinc/48/49/76/919484976.db2.gz YQCWULPRMOWAKV-JTQLQIEISA-N 1 1 314.346 -1.779 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367571630 919485216 /nfs/dbraw/zinc/48/52/16/919485216.db2.gz KYODPGGPFJXSBY-ZYHUDNBSSA-N 1 1 309.370 -1.124 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ncc[nH]1 ZINC001367578084 919486822 /nfs/dbraw/zinc/48/68/22/919486822.db2.gz BUFMBPPFWQBNKV-SECBINFHSA-N 1 1 321.341 -1.588 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001367579569 919487382 /nfs/dbraw/zinc/48/73/82/919487382.db2.gz FNCAGAWWEVEJFD-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(CC)n2)nn1 ZINC001367577428 919488977 /nfs/dbraw/zinc/48/89/77/919488977.db2.gz BDCICPFCXHICJG-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)nn1 ZINC001367578471 919489127 /nfs/dbraw/zinc/48/91/27/919489127.db2.gz CJNLSWZRCKJTKZ-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001367579732 919489150 /nfs/dbraw/zinc/48/91/50/919489150.db2.gz JUXUEKSSNXPQJZ-MWLCHTKSSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)on1 ZINC001367577488 919489199 /nfs/dbraw/zinc/48/91/99/919489199.db2.gz BNOXBTWOWGDBAL-NSHDSACASA-N 1 1 313.358 -1.131 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)o1 ZINC001367580021 919490868 /nfs/dbraw/zinc/49/08/68/919490868.db2.gz FYIFYUPPTOSZOA-SNVBAGLBSA-N 1 1 306.326 -1.023 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367580728 919491196 /nfs/dbraw/zinc/49/11/96/919491196.db2.gz LLMPYUWXPPFJAX-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001367581999 919492380 /nfs/dbraw/zinc/49/23/80/919492380.db2.gz NEGGGARFHFLBCX-JTQLQIEISA-N 1 1 308.346 -1.949 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001367583362 919494869 /nfs/dbraw/zinc/49/48/69/919494869.db2.gz QDVYJIBRFYTDRW-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCc1[nH]ccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367587238 919497476 /nfs/dbraw/zinc/49/74/76/919497476.db2.gz RNDNFDXNOVJIJB-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)n1 ZINC001367586117 919499443 /nfs/dbraw/zinc/49/94/43/919499443.db2.gz QNOZLEWCTVUUDX-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001367590033 919502062 /nfs/dbraw/zinc/50/20/62/919502062.db2.gz ZJBDNOBQJYEOAC-GFCCVEGCSA-N 1 1 307.358 -1.088 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)[C@@H]1CCOC1 ZINC001367591121 919502771 /nfs/dbraw/zinc/50/27/71/919502771.db2.gz XLBDICSQKHFVDJ-GHMZBOCLSA-N 1 1 315.349 -1.149 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1cnnn1C)[NH+](C)C ZINC001367588899 919502826 /nfs/dbraw/zinc/50/28/26/919502826.db2.gz MJWRAZZBGHZPTA-OLZOCXBDSA-N 1 1 312.418 -1.032 20 0 DAADMO CCn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001367588537 919502886 /nfs/dbraw/zinc/50/28/86/919502886.db2.gz KMBJSQIITYRSLA-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)nn1 ZINC001367592493 919506812 /nfs/dbraw/zinc/50/68/12/919506812.db2.gz WRQVOFFKUGKQNW-NSHDSACASA-N 1 1 321.341 -1.326 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)c1cnc[nH]c1=O ZINC001367592467 919506904 /nfs/dbraw/zinc/50/69/04/919506904.db2.gz WJLJWPSZFXEVOL-ZETCQYMHSA-N 1 1 310.339 -1.086 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cncnc1 ZINC001367601516 919516004 /nfs/dbraw/zinc/51/60/04/919516004.db2.gz PFNYAMJTNJQHJJ-NSHDSACASA-N 1 1 320.357 -1.800 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001367601380 919517503 /nfs/dbraw/zinc/51/75/03/919517503.db2.gz NINHHLDPMKUGOX-IUCAKERBSA-N 1 1 310.358 -1.963 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001367603874 919518422 /nfs/dbraw/zinc/51/84/22/919518422.db2.gz ISUCQIFPEPJOGZ-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001367606848 919520366 /nfs/dbraw/zinc/52/03/66/919520366.db2.gz MIGGETJLLPHGNP-SCZZXKLOSA-N 1 1 310.358 -1.600 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)c1 ZINC001367608899 919524036 /nfs/dbraw/zinc/52/40/36/919524036.db2.gz WJOYCVAJJWQKDR-JTQLQIEISA-N 1 1 307.310 -1.351 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367610025 919524593 /nfs/dbraw/zinc/52/45/93/919524593.db2.gz QEQOGMHTAHNKLV-LBPRGKRZSA-N 1 1 319.369 -1.277 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnnc2)nn1 ZINC001367610169 919524644 /nfs/dbraw/zinc/52/46/44/919524644.db2.gz JEIGIRDSINOZAG-GFCCVEGCSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367607940 919524832 /nfs/dbraw/zinc/52/48/32/919524832.db2.gz NQXSSYJDTAYBJD-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367610020 919525822 /nfs/dbraw/zinc/52/58/22/919525822.db2.gz QEQOGMHTAHNKLV-GFCCVEGCSA-N 1 1 319.369 -1.277 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1C ZINC001367607760 919526340 /nfs/dbraw/zinc/52/63/40/919526340.db2.gz UPMUAHNVDVSHBC-JTQLQIEISA-N 1 1 323.357 -1.562 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001367611775 919527986 /nfs/dbraw/zinc/52/79/86/919527986.db2.gz XAUIIZKBDFZLOR-MEWQQHAOSA-N 1 1 309.370 -1.243 20 0 DAADMO COc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367613913 919528760 /nfs/dbraw/zinc/52/87/60/919528760.db2.gz ACIPWNGFSHHIMR-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001367611236 919529588 /nfs/dbraw/zinc/52/95/88/919529588.db2.gz WACXNSFSGZAGCW-VIFPVBQESA-N 1 1 319.369 -1.093 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001367615587 919531200 /nfs/dbraw/zinc/53/12/00/919531200.db2.gz FIFFLBAJAKDOTD-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001367618457 919533276 /nfs/dbraw/zinc/53/32/76/919533276.db2.gz OGPOSNUNAJKRPB-GHMZBOCLSA-N 1 1 312.374 -1.704 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367619446 919535004 /nfs/dbraw/zinc/53/50/04/919535004.db2.gz GPNBPSINFPFEPK-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001367621570 919535228 /nfs/dbraw/zinc/53/52/28/919535228.db2.gz LCQOVOCWRKAPGH-LLVKDONJSA-N 1 1 305.342 -1.287 20 0 DAADMO CCc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c(C)o1 ZINC001367624299 919536498 /nfs/dbraw/zinc/53/64/98/919536498.db2.gz WBGVCRNHMDEATG-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2nnnn2C2CC2)C1 ZINC001367622817 919536768 /nfs/dbraw/zinc/53/67/68/919536768.db2.gz HYYFSBAYTSWHLR-PWSUYJOCSA-N 1 1 323.401 -1.474 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367625466 919539010 /nfs/dbraw/zinc/53/90/10/919539010.db2.gz QRZUZVNRIAOFII-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367625466 919539021 /nfs/dbraw/zinc/53/90/21/919539021.db2.gz QRZUZVNRIAOFII-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001367627422 919540891 /nfs/dbraw/zinc/54/08/91/919540891.db2.gz VPZRXYBHSGDUDU-NSHDSACASA-N 1 1 322.373 -1.303 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001367628778 919543663 /nfs/dbraw/zinc/54/36/63/919543663.db2.gz GLVHDKWIBRGHRX-VIFPVBQESA-N 1 1 301.372 -1.232 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCN2CCCC2=O)n1 ZINC001367630447 919544502 /nfs/dbraw/zinc/54/45/02/919544502.db2.gz KYPJXFPYYYNLGA-LBPRGKRZSA-N 1 1 324.385 -1.606 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367629063 919544947 /nfs/dbraw/zinc/54/49/47/919544947.db2.gz YIWBLCWIXZEVIM-JTQLQIEISA-N 1 1 324.341 -1.170 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)Cn1cnnn1 ZINC001367651786 919550638 /nfs/dbraw/zinc/55/06/38/919550638.db2.gz IUONNXKRRAWPPZ-SECBINFHSA-N 1 1 311.325 -1.471 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001367664128 919550798 /nfs/dbraw/zinc/55/07/98/919550798.db2.gz ORJSCFFHKPNPQQ-SECBINFHSA-N 1 1 322.373 -1.063 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367670564 919551917 /nfs/dbraw/zinc/55/19/17/919551917.db2.gz XSZFIQIWGYWDTI-WDEREUQCSA-N 1 1 324.385 -1.467 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)c1cnn[nH]1 ZINC001367683878 919555986 /nfs/dbraw/zinc/55/59/86/919555986.db2.gz LBSIJUGHLWOZHC-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001367714216 919558398 /nfs/dbraw/zinc/55/83/98/919558398.db2.gz ZXFSYZMYQVTQLI-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367711627 919559097 /nfs/dbraw/zinc/55/90/97/919559097.db2.gz HVUWRPOFLZKBFM-ZJUUUORDSA-N 1 1 322.369 -1.319 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC001367741296 919564912 /nfs/dbraw/zinc/56/49/12/919564912.db2.gz VHPVPNOYEQSUNO-VIFPVBQESA-N 1 1 310.358 -1.434 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001367746119 919565467 /nfs/dbraw/zinc/56/54/67/919565467.db2.gz LETHNGAHTIBZOC-QMMMGPOBSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@@H](CNCC(=O)N1CCNC(=O)C1)NC(=O)CC[NH+](C)C ZINC001367752699 919566321 /nfs/dbraw/zinc/56/63/21/919566321.db2.gz JTZMNRRWOJOWRD-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367748565 919566421 /nfs/dbraw/zinc/56/64/21/919566421.db2.gz FZORBHUSRFPGQH-VHSXEESVSA-N 1 1 324.389 -1.299 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CC1CS(=O)(=O)C1 ZINC001367743894 919566647 /nfs/dbraw/zinc/56/66/47/919566647.db2.gz UUMFOPJECVSTJY-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001367770420 919569240 /nfs/dbraw/zinc/56/92/40/919569240.db2.gz GQCLXZBITKJBLC-JGVFFNPUSA-N 1 1 318.403 -1.182 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnccn1 ZINC001367779708 919569432 /nfs/dbraw/zinc/56/94/32/919569432.db2.gz DMSMONLZLVUPMK-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnccn1 ZINC001367779708 919569439 /nfs/dbraw/zinc/56/94/39/919569439.db2.gz DMSMONLZLVUPMK-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001367780431 919569888 /nfs/dbraw/zinc/56/98/88/919569888.db2.gz INRUSZHHISLKKF-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001367780431 919569901 /nfs/dbraw/zinc/56/99/01/919569901.db2.gz INRUSZHHISLKKF-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367783926 919570299 /nfs/dbraw/zinc/57/02/99/919570299.db2.gz AYNMPZXTPJOITO-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367783926 919570308 /nfs/dbraw/zinc/57/03/08/919570308.db2.gz AYNMPZXTPJOITO-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001367771903 919570948 /nfs/dbraw/zinc/57/09/48/919570948.db2.gz RMYGUNRZUVHRMH-UWVGGRQHSA-N 1 1 313.383 -1.237 20 0 DAADMO COc1cnc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC001367825803 919573641 /nfs/dbraw/zinc/57/36/41/919573641.db2.gz LUIMNDWTENDGML-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cnc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC001367825803 919573653 /nfs/dbraw/zinc/57/36/53/919573653.db2.gz LUIMNDWTENDGML-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367790721 919573765 /nfs/dbraw/zinc/57/37/65/919573765.db2.gz SWBFTXOXZUGDGU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001367808559 919574118 /nfs/dbraw/zinc/57/41/18/919574118.db2.gz QAFXXGFSAVFASB-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001367808559 919574137 /nfs/dbraw/zinc/57/41/37/919574137.db2.gz QAFXXGFSAVFASB-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001367806883 919574239 /nfs/dbraw/zinc/57/42/39/919574239.db2.gz RHGYSQWKIXEBCP-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001367806883 919574253 /nfs/dbraw/zinc/57/42/53/919574253.db2.gz RHGYSQWKIXEBCP-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H]1CCc2ncnn21)NC(=O)Cn1ncnn1 ZINC001367804350 919574282 /nfs/dbraw/zinc/57/42/82/919574282.db2.gz IZJZYWPIKWIFQU-QWRGUYRKSA-N 1 1 319.373 -1.111 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001367793571 919574828 /nfs/dbraw/zinc/57/48/28/919574828.db2.gz MSFFVURWHWUVAB-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001367793571 919574839 /nfs/dbraw/zinc/57/48/39/919574839.db2.gz MSFFVURWHWUVAB-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793577 919575462 /nfs/dbraw/zinc/57/54/62/919575462.db2.gz MSFFVURWHWUVAB-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793577 919575475 /nfs/dbraw/zinc/57/54/75/919575475.db2.gz MSFFVURWHWUVAB-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367790726 919575586 /nfs/dbraw/zinc/57/55/86/919575586.db2.gz SWBFTXOXZUGDGU-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367825676 919576091 /nfs/dbraw/zinc/57/60/91/919576091.db2.gz HDIYTVIQTRDRMF-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367825676 919576094 /nfs/dbraw/zinc/57/60/94/919576094.db2.gz HDIYTVIQTRDRMF-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H](C)C[N@@H+](C)CCO ZINC001367853909 919577367 /nfs/dbraw/zinc/57/73/67/919577367.db2.gz ZEQKGGWEMGQVGM-SSDOTTSWSA-N 1 1 300.315 -1.061 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842551 919577684 /nfs/dbraw/zinc/57/76/84/919577684.db2.gz KGYPYXSHXIEBPG-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842551 919577700 /nfs/dbraw/zinc/57/77/00/919577700.db2.gz KGYPYXSHXIEBPG-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842479 919577729 /nfs/dbraw/zinc/57/77/29/919577729.db2.gz JAYCKUCBCWTRMT-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842479 919577737 /nfs/dbraw/zinc/57/77/37/919577737.db2.gz JAYCKUCBCWTRMT-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001367842687 919578214 /nfs/dbraw/zinc/57/82/14/919578214.db2.gz DGNLZVUEGWPUSO-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001367842687 919578224 /nfs/dbraw/zinc/57/82/24/919578224.db2.gz DGNLZVUEGWPUSO-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccncn1 ZINC001367850856 919578684 /nfs/dbraw/zinc/57/86/84/919578684.db2.gz PRGCAULFDRGWKN-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccncn1 ZINC001367850856 919578698 /nfs/dbraw/zinc/57/86/98/919578698.db2.gz PRGCAULFDRGWKN-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001367851843 919578932 /nfs/dbraw/zinc/57/89/32/919578932.db2.gz HZOKHPGBGQMAIF-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001367851843 919578946 /nfs/dbraw/zinc/57/89/46/919578946.db2.gz HZOKHPGBGQMAIF-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001367857543 919579076 /nfs/dbraw/zinc/57/90/76/919579076.db2.gz WFWXGCKFYSAHEC-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001367857543 919579090 /nfs/dbraw/zinc/57/90/90/919579090.db2.gz WFWXGCKFYSAHEC-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001367842694 919579428 /nfs/dbraw/zinc/57/94/28/919579428.db2.gz DGNLZVUEGWPUSO-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001367842694 919579441 /nfs/dbraw/zinc/57/94/41/919579441.db2.gz DGNLZVUEGWPUSO-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001367857276 919579830 /nfs/dbraw/zinc/57/98/30/919579830.db2.gz ZKARVWITSOLTPT-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001367847979 919579974 /nfs/dbraw/zinc/57/99/74/919579974.db2.gz HMLCHJWDFXKNNR-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001367847979 919579988 /nfs/dbraw/zinc/57/99/88/919579988.db2.gz HMLCHJWDFXKNNR-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001367856861 919580142 /nfs/dbraw/zinc/58/01/42/919580142.db2.gz BNBRFHWDMXMFPP-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001367856861 919580146 /nfs/dbraw/zinc/58/01/46/919580146.db2.gz BNBRFHWDMXMFPP-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C[NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001367876302 919581660 /nfs/dbraw/zinc/58/16/60/919581660.db2.gz MDKMZCOSZOHUBY-LDYMZIIASA-N 1 1 309.374 -1.108 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C[NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001367876296 919582479 /nfs/dbraw/zinc/58/24/79/919582479.db2.gz MDKMZCOSZOHUBY-GZMMTYOYSA-N 1 1 309.374 -1.108 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](C[NH2+]Cc2ncnn2C)C2CC2)n1 ZINC001367906018 919584055 /nfs/dbraw/zinc/58/40/55/919584055.db2.gz LJCQZMBNWZKQJV-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)CC1=O ZINC001367909586 919584549 /nfs/dbraw/zinc/58/45/49/919584549.db2.gz ZTPICEVOGRPGLS-QWRGUYRKSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367893914 919585023 /nfs/dbraw/zinc/58/50/23/919585023.db2.gz VMLXQWNXENORQE-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367893914 919585034 /nfs/dbraw/zinc/58/50/34/919585034.db2.gz VMLXQWNXENORQE-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001367897343 919585366 /nfs/dbraw/zinc/58/53/66/919585366.db2.gz DWOHYWKWZDJDLO-VIFPVBQESA-N 1 1 320.357 -1.053 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)CC1=O ZINC001367909587 919585570 /nfs/dbraw/zinc/58/55/70/919585570.db2.gz ZTPICEVOGRPGLS-WDEREUQCSA-N 1 1 321.385 -1.327 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001367889066 919586752 /nfs/dbraw/zinc/58/67/52/919586752.db2.gz FBPVRKGRLIGSFV-SNVBAGLBSA-N 1 1 309.374 -1.279 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367888601 919586844 /nfs/dbraw/zinc/58/68/44/919586844.db2.gz FRKKZEUODNDGOW-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367888601 919586859 /nfs/dbraw/zinc/58/68/59/919586859.db2.gz FRKKZEUODNDGOW-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccn2nnnc12 ZINC001367942882 919588629 /nfs/dbraw/zinc/58/86/29/919588629.db2.gz FICHHEZLVKOCFD-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001367934221 919589944 /nfs/dbraw/zinc/58/99/44/919589944.db2.gz DVESZYIFUWKZHL-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367954057 919593517 /nfs/dbraw/zinc/59/35/17/919593517.db2.gz GCSNKTXPBHSFQA-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001367963884 919596614 /nfs/dbraw/zinc/59/66/14/919596614.db2.gz VEQHIRBOQCVQIZ-LLVKDONJSA-N 1 1 300.359 -2.188 20 0 DAADMO Cn1cc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)nn1 ZINC001367997348 919600718 /nfs/dbraw/zinc/60/07/18/919600718.db2.gz LBHNGFMAGCUDKT-UHFFFAOYSA-N 1 1 306.330 -1.711 20 0 DAADMO Cn1nccc1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001367986982 919601020 /nfs/dbraw/zinc/60/10/20/919601020.db2.gz JOXAPMSSAMANAA-UHFFFAOYSA-N 1 1 305.342 -1.106 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001367978636 919601198 /nfs/dbraw/zinc/60/11/98/919601198.db2.gz QEBDFMMYWAVIEF-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001367978636 919601202 /nfs/dbraw/zinc/60/12/02/919601202.db2.gz QEBDFMMYWAVIEF-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1ccc(C[NH2+]C2(CNC(=O)CN3CCNC(=O)C3)CC2)n1 ZINC001368015145 919602730 /nfs/dbraw/zinc/60/27/30/919602730.db2.gz ZTWAOAFOHHHOEY-UHFFFAOYSA-N 1 1 320.397 -1.410 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368012679 919603902 /nfs/dbraw/zinc/60/39/02/919603902.db2.gz JSIHPGFZGBSILM-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1)c1nncn1C ZINC001368022510 919605196 /nfs/dbraw/zinc/60/51/96/919605196.db2.gz LTHREKFHUQZFMC-RKDXNWHRSA-N 1 1 307.358 -1.204 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CNC(=O)NC)C2)C1 ZINC001368065672 919607717 /nfs/dbraw/zinc/60/77/17/919607717.db2.gz KNTMITWHDQJORA-AWEZNQCLSA-N 1 1 311.386 -1.414 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001368065085 919608506 /nfs/dbraw/zinc/60/85/06/919608506.db2.gz VASXUDSMRUBTNI-WFASDCNBSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001368077205 919610879 /nfs/dbraw/zinc/61/08/79/919610879.db2.gz BNZQPCWLJKCJGC-LBPRGKRZSA-N 1 1 314.386 -2.432 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001368075738 919611324 /nfs/dbraw/zinc/61/13/24/919611324.db2.gz ZNICVRMSXHRHKF-UHFFFAOYSA-N 1 1 314.430 -1.032 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@H](C)NC(N)=O)C1 ZINC001368074211 919612201 /nfs/dbraw/zinc/61/22/01/919612201.db2.gz FDXAFZQSOUHNRK-ONGXEEELSA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368078222 919612228 /nfs/dbraw/zinc/61/22/28/919612228.db2.gz WYVPVKODVAXVEC-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C[C@@H](O)COC)C2)C1 ZINC001368088580 919614361 /nfs/dbraw/zinc/61/43/61/919614361.db2.gz KXXVHWSZXDCBKU-KGLIPLIRSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C[C@@H](O)COC)C2)C1 ZINC001368088580 919614369 /nfs/dbraw/zinc/61/43/69/919614369.db2.gz KXXVHWSZXDCBKU-KGLIPLIRSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C[C@@H](O)COC)C2)C1 ZINC001368088588 919615691 /nfs/dbraw/zinc/61/56/91/919615691.db2.gz KXXVHWSZXDCBKU-ZIAGYGMSSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C[C@@H](O)COC)C2)C1 ZINC001368088588 919615697 /nfs/dbraw/zinc/61/56/97/919615697.db2.gz KXXVHWSZXDCBKU-ZIAGYGMSSA-N 1 1 315.414 -1.143 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001368089027 919615751 /nfs/dbraw/zinc/61/57/51/919615751.db2.gz MYDXNODOXCTWLB-SNVBAGLBSA-N 1 1 321.385 -1.034 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001368138983 919619867 /nfs/dbraw/zinc/61/98/67/919619867.db2.gz NRMRWTHTTSZSSZ-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368160151 919621294 /nfs/dbraw/zinc/62/12/94/919621294.db2.gz WAWPLXQKWQJKFI-IINYFYTJSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001368163076 919622954 /nfs/dbraw/zinc/62/29/54/919622954.db2.gz XEUITNNIXRHHOG-LBPRGKRZSA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@H+](CC(N)=O)C1 ZINC001368170812 919624065 /nfs/dbraw/zinc/62/40/65/919624065.db2.gz DDYHEYSRRZHTFQ-CYBMUJFWSA-N 1 1 311.342 -2.006 20 0 DAADMO C[C@@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+](CC(N)=O)C1 ZINC001368170812 919624073 /nfs/dbraw/zinc/62/40/73/919624073.db2.gz DDYHEYSRRZHTFQ-CYBMUJFWSA-N 1 1 311.342 -2.006 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368151388 919624267 /nfs/dbraw/zinc/62/42/67/919624267.db2.gz JJEBGFWFNUZXGY-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368151388 919624286 /nfs/dbraw/zinc/62/42/86/919624286.db2.gz JJEBGFWFNUZXGY-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001368173394 919626263 /nfs/dbraw/zinc/62/62/63/919626263.db2.gz GYLNBADPLHNERY-QMTHXVAHSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001368173380 919627889 /nfs/dbraw/zinc/62/78/89/919627889.db2.gz GYLNBADPLHNERY-HZMBPMFUSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001368173402 919628095 /nfs/dbraw/zinc/62/80/95/919628095.db2.gz GYLNBADPLHNERY-YGRLFVJLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](Cc2ccns2)C1 ZINC001368241462 919630173 /nfs/dbraw/zinc/63/01/73/919630173.db2.gz KHHRWQRRGQKZLN-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccns2)C1 ZINC001368241462 919630182 /nfs/dbraw/zinc/63/01/82/919630182.db2.gz KHHRWQRRGQKZLN-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cccn3)C2)C1=O ZINC001368240231 919630737 /nfs/dbraw/zinc/63/07/37/919630737.db2.gz HSZZFEFYKXGOKV-IUODEOHRSA-N 1 1 321.381 -1.333 20 0 DAADMO Cn1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001368243386 919631167 /nfs/dbraw/zinc/63/11/67/919631167.db2.gz GDZYHJZKTZMFPV-DOMZBBRYSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001368243386 919631175 /nfs/dbraw/zinc/63/11/75/919631175.db2.gz GDZYHJZKTZMFPV-DOMZBBRYSA-N 1 1 321.381 -1.596 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001368241423 919632000 /nfs/dbraw/zinc/63/20/00/919632000.db2.gz XNJKZTVCJFHGNF-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001368241423 919632011 /nfs/dbraw/zinc/63/20/11/919632011.db2.gz XNJKZTVCJFHGNF-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368244682 919632141 /nfs/dbraw/zinc/63/21/41/919632141.db2.gz CSFZKVHIWUUXCD-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001368238755 919632223 /nfs/dbraw/zinc/63/22/23/919632223.db2.gz FUYNPOYQCMQCRJ-JSGCOSHPSA-N 1 1 324.385 -1.347 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)cnn1C ZINC001368238478 919632283 /nfs/dbraw/zinc/63/22/83/919632283.db2.gz DEAWDQYRYPXHEM-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)cnn1C ZINC001368238478 919632293 /nfs/dbraw/zinc/63/22/93/919632293.db2.gz DEAWDQYRYPXHEM-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001368244588 919632443 /nfs/dbraw/zinc/63/24/43/919632443.db2.gz CEROSTZNWIGWCD-RISCZKNCSA-N 1 1 324.385 -1.272 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)cnn1C ZINC001368238485 919632479 /nfs/dbraw/zinc/63/24/79/919632479.db2.gz DEAWDQYRYPXHEM-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)cnn1C ZINC001368238485 919632489 /nfs/dbraw/zinc/63/24/89/919632489.db2.gz DEAWDQYRYPXHEM-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001368247344 919635225 /nfs/dbraw/zinc/63/52/25/919635225.db2.gz HWGPOPCYCLCCCJ-HZMBPMFUSA-N 1 1 324.385 -1.527 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COC)C1 ZINC001368249360 919635344 /nfs/dbraw/zinc/63/53/44/919635344.db2.gz NKAVIYOZYRCPPY-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COC)C1 ZINC001368249360 919635358 /nfs/dbraw/zinc/63/53/58/919635358.db2.gz NKAVIYOZYRCPPY-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001368249770 919635789 /nfs/dbraw/zinc/63/57/89/919635789.db2.gz LWHWDHAOIQCKFT-IUODEOHRSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001368249770 919635801 /nfs/dbraw/zinc/63/58/01/919635801.db2.gz LWHWDHAOIQCKFT-IUODEOHRSA-N 1 1 322.365 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001368250171 919636557 /nfs/dbraw/zinc/63/65/57/919636557.db2.gz MSOPYQBWYMNBON-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001368250171 919636568 /nfs/dbraw/zinc/63/65/68/919636568.db2.gz MSOPYQBWYMNBON-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001368246652 919637309 /nfs/dbraw/zinc/63/73/09/919637309.db2.gz NOGBDMKILZMWPE-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368250442 919638277 /nfs/dbraw/zinc/63/82/77/919638277.db2.gz NRJWJFTXBDLXKT-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368250442 919638293 /nfs/dbraw/zinc/63/82/93/919638293.db2.gz NRJWJFTXBDLXKT-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001368252220 919638493 /nfs/dbraw/zinc/63/84/93/919638493.db2.gz CIQCPBQMMPOPEJ-NOZJJQNGSA-N 1 1 318.349 -1.257 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001368252220 919638505 /nfs/dbraw/zinc/63/85/05/919638505.db2.gz CIQCPBQMMPOPEJ-NOZJJQNGSA-N 1 1 318.349 -1.257 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251046 919638581 /nfs/dbraw/zinc/63/85/81/919638581.db2.gz NWRPEWMRDFJVAE-TVQRCGJNSA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001368251046 919638590 /nfs/dbraw/zinc/63/85/90/919638590.db2.gz NWRPEWMRDFJVAE-TVQRCGJNSA-N 1 1 310.358 -1.754 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001368253606 919639412 /nfs/dbraw/zinc/63/94/12/919639412.db2.gz IZGPWJOWVXMSTP-SMDDNHRTSA-N 1 1 309.370 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001368253606 919639426 /nfs/dbraw/zinc/63/94/26/919639426.db2.gz IZGPWJOWVXMSTP-SMDDNHRTSA-N 1 1 309.370 -1.257 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001368251819 919640376 /nfs/dbraw/zinc/64/03/76/919640376.db2.gz PSVGICZKUGKJPS-SWLSCSKDSA-N 1 1 321.381 -1.264 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368256429 919640458 /nfs/dbraw/zinc/64/04/58/919640458.db2.gz AOTYFQVWFYSGFN-ZANVPECISA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368256429 919640468 /nfs/dbraw/zinc/64/04/68/919640468.db2.gz AOTYFQVWFYSGFN-ZANVPECISA-N 1 1 308.342 -2.130 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001368251171 919641037 /nfs/dbraw/zinc/64/10/37/919641037.db2.gz YRDQSQRZEDJMFX-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001368257581 919641194 /nfs/dbraw/zinc/64/11/94/919641194.db2.gz FSVBKBJSIBWSOQ-HZMBPMFUSA-N 1 1 309.370 -1.360 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1=O ZINC001368254712 919641397 /nfs/dbraw/zinc/64/13/97/919641397.db2.gz WFCQFNOCNSRGIP-ZDUSSCGKSA-N 1 1 313.358 -2.483 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3cccnc23)C1 ZINC001368257772 919643341 /nfs/dbraw/zinc/64/33/41/919643341.db2.gz NJQOWLHKMWFUFK-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3cccnc23)C1 ZINC001368257772 919643351 /nfs/dbraw/zinc/64/33/51/919643351.db2.gz NJQOWLHKMWFUFK-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001368262595 919644285 /nfs/dbraw/zinc/64/42/85/919644285.db2.gz TTXVLNZXQSGQMG-YGRLFVJLSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cnc2n1CCOC2 ZINC001368261710 919644776 /nfs/dbraw/zinc/64/47/76/919644776.db2.gz RVRPLABZRWVSSY-HNNXBMFYSA-N 1 1 324.381 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001368259091 919645695 /nfs/dbraw/zinc/64/56/95/919645695.db2.gz VTGSQZKDHYZENS-ZWNOBZJWSA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001368259091 919645708 /nfs/dbraw/zinc/64/57/08/919645708.db2.gz VTGSQZKDHYZENS-ZWNOBZJWSA-N 1 1 310.358 -1.862 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368263233 919645799 /nfs/dbraw/zinc/64/57/99/919645799.db2.gz QWBSQHQVZYIFNS-CYBMUJFWSA-N 1 1 300.359 -2.053 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001368260275 919646206 /nfs/dbraw/zinc/64/62/06/919646206.db2.gz CRVMBCHOPYWWNI-SMTWKSNJSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnn2cccnc12 ZINC001368263807 919646307 /nfs/dbraw/zinc/64/63/07/919646307.db2.gz ZWPRTTHSFCYWIM-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368264585 919646518 /nfs/dbraw/zinc/64/65/18/919646518.db2.gz OSNMCMACDHRICO-TVQRCGJNSA-N 1 1 313.358 -2.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368264585 919646529 /nfs/dbraw/zinc/64/65/29/919646529.db2.gz OSNMCMACDHRICO-TVQRCGJNSA-N 1 1 313.358 -2.643 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cn2c(n1)COCC2 ZINC001368265038 919647568 /nfs/dbraw/zinc/64/75/68/919647568.db2.gz TUUJTUPOQXLIHW-CQSZACIVSA-N 1 1 310.354 -1.428 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001368269458 919647614 /nfs/dbraw/zinc/64/76/14/919647614.db2.gz WLGFKWNSVWZWLP-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368266454 919647858 /nfs/dbraw/zinc/64/78/58/919647858.db2.gz PQKBQGZENZQWEM-IAQYHMDHSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368266454 919647870 /nfs/dbraw/zinc/64/78/70/919647870.db2.gz PQKBQGZENZQWEM-IAQYHMDHSA-N 1 1 321.381 -1.042 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H]3CCCCO3)C2)n1 ZINC001368269545 919648287 /nfs/dbraw/zinc/64/82/87/919648287.db2.gz UQBAAZBVKQDYLH-SMDDNHRTSA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001368266504 919648774 /nfs/dbraw/zinc/64/87/74/919648774.db2.gz NLJMHAXBCYUAJM-RNCFNFMXSA-N 1 1 323.357 -2.393 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001368266504 919648786 /nfs/dbraw/zinc/64/87/86/919648786.db2.gz NLJMHAXBCYUAJM-RNCFNFMXSA-N 1 1 323.357 -2.393 20 0 DAADMO Cc1cc(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)no1 ZINC001368270062 919649184 /nfs/dbraw/zinc/64/91/84/919649184.db2.gz OOVMUUHEDUVETO-AWEZNQCLSA-N 1 1 310.354 -1.046 20 0 DAADMO Cc1cc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)no1 ZINC001368270062 919649196 /nfs/dbraw/zinc/64/91/96/919649196.db2.gz OOVMUUHEDUVETO-AWEZNQCLSA-N 1 1 310.354 -1.046 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1=O ZINC001368267226 919649808 /nfs/dbraw/zinc/64/98/08/919649808.db2.gz ZKQKMQXUAMLWLC-LBPRGKRZSA-N 1 1 312.330 -3.380 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001368267226 919649817 /nfs/dbraw/zinc/64/98/17/919649817.db2.gz ZKQKMQXUAMLWLC-LBPRGKRZSA-N 1 1 312.330 -3.380 20 0 DAADMO Cc1ccnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001368269051 919649980 /nfs/dbraw/zinc/64/99/80/919649980.db2.gz WIQSHAZDZYAFJN-XHDPSFHLSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ccnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001368269051 919649991 /nfs/dbraw/zinc/64/99/91/919649991.db2.gz WIQSHAZDZYAFJN-XHDPSFHLSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n1C ZINC001368267536 919650029 /nfs/dbraw/zinc/65/00/29/919650029.db2.gz WTUNITDHAJGGGE-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n1C ZINC001368267536 919650041 /nfs/dbraw/zinc/65/00/41/919650041.db2.gz WTUNITDHAJGGGE-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1=O ZINC001368267204 919650189 /nfs/dbraw/zinc/65/01/89/919650189.db2.gz ZKQKMQXUAMLWLC-GFCCVEGCSA-N 1 1 312.330 -3.380 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001368267204 919650203 /nfs/dbraw/zinc/65/02/03/919650203.db2.gz ZKQKMQXUAMLWLC-GFCCVEGCSA-N 1 1 312.330 -3.380 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368269460 919650382 /nfs/dbraw/zinc/65/03/82/919650382.db2.gz WMHGDNIHRWENRK-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368269460 919650399 /nfs/dbraw/zinc/65/03/99/919650399.db2.gz WMHGDNIHRWENRK-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001368267800 919651297 /nfs/dbraw/zinc/65/12/97/919651297.db2.gz ILQFXCGNFFTGPX-CQSZACIVSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC[C@H]3CCOC3)C2)n1 ZINC001368268551 919651741 /nfs/dbraw/zinc/65/17/41/919651741.db2.gz RWBDLSGQLPZQQM-SMDDNHRTSA-N 1 1 324.385 -1.197 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001368274246 919653270 /nfs/dbraw/zinc/65/32/70/919653270.db2.gz XKJJBGMVOFVLBF-CYBMUJFWSA-N 1 1 320.357 -1.727 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)cn1 ZINC001368272784 919653943 /nfs/dbraw/zinc/65/39/43/919653943.db2.gz NPMXFVXJSSGHBD-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)cn1 ZINC001368272784 919653951 /nfs/dbraw/zinc/65/39/51/919653951.db2.gz NPMXFVXJSSGHBD-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)cn1 ZINC001368272784 919653961 /nfs/dbraw/zinc/65/39/61/919653961.db2.gz NPMXFVXJSSGHBD-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 ZINC001368272784 919653968 /nfs/dbraw/zinc/65/39/68/919653968.db2.gz NPMXFVXJSSGHBD-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)cn1 ZINC001368272784 919653976 /nfs/dbraw/zinc/65/39/76/919653976.db2.gz NPMXFVXJSSGHBD-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001368274103 919654236 /nfs/dbraw/zinc/65/42/36/919654236.db2.gz VZEOYFJGLZLGDZ-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001368274103 919654243 /nfs/dbraw/zinc/65/42/43/919654243.db2.gz VZEOYFJGLZLGDZ-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368275337 919654347 /nfs/dbraw/zinc/65/43/47/919654347.db2.gz GFHLRDHBGGDVKA-CQSZACIVSA-N 1 1 322.369 -1.868 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368275337 919654355 /nfs/dbraw/zinc/65/43/55/919654355.db2.gz GFHLRDHBGGDVKA-CQSZACIVSA-N 1 1 322.369 -1.868 20 0 DAADMO C[C@H](Oc1ccccn1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368275394 919655214 /nfs/dbraw/zinc/65/52/14/919655214.db2.gz GLWTXYIUDXSEDF-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](Oc1ccccn1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368275394 919655222 /nfs/dbraw/zinc/65/52/22/919655222.db2.gz GLWTXYIUDXSEDF-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001368276038 919655240 /nfs/dbraw/zinc/65/52/40/919655240.db2.gz MQASHXGMIJMIHC-WCQYABFASA-N 1 1 320.411 -1.237 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001368276038 919655247 /nfs/dbraw/zinc/65/52/47/919655247.db2.gz MQASHXGMIJMIHC-WCQYABFASA-N 1 1 320.411 -1.237 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)c1nnc[nH]1 ZINC001368272429 919655272 /nfs/dbraw/zinc/65/52/72/919655272.db2.gz LRJHDPQOQZRTSY-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)c1ncn[nH]1 ZINC001368272429 919655282 /nfs/dbraw/zinc/65/52/82/919655282.db2.gz LRJHDPQOQZRTSY-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)c1ncn[nH]1 ZINC001368272429 919655291 /nfs/dbraw/zinc/65/52/91/919655291.db2.gz LRJHDPQOQZRTSY-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)c1nc[nH]n1 ZINC001368272429 919655299 /nfs/dbraw/zinc/65/52/99/919655299.db2.gz LRJHDPQOQZRTSY-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)c1nc[nH]n1 ZINC001368272429 919655309 /nfs/dbraw/zinc/65/53/09/919655309.db2.gz LRJHDPQOQZRTSY-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001368274786 919656056 /nfs/dbraw/zinc/65/60/56/919656056.db2.gz UAUCADMOXBZZOT-BXUZGUMPSA-N 1 1 312.370 -1.488 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001368272079 919656468 /nfs/dbraw/zinc/65/64/68/919656468.db2.gz JXPLSQDMOAGIFW-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001368275406 919656894 /nfs/dbraw/zinc/65/68/94/919656894.db2.gz JATKFSMPRXYQDN-MEBBXXQBSA-N 1 1 322.365 -1.272 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273715 919656981 /nfs/dbraw/zinc/65/69/81/919656981.db2.gz QNQOCVLBRIMVRC-GWCFXTLKSA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001368273715 919656992 /nfs/dbraw/zinc/65/69/92/919656992.db2.gz QNQOCVLBRIMVRC-GWCFXTLKSA-N 1 1 309.326 -1.533 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001368276988 919660242 /nfs/dbraw/zinc/66/02/42/919660242.db2.gz PNABSACMRYVWOX-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001368276988 919660249 /nfs/dbraw/zinc/66/02/49/919660249.db2.gz PNABSACMRYVWOX-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001368277612 919660402 /nfs/dbraw/zinc/66/04/02/919660402.db2.gz KYKRLXQTAWUTBC-XHDPSFHLSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001368277612 919660413 /nfs/dbraw/zinc/66/04/13/919660413.db2.gz KYKRLXQTAWUTBC-XHDPSFHLSA-N 1 1 323.397 -1.128 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278071 919660547 /nfs/dbraw/zinc/66/05/47/919660547.db2.gz JVSZICRJDYDBJT-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278071 919660558 /nfs/dbraw/zinc/66/05/58/919660558.db2.gz JVSZICRJDYDBJT-YMTOWFKASA-N 1 1 308.338 -1.172 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001368280559 919660666 /nfs/dbraw/zinc/66/06/66/919660666.db2.gz BCGPXZQEVRDVCC-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368286875 919666525 /nfs/dbraw/zinc/66/65/25/919666525.db2.gz DVTAZHITJWPMBP-LLVKDONJSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368286875 919666534 /nfs/dbraw/zinc/66/65/34/919666534.db2.gz DVTAZHITJWPMBP-LLVKDONJSA-N 1 1 324.385 -2.191 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001368293894 919673254 /nfs/dbraw/zinc/67/32/54/919673254.db2.gz FIISGSWKFZJIHO-CHWSQXEVSA-N 1 1 314.382 -1.009 20 0 DAADMO O=C(CO[C@H]1CCOC1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001368293895 919673520 /nfs/dbraw/zinc/67/35/20/919673520.db2.gz FIISGSWKFZJIHO-OLZOCXBDSA-N 1 1 314.382 -1.009 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001368293229 919673612 /nfs/dbraw/zinc/67/36/12/919673612.db2.gz WUDHOMTYHHPHAL-LLVKDONJSA-N 1 1 315.370 -1.068 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001368298675 919675144 /nfs/dbraw/zinc/67/51/44/919675144.db2.gz KYLJWTQOJPYFGN-UHFFFAOYSA-N 1 1 310.354 -1.232 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001368301935 919679270 /nfs/dbraw/zinc/67/92/70/919679270.db2.gz BLNSBPUDMGNXPO-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)c1c[nH]c(=O)cn1 ZINC001368304566 919682647 /nfs/dbraw/zinc/68/26/47/919682647.db2.gz BSRLTDSDZHMJLY-NSHDSACASA-N 1 1 322.365 -1.027 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)c1c[nH]c(=O)cn1 ZINC001368304562 919683473 /nfs/dbraw/zinc/68/34/73/919683473.db2.gz BSRLTDSDZHMJLY-LLVKDONJSA-N 1 1 322.365 -1.027 20 0 DAADMO CN1CCN(CC(=O)NCC2(O)C[NH+](CC3CC3)C2)CC1=O ZINC001368305750 919683552 /nfs/dbraw/zinc/68/35/52/919683552.db2.gz JUKPTKLYIBKBIZ-UHFFFAOYSA-N 1 1 310.398 -1.667 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001368322271 919695218 /nfs/dbraw/zinc/69/52/18/919695218.db2.gz QNNUIBSUYRFLGM-NSHDSACASA-N 1 1 300.403 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@H](CC)C(N)=O)C1 ZINC001368322416 919695969 /nfs/dbraw/zinc/69/59/69/919695969.db2.gz XALAGEONYKCNME-LLVKDONJSA-N 1 1 300.403 -1.245 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001368320227 919696338 /nfs/dbraw/zinc/69/63/38/919696338.db2.gz YKARWLQPPGABLX-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cnnn1)C2 ZINC001368336737 919698639 /nfs/dbraw/zinc/69/86/39/919698639.db2.gz JVZYDNGMJBTJBK-ZSBIGDGJSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368325250 919698740 /nfs/dbraw/zinc/69/87/40/919698740.db2.gz JPPJGKHZDRUBGU-QWRGUYRKSA-N 1 1 323.401 -1.614 20 0 DAADMO C[C@H](c1nncn1C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368328197 919698921 /nfs/dbraw/zinc/69/89/21/919698921.db2.gz VBDLATKWHCARMQ-VXGBXAGGSA-N 1 1 322.413 -1.009 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001368357509 919700838 /nfs/dbraw/zinc/70/08/38/919700838.db2.gz RHTAXLLIXYNHNV-GARJFASQSA-N 1 1 323.397 -1.288 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C1 ZINC001368346546 919701107 /nfs/dbraw/zinc/70/11/07/919701107.db2.gz NWGDYGQYKAOVGC-HZSPNIEDSA-N 1 1 313.398 -1.138 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001368363035 919701563 /nfs/dbraw/zinc/70/15/63/919701563.db2.gz BKGXYYSBBFBKPT-OCCSQVGLSA-N 1 1 312.370 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001368355978 919702886 /nfs/dbraw/zinc/70/28/86/919702886.db2.gz QFXCVHPUGOEQHK-TUAOUCFPSA-N 1 1 323.397 -1.416 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)NC1=O ZINC001368368140 919704588 /nfs/dbraw/zinc/70/45/88/919704588.db2.gz ATUNAJQIPBWSBU-BXUZGUMPSA-N 1 1 314.386 -1.665 20 0 DAADMO COC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001368367459 919704758 /nfs/dbraw/zinc/70/47/58/919704758.db2.gz OKEMNPQLVLNBNB-CYBMUJFWSA-N 1 1 303.359 -1.332 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001368365117 919705073 /nfs/dbraw/zinc/70/50/73/919705073.db2.gz IJGZNUOZFWMNAG-SGMGOOAPSA-N 1 1 304.387 -1.028 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)NC1=O ZINC001368368141 919705205 /nfs/dbraw/zinc/70/52/05/919705205.db2.gz ATUNAJQIPBWSBU-FZMZJTMJSA-N 1 1 314.386 -1.665 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368371128 919705595 /nfs/dbraw/zinc/70/55/95/919705595.db2.gz HBDCQQVWAKYFFT-HNNXBMFYSA-N 1 1 312.414 -1.229 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001368365113 919705619 /nfs/dbraw/zinc/70/56/19/919705619.db2.gz IJGZNUOZFWMNAG-DYEKYZERSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1ccc2n[nH]nc2n1 ZINC001368374953 919707034 /nfs/dbraw/zinc/70/70/34/919707034.db2.gz LWZJUJWTGCNDPY-AWEZNQCLSA-N 1 1 320.353 -1.098 20 0 DAADMO CNC(=O)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368377576 919709569 /nfs/dbraw/zinc/70/95/69/919709569.db2.gz XNRGFTATFNBSBA-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1ccn2nnnc2c1 ZINC001368381386 919711211 /nfs/dbraw/zinc/71/12/11/919711211.db2.gz VFDGKFCXMCGFJN-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001368393399 919712712 /nfs/dbraw/zinc/71/27/12/919712712.db2.gz SXEWPEYVBOEPAW-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cnnn1C)c1nncn1C ZINC001368390937 919715788 /nfs/dbraw/zinc/71/57/88/919715788.db2.gz FPOAKIFLTAJXPT-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001368393405 919716119 /nfs/dbraw/zinc/71/61/19/919716119.db2.gz SXEWPEYVBOEPAW-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001368403758 919717066 /nfs/dbraw/zinc/71/70/66/919717066.db2.gz WCCSRCHFERYVIQ-GHMZBOCLSA-N 1 1 310.354 -1.077 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441862 919725054 /nfs/dbraw/zinc/72/50/54/919725054.db2.gz XBKSDIAUQAMUEA-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441862 919725064 /nfs/dbraw/zinc/72/50/64/919725064.db2.gz XBKSDIAUQAMUEA-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001368501594 919727664 /nfs/dbraw/zinc/72/76/64/919727664.db2.gz DUEOWSJJOOOSTC-DTORHVGOSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001368501594 919727680 /nfs/dbraw/zinc/72/76/80/919727680.db2.gz DUEOWSJJOOOSTC-DTORHVGOSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001368495383 919729813 /nfs/dbraw/zinc/72/98/13/919729813.db2.gz GTLLRNORUMFOJV-LPEHRKFASA-N 1 1 309.374 -1.294 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001368505790 919730958 /nfs/dbraw/zinc/73/09/58/919730958.db2.gz OJTLSWKAHVNMQE-CYBMUJFWSA-N 1 1 324.385 -1.390 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001368505793 919733180 /nfs/dbraw/zinc/73/31/80/919733180.db2.gz OJTLSWKAHVNMQE-ZDUSSCGKSA-N 1 1 324.385 -1.390 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001368505004 919733969 /nfs/dbraw/zinc/73/39/69/919733969.db2.gz XTIHMVVVCNQRPE-SNVBAGLBSA-N 1 1 311.346 -2.337 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001368546136 919738432 /nfs/dbraw/zinc/73/84/32/919738432.db2.gz DRDWFWJOUUNJDF-NWDGAFQWSA-N 1 1 316.402 -1.202 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001368561559 919739004 /nfs/dbraw/zinc/73/90/04/919739004.db2.gz WQPFGUAXTFICMT-UHFFFAOYSA-N 1 1 312.370 -1.530 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1cncn1C ZINC001368562062 919739500 /nfs/dbraw/zinc/73/95/00/919739500.db2.gz KGVUYFZRSRNJGM-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001368561791 919740902 /nfs/dbraw/zinc/74/09/02/919740902.db2.gz YTIDCIRJNZGZTI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001368546138 919741059 /nfs/dbraw/zinc/74/10/59/919741059.db2.gz DRDWFWJOUUNJDF-VXGBXAGGSA-N 1 1 316.402 -1.202 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001368536410 919741215 /nfs/dbraw/zinc/74/12/15/919741215.db2.gz LJPMOISDBPPEQG-DTORHVGOSA-N 1 1 310.362 -1.747 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001368535535 919741242 /nfs/dbraw/zinc/74/12/42/919741242.db2.gz SUTCJYGJXZLZKE-LLVKDONJSA-N 1 1 324.385 -1.212 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001368553540 919742014 /nfs/dbraw/zinc/74/20/14/919742014.db2.gz MEDJNBZQLJHXMP-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368566195 919743346 /nfs/dbraw/zinc/74/33/46/919743346.db2.gz JTXUOWNLTQBWIG-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCC(=O)NC[C@@H]1CCC2(C[NH+](C[C@@H](O)COC)C2)O1 ZINC001368577647 919744889 /nfs/dbraw/zinc/74/48/89/919744889.db2.gz WQGKVNPRGWSZAE-NEPJUHHUSA-N 1 1 302.371 -1.010 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC001368618123 919751787 /nfs/dbraw/zinc/75/17/87/919751787.db2.gz VMNDUGSDHHRNFE-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC001368672218 919757048 /nfs/dbraw/zinc/75/70/48/919757048.db2.gz AJVSXTKPWBCRBR-SECBINFHSA-N 1 1 320.415 -1.762 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC001368672218 919757055 /nfs/dbraw/zinc/75/70/55/919757055.db2.gz AJVSXTKPWBCRBR-SECBINFHSA-N 1 1 320.415 -1.762 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H](C)NC(N)=O)CC2)C1 ZINC001368670201 919757455 /nfs/dbraw/zinc/75/74/55/919757455.db2.gz HAIWWTUZSVZETO-NSHDSACASA-N 1 1 313.402 -1.482 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001368664208 919757496 /nfs/dbraw/zinc/75/74/96/919757496.db2.gz GOZDJUQCGJYSDG-GXSJLCMTSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001368671562 919759585 /nfs/dbraw/zinc/75/95/85/919759585.db2.gz UVMJLBWKXNJMRY-GXSJLCMTSA-N 1 1 309.374 -1.190 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CCn1cnnn1 ZINC001368677613 919761145 /nfs/dbraw/zinc/76/11/45/919761145.db2.gz XTZZGLXMJRGSRQ-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CCn1cnnn1 ZINC001368677613 919761157 /nfs/dbraw/zinc/76/11/57/919761157.db2.gz XTZZGLXMJRGSRQ-SNVBAGLBSA-N 1 1 309.374 -1.235 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001368694961 919761568 /nfs/dbraw/zinc/76/15/68/919761568.db2.gz PBOSLVVRGHVAMG-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO COCC(=O)N1CCN(C2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001368677636 919762507 /nfs/dbraw/zinc/76/25/07/919762507.db2.gz WXQRORGQACTHQR-ZDUSSCGKSA-N 1 1 301.387 -1.532 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CC[N@@H+]1CC(=O)NC(N)=O ZINC001368676992 919763490 /nfs/dbraw/zinc/76/34/90/919763490.db2.gz YTGTVASKEIAPQK-VHSXEESVSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(C)=O)CC[N@H+]1CC(=O)NC(N)=O ZINC001368676992 919763502 /nfs/dbraw/zinc/76/35/02/919763502.db2.gz YTGTVASKEIAPQK-VHSXEESVSA-N 1 1 313.358 -1.714 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001368694958 919763546 /nfs/dbraw/zinc/76/35/46/919763546.db2.gz PBOSLVVRGHVAMG-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001368728166 919765043 /nfs/dbraw/zinc/76/50/43/919765043.db2.gz GGIWMNSOQYFKEV-GFCCVEGCSA-N 1 1 309.370 -1.346 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001368728166 919765052 /nfs/dbraw/zinc/76/50/52/919765052.db2.gz GGIWMNSOQYFKEV-GFCCVEGCSA-N 1 1 309.370 -1.346 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001368721791 919765847 /nfs/dbraw/zinc/76/58/47/919765847.db2.gz YWPVCUKASUMYPV-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001368721791 919765857 /nfs/dbraw/zinc/76/58/57/919765857.db2.gz YWPVCUKASUMYPV-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001368720125 919766524 /nfs/dbraw/zinc/76/65/24/919766524.db2.gz SUFSZYCLCDETMB-GFCCVEGCSA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001368720125 919766530 /nfs/dbraw/zinc/76/65/30/919766530.db2.gz SUFSZYCLCDETMB-GFCCVEGCSA-N 1 1 309.370 -1.277 20 0 DAADMO Cc1nonc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001368733028 919767581 /nfs/dbraw/zinc/76/75/81/919767581.db2.gz UQMSPLFCUWRFMO-JTQLQIEISA-N 1 1 311.342 -1.238 20 0 DAADMO Cc1nonc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001368733028 919767597 /nfs/dbraw/zinc/76/75/97/919767597.db2.gz UQMSPLFCUWRFMO-JTQLQIEISA-N 1 1 311.342 -1.238 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001368727114 919767972 /nfs/dbraw/zinc/76/79/72/919767972.db2.gz ADVIFIPOLWCGEH-GFCCVEGCSA-N 1 1 322.427 -1.301 20 0 DAADMO C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001368763447 919769010 /nfs/dbraw/zinc/76/90/10/919769010.db2.gz XDOGZETXANBIEC-SNVBAGLBSA-N 1 1 320.411 -1.645 20 0 DAADMO CNC(=O)CN1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001368768794 919770892 /nfs/dbraw/zinc/77/08/92/919770892.db2.gz MKERLAYMGGGRFX-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[N@H+](CC(=O)NC)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001368774270 919772678 /nfs/dbraw/zinc/77/26/78/919772678.db2.gz NXSYPRASZHAAPF-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001368797544 919773881 /nfs/dbraw/zinc/77/38/81/919773881.db2.gz OIWOBEAGJIILFO-DTWKUNHWSA-N 1 1 323.357 -1.076 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001368798564 919775233 /nfs/dbraw/zinc/77/52/33/919775233.db2.gz CLLJWQCXNBAXEI-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001368798564 919775238 /nfs/dbraw/zinc/77/52/38/919775238.db2.gz CLLJWQCXNBAXEI-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368812504 919777949 /nfs/dbraw/zinc/77/79/49/919777949.db2.gz VHNOHRWXUANDAR-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC001368812839 919779510 /nfs/dbraw/zinc/77/95/10/919779510.db2.gz YNYOWBAPNWLJND-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC001368863112 919780921 /nfs/dbraw/zinc/78/09/21/919780921.db2.gz WXTYMNSCDWVQGA-VHSXEESVSA-N 1 1 322.373 -1.607 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001368936772 919785172 /nfs/dbraw/zinc/78/51/72/919785172.db2.gz YWWYOKRGUYKEGV-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001368929691 919786380 /nfs/dbraw/zinc/78/63/80/919786380.db2.gz AMUFAKOEIKYWCL-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001368929691 919786388 /nfs/dbraw/zinc/78/63/88/919786388.db2.gz AMUFAKOEIKYWCL-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cnon2)c(=O)n1C ZINC001368898725 919787517 /nfs/dbraw/zinc/78/75/17/919787517.db2.gz OPASRALTEVTYNR-IUCAKERBSA-N 1 1 323.357 -1.044 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368929983 919787764 /nfs/dbraw/zinc/78/77/64/919787764.db2.gz BVUBQPXRAYBABB-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368929983 919787777 /nfs/dbraw/zinc/78/77/77/919787777.db2.gz BVUBQPXRAYBABB-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001368941210 919789032 /nfs/dbraw/zinc/78/90/32/919789032.db2.gz OZSYVNPQQGFTPN-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)CC(=O)NC(N)=O ZINC001368969246 919789420 /nfs/dbraw/zinc/78/94/20/919789420.db2.gz UWPWGKCKJSRLBW-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970573 919789901 /nfs/dbraw/zinc/78/99/01/919789901.db2.gz JWRNCKBCUXYDTB-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970573 919789911 /nfs/dbraw/zinc/78/99/11/919789911.db2.gz JWRNCKBCUXYDTB-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001368938643 919789936 /nfs/dbraw/zinc/78/99/36/919789936.db2.gz PDXCMDYLWGLKGA-RYUDHWBXSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@H+](C)[C@H](C)C(N)=O ZINC001368971214 919790224 /nfs/dbraw/zinc/79/02/24/919790224.db2.gz WJXQRGMEWPNYGI-RKDXNWHRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@@H+](C)[C@H](C)C(N)=O ZINC001368971214 919790234 /nfs/dbraw/zinc/79/02/34/919790234.db2.gz WJXQRGMEWPNYGI-RKDXNWHRSA-N 1 1 311.342 -1.741 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001368950611 919790278 /nfs/dbraw/zinc/79/02/78/919790278.db2.gz VWCDRXIIPJQLBB-ZWNOBZJWSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CC1CC1 ZINC001368973008 919790961 /nfs/dbraw/zinc/79/09/61/919790961.db2.gz SLLWXQVYZNLDDO-ONGXEEELSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)[N@H+](C)CC(=O)NC(N)=O ZINC001368967393 919791534 /nfs/dbraw/zinc/79/15/34/919791534.db2.gz WKYDFNPPFJEUIG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001368967393 919791543 /nfs/dbraw/zinc/79/15/43/919791543.db2.gz WKYDFNPPFJEUIG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970577 919791598 /nfs/dbraw/zinc/79/15/98/919791598.db2.gz JWRNCKBCUXYDTB-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970577 919791616 /nfs/dbraw/zinc/79/16/16/919791616.db2.gz JWRNCKBCUXYDTB-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001368944555 919791717 /nfs/dbraw/zinc/79/17/17/919791717.db2.gz YGESTFUUPBMEPZ-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001368944555 919791731 /nfs/dbraw/zinc/79/17/31/919791731.db2.gz YGESTFUUPBMEPZ-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO COc1nc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001368974417 919792376 /nfs/dbraw/zinc/79/23/76/919792376.db2.gz WCCBBZRCUZPKNU-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001368974417 919792380 /nfs/dbraw/zinc/79/23/80/919792380.db2.gz WCCBBZRCUZPKNU-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368988031 919794025 /nfs/dbraw/zinc/79/40/25/919794025.db2.gz YDPBVRNADXBSTN-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368988031 919794034 /nfs/dbraw/zinc/79/40/34/919794034.db2.gz YDPBVRNADXBSTN-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(CC(=O)N2CCC2)C1 ZINC001369014790 919794099 /nfs/dbraw/zinc/79/40/99/919794099.db2.gz FFQZDPIQFDYVGS-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001368994890 919794788 /nfs/dbraw/zinc/79/47/88/919794788.db2.gz BBICOVDTDSYRNG-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368998710 919795882 /nfs/dbraw/zinc/79/58/82/919795882.db2.gz IJPBKUTZTOLAKD-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368998710 919795896 /nfs/dbraw/zinc/79/58/96/919795896.db2.gz IJPBKUTZTOLAKD-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC1CC1 ZINC001368986280 919795959 /nfs/dbraw/zinc/79/59/59/919795959.db2.gz OKAAVLDYFVBDNB-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC1CC1 ZINC001368986280 919795972 /nfs/dbraw/zinc/79/59/72/919795972.db2.gz OKAAVLDYFVBDNB-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001368994885 919796047 /nfs/dbraw/zinc/79/60/47/919796047.db2.gz BBICOVDTDSYRNG-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001368983554 919796476 /nfs/dbraw/zinc/79/64/76/919796476.db2.gz IDAWYXFQYAHENJ-AEJSXWLSSA-N 1 1 316.358 -1.972 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)Cc1cnn(C)c1 ZINC001368986267 919796557 /nfs/dbraw/zinc/79/65/57/919796557.db2.gz OGNSPNQHLZUYMR-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)Cc1cnn(C)c1 ZINC001368986267 919796573 /nfs/dbraw/zinc/79/65/73/919796573.db2.gz OGNSPNQHLZUYMR-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO Cn1nnnc1CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001369016202 919798875 /nfs/dbraw/zinc/79/88/75/919798875.db2.gz PUIWUQVZWFTEFM-LLVKDONJSA-N 1 1 323.401 -1.643 20 0 DAADMO Cn1nnc(CN2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001369017629 919799625 /nfs/dbraw/zinc/79/96/25/919799625.db2.gz ZDLRYTBAHVGIBR-LLVKDONJSA-N 1 1 323.401 -1.643 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001369015493 919799742 /nfs/dbraw/zinc/79/97/42/919799742.db2.gz WVBYHCRTCCXWPK-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO C[C@H](NC(=O)CCn1ccnn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001369071526 919809111 /nfs/dbraw/zinc/80/91/11/919809111.db2.gz DEGXYSUTPDDBNL-JQWIXIFHSA-N 1 1 306.370 -1.007 20 0 DAADMO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCS(C)(=O)=O)C1 ZINC001369079256 919811159 /nfs/dbraw/zinc/81/11/59/919811159.db2.gz XVCOETCROMHQLE-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C)C(N)=O ZINC001369111224 919814470 /nfs/dbraw/zinc/81/44/70/919814470.db2.gz FTLFJRUTWBDONP-QWRGUYRKSA-N 1 1 314.386 -1.815 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001369113707 919814999 /nfs/dbraw/zinc/81/49/99/919814999.db2.gz USZHAZGPZHGVFA-MNOVXSKESA-N 1 1 312.374 -1.493 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001369097275 919815167 /nfs/dbraw/zinc/81/51/67/919815167.db2.gz IJGBFUZXWCSQBB-GHMZBOCLSA-N 1 1 323.401 -1.024 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001369111677 919816053 /nfs/dbraw/zinc/81/60/53/919816053.db2.gz ZFLPNMNZKJGNCU-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC001369110356 919816236 /nfs/dbraw/zinc/81/62/36/919816236.db2.gz LSBZUVVQBFFHMO-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC001369110356 919816247 /nfs/dbraw/zinc/81/62/47/919816247.db2.gz LSBZUVVQBFFHMO-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001369126040 919816914 /nfs/dbraw/zinc/81/69/14/919816914.db2.gz XKJMJCOSECVHOO-WKJUBOCMSA-N 1 1 320.353 -1.099 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001369130837 919817144 /nfs/dbraw/zinc/81/71/44/919817144.db2.gz BXKSHESVLAYRMK-CHWFTXMASA-N 1 1 310.354 -1.475 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)CC1(C)C ZINC001369122084 919817252 /nfs/dbraw/zinc/81/72/52/919817252.db2.gz SZDQWWVYTKMJSA-NXEZZACHSA-N 1 1 322.431 -1.752 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001369117647 919817356 /nfs/dbraw/zinc/81/73/56/919817356.db2.gz UEPXNLMELZUYFP-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001369117647 919817372 /nfs/dbraw/zinc/81/73/72/919817372.db2.gz UEPXNLMELZUYFP-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccon3)[C@@H]2C1 ZINC001369120665 919818647 /nfs/dbraw/zinc/81/86/47/919818647.db2.gz OEHQNTBFWUNTBH-PSVAKVPMSA-N 1 1 307.310 -1.223 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001369126010 919819049 /nfs/dbraw/zinc/81/90/49/919819049.db2.gz XKJMJCOSECVHOO-DMLMCSCLSA-N 1 1 320.353 -1.099 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001369138128 919820418 /nfs/dbraw/zinc/82/04/18/919820418.db2.gz SPKJATYJCPJOBY-KKOKHZNYSA-N 1 1 321.385 -1.556 20 0 DAADMO COCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001369150877 919822740 /nfs/dbraw/zinc/82/27/40/919822740.db2.gz VMWSSGARMUMJIH-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC([N@@H+](C)CCO)CC1)C(N)=O ZINC001369186779 919827284 /nfs/dbraw/zinc/82/72/84/919827284.db2.gz DAOGRVNYBDLTOW-LBPRGKRZSA-N 1 1 314.386 -1.718 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001369167764 919827877 /nfs/dbraw/zinc/82/78/77/919827877.db2.gz UCIHXONGGCTHMU-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001369167764 919827891 /nfs/dbraw/zinc/82/78/91/919827891.db2.gz UCIHXONGGCTHMU-GMTAPVOTSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001369256400 919834011 /nfs/dbraw/zinc/83/40/11/919834011.db2.gz CFMARIHAVIYUNM-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccon1 ZINC001369263426 919834669 /nfs/dbraw/zinc/83/46/69/919834669.db2.gz GXCDSRVKUMAICT-SECBINFHSA-N 1 1 319.387 -1.335 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001369257497 919835374 /nfs/dbraw/zinc/83/53/74/919835374.db2.gz SSHVTILBDKNQSA-VIFPVBQESA-N 1 1 324.389 -1.127 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001369256403 919835523 /nfs/dbraw/zinc/83/55/23/919835523.db2.gz CFMARIHAVIYUNM-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001369265475 919836171 /nfs/dbraw/zinc/83/61/71/919836171.db2.gz VBVFDRBQLZCJPV-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001369247423 919836509 /nfs/dbraw/zinc/83/65/09/919836509.db2.gz LOELMELOKHQBRL-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001369301957 919837722 /nfs/dbraw/zinc/83/77/22/919837722.db2.gz BAUICQIKCQMVMC-VIFPVBQESA-N 1 1 319.387 -2.091 20 0 DAADMO C[C@H](CN(C)C(=O)CCNC(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001369284993 919838579 /nfs/dbraw/zinc/83/85/79/919838579.db2.gz BPXFVXZXUBYAKD-BDAKNGLRSA-N 1 1 312.378 -1.234 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(F)F)Nc1nncs1 ZINC001369294755 919838663 /nfs/dbraw/zinc/83/86/63/919838663.db2.gz ISWDRSBUQPPCBX-YFKPBYRVSA-N 1 1 309.298 -1.192 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001369301955 919840403 /nfs/dbraw/zinc/84/04/03/919840403.db2.gz BAUICQIKCQMVMC-SECBINFHSA-N 1 1 319.387 -2.091 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2nncs2)C1 ZINC001369314078 919844754 /nfs/dbraw/zinc/84/47/54/919844754.db2.gz QFFOFUHKTJDYQA-UWVGGRQHSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2nncs2)C1 ZINC001369314078 919844766 /nfs/dbraw/zinc/84/47/66/919844766.db2.gz QFFOFUHKTJDYQA-UWVGGRQHSA-N 1 1 315.399 -1.565 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369313073 919846320 /nfs/dbraw/zinc/84/63/20/919846320.db2.gz NXRUXZPIBGJELL-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369313073 919846329 /nfs/dbraw/zinc/84/63/29/919846329.db2.gz NXRUXZPIBGJELL-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001369314512 919848721 /nfs/dbraw/zinc/84/87/21/919848721.db2.gz RZKQQNLUECOUQE-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001369314512 919848739 /nfs/dbraw/zinc/84/87/39/919848739.db2.gz RZKQQNLUECOUQE-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001369314524 919849177 /nfs/dbraw/zinc/84/91/77/919849177.db2.gz RZKQQNLUECOUQE-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001369314524 919849194 /nfs/dbraw/zinc/84/91/94/919849194.db2.gz RZKQQNLUECOUQE-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)n1cncn1 ZINC001369324128 919856988 /nfs/dbraw/zinc/85/69/88/919856988.db2.gz RZKOFJGGOAYZPR-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NCC(=O)N1CCC1)C1CCC1 ZINC001369326270 919859771 /nfs/dbraw/zinc/85/97/71/919859771.db2.gz TXPOYHUKCDEFEM-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)N1CCC1)C1CCC1 ZINC001369326270 919859790 /nfs/dbraw/zinc/85/97/90/919859790.db2.gz TXPOYHUKCDEFEM-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1nncc1CN[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001369325420 919859840 /nfs/dbraw/zinc/85/98/40/919859840.db2.gz RFLABYQTLYQYQW-NSHDSACASA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001369330701 919863092 /nfs/dbraw/zinc/86/30/92/919863092.db2.gz XWANETHCAWKWRO-ZIAGYGMSSA-N 1 1 324.425 -1.373 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001369329223 919863991 /nfs/dbraw/zinc/86/39/91/919863991.db2.gz AYHRCCUVQJQKCO-LLVKDONJSA-N 1 1 306.326 -1.204 20 0 DAADMO CN(CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)C(=O)C1CC1 ZINC001369332031 919864253 /nfs/dbraw/zinc/86/42/53/919864253.db2.gz BUSKSCXJNWEGTR-GFCCVEGCSA-N 1 1 323.397 -1.145 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001369330777 919865431 /nfs/dbraw/zinc/86/54/31/919865431.db2.gz GBWNOFAILOZGGR-ONGXEEELSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001369328849 919866187 /nfs/dbraw/zinc/86/61/87/919866187.db2.gz HNZYRLCMLICEHA-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369330747 919866276 /nfs/dbraw/zinc/86/62/76/919866276.db2.gz XXCKTBVRNUXVRE-IJLUTSLNSA-N 1 1 300.403 -1.471 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001369330747 919866294 /nfs/dbraw/zinc/86/62/94/919866294.db2.gz XXCKTBVRNUXVRE-IJLUTSLNSA-N 1 1 300.403 -1.471 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1C ZINC001369334443 919868158 /nfs/dbraw/zinc/86/81/58/919868158.db2.gz HAKIROAXERYRHX-WDEREUQCSA-N 1 1 310.358 -2.023 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001369334027 919868247 /nfs/dbraw/zinc/86/82/47/919868247.db2.gz MWFKQUKUJWZSCG-SNVBAGLBSA-N 1 1 322.373 -1.087 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001369333634 919869419 /nfs/dbraw/zinc/86/94/19/919869419.db2.gz NKCYEWYCNSXYQZ-MWLCHTKSSA-N 1 1 312.326 -1.088 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCN(C)C2=O)n1 ZINC001369333973 919869766 /nfs/dbraw/zinc/86/97/66/919869766.db2.gz HFQACRGEDLFZAI-AAEUAGOBSA-N 1 1 323.397 -1.145 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001369338153 919875341 /nfs/dbraw/zinc/87/53/41/919875341.db2.gz FVADMJXXLLXAET-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001369342936 919879041 /nfs/dbraw/zinc/87/90/41/919879041.db2.gz TUQPZKLKPBQVLX-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)n1 ZINC001369340749 919879559 /nfs/dbraw/zinc/87/95/59/919879559.db2.gz WXLUISNWMJESNC-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001369340941 919879694 /nfs/dbraw/zinc/87/96/94/919879694.db2.gz IMENBCCGIYBDFR-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001369340455 919880547 /nfs/dbraw/zinc/88/05/47/919880547.db2.gz WUAAJVAETLTGSB-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001369340951 919881015 /nfs/dbraw/zinc/88/10/15/919881015.db2.gz IMENBCCGIYBDFR-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)nn1C ZINC001369345949 919882978 /nfs/dbraw/zinc/88/29/78/919882978.db2.gz OBSZXIVDJJZMAU-DGCLKSJQSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)nn1C ZINC001369345963 919884087 /nfs/dbraw/zinc/88/40/87/919884087.db2.gz OBSZXIVDJJZMAU-YPMHNXCESA-N 1 1 323.397 -1.179 20 0 DAADMO COc1nccc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001369353528 919891005 /nfs/dbraw/zinc/89/10/05/919891005.db2.gz WAMZUCYUAARZNX-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001369353133 919891518 /nfs/dbraw/zinc/89/15/18/919891518.db2.gz BGUVOXKWEUDNLB-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001369350338 919891835 /nfs/dbraw/zinc/89/18/35/919891835.db2.gz YFAQFURCPDPJST-ZETCQYMHSA-N 1 1 302.360 -1.966 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001369360503 919894876 /nfs/dbraw/zinc/89/48/76/919894876.db2.gz IALPYPOYZCLNMX-HZMBPMFUSA-N 1 1 318.393 -1.249 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001369360503 919894891 /nfs/dbraw/zinc/89/48/91/919894891.db2.gz IALPYPOYZCLNMX-HZMBPMFUSA-N 1 1 318.393 -1.249 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)cn1 ZINC001369357036 919896055 /nfs/dbraw/zinc/89/60/55/919896055.db2.gz ZEHDYFYGIKSKIZ-NWDGAFQWSA-N 1 1 322.369 -1.625 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001369360345 919896082 /nfs/dbraw/zinc/89/60/82/919896082.db2.gz GRZVVHCWOUVPKE-GXSJLCMTSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)cn1 ZINC001369356213 919896376 /nfs/dbraw/zinc/89/63/76/919896376.db2.gz VXXNXJBUCRAXDA-QWHCGFSZSA-N 1 1 321.381 -1.027 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001369363117 919897810 /nfs/dbraw/zinc/89/78/10/919897810.db2.gz ONMRPQBQCKBSLR-GHMZBOCLSA-N 1 1 324.385 -1.467 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCCS1(=O)=O ZINC001369361627 919898268 /nfs/dbraw/zinc/89/82/68/919898268.db2.gz LFFRLUBCJUTSCM-KCJUWKMLSA-N 1 1 307.372 -2.494 20 0 DAADMO C[C@]1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCCS1(=O)=O ZINC001369361640 919899293 /nfs/dbraw/zinc/89/92/93/919899293.db2.gz LFFRLUBCJUTSCM-LDYMZIIASA-N 1 1 307.372 -2.494 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCCS1(=O)=O ZINC001369361633 919899559 /nfs/dbraw/zinc/89/95/59/919899559.db2.gz LFFRLUBCJUTSCM-KWQFWETISA-N 1 1 307.372 -2.494 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001369361084 919899651 /nfs/dbraw/zinc/89/96/51/919899651.db2.gz JVKRSOHTPNFHFV-NSHDSACASA-N 1 1 309.330 -1.373 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001369366853 919901804 /nfs/dbraw/zinc/90/18/04/919901804.db2.gz WEOUXLNAPBUEIX-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001369366853 919901809 /nfs/dbraw/zinc/90/18/09/919901809.db2.gz WEOUXLNAPBUEIX-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001369366799 919902622 /nfs/dbraw/zinc/90/26/22/919902622.db2.gz WEOUXLNAPBUEIX-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001369366799 919902634 /nfs/dbraw/zinc/90/26/34/919902634.db2.gz WEOUXLNAPBUEIX-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001369369992 919906978 /nfs/dbraw/zinc/90/69/78/919906978.db2.gz DHHQRQSMNOJJNL-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H](C)C(=O)N(C)C ZINC001369370771 919907574 /nfs/dbraw/zinc/90/75/74/919907574.db2.gz FIJCZCZESPBWAU-NWDGAFQWSA-N 1 1 302.419 -1.130 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H](C)C(=O)N(C)C ZINC001369370771 919907584 /nfs/dbraw/zinc/90/75/84/919907584.db2.gz FIJCZCZESPBWAU-NWDGAFQWSA-N 1 1 302.419 -1.130 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001369380124 919914206 /nfs/dbraw/zinc/91/42/06/919914206.db2.gz LZYQIRNHGBGFKD-SNVBAGLBSA-N 1 1 310.358 -1.964 20 0 DAADMO Cn1cnnc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369382921 919917251 /nfs/dbraw/zinc/91/72/51/919917251.db2.gz PRVSRUSCOYZEKK-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO CN(CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)S(C)(=O)=O ZINC001369393874 919919027 /nfs/dbraw/zinc/91/90/27/919919027.db2.gz DDAARTCDSJNLRO-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001369407464 919921649 /nfs/dbraw/zinc/92/16/49/919921649.db2.gz USMBKDCDYDEJKK-WDMOLILDSA-N 1 1 324.385 -1.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC001369407433 919922011 /nfs/dbraw/zinc/92/20/11/919922011.db2.gz USMBKDCDYDEJKK-COPLHBTASA-N 1 1 324.385 -1.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001369407444 919922307 /nfs/dbraw/zinc/92/23/07/919922307.db2.gz USMBKDCDYDEJKK-MISXGVKJSA-N 1 1 324.385 -1.056 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001369436946 919926407 /nfs/dbraw/zinc/92/64/07/919926407.db2.gz FFJJIUWWYYQUBP-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001369434449 919926494 /nfs/dbraw/zinc/92/64/94/919926494.db2.gz PPFZKAZUZGTLEF-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001369434449 919926506 /nfs/dbraw/zinc/92/65/06/919926506.db2.gz PPFZKAZUZGTLEF-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cn1cccn1 ZINC001369444752 919927445 /nfs/dbraw/zinc/92/74/45/919927445.db2.gz OHJBBOPIDGRIQG-JTQLQIEISA-N 1 1 308.346 -1.984 20 0 DAADMO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001369449231 919928643 /nfs/dbraw/zinc/92/86/43/919928643.db2.gz MDSGBPIFTDQPGF-JTQLQIEISA-N 1 1 320.357 -1.469 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnccn1)c1nnnn1C ZINC001369448157 919930428 /nfs/dbraw/zinc/93/04/28/919930428.db2.gz ACHPJMKAHOKLPR-UWVGGRQHSA-N 1 1 320.357 -1.216 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001369445238 919930938 /nfs/dbraw/zinc/93/09/38/919930938.db2.gz GGOJSOWNYDBXOS-SNVBAGLBSA-N 1 1 313.362 -2.403 20 0 DAADMO Cc1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)c1C ZINC001369449717 919931139 /nfs/dbraw/zinc/93/11/39/919931139.db2.gz JLMKNBOXTUKNFB-JTQLQIEISA-N 1 1 322.373 -1.227 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001369450646 919931240 /nfs/dbraw/zinc/93/12/40/919931240.db2.gz MJWZLBGENPDHLX-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001369452097 919932967 /nfs/dbraw/zinc/93/29/67/919932967.db2.gz GBNBFHMVAMGMGI-ONGXEEELSA-N 1 1 312.374 -1.048 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001369452078 919933954 /nfs/dbraw/zinc/93/39/54/919933954.db2.gz GBNBFHMVAMGMGI-GXSJLCMTSA-N 1 1 312.374 -1.048 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001369455024 919935219 /nfs/dbraw/zinc/93/52/19/919935219.db2.gz MRWBKPPLEUCTDA-JTQLQIEISA-N 1 1 311.342 -1.259 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)[nH]1 ZINC001369454053 919935253 /nfs/dbraw/zinc/93/52/53/919935253.db2.gz WCQQXWNHOLZWES-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001369459294 919936887 /nfs/dbraw/zinc/93/68/87/919936887.db2.gz IQPDTJRHIZWWQU-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)no1 ZINC001369456657 919938200 /nfs/dbraw/zinc/93/82/00/919938200.db2.gz QEBZMXVRKNKDAX-GXSJLCMTSA-N 1 1 313.358 -1.051 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nonc2C)[nH]1 ZINC001369462272 919940899 /nfs/dbraw/zinc/94/08/99/919940899.db2.gz VLDFSHXOGCWMTO-SNVBAGLBSA-N 1 1 323.357 -1.044 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369463072 919941092 /nfs/dbraw/zinc/94/10/92/919941092.db2.gz ZVROQVYBTWTFFM-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CN1CCOCC1 ZINC001369461997 919942030 /nfs/dbraw/zinc/94/20/30/919942030.db2.gz PLPDTNWJPCEDAI-LBPRGKRZSA-N 1 1 313.358 -1.689 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncc(F)c1 ZINC001369462576 919942401 /nfs/dbraw/zinc/94/24/01/919942401.db2.gz UPBVDVMGDLSBNX-NSHDSACASA-N 1 1 323.332 -1.033 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnon2)n1 ZINC001369472327 919947910 /nfs/dbraw/zinc/94/79/10/919947910.db2.gz QBHYQDHZTKYGQW-SNVBAGLBSA-N 1 1 309.330 -1.096 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CN(C)C(=O)c2nc[nH]n2)n1 ZINC001369473038 919948871 /nfs/dbraw/zinc/94/88/71/919948871.db2.gz QVBCUHXSNPBLSQ-JTQLQIEISA-N 1 1 322.373 -1.053 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)n1 ZINC001369473040 919950114 /nfs/dbraw/zinc/95/01/14/919950114.db2.gz QVBCUHXSNPBLSQ-SNVBAGLBSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnc[nH]1 ZINC001369475814 919951931 /nfs/dbraw/zinc/95/19/31/919951931.db2.gz XZTDLYPTKXPVSB-GFCCVEGCSA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnc[nH]1 ZINC001369475833 919953550 /nfs/dbraw/zinc/95/35/50/919953550.db2.gz XZTDLYPTKXPVSB-LBPRGKRZSA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001369480339 919955017 /nfs/dbraw/zinc/95/50/17/919955017.db2.gz YTZBDXBVFJSYDZ-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCCC(=O)N1 ZINC001369483097 919957379 /nfs/dbraw/zinc/95/73/79/919957379.db2.gz RAXBDWHYAPVFOB-GHMZBOCLSA-N 1 1 311.342 -1.353 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cncn1C ZINC001369485519 919958856 /nfs/dbraw/zinc/95/88/56/919958856.db2.gz HCWVNFFAAAOOQI-ZDUSSCGKSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cncn1C ZINC001369485519 919958868 /nfs/dbraw/zinc/95/88/68/919958868.db2.gz HCWVNFFAAAOOQI-ZDUSSCGKSA-N 1 1 311.386 -1.193 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001369482591 919958981 /nfs/dbraw/zinc/95/89/81/919958981.db2.gz KZFBRYDQYMVACZ-MWLCHTKSSA-N 1 1 322.373 -1.125 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001369490722 919960604 /nfs/dbraw/zinc/96/06/04/919960604.db2.gz SGNYHVMUNUNZNE-WPRPVWTQSA-N 1 1 300.359 -1.269 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1c[nH]c(=O)cn1 ZINC001369490421 919960724 /nfs/dbraw/zinc/96/07/24/919960724.db2.gz YUTJSDVVOMWTCU-VIFPVBQESA-N 1 1 308.298 -1.624 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001369490721 919961063 /nfs/dbraw/zinc/96/10/63/919961063.db2.gz SGNYHVMUNUNZNE-WCBMZHEXSA-N 1 1 300.359 -1.269 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH]cn1 ZINC001369489996 919961344 /nfs/dbraw/zinc/96/13/44/919961344.db2.gz YMRYKLODOLDLHO-WDEREUQCSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001369490719 919961448 /nfs/dbraw/zinc/96/14/48/919961448.db2.gz SGNYHVMUNUNZNE-SCZZXKLOSA-N 1 1 300.359 -1.269 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ncc[nH]1 ZINC001369486284 919962252 /nfs/dbraw/zinc/96/22/52/919962252.db2.gz SHQSRPBGFQUTCM-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)CN1CCCC1 ZINC001369489216 919962404 /nfs/dbraw/zinc/96/24/04/919962404.db2.gz YZLLSDZGIHAVCD-CYBMUJFWSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001369490703 919963258 /nfs/dbraw/zinc/96/32/58/919963258.db2.gz RYXDVGYEOLRAPO-MRVPVSSYSA-N 1 1 324.328 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001369490703 919963265 /nfs/dbraw/zinc/96/32/65/919963265.db2.gz RYXDVGYEOLRAPO-MRVPVSSYSA-N 1 1 324.328 -1.152 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493927 919964861 /nfs/dbraw/zinc/96/48/61/919964861.db2.gz KEKNEEIZSUPXKH-WDEREUQCSA-N 1 1 315.370 -1.240 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493927 919964879 /nfs/dbraw/zinc/96/48/79/919964879.db2.gz KEKNEEIZSUPXKH-WDEREUQCSA-N 1 1 315.370 -1.240 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001369499083 919965075 /nfs/dbraw/zinc/96/50/75/919965075.db2.gz WEXWXBVLDMPQIQ-JQWIXIFHSA-N 1 1 316.402 -1.602 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001369499083 919965086 /nfs/dbraw/zinc/96/50/86/919965086.db2.gz WEXWXBVLDMPQIQ-JQWIXIFHSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CC1OCCCO1 ZINC001369497499 919965487 /nfs/dbraw/zinc/96/54/87/919965487.db2.gz UPSYSDPHKZWFAD-JTQLQIEISA-N 1 1 303.359 -1.624 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC1OCCCO1 ZINC001369497499 919965498 /nfs/dbraw/zinc/96/54/98/919965498.db2.gz UPSYSDPHKZWFAD-JTQLQIEISA-N 1 1 303.359 -1.624 20 0 DAADMO Cc1nnsc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001369492171 919966034 /nfs/dbraw/zinc/96/60/34/919966034.db2.gz FETDPQTZMJHFDI-QMMMGPOBSA-N 1 1 301.372 -1.303 20 0 DAADMO Cc1nnsc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001369492171 919966049 /nfs/dbraw/zinc/96/60/49/919966049.db2.gz FETDPQTZMJHFDI-QMMMGPOBSA-N 1 1 301.372 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498422 919966160 /nfs/dbraw/zinc/96/61/60/919966160.db2.gz YEHIBVYOQJKBBU-GHMZBOCLSA-N 1 1 317.386 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498422 919966168 /nfs/dbraw/zinc/96/61/68/919966168.db2.gz YEHIBVYOQJKBBU-GHMZBOCLSA-N 1 1 317.386 -1.236 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001369493008 919966197 /nfs/dbraw/zinc/96/61/97/919966197.db2.gz GRBSQJDOHQQDOT-GHMZBOCLSA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001369497070 919966577 /nfs/dbraw/zinc/96/65/77/919966577.db2.gz OLYFXIXULIHSTC-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369499022 919966996 /nfs/dbraw/zinc/96/69/96/919966996.db2.gz QBMSWVRTEOCNOH-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001369496793 919967050 /nfs/dbraw/zinc/96/70/50/919967050.db2.gz PTOMHPOXGAFJLV-JQWIXIFHSA-N 1 1 316.402 -1.650 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1cc[nH]n1 ZINC001369499150 919968125 /nfs/dbraw/zinc/96/81/25/919968125.db2.gz QJIUOAIEKIAGBO-OLZOCXBDSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499150 919968160 /nfs/dbraw/zinc/96/81/60/919968160.db2.gz QJIUOAIEKIAGBO-OLZOCXBDSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499150 919968169 /nfs/dbraw/zinc/96/81/69/919968169.db2.gz QJIUOAIEKIAGBO-OLZOCXBDSA-N 1 1 323.397 -1.066 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1 ZINC001369491197 919968759 /nfs/dbraw/zinc/96/87/59/919968759.db2.gz RPCYSNDLEMKNEI-JTQLQIEISA-N 1 1 320.371 -1.867 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N1 ZINC001369491756 919968790 /nfs/dbraw/zinc/96/87/90/919968790.db2.gz AYZOACHZMKSNPA-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502021 919971563 /nfs/dbraw/zinc/97/15/63/919971563.db2.gz CPQAMLIYFZSQJZ-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502021 919971575 /nfs/dbraw/zinc/97/15/75/919971575.db2.gz CPQAMLIYFZSQJZ-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001369499920 919971948 /nfs/dbraw/zinc/97/19/48/919971948.db2.gz ZLKMPPLIWMCIAB-GHMZBOCLSA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001369504579 919972347 /nfs/dbraw/zinc/97/23/47/919972347.db2.gz GPIVIQPRUAFNMP-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001369504579 919972358 /nfs/dbraw/zinc/97/23/58/919972358.db2.gz GPIVIQPRUAFNMP-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCF ZINC001369500218 919972756 /nfs/dbraw/zinc/97/27/56/919972756.db2.gz FBDAUXFFUZIGRU-SNVBAGLBSA-N 1 1 320.365 -1.057 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCF ZINC001369500218 919972769 /nfs/dbraw/zinc/97/27/69/919972769.db2.gz FBDAUXFFUZIGRU-SNVBAGLBSA-N 1 1 320.365 -1.057 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001369504855 919973306 /nfs/dbraw/zinc/97/33/06/919973306.db2.gz HXEXZFGERPUBEO-SECBINFHSA-N 1 1 313.358 -1.466 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001369504855 919973314 /nfs/dbraw/zinc/97/33/14/919973314.db2.gz HXEXZFGERPUBEO-SECBINFHSA-N 1 1 313.358 -1.466 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2c(c1)nnn2C ZINC001369500290 919973880 /nfs/dbraw/zinc/97/38/80/919973880.db2.gz ARVPHNCNVVWQKH-LLVKDONJSA-N 1 1 322.369 -1.280 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCN(C)C1=O ZINC001369510456 919975787 /nfs/dbraw/zinc/97/57/87/919975787.db2.gz PZPNKHPEGFPDCR-NEPJUHHUSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001369510245 919976466 /nfs/dbraw/zinc/97/64/66/919976466.db2.gz SAUAEEYPMBTWMZ-WDEREUQCSA-N 1 1 324.385 -1.590 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001369512466 919976747 /nfs/dbraw/zinc/97/67/47/919976747.db2.gz UJLUOMIZWXIGKU-VIFPVBQESA-N 1 1 313.358 -1.764 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001369512466 919976756 /nfs/dbraw/zinc/97/67/56/919976756.db2.gz UJLUOMIZWXIGKU-VIFPVBQESA-N 1 1 313.358 -1.764 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001369508388 919977610 /nfs/dbraw/zinc/97/76/10/919977610.db2.gz YOHPDFIBHZQRTA-WDEREUQCSA-N 1 1 316.402 -1.663 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001369508388 919977625 /nfs/dbraw/zinc/97/76/25/919977625.db2.gz YOHPDFIBHZQRTA-WDEREUQCSA-N 1 1 316.402 -1.663 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001369511903 919977705 /nfs/dbraw/zinc/97/77/05/919977705.db2.gz WDEKVKDVMMVKJA-QWRGUYRKSA-N 1 1 304.391 -1.563 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001369508731 919978981 /nfs/dbraw/zinc/97/89/81/919978981.db2.gz PCUPUVVAVQMPLK-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001369508731 919978991 /nfs/dbraw/zinc/97/89/91/919978991.db2.gz PCUPUVVAVQMPLK-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001369508387 919979009 /nfs/dbraw/zinc/97/90/09/919979009.db2.gz YOHPDFIBHZQRTA-QWRGUYRKSA-N 1 1 316.402 -1.663 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001369508387 919979018 /nfs/dbraw/zinc/97/90/18/919979018.db2.gz YOHPDFIBHZQRTA-QWRGUYRKSA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCOCC1=O ZINC001369514060 919979136 /nfs/dbraw/zinc/97/91/36/919979136.db2.gz VLYNXNVEWWNUPM-NSHDSACASA-N 1 1 303.359 -2.411 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn(CCF)c1 ZINC001369516925 919981706 /nfs/dbraw/zinc/98/17/06/919981706.db2.gz ZKAILFFOGNVILI-LLVKDONJSA-N 1 1 315.349 -1.297 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn(CCF)c1 ZINC001369516925 919981720 /nfs/dbraw/zinc/98/17/20/919981720.db2.gz ZKAILFFOGNVILI-LLVKDONJSA-N 1 1 315.349 -1.297 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccc(C(N)=O)nc1 ZINC001369524772 919982642 /nfs/dbraw/zinc/98/26/42/919982642.db2.gz PQMKFNAPZUORMD-LLVKDONJSA-N 1 1 310.354 -1.463 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001369527695 919983424 /nfs/dbraw/zinc/98/34/24/919983424.db2.gz OQUMAUPAMXGOST-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001369574676 919986179 /nfs/dbraw/zinc/98/61/79/919986179.db2.gz DBHBTGLYOBRFDP-MFAVDMRSSA-N 1 1 309.374 -1.186 20 0 DAADMO CN(C(=O)CCn1ccnn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001369574751 919986378 /nfs/dbraw/zinc/98/63/78/919986378.db2.gz IJEILEGBDPOMHH-UHFFFAOYSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816880 920002028 /nfs/dbraw/zinc/00/20/28/920002028.db2.gz SJLHWNMRQSPUFF-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816880 920002044 /nfs/dbraw/zinc/00/20/44/920002044.db2.gz SJLHWNMRQSPUFF-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001369862497 920007121 /nfs/dbraw/zinc/00/71/21/920007121.db2.gz ZINDJSRWFFBUJC-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001369862497 920007134 /nfs/dbraw/zinc/00/71/34/920007134.db2.gz ZINDJSRWFFBUJC-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001369902638 920012122 /nfs/dbraw/zinc/01/21/22/920012122.db2.gz RKOAKBZYZTWHJV-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001369931043 920013633 /nfs/dbraw/zinc/01/36/33/920013633.db2.gz XYMMKYFJJHSMAQ-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001369928726 920015665 /nfs/dbraw/zinc/01/56/65/920015665.db2.gz MLZLNWYOIVBOPW-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001369928726 920015677 /nfs/dbraw/zinc/01/56/77/920015677.db2.gz MLZLNWYOIVBOPW-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976908 920021987 /nfs/dbraw/zinc/02/19/87/920021987.db2.gz MSPBODNYPZVZHG-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976908 920022001 /nfs/dbraw/zinc/02/20/01/920022001.db2.gz MSPBODNYPZVZHG-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001369979139 920023828 /nfs/dbraw/zinc/02/38/28/920023828.db2.gz TWHXQTYZYBESJN-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001369979139 920023840 /nfs/dbraw/zinc/02/38/40/920023840.db2.gz TWHXQTYZYBESJN-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1)NC(N)=O ZINC001369979914 920024378 /nfs/dbraw/zinc/02/43/78/920024378.db2.gz AWLYQAASDOWDNE-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001369994155 920027819 /nfs/dbraw/zinc/02/78/19/920027819.db2.gz GEJAYXMBGBSRIP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001369994155 920027831 /nfs/dbraw/zinc/02/78/31/920027831.db2.gz GEJAYXMBGBSRIP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001370001153 920027930 /nfs/dbraw/zinc/02/79/30/920027930.db2.gz YUSSEUILSINLBM-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009306 920031866 /nfs/dbraw/zinc/03/18/66/920031866.db2.gz LPPQWJNBYREZPG-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009306 920031880 /nfs/dbraw/zinc/03/18/80/920031880.db2.gz LPPQWJNBYREZPG-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001370067882 920036790 /nfs/dbraw/zinc/03/67/90/920036790.db2.gz VGLNUFRPEQDCOY-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001370132296 920038479 /nfs/dbraw/zinc/03/84/79/920038479.db2.gz TXESMBOMOWNKDV-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO O=C(NC[C@@H]([NH2+]CCN1CCNC1=O)C1CC1)c1cnn[nH]1 ZINC001370190105 920042009 /nfs/dbraw/zinc/04/20/09/920042009.db2.gz MRWFIDDVJCWBNO-SNVBAGLBSA-N 1 1 307.358 -1.072 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001370212062 920044041 /nfs/dbraw/zinc/04/40/41/920044041.db2.gz KQVQRWDVZWWMNW-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(NC[C@@H]([NH2+]CCN1CCNC1=O)C1CC1)c1ncn[nH]1 ZINC001370273371 920049576 /nfs/dbraw/zinc/04/95/76/920049576.db2.gz NQQDTSVRFBHIEM-SNVBAGLBSA-N 1 1 307.358 -1.072 20 0 DAADMO O=C(NC[C@@H]([NH2+]CCN1CCNC1=O)C1CC1)c1nc[nH]n1 ZINC001370273371 920049593 /nfs/dbraw/zinc/04/95/93/920049593.db2.gz NQQDTSVRFBHIEM-SNVBAGLBSA-N 1 1 307.358 -1.072 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001370395149 920056457 /nfs/dbraw/zinc/05/64/57/920056457.db2.gz PYCQHXYUGGUKCM-VIFPVBQESA-N 1 1 323.357 -1.237 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462649 920061974 /nfs/dbraw/zinc/06/19/74/920061974.db2.gz TXUGUMRRWXHWKU-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462649 920061990 /nfs/dbraw/zinc/06/19/90/920061990.db2.gz TXUGUMRRWXHWKU-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462666 920062435 /nfs/dbraw/zinc/06/24/35/920062435.db2.gz TXUGUMRRWXHWKU-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462666 920062448 /nfs/dbraw/zinc/06/24/48/920062448.db2.gz TXUGUMRRWXHWKU-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370522746 920065809 /nfs/dbraw/zinc/06/58/09/920065809.db2.gz QJDSYXULAKDPBX-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001370526234 920066882 /nfs/dbraw/zinc/06/68/82/920066882.db2.gz YQRWYBCHWRAWHE-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001370564746 920068418 /nfs/dbraw/zinc/06/84/18/920068418.db2.gz URYSVZCLQGUCFQ-MGCOHNPYSA-N 1 1 302.356 -1.039 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001370564234 920068568 /nfs/dbraw/zinc/06/85/68/920068568.db2.gz IDKSTCHQUDILLK-CIUDSAMLSA-N 1 1 310.362 -1.434 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001370594217 920073308 /nfs/dbraw/zinc/07/33/08/920073308.db2.gz RXJPKSBGPQKKKJ-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001370584840 920073358 /nfs/dbraw/zinc/07/33/58/920073358.db2.gz RERUUOZYRIFCIU-FGWVZKOKSA-N 1 1 320.415 -1.856 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001370617057 920075175 /nfs/dbraw/zinc/07/51/75/920075175.db2.gz RLQVWKQWDJJMAM-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001370631801 920076265 /nfs/dbraw/zinc/07/62/65/920076265.db2.gz APRHYCZUFNHVMR-NWDGAFQWSA-N 1 1 324.381 -1.006 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001370624314 920076735 /nfs/dbraw/zinc/07/67/35/920076735.db2.gz YOUJVJNEDORDPV-HLTSFMKQSA-N 1 1 316.387 -1.448 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001370650365 920088559 /nfs/dbraw/zinc/08/85/59/920088559.db2.gz MQVHPTISYWTNOL-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCCC(N)=O ZINC001370663148 920095698 /nfs/dbraw/zinc/09/56/98/920095698.db2.gz BPVYIQOLMGWJDZ-WDEREUQCSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001370665584 920098293 /nfs/dbraw/zinc/09/82/93/920098293.db2.gz AHWZISAHJBGQOD-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cncn1 ZINC001370669610 920101030 /nfs/dbraw/zinc/10/10/30/920101030.db2.gz PWXZVNLHAQFVLT-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001370707327 920133147 /nfs/dbraw/zinc/13/31/47/920133147.db2.gz MCZHKHQGDCITET-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2ncnn2)C1 ZINC001370705752 920133402 /nfs/dbraw/zinc/13/34/02/920133402.db2.gz IBWDRKMTOCBWGH-NXEZZACHSA-N 1 1 311.346 -2.782 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001370707330 920133532 /nfs/dbraw/zinc/13/35/32/920133532.db2.gz MCZHKHQGDCITET-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001370710324 920136137 /nfs/dbraw/zinc/13/61/37/920136137.db2.gz WQHWJHVUXWVVBX-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CS(C)(=O)=O)C1 ZINC001370710840 920136599 /nfs/dbraw/zinc/13/65/99/920136599.db2.gz YZGQLVRRMYNLGB-ZJUUUORDSA-N 1 1 321.399 -2.424 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CSC)C1 ZINC001370712837 920138660 /nfs/dbraw/zinc/13/86/60/920138660.db2.gz ADRYUOFZDOJTJD-MNOVXSKESA-N 1 1 319.427 -1.337 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CSC)C1 ZINC001370712837 920138672 /nfs/dbraw/zinc/13/86/72/920138672.db2.gz ADRYUOFZDOJTJD-MNOVXSKESA-N 1 1 319.427 -1.337 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370718337 920138936 /nfs/dbraw/zinc/13/89/36/920138936.db2.gz JHOUDRLKSBOSDK-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CSC)C1 ZINC001370712842 920139307 /nfs/dbraw/zinc/13/93/07/920139307.db2.gz ADRYUOFZDOJTJD-WDEREUQCSA-N 1 1 319.427 -1.337 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CSC)C1 ZINC001370712842 920139316 /nfs/dbraw/zinc/13/93/16/920139316.db2.gz ADRYUOFZDOJTJD-WDEREUQCSA-N 1 1 319.427 -1.337 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001370723750 920140948 /nfs/dbraw/zinc/14/09/48/920140948.db2.gz KNXVPALTSKUIGF-VHSXEESVSA-N 1 1 311.342 -1.321 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001370724912 920142599 /nfs/dbraw/zinc/14/25/99/920142599.db2.gz NAPHPUDKTUPKAH-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1nonc1C ZINC001370729025 920145373 /nfs/dbraw/zinc/14/53/73/920145373.db2.gz XIZLTZKYIZEUGY-SNVBAGLBSA-N 1 1 313.358 -1.073 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001370730142 920145440 /nfs/dbraw/zinc/14/54/40/920145440.db2.gz ZLTZJCILSZRSOG-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370732182 920148130 /nfs/dbraw/zinc/14/81/30/920148130.db2.gz LZVPAHWKJOJYMI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370732182 920148133 /nfs/dbraw/zinc/14/81/33/920148133.db2.gz LZVPAHWKJOJYMI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370732182 920148141 /nfs/dbraw/zinc/14/81/41/920148141.db2.gz LZVPAHWKJOJYMI-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001370736241 920148214 /nfs/dbraw/zinc/14/82/14/920148214.db2.gz XDOWOZBCGYJTDR-NWDGAFQWSA-N 1 1 312.374 -1.491 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001370739388 920150565 /nfs/dbraw/zinc/15/05/65/920150565.db2.gz AZYIFWBFZKQKIL-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cncn1C ZINC001370737398 920150996 /nfs/dbraw/zinc/15/09/96/920150996.db2.gz DPWZEROFICWQQI-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001370745047 920152744 /nfs/dbraw/zinc/15/27/44/920152744.db2.gz NSBRJAOSEBECRS-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001370747785 920153911 /nfs/dbraw/zinc/15/39/11/920153911.db2.gz UFIKIDYGSNHWNY-NEPJUHHUSA-N 1 1 314.386 -1.942 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001370753050 920157762 /nfs/dbraw/zinc/15/77/62/920157762.db2.gz CIBSNPOLMSXBQT-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)COCC(F)F ZINC001370751163 920157941 /nfs/dbraw/zinc/15/79/41/920157941.db2.gz AIXNTSYGZCJYMC-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001370763662 920162891 /nfs/dbraw/zinc/16/28/91/920162891.db2.gz VGTOZQYQJMJRBP-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccnnc1 ZINC001370764235 920163498 /nfs/dbraw/zinc/16/34/98/920163498.db2.gz RUHUHFMCRDMWLO-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1ccn(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001370763665 920163681 /nfs/dbraw/zinc/16/36/81/920163681.db2.gz VGTOZQYQJMJRBP-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnoc2)C1 ZINC001370766705 920164885 /nfs/dbraw/zinc/16/48/85/920164885.db2.gz AKFGBESHTOSSGZ-NEPJUHHUSA-N 1 1 310.354 -1.238 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001370773214 920168505 /nfs/dbraw/zinc/16/85/05/920168505.db2.gz RPPLBCBWLPCZPA-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001370773212 920169638 /nfs/dbraw/zinc/16/96/38/920169638.db2.gz RPPLBCBWLPCZPA-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001370777465 920171203 /nfs/dbraw/zinc/17/12/03/920171203.db2.gz AKVMBQNFNVGCEE-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cccnn1 ZINC001370774854 920171260 /nfs/dbraw/zinc/17/12/60/920171260.db2.gz JXTLTHYYOZEBNG-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001370774708 920171339 /nfs/dbraw/zinc/17/13/39/920171339.db2.gz VDWDRJZKPMAKIE-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c(=O)n1C ZINC001370779292 920171487 /nfs/dbraw/zinc/17/14/87/920171487.db2.gz GVSAUEFWUKNVHA-GFCCVEGCSA-N 1 1 311.386 -1.289 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnon2)CC[N@H+]1C ZINC001370777184 920172270 /nfs/dbraw/zinc/17/22/70/920172270.db2.gz MFWINRJOFVJKTA-OPRDCNLKSA-N 1 1 311.342 -1.383 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)CC1 ZINC001370779971 920173859 /nfs/dbraw/zinc/17/38/59/920173859.db2.gz SDDXHUFZMHNSJQ-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)CC1 ZINC001370779971 920173869 /nfs/dbraw/zinc/17/38/69/920173869.db2.gz SDDXHUFZMHNSJQ-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c1cnon1)C1CCC1 ZINC001370779474 920173916 /nfs/dbraw/zinc/17/39/16/920173916.db2.gz SGROQNTXGIAVKN-VIFPVBQESA-N 1 1 311.342 -1.239 20 0 DAADMO CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001370804859 920182996 /nfs/dbraw/zinc/18/29/96/920182996.db2.gz RJLMSWFOIPOGSV-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802761 920184032 /nfs/dbraw/zinc/18/40/32/920184032.db2.gz FGDWJSUMKYMCGR-WDEREUQCSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802761 920184042 /nfs/dbraw/zinc/18/40/42/920184042.db2.gz FGDWJSUMKYMCGR-WDEREUQCSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001370810712 920184794 /nfs/dbraw/zinc/18/47/94/920184794.db2.gz VFQOUZNIDTZODU-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001370848999 920188716 /nfs/dbraw/zinc/18/87/16/920188716.db2.gz BKQDFMRPQOVPJW-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001370848999 920188719 /nfs/dbraw/zinc/18/87/19/920188719.db2.gz BKQDFMRPQOVPJW-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CSCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370978771 920202078 /nfs/dbraw/zinc/20/20/78/920202078.db2.gz KZXWZAKFTNTIGK-MNOVXSKESA-N 1 1 319.427 -1.385 20 0 DAADMO CSCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370978771 920202097 /nfs/dbraw/zinc/20/20/97/920202097.db2.gz KZXWZAKFTNTIGK-MNOVXSKESA-N 1 1 319.427 -1.385 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370987598 920204966 /nfs/dbraw/zinc/20/49/66/920204966.db2.gz REJCFSZPMPXFJR-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnnn1C ZINC001370987536 920205481 /nfs/dbraw/zinc/20/54/81/920205481.db2.gz CXHHOAOMFOSOJX-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1([NH+](C)C)CCC1 ZINC001370993150 920208111 /nfs/dbraw/zinc/20/81/11/920208111.db2.gz BMBDDNBDKYJDTO-JTQLQIEISA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001370993150 920208125 /nfs/dbraw/zinc/20/81/25/920208125.db2.gz BMBDDNBDKYJDTO-JTQLQIEISA-N 1 1 324.385 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001370996594 920210351 /nfs/dbraw/zinc/21/03/51/920210351.db2.gz JHWFGFREXSZWRG-MOWSAHLDSA-N 1 1 311.382 -1.434 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001371027759 920220257 /nfs/dbraw/zinc/22/02/57/920220257.db2.gz ZVHJTNKGHOOISL-ODXJTPSBSA-N 1 1 313.398 -1.045 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001371021868 920220736 /nfs/dbraw/zinc/22/07/36/920220736.db2.gz XHAUVGVPHWNISX-SNVBAGLBSA-N 1 1 322.325 -1.176 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001371021860 920221954 /nfs/dbraw/zinc/22/19/54/920221954.db2.gz XHAUVGVPHWNISX-JTQLQIEISA-N 1 1 322.325 -1.176 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001371039401 920226179 /nfs/dbraw/zinc/22/61/79/920226179.db2.gz FMXLKNQEPLLCLR-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](CNC(=O)CN1CCCC1=O)[NH2+][C@H](C)c1nnnn1C ZINC001371102991 920230164 /nfs/dbraw/zinc/23/01/64/920230164.db2.gz JFQXSFNKNKDRAY-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001371203417 920236826 /nfs/dbraw/zinc/23/68/26/920236826.db2.gz ILDYQVLAWDJGJH-QMMMGPOBSA-N 1 1 310.362 -1.469 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001371173638 920238354 /nfs/dbraw/zinc/23/83/54/920238354.db2.gz SQDMYCAPVMFZQU-DTWKUNHWSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371236559 920241156 /nfs/dbraw/zinc/24/11/56/920241156.db2.gz BMBKISKZFPTVMC-NOZJJQNGSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001371305607 920242805 /nfs/dbraw/zinc/24/28/05/920242805.db2.gz QSFKPZJQLYLWBI-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cnns1 ZINC001371307731 920244527 /nfs/dbraw/zinc/24/45/27/920244527.db2.gz IMCBIQZHEIBYOY-SSDOTTSWSA-N 1 1 322.416 -1.814 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)CNC(N)=O)C3)C1 ZINC001371294578 920244684 /nfs/dbraw/zinc/24/46/84/920244684.db2.gz QQIWVIFRDGKXFY-LLVKDONJSA-N 1 1 323.397 -1.333 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nnnn1C ZINC001371338242 920248973 /nfs/dbraw/zinc/24/89/73/920248973.db2.gz ADJQMWNEPBSPMM-HRDYMLBCSA-N 1 1 311.346 -2.163 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001371468075 920262844 /nfs/dbraw/zinc/26/28/44/920262844.db2.gz GCYINVPANIFFDI-SSDOTTSWSA-N 1 1 321.341 -1.179 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001371471194 920266194 /nfs/dbraw/zinc/26/61/94/920266194.db2.gz VMKMTPSBQMFHGQ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001371475762 920266250 /nfs/dbraw/zinc/26/62/50/920266250.db2.gz UNBBLGVBOPGPFK-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001371512779 920271927 /nfs/dbraw/zinc/27/19/27/920271927.db2.gz NBVXYDVOYHOMEL-BDAKNGLRSA-N 1 1 310.362 -1.653 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001371535633 920280870 /nfs/dbraw/zinc/28/08/70/920280870.db2.gz DLFXZMXBZSMPSX-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371535633 920280885 /nfs/dbraw/zinc/28/08/85/920280885.db2.gz DLFXZMXBZSMPSX-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371535633 920280900 /nfs/dbraw/zinc/28/09/00/920280900.db2.gz DLFXZMXBZSMPSX-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC001371535628 920280975 /nfs/dbraw/zinc/28/09/75/920280975.db2.gz DFRLNSCTZXKGKK-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001371651444 920294478 /nfs/dbraw/zinc/29/44/78/920294478.db2.gz KRWYFERGPRZZBI-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001371698199 920295240 /nfs/dbraw/zinc/29/52/40/920295240.db2.gz FUJNLBZNNZARFL-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001371698200 920295614 /nfs/dbraw/zinc/29/56/14/920295614.db2.gz FUJNLBZNNZARFL-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371845101 920304657 /nfs/dbraw/zinc/30/46/57/920304657.db2.gz MMTRVEIAYNMTIC-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001371846649 920304924 /nfs/dbraw/zinc/30/49/24/920304924.db2.gz RIMPFEBKZOEBRU-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCOCC1 ZINC001371846649 920304934 /nfs/dbraw/zinc/30/49/34/920304934.db2.gz RIMPFEBKZOEBRU-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001371858824 920305466 /nfs/dbraw/zinc/30/54/66/920305466.db2.gz WTNJWTIEDGEHNZ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001371858824 920305485 /nfs/dbraw/zinc/30/54/85/920305485.db2.gz WTNJWTIEDGEHNZ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001371858824 920305498 /nfs/dbraw/zinc/30/54/98/920305498.db2.gz WTNJWTIEDGEHNZ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001371858824 920305513 /nfs/dbraw/zinc/30/55/13/920305513.db2.gz WTNJWTIEDGEHNZ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001371858824 920305533 /nfs/dbraw/zinc/30/55/33/920305533.db2.gz WTNJWTIEDGEHNZ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001371858837 920306234 /nfs/dbraw/zinc/30/62/34/920306234.db2.gz WTNJWTIEDGEHNZ-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001371858837 920306260 /nfs/dbraw/zinc/30/62/60/920306260.db2.gz WTNJWTIEDGEHNZ-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001371858837 920306272 /nfs/dbraw/zinc/30/62/72/920306272.db2.gz WTNJWTIEDGEHNZ-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001371858837 920306287 /nfs/dbraw/zinc/30/62/87/920306287.db2.gz WTNJWTIEDGEHNZ-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001371858837 920306305 /nfs/dbraw/zinc/30/63/05/920306305.db2.gz WTNJWTIEDGEHNZ-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1nnc2n1CCNC2=O ZINC001371902967 920309396 /nfs/dbraw/zinc/30/93/96/920309396.db2.gz SREMKFSJSPYKAN-VIFPVBQESA-N 1 1 307.358 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001371919600 920311177 /nfs/dbraw/zinc/31/11/77/920311177.db2.gz AENZQLFJWCLUSK-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001371919600 920311203 /nfs/dbraw/zinc/31/12/03/920311203.db2.gz AENZQLFJWCLUSK-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001371930674 920312451 /nfs/dbraw/zinc/31/24/51/920312451.db2.gz WBFHHKBDFJLQSJ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001371930674 920312469 /nfs/dbraw/zinc/31/24/69/920312469.db2.gz WBFHHKBDFJLQSJ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O)n1 ZINC001371950443 920313225 /nfs/dbraw/zinc/31/32/25/920313225.db2.gz FQPDJRYYHGDDHE-VIFPVBQESA-N 1 1 311.390 -1.000 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001371964035 920313794 /nfs/dbraw/zinc/31/37/94/920313794.db2.gz IQHCMFKVQVXCPO-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001371979657 920317389 /nfs/dbraw/zinc/31/73/89/920317389.db2.gz UZMNCXCVRYQRLS-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001371979657 920317408 /nfs/dbraw/zinc/31/74/08/920317408.db2.gz UZMNCXCVRYQRLS-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001371970389 920318049 /nfs/dbraw/zinc/31/80/49/920318049.db2.gz SDPNYPLNODLKHM-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)C1=O ZINC001371970389 920318062 /nfs/dbraw/zinc/31/80/62/920318062.db2.gz SDPNYPLNODLKHM-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001371997783 920320128 /nfs/dbraw/zinc/32/01/28/920320128.db2.gz SJGDDBRHFZRYQQ-UHFFFAOYSA-N 1 1 323.419 -2.145 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001371997783 920320139 /nfs/dbraw/zinc/32/01/39/920320139.db2.gz SJGDDBRHFZRYQQ-UHFFFAOYSA-N 1 1 323.419 -2.145 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)CC1=O ZINC001371994864 920320562 /nfs/dbraw/zinc/32/05/62/920320562.db2.gz LGGDLEZMQQGPLY-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001372002016 920322427 /nfs/dbraw/zinc/32/24/27/920322427.db2.gz YLQGWZFNSVLHIM-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001372023890 920325726 /nfs/dbraw/zinc/32/57/26/920325726.db2.gz BUPOPAYMJARSTM-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)C[C@H]2CCOC2)CC1=O ZINC001372025454 920326169 /nfs/dbraw/zinc/32/61/69/920326169.db2.gz PEDUBZDAAGLSBY-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001372027363 920326400 /nfs/dbraw/zinc/32/64/00/920326400.db2.gz HYUKVRNCDQAJES-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001372027363 920326420 /nfs/dbraw/zinc/32/64/20/920326420.db2.gz HYUKVRNCDQAJES-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001372027368 920326973 /nfs/dbraw/zinc/32/69/73/920326973.db2.gz HYUKVRNCDQAJES-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001372027368 920326988 /nfs/dbraw/zinc/32/69/88/920326988.db2.gz HYUKVRNCDQAJES-VIFPVBQESA-N 1 1 313.358 -1.712 20 0 DAADMO COCCn1nc(C(=O)NCC[N@@H+](C)C[C@H](C)O)ccc1=O ZINC001372033081 920329939 /nfs/dbraw/zinc/32/99/39/920329939.db2.gz YLEYNQOXMWONEB-NSHDSACASA-N 1 1 312.370 -1.068 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCNC1=O)[C@@H]1CCCNC1=O ZINC001372032079 920330275 /nfs/dbraw/zinc/33/02/75/920330275.db2.gz ZXZLWJBGHXIAJM-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@@H]1CCCNC1=O ZINC001372032079 920330292 /nfs/dbraw/zinc/33/02/92/920330292.db2.gz ZXZLWJBGHXIAJM-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)CCN1CCNC1=O ZINC001372058891 920332192 /nfs/dbraw/zinc/33/21/92/920332192.db2.gz LXTBZXMBNWWSTF-WDEREUQCSA-N 1 1 311.386 -1.429 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001372093217 920336800 /nfs/dbraw/zinc/33/68/00/920336800.db2.gz RDULIYHLYXABFZ-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001372093217 920336813 /nfs/dbraw/zinc/33/68/13/920336813.db2.gz RDULIYHLYXABFZ-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)n1 ZINC001372139817 920338398 /nfs/dbraw/zinc/33/83/98/920338398.db2.gz YIEDLTBQXJCTAH-SNVBAGLBSA-N 1 1 309.374 -1.212 20 0 DAADMO C[N@H+](CCNC(=O)c1n[nH]cc1F)CCNS(C)(=O)=O ZINC001372117129 920339118 /nfs/dbraw/zinc/33/91/18/920339118.db2.gz TVDDHGUHMIGJBA-UHFFFAOYSA-N 1 1 307.351 -1.240 20 0 DAADMO C[N@@H+](CCNC(=O)c1n[nH]cc1F)CCNS(C)(=O)=O ZINC001372117129 920339155 /nfs/dbraw/zinc/33/91/55/920339155.db2.gz TVDDHGUHMIGJBA-UHFFFAOYSA-N 1 1 307.351 -1.240 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001372157405 920339817 /nfs/dbraw/zinc/33/98/17/920339817.db2.gz AWBSLFRRXWBBHV-GYSYKLTISA-N 1 1 315.370 -1.070 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001372137046 920340406 /nfs/dbraw/zinc/34/04/06/920340406.db2.gz MQBQCIYGIBLDIQ-SNVBAGLBSA-N 1 1 312.370 -1.220 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001372126875 920341185 /nfs/dbraw/zinc/34/11/85/920341185.db2.gz IBFRBBVFHGDAOT-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001372126875 920341199 /nfs/dbraw/zinc/34/11/99/920341199.db2.gz IBFRBBVFHGDAOT-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)CNC(N)=O)CC2)C1 ZINC001372128272 920341381 /nfs/dbraw/zinc/34/13/81/920341381.db2.gz XHIXXKMBNQQGRZ-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)cn2n1 ZINC001372159537 920343906 /nfs/dbraw/zinc/34/39/06/920343906.db2.gz UNJFLXZRVPUREM-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)cn2n1 ZINC001372159537 920343919 /nfs/dbraw/zinc/34/39/19/920343919.db2.gz UNJFLXZRVPUREM-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001372189642 920343986 /nfs/dbraw/zinc/34/39/86/920343986.db2.gz NMSBQXWZNDNSQK-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cccn(C)c1=O ZINC001372189642 920344001 /nfs/dbraw/zinc/34/40/01/920344001.db2.gz NMSBQXWZNDNSQK-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)COCc1nncn1C ZINC001372169256 920344372 /nfs/dbraw/zinc/34/43/72/920344372.db2.gz SRZNDCSKACOFOP-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)COCc1nncn1C ZINC001372169256 920344390 /nfs/dbraw/zinc/34/43/90/920344390.db2.gz SRZNDCSKACOFOP-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372245547 920352669 /nfs/dbraw/zinc/35/26/69/920352669.db2.gz NNKPLEDAVWCWON-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001372258263 920355589 /nfs/dbraw/zinc/35/55/89/920355589.db2.gz PJDBCEFXOFADSY-NSHDSACASA-N 1 1 310.354 -1.151 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001372264526 920358224 /nfs/dbraw/zinc/35/82/24/920358224.db2.gz URKBMUHTCPYPSZ-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C1CCC1 ZINC001372271450 920359128 /nfs/dbraw/zinc/35/91/28/920359128.db2.gz SRJUYFJXKLQLRV-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372273320 920359517 /nfs/dbraw/zinc/35/95/17/920359517.db2.gz RVKGFMKEBJGTCF-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372273320 920359531 /nfs/dbraw/zinc/35/95/31/920359531.db2.gz RVKGFMKEBJGTCF-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)CN1CCOCC1=O ZINC001372355512 920364097 /nfs/dbraw/zinc/36/40/97/920364097.db2.gz DMLGQUXUOFKGAZ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)CN1CCOCC1=O ZINC001372355512 920364114 /nfs/dbraw/zinc/36/41/14/920364114.db2.gz DMLGQUXUOFKGAZ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCCNC1=O)[C@@H](C)C(=O)NC ZINC001372359756 920364362 /nfs/dbraw/zinc/36/43/62/920364362.db2.gz JFPNJSUZXZBYQC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@@H](C)C(=O)NC ZINC001372359756 920364378 /nfs/dbraw/zinc/36/43/78/920364378.db2.gz JFPNJSUZXZBYQC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001372347954 920364917 /nfs/dbraw/zinc/36/49/17/920364917.db2.gz YWXBFVLDAFAJAB-VXGBXAGGSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)N(C)C ZINC001372359677 920365685 /nfs/dbraw/zinc/36/56/85/920365685.db2.gz IRGRIIFLUVXMOF-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)N(C)C ZINC001372359677 920365699 /nfs/dbraw/zinc/36/56/99/920365699.db2.gz IRGRIIFLUVXMOF-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1ccnc1)CC(=O)NC(N)=O ZINC001372388155 920367779 /nfs/dbraw/zinc/36/77/79/920367779.db2.gz GSESLARZKUUKAI-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ccnc1)CC(=O)NC(N)=O ZINC001372388155 920367793 /nfs/dbraw/zinc/36/77/93/920367793.db2.gz GSESLARZKUUKAI-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001372365486 920367980 /nfs/dbraw/zinc/36/79/80/920367980.db2.gz SQWJTTVXPRRYGE-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001372365486 920367991 /nfs/dbraw/zinc/36/79/91/920367991.db2.gz SQWJTTVXPRRYGE-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001372365486 920368006 /nfs/dbraw/zinc/36/80/06/920368006.db2.gz SQWJTTVXPRRYGE-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)[C@H](C)C(=O)NC1CC1 ZINC001372392691 920369093 /nfs/dbraw/zinc/36/90/93/920369093.db2.gz RXMFVVTZVQGQCR-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H](C)C(=O)NC1CC1 ZINC001372392691 920369107 /nfs/dbraw/zinc/36/91/07/920369107.db2.gz RXMFVVTZVQGQCR-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1c(C)cc(C)nc1=O)CC(N)=O ZINC001372447982 920370331 /nfs/dbraw/zinc/37/03/31/920370331.db2.gz WVTDBMMPSSEWNX-UHFFFAOYSA-N 1 1 309.370 -1.216 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1c(C)cc(C)nc1=O)CC(N)=O ZINC001372447982 920370346 /nfs/dbraw/zinc/37/03/46/920370346.db2.gz WVTDBMMPSSEWNX-UHFFFAOYSA-N 1 1 309.370 -1.216 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCNC1=O ZINC001372411721 920371161 /nfs/dbraw/zinc/37/11/61/920371161.db2.gz RJNATCUAZWXUEK-OUAUKWLOSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001372415373 920371292 /nfs/dbraw/zinc/37/12/92/920371292.db2.gz SBBMOQGSVYFMDH-VXGBXAGGSA-N 1 1 321.385 -1.222 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372410815 920372511 /nfs/dbraw/zinc/37/25/11/920372511.db2.gz OYEFVMNVCBCXDN-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372410815 920372524 /nfs/dbraw/zinc/37/25/24/920372524.db2.gz OYEFVMNVCBCXDN-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCOCC1 ZINC001372469464 920374174 /nfs/dbraw/zinc/37/41/74/920374174.db2.gz PQNQADJEZJXGJH-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)N1CCOCC1 ZINC001372469464 920374188 /nfs/dbraw/zinc/37/41/88/920374188.db2.gz PQNQADJEZJXGJH-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001372514701 920379046 /nfs/dbraw/zinc/37/90/46/920379046.db2.gz XTVDCPVUGCBQEN-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001372514701 920379058 /nfs/dbraw/zinc/37/90/58/920379058.db2.gz XTVDCPVUGCBQEN-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001372515037 920381189 /nfs/dbraw/zinc/38/11/89/920381189.db2.gz SUEHJOZELTYDLR-LLVKDONJSA-N 1 1 324.385 -1.333 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001372565316 920388397 /nfs/dbraw/zinc/38/83/97/920388397.db2.gz MIDWXMABHBUNTB-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001372573052 920388584 /nfs/dbraw/zinc/38/85/84/920388584.db2.gz WFVCDAVVDCVCHA-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001372612279 920389129 /nfs/dbraw/zinc/38/91/29/920389129.db2.gz MSSXFVJEMIRLCR-BDAKNGLRSA-N 1 1 323.357 -1.550 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001372594095 920389506 /nfs/dbraw/zinc/38/95/06/920389506.db2.gz SSICDOSNFLBCCL-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001372594716 920389792 /nfs/dbraw/zinc/38/97/92/920389792.db2.gz WJBXRONHGZKTFX-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001372612100 920391068 /nfs/dbraw/zinc/39/10/68/920391068.db2.gz LTIIHHCEOVWKRC-BFVZDQMLSA-N 1 1 310.354 -1.344 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372603987 920391157 /nfs/dbraw/zinc/39/11/57/920391157.db2.gz FDYCFZRWUIICBL-GXSJLCMTSA-N 1 1 300.359 -1.364 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001372632136 920393503 /nfs/dbraw/zinc/39/35/03/920393503.db2.gz ZZPUDTGIRDWJIA-NSHDSACASA-N 1 1 319.365 -1.354 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001372635561 920393840 /nfs/dbraw/zinc/39/38/40/920393840.db2.gz DMBUNHUMQYUFGA-JTQLQIEISA-N 1 1 313.358 -2.838 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001372616184 920395052 /nfs/dbraw/zinc/39/50/52/920395052.db2.gz KLJDSNSJOPEFJL-LLVKDONJSA-N 1 1 305.400 -1.548 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001372619863 920395112 /nfs/dbraw/zinc/39/51/12/920395112.db2.gz WSAYXRAUBHVWMJ-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001372619863 920395130 /nfs/dbraw/zinc/39/51/30/920395130.db2.gz WSAYXRAUBHVWMJ-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001372635590 920395211 /nfs/dbraw/zinc/39/52/11/920395211.db2.gz DMBUNHUMQYUFGA-SNVBAGLBSA-N 1 1 313.358 -2.838 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001372661151 920396981 /nfs/dbraw/zinc/39/69/81/920396981.db2.gz FZHKAWIFBKIKAN-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001372691714 920397028 /nfs/dbraw/zinc/39/70/28/920397028.db2.gz QJWMSMFXURACKU-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001372691714 920397041 /nfs/dbraw/zinc/39/70/41/920397041.db2.gz QJWMSMFXURACKU-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001372667087 920397079 /nfs/dbraw/zinc/39/70/79/920397079.db2.gz DIBLNMUZSXNXEV-LBPRGKRZSA-N 1 1 319.427 -1.853 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001372658266 920398189 /nfs/dbraw/zinc/39/81/89/920398189.db2.gz QMRBHCVTNKTTBY-GHMZBOCLSA-N 1 1 310.354 -1.171 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001372666806 920398360 /nfs/dbraw/zinc/39/83/60/920398360.db2.gz OBALIYFAZQOGNQ-UWVGGRQHSA-N 1 1 323.357 -1.700 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)NC ZINC001372712858 920403022 /nfs/dbraw/zinc/40/30/22/920403022.db2.gz FMCIDXNODVHSIO-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCCNC1=O)CC(=O)NC ZINC001372712858 920403034 /nfs/dbraw/zinc/40/30/34/920403034.db2.gz FMCIDXNODVHSIO-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001372776950 920411100 /nfs/dbraw/zinc/41/11/00/920411100.db2.gz MVQDDHFNYBQAIM-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001372776950 920411109 /nfs/dbraw/zinc/41/11/09/920411109.db2.gz MVQDDHFNYBQAIM-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372791282 920413094 /nfs/dbraw/zinc/41/30/94/920413094.db2.gz FLLXRQGZUWWGLG-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372791282 920413101 /nfs/dbraw/zinc/41/31/01/920413101.db2.gz FLLXRQGZUWWGLG-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799749 920413375 /nfs/dbraw/zinc/41/33/75/920413375.db2.gz JADNCNQMKRJUCB-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799749 920413379 /nfs/dbraw/zinc/41/33/79/920413379.db2.gz JADNCNQMKRJUCB-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813362 920416451 /nfs/dbraw/zinc/41/64/51/920416451.db2.gz BYPQCGDIVGEILJ-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813362 920416459 /nfs/dbraw/zinc/41/64/59/920416459.db2.gz BYPQCGDIVGEILJ-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818303 920416515 /nfs/dbraw/zinc/41/65/15/920416515.db2.gz JBKJMKAYKYBKHH-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818303 920416525 /nfs/dbraw/zinc/41/65/25/920416525.db2.gz JBKJMKAYKYBKHH-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001372827450 920420189 /nfs/dbraw/zinc/42/01/89/920420189.db2.gz NVVQQQQRAPBJHS-UHFFFAOYSA-N 1 1 309.326 -1.985 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001372827450 920420201 /nfs/dbraw/zinc/42/02/01/920420201.db2.gz NVVQQQQRAPBJHS-UHFFFAOYSA-N 1 1 309.326 -1.985 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372853235 920424837 /nfs/dbraw/zinc/42/48/37/920424837.db2.gz XXVBWEBGPROAIE-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO Cn1cncc1CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372897275 920430258 /nfs/dbraw/zinc/43/02/58/920430258.db2.gz JPTHLZJPLAELAT-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cncc1CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372897275 920430271 /nfs/dbraw/zinc/43/02/71/920430271.db2.gz JPTHLZJPLAELAT-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NCC[N@@H+](CCO)C2CC2)nn1 ZINC001372901831 920431182 /nfs/dbraw/zinc/43/11/82/920431182.db2.gz LTOLBTQYCIUYBQ-UHFFFAOYSA-N 1 1 324.385 -1.447 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001372902544 920431256 /nfs/dbraw/zinc/43/12/56/920431256.db2.gz DMGNENDMJPTGKT-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001372902544 920431266 /nfs/dbraw/zinc/43/12/66/920431266.db2.gz DMGNENDMJPTGKT-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001372911937 920432975 /nfs/dbraw/zinc/43/29/75/920432975.db2.gz STVKEAHNSZWTKL-ONGXEEELSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001372911937 920432989 /nfs/dbraw/zinc/43/29/89/920432989.db2.gz STVKEAHNSZWTKL-ONGXEEELSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001372982015 920444560 /nfs/dbraw/zinc/44/45/60/920444560.db2.gz RYJRKVYXEHBSMB-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001372978832 920444684 /nfs/dbraw/zinc/44/46/84/920444684.db2.gz ZBJRYNZFFDRMCI-PSASIEDQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001372984657 920444725 /nfs/dbraw/zinc/44/47/25/920444725.db2.gz CSGVXFMALBXAQP-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001373155721 920465789 /nfs/dbraw/zinc/46/57/89/920465789.db2.gz PSNBOWCVXCPQLI-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@H](CCNC(=O)CN2CCNC(=O)C2)C1 ZINC001373208728 920465895 /nfs/dbraw/zinc/46/58/95/920465895.db2.gz MWXDKTANIGHYSP-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2cn[nH]n2)C1 ZINC001373198159 920466050 /nfs/dbraw/zinc/46/60/50/920466050.db2.gz WMBHLTVBVJPFHB-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001373198159 920466057 /nfs/dbraw/zinc/46/60/57/920466057.db2.gz WMBHLTVBVJPFHB-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001373198159 920466067 /nfs/dbraw/zinc/46/60/67/920466067.db2.gz WMBHLTVBVJPFHB-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001373255329 920469130 /nfs/dbraw/zinc/46/91/30/920469130.db2.gz VLWJKIIEEKKMJM-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001373293148 920471244 /nfs/dbraw/zinc/47/12/44/920471244.db2.gz XJWYQYCAPQXEKE-GFCCVEGCSA-N 1 1 319.427 -1.206 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373274736 920471531 /nfs/dbraw/zinc/47/15/31/920471531.db2.gz OIQKYGVLNDYFRZ-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001373270705 920471636 /nfs/dbraw/zinc/47/16/36/920471636.db2.gz CEPZOBVNWPAIKX-VIFPVBQESA-N 1 1 308.342 -1.002 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001373270704 920471719 /nfs/dbraw/zinc/47/17/19/920471719.db2.gz CEPZOBVNWPAIKX-SECBINFHSA-N 1 1 308.342 -1.002 20 0 DAADMO C[C@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001373279221 920472012 /nfs/dbraw/zinc/47/20/12/920472012.db2.gz RNELPOGDCGHJRE-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)c1=O ZINC001373292699 920473463 /nfs/dbraw/zinc/47/34/63/920473463.db2.gz WEZFHTGXQZPKSV-GFCCVEGCSA-N 1 1 311.386 -1.256 20 0 DAADMO COCCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001373271941 920473824 /nfs/dbraw/zinc/47/38/24/920473824.db2.gz JUYVAXMOFXPESN-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001373301634 920476598 /nfs/dbraw/zinc/47/65/98/920476598.db2.gz QMZKWUQHXTYTLR-NSHDSACASA-N 1 1 322.431 -1.845 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373370457 920481246 /nfs/dbraw/zinc/48/12/46/920481246.db2.gz UXGADQGTCOGPPU-MXWKQRLJSA-N 1 1 301.343 -1.317 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373389949 920485063 /nfs/dbraw/zinc/48/50/63/920485063.db2.gz VQJFAKBIONKDTA-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373389949 920485076 /nfs/dbraw/zinc/48/50/76/920485076.db2.gz VQJFAKBIONKDTA-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001373374632 920485781 /nfs/dbraw/zinc/48/57/81/920485781.db2.gz RPVVZQDWPYJOQX-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO CN(CCNC(=O)C1(NC(N)=O)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001373406569 920487288 /nfs/dbraw/zinc/48/72/88/920487288.db2.gz KWGBWJSHPGZBJE-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373422374 920492117 /nfs/dbraw/zinc/49/21/17/920492117.db2.gz GUFKOMJABLCLRQ-WCBMZHEXSA-N 1 1 313.358 -2.299 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373422374 920492131 /nfs/dbraw/zinc/49/21/31/920492131.db2.gz GUFKOMJABLCLRQ-WCBMZHEXSA-N 1 1 313.358 -2.299 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373455968 920502470 /nfs/dbraw/zinc/50/24/70/920502470.db2.gz TWNCCJUCKGNJPJ-LBPRGKRZSA-N 1 1 310.398 -1.009 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1C[NH+](CCC[C@H](C)O)C1)C(N)=O ZINC001373463302 920502716 /nfs/dbraw/zinc/50/27/16/920502716.db2.gz QDCRNSFTAWZSLL-CABZTGNLSA-N 1 1 314.386 -1.672 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001373459088 920503171 /nfs/dbraw/zinc/50/31/71/920503171.db2.gz BHWAVZPSTXPHIX-JTQLQIEISA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373465351 920505154 /nfs/dbraw/zinc/50/51/54/920505154.db2.gz WYHLAELGVCVCKU-UWVGGRQHSA-N 1 1 305.400 -1.239 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001373483167 920506929 /nfs/dbraw/zinc/50/69/29/920506929.db2.gz XGZVTPSHQNHRHT-JTQLQIEISA-N 1 1 304.416 -1.712 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C[C@H](O)COC)C2)C1 ZINC001373479944 920508953 /nfs/dbraw/zinc/50/89/53/920508953.db2.gz LPIGYBHRRMEKRU-QWHCGFSZSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C[C@H](O)COC)C2)C1 ZINC001373479944 920508965 /nfs/dbraw/zinc/50/89/65/920508965.db2.gz LPIGYBHRRMEKRU-QWHCGFSZSA-N 1 1 301.387 -1.485 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001373534510 920518540 /nfs/dbraw/zinc/51/85/40/920518540.db2.gz DNZYPEGVGFASPZ-IUCAKERBSA-N 1 1 320.415 -1.893 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373546168 920520560 /nfs/dbraw/zinc/52/05/60/920520560.db2.gz MKDHNZVIOVUPRE-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001373546176 920520875 /nfs/dbraw/zinc/52/08/75/920520875.db2.gz MKDHNZVIOVUPRE-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001373565589 920524039 /nfs/dbraw/zinc/52/40/39/920524039.db2.gz MQJUQGKDSHSQLK-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO NC(=O)NCCC(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001373552310 920525234 /nfs/dbraw/zinc/52/52/34/920525234.db2.gz OJCFERBXJRMTLN-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)COC ZINC001373579199 920526959 /nfs/dbraw/zinc/52/69/59/920526959.db2.gz JMHANGNHFQOJQU-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)COC ZINC001373579199 920526978 /nfs/dbraw/zinc/52/69/78/920526978.db2.gz JMHANGNHFQOJQU-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373582496 920528390 /nfs/dbraw/zinc/52/83/90/920528390.db2.gz TXSIJLIMCZUGPZ-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373582496 920528398 /nfs/dbraw/zinc/52/83/98/920528398.db2.gz TXSIJLIMCZUGPZ-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001373595680 920529292 /nfs/dbraw/zinc/52/92/92/920529292.db2.gz PTQPGGYCPYNJTQ-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001373595680 920529307 /nfs/dbraw/zinc/52/93/07/920529307.db2.gz PTQPGGYCPYNJTQ-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001373592976 920529807 /nfs/dbraw/zinc/52/98/07/920529807.db2.gz SBGCOPPXZGSQOJ-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001373592976 920529793 /nfs/dbraw/zinc/52/97/93/920529793.db2.gz SBGCOPPXZGSQOJ-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001373596075 920530343 /nfs/dbraw/zinc/53/03/43/920530343.db2.gz UDYNIYUECDLEGC-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001373594811 920530830 /nfs/dbraw/zinc/53/08/30/920530830.db2.gz CEYSRUHFQYSMHR-NSHDSACASA-N 1 1 300.359 -1.924 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001373594807 920530958 /nfs/dbraw/zinc/53/09/58/920530958.db2.gz CBLBBWJKKARTNN-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001373591859 920531223 /nfs/dbraw/zinc/53/12/23/920531223.db2.gz IAJCTNKLOJPGFV-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001373591859 920531236 /nfs/dbraw/zinc/53/12/36/920531236.db2.gz IAJCTNKLOJPGFV-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373592591 920531434 /nfs/dbraw/zinc/53/14/34/920531434.db2.gz UROIYXDJLCXDMO-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373592591 920531449 /nfs/dbraw/zinc/53/14/49/920531449.db2.gz UROIYXDJLCXDMO-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1(NC(N)=O)CC1 ZINC001373602206 920533497 /nfs/dbraw/zinc/53/34/97/920533497.db2.gz DISBAVVWSMDFRZ-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001373609375 920533718 /nfs/dbraw/zinc/53/37/18/920533718.db2.gz XJKDCHJCTLEMTR-ZJUUUORDSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001373609375 920533722 /nfs/dbraw/zinc/53/37/22/920533722.db2.gz XJKDCHJCTLEMTR-ZJUUUORDSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001373609371 920534091 /nfs/dbraw/zinc/53/40/91/920534091.db2.gz XJKDCHJCTLEMTR-UWVGGRQHSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001373609371 920534101 /nfs/dbraw/zinc/53/41/01/920534101.db2.gz XJKDCHJCTLEMTR-UWVGGRQHSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001373620435 920536537 /nfs/dbraw/zinc/53/65/37/920536537.db2.gz MFHBASBJQXPFPF-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001373620435 920536549 /nfs/dbraw/zinc/53/65/49/920536549.db2.gz MFHBASBJQXPFPF-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373615887 920536692 /nfs/dbraw/zinc/53/66/92/920536692.db2.gz ZNWOMDAZTXNHCA-HBNTYKKESA-N 1 1 311.386 -1.098 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373615887 920536706 /nfs/dbraw/zinc/53/67/06/920536706.db2.gz ZNWOMDAZTXNHCA-HBNTYKKESA-N 1 1 311.386 -1.098 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001373619705 920536769 /nfs/dbraw/zinc/53/67/69/920536769.db2.gz IAXPUHSIZHECAW-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001373619705 920536787 /nfs/dbraw/zinc/53/67/87/920536787.db2.gz IAXPUHSIZHECAW-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001373624292 920538282 /nfs/dbraw/zinc/53/82/82/920538282.db2.gz BADCFPABXOVAEY-WCBMZHEXSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001373624292 920538292 /nfs/dbraw/zinc/53/82/92/920538292.db2.gz BADCFPABXOVAEY-WCBMZHEXSA-N 1 1 308.342 -1.274 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001373614178 920538553 /nfs/dbraw/zinc/53/85/53/920538553.db2.gz KMYZLFWEXGXNKG-VIFPVBQESA-N 1 1 323.353 -1.574 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001373614178 920538570 /nfs/dbraw/zinc/53/85/70/920538570.db2.gz KMYZLFWEXGXNKG-VIFPVBQESA-N 1 1 323.353 -1.574 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001373614680 920538666 /nfs/dbraw/zinc/53/86/66/920538666.db2.gz SLHUHCLTNFFUPO-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001373635864 920540085 /nfs/dbraw/zinc/54/00/85/920540085.db2.gz WNXZQUHJPPPGKY-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373644602 920540413 /nfs/dbraw/zinc/54/04/13/920540413.db2.gz PVAGXBKZJFUVRT-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373644602 920540427 /nfs/dbraw/zinc/54/04/27/920540427.db2.gz PVAGXBKZJFUVRT-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001373634060 920541168 /nfs/dbraw/zinc/54/11/68/920541168.db2.gz CAGXTTFJDWALDR-NXEZZACHSA-N 1 1 308.404 -1.734 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001373628024 920542277 /nfs/dbraw/zinc/54/22/77/920542277.db2.gz NCWHZQGXLCFDDR-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001373631172 920542577 /nfs/dbraw/zinc/54/25/77/920542577.db2.gz TWFUNVVNXQJYGQ-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001373635861 920542908 /nfs/dbraw/zinc/54/29/08/920542908.db2.gz WNXZQUHJPPPGKY-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001373645198 920544079 /nfs/dbraw/zinc/54/40/79/920544079.db2.gz FFTGTLBSGMYMAN-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001373647357 920545341 /nfs/dbraw/zinc/54/53/41/920545341.db2.gz WZLZXMPLRXAQLK-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001373655161 920546194 /nfs/dbraw/zinc/54/61/94/920546194.db2.gz IIMAFZOUQGPCMW-DGCLKSJQSA-N 1 1 311.386 -1.055 20 0 DAADMO CN(C(=O)CC(C)(C)O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373664521 920546919 /nfs/dbraw/zinc/54/69/19/920546919.db2.gz JAYXWBXMMOPYQI-SECBINFHSA-N 1 1 300.359 -1.125 20 0 DAADMO CN(C(=O)CC(C)(C)O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373664521 920546928 /nfs/dbraw/zinc/54/69/28/920546928.db2.gz JAYXWBXMMOPYQI-SECBINFHSA-N 1 1 300.359 -1.125 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001373685564 920547618 /nfs/dbraw/zinc/54/76/18/920547618.db2.gz VZLASPPYBBWKFT-GHMZBOCLSA-N 1 1 305.400 -1.237 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373660696 920548003 /nfs/dbraw/zinc/54/80/03/920548003.db2.gz ANAUFQRKBMFAHV-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373660696 920548017 /nfs/dbraw/zinc/54/80/17/920548017.db2.gz ANAUFQRKBMFAHV-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373673312 920548212 /nfs/dbraw/zinc/54/82/12/920548212.db2.gz PHBDWKYJOATEJU-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373660695 920548494 /nfs/dbraw/zinc/54/84/94/920548494.db2.gz ANAUFQRKBMFAHV-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373660695 920548501 /nfs/dbraw/zinc/54/85/01/920548501.db2.gz ANAUFQRKBMFAHV-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001373685565 920549180 /nfs/dbraw/zinc/54/91/80/920549180.db2.gz VZLASPPYBBWKFT-WDEREUQCSA-N 1 1 305.400 -1.237 20 0 DAADMO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001373667612 920549207 /nfs/dbraw/zinc/54/92/07/920549207.db2.gz SSFBBUYZAYBTEB-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1nnc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001373667612 920549218 /nfs/dbraw/zinc/54/92/18/920549218.db2.gz SSFBBUYZAYBTEB-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001373672520 920549830 /nfs/dbraw/zinc/54/98/30/920549830.db2.gz KUWMJWKWTSIGKI-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373701466 920551113 /nfs/dbraw/zinc/55/11/13/920551113.db2.gz FMBFIFKPQHJWAY-SRVKXCTJSA-N 1 1 316.402 -1.027 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001373710499 920551233 /nfs/dbraw/zinc/55/12/33/920551233.db2.gz MXDPNOWTBCXZJS-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CCNC(N)=O)C1 ZINC001373696446 920552099 /nfs/dbraw/zinc/55/20/99/920552099.db2.gz JFUCAPZLVIYKTD-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001373707969 920552764 /nfs/dbraw/zinc/55/27/64/920552764.db2.gz KUXBBBLWUKOECN-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373691177 920553214 /nfs/dbraw/zinc/55/32/14/920553214.db2.gz ZLBCPJHVTILWFP-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373691177 920553232 /nfs/dbraw/zinc/55/32/32/920553232.db2.gz ZLBCPJHVTILWFP-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CC[C@@H](CNC(=O)c1nccnc1N)[NH2+]Cc1nnnn1C ZINC001373737202 920555870 /nfs/dbraw/zinc/55/58/70/920555870.db2.gz IVPYZDFXCXABAS-QMMMGPOBSA-N 1 1 305.346 -1.120 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001373757629 920557762 /nfs/dbraw/zinc/55/77/62/920557762.db2.gz CAHDJHMSQXOHTJ-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001373770554 920563288 /nfs/dbraw/zinc/56/32/88/920563288.db2.gz YCGAPLYGRAZSTJ-VIFPVBQESA-N 1 1 318.403 -1.206 20 0 DAADMO CC[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001373807587 920564267 /nfs/dbraw/zinc/56/42/67/920564267.db2.gz KWWCPNRWWLLCNW-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO CC[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCOCC1 ZINC001373807587 920564279 /nfs/dbraw/zinc/56/42/79/920564279.db2.gz KWWCPNRWWLLCNW-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001373961832 920573103 /nfs/dbraw/zinc/57/31/03/920573103.db2.gz SKICUOXLCHPPIP-NXEZZACHSA-N 1 1 324.389 -1.262 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001374011396 920577993 /nfs/dbraw/zinc/57/79/93/920577993.db2.gz GDEDVLZUEOQNAY-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001374087658 920579231 /nfs/dbraw/zinc/57/92/31/920579231.db2.gz SFFLAMQHZXLBEY-SNVBAGLBSA-N 1 1 310.358 -1.381 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)N1CCOCC1 ZINC001374087658 920579248 /nfs/dbraw/zinc/57/92/48/920579248.db2.gz SFFLAMQHZXLBEY-SNVBAGLBSA-N 1 1 310.358 -1.381 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1nnn(C)n1 ZINC001374116530 920582354 /nfs/dbraw/zinc/58/23/54/920582354.db2.gz VZUZUCRKKFODGR-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001374123536 920586181 /nfs/dbraw/zinc/58/61/81/920586181.db2.gz YOIAGOZEAUFVQJ-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)n1 ZINC001374142984 920588862 /nfs/dbraw/zinc/58/88/62/920588862.db2.gz JDRRBRLWFBMZMB-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001374142984 920588878 /nfs/dbraw/zinc/58/88/78/920588878.db2.gz JDRRBRLWFBMZMB-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001374170893 920590427 /nfs/dbraw/zinc/59/04/27/920590427.db2.gz BTAWBCBPRYJZLU-ZJUUUORDSA-N 1 1 321.385 -1.150 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001374137169 920590725 /nfs/dbraw/zinc/59/07/25/920590725.db2.gz VIVPHJZBTOGXCP-QWRGUYRKSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001374137169 920590734 /nfs/dbraw/zinc/59/07/34/920590734.db2.gz VIVPHJZBTOGXCP-QWRGUYRKSA-N 1 1 300.359 -1.797 20 0 DAADMO O=C(Cn1cnnn1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001374222786 920591390 /nfs/dbraw/zinc/59/13/90/920591390.db2.gz KPCKJEGKSNTAPF-NSHDSACASA-N 1 1 317.357 -1.404 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001374205098 920593673 /nfs/dbraw/zinc/59/36/73/920593673.db2.gz VSFWKXBFTRRSEJ-RKDXNWHRSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCOCC1=O ZINC001374233513 920596723 /nfs/dbraw/zinc/59/67/23/920596723.db2.gz NFCIFXXDOBBGBS-JTQLQIEISA-N 1 1 311.342 -1.135 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001374226476 920596840 /nfs/dbraw/zinc/59/68/40/920596840.db2.gz FIYRIISVDMOYNU-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001374469740 920604636 /nfs/dbraw/zinc/60/46/36/920604636.db2.gz JEMPKEHQFCBFNL-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001374469740 920604648 /nfs/dbraw/zinc/60/46/48/920604648.db2.gz JEMPKEHQFCBFNL-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001374471404 920604946 /nfs/dbraw/zinc/60/49/46/920604946.db2.gz QYVQWXIABTZMPU-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001374471404 920604956 /nfs/dbraw/zinc/60/49/56/920604956.db2.gz QYVQWXIABTZMPU-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374462657 920605058 /nfs/dbraw/zinc/60/50/58/920605058.db2.gz MAWRMZYFPSIJDW-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001374462657 920605072 /nfs/dbraw/zinc/60/50/72/920605072.db2.gz MAWRMZYFPSIJDW-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nnnn1C ZINC001374429137 920605116 /nfs/dbraw/zinc/60/51/16/920605116.db2.gz HXSHQUCJQFUUSP-UWVGGRQHSA-N 1 1 311.390 -1.048 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)Cn1ncnn1 ZINC001374493333 920608048 /nfs/dbraw/zinc/60/80/48/920608048.db2.gz WUEBKUPGIKJWHA-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)Cn1ncnn1 ZINC001374493333 920608057 /nfs/dbraw/zinc/60/80/57/920608057.db2.gz WUEBKUPGIKJWHA-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)Cn1ncnn1 ZINC001374491930 920608210 /nfs/dbraw/zinc/60/82/10/920608210.db2.gz OVPFSRRAIFCLJV-NSHDSACASA-N 1 1 319.373 -1.158 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374487345 920608741 /nfs/dbraw/zinc/60/87/41/920608741.db2.gz PIHGWIVAYKQIAJ-NXEZZACHSA-N 1 1 300.359 -1.038 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001374487345 920608750 /nfs/dbraw/zinc/60/87/50/920608750.db2.gz PIHGWIVAYKQIAJ-NXEZZACHSA-N 1 1 300.359 -1.038 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001374486756 920608799 /nfs/dbraw/zinc/60/87/99/920608799.db2.gz LRSFUJJFMYHJLM-NXEZZACHSA-N 1 1 302.375 -1.023 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001374486756 920608805 /nfs/dbraw/zinc/60/88/05/920608805.db2.gz LRSFUJJFMYHJLM-NXEZZACHSA-N 1 1 302.375 -1.023 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001374503585 920609092 /nfs/dbraw/zinc/60/90/92/920609092.db2.gz UCNZKUIRODVRTM-UHFFFAOYSA-N 1 1 314.390 -1.669 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001374514101 920611321 /nfs/dbraw/zinc/61/13/21/920611321.db2.gz ZIHSHOGRLIFISB-UHFFFAOYSA-N 1 1 304.376 -1.642 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001374514101 920611328 /nfs/dbraw/zinc/61/13/28/920611328.db2.gz ZIHSHOGRLIFISB-UHFFFAOYSA-N 1 1 304.376 -1.642 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001374543991 920613300 /nfs/dbraw/zinc/61/33/00/920613300.db2.gz CQYVPKGFCVLMEX-UHFFFAOYSA-N 1 1 309.374 -1.156 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(CC(N)=O)nn1 ZINC001374556567 920615006 /nfs/dbraw/zinc/61/50/06/920615006.db2.gz FALUBMIZQPAREF-JTQLQIEISA-N 1 1 323.357 -2.344 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(CC(N)=O)nn1 ZINC001374556567 920615014 /nfs/dbraw/zinc/61/50/14/920615014.db2.gz FALUBMIZQPAREF-JTQLQIEISA-N 1 1 323.357 -2.344 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001374546359 920615130 /nfs/dbraw/zinc/61/51/30/920615130.db2.gz JCVFRPQIATYZPI-NSHDSACASA-N 1 1 311.390 -1.070 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001374546359 920615137 /nfs/dbraw/zinc/61/51/37/920615137.db2.gz JCVFRPQIATYZPI-NSHDSACASA-N 1 1 311.390 -1.070 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001374565779 920615570 /nfs/dbraw/zinc/61/55/70/920615570.db2.gz NWOFEJMQFUSLPY-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374556237 920615705 /nfs/dbraw/zinc/61/57/05/920615705.db2.gz REYBGYSJPOPWGV-QWRGUYRKSA-N 1 1 313.402 -1.088 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn(C)c(=O)n1C ZINC001374558100 920616776 /nfs/dbraw/zinc/61/67/76/920616776.db2.gz TWGGLYDFHXOQQR-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn(C)c(=O)n1C ZINC001374558100 920616791 /nfs/dbraw/zinc/61/67/91/920616791.db2.gz TWGGLYDFHXOQQR-NSHDSACASA-N 1 1 323.397 -1.042 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnccn1)c1nnnn1C ZINC001374577374 920618780 /nfs/dbraw/zinc/61/87/80/920618780.db2.gz NJTRLRVPXWAHRB-DTWKUNHWSA-N 1 1 306.330 -1.558 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cccn2)nn1 ZINC001374579635 920622668 /nfs/dbraw/zinc/62/26/68/920622668.db2.gz HUVLSIYYRBSHNB-GFCCVEGCSA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001374588298 920624824 /nfs/dbraw/zinc/62/48/24/920624824.db2.gz DVEFTQRVRVZFEY-RKDXNWHRSA-N 1 1 313.383 -1.308 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n(C)n1 ZINC001374586548 920624907 /nfs/dbraw/zinc/62/49/07/920624907.db2.gz ZDJFGRWBINEEJL-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2csnn2)C1 ZINC001374587454 920625135 /nfs/dbraw/zinc/62/51/35/920625135.db2.gz LTKPITLSUFZHMF-WDEREUQCSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2csnn2)C1 ZINC001374587454 920625143 /nfs/dbraw/zinc/62/51/43/920625143.db2.gz LTKPITLSUFZHMF-WDEREUQCSA-N 1 1 315.399 -1.565 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cccn1 ZINC001374588477 920626283 /nfs/dbraw/zinc/62/62/83/920626283.db2.gz SSYXLGTXCNXZKB-PWSUYJOCSA-N 1 1 307.358 -1.161 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001374590277 920627127 /nfs/dbraw/zinc/62/71/27/920627127.db2.gz KONOAPOWPJNCQR-NXEZZACHSA-N 1 1 324.385 -1.227 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccnn1C)c1nncn1C ZINC001374590079 920628804 /nfs/dbraw/zinc/62/88/04/920628804.db2.gz KJTNPLAYDZXRKE-UWVGGRQHSA-N 1 1 307.358 -1.010 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001374591279 920629020 /nfs/dbraw/zinc/62/90/20/920629020.db2.gz PVKNRGCBWNJXKR-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1)n1cncn1 ZINC001374593400 920630606 /nfs/dbraw/zinc/63/06/06/920630606.db2.gz HAFWCFGRCMVCNG-WDEREUQCSA-N 1 1 305.342 -1.104 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001374591774 920631015 /nfs/dbraw/zinc/63/10/15/920631015.db2.gz SOFAAIZDLHGBTP-WDEREUQCSA-N 1 1 310.358 -1.857 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374599559 920634962 /nfs/dbraw/zinc/63/49/62/920634962.db2.gz JRTJRISQLZYHPY-UWVGGRQHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)nc1 ZINC001374598812 920635100 /nfs/dbraw/zinc/63/51/00/920635100.db2.gz ANEUHMLCPFGDKA-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cnn1 ZINC001374596674 920635126 /nfs/dbraw/zinc/63/51/26/920635126.db2.gz AESNYVSNBQNZSO-GFCCVEGCSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)cn1 ZINC001374596834 920635154 /nfs/dbraw/zinc/63/51/54/920635154.db2.gz SLHKYEIKPNOOBL-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374597215 920635463 /nfs/dbraw/zinc/63/54/63/920635463.db2.gz FADFKOGUWGVQQE-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374599152 920635483 /nfs/dbraw/zinc/63/54/83/920635483.db2.gz HCMWBVZWSRFJPY-LLVKDONJSA-N 1 1 324.385 -1.120 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001374595771 920636477 /nfs/dbraw/zinc/63/64/77/920636477.db2.gz XLCXOJNZNPNLHQ-UWVGGRQHSA-N 1 1 311.342 -1.529 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ncnn1)c1ncccn1 ZINC001374602945 920637835 /nfs/dbraw/zinc/63/78/35/920637835.db2.gz HBHPRJAOHQYKCG-NXEZZACHSA-N 1 1 306.330 -1.709 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cn(C)nn2)CC[N@H+]1C ZINC001374604203 920638595 /nfs/dbraw/zinc/63/85/95/920638595.db2.gz KAPUOQNJPOCSAR-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001374605443 920641420 /nfs/dbraw/zinc/64/14/20/920641420.db2.gz YBMBFWZPXXBWIZ-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001374604517 920642189 /nfs/dbraw/zinc/64/21/89/920642189.db2.gz RZVIKLMEQMMGAQ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001374614893 920646652 /nfs/dbraw/zinc/64/66/52/920646652.db2.gz HBNBUOFMGNVJMH-LLVKDONJSA-N 1 1 321.341 -1.326 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001374613786 920647169 /nfs/dbraw/zinc/64/71/69/920647169.db2.gz FDYBYAMQLVVEEP-VXGBXAGGSA-N 1 1 321.381 -1.040 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001374613565 920648965 /nfs/dbraw/zinc/64/89/65/920648965.db2.gz VAKQAJDRHAEZEN-CMPLNLGQSA-N 1 1 324.385 -1.657 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001374616907 920651309 /nfs/dbraw/zinc/65/13/09/920651309.db2.gz IXHNCAKPMARTEK-DTWKUNHWSA-N 1 1 319.387 -2.185 20 0 DAADMO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CCNC(=O)C1 ZINC001374617470 920651905 /nfs/dbraw/zinc/65/19/05/920651905.db2.gz WJOHMQDNGADKHC-ABAIWWIYSA-N 1 1 321.381 -1.040 20 0 DAADMO Cc1cc(OCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001374616560 920652095 /nfs/dbraw/zinc/65/20/95/920652095.db2.gz QYUVMCUCTRAWSK-LLVKDONJSA-N 1 1 324.341 -1.243 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)co1 ZINC001374621172 920655053 /nfs/dbraw/zinc/65/50/53/920655053.db2.gz WSKWGUKQVBGJJE-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001374619030 920655099 /nfs/dbraw/zinc/65/50/99/920655099.db2.gz PWGMJRIDAARBAY-MRVPVSSYSA-N 1 1 322.412 -1.461 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)n1 ZINC001374623245 920655274 /nfs/dbraw/zinc/65/52/74/920655274.db2.gz CGBRSBAHAGNRIR-PWSUYJOCSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)n1 ZINC001374623242 920655385 /nfs/dbraw/zinc/65/53/85/920655385.db2.gz CGBRSBAHAGNRIR-JQWIXIFHSA-N 1 1 324.385 -1.559 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001374623660 920656675 /nfs/dbraw/zinc/65/66/75/920656675.db2.gz XZERBLKQYBAIGM-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001374623660 920656686 /nfs/dbraw/zinc/65/66/86/920656686.db2.gz XZERBLKQYBAIGM-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)ccc2=O)n1 ZINC001374627738 920659185 /nfs/dbraw/zinc/65/91/85/920659185.db2.gz UAMXVWKDFGZHDV-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nnn(C)n1)c1ncccn1 ZINC001374633348 920661760 /nfs/dbraw/zinc/66/17/60/920661760.db2.gz NMXSGGFLTGABFY-DTWKUNHWSA-N 1 1 306.330 -1.558 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374633602 920662539 /nfs/dbraw/zinc/66/25/39/920662539.db2.gz PMNQWBMCFNSPAT-JTQLQIEISA-N 1 1 323.357 -1.562 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)nc1 ZINC001374641299 920668427 /nfs/dbraw/zinc/66/84/27/920668427.db2.gz ZNHJNKMBCGXLDI-SNVBAGLBSA-N 1 1 318.337 -1.251 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001374642778 920668654 /nfs/dbraw/zinc/66/86/54/920668654.db2.gz CGDKCKQAVBOORC-SECBINFHSA-N 1 1 322.369 -1.035 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@H]1CNC(=O)N1 ZINC001374644372 920669692 /nfs/dbraw/zinc/66/96/92/920669692.db2.gz WPQMARXYNMTDNG-NKWVEPMBSA-N 1 1 300.344 -2.214 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001374642779 920669805 /nfs/dbraw/zinc/66/98/05/920669805.db2.gz CGDKCKQAVBOORC-VIFPVBQESA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1)c1nnnn1C ZINC001374653071 920672442 /nfs/dbraw/zinc/67/24/42/920672442.db2.gz PGRPWQSUQVSFKT-SCZZXKLOSA-N 1 1 308.346 -1.696 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001374650559 920672740 /nfs/dbraw/zinc/67/27/40/920672740.db2.gz KIJZBYFASBDUQY-MWLCHTKSSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cnn[nH]1)C(=O)N(C)C ZINC001374650559 920672748 /nfs/dbraw/zinc/67/27/48/920672748.db2.gz KIJZBYFASBDUQY-MWLCHTKSSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1)C(=O)N(C)C ZINC001374646651 920673068 /nfs/dbraw/zinc/67/30/68/920673068.db2.gz QYJFKMIBORDECI-RKDXNWHRSA-N 1 1 313.358 -1.717 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001374655333 920674041 /nfs/dbraw/zinc/67/40/41/920674041.db2.gz BWFBSPWSHOVJSD-NSHDSACASA-N 1 1 322.373 -1.303 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001374653347 920675245 /nfs/dbraw/zinc/67/52/45/920675245.db2.gz PXKQBYRYFDBWOV-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001374655329 920675673 /nfs/dbraw/zinc/67/56/73/920675673.db2.gz BWFBSPWSHOVJSD-LLVKDONJSA-N 1 1 322.373 -1.303 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)NCC(F)(F)F ZINC001374659441 920677080 /nfs/dbraw/zinc/67/70/80/920677080.db2.gz PAGHJKWFCJCKOM-ZCFIWIBFSA-N 1 1 324.263 -1.837 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)NCC(F)(F)F ZINC001374659441 920677091 /nfs/dbraw/zinc/67/70/91/920677091.db2.gz PAGHJKWFCJCKOM-ZCFIWIBFSA-N 1 1 324.263 -1.837 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374660262 920678035 /nfs/dbraw/zinc/67/80/35/920678035.db2.gz ZURAPHQGGLNAQL-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374660262 920678045 /nfs/dbraw/zinc/67/80/45/920678045.db2.gz ZURAPHQGGLNAQL-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001374658634 920679018 /nfs/dbraw/zinc/67/90/18/920679018.db2.gz CNSAQZJKFFSGTC-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1cnoc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374659627 920679297 /nfs/dbraw/zinc/67/92/97/920679297.db2.gz FVKUYIBWDNSYJC-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001374663598 920680643 /nfs/dbraw/zinc/68/06/43/920680643.db2.gz UBMVWMQYFBVMGO-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ncccc1F ZINC001374662734 920681203 /nfs/dbraw/zinc/68/12/03/920681203.db2.gz VZGDKKCVZCMIHC-QMMMGPOBSA-N 1 1 309.305 -1.375 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1)c1ncccn1 ZINC001374666904 920681276 /nfs/dbraw/zinc/68/12/76/920681276.db2.gz QAXLGKFLYSSEHX-VHSXEESVSA-N 1 1 305.342 -1.035 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001374670221 920683955 /nfs/dbraw/zinc/68/39/55/920683955.db2.gz LJPMXNQAEOPUJG-MNOVXSKESA-N 1 1 307.354 -1.370 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374671927 920685017 /nfs/dbraw/zinc/68/50/17/920685017.db2.gz RBNCKQDWLTUTMS-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO CCS(=O)(=O)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374670543 920685828 /nfs/dbraw/zinc/68/58/28/920685828.db2.gz GUVSCKATSFHZRD-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)n(C)c1=O ZINC001374678262 920687981 /nfs/dbraw/zinc/68/79/81/920687981.db2.gz TUARGMAHUAIVNF-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001374681434 920691016 /nfs/dbraw/zinc/69/10/16/920691016.db2.gz DROSEFZNBCTOTP-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001374681749 920691495 /nfs/dbraw/zinc/69/14/95/920691495.db2.gz QHJABULOZKWXQT-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001374686986 920692702 /nfs/dbraw/zinc/69/27/02/920692702.db2.gz XMXWJIPJXZMPST-NSHDSACASA-N 1 1 318.399 -1.579 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001374686086 920693663 /nfs/dbraw/zinc/69/36/63/920693663.db2.gz SAVFQVDPYNYTNP-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO CCN1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001374686093 920693841 /nfs/dbraw/zinc/69/38/41/920693841.db2.gz SBPUFPRMWTWNLB-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001374686087 920694840 /nfs/dbraw/zinc/69/48/40/920694840.db2.gz SAVFQVDPYNYTNP-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001374708776 920696433 /nfs/dbraw/zinc/69/64/33/920696433.db2.gz KJHRENWXYQQJOX-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001374727659 920698546 /nfs/dbraw/zinc/69/85/46/920698546.db2.gz HERHJDLBLWWGSF-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001374727662 920699060 /nfs/dbraw/zinc/69/90/60/920699060.db2.gz HERHJDLBLWWGSF-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001374713451 920699096 /nfs/dbraw/zinc/69/90/96/920699096.db2.gz SKGQQRGWLNWMCU-RKDXNWHRSA-N 1 1 311.346 -1.182 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001374713446 920700086 /nfs/dbraw/zinc/70/00/86/920700086.db2.gz SKGQQRGWLNWMCU-DTWKUNHWSA-N 1 1 311.346 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)Cn2ncnn2)C1)CC(C)(C)C ZINC001374769891 920707174 /nfs/dbraw/zinc/70/71/74/920707174.db2.gz NDUYQRAPEBKJOH-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001374774416 920707695 /nfs/dbraw/zinc/70/76/95/920707695.db2.gz HUQHGXGVJUJIFJ-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001374788523 920709381 /nfs/dbraw/zinc/70/93/81/920709381.db2.gz LPTJMNBUICIGOO-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C[NH2+]Cc1nc(C2CC2)nn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001374809753 920715148 /nfs/dbraw/zinc/71/51/48/920715148.db2.gz ZEOCBSBHUSJPPC-PSASIEDQSA-N 1 1 321.385 -1.032 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC001374847851 920721316 /nfs/dbraw/zinc/72/13/16/920721316.db2.gz SNWVCBBNHFRUNE-BDAKNGLRSA-N 1 1 318.403 -1.480 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001374903866 920725334 /nfs/dbraw/zinc/72/53/34/920725334.db2.gz NOUMVTMAGVUMLP-JTQLQIEISA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001374907060 920726047 /nfs/dbraw/zinc/72/60/47/920726047.db2.gz DLKGYVBIMAXUFH-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001374892225 920727431 /nfs/dbraw/zinc/72/74/31/920727431.db2.gz JJRJBEHBAVNKHU-QMMMGPOBSA-N 1 1 318.403 -1.401 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnn[nH]1 ZINC001374906825 920727569 /nfs/dbraw/zinc/72/75/69/920727569.db2.gz VHJHICZXADYYEF-QMMMGPOBSA-N 1 1 309.330 -2.529 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001374920214 920730433 /nfs/dbraw/zinc/73/04/33/920730433.db2.gz MBIUYJGLBMVECZ-ZETCQYMHSA-N 1 1 306.348 -2.282 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001374935800 920732159 /nfs/dbraw/zinc/73/21/59/920732159.db2.gz MFFFIPNYRQRAAP-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374932737 920732475 /nfs/dbraw/zinc/73/24/75/920732475.db2.gz ANAZBJBJOYRAEP-AEJSXWLSSA-N 1 1 309.374 -1.201 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1ncn[nH]1 ZINC001374946121 920733521 /nfs/dbraw/zinc/73/35/21/920733521.db2.gz ZSSMBFPBTGZTFH-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)c1nc[nH]n1 ZINC001374946121 920733534 /nfs/dbraw/zinc/73/35/34/920733534.db2.gz ZSSMBFPBTGZTFH-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001374984330 920734989 /nfs/dbraw/zinc/73/49/89/920734989.db2.gz XNELDYUXTFCEDY-GXSJLCMTSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001374999246 920735578 /nfs/dbraw/zinc/73/55/78/920735578.db2.gz ASBAOOXJDMCFNF-JTQLQIEISA-N 1 1 310.362 -1.865 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001375003252 920736713 /nfs/dbraw/zinc/73/67/13/920736713.db2.gz QPUMAZIQTAVTPP-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001375003252 920736727 /nfs/dbraw/zinc/73/67/27/920736727.db2.gz QPUMAZIQTAVTPP-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001374984331 920736849 /nfs/dbraw/zinc/73/68/49/920736849.db2.gz XNELDYUXTFCEDY-ONGXEEELSA-N 1 1 315.399 -1.013 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001374981396 920736958 /nfs/dbraw/zinc/73/69/58/920736958.db2.gz FOLJYWFPBMUUMM-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001375030005 920738270 /nfs/dbraw/zinc/73/82/70/920738270.db2.gz ONHFDKQWDWPPMZ-MFKMUULPSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)Cn1ncnn1 ZINC001375035933 920738464 /nfs/dbraw/zinc/73/84/64/920738464.db2.gz HKURXVIXXSBKGB-NWDGAFQWSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001375032056 920739270 /nfs/dbraw/zinc/73/92/70/920739270.db2.gz PODWQQRJWHSGDF-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001375032056 920739279 /nfs/dbraw/zinc/73/92/79/920739279.db2.gz PODWQQRJWHSGDF-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001375035166 920739743 /nfs/dbraw/zinc/73/97/43/920739743.db2.gz DZEVQIBOQVNZRM-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001375035166 920739759 /nfs/dbraw/zinc/73/97/59/920739759.db2.gz DZEVQIBOQVNZRM-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038161 920740095 /nfs/dbraw/zinc/74/00/95/920740095.db2.gz UKKNJDCLZSCICY-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038161 920740099 /nfs/dbraw/zinc/74/00/99/920740099.db2.gz UKKNJDCLZSCICY-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001375036709 920740495 /nfs/dbraw/zinc/74/04/95/920740495.db2.gz JSKJRGPPBKCMEN-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001375036709 920740509 /nfs/dbraw/zinc/74/05/09/920740509.db2.gz JSKJRGPPBKCMEN-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001375049091 920741113 /nfs/dbraw/zinc/74/11/13/920741113.db2.gz WDAXNCLCZCKXEY-NSHDSACASA-N 1 1 312.370 -1.370 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001375049090 920741939 /nfs/dbraw/zinc/74/19/39/920741939.db2.gz WDAXNCLCZCKXEY-LLVKDONJSA-N 1 1 312.370 -1.370 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375073888 920742083 /nfs/dbraw/zinc/74/20/83/920742083.db2.gz WHANZIICDVWILN-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375073888 920742095 /nfs/dbraw/zinc/74/20/95/920742095.db2.gz WHANZIICDVWILN-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375045846 920742534 /nfs/dbraw/zinc/74/25/34/920742534.db2.gz ILIWUWGSRCONID-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375045846 920742547 /nfs/dbraw/zinc/74/25/47/920742547.db2.gz ILIWUWGSRCONID-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001375058465 920743378 /nfs/dbraw/zinc/74/33/78/920743378.db2.gz VUYDWNMAVAVWTF-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001375086287 920745780 /nfs/dbraw/zinc/74/57/80/920745780.db2.gz NOQRJRPJPADBPP-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375101789 920745843 /nfs/dbraw/zinc/74/58/43/920745843.db2.gz PXQFULONANWDMA-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001375101789 920745852 /nfs/dbraw/zinc/74/58/52/920745852.db2.gz PXQFULONANWDMA-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375101798 920746465 /nfs/dbraw/zinc/74/64/65/920746465.db2.gz PXQFULONANWDMA-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375101798 920746477 /nfs/dbraw/zinc/74/64/77/920746477.db2.gz PXQFULONANWDMA-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001375091521 920747996 /nfs/dbraw/zinc/74/79/96/920747996.db2.gz XLSHOPXZWMBCQN-QWRGUYRKSA-N 1 1 309.374 -1.262 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001375157775 920748816 /nfs/dbraw/zinc/74/88/16/920748816.db2.gz IASOAOOAEGUZEG-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158439 920748987 /nfs/dbraw/zinc/74/89/87/920748987.db2.gz KOZBZZLTQVDGGG-ZJUUUORDSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158439 920748996 /nfs/dbraw/zinc/74/89/96/920748996.db2.gz KOZBZZLTQVDGGG-ZJUUUORDSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375151917 920749179 /nfs/dbraw/zinc/74/91/79/920749179.db2.gz BAVWQVZQFGXANO-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375151917 920749191 /nfs/dbraw/zinc/74/91/91/920749191.db2.gz BAVWQVZQFGXANO-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnn(C)c1 ZINC001375156774 920749638 /nfs/dbraw/zinc/74/96/38/920749638.db2.gz YSYUIGWNWOZURN-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnn(C)c1 ZINC001375156774 920749654 /nfs/dbraw/zinc/74/96/54/920749654.db2.gz YSYUIGWNWOZURN-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001375157777 920750955 /nfs/dbraw/zinc/75/09/55/920750955.db2.gz IASOAOOAEGUZEG-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147268 920751515 /nfs/dbraw/zinc/75/15/15/920751515.db2.gz CSDVNUKTAUTOFW-IUCAKERBSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147268 920751530 /nfs/dbraw/zinc/75/15/30/920751530.db2.gz CSDVNUKTAUTOFW-IUCAKERBSA-N 1 1 311.346 -1.702 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001375168790 920752285 /nfs/dbraw/zinc/75/22/85/920752285.db2.gz YEQUEVYWZFFYSV-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001375168790 920752297 /nfs/dbraw/zinc/75/22/97/920752297.db2.gz YEQUEVYWZFFYSV-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001375210964 920753760 /nfs/dbraw/zinc/75/37/60/920753760.db2.gz RAHCJLVVXWGZMC-NSHDSACASA-N 1 1 309.374 -1.327 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001375210963 920754219 /nfs/dbraw/zinc/75/42/19/920754219.db2.gz RAHCJLVVXWGZMC-LLVKDONJSA-N 1 1 309.374 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001375242389 920755722 /nfs/dbraw/zinc/75/57/22/920755722.db2.gz GKWPWYSAZQLEAZ-QWRGUYRKSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cnn(CC(=O)N[C@H](C[NH2+]Cc2cnon2)C2CC2)c1=O ZINC001375237676 920756251 /nfs/dbraw/zinc/75/62/51/920756251.db2.gz CYRZTYWULULJLW-LLVKDONJSA-N 1 1 321.341 -1.351 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 ZINC001375258928 920758741 /nfs/dbraw/zinc/75/87/41/920758741.db2.gz RPSJNSNBBRKIHP-WOPDTQHZSA-N 1 1 306.370 -1.079 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)CCNC(N)=O)C2CC2)nn1 ZINC001375264522 920759099 /nfs/dbraw/zinc/75/90/99/920759099.db2.gz LCOUBFTWLLOONV-LLVKDONJSA-N 1 1 309.374 -1.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001375267993 920760714 /nfs/dbraw/zinc/76/07/14/920760714.db2.gz CLVLGNBWKXBYJO-SNVBAGLBSA-N 1 1 317.371 -1.397 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001375314348 920767900 /nfs/dbraw/zinc/76/79/00/920767900.db2.gz MHXNIFNIPBIRBW-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001375374751 920770392 /nfs/dbraw/zinc/77/03/92/920770392.db2.gz DSHOFJZTPLODLY-WDEREUQCSA-N 1 1 305.400 -1.237 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CCCF)C(N)=O ZINC001375352390 920770690 /nfs/dbraw/zinc/77/06/90/920770690.db2.gz YYIQVTZBJLDEOT-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001375403238 920772184 /nfs/dbraw/zinc/77/21/84/920772184.db2.gz ABFHFPMUAGXIMS-NSHDSACASA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001375403238 920772196 /nfs/dbraw/zinc/77/21/96/920772196.db2.gz ABFHFPMUAGXIMS-NSHDSACASA-N 1 1 308.386 -1.116 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378484 920773112 /nfs/dbraw/zinc/77/31/12/920773112.db2.gz GJKXCYCOWWZMCA-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001375378484 920773128 /nfs/dbraw/zinc/77/31/28/920773128.db2.gz GJKXCYCOWWZMCA-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3ncccn3)CC2)nc1=O ZINC001375502194 920780858 /nfs/dbraw/zinc/78/08/58/920780858.db2.gz OCDVYMJKTQDWKB-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCF)C1 ZINC001375626880 920788449 /nfs/dbraw/zinc/78/84/49/920788449.db2.gz CGZNTDHWBIAXJV-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[C@@H]([N@@H+](CCO)CCF)C1 ZINC001375626880 920788457 /nfs/dbraw/zinc/78/84/57/920788457.db2.gz CGZNTDHWBIAXJV-GHMZBOCLSA-N 1 1 302.350 -1.077 20 0 DAADMO NC(=O)CN(CCO)[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001375624743 920788492 /nfs/dbraw/zinc/78/84/92/920788492.db2.gz FTJLHOVEGPQQCP-NSHDSACASA-N 1 1 324.385 -1.492 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375620864 920789686 /nfs/dbraw/zinc/78/96/86/920789686.db2.gz DVVKQQBWUYMWOR-GFCCVEGCSA-N 1 1 314.386 -1.765 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375620864 920789697 /nfs/dbraw/zinc/78/96/97/920789697.db2.gz DVVKQQBWUYMWOR-GFCCVEGCSA-N 1 1 314.386 -1.765 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)CC)CC[N@H+]1CCO ZINC001375601653 920790293 /nfs/dbraw/zinc/79/02/93/920790293.db2.gz BPNRYCGXYTZIBK-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC(N)=O ZINC001375613835 920790448 /nfs/dbraw/zinc/79/04/48/920790448.db2.gz VDSDWSPMKPNRQH-USZNOCQGSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375657788 920791857 /nfs/dbraw/zinc/79/18/57/920791857.db2.gz CTUUEHZTJCEBLV-PWSUYJOCSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375657788 920791866 /nfs/dbraw/zinc/79/18/66/920791866.db2.gz CTUUEHZTJCEBLV-PWSUYJOCSA-N 1 1 324.385 -1.372 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001375658954 920793142 /nfs/dbraw/zinc/79/31/42/920793142.db2.gz JZRKEXWAVIAQLV-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)[C@@H]1C ZINC001375656237 920794139 /nfs/dbraw/zinc/79/41/39/920794139.db2.gz AHVRLQBSTCYJJN-FOGDFJRCSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001375661052 920794214 /nfs/dbraw/zinc/79/42/14/920794214.db2.gz VIQGMQINOOZWHM-SMDDNHRTSA-N 1 1 323.397 -1.089 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC001375629808 920794479 /nfs/dbraw/zinc/79/44/79/920794479.db2.gz KATOCCSNIMWGOK-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnns2)C1 ZINC001375629808 920794491 /nfs/dbraw/zinc/79/44/91/920794491.db2.gz KATOCCSNIMWGOK-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001375662659 920794640 /nfs/dbraw/zinc/79/46/40/920794640.db2.gz WWYBQIWJNCPEFA-VWYCJHECSA-N 1 1 311.386 -1.229 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001375662659 920794650 /nfs/dbraw/zinc/79/46/50/920794650.db2.gz WWYBQIWJNCPEFA-VWYCJHECSA-N 1 1 311.386 -1.229 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375657780 920794699 /nfs/dbraw/zinc/79/46/99/920794699.db2.gz CTUUEHZTJCEBLV-JQWIXIFHSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375657780 920794704 /nfs/dbraw/zinc/79/47/04/920794704.db2.gz CTUUEHZTJCEBLV-JQWIXIFHSA-N 1 1 324.385 -1.372 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001375684044 920795182 /nfs/dbraw/zinc/79/51/82/920795182.db2.gz HBIVIGLFAHEUIO-UHFFFAOYSA-N 1 1 323.353 -1.434 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCNC2=O)C1 ZINC001375691001 920796127 /nfs/dbraw/zinc/79/61/27/920796127.db2.gz MZRKDZBKOQJWMO-GFCCVEGCSA-N 1 1 314.386 -1.448 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001375825816 920807303 /nfs/dbraw/zinc/80/73/03/920807303.db2.gz DGBZKRLLXUKTGI-HZMBPMFUSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001375825816 920807316 /nfs/dbraw/zinc/80/73/16/920807316.db2.gz DGBZKRLLXUKTGI-HZMBPMFUSA-N 1 1 322.369 -1.949 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001375822328 920807437 /nfs/dbraw/zinc/80/74/37/920807437.db2.gz GRJSBDMBONDWOZ-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001375843514 920807996 /nfs/dbraw/zinc/80/79/96/920807996.db2.gz BJLBEWJOZCVJAK-GXFFZTMASA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001375843519 920808162 /nfs/dbraw/zinc/80/81/62/920808162.db2.gz BJLBEWJOZCVJAK-MFKMUULPSA-N 1 1 309.374 -1.092 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001375834952 920809179 /nfs/dbraw/zinc/80/91/79/920809179.db2.gz ZIGSBFVVDATMJS-YGRLFVJLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001375834952 920809192 /nfs/dbraw/zinc/80/91/92/920809192.db2.gz ZIGSBFVVDATMJS-YGRLFVJLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001375822384 920809231 /nfs/dbraw/zinc/80/92/31/920809231.db2.gz GXXNCJISCNEGLG-LBPRGKRZSA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CCO)C1 ZINC001375828530 920809435 /nfs/dbraw/zinc/80/94/35/920809435.db2.gz JKFKWCQGGFXWDL-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001375835930 920809473 /nfs/dbraw/zinc/80/94/73/920809473.db2.gz IMMJOCSCFZSURC-FZMZJTMJSA-N 1 1 311.386 -1.067 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001375822325 920809552 /nfs/dbraw/zinc/80/95/52/920809552.db2.gz GRJSBDMBONDWOZ-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001375819625 920809613 /nfs/dbraw/zinc/80/96/13/920809613.db2.gz MLDSODGRGWUXSX-GWCFXTLKSA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@]1(NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@H+](CC(N)=O)C1 ZINC001375831813 920809676 /nfs/dbraw/zinc/80/96/76/920809676.db2.gz RWRFSIYPXVEHTE-OAHLLOKOSA-N 1 1 319.365 -1.211 20 0 DAADMO C[C@@]1(NC(=O)Cc2ccc(C(N)=O)nc2)CC[N@@H+](CC(N)=O)C1 ZINC001375831813 920809689 /nfs/dbraw/zinc/80/96/89/920809689.db2.gz RWRFSIYPXVEHTE-OAHLLOKOSA-N 1 1 319.365 -1.211 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001375835933 920810191 /nfs/dbraw/zinc/81/01/91/920810191.db2.gz IMMJOCSCFZSURC-SMDDNHRTSA-N 1 1 311.386 -1.067 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001375852964 920814217 /nfs/dbraw/zinc/81/42/17/920814217.db2.gz ZNZDHWQMTRYPQJ-CYBMUJFWSA-N 1 1 323.357 -1.686 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001375852964 920814231 /nfs/dbraw/zinc/81/42/31/920814231.db2.gz ZNZDHWQMTRYPQJ-CYBMUJFWSA-N 1 1 323.357 -1.686 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001375882012 920814309 /nfs/dbraw/zinc/81/43/09/920814309.db2.gz JOPFTYFHAWKPSL-RNCFNFMXSA-N 1 1 322.373 -1.780 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001375993802 920815604 /nfs/dbraw/zinc/81/56/04/920815604.db2.gz FIZFJHJOKMHJQP-QMTHXVAHSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001375993802 920815614 /nfs/dbraw/zinc/81/56/14/920815614.db2.gz FIZFJHJOKMHJQP-QMTHXVAHSA-N 1 1 324.385 -1.607 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375990800 920816376 /nfs/dbraw/zinc/81/63/76/920816376.db2.gz DXYOKKVBTDMIGI-GXFFZTMASA-N 1 1 300.359 -2.061 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001375993797 920816630 /nfs/dbraw/zinc/81/66/30/920816630.db2.gz FIZFJHJOKMHJQP-HZMBPMFUSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001375993797 920816645 /nfs/dbraw/zinc/81/66/45/920816645.db2.gz FIZFJHJOKMHJQP-HZMBPMFUSA-N 1 1 324.385 -1.607 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001375996308 920816847 /nfs/dbraw/zinc/81/68/47/920816847.db2.gz IGUHABJHCWMMKW-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001375996308 920816863 /nfs/dbraw/zinc/81/68/63/920816863.db2.gz IGUHABJHCWMMKW-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375991065 920816908 /nfs/dbraw/zinc/81/69/08/920816908.db2.gz GSKAEVYOTDZSIZ-AAEUAGOBSA-N 1 1 303.359 -2.317 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001376003281 920819104 /nfs/dbraw/zinc/81/91/04/920819104.db2.gz ITOYIXBKCFFSIV-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376000861 920819906 /nfs/dbraw/zinc/81/99/06/920819906.db2.gz CRFBLSGTJPZBDA-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376000861 920819912 /nfs/dbraw/zinc/81/99/12/920819912.db2.gz CRFBLSGTJPZBDA-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997068 920820253 /nfs/dbraw/zinc/82/02/53/920820253.db2.gz XSLIPUPTSBTARN-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997068 920820263 /nfs/dbraw/zinc/82/02/63/920820263.db2.gz XSLIPUPTSBTARN-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376000031 920820461 /nfs/dbraw/zinc/82/04/61/920820461.db2.gz XXWCBHRXMHAPFS-MFKMUULPSA-N 1 1 323.357 -2.543 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001376002083 920820933 /nfs/dbraw/zinc/82/09/33/920820933.db2.gz ASYZUVSQAVIKDK-GWCFXTLKSA-N 1 1 319.358 -2.097 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001376005129 920821713 /nfs/dbraw/zinc/82/17/13/920821713.db2.gz MKUZEJKXUOAAJE-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376005429 920822001 /nfs/dbraw/zinc/82/20/01/920822001.db2.gz IBMKJHGORQMCDO-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376005429 920822016 /nfs/dbraw/zinc/82/20/16/920822016.db2.gz IBMKJHGORQMCDO-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997041 920822191 /nfs/dbraw/zinc/82/21/91/920822191.db2.gz XSLIPUPTSBTARN-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997041 920822199 /nfs/dbraw/zinc/82/21/99/920822199.db2.gz XSLIPUPTSBTARN-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001375999941 920822282 /nfs/dbraw/zinc/82/22/82/920822282.db2.gz XKAODKHBYBEHHH-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001375999941 920822283 /nfs/dbraw/zinc/82/22/83/920822283.db2.gz XKAODKHBYBEHHH-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001376003615 920822395 /nfs/dbraw/zinc/82/23/95/920822395.db2.gz DHFYWEKOXOXEIH-BXKDBHETSA-N 1 1 316.383 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001376011746 920823437 /nfs/dbraw/zinc/82/34/37/920823437.db2.gz UPVDCOYZJBZYTN-CYBMUJFWSA-N 1 1 308.342 -2.029 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001376011746 920823448 /nfs/dbraw/zinc/82/34/48/920823448.db2.gz UPVDCOYZJBZYTN-CYBMUJFWSA-N 1 1 308.342 -2.029 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)cn1 ZINC001376028360 920823687 /nfs/dbraw/zinc/82/36/87/920823687.db2.gz AJHQYFHVEHJSSR-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cn[nH]c1 ZINC001376009925 920823773 /nfs/dbraw/zinc/82/37/73/920823773.db2.gz NFYFSTAYOBWCEJ-FZMZJTMJSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001376010514 920824753 /nfs/dbraw/zinc/82/47/53/920824753.db2.gz OISXEASRCVCSCG-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1)N1CCC1 ZINC001376010514 920824764 /nfs/dbraw/zinc/82/47/64/920824764.db2.gz OISXEASRCVCSCG-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001376031087 920827915 /nfs/dbraw/zinc/82/79/15/920827915.db2.gz FIHXYIBRWSQIAR-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001376031087 920827924 /nfs/dbraw/zinc/82/79/24/920827924.db2.gz FIHXYIBRWSQIAR-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001376035577 920828037 /nfs/dbraw/zinc/82/80/37/920828037.db2.gz JJADPJPOVYGNSB-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001376032762 920828157 /nfs/dbraw/zinc/82/81/57/920828157.db2.gz IIMPBYOFJKZRPC-ZDUSSCGKSA-N 1 1 320.357 -1.727 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376036038 920828325 /nfs/dbraw/zinc/82/83/25/920828325.db2.gz MQESEPMAJJGAQE-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376036038 920828341 /nfs/dbraw/zinc/82/83/41/920828341.db2.gz MQESEPMAJJGAQE-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001376039957 920828539 /nfs/dbraw/zinc/82/85/39/920828539.db2.gz RMDQLMQRFBRTOC-GXFFZTMASA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001376039957 920828546 /nfs/dbraw/zinc/82/85/46/920828546.db2.gz RMDQLMQRFBRTOC-GXFFZTMASA-N 1 1 308.342 -2.130 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376036036 920828689 /nfs/dbraw/zinc/82/86/89/920828689.db2.gz MQESEPMAJJGAQE-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376036036 920828704 /nfs/dbraw/zinc/82/87/04/920828704.db2.gz MQESEPMAJJGAQE-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001376035564 920829105 /nfs/dbraw/zinc/82/91/05/920829105.db2.gz JJADPJPOVYGNSB-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001376033901 920829285 /nfs/dbraw/zinc/82/92/85/920829285.db2.gz JPZILNXJNDWKIJ-FZMZJTMJSA-N 1 1 323.353 -1.419 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001376040102 920829333 /nfs/dbraw/zinc/82/93/33/920829333.db2.gz SBHHJUPRBHUVDL-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001376039968 920829707 /nfs/dbraw/zinc/82/97/07/920829707.db2.gz RMDQLMQRFBRTOC-ZWNOBZJWSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001376039968 920829718 /nfs/dbraw/zinc/82/97/18/920829718.db2.gz RMDQLMQRFBRTOC-ZWNOBZJWSA-N 1 1 308.342 -2.130 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001376037736 920829933 /nfs/dbraw/zinc/82/99/33/920829933.db2.gz PREYEFALXCXVFW-CYBMUJFWSA-N 1 1 320.357 -1.877 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001376030701 920829978 /nfs/dbraw/zinc/82/99/78/920829978.db2.gz DURFJMBGNQTXSV-HIFRSBDPSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001376030701 920829992 /nfs/dbraw/zinc/82/99/92/920829992.db2.gz DURFJMBGNQTXSV-HIFRSBDPSA-N 1 1 313.398 -1.211 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376036042 920830347 /nfs/dbraw/zinc/83/03/47/920830347.db2.gz MQESEPMAJJGAQE-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376036042 920830359 /nfs/dbraw/zinc/83/03/59/920830359.db2.gz MQESEPMAJJGAQE-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001376036843 920830596 /nfs/dbraw/zinc/83/05/96/920830596.db2.gz NORRQJWQNZRNIJ-XPTSAGLGSA-N 1 1 320.353 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001376040027 920830713 /nfs/dbraw/zinc/83/07/13/920830713.db2.gz UTCSRRAYICRYKF-BXKDBHETSA-N 1 1 311.346 -2.510 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001376032761 920830853 /nfs/dbraw/zinc/83/08/53/920830853.db2.gz IIMPBYOFJKZRPC-CYBMUJFWSA-N 1 1 320.357 -1.727 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001376036848 920830899 /nfs/dbraw/zinc/83/08/99/920830899.db2.gz NORRQJWQNZRNIJ-YMTOWFKASA-N 1 1 320.353 -1.100 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376036073 920830987 /nfs/dbraw/zinc/83/09/87/920830987.db2.gz NBDXESNTGBFUQS-HIFRSBDPSA-N 1 1 324.381 -1.041 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001376041222 920832180 /nfs/dbraw/zinc/83/21/80/920832180.db2.gz ZDERTYAQNRNCIW-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC001376045429 920832610 /nfs/dbraw/zinc/83/26/10/920832610.db2.gz DDHUIIPQCDQFSE-CZUORRHYSA-N 1 1 324.425 -1.088 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001376045685 920832712 /nfs/dbraw/zinc/83/27/12/920832712.db2.gz KOTQOCDUNHIFJQ-AWEZNQCLSA-N 1 1 307.354 -1.450 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001376045685 920832725 /nfs/dbraw/zinc/83/27/25/920832725.db2.gz KOTQOCDUNHIFJQ-AWEZNQCLSA-N 1 1 307.354 -1.450 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001376040768 920833257 /nfs/dbraw/zinc/83/32/57/920833257.db2.gz USBBDRDXRYKBEZ-ZWNOBZJWSA-N 1 1 302.375 -1.497 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376042059 920833373 /nfs/dbraw/zinc/83/33/73/920833373.db2.gz ZATLBQQKFDKXJX-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376042868 920833534 /nfs/dbraw/zinc/83/35/34/920833534.db2.gz BDGKMHRBIYNGAH-HIFRSBDPSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)OC)C1 ZINC001376040757 920833577 /nfs/dbraw/zinc/83/35/77/920833577.db2.gz USBBDRDXRYKBEZ-GXFFZTMASA-N 1 1 302.375 -1.497 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ncc[nH]1 ZINC001376041079 920833869 /nfs/dbraw/zinc/83/38/69/920833869.db2.gz XECLKUANRYSYLE-QMTHXVAHSA-N 1 1 307.354 -1.145 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376042053 920834446 /nfs/dbraw/zinc/83/44/46/920834446.db2.gz ZATLBQQKFDKXJX-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001376042925 920835287 /nfs/dbraw/zinc/83/52/87/920835287.db2.gz BNXKDRFKYSZUCS-CQSZACIVSA-N 1 1 318.337 -1.439 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001376042925 920835301 /nfs/dbraw/zinc/83/53/01/920835301.db2.gz BNXKDRFKYSZUCS-CQSZACIVSA-N 1 1 318.337 -1.439 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)c1=O ZINC001376047304 920835436 /nfs/dbraw/zinc/83/54/36/920835436.db2.gz IZEXRVMEGZEMIX-HNNXBMFYSA-N 1 1 323.397 -1.065 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001376043937 920835794 /nfs/dbraw/zinc/83/57/94/920835794.db2.gz GCAMZWGXTRELSW-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001376043937 920835802 /nfs/dbraw/zinc/83/58/02/920835802.db2.gz GCAMZWGXTRELSW-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)c1=O ZINC001376047725 920836395 /nfs/dbraw/zinc/83/63/95/920836395.db2.gz ICCPWVPGXRLQTQ-CQSZACIVSA-N 1 1 309.370 -1.455 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)COC)C1 ZINC001376051478 920836959 /nfs/dbraw/zinc/83/69/59/920836959.db2.gz UGCDVQWGVLCILJ-AWEZNQCLSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)COC)C1 ZINC001376051478 920836967 /nfs/dbraw/zinc/83/69/67/920836967.db2.gz UGCDVQWGVLCILJ-AWEZNQCLSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048723 920837227 /nfs/dbraw/zinc/83/72/27/920837227.db2.gz WXTQURYOMHTXDF-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048723 920837237 /nfs/dbraw/zinc/83/72/37/920837237.db2.gz WXTQURYOMHTXDF-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001376050509 920837289 /nfs/dbraw/zinc/83/72/89/920837289.db2.gz ZFIPKAYFKKWNRT-ZDUSSCGKSA-N 1 1 311.342 -1.664 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001376050509 920837299 /nfs/dbraw/zinc/83/72/99/920837299.db2.gz ZFIPKAYFKKWNRT-ZDUSSCGKSA-N 1 1 311.342 -1.664 20 0 DAADMO CC1(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001376047939 920837999 /nfs/dbraw/zinc/83/79/99/920837999.db2.gz HLGSGEKMVYEHTR-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001376047939 920838014 /nfs/dbraw/zinc/83/80/14/920838014.db2.gz HLGSGEKMVYEHTR-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001376061310 920838606 /nfs/dbraw/zinc/83/86/06/920838606.db2.gz OWHUBZKDYHFZLK-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nc1 ZINC001376052424 920838657 /nfs/dbraw/zinc/83/86/57/920838657.db2.gz ZKALWPGLLWZQME-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nc1 ZINC001376052424 920838675 /nfs/dbraw/zinc/83/86/75/920838675.db2.gz ZKALWPGLLWZQME-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001376059093 920839251 /nfs/dbraw/zinc/83/92/51/920839251.db2.gz URYASQIFRMDTHT-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001376059093 920839264 /nfs/dbraw/zinc/83/92/64/920839264.db2.gz URYASQIFRMDTHT-IAQYHMDHSA-N 1 1 321.381 -1.516 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001376061808 920839447 /nfs/dbraw/zinc/83/94/47/920839447.db2.gz ROYAUFGLKRFOCX-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066437 920839741 /nfs/dbraw/zinc/83/97/41/920839741.db2.gz BDPLHQWFSVKCEV-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066437 920839756 /nfs/dbraw/zinc/83/97/56/920839756.db2.gz BDPLHQWFSVKCEV-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001376055153 920839794 /nfs/dbraw/zinc/83/97/94/920839794.db2.gz WQUXZKYOENYFGL-GWCFXTLKSA-N 1 1 310.358 -1.587 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2cncc2C1 ZINC001376059003 920839987 /nfs/dbraw/zinc/83/99/87/920839987.db2.gz UHSOWTFHPKEHJD-SWLSCSKDSA-N 1 1 308.382 -1.009 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001376052003 920840085 /nfs/dbraw/zinc/84/00/85/920840085.db2.gz OIPGXFWHLXMANC-AWEZNQCLSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(C)C)C1 ZINC001376052003 920840101 /nfs/dbraw/zinc/84/01/01/920840101.db2.gz OIPGXFWHLXMANC-AWEZNQCLSA-N 1 1 324.385 -1.196 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2cncc2C1 ZINC001376058941 920840758 /nfs/dbraw/zinc/84/07/58/920840758.db2.gz UHSOWTFHPKEHJD-DOMZBBRYSA-N 1 1 308.382 -1.009 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001376055154 920841148 /nfs/dbraw/zinc/84/11/48/920841148.db2.gz WQUXZKYOENYFGL-GXFFZTMASA-N 1 1 310.358 -1.587 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CC(=O)NC(N)=O)C2)C1 ZINC001376071204 920842798 /nfs/dbraw/zinc/84/27/98/920842798.db2.gz KRDNFXCXHZRXHM-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066440 920843554 /nfs/dbraw/zinc/84/35/54/920843554.db2.gz BDPLHQWFSVKCEV-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066440 920843565 /nfs/dbraw/zinc/84/35/65/920843565.db2.gz BDPLHQWFSVKCEV-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1nccn2ccnc12 ZINC001376077167 920844904 /nfs/dbraw/zinc/84/49/04/920844904.db2.gz GWMBPFYTGYZEEW-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376085940 920846508 /nfs/dbraw/zinc/84/65/08/920846508.db2.gz VFKDEFBKADFVHC-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376085940 920846519 /nfs/dbraw/zinc/84/65/19/920846519.db2.gz VFKDEFBKADFVHC-HNNXBMFYSA-N 1 1 321.381 -1.216 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001376088345 920846638 /nfs/dbraw/zinc/84/66/38/920846638.db2.gz BTHFIRCBRLUDHM-NSHDSACASA-N 1 1 311.379 -1.552 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376086665 920846802 /nfs/dbraw/zinc/84/68/02/920846802.db2.gz BOQKGTIFZNZAJV-MJVIPROJSA-N 1 1 315.370 -2.175 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN([C@@H]2CCNC2=O)C1 ZINC001376085015 920847220 /nfs/dbraw/zinc/84/72/20/920847220.db2.gz BKWQGBUJHUPQAE-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001376087211 920847492 /nfs/dbraw/zinc/84/74/92/920847492.db2.gz ZAEABNDNNNBFCV-GXSJLCMTSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001376087211 920847506 /nfs/dbraw/zinc/84/75/06/920847506.db2.gz ZAEABNDNNNBFCV-GXSJLCMTSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001376087218 920848611 /nfs/dbraw/zinc/84/86/11/920848611.db2.gz ZAEABNDNNNBFCV-MWLCHTKSSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001376087218 920848624 /nfs/dbraw/zinc/84/86/24/920848624.db2.gz ZAEABNDNNNBFCV-MWLCHTKSSA-N 1 1 311.379 -1.553 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccc2n[nH]c(=O)n2c1 ZINC001376095257 920851977 /nfs/dbraw/zinc/85/19/77/920851977.db2.gz JKKOZTPFMRSTIJ-AWEZNQCLSA-N 1 1 321.337 -1.406 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001376090286 920852011 /nfs/dbraw/zinc/85/20/11/920852011.db2.gz MVPZMLCEPLTAJK-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001376090286 920852019 /nfs/dbraw/zinc/85/20/19/920852019.db2.gz MVPZMLCEPLTAJK-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001376096687 920853108 /nfs/dbraw/zinc/85/31/08/920853108.db2.gz ZAWBQUBPAGIUBR-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376090549 920853326 /nfs/dbraw/zinc/85/33/26/920853326.db2.gz FSKGWPBVJBMZNW-GFCCVEGCSA-N 1 1 323.415 -2.187 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001376089114 920853751 /nfs/dbraw/zinc/85/37/51/920853751.db2.gz BFQSHCGPMOMTAT-XPTSAGLGSA-N 1 1 323.353 -1.097 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001376089114 920853759 /nfs/dbraw/zinc/85/37/59/920853759.db2.gz BFQSHCGPMOMTAT-XPTSAGLGSA-N 1 1 323.353 -1.097 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001376089843 920853782 /nfs/dbraw/zinc/85/37/82/920853782.db2.gz MLHHKBUYHIEQMO-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001376089843 920853794 /nfs/dbraw/zinc/85/37/94/920853794.db2.gz MLHHKBUYHIEQMO-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376092364 920854868 /nfs/dbraw/zinc/85/48/68/920854868.db2.gz PAXRANFUTBZINW-IAQYHMDHSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376092364 920854881 /nfs/dbraw/zinc/85/48/81/920854881.db2.gz PAXRANFUTBZINW-IAQYHMDHSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001376101283 920856610 /nfs/dbraw/zinc/85/66/10/920856610.db2.gz CFAAEFOOINZEEX-QWHCGFSZSA-N 1 1 311.430 -1.454 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376103368 920857046 /nfs/dbraw/zinc/85/70/46/920857046.db2.gz ZPXWDDQVJFKSDG-SMDDNHRTSA-N 1 1 312.370 -1.406 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376103966 920857119 /nfs/dbraw/zinc/85/71/19/920857119.db2.gz XAVGXEJBPBYECP-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376103966 920857130 /nfs/dbraw/zinc/85/71/30/920857130.db2.gz XAVGXEJBPBYECP-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376104007 920858335 /nfs/dbraw/zinc/85/83/35/920858335.db2.gz XAVGXEJBPBYECP-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376104007 920858348 /nfs/dbraw/zinc/85/83/48/920858348.db2.gz XAVGXEJBPBYECP-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376116588 920860877 /nfs/dbraw/zinc/86/08/77/920860877.db2.gz GPLUMJJDWYJHPH-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376115089 920862927 /nfs/dbraw/zinc/86/29/27/920862927.db2.gz CMPGIOPXANCCGQ-HZMBPMFUSA-N 1 1 323.353 -1.225 20 0 DAADMO Cc1nonc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376115089 920862938 /nfs/dbraw/zinc/86/29/38/920862938.db2.gz CMPGIOPXANCCGQ-HZMBPMFUSA-N 1 1 323.353 -1.225 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376117107 920863134 /nfs/dbraw/zinc/86/31/34/920863134.db2.gz GTVZPMPFCBPWGB-QMTHXVAHSA-N 1 1 314.386 -1.541 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001376113031 920863640 /nfs/dbraw/zinc/86/36/40/920863640.db2.gz BFZKPSOJJIYRIY-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@]1(CCC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CCC(=O)N1 ZINC001376124082 920864555 /nfs/dbraw/zinc/86/45/55/920864555.db2.gz UKMHTLFJIFQXAG-CABCVRRESA-N 1 1 313.398 -1.019 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001376130198 920864739 /nfs/dbraw/zinc/86/47/39/920864739.db2.gz RXTIKKWBMAQMJV-NSHDSACASA-N 1 1 310.358 -1.595 20 0 DAADMO C[C@]1(CCC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCC(=O)N1 ZINC001376124085 920864834 /nfs/dbraw/zinc/86/48/34/920864834.db2.gz UKMHTLFJIFQXAG-LSDHHAIUSA-N 1 1 313.398 -1.019 20 0 DAADMO O=C(COC[C@@H]1CCCO1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376125775 920865089 /nfs/dbraw/zinc/86/50/89/920865089.db2.gz XSBJBMMFWFQILI-JSGCOSHPSA-N 1 1 302.371 -1.273 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001376125587 920865674 /nfs/dbraw/zinc/86/56/74/920865674.db2.gz XCHXMBZYEHZMLP-AWEZNQCLSA-N 1 1 323.353 -1.473 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001376125587 920865690 /nfs/dbraw/zinc/86/56/90/920865690.db2.gz XCHXMBZYEHZMLP-AWEZNQCLSA-N 1 1 323.353 -1.473 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129656 920867155 /nfs/dbraw/zinc/86/71/55/920867155.db2.gz PNCALLSPFSBRSB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129656 920867174 /nfs/dbraw/zinc/86/71/74/920867174.db2.gz PNCALLSPFSBRSB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001376132199 920868941 /nfs/dbraw/zinc/86/89/41/920868941.db2.gz VAXQLSMPFRCVBH-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376138738 920872643 /nfs/dbraw/zinc/87/26/43/920872643.db2.gz ITXCAMUCICVXOF-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001376147062 920875239 /nfs/dbraw/zinc/87/52/39/920875239.db2.gz MUVHALIHHPLYAF-MDHMXLOGSA-N 1 1 310.807 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001376147062 920875257 /nfs/dbraw/zinc/87/52/57/920875257.db2.gz MUVHALIHHPLYAF-MDHMXLOGSA-N 1 1 310.807 -1.017 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1COC(=O)N1 ZINC001376162623 920878516 /nfs/dbraw/zinc/87/85/16/920878516.db2.gz MMLGXLRXLHURCZ-WDEREUQCSA-N 1 1 313.354 -1.316 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001376169812 920881608 /nfs/dbraw/zinc/88/16/08/920881608.db2.gz IOBLHYUZAPVQPZ-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001376224069 920896221 /nfs/dbraw/zinc/89/62/21/920896221.db2.gz IYESJEBNGWRBPB-WCBMZHEXSA-N 1 1 324.389 -1.316 20 0 DAADMO C[C@H]1C[C@H](C[NH+]2CC(O)(CNC(=O)c3nnn(C)n3)C2)CCO1 ZINC001376225238 920896731 /nfs/dbraw/zinc/89/67/31/920896731.db2.gz KOJXSXODAFPHNK-WDEREUQCSA-N 1 1 324.385 -1.198 20 0 DAADMO C[C@H]1C[C@@H](C[NH+]2CC(O)(CNC(=O)c3nnn(C)n3)C2)CCO1 ZINC001376225227 920897072 /nfs/dbraw/zinc/89/70/72/920897072.db2.gz KOJXSXODAFPHNK-QWRGUYRKSA-N 1 1 324.385 -1.198 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376231397 920899362 /nfs/dbraw/zinc/89/93/62/920899362.db2.gz SMAXSEAUEVOOTD-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)n1 ZINC001376232215 920899754 /nfs/dbraw/zinc/89/97/54/920899754.db2.gz ZOMHEFSGCWXGGK-GXFFZTMASA-N 1 1 322.369 -1.587 20 0 DAADMO C[C@H](O)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001376256992 920904575 /nfs/dbraw/zinc/90/45/75/920904575.db2.gz LBEDDCTVOMVQDA-LBPRGKRZSA-N 1 1 301.387 -1.748 20 0 DAADMO COCC(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001376273557 920907606 /nfs/dbraw/zinc/90/76/06/920907606.db2.gz IYONQSVRCKSLPY-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2ncnn2C)C1 ZINC001376265399 920908847 /nfs/dbraw/zinc/90/88/47/920908847.db2.gz GYPAXSVGBYQFEI-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376272423 920909435 /nfs/dbraw/zinc/90/94/35/920909435.db2.gz FGNHLMLLBADFMV-NSHDSACASA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001376288735 920911293 /nfs/dbraw/zinc/91/12/93/920911293.db2.gz JDVYPUJWLYIWTF-QWRGUYRKSA-N 1 1 309.374 -1.283 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001376280965 920911936 /nfs/dbraw/zinc/91/19/36/920911936.db2.gz IBNNFBJAXTZUHQ-LLVKDONJSA-N 1 1 324.385 -1.763 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376279194 920912258 /nfs/dbraw/zinc/91/22/58/920912258.db2.gz UEQMWHSRRXPNKT-STQMWFEESA-N 1 1 315.414 -1.502 20 0 DAADMO CCn1cc(C[NH2+][C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001376294233 920914347 /nfs/dbraw/zinc/91/43/47/920914347.db2.gz DNYDACXHSSLULY-NEPJUHHUSA-N 1 1 321.385 -1.036 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)C1 ZINC001376301597 920915244 /nfs/dbraw/zinc/91/52/44/920915244.db2.gz YASLZNHPGPPAJF-RYUDHWBXSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C[C@H](C)O)C2)C1 ZINC001376301597 920915254 /nfs/dbraw/zinc/91/52/54/920915254.db2.gz YASLZNHPGPPAJF-RYUDHWBXSA-N 1 1 301.387 -1.749 20 0 DAADMO CCn1cc(C[NH2+][C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001376294253 920915919 /nfs/dbraw/zinc/91/59/19/920915919.db2.gz DNYDACXHSSLULY-RYUDHWBXSA-N 1 1 321.385 -1.036 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001376314644 920918287 /nfs/dbraw/zinc/91/82/87/920918287.db2.gz TUKHRWRNBDSKJH-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001376312014 920918452 /nfs/dbraw/zinc/91/84/52/920918452.db2.gz IDMNDVXYLQPDMA-TUAOUCFPSA-N 1 1 319.427 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H](C)C(N)=O)C2)C1 ZINC001376301639 920918933 /nfs/dbraw/zinc/91/89/33/920918933.db2.gz ZAIDLRQWRDQBOK-QWRGUYRKSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H](C)C(N)=O)C2)C1 ZINC001376301639 920918944 /nfs/dbraw/zinc/91/89/44/920918944.db2.gz ZAIDLRQWRDQBOK-QWRGUYRKSA-N 1 1 314.386 -2.256 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001376365298 920925043 /nfs/dbraw/zinc/92/50/43/920925043.db2.gz SGTMTHLIPAJYCX-ZJUUUORDSA-N 1 1 324.389 -1.547 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001376383040 920928742 /nfs/dbraw/zinc/92/87/42/920928742.db2.gz RPYKLRJVDGMBSG-SYEHKZFSSA-N 1 1 308.382 -1.210 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001376387752 920929332 /nfs/dbraw/zinc/92/93/32/920929332.db2.gz COPSJVYEBJGETF-GRYCIOLGSA-N 1 1 324.381 -1.037 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001376390836 920929548 /nfs/dbraw/zinc/92/95/48/920929548.db2.gz QDRJMGUEFJBULH-UKKRHICBSA-N 1 1 311.386 -1.303 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001376420407 920931111 /nfs/dbraw/zinc/93/11/11/920931111.db2.gz YCKPKSHISIZTOJ-XQQFMLRXSA-N 1 1 324.385 -1.539 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376403594 920932187 /nfs/dbraw/zinc/93/21/87/920932187.db2.gz JAOJNKDRJZFSFS-WRWGMCAJSA-N 1 1 324.381 -1.004 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376407398 920932304 /nfs/dbraw/zinc/93/23/04/920932304.db2.gz HCWOUGDCBFPVLE-DTORHVGOSA-N 1 1 321.341 -1.688 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376407398 920932331 /nfs/dbraw/zinc/93/23/31/920932331.db2.gz HCWOUGDCBFPVLE-DTORHVGOSA-N 1 1 321.341 -1.688 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376407398 920932350 /nfs/dbraw/zinc/93/23/50/920932350.db2.gz HCWOUGDCBFPVLE-DTORHVGOSA-N 1 1 321.341 -1.688 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001376418041 920932435 /nfs/dbraw/zinc/93/24/35/920932435.db2.gz LUMSZYONKTZDEZ-MXWKQRLJSA-N 1 1 305.400 -1.693 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001376423537 920932687 /nfs/dbraw/zinc/93/26/87/920932687.db2.gz GIMBCMYZYUSFPG-JTQLQIEISA-N 1 1 323.401 -1.277 20 0 DAADMO COC[C@@H](OC)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001376414444 920932712 /nfs/dbraw/zinc/93/27/12/920932712.db2.gz CGBIKYRHCDJGPS-YVECIDJPSA-N 1 1 311.382 -1.074 20 0 DAADMO COC[C@H](OC)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001376407467 920933035 /nfs/dbraw/zinc/93/30/35/920933035.db2.gz CGBIKYRHCDJGPS-RNJOBUHISA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001376418039 920933592 /nfs/dbraw/zinc/93/35/92/920933592.db2.gz LUMSZYONKTZDEZ-GARJFASQSA-N 1 1 305.400 -1.693 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001376401532 920933717 /nfs/dbraw/zinc/93/37/17/920933717.db2.gz HAMIWAASDHNMGK-YVECIDJPSA-N 1 1 311.382 -1.338 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001376412950 920933777 /nfs/dbraw/zinc/93/37/77/920933777.db2.gz RCCFGTUUCHXOFS-GARJFASQSA-N 1 1 320.415 -2.189 20 0 DAADMO COCCC(=O)NC[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001376437553 920935935 /nfs/dbraw/zinc/93/59/35/920935935.db2.gz HPNXFTZMOJRZFH-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001376438657 920936195 /nfs/dbraw/zinc/93/61/95/920936195.db2.gz LDWLZMKSEZAIMM-SNVBAGLBSA-N 1 1 323.401 -1.277 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001376438657 920936200 /nfs/dbraw/zinc/93/62/00/920936200.db2.gz LDWLZMKSEZAIMM-SNVBAGLBSA-N 1 1 323.401 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001376454622 920939505 /nfs/dbraw/zinc/93/95/05/920939505.db2.gz IJGZNUOZFWMNAG-BZPMIXESSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001376465989 920941068 /nfs/dbraw/zinc/94/10/68/920941068.db2.gz XLUSEPCJTUIJGZ-SMDDNHRTSA-N 1 1 312.370 -1.026 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001376460421 920942732 /nfs/dbraw/zinc/94/27/32/920942732.db2.gz GRGDTKVRBDDUGY-ABAIWWIYSA-N 1 1 324.381 -1.282 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001376460609 920943227 /nfs/dbraw/zinc/94/32/27/920943227.db2.gz YUNYEDOZDAXRBB-OUAUKWLOSA-N 1 1 310.358 -1.248 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001376484780 920950950 /nfs/dbraw/zinc/95/09/50/920950950.db2.gz UEPIHGJRHWAVCI-DOMZBBRYSA-N 1 1 312.414 -1.243 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C2=COCCO2)C1 ZINC001376488466 920951076 /nfs/dbraw/zinc/95/10/76/920951076.db2.gz VZQSUXOFHHUHDI-WDEREUQCSA-N 1 1 313.354 -1.580 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C2=COCCO2)C1 ZINC001376488454 920951313 /nfs/dbraw/zinc/95/13/13/920951313.db2.gz VZQSUXOFHHUHDI-MNOVXSKESA-N 1 1 313.354 -1.580 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cnon2)C1 ZINC001376494475 920953296 /nfs/dbraw/zinc/95/32/96/920953296.db2.gz ROTVIANYMJTPKB-GWCFXTLKSA-N 1 1 314.342 -1.366 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cnon2)C1 ZINC001376494476 920955287 /nfs/dbraw/zinc/95/52/87/920955287.db2.gz ROTVIANYMJTPKB-GXFFZTMASA-N 1 1 314.342 -1.366 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001376507158 920962186 /nfs/dbraw/zinc/96/21/86/920962186.db2.gz KFTRFHCPTHNUGS-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376519596 920963069 /nfs/dbraw/zinc/96/30/69/920963069.db2.gz XBUCPMXACMVLEO-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cccn2)C1 ZINC001376517917 920963962 /nfs/dbraw/zinc/96/39/62/920963962.db2.gz UOIKZQJSADPLTC-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cccn2)C1 ZINC001376517917 920963973 /nfs/dbraw/zinc/96/39/73/920963973.db2.gz UOIKZQJSADPLTC-LLVKDONJSA-N 1 1 322.369 -1.094 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cnns1 ZINC001376528160 920968259 /nfs/dbraw/zinc/96/82/59/920968259.db2.gz DBMOYAKAFSHWLY-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001376536610 920970320 /nfs/dbraw/zinc/97/03/20/920970320.db2.gz SCNBMJQCZPMFMZ-SNVBAGLBSA-N 1 1 323.415 -2.036 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001376544405 920975965 /nfs/dbraw/zinc/97/59/65/920975965.db2.gz NDHCIVRROBMQBS-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn(C)cn2)C1 ZINC001376567037 920982698 /nfs/dbraw/zinc/98/26/98/920982698.db2.gz CBEVHTNXJHZECQ-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001376585556 920985283 /nfs/dbraw/zinc/98/52/83/920985283.db2.gz RHJWUKQPIFYPOG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001376585556 920985290 /nfs/dbraw/zinc/98/52/90/920985290.db2.gz RHJWUKQPIFYPOG-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001376593872 920986882 /nfs/dbraw/zinc/98/68/82/920986882.db2.gz YERPYEQDXUDFNA-ZJUUUORDSA-N 1 1 324.385 -1.839 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C2=CCOCC2)C1 ZINC001376592760 920987217 /nfs/dbraw/zinc/98/72/17/920987217.db2.gz UVEQLTOSKRZFDM-STQMWFEESA-N 1 1 311.382 -1.122 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001376598599 920989860 /nfs/dbraw/zinc/98/98/60/920989860.db2.gz PTWSIMWMYZPZCA-NSHDSACASA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001376600842 920990857 /nfs/dbraw/zinc/99/08/57/920990857.db2.gz OFEOYIUSSDYIHL-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001376611601 920991121 /nfs/dbraw/zinc/99/11/21/920991121.db2.gz NMUODRPTERIFNC-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376622564 920993399 /nfs/dbraw/zinc/99/33/99/920993399.db2.gz CUHFKMYAWDRCTH-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376622565 920993464 /nfs/dbraw/zinc/99/34/64/920993464.db2.gz CUHFKMYAWDRCTH-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376619739 920993716 /nfs/dbraw/zinc/99/37/16/920993716.db2.gz QXMXMWSSWZYJNK-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376632110 920995891 /nfs/dbraw/zinc/99/58/91/920995891.db2.gz VVNZVXWYYFPTEK-NXEZZACHSA-N 1 1 315.374 -2.540 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376627425 920995975 /nfs/dbraw/zinc/99/59/75/920995975.db2.gz LNMMRBTVRVEVHV-ZJUUUORDSA-N 1 1 311.342 -1.463 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376632139 920996474 /nfs/dbraw/zinc/99/64/74/920996474.db2.gz VVNZVXWYYFPTEK-VHSXEESVSA-N 1 1 315.374 -2.540 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376625184 920997123 /nfs/dbraw/zinc/99/71/23/920997123.db2.gz IGOFEOAVHRDTFN-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376634368 921000319 /nfs/dbraw/zinc/00/03/19/921000319.db2.gz XTHWINTXFNTLMQ-MNOVXSKESA-N 1 1 324.385 -1.716 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001376643810 921002320 /nfs/dbraw/zinc/00/23/20/921002320.db2.gz NPGQSHQNNQTFCX-IIEKFROSSA-N 1 1 308.382 -1.177 20 0 DAADMO COC[C@H](O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376648401 921004388 /nfs/dbraw/zinc/00/43/88/921004388.db2.gz RCXULHUDQNGFDY-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001376651629 921004901 /nfs/dbraw/zinc/00/49/01/921004901.db2.gz KPJQNMRCKMXLNI-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001376651629 921004915 /nfs/dbraw/zinc/00/49/15/921004915.db2.gz KPJQNMRCKMXLNI-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001376651629 921004927 /nfs/dbraw/zinc/00/49/27/921004927.db2.gz KPJQNMRCKMXLNI-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001376648228 921006307 /nfs/dbraw/zinc/00/63/07/921006307.db2.gz AWXNWDUVMLINRV-LADJIXMOSA-N 1 1 305.400 -1.649 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376654122 921007840 /nfs/dbraw/zinc/00/78/40/921007840.db2.gz INEFXCXLOYOMGK-JTQLQIEISA-N 1 1 322.369 -1.964 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cncn2C)C1 ZINC001376654792 921009099 /nfs/dbraw/zinc/00/90/99/921009099.db2.gz JAOKSAKORUGVKP-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001376714897 921018645 /nfs/dbraw/zinc/01/86/45/921018645.db2.gz ZXSHKEZDKNLZBW-UHFFFAOYSA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001376754768 921028665 /nfs/dbraw/zinc/02/86/65/921028665.db2.gz MYBFGDKIBDJHMS-VIFPVBQESA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001376788455 921029807 /nfs/dbraw/zinc/02/98/07/921029807.db2.gz CRTXUHQAVQVCKO-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001376788455 921029823 /nfs/dbraw/zinc/02/98/23/921029823.db2.gz CRTXUHQAVQVCKO-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001376786232 921030266 /nfs/dbraw/zinc/03/02/66/921030266.db2.gz ILEOYKVBQJJEBE-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO COc1cncc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001376823615 921033689 /nfs/dbraw/zinc/03/36/89/921033689.db2.gz LIBSTWKZBQCNMJ-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001376807536 921034086 /nfs/dbraw/zinc/03/40/86/921034086.db2.gz CHLNGFCQKQHQSV-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001376823614 921034156 /nfs/dbraw/zinc/03/41/56/921034156.db2.gz LIBSTWKZBQCNMJ-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376829381 921038892 /nfs/dbraw/zinc/03/88/92/921038892.db2.gz QGBUGSBDMGMBOS-MNOVXSKESA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376829381 921038902 /nfs/dbraw/zinc/03/89/02/921038902.db2.gz QGBUGSBDMGMBOS-MNOVXSKESA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001376841702 921039990 /nfs/dbraw/zinc/03/99/90/921039990.db2.gz PXEWZNWWDHLMBM-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376848188 921040579 /nfs/dbraw/zinc/04/05/79/921040579.db2.gz VIWUTPDQOKGQQT-GFCCVEGCSA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376848188 921040594 /nfs/dbraw/zinc/04/05/94/921040594.db2.gz VIWUTPDQOKGQQT-GFCCVEGCSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001376841714 921041151 /nfs/dbraw/zinc/04/11/51/921041151.db2.gz PXEWZNWWDHLMBM-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376843304 921041616 /nfs/dbraw/zinc/04/16/16/921041616.db2.gz MHKSQFJHHDQUBL-CMPLNLGQSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376843304 921041629 /nfs/dbraw/zinc/04/16/29/921041629.db2.gz MHKSQFJHHDQUBL-CMPLNLGQSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376843309 921042206 /nfs/dbraw/zinc/04/22/06/921042206.db2.gz MHKSQFJHHDQUBL-ZYHUDNBSSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376843309 921042219 /nfs/dbraw/zinc/04/22/19/921042219.db2.gz MHKSQFJHHDQUBL-ZYHUDNBSSA-N 1 1 324.385 -1.311 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001376859227 921043408 /nfs/dbraw/zinc/04/34/08/921043408.db2.gz YQMKPHRGBOTHBN-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001376859228 921045943 /nfs/dbraw/zinc/04/59/43/921045943.db2.gz YQMKPHRGBOTHBN-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCF)C(N)=O ZINC001377406855 921811658 /nfs/dbraw/zinc/81/16/58/921811658.db2.gz QYPJMMABEWZSTB-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCF)C(N)=O ZINC001377406855 921811674 /nfs/dbraw/zinc/81/16/74/921811674.db2.gz QYPJMMABEWZSTB-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001377405771 921812185 /nfs/dbraw/zinc/81/21/85/921812185.db2.gz VJGFWFIOYJVTEC-QWRGUYRKSA-N 1 1 310.354 -1.029 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)n1 ZINC001377391212 921812723 /nfs/dbraw/zinc/81/27/23/921812723.db2.gz ZBQCMEXJFBHQGF-LLVKDONJSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(N)=O)n1 ZINC001377391212 921812737 /nfs/dbraw/zinc/81/27/37/921812737.db2.gz ZBQCMEXJFBHQGF-LLVKDONJSA-N 1 1 322.369 -1.262 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001377392845 921813752 /nfs/dbraw/zinc/81/37/52/921813752.db2.gz PCQXSEBPUGLWFI-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427650 921815411 /nfs/dbraw/zinc/81/54/11/921815411.db2.gz NUGYNHVPFYSQCP-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427650 921815423 /nfs/dbraw/zinc/81/54/23/921815423.db2.gz NUGYNHVPFYSQCP-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001377411185 921816169 /nfs/dbraw/zinc/81/61/69/921816169.db2.gz UEIIXWNNVDGQDM-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001377414888 921817058 /nfs/dbraw/zinc/81/70/58/921817058.db2.gz JIIORYWMPAXCPS-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377438984 921819489 /nfs/dbraw/zinc/81/94/89/921819489.db2.gz IPYCCJUDDSWXPS-NEPJUHHUSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377439011 921819746 /nfs/dbraw/zinc/81/97/46/921819746.db2.gz IPYCCJUDDSWXPS-VXGBXAGGSA-N 1 1 324.381 -1.828 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377439012 921819805 /nfs/dbraw/zinc/81/98/05/921819805.db2.gz CQCIPGIRMZVXGP-LLVKDONJSA-N 1 1 322.369 -1.175 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001377440428 921820396 /nfs/dbraw/zinc/82/03/96/921820396.db2.gz HRWUPTUWTCSLNX-OCCSQVGLSA-N 1 1 313.398 -1.090 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377440010 921820425 /nfs/dbraw/zinc/82/04/25/921820425.db2.gz AFIUYDXTMZNAAQ-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001377447935 921820497 /nfs/dbraw/zinc/82/04/97/921820497.db2.gz QQEYKRRDJIEUCN-WDEREUQCSA-N 1 1 324.385 -1.716 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001377447381 921820750 /nfs/dbraw/zinc/82/07/50/921820750.db2.gz OSXDKQGOECNSOM-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377451452 921821967 /nfs/dbraw/zinc/82/19/67/921821967.db2.gz JEMIFSARNSUWMW-QWRGUYRKSA-N 1 1 311.386 -1.370 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377439020 921822307 /nfs/dbraw/zinc/82/23/07/921822307.db2.gz CQCIPGIRMZVXGP-NSHDSACASA-N 1 1 322.369 -1.175 20 0 DAADMO NC(=O)NC(=O)CN1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377471685 921824214 /nfs/dbraw/zinc/82/42/14/921824214.db2.gz WJGSHDRZZPXEDU-LLVKDONJSA-N 1 1 323.397 -1.285 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC001377464360 921824772 /nfs/dbraw/zinc/82/47/72/921824772.db2.gz SJIXEDRQIXDWKT-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)CCn3cnnn3)C2)C1=O ZINC001377459414 921824916 /nfs/dbraw/zinc/82/49/16/921824916.db2.gz HQYDYCUIZWZPNA-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@H](C)C(=O)N(C)C ZINC001377477639 921827596 /nfs/dbraw/zinc/82/75/96/921827596.db2.gz RQVRCAHFZOGHGY-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001377476981 921827814 /nfs/dbraw/zinc/82/78/14/921827814.db2.gz KSBBILQZEFCQHM-SNVBAGLBSA-N 1 1 308.342 -1.484 20 0 DAADMO CCn1cc(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001377513954 921829836 /nfs/dbraw/zinc/82/98/36/921829836.db2.gz QVWSCQLVXBIAHD-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)NC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001377513954 921829851 /nfs/dbraw/zinc/82/98/51/921829851.db2.gz QVWSCQLVXBIAHD-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)nnn1C ZINC001377518978 921830489 /nfs/dbraw/zinc/83/04/89/921830489.db2.gz ROKLCUYKGAXVRF-UHFFFAOYSA-N 1 1 323.357 -1.487 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)nnn1C ZINC001377518978 921830499 /nfs/dbraw/zinc/83/04/99/921830499.db2.gz ROKLCUYKGAXVRF-UHFFFAOYSA-N 1 1 323.357 -1.487 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001377529656 921831013 /nfs/dbraw/zinc/83/10/13/921831013.db2.gz WGNRCLASSPUWEA-MNOVXSKESA-N 1 1 301.343 -1.317 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)nn1 ZINC001377527815 921831435 /nfs/dbraw/zinc/83/14/35/921831435.db2.gz MARJIFDKGJGNMA-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)nn1 ZINC001377527815 921831446 /nfs/dbraw/zinc/83/14/46/921831446.db2.gz MARJIFDKGJGNMA-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO CCn1cc(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001377513958 921831808 /nfs/dbraw/zinc/83/18/08/921831808.db2.gz QVWSCQLVXBIAHD-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001377513958 921831822 /nfs/dbraw/zinc/83/18/22/921831822.db2.gz QVWSCQLVXBIAHD-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001377518829 921832047 /nfs/dbraw/zinc/83/20/47/921832047.db2.gz QWHYNVNYPHXREO-STQMWFEESA-N 1 1 302.371 -1.010 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545889 921833850 /nfs/dbraw/zinc/83/38/50/921833850.db2.gz POZRKKVQHSYXIT-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545889 921833861 /nfs/dbraw/zinc/83/38/61/921833861.db2.gz POZRKKVQHSYXIT-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001377554939 921834073 /nfs/dbraw/zinc/83/40/73/921834073.db2.gz PQDOYTRTCKGZNE-SKDRFNHKSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001377554939 921834096 /nfs/dbraw/zinc/83/40/96/921834096.db2.gz PQDOYTRTCKGZNE-SKDRFNHKSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001377554937 921834445 /nfs/dbraw/zinc/83/44/45/921834445.db2.gz PQDOYTRTCKGZNE-JOYOIKCWSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001377554937 921834451 /nfs/dbraw/zinc/83/44/51/921834451.db2.gz PQDOYTRTCKGZNE-JOYOIKCWSA-N 1 1 323.397 -1.085 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)O1 ZINC001377555533 921834571 /nfs/dbraw/zinc/83/45/71/921834571.db2.gz VEOSMDCMSWBTFA-GRYCIOLGSA-N 1 1 324.381 -1.512 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)O1 ZINC001377555533 921834581 /nfs/dbraw/zinc/83/45/81/921834581.db2.gz VEOSMDCMSWBTFA-GRYCIOLGSA-N 1 1 324.381 -1.512 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001377554932 921834621 /nfs/dbraw/zinc/83/46/21/921834621.db2.gz PQDOYTRTCKGZNE-BXKDBHETSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001377554932 921834629 /nfs/dbraw/zinc/83/46/29/921834629.db2.gz PQDOYTRTCKGZNE-BXKDBHETSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2csnn2)CC1 ZINC001377559908 921837641 /nfs/dbraw/zinc/83/76/41/921837641.db2.gz IKTNIWFEDFXCLN-MRVPVSSYSA-N 1 1 313.383 -1.031 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001377582332 921841543 /nfs/dbraw/zinc/84/15/43/921841543.db2.gz ZWCXNWNTEGKRTK-VIFPVBQESA-N 1 1 312.378 -1.362 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001377578907 921842896 /nfs/dbraw/zinc/84/28/96/921842896.db2.gz MPTRNZDZBCQTDH-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001377578907 921842909 /nfs/dbraw/zinc/84/29/09/921842909.db2.gz MPTRNZDZBCQTDH-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001377588283 921842940 /nfs/dbraw/zinc/84/29/40/921842940.db2.gz FVZUUWNVMRDQEJ-ZJUUUORDSA-N 1 1 300.363 -1.020 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377624244 921846429 /nfs/dbraw/zinc/84/64/29/921846429.db2.gz BIOPRSSVBLHCAS-VHSXEESVSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@H]([NH2+][C@H](CNC(=O)Cn1cnnn1)c1ccccc1)C(N)=O ZINC001377607955 921846447 /nfs/dbraw/zinc/84/64/47/921846447.db2.gz JNGRFJKDMABHEC-CMPLNLGQSA-N 1 1 317.353 -1.006 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCO)CC1=O ZINC001377646186 921847820 /nfs/dbraw/zinc/84/78/20/921847820.db2.gz XBCDGKRKBPGGLO-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001377660586 921848113 /nfs/dbraw/zinc/84/81/13/921848113.db2.gz VJWBKSFTUOZUBW-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001377640333 921848577 /nfs/dbraw/zinc/84/85/77/921848577.db2.gz VPQHQDZNLIBYHT-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001377649264 921848874 /nfs/dbraw/zinc/84/88/74/921848874.db2.gz ADUZMGIULOZOIR-GHMZBOCLSA-N 1 1 312.374 -1.246 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H]1CCNC1=O ZINC001377639459 921850147 /nfs/dbraw/zinc/85/01/47/921850147.db2.gz LNJDDVYSMFRNQO-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001377703424 921851293 /nfs/dbraw/zinc/85/12/93/921851293.db2.gz JVOMAAHNRCZCLE-NSHDSACASA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001377693646 921851342 /nfs/dbraw/zinc/85/13/42/921851342.db2.gz HZIFPBZIHDISCA-LLVKDONJSA-N 1 1 310.354 -1.231 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001377689168 921853110 /nfs/dbraw/zinc/85/31/10/921853110.db2.gz BSFYVFIMWYQQPD-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001377720509 921854366 /nfs/dbraw/zinc/85/43/66/921854366.db2.gz RODBZDFHIRFDBH-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001377720509 921854380 /nfs/dbraw/zinc/85/43/80/921854380.db2.gz RODBZDFHIRFDBH-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO O=C(NCC[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001377725002 921855271 /nfs/dbraw/zinc/85/52/71/921855271.db2.gz KZCAOPMCRMMMJK-RYUDHWBXSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1cncn1)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377722938 921856285 /nfs/dbraw/zinc/85/62/85/921856285.db2.gz SXLDUMJVISXVPV-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1nc(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001377720563 921856625 /nfs/dbraw/zinc/85/66/25/921856625.db2.gz MWTIUIUECZIHGO-JTQLQIEISA-N 1 1 307.354 -1.293 20 0 DAADMO O=C(NCC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001377724992 921856866 /nfs/dbraw/zinc/85/68/66/921856866.db2.gz KZCAOPMCRMMMJK-NEPJUHHUSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001377765866 921858639 /nfs/dbraw/zinc/85/86/39/921858639.db2.gz JVTHGVJQTNCAPL-JTQLQIEISA-N 1 1 309.374 -1.283 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001377741117 921859689 /nfs/dbraw/zinc/85/96/89/921859689.db2.gz RJYCIBWTYMMXJB-SECBINFHSA-N 1 1 324.345 -2.352 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001377770369 921860437 /nfs/dbraw/zinc/86/04/37/921860437.db2.gz PYSMRFRBCOQEGQ-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001377777774 921864921 /nfs/dbraw/zinc/86/49/21/921864921.db2.gz ZPVPCZSAXUYQJJ-LLVKDONJSA-N 1 1 311.386 -2.316 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001377816094 921866569 /nfs/dbraw/zinc/86/65/69/921866569.db2.gz IGSLMVUZLJIMDT-BDAKNGLRSA-N 1 1 319.387 -1.289 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001377816358 921867743 /nfs/dbraw/zinc/86/77/43/921867743.db2.gz PKJWYGOSKZQKBK-DTWKUNHWSA-N 1 1 322.373 -1.309 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001377816364 921868373 /nfs/dbraw/zinc/86/83/73/921868373.db2.gz PKJWYGOSKZQKBK-RKDXNWHRSA-N 1 1 322.373 -1.309 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001377848961 921869488 /nfs/dbraw/zinc/86/94/88/921869488.db2.gz PQKYEXUVXWOONH-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001377854935 921870302 /nfs/dbraw/zinc/87/03/02/921870302.db2.gz SORYKDGODKYZEY-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001377854935 921870313 /nfs/dbraw/zinc/87/03/13/921870313.db2.gz SORYKDGODKYZEY-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001377882820 921872222 /nfs/dbraw/zinc/87/22/22/921872222.db2.gz VUZFFAXDAJLEHH-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377880554 921872596 /nfs/dbraw/zinc/87/25/96/921872596.db2.gz JNPHBJHJHNLHIW-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001377889244 921875346 /nfs/dbraw/zinc/87/53/46/921875346.db2.gz GXOCLDODFKYAAU-WCABBAIRSA-N 1 1 311.386 -1.290 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(CC(=O)NC(=O)NCC)C1 ZINC001377939373 921883143 /nfs/dbraw/zinc/88/31/43/921883143.db2.gz KJBKCDRFRASCHY-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CCS(=O)(=O)NCCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377936893 921883633 /nfs/dbraw/zinc/88/36/33/921883633.db2.gz QLQWBKDCOJEXFI-LLVKDONJSA-N 1 1 318.443 -1.322 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001377941344 921884640 /nfs/dbraw/zinc/88/46/40/921884640.db2.gz RTURVFUTCLMBQO-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001377955542 921886970 /nfs/dbraw/zinc/88/69/70/921886970.db2.gz LMBLHKVJTSFSRE-UHFFFAOYSA-N 1 1 307.358 -1.658 20 0 DAADMO CCOCC(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001377957280 921891096 /nfs/dbraw/zinc/89/10/96/921891096.db2.gz UBCLAXGVJCBLNW-UHFFFAOYSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@@H](CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1)NC(N)=O ZINC001377976943 921894979 /nfs/dbraw/zinc/89/49/79/921894979.db2.gz ZWWPZWMUTHXBKI-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017430 921896414 /nfs/dbraw/zinc/89/64/14/921896414.db2.gz UHEMWWCPDYZVNN-NWDGAFQWSA-N 1 1 321.443 -1.202 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017430 921896424 /nfs/dbraw/zinc/89/64/24/921896424.db2.gz UHEMWWCPDYZVNN-NWDGAFQWSA-N 1 1 321.443 -1.202 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017428 921897225 /nfs/dbraw/zinc/89/72/25/921897225.db2.gz UHEMWWCPDYZVNN-NEPJUHHUSA-N 1 1 321.443 -1.202 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017428 921897228 /nfs/dbraw/zinc/89/72/28/921897228.db2.gz UHEMWWCPDYZVNN-NEPJUHHUSA-N 1 1 321.443 -1.202 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001378022786 921900305 /nfs/dbraw/zinc/90/03/05/921900305.db2.gz GFZMGCRUNCWZFW-SECBINFHSA-N 1 1 322.369 -1.177 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001378030240 921902053 /nfs/dbraw/zinc/90/20/53/921902053.db2.gz WIVJRTDQGFJWQE-NAKRPEOUSA-N 1 1 300.359 -1.664 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001378035655 921903716 /nfs/dbraw/zinc/90/37/16/921903716.db2.gz CPCIHCXPMHTLQU-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001378035655 921903722 /nfs/dbraw/zinc/90/37/22/921903722.db2.gz CPCIHCXPMHTLQU-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnnn1C ZINC001378035650 921905678 /nfs/dbraw/zinc/90/56/78/921905678.db2.gz CPCIHCXPMHTLQU-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnnn1C ZINC001378035650 921905685 /nfs/dbraw/zinc/90/56/85/921905685.db2.gz CPCIHCXPMHTLQU-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001378036574 921906203 /nfs/dbraw/zinc/90/62/03/921906203.db2.gz JBKFYXORDSVHJS-NOOOWODRSA-N 1 1 323.397 -1.051 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001378047773 921906272 /nfs/dbraw/zinc/90/62/72/921906272.db2.gz VZDXSBKDYBJLGU-VWYCJHECSA-N 1 1 305.400 -1.456 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001378047773 921906278 /nfs/dbraw/zinc/90/62/78/921906278.db2.gz VZDXSBKDYBJLGU-VWYCJHECSA-N 1 1 305.400 -1.456 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378043383 921906312 /nfs/dbraw/zinc/90/63/12/921906312.db2.gz IBXHLPSXVLIOAJ-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001378057161 921908060 /nfs/dbraw/zinc/90/80/60/921908060.db2.gz UBNHYISZUGQULF-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001378057161 921908067 /nfs/dbraw/zinc/90/80/67/921908067.db2.gz UBNHYISZUGQULF-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001378059163 921908273 /nfs/dbraw/zinc/90/82/73/921908273.db2.gz IXBBYFJXORZPTG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001378059163 921908292 /nfs/dbraw/zinc/90/82/92/921908292.db2.gz IXBBYFJXORZPTG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001378058059 921908462 /nfs/dbraw/zinc/90/84/62/921908462.db2.gz DCCRLXJFCJISGY-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001378058059 921908473 /nfs/dbraw/zinc/90/84/73/921908473.db2.gz DCCRLXJFCJISGY-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001378056199 921909281 /nfs/dbraw/zinc/90/92/81/921909281.db2.gz URJHISZZBLJCAV-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378056199 921909290 /nfs/dbraw/zinc/90/92/90/921909290.db2.gz URJHISZZBLJCAV-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001378057011 921909342 /nfs/dbraw/zinc/90/93/42/921909342.db2.gz WVUGZHNYQWTIEJ-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001378055026 921909814 /nfs/dbraw/zinc/90/98/14/921909814.db2.gz PGWPZSPULFCEPR-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001378055022 921909962 /nfs/dbraw/zinc/90/99/62/921909962.db2.gz PGWPZSPULFCEPR-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001378055416 921910118 /nfs/dbraw/zinc/91/01/18/921910118.db2.gz PGLXMPJSEPQEHP-RYUDHWBXSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001378059160 921910231 /nfs/dbraw/zinc/91/02/31/921910231.db2.gz IXBBYFJXORZPTG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001378059160 921910239 /nfs/dbraw/zinc/91/02/39/921910239.db2.gz IXBBYFJXORZPTG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001378053194 921910262 /nfs/dbraw/zinc/91/02/62/921910262.db2.gz WVJDUGHJZDCUOC-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001378053194 921910272 /nfs/dbraw/zinc/91/02/72/921910272.db2.gz WVJDUGHJZDCUOC-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001378061457 921910367 /nfs/dbraw/zinc/91/03/67/921910367.db2.gz DCQVXLTYCFPVJS-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[N@H+](C)CC(N)=O ZINC001378092606 921912161 /nfs/dbraw/zinc/91/21/61/921912161.db2.gz ZDGJKCOXPQAYOG-BDAKNGLRSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[N@@H+](C)CC(N)=O ZINC001378092606 921912176 /nfs/dbraw/zinc/91/21/76/921912176.db2.gz ZDGJKCOXPQAYOG-BDAKNGLRSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[N@H+](C)CC(N)=O ZINC001378092614 921912248 /nfs/dbraw/zinc/91/22/48/921912248.db2.gz ZDGJKCOXPQAYOG-IUCAKERBSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[N@@H+](C)CC(N)=O ZINC001378092614 921912258 /nfs/dbraw/zinc/91/22/58/921912258.db2.gz ZDGJKCOXPQAYOG-IUCAKERBSA-N 1 1 310.358 -1.532 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001378085128 921914294 /nfs/dbraw/zinc/91/42/94/921914294.db2.gz QTIWQSXNKQTHTO-JTQLQIEISA-N 1 1 315.399 -1.308 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001378085128 921914306 /nfs/dbraw/zinc/91/43/06/921914306.db2.gz QTIWQSXNKQTHTO-JTQLQIEISA-N 1 1 315.399 -1.308 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087984 921914780 /nfs/dbraw/zinc/91/47/80/921914780.db2.gz WCMBSFYCBAHIBF-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378101995 921916060 /nfs/dbraw/zinc/91/60/60/921916060.db2.gz TXSIJLIMCZUGPZ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378101995 921916071 /nfs/dbraw/zinc/91/60/71/921916071.db2.gz TXSIJLIMCZUGPZ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001378109161 921916140 /nfs/dbraw/zinc/91/61/40/921916140.db2.gz LGVMTGRVJDIPGF-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001378109161 921916153 /nfs/dbraw/zinc/91/61/53/921916153.db2.gz LGVMTGRVJDIPGF-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC001378108187 921916532 /nfs/dbraw/zinc/91/65/32/921916532.db2.gz IFKYXWCGHWFXRN-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001378115650 921916767 /nfs/dbraw/zinc/91/67/67/921916767.db2.gz SOMBHGSTBLSISL-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001378113563 921917360 /nfs/dbraw/zinc/91/73/60/921917360.db2.gz JMAGJEPOECHJAH-WDEREUQCSA-N 1 1 313.402 -1.881 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378123656 921918940 /nfs/dbraw/zinc/91/89/40/921918940.db2.gz IQVHUZVHISRJEE-SFYZADRCSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378123656 921918957 /nfs/dbraw/zinc/91/89/57/921918957.db2.gz IQVHUZVHISRJEE-SFYZADRCSA-N 1 1 314.346 -2.440 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)CCCS(C)(=O)=O ZINC001378121161 921918983 /nfs/dbraw/zinc/91/89/83/921918983.db2.gz BOCBRGQSOZKEGX-ZJUUUORDSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378121161 921918993 /nfs/dbraw/zinc/91/89/93/921918993.db2.gz BOCBRGQSOZKEGX-ZJUUUORDSA-N 1 1 320.415 -1.461 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001378132554 921920418 /nfs/dbraw/zinc/92/04/18/921920418.db2.gz GMOCTNHIYJFZFH-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001378132554 921920432 /nfs/dbraw/zinc/92/04/32/921920432.db2.gz GMOCTNHIYJFZFH-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001378132585 921920454 /nfs/dbraw/zinc/92/04/54/921920454.db2.gz HLQYTKIACWICDC-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378120318 921920609 /nfs/dbraw/zinc/92/06/09/921920609.db2.gz AUYWKYRWAKJOQG-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001378145202 921921795 /nfs/dbraw/zinc/92/17/95/921921795.db2.gz HNBGQMHWNIGPJK-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@H+](C)CC(N)=O ZINC001378156205 921921928 /nfs/dbraw/zinc/92/19/28/921921928.db2.gz PIFAZWHRDCYHCB-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+](C)CC(N)=O ZINC001378156205 921921937 /nfs/dbraw/zinc/92/19/37/921921937.db2.gz PIFAZWHRDCYHCB-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO CN(C(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378152269 921922779 /nfs/dbraw/zinc/92/27/79/921922779.db2.gz FVDJMFYWKLXRTJ-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO CN(C(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378152269 921922787 /nfs/dbraw/zinc/92/27/87/921922787.db2.gz FVDJMFYWKLXRTJ-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001378156317 921924128 /nfs/dbraw/zinc/92/41/28/921924128.db2.gz VWPUXVHKUXXVMZ-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001378156317 921924147 /nfs/dbraw/zinc/92/41/47/921924147.db2.gz VWPUXVHKUXXVMZ-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CC[N@@H+](CCO)C1 ZINC001378192767 921925683 /nfs/dbraw/zinc/92/56/83/921925683.db2.gz ACPBPNYGDPXKKF-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378184514 921926516 /nfs/dbraw/zinc/92/65/16/921926516.db2.gz OXDIRIZINCUZRB-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378184514 921926529 /nfs/dbraw/zinc/92/65/29/921926529.db2.gz OXDIRIZINCUZRB-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180926 921927224 /nfs/dbraw/zinc/92/72/24/921927224.db2.gz FAQHBWRXZOXDSA-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378184544 921928726 /nfs/dbraw/zinc/92/87/26/921928726.db2.gz OXDIRIZINCUZRB-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378184544 921928741 /nfs/dbraw/zinc/92/87/41/921928741.db2.gz OXDIRIZINCUZRB-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203866 921930257 /nfs/dbraw/zinc/93/02/57/921930257.db2.gz RPWKGXXZXLRVKQ-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203866 921930271 /nfs/dbraw/zinc/93/02/71/921930271.db2.gz RPWKGXXZXLRVKQ-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](CCO)C1 ZINC001378213738 921931522 /nfs/dbraw/zinc/93/15/22/921931522.db2.gz ZGBDXCSQQBALME-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203869 921932492 /nfs/dbraw/zinc/93/24/92/921932492.db2.gz RPWKGXXZXLRVKQ-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203869 921932499 /nfs/dbraw/zinc/93/24/99/921932499.db2.gz RPWKGXXZXLRVKQ-QWRGUYRKSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001378223210 921933390 /nfs/dbraw/zinc/93/33/90/921933390.db2.gz SCBJCUNPFHOYBN-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001378223210 921933401 /nfs/dbraw/zinc/93/34/01/921933401.db2.gz SCBJCUNPFHOYBN-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CNC(=O)Cn1ccnc1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378223079 921934454 /nfs/dbraw/zinc/93/44/54/921934454.db2.gz AEAZLXDYOZEWIH-NXEZZACHSA-N 1 1 310.358 -1.097 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001378235376 921935153 /nfs/dbraw/zinc/93/51/53/921935153.db2.gz BUZVUDBEBVMQCF-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001378224138 921936134 /nfs/dbraw/zinc/93/61/34/921936134.db2.gz CNNFAQQKVXWSMT-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001378224138 921936139 /nfs/dbraw/zinc/93/61/39/921936139.db2.gz CNNFAQQKVXWSMT-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1CC ZINC001378254655 921938880 /nfs/dbraw/zinc/93/88/80/921938880.db2.gz YJHXPWGWRZPPPQ-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001378274630 921940336 /nfs/dbraw/zinc/94/03/36/921940336.db2.gz MHDBXPJKXJIQSG-RYUDHWBXSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001378266317 921941236 /nfs/dbraw/zinc/94/12/36/921941236.db2.gz FPZJDSSTQJYIDC-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001378267893 921941527 /nfs/dbraw/zinc/94/15/27/921941527.db2.gz LILLJAIEDSTNQH-VIFPVBQESA-N 1 1 309.330 -1.351 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@H]1COC(=O)N1 ZINC001378277177 921944271 /nfs/dbraw/zinc/94/42/71/921944271.db2.gz BMGAJWVTEPSYHF-GHMZBOCLSA-N 1 1 313.354 -1.316 20 0 DAADMO CC[C@@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CC(=O)NC(=O)NC ZINC001378292312 921946140 /nfs/dbraw/zinc/94/61/40/921946140.db2.gz KZUYRTBJZJKNSG-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001378303009 921946912 /nfs/dbraw/zinc/94/69/12/921946912.db2.gz SOHDIXRUXRDRIT-ZMLRMANQSA-N 1 1 324.385 -1.168 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001378312783 921950157 /nfs/dbraw/zinc/95/01/57/921950157.db2.gz FBNRIGCOWSKMFP-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H](N2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001378313339 921950979 /nfs/dbraw/zinc/95/09/79/921950979.db2.gz BZDBSWMHLGJPOQ-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001378371847 921958734 /nfs/dbraw/zinc/95/87/34/921958734.db2.gz NWHUEJFTNSGKPF-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001378356046 921959467 /nfs/dbraw/zinc/95/94/67/921959467.db2.gz NOTJMTWZQBUVAM-NWDGAFQWSA-N 1 1 310.398 -1.620 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001378465391 921966495 /nfs/dbraw/zinc/96/64/95/921966495.db2.gz NPFBVRYTNLKGLS-NSHDSACASA-N 1 1 309.374 -1.091 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001378465391 921966503 /nfs/dbraw/zinc/96/65/03/921966503.db2.gz NPFBVRYTNLKGLS-NSHDSACASA-N 1 1 309.374 -1.091 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001378488212 921968433 /nfs/dbraw/zinc/96/84/33/921968433.db2.gz KSRMDPNNBSJHDK-LLVKDONJSA-N 1 1 309.374 -1.231 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001378555819 921973811 /nfs/dbraw/zinc/97/38/11/921973811.db2.gz MIZTVAJBXHHEJW-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC001378546853 921973872 /nfs/dbraw/zinc/97/38/72/921973872.db2.gz MTKIDLRQFWGUFE-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001378564937 921978591 /nfs/dbraw/zinc/97/85/91/921978591.db2.gz XDPXPPHZTCDUGJ-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378586600 921981762 /nfs/dbraw/zinc/98/17/62/921981762.db2.gz BWVPHDGLPVJUHL-QMTHXVAHSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@H](NC(=O)Cn1cncn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001378588001 921982434 /nfs/dbraw/zinc/98/24/34/921982434.db2.gz IOJOPIAYGBQJKT-CMPLNLGQSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001378612518 921982638 /nfs/dbraw/zinc/98/26/38/921982638.db2.gz VIQZVTJFBOIDFM-WDEREUQCSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001378612518 921982650 /nfs/dbraw/zinc/98/26/50/921982650.db2.gz VIQZVTJFBOIDFM-WDEREUQCSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664841 921992591 /nfs/dbraw/zinc/99/25/91/921992591.db2.gz PTPIJGMUVAGKJM-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664841 921992596 /nfs/dbraw/zinc/99/25/96/921992596.db2.gz PTPIJGMUVAGKJM-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378676520 921993609 /nfs/dbraw/zinc/99/36/09/921993609.db2.gz UETVXTCCDVVOHJ-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001378677624 921995870 /nfs/dbraw/zinc/99/58/70/921995870.db2.gz JFNQOUWNSAJLMD-GHMZBOCLSA-N 1 1 316.402 -1.121 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001378705868 921996589 /nfs/dbraw/zinc/99/65/89/921996589.db2.gz CKNKQQMUAXEFDN-OWUUHHOZSA-N 1 1 306.388 -2.674 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001378704529 921997180 /nfs/dbraw/zinc/99/71/80/921997180.db2.gz NTYPNFAXGKRRJP-XYYAHUGASA-N 1 1 311.382 -1.214 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CCNC(N)=O)CC1 ZINC001378698068 921998390 /nfs/dbraw/zinc/99/83/90/921998390.db2.gz FZSGBUOEJWRBGF-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001378722896 921999598 /nfs/dbraw/zinc/99/95/98/921999598.db2.gz BBFJKMSHYPLEPR-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1nccnc1N ZINC001378753967 922004689 /nfs/dbraw/zinc/00/46/89/922004689.db2.gz LEIMAFMRGAOUPG-MRVPVSSYSA-N 1 1 305.346 -1.167 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001378782068 922007037 /nfs/dbraw/zinc/00/70/37/922007037.db2.gz DABKOVHMNHFCPT-BDAKNGLRSA-N 1 1 318.403 -1.420 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001378795875 922010386 /nfs/dbraw/zinc/01/03/86/922010386.db2.gz LLWYAODKYDPIAG-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001378822002 922012541 /nfs/dbraw/zinc/01/25/41/922012541.db2.gz LJPNGJGTLDBFDX-CBAPKCEASA-N 1 1 324.341 -1.087 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001378829506 922014115 /nfs/dbraw/zinc/01/41/15/922014115.db2.gz ZIKRDQVOBQRRAH-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)c2nnn(C)n2)CC1 ZINC001378874943 922016019 /nfs/dbraw/zinc/01/60/19/922016019.db2.gz VVOPCXANUJPEEA-UHFFFAOYSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001378915123 922019045 /nfs/dbraw/zinc/01/90/45/922019045.db2.gz PDVOZWYZBLXLEG-QMMMGPOBSA-N 1 1 323.357 -1.076 20 0 DAADMO CC(C)[C@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001379007770 922023746 /nfs/dbraw/zinc/02/37/46/922023746.db2.gz XRUBMVODFYLTFJ-VIFPVBQESA-N 1 1 307.362 -1.117 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCN(C)C(=O)Cn2ncnn2)n1 ZINC001379039848 922025805 /nfs/dbraw/zinc/02/58/05/922025805.db2.gz JEMANGMFZTYISN-UHFFFAOYSA-N 1 1 321.389 -1.028 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1CC1)C(=O)Cn1ncnn1 ZINC001379044494 922025932 /nfs/dbraw/zinc/02/59/32/922025932.db2.gz SZBASGIHIYETKX-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cc[nH]c(=O)c1 ZINC001379043836 922027848 /nfs/dbraw/zinc/02/78/48/922027848.db2.gz YRTUJYILJLYPFZ-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cc[nH]c(=O)c1 ZINC001379043836 922027860 /nfs/dbraw/zinc/02/78/60/922027860.db2.gz YRTUJYILJLYPFZ-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379052984 922028472 /nfs/dbraw/zinc/02/84/72/922028472.db2.gz JVLODTGZTTYHJB-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001379077904 922028955 /nfs/dbraw/zinc/02/89/55/922028955.db2.gz KOBAKCJGIPVVOW-GMTAPVOTSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001379047904 922029300 /nfs/dbraw/zinc/02/93/00/922029300.db2.gz DNTVTSMDZWKWNT-VIFPVBQESA-N 1 1 308.404 -1.858 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001379047904 922029313 /nfs/dbraw/zinc/02/93/13/922029313.db2.gz DNTVTSMDZWKWNT-VIFPVBQESA-N 1 1 308.404 -1.858 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001379079885 922029712 /nfs/dbraw/zinc/02/97/12/922029712.db2.gz WRDUPJPZMGAKLX-LLVKDONJSA-N 1 1 322.373 -1.529 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001379073753 922030094 /nfs/dbraw/zinc/03/00/94/922030094.db2.gz HCASCKZGYGHNFI-MRVPVSSYSA-N 1 1 311.346 -1.347 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001379073753 922030107 /nfs/dbraw/zinc/03/01/07/922030107.db2.gz HCASCKZGYGHNFI-MRVPVSSYSA-N 1 1 311.346 -1.347 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001379075525 922030704 /nfs/dbraw/zinc/03/07/04/922030704.db2.gz MBLKDHMJSNBZQV-UHFFFAOYSA-N 1 1 305.356 -1.077 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001379078072 922030918 /nfs/dbraw/zinc/03/09/18/922030918.db2.gz KUXXLEGNGBLQNV-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001379078072 922030929 /nfs/dbraw/zinc/03/09/29/922030929.db2.gz KUXXLEGNGBLQNV-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379098298 922032744 /nfs/dbraw/zinc/03/27/44/922032744.db2.gz HVFGRKHWHCMACJ-ZJUUUORDSA-N 1 1 318.374 -1.379 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379098298 922032767 /nfs/dbraw/zinc/03/27/67/922032767.db2.gz HVFGRKHWHCMACJ-ZJUUUORDSA-N 1 1 318.374 -1.379 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001379082253 922033919 /nfs/dbraw/zinc/03/39/19/922033919.db2.gz KWEUFFPCUOTQOC-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001379082253 922033933 /nfs/dbraw/zinc/03/39/33/922033933.db2.gz KWEUFFPCUOTQOC-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379098296 922034165 /nfs/dbraw/zinc/03/41/65/922034165.db2.gz HVFGRKHWHCMACJ-UWVGGRQHSA-N 1 1 318.374 -1.379 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379098296 922034183 /nfs/dbraw/zinc/03/41/83/922034183.db2.gz HVFGRKHWHCMACJ-UWVGGRQHSA-N 1 1 318.374 -1.379 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCOC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001379135630 922035878 /nfs/dbraw/zinc/03/58/78/922035878.db2.gz BIMWQQJLHXQYCU-LLVKDONJSA-N 1 1 324.385 -1.196 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cnccc1=O ZINC001379120175 922037401 /nfs/dbraw/zinc/03/74/01/922037401.db2.gz RTNFVOFWOJZUOZ-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cnccc1=O ZINC001379120175 922037417 /nfs/dbraw/zinc/03/74/17/922037417.db2.gz RTNFVOFWOJZUOZ-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)CN1CCCC1=O)C(=O)c1nc[nH]n1 ZINC001379121508 922038266 /nfs/dbraw/zinc/03/82/66/922038266.db2.gz WYENHXQTHSOOLC-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001379110754 922038670 /nfs/dbraw/zinc/03/86/70/922038670.db2.gz ACGPXULBVHIWMR-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001379110754 922038689 /nfs/dbraw/zinc/03/86/89/922038689.db2.gz ACGPXULBVHIWMR-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1nnnn1C ZINC001379119365 922039353 /nfs/dbraw/zinc/03/93/53/922039353.db2.gz LDPQOLNOFJSEEN-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2)n1 ZINC001379156953 922041033 /nfs/dbraw/zinc/04/10/33/922041033.db2.gz AHHSJFYOMZETTN-LBPRGKRZSA-N 1 1 307.358 -1.088 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)[nH]n1 ZINC001379166080 922045570 /nfs/dbraw/zinc/04/55/70/922045570.db2.gz IPKRKKHVORMEQE-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cccn1C)c1nnnn1C ZINC001379170845 922047180 /nfs/dbraw/zinc/04/71/80/922047180.db2.gz OLRFVGZAFRFHGU-UWVGGRQHSA-N 1 1 307.358 -1.010 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379170178 922047387 /nfs/dbraw/zinc/04/73/87/922047387.db2.gz REMZWSBHELONRB-VHSXEESVSA-N 1 1 310.358 -1.857 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cccn1)c1nncn1C ZINC001379170849 922047863 /nfs/dbraw/zinc/04/78/63/922047863.db2.gz WSVVALHQKPVLDE-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001379170625 922048005 /nfs/dbraw/zinc/04/80/05/922048005.db2.gz MCILUKLBGAFINP-ZJUUUORDSA-N 1 1 313.358 -1.590 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001379170635 922048284 /nfs/dbraw/zinc/04/82/84/922048284.db2.gz MCSWBUAVAUTMSO-MRVPVSSYSA-N 1 1 317.371 -1.231 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001379183033 922051144 /nfs/dbraw/zinc/05/11/44/922051144.db2.gz GKRMLVCIEQPIKP-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001379177025 922052934 /nfs/dbraw/zinc/05/29/34/922052934.db2.gz FHPHQCOILMQFGY-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001379194311 922055294 /nfs/dbraw/zinc/05/52/94/922055294.db2.gz BJQVFTMQTXITGG-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001379188700 922056127 /nfs/dbraw/zinc/05/61/27/922056127.db2.gz KPVOITULQVTGKS-PWSUYJOCSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001379184354 922057417 /nfs/dbraw/zinc/05/74/17/922057417.db2.gz RFBZIBDDDIYXQP-AAEUAGOBSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)s1 ZINC001379195088 922058987 /nfs/dbraw/zinc/05/89/87/922058987.db2.gz BQBFTWRCCQUVMM-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ncc[nH]1 ZINC001379197017 922059802 /nfs/dbraw/zinc/05/98/02/922059802.db2.gz MGBZLEJJJVPIGA-SECBINFHSA-N 1 1 311.321 -1.149 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379198537 922060129 /nfs/dbraw/zinc/06/01/29/922060129.db2.gz RSZQBUAIHJSKMC-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001379197860 922061232 /nfs/dbraw/zinc/06/12/32/922061232.db2.gz YXQMLDRMRVWKPV-QMMMGPOBSA-N 1 1 320.375 -1.940 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)s1 ZINC001379195089 922062059 /nfs/dbraw/zinc/06/20/59/922062059.db2.gz BQBFTWRCCQUVMM-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001379203545 922067040 /nfs/dbraw/zinc/06/70/40/922067040.db2.gz BRKSCIDIROOPPD-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nonc2C)C1 ZINC001379204091 922067188 /nfs/dbraw/zinc/06/71/88/922067188.db2.gz WZPFLROQBFJDIY-LLVKDONJSA-N 1 1 311.342 -1.577 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1)c1nncn1C ZINC001379203305 922068536 /nfs/dbraw/zinc/06/85/36/922068536.db2.gz FRVXHWKMBQOLEI-WPRPVWTQSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1ccncc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379203752 922068645 /nfs/dbraw/zinc/06/86/45/922068645.db2.gz GXTAHWIUAACCGS-GFCCVEGCSA-N 1 1 319.369 -1.277 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001379203542 922068865 /nfs/dbraw/zinc/06/88/65/922068865.db2.gz BRKSCIDIROOPPD-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1)c1nncn1C ZINC001379203301 922068900 /nfs/dbraw/zinc/06/89/00/922068900.db2.gz FRVXHWKMBQOLEI-WCBMZHEXSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1nc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)co1 ZINC001379205654 922070678 /nfs/dbraw/zinc/07/06/78/922070678.db2.gz ZICRFZAXKYNDCD-APPZFPTMSA-N 1 1 309.330 -1.052 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)nn1 ZINC001379206445 922071160 /nfs/dbraw/zinc/07/11/60/922071160.db2.gz NIZBZRSKRQCBHW-CMPLNLGQSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CCn1ccnn1 ZINC001379205582 922071245 /nfs/dbraw/zinc/07/12/45/922071245.db2.gz YYAXGGPLTGBNBX-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001379206987 922071450 /nfs/dbraw/zinc/07/14/50/922071450.db2.gz LOIQJDUECHFHAS-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)[nH]1 ZINC001379206356 922071509 /nfs/dbraw/zinc/07/15/09/922071509.db2.gz JFUGBMWZNMXKLH-VHSXEESVSA-N 1 1 310.358 -1.794 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379205638 922072230 /nfs/dbraw/zinc/07/22/30/922072230.db2.gz MVZNSXBMNZYXKA-NXEZZACHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001379206507 922072364 /nfs/dbraw/zinc/07/23/64/922072364.db2.gz OFGBSLHSCAKLRN-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)ncn1 ZINC001379208606 922076201 /nfs/dbraw/zinc/07/62/01/922076201.db2.gz LGUVEEZFWHXVTM-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001379215592 922077461 /nfs/dbraw/zinc/07/74/61/922077461.db2.gz WXIWGZPJARRJCF-NSHDSACASA-N 1 1 322.373 -1.764 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379210184 922078342 /nfs/dbraw/zinc/07/83/42/922078342.db2.gz UETRDOOCIAQHFW-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1noc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379213892 922080021 /nfs/dbraw/zinc/08/00/21/922080021.db2.gz DDCKYUGMFHPZCC-LLVKDONJSA-N 1 1 323.357 -1.294 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001379225136 922081209 /nfs/dbraw/zinc/08/12/09/922081209.db2.gz DDERIMLMIJOMGW-GHMZBOCLSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)no1 ZINC001379220841 922081709 /nfs/dbraw/zinc/08/17/09/922081709.db2.gz JOTSYVFMDNNDCP-ONGXEEELSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)no1 ZINC001379220838 922082650 /nfs/dbraw/zinc/08/26/50/922082650.db2.gz JOTSYVFMDNNDCP-MWLCHTKSSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)c(C)o1 ZINC001379224974 922083322 /nfs/dbraw/zinc/08/33/22/922083322.db2.gz JRLOYODRHKNNLU-VIFPVBQESA-N 1 1 309.330 -1.305 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O)nc1 ZINC001379229116 922086853 /nfs/dbraw/zinc/08/68/53/922086853.db2.gz OQUXRYBKPSNVII-MNOVXSKESA-N 1 1 309.370 -1.137 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001379234018 922089101 /nfs/dbraw/zinc/08/91/01/922089101.db2.gz RPIRGDXWSGLRAM-VHSXEESVSA-N 1 1 310.358 -1.997 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2nccn2C)n1 ZINC001379237801 922090600 /nfs/dbraw/zinc/09/06/00/922090600.db2.gz SRWNCYVHVDKHCY-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001379238901 922090898 /nfs/dbraw/zinc/09/08/98/922090898.db2.gz GCNDFPNMMTVIQL-AXFHLTTASA-N 1 1 310.358 -2.014 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)n1C ZINC001379240267 922094446 /nfs/dbraw/zinc/09/44/46/922094446.db2.gz IHUUPMKJNLHQKO-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379246527 922096652 /nfs/dbraw/zinc/09/66/52/922096652.db2.gz JKANVESKIGWINE-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255984 922099589 /nfs/dbraw/zinc/09/95/89/922099589.db2.gz SVLQTUDMCWVMMB-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO COCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001379255141 922100071 /nfs/dbraw/zinc/10/00/71/922100071.db2.gz QENFBKYQKUYUIH-JTQLQIEISA-N 1 1 324.341 -1.170 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001379255985 922100997 /nfs/dbraw/zinc/10/09/97/922100997.db2.gz SVLQTUDMCWVMMB-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cnnn2)c(C)o1 ZINC001379254809 922101085 /nfs/dbraw/zinc/10/10/85/922101085.db2.gz FPIJGLNBUKPSPW-LLVKDONJSA-N 1 1 323.357 -1.065 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379256341 922101560 /nfs/dbraw/zinc/10/15/60/922101560.db2.gz HCAIPFDFHUUMPR-QWRGUYRKSA-N 1 1 324.385 -1.467 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379253798 922101634 /nfs/dbraw/zinc/10/16/34/922101634.db2.gz HAWCEPUYTNJTHY-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccncn2)n1 ZINC001379255695 922102245 /nfs/dbraw/zinc/10/22/45/922102245.db2.gz CPYBWNOFFKOAHJ-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001379259003 922103427 /nfs/dbraw/zinc/10/34/27/922103427.db2.gz NLZOMKRNZHRATJ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001379260722 922104441 /nfs/dbraw/zinc/10/44/41/922104441.db2.gz IAXGLEQJIQLGTC-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)NCC1CCC1 ZINC001379262989 922105149 /nfs/dbraw/zinc/10/51/49/922105149.db2.gz PXYBZRHLARNBOW-SNVBAGLBSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)NCC1CCC1 ZINC001379262989 922105159 /nfs/dbraw/zinc/10/51/59/922105159.db2.gz PXYBZRHLARNBOW-SNVBAGLBSA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cccn(C)c2=O)nn1 ZINC001379262113 922105329 /nfs/dbraw/zinc/10/53/29/922105329.db2.gz WCUZKNBXDFNUMM-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001379264074 922108365 /nfs/dbraw/zinc/10/83/65/922108365.db2.gz URVCBGKQCXKIFZ-GWCFXTLKSA-N 1 1 312.374 -1.407 20 0 DAADMO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001379276691 922111933 /nfs/dbraw/zinc/11/19/33/922111933.db2.gz JNUMGNKSDPEXFZ-SECBINFHSA-N 1 1 308.298 -1.956 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)[nH]1 ZINC001379277794 922112283 /nfs/dbraw/zinc/11/22/83/922112283.db2.gz OWVUQIZZXAFHFY-VHSXEESVSA-N 1 1 322.373 -1.214 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379279423 922112919 /nfs/dbraw/zinc/11/29/19/922112919.db2.gz PJJXQDGHEMWDAB-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)c1cnn(C)c1 ZINC001379281346 922113038 /nfs/dbraw/zinc/11/30/38/922113038.db2.gz CHXZMQXGUIKVGA-GXFFZTMASA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379279430 922113433 /nfs/dbraw/zinc/11/34/33/922113433.db2.gz PJJXQDGHEMWDAB-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNCc1cnn(C)n1 ZINC001379289046 922114663 /nfs/dbraw/zinc/11/46/63/922114663.db2.gz NUJANJAAISWOPP-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001379286206 922115101 /nfs/dbraw/zinc/11/51/01/922115101.db2.gz JVYOCKDXNWRLST-NSHDSACASA-N 1 1 322.373 -1.385 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)n(C)c1=O ZINC001379286485 922116106 /nfs/dbraw/zinc/11/61/06/922116106.db2.gz CNMNBBXRBFJBQL-JTQLQIEISA-N 1 1 309.326 -1.408 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1)c1nnnn1C ZINC001379286794 922116443 /nfs/dbraw/zinc/11/64/43/922116443.db2.gz KTEIRBNCNYFHRD-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)n(C)c1=O ZINC001379286490 922116473 /nfs/dbraw/zinc/11/64/73/922116473.db2.gz CNMNBBXRBFJBQL-SNVBAGLBSA-N 1 1 309.326 -1.408 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001379290013 922116916 /nfs/dbraw/zinc/11/69/16/922116916.db2.gz OZKABEHHPUXBFO-LLVKDONJSA-N 1 1 309.330 -1.602 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNCc1cnn(C)n1 ZINC001379289042 922117394 /nfs/dbraw/zinc/11/73/94/922117394.db2.gz NUJANJAAISWOPP-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001379293354 922119010 /nfs/dbraw/zinc/11/90/10/922119010.db2.gz PYFZDUGGISIUNE-MWLCHTKSSA-N 1 1 319.383 -1.078 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379294579 922120231 /nfs/dbraw/zinc/12/02/31/922120231.db2.gz SHUILWVIWUMCJK-NWDGAFQWSA-N 1 1 324.385 -1.309 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cnn(C)c1N ZINC001379347303 922129628 /nfs/dbraw/zinc/12/96/28/922129628.db2.gz DOOGFABOSAXLDN-SFYZADRCSA-N 1 1 307.362 -1.005 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001379346873 922130605 /nfs/dbraw/zinc/13/06/05/922130605.db2.gz DUMAIUFHMBDRAZ-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CNC(=O)C2CC2)nn1C ZINC001379361745 922132381 /nfs/dbraw/zinc/13/23/81/922132381.db2.gz LBUUVOSDVVUVIE-ZDUSSCGKSA-N 1 1 323.397 -1.179 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)o1 ZINC001379356735 922132919 /nfs/dbraw/zinc/13/29/19/922132919.db2.gz LODBFALJOXXUQO-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)o1 ZINC001379356739 922134245 /nfs/dbraw/zinc/13/42/45/922134245.db2.gz LODBFALJOXXUQO-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CS(=O)(=O)C1 ZINC001379367411 922135554 /nfs/dbraw/zinc/13/55/54/922135554.db2.gz YHQNNKAEVOWIDY-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001379366976 922136190 /nfs/dbraw/zinc/13/61/90/922136190.db2.gz XNPWXNUWZCKXAR-ONGXEEELSA-N 1 1 312.374 -1.611 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1=COCCO1 ZINC001379364929 922136359 /nfs/dbraw/zinc/13/63/59/922136359.db2.gz TXNHKDVJUSMPBG-SNVBAGLBSA-N 1 1 311.342 -1.247 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)c1ccc(=O)[nH]n1 ZINC001379366491 922137174 /nfs/dbraw/zinc/13/71/74/922137174.db2.gz VZTSCQVJZAOMEE-SSDOTTSWSA-N 1 1 310.339 -1.086 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001379373460 922139006 /nfs/dbraw/zinc/13/90/06/922139006.db2.gz PRWMXPQHFSJCLQ-SECBINFHSA-N 1 1 322.325 -1.776 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)c1cnccn1 ZINC001379371737 922139797 /nfs/dbraw/zinc/13/97/97/922139797.db2.gz ZDTGNRQLTCKCIG-UWVGGRQHSA-N 1 1 316.383 -1.351 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379368202 922139888 /nfs/dbraw/zinc/13/98/88/922139888.db2.gz MGQRHMAYPDVGLD-QWRGUYRKSA-N 1 1 309.370 -1.487 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)Cn1ncnn1)c1cnccn1 ZINC001379393077 922151462 /nfs/dbraw/zinc/15/14/62/922151462.db2.gz CXMFJPDVRNADNN-UWVGGRQHSA-N 1 1 306.330 -1.709 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001379395710 922151650 /nfs/dbraw/zinc/15/16/50/922151650.db2.gz PLNDWKIJDCNBRA-GXSJLCMTSA-N 1 1 324.385 -1.547 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cscn1 ZINC001379401642 922154724 /nfs/dbraw/zinc/15/47/24/922154724.db2.gz AVUJSERYFNNGAY-MRVPVSSYSA-N 1 1 321.428 -1.209 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O)C1CCC1 ZINC001379410089 922162705 /nfs/dbraw/zinc/16/27/05/922162705.db2.gz KADCQCFNQSCIJG-WCQYABFASA-N 1 1 312.414 -1.184 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O)C1CCC1 ZINC001379410089 922162712 /nfs/dbraw/zinc/16/27/12/922162712.db2.gz KADCQCFNQSCIJG-WCQYABFASA-N 1 1 312.414 -1.184 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379414216 922165443 /nfs/dbraw/zinc/16/54/43/922165443.db2.gz BDLFBRICNFLVEQ-BDAKNGLRSA-N 1 1 310.362 -1.641 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001379423627 922165507 /nfs/dbraw/zinc/16/55/07/922165507.db2.gz SRWCXSVLNXPPMV-UTLUCORTSA-N 1 1 309.374 -1.014 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001379419063 922165686 /nfs/dbraw/zinc/16/56/86/922165686.db2.gz AJEFUXSCGKZDSH-FKTZTGRPSA-N 1 1 310.358 -1.260 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001379425003 922168103 /nfs/dbraw/zinc/16/81/03/922168103.db2.gz XUCNCCMPZLMCHW-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001379426873 922168856 /nfs/dbraw/zinc/16/88/56/922168856.db2.gz OJUZYDQJSVLBTD-ONGXEEELSA-N 1 1 317.390 -2.166 20 0 DAADMO O=C(NC[C@H](CO)N[C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001379433620 922175306 /nfs/dbraw/zinc/17/53/06/922175306.db2.gz LCAQJEBGCSBLJM-OLZOCXBDSA-N 1 1 324.425 -1.040 20 0 DAADMO CCc1c(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cnn1C ZINC001379440448 922176901 /nfs/dbraw/zinc/17/69/01/922176901.db2.gz YJBPLKCFTSWECH-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001379441781 922177275 /nfs/dbraw/zinc/17/72/75/922177275.db2.gz ZYPPJYNIOJDSAE-VHSXEESVSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001379438062 922177642 /nfs/dbraw/zinc/17/76/42/922177642.db2.gz CMJCAYIUPRYDGA-NSHDSACASA-N 1 1 307.358 -1.115 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001379463393 922183762 /nfs/dbraw/zinc/18/37/62/922183762.db2.gz LALBTACFRZPDLZ-QWRGUYRKSA-N 1 1 309.370 -1.392 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001379461771 922184047 /nfs/dbraw/zinc/18/40/47/922184047.db2.gz IUTJWSVVSJJCHF-VIFPVBQESA-N 1 1 323.357 -1.382 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCC(=O)N2)nn1C ZINC001379463751 922184800 /nfs/dbraw/zinc/18/48/00/922184800.db2.gz AXEDUYJFRPWIPH-DOMZBBRYSA-N 1 1 323.397 -1.036 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCN1CCCC1=O ZINC001379464250 922185058 /nfs/dbraw/zinc/18/50/58/922185058.db2.gz LENHKJDGBBWADD-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001379465643 922185560 /nfs/dbraw/zinc/18/55/60/922185560.db2.gz ODJWOLNMUNKHHM-SSDOTTSWSA-N 1 1 305.364 -2.646 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001379463367 922185571 /nfs/dbraw/zinc/18/55/71/922185571.db2.gz KUDQKIAYRFCSES-VXNVDRBHSA-N 1 1 315.399 -1.075 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)c1 ZINC001379462206 922185897 /nfs/dbraw/zinc/18/58/97/922185897.db2.gz JGMAXRJJXCMSFP-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001379463357 922185933 /nfs/dbraw/zinc/18/59/33/922185933.db2.gz KUDQKIAYRFCSES-APPZFPTMSA-N 1 1 315.399 -1.075 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379475576 922190847 /nfs/dbraw/zinc/19/08/47/922190847.db2.gz HZQSGIPXZDPRKH-WPRPVWTQSA-N 1 1 311.346 -2.454 20 0 DAADMO Cn1cc(C[NH2+][C@H](CO)CNC(=O)CCc2c[nH]nn2)cn1 ZINC001379475127 922191982 /nfs/dbraw/zinc/19/19/82/922191982.db2.gz FYNHMHYDXXQTHU-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001379476508 922192740 /nfs/dbraw/zinc/19/27/40/922192740.db2.gz KGBWJRBIPRSNLH-VIFPVBQESA-N 1 1 312.374 -1.581 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379475572 922192901 /nfs/dbraw/zinc/19/29/01/922192901.db2.gz HZQSGIPXZDPRKH-SCZZXKLOSA-N 1 1 311.346 -2.454 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379476336 922193787 /nfs/dbraw/zinc/19/37/87/922193787.db2.gz JLOGMQKUKIPQPX-MNOVXSKESA-N 1 1 323.353 -1.662 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001379482283 922195874 /nfs/dbraw/zinc/19/58/74/922195874.db2.gz VNOCOAUMWMATJI-QMMMGPOBSA-N 1 1 324.366 -1.190 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001379483485 922200355 /nfs/dbraw/zinc/20/03/55/922200355.db2.gz ZNLWFPWJDCGLHX-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001379494353 922200577 /nfs/dbraw/zinc/20/05/77/922200577.db2.gz CKAXIARAXVWZNI-CMPLNLGQSA-N 1 1 311.386 -1.257 20 0 DAADMO CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001379506218 922205273 /nfs/dbraw/zinc/20/52/73/922205273.db2.gz ZCDPDGGHPSKOJW-JTQLQIEISA-N 1 1 314.386 -1.942 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cc(C(N)=O)c[nH]2)n1 ZINC001379503143 922206039 /nfs/dbraw/zinc/20/60/39/922206039.db2.gz KTWKTTNKYWDYEU-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nonc1C ZINC001379506111 922206934 /nfs/dbraw/zinc/20/69/34/922206934.db2.gz PWAGBAHCNICCAJ-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO CC(C)[NH+]1CCC(C(=O)NC[C@H](CO)NCC(N)=O)CC1 ZINC001379510864 922209611 /nfs/dbraw/zinc/20/96/11/922209611.db2.gz ZUMRMPKFBMBJQZ-GFCCVEGCSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCS(C)(=O)=O ZINC001379517832 922212427 /nfs/dbraw/zinc/21/24/27/922212427.db2.gz FEMIAUCUPXLBJN-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCCNC1=O)c1nnnn1C ZINC001379520088 922214092 /nfs/dbraw/zinc/21/40/92/922214092.db2.gz LIAVRNTUYNUMOK-VHSXEESVSA-N 1 1 324.389 -1.219 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC1CC1 ZINC001379528302 922216165 /nfs/dbraw/zinc/21/61/65/922216165.db2.gz PAGIAKQOXGSOON-DGCLKSJQSA-N 1 1 312.414 -1.184 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379525676 922218528 /nfs/dbraw/zinc/21/85/28/922218528.db2.gz LLLOBBIQKPUSLY-VIFPVBQESA-N 1 1 300.363 -1.583 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379525676 922218544 /nfs/dbraw/zinc/21/85/44/922218544.db2.gz LLLOBBIQKPUSLY-VIFPVBQESA-N 1 1 300.363 -1.583 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001379530398 922220534 /nfs/dbraw/zinc/22/05/34/922220534.db2.gz YLGQLHRGQKYIKX-MNOVXSKESA-N 1 1 323.353 -1.355 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379545719 922224157 /nfs/dbraw/zinc/22/41/57/922224157.db2.gz DMFXHCSAMKDAEO-KWQFWETISA-N 1 1 309.374 -1.118 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001379546145 922225009 /nfs/dbraw/zinc/22/50/09/922225009.db2.gz ROUDXFTWBDPJAX-VHSXEESVSA-N 1 1 324.389 -1.392 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)[C@@H]1C ZINC001379540278 922225441 /nfs/dbraw/zinc/22/54/41/922225441.db2.gz MIUCJRMHUQSKKE-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612523 922231278 /nfs/dbraw/zinc/23/12/78/922231278.db2.gz AJUBKYIGJVXMKO-IUCAKERBSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612523 922231296 /nfs/dbraw/zinc/23/12/96/922231296.db2.gz AJUBKYIGJVXMKO-IUCAKERBSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001379592697 922232576 /nfs/dbraw/zinc/23/25/76/922232576.db2.gz LZBIKDZMBYTPSX-WPRPVWTQSA-N 1 1 316.387 -1.899 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001379594915 922233375 /nfs/dbraw/zinc/23/33/75/922233375.db2.gz ZXYJLSOOHYMWTE-RKDXNWHRSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001379612518 922233536 /nfs/dbraw/zinc/23/35/36/922233536.db2.gz AJUBKYIGJVXMKO-DTWKUNHWSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001379612518 922233549 /nfs/dbraw/zinc/23/35/49/922233549.db2.gz AJUBKYIGJVXMKO-DTWKUNHWSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001379592693 922233838 /nfs/dbraw/zinc/23/38/38/922233838.db2.gz LZBIKDZMBYTPSX-WCBMZHEXSA-N 1 1 316.387 -1.899 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001379670287 922235094 /nfs/dbraw/zinc/23/50/94/922235094.db2.gz XIARWFMUDLNVMT-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001379670287 922235105 /nfs/dbraw/zinc/23/51/05/922235105.db2.gz XIARWFMUDLNVMT-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC001379647184 922237310 /nfs/dbraw/zinc/23/73/10/922237310.db2.gz CGTRCUGSKUKVIN-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC001379647184 922237325 /nfs/dbraw/zinc/23/73/25/922237325.db2.gz CGTRCUGSKUKVIN-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001379664312 922237622 /nfs/dbraw/zinc/23/76/22/922237622.db2.gz PLVUZGXFUVJPLG-WDEREUQCSA-N 1 1 324.447 -1.458 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001379656412 922237860 /nfs/dbraw/zinc/23/78/60/922237860.db2.gz NRMJUTOQFRKEFA-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379656412 922237871 /nfs/dbraw/zinc/23/78/71/922237871.db2.gz NRMJUTOQFRKEFA-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CC(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001379704382 922238634 /nfs/dbraw/zinc/23/86/34/922238634.db2.gz CZXDZGDKHCMGGA-MNOVXSKESA-N 1 1 319.427 -1.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001379689441 922239584 /nfs/dbraw/zinc/23/95/84/922239584.db2.gz PIUYINXODYNMAA-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379689441 922239595 /nfs/dbraw/zinc/23/95/95/922239595.db2.gz PIUYINXODYNMAA-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCS(C)(=O)=O ZINC001379693882 922239678 /nfs/dbraw/zinc/23/96/78/922239678.db2.gz WTZCKXJWWMMLOE-JTQLQIEISA-N 1 1 322.431 -1.213 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCS(C)(=O)=O ZINC001379693882 922239688 /nfs/dbraw/zinc/23/96/88/922239688.db2.gz WTZCKXJWWMMLOE-JTQLQIEISA-N 1 1 322.431 -1.213 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379739215 922244325 /nfs/dbraw/zinc/24/43/25/922244325.db2.gz JUEUQCWACSOFRL-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379739215 922244347 /nfs/dbraw/zinc/24/43/47/922244347.db2.gz JUEUQCWACSOFRL-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001379754914 922246117 /nfs/dbraw/zinc/24/61/17/922246117.db2.gz FUOIGOISLVBDBD-GXSJLCMTSA-N 1 1 322.373 -1.354 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001379745928 922248693 /nfs/dbraw/zinc/24/86/93/922248693.db2.gz NFKCLYBFLUWKSM-JTQLQIEISA-N 1 1 309.330 -1.421 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001379752998 922249299 /nfs/dbraw/zinc/24/92/99/922249299.db2.gz CMLHHLYWNXZICB-QMMMGPOBSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379752998 922249307 /nfs/dbraw/zinc/24/93/07/922249307.db2.gz CMLHHLYWNXZICB-QMMMGPOBSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379763255 922249909 /nfs/dbraw/zinc/24/99/09/922249909.db2.gz YQQXRSZWFVDAML-JTQLQIEISA-N 1 1 312.370 -1.484 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379762557 922250796 /nfs/dbraw/zinc/25/07/96/922250796.db2.gz YMZLTCBWSBPVCK-NXEZZACHSA-N 1 1 312.370 -1.485 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761262 922251067 /nfs/dbraw/zinc/25/10/67/922251067.db2.gz JJTJVIXKHMKNNS-MNOVXSKESA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761262 922251079 /nfs/dbraw/zinc/25/10/79/922251079.db2.gz JJTJVIXKHMKNNS-MNOVXSKESA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379763256 922251767 /nfs/dbraw/zinc/25/17/67/922251767.db2.gz YQQXRSZWFVDAML-SNVBAGLBSA-N 1 1 312.370 -1.484 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)CCc1nc[nH]n1 ZINC001379765896 922252472 /nfs/dbraw/zinc/25/24/72/922252472.db2.gz OLCSWWSFMHRQKU-LLVKDONJSA-N 1 1 322.373 -1.525 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001379763144 922252975 /nfs/dbraw/zinc/25/29/75/922252975.db2.gz KRVFZTQREXLFAS-GHMZBOCLSA-N 1 1 300.359 -1.252 20 0 DAADMO CN(C[C@@H](O)CNCc1nnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379759559 922253198 /nfs/dbraw/zinc/25/31/98/922253198.db2.gz POKDOMCEMZZXDJ-QWRGUYRKSA-N 1 1 311.390 -1.787 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCCN1C ZINC001379761695 922253565 /nfs/dbraw/zinc/25/35/65/922253565.db2.gz RWKJHOIZHVDWCT-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001379774387 922254345 /nfs/dbraw/zinc/25/43/45/922254345.db2.gz VRQJSBCDRNEBMR-CMPLNLGQSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779327 922258499 /nfs/dbraw/zinc/25/84/99/922258499.db2.gz AFGDHCRAYZQGJI-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779327 922258515 /nfs/dbraw/zinc/25/85/15/922258515.db2.gz AFGDHCRAYZQGJI-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ncn(C)n2)nn1 ZINC001379784386 922258575 /nfs/dbraw/zinc/25/85/75/922258575.db2.gz YJOLPWJVGDFXPP-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001379778146 922259322 /nfs/dbraw/zinc/25/93/22/922259322.db2.gz BESKUAHTNRUDDR-QMMMGPOBSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001379778146 922259337 /nfs/dbraw/zinc/25/93/37/922259337.db2.gz BESKUAHTNRUDDR-QMMMGPOBSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781567 922260525 /nfs/dbraw/zinc/26/05/25/922260525.db2.gz RZIWRLVPHFVCFT-DTWKUNHWSA-N 1 1 320.353 -1.486 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781567 922260538 /nfs/dbraw/zinc/26/05/38/922260538.db2.gz RZIWRLVPHFVCFT-DTWKUNHWSA-N 1 1 320.353 -1.486 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cnc[nH]c1=O ZINC001379798818 922265506 /nfs/dbraw/zinc/26/55/06/922265506.db2.gz IDYAWFXVXWKGEU-SECBINFHSA-N 1 1 308.298 -1.212 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001379799495 922265995 /nfs/dbraw/zinc/26/59/95/922265995.db2.gz FXGGMSXPWJCSPL-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001379802555 922267167 /nfs/dbraw/zinc/26/71/67/922267167.db2.gz SYFPCTMBYSVSHX-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001379802555 922267179 /nfs/dbraw/zinc/26/71/79/922267179.db2.gz SYFPCTMBYSVSHX-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001379798130 922267214 /nfs/dbraw/zinc/26/72/14/922267214.db2.gz DHYPGRRDJWNGIL-SNVBAGLBSA-N 1 1 308.346 -1.361 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001379802558 922267739 /nfs/dbraw/zinc/26/77/39/922267739.db2.gz SYFPCTMBYSVSHX-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001379802558 922267751 /nfs/dbraw/zinc/26/77/51/922267751.db2.gz SYFPCTMBYSVSHX-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001379823845 922272451 /nfs/dbraw/zinc/27/24/51/922272451.db2.gz NLISGWDKWQKSSG-SCZZXKLOSA-N 1 1 313.358 -1.202 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001379823847 922273845 /nfs/dbraw/zinc/27/38/45/922273845.db2.gz NLISGWDKWQKSSG-WCBMZHEXSA-N 1 1 313.358 -1.202 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001379825331 922273920 /nfs/dbraw/zinc/27/39/20/922273920.db2.gz WUMXSZFCFSWBNH-GHMZBOCLSA-N 1 1 322.369 -1.625 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001379834717 922275122 /nfs/dbraw/zinc/27/51/22/922275122.db2.gz MXEINDLZFNCWHW-WDEREUQCSA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001379834717 922275130 /nfs/dbraw/zinc/27/51/30/922275130.db2.gz MXEINDLZFNCWHW-WDEREUQCSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379831432 922275383 /nfs/dbraw/zinc/27/53/83/922275383.db2.gz YQIUBKIAKOIUPL-KOLCDFICSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001379834715 922276468 /nfs/dbraw/zinc/27/64/68/922276468.db2.gz MXEINDLZFNCWHW-MNOVXSKESA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001379834715 922276469 /nfs/dbraw/zinc/27/64/69/922276469.db2.gz MXEINDLZFNCWHW-MNOVXSKESA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1n[nH]cc1F ZINC001379835947 922277410 /nfs/dbraw/zinc/27/74/10/922277410.db2.gz IYXVMLRUXXBDHU-VIFPVBQESA-N 1 1 311.321 -1.100 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)nn1 ZINC001379866203 922282179 /nfs/dbraw/zinc/28/21/79/922282179.db2.gz UOLQWTUUIWJSFW-GFCCVEGCSA-N 1 1 322.373 -1.501 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCNC(N)=O)no1 ZINC001379862178 922282534 /nfs/dbraw/zinc/28/25/34/922282534.db2.gz PDZMMGPARPERTD-LLVKDONJSA-N 1 1 313.358 -1.050 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)nn1 ZINC001379866208 922284841 /nfs/dbraw/zinc/28/48/41/922284841.db2.gz UOLQWTUUIWJSFW-LBPRGKRZSA-N 1 1 322.373 -1.501 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001379879420 922285734 /nfs/dbraw/zinc/28/57/34/922285734.db2.gz BWBPMBUYGJBQMF-RYUDHWBXSA-N 1 1 318.370 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001379879419 922287074 /nfs/dbraw/zinc/28/70/74/922287074.db2.gz BWBPMBUYGJBQMF-NWDGAFQWSA-N 1 1 318.370 -1.367 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001379890158 922287938 /nfs/dbraw/zinc/28/79/38/922287938.db2.gz REDMOCHAGWXCDR-ONGXEEELSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001379890158 922287947 /nfs/dbraw/zinc/28/79/47/922287947.db2.gz REDMOCHAGWXCDR-ONGXEEELSA-N 1 1 302.375 -1.992 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001379879417 922288618 /nfs/dbraw/zinc/28/86/18/922288618.db2.gz BWBPMBUYGJBQMF-NEPJUHHUSA-N 1 1 318.370 -1.367 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907709 922289880 /nfs/dbraw/zinc/28/98/80/922289880.db2.gz IZKBFTDHMGQYTC-ZYHUDNBSSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907709 922289894 /nfs/dbraw/zinc/28/98/94/922289894.db2.gz IZKBFTDHMGQYTC-ZYHUDNBSSA-N 1 1 316.402 -1.650 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379915155 922290718 /nfs/dbraw/zinc/29/07/18/922290718.db2.gz RTTXIBLQGQBIFE-NEPJUHHUSA-N 1 1 316.402 -1.520 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001379903190 922290896 /nfs/dbraw/zinc/29/08/96/922290896.db2.gz ZAFNJEPOWNHFTG-NWDGAFQWSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001379916468 922291163 /nfs/dbraw/zinc/29/11/63/922291163.db2.gz RKHZACJLQOTPPP-VIFPVBQESA-N 1 1 312.374 -1.887 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001379916468 922291178 /nfs/dbraw/zinc/29/11/78/922291178.db2.gz RKHZACJLQOTPPP-VIFPVBQESA-N 1 1 312.374 -1.887 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cnnn1C ZINC001379916410 922291241 /nfs/dbraw/zinc/29/12/41/922291241.db2.gz HRTBEJBYQFBTCF-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cnnn1C ZINC001379916410 922291260 /nfs/dbraw/zinc/29/12/60/922291260.db2.gz HRTBEJBYQFBTCF-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907702 922292223 /nfs/dbraw/zinc/29/22/23/922292223.db2.gz IZKBFTDHMGQYTC-PWSUYJOCSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907702 922292239 /nfs/dbraw/zinc/29/22/39/922292239.db2.gz IZKBFTDHMGQYTC-PWSUYJOCSA-N 1 1 316.402 -1.650 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001379912666 922292291 /nfs/dbraw/zinc/29/22/91/922292291.db2.gz CLLQLEIXZIGJMI-VHSXEESVSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001379912666 922292300 /nfs/dbraw/zinc/29/23/00/922292300.db2.gz CLLQLEIXZIGJMI-VHSXEESVSA-N 1 1 316.358 -2.066 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001379917421 922292332 /nfs/dbraw/zinc/29/23/32/922292332.db2.gz MHEKQJHOUFPRPJ-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn2c(n1)CCC2 ZINC001379917421 922292343 /nfs/dbraw/zinc/29/23/43/922292343.db2.gz MHEKQJHOUFPRPJ-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001379909504 922292938 /nfs/dbraw/zinc/29/29/38/922292938.db2.gz MAXVGCCMNIOPFR-NWDGAFQWSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cncn1C ZINC001379935366 922294467 /nfs/dbraw/zinc/29/44/67/922294467.db2.gz KHFSWJJXPRCALJ-WDEREUQCSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001379922222 922295086 /nfs/dbraw/zinc/29/50/86/922295086.db2.gz ZSFWLPFKWIEPJB-QWRGUYRKSA-N 1 1 312.374 -1.664 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001379922222 922295099 /nfs/dbraw/zinc/29/50/99/922295099.db2.gz ZSFWLPFKWIEPJB-QWRGUYRKSA-N 1 1 312.374 -1.664 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001379923420 922295592 /nfs/dbraw/zinc/29/55/92/922295592.db2.gz PCBUDBYYCPQKCI-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001379939776 922295920 /nfs/dbraw/zinc/29/59/20/922295920.db2.gz RFTOJVSINXTFSG-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001379939776 922295934 /nfs/dbraw/zinc/29/59/34/922295934.db2.gz RFTOJVSINXTFSG-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)Cn1ncn(C)c1=O ZINC001379927038 922295990 /nfs/dbraw/zinc/29/59/90/922295990.db2.gz DSVKYVSDTMSZIA-NSHDSACASA-N 1 1 317.365 -1.308 20 0 DAADMO COc1cnc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nc1 ZINC001379933974 922296143 /nfs/dbraw/zinc/29/61/43/922296143.db2.gz HZVJQRZDGXLWEU-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cnc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nc1 ZINC001379933974 922296158 /nfs/dbraw/zinc/29/61/58/922296158.db2.gz HZVJQRZDGXLWEU-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001379937025 922296402 /nfs/dbraw/zinc/29/64/02/922296402.db2.gz WXGYYSJLTIOQSS-LLVKDONJSA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001379937025 922296417 /nfs/dbraw/zinc/29/64/17/922296417.db2.gz WXGYYSJLTIOQSS-LLVKDONJSA-N 1 1 310.354 -1.765 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001379940574 922296576 /nfs/dbraw/zinc/29/65/76/922296576.db2.gz FEQQRLLGCXKOEE-UWVGGRQHSA-N 1 1 312.374 -1.258 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001379928522 922297363 /nfs/dbraw/zinc/29/73/63/922297363.db2.gz HBDFOXOVGKJNNM-MNOVXSKESA-N 1 1 315.374 -2.286 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001379925221 922297908 /nfs/dbraw/zinc/29/79/08/922297908.db2.gz AKYICMKCZMYASH-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001379925221 922297917 /nfs/dbraw/zinc/29/79/17/922297917.db2.gz AKYICMKCZMYASH-VXGBXAGGSA-N 1 1 316.402 -2.057 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936743 922297977 /nfs/dbraw/zinc/29/79/77/922297977.db2.gz KDKLBYLQMRJSQY-CMPLNLGQSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936743 922297988 /nfs/dbraw/zinc/29/79/88/922297988.db2.gz KDKLBYLQMRJSQY-CMPLNLGQSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379935333 922298116 /nfs/dbraw/zinc/29/81/16/922298116.db2.gz KGHCMCXWORDVAY-NEPJUHHUSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379935333 922298130 /nfs/dbraw/zinc/29/81/30/922298130.db2.gz KGHCMCXWORDVAY-NEPJUHHUSA-N 1 1 322.427 -1.445 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC1CC1 ZINC001379942043 922299094 /nfs/dbraw/zinc/29/90/94/922299094.db2.gz HKCHMYAKVMNCMU-LLVKDONJSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC001379942043 922299103 /nfs/dbraw/zinc/29/91/03/922299103.db2.gz HKCHMYAKVMNCMU-LLVKDONJSA-N 1 1 324.385 -1.244 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001379944860 922300293 /nfs/dbraw/zinc/30/02/93/922300293.db2.gz XGSITQXAFMMFEB-VHSXEESVSA-N 1 1 317.390 -2.199 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001379944860 922300306 /nfs/dbraw/zinc/30/03/06/922300306.db2.gz XGSITQXAFMMFEB-VHSXEESVSA-N 1 1 317.390 -2.199 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001379945035 922301811 /nfs/dbraw/zinc/30/18/11/922301811.db2.gz SXBIEVVAZQWNDC-ZJUUUORDSA-N 1 1 321.399 -2.329 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001379957721 922302243 /nfs/dbraw/zinc/30/22/43/922302243.db2.gz CHZJAQKJVSKEOU-UPJWGTAASA-N 1 1 323.397 -1.244 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001379969590 922304099 /nfs/dbraw/zinc/30/40/99/922304099.db2.gz OBVXDAIZCXSMCA-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001379963615 922304660 /nfs/dbraw/zinc/30/46/60/922304660.db2.gz OHJXKDXVJWXBGZ-WDEREUQCSA-N 1 1 321.385 -1.115 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001379959905 922306090 /nfs/dbraw/zinc/30/60/90/922306090.db2.gz GXNZRDVCTHAJEV-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962080 922306498 /nfs/dbraw/zinc/30/64/98/922306498.db2.gz JCBDPXACLWHUDF-RKDXNWHRSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962080 922306510 /nfs/dbraw/zinc/30/65/10/922306510.db2.gz JCBDPXACLWHUDF-RKDXNWHRSA-N 1 1 313.358 -1.636 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@H](C)C(N)=O ZINC001379972941 922309285 /nfs/dbraw/zinc/30/92/85/922309285.db2.gz PJCOOFDRVRNMPO-VXGBXAGGSA-N 1 1 302.419 -1.049 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974958 922311507 /nfs/dbraw/zinc/31/15/07/922311507.db2.gz VMLZGFSLJRTQIR-QWRGUYRKSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974958 922311522 /nfs/dbraw/zinc/31/15/22/922311522.db2.gz VMLZGFSLJRTQIR-QWRGUYRKSA-N 1 1 311.386 -1.162 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984011 922313350 /nfs/dbraw/zinc/31/33/50/922313350.db2.gz VSIFRFRPXGCETK-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984011 922313367 /nfs/dbraw/zinc/31/33/67/922313367.db2.gz VSIFRFRPXGCETK-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001379985396 922314554 /nfs/dbraw/zinc/31/45/54/922314554.db2.gz QPQRWZNAKQLEKT-AAEUAGOBSA-N 1 1 313.402 -1.120 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984021 922314752 /nfs/dbraw/zinc/31/47/52/922314752.db2.gz VSIFRFRPXGCETK-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984021 922314766 /nfs/dbraw/zinc/31/47/66/922314766.db2.gz VSIFRFRPXGCETK-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001379989625 922315140 /nfs/dbraw/zinc/31/51/40/922315140.db2.gz YVWZWXAVBRPQOL-LBPRGKRZSA-N 1 1 322.369 -1.673 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001379989625 922315158 /nfs/dbraw/zinc/31/51/58/922315158.db2.gz YVWZWXAVBRPQOL-LBPRGKRZSA-N 1 1 322.369 -1.673 20 0 DAADMO COc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)cnn1C ZINC001379989170 922315551 /nfs/dbraw/zinc/31/55/51/922315551.db2.gz XKKRFPGWFZISDT-SNVBAGLBSA-N 1 1 300.359 -1.214 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984615 922315768 /nfs/dbraw/zinc/31/57/68/922315768.db2.gz NEPISSLGYCQVRF-GHMZBOCLSA-N 1 1 314.386 -1.531 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001380021803 922318573 /nfs/dbraw/zinc/31/85/73/922318573.db2.gz VYZJSUBZCZKXQX-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001380021803 922318592 /nfs/dbraw/zinc/31/85/92/922318592.db2.gz VYZJSUBZCZKXQX-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H]1CC[N@@H+]1CCCO ZINC001380004544 922319074 /nfs/dbraw/zinc/31/90/74/922319074.db2.gz BSKQIAURTAYAEA-LBPRGKRZSA-N 1 1 323.397 -1.046 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380019709 922319260 /nfs/dbraw/zinc/31/92/60/922319260.db2.gz ZMODNKVZIVAAPC-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001380009608 922319401 /nfs/dbraw/zinc/31/94/01/922319401.db2.gz PJXBDRUFFWYPGX-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO COc1nccc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)n1 ZINC001380052068 922321790 /nfs/dbraw/zinc/32/17/90/922321790.db2.gz WWPWZOWAAPDXJY-UHFFFAOYSA-N 1 1 318.341 -1.090 20 0 DAADMO COC(=O)NCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001380064063 922323525 /nfs/dbraw/zinc/32/35/25/922323525.db2.gz YZDFPKUETLTBNO-UHFFFAOYSA-N 1 1 312.330 -1.797 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCNC1=O ZINC001380115954 922330338 /nfs/dbraw/zinc/33/03/38/922330338.db2.gz LEOWBYAYNPTMNN-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCNC1=O ZINC001380115954 922330350 /nfs/dbraw/zinc/33/03/50/922330350.db2.gz LEOWBYAYNPTMNN-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)c1cn(C)c(=O)n1C ZINC001380117411 922332002 /nfs/dbraw/zinc/33/20/02/922332002.db2.gz SSDLHUXTWYTUCS-UHFFFAOYSA-N 1 1 300.359 -1.606 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001380154433 922334570 /nfs/dbraw/zinc/33/45/70/922334570.db2.gz YAYKLGVEJRTRNK-UHFFFAOYSA-N 1 1 323.401 -1.329 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)NC[C@H]1CCOC1 ZINC001380156918 922336335 /nfs/dbraw/zinc/33/63/35/922336335.db2.gz JQLFGDZYXAKORM-SNVBAGLBSA-N 1 1 322.369 -1.191 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)NC[C@H]1CCOC1 ZINC001380156918 922336350 /nfs/dbraw/zinc/33/63/50/922336350.db2.gz JQLFGDZYXAKORM-SNVBAGLBSA-N 1 1 322.369 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001380207949 922339475 /nfs/dbraw/zinc/33/94/75/922339475.db2.gz RTIOMPQOALHTLJ-OCCSQVGLSA-N 1 1 324.385 -1.395 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001380208719 922339750 /nfs/dbraw/zinc/33/97/50/922339750.db2.gz YSBPAANQCACWJQ-XHDPSFHLSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001380208716 922340252 /nfs/dbraw/zinc/34/02/52/922340252.db2.gz YSBPAANQCACWJQ-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380254389 922342454 /nfs/dbraw/zinc/34/24/54/922342454.db2.gz CLTCKCHTJIWPBN-ZJUUUORDSA-N 1 1 311.386 -1.336 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001380246426 922343349 /nfs/dbraw/zinc/34/33/49/922343349.db2.gz XTGSSVFKADLOQE-UHFFFAOYSA-N 1 1 310.395 -1.115 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001380239810 922343707 /nfs/dbraw/zinc/34/37/07/922343707.db2.gz AQFSAWDPJGGRNJ-JTQLQIEISA-N 1 1 322.431 -1.440 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001380242813 922343945 /nfs/dbraw/zinc/34/39/45/922343945.db2.gz SORMIIUPUBMCCZ-LLVKDONJSA-N 1 1 323.415 -1.795 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@]1(C)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001380342590 922351894 /nfs/dbraw/zinc/35/18/94/922351894.db2.gz BTOKKEYRQDEADA-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001380342590 922351911 /nfs/dbraw/zinc/35/19/11/922351911.db2.gz BTOKKEYRQDEADA-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1ccnn1CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380351574 922352073 /nfs/dbraw/zinc/35/20/73/922352073.db2.gz FZYZTAIVEOVSQM-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1ccnn1CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380351574 922352088 /nfs/dbraw/zinc/35/20/88/922352088.db2.gz FZYZTAIVEOVSQM-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380346821 922353077 /nfs/dbraw/zinc/35/30/77/922353077.db2.gz AYTPQNNVWWIQOJ-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001380361649 922354358 /nfs/dbraw/zinc/35/43/58/922354358.db2.gz TVIGFOITIVASEV-AWEZNQCLSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001380361649 922354371 /nfs/dbraw/zinc/35/43/71/922354371.db2.gz TVIGFOITIVASEV-AWEZNQCLSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001380361657 922354592 /nfs/dbraw/zinc/35/45/92/922354592.db2.gz TVIGFOITIVASEV-CQSZACIVSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001380361657 922354607 /nfs/dbraw/zinc/35/46/07/922354607.db2.gz TVIGFOITIVASEV-CQSZACIVSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353053 922354710 /nfs/dbraw/zinc/35/47/10/922354710.db2.gz GMJPSPFNSOYCHX-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353053 922354726 /nfs/dbraw/zinc/35/47/26/922354726.db2.gz GMJPSPFNSOYCHX-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001380407601 922356569 /nfs/dbraw/zinc/35/65/69/922356569.db2.gz VOMHYOWTCTUKPA-TVQRCGJNSA-N 1 1 323.357 -1.353 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001380407599 922357751 /nfs/dbraw/zinc/35/77/51/922357751.db2.gz VOMHYOWTCTUKPA-RNCFNFMXSA-N 1 1 323.357 -1.353 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001380416597 922359495 /nfs/dbraw/zinc/35/94/95/922359495.db2.gz BAWSHENPORPMBN-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@]1(CNC(=O)CN2CCNC(=O)C2)CCC[N@@H+](CCO)C1 ZINC001380466506 922360208 /nfs/dbraw/zinc/36/02/08/922360208.db2.gz AFGJFXGJTQTXCZ-OAHLLOKOSA-N 1 1 312.414 -1.371 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001380516268 922361569 /nfs/dbraw/zinc/36/15/69/922361569.db2.gz NJRUENDYDXRXHF-HNNXBMFYSA-N 1 1 323.397 -1.167 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)c1 ZINC001380516268 922361576 /nfs/dbraw/zinc/36/15/76/922361576.db2.gz NJRUENDYDXRXHF-HNNXBMFYSA-N 1 1 323.397 -1.167 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001380516951 922361611 /nfs/dbraw/zinc/36/16/11/922361611.db2.gz XGIGDFHNSWEEBI-TVQRCGJNSA-N 1 1 314.342 -2.087 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001380516951 922361624 /nfs/dbraw/zinc/36/16/24/922361624.db2.gz XGIGDFHNSWEEBI-TVQRCGJNSA-N 1 1 314.342 -2.087 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001380517327 922363108 /nfs/dbraw/zinc/36/31/08/922363108.db2.gz GDJBKTQMCBBBAG-SMDDNHRTSA-N 1 1 315.370 -1.909 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001380517327 922363126 /nfs/dbraw/zinc/36/31/26/922363126.db2.gz GDJBKTQMCBBBAG-SMDDNHRTSA-N 1 1 315.370 -1.909 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380514350 922363456 /nfs/dbraw/zinc/36/34/56/922363456.db2.gz HLHSFIXVXWJDPW-ZYHUDNBSSA-N 1 1 314.346 -2.767 20 0 DAADMO CN1CC(C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)=NC1=O ZINC001380504638 922363670 /nfs/dbraw/zinc/36/36/70/922363670.db2.gz PMKQKPNRLXQVFK-UHFFFAOYSA-N 1 1 311.342 -1.520 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)no1 ZINC001380530151 922365777 /nfs/dbraw/zinc/36/57/77/922365777.db2.gz IBFAWFQUDJYQFA-IUODEOHRSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)no1 ZINC001380530151 922365787 /nfs/dbraw/zinc/36/57/87/922365787.db2.gz IBFAWFQUDJYQFA-IUODEOHRSA-N 1 1 322.365 -1.033 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380521230 922366598 /nfs/dbraw/zinc/36/65/98/922366598.db2.gz MINYEKSKWBCNPN-FZMZJTMJSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380521230 922366611 /nfs/dbraw/zinc/36/66/11/922366611.db2.gz MINYEKSKWBCNPN-FZMZJTMJSA-N 1 1 312.370 -2.094 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001380530363 922366896 /nfs/dbraw/zinc/36/68/96/922366896.db2.gz CTXJUCSOMDQHQA-AWEZNQCLSA-N 1 1 324.385 -1.399 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001380530363 922366906 /nfs/dbraw/zinc/36/69/06/922366906.db2.gz CTXJUCSOMDQHQA-AWEZNQCLSA-N 1 1 324.385 -1.399 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001380536846 922371460 /nfs/dbraw/zinc/37/14/60/922371460.db2.gz VIWMUIWZSPIDMV-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001380536846 922371474 /nfs/dbraw/zinc/37/14/74/922371474.db2.gz VIWMUIWZSPIDMV-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc3ccnn32)C1 ZINC001380540425 922371811 /nfs/dbraw/zinc/37/18/11/922371811.db2.gz VSPCGKVZRFDIFS-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc3ccnn32)C1 ZINC001380540425 922371827 /nfs/dbraw/zinc/37/18/27/922371827.db2.gz VSPCGKVZRFDIFS-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001380538915 922372045 /nfs/dbraw/zinc/37/20/45/922372045.db2.gz XTUONTUEGVZXGC-RISCZKNCSA-N 1 1 312.370 -1.108 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001380538905 922372261 /nfs/dbraw/zinc/37/22/61/922372261.db2.gz XTUONTUEGVZXGC-BXUZGUMPSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001380533690 922372403 /nfs/dbraw/zinc/37/24/03/922372403.db2.gz OSNQTIZLODRJLC-QMTHXVAHSA-N 1 1 322.369 -1.821 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001380533690 922372413 /nfs/dbraw/zinc/37/24/13/922372413.db2.gz OSNQTIZLODRJLC-QMTHXVAHSA-N 1 1 322.369 -1.821 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380533548 922372879 /nfs/dbraw/zinc/37/28/79/922372879.db2.gz MBETVLMSRQBCEX-DOMZBBRYSA-N 1 1 323.397 -1.221 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380539150 922372928 /nfs/dbraw/zinc/37/29/28/922372928.db2.gz TZHADHGARAQPJC-GFCCVEGCSA-N 1 1 321.399 -2.433 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001380532058 922374396 /nfs/dbraw/zinc/37/43/96/922374396.db2.gz JIYBZVSIQXQPOQ-AWEZNQCLSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001380532058 922374412 /nfs/dbraw/zinc/37/44/12/922374412.db2.gz JIYBZVSIQXQPOQ-AWEZNQCLSA-N 1 1 301.387 -1.211 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cccn2nnnc12 ZINC001380539195 922374596 /nfs/dbraw/zinc/37/45/96/922374596.db2.gz KVUKORJCBJMDEB-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001380537338 922375151 /nfs/dbraw/zinc/37/51/51/922375151.db2.gz HZBLRWGVOXGULL-ZDUSSCGKSA-N 1 1 310.358 -1.660 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001380545113 922376358 /nfs/dbraw/zinc/37/63/58/922376358.db2.gz RPZAHOLOMQONQO-SMDDNHRTSA-N 1 1 314.386 -1.678 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ncccn1 ZINC001380548205 922377128 /nfs/dbraw/zinc/37/71/28/922377128.db2.gz FEXPRFYDTSWWOF-IAQYHMDHSA-N 1 1 319.365 -1.078 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001380541655 922377205 /nfs/dbraw/zinc/37/72/05/922377205.db2.gz RVLKHNQHTKORBZ-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001380541655 922377216 /nfs/dbraw/zinc/37/72/16/922377216.db2.gz RVLKHNQHTKORBZ-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542347 922378476 /nfs/dbraw/zinc/37/84/76/922378476.db2.gz QLLPZYNLQGHFKY-ZDUSSCGKSA-N 1 1 316.358 -2.871 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542347 922378492 /nfs/dbraw/zinc/37/84/92/922378492.db2.gz QLLPZYNLQGHFKY-ZDUSSCGKSA-N 1 1 316.358 -2.871 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543336 922378647 /nfs/dbraw/zinc/37/86/47/922378647.db2.gz AUAGMMIVAFBYNN-VINAVUOLSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543336 922378668 /nfs/dbraw/zinc/37/86/68/922378668.db2.gz AUAGMMIVAFBYNN-VINAVUOLSA-N 1 1 309.366 -1.680 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001380545111 922378695 /nfs/dbraw/zinc/37/86/95/922378695.db2.gz RPZAHOLOMQONQO-RISCZKNCSA-N 1 1 314.386 -1.678 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380545770 922379817 /nfs/dbraw/zinc/37/98/17/922379817.db2.gz XMVHNEWFSQQZIJ-LLVKDONJSA-N 1 1 309.388 -2.529 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001380547491 922380146 /nfs/dbraw/zinc/38/01/46/922380146.db2.gz ZUXAPQBZGDBOOC-CMPLNLGQSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001380547491 922380158 /nfs/dbraw/zinc/38/01/58/922380158.db2.gz ZUXAPQBZGDBOOC-CMPLNLGQSA-N 1 1 306.384 -2.034 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380553408 922381149 /nfs/dbraw/zinc/38/11/49/922381149.db2.gz PHAWEAOZPAPFFQ-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380553408 922381157 /nfs/dbraw/zinc/38/11/57/922381157.db2.gz PHAWEAOZPAPFFQ-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001380549406 922381901 /nfs/dbraw/zinc/38/19/01/922381901.db2.gz HXUYXAMKOAXVJS-RNCFNFMXSA-N 1 1 311.342 -1.287 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001380550358 922382285 /nfs/dbraw/zinc/38/22/85/922382285.db2.gz ISKRWMCKWQULGY-XHDPSFHLSA-N 1 1 321.381 -1.264 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001380552383 922382338 /nfs/dbraw/zinc/38/23/38/922382338.db2.gz KPFBSKYRKGJLSS-LLVKDONJSA-N 1 1 324.403 -3.024 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380548910 922382918 /nfs/dbraw/zinc/38/29/18/922382918.db2.gz BXDSAOQJRMJLOJ-IINYFYTJSA-N 1 1 322.369 -1.442 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380553404 922383194 /nfs/dbraw/zinc/38/31/94/922383194.db2.gz PHAWEAOZPAPFFQ-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380553404 922383209 /nfs/dbraw/zinc/38/32/09/922383209.db2.gz PHAWEAOZPAPFFQ-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001380552083 922383694 /nfs/dbraw/zinc/38/36/94/922383694.db2.gz RFHDIIZWENOOJI-IINYFYTJSA-N 1 1 310.354 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548304 922383771 /nfs/dbraw/zinc/38/37/71/922383771.db2.gz FPJKDSOQVNDASP-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548304 922383787 /nfs/dbraw/zinc/38/37/87/922383787.db2.gz FPJKDSOQVNDASP-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccnnc1 ZINC001380553823 922383962 /nfs/dbraw/zinc/38/39/62/922383962.db2.gz JVNGCLINHOTMRN-DOMZBBRYSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001380552088 922384207 /nfs/dbraw/zinc/38/42/07/922384207.db2.gz RFHDIIZWENOOJI-YGRLFVJLSA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccnnc1 ZINC001380553825 922384519 /nfs/dbraw/zinc/38/45/19/922384519.db2.gz JVNGCLINHOTMRN-SWLSCSKDSA-N 1 1 319.365 -1.078 20 0 DAADMO COc1ccnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001380552315 922384629 /nfs/dbraw/zinc/38/46/29/922384629.db2.gz KNKMUBQBSWRHNU-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001380552315 922384646 /nfs/dbraw/zinc/38/46/46/922384646.db2.gz KNKMUBQBSWRHNU-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001380549408 922384972 /nfs/dbraw/zinc/38/49/72/922384972.db2.gz HXUYXAMKOAXVJS-TVQRCGJNSA-N 1 1 311.342 -1.287 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553091 922385250 /nfs/dbraw/zinc/38/52/50/922385250.db2.gz LUUIPQIYEQNYHQ-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553091 922385260 /nfs/dbraw/zinc/38/52/60/922385260.db2.gz LUUIPQIYEQNYHQ-UFBFGSQYSA-N 1 1 313.383 -1.161 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)o1 ZINC001380554586 922386244 /nfs/dbraw/zinc/38/62/44/922386244.db2.gz OAQFMHYRKRPNLY-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)o1 ZINC001380554586 922386256 /nfs/dbraw/zinc/38/62/56/922386256.db2.gz OAQFMHYRKRPNLY-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001380556173 922386904 /nfs/dbraw/zinc/38/69/04/922386904.db2.gz VVVFRKSJWFVXED-IINYFYTJSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001380555099 922387122 /nfs/dbraw/zinc/38/71/22/922387122.db2.gz PLLAKWJSPHWPQF-CQSZACIVSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001380554557 922387315 /nfs/dbraw/zinc/38/73/15/922387315.db2.gz CIQPAFUPRYAIJX-TYNCELHUSA-N 1 1 321.381 -1.443 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380555885 922387882 /nfs/dbraw/zinc/38/78/82/922387882.db2.gz RNGPVPMWTPBFLZ-QMTHXVAHSA-N 1 1 323.353 -1.283 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380554069 922388153 /nfs/dbraw/zinc/38/81/53/922388153.db2.gz QGASCHHKTCLCEP-HZMBPMFUSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380554069 922388167 /nfs/dbraw/zinc/38/81/67/922388167.db2.gz QGASCHHKTCLCEP-HZMBPMFUSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380557908 922388413 /nfs/dbraw/zinc/38/84/13/922388413.db2.gz ZQCVLTAVEFAGEO-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO COc1ncccc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380558120 922388578 /nfs/dbraw/zinc/38/85/78/922388578.db2.gz YDBJSPZYWLEZNI-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ncccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380558120 922388595 /nfs/dbraw/zinc/38/85/95/922388595.db2.gz YDBJSPZYWLEZNI-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380555504 922390485 /nfs/dbraw/zinc/39/04/85/922390485.db2.gz QFZLPOXPMUSNMK-IINYFYTJSA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380555504 922390500 /nfs/dbraw/zinc/39/05/00/922390500.db2.gz QFZLPOXPMUSNMK-IINYFYTJSA-N 1 1 324.385 -1.620 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001380567723 922391122 /nfs/dbraw/zinc/39/11/22/922391122.db2.gz NZPYSWBKQKWPLW-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001380567723 922391135 /nfs/dbraw/zinc/39/11/35/922391135.db2.gz NZPYSWBKQKWPLW-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001380567032 922391339 /nfs/dbraw/zinc/39/13/39/922391339.db2.gz AGLJVJMHYWZIGH-YPMHNXCESA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001380567027 922391473 /nfs/dbraw/zinc/39/14/73/922391473.db2.gz AGLJVJMHYWZIGH-WCQYABFASA-N 1 1 319.427 -1.113 20 0 DAADMO CC[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566113 922391984 /nfs/dbraw/zinc/39/19/84/922391984.db2.gz PGMIITBIRSYSOL-WBMJQRKESA-N 1 1 324.425 -1.101 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn3ccccc3n2)C1 ZINC001380569481 922392207 /nfs/dbraw/zinc/39/22/07/922392207.db2.gz IEKJKKDAVQVOCH-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn3ccccc3n2)C1 ZINC001380569481 922392223 /nfs/dbraw/zinc/39/22/23/922392223.db2.gz IEKJKKDAVQVOCH-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(CC(=O)N(C)C)C1 ZINC001380568615 922393118 /nfs/dbraw/zinc/39/31/18/922393118.db2.gz VPPUJHZEMGQFHB-HNNXBMFYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380559425 922393339 /nfs/dbraw/zinc/39/33/39/922393339.db2.gz YBCGVRWTZJQMFS-ZWNOBZJWSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380559420 922393428 /nfs/dbraw/zinc/39/34/28/922393428.db2.gz YBCGVRWTZJQMFS-GWCFXTLKSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001380565015 922393717 /nfs/dbraw/zinc/39/37/17/922393717.db2.gz FPMSNWBDIBFWHI-BXUZGUMPSA-N 1 1 309.370 -1.429 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001380569275 922394928 /nfs/dbraw/zinc/39/49/28/922394928.db2.gz JZEXUJAREWQWTH-LLVKDONJSA-N 1 1 315.370 -1.068 20 0 DAADMO Cc1nn(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c(=O)n1C ZINC001380572816 922395618 /nfs/dbraw/zinc/39/56/18/922395618.db2.gz OGGNGQORULOOST-CYBMUJFWSA-N 1 1 313.358 -2.564 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)cn1 ZINC001380574329 922396630 /nfs/dbraw/zinc/39/66/30/922396630.db2.gz RNNHCDQUANSPDD-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO Cc1nn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c(=O)n1C ZINC001380572817 922396803 /nfs/dbraw/zinc/39/68/03/922396803.db2.gz OGGNGQORULOOST-ZDUSSCGKSA-N 1 1 313.358 -2.564 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)[C@H]1CCCS1(=O)=O ZINC001380574524 922396991 /nfs/dbraw/zinc/39/69/91/922396991.db2.gz QIVVWPWQVCEZAI-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCCS1(=O)=O ZINC001380574524 922397006 /nfs/dbraw/zinc/39/70/06/922397006.db2.gz QIVVWPWQVCEZAI-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)[C@@H]1CCCS1(=O)=O ZINC001380574525 922397032 /nfs/dbraw/zinc/39/70/32/922397032.db2.gz QIVVWPWQVCEZAI-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCCS1(=O)=O ZINC001380574525 922397046 /nfs/dbraw/zinc/39/70/46/922397046.db2.gz QIVVWPWQVCEZAI-WCQYABFASA-N 1 1 320.411 -1.501 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577391 922399629 /nfs/dbraw/zinc/39/96/29/922399629.db2.gz JLLXWUJNRSMLIH-STQMWFEESA-N 1 1 313.398 -1.484 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380581777 922402822 /nfs/dbraw/zinc/40/28/22/922402822.db2.gz POVDGEWBUJYLHV-DGCLKSJQSA-N 1 1 324.425 -1.089 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 ZINC001380582309 922404057 /nfs/dbraw/zinc/40/40/57/922404057.db2.gz TURCEGWZDWASAD-LLVKDONJSA-N 1 1 319.427 -1.712 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001380595304 922409800 /nfs/dbraw/zinc/40/98/00/922409800.db2.gz YDOUJCKMRPZXEB-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001380599517 922411131 /nfs/dbraw/zinc/41/11/31/922411131.db2.gz KUJZINTZYLTTJZ-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001380599513 922412175 /nfs/dbraw/zinc/41/21/75/922412175.db2.gz KUJZINTZYLTTJZ-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001380603046 922414294 /nfs/dbraw/zinc/41/42/94/922414294.db2.gz QIDDBHZLERTJDC-UHFFFAOYSA-N 1 1 323.401 -1.643 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(CCn2cncn2)C1)C1CCC1 ZINC001380602303 922414328 /nfs/dbraw/zinc/41/43/28/922414328.db2.gz MQHYHIAUVPVUJR-UHFFFAOYSA-N 1 1 322.413 -1.075 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001380607570 922416961 /nfs/dbraw/zinc/41/69/61/922416961.db2.gz TXTASOQLBHVCRU-NSHDSACASA-N 1 1 307.354 -1.062 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001380611574 922418320 /nfs/dbraw/zinc/41/83/20/922418320.db2.gz DNDXLXYLNPPYBY-ZDUSSCGKSA-N 1 1 322.413 -1.217 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001380615551 922419271 /nfs/dbraw/zinc/41/92/71/922419271.db2.gz QCSZROWBFFJVCB-NEPJUHHUSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cnn(C)n3)C2)C1 ZINC001380618909 922420091 /nfs/dbraw/zinc/42/00/91/922420091.db2.gz YWWGQEOWKBNHGU-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001380619696 922422380 /nfs/dbraw/zinc/42/23/80/922422380.db2.gz WEBWIIWLVFJKII-RWMBFGLXSA-N 1 1 324.425 -1.232 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC1(O)C[NH+](CC2CC2)C1)C(N)=O ZINC001380623895 922422531 /nfs/dbraw/zinc/42/25/31/922422531.db2.gz WMXQCUSOUAAGSQ-NSHDSACASA-N 1 1 312.370 -2.061 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)CCc3cnc[nH]3)C2)n1 ZINC001380629373 922424959 /nfs/dbraw/zinc/42/49/59/922424959.db2.gz YHKVHBALRKDHMN-UHFFFAOYSA-N 1 1 320.357 -1.771 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001380632819 922428916 /nfs/dbraw/zinc/42/89/16/922428916.db2.gz KDKVCOQAHWABGY-UHFFFAOYSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001380642982 922430217 /nfs/dbraw/zinc/43/02/17/922430217.db2.gz OLUSNFTZPHHQBI-NSHDSACASA-N 1 1 308.386 -1.570 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001380643923 922430253 /nfs/dbraw/zinc/43/02/53/922430253.db2.gz PJOFYXCPPOKSCF-UHFFFAOYSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380644385 922430272 /nfs/dbraw/zinc/43/02/72/922430272.db2.gz YNSNLPVEGKIBDC-NEPJUHHUSA-N 1 1 324.425 -1.232 20 0 DAADMO CC(C)NC(=O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380643033 922430708 /nfs/dbraw/zinc/43/07/08/922430708.db2.gz PJICGWSOXOIBGX-LBPRGKRZSA-N 1 1 312.414 -1.374 20 0 DAADMO NC(=O)c1cc(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)c[nH]1 ZINC001380644556 922431307 /nfs/dbraw/zinc/43/13/07/922431307.db2.gz YUCOVXPJUGRFDQ-SNVBAGLBSA-N 1 1 322.365 -1.073 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380644389 922431982 /nfs/dbraw/zinc/43/19/82/922431982.db2.gz YNSNLPVEGKIBDC-NWDGAFQWSA-N 1 1 324.425 -1.232 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001380644702 922432143 /nfs/dbraw/zinc/43/21/43/922432143.db2.gz TUPQCBTWISMAMC-LLVKDONJSA-N 1 1 323.401 -1.785 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001380680869 922436320 /nfs/dbraw/zinc/43/63/20/922436320.db2.gz MYTBQFFYVAOEAO-ZJUUUORDSA-N 1 1 322.369 -1.169 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001380702296 922437670 /nfs/dbraw/zinc/43/76/70/922437670.db2.gz DMJQIRFUQKAZLG-BBBLOLIVSA-N 1 1 320.353 -1.003 20 0 DAADMO CC[C@@H](OC)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001380698550 922437991 /nfs/dbraw/zinc/43/79/91/922437991.db2.gz ALQFGHWZDAOIOW-OUAUKWLOSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664881 922438041 /nfs/dbraw/zinc/43/80/41/922438041.db2.gz UNUBAIDMCWALNP-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664881 922438047 /nfs/dbraw/zinc/43/80/47/922438047.db2.gz UNUBAIDMCWALNP-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001380687634 922438113 /nfs/dbraw/zinc/43/81/13/922438113.db2.gz XLZFUXNVDWVCSZ-JQWIXIFHSA-N 1 1 323.401 -1.128 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C1 ZINC001380704111 922440239 /nfs/dbraw/zinc/44/02/39/922440239.db2.gz CNLJURKXCIZNBI-UTUOFQBUSA-N 1 1 319.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001380706272 922440343 /nfs/dbraw/zinc/44/03/43/922440343.db2.gz XMZXAHPZPHJWIQ-TUAOUCFPSA-N 1 1 309.370 -1.174 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001380704260 922441613 /nfs/dbraw/zinc/44/16/13/922441613.db2.gz MPQCNEZBVPNAJL-TUAOUCFPSA-N 1 1 322.365 -1.219 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736493 922444060 /nfs/dbraw/zinc/44/40/60/922444060.db2.gz XJXHHHNOBJJCHF-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001380734077 922444231 /nfs/dbraw/zinc/44/42/31/922444231.db2.gz NSWVBSKQEABYGE-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001380737555 922445154 /nfs/dbraw/zinc/44/51/54/922445154.db2.gz QCXPWIUHLXFZAI-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2COCCO2)C1 ZINC001380727893 922445189 /nfs/dbraw/zinc/44/51/89/922445189.db2.gz BXKPQFRGSSSONA-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001380744440 922447336 /nfs/dbraw/zinc/44/73/36/922447336.db2.gz UMIRHBGXUVYGDX-WFASDCNBSA-N 1 1 312.414 -1.101 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001380741769 922447978 /nfs/dbraw/zinc/44/79/78/922447978.db2.gz NSPNCNFYAXLXTE-GXFFZTMASA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CNC(N)=O ZINC001380741301 922448048 /nfs/dbraw/zinc/44/80/48/922448048.db2.gz DOLUUWMBKZLVFZ-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCCN(CC(N)=O)C1 ZINC001380744423 922448919 /nfs/dbraw/zinc/44/89/19/922448919.db2.gz UMIRHBGXUVYGDX-SWLSCSKDSA-N 1 1 312.414 -1.101 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001380759556 922451920 /nfs/dbraw/zinc/45/19/20/922451920.db2.gz BPYINQZMNXPKJS-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001380759556 922451926 /nfs/dbraw/zinc/45/19/26/922451926.db2.gz BPYINQZMNXPKJS-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCOC1)c1nnnn1C ZINC001380770499 922454924 /nfs/dbraw/zinc/45/49/24/922454924.db2.gz WBDQTDOKNHNAOM-WDEREUQCSA-N 1 1 312.374 -1.282 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1COCCN1CCCO ZINC001380833745 922464620 /nfs/dbraw/zinc/46/46/20/922464620.db2.gz SIOJQXHGUOWWNX-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001380904028 922470289 /nfs/dbraw/zinc/47/02/89/922470289.db2.gz OUBZSYDPWYSJAK-GWCFXTLKSA-N 1 1 324.385 -1.343 20 0 DAADMO CC(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001380905512 922471008 /nfs/dbraw/zinc/47/10/08/922471008.db2.gz VFRPNZWNVXDTML-NSHDSACASA-N 1 1 312.374 -1.048 20 0 DAADMO CC(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001380905511 922472225 /nfs/dbraw/zinc/47/22/25/922472225.db2.gz VFRPNZWNVXDTML-LLVKDONJSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001380908549 922473632 /nfs/dbraw/zinc/47/36/32/922473632.db2.gz AFWCZNROGPRVCP-ONGXEEELSA-N 1 1 311.342 -1.102 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001380908547 922474418 /nfs/dbraw/zinc/47/44/18/922474418.db2.gz AFWCZNROGPRVCP-KOLCDFICSA-N 1 1 311.342 -1.102 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001380913779 922475348 /nfs/dbraw/zinc/47/53/48/922475348.db2.gz JSVQXLRIHNONBA-SNVBAGLBSA-N 1 1 310.358 -1.320 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380928993 922476406 /nfs/dbraw/zinc/47/64/06/922476406.db2.gz DHIGYDXAGOMYLF-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)N1CC[C@H]([NH+]2CCN([C@@H](C)C(=O)NC(N)=O)CC2)C1 ZINC001380918156 922476483 /nfs/dbraw/zinc/47/64/83/922476483.db2.gz PLCOJYNUNHZOFX-JQWIXIFHSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CCCC(N)=O)CCO2)n1 ZINC001380920430 922476827 /nfs/dbraw/zinc/47/68/27/922476827.db2.gz RQRQHEQDHKCXKH-GFCCVEGCSA-N 1 1 324.385 -1.212 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)CCCC(N)=O)CCO2)n1 ZINC001380920434 922478252 /nfs/dbraw/zinc/47/82/52/922478252.db2.gz RQRQHEQDHKCXKH-LBPRGKRZSA-N 1 1 324.385 -1.212 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001380972530 922484445 /nfs/dbraw/zinc/48/44/45/922484445.db2.gz SDISACGRUXRXDY-UHFFFAOYSA-N 1 1 300.403 -1.467 20 0 DAADMO CCNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001380995657 922486199 /nfs/dbraw/zinc/48/61/99/922486199.db2.gz VFLSFTAOHJGERE-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001381055877 922492860 /nfs/dbraw/zinc/49/28/60/922492860.db2.gz PQAFOUSSDKCWEZ-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381055877 922492877 /nfs/dbraw/zinc/49/28/77/922492877.db2.gz PQAFOUSSDKCWEZ-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001381055889 922494835 /nfs/dbraw/zinc/49/48/35/922494835.db2.gz PQAFOUSSDKCWEZ-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381055889 922494851 /nfs/dbraw/zinc/49/48/51/922494851.db2.gz PQAFOUSSDKCWEZ-WFASDCNBSA-N 1 1 312.414 -1.373 20 0 DAADMO CC[C@H]([NH2+]CC1(NC(=O)Cc2nnc[nH]2)CCOCC1)C(N)=O ZINC001381064283 922496872 /nfs/dbraw/zinc/49/68/72/922496872.db2.gz BJQJZNVYWPFSHG-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)C1 ZINC001381082019 922497748 /nfs/dbraw/zinc/49/77/48/922497748.db2.gz UKAFMMRZTOVBEY-LBPRGKRZSA-N 1 1 319.427 -1.494 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)C1 ZINC001381082019 922497759 /nfs/dbraw/zinc/49/77/59/922497759.db2.gz UKAFMMRZTOVBEY-LBPRGKRZSA-N 1 1 319.427 -1.494 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001381144589 922505262 /nfs/dbraw/zinc/50/52/62/922505262.db2.gz PNJKSLHPXYVYMK-CQSZACIVSA-N 1 1 323.397 -1.141 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001381210346 922510231 /nfs/dbraw/zinc/51/02/31/922510231.db2.gz UATORQAXZLUNOT-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCCO1 ZINC001381237661 922510292 /nfs/dbraw/zinc/51/02/92/922510292.db2.gz TYMMKKSTUVSWHF-NWDGAFQWSA-N 1 1 311.382 -1.003 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 ZINC001381248045 922513890 /nfs/dbraw/zinc/51/38/90/922513890.db2.gz XTNZLUGABBMBQZ-SNVBAGLBSA-N 1 1 309.370 -1.231 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001381241308 922515853 /nfs/dbraw/zinc/51/58/53/922515853.db2.gz IFFDQQYXJJRKET-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnns2)CC1 ZINC001381242399 922516519 /nfs/dbraw/zinc/51/65/19/922516519.db2.gz RSBPEFDTAUFPPK-QMMMGPOBSA-N 1 1 313.383 -1.031 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001381313656 922517986 /nfs/dbraw/zinc/51/79/86/922517986.db2.gz DFTSUTKYVXKVGQ-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001381295015 922518386 /nfs/dbraw/zinc/51/83/86/922518386.db2.gz MRJYBXCBWALUDY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001381295015 922518396 /nfs/dbraw/zinc/51/83/96/922518396.db2.gz MRJYBXCBWALUDY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001381294585 922518485 /nfs/dbraw/zinc/51/84/85/922518485.db2.gz FCSIINXHTPIFCY-DTWKUNHWSA-N 1 1 323.357 -1.076 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001381304138 922518581 /nfs/dbraw/zinc/51/85/81/922518581.db2.gz OTYUAGPGUCBRHM-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001381304138 922518587 /nfs/dbraw/zinc/51/85/87/922518587.db2.gz OTYUAGPGUCBRHM-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001381313659 922518780 /nfs/dbraw/zinc/51/87/80/922518780.db2.gz DFTSUTKYVXKVGQ-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2ncnn2)nn1 ZINC001381388168 922524203 /nfs/dbraw/zinc/52/42/03/922524203.db2.gz YFQJVGIIOIGVHD-VHSXEESVSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001381412427 922526910 /nfs/dbraw/zinc/52/69/10/922526910.db2.gz BBNVRIICAYVATF-SFYZADRCSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001381447864 922527503 /nfs/dbraw/zinc/52/75/03/922527503.db2.gz VCZZTKVVOCXCKP-BDAKNGLRSA-N 1 1 324.341 -1.006 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001381406720 922528443 /nfs/dbraw/zinc/52/84/43/922528443.db2.gz WVNIEFKNEZGFHV-IUCAKERBSA-N 1 1 323.357 -1.044 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1CCCC1=O ZINC001381518977 922529310 /nfs/dbraw/zinc/52/93/10/922529310.db2.gz SIHBIICQJOEBJS-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001381517702 922529628 /nfs/dbraw/zinc/52/96/28/922529628.db2.gz OFMIXKWVPPPQQN-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001381517702 922529634 /nfs/dbraw/zinc/52/96/34/922529634.db2.gz OFMIXKWVPPPQQN-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001381511718 922531289 /nfs/dbraw/zinc/53/12/89/922531289.db2.gz ABLVJSQOKMFHHW-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001381511718 922531303 /nfs/dbraw/zinc/53/13/03/922531303.db2.gz ABLVJSQOKMFHHW-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001381601529 922537809 /nfs/dbraw/zinc/53/78/09/922537809.db2.gz LZEWVTGVOUVOBQ-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001381601529 922537820 /nfs/dbraw/zinc/53/78/20/922537820.db2.gz LZEWVTGVOUVOBQ-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001381632496 922538484 /nfs/dbraw/zinc/53/84/84/922538484.db2.gz BLFKUCWAWFVEKE-OLZOCXBDSA-N 1 1 314.382 -1.009 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001381620350 922540192 /nfs/dbraw/zinc/54/01/92/922540192.db2.gz HABPLMSDHRUGBR-MRVPVSSYSA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001381620350 922540202 /nfs/dbraw/zinc/54/02/02/922540202.db2.gz HABPLMSDHRUGBR-MRVPVSSYSA-N 1 1 310.358 -1.108 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001381632500 922540679 /nfs/dbraw/zinc/54/06/79/922540679.db2.gz BLFKUCWAWFVEKE-STQMWFEESA-N 1 1 314.382 -1.009 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381641556 922543071 /nfs/dbraw/zinc/54/30/71/922543071.db2.gz FTWGIZGWYZHHQH-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381641556 922543079 /nfs/dbraw/zinc/54/30/79/922543079.db2.gz FTWGIZGWYZHHQH-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO Cn1cc(CN2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001381653127 922543345 /nfs/dbraw/zinc/54/33/45/922543345.db2.gz YKPPQGIPBUNOAO-CYBMUJFWSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)CCc2cnc[nH]2)C1 ZINC001381662756 922544392 /nfs/dbraw/zinc/54/43/92/922544392.db2.gz KXLVVTRTCVVQED-JTQLQIEISA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001381692096 922549346 /nfs/dbraw/zinc/54/93/46/922549346.db2.gz OZEUCMIGKWFELS-LLVKDONJSA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381780333 922554485 /nfs/dbraw/zinc/55/44/85/922554485.db2.gz QVZGGLPBPTWYSC-SNVBAGLBSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCn2cnccc2=O)C1 ZINC001381812643 922556046 /nfs/dbraw/zinc/55/60/46/922556046.db2.gz MWEQBXOBPLSFEB-WDEREUQCSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381813703 922557596 /nfs/dbraw/zinc/55/75/96/922557596.db2.gz OTMAYJZGNZQQHB-JQWIXIFHSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001381838030 922558178 /nfs/dbraw/zinc/55/81/78/922558178.db2.gz INJYGIGLHYPVMG-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001381874005 922560573 /nfs/dbraw/zinc/56/05/73/922560573.db2.gz VVGXRSAKZZRQNG-XWLWVQCSSA-N 1 1 312.370 -1.100 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC001381852375 922561221 /nfs/dbraw/zinc/56/12/21/922561221.db2.gz YAIAOSJKFLXLDK-VHSXEESVSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC001381852375 922561233 /nfs/dbraw/zinc/56/12/33/922561233.db2.gz YAIAOSJKFLXLDK-VHSXEESVSA-N 1 1 313.402 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001381873969 922561552 /nfs/dbraw/zinc/56/15/52/922561552.db2.gz VVGXRSAKZZRQNG-DBIOUOCHSA-N 1 1 312.370 -1.100 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001381866513 922562229 /nfs/dbraw/zinc/56/22/29/922562229.db2.gz BIWDTDQGRGGLGF-UWVGGRQHSA-N 1 1 307.416 -1.257 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001381887850 922563171 /nfs/dbraw/zinc/56/31/71/922563171.db2.gz WWULDRGKLPTHBO-ZDEQEGDKSA-N 1 1 313.398 -1.186 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001381885524 922563255 /nfs/dbraw/zinc/56/32/55/922563255.db2.gz NHEWCTRMSZDVRA-FIQHERPVSA-N 1 1 315.370 -1.356 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c1=O ZINC001381889329 922563476 /nfs/dbraw/zinc/56/34/76/922563476.db2.gz HLBCYWQYFPWRKM-CNDDSTCGSA-N 1 1 309.370 -1.742 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001381885644 922563648 /nfs/dbraw/zinc/56/36/48/922563648.db2.gz AHNSODKVATVQGP-CNDDSTCGSA-N 1 1 306.370 -1.292 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC001381881698 922564532 /nfs/dbraw/zinc/56/45/32/922564532.db2.gz NYWZAMOLXVPXHE-KKOKHZNYSA-N 1 1 324.381 -1.098 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001381906621 922566698 /nfs/dbraw/zinc/56/66/98/922566698.db2.gz UXPXFKGYECFKDI-HKWIRBFKSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001381906621 922566704 /nfs/dbraw/zinc/56/67/04/922566704.db2.gz UXPXFKGYECFKDI-HKWIRBFKSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001381906621 922566715 /nfs/dbraw/zinc/56/67/15/922566715.db2.gz UXPXFKGYECFKDI-HKWIRBFKSA-N 1 1 306.370 -1.095 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001381919760 922566752 /nfs/dbraw/zinc/56/67/52/922566752.db2.gz RDQLKTCYKVMLRL-WISYIIOYSA-N 1 1 323.397 -1.560 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001381912361 922566812 /nfs/dbraw/zinc/56/68/12/922566812.db2.gz ZVBNSXUOXIEMLG-OWUUHHOZSA-N 1 1 308.379 -1.696 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001381904519 922566841 /nfs/dbraw/zinc/56/68/41/922566841.db2.gz JAPFARIXPKJDQD-RTCCRHLQSA-N 1 1 322.369 -2.249 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001381927900 922567044 /nfs/dbraw/zinc/56/70/44/922567044.db2.gz ZYOGOIVTGSUMJB-RTCCRHLQSA-N 1 1 321.385 -1.356 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cnn(C)n2)C1 ZINC001381928823 922567235 /nfs/dbraw/zinc/56/72/35/922567235.db2.gz TWMVLLYYXBQBNP-GXFFZTMASA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928380 922567436 /nfs/dbraw/zinc/56/74/36/922567436.db2.gz KWOQEWZNGWMMSO-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928380 922567446 /nfs/dbraw/zinc/56/74/46/922567446.db2.gz KWOQEWZNGWMMSO-MWLCHTKSSA-N 1 1 311.342 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001381923801 922567558 /nfs/dbraw/zinc/56/75/58/922567558.db2.gz UZCJWQULUCZOPN-RTCCRHLQSA-N 1 1 319.365 -1.186 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001381936333 922569553 /nfs/dbraw/zinc/56/95/53/922569553.db2.gz ZVYQFKJSQDQVRT-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001381929063 922569758 /nfs/dbraw/zinc/56/97/58/922569758.db2.gz ISFOSNBPIGDNQW-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001381929063 922569768 /nfs/dbraw/zinc/56/97/68/922569768.db2.gz ISFOSNBPIGDNQW-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001381995531 922576826 /nfs/dbraw/zinc/57/68/26/922576826.db2.gz QKPJHDQQQXWKKU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001382014923 922576904 /nfs/dbraw/zinc/57/69/04/922576904.db2.gz BJLFICRMXKFQJY-GFCCVEGCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001382061527 922579139 /nfs/dbraw/zinc/57/91/39/922579139.db2.gz DRDZWZDLCDDYDM-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066610 922579683 /nfs/dbraw/zinc/57/96/83/922579683.db2.gz XHPYNQVDDODNFH-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066610 922579695 /nfs/dbraw/zinc/57/96/95/922579695.db2.gz XHPYNQVDDODNFH-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066615 922579931 /nfs/dbraw/zinc/57/99/31/922579931.db2.gz XHPYNQVDDODNFH-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066615 922579947 /nfs/dbraw/zinc/57/99/47/922579947.db2.gz XHPYNQVDDODNFH-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1nnnn1C ZINC001382053356 922580723 /nfs/dbraw/zinc/58/07/23/922580723.db2.gz DPLYABLBBVQSAX-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001382093228 922582307 /nfs/dbraw/zinc/58/23/07/922582307.db2.gz QQISUXYOJNLVAI-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001382097845 922584508 /nfs/dbraw/zinc/58/45/08/922584508.db2.gz YQBFNLIENQPARX-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001382123281 922586574 /nfs/dbraw/zinc/58/65/74/922586574.db2.gz OEQVUTZFGIMDMJ-ZMLRMANQSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001382135771 922586976 /nfs/dbraw/zinc/58/69/76/922586976.db2.gz GBTYFHQTVAAHST-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001382137444 922588067 /nfs/dbraw/zinc/58/80/67/922588067.db2.gz XRICAPVHBMRCAA-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCCCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001382176852 922593133 /nfs/dbraw/zinc/59/31/33/922593133.db2.gz LLBQRWUDQILGCB-LLVKDONJSA-N 1 1 314.386 -1.798 20 0 DAADMO CCCCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001382176854 922593963 /nfs/dbraw/zinc/59/39/63/922593963.db2.gz LLBQRWUDQILGCB-NSHDSACASA-N 1 1 314.386 -1.798 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001382186793 922600065 /nfs/dbraw/zinc/60/00/65/922600065.db2.gz GLSHMZIRBDRBOD-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001382187611 922601974 /nfs/dbraw/zinc/60/19/74/922601974.db2.gz IPFRWKQEJFUHFR-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001382192742 922604610 /nfs/dbraw/zinc/60/46/10/922604610.db2.gz XDMJGAMEWGSUNT-WDEREUQCSA-N 1 1 324.337 -1.235 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001382189253 922604952 /nfs/dbraw/zinc/60/49/52/922604952.db2.gz NKXOQCSGLKUMEU-QMMMGPOBSA-N 1 1 307.397 -1.246 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001382191929 922605188 /nfs/dbraw/zinc/60/51/88/922605188.db2.gz RRTSMSXRBBXYLG-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1[nH]nc(C)c1C ZINC001382197566 922606350 /nfs/dbraw/zinc/60/63/50/922606350.db2.gz VSKCEOSTWFODSJ-WDEREUQCSA-N 1 1 300.359 -1.286 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@@H]1CCNC(=O)C1 ZINC001382194706 922607009 /nfs/dbraw/zinc/60/70/09/922607009.db2.gz CGJVDVSIXKRUEB-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001382196885 922607688 /nfs/dbraw/zinc/60/76/88/922607688.db2.gz UPRVGHLRRYBMOY-VXGBXAGGSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001382196885 922607700 /nfs/dbraw/zinc/60/77/00/922607700.db2.gz UPRVGHLRRYBMOY-VXGBXAGGSA-N 1 1 309.370 -1.626 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@H]1CCNC(=O)C1 ZINC001382194690 922608987 /nfs/dbraw/zinc/60/89/87/922608987.db2.gz CGJVDVSIXKRUEB-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382198399 922610744 /nfs/dbraw/zinc/61/07/44/922610744.db2.gz XJVPGJKRZBPATA-NSHDSACASA-N 1 1 307.358 -1.170 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC)CC[N@@H+]1C ZINC001382209961 922619210 /nfs/dbraw/zinc/61/92/10/922619210.db2.gz MUZQIECEOPPCOP-SDDRHHMPSA-N 1 1 300.403 -1.471 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC)CC[N@H+]1C ZINC001382209961 922619218 /nfs/dbraw/zinc/61/92/18/922619218.db2.gz MUZQIECEOPPCOP-SDDRHHMPSA-N 1 1 300.403 -1.471 20 0 DAADMO CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001382216236 922625200 /nfs/dbraw/zinc/62/52/00/922625200.db2.gz RMTSXGSRSUKQJA-MNOVXSKESA-N 1 1 300.403 -1.328 20 0 DAADMO CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216236 922625203 /nfs/dbraw/zinc/62/52/03/922625203.db2.gz RMTSXGSRSUKQJA-MNOVXSKESA-N 1 1 300.403 -1.328 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001382218916 922625216 /nfs/dbraw/zinc/62/52/16/922625216.db2.gz UXJBVHUSHSRRIF-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncn(C)c2=O)on1 ZINC001382216794 922625365 /nfs/dbraw/zinc/62/53/65/922625365.db2.gz UZKCEKGMFFQEQD-SNVBAGLBSA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001382222805 922628376 /nfs/dbraw/zinc/62/83/76/922628376.db2.gz UAYBYZRKVIFNDK-NSHDSACASA-N 1 1 306.330 -1.962 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001382222799 922629069 /nfs/dbraw/zinc/62/90/69/922629069.db2.gz UAYBYZRKVIFNDK-LLVKDONJSA-N 1 1 306.330 -1.962 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)nn1C ZINC001382231943 922631502 /nfs/dbraw/zinc/63/15/02/922631502.db2.gz CEFPWTARXAGEMP-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001382233231 922631825 /nfs/dbraw/zinc/63/18/25/922631825.db2.gz GNORFLMQVSPTKG-JTQLQIEISA-N 1 1 306.326 -1.616 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001382232373 922632272 /nfs/dbraw/zinc/63/22/72/922632272.db2.gz CGVPGAOADYIYJY-VXGBXAGGSA-N 1 1 314.430 -1.128 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2coc(C(N)=O)c2)n1 ZINC001382229268 922632579 /nfs/dbraw/zinc/63/25/79/922632579.db2.gz GFRCZFJYKXNKIH-NSHDSACASA-N 1 1 321.337 -1.008 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)o1 ZINC001382234631 922634561 /nfs/dbraw/zinc/63/45/61/922634561.db2.gz JGOYPKLDNZAMOP-SECBINFHSA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)o1 ZINC001382234916 922635633 /nfs/dbraw/zinc/63/56/33/922635633.db2.gz LAYRYOOALQJMAE-ZJUUUORDSA-N 1 1 311.342 -1.460 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001382236718 922635698 /nfs/dbraw/zinc/63/56/98/922635698.db2.gz OZUODOKQIRIRFJ-AVGNSLFASA-N 1 1 314.430 -1.128 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001382236718 922635702 /nfs/dbraw/zinc/63/57/02/922635702.db2.gz OZUODOKQIRIRFJ-AVGNSLFASA-N 1 1 314.430 -1.128 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382241220 922636499 /nfs/dbraw/zinc/63/64/99/922636499.db2.gz CAYMLWBUNHGFFM-MXWKQRLJSA-N 1 1 324.385 -1.705 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2cn(C)nn2)C1 ZINC001382244684 922637599 /nfs/dbraw/zinc/63/75/99/922637599.db2.gz HAVXSNNISPOZNY-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001382250288 922641845 /nfs/dbraw/zinc/64/18/45/922641845.db2.gz KRPXAJXHLHCTDW-DTWKUNHWSA-N 1 1 302.331 -2.187 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)CCn1cnnn1)c1cnccn1 ZINC001382256429 922643208 /nfs/dbraw/zinc/64/32/08/922643208.db2.gz UAVWKPIPMYRYFE-MNOVXSKESA-N 1 1 320.357 -1.319 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001382261993 922648523 /nfs/dbraw/zinc/64/85/23/922648523.db2.gz XNQUZYLPDIPYFY-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001382261993 922648536 /nfs/dbraw/zinc/64/85/36/922648536.db2.gz XNQUZYLPDIPYFY-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001382266818 922651469 /nfs/dbraw/zinc/65/14/69/922651469.db2.gz VETOXWKTPVJVPW-CYBMUJFWSA-N 1 1 314.430 -1.081 20 0 DAADMO O=C(NC[C@H](CO)N[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001382268237 922652733 /nfs/dbraw/zinc/65/27/33/922652733.db2.gz UFFBIKHUNCWIFM-NEPJUHHUSA-N 1 1 310.398 -1.573 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382266703 922653580 /nfs/dbraw/zinc/65/35/80/922653580.db2.gz MGOODYQIENMHPF-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382266703 922653592 /nfs/dbraw/zinc/65/35/92/922653592.db2.gz MGOODYQIENMHPF-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270823 922654895 /nfs/dbraw/zinc/65/48/95/922654895.db2.gz CSYOLPQUSPDGTL-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270823 922654906 /nfs/dbraw/zinc/65/49/06/922654906.db2.gz CSYOLPQUSPDGTL-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO CCN(CC)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382270809 922656000 /nfs/dbraw/zinc/65/60/00/922656000.db2.gz DRPYYXARJKLTQM-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(CC)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382270809 922656016 /nfs/dbraw/zinc/65/60/16/922656016.db2.gz DRPYYXARJKLTQM-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271031 922656395 /nfs/dbraw/zinc/65/63/95/922656395.db2.gz DXZUFKKBAOMBTC-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271031 922656403 /nfs/dbraw/zinc/65/64/03/922656403.db2.gz DXZUFKKBAOMBTC-AAEUAGOBSA-N 1 1 322.365 -1.381 20 0 DAADMO CCn1ncc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382274912 922658828 /nfs/dbraw/zinc/65/88/28/922658828.db2.gz QHULOYBRSKEAHO-AAEUAGOBSA-N 1 1 310.402 -1.184 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001382277916 922660725 /nfs/dbraw/zinc/66/07/25/922660725.db2.gz WCMAPNRUZBRBRQ-VXGBXAGGSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275823 922662032 /nfs/dbraw/zinc/66/20/32/922662032.db2.gz UGDKXPXKXUPEBX-CHWSQXEVSA-N 1 1 312.414 -1.469 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275823 922662040 /nfs/dbraw/zinc/66/20/40/922662040.db2.gz UGDKXPXKXUPEBX-CHWSQXEVSA-N 1 1 312.414 -1.469 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001382277190 922663313 /nfs/dbraw/zinc/66/33/13/922663313.db2.gz ZYCNVHHREXZXJJ-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)nn1C ZINC001382284330 922669602 /nfs/dbraw/zinc/66/96/02/922669602.db2.gz OAFUSPJMQGFODL-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCNC(N)=O ZINC001382303535 922675005 /nfs/dbraw/zinc/67/50/05/922675005.db2.gz MTFCVTPPQKSVCZ-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001382301997 922675895 /nfs/dbraw/zinc/67/58/95/922675895.db2.gz MKQYKYPTXPXXQM-UWVGGRQHSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCNC(N)=O ZINC001382313021 922682118 /nfs/dbraw/zinc/68/21/18/922682118.db2.gz JGDRHZFJYXYXRP-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001382312308 922682240 /nfs/dbraw/zinc/68/22/40/922682240.db2.gz PSYDSAQGOLIAQN-PWSUYJOCSA-N 1 1 309.370 -1.421 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001382326874 922687487 /nfs/dbraw/zinc/68/74/87/922687487.db2.gz FREAFMCVXMKOQT-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001382336927 922689330 /nfs/dbraw/zinc/68/93/30/922689330.db2.gz LZHYJQJPEDOQTC-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001382336927 922689345 /nfs/dbraw/zinc/68/93/45/922689345.db2.gz LZHYJQJPEDOQTC-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001382357633 922694786 /nfs/dbraw/zinc/69/47/86/922694786.db2.gz LQDRGBDURYSIQD-MNOVXSKESA-N 1 1 309.374 -1.279 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1ccnn1C ZINC001382350393 922695703 /nfs/dbraw/zinc/69/57/03/922695703.db2.gz UTJGTLOOVBOIPT-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001382357642 922695765 /nfs/dbraw/zinc/69/57/65/922695765.db2.gz LQDRGBDURYSIQD-WDEREUQCSA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001382367966 922696997 /nfs/dbraw/zinc/69/69/97/922696997.db2.gz KBMIEGSLNGXULX-ONGXEEELSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001382373520 922699816 /nfs/dbraw/zinc/69/98/16/922699816.db2.gz AMXXEYPXSBEXSK-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001382373520 922699825 /nfs/dbraw/zinc/69/98/25/922699825.db2.gz AMXXEYPXSBEXSK-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1cncnc1 ZINC001382370031 922700917 /nfs/dbraw/zinc/70/09/17/922700917.db2.gz PYFSJLRPTLSDFF-QWHCGFSZSA-N 1 1 321.381 -1.293 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370438 922701332 /nfs/dbraw/zinc/70/13/32/922701332.db2.gz KLYLORJROBNCLW-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370438 922701344 /nfs/dbraw/zinc/70/13/44/922701344.db2.gz KLYLORJROBNCLW-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CCn1cncn1 ZINC001382380460 922707815 /nfs/dbraw/zinc/70/78/15/922707815.db2.gz AKJKQFODTZKERI-GFCCVEGCSA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccncc1 ZINC001382378578 922708359 /nfs/dbraw/zinc/70/83/59/922708359.db2.gz WHJWIUCNAZPGGK-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccnn1C ZINC001382382354 922708415 /nfs/dbraw/zinc/70/84/15/922708415.db2.gz BFRPFDLFNCESQV-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1ncoc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382381140 922708618 /nfs/dbraw/zinc/70/86/18/922708618.db2.gz HUWXCARBIZBJNZ-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCNC2=O)n[nH]1 ZINC001382385253 922709399 /nfs/dbraw/zinc/70/93/99/922709399.db2.gz HAVNIUJUJRFYCT-GHMZBOCLSA-N 1 1 309.370 -1.117 20 0 DAADMO CCc1nc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001382385958 922709860 /nfs/dbraw/zinc/70/98/60/922709860.db2.gz LRFMPYLTMPBRBX-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001382385356 922709981 /nfs/dbraw/zinc/70/99/81/922709981.db2.gz BFGHYYANTIKJGZ-NXEZZACHSA-N 1 1 300.363 -1.284 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382385008 922710137 /nfs/dbraw/zinc/71/01/37/922710137.db2.gz GTISNVZWMRWLRQ-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001382385009 922711533 /nfs/dbraw/zinc/71/15/33/922711533.db2.gz GTISNVZWMRWLRQ-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001382390412 922713387 /nfs/dbraw/zinc/71/33/87/922713387.db2.gz QUZMBALLPRMNQT-MRVPVSSYSA-N 1 1 312.330 -2.112 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnn(C)c1 ZINC001382390876 922714102 /nfs/dbraw/zinc/71/41/02/922714102.db2.gz RCKHVVZZHSYARC-LBPRGKRZSA-N 1 1 321.385 -1.300 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)o1 ZINC001382395932 922716730 /nfs/dbraw/zinc/71/67/30/922716730.db2.gz YIEIGCWLCAPNCF-UWVGGRQHSA-N 1 1 313.358 -1.051 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)n1 ZINC001382395563 922717453 /nfs/dbraw/zinc/71/74/53/922717453.db2.gz QQYPOMRKQGXDQQ-LLVKDONJSA-N 1 1 320.357 -1.619 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1COC(=O)N1 ZINC001382392674 922717474 /nfs/dbraw/zinc/71/74/74/922717474.db2.gz MIANEZPWGAGEQB-NXEZZACHSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1COC(=O)N1 ZINC001382392699 922717831 /nfs/dbraw/zinc/71/78/31/922717831.db2.gz MIANEZPWGAGEQB-VHSXEESVSA-N 1 1 312.330 -2.168 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001382396140 922718168 /nfs/dbraw/zinc/71/81/68/922718168.db2.gz YVOWKHYSWDPVSU-GHMZBOCLSA-N 1 1 323.353 -1.198 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)cn1 ZINC001382397780 922720284 /nfs/dbraw/zinc/72/02/84/922720284.db2.gz LNBJDFYHCMJQMP-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)nc1 ZINC001382400891 922722336 /nfs/dbraw/zinc/72/23/36/922722336.db2.gz MQQZPYCBXUXOEL-NSHDSACASA-N 1 1 320.357 -1.619 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001382410260 922728745 /nfs/dbraw/zinc/72/87/45/922728745.db2.gz AXEMMQDRCXYGJD-ZJUUUORDSA-N 1 1 311.346 -2.595 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001382413109 922733056 /nfs/dbraw/zinc/73/30/56/922733056.db2.gz DVAKKWVBPWADQB-NXEZZACHSA-N 1 1 312.374 -1.765 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccon1 ZINC001382412596 922733086 /nfs/dbraw/zinc/73/30/86/922733086.db2.gz ONQHLKHYVKCIQW-NSHDSACASA-N 1 1 313.358 -1.097 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382421223 922737054 /nfs/dbraw/zinc/73/70/54/922737054.db2.gz UOCSSCONGGYEQB-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001382418807 922737710 /nfs/dbraw/zinc/73/77/10/922737710.db2.gz OXJRPPLAYZBJQP-KOLCDFICSA-N 1 1 324.385 -1.197 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001382418808 922738611 /nfs/dbraw/zinc/73/86/11/922738611.db2.gz OXJRPPLAYZBJQP-MWLCHTKSSA-N 1 1 324.385 -1.197 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@]1(C)CCOC1 ZINC001382422253 922739904 /nfs/dbraw/zinc/73/99/04/922739904.db2.gz BLXCVIAJTXRCRW-MFKMUULPSA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001382424127 922740287 /nfs/dbraw/zinc/74/02/87/922740287.db2.gz JMTIGQMAJJEFBO-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001382424127 922740300 /nfs/dbraw/zinc/74/03/00/922740300.db2.gz JMTIGQMAJJEFBO-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001382422844 922741922 /nfs/dbraw/zinc/74/19/22/922741922.db2.gz XVNDHYPCLXWUJZ-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccnnc1 ZINC001382427545 922743470 /nfs/dbraw/zinc/74/34/70/922743470.db2.gz VDHIDNWQQUEGRE-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1cnoc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382428447 922744508 /nfs/dbraw/zinc/74/45/08/922744508.db2.gz TXJGACXSSPPEAQ-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@H]1CCC(=O)N1 ZINC001382432211 922748362 /nfs/dbraw/zinc/74/83/62/922748362.db2.gz RIYIZDAECMZALU-ZYHUDNBSSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001382429592 922748857 /nfs/dbraw/zinc/74/88/57/922748857.db2.gz YCGOIWKVKROHCC-JTQLQIEISA-N 1 1 309.330 -1.096 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001382432208 922748942 /nfs/dbraw/zinc/74/89/42/922748942.db2.gz RIYIZDAECMZALU-CMPLNLGQSA-N 1 1 324.385 -1.607 20 0 DAADMO Cn1ccc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382439166 922750663 /nfs/dbraw/zinc/75/06/63/922750663.db2.gz FCYBGZPVLWZDFJ-AAEUAGOBSA-N 1 1 323.397 -1.492 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382439188 922751575 /nfs/dbraw/zinc/75/15/75/922751575.db2.gz FCYBGZPVLWZDFJ-WCQYABFASA-N 1 1 323.397 -1.492 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001382439177 922751914 /nfs/dbraw/zinc/75/19/14/922751914.db2.gz FCYBGZPVLWZDFJ-DGCLKSJQSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnn2)C1 ZINC001382438135 922753518 /nfs/dbraw/zinc/75/35/18/922753518.db2.gz DQWKRFNFBFMNAU-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382440922 922756397 /nfs/dbraw/zinc/75/63/97/922756397.db2.gz PCNLUWJBSBMZTM-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001382443149 922756522 /nfs/dbraw/zinc/75/65/22/922756522.db2.gz CVFVVWQITQUIEY-ZJUUUORDSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001382443149 922756535 /nfs/dbraw/zinc/75/65/35/922756535.db2.gz CVFVVWQITQUIEY-ZJUUUORDSA-N 1 1 318.374 -1.772 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccccn1 ZINC001382442495 922756707 /nfs/dbraw/zinc/75/67/07/922756707.db2.gz RNSVDZMGRIXNEC-JTQLQIEISA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccccn1 ZINC001382442495 922756712 /nfs/dbraw/zinc/75/67/12/922756712.db2.gz RNSVDZMGRIXNEC-JTQLQIEISA-N 1 1 323.353 -1.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001382443142 922756944 /nfs/dbraw/zinc/75/69/44/922756944.db2.gz CVFVVWQITQUIEY-UWVGGRQHSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001382443142 922756957 /nfs/dbraw/zinc/75/69/57/922756957.db2.gz CVFVVWQITQUIEY-UWVGGRQHSA-N 1 1 318.374 -1.772 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2csnn2)C1 ZINC001382441080 922757038 /nfs/dbraw/zinc/75/70/38/922757038.db2.gz QJRDYIQGLDAMDR-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccccn1 ZINC001382442497 922757265 /nfs/dbraw/zinc/75/72/65/922757265.db2.gz RNSVDZMGRIXNEC-SNVBAGLBSA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccccn1 ZINC001382442497 922757281 /nfs/dbraw/zinc/75/72/81/922757281.db2.gz RNSVDZMGRIXNEC-SNVBAGLBSA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1cnnn1 ZINC001382445360 922757693 /nfs/dbraw/zinc/75/76/93/922757693.db2.gz XALZLFGPOHDCEW-GFCCVEGCSA-N 1 1 322.373 -1.679 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001382447436 922757885 /nfs/dbraw/zinc/75/78/85/922757885.db2.gz RQWPTHCUTJHVFZ-VXGBXAGGSA-N 1 1 316.402 -1.202 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001382444840 922758022 /nfs/dbraw/zinc/75/80/22/922758022.db2.gz XSZWPAYTXOMXME-KOLCDFICSA-N 1 1 323.353 -1.659 20 0 DAADMO CN(C[C@H](O)CNCc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382444902 922758462 /nfs/dbraw/zinc/75/84/62/922758462.db2.gz POGFGDJYENUZOE-DGCLKSJQSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)CNCc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382444902 922758471 /nfs/dbraw/zinc/75/84/71/922758471.db2.gz POGFGDJYENUZOE-DGCLKSJQSA-N 1 1 310.402 -1.324 20 0 DAADMO COCC1(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001382444192 922760016 /nfs/dbraw/zinc/76/00/16/922760016.db2.gz VZMFVJKFZHCBSJ-NWDGAFQWSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cnccn1 ZINC001382444810 922760306 /nfs/dbraw/zinc/76/03/06/922760306.db2.gz XHCHMIRZNMEXEH-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001382444728 922760446 /nfs/dbraw/zinc/76/04/46/922760446.db2.gz VVIUGIDVLJNNAX-WDEREUQCSA-N 1 1 315.370 -1.110 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001382450977 922761436 /nfs/dbraw/zinc/76/14/36/922761436.db2.gz NQTOIETYTOWVGZ-SNVBAGLBSA-N 1 1 302.375 -1.990 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001382450977 922761451 /nfs/dbraw/zinc/76/14/51/922761451.db2.gz NQTOIETYTOWVGZ-SNVBAGLBSA-N 1 1 302.375 -1.990 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1ncnn1 ZINC001382452443 922762136 /nfs/dbraw/zinc/76/21/36/922762136.db2.gz DIAPGXOPAXNLLK-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001382448055 922762462 /nfs/dbraw/zinc/76/24/62/922762462.db2.gz URVNRHOVFNCVIK-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001382448055 922762473 /nfs/dbraw/zinc/76/24/73/922762473.db2.gz URVNRHOVFNCVIK-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001382448058 922763886 /nfs/dbraw/zinc/76/38/86/922763886.db2.gz URVNRHOVFNCVIK-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001382448058 922763896 /nfs/dbraw/zinc/76/38/96/922763896.db2.gz URVNRHOVFNCVIK-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382458949 922764871 /nfs/dbraw/zinc/76/48/71/922764871.db2.gz QTWVJAYCHFJIIY-BDAKNGLRSA-N 1 1 302.331 -2.408 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382458949 922764882 /nfs/dbraw/zinc/76/48/82/922764882.db2.gz QTWVJAYCHFJIIY-BDAKNGLRSA-N 1 1 302.331 -2.408 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001382459109 922764917 /nfs/dbraw/zinc/76/49/17/922764917.db2.gz FZUOZSQBMOXJRK-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001382459109 922764926 /nfs/dbraw/zinc/76/49/26/922764926.db2.gz FZUOZSQBMOXJRK-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2[nH]cnc2c1 ZINC001382461464 922766380 /nfs/dbraw/zinc/76/63/80/922766380.db2.gz OHLPAAAILPLYGA-SNVBAGLBSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2[nH]cnc2c1 ZINC001382461464 922766393 /nfs/dbraw/zinc/76/63/93/922766393.db2.gz OHLPAAAILPLYGA-SNVBAGLBSA-N 1 1 320.353 -1.192 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001382460301 922766952 /nfs/dbraw/zinc/76/69/52/922766952.db2.gz JGPZZBKLIMNRGK-GFCCVEGCSA-N 1 1 317.386 -1.757 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001382462262 922768759 /nfs/dbraw/zinc/76/87/59/922768759.db2.gz UZQVZBITQYLNQL-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001382462262 922768769 /nfs/dbraw/zinc/76/87/69/922768769.db2.gz UZQVZBITQYLNQL-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382464719 922768923 /nfs/dbraw/zinc/76/89/23/922768923.db2.gz CDSUTXIBMASBOI-VXGBXAGGSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCn2ccnc2C1 ZINC001382464405 922769663 /nfs/dbraw/zinc/76/96/63/922769663.db2.gz AWQJWSRUUDZFFD-RYUDHWBXSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCn2ccnc2C1 ZINC001382464405 922769677 /nfs/dbraw/zinc/76/96/77/922769677.db2.gz AWQJWSRUUDZFFD-RYUDHWBXSA-N 1 1 323.397 -1.318 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001382462292 922769834 /nfs/dbraw/zinc/76/98/34/922769834.db2.gz UZQVZBITQYLNQL-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001382462292 922769847 /nfs/dbraw/zinc/76/98/47/922769847.db2.gz UZQVZBITQYLNQL-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1ccncn1 ZINC001382464530 922770252 /nfs/dbraw/zinc/77/02/52/922770252.db2.gz SOBHWTKZBUMITD-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1ccncn1 ZINC001382464530 922770263 /nfs/dbraw/zinc/77/02/63/922770263.db2.gz SOBHWTKZBUMITD-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001382466103 922770442 /nfs/dbraw/zinc/77/04/42/922770442.db2.gz FHEJPNYBBCASIS-ZJUUUORDSA-N 1 1 316.358 -2.282 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001382463662 922770541 /nfs/dbraw/zinc/77/05/41/922770541.db2.gz QNFVWNMHASYOTC-ZYHUDNBSSA-N 1 1 322.369 -1.130 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c(=O)[nH]c1C ZINC001382464966 922771098 /nfs/dbraw/zinc/77/10/98/922771098.db2.gz URGUQZSHAGXGKT-LLVKDONJSA-N 1 1 312.370 -1.256 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001382462662 922771342 /nfs/dbraw/zinc/77/13/42/922771342.db2.gz FQKTWPHQPJJAFY-GRYCIOLGSA-N 1 1 301.387 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001382462366 922771453 /nfs/dbraw/zinc/77/14/53/922771453.db2.gz VKYCHFMDUXNWKX-GFCCVEGCSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001382462366 922771463 /nfs/dbraw/zinc/77/14/63/922771463.db2.gz VKYCHFMDUXNWKX-GFCCVEGCSA-N 1 1 309.370 -1.071 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001382466131 922771566 /nfs/dbraw/zinc/77/15/66/922771566.db2.gz FLELQGBFTPGCKJ-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001382470239 922772072 /nfs/dbraw/zinc/77/20/72/922772072.db2.gz URAOQKDIBWSIQY-VHSXEESVSA-N 1 1 312.370 -1.141 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001382469316 922772395 /nfs/dbraw/zinc/77/23/95/922772395.db2.gz AGTYLVZQRFBVFN-ZJUUUORDSA-N 1 1 300.363 -1.390 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001382472408 922772514 /nfs/dbraw/zinc/77/25/14/922772514.db2.gz KIFGQABNQLOFHZ-CHWSQXEVSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ncc[nH]1 ZINC001382473137 922772766 /nfs/dbraw/zinc/77/27/66/922772766.db2.gz NEPSEMBOXNNRQE-NEPJUHHUSA-N 1 1 323.397 -1.066 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001382472937 922772810 /nfs/dbraw/zinc/77/28/10/922772810.db2.gz UAFNEBITXWMFKR-NEPJUHHUSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001382472937 922772821 /nfs/dbraw/zinc/77/28/21/922772821.db2.gz UAFNEBITXWMFKR-NEPJUHHUSA-N 1 1 311.386 -1.184 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468383 922773154 /nfs/dbraw/zinc/77/31/54/922773154.db2.gz HCNTXZGHOVYQIG-PWSUYJOCSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468383 922773159 /nfs/dbraw/zinc/77/31/59/922773159.db2.gz HCNTXZGHOVYQIG-PWSUYJOCSA-N 1 1 324.381 -1.376 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001382469942 922773210 /nfs/dbraw/zinc/77/32/10/922773210.db2.gz JXMYIZSZYQRUGC-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001382469942 922773220 /nfs/dbraw/zinc/77/32/20/922773220.db2.gz JXMYIZSZYQRUGC-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)c1nnn(C)n1 ZINC001382470279 922773343 /nfs/dbraw/zinc/77/33/43/922773343.db2.gz BRZSIAWDBOAMSK-LLVKDONJSA-N 1 1 322.373 -1.492 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001382472938 922774243 /nfs/dbraw/zinc/77/42/43/922774243.db2.gz UAFNEBITXWMFKR-NWDGAFQWSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001382472938 922774252 /nfs/dbraw/zinc/77/42/52/922774252.db2.gz UAFNEBITXWMFKR-NWDGAFQWSA-N 1 1 311.386 -1.184 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cc(C(N)=O)ccn1 ZINC001382469379 922774294 /nfs/dbraw/zinc/77/42/94/922774294.db2.gz HEPLPYGXHWDZCP-NSHDSACASA-N 1 1 310.354 -1.463 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001382471648 922774611 /nfs/dbraw/zinc/77/46/11/922774611.db2.gz QYGCQVXNKPDVLP-UWVGGRQHSA-N 1 1 300.359 -1.254 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2cccnn21 ZINC001382471955 922774882 /nfs/dbraw/zinc/77/48/82/922774882.db2.gz OIVVCRFHDIWAAK-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2cccnn21 ZINC001382471955 922774894 /nfs/dbraw/zinc/77/48/94/922774894.db2.gz OIVVCRFHDIWAAK-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001382467454 922774948 /nfs/dbraw/zinc/77/49/48/922774948.db2.gz HBLGGLXWFCNBGI-LLVKDONJSA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001382467454 922774960 /nfs/dbraw/zinc/77/49/60/922774960.db2.gz HBLGGLXWFCNBGI-LLVKDONJSA-N 1 1 310.354 -1.765 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc2ncccn2n1 ZINC001382468080 922775016 /nfs/dbraw/zinc/77/50/16/922775016.db2.gz FOPWHPXDSQJRJT-GHMZBOCLSA-N 1 1 322.369 -1.130 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001382472410 922775031 /nfs/dbraw/zinc/77/50/31/922775031.db2.gz KIFGQABNQLOFHZ-OLZOCXBDSA-N 1 1 315.414 -1.012 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc2ncccn2n1 ZINC001382468084 922775333 /nfs/dbraw/zinc/77/53/33/922775333.db2.gz FOPWHPXDSQJRJT-QWRGUYRKSA-N 1 1 322.369 -1.130 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCC(=O)NC1 ZINC001382476092 922775891 /nfs/dbraw/zinc/77/58/91/922775891.db2.gz VIHHLPUTFKFNMW-NWDGAFQWSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001382475826 922777895 /nfs/dbraw/zinc/77/78/95/922777895.db2.gz UPKKISZCPGDSJS-QWRGUYRKSA-N 1 1 307.354 -1.270 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001382477468 922778925 /nfs/dbraw/zinc/77/89/25/922778925.db2.gz HMVQCTBDZSLCML-QMMMGPOBSA-N 1 1 310.376 -3.228 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001382477468 922778941 /nfs/dbraw/zinc/77/89/41/922778941.db2.gz HMVQCTBDZSLCML-QMMMGPOBSA-N 1 1 310.376 -3.228 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382477144 922779298 /nfs/dbraw/zinc/77/92/98/922779298.db2.gz XOWCEXDOXVODHE-NSHDSACASA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382477144 922779310 /nfs/dbraw/zinc/77/93/10/922779310.db2.gz XOWCEXDOXVODHE-NSHDSACASA-N 1 1 311.386 -1.209 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)CCC1 ZINC001382480499 922779927 /nfs/dbraw/zinc/77/99/27/922779927.db2.gz MJUHRFSIEWQMHL-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)CCC1 ZINC001382480499 922779941 /nfs/dbraw/zinc/77/99/41/922779941.db2.gz MJUHRFSIEWQMHL-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O ZINC001382479975 922780834 /nfs/dbraw/zinc/78/08/34/922780834.db2.gz LGGLONKTFFVCJS-SECBINFHSA-N 1 1 303.363 -2.412 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382478931 922781087 /nfs/dbraw/zinc/78/10/87/922781087.db2.gz JXGYPRZQPYKXPX-NWDGAFQWSA-N 1 1 314.386 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479410 922781300 /nfs/dbraw/zinc/78/13/00/922781300.db2.gz UWJLSTCXFZZJAZ-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479410 922781311 /nfs/dbraw/zinc/78/13/11/922781311.db2.gz UWJLSTCXFZZJAZ-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479408 922781392 /nfs/dbraw/zinc/78/13/92/922781392.db2.gz UWJLSTCXFZZJAZ-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479408 922781409 /nfs/dbraw/zinc/78/14/09/922781409.db2.gz UWJLSTCXFZZJAZ-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382479004 922782338 /nfs/dbraw/zinc/78/23/38/922782338.db2.gz TVRKIHWHJRIERJ-VHSXEESVSA-N 1 1 315.374 -2.540 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382479000 922782727 /nfs/dbraw/zinc/78/27/27/922782727.db2.gz TVRKIHWHJRIERJ-UWVGGRQHSA-N 1 1 315.374 -2.540 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001382484807 922783806 /nfs/dbraw/zinc/78/38/06/922783806.db2.gz SZDGMOIGEUMFBV-JTQLQIEISA-N 1 1 311.404 -2.379 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382485108 922783970 /nfs/dbraw/zinc/78/39/70/922783970.db2.gz YRSJPGVPQGORDN-UTUOFQBUSA-N 1 1 317.386 -1.977 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1nccnc1C(N)=O ZINC001382485912 922784344 /nfs/dbraw/zinc/78/43/44/922784344.db2.gz ZAJAOMLQNQVUFQ-SECBINFHSA-N 1 1 311.342 -2.068 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001382484839 922784379 /nfs/dbraw/zinc/78/43/79/922784379.db2.gz SZDGMOIGEUMFBV-SNVBAGLBSA-N 1 1 311.404 -2.379 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001382483866 922784911 /nfs/dbraw/zinc/78/49/11/922784911.db2.gz YEYRBFMQVCVSDA-VIFPVBQESA-N 1 1 316.337 -1.902 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001382483866 922784922 /nfs/dbraw/zinc/78/49/22/922784922.db2.gz YEYRBFMQVCVSDA-VIFPVBQESA-N 1 1 316.337 -1.902 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1)C1CCC1 ZINC001382496867 922786684 /nfs/dbraw/zinc/78/66/84/922786684.db2.gz SFMDXTBKUOVJHN-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001382496867 922786700 /nfs/dbraw/zinc/78/67/00/922786700.db2.gz SFMDXTBKUOVJHN-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001382496867 922786713 /nfs/dbraw/zinc/78/67/13/922786713.db2.gz SFMDXTBKUOVJHN-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382512940 922789560 /nfs/dbraw/zinc/78/95/60/922789560.db2.gz YPIKSQVYLWFJOW-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cn1cnnn1 ZINC001382524369 922792089 /nfs/dbraw/zinc/79/20/89/922792089.db2.gz LMGIDZKESPGIKL-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ccnnc1 ZINC001382517702 922792575 /nfs/dbraw/zinc/79/25/75/922792575.db2.gz DKFUQLADXFJRCK-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1csnn1 ZINC001382530850 922795919 /nfs/dbraw/zinc/79/59/19/922795919.db2.gz URYQPFMSNWDMOS-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001382527485 922795998 /nfs/dbraw/zinc/79/59/98/922795998.db2.gz UAAXULFPCFSLKI-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001382548312 922803143 /nfs/dbraw/zinc/80/31/43/922803143.db2.gz IJKTXBZQZANXLL-WDEREUQCSA-N 1 1 313.354 -1.438 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001382585482 922815946 /nfs/dbraw/zinc/81/59/46/922815946.db2.gz VXIFDSFIKOKLQE-VHSXEESVSA-N 1 1 311.342 -1.239 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CC(CNC(=O)CNC(N)=O)C2)C1 ZINC001382669788 922830835 /nfs/dbraw/zinc/83/08/35/922830835.db2.gz YURFEULUODDCDT-YVNMAJEFSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382893704 922840139 /nfs/dbraw/zinc/84/01/39/922840139.db2.gz KIRXTPOIFQWBMN-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001382902094 922843037 /nfs/dbraw/zinc/84/30/37/922843037.db2.gz CMFLRZSZSCOODU-CHWSQXEVSA-N 1 1 311.386 -1.231 20 0 DAADMO CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001382902095 922844484 /nfs/dbraw/zinc/84/44/84/922844484.db2.gz CMFLRZSZSCOODU-OLZOCXBDSA-N 1 1 311.386 -1.231 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001382895754 922844757 /nfs/dbraw/zinc/84/47/57/922844757.db2.gz SYJHPMXAOPDZMA-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382958039 922853834 /nfs/dbraw/zinc/85/38/34/922853834.db2.gz VYPNBLXJDJKBGH-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382958039 922853854 /nfs/dbraw/zinc/85/38/54/922853854.db2.gz VYPNBLXJDJKBGH-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382952805 922855343 /nfs/dbraw/zinc/85/53/43/922855343.db2.gz LMEPRPNRGJVIRU-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382962635 922857223 /nfs/dbraw/zinc/85/72/23/922857223.db2.gz VSEMUPJMTKQZGK-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1ncn(C)n1 ZINC001382988570 922862123 /nfs/dbraw/zinc/86/21/23/922862123.db2.gz PIPYEFQWQWXIEJ-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)c1cn[nH]n1 ZINC001383026516 922869489 /nfs/dbraw/zinc/86/94/89/922869489.db2.gz XHXAOLWJVCGWLM-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001383150703 922893064 /nfs/dbraw/zinc/89/30/64/922893064.db2.gz VLTFXVGUHMJBGP-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001383724748 922917137 /nfs/dbraw/zinc/91/71/37/922917137.db2.gz XZWCQHIBSMMTOI-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001383729082 922917990 /nfs/dbraw/zinc/91/79/90/922917990.db2.gz DQTRISLMUBTOOM-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383724064 922919204 /nfs/dbraw/zinc/91/92/04/922919204.db2.gz GCNVLTPMZWUJRA-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383724705 922919372 /nfs/dbraw/zinc/91/93/72/922919372.db2.gz KGAVJYBFLBAUQX-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383805703 922923287 /nfs/dbraw/zinc/92/32/87/922923287.db2.gz RAKZXMMCVMTOQS-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383805705 922924986 /nfs/dbraw/zinc/92/49/86/922924986.db2.gz RAKZXMMCVMTOQS-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C2CCOCC2)C1 ZINC001383856519 922933424 /nfs/dbraw/zinc/93/34/24/922933424.db2.gz VPZZFVKLELEWQD-CHWSQXEVSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001383867464 922939929 /nfs/dbraw/zinc/93/99/29/922939929.db2.gz SKFAOFSBOZILMO-WDEREUQCSA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001383867459 922941229 /nfs/dbraw/zinc/94/12/29/922941229.db2.gz SKFAOFSBOZILMO-GHMZBOCLSA-N 1 1 313.354 -1.438 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383869525 922943539 /nfs/dbraw/zinc/94/35/39/922943539.db2.gz XTEBOSXRCHYLRS-VXGBXAGGSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383872852 922943582 /nfs/dbraw/zinc/94/35/82/922943582.db2.gz IQTULAQGFSQLJX-NWDGAFQWSA-N 1 1 314.386 -1.990 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC001383874516 922946236 /nfs/dbraw/zinc/94/62/36/922946236.db2.gz CVLYQGFISQHYRD-JTQLQIEISA-N 1 1 318.374 -1.724 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cccn1 ZINC001383881339 922951642 /nfs/dbraw/zinc/95/16/42/922951642.db2.gz ZNNZLPZSXYMSIX-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CC1(O)CCC1 ZINC001383888341 922956429 /nfs/dbraw/zinc/95/64/29/922956429.db2.gz CBQIYSXZDZEALI-NEPJUHHUSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383889373 922956780 /nfs/dbraw/zinc/95/67/80/922956780.db2.gz MSWKKRMUZLCDGL-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383889373 922956789 /nfs/dbraw/zinc/95/67/89/922956789.db2.gz MSWKKRMUZLCDGL-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887536 922957394 /nfs/dbraw/zinc/95/73/94/922957394.db2.gz HIJCEVBGNWSBOE-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887536 922957400 /nfs/dbraw/zinc/95/74/00/922957400.db2.gz HIJCEVBGNWSBOE-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cnnn1 ZINC001383889926 922957728 /nfs/dbraw/zinc/95/77/28/922957728.db2.gz GAIYIQSWRVHVIV-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1ccnc1 ZINC001383890696 922959378 /nfs/dbraw/zinc/95/93/78/922959378.db2.gz HWXXQYHFTKMFJP-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001383890768 922960660 /nfs/dbraw/zinc/96/06/60/922960660.db2.gz IJKTXBZQZANXLL-MNOVXSKESA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896522 922963186 /nfs/dbraw/zinc/96/31/86/922963186.db2.gz MYAXKRJAGXMNLN-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896522 922963197 /nfs/dbraw/zinc/96/31/97/922963197.db2.gz MYAXKRJAGXMNLN-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896529 922963271 /nfs/dbraw/zinc/96/32/71/922963271.db2.gz MYAXKRJAGXMNLN-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896529 922963285 /nfs/dbraw/zinc/96/32/85/922963285.db2.gz MYAXKRJAGXMNLN-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001383897393 922963671 /nfs/dbraw/zinc/96/36/71/922963671.db2.gz UQDIATDZSNXUSD-MWLCHTKSSA-N 1 1 324.385 -1.697 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383899863 922965889 /nfs/dbraw/zinc/96/58/89/922965889.db2.gz LAZZNSRZGLBQCH-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383899863 922965899 /nfs/dbraw/zinc/96/58/99/922965899.db2.gz LAZZNSRZGLBQCH-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C ZINC001383901153 922965953 /nfs/dbraw/zinc/96/59/53/922965953.db2.gz YWXOGDHJGWTJPE-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001383905254 922968891 /nfs/dbraw/zinc/96/88/91/922968891.db2.gz CDVAVERWUQWHSA-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)COCC2CC2)C1 ZINC001383922866 922976958 /nfs/dbraw/zinc/97/69/58/922976958.db2.gz CERQGVOHCPHCDT-OLZOCXBDSA-N 1 1 313.398 -1.042 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001383925455 922979640 /nfs/dbraw/zinc/97/96/40/922979640.db2.gz KKPFFWOSBWECDD-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)n1 ZINC001383925424 922980048 /nfs/dbraw/zinc/98/00/48/922980048.db2.gz KEXUDXZHPCUEAF-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001383938571 922986135 /nfs/dbraw/zinc/98/61/35/922986135.db2.gz FYHVSVOBZPSIIO-JTQLQIEISA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn1cccn1)C1CCC1 ZINC001383946212 922988351 /nfs/dbraw/zinc/98/83/51/922988351.db2.gz WRISTKFFBVCLSQ-GFCCVEGCSA-N 1 1 323.397 -1.039 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001383957088 922990004 /nfs/dbraw/zinc/99/00/04/922990004.db2.gz IADFCDMQEHZASV-VIFPVBQESA-N 1 1 314.342 -1.411 20 0 DAADMO CC1CC[NH+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001383960864 922992860 /nfs/dbraw/zinc/99/28/60/922992860.db2.gz LMPDSDGJCBPXHQ-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001383967135 922995501 /nfs/dbraw/zinc/99/55/01/922995501.db2.gz FFFCSVUIEAKCAL-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CNC(N)=O ZINC001383964356 922996972 /nfs/dbraw/zinc/99/69/72/922996972.db2.gz PNHGZXPOTDPCBO-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O ZINC001383964360 922997182 /nfs/dbraw/zinc/99/71/82/922997182.db2.gz PNHGZXPOTDPCBO-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1 ZINC001383971702 922998773 /nfs/dbraw/zinc/99/87/73/922998773.db2.gz VHAICYXFVLMIAL-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)n1 ZINC001383982007 923003706 /nfs/dbraw/zinc/00/37/06/923003706.db2.gz NUEBQQCYQRJPBZ-VIFPVBQESA-N 1 1 313.362 -2.241 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383980780 923004918 /nfs/dbraw/zinc/00/49/18/923004918.db2.gz IFFLXWYZAIIGBI-VXGBXAGGSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383983640 923006078 /nfs/dbraw/zinc/00/60/78/923006078.db2.gz WBFCTQNCRDESLT-PWSUYJOCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001383988850 923011115 /nfs/dbraw/zinc/01/11/15/923011115.db2.gz YVHCUPHFJKAKJO-OUAUKWLOSA-N 1 1 312.370 -2.048 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001383993849 923015453 /nfs/dbraw/zinc/01/54/53/923015453.db2.gz QJCFPFLIDSKFLZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993849 923015469 /nfs/dbraw/zinc/01/54/69/923015469.db2.gz QJCFPFLIDSKFLZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993849 923015486 /nfs/dbraw/zinc/01/54/86/923015486.db2.gz QJCFPFLIDSKFLZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993849 923015502 /nfs/dbraw/zinc/01/55/02/923015502.db2.gz QJCFPFLIDSKFLZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993849 923015517 /nfs/dbraw/zinc/01/55/17/923015517.db2.gz QJCFPFLIDSKFLZ-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384006917 923021426 /nfs/dbraw/zinc/02/14/26/923021426.db2.gz FHZRDNPZJTUMBM-VHSXEESVSA-N 1 1 324.341 -2.534 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001384008100 923021741 /nfs/dbraw/zinc/02/17/41/923021741.db2.gz HGBUVKBABXFLRB-VHSXEESVSA-N 1 1 324.341 -2.534 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384006910 923022447 /nfs/dbraw/zinc/02/24/47/923022447.db2.gz FHZRDNPZJTUMBM-UWVGGRQHSA-N 1 1 324.341 -2.534 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001384011084 923024112 /nfs/dbraw/zinc/02/41/12/923024112.db2.gz OFFFJNDXFNCGOI-NXEZZACHSA-N 1 1 315.374 -2.317 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1ncccn1 ZINC001384019995 923028399 /nfs/dbraw/zinc/02/83/99/923028399.db2.gz UBXKIPNXUKXWLE-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1 ZINC001384021583 923028681 /nfs/dbraw/zinc/02/86/81/923028681.db2.gz MMAZIZWVEDIDET-GFCCVEGCSA-N 1 1 311.386 -1.031 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001384021482 923029085 /nfs/dbraw/zinc/02/90/85/923029085.db2.gz LUEBIIQJXKHQQL-ZOWXZIJZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001384033292 923034610 /nfs/dbraw/zinc/03/46/10/923034610.db2.gz YXCYBNPDFFFTIZ-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001384058852 923038915 /nfs/dbraw/zinc/03/89/15/923038915.db2.gz ZALTXRWEACJNNI-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058852 923038926 /nfs/dbraw/zinc/03/89/26/923038926.db2.gz ZALTXRWEACJNNI-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058852 923038945 /nfs/dbraw/zinc/03/89/45/923038945.db2.gz ZALTXRWEACJNNI-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001384058849 923039583 /nfs/dbraw/zinc/03/95/83/923039583.db2.gz ZALTXRWEACJNNI-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058849 923039598 /nfs/dbraw/zinc/03/95/98/923039598.db2.gz ZALTXRWEACJNNI-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058849 923039620 /nfs/dbraw/zinc/03/96/20/923039620.db2.gz ZALTXRWEACJNNI-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384176176 923047075 /nfs/dbraw/zinc/04/70/75/923047075.db2.gz IAENRKQGGDERAM-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384176194 923048161 /nfs/dbraw/zinc/04/81/61/923048161.db2.gz IAENRKQGGDERAM-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cn(C)nn1 ZINC001384221730 923063151 /nfs/dbraw/zinc/06/31/51/923063151.db2.gz FOWKSHAGNFRSAZ-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228770 923067974 /nfs/dbraw/zinc/06/79/74/923067974.db2.gz ZGKNWBDRPLGCES-QWHCGFSZSA-N 1 1 323.397 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001384235828 923070559 /nfs/dbraw/zinc/07/05/59/923070559.db2.gz NCNTZSFVDGJLPS-MNOVXSKESA-N 1 1 324.385 -1.245 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001384250938 923078220 /nfs/dbraw/zinc/07/82/20/923078220.db2.gz ALNGXMQDFKZYIQ-SNVBAGLBSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001384262334 923082585 /nfs/dbraw/zinc/08/25/85/923082585.db2.gz UBRORMULLPGKJN-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001384719641 923101736 /nfs/dbraw/zinc/10/17/36/923101736.db2.gz WYZSQAFAKKPVJR-OPRDCNLKSA-N 1 1 313.358 -2.563 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001384731814 923105303 /nfs/dbraw/zinc/10/53/03/923105303.db2.gz JSDSKXXVMDCCFO-IJLUTSLNSA-N 1 1 312.370 -2.095 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001385117590 923145855 /nfs/dbraw/zinc/14/58/55/923145855.db2.gz UARUUGXQJHEMRI-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001385148960 923150520 /nfs/dbraw/zinc/15/05/20/923150520.db2.gz BYMBYVNAXWTPFS-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001385218436 923157128 /nfs/dbraw/zinc/15/71/28/923157128.db2.gz LCXILWRRCRPIGQ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001385532281 923175285 /nfs/dbraw/zinc/17/52/85/923175285.db2.gz RJEPKIWHGCTRSA-UHFFFAOYSA-N 1 1 323.401 -1.370 20 0 DAADMO CCC(=O)NCCN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001385512961 923177198 /nfs/dbraw/zinc/17/71/98/923177198.db2.gz TXGQXSSKYCZWHH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC(=O)NCCN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001385512961 923177204 /nfs/dbraw/zinc/17/72/04/923177204.db2.gz TXGQXSSKYCZWHH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385574727 923181572 /nfs/dbraw/zinc/18/15/72/923181572.db2.gz UDEGNBRWTDCVAM-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001385582265 923183141 /nfs/dbraw/zinc/18/31/41/923183141.db2.gz UCMGHRVAFBBDLZ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001385654680 923191731 /nfs/dbraw/zinc/19/17/31/923191731.db2.gz HCDBESIZFBYRRY-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NC(=O)CNC(N)=O)C2CC2)C1 ZINC001385731181 923200267 /nfs/dbraw/zinc/20/02/67/923200267.db2.gz VQWUKANYKSDMGS-GHMZBOCLSA-N 1 1 311.386 -1.383 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NC(=O)CNC(N)=O)C2CC2)C1 ZINC001385731212 923200797 /nfs/dbraw/zinc/20/07/97/923200797.db2.gz VQWUKANYKSDMGS-WDEREUQCSA-N 1 1 311.386 -1.383 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001385845964 923209797 /nfs/dbraw/zinc/20/97/97/923209797.db2.gz PWJHAPOYLAOFIX-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001385930862 923214968 /nfs/dbraw/zinc/21/49/68/923214968.db2.gz HZSHZIYKOIKVRN-GHMZBOCLSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385935828 923217845 /nfs/dbraw/zinc/21/78/45/923217845.db2.gz QGCMBFFHTWHGJG-VLEAKVRGSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001386001689 923219636 /nfs/dbraw/zinc/21/96/36/923219636.db2.gz QGCMBFFHTWHGJG-XWLWVQCSSA-N 1 1 311.386 -1.242 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001386005227 923220327 /nfs/dbraw/zinc/22/03/27/923220327.db2.gz CIXQTYQITOZIIA-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001386060478 923225493 /nfs/dbraw/zinc/22/54/93/923225493.db2.gz NBGJJOCBWGHJHX-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001386104525 923228114 /nfs/dbraw/zinc/22/81/14/923228114.db2.gz LZGIVOCTQFFVBK-JYAVWHMHSA-N 1 1 319.365 -1.099 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001386151404 923233649 /nfs/dbraw/zinc/23/36/49/923233649.db2.gz QZGVCYRDWLYZFN-DCAQKATOSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001386227959 923244662 /nfs/dbraw/zinc/24/46/62/923244662.db2.gz DRKGDDKRSVPTLQ-NXEZZACHSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001386279323 923251390 /nfs/dbraw/zinc/25/13/90/923251390.db2.gz VMIXZWXIOLHRHJ-UWVGGRQHSA-N 1 1 305.400 -1.396 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001386309178 923255615 /nfs/dbraw/zinc/25/56/15/923255615.db2.gz YFWGMJMDAJBPSV-SECBINFHSA-N 1 1 310.358 -1.259 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001386339330 923257731 /nfs/dbraw/zinc/25/77/31/923257731.db2.gz RIMRDVMAXRTKOR-AXFHLTTASA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001386560162 923281475 /nfs/dbraw/zinc/28/14/75/923281475.db2.gz LPMGRMNTBXGXNG-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001386644154 923289664 /nfs/dbraw/zinc/28/96/64/923289664.db2.gz CPYHZWLRODJYAU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CCNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386653843 923291683 /nfs/dbraw/zinc/29/16/83/923291683.db2.gz OCRSOTYWMALAKF-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)c1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386681216 923297404 /nfs/dbraw/zinc/29/74/04/923297404.db2.gz HBRFRPVHYAMRCO-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386681216 923297423 /nfs/dbraw/zinc/29/74/23/923297423.db2.gz HBRFRPVHYAMRCO-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703814 923298680 /nfs/dbraw/zinc/29/86/80/923298680.db2.gz IIWUIXQWTKDAFR-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccc(=O)[nH]n1 ZINC001386703814 923298701 /nfs/dbraw/zinc/29/87/01/923298701.db2.gz IIWUIXQWTKDAFR-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704470 923299594 /nfs/dbraw/zinc/29/95/94/923299594.db2.gz PAPANFRLFDRHKE-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1 ZINC001386704470 923299608 /nfs/dbraw/zinc/29/96/08/923299608.db2.gz PAPANFRLFDRHKE-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386737454 923302144 /nfs/dbraw/zinc/30/21/44/923302144.db2.gz FRLILLMIAHYCEP-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386737454 923302161 /nfs/dbraw/zinc/30/21/61/923302161.db2.gz FRLILLMIAHYCEP-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386737453 923302246 /nfs/dbraw/zinc/30/22/46/923302246.db2.gz FRLILLMIAHYCEP-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386737453 923302264 /nfs/dbraw/zinc/30/22/64/923302264.db2.gz FRLILLMIAHYCEP-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386754297 923305262 /nfs/dbraw/zinc/30/52/62/923305262.db2.gz BGOXMQNIHGPFOR-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386754297 923305273 /nfs/dbraw/zinc/30/52/73/923305273.db2.gz BGOXMQNIHGPFOR-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001386888978 923326247 /nfs/dbraw/zinc/32/62/47/923326247.db2.gz LNLJZJYUZFVWIB-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001386901368 923327789 /nfs/dbraw/zinc/32/77/89/923327789.db2.gz YGVCDQHZPRWTCO-SNVBAGLBSA-N 1 1 320.357 -1.150 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC001386903007 923328393 /nfs/dbraw/zinc/32/83/93/923328393.db2.gz FTZHCHYIOAVCCP-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001386945028 923333613 /nfs/dbraw/zinc/33/36/13/923333613.db2.gz KDFGGFICHFPNNI-GDPRMGEGSA-N 1 1 307.354 -1.066 20 0 DAADMO CN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001386979550 923336258 /nfs/dbraw/zinc/33/62/58/923336258.db2.gz WXOHJHKAFGIQJF-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001387009777 923340713 /nfs/dbraw/zinc/34/07/13/923340713.db2.gz WKVPCQCVPDAVQQ-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001387066220 923351191 /nfs/dbraw/zinc/35/11/91/923351191.db2.gz WQBHVUFAVJZWQU-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001387211691 923367112 /nfs/dbraw/zinc/36/71/12/923367112.db2.gz SKFKMTZJGRPPNZ-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001387330105 923373616 /nfs/dbraw/zinc/37/36/16/923373616.db2.gz SDEDEHPMOOCCFS-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1 ZINC001387524724 923383070 /nfs/dbraw/zinc/38/30/70/923383070.db2.gz ZOQYCBRZUNAKBA-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1 ZINC001387524721 923384539 /nfs/dbraw/zinc/38/45/39/923384539.db2.gz ZOQYCBRZUNAKBA-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387627282 923385823 /nfs/dbraw/zinc/38/58/23/923385823.db2.gz PGCHGEPYXKGHIN-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387627282 923385832 /nfs/dbraw/zinc/38/58/32/923385832.db2.gz PGCHGEPYXKGHIN-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001387762013 923414566 /nfs/dbraw/zinc/41/45/66/923414566.db2.gz BPITYTZNHFORAB-UHFFFAOYSA-N 1 1 319.427 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001387842032 923431312 /nfs/dbraw/zinc/43/13/12/923431312.db2.gz WYSJDGNAUDZMLC-NSHDSACASA-N 1 1 307.358 -1.801 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001387874569 923437145 /nfs/dbraw/zinc/43/71/45/923437145.db2.gz QCKGVFPIUXNUNU-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001387902590 923439423 /nfs/dbraw/zinc/43/94/23/923439423.db2.gz GQEFURVBJUPLJS-NSHDSACASA-N 1 1 321.385 -1.411 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001387885368 923439484 /nfs/dbraw/zinc/43/94/84/923439484.db2.gz IJWMVHPRURLUOG-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001387955392 923448539 /nfs/dbraw/zinc/44/85/39/923448539.db2.gz NJAMGXRJYUDJRI-FIQHERPVSA-N 1 1 323.397 -1.051 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)CCn1cnnn1 ZINC001388013225 923456050 /nfs/dbraw/zinc/45/60/50/923456050.db2.gz MUPCUZZEBNYWGO-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388201146 923470948 /nfs/dbraw/zinc/47/09/48/923470948.db2.gz GZURLRHJWPCSLC-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388201146 923470957 /nfs/dbraw/zinc/47/09/57/923470957.db2.gz GZURLRHJWPCSLC-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001388222011 923471128 /nfs/dbraw/zinc/47/11/28/923471128.db2.gz GLNRUGQOHJSUPE-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001388222011 923471135 /nfs/dbraw/zinc/47/11/35/923471135.db2.gz GLNRUGQOHJSUPE-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@H]1CCC[N@H+]1C ZINC001388308369 923474155 /nfs/dbraw/zinc/47/41/55/923474155.db2.gz YRRWDKNGCFLHSJ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CNC(=O)Cn1cnnn1 ZINC001388385553 923475300 /nfs/dbraw/zinc/47/53/00/923475300.db2.gz FLXFWORKOHXDDV-NEPJUHHUSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001388386193 923475793 /nfs/dbraw/zinc/47/57/93/923475793.db2.gz GUHWEXJFZKBUCQ-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CCC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001388642513 923489416 /nfs/dbraw/zinc/48/94/16/923489416.db2.gz SYYPICDLRVUZDX-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001388642513 923489427 /nfs/dbraw/zinc/48/94/27/923489427.db2.gz SYYPICDLRVUZDX-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO)S(N)(=O)=O ZINC001388642516 923489952 /nfs/dbraw/zinc/48/99/52/923489952.db2.gz SYYPICDLRVUZDX-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCO)S(N)(=O)=O ZINC001388642516 923489959 /nfs/dbraw/zinc/48/99/59/923489959.db2.gz SYYPICDLRVUZDX-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001388580919 923490243 /nfs/dbraw/zinc/49/02/43/923490243.db2.gz ZIUAKUUSNXZFNP-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001388679057 923493149 /nfs/dbraw/zinc/49/31/49/923493149.db2.gz AGBPOTDYAHROSH-LPEHRKFASA-N 1 1 324.389 -1.359 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001388687261 923496358 /nfs/dbraw/zinc/49/63/58/923496358.db2.gz QYOGMNOVSRDVTB-OUAUKWLOSA-N 1 1 312.374 -1.144 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388764889 923498074 /nfs/dbraw/zinc/49/80/74/923498074.db2.gz OPGOBTKXRAZUNI-NXEZZACHSA-N 1 1 323.353 -1.202 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(N)=O)C1 ZINC001388766507 923499053 /nfs/dbraw/zinc/49/90/53/923499053.db2.gz GMADOXSIMAPURP-BJDJZHNGSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1)C(N)=O ZINC001388760332 923499238 /nfs/dbraw/zinc/49/92/38/923499238.db2.gz DUMGVXUVLMCIKI-WCBMZHEXSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CO1 ZINC001388763945 923499434 /nfs/dbraw/zinc/49/94/34/923499434.db2.gz GSXFQPWTRNBTKB-RKDXNWHRSA-N 1 1 323.353 -1.202 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001388780004 923500284 /nfs/dbraw/zinc/50/02/84/923500284.db2.gz XEYNAJSGTCYVRV-RDBSUJKOSA-N 1 1 313.398 -1.090 20 0 DAADMO Cn1cc(CC(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)cn1 ZINC001388774180 923500838 /nfs/dbraw/zinc/50/08/38/923500838.db2.gz MBKSUOSHEFAUFH-ZDUSSCGKSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1cc(CC(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)cn1 ZINC001388774180 923500852 /nfs/dbraw/zinc/50/08/52/923500852.db2.gz MBKSUOSHEFAUFH-ZDUSSCGKSA-N 1 1 323.397 -1.267 20 0 DAADMO CS(=O)(=O)CCC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001388778599 923501108 /nfs/dbraw/zinc/50/11/08/923501108.db2.gz MDQFJBCGQPUUAW-GFCCVEGCSA-N 1 1 322.427 -1.301 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2nccnc2N)CC1 ZINC001388848710 923503350 /nfs/dbraw/zinc/50/33/50/923503350.db2.gz XBTMXGLSALBOPD-UHFFFAOYSA-N 1 1 322.369 -1.557 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H]1C ZINC001388798975 923503997 /nfs/dbraw/zinc/50/39/97/923503997.db2.gz MFDDOCVSFLWBCG-VWYCJHECSA-N 1 1 303.359 -1.071 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC001388795940 923504398 /nfs/dbraw/zinc/50/43/98/923504398.db2.gz KYXCUVWHPYXDHG-PWSUYJOCSA-N 1 1 324.381 -1.191 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC001388795940 923504408 /nfs/dbraw/zinc/50/44/08/923504408.db2.gz KYXCUVWHPYXDHG-PWSUYJOCSA-N 1 1 324.381 -1.191 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001388783839 923504709 /nfs/dbraw/zinc/50/47/09/923504709.db2.gz DYIMLRNQLCTNSQ-VWYCJHECSA-N 1 1 310.354 -1.030 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@@H+]1CCF ZINC001388801999 923504983 /nfs/dbraw/zinc/50/49/83/923504983.db2.gz UHVDQZZVYSWZAX-ZJUUUORDSA-N 1 1 310.395 -1.069 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCF ZINC001388801999 923504995 /nfs/dbraw/zinc/50/49/95/923504995.db2.gz UHVDQZZVYSWZAX-ZJUUUORDSA-N 1 1 310.395 -1.069 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001389034987 923513249 /nfs/dbraw/zinc/51/32/49/923513249.db2.gz CLXFYPCTBWHOLW-LLVKDONJSA-N 1 1 303.359 -2.052 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2cncn2)C1 ZINC001389056589 923519227 /nfs/dbraw/zinc/51/92/27/923519227.db2.gz DAOJGOPGDOXYJH-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001389061462 923520967 /nfs/dbraw/zinc/52/09/67/923520967.db2.gz NJJNRQLLCYVJSS-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)CNC(C)=O ZINC001389065466 923526414 /nfs/dbraw/zinc/52/64/14/923526414.db2.gz VUSFGDLKFCMKCL-NSHDSACASA-N 1 1 316.402 -1.554 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnsn1 ZINC001389069889 923528696 /nfs/dbraw/zinc/52/86/96/923528696.db2.gz DNJNQYIGKMJOQE-PSASIEDQSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)COCC2CC2)C1 ZINC001389071635 923530108 /nfs/dbraw/zinc/53/01/08/923530108.db2.gz QLIQVACNIHCSDM-CHWSQXEVSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CS(C)(=O)=O)C1 ZINC001389070783 923530471 /nfs/dbraw/zinc/53/04/71/923530471.db2.gz GWYUXCMLDRAGEA-VHSXEESVSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C1 ZINC001389070785 923530771 /nfs/dbraw/zinc/53/07/71/923530771.db2.gz GWYUXCMLDRAGEA-ZJUUUORDSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)COCC2CC2)C1 ZINC001389071640 923531308 /nfs/dbraw/zinc/53/13/08/923531308.db2.gz QLIQVACNIHCSDM-QWHCGFSZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072898 923534531 /nfs/dbraw/zinc/53/45/31/923534531.db2.gz UPJORBKHQKNXQM-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072898 923534545 /nfs/dbraw/zinc/53/45/45/923534545.db2.gz UPJORBKHQKNXQM-GHMZBOCLSA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389077747 923537468 /nfs/dbraw/zinc/53/74/68/923537468.db2.gz UJPITERLEVTUBE-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080496 923540239 /nfs/dbraw/zinc/54/02/39/923540239.db2.gz UPQOBFHKNOARBZ-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080496 923540256 /nfs/dbraw/zinc/54/02/56/923540256.db2.gz UPQOBFHKNOARBZ-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001389088880 923544745 /nfs/dbraw/zinc/54/47/45/923544745.db2.gz FFTWVDLDLOOQPE-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088880 923544752 /nfs/dbraw/zinc/54/47/52/923544752.db2.gz FFTWVDLDLOOQPE-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088880 923544770 /nfs/dbraw/zinc/54/47/70/923544770.db2.gz FFTWVDLDLOOQPE-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001389090214 923546333 /nfs/dbraw/zinc/54/63/33/923546333.db2.gz BUQFPGBJCWJBKI-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO CC(=O)NCC(=O)NC1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001389098049 923551621 /nfs/dbraw/zinc/55/16/21/923551621.db2.gz GKXGKLJQDGICGB-UHFFFAOYSA-N 1 1 323.353 -1.187 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1)C1CCC1 ZINC001389098446 923551695 /nfs/dbraw/zinc/55/16/95/923551695.db2.gz NSAZUHKTJCRAOA-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)C1CCC1 ZINC001389098446 923551707 /nfs/dbraw/zinc/55/17/07/923551707.db2.gz NSAZUHKTJCRAOA-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)C1CCC1 ZINC001389098446 923551714 /nfs/dbraw/zinc/55/17/14/923551714.db2.gz NSAZUHKTJCRAOA-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001389104785 923556087 /nfs/dbraw/zinc/55/60/87/923556087.db2.gz CHRDGSOYVUGDBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104785 923556095 /nfs/dbraw/zinc/55/60/95/923556095.db2.gz CHRDGSOYVUGDBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104785 923556108 /nfs/dbraw/zinc/55/61/08/923556108.db2.gz CHRDGSOYVUGDBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001389111410 923559763 /nfs/dbraw/zinc/55/97/63/923559763.db2.gz VRCPQNBDBUYUQB-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001389112000 923560018 /nfs/dbraw/zinc/56/00/18/923560018.db2.gz PQWLAPJYYQCQHA-MNOVXSKESA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001389115538 923560519 /nfs/dbraw/zinc/56/05/19/923560519.db2.gz ZYAFPSCTNYBKLV-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115538 923560527 /nfs/dbraw/zinc/56/05/27/923560527.db2.gz ZYAFPSCTNYBKLV-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115538 923560536 /nfs/dbraw/zinc/56/05/36/923560536.db2.gz ZYAFPSCTNYBKLV-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389118325 923562632 /nfs/dbraw/zinc/56/26/32/923562632.db2.gz XUIYIOQCXKUFNB-UWVGGRQHSA-N 1 1 324.341 -2.534 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001389133866 923566394 /nfs/dbraw/zinc/56/63/94/923566394.db2.gz KWEBNWUKZAFHTK-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001389133866 923566401 /nfs/dbraw/zinc/56/64/01/923566401.db2.gz KWEBNWUKZAFHTK-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389158181 923572383 /nfs/dbraw/zinc/57/23/83/923572383.db2.gz GSDMCVQDGSQSKV-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001389174443 923577289 /nfs/dbraw/zinc/57/72/89/923577289.db2.gz OGGMKNBJEQNWAW-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001389174443 923577300 /nfs/dbraw/zinc/57/73/00/923577300.db2.gz OGGMKNBJEQNWAW-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CC3(O)CCC3)C2)C1 ZINC001389187906 923579323 /nfs/dbraw/zinc/57/93/23/923579323.db2.gz LCPXWKVNALFRGF-LBPRGKRZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CC3(O)CCC3)C2)C1 ZINC001389187906 923579329 /nfs/dbraw/zinc/57/93/29/923579329.db2.gz LCPXWKVNALFRGF-LBPRGKRZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCc3cn[nH]c3)C2)C1 ZINC001389224004 923586752 /nfs/dbraw/zinc/58/67/52/923586752.db2.gz ICVIOVGGRKLNKF-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCc3cn[nH]c3)C2)C1 ZINC001389224004 923586763 /nfs/dbraw/zinc/58/67/63/923586763.db2.gz ICVIOVGGRKLNKF-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001389235873 923587272 /nfs/dbraw/zinc/58/72/72/923587272.db2.gz NZLVLACEWDDLIY-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3(NC(N)=O)CC3)C2)CC[N@H+]1C ZINC001389223956 923587883 /nfs/dbraw/zinc/58/78/83/923587883.db2.gz HZUCDQKCKXRTJF-MWLCHTKSSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001389256238 923592598 /nfs/dbraw/zinc/59/25/98/923592598.db2.gz OFRZMMQAVUZZQV-VIFPVBQESA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389322562 923599912 /nfs/dbraw/zinc/59/99/12/923599912.db2.gz ZLMGHBKZKTUJTI-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389322562 923599925 /nfs/dbraw/zinc/59/99/25/923599925.db2.gz ZLMGHBKZKTUJTI-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001389311292 923601012 /nfs/dbraw/zinc/60/10/12/923601012.db2.gz UBXJXOBXPQDEOM-VIFPVBQESA-N 1 1 316.383 -1.143 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncnc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389315651 923601056 /nfs/dbraw/zinc/60/10/56/923601056.db2.gz BWZRHSSUGBVOAA-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncnc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389315651 923601067 /nfs/dbraw/zinc/60/10/67/923601067.db2.gz BWZRHSSUGBVOAA-AAEUAGOBSA-N 1 1 321.381 -1.029 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001389346145 923605757 /nfs/dbraw/zinc/60/57/57/923605757.db2.gz LQXQUYBPGPVZMQ-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001389346145 923605769 /nfs/dbraw/zinc/60/57/69/923605769.db2.gz LQXQUYBPGPVZMQ-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001389361289 923606367 /nfs/dbraw/zinc/60/63/67/923606367.db2.gz PRWZJKREMGCSTO-UONOGXRCSA-N 1 1 323.397 -1.039 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001389369910 923609009 /nfs/dbraw/zinc/60/90/09/923609009.db2.gz JVSABKJLKWWYDU-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001389369910 923609022 /nfs/dbraw/zinc/60/90/22/923609022.db2.gz JVSABKJLKWWYDU-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001389369908 923609324 /nfs/dbraw/zinc/60/93/24/923609324.db2.gz JVSABKJLKWWYDU-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001389369908 923609341 /nfs/dbraw/zinc/60/93/41/923609341.db2.gz JVSABKJLKWWYDU-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CCn3cnnn3)C2)C1 ZINC001389380222 923609602 /nfs/dbraw/zinc/60/96/02/923609602.db2.gz BJYUKMHORDYWKL-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001389375393 923609691 /nfs/dbraw/zinc/60/96/91/923609691.db2.gz XXOMODNHTRLPON-VIFPVBQESA-N 1 1 310.358 -1.259 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001389376913 923610926 /nfs/dbraw/zinc/61/09/26/923610926.db2.gz RKLWBJYITSFTIC-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001389451456 923625681 /nfs/dbraw/zinc/62/56/81/923625681.db2.gz JPGYTIQMQRUMLH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001389445888 923626049 /nfs/dbraw/zinc/62/60/49/923626049.db2.gz CUQDGUXONBGSIH-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001389441177 923626095 /nfs/dbraw/zinc/62/60/95/923626095.db2.gz VQRDLGOQNUBZNM-GDPRMGEGSA-N 1 1 307.354 -1.066 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451375 923626626 /nfs/dbraw/zinc/62/66/26/923626626.db2.gz LSXQOAADFFUMCQ-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451375 923626632 /nfs/dbraw/zinc/62/66/32/923626632.db2.gz LSXQOAADFFUMCQ-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451374 923626701 /nfs/dbraw/zinc/62/67/01/923626701.db2.gz LSXQOAADFFUMCQ-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451374 923626710 /nfs/dbraw/zinc/62/67/10/923626710.db2.gz LSXQOAADFFUMCQ-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001389462245 923628739 /nfs/dbraw/zinc/62/87/39/923628739.db2.gz HFLCMEUBSQIPJP-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001389462248 923629201 /nfs/dbraw/zinc/62/92/01/923629201.db2.gz HFLCMEUBSQIPJP-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001389453678 923629352 /nfs/dbraw/zinc/62/93/52/923629352.db2.gz RWZKHZWEMDOOFP-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001389453678 923629359 /nfs/dbraw/zinc/62/93/59/923629359.db2.gz RWZKHZWEMDOOFP-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001389452883 923630138 /nfs/dbraw/zinc/63/01/38/923630138.db2.gz BFMLGDKQTTUVOX-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001389454087 923630208 /nfs/dbraw/zinc/63/02/08/923630208.db2.gz PUJKDGLVBMTUPK-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001389479095 923636313 /nfs/dbraw/zinc/63/63/13/923636313.db2.gz QTZJCDDDWMQASU-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001389491714 923636852 /nfs/dbraw/zinc/63/68/52/923636852.db2.gz SPCUSISKWHYPOD-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCNS(C)(=O)=O)C2)C1 ZINC001389514191 923638003 /nfs/dbraw/zinc/63/80/03/923638003.db2.gz SIHSMDNRUOFJLI-NWDGAFQWSA-N 1 1 318.443 -1.322 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001389500331 923639224 /nfs/dbraw/zinc/63/92/24/923639224.db2.gz BTVMMILVBXQLJK-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492878 923639847 /nfs/dbraw/zinc/63/98/47/923639847.db2.gz XVROWMJSOZFNTG-DTWKUNHWSA-N 1 1 321.403 -2.553 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492878 923639859 /nfs/dbraw/zinc/63/98/59/923639859.db2.gz XVROWMJSOZFNTG-DTWKUNHWSA-N 1 1 321.403 -2.553 20 0 DAADMO CCn1cc(C[NH2+][C@@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001389555419 923646800 /nfs/dbraw/zinc/64/68/00/923646800.db2.gz QLMFORONNKZVRB-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)CCNC(N)=O ZINC001389639361 923656821 /nfs/dbraw/zinc/65/68/21/923656821.db2.gz VBSSWOVMQYMHDJ-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)CC[N@H+]1C ZINC001389655536 923660051 /nfs/dbraw/zinc/66/00/51/923660051.db2.gz RHPDAHXVGRQEBD-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001389667091 923662245 /nfs/dbraw/zinc/66/22/45/923662245.db2.gz QPAOESYVEJPWLN-NXEZZACHSA-N 1 1 322.373 -1.782 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001389667114 923662658 /nfs/dbraw/zinc/66/26/58/923662658.db2.gz QPAOESYVEJPWLN-ZJUUUORDSA-N 1 1 322.373 -1.782 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001389661394 923663362 /nfs/dbraw/zinc/66/33/62/923663362.db2.gz VEWCTQVIICIJNP-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)CCn2cnnn2)C2CC2)n1 ZINC001389683528 923666384 /nfs/dbraw/zinc/66/63/84/923666384.db2.gz MGKIATDDYPAJNH-GFCCVEGCSA-N 1 1 319.373 -1.124 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)CCNC(N)=O ZINC001389711799 923667813 /nfs/dbraw/zinc/66/78/13/923667813.db2.gz OEXAWIHUNWKEIM-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001389719536 923668765 /nfs/dbraw/zinc/66/87/65/923668765.db2.gz KOLPJISTWMNORB-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001389724936 923671046 /nfs/dbraw/zinc/67/10/46/923671046.db2.gz FBMNFFIEFTVESX-VIFPVBQESA-N 1 1 323.357 -1.216 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC(=O)N1 ZINC001389742627 923671674 /nfs/dbraw/zinc/67/16/74/923671674.db2.gz ANLVZKUXJVJVBX-WHOHXGKFSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001389762267 923673834 /nfs/dbraw/zinc/67/38/34/923673834.db2.gz KOJYCYLMATZRMF-KOLCDFICSA-N 1 1 309.374 -1.060 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NS(C)(=O)=O ZINC001389761523 923674325 /nfs/dbraw/zinc/67/43/25/923674325.db2.gz BCUWTWNSHZGTEA-KKOKHZNYSA-N 1 1 319.427 -1.020 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001389770830 923677221 /nfs/dbraw/zinc/67/72/21/923677221.db2.gz JTEKITFATZDRAO-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001389782476 923681615 /nfs/dbraw/zinc/68/16/15/923681615.db2.gz YDNYBDKJSDRJEM-IUCAKERBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)CS(C)(=O)=O)CC2)C1 ZINC001389860141 923691001 /nfs/dbraw/zinc/69/10/01/923691001.db2.gz XUSYDSKAFQDQPI-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001389871536 923692626 /nfs/dbraw/zinc/69/26/26/923692626.db2.gz TVOPZCWPIZARJF-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001389873722 923692658 /nfs/dbraw/zinc/69/26/58/923692658.db2.gz QGBQZGCZDNYYKL-MGCOHNPYSA-N 1 1 324.341 -1.941 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001389897653 923696224 /nfs/dbraw/zinc/69/62/24/923696224.db2.gz RECZSUXEDVTALE-GFCCVEGCSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001389897653 923696235 /nfs/dbraw/zinc/69/62/35/923696235.db2.gz RECZSUXEDVTALE-GFCCVEGCSA-N 1 1 321.381 -1.143 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)nn1 ZINC001389940684 923697685 /nfs/dbraw/zinc/69/76/85/923697685.db2.gz XIBJAJLKACHHTM-DTORHVGOSA-N 1 1 301.372 -1.404 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001389953322 923702502 /nfs/dbraw/zinc/70/25/02/923702502.db2.gz FWAUHAAEVBRDEN-GHMZBOCLSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001389953330 923703286 /nfs/dbraw/zinc/70/32/86/923703286.db2.gz FWAUHAAEVBRDEN-QWRGUYRKSA-N 1 1 323.397 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001389970099 923704330 /nfs/dbraw/zinc/70/43/30/923704330.db2.gz ZRGXSAWZDFBFID-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001389986807 923705802 /nfs/dbraw/zinc/70/58/02/923705802.db2.gz VIXFXGNQYMYBFE-BBBLOLIVSA-N 1 1 315.399 -1.015 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1)NC(N)=O ZINC001389977235 923706216 /nfs/dbraw/zinc/70/62/16/923706216.db2.gz TZFYTKTZEKTASE-RGOKHQFPSA-N 1 1 324.389 -1.045 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001390030029 923710057 /nfs/dbraw/zinc/71/00/57/923710057.db2.gz FEYAEYMCBJFZNS-QJPTWQEYSA-N 1 1 316.402 -1.121 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001390027145 923710247 /nfs/dbraw/zinc/71/02/47/923710247.db2.gz AMAMUFTYMGYLTC-GHMZBOCLSA-N 1 1 324.385 -1.716 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390063259 923713587 /nfs/dbraw/zinc/71/35/87/923713587.db2.gz JXRGXKHURQOSMC-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390063259 923713598 /nfs/dbraw/zinc/71/35/98/923713598.db2.gz JXRGXKHURQOSMC-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390063251 923714874 /nfs/dbraw/zinc/71/48/74/923714874.db2.gz JXRGXKHURQOSMC-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390063251 923714879 /nfs/dbraw/zinc/71/48/79/923714879.db2.gz JXRGXKHURQOSMC-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001390097270 923716201 /nfs/dbraw/zinc/71/62/01/923716201.db2.gz UFHPVIBHWKZVPX-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390122787 923720871 /nfs/dbraw/zinc/72/08/71/923720871.db2.gz IJUDHDPUYMAWJI-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184071 923722287 /nfs/dbraw/zinc/72/22/87/923722287.db2.gz JSMXKTNZRGQPFQ-GPTQDWHKSA-N 1 1 310.354 -1.347 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184071 923722302 /nfs/dbraw/zinc/72/23/02/923722302.db2.gz JSMXKTNZRGQPFQ-GPTQDWHKSA-N 1 1 310.354 -1.347 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)S(C)(=O)=O ZINC001390208825 923723304 /nfs/dbraw/zinc/72/33/04/923723304.db2.gz JHEDLZPDBXDYOJ-RNWYCLNJSA-N 1 1 320.411 -1.527 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)S(C)(=O)=O ZINC001390208825 923723315 /nfs/dbraw/zinc/72/33/15/923723315.db2.gz JHEDLZPDBXDYOJ-RNWYCLNJSA-N 1 1 320.411 -1.527 20 0 DAADMO CC(=O)NCC(=O)NC1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001390237808 923724699 /nfs/dbraw/zinc/72/46/99/923724699.db2.gz HYCVTWTXVJAOCG-UHFFFAOYSA-N 1 1 309.374 -1.137 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001390285887 923724853 /nfs/dbraw/zinc/72/48/53/923724853.db2.gz KOIVBYHZYUPGGA-VIFPVBQESA-N 1 1 307.362 -1.113 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001390223599 923726456 /nfs/dbraw/zinc/72/64/56/923726456.db2.gz IKNNHIGJZCNEPC-FPYNETTCSA-N 1 1 311.382 -1.075 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001390211285 923726478 /nfs/dbraw/zinc/72/64/78/923726478.db2.gz CMHGYLSTANCBCF-LVEVGFFFSA-N 1 1 319.427 -1.259 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)CNC(=O)Cn1cnnn1 ZINC001390275830 923726675 /nfs/dbraw/zinc/72/66/75/923726675.db2.gz AWIYRPRIGLYVBH-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001390211311 923726804 /nfs/dbraw/zinc/72/68/04/923726804.db2.gz IECRMILQBSVDFX-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001390211311 923726825 /nfs/dbraw/zinc/72/68/25/923726825.db2.gz IECRMILQBSVDFX-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1ncnn1CCF ZINC001390340533 923729649 /nfs/dbraw/zinc/72/96/49/923729649.db2.gz HUXCBJTVTTZAIE-IUCAKERBSA-N 1 1 315.353 -1.101 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nc(C2CC2)nn1C ZINC001390364805 923731575 /nfs/dbraw/zinc/73/15/75/923731575.db2.gz ARJNZWYMTQVKRF-SECBINFHSA-N 1 1 319.373 -1.027 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390319 923731888 /nfs/dbraw/zinc/73/18/88/923731888.db2.gz XFQVYFGCPOCFBF-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390319 923731896 /nfs/dbraw/zinc/73/18/96/923731896.db2.gz XFQVYFGCPOCFBF-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001390401517 923735082 /nfs/dbraw/zinc/73/50/82/923735082.db2.gz MGYUSMDLFNRXIY-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnns1 ZINC001390402312 923735427 /nfs/dbraw/zinc/73/54/27/923735427.db2.gz FEBBCBFIJCIMCZ-QMMMGPOBSA-N 1 1 311.371 -1.272 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001390411710 923738983 /nfs/dbraw/zinc/73/89/83/923738983.db2.gz YZBXERRPZPAQDR-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnnn1C1CC1 ZINC001390458672 923744212 /nfs/dbraw/zinc/74/42/12/923744212.db2.gz FQGNWWPZZBXFES-MRVPVSSYSA-N 1 1 318.341 -1.001 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001390505989 923750033 /nfs/dbraw/zinc/75/00/33/923750033.db2.gz HHRLOBKOTIVEAG-QWRGUYRKSA-N 1 1 307.358 -1.301 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001390516154 923750296 /nfs/dbraw/zinc/75/02/96/923750296.db2.gz XODVCICILXKHHM-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ncccn1 ZINC001390521096 923750808 /nfs/dbraw/zinc/75/08/08/923750808.db2.gz IAGAPRQAJGPDAH-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001390528805 923754575 /nfs/dbraw/zinc/75/45/75/923754575.db2.gz WRCQCMFEBNZVQN-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001390533986 923755518 /nfs/dbraw/zinc/75/55/18/923755518.db2.gz QHLSADDGENVHRM-WPRPVWTQSA-N 1 1 316.387 -1.899 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001390583903 923762428 /nfs/dbraw/zinc/76/24/28/923762428.db2.gz RQCNGFFTBHCYCF-KOLCDFICSA-N 1 1 309.374 -1.327 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001390624484 923763304 /nfs/dbraw/zinc/76/33/04/923763304.db2.gz RTVJPKVMTBPVIE-SRVKXCTJSA-N 1 1 316.402 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001390637300 923767526 /nfs/dbraw/zinc/76/75/26/923767526.db2.gz RTPMNDNCKMLBBQ-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001390637300 923767543 /nfs/dbraw/zinc/76/75/43/923767543.db2.gz RTPMNDNCKMLBBQ-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625532 923768276 /nfs/dbraw/zinc/76/82/76/923768276.db2.gz NQQSWQCYSCXBHD-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625532 923768289 /nfs/dbraw/zinc/76/82/89/923768289.db2.gz NQQSWQCYSCXBHD-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001390625296 923768446 /nfs/dbraw/zinc/76/84/46/923768446.db2.gz MRUDBCDXCRQIBK-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001390625296 923768451 /nfs/dbraw/zinc/76/84/51/923768451.db2.gz MRUDBCDXCRQIBK-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001390633872 923768558 /nfs/dbraw/zinc/76/85/58/923768558.db2.gz FSGSUJXEEXJBIL-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001390736851 923772727 /nfs/dbraw/zinc/77/27/27/923772727.db2.gz UEHIAXOOTPYTKA-MRVPVSSYSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001390736851 923772738 /nfs/dbraw/zinc/77/27/38/923772738.db2.gz UEHIAXOOTPYTKA-MRVPVSSYSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001390756322 923774588 /nfs/dbraw/zinc/77/45/88/923774588.db2.gz KCOGVDLXWDXQPV-SNVBAGLBSA-N 1 1 310.420 -1.847 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390758873 923774907 /nfs/dbraw/zinc/77/49/07/923774907.db2.gz HRUCHRMFCCFDLU-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390758873 923774916 /nfs/dbraw/zinc/77/49/16/923774916.db2.gz HRUCHRMFCCFDLU-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1ccncn1 ZINC001390758741 923774934 /nfs/dbraw/zinc/77/49/34/923774934.db2.gz GAIAMUNIUCGTCV-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1ccncn1 ZINC001390758741 923774940 /nfs/dbraw/zinc/77/49/40/923774940.db2.gz GAIAMUNIUCGTCV-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001390742778 923775703 /nfs/dbraw/zinc/77/57/03/923775703.db2.gz OFXKXEGKSOZEBT-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)CCN2CCCC2=O)c1=O ZINC001390781160 923776311 /nfs/dbraw/zinc/77/63/11/923776311.db2.gz CLZFRWCIUBBTMR-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO C[N@H+](CCNC(=O)CCNS(C)(=O)=O)[C@H]1CCCNC1=O ZINC001390761537 923776812 /nfs/dbraw/zinc/77/68/12/923776812.db2.gz MWLVHHBAWMUPLQ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)CCNS(C)(=O)=O)[C@H]1CCCNC1=O ZINC001390761537 923776815 /nfs/dbraw/zinc/77/68/15/923776815.db2.gz MWLVHHBAWMUPLQ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)nn2c1 ZINC001390777671 923777280 /nfs/dbraw/zinc/77/72/80/923777280.db2.gz IJNSGGDCCSZRAW-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)nn2c1 ZINC001390777671 923777296 /nfs/dbraw/zinc/77/72/96/923777296.db2.gz IJNSGGDCCSZRAW-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n[nH]nc2c1)[C@H]1CCNC1=O ZINC001390768540 923777343 /nfs/dbraw/zinc/77/73/43/923777343.db2.gz TVILAWNVWRRYHO-JTQLQIEISA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n[nH]nc2c1)[C@H]1CCNC1=O ZINC001390768540 923777351 /nfs/dbraw/zinc/77/73/51/923777351.db2.gz TVILAWNVWRRYHO-JTQLQIEISA-N 1 1 303.326 -1.097 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CCCN1CCCC1=O ZINC001390765203 923778623 /nfs/dbraw/zinc/77/86/23/923778623.db2.gz LYGKCWBLGARYJO-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O)S(C)(=O)=O ZINC001390761275 923778730 /nfs/dbraw/zinc/77/87/30/923778730.db2.gz KHQWTSVXDZDFQJ-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)S(C)(=O)=O ZINC001390761275 923778738 /nfs/dbraw/zinc/77/87/38/923778738.db2.gz KHQWTSVXDZDFQJ-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810079 923780446 /nfs/dbraw/zinc/78/04/46/923780446.db2.gz VGGICNNAXRSQTH-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390810079 923780463 /nfs/dbraw/zinc/78/04/63/923780463.db2.gz VGGICNNAXRSQTH-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001390798694 923780722 /nfs/dbraw/zinc/78/07/22/923780722.db2.gz SZXHGIQGAQUWEI-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001390798694 923780729 /nfs/dbraw/zinc/78/07/29/923780729.db2.gz SZXHGIQGAQUWEI-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001390796471 923783016 /nfs/dbraw/zinc/78/30/16/923783016.db2.gz UOLZXIZQSASPIK-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+](C)CC1CC1 ZINC001390842072 923783900 /nfs/dbraw/zinc/78/39/00/923783900.db2.gz MTIKZQZCQRDKGF-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCc2n[nH]cc2C1)CC(=O)NC(N)=O ZINC001390840422 923784599 /nfs/dbraw/zinc/78/45/99/923784599.db2.gz XYSYPLRZFYAWOS-SECBINFHSA-N 1 1 322.369 -1.243 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCc2n[nH]cc2C1)CC(=O)NC(N)=O ZINC001390840422 923784613 /nfs/dbraw/zinc/78/46/13/923784613.db2.gz XYSYPLRZFYAWOS-SECBINFHSA-N 1 1 322.369 -1.243 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390834183 923784718 /nfs/dbraw/zinc/78/47/18/923784718.db2.gz CHBXHLITLSACKP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390834183 923784736 /nfs/dbraw/zinc/78/47/36/923784736.db2.gz CHBXHLITLSACKP-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO COc1cncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n1 ZINC001390823164 923785928 /nfs/dbraw/zinc/78/59/28/923785928.db2.gz BHKHWVAYUQKNDU-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n1 ZINC001390823164 923785936 /nfs/dbraw/zinc/78/59/36/923785936.db2.gz BHKHWVAYUQKNDU-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)ccc1=O ZINC001390851327 923787954 /nfs/dbraw/zinc/78/79/54/923787954.db2.gz FVWMFIKRTLPTNB-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)ccc1=O ZINC001390851327 923787971 /nfs/dbraw/zinc/78/79/71/923787971.db2.gz FVWMFIKRTLPTNB-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390866949 923788096 /nfs/dbraw/zinc/78/80/96/923788096.db2.gz VEACUGKPRHCKKK-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390866949 923788108 /nfs/dbraw/zinc/78/81/08/923788108.db2.gz VEACUGKPRHCKKK-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)CCn2cncn2)ccc1=O ZINC001390851305 923788607 /nfs/dbraw/zinc/78/86/07/923788607.db2.gz FOFCAKFKCIVLTH-UHFFFAOYSA-N 1 1 305.342 -1.266 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001390856302 923790113 /nfs/dbraw/zinc/79/01/13/923790113.db2.gz CIFNUIKURLACFO-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001390856302 923790127 /nfs/dbraw/zinc/79/01/27/923790127.db2.gz CIFNUIKURLACFO-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001390864200 923790313 /nfs/dbraw/zinc/79/03/13/923790313.db2.gz NIOPZFYMBVRXGH-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001390864200 923790325 /nfs/dbraw/zinc/79/03/25/923790325.db2.gz NIOPZFYMBVRXGH-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+](CCNC(=O)c1cccc(C(N)=O)n1)[C@@H]1CCNC1=O ZINC001390859620 923791026 /nfs/dbraw/zinc/79/10/26/923791026.db2.gz DIYWGJWEIQLCSF-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)[C@@H]1CCNC1=O ZINC001390859620 923791034 /nfs/dbraw/zinc/79/10/34/923791034.db2.gz DIYWGJWEIQLCSF-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@H]1CCNC1=O ZINC001390913781 923792535 /nfs/dbraw/zinc/79/25/35/923792535.db2.gz MMTASRFGFKSYLF-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793017 /nfs/dbraw/zinc/79/30/17/923793017.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@H](C)C(=O)NC ZINC001390913078 923793028 /nfs/dbraw/zinc/79/30/28/923793028.db2.gz ZTTKRYXZJUIUFF-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)NC ZINC001390957026 923794026 /nfs/dbraw/zinc/79/40/26/923794026.db2.gz WLMOYSMGKMJKDE-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)NC ZINC001390957026 923794034 /nfs/dbraw/zinc/79/40/34/923794034.db2.gz WLMOYSMGKMJKDE-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1ncn(C)c1=O)CC(=O)NC ZINC001390940438 923794559 /nfs/dbraw/zinc/79/45/59/923794559.db2.gz BVTOMPCXOMJODJ-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)CC(=O)NC ZINC001390940438 923794573 /nfs/dbraw/zinc/79/45/73/923794573.db2.gz BVTOMPCXOMJODJ-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)C(=O)COC)[C@@H]1CCNC1=O ZINC001390917096 923794704 /nfs/dbraw/zinc/79/47/04/923794704.db2.gz NHSGFOHFSGKRBV-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(=O)N(C)C ZINC001390957094 923794978 /nfs/dbraw/zinc/79/49/78/923794978.db2.gz ATBXUXXGIWFUQO-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(=O)N(C)C ZINC001390957094 923794987 /nfs/dbraw/zinc/79/49/87/923794987.db2.gz ATBXUXXGIWFUQO-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)[C@H]1CCNC1=O ZINC001391000257 923796635 /nfs/dbraw/zinc/79/66/35/923796635.db2.gz LPOFWMLFAFQFRA-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001391042342 923796782 /nfs/dbraw/zinc/79/67/82/923796782.db2.gz CILIBJGZHNYPJH-QMMMGPOBSA-N 1 1 307.376 -2.894 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001391042342 923796792 /nfs/dbraw/zinc/79/67/92/923796792.db2.gz CILIBJGZHNYPJH-QMMMGPOBSA-N 1 1 307.376 -2.894 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001391027612 923797024 /nfs/dbraw/zinc/79/70/24/923797024.db2.gz VZPIVVIJTRWIOV-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O)nn1 ZINC001391003576 923797597 /nfs/dbraw/zinc/79/75/97/923797597.db2.gz QWVCQAFNGRDPRF-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O)nn1 ZINC001391003576 923797612 /nfs/dbraw/zinc/79/76/12/923797612.db2.gz QWVCQAFNGRDPRF-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001391042310 923797775 /nfs/dbraw/zinc/79/77/75/923797775.db2.gz CILIBJGZHNYPJH-MRVPVSSYSA-N 1 1 307.376 -2.894 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001391042310 923797785 /nfs/dbraw/zinc/79/77/85/923797785.db2.gz CILIBJGZHNYPJH-MRVPVSSYSA-N 1 1 307.376 -2.894 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001391049787 923798014 /nfs/dbraw/zinc/79/80/14/923798014.db2.gz SXGDXADDFCVJJT-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001391049787 923798020 /nfs/dbraw/zinc/79/80/20/923798020.db2.gz SXGDXADDFCVJJT-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001391046621 923798117 /nfs/dbraw/zinc/79/81/17/923798117.db2.gz NMAVYFVBCWVHOR-SNVBAGLBSA-N 1 1 323.353 -1.725 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001391046621 923798127 /nfs/dbraw/zinc/79/81/27/923798127.db2.gz NMAVYFVBCWVHOR-SNVBAGLBSA-N 1 1 323.353 -1.725 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001390962803 923798443 /nfs/dbraw/zinc/79/84/43/923798443.db2.gz UXHMIBQXOYSYGY-JTQLQIEISA-N 1 1 308.342 -1.711 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)CC(N)=O ZINC001390962803 923798454 /nfs/dbraw/zinc/79/84/54/923798454.db2.gz UXHMIBQXOYSYGY-JTQLQIEISA-N 1 1 308.342 -1.711 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391047307 923798954 /nfs/dbraw/zinc/79/89/54/923798954.db2.gz JTVKFPZIHYGYCV-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391029839 923799069 /nfs/dbraw/zinc/79/90/69/923799069.db2.gz LNIJRKBBVJSKBT-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)[C@@H]1CCNC1=O ZINC001391000252 923799304 /nfs/dbraw/zinc/79/93/04/923799304.db2.gz LPOFWMLFAFQFRA-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001391027617 923799326 /nfs/dbraw/zinc/79/93/26/923799326.db2.gz VZPIVVIJTRWIOV-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)C[C@H](C)O ZINC001391007954 923799757 /nfs/dbraw/zinc/79/97/57/923799757.db2.gz LIGFPIKYJAMVBD-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)C[C@H](C)O ZINC001391007954 923799764 /nfs/dbraw/zinc/79/97/64/923799764.db2.gz LIGFPIKYJAMVBD-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO COCC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001391078615 923800144 /nfs/dbraw/zinc/80/01/44/923800144.db2.gz HOSWQZSBYHPDJI-NSHDSACASA-N 1 1 324.381 -1.332 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001391066464 923800605 /nfs/dbraw/zinc/80/06/05/923800605.db2.gz JBJRWTJNSSETBG-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001391066464 923800616 /nfs/dbraw/zinc/80/06/16/923800616.db2.gz JBJRWTJNSSETBG-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391080820 923801040 /nfs/dbraw/zinc/80/10/40/923801040.db2.gz GUARQQVNNLWGKO-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001391055372 923801204 /nfs/dbraw/zinc/80/12/04/923801204.db2.gz ZVTGXCJTTCXEQG-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001391055372 923801216 /nfs/dbraw/zinc/80/12/16/923801216.db2.gz ZVTGXCJTTCXEQG-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n(C)n1 ZINC001391081450 923801396 /nfs/dbraw/zinc/80/13/96/923801396.db2.gz BRWMPHYMWIFWDB-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001391066466 923801455 /nfs/dbraw/zinc/80/14/55/923801455.db2.gz JBJRWTJNSSETBG-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001391066466 923801461 /nfs/dbraw/zinc/80/14/61/923801461.db2.gz JBJRWTJNSSETBG-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001391058563 923801483 /nfs/dbraw/zinc/80/14/83/923801483.db2.gz UNQXGLDCZHWHAE-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001391058563 923801489 /nfs/dbraw/zinc/80/14/89/923801489.db2.gz UNQXGLDCZHWHAE-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001391080465 923801721 /nfs/dbraw/zinc/80/17/21/923801721.db2.gz GDADBDJHVGEFHE-NSHDSACASA-N 1 1 307.358 -1.657 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCO)C1(n2cnnn2)CCOCC1 ZINC001391066304 923802604 /nfs/dbraw/zinc/80/26/04/923802604.db2.gz AMIORPAEEPUQGC-GFCCVEGCSA-N 1 1 324.385 -1.248 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(N)=O)c1 ZINC001391054661 923802848 /nfs/dbraw/zinc/80/28/48/923802848.db2.gz XILJFZHEUNJZEP-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(N)=O)c1 ZINC001391054661 923802863 /nfs/dbraw/zinc/80/28/63/923802863.db2.gz XILJFZHEUNJZEP-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391080909 923802896 /nfs/dbraw/zinc/80/28/96/923802896.db2.gz HAUBQDOHBNJQQB-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391092956 923804377 /nfs/dbraw/zinc/80/43/77/923804377.db2.gz OEYAFIFYHHQBLQ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391092959 923804511 /nfs/dbraw/zinc/80/45/11/923804511.db2.gz OEYAFIFYHHQBLQ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001391098888 923804979 /nfs/dbraw/zinc/80/49/79/923804979.db2.gz LACXSYZPYZFOLD-UWVGGRQHSA-N 1 1 323.353 -1.739 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001391090154 923806191 /nfs/dbraw/zinc/80/61/91/923806191.db2.gz RLNLPRMSHMVHDY-NSHDSACASA-N 1 1 324.385 -1.475 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001391090154 923806201 /nfs/dbraw/zinc/80/62/01/923806201.db2.gz RLNLPRMSHMVHDY-NSHDSACASA-N 1 1 324.385 -1.475 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391098887 923806378 /nfs/dbraw/zinc/80/63/78/923806378.db2.gz NACOTJUYYVVYQB-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001391098782 923806676 /nfs/dbraw/zinc/80/66/76/923806676.db2.gz LACXSYZPYZFOLD-NXEZZACHSA-N 1 1 323.353 -1.739 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)OC)C1 ZINC001391089037 923806722 /nfs/dbraw/zinc/80/67/22/923806722.db2.gz QCUUAMWKJZNELB-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391098880 923807089 /nfs/dbraw/zinc/80/70/89/923807089.db2.gz NACOTJUYYVVYQB-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001391094990 923807352 /nfs/dbraw/zinc/80/73/52/923807352.db2.gz JKVQBYSMBXUXNE-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001391149669 923809003 /nfs/dbraw/zinc/80/90/03/923809003.db2.gz KFPHICKQDBJDJU-UHFFFAOYSA-N 1 1 322.373 -1.721 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001391163282 923809393 /nfs/dbraw/zinc/80/93/93/923809393.db2.gz ZNPYLQHKICQBCY-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001391163282 923809398 /nfs/dbraw/zinc/80/93/98/923809398.db2.gz ZNPYLQHKICQBCY-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C)C1=O ZINC001391136318 923809505 /nfs/dbraw/zinc/80/95/05/923809505.db2.gz IVERQKAIHRZFTP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@H+](CCNC(=O)CNC(=O)NC)CC(=O)N1CCC1 ZINC001391125234 923810111 /nfs/dbraw/zinc/81/01/11/923810111.db2.gz AFSXKDCKRYGDCT-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)CC(=O)N1CCC1 ZINC001391125234 923810112 /nfs/dbraw/zinc/81/01/12/923810112.db2.gz AFSXKDCKRYGDCT-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCC[N@H+](CCNC(=O)CNC(C)=O)CC(=O)NC(=O)NC ZINC001391117861 923810822 /nfs/dbraw/zinc/81/08/22/923810822.db2.gz KLXQRLPIQALZQN-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(C)=O)CC(=O)NC(=O)NC ZINC001391117861 923810829 /nfs/dbraw/zinc/81/08/29/923810829.db2.gz KLXQRLPIQALZQN-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C)C1=O ZINC001391136315 923810969 /nfs/dbraw/zinc/81/09/69/923810969.db2.gz IVERQKAIHRZFTP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001391183097 923813050 /nfs/dbraw/zinc/81/30/50/923813050.db2.gz BKNWDYGYBIRAIT-RYUDHWBXSA-N 1 1 314.386 -1.402 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391179932 923813248 /nfs/dbraw/zinc/81/32/48/923813248.db2.gz JVUBYSMGFMDPIU-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391179932 923813261 /nfs/dbraw/zinc/81/32/61/923813261.db2.gz JVUBYSMGFMDPIU-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001391171009 923813859 /nfs/dbraw/zinc/81/38/59/923813859.db2.gz XFPVUMOFPQXRJD-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001391171009 923813872 /nfs/dbraw/zinc/81/38/72/923813872.db2.gz XFPVUMOFPQXRJD-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)C1=O ZINC001391193422 923813974 /nfs/dbraw/zinc/81/39/74/923813974.db2.gz ZPNGHYCNGTYHAG-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)C1=O ZINC001391193422 923813980 /nfs/dbraw/zinc/81/39/80/923813980.db2.gz ZPNGHYCNGTYHAG-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001391204513 923815182 /nfs/dbraw/zinc/81/51/82/923815182.db2.gz QRCUMKQJDCBWLQ-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1cccnc1C(N)=O)C1CC1 ZINC001391199251 923816427 /nfs/dbraw/zinc/81/64/27/923816427.db2.gz QFNUVGIWCRGZGG-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1cccnc1C(N)=O)C1CC1 ZINC001391199251 923816435 /nfs/dbraw/zinc/81/64/35/923816435.db2.gz QFNUVGIWCRGZGG-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001391212819 923816813 /nfs/dbraw/zinc/81/68/13/923816813.db2.gz URRZEWNGZLAFPA-ONGXEEELSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001391212819 923816820 /nfs/dbraw/zinc/81/68/20/923816820.db2.gz URRZEWNGZLAFPA-ONGXEEELSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001391221378 923819038 /nfs/dbraw/zinc/81/90/38/923819038.db2.gz PXPRQMPHUHLTHP-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001391216193 923820457 /nfs/dbraw/zinc/82/04/57/923820457.db2.gz YFAGSGFSYAWWNP-WDEREUQCSA-N 1 1 324.385 -1.454 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001391216193 923820472 /nfs/dbraw/zinc/82/04/72/923820472.db2.gz YFAGSGFSYAWWNP-WDEREUQCSA-N 1 1 324.385 -1.454 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292945 923822153 /nfs/dbraw/zinc/82/21/53/923822153.db2.gz GXCBUTDIACUNAA-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292945 923822157 /nfs/dbraw/zinc/82/21/57/923822157.db2.gz GXCBUTDIACUNAA-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001391300277 923822439 /nfs/dbraw/zinc/82/24/39/923822439.db2.gz UMJYMDSATVQKJZ-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)CNC(=O)Cn1ncnn1 ZINC001391261444 923822469 /nfs/dbraw/zinc/82/24/69/923822469.db2.gz URXNOKIILFUROU-JTQLQIEISA-N 1 1 320.357 -1.253 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC001391256392 923823091 /nfs/dbraw/zinc/82/30/91/923823091.db2.gz RZKJDVODVNGYLD-PHIMTYICSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001391256392 923823101 /nfs/dbraw/zinc/82/31/01/923823101.db2.gz RZKJDVODVNGYLD-PHIMTYICSA-N 1 1 305.400 -1.143 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001391300281 923823234 /nfs/dbraw/zinc/82/32/34/923823234.db2.gz UMJYMDSATVQKJZ-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001391324723 923824699 /nfs/dbraw/zinc/82/46/99/923824699.db2.gz HJPPEKVCDSNWGL-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001391319653 923826352 /nfs/dbraw/zinc/82/63/52/923826352.db2.gz NVIGTNBTYJPCMT-VHSXEESVSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001391312833 923826820 /nfs/dbraw/zinc/82/68/20/923826820.db2.gz AGNFUFYISPRSMH-PWSUYJOCSA-N 1 1 323.397 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CNC(=O)NC)C1 ZINC001391314031 923826914 /nfs/dbraw/zinc/82/69/14/923826914.db2.gz VQBFPPLBVYVIPO-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001391350940 923827953 /nfs/dbraw/zinc/82/79/53/923827953.db2.gz BNHWPDWLKDMNJC-MRVPVSSYSA-N 1 1 324.345 -2.201 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001391347975 923828908 /nfs/dbraw/zinc/82/89/08/923828908.db2.gz LKPIAMCXZIHLLD-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001391347971 923829070 /nfs/dbraw/zinc/82/90/70/923829070.db2.gz LKPIAMCXZIHLLD-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001391348468 923829661 /nfs/dbraw/zinc/82/96/61/923829661.db2.gz SBJWHVGMWPIKNR-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391346263 923829913 /nfs/dbraw/zinc/82/99/13/923829913.db2.gz BMRIICJWVRRDTF-MNOVXSKESA-N 1 1 309.374 -1.283 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001391386528 923833097 /nfs/dbraw/zinc/83/30/97/923833097.db2.gz ADHWCYBDEWAUQH-IHRRRGAJSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001391402813 923833347 /nfs/dbraw/zinc/83/33/47/923833347.db2.gz OWFOSKYZRDMJGM-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)CC[N@H+]1C ZINC001391418429 923834983 /nfs/dbraw/zinc/83/49/83/923834983.db2.gz DZACIYILBYEWNB-ZYHUDNBSSA-N 1 1 318.443 -1.324 20 0 DAADMO Cc1nn(CC(=O)NC2C[NH+](CCC[C@H](C)O)C2)c(=O)n1C ZINC001391453273 923839491 /nfs/dbraw/zinc/83/94/91/923839491.db2.gz VUVMMACKWDJJNK-JTQLQIEISA-N 1 1 311.386 -1.148 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1)OC ZINC001391446248 923840164 /nfs/dbraw/zinc/84/01/64/923840164.db2.gz GIKYIJAJISBDQB-NSHDSACASA-N 1 1 322.431 -1.392 20 0 DAADMO O=C(CCn1cncn1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001391474254 923843256 /nfs/dbraw/zinc/84/32/56/923843256.db2.gz NLMCBIWPUOABQV-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CCn1cnnn1)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001391509758 923849124 /nfs/dbraw/zinc/84/91/24/923849124.db2.gz CWKWPEGUUOCTCM-UHFFFAOYSA-N 1 1 321.385 -1.363 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001391509510 923849727 /nfs/dbraw/zinc/84/97/27/923849727.db2.gz HQCVGEZIKXTHJP-GFCCVEGCSA-N 1 1 319.369 -1.347 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001391509890 923850003 /nfs/dbraw/zinc/85/00/03/923850003.db2.gz GEDHSFVSUBFRPD-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)C[C@H]3CCC(=O)N3)C2)C1=O ZINC001391505486 923850646 /nfs/dbraw/zinc/85/06/46/923850646.db2.gz CAEIXUFSLXZOOO-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 ZINC001391533948 923852053 /nfs/dbraw/zinc/85/20/53/923852053.db2.gz DXHKQRUOJVCRNF-GARJFASQSA-N 1 1 308.338 -1.324 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(N)=O)C1 ZINC001391535089 923853930 /nfs/dbraw/zinc/85/39/30/923853930.db2.gz HHEMCDZUZVRLAH-SRVKXCTJSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001391541166 923855704 /nfs/dbraw/zinc/85/57/04/923855704.db2.gz WRLMCSJMGNVUPP-UWVGGRQHSA-N 1 1 308.342 -1.343 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001391541166 923855712 /nfs/dbraw/zinc/85/57/12/923855712.db2.gz WRLMCSJMGNVUPP-UWVGGRQHSA-N 1 1 308.342 -1.343 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001391538621 923857533 /nfs/dbraw/zinc/85/75/33/923857533.db2.gz YQERIDSSRWUTBV-FIQHERPVSA-N 1 1 312.370 -1.698 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001391591175 923858634 /nfs/dbraw/zinc/85/86/34/923858634.db2.gz GSLWJWSDLRBZPZ-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001391575326 923858867 /nfs/dbraw/zinc/85/88/67/923858867.db2.gz ARODSBQYFDRBLC-ZYHUDNBSSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001391575326 923858872 /nfs/dbraw/zinc/85/88/72/923858872.db2.gz ARODSBQYFDRBLC-ZYHUDNBSSA-N 1 1 319.365 -1.124 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001391578181 923859031 /nfs/dbraw/zinc/85/90/31/923859031.db2.gz YBVSBULIJWGXPY-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001391578181 923859053 /nfs/dbraw/zinc/85/90/53/923859053.db2.gz YBVSBULIJWGXPY-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391592817 923860015 /nfs/dbraw/zinc/86/00/15/923860015.db2.gz QXBZWDVHIDKPQK-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391592817 923860028 /nfs/dbraw/zinc/86/00/28/923860028.db2.gz QXBZWDVHIDKPQK-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001391578544 923860744 /nfs/dbraw/zinc/86/07/44/923860744.db2.gz OYSKJEBTCACHSQ-SECBINFHSA-N 1 1 322.387 -1.918 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001391578544 923860760 /nfs/dbraw/zinc/86/07/60/923860760.db2.gz OYSKJEBTCACHSQ-SECBINFHSA-N 1 1 322.387 -1.918 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391564041 923861540 /nfs/dbraw/zinc/86/15/40/923861540.db2.gz KPBWZARBBCDYPQ-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO CN(C(=O)CCn1ccnn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391610639 923863183 /nfs/dbraw/zinc/86/31/83/923863183.db2.gz BEAHTBALESVRJG-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO CN(C(=O)CCn1ccnn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391610639 923863198 /nfs/dbraw/zinc/86/31/98/923863198.db2.gz BEAHTBALESVRJG-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001391611388 923863870 /nfs/dbraw/zinc/86/38/70/923863870.db2.gz ODJOIRZELCLFDE-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391621572 923864094 /nfs/dbraw/zinc/86/40/94/923864094.db2.gz MEYCTSCFJPZYBV-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001391605662 923864473 /nfs/dbraw/zinc/86/44/73/923864473.db2.gz ZXVDGXTVPWWEQB-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391618953 923865577 /nfs/dbraw/zinc/86/55/77/923865577.db2.gz HMRXVNVKVVTXGF-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001391608476 923866009 /nfs/dbraw/zinc/86/60/09/923866009.db2.gz HSCXFKBHILPEKK-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391628356 923867164 /nfs/dbraw/zinc/86/71/64/923867164.db2.gz FGPDCZMRGLWKKJ-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391628348 923867954 /nfs/dbraw/zinc/86/79/54/923867954.db2.gz FGPDCZMRGLWKKJ-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001391650284 923868948 /nfs/dbraw/zinc/86/89/48/923868948.db2.gz OOSFRTXHUNOHLW-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391650284 923868966 /nfs/dbraw/zinc/86/89/66/923868966.db2.gz OOSFRTXHUNOHLW-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@H]1CC[N@@H+](CCO)C1 ZINC001391639244 923869290 /nfs/dbraw/zinc/86/92/90/923869290.db2.gz FTZJBMKZWVYRJL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001391702187 923872050 /nfs/dbraw/zinc/87/20/50/923872050.db2.gz VFVXAUOWYCANIS-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)Cn2ncn(C)c2=O)o1 ZINC001391918685 923884547 /nfs/dbraw/zinc/88/45/47/923884547.db2.gz KWUOSAGZFWIWIM-VIFPVBQESA-N 1 1 323.357 -1.185 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391940839 923885527 /nfs/dbraw/zinc/88/55/27/923885527.db2.gz WAVFGEVSKWRCBQ-GXSJLCMTSA-N 1 1 311.390 -1.033 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN([C@H]2CCNC2=O)CCO1 ZINC001391989775 923898604 /nfs/dbraw/zinc/89/86/04/923898604.db2.gz LTHLYARLXLFYGN-STQMWFEESA-N 1 1 321.381 -1.103 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001392006339 923907239 /nfs/dbraw/zinc/90/72/39/923907239.db2.gz VKQNBYCTXNVMRO-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1nccc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392036258 923916674 /nfs/dbraw/zinc/91/66/74/923916674.db2.gz IGZRGTUXEBJVNO-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2nccnc2N)C1 ZINC001392044857 923918723 /nfs/dbraw/zinc/91/87/23/923918723.db2.gz XEOBCAFRFAAURW-UWVGGRQHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2nccnc2N)C1 ZINC001392044851 923919752 /nfs/dbraw/zinc/91/97/52/923919752.db2.gz XEOBCAFRFAAURW-NXEZZACHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001392091596 923929215 /nfs/dbraw/zinc/92/92/15/923929215.db2.gz DMOAHHFWBGJZAP-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001392093886 923929497 /nfs/dbraw/zinc/92/94/97/923929497.db2.gz NVEVHKZFSBOHLR-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001392093883 923929511 /nfs/dbraw/zinc/92/95/11/923929511.db2.gz NVEVHKZFSBOHLR-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392095897 923930581 /nfs/dbraw/zinc/93/05/81/923930581.db2.gz VTLPMMDSZHWJJK-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392098371 923931610 /nfs/dbraw/zinc/93/16/10/923931610.db2.gz KAAYGZWNDQCZRZ-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1nccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392096283 923931658 /nfs/dbraw/zinc/93/16/58/923931658.db2.gz DBJDEQOBZVNRRW-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392098362 923932234 /nfs/dbraw/zinc/93/22/34/923932234.db2.gz KAAYGZWNDQCZRZ-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001392108381 923934049 /nfs/dbraw/zinc/93/40/49/923934049.db2.gz DZIZYYDYGYODJE-HUBLWGQQSA-N 1 1 313.398 -1.044 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001392108395 923934392 /nfs/dbraw/zinc/93/43/92/923934392.db2.gz DZIZYYDYGYODJE-ZOWXZIJZSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392101610 923935207 /nfs/dbraw/zinc/93/52/07/923935207.db2.gz BASVUBUYFPUUNY-WPRPVWTQSA-N 1 1 323.357 -1.650 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392152154 923944300 /nfs/dbraw/zinc/94/43/00/923944300.db2.gz NQMIFOAZEVXKAE-GXSJLCMTSA-N 1 1 324.385 -1.338 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392147445 923945250 /nfs/dbraw/zinc/94/52/50/923945250.db2.gz UJNUGTJSJMGGFA-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001392204543 923949571 /nfs/dbraw/zinc/94/95/71/923949571.db2.gz JAQUXLYUOXXJNT-NSHDSACASA-N 1 1 307.362 -1.268 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392264007 923953909 /nfs/dbraw/zinc/95/39/09/923953909.db2.gz QSFZTJOCWSWEQG-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392264007 923953920 /nfs/dbraw/zinc/95/39/20/923953920.db2.gz QSFZTJOCWSWEQG-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CN(C)C(=O)COC ZINC001392278255 923954270 /nfs/dbraw/zinc/95/42/70/923954270.db2.gz HFGUKCDOBANUIS-NSHDSACASA-N 1 1 316.402 -1.384 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CN(C)C(=O)COC ZINC001392278255 923954277 /nfs/dbraw/zinc/95/42/77/923954277.db2.gz HFGUKCDOBANUIS-NSHDSACASA-N 1 1 316.402 -1.384 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001392290880 923954629 /nfs/dbraw/zinc/95/46/29/923954629.db2.gz SJCCNPQQUJLYKP-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001392290880 923954652 /nfs/dbraw/zinc/95/46/52/923954652.db2.gz SJCCNPQQUJLYKP-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001392273186 923955179 /nfs/dbraw/zinc/95/51/79/923955179.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001392273186 923955194 /nfs/dbraw/zinc/95/51/94/923955194.db2.gz RSRLLGNDIMMARV-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001392280915 923955522 /nfs/dbraw/zinc/95/55/22/923955522.db2.gz YGSBGLFRLOPGLX-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001392280915 923955533 /nfs/dbraw/zinc/95/55/33/923955533.db2.gz YGSBGLFRLOPGLX-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001392273188 923956277 /nfs/dbraw/zinc/95/62/77/923956277.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001392273188 923956289 /nfs/dbraw/zinc/95/62/89/923956289.db2.gz RSRLLGNDIMMARV-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001392298499 923958741 /nfs/dbraw/zinc/95/87/41/923958741.db2.gz ACWXPVWQYHEBRV-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001392298499 923958755 /nfs/dbraw/zinc/95/87/55/923958755.db2.gz ACWXPVWQYHEBRV-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001392305711 923959868 /nfs/dbraw/zinc/95/98/68/923959868.db2.gz FLOVFEUOLUVNJX-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001392305711 923959876 /nfs/dbraw/zinc/95/98/76/923959876.db2.gz FLOVFEUOLUVNJX-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001392293001 923960264 /nfs/dbraw/zinc/96/02/64/923960264.db2.gz SZJSCIJMIONCRD-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001392293001 923960279 /nfs/dbraw/zinc/96/02/79/923960279.db2.gz SZJSCIJMIONCRD-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392325107 923962212 /nfs/dbraw/zinc/96/22/12/923962212.db2.gz HQESWHYPYQQHMR-QMMMGPOBSA-N 1 1 311.342 -1.637 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392325107 923962222 /nfs/dbraw/zinc/96/22/22/923962222.db2.gz HQESWHYPYQQHMR-QMMMGPOBSA-N 1 1 311.342 -1.637 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001392339991 923962377 /nfs/dbraw/zinc/96/23/77/923962377.db2.gz PDCUFQDLYZSXOW-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001392339988 923963096 /nfs/dbraw/zinc/96/30/96/923963096.db2.gz PDCUFQDLYZSXOW-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001392336672 923963652 /nfs/dbraw/zinc/96/36/52/923963652.db2.gz ZKGHNLDGRZDUMJ-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001392336672 923963661 /nfs/dbraw/zinc/96/36/61/923963661.db2.gz ZKGHNLDGRZDUMJ-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1)S(C)(=O)=O ZINC001392346861 923965771 /nfs/dbraw/zinc/96/57/71/923965771.db2.gz YUIUZZRYUYYHNJ-RYUDHWBXSA-N 1 1 319.427 -1.207 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2=COCCO2)nn1 ZINC001392345804 923966037 /nfs/dbraw/zinc/96/60/37/923966037.db2.gz GRKPXBSDWUOFJF-LLVKDONJSA-N 1 1 311.342 -1.247 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001392344931 923966353 /nfs/dbraw/zinc/96/63/53/923966353.db2.gz GQFJTHCGFZMVGP-VIFPVBQESA-N 1 1 311.346 -2.601 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)[nH]1 ZINC001392347637 923966761 /nfs/dbraw/zinc/96/67/61/923966761.db2.gz YKKYJIFRZLGCIN-PSASIEDQSA-N 1 1 312.374 -1.369 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392354952 923969687 /nfs/dbraw/zinc/96/96/87/923969687.db2.gz VHHPBVYIQZJRHW-NSHDSACASA-N 1 1 307.354 -1.334 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392352912 923969728 /nfs/dbraw/zinc/96/97/28/923969728.db2.gz ZJUHJBOVCHHOQS-VIFPVBQESA-N 1 1 301.372 -1.417 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001392355228 923969788 /nfs/dbraw/zinc/96/97/88/923969788.db2.gz KMKZPEDUCLAGKA-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392351840 923970210 /nfs/dbraw/zinc/97/02/10/923970210.db2.gz HUAKYCLXMOWORG-ZJUUUORDSA-N 1 1 317.411 -1.396 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001392356900 923971560 /nfs/dbraw/zinc/97/15/60/923971560.db2.gz QGKBSKDOEMJIFC-ZJUUUORDSA-N 1 1 311.342 -1.040 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1)c1nncn1C ZINC001392360964 923971986 /nfs/dbraw/zinc/97/19/86/923971986.db2.gz ADIXHKVYHQZZOP-MWLCHTKSSA-N 1 1 307.358 -1.091 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392358013 923972070 /nfs/dbraw/zinc/97/20/70/923972070.db2.gz AQJJJFCCEPKLPC-ZJUUUORDSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1)c1nncn1C ZINC001392360966 923973364 /nfs/dbraw/zinc/97/33/64/923973364.db2.gz ADIXHKVYHQZZOP-ONGXEEELSA-N 1 1 307.358 -1.091 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001392362452 923975033 /nfs/dbraw/zinc/97/50/33/923975033.db2.gz DVVOMUJWLCIKTB-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)no1 ZINC001392362361 923975206 /nfs/dbraw/zinc/97/52/06/923975206.db2.gz FFCQRUWRAYDKTJ-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001392361955 923975470 /nfs/dbraw/zinc/97/54/70/923975470.db2.gz DBNUKMLNFVDJSB-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1ncoc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392362596 923975491 /nfs/dbraw/zinc/97/54/91/923975491.db2.gz GFDCTAAUZIYUBZ-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392361186 923975971 /nfs/dbraw/zinc/97/59/71/923975971.db2.gz YDJUAIYRUMPZOE-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001392363222 923976034 /nfs/dbraw/zinc/97/60/34/923976034.db2.gz BYXGDIDFDGSXHY-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)c1C ZINC001392368004 923977851 /nfs/dbraw/zinc/97/78/51/923977851.db2.gz UMOVNDCWMYUZDL-NXEZZACHSA-N 1 1 322.373 -1.008 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392366879 923979258 /nfs/dbraw/zinc/97/92/58/923979258.db2.gz QQLKKTAWJZQJDD-BDAKNGLRSA-N 1 1 313.362 -2.136 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1 ZINC001392370568 923982729 /nfs/dbraw/zinc/98/27/29/923982729.db2.gz VGJTVBQBIMRZAE-NSHDSACASA-N 1 1 313.358 -1.131 20 0 DAADMO CCn1ncnc1CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392368418 923982990 /nfs/dbraw/zinc/98/29/90/923982990.db2.gz VFWRMUKFOBQSAS-VXGBXAGGSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001392370670 923983112 /nfs/dbraw/zinc/98/31/12/923983112.db2.gz ZYBOKDNAFZNZRQ-BDAKNGLRSA-N 1 1 312.330 -2.027 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nccs1)[C@@H]1COC(=O)N1 ZINC001392370655 923983200 /nfs/dbraw/zinc/98/32/00/923983200.db2.gz ZTJSLQZKLNYFCJ-YUMQZZPRSA-N 1 1 300.340 -1.182 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001392371302 923984759 /nfs/dbraw/zinc/98/47/59/923984759.db2.gz DMRAOPRDRWXXTK-VIFPVBQESA-N 1 1 321.341 -1.716 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)o1 ZINC001392370983 923985915 /nfs/dbraw/zinc/98/59/15/923985915.db2.gz BFXYSGRDBNVRSO-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)c(C)o1 ZINC001392373281 923986108 /nfs/dbraw/zinc/98/61/08/923986108.db2.gz IIFYAZCTUHATQY-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001392374824 923986586 /nfs/dbraw/zinc/98/65/86/923986586.db2.gz DTEXQMFFMRYWLS-CYBMUJFWSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1 ZINC001392375997 923988306 /nfs/dbraw/zinc/98/83/06/923988306.db2.gz FFZNEWJZXXPUDX-GXSJLCMTSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001392376005 923989332 /nfs/dbraw/zinc/98/93/32/923989332.db2.gz NMWYYTSXERBLIT-SNVBAGLBSA-N 1 1 323.397 -1.356 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1 ZINC001392376032 923989432 /nfs/dbraw/zinc/98/94/32/923989432.db2.gz FFZNEWJZXXPUDX-ONGXEEELSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O)c1nncn1C ZINC001392380206 923992738 /nfs/dbraw/zinc/99/27/38/923992738.db2.gz GSASFQXZIKKVBO-DTWKUNHWSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O)c1nncn1C ZINC001392380204 923993695 /nfs/dbraw/zinc/99/36/95/923993695.db2.gz GSASFQXZIKKVBO-BDAKNGLRSA-N 1 1 321.341 -1.248 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001392384897 923995211 /nfs/dbraw/zinc/99/52/11/923995211.db2.gz IDZZPSTUGYCKNZ-SNVBAGLBSA-N 1 1 321.341 -2.211 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)CC1=O ZINC001392382834 923995950 /nfs/dbraw/zinc/99/59/50/923995950.db2.gz SNVFCRAFYBYBEU-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1C ZINC001392382971 923995996 /nfs/dbraw/zinc/99/59/96/923995996.db2.gz DCJYERCJCWOEBU-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392381783 923996015 /nfs/dbraw/zinc/99/60/15/923996015.db2.gz WORBZQAHHXJGMG-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001392383106 923996120 /nfs/dbraw/zinc/99/61/20/923996120.db2.gz DVOFWMGGINVUTL-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cncn1C ZINC001392382379 923996227 /nfs/dbraw/zinc/99/62/27/923996227.db2.gz CRTVRLLQVIZALI-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001392382352 923996889 /nfs/dbraw/zinc/99/68/89/923996889.db2.gz COPHFEVQGIRKJI-NSHDSACASA-N 1 1 307.310 -1.351 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cncn1C)c1nncn1C ZINC001392386766 923997742 /nfs/dbraw/zinc/99/77/42/923997742.db2.gz KTNATIYNHXDAIP-ZJUUUORDSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1C ZINC001392388102 923998491 /nfs/dbraw/zinc/99/84/91/923998491.db2.gz CCHSUGUSQMDLHD-WPRPVWTQSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)[nH]1 ZINC001392385715 923999232 /nfs/dbraw/zinc/99/92/32/923999232.db2.gz IZBILEORGFLEGK-QWRGUYRKSA-N 1 1 324.385 -1.261 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n1C ZINC001392388081 923999600 /nfs/dbraw/zinc/99/96/00/923999600.db2.gz CCHSUGUSQMDLHD-PSASIEDQSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cncn1C)c1nncn1C ZINC001392386182 923999896 /nfs/dbraw/zinc/99/98/96/923999896.db2.gz KTNATIYNHXDAIP-UWVGGRQHSA-N 1 1 307.358 -1.010 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001392386567 923999912 /nfs/dbraw/zinc/99/99/12/923999912.db2.gz MCAKKHXXRCVREI-GHMZBOCLSA-N 1 1 324.385 -1.559 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392385259 923999995 /nfs/dbraw/zinc/99/99/95/923999995.db2.gz XOMFYJHPTWMCCZ-CHWSQXEVSA-N 1 1 312.370 -1.038 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001392390991 924001830 /nfs/dbraw/zinc/00/18/30/924001830.db2.gz SZBBNORQQRSNBQ-VIFPVBQESA-N 1 1 309.370 -1.333 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389792 924002015 /nfs/dbraw/zinc/00/20/15/924002015.db2.gz OZIIKRYTVAUBJB-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO COc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392389124 924002189 /nfs/dbraw/zinc/00/21/89/924002189.db2.gz MOQFKSJEZQEWIL-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001392391764 924002578 /nfs/dbraw/zinc/00/25/78/924002578.db2.gz RCEBBWTVKRCFLE-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)n1 ZINC001392390014 924003042 /nfs/dbraw/zinc/00/30/42/924003042.db2.gz PIFWWFGIYRXZSP-SMDDNHRTSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cnc2n1CCOC2 ZINC001392392925 924006650 /nfs/dbraw/zinc/00/66/50/924006650.db2.gz YPEILCHTENWXLM-JTQLQIEISA-N 1 1 322.325 -1.323 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392394666 924007130 /nfs/dbraw/zinc/00/71/30/924007130.db2.gz SAYUISRJLAYOMJ-LLVKDONJSA-N 1 1 322.369 -2.525 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)on1 ZINC001392396079 924009599 /nfs/dbraw/zinc/00/95/99/924009599.db2.gz WUOQYPSMIQRXMK-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2ncnn2C)C1 ZINC001392401565 924011922 /nfs/dbraw/zinc/01/19/22/924011922.db2.gz MDUMNSAOZXBQSC-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001392407912 924016198 /nfs/dbraw/zinc/01/61/98/924016198.db2.gz CBJNDSIBSPFVSG-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001392413350 924019011 /nfs/dbraw/zinc/01/90/11/924019011.db2.gz RPNUFKRRARDEBJ-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccnnc1)c1nnnn1C ZINC001392411159 924020616 /nfs/dbraw/zinc/02/06/16/924020616.db2.gz YSBFOJMQDLQYIA-WPRPVWTQSA-N 1 1 306.330 -1.558 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)COc1cccnc1 ZINC001392412880 924021430 /nfs/dbraw/zinc/02/14/30/924021430.db2.gz YOPLNJGGCRHQOF-LLVKDONJSA-N 1 1 320.353 -1.144 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001392418334 924024663 /nfs/dbraw/zinc/02/46/63/924024663.db2.gz DHIAHWCRSKIVGW-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392422277 924025043 /nfs/dbraw/zinc/02/50/43/924025043.db2.gz HTPMXUZFCBYZCM-ZETCQYMHSA-N 1 1 323.400 -2.346 20 0 DAADMO Cn1nnnc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392417068 924025281 /nfs/dbraw/zinc/02/52/81/924025281.db2.gz BXOXBXVFJHNLKD-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCCS1(=O)=O ZINC001392417683 924025328 /nfs/dbraw/zinc/02/53/28/924025328.db2.gz CSMIYJOZFRJIEI-MNOVXSKESA-N 1 1 317.367 -1.182 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1C ZINC001392425620 924028449 /nfs/dbraw/zinc/02/84/49/924028449.db2.gz IZCSVCYATYRGEM-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)c1 ZINC001392427676 924028542 /nfs/dbraw/zinc/02/85/42/924028542.db2.gz UXKGMAWSAVHKBA-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392432664 924029452 /nfs/dbraw/zinc/02/94/52/924029452.db2.gz VFCKZABMYFEXSE-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)N(C)C ZINC001392431470 924029591 /nfs/dbraw/zinc/02/95/91/924029591.db2.gz WPLUOXGITZSXNR-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)N(C)C ZINC001392431475 924030831 /nfs/dbraw/zinc/03/08/31/924030831.db2.gz WPLUOXGITZSXNR-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN(C)S(C)(=O)=O ZINC001392487729 924036611 /nfs/dbraw/zinc/03/66/11/924036611.db2.gz PAQPCJCSZZWYRK-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001392488142 924037203 /nfs/dbraw/zinc/03/72/03/924037203.db2.gz ANOOTEKRMUREPN-RKDXNWHRSA-N 1 1 322.373 -1.136 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)CN1CCNC(=O)C1 ZINC001392499598 924040627 /nfs/dbraw/zinc/04/06/27/924040627.db2.gz BWWXFYFOFOTFLQ-SECBINFHSA-N 1 1 312.399 -1.436 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001392511051 924042664 /nfs/dbraw/zinc/04/26/64/924042664.db2.gz LFCSNMISVIAJMT-ADEWGFFLSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001392511264 924043593 /nfs/dbraw/zinc/04/35/93/924043593.db2.gz FQCDRWMWWCEFNR-HTQZYQBOSA-N 1 1 305.360 -1.398 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ncn[nH]1 ZINC001392515741 924043614 /nfs/dbraw/zinc/04/36/14/924043614.db2.gz KISAMHIWNPVQJX-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1nc[nH]n1 ZINC001392515741 924043623 /nfs/dbraw/zinc/04/36/23/924043623.db2.gz KISAMHIWNPVQJX-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392527791 924043949 /nfs/dbraw/zinc/04/39/49/924043949.db2.gz QWHANWMIIMHUPC-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CCn2cnnn2)n1 ZINC001392522420 924044018 /nfs/dbraw/zinc/04/40/18/924044018.db2.gz WBXJPDJUJLAVTQ-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001392532405 924046585 /nfs/dbraw/zinc/04/65/85/924046585.db2.gz GSLNHLQFDNWDPE-NXEZZACHSA-N 1 1 315.399 -1.013 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)nn1C ZINC001392572613 924052254 /nfs/dbraw/zinc/05/22/54/924052254.db2.gz GYAMCZNRMYVZDT-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001392572536 924053405 /nfs/dbraw/zinc/05/34/05/924053405.db2.gz RBZKCYJYBOTWJV-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cn(C)nn1 ZINC001392642342 924057378 /nfs/dbraw/zinc/05/73/78/924057378.db2.gz RRHFADMVYFVJAC-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cn(C)nn1 ZINC001392642342 924057387 /nfs/dbraw/zinc/05/73/87/924057387.db2.gz RRHFADMVYFVJAC-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392641731 924057685 /nfs/dbraw/zinc/05/76/85/924057685.db2.gz IEPZGCJFRNHOGG-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO Cc1cnn(CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001392646113 924058521 /nfs/dbraw/zinc/05/85/21/924058521.db2.gz WUBJNFHDARBDQF-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001392646113 924058529 /nfs/dbraw/zinc/05/85/29/924058529.db2.gz WUBJNFHDARBDQF-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392641729 924058744 /nfs/dbraw/zinc/05/87/44/924058744.db2.gz IEPZGCJFRNHOGG-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1COC(=O)C1 ZINC001392638287 924059143 /nfs/dbraw/zinc/05/91/43/924059143.db2.gz BNUSWXWCSUVCEU-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1COC(=O)C1 ZINC001392638287 924059159 /nfs/dbraw/zinc/05/91/59/924059159.db2.gz BNUSWXWCSUVCEU-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001392644754 924059465 /nfs/dbraw/zinc/05/94/65/924059465.db2.gz WJGXFGIIVDQADX-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001392644754 924059478 /nfs/dbraw/zinc/05/94/78/924059478.db2.gz WJGXFGIIVDQADX-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660009 924060881 /nfs/dbraw/zinc/06/08/81/924060881.db2.gz KWDBCAHWPJMLOQ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660009 924060892 /nfs/dbraw/zinc/06/08/92/924060892.db2.gz KWDBCAHWPJMLOQ-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001392659958 924061891 /nfs/dbraw/zinc/06/18/91/924061891.db2.gz WZBKMELFLBEQMV-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001392659958 924061903 /nfs/dbraw/zinc/06/19/03/924061903.db2.gz WZBKMELFLBEQMV-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001392659954 924061930 /nfs/dbraw/zinc/06/19/30/924061930.db2.gz WZBKMELFLBEQMV-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001392659954 924061943 /nfs/dbraw/zinc/06/19/43/924061943.db2.gz WZBKMELFLBEQMV-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648606 924062038 /nfs/dbraw/zinc/06/20/38/924062038.db2.gz UWISWMMBYCTKIB-DTWKUNHWSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648606 924062047 /nfs/dbraw/zinc/06/20/47/924062047.db2.gz UWISWMMBYCTKIB-DTWKUNHWSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660007 924062512 /nfs/dbraw/zinc/06/25/12/924062512.db2.gz KWDBCAHWPJMLOQ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660007 924062523 /nfs/dbraw/zinc/06/25/23/924062523.db2.gz KWDBCAHWPJMLOQ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660004 924062599 /nfs/dbraw/zinc/06/25/99/924062599.db2.gz KWDBCAHWPJMLOQ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001392660004 924062612 /nfs/dbraw/zinc/06/26/12/924062612.db2.gz KWDBCAHWPJMLOQ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659456 924063006 /nfs/dbraw/zinc/06/30/06/924063006.db2.gz DIMVUAPHDKZHLA-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659456 924063017 /nfs/dbraw/zinc/06/30/17/924063017.db2.gz DIMVUAPHDKZHLA-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001392654283 924063545 /nfs/dbraw/zinc/06/35/45/924063545.db2.gz AQFASVHGNJPMLX-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001392654283 924063550 /nfs/dbraw/zinc/06/35/50/924063550.db2.gz AQFASVHGNJPMLX-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1COCCN1CC(F)F ZINC001392691609 924064601 /nfs/dbraw/zinc/06/46/01/924064601.db2.gz ZFAATKNJHYXWEW-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1COCCN1CC(F)F ZINC001392691609 924064609 /nfs/dbraw/zinc/06/46/09/924064609.db2.gz ZFAATKNJHYXWEW-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392690710 924064634 /nfs/dbraw/zinc/06/46/34/924064634.db2.gz QESPYRDDMGFUPF-UWVGGRQHSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392673096 924064694 /nfs/dbraw/zinc/06/46/94/924064694.db2.gz OKMXETCJDMYNPD-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO COc1nccc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001392680855 924064883 /nfs/dbraw/zinc/06/48/83/924064883.db2.gz YFNFCSIIXGOAJG-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1nccc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001392680855 924064893 /nfs/dbraw/zinc/06/48/93/924064893.db2.gz YFNFCSIIXGOAJG-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392676841 924066894 /nfs/dbraw/zinc/06/68/94/924066894.db2.gz WOVLOALTPKJWLJ-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392676841 924066909 /nfs/dbraw/zinc/06/69/09/924066909.db2.gz WOVLOALTPKJWLJ-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392700605 924069107 /nfs/dbraw/zinc/06/91/07/924069107.db2.gz DSBZHWAMGGBCLJ-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392700605 924069118 /nfs/dbraw/zinc/06/91/18/924069118.db2.gz DSBZHWAMGGBCLJ-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716406 924069488 /nfs/dbraw/zinc/06/94/88/924069488.db2.gz LDGQYYYUQFHQIL-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CS(=O)(=O)N(C)C ZINC001392716406 924069510 /nfs/dbraw/zinc/06/95/10/924069510.db2.gz LDGQYYYUQFHQIL-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704296 924070204 /nfs/dbraw/zinc/07/02/04/924070204.db2.gz BLTQOVBMEZKZAN-MNOVXSKESA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001392704296 924070211 /nfs/dbraw/zinc/07/02/11/924070211.db2.gz BLTQOVBMEZKZAN-MNOVXSKESA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392700706 924071015 /nfs/dbraw/zinc/07/10/15/924071015.db2.gz ILHWIWTWPSTFRY-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392700706 924071025 /nfs/dbraw/zinc/07/10/25/924071025.db2.gz ILHWIWTWPSTFRY-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001392724082 924071961 /nfs/dbraw/zinc/07/19/61/924071961.db2.gz FHLFANNOAWEEIA-WDEREUQCSA-N 1 1 314.386 -1.219 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392718009 924072207 /nfs/dbraw/zinc/07/22/07/924072207.db2.gz FEDPBWYDUQMMDB-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392718009 924072225 /nfs/dbraw/zinc/07/22/25/924072225.db2.gz FEDPBWYDUQMMDB-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392727710 924072270 /nfs/dbraw/zinc/07/22/70/924072270.db2.gz AJAPBQAIGQRBBQ-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392727710 924072284 /nfs/dbraw/zinc/07/22/84/924072284.db2.gz AJAPBQAIGQRBBQ-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCCNC1=O ZINC001392729752 924072618 /nfs/dbraw/zinc/07/26/18/924072618.db2.gz CLXFWIBRQPXZTE-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392735553 924072898 /nfs/dbraw/zinc/07/28/98/924072898.db2.gz GFSFBWSUQAUFGW-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001392732311 924072945 /nfs/dbraw/zinc/07/29/45/924072945.db2.gz IPSAEUYALMTTPC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001392732311 924072965 /nfs/dbraw/zinc/07/29/65/924072965.db2.gz IPSAEUYALMTTPC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(C)n1 ZINC001392723354 924073675 /nfs/dbraw/zinc/07/36/75/924073675.db2.gz IWCYKWCOKYMGJX-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(C)n1 ZINC001392723354 924073692 /nfs/dbraw/zinc/07/36/92/924073692.db2.gz IWCYKWCOKYMGJX-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)CS(C)(=O)=O)C2CC2)n1 ZINC001392764026 924075392 /nfs/dbraw/zinc/07/53/92/924075392.db2.gz NEWPNROXSVJLRO-NSHDSACASA-N 1 1 315.399 -1.156 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](NC(=O)Cn2ncnn2)C2CC2)n1 ZINC001392775093 924077782 /nfs/dbraw/zinc/07/77/82/924077782.db2.gz RPIPCHKCIATCTM-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001392776142 924078403 /nfs/dbraw/zinc/07/84/03/924078403.db2.gz OSZLCNPECUFBBM-VHSXEESVSA-N 1 1 308.342 -1.092 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392811592 924080395 /nfs/dbraw/zinc/08/03/95/924080395.db2.gz JEGDDJMTIVVTCO-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392811592 924080405 /nfs/dbraw/zinc/08/04/05/924080405.db2.gz JEGDDJMTIVVTCO-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001392835309 924082262 /nfs/dbraw/zinc/08/22/62/924082262.db2.gz NNYBPSREEMXCKI-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1)OC ZINC001392828904 924082805 /nfs/dbraw/zinc/08/28/05/924082805.db2.gz AJCAGFWXGJVVGG-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001392835315 924084451 /nfs/dbraw/zinc/08/44/51/924084451.db2.gz NNYBPSREEMXCKI-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001392854267 924084921 /nfs/dbraw/zinc/08/49/21/924084921.db2.gz MDTJGKBSOZWEAA-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001392863755 924088619 /nfs/dbraw/zinc/08/86/19/924088619.db2.gz LCRHMUHSJFKGLA-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001392872901 924088994 /nfs/dbraw/zinc/08/89/94/924088994.db2.gz YHVDACCVRJNOCA-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001392872901 924089016 /nfs/dbraw/zinc/08/90/16/924089016.db2.gz YHVDACCVRJNOCA-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001392866639 924089518 /nfs/dbraw/zinc/08/95/18/924089518.db2.gz JKIYWNJGFXFZLI-NEPJUHHUSA-N 1 1 324.385 -1.507 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001392865930 924090265 /nfs/dbraw/zinc/09/02/65/924090265.db2.gz AJOVKDILRJABJS-GHMZBOCLSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001392863756 924090626 /nfs/dbraw/zinc/09/06/26/924090626.db2.gz LCRHMUHSJFKGLA-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881234 924092028 /nfs/dbraw/zinc/09/20/28/924092028.db2.gz WIFMVCXURMBMEF-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001392881234 924092041 /nfs/dbraw/zinc/09/20/41/924092041.db2.gz WIFMVCXURMBMEF-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392897248 924092400 /nfs/dbraw/zinc/09/24/00/924092400.db2.gz UGBBWQJMBLPKGK-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3ccncn3)CC2)nc1=O ZINC001392944803 924097427 /nfs/dbraw/zinc/09/74/27/924097427.db2.gz XMZURLUWUBDSTL-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@]3(F)CCOC3)CC2)nc1=O ZINC001392929853 924099893 /nfs/dbraw/zinc/09/98/93/924099893.db2.gz SOWDQECJXFENSU-ZDUSSCGKSA-N 1 1 313.333 -1.025 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001392982793 924102045 /nfs/dbraw/zinc/10/20/45/924102045.db2.gz RTIOMPQOALHTLJ-GXTWGEPZSA-N 1 1 324.385 -1.395 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001392952051 924102128 /nfs/dbraw/zinc/10/21/28/924102128.db2.gz VKRIPESBZYLQBP-UHFFFAOYSA-N 1 1 322.369 -1.556 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001392996044 924104521 /nfs/dbraw/zinc/10/45/21/924104521.db2.gz ZLZFRDKJCIPVQL-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001392988456 924105585 /nfs/dbraw/zinc/10/55/85/924105585.db2.gz LKRZTMHXWPZLGL-AWEZNQCLSA-N 1 1 323.397 -1.135 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001393012162 924106972 /nfs/dbraw/zinc/10/69/72/924106972.db2.gz SANWTCPDGNNKSV-JTQLQIEISA-N 1 1 324.403 -2.810 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCn2cnccc2=O)C1 ZINC001393013141 924107326 /nfs/dbraw/zinc/10/73/26/924107326.db2.gz CIHNEDZFRCPHFR-ZDUSSCGKSA-N 1 1 324.381 -1.217 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001393110400 924115642 /nfs/dbraw/zinc/11/56/42/924115642.db2.gz NPNHSRXITOEUGO-HNNXBMFYSA-N 1 1 324.381 -1.226 20 0 DAADMO Cn1cnn(CCC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)c1=O ZINC001393069876 924115707 /nfs/dbraw/zinc/11/57/07/924115707.db2.gz VYRULUOCAWNGNF-UHFFFAOYSA-N 1 1 324.385 -1.572 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393104016 924116445 /nfs/dbraw/zinc/11/64/45/924116445.db2.gz AUOAESBVICOVBD-ZDUSSCGKSA-N 1 1 300.359 -1.795 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393104016 924116456 /nfs/dbraw/zinc/11/64/56/924116456.db2.gz AUOAESBVICOVBD-ZDUSSCGKSA-N 1 1 300.359 -1.795 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CNC(C)=O)C1 ZINC001393095869 924117435 /nfs/dbraw/zinc/11/74/35/924117435.db2.gz RXFQXEVRVWBBQZ-ZDUSSCGKSA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)CNC(C)=O)C1 ZINC001393095869 924117439 /nfs/dbraw/zinc/11/74/39/924117439.db2.gz RXFQXEVRVWBBQZ-ZDUSSCGKSA-N 1 1 313.358 -1.841 20 0 DAADMO CC1(NC(=O)CN2CCCNC2=O)CC[NH+](CC(N)=O)CC1 ZINC001393068439 924117475 /nfs/dbraw/zinc/11/74/75/924117475.db2.gz OQYFQZBDLNKXSS-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cccn2)C1 ZINC001393095681 924117735 /nfs/dbraw/zinc/11/77/35/924117735.db2.gz KDYGZLNGLJSXPG-AWEZNQCLSA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cccn2)C1 ZINC001393095681 924117739 /nfs/dbraw/zinc/11/77/39/924117739.db2.gz KDYGZLNGLJSXPG-AWEZNQCLSA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001393107676 924117775 /nfs/dbraw/zinc/11/77/75/924117775.db2.gz ZZDFNYNRSGPJEK-GXFFZTMASA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121239 924118839 /nfs/dbraw/zinc/11/88/39/924118839.db2.gz LDZJVWVWRKIKIR-CYBMUJFWSA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121239 924118848 /nfs/dbraw/zinc/11/88/48/924118848.db2.gz LDZJVWVWRKIKIR-CYBMUJFWSA-N 1 1 310.358 -1.602 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117047 924119928 /nfs/dbraw/zinc/11/99/28/924119928.db2.gz AANYHIBJAIATFF-QMTHXVAHSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117047 924119934 /nfs/dbraw/zinc/11/99/34/924119934.db2.gz AANYHIBJAIATFF-QMTHXVAHSA-N 1 1 324.385 -1.214 20 0 DAADMO CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001393120395 924120230 /nfs/dbraw/zinc/12/02/30/924120230.db2.gz QWHATTSJOZIGMG-ZWNOBZJWSA-N 1 1 309.374 -1.222 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393235319 924126215 /nfs/dbraw/zinc/12/62/15/924126215.db2.gz BNVKHPKINVMADC-GFCCVEGCSA-N 1 1 302.331 -2.229 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393235319 924126223 /nfs/dbraw/zinc/12/62/23/924126223.db2.gz BNVKHPKINVMADC-GFCCVEGCSA-N 1 1 302.331 -2.229 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393235329 924126712 /nfs/dbraw/zinc/12/67/12/924126712.db2.gz BNVKHPKINVMADC-LBPRGKRZSA-N 1 1 302.331 -2.229 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393235329 924126723 /nfs/dbraw/zinc/12/67/23/924126723.db2.gz BNVKHPKINVMADC-LBPRGKRZSA-N 1 1 302.331 -2.229 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393235777 924126737 /nfs/dbraw/zinc/12/67/37/924126737.db2.gz BBVPNIGISFCLTL-IINYFYTJSA-N 1 1 324.385 -1.446 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393233960 924126766 /nfs/dbraw/zinc/12/67/66/924126766.db2.gz JMAVNQIQDVJPPR-UKRRQHHQSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393233960 924126773 /nfs/dbraw/zinc/12/67/73/924126773.db2.gz JMAVNQIQDVJPPR-UKRRQHHQSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001393232147 924126793 /nfs/dbraw/zinc/12/67/93/924126793.db2.gz DOFKTQFYXUHFBC-HNNXBMFYSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001393232147 924126804 /nfs/dbraw/zinc/12/68/04/924126804.db2.gz DOFKTQFYXUHFBC-HNNXBMFYSA-N 1 1 324.381 -2.092 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393241709 924128876 /nfs/dbraw/zinc/12/88/76/924128876.db2.gz XVOBMXXSSNJNKR-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393241709 924128885 /nfs/dbraw/zinc/12/88/85/924128885.db2.gz XVOBMXXSSNJNKR-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)on1 ZINC001393243241 924129517 /nfs/dbraw/zinc/12/95/17/924129517.db2.gz BUUMBVHFLNZFFI-ISVAXAHUSA-N 1 1 312.326 -1.276 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)on1 ZINC001393243241 924129524 /nfs/dbraw/zinc/12/95/24/924129524.db2.gz BUUMBVHFLNZFFI-ISVAXAHUSA-N 1 1 312.326 -1.276 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001393241203 924129666 /nfs/dbraw/zinc/12/96/66/924129666.db2.gz UFPJYUZOCASDLA-SMDDNHRTSA-N 1 1 310.354 -1.350 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243045 924130248 /nfs/dbraw/zinc/13/02/48/924130248.db2.gz AQXUJVGBFMKLFA-FZMZJTMJSA-N 1 1 324.385 -1.507 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C)nn2C)C1 ZINC001393240123 924130288 /nfs/dbraw/zinc/13/02/88/924130288.db2.gz USWRQVWPIMYBOV-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)nn2C)C1 ZINC001393240123 924130299 /nfs/dbraw/zinc/13/02/99/924130299.db2.gz USWRQVWPIMYBOV-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001393242619 924130990 /nfs/dbraw/zinc/13/09/90/924130990.db2.gz VTCMDKVIBTYIKV-FZMZJTMJSA-N 1 1 312.370 -1.406 20 0 DAADMO CC(C)OCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393239522 924131218 /nfs/dbraw/zinc/13/12/18/924131218.db2.gz TWWFMPZTRXTHOG-ZDUSSCGKSA-N 1 1 316.358 -1.841 20 0 DAADMO CC(C)OCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393239522 924131224 /nfs/dbraw/zinc/13/12/24/924131224.db2.gz TWWFMPZTRXTHOG-ZDUSSCGKSA-N 1 1 316.358 -1.841 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001393242626 924131279 /nfs/dbraw/zinc/13/12/79/924131279.db2.gz VTCMDKVIBTYIKV-SMDDNHRTSA-N 1 1 312.370 -1.406 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244661 924132062 /nfs/dbraw/zinc/13/20/62/924132062.db2.gz UZMAAPCLPRIKOR-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244661 924132079 /nfs/dbraw/zinc/13/20/79/924132079.db2.gz UZMAAPCLPRIKOR-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001393247686 924132677 /nfs/dbraw/zinc/13/26/77/924132677.db2.gz DNNLDLZCZVXEDC-YGRLFVJLSA-N 1 1 307.354 -1.193 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393248296 924133324 /nfs/dbraw/zinc/13/33/24/924133324.db2.gz HYRZNQQODDQBFI-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393248296 924133332 /nfs/dbraw/zinc/13/33/32/924133332.db2.gz HYRZNQQODDQBFI-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001393247684 924133648 /nfs/dbraw/zinc/13/36/48/924133648.db2.gz DNNLDLZCZVXEDC-QMTHXVAHSA-N 1 1 307.354 -1.193 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)c1 ZINC001393245863 924133687 /nfs/dbraw/zinc/13/36/87/924133687.db2.gz CNSZRVDYZPETEQ-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393248480 924134215 /nfs/dbraw/zinc/13/42/15/924134215.db2.gz GZUCUGLFYVWHHZ-OTYXRUKQSA-N 1 1 323.353 -1.521 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393248480 924134224 /nfs/dbraw/zinc/13/42/24/924134224.db2.gz GZUCUGLFYVWHHZ-OTYXRUKQSA-N 1 1 323.353 -1.521 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2ccnc2C1 ZINC001393249320 924134280 /nfs/dbraw/zinc/13/42/80/924134280.db2.gz QOAQPMNOKKJCGP-SWLSCSKDSA-N 1 1 308.382 -1.009 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393247359 924134312 /nfs/dbraw/zinc/13/43/12/924134312.db2.gz BOWIKOYERHQIDR-YGRLFVJLSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393247359 924134316 /nfs/dbraw/zinc/13/43/16/924134316.db2.gz BOWIKOYERHQIDR-YGRLFVJLSA-N 1 1 322.369 -1.788 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244980 924134373 /nfs/dbraw/zinc/13/43/73/924134373.db2.gz TUHNRZXOMNBFMO-YMTOWFKASA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244980 924134376 /nfs/dbraw/zinc/13/43/76/924134376.db2.gz TUHNRZXOMNBFMO-YMTOWFKASA-N 1 1 322.369 -1.640 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393246367 924134447 /nfs/dbraw/zinc/13/44/47/924134447.db2.gz BDYYUQSCJFSSMM-ZANVPECISA-N 1 1 314.342 -2.264 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393246367 924134451 /nfs/dbraw/zinc/13/44/51/924134451.db2.gz BDYYUQSCJFSSMM-ZANVPECISA-N 1 1 314.342 -2.264 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393246344 924134535 /nfs/dbraw/zinc/13/45/35/924134535.db2.gz BDSYIMHTAMQSRM-ZDUSSCGKSA-N 1 1 302.375 -1.759 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393245859 924134543 /nfs/dbraw/zinc/13/45/43/924134543.db2.gz ACNKCUXOMCBGJT-RISCZKNCSA-N 1 1 323.353 -1.419 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393245859 924134547 /nfs/dbraw/zinc/13/45/47/924134547.db2.gz ACNKCUXOMCBGJT-RISCZKNCSA-N 1 1 323.353 -1.419 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001393245225 924134601 /nfs/dbraw/zinc/13/46/01/924134601.db2.gz ITTSCOBRSZVZPH-CYBMUJFWSA-N 1 1 310.358 -2.085 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001393245225 924134607 /nfs/dbraw/zinc/13/46/07/924134607.db2.gz ITTSCOBRSZVZPH-CYBMUJFWSA-N 1 1 310.358 -2.085 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393246340 924134651 /nfs/dbraw/zinc/13/46/51/924134651.db2.gz BDSYIMHTAMQSRM-CYBMUJFWSA-N 1 1 302.375 -1.759 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393251597 924135353 /nfs/dbraw/zinc/13/53/53/924135353.db2.gz SJDNZOCLVRDBLS-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393251597 924135367 /nfs/dbraw/zinc/13/53/67/924135367.db2.gz SJDNZOCLVRDBLS-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393250074 924135606 /nfs/dbraw/zinc/13/56/06/924135606.db2.gz NSFNTSWOGWMYEY-JOYOIKCWSA-N 1 1 309.330 -2.885 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393250074 924135614 /nfs/dbraw/zinc/13/56/14/924135614.db2.gz NSFNTSWOGWMYEY-JOYOIKCWSA-N 1 1 309.330 -2.885 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393251594 924136610 /nfs/dbraw/zinc/13/66/10/924136610.db2.gz SJDNZOCLVRDBLS-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393251594 924136622 /nfs/dbraw/zinc/13/66/22/924136622.db2.gz SJDNZOCLVRDBLS-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001393251360 924136771 /nfs/dbraw/zinc/13/67/71/924136771.db2.gz NZDINAWOLCQWDO-AWEZNQCLSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001393251360 924136785 /nfs/dbraw/zinc/13/67/85/924136785.db2.gz NZDINAWOLCQWDO-AWEZNQCLSA-N 1 1 324.381 -1.076 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(COC)CC2)C1 ZINC001393255196 924137371 /nfs/dbraw/zinc/13/73/71/924137371.db2.gz HOYZVOJDJILKIR-IUODEOHRSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001393253299 924137470 /nfs/dbraw/zinc/13/74/70/924137470.db2.gz NFZQWKBANQYNIK-RISCZKNCSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255307 924137591 /nfs/dbraw/zinc/13/75/91/924137591.db2.gz ZFVLUCFAWUNDJP-LKFCYVNXSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255307 924137595 /nfs/dbraw/zinc/13/75/95/924137595.db2.gz ZFVLUCFAWUNDJP-LKFCYVNXSA-N 1 1 323.353 -2.179 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001393253293 924137611 /nfs/dbraw/zinc/13/76/11/924137611.db2.gz NFZQWKBANQYNIK-FZMZJTMJSA-N 1 1 316.402 -1.107 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393254368 924137764 /nfs/dbraw/zinc/13/77/64/924137764.db2.gz OIDSULADNABJQR-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001393249566 924137841 /nfs/dbraw/zinc/13/78/41/924137841.db2.gz HRJSFMODDJMARR-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001393249566 924137856 /nfs/dbraw/zinc/13/78/56/924137856.db2.gz HRJSFMODDJMARR-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393253942 924137876 /nfs/dbraw/zinc/13/78/76/924137876.db2.gz PGFVEKAEICTFGK-FZMZJTMJSA-N 1 1 300.355 -1.125 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393249553 924137908 /nfs/dbraw/zinc/13/79/08/924137908.db2.gz HQCPNXPZGLBTOK-OCCSQVGLSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393249553 924137924 /nfs/dbraw/zinc/13/79/24/924137924.db2.gz HQCPNXPZGLBTOK-OCCSQVGLSA-N 1 1 301.387 -1.356 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001393250463 924137976 /nfs/dbraw/zinc/13/79/76/924137976.db2.gz YAIAYPJITWWWKT-IINYFYTJSA-N 1 1 324.385 -1.470 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001393250463 924137984 /nfs/dbraw/zinc/13/79/84/924137984.db2.gz YAIAYPJITWWWKT-IINYFYTJSA-N 1 1 324.385 -1.470 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c(C)ncn2C)C1 ZINC001393250053 924138097 /nfs/dbraw/zinc/13/80/97/924138097.db2.gz LDJMUSWQTFSMIV-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c(C)ncn2C)C1 ZINC001393250053 924138110 /nfs/dbraw/zinc/13/81/10/924138110.db2.gz LDJMUSWQTFSMIV-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393250076 924138148 /nfs/dbraw/zinc/13/81/48/924138148.db2.gz NSFNTSWOGWMYEY-SKDRFNHKSA-N 1 1 309.330 -2.885 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393250076 924138163 /nfs/dbraw/zinc/13/81/63/924138163.db2.gz NSFNTSWOGWMYEY-SKDRFNHKSA-N 1 1 309.330 -2.885 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393256971 924139339 /nfs/dbraw/zinc/13/93/39/924139339.db2.gz UEZFEKNOBIQWMA-UFBFGSQYSA-N 1 1 300.315 -2.606 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393256971 924139346 /nfs/dbraw/zinc/13/93/46/924139346.db2.gz UEZFEKNOBIQWMA-UFBFGSQYSA-N 1 1 300.315 -2.606 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001393259702 924141070 /nfs/dbraw/zinc/14/10/70/924141070.db2.gz YMCZQPBLDROIIY-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393255829 924141198 /nfs/dbraw/zinc/14/11/98/924141198.db2.gz QRLXDPMAFJBMIU-QMTHXVAHSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393255829 924141205 /nfs/dbraw/zinc/14/12/05/924141205.db2.gz QRLXDPMAFJBMIU-QMTHXVAHSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001393260382 924141944 /nfs/dbraw/zinc/14/19/44/924141944.db2.gz YJTFNPALNWRRKU-GFCCVEGCSA-N 1 1 314.367 -1.239 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001393260382 924141952 /nfs/dbraw/zinc/14/19/52/924141952.db2.gz YJTFNPALNWRRKU-GFCCVEGCSA-N 1 1 314.367 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001393255923 924142019 /nfs/dbraw/zinc/14/20/19/924142019.db2.gz QYGZBORJKVBYJJ-CYBMUJFWSA-N 1 1 317.361 -1.196 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001393255923 924142026 /nfs/dbraw/zinc/14/20/26/924142026.db2.gz QYGZBORJKVBYJJ-CYBMUJFWSA-N 1 1 317.361 -1.196 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393266730 924143730 /nfs/dbraw/zinc/14/37/30/924143730.db2.gz VZELMZUYQPXIRX-NOZJJQNGSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393266730 924143739 /nfs/dbraw/zinc/14/37/39/924143739.db2.gz VZELMZUYQPXIRX-NOZJJQNGSA-N 1 1 313.358 -2.691 20 0 DAADMO CC[C@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393265373 924144290 /nfs/dbraw/zinc/14/42/90/924144290.db2.gz SLGCZJBIQFXLCL-UFBFGSQYSA-N 1 1 304.322 -1.518 20 0 DAADMO CC[C@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393265373 924144297 /nfs/dbraw/zinc/14/42/97/924144297.db2.gz SLGCZJBIQFXLCL-UFBFGSQYSA-N 1 1 304.322 -1.518 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393270809 924144430 /nfs/dbraw/zinc/14/44/30/924144430.db2.gz HJZJYUQJPTVRSL-SMDDNHRTSA-N 1 1 309.370 -1.231 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1csnn1 ZINC001393265304 924144725 /nfs/dbraw/zinc/14/47/25/924144725.db2.gz RZJVWMZPHJZAFV-CABZTGNLSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1csnn1 ZINC001393265304 924144733 /nfs/dbraw/zinc/14/47/33/924144733.db2.gz RZJVWMZPHJZAFV-CABZTGNLSA-N 1 1 311.367 -1.407 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278184 924147277 /nfs/dbraw/zinc/14/72/77/924147277.db2.gz RDXUFEOONIOPPU-DOMZBBRYSA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393278348 924147408 /nfs/dbraw/zinc/14/74/08/924147408.db2.gz PODFDBGPTPGVKM-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393278348 924147416 /nfs/dbraw/zinc/14/74/16/924147416.db2.gz PODFDBGPTPGVKM-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001393274827 924147551 /nfs/dbraw/zinc/14/75/51/924147551.db2.gz YRUDPSXOFXBXOS-OCCSQVGLSA-N 1 1 311.386 -1.008 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001393275766 924147691 /nfs/dbraw/zinc/14/76/91/924147691.db2.gz DUMNJAWWNJKZRP-ZDUSSCGKSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001393275766 924147696 /nfs/dbraw/zinc/14/76/96/924147696.db2.gz DUMNJAWWNJKZRP-ZDUSSCGKSA-N 1 1 320.411 -1.644 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001393273972 924148646 /nfs/dbraw/zinc/14/86/46/924148646.db2.gz HAQYAWZAYFPGBR-OAHLLOKOSA-N 1 1 320.349 -1.563 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001393273972 924148652 /nfs/dbraw/zinc/14/86/52/924148652.db2.gz HAQYAWZAYFPGBR-OAHLLOKOSA-N 1 1 320.349 -1.563 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001393275574 924148793 /nfs/dbraw/zinc/14/87/93/924148793.db2.gz CRNPFEIXHJOWNS-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001393275574 924148805 /nfs/dbraw/zinc/14/88/05/924148805.db2.gz CRNPFEIXHJOWNS-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001393278679 924149055 /nfs/dbraw/zinc/14/90/55/924149055.db2.gz SYMXTQPHLVBARS-ZUZCIYMTSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001393278679 924149063 /nfs/dbraw/zinc/14/90/63/924149063.db2.gz SYMXTQPHLVBARS-ZUZCIYMTSA-N 1 1 324.381 -1.076 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(=O)[nH]1 ZINC001393277580 924149264 /nfs/dbraw/zinc/14/92/64/924149264.db2.gz QKPONRJGXZMBED-CQSZACIVSA-N 1 1 308.338 -1.252 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(=O)[nH]1 ZINC001393277580 924149274 /nfs/dbraw/zinc/14/92/74/924149274.db2.gz QKPONRJGXZMBED-CQSZACIVSA-N 1 1 308.338 -1.252 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393277238 924149448 /nfs/dbraw/zinc/14/94/48/924149448.db2.gz APWBINCGWWRMMH-HZMBPMFUSA-N 1 1 324.385 -1.623 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393280039 924151205 /nfs/dbraw/zinc/15/12/05/924151205.db2.gz UGEWWVHATAIKLP-WFASDCNBSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnon1 ZINC001393280543 924151287 /nfs/dbraw/zinc/15/12/87/924151287.db2.gz QHQSFMJMXABHEL-LBPRGKRZSA-N 1 1 307.314 -1.472 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393281478 924151652 /nfs/dbraw/zinc/15/16/52/924151652.db2.gz MZPTWAJHSPECNJ-AWEZNQCLSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCCS1(=O)=O ZINC001393283434 924151701 /nfs/dbraw/zinc/15/17/01/924151701.db2.gz QTBBBMJGYNVIKW-JQWIXIFHSA-N 1 1 306.384 -1.891 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCCS1(=O)=O ZINC001393283434 924151713 /nfs/dbraw/zinc/15/17/13/924151713.db2.gz QTBBBMJGYNVIKW-JQWIXIFHSA-N 1 1 306.384 -1.891 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)CC2 ZINC001393280178 924151892 /nfs/dbraw/zinc/15/18/92/924151892.db2.gz JYDDNEIBOAXDNG-WFASDCNBSA-N 1 1 323.397 -1.306 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001393279359 924152342 /nfs/dbraw/zinc/15/23/42/924152342.db2.gz ITXWUYITCQIPBI-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001393279359 924152350 /nfs/dbraw/zinc/15/23/50/924152350.db2.gz ITXWUYITCQIPBI-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001393283300 924153145 /nfs/dbraw/zinc/15/31/45/924153145.db2.gz QJKZWFBKPWZKTI-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393282491 924153225 /nfs/dbraw/zinc/15/32/25/924153225.db2.gz ZGYPFYTYPSIVGN-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393282491 924153237 /nfs/dbraw/zinc/15/32/37/924153237.db2.gz ZGYPFYTYPSIVGN-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393288695 924157025 /nfs/dbraw/zinc/15/70/25/924157025.db2.gz DWENEJKLNASJQI-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001393293883 924157906 /nfs/dbraw/zinc/15/79/06/924157906.db2.gz NXFQMBQAGBVBSQ-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001393293883 924157915 /nfs/dbraw/zinc/15/79/15/924157915.db2.gz NXFQMBQAGBVBSQ-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001393293937 924158643 /nfs/dbraw/zinc/15/86/43/924158643.db2.gz RXQBLLDVYXKBJB-CYBMUJFWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289891 924158718 /nfs/dbraw/zinc/15/87/18/924158718.db2.gz KGTYQTBYTHITFT-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289891 924158723 /nfs/dbraw/zinc/15/87/23/924158723.db2.gz KGTYQTBYTHITFT-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290092 924159707 /nfs/dbraw/zinc/15/97/07/924159707.db2.gz HWDVIEYAPJEORD-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290092 924159715 /nfs/dbraw/zinc/15/97/15/924159715.db2.gz HWDVIEYAPJEORD-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)nn1C ZINC001393297194 924161219 /nfs/dbraw/zinc/16/12/19/924161219.db2.gz YICOCOKWNYHULZ-OAHLLOKOSA-N 1 1 323.397 -1.105 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)nn1C ZINC001393297194 924161226 /nfs/dbraw/zinc/16/12/26/924161226.db2.gz YICOCOKWNYHULZ-OAHLLOKOSA-N 1 1 323.397 -1.105 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(CC(=O)NC)C2)CC[N@H+]1C ZINC001393321005 924173603 /nfs/dbraw/zinc/17/36/03/924173603.db2.gz ZBUQZJATJDLYII-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC1(O)C[NH+](CC(C)C)C1 ZINC001393328581 924176102 /nfs/dbraw/zinc/17/61/02/924176102.db2.gz ZFAQLLKTCPWTEB-UHFFFAOYSA-N 1 1 308.404 -2.141 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334925 924182253 /nfs/dbraw/zinc/18/22/53/924182253.db2.gz PUNGZSJOMGPMAY-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334925 924182260 /nfs/dbraw/zinc/18/22/60/924182260.db2.gz PUNGZSJOMGPMAY-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393357617 924189168 /nfs/dbraw/zinc/18/91/68/924189168.db2.gz FDLVEIIMUIHJJB-NSHDSACASA-N 1 1 309.370 -1.382 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@H]2C1 ZINC001393402455 924195688 /nfs/dbraw/zinc/19/56/88/924195688.db2.gz KMXLPANHVJELMJ-DEQVHRJGSA-N 1 1 313.398 -1.092 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C1 ZINC001393418102 924197554 /nfs/dbraw/zinc/19/75/54/924197554.db2.gz JLAVDYGFBAHEPU-FIQHERPVSA-N 1 1 319.427 -1.305 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C(=O)C1CC1 ZINC001393411500 924197574 /nfs/dbraw/zinc/19/75/74/924197574.db2.gz QOAWSFQZIUSHAE-TXEJJXNPSA-N 1 1 308.382 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001393414102 924197867 /nfs/dbraw/zinc/19/78/67/924197867.db2.gz YBAYINFCIGUGHY-PHIMTYICSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CO1 ZINC001393410521 924198512 /nfs/dbraw/zinc/19/85/12/924198512.db2.gz LWGBZWPIMAVQLO-KKOKHZNYSA-N 1 1 324.381 -1.004 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001393417155 924198835 /nfs/dbraw/zinc/19/88/35/924198835.db2.gz VXBFIXRBXGNDCU-AOOOYVTPSA-N 1 1 318.399 -2.199 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001393419603 924199065 /nfs/dbraw/zinc/19/90/65/924199065.db2.gz SBYJQVHVLPJRHA-OUAUKWLOSA-N 1 1 309.370 -1.677 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001393413051 924199270 /nfs/dbraw/zinc/19/92/70/924199270.db2.gz VBIBNWAFSFKRIZ-TUAOUCFPSA-N 1 1 314.386 -1.687 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@]1(CO)CCC[N@H+](C[C@@H](C)O)C1 ZINC001393439997 924200743 /nfs/dbraw/zinc/20/07/43/924200743.db2.gz XIYLTHRLRZGNDH-RISCZKNCSA-N 1 1 301.387 -1.211 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427024 924200971 /nfs/dbraw/zinc/20/09/71/924200971.db2.gz KGAYUIVBNLOVGW-OCCSQVGLSA-N 1 1 301.387 -1.748 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001393434304 924201385 /nfs/dbraw/zinc/20/13/85/924201385.db2.gz CQJUWCMFJFTDMB-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001393443299 924202098 /nfs/dbraw/zinc/20/20/98/924202098.db2.gz CRBVRNKVYLBIOF-LBPRGKRZSA-N 1 1 322.431 -1.655 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001393434300 924202143 /nfs/dbraw/zinc/20/21/43/924202143.db2.gz CQJUWCMFJFTDMB-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432546 924202258 /nfs/dbraw/zinc/20/22/58/924202258.db2.gz YCBUOXQJQYUWDK-BXUZGUMPSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432546 924202272 /nfs/dbraw/zinc/20/22/72/924202272.db2.gz YCBUOXQJQYUWDK-BXUZGUMPSA-N 1 1 314.386 -1.671 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)c1 ZINC001393440532 924203567 /nfs/dbraw/zinc/20/35/67/924203567.db2.gz PTWKFBRHDRBONJ-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001393440532 924203579 /nfs/dbraw/zinc/20/35/79/924203579.db2.gz PTWKFBRHDRBONJ-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001393462384 924210903 /nfs/dbraw/zinc/21/09/03/924210903.db2.gz NNBWJIYUHNIUAP-AWEZNQCLSA-N 1 1 311.386 -1.147 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001393468653 924211759 /nfs/dbraw/zinc/21/17/59/924211759.db2.gz XKWLTQXNIKXWBK-YNEHKIRRSA-N 1 1 324.385 -1.397 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001393465878 924212053 /nfs/dbraw/zinc/21/20/53/924212053.db2.gz YAMYQBNITHXNFD-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001393465878 924212065 /nfs/dbraw/zinc/21/20/65/924212065.db2.gz YAMYQBNITHXNFD-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001393466883 924212262 /nfs/dbraw/zinc/21/22/62/924212262.db2.gz RDNSKYBCPQYIFT-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C ZINC001393469720 924213574 /nfs/dbraw/zinc/21/35/74/924213574.db2.gz ZPAWESRNMUBPNA-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466120 924214308 /nfs/dbraw/zinc/21/43/08/924214308.db2.gz QXVTVQMMUILNIZ-BXUZGUMPSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466120 924214320 /nfs/dbraw/zinc/21/43/20/924214320.db2.gz QXVTVQMMUILNIZ-BXUZGUMPSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466128 924215061 /nfs/dbraw/zinc/21/50/61/924215061.db2.gz QXVTVQMMUILNIZ-RISCZKNCSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001393466128 924215071 /nfs/dbraw/zinc/21/50/71/924215071.db2.gz QXVTVQMMUILNIZ-RISCZKNCSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CN(C)C(=O)N3)CCC2)nn1 ZINC001393550365 924223517 /nfs/dbraw/zinc/22/35/17/924223517.db2.gz IMMKJMHJOWQSQI-NSHDSACASA-N 1 1 321.385 -1.033 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393582858 924230310 /nfs/dbraw/zinc/23/03/10/924230310.db2.gz DLFRXFMVICKXCM-WDEREUQCSA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393582858 924230323 /nfs/dbraw/zinc/23/03/23/924230323.db2.gz DLFRXFMVICKXCM-WDEREUQCSA-N 1 1 324.381 -1.639 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001393595907 924233300 /nfs/dbraw/zinc/23/33/00/924233300.db2.gz FVMKDZVLOHSSCE-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001393620757 924236001 /nfs/dbraw/zinc/23/60/01/924236001.db2.gz GARQVQHXCAEFHA-SNVBAGLBSA-N 1 1 322.431 -1.468 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001393629085 924236893 /nfs/dbraw/zinc/23/68/93/924236893.db2.gz FHVSHHJPEUNHDI-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001393629090 924237152 /nfs/dbraw/zinc/23/71/52/924237152.db2.gz FHVSHHJPEUNHDI-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCC[N@@H+](C)CCCO)C(=O)CN1CCN(C)C(=O)C1 ZINC001393623825 924237383 /nfs/dbraw/zinc/23/73/83/924237383.db2.gz VYQRKYTZOKTRQI-UHFFFAOYSA-N 1 1 314.430 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001393643155 924237696 /nfs/dbraw/zinc/23/76/96/924237696.db2.gz ZJBCASKLZJQYKM-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001393637545 924238119 /nfs/dbraw/zinc/23/81/19/924238119.db2.gz UPSPTTRTRXCHAV-GARJFASQSA-N 1 1 314.386 -1.327 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)CNC(=O)NC ZINC001393623950 924238547 /nfs/dbraw/zinc/23/85/47/924238547.db2.gz WFIZPALTKDFIJG-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CN(CCC[N@@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001393640148 924238764 /nfs/dbraw/zinc/23/87/64/924238764.db2.gz JWRBHVILJDNFPJ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001393684959 924243673 /nfs/dbraw/zinc/24/36/73/924243673.db2.gz XGABLGRGKXXKEN-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)NC1(C[NH2+]Cc2cnn(C)n2)CCOCC1 ZINC001393700455 924244408 /nfs/dbraw/zinc/24/44/08/924244408.db2.gz BMFFCCQAGUZQAL-UHFFFAOYSA-N 1 1 324.385 -1.294 20 0 DAADMO C[N@@H+](CC(=O)NCC1(NC(=O)Cn2ncnn2)CC1)C1CCC1 ZINC001393691694 924245182 /nfs/dbraw/zinc/24/51/82/924245182.db2.gz QAEUKUXQNMPVQN-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001393697572 924245528 /nfs/dbraw/zinc/24/55/28/924245528.db2.gz XQIPQPGYJPYUKN-BXUZGUMPSA-N 1 1 312.370 -1.026 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001393697576 924246375 /nfs/dbraw/zinc/24/63/75/924246375.db2.gz XQIPQPGYJPYUKN-FZMZJTMJSA-N 1 1 312.370 -1.026 20 0 DAADMO C[NH+](C)CC1(C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)CC1 ZINC001393691881 924247096 /nfs/dbraw/zinc/24/70/96/924247096.db2.gz KQGSLHPBKBSJBM-OAHLLOKOSA-N 1 1 312.414 -1.243 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001393727960 924248625 /nfs/dbraw/zinc/24/86/25/924248625.db2.gz DTYUQHVPGQFBTG-SCZZXKLOSA-N 1 1 308.342 -1.085 20 0 DAADMO CN1CC[C@H]([NH2+]CC2(NC(=O)c3ncn[nH]3)CCOCC2)C1=O ZINC001393716244 924248971 /nfs/dbraw/zinc/24/89/71/924248971.db2.gz LZVOGWOTVSZYFD-JTQLQIEISA-N 1 1 322.369 -1.096 20 0 DAADMO CN1CC[C@H]([NH2+]CC2(NC(=O)c3nc[nH]n3)CCOCC2)C1=O ZINC001393716244 924248984 /nfs/dbraw/zinc/24/89/84/924248984.db2.gz LZVOGWOTVSZYFD-JTQLQIEISA-N 1 1 322.369 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C ZINC001393753678 924251194 /nfs/dbraw/zinc/25/11/94/924251194.db2.gz YMEHRDZFGODUQS-IONNQARKSA-N 1 1 323.357 -1.381 20 0 DAADMO COC(=O)NCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001393757655 924251925 /nfs/dbraw/zinc/25/19/25/924251925.db2.gz AFEJUFLFGMMQDE-UHFFFAOYSA-N 1 1 300.359 -1.837 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001393757821 924252092 /nfs/dbraw/zinc/25/20/92/924252092.db2.gz BKJDBNFUAGWTIX-ZDUSSCGKSA-N 1 1 323.397 -1.141 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001393757821 924252117 /nfs/dbraw/zinc/25/21/17/924252117.db2.gz BKJDBNFUAGWTIX-ZDUSSCGKSA-N 1 1 323.397 -1.141 20 0 DAADMO Cn1nnc(C[NH2+]C2(C)CCN(C(=O)CCNC(N)=O)CC2)n1 ZINC001393748934 924253262 /nfs/dbraw/zinc/25/32/62/924253262.db2.gz BYFYFQRYVIXUED-UHFFFAOYSA-N 1 1 324.389 -1.261 20 0 DAADMO CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001393772723 924254236 /nfs/dbraw/zinc/25/42/36/924254236.db2.gz QWCADNRFUCSJEC-UHFFFAOYSA-N 1 1 324.385 -1.194 20 0 DAADMO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2nncn2C)CC1 ZINC001393764991 924254268 /nfs/dbraw/zinc/25/42/68/924254268.db2.gz YJIHKDPXTRFMLZ-UHFFFAOYSA-N 1 1 324.385 -1.606 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001393770858 924255297 /nfs/dbraw/zinc/25/52/97/924255297.db2.gz MFTRIPVJTJYPKO-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nncc1C(=O)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001393769344 924255622 /nfs/dbraw/zinc/25/56/22/924255622.db2.gz HSRJGXRAWWWGOW-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001393814710 924257378 /nfs/dbraw/zinc/25/73/78/924257378.db2.gz LWACXUVZBTYPLC-NXEZZACHSA-N 1 1 309.370 -1.616 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@]2(F)CCOC2)CC1 ZINC001393842232 924259888 /nfs/dbraw/zinc/25/98/88/924259888.db2.gz HDKCHWZNNTVYGN-AWEZNQCLSA-N 1 1 317.361 -1.196 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)c2)CC1 ZINC001393836268 924261160 /nfs/dbraw/zinc/26/11/60/924261160.db2.gz PQCYWSZPPFAEMF-SNVBAGLBSA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001393844914 924261499 /nfs/dbraw/zinc/26/14/99/924261499.db2.gz HLSFCZDICKILQE-BBBLOLIVSA-N 1 1 312.370 -2.075 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001393846298 924262419 /nfs/dbraw/zinc/26/24/19/924262419.db2.gz HHMRDDWNLGWOGK-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cncn2C)CC1 ZINC001393849814 924263613 /nfs/dbraw/zinc/26/36/13/924263613.db2.gz FRHFLGASBMNZQI-NSHDSACASA-N 1 1 323.397 -1.221 20 0 DAADMO CCn1cc(C(=O)NC2(CO)CC[NH+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001393850895 924263635 /nfs/dbraw/zinc/26/36/35/924263635.db2.gz ITPSBPGBCHYDMB-JTQLQIEISA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nnc(C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)n1 ZINC001393845396 924264416 /nfs/dbraw/zinc/26/44/16/924264416.db2.gz WLYZWPKNFPFOER-SECBINFHSA-N 1 1 323.357 -2.345 20 0 DAADMO CNC(=O)CN1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001393849168 924264612 /nfs/dbraw/zinc/26/46/12/924264612.db2.gz GBDHSIABGOBBMQ-UHFFFAOYSA-N 1 1 323.397 -1.119 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001393917522 924265275 /nfs/dbraw/zinc/26/52/75/924265275.db2.gz AVULBXQFWAOXKX-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CN1CCOCC1 ZINC001393917517 924265664 /nfs/dbraw/zinc/26/56/64/924265664.db2.gz AVULBXQFWAOXKX-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001393865141 924265971 /nfs/dbraw/zinc/26/59/71/924265971.db2.gz BNXJKKIPBQPDGK-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001393865141 924265981 /nfs/dbraw/zinc/26/59/81/924265981.db2.gz BNXJKKIPBQPDGK-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001393922124 924267479 /nfs/dbraw/zinc/26/74/79/924267479.db2.gz AQQVRSXRZUVNDV-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001393922125 924268028 /nfs/dbraw/zinc/26/80/28/924268028.db2.gz AQQVRSXRZUVNDV-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001393922122 924268059 /nfs/dbraw/zinc/26/80/59/924268059.db2.gz AQQVRSXRZUVNDV-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001393967108 924270960 /nfs/dbraw/zinc/27/09/60/924270960.db2.gz WTSFZQQLRQNYLF-VHSXEESVSA-N 1 1 324.385 -1.207 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001393976747 924270995 /nfs/dbraw/zinc/27/09/95/924270995.db2.gz BUJMRQLRMNWBEO-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001393965073 924271034 /nfs/dbraw/zinc/27/10/34/924271034.db2.gz UTRPKFYTSWYVGI-QWRGUYRKSA-N 1 1 323.401 -1.770 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001393967964 924271648 /nfs/dbraw/zinc/27/16/48/924271648.db2.gz LJMWZPXKBLIDSG-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cccn1 ZINC001394039259 924275171 /nfs/dbraw/zinc/27/51/71/924275171.db2.gz VBEJDKIDVHCVCD-VHSXEESVSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394039252 924275457 /nfs/dbraw/zinc/27/54/57/924275457.db2.gz VBEJDKIDVHCVCD-UWVGGRQHSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001394039243 924275554 /nfs/dbraw/zinc/27/55/54/924275554.db2.gz VBEJDKIDVHCVCD-NXEZZACHSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001394048415 924276395 /nfs/dbraw/zinc/27/63/95/924276395.db2.gz HLWCNQLYOPMBIB-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394048415 924276404 /nfs/dbraw/zinc/27/64/04/924276404.db2.gz HLWCNQLYOPMBIB-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001394065220 924277187 /nfs/dbraw/zinc/27/71/87/924277187.db2.gz HAVZYZKFONOEBE-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089621 924277946 /nfs/dbraw/zinc/27/79/46/924277946.db2.gz LMRMTXFGHCFFAH-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089621 924277960 /nfs/dbraw/zinc/27/79/60/924277960.db2.gz LMRMTXFGHCFFAH-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394083124 924278422 /nfs/dbraw/zinc/27/84/22/924278422.db2.gz YNSKYVIZWCVXJW-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394083124 924278432 /nfs/dbraw/zinc/27/84/32/924278432.db2.gz YNSKYVIZWCVXJW-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001394080012 924278808 /nfs/dbraw/zinc/27/88/08/924278808.db2.gz OCGVACCQLURLQX-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001394080012 924278815 /nfs/dbraw/zinc/27/88/15/924278815.db2.gz OCGVACCQLURLQX-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@H+](C)[C@H](C)C(N)=O ZINC001394119589 924279117 /nfs/dbraw/zinc/27/91/17/924279117.db2.gz DAQBADWORLSGDC-NXEZZACHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@H](C)C(N)=O ZINC001394119589 924279129 /nfs/dbraw/zinc/27/91/29/924279129.db2.gz DAQBADWORLSGDC-NXEZZACHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)CC(=O)NC(N)=O ZINC001394115209 924279222 /nfs/dbraw/zinc/27/92/22/924279222.db2.gz UCLIJPPHGSJMCZ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394097479 924279836 /nfs/dbraw/zinc/27/98/36/924279836.db2.gz CKLUCZDTUBSKAR-OGBGREFGSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[N@H+](C)CC(N)=O ZINC001394103512 924280422 /nfs/dbraw/zinc/28/04/22/924280422.db2.gz OZGXFYQFAKDMPC-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[N@@H+](C)CC(N)=O ZINC001394103512 924280434 /nfs/dbraw/zinc/28/04/34/924280434.db2.gz OZGXFYQFAKDMPC-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CNC(=O)NC)C1 ZINC001394104043 924280702 /nfs/dbraw/zinc/28/07/02/924280702.db2.gz LDHRDWILHFAWPC-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001394114978 924280852 /nfs/dbraw/zinc/28/08/52/924280852.db2.gz MCERZHNTFZRLRD-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001394114978 924280854 /nfs/dbraw/zinc/28/08/54/924280854.db2.gz MCERZHNTFZRLRD-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CC(=O)NCC1CC1 ZINC001394103413 924281057 /nfs/dbraw/zinc/28/10/57/924281057.db2.gz VHSQIJBUMFYBLY-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001394103413 924281066 /nfs/dbraw/zinc/28/10/66/924281066.db2.gz VHSQIJBUMFYBLY-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001394093514 924281193 /nfs/dbraw/zinc/28/11/93/924281193.db2.gz IXOOBSZJPPDVRS-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001394093514 924281204 /nfs/dbraw/zinc/28/12/04/924281204.db2.gz IXOOBSZJPPDVRS-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001394114980 924281735 /nfs/dbraw/zinc/28/17/35/924281735.db2.gz MCERZHNTFZRLRD-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001394114980 924281741 /nfs/dbraw/zinc/28/17/41/924281741.db2.gz MCERZHNTFZRLRD-VIFPVBQESA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@H+](C)CCCO ZINC001394139006 924282273 /nfs/dbraw/zinc/28/22/73/924282273.db2.gz UTMXQWZPVSZEIY-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@@H+](C)CCCO ZINC001394139006 924282282 /nfs/dbraw/zinc/28/22/82/924282282.db2.gz UTMXQWZPVSZEIY-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394136070 924282689 /nfs/dbraw/zinc/28/26/89/924282689.db2.gz MKCAPOBZZFFVKM-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135900 924282809 /nfs/dbraw/zinc/28/28/09/924282809.db2.gz OFEXUXNGMNWKAM-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394135900 924282815 /nfs/dbraw/zinc/28/28/15/924282815.db2.gz OFEXUXNGMNWKAM-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001394127685 924283167 /nfs/dbraw/zinc/28/31/67/924283167.db2.gz NGSUGZGVFGWJPG-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001394151932 924287859 /nfs/dbraw/zinc/28/78/59/924287859.db2.gz HQMKOIPZJMOZGP-UHFFFAOYSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](O)CN1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001394163587 924289702 /nfs/dbraw/zinc/28/97/02/924289702.db2.gz VVIHCKGBMZSAQH-CYBMUJFWSA-N 1 1 315.414 -1.358 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001394167651 924290016 /nfs/dbraw/zinc/29/00/16/924290016.db2.gz XZHREZIINBHVTF-JTQLQIEISA-N 1 1 305.400 -1.359 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001394233495 924291524 /nfs/dbraw/zinc/29/15/24/924291524.db2.gz NYCHPJLAYASKCM-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO COCC(=O)N[C@H](C)C1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001394205450 924292029 /nfs/dbraw/zinc/29/20/29/924292029.db2.gz BJEAUIXOMLYMJI-SNVBAGLBSA-N 1 1 307.416 -1.039 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001394242564 924292965 /nfs/dbraw/zinc/29/29/65/924292965.db2.gz TWDRKCSRTYOBLM-SNVBAGLBSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCS(C)(=O)=O)C1 ZINC001394251165 924293316 /nfs/dbraw/zinc/29/33/16/924293316.db2.gz XVCOETCROMHQLE-ZYHUDNBSSA-N 1 1 322.427 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CN2CCOCC2)C1 ZINC001394242228 924293572 /nfs/dbraw/zinc/29/35/72/924293572.db2.gz ZSOXVBMGDMIPKK-VXGBXAGGSA-N 1 1 312.414 -1.110 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001394247449 924293639 /nfs/dbraw/zinc/29/36/39/924293639.db2.gz IDLTXQDAIASRTH-SECBINFHSA-N 1 1 309.374 -1.262 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CN2CCOCC2)C1 ZINC001394242211 924293831 /nfs/dbraw/zinc/29/38/31/924293831.db2.gz ZSOXVBMGDMIPKK-NEPJUHHUSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H](NC(=O)Cc1nnc[nH]1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001394247582 924293977 /nfs/dbraw/zinc/29/39/77/924293977.db2.gz MEKXDARTYSQAAC-SNVBAGLBSA-N 1 1 321.385 -1.191 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cncn3)[C@@H]2C1 ZINC001394292003 924294550 /nfs/dbraw/zinc/29/45/50/924294550.db2.gz DBKOBXAPGGJFIF-XDQVBPFNSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001394282625 924294842 /nfs/dbraw/zinc/29/48/42/924294842.db2.gz JHJCCWSYOPGKIR-NSHDSACASA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001394282047 924295736 /nfs/dbraw/zinc/29/57/36/924295736.db2.gz FLGFZKNDUQSVOY-GXTWGEPZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001394282047 924295743 /nfs/dbraw/zinc/29/57/43/924295743.db2.gz FLGFZKNDUQSVOY-GXTWGEPZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001394300762 924296522 /nfs/dbraw/zinc/29/65/22/924296522.db2.gz KUBVYOIOHQGIHS-FIQHERPVSA-N 1 1 310.358 -2.026 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001394313536 924297123 /nfs/dbraw/zinc/29/71/23/924297123.db2.gz HMBIBIXFGQUXFE-YIYPIFLZSA-N 1 1 324.425 -1.253 20 0 DAADMO CCOCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001394338511 924298098 /nfs/dbraw/zinc/29/80/98/924298098.db2.gz RAJGJTHVDCRXOO-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CN(CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)S(C)(=O)=O ZINC001394391475 924301686 /nfs/dbraw/zinc/30/16/86/924301686.db2.gz XZTDRWBOKOYCNA-UHFFFAOYSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001394434955 924302821 /nfs/dbraw/zinc/30/28/21/924302821.db2.gz JNDODSBKKLDLPY-UWVGGRQHSA-N 1 1 322.373 -1.782 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001394477378 924303873 /nfs/dbraw/zinc/30/38/73/924303873.db2.gz OWYWWYDYVNKEJK-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)[NH2+][C@H](C)c1nncn1C ZINC001394469108 924304050 /nfs/dbraw/zinc/30/40/50/924304050.db2.gz UPMBFHWGFPYQCO-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001394502968 924304306 /nfs/dbraw/zinc/30/43/06/924304306.db2.gz MKMDTXRQXLKVHD-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001394487716 924304383 /nfs/dbraw/zinc/30/43/83/924304383.db2.gz MYSDFMFJLLJIQP-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001394501036 924304539 /nfs/dbraw/zinc/30/45/39/924304539.db2.gz CDPKUGIYSPPVPF-VIFPVBQESA-N 1 1 323.357 -1.090 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001394477381 924304632 /nfs/dbraw/zinc/30/46/32/924304632.db2.gz OWYWWYDYVNKEJK-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2csnn2)C1 ZINC001394572068 924310683 /nfs/dbraw/zinc/31/06/83/924310683.db2.gz NDFHVXZQMNSGAB-KOLCDFICSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2csnn2)C1 ZINC001394572068 924310690 /nfs/dbraw/zinc/31/06/90/924310690.db2.gz NDFHVXZQMNSGAB-KOLCDFICSA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)cn1 ZINC001394569802 924310780 /nfs/dbraw/zinc/31/07/80/924310780.db2.gz HIDICXFHNNUONQ-OLZOCXBDSA-N 1 1 310.354 -1.233 20 0 DAADMO CC[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001394570384 924310803 /nfs/dbraw/zinc/31/08/03/924310803.db2.gz IUNCINFGMIPLJW-MNOVXSKESA-N 1 1 314.386 -1.942 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001394572924 924313222 /nfs/dbraw/zinc/31/32/22/924313222.db2.gz AMKIRAIUISJCJS-NWDGAFQWSA-N 1 1 309.370 -1.252 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001394578275 924317467 /nfs/dbraw/zinc/31/74/67/924317467.db2.gz SUTWWZIIXRIWMO-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)o1 ZINC001394579734 924318043 /nfs/dbraw/zinc/31/80/43/924318043.db2.gz KFMRDYLFUVVTCL-VHSXEESVSA-N 1 1 312.326 -1.033 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)nn1 ZINC001394579884 924318387 /nfs/dbraw/zinc/31/83/87/924318387.db2.gz LAWORVAUJZEEBT-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001394581302 924319254 /nfs/dbraw/zinc/31/92/54/924319254.db2.gz DBZYRNCWRPSXLY-SNVBAGLBSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)nn1C ZINC001394582625 924319722 /nfs/dbraw/zinc/31/97/22/924319722.db2.gz POWWHLAXLRGADM-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)n[nH]1 ZINC001394585624 924322097 /nfs/dbraw/zinc/32/20/97/924322097.db2.gz MNUMUMRLJBGWDB-JTQLQIEISA-N 1 1 308.346 -1.986 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001394587390 924324176 /nfs/dbraw/zinc/32/41/76/924324176.db2.gz SEKCSGOVJVWIID-LLVKDONJSA-N 1 1 312.374 -2.286 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cncnc1 ZINC001394589710 924326601 /nfs/dbraw/zinc/32/66/01/924326601.db2.gz YFILEIGUYVHXHN-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NC ZINC001394590367 924327066 /nfs/dbraw/zinc/32/70/66/924327066.db2.gz IURMFQWCNNQNRA-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)n[nH]1 ZINC001394591205 924328464 /nfs/dbraw/zinc/32/84/64/924328464.db2.gz YQPQMBGIYNIYJQ-NSHDSACASA-N 1 1 307.358 -1.381 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NC ZINC001394590371 924328695 /nfs/dbraw/zinc/32/86/95/924328695.db2.gz IURMFQWCNNQNRA-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CC1=O ZINC001394597226 924330626 /nfs/dbraw/zinc/33/06/26/924330626.db2.gz ZKGCLZPDONNHRX-ZJUUUORDSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)cc1=O ZINC001394602318 924331345 /nfs/dbraw/zinc/33/13/45/924331345.db2.gz HVKCFFDMSKJXQO-SNVBAGLBSA-N 1 1 306.326 -1.616 20 0 DAADMO CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394607818 924335445 /nfs/dbraw/zinc/33/54/45/924335445.db2.gz PBUAUJUBGYOJAL-WDEREUQCSA-N 1 1 300.403 -1.328 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001394609236 924336195 /nfs/dbraw/zinc/33/61/95/924336195.db2.gz FVFIHJIKLFJUQM-HZMBPMFUSA-N 1 1 324.385 -1.702 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001394614388 924340631 /nfs/dbraw/zinc/34/06/31/924340631.db2.gz WRWIQUVHVJGZLP-VIFPVBQESA-N 1 1 312.374 -1.439 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)CCC(=O)N1 ZINC001394626907 924343776 /nfs/dbraw/zinc/34/37/76/924343776.db2.gz TWNIBUOHCKXZPP-UFBFGSQYSA-N 1 1 313.383 -1.227 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001394626652 924344291 /nfs/dbraw/zinc/34/42/91/924344291.db2.gz TWRQQXIGUCWMKG-VIFPVBQESA-N 1 1 309.330 -1.359 20 0 DAADMO CN1CCC[C@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001394624333 924344416 /nfs/dbraw/zinc/34/44/16/924344416.db2.gz WLDOFPOIOBXGGK-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001394625963 924344828 /nfs/dbraw/zinc/34/48/28/924344828.db2.gz RXCHMDUWCLAZEO-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001394625278 924345270 /nfs/dbraw/zinc/34/52/70/924345270.db2.gz QDTICWNPOFMHBG-ONGXEEELSA-N 1 1 310.358 -1.997 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1CC12CC2)N1CCNC(=O)C1 ZINC001394630609 924345990 /nfs/dbraw/zinc/34/59/90/924345990.db2.gz KAUKOCAULHADKB-WDEREUQCSA-N 1 1 324.381 -2.188 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001394629002 924346073 /nfs/dbraw/zinc/34/60/73/924346073.db2.gz AXAHVLSXISOELO-TUAOUCFPSA-N 1 1 322.365 -1.222 20 0 DAADMO CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394633797 924347000 /nfs/dbraw/zinc/34/70/00/924347000.db2.gz SNMICDBHUWZTRI-WCQYABFASA-N 1 1 314.430 -1.081 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CC2)N1CCNC(=O)C1 ZINC001394630605 924347062 /nfs/dbraw/zinc/34/70/62/924347062.db2.gz KAUKOCAULHADKB-GHMZBOCLSA-N 1 1 324.381 -2.188 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1)c1cnccn1 ZINC001394640499 924347939 /nfs/dbraw/zinc/34/79/39/924347939.db2.gz BUGMQVJAWMNAFD-ZJUUUORDSA-N 1 1 305.342 -1.035 20 0 DAADMO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001394640552 924348912 /nfs/dbraw/zinc/34/89/12/924348912.db2.gz QDCXJFIYEYXNRE-PWSUYJOCSA-N 1 1 321.385 -1.016 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CCc2cnn(C)n2)n1 ZINC001394637536 924349767 /nfs/dbraw/zinc/34/97/67/924349767.db2.gz QEDVFVGQITZIFF-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)ncn1 ZINC001394642704 924351840 /nfs/dbraw/zinc/35/18/40/924351840.db2.gz MWFMGAOMFGIKBF-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NCc1nc(=O)n(C)[nH]1 ZINC001394647659 924353688 /nfs/dbraw/zinc/35/36/88/924353688.db2.gz QETQKXLOUGEZDL-JTQLQIEISA-N 1 1 314.390 -1.985 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394652274 924355286 /nfs/dbraw/zinc/35/52/86/924355286.db2.gz LWLHGYUONZCBIN-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)ncn1 ZINC001394649758 924355497 /nfs/dbraw/zinc/35/54/97/924355497.db2.gz VMMQKZOWQNOPDZ-RYUDHWBXSA-N 1 1 307.354 -1.370 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001394655248 924357566 /nfs/dbraw/zinc/35/75/66/924357566.db2.gz UXJBVHUSHSRRIF-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C ZINC001394662532 924358749 /nfs/dbraw/zinc/35/87/49/924358749.db2.gz NCNURKPSTYKDGZ-DTWKUNHWSA-N 1 1 323.357 -1.239 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001394658538 924359166 /nfs/dbraw/zinc/35/91/66/924359166.db2.gz XPFAQQCLWLAIIN-SNVBAGLBSA-N 1 1 323.378 -1.033 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCCC(N)=O ZINC001394677984 924360459 /nfs/dbraw/zinc/36/04/59/924360459.db2.gz HTTQPGPUKMOSEU-VHSXEESVSA-N 1 1 309.374 -1.055 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCCC(N)=O ZINC001394677979 924361854 /nfs/dbraw/zinc/36/18/54/924361854.db2.gz HTTQPGPUKMOSEU-UWVGGRQHSA-N 1 1 309.374 -1.055 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CNC(=O)NC)CCC[C@H]12 ZINC001394672072 924361871 /nfs/dbraw/zinc/36/18/71/924361871.db2.gz BBNHCATYYBNQKR-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)oc1C ZINC001394718027 924362477 /nfs/dbraw/zinc/36/24/77/924362477.db2.gz IWGZNXRIAYKING-NSHDSACASA-N 1 1 323.357 -1.113 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CCn1cncn1 ZINC001394724540 924362617 /nfs/dbraw/zinc/36/26/17/924362617.db2.gz AUWCVZQOVZJMGP-NSHDSACASA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nccs1)C(=O)Cn1cnnn1 ZINC001394718843 924362729 /nfs/dbraw/zinc/36/27/29/924362729.db2.gz KGEGPVKWAXMJLO-SECBINFHSA-N 1 1 311.371 -1.261 20 0 DAADMO CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394730353 924365640 /nfs/dbraw/zinc/36/56/40/924365640.db2.gz KXALRBPRGVZYAP-STQMWFEESA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1cccn1 ZINC001394728940 924365781 /nfs/dbraw/zinc/36/57/81/924365781.db2.gz ORPFOGUBJBLPCM-GFCCVEGCSA-N 1 1 307.358 -1.379 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc(C)[nH]1 ZINC001394730407 924366178 /nfs/dbraw/zinc/36/61/78/924366178.db2.gz LVVRZWCPVYLGOI-MNOVXSKESA-N 1 1 300.359 -1.252 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)nnn1C ZINC001394734075 924366817 /nfs/dbraw/zinc/36/68/17/924366817.db2.gz HYYNZXVHKXIPSV-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)CNCc1cn(C)nn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394732189 924368088 /nfs/dbraw/zinc/36/80/88/924368088.db2.gz RDAIBQMBMLKDDK-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cc[nH]n1 ZINC001394736862 924368997 /nfs/dbraw/zinc/36/89/97/924368997.db2.gz RCWLZFNSQCDZBB-LBPRGKRZSA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2nnc(C)[nH]2)[nH]1 ZINC001394735694 924369634 /nfs/dbraw/zinc/36/96/34/924369634.db2.gz VUTZQHVQTCEBMW-SNVBAGLBSA-N 1 1 322.373 -1.309 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1nc[nH]n1 ZINC001394738166 924369736 /nfs/dbraw/zinc/36/97/36/924369736.db2.gz FBIQDGYQPYTAKI-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@H]1CCOC1 ZINC001394735819 924370071 /nfs/dbraw/zinc/37/00/71/924370071.db2.gz PEGHKHJSQNMHFS-GHMZBOCLSA-N 1 1 312.374 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1nc[nH]n1 ZINC001394738179 924370379 /nfs/dbraw/zinc/37/03/79/924370379.db2.gz FBIQDGYQPYTAKI-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1)c1nncn1C ZINC001394738676 924371976 /nfs/dbraw/zinc/37/19/76/924371976.db2.gz WVQOYMNGAKCXQR-ZJUUUORDSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001394751354 924375830 /nfs/dbraw/zinc/37/58/30/924375830.db2.gz HJLISZYKNUYCEV-LURJTMIESA-N 1 1 323.275 -1.064 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCc1cn[nH]c1 ZINC001394752881 924375968 /nfs/dbraw/zinc/37/59/68/924375968.db2.gz CJVWXPCMMOPUKR-NSHDSACASA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001394754727 924377771 /nfs/dbraw/zinc/37/77/71/924377771.db2.gz ACLZXWDYBJSZMW-MWLCHTKSSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001394754726 924379570 /nfs/dbraw/zinc/37/95/70/924379570.db2.gz ACLZXWDYBJSZMW-KOLCDFICSA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001394760539 924380272 /nfs/dbraw/zinc/38/02/72/924380272.db2.gz UHBKSFZQDZCXTQ-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCOC ZINC001394763036 924380481 /nfs/dbraw/zinc/38/04/81/924380481.db2.gz KRWJHXAAEFWEFI-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCOC ZINC001394763036 924380486 /nfs/dbraw/zinc/38/04/86/924380486.db2.gz KRWJHXAAEFWEFI-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cnc[nH]1 ZINC001394759057 924381399 /nfs/dbraw/zinc/38/13/99/924381399.db2.gz UUEYOYVHJHCJCT-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001394768320 924382542 /nfs/dbraw/zinc/38/25/42/924382542.db2.gz FGGVJWAAKXYFSF-OLZOCXBDSA-N 1 1 312.370 -1.151 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394764876 924382837 /nfs/dbraw/zinc/38/28/37/924382837.db2.gz BVORUQABYKPJNS-KOLCDFICSA-N 1 1 302.375 -1.910 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394764876 924382845 /nfs/dbraw/zinc/38/28/45/924382845.db2.gz BVORUQABYKPJNS-KOLCDFICSA-N 1 1 302.375 -1.910 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394766659 924382994 /nfs/dbraw/zinc/38/29/94/924382994.db2.gz BNSDXRHODMPSKH-QWRGUYRKSA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394766659 924382997 /nfs/dbraw/zinc/38/29/97/924382997.db2.gz BNSDXRHODMPSKH-QWRGUYRKSA-N 1 1 315.370 -1.563 20 0 DAADMO CC(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001394772181 924383086 /nfs/dbraw/zinc/38/30/86/924383086.db2.gz XAZBXDAHOOJEFO-SNVBAGLBSA-N 1 1 302.375 -1.022 20 0 DAADMO CC(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001394772181 924383097 /nfs/dbraw/zinc/38/30/97/924383097.db2.gz XAZBXDAHOOJEFO-SNVBAGLBSA-N 1 1 302.375 -1.022 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001394765884 924383288 /nfs/dbraw/zinc/38/32/88/924383288.db2.gz FBNFKZHJGMOFTC-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001394765884 924383297 /nfs/dbraw/zinc/38/32/97/924383297.db2.gz FBNFKZHJGMOFTC-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001394768324 924383506 /nfs/dbraw/zinc/38/35/06/924383506.db2.gz FGGVJWAAKXYFSF-STQMWFEESA-N 1 1 312.370 -1.151 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001394765694 924383933 /nfs/dbraw/zinc/38/39/33/924383933.db2.gz HBVCFCLSWDIOKG-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001394765694 924383941 /nfs/dbraw/zinc/38/39/41/924383941.db2.gz HBVCFCLSWDIOKG-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394768562 924384229 /nfs/dbraw/zinc/38/42/29/924384229.db2.gz NWTJXCPGTYBXHL-LBPRGKRZSA-N 1 1 324.385 -1.200 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001394773619 924384836 /nfs/dbraw/zinc/38/48/36/924384836.db2.gz AAOPWNCGSZSXOJ-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001394773006 924384907 /nfs/dbraw/zinc/38/49/07/924384907.db2.gz VELYQIYUXMSBGD-VXGBXAGGSA-N 1 1 314.386 -1.208 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001394774417 924384930 /nfs/dbraw/zinc/38/49/30/924384930.db2.gz DGHDDLVRNJIRAR-RKDXNWHRSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001394774417 924384933 /nfs/dbraw/zinc/38/49/33/924384933.db2.gz DGHDDLVRNJIRAR-RKDXNWHRSA-N 1 1 303.363 -2.460 20 0 DAADMO CCc1c[nH]c(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394774999 924385034 /nfs/dbraw/zinc/38/50/34/924385034.db2.gz GRPHIIHLEJUGBF-LLVKDONJSA-N 1 1 311.386 -1.249 20 0 DAADMO CCc1c[nH]c(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394774999 924385038 /nfs/dbraw/zinc/38/50/38/924385038.db2.gz GRPHIIHLEJUGBF-LLVKDONJSA-N 1 1 311.386 -1.249 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394774411 924385774 /nfs/dbraw/zinc/38/57/74/924385774.db2.gz DGHDDLVRNJIRAR-DTWKUNHWSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394774411 924385779 /nfs/dbraw/zinc/38/57/79/924385779.db2.gz DGHDDLVRNJIRAR-DTWKUNHWSA-N 1 1 303.363 -2.460 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001394774587 924385984 /nfs/dbraw/zinc/38/59/84/924385984.db2.gz DQURCXWPCHDNAX-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO COc1nccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394776715 924386297 /nfs/dbraw/zinc/38/62/97/924386297.db2.gz KOSHQGCRDTZLEA-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1nccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394776715 924386304 /nfs/dbraw/zinc/38/63/04/924386304.db2.gz KOSHQGCRDTZLEA-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394777270 924386546 /nfs/dbraw/zinc/38/65/46/924386546.db2.gz WQASTQKIRLEEQT-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394777270 924386555 /nfs/dbraw/zinc/38/65/55/924386555.db2.gz WQASTQKIRLEEQT-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnn(C)n1 ZINC001394785151 924387706 /nfs/dbraw/zinc/38/77/06/924387706.db2.gz NDEPRRFZOJRIPY-NSHDSACASA-N 1 1 322.373 -1.529 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CCCF ZINC001394785912 924387733 /nfs/dbraw/zinc/38/77/33/924387733.db2.gz IZKILTISWPIKEV-VIFPVBQESA-N 1 1 306.338 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCCF ZINC001394785912 924387742 /nfs/dbraw/zinc/38/77/42/924387742.db2.gz IZKILTISWPIKEV-VIFPVBQESA-N 1 1 306.338 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783850 924387924 /nfs/dbraw/zinc/38/79/24/924387924.db2.gz NAOZOIKTEQYGRH-IUCAKERBSA-N 1 1 304.322 -1.695 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783850 924387929 /nfs/dbraw/zinc/38/79/29/924387929.db2.gz NAOZOIKTEQYGRH-IUCAKERBSA-N 1 1 304.322 -1.695 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001394777956 924387974 /nfs/dbraw/zinc/38/79/74/924387974.db2.gz WJEGIPMYJXOVGB-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001394777956 924387981 /nfs/dbraw/zinc/38/79/81/924387981.db2.gz WJEGIPMYJXOVGB-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001394780182 924388092 /nfs/dbraw/zinc/38/80/92/924388092.db2.gz DSMGHENXTIUBMB-NSHDSACASA-N 1 1 311.386 -1.242 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001394780182 924388097 /nfs/dbraw/zinc/38/80/97/924388097.db2.gz DSMGHENXTIUBMB-NSHDSACASA-N 1 1 311.386 -1.242 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394782864 924388531 /nfs/dbraw/zinc/38/85/31/924388531.db2.gz JXIRNYOJQHHPFG-LBELIVKGSA-N 1 1 311.382 -1.482 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001394782916 924388625 /nfs/dbraw/zinc/38/86/25/924388625.db2.gz HXQQUAXADCTOEE-RYUDHWBXSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cccnc1C(N)=O ZINC001394785004 924388682 /nfs/dbraw/zinc/38/86/82/924388682.db2.gz BAOWCZBIWAINIX-LLVKDONJSA-N 1 1 324.381 -1.072 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCC(=O)NC1=O ZINC001394783474 924389435 /nfs/dbraw/zinc/38/94/35/924389435.db2.gz VEXHUIOVJXRXKB-JTQLQIEISA-N 1 1 316.358 -2.328 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001394779451 924389539 /nfs/dbraw/zinc/38/95/39/924389539.db2.gz FUCRLXGNFMCKSK-NWDGAFQWSA-N 1 1 301.387 -1.354 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001394791407 924390044 /nfs/dbraw/zinc/39/00/44/924390044.db2.gz OPBFNLRBOLBRTF-CHWSQXEVSA-N 1 1 303.403 -1.550 20 0 DAADMO CCn1nc(C)c(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394794148 924390081 /nfs/dbraw/zinc/39/00/81/924390081.db2.gz VTDDMLMRTSYBKR-JTQLQIEISA-N 1 1 312.374 -1.544 20 0 DAADMO CCn1nc(C)c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394794148 924390087 /nfs/dbraw/zinc/39/00/87/924390087.db2.gz VTDDMLMRTSYBKR-JTQLQIEISA-N 1 1 312.374 -1.544 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001394794227 924390255 /nfs/dbraw/zinc/39/02/55/924390255.db2.gz WFEFECOSQLTIKY-PWSUYJOCSA-N 1 1 324.381 -1.074 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791126 924390839 /nfs/dbraw/zinc/39/08/39/924390839.db2.gz SJKYKRNNALRLIW-WPRPVWTQSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791126 924390854 /nfs/dbraw/zinc/39/08/54/924390854.db2.gz SJKYKRNNALRLIW-WPRPVWTQSA-N 1 1 311.342 -1.579 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nn1C ZINC001394787206 924391058 /nfs/dbraw/zinc/39/10/58/924391058.db2.gz FRBNYJAUACWHKD-NSHDSACASA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nn1C ZINC001394787206 924391070 /nfs/dbraw/zinc/39/10/70/924391070.db2.gz FRBNYJAUACWHKD-NSHDSACASA-N 1 1 311.386 -1.168 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001394790565 924391158 /nfs/dbraw/zinc/39/11/58/924391158.db2.gz LCIKTEAWDGGTJE-JQWIXIFHSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001394790565 924391167 /nfs/dbraw/zinc/39/11/67/924391167.db2.gz LCIKTEAWDGGTJE-JQWIXIFHSA-N 1 1 323.397 -1.249 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001394793008 924391201 /nfs/dbraw/zinc/39/12/01/924391201.db2.gz PPULSSXWTNGSRG-VXGBXAGGSA-N 1 1 324.443 -1.059 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001394793008 924391209 /nfs/dbraw/zinc/39/12/09/924391209.db2.gz PPULSSXWTNGSRG-VXGBXAGGSA-N 1 1 324.443 -1.059 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001394795910 924391411 /nfs/dbraw/zinc/39/14/11/924391411.db2.gz XNYSFTLDXPHTMA-RYUDHWBXSA-N 1 1 324.385 -1.740 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001394794225 924391852 /nfs/dbraw/zinc/39/18/52/924391852.db2.gz WFEFECOSQLTIKY-JQWIXIFHSA-N 1 1 324.381 -1.074 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001394787440 924391997 /nfs/dbraw/zinc/39/19/97/924391997.db2.gz KZGAVNORGRWCHM-JTQLQIEISA-N 1 1 312.374 -1.434 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001394787440 924392002 /nfs/dbraw/zinc/39/20/02/924392002.db2.gz KZGAVNORGRWCHM-JTQLQIEISA-N 1 1 312.374 -1.434 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394794986 924392111 /nfs/dbraw/zinc/39/21/11/924392111.db2.gz YKUCSDRHKWTIMJ-LBPRGKRZSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394794986 924392116 /nfs/dbraw/zinc/39/21/16/924392116.db2.gz YKUCSDRHKWTIMJ-LBPRGKRZSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)C[C@H]1CCC(=O)N1 ZINC001394791460 924392178 /nfs/dbraw/zinc/39/21/78/924392178.db2.gz XODPJSZSEMDPBN-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001394790564 924392297 /nfs/dbraw/zinc/39/22/97/924392297.db2.gz LCIKTEAWDGGTJE-CMPLNLGQSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001394790564 924392304 /nfs/dbraw/zinc/39/23/04/924392304.db2.gz LCIKTEAWDGGTJE-CMPLNLGQSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001394790195 924392384 /nfs/dbraw/zinc/39/23/84/924392384.db2.gz VEQKLKFHWLPZQW-SNVBAGLBSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001394790195 924392395 /nfs/dbraw/zinc/39/23/95/924392395.db2.gz VEQKLKFHWLPZQW-SNVBAGLBSA-N 1 1 310.358 -1.552 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1cc[nH]n1)[C@@H]1CCNC1=O ZINC001394828776 924393306 /nfs/dbraw/zinc/39/33/06/924393306.db2.gz KZVWXLVHEUGKLJ-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1cc[nH]n1)[C@@H]1CCNC1=O ZINC001394828776 924393313 /nfs/dbraw/zinc/39/33/13/924393313.db2.gz KZVWXLVHEUGKLJ-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)C[C@@H](C)O ZINC001394830003 924393410 /nfs/dbraw/zinc/39/34/10/924393410.db2.gz XKVXKOQVHCAJTP-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796421 924393749 /nfs/dbraw/zinc/39/37/49/924393749.db2.gz ZADBKDSNLHRSAL-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796422 924393873 /nfs/dbraw/zinc/39/38/73/924393873.db2.gz ZADBKDSNLHRSAL-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@H]1CCN(C)C1=O ZINC001394834069 924394176 /nfs/dbraw/zinc/39/41/76/924394176.db2.gz VGWQQTBUOBVRSL-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@H]1CCN(C)C1=O ZINC001394834069 924394188 /nfs/dbraw/zinc/39/41/88/924394188.db2.gz VGWQQTBUOBVRSL-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC[N@H+](CCNC(=O)C(F)F)[C@@H](C)C(=O)NC(N)=O ZINC001394833458 924394355 /nfs/dbraw/zinc/39/43/55/924394355.db2.gz WMUBDAPVQSAUFB-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO COCC[N@@H+](CCNC(=O)C(F)F)[C@@H](C)C(=O)NC(N)=O ZINC001394833458 924394364 /nfs/dbraw/zinc/39/43/64/924394364.db2.gz WMUBDAPVQSAUFB-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001394969294 924398168 /nfs/dbraw/zinc/39/81/68/924398168.db2.gz KZNTUZKZQNVVSI-WDEREUQCSA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395124442 924402705 /nfs/dbraw/zinc/40/27/05/924402705.db2.gz FOZRHQCBEKFHQI-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395124442 924402710 /nfs/dbraw/zinc/40/27/10/924402710.db2.gz FOZRHQCBEKFHQI-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)CNC(N)=O ZINC001395130562 924404090 /nfs/dbraw/zinc/40/40/90/924404090.db2.gz WWLXQZRESWEGBH-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)CNC(N)=O ZINC001395130564 924404413 /nfs/dbraw/zinc/40/44/13/924404413.db2.gz WWLXQZRESWEGBH-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001395266085 924410763 /nfs/dbraw/zinc/41/07/63/924410763.db2.gz CWSYGEFJKALLQD-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001395266076 924411430 /nfs/dbraw/zinc/41/14/30/924411430.db2.gz CWSYGEFJKALLQD-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCNC(N)=O ZINC001395570578 924420699 /nfs/dbraw/zinc/42/06/99/924420699.db2.gz FJEMTKVDNJWKPL-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395582204 924420934 /nfs/dbraw/zinc/42/09/34/924420934.db2.gz KTAYRXYRGCIIID-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395637071 924424307 /nfs/dbraw/zinc/42/43/07/924424307.db2.gz LSFKKSAFDOVJIY-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)Cn1c[nH+]cc1C ZINC001395686561 924430179 /nfs/dbraw/zinc/43/01/79/924430179.db2.gz QFLZUNOMBUODDA-LLVKDONJSA-N 1 1 311.342 -2.079 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001395691310 924433707 /nfs/dbraw/zinc/43/37/07/924433707.db2.gz JCMMRKPLOBGDKA-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698338 924437493 /nfs/dbraw/zinc/43/74/93/924437493.db2.gz ASFOTQWZMXYEJK-JQWIXIFHSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698338 924437502 /nfs/dbraw/zinc/43/75/02/924437502.db2.gz ASFOTQWZMXYEJK-JQWIXIFHSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cccnn1 ZINC001395707297 924442120 /nfs/dbraw/zinc/44/21/20/924442120.db2.gz DOYLVPDMTGUCHT-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705769 924442196 /nfs/dbraw/zinc/44/21/96/924442196.db2.gz FRDDNRONLBGKEF-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001395705769 924442199 /nfs/dbraw/zinc/44/21/99/924442199.db2.gz FRDDNRONLBGKEF-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO COC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395709682 924443710 /nfs/dbraw/zinc/44/37/10/924443710.db2.gz MTEYALGDAICOLV-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001395713843 924445265 /nfs/dbraw/zinc/44/52/65/924445265.db2.gz HFMDIAXFWXFLSZ-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395710580 924445293 /nfs/dbraw/zinc/44/52/93/924445293.db2.gz YSVCSLIGCLNAJM-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnnn1C ZINC001395716887 924446703 /nfs/dbraw/zinc/44/67/03/924446703.db2.gz QKAHBDJBABNUBY-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1cnnn1C ZINC001395719078 924448646 /nfs/dbraw/zinc/44/86/46/924448646.db2.gz YJFUPUVUFZLOBQ-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001395725924 924451636 /nfs/dbraw/zinc/45/16/36/924451636.db2.gz NLEIZFQJEBZFKP-JQWIXIFHSA-N 1 1 324.385 -1.401 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ccn(C)n2)C1 ZINC001395739027 924455843 /nfs/dbraw/zinc/45/58/43/924455843.db2.gz SGOJLFVTIFKRNN-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001395736815 924456382 /nfs/dbraw/zinc/45/63/82/924456382.db2.gz LYZBJAOFOODRLE-WCQYABFASA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]n1 ZINC001395736815 924456388 /nfs/dbraw/zinc/45/63/88/924456388.db2.gz LYZBJAOFOODRLE-WCQYABFASA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001395736815 924456393 /nfs/dbraw/zinc/45/63/93/924456393.db2.gz LYZBJAOFOODRLE-WCQYABFASA-N 1 1 323.397 -1.194 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001395737418 924456657 /nfs/dbraw/zinc/45/66/57/924456657.db2.gz NJQSKXVSFZNPPR-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737418 924456665 /nfs/dbraw/zinc/45/66/65/924456665.db2.gz NJQSKXVSFZNPPR-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737418 924456674 /nfs/dbraw/zinc/45/66/74/924456674.db2.gz NJQSKXVSFZNPPR-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001395736812 924457073 /nfs/dbraw/zinc/45/70/73/924457073.db2.gz LYZBJAOFOODRLE-DGCLKSJQSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]n1 ZINC001395736812 924457083 /nfs/dbraw/zinc/45/70/83/924457083.db2.gz LYZBJAOFOODRLE-DGCLKSJQSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001395736812 924457086 /nfs/dbraw/zinc/45/70/86/924457086.db2.gz LYZBJAOFOODRLE-DGCLKSJQSA-N 1 1 323.397 -1.194 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001395745074 924459791 /nfs/dbraw/zinc/45/97/91/924459791.db2.gz RCXMDKILZCFONJ-JTQLQIEISA-N 1 1 317.390 -2.151 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC001395744579 924460320 /nfs/dbraw/zinc/46/03/20/924460320.db2.gz SSWUSVMYGYDVTE-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn1ccnc1)C1CCC1 ZINC001395748566 924462246 /nfs/dbraw/zinc/46/22/46/924462246.db2.gz PFFSIIZWMQLQSS-GFCCVEGCSA-N 1 1 323.397 -1.039 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)CC1 ZINC001395757176 924464467 /nfs/dbraw/zinc/46/44/67/924464467.db2.gz KOSZPVAETOJPAB-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)CC1 ZINC001395757176 924464470 /nfs/dbraw/zinc/46/44/70/924464470.db2.gz KOSZPVAETOJPAB-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001395758579 924465258 /nfs/dbraw/zinc/46/52/58/924465258.db2.gz ASUNXYQCVQRRMS-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001395762623 924466019 /nfs/dbraw/zinc/46/60/19/924466019.db2.gz FMGSGOIMPXWPJD-QWRGUYRKSA-N 1 1 324.385 -1.338 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1n[nH]cc1F ZINC001395762969 924466085 /nfs/dbraw/zinc/46/60/85/924466085.db2.gz KWLQNBXSDKCRIR-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001395762619 924466309 /nfs/dbraw/zinc/46/63/09/924466309.db2.gz FMGSGOIMPXWPJD-GHMZBOCLSA-N 1 1 324.385 -1.338 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001395762866 924466629 /nfs/dbraw/zinc/46/66/29/924466629.db2.gz QLCYEZFTBCKTDW-QWRGUYRKSA-N 1 1 324.385 -1.196 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001395764361 924467701 /nfs/dbraw/zinc/46/77/01/924467701.db2.gz TXGHGUIRPJWZPG-VXGBXAGGSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395767334 924467792 /nfs/dbraw/zinc/46/77/92/924467792.db2.gz YPRIVDQFFUAPKN-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395767321 924468134 /nfs/dbraw/zinc/46/81/34/924468134.db2.gz YPRIVDQFFUAPKN-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001395767916 924468321 /nfs/dbraw/zinc/46/83/21/924468321.db2.gz ZKMZQECNCFMSER-ZYHUDNBSSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001395767913 924468481 /nfs/dbraw/zinc/46/84/81/924468481.db2.gz ZKMZQECNCFMSER-CMPLNLGQSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001395764360 924468664 /nfs/dbraw/zinc/46/86/64/924468664.db2.gz TXGHGUIRPJWZPG-RYUDHWBXSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001395767915 924468934 /nfs/dbraw/zinc/46/89/34/924468934.db2.gz ZKMZQECNCFMSER-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1csnn1 ZINC001395774370 924472322 /nfs/dbraw/zinc/47/23/22/924472322.db2.gz MHUAFIPMKFTXOW-WCBMZHEXSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001395778272 924473830 /nfs/dbraw/zinc/47/38/30/924473830.db2.gz BXCDSUQPRUMRMC-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778272 924473837 /nfs/dbraw/zinc/47/38/37/924473837.db2.gz BXCDSUQPRUMRMC-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778272 924473843 /nfs/dbraw/zinc/47/38/43/924473843.db2.gz BXCDSUQPRUMRMC-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778272 924473851 /nfs/dbraw/zinc/47/38/51/924473851.db2.gz BXCDSUQPRUMRMC-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778272 924473859 /nfs/dbraw/zinc/47/38/59/924473859.db2.gz BXCDSUQPRUMRMC-ZJUUUORDSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395780418 924475382 /nfs/dbraw/zinc/47/53/82/924475382.db2.gz VXSRUTIQAXIYNX-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC1 ZINC001395780440 924475531 /nfs/dbraw/zinc/47/55/31/924475531.db2.gz ISQWPVOZPRTJFG-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC1 ZINC001395780440 924475541 /nfs/dbraw/zinc/47/55/41/924475541.db2.gz ISQWPVOZPRTJFG-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395780415 924475736 /nfs/dbraw/zinc/47/57/36/924475736.db2.gz VXSRUTIQAXIYNX-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001395781976 924475803 /nfs/dbraw/zinc/47/58/03/924475803.db2.gz OYNWXRCTDXSYPL-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001395781976 924475807 /nfs/dbraw/zinc/47/58/07/924475807.db2.gz OYNWXRCTDXSYPL-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cccnn1 ZINC001395792519 924479197 /nfs/dbraw/zinc/47/91/97/924479197.db2.gz NWBBIEIHWVUXCT-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001395797913 924480666 /nfs/dbraw/zinc/48/06/66/924480666.db2.gz QLOONSBCGQAVKR-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn(C)nn2)C1 ZINC001395807580 924481777 /nfs/dbraw/zinc/48/17/77/924481777.db2.gz OGWNIIJLUCDLIN-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001395804618 924482390 /nfs/dbraw/zinc/48/23/90/924482390.db2.gz GOPPUMKOTZBODS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395804618 924482395 /nfs/dbraw/zinc/48/23/95/924482395.db2.gz GOPPUMKOTZBODS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395804618 924482397 /nfs/dbraw/zinc/48/23/97/924482397.db2.gz GOPPUMKOTZBODS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001395812667 924483445 /nfs/dbraw/zinc/48/34/45/924483445.db2.gz GXTNLURRCNLJBU-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnn(C)n2)C1 ZINC001395809078 924484149 /nfs/dbraw/zinc/48/41/49/924484149.db2.gz RJJXRGLDJFNWKW-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001395812653 924484192 /nfs/dbraw/zinc/48/41/92/924484192.db2.gz GXTNLURRCNLJBU-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001395809928 924484499 /nfs/dbraw/zinc/48/44/99/924484499.db2.gz UOHFJNWEOPLEJH-PWSUYJOCSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001395823316 924485722 /nfs/dbraw/zinc/48/57/22/924485722.db2.gz JNDQGCOODVOQFZ-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001395818055 924485789 /nfs/dbraw/zinc/48/57/89/924485789.db2.gz NNPAFRNBWRUBIH-NEPJUHHUSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001395826459 924485972 /nfs/dbraw/zinc/48/59/72/924485972.db2.gz NNACJFSAGBVYPX-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)CC[N@@H+]1C ZINC001395826459 924485976 /nfs/dbraw/zinc/48/59/76/924485976.db2.gz NNACJFSAGBVYPX-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)CC[N@H+]1C ZINC001395826459 924485981 /nfs/dbraw/zinc/48/59/81/924485981.db2.gz NNACJFSAGBVYPX-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001396022384 924499634 /nfs/dbraw/zinc/49/96/34/924499634.db2.gz ZSBXQJFLTDUOOE-GRYCIOLGSA-N 1 1 301.387 -1.092 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001396378964 924515847 /nfs/dbraw/zinc/51/58/47/924515847.db2.gz IIKWLJSKZXDHOD-GRYCIOLGSA-N 1 1 313.398 -1.071 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1 ZINC001396378973 924516311 /nfs/dbraw/zinc/51/63/11/924516311.db2.gz INXTXKMKZBVTNZ-QJPTWQEYSA-N 1 1 313.398 -1.213 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001396383551 924517368 /nfs/dbraw/zinc/51/73/68/924517368.db2.gz WZXWDGCSBMCXAE-VXGBXAGGSA-N 1 1 324.385 -1.542 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001396421606 924521560 /nfs/dbraw/zinc/52/15/60/924521560.db2.gz YJRYDUUJANLWJY-OUAUKWLOSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001396421606 924521568 /nfs/dbraw/zinc/52/15/68/924521568.db2.gz YJRYDUUJANLWJY-OUAUKWLOSA-N 1 1 301.343 -2.349 20 0 DAADMO CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001396430057 924524830 /nfs/dbraw/zinc/52/48/30/924524830.db2.gz GHDZBOORNCGCSU-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001396430057 924524839 /nfs/dbraw/zinc/52/48/39/924524839.db2.gz GHDZBOORNCGCSU-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001396435874 924526989 /nfs/dbraw/zinc/52/69/89/924526989.db2.gz HKOQZDPBTLSQFE-MNOVXSKESA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001396435874 924526998 /nfs/dbraw/zinc/52/69/98/924526998.db2.gz HKOQZDPBTLSQFE-MNOVXSKESA-N 1 1 310.358 -1.554 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001396435874 924527009 /nfs/dbraw/zinc/52/70/09/924527009.db2.gz HKOQZDPBTLSQFE-MNOVXSKESA-N 1 1 310.358 -1.554 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001396472608 924528347 /nfs/dbraw/zinc/52/83/47/924528347.db2.gz BFIYSKZFQDLSKM-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CNC(N)=O)C1 ZINC001396513737 924530170 /nfs/dbraw/zinc/53/01/70/924530170.db2.gz BSDFOTFWXUDDAK-AXFHLTTASA-N 1 1 311.386 -1.240 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001396634186 924533726 /nfs/dbraw/zinc/53/37/26/924533726.db2.gz CBYBFLPQVYIFLU-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001396914560 924548376 /nfs/dbraw/zinc/54/83/76/924548376.db2.gz BXGDGRRGCOPJNV-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001396930942 924549397 /nfs/dbraw/zinc/54/93/97/924549397.db2.gz ZABNPWYIRZEBNP-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001396930926 924550000 /nfs/dbraw/zinc/55/00/00/924550000.db2.gz YQUXHSSKDWUUES-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1ncn(C)c1=O ZINC001397003707 924552438 /nfs/dbraw/zinc/55/24/38/924552438.db2.gz XIIKLSLOKJFEKZ-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001397028484 924555309 /nfs/dbraw/zinc/55/53/09/924555309.db2.gz YDTPNHDKVPYVSD-NEPJUHHUSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001397124289 924558400 /nfs/dbraw/zinc/55/84/00/924558400.db2.gz WODYUDPCVUUUJY-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001397129313 924558500 /nfs/dbraw/zinc/55/85/00/924558500.db2.gz XIXHYODWNQBJCS-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001397208670 924562535 /nfs/dbraw/zinc/56/25/35/924562535.db2.gz FRXGJXHCHOIYDP-RYUDHWBXSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001397208670 924562545 /nfs/dbraw/zinc/56/25/45/924562545.db2.gz FRXGJXHCHOIYDP-RYUDHWBXSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001397214383 924562671 /nfs/dbraw/zinc/56/26/71/924562671.db2.gz QRWZNLAPFIESRX-JTQLQIEISA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001397214383 924562679 /nfs/dbraw/zinc/56/26/79/924562679.db2.gz QRWZNLAPFIESRX-JTQLQIEISA-N 1 1 323.353 -1.434 20 0 DAADMO C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)NC(N)=O ZINC001397206967 924563434 /nfs/dbraw/zinc/56/34/34/924563434.db2.gz DQTXJNWWIPURGC-AXFHLTTASA-N 1 1 311.386 -1.301 20 0 DAADMO Cn1cncc1CC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397209075 924563550 /nfs/dbraw/zinc/56/35/50/924563550.db2.gz HAJLSIBRGWWXRV-LBPRGKRZSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1cncc1CC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397209075 924563553 /nfs/dbraw/zinc/56/35/53/924563553.db2.gz HAJLSIBRGWWXRV-LBPRGKRZSA-N 1 1 323.397 -1.267 20 0 DAADMO COCC(=O)N1CCC[C@H]([N@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001397207978 924563829 /nfs/dbraw/zinc/56/38/29/924563829.db2.gz HCLOLIQMMMEOEW-JTQLQIEISA-N 1 1 316.358 -1.887 20 0 DAADMO COCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001397207978 924563836 /nfs/dbraw/zinc/56/38/36/924563836.db2.gz HCLOLIQMMMEOEW-JTQLQIEISA-N 1 1 316.358 -1.887 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001397240053 924565108 /nfs/dbraw/zinc/56/51/08/924565108.db2.gz CFXZSCAQXJFWMX-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001397240053 924565119 /nfs/dbraw/zinc/56/51/19/924565119.db2.gz CFXZSCAQXJFWMX-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001397249408 924565812 /nfs/dbraw/zinc/56/58/12/924565812.db2.gz OSXMSIQNMOVTJC-USWWRNFRSA-N 1 1 320.411 -1.383 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001397249408 924565820 /nfs/dbraw/zinc/56/58/20/924565820.db2.gz OSXMSIQNMOVTJC-USWWRNFRSA-N 1 1 320.411 -1.383 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001397249360 924565973 /nfs/dbraw/zinc/56/59/73/924565973.db2.gz OSXMSIQNMOVTJC-JLLWLGSASA-N 1 1 320.411 -1.383 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001397249360 924565981 /nfs/dbraw/zinc/56/59/81/924565981.db2.gz OSXMSIQNMOVTJC-JLLWLGSASA-N 1 1 320.411 -1.383 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001397259990 924566649 /nfs/dbraw/zinc/56/66/49/924566649.db2.gz UTQDGGCCXNLODI-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001397252936 924566710 /nfs/dbraw/zinc/56/67/10/924566710.db2.gz JTKHOMCGOLEDIU-AXFHLTTASA-N 1 1 311.386 -1.227 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C(F)F)CC1 ZINC001397273511 924566874 /nfs/dbraw/zinc/56/68/74/924566874.db2.gz PZSLIBNUWVHIGF-UHFFFAOYSA-N 1 1 322.312 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001397278124 924567031 /nfs/dbraw/zinc/56/70/31/924567031.db2.gz XSQHASMZIXJRNE-PHIMTYICSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001397323031 924569397 /nfs/dbraw/zinc/56/93/97/924569397.db2.gz HKFUATYIXKFOOU-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397374263 924572540 /nfs/dbraw/zinc/57/25/40/924572540.db2.gz CEOXNPGIANZJHQ-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397374263 924572546 /nfs/dbraw/zinc/57/25/46/924572546.db2.gz CEOXNPGIANZJHQ-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397394721 924573366 /nfs/dbraw/zinc/57/33/66/924573366.db2.gz VRIDFWDJCVQSGT-UWVGGRQHSA-N 1 1 305.400 -1.396 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397405118 924575644 /nfs/dbraw/zinc/57/56/44/924575644.db2.gz XHTMXOOUWFXWCE-WCBMZHEXSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397405118 924575648 /nfs/dbraw/zinc/57/56/48/924575648.db2.gz XHTMXOOUWFXWCE-WCBMZHEXSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397447006 924578700 /nfs/dbraw/zinc/57/87/00/924578700.db2.gz FZUKAIUQLCNBJZ-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)CCn1cnnn1 ZINC001397547175 924587402 /nfs/dbraw/zinc/58/74/02/924587402.db2.gz WOMSYOLDTCLXSH-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397532354 924587969 /nfs/dbraw/zinc/58/79/69/924587969.db2.gz JJHIXTINTDUXSO-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCNC(=O)C1 ZINC001397553143 924589237 /nfs/dbraw/zinc/58/92/37/924589237.db2.gz SLFTUPKWCUYVKQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO)C(N)=O ZINC001397547399 924589788 /nfs/dbraw/zinc/58/97/88/924589788.db2.gz HORPPTFCEPJCMG-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001397611528 924592634 /nfs/dbraw/zinc/59/26/34/924592634.db2.gz QEYQWXNAHYNHEZ-DTORHVGOSA-N 1 1 310.362 -1.877 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001397618275 924593023 /nfs/dbraw/zinc/59/30/23/924593023.db2.gz AXWCUXZJEYXOHI-KYZUINATSA-N 1 1 316.387 -1.761 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001397657025 924594126 /nfs/dbraw/zinc/59/41/26/924594126.db2.gz XWZZKPKZENRFJN-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCC(N)=O)cn1 ZINC001397721815 924595980 /nfs/dbraw/zinc/59/59/80/924595980.db2.gz CJBNFMMAJIRHDX-QWHCGFSZSA-N 1 1 322.413 -1.259 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001397778742 924598136 /nfs/dbraw/zinc/59/81/36/924598136.db2.gz YHRFUSJMGOSLMQ-MXWKQRLJSA-N 1 1 312.370 -2.122 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001397778742 924598144 /nfs/dbraw/zinc/59/81/44/924598144.db2.gz YHRFUSJMGOSLMQ-MXWKQRLJSA-N 1 1 312.370 -2.122 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001397770240 924598167 /nfs/dbraw/zinc/59/81/67/924598167.db2.gz OSKJLPGDLSOKTM-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001397770240 924598176 /nfs/dbraw/zinc/59/81/76/924598176.db2.gz OSKJLPGDLSOKTM-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001397767007 924598811 /nfs/dbraw/zinc/59/88/11/924598811.db2.gz ADZYZPBEFLCNKK-NSHDSACASA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001397767007 924598815 /nfs/dbraw/zinc/59/88/15/924598815.db2.gz ADZYZPBEFLCNKK-NSHDSACASA-N 1 1 309.370 -1.277 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001397765482 924598913 /nfs/dbraw/zinc/59/89/13/924598913.db2.gz KPEZWVFBFXJGAZ-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001397751108 924599114 /nfs/dbraw/zinc/59/91/14/924599114.db2.gz IGEGECOETUKFDZ-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC001397800697 924600687 /nfs/dbraw/zinc/60/06/87/924600687.db2.gz ZVOWPAYUTHLKSP-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001397802756 924600880 /nfs/dbraw/zinc/60/08/80/924600880.db2.gz OVYYUMMTFKPSLM-BDAKNGLRSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001397802756 924600886 /nfs/dbraw/zinc/60/08/86/924600886.db2.gz OVYYUMMTFKPSLM-BDAKNGLRSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001397786119 924600943 /nfs/dbraw/zinc/60/09/43/924600943.db2.gz FVZQBLQTXQXCHM-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001397810850 924600975 /nfs/dbraw/zinc/60/09/75/924600975.db2.gz JNNRMWVSMXEXQU-DGCLKSJQSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001397800494 924601187 /nfs/dbraw/zinc/60/11/87/924601187.db2.gz CPHVQCROZNWZNL-USWWRNFRSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001397800494 924601191 /nfs/dbraw/zinc/60/11/91/924601191.db2.gz CPHVQCROZNWZNL-USWWRNFRSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001397808327 924601433 /nfs/dbraw/zinc/60/14/33/924601433.db2.gz CMTXLZCZBITPQG-VIFPVBQESA-N 1 1 323.357 -1.074 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001397808327 924601438 /nfs/dbraw/zinc/60/14/38/924601438.db2.gz CMTXLZCZBITPQG-VIFPVBQESA-N 1 1 323.357 -1.074 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001397839140 924602539 /nfs/dbraw/zinc/60/25/39/924602539.db2.gz YVCDZMPGOBHFFR-MFAVDMRSSA-N 1 1 309.374 -1.281 20 0 DAADMO CC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397846906 924603094 /nfs/dbraw/zinc/60/30/94/924603094.db2.gz INNLHBQMKNLBJE-NSHDSACASA-N 1 1 300.359 -1.972 20 0 DAADMO CC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397846906 924603100 /nfs/dbraw/zinc/60/31/00/924603100.db2.gz INNLHBQMKNLBJE-NSHDSACASA-N 1 1 300.359 -1.972 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C1=COCCO1 ZINC001397881884 924606406 /nfs/dbraw/zinc/60/64/06/924606406.db2.gz IIIMPLXHGHPYEB-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C1=COCCO1 ZINC001397881884 924606410 /nfs/dbraw/zinc/60/64/10/924606410.db2.gz IIIMPLXHGHPYEB-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)CN1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001397898299 924608223 /nfs/dbraw/zinc/60/82/23/924608223.db2.gz PHWMUNZRQHSZBQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO Cc1nnc(CC(=O)N(C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001397891375 924608509 /nfs/dbraw/zinc/60/85/09/924608509.db2.gz XYVUWGPUAMDRDV-NSHDSACASA-N 1 1 324.385 -1.439 20 0 DAADMO Cc1nnc(CC(=O)N(C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001397891375 924608513 /nfs/dbraw/zinc/60/85/13/924608513.db2.gz XYVUWGPUAMDRDV-NSHDSACASA-N 1 1 324.385 -1.439 20 0 DAADMO C[C@@H](CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001397907703 924609671 /nfs/dbraw/zinc/60/96/71/924609671.db2.gz FBWUCOFNBYLWLQ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001397924875 924613230 /nfs/dbraw/zinc/61/32/30/924613230.db2.gz TUEPFPVJYDHWRV-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncn(C)c1=O ZINC001397930169 924613262 /nfs/dbraw/zinc/61/32/62/924613262.db2.gz SVRYETIWHKCHED-NSHDSACASA-N 1 1 324.385 -1.892 20 0 DAADMO CN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397934400 924613494 /nfs/dbraw/zinc/61/34/94/924613494.db2.gz DNPSRJTWPOZGQV-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397992246 924617756 /nfs/dbraw/zinc/61/77/56/924617756.db2.gz PCJUJUDLWDXHGA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001398002366 924619602 /nfs/dbraw/zinc/61/96/02/924619602.db2.gz JEEALQYCMZJTAW-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001398095014 924625169 /nfs/dbraw/zinc/62/51/69/924625169.db2.gz PEFBFZYTKXRBFQ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CCNC(=O)NC)CC1 ZINC001398194144 924627491 /nfs/dbraw/zinc/62/74/91/924627491.db2.gz HOURYFCCUJEHKD-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001398230387 924629356 /nfs/dbraw/zinc/62/93/56/924629356.db2.gz JEVDRKSCSUQMIC-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001398230387 924629360 /nfs/dbraw/zinc/62/93/60/924629360.db2.gz JEVDRKSCSUQMIC-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001398242040 924630499 /nfs/dbraw/zinc/63/04/99/924630499.db2.gz ZOKBDLYVQSSAFX-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001398242040 924630507 /nfs/dbraw/zinc/63/05/07/924630507.db2.gz ZOKBDLYVQSSAFX-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CCNC(=O)C2CC2)C1 ZINC001398236686 924630777 /nfs/dbraw/zinc/63/07/77/924630777.db2.gz UCHIKAQIAYGKJE-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001398236686 924630784 /nfs/dbraw/zinc/63/07/84/924630784.db2.gz UCHIKAQIAYGKJE-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001398286037 924633741 /nfs/dbraw/zinc/63/37/41/924633741.db2.gz BRQAKQCALOCCNX-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001398286037 924633751 /nfs/dbraw/zinc/63/37/51/924633751.db2.gz BRQAKQCALOCCNX-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(CCNC(=O)CCc2nc[nH]n2)CC1 ZINC001398278866 924634597 /nfs/dbraw/zinc/63/45/97/924634597.db2.gz MPQKGJZIGWHHGV-GFCCVEGCSA-N 1 1 310.402 -1.148 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001398298824 924636115 /nfs/dbraw/zinc/63/61/15/924636115.db2.gz UGGTYADQTXEQMU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001398298824 924636121 /nfs/dbraw/zinc/63/61/21/924636121.db2.gz UGGTYADQTXEQMU-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398300426 924636303 /nfs/dbraw/zinc/63/63/03/924636303.db2.gz KDAZHEDQIPCBDK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398300426 924636308 /nfs/dbraw/zinc/63/63/08/924636308.db2.gz KDAZHEDQIPCBDK-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398297725 924636775 /nfs/dbraw/zinc/63/67/75/924636775.db2.gz FGKCWLQFSSWPLN-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398297725 924636777 /nfs/dbraw/zinc/63/67/77/924636777.db2.gz FGKCWLQFSSWPLN-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001398315984 924637035 /nfs/dbraw/zinc/63/70/35/924637035.db2.gz NIHBKOJJFPXGEF-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001398315984 924637040 /nfs/dbraw/zinc/63/70/40/924637040.db2.gz NIHBKOJJFPXGEF-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338969 924638680 /nfs/dbraw/zinc/63/86/80/924638680.db2.gz ORDQJMNHIKVPEA-ZJUUUORDSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338969 924638685 /nfs/dbraw/zinc/63/86/85/924638685.db2.gz ORDQJMNHIKVPEA-ZJUUUORDSA-N 1 1 322.369 -1.013 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 ZINC001398399405 924640641 /nfs/dbraw/zinc/64/06/41/924640641.db2.gz KRRKNCLCBKMEMJ-QWRGUYRKSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001398411518 924640748 /nfs/dbraw/zinc/64/07/48/924640748.db2.gz RZCCMCNMZPBYOE-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)c1N ZINC001398387208 924640965 /nfs/dbraw/zinc/64/09/65/924640965.db2.gz PZSKFYMDIIZSNI-JTQLQIEISA-N 1 1 319.373 -1.176 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001398464244 924642430 /nfs/dbraw/zinc/64/24/30/924642430.db2.gz XKUFIOLXUAECMU-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001398436930 924643433 /nfs/dbraw/zinc/64/34/33/924643433.db2.gz OMMPESGWJOOXAA-QWRGUYRKSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001398538596 924646310 /nfs/dbraw/zinc/64/63/10/924646310.db2.gz YJMQZGZRGLJBJZ-BDAKNGLRSA-N 1 1 310.362 -1.480 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398562247 924648937 /nfs/dbraw/zinc/64/89/37/924648937.db2.gz NYSQBRQMVYJUEH-VIFPVBQESA-N 1 1 303.384 -1.690 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001398586724 924652543 /nfs/dbraw/zinc/65/25/43/924652543.db2.gz MHNZDONAYWAJKJ-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001398581230 924652827 /nfs/dbraw/zinc/65/28/27/924652827.db2.gz SKUGZDOREFMYKQ-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398603756 924655732 /nfs/dbraw/zinc/65/57/32/924655732.db2.gz ITXQJPJNHUWXDV-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001398669275 924663084 /nfs/dbraw/zinc/66/30/84/924663084.db2.gz HNYRNFNANZXHFS-KXUCPTDWSA-N 1 1 324.389 -1.216 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001398689971 924663551 /nfs/dbraw/zinc/66/35/51/924663551.db2.gz PJUQNMMRLKSNOF-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001398669395 924663589 /nfs/dbraw/zinc/66/35/89/924663589.db2.gz YFSQRBLNMLXWMD-JTQLQIEISA-N 1 1 313.358 -1.854 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001398669395 924663596 /nfs/dbraw/zinc/66/35/96/924663596.db2.gz YFSQRBLNMLXWMD-JTQLQIEISA-N 1 1 313.358 -1.854 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001398699045 924665155 /nfs/dbraw/zinc/66/51/55/924665155.db2.gz WCCDDFSPBPKHNB-LLVKDONJSA-N 1 1 324.385 -1.412 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001398699067 924665302 /nfs/dbraw/zinc/66/53/02/924665302.db2.gz WCCDDFSPBPKHNB-NSHDSACASA-N 1 1 324.385 -1.412 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001398693508 924665461 /nfs/dbraw/zinc/66/54/61/924665461.db2.gz OIJLXASMAQFOFY-GFCCVEGCSA-N 1 1 311.386 -1.208 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 ZINC001398724982 924666466 /nfs/dbraw/zinc/66/64/66/924666466.db2.gz HGOIUNDKZUMXPW-SNVBAGLBSA-N 1 1 324.389 -1.403 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001398715668 924667110 /nfs/dbraw/zinc/66/71/10/924667110.db2.gz YNOGNEHYVUHFMY-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398746387 924668160 /nfs/dbraw/zinc/66/81/60/924668160.db2.gz CGEUWQAHHJNLQV-ONGXEEELSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398746385 924668320 /nfs/dbraw/zinc/66/83/20/924668320.db2.gz CGEUWQAHHJNLQV-GXSJLCMTSA-N 1 1 311.386 -1.431 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001398735304 924668924 /nfs/dbraw/zinc/66/89/24/924668924.db2.gz QOVGFNMNAUXPLX-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001398735304 924668931 /nfs/dbraw/zinc/66/89/31/924668931.db2.gz QOVGFNMNAUXPLX-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001398800305 924673478 /nfs/dbraw/zinc/67/34/78/924673478.db2.gz KWSMKSSNQBVKNK-UHFFFAOYSA-N 1 1 309.374 -1.260 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001398806505 924673838 /nfs/dbraw/zinc/67/38/38/924673838.db2.gz OIQICMIMJAGKSS-ZXPJVPCYSA-N 1 1 313.398 -1.045 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001398798279 924673885 /nfs/dbraw/zinc/67/38/85/924673885.db2.gz YXHNSOWISGFGLL-PREPNJAASA-N 1 1 323.397 -1.290 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001398813673 924674024 /nfs/dbraw/zinc/67/40/24/924674024.db2.gz NAGNVEXULUERFW-ZIQFBCGOSA-N 1 1 312.370 -1.936 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001398806327 924674059 /nfs/dbraw/zinc/67/40/59/924674059.db2.gz ZZKZEFLRGINBFY-UHFFFAOYSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)[NH2+][C@@H](C)c1nnnn1C ZINC001398901071 924677214 /nfs/dbraw/zinc/67/72/14/924677214.db2.gz DKJRRAMTCFGMHN-SFYZADRCSA-N 1 1 307.362 -1.005 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001398943400 924681119 /nfs/dbraw/zinc/68/11/19/924681119.db2.gz CTZABPMDAXNSHH-NXEZZACHSA-N 1 1 310.358 -1.335 20 0 DAADMO CC[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001398960710 924681962 /nfs/dbraw/zinc/68/19/62/924681962.db2.gz XHQDMXBSOANUQJ-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001398960710 924681970 /nfs/dbraw/zinc/68/19/70/924681970.db2.gz XHQDMXBSOANUQJ-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001398972455 924682685 /nfs/dbraw/zinc/68/26/85/924682685.db2.gz HPSQNQONLJPCFV-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001398961238 924683029 /nfs/dbraw/zinc/68/30/29/924683029.db2.gz QXIXQLMIDDWTLB-MRVPVSSYSA-N 1 1 304.376 -1.596 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001399016673 924684513 /nfs/dbraw/zinc/68/45/13/924684513.db2.gz CBUCWUVHFUFIEJ-ZJUUUORDSA-N 1 1 317.415 -1.048 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1ncnn1CCF ZINC001399016119 924684874 /nfs/dbraw/zinc/68/48/74/924684874.db2.gz AYGNHIZMKDQFIE-QMMMGPOBSA-N 1 1 311.325 -1.321 20 0 DAADMO Cc1cnc(C[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)nc1 ZINC001399026160 924686170 /nfs/dbraw/zinc/68/61/70/924686170.db2.gz NMKGJSGBSHQIKT-GFCCVEGCSA-N 1 1 320.397 -1.189 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001399106984 924689812 /nfs/dbraw/zinc/68/98/12/924689812.db2.gz KVQUGBHMTCKWIQ-SECBINFHSA-N 1 1 301.372 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001399094119 924689828 /nfs/dbraw/zinc/68/98/28/924689828.db2.gz DFMZFMSVTRWACT-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399243772 924692932 /nfs/dbraw/zinc/69/29/32/924692932.db2.gz BBIAJFGCPJJVNR-GHMZBOCLSA-N 1 1 309.374 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001399213082 924693058 /nfs/dbraw/zinc/69/30/58/924693058.db2.gz AOVWTXGZZVQJFE-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CNC(=O)C3CC3)C2)n1 ZINC001399237310 924693426 /nfs/dbraw/zinc/69/34/26/924693426.db2.gz WWKNEZBGIQHUHA-SNVBAGLBSA-N 1 1 321.385 -1.326 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001399277737 924694948 /nfs/dbraw/zinc/69/49/48/924694948.db2.gz AIAYSYDIGFRGFQ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001399277737 924694956 /nfs/dbraw/zinc/69/49/56/924694956.db2.gz AIAYSYDIGFRGFQ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001399281630 924695141 /nfs/dbraw/zinc/69/51/41/924695141.db2.gz DXCYCHPZRKZKKX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001399281630 924695144 /nfs/dbraw/zinc/69/51/44/924695144.db2.gz DXCYCHPZRKZKKX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399258041 924695590 /nfs/dbraw/zinc/69/55/90/924695590.db2.gz KWQCSYVESUYEOG-VHSXEESVSA-N 1 1 324.389 -1.344 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399360554 924698468 /nfs/dbraw/zinc/69/84/68/924698468.db2.gz STZJKJZIMITSQE-KOLCDFICSA-N 1 1 324.385 -1.074 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399360554 924698471 /nfs/dbraw/zinc/69/84/71/924698471.db2.gz STZJKJZIMITSQE-KOLCDFICSA-N 1 1 324.385 -1.074 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnn(C)n1 ZINC001399383169 924699602 /nfs/dbraw/zinc/69/96/02/924699602.db2.gz KQOQZKVJMWSFFB-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](CCNC(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001399385737 924699938 /nfs/dbraw/zinc/69/99/38/924699938.db2.gz AVRPFJVRNMKVNW-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](CCNC(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001399385758 924700479 /nfs/dbraw/zinc/70/04/79/924700479.db2.gz AVRPFJVRNMKVNW-VHSXEESVSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@H](CCNC(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001399385767 924700674 /nfs/dbraw/zinc/70/06/74/924700674.db2.gz AVRPFJVRNMKVNW-ZJUUUORDSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001399401717 924700957 /nfs/dbraw/zinc/70/09/57/924700957.db2.gz MMMGFNKOYRIPPE-VIFPVBQESA-N 1 1 318.403 -1.206 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001399401717 924700972 /nfs/dbraw/zinc/70/09/72/924700972.db2.gz MMMGFNKOYRIPPE-VIFPVBQESA-N 1 1 318.403 -1.206 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(C)=O ZINC001399440459 924703509 /nfs/dbraw/zinc/70/35/09/924703509.db2.gz ZTFKSQTWZRHMBQ-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001399440459 924703515 /nfs/dbraw/zinc/70/35/15/924703515.db2.gz ZTFKSQTWZRHMBQ-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001399434356 924703690 /nfs/dbraw/zinc/70/36/90/924703690.db2.gz DBGPWTXEIYIGJB-JTQLQIEISA-N 1 1 310.358 -1.052 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)n1cccn1 ZINC001399434356 924703699 /nfs/dbraw/zinc/70/36/99/924703699.db2.gz DBGPWTXEIYIGJB-JTQLQIEISA-N 1 1 310.358 -1.052 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001399438444 924703743 /nfs/dbraw/zinc/70/37/43/924703743.db2.gz NVDFGRPGOZQNRB-QWRGUYRKSA-N 1 1 312.370 -1.131 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@H]1CCNC(=O)CC1 ZINC001399478114 924703887 /nfs/dbraw/zinc/70/38/87/924703887.db2.gz ASGOGEASXWJGQN-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO Cc1nnsc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001399447770 924704117 /nfs/dbraw/zinc/70/41/17/924704117.db2.gz OQLISZRMBKPOQV-UHFFFAOYSA-N 1 1 300.344 -1.297 20 0 DAADMO Cc1nnsc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001399447770 924704121 /nfs/dbraw/zinc/70/41/21/924704121.db2.gz OQLISZRMBKPOQV-UHFFFAOYSA-N 1 1 300.344 -1.297 20 0 DAADMO CN(CCCS(C)(=O)=O)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399465315 924704236 /nfs/dbraw/zinc/70/42/36/924704236.db2.gz ZGIYCFKNFHLYBV-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CN(CCCS(C)(=O)=O)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399465315 924704242 /nfs/dbraw/zinc/70/42/42/924704242.db2.gz ZGIYCFKNFHLYBV-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399441376 924704385 /nfs/dbraw/zinc/70/43/85/924704385.db2.gz NUWBWHNVTMUFMY-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399441376 924704394 /nfs/dbraw/zinc/70/43/94/924704394.db2.gz NUWBWHNVTMUFMY-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CCNC1=O ZINC001399507314 924706809 /nfs/dbraw/zinc/70/68/09/924706809.db2.gz OZCHBSYPIPGEAJ-NXEZZACHSA-N 1 1 322.369 -1.517 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CCNC1=O ZINC001399507314 924706817 /nfs/dbraw/zinc/70/68/17/924706817.db2.gz OZCHBSYPIPGEAJ-NXEZZACHSA-N 1 1 322.369 -1.517 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CN2CCCNC2=O)C1=O ZINC001399510772 924707200 /nfs/dbraw/zinc/70/72/00/924707200.db2.gz GJOCMTWOOZTRCC-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CN2CCCNC2=O)C1=O ZINC001399510772 924707212 /nfs/dbraw/zinc/70/72/12/924707212.db2.gz GJOCMTWOOZTRCC-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO COc1nc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)co1 ZINC001399520685 924708086 /nfs/dbraw/zinc/70/80/86/924708086.db2.gz DOJXEFSNLHQBSJ-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)co1 ZINC001399520685 924708096 /nfs/dbraw/zinc/70/80/96/924708096.db2.gz DOJXEFSNLHQBSJ-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001399545975 924708240 /nfs/dbraw/zinc/70/82/40/924708240.db2.gz WHGCDBQQAZOJCA-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001399545975 924708245 /nfs/dbraw/zinc/70/82/45/924708245.db2.gz WHGCDBQQAZOJCA-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO Cn1c(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cccc1=O ZINC001399576845 924711744 /nfs/dbraw/zinc/71/17/44/924711744.db2.gz HZHKOFNGWNPQLK-UHFFFAOYSA-N 1 1 309.326 -1.758 20 0 DAADMO Cn1c(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cccc1=O ZINC001399576845 924711750 /nfs/dbraw/zinc/71/17/50/924711750.db2.gz HZHKOFNGWNPQLK-UHFFFAOYSA-N 1 1 309.326 -1.758 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C(C)(C)NC(C)=O ZINC001399603409 924711909 /nfs/dbraw/zinc/71/19/09/924711909.db2.gz JVZQYRVLUWSSML-UHFFFAOYSA-N 1 1 315.374 -1.595 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)NC(C)=O ZINC001399603409 924711913 /nfs/dbraw/zinc/71/19/13/924711913.db2.gz JVZQYRVLUWSSML-UHFFFAOYSA-N 1 1 315.374 -1.595 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001399640416 924712852 /nfs/dbraw/zinc/71/28/52/924712852.db2.gz YFFOWTBFQVZOAF-SNVBAGLBSA-N 1 1 316.358 -2.016 20 0 DAADMO COc1cccnc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001399640837 924714188 /nfs/dbraw/zinc/71/41/88/924714188.db2.gz AFALOAXUDHBINI-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO COc1cccnc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001399640837 924714197 /nfs/dbraw/zinc/71/41/97/924714197.db2.gz AFALOAXUDHBINI-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)n(C)c1=O ZINC001399656203 924715370 /nfs/dbraw/zinc/71/53/70/924715370.db2.gz FIIPJINBECHXIV-JTQLQIEISA-N 1 1 309.370 -1.336 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)n(C)c1=O ZINC001399656203 924715375 /nfs/dbraw/zinc/71/53/75/924715375.db2.gz FIIPJINBECHXIV-JTQLQIEISA-N 1 1 309.370 -1.336 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CCCNC1=O ZINC001399657956 924716000 /nfs/dbraw/zinc/71/60/00/924716000.db2.gz XOWLHADRGKRIPZ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@H]1CCCNC1=O ZINC001399657956 924716009 /nfs/dbraw/zinc/71/60/09/924716009.db2.gz XOWLHADRGKRIPZ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCCNC1=O ZINC001399656554 924716053 /nfs/dbraw/zinc/71/60/53/924716053.db2.gz JKDWHLXRYVOKJG-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCCNC1=O ZINC001399656554 924716059 /nfs/dbraw/zinc/71/60/59/924716059.db2.gz JKDWHLXRYVOKJG-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCCNC1=O ZINC001399656553 924716078 /nfs/dbraw/zinc/71/60/78/924716078.db2.gz JKDWHLXRYVOKJG-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCCNC1=O ZINC001399656553 924716086 /nfs/dbraw/zinc/71/60/86/924716086.db2.gz JKDWHLXRYVOKJG-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001399694429 924717277 /nfs/dbraw/zinc/71/72/77/924717277.db2.gz GKUIODMIOSUBGK-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001399694429 924717280 /nfs/dbraw/zinc/71/72/80/924717280.db2.gz GKUIODMIOSUBGK-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CCNC(=O)CCNC(=O)NC)CC(=O)N1CCC1 ZINC001399705165 924718434 /nfs/dbraw/zinc/71/84/34/924718434.db2.gz LPERXBNJAKUOEX-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(=O)NC)CC(=O)N1CCC1 ZINC001399705165 924718440 /nfs/dbraw/zinc/71/84/40/924718440.db2.gz LPERXBNJAKUOEX-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCN1CC(F)F)CC(N)=O ZINC001399727538 924720330 /nfs/dbraw/zinc/72/03/30/924720330.db2.gz APNPUUSIEURKDU-SNVBAGLBSA-N 1 1 322.356 -1.124 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCN1CC(F)F)CC(N)=O ZINC001399727538 924720336 /nfs/dbraw/zinc/72/03/36/924720336.db2.gz APNPUUSIEURKDU-SNVBAGLBSA-N 1 1 322.356 -1.124 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399718049 924720619 /nfs/dbraw/zinc/72/06/19/924720619.db2.gz ZTFBTSXXMBTHMK-MNOVXSKESA-N 1 1 311.386 -1.464 20 0 DAADMO CC[N@H+](CCNC(=O)c1n[nH]cc1F)CC(=O)NC(N)=O ZINC001399758921 924723150 /nfs/dbraw/zinc/72/31/50/924723150.db2.gz JHBOKGCKEDTFLV-UHFFFAOYSA-N 1 1 300.294 -1.205 20 0 DAADMO CC[N@@H+](CCNC(=O)c1n[nH]cc1F)CC(=O)NC(N)=O ZINC001399758921 924723163 /nfs/dbraw/zinc/72/31/63/924723163.db2.gz JHBOKGCKEDTFLV-UHFFFAOYSA-N 1 1 300.294 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766602 924724570 /nfs/dbraw/zinc/72/45/70/924724570.db2.gz YUEXZLJPVKTXNY-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766602 924724579 /nfs/dbraw/zinc/72/45/79/924724579.db2.gz YUEXZLJPVKTXNY-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767770 924724678 /nfs/dbraw/zinc/72/46/78/924724678.db2.gz NNCGCFNQAMNJLZ-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767770 924724687 /nfs/dbraw/zinc/72/46/87/924724687.db2.gz NNCGCFNQAMNJLZ-YPMHNXCESA-N 1 1 322.365 -1.381 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[C@@H](O)COC ZINC001399769066 924724855 /nfs/dbraw/zinc/72/48/55/924724855.db2.gz FNIMETXZWJHECO-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399769861 924725237 /nfs/dbraw/zinc/72/52/37/924725237.db2.gz FXGQRZAANMCEIF-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399769861 924725244 /nfs/dbraw/zinc/72/52/44/924725244.db2.gz FXGQRZAANMCEIF-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1c[nH]cn1)[C@@H](C)C(=O)NC(N)=O ZINC001399782738 924727607 /nfs/dbraw/zinc/72/76/07/924727607.db2.gz VNQUBNPSXFBGCZ-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1c[nH]cn1)[C@@H](C)C(=O)NC(N)=O ZINC001399782738 924727615 /nfs/dbraw/zinc/72/76/15/924727615.db2.gz VNQUBNPSXFBGCZ-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001399787674 924729350 /nfs/dbraw/zinc/72/93/50/924729350.db2.gz IWKUBQWYXJIOHF-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CC(=O)NC(N)=O ZINC001399787674 924729356 /nfs/dbraw/zinc/72/93/56/924729356.db2.gz IWKUBQWYXJIOHF-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399795726 924730974 /nfs/dbraw/zinc/73/09/74/924730974.db2.gz JSDWLGFWJGEURX-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2ccon2)C1 ZINC001399801202 924733023 /nfs/dbraw/zinc/73/30/23/924733023.db2.gz GKSIYPRQXSCYNP-ZYHUDNBSSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399801954 924733380 /nfs/dbraw/zinc/73/33/80/924733380.db2.gz PBXDHJIAQBCSDK-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001399807346 924735697 /nfs/dbraw/zinc/73/56/97/924735697.db2.gz SKHQIHQTWHTJDA-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001399817546 924737655 /nfs/dbraw/zinc/73/76/55/924737655.db2.gz BVYRHEAHOWKZQE-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001399818803 924737814 /nfs/dbraw/zinc/73/78/14/924737814.db2.gz JHLQTGXKNLFUQP-YPMHNXCESA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001399818799 924738190 /nfs/dbraw/zinc/73/81/90/924738190.db2.gz JHLQTGXKNLFUQP-WCQYABFASA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001399821774 924738251 /nfs/dbraw/zinc/73/82/51/924738251.db2.gz FJGJEEFQONTFOI-CMPLNLGQSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001399816599 924738384 /nfs/dbraw/zinc/73/83/84/924738384.db2.gz XNEARBCXKDTHGL-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001399825555 924740174 /nfs/dbraw/zinc/74/01/74/924740174.db2.gz IZXWUOWESFEWCP-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001399827474 924740349 /nfs/dbraw/zinc/74/03/49/924740349.db2.gz LYWZIFBDAOHBDA-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001399827474 924740354 /nfs/dbraw/zinc/74/03/54/924740354.db2.gz LYWZIFBDAOHBDA-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCCF)C1 ZINC001399846584 924744671 /nfs/dbraw/zinc/74/46/71/924744671.db2.gz VAGWWPFSWLJZTO-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCCF)C1 ZINC001399846584 924744676 /nfs/dbraw/zinc/74/46/76/924744676.db2.gz VAGWWPFSWLJZTO-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001399847620 924744788 /nfs/dbraw/zinc/74/47/88/924744788.db2.gz FPIPMCLXSYAQOX-RKDXNWHRSA-N 1 1 311.346 -2.489 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001399849188 924744824 /nfs/dbraw/zinc/74/48/24/924744824.db2.gz KEMWWHQHSDNJHV-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853109 924746700 /nfs/dbraw/zinc/74/67/00/924746700.db2.gz FPQIGHPDVQSTBY-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853109 924746695 /nfs/dbraw/zinc/74/66/95/924746695.db2.gz FPQIGHPDVQSTBY-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001399853983 924746792 /nfs/dbraw/zinc/74/67/92/924746792.db2.gz HOQUNEFVXQIHQW-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC001399864050 924747959 /nfs/dbraw/zinc/74/79/59/924747959.db2.gz MIGAKTKCHCLKRX-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001399863567 924748211 /nfs/dbraw/zinc/74/82/11/924748211.db2.gz DBSLQBYNSKNNJK-JTQLQIEISA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001399863567 924748215 /nfs/dbraw/zinc/74/82/15/924748215.db2.gz DBSLQBYNSKNNJK-JTQLQIEISA-N 1 1 322.369 -1.012 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001399865539 924748826 /nfs/dbraw/zinc/74/88/26/924748826.db2.gz RIYHMWCNJCZFIE-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001399865539 924748834 /nfs/dbraw/zinc/74/88/34/924748834.db2.gz RIYHMWCNJCZFIE-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001399872097 924749682 /nfs/dbraw/zinc/74/96/82/924749682.db2.gz RTHKRXRSMBREMZ-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1cnn[nH]1 ZINC001399868692 924749825 /nfs/dbraw/zinc/74/98/25/924749825.db2.gz YUWZCUQMHXYCMA-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001399869880 924750336 /nfs/dbraw/zinc/75/03/36/924750336.db2.gz FAKYNDYGSFYLQF-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869880 924750341 /nfs/dbraw/zinc/75/03/41/924750341.db2.gz FAKYNDYGSFYLQF-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869880 924750346 /nfs/dbraw/zinc/75/03/46/924750346.db2.gz FAKYNDYGSFYLQF-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001399868414 924750807 /nfs/dbraw/zinc/75/08/07/924750807.db2.gz KODVUEKGSJLTEL-WDEREUQCSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001399868414 924750812 /nfs/dbraw/zinc/75/08/12/924750812.db2.gz KODVUEKGSJLTEL-WDEREUQCSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875913 924751530 /nfs/dbraw/zinc/75/15/30/924751530.db2.gz WPNIDJYRGOHLEF-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875913 924751538 /nfs/dbraw/zinc/75/15/38/924751538.db2.gz WPNIDJYRGOHLEF-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)COC ZINC001399875679 924751558 /nfs/dbraw/zinc/75/15/58/924751558.db2.gz VXPIVVIAEAQWMA-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001399882743 924751797 /nfs/dbraw/zinc/75/17/97/924751797.db2.gz QCYPZRZGMPRCLE-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001399889226 924753695 /nfs/dbraw/zinc/75/36/95/924753695.db2.gz FDUKHNQOGKPDCX-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001399883796 924753758 /nfs/dbraw/zinc/75/37/58/924753758.db2.gz YLDIPWFTAGUFBH-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399889055 924754047 /nfs/dbraw/zinc/75/40/47/924754047.db2.gz DWSAOLXPALBVHC-SECBINFHSA-N 1 1 323.357 -1.455 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399889055 924754050 /nfs/dbraw/zinc/75/40/50/924754050.db2.gz DWSAOLXPALBVHC-SECBINFHSA-N 1 1 323.357 -1.455 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001399887659 924754259 /nfs/dbraw/zinc/75/42/59/924754259.db2.gz VMVLDBNBYBMZCT-LLVKDONJSA-N 1 1 321.341 -1.923 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001399888505 924754302 /nfs/dbraw/zinc/75/43/02/924754302.db2.gz CSRMYONBKOSNMT-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](O)C(C)C)C1 ZINC001399893359 924754677 /nfs/dbraw/zinc/75/46/77/924754677.db2.gz JKJDRWOUMMNKTP-CMPLNLGQSA-N 1 1 314.386 -1.103 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399898287 924755585 /nfs/dbraw/zinc/75/55/85/924755585.db2.gz NLXLIQJBMZDNLD-VIFPVBQESA-N 1 1 308.342 -1.333 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399903314 924755860 /nfs/dbraw/zinc/75/58/60/924755860.db2.gz PMHCIMJNEHEABN-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001399902221 924755882 /nfs/dbraw/zinc/75/58/82/924755882.db2.gz YKFYHRBNUOSYEC-OLZOCXBDSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001399904134 924756222 /nfs/dbraw/zinc/75/62/22/924756222.db2.gz XXYSZSNZVHDTEP-SECBINFHSA-N 1 1 306.388 -2.199 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399897212 924756339 /nfs/dbraw/zinc/75/63/39/924756339.db2.gz LGKSMAMSPWXVFN-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399918922 924757705 /nfs/dbraw/zinc/75/77/05/924757705.db2.gz MAKQTMQMTUIFPL-DCQANWLSSA-N 1 1 324.381 -1.228 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399919938 924757733 /nfs/dbraw/zinc/75/77/33/924757733.db2.gz BCHXZBSQWQVKFG-BDAKNGLRSA-N 1 1 306.388 -2.153 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399923745 924758241 /nfs/dbraw/zinc/75/82/41/924758241.db2.gz FKDCPWPSCCDXMV-VIFPVBQESA-N 1 1 321.403 -2.694 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001399930516 924759106 /nfs/dbraw/zinc/75/91/06/924759106.db2.gz WPGIRTOSQIEIEB-MNOVXSKESA-N 1 1 322.369 -2.092 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NCC1CC1 ZINC001399932037 924759740 /nfs/dbraw/zinc/75/97/40/924759740.db2.gz QIDGGBFSTFBGSC-NEPJUHHUSA-N 1 1 323.397 -1.368 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399929512 924759921 /nfs/dbraw/zinc/75/99/21/924759921.db2.gz WYNBDFGSPMIBCR-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399929512 924759929 /nfs/dbraw/zinc/75/99/29/924759929.db2.gz WYNBDFGSPMIBCR-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001399937181 924760382 /nfs/dbraw/zinc/76/03/82/924760382.db2.gz DUTFYASZWBNTGS-JTQLQIEISA-N 1 1 317.353 -1.410 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001399929169 924760527 /nfs/dbraw/zinc/76/05/27/924760527.db2.gz ZNVDTCBEMRQJKJ-NOZJJQNGSA-N 1 1 316.333 -1.252 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399973678 924761374 /nfs/dbraw/zinc/76/13/74/924761374.db2.gz OFVCIIFGQQTBOF-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(N)=O ZINC001399956581 924761395 /nfs/dbraw/zinc/76/13/95/924761395.db2.gz QTHLAAQPNWYJHB-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(N)=O ZINC001399956581 924761403 /nfs/dbraw/zinc/76/14/03/924761403.db2.gz QTHLAAQPNWYJHB-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CCC[N@H+](CCNC(=O)c1ncn(C)n1)CC(=O)NC(N)=O ZINC001399956067 924761844 /nfs/dbraw/zinc/76/18/44/924761844.db2.gz HKSKANCOUOHUGC-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1ncn(C)n1)CC(=O)NC(N)=O ZINC001399956067 924761852 /nfs/dbraw/zinc/76/18/52/924761852.db2.gz HKSKANCOUOHUGC-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001399978440 924762189 /nfs/dbraw/zinc/76/21/89/924762189.db2.gz VXBREBLXDCWCSR-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ccn(C)n1 ZINC001399978440 924762193 /nfs/dbraw/zinc/76/21/93/924762193.db2.gz VXBREBLXDCWCSR-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)Cc1ccon1)C1CC1 ZINC001399988908 924763101 /nfs/dbraw/zinc/76/31/01/924763101.db2.gz KIVOELUPXWABKO-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)Cc1ccon1)C1CC1 ZINC001399988908 924763108 /nfs/dbraw/zinc/76/31/08/924763108.db2.gz KIVOELUPXWABKO-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001399986864 924763386 /nfs/dbraw/zinc/76/33/86/924763386.db2.gz CLCAPMWLNNHHPC-SNVBAGLBSA-N 1 1 314.342 -1.823 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001399986864 924763389 /nfs/dbraw/zinc/76/33/89/924763389.db2.gz CLCAPMWLNNHHPC-SNVBAGLBSA-N 1 1 314.342 -1.823 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)CNC(C)=O)C1CC1 ZINC001399989521 924763438 /nfs/dbraw/zinc/76/34/38/924763438.db2.gz OXHVKUDWIUTALN-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)CNC(C)=O)C1CC1 ZINC001399989521 924763444 /nfs/dbraw/zinc/76/34/44/924763444.db2.gz OXHVKUDWIUTALN-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001399986837 924763835 /nfs/dbraw/zinc/76/38/35/924763835.db2.gz CLCAPMWLNNHHPC-JTQLQIEISA-N 1 1 314.342 -1.823 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001399986837 924763841 /nfs/dbraw/zinc/76/38/41/924763841.db2.gz CLCAPMWLNNHHPC-JTQLQIEISA-N 1 1 314.342 -1.823 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001400005688 924764146 /nfs/dbraw/zinc/76/41/46/924764146.db2.gz MVUCWXRWOYABMO-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001400005688 924764151 /nfs/dbraw/zinc/76/41/51/924764151.db2.gz MVUCWXRWOYABMO-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001400032459 924764642 /nfs/dbraw/zinc/76/46/42/924764642.db2.gz GUDNFHYIWMSUFF-DTWKUNHWSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)C1CC1 ZINC001400032459 924764649 /nfs/dbraw/zinc/76/46/49/924764649.db2.gz GUDNFHYIWMSUFF-DTWKUNHWSA-N 1 1 320.415 -1.622 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1ccc2nnnn2c1)C1CC1 ZINC001400010841 924764791 /nfs/dbraw/zinc/76/47/91/924764791.db2.gz FODZBZNNHPONID-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1ccc2nnnn2c1)C1CC1 ZINC001400010841 924764797 /nfs/dbraw/zinc/76/47/97/924764797.db2.gz FODZBZNNHPONID-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO CCCNC(=O)C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001400018851 924765362 /nfs/dbraw/zinc/76/53/62/924765362.db2.gz GBAQUIOINJDHET-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001400018851 924765368 /nfs/dbraw/zinc/76/53/68/924765368.db2.gz GBAQUIOINJDHET-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001400014790 924766011 /nfs/dbraw/zinc/76/60/11/924766011.db2.gz LACIXBMLTYFUFQ-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001400014790 924766019 /nfs/dbraw/zinc/76/60/19/924766019.db2.gz LACIXBMLTYFUFQ-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)c1=O ZINC001400012338 924766245 /nfs/dbraw/zinc/76/62/45/924766245.db2.gz FJILXTPSNFINRS-LLVKDONJSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)c1=O ZINC001400012338 924766252 /nfs/dbraw/zinc/76/62/52/924766252.db2.gz FJILXTPSNFINRS-LLVKDONJSA-N 1 1 322.369 -1.949 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)CCn2cnnn2)C2CC2)C1=O ZINC001400046317 924766633 /nfs/dbraw/zinc/76/66/33/924766633.db2.gz CMEMANNRHHEWDR-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)CCn2cnnn2)C2CC2)C1=O ZINC001400046317 924766637 /nfs/dbraw/zinc/76/66/37/924766637.db2.gz CMEMANNRHHEWDR-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001400048407 924767225 /nfs/dbraw/zinc/76/72/25/924767225.db2.gz ZTPSTRRLUHJQAG-UHFFFAOYSA-N 1 1 309.330 -1.946 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)Cn1cncn1)C1CC1 ZINC001400048407 924767231 /nfs/dbraw/zinc/76/72/31/924767231.db2.gz ZTPSTRRLUHJQAG-UHFFFAOYSA-N 1 1 309.330 -1.946 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001400043827 924767624 /nfs/dbraw/zinc/76/76/24/924767624.db2.gz ZNYCQSGUNAGOIB-UHFFFAOYSA-N 1 1 323.353 -1.574 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)C1CC1 ZINC001400043827 924767628 /nfs/dbraw/zinc/76/76/28/924767628.db2.gz ZNYCQSGUNAGOIB-UHFFFAOYSA-N 1 1 323.353 -1.574 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(N)=O ZINC001400100072 924771178 /nfs/dbraw/zinc/77/11/78/924771178.db2.gz QGOGKHDQALOOCG-GRYCIOLGSA-N 1 1 323.397 -1.049 20 0 DAADMO NC(=O)C[NH2+][C@@H](CNC(=O)CCn1cnnn1)c1ccccc1 ZINC001400104912 924772621 /nfs/dbraw/zinc/77/26/21/924772621.db2.gz RQAAXLRLUJDUGB-LBPRGKRZSA-N 1 1 317.353 -1.004 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001400162545 924773773 /nfs/dbraw/zinc/77/37/73/924773773.db2.gz OODFOIPESOBDEQ-NEPJUHHUSA-N 1 1 312.374 -1.491 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001400175255 924775236 /nfs/dbraw/zinc/77/52/36/924775236.db2.gz SWSNWSIFOITNBX-SNVBAGLBSA-N 1 1 308.404 -2.139 20 0 DAADMO O=C(NCC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001400176394 924775658 /nfs/dbraw/zinc/77/56/58/924775658.db2.gz PMDRJFAGGNVOCZ-RYUDHWBXSA-N 1 1 321.385 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001400164591 924775740 /nfs/dbraw/zinc/77/57/40/924775740.db2.gz XDHPBYCLAVPLHD-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400192144 924777113 /nfs/dbraw/zinc/77/71/13/924777113.db2.gz DTSVDBKOSPZUNN-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001400202596 924777798 /nfs/dbraw/zinc/77/77/98/924777798.db2.gz DOXBKVGGQOZPHM-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001400220456 924778921 /nfs/dbraw/zinc/77/89/21/924778921.db2.gz PKIDJBJKFMLVAQ-OLZOCXBDSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212690 924779087 /nfs/dbraw/zinc/77/90/87/924779087.db2.gz FTGRXPYMAVLTNM-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001400226578 924779156 /nfs/dbraw/zinc/77/91/56/924779156.db2.gz CAZSLZAYZFVRIW-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001400220460 924779321 /nfs/dbraw/zinc/77/93/21/924779321.db2.gz PLPONCMGHPZUME-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)COC)C1 ZINC001400221122 924779342 /nfs/dbraw/zinc/77/93/42/924779342.db2.gz QANISLRKUUBPAU-NWDGAFQWSA-N 1 1 316.402 -1.297 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001400228515 924780058 /nfs/dbraw/zinc/78/00/58/924780058.db2.gz HHBWQXGRYPCKSK-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400250934 924780653 /nfs/dbraw/zinc/78/06/53/924780653.db2.gz KJNLIMKEOQCNQW-LLVKDONJSA-N 1 1 324.385 -1.460 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400236805 924781634 /nfs/dbraw/zinc/78/16/34/924781634.db2.gz KPORBQAMWJILMM-MNOVXSKESA-N 1 1 324.385 -1.764 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](C)O)C1 ZINC001400245281 924781797 /nfs/dbraw/zinc/78/17/97/924781797.db2.gz GQHFFZUKGWFCBM-MNOVXSKESA-N 1 1 307.416 -1.303 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400252448 924782053 /nfs/dbraw/zinc/78/20/53/924782053.db2.gz JRCZBVYDCYAVQQ-GARJFASQSA-N 1 1 312.370 -1.715 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001400280296 924785672 /nfs/dbraw/zinc/78/56/72/924785672.db2.gz DAFXERZHMBGBTL-GXSJLCMTSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001400280296 924785677 /nfs/dbraw/zinc/78/56/77/924785677.db2.gz DAFXERZHMBGBTL-GXSJLCMTSA-N 1 1 323.353 -1.665 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400294863 924786423 /nfs/dbraw/zinc/78/64/23/924786423.db2.gz AKXBZTQGXQLGTA-DCAQKATOSA-N 1 1 300.359 -1.744 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001400410360 924796627 /nfs/dbraw/zinc/79/66/27/924796627.db2.gz HEBVIXZVSVJZBF-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001400424884 924798446 /nfs/dbraw/zinc/79/84/46/924798446.db2.gz TXYCATHXNYHCJX-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001400450085 924800332 /nfs/dbraw/zinc/80/03/32/924800332.db2.gz LXGKNFMPCGNVQF-UHFFFAOYSA-N 1 1 315.399 -1.459 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001400443841 924800621 /nfs/dbraw/zinc/80/06/21/924800621.db2.gz MAPCJPALJRBQMR-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001400446875 924801049 /nfs/dbraw/zinc/80/10/49/924801049.db2.gz XFEWYPTXULWRCJ-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO O=C(CN1CCOCC1)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001400458404 924801496 /nfs/dbraw/zinc/80/14/96/924801496.db2.gz IPISDFPSJLXACX-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO O=C(CN1CCOCC1)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001400464777 924802440 /nfs/dbraw/zinc/80/24/40/924802440.db2.gz REVFFZDVRKUYIV-UHFFFAOYSA-N 1 1 324.425 -1.107 20 0 DAADMO CCCC[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001400479583 924803203 /nfs/dbraw/zinc/80/32/03/924803203.db2.gz CTECBBMSXYUAOU-LLVKDONJSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001400530372 924808385 /nfs/dbraw/zinc/80/83/85/924808385.db2.gz LADKZWMGGQZWJQ-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO C[N@@H+](CC(=O)NC1(CNC(=O)Cn2cnnn2)CC1)C1CCC1 ZINC001400525650 924808739 /nfs/dbraw/zinc/80/87/39/924808739.db2.gz MQUUIXLIXHNXHG-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001400540971 924810785 /nfs/dbraw/zinc/81/07/85/924810785.db2.gz HFTYBRIOKJJECK-VHSXEESVSA-N 1 1 309.370 -1.473 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n(C)cn1 ZINC001400575244 924813421 /nfs/dbraw/zinc/81/34/21/924813421.db2.gz DTWCPOSNUIHZGV-SDDRHHMPSA-N 1 1 322.365 -1.314 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001400581791 924813790 /nfs/dbraw/zinc/81/37/90/924813790.db2.gz OXCZZMLJWRHMKR-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001400581791 924813795 /nfs/dbraw/zinc/81/37/95/924813795.db2.gz OXCZZMLJWRHMKR-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(C)n1 ZINC001400586623 924816481 /nfs/dbraw/zinc/81/64/81/924816481.db2.gz AWNUZPIFUVTSKK-SDDRHHMPSA-N 1 1 322.365 -1.314 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001400584443 924816520 /nfs/dbraw/zinc/81/65/20/924816520.db2.gz DMJGAYSNGNXLQF-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001400603925 924816564 /nfs/dbraw/zinc/81/65/64/924816564.db2.gz DFPXOAQKBJBGIR-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001400603925 924816571 /nfs/dbraw/zinc/81/65/71/924816571.db2.gz DFPXOAQKBJBGIR-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001400603925 924816582 /nfs/dbraw/zinc/81/65/82/924816582.db2.gz DFPXOAQKBJBGIR-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001400631984 924817459 /nfs/dbraw/zinc/81/74/59/924817459.db2.gz QPTLZQDWAMFGRQ-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001400610656 924817992 /nfs/dbraw/zinc/81/79/92/924817992.db2.gz HIHIGJSVIPHUKQ-ONGXEEELSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001400610656 924817998 /nfs/dbraw/zinc/81/79/98/924817998.db2.gz HIHIGJSVIPHUKQ-ONGXEEELSA-N 1 1 322.369 -1.264 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001400630281 924818016 /nfs/dbraw/zinc/81/80/16/924818016.db2.gz MLLMALASMRBMQG-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001400625437 924818184 /nfs/dbraw/zinc/81/81/84/924818184.db2.gz VONUJANDPYXDIX-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001400625437 924818192 /nfs/dbraw/zinc/81/81/92/924818192.db2.gz VONUJANDPYXDIX-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001400625073 924819083 /nfs/dbraw/zinc/81/90/83/924819083.db2.gz QQXORKMCQOXGMQ-IUCAKERBSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001400625073 924819086 /nfs/dbraw/zinc/81/90/86/924819086.db2.gz QQXORKMCQOXGMQ-IUCAKERBSA-N 1 1 308.342 -1.274 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001400639377 924819632 /nfs/dbraw/zinc/81/96/32/924819632.db2.gz MJKOFYVRCYFMDA-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001400639377 924819640 /nfs/dbraw/zinc/81/96/40/924819640.db2.gz MJKOFYVRCYFMDA-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001400647408 924819864 /nfs/dbraw/zinc/81/98/64/924819864.db2.gz BZADLYQUUOIJMP-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001400647408 924819871 /nfs/dbraw/zinc/81/98/71/924819871.db2.gz BZADLYQUUOIJMP-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400650596 924821074 /nfs/dbraw/zinc/82/10/74/924821074.db2.gz BYYYCLHHAXBKSE-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400650596 924821076 /nfs/dbraw/zinc/82/10/76/924821076.db2.gz BYYYCLHHAXBKSE-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001400662361 924821585 /nfs/dbraw/zinc/82/15/85/924821585.db2.gz PTQPGGYCPYNJTQ-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001400662361 924821593 /nfs/dbraw/zinc/82/15/93/924821593.db2.gz PTQPGGYCPYNJTQ-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001400668811 924822402 /nfs/dbraw/zinc/82/24/02/924822402.db2.gz BQMHXQHUGVJRKW-MXWKQRLJSA-N 1 1 312.370 -1.064 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653862 924822474 /nfs/dbraw/zinc/82/24/74/924822474.db2.gz NJGYEDYXKDJHDA-RKDXNWHRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653862 924822479 /nfs/dbraw/zinc/82/24/79/924822479.db2.gz NJGYEDYXKDJHDA-RKDXNWHRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001400671307 924824117 /nfs/dbraw/zinc/82/41/17/924824117.db2.gz RMTDFILIZLSWIA-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001400675935 924824336 /nfs/dbraw/zinc/82/43/36/924824336.db2.gz LGSHFZBVLZFXAP-WDEREUQCSA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001400675935 924824342 /nfs/dbraw/zinc/82/43/42/924824342.db2.gz LGSHFZBVLZFXAP-WDEREUQCSA-N 1 1 307.354 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001400675109 924825423 /nfs/dbraw/zinc/82/54/23/924825423.db2.gz IUKPSHMTMNZWKS-MNOVXSKESA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721422 924825985 /nfs/dbraw/zinc/82/59/85/924825985.db2.gz MOYDMSMDNMUKAQ-RNWYCLNJSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721422 924825994 /nfs/dbraw/zinc/82/59/94/924825994.db2.gz MOYDMSMDNMUKAQ-RNWYCLNJSA-N 1 1 324.381 -1.005 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001400722757 924826536 /nfs/dbraw/zinc/82/65/36/924826536.db2.gz XZPPCUSRJHVWPG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001400709093 924826654 /nfs/dbraw/zinc/82/66/54/924826654.db2.gz KPFIESIYJVXACI-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001400709093 924826661 /nfs/dbraw/zinc/82/66/61/924826661.db2.gz KPFIESIYJVXACI-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001400730622 924827673 /nfs/dbraw/zinc/82/76/73/924827673.db2.gz GEHXDXZQVUXVPL-QWRGUYRKSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001400729390 924828232 /nfs/dbraw/zinc/82/82/32/924828232.db2.gz BNTJMPKICRHZGY-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001400729390 924828241 /nfs/dbraw/zinc/82/82/41/924828241.db2.gz BNTJMPKICRHZGY-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)CN1CCC(=O)NC1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001400765390 924830620 /nfs/dbraw/zinc/83/06/20/924830620.db2.gz LPIXCUGSPCBMDE-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400765074 924830655 /nfs/dbraw/zinc/83/06/55/924830655.db2.gz LHHCORHJMHNBRD-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400765074 924830662 /nfs/dbraw/zinc/83/06/62/924830662.db2.gz LHHCORHJMHNBRD-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C(=O)CN1CCC(=O)NC1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001400765409 924830978 /nfs/dbraw/zinc/83/09/78/924830978.db2.gz LPIXCUGSPCBMDE-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400782150 924832852 /nfs/dbraw/zinc/83/28/52/924832852.db2.gz ZFGVGODUVNTCFF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400782150 924832862 /nfs/dbraw/zinc/83/28/62/924832862.db2.gz ZFGVGODUVNTCFF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001400862643 924833918 /nfs/dbraw/zinc/83/39/18/924833918.db2.gz IBHMEOCVVYVJNJ-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001400862643 924833928 /nfs/dbraw/zinc/83/39/28/924833928.db2.gz IBHMEOCVVYVJNJ-VIFPVBQESA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001400912320 924835656 /nfs/dbraw/zinc/83/56/56/924835656.db2.gz DCQKTIHROIKRIW-WCBMZHEXSA-N 1 1 317.371 -1.254 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001401070884 924840332 /nfs/dbraw/zinc/84/03/32/924840332.db2.gz QPRKNKXXSXSKHZ-CQSZACIVSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O)c1nnnn1C ZINC001401095776 924842302 /nfs/dbraw/zinc/84/23/02/924842302.db2.gz FCUSBHWFLSSGGY-NXEZZACHSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1nnn(C)n1 ZINC001401115392 924843108 /nfs/dbraw/zinc/84/31/08/924843108.db2.gz JFIPAHPBBXVCTM-VIFPVBQESA-N 1 1 320.357 -1.541 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C ZINC001401123082 924844148 /nfs/dbraw/zinc/84/41/48/924844148.db2.gz IYOCKWOHJHLXGG-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001401141877 924844368 /nfs/dbraw/zinc/84/43/68/924844368.db2.gz WGVRTRXHTMRFMJ-LLVKDONJSA-N 1 1 324.385 -1.452 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001401147196 924844401 /nfs/dbraw/zinc/84/44/01/924844401.db2.gz VEYDOLIHMVVKCC-SECBINFHSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001401147196 924844412 /nfs/dbraw/zinc/84/44/12/924844412.db2.gz VEYDOLIHMVVKCC-SECBINFHSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001401147197 924844622 /nfs/dbraw/zinc/84/46/22/924844622.db2.gz VEYDOLIHMVVKCC-VIFPVBQESA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001401147197 924844630 /nfs/dbraw/zinc/84/46/30/924844630.db2.gz VEYDOLIHMVVKCC-VIFPVBQESA-N 1 1 323.357 -2.281 20 0 DAADMO COC[C@H](O)CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001401165738 924846994 /nfs/dbraw/zinc/84/69/94/924846994.db2.gz POMSNACSRAJPKV-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001401236904 924851324 /nfs/dbraw/zinc/85/13/24/924851324.db2.gz HDELXAQFNGMJFA-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001401230490 924851882 /nfs/dbraw/zinc/85/18/82/924851882.db2.gz VLRQFMSAJZZHSO-SECBINFHSA-N 1 1 324.389 -1.127 20 0 DAADMO CC(C)[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001401342620 924855676 /nfs/dbraw/zinc/85/56/76/924855676.db2.gz WCZDCLAXPQWMFW-LBPRGKRZSA-N 1 1 324.385 -1.268 20 0 DAADMO CN(CC[N@@H+](C)CCn1cccn1)C(=O)Cn1ncn(C)c1=O ZINC001401371033 924857252 /nfs/dbraw/zinc/85/72/52/924857252.db2.gz NANUOACTYKXJPH-UHFFFAOYSA-N 1 1 321.385 -1.131 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401386885 924857687 /nfs/dbraw/zinc/85/76/87/924857687.db2.gz YEAQLTMLVCFBEJ-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401386885 924857696 /nfs/dbraw/zinc/85/76/96/924857696.db2.gz YEAQLTMLVCFBEJ-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001401375526 924857747 /nfs/dbraw/zinc/85/77/47/924857747.db2.gz LAVOLSJKLOMFBV-UHFFFAOYSA-N 1 1 311.346 -1.346 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001401375526 924857754 /nfs/dbraw/zinc/85/77/54/924857754.db2.gz LAVOLSJKLOMFBV-UHFFFAOYSA-N 1 1 311.346 -1.346 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001401388252 924858577 /nfs/dbraw/zinc/85/85/77/924858577.db2.gz LKXHVNKFUXQECK-NSHDSACASA-N 1 1 309.374 -1.308 20 0 DAADMO COCC[N@@H+](C)CCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001401369422 924858956 /nfs/dbraw/zinc/85/89/56/924858956.db2.gz GNBOIDHHPKCXSU-UHFFFAOYSA-N 1 1 312.370 -1.416 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001401480799 924860424 /nfs/dbraw/zinc/86/04/24/924860424.db2.gz ALQWXCXBLKZFTE-JTQLQIEISA-N 1 1 311.342 -1.247 20 0 DAADMO CN(CC[N@H+](C)CCCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC001401437386 924860838 /nfs/dbraw/zinc/86/08/38/924860838.db2.gz KXNQSRPKQXDHRN-UHFFFAOYSA-N 1 1 321.443 -1.511 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC001401437386 924860844 /nfs/dbraw/zinc/86/08/44/924860844.db2.gz KXNQSRPKQXDHRN-UHFFFAOYSA-N 1 1 321.443 -1.511 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ccon1 ZINC001401486432 924861946 /nfs/dbraw/zinc/86/19/46/924861946.db2.gz GSOOAJAFWNWSHJ-VIFPVBQESA-N 1 1 322.325 -1.323 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C(C)C)nn1 ZINC001401489036 924862043 /nfs/dbraw/zinc/86/20/43/924862043.db2.gz RROCXQUBUGNASN-LBPRGKRZSA-N 1 1 312.374 -1.438 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001401489362 924863374 /nfs/dbraw/zinc/86/33/74/924863374.db2.gz AZYYOZKDGSRMHS-JTQLQIEISA-N 1 1 319.369 -1.019 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccnn2C)nn1 ZINC001401489934 924863998 /nfs/dbraw/zinc/86/39/98/924863998.db2.gz GGWZIGMDGVUQCN-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CC2OCCCO2)nn1 ZINC001401491588 924864976 /nfs/dbraw/zinc/86/49/76/924864976.db2.gz NWJZKEFRIBPLMP-LLVKDONJSA-N 1 1 313.358 -1.465 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)CC[C@H]21 ZINC001401493245 924864992 /nfs/dbraw/zinc/86/49/92/924864992.db2.gz NZGDCOHTVRCBFT-GHMZBOCLSA-N 1 1 304.416 -1.017 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1)c1nncn1C ZINC001401491438 924865158 /nfs/dbraw/zinc/86/51/58/924865158.db2.gz NKEUCEYYAGQRBC-WDEREUQCSA-N 1 1 322.373 -1.375 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001401490466 924865488 /nfs/dbraw/zinc/86/54/88/924865488.db2.gz LYUYPFKZGBZYED-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nscc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001401494138 924866644 /nfs/dbraw/zinc/86/66/44/924866644.db2.gz INNHTKYTAQYESQ-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001401495665 924867136 /nfs/dbraw/zinc/86/71/36/924867136.db2.gz QRUKNXBYWGQWHB-MRVPVSSYSA-N 1 1 305.360 -2.276 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1cncn1)c1nncn1C ZINC001401496767 924867569 /nfs/dbraw/zinc/86/75/69/924867569.db2.gz CHNJIEUHPUWLFJ-QWRGUYRKSA-N 1 1 322.373 -1.375 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)c1ncccc1O ZINC001401495164 924867585 /nfs/dbraw/zinc/86/75/85/924867585.db2.gz JJMBJTFYLOOJDT-UWVGGRQHSA-N 1 1 308.338 -1.254 20 0 DAADMO CCOCC(=O)NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001401495645 924867834 /nfs/dbraw/zinc/86/78/34/924867834.db2.gz SOPGHQYDIAPQKK-SNVBAGLBSA-N 1 1 313.358 -1.589 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)on1 ZINC001401501936 924869231 /nfs/dbraw/zinc/86/92/31/924869231.db2.gz PWXBFWSWHDQZDP-MRVPVSSYSA-N 1 1 310.314 -1.010 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001401502007 924870014 /nfs/dbraw/zinc/87/00/14/924870014.db2.gz XKOHVQZSNJZGNH-GHMZBOCLSA-N 1 1 312.374 -1.314 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001401503317 924871747 /nfs/dbraw/zinc/87/17/47/924871747.db2.gz IAUGGMMVXRDPSF-VIFPVBQESA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nnn1C ZINC001401505434 924871886 /nfs/dbraw/zinc/87/18/86/924871886.db2.gz JVNHXYNCMKKJMM-SNVBAGLBSA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)n1 ZINC001401503287 924872156 /nfs/dbraw/zinc/87/21/56/924872156.db2.gz HOWQDRZBKZONMW-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401513260 924872623 /nfs/dbraw/zinc/87/26/23/924872623.db2.gz SMADUFMJLDWSQW-LBPRGKRZSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401513239 924873781 /nfs/dbraw/zinc/87/37/81/924873781.db2.gz SMADUFMJLDWSQW-GFCCVEGCSA-N 1 1 307.358 -1.088 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001401513597 924873796 /nfs/dbraw/zinc/87/37/96/924873796.db2.gz ZJWVARMEKGGMRB-UWVGGRQHSA-N 1 1 318.399 -2.056 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)C1CS(=O)(=O)C1 ZINC001401508616 924873876 /nfs/dbraw/zinc/87/38/76/924873876.db2.gz MIFHBKNWYFNPSJ-SNVBAGLBSA-N 1 1 303.340 -1.714 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001401525944 924874721 /nfs/dbraw/zinc/87/47/21/924874721.db2.gz XYFONOBBLWGWAH-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001401514990 924874845 /nfs/dbraw/zinc/87/48/45/924874845.db2.gz VGVSNXNIHSAWSA-LLVKDONJSA-N 1 1 324.385 -1.329 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001401525886 924875793 /nfs/dbraw/zinc/87/57/93/924875793.db2.gz XYFONOBBLWGWAH-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001401525935 924875920 /nfs/dbraw/zinc/87/59/20/924875920.db2.gz XYFONOBBLWGWAH-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)n1 ZINC001401518860 924875948 /nfs/dbraw/zinc/87/59/48/924875948.db2.gz YGMJGUICVNXICG-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001401543082 924878961 /nfs/dbraw/zinc/87/89/61/924878961.db2.gz OWUWKVSJPDXJBB-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)[nH]c1=O ZINC001401540320 924879149 /nfs/dbraw/zinc/87/91/49/924879149.db2.gz DZUUBXOTCBEBQS-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001401543597 924879279 /nfs/dbraw/zinc/87/92/79/924879279.db2.gz QOMYCKVBBGQZHW-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001401541203 924879686 /nfs/dbraw/zinc/87/96/86/924879686.db2.gz GDHRCNSYYOZPIW-PELKAZGASA-N 1 1 311.346 -2.555 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncn(C)c2=O)no1 ZINC001401544149 924880075 /nfs/dbraw/zinc/88/00/75/924880075.db2.gz QTCNQLLTHVYPSO-LLVKDONJSA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)ccc2=O)[nH]1 ZINC001401539656 924880637 /nfs/dbraw/zinc/88/06/37/924880637.db2.gz ABPXPGLUJQSPRA-JTQLQIEISA-N 1 1 320.353 -1.308 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001401541176 924880801 /nfs/dbraw/zinc/88/08/01/924880801.db2.gz NXOLKQCTNXWTQM-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CN(C)Cc1ccsc1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001401546840 924881301 /nfs/dbraw/zinc/88/13/01/924881301.db2.gz UVWJLJWVSYZIRO-SNVBAGLBSA-N 1 1 314.411 -1.025 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CC1=O ZINC001401546804 924881719 /nfs/dbraw/zinc/88/17/19/924881719.db2.gz UPQTXLIROSHQLC-DTWKUNHWSA-N 1 1 311.346 -2.745 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CC1=O ZINC001401546807 924882972 /nfs/dbraw/zinc/88/29/72/924882972.db2.gz UPQTXLIROSHQLC-IUCAKERBSA-N 1 1 311.346 -2.745 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001401545620 924883123 /nfs/dbraw/zinc/88/31/23/924883123.db2.gz SFCQNSAZXUSARC-NSHDSACASA-N 1 1 321.385 -1.090 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1)S(C)(=O)=O ZINC001401549197 924883779 /nfs/dbraw/zinc/88/37/79/924883779.db2.gz XPNNZTZYGIMPGC-SFYZADRCSA-N 1 1 322.412 -1.462 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001401548842 924884150 /nfs/dbraw/zinc/88/41/50/924884150.db2.gz WNQSLYZXZPHYKN-SECBINFHSA-N 1 1 308.298 -1.956 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)nn1 ZINC001401548315 924884950 /nfs/dbraw/zinc/88/49/50/924884950.db2.gz XPWDXZZECNXVTM-SMDDNHRTSA-N 1 1 324.385 -1.702 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001401552014 924885584 /nfs/dbraw/zinc/88/55/84/924885584.db2.gz WBUHCTFENURIHQ-BDAKNGLRSA-N 1 1 302.331 -2.187 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401553874 924885732 /nfs/dbraw/zinc/88/57/32/924885732.db2.gz JDWQEQZUFOIXAN-YUMQZZPRSA-N 1 1 301.372 -1.384 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001401553976 924886116 /nfs/dbraw/zinc/88/61/16/924886116.db2.gz NEHMTRDQVSEOPW-VIFPVBQESA-N 1 1 321.341 -1.500 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401553867 924886796 /nfs/dbraw/zinc/88/67/96/924886796.db2.gz JDWQEQZUFOIXAN-HTQZYQBOSA-N 1 1 301.372 -1.384 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC001401556563 924887429 /nfs/dbraw/zinc/88/74/29/924887429.db2.gz CLKCFMRVFHUACK-SECBINFHSA-N 1 1 320.357 -1.309 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001401556412 924888691 /nfs/dbraw/zinc/88/86/91/924888691.db2.gz OTSOOVPIQLTITE-SECBINFHSA-N 1 1 313.358 -1.669 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)[C@@H]1CCNC(=O)CC1 ZINC001401555580 924888872 /nfs/dbraw/zinc/88/88/72/924888872.db2.gz YAKWEVMOSMNSHA-RYUDHWBXSA-N 1 1 321.381 -1.040 20 0 DAADMO CN1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)=NC1=O ZINC001401556478 924889317 /nfs/dbraw/zinc/88/93/17/924889317.db2.gz OTTGZCFNADXZQQ-VIFPVBQESA-N 1 1 309.330 -1.865 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401560955 924890065 /nfs/dbraw/zinc/89/00/65/924890065.db2.gz UXSZRIXBLIMSIQ-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401560938 924890123 /nfs/dbraw/zinc/89/01/23/924890123.db2.gz UXSZRIXBLIMSIQ-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO COc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)cn1 ZINC001401559157 924891306 /nfs/dbraw/zinc/89/13/06/924891306.db2.gz DUVZPYWJSWYFEW-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001401569271 924894265 /nfs/dbraw/zinc/89/42/65/924894265.db2.gz BWHDEOQYEONYED-SECBINFHSA-N 1 1 313.362 -2.309 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)oc1C ZINC001401566927 924894374 /nfs/dbraw/zinc/89/43/74/924894374.db2.gz XXZQWTFXSDPQSF-NXEZZACHSA-N 1 1 311.342 -1.460 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001401566087 924895231 /nfs/dbraw/zinc/89/52/31/924895231.db2.gz AJGHBNAZFXOEIL-UWVGGRQHSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001401566087 924895238 /nfs/dbraw/zinc/89/52/38/924895238.db2.gz AJGHBNAZFXOEIL-UWVGGRQHSA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001401565283 924895282 /nfs/dbraw/zinc/89/52/82/924895282.db2.gz LUTZNJUGMOTIMX-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001401566690 924895373 /nfs/dbraw/zinc/89/53/73/924895373.db2.gz ONURQLLFSKHZOU-JTQLQIEISA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001401567891 924895429 /nfs/dbraw/zinc/89/54/29/924895429.db2.gz YTXLTUVPOQKGAW-LBPRGKRZSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnccn1 ZINC001401571077 924896727 /nfs/dbraw/zinc/89/67/27/924896727.db2.gz RGGKAFHZRQWDJI-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001401577752 924898693 /nfs/dbraw/zinc/89/86/93/924898693.db2.gz KHDSBTCASSZLSE-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001401577752 924898702 /nfs/dbraw/zinc/89/87/02/924898702.db2.gz KHDSBTCASSZLSE-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001401581271 924901645 /nfs/dbraw/zinc/90/16/45/924901645.db2.gz ZGUVTKIGYURGQK-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001401580326 924901871 /nfs/dbraw/zinc/90/18/71/924901871.db2.gz KACHQPOZJUKNLG-MNOVXSKESA-N 1 1 324.385 -1.548 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001401581276 924902033 /nfs/dbraw/zinc/90/20/33/924902033.db2.gz ZGUVTKIGYURGQK-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO Cn1ncc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001401588933 924902866 /nfs/dbraw/zinc/90/28/66/924902866.db2.gz TVMYMGMYINFXSU-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cnc(N(C)C)cn1 ZINC001401618192 924904931 /nfs/dbraw/zinc/90/49/31/924904931.db2.gz JHOULVHEVRHWQW-SECBINFHSA-N 1 1 319.373 -1.026 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001401617136 924905259 /nfs/dbraw/zinc/90/52/59/924905259.db2.gz HEKNDCUWDQFBMX-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cn(C)nn1 ZINC001401621430 924905653 /nfs/dbraw/zinc/90/56/53/924905653.db2.gz FIBKSEBXZRRUSA-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001401624035 924907486 /nfs/dbraw/zinc/90/74/86/924907486.db2.gz CQBLEFZMOJCNKW-RKDXNWHRSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCS(C)(=O)=O ZINC001401630833 924907731 /nfs/dbraw/zinc/90/77/31/924907731.db2.gz DZBHEKHGBIEHRX-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001401624034 924908271 /nfs/dbraw/zinc/90/82/71/924908271.db2.gz CQBLEFZMOJCNKW-BDAKNGLRSA-N 1 1 319.387 -1.008 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401624130 924908508 /nfs/dbraw/zinc/90/85/08/924908508.db2.gz HKRITRJXNMPZIG-UWVGGRQHSA-N 1 1 320.357 -1.807 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001401643400 924909365 /nfs/dbraw/zinc/90/93/65/924909365.db2.gz FOBJSICTZMFUAO-APPZFPTMSA-N 1 1 319.387 -1.090 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CCn1ncn(C)c1=O ZINC001401640900 924909868 /nfs/dbraw/zinc/90/98/68/924909868.db2.gz LVZMESAFFRBYEW-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO COc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)nn1 ZINC001401655036 924910391 /nfs/dbraw/zinc/91/03/91/924910391.db2.gz UYYPLDJONMZBLN-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001401690851 924913811 /nfs/dbraw/zinc/91/38/11/924913811.db2.gz RTNRLSGCUDMDQW-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001401695822 924914364 /nfs/dbraw/zinc/91/43/64/924914364.db2.gz VNHHNQIKLKDZIG-ZANVPECISA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)NC(=O)Cc1nnc[nH]1 ZINC001401721462 924916640 /nfs/dbraw/zinc/91/66/40/924916640.db2.gz UFYQLIDXBLLMKZ-WDEREUQCSA-N 1 1 307.358 -1.301 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[NH2+]Cc2nncn2C)c(=O)n1C ZINC001401713944 924917229 /nfs/dbraw/zinc/91/72/29/924917229.db2.gz ZXAQDUUDVDJWIB-VIFPVBQESA-N 1 1 322.373 -1.687 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401735842 924918165 /nfs/dbraw/zinc/91/81/65/924918165.db2.gz RVKCXRIZQPLPFB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401735842 924918174 /nfs/dbraw/zinc/91/81/74/924918174.db2.gz RVKCXRIZQPLPFB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001401747462 924918223 /nfs/dbraw/zinc/91/82/23/924918223.db2.gz IAUVIDUGFHAAKU-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756291 924918449 /nfs/dbraw/zinc/91/84/49/924918449.db2.gz DCMHSPGUEYJASR-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401756291 924918452 /nfs/dbraw/zinc/91/84/52/924918452.db2.gz DCMHSPGUEYJASR-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401726403 924918619 /nfs/dbraw/zinc/91/86/19/924918619.db2.gz ACLROUFBVNEYCS-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401726403 924918625 /nfs/dbraw/zinc/91/86/25/924918625.db2.gz ACLROUFBVNEYCS-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401726404 924918869 /nfs/dbraw/zinc/91/88/69/924918869.db2.gz ACLROUFBVNEYCS-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401726404 924918872 /nfs/dbraw/zinc/91/88/72/924918872.db2.gz ACLROUFBVNEYCS-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401726402 924919613 /nfs/dbraw/zinc/91/96/13/924919613.db2.gz ACLROUFBVNEYCS-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401726402 924919622 /nfs/dbraw/zinc/91/96/22/924919622.db2.gz ACLROUFBVNEYCS-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001401737638 924919926 /nfs/dbraw/zinc/91/99/26/924919926.db2.gz VZUBMQGJLQQUBP-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001401737638 924919933 /nfs/dbraw/zinc/91/99/33/924919933.db2.gz VZUBMQGJLQQUBP-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001401726791 924919950 /nfs/dbraw/zinc/91/99/50/924919950.db2.gz IEYUCDXSOKHDDB-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001401726791 924919957 /nfs/dbraw/zinc/91/99/57/924919957.db2.gz IEYUCDXSOKHDDB-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744167 924920053 /nfs/dbraw/zinc/92/00/53/924920053.db2.gz ZRCBKRQGGVDKRJ-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744167 924920060 /nfs/dbraw/zinc/92/00/60/924920060.db2.gz ZRCBKRQGGVDKRJ-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001401797325 924920872 /nfs/dbraw/zinc/92/08/72/924920872.db2.gz MROMLGOHPJQLSZ-JGVFFNPUSA-N 1 1 312.330 -1.036 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001401797325 924920880 /nfs/dbraw/zinc/92/08/80/924920880.db2.gz MROMLGOHPJQLSZ-JGVFFNPUSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401777049 924920928 /nfs/dbraw/zinc/92/09/28/924920928.db2.gz KEAWDSXAMFGNQF-BBBLOLIVSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401777049 924920934 /nfs/dbraw/zinc/92/09/34/924920934.db2.gz KEAWDSXAMFGNQF-BBBLOLIVSA-N 1 1 320.415 -1.907 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401786679 924921279 /nfs/dbraw/zinc/92/12/79/924921279.db2.gz XNXNOAUOEXTMTR-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401786679 924921290 /nfs/dbraw/zinc/92/12/90/924921290.db2.gz XNXNOAUOEXTMTR-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001401768641 924921356 /nfs/dbraw/zinc/92/13/56/924921356.db2.gz VXNSOXUAVTTWJK-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001401783209 924921807 /nfs/dbraw/zinc/92/18/07/924921807.db2.gz SXGSDEGETRQTEC-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001401783209 924921811 /nfs/dbraw/zinc/92/18/11/924921811.db2.gz SXGSDEGETRQTEC-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001401786657 924922030 /nfs/dbraw/zinc/92/20/30/924922030.db2.gz SBVSDHOOLJIYPM-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001401786657 924922033 /nfs/dbraw/zinc/92/20/33/924922033.db2.gz SBVSDHOOLJIYPM-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001401768639 924922040 /nfs/dbraw/zinc/92/20/40/924922040.db2.gz VXNSOXUAVTTWJK-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001401769359 924922048 /nfs/dbraw/zinc/92/20/48/924922048.db2.gz XLSCKTRYWQOENG-MNOVXSKESA-N 1 1 315.374 -1.974 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H](C)n1cncn1 ZINC001401770530 924922060 /nfs/dbraw/zinc/92/20/60/924922060.db2.gz QEHXXBATUNCZLJ-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H](C)n1cncn1 ZINC001401770530 924922064 /nfs/dbraw/zinc/92/20/64/924922064.db2.gz QEHXXBATUNCZLJ-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401815290 924923336 /nfs/dbraw/zinc/92/33/36/924923336.db2.gz ZTEQFNXUSMPOIM-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401815290 924923345 /nfs/dbraw/zinc/92/33/45/924923345.db2.gz ZTEQFNXUSMPOIM-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCn1cnccc1=O ZINC001401814080 924923419 /nfs/dbraw/zinc/92/34/19/924923419.db2.gz ZBLZGRRVAWZQNP-NSHDSACASA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cnccc1=O ZINC001401814080 924923428 /nfs/dbraw/zinc/92/34/28/924923428.db2.gz ZBLZGRRVAWZQNP-NSHDSACASA-N 1 1 309.370 -1.184 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812924 924923639 /nfs/dbraw/zinc/92/36/39/924923639.db2.gz BHHHQWNDVUZMPH-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812924 924923644 /nfs/dbraw/zinc/92/36/44/924923644.db2.gz BHHHQWNDVUZMPH-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](C[N@H+](C)CCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001401810846 924923656 /nfs/dbraw/zinc/92/36/56/924923656.db2.gz VAHNBNZAIKIZAK-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001401810846 924923664 /nfs/dbraw/zinc/92/36/64/924923664.db2.gz VAHNBNZAIKIZAK-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812920 924923698 /nfs/dbraw/zinc/92/36/98/924923698.db2.gz BHHHQWNDVUZMPH-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001401812920 924923704 /nfs/dbraw/zinc/92/37/04/924923704.db2.gz BHHHQWNDVUZMPH-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001401853889 924924186 /nfs/dbraw/zinc/92/41/86/924924186.db2.gz YPUJPKDKKDXIRQ-VIFPVBQESA-N 1 1 318.341 -1.408 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001401846179 924924478 /nfs/dbraw/zinc/92/44/78/924924478.db2.gz DJHPWVXKLBBZGH-WDEREUQCSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401854378 924924704 /nfs/dbraw/zinc/92/47/04/924924704.db2.gz ZMJJZDUTOIRNTM-UWVGGRQHSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001401846520 924924962 /nfs/dbraw/zinc/92/49/62/924924962.db2.gz GUNMXGSEDQBHLL-MNOVXSKESA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(CNC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001401840145 924925226 /nfs/dbraw/zinc/92/52/26/924925226.db2.gz TYGPSSCYNRMDDZ-NWDGAFQWSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001401840145 924925234 /nfs/dbraw/zinc/92/52/34/924925234.db2.gz TYGPSSCYNRMDDZ-NWDGAFQWSA-N 1 1 323.401 -1.475 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001401885850 924926825 /nfs/dbraw/zinc/92/68/25/924926825.db2.gz DBTDUYGPSNZYHR-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001401882378 924927555 /nfs/dbraw/zinc/92/75/55/924927555.db2.gz XSLHLORWOYFOKR-VHSXEESVSA-N 1 1 307.358 -1.527 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001401889094 924928673 /nfs/dbraw/zinc/92/86/73/924928673.db2.gz LEQXVDNNLSRBEX-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001401906720 924931073 /nfs/dbraw/zinc/93/10/73/924931073.db2.gz GKQFJAXIPBOUKI-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001401906720 924931079 /nfs/dbraw/zinc/93/10/79/924931079.db2.gz GKQFJAXIPBOUKI-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001401907365 924931249 /nfs/dbraw/zinc/93/12/49/924931249.db2.gz UOCKRXCMJSFCNM-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001401899035 924931773 /nfs/dbraw/zinc/93/17/73/924931773.db2.gz VRVLMIFZXMIIAA-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001401899035 924931780 /nfs/dbraw/zinc/93/17/80/924931780.db2.gz VRVLMIFZXMIIAA-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1)NC(N)=O ZINC001401897383 924932320 /nfs/dbraw/zinc/93/23/20/924932320.db2.gz XANQIWOREZFLSG-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1)NC(N)=O ZINC001401897383 924932327 /nfs/dbraw/zinc/93/23/27/924932327.db2.gz XANQIWOREZFLSG-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001401927667 924932914 /nfs/dbraw/zinc/93/29/14/924932914.db2.gz QEBDFMMYWAVIEF-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001401927667 924932922 /nfs/dbraw/zinc/93/29/22/924932922.db2.gz QEBDFMMYWAVIEF-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001401917233 924933922 /nfs/dbraw/zinc/93/39/22/924933922.db2.gz FTOPWBZVQDYXNI-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001401917233 924933924 /nfs/dbraw/zinc/93/39/24/924933924.db2.gz FTOPWBZVQDYXNI-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1[C@H](C)C(=O)NC(N)=O ZINC001401926434 924934487 /nfs/dbraw/zinc/93/44/87/924934487.db2.gz VZQIHUSQSGXUBD-MWLCHTKSSA-N 1 1 322.369 -1.035 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)Cn3cccn3)CC2)nc1=O ZINC001401938465 924935722 /nfs/dbraw/zinc/93/57/22/924935722.db2.gz JIVNNWQFXMHXRS-UHFFFAOYSA-N 1 1 305.342 -1.257 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)CN3CCCNC3=O)CC2)nn1 ZINC001401948895 924936233 /nfs/dbraw/zinc/93/62/33/924936233.db2.gz GGKXDIMARVWZKU-UHFFFAOYSA-N 1 1 321.385 -1.031 20 0 DAADMO CCNC(=O)CCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001401939308 924936528 /nfs/dbraw/zinc/93/65/28/924936528.db2.gz QEQFKSMJAQATDR-UHFFFAOYSA-N 1 1 324.385 -1.237 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001401997547 924939362 /nfs/dbraw/zinc/93/93/62/924939362.db2.gz AAICLXPBGMOCSG-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO CCCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402008810 924940405 /nfs/dbraw/zinc/94/04/05/924940405.db2.gz HITCJGYCYRWHCT-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCCNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402008810 924940407 /nfs/dbraw/zinc/94/04/07/924940407.db2.gz HITCJGYCYRWHCT-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[NH+]1CCC(N(C)C(=O)Cn2ncnn2)CC1 ZINC001402040479 924941220 /nfs/dbraw/zinc/94/12/20/924941220.db2.gz QWZHMWVWDRPNCI-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001402055124 924942399 /nfs/dbraw/zinc/94/23/99/924942399.db2.gz PKMZCPIBPUPTEF-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO CN(C(=O)COCc1nncn1C)C1CC[NH+](CC(N)=O)CC1 ZINC001402063437 924942793 /nfs/dbraw/zinc/94/27/93/924942793.db2.gz YKRYCKJSZFGVCQ-UHFFFAOYSA-N 1 1 324.385 -1.260 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079717 924943285 /nfs/dbraw/zinc/94/32/85/924943285.db2.gz KWZYIXMTVCYPRW-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079717 924943289 /nfs/dbraw/zinc/94/32/89/924943289.db2.gz KWZYIXMTVCYPRW-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001402053528 924943791 /nfs/dbraw/zinc/94/37/91/924943791.db2.gz WFORTARNYJGSMU-UHFFFAOYSA-N 1 1 321.403 -2.552 20 0 DAADMO CCC(=O)N1CCN([C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001402107460 924944955 /nfs/dbraw/zinc/94/49/55/924944955.db2.gz KQSRCXQWAYIWMG-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CCC(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001402107460 924944962 /nfs/dbraw/zinc/94/49/62/924944962.db2.gz KQSRCXQWAYIWMG-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402137649 924946480 /nfs/dbraw/zinc/94/64/80/924946480.db2.gz YKLZHWCDBMMSNV-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001402118812 924946962 /nfs/dbraw/zinc/94/69/62/924946962.db2.gz FVQWYCIYTAXDQD-AWEZNQCLSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@]1(NC(=O)Cc2cc[nH]n2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402120300 924947422 /nfs/dbraw/zinc/94/74/22/924947422.db2.gz BSADZWXEYRBFID-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@]1(NC(=O)Cc2cc[nH]n2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402120300 924947426 /nfs/dbraw/zinc/94/74/26/924947426.db2.gz BSADZWXEYRBFID-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402136978 924947466 /nfs/dbraw/zinc/94/74/66/924947466.db2.gz QLOJCRNXFDCROL-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001402136978 924947470 /nfs/dbraw/zinc/94/74/70/924947470.db2.gz QLOJCRNXFDCROL-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCNC(=O)COC)C1 ZINC001402132628 924947637 /nfs/dbraw/zinc/94/76/37/924947637.db2.gz SVBCOWDGLVERPJ-AWEZNQCLSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCNC(=O)COC)C1 ZINC001402132628 924947639 /nfs/dbraw/zinc/94/76/39/924947639.db2.gz SVBCOWDGLVERPJ-AWEZNQCLSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138684 924948571 /nfs/dbraw/zinc/94/85/71/924948571.db2.gz ZRPRPZWEFBCPBO-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138684 924948575 /nfs/dbraw/zinc/94/85/75/924948575.db2.gz ZRPRPZWEFBCPBO-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402138505 924948827 /nfs/dbraw/zinc/94/88/27/924948827.db2.gz OHRXFCUWALMZAV-CYBMUJFWSA-N 1 1 322.373 -1.721 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138194 924949287 /nfs/dbraw/zinc/94/92/87/924949287.db2.gz PGTGDRWOCXNPDV-SKDRFNHKSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138194 924949291 /nfs/dbraw/zinc/94/92/91/924949291.db2.gz PGTGDRWOCXNPDV-SKDRFNHKSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402140473 924949425 /nfs/dbraw/zinc/94/94/25/924949425.db2.gz POYTWTUIAGOXCY-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402140473 924949431 /nfs/dbraw/zinc/94/94/31/924949431.db2.gz POYTWTUIAGOXCY-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402168603 924949714 /nfs/dbraw/zinc/94/97/14/924949714.db2.gz DMWZUVWGPIXQHC-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402168603 924949725 /nfs/dbraw/zinc/94/97/25/924949725.db2.gz DMWZUVWGPIXQHC-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001402171118 924950977 /nfs/dbraw/zinc/95/09/77/924950977.db2.gz ZDJOJKIUNGSSDY-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253391 924952875 /nfs/dbraw/zinc/95/28/75/924952875.db2.gz XFDOVTZGGHGFDX-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253391 924952887 /nfs/dbraw/zinc/95/28/87/924952887.db2.gz XFDOVTZGGHGFDX-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001402245804 924953278 /nfs/dbraw/zinc/95/32/78/924953278.db2.gz JTLUZDJRFGXYLT-XPTSAGLGSA-N 1 1 324.385 -1.137 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253397 924953775 /nfs/dbraw/zinc/95/37/75/924953775.db2.gz XFDOVTZGGHGFDX-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253397 924953783 /nfs/dbraw/zinc/95/37/83/924953783.db2.gz XFDOVTZGGHGFDX-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001402247704 924953901 /nfs/dbraw/zinc/95/39/01/924953901.db2.gz MMEHVAPLIYMHIA-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001402247704 924953907 /nfs/dbraw/zinc/95/39/07/924953907.db2.gz MMEHVAPLIYMHIA-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001402251006 924954050 /nfs/dbraw/zinc/95/40/50/924954050.db2.gz VJDPXVHSVGWXHF-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](CCO)CCC1(F)F ZINC001402233834 924954127 /nfs/dbraw/zinc/95/41/27/924954127.db2.gz HVQDCTZZHWCDIP-SECBINFHSA-N 1 1 304.301 -1.261 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001402245801 924954267 /nfs/dbraw/zinc/95/42/67/924954267.db2.gz JTLUZDJRFGXYLT-LKFCYVNXSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001402250614 924954412 /nfs/dbraw/zinc/95/44/12/924954412.db2.gz SIDXRPLMBPYMDS-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001402250614 924954417 /nfs/dbraw/zinc/95/44/17/924954417.db2.gz SIDXRPLMBPYMDS-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001402250629 924954517 /nfs/dbraw/zinc/95/45/17/924954517.db2.gz SIDXRPLMBPYMDS-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001402250629 924954519 /nfs/dbraw/zinc/95/45/19/924954519.db2.gz SIDXRPLMBPYMDS-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265497 924954899 /nfs/dbraw/zinc/95/48/99/924954899.db2.gz GXQDROFBICMDKH-CABZTGNLSA-N 1 1 306.384 -2.035 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001402265497 924954903 /nfs/dbraw/zinc/95/49/03/924954903.db2.gz GXQDROFBICMDKH-CABZTGNLSA-N 1 1 306.384 -2.035 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001402254037 924955043 /nfs/dbraw/zinc/95/50/43/924955043.db2.gz ASYZUVSQAVIKDK-MFKMUULPSA-N 1 1 319.358 -2.097 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402262721 924955472 /nfs/dbraw/zinc/95/54/72/924955472.db2.gz DPRLUMRPRNEHNX-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402262721 924955475 /nfs/dbraw/zinc/95/54/75/924955475.db2.gz DPRLUMRPRNEHNX-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001402256502 924955575 /nfs/dbraw/zinc/95/55/75/924955575.db2.gz GSVKEKNBTPQMGB-GFCCVEGCSA-N 1 1 313.383 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001402256502 924955579 /nfs/dbraw/zinc/95/55/79/924955579.db2.gz GSVKEKNBTPQMGB-GFCCVEGCSA-N 1 1 313.383 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254282 924955606 /nfs/dbraw/zinc/95/56/06/924955606.db2.gz BYYOCIKNMVCYKK-CQSZACIVSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254282 924955612 /nfs/dbraw/zinc/95/56/12/924955612.db2.gz BYYOCIKNMVCYKK-CQSZACIVSA-N 1 1 312.370 -2.188 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)Cn2cnnn2)C2CC2)n1 ZINC001402253462 924955625 /nfs/dbraw/zinc/95/56/25/924955625.db2.gz GHKYCFBPVKKJDR-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402265607 924955866 /nfs/dbraw/zinc/95/58/66/924955866.db2.gz HFFDOYUOVKLDCN-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402262603 924955947 /nfs/dbraw/zinc/95/59/47/924955947.db2.gz HICQPUXBXGLRII-FZMZJTMJSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402262603 924955957 /nfs/dbraw/zinc/95/59/57/924955957.db2.gz HICQPUXBXGLRII-FZMZJTMJSA-N 1 1 322.369 -1.846 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402265162 924956024 /nfs/dbraw/zinc/95/60/24/924956024.db2.gz FFKOYPAITOMFCU-NOZJJQNGSA-N 1 1 310.358 -1.456 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001402256390 924956285 /nfs/dbraw/zinc/95/62/85/924956285.db2.gz ABOZHMJQRDREQY-CQSZACIVSA-N 1 1 301.387 -1.482 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402265177 924956438 /nfs/dbraw/zinc/95/64/38/924956438.db2.gz FFKOYPAITOMFCU-RNCFNFMXSA-N 1 1 310.358 -1.456 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)nnn1C ZINC001402257916 924956484 /nfs/dbraw/zinc/95/64/84/924956484.db2.gz AJPMGTCNIPNFBU-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)nnn1C ZINC001402257916 924956489 /nfs/dbraw/zinc/95/64/89/924956489.db2.gz AJPMGTCNIPNFBU-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001402265496 924956726 /nfs/dbraw/zinc/95/67/26/924956726.db2.gz HSOHRYPBHMJLCN-LBPRGKRZSA-N 1 1 301.347 -2.786 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001402265496 924956732 /nfs/dbraw/zinc/95/67/32/924956732.db2.gz HSOHRYPBHMJLCN-LBPRGKRZSA-N 1 1 301.347 -2.786 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)on1 ZINC001402263098 924956876 /nfs/dbraw/zinc/95/68/76/924956876.db2.gz DEVTXPOMLBDATM-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)on1 ZINC001402263098 924956883 /nfs/dbraw/zinc/95/68/83/924956883.db2.gz DEVTXPOMLBDATM-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001402254065 924957009 /nfs/dbraw/zinc/95/70/09/924957009.db2.gz ASYZUVSQAVIKDK-ZWNOBZJWSA-N 1 1 319.358 -2.097 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001402269479 924957973 /nfs/dbraw/zinc/95/79/73/924957973.db2.gz LMLXAJVYZHUTPM-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001402269479 924957981 /nfs/dbraw/zinc/95/79/81/924957981.db2.gz LMLXAJVYZHUTPM-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402267777 924958006 /nfs/dbraw/zinc/95/80/06/924958006.db2.gz JUKAXDCWFNUAIM-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402267777 924958018 /nfs/dbraw/zinc/95/80/18/924958018.db2.gz JUKAXDCWFNUAIM-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001402268346 924958058 /nfs/dbraw/zinc/95/80/58/924958058.db2.gz SHSBVJVTPGDGJR-BXUZGUMPSA-N 1 1 317.386 -1.927 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCCCS1(=O)=O ZINC001402265641 924958694 /nfs/dbraw/zinc/95/86/94/924958694.db2.gz HUPPUDSAGNRWCG-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCCCS1(=O)=O ZINC001402265641 924958697 /nfs/dbraw/zinc/95/86/97/924958697.db2.gz HUPPUDSAGNRWCG-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402268913 924958732 /nfs/dbraw/zinc/95/87/32/924958732.db2.gz UKKJAXVFLFACFQ-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402268913 924958736 /nfs/dbraw/zinc/95/87/36/924958736.db2.gz UKKJAXVFLFACFQ-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402269753 924958882 /nfs/dbraw/zinc/95/88/82/924958882.db2.gz HXFBPCRAWAQEMT-WHPHWUKISA-N 1 1 314.382 -1.561 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402269751 924959723 /nfs/dbraw/zinc/95/97/23/924959723.db2.gz HXFBPCRAWAQEMT-DGMCESFYSA-N 1 1 314.382 -1.561 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402267466 924959836 /nfs/dbraw/zinc/95/98/36/924959836.db2.gz KITFGVCMZDVHFG-CMPLNLGQSA-N 1 1 300.338 -1.026 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001402273821 924960527 /nfs/dbraw/zinc/96/05/27/924960527.db2.gz BJICROFVLABHJV-DOMZBBRYSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001402273821 924960532 /nfs/dbraw/zinc/96/05/32/924960532.db2.gz BJICROFVLABHJV-DOMZBBRYSA-N 1 1 323.397 -1.073 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2C)C1 ZINC001402277833 924960654 /nfs/dbraw/zinc/96/06/54/924960654.db2.gz YRQFJHOGTXMESQ-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001402277654 924960684 /nfs/dbraw/zinc/96/06/84/924960684.db2.gz VBINXSJMZXOTBT-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001402277654 924960689 /nfs/dbraw/zinc/96/06/89/924960689.db2.gz VBINXSJMZXOTBT-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001402277350 924961286 /nfs/dbraw/zinc/96/12/86/924961286.db2.gz BNDOKOIOHWKVTI-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402274407 924961375 /nfs/dbraw/zinc/96/13/75/924961375.db2.gz RZZVDPLVQUWJFE-QMTHXVAHSA-N 1 1 309.370 -1.360 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001402275886 924961685 /nfs/dbraw/zinc/96/16/85/924961685.db2.gz CAIWXQCLCARGSZ-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001402275886 924961693 /nfs/dbraw/zinc/96/16/93/924961693.db2.gz CAIWXQCLCARGSZ-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001402275854 924961943 /nfs/dbraw/zinc/96/19/43/924961943.db2.gz CAIWXQCLCARGSZ-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001402275854 924961949 /nfs/dbraw/zinc/96/19/49/924961949.db2.gz CAIWXQCLCARGSZ-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402274402 924962275 /nfs/dbraw/zinc/96/22/75/924962275.db2.gz RZZVDPLVQUWJFE-HZMBPMFUSA-N 1 1 309.370 -1.360 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001402279388 924963039 /nfs/dbraw/zinc/96/30/39/924963039.db2.gz IIXLNXYJLGXDHK-NSHDSACASA-N 1 1 324.403 -2.760 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001402281349 924963067 /nfs/dbraw/zinc/96/30/67/924963067.db2.gz GYCDKNFKFVNEKK-IAQYHMDHSA-N 1 1 309.366 -1.067 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001402283714 924963078 /nfs/dbraw/zinc/96/30/78/924963078.db2.gz BTLDMQMYLAJDNQ-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402278713 924963424 /nfs/dbraw/zinc/96/34/24/924963424.db2.gz ROFWMRFWKVHWRC-VINAVUOLSA-N 1 1 311.382 -1.304 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001402282238 924963754 /nfs/dbraw/zinc/96/37/54/924963754.db2.gz QNUHKXAETFSPOG-BXUZGUMPSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001402282238 924963758 /nfs/dbraw/zinc/96/37/58/924963758.db2.gz QNUHKXAETFSPOG-BXUZGUMPSA-N 1 1 322.369 -1.647 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001402283175 924964269 /nfs/dbraw/zinc/96/42/69/924964269.db2.gz YQJUSDXBQDMEEY-IAQYHMDHSA-N 1 1 324.381 -1.039 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001402283195 924964470 /nfs/dbraw/zinc/96/44/70/924964470.db2.gz YQJUSDXBQDMEEY-XHDPSFHLSA-N 1 1 324.381 -1.039 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001402279472 924964602 /nfs/dbraw/zinc/96/46/02/924964602.db2.gz BATJSJSXJAQTLW-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001402279472 924964609 /nfs/dbraw/zinc/96/46/09/924964609.db2.gz BATJSJSXJAQTLW-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001402288178 924965320 /nfs/dbraw/zinc/96/53/20/924965320.db2.gz YXWCRBLKLPMJGN-GFCCVEGCSA-N 1 1 311.346 -2.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001402288178 924965327 /nfs/dbraw/zinc/96/53/27/924965327.db2.gz YXWCRBLKLPMJGN-GFCCVEGCSA-N 1 1 311.346 -2.686 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001402290521 924965364 /nfs/dbraw/zinc/96/53/64/924965364.db2.gz RAXVWZGSDOSVSM-CYBMUJFWSA-N 1 1 302.350 -2.059 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001402290521 924965372 /nfs/dbraw/zinc/96/53/72/924965372.db2.gz RAXVWZGSDOSVSM-CYBMUJFWSA-N 1 1 302.350 -2.059 20 0 DAADMO COCC1(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402292061 924966052 /nfs/dbraw/zinc/96/60/52/924966052.db2.gz OICYJAHXTQUWRB-XHDPSFHLSA-N 1 1 311.382 -1.146 20 0 DAADMO COCC1(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001402292061 924966058 /nfs/dbraw/zinc/96/60/58/924966058.db2.gz OICYJAHXTQUWRB-XHDPSFHLSA-N 1 1 311.382 -1.146 20 0 DAADMO Cn1ncc(CN2CC[C@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001402287178 924966406 /nfs/dbraw/zinc/96/64/06/924966406.db2.gz OYISQOPRBXRTAF-HIFRSBDPSA-N 1 1 322.413 -1.038 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001402289138 924967129 /nfs/dbraw/zinc/96/71/29/924967129.db2.gz ZUIQGPWDAIFLMR-OCCSQVGLSA-N 1 1 312.370 -1.406 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402297835 924967578 /nfs/dbraw/zinc/96/75/78/924967578.db2.gz XPSAVVVVJKHCHR-IAQYHMDHSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402297835 924967583 /nfs/dbraw/zinc/96/75/83/924967583.db2.gz XPSAVVVVJKHCHR-IAQYHMDHSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402297840 924967794 /nfs/dbraw/zinc/96/77/94/924967794.db2.gz XPSAVVVVJKHCHR-XHDPSFHLSA-N 1 1 323.397 -1.015 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402297840 924967803 /nfs/dbraw/zinc/96/78/03/924967803.db2.gz XPSAVVVVJKHCHR-XHDPSFHLSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402301044 924968258 /nfs/dbraw/zinc/96/82/58/924968258.db2.gz WXSKAFXSFMXTGA-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402301044 924968261 /nfs/dbraw/zinc/96/82/61/924968261.db2.gz WXSKAFXSFMXTGA-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001402297972 924968409 /nfs/dbraw/zinc/96/84/09/924968409.db2.gz STHSSAUQRTWBSC-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001402297972 924968414 /nfs/dbraw/zinc/96/84/14/924968414.db2.gz STHSSAUQRTWBSC-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)no1 ZINC001402301615 924968845 /nfs/dbraw/zinc/96/88/45/924968845.db2.gz BQWNZMAEQXJUJL-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001402301615 924968858 /nfs/dbraw/zinc/96/88/58/924968858.db2.gz BQWNZMAEQXJUJL-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO CCn1cc(C[NH2+][C@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001402297087 924968942 /nfs/dbraw/zinc/96/89/42/924968942.db2.gz ILAZHWQYWASNAN-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001402300869 924969409 /nfs/dbraw/zinc/96/94/09/924969409.db2.gz SLTYDAFMCWNNPD-CYBMUJFWSA-N 1 1 311.342 -1.780 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001402300869 924969412 /nfs/dbraw/zinc/96/94/12/924969412.db2.gz SLTYDAFMCWNNPD-CYBMUJFWSA-N 1 1 311.342 -1.780 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001402300386 924969418 /nfs/dbraw/zinc/96/94/18/924969418.db2.gz NMUBLJOMKAWYCW-CQSZACIVSA-N 1 1 324.385 -1.953 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001402300386 924969421 /nfs/dbraw/zinc/96/94/21/924969421.db2.gz NMUBLJOMKAWYCW-CQSZACIVSA-N 1 1 324.385 -1.953 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001402309952 924971328 /nfs/dbraw/zinc/97/13/28/924971328.db2.gz WUSHONPJYVBFAK-CYBMUJFWSA-N 1 1 310.358 -1.742 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001402309952 924971330 /nfs/dbraw/zinc/97/13/30/924971330.db2.gz WUSHONPJYVBFAK-CYBMUJFWSA-N 1 1 310.358 -1.742 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001402308113 924971449 /nfs/dbraw/zinc/97/14/49/924971449.db2.gz GVZPKPRWRLFVBC-BMIGLBTASA-N 1 1 322.365 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001402308146 924971584 /nfs/dbraw/zinc/97/15/84/924971584.db2.gz GVZPKPRWRLFVBC-BONVTDFDSA-N 1 1 322.365 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001402318328 924972220 /nfs/dbraw/zinc/97/22/20/924972220.db2.gz OSQGIAJBRKBUFH-AWEZNQCLSA-N 1 1 312.370 -1.463 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CCNC(=O)C2CC2)C1 ZINC001402315163 924973284 /nfs/dbraw/zinc/97/32/84/924973284.db2.gz GGVSIBFKSXSSJW-CYBMUJFWSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001402310835 924973545 /nfs/dbraw/zinc/97/35/45/924973545.db2.gz XUMZWJXZRJUEQT-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001402310835 924973553 /nfs/dbraw/zinc/97/35/53/924973553.db2.gz XUMZWJXZRJUEQT-ZDUSSCGKSA-N 1 1 300.359 -2.059 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)n1 ZINC001402310423 924973689 /nfs/dbraw/zinc/97/36/89/924973689.db2.gz ILWQLMUWMZEDLZ-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402324365 924974815 /nfs/dbraw/zinc/97/48/15/924974815.db2.gz RQIHXJVDWKSKPB-QWRGUYRKSA-N 1 1 323.401 -1.472 20 0 DAADMO O=C(CCN1CCCC1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001402323058 924974956 /nfs/dbraw/zinc/97/49/56/924974956.db2.gz USIGKABGBUTAIA-OAHLLOKOSA-N 1 1 313.398 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001402329511 924976587 /nfs/dbraw/zinc/97/65/87/924976587.db2.gz DHZCACCOVRJFAZ-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1COC(=O)N1 ZINC001402327940 924976922 /nfs/dbraw/zinc/97/69/22/924976922.db2.gz VIGGWCPJPCFEIB-GHMZBOCLSA-N 1 1 313.354 -1.316 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001402329700 924978145 /nfs/dbraw/zinc/97/81/45/924978145.db2.gz ARUOWKBQZXMJRX-QWHCGFSZSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@H](CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)NC(N)=O ZINC001402334452 924979380 /nfs/dbraw/zinc/97/93/80/924979380.db2.gz JVUIFOLIUHFALU-MNOVXSKESA-N 1 1 314.386 -1.367 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001402336819 924980261 /nfs/dbraw/zinc/98/02/61/924980261.db2.gz LWNCCJVFDAFWJY-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001402350003 924985173 /nfs/dbraw/zinc/98/51/73/924985173.db2.gz RDODNBCIJDLFDX-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001402355742 924985848 /nfs/dbraw/zinc/98/58/48/924985848.db2.gz NLQBNGOHPSYMDE-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)C1 ZINC001402357948 924986272 /nfs/dbraw/zinc/98/62/72/924986272.db2.gz UAMKODDOHKSNBB-GFCCVEGCSA-N 1 1 324.425 -1.230 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402354622 924987033 /nfs/dbraw/zinc/98/70/33/924987033.db2.gz OHLGSFGQOGVSSU-OLZOCXBDSA-N 1 1 315.414 -1.502 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001402363242 924989900 /nfs/dbraw/zinc/98/99/00/924989900.db2.gz RSVIKCBANHBBRT-ZDUSSCGKSA-N 1 1 322.413 -1.038 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001402381527 924991575 /nfs/dbraw/zinc/99/15/75/924991575.db2.gz SUIANPZQKNGAFR-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001402376796 924992015 /nfs/dbraw/zinc/99/20/15/924992015.db2.gz WANOURKWUIGULE-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(NCCN1CCC([NH2+][C@H]2CCNC2=O)CC1)c1cnn[nH]1 ZINC001402429698 924994251 /nfs/dbraw/zinc/99/42/51/924994251.db2.gz OASSJLFKEBCRBR-NSHDSACASA-N 1 1 321.385 -1.523 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001402426490 924994710 /nfs/dbraw/zinc/99/47/10/924994710.db2.gz ZKZCFLKZWVGQOU-AOOOYVTPSA-N 1 1 318.399 -2.247 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001402425143 924995211 /nfs/dbraw/zinc/99/52/11/924995211.db2.gz PDQFWICVQJOLQZ-XQQFMLRXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2cncn2)C1 ZINC001402448084 924996654 /nfs/dbraw/zinc/99/66/54/924996654.db2.gz GDUAOYDHGICKEI-JSGCOSHPSA-N 1 1 311.386 -1.008 20 0 DAADMO CC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001402439457 924996959 /nfs/dbraw/zinc/99/69/59/924996959.db2.gz UAHYMUNBAKUSJM-DZGCQCFKSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001402437463 924997104 /nfs/dbraw/zinc/99/71/04/924997104.db2.gz NCXHNASKIJVQQD-PHIMTYICSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001402442210 924997547 /nfs/dbraw/zinc/99/75/47/924997547.db2.gz TZRVOUWTJXIBNN-SDDRHHMPSA-N 1 1 321.385 -1.275 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001402456677 924998220 /nfs/dbraw/zinc/99/82/20/924998220.db2.gz MXPAFIPASAIJTN-PWSUYJOCSA-N 1 1 321.399 -2.387 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402458677 924998337 /nfs/dbraw/zinc/99/83/37/924998337.db2.gz WIATYAUOOFSNMH-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001402455130 924998501 /nfs/dbraw/zinc/99/85/01/924998501.db2.gz UGIHJZGOUNZZHG-RISCZKNCSA-N 1 1 316.402 -1.371 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001402458512 924999124 /nfs/dbraw/zinc/99/91/24/924999124.db2.gz ZUSGKEKIMOVLTR-ZWNOBZJWSA-N 1 1 302.375 -1.761 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001402457291 925000190 /nfs/dbraw/zinc/00/01/90/925000190.db2.gz YBMXNUNXGAETKO-JMSVASOKSA-N 1 1 312.414 -1.245 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001402472192 925000500 /nfs/dbraw/zinc/00/05/00/925000500.db2.gz ZKHFLKBKVSBJPE-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001402460209 925001442 /nfs/dbraw/zinc/00/14/42/925001442.db2.gz BQMQYAHJKRVVJT-YNEHKIRRSA-N 1 1 324.385 -1.397 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001402469770 925002359 /nfs/dbraw/zinc/00/23/59/925002359.db2.gz IVUJCKTZDSESOK-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001402470532 925002485 /nfs/dbraw/zinc/00/24/85/925002485.db2.gz YHMQPKOZWZTMIJ-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001402470532 925002494 /nfs/dbraw/zinc/00/24/94/925002494.db2.gz YHMQPKOZWZTMIJ-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001402463829 925002630 /nfs/dbraw/zinc/00/26/30/925002630.db2.gz TXYOHZQSSMDZMK-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001402483789 925003883 /nfs/dbraw/zinc/00/38/83/925003883.db2.gz MCBUJYMAJZBVDL-IJLUTSLNSA-N 1 1 324.385 -1.104 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001402498884 925006023 /nfs/dbraw/zinc/00/60/23/925006023.db2.gz VONLGQCWRPQXKN-SDDRHHMPSA-N 1 1 323.397 -1.131 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001402498884 925006030 /nfs/dbraw/zinc/00/60/30/925006030.db2.gz VONLGQCWRPQXKN-SDDRHHMPSA-N 1 1 323.397 -1.131 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001402498870 925006348 /nfs/dbraw/zinc/00/63/48/925006348.db2.gz VONLGQCWRPQXKN-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001402498870 925006359 /nfs/dbraw/zinc/00/63/59/925006359.db2.gz VONLGQCWRPQXKN-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001402512518 925007324 /nfs/dbraw/zinc/00/73/24/925007324.db2.gz JENSESXMGHYYOW-DCAQKATOSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001402533708 925009045 /nfs/dbraw/zinc/00/90/45/925009045.db2.gz STDCYQJTPFELRN-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001402533708 925009056 /nfs/dbraw/zinc/00/90/56/925009056.db2.gz STDCYQJTPFELRN-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](O)CN1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001402533462 925009376 /nfs/dbraw/zinc/00/93/76/925009376.db2.gz SICSGNNKMVAQRN-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](O)CN1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001402533456 925009732 /nfs/dbraw/zinc/00/97/32/925009732.db2.gz SICSGNNKMVAQRN-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001402533699 925009850 /nfs/dbraw/zinc/00/98/50/925009850.db2.gz STDCYQJTPFELRN-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001402533699 925009860 /nfs/dbraw/zinc/00/98/60/925009860.db2.gz STDCYQJTPFELRN-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1CC(=O)NC ZINC001402526258 925009982 /nfs/dbraw/zinc/00/99/82/925009982.db2.gz JIUABPIDOAFHAE-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001402547570 925011064 /nfs/dbraw/zinc/01/10/64/925011064.db2.gz IZAHDGBPNJCLNO-ZKCHVHJHSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001402565908 925011511 /nfs/dbraw/zinc/01/15/11/925011511.db2.gz XYWUZWQCHDWMSH-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001402574311 925013618 /nfs/dbraw/zinc/01/36/18/925013618.db2.gz FZHYDUWSWIMBCS-DTORHVGOSA-N 1 1 301.372 -1.404 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CN1CCOCC1=O ZINC001402634128 925019066 /nfs/dbraw/zinc/01/90/66/925019066.db2.gz QKIYKQNGSRRVES-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCOCC1=O ZINC001402631941 925020078 /nfs/dbraw/zinc/02/00/78/925020078.db2.gz NCSZNFHXLPPVKR-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001402647731 925020322 /nfs/dbraw/zinc/02/03/22/925020322.db2.gz HKZZVGZZOPMAJY-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001402634116 925020556 /nfs/dbraw/zinc/02/05/56/925020556.db2.gz PVHBZFCEKATJCH-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001402647737 925020615 /nfs/dbraw/zinc/02/06/15/925020615.db2.gz HKZZVGZZOPMAJY-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001402665931 925021498 /nfs/dbraw/zinc/02/14/98/925021498.db2.gz QFURQQDJHPCHKN-LLVKDONJSA-N 1 1 322.431 -1.749 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1)C(N)=O ZINC001402668262 925022317 /nfs/dbraw/zinc/02/23/17/925022317.db2.gz KAJHNAFRBGCZRU-NEPJUHHUSA-N 1 1 314.386 -1.813 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001402668714 925022393 /nfs/dbraw/zinc/02/23/93/925022393.db2.gz YXSQLHNIFUDUFU-SNVBAGLBSA-N 1 1 310.395 -1.162 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001402707496 925023660 /nfs/dbraw/zinc/02/36/60/925023660.db2.gz CXYJCNAZEBMHEX-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001402730065 925025055 /nfs/dbraw/zinc/02/50/55/925025055.db2.gz OPDVZFRHDCLKLG-AWEZNQCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001402728208 925025634 /nfs/dbraw/zinc/02/56/34/925025634.db2.gz ZNYCVFXTHFZMDO-CYBMUJFWSA-N 1 1 319.427 -1.158 20 0 DAADMO C[NH+]1CCC(C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)CC1 ZINC001402721554 925025933 /nfs/dbraw/zinc/02/59/33/925025933.db2.gz ODJNUKHMCAXACN-OAHLLOKOSA-N 1 1 312.414 -1.243 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001402752585 925026280 /nfs/dbraw/zinc/02/62/80/925026280.db2.gz PQRBJHHEYQVJSD-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402762683 925026466 /nfs/dbraw/zinc/02/64/66/925026466.db2.gz HVVFSAGRBCRMPP-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001402765625 925026949 /nfs/dbraw/zinc/02/69/49/925026949.db2.gz OESMKRNOJQFNPR-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1)N1CCC1 ZINC001402751083 925028094 /nfs/dbraw/zinc/02/80/94/925028094.db2.gz RSGXNSDZSUQXFI-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1)N1CCC1 ZINC001402751083 925028100 /nfs/dbraw/zinc/02/81/00/925028100.db2.gz RSGXNSDZSUQXFI-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001402794385 925029032 /nfs/dbraw/zinc/02/90/32/925029032.db2.gz PQMSDAWQYCIIEO-KOLCDFICSA-N 1 1 322.369 -1.156 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001402780088 925029584 /nfs/dbraw/zinc/02/95/84/925029584.db2.gz YEOQNMZYWYFLEM-MOWSAHLDSA-N 1 1 311.382 -1.482 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001402778660 925029655 /nfs/dbraw/zinc/02/96/55/925029655.db2.gz OELLFAVMFIWXHF-VLLVSFFDSA-N 1 1 314.386 -1.513 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001402778661 925030302 /nfs/dbraw/zinc/03/03/02/925030302.db2.gz OELLFAVMFIWXHF-YFVNTRNASA-N 1 1 314.386 -1.513 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC001402816060 925031230 /nfs/dbraw/zinc/03/12/30/925031230.db2.gz FWTSAPSMXFCKDO-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001402811251 925031259 /nfs/dbraw/zinc/03/12/59/925031259.db2.gz ONAYRINCOBFWBE-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1CCF ZINC001402837201 925034330 /nfs/dbraw/zinc/03/43/30/925034330.db2.gz CTMZHUMEMKINFY-VIFPVBQESA-N 1 1 311.325 -1.471 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001402876874 925036441 /nfs/dbraw/zinc/03/64/41/925036441.db2.gz QGPHEUGTTQWSFC-OUAUKWLOSA-N 1 1 324.381 -2.061 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)CCNC(N)=O ZINC001402894396 925038214 /nfs/dbraw/zinc/03/82/14/925038214.db2.gz LXJXMMUWJUXUHA-JTQLQIEISA-N 1 1 324.389 -1.261 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001402896538 925039168 /nfs/dbraw/zinc/03/91/68/925039168.db2.gz RSPXOLOSNLGGLA-MRVPVSSYSA-N 1 1 319.387 -1.136 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001402888892 925039262 /nfs/dbraw/zinc/03/92/62/925039262.db2.gz XIAKTBOVKANSSQ-SECBINFHSA-N 1 1 313.358 -2.643 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001402902271 925040053 /nfs/dbraw/zinc/04/00/53/925040053.db2.gz AGQOANJEJHFUJH-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)cc1=O ZINC001402925803 925040132 /nfs/dbraw/zinc/04/01/32/925040132.db2.gz JUFKHMKZAJSDCE-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)cc1=O ZINC001402925803 925040140 /nfs/dbraw/zinc/04/01/40/925040140.db2.gz JUFKHMKZAJSDCE-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001402907075 925041242 /nfs/dbraw/zinc/04/12/42/925041242.db2.gz UERVKBQZGMHNGS-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402918806 925041575 /nfs/dbraw/zinc/04/15/75/925041575.db2.gz DRWGJBMMPAOGFR-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402918806 925041584 /nfs/dbraw/zinc/04/15/84/925041584.db2.gz DRWGJBMMPAOGFR-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402945965 925043230 /nfs/dbraw/zinc/04/32/30/925043230.db2.gz XJSMYLPCNHMJHR-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001402933499 925043567 /nfs/dbraw/zinc/04/35/67/925043567.db2.gz NSKJTEZKYMFWTJ-QMMMGPOBSA-N 1 1 322.329 -2.233 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001402971857 925044343 /nfs/dbraw/zinc/04/43/43/925044343.db2.gz ATCBGMVVESMJOV-SKDRFNHKSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001402992304 925044519 /nfs/dbraw/zinc/04/45/19/925044519.db2.gz CGOZCHNSZFANSF-BBBLOLIVSA-N 1 1 322.369 -1.476 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001402982270 925044537 /nfs/dbraw/zinc/04/45/37/925044537.db2.gz TTWGFJSWPFLHLE-NXEZZACHSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001402972732 925045172 /nfs/dbraw/zinc/04/51/72/925045172.db2.gz YQKSRAVRPVAPSQ-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001403012415 925046698 /nfs/dbraw/zinc/04/66/98/925046698.db2.gz RKPFGDZWQJHRGH-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2ncccn2)c(=O)n1C ZINC001403076853 925048895 /nfs/dbraw/zinc/04/88/95/925048895.db2.gz BJSZERDQZXDFJV-SNVBAGLBSA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001403059291 925049796 /nfs/dbraw/zinc/04/97/96/925049796.db2.gz RXGKJXKMVZHBTC-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403066562 925050030 /nfs/dbraw/zinc/05/00/30/925050030.db2.gz YBJVMRPVLTXIDG-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403073739 925050294 /nfs/dbraw/zinc/05/02/94/925050294.db2.gz AOGXZJPTSZITNB-SECBINFHSA-N 1 1 323.357 -2.600 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403064024 925050563 /nfs/dbraw/zinc/05/05/63/925050563.db2.gz WXUKLEKPHQMIBC-BDAKNGLRSA-N 1 1 323.357 -1.510 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001403064155 925050596 /nfs/dbraw/zinc/05/05/96/925050596.db2.gz YGFGWIXQFWDEHX-RKDXNWHRSA-N 1 1 310.358 -1.109 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001403093978 925051381 /nfs/dbraw/zinc/05/13/81/925051381.db2.gz DVGHTUMUHOSVQI-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001403109121 925051872 /nfs/dbraw/zinc/05/18/72/925051872.db2.gz KUKRVFYHXCOHNU-NXEZZACHSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001403104788 925052406 /nfs/dbraw/zinc/05/24/06/925052406.db2.gz FRQASXGYCNQBJD-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001403124181 925053999 /nfs/dbraw/zinc/05/39/99/925053999.db2.gz LQUDGCXJJOEQBW-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001403124181 925054004 /nfs/dbraw/zinc/05/40/04/925054004.db2.gz LQUDGCXJJOEQBW-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001403133540 925054027 /nfs/dbraw/zinc/05/40/27/925054027.db2.gz YPGYIFWIDQBREX-GXSJLCMTSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001403133540 925054031 /nfs/dbraw/zinc/05/40/31/925054031.db2.gz YPGYIFWIDQBREX-GXSJLCMTSA-N 1 1 308.400 -1.525 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001403127310 925054152 /nfs/dbraw/zinc/05/41/52/925054152.db2.gz FIBKWDZAWSMTND-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001403127310 925054163 /nfs/dbraw/zinc/05/41/63/925054163.db2.gz FIBKWDZAWSMTND-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@H+](C)[C@H](C)C(N)=O ZINC001403122980 925054210 /nfs/dbraw/zinc/05/42/10/925054210.db2.gz FEGDMCOLMYUFLS-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@H](C)C(N)=O ZINC001403122980 925054222 /nfs/dbraw/zinc/05/42/22/925054222.db2.gz FEGDMCOLMYUFLS-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001403129710 925054440 /nfs/dbraw/zinc/05/44/40/925054440.db2.gz IIOQSCQFBGFIMB-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nonc1C ZINC001403135647 925055587 /nfs/dbraw/zinc/05/55/87/925055587.db2.gz JJLSRQQFFPVCEF-SSDOTTSWSA-N 1 1 305.360 -1.478 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001403127291 925055732 /nfs/dbraw/zinc/05/57/32/925055732.db2.gz FIBKWDZAWSMTND-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001403127291 925055741 /nfs/dbraw/zinc/05/57/41/925055741.db2.gz FIBKWDZAWSMTND-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001403129722 925055802 /nfs/dbraw/zinc/05/58/02/925055802.db2.gz IIOQSCQFBGFIMB-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001403124168 925055828 /nfs/dbraw/zinc/05/58/28/925055828.db2.gz LQUDGCXJJOEQBW-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001403124168 925055836 /nfs/dbraw/zinc/05/58/36/925055836.db2.gz LQUDGCXJJOEQBW-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001403160950 925057567 /nfs/dbraw/zinc/05/75/67/925057567.db2.gz PMZJZDXQTZPCDZ-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001403154684 925057845 /nfs/dbraw/zinc/05/78/45/925057845.db2.gz DAKJEHZWEZMIKK-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)[N@H+](C)CC(N)=O ZINC001403180947 925058851 /nfs/dbraw/zinc/05/88/51/925058851.db2.gz JRCGWZFAGURXCS-WPRPVWTQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)[N@@H+](C)CC(N)=O ZINC001403180947 925058859 /nfs/dbraw/zinc/05/88/59/925058859.db2.gz JRCGWZFAGURXCS-WPRPVWTQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H](C)[N@H+](C)CCF ZINC001403199887 925058974 /nfs/dbraw/zinc/05/89/74/925058974.db2.gz UPPJMQNKQBEBLH-NXEZZACHSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H](C)[N@@H+](C)CCF ZINC001403199887 925058981 /nfs/dbraw/zinc/05/89/81/925058981.db2.gz UPPJMQNKQBEBLH-NXEZZACHSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001403184979 925059134 /nfs/dbraw/zinc/05/91/34/925059134.db2.gz LBYXFCGKTAPTMK-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001403184979 925059143 /nfs/dbraw/zinc/05/91/43/925059143.db2.gz LBYXFCGKTAPTMK-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO CNC(=O)CN(C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403179734 925059197 /nfs/dbraw/zinc/05/91/97/925059197.db2.gz WDPQVYBMLXVRRV-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[N@H+](C)CC(N)=O ZINC001403180942 925060131 /nfs/dbraw/zinc/06/01/31/925060131.db2.gz JRCGWZFAGURXCS-PSASIEDQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[N@@H+](C)CC(N)=O ZINC001403180942 925060135 /nfs/dbraw/zinc/06/01/35/925060135.db2.gz JRCGWZFAGURXCS-PSASIEDQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001403209404 925060946 /nfs/dbraw/zinc/06/09/46/925060946.db2.gz VXHDKCBPZUUBSO-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403209404 925060951 /nfs/dbraw/zinc/06/09/51/925060951.db2.gz VXHDKCBPZUUBSO-BDAKNGLRSA-N 1 1 308.404 -1.812 20 0 DAADMO CC(C)C[NH+]1CC(CCO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001403250955 925068537 /nfs/dbraw/zinc/06/85/37/925068537.db2.gz APGLYGJFVPRSKQ-UHFFFAOYSA-N 1 1 324.385 -1.414 20 0 DAADMO CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)Cn3cnnn3)C2)C1=O ZINC001403297009 925068617 /nfs/dbraw/zinc/06/86/17/925068617.db2.gz JRXVEKNQUCNBNK-JQWIXIFHSA-N 1 1 321.385 -1.270 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)Cn3cnnn3)C2)C1=O ZINC001403297001 925069016 /nfs/dbraw/zinc/06/90/16/925069016.db2.gz JRXVEKNQUCNBNK-CMPLNLGQSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCn2ncn(C)c2=O)C1 ZINC001403309418 925069925 /nfs/dbraw/zinc/06/99/25/925069925.db2.gz FVSZNKWUJFOZRR-VHSXEESVSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](NC(=O)CCCS(N)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403316077 925070444 /nfs/dbraw/zinc/07/04/44/925070444.db2.gz DHXQTDNLCDZNLI-IUCAKERBSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@@H](NC(=O)CCn1ncn(C)c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403309426 925070477 /nfs/dbraw/zinc/07/04/77/925070477.db2.gz FVSZNKWUJFOZRR-ZJUUUORDSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](NC(=O)CCCS(N)(=O)=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403316081 925070949 /nfs/dbraw/zinc/07/09/49/925070949.db2.gz DHXQTDNLCDZNLI-RKDXNWHRSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@H](NC(=O)Cn1cncn1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001403320042 925070966 /nfs/dbraw/zinc/07/09/66/925070966.db2.gz BVZUSTITMAQUDQ-IUCAKERBSA-N 1 1 323.357 -1.702 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001403316376 925071094 /nfs/dbraw/zinc/07/10/94/925071094.db2.gz BVXVCUCOVOILBT-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001403318560 925071135 /nfs/dbraw/zinc/07/11/35/925071135.db2.gz FSGSUJXEEXJBIL-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)C(C)(C)C1 ZINC001403355622 925071829 /nfs/dbraw/zinc/07/18/29/925071829.db2.gz HQWSFWJOQWRXIE-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)C(C)(C)C1 ZINC001403355622 925071831 /nfs/dbraw/zinc/07/18/31/925071831.db2.gz HQWSFWJOQWRXIE-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403359543 925071918 /nfs/dbraw/zinc/07/19/18/925071918.db2.gz VZZPCAFZEAUZHD-JTQLQIEISA-N 1 1 313.402 -1.042 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403342689 925073126 /nfs/dbraw/zinc/07/31/26/925073126.db2.gz LZADPCTTYPDKEK-YUMQZZPRSA-N 1 1 306.388 -2.154 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(C[C@H](C)O)C2)C1 ZINC001403346957 925073272 /nfs/dbraw/zinc/07/32/72/925073272.db2.gz VYKIDKXPEHWYGB-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(C[C@H](C)O)C2)C1 ZINC001403346957 925073279 /nfs/dbraw/zinc/07/32/79/925073279.db2.gz VYKIDKXPEHWYGB-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1(CCO)C[NH+](CC(C)C)C1 ZINC001403347384 925073316 /nfs/dbraw/zinc/07/33/16/925073316.db2.gz YKDSOEYGLCKRNS-UHFFFAOYSA-N 1 1 307.416 -1.255 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001403369402 925073951 /nfs/dbraw/zinc/07/39/51/925073951.db2.gz BJXQBZZNMYWFMW-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001403383730 925074483 /nfs/dbraw/zinc/07/44/83/925074483.db2.gz SBNFHZIRZSYGJJ-FIQHERPVSA-N 1 1 319.427 -1.400 20 0 DAADMO C[C@H](CCNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001403415501 925075493 /nfs/dbraw/zinc/07/54/93/925075493.db2.gz IPZOYYJQSRBFCX-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001403406596 925075819 /nfs/dbraw/zinc/07/58/19/925075819.db2.gz HRYMADJVYNCTBI-AATLWQCWSA-N 1 1 318.399 -2.297 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001403389451 925075923 /nfs/dbraw/zinc/07/59/23/925075923.db2.gz PKDBYPMBXGACPJ-KKOKHZNYSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001403406609 925075955 /nfs/dbraw/zinc/07/59/55/925075955.db2.gz HRYMADJVYNCTBI-KYXWUPHJSA-N 1 1 318.399 -2.297 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001403427710 925076872 /nfs/dbraw/zinc/07/68/72/925076872.db2.gz VDSJMQGDPAPTDF-KKOKHZNYSA-N 1 1 319.427 -1.136 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001403426164 925077571 /nfs/dbraw/zinc/07/75/71/925077571.db2.gz UCGIMOQDSWUJBC-YFKTTZPYSA-N 1 1 304.354 -1.539 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001403430907 925077593 /nfs/dbraw/zinc/07/75/93/925077593.db2.gz YCPHCEWEJOEFCX-CNDDSTCGSA-N 1 1 323.397 -1.383 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](C)CC(=O)N(C)C)CC1 ZINC001403459947 925078462 /nfs/dbraw/zinc/07/84/62/925078462.db2.gz QBMOWNIRYDVMEP-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](CCNC(=O)[C@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001403462954 925078593 /nfs/dbraw/zinc/07/85/93/925078593.db2.gz GJRAZTIEAQUGHD-VXGBXAGGSA-N 1 1 300.403 -1.076 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001403485071 925078779 /nfs/dbraw/zinc/07/87/79/925078779.db2.gz HPDIPDBNYSOWBE-SNVBAGLBSA-N 1 1 307.416 -1.149 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC001403485071 925078784 /nfs/dbraw/zinc/07/87/84/925078784.db2.gz HPDIPDBNYSOWBE-SNVBAGLBSA-N 1 1 307.416 -1.149 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001403458363 925079742 /nfs/dbraw/zinc/07/97/42/925079742.db2.gz WLRWNIJDPZEGRW-FIQHERPVSA-N 1 1 321.385 -1.508 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001403509857 925080167 /nfs/dbraw/zinc/08/01/67/925080167.db2.gz NJHAOPUNQCSYGB-RKDXNWHRSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001403509857 925080178 /nfs/dbraw/zinc/08/01/78/925080178.db2.gz NJHAOPUNQCSYGB-RKDXNWHRSA-N 1 1 314.342 -1.701 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498069 925080957 /nfs/dbraw/zinc/08/09/57/925080957.db2.gz SMMUXFJWOUUUJI-VXGBXAGGSA-N 1 1 324.385 -1.048 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001403529748 925082274 /nfs/dbraw/zinc/08/22/74/925082274.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001403529748 925082284 /nfs/dbraw/zinc/08/22/84/925082284.db2.gz HTLKSSYGARWFIC-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001403544584 925082699 /nfs/dbraw/zinc/08/26/99/925082699.db2.gz JAMSIJAXMHPQGU-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO C[N@@H+](CCNC(=O)CO[C@H]1CCOC1)CCN1CCNC1=O ZINC001403559540 925083523 /nfs/dbraw/zinc/08/35/23/925083523.db2.gz LULYTFBQIXGGSH-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO C[N@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)[C@H]1CCNC1=O ZINC001403559562 925084213 /nfs/dbraw/zinc/08/42/13/925084213.db2.gz ATTNTNMPWNTRSN-VIFPVBQESA-N 1 1 309.374 -1.022 20 0 DAADMO C[N@@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)[C@H]1CCNC1=O ZINC001403559562 925084220 /nfs/dbraw/zinc/08/42/20/925084220.db2.gz ATTNTNMPWNTRSN-VIFPVBQESA-N 1 1 309.374 -1.022 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001403564490 925084270 /nfs/dbraw/zinc/08/42/70/925084270.db2.gz MAVOJTOVEFIUEG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403564490 925084276 /nfs/dbraw/zinc/08/42/76/925084276.db2.gz MAVOJTOVEFIUEG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001403544466 925084573 /nfs/dbraw/zinc/08/45/73/925084573.db2.gz JAMSIJAXMHPQGU-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@H]1CCCCO1 ZINC001403558718 925084653 /nfs/dbraw/zinc/08/46/53/925084653.db2.gz AGMQSZHXKWOEPA-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001403549201 925084751 /nfs/dbraw/zinc/08/47/51/925084751.db2.gz YJPNKNGNELTVPN-QMMMGPOBSA-N 1 1 300.315 -1.818 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001403549201 925084761 /nfs/dbraw/zinc/08/47/61/925084761.db2.gz YJPNKNGNELTVPN-QMMMGPOBSA-N 1 1 300.315 -1.818 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC001403542695 925084777 /nfs/dbraw/zinc/08/47/77/925084777.db2.gz PVCSVWIJIOKBNY-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC001403542695 925084784 /nfs/dbraw/zinc/08/47/84/925084784.db2.gz PVCSVWIJIOKBNY-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001403584734 925085324 /nfs/dbraw/zinc/08/53/24/925085324.db2.gz SSFKAGWKAYIABQ-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001403584734 925085333 /nfs/dbraw/zinc/08/53/33/925085333.db2.gz SSFKAGWKAYIABQ-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001403570402 925085878 /nfs/dbraw/zinc/08/58/78/925085878.db2.gz VCEGWDQOLQYRGS-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001403570402 925085887 /nfs/dbraw/zinc/08/58/87/925085887.db2.gz VCEGWDQOLQYRGS-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1)S(C)(=O)=O ZINC001403568634 925085919 /nfs/dbraw/zinc/08/59/19/925085919.db2.gz RKVXJIOJAWPARJ-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001403587838 925087358 /nfs/dbraw/zinc/08/73/58/925087358.db2.gz QTHREOKEKOJPQD-JTQLQIEISA-N 1 1 323.401 -1.519 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001403608529 925087973 /nfs/dbraw/zinc/08/79/73/925087973.db2.gz PCSJRWINMGYRGU-JTQLQIEISA-N 1 1 313.358 -2.825 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001403608529 925087981 /nfs/dbraw/zinc/08/79/81/925087981.db2.gz PCSJRWINMGYRGU-JTQLQIEISA-N 1 1 313.358 -2.825 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c1Cl ZINC001403593496 925088160 /nfs/dbraw/zinc/08/81/60/925088160.db2.gz RRXSPBGBYPMNFB-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c1Cl ZINC001403593496 925088163 /nfs/dbraw/zinc/08/81/63/925088163.db2.gz RRXSPBGBYPMNFB-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CNC(=O)C1CC1 ZINC001403641095 925093339 /nfs/dbraw/zinc/09/33/39/925093339.db2.gz BVUVQIFHQYUJAU-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)o1 ZINC001403643022 925093578 /nfs/dbraw/zinc/09/35/78/925093578.db2.gz GDGJZKSFIVOVJJ-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCN(C)C2=O)n[nH]1 ZINC001403646182 925094018 /nfs/dbraw/zinc/09/40/18/925094018.db2.gz AHNOUFOEOWSIKK-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccoc1)N1CCNC(=O)C1 ZINC001403643962 925094637 /nfs/dbraw/zinc/09/46/37/925094637.db2.gz HSMNJYGRIJOYLH-NSHDSACASA-N 1 1 324.337 -2.082 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403649428 925095436 /nfs/dbraw/zinc/09/54/36/925095436.db2.gz KIVRTEXUZZAXRW-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001403650229 925096955 /nfs/dbraw/zinc/09/69/55/925096955.db2.gz DOCUSVTVDZNNGD-OLZOCXBDSA-N 1 1 311.386 -1.683 20 0 DAADMO Cn1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001403650229 925096965 /nfs/dbraw/zinc/09/69/65/925096965.db2.gz DOCUSVTVDZNNGD-OLZOCXBDSA-N 1 1 311.386 -1.683 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)o1 ZINC001403650606 925098766 /nfs/dbraw/zinc/09/87/66/925098766.db2.gz INJCGXBEROYLIP-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO CCn1cc(CN[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001403651092 925099268 /nfs/dbraw/zinc/09/92/68/925099268.db2.gz NAVLHIIJKPVXHB-OLZOCXBDSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CN2CCOCC2)ncn1 ZINC001403654956 925100534 /nfs/dbraw/zinc/10/05/34/925100534.db2.gz LBWKLYPFKMEDRX-CQSZACIVSA-N 1 1 323.397 -1.316 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)c1N ZINC001403654277 925100717 /nfs/dbraw/zinc/10/07/17/925100717.db2.gz XNKXWBAKGPCNQP-QMMMGPOBSA-N 1 1 308.346 -1.989 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1)[C@@H]1COC(=O)N1 ZINC001403656484 925100849 /nfs/dbraw/zinc/10/08/49/925100849.db2.gz CQHRCTUJPUFEAZ-QWRGUYRKSA-N 1 1 312.301 -1.104 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N1CCC1 ZINC001403656480 925101125 /nfs/dbraw/zinc/10/11/25/925101125.db2.gz AWFFLTJXNLVADQ-QJPTWQEYSA-N 1 1 321.381 -1.188 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)CNC(=O)OC ZINC001403658907 925101962 /nfs/dbraw/zinc/10/19/62/925101962.db2.gz WUHYHODISLBAIV-SECBINFHSA-N 1 1 314.346 -1.779 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)n1cncn1 ZINC001403659834 925102643 /nfs/dbraw/zinc/10/26/43/925102643.db2.gz OLOVQEMPERUKJK-CMPLNLGQSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cc(=O)n(C)cn2)on1 ZINC001403658431 925102880 /nfs/dbraw/zinc/10/28/80/925102880.db2.gz CIZWPDVYODDICJ-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1CC ZINC001403661563 925104316 /nfs/dbraw/zinc/10/43/16/925104316.db2.gz UCQAJWVYUIKJAP-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001403666270 925106173 /nfs/dbraw/zinc/10/61/73/925106173.db2.gz JCGWDPRXVPSPNT-LLVKDONJSA-N 1 1 323.357 -2.418 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001403669331 925108612 /nfs/dbraw/zinc/10/86/12/925108612.db2.gz LNDAACQDERGIPL-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001403669330 925108995 /nfs/dbraw/zinc/10/89/95/925108995.db2.gz LNDAACQDERGIPL-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001403668201 925109065 /nfs/dbraw/zinc/10/90/65/925109065.db2.gz JOSPHOGSOOOBSK-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCNC(=O)CC1 ZINC001403673998 925110611 /nfs/dbraw/zinc/11/06/11/925110611.db2.gz QVYAJPVDQUJARV-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCNC(=O)CC1 ZINC001403673997 925110636 /nfs/dbraw/zinc/11/06/36/925110636.db2.gz QVYAJPVDQUJARV-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccccn1)C1CS(=O)(=O)C1 ZINC001403681635 925114009 /nfs/dbraw/zinc/11/40/09/925114009.db2.gz ZLEUARBWUDUPID-GFCCVEGCSA-N 1 1 313.379 -1.307 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001403688375 925115707 /nfs/dbraw/zinc/11/57/07/925115707.db2.gz XIMRKDHJCUBRFE-QWRGUYRKSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001403688375 925115711 /nfs/dbraw/zinc/11/57/11/925115711.db2.gz XIMRKDHJCUBRFE-QWRGUYRKSA-N 1 1 323.401 -1.192 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)cn1 ZINC001403685806 925115871 /nfs/dbraw/zinc/11/58/71/925115871.db2.gz QPCHWTLNRMQCMX-LBPRGKRZSA-N 1 1 306.370 -1.037 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001403684707 925115934 /nfs/dbraw/zinc/11/59/34/925115934.db2.gz QREWDQKSRFDQPB-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001403688373 925117280 /nfs/dbraw/zinc/11/72/80/925117280.db2.gz XIMRKDHJCUBRFE-GHMZBOCLSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001403688373 925117286 /nfs/dbraw/zinc/11/72/86/925117286.db2.gz XIMRKDHJCUBRFE-GHMZBOCLSA-N 1 1 323.401 -1.192 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]CCO)c1ccn(-c2ccncc2)n1 ZINC001403692574 925117960 /nfs/dbraw/zinc/11/79/60/925117960.db2.gz SLYKZHZHUGWYKX-LLVKDONJSA-N 1 1 305.338 -1.060 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)N[C@@H]2CCCNC2=O)CC1 ZINC001403693474 925118156 /nfs/dbraw/zinc/11/81/56/925118156.db2.gz BQQBGZBDNXRKED-QWHCGFSZSA-N 1 1 312.414 -1.327 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001403693786 925118279 /nfs/dbraw/zinc/11/82/79/925118279.db2.gz FBTRJOHAEJOHHH-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)cn2)n1 ZINC001403696631 925118370 /nfs/dbraw/zinc/11/83/70/925118370.db2.gz GPQPUODOCVRFPE-SNVBAGLBSA-N 1 1 309.305 -1.375 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001403695993 925118672 /nfs/dbraw/zinc/11/86/72/925118672.db2.gz JWAOCYMMMLCQFS-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001403695993 925118677 /nfs/dbraw/zinc/11/86/77/925118677.db2.gz JWAOCYMMMLCQFS-JTQLQIEISA-N 1 1 311.390 -1.021 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001403702191 925122322 /nfs/dbraw/zinc/12/23/22/925122322.db2.gz SRWSNDZWZPTREI-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403702191 925122327 /nfs/dbraw/zinc/12/23/27/925122327.db2.gz SRWSNDZWZPTREI-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001403702182 925122377 /nfs/dbraw/zinc/12/23/77/925122377.db2.gz SRWSNDZWZPTREI-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403702182 925122386 /nfs/dbraw/zinc/12/23/86/925122386.db2.gz SRWSNDZWZPTREI-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001403709486 925124235 /nfs/dbraw/zinc/12/42/35/925124235.db2.gz ZLGFEFCLURLDMG-WOPDTQHZSA-N 1 1 323.397 -1.112 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)[NH+](C)C ZINC001403710341 925124400 /nfs/dbraw/zinc/12/44/00/925124400.db2.gz AJYICNFGTWGHBX-WCQYABFASA-N 1 1 302.419 -1.273 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001403709485 925125086 /nfs/dbraw/zinc/12/50/86/925125086.db2.gz ZLGFEFCLURLDMG-GRYCIOLGSA-N 1 1 323.397 -1.112 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1 ZINC001403717044 925126028 /nfs/dbraw/zinc/12/60/28/925126028.db2.gz LZJQJRQDNBIYIM-NSHDSACASA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1 ZINC001403717044 925126037 /nfs/dbraw/zinc/12/60/37/925126037.db2.gz LZJQJRQDNBIYIM-NSHDSACASA-N 1 1 309.370 -1.218 20 0 DAADMO C[N@H+](CCNC(=O)CCn1cnccc1=O)CC(=O)NC(N)=O ZINC001403719939 925129344 /nfs/dbraw/zinc/12/93/44/925129344.db2.gz RAONRIUXBHZBBQ-UHFFFAOYSA-N 1 1 324.341 -2.124 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnccc1=O)CC(=O)NC(N)=O ZINC001403719939 925129349 /nfs/dbraw/zinc/12/93/49/925129349.db2.gz RAONRIUXBHZBBQ-UHFFFAOYSA-N 1 1 324.341 -2.124 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001403725946 925129949 /nfs/dbraw/zinc/12/99/49/925129949.db2.gz MZZMUSBVDSTZJZ-WDEREUQCSA-N 1 1 305.342 -1.104 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001403725193 925130021 /nfs/dbraw/zinc/13/00/21/925130021.db2.gz WAXBRDBMCCDEIF-HTQZYQBOSA-N 1 1 301.372 -1.384 20 0 DAADMO C[N@H+](CCNC(=O)CCn1cnccc1=O)[C@H]1CCNC1=O ZINC001403723952 925130420 /nfs/dbraw/zinc/13/04/20/925130420.db2.gz YIPYSFIFUXOUDT-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@H]1CCNC1=O ZINC001403723952 925130428 /nfs/dbraw/zinc/13/04/28/925130428.db2.gz YIPYSFIFUXOUDT-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O)cn1 ZINC001403728436 925132463 /nfs/dbraw/zinc/13/24/63/925132463.db2.gz ZNLSMXKTESNSRW-JOYOIKCWSA-N 1 1 309.370 -1.137 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)cn1 ZINC001403728429 925133417 /nfs/dbraw/zinc/13/34/17/925133417.db2.gz ZNLSMXKTESNSRW-BXKDBHETSA-N 1 1 309.370 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ccon2)C1 ZINC001403731264 925133451 /nfs/dbraw/zinc/13/34/51/925133451.db2.gz FNGUCASIEOXDDH-OLZOCXBDSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ccon2)C1 ZINC001403731264 925133455 /nfs/dbraw/zinc/13/34/55/925133455.db2.gz FNGUCASIEOXDDH-OLZOCXBDSA-N 1 1 312.370 -1.038 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001403740648 925134593 /nfs/dbraw/zinc/13/45/93/925134593.db2.gz HXVFYPAAVHJFFG-LLVKDONJSA-N 1 1 307.358 -1.239 20 0 DAADMO C[N@H+](CCNC(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCNC1=O ZINC001403741430 925135347 /nfs/dbraw/zinc/13/53/47/925135347.db2.gz SZUIJEPSROVHDS-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCNC1=O ZINC001403741430 925135355 /nfs/dbraw/zinc/13/53/55/925135355.db2.gz SZUIJEPSROVHDS-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403756785 925138155 /nfs/dbraw/zinc/13/81/55/925138155.db2.gz WMBKMKPJWSNZIJ-QWRGUYRKSA-N 1 1 324.385 -1.470 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403765925 925138500 /nfs/dbraw/zinc/13/85/00/925138500.db2.gz CYOJVCILKQWWAX-LLVKDONJSA-N 1 1 306.432 -1.465 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCNC(N)=O ZINC001403760025 925139220 /nfs/dbraw/zinc/13/92/20/925139220.db2.gz UOEHFZKWVOYVRE-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)c(=O)n2C)on1 ZINC001403758272 925139337 /nfs/dbraw/zinc/13/93/37/925139337.db2.gz PHLWITLTDAIORR-JTQLQIEISA-N 1 1 323.353 -1.099 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@H]1CCCOC1 ZINC001403782407 925140043 /nfs/dbraw/zinc/14/00/43/925140043.db2.gz AOIHSCDEQKDLGB-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1C(N)=O)CCn1cncn1 ZINC001403775337 925140626 /nfs/dbraw/zinc/14/06/26/925140626.db2.gz VTVHOKYYXJVACM-UHFFFAOYSA-N 1 1 318.341 -1.471 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001403768673 925141438 /nfs/dbraw/zinc/14/14/38/925141438.db2.gz IPKMUACZNGPACT-SECBINFHSA-N 1 1 314.342 -1.845 20 0 DAADMO Cc1nonc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001403811026 925142328 /nfs/dbraw/zinc/14/23/28/925142328.db2.gz UQRQRRKZQXPNRM-UHFFFAOYSA-N 1 1 305.360 -1.411 20 0 DAADMO Cc1nonc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001403811026 925142337 /nfs/dbraw/zinc/14/23/37/925142337.db2.gz UQRQRRKZQXPNRM-UHFFFAOYSA-N 1 1 305.360 -1.411 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1CCOCC1 ZINC001403815657 925142666 /nfs/dbraw/zinc/14/26/66/925142666.db2.gz BIKRQPNPGNNLMY-LLVKDONJSA-N 1 1 312.374 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001403812361 925143583 /nfs/dbraw/zinc/14/35/83/925143583.db2.gz IVFHGXAYEDSWTB-LLVKDONJSA-N 1 1 312.374 -1.798 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cccn1)c1nnnn1C ZINC001403823361 925144836 /nfs/dbraw/zinc/14/48/36/925144836.db2.gz UDVLYQDEYJQFMH-MNOVXSKESA-N 1 1 322.373 -1.423 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001403816543 925145411 /nfs/dbraw/zinc/14/54/11/925145411.db2.gz DFWKNARDZMQORM-SECBINFHSA-N 1 1 323.357 -1.084 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001403831528 925147006 /nfs/dbraw/zinc/14/70/06/925147006.db2.gz CELGGFFHXOGOAF-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001403832497 925148223 /nfs/dbraw/zinc/14/82/23/925148223.db2.gz NSEDQRKLCCFYTK-SNVBAGLBSA-N 1 1 315.399 -1.108 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1n[nH]cc1C(F)(F)F ZINC001403839439 925149235 /nfs/dbraw/zinc/14/92/35/925149235.db2.gz DGPGMLIFLGUUJK-LURJTMIESA-N 1 1 323.275 -1.064 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)Cc1ccn[nH]1 ZINC001403836623 925149519 /nfs/dbraw/zinc/14/95/19/925149519.db2.gz WMGQVVFKIKXORG-LBPRGKRZSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403835715 925150189 /nfs/dbraw/zinc/15/01/89/925150189.db2.gz FMOKYAXIOTXQSM-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001403837238 925150304 /nfs/dbraw/zinc/15/03/04/925150304.db2.gz OPVNTDWAAILYPQ-KOLCDFICSA-N 1 1 313.358 -1.107 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnc[nH]c2=O)[nH]1 ZINC001403843286 925151867 /nfs/dbraw/zinc/15/18/67/925151867.db2.gz GOSNXCUUMMKFEI-VIFPVBQESA-N 1 1 321.341 -1.169 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1CCNC1=O ZINC001403843669 925151931 /nfs/dbraw/zinc/15/19/31/925151931.db2.gz INILLEGHNNDKQY-ONGXEEELSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnc[nH]c1=O ZINC001403842750 925152080 /nfs/dbraw/zinc/15/20/80/925152080.db2.gz GAKAWGLGMWGZNW-SECBINFHSA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)nn1 ZINC001403847201 925152297 /nfs/dbraw/zinc/15/22/97/925152297.db2.gz RSWOZFSGFBPONF-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cscn1)C(=O)Cn1ncnn1 ZINC001403849295 925153823 /nfs/dbraw/zinc/15/38/23/925153823.db2.gz WHJFQZNIZNIWRO-JTQLQIEISA-N 1 1 311.371 -1.261 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)nn1 ZINC001403847203 925154447 /nfs/dbraw/zinc/15/44/47/925154447.db2.gz RSWOZFSGFBPONF-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)c1cc(=O)n(C)cn1 ZINC001403857866 925155239 /nfs/dbraw/zinc/15/52/39/925155239.db2.gz YHAIMYVIURZWIO-LLVKDONJSA-N 1 1 321.337 -1.009 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001403856234 925155905 /nfs/dbraw/zinc/15/59/05/925155905.db2.gz DKXHVGUUULOMOT-UWVGGRQHSA-N 1 1 310.358 -1.634 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)C[C@H]1CCc2ncnn21 ZINC001403855877 925156024 /nfs/dbraw/zinc/15/60/24/925156024.db2.gz YNAYIAOZQGWJHK-LLVKDONJSA-N 1 1 319.373 -1.110 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001403868534 925157184 /nfs/dbraw/zinc/15/71/84/925157184.db2.gz XLVXECCSCMCBMK-IUCAKERBSA-N 1 1 323.361 -1.580 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)N1C ZINC001403869698 925159734 /nfs/dbraw/zinc/15/97/34/925159734.db2.gz IZUNAPAIDKADDA-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)c1cn(C)c(=O)n1C ZINC001403875901 925159936 /nfs/dbraw/zinc/15/99/36/925159936.db2.gz GKVBJTAXEGMNTD-LLVKDONJSA-N 1 1 323.353 -1.066 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403877227 925160797 /nfs/dbraw/zinc/16/07/97/925160797.db2.gz HZCJOJFRQBYBMZ-UWVGGRQHSA-N 1 1 311.342 -1.434 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccn(C)n1 ZINC001403869549 925160949 /nfs/dbraw/zinc/16/09/49/925160949.db2.gz CMFFTYOAKKYVLT-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1c[nH]nn1 ZINC001403873348 925160990 /nfs/dbraw/zinc/16/09/90/925160990.db2.gz YDDPYHRLDSYNEM-GFCCVEGCSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1cnn[nH]1 ZINC001403873348 925160997 /nfs/dbraw/zinc/16/09/97/925160997.db2.gz YDDPYHRLDSYNEM-GFCCVEGCSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1n[nH]cc1F ZINC001403875729 925161149 /nfs/dbraw/zinc/16/11/49/925161149.db2.gz OYSXGFKEIGIZGY-MRVPVSSYSA-N 1 1 311.321 -1.100 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2C)[nH]1 ZINC001403882006 925162591 /nfs/dbraw/zinc/16/25/91/925162591.db2.gz UPAVPBJVHXFIEQ-WDEREUQCSA-N 1 1 324.385 -1.357 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001403881948 925162661 /nfs/dbraw/zinc/16/26/61/925162661.db2.gz YRGMOGDUGQJROL-HTQZYQBOSA-N 1 1 324.328 -1.153 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@H]1CCC(=O)N1 ZINC001403879466 925162683 /nfs/dbraw/zinc/16/26/83/925162683.db2.gz RWZNCMUOMUAFPD-MNOVXSKESA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)nc1 ZINC001403881263 925162897 /nfs/dbraw/zinc/16/28/97/925162897.db2.gz TVEBANJCRZSSGK-QWRGUYRKSA-N 1 1 322.369 -1.625 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403883466 925162960 /nfs/dbraw/zinc/16/29/60/925162960.db2.gz NFQQKOLIKDXAQG-UWVGGRQHSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001403889718 925163904 /nfs/dbraw/zinc/16/39/04/925163904.db2.gz FETWESQJLWBQMP-NSHDSACASA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001403889718 925163911 /nfs/dbraw/zinc/16/39/11/925163911.db2.gz FETWESQJLWBQMP-NSHDSACASA-N 1 1 322.427 -1.303 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001403891237 925164789 /nfs/dbraw/zinc/16/47/89/925164789.db2.gz COXZKWSWDXENFR-ZJUUUORDSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891265 925164992 /nfs/dbraw/zinc/16/49/92/925164992.db2.gz BVBXGMDQQDTCGQ-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403884195 925165259 /nfs/dbraw/zinc/16/52/59/925165259.db2.gz CTNPVQHROVDUGS-NSHDSACASA-N 1 1 302.375 -2.038 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403884195 925165262 /nfs/dbraw/zinc/16/52/62/925165262.db2.gz CTNPVQHROVDUGS-NSHDSACASA-N 1 1 302.375 -2.038 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001403892503 925166432 /nfs/dbraw/zinc/16/64/32/925166432.db2.gz DAEXPMHGLAYHSM-VHSXEESVSA-N 1 1 318.349 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403892548 925166502 /nfs/dbraw/zinc/16/65/02/925166502.db2.gz DUNGVAAUBOHWKG-UPJWGTAASA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403892548 925166507 /nfs/dbraw/zinc/16/65/07/925166507.db2.gz DUNGVAAUBOHWKG-UPJWGTAASA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cn[nH]n1 ZINC001403897062 925166703 /nfs/dbraw/zinc/16/67/03/925166703.db2.gz IAWUJEZSWNBKHL-JTQLQIEISA-N 1 1 310.358 -1.598 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cn[nH]n1 ZINC001403897062 925166714 /nfs/dbraw/zinc/16/67/14/925166714.db2.gz IAWUJEZSWNBKHL-JTQLQIEISA-N 1 1 310.358 -1.598 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001403898853 925166753 /nfs/dbraw/zinc/16/67/53/925166753.db2.gz LACVABRPRSMTFL-GFCCVEGCSA-N 1 1 316.402 -1.201 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1nnc[nH]1 ZINC001403892730 925167041 /nfs/dbraw/zinc/16/70/41/925167041.db2.gz IYICEZGHJMXZGE-MNOVXSKESA-N 1 1 324.385 -1.671 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403896677 925168086 /nfs/dbraw/zinc/16/80/86/925168086.db2.gz CONRANIQXOGEKW-UWVGGRQHSA-N 1 1 317.390 -2.118 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403896677 925168088 /nfs/dbraw/zinc/16/80/88/925168088.db2.gz CONRANIQXOGEKW-UWVGGRQHSA-N 1 1 317.390 -2.118 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403895034 925168215 /nfs/dbraw/zinc/16/82/15/925168215.db2.gz WQYJIAPEBJITDL-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403895034 925168223 /nfs/dbraw/zinc/16/82/23/925168223.db2.gz WQYJIAPEBJITDL-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904341 925169733 /nfs/dbraw/zinc/16/97/33/925169733.db2.gz LTKBOYDDVSLKBZ-GHMZBOCLSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904341 925169736 /nfs/dbraw/zinc/16/97/36/925169736.db2.gz LTKBOYDDVSLKBZ-GHMZBOCLSA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001403900293 925170175 /nfs/dbraw/zinc/17/01/75/925170175.db2.gz HHNBQFSFHNUCLE-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)CC(N)=O)CC(=O)NC(=O)NC ZINC001403902294 925170241 /nfs/dbraw/zinc/17/02/41/925170241.db2.gz UNRUBVJQRNEBHD-SECBINFHSA-N 1 1 315.374 -1.608 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)CC(N)=O)CC(=O)NC(=O)NC ZINC001403902294 925170245 /nfs/dbraw/zinc/17/02/45/925170245.db2.gz UNRUBVJQRNEBHD-SECBINFHSA-N 1 1 315.374 -1.608 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1ncnn1 ZINC001403907945 925170526 /nfs/dbraw/zinc/17/05/26/925170526.db2.gz YCZPRGNTEOVRAG-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1nnn(C(C)(C)C)n1 ZINC001403907714 925170668 /nfs/dbraw/zinc/17/06/68/925170668.db2.gz XSPOBKYDEZOXPP-JTQLQIEISA-N 1 1 314.390 -1.215 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001403906345 925170922 /nfs/dbraw/zinc/17/09/22/925170922.db2.gz MOEFOBJAJJUGOU-QWRGUYRKSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001403906345 925170931 /nfs/dbraw/zinc/17/09/31/925170931.db2.gz MOEFOBJAJJUGOU-QWRGUYRKSA-N 1 1 311.386 -1.114 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccnc2[nH]cnc21 ZINC001403908044 925171169 /nfs/dbraw/zinc/17/11/69/925171169.db2.gz YXNZSNVVYWCAJB-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccnc2[nH]cnc21 ZINC001403908044 925171176 /nfs/dbraw/zinc/17/11/76/925171176.db2.gz YXNZSNVVYWCAJB-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCCNC1=O ZINC001403902053 925171290 /nfs/dbraw/zinc/17/12/90/925171290.db2.gz SSRAAQOUPGBOGJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403905636 925171312 /nfs/dbraw/zinc/17/13/12/925171312.db2.gz KDFDUYGNSTYJEP-SNVBAGLBSA-N 1 1 309.374 -1.451 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)CC(N)=O ZINC001403905636 925171316 /nfs/dbraw/zinc/17/13/16/925171316.db2.gz KDFDUYGNSTYJEP-SNVBAGLBSA-N 1 1 309.374 -1.451 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001403908849 925171327 /nfs/dbraw/zinc/17/13/27/925171327.db2.gz ZMHGYYBIHMNFTE-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001403908849 925171331 /nfs/dbraw/zinc/17/13/31/925171331.db2.gz ZMHGYYBIHMNFTE-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)n1C ZINC001403908375 925171345 /nfs/dbraw/zinc/17/13/45/925171345.db2.gz DCFAYYTVXOXHRY-JTQLQIEISA-N 1 1 300.359 -1.919 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403906336 925171442 /nfs/dbraw/zinc/17/14/42/925171442.db2.gz MOEFOBJAJJUGOU-GHMZBOCLSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403906336 925171446 /nfs/dbraw/zinc/17/14/46/925171446.db2.gz MOEFOBJAJJUGOU-GHMZBOCLSA-N 1 1 311.386 -1.114 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001403922872 925172029 /nfs/dbraw/zinc/17/20/29/925172029.db2.gz FUUQBMWVHLXLFY-UHFFFAOYSA-N 1 1 312.370 -1.482 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1nnc[nH]1 ZINC001403922532 925172272 /nfs/dbraw/zinc/17/22/72/925172272.db2.gz YKXVBTNSIITDEL-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)C(C)C)C(N)=O ZINC001403928111 925172516 /nfs/dbraw/zinc/17/25/16/925172516.db2.gz UYDXQALVKOJDMO-RYUDHWBXSA-N 1 1 316.402 -1.474 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001403921482 925172810 /nfs/dbraw/zinc/17/28/10/925172810.db2.gz WKAVQIJLTDAQCR-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001403921482 925172815 /nfs/dbraw/zinc/17/28/15/925172815.db2.gz WKAVQIJLTDAQCR-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001403915613 925173029 /nfs/dbraw/zinc/17/30/29/925173029.db2.gz RJRFTIWSTKNEKM-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001403915613 925173036 /nfs/dbraw/zinc/17/30/36/925173036.db2.gz RJRFTIWSTKNEKM-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCNC(=O)C1 ZINC001403913025 925173110 /nfs/dbraw/zinc/17/31/10/925173110.db2.gz QAPCWLUWMZRLKA-RYUDHWBXSA-N 1 1 301.387 -1.354 20 0 DAADMO CC(=O)N1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC1 ZINC001403923732 925173250 /nfs/dbraw/zinc/17/32/50/925173250.db2.gz XPZWEVXTVWFDTH-AWEZNQCLSA-N 1 1 315.414 -1.012 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001403923289 925173417 /nfs/dbraw/zinc/17/34/17/925173417.db2.gz ZBLMUHRRWHYQQA-VHSXEESVSA-N 1 1 311.404 -2.333 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)S(C)(=O)=O ZINC001403916227 925173497 /nfs/dbraw/zinc/17/34/97/925173497.db2.gz WMDFNIWXIHTFPS-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)S(C)(=O)=O ZINC001403916227 925173501 /nfs/dbraw/zinc/17/35/01/925173501.db2.gz WMDFNIWXIHTFPS-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915522 925173536 /nfs/dbraw/zinc/17/35/36/925173536.db2.gz HSHRTNWLGRTTSV-ZYHUDNBSSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915522 925173538 /nfs/dbraw/zinc/17/35/38/925173538.db2.gz HSHRTNWLGRTTSV-ZYHUDNBSSA-N 1 1 311.386 -1.162 20 0 DAADMO CC[N@H+](CCNC(=O)c1nc2ncccn2n1)CC(=O)NC ZINC001403912236 925173603 /nfs/dbraw/zinc/17/36/03/925173603.db2.gz FTQHUUPHQMJUAP-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nc2ncccn2n1)CC(=O)NC ZINC001403912236 925173612 /nfs/dbraw/zinc/17/36/12/925173612.db2.gz FTQHUUPHQMJUAP-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)COCc1nncn1C)[C@@H]1CCNC1=O ZINC001403928366 925173672 /nfs/dbraw/zinc/17/36/72/925173672.db2.gz DTKRPXNWDNGSAR-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001403919914 925173717 /nfs/dbraw/zinc/17/37/17/925173717.db2.gz UHAIPXMTCKCUPF-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001403919914 925173722 /nfs/dbraw/zinc/17/37/22/925173722.db2.gz UHAIPXMTCKCUPF-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001403932405 925174836 /nfs/dbraw/zinc/17/48/36/925174836.db2.gz QPWRMEYCYDMCOO-UHFFFAOYSA-N 1 1 312.374 -1.462 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001403966787 925175338 /nfs/dbraw/zinc/17/53/38/925175338.db2.gz CNLOSXHAWCMHOX-AWEZNQCLSA-N 1 1 301.387 -1.040 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](CCOC)[C@H]1CCNC1=O ZINC001403979150 925175837 /nfs/dbraw/zinc/17/58/37/925175837.db2.gz UCPKKALTSVOJKN-JTQLQIEISA-N 1 1 315.374 -2.132 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](CCOC)[C@H]1CCNC1=O ZINC001403979150 925175844 /nfs/dbraw/zinc/17/58/44/925175844.db2.gz UCPKKALTSVOJKN-JTQLQIEISA-N 1 1 315.374 -2.132 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@H]1CCNC1=O ZINC001403953997 925176139 /nfs/dbraw/zinc/17/61/39/925176139.db2.gz GLVDXARMOYKMRX-HUBLWGQQSA-N 1 1 311.382 -1.024 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)[C@H]1CCNC1=O ZINC001403953997 925176146 /nfs/dbraw/zinc/17/61/46/925176146.db2.gz GLVDXARMOYKMRX-HUBLWGQQSA-N 1 1 311.382 -1.024 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001403991917 925177356 /nfs/dbraw/zinc/17/73/56/925177356.db2.gz VQIKFDZPFXANMG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001403991917 925177360 /nfs/dbraw/zinc/17/73/60/925177360.db2.gz VQIKFDZPFXANMG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001403980345 925177557 /nfs/dbraw/zinc/17/75/57/925177557.db2.gz ZKKIPPOAEXEHOE-SECBINFHSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001403980345 925177561 /nfs/dbraw/zinc/17/75/61/925177561.db2.gz ZKKIPPOAEXEHOE-SECBINFHSA-N 1 1 324.345 -2.291 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1)C1CC1 ZINC001403985819 925178087 /nfs/dbraw/zinc/17/80/87/925178087.db2.gz PFDBSNFLSDRAQA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1)C1CC1 ZINC001403985819 925178098 /nfs/dbraw/zinc/17/80/98/925178098.db2.gz PFDBSNFLSDRAQA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001404007231 925178318 /nfs/dbraw/zinc/17/83/18/925178318.db2.gz RGHNQOSQCZIQIT-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001404035496 925179432 /nfs/dbraw/zinc/17/94/32/925179432.db2.gz WNACQIXCWGBLHW-DCAQKATOSA-N 1 1 314.386 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001404035496 925179433 /nfs/dbraw/zinc/17/94/33/925179433.db2.gz WNACQIXCWGBLHW-DCAQKATOSA-N 1 1 314.386 -1.151 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)COC)C1 ZINC001404030052 925179734 /nfs/dbraw/zinc/17/97/34/925179734.db2.gz RRDWGAAUCQFONA-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001404047480 925180060 /nfs/dbraw/zinc/18/00/60/925180060.db2.gz XBZUNZRRRKYOFW-NSHDSACASA-N 1 1 322.373 -1.864 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041505 925180199 /nfs/dbraw/zinc/18/01/99/925180199.db2.gz PCQBLVRBUDYNEN-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041505 925180208 /nfs/dbraw/zinc/18/02/08/925180208.db2.gz PCQBLVRBUDYNEN-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001404105309 925181722 /nfs/dbraw/zinc/18/17/22/925181722.db2.gz RBMJHLJZAKQYTG-NSHDSACASA-N 1 1 322.369 -1.223 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404077718 925182546 /nfs/dbraw/zinc/18/25/46/925182546.db2.gz KFIOVXIAQIAMSQ-QWRGUYRKSA-N 1 1 322.431 -1.799 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404077720 925182865 /nfs/dbraw/zinc/18/28/65/925182865.db2.gz KFIOVXIAQIAMSQ-WDEREUQCSA-N 1 1 322.431 -1.799 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001404103419 925183175 /nfs/dbraw/zinc/18/31/75/925183175.db2.gz KBJGBJDPNAGTTM-BDAKNGLRSA-N 1 1 306.388 -2.153 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@@H](C)O ZINC001404168179 925184277 /nfs/dbraw/zinc/18/42/77/925184277.db2.gz BLVLMQBSRDYNKT-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2cn[nH]c2)C1 ZINC001404179053 925184532 /nfs/dbraw/zinc/18/45/32/925184532.db2.gz CXHRHDWUOCGLTM-NSHDSACASA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001404181098 925185067 /nfs/dbraw/zinc/18/50/67/925185067.db2.gz VQKLFGXZGIRGJU-JTQLQIEISA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001404181098 925185072 /nfs/dbraw/zinc/18/50/72/925185072.db2.gz VQKLFGXZGIRGJU-JTQLQIEISA-N 1 1 321.385 -1.079 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001404261906 925185921 /nfs/dbraw/zinc/18/59/21/925185921.db2.gz RZASXSIWLNTASD-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001404261906 925185927 /nfs/dbraw/zinc/18/59/27/925185927.db2.gz RZASXSIWLNTASD-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001404217129 925186860 /nfs/dbraw/zinc/18/68/60/925186860.db2.gz GOCKQXAQQGYADN-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001404217129 925186866 /nfs/dbraw/zinc/18/68/66/925186866.db2.gz GOCKQXAQQGYADN-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001404240301 925186972 /nfs/dbraw/zinc/18/69/72/925186972.db2.gz MOZWWQDHZDTTBS-LBPRGKRZSA-N 1 1 307.354 -1.062 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001404253356 925187184 /nfs/dbraw/zinc/18/71/84/925187184.db2.gz NHFAWUXXKGKKAO-SECBINFHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001404253356 925187187 /nfs/dbraw/zinc/18/71/87/925187187.db2.gz NHFAWUXXKGKKAO-SECBINFHSA-N 1 1 310.358 -1.964 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001404249132 925187230 /nfs/dbraw/zinc/18/72/30/925187230.db2.gz UBJGJCJWISYGJT-UHFFFAOYSA-N 1 1 323.353 -1.725 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001404249132 925187236 /nfs/dbraw/zinc/18/72/36/925187236.db2.gz UBJGJCJWISYGJT-UHFFFAOYSA-N 1 1 323.353 -1.725 20 0 DAADMO NC(=O)C[NH2+][C@@H](CNC(=O)Cn1cnnn1)c1ccccc1 ZINC001404368371 925193895 /nfs/dbraw/zinc/19/38/95/925193895.db2.gz DPNYNBMRZPTCCD-NSHDSACASA-N 1 1 303.326 -1.395 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CCn1cnnn1 ZINC001404354369 925194153 /nfs/dbraw/zinc/19/41/53/925194153.db2.gz VFBPNKHFIXMFKA-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001404482742 925198843 /nfs/dbraw/zinc/19/88/43/925198843.db2.gz NRIBPUNVSPAAAS-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2cnon2)C1 ZINC001404523820 925202278 /nfs/dbraw/zinc/20/22/78/925202278.db2.gz UCWUPCPHGXXWFH-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001404525359 925202563 /nfs/dbraw/zinc/20/25/63/925202563.db2.gz OELASWNCUHZGDF-WDEREUQCSA-N 1 1 322.431 -1.751 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404551678 925204919 /nfs/dbraw/zinc/20/49/19/925204919.db2.gz QXMJBLUGJPRBJK-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404625897 925205367 /nfs/dbraw/zinc/20/53/67/925205367.db2.gz OPERGXOURHYBMV-WDEREUQCSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404625887 925206427 /nfs/dbraw/zinc/20/64/27/925206427.db2.gz OPERGXOURHYBMV-GHMZBOCLSA-N 1 1 321.385 -1.412 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001404760297 925213464 /nfs/dbraw/zinc/21/34/64/925213464.db2.gz QONWRABDSKPNNL-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001404760297 925213472 /nfs/dbraw/zinc/21/34/72/925213472.db2.gz QONWRABDSKPNNL-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 ZINC001404850448 925220657 /nfs/dbraw/zinc/22/06/57/925220657.db2.gz BIMXRVUGGNAHJX-GMTAPVOTSA-N 1 1 311.386 -1.240 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CCn3cncn3)C2)C1=O ZINC001404847613 925221083 /nfs/dbraw/zinc/22/10/83/925221083.db2.gz BNHKMKJDCKXONT-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001404898492 925222374 /nfs/dbraw/zinc/22/23/74/925222374.db2.gz KWXRJBIOSBFLQK-NSCUHMNNSA-N 1 1 310.807 -1.159 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)N1C ZINC001404972976 925227107 /nfs/dbraw/zinc/22/71/07/925227107.db2.gz WMGIXCPATGPSEI-ZDEQEGDKSA-N 1 1 311.382 -1.100 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001404960856 925227791 /nfs/dbraw/zinc/22/77/91/925227791.db2.gz VGZYQPAPBXWOAH-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001404960856 925227800 /nfs/dbraw/zinc/22/78/00/925227800.db2.gz VGZYQPAPBXWOAH-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001404980030 925228949 /nfs/dbraw/zinc/22/89/49/925228949.db2.gz OXCZZMLJWRHMKR-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001404980030 925228959 /nfs/dbraw/zinc/22/89/59/925228959.db2.gz OXCZZMLJWRHMKR-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)C1=O ZINC001404988006 925229885 /nfs/dbraw/zinc/22/98/85/925229885.db2.gz XRARXXSLAQGUOM-GARJFASQSA-N 1 1 309.370 -1.439 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001405007526 925230278 /nfs/dbraw/zinc/23/02/78/925230278.db2.gz GHWFUQTYPULETR-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405009267 925230512 /nfs/dbraw/zinc/23/05/12/925230512.db2.gz ODPKJKKOSVCDDO-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405009267 925230520 /nfs/dbraw/zinc/23/05/20/925230520.db2.gz ODPKJKKOSVCDDO-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001405007529 925231736 /nfs/dbraw/zinc/23/17/36/925231736.db2.gz GHWFUQTYPULETR-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001405049414 925235428 /nfs/dbraw/zinc/23/54/28/925235428.db2.gz KVNYBSWQGJDGER-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001405056209 925235505 /nfs/dbraw/zinc/23/55/05/925235505.db2.gz PRKGJXQASRSUQW-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126605 925241474 /nfs/dbraw/zinc/24/14/74/925241474.db2.gz LDRFXXNAXXNSMZ-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126605 925241485 /nfs/dbraw/zinc/24/14/85/925241485.db2.gz LDRFXXNAXXNSMZ-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001405124346 925242043 /nfs/dbraw/zinc/24/20/43/925242043.db2.gz KJWDYOPTSKYGQS-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001405124346 925242050 /nfs/dbraw/zinc/24/20/50/925242050.db2.gz KJWDYOPTSKYGQS-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159897 925242783 /nfs/dbraw/zinc/24/27/83/925242783.db2.gz ULJCEYBKXATQOQ-BDAKNGLRSA-N 1 1 323.357 -1.537 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159897 925242791 /nfs/dbraw/zinc/24/27/91/925242791.db2.gz ULJCEYBKXATQOQ-BDAKNGLRSA-N 1 1 323.357 -1.537 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001405168864 925243591 /nfs/dbraw/zinc/24/35/91/925243591.db2.gz HHVDEKPLVYXUQK-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001405168864 925243599 /nfs/dbraw/zinc/24/35/99/925243599.db2.gz HHVDEKPLVYXUQK-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001405150061 925243843 /nfs/dbraw/zinc/24/38/43/925243843.db2.gz NCQPANYIHKWMOC-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405168447 925244631 /nfs/dbraw/zinc/24/46/31/925244631.db2.gz LDZRHYFPQSIWSY-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405168447 925244637 /nfs/dbraw/zinc/24/46/37/925244637.db2.gz LDZRHYFPQSIWSY-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001405207536 925250157 /nfs/dbraw/zinc/25/01/57/925250157.db2.gz GUPTWHJTAYNREM-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405207023 925250502 /nfs/dbraw/zinc/25/05/02/925250502.db2.gz BNEKFTKTPJGENF-YPMHNXCESA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405207023 925250508 /nfs/dbraw/zinc/25/05/08/925250508.db2.gz BNEKFTKTPJGENF-YPMHNXCESA-N 1 1 324.381 -1.058 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001405207554 925250576 /nfs/dbraw/zinc/25/05/76/925250576.db2.gz GUPTWHJTAYNREM-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405210892 925251598 /nfs/dbraw/zinc/25/15/98/925251598.db2.gz UPPFCIRSYYKEFY-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214585 925253044 /nfs/dbraw/zinc/25/30/44/925253044.db2.gz DOWZTOLIUWOULK-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214585 925253053 /nfs/dbraw/zinc/25/30/53/925253053.db2.gz DOWZTOLIUWOULK-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nnc[nH]1 ZINC001405221614 925254882 /nfs/dbraw/zinc/25/48/82/925254882.db2.gz GQKRHPNDRKNFNU-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221614 925254889 /nfs/dbraw/zinc/25/48/89/925254889.db2.gz GQKRHPNDRKNFNU-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCc1nc[nH]n1 ZINC001405221614 925254896 /nfs/dbraw/zinc/25/48/96/925254896.db2.gz GQKRHPNDRKNFNU-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001405220899 925255164 /nfs/dbraw/zinc/25/51/64/925255164.db2.gz JCMMRKPLOBGDKA-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001405220353 925255189 /nfs/dbraw/zinc/25/51/89/925255189.db2.gz OMRWJTUWELSWCR-LBPRGKRZSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405222679 925256276 /nfs/dbraw/zinc/25/62/76/925256276.db2.gz ZXDAWKVCZHETLR-WDEREUQCSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405222679 925256283 /nfs/dbraw/zinc/25/62/83/925256283.db2.gz ZXDAWKVCZHETLR-WDEREUQCSA-N 1 1 316.358 -2.954 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405224120 925256459 /nfs/dbraw/zinc/25/64/59/925256459.db2.gz LBMXKBYODDUTNK-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001405224972 925256800 /nfs/dbraw/zinc/25/68/00/925256800.db2.gz MBSSAJAHUCWIMO-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001405225313 925257982 /nfs/dbraw/zinc/25/79/82/925257982.db2.gz VYDDBBSOWUKXOS-CMPLNLGQSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405237512 925262130 /nfs/dbraw/zinc/26/21/30/925262130.db2.gz JOPGYALYDPNEGD-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405237512 925262143 /nfs/dbraw/zinc/26/21/43/925262143.db2.gz JOPGYALYDPNEGD-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccncn1 ZINC001405236953 925262267 /nfs/dbraw/zinc/26/22/67/925262267.db2.gz XCDIKRQSIFWYEM-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405237505 925262625 /nfs/dbraw/zinc/26/26/25/925262625.db2.gz JOPGYALYDPNEGD-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405237505 925262630 /nfs/dbraw/zinc/26/26/30/925262630.db2.gz JOPGYALYDPNEGD-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cnsn1 ZINC001405238972 925263848 /nfs/dbraw/zinc/26/38/48/925263848.db2.gz SMWFYBRESRESFI-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405240700 925264864 /nfs/dbraw/zinc/26/48/64/925264864.db2.gz NGQPHSVHYPRVDH-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405240700 925264871 /nfs/dbraw/zinc/26/48/71/925264871.db2.gz NGQPHSVHYPRVDH-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001405249210 925268544 /nfs/dbraw/zinc/26/85/44/925268544.db2.gz FHEPUJUJRJJXNU-WDEREUQCSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001405254488 925269882 /nfs/dbraw/zinc/26/98/82/925269882.db2.gz VYPVBCCKFCJVBV-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001405270439 925275291 /nfs/dbraw/zinc/27/52/91/925275291.db2.gz JEGFVOMMEUHLCT-ONGXEEELSA-N 1 1 309.374 -1.177 20 0 DAADMO C[NH+]1CCC(CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001405274348 925276409 /nfs/dbraw/zinc/27/64/09/925276409.db2.gz UXIKTXCLSQPGGP-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnc[nH]c2=O)C1 ZINC001405286569 925278230 /nfs/dbraw/zinc/27/82/30/925278230.db2.gz PYTDILXHFDMSSS-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO Cn1nccc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405285547 925278309 /nfs/dbraw/zinc/27/83/09/925278309.db2.gz OOKORKSWZOSLFQ-NEPJUHHUSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001405284171 925278508 /nfs/dbraw/zinc/27/85/08/925278508.db2.gz NCVJDFGIDHSOOL-BDAKNGLRSA-N 1 1 301.347 -2.800 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](CO)NC(=O)c1ncn[nH]1 ZINC001405309628 925284308 /nfs/dbraw/zinc/28/43/08/925284308.db2.gz POJLLAOPPUQWMD-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](CO)NC(=O)c1nc[nH]n1 ZINC001405309628 925284314 /nfs/dbraw/zinc/28/43/14/925284314.db2.gz POJLLAOPPUQWMD-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)n1 ZINC001405311376 925284644 /nfs/dbraw/zinc/28/46/44/925284644.db2.gz ARFBMHXKECACBM-VIFPVBQESA-N 1 1 322.329 -2.378 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405319138 925285795 /nfs/dbraw/zinc/28/57/95/925285795.db2.gz LVCWDAXNCVIROI-VXGBXAGGSA-N 1 1 310.354 -1.179 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001405318456 925286545 /nfs/dbraw/zinc/28/65/45/925286545.db2.gz CDBJBCNQBQOLPM-CMPLNLGQSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001405317409 925286597 /nfs/dbraw/zinc/28/65/97/925286597.db2.gz JSAVKXBSQKJLMW-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001405320662 925286616 /nfs/dbraw/zinc/28/66/16/925286616.db2.gz ACAGTHYKTNESAV-IJLUTSLNSA-N 1 1 301.387 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001405319570 925287265 /nfs/dbraw/zinc/28/72/65/925287265.db2.gz CDBJBCNQBQOLPM-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001405320129 925287365 /nfs/dbraw/zinc/28/73/65/925287365.db2.gz FJRYNIROGVBYOP-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320129 925287374 /nfs/dbraw/zinc/28/73/74/925287374.db2.gz FJRYNIROGVBYOP-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320129 925287379 /nfs/dbraw/zinc/28/73/79/925287379.db2.gz FJRYNIROGVBYOP-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001405341093 925291920 /nfs/dbraw/zinc/29/19/20/925291920.db2.gz QHUFXOHYXMLRAS-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001405341101 925292487 /nfs/dbraw/zinc/29/24/87/925292487.db2.gz QHUFXOHYXMLRAS-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001405340091 925292531 /nfs/dbraw/zinc/29/25/31/925292531.db2.gz GCCFFNOCJZNSDF-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ccn(C)n1 ZINC001405344860 925293256 /nfs/dbraw/zinc/29/32/56/925293256.db2.gz NNHAIRJAGFENRG-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001405349020 925293379 /nfs/dbraw/zinc/29/33/79/925293379.db2.gz RRGWGRLNQHTZTD-HUBLWGQQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCn2ccnc2)C1 ZINC001405344236 925294155 /nfs/dbraw/zinc/29/41/55/925294155.db2.gz MIPUYRLCWNLVFU-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCn2ccnc2)C1 ZINC001405344225 925294288 /nfs/dbraw/zinc/29/42/88/925294288.db2.gz MIPUYRLCWNLVFU-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO O=C(CN1CCCC1)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405345652 925294369 /nfs/dbraw/zinc/29/43/69/925294369.db2.gz UDHILMPERZVBRV-CYBMUJFWSA-N 1 1 324.425 -1.229 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405352767 925295704 /nfs/dbraw/zinc/29/57/04/925295704.db2.gz VOLPCSXXQGMHDW-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]n2)C1 ZINC001405352438 925295814 /nfs/dbraw/zinc/29/58/14/925295814.db2.gz ZZIFYIGBFPUEQB-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352438 925295821 /nfs/dbraw/zinc/29/58/21/925295821.db2.gz ZZIFYIGBFPUEQB-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352438 925295827 /nfs/dbraw/zinc/29/58/27/925295827.db2.gz ZZIFYIGBFPUEQB-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001405362091 925297447 /nfs/dbraw/zinc/29/74/47/925297447.db2.gz XKKRBAAGWFJMIX-GHMZBOCLSA-N 1 1 324.385 -1.338 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cccnn1 ZINC001405366956 925298310 /nfs/dbraw/zinc/29/83/10/925298310.db2.gz WINGEOPWMQQYCC-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001405386668 925304205 /nfs/dbraw/zinc/30/42/05/925304205.db2.gz HGRPTJXBRDZEBZ-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001405392892 925305374 /nfs/dbraw/zinc/30/53/74/925305374.db2.gz JKOXYQUZSDFMKP-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001405392879 925305464 /nfs/dbraw/zinc/30/54/64/925305464.db2.gz JKOXYQUZSDFMKP-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001405399212 925305604 /nfs/dbraw/zinc/30/56/04/925305604.db2.gz SMIVOPGEZZSTFM-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001405399204 925305908 /nfs/dbraw/zinc/30/59/08/925305908.db2.gz SMIVOPGEZZSTFM-PWSUYJOCSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399254 925306284 /nfs/dbraw/zinc/30/62/84/925306284.db2.gz XRPAOEFFVLNKBG-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399254 925306296 /nfs/dbraw/zinc/30/62/96/925306296.db2.gz XRPAOEFFVLNKBG-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001405399740 925306929 /nfs/dbraw/zinc/30/69/29/925306929.db2.gz POTPHSRPBBOYGP-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001405399295 925307443 /nfs/dbraw/zinc/30/74/43/925307443.db2.gz UZMJXQNXXPQGDG-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001405463109 925310963 /nfs/dbraw/zinc/31/09/63/925310963.db2.gz IYCZIXXKFAJOJV-ISTVAULSSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)Cn1cncn1)C1CC1 ZINC001405478936 925311397 /nfs/dbraw/zinc/31/13/97/925311397.db2.gz UHCNCCNIJBTVSR-ZDUSSCGKSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C[C@H](O)CNC(=O)CNC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405598627 925319661 /nfs/dbraw/zinc/31/96/61/925319661.db2.gz KGBZUXSUPOEPCZ-VHSXEESVSA-N 1 1 315.374 -2.458 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608093 925321971 /nfs/dbraw/zinc/32/19/71/925321971.db2.gz WETUPYWEKAUOPK-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405608093 925321976 /nfs/dbraw/zinc/32/19/76/925321976.db2.gz WETUPYWEKAUOPK-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608093 925321988 /nfs/dbraw/zinc/32/19/88/925321988.db2.gz WETUPYWEKAUOPK-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405608093 925321999 /nfs/dbraw/zinc/32/19/99/925321999.db2.gz WETUPYWEKAUOPK-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608093 925322010 /nfs/dbraw/zinc/32/20/10/925322010.db2.gz WETUPYWEKAUOPK-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405636825 925325923 /nfs/dbraw/zinc/32/59/23/925325923.db2.gz SATKBCVESWBGFJ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001405636825 925325929 /nfs/dbraw/zinc/32/59/29/925325929.db2.gz SATKBCVESWBGFJ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405636825 925325937 /nfs/dbraw/zinc/32/59/37/925325937.db2.gz SATKBCVESWBGFJ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnon1 ZINC001405637923 925326657 /nfs/dbraw/zinc/32/66/57/925326657.db2.gz GWMUAGOBZJCWIT-MWLCHTKSSA-N 1 1 311.342 -1.287 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001405662606 925329027 /nfs/dbraw/zinc/32/90/27/925329027.db2.gz FRFQXOUEXOXSPS-VHSXEESVSA-N 1 1 309.374 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001405736425 925333972 /nfs/dbraw/zinc/33/39/72/925333972.db2.gz JOEOFLDILBSKDW-QMMMGPOBSA-N 1 1 321.428 -1.071 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001405751889 925334964 /nfs/dbraw/zinc/33/49/64/925334964.db2.gz BSTFNCFDQQULFX-VIFPVBQESA-N 1 1 323.357 -1.163 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCOCC2=O)[nH]1 ZINC001405818496 925336842 /nfs/dbraw/zinc/33/68/42/925336842.db2.gz BGYNDXXLQRQQGY-JTQLQIEISA-N 1 1 324.385 -1.092 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001405846225 925337705 /nfs/dbraw/zinc/33/77/05/925337705.db2.gz IYPMGILNLLXBHX-MRVPVSSYSA-N 1 1 320.375 -1.940 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001405830377 925337772 /nfs/dbraw/zinc/33/77/72/925337772.db2.gz URTJEOVSGADPAM-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001405874877 925338894 /nfs/dbraw/zinc/33/88/94/925338894.db2.gz SIRBJJPKOADIIW-VHSXEESVSA-N 1 1 309.374 -1.084 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)CNC(N)=O)C2 ZINC001405993693 925340966 /nfs/dbraw/zinc/34/09/66/925340966.db2.gz IOIMOEXBJXMKDP-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001406049648 925342495 /nfs/dbraw/zinc/34/24/95/925342495.db2.gz QRVPYEXYYLNCCH-VIFPVBQESA-N 1 1 312.378 -1.631 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C ZINC001406031157 925343239 /nfs/dbraw/zinc/34/32/39/925343239.db2.gz HAPUIKMJXOOULT-RKDXNWHRSA-N 1 1 310.362 -1.878 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C ZINC001406031154 925343701 /nfs/dbraw/zinc/34/37/01/925343701.db2.gz HAPUIKMJXOOULT-IUCAKERBSA-N 1 1 310.362 -1.878 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001406047300 925344106 /nfs/dbraw/zinc/34/41/06/925344106.db2.gz UXHKYRCMTRRWPD-QWRGUYRKSA-N 1 1 323.401 -1.033 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001406097600 925344709 /nfs/dbraw/zinc/34/47/09/925344709.db2.gz PUIJYHKDNKKGHZ-JGVFFNPUSA-N 1 1 315.330 -1.932 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001406097600 925344716 /nfs/dbraw/zinc/34/47/16/925344716.db2.gz PUIJYHKDNKKGHZ-JGVFFNPUSA-N 1 1 315.330 -1.932 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001406097598 925344818 /nfs/dbraw/zinc/34/48/18/925344818.db2.gz PUIJYHKDNKKGHZ-HTQZYQBOSA-N 1 1 315.330 -1.932 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001406097598 925344821 /nfs/dbraw/zinc/34/48/21/925344821.db2.gz PUIJYHKDNKKGHZ-HTQZYQBOSA-N 1 1 315.330 -1.932 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CCNC(=O)C1CC1 ZINC001406102441 925345057 /nfs/dbraw/zinc/34/50/57/925345057.db2.gz OZTQEKMGCVVJII-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)CNC(=O)NC)C1=O ZINC001406104081 925345247 /nfs/dbraw/zinc/34/52/47/925345247.db2.gz VGUZQFSXGVCYQZ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)CNC(=O)NC)C1=O ZINC001406104081 925345257 /nfs/dbraw/zinc/34/52/57/925345257.db2.gz VGUZQFSXGVCYQZ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001406113479 925345499 /nfs/dbraw/zinc/34/54/99/925345499.db2.gz HEAKFJVFSWWVBL-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001406113479 925345509 /nfs/dbraw/zinc/34/55/09/925345509.db2.gz HEAKFJVFSWWVBL-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406111903 925345606 /nfs/dbraw/zinc/34/56/06/925345606.db2.gz JMBUJAYQUPOTPT-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406111903 925345613 /nfs/dbraw/zinc/34/56/13/925345613.db2.gz JMBUJAYQUPOTPT-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406107176 925345692 /nfs/dbraw/zinc/34/56/92/925345692.db2.gz KPALAAGFRQAJHX-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406107176 925345701 /nfs/dbraw/zinc/34/57/01/925345701.db2.gz KPALAAGFRQAJHX-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406111901 925345933 /nfs/dbraw/zinc/34/59/33/925345933.db2.gz JMBUJAYQUPOTPT-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406111901 925345941 /nfs/dbraw/zinc/34/59/41/925345941.db2.gz JMBUJAYQUPOTPT-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406121703 925346018 /nfs/dbraw/zinc/34/60/18/925346018.db2.gz GQDMYCPXWIRHAU-MNOVXSKESA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406121703 925346028 /nfs/dbraw/zinc/34/60/28/925346028.db2.gz GQDMYCPXWIRHAU-MNOVXSKESA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001406121723 925346182 /nfs/dbraw/zinc/34/61/82/925346182.db2.gz GQDMYCPXWIRHAU-WDEREUQCSA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001406121723 925346194 /nfs/dbraw/zinc/34/61/94/925346194.db2.gz GQDMYCPXWIRHAU-WDEREUQCSA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406098836 925346824 /nfs/dbraw/zinc/34/68/24/925346824.db2.gz BDBJFGCNNIUSQT-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406098836 925346833 /nfs/dbraw/zinc/34/68/33/925346833.db2.gz BDBJFGCNNIUSQT-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CCn1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001406147938 925347047 /nfs/dbraw/zinc/34/70/47/925347047.db2.gz CVSORSBIQIMYHJ-UHFFFAOYSA-N 1 1 311.346 -1.503 20 0 DAADMO CCn1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001406147938 925347054 /nfs/dbraw/zinc/34/70/54/925347054.db2.gz CVSORSBIQIMYHJ-UHFFFAOYSA-N 1 1 311.346 -1.503 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001406131698 925347105 /nfs/dbraw/zinc/34/71/05/925347105.db2.gz WVPBXQHZNGJZDV-JTQLQIEISA-N 1 1 312.374 -1.764 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001406131698 925347112 /nfs/dbraw/zinc/34/71/12/925347112.db2.gz WVPBXQHZNGJZDV-JTQLQIEISA-N 1 1 312.374 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001406131706 925347394 /nfs/dbraw/zinc/34/73/94/925347394.db2.gz WVPBXQHZNGJZDV-SNVBAGLBSA-N 1 1 312.374 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001406131706 925347404 /nfs/dbraw/zinc/34/74/04/925347404.db2.gz WVPBXQHZNGJZDV-SNVBAGLBSA-N 1 1 312.374 -1.764 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001406137727 925347782 /nfs/dbraw/zinc/34/77/82/925347782.db2.gz HLQZFLZOSDJMTO-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001406137727 925347791 /nfs/dbraw/zinc/34/77/91/925347791.db2.gz HLQZFLZOSDJMTO-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406173538 925348546 /nfs/dbraw/zinc/34/85/46/925348546.db2.gz SWAHOUHFKBICHN-SNVBAGLBSA-N 1 1 311.386 -1.009 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406173538 925348558 /nfs/dbraw/zinc/34/85/58/925348558.db2.gz SWAHOUHFKBICHN-SNVBAGLBSA-N 1 1 311.386 -1.009 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001406193653 925349696 /nfs/dbraw/zinc/34/96/96/925349696.db2.gz LMMLGNCXHBSUAG-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)nn1 ZINC001406188035 925349968 /nfs/dbraw/zinc/34/99/68/925349968.db2.gz LCTAYAJNMRHIIV-NEPJUHHUSA-N 1 1 313.358 -1.720 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)c1ccc(=O)[nH]n1 ZINC001406188361 925350035 /nfs/dbraw/zinc/35/00/35/925350035.db2.gz GMADNZJYTTYPKN-ZETCQYMHSA-N 1 1 310.339 -1.086 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)nn1 ZINC001406188043 925350539 /nfs/dbraw/zinc/35/05/39/925350539.db2.gz LCTAYAJNMRHIIV-RYUDHWBXSA-N 1 1 313.358 -1.720 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001406188666 925350854 /nfs/dbraw/zinc/35/08/54/925350854.db2.gz IEKDQNGQVWTDQW-LLVKDONJSA-N 1 1 324.385 -1.513 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)n2cncn2)[nH]1 ZINC001406199863 925352591 /nfs/dbraw/zinc/35/25/91/925352591.db2.gz AKXNIAOIMJMPIC-WPRPVWTQSA-N 1 1 308.346 -1.467 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C1=COCCO1 ZINC001406208434 925354154 /nfs/dbraw/zinc/35/41/54/925354154.db2.gz WJUOUQMJLAPIEZ-SNVBAGLBSA-N 1 1 324.341 -1.537 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406205379 925354990 /nfs/dbraw/zinc/35/49/90/925354990.db2.gz CWSPLZWFIOGKMF-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)nn1 ZINC001406203288 925355771 /nfs/dbraw/zinc/35/57/71/925355771.db2.gz CKYFEPYMWQJSPH-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001406206306 925356009 /nfs/dbraw/zinc/35/60/09/925356009.db2.gz JHFPRNHVBOTTKY-SECBINFHSA-N 1 1 322.373 -1.506 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001406211853 925356275 /nfs/dbraw/zinc/35/62/75/925356275.db2.gz KIHQHSYLAHELDP-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cncc(F)c1 ZINC001406211364 925357236 /nfs/dbraw/zinc/35/72/36/925357236.db2.gz LXDUEKNIDZEQIJ-SNVBAGLBSA-N 1 1 309.305 -1.375 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)n1cccn1 ZINC001406220946 925358756 /nfs/dbraw/zinc/35/87/56/925358756.db2.gz PXTGJULCQHPMBU-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)n1cccn1 ZINC001406220943 925359237 /nfs/dbraw/zinc/35/92/37/925359237.db2.gz PXTGJULCQHPMBU-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001406218100 925359707 /nfs/dbraw/zinc/35/97/07/925359707.db2.gz PXEOPJNFMFOGBD-JGVFFNPUSA-N 1 1 320.375 -2.618 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)n1cccn1 ZINC001406220948 925359967 /nfs/dbraw/zinc/35/99/67/925359967.db2.gz PXTGJULCQHPMBU-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001406222334 925362174 /nfs/dbraw/zinc/36/21/74/925362174.db2.gz OCWANOCOSZEASP-GHMZBOCLSA-N 1 1 324.385 -1.077 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccon1)c1nnnn1C ZINC001406223017 925362195 /nfs/dbraw/zinc/36/21/95/925362195.db2.gz QRHSKCLOQSHCHF-SCZZXKLOSA-N 1 1 309.330 -1.432 20 0 DAADMO Cc1ocnc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406221575 925362761 /nfs/dbraw/zinc/36/27/61/925362761.db2.gz TVFQEVMZPFTRRQ-APPZFPTMSA-N 1 1 309.330 -1.052 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C2CC2)n1 ZINC001406224629 925363393 /nfs/dbraw/zinc/36/33/93/925363393.db2.gz XZWMQBUIATVMQR-OCCSQVGLSA-N 1 1 311.386 -1.067 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001406228142 925363635 /nfs/dbraw/zinc/36/36/35/925363635.db2.gz LBPYLLWHUOQTDJ-GXSJLCMTSA-N 1 1 311.342 -1.495 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001406227399 925363665 /nfs/dbraw/zinc/36/36/65/925363665.db2.gz UFCZAMUMBXLOOC-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001406227524 925364206 /nfs/dbraw/zinc/36/42/06/925364206.db2.gz BMMMBZNIUVEUEX-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001406228158 925364321 /nfs/dbraw/zinc/36/43/21/925364321.db2.gz LBPYLLWHUOQTDJ-ONGXEEELSA-N 1 1 311.342 -1.495 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001406227404 925364401 /nfs/dbraw/zinc/36/44/01/925364401.db2.gz UFCZAMUMBXLOOC-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001406225455 925364696 /nfs/dbraw/zinc/36/46/96/925364696.db2.gz ADWCNRMLSHHUFB-ZJUUUORDSA-N 1 1 313.358 -1.141 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001406229220 925365305 /nfs/dbraw/zinc/36/53/05/925365305.db2.gz VVSWQRDUVAWAKZ-VIFPVBQESA-N 1 1 308.346 -1.313 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)cc1=O ZINC001406231385 925366017 /nfs/dbraw/zinc/36/60/17/925366017.db2.gz AMJMSXVXDGIUSM-SNVBAGLBSA-N 1 1 318.337 -1.549 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001406229642 925366363 /nfs/dbraw/zinc/36/63/63/925366363.db2.gz WQYQICAYPAAKPE-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001406231038 925366561 /nfs/dbraw/zinc/36/65/61/925366561.db2.gz YCMAJVVECCVRTB-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nncn2C)[nH]1 ZINC001406228661 925366746 /nfs/dbraw/zinc/36/67/46/925366746.db2.gz YVKIWRDYYZELEK-WPRPVWTQSA-N 1 1 322.373 -1.388 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001406234491 925367062 /nfs/dbraw/zinc/36/70/62/925367062.db2.gz HHHZJUGJEUERLD-UWVGGRQHSA-N 1 1 310.358 -1.467 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNCc1ncnn1C ZINC001406243706 925371615 /nfs/dbraw/zinc/37/16/15/925371615.db2.gz KKBMDYAGEMDSJX-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CC1=O ZINC001406242968 925371669 /nfs/dbraw/zinc/37/16/69/925371669.db2.gz YACDNFDPDNOJGI-DTWKUNHWSA-N 1 1 313.383 -1.417 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CC1=O ZINC001406242975 925372161 /nfs/dbraw/zinc/37/21/61/925372161.db2.gz YACDNFDPDNOJGI-IUCAKERBSA-N 1 1 313.383 -1.417 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1ccon1)c1nnnn1C ZINC001406248037 925375372 /nfs/dbraw/zinc/37/53/72/925375372.db2.gz QVWUWLYFSQWAKT-KOLCDFICSA-N 1 1 323.357 -1.041 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001406249150 925375696 /nfs/dbraw/zinc/37/56/96/925375696.db2.gz SYXQBPCRIROTON-PSASIEDQSA-N 1 1 319.387 -2.185 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001406253026 925376862 /nfs/dbraw/zinc/37/68/62/925376862.db2.gz MKUNXOLFMXTOKD-SECBINFHSA-N 1 1 312.374 -1.353 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001406253033 925377129 /nfs/dbraw/zinc/37/71/29/925377129.db2.gz MKUNXOLFMXTOKD-VIFPVBQESA-N 1 1 312.374 -1.353 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406253283 925378648 /nfs/dbraw/zinc/37/86/48/925378648.db2.gz JSUBECGMGDCSQE-WPRPVWTQSA-N 1 1 312.330 -2.032 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406255415 925378880 /nfs/dbraw/zinc/37/88/80/925378880.db2.gz LCBUYTIWTFMQRH-GXSJLCMTSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)[nH]1 ZINC001406253620 925379095 /nfs/dbraw/zinc/37/90/95/925379095.db2.gz ZVEMGGNGRXRZFQ-HZMBPMFUSA-N 1 1 324.385 -1.404 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2=NC(=O)N(C)C2)C1=O ZINC001406255154 925379785 /nfs/dbraw/zinc/37/97/85/925379785.db2.gz GAZMCHPHJLKSFM-BDAKNGLRSA-N 1 1 311.342 -1.963 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406255432 925379957 /nfs/dbraw/zinc/37/99/57/925379957.db2.gz LCBUYTIWTFMQRH-KOLCDFICSA-N 1 1 311.342 -1.427 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)NC1CCCC1 ZINC001406257396 925382504 /nfs/dbraw/zinc/38/25/04/925382504.db2.gz PXPYGEPCUWYCGH-JTQLQIEISA-N 1 1 310.358 -1.456 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)nn1 ZINC001406261258 925382991 /nfs/dbraw/zinc/38/29/91/925382991.db2.gz UZYYHCMSHZZJCF-RISCZKNCSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001406260078 925383312 /nfs/dbraw/zinc/38/33/12/925383312.db2.gz LKNFFMRWVBTDCA-LLVKDONJSA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1C ZINC001406259455 925383519 /nfs/dbraw/zinc/38/35/19/925383519.db2.gz IUMZBTKKMPPHAJ-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001406259450 925384120 /nfs/dbraw/zinc/38/41/20/925384120.db2.gz ITJUJBFLAUMXLT-RKDXNWHRSA-N 1 1 313.383 -1.274 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406263034 925384669 /nfs/dbraw/zinc/38/46/69/925384669.db2.gz RNIQMGCVZUTRNH-NWDGAFQWSA-N 1 1 312.374 -1.704 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CCC(=O)NC1 ZINC001406266097 925386683 /nfs/dbraw/zinc/38/66/83/925386683.db2.gz WPBTYUIDONBTCK-XHDPSFHLSA-N 1 1 321.381 -1.040 20 0 DAADMO C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CCC(=O)NC1 ZINC001406266080 925386704 /nfs/dbraw/zinc/38/67/04/925386704.db2.gz WPBTYUIDONBTCK-ABAIWWIYSA-N 1 1 321.381 -1.040 20 0 DAADMO COc1cccnc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406270414 925388836 /nfs/dbraw/zinc/38/88/36/925388836.db2.gz BPAXJBUXTPTZLV-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cccn(C)c1=O ZINC001406274541 925390446 /nfs/dbraw/zinc/39/04/46/925390446.db2.gz GDMGMCVEKRWPLX-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406281957 925391578 /nfs/dbraw/zinc/39/15/78/925391578.db2.gz MEPGANPYVHEKQG-LBPRGKRZSA-N 1 1 321.385 -1.036 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2cncn2C)nn1 ZINC001406287871 925393535 /nfs/dbraw/zinc/39/35/35/925393535.db2.gz TYCQCFHPIYUMKP-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001406283546 925393750 /nfs/dbraw/zinc/39/37/50/925393750.db2.gz HPRJIILPWHDUSI-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cccnn1 ZINC001406287208 925393987 /nfs/dbraw/zinc/39/39/87/925393987.db2.gz NSEMQECUTWBLCQ-JTQLQIEISA-N 1 1 323.332 -1.082 20 0 DAADMO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406287088 925394060 /nfs/dbraw/zinc/39/40/60/925394060.db2.gz MAEODIRODMLDCR-GXFFZTMASA-N 1 1 321.385 -1.016 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001406287311 925394191 /nfs/dbraw/zinc/39/41/91/925394191.db2.gz MGQZANIATGLTBH-JTQLQIEISA-N 1 1 305.356 -1.324 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001406283779 925395620 /nfs/dbraw/zinc/39/56/20/925395620.db2.gz KITGLHIKJVGHNV-GXFFZTMASA-N 1 1 321.385 -1.016 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406290649 925396437 /nfs/dbraw/zinc/39/64/37/925396437.db2.gz VFFQKNAPBKVWER-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1 ZINC001406293383 925396669 /nfs/dbraw/zinc/39/66/69/925396669.db2.gz QNBVVCVQXYBISO-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001406289738 925396976 /nfs/dbraw/zinc/39/69/76/925396976.db2.gz OQLNCCAANDBINT-LBPRGKRZSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cncn1)c1ncccn1 ZINC001406288884 925397515 /nfs/dbraw/zinc/39/75/15/925397515.db2.gz RQHRUJJBACJANW-WDEREUQCSA-N 1 1 305.342 -1.104 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001406289728 925398036 /nfs/dbraw/zinc/39/80/36/925398036.db2.gz OQLNCCAANDBINT-GFCCVEGCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001406290906 925398105 /nfs/dbraw/zinc/39/81/05/925398105.db2.gz VXRRWTCEDFYYDV-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nonc2C)nn1 ZINC001406294020 925399166 /nfs/dbraw/zinc/39/91/66/925399166.db2.gz VEOBAJBUCWUALN-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNCc1nnnn1C ZINC001406299705 925402041 /nfs/dbraw/zinc/40/20/41/925402041.db2.gz XHPLTWZBRGWAQP-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001406329154 925403414 /nfs/dbraw/zinc/40/34/14/925403414.db2.gz XATMQBOGZPQYDB-SECBINFHSA-N 1 1 310.358 -1.461 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001406360782 925404938 /nfs/dbraw/zinc/40/49/38/925404938.db2.gz KJXCACQPVUNKEI-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001406368622 925405436 /nfs/dbraw/zinc/40/54/36/925405436.db2.gz QRGATQWOCCMMPF-SSDOTTSWSA-N 1 1 301.372 -1.248 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCNS(C)(=O)=O ZINC001406359104 925405806 /nfs/dbraw/zinc/40/58/06/925405806.db2.gz GWVNDIHSXNLSLJ-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001406369977 925407058 /nfs/dbraw/zinc/40/70/58/925407058.db2.gz STJUNOHXAYPNTF-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001406381736 925407819 /nfs/dbraw/zinc/40/78/19/925407819.db2.gz NVEBBUDYGLIEDL-PWSUYJOCSA-N 1 1 324.385 -1.543 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)c1cnn[nH]1 ZINC001406379120 925408401 /nfs/dbraw/zinc/40/84/01/925408401.db2.gz VHJHICZXADYYEF-MRVPVSSYSA-N 1 1 309.330 -2.529 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001406388101 925410161 /nfs/dbraw/zinc/41/01/61/925410161.db2.gz WQMHSJVNZVGEJO-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC001406405046 925413192 /nfs/dbraw/zinc/41/31/92/925413192.db2.gz DBRJSWWEQWOWMX-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001406470273 925416811 /nfs/dbraw/zinc/41/68/11/925416811.db2.gz QRBZMGRHLDKGSI-IONNQARKSA-N 1 1 309.330 -1.289 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001406497828 925418085 /nfs/dbraw/zinc/41/80/85/925418085.db2.gz ZEYJOXDPZUBOCG-UWVGGRQHSA-N 1 1 322.373 -1.434 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CN1CCOCC1=O ZINC001406477635 925418265 /nfs/dbraw/zinc/41/82/65/925418265.db2.gz AYKKGSBQHPMVCQ-QWRGUYRKSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O)c1nncn1C ZINC001406497838 925418435 /nfs/dbraw/zinc/41/84/35/925418435.db2.gz ZEYJOXDPZUBOCG-VHSXEESVSA-N 1 1 322.373 -1.434 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001406489372 925418817 /nfs/dbraw/zinc/41/88/17/925418817.db2.gz WQMHSJVNZVGEJO-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)COCc1nncn1C ZINC001406537578 925422657 /nfs/dbraw/zinc/42/26/57/925422657.db2.gz ALAFOSJVPKWSAN-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1ccc(=O)n(C)n1 ZINC001406560735 925422843 /nfs/dbraw/zinc/42/28/43/925422843.db2.gz NGIWKYDPYKWNOR-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001406558435 925423007 /nfs/dbraw/zinc/42/30/07/925423007.db2.gz UOGVORNQDUEOHL-ZETCQYMHSA-N 1 1 322.329 -2.083 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001406608994 925424095 /nfs/dbraw/zinc/42/40/95/925424095.db2.gz KRQAHHHFHGHTLM-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001406608994 925424099 /nfs/dbraw/zinc/42/40/99/925424099.db2.gz KRQAHHHFHGHTLM-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406595605 925424111 /nfs/dbraw/zinc/42/41/11/925424111.db2.gz DMVLEUBALWGUAG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406595605 925424114 /nfs/dbraw/zinc/42/41/14/925424114.db2.gz DMVLEUBALWGUAG-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406595595 925424127 /nfs/dbraw/zinc/42/41/27/925424127.db2.gz DMVLEUBALWGUAG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406595595 925424133 /nfs/dbraw/zinc/42/41/33/925424133.db2.gz DMVLEUBALWGUAG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001406581407 925424162 /nfs/dbraw/zinc/42/41/62/925424162.db2.gz LNYINRWRNRHCFW-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001406581407 925424177 /nfs/dbraw/zinc/42/41/77/925424177.db2.gz LNYINRWRNRHCFW-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001406621563 925424222 /nfs/dbraw/zinc/42/42/22/925424222.db2.gz SLHNBNUHHRUMNX-BDAKNGLRSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001406621563 925424226 /nfs/dbraw/zinc/42/42/26/925424226.db2.gz SLHNBNUHHRUMNX-BDAKNGLRSA-N 1 1 322.387 -1.920 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001406614119 925424348 /nfs/dbraw/zinc/42/43/48/925424348.db2.gz PJAXDWJGJDEEPR-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001406614119 925424353 /nfs/dbraw/zinc/42/43/53/925424353.db2.gz PJAXDWJGJDEEPR-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001406615495 925425132 /nfs/dbraw/zinc/42/51/32/925425132.db2.gz UPUQMRGWONOKLE-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001406615495 925425134 /nfs/dbraw/zinc/42/51/34/925425134.db2.gz UPUQMRGWONOKLE-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO COCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001406588952 925425146 /nfs/dbraw/zinc/42/51/46/925425146.db2.gz UZFDGSDJAIKDEJ-SNVBAGLBSA-N 1 1 312.370 -1.333 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633479 925425810 /nfs/dbraw/zinc/42/58/10/925425810.db2.gz CRKWVTJSAKGBEX-GHMZBOCLSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633479 925425821 /nfs/dbraw/zinc/42/58/21/925425821.db2.gz CRKWVTJSAKGBEX-GHMZBOCLSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406633396 925425993 /nfs/dbraw/zinc/42/59/93/925425993.db2.gz CBQBGVRZKIRRPC-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633482 925426011 /nfs/dbraw/zinc/42/60/11/925426011.db2.gz CRKWVTJSAKGBEX-MNOVXSKESA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001406633482 925426016 /nfs/dbraw/zinc/42/60/16/925426016.db2.gz CRKWVTJSAKGBEX-MNOVXSKESA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001406654326 925426583 /nfs/dbraw/zinc/42/65/83/925426583.db2.gz QCXOMATVFQLYQX-SECBINFHSA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001406654326 925426586 /nfs/dbraw/zinc/42/65/86/925426586.db2.gz QCXOMATVFQLYQX-SECBINFHSA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406644246 925426709 /nfs/dbraw/zinc/42/67/09/925426709.db2.gz CCLQNTHZETWPHF-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406644246 925426713 /nfs/dbraw/zinc/42/67/13/925426713.db2.gz CCLQNTHZETWPHF-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406653826 925427159 /nfs/dbraw/zinc/42/71/59/925427159.db2.gz PLXCHTGTJBLGED-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406653826 925427166 /nfs/dbraw/zinc/42/71/66/925427166.db2.gz PLXCHTGTJBLGED-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406644242 925427200 /nfs/dbraw/zinc/42/72/00/925427200.db2.gz CCLQNTHZETWPHF-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406644242 925427213 /nfs/dbraw/zinc/42/72/13/925427213.db2.gz CCLQNTHZETWPHF-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406709368 925428179 /nfs/dbraw/zinc/42/81/79/925428179.db2.gz UXMYGFYJTGSKJF-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406693613 925428365 /nfs/dbraw/zinc/42/83/65/925428365.db2.gz MQUBUBXULULJJO-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001406686010 925428646 /nfs/dbraw/zinc/42/86/46/925428646.db2.gz KNFZAWCQOPIIEO-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1nccnc1C(N)=O ZINC001406699968 925429310 /nfs/dbraw/zinc/42/93/10/925429310.db2.gz XOBHPUVRDUJMMI-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1nccnc1C(N)=O ZINC001406699968 925429319 /nfs/dbraw/zinc/42/93/19/925429319.db2.gz XOBHPUVRDUJMMI-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703051 925429397 /nfs/dbraw/zinc/42/93/97/925429397.db2.gz VPVKVDFDWLRQHX-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703051 925429402 /nfs/dbraw/zinc/42/94/02/925429402.db2.gz VPVKVDFDWLRQHX-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406771966 925431134 /nfs/dbraw/zinc/43/11/34/925431134.db2.gz HFZJWBWMSMXZPI-IONNQARKSA-N 1 1 310.362 -1.749 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406776131 925431191 /nfs/dbraw/zinc/43/11/91/925431191.db2.gz RSALHGSWXXDJLR-PSASIEDQSA-N 1 1 309.374 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001406768037 925431442 /nfs/dbraw/zinc/43/14/42/925431442.db2.gz BXPUSKOKBVSAAD-DTWKUNHWSA-N 1 1 308.346 -2.124 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001406818225 925433072 /nfs/dbraw/zinc/43/30/72/925433072.db2.gz BMDIZKXQEKVWQH-KOLCDFICSA-N 1 1 310.358 -1.552 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001406806728 925433500 /nfs/dbraw/zinc/43/35/00/925433500.db2.gz HENWZAXORYZEKX-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCOC2)n1 ZINC001406832521 925434616 /nfs/dbraw/zinc/43/46/16/925434616.db2.gz QXYDSCWVZFDFBS-WDEREUQCSA-N 1 1 322.369 -1.396 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001406825279 925434968 /nfs/dbraw/zinc/43/49/68/925434968.db2.gz HCSFPFOQNCYKLU-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001406825280 925435070 /nfs/dbraw/zinc/43/50/70/925435070.db2.gz HCSFPFOQNCYKLU-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001406846988 925437087 /nfs/dbraw/zinc/43/70/87/925437087.db2.gz IEXHQHUJWQMACU-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001406880518 925442030 /nfs/dbraw/zinc/44/20/30/925442030.db2.gz FYGWJRBCCOVHKU-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001406880518 925442037 /nfs/dbraw/zinc/44/20/37/925442037.db2.gz FYGWJRBCCOVHKU-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO CN1C[C@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)NC1=O ZINC001406960819 925444653 /nfs/dbraw/zinc/44/46/53/925444653.db2.gz WDPUOPJFIFSSDR-MRVPVSSYSA-N 1 1 323.357 -2.130 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)c3c[nH]c(=O)cn3)CC2)nn1 ZINC001406963683 925445492 /nfs/dbraw/zinc/44/54/92/925445492.db2.gz SFPNSSDYHSQTGC-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001407022596 925446585 /nfs/dbraw/zinc/44/65/85/925446585.db2.gz BBRYNRRTXUPHNW-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001407022596 925446589 /nfs/dbraw/zinc/44/65/89/925446589.db2.gz BBRYNRRTXUPHNW-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001407022604 925446909 /nfs/dbraw/zinc/44/69/09/925446909.db2.gz BBRYNRRTXUPHNW-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001407022604 925446912 /nfs/dbraw/zinc/44/69/12/925446912.db2.gz BBRYNRRTXUPHNW-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001407035291 925448106 /nfs/dbraw/zinc/44/81/06/925448106.db2.gz WEXSOSASKSQJBB-YPMHNXCESA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407043239 925448186 /nfs/dbraw/zinc/44/81/86/925448186.db2.gz YKBCRNFDRYMJHH-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407043241 925448372 /nfs/dbraw/zinc/44/83/72/925448372.db2.gz YKBCRNFDRYMJHH-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@H](C)O)C2)C1 ZINC001407035286 925448424 /nfs/dbraw/zinc/44/84/24/925448424.db2.gz GIZAMNNAMJMLCO-WCQYABFASA-N 1 1 319.427 -1.159 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001407151237 925454338 /nfs/dbraw/zinc/45/43/38/925454338.db2.gz GARWIXDHTFFDLV-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001407120099 925454558 /nfs/dbraw/zinc/45/45/58/925454558.db2.gz KWXXKXQPGMQZDC-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@H](OC)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001407151206 925455031 /nfs/dbraw/zinc/45/50/31/925455031.db2.gz GARWIXDHTFFDLV-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001407169330 925457072 /nfs/dbraw/zinc/45/70/72/925457072.db2.gz GNRGUINLSJYYEG-CYBMUJFWSA-N 1 1 309.374 -1.138 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001407169330 925457078 /nfs/dbraw/zinc/45/70/78/925457078.db2.gz GNRGUINLSJYYEG-CYBMUJFWSA-N 1 1 309.374 -1.138 20 0 DAADMO C[C@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+](CC(N)=O)C1 ZINC001407163070 925457333 /nfs/dbraw/zinc/45/73/33/925457333.db2.gz GLOGNXHCQNZPMM-ZDUSSCGKSA-N 1 1 309.326 -1.985 20 0 DAADMO C[C@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](CC(N)=O)C1 ZINC001407163070 925457338 /nfs/dbraw/zinc/45/73/38/925457338.db2.gz GLOGNXHCQNZPMM-ZDUSSCGKSA-N 1 1 309.326 -1.985 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001407191348 925458718 /nfs/dbraw/zinc/45/87/18/925458718.db2.gz URRBNLVLKKXNST-AWEZNQCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001407191348 925458729 /nfs/dbraw/zinc/45/87/29/925458729.db2.gz URRBNLVLKKXNST-AWEZNQCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CC(=O)NC(N)=O)C2)C1 ZINC001407186396 925458751 /nfs/dbraw/zinc/45/87/51/925458751.db2.gz TUVGJPDTOQKBAA-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@](C)(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001407213039 925459256 /nfs/dbraw/zinc/45/92/56/925459256.db2.gz FEDLGCOADMNRIC-CYBMUJFWSA-N 1 1 319.373 -1.019 20 0 DAADMO C[C@@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001407223468 925461148 /nfs/dbraw/zinc/46/11/48/925461148.db2.gz DUXUYZUIWUSFIX-AWEZNQCLSA-N 1 1 322.369 -1.025 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC001407326175 925461851 /nfs/dbraw/zinc/46/18/51/925461851.db2.gz LSBYMFNXJUGZPP-AWEZNQCLSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC001407326175 925461860 /nfs/dbraw/zinc/46/18/60/925461860.db2.gz LSBYMFNXJUGZPP-AWEZNQCLSA-N 1 1 307.354 -1.145 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(C)CCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001407304862 925462010 /nfs/dbraw/zinc/46/20/10/925462010.db2.gz QNCBDYWQQYCXCL-IINYFYTJSA-N 1 1 321.385 -1.070 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001407322325 925462074 /nfs/dbraw/zinc/46/20/74/925462074.db2.gz FQSOUYNUDWHCBR-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001407322325 925462078 /nfs/dbraw/zinc/46/20/78/925462078.db2.gz FQSOUYNUDWHCBR-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO COC[C@H](O)C[NH2+]C1(CNC(=O)c2ncn[nH]2)CCOCC1 ZINC001407307988 925462314 /nfs/dbraw/zinc/46/23/14/925462314.db2.gz IYSUNOQFYUVCJY-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO COC[C@H](O)C[NH2+]C1(CNC(=O)c2nc[nH]n2)CCOCC1 ZINC001407307988 925462317 /nfs/dbraw/zinc/46/23/17/925462317.db2.gz IYSUNOQFYUVCJY-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001407311115 925462326 /nfs/dbraw/zinc/46/23/26/925462326.db2.gz CPSNJIBAGSMJFB-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001407311115 925462331 /nfs/dbraw/zinc/46/23/31/925462331.db2.gz CPSNJIBAGSMJFB-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1)N1CCC1 ZINC001407329801 925462384 /nfs/dbraw/zinc/46/23/84/925462384.db2.gz ZXTZIMQZHPWGCL-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCO2)C1)N1CCC1 ZINC001407329801 925462387 /nfs/dbraw/zinc/46/23/87/925462387.db2.gz ZXTZIMQZHPWGCL-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO COC[C@@H](O)C[NH2+]C1(CNC(=O)c2cnn[nH]2)CCOCC1 ZINC001407311045 925462421 /nfs/dbraw/zinc/46/24/21/925462421.db2.gz VWZDIZPHWYJKIS-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001407324419 925462748 /nfs/dbraw/zinc/46/27/48/925462748.db2.gz BEGWDQQUBSMIGV-CYBMUJFWSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001407324419 925462755 /nfs/dbraw/zinc/46/27/55/925462755.db2.gz BEGWDQQUBSMIGV-CYBMUJFWSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC001407326185 925462958 /nfs/dbraw/zinc/46/29/58/925462958.db2.gz LSBYMFNXJUGZPP-CQSZACIVSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC001407326185 925462966 /nfs/dbraw/zinc/46/29/66/925462966.db2.gz LSBYMFNXJUGZPP-CQSZACIVSA-N 1 1 307.354 -1.145 20 0 DAADMO CC(=O)NCC(=O)NCC1([NH2+]Cc2ncnn2C)CCOCC1 ZINC001407292016 925463069 /nfs/dbraw/zinc/46/30/69/925463069.db2.gz QVBKIHJRMBKJTI-UHFFFAOYSA-N 1 1 324.385 -1.294 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001407323060 925463252 /nfs/dbraw/zinc/46/32/52/925463252.db2.gz SXMJVCHDZXNEIF-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001407323060 925463256 /nfs/dbraw/zinc/46/32/56/925463256.db2.gz SXMJVCHDZXNEIF-CYBMUJFWSA-N 1 1 300.359 -1.205 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001407347053 925464204 /nfs/dbraw/zinc/46/42/04/925464204.db2.gz LSFHUEXXFGLOAY-LLVKDONJSA-N 1 1 309.388 -2.577 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001407348999 925464214 /nfs/dbraw/zinc/46/42/14/925464214.db2.gz HOHYYEMQHQIISF-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)o1 ZINC001407330255 925464316 /nfs/dbraw/zinc/46/43/16/925464316.db2.gz LSQPASMZLMIQPP-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)o1 ZINC001407330255 925464326 /nfs/dbraw/zinc/46/43/26/925464326.db2.gz LSQPASMZLMIQPP-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407340822 925464410 /nfs/dbraw/zinc/46/44/10/925464410.db2.gz GOOCKPBGBLZFRQ-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407340822 925464419 /nfs/dbraw/zinc/46/44/19/925464419.db2.gz GOOCKPBGBLZFRQ-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407346261 925464590 /nfs/dbraw/zinc/46/45/90/925464590.db2.gz DEXZZTVHBQQISE-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407346261 925464595 /nfs/dbraw/zinc/46/45/95/925464595.db2.gz DEXZZTVHBQQISE-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407345500 925464698 /nfs/dbraw/zinc/46/46/98/925464698.db2.gz CUFYPRYNZKFSDZ-HNNXBMFYSA-N 1 1 321.381 -1.263 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407345500 925464703 /nfs/dbraw/zinc/46/47/03/925464703.db2.gz CUFYPRYNZKFSDZ-HNNXBMFYSA-N 1 1 321.381 -1.263 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001407341106 925464873 /nfs/dbraw/zinc/46/48/73/925464873.db2.gz HNDVVGVWFYARCW-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001407341106 925464879 /nfs/dbraw/zinc/46/48/79/925464879.db2.gz HNDVVGVWFYARCW-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001407334775 925465078 /nfs/dbraw/zinc/46/50/78/925465078.db2.gz ZAZPYOLDRKPIOG-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001407334775 925465082 /nfs/dbraw/zinc/46/50/82/925465082.db2.gz ZAZPYOLDRKPIOG-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407349136 925465236 /nfs/dbraw/zinc/46/52/36/925465236.db2.gz IGWQEWSTLVGYEX-IAQYHMDHSA-N 1 1 323.397 -1.018 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001407338400 925466155 /nfs/dbraw/zinc/46/61/55/925466155.db2.gz BMGQWFMUWRXBIH-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001407338400 925466159 /nfs/dbraw/zinc/46/61/59/925466159.db2.gz BMGQWFMUWRXBIH-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352551 925466644 /nfs/dbraw/zinc/46/66/44/925466644.db2.gz UHAXPECUTRLXEM-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352551 925466649 /nfs/dbraw/zinc/46/66/49/925466649.db2.gz UHAXPECUTRLXEM-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO CC[C@@H](OC)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407355352 925466696 /nfs/dbraw/zinc/46/66/96/925466696.db2.gz QDFZUDGXXIGKHN-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CC[C@@H](OC)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407355352 925466703 /nfs/dbraw/zinc/46/67/03/925466703.db2.gz QDFZUDGXXIGKHN-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352563 925466931 /nfs/dbraw/zinc/46/69/31/925466931.db2.gz UHAXPECUTRLXEM-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352563 925466938 /nfs/dbraw/zinc/46/69/38/925466938.db2.gz UHAXPECUTRLXEM-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO CC[C@@H](OC)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407355358 925467111 /nfs/dbraw/zinc/46/71/11/925467111.db2.gz QDFZUDGXXIGKHN-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO CC[C@@H](OC)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407355358 925467118 /nfs/dbraw/zinc/46/71/18/925467118.db2.gz QDFZUDGXXIGKHN-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001407357356 925467302 /nfs/dbraw/zinc/46/73/02/925467302.db2.gz QLLNHWUTPZDSDS-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1c(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001407351874 925468037 /nfs/dbraw/zinc/46/80/37/925468037.db2.gz TZMRWLKPCFZRFC-OAHLLOKOSA-N 1 1 323.397 -1.301 20 0 DAADMO Cc1c(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001407351874 925468043 /nfs/dbraw/zinc/46/80/43/925468043.db2.gz TZMRWLKPCFZRFC-OAHLLOKOSA-N 1 1 323.397 -1.301 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)C(=O)C1CC1 ZINC001407352817 925468153 /nfs/dbraw/zinc/46/81/53/925468153.db2.gz UUQIQJOVUXYRCV-HNNXBMFYSA-N 1 1 313.398 -1.210 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001407355653 925468258 /nfs/dbraw/zinc/46/82/58/925468258.db2.gz YGCCPIBRFXFCRJ-HNNXBMFYSA-N 1 1 324.381 -1.492 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001407356958 925468292 /nfs/dbraw/zinc/46/82/92/925468292.db2.gz AJWDIFPNPHMKSD-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001407356958 925468297 /nfs/dbraw/zinc/46/82/97/925468297.db2.gz AJWDIFPNPHMKSD-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001407352599 925468339 /nfs/dbraw/zinc/46/83/39/925468339.db2.gz PSWINSWDPWSLLO-CQSZACIVSA-N 1 1 324.385 -1.270 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001407355971 925468538 /nfs/dbraw/zinc/46/85/38/925468538.db2.gz UCSWQQAZNSHXQV-JSGCOSHPSA-N 1 1 301.387 -1.164 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001407359214 925469608 /nfs/dbraw/zinc/46/96/08/925469608.db2.gz WSMPYHWEZKUIHJ-GXFFZTMASA-N 1 1 313.358 -2.011 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407364178 925469813 /nfs/dbraw/zinc/46/98/13/925469813.db2.gz GYWIOQXEMJSRKT-FZMZJTMJSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407364178 925469817 /nfs/dbraw/zinc/46/98/17/925469817.db2.gz GYWIOQXEMJSRKT-FZMZJTMJSA-N 1 1 323.353 -1.638 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001407357384 925469842 /nfs/dbraw/zinc/46/98/42/925469842.db2.gz AMFVSEQKSDRNOM-IUODEOHRSA-N 1 1 323.397 -1.052 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363914 925469902 /nfs/dbraw/zinc/46/99/02/925469902.db2.gz JSYDLRQUUCLLMD-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363914 925469911 /nfs/dbraw/zinc/46/99/11/925469911.db2.gz JSYDLRQUUCLLMD-IAQYHMDHSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001407363660 925469995 /nfs/dbraw/zinc/46/99/95/925469995.db2.gz NMMAAABPANUKHO-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001407363411 925470013 /nfs/dbraw/zinc/47/00/13/925470013.db2.gz MTZFLQDHHLJWFE-GWCFXTLKSA-N 1 1 303.359 -2.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001407363411 925470021 /nfs/dbraw/zinc/47/00/21/925470021.db2.gz MTZFLQDHHLJWFE-GWCFXTLKSA-N 1 1 303.359 -2.053 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001407360372 925470216 /nfs/dbraw/zinc/47/02/16/925470216.db2.gz COSMPCCXKSBXRB-WCQYABFASA-N 1 1 320.411 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001407360372 925470226 /nfs/dbraw/zinc/47/02/26/925470226.db2.gz COSMPCCXKSBXRB-WCQYABFASA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001407359363 925470774 /nfs/dbraw/zinc/47/07/74/925470774.db2.gz BYHGXQUOPSOVLE-CYBMUJFWSA-N 1 1 314.342 -2.526 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363936 925470878 /nfs/dbraw/zinc/47/08/78/925470878.db2.gz JSYDLRQUUCLLMD-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363936 925470886 /nfs/dbraw/zinc/47/08/86/925470886.db2.gz JSYDLRQUUCLLMD-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407369138 925472230 /nfs/dbraw/zinc/47/22/30/925472230.db2.gz WIWOOJMPMPVUPA-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407369138 925472236 /nfs/dbraw/zinc/47/22/36/925472236.db2.gz WIWOOJMPMPVUPA-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001407370922 925472457 /nfs/dbraw/zinc/47/24/57/925472457.db2.gz HAJYOYVDAQJSMT-CQSZACIVSA-N 1 1 312.370 -1.275 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001407373752 925472656 /nfs/dbraw/zinc/47/26/56/925472656.db2.gz ZOYLEXIQHYLULG-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001407373752 925472662 /nfs/dbraw/zinc/47/26/62/925472662.db2.gz ZOYLEXIQHYLULG-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)C(C)C ZINC001407367348 925472792 /nfs/dbraw/zinc/47/27/92/925472792.db2.gz KDJBFQPGTWBISG-TZMCWYRMSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)C(C)C ZINC001407367348 925472797 /nfs/dbraw/zinc/47/27/97/925472797.db2.gz KDJBFQPGTWBISG-TZMCWYRMSA-N 1 1 314.386 -1.815 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001407366709 925473253 /nfs/dbraw/zinc/47/32/53/925473253.db2.gz MJCFRJHOTLPXSZ-ZDUSSCGKSA-N 1 1 320.357 -1.727 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001407367123 925473276 /nfs/dbraw/zinc/47/32/76/925473276.db2.gz JALVHFIULRKUHT-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001407367123 925473278 /nfs/dbraw/zinc/47/32/78/925473278.db2.gz JALVHFIULRKUHT-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366243 925473285 /nfs/dbraw/zinc/47/32/85/925473285.db2.gz YFPWKGPWPOQJIG-JOYOIKCWSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnsn1 ZINC001407366243 925473289 /nfs/dbraw/zinc/47/32/89/925473289.db2.gz YFPWKGPWPOQJIG-JOYOIKCWSA-N 1 1 311.367 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001407374391 925473306 /nfs/dbraw/zinc/47/33/06/925473306.db2.gz BVBZTYONDRISKG-CYBMUJFWSA-N 1 1 311.342 -1.962 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001407374391 925473310 /nfs/dbraw/zinc/47/33/10/925473310.db2.gz BVBZTYONDRISKG-CYBMUJFWSA-N 1 1 311.342 -1.962 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001407365995 925473318 /nfs/dbraw/zinc/47/33/18/925473318.db2.gz ISIKFLJOUFKXBT-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001407365995 925473322 /nfs/dbraw/zinc/47/33/22/925473322.db2.gz ISIKFLJOUFKXBT-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)CC[N@H+]1C ZINC001407368365 925473381 /nfs/dbraw/zinc/47/33/81/925473381.db2.gz SAQCECVCITVMRH-HUBLWGQQSA-N 1 1 312.414 -1.245 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001407369961 925473409 /nfs/dbraw/zinc/47/34/09/925473409.db2.gz UCDZRIKAXIFFOQ-LBPRGKRZSA-N 1 1 323.415 -2.010 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001407370915 925473417 /nfs/dbraw/zinc/47/34/17/925473417.db2.gz HAJYOYVDAQJSMT-AWEZNQCLSA-N 1 1 312.370 -1.275 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407374794 925474154 /nfs/dbraw/zinc/47/41/54/925474154.db2.gz DQKGPIWIMZQTFL-ABAIWWIYSA-N 1 1 323.397 -1.015 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CC(=O)NC3CC3)C2)C1 ZINC001407380321 925474893 /nfs/dbraw/zinc/47/48/93/925474893.db2.gz DVADEELFIVADMR-MLGOLLRUSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407375980 925475110 /nfs/dbraw/zinc/47/51/10/925475110.db2.gz BUZXQAQFHYKKHJ-JSGCOSHPSA-N 1 1 311.386 -1.008 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001407375310 925475207 /nfs/dbraw/zinc/47/52/07/925475207.db2.gz UWVXHZFGOWGJQL-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001407375310 925475212 /nfs/dbraw/zinc/47/52/12/925475212.db2.gz UWVXHZFGOWGJQL-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001407375895 925475355 /nfs/dbraw/zinc/47/53/55/925475355.db2.gz RHMKJIZYKBBTRZ-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001407375895 925475359 /nfs/dbraw/zinc/47/53/59/925475359.db2.gz RHMKJIZYKBBTRZ-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382378 925475960 /nfs/dbraw/zinc/47/59/60/925475960.db2.gz GYOUACALUSUEPP-WFASDCNBSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407384049 925477098 /nfs/dbraw/zinc/47/70/98/925477098.db2.gz QXOQAPDJYVLPFH-NOZJJQNGSA-N 1 1 309.326 -1.567 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407384049 925477105 /nfs/dbraw/zinc/47/71/05/925477105.db2.gz QXOQAPDJYVLPFH-NOZJJQNGSA-N 1 1 309.326 -1.567 20 0 DAADMO CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407387494 925477780 /nfs/dbraw/zinc/47/77/80/925477780.db2.gz UAOZVDXTSLOMDN-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001407389572 925477888 /nfs/dbraw/zinc/47/78/88/925477888.db2.gz XSAJBVNKQGOFCV-CYBMUJFWSA-N 1 1 321.341 -1.164 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001407387905 925478063 /nfs/dbraw/zinc/47/80/63/925478063.db2.gz WPNVGKZNOCMLGI-WCQYABFASA-N 1 1 322.369 -1.737 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001407387910 925478225 /nfs/dbraw/zinc/47/82/25/925478225.db2.gz WPNVGKZNOCMLGI-YPMHNXCESA-N 1 1 322.369 -1.737 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001407387899 925478246 /nfs/dbraw/zinc/47/82/46/925478246.db2.gz WPNVGKZNOCMLGI-DGCLKSJQSA-N 1 1 322.369 -1.737 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001407386733 925478300 /nfs/dbraw/zinc/47/83/00/925478300.db2.gz SMGUTVNMERDWMH-HNNXBMFYSA-N 1 1 307.350 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001407474684 925497910 /nfs/dbraw/zinc/49/79/10/925497910.db2.gz VNNSOLCQYJDYDN-LBPRGKRZSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2cnnn2C)C1 ZINC001407472840 925498474 /nfs/dbraw/zinc/49/84/74/925498474.db2.gz RRBZLJLUAGBLIQ-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)NC(N)=O)C1 ZINC001407482007 925500157 /nfs/dbraw/zinc/50/01/57/925500157.db2.gz UHUFMZHMBYMPMI-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@H]3CCCOC3)C2)n1 ZINC001407501381 925503351 /nfs/dbraw/zinc/50/33/51/925503351.db2.gz UDOPOSJRPLAWLH-SNVBAGLBSA-N 1 1 310.358 -1.587 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407543002 925504599 /nfs/dbraw/zinc/50/45/99/925504599.db2.gz DQZBMAVEUZZONW-FRRDWIJNSA-N 1 1 308.382 -1.209 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001407565833 925505327 /nfs/dbraw/zinc/50/53/27/925505327.db2.gz YEPOYOYESNSFSC-PHIMTYICSA-N 1 1 305.400 -1.692 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001407556558 925505408 /nfs/dbraw/zinc/50/54/08/925505408.db2.gz QULBHGUAUYXNQW-VHSXEESVSA-N 1 1 324.389 -1.405 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001407552752 925505671 /nfs/dbraw/zinc/50/56/71/925505671.db2.gz KRTDHVJYCXFYJT-SDDRHHMPSA-N 1 1 324.381 -1.131 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001407545100 925506133 /nfs/dbraw/zinc/50/61/33/925506133.db2.gz FCZSPSNLMVCSES-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001407562224 925506232 /nfs/dbraw/zinc/50/62/32/925506232.db2.gz QJCVPMSEEXAKQD-PHIMTYICSA-N 1 1 307.358 -1.801 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407561885 925506423 /nfs/dbraw/zinc/50/64/23/925506423.db2.gz YIXAMFDHJROMSD-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001407562280 925506499 /nfs/dbraw/zinc/50/64/99/925506499.db2.gz QOSXPMYBNHUSOK-ZRUFSTJUSA-N 1 1 311.386 -1.303 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1)NC(N)=O ZINC001407551407 925506666 /nfs/dbraw/zinc/50/66/66/925506666.db2.gz GNKFDZOWAMHHMN-WYUUTHIRSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001407570173 925506725 /nfs/dbraw/zinc/50/67/25/925506725.db2.gz LFSUIZNBANICMG-TXEJJXNPSA-N 1 1 323.397 -1.333 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C1 ZINC001407573544 925507551 /nfs/dbraw/zinc/50/75/51/925507551.db2.gz SQUHYYOUQGHPMT-AOOOYVTPSA-N 1 1 320.353 -1.463 20 0 DAADMO Cn1cnnc1COCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001407601779 925507742 /nfs/dbraw/zinc/50/77/42/925507742.db2.gz ZDTFMDFLKJRLIT-PHIMTYICSA-N 1 1 322.369 -1.793 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H](O)C(C)C)C1 ZINC001407612613 925510075 /nfs/dbraw/zinc/51/00/75/925510075.db2.gz VGPBZDLFZORGPK-NFAWXSAZSA-N 1 1 318.414 -1.046 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](O)C(C)C)C1 ZINC001407612644 925510262 /nfs/dbraw/zinc/51/02/62/925510262.db2.gz VGPBZDLFZORGPK-UMVBOHGHSA-N 1 1 318.414 -1.046 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614701 925510681 /nfs/dbraw/zinc/51/06/81/925510681.db2.gz NOZBDEYSHMVVRG-DOMZBBRYSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cccn2)C1 ZINC001407614701 925510689 /nfs/dbraw/zinc/51/06/89/925510689.db2.gz NOZBDEYSHMVVRG-DOMZBBRYSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629658 925511883 /nfs/dbraw/zinc/51/18/83/925511883.db2.gz ABNHIPOCDBIJCC-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629658 925511892 /nfs/dbraw/zinc/51/18/92/925511892.db2.gz ABNHIPOCDBIJCC-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001407636817 925512083 /nfs/dbraw/zinc/51/20/83/925512083.db2.gz FXJZXQLGJWARKE-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001407630989 925512807 /nfs/dbraw/zinc/51/28/07/925512807.db2.gz INSFWZRUOXZEFA-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001407650790 925514525 /nfs/dbraw/zinc/51/45/25/925514525.db2.gz HTKJPCAXEGGRSI-GARJFASQSA-N 1 1 311.386 -1.159 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001407654026 925515321 /nfs/dbraw/zinc/51/53/21/925515321.db2.gz HKWCVKVCKIEOEV-SNVBAGLBSA-N 1 1 310.358 -1.632 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001407666082 925515958 /nfs/dbraw/zinc/51/59/58/925515958.db2.gz YIFFMPLZROROQO-WDEREUQCSA-N 1 1 322.406 -1.068 20 0 DAADMO CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001407760587 925523459 /nfs/dbraw/zinc/52/34/59/925523459.db2.gz FAQDAVZBCPJANI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1COCCN1CC(=O)NC ZINC001407749041 925523500 /nfs/dbraw/zinc/52/35/00/925523500.db2.gz UJPGEFXOKJVOFG-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001407760606 925523973 /nfs/dbraw/zinc/52/39/73/925523973.db2.gz FAQDAVZBCPJANI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CCC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001407781411 925525026 /nfs/dbraw/zinc/52/50/26/925525026.db2.gz ZZRBCVLBLMUUBO-UHFFFAOYSA-N 1 1 309.374 -1.135 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001407763005 925525156 /nfs/dbraw/zinc/52/51/56/925525156.db2.gz NWDDABSZZADJAF-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001407784773 925525647 /nfs/dbraw/zinc/52/56/47/925525647.db2.gz AEQJPGJJKZUEAL-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001407771102 925525781 /nfs/dbraw/zinc/52/57/81/925525781.db2.gz CEMIDCSTHYTHBJ-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001407838241 925528143 /nfs/dbraw/zinc/52/81/43/925528143.db2.gz LEUJPODTGJGUHT-VHSXEESVSA-N 1 1 310.358 -1.572 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001407821602 925528240 /nfs/dbraw/zinc/52/82/40/925528240.db2.gz CDFGEEMGESLOBO-GFCCVEGCSA-N 1 1 307.354 -1.070 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001407821701 925528584 /nfs/dbraw/zinc/52/85/84/925528584.db2.gz CNJNRVKWIYZCLP-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001407821693 925528796 /nfs/dbraw/zinc/52/87/96/925528796.db2.gz CNJNRVKWIYZCLP-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001407871304 925531299 /nfs/dbraw/zinc/53/12/99/925531299.db2.gz PZXHKQDHFRDNQS-RYUDHWBXSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001407871304 925531308 /nfs/dbraw/zinc/53/13/08/925531308.db2.gz PZXHKQDHFRDNQS-RYUDHWBXSA-N 1 1 324.385 -1.182 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001407853302 925531579 /nfs/dbraw/zinc/53/15/79/925531579.db2.gz RFGRPAAFDJKDDA-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001407871298 925531954 /nfs/dbraw/zinc/53/19/54/925531954.db2.gz PZXHKQDHFRDNQS-NEPJUHHUSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001407871298 925531965 /nfs/dbraw/zinc/53/19/65/925531965.db2.gz PZXHKQDHFRDNQS-NEPJUHHUSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001407871307 925532115 /nfs/dbraw/zinc/53/21/15/925532115.db2.gz PZXHKQDHFRDNQS-VXGBXAGGSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001407871307 925532124 /nfs/dbraw/zinc/53/21/24/925532124.db2.gz PZXHKQDHFRDNQS-VXGBXAGGSA-N 1 1 324.385 -1.182 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001407878341 925533242 /nfs/dbraw/zinc/53/32/42/925533242.db2.gz FLTUGEUFNWUAAV-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001407932451 925535252 /nfs/dbraw/zinc/53/52/52/925535252.db2.gz WZLLPTRSLXEHCU-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCNC(N)=O)O2 ZINC001407960836 925535533 /nfs/dbraw/zinc/53/55/33/925535533.db2.gz BIESHHILQKPYLR-QWRGUYRKSA-N 1 1 314.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001407911810 925535564 /nfs/dbraw/zinc/53/55/64/925535564.db2.gz IXPDQOAAASZIJJ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001407932458 925535762 /nfs/dbraw/zinc/53/57/62/925535762.db2.gz WZLLPTRSLXEHCU-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001407917293 925535965 /nfs/dbraw/zinc/53/59/65/925535965.db2.gz LABQZNDHUKGWLL-BDAKNGLRSA-N 1 1 313.358 -1.917 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001408038754 925541183 /nfs/dbraw/zinc/54/11/83/925541183.db2.gz FYSPAWCKLQJSFP-IAZYJMLFSA-N 1 1 321.385 -1.262 20 0 DAADMO CNC(=O)CN[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001408047309 925542561 /nfs/dbraw/zinc/54/25/61/925542561.db2.gz ILWGKWXBGYMPII-CQSZACIVSA-N 1 1 300.403 -1.373 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001408106541 925547403 /nfs/dbraw/zinc/54/74/03/925547403.db2.gz OGGMKNBJEQNWAW-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001408106541 925547405 /nfs/dbraw/zinc/54/74/05/925547405.db2.gz OGGMKNBJEQNWAW-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113634 925547632 /nfs/dbraw/zinc/54/76/32/925547632.db2.gz XCQAXDYAVQFGAI-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113634 925547640 /nfs/dbraw/zinc/54/76/40/925547640.db2.gz XCQAXDYAVQFGAI-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131275 925549711 /nfs/dbraw/zinc/54/97/11/925549711.db2.gz FRIGBFDGLXIXBG-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131275 925549716 /nfs/dbraw/zinc/54/97/16/925549716.db2.gz FRIGBFDGLXIXBG-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131269 925549962 /nfs/dbraw/zinc/54/99/62/925549962.db2.gz FRIGBFDGLXIXBG-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131269 925549968 /nfs/dbraw/zinc/54/99/68/925549968.db2.gz FRIGBFDGLXIXBG-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H]([NH2+]CC1(O)CCN(C(=O)CCc2c[nH]nn2)CC1)C(N)=O ZINC001408152097 925550917 /nfs/dbraw/zinc/55/09/17/925550917.db2.gz GKAZLJDQQCUVGU-SNVBAGLBSA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@@H]([NH2+]CC1(O)CCN(C(=O)CCc2cnn[nH]2)CC1)C(N)=O ZINC001408152097 925550921 /nfs/dbraw/zinc/55/09/21/925550921.db2.gz GKAZLJDQQCUVGU-SNVBAGLBSA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@H]([NH2+]CC1(O)CCN(C(=O)CCc2c[nH]nn2)CC1)C(N)=O ZINC001408152095 925551303 /nfs/dbraw/zinc/55/13/03/925551303.db2.gz GKAZLJDQQCUVGU-JTQLQIEISA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@H]([NH2+]CC1(O)CCN(C(=O)CCc2cnn[nH]2)CC1)C(N)=O ZINC001408152095 925551308 /nfs/dbraw/zinc/55/13/08/925551308.db2.gz GKAZLJDQQCUVGU-JTQLQIEISA-N 1 1 324.385 -1.446 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001408147009 925551819 /nfs/dbraw/zinc/55/18/19/925551819.db2.gz SARKHNLQIROMKF-LLVKDONJSA-N 1 1 323.353 -1.209 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001408163295 925553214 /nfs/dbraw/zinc/55/32/14/925553214.db2.gz AFJZTQMHXCIWJD-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001408163295 925553220 /nfs/dbraw/zinc/55/32/20/925553220.db2.gz AFJZTQMHXCIWJD-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001408165462 925553496 /nfs/dbraw/zinc/55/34/96/925553496.db2.gz NLHLXMPPWLFCBP-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001408165462 925553503 /nfs/dbraw/zinc/55/35/03/925553503.db2.gz NLHLXMPPWLFCBP-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408192629 925554189 /nfs/dbraw/zinc/55/41/89/925554189.db2.gz CQHHWRALQRRQJP-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186178 925554864 /nfs/dbraw/zinc/55/48/64/925554864.db2.gz WTQYRKKBHANHNH-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186178 925554868 /nfs/dbraw/zinc/55/48/68/925554868.db2.gz WTQYRKKBHANHNH-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408193426 925555241 /nfs/dbraw/zinc/55/52/41/925555241.db2.gz FACPEQXMDPMNAF-UWVGGRQHSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408193426 925555246 /nfs/dbraw/zinc/55/52/46/925555246.db2.gz FACPEQXMDPMNAF-UWVGGRQHSA-N 1 1 315.374 -2.133 20 0 DAADMO C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)CCS(C)(=O)=O)CC1 ZINC001408279587 925560884 /nfs/dbraw/zinc/56/08/84/925560884.db2.gz VKOSOCZAUPTZSR-LLVKDONJSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2n[nH]cc2F)CC1 ZINC001408279710 925561246 /nfs/dbraw/zinc/56/12/46/925561246.db2.gz OSOKEGAPDQDDDS-MRVPVSSYSA-N 1 1 313.333 -1.021 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cc(C)cn2)CC1 ZINC001408269936 925562057 /nfs/dbraw/zinc/56/20/57/925562057.db2.gz ROJMONKVBAAMMH-UHFFFAOYSA-N 1 1 323.397 -1.119 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CN=NC1=O ZINC001408331323 925564651 /nfs/dbraw/zinc/56/46/51/925564651.db2.gz KTVZSUIIMYCESF-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324705 925564719 /nfs/dbraw/zinc/56/47/19/925564719.db2.gz DAKQOSZQBBKWSC-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324705 925564724 /nfs/dbraw/zinc/56/47/24/925564724.db2.gz DAKQOSZQBBKWSC-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001408334413 925565634 /nfs/dbraw/zinc/56/56/34/925565634.db2.gz IUFWSWLNBKYZEJ-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001408334413 925565639 /nfs/dbraw/zinc/56/56/39/925565639.db2.gz IUFWSWLNBKYZEJ-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408350790 925566424 /nfs/dbraw/zinc/56/64/24/925566424.db2.gz ZBJCJULPKNMTJJ-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408438608 925570208 /nfs/dbraw/zinc/57/02/08/925570208.db2.gz KEMQNLCNUUMRRW-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408438608 925570214 /nfs/dbraw/zinc/57/02/14/925570214.db2.gz KEMQNLCNUUMRRW-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001408520048 925574612 /nfs/dbraw/zinc/57/46/12/925574612.db2.gz USGIKCJABDMJSZ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cn1cnnn1 ZINC001408542452 925575637 /nfs/dbraw/zinc/57/56/37/925575637.db2.gz QZVVVWALQDMESO-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cn1cnnn1 ZINC001408542452 925575642 /nfs/dbraw/zinc/57/56/42/925575642.db2.gz QZVVVWALQDMESO-JTQLQIEISA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1COCCO1 ZINC001408542273 925575652 /nfs/dbraw/zinc/57/56/52/925575652.db2.gz KTEWNSTXUHGABT-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1COCCO1 ZINC001408542273 925575658 /nfs/dbraw/zinc/57/56/58/925575658.db2.gz KTEWNSTXUHGABT-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(=O)[nH]n1 ZINC001408542732 925576192 /nfs/dbraw/zinc/57/61/92/925576192.db2.gz ZXTQXALJFNNHMU-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(=O)[nH]n1 ZINC001408542732 925576198 /nfs/dbraw/zinc/57/61/98/925576198.db2.gz ZXTQXALJFNNHMU-LLVKDONJSA-N 1 1 323.353 -1.299 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408582766 925579975 /nfs/dbraw/zinc/57/99/75/925579975.db2.gz FAINAOWDPNIRIN-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cn[nH]n2)C1 ZINC001408584238 925580389 /nfs/dbraw/zinc/58/03/89/925580389.db2.gz CCUGCQQDBLPONH-NSHDSACASA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cn[nH]n2)C1 ZINC001408584238 925580393 /nfs/dbraw/zinc/58/03/93/925580393.db2.gz CCUGCQQDBLPONH-NSHDSACASA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)Cn2nccn2)C1 ZINC001408584926 925580504 /nfs/dbraw/zinc/58/05/04/925580504.db2.gz YCVOWTYQNMHIDX-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)Cn2nccn2)C1 ZINC001408584926 925580510 /nfs/dbraw/zinc/58/05/10/925580510.db2.gz YCVOWTYQNMHIDX-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001408633240 925583908 /nfs/dbraw/zinc/58/39/08/925583908.db2.gz HTGKEGPBGHFELO-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CNC(=O)N1 ZINC001408633444 925584215 /nfs/dbraw/zinc/58/42/15/925584215.db2.gz NQNUALPLAYZXOH-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001408633443 925584296 /nfs/dbraw/zinc/58/42/96/925584296.db2.gz NQNUALPLAYZXOH-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408670520 925589211 /nfs/dbraw/zinc/58/92/11/925589211.db2.gz PPBJXEFCUQLKOA-LLVKDONJSA-N 1 1 323.353 -1.711 20 0 DAADMO CN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408670520 925589219 /nfs/dbraw/zinc/58/92/19/925589219.db2.gz PPBJXEFCUQLKOA-LLVKDONJSA-N 1 1 323.353 -1.711 20 0 DAADMO CCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408721421 925591986 /nfs/dbraw/zinc/59/19/86/925591986.db2.gz MCSURKRCTQDMKL-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408747258 925594416 /nfs/dbraw/zinc/59/44/16/925594416.db2.gz IQHIMQPNYKAIOZ-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001409029734 925603479 /nfs/dbraw/zinc/60/34/79/925603479.db2.gz KOARDXTVOAXRAW-LBPRGKRZSA-N 1 1 312.370 -1.878 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001409029734 925603480 /nfs/dbraw/zinc/60/34/80/925603480.db2.gz KOARDXTVOAXRAW-LBPRGKRZSA-N 1 1 312.370 -1.878 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CS(C)(=O)=O)C1 ZINC001409033771 925604598 /nfs/dbraw/zinc/60/45/98/925604598.db2.gz FZQYGKGIPMURHS-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001409048491 925606534 /nfs/dbraw/zinc/60/65/34/925606534.db2.gz ARUYMQLAVQZVCW-UHFFFAOYSA-N 1 1 308.342 -1.402 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001409066503 925610891 /nfs/dbraw/zinc/61/08/91/925610891.db2.gz AYDYBIMORZXGOC-LLVKDONJSA-N 1 1 309.370 -1.521 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001409121411 925617617 /nfs/dbraw/zinc/61/76/17/925617617.db2.gz WOABCSUCHOEQCO-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001409142783 925619138 /nfs/dbraw/zinc/61/91/38/925619138.db2.gz WETICVTVGDEUDH-LLVKDONJSA-N 1 1 320.353 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001409149342 925620580 /nfs/dbraw/zinc/62/05/80/925620580.db2.gz DAHMTXXEXOTCDB-UHFFFAOYSA-N 1 1 309.374 -1.262 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001409164903 925622150 /nfs/dbraw/zinc/62/21/50/925622150.db2.gz FJBJZXPZDQNWKV-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001409193073 925624005 /nfs/dbraw/zinc/62/40/05/925624005.db2.gz CFOKZYRGDPCZMD-SDDRHHMPSA-N 1 1 323.397 -1.180 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409229719 925626008 /nfs/dbraw/zinc/62/60/08/925626008.db2.gz LUXGQQDDZHKGCW-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409284061 925627727 /nfs/dbraw/zinc/62/77/27/925627727.db2.gz FPUFMBCCNBQWHA-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409286864 925627865 /nfs/dbraw/zinc/62/78/65/925627865.db2.gz IPDDWTTVNPJBKI-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001409272091 925628126 /nfs/dbraw/zinc/62/81/26/925628126.db2.gz FUSPUOOEENXWFK-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001409272091 925628133 /nfs/dbraw/zinc/62/81/33/925628133.db2.gz FUSPUOOEENXWFK-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409315518 925629762 /nfs/dbraw/zinc/62/97/62/925629762.db2.gz NPSMLTIZNFBALU-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001409373033 925631065 /nfs/dbraw/zinc/63/10/65/925631065.db2.gz OWFBGOYNJRMYFR-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409352968 925631416 /nfs/dbraw/zinc/63/14/16/925631416.db2.gz JJVOKGCAXIXNGR-VHSXEESVSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1nncn1C ZINC001409371343 925631551 /nfs/dbraw/zinc/63/15/51/925631551.db2.gz OLDQFJSJCINCEW-UWVGGRQHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409503455 925634833 /nfs/dbraw/zinc/63/48/33/925634833.db2.gz IMGBJHOJMAQZDP-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409503455 925634839 /nfs/dbraw/zinc/63/48/39/925634839.db2.gz IMGBJHOJMAQZDP-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001409559280 925635027 /nfs/dbraw/zinc/63/50/27/925635027.db2.gz UDJGNURWKYLQEW-SNVBAGLBSA-N 1 1 312.374 -1.279 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001409559280 925635037 /nfs/dbraw/zinc/63/50/37/925635037.db2.gz UDJGNURWKYLQEW-SNVBAGLBSA-N 1 1 312.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@H+](C)CCNS(C)(=O)=O ZINC001409550008 925635440 /nfs/dbraw/zinc/63/54/40/925635440.db2.gz XHXDORSWEIRCEU-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)CCNS(C)(=O)=O ZINC001409550008 925635449 /nfs/dbraw/zinc/63/54/49/925635449.db2.gz XHXDORSWEIRCEU-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001409533914 925636070 /nfs/dbraw/zinc/63/60/70/925636070.db2.gz IVZPDGZHKGDNPR-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001409533914 925636076 /nfs/dbraw/zinc/63/60/76/925636076.db2.gz IVZPDGZHKGDNPR-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001409487719 925636413 /nfs/dbraw/zinc/63/64/13/925636413.db2.gz AIEVSUYZEUEHEX-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001409487719 925636417 /nfs/dbraw/zinc/63/64/17/925636417.db2.gz AIEVSUYZEUEHEX-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001409602373 925637543 /nfs/dbraw/zinc/63/75/43/925637543.db2.gz RQDTVEMNXXLMFO-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001409602373 925637548 /nfs/dbraw/zinc/63/75/48/925637548.db2.gz RQDTVEMNXXLMFO-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001409602372 925637688 /nfs/dbraw/zinc/63/76/88/925637688.db2.gz RQDTVEMNXXLMFO-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001409602372 925637692 /nfs/dbraw/zinc/63/76/92/925637692.db2.gz RQDTVEMNXXLMFO-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cncn1C ZINC001409570935 925638289 /nfs/dbraw/zinc/63/82/89/925638289.db2.gz CSKOAVOFKCSSGS-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1cncn1C ZINC001409570935 925638296 /nfs/dbraw/zinc/63/82/96/925638296.db2.gz CSKOAVOFKCSSGS-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@H+](C)CCF ZINC001409578297 925638481 /nfs/dbraw/zinc/63/84/81/925638481.db2.gz RKIOSRWGINLYLV-JTQLQIEISA-N 1 1 300.334 -1.047 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@@H+](C)CCF ZINC001409578297 925638485 /nfs/dbraw/zinc/63/84/85/925638485.db2.gz RKIOSRWGINLYLV-JTQLQIEISA-N 1 1 300.334 -1.047 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001409601402 925638684 /nfs/dbraw/zinc/63/86/84/925638684.db2.gz IEMLIEAGVMWGRT-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001409601402 925638690 /nfs/dbraw/zinc/63/86/90/925638690.db2.gz IEMLIEAGVMWGRT-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001409578102 925638787 /nfs/dbraw/zinc/63/87/87/925638787.db2.gz JDQXFUACOKLTSN-NXEZZACHSA-N 1 1 312.374 -1.718 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001409609095 925639321 /nfs/dbraw/zinc/63/93/21/925639321.db2.gz LBMCXCBMTFEREC-UXCLJVHYSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001409609095 925639326 /nfs/dbraw/zinc/63/93/26/925639326.db2.gz LBMCXCBMTFEREC-UXCLJVHYSA-N 1 1 312.370 -1.229 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409616330 925639445 /nfs/dbraw/zinc/63/94/45/925639445.db2.gz DBBBYJHFAALNJJ-BDAKNGLRSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409616330 925639452 /nfs/dbraw/zinc/63/94/52/925639452.db2.gz DBBBYJHFAALNJJ-BDAKNGLRSA-N 1 1 321.403 -2.347 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccncn1 ZINC001409634289 925639638 /nfs/dbraw/zinc/63/96/38/925639638.db2.gz ZTOIWCVSMNNCHS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccncn1 ZINC001409634289 925639645 /nfs/dbraw/zinc/63/96/45/925639645.db2.gz ZTOIWCVSMNNCHS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001409623662 925640565 /nfs/dbraw/zinc/64/05/65/925640565.db2.gz GOHLDSDRTYCSAS-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001409623662 925640566 /nfs/dbraw/zinc/64/05/66/925640566.db2.gz GOHLDSDRTYCSAS-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001409609400 925640610 /nfs/dbraw/zinc/64/06/10/925640610.db2.gz CUYYWBQEXFIGOP-QWRGUYRKSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001409609400 925640614 /nfs/dbraw/zinc/64/06/14/925640614.db2.gz CUYYWBQEXFIGOP-QWRGUYRKSA-N 1 1 323.401 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1ccnc2c1nnn2C)[N@H+](C)CC(N)=O ZINC001409626126 925640631 /nfs/dbraw/zinc/64/06/31/925640631.db2.gz LZBZYTPQXZZAFJ-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](CNC(=O)c1ccnc2c1nnn2C)[N@@H+](C)CC(N)=O ZINC001409626126 925640636 /nfs/dbraw/zinc/64/06/36/925640636.db2.gz LZBZYTPQXZZAFJ-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001409623631 925640771 /nfs/dbraw/zinc/64/07/71/925640771.db2.gz GOHLDSDRTYCSAS-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001409623631 925640776 /nfs/dbraw/zinc/64/07/76/925640776.db2.gz GOHLDSDRTYCSAS-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409689039 925644178 /nfs/dbraw/zinc/64/41/78/925644178.db2.gz OPHFEJJBYDDSOJ-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409689029 925644513 /nfs/dbraw/zinc/64/45/13/925644513.db2.gz OPHFEJJBYDDSOJ-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)C[NH+]1CC(CCO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001409738265 925648772 /nfs/dbraw/zinc/64/87/72/925648772.db2.gz MFGAEKFCKCCZOI-UHFFFAOYSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](CC[C@@H]3CCCO3)C2)n1 ZINC001409740822 925649538 /nfs/dbraw/zinc/64/95/38/925649538.db2.gz LTFYJRVFBHVKNW-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)[N@H+](C)CCF ZINC001409766512 925652286 /nfs/dbraw/zinc/65/22/86/925652286.db2.gz UPPJMQNKQBEBLH-ZJUUUORDSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)[N@@H+](C)CCF ZINC001409766512 925652295 /nfs/dbraw/zinc/65/22/95/925652295.db2.gz UPPJMQNKQBEBLH-ZJUUUORDSA-N 1 1 315.353 -1.416 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)COC)C1 ZINC001409832272 925652746 /nfs/dbraw/zinc/65/27/46/925652746.db2.gz FCJHHEXELNACEN-IUCAKERBSA-N 1 1 300.359 -1.087 20 0 DAADMO COCC(=O)N[C@@H](C)C1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001409838138 925653981 /nfs/dbraw/zinc/65/39/81/925653981.db2.gz KCMCTEBQZIKRJS-JTQLQIEISA-N 1 1 324.381 -1.333 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409934821 925656123 /nfs/dbraw/zinc/65/61/23/925656123.db2.gz VQXYLJCULIMXOH-BXKDBHETSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001409937327 925656797 /nfs/dbraw/zinc/65/67/97/925656797.db2.gz XFZUSVVRLYDROJ-DTWKUNHWSA-N 1 1 310.358 -2.108 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC001409966059 925658789 /nfs/dbraw/zinc/65/87/89/925658789.db2.gz BZVBOXDUCVSUPP-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001409977672 925660890 /nfs/dbraw/zinc/66/08/90/925660890.db2.gz LQZBQQPLQPSZEX-IUCAKERBSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001409977668 925660940 /nfs/dbraw/zinc/66/09/40/925660940.db2.gz LQZBQQPLQPSZEX-DTWKUNHWSA-N 1 1 324.385 -1.799 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001410023265 925662027 /nfs/dbraw/zinc/66/20/27/925662027.db2.gz ATHUMZODIMWCSF-XWLWVQCSSA-N 1 1 312.370 -1.229 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNC(=O)C(F)F ZINC001410045452 925665626 /nfs/dbraw/zinc/66/56/26/925665626.db2.gz DUXYOEWYNVPTLL-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001410051432 925666792 /nfs/dbraw/zinc/66/67/92/925666792.db2.gz KBPAXBAFXHPSQN-NWDGAFQWSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001410051479 925667007 /nfs/dbraw/zinc/66/70/07/925667007.db2.gz KBPAXBAFXHPSQN-VXGBXAGGSA-N 1 1 309.370 -1.279 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056049 925667458 /nfs/dbraw/zinc/66/74/58/925667458.db2.gz QOHIELWEPKYIDI-DGCLKSJQSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056049 925667466 /nfs/dbraw/zinc/66/74/66/925667466.db2.gz QOHIELWEPKYIDI-DGCLKSJQSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056128 925667734 /nfs/dbraw/zinc/66/77/34/925667734.db2.gz QOHIELWEPKYIDI-YPMHNXCESA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056128 925667740 /nfs/dbraw/zinc/66/77/40/925667740.db2.gz QOHIELWEPKYIDI-YPMHNXCESA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)n1 ZINC001410060033 925669124 /nfs/dbraw/zinc/66/91/24/925669124.db2.gz WYQQSHRPTGLDOA-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)n1 ZINC001410060033 925669133 /nfs/dbraw/zinc/66/91/33/925669133.db2.gz WYQQSHRPTGLDOA-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001410066269 925670997 /nfs/dbraw/zinc/67/09/97/925670997.db2.gz VTISECIATDUWID-RVMXOQNASA-N 1 1 308.382 -1.305 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001410073414 925672558 /nfs/dbraw/zinc/67/25/58/925672558.db2.gz WCVXHGAFZHBKFU-YPMHNXCESA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001410078609 925673996 /nfs/dbraw/zinc/67/39/96/925673996.db2.gz ACNTUXZIJGTLGV-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)[nH]1 ZINC001410079071 925674050 /nfs/dbraw/zinc/67/40/50/925674050.db2.gz MYOHMJUGTHVISL-WKJUBOCMSA-N 1 1 306.370 -1.177 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC001410079071 925674055 /nfs/dbraw/zinc/67/40/55/925674055.db2.gz MYOHMJUGTHVISL-WKJUBOCMSA-N 1 1 306.370 -1.177 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC001410079071 925674063 /nfs/dbraw/zinc/67/40/63/925674063.db2.gz MYOHMJUGTHVISL-WKJUBOCMSA-N 1 1 306.370 -1.177 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001410083214 925675041 /nfs/dbraw/zinc/67/50/41/925675041.db2.gz IQGJBNAHGWWBBY-ONGXEEELSA-N 1 1 310.358 -1.884 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001410085417 925676205 /nfs/dbraw/zinc/67/62/05/925676205.db2.gz LVDUXOVDKSHBFG-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCNC(N)=O ZINC001410088686 925676950 /nfs/dbraw/zinc/67/69/50/925676950.db2.gz MVJPRANIAAKJFO-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1cncnc1 ZINC001410087017 925677222 /nfs/dbraw/zinc/67/72/22/925677222.db2.gz LLXXHYRZWXYEDE-OLZOCXBDSA-N 1 1 321.381 -1.293 20 0 DAADMO CCOCC(=O)NC[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001410085411 925677359 /nfs/dbraw/zinc/67/73/59/925677359.db2.gz LVDUXOVDKSHBFG-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001410094713 925677955 /nfs/dbraw/zinc/67/79/55/925677955.db2.gz XNJNBDKHEFEMPM-RTCCRHLQSA-N 1 1 306.370 -1.304 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001410094713 925677965 /nfs/dbraw/zinc/67/79/65/925677965.db2.gz XNJNBDKHEFEMPM-RTCCRHLQSA-N 1 1 306.370 -1.304 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3n[nH]c(C)n3)[C@@H]2C1 ZINC001410094713 925677972 /nfs/dbraw/zinc/67/79/72/925677972.db2.gz XNJNBDKHEFEMPM-RTCCRHLQSA-N 1 1 306.370 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001410090221 925678621 /nfs/dbraw/zinc/67/86/21/925678621.db2.gz VBNYAQQTFRGGKY-LLVKDONJSA-N 1 1 315.370 -1.192 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ccnnc1 ZINC001410098535 925679487 /nfs/dbraw/zinc/67/94/87/925679487.db2.gz VYPZJDQDTOZTBX-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001410101943 925682126 /nfs/dbraw/zinc/68/21/26/925682126.db2.gz FKWRGNAAXQQQGX-KKOKHZNYSA-N 1 1 309.370 -1.743 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001410105390 925683679 /nfs/dbraw/zinc/68/36/79/925683679.db2.gz PFWQNSGXRCQWIS-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001410108894 925684490 /nfs/dbraw/zinc/68/44/90/925684490.db2.gz QJCAPBYAPWQNIH-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001410117946 925687207 /nfs/dbraw/zinc/68/72/07/925687207.db2.gz SXLGAPBQMQXEKR-RTCCRHLQSA-N 1 1 320.415 -2.019 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001410120785 925688251 /nfs/dbraw/zinc/68/82/51/925688251.db2.gz INJGDXDXPWYWHD-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001410125966 925688627 /nfs/dbraw/zinc/68/86/27/925688627.db2.gz PQPDILNBAQSMPS-VIFPVBQESA-N 1 1 322.329 -2.378 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001410120793 925689329 /nfs/dbraw/zinc/68/93/29/925689329.db2.gz INJGDXDXPWYWHD-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC(O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410137873 925692592 /nfs/dbraw/zinc/69/25/92/925692592.db2.gz GNUMDVBCOODMIQ-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC(O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410137873 925692602 /nfs/dbraw/zinc/69/26/02/925692602.db2.gz GNUMDVBCOODMIQ-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001410136244 925693187 /nfs/dbraw/zinc/69/31/87/925693187.db2.gz QLNFFYYCOOOZNJ-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001410145785 925694800 /nfs/dbraw/zinc/69/48/00/925694800.db2.gz NNSOZWZAQIXRJM-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001410140962 925694934 /nfs/dbraw/zinc/69/49/34/925694934.db2.gz UAAQPSLSJCMXKF-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140962 925694939 /nfs/dbraw/zinc/69/49/39/925694939.db2.gz UAAQPSLSJCMXKF-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140962 925694944 /nfs/dbraw/zinc/69/49/44/925694944.db2.gz UAAQPSLSJCMXKF-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140962 925694948 /nfs/dbraw/zinc/69/49/48/925694948.db2.gz UAAQPSLSJCMXKF-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140962 925694952 /nfs/dbraw/zinc/69/49/52/925694952.db2.gz UAAQPSLSJCMXKF-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001410149091 925695620 /nfs/dbraw/zinc/69/56/20/925695620.db2.gz QHWGGFDJUHUSHV-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001410149072 925695889 /nfs/dbraw/zinc/69/58/89/925695889.db2.gz QHWGGFDJUHUSHV-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410150678 925696444 /nfs/dbraw/zinc/69/64/44/925696444.db2.gz ZRAGFEJRPHFZOW-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001410159353 925697580 /nfs/dbraw/zinc/69/75/80/925697580.db2.gz NNZNXMSNCKGJAC-KYXWUPHJSA-N 1 1 318.399 -2.297 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001410176029 925699412 /nfs/dbraw/zinc/69/94/12/925699412.db2.gz MHKOBWRJVIMGBR-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001410176029 925699416 /nfs/dbraw/zinc/69/94/16/925699416.db2.gz MHKOBWRJVIMGBR-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001410170049 925699429 /nfs/dbraw/zinc/69/94/29/925699429.db2.gz JGKWVMPVWMIPIN-UHFFFAOYSA-N 1 1 320.415 -2.043 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001410189660 925700918 /nfs/dbraw/zinc/70/09/18/925700918.db2.gz BODZXHFKKRKOIH-XYPYZODXSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001410190345 925700942 /nfs/dbraw/zinc/70/09/42/925700942.db2.gz ZRHCKLPTHOVHEF-GUBZILKMSA-N 1 1 324.389 -1.359 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001410222089 925704957 /nfs/dbraw/zinc/70/49/57/925704957.db2.gz KIDIPHOSCVDANB-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cn(C)nn2)C1 ZINC001410222089 925704966 /nfs/dbraw/zinc/70/49/66/925704966.db2.gz KIDIPHOSCVDANB-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001410259605 925705856 /nfs/dbraw/zinc/70/58/56/925705856.db2.gz NABJDJAVWSWHAW-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001410262489 925706134 /nfs/dbraw/zinc/70/61/34/925706134.db2.gz YNTHDRHASLBNRH-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001410311500 925709651 /nfs/dbraw/zinc/70/96/51/925709651.db2.gz LOQGDLYJSKHRNZ-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410336206 925710686 /nfs/dbraw/zinc/71/06/86/925710686.db2.gz WYNBDFGSPMIBCR-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410336206 925710694 /nfs/dbraw/zinc/71/06/94/925710694.db2.gz WYNBDFGSPMIBCR-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410337080 925711635 /nfs/dbraw/zinc/71/16/35/925711635.db2.gz KFWMCICYLZFMSA-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410337080 925711644 /nfs/dbraw/zinc/71/16/44/925711644.db2.gz KFWMCICYLZFMSA-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410336228 925711784 /nfs/dbraw/zinc/71/17/84/925711784.db2.gz WYNBDFGSPMIBCR-GARJFASQSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410336228 925711791 /nfs/dbraw/zinc/71/17/91/925711791.db2.gz WYNBDFGSPMIBCR-GARJFASQSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001410356693 925713378 /nfs/dbraw/zinc/71/33/78/925713378.db2.gz TZXWJSBXLBNFHJ-GXSJLCMTSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001410356693 925713381 /nfs/dbraw/zinc/71/33/81/925713381.db2.gz TZXWJSBXLBNFHJ-GXSJLCMTSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001410374379 925715067 /nfs/dbraw/zinc/71/50/67/925715067.db2.gz CPCPPKWRPBSHBT-JTQLQIEISA-N 1 1 311.342 -1.135 20 0 DAADMO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001410430390 925718940 /nfs/dbraw/zinc/71/89/40/925718940.db2.gz PYVMTKPRYRFGOJ-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001410541430 925725502 /nfs/dbraw/zinc/72/55/02/925725502.db2.gz BXLPSTGCCKJWMD-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1conc1C ZINC001410578470 925730551 /nfs/dbraw/zinc/73/05/51/925730551.db2.gz JGOCGSSOHKHHPQ-SNVBAGLBSA-N 1 1 300.315 -1.094 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1)C1CCC1 ZINC001410582803 925732079 /nfs/dbraw/zinc/73/20/79/925732079.db2.gz CJJGNJBMTNJNTB-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410581374 925733192 /nfs/dbraw/zinc/73/31/92/925733192.db2.gz MLZTYAVMJAGLEV-WDEREUQCSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410581374 925733197 /nfs/dbraw/zinc/73/31/97/925733197.db2.gz MLZTYAVMJAGLEV-WDEREUQCSA-N 1 1 312.374 -2.288 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001410582415 925733346 /nfs/dbraw/zinc/73/33/46/925733346.db2.gz NWZRXOGVGRNCLY-SECBINFHSA-N 1 1 313.383 -1.369 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410581366 925733660 /nfs/dbraw/zinc/73/36/60/925733660.db2.gz MLZTYAVMJAGLEV-QWRGUYRKSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410581366 925733665 /nfs/dbraw/zinc/73/36/65/925733665.db2.gz MLZTYAVMJAGLEV-QWRGUYRKSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001410604985 925738829 /nfs/dbraw/zinc/73/88/29/925738829.db2.gz XSNMSLLBKLVRDZ-AAEUAGOBSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001410627641 925742822 /nfs/dbraw/zinc/74/28/22/925742822.db2.gz GRLFHEBUQUOUKU-MWLCHTKSSA-N 1 1 309.326 -1.540 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001410637226 925744424 /nfs/dbraw/zinc/74/44/24/925744424.db2.gz MMCPPDVOFAPBQD-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CN(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)C(=O)C1CC1 ZINC001410646546 925746231 /nfs/dbraw/zinc/74/62/31/925746231.db2.gz KMYBEDKZVNXLBT-ZDUSSCGKSA-N 1 1 323.397 -1.145 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)n1 ZINC001410648079 925746416 /nfs/dbraw/zinc/74/64/16/925746416.db2.gz SMPCQDJUIBNIPX-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C1(F)CCOCC1 ZINC001410645606 925746651 /nfs/dbraw/zinc/74/66/51/925746651.db2.gz GRRARWGQOZLWCX-JTQLQIEISA-N 1 1 315.349 -1.100 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001410664476 925752403 /nfs/dbraw/zinc/75/24/03/925752403.db2.gz ASLIALDLSIHPHA-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001410670350 925753203 /nfs/dbraw/zinc/75/32/03/925753203.db2.gz PIZWGRNGGVJZBM-MNOVXSKESA-N 1 1 309.370 -1.487 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)N[C@@H]2CCCNC2=O)CCC1 ZINC001410665107 925754552 /nfs/dbraw/zinc/75/45/52/925754552.db2.gz WTWHRZOJCIYHSZ-VXGBXAGGSA-N 1 1 312.414 -1.184 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001410683426 925756182 /nfs/dbraw/zinc/75/61/82/925756182.db2.gz IFTHBZNXIQLAGI-SECBINFHSA-N 1 1 321.337 -1.008 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001410676217 925756292 /nfs/dbraw/zinc/75/62/92/925756292.db2.gz XKAAVSPWZVVIHU-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001410676207 925756536 /nfs/dbraw/zinc/75/65/36/925756536.db2.gz KRBDMPKNPNUHET-JSGCOSHPSA-N 1 1 314.430 -1.128 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001410679567 925756597 /nfs/dbraw/zinc/75/65/97/925756597.db2.gz OCWNZKQXRGJXDC-WDEREUQCSA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001410682246 925756638 /nfs/dbraw/zinc/75/66/38/925756638.db2.gz PQGUKVVUNMSDTD-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1cnn[nH]1 ZINC001410683917 925757465 /nfs/dbraw/zinc/75/74/65/925757465.db2.gz FXHAWISMYZSQMB-IUCAKERBSA-N 1 1 306.330 -1.736 20 0 DAADMO COc1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nc1 ZINC001410684385 925758352 /nfs/dbraw/zinc/75/83/52/925758352.db2.gz JQQVEWMJKFELBO-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001410706618 925761720 /nfs/dbraw/zinc/76/17/20/925761720.db2.gz IBCRYQNZXLJLPS-QWRGUYRKSA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410703615 925762140 /nfs/dbraw/zinc/76/21/40/925762140.db2.gz DAEJADSUWCFWJI-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001410712673 925763023 /nfs/dbraw/zinc/76/30/23/925763023.db2.gz OGZGZQOFEFRODF-NXEZZACHSA-N 1 1 316.383 -1.171 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)N[C@H](C)c1nnnn1C ZINC001410714194 925763243 /nfs/dbraw/zinc/76/32/43/925763243.db2.gz ZTSPTVREJHACGR-GHMZBOCLSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)N[C@H](C)c1nnnn1C ZINC001410714210 925765311 /nfs/dbraw/zinc/76/53/11/925765311.db2.gz ZTSPTVREJHACGR-MNOVXSKESA-N 1 1 322.373 -1.457 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)c1 ZINC001410748097 925772289 /nfs/dbraw/zinc/77/22/89/925772289.db2.gz FTHIRKKHSSDMLV-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410763009 925773561 /nfs/dbraw/zinc/77/35/61/925773561.db2.gz BYPPINCHNZTFHG-SNVBAGLBSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)COc1cccnc1 ZINC001410764243 925774232 /nfs/dbraw/zinc/77/42/32/925774232.db2.gz DOKNHUVMKXDVDS-NSHDSACASA-N 1 1 320.353 -1.144 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001410757942 925774400 /nfs/dbraw/zinc/77/44/00/925774400.db2.gz VGRAXKYBMHWSAG-DTWKUNHWSA-N 1 1 303.363 -2.412 20 0 DAADMO O=C(Cn1cncn1)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410779500 925777324 /nfs/dbraw/zinc/77/73/24/925777324.db2.gz KSICHMBLZPMIDQ-GFCCVEGCSA-N 1 1 319.369 -1.312 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001410779380 925777574 /nfs/dbraw/zinc/77/75/74/925777574.db2.gz YFSDZSNBBMHYQX-SNVBAGLBSA-N 1 1 321.341 -1.587 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001410786041 925782131 /nfs/dbraw/zinc/78/21/31/925782131.db2.gz AMKIRAIUISJCJS-NEPJUHHUSA-N 1 1 309.370 -1.252 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C ZINC001410789038 925782518 /nfs/dbraw/zinc/78/25/18/925782518.db2.gz NEHOIARZEKZRCQ-VIFPVBQESA-N 1 1 320.371 -1.901 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)Cn3cncn3)CC2)C1 ZINC001410824454 925785889 /nfs/dbraw/zinc/78/58/89/925785889.db2.gz UWLCJCQKGJBYFI-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CCc2cn(C)nn2)n1 ZINC001410816071 925786940 /nfs/dbraw/zinc/78/69/40/925786940.db2.gz IXOYEFPLISHBIN-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)Cn3cnnn3)CC2)C1 ZINC001410829056 925787790 /nfs/dbraw/zinc/78/77/90/925787790.db2.gz KPGLZHMAYAOTDH-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001410833696 925788501 /nfs/dbraw/zinc/78/85/01/925788501.db2.gz FOSKDJKJGOOFDJ-PSASIEDQSA-N 1 1 308.342 -1.274 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2ccnc2)nn1 ZINC001410830003 925788593 /nfs/dbraw/zinc/78/85/93/925788593.db2.gz YLORJDKKRMOPFT-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC001410895337 925792853 /nfs/dbraw/zinc/79/28/53/925792853.db2.gz JCFAZCHKPIYSRW-PGUXBMHVSA-N 1 1 323.397 -1.083 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001410907698 925793439 /nfs/dbraw/zinc/79/34/39/925793439.db2.gz BPSWQVBUMNYXPL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001410907698 925793444 /nfs/dbraw/zinc/79/34/44/925793444.db2.gz BPSWQVBUMNYXPL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC001410895347 925793888 /nfs/dbraw/zinc/79/38/88/925793888.db2.gz JCFAZCHKPIYSRW-RWSFTLGLSA-N 1 1 323.397 -1.083 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001410895356 925793952 /nfs/dbraw/zinc/79/39/52/925793952.db2.gz JCFAZCHKPIYSRW-ZETOZRRWSA-N 1 1 323.397 -1.083 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001410930703 925794843 /nfs/dbraw/zinc/79/48/43/925794843.db2.gz STRJZFJRTGOKKV-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001410930703 925794849 /nfs/dbraw/zinc/79/48/49/925794849.db2.gz STRJZFJRTGOKKV-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001410930751 925795834 /nfs/dbraw/zinc/79/58/34/925795834.db2.gz STRJZFJRTGOKKV-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001410930751 925795837 /nfs/dbraw/zinc/79/58/37/925795837.db2.gz STRJZFJRTGOKKV-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001410930745 925795962 /nfs/dbraw/zinc/79/59/62/925795962.db2.gz STRJZFJRTGOKKV-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001410930745 925795967 /nfs/dbraw/zinc/79/59/67/925795967.db2.gz STRJZFJRTGOKKV-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001410968946 925796893 /nfs/dbraw/zinc/79/68/93/925796893.db2.gz CUVNOQOPQJZJDH-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccc(=O)[nH]n1 ZINC001410965807 925797187 /nfs/dbraw/zinc/79/71/87/925797187.db2.gz AQQTXCZSLSWKRR-VIFPVBQESA-N 1 1 308.298 -1.212 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001410982821 925798570 /nfs/dbraw/zinc/79/85/70/925798570.db2.gz MWALZJDWQXMFDN-JTQLQIEISA-N 1 1 323.357 -1.167 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001410977802 925798626 /nfs/dbraw/zinc/79/86/26/925798626.db2.gz KCMDGXCFJBREJN-LDYMZIIASA-N 1 1 312.374 -1.453 20 0 DAADMO COCCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001410981859 925798778 /nfs/dbraw/zinc/79/87/78/925798778.db2.gz XXTUDTXYXXJOKY-UWVGGRQHSA-N 1 1 300.363 -1.284 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cc[nH]c(=O)c1 ZINC001410977971 925799453 /nfs/dbraw/zinc/79/94/53/925799453.db2.gz JEWURIGGAVBNNH-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411003410 925800254 /nfs/dbraw/zinc/80/02/54/925800254.db2.gz JHSKQIFLENPGTI-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001410995828 925800837 /nfs/dbraw/zinc/80/08/37/925800837.db2.gz IJDILMMKTQPGNE-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C1=COCCO1 ZINC001410995186 925801560 /nfs/dbraw/zinc/80/15/60/925801560.db2.gz XCCHMOVPRJZYEM-JTQLQIEISA-N 1 1 311.342 -1.388 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC(=O)N(C)C2)[nH]1 ZINC001411044751 925803881 /nfs/dbraw/zinc/80/38/81/925803881.db2.gz PMBVBDUCMYCHDK-WDEREUQCSA-N 1 1 324.385 -1.500 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCc1ccon1 ZINC001411042410 925805761 /nfs/dbraw/zinc/80/57/61/925805761.db2.gz AFYDBWZISDKJFI-LLVKDONJSA-N 1 1 323.357 -1.260 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)no1 ZINC001411062156 925806707 /nfs/dbraw/zinc/80/67/07/925806707.db2.gz IXVHYWUGDHCFEI-NSHDSACASA-N 1 1 309.330 -1.421 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnco1)c1nnnn1C ZINC001411056049 925806826 /nfs/dbraw/zinc/80/68/26/925806826.db2.gz ABJIEFZDKLIQEH-IUCAKERBSA-N 1 1 309.330 -1.018 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001411055340 925807216 /nfs/dbraw/zinc/80/72/16/925807216.db2.gz CNHQSRFQTSBMSG-LBPRGKRZSA-N 1 1 311.342 -1.543 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001411052820 925807475 /nfs/dbraw/zinc/80/74/75/925807475.db2.gz CZNDVZYKSNFXFN-SECBINFHSA-N 1 1 320.353 -1.274 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411078554 925809130 /nfs/dbraw/zinc/80/91/30/925809130.db2.gz RLYQYFMEFNHURB-JTQLQIEISA-N 1 1 322.373 -1.053 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411079526 925809808 /nfs/dbraw/zinc/80/98/08/925809808.db2.gz RXTZWPUNDCTNJH-JTQLQIEISA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)N1C ZINC001411082799 925810003 /nfs/dbraw/zinc/81/00/03/925810003.db2.gz DTVYZIYNYKYWKH-MNOVXSKESA-N 1 1 311.342 -1.401 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)c1c[nH]c(=O)cn1 ZINC001411090929 925811606 /nfs/dbraw/zinc/81/16/06/925811606.db2.gz NXVUCPWMVLGAJB-SNVBAGLBSA-N 1 1 307.310 -1.019 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c2[nH]nnc2C)C1=O ZINC001411087201 925811715 /nfs/dbraw/zinc/81/17/15/925811715.db2.gz YHVOYTPNEWWRKU-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)N1C ZINC001411090880 925812122 /nfs/dbraw/zinc/81/21/22/925812122.db2.gz IZUNAPAIDKADDA-MNOVXSKESA-N 1 1 324.385 -1.655 20 0 DAADMO CCc1ncoc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411100212 925813661 /nfs/dbraw/zinc/81/36/61/925813661.db2.gz PMDYPJCPZJEWGW-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001411107147 925814029 /nfs/dbraw/zinc/81/40/29/925814029.db2.gz XMDAYNRULBWWKG-MXWKQRLJSA-N 1 1 310.358 -2.155 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001411115485 925814194 /nfs/dbraw/zinc/81/41/94/925814194.db2.gz JCZKYIMMEGZOEQ-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001411119531 925814244 /nfs/dbraw/zinc/81/42/44/925814244.db2.gz QZTMVNVQQZSXCC-SNVBAGLBSA-N 1 1 310.314 -1.087 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001411107481 925814382 /nfs/dbraw/zinc/81/43/82/925814382.db2.gz WCIHROKNRGDAOV-MWLCHTKSSA-N 1 1 322.373 -1.354 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001411127607 925815724 /nfs/dbraw/zinc/81/57/24/925815724.db2.gz OQZBBXAPMJEZQI-SECBINFHSA-N 1 1 321.359 -2.472 20 0 DAADMO CN(C[C@H](O)CNCc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411131054 925815921 /nfs/dbraw/zinc/81/59/21/925815921.db2.gz AALCFRUSQADCIX-VXGBXAGGSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn(C)c(=O)n1C ZINC001411132743 925817809 /nfs/dbraw/zinc/81/78/09/925817809.db2.gz VFNDQFSPZMNYPB-JTQLQIEISA-N 1 1 324.341 -1.671 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001411136036 925817841 /nfs/dbraw/zinc/81/78/41/925817841.db2.gz YDVPHBLQTHSEJX-HTQZYQBOSA-N 1 1 324.328 -1.024 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CCc1cn(C)nn1 ZINC001411135448 925818040 /nfs/dbraw/zinc/81/80/40/925818040.db2.gz YUANPFWABPCVGN-LBPRGKRZSA-N 1 1 323.357 -1.260 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001411131556 925818359 /nfs/dbraw/zinc/81/83/59/925818359.db2.gz WQKHFCULEYRSKU-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1)c1nncn1C ZINC001411133734 925819363 /nfs/dbraw/zinc/81/93/63/925819363.db2.gz XOYIXWAITAMFBB-RKDXNWHRSA-N 1 1 309.330 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001411146859 925820329 /nfs/dbraw/zinc/82/03/29/925820329.db2.gz GAUWSXBRYKGWGO-VXGBXAGGSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001411146859 925820341 /nfs/dbraw/zinc/82/03/41/925820341.db2.gz GAUWSXBRYKGWGO-VXGBXAGGSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001411143933 925820739 /nfs/dbraw/zinc/82/07/39/925820739.db2.gz GIZAVHRPYLNPOQ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143933 925820760 /nfs/dbraw/zinc/82/07/60/925820760.db2.gz GIZAVHRPYLNPOQ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143933 925820767 /nfs/dbraw/zinc/82/07/67/925820767.db2.gz GIZAVHRPYLNPOQ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148608 925820847 /nfs/dbraw/zinc/82/08/47/925820847.db2.gz IBQHBQMFDVPUJO-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148608 925820858 /nfs/dbraw/zinc/82/08/58/925820858.db2.gz IBQHBQMFDVPUJO-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148599 925820878 /nfs/dbraw/zinc/82/08/78/925820878.db2.gz IBQHBQMFDVPUJO-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148599 925820883 /nfs/dbraw/zinc/82/08/83/925820883.db2.gz IBQHBQMFDVPUJO-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001411145921 925820978 /nfs/dbraw/zinc/82/09/78/925820978.db2.gz HNAYPYRPGGYXTE-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001411145921 925820986 /nfs/dbraw/zinc/82/09/86/925820986.db2.gz HNAYPYRPGGYXTE-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001411150495 925821001 /nfs/dbraw/zinc/82/10/01/925821001.db2.gz JHVVUCFMLXINTI-SMDDNHRTSA-N 1 1 323.353 -1.143 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148604 925821622 /nfs/dbraw/zinc/82/16/22/925821622.db2.gz IBQHBQMFDVPUJO-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148604 925821630 /nfs/dbraw/zinc/82/16/30/925821630.db2.gz IBQHBQMFDVPUJO-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2c1CC(=O)N2 ZINC001411158792 925821932 /nfs/dbraw/zinc/82/19/32/925821932.db2.gz BMMJUPPQYOLONR-SNVBAGLBSA-N 1 1 322.365 -1.067 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)nnn1C ZINC001411151664 925822563 /nfs/dbraw/zinc/82/25/63/925822563.db2.gz NPRRCHSAACTQMM-VHSXEESVSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)nnn1C ZINC001411151664 925822570 /nfs/dbraw/zinc/82/25/70/925822570.db2.gz NPRRCHSAACTQMM-VHSXEESVSA-N 1 1 312.374 -1.638 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2n[nH]nc21 ZINC001411160124 925822746 /nfs/dbraw/zinc/82/27/46/925822746.db2.gz CSWGQCOAGRUMBS-VIFPVBQESA-N 1 1 308.342 -1.290 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cncn1 ZINC001411154647 925822885 /nfs/dbraw/zinc/82/28/85/925822885.db2.gz ZESWGRVRQHHTEY-JTQLQIEISA-N 1 1 308.346 -1.984 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001411161633 925823120 /nfs/dbraw/zinc/82/31/20/925823120.db2.gz GMFLXSZLHHFGNZ-ZJUUUORDSA-N 1 1 301.347 -1.823 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)nnn1C ZINC001411151650 925823177 /nfs/dbraw/zinc/82/31/77/925823177.db2.gz NPRRCHSAACTQMM-NXEZZACHSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)nnn1C ZINC001411151650 925823187 /nfs/dbraw/zinc/82/31/87/925823187.db2.gz NPRRCHSAACTQMM-NXEZZACHSA-N 1 1 312.374 -1.638 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411167285 925823963 /nfs/dbraw/zinc/82/39/63/925823963.db2.gz GJXCCXBSEDNEIR-HUBLWGQQSA-N 1 1 313.398 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411167285 925823974 /nfs/dbraw/zinc/82/39/74/925823974.db2.gz GJXCCXBSEDNEIR-HUBLWGQQSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001411162599 925824491 /nfs/dbraw/zinc/82/44/91/925824491.db2.gz NZTAIRBHMNJMJS-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001411162599 925824496 /nfs/dbraw/zinc/82/44/96/925824496.db2.gz NZTAIRBHMNJMJS-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c[nH]1 ZINC001411167777 925824935 /nfs/dbraw/zinc/82/49/35/925824935.db2.gz PTBMUJXPRMEPGA-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001411162603 925825069 /nfs/dbraw/zinc/82/50/69/925825069.db2.gz NZTAIRBHMNJMJS-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001411162603 925825075 /nfs/dbraw/zinc/82/50/75/925825075.db2.gz NZTAIRBHMNJMJS-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1ncc[nH]1 ZINC001411178685 925827359 /nfs/dbraw/zinc/82/73/59/925827359.db2.gz IDPVGFJKLITSTK-LBPRGKRZSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1ncc[nH]1 ZINC001411178685 925827368 /nfs/dbraw/zinc/82/73/68/925827368.db2.gz IDPVGFJKLITSTK-LBPRGKRZSA-N 1 1 323.397 -1.064 20 0 DAADMO COc1ncc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001411179504 925827389 /nfs/dbraw/zinc/82/73/89/925827389.db2.gz LQNOANCKHOIBHD-SNVBAGLBSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001411179504 925827395 /nfs/dbraw/zinc/82/73/95/925827395.db2.gz LQNOANCKHOIBHD-SNVBAGLBSA-N 1 1 311.342 -1.665 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176831 925827493 /nfs/dbraw/zinc/82/74/93/925827493.db2.gz GBKCVPHIPCLLHB-CMPLNLGQSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176831 925827500 /nfs/dbraw/zinc/82/75/00/925827500.db2.gz GBKCVPHIPCLLHB-CMPLNLGQSA-N 1 1 311.386 -1.033 20 0 DAADMO CCn1ccc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001411171484 925827554 /nfs/dbraw/zinc/82/75/54/925827554.db2.gz QIJKDSVZGCRZRN-LBPRGKRZSA-N 1 1 311.386 -1.318 20 0 DAADMO CCn1ccc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001411171484 925827562 /nfs/dbraw/zinc/82/75/62/925827562.db2.gz QIJKDSVZGCRZRN-LBPRGKRZSA-N 1 1 311.386 -1.318 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001411178572 925828243 /nfs/dbraw/zinc/82/82/43/925828243.db2.gz HPJIOPXKJPZHCS-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001411178572 925828248 /nfs/dbraw/zinc/82/82/48/925828248.db2.gz HPJIOPXKJPZHCS-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001411172472 925828605 /nfs/dbraw/zinc/82/86/05/925828605.db2.gz XTYIMYAKKRNUIQ-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ncccn1 ZINC001411177601 925828664 /nfs/dbraw/zinc/82/86/64/925828664.db2.gz KFPBBAJVIMTZEZ-LLVKDONJSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ncccn1 ZINC001411177601 925828673 /nfs/dbraw/zinc/82/86/73/925828673.db2.gz KFPBBAJVIMTZEZ-LLVKDONJSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1cnc[nH]1 ZINC001411187284 925829587 /nfs/dbraw/zinc/82/95/87/925829587.db2.gz NCBXIIXQAHIWQP-ZDUSSCGKSA-N 1 1 321.385 -1.005 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C(C)C ZINC001411184913 925829702 /nfs/dbraw/zinc/82/97/02/925829702.db2.gz ZIAGRHYWOXBJMV-QWHCGFSZSA-N 1 1 303.403 -1.110 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001411184806 925829974 /nfs/dbraw/zinc/82/99/74/925829974.db2.gz OKRHYVVLLQFAMU-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001411184806 925829978 /nfs/dbraw/zinc/82/99/78/925829978.db2.gz OKRHYVVLLQFAMU-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001411192472 925830049 /nfs/dbraw/zinc/83/00/49/925830049.db2.gz ZZBACVZYFZNDPU-DTWKUNHWSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001411192472 925830054 /nfs/dbraw/zinc/83/00/54/925830054.db2.gz ZZBACVZYFZNDPU-DTWKUNHWSA-N 1 1 322.387 -3.086 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001411180215 925830252 /nfs/dbraw/zinc/83/02/52/925830252.db2.gz OEYUIJBOMVNAOI-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001411180215 925830264 /nfs/dbraw/zinc/83/02/64/925830264.db2.gz OEYUIJBOMVNAOI-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189777 925830980 /nfs/dbraw/zinc/83/09/80/925830980.db2.gz SJNVOQJKMTWWSM-WDEREUQCSA-N 1 1 324.443 -1.059 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001411189777 925830989 /nfs/dbraw/zinc/83/09/89/925830989.db2.gz SJNVOQJKMTWWSM-WDEREUQCSA-N 1 1 324.443 -1.059 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC1CC1 ZINC001411183305 925831112 /nfs/dbraw/zinc/83/11/12/925831112.db2.gz FGROTWXHPJDROI-NSHDSACASA-N 1 1 307.416 -1.303 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001411189887 925831348 /nfs/dbraw/zinc/83/13/48/925831348.db2.gz SSHWBHKUCZQVAU-SNVBAGLBSA-N 1 1 310.354 -1.054 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001411189887 925831357 /nfs/dbraw/zinc/83/13/57/925831357.db2.gz SSHWBHKUCZQVAU-SNVBAGLBSA-N 1 1 310.354 -1.054 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182453 925831647 /nfs/dbraw/zinc/83/16/47/925831647.db2.gz TXQVVTSBDAIKCD-NXEZZACHSA-N 1 1 312.374 -1.767 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182453 925831655 /nfs/dbraw/zinc/83/16/55/925831655.db2.gz TXQVVTSBDAIKCD-NXEZZACHSA-N 1 1 312.374 -1.767 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001411191123 925831883 /nfs/dbraw/zinc/83/18/83/925831883.db2.gz UJHMJELDLWVBQB-QWRGUYRKSA-N 1 1 302.375 -1.727 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180036 925831986 /nfs/dbraw/zinc/83/19/86/925831986.db2.gz NBSCCTXBZDDPTC-ZJUUUORDSA-N 1 1 313.362 -2.312 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180036 925831999 /nfs/dbraw/zinc/83/19/99/925831999.db2.gz NBSCCTXBZDDPTC-ZJUUUORDSA-N 1 1 313.362 -2.312 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001411183052 925832223 /nfs/dbraw/zinc/83/22/23/925832223.db2.gz QPTZNUPAUGKNOU-MQYQWHSLSA-N 1 1 323.397 -1.078 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001411188242 925832344 /nfs/dbraw/zinc/83/23/44/925832344.db2.gz ZEEDNOYPDHEXSB-VIFPVBQESA-N 1 1 311.342 -1.659 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001411188242 925832351 /nfs/dbraw/zinc/83/23/51/925832351.db2.gz ZEEDNOYPDHEXSB-VIFPVBQESA-N 1 1 311.342 -1.659 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1nc[nH]n1)[C@H]1CCCNC1=O ZINC001411226367 925833226 /nfs/dbraw/zinc/83/32/26/925833226.db2.gz PBEPDBBQMDMERA-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1nc[nH]n1)[C@H]1CCCNC1=O ZINC001411226367 925833239 /nfs/dbraw/zinc/83/32/39/925833239.db2.gz PBEPDBBQMDMERA-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@H+](CCNC(=O)CNC(=O)OC)[C@H]1CCNC1=O ZINC001411216590 925833932 /nfs/dbraw/zinc/83/39/32/925833932.db2.gz MHVDMYBQKAKEGF-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO COCC[N@@H+](CCNC(=O)CNC(=O)OC)[C@H]1CCNC1=O ZINC001411216590 925833940 /nfs/dbraw/zinc/83/39/40/925833940.db2.gz MHVDMYBQKAKEGF-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1nc[nH]n1)[C@@H]1CCCNC1=O ZINC001411226358 925834130 /nfs/dbraw/zinc/83/41/30/925834130.db2.gz PBEPDBBQMDMERA-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1nc[nH]n1)[C@@H]1CCCNC1=O ZINC001411226358 925834137 /nfs/dbraw/zinc/83/41/37/925834137.db2.gz PBEPDBBQMDMERA-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@@H+](CCNC(=O)C1CN(C(C)=O)C1)C[C@@H](C)O ZINC001411225220 925834481 /nfs/dbraw/zinc/83/44/81/925834481.db2.gz HPVNODCXUVLNNB-LLVKDONJSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C)c1cc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc[nH+]1 ZINC001411332719 925837594 /nfs/dbraw/zinc/83/75/94/925837594.db2.gz ZUPHWUOFDSEUDT-VIFPVBQESA-N 1 1 312.351 -1.001 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001411379211 925839039 /nfs/dbraw/zinc/83/90/39/925839039.db2.gz XLQVTTMTSVNINM-GHMZBOCLSA-N 1 1 320.357 -1.112 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]21 ZINC001411406978 925839949 /nfs/dbraw/zinc/83/99/49/925839949.db2.gz UDBDDNOTUPZVOB-UTLUCORTSA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@@H]21 ZINC001411406978 925839958 /nfs/dbraw/zinc/83/99/58/925839958.db2.gz UDBDDNOTUPZVOB-UTLUCORTSA-N 1 1 301.368 -1.938 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523913 925844592 /nfs/dbraw/zinc/84/45/92/925844592.db2.gz RIJVIWRJWULNDL-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523913 925844597 /nfs/dbraw/zinc/84/45/97/925844597.db2.gz RIJVIWRJWULNDL-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001411527118 925845103 /nfs/dbraw/zinc/84/51/03/925845103.db2.gz CFXPHUJYZFPKMN-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[N@H+]1CC[C@@H](CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001411670673 925850025 /nfs/dbraw/zinc/85/00/25/925850025.db2.gz QCYCDXKJZOBZEM-VIFPVBQESA-N 1 1 323.353 -1.494 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cnc(N)n2)CC1 ZINC001411648887 925851022 /nfs/dbraw/zinc/85/10/22/925851022.db2.gz WLRKRNNJIDSWPQ-UHFFFAOYSA-N 1 1 323.401 -1.033 20 0 DAADMO Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001411702169 925852412 /nfs/dbraw/zinc/85/24/12/925852412.db2.gz XXQPCIVQFRVNCD-RISCZKNCSA-N 1 1 308.386 -1.035 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001411991975 925864641 /nfs/dbraw/zinc/86/46/41/925864641.db2.gz QEGKVGZWQLSZEF-AWEZNQCLSA-N 1 1 320.353 -1.545 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001412104989 925872990 /nfs/dbraw/zinc/87/29/90/925872990.db2.gz BBDGUDIWMJHACX-VHSXEESVSA-N 1 1 303.384 -1.525 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001412092140 925873059 /nfs/dbraw/zinc/87/30/59/925873059.db2.gz CNYFEGMOAQWBJK-UHFFFAOYSA-N 1 1 301.372 -1.003 20 0 DAADMO NS(=O)(=O)C1(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001412104966 925873106 /nfs/dbraw/zinc/87/31/06/925873106.db2.gz BBDGUDIWMJHACX-NXEZZACHSA-N 1 1 303.384 -1.525 20 0 DAADMO C[C@H](O)c1cn(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)nn1 ZINC001412110007 925873559 /nfs/dbraw/zinc/87/35/59/925873559.db2.gz NJNFARLUBFMGQT-QJPTWQEYSA-N 1 1 309.370 -1.001 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001412172338 925876593 /nfs/dbraw/zinc/87/65/93/925876593.db2.gz WTXVGNYMLWREBO-UWVGGRQHSA-N 1 1 308.379 -1.363 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001412172338 925876595 /nfs/dbraw/zinc/87/65/95/925876595.db2.gz WTXVGNYMLWREBO-UWVGGRQHSA-N 1 1 308.379 -1.363 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001412260081 925882338 /nfs/dbraw/zinc/88/23/38/925882338.db2.gz RJQVUYXBTANOGE-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCOC(=O)C[C@@H](O)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001412418689 925895300 /nfs/dbraw/zinc/89/53/00/925895300.db2.gz OIIFNNYNWSVYPQ-SNVBAGLBSA-N 1 1 301.343 -1.634 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccnc2c1CC(=O)N2 ZINC001412457764 925899239 /nfs/dbraw/zinc/89/92/39/925899239.db2.gz HRVQZNJRURMKCB-AWEZNQCLSA-N 1 1 306.322 -1.343 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001412453621 925899827 /nfs/dbraw/zinc/89/98/27/925899827.db2.gz AHHVYEBRJIOWMB-AWEZNQCLSA-N 1 1 321.337 -2.037 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001412501935 925904366 /nfs/dbraw/zinc/90/43/66/925904366.db2.gz RLTZNTRCXQFVFQ-MWLCHTKSSA-N 1 1 307.354 -1.510 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001412501910 925904989 /nfs/dbraw/zinc/90/49/89/925904989.db2.gz RLTZNTRCXQFVFQ-GXSJLCMTSA-N 1 1 307.354 -1.510 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001412517817 925905661 /nfs/dbraw/zinc/90/56/61/925905661.db2.gz AIEBNULAHHLBSG-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001412552772 925911860 /nfs/dbraw/zinc/91/18/60/925911860.db2.gz VYUOGDWSLQDGMH-SNVBAGLBSA-N 1 1 302.350 -1.259 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001412552393 925912243 /nfs/dbraw/zinc/91/22/43/925912243.db2.gz VRLBLPLOBDDXHO-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001412580213 925913201 /nfs/dbraw/zinc/91/32/01/925913201.db2.gz UWFLXDKZSJPKKB-VHSXEESVSA-N 1 1 309.374 -1.873 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)C1 ZINC001412579687 925913997 /nfs/dbraw/zinc/91/39/97/925913997.db2.gz UCBRINQAGRWAKG-NWDGAFQWSA-N 1 1 313.402 -1.746 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001412612767 925917213 /nfs/dbraw/zinc/91/72/13/925917213.db2.gz YGGINESYUGQVAW-JTQLQIEISA-N 1 1 322.369 -1.599 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001412612767 925917219 /nfs/dbraw/zinc/91/72/19/925917219.db2.gz YGGINESYUGQVAW-JTQLQIEISA-N 1 1 322.369 -1.599 20 0 DAADMO C[C@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412659861 925921501 /nfs/dbraw/zinc/92/15/01/925921501.db2.gz CQRVACMRIQSKGB-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(=O)NCCO)cn1 ZINC001412660579 925921817 /nfs/dbraw/zinc/92/18/17/925921817.db2.gz BFTKCEQTTBQQAL-OLZOCXBDSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC(=O)NCCO)cn1 ZINC001412660585 925921882 /nfs/dbraw/zinc/92/18/82/925921882.db2.gz BFTKCEQTTBQQAL-QWHCGFSZSA-N 1 1 323.397 -1.320 20 0 DAADMO NS(=O)(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001412694249 925925037 /nfs/dbraw/zinc/92/50/37/925925037.db2.gz TVZVOROQCLHSMR-LBPRGKRZSA-N 1 1 319.427 -1.030 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001412723372 925926102 /nfs/dbraw/zinc/92/61/02/925926102.db2.gz PYPWEKOBEBIBGY-NSHDSACASA-N 1 1 303.384 -1.390 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001412724000 925928233 /nfs/dbraw/zinc/92/82/33/925928233.db2.gz JHAZSSDYXCKFQR-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412733151 925930253 /nfs/dbraw/zinc/93/02/53/925930253.db2.gz WYJPSCLMZGLFOO-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001412757028 925936743 /nfs/dbraw/zinc/93/67/43/925936743.db2.gz NJUCVJXSEKFZLB-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001412757907 925937795 /nfs/dbraw/zinc/93/77/95/925937795.db2.gz SXUGICSVRJZZEX-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001412765705 925939513 /nfs/dbraw/zinc/93/95/13/925939513.db2.gz AWFAHOBDMLSTOV-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)C)C1 ZINC001412769857 925941243 /nfs/dbraw/zinc/94/12/43/925941243.db2.gz WADDALDANQPMJE-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)C)C1 ZINC001412769857 925941245 /nfs/dbraw/zinc/94/12/45/925941245.db2.gz WADDALDANQPMJE-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnsn1 ZINC001412783533 925945124 /nfs/dbraw/zinc/94/51/24/925945124.db2.gz OSTBGYLQYXBILS-PSASIEDQSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1ccon1 ZINC001412788296 925946775 /nfs/dbraw/zinc/94/67/75/925946775.db2.gz LTLNNTKNSKQTBU-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)COCC2CC2)C1 ZINC001412789097 925947240 /nfs/dbraw/zinc/94/72/40/925947240.db2.gz XYQGXTZIKDJEPZ-CHWSQXEVSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)COCC2CC2)C1 ZINC001412789106 925947457 /nfs/dbraw/zinc/94/74/57/925947457.db2.gz XYQGXTZIKDJEPZ-STQMWFEESA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787475 925947555 /nfs/dbraw/zinc/94/75/55/925947555.db2.gz VVMWXWGXQLXBRC-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787475 925947567 /nfs/dbraw/zinc/94/75/67/925947567.db2.gz VVMWXWGXQLXBRC-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001412806638 925952874 /nfs/dbraw/zinc/95/28/74/925952874.db2.gz HQUANIZEGKTFIS-WRWGMCAJSA-N 1 1 321.385 -1.366 20 0 DAADMO O=C(CO)NCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001412819484 925958172 /nfs/dbraw/zinc/95/81/72/925958172.db2.gz YRVDQGLOAZKXJC-SMDDNHRTSA-N 1 1 315.370 -2.173 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001412827440 925959778 /nfs/dbraw/zinc/95/97/78/925959778.db2.gz BCUZIURSCYFWCO-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001412827998 925960251 /nfs/dbraw/zinc/96/02/51/925960251.db2.gz KSUURPFHHCDKCV-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO CC(C)OCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412848369 925965951 /nfs/dbraw/zinc/96/59/51/925965951.db2.gz NQWMFJNUTQXTGX-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001412846291 925966197 /nfs/dbraw/zinc/96/61/97/925966197.db2.gz ANRSEQYRWMZLOX-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001412843549 925966333 /nfs/dbraw/zinc/96/63/33/925966333.db2.gz ZXEWGAYBYYLXIL-UWVGGRQHSA-N 1 1 310.358 -1.884 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412848169 925966806 /nfs/dbraw/zinc/96/68/06/925966806.db2.gz NQWMFJNUTQXTGX-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412848825 925967213 /nfs/dbraw/zinc/96/72/13/925967213.db2.gz OPKGAUDEQZFSRP-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[N@@H+]1CCO ZINC001412851056 925967440 /nfs/dbraw/zinc/96/74/40/925967440.db2.gz WJNRGDVSIQSKLG-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncn3nccc3c2=O)CC[N@H+]1CCO ZINC001412851056 925967448 /nfs/dbraw/zinc/96/74/48/925967448.db2.gz WJNRGDVSIQSKLG-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO Cc1nccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001412852186 925968097 /nfs/dbraw/zinc/96/80/97/925968097.db2.gz GEVIUUWWNTWXSU-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1n[nH]cc1F ZINC001412857321 925968910 /nfs/dbraw/zinc/96/89/10/925968910.db2.gz JKCRYCRDQNMCHA-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001412859724 925969425 /nfs/dbraw/zinc/96/94/25/925969425.db2.gz LLTDHFMPHMHZOM-NSHDSACASA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001412863723 925970423 /nfs/dbraw/zinc/97/04/23/925970423.db2.gz SCEYFESPPPHWJT-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC001412863494 925970467 /nfs/dbraw/zinc/97/04/67/925970467.db2.gz PUDONVOSFOROND-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC001412863496 925970503 /nfs/dbraw/zinc/97/05/03/925970503.db2.gz PUDONVOSFOROND-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cn(C)nn1 ZINC001412862546 925971413 /nfs/dbraw/zinc/97/14/13/925971413.db2.gz PAHTUDQPWLCEPO-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnon2)CC[N@H+]1C ZINC001412866487 925973238 /nfs/dbraw/zinc/97/32/38/925973238.db2.gz LESOWDOTCCYYTN-OPRDCNLKSA-N 1 1 311.342 -1.383 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCOC)C1 ZINC001412870838 925973254 /nfs/dbraw/zinc/97/32/54/925973254.db2.gz RGORLEQAONJBPY-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCOC)C1 ZINC001412870838 925973260 /nfs/dbraw/zinc/97/32/60/925973260.db2.gz RGORLEQAONJBPY-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001412876405 925974653 /nfs/dbraw/zinc/97/46/53/925974653.db2.gz RILVLPVOFLKDOX-MWLCHTKSSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001412905155 925979380 /nfs/dbraw/zinc/97/93/80/925979380.db2.gz ICYGAAHVKHLVER-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001412905159 925979917 /nfs/dbraw/zinc/97/99/17/925979917.db2.gz ICYGAAHVKHLVER-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001412904066 925979939 /nfs/dbraw/zinc/97/99/39/925979939.db2.gz GNGLDDADXZSOHF-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412905060 925980280 /nfs/dbraw/zinc/98/02/80/925980280.db2.gz HUOQCAUDNOOONE-YPMHNXCESA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001412909716 925981847 /nfs/dbraw/zinc/98/18/47/925981847.db2.gz WSTCEYKGJYPAKU-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001412910284 925982061 /nfs/dbraw/zinc/98/20/61/925982061.db2.gz VUZYOFLRVOOPIR-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001412942523 925987854 /nfs/dbraw/zinc/98/78/54/925987854.db2.gz YVHCUPHFJKAKJO-GMTAPVOTSA-N 1 1 312.370 -2.048 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC001412956818 925992541 /nfs/dbraw/zinc/99/25/41/925992541.db2.gz ZLYKTXKTPVWSNQ-SECBINFHSA-N 1 1 308.342 -1.893 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC001412956818 925992552 /nfs/dbraw/zinc/99/25/52/925992552.db2.gz ZLYKTXKTPVWSNQ-SECBINFHSA-N 1 1 308.342 -1.893 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1ccnc1 ZINC001412959109 925992880 /nfs/dbraw/zinc/99/28/80/925992880.db2.gz PGPYDOMZJDKFCA-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001412957090 925993029 /nfs/dbraw/zinc/99/30/29/925993029.db2.gz NTRQTAQHXRDXDQ-MNOVXSKESA-N 1 1 324.385 -1.543 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001412957088 925993202 /nfs/dbraw/zinc/99/32/02/925993202.db2.gz NTRQTAQHXRDXDQ-GHMZBOCLSA-N 1 1 324.385 -1.543 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001412967607 925995631 /nfs/dbraw/zinc/99/56/31/925995631.db2.gz FFKWYSZJCXKYRV-NSHDSACASA-N 1 1 314.415 -1.329 20 0 DAADMO C[C@H]1CCN(CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976703 925996759 /nfs/dbraw/zinc/99/67/59/925996759.db2.gz WNBIUAUAGPXBQL-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001412979600 925997186 /nfs/dbraw/zinc/99/71/86/925997186.db2.gz TWTCJHYCBVHFMR-OCCSQVGLSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001412979600 925997190 /nfs/dbraw/zinc/99/71/90/925997190.db2.gz TWTCJHYCBVHFMR-OCCSQVGLSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(C)(O)C[C@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001412974256 925997353 /nfs/dbraw/zinc/99/73/53/925997353.db2.gz URUXOXVSIDAWEX-NSHDSACASA-N 1 1 309.432 -1.586 20 0 DAADMO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001412991606 925998305 /nfs/dbraw/zinc/99/83/05/925998305.db2.gz LDRYGBNMSSJBKI-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@]1(CO)CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001412991606 925998316 /nfs/dbraw/zinc/99/83/16/925998316.db2.gz LDRYGBNMSSJBKI-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001412986727 925999312 /nfs/dbraw/zinc/99/93/12/925999312.db2.gz RVTVVVINSKWPQK-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001413005456 926002170 /nfs/dbraw/zinc/00/21/70/926002170.db2.gz IXOUMHGNGSAGQD-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO Nc1nnn(CC(=O)N2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC001413057191 926006954 /nfs/dbraw/zinc/00/69/54/926006954.db2.gz IGOGWLGWFMTPQH-UHFFFAOYSA-N 1 1 309.374 -1.031 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001413053679 926007790 /nfs/dbraw/zinc/00/77/90/926007790.db2.gz OSBZGTWYPOCSRG-AVGNSLFASA-N 1 1 322.427 -1.240 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCN21 ZINC001413066838 926009247 /nfs/dbraw/zinc/00/92/47/926009247.db2.gz IIXBOPNPDUNTCR-MNOVXSKESA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCN21 ZINC001413066838 926009255 /nfs/dbraw/zinc/00/92/55/926009255.db2.gz IIXBOPNPDUNTCR-MNOVXSKESA-N 1 1 321.399 -2.277 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001413098160 926011333 /nfs/dbraw/zinc/01/13/33/926011333.db2.gz CBHRKVHTHAESET-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001413098160 926011339 /nfs/dbraw/zinc/01/13/39/926011339.db2.gz CBHRKVHTHAESET-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001413095689 926011761 /nfs/dbraw/zinc/01/17/61/926011761.db2.gz PFWMVAFDAGCBMG-RYUDHWBXSA-N 1 1 302.371 -1.069 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001413147691 926012772 /nfs/dbraw/zinc/01/27/72/926012772.db2.gz DHITXBVOYQBQNB-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC001413147693 926013359 /nfs/dbraw/zinc/01/33/59/926013359.db2.gz DHITXBVOYQBQNB-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@H+](C)C1 ZINC001413143882 926013514 /nfs/dbraw/zinc/01/35/14/926013514.db2.gz KHYGWHQEGZCFBQ-SECBINFHSA-N 1 1 324.337 -1.007 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@@H+](C)C1 ZINC001413143882 926013520 /nfs/dbraw/zinc/01/35/20/926013520.db2.gz KHYGWHQEGZCFBQ-SECBINFHSA-N 1 1 324.337 -1.007 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC001413192142 926014698 /nfs/dbraw/zinc/01/46/98/926014698.db2.gz WNTYFGWNZUISOW-UHFFFAOYSA-N 1 1 312.370 -1.782 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001413230094 926018681 /nfs/dbraw/zinc/01/86/81/926018681.db2.gz AXNHHUSNZYENAI-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO Cn1ncc2cc(C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cnc21 ZINC001413237296 926019927 /nfs/dbraw/zinc/01/99/27/926019927.db2.gz MPRPYTHNURUGMZ-PHIMTYICSA-N 1 1 302.338 -1.013 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001413245819 926021346 /nfs/dbraw/zinc/02/13/46/926021346.db2.gz HSTNXWVAYJBVBW-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001413245819 926021353 /nfs/dbraw/zinc/02/13/53/926021353.db2.gz HSTNXWVAYJBVBW-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(C)(F)F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001413244391 926022496 /nfs/dbraw/zinc/02/24/96/926022496.db2.gz FKTCAIRGPUBZJP-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(C)(F)F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001413244391 926022505 /nfs/dbraw/zinc/02/25/05/926022505.db2.gz FKTCAIRGPUBZJP-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413262269 926024568 /nfs/dbraw/zinc/02/45/68/926024568.db2.gz HJHIIBLXSYMTPX-NWDGAFQWSA-N 1 1 324.385 -1.835 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413274173 926026747 /nfs/dbraw/zinc/02/67/47/926026747.db2.gz YVGYBYPKXSFJMR-VXGBXAGGSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001413289145 926028634 /nfs/dbraw/zinc/02/86/34/926028634.db2.gz UQUNSYNCCZSCOH-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001413289145 926028642 /nfs/dbraw/zinc/02/86/42/926028642.db2.gz UQUNSYNCCZSCOH-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001413289145 926028652 /nfs/dbraw/zinc/02/86/52/926028652.db2.gz UQUNSYNCCZSCOH-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001413312003 926032810 /nfs/dbraw/zinc/03/28/10/926032810.db2.gz XBXRWWGAKGRYMZ-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)CC[N@@H+](C)CCO ZINC001413324728 926034448 /nfs/dbraw/zinc/03/44/48/926034448.db2.gz FRVKBTOFNZWEJN-UHFFFAOYSA-N 1 1 318.399 -1.096 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001413343879 926039545 /nfs/dbraw/zinc/03/95/45/926039545.db2.gz ROJJLBHWAKHOHZ-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001413343879 926039551 /nfs/dbraw/zinc/03/95/51/926039551.db2.gz ROJJLBHWAKHOHZ-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001413343879 926039556 /nfs/dbraw/zinc/03/95/56/926039556.db2.gz ROJJLBHWAKHOHZ-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001413343879 926039565 /nfs/dbraw/zinc/03/95/65/926039565.db2.gz ROJJLBHWAKHOHZ-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001413343879 926039576 /nfs/dbraw/zinc/03/95/76/926039576.db2.gz ROJJLBHWAKHOHZ-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001413342864 926039775 /nfs/dbraw/zinc/03/97/75/926039775.db2.gz IQLUKQUUUXLDBD-VPOLOUISSA-N 1 1 309.370 -2.580 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413342869 926040558 /nfs/dbraw/zinc/04/05/58/926040558.db2.gz IQLUKQUUUXLDBD-ZNSHCXBVSA-N 1 1 309.370 -2.580 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001413392218 926047933 /nfs/dbraw/zinc/04/79/33/926047933.db2.gz LIOKOFDJDDJWRU-AGIUHOORSA-N 1 1 321.381 -1.401 20 0 DAADMO CN1CCN(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001413391112 926048347 /nfs/dbraw/zinc/04/83/47/926048347.db2.gz XWKQZDVSCDKWGX-NWDGAFQWSA-N 1 1 304.416 -1.771 20 0 DAADMO CS(=O)(=O)CC1(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC001413417720 926050390 /nfs/dbraw/zinc/05/03/90/926050390.db2.gz DIYISSXAIHQYCX-CYBMUJFWSA-N 1 1 320.411 -1.332 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001413420172 926051088 /nfs/dbraw/zinc/05/10/88/926051088.db2.gz LGQVRVOEILFHFI-NSHDSACASA-N 1 1 310.372 -2.485 20 0 DAADMO C[C@@]1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCCS1(=O)=O ZINC001413425551 926051641 /nfs/dbraw/zinc/05/16/41/926051641.db2.gz WZOTURANYDYOII-RYUDHWBXSA-N 1 1 306.384 -1.579 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC001413423186 926051827 /nfs/dbraw/zinc/05/18/27/926051827.db2.gz QQMJADOINCVGHF-HZMBPMFUSA-N 1 1 309.370 -1.613 20 0 DAADMO CO[C@@]1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCS(=O)(=O)C1 ZINC001413418629 926052103 /nfs/dbraw/zinc/05/21/03/926052103.db2.gz FQVMLQPCNHSMIA-RYUDHWBXSA-N 1 1 322.383 -2.343 20 0 DAADMO COC(=O)c1ccn(CC(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001413424563 926052214 /nfs/dbraw/zinc/05/22/14/926052214.db2.gz VBEDGEIYQCNING-ZDUSSCGKSA-N 1 1 312.326 -1.863 20 0 DAADMO COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC[N@H+](C)CCO ZINC001413438828 926052988 /nfs/dbraw/zinc/05/29/88/926052988.db2.gz PKAZUYHTMKDGOI-UHFFFAOYSA-N 1 1 320.371 -1.293 20 0 DAADMO COC(=O)c1c(C)[nH]nc1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001413438828 926052996 /nfs/dbraw/zinc/05/29/96/926052996.db2.gz PKAZUYHTMKDGOI-UHFFFAOYSA-N 1 1 320.371 -1.293 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001413513493 926059995 /nfs/dbraw/zinc/05/99/95/926059995.db2.gz BLYXMCVNJBQSFK-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001413513493 926060003 /nfs/dbraw/zinc/06/00/03/926060003.db2.gz BLYXMCVNJBQSFK-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001413522286 926061306 /nfs/dbraw/zinc/06/13/06/926061306.db2.gz GSRJOFADXCSAJX-NQBHXWOUSA-N 1 1 319.427 -1.161 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCO)cn1 ZINC001413573174 926064570 /nfs/dbraw/zinc/06/45/70/926064570.db2.gz HFIQHBNARNRLJU-UHFFFAOYSA-N 1 1 316.383 -1.356 20 0 DAADMO COC(=O)c1cccn(CC(=O)NCC[N@@H+](C)CCO)c1=O ZINC001413575044 926065027 /nfs/dbraw/zinc/06/50/27/926065027.db2.gz PYJUMWYONWRABO-UHFFFAOYSA-N 1 1 311.338 -1.325 20 0 DAADMO Cn1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C(N)=O)n1 ZINC001413633759 926067749 /nfs/dbraw/zinc/06/77/49/926067749.db2.gz PVHZJQLJHZFIJL-VIFPVBQESA-N 1 1 309.374 -1.114 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001413668200 926067885 /nfs/dbraw/zinc/06/78/85/926067885.db2.gz GWHZRXIDSVRXNA-SECBINFHSA-N 1 1 323.357 -1.115 20 0 DAADMO Cn1cc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(=O)[nH]c1=O ZINC001413729189 926071960 /nfs/dbraw/zinc/07/19/60/926071960.db2.gz JTCUHUDHFWCHKB-NSHDSACASA-N 1 1 324.385 -1.469 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](CO)C1)CN1CC[NH+](C)CC1 ZINC001413731250 926073018 /nfs/dbraw/zinc/07/30/18/926073018.db2.gz VFHIAWIRBDCHFR-MCIONIFRSA-N 1 1 314.430 -1.136 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](O)[C@H](CO)C1)CN1CC[NH+](C)CC1 ZINC001413731256 926073327 /nfs/dbraw/zinc/07/33/27/926073327.db2.gz VFHIAWIRBDCHFR-RDBSUJKOSA-N 1 1 314.430 -1.136 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001413810042 926077616 /nfs/dbraw/zinc/07/76/16/926077616.db2.gz HQUANIZEGKTFIS-WHOHXGKFSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001413807704 926077859 /nfs/dbraw/zinc/07/78/59/926077859.db2.gz BGTVEURKPOBSFJ-NSHDSACASA-N 1 1 314.386 -1.990 20 0 DAADMO C[C@@H](O)c1cn(C2CN(C(=O)CN3CC[NH+](C)CC3)C2)nn1 ZINC001413852966 926080605 /nfs/dbraw/zinc/08/06/05/926080605.db2.gz ZBHHCILJHJERLX-LLVKDONJSA-N 1 1 308.386 -1.038 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CCS1(=O)=O ZINC001413900043 926081812 /nfs/dbraw/zinc/08/18/12/926081812.db2.gz JMHHTTHCQMVYKK-FOGDFJRCSA-N 1 1 305.400 -1.072 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCS1(=O)=O ZINC001413900043 926081818 /nfs/dbraw/zinc/08/18/18/926081818.db2.gz JMHHTTHCQMVYKK-FOGDFJRCSA-N 1 1 305.400 -1.072 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)NCC(=O)N=S(C)(C)=O ZINC001413904508 926082223 /nfs/dbraw/zinc/08/22/23/926082223.db2.gz ZYQLQGLTLKLVSV-UHFFFAOYSA-N 1 1 308.404 -1.146 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCC(=O)N=S(C)(C)=O ZINC001413904508 926082232 /nfs/dbraw/zinc/08/22/32/926082232.db2.gz ZYQLQGLTLKLVSV-UHFFFAOYSA-N 1 1 308.404 -1.146 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3nnc4n3CCNC4=O)C[C@@H]21 ZINC001413912492 926083972 /nfs/dbraw/zinc/08/39/72/926083972.db2.gz BJWGYUFBAPKAHY-ZJUUUORDSA-N 1 1 319.369 -1.133 20 0 DAADMO Cn1cc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001413945635 926085474 /nfs/dbraw/zinc/08/54/74/926085474.db2.gz DWFYDUIJBGQWMU-ZDUSSCGKSA-N 1 1 311.342 -1.648 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001413943017 926085636 /nfs/dbraw/zinc/08/56/36/926085636.db2.gz AGAFCASKPLANFE-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001413977476 926092972 /nfs/dbraw/zinc/09/29/72/926092972.db2.gz KROXRYZPZFKCMO-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO Cc1cccnc1NC(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001414015519 926095731 /nfs/dbraw/zinc/09/57/31/926095731.db2.gz FMEDVTDXBBOYMZ-NXEZZACHSA-N 1 1 305.338 -1.153 20 0 DAADMO NC(=O)C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015568 926096134 /nfs/dbraw/zinc/09/61/34/926096134.db2.gz MRBBZJRYMGBNEY-NWDGAFQWSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001414015568 926096143 /nfs/dbraw/zinc/09/61/43/926096143.db2.gz MRBBZJRYMGBNEY-NWDGAFQWSA-N 1 1 302.371 -1.145 20 0 DAADMO C[C@@H]1COCC[N@@H+]1CCN1CCOC[C@@H]1CNS(C)(=O)=O ZINC001414014715 926096411 /nfs/dbraw/zinc/09/64/11/926096411.db2.gz BZEWJAZECOBJRN-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H]1COCC[N@H+]1CCN1CCOC[C@@H]1CNS(C)(=O)=O ZINC001414014715 926096419 /nfs/dbraw/zinc/09/64/19/926096419.db2.gz BZEWJAZECOBJRN-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040714 926100612 /nfs/dbraw/zinc/10/06/12/926100612.db2.gz VPAGAZFPGRXQSI-STQMWFEESA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040714 926100618 /nfs/dbraw/zinc/10/06/18/926100618.db2.gz VPAGAZFPGRXQSI-STQMWFEESA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001414040714 926100623 /nfs/dbraw/zinc/10/06/23/926100623.db2.gz VPAGAZFPGRXQSI-STQMWFEESA-N 1 1 323.459 -1.203 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001414061908 926106122 /nfs/dbraw/zinc/10/61/22/926106122.db2.gz OICGXOLRPQSEKV-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001414061908 926106127 /nfs/dbraw/zinc/10/61/27/926106127.db2.gz OICGXOLRPQSEKV-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001414061908 926106131 /nfs/dbraw/zinc/10/61/31/926106131.db2.gz OICGXOLRPQSEKV-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(N)=O ZINC001414133921 926107892 /nfs/dbraw/zinc/10/78/92/926107892.db2.gz AFIQGWKLTXUMLY-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001414174349 926109321 /nfs/dbraw/zinc/10/93/21/926109321.db2.gz LGHJMWFKULAFHL-GRYCIOLGSA-N 1 1 321.385 -1.222 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001414354557 926120875 /nfs/dbraw/zinc/12/08/75/926120875.db2.gz ARHJDILKKJIVAM-CMPLNLGQSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001414367185 926123964 /nfs/dbraw/zinc/12/39/64/926123964.db2.gz QOLHCNOCMBJRGB-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001414558507 926131440 /nfs/dbraw/zinc/13/14/40/926131440.db2.gz FZXQQPSXNZTHRP-UWVGGRQHSA-N 1 1 318.399 -1.468 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001414557187 926131768 /nfs/dbraw/zinc/13/17/68/926131768.db2.gz APIIHFKCDNHKAI-MNOVXSKESA-N 1 1 320.415 -1.221 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001414553844 926132520 /nfs/dbraw/zinc/13/25/20/926132520.db2.gz GBMWWBJKDVAYMZ-VXGBXAGGSA-N 1 1 312.418 -1.055 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NCc2nnn(C)n2)CC[N@@H+](C)C1 ZINC001414627911 926136836 /nfs/dbraw/zinc/13/68/36/926136836.db2.gz WUIDHARMAIIKEE-VIFPVBQESA-N 1 1 311.346 -1.544 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001414648484 926138476 /nfs/dbraw/zinc/13/84/76/926138476.db2.gz DMPRTEXMHKWOAY-SNVBAGLBSA-N 1 1 308.404 -1.756 20 0 DAADMO Cn1cc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(=O)[nH]c1=O ZINC001414746408 926144718 /nfs/dbraw/zinc/14/47/18/926144718.db2.gz VXTBPBIEEFHOMD-WDEREUQCSA-N 1 1 323.353 -1.554 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001414789080 926147065 /nfs/dbraw/zinc/14/70/65/926147065.db2.gz RQITWVICHBNHOX-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001414776771 926147101 /nfs/dbraw/zinc/14/71/01/926147101.db2.gz AEQJPGJJKZUEAL-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001414791724 926147608 /nfs/dbraw/zinc/14/76/08/926147608.db2.gz WVGBUSLAEUVPDZ-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001414946756 926153512 /nfs/dbraw/zinc/15/35/12/926153512.db2.gz HMHUOJLLAKHQJQ-SRVKXCTJSA-N 1 1 312.370 -1.784 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001414946756 926153516 /nfs/dbraw/zinc/15/35/16/926153516.db2.gz HMHUOJLLAKHQJQ-SRVKXCTJSA-N 1 1 312.370 -1.784 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001415074220 926159696 /nfs/dbraw/zinc/15/96/96/926159696.db2.gz OLORISYBVDLXQH-IAZYJMLFSA-N 1 1 321.385 -1.262 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001415072599 926159941 /nfs/dbraw/zinc/15/99/41/926159941.db2.gz RVECEXYDAPEKST-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415132372 926164142 /nfs/dbraw/zinc/16/41/42/926164142.db2.gz HZHHPCPVMWSRMX-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415132372 926164148 /nfs/dbraw/zinc/16/41/48/926164148.db2.gz HZHHPCPVMWSRMX-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001415127948 926164482 /nfs/dbraw/zinc/16/44/82/926164482.db2.gz CAJLTTSMSAJJTK-GFCCVEGCSA-N 1 1 320.357 -1.925 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001415168291 926166912 /nfs/dbraw/zinc/16/69/12/926166912.db2.gz CCLALJHOMQDLNA-GXSJLCMTSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415169148 926166994 /nfs/dbraw/zinc/16/69/94/926166994.db2.gz HUAKYCLXMOWORG-VHSXEESVSA-N 1 1 317.411 -1.396 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415169143 926167360 /nfs/dbraw/zinc/16/73/60/926167360.db2.gz HUAKYCLXMOWORG-UWVGGRQHSA-N 1 1 317.411 -1.396 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001415208943 926170431 /nfs/dbraw/zinc/17/04/31/926170431.db2.gz HLGZCXRNZVYPSI-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001415313329 926176358 /nfs/dbraw/zinc/17/63/58/926176358.db2.gz IEJAQCKCHADJRY-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415446355 926181110 /nfs/dbraw/zinc/18/11/10/926181110.db2.gz ZHDSFXWUYGINHE-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415446355 926181118 /nfs/dbraw/zinc/18/11/18/926181118.db2.gz ZHDSFXWUYGINHE-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cn1cccn1 ZINC001415464194 926183626 /nfs/dbraw/zinc/18/36/26/926183626.db2.gz GJFKULMIGPMVAI-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cn1cccn1 ZINC001415464194 926183636 /nfs/dbraw/zinc/18/36/36/926183636.db2.gz GJFKULMIGPMVAI-LBPRGKRZSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)c1nccnc1N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415462665 926184021 /nfs/dbraw/zinc/18/40/21/926184021.db2.gz LMRJCQPBTVQIQT-SNVBAGLBSA-N 1 1 322.369 -1.422 20 0 DAADMO CN(CCNC(=O)c1nccnc1N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415462665 926184026 /nfs/dbraw/zinc/18/40/26/926184026.db2.gz LMRJCQPBTVQIQT-SNVBAGLBSA-N 1 1 322.369 -1.422 20 0 DAADMO CN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415482710 926185124 /nfs/dbraw/zinc/18/51/24/926185124.db2.gz BKHDRJNSMNXDPK-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415482710 926185132 /nfs/dbraw/zinc/18/51/32/926185132.db2.gz BKHDRJNSMNXDPK-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415468261 926185239 /nfs/dbraw/zinc/18/52/39/926185239.db2.gz FKDNDHCKDYYMME-VXGBXAGGSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415468261 926185244 /nfs/dbraw/zinc/18/52/44/926185244.db2.gz FKDNDHCKDYYMME-VXGBXAGGSA-N 1 1 317.386 -1.447 20 0 DAADMO CC(=O)N1CC(C(=O)NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415480640 926185463 /nfs/dbraw/zinc/18/54/63/926185463.db2.gz YYORISWZCSNYAW-GFCCVEGCSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(CCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415482709 926185480 /nfs/dbraw/zinc/18/54/80/926185480.db2.gz BKHDRJNSMNXDPK-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415482709 926185483 /nfs/dbraw/zinc/18/54/83/926185483.db2.gz BKHDRJNSMNXDPK-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CNC(=O)N1 ZINC001415468852 926185618 /nfs/dbraw/zinc/18/56/18/926185618.db2.gz HTYXKIGMSXYXTP-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CNC(=O)N1 ZINC001415468852 926185622 /nfs/dbraw/zinc/18/56/22/926185622.db2.gz HTYXKIGMSXYXTP-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415488019 926186388 /nfs/dbraw/zinc/18/63/88/926186388.db2.gz ODDHELBFFHQIAU-SNVBAGLBSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415488019 926186395 /nfs/dbraw/zinc/18/63/95/926186395.db2.gz ODDHELBFFHQIAU-SNVBAGLBSA-N 1 1 310.358 -1.666 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)CN1CN=NC1=O ZINC001415499613 926188673 /nfs/dbraw/zinc/18/86/73/926188673.db2.gz CFCXGKMIMFIUPO-UHFFFAOYSA-N 1 1 321.341 -1.237 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)CS(C)(=O)=O ZINC001415502950 926188700 /nfs/dbraw/zinc/18/87/00/926188700.db2.gz RSNCGYPAOXMCSQ-UHFFFAOYSA-N 1 1 316.383 -1.189 20 0 DAADMO CN(CCNC(=O)c1ccn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415500131 926188713 /nfs/dbraw/zinc/18/87/13/926188713.db2.gz JQQKCEALCMCACV-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1ccn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415500131 926188718 /nfs/dbraw/zinc/18/87/18/926188718.db2.gz JQQKCEALCMCACV-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415582339 926194502 /nfs/dbraw/zinc/19/45/02/926194502.db2.gz QLKCTBNNOAZYJS-QNWHQSFQSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415582339 926194507 /nfs/dbraw/zinc/19/45/07/926194507.db2.gz QLKCTBNNOAZYJS-QNWHQSFQSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415591809 926196600 /nfs/dbraw/zinc/19/66/00/926196600.db2.gz JUQQPBPPGUQBJL-LLVKDONJSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415591809 926196605 /nfs/dbraw/zinc/19/66/05/926196605.db2.gz JUQQPBPPGUQBJL-LLVKDONJSA-N 1 1 309.370 -1.143 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CN=NC1=O ZINC001415612682 926198270 /nfs/dbraw/zinc/19/82/70/926198270.db2.gz AHDPQUNQTNHLHY-UHFFFAOYSA-N 1 1 312.374 -1.100 20 0 DAADMO CCN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415665005 926201136 /nfs/dbraw/zinc/20/11/36/926201136.db2.gz PXRUZFGTGCSWRF-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415665005 926201145 /nfs/dbraw/zinc/20/11/45/926201145.db2.gz PXRUZFGTGCSWRF-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO Cn1nnc(C(=O)N(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001415854939 926206689 /nfs/dbraw/zinc/20/66/89/926206689.db2.gz DBFLEWVVWKCIPZ-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001416013753 926217436 /nfs/dbraw/zinc/21/74/36/926217436.db2.gz LBRRTAZIDJEZMQ-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1)C1CCC1 ZINC001416010809 926218461 /nfs/dbraw/zinc/21/84/61/926218461.db2.gz HNYGKNZRHGYLEQ-NSHDSACASA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001416023472 926220173 /nfs/dbraw/zinc/22/01/73/926220173.db2.gz PWRPWOGAOXGEEP-UHFFFAOYSA-N 1 1 308.342 -1.423 20 0 DAADMO C[N@@H+](CC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001416095348 926227539 /nfs/dbraw/zinc/22/75/39/926227539.db2.gz BUXHPFYSCVJZRQ-LBPRGKRZSA-N 1 1 323.397 -1.273 20 0 DAADMO CC[C@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)Cn1ncnn1 ZINC001416249408 926235166 /nfs/dbraw/zinc/23/51/66/926235166.db2.gz LNWSTKIHVYXWMF-LLVKDONJSA-N 1 1 320.357 -1.111 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001416226334 926235381 /nfs/dbraw/zinc/23/53/81/926235381.db2.gz VAKALJCVVIMCMU-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001416226337 926235534 /nfs/dbraw/zinc/23/55/34/926235534.db2.gz UHTCRHJIJSFOFK-WDEREUQCSA-N 1 1 322.369 -1.116 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001416381159 926237857 /nfs/dbraw/zinc/23/78/57/926237857.db2.gz VBNZSAFRKZBORQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001416381159 926237864 /nfs/dbraw/zinc/23/78/64/926237864.db2.gz VBNZSAFRKZBORQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416475521 926240636 /nfs/dbraw/zinc/24/06/36/926240636.db2.gz UIFYVEZWMOBOEL-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001416475370 926241200 /nfs/dbraw/zinc/24/12/00/926241200.db2.gz SVEHDTLFFQMCNI-NWDGAFQWSA-N 1 1 323.401 -1.117 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001416480888 926241506 /nfs/dbraw/zinc/24/15/06/926241506.db2.gz MPMVVGVDSBDVHN-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001416480891 926241709 /nfs/dbraw/zinc/24/17/09/926241709.db2.gz MPMVVGVDSBDVHN-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)Cn1ncnn1 ZINC001416661175 926244408 /nfs/dbraw/zinc/24/44/08/926244408.db2.gz GRRPOHZAHPWVJB-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001416730042 926252893 /nfs/dbraw/zinc/25/28/93/926252893.db2.gz JLQICZYAJMMKMX-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001416732238 926254457 /nfs/dbraw/zinc/25/44/57/926254457.db2.gz CNRANEHZPVLPND-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416736924 926255912 /nfs/dbraw/zinc/25/59/12/926255912.db2.gz GAIJLKAWOXTDRT-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416736924 926255921 /nfs/dbraw/zinc/25/59/21/926255921.db2.gz GAIJLKAWOXTDRT-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001416736944 926257088 /nfs/dbraw/zinc/25/70/88/926257088.db2.gz BUIAAEJUOGLRIN-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001416738571 926257314 /nfs/dbraw/zinc/25/73/14/926257314.db2.gz FMIHZFPSKWYSIB-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001416741166 926258671 /nfs/dbraw/zinc/25/86/71/926258671.db2.gz LBIMEBBWAJIDSD-ZJUUUORDSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001416742610 926259254 /nfs/dbraw/zinc/25/92/54/926259254.db2.gz NDHCIVRROBMQBS-RYUDHWBXSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001416741217 926259825 /nfs/dbraw/zinc/25/98/25/926259825.db2.gz LJTZFZXDBGIZSP-NEPJUHHUSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001416744029 926260484 /nfs/dbraw/zinc/26/04/84/926260484.db2.gz YKQOYZOSCALZEX-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001416744026 926261289 /nfs/dbraw/zinc/26/12/89/926261289.db2.gz YKQOYZOSCALZEX-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001416744032 926261687 /nfs/dbraw/zinc/26/16/87/926261687.db2.gz YKQOYZOSCALZEX-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001416757832 926266010 /nfs/dbraw/zinc/26/60/10/926266010.db2.gz KDQDZLWYUHZIBS-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001416759870 926267228 /nfs/dbraw/zinc/26/72/28/926267228.db2.gz IQMRBOUUDYKTPC-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001416761578 926268109 /nfs/dbraw/zinc/26/81/09/926268109.db2.gz OUWSANMZDCXZMG-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761578 926268117 /nfs/dbraw/zinc/26/81/17/926268117.db2.gz OUWSANMZDCXZMG-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761578 926268125 /nfs/dbraw/zinc/26/81/25/926268125.db2.gz OUWSANMZDCXZMG-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761578 926268131 /nfs/dbraw/zinc/26/81/31/926268131.db2.gz OUWSANMZDCXZMG-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761578 926268138 /nfs/dbraw/zinc/26/81/38/926268138.db2.gz OUWSANMZDCXZMG-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001416769719 926271268 /nfs/dbraw/zinc/27/12/68/926271268.db2.gz DDHFKMKWZVNWFA-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001416773137 926272694 /nfs/dbraw/zinc/27/26/94/926272694.db2.gz PMLNTHFMRLFHDO-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001416778076 926273353 /nfs/dbraw/zinc/27/33/53/926273353.db2.gz OITMENOORRFYHK-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001416779527 926274526 /nfs/dbraw/zinc/27/45/26/926274526.db2.gz ROEQURANJIYAOP-GFCCVEGCSA-N 1 1 321.381 -1.359 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001416780253 926274836 /nfs/dbraw/zinc/27/48/36/926274836.db2.gz XEDHYRZPVIEMFL-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001416780253 926274845 /nfs/dbraw/zinc/27/48/45/926274845.db2.gz XEDHYRZPVIEMFL-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001416780253 926274852 /nfs/dbraw/zinc/27/48/52/926274852.db2.gz XEDHYRZPVIEMFL-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001416780253 926274857 /nfs/dbraw/zinc/27/48/57/926274857.db2.gz XEDHYRZPVIEMFL-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001416780253 926274863 /nfs/dbraw/zinc/27/48/63/926274863.db2.gz XEDHYRZPVIEMFL-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416796726 926276915 /nfs/dbraw/zinc/27/69/15/926276915.db2.gz UBRPDMRINUCCNG-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416796726 926276920 /nfs/dbraw/zinc/27/69/20/926276920.db2.gz UBRPDMRINUCCNG-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1(NC(N)=O)CC1 ZINC001416803417 926277552 /nfs/dbraw/zinc/27/75/52/926277552.db2.gz MOMHEHFMGXWZNM-NXEZZACHSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001416816877 926279860 /nfs/dbraw/zinc/27/98/60/926279860.db2.gz DRHMHWIJENJFPK-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416881676 926284731 /nfs/dbraw/zinc/28/47/31/926284731.db2.gz QSFZTJOCWSWEQG-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416881676 926284740 /nfs/dbraw/zinc/28/47/40/926284740.db2.gz QSFZTJOCWSWEQG-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)c1nnn(C)n1 ZINC001416934740 926289455 /nfs/dbraw/zinc/28/94/55/926289455.db2.gz YSOMPLGWXHUFJD-VIFPVBQESA-N 1 1 309.374 -1.071 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001416997287 926292461 /nfs/dbraw/zinc/29/24/61/926292461.db2.gz KIFSWXFTRIGEDE-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001417030110 926295335 /nfs/dbraw/zinc/29/53/35/926295335.db2.gz YXRYPXSIZIJIMZ-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CNC(=O)NC ZINC001417036679 926296840 /nfs/dbraw/zinc/29/68/40/926296840.db2.gz PGEGMFBACZJBEH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(NC(N)=O)CC2)C1 ZINC001417038328 926296971 /nfs/dbraw/zinc/29/69/71/926296971.db2.gz YYDRBSNDPSKYFJ-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001417117377 926300855 /nfs/dbraw/zinc/30/08/55/926300855.db2.gz NQWLBJOAVYZNAA-LLVKDONJSA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001417117377 926300860 /nfs/dbraw/zinc/30/08/60/926300860.db2.gz NQWLBJOAVYZNAA-LLVKDONJSA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001417117001 926301632 /nfs/dbraw/zinc/30/16/32/926301632.db2.gz YKSKGXCPLOTFIU-VWYCJHECSA-N 1 1 308.382 -1.033 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417237879 926307260 /nfs/dbraw/zinc/30/72/60/926307260.db2.gz GQRYVBQLNWSCIX-SNVBAGLBSA-N 1 1 317.411 -1.348 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001417252380 926309071 /nfs/dbraw/zinc/30/90/71/926309071.db2.gz OWHAYEUFJHMTNU-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CCNC(N)=O)C1 ZINC001417251676 926309449 /nfs/dbraw/zinc/30/94/49/926309449.db2.gz FXCKJBNFVKOJHY-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CCNC(N)=O)C1 ZINC001417251674 926309496 /nfs/dbraw/zinc/30/94/96/926309496.db2.gz FXCKJBNFVKOJHY-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CN(C(=O)CNC(N)=O)C1 ZINC001417263053 926310794 /nfs/dbraw/zinc/31/07/94/926310794.db2.gz ZCBLVZNWBCVMPC-HNNXBMFYSA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001417261373 926311371 /nfs/dbraw/zinc/31/13/71/926311371.db2.gz BCACLEUDUMVLER-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001417309124 926313003 /nfs/dbraw/zinc/31/30/03/926313003.db2.gz SJYCEVQYLKWMCQ-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001417331652 926313242 /nfs/dbraw/zinc/31/32/42/926313242.db2.gz XDCGOUXFBPAOSZ-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001417446442 926316205 /nfs/dbraw/zinc/31/62/05/926316205.db2.gz LXSVLLFFBLKNTJ-BDAKNGLRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001417446443 926317031 /nfs/dbraw/zinc/31/70/31/926317031.db2.gz LXSVLLFFBLKNTJ-DTWKUNHWSA-N 1 1 305.346 -1.411 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](CO)NC(N)=O)C1 ZINC001417600702 926320084 /nfs/dbraw/zinc/32/00/84/926320084.db2.gz ZWOFMFSUYWWTBN-MNOVXSKESA-N 1 1 302.375 -1.511 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001417619228 926320469 /nfs/dbraw/zinc/32/04/69/926320469.db2.gz ROTACSXSMHXATD-GHMZBOCLSA-N 1 1 315.370 -1.291 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC001417636323 926322036 /nfs/dbraw/zinc/32/20/36/926322036.db2.gz VXCOVJOCYFVBDD-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC001417636323 926322047 /nfs/dbraw/zinc/32/20/47/926322047.db2.gz VXCOVJOCYFVBDD-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC001417636323 926322052 /nfs/dbraw/zinc/32/20/52/926322052.db2.gz VXCOVJOCYFVBDD-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)C1 ZINC001417636323 926322060 /nfs/dbraw/zinc/32/20/60/926322060.db2.gz VXCOVJOCYFVBDD-MFKMUULPSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001417636322 926322121 /nfs/dbraw/zinc/32/21/21/926322121.db2.gz VXCOVJOCYFVBDD-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC001417636322 926322140 /nfs/dbraw/zinc/32/21/40/926322140.db2.gz VXCOVJOCYFVBDD-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC001417636322 926322151 /nfs/dbraw/zinc/32/21/51/926322151.db2.gz VXCOVJOCYFVBDD-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC001417636322 926322162 /nfs/dbraw/zinc/32/21/62/926322162.db2.gz VXCOVJOCYFVBDD-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001417668485 926325553 /nfs/dbraw/zinc/32/55/53/926325553.db2.gz BGJDRWZZWKRKGL-PWSUYJOCSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001417668485 926325562 /nfs/dbraw/zinc/32/55/62/926325562.db2.gz BGJDRWZZWKRKGL-PWSUYJOCSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001417668483 926326559 /nfs/dbraw/zinc/32/65/59/926326559.db2.gz BGJDRWZZWKRKGL-CMPLNLGQSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001417668483 926326566 /nfs/dbraw/zinc/32/65/66/926326566.db2.gz BGJDRWZZWKRKGL-CMPLNLGQSA-N 1 1 312.370 -1.208 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCn1ncn(C)c1=O ZINC001417735775 926333197 /nfs/dbraw/zinc/33/31/97/926333197.db2.gz FZOLWXAKKPCTFT-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001417738104 926333878 /nfs/dbraw/zinc/33/38/78/926333878.db2.gz TXSCPWTYUDXWSP-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2nc(CNCC(N)=O)cc(=O)[nH]2)C1 ZINC001417819304 926338741 /nfs/dbraw/zinc/33/87/41/926338741.db2.gz CXUCPDCJWPRLKT-VIFPVBQESA-N 1 1 322.369 -1.675 20 0 DAADMO CO[C@H](C)C(=O)NCc1nc(C[NH2+][C@H](C)C(N)=O)cc(=O)[nH]1 ZINC001417820830 926338877 /nfs/dbraw/zinc/33/88/77/926338877.db2.gz XGSMFEIXTNWVDV-HTQZYQBOSA-N 1 1 311.342 -1.203 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417839274 926340104 /nfs/dbraw/zinc/34/01/04/926340104.db2.gz GCABSKFERBTESD-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)CC[N@H+]1C[C@H](C)O ZINC001417825530 926340434 /nfs/dbraw/zinc/34/04/34/926340434.db2.gz PBHSESCOUNVARP-GARJFASQSA-N 1 1 322.431 -1.610 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001417829940 926341061 /nfs/dbraw/zinc/34/10/61/926341061.db2.gz KJVNHJQARLCPPN-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001417829940 926341070 /nfs/dbraw/zinc/34/10/70/926341070.db2.gz KJVNHJQARLCPPN-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417839672 926341080 /nfs/dbraw/zinc/34/10/80/926341080.db2.gz HOWRSGFYJLGHEL-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417839672 926341081 /nfs/dbraw/zinc/34/10/81/926341081.db2.gz HOWRSGFYJLGHEL-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001417834010 926342374 /nfs/dbraw/zinc/34/23/74/926342374.db2.gz YAZNCJOHMNHUQR-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001417834010 926342383 /nfs/dbraw/zinc/34/23/83/926342383.db2.gz YAZNCJOHMNHUQR-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO COCC(=O)NCCN1CC[NH+](CCN2CCCC2=O)CC1 ZINC001417918848 926346281 /nfs/dbraw/zinc/34/62/81/926346281.db2.gz UFPMEZSGQLZHHC-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO Cc1nc(CC(=O)NCCN2CC[NH+](C[C@H](C)O)CC2)n[nH]1 ZINC001417918190 926347109 /nfs/dbraw/zinc/34/71/09/926347109.db2.gz OMJXXRMMAFNHQZ-NSHDSACASA-N 1 1 310.402 -1.230 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001417944812 926352006 /nfs/dbraw/zinc/35/20/06/926352006.db2.gz ODXPFVOVILYMKI-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001417944812 926352009 /nfs/dbraw/zinc/35/20/09/926352009.db2.gz ODXPFVOVILYMKI-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc(CN2CC[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001417944608 926352596 /nfs/dbraw/zinc/35/25/96/926352596.db2.gz SLTCLVNXZUTDKN-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001417938896 926352635 /nfs/dbraw/zinc/35/26/35/926352635.db2.gz NADYBCUDZAEEOS-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001417938568 926352775 /nfs/dbraw/zinc/35/27/75/926352775.db2.gz CHBWPFOWTYKNQJ-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001417938568 926352785 /nfs/dbraw/zinc/35/27/85/926352785.db2.gz CHBWPFOWTYKNQJ-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001417938861 926353204 /nfs/dbraw/zinc/35/32/04/926353204.db2.gz ITUBRLURDKGDNP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001417938861 926353215 /nfs/dbraw/zinc/35/32/15/926353215.db2.gz ITUBRLURDKGDNP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001417942158 926353527 /nfs/dbraw/zinc/35/35/27/926353527.db2.gz YGCMIXWUWZODIW-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001417942158 926353536 /nfs/dbraw/zinc/35/35/36/926353536.db2.gz YGCMIXWUWZODIW-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001417942215 926353803 /nfs/dbraw/zinc/35/38/03/926353803.db2.gz ZSBCFIOYLGQKRU-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001417942215 926353811 /nfs/dbraw/zinc/35/38/11/926353811.db2.gz ZSBCFIOYLGQKRU-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001417974568 926355340 /nfs/dbraw/zinc/35/53/40/926355340.db2.gz CIVLGMUZISZWKQ-WPRPVWTQSA-N 1 1 324.389 -1.359 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001418019305 926357524 /nfs/dbraw/zinc/35/75/24/926357524.db2.gz HSYCDCSYMWUVLD-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)nn1 ZINC001417996852 926357656 /nfs/dbraw/zinc/35/76/56/926357656.db2.gz PJKKVNXGAXNQSP-GRYCIOLGSA-N 1 1 306.370 -1.079 20 0 DAADMO CCc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001418036240 926358934 /nfs/dbraw/zinc/35/89/34/926358934.db2.gz DIUCXYPTPHFOJA-VIFPVBQESA-N 1 1 308.342 -1.029 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001418034186 926358999 /nfs/dbraw/zinc/35/89/99/926358999.db2.gz LMXMKPWCZQDLDA-USZNOCQGSA-N 1 1 312.370 -1.650 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001418040499 926359026 /nfs/dbraw/zinc/35/90/26/926359026.db2.gz GXPOQXXTCGVJEF-BDAKNGLRSA-N 1 1 310.362 -1.609 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001418042617 926360513 /nfs/dbraw/zinc/36/05/13/926360513.db2.gz HELTZFNBFGNDKB-NSHDSACASA-N 1 1 315.399 -1.028 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001418042617 926360522 /nfs/dbraw/zinc/36/05/22/926360522.db2.gz HELTZFNBFGNDKB-NSHDSACASA-N 1 1 315.399 -1.028 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418072139 926362870 /nfs/dbraw/zinc/36/28/70/926362870.db2.gz MFSHSELDJOLRLI-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001418125210 926365622 /nfs/dbraw/zinc/36/56/22/926365622.db2.gz RUSSYLNWZZGHPI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001418125210 926365631 /nfs/dbraw/zinc/36/56/31/926365631.db2.gz RUSSYLNWZZGHPI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001418123243 926365830 /nfs/dbraw/zinc/36/58/30/926365830.db2.gz ZJNGRRMPBOSSFD-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1=O ZINC001418124541 926366124 /nfs/dbraw/zinc/36/61/24/926366124.db2.gz JKXQJIYVRQYREG-ZDUSSCGKSA-N 1 1 312.414 -1.419 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001418123021 926366382 /nfs/dbraw/zinc/36/63/82/926366382.db2.gz DDCZVCIEQRLMOA-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001418111931 926366901 /nfs/dbraw/zinc/36/69/01/926366901.db2.gz MUQWGSRCZRBHPY-OCAPTIKFSA-N 1 1 303.344 -1.644 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001418119281 926367010 /nfs/dbraw/zinc/36/70/10/926367010.db2.gz BDPVTTGDQPCGLH-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418148966 926367563 /nfs/dbraw/zinc/36/75/63/926367563.db2.gz BLJQKLLZXHHRAQ-SNVBAGLBSA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418148966 926367569 /nfs/dbraw/zinc/36/75/69/926367569.db2.gz BLJQKLLZXHHRAQ-SNVBAGLBSA-N 1 1 323.353 -1.595 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001418176312 926367603 /nfs/dbraw/zinc/36/76/03/926367603.db2.gz ZMLZPVYNPZEJOM-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001418136105 926367965 /nfs/dbraw/zinc/36/79/65/926367965.db2.gz STCZGHAIGXYDEJ-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001418136105 926367975 /nfs/dbraw/zinc/36/79/75/926367975.db2.gz STCZGHAIGXYDEJ-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CCCC[N@H+]2CCCO)n1 ZINC001418146122 926368081 /nfs/dbraw/zinc/36/80/81/926368081.db2.gz AFMGLBLQCYGPRF-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001418136108 926368257 /nfs/dbraw/zinc/36/82/57/926368257.db2.gz STCZGHAIGXYDEJ-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001418136108 926368267 /nfs/dbraw/zinc/36/82/67/926368267.db2.gz STCZGHAIGXYDEJ-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001418213882 926369937 /nfs/dbraw/zinc/36/99/37/926369937.db2.gz ZDTPNKUYRWQZPI-MRVPVSSYSA-N 1 1 311.346 -1.042 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001418176320 926370163 /nfs/dbraw/zinc/37/01/63/926370163.db2.gz ZMLZPVYNPZEJOM-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001418176316 926371220 /nfs/dbraw/zinc/37/12/20/926371220.db2.gz ZMLZPVYNPZEJOM-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001418217064 926372153 /nfs/dbraw/zinc/37/21/53/926372153.db2.gz GZJPZCROVRLKIK-IUCAKERBSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001418230863 926373020 /nfs/dbraw/zinc/37/30/20/926373020.db2.gz ARBQJKYUIXWYLV-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001418235583 926373706 /nfs/dbraw/zinc/37/37/06/926373706.db2.gz OEFBQVKGLWIGFW-MRVPVSSYSA-N 1 1 319.391 -2.304 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1nnnn1C ZINC001418241851 926373975 /nfs/dbraw/zinc/37/39/75/926373975.db2.gz FFMIOSYFQIDZRE-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001418255476 926376419 /nfs/dbraw/zinc/37/64/19/926376419.db2.gz WWHPMGVEPYINIA-MRVPVSSYSA-N 1 1 308.346 -1.697 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418252824 926376467 /nfs/dbraw/zinc/37/64/67/926376467.db2.gz YVTZJRNSNVBCNJ-QMMMGPOBSA-N 1 1 322.325 -1.065 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001418268659 926376978 /nfs/dbraw/zinc/37/69/78/926376978.db2.gz XFNMCNISKKYWQY-ZJUUUORDSA-N 1 1 324.389 -1.251 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418263176 926377687 /nfs/dbraw/zinc/37/76/87/926377687.db2.gz RZHRRQUHIWTYKE-NXEZZACHSA-N 1 1 324.389 -1.299 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001418283607 926378266 /nfs/dbraw/zinc/37/82/66/926378266.db2.gz RTYLBTWZXQQOFD-VIFPVBQESA-N 1 1 307.362 -1.434 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ccon1)C(N)=O ZINC001418281368 926378674 /nfs/dbraw/zinc/37/86/74/926378674.db2.gz NZTWHNKCPTZGLX-KCJUWKMLSA-N 1 1 311.342 -1.351 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001418299729 926379344 /nfs/dbraw/zinc/37/93/44/926379344.db2.gz YQFUIMSDVNTFQA-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001418299729 926379350 /nfs/dbraw/zinc/37/93/50/926379350.db2.gz YQFUIMSDVNTFQA-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1ncnn1C ZINC001418311349 926381583 /nfs/dbraw/zinc/38/15/83/926381583.db2.gz AMEITQHILALFLJ-NXEZZACHSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1ncnn1C ZINC001418311351 926382232 /nfs/dbraw/zinc/38/22/32/926382232.db2.gz AMEITQHILALFLJ-UWVGGRQHSA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CCS(C)(=O)=O)C2)nn1 ZINC001418330368 926383971 /nfs/dbraw/zinc/38/39/71/926383971.db2.gz JCPFMZPYFRBZMN-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418354015 926385341 /nfs/dbraw/zinc/38/53/41/926385341.db2.gz FAKFCSYMSUKEPF-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418360864 926385455 /nfs/dbraw/zinc/38/54/55/926385455.db2.gz WYLCQHZBCMYQRP-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001418373223 926386412 /nfs/dbraw/zinc/38/64/12/926386412.db2.gz JXCNVYLNZGUBEM-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO NC(=O)Cn1cc(NC(=O)C[NH+]2CCC(CO)CC2)ccc1=O ZINC001418366781 926387530 /nfs/dbraw/zinc/38/75/30/926387530.db2.gz FEHWVMBATKUGLW-UHFFFAOYSA-N 1 1 322.365 -1.024 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCC1=O)C[C@@H](O)Cn1cccn1 ZINC001418434226 926388535 /nfs/dbraw/zinc/38/85/35/926388535.db2.gz DCSZNLZPLSYKTG-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCC1=O)C[C@H](O)Cn1cccn1 ZINC001418434228 926389014 /nfs/dbraw/zinc/38/90/14/926389014.db2.gz DCSZNLZPLSYKTG-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)Cn1cnnn1)CS(C)(=O)=O ZINC001418434230 926389412 /nfs/dbraw/zinc/38/94/12/926389412.db2.gz DFJNHRKWAWJUJR-JTQLQIEISA-N 1 1 318.403 -1.598 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)Cn1cnnn1)CS(C)(=O)=O ZINC001418434230 926389421 /nfs/dbraw/zinc/38/94/21/926389421.db2.gz DFJNHRKWAWJUJR-JTQLQIEISA-N 1 1 318.403 -1.598 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001418464637 926390563 /nfs/dbraw/zinc/39/05/63/926390563.db2.gz DOBQAWUNQLIXKV-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCN(C2CCC2)C1=O ZINC001418459193 926391142 /nfs/dbraw/zinc/39/11/42/926391142.db2.gz GJTLVABULJSENO-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)[C@H]1CCN(C2CCC2)C1=O ZINC001418459193 926391150 /nfs/dbraw/zinc/39/11/50/926391150.db2.gz GJTLVABULJSENO-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418447975 926391431 /nfs/dbraw/zinc/39/14/31/926391431.db2.gz JFAOSSSGSPMWHP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001418447266 926391580 /nfs/dbraw/zinc/39/15/80/926391580.db2.gz CVDUTBFGXALKLT-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001418447266 926391589 /nfs/dbraw/zinc/39/15/89/926391589.db2.gz CVDUTBFGXALKLT-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001418446875 926391711 /nfs/dbraw/zinc/39/17/11/926391711.db2.gz BMAOOLPAWPOLBY-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001418446875 926391714 /nfs/dbraw/zinc/39/17/14/926391714.db2.gz BMAOOLPAWPOLBY-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001418448371 926391727 /nfs/dbraw/zinc/39/17/27/926391727.db2.gz MXLSASUDLOPATI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001418448371 926391732 /nfs/dbraw/zinc/39/17/32/926391732.db2.gz MXLSASUDLOPATI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001418446877 926391781 /nfs/dbraw/zinc/39/17/81/926391781.db2.gz BMAOOLPAWPOLBY-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC001418446877 926391784 /nfs/dbraw/zinc/39/17/84/926391784.db2.gz BMAOOLPAWPOLBY-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001418448379 926392015 /nfs/dbraw/zinc/39/20/15/926392015.db2.gz MXLSASUDLOPATI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001418448379 926392023 /nfs/dbraw/zinc/39/20/23/926392023.db2.gz MXLSASUDLOPATI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485351 926392555 /nfs/dbraw/zinc/39/25/55/926392555.db2.gz AAUVBCQXMHLRTQ-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485351 926392560 /nfs/dbraw/zinc/39/25/60/926392560.db2.gz AAUVBCQXMHLRTQ-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001418466076 926392586 /nfs/dbraw/zinc/39/25/86/926392586.db2.gz MTCSWKYDOVZBNJ-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001418466076 926392590 /nfs/dbraw/zinc/39/25/90/926392590.db2.gz MTCSWKYDOVZBNJ-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](F)CC[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418481632 926392829 /nfs/dbraw/zinc/39/28/29/926392829.db2.gz IYNSZWAMUMVWMN-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@H](F)CC[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418481632 926392841 /nfs/dbraw/zinc/39/28/41/926392841.db2.gz IYNSZWAMUMVWMN-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001418484380 926393197 /nfs/dbraw/zinc/39/31/97/926393197.db2.gz QDIHHWXCZHXDJE-JTQLQIEISA-N 1 1 308.404 -1.875 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001418480412 926394394 /nfs/dbraw/zinc/39/43/94/926394394.db2.gz NUHPBLAJXJDJON-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001418480412 926394403 /nfs/dbraw/zinc/39/44/03/926394403.db2.gz NUHPBLAJXJDJON-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488516 926395151 /nfs/dbraw/zinc/39/51/51/926395151.db2.gz PZTAKLPNYNPLCK-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488516 926395156 /nfs/dbraw/zinc/39/51/56/926395156.db2.gz PZTAKLPNYNPLCK-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001418498366 926395196 /nfs/dbraw/zinc/39/51/96/926395196.db2.gz MGJSRIRKMKDJQZ-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001418498366 926395204 /nfs/dbraw/zinc/39/52/04/926395204.db2.gz MGJSRIRKMKDJQZ-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001418500642 926395779 /nfs/dbraw/zinc/39/57/79/926395779.db2.gz CXOYTLREJWFKIZ-LLVKDONJSA-N 1 1 312.374 -1.392 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496319 926395925 /nfs/dbraw/zinc/39/59/25/926395925.db2.gz RDVWVVZDILZMNU-ZJUUUORDSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)CS(C)(=O)=O ZINC001418496319 926395932 /nfs/dbraw/zinc/39/59/32/926395932.db2.gz RDVWVVZDILZMNU-ZJUUUORDSA-N 1 1 320.415 -1.604 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001418490305 926395977 /nfs/dbraw/zinc/39/59/77/926395977.db2.gz YWQUXTKJHMUWOI-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001418490305 926395987 /nfs/dbraw/zinc/39/59/87/926395987.db2.gz YWQUXTKJHMUWOI-UFBFGSQYSA-N 1 1 304.322 -1.254 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001418488186 926396022 /nfs/dbraw/zinc/39/60/22/926396022.db2.gz BWRPNNSXUKFJPD-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418490682 926396686 /nfs/dbraw/zinc/39/66/86/926396686.db2.gz XQXMHLGFYHEOAB-LLVKDONJSA-N 1 1 302.375 -2.527 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)[C@H]1CCNC1=O ZINC001418513619 926398174 /nfs/dbraw/zinc/39/81/74/926398174.db2.gz QCNLNAZFKWVKEB-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)[C@H]1CCNC1=O ZINC001418513619 926398180 /nfs/dbraw/zinc/39/81/80/926398180.db2.gz QCNLNAZFKWVKEB-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+](CCNC(=O)CCc1ncccn1)CC(=O)NC(N)=O ZINC001418506402 926398201 /nfs/dbraw/zinc/39/82/01/926398201.db2.gz MDMAKXKHCOCYOT-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1ncccn1)CC(=O)NC(N)=O ZINC001418506402 926398207 /nfs/dbraw/zinc/39/82/07/926398207.db2.gz MDMAKXKHCOCYOT-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)CC(=O)N(C)C ZINC001418507144 926399178 /nfs/dbraw/zinc/39/91/78/926399178.db2.gz LDVFKGKRYWLTIO-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnnn1)CC(=O)N1CCC1 ZINC001418568575 926403890 /nfs/dbraw/zinc/40/38/90/926403890.db2.gz NUFDZZQKHROCHB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)CC(=O)N1CCC1 ZINC001418568575 926403896 /nfs/dbraw/zinc/40/38/96/926403896.db2.gz NUFDZZQKHROCHB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cncn1C)[C@H](C)C(=O)NC(N)=O ZINC001418572168 926404223 /nfs/dbraw/zinc/40/42/23/926404223.db2.gz XVKISMXJIOEMPN-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cncn1C)[C@H](C)C(=O)NC(N)=O ZINC001418572168 926404226 /nfs/dbraw/zinc/40/42/26/926404226.db2.gz XVKISMXJIOEMPN-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cncn1C ZINC001418553558 926404439 /nfs/dbraw/zinc/40/44/39/926404439.db2.gz ATAUJKZGSABULM-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cncn1C ZINC001418553558 926404445 /nfs/dbraw/zinc/40/44/45/926404445.db2.gz ATAUJKZGSABULM-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnon1)[C@@H](C)C(=O)NC(=O)NC ZINC001418568720 926404550 /nfs/dbraw/zinc/40/45/50/926404550.db2.gz PGSABCAGRSZRSH-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnon1)[C@@H](C)C(=O)NC(=O)NC ZINC001418568720 926404552 /nfs/dbraw/zinc/40/45/52/926404552.db2.gz PGSABCAGRSZRSH-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001418578786 926404602 /nfs/dbraw/zinc/40/46/02/926404602.db2.gz RZOWULYGUFGALN-PWSUYJOCSA-N 1 1 314.386 -1.848 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](C)OC ZINC001418580827 926404642 /nfs/dbraw/zinc/40/46/42/926404642.db2.gz DXDJFAPIHKHPQC-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCCN(C)C1=O ZINC001418567758 926404677 /nfs/dbraw/zinc/40/46/77/926404677.db2.gz PJXIEBUJILNKRJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CC(=O)NC ZINC001418580624 926405075 /nfs/dbraw/zinc/40/50/75/926405075.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CC(=O)NC ZINC001418580624 926405084 /nfs/dbraw/zinc/40/50/84/926405084.db2.gz JFYFSCBMVZMNTD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001418578781 926405163 /nfs/dbraw/zinc/40/51/63/926405163.db2.gz RZOWULYGUFGALN-CMPLNLGQSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCNC1=O ZINC001418563419 926405398 /nfs/dbraw/zinc/40/53/98/926405398.db2.gz JJJZYPIILUGULF-DTWKUNHWSA-N 1 1 311.342 -2.089 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001418587598 926406800 /nfs/dbraw/zinc/40/68/00/926406800.db2.gz LMOLWIMPYOWGKX-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418583712 926407145 /nfs/dbraw/zinc/40/71/45/926407145.db2.gz ZCKOASLJKKRUHI-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604411 926408051 /nfs/dbraw/zinc/40/80/51/926408051.db2.gz DRUQOYJFSKEELA-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604411 926408057 /nfs/dbraw/zinc/40/80/57/926408057.db2.gz DRUQOYJFSKEELA-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)CN1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001418600271 926408461 /nfs/dbraw/zinc/40/84/61/926408461.db2.gz RIWNWWYQRIFOAT-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001418602072 926409006 /nfs/dbraw/zinc/40/90/06/926409006.db2.gz DWHCTWMKQSQRQP-LLVKDONJSA-N 1 1 305.346 -1.455 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001418624794 926410862 /nfs/dbraw/zinc/41/08/62/926410862.db2.gz ZAXUNAVUWVDHQV-PHIMTYICSA-N 1 1 319.373 -1.124 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001418634184 926411120 /nfs/dbraw/zinc/41/11/20/926411120.db2.gz IZDXGIAPWMUWGW-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001418634184 926411126 /nfs/dbraw/zinc/41/11/26/926411126.db2.gz IZDXGIAPWMUWGW-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC([NH+]3CCOCC3)CC2)nn1 ZINC001418662648 926411995 /nfs/dbraw/zinc/41/19/95/926411995.db2.gz IQDKFMZVQRFLTC-UHFFFAOYSA-N 1 1 322.369 -1.300 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418656088 926412526 /nfs/dbraw/zinc/41/25/26/926412526.db2.gz GYRRUFCVWFGUIY-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001418653641 926413285 /nfs/dbraw/zinc/41/32/85/926413285.db2.gz HGSUQILFLGIKHA-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001418679621 926414169 /nfs/dbraw/zinc/41/41/69/926414169.db2.gz VXOIRDMECTWVKT-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H]1CC[N@H+](CCO)C1 ZINC001418679081 926414289 /nfs/dbraw/zinc/41/42/89/926414289.db2.gz BYLMVGFPNLBJEB-GFCCVEGCSA-N 1 1 323.397 -1.189 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418674484 926414579 /nfs/dbraw/zinc/41/45/79/926414579.db2.gz MUSNMLSRKATGGI-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418675876 926414703 /nfs/dbraw/zinc/41/47/03/926414703.db2.gz RGMIDYCIQFIHSW-VHSXEESVSA-N 1 1 320.415 -1.633 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001418672846 926414742 /nfs/dbraw/zinc/41/47/42/926414742.db2.gz MNSWJMPKPBLZRG-NSHDSACASA-N 1 1 311.386 -2.316 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1C ZINC001418669951 926414888 /nfs/dbraw/zinc/41/48/88/926414888.db2.gz CUYNWTCSXRROIA-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)CCNC(N)=O)C2)nn1 ZINC001418697480 926415572 /nfs/dbraw/zinc/41/55/72/926415572.db2.gz RPJKHHPGOOKPIK-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)CCNC(N)=O)C2)nn1 ZINC001418697480 926415582 /nfs/dbraw/zinc/41/55/82/926415582.db2.gz RPJKHHPGOOKPIK-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001418682310 926415598 /nfs/dbraw/zinc/41/55/98/926415598.db2.gz IXYGEYGZIOWNRH-WDEREUQCSA-N 1 1 307.416 -1.126 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001418691311 926416869 /nfs/dbraw/zinc/41/68/69/926416869.db2.gz PUIDNWTYSUDFSQ-ZYHUDNBSSA-N 1 1 311.386 -1.291 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418687242 926416976 /nfs/dbraw/zinc/41/69/76/926416976.db2.gz RQZDQEIVAPTOGJ-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001418739317 926417870 /nfs/dbraw/zinc/41/78/70/926417870.db2.gz ANGOKPZNJYZNEJ-RVMXOQNASA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001418734049 926418216 /nfs/dbraw/zinc/41/82/16/926418216.db2.gz QHYVRBBNDKIMHV-NWDGAFQWSA-N 1 1 308.338 -1.106 20 0 DAADMO CCO[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C[NH2+]CC(=O)NC ZINC001418747683 926418648 /nfs/dbraw/zinc/41/86/48/926418648.db2.gz PVEAYOHCRPQHGB-GHMZBOCLSA-N 1 1 324.385 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001418766666 926419911 /nfs/dbraw/zinc/41/99/11/926419911.db2.gz GAYWKAQVKAMVQA-RYUDHWBXSA-N 1 1 316.402 -1.419 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1CC ZINC001418753423 926420086 /nfs/dbraw/zinc/42/00/86/926420086.db2.gz CZGXCYNQDJKVLR-HBNTYKKESA-N 1 1 311.386 -1.227 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1CC ZINC001418753423 926420092 /nfs/dbraw/zinc/42/00/92/926420092.db2.gz CZGXCYNQDJKVLR-HBNTYKKESA-N 1 1 311.386 -1.227 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)CCNC(N)=O)C2CC2)C1=O ZINC001418796249 926421468 /nfs/dbraw/zinc/42/14/68/926421468.db2.gz GDNHFYSZKZLXDR-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)CCNC(N)=O)C2CC2)C1=O ZINC001418796249 926421475 /nfs/dbraw/zinc/42/14/75/926421475.db2.gz GDNHFYSZKZLXDR-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001418778710 926422071 /nfs/dbraw/zinc/42/20/71/926422071.db2.gz PQWMEWLZAQBZSB-MNOVXSKESA-N 1 1 321.385 -1.260 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001418783422 926422284 /nfs/dbraw/zinc/42/22/84/926422284.db2.gz AVQUSCASSYRSIG-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001418783422 926422293 /nfs/dbraw/zinc/42/22/93/926422293.db2.gz AVQUSCASSYRSIG-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001418796634 926422886 /nfs/dbraw/zinc/42/28/86/926422886.db2.gz KBTWMKKGSJGDTR-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001418796634 926422892 /nfs/dbraw/zinc/42/28/92/926422892.db2.gz KBTWMKKGSJGDTR-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001418788120 926423021 /nfs/dbraw/zinc/42/30/21/926423021.db2.gz YHBQVVISOPTLEL-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1CC(=O)NC(N)=O ZINC001418788120 926423026 /nfs/dbraw/zinc/42/30/26/926423026.db2.gz YHBQVVISOPTLEL-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001418811406 926424331 /nfs/dbraw/zinc/42/43/31/926424331.db2.gz TYNIWCSLZPLMTF-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C)c1nnnn1C ZINC001418821225 926424959 /nfs/dbraw/zinc/42/49/59/926424959.db2.gz CCTAKVZQEBSFQE-NXEZZACHSA-N 1 1 309.374 -1.060 20 0 DAADMO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)NC(N)=O ZINC001418851891 926426876 /nfs/dbraw/zinc/42/68/76/926426876.db2.gz ZXBGYANHPPGKHC-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001418850377 926427171 /nfs/dbraw/zinc/42/71/71/926427171.db2.gz PSVOYOGEZASTIG-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001418890929 926428088 /nfs/dbraw/zinc/42/80/88/926428088.db2.gz WDXFSZMOUYHCCE-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418890929 926428093 /nfs/dbraw/zinc/42/80/93/926428093.db2.gz WDXFSZMOUYHCCE-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO CCCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCO)C1 ZINC001418869849 926428117 /nfs/dbraw/zinc/42/81/17/926428117.db2.gz RRWICHRDQFETSR-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)c1=O ZINC001418895975 926428356 /nfs/dbraw/zinc/42/83/56/926428356.db2.gz MWDICFGDNWDEGD-GFCCVEGCSA-N 1 1 324.381 -1.633 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001418890923 926428847 /nfs/dbraw/zinc/42/88/47/926428847.db2.gz WDXFSZMOUYHCCE-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418890923 926428853 /nfs/dbraw/zinc/42/88/53/926428853.db2.gz WDXFSZMOUYHCCE-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001418899852 926431079 /nfs/dbraw/zinc/43/10/79/926431079.db2.gz HXQRWQFPJQODQD-MEWQQHAOSA-N 1 1 324.381 -1.098 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001418934088 926432043 /nfs/dbraw/zinc/43/20/43/926432043.db2.gz AMCTYEPAPACAFP-VXGBXAGGSA-N 1 1 321.385 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001418927755 926432341 /nfs/dbraw/zinc/43/23/41/926432341.db2.gz CXXKQXNKSRDGFY-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001418940842 926432459 /nfs/dbraw/zinc/43/24/59/926432459.db2.gz FSQZYRICIQLIQC-VIFPVBQESA-N 1 1 320.353 -1.545 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cn(-c2cccnc2)nn1 ZINC001418952659 926432709 /nfs/dbraw/zinc/43/27/09/926432709.db2.gz KVLSVLIRRHQPJR-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001418931870 926432800 /nfs/dbraw/zinc/43/28/00/926432800.db2.gz LMISCLSXUBNRQY-QMMMGPOBSA-N 1 1 310.314 -1.342 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001418927760 926433416 /nfs/dbraw/zinc/43/34/16/926433416.db2.gz IBCDNCUQUWMERO-VIFPVBQESA-N 1 1 324.345 -2.352 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001418933524 926433438 /nfs/dbraw/zinc/43/34/38/926433438.db2.gz IAKOUTIFRQIXPZ-LLVKDONJSA-N 1 1 307.416 -1.350 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001418936946 926433563 /nfs/dbraw/zinc/43/35/63/926433563.db2.gz KRWNWBFGKBYBTD-CYBMUJFWSA-N 1 1 312.414 -1.419 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001418958548 926434074 /nfs/dbraw/zinc/43/40/74/926434074.db2.gz KPISXUIGDKUHGE-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001418958548 926434080 /nfs/dbraw/zinc/43/40/80/926434080.db2.gz KPISXUIGDKUHGE-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001418965873 926434666 /nfs/dbraw/zinc/43/46/66/926434666.db2.gz JSWDLMMWBVOVBX-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001418965873 926434675 /nfs/dbraw/zinc/43/46/75/926434675.db2.gz JSWDLMMWBVOVBX-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO O=C(NCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001418954053 926434947 /nfs/dbraw/zinc/43/49/47/926434947.db2.gz JBJXSCGWOGZJRX-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001418954053 926434955 /nfs/dbraw/zinc/43/49/55/926434955.db2.gz JBJXSCGWOGZJRX-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001418977147 926437408 /nfs/dbraw/zinc/43/74/08/926437408.db2.gz DIZUNKRKPDIUEM-VIFPVBQESA-N 1 1 303.384 -1.513 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001419009660 926442048 /nfs/dbraw/zinc/44/20/48/926442048.db2.gz MASYNEYZVWEXCL-LBPRGKRZSA-N 1 1 308.382 -1.161 20 0 DAADMO COC(=O)NCC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001419009704 926442106 /nfs/dbraw/zinc/44/21/06/926442106.db2.gz MEQHOXXPENZDDQ-VIFPVBQESA-N 1 1 300.359 -1.133 20 0 DAADMO CCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001419020005 926443751 /nfs/dbraw/zinc/44/37/51/926443751.db2.gz KRMFYXTYKFPWDO-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)CN2CCOCC2)C1 ZINC001419018242 926444232 /nfs/dbraw/zinc/44/42/32/926444232.db2.gz ULYHGYJKSMUERL-LBPRGKRZSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001419026599 926445961 /nfs/dbraw/zinc/44/59/61/926445961.db2.gz RHKZGRORJLTOLE-VIFPVBQESA-N 1 1 321.403 -2.648 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001419026598 926445982 /nfs/dbraw/zinc/44/59/82/926445982.db2.gz RHKZGRORJLTOLE-SECBINFHSA-N 1 1 321.403 -2.648 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001419029582 926447121 /nfs/dbraw/zinc/44/71/21/926447121.db2.gz QRIFNAPYLKKMGM-JTQLQIEISA-N 1 1 311.386 -2.399 20 0 DAADMO CCNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001419045079 926447205 /nfs/dbraw/zinc/44/72/05/926447205.db2.gz KMLFGGLISSMKGZ-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001419045079 926447211 /nfs/dbraw/zinc/44/72/11/926447211.db2.gz KMLFGGLISSMKGZ-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419039455 926447303 /nfs/dbraw/zinc/44/73/03/926447303.db2.gz YTYBQFUGSNHJNF-MWLCHTKSSA-N 1 1 311.386 -1.431 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419029907 926447704 /nfs/dbraw/zinc/44/77/04/926447704.db2.gz PMNUJMCJFNVASY-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)N(C)C ZINC001419052632 926449131 /nfs/dbraw/zinc/44/91/31/926449131.db2.gz ZRWILAHRJQGDAP-VWYCJHECSA-N 1 1 320.415 -1.952 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419055214 926449208 /nfs/dbraw/zinc/44/92/08/926449208.db2.gz BWSZCXXYXXZNJN-SRVKXCTJSA-N 1 1 323.397 -1.321 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(=O)n(C)n1 ZINC001419055135 926449838 /nfs/dbraw/zinc/44/98/38/926449838.db2.gz AWNUZPIFUVTSKK-SRVKXCTJSA-N 1 1 322.365 -1.314 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001419049109 926450163 /nfs/dbraw/zinc/45/01/63/926450163.db2.gz LLRHDYKNJDCHQC-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001419051318 926450202 /nfs/dbraw/zinc/45/02/02/926450202.db2.gz WBDAMOLKPNIYDO-DCAQKATOSA-N 1 1 307.354 -1.035 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1N ZINC001419051318 926450209 /nfs/dbraw/zinc/45/02/09/926450209.db2.gz WBDAMOLKPNIYDO-DCAQKATOSA-N 1 1 307.354 -1.035 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001419061137 926451782 /nfs/dbraw/zinc/45/17/82/926451782.db2.gz NHOIRPXFRWUKKH-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001419061137 926451786 /nfs/dbraw/zinc/45/17/86/926451786.db2.gz NHOIRPXFRWUKKH-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419067480 926452002 /nfs/dbraw/zinc/45/20/02/926452002.db2.gz YEPILTFWSIQBBY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419067480 926452011 /nfs/dbraw/zinc/45/20/11/926452011.db2.gz YEPILTFWSIQBBY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001419085278 926453058 /nfs/dbraw/zinc/45/30/58/926453058.db2.gz QSQPFIGCALFUBC-DTWKUNHWSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001419085278 926453068 /nfs/dbraw/zinc/45/30/68/926453068.db2.gz QSQPFIGCALFUBC-DTWKUNHWSA-N 1 1 308.342 -1.274 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001419075651 926453126 /nfs/dbraw/zinc/45/31/26/926453126.db2.gz QCNISRDODZCKOS-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001419084488 926453267 /nfs/dbraw/zinc/45/32/67/926453267.db2.gz JWNJFQPFJNSMSD-WCQGTBRESA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)c2cn[nH]n2)CC1 ZINC001419077501 926454536 /nfs/dbraw/zinc/45/45/36/926454536.db2.gz FDIQOUDGYQLDIT-MRVPVSSYSA-N 1 1 323.357 -1.076 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001419099742 926455781 /nfs/dbraw/zinc/45/57/81/926455781.db2.gz ULXFXDYVBLZXIV-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001419099742 926455785 /nfs/dbraw/zinc/45/57/85/926455785.db2.gz ULXFXDYVBLZXIV-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1)C1CC1 ZINC001419098318 926456489 /nfs/dbraw/zinc/45/64/89/926456489.db2.gz XAYPEIZNUHBKCW-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1)C1CC1 ZINC001419098318 926456496 /nfs/dbraw/zinc/45/64/96/926456496.db2.gz XAYPEIZNUHBKCW-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001419099682 926456875 /nfs/dbraw/zinc/45/68/75/926456875.db2.gz RPVVZQDWPYJOQX-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)nnc2c1=O ZINC001419116016 926458015 /nfs/dbraw/zinc/45/80/15/926458015.db2.gz KBBYLVXJYMANOU-OTYXRUKQSA-N 1 1 320.353 -1.501 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)nnc2c1=O ZINC001419116016 926458020 /nfs/dbraw/zinc/45/80/20/926458020.db2.gz KBBYLVXJYMANOU-OTYXRUKQSA-N 1 1 320.353 -1.501 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001419121373 926458203 /nfs/dbraw/zinc/45/82/03/926458203.db2.gz JTLXMKSLDCBSIA-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001419134395 926460276 /nfs/dbraw/zinc/46/02/76/926460276.db2.gz ZNLKJOGXVMGGTC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001419134395 926460285 /nfs/dbraw/zinc/46/02/85/926460285.db2.gz ZNLKJOGXVMGGTC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001419166720 926461699 /nfs/dbraw/zinc/46/16/99/926461699.db2.gz ZOVCUWJFLIWTML-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001419166720 926461705 /nfs/dbraw/zinc/46/17/05/926461705.db2.gz ZOVCUWJFLIWTML-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001419174964 926464222 /nfs/dbraw/zinc/46/42/22/926464222.db2.gz GVUMGNSGKOBKNU-WDEREUQCSA-N 1 1 320.415 -1.733 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001419195817 926466004 /nfs/dbraw/zinc/46/60/04/926466004.db2.gz PVXCXOVTKPQEMV-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC[C@@H](CNC(=O)CNC(=O)NC)[NH2+]Cc1nnnn1C1CC1 ZINC001419201170 926466879 /nfs/dbraw/zinc/46/68/79/926466879.db2.gz PZJUDPFWFAKIGN-VIFPVBQESA-N 1 1 324.389 -1.079 20 0 DAADMO CC[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419218093 926468944 /nfs/dbraw/zinc/46/89/44/926468944.db2.gz OATHIUJFMSJJPN-IUCAKERBSA-N 1 1 318.403 -1.372 20 0 DAADMO CC[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001419252836 926469975 /nfs/dbraw/zinc/46/99/75/926469975.db2.gz JMABQZSZLODQSX-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CC[C@H](CNC(=O)CCNC(N)=O)[NH2+][C@H](C)c1nnnn1C ZINC001419277885 926470169 /nfs/dbraw/zinc/47/01/69/926470169.db2.gz NWOZHIRGOSATKT-RKDXNWHRSA-N 1 1 312.378 -1.186 20 0 DAADMO C[C@H]([NH2+][C@H](CNC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001419304018 926471743 /nfs/dbraw/zinc/47/17/43/926471743.db2.gz FXOXMTSOZGEUHF-WCBMZHEXSA-N 1 1 324.389 -1.186 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001419296511 926471929 /nfs/dbraw/zinc/47/19/29/926471929.db2.gz YZPILJOFFHVWOM-ZJUUUORDSA-N 1 1 307.358 -1.519 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001419359183 926473074 /nfs/dbraw/zinc/47/30/74/926473074.db2.gz RVIVDKYZXZZXCS-IUCAKERBSA-N 1 1 311.346 -1.182 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001419394681 926475232 /nfs/dbraw/zinc/47/52/32/926475232.db2.gz ZDMGMQNYASMSLX-MGCOHNPYSA-N 1 1 309.374 -1.129 20 0 DAADMO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001419387116 926475789 /nfs/dbraw/zinc/47/57/89/926475789.db2.gz CCXKFYYTILIQKN-BZNPZCIMSA-N 1 1 310.362 -1.435 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1nnn(C)n1 ZINC001419483382 926480233 /nfs/dbraw/zinc/48/02/33/926480233.db2.gz FWXOQSKUJMIMGR-WDEREUQCSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1nnn(C)n1 ZINC001419475586 926480534 /nfs/dbraw/zinc/48/05/34/926480534.db2.gz ZIUORTOYMJNPPF-BDAKNGLRSA-N 1 1 312.378 -1.501 20 0 DAADMO CN(CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001419538392 926483196 /nfs/dbraw/zinc/48/31/96/926483196.db2.gz NNORXRMVDFEJSE-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)CN2CCNC(=O)C2)o1 ZINC001419519839 926484263 /nfs/dbraw/zinc/48/42/63/926484263.db2.gz YRDMFKMQOUPYSJ-SNVBAGLBSA-N 1 1 324.385 -1.348 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001419546702 926485038 /nfs/dbraw/zinc/48/50/38/926485038.db2.gz ZXSJQXVRFGZHTB-MRVPVSSYSA-N 1 1 319.387 -1.231 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001419544173 926485846 /nfs/dbraw/zinc/48/58/46/926485846.db2.gz NQJYROFSGICKEB-LLVKDONJSA-N 1 1 324.385 -1.796 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001419544173 926485853 /nfs/dbraw/zinc/48/58/53/926485853.db2.gz NQJYROFSGICKEB-LLVKDONJSA-N 1 1 324.385 -1.796 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001419575178 926488601 /nfs/dbraw/zinc/48/86/01/926488601.db2.gz QSTQTFNPKMQUPX-LBPRGKRZSA-N 1 1 314.386 -2.382 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001419575178 926488605 /nfs/dbraw/zinc/48/86/05/926488605.db2.gz QSTQTFNPKMQUPX-LBPRGKRZSA-N 1 1 314.386 -2.382 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001419585456 926489081 /nfs/dbraw/zinc/48/90/81/926489081.db2.gz QEFWCMYTEGROAN-NWDGAFQWSA-N 1 1 314.386 -1.102 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC1 ZINC001419606923 926490336 /nfs/dbraw/zinc/49/03/36/926490336.db2.gz WQXATAJDTKAKKR-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC1 ZINC001419606923 926490348 /nfs/dbraw/zinc/49/03/48/926490348.db2.gz WQXATAJDTKAKKR-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001419604100 926490629 /nfs/dbraw/zinc/49/06/29/926490629.db2.gz SQGAPTCJOMSKCO-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001419604100 926490635 /nfs/dbraw/zinc/49/06/35/926490635.db2.gz SQGAPTCJOMSKCO-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCCC[N@H+]1CCCO ZINC001419611674 926491066 /nfs/dbraw/zinc/49/10/66/926491066.db2.gz ATTLXONPQDOASU-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)CCNC(N)=O ZINC001419624904 926491387 /nfs/dbraw/zinc/49/13/87/926491387.db2.gz LXJXMMUWJUXUHA-SNVBAGLBSA-N 1 1 324.389 -1.261 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001419680379 926494441 /nfs/dbraw/zinc/49/44/41/926494441.db2.gz MJVPYBWDFKQWET-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001419732916 926496152 /nfs/dbraw/zinc/49/61/52/926496152.db2.gz JQRSNIYQBUIHDS-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001419753279 926498100 /nfs/dbraw/zinc/49/81/00/926498100.db2.gz CAPQXWLWSZYNNW-VIFPVBQESA-N 1 1 312.374 -1.188 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001419753278 926498140 /nfs/dbraw/zinc/49/81/40/926498140.db2.gz CAPQXWLWSZYNNW-SECBINFHSA-N 1 1 312.374 -1.188 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1nnnn1C ZINC001419762828 926498218 /nfs/dbraw/zinc/49/82/18/926498218.db2.gz XVGUYNIIUQQASL-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419828598 926503992 /nfs/dbraw/zinc/50/39/92/926503992.db2.gz ZCGAESUWOWSBBF-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO C[N@@H+](CCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)CC(N)=O ZINC001419842000 926504292 /nfs/dbraw/zinc/50/42/92/926504292.db2.gz GQUHJWJFJMJJMW-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001419863067 926505777 /nfs/dbraw/zinc/50/57/77/926505777.db2.gz PRVLFCQZFFLWJJ-SCZZXKLOSA-N 1 1 323.357 -1.510 20 0 DAADMO Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 ZINC001419860403 926506104 /nfs/dbraw/zinc/50/61/04/926506104.db2.gz KTEADZWIKWVHPH-ZJUUUORDSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001419863599 926506123 /nfs/dbraw/zinc/50/61/23/926506123.db2.gz RSBQAPNLLDRLIO-APPZFPTMSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CC(=O)N1CCOCC1 ZINC001419861492 926507413 /nfs/dbraw/zinc/50/74/13/926507413.db2.gz OVXAPBRZYQUXPY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001419861492 926507420 /nfs/dbraw/zinc/50/74/20/926507420.db2.gz OVXAPBRZYQUXPY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC001419941728 926510153 /nfs/dbraw/zinc/51/01/53/926510153.db2.gz RHYOIURLQLEYNB-SSDOTTSWSA-N 1 1 321.428 -1.010 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001419953331 926510394 /nfs/dbraw/zinc/51/03/94/926510394.db2.gz PWVIAGNLZWYORO-UHFFFAOYSA-N 1 1 310.358 -1.202 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001419953331 926510405 /nfs/dbraw/zinc/51/04/05/926510405.db2.gz PWVIAGNLZWYORO-UHFFFAOYSA-N 1 1 310.358 -1.202 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419937168 926510595 /nfs/dbraw/zinc/51/05/95/926510595.db2.gz QUBOWURHAFVCRX-KOLCDFICSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCc2nncn2C1)[NH2+]Cc1nnnn1C ZINC001419933152 926510734 /nfs/dbraw/zinc/51/07/34/926510734.db2.gz UQQCFKUDGWCHBY-ZJUUUORDSA-N 1 1 319.373 -1.342 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC001419941734 926511226 /nfs/dbraw/zinc/51/12/26/926511226.db2.gz RHYOIURLQLEYNB-ZETCQYMHSA-N 1 1 321.428 -1.010 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419946505 926511548 /nfs/dbraw/zinc/51/15/48/926511548.db2.gz RRUNAQQCXNWCGS-VHSXEESVSA-N 1 1 309.374 -1.281 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001419968390 926512562 /nfs/dbraw/zinc/51/25/62/926512562.db2.gz WDHOMQZQWMGYQW-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001419968390 926512571 /nfs/dbraw/zinc/51/25/71/926512571.db2.gz WDHOMQZQWMGYQW-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001419973867 926513518 /nfs/dbraw/zinc/51/35/18/926513518.db2.gz LYXBTUWEZOPJLO-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001419973867 926513521 /nfs/dbraw/zinc/51/35/21/926513521.db2.gz LYXBTUWEZOPJLO-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001419966654 926513531 /nfs/dbraw/zinc/51/35/31/926513531.db2.gz PBSFSLNWDNQRCE-UHFFFAOYSA-N 1 1 324.385 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001419966654 926513533 /nfs/dbraw/zinc/51/35/33/926513533.db2.gz PBSFSLNWDNQRCE-UHFFFAOYSA-N 1 1 324.385 -1.192 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001419968394 926513899 /nfs/dbraw/zinc/51/38/99/926513899.db2.gz WDHOMQZQWMGYQW-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001419968394 926513909 /nfs/dbraw/zinc/51/39/09/926513909.db2.gz WDHOMQZQWMGYQW-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO Cc1ncc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n1C ZINC001420013720 926515544 /nfs/dbraw/zinc/51/55/44/926515544.db2.gz JNDVBTWQRPOQHK-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1ncc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n1C ZINC001420013720 926515553 /nfs/dbraw/zinc/51/55/53/926515553.db2.gz JNDVBTWQRPOQHK-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419993193 926515582 /nfs/dbraw/zinc/51/55/82/926515582.db2.gz ABKZDUFNAJLMOL-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419993193 926515588 /nfs/dbraw/zinc/51/55/88/926515588.db2.gz ABKZDUFNAJLMOL-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1ccn(C)n1 ZINC001420051083 926517568 /nfs/dbraw/zinc/51/75/68/926517568.db2.gz PVKLUEQISJWURB-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1ccn(C)n1 ZINC001420051083 926517573 /nfs/dbraw/zinc/51/75/73/926517573.db2.gz PVKLUEQISJWURB-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001420063544 926518643 /nfs/dbraw/zinc/51/86/43/926518643.db2.gz TZHWBHLCHFAFFR-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001420063544 926518646 /nfs/dbraw/zinc/51/86/46/926518646.db2.gz TZHWBHLCHFAFFR-JTQLQIEISA-N 1 1 311.386 -1.138 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001420075891 926518866 /nfs/dbraw/zinc/51/88/66/926518866.db2.gz XXLPXGIDNPNGCT-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cn1ccccc1=O ZINC001420055332 926519676 /nfs/dbraw/zinc/51/96/76/926519676.db2.gz METPBSKMOAYTAQ-UHFFFAOYSA-N 1 1 323.353 -1.567 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cn1ccccc1=O ZINC001420055332 926519682 /nfs/dbraw/zinc/51/96/82/926519682.db2.gz METPBSKMOAYTAQ-UHFFFAOYSA-N 1 1 323.353 -1.567 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(Cl)n1C ZINC001420082238 926519792 /nfs/dbraw/zinc/51/97/92/926519792.db2.gz PDAKTUACGKYECA-VIFPVBQESA-N 1 1 317.777 -1.224 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cnccn1 ZINC001420091525 926520328 /nfs/dbraw/zinc/52/03/28/926520328.db2.gz PKVWTRSTNQUQFC-JTQLQIEISA-N 1 1 318.341 -1.322 20 0 DAADMO CC[C@@H](SC)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420098586 926523661 /nfs/dbraw/zinc/52/36/61/926523661.db2.gz GHURNYNPGKMTQT-DTWKUNHWSA-N 1 1 302.404 -1.082 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001420108981 926524394 /nfs/dbraw/zinc/52/43/94/926524394.db2.gz KPKKAOFXCGMEHK-QWRGUYRKSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nncn2C)nnn1C ZINC001420105245 926524794 /nfs/dbraw/zinc/52/47/94/926524794.db2.gz IAHMCLUQWVZECV-WPRPVWTQSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001420101353 926524912 /nfs/dbraw/zinc/52/49/12/926524912.db2.gz DIPIFLWGPZEENM-MWLCHTKSSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)s1 ZINC001420101791 926525481 /nfs/dbraw/zinc/52/54/81/926525481.db2.gz HXLHAKMZUOQYRV-NXEZZACHSA-N 1 1 316.383 -1.171 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1)c1nncn1C ZINC001420106906 926525735 /nfs/dbraw/zinc/52/57/35/926525735.db2.gz LTJBNZCTJYWXIJ-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001420109641 926526745 /nfs/dbraw/zinc/52/67/45/926526745.db2.gz MAKJHKUZMPIGDE-ZJUUUORDSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001420109599 926526927 /nfs/dbraw/zinc/52/69/27/926526927.db2.gz MAKJHKUZMPIGDE-NXEZZACHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)ncn1 ZINC001420117033 926528548 /nfs/dbraw/zinc/52/85/48/926528548.db2.gz VCELXJUNAUDPMW-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001420118193 926528721 /nfs/dbraw/zinc/52/87/21/926528721.db2.gz PPFFSWATLUHUPD-QMMMGPOBSA-N 1 1 308.346 -1.989 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001420115202 926528932 /nfs/dbraw/zinc/52/89/32/926528932.db2.gz MUHGPTWJNCMAQT-WDEREUQCSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001420115564 926529083 /nfs/dbraw/zinc/52/90/83/926529083.db2.gz QUCWXJGQEBVKNT-ZJUUUORDSA-N 1 1 309.326 -1.540 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cn[nH]c1 ZINC001420116763 926529560 /nfs/dbraw/zinc/52/95/60/926529560.db2.gz RYBGEVPWDSHWAZ-SNVBAGLBSA-N 1 1 311.321 -1.149 20 0 DAADMO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001420119190 926529598 /nfs/dbraw/zinc/52/95/98/926529598.db2.gz ZWBKNLPFFBVGDM-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001420127334 926533596 /nfs/dbraw/zinc/53/35/96/926533596.db2.gz UKGYFOWGYMMLAZ-CMPLNLGQSA-N 1 1 312.374 -1.408 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001420132897 926535693 /nfs/dbraw/zinc/53/56/93/926535693.db2.gz YFHUAZROQBWFCH-WDEREUQCSA-N 1 1 314.342 -1.250 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nn1 ZINC001420133790 926536266 /nfs/dbraw/zinc/53/62/66/926536266.db2.gz KCFXCKQRJDZISM-NWDGAFQWSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2ccncn2)n1 ZINC001420133443 926536374 /nfs/dbraw/zinc/53/63/74/926536374.db2.gz AIGVUZCTRNGOOU-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420142580 926539385 /nfs/dbraw/zinc/53/93/85/926539385.db2.gz FHYRTXHFGBQJDO-NEPJUHHUSA-N 1 1 310.402 -1.134 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001420141080 926539494 /nfs/dbraw/zinc/53/94/94/926539494.db2.gz FXNKFWQIBKLRJW-SNVBAGLBSA-N 1 1 323.357 -1.382 20 0 DAADMO CCOc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)[nH]n1 ZINC001420140773 926540029 /nfs/dbraw/zinc/54/00/29/926540029.db2.gz CPGDJVUPFBXHLJ-SECBINFHSA-N 1 1 323.357 -1.183 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)nn1 ZINC001420143360 926541000 /nfs/dbraw/zinc/54/10/00/926541000.db2.gz JSPYJFLKKAEVDF-SECBINFHSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001420148610 926541707 /nfs/dbraw/zinc/54/17/07/926541707.db2.gz CSQMCFDGQDEHLV-LDYMZIIASA-N 1 1 302.310 -2.095 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)co1 ZINC001420146901 926542969 /nfs/dbraw/zinc/54/29/69/926542969.db2.gz AJRDKSBBYHWMPE-JTQLQIEISA-N 1 1 307.310 -1.053 20 0 DAADMO CN1CC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)=NC1=O ZINC001420151436 926544264 /nfs/dbraw/zinc/54/42/64/926544264.db2.gz WTQSHQFYLYMKCF-SECBINFHSA-N 1 1 311.342 -1.962 20 0 DAADMO Cc1cncc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001420153928 926544349 /nfs/dbraw/zinc/54/43/49/926544349.db2.gz IFGZDLIVQHKHLH-GFCCVEGCSA-N 1 1 319.369 -1.277 20 0 DAADMO Cc1cncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001420153948 926545306 /nfs/dbraw/zinc/54/53/06/926545306.db2.gz IFGZDLIVQHKHLH-LBPRGKRZSA-N 1 1 319.369 -1.277 20 0 DAADMO CO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)C1CCC1 ZINC001420155812 926545513 /nfs/dbraw/zinc/54/55/13/926545513.db2.gz LQUXWCVAUVKGBY-PWSUYJOCSA-N 1 1 312.374 -1.408 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001420161103 926546140 /nfs/dbraw/zinc/54/61/40/926546140.db2.gz SPXNGMQFAKIEQX-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001420159574 926546378 /nfs/dbraw/zinc/54/63/78/926546378.db2.gz VKBHCQLDYYGJOG-VHSXEESVSA-N 1 1 311.346 -2.454 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001420155883 926546463 /nfs/dbraw/zinc/54/64/63/926546463.db2.gz ODYNYYHWQHBKKP-ZYHUDNBSSA-N 1 1 301.322 -1.490 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001420159563 926546486 /nfs/dbraw/zinc/54/64/86/926546486.db2.gz VKBHCQLDYYGJOG-NXEZZACHSA-N 1 1 311.346 -2.454 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2[nH]nnc2C)n1 ZINC001420156445 926546794 /nfs/dbraw/zinc/54/67/94/926546794.db2.gz ICHNBRRMNSTKTI-SNVBAGLBSA-N 1 1 308.346 -1.395 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1coc(C2CC2)n1)[C@@H]1CNC(=O)N1 ZINC001420157874 926547124 /nfs/dbraw/zinc/54/71/24/926547124.db2.gz RVNFJJFRORFJFH-QWRGUYRKSA-N 1 1 323.353 -1.200 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001420157190 926547203 /nfs/dbraw/zinc/54/72/03/926547203.db2.gz LKUOQTNLPUVPJB-MWLCHTKSSA-N 1 1 311.342 -1.305 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001420163406 926548252 /nfs/dbraw/zinc/54/82/52/926548252.db2.gz WMBWNDJZWVIBRD-ZJUUUORDSA-N 1 1 310.358 -1.506 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)N1CCCCCC1 ZINC001420163243 926548769 /nfs/dbraw/zinc/54/87/69/926548769.db2.gz VKFBIIDVYWKJBN-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CCC(=O)NC1 ZINC001420162818 926549411 /nfs/dbraw/zinc/54/94/11/926549411.db2.gz KOZOQOBESSDLPN-GXFFZTMASA-N 1 1 311.342 -1.447 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420174790 926550851 /nfs/dbraw/zinc/55/08/51/926550851.db2.gz SUHYKMPDHQBATD-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001420172860 926550934 /nfs/dbraw/zinc/55/09/34/926550934.db2.gz KPCUIYOPOAPNJN-GDPRMGEGSA-N 1 1 310.354 -1.075 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001420174792 926551544 /nfs/dbraw/zinc/55/15/44/926551544.db2.gz SUHYKMPDHQBATD-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1cnc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)cn1 ZINC001420174446 926551802 /nfs/dbraw/zinc/55/18/02/926551802.db2.gz QGFSENZLDKNAHO-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO Cc1cnc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)cn1 ZINC001420174446 926551810 /nfs/dbraw/zinc/55/18/10/926551810.db2.gz QGFSENZLDKNAHO-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cscn2)NC1=O ZINC001420167609 926551900 /nfs/dbraw/zinc/55/19/00/926551900.db2.gz WACPTUOFXFRTFT-ZJUUUORDSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1)c1nncn1C ZINC001420181133 926554096 /nfs/dbraw/zinc/55/40/96/926554096.db2.gz CDHNSEWAXIXZJV-VHSXEESVSA-N 1 1 307.358 -1.091 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001420181725 926556414 /nfs/dbraw/zinc/55/64/14/926556414.db2.gz DGTCVZQOQPLOCH-IONNQARKSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001420185903 926556833 /nfs/dbraw/zinc/55/68/33/926556833.db2.gz BABNLKURYDSEJA-SNVBAGLBSA-N 1 1 321.341 -2.361 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2nc[nH]n2)s1 ZINC001420192540 926557452 /nfs/dbraw/zinc/55/74/52/926557452.db2.gz MDTLXNWPSLGGPS-QMMMGPOBSA-N 1 1 311.371 -1.226 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)NC1CCCCC1 ZINC001420191932 926558884 /nfs/dbraw/zinc/55/88/84/926558884.db2.gz HKJIRABXVKIQGC-LLVKDONJSA-N 1 1 324.385 -1.066 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)NC1CCCCC1 ZINC001420191932 926558893 /nfs/dbraw/zinc/55/88/93/926558893.db2.gz HKJIRABXVKIQGC-LLVKDONJSA-N 1 1 324.385 -1.066 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001420195654 926560512 /nfs/dbraw/zinc/56/05/12/926560512.db2.gz PLKMYRDMRWIGQI-VIFPVBQESA-N 1 1 324.341 -1.170 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccncn2)nn1 ZINC001420195200 926561067 /nfs/dbraw/zinc/56/10/67/926561067.db2.gz LTDUZUDBABPTAY-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1)c1nncn1C ZINC001420200189 926562374 /nfs/dbraw/zinc/56/23/74/926562374.db2.gz VVFBZRREPBSNDS-DTWKUNHWSA-N 1 1 308.346 -1.696 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001420199414 926563142 /nfs/dbraw/zinc/56/31/42/926563142.db2.gz VENMDECOIJEXJW-QWRGUYRKSA-N 1 1 324.385 -1.670 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1)c1nncn1C ZINC001420200197 926563781 /nfs/dbraw/zinc/56/37/81/926563781.db2.gz VVFBZRREPBSNDS-RKDXNWHRSA-N 1 1 308.346 -1.696 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001420204131 926566372 /nfs/dbraw/zinc/56/63/72/926566372.db2.gz YTBYIYKGMMLFBT-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420212820 926568070 /nfs/dbraw/zinc/56/80/70/926568070.db2.gz MJACDAWFWSASAN-QWHCGFSZSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420212818 926568244 /nfs/dbraw/zinc/56/82/44/926568244.db2.gz MJACDAWFWSASAN-CHWSQXEVSA-N 1 1 324.385 -1.607 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)c1cnn(C)c1 ZINC001420221177 926568358 /nfs/dbraw/zinc/56/83/58/926568358.db2.gz GKLGQFFRTUGDPU-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420240726 926569894 /nfs/dbraw/zinc/56/98/94/926569894.db2.gz OCYJVFFCIUXVMP-ZJUUUORDSA-N 1 1 324.389 -1.267 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CCNC(=O)NC(C)C ZINC001420237086 926569926 /nfs/dbraw/zinc/56/99/26/926569926.db2.gz KEPLJHGIXMZNMN-UHFFFAOYSA-N 1 1 316.406 -1.329 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001420232006 926570337 /nfs/dbraw/zinc/57/03/37/926570337.db2.gz FPZUKNJHMCWTMF-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001420232006 926570345 /nfs/dbraw/zinc/57/03/45/926570345.db2.gz FPZUKNJHMCWTMF-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001420243022 926570489 /nfs/dbraw/zinc/57/04/89/926570489.db2.gz XUISETAHBQVNIO-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001420243022 926570495 /nfs/dbraw/zinc/57/04/95/926570495.db2.gz XUISETAHBQVNIO-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO Cc1ncc(C[N@@H+](C)CCNC(=O)Cn2ncn(C)c2=O)cn1 ZINC001420256525 926572598 /nfs/dbraw/zinc/57/25/98/926572598.db2.gz SGTSMLICEMCMMK-UHFFFAOYSA-N 1 1 319.369 -1.072 20 0 DAADMO Cc1ncc(C[N@H+](C)CCNC(=O)Cn2ncn(C)c2=O)cn1 ZINC001420256525 926572617 /nfs/dbraw/zinc/57/26/17/926572617.db2.gz SGTSMLICEMCMMK-UHFFFAOYSA-N 1 1 319.369 -1.072 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001420284264 926574519 /nfs/dbraw/zinc/57/45/19/926574519.db2.gz MHTZJLHVELGXHH-VIFPVBQESA-N 1 1 315.374 -1.608 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001420284264 926574524 /nfs/dbraw/zinc/57/45/24/926574524.db2.gz MHTZJLHVELGXHH-VIFPVBQESA-N 1 1 315.374 -1.608 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC001420269760 926575166 /nfs/dbraw/zinc/57/51/66/926575166.db2.gz HEXVOHGMFVSRPA-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)NC1=O ZINC001420284202 926575411 /nfs/dbraw/zinc/57/54/11/926575411.db2.gz LLDOBYOFHQZXKA-NWDGAFQWSA-N 1 1 324.385 -1.684 20 0 DAADMO CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420274734 926575962 /nfs/dbraw/zinc/57/59/62/926575962.db2.gz VMDGXFWHQDAMLY-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420274734 926575974 /nfs/dbraw/zinc/57/59/74/926575974.db2.gz VMDGXFWHQDAMLY-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001420275095 926576043 /nfs/dbraw/zinc/57/60/43/926576043.db2.gz WQKQKICVBJLVDY-RKDXNWHRSA-N 1 1 312.378 -1.316 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420304195 926576725 /nfs/dbraw/zinc/57/67/25/926576725.db2.gz BEABVKJOFKOZSV-BDAKNGLRSA-N 1 1 302.331 -2.360 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)Cn1ncnn1 ZINC001420295300 926577015 /nfs/dbraw/zinc/57/70/15/926577015.db2.gz RYESUKZZGGIQRD-SNVBAGLBSA-N 1 1 319.373 -1.031 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)Cc1nnn(C)n1 ZINC001420304212 926577146 /nfs/dbraw/zinc/57/71/46/926577146.db2.gz AEZOJCKDYWKUJK-UHFFFAOYSA-N 1 1 311.390 -1.520 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)C2CS(=O)(=O)C2)nn1 ZINC001420289244 926577619 /nfs/dbraw/zinc/57/76/19/926577619.db2.gz GQXZJHLCNBSPGQ-SECBINFHSA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)CN1CCOCC1=O ZINC001420298149 926577817 /nfs/dbraw/zinc/57/78/17/926577817.db2.gz HLGQANINYOZJRY-LLVKDONJSA-N 1 1 307.354 -1.070 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001420295859 926578361 /nfs/dbraw/zinc/57/83/61/926578361.db2.gz FOHOGBOSILVQGF-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CCn1ncn(C)c1=O ZINC001420325049 926579522 /nfs/dbraw/zinc/57/95/22/926579522.db2.gz AAHMUESSPCVPIW-SECBINFHSA-N 1 1 309.330 -1.351 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001420326215 926580698 /nfs/dbraw/zinc/58/06/98/926580698.db2.gz MQJAYNXHIDTOLJ-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001420323868 926581061 /nfs/dbraw/zinc/58/10/61/926581061.db2.gz YMVMESWNGHYVRS-MNOVXSKESA-N 1 1 323.401 -1.598 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001420310206 926581220 /nfs/dbraw/zinc/58/12/20/926581220.db2.gz WKDDVGROLWKQRX-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001420310206 926581223 /nfs/dbraw/zinc/58/12/23/926581223.db2.gz WKDDVGROLWKQRX-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1ncn[nH]1 ZINC001420350036 926582230 /nfs/dbraw/zinc/58/22/30/926582230.db2.gz RLCYEWYGLCTOHQ-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1nc[nH]n1 ZINC001420350036 926582238 /nfs/dbraw/zinc/58/22/38/926582238.db2.gz RLCYEWYGLCTOHQ-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001420342111 926582729 /nfs/dbraw/zinc/58/27/29/926582729.db2.gz QQHNDFRJMXCTSX-MRVPVSSYSA-N 1 1 322.325 -1.625 20 0 DAADMO Cn1nc2c(c1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CCC2 ZINC001420330106 926583308 /nfs/dbraw/zinc/58/33/08/926583308.db2.gz NJXPQPANZFCIAZ-UHFFFAOYSA-N 1 1 322.369 -1.235 20 0 DAADMO Cn1nc2c(c1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CCC2 ZINC001420330106 926583314 /nfs/dbraw/zinc/58/33/14/926583314.db2.gz NJXPQPANZFCIAZ-UHFFFAOYSA-N 1 1 322.369 -1.235 20 0 DAADMO CCn1nc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)ccc1=O ZINC001420351554 926584821 /nfs/dbraw/zinc/58/48/21/926584821.db2.gz YXEOZKJORPNVJD-SECBINFHSA-N 1 1 320.357 -1.305 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001420362476 926585494 /nfs/dbraw/zinc/58/54/94/926585494.db2.gz DHMBHKHKJGWINY-UHFFFAOYSA-N 1 1 311.346 -2.009 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001420362476 926585501 /nfs/dbraw/zinc/58/55/01/926585501.db2.gz DHMBHKHKJGWINY-UHFFFAOYSA-N 1 1 311.346 -2.009 20 0 DAADMO C[N@H+](CCNC(=O)c1cc(C(N)=O)ccn1)[C@H]1CCNC1=O ZINC001420364312 926586039 /nfs/dbraw/zinc/58/60/39/926586039.db2.gz LUZSZSFARNVBES-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc(C(N)=O)ccn1)[C@H]1CCNC1=O ZINC001420364312 926586044 /nfs/dbraw/zinc/58/60/44/926586044.db2.gz LUZSZSFARNVBES-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)nc1)[C@H]1CCNC1=O ZINC001420360449 926586125 /nfs/dbraw/zinc/58/61/25/926586125.db2.gz YLZKJDZFIBQZFT-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)nc1)[C@H]1CCNC1=O ZINC001420360449 926586131 /nfs/dbraw/zinc/58/61/31/926586131.db2.gz YLZKJDZFIBQZFT-NSHDSACASA-N 1 1 305.338 -1.269 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001420377087 926586528 /nfs/dbraw/zinc/58/65/28/926586528.db2.gz NVGGIQPERMQJHE-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCCC1 ZINC001420387121 926587578 /nfs/dbraw/zinc/58/75/78/926587578.db2.gz MVTSWSRZNRXAPZ-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N1CCCC1 ZINC001420387121 926587588 /nfs/dbraw/zinc/58/75/88/926587588.db2.gz MVTSWSRZNRXAPZ-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001420380148 926587908 /nfs/dbraw/zinc/58/79/08/926587908.db2.gz CCXQVUSQRQZILZ-FRRDWIJNSA-N 1 1 313.398 -1.211 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001420420364 926589752 /nfs/dbraw/zinc/58/97/52/926589752.db2.gz AYXPEFIBHUGIHY-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H](C)OC ZINC001420414861 926589855 /nfs/dbraw/zinc/58/98/55/926589855.db2.gz MFKBCSLQWKLPRW-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1C)CC(=O)NC(N)=O ZINC001420414096 926590127 /nfs/dbraw/zinc/59/01/27/926590127.db2.gz PXMNWYPZWJCNKF-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1C)CC(=O)NC(N)=O ZINC001420414096 926590136 /nfs/dbraw/zinc/59/01/36/926590136.db2.gz PXMNWYPZWJCNKF-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H]1CCCNC1=O ZINC001420403015 926590553 /nfs/dbraw/zinc/59/05/53/926590553.db2.gz KFBHSQUBJGSMMQ-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001420424782 926591391 /nfs/dbraw/zinc/59/13/91/926591391.db2.gz IKUIXWXDHDBXIJ-VXGBXAGGSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)Cc1nnc[nH]1 ZINC001420437767 926591847 /nfs/dbraw/zinc/59/18/47/926591847.db2.gz PEUXNNQUOWFHOR-MNOVXSKESA-N 1 1 324.385 -1.263 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420443160 926592020 /nfs/dbraw/zinc/59/20/20/926592020.db2.gz DSXRHSQBQAAVPX-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(=O)NC ZINC001420443160 926592027 /nfs/dbraw/zinc/59/20/27/926592027.db2.gz DSXRHSQBQAAVPX-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1cnn[nH]1 ZINC001420445544 926592062 /nfs/dbraw/zinc/59/20/62/926592062.db2.gz RYPQNXZHQJKIQF-DTWKUNHWSA-N 1 1 301.372 -1.053 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C[C@H](C)O ZINC001420427244 926592348 /nfs/dbraw/zinc/59/23/48/926592348.db2.gz OQFGUVMSIUPQDU-JTQLQIEISA-N 1 1 312.370 -1.484 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCNS(C)(=O)=O ZINC001420427486 926592630 /nfs/dbraw/zinc/59/26/30/926592630.db2.gz RKBRVKYMGWEEDC-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCNS(C)(=O)=O ZINC001420427486 926592636 /nfs/dbraw/zinc/59/26/36/926592636.db2.gz RKBRVKYMGWEEDC-SECBINFHSA-N 1 1 321.403 -2.345 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001420424748 926592809 /nfs/dbraw/zinc/59/28/09/926592809.db2.gz IKUIXWXDHDBXIJ-NEPJUHHUSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1ccc(=O)n(C)c1 ZINC001420446752 926593110 /nfs/dbraw/zinc/59/31/10/926593110.db2.gz XRLPWFJUWZPWPN-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)[C@H](C)C(N)=O ZINC001420429685 926593141 /nfs/dbraw/zinc/59/31/41/926593141.db2.gz YBDRLBZFUHUKIL-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCc2nnnn2CC1)[C@H](C)C(N)=O ZINC001420429685 926593146 /nfs/dbraw/zinc/59/31/46/926593146.db2.gz YBDRLBZFUHUKIL-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)CC(=O)NC ZINC001420452289 926593836 /nfs/dbraw/zinc/59/38/36/926593836.db2.gz AZNJOZBGHXRNJN-UHFFFAOYSA-N 1 1 312.374 -1.926 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)CC(=O)NC ZINC001420452289 926593843 /nfs/dbraw/zinc/59/38/43/926593843.db2.gz AZNJOZBGHXRNJN-UHFFFAOYSA-N 1 1 312.374 -1.926 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C)c1nnnn1C ZINC001420460972 926594123 /nfs/dbraw/zinc/59/41/23/926594123.db2.gz SRWCXSVLNXPPMV-AEJSXWLSSA-N 1 1 309.374 -1.014 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001420482247 926594297 /nfs/dbraw/zinc/59/42/97/926594297.db2.gz IFEBUZVUHMVOQS-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001420482247 926594305 /nfs/dbraw/zinc/59/43/05/926594305.db2.gz IFEBUZVUHMVOQS-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420478485 926594867 /nfs/dbraw/zinc/59/48/67/926594867.db2.gz BJDTWZUEPVINDI-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCN(C)C1=O ZINC001420479892 926594921 /nfs/dbraw/zinc/59/49/21/926594921.db2.gz FBTMRYRVKMFOLO-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420457005 926595263 /nfs/dbraw/zinc/59/52/63/926595263.db2.gz KEEUHOKBKYVPOR-UWVGGRQHSA-N 1 1 321.385 -1.110 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001420493835 926596322 /nfs/dbraw/zinc/59/63/22/926596322.db2.gz MQLFXLDVBDGRJC-JTQLQIEISA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001420493835 926596331 /nfs/dbraw/zinc/59/63/31/926596331.db2.gz MQLFXLDVBDGRJC-JTQLQIEISA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cc(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001420511727 926597599 /nfs/dbraw/zinc/59/75/99/926597599.db2.gz DICLEWACBDKKKA-SNVBAGLBSA-N 1 1 322.369 -1.404 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001420534675 926598675 /nfs/dbraw/zinc/59/86/75/926598675.db2.gz FPWHUDOQVRXFRR-SNVBAGLBSA-N 1 1 321.385 -1.212 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@@H+](CCO)C2)c1=O ZINC001420531675 926598963 /nfs/dbraw/zinc/59/89/63/926598963.db2.gz OZUDOCLNWYJPNC-NSHDSACASA-N 1 1 310.354 -2.023 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001420535414 926599112 /nfs/dbraw/zinc/59/91/12/926599112.db2.gz DNLKHNROMPYRRR-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001420514374 926599177 /nfs/dbraw/zinc/59/91/77/926599177.db2.gz UWAJHMXIRNWSSO-IONNQARKSA-N 1 1 316.387 -1.601 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001420529089 926599379 /nfs/dbraw/zinc/59/93/79/926599379.db2.gz FBUVZODYTMXYHA-JTQLQIEISA-N 1 1 310.354 -1.034 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001420535432 926599912 /nfs/dbraw/zinc/59/99/12/926599912.db2.gz DNLKHNROMPYRRR-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001420535505 926599960 /nfs/dbraw/zinc/59/99/60/926599960.db2.gz UOQYDVCJSBCVTP-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001420515410 926600217 /nfs/dbraw/zinc/60/02/17/926600217.db2.gz IUQBCKWFCKTTBO-SECBINFHSA-N 1 1 308.342 -1.333 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001420514369 926600253 /nfs/dbraw/zinc/60/02/53/926600253.db2.gz UWAJHMXIRNWSSO-CBAPKCEASA-N 1 1 316.387 -1.601 20 0 DAADMO C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420572362 926600977 /nfs/dbraw/zinc/60/09/77/926600977.db2.gz RRAMXCZQRIDDBE-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001420561019 926601078 /nfs/dbraw/zinc/60/10/78/926601078.db2.gz UYNLZAQTXFNPNZ-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420553759 926601137 /nfs/dbraw/zinc/60/11/37/926601137.db2.gz FTEAOUGYEJOKGM-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420553759 926601143 /nfs/dbraw/zinc/60/11/43/926601143.db2.gz FTEAOUGYEJOKGM-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001420538733 926601421 /nfs/dbraw/zinc/60/14/21/926601421.db2.gz KUDYUGLILMJHBY-VIFPVBQESA-N 1 1 317.371 -1.330 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001420555200 926601452 /nfs/dbraw/zinc/60/14/52/926601452.db2.gz XECRRDWUGVEAIT-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420543008 926601816 /nfs/dbraw/zinc/60/18/16/926601816.db2.gz PFFINHHESZVAGJ-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420543008 926601821 /nfs/dbraw/zinc/60/18/21/926601821.db2.gz PFFINHHESZVAGJ-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001420554941 926602240 /nfs/dbraw/zinc/60/22/40/926602240.db2.gz WOZPGKGSJIOBSJ-NWDGAFQWSA-N 1 1 321.381 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001420551397 926602376 /nfs/dbraw/zinc/60/23/76/926602376.db2.gz FXNUGFGIXNVDHU-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001420551397 926602379 /nfs/dbraw/zinc/60/23/79/926602379.db2.gz FXNUGFGIXNVDHU-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCC[N@H+](CCNC(=O)COC)CC(=O)N1CCNC(=O)C1 ZINC001420571683 926602427 /nfs/dbraw/zinc/60/24/27/926602427.db2.gz JTFFPEMDSRZIQF-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCC[N@@H+](CCNC(=O)COC)CC(=O)N1CCNC(=O)C1 ZINC001420571683 926602433 /nfs/dbraw/zinc/60/24/33/926602433.db2.gz JTFFPEMDSRZIQF-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1ncnn1)Cc1cnnn1C ZINC001420590045 926603377 /nfs/dbraw/zinc/60/33/77/926603377.db2.gz DOGDRKFIRNMMNN-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)Cc1cnnn1C ZINC001420590045 926603383 /nfs/dbraw/zinc/60/33/83/926603383.db2.gz DOGDRKFIRNMMNN-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCOC1 ZINC001420623311 926603569 /nfs/dbraw/zinc/60/35/69/926603569.db2.gz WAJSSWDGALEZPD-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)CN1CCCS1(=O)=O ZINC001420592601 926603918 /nfs/dbraw/zinc/60/39/18/926603918.db2.gz QSOAOMKDKVNMEI-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cnon1)CC(=O)NC(=O)NC ZINC001420605056 926603984 /nfs/dbraw/zinc/60/39/84/926603984.db2.gz AVPIYIFEIMCCLB-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cnon1)CC(=O)NC(=O)NC ZINC001420605056 926603992 /nfs/dbraw/zinc/60/39/92/926603992.db2.gz AVPIYIFEIMCCLB-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)c1nnn(C)n1 ZINC001420618917 926604215 /nfs/dbraw/zinc/60/42/15/926604215.db2.gz FPCPFIHJRWLHMW-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCNC1=O ZINC001420591413 926604332 /nfs/dbraw/zinc/60/43/32/926604332.db2.gz DPWYHLBZVSOHOY-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420577601 926604429 /nfs/dbraw/zinc/60/44/29/926604429.db2.gz AZRRTYQGLRDWAB-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420577601 926604431 /nfs/dbraw/zinc/60/44/31/926604431.db2.gz AZRRTYQGLRDWAB-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420612608 926604553 /nfs/dbraw/zinc/60/45/53/926604553.db2.gz CQANHBMWGXUWSU-SFYZADRCSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420612608 926604556 /nfs/dbraw/zinc/60/45/56/926604556.db2.gz CQANHBMWGXUWSU-SFYZADRCSA-N 1 1 314.346 -2.440 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420577599 926604562 /nfs/dbraw/zinc/60/45/62/926604562.db2.gz AZRRTYQGLRDWAB-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420577599 926604566 /nfs/dbraw/zinc/60/45/66/926604566.db2.gz AZRRTYQGLRDWAB-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623855 926606091 /nfs/dbraw/zinc/60/60/91/926606091.db2.gz XCMPSICOLBTVCG-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCS(N)(=O)=O ZINC001420623855 926606095 /nfs/dbraw/zinc/60/60/95/926606095.db2.gz XCMPSICOLBTVCG-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO C[C@@H](CC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O)NC(N)=O ZINC001420640477 926606114 /nfs/dbraw/zinc/60/61/14/926606114.db2.gz BNBOVXAZARGYGD-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)NC(N)=O ZINC001420640477 926606119 /nfs/dbraw/zinc/60/61/19/926606119.db2.gz BNBOVXAZARGYGD-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420633012 926606181 /nfs/dbraw/zinc/60/61/81/926606181.db2.gz ACUARKOXXMRQJG-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001420623313 926606263 /nfs/dbraw/zinc/60/62/63/926606263.db2.gz WAJSSWDGALEZPD-MNOVXSKESA-N 1 1 322.431 -1.487 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)COCc1nncn1C ZINC001420648522 926606514 /nfs/dbraw/zinc/60/65/14/926606514.db2.gz TVVZOOUEQFKOMM-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)COCc1nncn1C ZINC001420648522 926606520 /nfs/dbraw/zinc/60/65/20/926606520.db2.gz TVVZOOUEQFKOMM-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001420651906 926606846 /nfs/dbraw/zinc/60/68/46/926606846.db2.gz ALXANCOWARBKHW-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001420628294 926606913 /nfs/dbraw/zinc/60/69/13/926606913.db2.gz UEDHHKMKINWURU-DTWKUNHWSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001420628294 926606915 /nfs/dbraw/zinc/60/69/15/926606915.db2.gz UEDHHKMKINWURU-DTWKUNHWSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420626713 926607060 /nfs/dbraw/zinc/60/70/60/926607060.db2.gz ZZNVNZYLAKAYSV-ONGXEEELSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001420647046 926607202 /nfs/dbraw/zinc/60/72/02/926607202.db2.gz LGYPPULLQNYOLK-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001420647046 926607206 /nfs/dbraw/zinc/60/72/06/926607206.db2.gz LGYPPULLQNYOLK-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001420648518 926607420 /nfs/dbraw/zinc/60/74/20/926607420.db2.gz TVVZOOUEQFKOMM-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001420648518 926607424 /nfs/dbraw/zinc/60/74/24/926607424.db2.gz TVVZOOUEQFKOMM-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1n[nH]cc1F)C1CC1 ZINC001420684304 926608532 /nfs/dbraw/zinc/60/85/32/926608532.db2.gz AWZDIXDTMGOOHJ-UHFFFAOYSA-N 1 1 312.305 -1.062 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1n[nH]cc1F)C1CC1 ZINC001420684304 926608543 /nfs/dbraw/zinc/60/85/43/926608543.db2.gz AWZDIXDTMGOOHJ-UHFFFAOYSA-N 1 1 312.305 -1.062 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](CCCO)C2CC2)CC1=O ZINC001420670437 926608983 /nfs/dbraw/zinc/60/89/83/926608983.db2.gz FFPIGLUCVFAFDK-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)c1cnn(C)c1N)c1nnnn1C ZINC001420713884 926610022 /nfs/dbraw/zinc/61/00/22/926610022.db2.gz KZHSFAOIUUYINM-QMMMGPOBSA-N 1 1 307.362 -1.051 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccoc2CC(N)=O)CC1 ZINC001420708100 926610448 /nfs/dbraw/zinc/61/04/48/926610448.db2.gz UXLRPNIFVHXCIA-UHFFFAOYSA-N 1 1 308.338 -1.189 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001420705513 926610490 /nfs/dbraw/zinc/61/04/90/926610490.db2.gz BUKHSXOKCAUQKD-NSHDSACASA-N 1 1 319.373 -1.031 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC001420685506 926610751 /nfs/dbraw/zinc/61/07/51/926610751.db2.gz XDRMWEMPFHEALF-NEPJUHHUSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](CC(=O)NC1CC1)C1CC1 ZINC001420685506 926610761 /nfs/dbraw/zinc/61/07/61/926610761.db2.gz XDRMWEMPFHEALF-NEPJUHHUSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001420704886 926610782 /nfs/dbraw/zinc/61/07/82/926610782.db2.gz VABZLNXBHQBTTF-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001420684873 926610829 /nfs/dbraw/zinc/61/08/29/926610829.db2.gz NWJJVSCFIUSIQF-WDEREUQCSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001420684873 926610838 /nfs/dbraw/zinc/61/08/38/926610838.db2.gz NWJJVSCFIUSIQF-WDEREUQCSA-N 1 1 309.370 -1.473 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001420718537 926613133 /nfs/dbraw/zinc/61/31/33/926613133.db2.gz FTYMPZLZCVYWOP-QMMMGPOBSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001420718537 926613139 /nfs/dbraw/zinc/61/31/39/926613139.db2.gz FTYMPZLZCVYWOP-QMMMGPOBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)c1cn(C)c(=O)n1C)c1nnnn1C ZINC001420749228 926614701 /nfs/dbraw/zinc/61/47/01/926614701.db2.gz ZZROIBBWDPRBFJ-SECBINFHSA-N 1 1 322.373 -1.330 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O ZINC001420837259 926619185 /nfs/dbraw/zinc/61/91/85/926619185.db2.gz FXXJYOFMSCGMDZ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O ZINC001420837259 926619191 /nfs/dbraw/zinc/61/91/91/926619191.db2.gz FXXJYOFMSCGMDZ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420826089 926619444 /nfs/dbraw/zinc/61/94/44/926619444.db2.gz OCSUWBIQFPYGTE-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001420834787 926619622 /nfs/dbraw/zinc/61/96/22/926619622.db2.gz PBMYCTVEDUVLRO-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001420834787 926619627 /nfs/dbraw/zinc/61/96/27/926619627.db2.gz PBMYCTVEDUVLRO-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828968 926620051 /nfs/dbraw/zinc/62/00/51/926620051.db2.gz WXIQGFRVUCSQTF-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828968 926620056 /nfs/dbraw/zinc/62/00/56/926620056.db2.gz WXIQGFRVUCSQTF-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001420846989 926620388 /nfs/dbraw/zinc/62/03/88/926620388.db2.gz RETWMCVYGGTGGE-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420849670 926620943 /nfs/dbraw/zinc/62/09/43/926620943.db2.gz JKZAYJHLSIMLLW-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420849670 926620952 /nfs/dbraw/zinc/62/09/52/926620952.db2.gz JKZAYJHLSIMLLW-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CNC(=O)OC)C1 ZINC001420850182 926621163 /nfs/dbraw/zinc/62/11/63/926621163.db2.gz CSCUCUWKJMLCQC-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001420843459 926621203 /nfs/dbraw/zinc/62/12/03/926621203.db2.gz MOUASZBVRWSHGT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001420843459 926621207 /nfs/dbraw/zinc/62/12/07/926621207.db2.gz MOUASZBVRWSHGT-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420849904 926621335 /nfs/dbraw/zinc/62/13/35/926621335.db2.gz VZCLCSHKDVEVAD-JTQLQIEISA-N 1 1 312.374 -1.869 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420849904 926621340 /nfs/dbraw/zinc/62/13/40/926621340.db2.gz VZCLCSHKDVEVAD-JTQLQIEISA-N 1 1 312.374 -1.869 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001420862248 926621464 /nfs/dbraw/zinc/62/14/64/926621464.db2.gz HQUBQMHBDJDVHD-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001420844913 926622075 /nfs/dbraw/zinc/62/20/75/926622075.db2.gz FKOKAGTVCXZSSL-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001420882580 926623085 /nfs/dbraw/zinc/62/30/85/926623085.db2.gz FWPYYLAJMARSBT-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)C(C)C ZINC001420877767 926623846 /nfs/dbraw/zinc/62/38/46/926623846.db2.gz SLUJHTSLBRFLSC-YPMHNXCESA-N 1 1 301.387 -1.044 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)C(C)C ZINC001420877767 926623852 /nfs/dbraw/zinc/62/38/52/926623852.db2.gz SLUJHTSLBRFLSC-YPMHNXCESA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1nn(CC(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001420891852 926625597 /nfs/dbraw/zinc/62/55/97/926625597.db2.gz QXFYLXJHOIGPMD-LLVKDONJSA-N 1 1 324.385 -1.796 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001420897579 926626271 /nfs/dbraw/zinc/62/62/71/926626271.db2.gz IISYZFNBUZPLBU-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001420927075 926627251 /nfs/dbraw/zinc/62/72/51/926627251.db2.gz QVDMVZDZNLPGTL-LLVKDONJSA-N 1 1 312.370 -1.889 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420916513 926627363 /nfs/dbraw/zinc/62/73/63/926627363.db2.gz YCNNWCHCFZHZEX-VXGBXAGGSA-N 1 1 323.401 -1.070 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@H]3COC(=O)C3)CC2)nc1=O ZINC001420932010 926627611 /nfs/dbraw/zinc/62/76/11/926627611.db2.gz VOFFVXOWYMFKAF-SECBINFHSA-N 1 1 323.353 -1.200 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001420934863 926629585 /nfs/dbraw/zinc/62/95/85/926629585.db2.gz SHSMWGJPXXJXBP-SECBINFHSA-N 1 1 324.341 -1.081 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)Cn2ncnn2)CC1)Nc1ccon1 ZINC001420941780 926630382 /nfs/dbraw/zinc/63/03/82/926630382.db2.gz PPCRNSNYKZJBCO-UHFFFAOYSA-N 1 1 320.313 -1.462 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001420935606 926630562 /nfs/dbraw/zinc/63/05/62/926630562.db2.gz GTHHABQARGPOJN-NWDGAFQWSA-N 1 1 312.374 -1.539 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001420960423 926631323 /nfs/dbraw/zinc/63/13/23/926631323.db2.gz ZQGNTGSAQIOHPN-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001420977531 926631666 /nfs/dbraw/zinc/63/16/66/926631666.db2.gz VDJOEYDQDWJVGH-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001420977530 926632473 /nfs/dbraw/zinc/63/24/73/926632473.db2.gz VDJOEYDQDWJVGH-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001420983625 926632547 /nfs/dbraw/zinc/63/25/47/926632547.db2.gz SQZAMICILSXYGK-SNVBAGLBSA-N 1 1 324.385 -1.239 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001420960421 926633101 /nfs/dbraw/zinc/63/31/01/926633101.db2.gz ZQGNTGSAQIOHPN-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001420960451 926633191 /nfs/dbraw/zinc/63/31/91/926633191.db2.gz ZXAPVIBORLQVBK-VIFPVBQESA-N 1 1 307.354 -1.007 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001421008678 926634744 /nfs/dbraw/zinc/63/47/44/926634744.db2.gz XHKPZJSADLRRPB-NSHDSACASA-N 1 1 309.374 -1.083 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1([NH2+]Cc2cnns2)CC1 ZINC001420998447 926635149 /nfs/dbraw/zinc/63/51/49/926635149.db2.gz DFVXZZIGGYMDGB-UHFFFAOYSA-N 1 1 319.412 -1.174 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001421048104 926637831 /nfs/dbraw/zinc/63/78/31/926637831.db2.gz XMUQOGJRTTXWOU-VIFPVBQESA-N 1 1 302.350 -1.213 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001421043507 926638091 /nfs/dbraw/zinc/63/80/91/926638091.db2.gz HGOOHEIXMMTMJE-FZMZJTMJSA-N 1 1 324.385 -1.245 20 0 DAADMO CC(C)NC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001421059765 926639229 /nfs/dbraw/zinc/63/92/29/926639229.db2.gz TYGRANQLEAXEBN-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)NC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001421059765 926639232 /nfs/dbraw/zinc/63/92/32/926639232.db2.gz TYGRANQLEAXEBN-CYBMUJFWSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001421065974 926640944 /nfs/dbraw/zinc/64/09/44/926640944.db2.gz PFUOEJPCYHKSOY-LLVKDONJSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001421065985 926641044 /nfs/dbraw/zinc/64/10/44/926641044.db2.gz PFUOEJPCYHKSOY-NSHDSACASA-N 1 1 311.386 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001421071233 926641143 /nfs/dbraw/zinc/64/11/43/926641143.db2.gz CZVGFRBNJATAJH-UHFFFAOYSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CC2CC2)C1 ZINC001421096150 926642741 /nfs/dbraw/zinc/64/27/41/926642741.db2.gz SCFUGLVJLGHQFC-SECBINFHSA-N 1 1 307.358 -1.612 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(CC(=O)NC(=O)NC)C1 ZINC001421083286 926643018 /nfs/dbraw/zinc/64/30/18/926643018.db2.gz GQQCZUDHPPVBJN-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001421126188 926646245 /nfs/dbraw/zinc/64/62/45/926646245.db2.gz KANJRKIDAQGPCX-LBPRGKRZSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001421161467 926650812 /nfs/dbraw/zinc/65/08/12/926650812.db2.gz XAVZQQMLFUWKPE-JTQLQIEISA-N 1 1 323.401 -1.021 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001421149955 926651141 /nfs/dbraw/zinc/65/11/41/926651141.db2.gz PNZFTJOVQSXDSZ-NWDGAFQWSA-N 1 1 308.382 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001421171291 926651827 /nfs/dbraw/zinc/65/18/27/926651827.db2.gz FAQFCHXNMRIGLQ-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)NCCC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001421188342 926652939 /nfs/dbraw/zinc/65/29/39/926652939.db2.gz NLUWMOBAAFMFTQ-LBPRGKRZSA-N 1 1 313.402 -1.744 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192636 926653158 /nfs/dbraw/zinc/65/31/58/926653158.db2.gz NRELUMAIZXXALD-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192636 926653161 /nfs/dbraw/zinc/65/31/61/926653161.db2.gz NRELUMAIZXXALD-ISVAXAHUSA-N 1 1 323.357 -1.407 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421199534 926653935 /nfs/dbraw/zinc/65/39/35/926653935.db2.gz AQKOMRXSSWWWAV-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421199534 926653941 /nfs/dbraw/zinc/65/39/41/926653941.db2.gz AQKOMRXSSWWWAV-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207324 926654550 /nfs/dbraw/zinc/65/45/50/926654550.db2.gz NEJUNKIMWAEFIJ-BXKDBHETSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001421207324 926654555 /nfs/dbraw/zinc/65/45/55/926654555.db2.gz NEJUNKIMWAEFIJ-BXKDBHETSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211825 926655325 /nfs/dbraw/zinc/65/53/25/926655325.db2.gz UMVGEWJJLIVVBH-JOYOIKCWSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211825 926655332 /nfs/dbraw/zinc/65/53/32/926655332.db2.gz UMVGEWJJLIVVBH-JOYOIKCWSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)NS(C)(=O)=O ZINC001421205228 926655442 /nfs/dbraw/zinc/65/54/42/926655442.db2.gz RATIUDQASADZGT-DCAQKATOSA-N 1 1 319.427 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421212213 926655513 /nfs/dbraw/zinc/65/55/13/926655513.db2.gz COCULGUWFXMFLB-KOLCDFICSA-N 1 1 308.404 -1.998 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001421197362 926655641 /nfs/dbraw/zinc/65/56/41/926655641.db2.gz XTNYGULRQGPBCD-LBPRGKRZSA-N 1 1 322.431 -1.703 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001421221218 926656389 /nfs/dbraw/zinc/65/63/89/926656389.db2.gz VWCAWQMCAYYGHG-JTQLQIEISA-N 1 1 306.388 -2.138 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001421221218 926656395 /nfs/dbraw/zinc/65/63/95/926656395.db2.gz VWCAWQMCAYYGHG-JTQLQIEISA-N 1 1 306.388 -2.138 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421215595 926656872 /nfs/dbraw/zinc/65/68/72/926656872.db2.gz ZUMPOZZGJPWWOF-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421215595 926656879 /nfs/dbraw/zinc/65/68/79/926656879.db2.gz ZUMPOZZGJPWWOF-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421236494 926657542 /nfs/dbraw/zinc/65/75/42/926657542.db2.gz ADOWBZBYVMYHOA-SCZZXKLOSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421236494 926657550 /nfs/dbraw/zinc/65/75/50/926657550.db2.gz ADOWBZBYVMYHOA-SCZZXKLOSA-N 1 1 313.358 -2.697 20 0 DAADMO Cn1cnn(CCC(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)c1=O ZINC001421222076 926658329 /nfs/dbraw/zinc/65/83/29/926658329.db2.gz UBUVUEOAZPYLPO-CQSZACIVSA-N 1 1 311.386 -1.065 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421271603 926659864 /nfs/dbraw/zinc/65/98/64/926659864.db2.gz OLZNIQYCEDQKPA-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421271603 926659873 /nfs/dbraw/zinc/65/98/73/926659873.db2.gz OLZNIQYCEDQKPA-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001421287974 926660097 /nfs/dbraw/zinc/66/00/97/926660097.db2.gz MLLMALASMRBMQG-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421271839 926660726 /nfs/dbraw/zinc/66/07/26/926660726.db2.gz VJEHIGRORWZVNJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421271839 926660735 /nfs/dbraw/zinc/66/07/35/926660735.db2.gz VJEHIGRORWZVNJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421303116 926661651 /nfs/dbraw/zinc/66/16/51/926661651.db2.gz QEAHNEWRFFTLDT-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421303116 926661659 /nfs/dbraw/zinc/66/16/59/926661659.db2.gz QEAHNEWRFFTLDT-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001421318648 926661824 /nfs/dbraw/zinc/66/18/24/926661824.db2.gz XCIFICUYGBRSDD-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311693 926662679 /nfs/dbraw/zinc/66/26/79/926662679.db2.gz NJAYCJKITVOGET-VHSXEESVSA-N 1 1 320.415 -1.538 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311693 926662684 /nfs/dbraw/zinc/66/26/84/926662684.db2.gz NJAYCJKITVOGET-VHSXEESVSA-N 1 1 320.415 -1.538 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001421323137 926663138 /nfs/dbraw/zinc/66/31/38/926663138.db2.gz YZZWJBYFHDPQHE-YPMHNXCESA-N 1 1 322.427 -1.134 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001421323137 926663142 /nfs/dbraw/zinc/66/31/42/926663142.db2.gz YZZWJBYFHDPQHE-YPMHNXCESA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300500 926663259 /nfs/dbraw/zinc/66/32/59/926663259.db2.gz JYXJYDXTECJPFX-IUCAKERBSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300500 926663268 /nfs/dbraw/zinc/66/32/68/926663268.db2.gz JYXJYDXTECJPFX-IUCAKERBSA-N 1 1 324.345 -2.211 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320395 926663284 /nfs/dbraw/zinc/66/32/84/926663284.db2.gz PMVXWVLGMLOTDH-XPTSAGLGSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320395 926663292 /nfs/dbraw/zinc/66/32/92/926663292.db2.gz PMVXWVLGMLOTDH-XPTSAGLGSA-N 1 1 312.370 -1.064 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324219 926663616 /nfs/dbraw/zinc/66/36/16/926663616.db2.gz LTZFCILVNRJQHU-JMCQJSRRSA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324219 926663623 /nfs/dbraw/zinc/66/36/23/926663623.db2.gz LTZFCILVNRJQHU-JMCQJSRRSA-N 1 1 322.312 -1.222 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421323947 926663747 /nfs/dbraw/zinc/66/37/47/926663747.db2.gz BPXARJHUWLIMQF-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001421323947 926663755 /nfs/dbraw/zinc/66/37/55/926663755.db2.gz BPXARJHUWLIMQF-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001421332867 926664658 /nfs/dbraw/zinc/66/46/58/926664658.db2.gz RWPHJGBQDBWRJB-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001421332867 926664667 /nfs/dbraw/zinc/66/46/67/926664667.db2.gz RWPHJGBQDBWRJB-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001421329266 926664943 /nfs/dbraw/zinc/66/49/43/926664943.db2.gz LNTIYRCPPNGJMX-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001421329266 926664945 /nfs/dbraw/zinc/66/49/45/926664945.db2.gz LNTIYRCPPNGJMX-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001421329855 926665639 /nfs/dbraw/zinc/66/56/39/926665639.db2.gz YFOGIPGMWFRYGJ-MADCSZMMSA-N 1 1 322.312 -1.351 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001421329855 926665647 /nfs/dbraw/zinc/66/56/47/926665647.db2.gz YFOGIPGMWFRYGJ-MADCSZMMSA-N 1 1 322.312 -1.351 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)OC)C1 ZINC001421333973 926665916 /nfs/dbraw/zinc/66/59/16/926665916.db2.gz BGKBJLPXZIYJSL-MFKMUULPSA-N 1 1 303.359 -1.070 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001421338795 926665804 /nfs/dbraw/zinc/66/58/04/926665804.db2.gz NMQXMRUFMXKAIT-SMDDNHRTSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001421338795 926665815 /nfs/dbraw/zinc/66/58/15/926665815.db2.gz NMQXMRUFMXKAIT-SMDDNHRTSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001421338786 926665998 /nfs/dbraw/zinc/66/59/98/926665998.db2.gz NMQXMRUFMXKAIT-BXUZGUMPSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001421338786 926666007 /nfs/dbraw/zinc/66/60/07/926666007.db2.gz NMQXMRUFMXKAIT-BXUZGUMPSA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328477 926666316 /nfs/dbraw/zinc/66/63/16/926666316.db2.gz LFKJHFZLPCDGIW-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328477 926666326 /nfs/dbraw/zinc/66/63/26/926666326.db2.gz LFKJHFZLPCDGIW-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328480 926666380 /nfs/dbraw/zinc/66/63/80/926666380.db2.gz LFKJHFZLPCDGIW-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001421328480 926666384 /nfs/dbraw/zinc/66/63/84/926666384.db2.gz LFKJHFZLPCDGIW-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001421330429 926666554 /nfs/dbraw/zinc/66/65/54/926666554.db2.gz OEBGQTBWYIBZBN-TVQRCGJNSA-N 1 1 300.359 -2.190 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329357 926666734 /nfs/dbraw/zinc/66/67/34/926666734.db2.gz MCBNMHRZMYDRME-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329357 926666740 /nfs/dbraw/zinc/66/67/40/926666740.db2.gz MCBNMHRZMYDRME-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO Cc1nnsc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421326756 926666887 /nfs/dbraw/zinc/66/68/87/926666887.db2.gz GILKLEILLYPYEG-QPUJVOFHSA-N 1 1 313.383 -1.113 20 0 DAADMO Cc1nnsc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421326756 926666894 /nfs/dbraw/zinc/66/68/94/926666894.db2.gz GILKLEILLYPYEG-QPUJVOFHSA-N 1 1 313.383 -1.113 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001421325452 926666992 /nfs/dbraw/zinc/66/69/92/926666992.db2.gz CSJHHXCMLCVIIT-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001421348946 926667829 /nfs/dbraw/zinc/66/78/29/926667829.db2.gz LRVBXZACSNXMGK-GFCCVEGCSA-N 1 1 322.431 -1.703 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001421341804 926668013 /nfs/dbraw/zinc/66/80/13/926668013.db2.gz SDEKSIRJSFXAGH-YGRLFVJLSA-N 1 1 309.370 -1.149 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001421343041 926668544 /nfs/dbraw/zinc/66/85/44/926668544.db2.gz APHIHYLYPOAIDB-LLVKDONJSA-N 1 1 322.387 -3.084 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001421343041 926668551 /nfs/dbraw/zinc/66/85/51/926668551.db2.gz APHIHYLYPOAIDB-LLVKDONJSA-N 1 1 322.387 -3.084 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001421348634 926668580 /nfs/dbraw/zinc/66/85/80/926668580.db2.gz MKULHHJRIYRNAD-YMTOWFKASA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1ncc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001421348634 926668585 /nfs/dbraw/zinc/66/85/85/926668585.db2.gz MKULHHJRIYRNAD-YMTOWFKASA-N 1 1 310.354 -1.048 20 0 DAADMO O=C(CCn1cncn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421346403 926668770 /nfs/dbraw/zinc/66/87/70/926668770.db2.gz ZSEUAICJRPJSST-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1cncn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421346403 926668774 /nfs/dbraw/zinc/66/87/74/926668774.db2.gz ZSEUAICJRPJSST-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO CN(C)C(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421341089 926668868 /nfs/dbraw/zinc/66/88/68/926668868.db2.gz PFGYTSMJULPUJZ-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(CCn1cncn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421346401 926669706 /nfs/dbraw/zinc/66/97/06/926669706.db2.gz ZSEUAICJRPJSST-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1cncn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421346401 926669714 /nfs/dbraw/zinc/66/97/14/926669714.db2.gz ZSEUAICJRPJSST-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421343561 926670042 /nfs/dbraw/zinc/67/00/42/926670042.db2.gz UHCBBRXWQIJWBW-TVQRCGJNSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421343561 926670048 /nfs/dbraw/zinc/67/00/48/926670048.db2.gz UHCBBRXWQIJWBW-TVQRCGJNSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001421342799 926670139 /nfs/dbraw/zinc/67/01/39/926670139.db2.gz ABKVSJDZZVTLPM-CYBMUJFWSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001421348622 926670196 /nfs/dbraw/zinc/67/01/96/926670196.db2.gz MKULHHJRIYRNAD-OTYXRUKQSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001421348622 926670202 /nfs/dbraw/zinc/67/02/02/926670202.db2.gz MKULHHJRIYRNAD-OTYXRUKQSA-N 1 1 310.354 -1.048 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001421342806 926670422 /nfs/dbraw/zinc/67/04/22/926670422.db2.gz ABKVSJDZZVTLPM-ZDUSSCGKSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001421353289 926671834 /nfs/dbraw/zinc/67/18/34/926671834.db2.gz FXDLXSPNBQGCJA-GXFFZTMASA-N 1 1 310.358 -1.754 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421353832 926672149 /nfs/dbraw/zinc/67/21/49/926672149.db2.gz VDNXFBIYEIJTHR-LBPRGKRZSA-N 1 1 311.346 -2.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421353832 926672156 /nfs/dbraw/zinc/67/21/56/926672156.db2.gz VDNXFBIYEIJTHR-LBPRGKRZSA-N 1 1 311.346 -2.686 20 0 DAADMO O=C(CCn1ccnn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421350753 926672182 /nfs/dbraw/zinc/67/21/82/926672182.db2.gz SHVKEQJDSKDXQB-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1ccnn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421350753 926672190 /nfs/dbraw/zinc/67/21/90/926672190.db2.gz SHVKEQJDSKDXQB-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001421352999 926672622 /nfs/dbraw/zinc/67/26/22/926672622.db2.gz XXHCFIXOMCUJQP-XPTSAGLGSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001421352999 926672628 /nfs/dbraw/zinc/67/26/28/926672628.db2.gz XXHCFIXOMCUJQP-XPTSAGLGSA-N 1 1 312.370 -2.109 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421355810 926672792 /nfs/dbraw/zinc/67/27/92/926672792.db2.gz ICLVVPCIPPUBJJ-GWCFXTLKSA-N 1 1 313.358 -2.011 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421350748 926672946 /nfs/dbraw/zinc/67/29/46/926672946.db2.gz SHVKEQJDSKDXQB-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421350748 926672953 /nfs/dbraw/zinc/67/29/53/926672953.db2.gz SHVKEQJDSKDXQB-FZMZJTMJSA-N 1 1 322.369 -1.890 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001421352994 926673074 /nfs/dbraw/zinc/67/30/74/926673074.db2.gz XXHCFIXOMCUJQP-LKFCYVNXSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC001421352994 926673084 /nfs/dbraw/zinc/67/30/84/926673084.db2.gz XXHCFIXOMCUJQP-LKFCYVNXSA-N 1 1 312.370 -2.109 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001421353066 926673259 /nfs/dbraw/zinc/67/32/59/926673259.db2.gz TTZAORIVQVETED-GLQYFDAESA-N 1 1 321.381 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001421353066 926673270 /nfs/dbraw/zinc/67/32/70/926673270.db2.gz TTZAORIVQVETED-GLQYFDAESA-N 1 1 321.381 -1.095 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001421355026 926673440 /nfs/dbraw/zinc/67/34/40/926673440.db2.gz ZFBMXZREENMKRF-MFKMUULPSA-N 1 1 318.374 -2.524 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001421353063 926673587 /nfs/dbraw/zinc/67/35/87/926673587.db2.gz TTZAORIVQVETED-CQDKDKBSSA-N 1 1 321.381 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001421353063 926673596 /nfs/dbraw/zinc/67/35/96/926673596.db2.gz TTZAORIVQVETED-CQDKDKBSSA-N 1 1 321.381 -1.095 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001421356145 926673618 /nfs/dbraw/zinc/67/36/18/926673618.db2.gz CTHSPKFKOGZCMW-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001421356145 926673627 /nfs/dbraw/zinc/67/36/27/926673627.db2.gz CTHSPKFKOGZCMW-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001421353291 926673735 /nfs/dbraw/zinc/67/37/35/926673735.db2.gz FXDLXSPNBQGCJA-MFKMUULPSA-N 1 1 310.358 -1.754 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421353817 926674214 /nfs/dbraw/zinc/67/42/14/926674214.db2.gz VDNXFBIYEIJTHR-GFCCVEGCSA-N 1 1 311.346 -2.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421353817 926674228 /nfs/dbraw/zinc/67/42/28/926674228.db2.gz VDNXFBIYEIJTHR-GFCCVEGCSA-N 1 1 311.346 -2.686 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001421369120 926675150 /nfs/dbraw/zinc/67/51/50/926675150.db2.gz IVBCRLGZXLYIOM-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001421360236 926675184 /nfs/dbraw/zinc/67/51/84/926675184.db2.gz MNHMRSKFKORILJ-SMDDNHRTSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001421360236 926675194 /nfs/dbraw/zinc/67/51/94/926675194.db2.gz MNHMRSKFKORILJ-SMDDNHRTSA-N 1 1 322.369 -1.788 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001421368904 926675334 /nfs/dbraw/zinc/67/53/34/926675334.db2.gz PAWAKVFLVUAUHL-LKFCYVNXSA-N 1 1 320.353 -1.100 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001421366214 926675416 /nfs/dbraw/zinc/67/54/16/926675416.db2.gz UKHHYHYFGJVJMA-IINYFYTJSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001421366214 926675421 /nfs/dbraw/zinc/67/54/21/926675421.db2.gz UKHHYHYFGJVJMA-IINYFYTJSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421362417 926675931 /nfs/dbraw/zinc/67/59/31/926675931.db2.gz ILMNVYKCQDMTPH-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421362417 926675941 /nfs/dbraw/zinc/67/59/41/926675941.db2.gz ILMNVYKCQDMTPH-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(COC)CC2)C1 ZINC001421359577 926676034 /nfs/dbraw/zinc/67/60/34/926676034.db2.gz HOYZVOJDJILKIR-WFASDCNBSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001421368340 926676152 /nfs/dbraw/zinc/67/61/52/926676152.db2.gz HGOBSEYVIUTGBP-AWEZNQCLSA-N 1 1 314.386 -2.646 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001421369683 926676608 /nfs/dbraw/zinc/67/66/08/926676608.db2.gz LDPFYIFKUYDDEL-MRXNPFEDSA-N 1 1 324.425 -1.229 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360574 926676785 /nfs/dbraw/zinc/67/67/85/926676785.db2.gz GEDIIWDYNUBELI-YMTOWFKASA-N 1 1 323.353 -1.684 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360574 926676795 /nfs/dbraw/zinc/67/67/95/926676795.db2.gz GEDIIWDYNUBELI-YMTOWFKASA-N 1 1 323.353 -1.684 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2C)C1 ZINC001421360205 926677049 /nfs/dbraw/zinc/67/70/49/926677049.db2.gz MKKORZKLIHRNFL-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001421365298 926677224 /nfs/dbraw/zinc/67/72/24/926677224.db2.gz BTEBKSFSLPYAGI-BXKDBHETSA-N 1 1 316.383 -1.288 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421378146 926678363 /nfs/dbraw/zinc/67/83/63/926678363.db2.gz FBYQEPDAJYCONV-NSHDSACASA-N 1 1 324.403 -3.072 20 0 DAADMO CC[C@@H](CNC(=O)c1nnn(C)c1C)[NH2+]Cc1nnnn1C ZINC001421374288 926678935 /nfs/dbraw/zinc/67/89/35/926678935.db2.gz IHAMOZMSYYMSIE-VIFPVBQESA-N 1 1 307.362 -1.055 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001421378121 926679666 /nfs/dbraw/zinc/67/96/66/926679666.db2.gz DZBTUZXUBBVBOJ-GXFFZTMASA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001421369994 926679687 /nfs/dbraw/zinc/67/96/87/926679687.db2.gz XIBDNEZODBVDKK-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001421369994 926679693 /nfs/dbraw/zinc/67/96/93/926679693.db2.gz XIBDNEZODBVDKK-AWEZNQCLSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421378235 926679712 /nfs/dbraw/zinc/67/97/12/926679712.db2.gz FKWOSISBILAVDR-IUODEOHRSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421378235 926679722 /nfs/dbraw/zinc/67/97/22/926679722.db2.gz FKWOSISBILAVDR-IUODEOHRSA-N 1 1 321.381 -1.367 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001421374049 926680066 /nfs/dbraw/zinc/68/00/66/926680066.db2.gz IMIMRVIDKJVAJT-RISCZKNCSA-N 1 1 322.369 -1.846 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001421375208 926680467 /nfs/dbraw/zinc/68/04/67/926680467.db2.gz YKQZNCMXBCIFGB-AWEZNQCLSA-N 1 1 322.369 -1.488 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001421375208 926680475 /nfs/dbraw/zinc/68/04/75/926680475.db2.gz YKQZNCMXBCIFGB-AWEZNQCLSA-N 1 1 322.369 -1.488 20 0 DAADMO O=C(Cn1ncc2cccnc21)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001421370537 926680887 /nfs/dbraw/zinc/68/08/87/926680887.db2.gz GGQDLKMRSVUACL-OAHLLOKOSA-N 1 1 319.365 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001421375700 926680966 /nfs/dbraw/zinc/68/09/66/926680966.db2.gz KTKMMWVEDMEWSF-HZMBPMFUSA-N 1 1 310.354 -1.095 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421378240 926681028 /nfs/dbraw/zinc/68/10/28/926681028.db2.gz FKWOSISBILAVDR-SWLSCSKDSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421378240 926681034 /nfs/dbraw/zinc/68/10/34/926681034.db2.gz FKWOSISBILAVDR-SWLSCSKDSA-N 1 1 321.381 -1.367 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccn2nnnc2c1 ZINC001421370387 926681070 /nfs/dbraw/zinc/68/10/70/926681070.db2.gz MWIOQSGIASHRIT-CYBMUJFWSA-N 1 1 306.326 -1.717 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421384003 926683976 /nfs/dbraw/zinc/68/39/76/926683976.db2.gz PMKYCEJVCYVBEH-REJLFOLJSA-N 1 1 311.382 -1.480 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421384003 926683987 /nfs/dbraw/zinc/68/39/87/926683987.db2.gz PMKYCEJVCYVBEH-REJLFOLJSA-N 1 1 311.382 -1.480 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC001421389011 926684519 /nfs/dbraw/zinc/68/45/19/926684519.db2.gz DQUJUBIXTJHHAU-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421388486 926685044 /nfs/dbraw/zinc/68/50/44/926685044.db2.gz IDBGSVRWNBHITI-RISCZKNCSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421388486 926685055 /nfs/dbraw/zinc/68/50/55/926685055.db2.gz IDBGSVRWNBHITI-RISCZKNCSA-N 1 1 307.354 -1.675 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001421388373 926685256 /nfs/dbraw/zinc/68/52/56/926685256.db2.gz HVICEEALLFCXCA-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO Cn1ncnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421385054 926685365 /nfs/dbraw/zinc/68/53/65/926685365.db2.gz GMKOCSLYYABBRH-SWLSCSKDSA-N 1 1 322.413 -1.180 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001421383222 926685445 /nfs/dbraw/zinc/68/54/45/926685445.db2.gz ZTCIGHMRPAHURE-HNNXBMFYSA-N 1 1 322.365 -1.242 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2ccc(=O)[nH]c2)C1 ZINC001421383222 926685456 /nfs/dbraw/zinc/68/54/56/926685456.db2.gz ZTCIGHMRPAHURE-HNNXBMFYSA-N 1 1 322.365 -1.242 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398154 926686860 /nfs/dbraw/zinc/68/68/60/926686860.db2.gz RJRGVFOKVRXCEY-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398154 926686868 /nfs/dbraw/zinc/68/68/68/926686868.db2.gz RJRGVFOKVRXCEY-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001421400776 926687251 /nfs/dbraw/zinc/68/72/51/926687251.db2.gz WQDKLXFGQUAZBH-YGRLFVJLSA-N 1 1 307.354 -1.093 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001421400309 926687825 /nfs/dbraw/zinc/68/78/25/926687825.db2.gz SFYILJGICFDULN-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001421400309 926687838 /nfs/dbraw/zinc/68/78/38/926687838.db2.gz SFYILJGICFDULN-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421401545 926688047 /nfs/dbraw/zinc/68/80/47/926688047.db2.gz BXCRPKBEOPIHSO-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001421401545 926688060 /nfs/dbraw/zinc/68/80/60/926688060.db2.gz BXCRPKBEOPIHSO-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001421401545 926688077 /nfs/dbraw/zinc/68/80/77/926688077.db2.gz BXCRPKBEOPIHSO-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001421396745 926688586 /nfs/dbraw/zinc/68/85/86/926688586.db2.gz NSGMZYAOVDPHNA-ZDUSSCGKSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001421396745 926688593 /nfs/dbraw/zinc/68/85/93/926688593.db2.gz NSGMZYAOVDPHNA-ZDUSSCGKSA-N 1 1 311.342 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc(C)cn2)C1 ZINC001421395488 926688720 /nfs/dbraw/zinc/68/87/20/926688720.db2.gz XFEZJYHJGRLZQR-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc(C)cn2)C1 ZINC001421395488 926688722 /nfs/dbraw/zinc/68/87/22/926688722.db2.gz XFEZJYHJGRLZQR-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO CC(=O)NC1(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCCC1 ZINC001421404502 926690094 /nfs/dbraw/zinc/69/00/94/926690094.db2.gz ZVUSADCSABBZER-CQSZACIVSA-N 1 1 313.398 -1.019 20 0 DAADMO CC[C@H](CNC(=O)C1CN(C(C)=O)C1)[NH2+]Cc1nnnn1C ZINC001421410905 926691096 /nfs/dbraw/zinc/69/10/96/926691096.db2.gz SAXGTPBBOXHZKY-LLVKDONJSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405930 926691103 /nfs/dbraw/zinc/69/11/03/926691103.db2.gz HKXDQRHCPALQDG-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405930 926691124 /nfs/dbraw/zinc/69/11/24/926691124.db2.gz HKXDQRHCPALQDG-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421414795 926693219 /nfs/dbraw/zinc/69/32/19/926693219.db2.gz APLGCPZHLYMHAA-VXGBXAGGSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001421413788 926693506 /nfs/dbraw/zinc/69/35/06/926693506.db2.gz AAWOODWTFXBPKV-NWDGAFQWSA-N 1 1 300.355 -1.399 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001421413761 926693601 /nfs/dbraw/zinc/69/36/01/926693601.db2.gz AAWOODWTFXBPKV-NEPJUHHUSA-N 1 1 300.355 -1.399 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001421419756 926695781 /nfs/dbraw/zinc/69/57/81/926695781.db2.gz ZRGXXPBVXZBQDB-RNCFNFMXSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001421423597 926697425 /nfs/dbraw/zinc/69/74/25/926697425.db2.gz GIQSBBOKSGQSPJ-WDEREUQCSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001421428479 926697799 /nfs/dbraw/zinc/69/77/99/926697799.db2.gz UDJUISXRSUPMNB-QWRGUYRKSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001421428479 926697807 /nfs/dbraw/zinc/69/78/07/926697807.db2.gz UDJUISXRSUPMNB-QWRGUYRKSA-N 1 1 314.386 -2.256 20 0 DAADMO Cc1c(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)nnn1C ZINC001421429549 926700909 /nfs/dbraw/zinc/70/09/09/926700909.db2.gz XGCBSZNMJGFDME-NSHDSACASA-N 1 1 309.370 -1.063 20 0 DAADMO CNC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001421439296 926702202 /nfs/dbraw/zinc/70/22/02/926702202.db2.gz FNFZMQMWIYVZFZ-LLVKDONJSA-N 1 1 314.386 -1.353 20 0 DAADMO CN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)CC1=O ZINC001421438339 926702698 /nfs/dbraw/zinc/70/26/98/926702698.db2.gz FCEHRUXNYBZZEP-NWDGAFQWSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001421441278 926703127 /nfs/dbraw/zinc/70/31/27/926703127.db2.gz ILNILOCARWNDTI-UHFFFAOYSA-N 1 1 320.357 -1.771 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nncn1C ZINC001421447778 926704260 /nfs/dbraw/zinc/70/42/60/926704260.db2.gz GERKFMILLFMJJW-OUAUKWLOSA-N 1 1 324.385 -1.168 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001421446799 926704782 /nfs/dbraw/zinc/70/47/82/926704782.db2.gz URJUPBQUBSKEIC-UHFFFAOYSA-N 1 1 324.381 -1.634 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001421447942 926704857 /nfs/dbraw/zinc/70/48/57/926704857.db2.gz XLWRZFFMCZIZQG-UHFFFAOYSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001421461445 926709287 /nfs/dbraw/zinc/70/92/87/926709287.db2.gz XBPXBDYHNCVORW-ZDUSSCGKSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@H]3CCCCO3)C2)n1 ZINC001421462524 926710120 /nfs/dbraw/zinc/71/01/20/926710120.db2.gz APOAHZNSEWLDJH-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1ncnn1C ZINC001421469201 926712851 /nfs/dbraw/zinc/71/28/51/926712851.db2.gz OOQKHPJOCNGMBL-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001421481217 926715629 /nfs/dbraw/zinc/71/56/29/926715629.db2.gz JEDKHDZNAZMBRE-UHFFFAOYSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001421493737 926716568 /nfs/dbraw/zinc/71/65/68/926716568.db2.gz HKEXXJJLZPBJIS-AWEZNQCLSA-N 1 1 310.398 -1.619 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001421490115 926718034 /nfs/dbraw/zinc/71/80/34/926718034.db2.gz NODGYRBXALLLCV-RYUDHWBXSA-N 1 1 300.403 -1.076 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN([C@H](C)C(=O)N(C)C)C1 ZINC001421494445 926718407 /nfs/dbraw/zinc/71/84/07/926718407.db2.gz IOGNOVQKVJTTNF-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001421502201 926720741 /nfs/dbraw/zinc/72/07/41/926720741.db2.gz DGDSLNALZLRVDH-JTQLQIEISA-N 1 1 305.400 -1.359 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001421505519 926722121 /nfs/dbraw/zinc/72/21/21/926722121.db2.gz UWQATULKGIPOPD-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001421502382 926722770 /nfs/dbraw/zinc/72/27/70/926722770.db2.gz JWPDGAFPYRFEJT-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421502211 926723323 /nfs/dbraw/zinc/72/33/23/926723323.db2.gz DLUZQUPEIAKWIX-UHFFFAOYSA-N 1 1 309.370 -1.509 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001421562218 926723977 /nfs/dbraw/zinc/72/39/77/926723977.db2.gz NZRCZFVREOCXPC-ZRUFSTJUSA-N 1 1 312.370 -1.005 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cnnn1)C2 ZINC001421536914 926724574 /nfs/dbraw/zinc/72/45/74/926724574.db2.gz GQTVYILTZNLEPO-ZSBIGDGJSA-N 1 1 321.385 -1.092 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001421570126 926727666 /nfs/dbraw/zinc/72/76/66/926727666.db2.gz SEACJVDJLNOHOT-GRYCIOLGSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)C1 ZINC001421570645 926728048 /nfs/dbraw/zinc/72/80/48/926728048.db2.gz WLJOYXIJRCKWIG-WISYIIOYSA-N 1 1 324.381 -1.004 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001421602563 926729280 /nfs/dbraw/zinc/72/92/80/926729280.db2.gz XLUSEPCJTUIJGZ-BXUZGUMPSA-N 1 1 312.370 -1.026 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1COCCO1 ZINC001421593300 926730225 /nfs/dbraw/zinc/73/02/25/926730225.db2.gz BPJWYXCYWLACDZ-JSGCOSHPSA-N 1 1 302.371 -1.273 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421626054 926732212 /nfs/dbraw/zinc/73/22/12/926732212.db2.gz WEIVMOJTSYHJJN-SMDDNHRTSA-N 1 1 301.387 -1.177 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O)NC(N)=O ZINC001421607481 926732667 /nfs/dbraw/zinc/73/26/67/926732667.db2.gz BCNDAPZWKXKHHT-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O)NC(N)=O ZINC001421607481 926732678 /nfs/dbraw/zinc/73/26/78/926732678.db2.gz BCNDAPZWKXKHHT-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)CCNC(N)=O)CC2)n1 ZINC001421609580 926732898 /nfs/dbraw/zinc/73/28/98/926732898.db2.gz PHESZNOQMZSICB-MGCOHNPYSA-N 1 1 324.389 -1.215 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001421624653 926733909 /nfs/dbraw/zinc/73/39/09/926733909.db2.gz UZCIEJWVYNNQDE-AWEZNQCLSA-N 1 1 314.386 -2.646 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@@H+](CCCF)C1)[C@@H]1CNC(=O)N1 ZINC001421620044 926733938 /nfs/dbraw/zinc/73/39/38/926733938.db2.gz OKGMOCAFBFTLTN-GXFFZTMASA-N 1 1 302.350 -1.030 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001421629109 926737869 /nfs/dbraw/zinc/73/78/69/926737869.db2.gz CVDUFIBYRCQFET-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO NS(=O)(=O)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC001421651750 926742117 /nfs/dbraw/zinc/74/21/17/926742117.db2.gz CKQYNTABPSTRGC-UHFFFAOYSA-N 1 1 311.429 -1.225 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001421672080 926742462 /nfs/dbraw/zinc/74/24/62/926742462.db2.gz ZVMDWPIBFNYSKI-TXEJJXNPSA-N 1 1 306.370 -1.159 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001421672080 926742467 /nfs/dbraw/zinc/74/24/67/926742467.db2.gz ZVMDWPIBFNYSKI-TXEJJXNPSA-N 1 1 306.370 -1.159 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421701440 926745458 /nfs/dbraw/zinc/74/54/58/926745458.db2.gz OSEITBTVTGQONV-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001421714799 926747586 /nfs/dbraw/zinc/74/75/86/926747586.db2.gz MSQONQOGTFIOPH-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 ZINC001421737499 926749268 /nfs/dbraw/zinc/74/92/68/926749268.db2.gz QLBNAGKBKVQLHP-SNVBAGLBSA-N 1 1 321.385 -1.135 20 0 DAADMO CN1C[C@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)NC1=O ZINC001421755659 926752345 /nfs/dbraw/zinc/75/23/45/926752345.db2.gz AMPRQKPENFVMOC-SECBINFHSA-N 1 1 322.373 -1.638 20 0 DAADMO COC[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001421809313 926760751 /nfs/dbraw/zinc/76/07/51/926760751.db2.gz WLRCRGFOHLDEBS-MNOVXSKESA-N 1 1 312.374 -1.190 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807047 926761710 /nfs/dbraw/zinc/76/17/10/926761710.db2.gz MVULGTGNOKTKCH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807047 926761719 /nfs/dbraw/zinc/76/17/19/926761719.db2.gz MVULGTGNOKTKCH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cn1cccn1 ZINC001421828306 926763448 /nfs/dbraw/zinc/76/34/48/926763448.db2.gz HNGKDCOWTNVSMR-UHFFFAOYSA-N 1 1 310.358 -1.142 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001421825146 926764085 /nfs/dbraw/zinc/76/40/85/926764085.db2.gz OFGJTJRLSDZFEH-SNVBAGLBSA-N 1 1 313.358 -1.712 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001421822152 926764455 /nfs/dbraw/zinc/76/44/55/926764455.db2.gz DHPLZYPEVRLLPB-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001421828400 926764496 /nfs/dbraw/zinc/76/44/96/926764496.db2.gz CAOGABIKOFRGHE-UHFFFAOYSA-N 1 1 315.374 -1.560 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421813282 926765043 /nfs/dbraw/zinc/76/50/43/926765043.db2.gz CJUMVXKIJKFEMU-ZYHUDNBSSA-N 1 1 309.370 -1.109 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001421874021 926767360 /nfs/dbraw/zinc/76/73/60/926767360.db2.gz UCSPUPRYGJQVJF-LLVKDONJSA-N 1 1 323.401 -1.109 20 0 DAADMO CN(CCC[N@H+](C)Cc1cnnn1C)C(=O)Cn1cnnn1 ZINC001421830297 926767835 /nfs/dbraw/zinc/76/78/35/926767835.db2.gz PVHRTKTVYQSGEZ-UHFFFAOYSA-N 1 1 307.362 -1.218 20 0 DAADMO CN(CCC[N@@H+](C)Cc1cnnn1C)C(=O)Cn1cnnn1 ZINC001421830297 926767843 /nfs/dbraw/zinc/76/78/43/926767843.db2.gz PVHRTKTVYQSGEZ-UHFFFAOYSA-N 1 1 307.362 -1.218 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CN1CCOCC1=O ZINC001421905242 926769608 /nfs/dbraw/zinc/76/96/08/926769608.db2.gz SMNIXZVKVYIRAM-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC001421915741 926771780 /nfs/dbraw/zinc/77/17/80/926771780.db2.gz KNYPQYGCXIMIOK-VXGBXAGGSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC001421915741 926771784 /nfs/dbraw/zinc/77/17/84/926771784.db2.gz KNYPQYGCXIMIOK-VXGBXAGGSA-N 1 1 302.371 -1.145 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001421918568 926772437 /nfs/dbraw/zinc/77/24/37/926772437.db2.gz SGSMEZIUBFSLQB-VXGBXAGGSA-N 1 1 310.354 -1.002 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001421912199 926773410 /nfs/dbraw/zinc/77/34/10/926773410.db2.gz NQTBMTPXAKXYJS-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO NC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001421974979 926777455 /nfs/dbraw/zinc/77/74/55/926777455.db2.gz ZPRNDCWAVXWDDT-CJNGLKHVSA-N 1 1 324.425 -1.243 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001421983786 926778076 /nfs/dbraw/zinc/77/80/76/926778076.db2.gz CXEWTRJVKWKESY-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C[C@H]1C(N)=O ZINC001422050682 926783686 /nfs/dbraw/zinc/78/36/86/926783686.db2.gz NNXOGOOJTCXFAZ-ORXSELOVSA-N 1 1 301.343 -2.593 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CC[S@](=O)C(F)(F)F)C[C@H]1C(N)=O ZINC001422053870 926784951 /nfs/dbraw/zinc/78/49/51/926784951.db2.gz RRQLOECWOCFQBP-XNMIDWLWSA-N 1 1 301.290 -1.227 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2cnco2)CC1 ZINC001422091869 926786407 /nfs/dbraw/zinc/78/64/07/926786407.db2.gz KKEOCPNJDMMMJL-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnnn1C ZINC001422086172 926787305 /nfs/dbraw/zinc/78/73/05/926787305.db2.gz YOPHFESNAAZOTP-SECBINFHSA-N 1 1 307.362 -1.117 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnn(C)n1 ZINC001422089835 926787610 /nfs/dbraw/zinc/78/76/10/926787610.db2.gz GYDZKWPHEJTMAF-NSHDSACASA-N 1 1 307.362 -1.268 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[NH+]2C[C@@H](CO)[C@H](CO)C2)cn1 ZINC001422098064 926791014 /nfs/dbraw/zinc/79/10/14/926791014.db2.gz CVGHEZCYTLRHGW-QWRGUYRKSA-N 1 1 318.399 -1.769 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001422123896 926791582 /nfs/dbraw/zinc/79/15/82/926791582.db2.gz FCQALOHVPRTDKV-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422167050 926792780 /nfs/dbraw/zinc/79/27/80/926792780.db2.gz ILGWUEGMUSWHKL-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422167050 926792785 /nfs/dbraw/zinc/79/27/85/926792785.db2.gz ILGWUEGMUSWHKL-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO Cc1cnn(CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001422151268 926793718 /nfs/dbraw/zinc/79/37/18/926793718.db2.gz DFTYKINHVDCBSH-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO Cc1cnn(CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001422151268 926793732 /nfs/dbraw/zinc/79/37/32/926793732.db2.gz DFTYKINHVDCBSH-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cncnc1 ZINC001422156684 926793940 /nfs/dbraw/zinc/79/39/40/926793940.db2.gz PXDFZYQWNPTTNL-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cncnc1 ZINC001422156684 926793951 /nfs/dbraw/zinc/79/39/51/926793951.db2.gz PXDFZYQWNPTTNL-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001422160758 926794880 /nfs/dbraw/zinc/79/48/80/926794880.db2.gz KZHRIBPNXPWFBE-JTQLQIEISA-N 1 1 321.399 -1.191 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001422177716 926796403 /nfs/dbraw/zinc/79/64/03/926796403.db2.gz KARYZUSXUSJHBU-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001422177716 926796420 /nfs/dbraw/zinc/79/64/20/926796420.db2.gz KARYZUSXUSJHBU-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422181324 926796511 /nfs/dbraw/zinc/79/65/11/926796511.db2.gz GTPHZSIJABJZLL-IUCAKERBSA-N 1 1 315.374 -1.529 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422181324 926796524 /nfs/dbraw/zinc/79/65/24/926796524.db2.gz GTPHZSIJABJZLL-IUCAKERBSA-N 1 1 315.374 -1.529 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001422183840 926796783 /nfs/dbraw/zinc/79/67/83/926796783.db2.gz VBQFXMHBHJXCQW-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO Cn1nccc1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422190003 926796909 /nfs/dbraw/zinc/79/69/09/926796909.db2.gz BEENJIDEKZEVGN-GFCCVEGCSA-N 1 1 321.381 -1.135 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC(CO)(NC(=O)C2CC2)CC1 ZINC001422185646 926797108 /nfs/dbraw/zinc/79/71/08/926797108.db2.gz SPUJBVHXVGOBRX-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422185230 926797377 /nfs/dbraw/zinc/79/73/77/926797377.db2.gz UPXGVOKDJQDSBZ-MRVPVSSYSA-N 1 1 312.334 -2.353 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422185230 926797393 /nfs/dbraw/zinc/79/73/93/926797393.db2.gz UPXGVOKDJQDSBZ-MRVPVSSYSA-N 1 1 312.334 -2.353 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001422182835 926797761 /nfs/dbraw/zinc/79/77/61/926797761.db2.gz HKBHICOQMGZDHW-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001422182835 926797767 /nfs/dbraw/zinc/79/77/67/926797767.db2.gz HKBHICOQMGZDHW-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@H]1CCOC1 ZINC001422196888 926798911 /nfs/dbraw/zinc/79/89/11/926798911.db2.gz ONPHNDYJXQWAMO-RYUDHWBXSA-N 1 1 311.382 -1.146 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCCS(N)(=O)=O ZINC001422196457 926799427 /nfs/dbraw/zinc/79/94/27/926799427.db2.gz QPSZMVADHARPBW-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCCS(N)(=O)=O ZINC001422196457 926799431 /nfs/dbraw/zinc/79/94/31/926799431.db2.gz QPSZMVADHARPBW-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001422195191 926799525 /nfs/dbraw/zinc/79/95/25/926799525.db2.gz LIDSXSUAJOSJLN-UHFFFAOYSA-N 1 1 323.353 -1.515 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001422200316 926799816 /nfs/dbraw/zinc/79/98/16/926799816.db2.gz SFVVTTFODZUOKN-UHFFFAOYSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001422201913 926799855 /nfs/dbraw/zinc/79/98/55/926799855.db2.gz WQPRSCOLFVMJKV-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCN(C)C(=O)Cn2cnnn2)n1 ZINC001422193615 926799987 /nfs/dbraw/zinc/79/99/87/926799987.db2.gz YKUSVQOAHRUPNL-UHFFFAOYSA-N 1 1 321.389 -1.028 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001422206986 926800315 /nfs/dbraw/zinc/80/03/15/926800315.db2.gz RQDCLGGEDUVVKE-NXEZZACHSA-N 1 1 314.386 -1.685 20 0 DAADMO COC(=O)Cn1cc(CC[N@H+](C)CCS(N)(=O)=O)nn1 ZINC001422216760 926800343 /nfs/dbraw/zinc/80/03/43/926800343.db2.gz RCFHLOJDANJVEV-UHFFFAOYSA-N 1 1 305.360 -1.786 20 0 DAADMO COC(=O)Cn1cc(CC[N@@H+](C)CCS(N)(=O)=O)nn1 ZINC001422216760 926800351 /nfs/dbraw/zinc/80/03/51/926800351.db2.gz RCFHLOJDANJVEV-UHFFFAOYSA-N 1 1 305.360 -1.786 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001422206993 926800740 /nfs/dbraw/zinc/80/07/40/926800740.db2.gz RQDCLGGEDUVVKE-UWVGGRQHSA-N 1 1 314.386 -1.685 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCOC1 ZINC001422196883 926801209 /nfs/dbraw/zinc/80/12/09/926801209.db2.gz ONPHNDYJXQWAMO-NEPJUHHUSA-N 1 1 311.382 -1.146 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422238066 926802985 /nfs/dbraw/zinc/80/29/85/926802985.db2.gz LLQZCCDQDYZRQR-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001422229099 926803337 /nfs/dbraw/zinc/80/33/37/926803337.db2.gz MLEKEPRLGAXKRK-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001422229099 926803347 /nfs/dbraw/zinc/80/33/47/926803347.db2.gz MLEKEPRLGAXKRK-QMMMGPOBSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001422246498 926803403 /nfs/dbraw/zinc/80/34/03/926803403.db2.gz RHFUQNIQMVDYKB-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001422246498 926803413 /nfs/dbraw/zinc/80/34/13/926803413.db2.gz RHFUQNIQMVDYKB-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001422246501 926803506 /nfs/dbraw/zinc/80/35/06/926803506.db2.gz RHFUQNIQMVDYKB-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001422246501 926803520 /nfs/dbraw/zinc/80/35/20/926803520.db2.gz RHFUQNIQMVDYKB-QWRGUYRKSA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001422248454 926803674 /nfs/dbraw/zinc/80/36/74/926803674.db2.gz WPCRETGLEXGUEW-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCCC(N)=O ZINC001422250720 926803716 /nfs/dbraw/zinc/80/37/16/926803716.db2.gz WVSKYSCQDWBPJX-UHFFFAOYSA-N 1 1 301.347 -1.773 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCCC(N)=O ZINC001422250720 926803728 /nfs/dbraw/zinc/80/37/28/926803728.db2.gz WVSKYSCQDWBPJX-UHFFFAOYSA-N 1 1 301.347 -1.773 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CC1CCOCC1 ZINC001422261415 926803756 /nfs/dbraw/zinc/80/37/56/926803756.db2.gz BHNPFHHDRWUOAS-LLVKDONJSA-N 1 1 312.374 -1.407 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001422263536 926806273 /nfs/dbraw/zinc/80/62/73/926806273.db2.gz IQEFELBMTSXWHE-GHMZBOCLSA-N 1 1 324.385 -1.296 20 0 DAADMO Cc1ccncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422271002 926807185 /nfs/dbraw/zinc/80/71/85/926807185.db2.gz GIYSPTGBEJYVNK-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001422273500 926808636 /nfs/dbraw/zinc/80/86/36/926808636.db2.gz GHSXLGAQOGYOHC-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nnnc1C[NH2+]CC1CC(NC(=O)CCc2c[nH]nn2)C1 ZINC001422277073 926809234 /nfs/dbraw/zinc/80/92/34/926809234.db2.gz KVYSYNLXDAJANQ-UHFFFAOYSA-N 1 1 319.373 -1.055 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnccn1 ZINC001422281966 926812645 /nfs/dbraw/zinc/81/26/45/926812645.db2.gz LKIPZGAWTHXVRL-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC001422287244 926815274 /nfs/dbraw/zinc/81/52/74/926815274.db2.gz LJLRANYYMAZJBK-SNVBAGLBSA-N 1 1 320.357 -1.378 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001422291445 926816531 /nfs/dbraw/zinc/81/65/31/926816531.db2.gz ASQNNGYXPVIUTO-SECBINFHSA-N 1 1 309.305 -1.375 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001422302658 926818476 /nfs/dbraw/zinc/81/84/76/926818476.db2.gz VFUAEYGWBICYQO-GXSJLCMTSA-N 1 1 322.373 -1.077 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001422300255 926819557 /nfs/dbraw/zinc/81/95/57/926819557.db2.gz RBNYPYNMVMJXIS-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001422314466 926824258 /nfs/dbraw/zinc/82/42/58/926824258.db2.gz NTDVFZJWNILKTK-QWRGUYRKSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C1(F)CCOCC1 ZINC001422313951 926824550 /nfs/dbraw/zinc/82/45/50/926824550.db2.gz FOZPJCUDVIYCJZ-JTQLQIEISA-N 1 1 315.349 -1.100 20 0 DAADMO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422311238 926824979 /nfs/dbraw/zinc/82/49/79/926824979.db2.gz DDYXJQGBYZSAAU-IUCAKERBSA-N 1 1 315.399 -1.158 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)on1 ZINC001422316235 926826201 /nfs/dbraw/zinc/82/62/01/926826201.db2.gz LRBYBYQYLPUCKS-SNVBAGLBSA-N 1 1 317.367 -1.406 20 0 DAADMO C[C@@H](NC(=O)CCn1cncn1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422320295 926828848 /nfs/dbraw/zinc/82/88/48/926828848.db2.gz VEBIIBFILLWPNV-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001422328940 926830279 /nfs/dbraw/zinc/83/02/79/926830279.db2.gz XFBDHTOGDOYDDY-VHSXEESVSA-N 1 1 312.374 -1.704 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422328736 926831616 /nfs/dbraw/zinc/83/16/16/926831616.db2.gz MQTMOTDIKLFDIY-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001422330803 926831762 /nfs/dbraw/zinc/83/17/62/926831762.db2.gz YZLRSHKBODYXIG-SOUVJXGZSA-N 1 1 318.414 -1.222 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)NC1CCCCC1 ZINC001422330087 926831971 /nfs/dbraw/zinc/83/19/71/926831971.db2.gz PLRRIGWGNZJPLW-LLVKDONJSA-N 1 1 324.385 -1.066 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)c1[nH]nc2c1CCC2 ZINC001422324913 926832350 /nfs/dbraw/zinc/83/23/50/926832350.db2.gz FIGCQUYSIXJPGK-LDYMZIIASA-N 1 1 307.354 -1.533 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001422330816 926832427 /nfs/dbraw/zinc/83/24/27/926832427.db2.gz YZLRSHKBODYXIG-ZNMIVQPWSA-N 1 1 318.414 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001422333731 926833814 /nfs/dbraw/zinc/83/38/14/926833814.db2.gz VSTYFVUWAXXSDF-BDAKNGLRSA-N 1 1 309.370 -1.287 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001422335418 926834284 /nfs/dbraw/zinc/83/42/84/926834284.db2.gz UWNUYGUIAKAQFB-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422331419 926834999 /nfs/dbraw/zinc/83/49/99/926834999.db2.gz MRMANJYFWIJVPG-IUCAKERBSA-N 1 1 307.372 -1.726 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422331419 926835008 /nfs/dbraw/zinc/83/50/08/926835008.db2.gz MRMANJYFWIJVPG-IUCAKERBSA-N 1 1 307.372 -1.726 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001422335556 926835243 /nfs/dbraw/zinc/83/52/43/926835243.db2.gz UWNUYGUIAKAQFB-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001422334367 926835670 /nfs/dbraw/zinc/83/56/70/926835670.db2.gz WUVWYAZBAHWEAQ-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001422334374 926836050 /nfs/dbraw/zinc/83/60/50/926836050.db2.gz WUVWYAZBAHWEAQ-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)C2(O)CCOCC2)C[C@H]1CS(N)(=O)=O ZINC001422332407 926836109 /nfs/dbraw/zinc/83/61/09/926836109.db2.gz USSCVBYJRGODBL-GRYCIOLGSA-N 1 1 322.427 -1.255 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)C1=O ZINC001422337403 926837185 /nfs/dbraw/zinc/83/71/85/926837185.db2.gz WHAAXUOXKBYMDE-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001422336120 926837930 /nfs/dbraw/zinc/83/79/30/926837930.db2.gz ANRPIJWXBGNSST-DTWKUNHWSA-N 1 1 319.387 -1.008 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001422339401 926838067 /nfs/dbraw/zinc/83/80/67/926838067.db2.gz BZEVSQRNIFTGPO-MRVPVSSYSA-N 1 1 310.314 -1.302 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nc1 ZINC001422342691 926838205 /nfs/dbraw/zinc/83/82/05/926838205.db2.gz OVSRCZMMTAHXGH-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001422341670 926839439 /nfs/dbraw/zinc/83/94/39/926839439.db2.gz NQFGPNBYOMJVFZ-SKDRFNHKSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001422348895 926840773 /nfs/dbraw/zinc/84/07/73/926840773.db2.gz ZRRMYFQXKOKXRW-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001422349544 926843990 /nfs/dbraw/zinc/84/39/90/926843990.db2.gz KVZKAPJVGLTCFH-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)c(=O)c2)[nH]1 ZINC001422351899 926844108 /nfs/dbraw/zinc/84/41/08/926844108.db2.gz QBYBPJOPNIPNQG-NSHDSACASA-N 1 1 320.353 -1.308 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001422360882 926847094 /nfs/dbraw/zinc/84/70/94/926847094.db2.gz LHQFTXWUIVLRHK-RYUDHWBXSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001422359805 926848529 /nfs/dbraw/zinc/84/85/29/926848529.db2.gz XXKFSLMSMWHVGV-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001422355630 926850089 /nfs/dbraw/zinc/85/00/89/926850089.db2.gz TXERJAVZEIZSNN-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001422363222 926851151 /nfs/dbraw/zinc/85/11/51/926851151.db2.gz SBYPFHFTPIRPKM-UTUOFQBUSA-N 1 1 324.385 -1.453 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cccc(=O)n2C)[nH]1 ZINC001422364561 926851382 /nfs/dbraw/zinc/85/13/82/926851382.db2.gz KBZBEZKEPUFADQ-JTQLQIEISA-N 1 1 320.353 -1.308 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nn1 ZINC001422368366 926852285 /nfs/dbraw/zinc/85/22/85/926852285.db2.gz HHYMXVXKCNMKQH-PWSUYJOCSA-N 1 1 324.385 -1.467 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373393 926856690 /nfs/dbraw/zinc/85/66/90/926856690.db2.gz BXSKDZMPQZKKDC-CMPLNLGQSA-N 1 1 311.386 -1.257 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)c[nH]1 ZINC001422391505 926858072 /nfs/dbraw/zinc/85/80/72/926858072.db2.gz YUSJESCSNRXMHB-NSHDSACASA-N 1 1 320.353 -1.308 20 0 DAADMO C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422382463 926859572 /nfs/dbraw/zinc/85/95/72/926859572.db2.gz LLDQFYHZIUQDTL-UWVGGRQHSA-N 1 1 321.389 -1.046 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422384810 926860227 /nfs/dbraw/zinc/86/02/27/926860227.db2.gz WBNOZKBCNOGTOB-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422382455 926860575 /nfs/dbraw/zinc/86/05/75/926860575.db2.gz LLDQFYHZIUQDTL-NXEZZACHSA-N 1 1 321.389 -1.046 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C)c1nncn1C ZINC001422397073 926861757 /nfs/dbraw/zinc/86/17/57/926861757.db2.gz KCBCXWYTKDDQQT-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001422402256 926862873 /nfs/dbraw/zinc/86/28/73/926862873.db2.gz DEFLTOWMDSPKIE-SCZZXKLOSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001422394018 926863207 /nfs/dbraw/zinc/86/32/07/926863207.db2.gz FZKBCNCDUNVVGO-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001422399833 926863617 /nfs/dbraw/zinc/86/36/17/926863617.db2.gz BZRRTJZCZVWDNW-QWRGUYRKSA-N 1 1 323.353 -1.355 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422401747 926863665 /nfs/dbraw/zinc/86/36/65/926863665.db2.gz GQDLDKZIAAMYAE-SNVBAGLBSA-N 1 1 322.373 -1.641 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001422409641 926864819 /nfs/dbraw/zinc/86/48/19/926864819.db2.gz RCASEDAVKZSACN-ZJUUUORDSA-N 1 1 322.369 -1.473 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001422409637 926867214 /nfs/dbraw/zinc/86/72/14/926867214.db2.gz RCASEDAVKZSACN-UWVGGRQHSA-N 1 1 322.369 -1.473 20 0 DAADMO Cn1cc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001422406129 926867982 /nfs/dbraw/zinc/86/79/82/926867982.db2.gz XDAAOCBUPQOCMG-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)no1 ZINC001422414343 926868695 /nfs/dbraw/zinc/86/86/95/926868695.db2.gz ZAQDTQFJASAPAN-LURJTMIESA-N 1 1 315.721 -1.268 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nocc1C ZINC001422420295 926870103 /nfs/dbraw/zinc/87/01/03/926870103.db2.gz OMQCMIGBERQVCX-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001422410541 926870812 /nfs/dbraw/zinc/87/08/12/926870812.db2.gz NYPXSLZXKZINCW-LLVKDONJSA-N 1 1 322.373 -1.283 20 0 DAADMO CNS(=O)(=O)CC[NH+]1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001422445053 926871892 /nfs/dbraw/zinc/87/18/92/926871892.db2.gz KQJUJXXDHIFRQA-RKDXNWHRSA-N 1 1 308.356 -1.570 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ncnn1C ZINC001422436173 926872111 /nfs/dbraw/zinc/87/21/11/926872111.db2.gz NJPGJZNPGNLSJV-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1nnn(C)n1 ZINC001422426555 926873881 /nfs/dbraw/zinc/87/38/81/926873881.db2.gz MAUKUTNKGPJLHV-UHFFFAOYSA-N 1 1 311.390 -1.080 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001422489792 926875652 /nfs/dbraw/zinc/87/56/52/926875652.db2.gz KDMFLKCEBQGRAX-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001422482345 926876940 /nfs/dbraw/zinc/87/69/40/926876940.db2.gz OWFOJGVWXXOGMY-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001422482345 926876950 /nfs/dbraw/zinc/87/69/50/926876950.db2.gz OWFOJGVWXXOGMY-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)c1cnns1)[N@H+](C)CC(=O)NC(N)=O ZINC001422473424 926877632 /nfs/dbraw/zinc/87/76/32/926877632.db2.gz JHPULDIMSWXUCD-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](CNC(=O)c1cnns1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422473424 926877646 /nfs/dbraw/zinc/87/76/46/926877646.db2.gz JHPULDIMSWXUCD-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO CN(CC(C)(C)C[NH2+]Cc1nnn(C)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001422462078 926877896 /nfs/dbraw/zinc/87/78/96/926877896.db2.gz XNQMBINLEUMMCX-VIFPVBQESA-N 1 1 324.389 -1.534 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001422483301 926878157 /nfs/dbraw/zinc/87/81/57/926878157.db2.gz OWFOJGVWXXOGMY-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001422483301 926878168 /nfs/dbraw/zinc/87/81/68/926878168.db2.gz OWFOJGVWXXOGMY-PWSUYJOCSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001422473245 926878397 /nfs/dbraw/zinc/87/83/97/926878397.db2.gz INMKARXJHMIQQO-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001422473245 926878408 /nfs/dbraw/zinc/87/84/08/926878408.db2.gz INMKARXJHMIQQO-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422517489 926879061 /nfs/dbraw/zinc/87/90/61/926879061.db2.gz DPXILMJMNQKEKU-MRVPVSSYSA-N 1 1 309.330 -1.432 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cnnn1C ZINC001422497337 926879251 /nfs/dbraw/zinc/87/92/51/926879251.db2.gz HWOGIIGLEXBUMG-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422522461 926881755 /nfs/dbraw/zinc/88/17/55/926881755.db2.gz NWTZQLICUMSLHP-JTQLQIEISA-N 1 1 321.381 -1.095 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422522461 926881771 /nfs/dbraw/zinc/88/17/71/926881771.db2.gz NWTZQLICUMSLHP-JTQLQIEISA-N 1 1 321.381 -1.095 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001422541710 926882897 /nfs/dbraw/zinc/88/28/97/926882897.db2.gz VWCLBUCOIQSIFZ-RKDXNWHRSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001422541710 926882912 /nfs/dbraw/zinc/88/29/12/926882912.db2.gz VWCLBUCOIQSIFZ-RKDXNWHRSA-N 1 1 315.374 -2.451 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001422533677 926883729 /nfs/dbraw/zinc/88/37/29/926883729.db2.gz YXZXQFCQGDEDMS-WDEREUQCSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001422533677 926883746 /nfs/dbraw/zinc/88/37/46/926883746.db2.gz YXZXQFCQGDEDMS-WDEREUQCSA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422526218 926883780 /nfs/dbraw/zinc/88/37/80/926883780.db2.gz XOSQKANUPBKQLX-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001422541708 926884031 /nfs/dbraw/zinc/88/40/31/926884031.db2.gz VWCLBUCOIQSIFZ-IUCAKERBSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422541708 926884046 /nfs/dbraw/zinc/88/40/46/926884046.db2.gz VWCLBUCOIQSIFZ-IUCAKERBSA-N 1 1 315.374 -2.451 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001422539380 926884812 /nfs/dbraw/zinc/88/48/12/926884812.db2.gz LETHNGAHTIBZOC-MRVPVSSYSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001422553666 926884867 /nfs/dbraw/zinc/88/48/67/926884867.db2.gz RKZATWBCYIRFAI-GXSJLCMTSA-N 1 1 311.386 -1.370 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001422556245 926884906 /nfs/dbraw/zinc/88/49/06/926884906.db2.gz XQQITCBXGQITDU-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001422556245 926884914 /nfs/dbraw/zinc/88/49/14/926884914.db2.gz XQQITCBXGQITDU-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001422535299 926885366 /nfs/dbraw/zinc/88/53/66/926885366.db2.gz AMMLDVNRASJZPB-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422561610 926887708 /nfs/dbraw/zinc/88/77/08/926887708.db2.gz SJODNPMXVBCBJB-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422561610 926887721 /nfs/dbraw/zinc/88/77/21/926887721.db2.gz SJODNPMXVBCBJB-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nncs1 ZINC001422605542 926890068 /nfs/dbraw/zinc/89/00/68/926890068.db2.gz QHRSNUXJGOANFL-SSDOTTSWSA-N 1 1 307.401 -1.318 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001422600920 926891136 /nfs/dbraw/zinc/89/11/36/926891136.db2.gz NMPSJLZBEWHWNH-GHMZBOCLSA-N 1 1 310.402 -1.003 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001422601844 926892680 /nfs/dbraw/zinc/89/26/80/926892680.db2.gz HTYGSYPZEMEFSX-IUCAKERBSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001422601844 926892686 /nfs/dbraw/zinc/89/26/86/926892686.db2.gz HTYGSYPZEMEFSX-IUCAKERBSA-N 1 1 312.374 -1.799 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCCNC1=O ZINC001422617894 926894799 /nfs/dbraw/zinc/89/47/99/926894799.db2.gz VVIDONGTRXWLSQ-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[N@@H+](CC(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001422627556 926896351 /nfs/dbraw/zinc/89/63/51/926896351.db2.gz FUWCDOGGYYGSBP-CYBMUJFWSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001422631237 926896927 /nfs/dbraw/zinc/89/69/27/926896927.db2.gz ANHOHYVZKRBPTA-NEPJUHHUSA-N 1 1 312.414 -1.103 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001422628685 926897127 /nfs/dbraw/zinc/89/71/27/926897127.db2.gz AYGONGNLIQHGRC-VHSXEESVSA-N 1 1 309.374 -1.044 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CN1CCOCC1 ZINC001422634281 926897978 /nfs/dbraw/zinc/89/79/78/926897978.db2.gz OXCZHMOORZNQLT-NSHDSACASA-N 1 1 323.401 -1.066 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001422629257 926898495 /nfs/dbraw/zinc/89/84/95/926898495.db2.gz AXKLPJMJVJAUGX-UHFFFAOYSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001422651299 926903280 /nfs/dbraw/zinc/90/32/80/926903280.db2.gz PRWMXPQHFSJCLQ-VIFPVBQESA-N 1 1 322.325 -1.776 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422649637 926903793 /nfs/dbraw/zinc/90/37/93/926903793.db2.gz ZMBZRXQZJAPCKA-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN1CCOCC1=O ZINC001422659477 926905104 /nfs/dbraw/zinc/90/51/04/926905104.db2.gz HLGQANINYOZJRY-NSHDSACASA-N 1 1 307.354 -1.070 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001422665238 926905207 /nfs/dbraw/zinc/90/52/07/926905207.db2.gz AVWOGHHTKBROGD-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422655962 926905568 /nfs/dbraw/zinc/90/55/68/926905568.db2.gz ZBDFUQKXMDJMCG-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@@H](O)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422660218 926905660 /nfs/dbraw/zinc/90/56/60/926905660.db2.gz WOVRVJIARDACJO-OLZOCXBDSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCOCC1=O ZINC001422661947 926905835 /nfs/dbraw/zinc/90/58/35/926905835.db2.gz RXLRLYSTAGMYQI-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001422668841 926905984 /nfs/dbraw/zinc/90/59/84/926905984.db2.gz ZRJUOCULIUKWKL-QMMMGPOBSA-N 1 1 321.341 -1.330 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001422656294 926906085 /nfs/dbraw/zinc/90/60/85/926906085.db2.gz MBUYEOFQZJDQIZ-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H](NC(=O)CCn1cncn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422719803 926908882 /nfs/dbraw/zinc/90/88/82/926908882.db2.gz YBJDDHXHQHCQFL-JQWIXIFHSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H](NC(=O)CCn1cncn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422719821 926909041 /nfs/dbraw/zinc/90/90/41/926909041.db2.gz YBJDDHXHQHCQFL-PWSUYJOCSA-N 1 1 306.370 -1.007 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001422738040 926910312 /nfs/dbraw/zinc/91/03/12/926910312.db2.gz TXAUJXKBDJGESF-DTWKUNHWSA-N 1 1 320.415 -1.764 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422732553 926911173 /nfs/dbraw/zinc/91/11/73/926911173.db2.gz QQOJSTTUPGISIO-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422743670 926912442 /nfs/dbraw/zinc/91/24/42/926912442.db2.gz KGFQQGCSFWQWCH-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001422738033 926912754 /nfs/dbraw/zinc/91/27/54/926912754.db2.gz TXAUJXKBDJGESF-BDAKNGLRSA-N 1 1 320.415 -1.764 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nncn1C ZINC001422747753 926913769 /nfs/dbraw/zinc/91/37/69/926913769.db2.gz SNWVCBBNHFRUNE-DTWKUNHWSA-N 1 1 318.403 -1.480 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001422753827 926914670 /nfs/dbraw/zinc/91/46/70/926914670.db2.gz PYAZYGYBGIJEKM-KOLCDFICSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001422751349 926914696 /nfs/dbraw/zinc/91/46/96/926914696.db2.gz IMBHPSOZSACEGD-NXEZZACHSA-N 1 1 311.386 -1.431 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001422793005 926917257 /nfs/dbraw/zinc/91/72/57/926917257.db2.gz SURNIXJRAUJINR-SNVBAGLBSA-N 1 1 307.416 -1.303 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001422804406 926917633 /nfs/dbraw/zinc/91/76/33/926917633.db2.gz BTTDJTALSJQEHV-CHWFTXMASA-N 1 1 310.354 -1.475 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001422798877 926917825 /nfs/dbraw/zinc/91/78/25/926917825.db2.gz DKKLZVOKKLVYFW-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001422798877 926917835 /nfs/dbraw/zinc/91/78/35/926917835.db2.gz DKKLZVOKKLVYFW-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001422792676 926918166 /nfs/dbraw/zinc/91/81/66/926918166.db2.gz MKRMMWSBQMNUIW-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001422792676 926918174 /nfs/dbraw/zinc/91/81/74/926918174.db2.gz MKRMMWSBQMNUIW-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820204 926919476 /nfs/dbraw/zinc/91/94/76/926919476.db2.gz AQPAORIVQUCOCP-ZJUUUORDSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820204 926919486 /nfs/dbraw/zinc/91/94/86/926919486.db2.gz AQPAORIVQUCOCP-ZJUUUORDSA-N 1 1 312.374 -1.847 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001422830169 926920267 /nfs/dbraw/zinc/92/02/67/926920267.db2.gz CWNFRLIDCAJJFU-RTCCRHLQSA-N 1 1 310.354 -1.785 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422829032 926920417 /nfs/dbraw/zinc/92/04/17/926920417.db2.gz ORJSQQHOHPTPLI-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCOC1 ZINC001422841610 926921873 /nfs/dbraw/zinc/92/18/73/926921873.db2.gz NUQWZFDKROITSM-YYHMBLRTSA-N 1 1 324.381 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(=O)NC)[C@@H]2C1 ZINC001422853878 926921938 /nfs/dbraw/zinc/92/19/38/926921938.db2.gz XYZNYBJXEDTEQG-RTCCRHLQSA-N 1 1 311.386 -1.655 20 0 DAADMO Cc1cn2nc(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001422840723 926922781 /nfs/dbraw/zinc/92/27/81/926922781.db2.gz AJAWOZGSBJKWRH-MRVPVSSYSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001422840723 926922790 /nfs/dbraw/zinc/92/27/90/926922790.db2.gz AJAWOZGSBJKWRH-MRVPVSSYSA-N 1 1 320.353 -1.134 20 0 DAADMO CCC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847911 926923027 /nfs/dbraw/zinc/92/30/27/926923027.db2.gz NBOBWWMWKUXMBJ-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847911 926923032 /nfs/dbraw/zinc/92/30/32/926923032.db2.gz NBOBWWMWKUXMBJ-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422868725 926924094 /nfs/dbraw/zinc/92/40/94/926924094.db2.gz ORTVTIOFXMDJMD-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422855036 926925076 /nfs/dbraw/zinc/92/50/76/926925076.db2.gz JEESOPHFPWZUCZ-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001422855036 926925089 /nfs/dbraw/zinc/92/50/89/926925089.db2.gz JEESOPHFPWZUCZ-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422874462 926925357 /nfs/dbraw/zinc/92/53/57/926925357.db2.gz GBWIJQDOEPRVHT-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001422867274 926925384 /nfs/dbraw/zinc/92/53/84/926925384.db2.gz KVLIIQIWFIXFLR-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001422867274 926925390 /nfs/dbraw/zinc/92/53/90/926925390.db2.gz KVLIIQIWFIXFLR-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001422866247 926925721 /nfs/dbraw/zinc/92/57/21/926925721.db2.gz WPOZVCQZLWVWAC-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)CN(C)CC(=O)NC(N)=O ZINC001422917648 926927202 /nfs/dbraw/zinc/92/72/02/926927202.db2.gz MREGILQMPCCFEW-SNVBAGLBSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914987 926927868 /nfs/dbraw/zinc/92/78/68/926927868.db2.gz MBQGRAPVABZWIL-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914987 926927877 /nfs/dbraw/zinc/92/78/77/926927877.db2.gz MBQGRAPVABZWIL-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001422893113 926928147 /nfs/dbraw/zinc/92/81/47/926928147.db2.gz RCNMABZDNHOYMT-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001422893113 926928161 /nfs/dbraw/zinc/92/81/61/926928161.db2.gz RCNMABZDNHOYMT-UWVGGRQHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001422914384 926928194 /nfs/dbraw/zinc/92/81/94/926928194.db2.gz KLDWBUUAKMFKKN-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001422914384 926928205 /nfs/dbraw/zinc/92/82/05/926928205.db2.gz KLDWBUUAKMFKKN-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1C(N)=O ZINC001422913126 926928255 /nfs/dbraw/zinc/92/82/55/926928255.db2.gz ABRJBQIIAQXJTI-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccnc1C(N)=O ZINC001422913126 926928262 /nfs/dbraw/zinc/92/82/62/926928262.db2.gz ABRJBQIIAQXJTI-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001422914220 926928824 /nfs/dbraw/zinc/92/88/24/926928824.db2.gz DEJPUVFIHYEXMT-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001422914220 926928832 /nfs/dbraw/zinc/92/88/32/926928832.db2.gz DEJPUVFIHYEXMT-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914980 926929022 /nfs/dbraw/zinc/92/90/22/926929022.db2.gz MBQGRAPVABZWIL-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914980 926929040 /nfs/dbraw/zinc/92/90/40/926929040.db2.gz MBQGRAPVABZWIL-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913845 926929254 /nfs/dbraw/zinc/92/92/54/926929254.db2.gz IPLOGDXJFRLHCH-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913845 926929271 /nfs/dbraw/zinc/92/92/71/926929271.db2.gz IPLOGDXJFRLHCH-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)Cc1cncn1C ZINC001422933606 926931051 /nfs/dbraw/zinc/93/10/51/926931051.db2.gz YVYJBOFCSDAXDJ-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cncn1C ZINC001422933606 926931059 /nfs/dbraw/zinc/93/10/59/926931059.db2.gz YVYJBOFCSDAXDJ-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO NC(=O)Cn1cc(CNC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)nn1 ZINC001422967522 926932822 /nfs/dbraw/zinc/93/28/22/926932822.db2.gz MNBCUXVSVPDCKI-GXTWGEPZSA-N 1 1 324.385 -1.921 20 0 DAADMO NC(=O)Cn1cc(CNC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)nn1 ZINC001422967522 926932828 /nfs/dbraw/zinc/93/28/28/926932828.db2.gz MNBCUXVSVPDCKI-GXTWGEPZSA-N 1 1 324.385 -1.921 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)nn1 ZINC001422967522 926932839 /nfs/dbraw/zinc/93/28/39/926932839.db2.gz MNBCUXVSVPDCKI-GXTWGEPZSA-N 1 1 324.385 -1.921 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001422972552 926933305 /nfs/dbraw/zinc/93/33/05/926933305.db2.gz LLXHOBKSWFAMES-VIFPVBQESA-N 1 1 316.387 -1.761 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001423022445 926935618 /nfs/dbraw/zinc/93/56/18/926935618.db2.gz HXDMGKWLJDZJJZ-YGRLFVJLSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001423018586 926935871 /nfs/dbraw/zinc/93/58/71/926935871.db2.gz CPUUAWCASKRNSP-WDEREUQCSA-N 1 1 307.358 -1.519 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423120628 926948166 /nfs/dbraw/zinc/94/81/66/926948166.db2.gz VVEIMLCSZHGZKV-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423120628 926948175 /nfs/dbraw/zinc/94/81/75/926948175.db2.gz VVEIMLCSZHGZKV-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCOC2)c1=O ZINC001423106665 926948666 /nfs/dbraw/zinc/94/86/66/926948666.db2.gz HYHGYSHTPXECPH-VXGBXAGGSA-N 1 1 309.370 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001423123170 926949407 /nfs/dbraw/zinc/94/94/07/926949407.db2.gz YHPQSKBQRQFZHO-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001423123163 926949795 /nfs/dbraw/zinc/94/97/95/926949795.db2.gz YHPQSKBQRQFZHO-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001423129109 926952641 /nfs/dbraw/zinc/95/26/41/926952641.db2.gz VSTJFPSESDGWCH-VHSXEESVSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001423132183 926953065 /nfs/dbraw/zinc/95/30/65/926953065.db2.gz VSTJFPSESDGWCH-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1nnnn1C ZINC001423169310 926954464 /nfs/dbraw/zinc/95/44/64/926954464.db2.gz QCWLPNNJYYPZKG-MRVPVSSYSA-N 1 1 320.357 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1CC(=O)NC(=O)NC ZINC001423163522 926954636 /nfs/dbraw/zinc/95/46/36/926954636.db2.gz SKFQDOXNEJWZRU-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001423164089 926954913 /nfs/dbraw/zinc/95/49/13/926954913.db2.gz KJXHJHIRDLQUNX-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1nnnn1C ZINC001423169316 926955676 /nfs/dbraw/zinc/95/56/76/926955676.db2.gz QCWLPNNJYYPZKG-QMMMGPOBSA-N 1 1 320.357 -1.113 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001423180019 926957720 /nfs/dbraw/zinc/95/77/20/926957720.db2.gz MINXJMRLTZJJPP-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001423180348 926959105 /nfs/dbraw/zinc/95/91/05/926959105.db2.gz FFWBHBOIXRMFBL-SNVBAGLBSA-N 1 1 313.358 -1.620 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001423192174 926960085 /nfs/dbraw/zinc/96/00/85/926960085.db2.gz JPZVWSFCJVNJDP-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ncc(CNC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001423191961 926961726 /nfs/dbraw/zinc/96/17/26/926961726.db2.gz IWIXQYYWXWBNMO-GFCCVEGCSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1ncc(CNC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001423191961 926961735 /nfs/dbraw/zinc/96/17/35/926961735.db2.gz IWIXQYYWXWBNMO-GFCCVEGCSA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccn[nH]1)N1CCNC(=O)C1 ZINC001423191045 926962162 /nfs/dbraw/zinc/96/21/62/926962162.db2.gz AKWCHFUANHTEOA-VIFPVBQESA-N 1 1 324.341 -2.952 20 0 DAADMO Cc1noc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001423199971 926963481 /nfs/dbraw/zinc/96/34/81/926963481.db2.gz ZAEDVZVHJLUBPH-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001423199971 926963490 /nfs/dbraw/zinc/96/34/90/926963490.db2.gz ZAEDVZVHJLUBPH-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO CC(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001423200936 926964041 /nfs/dbraw/zinc/96/40/41/926964041.db2.gz NYTMFJHRSZWTKJ-GHMZBOCLSA-N 1 1 316.402 -1.698 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001423199507 926964273 /nfs/dbraw/zinc/96/42/73/926964273.db2.gz XJGHPHPFMQATLI-VXGBXAGGSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001423199507 926964287 /nfs/dbraw/zinc/96/42/87/926964287.db2.gz XJGHPHPFMQATLI-VXGBXAGGSA-N 1 1 312.370 -1.120 20 0 DAADMO CC(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001423200937 926965405 /nfs/dbraw/zinc/96/54/05/926965405.db2.gz NYTMFJHRSZWTKJ-MNOVXSKESA-N 1 1 316.402 -1.698 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001423206910 926969727 /nfs/dbraw/zinc/96/97/27/926969727.db2.gz LVDCCYAXEUOXDW-SFYZADRCSA-N 1 1 315.355 -1.478 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423214879 926973044 /nfs/dbraw/zinc/97/30/44/926973044.db2.gz GABAIDKTJRBVQE-WDEREUQCSA-N 1 1 324.385 -1.581 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001423211495 926973777 /nfs/dbraw/zinc/97/37/77/926973777.db2.gz FPBJTXANSXWBOW-PWSUYJOCSA-N 1 1 309.370 -1.487 20 0 DAADMO CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001423214587 926974082 /nfs/dbraw/zinc/97/40/82/926974082.db2.gz CVLJVMKIYUFPNZ-HBNTYKKESA-N 1 1 309.370 -1.332 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001423218688 926976639 /nfs/dbraw/zinc/97/66/39/926976639.db2.gz LWKOUQXSABIBAX-VIFPVBQESA-N 1 1 309.370 -1.617 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423217745 926976716 /nfs/dbraw/zinc/97/67/16/926976716.db2.gz IQUZUIHUVFAJMR-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2ccn(C)n2)n1 ZINC001423222207 926978944 /nfs/dbraw/zinc/97/89/44/926978944.db2.gz VMWUPBLKDIBODR-ZDUSSCGKSA-N 1 1 306.370 -1.037 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001423229529 926987491 /nfs/dbraw/zinc/98/74/91/926987491.db2.gz HSPBRGLNYGYXTJ-VIFPVBQESA-N 1 1 321.341 -1.716 20 0 DAADMO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1[nH]nc2c1CCC2 ZINC001423232824 926988833 /nfs/dbraw/zinc/98/88/33/926988833.db2.gz UIOYLCRNHVRHIZ-UWVGGRQHSA-N 1 1 312.370 -1.414 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001423233071 926990696 /nfs/dbraw/zinc/99/06/96/926990696.db2.gz OLRUNDBDTNDKCT-ZJUUUORDSA-N 1 1 310.354 -1.056 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001423244828 926995286 /nfs/dbraw/zinc/99/52/86/926995286.db2.gz YLZFMVLQTMJTDL-CMPLNLGQSA-N 1 1 309.370 -1.487 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001423254585 926998323 /nfs/dbraw/zinc/99/83/23/926998323.db2.gz FBMLJPFZXSZQRI-NXEZZACHSA-N 1 1 324.341 -2.267 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)=NC1=O ZINC001423254927 926998391 /nfs/dbraw/zinc/99/83/91/926998391.db2.gz BRSFLUIPARIKSD-JTQLQIEISA-N 1 1 308.342 -1.297 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001423252442 926998726 /nfs/dbraw/zinc/99/87/26/926998726.db2.gz RUISAWJRDSHRLD-SECBINFHSA-N 1 1 321.341 -1.500 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)=NC1=O ZINC001423254930 927000016 /nfs/dbraw/zinc/00/00/16/927000016.db2.gz BRSFLUIPARIKSD-SNVBAGLBSA-N 1 1 308.342 -1.297 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)CC1 ZINC001423256620 927000283 /nfs/dbraw/zinc/00/02/83/927000283.db2.gz HBVJRROOYYLDDW-SNVBAGLBSA-N 1 1 315.374 -2.410 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)=NC1=O ZINC001423257493 927001119 /nfs/dbraw/zinc/00/11/19/927001119.db2.gz IBLRXQXIPFLMIT-BDAKNGLRSA-N 1 1 311.342 -1.915 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)=NC1=O ZINC001423257501 927001751 /nfs/dbraw/zinc/00/17/51/927001751.db2.gz IBLRXQXIPFLMIT-RKDXNWHRSA-N 1 1 311.342 -1.915 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)CCC[NH+](C)C)C1=O ZINC001423262090 927005761 /nfs/dbraw/zinc/00/57/61/927005761.db2.gz ZXHJNGGQGOMDSD-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001423267096 927005991 /nfs/dbraw/zinc/00/59/91/927005991.db2.gz WJRHYKZZYOCXJV-SNVBAGLBSA-N 1 1 306.330 -1.811 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccns2)NC1=O ZINC001423269441 927008097 /nfs/dbraw/zinc/00/80/97/927008097.db2.gz VPEKONZMWAPYJM-WCBMZHEXSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273026 927008681 /nfs/dbraw/zinc/00/86/81/927008681.db2.gz YWDYFHZVDVAWRB-NXEZZACHSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273026 927008696 /nfs/dbraw/zinc/00/86/96/927008696.db2.gz YWDYFHZVDVAWRB-NXEZZACHSA-N 1 1 312.374 -1.581 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001423268078 927010103 /nfs/dbraw/zinc/01/01/03/927010103.db2.gz UBMBYQDOUFIZDO-KOLCDFICSA-N 1 1 309.370 -1.137 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001423282175 927012090 /nfs/dbraw/zinc/01/20/90/927012090.db2.gz JTPFLOXHJOMFAB-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001423282175 927012105 /nfs/dbraw/zinc/01/21/05/927012105.db2.gz JTPFLOXHJOMFAB-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001423277450 927012693 /nfs/dbraw/zinc/01/26/93/927012693.db2.gz PQXADNZZSXPAHT-IUCAKERBSA-N 1 1 313.383 -1.227 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccncn1 ZINC001423285335 927014099 /nfs/dbraw/zinc/01/40/99/927014099.db2.gz IJNRDGMIWTVEHC-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccncn1 ZINC001423285332 927016640 /nfs/dbraw/zinc/01/66/40/927016640.db2.gz IJNRDGMIWTVEHC-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001423292785 927019336 /nfs/dbraw/zinc/01/93/36/927019336.db2.gz VBEHCZOZKQFGMA-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO CCN1CC[C@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423293936 927019364 /nfs/dbraw/zinc/01/93/64/927019364.db2.gz JRPJKQSBTXLKNU-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001423292783 927019784 /nfs/dbraw/zinc/01/97/84/927019784.db2.gz VBEHCZOZKQFGMA-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423299025 927022873 /nfs/dbraw/zinc/02/28/73/927022873.db2.gz HAYYVOPITZYHBH-NEPJUHHUSA-N 1 1 300.403 -1.469 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301972 927022765 /nfs/dbraw/zinc/02/27/65/927022765.db2.gz UOKRHVVXEOWACS-WCQYABFASA-N 1 1 312.414 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301972 927022776 /nfs/dbraw/zinc/02/27/76/927022776.db2.gz UOKRHVVXEOWACS-WCQYABFASA-N 1 1 312.414 -1.327 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423299025 927022865 /nfs/dbraw/zinc/02/28/65/927022865.db2.gz HAYYVOPITZYHBH-NEPJUHHUSA-N 1 1 300.403 -1.469 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001423311507 927024753 /nfs/dbraw/zinc/02/47/53/927024753.db2.gz COLBFUPSTGLRMA-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1ncc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001423305983 927026097 /nfs/dbraw/zinc/02/60/97/927026097.db2.gz ZEPRJGHMBHJJAI-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001423311279 927026785 /nfs/dbraw/zinc/02/67/85/927026785.db2.gz XLXYHLQREOAZDE-CHWSQXEVSA-N 1 1 322.413 -1.072 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C[C@H]1C ZINC001423336490 927030967 /nfs/dbraw/zinc/03/09/67/927030967.db2.gz RGCGPJVAMNWWJE-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C[C@@H]1C ZINC001423336497 927033359 /nfs/dbraw/zinc/03/33/59/927033359.db2.gz RGCGPJVAMNWWJE-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ccn[nH]2)C1 ZINC001423349995 927033697 /nfs/dbraw/zinc/03/36/97/927033697.db2.gz YDJAEQQRGWMSRB-ONGXEEELSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001423345470 927033756 /nfs/dbraw/zinc/03/37/56/927033756.db2.gz GEYAHJOOUMADEY-YGRLFVJLSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001423345470 927033767 /nfs/dbraw/zinc/03/37/67/927033767.db2.gz GEYAHJOOUMADEY-YGRLFVJLSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H]1C ZINC001423331206 927034006 /nfs/dbraw/zinc/03/40/06/927034006.db2.gz ASMPIHUFORPJAI-GXSJLCMTSA-N 1 1 309.374 -1.177 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnn(C)c1 ZINC001423412080 927038764 /nfs/dbraw/zinc/03/87/64/927038764.db2.gz FSLSZRSMERWLLL-LBPRGKRZSA-N 1 1 307.358 -1.229 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001423411711 927039126 /nfs/dbraw/zinc/03/91/26/927039126.db2.gz RYUDMQBSVQZQKE-SNVBAGLBSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001423418620 927041706 /nfs/dbraw/zinc/04/17/06/927041706.db2.gz HHXRSBDTJPYTJM-VIFPVBQESA-N 1 1 308.404 -2.094 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1ccon1 ZINC001423429491 927043548 /nfs/dbraw/zinc/04/35/48/927043548.db2.gz GBRHMVZZXURJJB-NSHDSACASA-N 1 1 308.342 -1.045 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001423428015 927046442 /nfs/dbraw/zinc/04/64/42/927046442.db2.gz AVINBMGVURHDHG-PWSUYJOCSA-N 1 1 311.386 -1.162 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ncn(C)n2)n1 ZINC001423436376 927047305 /nfs/dbraw/zinc/04/73/05/927047305.db2.gz GMNLNPQQDREOAP-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)[nH]1 ZINC001423434190 927047384 /nfs/dbraw/zinc/04/73/84/927047384.db2.gz DNCOQIXANPHRSS-BDAKNGLRSA-N 1 1 312.330 -1.870 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O)n1 ZINC001423431927 927049224 /nfs/dbraw/zinc/04/92/24/927049224.db2.gz QNZLBYFHYUXZPG-GFCCVEGCSA-N 1 1 312.374 -1.657 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCNC(=O)C1 ZINC001423432721 927050103 /nfs/dbraw/zinc/05/01/03/927050103.db2.gz SCULNAQNNVGRBW-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001423434898 927050186 /nfs/dbraw/zinc/05/01/86/927050186.db2.gz ZXVVDQGYBCSMJW-SNVBAGLBSA-N 1 1 314.346 -1.920 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001423438475 927050789 /nfs/dbraw/zinc/05/07/89/927050789.db2.gz GBLFNOFKVONVTL-SECBINFHSA-N 1 1 300.319 -2.093 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001423438477 927052305 /nfs/dbraw/zinc/05/23/05/927052305.db2.gz GBLFNOFKVONVTL-VIFPVBQESA-N 1 1 300.319 -2.093 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001423447461 927057010 /nfs/dbraw/zinc/05/70/10/927057010.db2.gz YAWSYDGCFRETQX-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CCn1ccnn1 ZINC001423453345 927060261 /nfs/dbraw/zinc/06/02/61/927060261.db2.gz YWQUXTONZMRTHE-LLVKDONJSA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@]1(F)CCOC1 ZINC001423459827 927062226 /nfs/dbraw/zinc/06/22/26/927062226.db2.gz VZNPLUSDVCNRRS-JOYOIKCWSA-N 1 1 316.337 -1.752 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CNC(=O)N1 ZINC001423458749 927062811 /nfs/dbraw/zinc/06/28/11/927062811.db2.gz ULNOURNOJGHCDH-YUMQZZPRSA-N 1 1 314.371 -1.872 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)o1 ZINC001423458918 927063140 /nfs/dbraw/zinc/06/31/40/927063140.db2.gz MMZDXQSCGBYTEH-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)C[C@@H]1CCNC1=O ZINC001423463120 927063635 /nfs/dbraw/zinc/06/36/35/927063635.db2.gz MKYIAYKTZWQRIJ-NWDGAFQWSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ncc[nH]1 ZINC001423472678 927065196 /nfs/dbraw/zinc/06/51/96/927065196.db2.gz AIINAYGWQQAYHF-VIFPVBQESA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1cnc[nH]1 ZINC001423473140 927065538 /nfs/dbraw/zinc/06/55/38/927065538.db2.gz WQPQPYZQNHPFBS-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2cnnn2)co1 ZINC001423476716 927069617 /nfs/dbraw/zinc/06/96/17/927069617.db2.gz IMYATDDJEHVFEV-GFCCVEGCSA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423483064 927072706 /nfs/dbraw/zinc/07/27/06/927072706.db2.gz IWDYVAOACGVERZ-YPMHNXCESA-N 1 1 310.402 -1.324 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1)c1nncn1C ZINC001423483907 927075688 /nfs/dbraw/zinc/07/56/88/927075688.db2.gz KKWKJWVZDVZTFP-NXEZZACHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001423497276 927076646 /nfs/dbraw/zinc/07/66/46/927076646.db2.gz BMWPUINTNUCDOC-NWDGAFQWSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001423496372 927076696 /nfs/dbraw/zinc/07/66/96/927076696.db2.gz OPYYXHGZPYFZHA-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1cnnn1 ZINC001423496372 927076709 /nfs/dbraw/zinc/07/67/09/927076709.db2.gz OPYYXHGZPYFZHA-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496805 927076944 /nfs/dbraw/zinc/07/69/44/927076944.db2.gz QGQTYGMXTKGMED-QWRGUYRKSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496805 927076959 /nfs/dbraw/zinc/07/69/59/927076959.db2.gz QGQTYGMXTKGMED-QWRGUYRKSA-N 1 1 312.374 -1.707 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001423491702 927077811 /nfs/dbraw/zinc/07/78/11/927077811.db2.gz QAZSPZHWGHHFAP-NSHDSACASA-N 1 1 300.359 -2.284 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001423491702 927077824 /nfs/dbraw/zinc/07/78/24/927077824.db2.gz QAZSPZHWGHHFAP-NSHDSACASA-N 1 1 300.359 -2.284 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001423491697 927078186 /nfs/dbraw/zinc/07/81/86/927078186.db2.gz QAZSPZHWGHHFAP-LLVKDONJSA-N 1 1 300.359 -2.284 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001423491697 927078205 /nfs/dbraw/zinc/07/82/05/927078205.db2.gz QAZSPZHWGHHFAP-LLVKDONJSA-N 1 1 300.359 -2.284 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001423500313 927079832 /nfs/dbraw/zinc/07/98/32/927079832.db2.gz JHLOCDUVVRPJHV-WDEREUQCSA-N 1 1 315.374 -1.813 20 0 DAADMO CO[C@@H](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423506798 927081052 /nfs/dbraw/zinc/08/10/52/927081052.db2.gz VCCZYEHNHWURKZ-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CO[C@@H](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423506798 927081068 /nfs/dbraw/zinc/08/10/68/927081068.db2.gz VCCZYEHNHWURKZ-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001423501734 927081633 /nfs/dbraw/zinc/08/16/33/927081633.db2.gz DJTUICGUOSOCKP-STQMWFEESA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001423501729 927081718 /nfs/dbraw/zinc/08/17/18/927081718.db2.gz DJTUICGUOSOCKP-QWHCGFSZSA-N 1 1 311.382 -1.027 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001423507574 927082401 /nfs/dbraw/zinc/08/24/01/927082401.db2.gz HCQPUWODQXETIH-LLVKDONJSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001423507574 927082415 /nfs/dbraw/zinc/08/24/15/927082415.db2.gz HCQPUWODQXETIH-LLVKDONJSA-N 1 1 314.386 -1.990 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)CC1=O ZINC001423504776 927083129 /nfs/dbraw/zinc/08/31/29/927083129.db2.gz MZWOKPLAYYFOGZ-STQMWFEESA-N 1 1 315.414 -1.012 20 0 DAADMO CO[C@@H](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423506802 927083495 /nfs/dbraw/zinc/08/34/95/927083495.db2.gz VCCZYEHNHWURKZ-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CO[C@@H](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423506802 927083506 /nfs/dbraw/zinc/08/35/06/927083506.db2.gz VCCZYEHNHWURKZ-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)CC1=O ZINC001423504774 927084008 /nfs/dbraw/zinc/08/40/08/927084008.db2.gz MZWOKPLAYYFOGZ-QWHCGFSZSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001423525311 927085369 /nfs/dbraw/zinc/08/53/69/927085369.db2.gz PCLSABDYUGZXII-WPRPVWTQSA-N 1 1 313.333 -1.198 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC001423516780 927085620 /nfs/dbraw/zinc/08/56/20/927085620.db2.gz RLDBHZOEUDXZNJ-NSHDSACASA-N 1 1 324.447 -1.504 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1cccn1 ZINC001423513296 927086787 /nfs/dbraw/zinc/08/67/87/927086787.db2.gz PUAQJMKPZVIUAO-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cccn1 ZINC001423513293 927086983 /nfs/dbraw/zinc/08/69/83/927086983.db2.gz PUAQJMKPZVIUAO-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423522552 927087038 /nfs/dbraw/zinc/08/70/38/927087038.db2.gz DYFCMMABIZNQDE-ZDUSSCGKSA-N 1 1 314.430 -1.175 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001423522465 927087113 /nfs/dbraw/zinc/08/71/13/927087113.db2.gz GRCWASRFVXXRED-KBPBESRZSA-N 1 1 315.414 -1.012 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423519633 927087941 /nfs/dbraw/zinc/08/79/41/927087941.db2.gz ABRGCMFUNPLYEU-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001423525306 927088251 /nfs/dbraw/zinc/08/82/51/927088251.db2.gz PCLSABDYUGZXII-SCZZXKLOSA-N 1 1 313.333 -1.198 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423512277 927088925 /nfs/dbraw/zinc/08/89/25/927088925.db2.gz JXUBVZCBTVVTRR-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423512277 927088941 /nfs/dbraw/zinc/08/89/41/927088941.db2.gz JXUBVZCBTVVTRR-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423519643 927089715 /nfs/dbraw/zinc/08/97/15/927089715.db2.gz ABRGCMFUNPLYEU-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423537290 927091918 /nfs/dbraw/zinc/09/19/18/927091918.db2.gz KIYPQUHSXHYUKD-NXEZZACHSA-N 1 1 311.404 -2.333 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001423534913 927093740 /nfs/dbraw/zinc/09/37/40/927093740.db2.gz RUGFDKXFKHGYDY-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001423534913 927093759 /nfs/dbraw/zinc/09/37/59/927093759.db2.gz RUGFDKXFKHGYDY-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423538264 927094649 /nfs/dbraw/zinc/09/46/49/927094649.db2.gz DYEBYZWOPVZTJG-BDAKNGLRSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423538264 927094664 /nfs/dbraw/zinc/09/46/64/927094664.db2.gz DYEBYZWOPVZTJG-BDAKNGLRSA-N 1 1 301.347 -2.835 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001423552447 927095939 /nfs/dbraw/zinc/09/59/39/927095939.db2.gz XHRRZIVKEPBUSY-GHMZBOCLSA-N 1 1 311.386 -1.032 20 0 DAADMO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563502 927096517 /nfs/dbraw/zinc/09/65/17/927096517.db2.gz YPJPJNSWICSENT-NOZJJQNGSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563502 927096528 /nfs/dbraw/zinc/09/65/28/927096528.db2.gz YPJPJNSWICSENT-NOZJJQNGSA-N 1 1 323.357 -1.385 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001423558942 927097414 /nfs/dbraw/zinc/09/74/14/927097414.db2.gz DCSZSHGFHFKLEX-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@]1(NC(=O)Cc2ncc[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423573870 927097458 /nfs/dbraw/zinc/09/74/58/927097458.db2.gz AKWTXTFPHZXCLE-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@@]1(NC(=O)Cc2ncc[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423573870 927097472 /nfs/dbraw/zinc/09/74/72/927097472.db2.gz AKWTXTFPHZXCLE-CYBMUJFWSA-N 1 1 308.342 -1.272 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2)C1 ZINC001423561034 927097548 /nfs/dbraw/zinc/09/75/48/927097548.db2.gz SWJKQFSSLHAVMH-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584927 927097935 /nfs/dbraw/zinc/09/79/35/927097935.db2.gz NQZLRKXMLZWQOG-LKFCYVNXSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584927 927097948 /nfs/dbraw/zinc/09/79/48/927097948.db2.gz NQZLRKXMLZWQOG-LKFCYVNXSA-N 1 1 323.353 -1.597 20 0 DAADMO COC[C@@H](C)C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001423565638 927098114 /nfs/dbraw/zinc/09/81/14/927098114.db2.gz SBRGIQPFTUEGMS-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO COC[C@@H](C)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423565638 927098131 /nfs/dbraw/zinc/09/81/31/927098131.db2.gz SBRGIQPFTUEGMS-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001423552456 927098546 /nfs/dbraw/zinc/09/85/46/927098546.db2.gz XHRRZIVKEPBUSY-QWRGUYRKSA-N 1 1 311.386 -1.032 20 0 DAADMO COCC[N@H+](CCNC(=O)CN(C)C(C)=O)[C@H]1CCNC1=O ZINC001423632659 927099465 /nfs/dbraw/zinc/09/94/65/927099465.db2.gz HKAKZECLJGIMQS-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](CCNC(=O)CN(C)C(C)=O)[C@H]1CCNC1=O ZINC001423632659 927099481 /nfs/dbraw/zinc/09/94/81/927099481.db2.gz HKAKZECLJGIMQS-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001423628600 927099885 /nfs/dbraw/zinc/09/98/85/927099885.db2.gz UGINSUUVOWDTPP-VHSXEESVSA-N 1 1 314.342 -1.952 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001423628600 927099901 /nfs/dbraw/zinc/09/99/01/927099901.db2.gz UGINSUUVOWDTPP-VHSXEESVSA-N 1 1 314.342 -1.952 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nnn(C)n1)[C@H]1CCNC1=O ZINC001423637055 927100408 /nfs/dbraw/zinc/10/04/08/927100408.db2.gz KJTPQTYXUAWLHU-VIFPVBQESA-N 1 1 311.346 -2.223 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H]1CCNC1=O ZINC001423637055 927100420 /nfs/dbraw/zinc/10/04/20/927100420.db2.gz KJTPQTYXUAWLHU-VIFPVBQESA-N 1 1 311.346 -2.223 20 0 DAADMO COCC[N@H+](CCNC(=O)CN(C)C(C)=O)[C@@H]1CCNC1=O ZINC001423632655 927101211 /nfs/dbraw/zinc/10/12/11/927101211.db2.gz HKAKZECLJGIMQS-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](CCNC(=O)CN(C)C(C)=O)[C@@H]1CCNC1=O ZINC001423632655 927101215 /nfs/dbraw/zinc/10/12/15/927101215.db2.gz HKAKZECLJGIMQS-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(N)=O ZINC001423639426 927101357 /nfs/dbraw/zinc/10/13/57/927101357.db2.gz DEBQEDPTAZKNAU-NEPJUHHUSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001423688784 927103315 /nfs/dbraw/zinc/10/33/15/927103315.db2.gz WEBSYNRJOGGEPV-MFKMUULPSA-N 1 1 309.374 -1.235 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CCOCC1)NC1CC1 ZINC001423712637 927106770 /nfs/dbraw/zinc/10/67/70/927106770.db2.gz KKRXIGISTFSINZ-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001423742069 927107259 /nfs/dbraw/zinc/10/72/59/927107259.db2.gz HTPPPSPKXMYHKW-AWEZNQCLSA-N 1 1 309.370 -1.476 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001423742069 927107267 /nfs/dbraw/zinc/10/72/67/927107267.db2.gz HTPPPSPKXMYHKW-AWEZNQCLSA-N 1 1 309.370 -1.476 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001423734668 927107407 /nfs/dbraw/zinc/10/74/07/927107407.db2.gz CKRCMAPYADRXRY-JTQLQIEISA-N 1 1 315.342 -1.646 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001423734668 927107415 /nfs/dbraw/zinc/10/74/15/927107415.db2.gz CKRCMAPYADRXRY-JTQLQIEISA-N 1 1 315.342 -1.646 20 0 DAADMO O=C(CCn1cccn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423737228 927107544 /nfs/dbraw/zinc/10/75/44/927107544.db2.gz BRILWGYVKGXUHK-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1cccn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423737228 927107548 /nfs/dbraw/zinc/10/75/48/927107548.db2.gz BRILWGYVKGXUHK-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CCC2)C1 ZINC001423743068 927107600 /nfs/dbraw/zinc/10/76/00/927107600.db2.gz QOOXZENXWPRPSO-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2CCC2)C1 ZINC001423743068 927107606 /nfs/dbraw/zinc/10/76/06/927107606.db2.gz QOOXZENXWPRPSO-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO CC(=O)NCC(=O)NCC1([NH2+]Cc2nncn2C)CCOCC1 ZINC001423726557 927107737 /nfs/dbraw/zinc/10/77/37/927107737.db2.gz YCJQKVBZSYYDIY-UHFFFAOYSA-N 1 1 324.385 -1.294 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001423752604 927110082 /nfs/dbraw/zinc/11/00/82/927110082.db2.gz CSFAWYXWSZDEBC-HZMBPMFUSA-N 1 1 324.385 -1.567 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001423752599 927111113 /nfs/dbraw/zinc/11/11/13/927111113.db2.gz DTYBIANTPDZQMB-YGRLFVJLSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001423752599 927111119 /nfs/dbraw/zinc/11/11/19/927111119.db2.gz DTYBIANTPDZQMB-YGRLFVJLSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)NC(=O)NC1CC1 ZINC001423745661 927111151 /nfs/dbraw/zinc/11/11/51/927111151.db2.gz UDLUGFSEFOFTFN-OAHLLOKOSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)NC(=O)NC1CC1 ZINC001423745661 927111156 /nfs/dbraw/zinc/11/11/56/927111156.db2.gz UDLUGFSEFOFTFN-OAHLLOKOSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001423753200 927111627 /nfs/dbraw/zinc/11/16/27/927111627.db2.gz CVTFEIVHIJDFBX-HZMBPMFUSA-N 1 1 301.387 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423745720 927111857 /nfs/dbraw/zinc/11/18/57/927111857.db2.gz NWFWIQDYAPSYGH-YGRLFVJLSA-N 1 1 312.370 -2.094 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423745720 927111866 /nfs/dbraw/zinc/11/18/66/927111866.db2.gz NWFWIQDYAPSYGH-YGRLFVJLSA-N 1 1 312.370 -2.094 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)COC)C1 ZINC001423748206 927112087 /nfs/dbraw/zinc/11/20/87/927112087.db2.gz SBFCKJJRNGDWTL-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)COC)C1 ZINC001423748206 927112094 /nfs/dbraw/zinc/11/20/94/927112094.db2.gz SBFCKJJRNGDWTL-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001423750617 927112111 /nfs/dbraw/zinc/11/21/11/927112111.db2.gz RXFZIEDUZGSMNK-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423752996 927112214 /nfs/dbraw/zinc/11/22/14/927112214.db2.gz CHBPYAYQOVRKRB-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423752996 927112225 /nfs/dbraw/zinc/11/22/25/927112225.db2.gz CHBPYAYQOVRKRB-NOZJJQNGSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001423746434 927112441 /nfs/dbraw/zinc/11/24/41/927112441.db2.gz OIQRYKQHLOFAGA-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001423752587 927112492 /nfs/dbraw/zinc/11/24/92/927112492.db2.gz DTYBIANTPDZQMB-HZMBPMFUSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001423752587 927112499 /nfs/dbraw/zinc/11/24/99/927112499.db2.gz DTYBIANTPDZQMB-HZMBPMFUSA-N 1 1 312.370 -2.059 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001423743603 927112514 /nfs/dbraw/zinc/11/25/14/927112514.db2.gz BEGGMHQRMBHVDE-TVQRCGJNSA-N 1 1 300.359 -1.207 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(C)=O)C1 ZINC001423743603 927112518 /nfs/dbraw/zinc/11/25/18/927112518.db2.gz BEGGMHQRMBHVDE-TVQRCGJNSA-N 1 1 300.359 -1.207 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cnn1 ZINC001423752748 927112612 /nfs/dbraw/zinc/11/26/12/927112612.db2.gz CZHNLJKADOEVGC-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cnn1 ZINC001423752748 927112621 /nfs/dbraw/zinc/11/26/21/927112621.db2.gz CZHNLJKADOEVGC-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001423757771 927113648 /nfs/dbraw/zinc/11/36/48/927113648.db2.gz XJTWUSJTFGSTAJ-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001423757771 927113658 /nfs/dbraw/zinc/11/36/58/927113658.db2.gz XJTWUSJTFGSTAJ-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001423754012 927114012 /nfs/dbraw/zinc/11/40/12/927114012.db2.gz XKDKHDRPIGRNSF-JSGCOSHPSA-N 1 1 317.386 -1.975 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001423753208 927114033 /nfs/dbraw/zinc/11/40/33/927114033.db2.gz CVTFEIVHIJDFBX-QMTHXVAHSA-N 1 1 301.387 -1.165 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423757575 927114449 /nfs/dbraw/zinc/11/44/49/927114449.db2.gz HNUSWZSJGSXBSH-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001423754019 927114661 /nfs/dbraw/zinc/11/46/61/927114661.db2.gz VASKLQRPPQAJLJ-BXKDBHETSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423760178 927115195 /nfs/dbraw/zinc/11/51/95/927115195.db2.gz PYICZADTSSIJKZ-IINYFYTJSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423760186 927116554 /nfs/dbraw/zinc/11/65/54/927116554.db2.gz PYICZADTSSIJKZ-QMTHXVAHSA-N 1 1 324.385 -1.542 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](C(C)C)C1 ZINC001423769582 927119006 /nfs/dbraw/zinc/11/90/06/927119006.db2.gz SVCLSXLNNZEGRX-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccn3nccc23)C1 ZINC001423768803 927119746 /nfs/dbraw/zinc/11/97/46/927119746.db2.gz CLARYNFLXUDFES-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccn3nccc23)C1 ZINC001423768803 927119756 /nfs/dbraw/zinc/11/97/56/927119756.db2.gz CLARYNFLXUDFES-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001423763267 927119773 /nfs/dbraw/zinc/11/97/73/927119773.db2.gz YIDKGHWPASGMLC-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001423763267 927119783 /nfs/dbraw/zinc/11/97/83/927119783.db2.gz YIDKGHWPASGMLC-AWEZNQCLSA-N 1 1 324.385 -1.643 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001423778293 927122649 /nfs/dbraw/zinc/12/26/49/927122649.db2.gz UGMRNSQWGOFGJH-XHDPSFHLSA-N 1 1 321.381 -1.183 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001423772918 927123821 /nfs/dbraw/zinc/12/38/21/927123821.db2.gz ZZYMFQFDCVVDLG-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001423772918 927123837 /nfs/dbraw/zinc/12/38/37/927123837.db2.gz ZZYMFQFDCVVDLG-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423778771 927123976 /nfs/dbraw/zinc/12/39/76/927123976.db2.gz MRYKLWMQHNRPBZ-SNVBAGLBSA-N 1 1 310.376 -3.415 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001423784800 927125865 /nfs/dbraw/zinc/12/58/65/927125865.db2.gz CVNQVZJDELYMTI-FZMZJTMJSA-N 1 1 310.354 -1.350 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001423788754 927126933 /nfs/dbraw/zinc/12/69/33/927126933.db2.gz JXRSHBWZONWKHY-BXUZGUMPSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001423788754 927126941 /nfs/dbraw/zinc/12/69/41/927126941.db2.gz JXRSHBWZONWKHY-BXUZGUMPSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)O1 ZINC001423785113 927127943 /nfs/dbraw/zinc/12/79/43/927127943.db2.gz JOEXDBJDGILQMW-WDMOLILDSA-N 1 1 317.361 -1.068 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001423786630 927127961 /nfs/dbraw/zinc/12/79/61/927127961.db2.gz AZIRUOXMZZILOU-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423799080 927129623 /nfs/dbraw/zinc/12/96/23/927129623.db2.gz HSPCKVJCCJSLFC-HNNXBMFYSA-N 1 1 323.397 -1.220 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnon1 ZINC001423797613 927129776 /nfs/dbraw/zinc/12/97/76/927129776.db2.gz VDXHJKBONFYHHP-GXFFZTMASA-N 1 1 309.326 -1.485 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001423797242 927130389 /nfs/dbraw/zinc/13/03/89/927130389.db2.gz NFGKTIXUWRXNFD-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001423797242 927130397 /nfs/dbraw/zinc/13/03/97/927130397.db2.gz NFGKTIXUWRXNFD-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cncc(OC)n2)C1 ZINC001423795309 927130570 /nfs/dbraw/zinc/13/05/70/927130570.db2.gz KUSSBEZDNRJYFT-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncc(OC)n2)C1 ZINC001423795309 927130574 /nfs/dbraw/zinc/13/05/74/927130574.db2.gz KUSSBEZDNRJYFT-AWEZNQCLSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001423797947 927130914 /nfs/dbraw/zinc/13/09/14/927130914.db2.gz KQPXRXDYKJAQSQ-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001423797947 927130920 /nfs/dbraw/zinc/13/09/20/927130920.db2.gz KQPXRXDYKJAQSQ-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423798006 927130999 /nfs/dbraw/zinc/13/09/99/927130999.db2.gz XNOXZBJHYYVLMW-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO CC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423798006 927131004 /nfs/dbraw/zinc/13/10/04/927131004.db2.gz XNOXZBJHYYVLMW-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001423793783 927131028 /nfs/dbraw/zinc/13/10/28/927131028.db2.gz IQZMEFGFZHBHJB-HZMBPMFUSA-N 1 1 312.370 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001423800651 927133922 /nfs/dbraw/zinc/13/39/22/927133922.db2.gz LYODFGUYVAWDKT-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001423800651 927133933 /nfs/dbraw/zinc/13/39/33/927133933.db2.gz LYODFGUYVAWDKT-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001423803117 927134068 /nfs/dbraw/zinc/13/40/68/927134068.db2.gz SSPZDXXGZJXZSZ-PWSUYJOCSA-N 1 1 323.390 -1.409 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]c1=O ZINC001423804205 927134276 /nfs/dbraw/zinc/13/42/76/927134276.db2.gz UTJSLQZRAAUINV-IINYFYTJSA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)c(=O)[nH]c1=O ZINC001423802036 927134461 /nfs/dbraw/zinc/13/44/61/927134461.db2.gz ZHCHGPIEYQRJJR-CYBMUJFWSA-N 1 1 314.317 -1.378 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)c(=O)[nH]c1=O ZINC001423802036 927134469 /nfs/dbraw/zinc/13/44/69/927134469.db2.gz ZHCHGPIEYQRJJR-CYBMUJFWSA-N 1 1 314.317 -1.378 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423801334 927134681 /nfs/dbraw/zinc/13/46/81/927134681.db2.gz UPJDYHCIOXXFLP-BXUZGUMPSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001423801334 927134688 /nfs/dbraw/zinc/13/46/88/927134688.db2.gz UPJDYHCIOXXFLP-BXUZGUMPSA-N 1 1 309.370 -1.063 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423801334 927134702 /nfs/dbraw/zinc/13/47/02/927134702.db2.gz UPJDYHCIOXXFLP-BXUZGUMPSA-N 1 1 309.370 -1.063 20 0 DAADMO Cn1nnc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001423803549 927136070 /nfs/dbraw/zinc/13/60/70/927136070.db2.gz UMZCGQUYBYSHAY-BXUZGUMPSA-N 1 1 323.401 -1.785 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1COCCO1 ZINC001423807007 927137395 /nfs/dbraw/zinc/13/73/95/927137395.db2.gz COVAIBQMQNAWOM-QWHCGFSZSA-N 1 1 314.382 -1.009 20 0 DAADMO Cn1ccnc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423822303 927140572 /nfs/dbraw/zinc/14/05/72/927140572.db2.gz AHHHJHTYCWJZGI-GFCCVEGCSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1ccnc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423822303 927140578 /nfs/dbraw/zinc/14/05/78/927140578.db2.gz AHHHJHTYCWJZGI-GFCCVEGCSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1ccnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423822312 927141476 /nfs/dbraw/zinc/14/14/76/927141476.db2.gz AHHHJHTYCWJZGI-LBPRGKRZSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1ccnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423822312 927141481 /nfs/dbraw/zinc/14/14/81/927141481.db2.gz AHHHJHTYCWJZGI-LBPRGKRZSA-N 1 1 323.397 -1.586 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC(=O)NCC2CC2)C1 ZINC001423826360 927142775 /nfs/dbraw/zinc/14/27/75/927142775.db2.gz HOIPQYZKQNBHRP-ZDUSSCGKSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)NCCC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423825825 927143205 /nfs/dbraw/zinc/14/32/05/927143205.db2.gz NZFOQIYTJYTVTM-LLVKDONJSA-N 1 1 314.386 -1.495 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423824687 927144313 /nfs/dbraw/zinc/14/43/13/927144313.db2.gz ZICPPWNNULGPFC-GRYCIOLGSA-N 1 1 312.414 -1.376 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001423832482 927148256 /nfs/dbraw/zinc/14/82/56/927148256.db2.gz NGCIVTCVVVXLQG-UHFFFAOYSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423831419 927148704 /nfs/dbraw/zinc/14/87/04/927148704.db2.gz DHLFHGGJJWTLAT-NWDGAFQWSA-N 1 1 312.414 -1.232 20 0 DAADMO CO[C@H](C)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423831238 927149581 /nfs/dbraw/zinc/14/95/81/927149581.db2.gz VICPJTCNBLCCDQ-NEPJUHHUSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@H](C)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423831238 927149588 /nfs/dbraw/zinc/14/95/88/927149588.db2.gz VICPJTCNBLCCDQ-NEPJUHHUSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H](C)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423831239 927149738 /nfs/dbraw/zinc/14/97/38/927149738.db2.gz VICPJTCNBLCCDQ-NWDGAFQWSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H](C)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423831239 927149746 /nfs/dbraw/zinc/14/97/46/927149746.db2.gz VICPJTCNBLCCDQ-NWDGAFQWSA-N 1 1 301.387 -1.485 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1(O)CN(CCO)C1)C2 ZINC001423866267 927158648 /nfs/dbraw/zinc/15/86/48/927158648.db2.gz APFBMSJEEPJLKI-LBPRGKRZSA-N 1 1 308.382 -1.091 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1(O)CN(CCO)C1)C2 ZINC001423866262 927159462 /nfs/dbraw/zinc/15/94/62/927159462.db2.gz APFBMSJEEPJLKI-GFCCVEGCSA-N 1 1 308.382 -1.091 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423865274 927159636 /nfs/dbraw/zinc/15/96/36/927159636.db2.gz AVNCACYIOLHPBM-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001423875873 927160467 /nfs/dbraw/zinc/16/04/67/927160467.db2.gz MRUOYTMCDMEKBZ-JTQLQIEISA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001423871174 927160807 /nfs/dbraw/zinc/16/08/07/927160807.db2.gz OHLGSFGQOGVSSU-QWHCGFSZSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001423875877 927161690 /nfs/dbraw/zinc/16/16/90/927161690.db2.gz MRUOYTMCDMEKBZ-SNVBAGLBSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001423871074 927162390 /nfs/dbraw/zinc/16/23/90/927162390.db2.gz PLTSTWWEPGZXBM-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001423885326 927165023 /nfs/dbraw/zinc/16/50/23/927165023.db2.gz ONLDBBPTPMIXBD-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001423913187 927171250 /nfs/dbraw/zinc/17/12/50/927171250.db2.gz VJFIOBWZKOFSNK-NSHDSACASA-N 1 1 309.370 -1.007 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001423908327 927171519 /nfs/dbraw/zinc/17/15/19/927171519.db2.gz SZSIEIDVXIALPL-JSGCOSHPSA-N 1 1 321.381 -1.132 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 ZINC001423922807 927174161 /nfs/dbraw/zinc/17/41/61/927174161.db2.gz ZWZOWBWILPZIGL-UHFFFAOYSA-N 1 1 321.443 -1.464 20 0 DAADMO COC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001423973040 927176870 /nfs/dbraw/zinc/17/68/70/927176870.db2.gz CQMWAGLWSDEGER-MXWKQRLJSA-N 1 1 312.370 -1.146 20 0 DAADMO C[C@H](O)C[NH2+]C1CCN(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001423995478 927178254 /nfs/dbraw/zinc/17/82/54/927178254.db2.gz MVJLQAXDLRNZRR-NSHDSACASA-N 1 1 310.402 -1.102 20 0 DAADMO C[C@@H](O)C[NH2+]C1CCN(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001423995475 927178990 /nfs/dbraw/zinc/17/89/90/927178990.db2.gz MVJLQAXDLRNZRR-LLVKDONJSA-N 1 1 310.402 -1.102 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1)S(C)(=O)=O ZINC001423990551 927179458 /nfs/dbraw/zinc/17/94/58/927179458.db2.gz WGRGWGSOGQYVED-TXEJJXNPSA-N 1 1 319.427 -1.350 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2C1 ZINC001423986672 927180270 /nfs/dbraw/zinc/18/02/70/927180270.db2.gz BJMNVFCNZYWSGC-MXWKQRLJSA-N 1 1 311.386 -1.560 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001424020300 927183284 /nfs/dbraw/zinc/18/32/84/927183284.db2.gz LATMQZDCYBMJDO-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001424020681 927183815 /nfs/dbraw/zinc/18/38/15/927183815.db2.gz WAFCSMJZGLAPFZ-GWCFXTLKSA-N 1 1 302.375 -1.631 20 0 DAADMO O=C(Cn1ncnn1)N[C@@]1(CO)CCC[N@@H+](CCCF)C1 ZINC001424024112 927186341 /nfs/dbraw/zinc/18/63/41/927186341.db2.gz SGPUKWYAUVBHGX-LBPRGKRZSA-N 1 1 300.338 -1.024 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1ncnn1)c1ncccn1 ZINC001424042668 927186430 /nfs/dbraw/zinc/18/64/30/927186430.db2.gz AOQQIDWTBHGSER-LLVKDONJSA-N 1 1 320.357 -1.365 20 0 DAADMO C[NH+](C)CCCS(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001424066758 927190657 /nfs/dbraw/zinc/19/06/57/927190657.db2.gz QXEADXFDYJXSAB-JTQLQIEISA-N 1 1 314.429 -1.593 20 0 DAADMO C[NH+](C)CCCS(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001424066760 927192138 /nfs/dbraw/zinc/19/21/38/927192138.db2.gz QXEADXFDYJXSAB-SNVBAGLBSA-N 1 1 314.429 -1.593 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)Cn1cnnn1 ZINC001424086131 927194017 /nfs/dbraw/zinc/19/40/17/927194017.db2.gz CMGAVEIJNYVXCE-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107824 927196302 /nfs/dbraw/zinc/19/63/02/927196302.db2.gz UMQFPWCTDPFEHW-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107824 927196309 /nfs/dbraw/zinc/19/63/09/927196309.db2.gz UMQFPWCTDPFEHW-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107736 927196415 /nfs/dbraw/zinc/19/64/15/927196415.db2.gz UMQFPWCTDPFEHW-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107736 927196422 /nfs/dbraw/zinc/19/64/22/927196422.db2.gz UMQFPWCTDPFEHW-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001424214147 927207764 /nfs/dbraw/zinc/20/77/64/927207764.db2.gz ODVVCPPUNPGVRL-BDAKNGLRSA-N 1 1 307.358 -1.540 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001424223383 927208022 /nfs/dbraw/zinc/20/80/22/927208022.db2.gz RMKZTYSSNUBWPX-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001424243114 927213935 /nfs/dbraw/zinc/21/39/35/927213935.db2.gz DYPRUTNCCUYKAW-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)NC)CC1 ZINC001424275935 927216459 /nfs/dbraw/zinc/21/64/59/927216459.db2.gz GIEDOVNBKCKEGW-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001424284401 927216762 /nfs/dbraw/zinc/21/67/62/927216762.db2.gz XGECZVAOWQABJA-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001424307996 927218676 /nfs/dbraw/zinc/21/86/76/927218676.db2.gz PGSIBQHPFXIDPA-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001424294970 927218993 /nfs/dbraw/zinc/21/89/93/927218993.db2.gz GCAMGERYXWMWLS-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)c1nnn(C)n1 ZINC001424310558 927219711 /nfs/dbraw/zinc/21/97/11/927219711.db2.gz PEMNWEIFRHYODI-SNVBAGLBSA-N 1 1 300.363 -1.389 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001424294651 927220432 /nfs/dbraw/zinc/22/04/32/927220432.db2.gz FBRPAPLBEZFOAT-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001424313601 927220457 /nfs/dbraw/zinc/22/04/57/927220457.db2.gz RCEQAKWBDAFUEG-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001424331130 927222766 /nfs/dbraw/zinc/22/27/66/927222766.db2.gz JFPXKFBHYMKNQQ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001424322710 927222987 /nfs/dbraw/zinc/22/29/87/927222987.db2.gz SIWXJVKLQXWISI-UHFFFAOYSA-N 1 1 311.346 -1.298 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)Cc2nnc[nH]2)C1 ZINC001424386048 927228307 /nfs/dbraw/zinc/22/83/07/927228307.db2.gz VXXOQNBUVCFGEX-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3nnc[nH]3)C2)C1 ZINC001424382791 927229845 /nfs/dbraw/zinc/22/98/45/927229845.db2.gz WZEWHHMCVQPTOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ncn[nH]3)C2)C1 ZINC001424382791 927229856 /nfs/dbraw/zinc/22/98/56/927229856.db2.gz WZEWHHMCVQPTOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3ncn[nH]3)C2)C1 ZINC001424382791 927229868 /nfs/dbraw/zinc/22/98/68/927229868.db2.gz WZEWHHMCVQPTOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3nc[nH]n3)C2)C1 ZINC001424382791 927229876 /nfs/dbraw/zinc/22/98/76/927229876.db2.gz WZEWHHMCVQPTOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3nc[nH]n3)C2)C1 ZINC001424382791 927229886 /nfs/dbraw/zinc/22/98/86/927229886.db2.gz WZEWHHMCVQPTOA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2nccn2C)C1 ZINC001424396663 927229978 /nfs/dbraw/zinc/22/99/78/927229978.db2.gz RWBVLFUITNQEIK-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO Cn1cc(C[NH2+][C@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)nn1 ZINC001424412773 927231110 /nfs/dbraw/zinc/23/11/10/927231110.db2.gz XPIVFRNARIXSCE-CYBMUJFWSA-N 1 1 320.357 -1.310 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001424464883 927234327 /nfs/dbraw/zinc/23/43/27/927234327.db2.gz WUXRMCDYOGVROB-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]([NH2+]CC1(NC(=O)CCc2c[nH]nn2)CCOCC1)C(N)=O ZINC001424426700 927235214 /nfs/dbraw/zinc/23/52/14/927235214.db2.gz FUSIFCXIUCQQBS-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO C[C@@H]([NH2+]CC1(NC(=O)CCc2cnn[nH]2)CCOCC1)C(N)=O ZINC001424426700 927235228 /nfs/dbraw/zinc/23/52/28/927235228.db2.gz FUSIFCXIUCQQBS-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC001424551988 927242225 /nfs/dbraw/zinc/24/22/25/927242225.db2.gz RJQUIHNSKUVURZ-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC001424551988 927242239 /nfs/dbraw/zinc/24/22/39/927242239.db2.gz RJQUIHNSKUVURZ-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001424562525 927245682 /nfs/dbraw/zinc/24/56/82/927245682.db2.gz LUUCHDFHOPYIQR-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001424562525 927245697 /nfs/dbraw/zinc/24/56/97/927245697.db2.gz LUUCHDFHOPYIQR-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(C)=O)CC1 ZINC001424630164 927248012 /nfs/dbraw/zinc/24/80/12/927248012.db2.gz FXKFHPULQLFYRM-SECBINFHSA-N 1 1 300.359 -1.207 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(CO)(NC(C)=O)CC1 ZINC001424635010 927248715 /nfs/dbraw/zinc/24/87/15/927248715.db2.gz XCJSMIVKFZMGQJ-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2c[nH]cn2)CC1 ZINC001424666910 927250666 /nfs/dbraw/zinc/25/06/66/927250666.db2.gz XKESGXCOUDIQDP-SNVBAGLBSA-N 1 1 309.370 -1.231 20 0 DAADMO COC[C@@H](OC)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001424662097 927251595 /nfs/dbraw/zinc/25/15/95/927251595.db2.gz QDWCVWSKDRVQLJ-GHMZBOCLSA-N 1 1 317.386 -1.535 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001424695496 927253033 /nfs/dbraw/zinc/25/30/33/927253033.db2.gz QQASKTPIRAZDJC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001424695496 927253044 /nfs/dbraw/zinc/25/30/44/927253044.db2.gz QQASKTPIRAZDJC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001424691437 927253287 /nfs/dbraw/zinc/25/32/87/927253287.db2.gz MATGODDAIPVNGC-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001424691437 927253300 /nfs/dbraw/zinc/25/33/00/927253300.db2.gz MATGODDAIPVNGC-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001424714061 927253553 /nfs/dbraw/zinc/25/35/53/927253553.db2.gz WNAAJDKYGUMABW-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001424714061 927253565 /nfs/dbraw/zinc/25/35/65/927253565.db2.gz WNAAJDKYGUMABW-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001424692790 927253769 /nfs/dbraw/zinc/25/37/69/927253769.db2.gz CMDQZPBSNOWBFF-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424738900 927256818 /nfs/dbraw/zinc/25/68/18/927256818.db2.gz BYMJNZYBTULZCJ-HIFPTAJRSA-N 1 1 312.414 -1.076 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001424815365 927257847 /nfs/dbraw/zinc/25/78/47/927257847.db2.gz JGPJRPVIMJQNSA-QWRGUYRKSA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001424815361 927258225 /nfs/dbraw/zinc/25/82/25/927258225.db2.gz JGPJRPVIMJQNSA-MNOVXSKESA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827103 927258573 /nfs/dbraw/zinc/25/85/73/927258573.db2.gz IZJKDQDJSMPGFB-IUCAKERBSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827103 927258588 /nfs/dbraw/zinc/25/85/88/927258588.db2.gz IZJKDQDJSMPGFB-IUCAKERBSA-N 1 1 318.403 -1.208 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001424906069 927261872 /nfs/dbraw/zinc/26/18/72/927261872.db2.gz ZAODCUBWMXKSPR-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001424935640 927263360 /nfs/dbraw/zinc/26/33/60/927263360.db2.gz BQTBWIJLGFBQOV-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001424935640 927263370 /nfs/dbraw/zinc/26/33/70/927263370.db2.gz BQTBWIJLGFBQOV-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CNC(=O)CO[C@H]1CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001424943876 927263629 /nfs/dbraw/zinc/26/36/29/927263629.db2.gz UTLUVUYUROIPOJ-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424943876 927263644 /nfs/dbraw/zinc/26/36/44/927263644.db2.gz UTLUVUYUROIPOJ-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCN1CCCC1=O ZINC001424945970 927264570 /nfs/dbraw/zinc/26/45/70/927264570.db2.gz UCYSKRXZRSLYOO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)NCC1CC1 ZINC001424945113 927265099 /nfs/dbraw/zinc/26/50/99/927265099.db2.gz XWGSSSPJXAXTNQ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001424945113 927265110 /nfs/dbraw/zinc/26/51/10/927265110.db2.gz XWGSSSPJXAXTNQ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)N1CCCC1 ZINC001424942499 927265414 /nfs/dbraw/zinc/26/54/14/927265414.db2.gz UIYKWVZIPQRZPY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC001424942499 927265430 /nfs/dbraw/zinc/26/54/30/927265430.db2.gz UIYKWVZIPQRZPY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424952989 927265610 /nfs/dbraw/zinc/26/56/10/927265610.db2.gz WGLNJPNVCAPPKL-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424952989 927265622 /nfs/dbraw/zinc/26/56/22/927265622.db2.gz WGLNJPNVCAPPKL-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001424935643 927265696 /nfs/dbraw/zinc/26/56/96/927265696.db2.gz BQTBWIJLGFBQOV-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001424935643 927265710 /nfs/dbraw/zinc/26/57/10/927265710.db2.gz BQTBWIJLGFBQOV-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCS1(=O)=O)[N@H+](C)CC(N)=O ZINC001424948243 927266018 /nfs/dbraw/zinc/26/60/18/927266018.db2.gz ZCGUQKMBCHAMHN-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCS1(=O)=O)[N@@H+](C)CC(N)=O ZINC001424948243 927266027 /nfs/dbraw/zinc/26/60/27/927266027.db2.gz ZCGUQKMBCHAMHN-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001424973532 927266997 /nfs/dbraw/zinc/26/69/97/927266997.db2.gz QSRWCDWCKSDMBW-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001424973532 927267009 /nfs/dbraw/zinc/26/70/09/927267009.db2.gz QSRWCDWCKSDMBW-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001424970571 927267586 /nfs/dbraw/zinc/26/75/86/927267586.db2.gz HBJWGMHQLZRRQI-SECBINFHSA-N 1 1 311.342 -1.869 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001424970571 927267601 /nfs/dbraw/zinc/26/76/01/927267601.db2.gz HBJWGMHQLZRRQI-SECBINFHSA-N 1 1 311.342 -1.869 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975317 927267661 /nfs/dbraw/zinc/26/76/61/927267661.db2.gz GVRNJVITEFTWGJ-GHMZBOCLSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975317 927267671 /nfs/dbraw/zinc/26/76/71/927267671.db2.gz GVRNJVITEFTWGJ-GHMZBOCLSA-N 1 1 313.402 -2.011 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424974952 927268209 /nfs/dbraw/zinc/26/82/09/927268209.db2.gz CVAZXFZBVGXBFI-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424974952 927268221 /nfs/dbraw/zinc/26/82/21/927268221.db2.gz CVAZXFZBVGXBFI-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccnnc1 ZINC001425019204 927269618 /nfs/dbraw/zinc/26/96/18/927269618.db2.gz KRPQOPDKQIWWQP-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnnc1 ZINC001425019204 927269634 /nfs/dbraw/zinc/26/96/34/927269634.db2.gz KRPQOPDKQIWWQP-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001425020942 927270113 /nfs/dbraw/zinc/27/01/13/927270113.db2.gz IMKFYDABHATOOI-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001425020942 927270125 /nfs/dbraw/zinc/27/01/25/927270125.db2.gz IMKFYDABHATOOI-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CCn1cccn1 ZINC001425019977 927270761 /nfs/dbraw/zinc/27/07/61/927270761.db2.gz BOHYQUDXUVDGMD-QWRGUYRKSA-N 1 1 322.369 -1.082 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccnnc1 ZINC001425019206 927272196 /nfs/dbraw/zinc/27/21/96/927272196.db2.gz KRPQOPDKQIWWQP-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccnnc1 ZINC001425019206 927272207 /nfs/dbraw/zinc/27/22/07/927272207.db2.gz KRPQOPDKQIWWQP-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001425056098 927273907 /nfs/dbraw/zinc/27/39/07/927273907.db2.gz FZNNXAWXEXIUGP-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCNC(N)=O ZINC001425056098 927273912 /nfs/dbraw/zinc/27/39/12/927273912.db2.gz FZNNXAWXEXIUGP-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)[N@H+](C)CC(N)=O ZINC001425060194 927274684 /nfs/dbraw/zinc/27/46/84/927274684.db2.gz GWDKAUQMVJSPRU-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)[N@@H+](C)CC(N)=O ZINC001425060194 927274694 /nfs/dbraw/zinc/27/46/94/927274694.db2.gz GWDKAUQMVJSPRU-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001425067945 927277388 /nfs/dbraw/zinc/27/73/88/927277388.db2.gz HJYWSTMDRPFIKD-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001425067945 927277399 /nfs/dbraw/zinc/27/73/99/927277399.db2.gz HJYWSTMDRPFIKD-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CCn1cncn1 ZINC001425063200 927278096 /nfs/dbraw/zinc/27/80/96/927278096.db2.gz DGXAEJKUWLWZFL-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001425132208 927286303 /nfs/dbraw/zinc/28/63/03/927286303.db2.gz IBYODTTVSMDDPL-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO Cn1ncc(CN2CC(CCO)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001425146359 927287944 /nfs/dbraw/zinc/28/79/44/927287944.db2.gz XWUQVGDCDQFPRL-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1ncnc1CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001425145180 927288059 /nfs/dbraw/zinc/28/80/59/927288059.db2.gz WATLLTOGSNMEGY-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425217983 927290930 /nfs/dbraw/zinc/29/09/30/927290930.db2.gz UYFIXCKAKUAOBQ-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001425214331 927291512 /nfs/dbraw/zinc/29/15/12/927291512.db2.gz QHHWMHFYTGDHTI-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425256432 927295744 /nfs/dbraw/zinc/29/57/44/927295744.db2.gz NGASEMCTGLXBGW-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001425252751 927296261 /nfs/dbraw/zinc/29/62/61/927296261.db2.gz LHRGDVZVVIOLRE-ONGXEEELSA-N 1 1 309.374 -1.236 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC001425285739 927303446 /nfs/dbraw/zinc/30/34/46/927303446.db2.gz CHEAWJUTFSBEGJ-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001425285739 927303456 /nfs/dbraw/zinc/30/34/56/927303456.db2.gz CHEAWJUTFSBEGJ-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC001425285742 927303982 /nfs/dbraw/zinc/30/39/82/927303982.db2.gz CHEAWJUTFSBEGJ-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001425285742 927303996 /nfs/dbraw/zinc/30/39/96/927303996.db2.gz CHEAWJUTFSBEGJ-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001425309787 927313678 /nfs/dbraw/zinc/31/36/78/927313678.db2.gz AWULSIDUTSASNW-RTCCRHLQSA-N 1 1 320.353 -1.227 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001425307972 927313959 /nfs/dbraw/zinc/31/39/59/927313959.db2.gz YZNJEWVBZFIFOX-CNDDSTCGSA-N 1 1 319.427 -1.182 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cncn3)[C@@H]2C1 ZINC001425312379 927315922 /nfs/dbraw/zinc/31/59/22/927315922.db2.gz DBKOBXAPGGJFIF-SYQHCUMBSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001425315958 927316526 /nfs/dbraw/zinc/31/65/26/927316526.db2.gz ALTZDCPPOFTGGN-ZDEQEGDKSA-N 1 1 313.398 -1.186 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001425315004 927317151 /nfs/dbraw/zinc/31/71/51/927317151.db2.gz IYROAHOMAHTTIS-CNDDSTCGSA-N 1 1 314.353 -1.043 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001425315004 927317170 /nfs/dbraw/zinc/31/71/70/927317170.db2.gz IYROAHOMAHTTIS-CNDDSTCGSA-N 1 1 314.353 -1.043 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001425328062 927319078 /nfs/dbraw/zinc/31/90/78/927319078.db2.gz DHUWBFCDYFQNIR-CNDDSTCGSA-N 1 1 323.397 -2.542 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1ccnn1 ZINC001425323308 927319245 /nfs/dbraw/zinc/31/92/45/927319245.db2.gz BWAOZOODNZLXLR-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnc[nH]c1=O ZINC001425327200 927319335 /nfs/dbraw/zinc/31/93/35/927319335.db2.gz LDPGLAFNYCVJKF-ONGXEEELSA-N 1 1 323.353 -1.517 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001425324788 927319445 /nfs/dbraw/zinc/31/94/45/927319445.db2.gz CMMQBMFZNZYZKE-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCn1ccnn1 ZINC001425323319 927320136 /nfs/dbraw/zinc/32/01/36/927320136.db2.gz BWAOZOODNZLXLR-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001425330090 927320942 /nfs/dbraw/zinc/32/09/42/927320942.db2.gz IFFLXWYZAIIGBI-RYUDHWBXSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001425330086 927322305 /nfs/dbraw/zinc/32/23/05/927322305.db2.gz IFFLXWYZAIIGBI-NEPJUHHUSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348807 927327331 /nfs/dbraw/zinc/32/73/31/927327331.db2.gz LRFZYOOHCSOITL-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348807 927327342 /nfs/dbraw/zinc/32/73/42/927327342.db2.gz LRFZYOOHCSOITL-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425349279 927327622 /nfs/dbraw/zinc/32/76/22/927327622.db2.gz BYUDZDZIQRILCE-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2ccon2)C1 ZINC001425349393 927327741 /nfs/dbraw/zinc/32/77/41/927327741.db2.gz HLFPKILSUHORMH-ZYHUDNBSSA-N 1 1 310.354 -1.238 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)C1=O ZINC001425349565 927327886 /nfs/dbraw/zinc/32/78/86/927327886.db2.gz JEADGTOONXXWAA-YFKTTZPYSA-N 1 1 318.381 -1.128 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nnc[nH]4)[C@@H]3C2)C1=O ZINC001425349565 927327896 /nfs/dbraw/zinc/32/78/96/927327896.db2.gz JEADGTOONXXWAA-YFKTTZPYSA-N 1 1 318.381 -1.128 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nnc[nH]4)[C@@H]3C2)C1=O ZINC001425349565 927327911 /nfs/dbraw/zinc/32/79/11/927327911.db2.gz JEADGTOONXXWAA-YFKTTZPYSA-N 1 1 318.381 -1.128 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425362406 927335699 /nfs/dbraw/zinc/33/56/99/927335699.db2.gz QVJITRAJXUWNEE-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001425365478 927337229 /nfs/dbraw/zinc/33/72/29/927337229.db2.gz DLBVBEYXCDQALP-NWDGAFQWSA-N 1 1 313.398 -1.021 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCNC(N)=O ZINC001425372762 927338588 /nfs/dbraw/zinc/33/85/88/927338588.db2.gz PTUOEJAPZFSNBJ-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2ncc[nH]2)C1 ZINC001425387939 927341436 /nfs/dbraw/zinc/34/14/36/927341436.db2.gz COPLDVWNGPVLNM-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCCC(N)=O)C1 ZINC001425387465 927341582 /nfs/dbraw/zinc/34/15/82/927341582.db2.gz BGSZJACOFCOUDY-MNOVXSKESA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC2(O)CCC2)C1 ZINC001425387671 927341906 /nfs/dbraw/zinc/34/19/06/927341906.db2.gz BZDGCXXZEWHGPK-NEPJUHHUSA-N 1 1 313.398 -1.164 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cn1nccn1 ZINC001425396648 927347817 /nfs/dbraw/zinc/34/78/17/927347817.db2.gz WKRXPZSPJIYFNK-NSHDSACASA-N 1 1 321.341 -1.923 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)COC)C1 ZINC001425399774 927348960 /nfs/dbraw/zinc/34/89/60/927348960.db2.gz FKRSIJYLROMNLT-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)COC)C1 ZINC001425399774 927348972 /nfs/dbraw/zinc/34/89/72/927348972.db2.gz FKRSIJYLROMNLT-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccnn2C)CC[N@H+]1C ZINC001425411560 927352132 /nfs/dbraw/zinc/35/21/32/927352132.db2.gz TVEQNXMYLUOTPG-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1cncnc1 ZINC001425418571 927353171 /nfs/dbraw/zinc/35/31/71/927353171.db2.gz WNZQTJQRTCVNND-CYBMUJFWSA-N 1 1 323.397 -1.047 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnn2C)CC[N@H+]1C ZINC001425411558 927353523 /nfs/dbraw/zinc/35/35/23/927353523.db2.gz TVEQNXMYLUOTPG-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)CC1 ZINC001425430638 927355137 /nfs/dbraw/zinc/35/51/37/927355137.db2.gz VRXLIUIQMORONE-LLVKDONJSA-N 1 1 324.385 -1.718 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)CC1 ZINC001425430641 927356491 /nfs/dbraw/zinc/35/64/91/927356491.db2.gz VRXLIUIQMORONE-NSHDSACASA-N 1 1 324.385 -1.718 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cncn1C ZINC001425432807 927359036 /nfs/dbraw/zinc/35/90/36/927359036.db2.gz PPNLLWZDNKOPKS-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1cnn[nH]1 ZINC001425440638 927359980 /nfs/dbraw/zinc/35/99/80/927359980.db2.gz OVYMLWYHFGLLQM-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425438757 927361743 /nfs/dbraw/zinc/36/17/43/927361743.db2.gz ABVCMFQMISYGMO-LLVKDONJSA-N 1 1 311.342 -2.079 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CNC(=O)N1 ZINC001425456396 927364953 /nfs/dbraw/zinc/36/49/53/927364953.db2.gz ZIRSWCXIGSTKHD-ZJUUUORDSA-N 1 1 324.341 -2.534 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1)C1CCC1 ZINC001425463740 927370803 /nfs/dbraw/zinc/37/08/03/927370803.db2.gz CGQHWPKIWCXMAO-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001425463740 927370813 /nfs/dbraw/zinc/37/08/13/927370813.db2.gz CGQHWPKIWCXMAO-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001425463740 927370826 /nfs/dbraw/zinc/37/08/26/927370826.db2.gz CGQHWPKIWCXMAO-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001425463740 927370839 /nfs/dbraw/zinc/37/08/39/927370839.db2.gz CGQHWPKIWCXMAO-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001425463740 927370848 /nfs/dbraw/zinc/37/08/48/927370848.db2.gz CGQHWPKIWCXMAO-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490469 927379116 /nfs/dbraw/zinc/37/91/16/927379116.db2.gz LXNXOZKIZGABTI-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490469 927379124 /nfs/dbraw/zinc/37/91/24/927379124.db2.gz LXNXOZKIZGABTI-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001425517980 927385874 /nfs/dbraw/zinc/38/58/74/927385874.db2.gz GSDFMMMCVYZMNQ-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001425517983 927386516 /nfs/dbraw/zinc/38/65/16/927386516.db2.gz GSDFMMMCVYZMNQ-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1nnnn1C ZINC001425518285 927387437 /nfs/dbraw/zinc/38/74/37/927387437.db2.gz KRUSLUSCONHACW-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001425532374 927389794 /nfs/dbraw/zinc/38/97/94/927389794.db2.gz IDERDYGAGLWUPJ-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425537919 927391597 /nfs/dbraw/zinc/39/15/97/927391597.db2.gz YYKASWGZXLOIAO-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537919 927391609 /nfs/dbraw/zinc/39/16/09/927391609.db2.gz YYKASWGZXLOIAO-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537919 927391621 /nfs/dbraw/zinc/39/16/21/927391621.db2.gz YYKASWGZXLOIAO-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001425558251 927394813 /nfs/dbraw/zinc/39/48/13/927394813.db2.gz LLIPTOPWDMGMAB-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001425558224 927394917 /nfs/dbraw/zinc/39/49/17/927394917.db2.gz LLIPTOPWDMGMAB-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CN2CCCC2=O)cn1 ZINC001425704337 927401862 /nfs/dbraw/zinc/40/18/62/927401862.db2.gz FDYTYDGGVVCBQF-CYBMUJFWSA-N 1 1 321.381 -1.026 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001425707885 927401883 /nfs/dbraw/zinc/40/18/83/927401883.db2.gz HCXNXLBFCRBPCF-LLVKDONJSA-N 1 1 313.358 -1.349 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001425715285 927405347 /nfs/dbraw/zinc/40/53/47/927405347.db2.gz REMQOHRHPPBESG-NSHDSACASA-N 1 1 309.305 -1.526 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCN1CCNC1=O ZINC001425711613 927405740 /nfs/dbraw/zinc/40/57/40/927405740.db2.gz JGXDJWJHWWPQMO-RYUDHWBXSA-N 1 1 313.402 -1.828 20 0 DAADMO Cc1ccnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001425724083 927409265 /nfs/dbraw/zinc/40/92/65/927409265.db2.gz AUYQBBBXFIZBLO-OLZOCXBDSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1ccnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001425724083 927409270 /nfs/dbraw/zinc/40/92/70/927409270.db2.gz AUYQBBBXFIZBLO-OLZOCXBDSA-N 1 1 323.397 -1.318 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)C1 ZINC001425726984 927410390 /nfs/dbraw/zinc/41/03/90/927410390.db2.gz PAVJFABZJRJNBA-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)C1 ZINC001425726984 927410398 /nfs/dbraw/zinc/41/03/98/927410398.db2.gz PAVJFABZJRJNBA-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001425729670 927410808 /nfs/dbraw/zinc/41/08/08/927410808.db2.gz IFONUFQAGJVUSK-NWDGAFQWSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001425729670 927410820 /nfs/dbraw/zinc/41/08/20/927410820.db2.gz IFONUFQAGJVUSK-NWDGAFQWSA-N 1 1 312.374 -2.288 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1snnc1C ZINC001425729932 927411931 /nfs/dbraw/zinc/41/19/31/927411931.db2.gz DRZMBVYLOULUGF-JTQLQIEISA-N 1 1 315.399 -1.108 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O)n1 ZINC001425728463 927412060 /nfs/dbraw/zinc/41/20/60/927412060.db2.gz DBHNFYGYNXAYNH-ZDUSSCGKSA-N 1 1 311.386 -1.052 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001425733455 927413067 /nfs/dbraw/zinc/41/30/67/927413067.db2.gz LBXYWKHOZFGXQS-WDEREUQCSA-N 1 1 322.373 -1.283 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001425733450 927413611 /nfs/dbraw/zinc/41/36/11/927413611.db2.gz LBXYWKHOZFGXQS-QWRGUYRKSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)n[nH]1 ZINC001425735685 927414087 /nfs/dbraw/zinc/41/40/87/927414087.db2.gz AAJZXKODMYHPMR-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001425733438 927414192 /nfs/dbraw/zinc/41/41/92/927414192.db2.gz LBXYWKHOZFGXQS-GHMZBOCLSA-N 1 1 322.373 -1.283 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001425738117 927415862 /nfs/dbraw/zinc/41/58/62/927415862.db2.gz PSYHEEZGSDTCBM-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1conc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425738228 927417169 /nfs/dbraw/zinc/41/71/69/927417169.db2.gz RRTVFYOZBKXHKR-YPMHNXCESA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1conc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425738228 927417177 /nfs/dbraw/zinc/41/71/77/927417177.db2.gz RRTVFYOZBKXHKR-YPMHNXCESA-N 1 1 312.370 -1.120 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001425742556 927418600 /nfs/dbraw/zinc/41/86/00/927418600.db2.gz VRHGONWKCAKLGM-CQSZACIVSA-N 1 1 323.397 -1.226 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001425742554 927419547 /nfs/dbraw/zinc/41/95/47/927419547.db2.gz VRHGONWKCAKLGM-AWEZNQCLSA-N 1 1 323.397 -1.226 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1conc1C ZINC001425745969 927422737 /nfs/dbraw/zinc/42/27/37/927422737.db2.gz MYBCXBBMQHPDLH-NSHDSACASA-N 1 1 313.358 -1.131 20 0 DAADMO CN(CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)C(=O)C1CC1 ZINC001425753424 927424228 /nfs/dbraw/zinc/42/42/28/927424228.db2.gz FIGDEKNVNJMINM-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001425752151 927425246 /nfs/dbraw/zinc/42/52/46/927425246.db2.gz CIZXXIRJAFCPCN-NEPJUHHUSA-N 1 1 321.381 -1.170 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001425751606 927425658 /nfs/dbraw/zinc/42/56/58/927425658.db2.gz GBPBGRSGAFXURI-GRYCIOLGSA-N 1 1 300.403 -1.519 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001425751606 927425666 /nfs/dbraw/zinc/42/56/66/927425666.db2.gz GBPBGRSGAFXURI-GRYCIOLGSA-N 1 1 300.403 -1.519 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425760351 927430283 /nfs/dbraw/zinc/43/02/83/927430283.db2.gz KZUUJHCYFVVOLW-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425760351 927430289 /nfs/dbraw/zinc/43/02/89/927430289.db2.gz KZUUJHCYFVVOLW-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO O=C(NC[C@H](CO)N[C@@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001425764166 927432873 /nfs/dbraw/zinc/43/28/73/927432873.db2.gz BIKATFUBJDUFGV-CHWSQXEVSA-N 1 1 324.425 -1.182 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001425762424 927433269 /nfs/dbraw/zinc/43/32/69/927433269.db2.gz WKZYNKICPFPTOI-UONOGXRCSA-N 1 1 324.425 -1.327 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001425763984 927433399 /nfs/dbraw/zinc/43/33/99/927433399.db2.gz YBHHYYKRDNXOMV-JTQLQIEISA-N 1 1 321.341 -1.195 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001425767049 927434776 /nfs/dbraw/zinc/43/47/76/927434776.db2.gz WIQKFWXTXRPJPK-WDEREUQCSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cnnc1CN[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425769662 927438233 /nfs/dbraw/zinc/43/82/33/927438233.db2.gz NHZYMEVJVIRPCI-VXGBXAGGSA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@H]1CCC(=O)NC1 ZINC001425774085 927439823 /nfs/dbraw/zinc/43/98/23/927439823.db2.gz AWNOEMXJCQUYTH-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001425783397 927445973 /nfs/dbraw/zinc/44/59/73/927445973.db2.gz ZBNRJLBBWJAXKO-GFCCVEGCSA-N 1 1 303.403 -1.596 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001425788125 927448072 /nfs/dbraw/zinc/44/80/72/927448072.db2.gz NSGDBHLDJZJGSN-NSHDSACASA-N 1 1 321.385 -1.252 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425796988 927450311 /nfs/dbraw/zinc/45/03/11/927450311.db2.gz KANCGPLKHGHTPZ-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001425793424 927451526 /nfs/dbraw/zinc/45/15/26/927451526.db2.gz MHRDBMPVTAOUFK-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425799211 927452961 /nfs/dbraw/zinc/45/29/61/927452961.db2.gz PMNWEKSINNZIIK-JQWIXIFHSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425799217 927453130 /nfs/dbraw/zinc/45/31/30/927453130.db2.gz PMNWEKSINNZIIK-PWSUYJOCSA-N 1 1 309.370 -1.090 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001425797715 927453652 /nfs/dbraw/zinc/45/36/52/927453652.db2.gz XLHSDHPTNCLYMY-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001425811791 927457915 /nfs/dbraw/zinc/45/79/15/927457915.db2.gz INMZAZIPYKEUBR-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001425824250 927465474 /nfs/dbraw/zinc/46/54/74/927465474.db2.gz RRPBZKOCZUBYBK-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cccn(C)c2=O)n1 ZINC001425831382 927468989 /nfs/dbraw/zinc/46/89/89/927468989.db2.gz IVUIPCRBEHYPHS-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001425840719 927470421 /nfs/dbraw/zinc/47/04/21/927470421.db2.gz VJHOSMLSLZGMIO-LLVKDONJSA-N 1 1 319.365 -1.001 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001425841108 927470611 /nfs/dbraw/zinc/47/06/11/927470611.db2.gz PKTUFNUAXBEQHM-DTWKUNHWSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841108 927470616 /nfs/dbraw/zinc/47/06/16/927470616.db2.gz PKTUFNUAXBEQHM-DTWKUNHWSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841108 927470624 /nfs/dbraw/zinc/47/06/24/927470624.db2.gz PKTUFNUAXBEQHM-DTWKUNHWSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001425841102 927471524 /nfs/dbraw/zinc/47/15/24/927471524.db2.gz PKTUFNUAXBEQHM-BDAKNGLRSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841102 927471535 /nfs/dbraw/zinc/47/15/35/927471535.db2.gz PKTUFNUAXBEQHM-BDAKNGLRSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841102 927471546 /nfs/dbraw/zinc/47/15/46/927471546.db2.gz PKTUFNUAXBEQHM-BDAKNGLRSA-N 1 1 301.347 -2.800 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001425846216 927472892 /nfs/dbraw/zinc/47/28/92/927472892.db2.gz BBDXTBJXVSUKCO-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001425844186 927472982 /nfs/dbraw/zinc/47/29/82/927472982.db2.gz BVVKODOCYACGMQ-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001425844188 927473066 /nfs/dbraw/zinc/47/30/66/927473066.db2.gz BVVKODOCYACGMQ-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)n(C)c1=O ZINC001425855233 927478443 /nfs/dbraw/zinc/47/84/43/927478443.db2.gz MDCBBRPZLFLHBN-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1conc1C ZINC001425860674 927482033 /nfs/dbraw/zinc/48/20/33/927482033.db2.gz WZCFFHSRQFYGOU-SNVBAGLBSA-N 1 1 320.371 -1.901 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1nnc[nH]1 ZINC001425867074 927484110 /nfs/dbraw/zinc/48/41/10/927484110.db2.gz PGXJAKAVAOBNKQ-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867074 927484119 /nfs/dbraw/zinc/48/41/19/927484119.db2.gz PGXJAKAVAOBNKQ-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867074 927484126 /nfs/dbraw/zinc/48/41/26/927484126.db2.gz PGXJAKAVAOBNKQ-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO C[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001425923232 927488102 /nfs/dbraw/zinc/48/81/02/927488102.db2.gz SOOQIANCTVYFMX-UWVGGRQHSA-N 1 1 315.399 -1.029 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC001425912497 927488557 /nfs/dbraw/zinc/48/85/57/927488557.db2.gz PPRGYPOIJUFBOJ-OBJOEFQTSA-N 1 1 324.385 -1.206 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001425922858 927489060 /nfs/dbraw/zinc/48/90/60/927489060.db2.gz PDTTWHAVLKFGSD-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001425908154 927489411 /nfs/dbraw/zinc/48/94/11/927489411.db2.gz CMDNZLVWTMATGD-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001425908154 927489416 /nfs/dbraw/zinc/48/94/16/927489416.db2.gz CMDNZLVWTMATGD-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001425961930 927491712 /nfs/dbraw/zinc/49/17/12/927491712.db2.gz PNQYTUFJKXBSHK-IUCAKERBSA-N 1 1 324.389 -1.407 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001425977003 927492088 /nfs/dbraw/zinc/49/20/88/927492088.db2.gz YOQAWTNYUVUBNC-LBPRGKRZSA-N 1 1 309.370 -1.136 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)no1 ZINC001425979635 927494566 /nfs/dbraw/zinc/49/45/66/927494566.db2.gz HZJSGXXNJACTJE-LLVKDONJSA-N 1 1 309.330 -1.421 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cncnc1)c1nnnn1C ZINC001425995768 927496279 /nfs/dbraw/zinc/49/62/79/927496279.db2.gz GUTJPYQZTXIOLY-MWLCHTKSSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1COC(=O)C1 ZINC001425988952 927496560 /nfs/dbraw/zinc/49/65/60/927496560.db2.gz UECATTXFWYNKQO-MWLCHTKSSA-N 1 1 312.326 -1.068 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)nc1 ZINC001425988396 927496716 /nfs/dbraw/zinc/49/67/16/927496716.db2.gz WJGMPRSBHWLZKS-NSHDSACASA-N 1 1 320.357 -1.619 20 0 DAADMO CCc1ocnc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001425992596 927496913 /nfs/dbraw/zinc/49/69/13/927496913.db2.gz WWOXJXFPAVOITR-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cncnc1)c1nnnn1C ZINC001425995765 927497064 /nfs/dbraw/zinc/49/70/64/927497064.db2.gz GUTJPYQZTXIOLY-KOLCDFICSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)c1ncn(C)n1 ZINC001425995933 927497725 /nfs/dbraw/zinc/49/77/25/927497725.db2.gz BGYXKCZAZNNJNT-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001426003378 927499113 /nfs/dbraw/zinc/49/91/13/927499113.db2.gz PFSBRURVXYQJCY-UWVGGRQHSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C)n1cncn1 ZINC001425999996 927499318 /nfs/dbraw/zinc/49/93/18/927499318.db2.gz MQZREKKXHNQNJF-GHMZBOCLSA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@H]1CCNC1=O ZINC001426002177 927500087 /nfs/dbraw/zinc/50/00/87/927500087.db2.gz IYQBRTFFRQJDHB-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426011135 927501692 /nfs/dbraw/zinc/50/16/92/927501692.db2.gz FPMZBNBTZDDCEE-KOLCDFICSA-N 1 1 312.374 -1.765 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001426011381 927502411 /nfs/dbraw/zinc/50/24/11/927502411.db2.gz VBYBGMHWEGOLOI-JTQLQIEISA-N 1 1 310.358 -1.686 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001426011154 927503048 /nfs/dbraw/zinc/50/30/48/927503048.db2.gz FYJWASAEKIDHGT-IUCAKERBSA-N 1 1 313.362 -2.370 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426011134 927503874 /nfs/dbraw/zinc/50/38/74/927503874.db2.gz FPMZBNBTZDDCEE-GXSJLCMTSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001426019736 927504786 /nfs/dbraw/zinc/50/47/86/927504786.db2.gz BHFFBYXNRLMYMY-ZJUUUORDSA-N 1 1 308.342 -1.933 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001426013625 927505738 /nfs/dbraw/zinc/50/57/38/927505738.db2.gz HKJHTJOZOQIESE-HBNTYKKESA-N 1 1 309.370 -1.332 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001426013828 927505804 /nfs/dbraw/zinc/50/58/04/927505804.db2.gz HKRQJBQGZBXZEZ-QMMMGPOBSA-N 1 1 309.334 -2.141 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCCC(=O)N2)[nH]1 ZINC001426024797 927507718 /nfs/dbraw/zinc/50/77/18/927507718.db2.gz XCPCKHOWNVLUNH-WDEREUQCSA-N 1 1 324.385 -1.309 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001426026111 927508623 /nfs/dbraw/zinc/50/86/23/927508623.db2.gz NRTBWADBGOWEEC-UWVGGRQHSA-N 1 1 322.373 -1.354 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccncn1 ZINC001426021272 927508650 /nfs/dbraw/zinc/50/86/50/927508650.db2.gz CLGWZFVPZFOPQZ-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2cnnn2)no1 ZINC001426021414 927508955 /nfs/dbraw/zinc/50/89/55/927508955.db2.gz DJFIRFUBNABLTD-GFCCVEGCSA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001426024616 927508998 /nfs/dbraw/zinc/50/89/98/927508998.db2.gz IWGGHFHGDWIJBC-JTQLQIEISA-N 1 1 323.357 -1.523 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426025990 927509670 /nfs/dbraw/zinc/50/96/70/927509670.db2.gz YAWFIHVDTFKXHU-JTQLQIEISA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001426033995 927510851 /nfs/dbraw/zinc/51/08/51/927510851.db2.gz XNQZYBGNFYOFOC-PSASIEDQSA-N 1 1 312.330 -2.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnn(C)n1 ZINC001426029643 927511390 /nfs/dbraw/zinc/51/13/90/927511390.db2.gz FCJOKYATIXSVGJ-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001426037261 927515233 /nfs/dbraw/zinc/51/52/33/927515233.db2.gz RJCXDLIDNADDNB-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNCc1ncnn1C ZINC001426051204 927517083 /nfs/dbraw/zinc/51/70/83/927517083.db2.gz ISKFEKHFYQECOD-GFCCVEGCSA-N 1 1 321.385 -1.071 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001426057737 927517176 /nfs/dbraw/zinc/51/71/76/927517176.db2.gz MWWGZXGYVLLZQF-RYUDHWBXSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057737 927517188 /nfs/dbraw/zinc/51/71/88/927517188.db2.gz MWWGZXGYVLLZQF-RYUDHWBXSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057737 927517198 /nfs/dbraw/zinc/51/71/98/927517198.db2.gz MWWGZXGYVLLZQF-RYUDHWBXSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001426046427 927517459 /nfs/dbraw/zinc/51/74/59/927517459.db2.gz PVANOWYISWWYMX-YIZRAAEISA-N 1 1 313.383 -1.432 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)[nH]n1 ZINC001426063609 927520079 /nfs/dbraw/zinc/52/00/79/927520079.db2.gz STZDBLDRVJNUBG-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001426063609 927520087 /nfs/dbraw/zinc/52/00/87/927520087.db2.gz STZDBLDRVJNUBG-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001426063609 927520098 /nfs/dbraw/zinc/52/00/98/927520098.db2.gz STZDBLDRVJNUBG-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001426063283 927520368 /nfs/dbraw/zinc/52/03/68/927520368.db2.gz YPIJVIGKKQGOAC-CHWSQXEVSA-N 1 1 303.403 -1.550 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001426064331 927520619 /nfs/dbraw/zinc/52/06/19/927520619.db2.gz VEFWUILUKDQTSG-NSHDSACASA-N 1 1 302.375 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001426064331 927520627 /nfs/dbraw/zinc/52/06/27/927520627.db2.gz VEFWUILUKDQTSG-NSHDSACASA-N 1 1 302.375 -2.038 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001426060716 927521238 /nfs/dbraw/zinc/52/12/38/927521238.db2.gz LXWRXANAWDAKTB-ZJUUUORDSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001426060716 927521246 /nfs/dbraw/zinc/52/12/46/927521246.db2.gz LXWRXANAWDAKTB-ZJUUUORDSA-N 1 1 301.343 -1.824 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(C)=O ZINC001426064013 927521277 /nfs/dbraw/zinc/52/12/77/927521277.db2.gz OFGHLCIIZVVXPF-KOLCDFICSA-N 1 1 302.375 -1.008 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001426061882 927521845 /nfs/dbraw/zinc/52/18/45/927521845.db2.gz PMRIYGDIUZWUBP-NEPJUHHUSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001426061884 927522281 /nfs/dbraw/zinc/52/22/81/927522281.db2.gz PMRIYGDIUZWUBP-NWDGAFQWSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001426061470 927522865 /nfs/dbraw/zinc/52/28/65/927522865.db2.gz NYBSMSHGSVHNGG-KOLCDFICSA-N 1 1 324.385 -1.745 20 0 DAADMO COC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075348 927524009 /nfs/dbraw/zinc/52/40/09/927524009.db2.gz VQKNBXDOJFMEAB-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075348 927524022 /nfs/dbraw/zinc/52/40/22/927524022.db2.gz VQKNBXDOJFMEAB-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001426072746 927524085 /nfs/dbraw/zinc/52/40/85/927524085.db2.gz FHYXHIHGBBHBNA-WCQYABFASA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001426072746 927524092 /nfs/dbraw/zinc/52/40/92/927524092.db2.gz FHYXHIHGBBHBNA-WCQYABFASA-N 1 1 301.387 -1.092 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426073422 927524112 /nfs/dbraw/zinc/52/41/12/927524112.db2.gz CQCXOCBETLETLH-WDEREUQCSA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001426076651 927524718 /nfs/dbraw/zinc/52/47/18/927524718.db2.gz AJQSSZUTYQIBRX-NWDGAFQWSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001426076651 927524731 /nfs/dbraw/zinc/52/47/31/927524731.db2.gz AJQSSZUTYQIBRX-NWDGAFQWSA-N 1 1 324.385 -1.647 20 0 DAADMO COC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075382 927525062 /nfs/dbraw/zinc/52/50/62/927525062.db2.gz VQKNBXDOJFMEAB-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075382 927525073 /nfs/dbraw/zinc/52/50/73/927525073.db2.gz VQKNBXDOJFMEAB-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cn(C)nn1 ZINC001426071650 927525116 /nfs/dbraw/zinc/52/51/16/927525116.db2.gz CVGXJNQTXVOMCO-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cn(C)nn1 ZINC001426071650 927525124 /nfs/dbraw/zinc/52/51/24/927525124.db2.gz CVGXJNQTXVOMCO-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO COC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075350 927525137 /nfs/dbraw/zinc/52/51/37/927525137.db2.gz VQKNBXDOJFMEAB-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001426075350 927525145 /nfs/dbraw/zinc/52/51/45/927525145.db2.gz VQKNBXDOJFMEAB-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cn(C)nn1 ZINC001426071648 927525247 /nfs/dbraw/zinc/52/52/47/927525247.db2.gz CVGXJNQTXVOMCO-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cn(C)nn1 ZINC001426071648 927525257 /nfs/dbraw/zinc/52/52/57/927525257.db2.gz CVGXJNQTXVOMCO-LLVKDONJSA-N 1 1 324.385 -1.542 20 0 DAADMO CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001426071285 927525791 /nfs/dbraw/zinc/52/57/91/927525791.db2.gz OFPJMIAIZGTCRH-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]cc2c1 ZINC001426070530 927526020 /nfs/dbraw/zinc/52/60/20/927526020.db2.gz YPLLIXIEURCTPF-NSHDSACASA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]cc2c1 ZINC001426070530 927526030 /nfs/dbraw/zinc/52/60/30/927526030.db2.gz YPLLIXIEURCTPF-NSHDSACASA-N 1 1 320.353 -1.192 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086613 927527263 /nfs/dbraw/zinc/52/72/63/927527263.db2.gz NQSYIGZWVREDKS-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086613 927527271 /nfs/dbraw/zinc/52/72/71/927527271.db2.gz NQSYIGZWVREDKS-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1ncn(C)n1 ZINC001426081729 927527454 /nfs/dbraw/zinc/52/74/54/927527454.db2.gz XEUNOEQLVJXSGE-NSHDSACASA-N 1 1 322.373 -1.529 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cnccn1 ZINC001426089830 927528004 /nfs/dbraw/zinc/52/80/04/927528004.db2.gz FRZXBZWFZKLLOF-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cnccn1 ZINC001426089830 927528010 /nfs/dbraw/zinc/52/80/10/927528010.db2.gz FRZXBZWFZKLLOF-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001426080438 927528622 /nfs/dbraw/zinc/52/86/22/927528622.db2.gz PAHWVIKVSOLUJK-JTQLQIEISA-N 1 1 300.359 -1.214 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001426082435 927528724 /nfs/dbraw/zinc/52/87/24/927528724.db2.gz VVPNOGYRDUDYLI-QWRGUYRKSA-N 1 1 302.375 -1.593 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086615 927528836 /nfs/dbraw/zinc/52/88/36/927528836.db2.gz NQSYIGZWVREDKS-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086615 927528844 /nfs/dbraw/zinc/52/88/44/927528844.db2.gz NQSYIGZWVREDKS-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001426082427 927529000 /nfs/dbraw/zinc/52/90/00/927529000.db2.gz VVPNOGYRDUDYLI-MNOVXSKESA-N 1 1 302.375 -1.593 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001426081113 927529135 /nfs/dbraw/zinc/52/91/35/927529135.db2.gz RLKJYZUHMQQRFL-NXEZZACHSA-N 1 1 310.358 -1.634 20 0 DAADMO CN(C[C@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087602 927529330 /nfs/dbraw/zinc/52/93/30/927529330.db2.gz UZXMLGOBANQHTK-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)c1cn[nH]n1 ZINC001426095965 927530473 /nfs/dbraw/zinc/53/04/73/927530473.db2.gz MWTOWQIAERBFGZ-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cn(C)c(=O)n1C ZINC001426094885 927530592 /nfs/dbraw/zinc/53/05/92/927530592.db2.gz ZDPWYZAWJANPPI-LLVKDONJSA-N 1 1 314.386 -1.529 20 0 DAADMO CN(C)c1ccnc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001426093097 927531316 /nfs/dbraw/zinc/53/13/16/927531316.db2.gz YCZYKIITPLVUOG-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ccnc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001426093097 927531328 /nfs/dbraw/zinc/53/13/28/927531328.db2.gz YCZYKIITPLVUOG-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001426104686 927532281 /nfs/dbraw/zinc/53/22/81/927532281.db2.gz VJNMSWDZDDSKMP-GHMZBOCLSA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001426093819 927532348 /nfs/dbraw/zinc/53/23/48/927532348.db2.gz DKQYOYNQAFEURQ-WDEREUQCSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001426093819 927532365 /nfs/dbraw/zinc/53/23/65/927532365.db2.gz DKQYOYNQAFEURQ-WDEREUQCSA-N 1 1 314.386 -1.766 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001426103063 927532568 /nfs/dbraw/zinc/53/25/68/927532568.db2.gz QZRHLZBLNLICIL-LLVKDONJSA-N 1 1 322.369 -1.338 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@@H](C)O ZINC001426166819 927534030 /nfs/dbraw/zinc/53/40/30/927534030.db2.gz XLOCVBSINHSSJF-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccnn1C)[C@@H]1CCNC1=O ZINC001426153254 927534427 /nfs/dbraw/zinc/53/44/27/927534427.db2.gz HHKPZSYUAJPACP-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccnn1C)[C@@H]1CCNC1=O ZINC001426153254 927534438 /nfs/dbraw/zinc/53/44/38/927534438.db2.gz HHKPZSYUAJPACP-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)[C@H]1CCNC1=O ZINC001426160575 927535047 /nfs/dbraw/zinc/53/50/47/927535047.db2.gz KMKSVHXWIZCKJD-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)[C@H]1CCNC1=O ZINC001426160575 927535053 /nfs/dbraw/zinc/53/50/53/927535053.db2.gz KMKSVHXWIZCKJD-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426335073 927539280 /nfs/dbraw/zinc/53/92/80/927539280.db2.gz OUZUBCOINBBJDL-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001426516188 927547494 /nfs/dbraw/zinc/54/74/94/927547494.db2.gz ZJZIYGYHXZKHCI-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001426516188 927547503 /nfs/dbraw/zinc/54/75/03/927547503.db2.gz ZJZIYGYHXZKHCI-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001426549127 927554892 /nfs/dbraw/zinc/55/48/92/927554892.db2.gz YPSCHHTYUFKRLI-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426563711 927557032 /nfs/dbraw/zinc/55/70/32/927557032.db2.gz JZHPQMKGVIFYBJ-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426563711 927557043 /nfs/dbraw/zinc/55/70/43/927557043.db2.gz JZHPQMKGVIFYBJ-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1OC ZINC001426620293 927558367 /nfs/dbraw/zinc/55/83/67/927558367.db2.gz NGPBDMQKBPDXEQ-UTUOFQBUSA-N 1 1 315.370 -1.695 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1OC ZINC001426620293 927558383 /nfs/dbraw/zinc/55/83/83/927558383.db2.gz NGPBDMQKBPDXEQ-UTUOFQBUSA-N 1 1 315.370 -1.695 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618787 927558624 /nfs/dbraw/zinc/55/86/24/927558624.db2.gz SXSVZJMSMPSGCS-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618787 927558636 /nfs/dbraw/zinc/55/86/36/927558636.db2.gz SXSVZJMSMPSGCS-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC001426669811 927570355 /nfs/dbraw/zinc/57/03/55/927570355.db2.gz PGKATQBLMVXNFA-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC001426669827 927570418 /nfs/dbraw/zinc/57/04/18/927570418.db2.gz PGKATQBLMVXNFA-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC001426678087 927573505 /nfs/dbraw/zinc/57/35/05/927573505.db2.gz LFJSYTRCUREPGU-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001426853842 927581223 /nfs/dbraw/zinc/58/12/23/927581223.db2.gz ZTFFAJPTKYJNEC-MXWKQRLJSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@H](CNC(=O)N[C@@H]1COC[C@H]1O)CN1CC[NH+](C)CC1 ZINC001426916399 927588973 /nfs/dbraw/zinc/58/89/73/927588973.db2.gz BSAHYCBYIHMIEX-JHJVBQTASA-N 1 1 300.403 -1.071 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001426905820 927589090 /nfs/dbraw/zinc/58/90/90/927589090.db2.gz FIRFENPGQQDCLU-SNVBAGLBSA-N 1 1 319.431 -1.648 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001427028133 927591881 /nfs/dbraw/zinc/59/18/81/927591881.db2.gz HENFODLBBSZBIG-VHSXEESVSA-N 1 1 311.386 -1.431 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001427108505 927595039 /nfs/dbraw/zinc/59/50/39/927595039.db2.gz ZTVXEUPIDVBBMD-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](NC(=O)NC[C@H](O)Cn1ccnn1)[C@H]1C[N@H+](C)CCO1 ZINC001427123559 927597123 /nfs/dbraw/zinc/59/71/23/927597123.db2.gz GRUHGKPAXVYFHN-SDDRHHMPSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@H](O)Cn1ccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC001427123559 927597129 /nfs/dbraw/zinc/59/71/29/927597129.db2.gz GRUHGKPAXVYFHN-SDDRHHMPSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001427135057 927597213 /nfs/dbraw/zinc/59/72/13/927597213.db2.gz ZRVGVLAQFHFDBX-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001427135057 927597225 /nfs/dbraw/zinc/59/72/25/927597225.db2.gz ZRVGVLAQFHFDBX-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@@H]1C[N@H+](C)CCO1 ZINC001427122114 927597497 /nfs/dbraw/zinc/59/74/97/927597497.db2.gz BFERODXDKZUGPO-QXEWZRGKSA-N 1 1 313.358 -1.365 20 0 DAADMO C[C@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@@H]1C[N@@H+](C)CCO1 ZINC001427122114 927597501 /nfs/dbraw/zinc/59/75/01/927597501.db2.gz BFERODXDKZUGPO-QXEWZRGKSA-N 1 1 313.358 -1.365 20 0 DAADMO O=C(NCCC1CS(=O)(=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001427361645 927606812 /nfs/dbraw/zinc/60/68/12/927606812.db2.gz YRPPFMTVPPRCEY-NWDGAFQWSA-N 1 1 317.411 -1.119 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001427408564 927610460 /nfs/dbraw/zinc/61/04/60/927610460.db2.gz QIQHCBDFNKMCSS-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001427555106 927618691 /nfs/dbraw/zinc/61/86/91/927618691.db2.gz IQZXBXSDLAFYQE-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001427590971 927620258 /nfs/dbraw/zinc/62/02/58/927620258.db2.gz RRAUQSANVICWHU-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001427590975 927621048 /nfs/dbraw/zinc/62/10/48/927621048.db2.gz RRAUQSANVICWHU-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001427735538 927634723 /nfs/dbraw/zinc/63/47/23/927634723.db2.gz NSFBQDXVNXLQOT-WCQYABFASA-N 1 1 323.397 -1.031 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001427743547 927640986 /nfs/dbraw/zinc/64/09/86/927640986.db2.gz FEKJBBAAVWSHHS-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001427755137 927645313 /nfs/dbraw/zinc/64/53/13/927645313.db2.gz ONMCCPYBYASDPS-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773968 927656691 /nfs/dbraw/zinc/65/66/91/927656691.db2.gz FRCYUMYTBDBVGT-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773968 927656696 /nfs/dbraw/zinc/65/66/96/927656696.db2.gz FRCYUMYTBDBVGT-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773971 927657386 /nfs/dbraw/zinc/65/73/86/927657386.db2.gz FRCYUMYTBDBVGT-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773971 927657395 /nfs/dbraw/zinc/65/73/95/927657395.db2.gz FRCYUMYTBDBVGT-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001427776299 927658427 /nfs/dbraw/zinc/65/84/27/927658427.db2.gz JSNQFJJGSLKGPY-WPRPVWTQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001427776299 927658432 /nfs/dbraw/zinc/65/84/32/927658432.db2.gz JSNQFJJGSLKGPY-WPRPVWTQSA-N 1 1 313.314 -2.393 20 0 DAADMO CCn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001427775357 927659534 /nfs/dbraw/zinc/65/95/34/927659534.db2.gz HHFPDIMKEYJDLS-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779897 927661094 /nfs/dbraw/zinc/66/10/94/927661094.db2.gz QVYDGHRAYYIADX-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779897 927661106 /nfs/dbraw/zinc/66/11/06/927661106.db2.gz QVYDGHRAYYIADX-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783390 927663288 /nfs/dbraw/zinc/66/32/88/927663288.db2.gz YANZGKOUWBDBCO-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783390 927663297 /nfs/dbraw/zinc/66/32/97/927663297.db2.gz YANZGKOUWBDBCO-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001427786149 927666214 /nfs/dbraw/zinc/66/62/14/927666214.db2.gz CAORGTAMZMBQGT-MWLCHTKSSA-N 1 1 324.385 -1.697 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001427789034 927667321 /nfs/dbraw/zinc/66/73/21/927667321.db2.gz SWISSBFGEOYDSG-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cn(C)nn2)C1 ZINC001427795015 927670148 /nfs/dbraw/zinc/67/01/48/927670148.db2.gz DMORSHWJAGAHCW-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)C1 ZINC001427820219 927679715 /nfs/dbraw/zinc/67/97/15/927679715.db2.gz CQSAPZIDSHPRLQ-MNOVXSKESA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001427825103 927682065 /nfs/dbraw/zinc/68/20/65/927682065.db2.gz LEPFWBWFZKNQEW-PWSUYJOCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001427823137 927682711 /nfs/dbraw/zinc/68/27/11/927682711.db2.gz ICSDWDFRRWWLML-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001427822074 927682753 /nfs/dbraw/zinc/68/27/53/927682753.db2.gz GNVCZMLUCINAKO-HUBLWGQQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001427833642 927685849 /nfs/dbraw/zinc/68/58/49/927685849.db2.gz WIXNKVPUXUQIBB-QWRGUYRKSA-N 1 1 301.387 -1.308 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001427834373 927687124 /nfs/dbraw/zinc/68/71/24/927687124.db2.gz XMHSQWNYVVEQRM-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCc2nnnn2CC1 ZINC001427846907 927688849 /nfs/dbraw/zinc/68/88/49/927688849.db2.gz QVRPWHJBMQNZCH-QWRGUYRKSA-N 1 1 309.374 -1.256 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001427845711 927689084 /nfs/dbraw/zinc/68/90/84/927689084.db2.gz KMNUQVZGDOHHJH-MNOVXSKESA-N 1 1 323.353 -1.517 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001427855422 927692241 /nfs/dbraw/zinc/69/22/41/927692241.db2.gz HQXCPQWSMGAJDA-JQWIXIFHSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001427855426 927692687 /nfs/dbraw/zinc/69/26/87/927692687.db2.gz HQXCPQWSMGAJDA-PWSUYJOCSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H](C)NC(N)=O ZINC001427859067 927694072 /nfs/dbraw/zinc/69/40/72/927694072.db2.gz KQPZXZVYJAGLEC-UWVGGRQHSA-N 1 1 317.390 -2.023 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001427873083 927696350 /nfs/dbraw/zinc/69/63/50/927696350.db2.gz DYPJUNBCRKOPSL-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ccn(C)n1 ZINC001427872053 927696831 /nfs/dbraw/zinc/69/68/31/927696831.db2.gz ZRTJBLWDRCBFSH-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)n1 ZINC001427872056 927697040 /nfs/dbraw/zinc/69/70/40/927697040.db2.gz ZRTJBLWDRCBFSH-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001427872064 927697598 /nfs/dbraw/zinc/69/75/98/927697598.db2.gz ZRUAHZOIVYYEQO-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001427890276 927698561 /nfs/dbraw/zinc/69/85/61/927698561.db2.gz GOIGNLZHEIQGEZ-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890276 927698570 /nfs/dbraw/zinc/69/85/70/927698570.db2.gz GOIGNLZHEIQGEZ-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890276 927698579 /nfs/dbraw/zinc/69/85/79/927698579.db2.gz GOIGNLZHEIQGEZ-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001427890256 927699134 /nfs/dbraw/zinc/69/91/34/927699134.db2.gz GOIGNLZHEIQGEZ-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890256 927699144 /nfs/dbraw/zinc/69/91/44/927699144.db2.gz GOIGNLZHEIQGEZ-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001427890256 927699152 /nfs/dbraw/zinc/69/91/52/927699152.db2.gz GOIGNLZHEIQGEZ-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001427903007 927704348 /nfs/dbraw/zinc/70/43/48/927704348.db2.gz XCNGDICRYXKICV-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001427915451 927706437 /nfs/dbraw/zinc/70/64/37/927706437.db2.gz DTKDRWMZRMZOKD-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001427915451 927706447 /nfs/dbraw/zinc/70/64/47/927706447.db2.gz DTKDRWMZRMZOKD-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001427915451 927706459 /nfs/dbraw/zinc/70/64/59/927706459.db2.gz DTKDRWMZRMZOKD-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001427915451 927706466 /nfs/dbraw/zinc/70/64/66/927706466.db2.gz DTKDRWMZRMZOKD-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001427915451 927706474 /nfs/dbraw/zinc/70/64/74/927706474.db2.gz DTKDRWMZRMZOKD-DCAQKATOSA-N 1 1 324.385 -1.258 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cnon2)C1 ZINC001427927188 927710949 /nfs/dbraw/zinc/71/09/49/927710949.db2.gz WBCPLFMBOIYLEN-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427931707 927713579 /nfs/dbraw/zinc/71/35/79/927713579.db2.gz ZHXHYUYQMUKNHM-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001427933836 927714100 /nfs/dbraw/zinc/71/41/00/927714100.db2.gz FUDYGSBBIZLWFF-MNOVXSKESA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001428092732 927734784 /nfs/dbraw/zinc/73/47/84/927734784.db2.gz ZEXMMFBJAVTKLD-DCAQKATOSA-N 1 1 311.386 -1.146 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(F)F ZINC001428139252 927736358 /nfs/dbraw/zinc/73/63/58/927736358.db2.gz IRZLRSMVUATCJU-RKDXNWHRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(F)F ZINC001428139252 927736365 /nfs/dbraw/zinc/73/63/65/927736365.db2.gz IRZLRSMVUATCJU-RKDXNWHRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnnn1C ZINC001428179177 927747382 /nfs/dbraw/zinc/74/73/82/927747382.db2.gz KWGVZIYOIVCZJH-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cncnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428204563 927754993 /nfs/dbraw/zinc/75/49/93/927754993.db2.gz PPBNYFMGCRABBI-DGCLKSJQSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ncn(C)n1 ZINC001428209120 927755982 /nfs/dbraw/zinc/75/59/82/927755982.db2.gz VAOYCAJNGKPPMA-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ncn(C)n1 ZINC001428209121 927757298 /nfs/dbraw/zinc/75/72/98/927757298.db2.gz VAOYCAJNGKPPMA-QWRGUYRKSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221405 927759850 /nfs/dbraw/zinc/75/98/50/927759850.db2.gz UVASOZUOEUXWCJ-OLZOCXBDSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221405 927759860 /nfs/dbraw/zinc/75/98/60/927759860.db2.gz UVASOZUOEUXWCJ-OLZOCXBDSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccncn1 ZINC001428240516 927763259 /nfs/dbraw/zinc/76/32/59/927763259.db2.gz LCKSLKGWGGBJGO-NEPJUHHUSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001428254898 927765222 /nfs/dbraw/zinc/76/52/22/927765222.db2.gz HCQKGQVPBRFNAU-PHIMTYICSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001428261150 927768380 /nfs/dbraw/zinc/76/83/80/927768380.db2.gz PXBVTLSTPXVVKF-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428265495 927769046 /nfs/dbraw/zinc/76/90/46/927769046.db2.gz ASAIZFKFGNEWJG-VXGBXAGGSA-N 1 1 317.386 -1.759 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428265495 927769052 /nfs/dbraw/zinc/76/90/52/927769052.db2.gz ASAIZFKFGNEWJG-VXGBXAGGSA-N 1 1 317.386 -1.759 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428504210 927783133 /nfs/dbraw/zinc/78/31/33/927783133.db2.gz JYDUMCINGFDKPC-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428504210 927783146 /nfs/dbraw/zinc/78/31/46/927783146.db2.gz JYDUMCINGFDKPC-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428657160 927794602 /nfs/dbraw/zinc/79/46/02/927794602.db2.gz APACSHFTYCXFBX-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001428675940 927794697 /nfs/dbraw/zinc/79/46/97/927794697.db2.gz NWBURERGJGCFFB-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001428675935 927795146 /nfs/dbraw/zinc/79/51/46/927795146.db2.gz NWBURERGJGCFFB-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428657159 927795206 /nfs/dbraw/zinc/79/52/06/927795206.db2.gz APACSHFTYCXFBX-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001428743925 927800200 /nfs/dbraw/zinc/80/02/00/927800200.db2.gz CELLRCGBTMEDHN-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001428793859 927808362 /nfs/dbraw/zinc/80/83/62/927808362.db2.gz FSDVQTVTOLSXPK-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001428799849 927810109 /nfs/dbraw/zinc/81/01/09/927810109.db2.gz WUPPGLLBWCSJBC-GHMZBOCLSA-N 1 1 324.385 -1.543 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001428902154 927822787 /nfs/dbraw/zinc/82/27/87/927822787.db2.gz JHLWTXRUVCZDJG-UTUOFQBUSA-N 1 1 310.354 -1.086 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001428996813 927833804 /nfs/dbraw/zinc/83/38/04/927833804.db2.gz TVPSEVRHLCDCBX-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429051956 927836864 /nfs/dbraw/zinc/83/68/64/927836864.db2.gz UMQZUGFKBMRKFC-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCC(=O)N1 ZINC001429205804 927844976 /nfs/dbraw/zinc/84/49/76/927844976.db2.gz ZVVWCBWIYAIVJO-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCC(=O)N1 ZINC001429205804 927844987 /nfs/dbraw/zinc/84/49/87/927844987.db2.gz ZVVWCBWIYAIVJO-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001429234218 927848387 /nfs/dbraw/zinc/84/83/87/927848387.db2.gz LOZJEQZPOCJMNI-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NCCC(=O)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001429241837 927851197 /nfs/dbraw/zinc/85/11/97/927851197.db2.gz AJWQHHYMUDLIBM-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 ZINC001429276363 927854587 /nfs/dbraw/zinc/85/45/87/927854587.db2.gz DGYBHWDPKMCZNX-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)CCNC(N)=O ZINC001429307723 927859736 /nfs/dbraw/zinc/85/97/36/927859736.db2.gz NGSAUHYQICSFBM-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001429459869 927873605 /nfs/dbraw/zinc/87/36/05/927873605.db2.gz WBHQIEVPEZBBNB-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)Cn1cnnn1 ZINC001429694635 927893480 /nfs/dbraw/zinc/89/34/80/927893480.db2.gz HJTIJKOZVFJTDB-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)Cn1cnnn1 ZINC001429694630 927893523 /nfs/dbraw/zinc/89/35/23/927893523.db2.gz HJTIJKOZVFJTDB-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001429872689 927902534 /nfs/dbraw/zinc/90/25/34/927902534.db2.gz MRECNDOOOHFQRW-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001430118127 927910538 /nfs/dbraw/zinc/91/05/38/927910538.db2.gz OPSRTJOJUAZVBM-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430091744 927911383 /nfs/dbraw/zinc/91/13/83/927911383.db2.gz XCCOCUSGDRCVHG-AXFHLTTASA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001430156640 927915204 /nfs/dbraw/zinc/91/52/04/927915204.db2.gz UFOVYKAHWAHMHD-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001430156640 927915210 /nfs/dbraw/zinc/91/52/10/927915210.db2.gz UFOVYKAHWAHMHD-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001430158008 927917812 /nfs/dbraw/zinc/91/78/12/927917812.db2.gz RSBIOMUOTDLLHI-NSHDSACASA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)COCC(F)F)C2)C1 ZINC001430169404 927920049 /nfs/dbraw/zinc/92/00/49/927920049.db2.gz OUTDSYYXDATQAB-SNVBAGLBSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)COCC(F)F)C2)C1 ZINC001430169404 927920061 /nfs/dbraw/zinc/92/00/61/927920061.db2.gz OUTDSYYXDATQAB-SNVBAGLBSA-N 1 1 321.324 -1.074 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001430190444 927924402 /nfs/dbraw/zinc/92/44/02/927924402.db2.gz WGWJRPSFMJPSBL-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC001430189501 927924912 /nfs/dbraw/zinc/92/49/12/927924912.db2.gz VBMRFLLUBDEHKP-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(CCc1cnc[nH]1)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001430228361 927927550 /nfs/dbraw/zinc/92/75/50/927927550.db2.gz IYPDIDUOMRXRKF-UHFFFAOYSA-N 1 1 319.325 -1.333 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)CCn2cnnn2)C1)C1CCC1 ZINC001430232013 927930741 /nfs/dbraw/zinc/93/07/41/927930741.db2.gz UMGCYURCJBCAGK-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430327854 927938537 /nfs/dbraw/zinc/93/85/37/927938537.db2.gz YLMNISVHRYLMAV-CYBMUJFWSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCNC(N)=O)C1 ZINC001430345036 927940066 /nfs/dbraw/zinc/94/00/66/927940066.db2.gz PCBZHKJHHUXDJF-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001430364561 927942660 /nfs/dbraw/zinc/94/26/60/927942660.db2.gz GUCQZUXKMMPRLS-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001430358626 927942804 /nfs/dbraw/zinc/94/28/04/927942804.db2.gz BHCPOSGRMIMMIY-SVDPJWKOSA-N 1 1 309.370 -1.821 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430435898 927951374 /nfs/dbraw/zinc/95/13/74/927951374.db2.gz JQSPNINMWDLSQE-MNOVXSKESA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430435898 927951386 /nfs/dbraw/zinc/95/13/86/927951386.db2.gz JQSPNINMWDLSQE-MNOVXSKESA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481640 927955872 /nfs/dbraw/zinc/95/58/72/927955872.db2.gz KKXZIXOIBAOIJM-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481640 927955883 /nfs/dbraw/zinc/95/58/83/927955883.db2.gz KKXZIXOIBAOIJM-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1(NC(N)=O)CC1 ZINC001430472451 927956155 /nfs/dbraw/zinc/95/61/55/927956155.db2.gz MOMHEHFMGXWZNM-ZJUUUORDSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481635 927956618 /nfs/dbraw/zinc/95/66/18/927956618.db2.gz KKXZIXOIBAOIJM-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481635 927956628 /nfs/dbraw/zinc/95/66/28/927956628.db2.gz KKXZIXOIBAOIJM-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001430486969 927957953 /nfs/dbraw/zinc/95/79/53/927957953.db2.gz WYQHLZJUQBHOMG-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001430486969 927957963 /nfs/dbraw/zinc/95/79/63/927957963.db2.gz WYQHLZJUQBHOMG-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486223 927958196 /nfs/dbraw/zinc/95/81/96/927958196.db2.gz VBDNVSOUCVPAJJ-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncn1C ZINC001430486223 927958201 /nfs/dbraw/zinc/95/82/01/927958201.db2.gz VBDNVSOUCVPAJJ-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001430521892 927959288 /nfs/dbraw/zinc/95/92/88/927959288.db2.gz ZQXKPYRKEZZCCP-SCZZXKLOSA-N 1 1 309.326 -1.079 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001430656305 927971015 /nfs/dbraw/zinc/97/10/15/927971015.db2.gz CBTFJIJIXHGMJH-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001430720677 927976760 /nfs/dbraw/zinc/97/67/60/927976760.db2.gz CXNKDVXUHSCPFM-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)C1 ZINC001430901777 927986123 /nfs/dbraw/zinc/98/61/23/927986123.db2.gz UYCLDWGRKUAUNF-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001430981184 927987639 /nfs/dbraw/zinc/98/76/39/927987639.db2.gz CXVMZNYRDLEUSN-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430963622 927988061 /nfs/dbraw/zinc/98/80/61/927988061.db2.gz NFUTUYWLXHZTAG-MNOVXSKESA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001431129935 927996539 /nfs/dbraw/zinc/99/65/39/927996539.db2.gz AUTQENAYNGNTJN-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CN1CN=NC1=O ZINC001431179018 928001119 /nfs/dbraw/zinc/00/11/19/928001119.db2.gz UPWCQZQCTFDHKH-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO CN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431232164 928004962 /nfs/dbraw/zinc/00/49/62/928004962.db2.gz BWJWNGGZFMMCJD-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431232164 928004973 /nfs/dbraw/zinc/00/49/73/928004973.db2.gz BWJWNGGZFMMCJD-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)CCNC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431236327 928005767 /nfs/dbraw/zinc/00/57/67/928005767.db2.gz WEVCEBBMOKSTBY-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CN(CCNC(=O)c1ncccn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431460403 928024295 /nfs/dbraw/zinc/02/42/95/928024295.db2.gz REZFAORUDQXQJX-NSHDSACASA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1ncccn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431460403 928024311 /nfs/dbraw/zinc/02/43/11/928024311.db2.gz REZFAORUDQXQJX-NSHDSACASA-N 1 1 307.354 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001431464845 928025550 /nfs/dbraw/zinc/02/55/50/928025550.db2.gz ZMLKAXVNSOFTQZ-ZYHUDNBSSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001431490278 928034331 /nfs/dbraw/zinc/03/43/31/928034331.db2.gz QMYJQAOJGWVMHF-LBPRGKRZSA-N 1 1 311.386 -1.183 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001431503496 928042555 /nfs/dbraw/zinc/04/25/55/928042555.db2.gz MBRNKVBVWPUBBI-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509186 928043295 /nfs/dbraw/zinc/04/32/95/928043295.db2.gz OTGRKRUUSUHFMM-GHMZBOCLSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509186 928043303 /nfs/dbraw/zinc/04/33/03/928043303.db2.gz OTGRKRUUSUHFMM-GHMZBOCLSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2cccn2)C1 ZINC001431507826 928044259 /nfs/dbraw/zinc/04/42/59/928044259.db2.gz NBEPIDQORCRVST-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001431513877 928046949 /nfs/dbraw/zinc/04/69/49/928046949.db2.gz PBTRFZLYLGDVQT-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccc2O)C1 ZINC001431528150 928049466 /nfs/dbraw/zinc/04/94/66/928049466.db2.gz GTPJSSHPLHOJPJ-GHMZBOCLSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncccc2O)C1 ZINC001431528153 928049602 /nfs/dbraw/zinc/04/96/02/928049602.db2.gz GTPJSSHPLHOJPJ-MNOVXSKESA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001431534258 928051866 /nfs/dbraw/zinc/05/18/66/928051866.db2.gz CQDGGJONTQAJPM-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534258 928051877 /nfs/dbraw/zinc/05/18/77/928051877.db2.gz CQDGGJONTQAJPM-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534258 928051890 /nfs/dbraw/zinc/05/18/90/928051890.db2.gz CQDGGJONTQAJPM-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534258 928051903 /nfs/dbraw/zinc/05/19/03/928051903.db2.gz CQDGGJONTQAJPM-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534258 928051918 /nfs/dbraw/zinc/05/19/18/928051918.db2.gz CQDGGJONTQAJPM-MNOVXSKESA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001431531331 928053095 /nfs/dbraw/zinc/05/30/95/928053095.db2.gz NLQMYRDIVVLVOM-LLVKDONJSA-N 1 1 312.370 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)COCC(F)F)C1 ZINC001431544446 928056602 /nfs/dbraw/zinc/05/66/02/928056602.db2.gz KSZWKDKFLRQRDX-VHSXEESVSA-N 1 1 323.340 -1.187 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)c2nnn(C)n2)C1 ZINC001431541497 928057865 /nfs/dbraw/zinc/05/78/65/928057865.db2.gz YSGXUIHRJBTJIV-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1cnon1)C1CCC1 ZINC001431541411 928058279 /nfs/dbraw/zinc/05/82/79/928058279.db2.gz STLUCFBANSFLFP-JTQLQIEISA-N 1 1 311.342 -1.239 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001431546304 928058485 /nfs/dbraw/zinc/05/84/85/928058485.db2.gz AATJFIJLPCYKPK-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001431555349 928062730 /nfs/dbraw/zinc/06/27/30/928062730.db2.gz XGCQBBOZPUVIMN-GHMZBOCLSA-N 1 1 324.385 -1.543 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1nonc1C ZINC001431566062 928065498 /nfs/dbraw/zinc/06/54/98/928065498.db2.gz FHPLRKUAMZJREK-SNVBAGLBSA-N 1 1 313.358 -1.073 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ccncn1 ZINC001431570812 928068714 /nfs/dbraw/zinc/06/87/14/928068714.db2.gz QERGRHYWJIJZAF-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431603929 928072466 /nfs/dbraw/zinc/07/24/66/928072466.db2.gz WYWOAUIPKQVPJT-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431603929 928072477 /nfs/dbraw/zinc/07/24/77/928072477.db2.gz WYWOAUIPKQVPJT-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431603927 928072956 /nfs/dbraw/zinc/07/29/56/928072956.db2.gz WYWOAUIPKQVPJT-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431603927 928072970 /nfs/dbraw/zinc/07/29/70/928072970.db2.gz WYWOAUIPKQVPJT-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431637804 928074323 /nfs/dbraw/zinc/07/43/23/928074323.db2.gz ICEZCUVAFBZCCR-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431637804 928074338 /nfs/dbraw/zinc/07/43/38/928074338.db2.gz ICEZCUVAFBZCCR-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431783073 928085099 /nfs/dbraw/zinc/08/50/99/928085099.db2.gz KCRMFBYDZZFDCO-IUCAKERBSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431783073 928085113 /nfs/dbraw/zinc/08/51/13/928085113.db2.gz KCRMFBYDZZFDCO-IUCAKERBSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001431867820 928089038 /nfs/dbraw/zinc/08/90/38/928089038.db2.gz VVCXBAOACAVHFB-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001431867161 928089123 /nfs/dbraw/zinc/08/91/23/928089123.db2.gz PKMPDTGKZJTCRW-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)CCNC(N)=O)C1 ZINC001432018270 928097851 /nfs/dbraw/zinc/09/78/51/928097851.db2.gz XTKXIRGYQDWWNT-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)NC(N)=O ZINC001432024034 928098915 /nfs/dbraw/zinc/09/89/15/928098915.db2.gz NDNDQLLEYUNYDV-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC001432050402 928102949 /nfs/dbraw/zinc/10/29/49/928102949.db2.gz XMCOHVZPEQQRLI-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001432107451 928105326 /nfs/dbraw/zinc/10/53/26/928105326.db2.gz UZOROSDIYJXFSO-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001432200559 928113118 /nfs/dbraw/zinc/11/31/18/928113118.db2.gz HIPXOYULVLMAFA-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001432233517 928119062 /nfs/dbraw/zinc/11/90/62/928119062.db2.gz NAYKAGMOAWHNSI-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)c3nnn(C)n3)CC2)C1 ZINC001432273772 928125493 /nfs/dbraw/zinc/12/54/93/928125493.db2.gz CUOJRTZBIOKKOV-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)c2nnn(C)n2)CC1 ZINC001432280930 928126044 /nfs/dbraw/zinc/12/60/44/928126044.db2.gz VLJMYUPLBRPPPB-UHFFFAOYSA-N 1 1 318.341 -1.206 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)c3nnn(C)n3)CC2)C1 ZINC001432273770 928126427 /nfs/dbraw/zinc/12/64/27/928126427.db2.gz CUOJRTZBIOKKOV-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001432313070 928130343 /nfs/dbraw/zinc/13/03/43/928130343.db2.gz GPUNTGUFRPVJPL-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001432313071 928131340 /nfs/dbraw/zinc/13/13/40/928131340.db2.gz GPUNTGUFRPVJPL-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC001432344821 928135184 /nfs/dbraw/zinc/13/51/84/928135184.db2.gz BTPOMVWTCNCCQO-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001432452393 928148315 /nfs/dbraw/zinc/14/83/15/928148315.db2.gz QLFCXISIDAULMZ-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001432453901 928149462 /nfs/dbraw/zinc/14/94/62/928149462.db2.gz WWTWTGHHBLKODD-NSHDSACASA-N 1 1 321.337 -1.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001432480037 928154161 /nfs/dbraw/zinc/15/41/61/928154161.db2.gz WFAUJWQRQQCKKK-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001432639662 928159565 /nfs/dbraw/zinc/15/95/65/928159565.db2.gz PEVQZELCRGAQBM-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(=O)NC ZINC001432690704 928161908 /nfs/dbraw/zinc/16/19/08/928161908.db2.gz GFRSEBAJVAWWKE-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773539 928164753 /nfs/dbraw/zinc/16/47/53/928164753.db2.gz BBXRLAREZDYYTR-WFASDCNBSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773539 928164764 /nfs/dbraw/zinc/16/47/64/928164764.db2.gz BBXRLAREZDYYTR-WFASDCNBSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432958542 928172604 /nfs/dbraw/zinc/17/26/04/928172604.db2.gz UYMAMPVNNTZRHW-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001433158034 928179092 /nfs/dbraw/zinc/17/90/92/928179092.db2.gz FDXLOYQKXRKHGV-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001433158030 928179524 /nfs/dbraw/zinc/17/95/24/928179524.db2.gz FDXLOYQKXRKHGV-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001433172102 928180974 /nfs/dbraw/zinc/18/09/74/928180974.db2.gz JDAOPZGPBCTSEQ-UTUOFQBUSA-N 1 1 310.398 -1.024 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001433173327 928181256 /nfs/dbraw/zinc/18/12/56/928181256.db2.gz XQLKNSRJBXZEAV-JTQLQIEISA-N 1 1 309.374 -1.308 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230646 928184862 /nfs/dbraw/zinc/18/48/62/928184862.db2.gz CCPAXGYLVCJNET-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230646 928184878 /nfs/dbraw/zinc/18/48/78/928184878.db2.gz CCPAXGYLVCJNET-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cccn2)CC[N@H+]1C ZINC001433239615 928190549 /nfs/dbraw/zinc/19/05/49/928190549.db2.gz GWVLJPXNWXUOJW-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001433241612 928190893 /nfs/dbraw/zinc/19/08/93/928190893.db2.gz HYHNCMKHMAZDCB-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001433244031 928192294 /nfs/dbraw/zinc/19/22/94/928192294.db2.gz VFJKEONGSSJJLY-LLVKDONJSA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001433244032 928192457 /nfs/dbraw/zinc/19/24/57/928192457.db2.gz VFJKEONGSSJJLY-NSHDSACASA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001433245490 928194107 /nfs/dbraw/zinc/19/41/07/928194107.db2.gz YXVSLPXBELXAAT-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001433260118 928200326 /nfs/dbraw/zinc/20/03/26/928200326.db2.gz HMJKGFACNLHHQW-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001433270978 928202939 /nfs/dbraw/zinc/20/29/39/928202939.db2.gz ZGPAVJKIWXELHK-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001433275101 928203121 /nfs/dbraw/zinc/20/31/21/928203121.db2.gz CSPZRVLKRXJQLW-QJPTWQEYSA-N 1 1 301.387 -1.309 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001433283845 928208588 /nfs/dbraw/zinc/20/85/88/928208588.db2.gz PWSNBMASDXLFGB-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001433288201 928209344 /nfs/dbraw/zinc/20/93/44/928209344.db2.gz FATOPIDCPFJKPH-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001433288205 928209635 /nfs/dbraw/zinc/20/96/35/928209635.db2.gz FATOPIDCPFJKPH-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291165 928209838 /nfs/dbraw/zinc/20/98/38/928209838.db2.gz DMRGHTFSKYTWCC-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291165 928209848 /nfs/dbraw/zinc/20/98/48/928209848.db2.gz DMRGHTFSKYTWCC-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001433291803 928209877 /nfs/dbraw/zinc/20/98/77/928209877.db2.gz BTTVFHXMXQCSPJ-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001433291245 928210785 /nfs/dbraw/zinc/21/07/85/928210785.db2.gz NXTJKCZVXHYJOB-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001433291245 928210798 /nfs/dbraw/zinc/21/07/98/928210798.db2.gz NXTJKCZVXHYJOB-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001433294802 928212771 /nfs/dbraw/zinc/21/27/71/928212771.db2.gz COKBTBYPHALYLQ-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001433294802 928212777 /nfs/dbraw/zinc/21/27/77/928212777.db2.gz COKBTBYPHALYLQ-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433313628 928213948 /nfs/dbraw/zinc/21/39/48/928213948.db2.gz CVACMSZHEUOZAB-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001433309966 928214779 /nfs/dbraw/zinc/21/47/79/928214779.db2.gz IDNNKQNWLBSBAG-KIJLLGNVSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001433319941 928215776 /nfs/dbraw/zinc/21/57/76/928215776.db2.gz WGVYMUQJTOCKKJ-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001433319948 928217083 /nfs/dbraw/zinc/21/70/83/928217083.db2.gz WGVYMUQJTOCKKJ-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433378373 928222899 /nfs/dbraw/zinc/22/28/99/928222899.db2.gz ZLMGHBKZKTUJTI-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433378373 928222909 /nfs/dbraw/zinc/22/29/09/928222909.db2.gz ZLMGHBKZKTUJTI-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](c1nnnn1C)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001433424192 928225423 /nfs/dbraw/zinc/22/54/23/928225423.db2.gz UIGVJMHGJILESQ-RYUDHWBXSA-N 1 1 323.401 -1.254 20 0 DAADMO C[C@@H](c1nnnn1C)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001433424192 928225435 /nfs/dbraw/zinc/22/54/35/928225435.db2.gz UIGVJMHGJILESQ-RYUDHWBXSA-N 1 1 323.401 -1.254 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001433457300 928228132 /nfs/dbraw/zinc/22/81/32/928228132.db2.gz PKMPDTGKZJTCRW-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001433542923 928236449 /nfs/dbraw/zinc/23/64/49/928236449.db2.gz HAANRKODWBITMF-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433542926 928237146 /nfs/dbraw/zinc/23/71/46/928237146.db2.gz HAANRKODWBITMF-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CN=NC1=O ZINC001433611223 928245424 /nfs/dbraw/zinc/24/54/24/928245424.db2.gz LCUOXMKNZNDODW-JTQLQIEISA-N 1 1 312.374 -1.054 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)C[NH+]1CCC(CO)CC1 ZINC001433626409 928246719 /nfs/dbraw/zinc/24/67/19/928246719.db2.gz PNSVGHPCGRILDW-UHFFFAOYSA-N 1 1 315.370 -1.432 20 0 DAADMO Cc1nn(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)c(=O)o1 ZINC001433665726 928250566 /nfs/dbraw/zinc/25/05/66/928250566.db2.gz TWUSUOSKJKIYKR-UHFFFAOYSA-N 1 1 311.342 -1.575 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001433765163 928262809 /nfs/dbraw/zinc/26/28/09/928262809.db2.gz FGGIXDBBWVRMIN-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001433765158 928263305 /nfs/dbraw/zinc/26/33/05/928263305.db2.gz FGGIXDBBWVRMIN-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001433803199 928265409 /nfs/dbraw/zinc/26/54/09/928265409.db2.gz DXOCRZHRNUGRGB-VWYCJHECSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC001433806099 928266219 /nfs/dbraw/zinc/26/62/19/928266219.db2.gz QBOJVGVZXYNSMZ-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC001433806088 928266921 /nfs/dbraw/zinc/26/69/21/928266921.db2.gz QBOJVGVZXYNSMZ-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cn3cnnn3)CC2)CC[N@H+]1C ZINC001433829167 928268496 /nfs/dbraw/zinc/26/84/96/928268496.db2.gz TVXYBQQYJBLSJH-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001433856962 928272570 /nfs/dbraw/zinc/27/25/70/928272570.db2.gz GAXIXXQHUOGVFH-VWYCJHECSA-N 1 1 324.381 -1.797 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001433856962 928272584 /nfs/dbraw/zinc/27/25/84/928272584.db2.gz GAXIXXQHUOGVFH-VWYCJHECSA-N 1 1 324.381 -1.797 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001433856959 928272924 /nfs/dbraw/zinc/27/29/24/928272924.db2.gz GAXIXXQHUOGVFH-OUAUKWLOSA-N 1 1 324.381 -1.797 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001433856959 928272936 /nfs/dbraw/zinc/27/29/36/928272936.db2.gz GAXIXXQHUOGVFH-OUAUKWLOSA-N 1 1 324.381 -1.797 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 ZINC001433890802 928275628 /nfs/dbraw/zinc/27/56/28/928275628.db2.gz LYQNNMLRLPSEIZ-ZANVPECISA-N 1 1 324.341 -1.817 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)C1 ZINC001433890796 928276645 /nfs/dbraw/zinc/27/66/45/928276645.db2.gz LYQNNMLRLPSEIZ-RNCFNFMXSA-N 1 1 324.341 -1.817 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC001433889282 928276909 /nfs/dbraw/zinc/27/69/09/928276909.db2.gz DXLBRYUZAISLOG-ZDUSSCGKSA-N 1 1 321.341 -1.030 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)CC[N@@H+]1CCO ZINC001433927928 928281857 /nfs/dbraw/zinc/28/18/57/928281857.db2.gz CEINGCZOMXPFSL-YPMHNXCESA-N 1 1 312.370 -1.625 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C[C@H](O)CO)c2)CC[N@H+]1CCO ZINC001433927928 928281872 /nfs/dbraw/zinc/28/18/72/928281872.db2.gz CEINGCZOMXPFSL-YPMHNXCESA-N 1 1 312.370 -1.625 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC[N@@H+]1CCO ZINC001433927926 928282832 /nfs/dbraw/zinc/28/28/32/928282832.db2.gz CEINGCZOMXPFSL-WCQYABFASA-N 1 1 312.370 -1.625 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC[N@H+]1CCO ZINC001433927926 928282848 /nfs/dbraw/zinc/28/28/48/928282848.db2.gz CEINGCZOMXPFSL-WCQYABFASA-N 1 1 312.370 -1.625 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)c2nnn(C)n2)CC1 ZINC001433939810 928284723 /nfs/dbraw/zinc/28/47/23/928284723.db2.gz DNRXHYZUUYAGQW-UHFFFAOYSA-N 1 1 318.341 -1.206 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001433949070 928285087 /nfs/dbraw/zinc/28/50/87/928285087.db2.gz WSMOQSOVXCEXCZ-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001433961624 928286555 /nfs/dbraw/zinc/28/65/55/928286555.db2.gz AAHQNTRDXOOMSB-RDBSUJKOSA-N 1 1 324.381 -1.483 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001433959441 928287171 /nfs/dbraw/zinc/28/71/71/928287171.db2.gz MRUBIKMQNBWCIR-VHSXEESVSA-N 1 1 311.386 -1.098 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001434015226 928292980 /nfs/dbraw/zinc/29/29/80/928292980.db2.gz RTKIOFBAOSAUKM-MNOVXSKESA-N 1 1 304.416 -1.113 20 0 DAADMO NC(=O)CN1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1=O ZINC001434071592 928300189 /nfs/dbraw/zinc/30/01/89/928300189.db2.gz NAQNYPQJBPTIPU-UHFFFAOYSA-N 1 1 312.370 -2.153 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001434095922 928305535 /nfs/dbraw/zinc/30/55/35/928305535.db2.gz JRFKRFKRUCQRLW-LLVKDONJSA-N 1 1 315.370 -1.298 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCn2cnc3c2ncnc3N)[C@@H](CO)C1 ZINC001434223181 928316313 /nfs/dbraw/zinc/31/63/13/928316313.db2.gz AFIUOOLEFZLYAE-SNVBAGLBSA-N 1 1 319.369 -1.067 20 0 DAADMO C[N@H+]1CCN(C(=O)CCn2cnc3c2ncnc3N)[C@@H](CO)C1 ZINC001434223181 928316324 /nfs/dbraw/zinc/31/63/24/928316324.db2.gz AFIUOOLEFZLYAE-SNVBAGLBSA-N 1 1 319.369 -1.067 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC1C(=O)N=CNC1=O ZINC001434236598 928317669 /nfs/dbraw/zinc/31/76/69/928317669.db2.gz CZBCLVKRIXZUNP-UHFFFAOYSA-N 1 1 323.353 -1.337 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001434237213 928318338 /nfs/dbraw/zinc/31/83/38/928318338.db2.gz KOFMLTCJBJQUDR-UHFFFAOYSA-N 1 1 307.354 -1.040 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001434245325 928319935 /nfs/dbraw/zinc/31/99/35/928319935.db2.gz BRNLEUZLMWPUBC-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001434245325 928319950 /nfs/dbraw/zinc/31/99/50/928319950.db2.gz BRNLEUZLMWPUBC-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC001434289520 928324360 /nfs/dbraw/zinc/32/43/60/928324360.db2.gz ZXIBMDJFFZRGPT-OAHLLOKOSA-N 1 1 323.349 -1.122 20 0 DAADMO COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)O1 ZINC001434287806 928325219 /nfs/dbraw/zinc/32/52/19/928325219.db2.gz PCUCQMNSPSJQTN-GBIKHYSHSA-N 1 1 302.327 -1.826 20 0 DAADMO NC(=O)COc1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001434281755 928325389 /nfs/dbraw/zinc/32/53/89/928325389.db2.gz DXSWPLWQDPSIHM-HNNXBMFYSA-N 1 1 323.349 -1.369 20 0 DAADMO CS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)co1 ZINC001434287621 928325544 /nfs/dbraw/zinc/32/55/44/928325544.db2.gz KZPHAWWNORZFHL-GFCCVEGCSA-N 1 1 318.351 -1.236 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001434310677 928327176 /nfs/dbraw/zinc/32/71/76/928327176.db2.gz PWMBLVNCUBCXJM-PKFCDNJMSA-N 1 1 316.354 -1.138 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001434310677 928327191 /nfs/dbraw/zinc/32/71/91/928327191.db2.gz PWMBLVNCUBCXJM-PKFCDNJMSA-N 1 1 316.354 -1.138 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001434331002 928333698 /nfs/dbraw/zinc/33/36/98/928333698.db2.gz GHJXYCBTQSYWCQ-HBNTYKKESA-N 1 1 303.384 -1.654 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329813 928334798 /nfs/dbraw/zinc/33/47/98/928334798.db2.gz AQBXBNGSLNFCPG-SWLSCSKDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329813 928334806 /nfs/dbraw/zinc/33/48/06/928334806.db2.gz AQBXBNGSLNFCPG-SWLSCSKDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434346554 928336403 /nfs/dbraw/zinc/33/64/03/928336403.db2.gz WRFXCAYMLXDGEZ-UWVGGRQHSA-N 1 1 319.431 -1.937 20 0 DAADMO NS(=O)(=O)c1cnn(CC(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001434397378 928346534 /nfs/dbraw/zinc/34/65/34/928346534.db2.gz PUYZYXVRHSDLGT-UHFFFAOYSA-N 1 1 315.355 -2.270 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1(n2cnnn2)CC1 ZINC001434418962 928348865 /nfs/dbraw/zinc/34/88/65/928348865.db2.gz BPUQZKHIGFVMGV-WCQYABFASA-N 1 1 322.369 -1.496 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1(n2cnnn2)CC1 ZINC001434418962 928348878 /nfs/dbraw/zinc/34/88/78/928348878.db2.gz BPUQZKHIGFVMGV-WCQYABFASA-N 1 1 322.369 -1.496 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001434407455 928349445 /nfs/dbraw/zinc/34/94/45/928349445.db2.gz JKICUOOJUYQZBF-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H](O)Cn1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001434422476 928351275 /nfs/dbraw/zinc/35/12/75/928351275.db2.gz BXOHZAQIDMPLQR-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC001434428729 928351821 /nfs/dbraw/zinc/35/18/21/928351821.db2.gz XJDAMDHJZYKKRT-UHFFFAOYSA-N 1 1 318.443 -1.239 20 0 DAADMO CNC(=O)[C@@H](O)CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001434430588 928351980 /nfs/dbraw/zinc/35/19/80/928351980.db2.gz KSMAHXWUEBFZMP-LBPRGKRZSA-N 1 1 323.397 -1.145 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001434419108 928352966 /nfs/dbraw/zinc/35/29/66/928352966.db2.gz FEPVRZWMEJKSLG-CMPLNLGQSA-N 1 1 321.399 -2.123 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001434419108 928352980 /nfs/dbraw/zinc/35/29/80/928352980.db2.gz FEPVRZWMEJKSLG-CMPLNLGQSA-N 1 1 321.399 -2.123 20 0 DAADMO Cn1nnnc1CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001434458989 928354085 /nfs/dbraw/zinc/35/40/85/928354085.db2.gz FJGJIVVMEXFYSC-VIFPVBQESA-N 1 1 303.392 -1.742 20 0 DAADMO Cc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001434447339 928355338 /nfs/dbraw/zinc/35/53/38/928355338.db2.gz RWZFLCLEJZLMQM-LBPRGKRZSA-N 1 1 316.383 -1.049 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C(N)=O ZINC001434482199 928355627 /nfs/dbraw/zinc/35/56/27/928355627.db2.gz HZSMWSCZAVSLIO-JLLWLGSASA-N 1 1 315.370 -1.939 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C1(C(N)=O)CCOCC1)C(=O)N(C)C ZINC001434479511 928356670 /nfs/dbraw/zinc/35/66/70/928356670.db2.gz UNKYGAQGTKSYKL-VIFPVBQESA-N 1 1 300.359 -1.797 20 0 DAADMO NC(=O)[C@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C[C@H]1C(N)=O ZINC001434481723 928356799 /nfs/dbraw/zinc/35/67/99/928356799.db2.gz CTUBFRIXJXKNTM-PREPNJAASA-N 1 1 308.382 -1.048 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC001434476136 928357231 /nfs/dbraw/zinc/35/72/31/928357231.db2.gz TVLFULLJOHXKMH-VIFPVBQESA-N 1 1 307.372 -1.581 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC001434476136 928357234 /nfs/dbraw/zinc/35/72/34/928357234.db2.gz TVLFULLJOHXKMH-VIFPVBQESA-N 1 1 307.372 -1.581 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C2 ZINC001434493681 928358639 /nfs/dbraw/zinc/35/86/39/928358639.db2.gz ZGFYGRGTVCFMIP-KFWWJZLASA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C2 ZINC001434493681 928358652 /nfs/dbraw/zinc/35/86/52/928358652.db2.gz ZGFYGRGTVCFMIP-KFWWJZLASA-N 1 1 316.398 -1.732 20 0 DAADMO C[N@@H+](CCS(N)(=O)=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001434484460 928358745 /nfs/dbraw/zinc/35/87/45/928358745.db2.gz OJVVMUNQAREIOD-JTQLQIEISA-N 1 1 313.445 -1.122 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)nn1 ZINC001434504592 928359643 /nfs/dbraw/zinc/35/96/43/928359643.db2.gz MHBXUABENSAGEW-NSHDSACASA-N 1 1 311.342 -1.225 20 0 DAADMO CCOC(=O)c1nn(C)cc1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434533631 928362477 /nfs/dbraw/zinc/36/24/77/928362477.db2.gz BCRLTHZDUQEUFS-UWVGGRQHSA-N 1 1 323.353 -1.385 20 0 DAADMO CN1CCN(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC001434566263 928364901 /nfs/dbraw/zinc/36/49/01/928364901.db2.gz HWTGBPIKXKZZHY-UHFFFAOYSA-N 1 1 320.459 -1.133 20 0 DAADMO CN1CCN(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC001434566263 928364914 /nfs/dbraw/zinc/36/49/14/928364914.db2.gz HWTGBPIKXKZZHY-UHFFFAOYSA-N 1 1 320.459 -1.133 20 0 DAADMO COC(=O)[C@H]1C[C@@H](S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001434560797 928366223 /nfs/dbraw/zinc/36/62/23/928366223.db2.gz JZSLEBGOEYHMMS-UMNHJUIQSA-N 1 1 306.384 -1.076 20 0 DAADMO C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@H]1C[N@H+](C)CCN1C ZINC001434636779 928375226 /nfs/dbraw/zinc/37/52/26/928375226.db2.gz WTOHCWQMUACGRB-DDHJBXDOSA-N 1 1 307.416 -1.700 20 0 DAADMO C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@H]1C[N@@H+](C)CCN1C ZINC001434636779 928375235 /nfs/dbraw/zinc/37/52/35/928375235.db2.gz WTOHCWQMUACGRB-DDHJBXDOSA-N 1 1 307.416 -1.700 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC(=O)N[C@@H](C)C2)CC1 ZINC001434760536 928375817 /nfs/dbraw/zinc/37/58/17/928375817.db2.gz DJGQQVLNLCXOKX-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001434759703 928377242 /nfs/dbraw/zinc/37/72/42/928377242.db2.gz PFDWIZUFBQTSDJ-NWDGAFQWSA-N 1 1 314.386 -1.855 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(C(N)=O)no1 ZINC001434787565 928380036 /nfs/dbraw/zinc/38/00/36/928380036.db2.gz HZWUYUGMJHMYDN-VIFPVBQESA-N 1 1 311.342 -1.019 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(C(N)=O)no1 ZINC001434787565 928380045 /nfs/dbraw/zinc/38/00/45/928380045.db2.gz HZWUYUGMJHMYDN-VIFPVBQESA-N 1 1 311.342 -1.019 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001434846776 928389186 /nfs/dbraw/zinc/38/91/86/928389186.db2.gz MPBTYWAGRHAQIG-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001436287931 928393611 /nfs/dbraw/zinc/39/36/11/928393611.db2.gz GKRNVRVJPUJYFF-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001436287931 928393629 /nfs/dbraw/zinc/39/36/29/928393629.db2.gz GKRNVRVJPUJYFF-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)COC)n1 ZINC001436442693 928398209 /nfs/dbraw/zinc/39/82/09/928398209.db2.gz XHJZJSGMKZMZMP-MRVPVSSYSA-N 1 1 311.342 -1.331 20 0 DAADMO Cn1ccc(CC(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001436450962 928398333 /nfs/dbraw/zinc/39/83/33/928398333.db2.gz MBJDGJHEOPZUJP-ZDUSSCGKSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1ccc(CC(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001436450962 928398345 /nfs/dbraw/zinc/39/83/45/928398345.db2.gz MBJDGJHEOPZUJP-ZDUSSCGKSA-N 1 1 323.397 -1.267 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001436499873 928398471 /nfs/dbraw/zinc/39/84/71/928398471.db2.gz HFBSRIHHDJCBEL-LLVKDONJSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001436465313 928399682 /nfs/dbraw/zinc/39/96/82/928399682.db2.gz XSBWHRVJEXQJFG-STQMWFEESA-N 1 1 311.386 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](N(CCO)CC(N)=O)C2)C1 ZINC001436457138 928399700 /nfs/dbraw/zinc/39/97/00/928399700.db2.gz IULDPIZDKBJUGL-QWHCGFSZSA-N 1 1 312.414 -1.291 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001436471648 928399962 /nfs/dbraw/zinc/39/99/62/928399962.db2.gz SVLXQLBJNBZVLN-CIQGVGRVSA-N 1 1 311.382 -1.351 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001436471648 928399978 /nfs/dbraw/zinc/39/99/78/928399978.db2.gz SVLXQLBJNBZVLN-CIQGVGRVSA-N 1 1 311.382 -1.351 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(CCO)CC(N)=O)C1 ZINC001436451502 928400172 /nfs/dbraw/zinc/40/01/72/928400172.db2.gz JUEFRSLZHKJRMX-STQMWFEESA-N 1 1 312.414 -1.149 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001436690645 928402276 /nfs/dbraw/zinc/40/22/76/928402276.db2.gz SEMGFHFCQKEFSJ-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001436690645 928402283 /nfs/dbraw/zinc/40/22/83/928402283.db2.gz SEMGFHFCQKEFSJ-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001436518378 928402319 /nfs/dbraw/zinc/40/23/19/928402319.db2.gz JFVAXXNVQZISGD-UHFFFAOYSA-N 1 1 309.374 -1.327 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001436503755 928403361 /nfs/dbraw/zinc/40/33/61/928403361.db2.gz UJEULLQDISXKKB-LBPRGKRZSA-N 1 1 315.370 -1.828 20 0 DAADMO CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001436673549 928403985 /nfs/dbraw/zinc/40/39/85/928403985.db2.gz NHJVDZGLBBJMLL-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001436706356 928405930 /nfs/dbraw/zinc/40/59/30/928405930.db2.gz RSMJHDPGZAJIBQ-CYBMUJFWSA-N 1 1 311.430 -1.453 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728377 928409202 /nfs/dbraw/zinc/40/92/02/928409202.db2.gz BZFIVORHBCKANS-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728377 928409208 /nfs/dbraw/zinc/40/92/08/928409208.db2.gz BZFIVORHBCKANS-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001436770028 928410486 /nfs/dbraw/zinc/41/04/86/928410486.db2.gz QRMWCDLPQPCFIL-GHMZBOCLSA-N 1 1 310.358 -1.390 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001436731711 928411215 /nfs/dbraw/zinc/41/12/15/928411215.db2.gz XHTITVIXGNTYDC-RKDXNWHRSA-N 1 1 321.403 -2.635 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001436731711 928411221 /nfs/dbraw/zinc/41/12/21/928411221.db2.gz XHTITVIXGNTYDC-RKDXNWHRSA-N 1 1 321.403 -2.635 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)NC[C@@H]1CCOC1 ZINC001436913521 928417873 /nfs/dbraw/zinc/41/78/73/928417873.db2.gz LMJKNUUTIFEFSS-DCAQKATOSA-N 1 1 322.369 -1.192 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)NC[C@@H]1CCOC1 ZINC001436913521 928417886 /nfs/dbraw/zinc/41/78/86/928417886.db2.gz LMJKNUUTIFEFSS-DCAQKATOSA-N 1 1 322.369 -1.192 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001436949877 928418483 /nfs/dbraw/zinc/41/84/83/928418483.db2.gz BMCGUYLGOUOJOD-DTORHVGOSA-N 1 1 317.371 -1.254 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001436999891 928420634 /nfs/dbraw/zinc/42/06/34/928420634.db2.gz VALBOHTXZUHSBU-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001436988524 928421711 /nfs/dbraw/zinc/42/17/11/928421711.db2.gz ANMLMGHGIKAWCR-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001436993850 928422128 /nfs/dbraw/zinc/42/21/28/928422128.db2.gz GLODMQKDJXARLV-NSHDSACASA-N 1 1 322.431 -1.797 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070225 928422934 /nfs/dbraw/zinc/42/29/34/928422934.db2.gz JUCKLINCZBIGDB-UVOCVTCTSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070225 928422940 /nfs/dbraw/zinc/42/29/40/928422940.db2.gz JUCKLINCZBIGDB-UVOCVTCTSA-N 1 1 315.395 -1.646 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001437033455 928423136 /nfs/dbraw/zinc/42/31/36/928423136.db2.gz KXDVWYXPAPDFJL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC001437033455 928423143 /nfs/dbraw/zinc/42/31/43/928423143.db2.gz KXDVWYXPAPDFJL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065656 928423177 /nfs/dbraw/zinc/42/31/77/928423177.db2.gz JGZYGYKNXOPVPL-LADJIXMOSA-N 1 1 312.370 -1.101 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065656 928423183 /nfs/dbraw/zinc/42/31/83/928423183.db2.gz JGZYGYKNXOPVPL-LADJIXMOSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001437075783 928423427 /nfs/dbraw/zinc/42/34/27/928423427.db2.gz NARKHEHVSGRIKX-NFGJRZLHSA-N 1 1 322.365 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001437075783 928423435 /nfs/dbraw/zinc/42/34/35/928423435.db2.gz NARKHEHVSGRIKX-NFGJRZLHSA-N 1 1 322.365 -1.347 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001437069485 928423607 /nfs/dbraw/zinc/42/36/07/928423607.db2.gz UFRRWJZRXYVSQW-PREPNJAASA-N 1 1 323.397 -1.371 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001437028695 928424065 /nfs/dbraw/zinc/42/40/65/928424065.db2.gz DOTQODATMBMIJI-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001437001391 928424246 /nfs/dbraw/zinc/42/42/46/928424246.db2.gz QZPOIZRLAJJMGC-GHMZBOCLSA-N 1 1 322.431 -1.751 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065655 928424281 /nfs/dbraw/zinc/42/42/81/928424281.db2.gz JGZYGYKNXOPVPL-APLZJWDSSA-N 1 1 312.370 -1.101 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001437065655 928424295 /nfs/dbraw/zinc/42/42/95/928424295.db2.gz JGZYGYKNXOPVPL-APLZJWDSSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001437067375 928424771 /nfs/dbraw/zinc/42/47/71/928424771.db2.gz BUNQUEREIGUQRY-HHHUOAJASA-N 1 1 323.397 -1.290 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001437033451 928425017 /nfs/dbraw/zinc/42/50/17/928425017.db2.gz KXDVWYXPAPDFJL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(C)C ZINC001437033451 928425025 /nfs/dbraw/zinc/42/50/25/928425025.db2.gz KXDVWYXPAPDFJL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 ZINC001437068404 928425081 /nfs/dbraw/zinc/42/50/81/928425081.db2.gz SXULWXIRUPBWBG-DZZVYXNESA-N 1 1 324.381 -1.221 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 ZINC001437068404 928425086 /nfs/dbraw/zinc/42/50/86/928425086.db2.gz SXULWXIRUPBWBG-DZZVYXNESA-N 1 1 324.381 -1.221 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001437143629 928429823 /nfs/dbraw/zinc/42/98/23/928429823.db2.gz HBWYRWFTHPJDKV-SSDOTTSWSA-N 1 1 301.372 -1.248 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001437135722 928429838 /nfs/dbraw/zinc/42/98/38/928429838.db2.gz SXVRHDQTBKVELJ-MRVPVSSYSA-N 1 1 303.388 -1.205 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001437143640 928430008 /nfs/dbraw/zinc/43/00/08/928430008.db2.gz HBWYRWFTHPJDKV-ZETCQYMHSA-N 1 1 301.372 -1.248 20 0 DAADMO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC(N)=O ZINC001437165990 928431957 /nfs/dbraw/zinc/43/19/57/928431957.db2.gz KMKIVQNORXXBOP-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ncnn1C ZINC001437161300 928433671 /nfs/dbraw/zinc/43/36/71/928433671.db2.gz BEHSJTAXWQXYAL-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ncnn1C ZINC001437197324 928434395 /nfs/dbraw/zinc/43/43/95/928434395.db2.gz QBSXOQIONMEJKY-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C(C)(C)C ZINC001437194900 928434832 /nfs/dbraw/zinc/43/48/32/928434832.db2.gz KGLHCDGFGUMOIF-IUCAKERBSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[NH2+]Cc1ccon1 ZINC001437210653 928434849 /nfs/dbraw/zinc/43/48/49/928434849.db2.gz KNXZRYDQXOTWNN-VIFPVBQESA-N 1 1 321.337 -1.020 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@@H](C)c1nnnn1C ZINC001437186216 928435303 /nfs/dbraw/zinc/43/53/03/928435303.db2.gz JSDMYGMVIQUXLK-ZJUUUORDSA-N 1 1 324.389 -2.203 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001437184044 928435659 /nfs/dbraw/zinc/43/56/59/928435659.db2.gz FINFXHORQNWSIA-SECBINFHSA-N 1 1 318.403 -1.932 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C(C)(C)C ZINC001437194898 928435761 /nfs/dbraw/zinc/43/57/61/928435761.db2.gz KGLHCDGFGUMOIF-BDAKNGLRSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@@H](C)c1nnnn1C ZINC001437186210 928435985 /nfs/dbraw/zinc/43/59/85/928435985.db2.gz JSDMYGMVIQUXLK-UWVGGRQHSA-N 1 1 324.389 -2.203 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001437251103 928437360 /nfs/dbraw/zinc/43/73/60/928437360.db2.gz YIOPZIARGRFKDA-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001437249148 928437576 /nfs/dbraw/zinc/43/75/76/928437576.db2.gz RWAIDJWJIPNZJF-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2nncn2C)c(=O)n1C ZINC001437242668 928437677 /nfs/dbraw/zinc/43/76/77/928437677.db2.gz FNNORBMVPALAEO-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1ncnn1C ZINC001437231436 928437775 /nfs/dbraw/zinc/43/77/75/928437775.db2.gz FYYANTSMPKVMON-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001437257545 928440410 /nfs/dbraw/zinc/44/04/10/928440410.db2.gz IPIPJOHOGHWLOM-VIFPVBQESA-N 1 1 303.388 -1.436 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnns1 ZINC001437262206 928441582 /nfs/dbraw/zinc/44/15/82/928441582.db2.gz YDPZGCAYMWCGGR-VXNVDRBHSA-N 1 1 319.412 -1.176 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437346103 928445867 /nfs/dbraw/zinc/44/58/67/928445867.db2.gz JNBAWOGFEGYKHH-MRVPVSSYSA-N 1 1 324.345 -2.059 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437346103 928445872 /nfs/dbraw/zinc/44/58/72/928445872.db2.gz JNBAWOGFEGYKHH-MRVPVSSYSA-N 1 1 324.345 -2.059 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001437348449 928445986 /nfs/dbraw/zinc/44/59/86/928445986.db2.gz LBJCTFQCBOZBMZ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001437348453 928446350 /nfs/dbraw/zinc/44/63/50/928446350.db2.gz LBJCTFQCBOZBMZ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001437355816 928446944 /nfs/dbraw/zinc/44/69/44/928446944.db2.gz XUVLLDRBMBCPRC-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001437355816 928446951 /nfs/dbraw/zinc/44/69/51/928446951.db2.gz XUVLLDRBMBCPRC-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437430810 928449632 /nfs/dbraw/zinc/44/96/32/928449632.db2.gz IZDFLQUNJAEINH-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437430810 928449639 /nfs/dbraw/zinc/44/96/39/928449639.db2.gz IZDFLQUNJAEINH-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC[C@@H]1CCOC1 ZINC001437462127 928451038 /nfs/dbraw/zinc/45/10/38/928451038.db2.gz HREABTOYDPCIFE-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC[C@H]1CCOC1 ZINC001437462133 928451240 /nfs/dbraw/zinc/45/12/40/928451240.db2.gz HREABTOYDPCIFE-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnc(C)cn1 ZINC001437432996 928452245 /nfs/dbraw/zinc/45/22/45/928452245.db2.gz ZFVJPPIKCHWRQL-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnc(C)cn1 ZINC001437432996 928452251 /nfs/dbraw/zinc/45/22/51/928452251.db2.gz ZFVJPPIKCHWRQL-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001437458850 928452296 /nfs/dbraw/zinc/45/22/96/928452296.db2.gz QMDKWNYTWANIJQ-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001437458850 928452305 /nfs/dbraw/zinc/45/23/05/928452305.db2.gz QMDKWNYTWANIJQ-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO CCCNC(=O)CN(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437447821 928452641 /nfs/dbraw/zinc/45/26/41/928452641.db2.gz HXBIYLCZTDRWGG-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCCNC(=O)CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437447821 928452650 /nfs/dbraw/zinc/45/26/50/928452650.db2.gz HXBIYLCZTDRWGG-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001437451226 928452702 /nfs/dbraw/zinc/45/27/02/928452702.db2.gz BNPLIIJZXKDGDR-VIFPVBQESA-N 1 1 300.363 -1.884 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001437458830 928452979 /nfs/dbraw/zinc/45/29/79/928452979.db2.gz QMDKWNYTWANIJQ-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001437458830 928452987 /nfs/dbraw/zinc/45/29/87/928452987.db2.gz QMDKWNYTWANIJQ-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001437466373 928454785 /nfs/dbraw/zinc/45/47/85/928454785.db2.gz OUIFNIYLEZZOMQ-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001437466373 928454790 /nfs/dbraw/zinc/45/47/90/928454790.db2.gz OUIFNIYLEZZOMQ-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO Cn1cc(Cl)c(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001437465791 928455095 /nfs/dbraw/zinc/45/50/95/928455095.db2.gz GULSEOJGQVKJHQ-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1cc(Cl)c(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001437465791 928455103 /nfs/dbraw/zinc/45/51/03/928455103.db2.gz GULSEOJGQVKJHQ-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO C[N@H+](CCNC(=O)c1cn2c(n1)COCC2)[C@@H]1CCNC1=O ZINC001437488080 928455473 /nfs/dbraw/zinc/45/54/73/928455473.db2.gz ZUKJDMCWRLWMDR-LLVKDONJSA-N 1 1 307.354 -1.037 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn2c(n1)COCC2)[C@@H]1CCNC1=O ZINC001437488080 928455480 /nfs/dbraw/zinc/45/54/80/928455480.db2.gz ZUKJDMCWRLWMDR-LLVKDONJSA-N 1 1 307.354 -1.037 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001437482099 928456556 /nfs/dbraw/zinc/45/65/56/928456556.db2.gz ODUMEWTVFCAFFQ-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001437482099 928456561 /nfs/dbraw/zinc/45/65/61/928456561.db2.gz ODUMEWTVFCAFFQ-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001437496111 928458854 /nfs/dbraw/zinc/45/88/54/928458854.db2.gz ZCGUENBPKODFHL-LLVKDONJSA-N 1 1 308.342 -1.207 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001437499468 928458922 /nfs/dbraw/zinc/45/89/22/928458922.db2.gz RCNPWEYZWYKYTC-QMMMGPOBSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001437499468 928458929 /nfs/dbraw/zinc/45/89/29/928458929.db2.gz RCNPWEYZWYKYTC-QMMMGPOBSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437532635 928461496 /nfs/dbraw/zinc/46/14/96/928461496.db2.gz PYEUHTYDWJIWSL-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437532635 928461505 /nfs/dbraw/zinc/46/15/05/928461505.db2.gz PYEUHTYDWJIWSL-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccnn1 ZINC001437538254 928462137 /nfs/dbraw/zinc/46/21/37/928462137.db2.gz JXEYVJAOJSETLG-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccnn1 ZINC001437538254 928462138 /nfs/dbraw/zinc/46/21/38/928462138.db2.gz JXEYVJAOJSETLG-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)Cn1cc[nH+]c1C ZINC001437564235 928462278 /nfs/dbraw/zinc/46/22/78/928462278.db2.gz VCEDGBJGOCVKRE-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@@H+](C)[C@@H]3CCNC3=O)nn21 ZINC001437548634 928462370 /nfs/dbraw/zinc/46/23/70/928462370.db2.gz BYJIRMCZEHUQSU-SNVBAGLBSA-N 1 1 317.353 -1.017 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@H+](C)[C@@H]3CCNC3=O)nn21 ZINC001437548634 928462373 /nfs/dbraw/zinc/46/23/73/928462373.db2.gz BYJIRMCZEHUQSU-SNVBAGLBSA-N 1 1 317.353 -1.017 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437542877 928462387 /nfs/dbraw/zinc/46/23/87/928462387.db2.gz WCMLBMYUDHZEMF-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(=O)NC ZINC001437625177 928464456 /nfs/dbraw/zinc/46/44/56/928464456.db2.gz FRXPBOIMCFYOQD-NSHDSACASA-N 1 1 323.401 -1.190 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(=O)NC ZINC001437625177 928464464 /nfs/dbraw/zinc/46/44/64/928464464.db2.gz FRXPBOIMCFYOQD-NSHDSACASA-N 1 1 323.401 -1.190 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001437619048 928464878 /nfs/dbraw/zinc/46/48/78/928464878.db2.gz NGJAMMYFNMFEDF-OUAUKWLOSA-N 1 1 314.386 -1.279 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ccccc1=O)CCN1CCNC1=O ZINC001437567214 928464990 /nfs/dbraw/zinc/46/49/90/928464990.db2.gz WSXYCUNZSIAZTD-UHFFFAOYSA-N 1 1 321.381 -1.079 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(OC)no1)CC(=O)NC(N)=O ZINC001437587118 928465160 /nfs/dbraw/zinc/46/51/60/928465160.db2.gz DRDCBORTEIEUPP-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(OC)no1)CC(=O)NC(N)=O ZINC001437587118 928465164 /nfs/dbraw/zinc/46/51/64/928465164.db2.gz DRDCBORTEIEUPP-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001437592049 928465329 /nfs/dbraw/zinc/46/53/29/928465329.db2.gz XNFAXTJFMPBQQZ-VIFPVBQESA-N 1 1 322.387 -1.918 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001437592049 928465336 /nfs/dbraw/zinc/46/53/36/928465336.db2.gz XNFAXTJFMPBQQZ-VIFPVBQESA-N 1 1 322.387 -1.918 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570688 928465933 /nfs/dbraw/zinc/46/59/33/928465933.db2.gz RIUOWUJFXUBSRK-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570688 928465949 /nfs/dbraw/zinc/46/59/49/928465949.db2.gz RIUOWUJFXUBSRK-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CC[N@H+](CCNC(=O)CC1(O)CCC1)CC(=O)NC(N)=O ZINC001437593199 928466533 /nfs/dbraw/zinc/46/65/33/928466533.db2.gz RQVFEHRCJBAYPM-UHFFFAOYSA-N 1 1 300.359 -1.076 20 0 DAADMO CC[N@@H+](CCNC(=O)CC1(O)CCC1)CC(=O)NC(N)=O ZINC001437593199 928466542 /nfs/dbraw/zinc/46/65/42/928466542.db2.gz RQVFEHRCJBAYPM-UHFFFAOYSA-N 1 1 300.359 -1.076 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437650185 928467490 /nfs/dbraw/zinc/46/74/90/928467490.db2.gz MGPJKIARMROJQI-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437650185 928467496 /nfs/dbraw/zinc/46/74/96/928467496.db2.gz MGPJKIARMROJQI-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](C)OC ZINC001437667284 928467881 /nfs/dbraw/zinc/46/78/81/928467881.db2.gz QJQIRMXVEGVQAL-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001437665402 928468204 /nfs/dbraw/zinc/46/82/04/928468204.db2.gz ZERQEQWYRUJBCT-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)CC(N)=O ZINC001437626660 928468409 /nfs/dbraw/zinc/46/84/09/928468409.db2.gz VQBXNKWBJDLBOR-UHFFFAOYSA-N 1 1 311.342 -2.379 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)CC(N)=O ZINC001437626660 928468419 /nfs/dbraw/zinc/46/84/19/928468419.db2.gz VQBXNKWBJDLBOR-UHFFFAOYSA-N 1 1 311.342 -2.379 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cncn1 ZINC001437656503 928468698 /nfs/dbraw/zinc/46/86/98/928468698.db2.gz YLNBLXVPKZTSBI-JTQLQIEISA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cncn1 ZINC001437656503 928468708 /nfs/dbraw/zinc/46/87/08/928468708.db2.gz YLNBLXVPKZTSBI-JTQLQIEISA-N 1 1 323.357 -1.556 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001437649437 928468727 /nfs/dbraw/zinc/46/87/27/928468727.db2.gz ZWJTUNHPHSXTLA-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cnon1 ZINC001437632029 928469268 /nfs/dbraw/zinc/46/92/68/928469268.db2.gz IGZQCJYKEYNEDY-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cnon1 ZINC001437632029 928469272 /nfs/dbraw/zinc/46/92/72/928469272.db2.gz IGZQCJYKEYNEDY-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001437644005 928469325 /nfs/dbraw/zinc/46/93/25/928469325.db2.gz YWOMVJZHJRCFJM-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001437674526 928469581 /nfs/dbraw/zinc/46/95/81/928469581.db2.gz AQUPZQBDTOZOHF-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCOC)C1 ZINC001437692936 928471061 /nfs/dbraw/zinc/47/10/61/928471061.db2.gz KDJQNAJQMNEYCO-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO COC[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707923 928471127 /nfs/dbraw/zinc/47/11/27/928471127.db2.gz YHTSKJOFJHRBSP-VHSXEESVSA-N 1 1 300.359 -1.098 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437698981 928471164 /nfs/dbraw/zinc/47/11/64/928471164.db2.gz AFJJOYYQHIQACE-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437698981 928471172 /nfs/dbraw/zinc/47/11/72/928471172.db2.gz AFJJOYYQHIQACE-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001437682305 928471640 /nfs/dbraw/zinc/47/16/40/928471640.db2.gz SUDIPWNVHADAEX-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001437682305 928471648 /nfs/dbraw/zinc/47/16/48/928471648.db2.gz SUDIPWNVHADAEX-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001437711084 928471893 /nfs/dbraw/zinc/47/18/93/928471893.db2.gz ZWEUTZSGISKLDE-VIFPVBQESA-N 1 1 308.342 -1.415 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437702264 928472059 /nfs/dbraw/zinc/47/20/59/928472059.db2.gz CQJWKBZPSPJROP-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO COCC(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001437701045 928472699 /nfs/dbraw/zinc/47/26/99/928472699.db2.gz XLAALDFIQBHCAG-LLVKDONJSA-N 1 1 312.370 -1.971 20 0 DAADMO COCC(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001437701045 928472706 /nfs/dbraw/zinc/47/27/06/928472706.db2.gz XLAALDFIQBHCAG-LLVKDONJSA-N 1 1 312.370 -1.971 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001437680821 928472721 /nfs/dbraw/zinc/47/27/21/928472721.db2.gz WDBGMUQWFXGGQT-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001437707721 928473065 /nfs/dbraw/zinc/47/30/65/928473065.db2.gz RQNZRCVQVGZDFP-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001437707721 928473071 /nfs/dbraw/zinc/47/30/71/928473071.db2.gz RQNZRCVQVGZDFP-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001437680055 928473091 /nfs/dbraw/zinc/47/30/91/928473091.db2.gz KKMHCJVRIIONMJ-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001437680055 928473101 /nfs/dbraw/zinc/47/31/01/928473101.db2.gz KKMHCJVRIIONMJ-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437688770 928473192 /nfs/dbraw/zinc/47/31/92/928473192.db2.gz PLVXDKUHMJMIMH-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)CN3CCOCC3)C2)C1=O ZINC001437704857 928473243 /nfs/dbraw/zinc/47/32/43/928473243.db2.gz MKVXYVNFCBTCJF-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001437698984 928473292 /nfs/dbraw/zinc/47/32/92/928473292.db2.gz AFJJOYYQHIQACE-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437698984 928473300 /nfs/dbraw/zinc/47/33/00/928473300.db2.gz AFJJOYYQHIQACE-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)CN3CCOCC3)C2)C1=O ZINC001437704855 928473355 /nfs/dbraw/zinc/47/33/55/928473355.db2.gz MKVXYVNFCBTCJF-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001437711524 928473443 /nfs/dbraw/zinc/47/34/43/928473443.db2.gz VLNOBRWGFDELAG-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001437711524 928473448 /nfs/dbraw/zinc/47/34/48/928473448.db2.gz VLNOBRWGFDELAG-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001437726794 928474833 /nfs/dbraw/zinc/47/48/33/928474833.db2.gz RMYLZPUSOYKCKD-NWDGAFQWSA-N 1 1 312.374 -1.491 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001437732633 928474942 /nfs/dbraw/zinc/47/49/42/928474942.db2.gz IFJSJXQPTGDNDI-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO C[C@]1(CC(=O)NC[C@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001437737212 928475225 /nfs/dbraw/zinc/47/52/25/928475225.db2.gz IEDJDQALNBYWGM-DGCLKSJQSA-N 1 1 319.427 -1.111 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCCNC1=O ZINC001437759017 928476218 /nfs/dbraw/zinc/47/62/18/928476218.db2.gz KXLSLICLIBNVIE-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001437713574 928476290 /nfs/dbraw/zinc/47/62/90/928476290.db2.gz YWKHWQNLMZZASD-AWEZNQCLSA-N 1 1 324.425 -1.011 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H](C)O ZINC001437758976 928476669 /nfs/dbraw/zinc/47/66/69/928476669.db2.gz KXURVFIQESORPV-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO NC(=O)NC(=O)CN1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001437741101 928476716 /nfs/dbraw/zinc/47/67/16/928476716.db2.gz IKTUHJOUGUBQCF-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)n1 ZINC001437711632 928476770 /nfs/dbraw/zinc/47/67/70/928476770.db2.gz AJYXLIONJZRFOX-LLVKDONJSA-N 1 1 321.385 -1.212 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)n1 ZINC001437711632 928476771 /nfs/dbraw/zinc/47/67/71/928476771.db2.gz AJYXLIONJZRFOX-LLVKDONJSA-N 1 1 321.385 -1.212 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H](C)C(N)=O ZINC001437765170 928477772 /nfs/dbraw/zinc/47/77/72/928477772.db2.gz CBBISRHXBZATLT-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803536 928478254 /nfs/dbraw/zinc/47/82/54/928478254.db2.gz KABSHQMWPCSZEZ-GHMZBOCLSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803536 928478262 /nfs/dbraw/zinc/47/82/62/928478262.db2.gz KABSHQMWPCSZEZ-GHMZBOCLSA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001437820651 928478445 /nfs/dbraw/zinc/47/84/45/928478445.db2.gz QBYHJJXXCFZIFW-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001437820651 928478454 /nfs/dbraw/zinc/47/84/54/928478454.db2.gz QBYHJJXXCFZIFW-JTQLQIEISA-N 1 1 318.399 -1.995 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001437795874 928478515 /nfs/dbraw/zinc/47/85/15/928478515.db2.gz XBJWHMFBFONODE-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001437795874 928478520 /nfs/dbraw/zinc/47/85/20/928478520.db2.gz XBJWHMFBFONODE-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1CC1 ZINC001437805340 928478622 /nfs/dbraw/zinc/47/86/22/928478622.db2.gz FNWZAAGYMONOBJ-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437820659 928478939 /nfs/dbraw/zinc/47/89/39/928478939.db2.gz QBYHJJXXCFZIFW-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437820659 928478945 /nfs/dbraw/zinc/47/89/45/928478945.db2.gz QBYHJJXXCFZIFW-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001437785977 928479026 /nfs/dbraw/zinc/47/90/26/928479026.db2.gz OQGGKFATYJEXLV-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001437785977 928479030 /nfs/dbraw/zinc/47/90/30/928479030.db2.gz OQGGKFATYJEXLV-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001437811300 928479399 /nfs/dbraw/zinc/47/93/99/928479399.db2.gz NFGNCJCUZUKNHG-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001437811300 928479407 /nfs/dbraw/zinc/47/94/07/928479407.db2.gz NFGNCJCUZUKNHG-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H](C)C(N)=O ZINC001437765172 928479495 /nfs/dbraw/zinc/47/94/95/928479495.db2.gz CBBISRHXBZATLT-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479680 /nfs/dbraw/zinc/47/96/80/928479680.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781093 928479684 /nfs/dbraw/zinc/47/96/84/928479684.db2.gz NEKGCNHSDQCFFK-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001437786846 928479709 /nfs/dbraw/zinc/47/97/09/928479709.db2.gz SNVXIGPOTAFIIB-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001437786846 928479712 /nfs/dbraw/zinc/47/97/12/928479712.db2.gz SNVXIGPOTAFIIB-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479828 /nfs/dbraw/zinc/47/98/28/928479828.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001437781091 928479833 /nfs/dbraw/zinc/47/98/33/928479833.db2.gz NEKGCNHSDQCFFK-CHWSQXEVSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)c1nnnn1C ZINC001437845644 928481412 /nfs/dbraw/zinc/48/14/12/928481412.db2.gz VZXWODYJXGQTOL-YUMQZZPRSA-N 1 1 324.345 -2.083 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC[C@@H]2CC[N@@H+](CCCO)C2)n1 ZINC001437914243 928484152 /nfs/dbraw/zinc/48/41/52/928484152.db2.gz CLBXYUHEXRNHJR-LLVKDONJSA-N 1 1 324.385 -1.412 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001437947506 928484475 /nfs/dbraw/zinc/48/44/75/928484475.db2.gz RCQUIIYFLXAMHU-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001437944819 928484890 /nfs/dbraw/zinc/48/48/90/928484890.db2.gz NYKMNEJDVQSCCH-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437975427 928486561 /nfs/dbraw/zinc/48/65/61/928486561.db2.gz CKEOOTSCNUMLQF-SECBINFHSA-N 1 1 323.357 -1.346 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437983887 928486759 /nfs/dbraw/zinc/48/67/59/928486759.db2.gz UDQYOMUWNLVTLV-IUCAKERBSA-N 1 1 323.357 -1.218 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001437976639 928486833 /nfs/dbraw/zinc/48/68/33/928486833.db2.gz MZBHCYSBCFSASO-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001437989586 928487717 /nfs/dbraw/zinc/48/77/17/928487717.db2.gz ZIXQMAMKDKCQRX-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001437981559 928487928 /nfs/dbraw/zinc/48/79/28/928487928.db2.gz RGRQHNDRUHODHT-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCNC(=O)C3CC3)C2)C1 ZINC001438045236 928490346 /nfs/dbraw/zinc/49/03/46/928490346.db2.gz STTQMBSASMICLX-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCNC(=O)C3CC3)C2)C1 ZINC001438045236 928490353 /nfs/dbraw/zinc/49/03/53/928490353.db2.gz STTQMBSASMICLX-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001438078178 928493278 /nfs/dbraw/zinc/49/32/78/928493278.db2.gz HKAHQRJQOPVJKH-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001438075518 928493797 /nfs/dbraw/zinc/49/37/97/928493797.db2.gz IYLLREYIUCDZCC-KWQFWETISA-N 1 1 300.359 -1.798 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(CC(=O)N2CCC2)C1 ZINC001438080557 928495884 /nfs/dbraw/zinc/49/58/84/928495884.db2.gz PUYATXMUBBYHME-UHFFFAOYSA-N 1 1 310.398 -1.259 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001438122228 928497509 /nfs/dbraw/zinc/49/75/09/928497509.db2.gz MRFPHVRYWNEPNF-MWLCHTKSSA-N 1 1 311.386 -1.431 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001438114534 928498039 /nfs/dbraw/zinc/49/80/39/928498039.db2.gz YOEOTIRKRVGILM-UHFFFAOYSA-N 1 1 310.398 -1.009 20 0 DAADMO Cc1nn(C)cc1C[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001438106898 928498552 /nfs/dbraw/zinc/49/85/52/928498552.db2.gz VYFPCRMNXRDOHK-UHFFFAOYSA-N 1 1 304.358 -1.037 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001438142273 928500221 /nfs/dbraw/zinc/50/02/21/928500221.db2.gz HGDKEESFVISFNJ-JTQLQIEISA-N 1 1 321.385 -1.222 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CN3CCOCC3=O)C2)C1=O ZINC001438127184 928501131 /nfs/dbraw/zinc/50/11/31/928501131.db2.gz FHXOOLCLMQTSJO-GFCCVEGCSA-N 1 1 324.381 -1.876 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC ZINC001438167144 928504322 /nfs/dbraw/zinc/50/43/22/928504322.db2.gz DJRSDAUBZHHCSE-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001438173033 928504865 /nfs/dbraw/zinc/50/48/65/928504865.db2.gz LMRPBNDRUUKXIM-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001438173033 928504870 /nfs/dbraw/zinc/50/48/70/928504870.db2.gz LMRPBNDRUUKXIM-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001438215036 928506330 /nfs/dbraw/zinc/50/63/30/928506330.db2.gz WCOHASBMYOXGEO-LLVKDONJSA-N 1 1 315.399 -1.377 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001438191313 928508109 /nfs/dbraw/zinc/50/81/09/928508109.db2.gz BYYYCLHHAXBKSE-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001438191313 928508121 /nfs/dbraw/zinc/50/81/21/928508121.db2.gz BYYYCLHHAXBKSE-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438211347 928508140 /nfs/dbraw/zinc/50/81/40/928508140.db2.gz HCPNBVNEXQJELL-GMTAPVOTSA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438250233 928510456 /nfs/dbraw/zinc/51/04/56/928510456.db2.gz UOODDZDNUSCYPI-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438250233 928510465 /nfs/dbraw/zinc/51/04/65/928510465.db2.gz UOODDZDNUSCYPI-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001438234651 928510717 /nfs/dbraw/zinc/51/07/17/928510717.db2.gz WMKLHRLGRTWZLE-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO CCN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001438258012 928511160 /nfs/dbraw/zinc/51/11/60/928511160.db2.gz HCGFRJFLEBECOY-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001438294977 928513365 /nfs/dbraw/zinc/51/33/65/928513365.db2.gz OZRLDLPGLRZMRZ-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CC[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCS(C)(=O)=O ZINC001438368824 928515665 /nfs/dbraw/zinc/51/56/65/928515665.db2.gz IRDILJGBOBCOSC-SECBINFHSA-N 1 1 303.388 -1.124 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001438561752 928522409 /nfs/dbraw/zinc/52/24/09/928522409.db2.gz BDBMAMUUSYBCSL-SNVBAGLBSA-N 1 1 308.404 -1.734 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001438561752 928522420 /nfs/dbraw/zinc/52/24/20/928522420.db2.gz BDBMAMUUSYBCSL-SNVBAGLBSA-N 1 1 308.404 -1.734 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001438559416 928523729 /nfs/dbraw/zinc/52/37/29/928523729.db2.gz WXQPLTPTQOIUQE-MRVPVSSYSA-N 1 1 319.387 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC001438573343 928524726 /nfs/dbraw/zinc/52/47/26/928524726.db2.gz TYBGWTOTJWLRIL-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC001438573343 928524738 /nfs/dbraw/zinc/52/47/38/928524738.db2.gz TYBGWTOTJWLRIL-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001438574601 928524808 /nfs/dbraw/zinc/52/48/08/928524808.db2.gz VSILRDLDUSMXQE-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001438574601 928524817 /nfs/dbraw/zinc/52/48/17/928524817.db2.gz VSILRDLDUSMXQE-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001438586217 928525237 /nfs/dbraw/zinc/52/52/37/928525237.db2.gz MRRLSGCQEGFTOY-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001438586217 928525250 /nfs/dbraw/zinc/52/52/50/928525250.db2.gz MRRLSGCQEGFTOY-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)c1=O ZINC001438571175 928525585 /nfs/dbraw/zinc/52/55/85/928525585.db2.gz ZUPNFYADLVRSJR-LLVKDONJSA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)c1=O ZINC001438571175 928525597 /nfs/dbraw/zinc/52/55/97/928525597.db2.gz ZUPNFYADLVRSJR-LLVKDONJSA-N 1 1 313.358 -2.219 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001438568621 928525916 /nfs/dbraw/zinc/52/59/16/928525916.db2.gz VADKZGNOHILUJO-ZDUSSCGKSA-N 1 1 301.387 -1.482 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001438568621 928525923 /nfs/dbraw/zinc/52/59/23/928525923.db2.gz VADKZGNOHILUJO-ZDUSSCGKSA-N 1 1 301.387 -1.482 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001438567534 928526333 /nfs/dbraw/zinc/52/63/33/928526333.db2.gz JVQBEINCSHKKEC-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001438567534 928526343 /nfs/dbraw/zinc/52/63/43/928526343.db2.gz JVQBEINCSHKKEC-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001438574614 928526367 /nfs/dbraw/zinc/52/63/67/928526367.db2.gz VSILRDLDUSMXQE-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001438574614 928526371 /nfs/dbraw/zinc/52/63/71/928526371.db2.gz VSILRDLDUSMXQE-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO NC(=O)NCCC(=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001438622879 928527909 /nfs/dbraw/zinc/52/79/09/928527909.db2.gz PNUCMKGWDAXJBF-NSHDSACASA-N 1 1 323.397 -1.142 20 0 DAADMO C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001438646633 928529123 /nfs/dbraw/zinc/52/91/23/928529123.db2.gz VITCNQNAIMTAHB-IUCAKERBSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001438706452 928530992 /nfs/dbraw/zinc/53/09/92/928530992.db2.gz YCIUGHHLLAIDOU-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001438682608 928531453 /nfs/dbraw/zinc/53/14/53/928531453.db2.gz ZMJSUOVJVQSOKQ-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001438647075 928531973 /nfs/dbraw/zinc/53/19/73/928531973.db2.gz URKLKACIVSVZIV-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCc1cn(C)nn1 ZINC001438736374 928533868 /nfs/dbraw/zinc/53/38/68/928533868.db2.gz ZIWQDVDTLQGYCB-SNVBAGLBSA-N 1 1 321.389 -1.092 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N(C)C ZINC001438869095 928536238 /nfs/dbraw/zinc/53/62/38/928536238.db2.gz WGJVCLJXAINNHS-GFCCVEGCSA-N 1 1 300.403 -1.205 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C ZINC001438869095 928536244 /nfs/dbraw/zinc/53/62/44/928536244.db2.gz WGJVCLJXAINNHS-GFCCVEGCSA-N 1 1 300.403 -1.205 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001438869434 928536359 /nfs/dbraw/zinc/53/63/59/928536359.db2.gz BDQDDPLLXPLJKA-SSDOTTSWSA-N 1 1 301.303 -2.320 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001438869434 928536365 /nfs/dbraw/zinc/53/63/65/928536365.db2.gz BDQDDPLLXPLJKA-SSDOTTSWSA-N 1 1 301.303 -2.320 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001438866487 928536754 /nfs/dbraw/zinc/53/67/54/928536754.db2.gz RYUGGKFSUSUZDS-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001438838199 928536795 /nfs/dbraw/zinc/53/67/95/928536795.db2.gz IDEHQGNPVCQJMZ-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001438838199 928536798 /nfs/dbraw/zinc/53/67/98/928536798.db2.gz IDEHQGNPVCQJMZ-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001438869053 928537702 /nfs/dbraw/zinc/53/77/02/928537702.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001438869053 928537712 /nfs/dbraw/zinc/53/77/12/928537712.db2.gz VVCZQYYLAMRBQN-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CCNS(C)(=O)=O ZINC001438874108 928537756 /nfs/dbraw/zinc/53/77/56/928537756.db2.gz PLZWXSMBTVVASN-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCNS(C)(=O)=O ZINC001438874108 928537764 /nfs/dbraw/zinc/53/77/64/928537764.db2.gz PLZWXSMBTVVASN-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001438843193 928537812 /nfs/dbraw/zinc/53/78/12/928537812.db2.gz GFQBRLVAPJHJLD-UHFFFAOYSA-N 1 1 310.358 -1.271 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cccn1 ZINC001438843193 928537818 /nfs/dbraw/zinc/53/78/18/928537818.db2.gz GFQBRLVAPJHJLD-UHFFFAOYSA-N 1 1 310.358 -1.271 20 0 DAADMO CN(CC[N@@H+](C)CCn1cccn1)C(=O)CN1CCNC(=O)C1 ZINC001438902750 928539198 /nfs/dbraw/zinc/53/91/98/928539198.db2.gz VBDHHRXPXUJALJ-UHFFFAOYSA-N 1 1 322.413 -1.295 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001438879801 928540135 /nfs/dbraw/zinc/54/01/35/928540135.db2.gz XNMHDSBEACXJHK-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001438879801 928540146 /nfs/dbraw/zinc/54/01/46/928540146.db2.gz XNMHDSBEACXJHK-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001438930164 928540317 /nfs/dbraw/zinc/54/03/17/928540317.db2.gz CJPFEFCWLKEEIK-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001438930164 928540326 /nfs/dbraw/zinc/54/03/26/928540326.db2.gz CJPFEFCWLKEEIK-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438926603 928540568 /nfs/dbraw/zinc/54/05/68/928540568.db2.gz DIYWJUGDWJBBOS-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001438926603 928540573 /nfs/dbraw/zinc/54/05/73/928540573.db2.gz DIYWJUGDWJBBOS-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001438943740 928541025 /nfs/dbraw/zinc/54/10/25/928541025.db2.gz ZRNYKNOFZNCIOJ-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001438943740 928541033 /nfs/dbraw/zinc/54/10/33/928541033.db2.gz ZRNYKNOFZNCIOJ-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CCS(=O)(=O)NC ZINC001438876025 928541484 /nfs/dbraw/zinc/54/14/84/928541484.db2.gz LASUCXHCIJNUDR-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCS(=O)(=O)NC ZINC001438876025 928541492 /nfs/dbraw/zinc/54/14/92/928541492.db2.gz LASUCXHCIJNUDR-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001438893941 928541768 /nfs/dbraw/zinc/54/17/68/928541768.db2.gz HGFWWKNPFITZTB-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001438893941 928541774 /nfs/dbraw/zinc/54/17/74/928541774.db2.gz HGFWWKNPFITZTB-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001438901453 928542119 /nfs/dbraw/zinc/54/21/19/928542119.db2.gz ZXBAWZRWNVAYEC-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccnnc1 ZINC001438922752 928542213 /nfs/dbraw/zinc/54/22/13/928542213.db2.gz UYQTWCIPTJYHGG-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccnnc1 ZINC001438922752 928542221 /nfs/dbraw/zinc/54/22/21/928542221.db2.gz UYQTWCIPTJYHGG-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001438956820 928543086 /nfs/dbraw/zinc/54/30/86/928543086.db2.gz MOWNRDQAUVDKQY-QWRGUYRKSA-N 1 1 312.374 -1.171 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001438957985 928543456 /nfs/dbraw/zinc/54/34/56/928543456.db2.gz QAQVSEFMXLIJKV-KCJUWKMLSA-N 1 1 324.385 -1.227 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001438956817 928543882 /nfs/dbraw/zinc/54/38/82/928543882.db2.gz MOWNRDQAUVDKQY-MNOVXSKESA-N 1 1 312.374 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)no1 ZINC001438953144 928544545 /nfs/dbraw/zinc/54/45/45/928544545.db2.gz AGWRDUUQAOIBQW-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]n1 ZINC001438968056 928546297 /nfs/dbraw/zinc/54/62/97/928546297.db2.gz DJZPMZLWGJTRSA-SCZZXKLOSA-N 1 1 322.373 -1.063 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)o1 ZINC001438963479 928546804 /nfs/dbraw/zinc/54/68/04/928546804.db2.gz UDSBXZMTGVBOSI-VIFPVBQESA-N 1 1 309.330 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]n1 ZINC001438968065 928547079 /nfs/dbraw/zinc/54/70/79/928547079.db2.gz DJZPMZLWGJTRSA-WCBMZHEXSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COCCO2)nc1 ZINC001438966490 928547307 /nfs/dbraw/zinc/54/73/07/928547307.db2.gz CGOVUYHKRSUTOD-RYUDHWBXSA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)co1 ZINC001438970321 928551385 /nfs/dbraw/zinc/55/13/85/928551385.db2.gz MVVUHASOHQWGRK-CHWSQXEVSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)co1 ZINC001438970333 928551431 /nfs/dbraw/zinc/55/14/31/928551431.db2.gz MVVUHASOHQWGRK-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001438980543 928553121 /nfs/dbraw/zinc/55/31/21/928553121.db2.gz YWQITIPGCJWECM-SCZZXKLOSA-N 1 1 313.362 -2.184 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)nn1 ZINC001438974993 928553731 /nfs/dbraw/zinc/55/37/31/928553731.db2.gz NLLCGZCDVQKYRE-NSHDSACASA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001438977145 928554045 /nfs/dbraw/zinc/55/40/45/928554045.db2.gz YXQSCOWUEDQHRP-JTQLQIEISA-N 1 1 308.346 -1.638 20 0 DAADMO CSC[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001438979162 928554279 /nfs/dbraw/zinc/55/42/79/928554279.db2.gz GHBAWLZLSISLQZ-IUCAKERBSA-N 1 1 302.404 -1.224 20 0 DAADMO CSC[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001438979160 928554612 /nfs/dbraw/zinc/55/46/12/928554612.db2.gz GHBAWLZLSISLQZ-DTWKUNHWSA-N 1 1 302.404 -1.224 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cncnc2)n1 ZINC001438982166 928555974 /nfs/dbraw/zinc/55/59/74/928555974.db2.gz KJUNQZHDYUEZHB-LBPRGKRZSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)COC(C)(C)C ZINC001438982833 928556023 /nfs/dbraw/zinc/55/60/23/928556023.db2.gz LDLNODSLWXELQA-VIFPVBQESA-N 1 1 300.363 -1.408 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001438988143 928558572 /nfs/dbraw/zinc/55/85/72/928558572.db2.gz ZYTBRAMPLNXORL-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nonc2C)n1 ZINC001438986445 928558862 /nfs/dbraw/zinc/55/88/62/928558862.db2.gz SVCOGKUROBJGCE-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2nonc2C)o1 ZINC001438987017 928559682 /nfs/dbraw/zinc/55/96/82/928559682.db2.gz TVCHHVHTZRGRSX-SECBINFHSA-N 1 1 310.314 -1.121 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc3n2CCC3)nn1 ZINC001438991598 928561997 /nfs/dbraw/zinc/56/19/97/928561997.db2.gz KMADIUGVBPGBPT-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001438991182 928562183 /nfs/dbraw/zinc/56/21/83/928562183.db2.gz HFAUUXBLLQEZRD-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001438993943 928563640 /nfs/dbraw/zinc/56/36/40/928563640.db2.gz ADGIAWUOBBEBHP-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001438993944 928563702 /nfs/dbraw/zinc/56/37/02/928563702.db2.gz ADGIAWUOBBEBHP-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438994792 928563915 /nfs/dbraw/zinc/56/39/15/928563915.db2.gz NCPCECFOICGWNE-VHSXEESVSA-N 1 1 316.383 -1.090 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001438993531 928563934 /nfs/dbraw/zinc/56/39/34/928563934.db2.gz BFBMJNMRBVSBAE-MNOVXSKESA-N 1 1 311.390 -1.739 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001438993974 928564948 /nfs/dbraw/zinc/56/49/48/928564948.db2.gz AIBSNKAGZQQIHW-NXEZZACHSA-N 1 1 312.370 -1.414 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)nn1 ZINC001438996910 928566425 /nfs/dbraw/zinc/56/64/25/928566425.db2.gz WQZDTANBDBFGDK-SNVBAGLBSA-N 1 1 307.314 -1.809 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2ccnn2C)n1 ZINC001438998761 928566527 /nfs/dbraw/zinc/56/65/27/928566527.db2.gz QKAAOMRDTAJAMV-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C1CC1 ZINC001438997312 928567081 /nfs/dbraw/zinc/56/70/81/928567081.db2.gz OTUUURGKYJACHK-LBPRGKRZSA-N 1 1 324.385 -1.750 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)CC1=O ZINC001439001384 928567286 /nfs/dbraw/zinc/56/72/86/928567286.db2.gz VSIPNYYGBGUKSF-NXEZZACHSA-N 1 1 310.358 -2.140 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001439005873 928569060 /nfs/dbraw/zinc/56/90/60/928569060.db2.gz DAISPNVPJWSVIH-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001439006305 928569505 /nfs/dbraw/zinc/56/95/05/928569505.db2.gz ZLSBBNFARQQSPE-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001439002443 928569753 /nfs/dbraw/zinc/56/97/53/928569753.db2.gz WYNLGFDCSOGFOM-GHMZBOCLSA-N 1 1 307.354 -1.478 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001439009586 928571105 /nfs/dbraw/zinc/57/11/05/928571105.db2.gz OTGISGBKBJZOEF-LLVKDONJSA-N 1 1 318.399 -1.579 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001439013193 928574461 /nfs/dbraw/zinc/57/44/61/928574461.db2.gz VGFCAAIBUYEZAX-VIFPVBQESA-N 1 1 321.341 -1.208 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cncnc2)n1 ZINC001439013258 928575410 /nfs/dbraw/zinc/57/54/10/928575410.db2.gz VOPYWQDKYJBMEV-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001439012929 928575507 /nfs/dbraw/zinc/57/55/07/928575507.db2.gz KRVIFBHYNSYFAX-UWVGGRQHSA-N 1 1 324.385 -1.621 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O ZINC001439011769 928575577 /nfs/dbraw/zinc/57/55/77/928575577.db2.gz SCHNRDUBLSYNCM-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO Cc1ncccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001439019400 928576994 /nfs/dbraw/zinc/57/69/94/928576994.db2.gz VHYGGYIGULBTAF-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)[nH]1 ZINC001439014089 928577251 /nfs/dbraw/zinc/57/72/51/928577251.db2.gz PGBMSALQSKCCNV-RKDXNWHRSA-N 1 1 311.346 -2.297 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)[nH]1 ZINC001439016787 928577615 /nfs/dbraw/zinc/57/76/15/928577615.db2.gz QMNZHWNFTSSODV-BXKDBHETSA-N 1 1 301.322 -1.192 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001439015339 928578333 /nfs/dbraw/zinc/57/83/33/928578333.db2.gz JOFZOMAUGKTRCA-JTQLQIEISA-N 1 1 323.357 -1.294 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncc(C2CC2)o1)[C@H]1CNC(=O)N1 ZINC001439020492 928579230 /nfs/dbraw/zinc/57/92/30/928579230.db2.gz AFBNJOMNDHKAOZ-NXEZZACHSA-N 1 1 323.353 -1.200 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001439020301 928579408 /nfs/dbraw/zinc/57/94/08/928579408.db2.gz JVEYGELINVXELQ-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001439024491 928579478 /nfs/dbraw/zinc/57/94/78/928579478.db2.gz CHUPMXDQBKAUTC-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)c(C)o1 ZINC001439020592 928579909 /nfs/dbraw/zinc/57/99/09/928579909.db2.gz AZXPGSIWCLIFMY-KOLCDFICSA-N 1 1 311.342 -1.460 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)c(C)o1 ZINC001439020591 928581060 /nfs/dbraw/zinc/58/10/60/928581060.db2.gz AZXPGSIWCLIFMY-GXSJLCMTSA-N 1 1 311.342 -1.460 20 0 DAADMO Cc1nocc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001439026563 928582124 /nfs/dbraw/zinc/58/21/24/928582124.db2.gz OPDYJLRQWWCAOT-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001439025815 928582338 /nfs/dbraw/zinc/58/23/38/928582338.db2.gz HSSVEKAKMOCXFA-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001439025814 928582449 /nfs/dbraw/zinc/58/24/49/928582449.db2.gz HSSVEKAKMOCXFA-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(C)CCOCC1 ZINC001439037354 928584647 /nfs/dbraw/zinc/58/46/47/928584647.db2.gz YVQVVYGQCYVILW-SNVBAGLBSA-N 1 1 312.374 -1.407 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n(C)n1 ZINC001439034989 928585023 /nfs/dbraw/zinc/58/50/23/928585023.db2.gz PEMZXWZEAXDWCG-LBPRGKRZSA-N 1 1 321.385 -1.009 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001439037102 928586228 /nfs/dbraw/zinc/58/62/28/928586228.db2.gz VOYRVJAIHQLEOP-NSHDSACASA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001439037102 928586238 /nfs/dbraw/zinc/58/62/38/928586238.db2.gz VOYRVJAIHQLEOP-NSHDSACASA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001439036534 928586441 /nfs/dbraw/zinc/58/64/41/928586441.db2.gz FKWMPYGJAUTNJL-JTQLQIEISA-N 1 1 310.358 -1.964 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439037611 928587786 /nfs/dbraw/zinc/58/77/86/928587786.db2.gz ZUKBXYZLMMGOIF-DTWKUNHWSA-N 1 1 311.346 -2.555 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccncn1 ZINC001439039868 928588857 /nfs/dbraw/zinc/58/88/57/928588857.db2.gz LNUQDNXSSKUOMX-SNVBAGLBSA-N 1 1 320.357 -1.246 20 0 DAADMO CCn1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001439040906 928589386 /nfs/dbraw/zinc/58/93/86/928589386.db2.gz FMFOXAIRIMIPIQ-YPMHNXCESA-N 1 1 310.402 -1.184 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1cnnn1C)[NH+](C)C ZINC001439044391 928590505 /nfs/dbraw/zinc/59/05/05/928590505.db2.gz MJWRAZZBGHZPTA-QWHCGFSZSA-N 1 1 312.418 -1.032 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001439047584 928591197 /nfs/dbraw/zinc/59/11/97/928591197.db2.gz SDXJNGGLSMUFKY-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cccnn1)c1nnnn1C ZINC001439046396 928591330 /nfs/dbraw/zinc/59/13/30/928591330.db2.gz WPQWDXGLGDVYQD-DTWKUNHWSA-N 1 1 306.330 -1.558 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001439044492 928592460 /nfs/dbraw/zinc/59/24/60/928592460.db2.gz UNKLSZVCMPTRJI-UWVGGRQHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001439044492 928592466 /nfs/dbraw/zinc/59/24/66/928592466.db2.gz UNKLSZVCMPTRJI-UWVGGRQHSA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001439050052 928594130 /nfs/dbraw/zinc/59/41/30/928594130.db2.gz DDEKPVRWLZAPRP-LLVKDONJSA-N 1 1 322.373 -1.628 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)n2)n1 ZINC001439050589 928594251 /nfs/dbraw/zinc/59/42/51/928594251.db2.gz ZWEDJQWTVDFJPM-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)n1 ZINC001439055339 928594575 /nfs/dbraw/zinc/59/45/75/928594575.db2.gz SLEDPXRPYYFDDM-LLVKDONJSA-N 1 1 308.346 -1.844 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCN1CCCC1=O ZINC001439049881 928594729 /nfs/dbraw/zinc/59/47/29/928594729.db2.gz BBMDDMNVKMXYJK-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)n2)n1 ZINC001439050590 928595145 /nfs/dbraw/zinc/59/51/45/928595145.db2.gz ZWEDJQWTVDFJPM-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001439076232 928596024 /nfs/dbraw/zinc/59/60/24/928596024.db2.gz QMKNHIAQURGSQD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)[C@H]1CCc2nncn2C1 ZINC001439062909 928596253 /nfs/dbraw/zinc/59/62/53/928596253.db2.gz XRXOFLOVWWWJPO-GXSJLCMTSA-N 1 1 321.341 -1.510 20 0 DAADMO CCn1cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001439059555 928596462 /nfs/dbraw/zinc/59/64/62/928596462.db2.gz QMSWEGDEPFAXFX-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1CCF ZINC001439086828 928598925 /nfs/dbraw/zinc/59/89/25/928598925.db2.gz LTRQVECUADOBNM-SECBINFHSA-N 1 1 300.338 -1.022 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1ccn(C)c(=O)c1 ZINC001439131801 928601404 /nfs/dbraw/zinc/60/14/04/928601404.db2.gz SLPHHJXVDDMYPK-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001439139575 928602166 /nfs/dbraw/zinc/60/21/66/928602166.db2.gz QLUXEUOVMDZPAI-NXEZZACHSA-N 1 1 309.374 -1.084 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNCc2nnn(C)n2)C1 ZINC001439180805 928604533 /nfs/dbraw/zinc/60/45/33/928604533.db2.gz KLFHDNIDHQMRPY-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNCc2nnn(C)n2)C1 ZINC001439180805 928604535 /nfs/dbraw/zinc/60/45/35/928604535.db2.gz KLFHDNIDHQMRPY-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](C[NH2+]Cc1nc(C2CC2)nn1C)NC(=O)Cn1cnnn1 ZINC001439189851 928604633 /nfs/dbraw/zinc/60/46/33/928604633.db2.gz VETDKPCDVXINFL-VIFPVBQESA-N 1 1 319.373 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001439184163 928604743 /nfs/dbraw/zinc/60/47/43/928604743.db2.gz XEXIPFLHDMUTPJ-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001439238670 928606479 /nfs/dbraw/zinc/60/64/79/928606479.db2.gz REIQVWPGLUDVGG-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439222656 928606516 /nfs/dbraw/zinc/60/65/16/928606516.db2.gz IYABPJXVQBCRAQ-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1cc(=O)n(C)cn1 ZINC001439224139 928606582 /nfs/dbraw/zinc/60/65/82/928606582.db2.gz OLVXPTRKKWUVRH-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001439220803 928607481 /nfs/dbraw/zinc/60/74/81/928607481.db2.gz JVSPSBJBHRSMAO-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001439213278 928607708 /nfs/dbraw/zinc/60/77/08/928607708.db2.gz IKHFBHCGQHNZET-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001439221957 928608397 /nfs/dbraw/zinc/60/83/97/928608397.db2.gz ULIBNZFDMRFFIN-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CS(=O)(=O)N(C)C ZINC001439271409 928609368 /nfs/dbraw/zinc/60/93/68/928609368.db2.gz SUDZVGMSZLDMTL-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001439271402 928611507 /nfs/dbraw/zinc/61/15/07/928611507.db2.gz SHOUIWDURBKHAK-QMMMGPOBSA-N 1 1 319.391 -2.304 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccnn1C ZINC001439332426 928613158 /nfs/dbraw/zinc/61/31/58/928613158.db2.gz OTWOAPITRAHQQO-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccnn1C ZINC001439332426 928613166 /nfs/dbraw/zinc/61/31/66/928613166.db2.gz OTWOAPITRAHQQO-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001439326839 928613217 /nfs/dbraw/zinc/61/32/17/928613217.db2.gz CJADTIFBTZUKLL-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001439326839 928613222 /nfs/dbraw/zinc/61/32/22/928613222.db2.gz CJADTIFBTZUKLL-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CCCS(C)(=O)=O ZINC001439296889 928613252 /nfs/dbraw/zinc/61/32/52/928613252.db2.gz KURKEICPGTUMDA-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCCS(C)(=O)=O ZINC001439296889 928613261 /nfs/dbraw/zinc/61/32/61/928613261.db2.gz KURKEICPGTUMDA-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001439322665 928614051 /nfs/dbraw/zinc/61/40/51/928614051.db2.gz UVJWPHHJEPXYOD-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001439322665 928614056 /nfs/dbraw/zinc/61/40/56/928614056.db2.gz UVJWPHHJEPXYOD-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001439295107 928614248 /nfs/dbraw/zinc/61/42/48/928614248.db2.gz BTICMYBMOSIKII-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCS(C)(=O)=O ZINC001439296887 928614458 /nfs/dbraw/zinc/61/44/58/928614458.db2.gz KURKEICPGTUMDA-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCS(C)(=O)=O ZINC001439296887 928614462 /nfs/dbraw/zinc/61/44/62/928614462.db2.gz KURKEICPGTUMDA-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357154 928615895 /nfs/dbraw/zinc/61/58/95/928615895.db2.gz HCLWNDVULQHGQW-BDAKNGLRSA-N 1 1 323.419 -2.389 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357154 928615904 /nfs/dbraw/zinc/61/59/04/928615904.db2.gz HCLWNDVULQHGQW-BDAKNGLRSA-N 1 1 323.419 -2.389 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439335250 928616299 /nfs/dbraw/zinc/61/62/99/928616299.db2.gz VVZNWNTURXSVDR-NSHDSACASA-N 1 1 312.370 -1.634 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001439358634 928616509 /nfs/dbraw/zinc/61/65/09/928616509.db2.gz BBBFRNPOSLDRIE-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001439358634 928616513 /nfs/dbraw/zinc/61/65/13/928616513.db2.gz BBBFRNPOSLDRIE-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001439357861 928616612 /nfs/dbraw/zinc/61/66/12/928616612.db2.gz IOCXUHPNNBTBNK-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001439357861 928616618 /nfs/dbraw/zinc/61/66/18/928616618.db2.gz IOCXUHPNNBTBNK-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001439359733 928617028 /nfs/dbraw/zinc/61/70/28/928617028.db2.gz FFLZYNQLTCKSMJ-MRVPVSSYSA-N 1 1 319.391 -2.191 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001439359733 928617034 /nfs/dbraw/zinc/61/70/34/928617034.db2.gz FFLZYNQLTCKSMJ-MRVPVSSYSA-N 1 1 319.391 -2.191 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001439358629 928617330 /nfs/dbraw/zinc/61/73/30/928617330.db2.gz BBBFRNPOSLDRIE-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001439358629 928617337 /nfs/dbraw/zinc/61/73/37/928617337.db2.gz BBBFRNPOSLDRIE-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nnc[nH]1 ZINC001439384385 928618420 /nfs/dbraw/zinc/61/84/20/928618420.db2.gz NPLNBNQDRWAYAW-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ncn[nH]1 ZINC001439384385 928618432 /nfs/dbraw/zinc/61/84/32/928618432.db2.gz NPLNBNQDRWAYAW-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1ncn[nH]1 ZINC001439384385 928618446 /nfs/dbraw/zinc/61/84/46/928618446.db2.gz NPLNBNQDRWAYAW-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nc[nH]n1 ZINC001439384385 928618460 /nfs/dbraw/zinc/61/84/60/928618460.db2.gz NPLNBNQDRWAYAW-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)c1nc[nH]n1 ZINC001439384385 928618467 /nfs/dbraw/zinc/61/84/67/928618467.db2.gz NPLNBNQDRWAYAW-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001439386883 928618813 /nfs/dbraw/zinc/61/88/13/928618813.db2.gz FTVOBVNTFMOVME-NXEZZACHSA-N 1 1 313.362 -2.393 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001439395041 928619214 /nfs/dbraw/zinc/61/92/14/928619214.db2.gz CZNPJNPLCHTTLA-PSASIEDQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001439395041 928619219 /nfs/dbraw/zinc/61/92/19/928619219.db2.gz CZNPJNPLCHTTLA-PSASIEDQSA-N 1 1 301.391 -1.009 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001439391200 928619432 /nfs/dbraw/zinc/61/94/32/928619432.db2.gz XNFFPSMUNFRIRH-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001439391200 928619435 /nfs/dbraw/zinc/61/94/35/928619435.db2.gz XNFFPSMUNFRIRH-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001439383294 928619564 /nfs/dbraw/zinc/61/95/64/928619564.db2.gz MNYAEZLXLMTKSC-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001439383294 928619568 /nfs/dbraw/zinc/61/95/68/928619568.db2.gz MNYAEZLXLMTKSC-QMMMGPOBSA-N 1 1 312.330 -1.035 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001439468685 928621512 /nfs/dbraw/zinc/62/15/12/928621512.db2.gz DINAUMKGRCZPAI-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001439496657 928623385 /nfs/dbraw/zinc/62/33/85/928623385.db2.gz HDHRPQONJWOBCQ-VIFPVBQESA-N 1 1 310.362 -1.747 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001439477178 928624389 /nfs/dbraw/zinc/62/43/89/928624389.db2.gz YRDSUNRSADRUTR-NEPJUHHUSA-N 1 1 321.385 -1.036 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001439556489 928629030 /nfs/dbraw/zinc/62/90/30/928629030.db2.gz GKSNATUCQJJERW-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001439571028 928631117 /nfs/dbraw/zinc/63/11/17/928631117.db2.gz KFKMATOTSANKTB-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001439571019 928631998 /nfs/dbraw/zinc/63/19/98/928631998.db2.gz KFKMATOTSANKTB-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001439571031 928632472 /nfs/dbraw/zinc/63/24/72/928632472.db2.gz KFKMATOTSANKTB-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nncc1C[NH2+]C1(CNC(=O)CS(C)(=O)=O)CC1 ZINC001439591527 928634640 /nfs/dbraw/zinc/63/46/40/928634640.db2.gz CAROFFZUUBDZMJ-UHFFFAOYSA-N 1 1 301.372 -1.402 20 0 DAADMO Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)n1 ZINC001439656689 928636749 /nfs/dbraw/zinc/63/67/49/928636749.db2.gz SJMJKEWBDNOMSY-JTQLQIEISA-N 1 1 320.353 -1.243 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+]([C@H](C)COC)C1 ZINC001439730620 928638776 /nfs/dbraw/zinc/63/87/76/928638776.db2.gz BYRQZRZYJGAPMD-SECBINFHSA-N 1 1 308.404 -1.782 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439725024 928638978 /nfs/dbraw/zinc/63/89/78/928638978.db2.gz ICTOPPPCXKOIKN-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001439753049 928641128 /nfs/dbraw/zinc/64/11/28/928641128.db2.gz SWCIMRPOBYJWFL-CABZTGNLSA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)NC(N)=O ZINC001439821858 928642791 /nfs/dbraw/zinc/64/27/91/928642791.db2.gz SZKYWFXZVFPEMG-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)NC(N)=O ZINC001439821858 928642797 /nfs/dbraw/zinc/64/27/97/928642797.db2.gz SZKYWFXZVFPEMG-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)CS(=O)(=O)NC)CC1 ZINC001439807680 928643026 /nfs/dbraw/zinc/64/30/26/928643026.db2.gz XZSRNOFFGLAHQG-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001439765633 928643896 /nfs/dbraw/zinc/64/38/96/928643896.db2.gz OPWVTPVTDKRGQN-KOLCDFICSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001439839463 928645255 /nfs/dbraw/zinc/64/52/55/928645255.db2.gz UWNDJHZVOHRIJI-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001439839463 928645265 /nfs/dbraw/zinc/64/52/65/928645265.db2.gz UWNDJHZVOHRIJI-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848049 928645560 /nfs/dbraw/zinc/64/55/60/928645560.db2.gz IDXNELIZGWSMQA-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439827164 928645577 /nfs/dbraw/zinc/64/55/77/928645577.db2.gz HWVPSUCNEGSQCS-TZMCWYRMSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001439842682 928646573 /nfs/dbraw/zinc/64/65/73/928646573.db2.gz IAQRXPCUJIXLQS-GWCFXTLKSA-N 1 1 302.375 -1.497 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@H+](CCF)C1)C(N)=O ZINC001439843308 928646630 /nfs/dbraw/zinc/64/66/30/928646630.db2.gz AECRLGMDXMOTAC-GXFFZTMASA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CCF)C1)C(N)=O ZINC001439843308 928646637 /nfs/dbraw/zinc/64/66/37/928646637.db2.gz AECRLGMDXMOTAC-GXFFZTMASA-N 1 1 302.350 -1.083 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001439854082 928646746 /nfs/dbraw/zinc/64/67/46/928646746.db2.gz ZEPFGVUIBKYMIB-CQSZACIVSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001439854082 928646749 /nfs/dbraw/zinc/64/67/49/928646749.db2.gz ZEPFGVUIBKYMIB-CQSZACIVSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001439856089 928647125 /nfs/dbraw/zinc/64/71/25/928647125.db2.gz PFVLJBNAFLXKSY-CQSZACIVSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001439856089 928647129 /nfs/dbraw/zinc/64/71/29/928647129.db2.gz PFVLJBNAFLXKSY-CQSZACIVSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001439846548 928647181 /nfs/dbraw/zinc/64/71/81/928647181.db2.gz OHVKFVNVQJTSLB-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001439868638 928648849 /nfs/dbraw/zinc/64/88/49/928648849.db2.gz NLYAULFLIBTDFF-ZDUSSCGKSA-N 1 1 310.358 -2.044 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001439868638 928648862 /nfs/dbraw/zinc/64/88/62/928648862.db2.gz NLYAULFLIBTDFF-ZDUSSCGKSA-N 1 1 310.358 -2.044 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001439928370 928648890 /nfs/dbraw/zinc/64/88/90/928648890.db2.gz BSLOIPGANKMKIE-MFKMUULPSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860615 928649198 /nfs/dbraw/zinc/64/91/98/928649198.db2.gz ZIKPGXQGBZWESQ-ZANVPECISA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001439860615 928649205 /nfs/dbraw/zinc/64/92/05/928649205.db2.gz ZIKPGXQGBZWESQ-ZANVPECISA-N 1 1 310.358 -1.964 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001439977458 928650499 /nfs/dbraw/zinc/65/04/99/928650499.db2.gz FRIIYBOFKCONFD-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001439977458 928650501 /nfs/dbraw/zinc/65/05/01/928650501.db2.gz FRIIYBOFKCONFD-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001439972399 928650796 /nfs/dbraw/zinc/65/07/96/928650796.db2.gz ADZONFPVMVJZBB-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973622 928650811 /nfs/dbraw/zinc/65/08/11/928650811.db2.gz AOPQDUAWHYCFHX-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973622 928650816 /nfs/dbraw/zinc/65/08/16/928650816.db2.gz AOPQDUAWHYCFHX-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)N1CCOCC1 ZINC001439976665 928650970 /nfs/dbraw/zinc/65/09/70/928650970.db2.gz LGHLSPJDILZFNK-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)N1CCOCC1 ZINC001439976665 928650976 /nfs/dbraw/zinc/65/09/76/928650976.db2.gz LGHLSPJDILZFNK-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)o1 ZINC001439970356 928651067 /nfs/dbraw/zinc/65/10/67/928651067.db2.gz DNKMXBNULMQGCU-OQPBUACISA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)o1 ZINC001439970356 928651075 /nfs/dbraw/zinc/65/10/75/928651075.db2.gz DNKMXBNULMQGCU-OQPBUACISA-N 1 1 311.342 -1.653 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001439977455 928651139 /nfs/dbraw/zinc/65/11/39/928651139.db2.gz FRIIYBOFKCONFD-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001439977455 928651145 /nfs/dbraw/zinc/65/11/45/928651145.db2.gz FRIIYBOFKCONFD-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC001439976388 928651320 /nfs/dbraw/zinc/65/13/20/928651320.db2.gz DDHUIIPQCDQFSE-XJKSGUPXSA-N 1 1 324.425 -1.088 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccncc2)C1 ZINC001439968623 928651576 /nfs/dbraw/zinc/65/15/76/928651576.db2.gz IUOHDPMUISTLTA-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncc2)C1 ZINC001439968623 928651588 /nfs/dbraw/zinc/65/15/88/928651588.db2.gz IUOHDPMUISTLTA-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001439969248 928652069 /nfs/dbraw/zinc/65/20/69/928652069.db2.gz APNRCZRVHRFJGU-FZMZJTMJSA-N 1 1 304.387 -1.292 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NC2CC2)C1 ZINC001439976337 928652106 /nfs/dbraw/zinc/65/21/06/928652106.db2.gz DDHUIIPQCDQFSE-BBRMVZONSA-N 1 1 324.425 -1.088 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001439977557 928652329 /nfs/dbraw/zinc/65/23/29/928652329.db2.gz FNMZQOMNOCNUJA-IAQYHMDHSA-N 1 1 323.397 -1.350 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982996 928653445 /nfs/dbraw/zinc/65/34/45/928653445.db2.gz SOKZNVUFJKXUFV-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982996 928653453 /nfs/dbraw/zinc/65/34/53/928653453.db2.gz SOKZNVUFJKXUFV-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980388 928653617 /nfs/dbraw/zinc/65/36/17/928653617.db2.gz WBTMLJJCCGJKKH-SWLSCSKDSA-N 1 1 309.366 -1.225 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980388 928653623 /nfs/dbraw/zinc/65/36/23/928653623.db2.gz WBTMLJJCCGJKKH-SWLSCSKDSA-N 1 1 309.366 -1.225 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439981911 928653637 /nfs/dbraw/zinc/65/36/37/928653637.db2.gz OALGEHZFCOVXHP-OAHLLOKOSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439981911 928653640 /nfs/dbraw/zinc/65/36/40/928653640.db2.gz OALGEHZFCOVXHP-OAHLLOKOSA-N 1 1 323.397 -1.039 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001439979273 928653760 /nfs/dbraw/zinc/65/37/60/928653760.db2.gz XAODCJGASQTTPI-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001439979273 928653764 /nfs/dbraw/zinc/65/37/64/928653764.db2.gz XAODCJGASQTTPI-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982993 928653802 /nfs/dbraw/zinc/65/38/02/928653802.db2.gz SOKZNVUFJKXUFV-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982993 928653807 /nfs/dbraw/zinc/65/38/07/928653807.db2.gz SOKZNVUFJKXUFV-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ccn[nH]1 ZINC001439982412 928654394 /nfs/dbraw/zinc/65/43/94/928654394.db2.gz KYBXDLPJTKZLCX-BXUZGUMPSA-N 1 1 307.354 -1.145 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439981785 928654614 /nfs/dbraw/zinc/65/46/14/928654614.db2.gz ZOEKMHILJPLTNZ-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001439982923 928655396 /nfs/dbraw/zinc/65/53/96/928655396.db2.gz OOVJBNCPEDROOD-AWEZNQCLSA-N 1 1 309.370 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001439982923 928655403 /nfs/dbraw/zinc/65/54/03/928655403.db2.gz OOVJBNCPEDROOD-AWEZNQCLSA-N 1 1 309.370 -1.061 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccon1 ZINC001439981360 928655555 /nfs/dbraw/zinc/65/55/55/928655555.db2.gz KDFHACYWOBOUCO-AWEZNQCLSA-N 1 1 323.353 -1.134 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001439981016 928655607 /nfs/dbraw/zinc/65/56/07/928655607.db2.gz MVCSHTXCJYLDPJ-CYBMUJFWSA-N 1 1 323.357 -2.542 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001439981016 928655611 /nfs/dbraw/zinc/65/56/11/928655611.db2.gz MVCSHTXCJYLDPJ-CYBMUJFWSA-N 1 1 323.357 -2.542 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001439985599 928656710 /nfs/dbraw/zinc/65/67/10/928656710.db2.gz RTOILNQUWHJUJU-PELKAZGASA-N 1 1 302.331 -2.231 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001439985599 928656715 /nfs/dbraw/zinc/65/67/15/928656715.db2.gz RTOILNQUWHJUJU-PELKAZGASA-N 1 1 302.331 -2.231 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001439987956 928656825 /nfs/dbraw/zinc/65/68/25/928656825.db2.gz FBSVCUWQHUMKEH-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001439987956 928656831 /nfs/dbraw/zinc/65/68/31/928656831.db2.gz FBSVCUWQHUMKEH-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001439987509 928656937 /nfs/dbraw/zinc/65/69/37/928656937.db2.gz WJPONMYADKUEIA-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001439987509 928656943 /nfs/dbraw/zinc/65/69/43/928656943.db2.gz WJPONMYADKUEIA-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001439984536 928657321 /nfs/dbraw/zinc/65/73/21/928657321.db2.gz SMHFMZCMEMQSTL-BXUZGUMPSA-N 1 1 324.385 -1.472 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001439984536 928657330 /nfs/dbraw/zinc/65/73/30/928657330.db2.gz SMHFMZCMEMQSTL-BXUZGUMPSA-N 1 1 324.385 -1.472 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439984431 928657424 /nfs/dbraw/zinc/65/74/24/928657424.db2.gz PATTWZIPGACWMK-AWEZNQCLSA-N 1 1 314.386 -1.894 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439984431 928657430 /nfs/dbraw/zinc/65/74/30/928657430.db2.gz PATTWZIPGACWMK-AWEZNQCLSA-N 1 1 314.386 -1.894 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001439986124 928657900 /nfs/dbraw/zinc/65/79/00/928657900.db2.gz AKLIHDUMPNFNEK-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001439986124 928657907 /nfs/dbraw/zinc/65/79/07/928657907.db2.gz AKLIHDUMPNFNEK-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439987849 928658558 /nfs/dbraw/zinc/65/85/58/928658558.db2.gz HTYQXYDQYJTLDP-ZDUSSCGKSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439987849 928658562 /nfs/dbraw/zinc/65/85/62/928658562.db2.gz HTYQXYDQYJTLDP-ZDUSSCGKSA-N 1 1 323.357 -2.495 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987249 928658625 /nfs/dbraw/zinc/65/86/25/928658625.db2.gz UTIRCUBULGLXLF-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987249 928658628 /nfs/dbraw/zinc/65/86/28/928658628.db2.gz UTIRCUBULGLXLF-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001439993996 928659625 /nfs/dbraw/zinc/65/96/25/928659625.db2.gz ZGAKBYMZNGUPJX-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001439993996 928659634 /nfs/dbraw/zinc/65/96/34/928659634.db2.gz ZGAKBYMZNGUPJX-QMTHXVAHSA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001439996621 928660057 /nfs/dbraw/zinc/66/00/57/928660057.db2.gz DOYCJFHNSJERMT-IINYFYTJSA-N 1 1 324.385 -1.244 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001439995958 928660428 /nfs/dbraw/zinc/66/04/28/928660428.db2.gz BBLHHMDVRXDRMH-QMTHXVAHSA-N 1 1 309.370 -1.149 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001439995955 928660457 /nfs/dbraw/zinc/66/04/57/928660457.db2.gz BBLHHMDVRXDRMH-IINYFYTJSA-N 1 1 309.370 -1.149 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995241 928660629 /nfs/dbraw/zinc/66/06/29/928660629.db2.gz XGJZVHOMLDLUTP-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995241 928660637 /nfs/dbraw/zinc/66/06/37/928660637.db2.gz XGJZVHOMLDLUTP-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001439996998 928660731 /nfs/dbraw/zinc/66/07/31/928660731.db2.gz ZWNRAMYATIOCIC-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001439996626 928660866 /nfs/dbraw/zinc/66/08/66/928660866.db2.gz DOYCJFHNSJERMT-YGRLFVJLSA-N 1 1 324.385 -1.244 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001439991714 928661103 /nfs/dbraw/zinc/66/11/03/928661103.db2.gz RNLZSGOVFYJRFB-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001439991714 928661106 /nfs/dbraw/zinc/66/11/06/928661106.db2.gz RNLZSGOVFYJRFB-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001439997152 928661121 /nfs/dbraw/zinc/66/11/21/928661121.db2.gz CKPJEUQYDKMZQY-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001439997152 928661123 /nfs/dbraw/zinc/66/11/23/928661123.db2.gz CKPJEUQYDKMZQY-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001439996623 928661194 /nfs/dbraw/zinc/66/11/94/928661194.db2.gz DOYCJFHNSJERMT-QMTHXVAHSA-N 1 1 324.385 -1.244 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001439997142 928661211 /nfs/dbraw/zinc/66/12/11/928661211.db2.gz CKPJEUQYDKMZQY-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001439997142 928661215 /nfs/dbraw/zinc/66/12/15/928661215.db2.gz CKPJEUQYDKMZQY-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cn1C ZINC001439995260 928661248 /nfs/dbraw/zinc/66/12/48/928661248.db2.gz XHSDZXUKWFPOOX-HNNXBMFYSA-N 1 1 309.366 -1.147 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001440008438 928662512 /nfs/dbraw/zinc/66/25/12/928662512.db2.gz OIEBRNITTMJCAJ-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001440007857 928662799 /nfs/dbraw/zinc/66/27/99/928662799.db2.gz HAUBRKBZASYRCW-NOZJJQNGSA-N 1 1 313.358 -2.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001440007857 928662806 /nfs/dbraw/zinc/66/28/06/928662806.db2.gz HAUBRKBZASYRCW-NOZJJQNGSA-N 1 1 313.358 -2.691 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001440008495 928663002 /nfs/dbraw/zinc/66/30/02/928663002.db2.gz OFPALUWSQWYXJZ-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001440008495 928663005 /nfs/dbraw/zinc/66/30/05/928663005.db2.gz OFPALUWSQWYXJZ-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001439999386 928663089 /nfs/dbraw/zinc/66/30/89/928663089.db2.gz JVZAFWAHACFCIY-AWEZNQCLSA-N 1 1 324.385 -1.194 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001439999386 928663094 /nfs/dbraw/zinc/66/30/94/928663094.db2.gz JVZAFWAHACFCIY-AWEZNQCLSA-N 1 1 324.385 -1.194 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001440008520 928663158 /nfs/dbraw/zinc/66/31/58/928663158.db2.gz CGMJQVXJEXTFEE-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001440008520 928663161 /nfs/dbraw/zinc/66/31/61/928663161.db2.gz CGMJQVXJEXTFEE-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001440007950 928663182 /nfs/dbraw/zinc/66/31/82/928663182.db2.gz GIRGUFJQKBHRFT-RNCFNFMXSA-N 1 1 323.340 -1.044 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440000846 928663273 /nfs/dbraw/zinc/66/32/73/928663273.db2.gz OBHLWWMRAGECAI-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1cnon1 ZINC001440008451 928663280 /nfs/dbraw/zinc/66/32/80/928663280.db2.gz NSPBCTVNDRVASD-CQSZACIVSA-N 1 1 323.353 -1.141 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC001440000107 928663594 /nfs/dbraw/zinc/66/35/94/928663594.db2.gz NFSIUUMCEUJQBJ-DMEJVMROSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC001440000107 928663599 /nfs/dbraw/zinc/66/35/99/928663599.db2.gz NFSIUUMCEUJQBJ-DMEJVMROSA-N 1 1 323.393 -1.290 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001440008518 928663714 /nfs/dbraw/zinc/66/37/14/928663714.db2.gz CGMJQVXJEXTFEE-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001440008518 928663718 /nfs/dbraw/zinc/66/37/18/928663718.db2.gz CGMJQVXJEXTFEE-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001440006431 928663836 /nfs/dbraw/zinc/66/38/36/928663836.db2.gz YSBAOXGJCRDIBM-YPMHNXCESA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001440006431 928663839 /nfs/dbraw/zinc/66/38/39/928663839.db2.gz YSBAOXGJCRDIBM-YPMHNXCESA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001440006402 928664201 /nfs/dbraw/zinc/66/42/01/928664201.db2.gz YSBAOXGJCRDIBM-WCQYABFASA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001440006402 928664211 /nfs/dbraw/zinc/66/42/11/928664211.db2.gz YSBAOXGJCRDIBM-WCQYABFASA-N 1 1 320.411 -1.644 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001440020925 928668558 /nfs/dbraw/zinc/66/85/58/928668558.db2.gz GRAHKOXUGCYLGX-SWLSCSKDSA-N 1 1 309.366 -1.218 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001440022277 928668838 /nfs/dbraw/zinc/66/88/38/928668838.db2.gz PYBRVRJYHAMMGK-NSHDSACASA-N 1 1 311.379 -1.600 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001440022277 928668843 /nfs/dbraw/zinc/66/88/43/928668843.db2.gz PYBRVRJYHAMMGK-NSHDSACASA-N 1 1 311.379 -1.600 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440020951 928668864 /nfs/dbraw/zinc/66/88/64/928668864.db2.gz ITHOUDWKJYMDMJ-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440020951 928668871 /nfs/dbraw/zinc/66/88/71/928668871.db2.gz ITHOUDWKJYMDMJ-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001440022256 928669108 /nfs/dbraw/zinc/66/91/08/928669108.db2.gz PYBRVRJYHAMMGK-LLVKDONJSA-N 1 1 311.379 -1.600 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001440022256 928669117 /nfs/dbraw/zinc/66/91/17/928669117.db2.gz PYBRVRJYHAMMGK-LLVKDONJSA-N 1 1 311.379 -1.600 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)O1 ZINC001440019264 928669186 /nfs/dbraw/zinc/66/91/86/928669186.db2.gz SRYIBVFGQLHJEN-CWSCBRNRSA-N 1 1 303.334 -1.458 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)O1 ZINC001440019264 928669193 /nfs/dbraw/zinc/66/91/93/928669193.db2.gz SRYIBVFGQLHJEN-CWSCBRNRSA-N 1 1 303.334 -1.458 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440018817 928669260 /nfs/dbraw/zinc/66/92/60/928669260.db2.gz JIHGZIJXNSLRDE-ZDUSSCGKSA-N 1 1 313.333 -1.480 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440018817 928669268 /nfs/dbraw/zinc/66/92/68/928669268.db2.gz JIHGZIJXNSLRDE-ZDUSSCGKSA-N 1 1 313.333 -1.480 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001440021496 928669632 /nfs/dbraw/zinc/66/96/32/928669632.db2.gz IAUYNDPGHROXFZ-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001440021496 928669640 /nfs/dbraw/zinc/66/96/40/928669640.db2.gz IAUYNDPGHROXFZ-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001440020817 928669845 /nfs/dbraw/zinc/66/98/45/928669845.db2.gz SXVSMUKQYQUBBM-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440016388 928669901 /nfs/dbraw/zinc/66/99/01/928669901.db2.gz RWQJXQACPXGLMN-ZANVPECISA-N 1 1 308.342 -2.211 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440016388 928669907 /nfs/dbraw/zinc/66/99/07/928669907.db2.gz RWQJXQACPXGLMN-ZANVPECISA-N 1 1 308.342 -2.211 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001440021064 928669983 /nfs/dbraw/zinc/66/99/83/928669983.db2.gz JKCKAZSRKMDRJE-MEBBXXQBSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001440021064 928669988 /nfs/dbraw/zinc/66/99/88/928669988.db2.gz JKCKAZSRKMDRJE-MEBBXXQBSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001440021400 928670294 /nfs/dbraw/zinc/67/02/94/928670294.db2.gz HLGRUZRBMOALQA-OAHLLOKOSA-N 1 1 309.366 -1.216 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001440021782 928670410 /nfs/dbraw/zinc/67/04/10/928670410.db2.gz VKPBKBXBSBECFY-IINYFYTJSA-N 1 1 322.369 -2.121 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001440021782 928670417 /nfs/dbraw/zinc/67/04/17/928670417.db2.gz VKPBKBXBSBECFY-IINYFYTJSA-N 1 1 322.369 -2.121 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)C1=O ZINC001440023545 928670460 /nfs/dbraw/zinc/67/04/60/928670460.db2.gz NAGIIVGOYLCPEO-SMDDNHRTSA-N 1 1 322.369 -1.938 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440027918 928671478 /nfs/dbraw/zinc/67/14/78/928671478.db2.gz AHTQAPGFUWRUCA-SWLSCSKDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029098 928672231 /nfs/dbraw/zinc/67/22/31/928672231.db2.gz CVBKRNIKNSDSKX-HZMBPMFUSA-N 1 1 309.370 -1.438 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001440029098 928672238 /nfs/dbraw/zinc/67/22/38/928672238.db2.gz CVBKRNIKNSDSKX-HZMBPMFUSA-N 1 1 309.370 -1.438 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001440024892 928673245 /nfs/dbraw/zinc/67/32/45/928673245.db2.gz UAGZJEACCVDBEU-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001440024892 928673254 /nfs/dbraw/zinc/67/32/54/928673254.db2.gz UAGZJEACCVDBEU-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032618 928674408 /nfs/dbraw/zinc/67/44/08/928674408.db2.gz NIMGVHSAZCFCHN-QMTHXVAHSA-N 1 1 324.385 -1.826 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032618 928674410 /nfs/dbraw/zinc/67/44/10/928674410.db2.gz NIMGVHSAZCFCHN-QMTHXVAHSA-N 1 1 324.385 -1.826 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001440033285 928675255 /nfs/dbraw/zinc/67/52/55/928675255.db2.gz OPWIZLFJVGZVFQ-GXFFZTMASA-N 1 1 300.359 -1.925 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001440036521 928677222 /nfs/dbraw/zinc/67/72/22/928677222.db2.gz WCLXIKOOTIBMGU-CQSZACIVSA-N 1 1 308.338 -1.661 20 0 DAADMO Cc1nc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)co1 ZINC001440041978 928678618 /nfs/dbraw/zinc/67/86/18/928678618.db2.gz MCWBUPDHULTGTL-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1nc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001440041978 928678622 /nfs/dbraw/zinc/67/86/22/928678622.db2.gz MCWBUPDHULTGTL-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1oncc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001440041970 928678699 /nfs/dbraw/zinc/67/86/99/928678699.db2.gz MCULQWZQADIPSR-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1oncc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001440041970 928678706 /nfs/dbraw/zinc/67/87/06/928678706.db2.gz MCULQWZQADIPSR-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1ncoc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001440045432 928680493 /nfs/dbraw/zinc/68/04/93/928680493.db2.gz WATHLBJMAUWLHW-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1ncoc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001440045432 928680499 /nfs/dbraw/zinc/68/04/99/928680499.db2.gz WATHLBJMAUWLHW-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO CCO[C@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001440053578 928681566 /nfs/dbraw/zinc/68/15/66/928681566.db2.gz QSAUAMZRKMLAGT-GFCCVEGCSA-N 1 1 324.385 -1.349 20 0 DAADMO CN1CCN(CC(=O)NCC2(O)C[NH+](CC3CCC3)C2)CC1=O ZINC001440053708 928682141 /nfs/dbraw/zinc/68/21/41/928682141.db2.gz GBCXOMXXHZWOAB-UHFFFAOYSA-N 1 1 324.425 -1.277 20 0 DAADMO CCO[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001440053580 928682549 /nfs/dbraw/zinc/68/25/49/928682549.db2.gz QSAUAMZRKMLAGT-LBPRGKRZSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCC(=O)NC1 ZINC001440064413 928685543 /nfs/dbraw/zinc/68/55/43/928685543.db2.gz WCOTTZMXHSDXBI-NWDGAFQWSA-N 1 1 311.382 -1.288 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cn(C)nn3)C2)C1 ZINC001440079435 928687453 /nfs/dbraw/zinc/68/74/53/928687453.db2.gz WOBOMLWYBLNMOK-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001440084233 928690069 /nfs/dbraw/zinc/69/00/69/928690069.db2.gz JDUGNDUSXXQWGF-UHFFFAOYSA-N 1 1 312.414 -1.230 20 0 DAADMO NC(=O)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001440085012 928690544 /nfs/dbraw/zinc/69/05/44/928690544.db2.gz LSDPDTBAYQKTAN-UHFFFAOYSA-N 1 1 300.359 -2.643 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440086650 928691652 /nfs/dbraw/zinc/69/16/52/928691652.db2.gz BGBUPDRAAJACLR-LBPRGKRZSA-N 1 1 312.414 -1.421 20 0 DAADMO Cc1nn(CC(=O)NCC2(O)C[NH+](CCC3CC3)C2)c(=O)n1C ZINC001440087410 928692294 /nfs/dbraw/zinc/69/22/94/928692294.db2.gz AJWUMCQWHZJOKA-UHFFFAOYSA-N 1 1 323.397 -1.147 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001440094748 928694053 /nfs/dbraw/zinc/69/40/53/928694053.db2.gz JHFATIIEEIRRSO-NWDGAFQWSA-N 1 1 310.398 -1.620 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN([C@H]3CCCNC3=O)C2)C1 ZINC001440094749 928694162 /nfs/dbraw/zinc/69/41/62/928694162.db2.gz JHFATIIEEIRRSO-RYUDHWBXSA-N 1 1 310.398 -1.620 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001440095235 928694322 /nfs/dbraw/zinc/69/43/22/928694322.db2.gz UUSJLVOJACXCEL-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1 ZINC001440145312 928696627 /nfs/dbraw/zinc/69/66/27/928696627.db2.gz VTAUYRMNRQHLAH-SDDRHHMPSA-N 1 1 319.427 -1.303 20 0 DAADMO CCO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001440146405 928696779 /nfs/dbraw/zinc/69/67/79/928696779.db2.gz FODGRIRQBLEYJD-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001440173688 928698939 /nfs/dbraw/zinc/69/89/39/928698939.db2.gz MMCMXBIESXEVDZ-CQSZACIVSA-N 1 1 311.386 -1.065 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001440174490 928699035 /nfs/dbraw/zinc/69/90/35/928699035.db2.gz NWSDFISXIBQBFU-OAHLLOKOSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440169199 928699257 /nfs/dbraw/zinc/69/92/57/928699257.db2.gz ACPLMCPURBKFHE-GXTWGEPZSA-N 1 1 302.371 -1.273 20 0 DAADMO CCC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001440161552 928699370 /nfs/dbraw/zinc/69/93/70/928699370.db2.gz AIBLXWURHDTFTM-BXUZGUMPSA-N 1 1 301.387 -1.164 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171638 928699390 /nfs/dbraw/zinc/69/93/90/928699390.db2.gz DDBXWHUVQZYNIC-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171638 928699395 /nfs/dbraw/zinc/69/93/95/928699395.db2.gz DDBXWHUVQZYNIC-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nccnc2N)C1 ZINC001440167986 928699576 /nfs/dbraw/zinc/69/95/76/928699576.db2.gz ZLNGMCPZQNKTAM-QMTHXVAHSA-N 1 1 309.370 -1.004 20 0 DAADMO CCC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001440161557 928699955 /nfs/dbraw/zinc/69/99/55/928699955.db2.gz AIBLXWURHDTFTM-SMDDNHRTSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(Cn1cnnn1)N[C@@]1(CO)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440184673 928701096 /nfs/dbraw/zinc/70/10/96/928701096.db2.gz WPAJAACGKTWLQP-OCCSQVGLSA-N 1 1 324.385 -1.347 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001440181781 928701349 /nfs/dbraw/zinc/70/13/49/928701349.db2.gz AEIMMPJTNIXYLE-GHMZBOCLSA-N 1 1 320.415 -1.902 20 0 DAADMO O=C(CCCn1cncn1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176731 928701361 /nfs/dbraw/zinc/70/13/61/928701361.db2.gz AVCNZDORWLNWFJ-CQSZACIVSA-N 1 1 311.386 -1.006 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440176632 928701689 /nfs/dbraw/zinc/70/16/89/928701689.db2.gz AKRZMWAXTQQECF-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cn1cccn1)c1nnnn1C ZINC001440201774 928704593 /nfs/dbraw/zinc/70/45/93/928704593.db2.gz TVJTUZGKYAIESH-NSHDSACASA-N 1 1 322.373 -1.422 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1nc2ncccn2n1 ZINC001440192709 928704663 /nfs/dbraw/zinc/70/46/63/928704663.db2.gz SGGWFQDLSCRYGM-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]n1)c1nncn1C ZINC001440207711 928706507 /nfs/dbraw/zinc/70/65/07/928706507.db2.gz PMKRTOLPDULPJQ-SECBINFHSA-N 1 1 308.346 -1.282 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CN1CCC(=O)NC1=O ZINC001440262172 928710762 /nfs/dbraw/zinc/71/07/62/928710762.db2.gz ISHRMXGHJDDXRY-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CN(C)C(=O)N3)CCC2)n1 ZINC001440319015 928712629 /nfs/dbraw/zinc/71/26/29/928712629.db2.gz PCFQRIVDJWVVDB-LLVKDONJSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1(CNC(=O)CN2CCCC2)CCC1 ZINC001440353577 928715498 /nfs/dbraw/zinc/71/54/98/928715498.db2.gz NDSVUFAQUQJDRP-UHFFFAOYSA-N 1 1 311.386 -1.094 20 0 DAADMO COC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001440377810 928717034 /nfs/dbraw/zinc/71/70/34/928717034.db2.gz OCWPIRFDXDDJMX-JTQLQIEISA-N 1 1 313.314 -1.257 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001440383988 928719785 /nfs/dbraw/zinc/71/97/85/928719785.db2.gz FQZLREJAIIFGDX-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CN(CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)S(C)(=O)=O ZINC001440390124 928720453 /nfs/dbraw/zinc/72/04/53/928720453.db2.gz MRFXJVXEQNWPGN-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001440391918 928720721 /nfs/dbraw/zinc/72/07/21/928720721.db2.gz NLCOMIWLIWVFRW-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001440397627 928720924 /nfs/dbraw/zinc/72/09/24/928720924.db2.gz FTWQFQOOFJNDII-NSHDSACASA-N 1 1 324.385 -1.572 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 ZINC001440450374 928722845 /nfs/dbraw/zinc/72/28/45/928722845.db2.gz RUEYMLCRAIJSMP-MXWKQRLJSA-N 1 1 311.386 -1.301 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cnnn1 ZINC001440404472 928723075 /nfs/dbraw/zinc/72/30/75/928723075.db2.gz HGCFNORKIWXKDO-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440456158 928723195 /nfs/dbraw/zinc/72/31/95/928723195.db2.gz LUZWBGWNMDXJKX-PWSUYJOCSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440456158 928723202 /nfs/dbraw/zinc/72/32/02/928723202.db2.gz LUZWBGWNMDXJKX-PWSUYJOCSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1ncnn1 ZINC001440434020 928723434 /nfs/dbraw/zinc/72/34/34/928723434.db2.gz OHASNXOPUTWDGW-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001440449136 928723523 /nfs/dbraw/zinc/72/35/23/928723523.db2.gz KNCUIDAMWJATFF-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440444260 928723589 /nfs/dbraw/zinc/72/35/89/928723589.db2.gz JHNDLSKPXUNFHW-LLVKDONJSA-N 1 1 300.359 -2.107 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440444260 928723595 /nfs/dbraw/zinc/72/35/95/928723595.db2.gz JHNDLSKPXUNFHW-LLVKDONJSA-N 1 1 300.359 -2.107 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001440492330 928726232 /nfs/dbraw/zinc/72/62/32/928726232.db2.gz HBRRQWYIANMDEK-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001440492330 928726238 /nfs/dbraw/zinc/72/62/38/928726238.db2.gz HBRRQWYIANMDEK-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001440487166 928726469 /nfs/dbraw/zinc/72/64/69/928726469.db2.gz TUPMGYXVGJELAA-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001440487166 928726474 /nfs/dbraw/zinc/72/64/74/928726474.db2.gz TUPMGYXVGJELAA-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001440492392 928726664 /nfs/dbraw/zinc/72/66/64/928726664.db2.gz BMKQAASDWVEHOB-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC001440551301 928730661 /nfs/dbraw/zinc/73/06/61/928730661.db2.gz DSKJSECCNBBPEW-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCNC2=O)CCOCC1)c1cnn[nH]1 ZINC001440572894 928731965 /nfs/dbraw/zinc/73/19/65/928731965.db2.gz TZSYFVWKBAEPQS-SECBINFHSA-N 1 1 308.342 -1.438 20 0 DAADMO COC[C@H](O)C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1 ZINC001440572085 928733288 /nfs/dbraw/zinc/73/32/88/928733288.db2.gz DLAHGLLYKWRFGP-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO COC[C@H](O)C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1 ZINC001440572085 928733296 /nfs/dbraw/zinc/73/32/96/928733296.db2.gz DLAHGLLYKWRFGP-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CCn2ccnn2)CC1 ZINC001440693800 928737007 /nfs/dbraw/zinc/73/70/07/928737007.db2.gz WZDWWAFXCMMKQY-UHFFFAOYSA-N 1 1 324.385 -1.643 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnn(C)n1 ZINC001440657589 928737525 /nfs/dbraw/zinc/73/75/25/928737525.db2.gz YDPJLXPWYGSTFB-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440637888 928738021 /nfs/dbraw/zinc/73/80/21/928738021.db2.gz OESGUQYHBPGDIT-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440637888 928738025 /nfs/dbraw/zinc/73/80/25/928738025.db2.gz OESGUQYHBPGDIT-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@H](C)C1 ZINC001440637134 928738624 /nfs/dbraw/zinc/73/86/24/928738624.db2.gz POJNUGHPAAHGHM-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)C1 ZINC001440637134 928738633 /nfs/dbraw/zinc/73/86/33/928738633.db2.gz POJNUGHPAAHGHM-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440637892 928738712 /nfs/dbraw/zinc/73/87/12/928738712.db2.gz OESGUQYHBPGDIT-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440637892 928738721 /nfs/dbraw/zinc/73/87/21/928738721.db2.gz OESGUQYHBPGDIT-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724130 928740682 /nfs/dbraw/zinc/74/06/82/928740682.db2.gz TXOLVHMDWOZGSR-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724130 928740689 /nfs/dbraw/zinc/74/06/89/928740689.db2.gz TXOLVHMDWOZGSR-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001440694777 928741237 /nfs/dbraw/zinc/74/12/37/928741237.db2.gz DLPJRCOARXYZRN-WYUUTHIRSA-N 1 1 311.382 -1.304 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1ncccn1 ZINC001440701221 928741659 /nfs/dbraw/zinc/74/16/59/928741659.db2.gz OEARWGUTZXLIDI-NSHDSACASA-N 1 1 319.365 -1.078 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@H+](C)[C@H](C)C(N)=O ZINC001440735899 928743436 /nfs/dbraw/zinc/74/34/36/928743436.db2.gz RFLREHBAZUILEK-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)C(N)=O ZINC001440735899 928743442 /nfs/dbraw/zinc/74/34/42/928743442.db2.gz RFLREHBAZUILEK-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@H](C)C(N)=O ZINC001440735925 928743696 /nfs/dbraw/zinc/74/36/96/928743696.db2.gz RFLREHBAZUILEK-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@H](C)C(N)=O ZINC001440735925 928743705 /nfs/dbraw/zinc/74/37/05/928743705.db2.gz RFLREHBAZUILEK-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NC(=O)c1nccnc1N)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440768480 928743881 /nfs/dbraw/zinc/74/38/81/928743881.db2.gz CNSUYFVJRKZADR-YUMQZZPRSA-N 1 1 305.346 -1.121 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001440738911 928743969 /nfs/dbraw/zinc/74/39/69/928743969.db2.gz TVCGEAVWYOELFD-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440902974 928747856 /nfs/dbraw/zinc/74/78/56/928747856.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440902974 928747866 /nfs/dbraw/zinc/74/78/66/928747866.db2.gz JIBZAAVLLNTSBX-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440927109 928749700 /nfs/dbraw/zinc/74/97/00/928749700.db2.gz VQJIWZPMYCROFX-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001440914880 928749872 /nfs/dbraw/zinc/74/98/72/928749872.db2.gz LIINGLMHXRYPPN-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440914880 928749878 /nfs/dbraw/zinc/74/98/78/928749878.db2.gz LIINGLMHXRYPPN-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001440944542 928751211 /nfs/dbraw/zinc/75/12/11/928751211.db2.gz YPGYIFWIDQBREX-KOLCDFICSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001440944542 928751214 /nfs/dbraw/zinc/75/12/14/928751214.db2.gz YPGYIFWIDQBREX-KOLCDFICSA-N 1 1 308.400 -1.525 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCCS1(=O)=O)[N@H+](C)CC(N)=O ZINC001440941658 928751494 /nfs/dbraw/zinc/75/14/94/928751494.db2.gz GCXXQYYCOOKRGC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCCS1(=O)=O)[N@@H+](C)CC(N)=O ZINC001440941658 928751496 /nfs/dbraw/zinc/75/14/96/928751496.db2.gz GCXXQYYCOOKRGC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1CCCC1=O ZINC001440948326 928751505 /nfs/dbraw/zinc/75/15/05/928751505.db2.gz AOEHERFCTNUTKF-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001440957119 928751572 /nfs/dbraw/zinc/75/15/72/928751572.db2.gz RKTSYJATHGSVJP-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001440957117 928751929 /nfs/dbraw/zinc/75/19/29/928751929.db2.gz RKTSYJATHGSVJP-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)CC(=O)NC(N)=O ZINC001440995087 928753106 /nfs/dbraw/zinc/75/31/06/928753106.db2.gz LFBWEFKUCIJKFC-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)[N@@H+](C)CCN1CCNC1=O ZINC001441005666 928753557 /nfs/dbraw/zinc/75/35/57/928753557.db2.gz HFAXVMCEOMKQQB-SNVBAGLBSA-N 1 1 314.390 -1.494 20 0 DAADMO C[C@H](CNC(=O)CCc1cncn1C)[N@H+](C)CC(=O)NC(N)=O ZINC001440998895 928753916 /nfs/dbraw/zinc/75/39/16/928753916.db2.gz WSHRSOOENIPIGU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](CNC(=O)CCc1cncn1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440998895 928753920 /nfs/dbraw/zinc/75/39/20/928753920.db2.gz WSHRSOOENIPIGU-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@H+](C)CC(=O)N(C)C ZINC001440999996 928754308 /nfs/dbraw/zinc/75/43/08/928754308.db2.gz ZKMFVOQFILVJPB-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)CC(=O)N(C)C ZINC001440999996 928754313 /nfs/dbraw/zinc/75/43/13/928754313.db2.gz ZKMFVOQFILVJPB-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)C1CC[NH+](CC(N)=O)CC1 ZINC001441017415 928754521 /nfs/dbraw/zinc/75/45/21/928754521.db2.gz XOKXSPIRYPAMLO-UHFFFAOYSA-N 1 1 320.415 -1.537 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001441025545 928757012 /nfs/dbraw/zinc/75/70/12/928757012.db2.gz AMVABIDZUZBIFM-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCC(=O)NCCN1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001441047189 928758030 /nfs/dbraw/zinc/75/80/30/928758030.db2.gz AYJLQKAYNQSGHQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001441040503 928759065 /nfs/dbraw/zinc/75/90/65/928759065.db2.gz JECNJDPYSMLPHM-UPJWGTAASA-N 1 1 324.425 -1.232 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441066967 928763539 /nfs/dbraw/zinc/76/35/39/928763539.db2.gz QCAZVCWULUZCIX-ZDUSSCGKSA-N 1 1 311.430 -1.453 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001441071589 928765188 /nfs/dbraw/zinc/76/51/88/928765188.db2.gz NBGFGPYCKQNHJD-GFCCVEGCSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001441083717 928765462 /nfs/dbraw/zinc/76/54/62/928765462.db2.gz WCYTVXPHANMGEQ-UHFFFAOYSA-N 1 1 309.370 -1.509 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCCO)C2)C1 ZINC001441084493 928765501 /nfs/dbraw/zinc/76/55/01/928765501.db2.gz ZSUZMXNRRXHBFA-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCCO)C2)C1 ZINC001441084493 928765513 /nfs/dbraw/zinc/76/55/13/928765513.db2.gz ZSUZMXNRRXHBFA-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1nnnc1CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441072689 928765606 /nfs/dbraw/zinc/76/56/06/928765606.db2.gz SQFFJMOJYNAEHA-LLVKDONJSA-N 1 1 323.401 -1.785 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001441113817 928767346 /nfs/dbraw/zinc/76/73/46/928767346.db2.gz OCVLPOFMZMYGLR-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1CCO ZINC001441124566 928768822 /nfs/dbraw/zinc/76/88/22/928768822.db2.gz HMGDOJJAOWKBBD-NSHDSACASA-N 1 1 322.431 -1.607 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001441159297 928770300 /nfs/dbraw/zinc/77/03/00/928770300.db2.gz VNKFIVBMSWKVOF-KWQFWETISA-N 1 1 309.374 -1.281 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001441159302 928771370 /nfs/dbraw/zinc/77/13/70/928771370.db2.gz VNKFIVBMSWKVOF-LDYMZIIASA-N 1 1 309.374 -1.281 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001441147492 928771478 /nfs/dbraw/zinc/77/14/78/928771478.db2.gz KNAZNTCQTCNGBZ-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441190777 928772449 /nfs/dbraw/zinc/77/24/49/928772449.db2.gz HJRBSZKQGPOOCD-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001441202454 928773199 /nfs/dbraw/zinc/77/31/99/928773199.db2.gz XQLJQZDIMTVWLP-GXSJLCMTSA-N 1 1 307.358 -1.612 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](NCc2nnnn2C)C2CC2)n[nH]1 ZINC001441199927 928773340 /nfs/dbraw/zinc/77/33/40/928773340.db2.gz UNFGKQFCXXSPDI-SNVBAGLBSA-N 1 1 319.373 -1.136 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)[nH]1 ZINC001441199927 928773348 /nfs/dbraw/zinc/77/33/48/928773348.db2.gz UNFGKQFCXXSPDI-SNVBAGLBSA-N 1 1 319.373 -1.136 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001441177912 928773436 /nfs/dbraw/zinc/77/34/36/928773436.db2.gz LLORDGDXFXLRGB-LBPRGKRZSA-N 1 1 323.401 -1.473 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H](CNC(=O)c1ncn[nH]1)C1CC1 ZINC001441247741 928775137 /nfs/dbraw/zinc/77/51/37/928775137.db2.gz WYGHCIVLBVGIGC-SECBINFHSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H](CNC(=O)c1nc[nH]n1)C1CC1 ZINC001441247741 928775145 /nfs/dbraw/zinc/77/51/45/928775145.db2.gz WYGHCIVLBVGIGC-SECBINFHSA-N 1 1 301.372 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)N3CCCC3)[C@@H]2C1 ZINC001441261100 928775448 /nfs/dbraw/zinc/77/54/48/928775448.db2.gz ANACAWJGYTYDQW-CNDDSTCGSA-N 1 1 323.397 -1.429 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441272843 928777775 /nfs/dbraw/zinc/77/77/75/928777775.db2.gz DMQVDCYQPYCCQP-CNDDSTCGSA-N 1 1 310.398 -1.072 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncnc3)[C@@H]2C1 ZINC001441269219 928777848 /nfs/dbraw/zinc/77/78/48/928777848.db2.gz CSVRWJMEHMHVKG-RTCCRHLQSA-N 1 1 318.337 -1.421 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001441272396 928777927 /nfs/dbraw/zinc/77/79/27/928777927.db2.gz IJYNKCYDWGGUKI-WISYIIOYSA-N 1 1 324.381 -1.087 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001441278289 928777995 /nfs/dbraw/zinc/77/79/95/928777995.db2.gz IFVFLBZZIMBPHJ-MLGHIDQZSA-N 1 1 322.409 -1.072 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001441296115 928778262 /nfs/dbraw/zinc/77/82/62/928778262.db2.gz FBLIJKATEAJZEH-LPWJVIDDSA-N 1 1 311.382 -1.480 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001441307522 928779889 /nfs/dbraw/zinc/77/98/89/928779889.db2.gz NGSMAEIYGVQCJH-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn(C)nn3)[C@@H]2C1 ZINC001441321186 928781466 /nfs/dbraw/zinc/78/14/66/928781466.db2.gz NDMRDAHGHVVSCJ-XYYAHUGASA-N 1 1 320.397 -1.212 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001441341988 928781814 /nfs/dbraw/zinc/78/18/14/928781814.db2.gz NZSOGVLXKRYMPZ-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001441325950 928782276 /nfs/dbraw/zinc/78/22/76/928782276.db2.gz ULVSCYLSGHQCKE-FIQHERPVSA-N 1 1 306.370 -1.293 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001441320381 928782964 /nfs/dbraw/zinc/78/29/64/928782964.db2.gz UQYCFBYRVDXQFC-ZJUUUORDSA-N 1 1 310.358 -1.572 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC001441342714 928784241 /nfs/dbraw/zinc/78/42/41/928784241.db2.gz STYMQKYRWXCOKL-QJPTWQEYSA-N 1 1 319.427 -1.255 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001441366024 928785280 /nfs/dbraw/zinc/78/52/80/928785280.db2.gz ZUSYCQLFNNGEEV-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C3(O)COC3)CC2)CC1 ZINC001441376019 928785351 /nfs/dbraw/zinc/78/53/51/928785351.db2.gz WHGNPKWTNRGROQ-UHFFFAOYSA-N 1 1 311.382 -1.240 20 0 DAADMO Cn1ncc(C(=O)N2CCC([N@@H+](C)CC(=O)NC(N)=O)CC2)n1 ZINC001441390443 928786149 /nfs/dbraw/zinc/78/61/49/928786149.db2.gz YATGMGFRQQXRQL-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001441413618 928787606 /nfs/dbraw/zinc/78/76/06/928787606.db2.gz FGNYGAWCFROVMH-IJLUTSLNSA-N 1 1 319.369 -1.158 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001441448124 928789139 /nfs/dbraw/zinc/78/91/39/928789139.db2.gz OJTSWYSYEJXKDC-NSHDSACASA-N 1 1 319.373 -1.021 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441480722 928791319 /nfs/dbraw/zinc/79/13/19/928791319.db2.gz XRZKQWUNKCUNNX-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001441494255 928791619 /nfs/dbraw/zinc/79/16/19/928791619.db2.gz HKIZRKHSDVWHNZ-OUAUKWLOSA-N 1 1 305.342 -1.087 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441477043 928791883 /nfs/dbraw/zinc/79/18/83/928791883.db2.gz RIBXKHNUAFJSOW-SNVBAGLBSA-N 1 1 324.389 -1.405 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CN(C)C(=O)Cn2ncnn2)nn1 ZINC001441534351 928794888 /nfs/dbraw/zinc/79/48/88/928794888.db2.gz UJURMCNDOQSLCA-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001441530899 928794993 /nfs/dbraw/zinc/79/49/93/928794993.db2.gz CYYGOWHVNSIDSW-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001441560525 928796553 /nfs/dbraw/zinc/79/65/53/928796553.db2.gz ANGZDADIBKZVRT-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001441560525 928796560 /nfs/dbraw/zinc/79/65/60/928796560.db2.gz ANGZDADIBKZVRT-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CN(C)C(=O)Cn2ncnn2)n1 ZINC001441537690 928797098 /nfs/dbraw/zinc/79/70/98/928797098.db2.gz ZFIIJLMGDDAYGP-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCOC)C1 ZINC001441576001 928797917 /nfs/dbraw/zinc/79/79/17/928797917.db2.gz BESAYNPQPLMEMQ-NSHDSACASA-N 1 1 322.431 -1.485 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001441554199 928798116 /nfs/dbraw/zinc/79/81/16/928798116.db2.gz ASAKTULVNZSFPF-GFCCVEGCSA-N 1 1 324.381 -1.633 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2ncnn2)n1 ZINC001441537684 928798174 /nfs/dbraw/zinc/79/81/74/928798174.db2.gz ZFIIJLMGDDAYGP-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnon2)C1 ZINC001441574173 928798460 /nfs/dbraw/zinc/79/84/60/928798460.db2.gz DBBDLUQSTADMHG-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnon2)C1 ZINC001441574173 928798465 /nfs/dbraw/zinc/79/84/65/928798465.db2.gz DBBDLUQSTADMHG-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001441578905 928800024 /nfs/dbraw/zinc/80/00/24/928800024.db2.gz ZKCDXUYPQDFVKY-MNOVXSKESA-N 1 1 311.386 -1.239 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441596493 928800766 /nfs/dbraw/zinc/80/07/66/928800766.db2.gz ORVQUHRVMUFCMW-WCBMZHEXSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1nnnn1C ZINC001441621162 928800798 /nfs/dbraw/zinc/80/07/98/928800798.db2.gz VSLBGYKXRGZYSC-MRVPVSSYSA-N 1 1 320.357 -1.113 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441596490 928801247 /nfs/dbraw/zinc/80/12/47/928801247.db2.gz ORVQUHRVMUFCMW-SCZZXKLOSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1nnnn1C ZINC001441621166 928801501 /nfs/dbraw/zinc/80/15/01/928801501.db2.gz VSLBGYKXRGZYSC-QMMMGPOBSA-N 1 1 320.357 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001441637973 928803095 /nfs/dbraw/zinc/80/30/95/928803095.db2.gz JGIOKNPKIIFJFK-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001441637973 928803107 /nfs/dbraw/zinc/80/31/07/928803107.db2.gz JGIOKNPKIIFJFK-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO O=C(CC1CC1)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441650226 928803759 /nfs/dbraw/zinc/80/37/59/928803759.db2.gz DTKGZWDIOBOCTM-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001441663212 928807224 /nfs/dbraw/zinc/80/72/24/928807224.db2.gz SNRNLMMUYPPNSX-NSHDSACASA-N 1 1 311.342 -1.812 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001441663211 928807433 /nfs/dbraw/zinc/80/74/33/928807433.db2.gz SNRNLMMUYPPNSX-LLVKDONJSA-N 1 1 311.342 -1.812 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001441675470 928811330 /nfs/dbraw/zinc/81/13/30/928811330.db2.gz IATRYIJZGGMQCF-MNOVXSKESA-N 1 1 322.431 -1.751 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnsn2)C1 ZINC001441691787 928817175 /nfs/dbraw/zinc/81/71/75/928817175.db2.gz CPSRVXZNYLVUIE-WDEREUQCSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnsn2)C1 ZINC001441691787 928817189 /nfs/dbraw/zinc/81/71/89/928817189.db2.gz CPSRVXZNYLVUIE-WDEREUQCSA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001441692712 928817892 /nfs/dbraw/zinc/81/78/92/928817892.db2.gz FKCJRNZDKYXIFE-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)nn1 ZINC001441698454 928819396 /nfs/dbraw/zinc/81/93/96/928819396.db2.gz OSECTBMLIINEIU-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001441699455 928820362 /nfs/dbraw/zinc/82/03/62/928820362.db2.gz FBKYTXMXOGWTLZ-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001441699454 928821260 /nfs/dbraw/zinc/82/12/60/928821260.db2.gz FBKYTXMXOGWTLZ-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)NC2CC2)n[nH]1 ZINC001441706670 928828793 /nfs/dbraw/zinc/82/87/93/928828793.db2.gz ULVADYXOOUZKGJ-LDYMZIIASA-N 1 1 324.385 -1.611 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2CCCCC2=O)n1 ZINC001441707810 928829040 /nfs/dbraw/zinc/82/90/40/928829040.db2.gz CHQDHIPEPMVETN-CYBMUJFWSA-N 1 1 323.397 -1.001 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001441706475 928829830 /nfs/dbraw/zinc/82/98/30/928829830.db2.gz OWOHWHLUOKQKDR-MRVPVSSYSA-N 1 1 321.341 -1.879 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CN2CCCCC2=O)n1 ZINC001441707811 928830092 /nfs/dbraw/zinc/83/00/92/928830092.db2.gz CHQDHIPEPMVETN-ZDUSSCGKSA-N 1 1 323.397 -1.001 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001441709865 928832678 /nfs/dbraw/zinc/83/26/78/928832678.db2.gz LPQPWNWKUMAUOK-QWRGUYRKSA-N 1 1 309.370 -1.487 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C ZINC001441716694 928833208 /nfs/dbraw/zinc/83/32/08/928833208.db2.gz VHOVPGFGTAJONK-VLLVSFFDSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C ZINC001441716694 928833216 /nfs/dbraw/zinc/83/32/16/928833216.db2.gz VHOVPGFGTAJONK-VLLVSFFDSA-N 1 1 324.381 -1.087 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001441714351 928833523 /nfs/dbraw/zinc/83/35/23/928833523.db2.gz FYEXFTIVMWHFMF-AAEUAGOBSA-N 1 1 323.397 -1.004 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001441714545 928834973 /nfs/dbraw/zinc/83/49/73/928834973.db2.gz YWAQTJNTWMVBCX-PWSUYJOCSA-N 1 1 309.370 -1.535 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001441714460 928835272 /nfs/dbraw/zinc/83/52/72/928835272.db2.gz FYEXFTIVMWHFMF-YPMHNXCESA-N 1 1 323.397 -1.004 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1ccncn1 ZINC001441715887 928835336 /nfs/dbraw/zinc/83/53/36/928835336.db2.gz WTBLIULNHUKIPS-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC1CC1 ZINC001441715659 928835851 /nfs/dbraw/zinc/83/58/51/928835851.db2.gz JENJJTDPNDXJLK-IJLUTSLNSA-N 1 1 321.381 -1.142 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001441718071 928838956 /nfs/dbraw/zinc/83/89/56/928838956.db2.gz OAXJHDUPOSUUEH-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001441723122 928840487 /nfs/dbraw/zinc/84/04/87/928840487.db2.gz MVMJIQDQGBMNFC-NZFPMDFQSA-N 1 1 311.386 -1.256 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001441723122 928840500 /nfs/dbraw/zinc/84/05/00/928840500.db2.gz MVMJIQDQGBMNFC-NZFPMDFQSA-N 1 1 311.386 -1.256 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)NC1=O ZINC001441727584 928842763 /nfs/dbraw/zinc/84/27/63/928842763.db2.gz DRWWTAJWQHYGNC-VXGBXAGGSA-N 1 1 307.354 -1.328 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001441728252 928842902 /nfs/dbraw/zinc/84/29/02/928842902.db2.gz FRIPLLZPTKGDQB-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC001441731817 928843343 /nfs/dbraw/zinc/84/33/43/928843343.db2.gz JJCGPHPJEMOZNJ-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441743550 928848842 /nfs/dbraw/zinc/84/88/42/928848842.db2.gz SLYCCURNUIJMHE-AVGNSLFASA-N 1 1 314.430 -1.081 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441743550 928848849 /nfs/dbraw/zinc/84/88/49/928848849.db2.gz SLYCCURNUIJMHE-AVGNSLFASA-N 1 1 314.430 -1.081 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001441747122 928851850 /nfs/dbraw/zinc/85/18/50/928851850.db2.gz FNLXQUAYXCOOED-VIFPVBQESA-N 1 1 320.353 -1.272 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001441748912 928851935 /nfs/dbraw/zinc/85/19/35/928851935.db2.gz RZSYAEZCFPOIAC-DGCLKSJQSA-N 1 1 314.430 -1.128 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001441756717 928852735 /nfs/dbraw/zinc/85/27/35/928852735.db2.gz SCSVDBZRPOOIGF-NXEZZACHSA-N 1 1 310.358 -1.950 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441751614 928852912 /nfs/dbraw/zinc/85/29/12/928852912.db2.gz UTMITTDTFPFOMU-ZDUSSCGKSA-N 1 1 314.430 -1.127 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441758687 928853810 /nfs/dbraw/zinc/85/38/10/928853810.db2.gz ZENPDVBUPYBPBM-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001441756750 928854388 /nfs/dbraw/zinc/85/43/88/928854388.db2.gz SCSVDBZRPOOIGF-ZJUUUORDSA-N 1 1 310.358 -1.950 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441758218 928855866 /nfs/dbraw/zinc/85/58/66/928855866.db2.gz SYXQIXDHKYVIBH-GDPRMGEGSA-N 1 1 310.358 -2.014 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001441763539 928858672 /nfs/dbraw/zinc/85/86/72/928858672.db2.gz OJUZYDQJSVLBTD-GXSJLCMTSA-N 1 1 317.390 -2.166 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2CC)nn1 ZINC001441769378 928858704 /nfs/dbraw/zinc/85/87/04/928858704.db2.gz QUQVHEPJQVNTSS-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)ncn1 ZINC001441775722 928860549 /nfs/dbraw/zinc/86/05/49/928860549.db2.gz MBVHAKWZWXRJRY-LLVKDONJSA-N 1 1 305.342 -1.287 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001441774799 928860942 /nfs/dbraw/zinc/86/09/42/928860942.db2.gz ZTBLYUYOJDGFAY-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001441789631 928867564 /nfs/dbraw/zinc/86/75/64/928867564.db2.gz OQJWOZLLNNUFNV-GFCCVEGCSA-N 1 1 310.398 -1.619 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)Cn2ccnc2)n1 ZINC001441800505 928869701 /nfs/dbraw/zinc/86/97/01/928869701.db2.gz NSUYCCJLLRHWME-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001441797024 928870223 /nfs/dbraw/zinc/87/02/23/928870223.db2.gz PXIWZDYOJACVNM-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001441797032 928870429 /nfs/dbraw/zinc/87/04/29/928870429.db2.gz PXIWZDYOJACVNM-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001441814968 928871858 /nfs/dbraw/zinc/87/18/58/928871858.db2.gz IFMBNSCUYZNCKT-ONGXEEELSA-N 1 1 309.374 -1.233 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001441827715 928873133 /nfs/dbraw/zinc/87/31/33/928873133.db2.gz OMSZDNHSQFVYHX-VXGBXAGGSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001441827715 928873143 /nfs/dbraw/zinc/87/31/43/928873143.db2.gz OMSZDNHSQFVYHX-VXGBXAGGSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O ZINC001441840256 928874792 /nfs/dbraw/zinc/87/47/92/928874792.db2.gz ZRBIXYBCCOVPQM-VIFPVBQESA-N 1 1 303.363 -2.412 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O ZINC001441840256 928874801 /nfs/dbraw/zinc/87/48/01/928874801.db2.gz ZRBIXYBCCOVPQM-VIFPVBQESA-N 1 1 303.363 -2.412 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ncnn2C)nn1 ZINC001441842757 928875271 /nfs/dbraw/zinc/87/52/71/928875271.db2.gz DZABCZXAASUFPS-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001441867891 928877374 /nfs/dbraw/zinc/87/73/74/928877374.db2.gz MUTRVIIBWNHODU-MRVPVSSYSA-N 1 1 318.403 -1.353 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)CN2CCOCC2=O)nn1 ZINC001441878065 928877686 /nfs/dbraw/zinc/87/76/86/928877686.db2.gz ZRKOZQOHISIFTE-LLVKDONJSA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCNC(N)=O ZINC001441855370 928878463 /nfs/dbraw/zinc/87/84/63/928878463.db2.gz FDXWNPFSUSLAOZ-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ccon1 ZINC001441859684 928878783 /nfs/dbraw/zinc/87/87/83/928878783.db2.gz SMNFJDFBXGVNOI-SECBINFHSA-N 1 1 311.342 -1.479 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001441878406 928878902 /nfs/dbraw/zinc/87/89/02/928878902.db2.gz QEKRMRKQQDPBNV-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC001441886128 928879550 /nfs/dbraw/zinc/87/95/50/928879550.db2.gz USMBKDCDYDEJKK-SUNKGSAMSA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001441890158 928880323 /nfs/dbraw/zinc/88/03/23/928880323.db2.gz NEUHHGIHDNYHIQ-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC001441886131 928880586 /nfs/dbraw/zinc/88/05/86/928880586.db2.gz USMBKDCDYDEJKK-UHIISALHSA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cn(C)nn1 ZINC001441907391 928880840 /nfs/dbraw/zinc/88/08/40/928880840.db2.gz XYXZIHCOXHYOIG-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO COCCn1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)n1 ZINC001441904213 928881075 /nfs/dbraw/zinc/88/10/75/928881075.db2.gz HTLUIEIPTKWMDI-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001441890196 928881648 /nfs/dbraw/zinc/88/16/48/928881648.db2.gz NEUHHGIHDNYHIQ-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CCn1cncn1 ZINC001441944150 928882014 /nfs/dbraw/zinc/88/20/14/928882014.db2.gz CPUCQMSOLKFSJI-LLVKDONJSA-N 1 1 322.373 -1.594 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001441944760 928884649 /nfs/dbraw/zinc/88/46/49/928884649.db2.gz CWKOJAAMVAEINA-GFCCVEGCSA-N 1 1 309.370 -1.170 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001441960567 928888698 /nfs/dbraw/zinc/88/86/98/928888698.db2.gz XQWVTFQKSGMMJU-ONGXEEELSA-N 1 1 313.358 -1.188 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)n2)nnn1C ZINC001441963374 928889125 /nfs/dbraw/zinc/88/91/25/928889125.db2.gz WSBMLHBJQBIYDT-NSHDSACASA-N 1 1 322.373 -1.525 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001441960529 928890185 /nfs/dbraw/zinc/89/01/85/928890185.db2.gz XQWVTFQKSGMMJU-KOLCDFICSA-N 1 1 313.358 -1.188 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001441957930 928890260 /nfs/dbraw/zinc/89/02/60/928890260.db2.gz FUNJOGOKEDZLAK-LLVKDONJSA-N 1 1 309.370 -1.027 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001441964765 928892097 /nfs/dbraw/zinc/89/20/97/928892097.db2.gz ACZZFVUSIPIIRB-YUMQZZPRSA-N 1 1 316.387 -1.496 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001441970587 928892726 /nfs/dbraw/zinc/89/27/26/928892726.db2.gz LJCWCQTYPGRQKP-DTWKUNHWSA-N 1 1 313.362 -2.219 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001441964733 928892742 /nfs/dbraw/zinc/89/27/42/928892742.db2.gz ACZZFVUSIPIIRB-JGVFFNPUSA-N 1 1 316.387 -1.496 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001441968526 928892953 /nfs/dbraw/zinc/89/29/53/928892953.db2.gz NWJLDHSZRHKTJO-LLVKDONJSA-N 1 1 312.374 -1.750 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001441972388 928894109 /nfs/dbraw/zinc/89/41/09/928894109.db2.gz KWLCTNPYTMMIKE-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncnc1 ZINC001441972585 928894578 /nfs/dbraw/zinc/89/45/78/928894578.db2.gz PJDOMXZTSCCTNH-JTQLQIEISA-N 1 1 306.330 -1.777 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001441971612 928895475 /nfs/dbraw/zinc/89/54/75/928895475.db2.gz JGKCXXUZBSXGFK-RKDXNWHRSA-N 1 1 308.346 -1.283 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)Cn1ncnn1 ZINC001441974861 928895861 /nfs/dbraw/zinc/89/58/61/928895861.db2.gz PQWFWXJRVNQERC-JTQLQIEISA-N 1 1 306.330 -1.928 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001441977108 928897238 /nfs/dbraw/zinc/89/72/38/928897238.db2.gz DALNMMSOMXIHQP-SNVBAGLBSA-N 1 1 313.362 -2.347 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn[nH]c(=O)c1 ZINC001441986487 928899648 /nfs/dbraw/zinc/89/96/48/928899648.db2.gz SHLHUOVCGGFNFQ-NSHDSACASA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441995047 928902091 /nfs/dbraw/zinc/90/20/91/928902091.db2.gz NXRKQPFCIBFMBB-WUHRBBMRSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC(C)(C)O ZINC001441996530 928902490 /nfs/dbraw/zinc/90/24/90/928902490.db2.gz MTYIOJMEGKMJEE-SECBINFHSA-N 1 1 300.363 -1.720 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001441996583 928903055 /nfs/dbraw/zinc/90/30/55/928903055.db2.gz NCEUHAAOBBSYSO-LLVKDONJSA-N 1 1 324.385 -1.295 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001441999599 928903118 /nfs/dbraw/zinc/90/31/18/928903118.db2.gz PWJIMJRBVIMCJK-JQWIXIFHSA-N 1 1 314.390 -1.210 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001442002264 928905633 /nfs/dbraw/zinc/90/56/33/928905633.db2.gz YAMIJSSKVASTLQ-IUCAKERBSA-N 1 1 311.346 -2.595 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn(C)nn2)n1 ZINC001442002516 928906069 /nfs/dbraw/zinc/90/60/69/928906069.db2.gz VVYHQSOJOZXWON-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]2CCC(=O)N2)[nH]1 ZINC001442031919 928909655 /nfs/dbraw/zinc/90/96/55/928909655.db2.gz RRFVIKFWMFACTR-GHMZBOCLSA-N 1 1 324.385 -1.309 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442026794 928910590 /nfs/dbraw/zinc/91/05/90/928910590.db2.gz CRJNVIVJKCHJLN-NXEZZACHSA-N 1 1 312.374 -1.629 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ncccn1)c1nnnn1C ZINC001442027312 928910770 /nfs/dbraw/zinc/91/07/70/928910770.db2.gz WTVAYCSAPTWQAG-ZJUUUORDSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1nncn1C ZINC001442037360 928912889 /nfs/dbraw/zinc/91/28/89/928912889.db2.gz DVKVFRKLRPOOHU-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)cnn1C ZINC001442043834 928913430 /nfs/dbraw/zinc/91/34/30/928913430.db2.gz NKLRNOODTYOXKB-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cncn1C ZINC001442044692 928914140 /nfs/dbraw/zinc/91/41/40/928914140.db2.gz RCPFAOWFXNHURR-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001442039185 928914739 /nfs/dbraw/zinc/91/47/39/928914739.db2.gz GVLVWVKROSHUFM-PWSUYJOCSA-N 1 1 301.387 -1.356 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001442048167 928915493 /nfs/dbraw/zinc/91/54/93/928915493.db2.gz HXPZQOJOTRFDQF-RQJHMYQMSA-N 1 1 310.301 -1.414 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001442048160 928915805 /nfs/dbraw/zinc/91/58/05/928915805.db2.gz HXPZQOJOTRFDQF-RNFRBKRXSA-N 1 1 310.301 -1.414 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001442052597 928915752 /nfs/dbraw/zinc/91/57/52/928915752.db2.gz OBPGZVUYYXBLBJ-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001442052597 928915759 /nfs/dbraw/zinc/91/57/59/928915759.db2.gz OBPGZVUYYXBLBJ-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001442052598 928915936 /nfs/dbraw/zinc/91/59/36/928915936.db2.gz OBPGZVUYYXBLBJ-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001442052598 928915945 /nfs/dbraw/zinc/91/59/45/928915945.db2.gz OBPGZVUYYXBLBJ-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001442051037 928916329 /nfs/dbraw/zinc/91/63/29/928916329.db2.gz MZGWJNCQFCWMKV-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCn1ccccc1=O ZINC001442055112 928916453 /nfs/dbraw/zinc/91/64/53/928916453.db2.gz SVZHYHATJWEIMD-ZDUSSCGKSA-N 1 1 311.382 -1.018 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442050454 928916557 /nfs/dbraw/zinc/91/65/57/928916557.db2.gz VQMAONYQECACIG-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001442052678 928916660 /nfs/dbraw/zinc/91/66/60/928916660.db2.gz PFRPIQWFFYHOKY-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001442052678 928916669 /nfs/dbraw/zinc/91/66/69/928916669.db2.gz PFRPIQWFFYHOKY-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001442053309 928916727 /nfs/dbraw/zinc/91/67/27/928916727.db2.gz YUXLJMRRJRSEKQ-QWRGUYRKSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccncn1 ZINC001442055106 928916755 /nfs/dbraw/zinc/91/67/55/928916755.db2.gz SVAGBSHVUSGPMZ-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccncn1 ZINC001442055106 928916762 /nfs/dbraw/zinc/91/67/62/928916762.db2.gz SVAGBSHVUSGPMZ-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442050457 928916872 /nfs/dbraw/zinc/91/68/72/928916872.db2.gz VQMAONYQECACIG-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001442054044 928917144 /nfs/dbraw/zinc/91/71/44/928917144.db2.gz ZRNOXPVGZVQSHP-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001442054044 928917154 /nfs/dbraw/zinc/91/71/54/928917154.db2.gz ZRNOXPVGZVQSHP-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001442052595 928917251 /nfs/dbraw/zinc/91/72/51/928917251.db2.gz OBPGZVUYYXBLBJ-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001442052595 928917259 /nfs/dbraw/zinc/91/72/59/928917259.db2.gz OBPGZVUYYXBLBJ-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CCC(=O)N1 ZINC001442048698 928917890 /nfs/dbraw/zinc/91/78/90/928917890.db2.gz GSHDRZOIMSBDBK-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001442047304 928918106 /nfs/dbraw/zinc/91/81/06/928918106.db2.gz HYBXHFUFYSADJL-VIFPVBQESA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001442047304 928918111 /nfs/dbraw/zinc/91/81/11/928918111.db2.gz HYBXHFUFYSADJL-VIFPVBQESA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001442058398 928918910 /nfs/dbraw/zinc/91/89/10/928918910.db2.gz ZIEFNGKMCCUSSJ-NWDGAFQWSA-N 1 1 301.387 -1.354 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)on1 ZINC001442067551 928920152 /nfs/dbraw/zinc/92/01/52/928920152.db2.gz WAPWMVALEIXYQD-QMMMGPOBSA-N 1 1 300.315 -1.467 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)on1 ZINC001442067551 928920167 /nfs/dbraw/zinc/92/01/67/928920167.db2.gz WAPWMVALEIXYQD-QMMMGPOBSA-N 1 1 300.315 -1.467 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1cc[nH]n1 ZINC001442056420 928920327 /nfs/dbraw/zinc/92/03/27/928920327.db2.gz SHMZRNCRHNGGGS-CYBMUJFWSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1cc[nH]n1 ZINC001442056420 928920341 /nfs/dbraw/zinc/92/03/41/928920341.db2.gz SHMZRNCRHNGGGS-CYBMUJFWSA-N 1 1 323.397 -1.064 20 0 DAADMO Cc1oncc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001442063012 928920384 /nfs/dbraw/zinc/92/03/84/928920384.db2.gz XSYVXPXXFPNYII-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1oncc1C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001442063012 928920392 /nfs/dbraw/zinc/92/03/92/928920392.db2.gz XSYVXPXXFPNYII-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001442060465 928920440 /nfs/dbraw/zinc/92/04/40/928920440.db2.gz GRPZLYKVASCCGA-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001442060465 928920455 /nfs/dbraw/zinc/92/04/55/928920455.db2.gz GRPZLYKVASCCGA-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC001442062633 928921239 /nfs/dbraw/zinc/92/12/39/928921239.db2.gz YFIARUJWHRMVOI-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001442079137 928922052 /nfs/dbraw/zinc/92/20/52/928922052.db2.gz HGCQHEAPKSCAJA-MXWKQRLJSA-N 1 1 314.386 -2.053 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001442079137 928922064 /nfs/dbraw/zinc/92/20/64/928922064.db2.gz HGCQHEAPKSCAJA-MXWKQRLJSA-N 1 1 314.386 -2.053 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001442080590 928922389 /nfs/dbraw/zinc/92/23/89/928922389.db2.gz KGUIDADWXNPWML-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001442080590 928922401 /nfs/dbraw/zinc/92/24/01/928922401.db2.gz KGUIDADWXNPWML-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001442080472 928922419 /nfs/dbraw/zinc/92/24/19/928922419.db2.gz GLLLXXCTUIWFPW-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001442080472 928922428 /nfs/dbraw/zinc/92/24/28/928922428.db2.gz GLLLXXCTUIWFPW-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001442081450 928922640 /nfs/dbraw/zinc/92/26/40/928922640.db2.gz MWTOFOYNMVAYPM-UWVGGRQHSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001442081450 928922648 /nfs/dbraw/zinc/92/26/48/928922648.db2.gz MWTOFOYNMVAYPM-UWVGGRQHSA-N 1 1 324.385 -1.539 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001442071301 928922756 /nfs/dbraw/zinc/92/27/56/928922756.db2.gz COXZKWSWDXENFR-NXEZZACHSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001442077240 928923336 /nfs/dbraw/zinc/92/33/36/928923336.db2.gz BXADCUBWSBSEQX-GFCCVEGCSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001442077240 928923341 /nfs/dbraw/zinc/92/33/41/928923341.db2.gz BXADCUBWSBSEQX-GFCCVEGCSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001442077768 928923651 /nfs/dbraw/zinc/92/36/51/928923651.db2.gz YEOPCLADUZOWIJ-YUMQZZPRSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001442077768 928923661 /nfs/dbraw/zinc/92/36/61/928923661.db2.gz YEOPCLADUZOWIJ-YUMQZZPRSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CCC(O)CC1 ZINC001442078477 928923739 /nfs/dbraw/zinc/92/37/39/928923739.db2.gz ZOKHOVFXSQZVBO-HTAVTVPLSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CCC(O)CC1 ZINC001442078477 928923754 /nfs/dbraw/zinc/92/37/54/928923754.db2.gz ZOKHOVFXSQZVBO-HTAVTVPLSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001442071101 928924105 /nfs/dbraw/zinc/92/41/05/928924105.db2.gz MVGWYIZHOCPJDI-VHSXEESVSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001442077180 928924449 /nfs/dbraw/zinc/92/44/49/928924449.db2.gz BDLDXBRGKFVRHC-ZJUUUORDSA-N 1 1 318.349 -1.305 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001442068102 928924551 /nfs/dbraw/zinc/92/45/51/928924551.db2.gz GSIKUITVQNXUDT-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001442068102 928924562 /nfs/dbraw/zinc/92/45/62/928924562.db2.gz GSIKUITVQNXUDT-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001442095492 928925760 /nfs/dbraw/zinc/92/57/60/928925760.db2.gz OZKWQTVBAMGIDY-JTQLQIEISA-N 1 1 312.374 -1.814 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001442095492 928925768 /nfs/dbraw/zinc/92/57/68/928925768.db2.gz OZKWQTVBAMGIDY-JTQLQIEISA-N 1 1 312.374 -1.814 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442092770 928926016 /nfs/dbraw/zinc/92/60/16/928926016.db2.gz KAPZIFWNJJOWEY-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001442098160 928926038 /nfs/dbraw/zinc/92/60/38/928926038.db2.gz SCABDROLZDINBH-JTQLQIEISA-N 1 1 317.390 -2.116 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001442098160 928926047 /nfs/dbraw/zinc/92/60/47/928926047.db2.gz SCABDROLZDINBH-JTQLQIEISA-N 1 1 317.390 -2.116 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001442095405 928926156 /nfs/dbraw/zinc/92/61/56/928926156.db2.gz OSGYZBOIFAUXQW-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC001442095405 928926163 /nfs/dbraw/zinc/92/61/63/928926163.db2.gz OSGYZBOIFAUXQW-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001442084104 928926186 /nfs/dbraw/zinc/92/61/86/928926186.db2.gz LAELZVOHMLKJPR-MEBFFEOJSA-N 1 1 316.398 -1.363 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086958 928926442 /nfs/dbraw/zinc/92/64/42/928926442.db2.gz AYLYFXNYRAYEIH-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086958 928926452 /nfs/dbraw/zinc/92/64/52/928926452.db2.gz AYLYFXNYRAYEIH-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001442088407 928926671 /nfs/dbraw/zinc/92/66/71/928926671.db2.gz DEWFJWWJLDXWEB-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442096389 928926696 /nfs/dbraw/zinc/92/66/96/928926696.db2.gz OLXQJNTUQOCHNO-OLZOCXBDSA-N 1 1 314.430 -1.175 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001442091640 928926785 /nfs/dbraw/zinc/92/67/85/928926785.db2.gz MCNYIBBXHWVCLJ-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCC(=O)N1C ZINC001442093545 928926971 /nfs/dbraw/zinc/92/69/71/928926971.db2.gz LWTQMFZWQFJZSA-VXGBXAGGSA-N 1 1 301.387 -1.259 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001442095404 928927426 /nfs/dbraw/zinc/92/74/26/928927426.db2.gz OSGYZBOIFAUXQW-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001442095404 928927434 /nfs/dbraw/zinc/92/74/34/928927434.db2.gz OSGYZBOIFAUXQW-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001442082790 928927712 /nfs/dbraw/zinc/92/77/12/928927712.db2.gz QPRYVYUKKLPUJC-MWLCHTKSSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442083724 928928333 /nfs/dbraw/zinc/92/83/33/928928333.db2.gz QECPGLSRICVILA-ZANVPECISA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442083724 928928343 /nfs/dbraw/zinc/92/83/43/928928343.db2.gz QECPGLSRICVILA-ZANVPECISA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001442083039 928928365 /nfs/dbraw/zinc/92/83/65/928928365.db2.gz JWQUMNOJEFDTTE-GRYCIOLGSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001442083039 928928371 /nfs/dbraw/zinc/92/83/71/928928371.db2.gz JWQUMNOJEFDTTE-GRYCIOLGSA-N 1 1 321.443 -1.057 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)COc1cccnc1 ZINC001442096606 928928399 /nfs/dbraw/zinc/92/83/99/928928399.db2.gz PJAAFBZWAJEZRK-LBPRGKRZSA-N 1 1 324.381 -1.043 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)COc1cccnc1 ZINC001442096606 928928410 /nfs/dbraw/zinc/92/84/10/928928410.db2.gz PJAAFBZWAJEZRK-LBPRGKRZSA-N 1 1 324.381 -1.043 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C)nc1Cl ZINC001442090491 928928750 /nfs/dbraw/zinc/92/87/50/928928750.db2.gz GZTBUCRDQCIOAA-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C)nc1Cl ZINC001442090491 928928761 /nfs/dbraw/zinc/92/87/61/928928761.db2.gz GZTBUCRDQCIOAA-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442099168 928929620 /nfs/dbraw/zinc/92/96/20/928929620.db2.gz UHINGMYRSMKOOC-QWHCGFSZSA-N 1 1 311.382 -1.020 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001442099248 928929707 /nfs/dbraw/zinc/92/97/07/928929707.db2.gz USNQFEJKBHXULO-MNOVXSKESA-N 1 1 312.370 -1.474 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001442098592 928930019 /nfs/dbraw/zinc/93/00/19/928930019.db2.gz SQFSTKMXIKCGJP-ZJUUUORDSA-N 1 1 313.358 -1.089 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001442099252 928930253 /nfs/dbraw/zinc/93/02/53/928930253.db2.gz USNQFEJKBHXULO-QWRGUYRKSA-N 1 1 312.370 -1.474 20 0 DAADMO CCn1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)ccc1=O ZINC001442099502 928930466 /nfs/dbraw/zinc/93/04/66/928930466.db2.gz ULBDZBQKQGZLHL-NSHDSACASA-N 1 1 312.370 -1.380 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442222241 928934292 /nfs/dbraw/zinc/93/42/92/928934292.db2.gz YXEKABHBWWSOIS-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCN(C)C1=O ZINC001442188810 928934499 /nfs/dbraw/zinc/93/44/99/928934499.db2.gz RNHQELSBUAOXSV-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCN(C)C1=O ZINC001442188810 928934506 /nfs/dbraw/zinc/93/45/06/928934506.db2.gz RNHQELSBUAOXSV-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001442193383 928935039 /nfs/dbraw/zinc/93/50/39/928935039.db2.gz BWYUQYJKILZQMM-VIFPVBQESA-N 1 1 302.331 -2.359 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001442193645 928935125 /nfs/dbraw/zinc/93/51/25/928935125.db2.gz GTMADWFKZCBDGI-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCN(C)C1=O ZINC001442188812 928935254 /nfs/dbraw/zinc/93/52/54/928935254.db2.gz RNHQELSBUAOXSV-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCN(C)C1=O ZINC001442188812 928935264 /nfs/dbraw/zinc/93/52/64/928935264.db2.gz RNHQELSBUAOXSV-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442217819 928935518 /nfs/dbraw/zinc/93/55/18/928935518.db2.gz RHSMVIJCVXSHDD-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001442210406 928935747 /nfs/dbraw/zinc/93/57/47/928935747.db2.gz WWHBIZUKGYBZFI-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001442210406 928935754 /nfs/dbraw/zinc/93/57/54/928935754.db2.gz WWHBIZUKGYBZFI-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CCNC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnn(C)n1 ZINC001442286526 928936937 /nfs/dbraw/zinc/93/69/37/928936937.db2.gz GFURNGANIMPQHM-MRVPVSSYSA-N 1 1 306.330 -1.408 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001442232341 928938337 /nfs/dbraw/zinc/93/83/37/928938337.db2.gz PCVJLCKQVQQQTA-UHFFFAOYSA-N 1 1 310.362 -1.782 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001442336870 928938984 /nfs/dbraw/zinc/93/89/84/928938984.db2.gz HGQDEUQLFBCVSS-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO Nc1nnn(CC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC001442329467 928939396 /nfs/dbraw/zinc/93/93/96/928939396.db2.gz PZOJWOKBCWJCRC-LLVKDONJSA-N 1 1 309.374 -1.031 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@H](O)Cn1cccn1 ZINC001442349383 928940127 /nfs/dbraw/zinc/94/01/27/928940127.db2.gz DXLYFPYMTYVGDQ-NSHDSACASA-N 1 1 308.346 -2.021 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001442344925 928940803 /nfs/dbraw/zinc/94/08/03/928940803.db2.gz KSJIWYUGWLSHGC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001442344925 928940816 /nfs/dbraw/zinc/94/08/16/928940816.db2.gz KSJIWYUGWLSHGC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO Nc1nnn(CC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC001442329468 928940899 /nfs/dbraw/zinc/94/08/99/928940899.db2.gz PZOJWOKBCWJCRC-NSHDSACASA-N 1 1 309.374 -1.031 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC(=O)NC1CC1 ZINC001442402139 928942221 /nfs/dbraw/zinc/94/22/21/928942221.db2.gz SITVKBDSKQTOMR-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)NC(=O)NC1CC1 ZINC001442402139 928942232 /nfs/dbraw/zinc/94/22/32/928942232.db2.gz SITVKBDSKQTOMR-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO C[N@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(=O)NC1CC1 ZINC001442372707 928942440 /nfs/dbraw/zinc/94/24/40/928942440.db2.gz DLLFMJKDHRUVHK-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1cc[nH]n1)CC(=O)NC(=O)NC1CC1 ZINC001442372707 928942448 /nfs/dbraw/zinc/94/24/48/928942448.db2.gz DLLFMJKDHRUVHK-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442377687 928943386 /nfs/dbraw/zinc/94/33/86/928943386.db2.gz PDKNBCRFLDQWGI-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442377687 928943397 /nfs/dbraw/zinc/94/33/97/928943397.db2.gz PDKNBCRFLDQWGI-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1)S(C)(=O)=O ZINC001442391271 928943681 /nfs/dbraw/zinc/94/36/81/928943681.db2.gz WLIIFXJGOYRMQB-VIFPVBQESA-N 1 1 322.387 -1.966 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1)S(C)(=O)=O ZINC001442391271 928943687 /nfs/dbraw/zinc/94/36/87/928943687.db2.gz WLIIFXJGOYRMQB-VIFPVBQESA-N 1 1 322.387 -1.966 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CCn1cncn1 ZINC001442414801 928945014 /nfs/dbraw/zinc/94/50/14/928945014.db2.gz RUIKFDBFFZUAIN-UHFFFAOYSA-N 1 1 321.345 -2.283 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001442439225 928945178 /nfs/dbraw/zinc/94/51/78/928945178.db2.gz UKAYENFZDRWFAN-UHFFFAOYSA-N 1 1 324.385 -1.780 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001442439225 928945187 /nfs/dbraw/zinc/94/51/87/928945187.db2.gz UKAYENFZDRWFAN-UHFFFAOYSA-N 1 1 324.385 -1.780 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001442414098 928946583 /nfs/dbraw/zinc/94/65/83/928946583.db2.gz ZBXLNVRDVCFFPX-LLVKDONJSA-N 1 1 312.374 -1.779 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@H]2CCc3ncnn32)n1 ZINC001442482615 928948175 /nfs/dbraw/zinc/94/81/75/928948175.db2.gz CRQNNBURROXDJW-SECBINFHSA-N 1 1 305.346 -1.349 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CC1CCC1 ZINC001442484886 928949095 /nfs/dbraw/zinc/94/90/95/928949095.db2.gz ZNEKHHIUXCYLSN-NSHDSACASA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2nnnn2c1)[C@@H]1CCNC1=O ZINC001442480129 928949129 /nfs/dbraw/zinc/94/91/29/928949129.db2.gz DYEWHCCFELWCHS-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2nnnn2c1)[C@@H]1CCNC1=O ZINC001442480129 928949138 /nfs/dbraw/zinc/94/91/38/928949138.db2.gz DYEWHCCFELWCHS-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO CC(C)C[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001442481917 928949482 /nfs/dbraw/zinc/94/94/82/928949482.db2.gz PRJAXAVJVCSOSZ-JTQLQIEISA-N 1 1 305.400 -1.396 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001442487248 928950728 /nfs/dbraw/zinc/95/07/28/928950728.db2.gz UQHVBXINZPLNDA-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@@H+](C)CCN2CCNC2=O)n1 ZINC001442508250 928950799 /nfs/dbraw/zinc/95/07/99/928950799.db2.gz BBLIJONQOCAZLL-UHFFFAOYSA-N 1 1 323.401 -1.179 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442487254 928951200 /nfs/dbraw/zinc/95/12/00/928951200.db2.gz UQHVBXINZPLNDA-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc2nncn2c1)CC(=O)NC(N)=O ZINC001442553824 928952318 /nfs/dbraw/zinc/95/23/18/928952318.db2.gz RUVBLGHXWJUEDZ-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc2nncn2c1)CC(=O)NC(N)=O ZINC001442553824 928952325 /nfs/dbraw/zinc/95/23/25/928952325.db2.gz RUVBLGHXWJUEDZ-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@H+](CCNC(=O)c1cnon1)CC(=O)NC(=O)NC1CC1 ZINC001442561868 928953267 /nfs/dbraw/zinc/95/32/67/928953267.db2.gz WIRARTGEBHNNDV-UHFFFAOYSA-N 1 1 310.314 -1.281 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnon1)CC(=O)NC(=O)NC1CC1 ZINC001442561868 928953274 /nfs/dbraw/zinc/95/32/74/928953274.db2.gz WIRARTGEBHNNDV-UHFFFAOYSA-N 1 1 310.314 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1n[nH]cc1F ZINC001442520517 928953790 /nfs/dbraw/zinc/95/37/90/928953790.db2.gz OGNMFRRPEZGBEJ-UHFFFAOYSA-N 1 1 300.294 -1.334 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1n[nH]cc1F ZINC001442520517 928953802 /nfs/dbraw/zinc/95/38/02/928953802.db2.gz OGNMFRRPEZGBEJ-UHFFFAOYSA-N 1 1 300.294 -1.334 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001442541654 928954457 /nfs/dbraw/zinc/95/44/57/928954457.db2.gz PBMSGJOYCGZHPW-GFCCVEGCSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001442585663 928954489 /nfs/dbraw/zinc/95/44/89/928954489.db2.gz UAZLUYWVPHQMLY-MRVPVSSYSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001442585663 928954496 /nfs/dbraw/zinc/95/44/96/928954496.db2.gz UAZLUYWVPHQMLY-MRVPVSSYSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001442561981 928954674 /nfs/dbraw/zinc/95/46/74/928954674.db2.gz RNUBTYWTROSBPV-SNVBAGLBSA-N 1 1 324.385 -1.158 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001442561981 928954688 /nfs/dbraw/zinc/95/46/88/928954688.db2.gz RNUBTYWTROSBPV-SNVBAGLBSA-N 1 1 324.385 -1.158 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CC1CCOCC1 ZINC001442619023 928955879 /nfs/dbraw/zinc/95/58/79/928955879.db2.gz KIOPGNXRPAWFQY-UHFFFAOYSA-N 1 1 324.385 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1cnn(C)c1 ZINC001442602023 928956316 /nfs/dbraw/zinc/95/63/16/928956316.db2.gz JZFLOHBKVGYXHQ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1cnn(C)c1 ZINC001442602023 928956329 /nfs/dbraw/zinc/95/63/29/928956329.db2.gz JZFLOHBKVGYXHQ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1ccn(C)n1)S(C)(=O)=O ZINC001442616255 928957518 /nfs/dbraw/zinc/95/75/18/928957518.db2.gz ZOJUPSKHWACYMC-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1ccn(C)n1)S(C)(=O)=O ZINC001442616255 928957524 /nfs/dbraw/zinc/95/75/24/928957524.db2.gz ZOJUPSKHWACYMC-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N(C)C(C)C ZINC001442633980 928959432 /nfs/dbraw/zinc/95/94/32/928959432.db2.gz PUUVXODSBPOCSK-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N(C)C(C)C ZINC001442633980 928959442 /nfs/dbraw/zinc/95/94/42/928959442.db2.gz PUUVXODSBPOCSK-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442638858 928959654 /nfs/dbraw/zinc/95/96/54/928959654.db2.gz DHJHIVXVXLKQFM-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442638858 928959660 /nfs/dbraw/zinc/95/96/60/928959660.db2.gz DHJHIVXVXLKQFM-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)NC)CCN1CCNC1=O ZINC001442672491 928960828 /nfs/dbraw/zinc/96/08/28/928960828.db2.gz BLVZBRDQYDKIOS-UHFFFAOYSA-N 1 1 314.390 -1.621 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)c1nnn(C)n1 ZINC001442687707 928961055 /nfs/dbraw/zinc/96/10/55/928961055.db2.gz QRLBCOPSMUREDI-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)c1nnn(C)n1 ZINC001442687694 928961927 /nfs/dbraw/zinc/96/19/27/928961927.db2.gz QRLBCOPSMUREDI-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CS(C)(=O)=O ZINC001442744045 928964306 /nfs/dbraw/zinc/96/43/06/928964306.db2.gz ACCLRMFEZMOZEF-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001442766864 928966343 /nfs/dbraw/zinc/96/63/43/928966343.db2.gz IINUQHDPABVUCG-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c(=O)n1 ZINC001442823941 928967651 /nfs/dbraw/zinc/96/76/51/928967651.db2.gz SUANWYQLQOQAHA-GFCCVEGCSA-N 1 1 321.381 -1.074 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c(=O)n1 ZINC001442823941 928967662 /nfs/dbraw/zinc/96/76/62/928967662.db2.gz SUANWYQLQOQAHA-GFCCVEGCSA-N 1 1 321.381 -1.074 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442803385 928968296 /nfs/dbraw/zinc/96/82/96/928968296.db2.gz VUJLTBYBOIWCEX-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442803385 928968302 /nfs/dbraw/zinc/96/83/02/928968302.db2.gz VUJLTBYBOIWCEX-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001442786975 928969306 /nfs/dbraw/zinc/96/93/06/928969306.db2.gz KXYGZMNXJYIJQL-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001442786975 928969315 /nfs/dbraw/zinc/96/93/15/928969315.db2.gz KXYGZMNXJYIJQL-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001442839465 928971163 /nfs/dbraw/zinc/97/11/63/928971163.db2.gz QZYQQDTUHUCOBC-MNOVXSKESA-N 1 1 322.369 -1.095 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CNC(N)=O ZINC001442853959 928971540 /nfs/dbraw/zinc/97/15/40/928971540.db2.gz RRJWZQHQKBTJRQ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001442840159 928972221 /nfs/dbraw/zinc/97/22/21/928972221.db2.gz RVDBESYHLUFUKB-SNVBAGLBSA-N 1 1 316.387 -1.844 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001442840159 928972225 /nfs/dbraw/zinc/97/22/25/928972225.db2.gz RVDBESYHLUFUKB-SNVBAGLBSA-N 1 1 316.387 -1.844 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001442854177 928972547 /nfs/dbraw/zinc/97/25/47/928972547.db2.gz IGWPIUSDCOMLBZ-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001442875867 928973382 /nfs/dbraw/zinc/97/33/82/928973382.db2.gz UBHOJXGSHQQVCX-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001442881086 928973644 /nfs/dbraw/zinc/97/36/44/928973644.db2.gz LQVZGWDZCGTQSA-MRVPVSSYSA-N 1 1 310.314 -1.423 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001442881086 928973660 /nfs/dbraw/zinc/97/36/60/928973660.db2.gz LQVZGWDZCGTQSA-MRVPVSSYSA-N 1 1 310.314 -1.423 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)NC(N)=O ZINC001442872678 928974051 /nfs/dbraw/zinc/97/40/51/928974051.db2.gz QZJHFKCNILLJOP-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001442858452 928974448 /nfs/dbraw/zinc/97/44/48/928974448.db2.gz ARIAMUNRAAXTEE-UWVGGRQHSA-N 1 1 310.358 -2.106 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442860172 928974786 /nfs/dbraw/zinc/97/47/86/928974786.db2.gz GQCGXWGCFNFSHO-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001442882960 928975071 /nfs/dbraw/zinc/97/50/71/928975071.db2.gz ODGODOCKCARGDV-NSHDSACASA-N 1 1 304.416 -1.112 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001442858461 928975107 /nfs/dbraw/zinc/97/51/07/928975107.db2.gz ARIAMUNRAAXTEE-ZJUUUORDSA-N 1 1 310.358 -2.106 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001442863401 928975468 /nfs/dbraw/zinc/97/54/68/928975468.db2.gz LZMXUPKBDZHHBW-LLVKDONJSA-N 1 1 308.400 -1.522 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001442875857 928975571 /nfs/dbraw/zinc/97/55/71/928975571.db2.gz UBHOJXGSHQQVCX-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001442892826 928977321 /nfs/dbraw/zinc/97/73/21/928977321.db2.gz XMJAQOUJKLXINL-SNVBAGLBSA-N 1 1 309.374 -1.214 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001442914441 928977589 /nfs/dbraw/zinc/97/75/89/928977589.db2.gz QEGHXSJKBRENGL-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)[C@@H]1CCN(C)C1=O ZINC001442931854 928978121 /nfs/dbraw/zinc/97/81/21/928978121.db2.gz HKYQDCBUZSZBSO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001442902392 928978188 /nfs/dbraw/zinc/97/81/88/928978188.db2.gz IHIDWWJECFVDRY-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)[C@H]1CCN(C)C1=O ZINC001442931858 928978313 /nfs/dbraw/zinc/97/83/13/928978313.db2.gz HKYQDCBUZSZBSO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001442947497 928979856 /nfs/dbraw/zinc/97/98/56/928979856.db2.gz VSQYVLFWJFZSRQ-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CCC[N@@H+](CCNC(=O)CCn1cnnn1)[C@H]1CCNC1=O ZINC001442961373 928980832 /nfs/dbraw/zinc/98/08/32/928980832.db2.gz KDKCYNXKUROWSV-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)NC ZINC001442943634 928981190 /nfs/dbraw/zinc/98/11/90/928981190.db2.gz YOFNCDVANVIZJH-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)NC ZINC001442943634 928981201 /nfs/dbraw/zinc/98/12/01/928981201.db2.gz YOFNCDVANVIZJH-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCC[N@@H+](CCCO)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442974705 928982742 /nfs/dbraw/zinc/98/27/42/928982742.db2.gz RBXLMAJMSFQAST-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001443008141 928984067 /nfs/dbraw/zinc/98/40/67/928984067.db2.gz PTPNHPWHXCQSCV-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001443008141 928984079 /nfs/dbraw/zinc/98/40/79/928984079.db2.gz PTPNHPWHXCQSCV-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001442998639 928984368 /nfs/dbraw/zinc/98/43/68/928984368.db2.gz ZITSGOSXCWSVAJ-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001442998639 928984381 /nfs/dbraw/zinc/98/43/81/928984381.db2.gz ZITSGOSXCWSVAJ-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001443006573 928985036 /nfs/dbraw/zinc/98/50/36/928985036.db2.gz PZJQZXIPDDGDBT-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CCN2CCNC2=O)C2CC2)n1 ZINC001443032761 928987051 /nfs/dbraw/zinc/98/70/51/928987051.db2.gz RVQPCKHITWGLNF-UHFFFAOYSA-N 1 1 322.373 -1.571 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](CCn2cncn2)C2CC2)NC1=O ZINC001443029099 928987559 /nfs/dbraw/zinc/98/75/59/928987559.db2.gz ODMCYTCKTSUVSO-LBPRGKRZSA-N 1 1 321.385 -1.118 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)C1CC1 ZINC001443061311 928989402 /nfs/dbraw/zinc/98/94/02/928989402.db2.gz NAEAISLEPCEMLG-SNVBAGLBSA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)C1CC1 ZINC001443061311 928989413 /nfs/dbraw/zinc/98/94/13/928989413.db2.gz NAEAISLEPCEMLG-SNVBAGLBSA-N 1 1 306.370 -1.094 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)ccc1=O ZINC001443039696 928990157 /nfs/dbraw/zinc/99/01/57/928990157.db2.gz BLXULMBZROWNHW-LBPRGKRZSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)ccc1=O ZINC001443039696 928990170 /nfs/dbraw/zinc/99/01/70/928990170.db2.gz BLXULMBZROWNHW-LBPRGKRZSA-N 1 1 319.365 -1.137 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cccn2)C1 ZINC001443212833 928995070 /nfs/dbraw/zinc/99/50/70/928995070.db2.gz PGGFMHASHJCKMC-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001443255956 928995860 /nfs/dbraw/zinc/99/58/60/928995860.db2.gz ZKGVCPJNFIGBIW-BDAKNGLRSA-N 1 1 311.342 -2.102 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001443255960 928996106 /nfs/dbraw/zinc/99/61/06/928996106.db2.gz ZKGVCPJNFIGBIW-IUCAKERBSA-N 1 1 311.342 -2.102 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001443272819 928997494 /nfs/dbraw/zinc/99/74/94/928997494.db2.gz PTWHBMQIMJCFJT-LLVKDONJSA-N 1 1 324.385 -1.412 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443316416 928998672 /nfs/dbraw/zinc/99/86/72/928998672.db2.gz AMTZUCMOFPCZBR-NSHDSACASA-N 1 1 309.374 -1.458 20 0 DAADMO NC(=O)CN(CC(N)=O)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001443293350 928998697 /nfs/dbraw/zinc/99/86/97/928998697.db2.gz MNLHIKPCJQAAFU-UHFFFAOYSA-N 1 1 309.326 -1.317 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001443309656 928998926 /nfs/dbraw/zinc/99/89/26/928998926.db2.gz NZCUTPKFRDVNST-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001443319983 928999190 /nfs/dbraw/zinc/99/91/90/928999190.db2.gz GKMAVKGMIFLTDX-NSHDSACASA-N 1 1 324.385 -1.196 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)CCn3cncn3)C2)n1 ZINC001443314427 928999494 /nfs/dbraw/zinc/99/94/94/928999494.db2.gz ADVKYMYPOOVSFK-NSHDSACASA-N 1 1 319.373 -1.104 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337941 929000741 /nfs/dbraw/zinc/00/07/41/929000741.db2.gz MVJCSMHMTVXXRA-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001443357737 929001625 /nfs/dbraw/zinc/00/16/25/929001625.db2.gz YSCUSOSXNXJRKG-WDEREUQCSA-N 1 1 309.374 -1.283 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001443329322 929001897 /nfs/dbraw/zinc/00/18/97/929001897.db2.gz PJBCDMIQIYFJKX-ZETOZRRWSA-N 1 1 324.381 -1.002 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001443406292 929002628 /nfs/dbraw/zinc/00/26/28/929002628.db2.gz VSWIYVGAKLWTAH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001443406292 929002640 /nfs/dbraw/zinc/00/26/40/929002640.db2.gz VSWIYVGAKLWTAH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001443407143 929003176 /nfs/dbraw/zinc/00/31/76/929003176.db2.gz LFAROXKKLCKRJZ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001443407143 929003184 /nfs/dbraw/zinc/00/31/84/929003184.db2.gz LFAROXKKLCKRJZ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 ZINC001443454004 929004095 /nfs/dbraw/zinc/00/40/95/929004095.db2.gz BIMXRVUGGNAHJX-DCAQKATOSA-N 1 1 311.386 -1.240 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001443511860 929009953 /nfs/dbraw/zinc/00/99/53/929009953.db2.gz RMTOUDPXPIHSTL-JTQLQIEISA-N 1 1 308.404 -1.734 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443538400 929012385 /nfs/dbraw/zinc/01/23/85/929012385.db2.gz CNBURPICKWNIHA-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](CC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1)NC(N)=O ZINC001443578295 929017467 /nfs/dbraw/zinc/01/74/67/929017467.db2.gz JBTRIWQISIGYOU-NXEZZACHSA-N 1 1 313.402 -1.042 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001443655722 929019558 /nfs/dbraw/zinc/01/95/58/929019558.db2.gz DWNYBHWBOVZKNB-SNVBAGLBSA-N 1 1 320.415 -1.762 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cnccc2=O)C1 ZINC001443624116 929019772 /nfs/dbraw/zinc/01/97/72/929019772.db2.gz QLXLONYQTQKARC-GFCCVEGCSA-N 1 1 321.381 -1.055 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001443665953 929020832 /nfs/dbraw/zinc/02/08/32/929020832.db2.gz UPWPNKBDMRZJFR-UWVGGRQHSA-N 1 1 308.379 -1.315 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001443658832 929020903 /nfs/dbraw/zinc/02/09/03/929020903.db2.gz ARAWFFLPIGKTFT-STQMWFEESA-N 1 1 323.397 -1.225 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001443658832 929020915 /nfs/dbraw/zinc/02/09/15/929020915.db2.gz ARAWFFLPIGKTFT-STQMWFEESA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001443711742 929022650 /nfs/dbraw/zinc/02/26/50/929022650.db2.gz FRUAYFONFJPLHG-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443711757 929022838 /nfs/dbraw/zinc/02/28/38/929022838.db2.gz FRUAYFONFJPLHG-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443697353 929023525 /nfs/dbraw/zinc/02/35/25/929023525.db2.gz DHXLKKQQVZEOCN-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO COCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443697353 929023534 /nfs/dbraw/zinc/02/35/34/929023534.db2.gz DHXLKKQQVZEOCN-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001443736248 929024597 /nfs/dbraw/zinc/02/45/97/929024597.db2.gz VQJDKODFFLDQFU-DLOVCJGASA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759820 929025144 /nfs/dbraw/zinc/02/51/44/929025144.db2.gz PEWFLQZDFLTAES-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759820 929025158 /nfs/dbraw/zinc/02/51/58/929025158.db2.gz PEWFLQZDFLTAES-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443738457 929025672 /nfs/dbraw/zinc/02/56/72/929025672.db2.gz VGHYWRBQZIRUDF-MNOVXSKESA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001443744013 929026180 /nfs/dbraw/zinc/02/61/80/929026180.db2.gz WRLMCSJMGNVUPP-NXEZZACHSA-N 1 1 308.342 -1.343 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001443744013 929026191 /nfs/dbraw/zinc/02/61/91/929026191.db2.gz WRLMCSJMGNVUPP-NXEZZACHSA-N 1 1 308.342 -1.343 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001443774221 929028718 /nfs/dbraw/zinc/02/87/18/929028718.db2.gz VQJDKODFFLDQFU-WCQGTBRESA-N 1 1 314.386 -1.408 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001443817273 929029749 /nfs/dbraw/zinc/02/97/49/929029749.db2.gz FWWZNGCDYUIYTK-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001443820901 929030019 /nfs/dbraw/zinc/03/00/19/929030019.db2.gz OTGVIRDRQUYMMX-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001443820901 929030025 /nfs/dbraw/zinc/03/00/25/929030025.db2.gz OTGVIRDRQUYMMX-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001443837083 929030633 /nfs/dbraw/zinc/03/06/33/929030633.db2.gz LTOICWHTUMWLIJ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001443837083 929030645 /nfs/dbraw/zinc/03/06/45/929030645.db2.gz LTOICWHTUMWLIJ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001443820903 929031519 /nfs/dbraw/zinc/03/15/19/929031519.db2.gz OTGVIRDRQUYMMX-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001443820903 929031529 /nfs/dbraw/zinc/03/15/29/929031529.db2.gz OTGVIRDRQUYMMX-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443808973 929031624 /nfs/dbraw/zinc/03/16/24/929031624.db2.gz LYKVXTFLHBKMAR-QMMMGPOBSA-N 1 1 315.330 -1.930 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443808973 929031636 /nfs/dbraw/zinc/03/16/36/929031636.db2.gz LYKVXTFLHBKMAR-QMMMGPOBSA-N 1 1 315.330 -1.930 20 0 DAADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443828799 929031989 /nfs/dbraw/zinc/03/19/89/929031989.db2.gz AMQJXFQCTNLUDW-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001443889990 929032457 /nfs/dbraw/zinc/03/24/57/929032457.db2.gz LNQLHOFNNRKQFG-ONGXEEELSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001443889990 929032469 /nfs/dbraw/zinc/03/24/69/929032469.db2.gz LNQLHOFNNRKQFG-ONGXEEELSA-N 1 1 310.358 -1.288 20 0 DAADMO CCN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001443870027 929032496 /nfs/dbraw/zinc/03/24/96/929032496.db2.gz RUXHXZADCZDVMT-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001443889985 929033485 /nfs/dbraw/zinc/03/34/85/929033485.db2.gz LNQLHOFNNRKQFG-MWLCHTKSSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001443889985 929033497 /nfs/dbraw/zinc/03/34/97/929033497.db2.gz LNQLHOFNNRKQFG-MWLCHTKSSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001443889979 929034095 /nfs/dbraw/zinc/03/40/95/929034095.db2.gz LNQLHOFNNRKQFG-GXSJLCMTSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001443889979 929034108 /nfs/dbraw/zinc/03/41/08/929034108.db2.gz LNQLHOFNNRKQFG-GXSJLCMTSA-N 1 1 310.358 -1.288 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001443876042 929034413 /nfs/dbraw/zinc/03/44/13/929034413.db2.gz VIOFQSDJOFIOAG-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnn(CC)n1 ZINC001443913478 929036062 /nfs/dbraw/zinc/03/60/62/929036062.db2.gz HBGUYEFOHQYYES-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001443974595 929038089 /nfs/dbraw/zinc/03/80/89/929038089.db2.gz AVJCUVYOTURXSJ-ZMLRMANQSA-N 1 1 324.385 -1.168 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001444000052 929039730 /nfs/dbraw/zinc/03/97/30/929039730.db2.gz CJSZLQLKMDJQIY-IUCAKERBSA-N 1 1 323.357 -1.602 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056426 929043448 /nfs/dbraw/zinc/04/34/48/929043448.db2.gz IQUQKWXSMZWCTB-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056426 929043458 /nfs/dbraw/zinc/04/34/58/929043458.db2.gz IQUQKWXSMZWCTB-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056418 929044053 /nfs/dbraw/zinc/04/40/53/929044053.db2.gz IQUQKWXSMZWCTB-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056418 929044067 /nfs/dbraw/zinc/04/40/67/929044067.db2.gz IQUQKWXSMZWCTB-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444077968 929048833 /nfs/dbraw/zinc/04/88/33/929048833.db2.gz TWVZMVQSLHPGAF-RYUDHWBXSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444077967 929049198 /nfs/dbraw/zinc/04/91/98/929049198.db2.gz TWVZMVQSLHPGAF-NWDGAFQWSA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103881 929054766 /nfs/dbraw/zinc/05/47/66/929054766.db2.gz IWQLFFCACOSCHH-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103881 929054778 /nfs/dbraw/zinc/05/47/78/929054778.db2.gz IWQLFFCACOSCHH-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001444110866 929057988 /nfs/dbraw/zinc/05/79/88/929057988.db2.gz AJIWCUSNYIQHJF-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(C)OCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444108476 929058188 /nfs/dbraw/zinc/05/81/88/929058188.db2.gz JHQWLTMAKCYFRO-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444108476 929058196 /nfs/dbraw/zinc/05/81/96/929058196.db2.gz JHQWLTMAKCYFRO-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CN1CCCC1 ZINC001444125880 929065871 /nfs/dbraw/zinc/06/58/71/929065871.db2.gz PCCVYFQCFGOETF-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CN1CCCC1 ZINC001444125880 929065885 /nfs/dbraw/zinc/06/58/85/929065885.db2.gz PCCVYFQCFGOETF-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001444154441 929071166 /nfs/dbraw/zinc/07/11/66/929071166.db2.gz WYEKWIAYJJVROC-LPEHRKFASA-N 1 1 315.374 -2.269 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001444173672 929074626 /nfs/dbraw/zinc/07/46/26/929074626.db2.gz HIPONUJLHIXFBH-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001444178279 929077330 /nfs/dbraw/zinc/07/73/30/929077330.db2.gz LWNVLORWJCGMGO-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444184762 929077926 /nfs/dbraw/zinc/07/79/26/929077926.db2.gz GIWDFOXJAYXPAD-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001444183071 929078287 /nfs/dbraw/zinc/07/82/87/929078287.db2.gz BMQXMHGLFZPWMP-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO Cc1nccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444183774 929078462 /nfs/dbraw/zinc/07/84/62/929078462.db2.gz FEHVINCJMYGWPO-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444189347 929080650 /nfs/dbraw/zinc/08/06/50/929080650.db2.gz MKLDSYKBRCHULF-ZYHUDNBSSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001444193671 929082265 /nfs/dbraw/zinc/08/22/65/929082265.db2.gz VFWGPHOLFLODIG-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001444194629 929082387 /nfs/dbraw/zinc/08/23/87/929082387.db2.gz OLZLKPLWLZIYSA-MNOVXSKESA-N 1 1 323.353 -1.937 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001444192387 929082875 /nfs/dbraw/zinc/08/28/75/929082875.db2.gz RRAWQZWVDZRNBA-MNOVXSKESA-N 1 1 310.358 -2.177 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001444198656 929085188 /nfs/dbraw/zinc/08/51/88/929085188.db2.gz NXOPLYNCYJTKKA-LLVKDONJSA-N 1 1 311.386 -1.114 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001444212089 929085845 /nfs/dbraw/zinc/08/58/45/929085845.db2.gz IGQVABLLIVHXKK-CYBMUJFWSA-N 1 1 324.381 -1.056 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001444212090 929086138 /nfs/dbraw/zinc/08/61/38/929086138.db2.gz IGQVABLLIVHXKK-ZDUSSCGKSA-N 1 1 324.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001444227301 929087760 /nfs/dbraw/zinc/08/77/60/929087760.db2.gz PVFMQADNICJUJE-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224536 929087822 /nfs/dbraw/zinc/08/78/22/929087822.db2.gz XEMDXWFLHMSPHB-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224536 929087834 /nfs/dbraw/zinc/08/78/34/929087834.db2.gz XEMDXWFLHMSPHB-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001444227297 929088656 /nfs/dbraw/zinc/08/86/56/929088656.db2.gz PVFMQADNICJUJE-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001444225826 929089305 /nfs/dbraw/zinc/08/93/05/929089305.db2.gz ZJKDEGFOOFDBIE-ZOWXZIJZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)COCC(F)F ZINC001444242015 929093007 /nfs/dbraw/zinc/09/30/07/929093007.db2.gz NWJSDNYDSKNJKG-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001444251032 929094608 /nfs/dbraw/zinc/09/46/08/929094608.db2.gz ZYMFKLRZYUDNJF-HUBLWGQQSA-N 1 1 322.365 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnsn1 ZINC001444261317 929096645 /nfs/dbraw/zinc/09/66/45/929096645.db2.gz WRUAIRFNCWMJAD-PSASIEDQSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001444283548 929102015 /nfs/dbraw/zinc/10/20/15/929102015.db2.gz XLXICZRYXDUPQR-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001444300081 929106527 /nfs/dbraw/zinc/10/65/27/929106527.db2.gz NPLKGDGGBPLRJH-NWDGAFQWSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001444342558 929113987 /nfs/dbraw/zinc/11/39/87/929113987.db2.gz CSCKLKGUANGKMI-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001444342558 929113999 /nfs/dbraw/zinc/11/39/99/929113999.db2.gz CSCKLKGUANGKMI-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001444342558 929114004 /nfs/dbraw/zinc/11/40/04/929114004.db2.gz CSCKLKGUANGKMI-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cncn2)C1 ZINC001444342133 929114235 /nfs/dbraw/zinc/11/42/35/929114235.db2.gz HGJFJMHTDRUBMV-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1nnn(C)n1 ZINC001444419328 929119868 /nfs/dbraw/zinc/11/98/68/929119868.db2.gz ICXDLXVVONTFKN-VIFPVBQESA-N 1 1 322.373 -1.597 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438700 929121639 /nfs/dbraw/zinc/12/16/39/929121639.db2.gz CHCCQXXKVHRRLG-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438700 929121647 /nfs/dbraw/zinc/12/16/47/929121647.db2.gz CHCCQXXKVHRRLG-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438698 929122586 /nfs/dbraw/zinc/12/25/86/929122586.db2.gz CHCCQXXKVHRRLG-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438698 929122591 /nfs/dbraw/zinc/12/25/91/929122591.db2.gz CHCCQXXKVHRRLG-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444444122 929123649 /nfs/dbraw/zinc/12/36/49/929123649.db2.gz IPFKVIHNFXHZLQ-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444444122 929123654 /nfs/dbraw/zinc/12/36/54/929123654.db2.gz IPFKVIHNFXHZLQ-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1)C(N)=O ZINC001444444266 929123750 /nfs/dbraw/zinc/12/37/50/929123750.db2.gz ITNUNUIYCHETOS-NEPJUHHUSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001444444266 929123753 /nfs/dbraw/zinc/12/37/53/929123753.db2.gz ITNUNUIYCHETOS-NEPJUHHUSA-N 1 1 314.386 -1.408 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC001444456502 929124659 /nfs/dbraw/zinc/12/46/59/929124659.db2.gz MISIDHFTAXKZNG-CYBMUJFWSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486281 929126101 /nfs/dbraw/zinc/12/61/01/929126101.db2.gz QDJUKPQEEVMHJV-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486281 929126107 /nfs/dbraw/zinc/12/61/07/929126107.db2.gz QDJUKPQEEVMHJV-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(CC(=O)NC)CCO1 ZINC001444489523 929126411 /nfs/dbraw/zinc/12/64/11/929126411.db2.gz UFCMETBHCSEBPE-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001444570237 929128603 /nfs/dbraw/zinc/12/86/03/929128603.db2.gz JIYCCDAJKAJEON-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1nccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444615577 929134553 /nfs/dbraw/zinc/13/45/53/929134553.db2.gz DOIKAYKLXHIMOX-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1nccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444615588 929135404 /nfs/dbraw/zinc/13/54/04/929135404.db2.gz DOIKAYKLXHIMOX-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1cc[nH]n1 ZINC001444632359 929136368 /nfs/dbraw/zinc/13/63/68/929136368.db2.gz WZXYAPCAWZXHPL-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632359 929136374 /nfs/dbraw/zinc/13/63/74/929136374.db2.gz WZXYAPCAWZXHPL-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632359 929136381 /nfs/dbraw/zinc/13/63/81/929136381.db2.gz WZXYAPCAWZXHPL-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CNC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444633002 929136457 /nfs/dbraw/zinc/13/64/57/929136457.db2.gz ZPTNTARGNIVCAS-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001444638610 929138658 /nfs/dbraw/zinc/13/86/58/929138658.db2.gz UAUFOMNHEJNBQU-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CC(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444634954 929139060 /nfs/dbraw/zinc/13/90/60/929139060.db2.gz YSJKOXCBYWPXJJ-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444634954 929139067 /nfs/dbraw/zinc/13/90/67/929139067.db2.gz YSJKOXCBYWPXJJ-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1[nH]nnc1C ZINC001444656865 929140283 /nfs/dbraw/zinc/14/02/83/929140283.db2.gz ZAWBAJGTERBBFA-SSDOTTSWSA-N 1 1 311.346 -1.381 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444655462 929140860 /nfs/dbraw/zinc/14/08/60/929140860.db2.gz RBYDVWPGLYQGBE-NXEZZACHSA-N 1 1 311.342 -1.430 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001444682045 929144143 /nfs/dbraw/zinc/14/41/43/929144143.db2.gz VKMBZSQWPNLVMX-VHSXEESVSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001444682044 929144415 /nfs/dbraw/zinc/14/44/15/929144415.db2.gz VKMBZSQWPNLVMX-NXEZZACHSA-N 1 1 309.374 -1.233 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)CC(C)C ZINC001444732623 929151323 /nfs/dbraw/zinc/15/13/23/929151323.db2.gz FIQGXCYSAUYOOO-LLVKDONJSA-N 1 1 311.390 -1.033 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001444955414 929156944 /nfs/dbraw/zinc/15/69/44/929156944.db2.gz VUPITQNOZOGMDC-RKDXNWHRSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001444955414 929156954 /nfs/dbraw/zinc/15/69/54/929156954.db2.gz VUPITQNOZOGMDC-RKDXNWHRSA-N 1 1 315.374 -1.515 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001444979927 929159226 /nfs/dbraw/zinc/15/92/26/929159226.db2.gz OTHIQSNGLAHMFA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001444979927 929159234 /nfs/dbraw/zinc/15/92/34/929159234.db2.gz OTHIQSNGLAHMFA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CCOC1 ZINC001444978199 929159343 /nfs/dbraw/zinc/15/93/43/929159343.db2.gz YNCWVKFMTRAUGG-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1CCOC1 ZINC001444978199 929159349 /nfs/dbraw/zinc/15/93/49/929159349.db2.gz YNCWVKFMTRAUGG-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO COCC[N@@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001445005654 929159539 /nfs/dbraw/zinc/15/95/39/929159539.db2.gz LQFGWBFDXVJHLI-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001444985458 929159760 /nfs/dbraw/zinc/15/97/60/929159760.db2.gz FLUBVPIIWQKXDL-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001444985458 929159765 /nfs/dbraw/zinc/15/97/65/929159765.db2.gz FLUBVPIIWQKXDL-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001444981303 929160039 /nfs/dbraw/zinc/16/00/39/929160039.db2.gz VQZDDNVYRXJETJ-QMMMGPOBSA-N 1 1 315.330 -2.059 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001444981303 929160049 /nfs/dbraw/zinc/16/00/49/929160049.db2.gz VQZDDNVYRXJETJ-QMMMGPOBSA-N 1 1 315.330 -2.059 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001444996712 929160684 /nfs/dbraw/zinc/16/06/84/929160684.db2.gz ZQKXXDWQSVCRCZ-UHFFFAOYSA-N 1 1 309.370 -1.128 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001444996712 929160695 /nfs/dbraw/zinc/16/06/95/929160695.db2.gz ZQKXXDWQSVCRCZ-UHFFFAOYSA-N 1 1 309.370 -1.128 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001444996367 929160873 /nfs/dbraw/zinc/16/08/73/929160873.db2.gz UWZDXSWZAINGJB-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445088762 929161536 /nfs/dbraw/zinc/16/15/36/929161536.db2.gz HAKXRAABUAJKTQ-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445088762 929161543 /nfs/dbraw/zinc/16/15/43/929161543.db2.gz HAKXRAABUAJKTQ-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001445061428 929162099 /nfs/dbraw/zinc/16/20/99/929162099.db2.gz MASBZNVOVJDAKX-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)Cc1nnc[nH]1 ZINC001445070679 929162146 /nfs/dbraw/zinc/16/21/46/929162146.db2.gz OUMULYRKNUNDRT-UHFFFAOYSA-N 1 1 318.403 -1.713 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)Cc1nnc[nH]1 ZINC001445070679 929162154 /nfs/dbraw/zinc/16/21/54/929162154.db2.gz OUMULYRKNUNDRT-UHFFFAOYSA-N 1 1 318.403 -1.713 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001445089014 929162775 /nfs/dbraw/zinc/16/27/75/929162775.db2.gz IRFLVCLFIIKUTE-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001445089014 929162782 /nfs/dbraw/zinc/16/27/82/929162782.db2.gz IRFLVCLFIIKUTE-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO COCC(=O)NC[C@H](O)C[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001445120806 929163923 /nfs/dbraw/zinc/16/39/23/929163923.db2.gz WJRLPLCJPLAYFV-SECBINFHSA-N 1 1 322.325 -1.260 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)cn1 ZINC001445128217 929164534 /nfs/dbraw/zinc/16/45/34/929164534.db2.gz FWRBFUCBCQLKHI-LLVKDONJSA-N 1 1 320.357 -1.378 20 0 DAADMO CC(C)SCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001445134192 929166190 /nfs/dbraw/zinc/16/61/90/929166190.db2.gz JXPAAPINOMHCCX-VIFPVBQESA-N 1 1 302.404 -1.082 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001445132963 929167104 /nfs/dbraw/zinc/16/71/04/929167104.db2.gz LQGFIRPMIMKUOA-SNVBAGLBSA-N 1 1 310.358 -1.698 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445145166 929168484 /nfs/dbraw/zinc/16/84/84/929168484.db2.gz BJYPCIHVQNNGPE-VIFPVBQESA-N 1 1 300.319 -2.262 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)nn1 ZINC001445150602 929168851 /nfs/dbraw/zinc/16/88/51/929168851.db2.gz ORLWCALJWXTPSC-VIFPVBQESA-N 1 1 308.346 -1.989 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cscn1)[C@H]1COC(=O)N1 ZINC001445152912 929170786 /nfs/dbraw/zinc/17/07/86/929170786.db2.gz JUMXCGVDIFJJHL-DTWKUNHWSA-N 1 1 300.340 -1.182 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnccn1 ZINC001445156795 929171191 /nfs/dbraw/zinc/17/11/91/929171191.db2.gz YTBAJTIQXFUCLH-SNVBAGLBSA-N 1 1 320.357 -1.246 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cscn1)[C@@H]1COC(=O)N1 ZINC001445152917 929171309 /nfs/dbraw/zinc/17/13/09/929171309.db2.gz JUMXCGVDIFJJHL-IUCAKERBSA-N 1 1 300.340 -1.182 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ncn1 ZINC001445158129 929171673 /nfs/dbraw/zinc/17/16/73/929171673.db2.gz QMATVJXJUUYNGJ-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)c1N ZINC001445157390 929171940 /nfs/dbraw/zinc/17/19/40/929171940.db2.gz XNNYEJPMYJLZKR-MRVPVSSYSA-N 1 1 308.346 -1.989 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001445157926 929172188 /nfs/dbraw/zinc/17/21/88/929172188.db2.gz MIZGCYWXRKMGLJ-WDEREUQCSA-N 1 1 313.358 -1.720 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)c1N ZINC001445157392 929172331 /nfs/dbraw/zinc/17/23/31/929172331.db2.gz XNNYEJPMYJLZKR-QMMMGPOBSA-N 1 1 308.346 -1.989 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001445161783 929174273 /nfs/dbraw/zinc/17/42/73/929174273.db2.gz YJLRESRQPXQSJK-VHSXEESVSA-N 1 1 309.330 -1.203 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445179103 929175523 /nfs/dbraw/zinc/17/55/23/929175523.db2.gz JMGVXOXUTQGOHX-ZIAGYGMSSA-N 1 1 322.413 -1.276 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnn(C)n2)CC[N@H+]1C ZINC001445175107 929176225 /nfs/dbraw/zinc/17/62/25/929176225.db2.gz FHZVCRUQRFMCIW-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001445182731 929177501 /nfs/dbraw/zinc/17/75/01/929177501.db2.gz NFWZLJWBMOIMIA-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001445182164 929177774 /nfs/dbraw/zinc/17/77/74/929177774.db2.gz FFHLMJXXVWIFKP-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001445186472 929177853 /nfs/dbraw/zinc/17/78/53/929177853.db2.gz IMJGQZBJRJEPSH-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001445181692 929178076 /nfs/dbraw/zinc/17/80/76/929178076.db2.gz CYEWEDRRPXNFLV-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001445182171 929178592 /nfs/dbraw/zinc/17/85/92/929178592.db2.gz FFHLMJXXVWIFKP-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001445182756 929179126 /nfs/dbraw/zinc/17/91/26/929179126.db2.gz ISGMWAQCMSAKKW-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001445181698 929179130 /nfs/dbraw/zinc/17/91/30/929179130.db2.gz CYEWEDRRPXNFLV-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001445192453 929180460 /nfs/dbraw/zinc/18/04/60/929180460.db2.gz MUEIAHMMVDKRJI-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001445191819 929180624 /nfs/dbraw/zinc/18/06/24/929180624.db2.gz OZMHQHYUNGBBQF-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001445188784 929180961 /nfs/dbraw/zinc/18/09/61/929180961.db2.gz VNWOTDWGSHMLAQ-LBPRGKRZSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001445191772 929181286 /nfs/dbraw/zinc/18/12/86/929181286.db2.gz OXJDKNRJQNULEI-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001445188776 929181324 /nfs/dbraw/zinc/18/13/24/929181324.db2.gz VNWOTDWGSHMLAQ-GFCCVEGCSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc(C)[nH]2)n1 ZINC001445192764 929182536 /nfs/dbraw/zinc/18/25/36/929182536.db2.gz ZKSQXTGURASGPQ-NSHDSACASA-N 1 1 322.373 -1.466 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001445193830 929183205 /nfs/dbraw/zinc/18/32/05/929183205.db2.gz YVKUXOGAIQIWQA-SECBINFHSA-N 1 1 317.371 -2.574 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001445200849 929185502 /nfs/dbraw/zinc/18/55/02/929185502.db2.gz WCVPBURQLKZOHK-VXNVDRBHSA-N 1 1 308.346 -1.317 20 0 DAADMO COCC1(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001445210576 929186594 /nfs/dbraw/zinc/18/65/94/929186594.db2.gz MTZVQOUSVLLQRJ-UWVGGRQHSA-N 1 1 312.374 -1.236 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001445211588 929186912 /nfs/dbraw/zinc/18/69/12/929186912.db2.gz QCHBRMFYBZASJI-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445209982 929187248 /nfs/dbraw/zinc/18/72/48/929187248.db2.gz SKFFBDUUIIAMGK-ZJUUUORDSA-N 1 1 312.374 -1.260 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001445207846 929187598 /nfs/dbraw/zinc/18/75/98/929187598.db2.gz MJNUKHZMYYFESX-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445209978 929187633 /nfs/dbraw/zinc/18/76/33/929187633.db2.gz SKFFBDUUIIAMGK-VHSXEESVSA-N 1 1 312.374 -1.260 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001445207844 929187663 /nfs/dbraw/zinc/18/76/63/929187663.db2.gz MJNUKHZMYYFESX-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001445213126 929188863 /nfs/dbraw/zinc/18/88/63/929188863.db2.gz RMMAVJPXQQXKTC-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001445223951 929191362 /nfs/dbraw/zinc/19/13/62/929191362.db2.gz NQKKEFNQEVRLRA-UWVGGRQHSA-N 1 1 311.342 -1.427 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)NC1=O ZINC001445219146 929191410 /nfs/dbraw/zinc/19/14/10/929191410.db2.gz GRXFTYBDHUECDL-IUCAKERBSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001445223954 929191525 /nfs/dbraw/zinc/19/15/25/929191525.db2.gz NQKKEFNQEVRLRA-ZJUUUORDSA-N 1 1 311.342 -1.427 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)NC1=O ZINC001445219142 929191719 /nfs/dbraw/zinc/19/17/19/929191719.db2.gz GRXFTYBDHUECDL-DTWKUNHWSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ccn1C ZINC001445228902 929193942 /nfs/dbraw/zinc/19/39/42/929193942.db2.gz BOULOGWEPWYEHA-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2[nH]nnc2C)nn1 ZINC001445229544 929194617 /nfs/dbraw/zinc/19/46/17/929194617.db2.gz VDDDRUUOYCIPIT-SNVBAGLBSA-N 1 1 308.346 -1.395 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1cn[nH]c1)c1nnnn1C ZINC001445236203 929196320 /nfs/dbraw/zinc/19/63/20/929196320.db2.gz HLDNISCMMIYOFQ-ONGXEEELSA-N 1 1 322.373 -1.306 20 0 DAADMO CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001445241360 929197368 /nfs/dbraw/zinc/19/73/68/929197368.db2.gz BJSFAJYZUFHNCG-NSHDSACASA-N 1 1 311.386 -1.066 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001445247715 929198393 /nfs/dbraw/zinc/19/83/93/929198393.db2.gz FFJCDDQVQPYCLB-RKDXNWHRSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001445247715 929198395 /nfs/dbraw/zinc/19/83/95/929198395.db2.gz FFJCDDQVQPYCLB-RKDXNWHRSA-N 1 1 306.330 -1.736 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001445242244 929199110 /nfs/dbraw/zinc/19/91/10/929199110.db2.gz KAYVYRAVYWGWHE-MNOVXSKESA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001445242244 929199118 /nfs/dbraw/zinc/19/91/18/929199118.db2.gz KAYVYRAVYWGWHE-MNOVXSKESA-N 1 1 310.358 -1.965 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001445248380 929199377 /nfs/dbraw/zinc/19/93/77/929199377.db2.gz QKLUAXSEOFERCM-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445257520 929200597 /nfs/dbraw/zinc/20/05/97/929200597.db2.gz RMRKIQTXCRUYOA-NSHDSACASA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001445251984 929201441 /nfs/dbraw/zinc/20/14/41/929201441.db2.gz VYWDTUBCKUDBMH-AXFHLTTASA-N 1 1 310.358 -2.014 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)N1CCCCC1 ZINC001445256032 929202335 /nfs/dbraw/zinc/20/23/35/929202335.db2.gz PRTIGKOFKOEANB-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)N1CCCCC1 ZINC001445256032 929202344 /nfs/dbraw/zinc/20/23/44/929202344.db2.gz PRTIGKOFKOEANB-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001445263503 929203229 /nfs/dbraw/zinc/20/32/29/929203229.db2.gz GFTOQPFZPCBLBE-SECBINFHSA-N 1 1 319.387 -2.184 20 0 DAADMO C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)n1ccnc1 ZINC001445258255 929203268 /nfs/dbraw/zinc/20/32/68/929203268.db2.gz QNKZULOHPLBBHT-WDEREUQCSA-N 1 1 322.373 -1.375 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001445259592 929203749 /nfs/dbraw/zinc/20/37/49/929203749.db2.gz UXLWCTMFSXWIKQ-UWVGGRQHSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1ncnc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445267519 929205637 /nfs/dbraw/zinc/20/56/37/929205637.db2.gz ANRRGWNRCZJQGY-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001445271752 929207300 /nfs/dbraw/zinc/20/73/00/929207300.db2.gz BSDYEIWVHZXAAX-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001445271436 929207461 /nfs/dbraw/zinc/20/74/61/929207461.db2.gz RCXPSAXQJRXYSE-VIFPVBQESA-N 1 1 300.363 -1.583 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445267707 929208220 /nfs/dbraw/zinc/20/82/20/929208220.db2.gz FLCHWUFRNBHSHQ-JTQLQIEISA-N 1 1 309.330 -1.684 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nncn2C)nn1 ZINC001445272266 929209250 /nfs/dbraw/zinc/20/92/50/929209250.db2.gz JQIYVSXVPLHEND-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)nn1 ZINC001445275778 929209419 /nfs/dbraw/zinc/20/94/19/929209419.db2.gz IHTVKGPKISULSI-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nncn2C)nn1 ZINC001445272243 929210211 /nfs/dbraw/zinc/21/02/11/929210211.db2.gz JQIYVSXVPLHEND-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001445279410 929211277 /nfs/dbraw/zinc/21/12/77/929211277.db2.gz QQWVYXCUDLEUTC-JTQLQIEISA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001445279572 929211481 /nfs/dbraw/zinc/21/14/81/929211481.db2.gz RJSVSMHOQYHAJF-NXEZZACHSA-N 1 1 312.374 -1.581 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001445279581 929212822 /nfs/dbraw/zinc/21/28/22/929212822.db2.gz RJSVSMHOQYHAJF-ZJUUUORDSA-N 1 1 312.374 -1.581 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)co1 ZINC001445277584 929213254 /nfs/dbraw/zinc/21/32/54/929213254.db2.gz XSUKZIYULBGPSS-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1COC(=O)N1 ZINC001445367292 929218208 /nfs/dbraw/zinc/21/82/08/929218208.db2.gz UATXAQHOVIZURQ-BDAKNGLRSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1cnn[nH]1 ZINC001445401931 929220075 /nfs/dbraw/zinc/22/00/75/929220075.db2.gz JRSPXCORIRBSBW-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](C[NH2+]Cc1ccon1)NC(=O)CNS(=O)(=O)N(C)C ZINC001445448597 929222440 /nfs/dbraw/zinc/22/24/40/929222440.db2.gz RYRJOXYEDSVMQC-SECBINFHSA-N 1 1 319.387 -1.335 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001445495698 929226541 /nfs/dbraw/zinc/22/65/41/929226541.db2.gz AVAWNVBLKITLPO-GHMZBOCLSA-N 1 1 324.385 -1.543 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445507006 929228992 /nfs/dbraw/zinc/22/89/92/929228992.db2.gz YAKIAGKPBWCCMY-RKDXNWHRSA-N 1 1 316.387 -1.899 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001445514918 929230392 /nfs/dbraw/zinc/23/03/92/929230392.db2.gz KPXDXZBOLJIXPP-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001445515828 929230721 /nfs/dbraw/zinc/23/07/21/929230721.db2.gz XYOMUAVXQLOFDM-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001445515828 929230734 /nfs/dbraw/zinc/23/07/34/929230734.db2.gz XYOMUAVXQLOFDM-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001445515828 929230740 /nfs/dbraw/zinc/23/07/40/929230740.db2.gz XYOMUAVXQLOFDM-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001445515828 929230757 /nfs/dbraw/zinc/23/07/57/929230757.db2.gz XYOMUAVXQLOFDM-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001445515828 929230767 /nfs/dbraw/zinc/23/07/67/929230767.db2.gz XYOMUAVXQLOFDM-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001445508564 929231314 /nfs/dbraw/zinc/23/13/14/929231314.db2.gz UKRYPIDSBVPZFM-CHWSQXEVSA-N 1 1 323.397 -1.089 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001445508700 929232207 /nfs/dbraw/zinc/23/22/07/929232207.db2.gz RDOJSMWEMKVMHC-UWVGGRQHSA-N 1 1 324.385 -1.073 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1COC(=O)N1 ZINC001445557358 929235621 /nfs/dbraw/zinc/23/56/21/929235621.db2.gz WAHDCCYJIIGXLE-IUCAKERBSA-N 1 1 324.341 -1.489 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncs1)NC(=O)Cn1ncn(C)c1=O ZINC001445571203 929235771 /nfs/dbraw/zinc/23/57/71/929235771.db2.gz OQUPMZIDLWEFMG-QMMMGPOBSA-N 1 1 311.371 -1.272 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445561325 929236298 /nfs/dbraw/zinc/23/62/98/929236298.db2.gz HMLRATKSZGMRAO-GMTAPVOTSA-N 1 1 311.386 -1.431 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001445611737 929237706 /nfs/dbraw/zinc/23/77/06/929237706.db2.gz BQQAKENSLNDLIZ-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001445582740 929238144 /nfs/dbraw/zinc/23/81/44/929238144.db2.gz TVQUZPQAFQDHOI-VHSXEESVSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)COCc1nncn1C ZINC001445635390 929243452 /nfs/dbraw/zinc/24/34/52/929243452.db2.gz YRGYWNKZFDIHSP-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445640289 929245706 /nfs/dbraw/zinc/24/57/06/929245706.db2.gz HVUWRPOFLZKBFM-UWVGGRQHSA-N 1 1 322.369 -1.319 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNCc2nnnn2C)C1 ZINC001445657909 929247254 /nfs/dbraw/zinc/24/72/54/929247254.db2.gz OQNRBXMPLKJEBJ-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNCc2nnnn2C)C1 ZINC001445657909 929247262 /nfs/dbraw/zinc/24/72/62/929247262.db2.gz OQNRBXMPLKJEBJ-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COCCO1 ZINC001445690876 929253299 /nfs/dbraw/zinc/25/32/99/929253299.db2.gz HVFLNFJVQMTJMG-QWRGUYRKSA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COCCO1 ZINC001445690876 929253310 /nfs/dbraw/zinc/25/33/10/929253310.db2.gz HVFLNFJVQMTJMG-QWRGUYRKSA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001445720342 929254294 /nfs/dbraw/zinc/25/42/94/929254294.db2.gz SCCCZEPLLREXJH-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001445720342 929254303 /nfs/dbraw/zinc/25/43/03/929254303.db2.gz SCCCZEPLLREXJH-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001445731208 929254542 /nfs/dbraw/zinc/25/45/42/929254542.db2.gz JXGMGDLMIAVSGP-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001445731208 929254552 /nfs/dbraw/zinc/25/45/52/929254552.db2.gz JXGMGDLMIAVSGP-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001445731219 929254746 /nfs/dbraw/zinc/25/47/46/929254746.db2.gz JXGMGDLMIAVSGP-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001445731219 929254754 /nfs/dbraw/zinc/25/47/54/929254754.db2.gz JXGMGDLMIAVSGP-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740528 929256107 /nfs/dbraw/zinc/25/61/07/929256107.db2.gz IGCLDKSBZMIFQD-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740528 929256118 /nfs/dbraw/zinc/25/61/18/929256118.db2.gz IGCLDKSBZMIFQD-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)Cn1nc2ccccn2c1=O ZINC001445783955 929257750 /nfs/dbraw/zinc/25/77/50/929257750.db2.gz XRRNBCKFAGEENF-LLVKDONJSA-N 1 1 307.354 -1.075 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828486 929261064 /nfs/dbraw/zinc/26/10/64/929261064.db2.gz LIZJXVDOLNYUKG-UWVGGRQHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828486 929261077 /nfs/dbraw/zinc/26/10/77/929261077.db2.gz LIZJXVDOLNYUKG-UWVGGRQHSA-N 1 1 312.374 -1.358 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870200 929261972 /nfs/dbraw/zinc/26/19/72/929261972.db2.gz MZVICQCOGQCYES-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870200 929261982 /nfs/dbraw/zinc/26/19/82/929261982.db2.gz MZVICQCOGQCYES-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001445867925 929262060 /nfs/dbraw/zinc/26/20/60/929262060.db2.gz JBCHKZCYHHDBLS-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001445867925 929262071 /nfs/dbraw/zinc/26/20/71/929262071.db2.gz JBCHKZCYHHDBLS-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)nn21 ZINC001445858302 929262101 /nfs/dbraw/zinc/26/21/01/929262101.db2.gz KLRUVSYNFALTOA-QMMMGPOBSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)nn21 ZINC001445858302 929262113 /nfs/dbraw/zinc/26/21/13/929262113.db2.gz KLRUVSYNFALTOA-QMMMGPOBSA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001445957529 929264389 /nfs/dbraw/zinc/26/43/89/929264389.db2.gz WMORFIKDQAKZCD-LLVKDONJSA-N 1 1 319.373 -1.031 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001445925509 929265309 /nfs/dbraw/zinc/26/53/09/929265309.db2.gz CTVOZRGYEOXLFH-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001445927098 929265759 /nfs/dbraw/zinc/26/57/59/929265759.db2.gz FLDBLYMTYGNTRB-KWQFWETISA-N 1 1 309.374 -1.281 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001445997877 929266802 /nfs/dbraw/zinc/26/68/02/929266802.db2.gz JHXABWLFXMBDDH-WDEREUQCSA-N 1 1 317.357 -1.357 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001446028675 929267642 /nfs/dbraw/zinc/26/76/42/929267642.db2.gz MBQUHUNLIOXVIV-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001445987643 929268301 /nfs/dbraw/zinc/26/83/01/929268301.db2.gz YHSILYJWTNWDRZ-OUAUKWLOSA-N 1 1 306.370 -1.079 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001445987648 929268525 /nfs/dbraw/zinc/26/85/25/929268525.db2.gz YHSILYJWTNWDRZ-VWYCJHECSA-N 1 1 306.370 -1.079 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001446028676 929269355 /nfs/dbraw/zinc/26/93/55/929269355.db2.gz MBQUHUNLIOXVIV-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CCN(C)C(=O)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001446033204 929270568 /nfs/dbraw/zinc/27/05/68/929270568.db2.gz DNAMILBCZMAAIS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001446033204 929270577 /nfs/dbraw/zinc/27/05/77/929270577.db2.gz DNAMILBCZMAAIS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001446137382 929276075 /nfs/dbraw/zinc/27/60/75/929276075.db2.gz IRUQFHXETNJXRJ-MRVPVSSYSA-N 1 1 310.358 -1.629 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@@H]3CCNC3=O)CC2)nc1=O ZINC001446174899 929278713 /nfs/dbraw/zinc/27/87/13/929278713.db2.gz HGSVMKQQEUSOOR-VIFPVBQESA-N 1 1 322.369 -1.627 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001446201784 929279122 /nfs/dbraw/zinc/27/91/22/929279122.db2.gz FDJFPYYQDZMNKP-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001446201784 929279139 /nfs/dbraw/zinc/27/91/39/929279139.db2.gz FDJFPYYQDZMNKP-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001446201784 929279153 /nfs/dbraw/zinc/27/91/53/929279153.db2.gz FDJFPYYQDZMNKP-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CC1)Nc1ccon1 ZINC001446223131 929283986 /nfs/dbraw/zinc/28/39/86/929283986.db2.gz HOOVBFHCVVAFFF-MRVPVSSYSA-N 1 1 322.325 -1.467 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001446314614 929285729 /nfs/dbraw/zinc/28/57/29/929285729.db2.gz METQBKFEQLGVDK-UHFFFAOYSA-N 1 1 324.385 -1.147 20 0 DAADMO NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001446308823 929286367 /nfs/dbraw/zinc/28/63/67/929286367.db2.gz JRRTXURSRZLBJM-UHFFFAOYSA-N 1 1 321.385 -1.139 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(NCc3nnn(C)n3)CC2)C1 ZINC001446298777 929286395 /nfs/dbraw/zinc/28/63/95/929286395.db2.gz QTFBMHGVXKQRHO-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(NCc3nnn(C)n3)CC2)C1 ZINC001446298777 929286402 /nfs/dbraw/zinc/28/64/02/929286402.db2.gz QTFBMHGVXKQRHO-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001446359305 929288066 /nfs/dbraw/zinc/28/80/66/929288066.db2.gz BVKREKDKLIIBEJ-UWVGGRQHSA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C(=O)CC[NH+]1CCOCC1)C1CN([C@@H]2CCNC2=O)C1 ZINC001446396047 929288891 /nfs/dbraw/zinc/28/88/91/929288891.db2.gz WYTZJSPVRJKLNW-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001446490056 929293379 /nfs/dbraw/zinc/29/33/79/929293379.db2.gz BWPXUAUOCLKLMR-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001446490056 929293394 /nfs/dbraw/zinc/29/33/94/929293394.db2.gz BWPXUAUOCLKLMR-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001446490059 929293987 /nfs/dbraw/zinc/29/39/87/929293987.db2.gz BWPXUAUOCLKLMR-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001446490059 929294000 /nfs/dbraw/zinc/29/40/00/929294000.db2.gz BWPXUAUOCLKLMR-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CCNC(=O)C[NH+]1CCC(C)(NC(=O)Cn2ncnn2)CC1 ZINC001446462913 929294628 /nfs/dbraw/zinc/29/46/28/929294628.db2.gz MDQWCXRBWGPPCD-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446513558 929295788 /nfs/dbraw/zinc/29/57/88/929295788.db2.gz CKJPZHRNYCMWPU-CYBMUJFWSA-N 1 1 313.358 -1.760 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446513558 929295797 /nfs/dbraw/zinc/29/57/97/929295797.db2.gz CKJPZHRNYCMWPU-CYBMUJFWSA-N 1 1 313.358 -1.760 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001446526610 929296336 /nfs/dbraw/zinc/29/63/36/929296336.db2.gz OYWKOOKVIPDRJM-AWEZNQCLSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001446543185 929298574 /nfs/dbraw/zinc/29/85/74/929298574.db2.gz VSFXZVSJJUONKK-QMTHXVAHSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@H+](CCO)C1 ZINC001446557007 929298607 /nfs/dbraw/zinc/29/86/07/929298607.db2.gz HXWPFXCGSOSIGQ-ZDUSSCGKSA-N 1 1 319.427 -1.710 20 0 DAADMO C[C@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@@H+](CCO)C1 ZINC001446557007 929298619 /nfs/dbraw/zinc/29/86/19/929298619.db2.gz HXWPFXCGSOSIGQ-ZDUSSCGKSA-N 1 1 319.427 -1.710 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446542468 929298719 /nfs/dbraw/zinc/29/87/19/929298719.db2.gz UVXSZOIZBJLMPZ-YGRLFVJLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446542468 929298729 /nfs/dbraw/zinc/29/87/29/929298729.db2.gz UVXSZOIZBJLMPZ-YGRLFVJLSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001446545523 929298804 /nfs/dbraw/zinc/29/88/04/929298804.db2.gz VGFBLIZXMRNPKW-MAWWSGROSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001446545523 929298813 /nfs/dbraw/zinc/29/88/13/929298813.db2.gz VGFBLIZXMRNPKW-MAWWSGROSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446542589 929299307 /nfs/dbraw/zinc/29/93/07/929299307.db2.gz MODPUQXTIYBCAH-ABAIWWIYSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001446545522 929299963 /nfs/dbraw/zinc/29/99/63/929299963.db2.gz VGFBLIZXMRNPKW-GOMXZESMSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001446545522 929299973 /nfs/dbraw/zinc/29/99/73/929299973.db2.gz VGFBLIZXMRNPKW-GOMXZESMSA-N 1 1 324.381 -1.085 20 0 DAADMO NC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH]nn2)CCOCC1 ZINC001446708528 929302368 /nfs/dbraw/zinc/30/23/68/929302368.db2.gz ACPZBURPPYVZLR-UHFFFAOYSA-N 1 1 310.358 -1.522 20 0 DAADMO NC(=O)C[NH2+]C1(CNC(=O)CCc2cnn[nH]2)CCOCC1 ZINC001446708528 929302381 /nfs/dbraw/zinc/30/23/81/929302381.db2.gz ACPZBURPPYVZLR-UHFFFAOYSA-N 1 1 310.358 -1.522 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001446736014 929305017 /nfs/dbraw/zinc/30/50/17/929305017.db2.gz JRSYGNVLUFMKFF-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446734751 929305208 /nfs/dbraw/zinc/30/52/08/929305208.db2.gz IUKVWEPKPRHPBL-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446734751 929305217 /nfs/dbraw/zinc/30/52/17/929305217.db2.gz IUKVWEPKPRHPBL-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cncnc3)C2)C1=O ZINC001446733717 929305351 /nfs/dbraw/zinc/30/53/51/929305351.db2.gz ALZSGTPILVKHLH-SWLSCSKDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1)N1CCC1 ZINC001446736305 929305625 /nfs/dbraw/zinc/30/56/25/929305625.db2.gz DPWLGKJDGHGMRG-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1)N1CCC1 ZINC001446736305 929305639 /nfs/dbraw/zinc/30/56/39/929305639.db2.gz DPWLGKJDGHGMRG-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001446739238 929305863 /nfs/dbraw/zinc/30/58/63/929305863.db2.gz DCLHMFQKIKHKTK-AWEZNQCLSA-N 1 1 322.369 -1.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001446739238 929305870 /nfs/dbraw/zinc/30/58/70/929305870.db2.gz DCLHMFQKIKHKTK-AWEZNQCLSA-N 1 1 322.369 -1.686 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446734750 929306066 /nfs/dbraw/zinc/30/60/66/929306066.db2.gz IUKVWEPKPRHPBL-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446734750 929306073 /nfs/dbraw/zinc/30/60/73/929306073.db2.gz IUKVWEPKPRHPBL-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C)cn2)C1 ZINC001446731555 929306656 /nfs/dbraw/zinc/30/66/56/929306656.db2.gz AZJVDWXPSIWSEI-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446736347 929306843 /nfs/dbraw/zinc/30/68/43/929306843.db2.gz KGGAJNYYPJTPHK-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001446736347 929306855 /nfs/dbraw/zinc/30/68/55/929306855.db2.gz KGGAJNYYPJTPHK-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001446719639 929306909 /nfs/dbraw/zinc/30/69/09/929306909.db2.gz GSLOATZLTBVAMZ-LLVKDONJSA-N 1 1 308.285 -1.740 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001446719639 929306921 /nfs/dbraw/zinc/30/69/21/929306921.db2.gz GSLOATZLTBVAMZ-LLVKDONJSA-N 1 1 308.285 -1.740 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001446735583 929306975 /nfs/dbraw/zinc/30/69/75/929306975.db2.gz IERWGZIUKSOWJX-OCCSQVGLSA-N 1 1 312.370 -1.557 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001446739249 929307008 /nfs/dbraw/zinc/30/70/08/929307008.db2.gz DDIQMHXCAYFJCH-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001446739249 929307018 /nfs/dbraw/zinc/30/70/18/929307018.db2.gz DDIQMHXCAYFJCH-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001446717709 929307120 /nfs/dbraw/zinc/30/71/20/929307120.db2.gz ABPLLXCRUBJEBJ-OTYXRUKQSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001446717709 929307130 /nfs/dbraw/zinc/30/71/30/929307130.db2.gz ABPLLXCRUBJEBJ-OTYXRUKQSA-N 1 1 312.370 -1.077 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001446746942 929307735 /nfs/dbraw/zinc/30/77/35/929307735.db2.gz AHXOVXNAMKNHAN-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741713 929308260 /nfs/dbraw/zinc/30/82/60/929308260.db2.gz ATIOPCXPRJAVMO-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741713 929308269 /nfs/dbraw/zinc/30/82/69/929308269.db2.gz ATIOPCXPRJAVMO-IINYFYTJSA-N 1 1 309.370 -1.611 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446752956 929308412 /nfs/dbraw/zinc/30/84/12/929308412.db2.gz DCBQHMQKSKRGCM-HNNXBMFYSA-N 1 1 323.397 -1.256 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446752956 929308423 /nfs/dbraw/zinc/30/84/23/929308423.db2.gz DCBQHMQKSKRGCM-HNNXBMFYSA-N 1 1 323.397 -1.256 20 0 DAADMO COCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)nn1 ZINC001446751246 929309205 /nfs/dbraw/zinc/30/92/05/929309205.db2.gz BRYBXEZDEUGWFF-ZDUSSCGKSA-N 1 1 313.358 -1.917 20 0 DAADMO Cn1ncnc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446750398 929309275 /nfs/dbraw/zinc/30/92/75/929309275.db2.gz WZBWEOKIZAVLMM-SWLSCSKDSA-N 1 1 322.413 -1.038 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001446741814 929309387 /nfs/dbraw/zinc/30/93/87/929309387.db2.gz SBXRGQPTZYCHPD-SWLSCSKDSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001446747775 929309540 /nfs/dbraw/zinc/30/95/40/929309540.db2.gz LLHZNDHICJODSY-DOMZBBRYSA-N 1 1 323.397 -1.121 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446752959 929310019 /nfs/dbraw/zinc/31/00/19/929310019.db2.gz DCBQHMQKSKRGCM-OAHLLOKOSA-N 1 1 323.397 -1.256 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446752959 929310028 /nfs/dbraw/zinc/31/00/28/929310028.db2.gz DCBQHMQKSKRGCM-OAHLLOKOSA-N 1 1 323.397 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741728 929310799 /nfs/dbraw/zinc/31/07/99/929310799.db2.gz ATIOPCXPRJAVMO-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741728 929310812 /nfs/dbraw/zinc/31/08/12/929310812.db2.gz ATIOPCXPRJAVMO-YGRLFVJLSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760239 929311516 /nfs/dbraw/zinc/31/15/16/929311516.db2.gz PEVLURAQKMPUQY-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446760239 929311531 /nfs/dbraw/zinc/31/15/31/929311531.db2.gz PEVLURAQKMPUQY-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001446760364 929311923 /nfs/dbraw/zinc/31/19/23/929311923.db2.gz PHQXEDUOQSTZHU-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001446760651 929312119 /nfs/dbraw/zinc/31/21/19/929312119.db2.gz SHWJKVHSASHIJK-CABZTGNLSA-N 1 1 319.383 -2.528 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001446760651 929312130 /nfs/dbraw/zinc/31/21/30/929312130.db2.gz SHWJKVHSASHIJK-CABZTGNLSA-N 1 1 319.383 -2.528 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001446756968 929312687 /nfs/dbraw/zinc/31/26/87/929312687.db2.gz FVSCUSUFARLUQM-IINYFYTJSA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446755449 929313696 /nfs/dbraw/zinc/31/36/96/929313696.db2.gz AQQHYOBFEQBVKX-YGRLFVJLSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753718 929314181 /nfs/dbraw/zinc/31/41/81/929314181.db2.gz DOJJDRYQJMASTQ-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753718 929314191 /nfs/dbraw/zinc/31/41/91/929314191.db2.gz DOJJDRYQJMASTQ-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446768883 929315077 /nfs/dbraw/zinc/31/50/77/929315077.db2.gz YYPVMWSOMYZMHL-HNNXBMFYSA-N 1 1 321.381 -1.001 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446768883 929315091 /nfs/dbraw/zinc/31/50/91/929315091.db2.gz YYPVMWSOMYZMHL-HNNXBMFYSA-N 1 1 321.381 -1.001 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446765551 929315119 /nfs/dbraw/zinc/31/51/19/929315119.db2.gz YJDNJUJMYDZBNT-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1=O ZINC001446764136 929315466 /nfs/dbraw/zinc/31/54/66/929315466.db2.gz SQOFPTXNRVGWPZ-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001446770289 929316425 /nfs/dbraw/zinc/31/64/25/929316425.db2.gz RHXKTXDTYBFJIB-ZWNOBZJWSA-N 1 1 301.343 -2.170 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001446770289 929316428 /nfs/dbraw/zinc/31/64/28/929316428.db2.gz RHXKTXDTYBFJIB-ZWNOBZJWSA-N 1 1 301.343 -2.170 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761803 929316473 /nfs/dbraw/zinc/31/64/73/929316473.db2.gz CRUBNTANALJRMS-YMTOWFKASA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1c(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761803 929316480 /nfs/dbraw/zinc/31/64/80/929316480.db2.gz CRUBNTANALJRMS-YMTOWFKASA-N 1 1 323.353 -1.819 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001446763183 929316553 /nfs/dbraw/zinc/31/65/53/929316553.db2.gz RHCJSVIKPOVWPT-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO CS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001446763183 929316558 /nfs/dbraw/zinc/31/65/58/929316558.db2.gz RHCJSVIKPOVWPT-LBPRGKRZSA-N 1 1 308.400 -1.644 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@]3(O)CC[N@@H+](CCO)C3)cnc21 ZINC001446763578 929316732 /nfs/dbraw/zinc/31/67/32/929316732.db2.gz XXTAXJBAVBQMIX-AWEZNQCLSA-N 1 1 320.353 -1.478 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446761411 929317352 /nfs/dbraw/zinc/31/73/52/929317352.db2.gz HUJAZERNELFJAT-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446761411 929317358 /nfs/dbraw/zinc/31/73/58/929317358.db2.gz HUJAZERNELFJAT-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC3CCOCC3)C2)n1 ZINC001446778527 929318697 /nfs/dbraw/zinc/31/86/97/929318697.db2.gz ZPBSKZVNHHWJAU-CQSZACIVSA-N 1 1 324.385 -1.197 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001446779312 929318892 /nfs/dbraw/zinc/31/88/92/929318892.db2.gz UUOPWVVZOSRIRA-AWEZNQCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001446779312 929318896 /nfs/dbraw/zinc/31/88/96/929318896.db2.gz UUOPWVVZOSRIRA-AWEZNQCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CO[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)c1cnn(C)c1 ZINC001446779771 929319337 /nfs/dbraw/zinc/31/93/37/929319337.db2.gz VEGNHFNRUWHSDT-TZMCWYRMSA-N 1 1 312.370 -1.347 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001446771748 929319833 /nfs/dbraw/zinc/31/98/33/929319833.db2.gz SVZYROPEZPPAFP-OUCADQQQSA-N 1 1 304.387 -1.436 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001446780156 929319912 /nfs/dbraw/zinc/31/99/12/929319912.db2.gz XRWZNQADMJPXCE-RISCZKNCSA-N 1 1 314.386 -1.354 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446783545 929320877 /nfs/dbraw/zinc/32/08/77/929320877.db2.gz PAJIZFJSMGXSAD-QMTHXVAHSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446783545 929320887 /nfs/dbraw/zinc/32/08/87/929320887.db2.gz PAJIZFJSMGXSAD-QMTHXVAHSA-N 1 1 307.354 -1.227 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446774839 929321160 /nfs/dbraw/zinc/32/11/60/929321160.db2.gz KKYYKDWGKIHTOG-QMTHXVAHSA-N 1 1 314.386 -1.813 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446774839 929321173 /nfs/dbraw/zinc/32/11/73/929321173.db2.gz KKYYKDWGKIHTOG-QMTHXVAHSA-N 1 1 314.386 -1.813 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001446774602 929321490 /nfs/dbraw/zinc/32/14/90/929321490.db2.gz LGBCJWOBEQSRRD-STQMWFEESA-N 1 1 303.334 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001446774602 929321497 /nfs/dbraw/zinc/32/14/97/929321497.db2.gz LGBCJWOBEQSRRD-STQMWFEESA-N 1 1 303.334 -1.586 20 0 DAADMO Cn1cnnc1CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446787897 929322094 /nfs/dbraw/zinc/32/20/94/929322094.db2.gz AKWYMGITIYGNIO-DOMZBBRYSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446792301 929322233 /nfs/dbraw/zinc/32/22/33/929322233.db2.gz ZWZFKDZNMVXUAQ-OAHLLOKOSA-N 1 1 324.381 -1.490 20 0 DAADMO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446791566 929322310 /nfs/dbraw/zinc/32/23/10/929322310.db2.gz KSKQXQVGKLXZAI-CQSZACIVSA-N 1 1 307.354 -1.309 20 0 DAADMO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446791566 929322324 /nfs/dbraw/zinc/32/23/24/929322324.db2.gz KSKQXQVGKLXZAI-CQSZACIVSA-N 1 1 307.354 -1.309 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001446790092 929322864 /nfs/dbraw/zinc/32/28/64/929322864.db2.gz WGTTYTKXMXHAAK-MEBBXXQBSA-N 1 1 324.381 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001446790092 929322873 /nfs/dbraw/zinc/32/28/73/929322873.db2.gz WGTTYTKXMXHAAK-MEBBXXQBSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446789957 929322996 /nfs/dbraw/zinc/32/29/96/929322996.db2.gz FWPOBNSWDVLJOD-SWLSCSKDSA-N 1 1 306.366 -1.001 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446789957 929323007 /nfs/dbraw/zinc/32/30/07/929323007.db2.gz FWPOBNSWDVLJOD-SWLSCSKDSA-N 1 1 306.366 -1.001 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786547 929323487 /nfs/dbraw/zinc/32/34/87/929323487.db2.gz VWKSYRFTHBTULO-WCQYABFASA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786547 929323496 /nfs/dbraw/zinc/32/34/96/929323496.db2.gz VWKSYRFTHBTULO-WCQYABFASA-N 1 1 322.427 -1.255 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001446791647 929323518 /nfs/dbraw/zinc/32/35/18/929323518.db2.gz KYGKLJZYFHNDJL-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001446791647 929323530 /nfs/dbraw/zinc/32/35/30/929323530.db2.gz KYGKLJZYFHNDJL-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001446783698 929324048 /nfs/dbraw/zinc/32/40/48/929324048.db2.gz GSGYLDWYUSXOHN-GFCCVEGCSA-N 1 1 322.431 -1.655 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001446784820 929324384 /nfs/dbraw/zinc/32/43/84/929324384.db2.gz SPDLONNQDLLFFP-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001446784820 929324398 /nfs/dbraw/zinc/32/43/98/929324398.db2.gz SPDLONNQDLLFFP-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001446784820 929324412 /nfs/dbraw/zinc/32/44/12/929324412.db2.gz SPDLONNQDLLFFP-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)c[nH]1 ZINC001446790422 929324659 /nfs/dbraw/zinc/32/46/59/929324659.db2.gz IMLDVXJKCLGADG-AWEZNQCLSA-N 1 1 310.354 -1.337 20 0 DAADMO Cn1cnnc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446787899 929324832 /nfs/dbraw/zinc/32/48/32/929324832.db2.gz AKWYMGITIYGNIO-IUODEOHRSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446810318 929325532 /nfs/dbraw/zinc/32/55/32/929325532.db2.gz CFKCYMGPOBJUBF-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446810318 929325543 /nfs/dbraw/zinc/32/55/43/929325543.db2.gz CFKCYMGPOBJUBF-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446811615 929325907 /nfs/dbraw/zinc/32/59/07/929325907.db2.gz ZIVUKXVMIMRTGD-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446811615 929325912 /nfs/dbraw/zinc/32/59/12/929325912.db2.gz ZIVUKXVMIMRTGD-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001446812520 929327856 /nfs/dbraw/zinc/32/78/56/929327856.db2.gz ZAOUZHVZPVJNEP-CQSZACIVSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001446812520 929327864 /nfs/dbraw/zinc/32/78/64/929327864.db2.gz ZAOUZHVZPVJNEP-CQSZACIVSA-N 1 1 324.385 -1.644 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001446801912 929327998 /nfs/dbraw/zinc/32/79/98/929327998.db2.gz HMZYKXNWYJKHBP-OAHLLOKOSA-N 1 1 324.381 -1.167 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)nn1 ZINC001446820910 929328804 /nfs/dbraw/zinc/32/88/04/929328804.db2.gz WGMYCRXKVQYSQS-AWEZNQCLSA-N 1 1 311.386 -1.317 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001446825683 929329563 /nfs/dbraw/zinc/32/95/63/929329563.db2.gz BIIARUKBNRWXOS-VHSXEESVSA-N 1 1 300.359 -2.646 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001446825683 929329572 /nfs/dbraw/zinc/32/95/72/929329572.db2.gz BIIARUKBNRWXOS-VHSXEESVSA-N 1 1 300.359 -2.646 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001446820114 929330030 /nfs/dbraw/zinc/33/00/30/929330030.db2.gz SYZMBLXZJMYDIS-XHDPSFHLSA-N 1 1 311.382 -1.159 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001446820114 929330038 /nfs/dbraw/zinc/33/00/38/929330038.db2.gz SYZMBLXZJMYDIS-XHDPSFHLSA-N 1 1 311.382 -1.159 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001446827863 929330742 /nfs/dbraw/zinc/33/07/42/929330742.db2.gz HZJMFIFSENLEGI-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CCC[C@H]2CCOC2)C1 ZINC001446827864 929330960 /nfs/dbraw/zinc/33/09/60/929330960.db2.gz HZJMFIFSENLEGI-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO Cc1ncc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001446830922 929331651 /nfs/dbraw/zinc/33/16/51/929331651.db2.gz XXQRRVVJGLHQOP-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1ncc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001446830922 929331664 /nfs/dbraw/zinc/33/16/64/929331664.db2.gz XXQRRVVJGLHQOP-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3ncccn3)C2)C1 ZINC001446837878 929335401 /nfs/dbraw/zinc/33/54/01/929335401.db2.gz OMWPQGZEBTZSED-GFCCVEGCSA-N 1 1 321.381 -1.530 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(Cc3ncccn3)C2)C1 ZINC001446837878 929335413 /nfs/dbraw/zinc/33/54/13/929335413.db2.gz OMWPQGZEBTZSED-GFCCVEGCSA-N 1 1 321.381 -1.530 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446850474 929337208 /nfs/dbraw/zinc/33/72/08/929337208.db2.gz RLDVAUQDZBPKBM-GFCCVEGCSA-N 1 1 322.413 -1.038 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001446841692 929337603 /nfs/dbraw/zinc/33/76/03/929337603.db2.gz HKXLBFYPZQEIOR-UHFFFAOYSA-N 1 1 322.431 -1.704 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001446857764 929340580 /nfs/dbraw/zinc/34/05/80/929340580.db2.gz QGPHKHYMXZPGGF-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO CO[C@@H](C)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446892003 929348460 /nfs/dbraw/zinc/34/84/60/929348460.db2.gz RCPJKKYIPBECMF-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001446898162 929349146 /nfs/dbraw/zinc/34/91/46/929349146.db2.gz WSBURVRBBJRAKX-UHFFFAOYSA-N 1 1 322.431 -1.799 20 0 DAADMO CN1CCC[C@@H](N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001446908373 929350481 /nfs/dbraw/zinc/35/04/81/929350481.db2.gz AFPXNULPDHHWBY-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)NCC)C1 ZINC001446905942 929350573 /nfs/dbraw/zinc/35/05/73/929350573.db2.gz ONZOCWMEWVHTIU-UHFFFAOYSA-N 1 1 300.403 -1.373 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001446907219 929350716 /nfs/dbraw/zinc/35/07/16/929350716.db2.gz XSICNBFURPIVKM-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CCn1cc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001446913318 929351173 /nfs/dbraw/zinc/35/11/73/929351173.db2.gz QRKPSMIKLPDGQC-GFCCVEGCSA-N 1 1 322.413 -1.087 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CCN3CCCC3=O)C2)C1 ZINC001446911448 929351282 /nfs/dbraw/zinc/35/12/82/929351282.db2.gz LNEHMBNVUBLLHG-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO CCn1nncc1CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446913312 929351433 /nfs/dbraw/zinc/35/14/33/929351433.db2.gz QQSYDPXBMSOEOY-GFCCVEGCSA-N 1 1 322.413 -1.087 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2nnnn2C)C1 ZINC001446919403 929352638 /nfs/dbraw/zinc/35/26/38/929352638.db2.gz MGWDFCHUTPPBNH-UHFFFAOYSA-N 1 1 311.390 -1.787 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001446929848 929353203 /nfs/dbraw/zinc/35/32/03/929353203.db2.gz XNRLFROPIATXSX-SRVKXCTJSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001446946271 929354468 /nfs/dbraw/zinc/35/44/68/929354468.db2.gz WOKBWPRQPJLOTG-NXEZZACHSA-N 1 1 324.389 -1.534 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001446970409 929355813 /nfs/dbraw/zinc/35/58/13/929355813.db2.gz GHOJXDAAOKZDPW-DTORHVGOSA-N 1 1 306.326 -1.392 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001446970409 929355818 /nfs/dbraw/zinc/35/58/18/929355818.db2.gz GHOJXDAAOKZDPW-DTORHVGOSA-N 1 1 306.326 -1.392 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001446970409 929355826 /nfs/dbraw/zinc/35/58/26/929355826.db2.gz GHOJXDAAOKZDPW-DTORHVGOSA-N 1 1 306.326 -1.392 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001446981279 929356481 /nfs/dbraw/zinc/35/64/81/929356481.db2.gz QKMXYZUULVWNHY-DTORHVGOSA-N 1 1 322.325 -1.471 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001446981279 929356493 /nfs/dbraw/zinc/35/64/93/929356493.db2.gz QKMXYZUULVWNHY-DTORHVGOSA-N 1 1 322.325 -1.471 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001446971657 929357310 /nfs/dbraw/zinc/35/73/10/929357310.db2.gz GEVITYXFZYIZMC-JFGNBEQYSA-N 1 1 312.370 -1.412 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001447006029 929358456 /nfs/dbraw/zinc/35/84/56/929358456.db2.gz IUBIQEPLAXHTPO-ABAIWWIYSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001447005742 929360094 /nfs/dbraw/zinc/36/00/94/929360094.db2.gz VMBFQFWCAIEZON-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001447018686 929362355 /nfs/dbraw/zinc/36/23/55/929362355.db2.gz SQOCRROGWFKTEI-OAHLLOKOSA-N 1 1 313.398 -1.210 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(CCO)CC[NH2+][C@@H](C)c1nnnn1C ZINC001447063086 929368330 /nfs/dbraw/zinc/36/83/30/929368330.db2.gz XWAUUJQDBRBMGF-WDEREUQCSA-N 1 1 314.390 -1.302 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001447098860 929369795 /nfs/dbraw/zinc/36/97/95/929369795.db2.gz BURHWUPMUAIOLS-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@@H]1CCCOC1 ZINC001447098860 929369804 /nfs/dbraw/zinc/36/98/04/929369804.db2.gz BURHWUPMUAIOLS-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001447157149 929373245 /nfs/dbraw/zinc/37/32/45/929373245.db2.gz HZMIMQQRQHZXIJ-GHMZBOCLSA-N 1 1 321.385 -1.214 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)c1=O ZINC001447144946 929373297 /nfs/dbraw/zinc/37/32/97/929373297.db2.gz SMTHQIIUCZVKSR-GFCCVEGCSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)c1=O ZINC001447144946 929373308 /nfs/dbraw/zinc/37/33/08/929373308.db2.gz SMTHQIIUCZVKSR-GFCCVEGCSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001447232302 929376621 /nfs/dbraw/zinc/37/66/21/929376621.db2.gz UWXDXMYXQOBTLI-SECBINFHSA-N 1 1 307.358 -1.375 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 ZINC001447218662 929376865 /nfs/dbraw/zinc/37/68/65/929376865.db2.gz KZXRWJIKSBVHQY-JTQLQIEISA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CN2CCCC2=O)CCC1 ZINC001447188431 929376918 /nfs/dbraw/zinc/37/69/18/929376918.db2.gz PNPBTASMTIUPOC-UHFFFAOYSA-N 1 1 321.385 -1.039 20 0 DAADMO COCCC(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001447265802 929378018 /nfs/dbraw/zinc/37/80/18/929378018.db2.gz MMRVPGWXASKQFZ-SNVBAGLBSA-N 1 1 313.358 -1.538 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001447303275 929383739 /nfs/dbraw/zinc/38/37/39/929383739.db2.gz USRJBGNRIGAOMG-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cnnn1 ZINC001447322138 929384747 /nfs/dbraw/zinc/38/47/47/929384747.db2.gz XMWALEPNIPTXFH-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001447376003 929387754 /nfs/dbraw/zinc/38/77/54/929387754.db2.gz HFCUOKQKSPMOQZ-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO COC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001447332542 929387913 /nfs/dbraw/zinc/38/79/13/929387913.db2.gz XEOSIVIPYXDHSD-UHFFFAOYSA-N 1 1 317.346 -1.682 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCn1cnnn1)O2 ZINC001447387215 929388721 /nfs/dbraw/zinc/38/87/21/929388721.db2.gz PMPJQTGUQNXPNN-VXGBXAGGSA-N 1 1 324.385 -1.206 20 0 DAADMO CCCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001447457088 929392597 /nfs/dbraw/zinc/39/25/97/929392597.db2.gz FBUUWHQHZIYTNE-CQSZACIVSA-N 1 1 324.385 -1.112 20 0 DAADMO NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001447453635 929393119 /nfs/dbraw/zinc/39/31/19/929393119.db2.gz WLXGLZOZRLGOID-CQSZACIVSA-N 1 1 309.370 -1.229 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001447564712 929399270 /nfs/dbraw/zinc/39/92/70/929399270.db2.gz JZDNMEHXABNABR-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO O=C(Cn1cnnn1)N1CCC(O)(C[NH2+]Cc2ccon2)CC1 ZINC001447592041 929401154 /nfs/dbraw/zinc/40/11/54/929401154.db2.gz WNLCAOIUWCMWRR-UHFFFAOYSA-N 1 1 321.341 -1.196 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2cocn2)CC1 ZINC001447596171 929402135 /nfs/dbraw/zinc/40/21/35/929402135.db2.gz SNECLFYRUCYFQG-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO Cn1ncc(C[NH2+]CC2(O)CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC001447603396 929402171 /nfs/dbraw/zinc/40/21/71/929402171.db2.gz WUFYOLCRVMGXCX-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC001447582021 929402595 /nfs/dbraw/zinc/40/25/95/929402595.db2.gz BKPZWWGHIHINHB-UHFFFAOYSA-N 1 1 311.430 -1.358 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001447637395 929403536 /nfs/dbraw/zinc/40/35/36/929403536.db2.gz KHCVEGSYKHEUHI-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001447631932 929404197 /nfs/dbraw/zinc/40/41/97/929404197.db2.gz KRXOGHQQUCFWSF-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001447631932 929404201 /nfs/dbraw/zinc/40/42/01/929404201.db2.gz KRXOGHQQUCFWSF-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC001447618154 929404230 /nfs/dbraw/zinc/40/42/30/929404230.db2.gz QSZWZJIGQYLMEP-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001447630500 929404347 /nfs/dbraw/zinc/40/43/47/929404347.db2.gz IIVHEBKJWQJICR-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CN(C)C(C)=O)CC1 ZINC001447703727 929407324 /nfs/dbraw/zinc/40/73/24/929407324.db2.gz MUCLEVGYZHKIRW-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CO)CCN(CC(N)=O)CC2)C1 ZINC001447730405 929410054 /nfs/dbraw/zinc/41/00/54/929410054.db2.gz PEMBGMHUHKOAKA-GFCCVEGCSA-N 1 1 312.414 -1.243 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCF)CC2)O1 ZINC001447725441 929410365 /nfs/dbraw/zinc/41/03/65/929410365.db2.gz AAGDVAKYKNXCGH-WDEREUQCSA-N 1 1 317.361 -1.068 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001447731308 929410529 /nfs/dbraw/zinc/41/05/29/929410529.db2.gz UGRKWLDODLLQEM-SECBINFHSA-N 1 1 310.358 -1.836 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]cn2)CC1 ZINC001447729684 929410563 /nfs/dbraw/zinc/41/05/63/929410563.db2.gz MGNAJRGCLJMHJW-UHFFFAOYSA-N 1 1 309.370 -1.359 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001447756259 929410740 /nfs/dbraw/zinc/41/07/40/929410740.db2.gz ANHZTBRWMFEFHV-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001447775527 929412368 /nfs/dbraw/zinc/41/23/68/929412368.db2.gz AYWFXXOKTFFKSH-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001447775527 929412373 /nfs/dbraw/zinc/41/23/73/929412373.db2.gz AYWFXXOKTFFKSH-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc2nnnn2C)[nH]1 ZINC001447840814 929415856 /nfs/dbraw/zinc/41/58/56/929415856.db2.gz FZAVBOAGQVJGKH-JGVFFNPUSA-N 1 1 307.362 -1.138 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001447856254 929416225 /nfs/dbraw/zinc/41/62/25/929416225.db2.gz URUIVGMPKCYOEJ-MWLCHTKSSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001447856254 929416233 /nfs/dbraw/zinc/41/62/33/929416233.db2.gz URUIVGMPKCYOEJ-MWLCHTKSSA-N 1 1 324.385 -1.311 20 0 DAADMO CC(C)[NH+]1CC(NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001447920394 929418607 /nfs/dbraw/zinc/41/86/07/929418607.db2.gz DRHGSHKAUPTAJX-UHFFFAOYSA-N 1 1 323.353 -1.353 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCS(C)(=O)=O ZINC001447938712 929418632 /nfs/dbraw/zinc/41/86/32/929418632.db2.gz FKJPUGIDUVZBEN-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001447987611 929421340 /nfs/dbraw/zinc/42/13/40/929421340.db2.gz BPLJCEGCYYXYGF-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001447987611 929421346 /nfs/dbraw/zinc/42/13/46/929421346.db2.gz BPLJCEGCYYXYGF-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CCN1CCNC1=O ZINC001448016442 929422558 /nfs/dbraw/zinc/42/25/58/929422558.db2.gz UHOFPXOLDBHSGR-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)n1cncn1)[N@H+](C)CC(=O)NC(N)=O ZINC001448017306 929423467 /nfs/dbraw/zinc/42/34/67/929423467.db2.gz VFPJXPMUTBITHC-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)n1cncn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448017306 929423471 /nfs/dbraw/zinc/42/34/71/929423471.db2.gz VFPJXPMUTBITHC-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001448011658 929423714 /nfs/dbraw/zinc/42/37/14/929423714.db2.gz CZBOJVUNYRJHGV-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001448011658 929423721 /nfs/dbraw/zinc/42/37/21/929423721.db2.gz CZBOJVUNYRJHGV-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001448033582 929425300 /nfs/dbraw/zinc/42/53/00/929425300.db2.gz GQOGEVJMTYBRME-ZJUUUORDSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001448033582 929425304 /nfs/dbraw/zinc/42/53/04/929425304.db2.gz GQOGEVJMTYBRME-ZJUUUORDSA-N 1 1 301.391 -1.171 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001448039087 929425743 /nfs/dbraw/zinc/42/57/43/929425743.db2.gz MOXHQHAEOKSGRZ-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001448039094 929425804 /nfs/dbraw/zinc/42/58/04/929425804.db2.gz MOXHQHAEOKSGRZ-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001448030001 929425860 /nfs/dbraw/zinc/42/58/60/929425860.db2.gz BAJZATGAGUHSCN-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001448030001 929425867 /nfs/dbraw/zinc/42/58/67/929425867.db2.gz BAJZATGAGUHSCN-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448024729 929426204 /nfs/dbraw/zinc/42/62/04/929426204.db2.gz KDSWZKUFRCGLRI-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO Cc1c(CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001448030325 929426634 /nfs/dbraw/zinc/42/66/34/929426634.db2.gz CNOVZUOHQZVKND-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001448030325 929426644 /nfs/dbraw/zinc/42/66/44/929426644.db2.gz CNOVZUOHQZVKND-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037926 929426800 /nfs/dbraw/zinc/42/68/00/929426800.db2.gz AAOCCJHNAQLJCW-ZJUUUORDSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037926 929426806 /nfs/dbraw/zinc/42/68/06/929426806.db2.gz AAOCCJHNAQLJCW-ZJUUUORDSA-N 1 1 312.374 -1.847 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COCCN1CC(F)F)[N@H+](C)CC(N)=O ZINC001448071742 929427498 /nfs/dbraw/zinc/42/74/98/929427498.db2.gz QMCZAYTZLMLUPG-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COCCN1CC(F)F)[N@@H+](C)CC(N)=O ZINC001448071742 929427503 /nfs/dbraw/zinc/42/75/03/929427503.db2.gz QMCZAYTZLMLUPG-VHSXEESVSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001448047075 929427520 /nfs/dbraw/zinc/42/75/20/929427520.db2.gz OLEJAITXIWJMGJ-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001448047075 929427529 /nfs/dbraw/zinc/42/75/29/929427529.db2.gz OLEJAITXIWJMGJ-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001448061554 929428229 /nfs/dbraw/zinc/42/82/29/929428229.db2.gz CMLGWDPBBSBSCA-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001448061554 929428232 /nfs/dbraw/zinc/42/82/32/929428232.db2.gz CMLGWDPBBSBSCA-LLVKDONJSA-N 1 1 313.402 -2.009 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001448075066 929429073 /nfs/dbraw/zinc/42/90/73/929429073.db2.gz OASBDBHSPUALJU-DTWKUNHWSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001448075066 929429069 /nfs/dbraw/zinc/42/90/69/929429069.db2.gz OASBDBHSPUALJU-DTWKUNHWSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001448105614 929429918 /nfs/dbraw/zinc/42/99/18/929429918.db2.gz ACEMECWXAFLTNW-NXEZZACHSA-N 1 1 300.359 -1.254 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001448105617 929429953 /nfs/dbraw/zinc/42/99/53/929429953.db2.gz ACEMECWXAFLTNW-UWVGGRQHSA-N 1 1 300.359 -1.254 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001448111373 929430361 /nfs/dbraw/zinc/43/03/61/929430361.db2.gz ZKSFAGIQALIQBA-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448111373 929430369 /nfs/dbraw/zinc/43/03/69/929430369.db2.gz ZKSFAGIQALIQBA-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001448111378 929430423 /nfs/dbraw/zinc/43/04/23/929430423.db2.gz ZKSFAGIQALIQBA-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448111378 929430429 /nfs/dbraw/zinc/43/04/29/929430429.db2.gz ZKSFAGIQALIQBA-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001448111370 929430861 /nfs/dbraw/zinc/43/08/61/929430861.db2.gz ZKSFAGIQALIQBA-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448111370 929430868 /nfs/dbraw/zinc/43/08/68/929430868.db2.gz ZKSFAGIQALIQBA-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCNS(C)(=O)=O ZINC001448120097 929430996 /nfs/dbraw/zinc/43/09/96/929430996.db2.gz MFEXCGGCGFYYLU-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448120097 929431003 /nfs/dbraw/zinc/43/10/03/929431003.db2.gz MFEXCGGCGFYYLU-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001448131261 929432349 /nfs/dbraw/zinc/43/23/49/929432349.db2.gz GPERUHXPIRIGIU-RKDXNWHRSA-N 1 1 311.346 -1.702 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001448148038 929432367 /nfs/dbraw/zinc/43/23/67/929432367.db2.gz NIHPXVANCZJGAU-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001448148038 929432375 /nfs/dbraw/zinc/43/23/75/929432375.db2.gz NIHPXVANCZJGAU-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)c1ccccn1 ZINC001448149935 929432394 /nfs/dbraw/zinc/43/23/94/929432394.db2.gz YSZPDZZKUOCJHR-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)c1ccccn1 ZINC001448149935 929432399 /nfs/dbraw/zinc/43/23/99/929432399.db2.gz YSZPDZZKUOCJHR-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001448137982 929432535 /nfs/dbraw/zinc/43/25/35/929432535.db2.gz AMHBIHHIMPMHFQ-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001448137982 929432545 /nfs/dbraw/zinc/43/25/45/929432545.db2.gz AMHBIHHIMPMHFQ-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001448148037 929433229 /nfs/dbraw/zinc/43/32/29/929433229.db2.gz NIHPXVANCZJGAU-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001448148037 929433236 /nfs/dbraw/zinc/43/32/36/929433236.db2.gz NIHPXVANCZJGAU-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](CNC(=O)CCC(=O)N1CCOCC1)[N@H+](C)CC(N)=O ZINC001448128951 929433315 /nfs/dbraw/zinc/43/33/15/929433315.db2.gz XMKSZAWVRIDTOE-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](CNC(=O)CCC(=O)N1CCOCC1)[N@@H+](C)CC(N)=O ZINC001448128951 929433321 /nfs/dbraw/zinc/43/33/21/929433321.db2.gz XMKSZAWVRIDTOE-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC001448138732 929433616 /nfs/dbraw/zinc/43/36/16/929433616.db2.gz BZAKQEUOFTTXMC-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC001448138732 929433621 /nfs/dbraw/zinc/43/36/21/929433621.db2.gz BZAKQEUOFTTXMC-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001448171834 929436370 /nfs/dbraw/zinc/43/63/70/929436370.db2.gz QVWSCQLVXBIAHD-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001448171834 929436379 /nfs/dbraw/zinc/43/63/79/929436379.db2.gz QVWSCQLVXBIAHD-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001448171833 929436868 /nfs/dbraw/zinc/43/68/68/929436868.db2.gz QVWSCQLVXBIAHD-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001448171833 929436875 /nfs/dbraw/zinc/43/68/75/929436875.db2.gz QVWSCQLVXBIAHD-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN([C@H](C)C(N)=O)C1 ZINC001448177904 929439296 /nfs/dbraw/zinc/43/92/96/929439296.db2.gz IZBJDNSIMDZAMG-LLVKDONJSA-N 1 1 309.370 -1.382 20 0 DAADMO Cn1cnn(CCC(=O)NC2(CCO)C[NH+](CC3CC3)C2)c1=O ZINC001448178070 929439341 /nfs/dbraw/zinc/43/93/41/929439341.db2.gz KHPWIRBKFPZTIW-UHFFFAOYSA-N 1 1 323.397 -1.065 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1ncnn1 ZINC001448214962 929441182 /nfs/dbraw/zinc/44/11/82/929441182.db2.gz FATWPZRYYHPTTO-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)c1nnn(C)n1 ZINC001448217675 929443632 /nfs/dbraw/zinc/44/36/32/929443632.db2.gz LSRSKKDEEUYYOY-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001448295169 929445038 /nfs/dbraw/zinc/44/50/38/929445038.db2.gz MYWQVNCMVISCMP-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448306647 929445138 /nfs/dbraw/zinc/44/51/38/929445138.db2.gz PTDKMDYWTXXTQZ-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448306642 929445439 /nfs/dbraw/zinc/44/54/39/929445439.db2.gz PTDKMDYWTXXTQZ-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448299333 929445606 /nfs/dbraw/zinc/44/56/06/929445606.db2.gz RIYORPYHLSNWTB-YPMHNXCESA-N 1 1 310.398 -1.356 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448303361 929445817 /nfs/dbraw/zinc/44/58/17/929445817.db2.gz KORXGEDAAOSFHE-SFYZADRCSA-N 1 1 321.403 -2.650 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448326437 929447369 /nfs/dbraw/zinc/44/73/69/929447369.db2.gz CVJNCDYMAOIQBU-NXEZZACHSA-N 1 1 311.386 -2.272 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001448381556 929449075 /nfs/dbraw/zinc/44/90/75/929449075.db2.gz BTWOCUSZWDHJPB-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001448381556 929449084 /nfs/dbraw/zinc/44/90/84/929449084.db2.gz BTWOCUSZWDHJPB-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001448428293 929450923 /nfs/dbraw/zinc/45/09/23/929450923.db2.gz ZSIQMUCISUIGOA-XWLWVQCSSA-N 1 1 311.386 -1.527 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001448397607 929451065 /nfs/dbraw/zinc/45/10/65/929451065.db2.gz DZHNVANSSRVTLH-XYYAHUGASA-N 1 1 310.398 -1.059 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001448402878 929451139 /nfs/dbraw/zinc/45/11/39/929451139.db2.gz GFGVUVWXGBJRGP-RTCCRHLQSA-N 1 1 320.353 -1.477 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001448408869 929451705 /nfs/dbraw/zinc/45/17/05/929451705.db2.gz GQZNKFJLNSUFFS-YFKTTZPYSA-N 1 1 324.381 -1.133 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]2C1 ZINC001448447010 929452570 /nfs/dbraw/zinc/45/25/70/929452570.db2.gz PJMMTWIWEPFAKR-FIQHERPVSA-N 1 1 319.427 -1.136 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001448433674 929452656 /nfs/dbraw/zinc/45/26/56/929452656.db2.gz WUUXBRXMQTUGCU-MMWGEVLESA-N 1 1 309.370 -1.902 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H]2C1 ZINC001448447040 929453227 /nfs/dbraw/zinc/45/32/27/929453227.db2.gz PJMMTWIWEPFAKR-KKOKHZNYSA-N 1 1 319.427 -1.136 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001448456329 929454429 /nfs/dbraw/zinc/45/44/29/929454429.db2.gz TZLAPJBOQLLQRR-XYYAHUGASA-N 1 1 310.398 -1.512 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001448449640 929454698 /nfs/dbraw/zinc/45/46/98/929454698.db2.gz PGIXNPAULZIBBC-FVCCEPFGSA-N 1 1 318.381 -1.149 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001448514238 929456706 /nfs/dbraw/zinc/45/67/06/929456706.db2.gz KVHYAKVGFFCPLS-KYZUINATSA-N 1 1 310.362 -1.747 20 0 DAADMO C[C@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001448523755 929457949 /nfs/dbraw/zinc/45/79/49/929457949.db2.gz RNELPOGDCGHJRE-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001448550431 929458665 /nfs/dbraw/zinc/45/86/65/929458665.db2.gz ZXRQRQAATQIMRT-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CN(C)C(=O)Cc1ccn[nH]1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001448635627 929461376 /nfs/dbraw/zinc/46/13/76/929461376.db2.gz HTPYWAWGBIYPFX-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CS(C)(=O)=O)c1nnnn1C ZINC001448639949 929461493 /nfs/dbraw/zinc/46/14/93/929461493.db2.gz BEDVCLYIAUXONH-DTWKUNHWSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001448695854 929464183 /nfs/dbraw/zinc/46/41/83/929464183.db2.gz KMPPNXZMQKGUTL-VIFPVBQESA-N 1 1 309.330 -1.399 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001448698207 929464989 /nfs/dbraw/zinc/46/49/89/929464989.db2.gz MOJHLNCSVRQIFA-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001448698200 929466034 /nfs/dbraw/zinc/46/60/34/929466034.db2.gz MOJHLNCSVRQIFA-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001448740484 929468529 /nfs/dbraw/zinc/46/85/29/929468529.db2.gz UDAAUZCWPALQTN-UWVGGRQHSA-N 1 1 324.389 -1.299 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cncnc1 ZINC001448763010 929469666 /nfs/dbraw/zinc/46/96/66/929469666.db2.gz APWOEUFRSHAAJE-ZDUSSCGKSA-N 1 1 321.381 -1.076 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cncnc1 ZINC001448763010 929469675 /nfs/dbraw/zinc/46/96/75/929469675.db2.gz APWOEUFRSHAAJE-ZDUSSCGKSA-N 1 1 321.381 -1.076 20 0 DAADMO CN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448751331 929469730 /nfs/dbraw/zinc/46/97/30/929469730.db2.gz NPEBQLRELCGVJI-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448751331 929469734 /nfs/dbraw/zinc/46/97/34/929469734.db2.gz NPEBQLRELCGVJI-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CCCC(N)=O ZINC001448765967 929469831 /nfs/dbraw/zinc/46/98/31/929469831.db2.gz JURSNLQDGLRBNS-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CCCC(N)=O ZINC001448765967 929469837 /nfs/dbraw/zinc/46/98/37/929469837.db2.gz JURSNLQDGLRBNS-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001448761167 929469881 /nfs/dbraw/zinc/46/98/81/929469881.db2.gz MFCOYYTZQPHJGR-SECBINFHSA-N 1 1 324.341 -1.052 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001448784734 929471809 /nfs/dbraw/zinc/47/18/09/929471809.db2.gz UCNCWFDGOHKZBM-QMMMGPOBSA-N 1 1 317.371 -1.502 20 0 DAADMO Cc1c(C(=O)NCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001448780175 929472210 /nfs/dbraw/zinc/47/22/10/929472210.db2.gz GPGMYYKJJGZXOG-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO Cc1c(C(=O)NCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001448780175 929472217 /nfs/dbraw/zinc/47/22/17/929472217.db2.gz GPGMYYKJJGZXOG-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO COCCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001448775479 929472384 /nfs/dbraw/zinc/47/23/84/929472384.db2.gz BCBUWQLUHABZDA-JTQLQIEISA-N 1 1 316.358 -2.952 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC001448782037 929472577 /nfs/dbraw/zinc/47/25/77/929472577.db2.gz GCOWXVNVYWNXOK-LLVKDONJSA-N 1 1 307.358 -1.444 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001448813538 929477523 /nfs/dbraw/zinc/47/75/23/929477523.db2.gz IAEJNUCSZYZSPT-CYBMUJFWSA-N 1 1 323.397 -1.126 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001448813542 929478257 /nfs/dbraw/zinc/47/82/57/929478257.db2.gz IAEJNUCSZYZSPT-ZDUSSCGKSA-N 1 1 323.397 -1.126 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001448813845 929478291 /nfs/dbraw/zinc/47/82/91/929478291.db2.gz IAUJQVLAVWWUGC-ZETCQYMHSA-N 1 1 303.344 -1.539 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001448813842 929478783 /nfs/dbraw/zinc/47/87/83/929478783.db2.gz IAUJQVLAVWWUGC-SSDOTTSWSA-N 1 1 303.344 -1.539 20 0 DAADMO CCn1ncc(CN[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001448830092 929486775 /nfs/dbraw/zinc/48/67/75/929486775.db2.gz RCRJMXTUGHHROF-OLZOCXBDSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1ncc(CN[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001448830101 929486885 /nfs/dbraw/zinc/48/68/85/929486885.db2.gz RCRJMXTUGHHROF-STQMWFEESA-N 1 1 310.402 -1.041 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)CC1=O ZINC001448833677 929488957 /nfs/dbraw/zinc/48/89/57/929488957.db2.gz BKRUKYZMVQTQKT-RKDXNWHRSA-N 1 1 313.383 -1.417 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001448833582 929489015 /nfs/dbraw/zinc/48/90/15/929489015.db2.gz CJYXKNHHMBIHAC-STQMWFEESA-N 1 1 312.414 -1.469 20 0 DAADMO CNC(=O)NCCC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448836656 929489196 /nfs/dbraw/zinc/48/91/96/929489196.db2.gz OMAUAVYHDPOOJY-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)s1 ZINC001448840302 929490536 /nfs/dbraw/zinc/49/05/36/929490536.db2.gz KIUOVXOCVWJGLV-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001448846975 929492342 /nfs/dbraw/zinc/49/23/42/929492342.db2.gz UNPKTJRQKZDQFQ-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1CN[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448847032 929493006 /nfs/dbraw/zinc/49/30/06/929493006.db2.gz UUAURJAAXQDHOS-NSHDSACASA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448847169 929493255 /nfs/dbraw/zinc/49/32/55/929493255.db2.gz WEDKHNRMLHWCHZ-LBPRGKRZSA-N 1 1 321.385 -1.334 20 0 DAADMO CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001448844155 929493546 /nfs/dbraw/zinc/49/35/46/929493546.db2.gz PEUOPAHRTASAHB-JTQLQIEISA-N 1 1 323.397 -1.356 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001448850229 929494824 /nfs/dbraw/zinc/49/48/24/929494824.db2.gz SKVYKPRVFYHPER-NXEZZACHSA-N 1 1 310.358 -1.467 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001448850232 929494860 /nfs/dbraw/zinc/49/48/60/929494860.db2.gz SKVYKPRVFYHPER-VHSXEESVSA-N 1 1 310.358 -1.467 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001448858977 929497591 /nfs/dbraw/zinc/49/75/91/929497591.db2.gz BNSWCTFPTFIAPE-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001448867625 929499176 /nfs/dbraw/zinc/49/91/76/929499176.db2.gz UMJKQJACFWXJFR-LBPRGKRZSA-N 1 1 323.397 -1.001 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001448868164 929499332 /nfs/dbraw/zinc/49/93/32/929499332.db2.gz KECFOSTWVOKDSU-ICSBAORBSA-N 1 1 321.381 -1.195 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001448873612 929501188 /nfs/dbraw/zinc/50/11/88/929501188.db2.gz HRXBDQIGFCFGSR-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)CCNC(N)=O ZINC001448872923 929502002 /nfs/dbraw/zinc/50/20/02/929502002.db2.gz HRMLNCBKUGOXOJ-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001448892663 929508645 /nfs/dbraw/zinc/50/86/45/929508645.db2.gz RUDJVQIWWCDZFC-RYUDHWBXSA-N 1 1 324.385 -1.507 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448892057 929509015 /nfs/dbraw/zinc/50/90/15/929509015.db2.gz QOXNHNQWYROVBS-YUMQZZPRSA-N 1 1 314.371 -1.905 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001448892660 929509465 /nfs/dbraw/zinc/50/94/65/929509465.db2.gz RUDJVQIWWCDZFC-NWDGAFQWSA-N 1 1 324.385 -1.507 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448892054 929509974 /nfs/dbraw/zinc/50/99/74/929509974.db2.gz QOXNHNQWYROVBS-SFYZADRCSA-N 1 1 314.371 -1.905 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cnn(C)n2)C1 ZINC001448896263 929510950 /nfs/dbraw/zinc/51/09/50/929510950.db2.gz KJDQNQVZVLMNCL-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2cnn(C)n2)C1 ZINC001448896263 929510964 /nfs/dbraw/zinc/51/09/64/929510964.db2.gz KJDQNQVZVLMNCL-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001448896782 929511200 /nfs/dbraw/zinc/51/12/00/929511200.db2.gz ZJMIMYLCINQWBE-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cnn(C)n2)C1 ZINC001448896242 929511924 /nfs/dbraw/zinc/51/19/24/929511924.db2.gz KJDQNQVZVLMNCL-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2cnn(C)n2)C1 ZINC001448896242 929511931 /nfs/dbraw/zinc/51/19/31/929511931.db2.gz KJDQNQVZVLMNCL-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448901415 929512154 /nfs/dbraw/zinc/51/21/54/929512154.db2.gz ZTXPFAARIZNJOM-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CCn2cnnn2)ncn1 ZINC001448914286 929513933 /nfs/dbraw/zinc/51/39/33/929513933.db2.gz CQCIMPMCQLVPAY-LBPRGKRZSA-N 1 1 320.357 -1.571 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CCn2cnnn2)ncn1 ZINC001448914283 929514038 /nfs/dbraw/zinc/51/40/38/929514038.db2.gz CQCIMPMCQLVPAY-GFCCVEGCSA-N 1 1 320.357 -1.571 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001448914116 929514387 /nfs/dbraw/zinc/51/43/87/929514387.db2.gz WPXJANYXOYKDQN-UTUOFQBUSA-N 1 1 309.370 -1.409 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ncccn1 ZINC001448915435 929514442 /nfs/dbraw/zinc/51/44/42/929514442.db2.gz AXAQJGMFILEKMI-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1ncccn1 ZINC001448923417 929516262 /nfs/dbraw/zinc/51/62/62/929516262.db2.gz OMQZPFJBYPSULY-LLVKDONJSA-N 1 1 319.369 -1.195 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001448937435 929520745 /nfs/dbraw/zinc/52/07/45/929520745.db2.gz GDOZMDJOBBNXGS-QMMMGPOBSA-N 1 1 301.372 -1.232 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001448937430 929521497 /nfs/dbraw/zinc/52/14/97/929521497.db2.gz GDOZMDJOBBNXGS-MRVPVSSYSA-N 1 1 301.372 -1.232 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1cncn1C ZINC001448945884 929522026 /nfs/dbraw/zinc/52/20/26/929522026.db2.gz LGBKCFKJYVAJQW-NSHDSACASA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001448947911 929522795 /nfs/dbraw/zinc/52/27/95/929522795.db2.gz ORXNHTZMFCULJH-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO CCN1CC[C@@H](N[C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001448956179 929525394 /nfs/dbraw/zinc/52/53/94/929525394.db2.gz QEZDJBBZEFTXRV-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001448954922 929525515 /nfs/dbraw/zinc/52/55/15/929525515.db2.gz OQLNJMDOUNFECH-ZETCQYMHSA-N 1 1 323.400 -2.346 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2nnnn2C2CC2)C1 ZINC001448950563 929525525 /nfs/dbraw/zinc/52/55/25/929525525.db2.gz IAFKEVBIYVFSQT-GHMZBOCLSA-N 1 1 323.401 -1.474 20 0 DAADMO CCN1CC[C@@H](N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001448956174 929526428 /nfs/dbraw/zinc/52/64/28/929526428.db2.gz QEZDJBBZEFTXRV-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001448976539 929527279 /nfs/dbraw/zinc/52/72/79/929527279.db2.gz DXPRPDIORGLXGD-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001448960790 929528148 /nfs/dbraw/zinc/52/81/48/929528148.db2.gz XONOVXPIQUFYSI-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001448960783 929528969 /nfs/dbraw/zinc/52/89/69/929528969.db2.gz XONOVXPIQUFYSI-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C[C@H]1C ZINC001448992750 929530828 /nfs/dbraw/zinc/53/08/28/929530828.db2.gz FCXAIQWTJHWPCH-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCNC(N)=O ZINC001449024097 929533883 /nfs/dbraw/zinc/53/38/83/929533883.db2.gz WZNNIBACYMRWDW-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001449058768 929535650 /nfs/dbraw/zinc/53/56/50/929535650.db2.gz GTBRBVFOFOPTSU-SECBINFHSA-N 1 1 324.389 -1.534 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CNC(=O)C1CC1 ZINC001449091583 929537045 /nfs/dbraw/zinc/53/70/45/929537045.db2.gz HGEITABUUYICRA-GFCCVEGCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449095047 929537107 /nfs/dbraw/zinc/53/71/07/929537107.db2.gz GBZYFSXUEKUADE-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CNC(=O)C1CC1 ZINC001449091585 929537771 /nfs/dbraw/zinc/53/77/71/929537771.db2.gz HGEITABUUYICRA-LBPRGKRZSA-N 1 1 324.385 -1.750 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001449092916 929538407 /nfs/dbraw/zinc/53/84/07/929538407.db2.gz KRVFZTQREXLFAS-QWRGUYRKSA-N 1 1 300.359 -1.252 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001449096509 929538515 /nfs/dbraw/zinc/53/85/15/929538515.db2.gz QYIMEHTZYORDOZ-QMMMGPOBSA-N 1 1 315.334 -2.525 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@H]1CCCO1 ZINC001449096536 929539035 /nfs/dbraw/zinc/53/90/35/929539035.db2.gz RAJQEACPHTWNQZ-WDEREUQCSA-N 1 1 312.374 -1.312 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001449102915 929539066 /nfs/dbraw/zinc/53/90/66/929539066.db2.gz AAEMFUIBPHIQTR-NSHDSACASA-N 1 1 312.374 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1CCOC1 ZINC001449104936 929540712 /nfs/dbraw/zinc/54/07/12/929540712.db2.gz CVSADIGHGYJGEM-JQWIXIFHSA-N 1 1 324.385 -1.047 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001449112211 929541164 /nfs/dbraw/zinc/54/11/64/929541164.db2.gz LLCBKBFCVZEMDH-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)[nH]1 ZINC001449114824 929541744 /nfs/dbraw/zinc/54/17/44/929541744.db2.gz AOOOTHWLFGMRLK-JTQLQIEISA-N 1 1 309.330 -1.352 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)c1ccn[nH]1 ZINC001449112891 929542079 /nfs/dbraw/zinc/54/20/79/929542079.db2.gz HSEMRGNKURKAJI-LLVKDONJSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1 ZINC001449112516 929542575 /nfs/dbraw/zinc/54/25/75/929542575.db2.gz NKMJFIBYBOZGCG-NSHDSACASA-N 1 1 320.357 -1.469 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1COC(=O)N1 ZINC001449119193 929543496 /nfs/dbraw/zinc/54/34/96/929543496.db2.gz KSFKELCBEZGSQI-ZJUUUORDSA-N 1 1 312.330 -2.168 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001449117663 929543737 /nfs/dbraw/zinc/54/37/37/929543737.db2.gz SGKPMSUPGBOFJD-SNVBAGLBSA-N 1 1 313.358 -1.187 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1COC(=O)N1 ZINC001449119187 929543825 /nfs/dbraw/zinc/54/38/25/929543825.db2.gz KSFKELCBEZGSQI-NXEZZACHSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1cnn(C)c1 ZINC001449121853 929544004 /nfs/dbraw/zinc/54/40/04/929544004.db2.gz WUMDPTYXWBFCAY-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ncn(C)n1 ZINC001449119348 929544347 /nfs/dbraw/zinc/54/43/47/929544347.db2.gz LVQGCQAECRUFRQ-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CCC(=O)N1 ZINC001449119895 929544776 /nfs/dbraw/zinc/54/47/76/929544776.db2.gz VGKYOVQPVNQCGH-DTWKUNHWSA-N 1 1 313.383 -1.274 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1cccn1 ZINC001449124091 929545655 /nfs/dbraw/zinc/54/56/55/929545655.db2.gz RUCGJSADMTUJDF-NSHDSACASA-N 1 1 307.358 -1.379 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC(C)(C)O)c1nnnn1C ZINC001449128170 929546342 /nfs/dbraw/zinc/54/63/42/929546342.db2.gz UYKCSGOXCZZIQS-NXEZZACHSA-N 1 1 314.390 -1.159 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001449131260 929547783 /nfs/dbraw/zinc/54/77/83/929547783.db2.gz HNMCYCPKUVFJDP-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1csnn1 ZINC001449134748 929549236 /nfs/dbraw/zinc/54/92/36/929549236.db2.gz NGGFXJLEEYFONR-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449130059 929549563 /nfs/dbraw/zinc/54/95/63/929549563.db2.gz BSYWBARJZGOEPS-JTQLQIEISA-N 1 1 313.362 -2.347 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001449141499 929551880 /nfs/dbraw/zinc/55/18/80/929551880.db2.gz WBHBNZMSZYXWMS-RKDXNWHRSA-N 1 1 311.346 -2.297 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2n[nH]nc2C)n1 ZINC001449139024 929552074 /nfs/dbraw/zinc/55/20/74/929552074.db2.gz XVAFKLAZIJJDLX-NSHDSACASA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cncn1C ZINC001449146753 929554111 /nfs/dbraw/zinc/55/41/11/929554111.db2.gz RLDOVMAFSCRAGC-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001449147174 929554298 /nfs/dbraw/zinc/55/42/98/929554298.db2.gz FLKMIGNSOMEYLG-FRRDWIJNSA-N 1 1 303.403 -1.503 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001449154389 929555695 /nfs/dbraw/zinc/55/56/95/929555695.db2.gz BMGCJEPPQHASGW-NXEZZACHSA-N 1 1 311.386 -1.030 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1nnc[n-]1 ZINC001449161027 929557794 /nfs/dbraw/zinc/55/77/94/929557794.db2.gz JBTCVZYSGDCCOF-JTQLQIEISA-N 1 1 308.346 -1.915 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001449165387 929557958 /nfs/dbraw/zinc/55/79/58/929557958.db2.gz VJDRNPTWCHRKPC-RYUDHWBXSA-N 1 1 324.385 -1.515 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)Cc1nnc[n-]1 ZINC001449161033 929559132 /nfs/dbraw/zinc/55/91/32/929559132.db2.gz JBTCVZYSGDCCOF-SNVBAGLBSA-N 1 1 308.346 -1.915 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001449170365 929560945 /nfs/dbraw/zinc/56/09/45/929560945.db2.gz JIDCXUKYQVKIJV-NSHDSACASA-N 1 1 321.385 -1.002 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)o1 ZINC001449185798 929562640 /nfs/dbraw/zinc/56/26/40/929562640.db2.gz ILOICCGRADIOCG-PSASIEDQSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)o1 ZINC001449185798 929562642 /nfs/dbraw/zinc/56/26/42/929562642.db2.gz ILOICCGRADIOCG-PSASIEDQSA-N 1 1 313.358 -1.455 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449190881 929562973 /nfs/dbraw/zinc/56/29/73/929562973.db2.gz MYIGDKIKTXWBSR-QWRGUYRKSA-N 1 1 300.363 -1.541 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001449191811 929563325 /nfs/dbraw/zinc/56/33/25/929563325.db2.gz QREIWQNNNRFXMR-GXSJLCMTSA-N 1 1 312.374 -1.556 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186074 929564498 /nfs/dbraw/zinc/56/44/98/929564498.db2.gz HMMSHQWBRMJRQI-UWVGGRQHSA-N 1 1 301.343 -1.501 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186074 929564506 /nfs/dbraw/zinc/56/45/06/929564506.db2.gz HMMSHQWBRMJRQI-UWVGGRQHSA-N 1 1 301.343 -1.501 20 0 DAADMO Cc1nocc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449187223 929564546 /nfs/dbraw/zinc/56/45/46/929564546.db2.gz KMCOMSWXFRIBBB-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1nocc1C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449187223 929564560 /nfs/dbraw/zinc/56/45/60/929564560.db2.gz KMCOMSWXFRIBBB-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)CN1CCOCC1=O ZINC001449197263 929565140 /nfs/dbraw/zinc/56/51/40/929565140.db2.gz IKBIKGHHSWQTTH-GFCCVEGCSA-N 1 1 319.377 -1.044 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001449198488 929565769 /nfs/dbraw/zinc/56/57/69/929565769.db2.gz VDENNYUDABQVRB-LBPRGKRZSA-N 1 1 311.386 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001449198488 929565780 /nfs/dbraw/zinc/56/57/80/929565780.db2.gz VDENNYUDABQVRB-LBPRGKRZSA-N 1 1 311.386 -1.540 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC1=O ZINC001449197390 929566093 /nfs/dbraw/zinc/56/60/93/929566093.db2.gz JEHHCZFNMOFMMW-RYUDHWBXSA-N 1 1 301.387 -1.402 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001449193747 929566513 /nfs/dbraw/zinc/56/65/13/929566513.db2.gz VYYCXISULWJYQR-SNVBAGLBSA-N 1 1 324.385 -1.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001449193747 929566523 /nfs/dbraw/zinc/56/65/23/929566523.db2.gz VYYCXISULWJYQR-SNVBAGLBSA-N 1 1 324.385 -1.440 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001449198196 929567279 /nfs/dbraw/zinc/56/72/79/929567279.db2.gz KLDJBQKVVFRVAY-UWVGGRQHSA-N 1 1 315.374 -2.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001449201569 929568003 /nfs/dbraw/zinc/56/80/03/929568003.db2.gz PQAGYFPKROLSSM-WPRPVWTQSA-N 1 1 313.383 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001449201565 929568407 /nfs/dbraw/zinc/56/84/07/929568407.db2.gz PQAGYFPKROLSSM-WCBMZHEXSA-N 1 1 313.383 -1.209 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200916 929568526 /nfs/dbraw/zinc/56/85/26/929568526.db2.gz ZTNDOCQVCWTCFZ-ZJUUUORDSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200916 929568533 /nfs/dbraw/zinc/56/85/33/929568533.db2.gz ZTNDOCQVCWTCFZ-ZJUUUORDSA-N 1 1 313.362 -2.441 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001449204591 929568695 /nfs/dbraw/zinc/56/86/95/929568695.db2.gz WSGRRHAZTJWKFE-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001449204591 929568700 /nfs/dbraw/zinc/56/87/00/929568700.db2.gz WSGRRHAZTJWKFE-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnc[nH]c1=O ZINC001449211309 929568750 /nfs/dbraw/zinc/56/87/50/929568750.db2.gz GSRJGEDYKQCJSV-KOLCDFICSA-N 1 1 323.353 -1.565 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200914 929568859 /nfs/dbraw/zinc/56/88/59/929568859.db2.gz ZTNDOCQVCWTCFZ-VHSXEESVSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449200914 929568874 /nfs/dbraw/zinc/56/88/74/929568874.db2.gz ZTNDOCQVCWTCFZ-VHSXEESVSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449203236 929569675 /nfs/dbraw/zinc/56/96/75/929569675.db2.gz YISPNVHHAFKPQN-NXEZZACHSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449203236 929569685 /nfs/dbraw/zinc/56/96/85/929569685.db2.gz YISPNVHHAFKPQN-NXEZZACHSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001449210498 929569785 /nfs/dbraw/zinc/56/97/85/929569785.db2.gz GJMSECKUWFMMGC-SSLNLQFTSA-N 1 1 311.382 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001449210498 929569796 /nfs/dbraw/zinc/56/97/96/929569796.db2.gz GJMSECKUWFMMGC-SSLNLQFTSA-N 1 1 311.382 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ccnc1 ZINC001449214491 929570179 /nfs/dbraw/zinc/57/01/79/929570179.db2.gz NSSYNNHKAYHRIT-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnc[nH]c1=O ZINC001449211306 929570324 /nfs/dbraw/zinc/57/03/24/929570324.db2.gz GSRJGEDYKQCJSV-GXSJLCMTSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1nccc(CCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001449212723 929570560 /nfs/dbraw/zinc/57/05/60/929570560.db2.gz LOQJIAIEJOZAQM-CYBMUJFWSA-N 1 1 323.397 -1.046 20 0 DAADMO Cc1nccc(CCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001449212723 929570571 /nfs/dbraw/zinc/57/05/71/929570571.db2.gz LOQJIAIEJOZAQM-CYBMUJFWSA-N 1 1 323.397 -1.046 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2n1CCOC2 ZINC001449205557 929570660 /nfs/dbraw/zinc/57/06/60/929570660.db2.gz AAVYGJCXOYUXNG-LLVKDONJSA-N 1 1 312.370 -1.230 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001449208973 929570795 /nfs/dbraw/zinc/57/07/95/929570795.db2.gz GPOIRAGVSPOVBD-GHMZBOCLSA-N 1 1 324.385 -1.291 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001449236837 929571590 /nfs/dbraw/zinc/57/15/90/929571590.db2.gz UELWQWCZUJSIQA-ZJUUUORDSA-N 1 1 313.358 -1.123 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001449236837 929571583 /nfs/dbraw/zinc/57/15/83/929571583.db2.gz UELWQWCZUJSIQA-ZJUUUORDSA-N 1 1 313.358 -1.123 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001449234247 929571838 /nfs/dbraw/zinc/57/18/38/929571838.db2.gz XGXGXCWAGGZUMI-CHWSQXEVSA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001449237348 929572379 /nfs/dbraw/zinc/57/23/79/929572379.db2.gz JLSKTXSKRLLPLZ-GHMZBOCLSA-N 1 1 309.370 -1.408 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221605 929573811 /nfs/dbraw/zinc/57/38/11/929573811.db2.gz BOGSWZTYTXCLMW-ZYHUDNBSSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221605 929573821 /nfs/dbraw/zinc/57/38/21/929573821.db2.gz BOGSWZTYTXCLMW-ZYHUDNBSSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449250411 929574922 /nfs/dbraw/zinc/57/49/22/929574922.db2.gz WSGMBYWLVPVVCH-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449250411 929574930 /nfs/dbraw/zinc/57/49/30/929574930.db2.gz WSGMBYWLVPVVCH-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449250433 929574945 /nfs/dbraw/zinc/57/49/45/929574945.db2.gz WSGMBYWLVPVVCH-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449250433 929574952 /nfs/dbraw/zinc/57/49/52/929574952.db2.gz WSGMBYWLVPVVCH-UWVGGRQHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)c1nc[nH]n1 ZINC001449245149 929575986 /nfs/dbraw/zinc/57/59/86/929575986.db2.gz DGYCXVDOTAONTA-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)c1nc[nH]n1 ZINC001449245149 929575997 /nfs/dbraw/zinc/57/59/97/929575997.db2.gz DGYCXVDOTAONTA-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001449243539 929576294 /nfs/dbraw/zinc/57/62/94/929576294.db2.gz BGRNUWPICXOVAP-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001449243539 929576306 /nfs/dbraw/zinc/57/63/06/929576306.db2.gz BGRNUWPICXOVAP-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449250441 929576339 /nfs/dbraw/zinc/57/63/39/929576339.db2.gz WSGMBYWLVPVVCH-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449250441 929576351 /nfs/dbraw/zinc/57/63/51/929576351.db2.gz WSGMBYWLVPVVCH-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449251618 929576968 /nfs/dbraw/zinc/57/69/68/929576968.db2.gz YHSMGMHPOKHUBT-MNOVXSKESA-N 1 1 310.358 -2.082 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](CO)C(N)=O)cn1 ZINC001449340004 929580478 /nfs/dbraw/zinc/58/04/78/929580478.db2.gz GWFCRPYIWSKBIB-SRVKXCTJSA-N 1 1 309.370 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cn1cncn1 ZINC001449338570 929580744 /nfs/dbraw/zinc/58/07/44/929580744.db2.gz HNHPMDTYKIKWDV-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cn1cncn1 ZINC001449338570 929580751 /nfs/dbraw/zinc/58/07/51/929580751.db2.gz HNHPMDTYKIKWDV-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001449344981 929581062 /nfs/dbraw/zinc/58/10/62/929581062.db2.gz RWARGXJJJQXTSY-NSHDSACASA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001449344981 929581072 /nfs/dbraw/zinc/58/10/72/929581072.db2.gz RWARGXJJJQXTSY-NSHDSACASA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449337990 929581450 /nfs/dbraw/zinc/58/14/50/929581450.db2.gz DIUWDAMQHTXDIQ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001449352430 929582380 /nfs/dbraw/zinc/58/23/80/929582380.db2.gz VSIBOQZBLCNXQF-BBRMVZONSA-N 1 1 321.377 -1.024 20 0 DAADMO CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)[C@H]1CNC(=O)N1 ZINC001449529541 929589133 /nfs/dbraw/zinc/58/91/33/929589133.db2.gz UENJMLXWVFWFQH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001449600558 929592101 /nfs/dbraw/zinc/59/21/01/929592101.db2.gz VIKGYCKXDAPWJG-VHSXEESVSA-N 1 1 320.357 -1.112 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(C(=O)c2cn[nH]n2)C2CC2)C1 ZINC001449833376 929597210 /nfs/dbraw/zinc/59/72/10/929597210.db2.gz QMFBTZQRXOZETI-GFCCVEGCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(C(=O)c2cn[nH]n2)C2CC2)C1 ZINC001449833376 929597225 /nfs/dbraw/zinc/59/72/25/929597225.db2.gz QMFBTZQRXOZETI-GFCCVEGCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865171 929599758 /nfs/dbraw/zinc/59/97/58/929599758.db2.gz XTVBTCHCYFPVQD-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865171 929599766 /nfs/dbraw/zinc/59/97/66/929599766.db2.gz XTVBTCHCYFPVQD-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(C(=O)Cn2cnnn2)C2CC2)C1 ZINC001449867670 929600132 /nfs/dbraw/zinc/60/01/32/929600132.db2.gz XQVRLWLYCHBKFU-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001450035142 929602201 /nfs/dbraw/zinc/60/22/01/929602201.db2.gz RLPSBIIHCNVWDT-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN1CCN(CC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C(=O)C1=O ZINC001449952856 929602326 /nfs/dbraw/zinc/60/23/26/929602326.db2.gz OOXAEMZLRVHHGR-NEPJUHHUSA-N 1 1 308.382 -1.160 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3cn[nH]n3)C2)C1 ZINC001450174470 929610210 /nfs/dbraw/zinc/61/02/10/929610210.db2.gz WPELRTDOTCEWOO-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3cnn[nH]3)C2)C1 ZINC001450174470 929610221 /nfs/dbraw/zinc/61/02/21/929610221.db2.gz WPELRTDOTCEWOO-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)c3cnn[nH]3)C2)C1 ZINC001450174470 929610228 /nfs/dbraw/zinc/61/02/28/929610228.db2.gz WPELRTDOTCEWOO-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001450308144 929619074 /nfs/dbraw/zinc/61/90/74/929619074.db2.gz IZBRAJHJWOBXLJ-NEPJUHHUSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001450308144 929619081 /nfs/dbraw/zinc/61/90/81/929619081.db2.gz IZBRAJHJWOBXLJ-NEPJUHHUSA-N 1 1 315.370 -1.695 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001450345739 929623773 /nfs/dbraw/zinc/62/37/73/929623773.db2.gz GMSWVWJAIWWDLJ-VIFPVBQESA-N 1 1 322.369 -1.035 20 0 DAADMO NC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001450351773 929623956 /nfs/dbraw/zinc/62/39/56/929623956.db2.gz QXTKFYGUUUMAQZ-RYUDHWBXSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001450340787 929624518 /nfs/dbraw/zinc/62/45/18/929624518.db2.gz WSVQZIDUKICWJY-JTQLQIEISA-N 1 1 313.402 -1.042 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001450346866 929624572 /nfs/dbraw/zinc/62/45/72/929624572.db2.gz MKPGXIWDSSFVMS-LLVKDONJSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)NCC(=O)N1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001450351787 929624608 /nfs/dbraw/zinc/62/46/08/929624608.db2.gz QXTKFYGUUUMAQZ-VXGBXAGGSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001450351734 929624883 /nfs/dbraw/zinc/62/48/83/929624883.db2.gz QXTKFYGUUUMAQZ-NEPJUHHUSA-N 1 1 323.397 -1.001 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001450864832 929629832 /nfs/dbraw/zinc/62/98/32/929629832.db2.gz PBFQEBKINNALER-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001513482405 929635009 /nfs/dbraw/zinc/63/50/09/929635009.db2.gz PPSQREIGTMYJAQ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1O ZINC001513581994 929640968 /nfs/dbraw/zinc/64/09/68/929640968.db2.gz DYBWQTWMVPXCLD-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001513638730 929642816 /nfs/dbraw/zinc/64/28/16/929642816.db2.gz KPXDXZBOLJIXPP-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1=O ZINC001518896417 929652589 /nfs/dbraw/zinc/65/25/89/929652589.db2.gz CZSJZTGZZYVDOE-LPEHRKFASA-N 1 1 308.338 -1.137 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001521464247 929661421 /nfs/dbraw/zinc/66/14/21/929661421.db2.gz SZPCHOCOCOTKID-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001521464247 929661426 /nfs/dbraw/zinc/66/14/26/929661426.db2.gz SZPCHOCOCOTKID-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001521464247 929661432 /nfs/dbraw/zinc/66/14/32/929661432.db2.gz SZPCHOCOCOTKID-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001521480487 929661491 /nfs/dbraw/zinc/66/14/91/929661491.db2.gz VMAQDBAJNPWDOL-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001521480487 929661501 /nfs/dbraw/zinc/66/15/01/929661501.db2.gz VMAQDBAJNPWDOL-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001521464250 929662082 /nfs/dbraw/zinc/66/20/82/929662082.db2.gz SZPCHOCOCOTKID-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001521464250 929662088 /nfs/dbraw/zinc/66/20/88/929662088.db2.gz SZPCHOCOCOTKID-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001521464250 929662092 /nfs/dbraw/zinc/66/20/92/929662092.db2.gz SZPCHOCOCOTKID-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521504476 929663622 /nfs/dbraw/zinc/66/36/22/929663622.db2.gz VAMNSDODQCNPNO-OLZOCXBDSA-N 1 1 311.430 -1.454 20 0 DAADMO COCCOCC[N@H+](C)CCC(=O)N1CCNC[C@H]1CO ZINC001522419573 929668082 /nfs/dbraw/zinc/66/80/82/929668082.db2.gz YTQSADZXHRXYRO-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CCNC[C@H]1CO ZINC001522419573 929668088 /nfs/dbraw/zinc/66/80/88/929668088.db2.gz YTQSADZXHRXYRO-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522502528 929672285 /nfs/dbraw/zinc/67/22/85/929672285.db2.gz IXXHZVYWVHIQLD-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522502528 929672290 /nfs/dbraw/zinc/67/22/90/929672290.db2.gz IXXHZVYWVHIQLD-MWLCHTKSSA-N 1 1 300.359 -1.926 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001522528451 929675683 /nfs/dbraw/zinc/67/56/83/929675683.db2.gz XRAOREMMTGZCOV-MNOVXSKESA-N 1 1 301.343 -2.035 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001522528451 929675687 /nfs/dbraw/zinc/67/56/87/929675687.db2.gz XRAOREMMTGZCOV-MNOVXSKESA-N 1 1 301.343 -2.035 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)c(=O)[nH]c1=O ZINC001522556639 929680742 /nfs/dbraw/zinc/68/07/42/929680742.db2.gz JVRGSYLYPDWXPC-SNVBAGLBSA-N 1 1 323.353 -1.574 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001522568706 929681157 /nfs/dbraw/zinc/68/11/57/929681157.db2.gz IFKMMTBLHXSYLI-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001522567807 929681205 /nfs/dbraw/zinc/68/12/05/929681205.db2.gz CISKAARPUYFTLK-QMTHXVAHSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001522567807 929681209 /nfs/dbraw/zinc/68/12/09/929681209.db2.gz CISKAARPUYFTLK-QMTHXVAHSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001522567808 929681996 /nfs/dbraw/zinc/68/19/96/929681996.db2.gz CISKAARPUYFTLK-YGRLFVJLSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001522567808 929682001 /nfs/dbraw/zinc/68/20/01/929682001.db2.gz CISKAARPUYFTLK-YGRLFVJLSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001522567804 929682260 /nfs/dbraw/zinc/68/22/60/929682260.db2.gz CISKAARPUYFTLK-IINYFYTJSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001522567804 929682271 /nfs/dbraw/zinc/68/22/71/929682271.db2.gz CISKAARPUYFTLK-IINYFYTJSA-N 1 1 312.370 -1.924 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001522568717 929682407 /nfs/dbraw/zinc/68/24/07/929682407.db2.gz IFKMMTBLHXSYLI-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522652393 929689963 /nfs/dbraw/zinc/68/99/63/929689963.db2.gz GBSTWZFWRQQIAN-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522652392 929690381 /nfs/dbraw/zinc/69/03/81/929690381.db2.gz GBSTWZFWRQQIAN-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)C(=O)NCC(F)F ZINC001522652695 929690640 /nfs/dbraw/zinc/69/06/40/929690640.db2.gz CAUXLVCFGKJDNQ-UHFFFAOYSA-N 1 1 317.296 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001522676499 929691281 /nfs/dbraw/zinc/69/12/81/929691281.db2.gz XVKZZWNCKQEONA-LLVKDONJSA-N 1 1 323.353 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001522676499 929691292 /nfs/dbraw/zinc/69/12/92/929691292.db2.gz XVKZZWNCKQEONA-LLVKDONJSA-N 1 1 323.353 -1.663 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001522727133 929696296 /nfs/dbraw/zinc/69/62/96/929696296.db2.gz WUOVOBRGFKHCTG-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)C(=O)NCC(F)F)C1 ZINC001522740505 929698509 /nfs/dbraw/zinc/69/85/09/929698509.db2.gz SRNWJCLYNGUHDM-SECBINFHSA-N 1 1 320.340 -1.058 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)Cn1cncn1 ZINC001522760064 929699078 /nfs/dbraw/zinc/69/90/78/929699078.db2.gz BIGCJZXJYVUXFJ-UHFFFAOYSA-N 1 1 310.358 -1.767 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@@H]2CCCC[N@H+]2C)NC1=O ZINC001522785347 929703410 /nfs/dbraw/zinc/70/34/10/929703410.db2.gz UOHYMAFGAFPQHJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522869623 929708305 /nfs/dbraw/zinc/70/83/05/929708305.db2.gz JMLICIZIPWGMEK-QWRGUYRKSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522869623 929708315 /nfs/dbraw/zinc/70/83/15/929708315.db2.gz JMLICIZIPWGMEK-QWRGUYRKSA-N 1 1 312.370 -1.924 20 0 DAADMO NC(=O)C(=O)NCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001522988722 929715044 /nfs/dbraw/zinc/71/50/44/929715044.db2.gz HNPJNMMUBSKBBF-UHFFFAOYSA-N 1 1 316.321 -1.011 20 0 DAADMO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001523412263 929727223 /nfs/dbraw/zinc/72/72/23/929727223.db2.gz QRJKFXFHKOVNFR-NSHDSACASA-N 1 1 324.385 -1.100 20 0 DAADMO CN(CCCNC(=O)c1cnon1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001523725515 929729509 /nfs/dbraw/zinc/72/95/09/929729509.db2.gz MIWFQQWIPYYMFU-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CN(CCCNC(=O)c1cnon1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001523725515 929729514 /nfs/dbraw/zinc/72/95/14/929729514.db2.gz MIWFQQWIPYYMFU-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO COCCC(=O)N1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001524051997 929734119 /nfs/dbraw/zinc/73/41/19/929734119.db2.gz HOVMLPSXNZYLLU-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CC(C)C(=O)NCCC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001524042307 929734810 /nfs/dbraw/zinc/73/48/10/929734810.db2.gz DZEFHEHEXGTVBG-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001524676474 929747243 /nfs/dbraw/zinc/74/72/43/929747243.db2.gz JIZWUMLOKMHJSP-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001524676474 929747260 /nfs/dbraw/zinc/74/72/60/929747260.db2.gz JIZWUMLOKMHJSP-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001524676475 929747857 /nfs/dbraw/zinc/74/78/57/929747857.db2.gz JIZWUMLOKMHJSP-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001524676475 929747861 /nfs/dbraw/zinc/74/78/61/929747861.db2.gz JIZWUMLOKMHJSP-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001526098240 929756929 /nfs/dbraw/zinc/75/69/29/929756929.db2.gz LLOTVAJKFKNXGP-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001526597803 929765682 /nfs/dbraw/zinc/76/56/82/929765682.db2.gz ZQXKRMRJRIMHGK-WCBMZHEXSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C(=O)NCC(F)F ZINC001526596493 929765773 /nfs/dbraw/zinc/76/57/73/929765773.db2.gz UYHILBIFUVOPHE-RKDXNWHRSA-N 1 1 320.340 -1.060 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001526597804 929766106 /nfs/dbraw/zinc/76/61/06/929766106.db2.gz ZQXKRMRJRIMHGK-WPRPVWTQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001527502038 929780102 /nfs/dbraw/zinc/78/01/02/929780102.db2.gz PBOMIDJZMDNSSG-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001527502038 929780111 /nfs/dbraw/zinc/78/01/11/929780111.db2.gz PBOMIDJZMDNSSG-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1C(=O)CNC1=O ZINC001527679538 929782096 /nfs/dbraw/zinc/78/20/96/929782096.db2.gz JLVOPMGSQUHGPM-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CC(=O)N(C)CC(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001527936643 929787524 /nfs/dbraw/zinc/78/75/24/929787524.db2.gz AJRWRCHQZJTVPI-GFCCVEGCSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)N(C)CC(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001527936643 929787532 /nfs/dbraw/zinc/78/75/32/929787532.db2.gz AJRWRCHQZJTVPI-GFCCVEGCSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001527936644 929787653 /nfs/dbraw/zinc/78/76/53/929787653.db2.gz AJRWRCHQZJTVPI-LBPRGKRZSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001527936644 929787660 /nfs/dbraw/zinc/78/76/60/929787660.db2.gz AJRWRCHQZJTVPI-LBPRGKRZSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)CC(N)=O)C1 ZINC001528001589 929788762 /nfs/dbraw/zinc/78/87/62/929788762.db2.gz CIIACORPSWTUFK-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1CC(=O)NC(=O)C1 ZINC001527982561 929789815 /nfs/dbraw/zinc/78/98/15/929789815.db2.gz FIFKHVJFFHILPX-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528007702 929792181 /nfs/dbraw/zinc/79/21/81/929792181.db2.gz ULRRZCQTIRMJHW-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCNC1=O ZINC001528007506 929792399 /nfs/dbraw/zinc/79/23/99/929792399.db2.gz RLDSTVMYSBSOML-WDEREUQCSA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCNC1=O ZINC001528007506 929792405 /nfs/dbraw/zinc/79/24/05/929792405.db2.gz RLDSTVMYSBSOML-WDEREUQCSA-N 1 1 312.370 -1.972 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001528263122 929800574 /nfs/dbraw/zinc/80/05/74/929800574.db2.gz ZYYKOCKLLGSLKA-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1cnn(C)n1 ZINC001528408188 929804585 /nfs/dbraw/zinc/80/45/85/929804585.db2.gz WETAXTXQNMMDGW-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001528430878 929806534 /nfs/dbraw/zinc/80/65/34/929806534.db2.gz HYYHFQSAEVULOG-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001528867459 929819235 /nfs/dbraw/zinc/81/92/35/929819235.db2.gz CXBQKJHFBOXBBA-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528795147 929820546 /nfs/dbraw/zinc/82/05/46/929820546.db2.gz ZMEUZBCYAOICEL-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CNC(N)=O ZINC001528795147 929820559 /nfs/dbraw/zinc/82/05/59/929820559.db2.gz ZMEUZBCYAOICEL-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001528965797 929822198 /nfs/dbraw/zinc/82/21/98/929822198.db2.gz XSDWMDMZJFWUAS-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001530368820 929840643 /nfs/dbraw/zinc/84/06/43/929840643.db2.gz XAIOFJYXIRIWPT-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530388491 929842137 /nfs/dbraw/zinc/84/21/37/929842137.db2.gz AQDRGTKMHBTJLV-JOYOIKCWSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530388491 929842142 /nfs/dbraw/zinc/84/21/42/929842142.db2.gz AQDRGTKMHBTJLV-JOYOIKCWSA-N 1 1 312.370 -1.831 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001530449272 929848347 /nfs/dbraw/zinc/84/83/47/929848347.db2.gz WYCOGQPIAWWTFH-LLVKDONJSA-N 1 1 308.382 -1.209 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001530484429 929849483 /nfs/dbraw/zinc/84/94/83/929849483.db2.gz DWMWVNPYXLBPDS-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001530465691 929850265 /nfs/dbraw/zinc/85/02/65/929850265.db2.gz BHLULVZPIUZHOH-VIFPVBQESA-N 1 1 318.341 -1.398 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530486614 929851915 /nfs/dbraw/zinc/85/19/15/929851915.db2.gz VUAZIHFVERPTLU-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530486614 929851925 /nfs/dbraw/zinc/85/19/25/929851925.db2.gz VUAZIHFVERPTLU-JTQLQIEISA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)CC(=O)N1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001530523002 929853406 /nfs/dbraw/zinc/85/34/06/929853406.db2.gz RSEFIMOWFBRCJE-UHFFFAOYSA-N 1 1 323.353 -1.187 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530635399 929860021 /nfs/dbraw/zinc/86/00/21/929860021.db2.gz HWSSSWAAZQAWAD-NWDGAFQWSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530635399 929860029 /nfs/dbraw/zinc/86/00/29/929860029.db2.gz HWSSSWAAZQAWAD-NWDGAFQWSA-N 1 1 315.370 -1.695 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001530745752 929867185 /nfs/dbraw/zinc/86/71/85/929867185.db2.gz IBRMLBAVQMRGEZ-VIFPVBQESA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001530832025 929870101 /nfs/dbraw/zinc/87/01/01/929870101.db2.gz ZUBAYLMJVDKWNS-GFCCVEGCSA-N 1 1 319.365 -1.098 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CCn2cnnn2)C1 ZINC001530872248 929871827 /nfs/dbraw/zinc/87/18/27/929871827.db2.gz MCONKCXDOCJOIX-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531069856 929878475 /nfs/dbraw/zinc/87/84/75/929878475.db2.gz KXJSRRZBWSJGRH-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001532095192 929890603 /nfs/dbraw/zinc/89/06/03/929890603.db2.gz FLWIATACFHFVCR-SNVBAGLBSA-N 1 1 320.357 -1.253 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532095571 929890728 /nfs/dbraw/zinc/89/07/28/929890728.db2.gz IPQOKUSQTXXBED-IJLUTSLNSA-N 1 1 323.401 -1.118 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161098 929891826 /nfs/dbraw/zinc/89/18/26/929891826.db2.gz FHUVCNLNPLUPEP-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161098 929891834 /nfs/dbraw/zinc/89/18/34/929891834.db2.gz FHUVCNLNPLUPEP-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001532300252 929895834 /nfs/dbraw/zinc/89/58/34/929895834.db2.gz PNWKLZRDTIKONA-GXSJLCMTSA-N 1 1 322.369 -1.259 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001532741827 929899351 /nfs/dbraw/zinc/89/93/51/929899351.db2.gz NTIVOKIBABFWCL-NWDGAFQWSA-N 1 1 323.401 -1.118 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001532886305 929901619 /nfs/dbraw/zinc/90/16/19/929901619.db2.gz FGGFZWKQVSCIKC-NSHDSACASA-N 1 1 309.374 -1.458 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147759 929907624 /nfs/dbraw/zinc/90/76/24/929907624.db2.gz IEQLTHNLECKOPQ-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(C)(F)F)C1 ZINC001533147759 929907634 /nfs/dbraw/zinc/90/76/34/929907634.db2.gz IEQLTHNLECKOPQ-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC(=O)COC)CC[N@H+]1C ZINC001533150665 929908819 /nfs/dbraw/zinc/90/88/19/929908819.db2.gz CTUZDZJYHNNODT-SDDRHHMPSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001533168947 929912537 /nfs/dbraw/zinc/91/25/37/929912537.db2.gz FSFWHNDYKSPYGT-RAIGVLPGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001533174326 929914684 /nfs/dbraw/zinc/91/46/84/929914684.db2.gz FKKRWGQAMYVMGL-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO COCCCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533191281 929918118 /nfs/dbraw/zinc/91/81/18/929918118.db2.gz IHVZXHSXBCDIOC-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001533207325 929924938 /nfs/dbraw/zinc/92/49/38/929924938.db2.gz IMBQGNXASCYBEC-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220279 929927636 /nfs/dbraw/zinc/92/76/36/929927636.db2.gz QYYBQBIYMLXRSR-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220279 929927642 /nfs/dbraw/zinc/92/76/42/929927642.db2.gz QYYBQBIYMLXRSR-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217148 929928055 /nfs/dbraw/zinc/92/80/55/929928055.db2.gz NUPVZRNAMFKNQZ-OLZOCXBDSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217148 929928064 /nfs/dbraw/zinc/92/80/64/929928064.db2.gz NUPVZRNAMFKNQZ-OLZOCXBDSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220273 929928096 /nfs/dbraw/zinc/92/80/96/929928096.db2.gz QYYBQBIYMLXRSR-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220273 929928104 /nfs/dbraw/zinc/92/81/04/929928104.db2.gz QYYBQBIYMLXRSR-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221311 929928203 /nfs/dbraw/zinc/92/82/03/929928203.db2.gz VERVTJRELNHJBT-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221311 929928213 /nfs/dbraw/zinc/92/82/13/929928213.db2.gz VERVTJRELNHJBT-CMPLNLGQSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001533231291 929929826 /nfs/dbraw/zinc/92/98/26/929929826.db2.gz YROWONNDPWWWLT-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2cnoc2)C1 ZINC001533266896 929936759 /nfs/dbraw/zinc/93/67/59/929936759.db2.gz LJJUYNDPRDUFRA-NWDGAFQWSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001533268051 929937075 /nfs/dbraw/zinc/93/70/75/929937075.db2.gz RHDAOORUTKFXTI-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001533296766 929940057 /nfs/dbraw/zinc/94/00/57/929940057.db2.gz CNUXUSGDZYCQFS-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC/C=C/CNC(=O)Cn1cnnn1 ZINC001533366871 929945689 /nfs/dbraw/zinc/94/56/89/929945689.db2.gz CFQKMLJONJQTLX-NSCUHMNNSA-N 1 1 318.341 -1.333 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001533587034 929954356 /nfs/dbraw/zinc/95/43/56/929954356.db2.gz SLQBTQIICLDQAB-AOIOQCJFSA-N 1 1 308.382 -1.009 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001534141301 929961205 /nfs/dbraw/zinc/96/12/05/929961205.db2.gz JAYUFGZZPBFCAR-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)CC(N)=O ZINC001534039244 929961390 /nfs/dbraw/zinc/96/13/90/929961390.db2.gz OVDWECKPNKOPDA-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001534103315 929961422 /nfs/dbraw/zinc/96/14/22/929961422.db2.gz ICEZCUVAFBZCCR-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001534103315 929961433 /nfs/dbraw/zinc/96/14/33/929961433.db2.gz ICEZCUVAFBZCCR-SDDRHHMPSA-N 1 1 301.387 -1.045 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001534708332 929971457 /nfs/dbraw/zinc/97/14/57/929971457.db2.gz CIDTUHAPJRGRFS-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001534819248 929976078 /nfs/dbraw/zinc/97/60/78/929976078.db2.gz SVLLRDHJRMADSZ-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001534859310 929977757 /nfs/dbraw/zinc/97/77/57/929977757.db2.gz ALAJUELDTWJOGD-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1)C1CCC1 ZINC001534871493 929978007 /nfs/dbraw/zinc/97/80/07/929978007.db2.gz KNDPRXHEJOVVAO-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001534859312 929978178 /nfs/dbraw/zinc/97/81/78/929978178.db2.gz ALAJUELDTWJOGD-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C(N)=O)CC2 ZINC001535007878 929983845 /nfs/dbraw/zinc/98/38/45/929983845.db2.gz JIQXHZHJAYCCIM-CMPLNLGQSA-N 1 1 319.365 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001535186269 929989173 /nfs/dbraw/zinc/98/91/73/929989173.db2.gz DKDXTPPTPKTPMM-NSHDSACASA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001535186269 929989180 /nfs/dbraw/zinc/98/91/80/929989180.db2.gz DKDXTPPTPKTPMM-NSHDSACASA-N 1 1 312.370 -1.782 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001535530127 929992945 /nfs/dbraw/zinc/99/29/45/929992945.db2.gz KIFSLNDLBSNAEI-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001535872857 929996209 /nfs/dbraw/zinc/99/62/09/929996209.db2.gz AIVZBHPPTGSCJS-WDEREUQCSA-N 1 1 323.397 -1.083 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001536461659 930004687 /nfs/dbraw/zinc/00/46/87/930004687.db2.gz JVBATNNSFDITRP-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001537320685 930019419 /nfs/dbraw/zinc/01/94/19/930019419.db2.gz PHSLRNDLYFVSRB-IINYFYTJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001537320685 930019433 /nfs/dbraw/zinc/01/94/33/930019433.db2.gz PHSLRNDLYFVSRB-IINYFYTJSA-N 1 1 322.369 -1.408 20 0 DAADMO CN1CC[NH+](CCCNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001539128190 930022030 /nfs/dbraw/zinc/02/20/30/930022030.db2.gz KLGNECVTMOQPAI-UHFFFAOYSA-N 1 1 309.374 -1.869 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@H](CO)C1 ZINC001548468590 930030075 /nfs/dbraw/zinc/03/00/75/930030075.db2.gz AILMBDDQKKESDX-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@H](CO)C1 ZINC001548468590 930030082 /nfs/dbraw/zinc/03/00/82/930030082.db2.gz AILMBDDQKKESDX-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n(C)c1=O ZINC001548558484 930030951 /nfs/dbraw/zinc/03/09/51/930030951.db2.gz WMUCOEZJYFSFHI-NSHDSACASA-N 1 1 321.381 -1.240 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CCOCC1 ZINC001548623051 930032883 /nfs/dbraw/zinc/03/28/83/930032883.db2.gz SXNXSERVXTUXIG-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001548639123 930033536 /nfs/dbraw/zinc/03/35/36/930033536.db2.gz VHYWGOGHJAIDNQ-WDEREUQCSA-N 1 1 317.415 -2.278 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548644530 930034082 /nfs/dbraw/zinc/03/40/82/930034082.db2.gz DQWMWSLOOQQNFG-WDEREUQCSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCCS1(=O)=O ZINC001548636071 930034361 /nfs/dbraw/zinc/03/43/61/930034361.db2.gz QDXHRLKSHNSQEK-VXGBXAGGSA-N 1 1 316.427 -1.474 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548644529 930034855 /nfs/dbraw/zinc/03/48/55/930034855.db2.gz DQWMWSLOOQQNFG-QWRGUYRKSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001548619446 930034981 /nfs/dbraw/zinc/03/49/81/930034981.db2.gz GJXCDHWVSJQXFW-NEPJUHHUSA-N 1 1 316.427 -1.522 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(OCC(N)=O)CC1 ZINC001548642124 930035411 /nfs/dbraw/zinc/03/54/11/930035411.db2.gz UEPPJZVNOCHHDG-AAEUAGOBSA-N 1 1 310.398 -1.132 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548644528 930035656 /nfs/dbraw/zinc/03/56/56/930035656.db2.gz DQWMWSLOOQQNFG-MNOVXSKESA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC001548650359 930035692 /nfs/dbraw/zinc/03/56/92/930035692.db2.gz LAVUFXKXSZPHJZ-GRYCIOLGSA-N 1 1 316.427 -1.346 20 0 DAADMO CNC(=O)CN1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548625644 930036042 /nfs/dbraw/zinc/03/60/42/930036042.db2.gz VSGQIWHKYXYAQE-TZMCWYRMSA-N 1 1 323.441 -1.299 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC001548663699 930037240 /nfs/dbraw/zinc/03/72/40/930037240.db2.gz OGTNKAVKBZALCN-AAEUAGOBSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001548660789 930037652 /nfs/dbraw/zinc/03/76/52/930037652.db2.gz SLKWDVMUAKQUSA-CHWSQXEVSA-N 1 1 323.441 -1.217 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001548731089 930039791 /nfs/dbraw/zinc/03/97/91/930039791.db2.gz DQDGOVAXDHDUOL-KGLIPLIRSA-N 1 1 324.425 -1.060 20 0 DAADMO CS(=O)(=O)CC1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)COC1 ZINC001548727221 930039848 /nfs/dbraw/zinc/03/98/48/930039848.db2.gz UOVGTZLSYYPFNS-WDEREUQCSA-N 1 1 318.395 -1.675 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001548722067 930040335 /nfs/dbraw/zinc/04/03/35/930040335.db2.gz JKTZGSCZTJMYFY-KWCYVHTRSA-N 1 1 307.398 -1.172 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548712954 930040605 /nfs/dbraw/zinc/04/06/05/930040605.db2.gz PVOSNTLCMUTIBX-TUAOUCFPSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001548723710 930041376 /nfs/dbraw/zinc/04/13/76/930041376.db2.gz UVEPLPGGUFSHNA-UTUOFQBUSA-N 1 1 305.386 -1.118 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548725988 930041425 /nfs/dbraw/zinc/04/14/25/930041425.db2.gz MKNKISQMOKWAIY-RNJOBUHISA-N 1 1 311.382 -1.243 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001548731686 930041501 /nfs/dbraw/zinc/04/15/01/930041501.db2.gz QJGNDZQUCXOEIQ-MCIONIFRSA-N 1 1 320.397 -1.106 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001548722069 930041650 /nfs/dbraw/zinc/04/16/50/930041650.db2.gz JKTZGSCZTJMYFY-MRVWCRGKSA-N 1 1 307.398 -1.172 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nncn2C)CC1 ZINC001548726778 930041953 /nfs/dbraw/zinc/04/19/53/930041953.db2.gz JPTSPLKAIGMIEZ-OLZOCXBDSA-N 1 1 319.413 -1.148 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001548719419 930042058 /nfs/dbraw/zinc/04/20/58/930042058.db2.gz SLGNGORPUDGJMT-MNOVXSKESA-N 1 1 309.370 -2.469 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548712955 930042087 /nfs/dbraw/zinc/04/20/87/930042087.db2.gz PVOSNTLCMUTIBX-UTUOFQBUSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nccnn2)CC1 ZINC001548732614 930042776 /nfs/dbraw/zinc/04/27/76/930042776.db2.gz IEJNUQBIAGFLEQ-STQMWFEESA-N 1 1 317.397 -1.092 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001548811029 930042871 /nfs/dbraw/zinc/04/28/71/930042871.db2.gz RUVHSCZPZMEOHD-GWCFXTLKSA-N 1 1 309.370 -1.046 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001548789092 930043928 /nfs/dbraw/zinc/04/39/28/930043928.db2.gz UVJSMDOXRDBXPG-QWRGUYRKSA-N 1 1 306.370 -1.767 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nccnn2)CC1 ZINC001548732611 930043989 /nfs/dbraw/zinc/04/39/89/930043989.db2.gz IEJNUQBIAGFLEQ-CHWSQXEVSA-N 1 1 317.397 -1.092 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nccnn2)CC1 ZINC001548732613 930044175 /nfs/dbraw/zinc/04/41/75/930044175.db2.gz IEJNUQBIAGFLEQ-QWHCGFSZSA-N 1 1 317.397 -1.092 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001548734744 930044316 /nfs/dbraw/zinc/04/43/16/930044316.db2.gz BHHINELJYGBIPE-TYNCELHUSA-N 1 1 324.381 -1.288 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001548811032 930046213 /nfs/dbraw/zinc/04/62/13/930046213.db2.gz RUVHSCZPZMEOHD-MFKMUULPSA-N 1 1 309.370 -1.046 20 0 DAADMO Cn1nccc1[C@H]1[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)CC(=O)N1C ZINC001549046723 930051249 /nfs/dbraw/zinc/05/12/49/930051249.db2.gz BWIRVVHLYJHTJK-OUJBWJOFSA-N 1 1 307.354 -1.204 20 0 DAADMO Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@H]2COCC[NH2+]2)CC(=O)N1C ZINC001549046720 930051533 /nfs/dbraw/zinc/05/15/33/930051533.db2.gz BWIRVVHLYJHTJK-CWSCBRNRSA-N 1 1 307.354 -1.204 20 0 DAADMO O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)CNC1 ZINC001549293534 930052291 /nfs/dbraw/zinc/05/22/91/930052291.db2.gz WSIUWZGXJIIPAQ-NWDGAFQWSA-N 1 1 323.397 -1.933 20 0 DAADMO Cn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]2O)cn1 ZINC001549596079 930053649 /nfs/dbraw/zinc/05/36/49/930053649.db2.gz IBWIIVIQVXFBGN-NWDGAFQWSA-N 1 1 323.353 -1.262 20 0 DAADMO Cn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]2O)cn1 ZINC001549596079 930053663 /nfs/dbraw/zinc/05/36/63/930053663.db2.gz IBWIIVIQVXFBGN-NWDGAFQWSA-N 1 1 323.353 -1.262 20 0 DAADMO CCn1cc(O[C@@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@@H]2O)cn1 ZINC001549556016 930054723 /nfs/dbraw/zinc/05/47/23/930054723.db2.gz CNPFFJMTUTYGHR-DTWKUNHWSA-N 1 1 306.330 -1.119 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@H](O)[C@@H](Oc3cnn(C)c3)C2)C1=O ZINC001549599152 930055070 /nfs/dbraw/zinc/05/50/70/930055070.db2.gz VOEYNKZQLSXBNR-DLOVCJGASA-N 1 1 323.353 -1.216 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@H](O)[C@@H](Oc3cnn(C)c3)C2)C1=O ZINC001549599152 930055081 /nfs/dbraw/zinc/05/50/81/930055081.db2.gz VOEYNKZQLSXBNR-DLOVCJGASA-N 1 1 323.353 -1.216 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549604911 930056464 /nfs/dbraw/zinc/05/64/64/930056464.db2.gz LQUCHOCFNFXRNZ-QWRGUYRKSA-N 1 1 309.374 -1.089 20 0 DAADMO CNC(=O)NC(=O)CCN1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001549604911 930056472 /nfs/dbraw/zinc/05/64/72/930056472.db2.gz LQUCHOCFNFXRNZ-QWRGUYRKSA-N 1 1 309.374 -1.089 20 0 DAADMO O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[N@@H+]2C[C@H]1CO ZINC001549904078 930058898 /nfs/dbraw/zinc/05/88/98/930058898.db2.gz POCNWLJYCYCFTD-NEPJUHHUSA-N 1 1 305.400 -1.296 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC001550093172 930060134 /nfs/dbraw/zinc/06/01/34/930060134.db2.gz YZFDKGKIVXXKBW-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CNCCO1 ZINC001550066601 930060625 /nfs/dbraw/zinc/06/06/25/930060625.db2.gz HYVJHVBYFRWKQC-IPYPFGDCSA-N 1 1 323.397 -1.322 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)[C@H]3OCC[C@@H]3[NH3+])CC2)C1=O ZINC001550092496 930060728 /nfs/dbraw/zinc/06/07/28/930060728.db2.gz HCVLVCLLLUNCEV-AVGNSLFASA-N 1 1 310.398 -1.086 20 0 DAADMO CN1CC[C@@H](N2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC001550093170 930060857 /nfs/dbraw/zinc/06/08/57/930060857.db2.gz YZFDKGKIVXXKBW-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001550387669 930062099 /nfs/dbraw/zinc/06/20/99/930062099.db2.gz LTSVLHBQWTZZLB-YNEHKIRRSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN1C[C@H]2CCC[N@@H+]2C[C@H]1CO)NCC(=O)N1CCCC1 ZINC001550143589 930063209 /nfs/dbraw/zinc/06/32/09/930063209.db2.gz CZDKSLZYBRYUNY-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO CN1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001550115546 930063458 /nfs/dbraw/zinc/06/34/58/930063458.db2.gz BETCWOFXGDTPLE-KBPBESRZSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001551084856 930064791 /nfs/dbraw/zinc/06/47/91/930064791.db2.gz NTMDJBAGPXYZKT-CHWSQXEVSA-N 1 1 315.439 -1.017 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)C1 ZINC001551084856 930064803 /nfs/dbraw/zinc/06/48/03/930064803.db2.gz NTMDJBAGPXYZKT-CHWSQXEVSA-N 1 1 315.439 -1.017 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CN3CC(=O)N(C)C3=O)C[C@@H]1COCC2 ZINC001551406896 930064852 /nfs/dbraw/zinc/06/48/52/930064852.db2.gz LALAGDWYPBBQLV-YGRLFVJLSA-N 1 1 310.354 -1.078 20 0 DAADMO Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2CO)cn1 ZINC001551024232 930065538 /nfs/dbraw/zinc/06/55/38/930065538.db2.gz CPKMMSWKSYUADT-OLZOCXBDSA-N 1 1 321.381 -1.614 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2CO)cn1 ZINC001551024232 930065547 /nfs/dbraw/zinc/06/55/47/930065547.db2.gz CPKMMSWKSYUADT-OLZOCXBDSA-N 1 1 321.381 -1.614 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551423556 930066047 /nfs/dbraw/zinc/06/60/47/930066047.db2.gz VKTFYGZUBXQGDP-RBZYPMLTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551436074 930066155 /nfs/dbraw/zinc/06/61/55/930066155.db2.gz NUBFTZLOCCJMRP-YGRLFVJLSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNC3=O)C[C@H]1COCC2 ZINC001551421692 930066330 /nfs/dbraw/zinc/06/63/30/930066330.db2.gz RFGXZWNWQAZPPE-HZMBPMFUSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551423543 930066600 /nfs/dbraw/zinc/06/66/00/930066600.db2.gz VKTFYGZUBXQGDP-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)[C@]12C[N@H+](CCC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551412275 930067367 /nfs/dbraw/zinc/06/73/67/930067367.db2.gz UUZPEMRMRNMRLO-CZUORRHYSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551412275 930067378 /nfs/dbraw/zinc/06/73/78/930067378.db2.gz UUZPEMRMRNMRLO-CZUORRHYSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]1COCC2 ZINC001551428776 930067999 /nfs/dbraw/zinc/06/79/99/930067999.db2.gz WYFDVUGPFZXCFC-HZMBPMFUSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]1COCC2 ZINC001551415314 930068180 /nfs/dbraw/zinc/06/81/80/930068180.db2.gz CQQKPZDODZCFCD-NHYWBVRUSA-N 1 1 324.381 -1.971 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1COCC2 ZINC001551416496 930068215 /nfs/dbraw/zinc/06/82/15/930068215.db2.gz FKTQDOYCKCIXMW-IUODEOHRSA-N 1 1 311.382 -1.070 20 0 DAADMO O=C(CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)N1CCNCC1 ZINC001552163741 930071384 /nfs/dbraw/zinc/07/13/84/930071384.db2.gz UXGHFFJFJOMVCY-SNVBAGLBSA-N 1 1 307.358 -2.026 20 0 DAADMO O=C(CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)N1CCNCC1 ZINC001552163740 930071560 /nfs/dbraw/zinc/07/15/60/930071560.db2.gz UXGHFFJFJOMVCY-JTQLQIEISA-N 1 1 307.358 -2.026 20 0 DAADMO O=C(CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCNCC1 ZINC001552418531 930072359 /nfs/dbraw/zinc/07/23/59/930072359.db2.gz CBCZVAHAZXLBFM-JTQLQIEISA-N 1 1 306.370 -1.352 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](O)[C@@H](n3ccnn3)C2)C1 ZINC001552986888 930074259 /nfs/dbraw/zinc/07/42/59/930074259.db2.gz GEURFOXVOPUVGL-STQMWFEESA-N 1 1 308.386 -1.484 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)CCOCCO ZINC001558098861 930086084 /nfs/dbraw/zinc/08/60/84/930086084.db2.gz NVLWSRSLHXHLAM-JTQLQIEISA-N 1 1 301.343 -1.904 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001559635135 930089852 /nfs/dbraw/zinc/08/98/52/930089852.db2.gz LQRFJSZYJOFYMX-WDEREUQCSA-N 1 1 301.343 -2.347 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001559635135 930089862 /nfs/dbraw/zinc/08/98/62/930089862.db2.gz LQRFJSZYJOFYMX-WDEREUQCSA-N 1 1 301.343 -2.347 20 0 DAADMO CS(=O)(=O)CCC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001560085950 930090856 /nfs/dbraw/zinc/09/08/56/930090856.db2.gz QEFJOSFFCJQITF-UHFFFAOYSA-N 1 1 312.413 -1.557 20 0 DAADMO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001560444067 930092277 /nfs/dbraw/zinc/09/22/77/930092277.db2.gz BEPLXIJNCDKPPN-VXGBXAGGSA-N 1 1 313.358 -1.327 20 0 DAADMO C[C@H]1[C@H](NC(=O)NCCOCCS(N)(=O)=O)CC[N@H+]1C ZINC001564892352 930096578 /nfs/dbraw/zinc/09/65/78/930096578.db2.gz WYXHOJQKADFGJX-VHSXEESVSA-N 1 1 308.404 -1.317 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)NCCOCCS(N)(=O)=O)[C@H]2C1 ZINC001564891861 930097193 /nfs/dbraw/zinc/09/71/93/930097193.db2.gz DJXCFYOPNONGFZ-MNOVXSKESA-N 1 1 320.415 -1.363 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]2C1 ZINC001564891860 930097212 /nfs/dbraw/zinc/09/72/12/930097212.db2.gz DJXCFYOPNONGFZ-GHMZBOCLSA-N 1 1 320.415 -1.363 20 0 DAADMO C[C@H]1[C@@H](NC(=O)NCCOCCS(N)(=O)=O)CC[N@H+]1C ZINC001564892351 930097356 /nfs/dbraw/zinc/09/73/56/930097356.db2.gz WYXHOJQKADFGJX-UWVGGRQHSA-N 1 1 308.404 -1.317 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001570922237 948636204 /nfs/dbraw/zinc/63/62/04/948636204.db2.gz GUGLZZZLPWBRPJ-WHGOUJPWSA-N 1 1 321.341 -1.650 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754781 948748964 /nfs/dbraw/zinc/74/89/64/948748964.db2.gz KQVZERSGDSKAPU-SSDOTTSWSA-N 1 1 306.330 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573754781 948748969 /nfs/dbraw/zinc/74/89/69/948748969.db2.gz KQVZERSGDSKAPU-SSDOTTSWSA-N 1 1 306.330 -1.270 20 0 DAADMO C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001592417704 978019283 /nfs/dbraw/zinc/01/92/83/978019283.db2.gz AYGJVIAEPFKMEY-LLVKDONJSA-N 1 1 320.415 -1.383 20 0 DAADMO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001594513800 985809721 /nfs/dbraw/zinc/80/97/21/985809721.db2.gz PYIVPLJYZWMIPV-GHMZBOCLSA-N 1 1 312.370 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001594513800 985809740 /nfs/dbraw/zinc/80/97/40/985809740.db2.gz PYIVPLJYZWMIPV-GHMZBOCLSA-N 1 1 312.370 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001594513884 985812124 /nfs/dbraw/zinc/81/21/24/985812124.db2.gz QUAIDTISRNOGJF-SNVBAGLBSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001594513884 985812132 /nfs/dbraw/zinc/81/21/32/985812132.db2.gz QUAIDTISRNOGJF-SNVBAGLBSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001594514054 985817744 /nfs/dbraw/zinc/81/77/44/985817744.db2.gz TUBTWLWXWGTVNL-NXEZZACHSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001594514054 985817755 /nfs/dbraw/zinc/81/77/55/985817755.db2.gz TUBTWLWXWGTVNL-NXEZZACHSA-N 1 1 300.359 -1.543 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)[O-])CC1=O ZINC001598230788 990935770 /nfs/dbraw/zinc/93/57/70/990935770.db2.gz HVMZPCIZDZULTB-NSHDSACASA-N 1 1 314.386 -1.471 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001191769823 781920404 /nfs/dbraw/zinc/92/04/04/781920404.db2.gz BSIYWQLMPMHZLS-SSDOTTSWSA-N 1 1 310.318 -2.449 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001191769823 781920410 /nfs/dbraw/zinc/92/04/10/781920410.db2.gz BSIYWQLMPMHZLS-SSDOTTSWSA-N 1 1 310.318 -2.449 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191773373 781920543 /nfs/dbraw/zinc/92/05/43/781920543.db2.gz VBWQZFJMVUBKRG-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191773373 781920533 /nfs/dbraw/zinc/92/05/33/781920533.db2.gz VBWQZFJMVUBKRG-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO COCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697639 781921090 /nfs/dbraw/zinc/92/10/90/781921090.db2.gz WYMLJCHHTFSIKN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191698686 781921498 /nfs/dbraw/zinc/92/14/98/781921498.db2.gz ZKTQFHOLKUOOSZ-OPRDCNLKSA-N 1 1 321.324 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191698686 781921505 /nfs/dbraw/zinc/92/15/05/781921505.db2.gz ZKTQFHOLKUOOSZ-OPRDCNLKSA-N 1 1 321.324 -1.292 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698365 781921521 /nfs/dbraw/zinc/92/15/21/781921521.db2.gz YSJUNUSSGZVWCD-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC000668262371 545641577 /nfs/dbraw/zinc/64/15/77/545641577.db2.gz NWBOMFBYPNABPH-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241825 545643785 /nfs/dbraw/zinc/64/37/85/545643785.db2.gz RWPDCNZNJJRCQT-MXWKQRLJSA-N 1 1 322.431 -1.346 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241825 545643789 /nfs/dbraw/zinc/64/37/89/545643789.db2.gz RWPDCNZNJJRCQT-MXWKQRLJSA-N 1 1 322.431 -1.346 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394460421 545644926 /nfs/dbraw/zinc/64/49/26/545644926.db2.gz QAOUENYHQKSYES-JSGCOSHPSA-N 1 1 311.430 -1.408 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781676 781925482 /nfs/dbraw/zinc/92/54/82/781925482.db2.gz SIQOWYQTVBIFRE-VHSXEESVSA-N 1 1 309.374 -1.167 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191784622 781925695 /nfs/dbraw/zinc/92/56/95/781925695.db2.gz GVXNLWLWXTWLPJ-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1ccnc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670639830 545654469 /nfs/dbraw/zinc/65/44/69/545654469.db2.gz LXLPQQZHVIZVSF-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)N1CCNC1=O ZINC000444402021 545654563 /nfs/dbraw/zinc/65/45/63/545654563.db2.gz RJPDCNVYZBLJPB-UHFFFAOYSA-N 1 1 300.359 -1.835 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)N1CCNC1=O ZINC000444402021 545654568 /nfs/dbraw/zinc/65/45/68/545654568.db2.gz RJPDCNVYZBLJPB-UHFFFAOYSA-N 1 1 300.359 -1.835 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000355268777 545656347 /nfs/dbraw/zinc/65/63/47/545656347.db2.gz SBLOYUXKEDSRAO-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000355268777 545656357 /nfs/dbraw/zinc/65/63/57/545656357.db2.gz SBLOYUXKEDSRAO-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781675 781925786 /nfs/dbraw/zinc/92/57/86/781925786.db2.gz SIQOWYQTVBIFRE-UWVGGRQHSA-N 1 1 309.374 -1.167 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001191785519 781926042 /nfs/dbraw/zinc/92/60/42/781926042.db2.gz STVWZWPVZDSNDR-OPRDCNLKSA-N 1 1 313.358 -2.563 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191786174 781926391 /nfs/dbraw/zinc/92/63/91/781926391.db2.gz XOJNKCVXMPYQFI-FRRDWIJNSA-N 1 1 312.414 -1.234 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000407996390 545665604 /nfs/dbraw/zinc/66/56/04/545665604.db2.gz LYSYZPBBICKODG-UHFFFAOYSA-N 1 1 316.387 -1.878 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827560 781927821 /nfs/dbraw/zinc/92/78/21/781927821.db2.gz FWHIULWBMYQBEX-UXCLJVHYSA-N 1 1 310.354 -1.394 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827560 781927830 /nfs/dbraw/zinc/92/78/30/781927830.db2.gz FWHIULWBMYQBEX-UXCLJVHYSA-N 1 1 310.354 -1.394 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000644710006 545676884 /nfs/dbraw/zinc/67/68/84/545676884.db2.gz DGLFTYWRRZETOX-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602907304 545681750 /nfs/dbraw/zinc/68/17/50/545681750.db2.gz MFKCYWIKXDXOOC-NSHDSACASA-N 1 1 311.342 -1.342 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001191863524 781928325 /nfs/dbraw/zinc/92/83/25/781928325.db2.gz FVXKPUUTXBKUJL-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001191865571 781930061 /nfs/dbraw/zinc/93/00/61/781930061.db2.gz YEHILTYVGYAWBM-QJPTWQEYSA-N 1 1 301.387 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000331208095 545702658 /nfs/dbraw/zinc/70/26/58/545702658.db2.gz FOZWJVSXSCBPPU-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000331208095 545702665 /nfs/dbraw/zinc/70/26/65/545702665.db2.gz FOZWJVSXSCBPPU-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 ZINC000331182672 545703357 /nfs/dbraw/zinc/70/33/57/545703357.db2.gz NMRIZCFNUUDRHW-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO COCn1nccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655647975 545704659 /nfs/dbraw/zinc/70/46/59/545704659.db2.gz BAJUEEGTIZIFEF-WDEREUQCSA-N 1 1 316.383 -1.074 20 0 DAADMO COCn1nccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655647975 545704667 /nfs/dbraw/zinc/70/46/67/545704667.db2.gz BAJUEEGTIZIFEF-WDEREUQCSA-N 1 1 316.383 -1.074 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000331307199 545705345 /nfs/dbraw/zinc/70/53/45/545705345.db2.gz XIKNZBDVGMCMHL-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[N@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC000331307199 545705360 /nfs/dbraw/zinc/70/53/60/545705360.db2.gz XIKNZBDVGMCMHL-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCNC(C)=O)C1 ZINC000343880196 545709775 /nfs/dbraw/zinc/70/97/75/545709775.db2.gz BGPMDNCFBIVZTN-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001191988352 781932784 /nfs/dbraw/zinc/93/27/84/781932784.db2.gz OOYOTQBUMAGWLG-HLTSFMKQSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001191988352 781932795 /nfs/dbraw/zinc/93/27/95/781932795.db2.gz OOYOTQBUMAGWLG-HLTSFMKQSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001191989212 781932928 /nfs/dbraw/zinc/93/29/28/781932928.db2.gz YRSSXCLMNJYIRZ-IJLUTSLNSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001191989212 781932941 /nfs/dbraw/zinc/93/29/41/781932941.db2.gz YRSSXCLMNJYIRZ-IJLUTSLNSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001191986590 781933516 /nfs/dbraw/zinc/93/35/16/781933516.db2.gz CKLUBWSHZAHLDN-IVZWLZJFSA-N 1 1 308.342 -2.198 20 0 DAADMO Cn1[nH]c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1=O ZINC000329569466 545721675 /nfs/dbraw/zinc/72/16/75/545721675.db2.gz IJAPEWSKDSZJCK-NSHDSACASA-N 1 1 308.386 -1.153 20 0 DAADMO COC(=O)[C@H](NC(=O)CN1CC[NH+](CCO)CC1)C(C)C ZINC000351343880 545721744 /nfs/dbraw/zinc/72/17/44/545721744.db2.gz VCRHLWCOLWDJKI-CYBMUJFWSA-N 1 1 301.387 -1.090 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191989079 781934391 /nfs/dbraw/zinc/93/43/91/781934391.db2.gz XLIQWTYWCMLNGE-HTQZYQBOSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191989079 781934382 /nfs/dbraw/zinc/93/43/82/781934382.db2.gz XLIQWTYWCMLNGE-HTQZYQBOSA-N 1 1 313.314 -3.425 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cn1 ZINC001191977457 781935161 /nfs/dbraw/zinc/93/51/61/781935161.db2.gz DCXDZHLXZCHBRE-VXGBXAGGSA-N 1 1 309.370 -1.518 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369288950 283346935 /nfs/dbraw/zinc/34/69/35/283346935.db2.gz VVOPGFCBVCBGLI-SECBINFHSA-N 1 1 306.388 -1.154 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999825 781935665 /nfs/dbraw/zinc/93/56/65/781935665.db2.gz YNLJAIVIDOQTNO-MNOVXSKESA-N 1 1 310.354 -1.077 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cc1=O ZINC001191968012 781936079 /nfs/dbraw/zinc/93/60/79/781936079.db2.gz YGIIZCZHJMDFLU-GHMZBOCLSA-N 1 1 308.338 -2.078 20 0 DAADMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNC(=O)C3)C2)C1 ZINC000514658739 545738290 /nfs/dbraw/zinc/73/82/90/545738290.db2.gz PIBGYKUPPPRRJT-HNNXBMFYSA-N 1 1 308.382 -1.111 20 0 DAADMO CNS(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)co1 ZINC000358055454 545740655 /nfs/dbraw/zinc/74/06/55/545740655.db2.gz MFDWTQIRLDCHCV-LBPRGKRZSA-N 1 1 317.367 -1.016 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1C(N)=O ZINC000358205758 545742242 /nfs/dbraw/zinc/74/22/42/545742242.db2.gz XBYDDPAYWUQSQH-GFCCVEGCSA-N 1 1 316.383 -1.531 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001191979819 781937343 /nfs/dbraw/zinc/93/73/43/781937343.db2.gz WTXJAVWEOKJLPN-MGPQQGTHSA-N 1 1 321.377 -1.373 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038450 781940083 /nfs/dbraw/zinc/94/00/83/781940083.db2.gz QHQYOCHAWGBXSC-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038450 781940089 /nfs/dbraw/zinc/94/00/89/781940089.db2.gz QHQYOCHAWGBXSC-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037506 781940785 /nfs/dbraw/zinc/94/07/85/781940785.db2.gz HFNSTWJYDDKPIF-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037506 781940797 /nfs/dbraw/zinc/94/07/97/781940797.db2.gz HFNSTWJYDDKPIF-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038708 781941557 /nfs/dbraw/zinc/94/15/57/781941557.db2.gz RPAQKRIBLFMYCG-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039547 781941984 /nfs/dbraw/zinc/94/19/84/781941984.db2.gz ZHLXTSKGZYMWII-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039547 781941993 /nfs/dbraw/zinc/94/19/93/781941993.db2.gz ZHLXTSKGZYMWII-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082402 781942841 /nfs/dbraw/zinc/94/28/41/781942841.db2.gz HCCSIZXSCNQEFO-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082402 781942853 /nfs/dbraw/zinc/94/28/53/781942853.db2.gz HCCSIZXSCNQEFO-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192059606 781943240 /nfs/dbraw/zinc/94/32/40/781943240.db2.gz ICYZTFYGDKBMJF-MRVPVSSYSA-N 1 1 311.342 -2.021 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192059606 781943253 /nfs/dbraw/zinc/94/32/53/781943253.db2.gz ICYZTFYGDKBMJF-MRVPVSSYSA-N 1 1 311.342 -2.021 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093510 781944085 /nfs/dbraw/zinc/94/40/85/781944085.db2.gz LFZAAFWEUPWPGW-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093510 781944092 /nfs/dbraw/zinc/94/40/92/781944092.db2.gz LFZAAFWEUPWPGW-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082473 781944254 /nfs/dbraw/zinc/94/42/54/781944254.db2.gz HRLNHHKFDDFILE-VHSXEESVSA-N 1 1 320.415 -1.538 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001192109664 781947208 /nfs/dbraw/zinc/94/72/08/781947208.db2.gz LODTXUGIYGJDHR-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001192109664 781947217 /nfs/dbraw/zinc/94/72/17/781947217.db2.gz LODTXUGIYGJDHR-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001192109664 781947226 /nfs/dbraw/zinc/94/72/26/781947226.db2.gz LODTXUGIYGJDHR-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192186892 781947778 /nfs/dbraw/zinc/94/77/78/781947778.db2.gz GNIJDVYYQVQCBT-MGPQQGTHSA-N 1 1 316.398 -1.027 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001192164162 781947982 /nfs/dbraw/zinc/94/79/82/781947982.db2.gz HSZXANGTCSORCY-IJLUTSLNSA-N 1 1 311.338 -1.431 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001192187191 781949572 /nfs/dbraw/zinc/94/95/72/781949572.db2.gz NRCHTWOILCDBSF-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001192187191 781949580 /nfs/dbraw/zinc/94/95/80/781949580.db2.gz NRCHTWOILCDBSF-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001192222381 781950461 /nfs/dbraw/zinc/95/04/61/781950461.db2.gz MZRPHCXHGRPKRL-BFHYXJOUSA-N 1 1 309.366 -1.207 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCCO1 ZINC001192214219 781951542 /nfs/dbraw/zinc/95/15/42/781951542.db2.gz LHJKAXJMTTZLBH-UPJWGTAASA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCCO1 ZINC001192214219 781951550 /nfs/dbraw/zinc/95/15/50/781951550.db2.gz LHJKAXJMTTZLBH-UPJWGTAASA-N 1 1 302.371 -1.274 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192270637 781952398 /nfs/dbraw/zinc/95/23/98/781952398.db2.gz GNECSJOSJQTYPS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)n1cncn1 ZINC001192271181 781952697 /nfs/dbraw/zinc/95/26/97/781952697.db2.gz PUWJLCMXYDSBPA-IJLUTSLNSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)n1cncn1 ZINC001192271181 781952705 /nfs/dbraw/zinc/95/27/05/781952705.db2.gz PUWJLCMXYDSBPA-IJLUTSLNSA-N 1 1 313.358 -1.991 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320758 781954935 /nfs/dbraw/zinc/95/49/35/781954935.db2.gz JXNBCTGTRQPTNX-GMTAPVOTSA-N 1 1 313.358 -1.694 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192306368 781955081 /nfs/dbraw/zinc/95/50/81/781955081.db2.gz HKPROYOVQVKWDC-NFAWXSAZSA-N 1 1 316.398 -1.292 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001192364205 781957055 /nfs/dbraw/zinc/95/70/55/781957055.db2.gz NFDHMFCFZKAGNZ-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001192391007 781958998 /nfs/dbraw/zinc/95/89/98/781958998.db2.gz ASXHTVOMPFIMAF-YNEHKIRRSA-N 1 1 300.355 -1.498 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419365492 545765202 /nfs/dbraw/zinc/76/52/02/545765202.db2.gz XMKLWVHAWQKFER-NWDGAFQWSA-N 1 1 300.403 -1.205 20 0 DAADMO CC(C)N1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419502323 545767705 /nfs/dbraw/zinc/76/77/05/545767705.db2.gz AWJVRFVUTRZDFY-QMMMGPOBSA-N 1 1 306.313 -1.178 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000419444191 545769181 /nfs/dbraw/zinc/76/91/81/545769181.db2.gz CCEXTMQQLLBVLF-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000669657634 545769899 /nfs/dbraw/zinc/76/98/99/545769899.db2.gz PUIIRBNZLIIAMS-LPEHRKFASA-N 1 1 308.404 -1.318 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000669657634 545769907 /nfs/dbraw/zinc/76/99/07/545769907.db2.gz PUIIRBNZLIIAMS-LPEHRKFASA-N 1 1 308.404 -1.318 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000669650719 545770351 /nfs/dbraw/zinc/77/03/51/545770351.db2.gz WOSGOIQMARSJQW-SNVBAGLBSA-N 1 1 310.420 -1.069 20 0 DAADMO Cn1nnnc1CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000673000191 545770951 /nfs/dbraw/zinc/77/09/51/545770951.db2.gz ZDEZCCJIYQZCFP-UHFFFAOYSA-N 1 1 311.390 -1.149 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)S(N)(=O)=O ZINC000443516910 545779492 /nfs/dbraw/zinc/77/94/92/545779492.db2.gz COTFTKXAUCHZHI-JTQLQIEISA-N 1 1 310.420 -1.069 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C[C@@H]21 ZINC000583917757 372764870 /nfs/dbraw/zinc/76/48/70/372764870.db2.gz VLCJKHYPIWMIET-YPMHNXCESA-N 1 1 320.393 -1.018 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC(CS(N)(=O)=O)CC1 ZINC000583942893 372765260 /nfs/dbraw/zinc/76/52/60/372765260.db2.gz RHCFPFNWUMPELD-ZDUSSCGKSA-N 1 1 323.459 -1.074 20 0 DAADMO COCCN(C)C[C@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000583942893 372765265 /nfs/dbraw/zinc/76/52/65/372765265.db2.gz RHCFPFNWUMPELD-ZDUSSCGKSA-N 1 1 323.459 -1.074 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616340726 372762085 /nfs/dbraw/zinc/76/20/85/372762085.db2.gz HKGFYGHOKLKTBW-OMRXRXQOSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)N(C)C ZINC000616341000 372764306 /nfs/dbraw/zinc/76/43/06/372764306.db2.gz KGYDIXRSQWCUGD-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718570 372787755 /nfs/dbraw/zinc/78/77/55/372787755.db2.gz ZWKRJOBCNVPWIS-BQUFFADESA-N 1 1 310.398 -1.624 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157057 372792103 /nfs/dbraw/zinc/79/21/03/372792103.db2.gz MDOGFIILCGRJIR-MWLCHTKSSA-N 1 1 311.386 -1.016 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000533545439 372780828 /nfs/dbraw/zinc/78/08/28/372780828.db2.gz YMDCAMPQUHQQHA-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000533518416 372780966 /nfs/dbraw/zinc/78/09/66/372780966.db2.gz GZUSEDYEAUOFIE-SNVBAGLBSA-N 1 1 318.399 -1.058 20 0 DAADMO CN(C)S(=O)(=O)CCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000383822117 372781740 /nfs/dbraw/zinc/78/17/40/372781740.db2.gz QZWCMPNONIDZDT-LLVKDONJSA-N 1 1 306.432 -1.335 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H](C)[N@@H+]1CCO ZINC000627637650 372781940 /nfs/dbraw/zinc/78/19/40/372781940.db2.gz PDMCQOMCZRAPCP-PHIMTYICSA-N 1 1 312.370 -1.206 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000533545512 372783018 /nfs/dbraw/zinc/78/30/18/372783018.db2.gz CHSYXVFDDPMURG-VXGBXAGGSA-N 1 1 307.416 -1.697 20 0 DAADMO CS(=O)(=O)N1CCCC[C@@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624216346 372797237 /nfs/dbraw/zinc/79/72/37/372797237.db2.gz CIDZKAVZGASUCK-SSDOTTSWSA-N 1 1 301.376 -1.655 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616549422 372804490 /nfs/dbraw/zinc/80/44/90/372804490.db2.gz CAXWZVAXDWMJGT-MWLCHTKSSA-N 1 1 305.400 -1.408 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616549422 372804495 /nfs/dbraw/zinc/80/44/95/372804495.db2.gz CAXWZVAXDWMJGT-MWLCHTKSSA-N 1 1 305.400 -1.408 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(=O)n(C)n2)CC1 ZINC000556745500 372805803 /nfs/dbraw/zinc/80/58/03/372805803.db2.gz CIGIWIJECXIYRD-UHFFFAOYSA-N 1 1 307.354 -1.326 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)CO)CC2)CC1 ZINC000089423054 372818953 /nfs/dbraw/zinc/81/89/53/372818953.db2.gz KJGAEBVHLHNHNE-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO COCCOCC[N@H+](CCO)CC(=O)N1CCN(C)CC1 ZINC000625756079 372832839 /nfs/dbraw/zinc/83/28/39/372832839.db2.gz LGHFTDFUBAMIKZ-UHFFFAOYSA-N 1 1 303.403 -1.282 20 0 DAADMO COCCOCC[N@@H+](CCO)CC(=O)N1CCN(C)CC1 ZINC000625756079 372832844 /nfs/dbraw/zinc/83/28/44/372832844.db2.gz LGHFTDFUBAMIKZ-UHFFFAOYSA-N 1 1 303.403 -1.282 20 0 DAADMO COCCOCCN(CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000625756079 372832850 /nfs/dbraw/zinc/83/28/50/372832850.db2.gz LGHFTDFUBAMIKZ-UHFFFAOYSA-N 1 1 303.403 -1.282 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000600477466 372837775 /nfs/dbraw/zinc/83/77/75/372837775.db2.gz RYOZVXSZWARFMY-SNVBAGLBSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000600945602 372847005 /nfs/dbraw/zinc/84/70/05/372847005.db2.gz DQRFHJAGIUKQON-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000151574254 372851025 /nfs/dbraw/zinc/85/10/25/372851025.db2.gz TUADOPAWLMURSJ-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CN2CC(=O)N(C)C2=O)n1C ZINC000625537859 372828043 /nfs/dbraw/zinc/82/80/43/372828043.db2.gz CHXPYIBMFLDROE-UHFFFAOYSA-N 1 1 308.342 -1.004 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000119016346 372864455 /nfs/dbraw/zinc/86/44/55/372864455.db2.gz QURSXLPXNGGQFZ-GFCCVEGCSA-N 1 1 306.370 -1.052 20 0 DAADMO C[C@@H](O)CC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000075776943 372865373 /nfs/dbraw/zinc/86/53/73/372865373.db2.gz BAZWVJCKJAJIKQ-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOCC(N)=O)CC1=O ZINC000367548858 372867675 /nfs/dbraw/zinc/86/76/75/372867675.db2.gz FNNSGWGWOOVCGR-QWRGUYRKSA-N 1 1 312.370 -1.148 20 0 DAADMO O=C(NCCN1CCN(c2ncccn2)CC1)[C@H]1COCC[NH2+]1 ZINC000238095119 372870237 /nfs/dbraw/zinc/87/02/37/372870237.db2.gz PUONQMQCJQOQLA-CYBMUJFWSA-N 1 1 320.397 -1.297 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000562362771 372879176 /nfs/dbraw/zinc/87/91/76/372879176.db2.gz QTFDCESCQKLRAV-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1)S(C)(=O)=O ZINC000375314661 372856815 /nfs/dbraw/zinc/85/68/15/372856815.db2.gz ODCDZIDUTGBGIK-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1)S(C)(=O)=O ZINC000375314661 372856816 /nfs/dbraw/zinc/85/68/16/372856816.db2.gz ODCDZIDUTGBGIK-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)c(=O)n(C)c1=O ZINC000626044630 372859280 /nfs/dbraw/zinc/85/92/80/372859280.db2.gz NKLSZBDZBMCYNT-DTORHVGOSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c(=O)n(C)c1=O ZINC000626044630 372859284 /nfs/dbraw/zinc/85/92/84/372859284.db2.gz NKLSZBDZBMCYNT-DTORHVGOSA-N 1 1 310.354 -1.448 20 0 DAADMO CS(=O)(=O)NC[C@@H]1COCCN1CCC[NH+]1CCOCC1 ZINC000626094629 372861371 /nfs/dbraw/zinc/86/13/71/372861371.db2.gz DXEFDLQRCVANOZ-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358814680 372862349 /nfs/dbraw/zinc/86/23/49/372862349.db2.gz HLVJIHZOFBGWRW-SECBINFHSA-N 1 1 303.384 -1.089 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358814680 372862358 /nfs/dbraw/zinc/86/23/58/372862358.db2.gz HLVJIHZOFBGWRW-SECBINFHSA-N 1 1 303.384 -1.089 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631929 372888064 /nfs/dbraw/zinc/88/80/64/372888064.db2.gz ZVVKGLZARFLKGR-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC000622631670 372889491 /nfs/dbraw/zinc/88/94/91/372889491.db2.gz SEXRGBZOHAMASZ-LBPRGKRZSA-N 1 1 324.381 -1.490 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC000363571156 372892477 /nfs/dbraw/zinc/89/24/77/372892477.db2.gz JHXOUIZFTGQELE-ZJUUUORDSA-N 1 1 308.342 -1.644 20 0 DAADMO C[NH+]1CCN(CC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000601007739 372898124 /nfs/dbraw/zinc/89/81/24/372898124.db2.gz KQBRVRZVVSILKN-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000635903857 372899952 /nfs/dbraw/zinc/89/99/52/372899952.db2.gz ZEIZYKXHEKBPMW-NSHDSACASA-N 1 1 315.370 -1.155 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000635549830 372883912 /nfs/dbraw/zinc/88/39/12/372883912.db2.gz QOAUKTLYBPJLSF-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000562850370 372885598 /nfs/dbraw/zinc/88/55/98/372885598.db2.gz QVAVDZGHFBBYKH-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000562850370 372885605 /nfs/dbraw/zinc/88/56/05/372885605.db2.gz QVAVDZGHFBBYKH-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631072 372887594 /nfs/dbraw/zinc/88/75/94/372887594.db2.gz FUHRVHHRWCVSQJ-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO NC(=O)C[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000636448203 372923957 /nfs/dbraw/zinc/92/39/57/372923957.db2.gz ZNQCJTOQSAQUJZ-LBPRGKRZSA-N 1 1 314.386 -1.006 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536532836 372925334 /nfs/dbraw/zinc/92/53/34/372925334.db2.gz BGCNGOIVKJHLGV-CQSZACIVSA-N 1 1 323.441 -1.391 20 0 DAADMO Cn1c2[nH]c(C[NH2+]C(C)(C)CC(N)=O)nc2c(=O)n(C)c1=O ZINC000186212505 372924463 /nfs/dbraw/zinc/92/44/63/372924463.db2.gz NJLQMOKNCIIBEP-UHFFFAOYSA-N 1 1 308.342 -1.296 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000626169413 372924709 /nfs/dbraw/zinc/92/47/09/372924709.db2.gz LBBUFICLXQUGSG-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)[C@H](C[NH3+])C1 ZINC000569919315 372905804 /nfs/dbraw/zinc/90/58/04/372905804.db2.gz ZAAVZUUDXLCSAV-UONOGXRCSA-N 1 1 321.425 -1.440 20 0 DAADMO O=C(Cc1ccon1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570098935 372909823 /nfs/dbraw/zinc/90/98/23/372909823.db2.gz ZTOKUGCOIROCHE-UHFFFAOYSA-N 1 1 314.367 -1.337 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000626169413 372924720 /nfs/dbraw/zinc/92/47/20/372924720.db2.gz LBBUFICLXQUGSG-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000636259152 372917474 /nfs/dbraw/zinc/91/74/74/372917474.db2.gz ZPMCWDKIFPPMSX-MNOVXSKESA-N 1 1 303.384 -1.390 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(=O)OC ZINC000570642283 372917502 /nfs/dbraw/zinc/91/75/02/372917502.db2.gz HPAWSGVSMXHWEZ-DRCTWCGVSA-N 1 1 315.370 -1.076 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1cn(C)nn1 ZINC000636316163 372918424 /nfs/dbraw/zinc/91/84/24/372918424.db2.gz MFRGSLJRUAJIAL-UHFFFAOYSA-N 1 1 308.386 -1.020 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000536532836 372925322 /nfs/dbraw/zinc/92/53/22/372925322.db2.gz BGCNGOIVKJHLGV-CQSZACIVSA-N 1 1 323.441 -1.391 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364810023 372952640 /nfs/dbraw/zinc/95/26/40/372952640.db2.gz VNOLWFPPVDMABX-MNOVXSKESA-N 1 1 320.415 -1.302 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000626170762 372927575 /nfs/dbraw/zinc/92/75/75/372927575.db2.gz NUPAMERIWUCNRM-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000626170762 372927584 /nfs/dbraw/zinc/92/75/84/372927584.db2.gz NUPAMERIWUCNRM-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC[C@](C)(O)C3)c2c(=O)n(C)c1=O ZINC000178023813 372931508 /nfs/dbraw/zinc/93/15/08/372931508.db2.gz WGHWUPIOGFJLEL-AWEZNQCLSA-N 1 1 307.354 -1.110 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncn(C)c1=O)N1CC[NH+](C)CC1 ZINC000179717066 372933697 /nfs/dbraw/zinc/93/36/97/372933697.db2.gz ZNMKOHOFJYOJFN-ZDUSSCGKSA-N 1 1 324.429 -1.030 20 0 DAADMO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166477 372936682 /nfs/dbraw/zinc/93/66/82/372936682.db2.gz FQQZQXUQMJBSBK-LPEHRKFASA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166477 372936688 /nfs/dbraw/zinc/93/66/88/372936688.db2.gz FQQZQXUQMJBSBK-LPEHRKFASA-N 1 1 324.381 -1.060 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000591098508 372953352 /nfs/dbraw/zinc/95/33/52/372953352.db2.gz KVEUDJIMBGBFQV-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000186808051 372941742 /nfs/dbraw/zinc/94/17/42/372941742.db2.gz NMOCEVMEELQDIU-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO COCCN1CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1=O ZINC000364452401 372946264 /nfs/dbraw/zinc/94/62/64/372946264.db2.gz DTLRFTKCYQNOLW-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO COCCN1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1=O ZINC000364452401 372946274 /nfs/dbraw/zinc/94/62/74/372946274.db2.gz DTLRFTKCYQNOLW-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C[NH+](C)C ZINC000590546004 372949825 /nfs/dbraw/zinc/94/98/25/372949825.db2.gz WKDUONCPKFZLJO-SNVBAGLBSA-N 1 1 301.343 -1.545 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364810029 372950856 /nfs/dbraw/zinc/95/08/56/372950856.db2.gz VNOLWFPPVDMABX-WDEREUQCSA-N 1 1 320.415 -1.302 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201924 372966126 /nfs/dbraw/zinc/96/61/26/372966126.db2.gz WSOQNXUXRPIRPT-GXSJLCMTSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201924 372966133 /nfs/dbraw/zinc/96/61/33/372966133.db2.gz WSOQNXUXRPIRPT-GXSJLCMTSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592196513 372966380 /nfs/dbraw/zinc/96/63/80/372966380.db2.gz KSYYDJSYDSGMEG-ZJUUUORDSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592193768 372967040 /nfs/dbraw/zinc/96/70/40/372967040.db2.gz BOLHQXKOIRQUBO-WDEREUQCSA-N 1 1 316.354 -1.136 20 0 DAADMO COC(=O)[C@@H](NCC(=O)N1CC[NH+](C)CC1)c1ccnn1C ZINC000592167406 372967068 /nfs/dbraw/zinc/96/70/68/372967068.db2.gz GDCWOOTYKKZWMG-ZDUSSCGKSA-N 1 1 309.370 -1.002 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592206409 372967799 /nfs/dbraw/zinc/96/77/99/372967799.db2.gz FVSKBTGAHDPCFK-VHSXEESVSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592206409 372967806 /nfs/dbraw/zinc/96/78/06/372967806.db2.gz FVSKBTGAHDPCFK-VHSXEESVSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592196512 372967825 /nfs/dbraw/zinc/96/78/25/372967825.db2.gz KSYYDJSYDSGMEG-VHSXEESVSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592197267 372967964 /nfs/dbraw/zinc/96/79/64/372967964.db2.gz OZMQLKSNKSNXHX-AEJSXWLSSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592197267 372967966 /nfs/dbraw/zinc/96/79/66/372967966.db2.gz OZMQLKSNKSNXHX-AEJSXWLSSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)N1CCOCC1 ZINC000592388972 372969080 /nfs/dbraw/zinc/96/90/80/372969080.db2.gz RKQAJDNYEHLAKE-SNVBAGLBSA-N 1 1 307.372 -1.600 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000592210633 372969535 /nfs/dbraw/zinc/96/95/35/372969535.db2.gz ZKMDIPOZMSZREV-JHJVBQTASA-N 1 1 302.371 -1.465 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000592388955 372969652 /nfs/dbraw/zinc/96/96/52/372969652.db2.gz QUEGOKQDUQIEKJ-SECBINFHSA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000592184476 372970164 /nfs/dbraw/zinc/97/01/64/372970164.db2.gz MAGAFOJVZHSVBI-VHSXEESVSA-N 1 1 323.353 -1.160 20 0 DAADMO COC(=O)[C@H]1CNCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000592557238 372974822 /nfs/dbraw/zinc/97/48/22/372974822.db2.gz XBSPETJZXWNSBB-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591429758 372955035 /nfs/dbraw/zinc/95/50/35/372955035.db2.gz ZMRRJXMMGKAIEQ-NSHDSACASA-N 1 1 304.416 -1.111 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636619198 372955138 /nfs/dbraw/zinc/95/51/38/372955138.db2.gz XBWFNZDQVASBQT-DGCLKSJQSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591429757 372955153 /nfs/dbraw/zinc/95/51/53/372955153.db2.gz ZMRRJXMMGKAIEQ-LLVKDONJSA-N 1 1 304.416 -1.111 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@](O)(C(N)=O)C2)C1=O ZINC000595453154 373001926 /nfs/dbraw/zinc/00/19/26/373001926.db2.gz DLAJWDCBVFSSED-QMTHXVAHSA-N 1 1 313.354 -1.537 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595943339 373006518 /nfs/dbraw/zinc/00/65/18/373006518.db2.gz KSGUMPMFSMORLI-QEYWKRMJSA-N 1 1 320.367 -1.853 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+](C)C1 ZINC000593743854 372984713 /nfs/dbraw/zinc/98/47/13/372984713.db2.gz MJKIXLCBEBAECI-VIFPVBQESA-N 1 1 324.341 -2.060 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)N1CCCOCC1 ZINC000593729032 372985017 /nfs/dbraw/zinc/98/50/17/372985017.db2.gz KTYHNZMJUMJTQS-NSHDSACASA-N 1 1 321.399 -1.210 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@@H+](C)C1 ZINC000597773428 373026906 /nfs/dbraw/zinc/02/69/06/373026906.db2.gz SKYJWAHNWMUWQM-IUCAKERBSA-N 1 1 312.326 -1.852 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[N@H+](C)C1 ZINC000597775091 373027132 /nfs/dbraw/zinc/02/71/32/373027132.db2.gz QLKMCXFXJOFDCT-SNVBAGLBSA-N 1 1 308.342 -1.275 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[N@@H+](C)C1 ZINC000597775091 373027140 /nfs/dbraw/zinc/02/71/40/373027140.db2.gz QLKMCXFXJOFDCT-SNVBAGLBSA-N 1 1 308.342 -1.275 20 0 DAADMO COC(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000597770756 373027644 /nfs/dbraw/zinc/02/76/44/373027644.db2.gz AAROGMNNSLQMTI-SNVBAGLBSA-N 1 1 302.327 -1.261 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000597972372 373029090 /nfs/dbraw/zinc/02/90/90/373029090.db2.gz KUFAEWRLQOWHBT-NSHDSACASA-N 1 1 304.372 -1.448 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000597972372 373029100 /nfs/dbraw/zinc/02/91/00/373029100.db2.gz KUFAEWRLQOWHBT-NSHDSACASA-N 1 1 304.372 -1.448 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598790655 373032053 /nfs/dbraw/zinc/03/20/53/373032053.db2.gz DRMCUFIHUJCMMV-UWVGGRQHSA-N 1 1 321.399 -1.513 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)CC[N@H+](C)C1 ZINC000598791611 373032318 /nfs/dbraw/zinc/03/23/18/373032318.db2.gz CZKIUFGCTUBFBJ-OLZOCXBDSA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000598791611 373032331 /nfs/dbraw/zinc/03/23/31/373032331.db2.gz CZKIUFGCTUBFBJ-OLZOCXBDSA-N 1 1 324.381 -1.113 20 0 DAADMO COC(=O)c1cn([C@@H]2CCN(c3nc(N)nc(N)[nH+]3)C2)nn1 ZINC000599066413 373034025 /nfs/dbraw/zinc/03/40/25/373034025.db2.gz QHEDFMFJHJTFNM-ZCFIWIBFSA-N 1 1 305.302 -1.474 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cn1 ZINC000599105939 373034436 /nfs/dbraw/zinc/03/44/36/373034436.db2.gz HBAOPFSJICPHSK-SECBINFHSA-N 1 1 318.355 -1.677 20 0 DAADMO COC(=O)COCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000598989277 373035482 /nfs/dbraw/zinc/03/54/82/373035482.db2.gz FLGDZGMEJVGTLF-NSHDSACASA-N 1 1 302.375 -1.279 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000599297131 373040156 /nfs/dbraw/zinc/04/01/56/373040156.db2.gz RYWLWFDVCFHRAU-GHMZBOCLSA-N 1 1 323.415 -1.194 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000599310164 373039405 /nfs/dbraw/zinc/03/94/05/373039405.db2.gz MYRUPFQIWSYWFK-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000599570294 373048470 /nfs/dbraw/zinc/04/84/70/373048470.db2.gz WEJGESZNLVVKMC-OCCSQVGLSA-N 1 1 302.371 -1.057 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622672 373048738 /nfs/dbraw/zinc/04/87/38/373048738.db2.gz HOKZCSZMALJZCC-HONMWMINSA-N 1 1 302.371 -1.023 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622672 373048740 /nfs/dbraw/zinc/04/87/40/373048740.db2.gz HOKZCSZMALJZCC-HONMWMINSA-N 1 1 302.371 -1.023 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599663940 373049637 /nfs/dbraw/zinc/04/96/37/373049637.db2.gz IVNMUVDFMZWGRT-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599663940 373049650 /nfs/dbraw/zinc/04/96/50/373049650.db2.gz IVNMUVDFMZWGRT-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599693005 373049674 /nfs/dbraw/zinc/04/96/74/373049674.db2.gz NDBGXTLSWMPWOQ-SECBINFHSA-N 1 1 306.388 -1.297 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000599693005 373049681 /nfs/dbraw/zinc/04/96/81/373049681.db2.gz NDBGXTLSWMPWOQ-SECBINFHSA-N 1 1 306.388 -1.297 20 0 DAADMO C[C@H](CNC(=O)N[C@@H]1COC[C@@H]1O)CN1CC[NH+](C)CC1 ZINC000636844562 373068857 /nfs/dbraw/zinc/06/88/57/373068857.db2.gz BSAHYCBYIHMIEX-UPJWGTAASA-N 1 1 300.403 -1.071 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000354841931 373058108 /nfs/dbraw/zinc/05/81/08/373058108.db2.gz ACNNXPAPSNPNEE-GXTWGEPZSA-N 1 1 304.387 -1.075 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@H+](C)C1 ZINC000602056056 373060503 /nfs/dbraw/zinc/06/05/03/373060503.db2.gz YPZJHFLUIVJUNH-SNVBAGLBSA-N 1 1 323.353 -1.078 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(C)c2)CC[N@@H+](C)C1 ZINC000602056056 373060509 /nfs/dbraw/zinc/06/05/09/373060509.db2.gz YPZJHFLUIVJUNH-SNVBAGLBSA-N 1 1 323.353 -1.078 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000599562921 373044827 /nfs/dbraw/zinc/04/48/27/373044827.db2.gz JZQBCLSJPDWEDB-CQSZACIVSA-N 1 1 311.338 -1.152 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000599562921 373044833 /nfs/dbraw/zinc/04/48/33/373044833.db2.gz JZQBCLSJPDWEDB-CQSZACIVSA-N 1 1 311.338 -1.152 20 0 DAADMO CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000599531910 373046264 /nfs/dbraw/zinc/04/62/64/373046264.db2.gz VOHTVHMYDLFALG-VWYCJHECSA-N 1 1 300.355 -1.034 20 0 DAADMO CC1(C)CN(C(=O)NCCN2CC[NH2+]CC2)CCN1CCO ZINC000637039227 373073722 /nfs/dbraw/zinc/07/37/22/373073722.db2.gz WFUHBLBTYHRCBG-UHFFFAOYSA-N 1 1 313.446 -1.010 20 0 DAADMO O=C(CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000637018600 373074613 /nfs/dbraw/zinc/07/46/13/373074613.db2.gz KNYJYUKKZAFGFM-NSHDSACASA-N 1 1 300.359 -1.789 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000604722762 373076827 /nfs/dbraw/zinc/07/68/27/373076827.db2.gz FMLDSGTXOUPULK-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000604722762 373076834 /nfs/dbraw/zinc/07/68/34/373076834.db2.gz FMLDSGTXOUPULK-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000604722376 373077257 /nfs/dbraw/zinc/07/72/57/373077257.db2.gz QERXOMPWCSSWJV-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000604722376 373077263 /nfs/dbraw/zinc/07/72/63/373077263.db2.gz QERXOMPWCSSWJV-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000604721857 373077504 /nfs/dbraw/zinc/07/75/04/373077504.db2.gz WNJXZTMETLHELE-VIFPVBQESA-N 1 1 312.326 -1.756 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000604721857 373077513 /nfs/dbraw/zinc/07/75/13/373077513.db2.gz WNJXZTMETLHELE-VIFPVBQESA-N 1 1 312.326 -1.756 20 0 DAADMO C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000637127284 373083083 /nfs/dbraw/zinc/08/30/83/373083083.db2.gz FMLKZWNPTOKQLI-WDEREUQCSA-N 1 1 322.431 -1.104 20 0 DAADMO C[C@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000637127284 373083087 /nfs/dbraw/zinc/08/30/87/373083087.db2.gz FMLKZWNPTOKQLI-WDEREUQCSA-N 1 1 322.431 -1.104 20 0 DAADMO COCCC[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000365606876 373090501 /nfs/dbraw/zinc/09/05/01/373090501.db2.gz NMKRVWIPRAIMGT-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)CN1CCOCC1 ZINC000336841636 373092531 /nfs/dbraw/zinc/09/25/31/373092531.db2.gz PBUUNHQVBUJVER-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)CN1CCOCC1 ZINC000336841636 373092537 /nfs/dbraw/zinc/09/25/37/373092537.db2.gz PBUUNHQVBUJVER-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336797646 373092973 /nfs/dbraw/zinc/09/29/73/373092973.db2.gz BAROCUFVBQXHIR-SNVBAGLBSA-N 1 1 313.445 -1.074 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336797646 373092977 /nfs/dbraw/zinc/09/29/77/373092977.db2.gz BAROCUFVBQXHIR-SNVBAGLBSA-N 1 1 313.445 -1.074 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000337472935 373100195 /nfs/dbraw/zinc/10/01/95/373100195.db2.gz WZBBBCNMARFUSY-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000262418986 373110723 /nfs/dbraw/zinc/11/07/23/373110723.db2.gz ZVWVSDWIPRDLNT-MFKMUULPSA-N 1 1 307.354 -1.028 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000320253412 373113116 /nfs/dbraw/zinc/11/31/16/373113116.db2.gz QFCJDZSQJCFLNX-CYBMUJFWSA-N 1 1 310.310 -1.473 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000320253412 373113123 /nfs/dbraw/zinc/11/31/23/373113123.db2.gz QFCJDZSQJCFLNX-CYBMUJFWSA-N 1 1 310.310 -1.473 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000338030744 373114177 /nfs/dbraw/zinc/11/41/77/373114177.db2.gz XTPVNRJIMFEOND-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO O=C(Cn1cnnn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570968434 373114260 /nfs/dbraw/zinc/11/42/60/373114260.db2.gz RLCOYWCQPIENDJ-UHFFFAOYSA-N 1 1 315.359 -2.881 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000051649906 373070007 /nfs/dbraw/zinc/07/00/07/373070007.db2.gz LZVYAMXXSAVRAC-GFCCVEGCSA-N 1 1 317.415 -1.332 20 0 DAADMO C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000636949033 373071783 /nfs/dbraw/zinc/07/17/83/373071783.db2.gz AZFCPNKXBIKTKP-ONGXEEELSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636949033 373071794 /nfs/dbraw/zinc/07/17/94/373071794.db2.gz AZFCPNKXBIKTKP-ONGXEEELSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000636949032 373072601 /nfs/dbraw/zinc/07/26/01/373072601.db2.gz AZFCPNKXBIKTKP-MWLCHTKSSA-N 1 1 320.415 -1.352 20 0 DAADMO C[C@@H](NC(=O)N1CC(NS(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000636949032 373072615 /nfs/dbraw/zinc/07/26/15/373072615.db2.gz AZFCPNKXBIKTKP-MWLCHTKSSA-N 1 1 320.415 -1.352 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413896394 373157926 /nfs/dbraw/zinc/15/79/26/373157926.db2.gz GEDKAFGVSOJJSY-SECBINFHSA-N 1 1 322.387 -2.397 20 0 DAADMO O=S(=O)([C@@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376250 373162895 /nfs/dbraw/zinc/16/28/95/373162895.db2.gz IUZXKIDMUUDQRK-JHJVBQTASA-N 1 1 320.411 -1.128 20 0 DAADMO O=S(=O)([C@@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376250 373162897 /nfs/dbraw/zinc/16/28/97/373162897.db2.gz IUZXKIDMUUDQRK-JHJVBQTASA-N 1 1 320.411 -1.128 20 0 DAADMO COC(=O)CNC(=O)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000366454573 373128471 /nfs/dbraw/zinc/12/84/71/373128471.db2.gz DEQNVILNBSCLEU-IINYFYTJSA-N 1 1 314.338 -1.213 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC(CO)C2)C1 ZINC000339729904 373131456 /nfs/dbraw/zinc/13/14/56/373131456.db2.gz OPJBWQWJARSCBY-CYBMUJFWSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC(CO)C2)C1 ZINC000339729908 373131748 /nfs/dbraw/zinc/13/17/48/373131748.db2.gz OPJBWQWJARSCBY-ZDUSSCGKSA-N 1 1 313.398 -1.090 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262627450 373131873 /nfs/dbraw/zinc/13/18/73/373131873.db2.gz DQTGTAGJCGFEPE-NSHDSACASA-N 1 1 316.427 -1.444 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000571171176 373141873 /nfs/dbraw/zinc/14/18/73/373141873.db2.gz FJGAUILXCWTUIE-UHFFFAOYSA-N 1 1 306.432 -1.193 20 0 DAADMO CN(CCCNC(=O)C1(S(N)(=O)=O)CC1)CC[NH+](C)C ZINC000571171176 373141883 /nfs/dbraw/zinc/14/18/83/373141883.db2.gz FJGAUILXCWTUIE-UHFFFAOYSA-N 1 1 306.432 -1.193 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000571185369 373142557 /nfs/dbraw/zinc/14/25/57/373142557.db2.gz FHQFDAYWTIJONL-AAXDQBDMSA-N 1 1 310.398 -1.481 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000571185373 373142798 /nfs/dbraw/zinc/14/27/98/373142798.db2.gz FHQFDAYWTIJONL-UKJIMTQDSA-N 1 1 310.398 -1.481 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCCN[C@@H]3C2)CC1=O ZINC000571332108 373145325 /nfs/dbraw/zinc/14/53/25/373145325.db2.gz WDVHLLFVRIQOIX-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(C)Cn1c(N)c(C(=O)C[NH2+]C(CO)CO)c(=O)[nH]c1=O ZINC000571341843 373146910 /nfs/dbraw/zinc/14/69/10/373146910.db2.gz QLPDFKJEIITBGN-UHFFFAOYSA-N 1 1 314.342 -1.687 20 0 DAADMO CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000340022621 373147536 /nfs/dbraw/zinc/14/75/36/373147536.db2.gz NRGPLTGRIOVIIJ-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCNC(=O)[C@H]1CC(=O)OC ZINC000571384867 373149081 /nfs/dbraw/zinc/14/90/81/373149081.db2.gz SWMQJBDEUFFERH-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)N2CCNCC2=O)CC1 ZINC000638275448 373210756 /nfs/dbraw/zinc/21/07/56/373210756.db2.gz SEOWIFJIQXAVRP-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@H](C)N2CCNCC2=O)CC1 ZINC000638275449 373212248 /nfs/dbraw/zinc/21/22/48/373212248.db2.gz SEOWIFJIQXAVRP-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(C)(CN1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+]1CCOCC1 ZINC000638164959 373212460 /nfs/dbraw/zinc/21/24/60/373212460.db2.gz KSMDNPWRSJQYNZ-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000638164959 373212469 /nfs/dbraw/zinc/21/24/69/373212469.db2.gz KSMDNPWRSJQYNZ-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)(C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000638164959 373212473 /nfs/dbraw/zinc/21/24/73/373212473.db2.gz KSMDNPWRSJQYNZ-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO COCC[NH2+]CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638476777 373221570 /nfs/dbraw/zinc/22/15/70/373221570.db2.gz KOQFPUXXEJNOFD-UHFFFAOYSA-N 1 1 313.402 -1.608 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000637672696 373179659 /nfs/dbraw/zinc/17/96/59/373179659.db2.gz WLUZDXIIHURXKP-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO O[C@@H]1C[NH+](Cc2cccc(CN3C[C@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628849 373187746 /nfs/dbraw/zinc/18/77/46/373187746.db2.gz GHISCPQVHGOBRV-RUPPMWDTSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@H]1O ZINC000278628849 373187752 /nfs/dbraw/zinc/18/77/52/373187752.db2.gz GHISCPQVHGOBRV-RUPPMWDTSA-N 1 1 308.378 -1.239 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292676107 373224949 /nfs/dbraw/zinc/22/49/49/373224949.db2.gz ZWKHONQLFRILNB-CQSZACIVSA-N 1 1 308.338 -1.039 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000279281841 373190163 /nfs/dbraw/zinc/19/01/63/373190163.db2.gz LMEAXHFFWVIGAI-UHFFFAOYSA-N 1 1 307.354 -1.073 20 0 DAADMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000282064516 373201661 /nfs/dbraw/zinc/20/16/61/373201661.db2.gz BQGIOPAJVZBYCA-GMSGAONNSA-N 1 1 323.353 -2.037 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC000340101602 373201688 /nfs/dbraw/zinc/20/16/88/373201688.db2.gz VCWVNQCTFCMVQA-SNVBAGLBSA-N 1 1 310.358 -1.331 20 0 DAADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638495296 373225714 /nfs/dbraw/zinc/22/57/14/373225714.db2.gz JRUPFKYPSSNLMK-HUBLWGQQSA-N 1 1 310.398 -1.322 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686772 373275677 /nfs/dbraw/zinc/27/56/77/373275677.db2.gz WSKFIDNXMNJJMH-NSHDSACASA-N 1 1 300.403 -1.193 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NC(CO)CO)C2)CC1 ZINC000608686772 373275682 /nfs/dbraw/zinc/27/56/82/373275682.db2.gz WSKFIDNXMNJJMH-NSHDSACASA-N 1 1 300.403 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608009511 373237708 /nfs/dbraw/zinc/23/77/08/373237708.db2.gz GXCJWLQQJSLVEV-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608009511 373237717 /nfs/dbraw/zinc/23/77/17/373237717.db2.gz GXCJWLQQJSLVEV-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NC[C@@]1(OCCO)CCOC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000617709091 373277804 /nfs/dbraw/zinc/27/78/04/373277804.db2.gz PSDNUXQVIKZWDD-HIFRSBDPSA-N 1 1 313.398 -1.340 20 0 DAADMO CNC(=O)N[C@H]1CCN(CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000342357249 373243890 /nfs/dbraw/zinc/24/38/90/373243890.db2.gz QXDFDMJVBOPMOO-RYUDHWBXSA-N 1 1 312.418 -1.007 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)N1CC[NH+](CCO)CC1 ZINC000328917012 373252725 /nfs/dbraw/zinc/25/27/25/373252725.db2.gz RMRWDANYAYOOFE-UHFFFAOYSA-N 1 1 305.400 -1.452 20 0 DAADMO C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000189933614 373257553 /nfs/dbraw/zinc/25/75/53/373257553.db2.gz IOYWHDFFGICFSV-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CO[C@@]1(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CCOC1 ZINC000332938533 373258945 /nfs/dbraw/zinc/25/89/45/373258945.db2.gz PBONXJZDEMCBMH-KBPBESRZSA-N 1 1 302.371 -1.009 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000334078476 373259364 /nfs/dbraw/zinc/25/93/64/373259364.db2.gz CYJCYRDOGLCMDJ-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO COCC[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000193094552 373261461 /nfs/dbraw/zinc/26/14/61/373261461.db2.gz LFGIDRAUPJQKKK-UHFFFAOYSA-N 1 1 310.354 -1.662 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)N1CCNC(=O)C1 ZINC000536545362 373265202 /nfs/dbraw/zinc/26/52/02/373265202.db2.gz LBDZXHMWHDQAJP-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O[C@H](CN1CCOCC1)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639862272 373288197 /nfs/dbraw/zinc/28/81/97/373288197.db2.gz ZHZFKFYKUIMCIA-KGLIPLIRSA-N 1 1 311.386 -1.328 20 0 DAADMO O[C@H](CN1CCOCC1)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639862272 373288205 /nfs/dbraw/zinc/28/82/05/373288205.db2.gz ZHZFKFYKUIMCIA-KGLIPLIRSA-N 1 1 311.386 -1.328 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639852006 373288439 /nfs/dbraw/zinc/28/84/39/373288439.db2.gz QPTLEZHQBTZKJU-VXGBXAGGSA-N 1 1 310.416 -1.240 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639852006 373288448 /nfs/dbraw/zinc/28/84/48/373288448.db2.gz QPTLEZHQBTZKJU-VXGBXAGGSA-N 1 1 310.416 -1.240 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000626517492 373295600 /nfs/dbraw/zinc/29/56/00/373295600.db2.gz NPDIFWOSVIVYLK-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C1 ZINC000626517495 373296840 /nfs/dbraw/zinc/29/68/40/373296840.db2.gz NPDIFWOSVIVYLK-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncn(C)c1=O)N1CC[NH+](C)CC1 ZINC000179717055 373299933 /nfs/dbraw/zinc/29/99/33/373299933.db2.gz ZNMKOHOFJYOJFN-CYBMUJFWSA-N 1 1 324.429 -1.030 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000179496151 373301032 /nfs/dbraw/zinc/30/10/32/373301032.db2.gz QGCAYPKIBBLXBF-CYBMUJFWSA-N 1 1 324.429 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000572052201 373329560 /nfs/dbraw/zinc/32/95/60/373329560.db2.gz PQRXOLNDIXOQGP-SNVBAGLBSA-N 1 1 308.404 -1.997 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c(=O)[nH]c1=O ZINC000190856053 373305063 /nfs/dbraw/zinc/30/50/63/373305063.db2.gz DLDJANLPLPAKIQ-BDAKNGLRSA-N 1 1 310.354 -1.118 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)c(=O)[nH]c1=O ZINC000190856053 373305066 /nfs/dbraw/zinc/30/50/66/373305066.db2.gz DLDJANLPLPAKIQ-BDAKNGLRSA-N 1 1 310.354 -1.118 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1=O ZINC000639945275 373306269 /nfs/dbraw/zinc/30/62/69/373306269.db2.gz UEMPDDALCSXLIW-WZYXQFPFSA-N 1 1 308.338 -1.089 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCCC(=O)NC(N)=O)CCN2C1=O ZINC000610605704 373306571 /nfs/dbraw/zinc/30/65/71/373306571.db2.gz VTQZDIMSFIQUMQ-VIFPVBQESA-N 1 1 311.342 -1.070 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)NC(=O)NC)CCN2C1=O ZINC000610605661 373307087 /nfs/dbraw/zinc/30/70/87/373307087.db2.gz QROHOQDLFFERAG-SECBINFHSA-N 1 1 311.342 -1.200 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1=O ZINC000639945274 373307275 /nfs/dbraw/zinc/30/72/75/373307275.db2.gz UEMPDDALCSXLIW-ULCPSODYSA-N 1 1 308.338 -1.089 20 0 DAADMO C[C@]12C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC000639952522 373307555 /nfs/dbraw/zinc/30/75/55/373307555.db2.gz UCQYFRHCLJDYRW-TUKIKUTGSA-N 1 1 311.382 -1.336 20 0 DAADMO CCS(=O)(=O)NCCN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059677 373309056 /nfs/dbraw/zinc/30/90/56/373309056.db2.gz VYNRFSHACMPYDG-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO C[C@@H]1NC(=O)N(CCN(C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051705 373310235 /nfs/dbraw/zinc/31/02/35/373310235.db2.gz WTYJLLXFHSCKQU-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627386680 373316738 /nfs/dbraw/zinc/31/67/38/373316738.db2.gz UZADZJRBYYHJRH-LBPRGKRZSA-N 1 1 316.402 -1.743 20 0 DAADMO COC(=O)CCNC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000567111344 373317756 /nfs/dbraw/zinc/31/77/56/373317756.db2.gz WNTUUNLPJXJSSM-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419365485 373320661 /nfs/dbraw/zinc/32/06/61/373320661.db2.gz XMKLWVHAWQKFER-NEPJUHHUSA-N 1 1 300.403 -1.205 20 0 DAADMO COCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCOC1 ZINC000420175692 373322491 /nfs/dbraw/zinc/32/24/91/373322491.db2.gz ORJYBNISCLEYNZ-SECBINFHSA-N 1 1 309.313 -1.040 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073638954 373326456 /nfs/dbraw/zinc/32/64/56/373326456.db2.gz QPEZKRKTTKCONQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073638954 373326463 /nfs/dbraw/zinc/32/64/63/373326463.db2.gz QPEZKRKTTKCONQ-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O[C@@H]1CN(CC(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c2ccccc2)C[C@@H]1O ZINC000639507742 373280416 /nfs/dbraw/zinc/28/04/16/373280416.db2.gz MIESHFGAYFVRAC-WNKDZCFJSA-N 1 1 322.405 -1.155 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628585275 373374556 /nfs/dbraw/zinc/37/45/56/373374556.db2.gz PSEURPLNWMLXMW-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000628797951 373376752 /nfs/dbraw/zinc/37/67/52/373376752.db2.gz GLXCBJAZPYMMHV-LLVKDONJSA-N 1 1 302.400 -1.864 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261961680 373332324 /nfs/dbraw/zinc/33/23/24/373332324.db2.gz PRXLAHKAGOMUDU-FOGDFJRCSA-N 1 1 312.370 -1.784 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522505 373334132 /nfs/dbraw/zinc/33/41/32/373334132.db2.gz FRHDYJJGIARHNP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522506 373334210 /nfs/dbraw/zinc/33/42/10/373334210.db2.gz FRHDYJJGIARHNP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000574988057 373342165 /nfs/dbraw/zinc/34/21/65/373342165.db2.gz GGJLDPMLRWUQQS-UHFFFAOYSA-N 1 1 313.383 -1.602 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000574988057 373342173 /nfs/dbraw/zinc/34/21/73/373342173.db2.gz GGJLDPMLRWUQQS-UHFFFAOYSA-N 1 1 313.383 -1.602 20 0 DAADMO COCC(=O)NC1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000332958652 373342319 /nfs/dbraw/zinc/34/23/19/373342319.db2.gz GUNDOAWTWCGELV-LBPRGKRZSA-N 1 1 313.402 -1.611 20 0 DAADMO C[C@H](C(=O)N1CC(NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000628799786 373377529 /nfs/dbraw/zinc/37/75/29/373377529.db2.gz JOJVWYGCFZPGQF-SNVBAGLBSA-N 1 1 304.416 -1.618 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000612016435 373343909 /nfs/dbraw/zinc/34/39/09/373343909.db2.gz OOUUHYOXJOMBMT-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000612669446 373358593 /nfs/dbraw/zinc/35/85/93/373358593.db2.gz GUUJRQTVPXRUHU-VECUTGAWSA-N 1 1 300.355 -1.766 20 0 DAADMO C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000612669446 373358599 /nfs/dbraw/zinc/35/85/99/373358599.db2.gz GUUJRQTVPXRUHU-VECUTGAWSA-N 1 1 300.355 -1.766 20 0 DAADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC([NH+](C)C)C1 ZINC000613118017 373365699 /nfs/dbraw/zinc/36/56/99/373365699.db2.gz NMSBEZJQHHWQQM-UHFFFAOYSA-N 1 1 314.367 -1.372 20 0 DAADMO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000537311757 373366166 /nfs/dbraw/zinc/36/61/66/373366166.db2.gz RNEPXINXLXJSQA-SECBINFHSA-N 1 1 313.383 -1.117 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000629805355 373408802 /nfs/dbraw/zinc/40/88/02/373408802.db2.gz YNACDKXILMMJCY-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO CCN1CCN(CC(=O)NCC[N@H+]2CC[C@H](O)C2)C(=O)C1=O ZINC000629912080 373412902 /nfs/dbraw/zinc/41/29/02/373412902.db2.gz JBRZUFAYYSTHDA-NSHDSACASA-N 1 1 312.370 -2.140 20 0 DAADMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629910607 373412946 /nfs/dbraw/zinc/41/29/46/373412946.db2.gz CATYKRRQXYIELE-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NCCN2CC[C@H](O)C2)CC1=O ZINC000629913578 373413122 /nfs/dbraw/zinc/41/31/22/373413122.db2.gz LLISRGCUCCIGHN-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911841 373413154 /nfs/dbraw/zinc/41/31/54/373413154.db2.gz BLAVXMHRFGTKEP-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913544 373413627 /nfs/dbraw/zinc/41/36/27/373413627.db2.gz GCBLQOSZGQVVLH-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2=O)cn1 ZINC000629918818 373416185 /nfs/dbraw/zinc/41/61/85/373416185.db2.gz QJIYGJSISPFJOU-YPMHNXCESA-N 1 1 321.381 -1.044 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629918194 373417007 /nfs/dbraw/zinc/41/70/07/373417007.db2.gz ZDFAIOYIBITAOH-NSHDSACASA-N 1 1 309.370 -1.436 20 0 DAADMO COC[C@H](CS(=O)(=O)N1CCC[N@H+](CCO)CC1)OC ZINC000641341089 373422389 /nfs/dbraw/zinc/42/23/89/373422389.db2.gz KEFHKAPTXCCENT-GFCCVEGCSA-N 1 1 310.416 -1.022 20 0 DAADMO COC[C@H](CS(=O)(=O)N1CCC[N@@H+](CCO)CC1)OC ZINC000641341089 373422397 /nfs/dbraw/zinc/42/23/97/373422397.db2.gz KEFHKAPTXCCENT-GFCCVEGCSA-N 1 1 310.416 -1.022 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000629173806 373383034 /nfs/dbraw/zinc/38/30/34/373383034.db2.gz VPYHZMMZQJNSLP-SECBINFHSA-N 1 1 314.367 -1.475 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172642 373383521 /nfs/dbraw/zinc/38/35/21/373383521.db2.gz GCBLQOSZGQVVLH-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629168616 373383828 /nfs/dbraw/zinc/38/38/28/373383828.db2.gz ZDFAIOYIBITAOH-LLVKDONJSA-N 1 1 309.370 -1.436 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174171 373383924 /nfs/dbraw/zinc/38/39/24/373383924.db2.gz STEBVRFCTBHJGF-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629178056 373384721 /nfs/dbraw/zinc/38/47/21/373384721.db2.gz CATYKRRQXYIELE-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629178055 373384765 /nfs/dbraw/zinc/38/47/65/373384765.db2.gz CATYKRRQXYIELE-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000629171589 373384956 /nfs/dbraw/zinc/38/49/56/373384956.db2.gz FALVHUGJAWREDX-SNVBAGLBSA-N 1 1 314.367 -1.475 20 0 DAADMO Cn1nnnc1SCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629176870 373385249 /nfs/dbraw/zinc/38/52/49/373385249.db2.gz ZQXRWAXPXZFBSF-SECBINFHSA-N 1 1 300.388 -1.125 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)C1 ZINC000629568347 373397865 /nfs/dbraw/zinc/39/78/65/373397865.db2.gz JQKPMJKOWBMLBJ-MNOVXSKESA-N 1 1 305.400 -1.285 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)C1 ZINC000629568350 373398318 /nfs/dbraw/zinc/39/83/18/373398318.db2.gz JQKPMJKOWBMLBJ-WDEREUQCSA-N 1 1 305.400 -1.285 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629573322 373398412 /nfs/dbraw/zinc/39/84/12/373398412.db2.gz FIXYTJQMMXKKDI-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCOCC[NH3+])CC1 ZINC000629579728 373400285 /nfs/dbraw/zinc/40/02/85/373400285.db2.gz QDVVGCAHRUQAAK-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642222693 373438938 /nfs/dbraw/zinc/43/89/38/373438938.db2.gz VZJKANLVHYZVSS-VXGBXAGGSA-N 1 1 300.403 -1.077 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642222692 373439363 /nfs/dbraw/zinc/43/93/63/373439363.db2.gz VZJKANLVHYZVSS-RYUDHWBXSA-N 1 1 300.403 -1.077 20 0 DAADMO COC[C@]1(CNS(=O)(=O)C[C@H]2CNCCO2)CCC[NH2+]1 ZINC000631936429 373441906 /nfs/dbraw/zinc/44/19/06/373441906.db2.gz BVYMNJSNVLMHFM-VXGBXAGGSA-N 1 1 307.416 -1.337 20 0 DAADMO COCCN1CC[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000623794536 373442524 /nfs/dbraw/zinc/44/25/24/373442524.db2.gz XTJJTSCFNSBVRT-LLVKDONJSA-N 1 1 306.432 -1.213 20 0 DAADMO O=C1C[C@H](S(=O)(=O)NC[C@H]2COCC[NH2+]2)CN1C1CC1 ZINC000631954115 373443491 /nfs/dbraw/zinc/44/34/91/373443491.db2.gz BSGDIZRFNULKGF-ONGXEEELSA-N 1 1 303.384 -1.343 20 0 DAADMO CC(C)[C@@H](CNC(=O)CN1CCNCC1=O)[NH+]1CCOCC1 ZINC000236680969 373460275 /nfs/dbraw/zinc/46/02/75/373460275.db2.gz GLJPPTZWWZTGBN-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090929 373461455 /nfs/dbraw/zinc/46/14/55/373461455.db2.gz RZZJTRPLZALDLH-KOLCDFICSA-N 1 1 320.415 -1.688 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090929 373461459 /nfs/dbraw/zinc/46/14/59/373461459.db2.gz RZZJTRPLZALDLH-KOLCDFICSA-N 1 1 320.415 -1.688 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000613581864 373462312 /nfs/dbraw/zinc/46/23/12/373462312.db2.gz GENGQVHXLPTNNS-LLVKDONJSA-N 1 1 322.431 -1.668 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000613655623 373463963 /nfs/dbraw/zinc/46/39/63/373463963.db2.gz LMHAZSAUWYJEKN-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614505087 373481786 /nfs/dbraw/zinc/48/17/86/373481786.db2.gz JDIFDCVSKAATLJ-RYUDHWBXSA-N 1 1 318.443 -1.180 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613693746 373466717 /nfs/dbraw/zinc/46/67/17/373466717.db2.gz HFJTYDBIDNQUFF-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613693746 373466723 /nfs/dbraw/zinc/46/67/23/373466723.db2.gz HFJTYDBIDNQUFF-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614505086 373482076 /nfs/dbraw/zinc/48/20/76/373482076.db2.gz JDIFDCVSKAATLJ-NWDGAFQWSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000613757033 373468778 /nfs/dbraw/zinc/46/87/78/373468778.db2.gz AYKSREQEHBNKCD-KOLCDFICSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000613789527 373469211 /nfs/dbraw/zinc/46/92/11/373469211.db2.gz DKFIQIQFZGLQGH-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000613776995 373469579 /nfs/dbraw/zinc/46/95/79/373469579.db2.gz KAQXVRSKZKIQIS-UHFFFAOYSA-N 1 1 322.431 -1.703 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000614503468 373482188 /nfs/dbraw/zinc/48/21/88/373482188.db2.gz MFDNAKXFFSLYLB-GFCCVEGCSA-N 1 1 308.386 -1.522 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000614512351 373482231 /nfs/dbraw/zinc/48/22/31/373482231.db2.gz PZWBSNCBFALPPU-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)S(N)(=O)=O ZINC000614506167 373482309 /nfs/dbraw/zinc/48/23/09/373482309.db2.gz WTNPCZPYZCHJCC-RYUDHWBXSA-N 1 1 318.443 -1.050 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614074962 373475084 /nfs/dbraw/zinc/47/50/84/373475084.db2.gz YEDQDOFMJHFLKV-SWLSCSKDSA-N 1 1 307.350 -1.414 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614098747 373475092 /nfs/dbraw/zinc/47/50/92/373475092.db2.gz UIBQXDWSPQVFPX-VHSXEESVSA-N 1 1 308.379 -1.315 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1(C)C ZINC000614451061 373479500 /nfs/dbraw/zinc/47/95/00/373479500.db2.gz PQGVFOIZUPZSNU-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000614506056 373482630 /nfs/dbraw/zinc/48/26/30/373482630.db2.gz DTRVEIORODGOHH-SNVBAGLBSA-N 1 1 323.353 -2.087 20 0 DAADMO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)C[C@H](C)N1CCO ZINC000567249291 373534539 /nfs/dbraw/zinc/53/45/39/373534539.db2.gz PGONXYXNXZWPHO-HZSPNIEDSA-N 1 1 313.446 -1.014 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000627262334 373491361 /nfs/dbraw/zinc/49/13/61/373491361.db2.gz LZKLKKAPTZVBFK-QWHCGFSZSA-N 1 1 310.398 -1.572 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000127462851 373492437 /nfs/dbraw/zinc/49/24/37/373492437.db2.gz YRIUOCIUNPIREJ-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@@H]12 ZINC000539812153 373497008 /nfs/dbraw/zinc/49/70/08/373497008.db2.gz KIGMLIHJFDKRBD-TUAOUCFPSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@@H]12 ZINC000539812153 373497016 /nfs/dbraw/zinc/49/70/16/373497016.db2.gz KIGMLIHJFDKRBD-TUAOUCFPSA-N 1 1 313.354 -1.221 20 0 DAADMO C[C@@H](C(=O)NCCN1CCNC(=O)C1)[NH+]1CCSCC1 ZINC000541903743 373498975 /nfs/dbraw/zinc/49/89/75/373498975.db2.gz WSIXJSOAIKQFBO-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627267858 373501467 /nfs/dbraw/zinc/50/14/67/373501467.db2.gz TYPKRGBLYQFDGF-GRYCIOLGSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615203126 373506424 /nfs/dbraw/zinc/50/64/24/373506424.db2.gz JOBSXMBMGITZKG-LBPRGKRZSA-N 1 1 304.416 -1.063 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1nc2n(n1)CCCN2 ZINC000615209142 373506660 /nfs/dbraw/zinc/50/66/60/373506660.db2.gz LYEGUMZOESNJKZ-GHMZBOCLSA-N 1 1 308.386 -1.122 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129166 373516563 /nfs/dbraw/zinc/51/65/63/373516563.db2.gz VQPBWNYQXKLLFP-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129166 373516575 /nfs/dbraw/zinc/51/65/75/373516575.db2.gz VQPBWNYQXKLLFP-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000565870793 373523898 /nfs/dbraw/zinc/52/38/98/373523898.db2.gz DECIHQUBBVUHSG-QWHCGFSZSA-N 1 1 323.459 -1.109 20 0 DAADMO CCS(=O)(=O)NCCCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000566244710 373527000 /nfs/dbraw/zinc/52/70/00/373527000.db2.gz XYGPRGPLYDBPJO-UHFFFAOYSA-N 1 1 306.432 -1.321 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000566385389 373528677 /nfs/dbraw/zinc/52/86/77/373528677.db2.gz DURCBQPZWZZDET-NEPJUHHUSA-N 1 1 316.427 -1.474 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(COC)C1=O ZINC000566481804 373530676 /nfs/dbraw/zinc/53/06/76/373530676.db2.gz QHNONACPUABYSH-GXFFZTMASA-N 1 1 303.359 -1.118 20 0 DAADMO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H](C)N1CCO ZINC000567249292 373533945 /nfs/dbraw/zinc/53/39/45/373533945.db2.gz PGONXYXNXZWPHO-MJBXVCDLSA-N 1 1 313.446 -1.014 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCS(=O)(=O)N1 ZINC000614514351 373483765 /nfs/dbraw/zinc/48/37/65/373483765.db2.gz MZOYMSNLWIHHRS-MNOVXSKESA-N 1 1 302.400 -1.816 20 0 DAADMO CC(=O)c1cn(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000614515660 373483992 /nfs/dbraw/zinc/48/39/92/373483992.db2.gz YNQAJJIGHMABJK-LBPRGKRZSA-N 1 1 306.370 -1.013 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)COCC(=O)OC)CC1 ZINC000578895294 373586779 /nfs/dbraw/zinc/58/67/79/373586779.db2.gz LPYIUXZHNYKPDR-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000579387738 373592376 /nfs/dbraw/zinc/59/23/76/373592376.db2.gz IWUAZYAQPBIUEH-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO CNC(=O)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567841548 373538286 /nfs/dbraw/zinc/53/82/86/373538286.db2.gz HOFUFIFHLJZOIE-UHFFFAOYSA-N 1 1 304.372 -2.432 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN(C)C(=O)COC)CC1 ZINC000567966276 373540355 /nfs/dbraw/zinc/54/03/55/373540355.db2.gz BWCRNEXUMZBSBC-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000568199501 373543072 /nfs/dbraw/zinc/54/30/72/373543072.db2.gz ALFAVTVIYUTPIE-LLVKDONJSA-N 1 1 317.411 -1.156 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000568048117 373543400 /nfs/dbraw/zinc/54/34/00/373543400.db2.gz CZKPFOAKDZIKKF-SNVBAGLBSA-N 1 1 304.416 -1.017 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000568048116 373543693 /nfs/dbraw/zinc/54/36/93/373543693.db2.gz CZKPFOAKDZIKKF-JTQLQIEISA-N 1 1 304.416 -1.017 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000568373620 373544552 /nfs/dbraw/zinc/54/45/52/373544552.db2.gz OVUIEYBKOBQGIJ-WCQYABFASA-N 1 1 309.414 -1.559 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000568373618 373544585 /nfs/dbraw/zinc/54/45/85/373544585.db2.gz OVUIEYBKOBQGIJ-AAEUAGOBSA-N 1 1 309.414 -1.559 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+](C)C1 ZINC000579721659 373594737 /nfs/dbraw/zinc/59/47/37/373594737.db2.gz AVGLCBDYQJXMBI-SECBINFHSA-N 1 1 319.383 -1.629 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+](C)C1 ZINC000579721659 373594746 /nfs/dbraw/zinc/59/47/46/373594746.db2.gz AVGLCBDYQJXMBI-SECBINFHSA-N 1 1 319.383 -1.629 20 0 DAADMO NC(=O)[C@]1([NH2+]CC(=O)NC(=O)NCc2ccco2)CCOC1 ZINC000569136776 373548242 /nfs/dbraw/zinc/54/82/42/373548242.db2.gz GJARHRSDOGVQCA-ZDUSSCGKSA-N 1 1 310.310 -1.161 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC(=O)N1CCNCC1 ZINC000573919190 373556582 /nfs/dbraw/zinc/55/65/82/373556582.db2.gz CKZRSCVWTKBQJP-LLVKDONJSA-N 1 1 311.386 -2.207 20 0 DAADMO CC(C)Cn1c(N)c(C(=O)Cn2nnnc2C[NH3+])c(=O)[nH]c1=O ZINC000576104980 373568245 /nfs/dbraw/zinc/56/82/45/373568245.db2.gz FHPKHZOIMPZSME-UHFFFAOYSA-N 1 1 322.329 -1.485 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000580626944 373573213 /nfs/dbraw/zinc/57/32/13/373573213.db2.gz QHSPWNKOSXCYQN-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577121632 373573619 /nfs/dbraw/zinc/57/36/19/373573619.db2.gz HCPZHJMLCZEHGL-OLZOCXBDSA-N 1 1 323.459 -1.061 20 0 DAADMO O=C(COC1C[NH2+]C1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000577176577 373573804 /nfs/dbraw/zinc/57/38/04/373573804.db2.gz TUUOFFFXKZZILY-LBPRGKRZSA-N 1 1 310.398 -1.355 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000577384045 373576833 /nfs/dbraw/zinc/57/68/33/373576833.db2.gz PPEAOCJQGDJTKY-QWRGUYRKSA-N 1 1 300.359 -1.839 20 0 DAADMO C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC000069574283 373625736 /nfs/dbraw/zinc/62/57/36/373625736.db2.gz JKBUGQWKFVDIDP-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC000616154421 373627681 /nfs/dbraw/zinc/62/76/81/373627681.db2.gz GDICUIRJYZCBGP-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC000616154421 373627683 /nfs/dbraw/zinc/62/76/83/373627683.db2.gz GDICUIRJYZCBGP-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630867 373659210 /nfs/dbraw/zinc/65/92/10/373659210.db2.gz ACUMFPBGKKAVIR-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627294547 373633352 /nfs/dbraw/zinc/63/33/52/373633352.db2.gz DAEYSKSNZSXZHT-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627302628 373638772 /nfs/dbraw/zinc/63/87/72/373638772.db2.gz TYCOVJLQHVJESK-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000621263872 373642880 /nfs/dbraw/zinc/64/28/80/373642880.db2.gz IKPRZGLNPCIIIW-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000621263872 373642889 /nfs/dbraw/zinc/64/28/89/373642889.db2.gz IKPRZGLNPCIIIW-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627308387 373643950 /nfs/dbraw/zinc/64/39/50/373643950.db2.gz OJMBEENARAWTHN-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627308387 373643961 /nfs/dbraw/zinc/64/39/61/373643961.db2.gz OJMBEENARAWTHN-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627308387 373643971 /nfs/dbraw/zinc/64/39/71/373643971.db2.gz OJMBEENARAWTHN-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC000627321067 373646814 /nfs/dbraw/zinc/64/68/14/373646814.db2.gz BNNPHZKFRGBXLJ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CCCNC(=O)CN1CC(=O)N(C)C1=O)CC[NH+](C)C ZINC000627321067 373646823 /nfs/dbraw/zinc/64/68/23/373646823.db2.gz BNNPHZKFRGBXLJ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839288 373648034 /nfs/dbraw/zinc/64/80/34/373648034.db2.gz QNJMUNDZEXXMMU-XJKCOSOUSA-N 1 1 323.441 -1.312 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839286 373649122 /nfs/dbraw/zinc/64/91/22/373649122.db2.gz QNJMUNDZEXXMMU-IOASZLSFSA-N 1 1 323.441 -1.312 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000622020572 373653247 /nfs/dbraw/zinc/65/32/47/373653247.db2.gz MUADSMLRGOCFKV-AGVGLQIMSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000622020572 373653255 /nfs/dbraw/zinc/65/32/55/373653255.db2.gz MUADSMLRGOCFKV-AGVGLQIMSA-N 1 1 305.400 -1.098 20 0 DAADMO CN1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])cn2)CC1 ZINC000580772233 373597699 /nfs/dbraw/zinc/59/76/99/373597699.db2.gz XQQPBJIEPHLZFO-UHFFFAOYSA-N 1 1 306.370 -1.153 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)C[C@@H]1O ZINC000581735318 373604999 /nfs/dbraw/zinc/60/49/99/373604999.db2.gz MXOOEOSMESWRHJ-QWRGUYRKSA-N 1 1 305.400 -2.150 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC000016389114 373606749 /nfs/dbraw/zinc/60/67/49/373606749.db2.gz OJJWJHSDPHNJPZ-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000627352585 373656202 /nfs/dbraw/zinc/65/62/02/373656202.db2.gz BGAYPOJGSQHZDW-AAEUAGOBSA-N 1 1 312.414 -1.063 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627349671 373656271 /nfs/dbraw/zinc/65/62/71/373656271.db2.gz VVLVGOCLHQWPQO-NTZNESFSSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627349671 373656280 /nfs/dbraw/zinc/65/62/80/373656280.db2.gz VVLVGOCLHQWPQO-NTZNESFSSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037808949 373607228 /nfs/dbraw/zinc/60/72/28/373607228.db2.gz AXZIKKDWFBTXMM-VIFPVBQESA-N 1 1 308.429 -1.401 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615535924 373608161 /nfs/dbraw/zinc/60/81/61/373608161.db2.gz QHRJXCCBWUEZQK-LLVKDONJSA-N 1 1 320.415 -1.637 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615479528 373608464 /nfs/dbraw/zinc/60/84/64/373608464.db2.gz GJAIJWRFOFBFIW-AAVRWANBSA-N 1 1 314.382 -1.638 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000615480612 373609025 /nfs/dbraw/zinc/60/90/25/373609025.db2.gz PGZFQSGJLBIWPW-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CCCn1c(N)c(C(=O)CN2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000023467756 373609228 /nfs/dbraw/zinc/60/92/28/373609228.db2.gz IJYKCKAVCBVGDU-UHFFFAOYSA-N 1 1 309.370 -1.041 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1nc2n(n1)CCCN2 ZINC000615657953 373610614 /nfs/dbraw/zinc/61/06/14/373610614.db2.gz ZUBXNGUTNDKHDY-NSHDSACASA-N 1 1 308.386 -1.072 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CCN2C(=O)CCC2=O)CC1 ZINC000058920898 373620816 /nfs/dbraw/zinc/62/08/16/373620816.db2.gz IWDVSIBWWMYHEZ-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CCN1C[C@H](S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000632214365 373709590 /nfs/dbraw/zinc/70/95/90/373709590.db2.gz YXPBEPLFYVUOAB-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632163007 373709794 /nfs/dbraw/zinc/70/97/94/373709794.db2.gz OWDMDHDVGNHCOJ-LLVKDONJSA-N 1 1 319.427 -1.065 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632226294 373712910 /nfs/dbraw/zinc/71/29/10/373712910.db2.gz OZCODNLYRHMVKW-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCNC(=O)Cn1cc(Nc2nc(N)[nH+]c(N)n2)cn1 ZINC000623995863 373659812 /nfs/dbraw/zinc/65/98/12/373659812.db2.gz KXEIIHFETKNGLC-UHFFFAOYSA-N 1 1 307.318 -2.179 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000623718366 373659832 /nfs/dbraw/zinc/65/98/32/373659832.db2.gz GDBVQGWOHUWBDZ-UHFFFAOYSA-N 1 1 319.431 -1.130 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCCCN1c1nc(N)nc(N)[nH+]1 ZINC000623852984 373661187 /nfs/dbraw/zinc/66/11/87/373661187.db2.gz IZXMZDPBHCHVAB-ZETCQYMHSA-N 1 1 301.376 -1.395 20 0 DAADMO CCS(=O)(=O)N1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623833553 373661689 /nfs/dbraw/zinc/66/16/89/373661689.db2.gz LETDAXCTLLCEFJ-UHFFFAOYSA-N 1 1 301.376 -1.655 20 0 DAADMO Cn1ccc(N2CCC[C@H](Nc3nc(N)nc(N)[nH+]3)C2=O)n1 ZINC000624002172 373662090 /nfs/dbraw/zinc/66/20/90/373662090.db2.gz XQUMPDSBTYDNEN-ZETCQYMHSA-N 1 1 303.330 -1.540 20 0 DAADMO Nc1nc(Nc2cnn(CCN3CCOCC3)c2)nc(N)[nH+]1 ZINC000623936890 373662158 /nfs/dbraw/zinc/66/21/58/373662158.db2.gz MZZJSUBTPCAQOB-UHFFFAOYSA-N 1 1 305.346 -1.609 20 0 DAADMO COc1ccnc(N2CCN(c3nc(N)nc(N)[nH+]3)CC2)n1 ZINC000623881014 373662419 /nfs/dbraw/zinc/66/24/19/373662419.db2.gz APUDGGAKGXBDOG-UHFFFAOYSA-N 1 1 303.330 -1.178 20 0 DAADMO Cn1ccnc1CN1CCC[C@@H](Nc2nc(N)nc(N)[nH+]2)C1=O ZINC000624095392 373664391 /nfs/dbraw/zinc/66/43/91/373664391.db2.gz BUBGUBGRCRYPBY-MRVPVSSYSA-N 1 1 317.357 -1.545 20 0 DAADMO C[C@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)C(=O)N1c1cnn(C)c1 ZINC000624006453 373665233 /nfs/dbraw/zinc/66/52/33/373665233.db2.gz XKJOUAUVPCLRMA-XPUUQOCRSA-N 1 1 303.330 -1.542 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624032181 373665479 /nfs/dbraw/zinc/66/54/79/373665479.db2.gz CCUAWJPHGKFUQO-RQJHMYQMSA-N 1 1 301.376 -1.752 20 0 DAADMO NC(=O)C[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CCO1 ZINC000624115079 373665593 /nfs/dbraw/zinc/66/55/93/373665593.db2.gz NPHPJRMEIQMGPK-GFCCVEGCSA-N 1 1 314.386 -1.006 20 0 DAADMO C[C@@H]1C[C@H](Nc2nc(N)nc(N)[nH+]2)C(=O)N1c1cnn(C)c1 ZINC000624006452 373665780 /nfs/dbraw/zinc/66/57/80/373665780.db2.gz XKJOUAUVPCLRMA-SVRRBLITSA-N 1 1 303.330 -1.542 20 0 DAADMO CS(=O)(=O)NCC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624210143 373666867 /nfs/dbraw/zinc/66/68/67/373666867.db2.gz CXSKVWFNKVPRQP-UHFFFAOYSA-N 1 1 301.376 -1.538 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCC[C@@H]1Nc1nc(N)nc(N)[nH+]1 ZINC000624187942 373667310 /nfs/dbraw/zinc/66/73/10/373667310.db2.gz QMBTXVFPPVERSW-RQJHMYQMSA-N 1 1 301.376 -1.752 20 0 DAADMO COc1ccccc1CCNC(=O)CNc1nc(N)nc(N)[nH+]1 ZINC000624180221 373667869 /nfs/dbraw/zinc/66/78/69/373667869.db2.gz CEQKJOCYTSXXMO-UHFFFAOYSA-N 1 1 317.353 -1.102 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2nc(N)nc(N)[nH+]2)C1 ZINC000624197949 373668451 /nfs/dbraw/zinc/66/84/51/373668451.db2.gz AOKWWBQPCQQLSZ-IUCAKERBSA-N 1 1 307.358 -1.087 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCC[C@H]1Nc1nc(N)nc(N)[nH+]1 ZINC000624187940 373668731 /nfs/dbraw/zinc/66/87/31/373668731.db2.gz QMBTXVFPPVERSW-NKWVEPMBSA-N 1 1 301.376 -1.752 20 0 DAADMO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627365688 373670417 /nfs/dbraw/zinc/67/04/17/373670417.db2.gz WTMWLVDOORPLJW-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627365688 373670427 /nfs/dbraw/zinc/67/04/27/373670427.db2.gz WTMWLVDOORPLJW-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO Nc1nc(N)[nH+]c(N[C@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000624534175 373671226 /nfs/dbraw/zinc/67/12/26/373671226.db2.gz VWLJCQZCEVTIBC-ZETCQYMHSA-N 1 1 313.329 -1.753 20 0 DAADMO COCCN(CCOC)S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000624402274 373671327 /nfs/dbraw/zinc/67/13/27/373671327.db2.gz RYQXRCWVWZURPL-NSHDSACASA-N 1 1 311.404 -1.596 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000627470551 373681984 /nfs/dbraw/zinc/68/19/84/373681984.db2.gz UMIYLHIBYJIOEK-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000627470549 373682242 /nfs/dbraw/zinc/68/22/42/373682242.db2.gz UMIYLHIBYJIOEK-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470473 373682389 /nfs/dbraw/zinc/68/23/89/373682389.db2.gz STSVUYKEGFHSFI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470473 373682392 /nfs/dbraw/zinc/68/23/92/373682392.db2.gz STSVUYKEGFHSFI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000627470548 373682629 /nfs/dbraw/zinc/68/26/29/373682629.db2.gz UMIYLHIBYJIOEK-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475677 373684394 /nfs/dbraw/zinc/68/43/94/373684394.db2.gz RYDBCKSIWMXRKY-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475677 373684404 /nfs/dbraw/zinc/68/44/04/373684404.db2.gz RYDBCKSIWMXRKY-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000627738229 373690536 /nfs/dbraw/zinc/69/05/36/373690536.db2.gz DSLIJQJXNHQMEA-QWRGUYRKSA-N 1 1 317.305 -1.230 20 0 DAADMO CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000631529971 373694710 /nfs/dbraw/zinc/69/47/10/373694710.db2.gz ROEBHZIGGCYTNI-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO Cn1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)c(=O)[nH]c1=O ZINC000631645418 373694986 /nfs/dbraw/zinc/69/49/86/373694986.db2.gz QDYMDHIDLMOIDR-UHFFFAOYSA-N 1 1 302.356 -1.188 20 0 DAADMO Cn1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c(=O)[nH]c1=O ZINC000631645418 373694993 /nfs/dbraw/zinc/69/49/93/373694993.db2.gz QDYMDHIDLMOIDR-UHFFFAOYSA-N 1 1 302.356 -1.188 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ncnn2C)CC1=O ZINC000631530219 373695668 /nfs/dbraw/zinc/69/56/68/373695668.db2.gz VQQHQSVCVFVSTF-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO O=S(=O)(C[C@@H]1CNCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631937748 373703948 /nfs/dbraw/zinc/70/39/48/373703948.db2.gz ZIFXGYDLGBVKCE-STQMWFEESA-N 1 1 318.443 -1.716 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1=O ZINC000631937220 373703969 /nfs/dbraw/zinc/70/39/69/373703969.db2.gz UCPHTDVBLBRINA-IJLUTSLNSA-N 1 1 317.411 -1.000 20 0 DAADMO O=S(=O)(C[C@@H]1CNCCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631937746 373704264 /nfs/dbraw/zinc/70/42/64/373704264.db2.gz ZIFXGYDLGBVKCE-OLZOCXBDSA-N 1 1 318.443 -1.716 20 0 DAADMO Cn1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(=O)[nH]c1=O ZINC000632412672 373719814 /nfs/dbraw/zinc/71/98/14/373719814.db2.gz IIRPBCKFZCYYBF-BDAKNGLRSA-N 1 1 314.367 -1.190 20 0 DAADMO O=C1C[C@H](S(=O)(=O)NC[C@@H]2COCC[NH2+]2)CN1C1CC1 ZINC000631954113 373704612 /nfs/dbraw/zinc/70/46/12/373704612.db2.gz BSGDIZRFNULKGF-KOLCDFICSA-N 1 1 303.384 -1.343 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000632537934 373720957 /nfs/dbraw/zinc/72/09/57/373720957.db2.gz AUBHGPZRWPDRKW-TUAOUCFPSA-N 1 1 317.411 -1.312 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000632537934 373720967 /nfs/dbraw/zinc/72/09/67/373720967.db2.gz AUBHGPZRWPDRKW-TUAOUCFPSA-N 1 1 317.411 -1.312 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N(C)C)CC1=O ZINC000632725628 373724639 /nfs/dbraw/zinc/72/46/39/373724639.db2.gz SGKCNRKYSXDRPT-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2cncn2)CC1=O ZINC000633105728 373731309 /nfs/dbraw/zinc/73/13/09/373731309.db2.gz NOOOWTIWCHMMHL-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000633471786 373733550 /nfs/dbraw/zinc/73/35/50/373733550.db2.gz JWGJURBJOUVCES-NSHDSACASA-N 1 1 322.431 -1.054 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@@]1(C)C(=O)NC2=O ZINC000633878789 373735652 /nfs/dbraw/zinc/73/56/52/373735652.db2.gz SWWUUNROBYJMNZ-KNXALSJPSA-N 1 1 320.393 -1.113 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000633875899 373735837 /nfs/dbraw/zinc/73/58/37/373735837.db2.gz DWYOGCHLZLGKFY-HUUCEWRRSA-N 1 1 308.382 -1.255 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001192473267 781963060 /nfs/dbraw/zinc/96/30/60/781963060.db2.gz VLBBVVIIRGQMEE-LBPRGKRZSA-N 1 1 319.365 -1.171 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001192473267 781963069 /nfs/dbraw/zinc/96/30/69/781963069.db2.gz VLBBVVIIRGQMEE-LBPRGKRZSA-N 1 1 319.365 -1.171 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467685 781963700 /nfs/dbraw/zinc/96/37/00/781963700.db2.gz JJDSOCMQVPOHNY-HBNTYKKESA-N 1 1 318.374 -2.133 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467685 781963708 /nfs/dbraw/zinc/96/37/08/781963708.db2.gz JJDSOCMQVPOHNY-HBNTYKKESA-N 1 1 318.374 -2.133 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001192451908 781965269 /nfs/dbraw/zinc/96/52/69/781965269.db2.gz CHBXVZIUXPBTRB-VXGBXAGGSA-N 1 1 309.370 -1.740 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476984 781966062 /nfs/dbraw/zinc/96/60/62/781966062.db2.gz QAGYSBHRHBFDDG-HBNTYKKESA-N 1 1 313.354 -1.086 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[NH+](CCO)CC1 ZINC000022944934 182343014 /nfs/dbraw/zinc/34/30/14/182343014.db2.gz ASFKZOIAPYSMLU-UHFFFAOYSA-N 1 1 300.403 -1.419 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192445513 781966106 /nfs/dbraw/zinc/96/61/06/781966106.db2.gz ZDIHXJSZXVKEGW-GHMZBOCLSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192445513 781966115 /nfs/dbraw/zinc/96/61/15/781966115.db2.gz ZDIHXJSZXVKEGW-GHMZBOCLSA-N 1 1 312.370 -2.094 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192444149 781966213 /nfs/dbraw/zinc/96/62/13/781966213.db2.gz IERMZKQAOUEGFV-IVZWLZJFSA-N 1 1 311.346 -2.504 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192444149 781966223 /nfs/dbraw/zinc/96/62/23/781966223.db2.gz IERMZKQAOUEGFV-IVZWLZJFSA-N 1 1 311.346 -2.504 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000444383058 545782066 /nfs/dbraw/zinc/78/20/66/545782066.db2.gz QGVRQHZPGUGPPJ-WZRBSPASSA-N 1 1 313.398 -1.213 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O ZINC001192452421 781966943 /nfs/dbraw/zinc/96/69/43/781966943.db2.gz GPEGCXPQJJFJGW-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000458068462 545786157 /nfs/dbraw/zinc/78/61/57/545786157.db2.gz KWYXGQMEYKTVNK-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001192463543 781968236 /nfs/dbraw/zinc/96/82/36/781968236.db2.gz VTZYEAFRPFIKIY-CHWSQXEVSA-N 1 1 323.397 -1.203 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001192463525 781968308 /nfs/dbraw/zinc/96/83/08/781968308.db2.gz UXQRTLNPPSSMQO-BBBLOLIVSA-N 1 1 321.324 -1.292 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001192463525 781968321 /nfs/dbraw/zinc/96/83/21/781968321.db2.gz UXQRTLNPPSSMQO-BBBLOLIVSA-N 1 1 321.324 -1.292 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001192551765 781968742 /nfs/dbraw/zinc/96/87/42/781968742.db2.gz RULVICASRXANEM-DTWKUNHWSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192551765 781968748 /nfs/dbraw/zinc/96/87/48/781968748.db2.gz RULVICASRXANEM-DTWKUNHWSA-N 1 1 306.388 -2.058 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192547536 781968769 /nfs/dbraw/zinc/96/87/69/781968769.db2.gz RJSXUICTAJHMQK-VXGBXAGGSA-N 1 1 313.358 -2.162 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001192551769 781968856 /nfs/dbraw/zinc/96/88/56/781968856.db2.gz RULVICASRXANEM-RKDXNWHRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192551769 781968863 /nfs/dbraw/zinc/96/88/63/781968863.db2.gz RULVICASRXANEM-RKDXNWHRSA-N 1 1 306.388 -2.058 20 0 DAADMO COC(=O)c1ncccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001192507781 781969202 /nfs/dbraw/zinc/96/92/02/781969202.db2.gz LXMASPIJMPUOHR-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001192513777 781970308 /nfs/dbraw/zinc/97/03/08/781970308.db2.gz RJYDOENROZYCHC-SNVBAGLBSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001192513777 781970317 /nfs/dbraw/zinc/97/03/17/781970317.db2.gz RJYDOENROZYCHC-SNVBAGLBSA-N 1 1 306.326 -1.182 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCOCC1 ZINC001192555052 781970667 /nfs/dbraw/zinc/97/06/67/781970667.db2.gz DXYAFEQHJOANBZ-MGPQQGTHSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCCOCC1 ZINC001192555052 781970674 /nfs/dbraw/zinc/97/06/74/781970674.db2.gz DXYAFEQHJOANBZ-MGPQQGTHSA-N 1 1 316.398 -1.027 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001192563941 781971098 /nfs/dbraw/zinc/97/10/98/781971098.db2.gz SGKOABMNLSYVFA-IJLUTSLNSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001192563941 781971090 /nfs/dbraw/zinc/97/10/90/781971090.db2.gz SGKOABMNLSYVFA-IJLUTSLNSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419349660 269709157 /nfs/dbraw/zinc/70/91/57/269709157.db2.gz DPGLDGOLRGJGAP-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)S(N)(=O)=O ZINC000343428960 269708458 /nfs/dbraw/zinc/70/84/58/269708458.db2.gz QZDMGBUVKOXICZ-AEJSXWLSSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)S(N)(=O)=O ZINC000343428960 269708460 /nfs/dbraw/zinc/70/84/60/269708460.db2.gz QZDMGBUVKOXICZ-AEJSXWLSSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C1 ZINC000408320061 269721905 /nfs/dbraw/zinc/72/19/05/269721905.db2.gz JPMFIUOGOWICHI-DCAQKATOSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@@H](C)C1 ZINC000408320061 269721906 /nfs/dbraw/zinc/72/19/06/269721906.db2.gz JPMFIUOGOWICHI-DCAQKATOSA-N 1 1 307.416 -1.162 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192580541 781971722 /nfs/dbraw/zinc/97/17/22/781971722.db2.gz IJUDSIWCFHDTHS-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192580541 781971732 /nfs/dbraw/zinc/97/17/32/781971732.db2.gz IJUDSIWCFHDTHS-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192591065 781972956 /nfs/dbraw/zinc/97/29/56/781972956.db2.gz OGJJCZFYAMAUQB-OUAUKWLOSA-N 1 1 301.343 -1.317 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192607454 781973373 /nfs/dbraw/zinc/97/33/73/781973373.db2.gz NOLUSKJAPDMRFS-VXGBXAGGSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192607454 781973379 /nfs/dbraw/zinc/97/33/79/781973379.db2.gz NOLUSKJAPDMRFS-VXGBXAGGSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192593689 781973501 /nfs/dbraw/zinc/97/35/01/781973501.db2.gz AOMBZEHUGMXPRL-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192591104 781973774 /nfs/dbraw/zinc/97/37/74/781973774.db2.gz OXJHCPROSPCBIP-GMTAPVOTSA-N 1 1 301.343 -1.319 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192593686 781974008 /nfs/dbraw/zinc/97/40/08/781974008.db2.gz AOMBZEHUGMXPRL-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)n1 ZINC001192657072 781974995 /nfs/dbraw/zinc/97/49/95/781974995.db2.gz IYIINDRSQLOYRO-MVWJERBFSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)n1 ZINC001192657072 781975001 /nfs/dbraw/zinc/97/50/01/781975001.db2.gz IYIINDRSQLOYRO-MVWJERBFSA-N 1 1 313.358 -1.920 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001192676914 781976664 /nfs/dbraw/zinc/97/66/64/781976664.db2.gz SSIJQNDPEWLQOR-GMTAPVOTSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001192674541 781976792 /nfs/dbraw/zinc/97/67/92/781976792.db2.gz BSDQZFIAJFBPSE-QJPTWQEYSA-N 1 1 314.386 -1.497 20 0 DAADMO C[C@@H](C(=O)NC1CC(NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000669924689 545790560 /nfs/dbraw/zinc/79/05/60/545790560.db2.gz TUJZPBODLVBOJK-UNXYVOJBSA-N 1 1 318.443 -1.181 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192687629 781976847 /nfs/dbraw/zinc/97/68/47/781976847.db2.gz JGDIVCPRXHKPRB-RYUDHWBXSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1)OC ZINC001192701965 781978364 /nfs/dbraw/zinc/97/83/64/781978364.db2.gz DVKCEKBQALMSRL-IJLUTSLNSA-N 1 1 316.402 -1.108 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001192770512 781979613 /nfs/dbraw/zinc/97/96/13/781979613.db2.gz LJZNKVZSFHKSPV-IJLUTSLNSA-N 1 1 312.370 -1.489 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192736028 781979997 /nfs/dbraw/zinc/97/99/97/781979997.db2.gz QTINELOCVFDRLT-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192736028 781980003 /nfs/dbraw/zinc/98/00/03/781980003.db2.gz QTINELOCVFDRLT-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001192784237 781980050 /nfs/dbraw/zinc/98/00/50/781980050.db2.gz HJKLWYADJHJJGW-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001192784237 781980056 /nfs/dbraw/zinc/98/00/56/781980056.db2.gz HJKLWYADJHJJGW-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)nn1 ZINC001192762319 781980365 /nfs/dbraw/zinc/98/03/65/781980365.db2.gz WBTIVMBZDUCMCM-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001192762319 781980373 /nfs/dbraw/zinc/98/03/73/781980373.db2.gz WBTIVMBZDUCMCM-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827262 781984009 /nfs/dbraw/zinc/98/40/09/781984009.db2.gz VIIQVJHEBPGJBJ-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192751689 781982020 /nfs/dbraw/zinc/98/20/20/781982020.db2.gz GQWGXVFCKDIXCM-CKYFFXLPSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192751689 781982028 /nfs/dbraw/zinc/98/20/28/781982028.db2.gz GQWGXVFCKDIXCM-CKYFFXLPSA-N 1 1 313.358 -1.920 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2O)[nH]1 ZINC001192751856 781982130 /nfs/dbraw/zinc/98/21/30/781982130.db2.gz LPIKKNCCLSTGRS-YUSALJHKSA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2O)n[nH]1 ZINC001192751856 781982138 /nfs/dbraw/zinc/98/21/38/781982138.db2.gz LPIKKNCCLSTGRS-YUSALJHKSA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2O)n[nH]1 ZINC001192751856 781982142 /nfs/dbraw/zinc/98/21/42/781982142.db2.gz LPIKKNCCLSTGRS-YUSALJHKSA-N 1 1 311.386 -1.022 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827262 781983999 /nfs/dbraw/zinc/98/39/99/781983999.db2.gz VIIQVJHEBPGJBJ-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836673 781983817 /nfs/dbraw/zinc/98/38/17/781983817.db2.gz BCCJRKVXQHWKLI-MWLCHTKSSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827252 781984210 /nfs/dbraw/zinc/98/42/10/781984210.db2.gz VIIQVJHEBPGJBJ-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827252 781984223 /nfs/dbraw/zinc/98/42/23/781984223.db2.gz VIIQVJHEBPGJBJ-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001192844966 781984961 /nfs/dbraw/zinc/98/49/61/781984961.db2.gz DETGHPLRANDZAT-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001192924180 781988758 /nfs/dbraw/zinc/98/87/58/781988758.db2.gz BNDHWISWDYDCGB-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001192932560 781990292 /nfs/dbraw/zinc/99/02/92/781990292.db2.gz XVZJZUDYRXSDGN-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001193005107 781990384 /nfs/dbraw/zinc/99/03/84/781990384.db2.gz GMRNTQVTWSWPHG-UPJWGTAASA-N 1 1 324.385 -1.351 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933479 781990542 /nfs/dbraw/zinc/99/05/42/781990542.db2.gz JAHILDYBYVCHHT-SFYZADRCSA-N 1 1 309.330 -1.466 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192986716 781991239 /nfs/dbraw/zinc/99/12/39/781991239.db2.gz HVFKMDVEHZWEHC-JGVFFNPUSA-N 1 1 310.314 -1.201 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193005626 781993509 /nfs/dbraw/zinc/99/35/09/781993509.db2.gz RUTFXIXBCZMQEZ-NXEZZACHSA-N 1 1 300.319 -3.157 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193005626 781993515 /nfs/dbraw/zinc/99/35/15/781993515.db2.gz RUTFXIXBCZMQEZ-NXEZZACHSA-N 1 1 300.319 -3.157 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977513 781993530 /nfs/dbraw/zinc/99/35/30/781993530.db2.gz LWFLKKRPXCRCET-SECBINFHSA-N 1 1 317.371 -1.235 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001192989444 781991384 /nfs/dbraw/zinc/99/13/84/781991384.db2.gz WGGUHVXUHXGTEW-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001192989444 781991388 /nfs/dbraw/zinc/99/13/88/781991388.db2.gz WGGUHVXUHXGTEW-SECBINFHSA-N 1 1 306.326 -1.182 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933315 781991664 /nfs/dbraw/zinc/99/16/64/781991664.db2.gz HPOCREGWXJVWNQ-RKDXNWHRSA-N 1 1 323.357 -1.205 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933313 781991810 /nfs/dbraw/zinc/99/18/10/781991810.db2.gz HPOCREGWXJVWNQ-DTWKUNHWSA-N 1 1 323.357 -1.205 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977513 781993538 /nfs/dbraw/zinc/99/35/38/781993538.db2.gz LWFLKKRPXCRCET-SECBINFHSA-N 1 1 317.371 -1.235 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977514 781992099 /nfs/dbraw/zinc/99/20/99/781992099.db2.gz LWFLKKRPXCRCET-VIFPVBQESA-N 1 1 317.371 -1.235 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977514 781992107 /nfs/dbraw/zinc/99/21/07/781992107.db2.gz LWFLKKRPXCRCET-VIFPVBQESA-N 1 1 317.371 -1.235 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027329 781992921 /nfs/dbraw/zinc/99/29/21/781992921.db2.gz PPFMIDYELAXUSK-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193046957 781993114 /nfs/dbraw/zinc/99/31/14/781993114.db2.gz APQFIBPLUGTQEJ-JTQLQIEISA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193046957 781993123 /nfs/dbraw/zinc/99/31/23/781993123.db2.gz APQFIBPLUGTQEJ-JTQLQIEISA-N 1 1 322.369 -1.060 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001193076716 781993995 /nfs/dbraw/zinc/99/39/95/781993995.db2.gz ZANMSVNNHAKCTP-NQBHXWOUSA-N 1 1 324.381 -1.389 20 0 DAADMO CNc1nc(SC)ncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001193119515 781994368 /nfs/dbraw/zinc/99/43/68/781994368.db2.gz LHIXISUDJPDCAF-WEDXCCLWSA-N 1 1 324.414 -1.627 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193174446 781994670 /nfs/dbraw/zinc/99/46/70/781994670.db2.gz NQHJJVYNBVQTKV-YUSALJHKSA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193174446 781994681 /nfs/dbraw/zinc/99/46/81/781994681.db2.gz NQHJJVYNBVQTKV-YUSALJHKSA-N 1 1 311.338 -1.449 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193085819 781994916 /nfs/dbraw/zinc/99/49/16/781994916.db2.gz QQIZSBPABAAZIX-FDYHWXHSSA-N 1 1 312.414 -1.376 20 0 DAADMO Cn1cnn(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1=O ZINC000272201387 130007426 /nfs/dbraw/zinc/00/74/26/130007426.db2.gz DEFVHZPAHZIROU-UHFFFAOYSA-N 1 1 310.358 -2.138 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000346561864 545797832 /nfs/dbraw/zinc/79/78/32/545797832.db2.gz BTUPMNYHLUSBMA-QVHKTLOISA-N 1 1 315.414 -1.231 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000274487013 130240204 /nfs/dbraw/zinc/24/02/04/130240204.db2.gz BEEXTMVTFSESKQ-UHFFFAOYSA-N 1 1 318.399 -1.284 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000274492730 130241706 /nfs/dbraw/zinc/24/17/06/130241706.db2.gz CEWVYIKXZOIUMB-UHFFFAOYSA-N 1 1 316.383 -1.227 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C1 ZINC000275237921 130299149 /nfs/dbraw/zinc/29/91/49/130299149.db2.gz NSEJALZRTLSBRO-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO COC(=O)c1cn(CC(=O)NCC[N@H+]2CCCOCC2)nn1 ZINC000275724786 130370290 /nfs/dbraw/zinc/37/02/90/130370290.db2.gz AKMVCTKCYDLTJF-UHFFFAOYSA-N 1 1 311.342 -1.097 20 0 DAADMO CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001193109181 781995051 /nfs/dbraw/zinc/99/50/51/781995051.db2.gz FGNAISAMUJLVNH-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001193109181 781995059 /nfs/dbraw/zinc/99/50/59/781995059.db2.gz FGNAISAMUJLVNH-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284699253 131104840 /nfs/dbraw/zinc/10/48/40/131104840.db2.gz ZTNVUIZWKFCDTC-CYBMUJFWSA-N 1 1 310.358 -1.049 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284699253 131104841 /nfs/dbraw/zinc/10/48/41/131104841.db2.gz ZTNVUIZWKFCDTC-CYBMUJFWSA-N 1 1 310.358 -1.049 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000340194914 131125743 /nfs/dbraw/zinc/12/57/43/131125743.db2.gz QABXBAMYVOHLRC-JTQLQIEISA-N 1 1 305.375 -1.230 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000340194914 131125744 /nfs/dbraw/zinc/12/57/44/131125744.db2.gz QABXBAMYVOHLRC-JTQLQIEISA-N 1 1 305.375 -1.230 20 0 DAADMO OC[C@@H](O)CNc1nc(NC[C@H](O)CO)c2c([nH+]1)CCS2 ZINC000286233295 131225718 /nfs/dbraw/zinc/22/57/18/131225718.db2.gz OHCBENVTDDSHHM-YUMQZZPRSA-N 1 1 316.383 -1.345 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340231129 131237048 /nfs/dbraw/zinc/23/70/48/131237048.db2.gz QGQJXUHBZIOSRG-NSHDSACASA-N 1 1 314.386 -1.894 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286480448 131237584 /nfs/dbraw/zinc/23/75/84/131237584.db2.gz UPFZUWOTJLJJBO-STQMWFEESA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286480448 131237587 /nfs/dbraw/zinc/23/75/87/131237587.db2.gz UPFZUWOTJLJJBO-STQMWFEESA-N 1 1 307.350 -1.150 20 0 DAADMO CC[C@H](C)[N@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000287570086 131288511 /nfs/dbraw/zinc/28/85/11/131288511.db2.gz XJHNIMWFFJKJCG-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO CC[C@H](C)[N@@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000287570086 131288513 /nfs/dbraw/zinc/28/85/13/131288513.db2.gz XJHNIMWFFJKJCG-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289349346 131376825 /nfs/dbraw/zinc/37/68/25/131376825.db2.gz FYSIQUOXNGRUNY-VIFPVBQESA-N 1 1 311.342 -1.043 20 0 DAADMO C[N@H+]([C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@@H]1CCNC1=O ZINC001193120908 781995318 /nfs/dbraw/zinc/99/53/18/781995318.db2.gz ACWOAKFADTXKFQ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@@H]1CCNC1=O ZINC001193120908 781995325 /nfs/dbraw/zinc/99/53/25/781995325.db2.gz ACWOAKFADTXKFQ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H]1C[C@@H](O)C[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000649762457 545806184 /nfs/dbraw/zinc/80/61/84/545806184.db2.gz KZFSMDYKAHJNIU-GHMZBOCLSA-N 1 1 318.399 -1.220 20 0 DAADMO COC[C@H]1C[C@@H](O)C[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000649762457 545806191 /nfs/dbraw/zinc/80/61/91/545806191.db2.gz KZFSMDYKAHJNIU-GHMZBOCLSA-N 1 1 318.399 -1.220 20 0 DAADMO Cn1c(N)c(C(=O)CN2CCC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000298676545 132073282 /nfs/dbraw/zinc/07/32/82/132073282.db2.gz RTFCHGNAGAQAEA-UHFFFAOYSA-N 1 1 309.370 -1.514 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000568643257 545808061 /nfs/dbraw/zinc/80/80/61/545808061.db2.gz JCKBNLVKUXWQRR-JTQLQIEISA-N 1 1 324.472 -1.064 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000121826520 132159543 /nfs/dbraw/zinc/15/95/43/132159543.db2.gz NZVOEKWAFCBCTH-LBPRGKRZSA-N 1 1 320.459 -1.123 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340727509 132167517 /nfs/dbraw/zinc/16/75/17/132167517.db2.gz IVSCAIKBKBKQBH-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193165950 781996423 /nfs/dbraw/zinc/99/64/23/781996423.db2.gz HHLZXPBYAQTJFK-HBNTYKKESA-N 1 1 303.359 -2.055 20 0 DAADMO C[C@H]1OCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1C ZINC000656072360 545812738 /nfs/dbraw/zinc/81/27/38/545812738.db2.gz LXVXCAQFLUBGKT-FVCCEPFGSA-N 1 1 311.382 -1.100 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085728 545815221 /nfs/dbraw/zinc/81/52/21/545815221.db2.gz MFAKZLFFLCNQIK-GARJFASQSA-N 1 1 310.354 -2.090 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(=O)N1 ZINC000656090052 545815426 /nfs/dbraw/zinc/81/54/26/545815426.db2.gz XJMJUPPMBADCPJ-GARJFASQSA-N 1 1 310.354 -2.389 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656094792 545815907 /nfs/dbraw/zinc/81/59/07/545815907.db2.gz XJNZLOMOVSJVAM-KGYLQXTDSA-N 1 1 311.382 -1.364 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193167280 781997524 /nfs/dbraw/zinc/99/75/24/781997524.db2.gz SMHKOTRFBXVRQJ-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193167300 781997611 /nfs/dbraw/zinc/99/76/11/781997611.db2.gz SRXZZKXSRUTVLB-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001193145478 781997754 /nfs/dbraw/zinc/99/77/54/781997754.db2.gz KERXNTAILYINQF-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001193145478 781997764 /nfs/dbraw/zinc/99/77/64/781997764.db2.gz KERXNTAILYINQF-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)[C@@H]1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000359642838 545827058 /nfs/dbraw/zinc/82/70/58/545827058.db2.gz YSZLBKJPIZFZGB-CRWXNKLISA-N 1 1 315.414 -1.097 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193148300 781998084 /nfs/dbraw/zinc/99/80/84/781998084.db2.gz PTLKUAVVNKJSQJ-MVWJERBFSA-N 1 1 319.427 -1.115 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193191097 781998382 /nfs/dbraw/zinc/99/83/82/781998382.db2.gz MSMOPUVWLIWVAW-IJLUTSLNSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193191097 781998390 /nfs/dbraw/zinc/99/83/90/781998390.db2.gz MSMOPUVWLIWVAW-IJLUTSLNSA-N 1 1 317.386 -1.929 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000666098386 545830542 /nfs/dbraw/zinc/83/05/42/545830542.db2.gz ULUAEORELXGORG-RCWTZXSCSA-N 1 1 321.399 -1.885 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000666098385 545830949 /nfs/dbraw/zinc/83/09/49/545830949.db2.gz ULUAEORELXGORG-NAKRPEOUSA-N 1 1 321.399 -1.885 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)[nH]2)[C@H]2NCN[C@H]21 ZINC001193342479 782000013 /nfs/dbraw/zinc/00/00/13/782000013.db2.gz QYYJTTJMPFRCHR-DJLDLDEBSA-N 1 1 315.175 -1.090 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)N1CCOCC1 ZINC000487495578 545863273 /nfs/dbraw/zinc/86/32/73/545863273.db2.gz GRQBRZRGFKVTSY-UHFFFAOYSA-N 1 1 301.387 -1.528 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)N1CCOCC1 ZINC000487495578 545863278 /nfs/dbraw/zinc/86/32/78/545863278.db2.gz GRQBRZRGFKVTSY-UHFFFAOYSA-N 1 1 301.387 -1.528 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001193446938 782002055 /nfs/dbraw/zinc/00/20/55/782002055.db2.gz DLGBPALQAOFJEK-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001193446928 782002910 /nfs/dbraw/zinc/00/29/10/782002910.db2.gz CVUQSXGOJGFZBT-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193377315 782003535 /nfs/dbraw/zinc/00/35/35/782003535.db2.gz QOJZLGXONDRTEN-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccns2)C1 ZINC001193377315 782003545 /nfs/dbraw/zinc/00/35/45/782003545.db2.gz QOJZLGXONDRTEN-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193464695 782003772 /nfs/dbraw/zinc/00/37/72/782003772.db2.gz FQHBAGBXWYTAIJ-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193464777 782004125 /nfs/dbraw/zinc/00/41/25/782004125.db2.gz HAEVPAWYKBIKDV-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465041 782004207 /nfs/dbraw/zinc/00/42/07/782004207.db2.gz JZANTBYONFXBCX-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001193417159 782004809 /nfs/dbraw/zinc/00/48/09/782004809.db2.gz ZGJCMQAOKRKFKM-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193464696 782005225 /nfs/dbraw/zinc/00/52/25/782005225.db2.gz FQHBAGBXWYTAIJ-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193465204 782005419 /nfs/dbraw/zinc/00/54/19/782005419.db2.gz KYWLJCMQSLRYMB-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001193536220 782006160 /nfs/dbraw/zinc/00/61/60/782006160.db2.gz WINSHMWQFLDEKD-QJPTWQEYSA-N 1 1 314.386 -1.354 20 0 DAADMO C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487507 782008015 /nfs/dbraw/zinc/00/80/15/782008015.db2.gz AHLIJIQYBJCZKG-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001193455383 782008133 /nfs/dbraw/zinc/00/81/33/782008133.db2.gz BCFFVSVRMAQFJJ-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O ZINC001193545549 782009170 /nfs/dbraw/zinc/00/91/70/782009170.db2.gz YPDMRXXLSKZTQF-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1O ZINC001193527630 782009187 /nfs/dbraw/zinc/00/91/87/782009187.db2.gz JQSDQIDFTFXLOU-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1O ZINC001193527630 782009191 /nfs/dbraw/zinc/00/91/91/782009191.db2.gz JQSDQIDFTFXLOU-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@H]1O ZINC001193545554 782009365 /nfs/dbraw/zinc/00/93/65/782009365.db2.gz YTVJIFZTEUACTC-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001193545494 782010177 /nfs/dbraw/zinc/01/01/77/782010177.db2.gz XOBDRZFPSOVLGR-NXEZZACHSA-N 1 1 311.346 -2.632 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001193545494 782010183 /nfs/dbraw/zinc/01/01/83/782010183.db2.gz XOBDRZFPSOVLGR-NXEZZACHSA-N 1 1 311.346 -2.632 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365931089 292371073 /nfs/dbraw/zinc/37/10/73/292371073.db2.gz XEPYPPTWWDHSOR-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295127 409328784 /nfs/dbraw/zinc/32/87/84/409328784.db2.gz SXMVNQAMHWKSEJ-WOSRLPQWSA-N 1 1 321.377 -1.123 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447391231 409321903 /nfs/dbraw/zinc/32/19/03/409321903.db2.gz JCDKAAZLZVGRJZ-GHMZBOCLSA-N 1 1 303.359 -1.212 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447391231 409321907 /nfs/dbraw/zinc/32/19/07/409321907.db2.gz JCDKAAZLZVGRJZ-GHMZBOCLSA-N 1 1 303.359 -1.212 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)nn1 ZINC000332425371 409322198 /nfs/dbraw/zinc/32/21/98/409322198.db2.gz UAZWGHZFKLMENB-SECBINFHSA-N 1 1 317.371 -1.139 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)nn1 ZINC000332425371 409322205 /nfs/dbraw/zinc/32/22/05/409322205.db2.gz UAZWGHZFKLMENB-SECBINFHSA-N 1 1 317.371 -1.139 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000646909588 409324499 /nfs/dbraw/zinc/32/44/99/409324499.db2.gz RTQOEOLSXBQOBQ-SNVBAGLBSA-N 1 1 322.369 -1.548 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000647067232 409325522 /nfs/dbraw/zinc/32/55/22/409325522.db2.gz TVSCTHPMXKWGKV-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000647067232 409325525 /nfs/dbraw/zinc/32/55/25/409325525.db2.gz TVSCTHPMXKWGKV-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000646990370 409326185 /nfs/dbraw/zinc/32/61/85/409326185.db2.gz ASLVEAATSQCCDS-NSHDSACASA-N 1 1 314.386 -1.283 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000647048710 409326579 /nfs/dbraw/zinc/32/65/79/409326579.db2.gz YLOXEPJFNQHHLH-NSHDSACASA-N 1 1 314.386 -1.283 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363370626 409326866 /nfs/dbraw/zinc/32/68/66/409326866.db2.gz MXJBMFOQDRXUCO-GARJFASQSA-N 1 1 305.400 -1.097 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000647067104 409326923 /nfs/dbraw/zinc/32/69/23/409326923.db2.gz LMHNDRMWVKABJR-AXFHLTTASA-N 1 1 312.370 -1.532 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000647067104 409326928 /nfs/dbraw/zinc/32/69/28/409326928.db2.gz LMHNDRMWVKABJR-AXFHLTTASA-N 1 1 312.370 -1.532 20 0 DAADMO O=C(c1cocn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092182 409327889 /nfs/dbraw/zinc/32/78/89/409327889.db2.gz QFKYEQGYFDBPTJ-UHFFFAOYSA-N 1 1 300.340 -1.266 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647679196 409362546 /nfs/dbraw/zinc/36/25/46/409362546.db2.gz SBFJOBIVNCWYOB-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000651273634 409364124 /nfs/dbraw/zinc/36/41/24/409364124.db2.gz TUGZORSAJWEHML-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651261688 409364184 /nfs/dbraw/zinc/36/41/84/409364184.db2.gz UMWWQXWVLMFMFL-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651304085 409364630 /nfs/dbraw/zinc/36/46/30/409364630.db2.gz YQGXVXOHCVURNG-UHFFFAOYSA-N 1 1 310.358 -1.442 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000651271168 409364724 /nfs/dbraw/zinc/36/47/24/409364724.db2.gz RXBVPRKJAXRWOC-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO [NH3+][C@H]1CCCCN(CC(=O)NCC(=O)N2CCNCC2)C1=O ZINC000647689838 409370123 /nfs/dbraw/zinc/37/01/23/409370123.db2.gz BNNYSBULKWFXDH-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651544570 409370213 /nfs/dbraw/zinc/37/02/13/409370213.db2.gz DKFFVNPHUBHXKV-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000408098221 409371507 /nfs/dbraw/zinc/37/15/07/409371507.db2.gz CCAYCQSXQYMHPY-LLVKDONJSA-N 1 1 305.400 -1.012 20 0 DAADMO C[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000408145529 409373017 /nfs/dbraw/zinc/37/30/17/409373017.db2.gz STJHCVZXCWZVQE-NSHDSACASA-N 1 1 319.431 -2.030 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000651736017 409376884 /nfs/dbraw/zinc/37/68/84/409376884.db2.gz KOFNNASHVSPBPF-CQSZACIVSA-N 1 1 309.370 -1.436 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651842150 409379042 /nfs/dbraw/zinc/37/90/42/409379042.db2.gz KWMTVZFVNBENQR-WDEREUQCSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651842149 409379939 /nfs/dbraw/zinc/37/99/39/409379939.db2.gz KWMTVZFVNBENQR-QWRGUYRKSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651927811 409380439 /nfs/dbraw/zinc/38/04/39/409380439.db2.gz JILJJBSYQGKSOW-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651927811 409380445 /nfs/dbraw/zinc/38/04/45/409380445.db2.gz JILJJBSYQGKSOW-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651842147 409381019 /nfs/dbraw/zinc/38/10/19/409381019.db2.gz KWMTVZFVNBENQR-GHMZBOCLSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CCS(=O)(=O)N1 ZINC000652390418 409383128 /nfs/dbraw/zinc/38/31/28/409383128.db2.gz OXNSUURZAVDIGI-GHMZBOCLSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCS(=O)(=O)N1 ZINC000652390421 409384136 /nfs/dbraw/zinc/38/41/36/409384136.db2.gz OXNSUURZAVDIGI-WDEREUQCSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C[N@@H+]1CCO ZINC000652458769 409386542 /nfs/dbraw/zinc/38/65/42/409386542.db2.gz ZGSRYOLKYIDJIP-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C[N@H+]1CCO ZINC000652458769 409386551 /nfs/dbraw/zinc/38/65/51/409386551.db2.gz ZGSRYOLKYIDJIP-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000652487985 409386632 /nfs/dbraw/zinc/38/66/32/409386632.db2.gz ZIKRGYZLGWGNLQ-STQMWFEESA-N 1 1 315.414 -1.108 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000339125462 409392331 /nfs/dbraw/zinc/39/23/31/409392331.db2.gz BCAQBEVTFKQUEN-IUCAKERBSA-N 1 1 321.403 -1.664 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000339125462 409392339 /nfs/dbraw/zinc/39/23/39/409392339.db2.gz BCAQBEVTFKQUEN-IUCAKERBSA-N 1 1 321.403 -1.664 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CC(N)=O)CC1=O ZINC000644894041 409392709 /nfs/dbraw/zinc/39/27/09/409392709.db2.gz DASMTPQOFPOIRQ-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@@H](C)CO ZINC000410864201 409396062 /nfs/dbraw/zinc/39/60/62/409396062.db2.gz KRCCQVSKYMOBDP-QNWHQSFQSA-N 1 1 313.398 -1.261 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272618894 409401204 /nfs/dbraw/zinc/40/12/04/409401204.db2.gz VXUIQDNXACDQMC-NSHDSACASA-N 1 1 323.401 -1.316 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)CC[N@@H+](C)C1 ZINC000413372266 409397641 /nfs/dbraw/zinc/39/76/41/409397641.db2.gz XNRCECNHVHHQIR-MNOVXSKESA-N 1 1 312.370 -1.037 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)NCCS(N)(=O)=O)CC1(C)C ZINC000558568338 409331248 /nfs/dbraw/zinc/33/12/48/409331248.db2.gz LOQWBMXHGNLSOU-UHFFFAOYSA-N 1 1 321.447 -1.400 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](CC(N)=O)C3)C[C@@H]21 ZINC000625777975 409333299 /nfs/dbraw/zinc/33/32/99/409333299.db2.gz CVPMFTZWWXOXBF-WOPDTQHZSA-N 1 1 324.381 -1.748 20 0 DAADMO O=C(C(=O)N1CCO[C@@H](CO)C1)N1CC[NH+](C2CCC2)CC1 ZINC000518484489 409334329 /nfs/dbraw/zinc/33/43/29/409334329.db2.gz OROLIJJABHFXPT-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000426770828 409334612 /nfs/dbraw/zinc/33/46/12/409334612.db2.gz WIPDLLLUFCVNNN-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1(C)C ZINC000651993794 409339583 /nfs/dbraw/zinc/33/95/83/409339583.db2.gz CLUQSMWZGAHVDU-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO Cn1cc(C[C@@H](O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000526047926 409339663 /nfs/dbraw/zinc/33/96/63/409339663.db2.gz SOMKYYOZCIRHLS-CYBMUJFWSA-N 1 1 323.397 -1.396 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000153567959 409340364 /nfs/dbraw/zinc/34/03/64/409340364.db2.gz MZLPGKFIBFHRRN-HNNXBMFYSA-N 1 1 322.365 -1.039 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000153567959 409340368 /nfs/dbraw/zinc/34/03/68/409340368.db2.gz MZLPGKFIBFHRRN-HNNXBMFYSA-N 1 1 322.365 -1.039 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000358553984 409340905 /nfs/dbraw/zinc/34/09/05/409340905.db2.gz AOPLABAZOIVMFE-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000247176987 409342473 /nfs/dbraw/zinc/34/24/73/409342473.db2.gz RQMZVCIJCNHUDA-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000247176987 409342479 /nfs/dbraw/zinc/34/24/79/409342479.db2.gz RQMZVCIJCNHUDA-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](CO)C1 ZINC000121594140 409343780 /nfs/dbraw/zinc/34/37/80/409343780.db2.gz RPJAWHKTPAIEQE-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](CO)C1 ZINC000121594140 409343784 /nfs/dbraw/zinc/34/37/84/409343784.db2.gz RPJAWHKTPAIEQE-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO Cc1nn(CC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c(=O)n1C ZINC000655459860 409346024 /nfs/dbraw/zinc/34/60/24/409346024.db2.gz CYVFJIPCPSQQRD-LLVKDONJSA-N 1 1 319.369 -1.203 20 0 DAADMO COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2CCNC2=O)CC1 ZINC000661391245 409348376 /nfs/dbraw/zinc/34/83/76/409348376.db2.gz TXEIGJSMMRAEAT-GFCCVEGCSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000444704728 409348928 /nfs/dbraw/zinc/34/89/28/409348928.db2.gz UQTWSZKBCBOBNO-RYUDHWBXSA-N 1 1 314.386 -2.744 20 0 DAADMO CN1CC[C@@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)S1(=O)=O ZINC000648262729 409352387 /nfs/dbraw/zinc/35/23/87/409352387.db2.gz AIRSMCXUWTZSKM-JTQLQIEISA-N 1 1 315.399 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648290512 409352662 /nfs/dbraw/zinc/35/26/62/409352662.db2.gz BBOFXBRPWLKWNU-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648290512 409352668 /nfs/dbraw/zinc/35/26/68/409352668.db2.gz BBOFXBRPWLKWNU-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000407947543 409352729 /nfs/dbraw/zinc/35/27/29/409352729.db2.gz GACBMNOAIBQLDH-JTQLQIEISA-N 1 1 311.429 -1.225 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000407947543 409352734 /nfs/dbraw/zinc/35/27/34/409352734.db2.gz GACBMNOAIBQLDH-JTQLQIEISA-N 1 1 311.429 -1.225 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407951083 409353577 /nfs/dbraw/zinc/35/35/77/409353577.db2.gz PBONDCVSNWMHQF-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407951083 409353580 /nfs/dbraw/zinc/35/35/80/409353580.db2.gz PBONDCVSNWMHQF-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](O)C[C@H]2CO)CC1 ZINC000361356044 409354413 /nfs/dbraw/zinc/35/44/13/409354413.db2.gz OXOFSUBNVCDDCF-RYUDHWBXSA-N 1 1 314.386 -1.712 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1O ZINC000351820588 409458879 /nfs/dbraw/zinc/45/88/79/409458879.db2.gz FIHRZRXSWOBTNK-ZJUUUORDSA-N 1 1 307.354 -1.254 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000351637465 409459168 /nfs/dbraw/zinc/45/91/68/409459168.db2.gz VLWNCAMFQVWRIK-GXFFZTMASA-N 1 1 301.343 -1.778 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(C)C ZINC000351637465 409459171 /nfs/dbraw/zinc/45/91/71/409459171.db2.gz VLWNCAMFQVWRIK-GXFFZTMASA-N 1 1 301.343 -1.778 20 0 DAADMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351615420 409459610 /nfs/dbraw/zinc/45/96/10/409459610.db2.gz MPHJSZAXJPWQOR-TVQRCGJNSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)N1CCNCC1=O)C[NH+]1CCOCC1 ZINC000638091184 409403704 /nfs/dbraw/zinc/40/37/04/409403704.db2.gz REIPVCFBTVNBPM-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000653391616 409406584 /nfs/dbraw/zinc/40/65/84/409406584.db2.gz GURNLNNWSRYPIX-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000659525686 409406942 /nfs/dbraw/zinc/40/69/42/409406942.db2.gz UEECJDPJTDACDT-KGLIPLIRSA-N 1 1 322.409 -1.164 20 0 DAADMO C[C@H]([N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)O ZINC000295067246 409407584 /nfs/dbraw/zinc/40/75/84/409407584.db2.gz CHQBDHSGQZMWSX-QMMMGPOBSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H]([N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)O ZINC000295067246 409407587 /nfs/dbraw/zinc/40/75/87/409407587.db2.gz CHQBDHSGQZMWSX-QMMMGPOBSA-N 1 1 312.370 -1.060 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452569844 409407689 /nfs/dbraw/zinc/40/76/89/409407689.db2.gz FLLWSAJSKUCIOW-JTQLQIEISA-N 1 1 304.416 -1.017 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC(CO)CO ZINC000341083187 409410344 /nfs/dbraw/zinc/41/03/44/409410344.db2.gz KJCFIUKFUNHDQR-GFCCVEGCSA-N 1 1 316.402 -1.419 20 0 DAADMO CCCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341455162 409413071 /nfs/dbraw/zinc/41/30/71/409413071.db2.gz DLTHZIASUXFAAL-VXGBXAGGSA-N 1 1 319.427 -1.400 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341477882 409413432 /nfs/dbraw/zinc/41/34/32/409413432.db2.gz PYULBZRJXXMBBW-NWDGAFQWSA-N 1 1 319.427 -1.402 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2nnc[nH]2)CC1=O ZINC000425321780 409416071 /nfs/dbraw/zinc/41/60/71/409416071.db2.gz RXQIPVHELKVSMA-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ncn[nH]2)CC1=O ZINC000425321780 409416076 /nfs/dbraw/zinc/41/60/76/409416076.db2.gz RXQIPVHELKVSMA-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ncn[nH]2)CC1=O ZINC000425321780 409416082 /nfs/dbraw/zinc/41/60/82/409416082.db2.gz RXQIPVHELKVSMA-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2nc[nH]n2)CC1=O ZINC000425321780 409416086 /nfs/dbraw/zinc/41/60/86/409416086.db2.gz RXQIPVHELKVSMA-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2nc[nH]n2)CC1=O ZINC000425321780 409416093 /nfs/dbraw/zinc/41/60/93/409416093.db2.gz RXQIPVHELKVSMA-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2nnc[nH]2)CC1=O ZINC000425321779 409416765 /nfs/dbraw/zinc/41/67/65/409416765.db2.gz RXQIPVHELKVSMA-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ncn[nH]2)CC1=O ZINC000425321779 409416770 /nfs/dbraw/zinc/41/67/70/409416770.db2.gz RXQIPVHELKVSMA-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ncn[nH]2)CC1=O ZINC000425321779 409416773 /nfs/dbraw/zinc/41/67/73/409416773.db2.gz RXQIPVHELKVSMA-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2nc[nH]n2)CC1=O ZINC000425321779 409416778 /nfs/dbraw/zinc/41/67/78/409416778.db2.gz RXQIPVHELKVSMA-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2nc[nH]n2)CC1=O ZINC000425321779 409416784 /nfs/dbraw/zinc/41/67/84/409416784.db2.gz RXQIPVHELKVSMA-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000330369392 409416898 /nfs/dbraw/zinc/41/68/98/409416898.db2.gz WXRWLRKMADUESL-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330504490 409418028 /nfs/dbraw/zinc/41/80/28/409418028.db2.gz DWUCAVRXQGGBLB-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330683147 409419673 /nfs/dbraw/zinc/41/96/73/409419673.db2.gz ILWCGNOUHKWZNT-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330704820 409421179 /nfs/dbraw/zinc/42/11/79/409421179.db2.gz JWNXBFUOJAFFSN-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000330649409 409421258 /nfs/dbraw/zinc/42/12/58/409421258.db2.gz JILNRDBSFNAGIP-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[NH+]1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000330544942 409422047 /nfs/dbraw/zinc/42/20/47/409422047.db2.gz YIXKRDXXXVVUCV-UHFFFAOYSA-N 1 1 305.400 -1.188 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000331018394 409424215 /nfs/dbraw/zinc/42/42/15/409424215.db2.gz MYPSYSMHDCMRMM-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CS(=O)(=O)N(C)C)n1C ZINC000330797172 409424248 /nfs/dbraw/zinc/42/42/48/409424248.db2.gz BWUSXECCDMXGAZ-UHFFFAOYSA-N 1 1 303.388 -1.006 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000330807418 409424653 /nfs/dbraw/zinc/42/46/53/409424653.db2.gz HZBJSJJMQWLYNF-LBPRGKRZSA-N 1 1 323.415 -1.923 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000330799143 409424954 /nfs/dbraw/zinc/42/49/54/409424954.db2.gz YOZDWNILIUQZJY-NSHDSACASA-N 1 1 305.400 -1.012 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000343288633 409427482 /nfs/dbraw/zinc/42/74/82/409427482.db2.gz RAXNFVOCJRDNSX-QWRGUYRKSA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@H]21)C1CC1 ZINC000343307601 409427754 /nfs/dbraw/zinc/42/77/54/409427754.db2.gz YUZGGGOLKJWUSP-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000343290543 409428494 /nfs/dbraw/zinc/42/84/94/409428494.db2.gz WWCVCEYKFPSGQB-JTQLQIEISA-N 1 1 318.399 -1.914 20 0 DAADMO COCCNc1nc(N2CC[C@@H](O)C2)nc(N2CC[C@@H](O)C2)[nH+]1 ZINC000344855401 409430684 /nfs/dbraw/zinc/43/06/84/409430684.db2.gz DZAYJNVQYVMSCP-GHMZBOCLSA-N 1 1 324.385 -1.506 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000344654198 409431918 /nfs/dbraw/zinc/43/19/18/409431918.db2.gz DKUKGOZVRJAOBU-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000344654198 409431924 /nfs/dbraw/zinc/43/19/24/409431924.db2.gz DKUKGOZVRJAOBU-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO NC(=O)c1ncn([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000332462811 409460890 /nfs/dbraw/zinc/46/08/90/409460890.db2.gz VTYFANJDACMZLQ-NSHDSACASA-N 1 1 322.369 -1.127 20 0 DAADMO NC(=O)c1ncn([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000332462811 409460894 /nfs/dbraw/zinc/46/08/94/409460894.db2.gz VTYFANJDACMZLQ-NSHDSACASA-N 1 1 322.369 -1.127 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000345029388 409434713 /nfs/dbraw/zinc/43/47/13/409434713.db2.gz UDZOKUOYPSWCDG-UHFFFAOYSA-N 1 1 316.383 -1.227 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000345376021 409437136 /nfs/dbraw/zinc/43/71/36/409437136.db2.gz VBQJPIRAVCNRSL-NSHDSACASA-N 1 1 308.448 -1.076 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000345376021 409437139 /nfs/dbraw/zinc/43/71/39/409437139.db2.gz VBQJPIRAVCNRSL-NSHDSACASA-N 1 1 308.448 -1.076 20 0 DAADMO CC(=O)N[C@H](CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(N)=O ZINC000345222143 409437350 /nfs/dbraw/zinc/43/73/50/409437350.db2.gz UPNSMKSIQVPENY-LLVKDONJSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)N[C@H](CC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(N)=O ZINC000345222143 409437355 /nfs/dbraw/zinc/43/73/55/409437355.db2.gz UPNSMKSIQVPENY-LLVKDONJSA-N 1 1 314.386 -1.407 20 0 DAADMO C[NH+](C)CCN(C(=O)Cn1cnnn1)[C@H]1CCS(=O)(=O)C1 ZINC000345214416 409438015 /nfs/dbraw/zinc/43/80/15/409438015.db2.gz CHZYJPOOTAKLAG-JTQLQIEISA-N 1 1 316.387 -1.750 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CN2CCOCC2)C1 ZINC000346154620 409441034 /nfs/dbraw/zinc/44/10/34/409441034.db2.gz REBXSPHEIHOMRH-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)C[N@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000351924705 409461385 /nfs/dbraw/zinc/46/13/85/409461385.db2.gz HSDBXCWCCFBVAI-ZDUSSCGKSA-N 1 1 317.430 -1.112 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000351924705 409461391 /nfs/dbraw/zinc/46/13/91/409461391.db2.gz HSDBXCWCCFBVAI-ZDUSSCGKSA-N 1 1 317.430 -1.112 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC(NC(C)=O)C2)CC1 ZINC000332432488 409461441 /nfs/dbraw/zinc/46/14/41/409461441.db2.gz JJXOPCSJPDNTAM-UHFFFAOYSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CCC[N@H+]1C ZINC000347753081 409444582 /nfs/dbraw/zinc/44/45/82/409444582.db2.gz CLPJVUWGFANZGI-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)CO1 ZINC000347962499 409447261 /nfs/dbraw/zinc/44/72/61/409447261.db2.gz ADYOLGUSGSPBMP-XQQFMLRXSA-N 1 1 312.414 -1.016 20 0 DAADMO COCCN(C)S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000348107269 409447380 /nfs/dbraw/zinc/44/73/80/409447380.db2.gz VUOYLXSHYOBWKN-UHFFFAOYSA-N 1 1 322.431 -1.437 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000348117400 409447465 /nfs/dbraw/zinc/44/74/65/409447465.db2.gz CRFMWKZVPXXOGS-NSHDSACASA-N 1 1 313.354 -1.713 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)CO1 ZINC000347962501 409447702 /nfs/dbraw/zinc/44/77/02/409447702.db2.gz ADYOLGUSGSPBMP-YNEHKIRRSA-N 1 1 312.414 -1.016 20 0 DAADMO CN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347968701 409447840 /nfs/dbraw/zinc/44/78/40/409447840.db2.gz OVTDDDOTRPBQIN-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000347968655 409448032 /nfs/dbraw/zinc/44/80/32/409448032.db2.gz OMNFMVBWRYMWLE-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO COCCN(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000348105352 409448440 /nfs/dbraw/zinc/44/84/40/409448440.db2.gz RAVKRVSSVRDWEK-LLVKDONJSA-N 1 1 322.431 -1.261 20 0 DAADMO COCCN(C)S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000348105352 409448443 /nfs/dbraw/zinc/44/84/43/409448443.db2.gz RAVKRVSSVRDWEK-LLVKDONJSA-N 1 1 322.431 -1.261 20 0 DAADMO CN(CCn1cccn1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347955426 409448491 /nfs/dbraw/zinc/44/84/91/409448491.db2.gz AVLRECPAXJBJOO-ZDUSSCGKSA-N 1 1 322.413 -1.297 20 0 DAADMO C[C@H]1COCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000347967487 409448676 /nfs/dbraw/zinc/44/86/76/409448676.db2.gz NLSWITKPEOAGNL-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000347803242 409448966 /nfs/dbraw/zinc/44/89/66/409448966.db2.gz GEEQRFCCQUZPEZ-UHFFFAOYSA-N 1 1 300.359 -1.253 20 0 DAADMO CC(C)N(C[C@@H](C)O)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347970078 409449310 /nfs/dbraw/zinc/44/93/10/409449310.db2.gz QFUKTAPJGBBKEE-CHWSQXEVSA-N 1 1 314.430 -1.034 20 0 DAADMO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347965329 409449383 /nfs/dbraw/zinc/44/93/83/409449383.db2.gz LEUATCFQCDIAKQ-AGIUHOORSA-N 1 1 312.414 -1.016 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000347964023 409449412 /nfs/dbraw/zinc/44/94/12/409449412.db2.gz KNFULNXEZYUINI-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NC2(c3nn[nH]n3)CC2)CC1=O ZINC000348298749 409452044 /nfs/dbraw/zinc/45/20/44/409452044.db2.gz UDTRRGHDSVNSOC-SECBINFHSA-N 1 1 307.358 -1.285 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000367103081 409453534 /nfs/dbraw/zinc/45/35/34/409453534.db2.gz LEZSMAICCRJURY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001193620148 782011448 /nfs/dbraw/zinc/01/14/48/782011448.db2.gz UJNLRXMQONENDB-JHJVBQTASA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193620148 782011454 /nfs/dbraw/zinc/01/14/54/782011454.db2.gz UJNLRXMQONENDB-JHJVBQTASA-N 1 1 312.370 -1.489 20 0 DAADMO C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H](C)N1CCO ZINC000333860701 409467482 /nfs/dbraw/zinc/46/74/82/409467482.db2.gz RZGDQFXQOYGAJD-OKILXGFUSA-N 1 1 313.446 -1.012 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333670781 409468066 /nfs/dbraw/zinc/46/80/66/409468066.db2.gz COHGOZKNKWVRFN-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333670784 409468483 /nfs/dbraw/zinc/46/84/83/409468483.db2.gz COHGOZKNKWVRFN-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H](O)CN1CCOCC1 ZINC000333116569 409464131 /nfs/dbraw/zinc/46/41/31/409464131.db2.gz GLXBHLKVIDSLLN-GFCCVEGCSA-N 1 1 314.386 -2.430 20 0 DAADMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H](O)CN1CCOCC1 ZINC000333116569 409464136 /nfs/dbraw/zinc/46/41/36/409464136.db2.gz GLXBHLKVIDSLLN-GFCCVEGCSA-N 1 1 314.386 -2.430 20 0 DAADMO CN(CC(=O)N1CCNC(=O)C1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000333116569 409464141 /nfs/dbraw/zinc/46/41/41/409464141.db2.gz GLXBHLKVIDSLLN-GFCCVEGCSA-N 1 1 314.386 -2.430 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022206 409464535 /nfs/dbraw/zinc/46/45/35/409464535.db2.gz OBHIPDFQAHHQBZ-RYUDHWBXSA-N 1 1 301.387 -1.213 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022206 409464540 /nfs/dbraw/zinc/46/45/40/409464540.db2.gz OBHIPDFQAHHQBZ-RYUDHWBXSA-N 1 1 301.387 -1.213 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652887322 409472112 /nfs/dbraw/zinc/47/21/12/409472112.db2.gz SROXRSUFLHGVGI-CYBMUJFWSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652887322 409472116 /nfs/dbraw/zinc/47/21/16/409472116.db2.gz SROXRSUFLHGVGI-CYBMUJFWSA-N 1 1 312.414 -1.280 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888437 409472438 /nfs/dbraw/zinc/47/24/38/409472438.db2.gz IFGKYXRKAJAOKW-SNVBAGLBSA-N 1 1 312.399 -1.030 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888437 409472442 /nfs/dbraw/zinc/47/24/42/409472442.db2.gz IFGKYXRKAJAOKW-SNVBAGLBSA-N 1 1 312.399 -1.030 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888292 409472736 /nfs/dbraw/zinc/47/27/36/409472736.db2.gz BFJKNHZIQATONN-NEPJUHHUSA-N 1 1 319.427 -1.162 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888292 409472739 /nfs/dbraw/zinc/47/27/39/409472739.db2.gz BFJKNHZIQATONN-NEPJUHHUSA-N 1 1 319.427 -1.162 20 0 DAADMO COC(=O)COCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000353446438 409474004 /nfs/dbraw/zinc/47/40/04/409474004.db2.gz MUBVNNJTAHBZKB-SNVBAGLBSA-N 1 1 301.343 -1.368 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000333942341 409468810 /nfs/dbraw/zinc/46/88/10/409468810.db2.gz PUYRAPIVCAVXKE-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1=O ZINC000352437025 409469065 /nfs/dbraw/zinc/46/90/65/409469065.db2.gz LFMVXJSXJSDOHQ-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO COCCN1C[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652887566 409469808 /nfs/dbraw/zinc/46/98/08/409469808.db2.gz CBICIHFHTBMLID-WCQYABFASA-N 1 1 311.382 -1.241 20 0 DAADMO COCCN1C[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652887566 409469811 /nfs/dbraw/zinc/46/98/11/409469811.db2.gz CBICIHFHTBMLID-WCQYABFASA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](C)CO ZINC000355127548 409479414 /nfs/dbraw/zinc/47/94/14/409479414.db2.gz GMOATJQEYQJONN-SDDRHHMPSA-N 1 1 313.398 -1.071 20 0 DAADMO NC(=O)CN1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000353958498 409474346 /nfs/dbraw/zinc/47/43/46/409474346.db2.gz FURNEGLCIYVHGO-UHFFFAOYSA-N 1 1 306.370 -1.080 20 0 DAADMO COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353204721 409474492 /nfs/dbraw/zinc/47/44/92/409474492.db2.gz NLXXALMEMGXGKI-VHSXEESVSA-N 1 1 300.359 -1.715 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000353765865 409474545 /nfs/dbraw/zinc/47/45/45/409474545.db2.gz HWKNOYQDBFPNJO-WDEREUQCSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000353765865 409474548 /nfs/dbraw/zinc/47/45/48/409474548.db2.gz HWKNOYQDBFPNJO-WDEREUQCSA-N 1 1 305.400 -1.013 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+](CCO)CCO)CC1 ZINC000355495263 409483270 /nfs/dbraw/zinc/48/32/70/409483270.db2.gz BJCUYVOWSCAABL-UHFFFAOYSA-N 1 1 316.402 -2.495 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000355272480 409483393 /nfs/dbraw/zinc/48/33/93/409483393.db2.gz VIEFUOXSJLIIHW-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CN2CCOCC2)C1 ZINC000355272480 409483398 /nfs/dbraw/zinc/48/33/98/409483398.db2.gz VIEFUOXSJLIIHW-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000355272486 409484158 /nfs/dbraw/zinc/48/41/58/409484158.db2.gz VIEFUOXSJLIIHW-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1 ZINC000355272486 409484162 /nfs/dbraw/zinc/48/41/62/409484162.db2.gz VIEFUOXSJLIIHW-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000355144175 409484439 /nfs/dbraw/zinc/48/44/39/409484439.db2.gz KBMJPLGREOKXPU-ONGXEEELSA-N 1 1 310.354 -1.948 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CS(=O)(=O)N(C)C ZINC000356509733 409486478 /nfs/dbraw/zinc/48/64/78/409486478.db2.gz VCYZIRBOBNSITO-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO CN(CCCNC(=O)CS(=O)(=O)N(C)C)CC[NH+](C)C ZINC000356509733 409486483 /nfs/dbraw/zinc/48/64/83/409486483.db2.gz VCYZIRBOBNSITO-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000355302975 409482122 /nfs/dbraw/zinc/48/21/22/409482122.db2.gz WJFUPJGWFHHDRD-CHWSQXEVSA-N 1 1 313.446 -1.195 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000355211782 409482296 /nfs/dbraw/zinc/48/22/96/409482296.db2.gz NNOMZSYSPBVXJT-UHFFFAOYSA-N 1 1 321.443 -1.247 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[C@@H](CO)C1 ZINC000358568955 409495897 /nfs/dbraw/zinc/49/58/97/409495897.db2.gz HMRPIJLUTSZSQE-NWDGAFQWSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C[C@@H]1C(N)=O ZINC000356950231 409490125 /nfs/dbraw/zinc/49/01/25/409490125.db2.gz PBRURNFTHKDFKO-VWYCJHECSA-N 1 1 313.354 -1.824 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357888996 409492272 /nfs/dbraw/zinc/49/22/72/409492272.db2.gz FVGQMAFDBVOEIK-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357888996 409492275 /nfs/dbraw/zinc/49/22/75/409492275.db2.gz FVGQMAFDBVOEIK-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC000357862627 409492898 /nfs/dbraw/zinc/49/28/98/409492898.db2.gz BBEBVTBUTJNQNX-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000357892777 409493086 /nfs/dbraw/zinc/49/30/86/409493086.db2.gz UOOIPVZNPXKPSO-SECBINFHSA-N 1 1 318.399 -1.025 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000357892777 409493090 /nfs/dbraw/zinc/49/30/90/409493090.db2.gz UOOIPVZNPXKPSO-SECBINFHSA-N 1 1 318.399 -1.025 20 0 DAADMO CCN1CC[NH+](CCC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000358524793 409497262 /nfs/dbraw/zinc/49/72/62/409497262.db2.gz VCPZAWPDPKLDFV-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000357469741 409494043 /nfs/dbraw/zinc/49/40/43/409494043.db2.gz GMFANJZDDWOHDM-NSHDSACASA-N 1 1 312.374 -1.523 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425848021 409557839 /nfs/dbraw/zinc/55/78/39/409557839.db2.gz MTYGRPRNAUFUCS-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428490912 409558324 /nfs/dbraw/zinc/55/83/24/409558324.db2.gz QGVRQHZPGUGPPJ-DMDPSCGWSA-N 1 1 313.398 -1.213 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000515188753 409559112 /nfs/dbraw/zinc/55/91/12/409559112.db2.gz SGBGDPIKSZOPMQ-UHFFFAOYSA-N 1 1 324.447 -1.191 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000429673069 409561461 /nfs/dbraw/zinc/56/14/61/409561461.db2.gz ULXUARWLTURATD-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000429673068 409563926 /nfs/dbraw/zinc/56/39/26/409563926.db2.gz ULXUARWLTURATD-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428776182 409565292 /nfs/dbraw/zinc/56/52/92/409565292.db2.gz CXKWCFDKKVPZRZ-SECBINFHSA-N 1 1 306.388 -1.202 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359406147 409499461 /nfs/dbraw/zinc/49/94/61/409499461.db2.gz ASXVDLMMOWIHTG-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359430005 409502812 /nfs/dbraw/zinc/50/28/12/409502812.db2.gz OFLFARRJJULUEN-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359430009 409503311 /nfs/dbraw/zinc/50/33/11/409503311.db2.gz OFLFARRJJULUEN-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C)S(N)(=O)=O ZINC000359426692 409503358 /nfs/dbraw/zinc/50/33/58/409503358.db2.gz KHILQFBUYYUERI-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360186610 409505136 /nfs/dbraw/zinc/50/51/36/409505136.db2.gz AYONZMIAAHLLAE-DTWKUNHWSA-N 1 1 300.384 -1.498 20 0 DAADMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000359749727 409505212 /nfs/dbraw/zinc/50/52/12/409505212.db2.gz WACHTHSRWDYEHT-JTQLQIEISA-N 1 1 303.388 -1.108 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000359749727 409505216 /nfs/dbraw/zinc/50/52/16/409505216.db2.gz WACHTHSRWDYEHT-JTQLQIEISA-N 1 1 303.388 -1.108 20 0 DAADMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000360198156 409506520 /nfs/dbraw/zinc/50/65/20/409506520.db2.gz JSQNFQBUCKTDHH-LLVKDONJSA-N 1 1 314.411 -1.154 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000361192411 409507093 /nfs/dbraw/zinc/50/70/93/409507093.db2.gz VJNVDQCPHASRBK-VIFPVBQESA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000361192411 409507096 /nfs/dbraw/zinc/50/70/96/409507096.db2.gz VJNVDQCPHASRBK-VIFPVBQESA-N 1 1 318.399 -1.060 20 0 DAADMO CO[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000361358507 409509010 /nfs/dbraw/zinc/50/90/10/409509010.db2.gz XXYBFUQYAIXXKY-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000367385280 409510079 /nfs/dbraw/zinc/51/00/79/409510079.db2.gz VJIZIUFWOUHPCF-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000367385280 409510082 /nfs/dbraw/zinc/51/00/82/409510082.db2.gz VJIZIUFWOUHPCF-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362079453 409510118 /nfs/dbraw/zinc/51/01/18/409510118.db2.gz PENNPEAHSJCQEB-CYBMUJFWSA-N 1 1 309.414 -1.734 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000361946992 409510166 /nfs/dbraw/zinc/51/01/66/409510166.db2.gz QPOCYCDHPKVHQU-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000361946992 409510168 /nfs/dbraw/zinc/51/01/68/409510168.db2.gz QPOCYCDHPKVHQU-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCCN2CCOCC2)C1 ZINC000361816298 409510329 /nfs/dbraw/zinc/51/03/29/409510329.db2.gz TXZGSZRSUIRFDW-CYBMUJFWSA-N 1 1 321.443 -1.305 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362074747 409511130 /nfs/dbraw/zinc/51/11/30/409511130.db2.gz AZXIDVGGVXSNMV-GFCCVEGCSA-N 1 1 316.427 -1.520 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370750294 409511893 /nfs/dbraw/zinc/51/18/93/409511893.db2.gz PFWFRQCLXMCOGB-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000370685719 409511918 /nfs/dbraw/zinc/51/19/18/409511918.db2.gz HPZKGKJCQDTARX-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371028694 409512450 /nfs/dbraw/zinc/51/24/50/409512450.db2.gz RJLYQQADDYSOIK-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000372022419 409513459 /nfs/dbraw/zinc/51/34/59/409513459.db2.gz URYWQKMSIWAVNF-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC000373530764 409518144 /nfs/dbraw/zinc/51/81/44/409518144.db2.gz RSBTXIVWBOZPTK-NSHDSACASA-N 1 1 312.370 -1.518 20 0 DAADMO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CNCCO1 ZINC000374619226 409520166 /nfs/dbraw/zinc/52/01/66/409520166.db2.gz NRPUDDXJVUCJAG-VHSXEESVSA-N 1 1 310.320 -1.073 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)S(N)(=O)=O ZINC000645621290 409524270 /nfs/dbraw/zinc/52/42/70/409524270.db2.gz JVMVVBLXAZKROM-BBBLOLIVSA-N 1 1 318.399 -2.058 20 0 DAADMO CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCN2C1=O ZINC000377996276 409525388 /nfs/dbraw/zinc/52/53/88/409525388.db2.gz GJUYUFGPBOGMMQ-MNOVXSKESA-N 1 1 310.354 -1.188 20 0 DAADMO CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCN2C1=O ZINC000377996276 409525399 /nfs/dbraw/zinc/52/53/99/409525399.db2.gz GJUYUFGPBOGMMQ-MNOVXSKESA-N 1 1 310.354 -1.188 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659706605 409526982 /nfs/dbraw/zinc/52/69/82/409526982.db2.gz NRPKEQGQOQXBFB-AVERBVTBSA-N 1 1 310.398 -1.227 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000653024735 409529937 /nfs/dbraw/zinc/52/99/37/409529937.db2.gz UNPCXQATJPWPIX-UHFFFAOYSA-N 1 1 323.401 -1.121 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000653024735 409529942 /nfs/dbraw/zinc/52/99/42/409529942.db2.gz UNPCXQATJPWPIX-UHFFFAOYSA-N 1 1 323.401 -1.121 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000653034215 409530474 /nfs/dbraw/zinc/53/04/74/409530474.db2.gz URLKGZVGUSHRCT-UHFFFAOYSA-N 1 1 324.433 -1.037 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCCCN(C)CC[NH+](C)C)n1 ZINC000653034215 409530485 /nfs/dbraw/zinc/53/04/85/409530485.db2.gz URLKGZVGUSHRCT-UHFFFAOYSA-N 1 1 324.433 -1.037 20 0 DAADMO CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000314818731 409537075 /nfs/dbraw/zinc/53/70/75/409537075.db2.gz QGEYRVNPQLACNB-ZDUSSCGKSA-N 1 1 301.343 -1.632 20 0 DAADMO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000314818731 409537084 /nfs/dbraw/zinc/53/70/84/409537084.db2.gz QGEYRVNPQLACNB-ZDUSSCGKSA-N 1 1 301.343 -1.632 20 0 DAADMO C[C@@H]1COCCN1CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420156123 409540017 /nfs/dbraw/zinc/54/00/17/409540017.db2.gz VDLKJXNQOPGOCD-SECBINFHSA-N 1 1 308.329 -1.467 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000646449179 409623257 /nfs/dbraw/zinc/62/32/57/409623257.db2.gz JQDARXXDQUODAM-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC000646577724 409624952 /nfs/dbraw/zinc/62/49/52/409624952.db2.gz DRDWCQJZYJDQRA-UHFFFAOYSA-N 1 1 308.404 -1.779 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000646449178 409626417 /nfs/dbraw/zinc/62/64/17/409626417.db2.gz JQDARXXDQUODAM-DCAQKATOSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1cnn(CC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1=O ZINC000646439594 409626465 /nfs/dbraw/zinc/62/64/65/409626465.db2.gz HTPAZQFAGMRUDK-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO Cn1cnn(CC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1=O ZINC000646439593 409626555 /nfs/dbraw/zinc/62/65/55/409626555.db2.gz HTPAZQFAGMRUDK-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)S1(=O)=O ZINC000648918220 409641376 /nfs/dbraw/zinc/64/13/76/409641376.db2.gz OHQHINSQVQECDN-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)S1(=O)=O ZINC000648918264 409641526 /nfs/dbraw/zinc/64/15/26/409641526.db2.gz QGXVAPIVSGPMTI-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653826436 409632478 /nfs/dbraw/zinc/63/24/78/409632478.db2.gz CDQWAPLRYAEAAT-QLFBSQMISA-N 1 1 324.425 -1.136 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1=O ZINC000653901262 409637679 /nfs/dbraw/zinc/63/76/79/409637679.db2.gz QZUISUKJBPCJFP-LLVKDONJSA-N 1 1 317.411 -1.204 20 0 DAADMO COC[C@](C)(O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000522118707 409637922 /nfs/dbraw/zinc/63/79/22/409637922.db2.gz DCLIMTFZBHDLEF-CQSZACIVSA-N 1 1 316.402 -1.153 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648775387 409638192 /nfs/dbraw/zinc/63/81/92/409638192.db2.gz KHBWTDAWXJDGNY-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430621232 409570944 /nfs/dbraw/zinc/57/09/44/409570944.db2.gz CLJKZDAWGPUXSE-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430621232 409570945 /nfs/dbraw/zinc/57/09/45/409570945.db2.gz CLJKZDAWGPUXSE-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CS(=O)(=O)NCCN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617781 409570960 /nfs/dbraw/zinc/57/09/60/409570960.db2.gz OYINJWYQYXFKIS-GFCCVEGCSA-N 1 1 318.443 -1.321 20 0 DAADMO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000430600650 409571422 /nfs/dbraw/zinc/57/14/22/409571422.db2.gz BRAOTTRHIWEDJF-LLVKDONJSA-N 1 1 311.386 -2.268 20 0 DAADMO CS(=O)(=O)NCCN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430617782 409571832 /nfs/dbraw/zinc/57/18/32/409571832.db2.gz OYINJWYQYXFKIS-LBPRGKRZSA-N 1 1 318.443 -1.321 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430621233 409571874 /nfs/dbraw/zinc/57/18/74/409571874.db2.gz CLJKZDAWGPUXSE-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430621233 409571879 /nfs/dbraw/zinc/57/18/79/409571879.db2.gz CLJKZDAWGPUXSE-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000648775388 409639694 /nfs/dbraw/zinc/63/96/94/409639694.db2.gz KHBWTDAWXJDGNY-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000523649125 409639721 /nfs/dbraw/zinc/63/97/21/409639721.db2.gz RNNILEWTAKGQQU-CQSZACIVSA-N 1 1 324.425 -1.059 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000435375150 409577860 /nfs/dbraw/zinc/57/78/60/409577860.db2.gz ZYBJYYAGIKPRPA-UHFFFAOYSA-N 1 1 320.459 -1.075 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000524569734 409639867 /nfs/dbraw/zinc/63/98/67/409639867.db2.gz WXTCEOTYSWXGQG-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CN2CN=NC2=O)C1 ZINC000436358172 409579798 /nfs/dbraw/zinc/57/97/98/409579798.db2.gz BOVBFZUVCUMVOW-SNVBAGLBSA-N 1 1 310.358 -1.313 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCC[N@@H+](C)CCCOC ZINC000439056878 409582387 /nfs/dbraw/zinc/58/23/87/409582387.db2.gz MLPLMMXYZSMOKZ-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000440424412 409585646 /nfs/dbraw/zinc/58/56/46/409585646.db2.gz FDKKDSOZCYTDNM-AOOOYVTPSA-N 1 1 313.445 -1.062 20 0 DAADMO CCN(C[C@H](O)C[N@@H+](CC)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440960799 409586704 /nfs/dbraw/zinc/58/67/04/409586704.db2.gz UMHNVPJWYRLGCF-CLLJXQQHSA-N 1 1 312.414 -1.232 20 0 DAADMO CCN(C[C@@H](O)C[N@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440960799 409586708 /nfs/dbraw/zinc/58/67/08/409586708.db2.gz UMHNVPJWYRLGCF-CLLJXQQHSA-N 1 1 312.414 -1.232 20 0 DAADMO CCN(C[C@@H](O)C[N@@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440960799 409586717 /nfs/dbraw/zinc/58/67/17/409586717.db2.gz UMHNVPJWYRLGCF-CLLJXQQHSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000646120312 409600392 /nfs/dbraw/zinc/60/03/92/409600392.db2.gz YHSBYULIHOVVGF-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000646119708 409600439 /nfs/dbraw/zinc/60/04/39/409600439.db2.gz RGUPVNQADNVFCM-GFCCVEGCSA-N 1 1 321.381 -1.947 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000645990281 409602244 /nfs/dbraw/zinc/60/22/44/409602244.db2.gz QAUWFHSMDWTVIS-KOLCDFICSA-N 1 1 322.365 -1.040 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(=O)n(C)c1=O ZINC000645990281 409602285 /nfs/dbraw/zinc/60/22/85/409602285.db2.gz QAUWFHSMDWTVIS-KOLCDFICSA-N 1 1 322.365 -1.040 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000645985054 409602842 /nfs/dbraw/zinc/60/28/42/409602842.db2.gz FPNNFRDNRDHMFO-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000645985054 409602847 /nfs/dbraw/zinc/60/28/47/409602847.db2.gz FPNNFRDNRDHMFO-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCNCC3=O)CC2)C1 ZINC000646003184 409603264 /nfs/dbraw/zinc/60/32/64/409603264.db2.gz VUAYBMLNDKXQSW-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000646119641 409603769 /nfs/dbraw/zinc/60/37/69/409603769.db2.gz OOSJCUXDSOOWIB-SNVBAGLBSA-N 1 1 307.354 -1.394 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646025234 409604035 /nfs/dbraw/zinc/60/40/35/409604035.db2.gz NHZDVLIJQYUWPH-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646025234 409604041 /nfs/dbraw/zinc/60/40/41/409604041.db2.gz NHZDVLIJQYUWPH-OLZOCXBDSA-N 1 1 307.350 -1.150 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000659723569 409694963 /nfs/dbraw/zinc/69/49/63/409694963.db2.gz JPZSGFBERWHIOV-VIFPVBQESA-N 1 1 316.312 -1.163 20 0 DAADMO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659742987 409698702 /nfs/dbraw/zinc/69/87/02/409698702.db2.gz XGYSJVCPFLAYJY-YNEHKIRRSA-N 1 1 312.414 -1.247 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)CCN2C1=O ZINC000659994575 409702146 /nfs/dbraw/zinc/70/21/46/409702146.db2.gz NPPJDJWWJDDWTR-JTQLQIEISA-N 1 1 323.353 -1.151 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)CCN2C1=O ZINC000659994575 409702150 /nfs/dbraw/zinc/70/21/50/409702150.db2.gz NPPJDJWWJDDWTR-JTQLQIEISA-N 1 1 323.353 -1.151 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCN3C(=O)C(=O)NC[C@H]3C2)C[C@H](C)O1 ZINC000660009430 409702990 /nfs/dbraw/zinc/70/29/90/409702990.db2.gz RZQSBRQFBFXLHY-XQQFMLRXSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCN3C(=O)C(=O)NC[C@H]3C2)C[C@H](C)O1 ZINC000660009430 409702996 /nfs/dbraw/zinc/70/29/96/409702996.db2.gz RZQSBRQFBFXLHY-XQQFMLRXSA-N 1 1 310.398 -1.262 20 0 DAADMO CNS(=O)(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660553653 409703655 /nfs/dbraw/zinc/70/36/55/409703655.db2.gz VSIFBBIJNUUTJC-LBPRGKRZSA-N 1 1 308.448 -1.231 20 0 DAADMO C[C@H]1C[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H](C)C1O ZINC000661620170 409706239 /nfs/dbraw/zinc/70/62/39/409706239.db2.gz DGAJMTONECKPQJ-IUCAKERBSA-N 1 1 324.381 -1.202 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661679355 409706714 /nfs/dbraw/zinc/70/67/14/409706714.db2.gz DECIHQUBBVUHSG-OLZOCXBDSA-N 1 1 323.459 -1.109 20 0 DAADMO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000661772976 409709772 /nfs/dbraw/zinc/70/97/72/409709772.db2.gz WVADXNPZOZAZRH-DTWKUNHWSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000661772976 409709779 /nfs/dbraw/zinc/70/97/79/409709779.db2.gz WVADXNPZOZAZRH-DTWKUNHWSA-N 1 1 310.354 -1.306 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)S1(=O)=O ZINC000648918265 409643712 /nfs/dbraw/zinc/64/37/12/409643712.db2.gz QGXVAPIVSGPMTI-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCS(N)(=O)=O)C[C@H]21 ZINC000661885313 409710664 /nfs/dbraw/zinc/71/06/64/409710664.db2.gz WWVWHHKIGKUSQT-AEJSXWLSSA-N 1 1 312.413 -1.591 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCS(N)(=O)=O)C[C@H]21 ZINC000661885313 409710670 /nfs/dbraw/zinc/71/06/70/409710670.db2.gz WWVWHHKIGKUSQT-AEJSXWLSSA-N 1 1 312.413 -1.591 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)CC[N@H+]1C ZINC000649212646 409654602 /nfs/dbraw/zinc/65/46/02/409654602.db2.gz KMXYUMIEHQIOOL-VXGBXAGGSA-N 1 1 318.443 -1.241 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000576480996 409656748 /nfs/dbraw/zinc/65/67/48/409656748.db2.gz WTWZDHNSGJZFIP-CMPLNLGQSA-N 1 1 323.397 -1.192 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000576287796 409658591 /nfs/dbraw/zinc/65/85/91/409658591.db2.gz LIXWHLSJIPSFNZ-NSHDSACASA-N 1 1 322.431 -1.607 20 0 DAADMO O=C(CN1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCNC(=O)C1 ZINC000662155854 409711008 /nfs/dbraw/zinc/71/10/08/409711008.db2.gz HHIFCKHCXJECBY-ZDUSSCGKSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(NCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccn[nH]1 ZINC000654523900 409664163 /nfs/dbraw/zinc/66/41/63/409664163.db2.gz UZPQDYRCGPDWGS-WDEREUQCSA-N 1 1 322.369 -1.400 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661883164 409711219 /nfs/dbraw/zinc/71/12/19/409711219.db2.gz FSYQQFNZWKDDEY-QNWHQSFQSA-N 1 1 323.411 -1.246 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000658753100 409664524 /nfs/dbraw/zinc/66/45/24/409664524.db2.gz SEFOQLUZRDCUMY-IJLUTSLNSA-N 1 1 313.398 -1.213 20 0 DAADMO CO[C@@](C)(CO)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000654372876 409664605 /nfs/dbraw/zinc/66/46/05/409664605.db2.gz VCXDLPCNBRAGPQ-CQSZACIVSA-N 1 1 316.402 -1.153 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(=O)n1C ZINC000654781967 409667602 /nfs/dbraw/zinc/66/76/02/409667602.db2.gz BDMLMUUGIJGURB-GFCCVEGCSA-N 1 1 324.429 -1.110 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661883164 409711226 /nfs/dbraw/zinc/71/12/26/409711226.db2.gz FSYQQFNZWKDDEY-QNWHQSFQSA-N 1 1 323.411 -1.246 20 0 DAADMO CCN(C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807396 409669682 /nfs/dbraw/zinc/66/96/82/409669682.db2.gz NVYSKYQEGUWNMA-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(=O)n1C ZINC000655120506 409669874 /nfs/dbraw/zinc/66/98/74/409669874.db2.gz KKGAFYGBFKSMDO-LBPRGKRZSA-N 1 1 311.386 -1.147 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(=O)n1C ZINC000655121902 409670379 /nfs/dbraw/zinc/67/03/79/409670379.db2.gz VTFCBNWJLKNFSC-LBPRGKRZSA-N 1 1 311.386 -1.147 20 0 DAADMO Cc1nn(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(=O)n1C ZINC000655017093 409671284 /nfs/dbraw/zinc/67/12/84/409671284.db2.gz WARGZGKTTSUELE-UHFFFAOYSA-N 1 1 311.386 -1.195 20 0 DAADMO COc1ncncc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654907381 409671544 /nfs/dbraw/zinc/67/15/44/409671544.db2.gz FATRNULXFNYMMR-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO COc1cncc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000654908152 409671873 /nfs/dbraw/zinc/67/18/73/409671873.db2.gz QGWFECFIMFIOCU-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(=O)n1C ZINC000655150077 409674303 /nfs/dbraw/zinc/67/43/03/409674303.db2.gz PLVFSOZZMQBORO-MNOVXSKESA-N 1 1 311.386 -1.196 20 0 DAADMO Cn1cnnc1N1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000655947684 409675002 /nfs/dbraw/zinc/67/50/02/409675002.db2.gz VMJCUQVXYYQWFK-UHFFFAOYSA-N 1 1 307.402 -1.241 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000656999401 409676889 /nfs/dbraw/zinc/67/68/89/409676889.db2.gz NAEQDURACWIQNW-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000656999401 409676895 /nfs/dbraw/zinc/67/68/95/409676895.db2.gz NAEQDURACWIQNW-SNVBAGLBSA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1nncc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000656999447 409677468 /nfs/dbraw/zinc/67/74/68/409677468.db2.gz PAUOGWFRDXJUMN-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO Cn1nncc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000656999447 409677472 /nfs/dbraw/zinc/67/74/72/409677472.db2.gz PAUOGWFRDXJUMN-JTQLQIEISA-N 1 1 303.388 -1.060 20 0 DAADMO CO[C@@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659568540 409685519 /nfs/dbraw/zinc/68/55/19/409685519.db2.gz MVKHARWDJPXMCV-JTQLQIEISA-N 1 1 320.415 -1.350 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659699761 409688359 /nfs/dbraw/zinc/68/83/59/409688359.db2.gz VMRUPICDAARCRC-VXGBXAGGSA-N 1 1 318.393 -1.031 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659699761 409688368 /nfs/dbraw/zinc/68/83/68/409688368.db2.gz VMRUPICDAARCRC-VXGBXAGGSA-N 1 1 318.393 -1.031 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659707284 409688602 /nfs/dbraw/zinc/68/86/02/409688602.db2.gz UFPUTBYTLGTGPK-QJPTWQEYSA-N 1 1 316.377 -1.279 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCN(c2cc(=O)n(C)c(=O)n2C)CC1 ZINC000663385280 409724969 /nfs/dbraw/zinc/72/49/69/409724969.db2.gz XDTWKQJAWQDRTH-UHFFFAOYSA-N 1 1 323.397 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CCCN(c2cc(=O)n(C)c(=O)n2C)CC1 ZINC000663385280 409724979 /nfs/dbraw/zinc/72/49/79/409724979.db2.gz XDTWKQJAWQDRTH-UHFFFAOYSA-N 1 1 323.397 -1.268 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC000663617985 409725422 /nfs/dbraw/zinc/72/54/22/409725422.db2.gz QUKXWJLBXTZHKV-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO COCc1nc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000664246242 409728466 /nfs/dbraw/zinc/72/84/66/409728466.db2.gz WGJGIHZBXLQXLJ-UHFFFAOYSA-N 1 1 324.385 -1.145 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@@H]1O ZINC000664464671 409733224 /nfs/dbraw/zinc/73/32/24/409733224.db2.gz VHDXHAYLRAJUSX-DCAQKATOSA-N 1 1 305.400 -1.120 20 0 DAADMO C[N@H+]1CCC[C@H](CNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000665103129 409735928 /nfs/dbraw/zinc/73/59/28/409735928.db2.gz JVLSWEWHUOHXPD-LLVKDONJSA-N 1 1 322.431 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000665015326 409736074 /nfs/dbraw/zinc/73/60/74/409736074.db2.gz XMWUTYPTICLHJV-SNVBAGLBSA-N 1 1 319.431 -1.082 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000665011899 409736685 /nfs/dbraw/zinc/73/66/85/409736685.db2.gz LFDHTYHFLYYTFH-LLVKDONJSA-N 1 1 323.419 -2.252 20 0 DAADMO C[C@H](CNC(=O)C(=O)Nc1ccn(C)n1)C[NH+]1CCOCC1 ZINC000350752154 409742229 /nfs/dbraw/zinc/74/22/29/409742229.db2.gz LLFUGCGCCZSJTA-LLVKDONJSA-N 1 1 309.370 -0.557 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)Nc2ncn(C)n2)CC[N@@H+]1CC(C)(C)O ZINC000340242672 409749810 /nfs/dbraw/zinc/74/98/10/409749810.db2.gz CWLOUPNENXVUIR-JTQLQIEISA-N 1 1 324.385 -0.943 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)Nc2ncn(C)n2)CC[N@H+]1CC(C)(C)O ZINC000340242672 409749818 /nfs/dbraw/zinc/74/98/18/409749818.db2.gz CWLOUPNENXVUIR-JTQLQIEISA-N 1 1 324.385 -0.943 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000592551749 409766737 /nfs/dbraw/zinc/76/67/37/409766737.db2.gz LPBVQXSFFKOSCN-SECBINFHSA-N 1 1 310.310 -0.715 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ncn(C)n2)CC1 ZINC000425802026 409772819 /nfs/dbraw/zinc/77/28/19/409772819.db2.gz IBLMHESKSUFTBT-UHFFFAOYSA-N 1 1 324.385 -0.677 20 0 DAADMO NS(=O)(=O)N1CCC[C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000662767666 409719356 /nfs/dbraw/zinc/71/93/56/409719356.db2.gz XWGANFJOEGQVJG-ZETCQYMHSA-N 1 1 300.331 -1.388 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193728064 782013145 /nfs/dbraw/zinc/01/31/45/782013145.db2.gz NNOFIHSNCJAKIT-RAIGVLPGSA-N 1 1 313.354 -1.306 20 0 DAADMO C[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)S(N)(=O)=O ZINC000353283380 409796619 /nfs/dbraw/zinc/79/66/19/409796619.db2.gz USKSKLRAHDCJEP-VIFPVBQESA-N 1 1 301.372 -0.598 20 0 DAADMO Cn1c(NCC[N@H+]2CC[C@H](O)C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000624774755 409798302 /nfs/dbraw/zinc/79/83/02/409798302.db2.gz LRFCRJNFJCFEHG-QMMMGPOBSA-N 1 1 308.342 -1.149 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(C)n2)CC[N@@H+]1CC(C)(C)O ZINC000340242673 409799115 /nfs/dbraw/zinc/79/91/15/409799115.db2.gz CWLOUPNENXVUIR-SNVBAGLBSA-N 1 1 324.385 -0.943 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(C)n2)CC[N@H+]1CC(C)(C)O ZINC000340242673 409799122 /nfs/dbraw/zinc/79/91/22/409799122.db2.gz CWLOUPNENXVUIR-SNVBAGLBSA-N 1 1 324.385 -0.943 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000516987252 409802023 /nfs/dbraw/zinc/80/20/23/409802023.db2.gz LWSXJARBOBMGMU-VIFPVBQESA-N 1 1 308.390 -1.505 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000516987252 409802037 /nfs/dbraw/zinc/80/20/37/409802037.db2.gz LWSXJARBOBMGMU-VIFPVBQESA-N 1 1 308.390 -1.505 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC000577000779 409802376 /nfs/dbraw/zinc/80/23/76/409802376.db2.gz QAHHWZWRSGUQRD-SNVBAGLBSA-N 1 1 323.401 -0.904 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1C(F)(F)F ZINC001193684175 782013563 /nfs/dbraw/zinc/01/35/63/782013563.db2.gz ZOXHBNZUMNHXKI-XVYDVKMFSA-N 1 1 319.291 -1.428 20 0 DAADMO Cc1nc[nH]c1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193694078 782013679 /nfs/dbraw/zinc/01/36/79/782013679.db2.gz BUFSTQQGNHRKFA-JTQLQIEISA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1nc[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193694078 782013689 /nfs/dbraw/zinc/01/36/89/782013689.db2.gz BUFSTQQGNHRKFA-JTQLQIEISA-N 1 1 322.369 -1.012 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791911 782015406 /nfs/dbraw/zinc/01/54/06/782015406.db2.gz SVPYSUWJBMXSNE-CHWSQXEVSA-N 1 1 322.413 -1.039 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001193787145 782015496 /nfs/dbraw/zinc/01/54/96/782015496.db2.gz OZVZSPMBYPLCLO-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CN(CCF)C[C@H]1O ZINC001193756375 782015517 /nfs/dbraw/zinc/01/55/17/782015517.db2.gz PYPIMQWBTFJIGD-JHJVBQTASA-N 1 1 313.377 -1.056 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001193787143 782015650 /nfs/dbraw/zinc/01/56/50/782015650.db2.gz OZVZSPMBYPLCLO-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193756898 782015867 /nfs/dbraw/zinc/01/58/67/782015867.db2.gz VHEIXZJJNMVMFZ-JHJVBQTASA-N 1 1 311.386 -2.033 20 0 DAADMO CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193756898 782015874 /nfs/dbraw/zinc/01/58/74/782015874.db2.gz VHEIXZJJNMVMFZ-JHJVBQTASA-N 1 1 311.386 -2.033 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890309 782017226 /nfs/dbraw/zinc/01/72/26/782017226.db2.gz WAIBIAPSPGQSPP-SNVBAGLBSA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890309 782017235 /nfs/dbraw/zinc/01/72/35/782017235.db2.gz WAIBIAPSPGQSPP-SNVBAGLBSA-N 1 1 323.357 -1.734 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001193821488 782017511 /nfs/dbraw/zinc/01/75/11/782017511.db2.gz KLQUVTHIOBSLSX-ZIAGYGMSSA-N 1 1 322.413 -1.039 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001193929454 782017543 /nfs/dbraw/zinc/01/75/43/782017543.db2.gz GWHQTEZHBHEEET-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193821398 782017662 /nfs/dbraw/zinc/01/76/62/782017662.db2.gz GNUPGUPZPBYUNT-ZIAGYGMSSA-N 1 1 322.413 -1.039 20 0 DAADMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193766155 782016324 /nfs/dbraw/zinc/01/63/24/782016324.db2.gz OTNGIQRDCYJPMB-CHWSQXEVSA-N 1 1 324.381 -1.115 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193786905 782016624 /nfs/dbraw/zinc/01/66/24/782016624.db2.gz MRBAAVFJHZOAMZ-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001193786905 782016636 /nfs/dbraw/zinc/01/66/36/782016636.db2.gz MRBAAVFJHZOAMZ-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001193929450 782018221 /nfs/dbraw/zinc/01/82/21/782018221.db2.gz GWHQTEZHBHEEET-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890414 782018237 /nfs/dbraw/zinc/01/82/37/782018237.db2.gz XCWDTEBYHHNWMO-UWVGGRQHSA-N 1 1 323.357 -1.606 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001193857945 782019058 /nfs/dbraw/zinc/01/90/58/782019058.db2.gz MIJJAQIEMKQWPT-DMDPSCGWSA-N 1 1 324.381 -1.389 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)N(C)CCC(=O)OC ZINC000088772302 262484403 /nfs/dbraw/zinc/48/44/03/262484403.db2.gz PSCHYXGSQAGDNS-UHFFFAOYSA-N 1 1 311.404 -1.106 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)N(C)CCC(=O)OC ZINC000088772302 262484405 /nfs/dbraw/zinc/48/44/05/262484405.db2.gz PSCHYXGSQAGDNS-UHFFFAOYSA-N 1 1 311.404 -1.106 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000330454731 262505088 /nfs/dbraw/zinc/50/50/88/262505088.db2.gz MPPDBCCTRSEWFM-LLVKDONJSA-N 1 1 322.431 -1.487 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940756 782020955 /nfs/dbraw/zinc/02/09/55/782020955.db2.gz FQLDKPGRSIJJKM-YUSALJHKSA-N 1 1 315.395 -1.146 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892371 782021059 /nfs/dbraw/zinc/02/10/59/782021059.db2.gz LMXRDVOPFRPOJH-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000407951651 262614978 /nfs/dbraw/zinc/61/49/78/262614978.db2.gz RAFRIWBZINEOJX-VXGBXAGGSA-N 1 1 307.416 -1.697 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001193961498 782022005 /nfs/dbraw/zinc/02/20/05/782022005.db2.gz SCCFZDVWVXFNMQ-OPRDCNLKSA-N 1 1 314.342 -1.794 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193954195 782022341 /nfs/dbraw/zinc/02/23/41/782022341.db2.gz SPIWSVHBDHARNP-HBNTYKKESA-N 1 1 312.326 -2.036 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916739 782023197 /nfs/dbraw/zinc/02/31/97/782023197.db2.gz YGSBXEFPLXTKSB-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916739 782023201 /nfs/dbraw/zinc/02/32/01/782023201.db2.gz YGSBXEFPLXTKSB-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193914669 782023232 /nfs/dbraw/zinc/02/32/32/782023232.db2.gz LXRGQELQTXXVJA-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193914669 782023235 /nfs/dbraw/zinc/02/32/35/782023235.db2.gz LXRGQELQTXXVJA-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916748 782023300 /nfs/dbraw/zinc/02/33/00/782023300.db2.gz YIASPAFOKNCTCO-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916748 782023305 /nfs/dbraw/zinc/02/33/05/782023305.db2.gz YIASPAFOKNCTCO-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495596711 262652147 /nfs/dbraw/zinc/65/21/47/262652147.db2.gz SEKMLOPTUNUTCO-JTQLQIEISA-N 1 1 306.388 -1.045 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)CN1CCCC1=O ZINC000674463987 545868063 /nfs/dbraw/zinc/86/80/63/545868063.db2.gz WLDNRGRYFNBXIN-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)CN1CCCC1=O ZINC000674463987 545868065 /nfs/dbraw/zinc/86/80/65/545868065.db2.gz WLDNRGRYFNBXIN-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676287104 545872036 /nfs/dbraw/zinc/87/20/36/545872036.db2.gz OLTMBJADZAOQGF-RKDXNWHRSA-N 1 1 312.326 -1.758 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676287104 545872039 /nfs/dbraw/zinc/87/20/39/545872039.db2.gz OLTMBJADZAOQGF-RKDXNWHRSA-N 1 1 312.326 -1.758 20 0 DAADMO COCC(=O)NC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000678514702 545877531 /nfs/dbraw/zinc/87/75/31/545877531.db2.gz QEVJRSXSKLKKFD-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC000679790010 545881319 /nfs/dbraw/zinc/88/13/19/545881319.db2.gz BSBSYQFLQHJGIC-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000679762744 545881955 /nfs/dbraw/zinc/88/19/55/545881955.db2.gz HTLKMYPTZGAFRR-WOPDTQHZSA-N 1 1 314.386 -1.138 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000679762744 545881961 /nfs/dbraw/zinc/88/19/61/545881961.db2.gz HTLKMYPTZGAFRR-WOPDTQHZSA-N 1 1 314.386 -1.138 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000680217931 545882059 /nfs/dbraw/zinc/88/20/59/545882059.db2.gz JVFURYCTQYITGR-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000681123444 545884753 /nfs/dbraw/zinc/88/47/53/545884753.db2.gz PZRQMBDPSPCIFZ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685336199 545893081 /nfs/dbraw/zinc/89/30/81/545893081.db2.gz LZQQBBPGEMPSAQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336199 545893084 /nfs/dbraw/zinc/89/30/84/545893084.db2.gz LZQQBBPGEMPSAQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001194011087 782023803 /nfs/dbraw/zinc/02/38/03/782023803.db2.gz ORIBARUHFJEAKW-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001194011087 782023795 /nfs/dbraw/zinc/02/37/95/782023795.db2.gz ORIBARUHFJEAKW-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO CC(C)(C)c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001194013829 782024334 /nfs/dbraw/zinc/02/43/34/782024334.db2.gz NXIRCHIADNDVDC-VWYCJHECSA-N 1 1 305.386 -1.093 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941622 782024409 /nfs/dbraw/zinc/02/44/09/782024409.db2.gz YMDWGBBWFXYZME-GHMZBOCLSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941622 782024415 /nfs/dbraw/zinc/02/44/15/782024415.db2.gz YMDWGBBWFXYZME-GHMZBOCLSA-N 1 1 317.386 -1.678 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001193977895 782024754 /nfs/dbraw/zinc/02/47/54/782024754.db2.gz DMTKCIINRDBCOL-IRCOFANPSA-N 1 1 315.370 -2.176 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 ZINC001194017063 782025021 /nfs/dbraw/zinc/02/50/21/782025021.db2.gz YQBXYDLJNXVGRN-JMJZKYOTSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 ZINC001194017063 782025030 /nfs/dbraw/zinc/02/50/30/782025030.db2.gz YQBXYDLJNXVGRN-JMJZKYOTSA-N 1 1 301.368 -1.075 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001194088458 782026263 /nfs/dbraw/zinc/02/62/63/782026263.db2.gz SPMOXPCEBRVPNQ-IHRRRGAJSA-N 1 1 318.381 -1.545 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001194054693 782026300 /nfs/dbraw/zinc/02/63/00/782026300.db2.gz UBXNZFHJDRZDRC-AAVRWANBSA-N 1 1 315.414 -1.097 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060591 782026682 /nfs/dbraw/zinc/02/66/82/782026682.db2.gz MWMDKODSEZPGMP-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060592 782027143 /nfs/dbraw/zinc/02/71/43/782027143.db2.gz MWMDKODSEZPGMP-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001194090188 782028413 /nfs/dbraw/zinc/02/84/13/782028413.db2.gz WPYSIDMTWSFBKW-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO COC(=O)c1cc(F)cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001194151930 782028192 /nfs/dbraw/zinc/02/81/92/782028192.db2.gz WCMOIHPVRLDJPN-SRVKXCTJSA-N 1 1 323.328 -1.255 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001194201066 782030645 /nfs/dbraw/zinc/03/06/45/782030645.db2.gz RHLBIQYBUKSJPE-LLVKDONJSA-N 1 1 319.365 -1.171 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194256438 782032667 /nfs/dbraw/zinc/03/26/67/782032667.db2.gz QNLPHRQSLPUGLL-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238821 782033106 /nfs/dbraw/zinc/03/31/06/782033106.db2.gz QUJJIOZPBMLAHA-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194256846 782033493 /nfs/dbraw/zinc/03/34/93/782033493.db2.gz UUNAOQSXKHQYMM-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001194329264 782036429 /nfs/dbraw/zinc/03/64/29/782036429.db2.gz NNUBJUXTIYXTNC-OPRDCNLKSA-N 1 1 321.324 -1.435 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089641 782029459 /nfs/dbraw/zinc/02/94/59/782029459.db2.gz MVHCFAZVEVEJBY-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089641 782029462 /nfs/dbraw/zinc/02/94/62/782029462.db2.gz MVHCFAZVEVEJBY-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001194200890 782030051 /nfs/dbraw/zinc/03/00/51/782030051.db2.gz POYRDVTWBXXLDT-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194184903 782030274 /nfs/dbraw/zinc/03/02/74/782030274.db2.gz OJPJSBOFBLASMH-QJPTWQEYSA-N 1 1 320.411 -1.381 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194184903 782030282 /nfs/dbraw/zinc/03/02/82/782030282.db2.gz OJPJSBOFBLASMH-QJPTWQEYSA-N 1 1 320.411 -1.381 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001194201066 782030640 /nfs/dbraw/zinc/03/06/40/782030640.db2.gz RHLBIQYBUKSJPE-LLVKDONJSA-N 1 1 319.365 -1.171 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001194390643 782037113 /nfs/dbraw/zinc/03/71/13/782037113.db2.gz CSTQBMSROMMDQR-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001194471787 782037198 /nfs/dbraw/zinc/03/71/98/782037198.db2.gz OSZBSFXHDXCVSE-MRVPVSSYSA-N 1 1 310.314 -1.281 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001194471787 782037208 /nfs/dbraw/zinc/03/72/08/782037208.db2.gz OSZBSFXHDXCVSE-MRVPVSSYSA-N 1 1 310.314 -1.281 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1)OC ZINC001194329510 782037356 /nfs/dbraw/zinc/03/73/56/782037356.db2.gz QBXDNHYDQAWCMW-OPRDCNLKSA-N 1 1 323.340 -1.046 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000371536135 262606374 /nfs/dbraw/zinc/60/63/74/262606374.db2.gz TUQSDJGWAHUDOF-UWVGGRQHSA-N 1 1 308.338 -1.040 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434978036 262631603 /nfs/dbraw/zinc/63/16/03/262631603.db2.gz LFPZWUQMZIIAPS-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441229446 262634183 /nfs/dbraw/zinc/63/41/83/262634183.db2.gz SZBZMYFIYCXAJR-CABZTGNLSA-N 1 1 316.354 -1.090 20 0 DAADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459872317 262645089 /nfs/dbraw/zinc/64/50/89/262645089.db2.gz UVUACPUZAXKFMM-OLZOCXBDSA-N 1 1 313.398 -1.402 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+](CCO)CCCO)CC1 ZINC000491453008 262648432 /nfs/dbraw/zinc/64/84/32/262648432.db2.gz QCAGGZIRLOMJAF-UHFFFAOYSA-N 1 1 317.386 -1.036 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000491453008 262648433 /nfs/dbraw/zinc/64/84/33/262648433.db2.gz QCAGGZIRLOMJAF-UHFFFAOYSA-N 1 1 317.386 -1.036 20 0 DAADMO COC(=O)N[C@@H](C)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000494073495 262650663 /nfs/dbraw/zinc/65/06/63/262650663.db2.gz ZJLWUONQHIXNMS-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO CO[C@@H]1COC[C@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000517363995 262657849 /nfs/dbraw/zinc/65/78/49/262657849.db2.gz OYOBPSRCTCIEIP-YRGRVCCFSA-N 1 1 317.386 -1.217 20 0 DAADMO Cn1c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc(=O)n(C)c1=O ZINC000329056834 263217464 /nfs/dbraw/zinc/21/74/64/263217464.db2.gz YCABWRMPJTXQDL-CHWSQXEVSA-N 1 1 308.382 -1.011 20 0 DAADMO C[C@H]1C[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000348631290 263218131 /nfs/dbraw/zinc/21/81/31/263218131.db2.gz ZJDOBTGHOMFZFU-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@H]1C[N@@H+](C)CCN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000348631290 263218133 /nfs/dbraw/zinc/21/81/33/263218133.db2.gz ZJDOBTGHOMFZFU-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419352002 263218694 /nfs/dbraw/zinc/21/86/94/263218694.db2.gz IGRLPCFVIDQCAN-RYUDHWBXSA-N 1 1 300.403 -1.124 20 0 DAADMO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nn[n-]n1 ZINC000346357644 263219662 /nfs/dbraw/zinc/21/96/62/263219662.db2.gz YHHDFKICXRIFJW-JTQLQIEISA-N 1 1 323.357 -1.149 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000333256017 263221047 /nfs/dbraw/zinc/22/10/47/263221047.db2.gz LFOXBEDOWNQIQS-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000367103083 263221364 /nfs/dbraw/zinc/22/13/64/263221364.db2.gz LEZSMAICCRJURY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC000329544426 263222282 /nfs/dbraw/zinc/22/22/82/263222282.db2.gz GAFUIUDVXDSHTO-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO CCOCCOC[C@@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000361626924 263223504 /nfs/dbraw/zinc/22/35/04/263223504.db2.gz YTACOGLZSTXYFZ-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@](O)(CNC(=O)NC[C@@H]1COCCO1)C[NH+]1CCOCC1 ZINC000524781861 263224117 /nfs/dbraw/zinc/22/41/17/263224117.db2.gz URHMHFGEEJEKAR-OCCSQVGLSA-N 1 1 317.386 -1.216 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)c2nn[nH]n2)CC1=O ZINC000354804626 263226239 /nfs/dbraw/zinc/22/62/39/263226239.db2.gz PGHQVJHXZBVXBM-VIFPVBQESA-N 1 1 309.374 -1.039 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)NCC[N@@H+](CC)CCO ZINC000458958733 263227327 /nfs/dbraw/zinc/22/73/27/263227327.db2.gz QASUNUIGWOLQHV-LLVKDONJSA-N 1 1 324.447 -1.072 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000514989344 263227526 /nfs/dbraw/zinc/22/75/26/263227526.db2.gz CYEDEPOLPFDATL-RYUDHWBXSA-N 1 1 309.432 -1.451 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC(=O)N1 ZINC000369348354 263228110 /nfs/dbraw/zinc/22/81/10/263228110.db2.gz SRJPVZVCAWRJSS-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCNC(=O)C2)CC1 ZINC000408119321 263228590 /nfs/dbraw/zinc/22/85/90/263228590.db2.gz GOGHGOANJGBNFH-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000408402163 263229178 /nfs/dbraw/zinc/22/91/78/263229178.db2.gz GSTUDWVBQCPDQB-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000345343461 263232318 /nfs/dbraw/zinc/23/23/18/263232318.db2.gz FHGJVGFOQNQKGP-GFCCVEGCSA-N 1 1 307.416 -1.048 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000345343461 263232320 /nfs/dbraw/zinc/23/23/20/263232320.db2.gz FHGJVGFOQNQKGP-GFCCVEGCSA-N 1 1 307.416 -1.048 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000276439282 263232475 /nfs/dbraw/zinc/23/24/75/263232475.db2.gz LBWJQWNSHDOBBB-OAHLLOKOSA-N 1 1 321.333 -1.046 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000276439282 263232477 /nfs/dbraw/zinc/23/24/77/263232477.db2.gz LBWJQWNSHDOBBB-OAHLLOKOSA-N 1 1 321.333 -1.046 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000434909379 263233152 /nfs/dbraw/zinc/23/31/52/263233152.db2.gz LPSSFMUHGJCHGV-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CNS(=O)(=O)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000408198331 263233165 /nfs/dbraw/zinc/23/31/65/263233165.db2.gz MKRHOELEFMXOAL-UHFFFAOYSA-N 1 1 306.432 -1.210 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000408198331 263233166 /nfs/dbraw/zinc/23/31/66/263233166.db2.gz MKRHOELEFMXOAL-UHFFFAOYSA-N 1 1 306.432 -1.210 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262332010 263233914 /nfs/dbraw/zinc/23/39/14/263233914.db2.gz SIMVFNHWNGJXCU-NEPJUHHUSA-N 1 1 321.381 -1.194 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357893767 263233951 /nfs/dbraw/zinc/23/39/51/263233951.db2.gz WKFZQHZYNXBOGU-SECBINFHSA-N 1 1 306.388 -1.167 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000333819408 263234320 /nfs/dbraw/zinc/23/43/20/263234320.db2.gz KQTHMBVYVXQDJM-KGLIPLIRSA-N 1 1 313.446 -1.012 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000330643103 263234758 /nfs/dbraw/zinc/23/47/58/263234758.db2.gz XTKQYLWWYUDKIE-SECBINFHSA-N 1 1 304.372 -1.244 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000330643103 263234759 /nfs/dbraw/zinc/23/47/59/263234759.db2.gz XTKQYLWWYUDKIE-SECBINFHSA-N 1 1 304.372 -1.244 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000408442989 263235280 /nfs/dbraw/zinc/23/52/80/263235280.db2.gz NSYMEGDLPPKZCY-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000408442989 263235282 /nfs/dbraw/zinc/23/52/82/263235282.db2.gz NSYMEGDLPPKZCY-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CCOC(=O)NCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000492865361 263235386 /nfs/dbraw/zinc/23/53/86/263235386.db2.gz MGEYVQQQMUMIRJ-ZDUSSCGKSA-N 1 1 303.359 -1.068 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](CO)O1 ZINC000355123651 263235624 /nfs/dbraw/zinc/23/56/24/263235624.db2.gz BIQXHAJWDNWWMK-NQBHXWOUSA-N 1 1 311.382 -1.053 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCO[C@H](CO)C1 ZINC000332039763 263235654 /nfs/dbraw/zinc/23/56/54/263235654.db2.gz KIZLAJKJDVYMSB-YNEHKIRRSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000518357627 263236035 /nfs/dbraw/zinc/23/60/35/263236035.db2.gz UZNUOODOVVQUNZ-CQSZACIVSA-N 1 1 324.425 -1.059 20 0 DAADMO COCCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000362368939 263236563 /nfs/dbraw/zinc/23/65/63/263236563.db2.gz NWIMOWLURRFVHW-ZDUSSCGKSA-N 1 1 310.398 -1.307 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000331395693 263236591 /nfs/dbraw/zinc/23/65/91/263236591.db2.gz NRPXGMARNWHYAL-KGYLQXTDSA-N 1 1 311.382 -1.195 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428789884 263236608 /nfs/dbraw/zinc/23/66/08/263236608.db2.gz PQVFREDBPSIYFS-SNVBAGLBSA-N 1 1 321.399 -1.369 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358057165 263237520 /nfs/dbraw/zinc/23/75/20/263237520.db2.gz ONAHMDACXUPLCL-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358666231 263238728 /nfs/dbraw/zinc/23/87/28/263238728.db2.gz TWKRBAMBOQSNQI-NSHDSACASA-N 1 1 308.404 -1.709 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)C1 ZINC000347306105 263239274 /nfs/dbraw/zinc/23/92/74/263239274.db2.gz APCANSHLIKLZPD-MCIONIFRSA-N 1 1 313.398 -1.069 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC000345225211 263239681 /nfs/dbraw/zinc/23/96/81/263239681.db2.gz UXKQDIDOGQUEMW-LBPRGKRZSA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000174442469 263241325 /nfs/dbraw/zinc/24/13/25/263241325.db2.gz VUHVDSPATJGZLC-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000174442469 263241329 /nfs/dbraw/zinc/24/13/29/263241329.db2.gz VUHVDSPATJGZLC-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356253380 263241394 /nfs/dbraw/zinc/24/13/94/263241394.db2.gz NHJMLLHYFUUKFC-GFCCVEGCSA-N 1 1 304.416 -1.016 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419246550 263242290 /nfs/dbraw/zinc/24/22/90/263242290.db2.gz MIPVXWZNOSRVKR-BDAKNGLRSA-N 1 1 318.324 -1.034 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000368838843 263242708 /nfs/dbraw/zinc/24/27/08/263242708.db2.gz OTFAEIDBBUNYCU-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428549236 263243986 /nfs/dbraw/zinc/24/39/86/263243986.db2.gz SDLXXSDKYGRQBA-GMXVVIOVSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428549236 263243989 /nfs/dbraw/zinc/24/39/89/263243989.db2.gz SDLXXSDKYGRQBA-GMXVVIOVSA-N 1 1 313.398 -1.213 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000436997289 263244813 /nfs/dbraw/zinc/24/48/13/263244813.db2.gz HXFPUPIKIVHYMU-NSHDSACASA-N 1 1 320.349 -1.121 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)nn1 ZINC000355068239 263246095 /nfs/dbraw/zinc/24/60/95/263246095.db2.gz VZUPOWDAYXVSCA-QMMMGPOBSA-N 1 1 310.314 -1.104 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC000444308926 263246450 /nfs/dbraw/zinc/24/64/50/263246450.db2.gz NUOWMQDBGOBRSB-UHFFFAOYSA-N 1 1 320.340 -1.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000347108890 263246922 /nfs/dbraw/zinc/24/69/22/263246922.db2.gz QTPPNMKLXHZGNX-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@](O)(CNC(=O)c1ccc(C(N)=O)nc1)C[NH+]1CCOCC1 ZINC000358350919 263247240 /nfs/dbraw/zinc/24/72/40/263247240.db2.gz FIRGQFWYEHXKOY-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO COCCNc1nc(NCC2COC2)nc(NCC2COC2)[nH+]1 ZINC000528225213 263248590 /nfs/dbraw/zinc/24/85/90/263248590.db2.gz GCNCCLYRJKTJLI-UHFFFAOYSA-N 1 1 324.385 -1.688 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(C(=O)CN3CCCS3(=O)=O)[C@H]2C1 ZINC000328932073 263249006 /nfs/dbraw/zinc/24/90/06/263249006.db2.gz BKYKKYWNMMWZES-NWDGAFQWSA-N 1 1 317.411 -1.047 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000340925459 263249306 /nfs/dbraw/zinc/24/93/06/263249306.db2.gz PRYUFGGXWUAIHE-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000340925459 263249308 /nfs/dbraw/zinc/24/93/08/263249308.db2.gz PRYUFGGXWUAIHE-MNOVXSKESA-N 1 1 305.400 -1.191 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1CC1 ZINC000359435140 263250016 /nfs/dbraw/zinc/25/00/16/263250016.db2.gz WCLDUGXBMCWGRE-SECBINFHSA-N 1 1 320.415 -1.620 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000355144167 263251920 /nfs/dbraw/zinc/25/19/20/263251920.db2.gz KBMJPLGREOKXPU-KOLCDFICSA-N 1 1 310.354 -1.948 20 0 DAADMO COC(=O)C[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)OC ZINC000348418375 263253205 /nfs/dbraw/zinc/25/32/05/263253205.db2.gz UUPROGUNIABTOP-MNOVXSKESA-N 1 1 315.370 -1.157 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000341912224 263254799 /nfs/dbraw/zinc/25/47/99/263254799.db2.gz GUJBXXKBMSTQGX-UHFFFAOYSA-N 1 1 322.431 -1.404 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000332571192 263254804 /nfs/dbraw/zinc/25/48/04/263254804.db2.gz BBQFVHHSZHEIPV-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000407951649 263255132 /nfs/dbraw/zinc/25/51/32/263255132.db2.gz RAFRIWBZINEOJX-NWDGAFQWSA-N 1 1 307.416 -1.697 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000332606499 263255193 /nfs/dbraw/zinc/25/51/93/263255193.db2.gz JNDATLSTHWRTOY-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000332606499 263255194 /nfs/dbraw/zinc/25/51/94/263255194.db2.gz JNDATLSTHWRTOY-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827517 263255234 /nfs/dbraw/zinc/25/52/34/263255234.db2.gz LTSDBJUIFMYCSQ-VGMNWLOBSA-N 1 1 310.354 -1.450 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827517 263255237 /nfs/dbraw/zinc/25/52/37/263255237.db2.gz LTSDBJUIFMYCSQ-VGMNWLOBSA-N 1 1 310.354 -1.450 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCO)CC1 ZINC000340806275 263255282 /nfs/dbraw/zinc/25/52/82/263255282.db2.gz WWOXOPPYMXOXNL-ZDUSSCGKSA-N 1 1 314.430 -1.173 20 0 DAADMO CC(=O)NC[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429673933 263255918 /nfs/dbraw/zinc/25/59/18/263255918.db2.gz BQCFAGWLNRCUPJ-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000343288635 263256196 /nfs/dbraw/zinc/25/61/96/263256196.db2.gz RAXNFVOCJRDNSX-WDEREUQCSA-N 1 1 301.387 -1.213 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000495171719 263256627 /nfs/dbraw/zinc/25/66/27/263256627.db2.gz GTHPVCUSOILVKM-MRVPVSSYSA-N 1 1 308.360 -1.066 20 0 DAADMO O=C([C@@H]1COCCN1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040100 263257066 /nfs/dbraw/zinc/25/70/66/263257066.db2.gz LAQDSHLJOCNHLR-NSHDSACASA-N 1 1 318.399 -2.579 20 0 DAADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC[N@H+]1C ZINC000442286304 263258901 /nfs/dbraw/zinc/25/89/01/263258901.db2.gz UIOMEPDQJJBBJG-ZJUUUORDSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC[N@@H+]1C ZINC000442286304 263258904 /nfs/dbraw/zinc/25/89/04/263258904.db2.gz UIOMEPDQJJBBJG-ZJUUUORDSA-N 1 1 322.369 -1.142 20 0 DAADMO Cn1ccnc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1=O ZINC000347203196 263259007 /nfs/dbraw/zinc/25/90/07/263259007.db2.gz LHLOGYIIFPFJBS-GFCCVEGCSA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1ccnc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1=O ZINC000347203196 263259009 /nfs/dbraw/zinc/25/90/09/263259009.db2.gz LHLOGYIIFPFJBS-GFCCVEGCSA-N 1 1 321.381 -1.241 20 0 DAADMO CNC(=O)C[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000330513274 263260359 /nfs/dbraw/zinc/26/03/59/263260359.db2.gz DCLBBVKXURIONI-UHFFFAOYSA-N 1 1 308.342 -1.889 20 0 DAADMO CNC(=O)C[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000330513274 263260361 /nfs/dbraw/zinc/26/03/61/263260361.db2.gz DCLBBVKXURIONI-UHFFFAOYSA-N 1 1 308.342 -1.889 20 0 DAADMO CC[C@@](C)([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(N)=O ZINC000428768595 263260606 /nfs/dbraw/zinc/26/06/06/263260606.db2.gz NPDFCGZVUUYQQM-CYBMUJFWSA-N 1 1 311.342 -1.908 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000367817070 263264390 /nfs/dbraw/zinc/26/43/90/263264390.db2.gz WKTMTLJAOYANJK-JTQLQIEISA-N 1 1 302.327 -1.070 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000367817070 263264391 /nfs/dbraw/zinc/26/43/91/263264391.db2.gz WKTMTLJAOYANJK-JTQLQIEISA-N 1 1 302.327 -1.070 20 0 DAADMO CN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347968700 263265346 /nfs/dbraw/zinc/26/53/46/263265346.db2.gz OVTDDDOTRPBQIN-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397210 263266432 /nfs/dbraw/zinc/26/64/32/263266432.db2.gz DUERPGRRXVIDLF-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397210 263266436 /nfs/dbraw/zinc/26/64/36/263266436.db2.gz DUERPGRRXVIDLF-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)[C@@H](C)CO ZINC000443334010 263266782 /nfs/dbraw/zinc/26/67/82/263266782.db2.gz LFQRLTDOAUGDHD-SRVKXCTJSA-N 1 1 301.387 -1.226 20 0 DAADMO C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCNCC2)CCSC1 ZINC000419581282 263266804 /nfs/dbraw/zinc/26/68/04/263266804.db2.gz JIDVPUWWHBOITQ-CYBMUJFWSA-N 1 1 300.428 -1.028 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345523288 263267062 /nfs/dbraw/zinc/26/70/62/263267062.db2.gz URERWXZDNSAVLD-WDEREUQCSA-N 1 1 302.375 -1.511 20 0 DAADMO C[C@@H](CNC(=O)N1CCN(CC(N)=O)C(=O)C1)[N@@H+](C)C1CC1 ZINC000458279379 263267293 /nfs/dbraw/zinc/26/72/93/263267293.db2.gz BURVEHRDIVSZQS-JTQLQIEISA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H]1CO ZINC000347971958 263267314 /nfs/dbraw/zinc/26/73/14/263267314.db2.gz RMZZDIPMOOXSOD-AGIUHOORSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H](CNC(=O)NCCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC000350079446 263267398 /nfs/dbraw/zinc/26/73/98/263267398.db2.gz QMIFCULPEPVAIP-NSHDSACASA-N 1 1 322.431 -1.197 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000459813455 263267996 /nfs/dbraw/zinc/26/79/96/263267996.db2.gz JIWWXUWMERUQTM-TXEJJXNPSA-N 1 1 301.387 -1.259 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000459813455 263267998 /nfs/dbraw/zinc/26/79/98/263267998.db2.gz JIWWXUWMERUQTM-TXEJJXNPSA-N 1 1 301.387 -1.259 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347102702 263268223 /nfs/dbraw/zinc/26/82/23/263268223.db2.gz MYJCJNXXYDJAGM-UWVGGRQHSA-N 1 1 301.343 -1.418 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359406144 263269297 /nfs/dbraw/zinc/26/92/97/263269297.db2.gz ASXVDLMMOWIHTG-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCO)CC1 ZINC000340806270 263269348 /nfs/dbraw/zinc/26/93/48/263269348.db2.gz WWOXOPPYMXOXNL-CYBMUJFWSA-N 1 1 314.430 -1.173 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)S(N)(=O)=O ZINC000439348963 263270434 /nfs/dbraw/zinc/27/04/34/263270434.db2.gz LOISDLPDLPGQNV-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413895187 263271895 /nfs/dbraw/zinc/27/18/95/263271895.db2.gz DQLAIXWEOKGYMW-SNVBAGLBSA-N 1 1 321.399 -1.511 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cncnc1N(C)C ZINC000346342610 263272791 /nfs/dbraw/zinc/27/27/91/263272791.db2.gz WDSNSSWJYQXULD-UHFFFAOYSA-N 1 1 324.385 -1.089 20 0 DAADMO COC(=O)NCCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000491969882 263274831 /nfs/dbraw/zinc/27/48/31/263274831.db2.gz VWUZHMZIFVQGFP-ZDUSSCGKSA-N 1 1 303.359 -1.068 20 0 DAADMO CCOC[C@H](O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000355946031 263275027 /nfs/dbraw/zinc/27/50/27/263275027.db2.gz GBCSSEYZCYARMU-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CNC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430670988 263275216 /nfs/dbraw/zinc/27/52/16/263275216.db2.gz WWCAIRPFMLWEPS-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(c2cnccn2)CC1 ZINC000042570386 263276765 /nfs/dbraw/zinc/27/67/65/263276765.db2.gz LEVPCOXWCIYLAE-UHFFFAOYSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(c2cnccn2)CC1 ZINC000042570386 263276769 /nfs/dbraw/zinc/27/67/69/263276769.db2.gz LEVPCOXWCIYLAE-UHFFFAOYSA-N 1 1 318.381 -1.053 20 0 DAADMO COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353204722 263277389 /nfs/dbraw/zinc/27/73/89/263277389.db2.gz NLXXALMEMGXGKI-ZJUUUORDSA-N 1 1 300.359 -1.715 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[NH+]2[C@@H](CO)CC[C@@H]2CO)cn1 ZINC000347269868 263278710 /nfs/dbraw/zinc/27/87/10/263278710.db2.gz GXEPAXUVJDFMFC-GHMZBOCLSA-N 1 1 318.399 -1.484 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000174831105 263280097 /nfs/dbraw/zinc/28/00/97/263280097.db2.gz AZUULBBUFKUGLL-NWDGAFQWSA-N 1 1 320.459 -1.076 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347974930 263280218 /nfs/dbraw/zinc/28/02/18/263280218.db2.gz WOPBXMMCGQOJSV-QWRGUYRKSA-N 1 1 311.386 -2.305 20 0 DAADMO C[C@@](O)(CNC(=O)c1ccc(C(N)=O)nc1)C[NH+]1CCOCC1 ZINC000358350920 263280949 /nfs/dbraw/zinc/28/09/49/263280949.db2.gz FIRGQFWYEHXKOY-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000330649411 263280965 /nfs/dbraw/zinc/28/09/65/263280965.db2.gz JILNRDBSFNAGIP-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CCN(c2cnccn2)CC1 ZINC000487915053 263281198 /nfs/dbraw/zinc/28/11/98/263281198.db2.gz PQAGPJHKCRLILA-UHFFFAOYSA-N 1 1 309.370 -1.588 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358198026 263281637 /nfs/dbraw/zinc/28/16/37/263281637.db2.gz PFDPGYXQSBMUBP-JTQLQIEISA-N 1 1 321.399 -1.334 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cncnc1OC ZINC000346297366 263282051 /nfs/dbraw/zinc/28/20/51/263282051.db2.gz IHBJAMYKRMTDDJ-UHFFFAOYSA-N 1 1 311.342 -1.146 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000420149409 263282531 /nfs/dbraw/zinc/28/25/31/263282531.db2.gz HUROQDQFZVIXAT-HTQZYQBOSA-N 1 1 323.296 -1.515 20 0 DAADMO CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@@H+]1C[C@H](C)O ZINC000331250755 263283320 /nfs/dbraw/zinc/28/33/20/263283320.db2.gz SKSVKKNJWRSWLT-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@H+]1C[C@H](C)O ZINC000331250755 263283324 /nfs/dbraw/zinc/28/33/24/263283324.db2.gz SKSVKKNJWRSWLT-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000367045396 263284458 /nfs/dbraw/zinc/28/44/58/263284458.db2.gz LETGIVXVWIBFOS-KBPBESRZSA-N 1 1 310.398 -1.260 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000348604213 263285194 /nfs/dbraw/zinc/28/51/94/263285194.db2.gz XYNHGARCOMJHFW-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)S(C)(=O)=O ZINC000362661952 263285662 /nfs/dbraw/zinc/28/56/62/263285662.db2.gz HEQYNYUJAOLBRV-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1=NN(CCO)C(=O)CC1 ZINC000362435312 263285709 /nfs/dbraw/zinc/28/57/09/263285709.db2.gz VANCJYBFJKPXOH-NEPJUHHUSA-N 1 1 324.381 -1.064 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418926928 263286073 /nfs/dbraw/zinc/28/60/73/263286073.db2.gz SDNPRSJANZCFBE-NEPJUHHUSA-N 1 1 300.403 -1.077 20 0 DAADMO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529331701 263286285 /nfs/dbraw/zinc/28/62/85/263286285.db2.gz BRMUMZBEIWHBST-GFCCVEGCSA-N 1 1 312.418 -1.066 20 0 DAADMO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)NC(=O)NC2CC2)C1 ZINC000262021562 263286574 /nfs/dbraw/zinc/28/65/74/263286574.db2.gz XRADZLLNXBZUKW-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000443328752 263287219 /nfs/dbraw/zinc/28/72/19/263287219.db2.gz GVHHQMVWEJUZLP-AXFHLTTASA-N 1 1 305.375 -1.089 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCN1CCNC(=O)C1 ZINC000358454737 263287357 /nfs/dbraw/zinc/28/73/57/263287357.db2.gz OHULGEHDVMKHBY-UHFFFAOYSA-N 1 1 301.391 -1.704 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430621231 263288570 /nfs/dbraw/zinc/28/85/70/263288570.db2.gz CLJKZDAWGPUXSE-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430621231 263288571 /nfs/dbraw/zinc/28/85/71/263288571.db2.gz CLJKZDAWGPUXSE-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CCC[N@H+]1C ZINC000347753086 263288959 /nfs/dbraw/zinc/28/89/59/263288959.db2.gz CLPJVUWGFANZGI-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000360188874 263289456 /nfs/dbraw/zinc/28/94/56/263289456.db2.gz NZXKWKIVTTZKDS-SNVBAGLBSA-N 1 1 314.411 -1.156 20 0 DAADMO CN(CCCNC(=O)C[N@@H+](C)CCC(N)=O)S(C)(=O)=O ZINC000353215061 263289776 /nfs/dbraw/zinc/28/97/76/263289776.db2.gz UMDFCWYNCWXHPC-UHFFFAOYSA-N 1 1 308.404 -1.809 20 0 DAADMO CCOCCOC1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000420152806 263289901 /nfs/dbraw/zinc/28/99/01/263289901.db2.gz PUGFSDXTWSXGQM-UHFFFAOYSA-N 1 1 309.313 -1.040 20 0 DAADMO O=C(CNC(=O)c1ncccc1[O-])NC[C@@H]1CN2CCN1CC2 ZINC000344597084 263290024 /nfs/dbraw/zinc/29/00/24/263290024.db2.gz WWODQDNQKUITAE-LLVKDONJSA-N 1 1 319.365 -1.367 20 0 DAADMO COC(=O)CN(CC(=O)OC)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000348872240 263290414 /nfs/dbraw/zinc/29/04/14/263290414.db2.gz BXQFNEZJTLKNDF-NSHDSACASA-N 1 1 315.370 -1.203 20 0 DAADMO NS(=O)(=O)c1cnn(CCC(=O)NCC(F)(F)C[NH3+])c1 ZINC000427157855 263290843 /nfs/dbraw/zinc/29/08/43/263290843.db2.gz NRFQGKCALSWUOI-UHFFFAOYSA-N 1 1 311.314 -1.369 20 0 DAADMO COCCN(C)S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000348105353 263293714 /nfs/dbraw/zinc/29/37/14/263293714.db2.gz RAVKRVSSVRDWEK-NSHDSACASA-N 1 1 322.431 -1.261 20 0 DAADMO COCCN(C)S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000348105353 263293717 /nfs/dbraw/zinc/29/37/17/263293717.db2.gz RAVKRVSSVRDWEK-NSHDSACASA-N 1 1 322.431 -1.261 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@H]2C1 ZINC000329034992 263294542 /nfs/dbraw/zinc/29/45/42/263294542.db2.gz QVBSESXJCFINNQ-WDEREUQCSA-N 1 1 308.338 -1.120 20 0 DAADMO C[N@H+]1CC[C@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000346855774 263295183 /nfs/dbraw/zinc/29/51/83/263295183.db2.gz VPSJBEZEQJQNEK-GFCCVEGCSA-N 1 1 318.443 -1.369 20 0 DAADMO CCN1CCN(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000428200005 263295248 /nfs/dbraw/zinc/29/52/48/263295248.db2.gz BIEZRLOTDOESFH-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000331166244 263295579 /nfs/dbraw/zinc/29/55/79/263295579.db2.gz BHAPGBYDRDBWTP-UHFFFAOYSA-N 1 1 301.387 -1.400 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000331166244 263295580 /nfs/dbraw/zinc/29/55/80/263295580.db2.gz BHAPGBYDRDBWTP-UHFFFAOYSA-N 1 1 301.387 -1.400 20 0 DAADMO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000167412358 263296242 /nfs/dbraw/zinc/29/62/42/263296242.db2.gz IQOLDIQYAPGZLL-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189387105 263296464 /nfs/dbraw/zinc/29/64/64/263296464.db2.gz HLAREDNXRLADBG-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000346560670 263296523 /nfs/dbraw/zinc/29/65/23/263296523.db2.gz JPCWUVFFAAFURS-VIFPVBQESA-N 1 1 322.369 -1.551 20 0 DAADMO COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000346181230 263296620 /nfs/dbraw/zinc/29/66/20/263296620.db2.gz YEQBEBMLKIECSJ-JTQLQIEISA-N 1 1 301.343 -1.809 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000371661150 263296652 /nfs/dbraw/zinc/29/66/52/263296652.db2.gz YAVIFNVXSXEYHW-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000371661150 263296655 /nfs/dbraw/zinc/29/66/55/263296655.db2.gz YAVIFNVXSXEYHW-UWVGGRQHSA-N 1 1 302.327 -1.072 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358405959 263297132 /nfs/dbraw/zinc/29/71/32/263297132.db2.gz FGEPEYDGIHOPIY-NWDGAFQWSA-N 1 1 320.411 -1.021 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000333733138 263297329 /nfs/dbraw/zinc/29/73/29/263297329.db2.gz WLQKLGMVCWXBBL-UONOGXRCSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000333733138 263297331 /nfs/dbraw/zinc/29/73/31/263297331.db2.gz WLQKLGMVCWXBBL-UONOGXRCSA-N 1 1 313.446 -1.012 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261995529 263297506 /nfs/dbraw/zinc/29/75/06/263297506.db2.gz TZJCWTPZWZEQRN-MXWKQRLJSA-N 1 1 305.400 -1.097 20 0 DAADMO CCO[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034539 263298469 /nfs/dbraw/zinc/29/84/69/263298469.db2.gz AUFZWWDRXBFXIJ-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[NH+]1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000360907940 263298493 /nfs/dbraw/zinc/29/84/93/263298493.db2.gz UNIXKHDEFWQMME-UHFFFAOYSA-N 1 1 322.431 -1.149 20 0 DAADMO CC(C)C[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345544939 263299056 /nfs/dbraw/zinc/29/90/56/263299056.db2.gz ZKELFMXIJJBFBQ-NWDGAFQWSA-N 1 1 316.402 -1.121 20 0 DAADMO C[C@H](C(=O)N1CCN(C(=O)[C@H](C)O)CC1)N1CC[NH+](C)CC1 ZINC000408046703 263299182 /nfs/dbraw/zinc/29/91/82/263299182.db2.gz XTZBBMHCTWEIHE-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000329173977 263299663 /nfs/dbraw/zinc/29/96/63/263299663.db2.gz LBGYJWTVWUJFTI-QWRGUYRKSA-N 1 1 310.354 -1.188 20 0 DAADMO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256872 263300383 /nfs/dbraw/zinc/30/03/83/263300383.db2.gz PNHMVLNHHPCLBY-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256872 263300384 /nfs/dbraw/zinc/30/03/84/263300384.db2.gz PNHMVLNHHPCLBY-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](CCO)CCCO)cn1 ZINC000441395627 263300663 /nfs/dbraw/zinc/30/06/63/263300663.db2.gz SDDVTTXDOOHKFP-UHFFFAOYSA-N 1 1 306.388 -1.625 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](CCO)CCCO)cn1 ZINC000441395627 263300666 /nfs/dbraw/zinc/30/06/66/263300666.db2.gz SDDVTTXDOOHKFP-UHFFFAOYSA-N 1 1 306.388 -1.625 20 0 DAADMO COCCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419548441 263300937 /nfs/dbraw/zinc/30/09/37/263300937.db2.gz SYKXFBPYMRRUMQ-HZSPNIEDSA-N 1 1 324.425 -1.109 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH+](C3CC3)CC2)C(=O)C1=O ZINC000329017787 263301618 /nfs/dbraw/zinc/30/16/18/263301618.db2.gz GUFXFDSVORMGQV-UHFFFAOYSA-N 1 1 308.382 -1.016 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419365500 263302066 /nfs/dbraw/zinc/30/20/66/263302066.db2.gz XMKLWVHAWQKFER-RYUDHWBXSA-N 1 1 300.403 -1.205 20 0 DAADMO CNc1nc(N(C)CCC(N)=O)nc(N(C)CCC(N)=O)[nH+]1 ZINC000343951431 263302955 /nfs/dbraw/zinc/30/29/55/263302955.db2.gz JJTAKRKEUUPUCQ-UHFFFAOYSA-N 1 1 310.362 -2.042 20 0 DAADMO CNc1nc(N(C)CCC(N)=O)[nH+]c(N(C)CCC(N)=O)n1 ZINC000343951431 263302957 /nfs/dbraw/zinc/30/29/57/263302957.db2.gz JJTAKRKEUUPUCQ-UHFFFAOYSA-N 1 1 310.362 -2.042 20 0 DAADMO C[C@H](CNC(=O)NC(C)(CO)CO)CN1CC[NH+](C)CC1 ZINC000515341698 263303885 /nfs/dbraw/zinc/30/38/85/263303885.db2.gz PZPTUXXOWNYTTN-GFCCVEGCSA-N 1 1 302.419 -1.088 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000355144172 263303929 /nfs/dbraw/zinc/30/39/29/263303929.db2.gz KBMJPLGREOKXPU-MWLCHTKSSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000332400215 263304551 /nfs/dbraw/zinc/30/45/51/263304551.db2.gz XXMXHMNPUVJILX-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H](CO)O1 ZINC000355123652 263304599 /nfs/dbraw/zinc/30/45/99/263304599.db2.gz BIQXHAJWDNWWMK-NTZNESFSSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 ZINC000408297036 263305397 /nfs/dbraw/zinc/30/53/97/263305397.db2.gz HPBCBRDKBWDKLS-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000505355641 263306245 /nfs/dbraw/zinc/30/62/45/263306245.db2.gz KZIGYJUBSVJBRV-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362116980 263306563 /nfs/dbraw/zinc/30/65/63/263306563.db2.gz HRLBIFGZHSPAMA-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN(CC)C(=O)CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353102432 263306794 /nfs/dbraw/zinc/30/67/94/263306794.db2.gz PAYPATWSLJYKIH-LLVKDONJSA-N 1 1 313.402 -1.798 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359584534 263308146 /nfs/dbraw/zinc/30/81/46/263308146.db2.gz QUAJMFDDDCWXFZ-ZWNOBZJWSA-N 1 1 303.359 -1.070 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359584534 263308147 /nfs/dbraw/zinc/30/81/47/263308147.db2.gz QUAJMFDDDCWXFZ-ZWNOBZJWSA-N 1 1 303.359 -1.070 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000378054244 263308269 /nfs/dbraw/zinc/30/82/69/263308269.db2.gz GHXURPZCHDGLAJ-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)CCCN1CCOCC1 ZINC000345937209 263310698 /nfs/dbraw/zinc/31/06/98/263310698.db2.gz FBSNBKYSUBPXPC-UHFFFAOYSA-N 1 1 323.459 -1.058 20 0 DAADMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424178176 263310721 /nfs/dbraw/zinc/31/07/21/263310721.db2.gz WCSDWEQKBAXNHH-WDEREUQCSA-N 1 1 305.400 -1.097 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418914484 263310738 /nfs/dbraw/zinc/31/07/38/263310738.db2.gz FSUYFIDPNTXOPK-STQMWFEESA-N 1 1 312.414 -1.063 20 0 DAADMO CN(C)S(=O)(=O)c1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000408013445 263311665 /nfs/dbraw/zinc/31/16/65/263311665.db2.gz CTZKNNGVRRKQLF-UHFFFAOYSA-N 1 1 315.399 -1.093 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(=O)n(C)c1=O ZINC000329624755 263312203 /nfs/dbraw/zinc/31/22/03/263312203.db2.gz GHRHBKIXLAYPCQ-GUBZILKMSA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(=O)n(C)c1=O ZINC000329624755 263312204 /nfs/dbraw/zinc/31/22/04/263312204.db2.gz GHRHBKIXLAYPCQ-GUBZILKMSA-N 1 1 322.365 -1.448 20 0 DAADMO O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCO[C@H](CO)C1 ZINC000332577818 263312315 /nfs/dbraw/zinc/31/23/15/263312315.db2.gz DJMBBMORPGYQIW-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCO[C@H](CO)C1 ZINC000332577818 263312317 /nfs/dbraw/zinc/31/23/17/263312317.db2.gz DJMBBMORPGYQIW-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000342173224 263312584 /nfs/dbraw/zinc/31/25/84/263312584.db2.gz FPZFAFOIJZHVKU-LLVKDONJSA-N 1 1 315.370 -1.155 20 0 DAADMO COC(=O)CC[N@H+]1CCN(CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000342173224 263312586 /nfs/dbraw/zinc/31/25/86/263312586.db2.gz FPZFAFOIJZHVKU-LLVKDONJSA-N 1 1 315.370 -1.155 20 0 DAADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC000331354725 263312891 /nfs/dbraw/zinc/31/28/91/263312891.db2.gz ZZXMHJUVIBYYJH-SNVBAGLBSA-N 1 1 302.375 -1.001 20 0 DAADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](CO)NC(N)=O ZINC000331354725 263312893 /nfs/dbraw/zinc/31/28/93/263312893.db2.gz ZZXMHJUVIBYYJH-SNVBAGLBSA-N 1 1 302.375 -1.001 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428789883 263313014 /nfs/dbraw/zinc/31/30/14/263313014.db2.gz PQVFREDBPSIYFS-JTQLQIEISA-N 1 1 321.399 -1.369 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN[C@H](C)C1 ZINC000423266399 263313783 /nfs/dbraw/zinc/31/37/83/263313783.db2.gz RWIUGRBWGXSKIO-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000342059960 263314201 /nfs/dbraw/zinc/31/42/01/263314201.db2.gz JPFZKGJBVAIORX-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@@H+]1CCO ZINC000188818587 263314980 /nfs/dbraw/zinc/31/49/80/263314980.db2.gz ZFFMQUJMMIJPKK-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000188818587 263314982 /nfs/dbraw/zinc/31/49/82/263314982.db2.gz ZFFMQUJMMIJPKK-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000353145960 263316198 /nfs/dbraw/zinc/31/61/98/263316198.db2.gz MRQHFFSXMSIMCZ-NSHDSACASA-N 1 1 322.431 -1.392 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000330658657 263316263 /nfs/dbraw/zinc/31/62/63/263316263.db2.gz QSGZTAMPXKNXSM-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C1 ZINC000362759164 263316389 /nfs/dbraw/zinc/31/63/89/263316389.db2.gz LJPAGHMHMVMRBE-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000332400209 263316457 /nfs/dbraw/zinc/31/64/57/263316457.db2.gz XXMXHMNPUVJILX-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO COCCN1CCCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1=O ZINC000519776675 263316719 /nfs/dbraw/zinc/31/67/19/263316719.db2.gz YRUNNMSHMBSGJF-JTQLQIEISA-N 1 1 301.343 -1.416 20 0 DAADMO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320942447 263317223 /nfs/dbraw/zinc/31/72/23/263317223.db2.gz UAYZVWJIYAJNHM-IINYFYTJSA-N 1 1 315.370 -1.388 20 0 DAADMO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320942447 263317224 /nfs/dbraw/zinc/31/72/24/263317224.db2.gz UAYZVWJIYAJNHM-IINYFYTJSA-N 1 1 315.370 -1.388 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCn2cccn2)CC1 ZINC000342927476 263317446 /nfs/dbraw/zinc/31/74/46/263317446.db2.gz XDTSCXDRMWUTOM-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000341499607 263317661 /nfs/dbraw/zinc/31/76/61/263317661.db2.gz NPGJIDVDBMNNTK-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H](CO)NC(N)=O ZINC000494842790 263318531 /nfs/dbraw/zinc/31/85/31/263318531.db2.gz TWICXOWVJKVYSU-LLVKDONJSA-N 1 1 303.407 -1.643 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H](CO)NC(N)=O)CC[NH+](C)C ZINC000494842790 263318533 /nfs/dbraw/zinc/31/85/33/263318533.db2.gz TWICXOWVJKVYSU-LLVKDONJSA-N 1 1 303.407 -1.643 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000332400220 263318629 /nfs/dbraw/zinc/31/86/29/263318629.db2.gz XXMXHMNPUVJILX-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1c(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc(=O)n(C)c1=O ZINC000329056835 263319506 /nfs/dbraw/zinc/31/95/06/263319506.db2.gz YCABWRMPJTXQDL-OLZOCXBDSA-N 1 1 308.382 -1.011 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000345402489 263319512 /nfs/dbraw/zinc/31/95/12/263319512.db2.gz JBIZPQZZHOHXBW-UHFFFAOYSA-N 1 1 308.448 -1.075 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCCN(C)CC[NH+](C)C ZINC000345402489 263319514 /nfs/dbraw/zinc/31/95/14/263319514.db2.gz JBIZPQZZHOHXBW-UHFFFAOYSA-N 1 1 308.448 -1.075 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CCO)CC(F)F)C1 ZINC000343892948 263319705 /nfs/dbraw/zinc/31/97/05/263319705.db2.gz QGWAWIQPMWAHIR-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCNC(=O)C1 ZINC000376513543 263321154 /nfs/dbraw/zinc/32/11/54/263321154.db2.gz FPKGKBWQTDRBKI-GFCCVEGCSA-N 1 1 308.382 -1.111 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351606093 263321803 /nfs/dbraw/zinc/32/18/03/263321803.db2.gz ABLBWAXUONAANZ-SECBINFHSA-N 1 1 312.248 -1.703 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351606093 263321807 /nfs/dbraw/zinc/32/18/07/263321807.db2.gz ABLBWAXUONAANZ-SECBINFHSA-N 1 1 312.248 -1.703 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1O ZINC000351777541 263322291 /nfs/dbraw/zinc/32/22/91/263322291.db2.gz FZOQKDLFCISYFE-WDEREUQCSA-N 1 1 307.416 -1.303 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCC(=O)N1CCOCC1 ZINC000347448354 263323057 /nfs/dbraw/zinc/32/30/57/263323057.db2.gz QEJAQJQZRNLKBZ-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@@H+]1CCO ZINC000428144799 263323366 /nfs/dbraw/zinc/32/33/66/263323366.db2.gz JOHADIDDLUFVJR-SECBINFHSA-N 1 1 312.326 -2.068 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000428144799 263323367 /nfs/dbraw/zinc/32/33/67/263323367.db2.gz JOHADIDDLUFVJR-SECBINFHSA-N 1 1 312.326 -2.068 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000337029942 263323986 /nfs/dbraw/zinc/32/39/86/263323986.db2.gz CRHPENFIWAQSSS-WDMOLILDSA-N 1 1 300.355 -1.005 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333439961 263325189 /nfs/dbraw/zinc/32/51/89/263325189.db2.gz WGCJGVSZTAXIEU-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333439961 263325190 /nfs/dbraw/zinc/32/51/90/263325190.db2.gz WGCJGVSZTAXIEU-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCN2CCCS2(=O)=O)C1 ZINC000358058068 263325308 /nfs/dbraw/zinc/32/53/08/263325308.db2.gz CIDGXAQSMOXGKS-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)S(N)(=O)=O ZINC000343428967 263325445 /nfs/dbraw/zinc/32/54/45/263325445.db2.gz QZDMGBUVKOXICZ-KXUCPTDWSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)S(N)(=O)=O ZINC000343428967 263325447 /nfs/dbraw/zinc/32/54/47/263325447.db2.gz QZDMGBUVKOXICZ-KXUCPTDWSA-N 1 1 320.415 -1.669 20 0 DAADMO Cn1cc(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2=O)cn1 ZINC000121201933 263325691 /nfs/dbraw/zinc/32/56/91/263325691.db2.gz PNZNKTPXDJVVHV-UHFFFAOYSA-N 1 1 320.397 -1.157 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329844 782037766 /nfs/dbraw/zinc/03/77/66/782037766.db2.gz WWKYXXGRCOUJGX-NXEZZACHSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329844 782037773 /nfs/dbraw/zinc/03/77/73/782037773.db2.gz WWKYXXGRCOUJGX-NXEZZACHSA-N 1 1 323.340 -1.046 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1)OC ZINC001194329502 782037792 /nfs/dbraw/zinc/03/77/92/782037792.db2.gz QBXDNHYDQAWCMW-IVZWLZJFSA-N 1 1 323.340 -1.046 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194461159 782038464 /nfs/dbraw/zinc/03/84/64/782038464.db2.gz WIFCJWPTDDOQLX-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329843 782038544 /nfs/dbraw/zinc/03/85/44/782038544.db2.gz WVMATIUVMCWDQC-OPRDCNLKSA-N 1 1 323.340 -1.310 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194544211 782039522 /nfs/dbraw/zinc/03/95/22/782039522.db2.gz IVHHLTYXNWWEGL-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194544211 782039528 /nfs/dbraw/zinc/03/95/28/782039528.db2.gz IVHHLTYXNWWEGL-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194545742 782039673 /nfs/dbraw/zinc/03/96/73/782039673.db2.gz OLERVDWEWRMODM-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194545742 782039680 /nfs/dbraw/zinc/03/96/80/782039680.db2.gz OLERVDWEWRMODM-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194546154 782040761 /nfs/dbraw/zinc/04/07/61/782040761.db2.gz QBFUXTGGSIIKQN-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194546154 782040770 /nfs/dbraw/zinc/04/07/70/782040770.db2.gz QBFUXTGGSIIKQN-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1 ZINC001194688511 782042106 /nfs/dbraw/zinc/04/21/06/782042106.db2.gz SGLPKAPVJJCXGK-JHJVBQTASA-N 1 1 313.354 -1.224 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC001194699163 782042052 /nfs/dbraw/zinc/04/20/52/782042052.db2.gz BOZLSUBIAVDYKW-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO NC(=O)c1ccc(CCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001194682080 782043080 /nfs/dbraw/zinc/04/30/80/782043080.db2.gz UMIDQSORAVGFLN-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3cnccn3)cn2)[C@H]2NCN[C@@H]21 ZINC001194733479 782043457 /nfs/dbraw/zinc/04/34/57/782043457.db2.gz MBBNQDRJPXWCNQ-IJLUTSLNSA-N 1 1 315.341 -2.205 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110462138 782046920 /nfs/dbraw/zinc/04/69/20/782046920.db2.gz YZBKKQMGTSAPRZ-MXWKQRLJSA-N 1 1 322.369 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001110462138 782046924 /nfs/dbraw/zinc/04/69/24/782046924.db2.gz YZBKKQMGTSAPRZ-MXWKQRLJSA-N 1 1 322.369 -1.159 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001194761655 782047024 /nfs/dbraw/zinc/04/70/24/782047024.db2.gz JHQXKAXEJWBJQR-LBPRGKRZSA-N 1 1 324.385 -1.553 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194795888 782047105 /nfs/dbraw/zinc/04/71/05/782047105.db2.gz WLVKKHYHOXRRGJ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194795888 782047114 /nfs/dbraw/zinc/04/71/14/782047114.db2.gz WLVKKHYHOXRRGJ-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194795501 782047271 /nfs/dbraw/zinc/04/72/71/782047271.db2.gz OTVANPYPSXEMOZ-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194795501 782047278 /nfs/dbraw/zinc/04/72/78/782047278.db2.gz OTVANPYPSXEMOZ-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO Cc1[nH]c(=O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1Cl ZINC001194711366 782043540 /nfs/dbraw/zinc/04/35/40/782043540.db2.gz RBIGCFZPGCIIKA-LPEHRKFASA-N 1 1 312.761 -1.118 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001194778173 782043646 /nfs/dbraw/zinc/04/36/46/782043646.db2.gz PNFRNCISYFIKCC-YNEHKIRRSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cncnc2)C1 ZINC001194712335 782044795 /nfs/dbraw/zinc/04/47/95/782044795.db2.gz VXUJEJIWJONGCB-MGPQQGTHSA-N 1 1 324.381 -1.422 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194754832 782046385 /nfs/dbraw/zinc/04/63/85/782046385.db2.gz PZNJIFDXVICMPD-ZYHUDNBSSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194754832 782046387 /nfs/dbraw/zinc/04/63/87/782046387.db2.gz PZNJIFDXVICMPD-ZYHUDNBSSA-N 1 1 324.381 -1.150 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194847493 782048358 /nfs/dbraw/zinc/04/83/58/782048358.db2.gz GKGNKRMCVBHMKH-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001194882831 782048621 /nfs/dbraw/zinc/04/86/21/782048621.db2.gz IHKUQVAHMJGRCM-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336799722 277034647 /nfs/dbraw/zinc/03/46/47/277034647.db2.gz JSXRSTMBPYKTBA-SNVBAGLBSA-N 1 1 313.445 -1.074 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)S(N)(=O)=O ZINC001194976055 782050686 /nfs/dbraw/zinc/05/06/86/782050686.db2.gz QHOJDHHFEUHIGK-GMTAPVOTSA-N 1 1 323.415 -2.013 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)S(N)(=O)=O ZINC001194976055 782050695 /nfs/dbraw/zinc/05/06/95/782050695.db2.gz QHOJDHHFEUHIGK-GMTAPVOTSA-N 1 1 323.415 -2.013 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000340218012 279585595 /nfs/dbraw/zinc/58/55/95/279585595.db2.gz JVLHYOZCQSZNJT-SECBINFHSA-N 1 1 300.359 -1.079 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194997998 782052652 /nfs/dbraw/zinc/05/26/52/782052652.db2.gz WFNUTQBWNUQZKL-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000360907574 289246746 /nfs/dbraw/zinc/24/67/46/289246746.db2.gz RXWVYXNTTVVGKF-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001195010776 782053721 /nfs/dbraw/zinc/05/37/21/782053721.db2.gz BDJNCXJZNBGTAF-IVZWLZJFSA-N 1 1 324.403 -2.764 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976232 782054226 /nfs/dbraw/zinc/05/42/26/782054226.db2.gz WOLFUEKVTVFRGW-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976232 782054233 /nfs/dbraw/zinc/05/42/33/782054233.db2.gz WOLFUEKVTVFRGW-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001195010779 782054194 /nfs/dbraw/zinc/05/41/94/782054194.db2.gz BDJNCXJZNBGTAF-OPRDCNLKSA-N 1 1 324.403 -2.764 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)co1 ZINC001195011537 782054355 /nfs/dbraw/zinc/05/43/55/782054355.db2.gz JHDWYYGOIQXRAV-MWLCHTKSSA-N 1 1 315.326 -1.533 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)co1 ZINC001195011537 782054364 /nfs/dbraw/zinc/05/43/64/782054364.db2.gz JHDWYYGOIQXRAV-MWLCHTKSSA-N 1 1 315.326 -1.533 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001195011402 782054461 /nfs/dbraw/zinc/05/44/61/782054461.db2.gz HNKVHJOBLVZUJA-RKDXNWHRSA-N 1 1 312.367 -2.439 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001195020525 782056169 /nfs/dbraw/zinc/05/61/69/782056169.db2.gz LXRSDWVLBUUGND-JHJVBQTASA-N 1 1 312.370 -1.085 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](OC)c2cnn(C)c2)C1 ZINC001195020525 782056176 /nfs/dbraw/zinc/05/61/76/782056176.db2.gz LXRSDWVLBUUGND-JHJVBQTASA-N 1 1 312.370 -1.085 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001195213966 782057218 /nfs/dbraw/zinc/05/72/18/782057218.db2.gz ALCMULGMHNXSKS-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001195213966 782057226 /nfs/dbraw/zinc/05/72/26/782057226.db2.gz ALCMULGMHNXSKS-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COc1cncc(Cl)c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001195242549 782057437 /nfs/dbraw/zinc/05/74/37/782057437.db2.gz GVAVODAXOHVCGW-VWYCJHECSA-N 1 1 312.761 -1.124 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001195270173 782059257 /nfs/dbraw/zinc/05/92/57/782059257.db2.gz BSNZEWBOIGKBFQ-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)NC1=O ZINC001195272366 782060148 /nfs/dbraw/zinc/06/01/48/782060148.db2.gz TVNMGNHAWGDOGW-GMTAPVOTSA-N 1 1 316.358 -2.820 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)NC1=O ZINC001195272366 782060157 /nfs/dbraw/zinc/06/01/57/782060157.db2.gz TVNMGNHAWGDOGW-GMTAPVOTSA-N 1 1 316.358 -2.820 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001195277308 782060651 /nfs/dbraw/zinc/06/06/51/782060651.db2.gz FLWABUMQDXIHSH-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001195278447 782060866 /nfs/dbraw/zinc/06/08/66/782060866.db2.gz UYUMUNVJKXHSGU-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195293596 782061417 /nfs/dbraw/zinc/06/14/17/782061417.db2.gz AIDRUAKOTYLNMG-HBNTYKKESA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195293596 782061399 /nfs/dbraw/zinc/06/13/99/782061399.db2.gz AIDRUAKOTYLNMG-HBNTYKKESA-N 1 1 303.359 -2.332 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001195319272 782063964 /nfs/dbraw/zinc/06/39/64/782063964.db2.gz OJNRLGJWEJGWBM-SCUASFONSA-N 1 1 313.398 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195348988 782064795 /nfs/dbraw/zinc/06/47/95/782064795.db2.gz JJVBGXMQEZNDPA-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195348988 782064804 /nfs/dbraw/zinc/06/48/04/782064804.db2.gz JJVBGXMQEZNDPA-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195367003 782064887 /nfs/dbraw/zinc/06/48/87/782064887.db2.gz RRVAOFRAVJKZFC-NXEZZACHSA-N 1 1 314.346 -2.352 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195367003 782064901 /nfs/dbraw/zinc/06/49/01/782064901.db2.gz RRVAOFRAVJKZFC-NXEZZACHSA-N 1 1 314.346 -2.352 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195348986 782064362 /nfs/dbraw/zinc/06/43/62/782064362.db2.gz JJVBGXMQEZNDPA-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195348986 782064371 /nfs/dbraw/zinc/06/43/71/782064371.db2.gz JJVBGXMQEZNDPA-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195367116 782064388 /nfs/dbraw/zinc/06/43/88/782064388.db2.gz SRWLLPRYIIDWJB-GRYCIOLGSA-N 1 1 315.370 -2.223 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195367116 782064390 /nfs/dbraw/zinc/06/43/90/782064390.db2.gz SRWLLPRYIIDWJB-GRYCIOLGSA-N 1 1 315.370 -2.223 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1=O ZINC001195452970 782066518 /nfs/dbraw/zinc/06/65/18/782066518.db2.gz MHXYTFCOSYSXMB-QJPTWQEYSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1=O ZINC001195452970 782066527 /nfs/dbraw/zinc/06/65/27/782066527.db2.gz MHXYTFCOSYSXMB-QJPTWQEYSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1=O ZINC001195452969 782066579 /nfs/dbraw/zinc/06/65/79/782066579.db2.gz MHXYTFCOSYSXMB-IJLUTSLNSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1=O ZINC001195452969 782066589 /nfs/dbraw/zinc/06/65/89/782066589.db2.gz MHXYTFCOSYSXMB-IJLUTSLNSA-N 1 1 315.370 -2.365 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195412064 782067155 /nfs/dbraw/zinc/06/71/55/782067155.db2.gz ACEHMEJLLRGPIK-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195412064 782067166 /nfs/dbraw/zinc/06/71/66/782067166.db2.gz ACEHMEJLLRGPIK-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001195587084 782070652 /nfs/dbraw/zinc/07/06/52/782070652.db2.gz FCXICOUWPPCUBK-MGPQQGTHSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195587084 782070659 /nfs/dbraw/zinc/07/06/59/782070659.db2.gz FCXICOUWPPCUBK-MGPQQGTHSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001195581866 782070737 /nfs/dbraw/zinc/07/07/37/782070737.db2.gz WRWZNUGWJBREDD-MRVWCRGKSA-N 1 1 324.381 -1.250 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001195581866 782070745 /nfs/dbraw/zinc/07/07/45/782070745.db2.gz WRWZNUGWJBREDD-MRVWCRGKSA-N 1 1 324.381 -1.250 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001195515979 782069121 /nfs/dbraw/zinc/06/91/21/782069121.db2.gz VAPGMIXGPGHVKG-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001195515977 782069335 /nfs/dbraw/zinc/06/93/35/782069335.db2.gz VAPGMIXGPGHVKG-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195640785 782072664 /nfs/dbraw/zinc/07/26/64/782072664.db2.gz ODXJEWLVDQPUJR-FBIMIBRVSA-N 1 1 312.326 -2.448 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)c(CO)c(F)c2)[C@@H]2NCN[C@H]21 ZINC001195638342 782073882 /nfs/dbraw/zinc/07/38/82/782073882.db2.gz ZFLDGDLFGURNRW-TUAOUCFPSA-N 1 1 313.308 -1.410 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001195681480 782074600 /nfs/dbraw/zinc/07/46/00/782074600.db2.gz DKJMIXOUSBIECY-MNOVXSKESA-N 1 1 301.343 -1.364 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001195783162 782081546 /nfs/dbraw/zinc/08/15/46/782081546.db2.gz BWVIQNHDCPUAHM-RKDXNWHRSA-N 1 1 321.324 -1.305 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)CC1 ZINC001195783162 782081556 /nfs/dbraw/zinc/08/15/56/782081556.db2.gz BWVIQNHDCPUAHM-RKDXNWHRSA-N 1 1 321.324 -1.305 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(=O)c1ccccc1 ZINC001195783365 782082690 /nfs/dbraw/zinc/08/26/90/782082690.db2.gz KCVZKIJLIYQGMT-ZIAGYGMSSA-N 1 1 321.377 -1.088 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001195790857 782082760 /nfs/dbraw/zinc/08/27/60/782082760.db2.gz WTZXISHINZFLSJ-NXEZZACHSA-N 1 1 308.342 -2.295 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001195790857 782082770 /nfs/dbraw/zinc/08/27/70/782082770.db2.gz WTZXISHINZFLSJ-NXEZZACHSA-N 1 1 308.342 -2.295 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001195783960 782083466 /nfs/dbraw/zinc/08/34/66/782083466.db2.gz YSEYOGRFQARSET-VXGBXAGGSA-N 1 1 311.382 -1.018 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195648878 782075719 /nfs/dbraw/zinc/07/57/19/782075719.db2.gz XCKGBDUCLXURTG-MVWJERBFSA-N 1 1 310.354 -1.294 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195654129 782075740 /nfs/dbraw/zinc/07/57/40/782075740.db2.gz NCGAIDKPMWYDNG-CYZMBNFOSA-N 1 1 312.370 -1.005 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661998 782076981 /nfs/dbraw/zinc/07/69/81/782076981.db2.gz WKXIHFHAROKKCD-YNEHKIRRSA-N 1 1 315.414 -1.503 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661996 782077214 /nfs/dbraw/zinc/07/72/14/782077214.db2.gz WKXIHFHAROKKCD-JHJVBQTASA-N 1 1 315.414 -1.503 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC001195727226 782077485 /nfs/dbraw/zinc/07/74/85/782077485.db2.gz HZKWFMHKMRAPPM-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC001195727226 782077494 /nfs/dbraw/zinc/07/74/94/782077494.db2.gz HZKWFMHKMRAPPM-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001195746289 782078509 /nfs/dbraw/zinc/07/85/09/782078509.db2.gz JGACRAKHVCPXEV-NXEZZACHSA-N 1 1 311.379 -1.424 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195717787 782078805 /nfs/dbraw/zinc/07/88/05/782078805.db2.gz JSRXBJLYGVFZEQ-QJPTWQEYSA-N 1 1 314.386 -1.356 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195717531 782079776 /nfs/dbraw/zinc/07/97/76/782079776.db2.gz IIHCELVHGYKWDX-GMTAPVOTSA-N 1 1 300.359 -1.744 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783159 782080737 /nfs/dbraw/zinc/08/07/37/782080737.db2.gz BVVCGLSTZRIPBH-OPRDCNLKSA-N 1 1 301.343 -2.580 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829594 782084293 /nfs/dbraw/zinc/08/42/93/782084293.db2.gz QHYVLFYDMLJUNH-MGPQQGTHSA-N 1 1 315.414 -1.503 20 0 DAADMO COCCOCC[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC001195866078 782084309 /nfs/dbraw/zinc/08/43/09/782084309.db2.gz USAPQEUOHPYFKN-UHFFFAOYSA-N 1 1 312.374 -1.130 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C(C)C ZINC001195882429 782087239 /nfs/dbraw/zinc/08/72/39/782087239.db2.gz ZHIPWPNLHBJLFA-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C(C)C ZINC001195882429 782087250 /nfs/dbraw/zinc/08/72/50/782087250.db2.gz ZHIPWPNLHBJLFA-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001196040018 782091732 /nfs/dbraw/zinc/09/17/32/782091732.db2.gz AMLAITLHHKJFFX-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001196079644 782091853 /nfs/dbraw/zinc/09/18/53/782091853.db2.gz VXEYGJWFRYTAHZ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001196079644 782091859 /nfs/dbraw/zinc/09/18/59/782091859.db2.gz VXEYGJWFRYTAHZ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001196078502 782091360 /nfs/dbraw/zinc/09/13/60/782091360.db2.gz MVPSPGYIOAWJSY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001196078502 782091366 /nfs/dbraw/zinc/09/13/66/782091366.db2.gz MVPSPGYIOAWJSY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196030926 782091501 /nfs/dbraw/zinc/09/15/01/782091501.db2.gz REOWQAGYGKMFFI-JHJVBQTASA-N 1 1 312.370 -1.294 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196030926 782091510 /nfs/dbraw/zinc/09/15/10/782091510.db2.gz REOWQAGYGKMFFI-JHJVBQTASA-N 1 1 312.370 -1.294 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196159915 782093687 /nfs/dbraw/zinc/09/36/87/782093687.db2.gz CRWMCDSVSDEBSK-YNEHKIRRSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cnc(C(=O)N2CCC[N@@H+](CCOCCO)CC2)cc1=O ZINC001196191823 782094808 /nfs/dbraw/zinc/09/48/08/782094808.db2.gz NRLNFGAFJGXCPH-UHFFFAOYSA-N 1 1 324.381 -1.063 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001196169267 782095111 /nfs/dbraw/zinc/09/51/11/782095111.db2.gz PXKKZWCRKWIZEB-BFHYXJOUSA-N 1 1 315.414 -1.359 20 0 DAADMO C[NH+](C)CCNC(=O)C1CCN(CCNS(C)(=O)=O)CC1 ZINC000170958613 332908492 /nfs/dbraw/zinc/90/84/92/332908492.db2.gz JSAHTWSHIUTIHA-UHFFFAOYSA-N 1 1 320.459 -1.075 20 0 DAADMO Cn1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000566160873 332007482 /nfs/dbraw/zinc/00/74/82/332007482.db2.gz FYNFOLCBIKVSMT-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000569448093 332088410 /nfs/dbraw/zinc/08/84/10/332088410.db2.gz KYDVARSREJXTEG-LBPRGKRZSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(c1cn[nH]n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569603797 332198824 /nfs/dbraw/zinc/19/88/24/332198824.db2.gz YJGMQYIVAAYOMU-UHFFFAOYSA-N 1 1 300.344 -2.136 20 0 DAADMO O=S(=O)(NC[C@@H]1CCCC[N@H+]1CCO)N1CCOCC1 ZINC000560320098 332330352 /nfs/dbraw/zinc/33/03/52/332330352.db2.gz MCYCUVSSDSYNQE-LBPRGKRZSA-N 1 1 307.416 -1.000 20 0 DAADMO O=S(=O)(NC[C@@H]1CCCC[N@@H+]1CCO)N1CCOCC1 ZINC000560320098 332330353 /nfs/dbraw/zinc/33/03/53/332330353.db2.gz MCYCUVSSDSYNQE-LBPRGKRZSA-N 1 1 307.416 -1.000 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000578893031 332395371 /nfs/dbraw/zinc/39/53/71/332395371.db2.gz PWYFFQSJROZUCA-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000578893031 332395372 /nfs/dbraw/zinc/39/53/72/332395372.db2.gz PWYFFQSJROZUCA-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H](C[NH3+])C1 ZINC000569919316 332692316 /nfs/dbraw/zinc/69/23/16/332692316.db2.gz ZAAVZUUDXLCSAV-ZIAGYGMSSA-N 1 1 321.425 -1.440 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000580342370 335114176 /nfs/dbraw/zinc/11/41/76/335114176.db2.gz ZANZYCKZCWVVLV-RYUDHWBXSA-N 1 1 309.432 -1.451 20 0 DAADMO CC(C)[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H](C)O ZINC000107041236 335123501 /nfs/dbraw/zinc/12/35/01/335123501.db2.gz ASSWEWGKHONVPO-VIFPVBQESA-N 1 1 312.370 -1.060 20 0 DAADMO CC(C)[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@H](C)O ZINC000107041236 335123502 /nfs/dbraw/zinc/12/35/02/335123502.db2.gz ASSWEWGKHONVPO-VIFPVBQESA-N 1 1 312.370 -1.060 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001196227721 782095612 /nfs/dbraw/zinc/09/56/12/782095612.db2.gz ICGZLUWUSIAGIC-QJPTWQEYSA-N 1 1 312.370 -1.191 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)on2)[C@@H]2NCN[C@@H]21 ZINC001196228392 782095817 /nfs/dbraw/zinc/09/58/17/782095817.db2.gz CEVRVFZVFRFHJF-UPJWGTAASA-N 1 1 315.337 -1.131 20 0 DAADMO O=C(CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1)N1CC[NH2+]CC1 ZINC000563150903 333398233 /nfs/dbraw/zinc/39/82/33/333398233.db2.gz CLTUJGCBQXIMDB-AWEZNQCLSA-N 1 1 323.441 -1.296 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@@H](C)[NH+]1C ZINC000343486444 335168915 /nfs/dbraw/zinc/16/89/15/335168915.db2.gz UFLUZRFPVGWXIO-NXEZZACHSA-N 1 1 322.369 -1.142 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3CCNC3=O)c2c(=O)n(C)c1=O ZINC000534664355 334323389 /nfs/dbraw/zinc/32/33/89/334323389.db2.gz NCTDVLZIIJXBSI-SECBINFHSA-N 1 1 320.353 -1.746 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000333379310 336202613 /nfs/dbraw/zinc/20/26/13/336202613.db2.gz KEYKGCUSFDCWPQ-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196451768 782104190 /nfs/dbraw/zinc/10/41/90/782104190.db2.gz CEJKEDGIEXQLHU-HBNTYKKESA-N 1 1 312.370 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196489295 782105453 /nfs/dbraw/zinc/10/54/53/782105453.db2.gz DURPMPQDIMWIKM-OPRDCNLKSA-N 1 1 324.403 -3.076 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001196609166 782106300 /nfs/dbraw/zinc/10/63/00/782106300.db2.gz UFZZITWKRXTNOU-HBNTYKKESA-N 1 1 316.402 -1.374 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001196576143 782106443 /nfs/dbraw/zinc/10/64/43/782106443.db2.gz KLNPALWQQZOOAS-CYZMBNFOSA-N 1 1 302.371 -1.276 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H]2CCOC2)C1 ZINC001196550019 782106504 /nfs/dbraw/zinc/10/65/04/782106504.db2.gz FHELHZHMJAQZNZ-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC001196655196 782107847 /nfs/dbraw/zinc/10/78/47/782107847.db2.gz DRHVPSCFCZVODB-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCCOC)CC1 ZINC001196647896 782107990 /nfs/dbraw/zinc/10/79/90/782107990.db2.gz DAAFJWXRGGLMSG-UHFFFAOYSA-N 1 1 322.431 -1.389 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O)C(N)=O ZINC001196683888 782108202 /nfs/dbraw/zinc/10/82/02/782108202.db2.gz PXKRMDKTAGIVTL-QJPTWQEYSA-N 1 1 314.386 -1.816 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001196683120 782108316 /nfs/dbraw/zinc/10/83/16/782108316.db2.gz HZKUCKFFPVVIIJ-QJPTWQEYSA-N 1 1 314.386 -1.672 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC001196655195 782108457 /nfs/dbraw/zinc/10/84/57/782108457.db2.gz DRHVPSCFCZVODB-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(N)=O ZINC001196684746 782108576 /nfs/dbraw/zinc/10/85/76/782108576.db2.gz XZJZFIHJJIWPCC-IVZWLZJFSA-N 1 1 302.331 -3.480 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(N3CCCC3)n2)[C@H]2NCN[C@H]21 ZINC001196679826 782108726 /nfs/dbraw/zinc/10/87/26/782108726.db2.gz SUWCOUGZVTYHBN-BFHYXJOUSA-N 1 1 317.397 -1.186 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001196215219 782096975 /nfs/dbraw/zinc/09/69/75/782096975.db2.gz WWFPLWZZMVSKBR-MRVWCRGKSA-N 1 1 323.397 -1.055 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001196207466 782097193 /nfs/dbraw/zinc/09/71/93/782097193.db2.gz FSYQQFNZWKDDEY-RVMXOQNASA-N 1 1 323.411 -1.246 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001196207466 782097205 /nfs/dbraw/zinc/09/72/05/782097205.db2.gz FSYQQFNZWKDDEY-RVMXOQNASA-N 1 1 323.411 -1.246 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196290781 782099628 /nfs/dbraw/zinc/09/96/28/782099628.db2.gz MAOKHSNQPNXRCE-IJLUTSLNSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196290781 782099636 /nfs/dbraw/zinc/09/96/36/782099636.db2.gz MAOKHSNQPNXRCE-IJLUTSLNSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196290781 782099645 /nfs/dbraw/zinc/09/96/45/782099645.db2.gz MAOKHSNQPNXRCE-IJLUTSLNSA-N 1 1 313.358 -2.094 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(N3CCCC3)n2)[C@@H]2NCN[C@H]21 ZINC001196679829 782109239 /nfs/dbraw/zinc/10/92/39/782109239.db2.gz SUWCOUGZVTYHBN-MJBXVCDLSA-N 1 1 317.397 -1.186 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)NC1=O ZINC001196731504 782110349 /nfs/dbraw/zinc/11/03/49/782110349.db2.gz FAQZOBPTLJQDQE-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196739104 782110413 /nfs/dbraw/zinc/11/04/13/782110413.db2.gz JNCACDTZSIDSRE-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000583211076 337272796 /nfs/dbraw/zinc/27/27/96/337272796.db2.gz KWVQBFUKVJJKML-NSHDSACASA-N 1 1 321.447 -1.818 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477561 337347805 /nfs/dbraw/zinc/34/78/05/337347805.db2.gz LOUQLXDQASFURU-NEPJUHHUSA-N 1 1 308.448 -1.196 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)CN1 ZINC000419779228 337492209 /nfs/dbraw/zinc/49/22/09/337492209.db2.gz PJOWHKREUAGUAM-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001196738866 782110813 /nfs/dbraw/zinc/11/08/13/782110813.db2.gz FMQRUMXLHJRQNS-GMTAPVOTSA-N 1 1 312.370 -2.095 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001196738866 782110815 /nfs/dbraw/zinc/11/08/15/782110815.db2.gz FMQRUMXLHJRQNS-GMTAPVOTSA-N 1 1 312.370 -2.095 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1)S(N)(=O)=O ZINC000542876353 341024716 /nfs/dbraw/zinc/02/47/16/341024716.db2.gz BLUAQIFDKLYKEV-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@H]2CCNC2=O)COC1)[C@H]1CCNC1=O ZINC000542980802 341027649 /nfs/dbraw/zinc/02/76/49/341027649.db2.gz MKPNBPVVQRHGBO-RYUDHWBXSA-N 1 1 310.398 -1.356 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@]2(C)CO)c(=O)n(C)c1=O ZINC000544761004 341093110 /nfs/dbraw/zinc/09/31/10/341093110.db2.gz AZHKSDSYRLTWFB-CQSZACIVSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@]2(C)CO)c(=O)n(C)c1=O ZINC000544761004 341093111 /nfs/dbraw/zinc/09/31/11/341093111.db2.gz AZHKSDSYRLTWFB-CQSZACIVSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1C(N)=O ZINC000236088038 341177276 /nfs/dbraw/zinc/17/72/76/341177276.db2.gz XFOVLWVZICZWGW-QMMMGPOBSA-N 1 1 302.356 -1.609 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(=O)n(C)c1=O ZINC000236088030 341177335 /nfs/dbraw/zinc/17/73/35/341177335.db2.gz BDKYVQACEOKKNV-QMMMGPOBSA-N 1 1 318.355 -2.649 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000548298581 341254845 /nfs/dbraw/zinc/25/48/45/341254845.db2.gz NYLCRSDLYSZHDU-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000548298580 341254887 /nfs/dbraw/zinc/25/48/87/341254887.db2.gz NYLCRSDLYSZHDU-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO CN1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])nc2)CC1 ZINC000551935345 341355419 /nfs/dbraw/zinc/35/54/19/341355419.db2.gz SXNIBYYBYGDWCQ-UHFFFAOYSA-N 1 1 306.370 -1.153 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CCNS(C)(=O)=O)CC1 ZINC000551970412 341356393 /nfs/dbraw/zinc/35/63/93/341356393.db2.gz ICIIJXOLIQMWBO-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CS(=O)(=O)N(C)C)CC1 ZINC000552307756 341385486 /nfs/dbraw/zinc/38/54/86/341385486.db2.gz SULPTFWBSGJKFH-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO Cn1cnc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000567842664 341636361 /nfs/dbraw/zinc/63/63/61/341636361.db2.gz WPFWWQVGCMZKNV-UHFFFAOYSA-N 1 1 313.383 -1.521 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000580563703 341879527 /nfs/dbraw/zinc/87/95/27/341879527.db2.gz JXOZJMFOWZEOHM-LLVKDONJSA-N 1 1 324.403 -2.760 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001196753184 782112102 /nfs/dbraw/zinc/11/21/02/782112102.db2.gz LSJUJNKBMYJKDQ-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001196753184 782112110 /nfs/dbraw/zinc/11/21/10/782112110.db2.gz LSJUJNKBMYJKDQ-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001196758050 782112655 /nfs/dbraw/zinc/11/26/55/782112655.db2.gz PEKUJEBZTYYGEH-WZRBSPASSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001196753206 782112981 /nfs/dbraw/zinc/11/29/81/782112981.db2.gz LSJUJNKBMYJKDQ-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001196753206 782112987 /nfs/dbraw/zinc/11/29/87/782112987.db2.gz LSJUJNKBMYJKDQ-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196811931 782113905 /nfs/dbraw/zinc/11/39/05/782113905.db2.gz GAFLGBHPWVHPNP-YNEHKIRRSA-N 1 1 312.370 -1.489 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 ZINC001196866465 782114300 /nfs/dbraw/zinc/11/43/00/782114300.db2.gz BYGWAOWUGHFLLX-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]2O)CC1 ZINC001196911515 782116538 /nfs/dbraw/zinc/11/65/38/782116538.db2.gz LKFBCXALEWNELV-IJLUTSLNSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196945416 782117792 /nfs/dbraw/zinc/11/77/92/782117792.db2.gz CBODSRCDVXDNFA-HBNTYKKESA-N 1 1 316.358 -3.090 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196945416 782117799 /nfs/dbraw/zinc/11/77/99/782117799.db2.gz CBODSRCDVXDNFA-HBNTYKKESA-N 1 1 316.358 -3.090 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945358 782118905 /nfs/dbraw/zinc/11/89/05/782118905.db2.gz AVVAGSIQPQQBHM-IJLUTSLNSA-N 1 1 314.386 -2.256 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945359 782118995 /nfs/dbraw/zinc/11/89/95/782118995.db2.gz AVVAGSIQPQQBHM-QJPTWQEYSA-N 1 1 314.386 -2.256 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)C1 ZINC001196954058 782119007 /nfs/dbraw/zinc/11/90/07/782119007.db2.gz PEHUSEBQKBGIEF-IJLUTSLNSA-N 1 1 314.386 -1.672 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945865 782118707 /nfs/dbraw/zinc/11/87/07/782118707.db2.gz HSCSAMWSMPSSMQ-GHMZBOCLSA-N 1 1 300.359 -2.645 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196978110 782120596 /nfs/dbraw/zinc/12/05/96/782120596.db2.gz YUKLAWNZRUIGCW-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196978110 782120601 /nfs/dbraw/zinc/12/06/01/782120601.db2.gz YUKLAWNZRUIGCW-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001197154010 782125677 /nfs/dbraw/zinc/12/56/77/782125677.db2.gz CRIBYBQVHHBKNL-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197155607 782125716 /nfs/dbraw/zinc/12/57/16/782125716.db2.gz LZGQPKKXLZODRS-QJPTWQEYSA-N 1 1 310.358 -1.739 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197156765 782125861 /nfs/dbraw/zinc/12/58/61/782125861.db2.gz YNXCPDBDPUUKEH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197171495 782127487 /nfs/dbraw/zinc/12/74/87/782127487.db2.gz IWJAOTRBFRPJPZ-GHMZBOCLSA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197171495 782127492 /nfs/dbraw/zinc/12/74/92/782127492.db2.gz IWJAOTRBFRPJPZ-GHMZBOCLSA-N 1 1 321.345 -2.484 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171094 782127792 /nfs/dbraw/zinc/12/77/92/782127792.db2.gz DYVRDFHZJGVAEI-HBNTYKKESA-N 1 1 300.338 -1.027 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171094 782127796 /nfs/dbraw/zinc/12/77/96/782127796.db2.gz DYVRDFHZJGVAEI-HBNTYKKESA-N 1 1 300.338 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296562 782129154 /nfs/dbraw/zinc/12/91/54/782129154.db2.gz NDZLZSHAJMWZAC-IJLUTSLNSA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296562 782129157 /nfs/dbraw/zinc/12/91/57/782129157.db2.gz NDZLZSHAJMWZAC-IJLUTSLNSA-N 1 1 315.370 -2.319 20 0 DAADMO COCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319372 782128419 /nfs/dbraw/zinc/12/84/19/782128419.db2.gz BSVQNCDGYIHORM-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001197278104 782129219 /nfs/dbraw/zinc/12/92/19/782129219.db2.gz NKRIYGSYRNQQBQ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001197356964 782130793 /nfs/dbraw/zinc/13/07/93/782130793.db2.gz GIIWHRGSOYGMEU-GHMZBOCLSA-N 1 1 313.358 -1.861 20 0 DAADMO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001197326540 782131002 /nfs/dbraw/zinc/13/10/02/782131002.db2.gz FMISMLZQLPJEDT-VXGBXAGGSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001197326540 782131010 /nfs/dbraw/zinc/13/10/10/782131010.db2.gz FMISMLZQLPJEDT-VXGBXAGGSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001197365523 782131419 /nfs/dbraw/zinc/13/14/19/782131419.db2.gz DABXVUZRESUURC-GMTAPVOTSA-N 1 1 313.358 -2.126 20 0 DAADMO COC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001197419000 782131891 /nfs/dbraw/zinc/13/18/91/782131891.db2.gz UKTFBJQMJURQFL-GRYCIOLGSA-N 1 1 320.353 -1.002 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197382243 782132272 /nfs/dbraw/zinc/13/22/72/782132272.db2.gz ZVESFKGNXHFXAD-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO COC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001197419005 782132438 /nfs/dbraw/zinc/13/24/38/782132438.db2.gz UKTFBJQMJURQFL-SRVKXCTJSA-N 1 1 320.353 -1.002 20 0 DAADMO COC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197368108 782132653 /nfs/dbraw/zinc/13/26/53/782132653.db2.gz VODBXFILSWUUJM-YNEHKIRRSA-N 1 1 304.387 -1.171 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001197528927 782134105 /nfs/dbraw/zinc/13/41/05/782134105.db2.gz WOKZQBSCAUBVKO-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197588640 782136655 /nfs/dbraw/zinc/13/66/55/782136655.db2.gz MRXUPFHRHFRJFO-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(CC(F)(F)F)c2)[C@@H]2NCN[C@@H]21 ZINC001197568790 782136828 /nfs/dbraw/zinc/13/68/28/782136828.db2.gz GCMPQBWCLRSZTN-HLTSFMKQSA-N 1 1 319.291 -1.422 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3cccnc3)c2)[C@@H]2NCN[C@@H]21 ZINC001197585755 782137112 /nfs/dbraw/zinc/13/71/12/782137112.db2.gz MBAKSJVVERQCAT-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197667272 782138330 /nfs/dbraw/zinc/13/83/30/782138330.db2.gz UCBRQFQNUCXXPW-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197667272 782138337 /nfs/dbraw/zinc/13/83/37/782138337.db2.gz UCBRQFQNUCXXPW-VXGBXAGGSA-N 1 1 324.385 -1.515 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1F ZINC001197667597 782138925 /nfs/dbraw/zinc/13/89/25/782138925.db2.gz XHZLRZJDFCMVJV-SDDRHHMPSA-N 1 1 323.328 -1.255 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cnc1=O ZINC001197715272 782140409 /nfs/dbraw/zinc/14/04/09/782140409.db2.gz TXXKJRBOJKJKRK-GARJFASQSA-N 1 1 323.357 -2.978 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(CC3CC3)c2)[C@@H]2NCN[C@H]21 ZINC001197781036 782140868 /nfs/dbraw/zinc/14/08/68/782140868.db2.gz LRDZCQDZCLQVIE-TUAOUCFPSA-N 1 1 319.369 -2.214 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(CC3CC3)c2)[C@H]2NCN[C@H]21 ZINC001197781035 782140919 /nfs/dbraw/zinc/14/09/19/782140919.db2.gz LRDZCQDZCLQVIE-QJPTWQEYSA-N 1 1 319.369 -2.214 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)c1 ZINC001197833828 782142463 /nfs/dbraw/zinc/14/24/63/782142463.db2.gz LCNHJYLQVOFKRO-DMDPSCGWSA-N 1 1 312.370 -1.315 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)c1 ZINC001197833831 782142924 /nfs/dbraw/zinc/14/29/24/782142924.db2.gz LCNHJYLQVOFKRO-NQBHXWOUSA-N 1 1 312.370 -1.315 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819872 782142970 /nfs/dbraw/zinc/14/29/70/782142970.db2.gz PJNPTRVMCRYLCL-YNEHKIRRSA-N 1 1 313.398 -1.749 20 0 DAADMO COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826015 782143008 /nfs/dbraw/zinc/14/30/08/782143008.db2.gz MDYGCNBGKCSMIN-JHJVBQTASA-N 1 1 303.403 -1.239 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825979 782142058 /nfs/dbraw/zinc/14/20/58/782142058.db2.gz KAIYTQVZCFMUNN-JHJVBQTASA-N 1 1 319.402 -2.267 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825980 782142118 /nfs/dbraw/zinc/14/21/18/782142118.db2.gz KAIYTQVZCFMUNN-YNEHKIRRSA-N 1 1 319.402 -2.267 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197889746 782142143 /nfs/dbraw/zinc/14/21/43/782142143.db2.gz QFSPNIWNXJWGNG-IJLUTSLNSA-N 1 1 301.387 -1.165 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(OC(F)F)cn2)[C@@H]2NCN[C@@H]21 ZINC001197932366 782144313 /nfs/dbraw/zinc/14/43/13/782144313.db2.gz YJAIZWSXTGEFQD-BBBLOLIVSA-N 1 1 314.296 -1.184 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001198004149 782144405 /nfs/dbraw/zinc/14/44/05/782144405.db2.gz WPFSGZLLVFLANV-MGPQQGTHSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001198004149 782144410 /nfs/dbraw/zinc/14/44/10/782144410.db2.gz WPFSGZLLVFLANV-MGPQQGTHSA-N 1 1 317.430 -1.113 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197912789 782144484 /nfs/dbraw/zinc/14/44/84/782144484.db2.gz UQGAPGIFGXEPTJ-QJPTWQEYSA-N 1 1 301.387 -1.165 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001197926113 782144799 /nfs/dbraw/zinc/14/47/99/782144799.db2.gz DVAHFYHRADTZCQ-QJPTWQEYSA-N 1 1 315.370 -1.911 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001197926113 782144803 /nfs/dbraw/zinc/14/48/03/782144803.db2.gz DVAHFYHRADTZCQ-QJPTWQEYSA-N 1 1 315.370 -1.911 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(C)C)C1 ZINC001197903642 782144852 /nfs/dbraw/zinc/14/48/52/782144852.db2.gz PFPVVPLVGWUBKE-QJPTWQEYSA-N 1 1 301.387 -1.213 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccnc2OCC2CC2)[C@@H]2NCN[C@@H]21 ZINC001198024726 782145897 /nfs/dbraw/zinc/14/58/97/782145897.db2.gz SPHWPKXHXLMRID-JLLWLGSASA-N 1 1 319.369 -1.602 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001198020941 782145918 /nfs/dbraw/zinc/14/59/18/782145918.db2.gz UAQROEDSUGUEIA-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001198028883 782146539 /nfs/dbraw/zinc/14/65/39/782146539.db2.gz LAXMLLOUIGQOKJ-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1O ZINC001198046818 782146581 /nfs/dbraw/zinc/14/65/81/782146581.db2.gz FTMNRPQTRPUYMR-QJPTWQEYSA-N 1 1 300.403 -1.376 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046923 782146753 /nfs/dbraw/zinc/14/67/53/782146753.db2.gz JABPRTLAJUYBGF-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001198021348 782146793 /nfs/dbraw/zinc/14/67/93/782146793.db2.gz ZDONNQWPKMVJCG-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001198029710 782146867 /nfs/dbraw/zinc/14/68/67/782146867.db2.gz WCWPGWFVLWHETJ-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001198029710 782146871 /nfs/dbraw/zinc/14/68/71/782146871.db2.gz WCWPGWFVLWHETJ-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(OC(F)F)cn2)[C@H]2NCN[C@H]21 ZINC001197932367 782145306 /nfs/dbraw/zinc/14/53/06/782145306.db2.gz YJAIZWSXTGEFQD-IVZWLZJFSA-N 1 1 314.296 -1.184 20 0 DAADMO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197985061 782147901 /nfs/dbraw/zinc/14/79/01/782147901.db2.gz YAHQCFGUUPEXFX-YNEHKIRRSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197985061 782147907 /nfs/dbraw/zinc/14/79/07/782147907.db2.gz YAHQCFGUUPEXFX-YNEHKIRRSA-N 1 1 301.387 -1.309 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001198054828 782147082 /nfs/dbraw/zinc/14/70/82/782147082.db2.gz YGWSRFCZMPYNBK-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001198054828 782147088 /nfs/dbraw/zinc/14/70/88/782147088.db2.gz YGWSRFCZMPYNBK-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001198046919 782147233 /nfs/dbraw/zinc/14/72/33/782147233.db2.gz JABPRTLAJUYBGF-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccnc2OCC2CC2)[C@@H]2NCN[C@H]21 ZINC001198024728 782147756 /nfs/dbraw/zinc/14/77/56/782147756.db2.gz SPHWPKXHXLMRID-WCQGTBRESA-N 1 1 319.369 -1.602 20 0 DAADMO C[C@H](OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nccn1C ZINC001198233307 782151788 /nfs/dbraw/zinc/15/17/88/782151788.db2.gz GWLSZSSCZKFGIH-QJPTWQEYSA-N 1 1 312.370 -1.349 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198180189 782151249 /nfs/dbraw/zinc/15/12/49/782151249.db2.gz XVJOMHOEOJBING-GMTAPVOTSA-N 1 1 302.375 -1.633 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2ccccn2)[C@H]2NCN[C@@H]21 ZINC001198200907 782151531 /nfs/dbraw/zinc/15/15/31/782151531.db2.gz SUKVYRQWYITTGE-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001198143127 782151670 /nfs/dbraw/zinc/15/16/70/782151670.db2.gz QIKSJDTVJBTPIP-UHFFFAOYSA-N 1 1 323.415 -1.921 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001198143127 782151673 /nfs/dbraw/zinc/15/16/73/782151673.db2.gz QIKSJDTVJBTPIP-UHFFFAOYSA-N 1 1 323.415 -1.921 20 0 DAADMO C[C@H](OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1nccn1C ZINC001198233307 782151786 /nfs/dbraw/zinc/15/17/86/782151786.db2.gz GWLSZSSCZKFGIH-QJPTWQEYSA-N 1 1 312.370 -1.349 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cnn2cc[nH]c12 ZINC001198125894 782150302 /nfs/dbraw/zinc/15/03/02/782150302.db2.gz BWZPRCMKIGATML-VXGBXAGGSA-N 1 1 323.353 -1.554 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cnn2cc[nH]c12 ZINC001198125894 782150308 /nfs/dbraw/zinc/15/03/08/782150308.db2.gz BWZPRCMKIGATML-VXGBXAGGSA-N 1 1 323.353 -1.554 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 ZINC001198366933 782153109 /nfs/dbraw/zinc/15/31/09/782153109.db2.gz WBIJHTJVMRZAMJ-HBNTYKKESA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1ncccn1 ZINC001152420922 782151962 /nfs/dbraw/zinc/15/19/62/782151962.db2.gz MJVROHCZVZAAQK-VIFPVBQESA-N 1 1 318.341 -1.366 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268875 782152039 /nfs/dbraw/zinc/15/20/39/782152039.db2.gz MIZISDQGJZTKDO-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268875 782152046 /nfs/dbraw/zinc/15/20/46/782152046.db2.gz MIZISDQGJZTKDO-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccn2CC(F)(F)F)[C@@H]2NCN[C@@H]21 ZINC001198311342 782154106 /nfs/dbraw/zinc/15/41/06/782154106.db2.gz OFVCDJPVHCYFPH-PRJMDXOYSA-N 1 1 319.291 -1.422 20 0 DAADMO O=C(CNC(=O)C1CCCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198352088 782154125 /nfs/dbraw/zinc/15/41/25/782154125.db2.gz ATKPDJSWYDEQNU-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1)OC ZINC001198490518 782155607 /nfs/dbraw/zinc/15/56/07/782155607.db2.gz XAAFSPUWKBQYSY-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001198490302 782155636 /nfs/dbraw/zinc/15/56/36/782155636.db2.gz UJHCPDMEJATCFH-NXEZZACHSA-N 1 1 311.346 -2.502 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001198490302 782155638 /nfs/dbraw/zinc/15/56/38/782155638.db2.gz UJHCPDMEJATCFH-NXEZZACHSA-N 1 1 311.346 -2.502 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489210 782155659 /nfs/dbraw/zinc/15/56/59/782155659.db2.gz AQBNSEZNEDWVEP-HBNTYKKESA-N 1 1 302.375 -1.633 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001198501307 782155934 /nfs/dbraw/zinc/15/59/34/782155934.db2.gz WJUPUVFOHODOGG-IVZWLZJFSA-N 1 1 316.333 -1.505 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198499896 782156553 /nfs/dbraw/zinc/15/65/53/782156553.db2.gz DBJAASBZXZPYML-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336814823 521949936 /nfs/dbraw/zinc/94/99/36/521949936.db2.gz YEEUEJPKWOCHLG-JTQLQIEISA-N 1 1 313.445 -1.122 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336814823 521949945 /nfs/dbraw/zinc/94/99/45/521949945.db2.gz YEEUEJPKWOCHLG-JTQLQIEISA-N 1 1 313.445 -1.122 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC001198572373 782157384 /nfs/dbraw/zinc/15/73/84/782157384.db2.gz GCOFBSKJZAKTJV-NSHDSACASA-N 1 1 303.388 -1.344 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001198508279 782158110 /nfs/dbraw/zinc/15/81/10/782158110.db2.gz RKYRRWDAYBUITD-IJLUTSLNSA-N 1 1 324.381 -1.064 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccccn3c2=O)[C@@H]2NCN[C@@H]21 ZINC001198550213 782158288 /nfs/dbraw/zinc/15/82/88/782158288.db2.gz VWLNBCNGEGCMGF-UTUOFQBUSA-N 1 1 315.337 -2.173 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccccn3c2=O)[C@H]2NCN[C@@H]21 ZINC001198550210 782158309 /nfs/dbraw/zinc/15/83/09/782158309.db2.gz VWLNBCNGEGCMGF-IJLUTSLNSA-N 1 1 315.337 -2.173 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2O)C1 ZINC001198654159 782159493 /nfs/dbraw/zinc/15/94/93/782159493.db2.gz OHJGGQHMPYEKNA-MGPQQGTHSA-N 1 1 324.425 -1.374 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672337 782160006 /nfs/dbraw/zinc/16/00/06/782160006.db2.gz NCLUNYAJTKSXHB-VXGBXAGGSA-N 1 1 309.370 -1.511 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654253 782160355 /nfs/dbraw/zinc/16/03/55/782160355.db2.gz QNTCOWRKKJTISK-JHJVBQTASA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001198672657 782160533 /nfs/dbraw/zinc/16/05/33/782160533.db2.gz PEJGKLDYYYDPRR-NXEZZACHSA-N 1 1 324.341 -2.452 20 0 DAADMO O=C(C[C@H]1CCCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198706442 782161242 /nfs/dbraw/zinc/16/12/42/782161242.db2.gz HVFKXBVQPGAABJ-MGPQQGTHSA-N 1 1 316.398 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O ZINC001198721719 782161802 /nfs/dbraw/zinc/16/18/02/782161802.db2.gz ASKSJIJROJJWAB-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001198713856 782161684 /nfs/dbraw/zinc/16/16/84/782161684.db2.gz ICOITSHFTSJZDF-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198722729 782161920 /nfs/dbraw/zinc/16/19/20/782161920.db2.gz XZJAADQFZFFGGS-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000353101738 520155601 /nfs/dbraw/zinc/15/56/01/520155601.db2.gz KEWQXJYIVWPMGS-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CCN(CCO)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353101770 521084478 /nfs/dbraw/zinc/08/44/78/521084478.db2.gz LAPOKJIAJKNVGF-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000337988272 521672548 /nfs/dbraw/zinc/67/25/48/521672548.db2.gz YTBOJOIJICTJOB-ZDUSSCGKSA-N 1 1 323.459 -1.059 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000354511038 521708729 /nfs/dbraw/zinc/70/87/29/521708729.db2.gz OUWKZVXSPQFJIX-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000354511038 521708731 /nfs/dbraw/zinc/70/87/31/521708731.db2.gz OUWKZVXSPQFJIX-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364810027 522198784 /nfs/dbraw/zinc/19/87/84/522198784.db2.gz VNOLWFPPVDMABX-QWRGUYRKSA-N 1 1 320.415 -1.302 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000365695388 522232237 /nfs/dbraw/zinc/23/22/37/522232237.db2.gz JGKSJZZRSOZSNE-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000365695388 522232243 /nfs/dbraw/zinc/23/22/43/522232243.db2.gz JGKSJZZRSOZSNE-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(CC(=O)N1CCN(c2[nH+]ccn2C)CC1)S(C)(=O)=O ZINC000265806875 522442024 /nfs/dbraw/zinc/44/20/24/522442024.db2.gz YPQCLXMIPQZYPU-UHFFFAOYSA-N 1 1 315.399 -1.040 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)C[C@H](O)CN1CCOCC1 ZINC000336857073 522743865 /nfs/dbraw/zinc/74/38/65/522743865.db2.gz QBHSQKNJQRFAAX-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336850174 522744894 /nfs/dbraw/zinc/74/48/94/522744894.db2.gz VXACGWDHUNVIKS-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO COC[C@H](O)CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000338454040 522794286 /nfs/dbraw/zinc/79/42/86/522794286.db2.gz CTFZPKPUTGXRAH-NWDGAFQWSA-N 1 1 316.402 -1.120 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336842448 522820094 /nfs/dbraw/zinc/82/00/94/522820094.db2.gz SATJITMDPIGOLN-LLVKDONJSA-N 1 1 300.359 -1.837 20 0 DAADMO C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336829319 522821696 /nfs/dbraw/zinc/82/16/96/522821696.db2.gz CMDJUGSCWRRZIK-SECBINFHSA-N 1 1 304.372 -1.496 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336829319 522821710 /nfs/dbraw/zinc/82/17/10/522821710.db2.gz CMDJUGSCWRRZIK-SECBINFHSA-N 1 1 304.372 -1.496 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)C[C@H](O)CN1CCOCC1 ZINC000336842449 522822198 /nfs/dbraw/zinc/82/21/98/522822198.db2.gz SATJITMDPIGOLN-NSHDSACASA-N 1 1 300.359 -1.837 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849187 523092987 /nfs/dbraw/zinc/09/29/87/523092987.db2.gz QKGLFIPFHNRYGL-AAEUAGOBSA-N 1 1 320.459 -1.053 20 0 DAADMO CC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@H](C)O ZINC000245520592 523230524 /nfs/dbraw/zinc/23/05/24/523230524.db2.gz JSXHUSCNBBESHK-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000339312131 523585412 /nfs/dbraw/zinc/58/54/12/523585412.db2.gz ZRKIJUJINKLXAX-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000264802508 523679620 /nfs/dbraw/zinc/67/96/20/523679620.db2.gz AQWWUUJTTPPBJP-UHFFFAOYSA-N 1 1 312.326 -1.755 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338344132 523978463 /nfs/dbraw/zinc/97/84/63/523978463.db2.gz FRNCIODRGCUJSH-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cnnn1 ZINC000338181360 524015892 /nfs/dbraw/zinc/01/58/92/524015892.db2.gz UBFMEGMPABPKOB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000339314399 524638780 /nfs/dbraw/zinc/63/87/80/524638780.db2.gz GMDWMQCLEQGMQG-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1CO ZINC000339490922 524746360 /nfs/dbraw/zinc/74/63/60/524746360.db2.gz RYCPESWMAJPDLF-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@H](Cn1cccn1)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000264943838 524776271 /nfs/dbraw/zinc/77/62/71/524776271.db2.gz AUFQUBHLPSBBPX-SECBINFHSA-N 1 1 320.353 -1.276 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369025875 525194318 /nfs/dbraw/zinc/19/43/18/525194318.db2.gz FXRUNZAMQLWPRZ-QWRGUYRKSA-N 1 1 320.415 -1.302 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1O ZINC001198761130 782163717 /nfs/dbraw/zinc/16/37/17/782163717.db2.gz CULBXIZLOQJHCS-KIDURHIOSA-N 1 1 319.427 -1.257 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000266220002 525755568 /nfs/dbraw/zinc/75/55/68/525755568.db2.gz LQDQCTYQVASQNA-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC000266219999 525791654 /nfs/dbraw/zinc/79/16/54/525791654.db2.gz LQDQCTYQVASQNA-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1C ZINC000266220005 525793647 /nfs/dbraw/zinc/79/36/47/525793647.db2.gz LQDQCTYQVASQNA-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCS(=O)(=O)N(C)C)CC1 ZINC000360903720 525794142 /nfs/dbraw/zinc/79/41/42/525794142.db2.gz NZRBPPDBZAJTTQ-LLVKDONJSA-N 1 1 322.431 -1.414 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2cnccn2)C1 ZINC001198827199 782164116 /nfs/dbraw/zinc/16/41/16/782164116.db2.gz UNFJKTOGBJHPCP-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(=O)n(CC3CC3)c2)[C@H]2NCN[C@H]21 ZINC001198920755 782164827 /nfs/dbraw/zinc/16/48/27/782164827.db2.gz CIUBJZCXCOICOS-BFHYXJOUSA-N 1 1 318.381 -1.609 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000337234173 527298885 /nfs/dbraw/zinc/29/88/85/527298885.db2.gz ZOHGFIUMIXMZPB-NSHDSACASA-N 1 1 320.415 -1.650 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000337234173 527298889 /nfs/dbraw/zinc/29/88/89/527298889.db2.gz ZOHGFIUMIXMZPB-NSHDSACASA-N 1 1 320.415 -1.650 20 0 DAADMO Cn1cc[nH+]c1N1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000266895739 527446027 /nfs/dbraw/zinc/44/60/27/527446027.db2.gz FAYVFWLAKZWNIW-UHFFFAOYSA-N 1 1 306.370 -1.500 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1=O ZINC001198839531 782165579 /nfs/dbraw/zinc/16/55/79/782165579.db2.gz HJHCSDJKZVLVNP-FRRDWIJNSA-N 1 1 322.369 -2.373 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500127 782165982 /nfs/dbraw/zinc/16/59/82/782165982.db2.gz HGTDHEHMKGYZIF-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152500127 782165991 /nfs/dbraw/zinc/16/59/91/782165991.db2.gz HGTDHEHMKGYZIF-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001198974815 782166609 /nfs/dbraw/zinc/16/66/09/782166609.db2.gz HFFMTEGIWKULQO-GMTAPVOTSA-N 1 1 323.415 -2.190 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001199042758 782167140 /nfs/dbraw/zinc/16/71/40/782167140.db2.gz LAYJMXRWMKTBCO-OPRDCNLKSA-N 1 1 302.375 -1.764 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199043289 782167581 /nfs/dbraw/zinc/16/75/81/782167581.db2.gz QZGJARNFADFECW-NXEZZACHSA-N 1 1 302.375 -1.762 20 0 DAADMO COCCOc1cncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001199000496 782167660 /nfs/dbraw/zinc/16/76/60/782167660.db2.gz RYMQIIPKHWZJMX-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 ZINC001199043526 782167731 /nfs/dbraw/zinc/16/77/31/782167731.db2.gz WARSSPOQEMGMNN-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO COCCOc1cncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001199000494 782167920 /nfs/dbraw/zinc/16/79/20/782167920.db2.gz RYMQIIPKHWZJMX-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO CN(CCO)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340240844 536388443 /nfs/dbraw/zinc/38/84/43/536388443.db2.gz YTKKFHNTTHEQHH-UHFFFAOYSA-N 1 1 300.359 -2.283 20 0 DAADMO CO[C@H]1C[C@@H](CN(C)C(=O)Cn2ccc(=O)n(C)c2=O)[N@@H+](C)C1 ZINC000284572111 536778526 /nfs/dbraw/zinc/77/85/26/536778526.db2.gz HVIJCDNVEAVZEH-RYUDHWBXSA-N 1 1 324.381 -1.276 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001199119774 782168812 /nfs/dbraw/zinc/16/88/12/782168812.db2.gz UQOBZKBFRPEUAW-CHWSQXEVSA-N 1 1 312.414 -1.280 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370774551 545642267 /nfs/dbraw/zinc/64/22/67/545642267.db2.gz QCLOHEHDVVDSPH-AMIZOPFISA-N 1 1 311.342 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370774551 545642272 /nfs/dbraw/zinc/64/22/72/545642272.db2.gz QCLOHEHDVVDSPH-AMIZOPFISA-N 1 1 311.342 -1.153 20 0 DAADMO C[C@@H]1C[NH+](C[C@@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000441717442 545642614 /nfs/dbraw/zinc/64/26/14/545642614.db2.gz LICWNUWCSPWKBX-GMTAPVOTSA-N 1 1 322.369 -1.005 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000120940290 545643286 /nfs/dbraw/zinc/64/32/86/545643286.db2.gz XSLFYXSLLZJWRX-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000668360317 545645569 /nfs/dbraw/zinc/64/55/69/545645569.db2.gz YVZJLJSSDSIEQJ-OJAKKHQRSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1ccnc1)[C@H]1C[N@H+](C)CCO1 ZINC000670639830 545654462 /nfs/dbraw/zinc/65/44/62/545654462.db2.gz LXLPQQZHVIZVSF-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000328911430 545654976 /nfs/dbraw/zinc/65/49/76/545654976.db2.gz GIGIMDYNBXLXQY-NXEZZACHSA-N 1 1 301.372 -1.091 20 0 DAADMO Cn1nncc1S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000328911430 545654983 /nfs/dbraw/zinc/65/49/83/545654983.db2.gz GIGIMDYNBXLXQY-NXEZZACHSA-N 1 1 301.372 -1.091 20 0 DAADMO Cn1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000668535481 545655173 /nfs/dbraw/zinc/65/51/73/545655173.db2.gz ARAVDNNOBLYXES-ZDUSSCGKSA-N 1 1 308.382 -1.010 20 0 DAADMO C[C@H]1COCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596699 545655621 /nfs/dbraw/zinc/65/56/21/545655621.db2.gz VUPMGWHRZXLCRH-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[NH+]1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 ZINC000093178554 545657950 /nfs/dbraw/zinc/65/79/50/545657950.db2.gz WIDTWWRDCRHVNX-UHFFFAOYSA-N 1 1 314.430 -1.613 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000668696060 545658687 /nfs/dbraw/zinc/65/86/87/545658687.db2.gz LMEXUMRXPZEQKT-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000668696060 545658692 /nfs/dbraw/zinc/65/86/92/545658692.db2.gz LMEXUMRXPZEQKT-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000668696060 545658700 /nfs/dbraw/zinc/65/87/00/545658700.db2.gz LMEXUMRXPZEQKT-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000407979090 545664267 /nfs/dbraw/zinc/66/42/67/545664267.db2.gz ORSORNDVVXEXOK-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000651012355 545676292 /nfs/dbraw/zinc/67/62/92/545676292.db2.gz OPGWSPJKVBWQGH-NSHDSACASA-N 1 1 322.369 -1.300 20 0 DAADMO O=C(CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CCOCC1 ZINC000651012653 545676998 /nfs/dbraw/zinc/67/69/98/545676998.db2.gz XRKKYUNXYFPNIN-GFCCVEGCSA-N 1 1 312.370 -1.694 20 0 DAADMO O=C(CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CCOCC1 ZINC000651012653 545677003 /nfs/dbraw/zinc/67/70/03/545677003.db2.gz XRKKYUNXYFPNIN-GFCCVEGCSA-N 1 1 312.370 -1.694 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651028878 545678969 /nfs/dbraw/zinc/67/89/69/545678969.db2.gz BWQABZWUKMRFFZ-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCN2C1=O ZINC000674468092 545679903 /nfs/dbraw/zinc/67/99/03/545679903.db2.gz MYLSMPLZADVRTI-SNVBAGLBSA-N 1 1 323.353 -1.103 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)S(C)(=O)=O ZINC000674465018 545679976 /nfs/dbraw/zinc/67/99/76/545679976.db2.gz MWUIJYDZSJEXRF-PHIMTYICSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)S(C)(=O)=O ZINC000674465018 545679985 /nfs/dbraw/zinc/67/99/85/545679985.db2.gz MWUIJYDZSJEXRF-PHIMTYICSA-N 1 1 323.415 -2.188 20 0 DAADMO COC(=O)CNC(=O)CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602874407 545680610 /nfs/dbraw/zinc/68/06/10/545680610.db2.gz DOXAABIDTAJKRD-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636767269 545680972 /nfs/dbraw/zinc/68/09/72/545680972.db2.gz GBQOKXGMKYFNMM-LLVKDONJSA-N 1 1 319.431 -1.825 20 0 DAADMO CCN(C#N)CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000602791862 545681328 /nfs/dbraw/zinc/68/13/28/545681328.db2.gz WLQJFDIUACSYMT-STQMWFEESA-N 1 1 316.427 -1.123 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602907303 545681417 /nfs/dbraw/zinc/68/14/17/545681417.db2.gz MFKCYWIKXDXOOC-LLVKDONJSA-N 1 1 311.342 -1.342 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602907303 545681424 /nfs/dbraw/zinc/68/14/24/545681424.db2.gz MFKCYWIKXDXOOC-LLVKDONJSA-N 1 1 311.342 -1.342 20 0 DAADMO CCN(C#N)CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000602791605 545681651 /nfs/dbraw/zinc/68/16/51/545681651.db2.gz WLQJFDIUACSYMT-QWHCGFSZSA-N 1 1 316.427 -1.123 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602907304 545681745 /nfs/dbraw/zinc/68/17/45/545681745.db2.gz MFKCYWIKXDXOOC-NSHDSACASA-N 1 1 311.342 -1.342 20 0 DAADMO CCN1CCN(CC(=O)N2CCc3nc[nH]c3C2)C(=O)C1=O ZINC000647735996 545683059 /nfs/dbraw/zinc/68/30/59/545683059.db2.gz VAPQYYMBXPXCIK-UHFFFAOYSA-N 1 1 305.338 -1.015 20 0 DAADMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N1CCNC(=O)C1 ZINC000029597483 545685203 /nfs/dbraw/zinc/68/52/03/545685203.db2.gz UDQMKOVLAJCJEH-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000332890351 545688147 /nfs/dbraw/zinc/68/81/47/545688147.db2.gz JKKOZFNQWWIEDT-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000332890351 545688153 /nfs/dbraw/zinc/68/81/53/545688153.db2.gz JKKOZFNQWWIEDT-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C[C@H]21 ZINC000671815962 545688405 /nfs/dbraw/zinc/68/84/05/545688405.db2.gz AIKDCVQXNPAXOY-IACUBPJLSA-N 1 1 322.409 -1.119 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342447104 545691196 /nfs/dbraw/zinc/69/11/96/545691196.db2.gz LILLNIMAIBARMW-SNVBAGLBSA-N 1 1 321.399 -1.369 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000441229451 545698706 /nfs/dbraw/zinc/69/87/06/545698706.db2.gz SZBZMYFIYCXAJR-SKDRFNHKSA-N 1 1 316.354 -1.090 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)C1 ZINC000331182676 545702856 /nfs/dbraw/zinc/70/28/56/545702856.db2.gz NMRIZCFNUUDRHW-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CC[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC[N@H+]1C[C@@H](C)O ZINC000331322530 545703776 /nfs/dbraw/zinc/70/37/76/545703776.db2.gz MINJKLGESUJBAJ-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648216 545704436 /nfs/dbraw/zinc/70/44/36/545704436.db2.gz IKJWOJOIRQFYLM-GARJFASQSA-N 1 1 305.400 -1.456 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000343894364 545709643 /nfs/dbraw/zinc/70/96/43/545709643.db2.gz RSRUTSHSBLRZNQ-NNOLRYQLSA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000343894364 545709651 /nfs/dbraw/zinc/70/96/51/545709651.db2.gz RSRUTSHSBLRZNQ-NNOLRYQLSA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000347043145 545714486 /nfs/dbraw/zinc/71/44/86/545714486.db2.gz FEVJLZNSEHBFRT-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000347425416 545717319 /nfs/dbraw/zinc/71/73/19/545717319.db2.gz HYTPMJXTBSYKLB-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347330483 545717661 /nfs/dbraw/zinc/71/76/61/545717661.db2.gz JDZRHXAWZFVKSS-GARJFASQSA-N 1 1 303.359 -1.335 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347330483 545717663 /nfs/dbraw/zinc/71/76/63/545717663.db2.gz JDZRHXAWZFVKSS-GARJFASQSA-N 1 1 303.359 -1.335 20 0 DAADMO Cn1[nH]c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1=O ZINC000329569465 545720109 /nfs/dbraw/zinc/72/01/09/545720109.db2.gz IJAPEWSKDSZJCK-LLVKDONJSA-N 1 1 308.386 -1.153 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@]2(CO)CCOC2)cn1 ZINC000329684932 545722576 /nfs/dbraw/zinc/72/25/76/545722576.db2.gz YHUXZBUDSGNQOF-LBPRGKRZSA-N 1 1 318.399 -1.218 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@]2(CO)CCOC2)cn1 ZINC000329684932 545722583 /nfs/dbraw/zinc/72/25/83/545722583.db2.gz YHUXZBUDSGNQOF-LBPRGKRZSA-N 1 1 318.399 -1.218 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCO[C@@H](Cn3cncn3)C2)CC1 ZINC000331595715 545727591 /nfs/dbraw/zinc/72/75/91/545727591.db2.gz CZFCPQKLROZPSJ-CYBMUJFWSA-N 1 1 308.386 -1.247 20 0 DAADMO CN1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332094377 545729947 /nfs/dbraw/zinc/72/99/47/545729947.db2.gz OQFPJKLADCHYDZ-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000532757446 545733578 /nfs/dbraw/zinc/73/35/78/545733578.db2.gz WGSFMYDRYCQHLK-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000532757446 545733585 /nfs/dbraw/zinc/73/35/85/545733585.db2.gz WGSFMYDRYCQHLK-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000353022962 545736322 /nfs/dbraw/zinc/73/63/22/545736322.db2.gz FLFUTJILSZZUDB-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000353022962 545736328 /nfs/dbraw/zinc/73/63/28/545736328.db2.gz FLFUTJILSZZUDB-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO C[NH+]1CCN([C@@H](C(=O)N[C@H](CO)C(N)=O)c2ccccc2)CC1 ZINC000353003174 545736784 /nfs/dbraw/zinc/73/67/84/545736784.db2.gz KQZHKJJKRFKSPX-ZIAGYGMSSA-N 1 1 320.393 -1.063 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358045396 545739086 /nfs/dbraw/zinc/73/90/86/545739086.db2.gz JODMFZWDSBGQPB-CMPLNLGQSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000358052005 545740180 /nfs/dbraw/zinc/74/01/80/545740180.db2.gz ZKLFARKTAMQNAH-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000367294037 545740735 /nfs/dbraw/zinc/74/07/35/545740735.db2.gz ASPWRVZAIRSLPA-NSHDSACASA-N 1 1 323.397 -1.048 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000358063103 545740750 /nfs/dbraw/zinc/74/07/50/545740750.db2.gz YMXZGQQUSJIBHT-GFCCVEGCSA-N 1 1 317.367 -1.016 20 0 DAADMO COCCn1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358220121 545742466 /nfs/dbraw/zinc/74/24/66/545742466.db2.gz YWIOYHPQMIMUPY-GFCCVEGCSA-N 1 1 318.399 -1.126 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1=NN(CCO)C(=O)CC1 ZINC000362435315 545743574 /nfs/dbraw/zinc/74/35/74/545743574.db2.gz VANCJYBFJKPXOH-VXGBXAGGSA-N 1 1 324.381 -1.064 20 0 DAADMO NC(=O)CSCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362664444 545743993 /nfs/dbraw/zinc/74/39/93/545743993.db2.gz NMWSUPUSKNZFEZ-JTQLQIEISA-N 1 1 314.411 -1.372 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000363003536 545745918 /nfs/dbraw/zinc/74/59/18/545745918.db2.gz MLBKHOYXVGFCCB-UWVGGRQHSA-N 1 1 324.337 -1.614 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362841993 545747424 /nfs/dbraw/zinc/74/74/24/545747424.db2.gz XUFFFLBSQVBSTA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000362784208 545747525 /nfs/dbraw/zinc/74/75/25/545747525.db2.gz AOUDGWOASMGLIZ-OLZOCXBDSA-N 1 1 312.414 -1.251 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000363147464 545747773 /nfs/dbraw/zinc/74/77/73/545747773.db2.gz UWARAGNMUTZOFK-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000368737254 545751713 /nfs/dbraw/zinc/75/17/13/545751713.db2.gz LWNLJHXHAUCBIR-OAHLLOKOSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1C(=O)CCC1=O ZINC000520766234 545760561 /nfs/dbraw/zinc/76/05/61/545760561.db2.gz OSGJMYZUDBIFKG-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000419355009 545765321 /nfs/dbraw/zinc/76/53/21/545765321.db2.gz LRCLVYCYACUQLA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000419355009 545765326 /nfs/dbraw/zinc/76/53/26/545765326.db2.gz LRCLVYCYACUQLA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000419358942 545765783 /nfs/dbraw/zinc/76/57/83/545765783.db2.gz QCGZUINDYYYGIS-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000419358942 545765788 /nfs/dbraw/zinc/76/57/88/545765788.db2.gz QCGZUINDYYYGIS-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@@H](C)N1 ZINC000419774464 545768410 /nfs/dbraw/zinc/76/84/10/545768410.db2.gz JUVZDOTTZWSCFI-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000419444191 545769179 /nfs/dbraw/zinc/76/91/79/545769179.db2.gz CCEXTMQQLLBVLF-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C([C@H]1CCCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035125 545774330 /nfs/dbraw/zinc/77/43/30/545774330.db2.gz CBLDJDVESOGOQZ-NSHDSACASA-N 1 1 317.411 -1.141 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000444383055 545781864 /nfs/dbraw/zinc/78/18/64/545781864.db2.gz QGVRQHZPGUGPPJ-MDZLAQPJSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000456209280 545783612 /nfs/dbraw/zinc/78/36/12/545783612.db2.gz ATTABIRKBDJGBE-BETUJISGSA-N 1 1 312.414 -1.326 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000459829325 545785944 /nfs/dbraw/zinc/78/59/44/545785944.db2.gz WBDNTUZFAPWVNB-UHFFFAOYSA-N 1 1 301.387 -1.258 20 0 DAADMO C[NH+]1CCN(CC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669919853 545789895 /nfs/dbraw/zinc/78/98/95/545789895.db2.gz XBOXVNOBHBVKAN-UHFFFAOYSA-N 1 1 304.416 -1.570 20 0 DAADMO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)N3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC000487358969 545794377 /nfs/dbraw/zinc/79/43/77/545794377.db2.gz CSOTVULYSLBEBS-PHIMTYICSA-N 1 1 323.440 -1.545 20 0 DAADMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)N3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC000487358969 545794384 /nfs/dbraw/zinc/79/43/84/545794384.db2.gz CSOTVULYSLBEBS-PHIMTYICSA-N 1 1 323.440 -1.545 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000487461446 545795003 /nfs/dbraw/zinc/79/50/03/545795003.db2.gz JAEJQJHBWUAXJY-RYUDHWBXSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000487461446 545795013 /nfs/dbraw/zinc/79/50/13/545795013.db2.gz JAEJQJHBWUAXJY-RYUDHWBXSA-N 1 1 301.387 -1.356 20 0 DAADMO C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[N@@H+]1CCO ZINC000490070043 545796148 /nfs/dbraw/zinc/79/61/48/545796148.db2.gz DAIOAMPZBZWOGZ-LLVKDONJSA-N 1 1 309.370 -1.299 20 0 DAADMO C[C@@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[N@H+]1CCO ZINC000490070043 545796151 /nfs/dbraw/zinc/79/61/51/545796151.db2.gz DAIOAMPZBZWOGZ-LLVKDONJSA-N 1 1 309.370 -1.299 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001199105045 782169161 /nfs/dbraw/zinc/16/91/61/782169161.db2.gz ZVJMUFUEXRAWAQ-GHMZBOCLSA-N 1 1 311.390 -1.788 20 0 DAADMO Cn1cc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2=O)cn1 ZINC000674252843 545804325 /nfs/dbraw/zinc/80/43/25/545804325.db2.gz USAPSUSYABHXFB-UHFFFAOYSA-N 1 1 320.397 -1.157 20 0 DAADMO C[C@H](CCO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000649866718 545805647 /nfs/dbraw/zinc/80/56/47/545805647.db2.gz XKSNYBRYVMLTCW-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023349 545810566 /nfs/dbraw/zinc/81/05/66/545810566.db2.gz ASRMRMSFDAWXAT-UONOGXRCSA-N 1 1 324.425 -1.230 20 0 DAADMO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656022341 545810940 /nfs/dbraw/zinc/81/09/40/545810940.db2.gz WSRBVTPQOYFIBL-ZDEQEGDKSA-N 1 1 310.398 -1.350 20 0 DAADMO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023134 545811287 /nfs/dbraw/zinc/81/12/87/545811287.db2.gz WGXGGGITNCEVIV-XJFOESAGSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656020612 545812019 /nfs/dbraw/zinc/81/20/19/545812019.db2.gz SRHJAZGPELGLEG-RWMBFGLXSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656022769 545812110 /nfs/dbraw/zinc/81/21/10/545812110.db2.gz LTUUFFRBWMHPQG-RWMBFGLXSA-N 1 1 310.398 -1.478 20 0 DAADMO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656062743 545812965 /nfs/dbraw/zinc/81/29/65/545812965.db2.gz OYCFZNDXIFAKLH-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656062743 545812972 /nfs/dbraw/zinc/81/29/72/545812972.db2.gz OYCFZNDXIFAKLH-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656072361 545813122 /nfs/dbraw/zinc/81/31/22/545813122.db2.gz LXVXCAQFLUBGKT-MROQNXINSA-N 1 1 311.382 -1.100 20 0 DAADMO COC1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656060969 545813162 /nfs/dbraw/zinc/81/31/62/545813162.db2.gz VOUKYIRIFGZJCY-NWDGAFQWSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062320 545813343 /nfs/dbraw/zinc/81/33/43/545813343.db2.gz FDUWGWOLUATOEU-YNEHKIRRSA-N 1 1 311.382 -1.099 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820100 545813943 /nfs/dbraw/zinc/81/39/43/545813943.db2.gz CDXVNVMJYVSZRW-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820101 545813965 /nfs/dbraw/zinc/81/39/65/545813965.db2.gz CDXVNVMJYVSZRW-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656105160 545814918 /nfs/dbraw/zinc/81/49/18/545814918.db2.gz YNYMBHJXCVIYRR-RQJABVFESA-N 1 1 324.425 -1.008 20 0 DAADMO COCC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656087865 545814995 /nfs/dbraw/zinc/81/49/95/545814995.db2.gz ZCCIZKAUWMBXQU-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(CCOCCO)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656078636 545815267 /nfs/dbraw/zinc/81/52/67/545815267.db2.gz DGZQMYCEQJHOOJ-NWDGAFQWSA-N 1 1 315.370 -2.269 20 0 DAADMO O=C(C(=O)N1CCOC[C@H]1C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076215 545815537 /nfs/dbraw/zinc/81/55/37/545815537.db2.gz GEPSPEWPCCNYIO-MJBXVCDLSA-N 1 1 323.393 -1.099 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000656104235 545816643 /nfs/dbraw/zinc/81/66/43/545816643.db2.gz LEPTXIYHIHWSFE-OQMKEHIESA-N 1 1 324.425 -1.293 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H](C)C[NH2+]1 ZINC000656104001 545816657 /nfs/dbraw/zinc/81/66/57/545816657.db2.gz FMHKSBYTPLTJQD-FVCCEPFGSA-N 1 1 310.398 -1.527 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000656103969 545817034 /nfs/dbraw/zinc/81/70/34/545817034.db2.gz DOIMYUPAOATABB-RQJABVFESA-N 1 1 322.409 -1.526 20 0 DAADMO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104159 545817051 /nfs/dbraw/zinc/81/70/51/545817051.db2.gz IVIOZDMNUDUNEI-KWCYVHTRSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000656104343 545817118 /nfs/dbraw/zinc/81/71/18/545817118.db2.gz OJTUYCSTDSUESN-FQUUOJAGSA-N 1 1 322.409 -1.526 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104647 545817140 /nfs/dbraw/zinc/81/71/40/545817140.db2.gz SYPMXRKBBNVXEV-RFQIPJPRSA-N 1 1 324.425 -1.293 20 0 DAADMO CCC[C@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104659 545817292 /nfs/dbraw/zinc/81/72/92/545817292.db2.gz TZWGTCZNVFCFFQ-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO CCC[C@H]1CNCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104659 545817296 /nfs/dbraw/zinc/81/72/96/545817296.db2.gz TZWGTCZNVFCFFQ-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000656104648 545817313 /nfs/dbraw/zinc/81/73/13/545817313.db2.gz SYPMXRKBBNVXEV-XDQVBPFNSA-N 1 1 324.425 -1.293 20 0 DAADMO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104267 545817495 /nfs/dbraw/zinc/81/74/95/545817495.db2.gz MNACRJKFURLCIR-ZOBORPQBSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(NCc1ccccn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656282524 545817650 /nfs/dbraw/zinc/81/76/50/545817650.db2.gz MUNCYLMQGMZLEM-QWHCGFSZSA-N 1 1 304.350 -1.025 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000656104650 545817983 /nfs/dbraw/zinc/81/79/83/545817983.db2.gz SYPMXRKBBNVXEV-ZOBORPQBSA-N 1 1 324.425 -1.293 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104649 545818157 /nfs/dbraw/zinc/81/81/57/545818157.db2.gz SYPMXRKBBNVXEV-YIYPIFLZSA-N 1 1 324.425 -1.293 20 0 DAADMO O=C(NCC[C@@H]1CCOC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656320645 545818750 /nfs/dbraw/zinc/81/87/50/545818750.db2.gz QTKSPGWEHYSARR-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337847 545818788 /nfs/dbraw/zinc/81/87/88/545818788.db2.gz QBRHRJAPMPEKBG-LOWDOPEQSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccn(C)n1 ZINC000656336725 545818961 /nfs/dbraw/zinc/81/89/61/545818961.db2.gz AVHMVUBYXIBJCC-GRYCIOLGSA-N 1 1 321.381 -1.125 20 0 DAADMO COCCOCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656300874 545819141 /nfs/dbraw/zinc/81/91/41/545819141.db2.gz VLNPLMBODCBVKP-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cnn(C)c1 ZINC000656313555 545819567 /nfs/dbraw/zinc/81/95/67/545819567.db2.gz SIMKNOKJYNYZBZ-KGYLQXTDSA-N 1 1 321.381 -1.125 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H](O)C2CC2)c(=O)n(C)c1=O ZINC000156586529 545819602 /nfs/dbraw/zinc/81/96/02/545819602.db2.gz WAXAXUMLQQJTBB-VIFPVBQESA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H](O)C2CC2)c(=O)n(C)c1=O ZINC000156586529 545819606 /nfs/dbraw/zinc/81/96/06/545819606.db2.gz WAXAXUMLQQJTBB-VIFPVBQESA-N 1 1 310.354 -1.448 20 0 DAADMO COCC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000656314676 545819924 /nfs/dbraw/zinc/81/99/24/545819924.db2.gz BBTKVDOXPUAIQR-GFCCVEGCSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000656309077 545819768 /nfs/dbraw/zinc/81/97/68/545819768.db2.gz IWTUYBYSMLBESM-KWCYVHTRSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000656309077 545819776 /nfs/dbraw/zinc/81/97/76/545819776.db2.gz IWTUYBYSMLBESM-KWCYVHTRSA-N 1 1 324.425 -1.137 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656332229 545820007 /nfs/dbraw/zinc/82/00/07/545820007.db2.gz VGBJBNBMMYIIKV-WDEREUQCSA-N 1 1 312.370 -2.142 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656339556 545820669 /nfs/dbraw/zinc/82/06/69/545820669.db2.gz JYIILKUUNPZANF-CLPYTZEMSA-N 1 1 309.366 -1.300 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656316185 545820702 /nfs/dbraw/zinc/82/07/02/545820702.db2.gz PVHLLXRNUPPVNE-ZOBORPQBSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316185 545820708 /nfs/dbraw/zinc/82/07/08/545820708.db2.gz PVHLLXRNUPPVNE-ZOBORPQBSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H](C(=O)N[C@@H](CO)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385521 545824851 /nfs/dbraw/zinc/82/48/51/545824851.db2.gz LMPDXKZXNJIEGY-ZIAGYGMSSA-N 1 1 314.430 -1.568 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670407464 545826657 /nfs/dbraw/zinc/82/66/57/545826657.db2.gz SCJTXHNYZNWBDD-NSHDSACASA-N 1 1 307.354 -1.545 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408294 545826869 /nfs/dbraw/zinc/82/68/69/545826869.db2.gz LGZXKYMADOBMNQ-GFCCVEGCSA-N 1 1 316.427 -1.472 20 0 DAADMO CNC(=O)[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000359642842 545827354 /nfs/dbraw/zinc/82/73/54/545827354.db2.gz YSZLBKJPIZFZGB-RQJABVFESA-N 1 1 315.414 -1.097 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670406845 545827753 /nfs/dbraw/zinc/82/77/53/545827753.db2.gz FAXUDQWQEKVCPP-MNOVXSKESA-N 1 1 304.416 -1.570 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(=O)[nH]c1=O ZINC000670446992 545832902 /nfs/dbraw/zinc/83/29/02/545832902.db2.gz BPUFFDRLRMHJKN-SNVBAGLBSA-N 1 1 307.354 -1.394 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)c(=O)[nH]c1=O ZINC000670446992 545832905 /nfs/dbraw/zinc/83/29/05/545832905.db2.gz BPUFFDRLRMHJKN-SNVBAGLBSA-N 1 1 307.354 -1.394 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000658954049 545838629 /nfs/dbraw/zinc/83/86/29/545838629.db2.gz QBAKNTSRQOZMCW-TUAOUCFPSA-N 1 1 301.387 -1.261 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000658954049 545838636 /nfs/dbraw/zinc/83/86/36/545838636.db2.gz QBAKNTSRQOZMCW-TUAOUCFPSA-N 1 1 301.387 -1.261 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1nc2n(n1)CCCN2 ZINC000662905350 545839518 /nfs/dbraw/zinc/83/95/18/545839518.db2.gz CFQUJLKFFIVKJB-LLVKDONJSA-N 1 1 305.386 -1.529 20 0 DAADMO [NH3+]CCCn1cc(C(=O)NC[C@H]2CN3CCN2CCC3)nn1 ZINC000662909071 545840100 /nfs/dbraw/zinc/84/01/00/545840100.db2.gz YCGKDLRASBJKQF-LBPRGKRZSA-N 1 1 307.402 -1.253 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCN1CCC2 ZINC000662908131 545840700 /nfs/dbraw/zinc/84/07/00/545840700.db2.gz ZEEOJLPRUBJLEP-KBPBESRZSA-N 1 1 323.441 -1.249 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000667196228 545857290 /nfs/dbraw/zinc/85/72/90/545857290.db2.gz SDEGRFKTIVDQMC-UHFFFAOYSA-N 1 1 322.431 -1.437 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000672310883 545861446 /nfs/dbraw/zinc/86/14/46/545861446.db2.gz LNNKXVJMOMICBU-RYUDHWBXSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000671960704 545861991 /nfs/dbraw/zinc/86/19/91/545861991.db2.gz GXEYQQZQASKBMR-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000671960703 545862541 /nfs/dbraw/zinc/86/25/41/545862541.db2.gz GXEYQQZQASKBMR-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000672596403 545863871 /nfs/dbraw/zinc/86/38/71/545863871.db2.gz KJLKWBWCPOUOSH-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000672597231 545864131 /nfs/dbraw/zinc/86/41/31/545864131.db2.gz HDUGBBDWQBZFOK-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000672596281 545864193 /nfs/dbraw/zinc/86/41/93/545864193.db2.gz LQVVAPDLAKOTCQ-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000672854882 545864271 /nfs/dbraw/zinc/86/42/71/545864271.db2.gz AYZPASPVZMUTDI-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1ccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC000672962238 545865211 /nfs/dbraw/zinc/86/52/11/545865211.db2.gz TYVKOADWJXAHHR-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1ccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672962238 545865215 /nfs/dbraw/zinc/86/52/15/545865215.db2.gz TYVKOADWJXAHHR-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000673657255 545866108 /nfs/dbraw/zinc/86/61/08/545866108.db2.gz ZSHKRUYAWILPHP-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000673657255 545866111 /nfs/dbraw/zinc/86/61/11/545866111.db2.gz ZSHKRUYAWILPHP-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO COCCN(CC(=O)N(C)C)C(=O)CN1CC[NH+](C)CC1 ZINC000673669896 545866427 /nfs/dbraw/zinc/86/64/27/545866427.db2.gz RHWJEMNOHSVNTI-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000673657254 545866824 /nfs/dbraw/zinc/86/68/24/545866824.db2.gz ZSHKRUYAWILPHP-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000673657254 545866829 /nfs/dbraw/zinc/86/68/29/545866829.db2.gz ZSHKRUYAWILPHP-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000673636658 545866875 /nfs/dbraw/zinc/86/68/75/545866875.db2.gz UZCDJPZBQUBZNF-NSHDSACASA-N 1 1 320.415 -1.732 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000673636658 545866880 /nfs/dbraw/zinc/86/68/80/545866880.db2.gz UZCDJPZBQUBZNF-NSHDSACASA-N 1 1 320.415 -1.732 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCCS(=O)(=O)NC)CCN2C1=O ZINC000674467657 545868054 /nfs/dbraw/zinc/86/80/54/545868054.db2.gz IBPUQLHIXFVNSH-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO Cn1c2ncn(CC[N@@H+]3C[C@H](O)C[C@H](O)C3)c2c(=O)n(C)c1=O ZINC000674498033 545868287 /nfs/dbraw/zinc/86/82/87/545868287.db2.gz NFMGYBPNSVGGNB-AOOOYVTPSA-N 1 1 323.353 -2.139 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCCS(N)(=O)=O)CCN2C1=O ZINC000674469253 545868392 /nfs/dbraw/zinc/86/83/92/545868392.db2.gz YPZMKNNSMVYMSL-VIFPVBQESA-N 1 1 304.372 -1.367 20 0 DAADMO COC[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674764808 545869285 /nfs/dbraw/zinc/86/92/85/545869285.db2.gz LIDQSTAKWXLTHC-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000674905749 545869677 /nfs/dbraw/zinc/86/96/77/545869677.db2.gz ZUZQCPIMFULQOS-UHFFFAOYSA-N 1 1 323.353 -1.819 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676244300 545872532 /nfs/dbraw/zinc/87/25/32/545872532.db2.gz TVWQVVBTQGUCKW-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676244300 545872534 /nfs/dbraw/zinc/87/25/34/545872534.db2.gz TVWQVVBTQGUCKW-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676244298 545872776 /nfs/dbraw/zinc/87/27/76/545872776.db2.gz TVWQVVBTQGUCKW-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244298 545872780 /nfs/dbraw/zinc/87/27/80/545872780.db2.gz TVWQVVBTQGUCKW-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO C[NH+]1CCN(CC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000677444861 545873525 /nfs/dbraw/zinc/87/35/25/545873525.db2.gz NXQXTAMLTYOJEZ-UHFFFAOYSA-N 1 1 314.430 -1.613 20 0 DAADMO CC[N@H+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000677195799 545873860 /nfs/dbraw/zinc/87/38/60/545873860.db2.gz VVMPJINENVJTLN-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CN(CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000677862175 545874994 /nfs/dbraw/zinc/87/49/94/545874994.db2.gz DCOWBJCJBNXVFX-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000677869517 545875145 /nfs/dbraw/zinc/87/51/45/545875145.db2.gz VXFHTRQFUNGQEI-LBPRGKRZSA-N 1 1 306.370 -1.043 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000677883182 545875458 /nfs/dbraw/zinc/87/54/58/545875458.db2.gz MATXCLKJRLTJLO-ZIAGYGMSSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677883182 545875463 /nfs/dbraw/zinc/87/54/63/545875463.db2.gz MATXCLKJRLTJLO-ZIAGYGMSSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677883182 545875473 /nfs/dbraw/zinc/87/54/73/545875473.db2.gz MATXCLKJRLTJLO-ZIAGYGMSSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677883182 545875479 /nfs/dbraw/zinc/87/54/79/545875479.db2.gz MATXCLKJRLTJLO-ZIAGYGMSSA-N 1 1 323.441 -1.168 20 0 DAADMO O=C(NCCCN1C(=O)CNC1=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677883873 545876057 /nfs/dbraw/zinc/87/60/57/545876057.db2.gz DCVYKXRJPAASGC-NSHDSACASA-N 1 1 309.370 -1.566 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000678431818 545877253 /nfs/dbraw/zinc/87/72/53/545877253.db2.gz VBUIVNZOHBYMOU-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1cnn(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1=O ZINC000679272618 545878652 /nfs/dbraw/zinc/87/86/52/545878652.db2.gz WKBSEEFXUWNVQS-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@@H](NC(=O)NCC(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000678949744 545879127 /nfs/dbraw/zinc/87/91/27/545879127.db2.gz KMIWTUUFCSFOKE-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@@H](NC(=O)NCC(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000678949744 545879131 /nfs/dbraw/zinc/87/91/31/545879131.db2.gz KMIWTUUFCSFOKE-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000679637063 545880671 /nfs/dbraw/zinc/88/06/71/545880671.db2.gz HDRNBNRDMGJVOZ-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@@H]1C ZINC000679798871 545882451 /nfs/dbraw/zinc/88/24/51/545882451.db2.gz SANVNBNVTCGXEL-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@@H]1C ZINC000679798871 545882454 /nfs/dbraw/zinc/88/24/54/545882454.db2.gz SANVNBNVTCGXEL-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000680827302 545883505 /nfs/dbraw/zinc/88/35/05/545883505.db2.gz AKLLONOWGUCOQD-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000680827301 545883554 /nfs/dbraw/zinc/88/35/54/545883554.db2.gz AKLLONOWGUCOQD-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000680828795 545883763 /nfs/dbraw/zinc/88/37/63/545883763.db2.gz YYYIMXJLVHSAMO-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000681123443 545885294 /nfs/dbraw/zinc/88/52/94/545885294.db2.gz PZRQMBDPSPCIFZ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000682092947 545886402 /nfs/dbraw/zinc/88/64/02/545886402.db2.gz GDJQVDIRPVRFQH-UWVGGRQHSA-N 1 1 300.359 -1.974 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682092947 545886406 /nfs/dbraw/zinc/88/64/06/545886406.db2.gz GDJQVDIRPVRFQH-UWVGGRQHSA-N 1 1 300.359 -1.974 20 0 DAADMO Cn1c(=O)cc(CN2CC[N@@H+](CCO)C(C)(C)C2)n(C)c1=O ZINC000682035406 545886853 /nfs/dbraw/zinc/88/68/53/545886853.db2.gz XDZOGVZMTPTZLU-UHFFFAOYSA-N 1 1 310.398 -1.028 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)CN1CC[NH+](C)CC1 ZINC000683254514 545888888 /nfs/dbraw/zinc/88/88/88/545888888.db2.gz NBBZIFGXIGEBNI-UHFFFAOYSA-N 1 1 321.447 -1.818 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1CCOCC1=O ZINC000684169185 545891007 /nfs/dbraw/zinc/89/10/07/545891007.db2.gz NCAGJZXIQJGZHZ-UHFFFAOYSA-N 1 1 312.370 -1.922 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)CN2CCOCC2=O)CC1 ZINC000684163728 545891113 /nfs/dbraw/zinc/89/11/13/545891113.db2.gz NLUBUVZTUVCOPV-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)CN2CCOCC2=O)CC1 ZINC000684163728 545891117 /nfs/dbraw/zinc/89/11/17/545891117.db2.gz NLUBUVZTUVCOPV-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)CN2CCOCC2=O)CC1 ZINC000684163728 545891121 /nfs/dbraw/zinc/89/11/21/545891121.db2.gz NLUBUVZTUVCOPV-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000685194355 545893522 /nfs/dbraw/zinc/89/35/22/545893522.db2.gz KWLRVLKIBYWSGC-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000685194355 545893527 /nfs/dbraw/zinc/89/35/27/545893527.db2.gz KWLRVLKIBYWSGC-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnoc2C(F)(F)F)[C@@H]2NCN[C@@H]21 ZINC001199061591 782169851 /nfs/dbraw/zinc/16/98/51/782169851.db2.gz QQBBJKUQXLDVQG-NJUXHZRNSA-N 1 1 306.248 -1.174 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2C2CCOCC2)[C@@H]2NCN[C@H]21 ZINC001199083620 782169893 /nfs/dbraw/zinc/16/98/93/782169893.db2.gz UDNAYNQPVFIBIW-XQQFMLRXSA-N 1 1 321.385 -1.633 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111751 782171121 /nfs/dbraw/zinc/17/11/21/782171121.db2.gz KOFKTVQABIVYCT-GRYCIOLGSA-N 1 1 300.403 -1.248 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OCC3CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001199144469 782171087 /nfs/dbraw/zinc/17/10/87/782171087.db2.gz UUGYMYUNPDEHMO-UPJWGTAASA-N 1 1 319.369 -1.602 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ccccn3)cn2)[C@H]2NCN[C@H]21 ZINC001199118738 782171264 /nfs/dbraw/zinc/17/12/64/782171264.db2.gz LEVYRXRSVACGDV-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC(F)F)ccn2)[C@@H]2NCN[C@H]21 ZINC001199314344 782175597 /nfs/dbraw/zinc/17/55/97/782175597.db2.gz BPLBVYCMGGGQLA-AEJSXWLSSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OC3CCC3)cn2)[C@H]2NCN[C@@H]21 ZINC001199149838 782171600 /nfs/dbraw/zinc/17/16/00/782171600.db2.gz YBEKTQYMMUFTOJ-JHJVBQTASA-N 1 1 319.369 -1.459 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001199197759 782172849 /nfs/dbraw/zinc/17/28/49/782172849.db2.gz DFBMKYJSMUYAQN-JBLDHEPKSA-N 1 1 323.357 -2.366 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001199219854 782173059 /nfs/dbraw/zinc/17/30/59/782173059.db2.gz XHRLYFBRXBZQLO-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001199195116 782173561 /nfs/dbraw/zinc/17/35/61/782173561.db2.gz MHXODIVIUKGNBR-SECBINFHSA-N 1 1 309.374 -1.185 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001199219852 782173699 /nfs/dbraw/zinc/17/36/99/782173699.db2.gz XHRLYFBRXBZQLO-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO COc1cnc(Cl)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001199266426 782174091 /nfs/dbraw/zinc/17/40/91/782174091.db2.gz XHKUZHSZBNWWQC-LSJOCFKGSA-N 1 1 312.761 -1.124 20 0 DAADMO COc1cnc(Cl)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001199266422 782174519 /nfs/dbraw/zinc/17/45/19/782174519.db2.gz XHKUZHSZBNWWQC-INTQDDNPSA-N 1 1 312.761 -1.124 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001199298888 782174812 /nfs/dbraw/zinc/17/48/12/782174812.db2.gz BZKRRNNXZIEYJA-QJPTWQEYSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cnc1=O ZINC001199249580 782175077 /nfs/dbraw/zinc/17/50/77/782175077.db2.gz DSAQOIVPUJLHCJ-GARJFASQSA-N 1 1 307.358 -2.043 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001199354756 782175899 /nfs/dbraw/zinc/17/58/99/782175899.db2.gz ZLWNXULLJXAWRD-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001199354756 782175903 /nfs/dbraw/zinc/17/59/03/782175903.db2.gz ZLWNXULLJXAWRD-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO N[C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@H]2NCN[C@@H]21 ZINC001199371299 782176345 /nfs/dbraw/zinc/17/63/45/782176345.db2.gz QHYGALODLJTOBP-MGPQQGTHSA-N 1 1 317.397 -1.186 20 0 DAADMO N[C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@@H]2NCN[C@@H]21 ZINC001199371298 782176903 /nfs/dbraw/zinc/17/69/03/782176903.db2.gz QHYGALODLJTOBP-MCIONIFRSA-N 1 1 317.397 -1.186 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001199423053 782177472 /nfs/dbraw/zinc/17/74/72/782177472.db2.gz ZTSSEAHBIYESBM-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001199423053 782177473 /nfs/dbraw/zinc/17/74/73/782177473.db2.gz ZTSSEAHBIYESBM-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cccnc2)[C@@H]2NCN[C@@H]21 ZINC001199434465 782177609 /nfs/dbraw/zinc/17/76/09/782177609.db2.gz BRYYGLCFRQSWRV-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cccnc2)[C@@H]2NCN[C@H]21 ZINC001199434466 782177842 /nfs/dbraw/zinc/17/78/42/782177842.db2.gz BRYYGLCFRQSWRV-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199405488 782178042 /nfs/dbraw/zinc/17/80/42/782178042.db2.gz FWLUJTVCACKACL-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199405488 782178046 /nfs/dbraw/zinc/17/80/46/782178046.db2.gz FWLUJTVCACKACL-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C3CCC3)c2=O)[C@@H]2NCN[C@@H]21 ZINC001199489624 782179444 /nfs/dbraw/zinc/17/94/44/782179444.db2.gz IVIRXFDZHPJSER-UPJWGTAASA-N 1 1 318.381 -1.294 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199459443 782179972 /nfs/dbraw/zinc/17/99/72/782179972.db2.gz QETWLQSOAWDDJS-IJLUTSLNSA-N 1 1 301.387 -1.036 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001199439590 782180009 /nfs/dbraw/zinc/18/00/09/782180009.db2.gz SYFHCWFRKKVXTJ-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO COC(=O)NCC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001199521443 782181573 /nfs/dbraw/zinc/18/15/73/782181573.db2.gz FJZWTZDIIOWWFX-UHFFFAOYSA-N 1 1 311.346 -1.353 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514946 782181630 /nfs/dbraw/zinc/18/16/30/782181630.db2.gz LUIFRSIJOMDWPJ-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001199523795 782181693 /nfs/dbraw/zinc/18/16/93/782181693.db2.gz IHNDYWKWPKAKML-IJLUTSLNSA-N 1 1 301.387 -1.058 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1=O ZINC001199516084 782182206 /nfs/dbraw/zinc/18/22/06/782182206.db2.gz NJDUBPXUDHOVLF-AGIUHOORSA-N 1 1 306.370 -1.438 20 0 DAADMO COCCOc1cnccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001199631131 782182791 /nfs/dbraw/zinc/18/27/91/782182791.db2.gz KEHKPUXLFSSXNS-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2CC2CCC2)[C@@H]2NCN[C@H]21 ZINC001199613032 782183851 /nfs/dbraw/zinc/18/38/51/782183851.db2.gz SPALKGNMFLLMRU-XQQFMLRXSA-N 1 1 305.386 -1.184 20 0 DAADMO COCCOc1cnccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001199631129 782183208 /nfs/dbraw/zinc/18/32/08/782183208.db2.gz KEHKPUXLFSSXNS-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001199551595 782183366 /nfs/dbraw/zinc/18/33/66/782183366.db2.gz SWVSIYPBYURSGP-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001199716223 782184878 /nfs/dbraw/zinc/18/48/78/782184878.db2.gz MBBGHRISCGBSNT-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO CO[C@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057111721 678690530 /nfs/dbraw/zinc/69/05/30/678690530.db2.gz UUYKKJJTQGXGMY-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821689058 607207221 /nfs/dbraw/zinc/20/72/21/607207221.db2.gz JHCPZYXNBLXGLD-UHFFFAOYSA-N 1 1 323.361 -1.457 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821689058 607207222 /nfs/dbraw/zinc/20/72/22/607207222.db2.gz JHCPZYXNBLXGLD-UHFFFAOYSA-N 1 1 323.361 -1.457 20 0 DAADMO C[NH+](C)[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 ZINC000821579723 607208824 /nfs/dbraw/zinc/20/88/24/607208824.db2.gz LTTNOMKPSZUVNL-SECBINFHSA-N 1 1 305.346 -1.085 20 0 DAADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823125625 607215566 /nfs/dbraw/zinc/21/55/66/607215566.db2.gz ANBDKBNPAODYCK-SECBINFHSA-N 1 1 303.330 -1.235 20 0 DAADMO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000823125625 607215567 /nfs/dbraw/zinc/21/55/67/607215567.db2.gz ANBDKBNPAODYCK-SECBINFHSA-N 1 1 303.330 -1.235 20 0 DAADMO CC[N@H+]1C[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821241870 607222840 /nfs/dbraw/zinc/22/28/40/607222840.db2.gz PLBZDJSIRHYNDS-IUCAKERBSA-N 1 1 305.346 -1.085 20 0 DAADMO CC[N@@H+]1C[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC000821241870 607222841 /nfs/dbraw/zinc/22/28/41/607222841.db2.gz PLBZDJSIRHYNDS-IUCAKERBSA-N 1 1 305.346 -1.085 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152691879 782188723 /nfs/dbraw/zinc/18/87/23/782188723.db2.gz VIURGRTYJWJOPL-UHFFFAOYSA-N 1 1 307.358 -1.145 20 0 DAADMO OCC(CO)(CO)NC(=S)NCCC[NH+]1CCOCC1 ZINC001199956627 782189197 /nfs/dbraw/zinc/18/91/97/782189197.db2.gz ZIUBJCDKEQBTGS-UHFFFAOYSA-N 1 1 307.416 -2.112 20 0 DAADMO O=C1C[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C(=O)N1 ZINC001199954105 782189359 /nfs/dbraw/zinc/18/93/59/782189359.db2.gz AXHZJANIFCCQMO-JTQLQIEISA-N 1 1 314.411 -1.165 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001199918529 782189509 /nfs/dbraw/zinc/18/95/09/782189509.db2.gz BWXQKFKGOKOMBM-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO CC(C)[C@@H](CNC(=O)CCNC(=O)CO)[NH+]1CCOCC1 ZINC000905677883 662795533 /nfs/dbraw/zinc/79/55/33/662795533.db2.gz APKSKMYKNWLEBC-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907718572 662798291 /nfs/dbraw/zinc/79/82/91/662798291.db2.gz RRGUKIAMTUBMMQ-SCRDCRAPSA-N 1 1 304.387 -1.028 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547942 663158252 /nfs/dbraw/zinc/15/82/52/663158252.db2.gz ZJLBJPCQPVWPQZ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547942 663158255 /nfs/dbraw/zinc/15/82/55/663158255.db2.gz ZJLBJPCQPVWPQZ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535724 663306726 /nfs/dbraw/zinc/30/67/26/663306726.db2.gz QSPBBQGXURMIMZ-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CSCC1=O)CCOCCO ZINC000922127842 663622800 /nfs/dbraw/zinc/62/28/00/663622800.db2.gz SONDGSYPLMZKJE-UHFFFAOYSA-N 1 1 305.400 -1.424 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035615240 663689606 /nfs/dbraw/zinc/68/96/06/663689606.db2.gz XCYJPFPBHYGXGT-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035615240 663689607 /nfs/dbraw/zinc/68/96/07/663689607.db2.gz XCYJPFPBHYGXGT-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC[S@@](C)=O)CC2)C1 ZINC000754301744 663805033 /nfs/dbraw/zinc/80/50/33/663805033.db2.gz QGJMTVRKBNKHJG-FKIZINRSSA-N 1 1 303.428 -1.160 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000804899697 663797171 /nfs/dbraw/zinc/79/71/71/663797171.db2.gz SJWAMHPODYRTFM-MQJDWESPSA-N 1 1 319.427 -1.292 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000820754240 663858511 /nfs/dbraw/zinc/85/85/11/663858511.db2.gz YQDGQPLQDPAUBN-UHFFFAOYSA-N 1 1 313.445 -1.155 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000820754240 663858513 /nfs/dbraw/zinc/85/85/13/663858513.db2.gz YQDGQPLQDPAUBN-UHFFFAOYSA-N 1 1 313.445 -1.155 20 0 DAADMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000823133900 663862496 /nfs/dbraw/zinc/86/24/96/663862496.db2.gz RMXFIDPEIGXYFB-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000823133900 663862500 /nfs/dbraw/zinc/86/25/00/663862500.db2.gz RMXFIDPEIGXYFB-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1COCCN1)C(C)C ZINC000861803215 663918851 /nfs/dbraw/zinc/91/88/51/663918851.db2.gz VPJQRQXYQZCGNS-GFCCVEGCSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1COCCN1)C(C)C ZINC000861803215 663918853 /nfs/dbraw/zinc/91/88/53/663918853.db2.gz VPJQRQXYQZCGNS-GFCCVEGCSA-N 1 1 300.403 -1.063 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888866649 663957597 /nfs/dbraw/zinc/95/75/97/663957597.db2.gz JDRVZFWAPLTJCQ-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@@H+](CCNS(=O)(=O)N1CCOCC1)CCOCCO ZINC000882755397 663960414 /nfs/dbraw/zinc/96/04/14/663960414.db2.gz KCPUFELOUWMPNX-UHFFFAOYSA-N 1 1 311.404 -1.906 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931659556 663994653 /nfs/dbraw/zinc/99/46/53/663994653.db2.gz WUOBSASUBNFJJA-UWVGGRQHSA-N 1 1 305.400 -1.254 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000969117902 662305182 /nfs/dbraw/zinc/30/51/82/662305182.db2.gz YEKMILVMIATYDJ-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236589 662305237 /nfs/dbraw/zinc/30/52/37/662305237.db2.gz BCRVSABVDHAHLB-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236589 662305242 /nfs/dbraw/zinc/30/52/42/662305242.db2.gz BCRVSABVDHAHLB-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949239556 662305518 /nfs/dbraw/zinc/30/55/18/662305518.db2.gz SGCXVOARCXBKFS-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949239556 662305522 /nfs/dbraw/zinc/30/55/22/662305522.db2.gz SGCXVOARCXBKFS-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)c1=O ZINC000969140957 662306182 /nfs/dbraw/zinc/30/61/82/662306182.db2.gz VYMPBLTXOHIZAQ-SNVBAGLBSA-N 1 1 320.357 -1.899 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000969167637 662306576 /nfs/dbraw/zinc/30/65/76/662306576.db2.gz VEYCQAJNRMPZSK-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC000969184236 662306980 /nfs/dbraw/zinc/30/69/80/662306980.db2.gz FRKJDAVLJYLNFL-LLVKDONJSA-N 1 1 321.385 -1.087 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCNC3=O)C2)nn1 ZINC000969195758 662307738 /nfs/dbraw/zinc/30/77/38/662307738.db2.gz ZWBJIUXJQZEJBW-LLVKDONJSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC000969293023 662310153 /nfs/dbraw/zinc/31/01/53/662310153.db2.gz SZSAQNLVQNSVHI-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO CCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC000969326274 662310513 /nfs/dbraw/zinc/31/05/13/662310513.db2.gz DAZSMOFJXGGMJI-SNUKUXNHSA-N 1 1 323.393 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463741 662310578 /nfs/dbraw/zinc/31/05/78/662310578.db2.gz IMAOELRVUWYMKC-MGCOHNPYSA-N 1 1 322.373 -2.621 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001020466955 662311675 /nfs/dbraw/zinc/31/16/75/662311675.db2.gz WSXZAXKASMGHRR-AATLWQCWSA-N 1 1 307.358 -1.542 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001020482399 662313274 /nfs/dbraw/zinc/31/32/74/662313274.db2.gz FHBJOZGRESYYTQ-GUBZILKMSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001020480030 662313611 /nfs/dbraw/zinc/31/36/11/662313611.db2.gz MKJYKUBUKYICNX-BWZBUEFSSA-N 1 1 306.334 -1.655 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001020497258 662313964 /nfs/dbraw/zinc/31/39/64/662313964.db2.gz MOTPPHGMVFAVCT-BHDSKKPTSA-N 1 1 321.385 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1 ZINC001020530983 662316246 /nfs/dbraw/zinc/31/62/46/662316246.db2.gz BARYOWFJWFSMFO-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1 ZINC001020530983 662316249 /nfs/dbraw/zinc/31/62/49/662316249.db2.gz BARYOWFJWFSMFO-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001020531922 662316520 /nfs/dbraw/zinc/31/65/20/662316520.db2.gz AWPOAVBCVDUXBP-QXEWZRGKSA-N 1 1 307.358 -1.284 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001020531553 662316599 /nfs/dbraw/zinc/31/65/99/662316599.db2.gz VYOMTOYENZCPLM-IWSPIJDZSA-N 1 1 324.341 -1.366 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001020531347 662317050 /nfs/dbraw/zinc/31/70/50/662317050.db2.gz QFCJDEKFDGKHKB-JBDRJPRFSA-N 1 1 308.346 -1.811 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020531635 662317059 /nfs/dbraw/zinc/31/70/59/662317059.db2.gz XTLZKVYPHTZTPK-OPRDCNLKSA-N 1 1 322.373 -1.499 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC000969443830 662317875 /nfs/dbraw/zinc/31/78/75/662317875.db2.gz IPJRXQBHZFZMBN-SNVBAGLBSA-N 1 1 321.341 -1.254 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000969486538 662319001 /nfs/dbraw/zinc/31/90/01/662319001.db2.gz QTCLQWGHYBDNBA-MXWKQRLJSA-N 1 1 322.369 -1.634 20 0 DAADMO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969513960 662319990 /nfs/dbraw/zinc/31/99/90/662319990.db2.gz JGIMFMVUXRSQLS-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC000969555647 662321618 /nfs/dbraw/zinc/32/16/18/662321618.db2.gz OKVYUFYNPYPWAT-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1O ZINC000969537272 662322032 /nfs/dbraw/zinc/32/20/32/662322032.db2.gz ZYSHARBIGCJNAM-QCNOEVLYSA-N 1 1 324.381 -1.953 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969565110 662322125 /nfs/dbraw/zinc/32/21/25/662322125.db2.gz CGLJMUANQOFEBH-LLVKDONJSA-N 1 1 322.369 -1.500 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+](CC(=O)N(C)C)C2)C1 ZINC000969569281 662322417 /nfs/dbraw/zinc/32/24/17/662322417.db2.gz NYNSSLLQAFQHFM-SNVBAGLBSA-N 1 1 310.398 -1.011 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000969587636 662323471 /nfs/dbraw/zinc/32/34/71/662323471.db2.gz VHAKFKZTGMIBMQ-ZJUUUORDSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000969679255 662324585 /nfs/dbraw/zinc/32/45/85/662324585.db2.gz JBHKKUOMZTUMEJ-NXEZZACHSA-N 1 1 307.358 -1.479 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC000969739966 662325265 /nfs/dbraw/zinc/32/52/65/662325265.db2.gz HMMQBOCAPONVDQ-VWYCJHECSA-N 1 1 322.369 -1.410 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000969743547 662326497 /nfs/dbraw/zinc/32/64/97/662326497.db2.gz XZQIEEVLKKMORN-OUAUKWLOSA-N 1 1 324.385 -1.308 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)[NH+](C)C ZINC000969743547 662326499 /nfs/dbraw/zinc/32/64/99/662326499.db2.gz XZQIEEVLKKMORN-OUAUKWLOSA-N 1 1 324.385 -1.308 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969748663 662328079 /nfs/dbraw/zinc/32/80/79/662328079.db2.gz OMFVGZYIPZVPQL-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969748663 662328082 /nfs/dbraw/zinc/32/80/82/662328082.db2.gz OMFVGZYIPZVPQL-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969748663 662328086 /nfs/dbraw/zinc/32/80/86/662328086.db2.gz OMFVGZYIPZVPQL-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969748663 662328090 /nfs/dbraw/zinc/32/80/90/662328090.db2.gz OMFVGZYIPZVPQL-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969748663 662328094 /nfs/dbraw/zinc/32/80/94/662328094.db2.gz OMFVGZYIPZVPQL-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)C1 ZINC000969748664 662328244 /nfs/dbraw/zinc/32/82/44/662328244.db2.gz OMFVGZYIPZVPQL-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969748664 662328247 /nfs/dbraw/zinc/32/82/47/662328247.db2.gz OMFVGZYIPZVPQL-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)C1 ZINC000969748664 662328249 /nfs/dbraw/zinc/32/82/49/662328249.db2.gz OMFVGZYIPZVPQL-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969748664 662328255 /nfs/dbraw/zinc/32/82/55/662328255.db2.gz OMFVGZYIPZVPQL-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)C1 ZINC000969748664 662328258 /nfs/dbraw/zinc/32/82/58/662328258.db2.gz OMFVGZYIPZVPQL-BBBLOLIVSA-N 1 1 308.342 -1.942 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC000969765793 662328686 /nfs/dbraw/zinc/32/86/86/662328686.db2.gz FRHIURMQFKBKEL-MWLCHTKSSA-N 1 1 307.358 -1.330 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766770 662328711 /nfs/dbraw/zinc/32/87/11/662328711.db2.gz PXKYWNUTKLFXIJ-NXEZZACHSA-N 1 1 322.373 -1.374 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766098 662328765 /nfs/dbraw/zinc/32/87/65/662328765.db2.gz HUHMKLLAUPZRHZ-MNOVXSKESA-N 1 1 321.385 -1.022 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001020580901 662328792 /nfs/dbraw/zinc/32/87/92/662328792.db2.gz KVDPFTREGGRGPZ-RVBZMBCESA-N 1 1 307.358 -1.527 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969766326 662329059 /nfs/dbraw/zinc/32/90/59/662329059.db2.gz LQFYPGDGSOJQMX-SCZZXKLOSA-N 1 1 320.357 -1.620 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766363 662329081 /nfs/dbraw/zinc/32/90/81/662329081.db2.gz MNIIQDDFVASZMT-ZJUUUORDSA-N 1 1 307.358 -1.330 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000969784390 662329603 /nfs/dbraw/zinc/32/96/03/662329603.db2.gz KUFCAIXINJQAHQ-UTLUCORTSA-N 1 1 323.357 -2.394 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC000969814022 662332434 /nfs/dbraw/zinc/33/24/34/662332434.db2.gz YTFSARKCKUWGRK-FDFVQJQPSA-N 1 1 323.393 -1.339 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969876075 662333705 /nfs/dbraw/zinc/33/37/05/662333705.db2.gz GKFUZUXXMNQIOJ-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000969916878 662334280 /nfs/dbraw/zinc/33/42/80/662334280.db2.gz SOSKEORWALYYLX-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC000969931780 662334898 /nfs/dbraw/zinc/33/48/98/662334898.db2.gz UESPPBLUUMUVPQ-ADEWGFFLSA-N 1 1 322.369 -1.462 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)o1 ZINC001020647141 662334937 /nfs/dbraw/zinc/33/49/37/662334937.db2.gz KBAPTGRZGOWCLR-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)n(C)c1=O ZINC001039065570 662335550 /nfs/dbraw/zinc/33/55/50/662335550.db2.gz QHTXPACMMQKGJK-NSHDSACASA-N 1 1 319.369 -1.180 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)n(C)c1=O ZINC001039065570 662335551 /nfs/dbraw/zinc/33/55/51/662335551.db2.gz QHTXPACMMQKGJK-NSHDSACASA-N 1 1 319.369 -1.180 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000969978268 662335955 /nfs/dbraw/zinc/33/59/55/662335955.db2.gz SELFBNGBFRJIJA-MXWKQRLJSA-N 1 1 321.385 -1.105 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC000970014952 662337921 /nfs/dbraw/zinc/33/79/21/662337921.db2.gz BJEVJVLJANRTIU-UTUOFQBUSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncccn3)[C@@H](O)C2)C1 ZINC000970027164 662338814 /nfs/dbraw/zinc/33/88/14/662338814.db2.gz MSOWMOKMYKLHKM-UTUOFQBUSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC000970038464 662339672 /nfs/dbraw/zinc/33/96/72/662339672.db2.gz JUKYAZBIJVIBOS-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001010581768 662340283 /nfs/dbraw/zinc/34/02/83/662340283.db2.gz UVPXGSBHYCZVAP-NSHDSACASA-N 1 1 317.411 -1.347 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001020736723 662341620 /nfs/dbraw/zinc/34/16/20/662341620.db2.gz ZSPABJUTJXGHFJ-GUBZILKMSA-N 1 1 307.358 -1.384 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020764383 662341974 /nfs/dbraw/zinc/34/19/74/662341974.db2.gz JOBIFTXJCPVREU-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001020777251 662342144 /nfs/dbraw/zinc/34/21/44/662342144.db2.gz SUQCSRGNYIOUGB-ZKCHVHJHSA-N 1 1 307.314 -1.793 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001020777251 662342147 /nfs/dbraw/zinc/34/21/47/662342147.db2.gz SUQCSRGNYIOUGB-ZKCHVHJHSA-N 1 1 307.314 -1.793 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970118380 662343523 /nfs/dbraw/zinc/34/35/23/662343523.db2.gz DVIKTIDXZCVJSY-BDAKNGLRSA-N 1 1 321.341 -1.896 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970118872 662343733 /nfs/dbraw/zinc/34/37/33/662343733.db2.gz JVKTYQYABUODLS-APPZFPTMSA-N 1 1 308.298 -1.642 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)C1=O ZINC000888998536 662344564 /nfs/dbraw/zinc/34/45/64/662344564.db2.gz ZIEMGQAQJCCISV-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020905128 662344687 /nfs/dbraw/zinc/34/46/87/662344687.db2.gz UGQOTRAGNHGUPM-IWSPIJDZSA-N 1 1 306.326 -1.611 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1)c1nnnn1C ZINC001020904598 662344724 /nfs/dbraw/zinc/34/47/24/662344724.db2.gz DUWJMPYPIJGQTI-IWSPIJDZSA-N 1 1 305.346 -1.131 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020905144 662344984 /nfs/dbraw/zinc/34/49/84/662344984.db2.gz UWLHDDHALXPTPC-MGCOHNPYSA-N 1 1 307.358 -1.391 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001020943611 662345358 /nfs/dbraw/zinc/34/53/58/662345358.db2.gz WAPCDFRSVULSDO-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001038181630 662346274 /nfs/dbraw/zinc/34/62/74/662346274.db2.gz USVGAAWDKVDMAN-STQMWFEESA-N 1 1 308.386 -1.201 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001038181630 662346275 /nfs/dbraw/zinc/34/62/75/662346275.db2.gz USVGAAWDKVDMAN-STQMWFEESA-N 1 1 308.386 -1.201 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021024875 662347374 /nfs/dbraw/zinc/34/73/74/662347374.db2.gz DXSNADLOIDWFTP-ZKCHVHJHSA-N 1 1 308.298 -1.642 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001021024111 662347710 /nfs/dbraw/zinc/34/77/10/662347710.db2.gz XIGNPPPAVKBEOU-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001021030039 662348774 /nfs/dbraw/zinc/34/87/74/662348774.db2.gz KMLXSMXNQHRECO-MGCOHNPYSA-N 1 1 320.353 -1.299 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)CC[N@H+]1C ZINC000970208240 662351389 /nfs/dbraw/zinc/35/13/89/662351389.db2.gz PBBFBKFKLJRFGE-ZDCRXTMVSA-N 1 1 312.370 -2.110 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970209045 662352030 /nfs/dbraw/zinc/35/20/30/662352030.db2.gz ZXCIYSMRPNDQTI-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1O ZINC000970202965 662352725 /nfs/dbraw/zinc/35/27/25/662352725.db2.gz UZOCGCSIQALGEF-UTLUCORTSA-N 1 1 321.337 -2.066 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970206056 662353058 /nfs/dbraw/zinc/35/30/58/662353058.db2.gz STUNFAHTELIMOV-ZJUUUORDSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001021101967 662354280 /nfs/dbraw/zinc/35/42/80/662354280.db2.gz GVLPUSYYAFUQPE-IJLUTSLNSA-N 1 1 321.385 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970256540 662354816 /nfs/dbraw/zinc/35/48/16/662354816.db2.gz NGEOEYVUJVIINR-GMSGAONNSA-N 1 1 320.353 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000970246972 662354977 /nfs/dbraw/zinc/35/49/77/662354977.db2.gz PIILVWAYBXIUGW-VHSXEESVSA-N 1 1 307.358 -1.431 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970256541 662355033 /nfs/dbraw/zinc/35/50/33/662355033.db2.gz NGEOEYVUJVIINR-OIBJUYFYSA-N 1 1 320.353 -1.032 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970267252 662355322 /nfs/dbraw/zinc/35/53/22/662355322.db2.gz DJIZYOMJCQKBQL-SKDRFNHKSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970269546 662355480 /nfs/dbraw/zinc/35/54/80/662355480.db2.gz ADQLIMMSTADGIC-SKDRFNHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970269544 662355641 /nfs/dbraw/zinc/35/56/41/662355641.db2.gz ADQLIMMSTADGIC-CABZTGNLSA-N 1 1 323.397 -1.275 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970285875 662356210 /nfs/dbraw/zinc/35/62/10/662356210.db2.gz QTYRCLPSSJYXPP-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970286774 662357120 /nfs/dbraw/zinc/35/71/20/662357120.db2.gz DOUXSSUMYXBMHK-SECBINFHSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000970289579 662357699 /nfs/dbraw/zinc/35/76/99/662357699.db2.gz IWPGVDQQTJDPQT-KOLCDFICSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970292727 662357718 /nfs/dbraw/zinc/35/77/18/662357718.db2.gz NQIYTWIZLFOLHE-JQWIXIFHSA-N 1 1 310.398 -1.011 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000970324204 662358143 /nfs/dbraw/zinc/35/81/43/662358143.db2.gz CAFSJARCXIIOOI-SECBINFHSA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001021148646 662358272 /nfs/dbraw/zinc/35/82/72/662358272.db2.gz LDZOUMIRNZYJGF-GUBZILKMSA-N 1 1 320.353 -1.395 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000970324366 662358322 /nfs/dbraw/zinc/35/83/22/662358322.db2.gz GCIIDNNVQCSRQC-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CCn3cnnn3)C2)nn1 ZINC000970325165 662358406 /nfs/dbraw/zinc/35/84/06/662358406.db2.gz BCZPDBBNGVADHQ-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO O=C(NCCCn1ccc(=O)[nH]c1=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000890930071 662358615 /nfs/dbraw/zinc/35/86/15/662358615.db2.gz LUZYMJNMPFIORA-LBPRGKRZSA-N 1 1 321.381 -1.155 20 0 DAADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970355217 662359695 /nfs/dbraw/zinc/35/96/95/662359695.db2.gz XCRAEMIDOPZLTF-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970355223 662359889 /nfs/dbraw/zinc/35/98/89/662359889.db2.gz XCRAEMIDOPZLTF-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)c1N ZINC001038186308 662360146 /nfs/dbraw/zinc/36/01/46/662360146.db2.gz CBJFGGSPRIFXEC-SNVBAGLBSA-N 1 1 321.385 -1.168 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)c1N ZINC001038186308 662360150 /nfs/dbraw/zinc/36/01/50/662360150.db2.gz CBJFGGSPRIFXEC-SNVBAGLBSA-N 1 1 321.385 -1.168 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970359526 662360258 /nfs/dbraw/zinc/36/02/58/662360258.db2.gz TVCTZMRDLAXDFC-KWQFWETISA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970359527 662360574 /nfs/dbraw/zinc/36/05/74/662360574.db2.gz TVCTZMRDLAXDFC-LDYMZIIASA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970432460 662361318 /nfs/dbraw/zinc/36/13/18/662361318.db2.gz YLTICRPXZAQSIK-AXTRIDKLSA-N 1 1 308.382 -1.177 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021264680 662361632 /nfs/dbraw/zinc/36/16/32/662361632.db2.gz YEYVEBMJSAFXLD-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021264680 662361636 /nfs/dbraw/zinc/36/16/36/662361636.db2.gz YEYVEBMJSAFXLD-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970445782 662361783 /nfs/dbraw/zinc/36/17/83/662361783.db2.gz LTHVBJFWFVBAOL-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010668512 662362684 /nfs/dbraw/zinc/36/26/84/662362684.db2.gz LWMIYZBAKKZLJP-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010668512 662362687 /nfs/dbraw/zinc/36/26/87/662362687.db2.gz LWMIYZBAKKZLJP-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010668506 662362814 /nfs/dbraw/zinc/36/28/14/662362814.db2.gz LWMIYZBAKKZLJP-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010668506 662362817 /nfs/dbraw/zinc/36/28/17/662362817.db2.gz LWMIYZBAKKZLJP-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1=O ZINC000970470524 662362861 /nfs/dbraw/zinc/36/28/61/662362861.db2.gz RNIYCHIOWLBKPV-SECBINFHSA-N 1 1 322.325 -1.346 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970482345 662363577 /nfs/dbraw/zinc/36/35/77/662363577.db2.gz UAVZFCJMAKUFJC-SNVBAGLBSA-N 1 1 304.358 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001039187674 662364177 /nfs/dbraw/zinc/36/41/77/662364177.db2.gz TVJLHWGDJXYMMJ-NWDGAFQWSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1cnnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038136640 662364186 /nfs/dbraw/zinc/36/41/86/662364186.db2.gz LZTDFUXQGNDEJM-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038136640 662364188 /nfs/dbraw/zinc/36/41/88/662364188.db2.gz LZTDFUXQGNDEJM-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001039187682 662364356 /nfs/dbraw/zinc/36/43/56/662364356.db2.gz TVJLHWGDJXYMMJ-RYUDHWBXSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cnnn2)C1 ZINC001039187666 662364369 /nfs/dbraw/zinc/36/43/69/662364369.db2.gz TVJLHWGDJXYMMJ-NEPJUHHUSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970576482 662364635 /nfs/dbraw/zinc/36/46/35/662364635.db2.gz BVLJCKWLUSPCCB-LDYMZIIASA-N 1 1 322.365 -1.636 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021347347 662364646 /nfs/dbraw/zinc/36/46/46/662364646.db2.gz GUGIYKIRIHQCTM-YHWZYXNKSA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970577794 662364925 /nfs/dbraw/zinc/36/49/25/662364925.db2.gz QZSIYRMCXRGGPS-SFYZADRCSA-N 1 1 310.354 -1.651 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970590165 662365213 /nfs/dbraw/zinc/36/52/13/662365213.db2.gz VSYYPBNERGFZJX-VXGBXAGGSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000970590163 662365444 /nfs/dbraw/zinc/36/54/44/662365444.db2.gz VSYYPBNERGFZJX-NWDGAFQWSA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001021365850 662365677 /nfs/dbraw/zinc/36/56/77/662365677.db2.gz FUIMHXVRWHKTHM-UPBARMNASA-N 1 1 308.338 -1.612 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)c(=O)n1C ZINC000970612202 662366130 /nfs/dbraw/zinc/36/61/30/662366130.db2.gz QQSNWMBBNZWGLY-SNVBAGLBSA-N 1 1 321.341 -1.336 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000970644166 662366289 /nfs/dbraw/zinc/36/62/89/662366289.db2.gz WWDRLQNKEWEVIJ-MXWKQRLJSA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000970648568 662366301 /nfs/dbraw/zinc/36/63/01/662366301.db2.gz IHRRRWRZWULHOT-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000970648568 662366302 /nfs/dbraw/zinc/36/63/02/662366302.db2.gz IHRRRWRZWULHOT-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970623395 662366305 /nfs/dbraw/zinc/36/63/05/662366305.db2.gz PZOJDGWKPUIPFU-XCBNKYQSSA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000970640978 662366418 /nfs/dbraw/zinc/36/64/18/662366418.db2.gz ORNFTUISMGNBOL-WCQGTBRESA-N 1 1 323.353 -1.145 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000970646621 662366530 /nfs/dbraw/zinc/36/65/30/662366530.db2.gz PKAKSEVZGJRDIF-JLLWLGSASA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000970648570 662366635 /nfs/dbraw/zinc/36/66/35/662366635.db2.gz IHRRRWRZWULHOT-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000970648570 662366636 /nfs/dbraw/zinc/36/66/36/662366636.db2.gz IHRRRWRZWULHOT-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000970638330 662366719 /nfs/dbraw/zinc/36/67/19/662366719.db2.gz PELNTUKJUHTWLJ-WCQGTBRESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000970638330 662366721 /nfs/dbraw/zinc/36/67/21/662366721.db2.gz PELNTUKJUHTWLJ-WCQGTBRESA-N 1 1 322.369 -1.410 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970661790 662366980 /nfs/dbraw/zinc/36/69/80/662366980.db2.gz NPIJWDBAJPVAAH-MRVPVSSYSA-N 1 1 308.298 -1.688 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000970653759 662367045 /nfs/dbraw/zinc/36/70/45/662367045.db2.gz RERCYVNJGYSEGS-SNVBAGLBSA-N 1 1 317.357 -1.010 20 0 DAADMO CN1CC(=O)N(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001021454647 662368808 /nfs/dbraw/zinc/36/88/08/662368808.db2.gz QSUDCZXOVKPREI-YOGCLGLASA-N 1 1 324.381 -1.016 20 0 DAADMO Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)n(C)c1=O ZINC001021470197 662369156 /nfs/dbraw/zinc/36/91/56/662369156.db2.gz LVVWCCPFWZTAQM-FGWVZKOKSA-N 1 1 321.381 -1.066 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)nn1 ZINC000970796216 662371152 /nfs/dbraw/zinc/37/11/52/662371152.db2.gz IPKNJTBTCIGRIL-MRVPVSSYSA-N 1 1 320.313 -1.849 20 0 DAADMO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970846978 662372890 /nfs/dbraw/zinc/37/28/90/662372890.db2.gz XWDDNUNGLIENPI-JOYOIKCWSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970846315 662373035 /nfs/dbraw/zinc/37/30/35/662373035.db2.gz UHBMYFIVAMTLRJ-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1COC(=O)N1 ZINC001010816426 662373482 /nfs/dbraw/zinc/37/34/82/662373482.db2.gz NGJXKUCGVWABIY-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)N1CCOCC1 ZINC000970888076 662374012 /nfs/dbraw/zinc/37/40/12/662374012.db2.gz QBDFOIIFVYOJHT-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO COCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000970904905 662374480 /nfs/dbraw/zinc/37/44/80/662374480.db2.gz PBLPAGCLDQLPGQ-LLVKDONJSA-N 1 1 324.381 -1.237 20 0 DAADMO COCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000970904906 662374618 /nfs/dbraw/zinc/37/46/18/662374618.db2.gz PBLPAGCLDQLPGQ-NSHDSACASA-N 1 1 324.381 -1.237 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912326 662374822 /nfs/dbraw/zinc/37/48/22/662374822.db2.gz YKWQMYUINIMEMY-WCQYABFASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912326 662374824 /nfs/dbraw/zinc/37/48/24/662374824.db2.gz YKWQMYUINIMEMY-WCQYABFASA-N 1 1 312.414 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021589158 662375192 /nfs/dbraw/zinc/37/51/92/662375192.db2.gz WBTSHTFFZMAHBZ-QWRGUYRKSA-N 1 1 307.358 -1.529 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000970940442 662375717 /nfs/dbraw/zinc/37/57/17/662375717.db2.gz DBTORPTZLVHWRP-UWVGGRQHSA-N 1 1 323.397 -1.092 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000970942678 662376064 /nfs/dbraw/zinc/37/60/64/662376064.db2.gz UFLXRXALKIXMSD-DTWKUNHWSA-N 1 1 309.370 -1.352 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC000970951544 662376251 /nfs/dbraw/zinc/37/62/51/662376251.db2.gz USXOGBHTJWRORF-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001010842241 662376708 /nfs/dbraw/zinc/37/67/08/662376708.db2.gz RIMXIDPGIAKFOM-ZDUSSCGKSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001010842241 662376710 /nfs/dbraw/zinc/37/67/10/662376710.db2.gz RIMXIDPGIAKFOM-ZDUSSCGKSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001010842231 662376792 /nfs/dbraw/zinc/37/67/92/662376792.db2.gz RIMXIDPGIAKFOM-CYBMUJFWSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001010842231 662376794 /nfs/dbraw/zinc/37/67/94/662376794.db2.gz RIMXIDPGIAKFOM-CYBMUJFWSA-N 1 1 321.381 -1.046 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932904520 662376895 /nfs/dbraw/zinc/37/68/95/662376895.db2.gz MWKSACTUCZTXMW-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662125 662377337 /nfs/dbraw/zinc/37/73/37/662377337.db2.gz UAUUYBQZUFWFAR-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662125 662377340 /nfs/dbraw/zinc/37/73/40/662377340.db2.gz UAUUYBQZUFWFAR-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO Cn1nnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)n1 ZINC001039293028 662377357 /nfs/dbraw/zinc/37/73/57/662377357.db2.gz RWANYXQSXJBKLQ-PBINXNQUSA-N 1 1 307.358 -1.303 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021652219 662377485 /nfs/dbraw/zinc/37/74/85/662377485.db2.gz HUASULKEKJUTSO-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000932908578 662377524 /nfs/dbraw/zinc/37/75/24/662377524.db2.gz VSXPQVYASKXMKU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC000949444836 662377610 /nfs/dbraw/zinc/37/76/10/662377610.db2.gz NJFQKVYRSVNNJA-NSHDSACASA-N 1 1 324.385 -1.102 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662123 662377636 /nfs/dbraw/zinc/37/76/36/662377636.db2.gz UAUUYBQZUFWFAR-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662123 662377638 /nfs/dbraw/zinc/37/76/38/662377638.db2.gz UAUUYBQZUFWFAR-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971047578 662377819 /nfs/dbraw/zinc/37/78/19/662377819.db2.gz BSANVIFUENTYTM-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046645 662378098 /nfs/dbraw/zinc/37/80/98/662378098.db2.gz SSQJMXSWWFPYCN-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971210511 662379728 /nfs/dbraw/zinc/37/97/28/662379728.db2.gz HXIRZZUYEFBWQB-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@](O)(C[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095664 662380054 /nfs/dbraw/zinc/38/00/54/662380054.db2.gz GCHSHTUTONMSDQ-UPJWGTAASA-N 1 1 319.427 -1.267 20 0 DAADMO C[C@](O)(C[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095664 662380055 /nfs/dbraw/zinc/38/00/55/662380055.db2.gz GCHSHTUTONMSDQ-UPJWGTAASA-N 1 1 319.427 -1.267 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971243476 662380176 /nfs/dbraw/zinc/38/01/76/662380176.db2.gz ZOQDYHZBLHIOMP-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098473 662380250 /nfs/dbraw/zinc/38/02/50/662380250.db2.gz FUQFXEAORDLRLY-KOLCDFICSA-N 1 1 307.372 -1.865 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098473 662380254 /nfs/dbraw/zinc/38/02/54/662380254.db2.gz FUQFXEAORDLRLY-KOLCDFICSA-N 1 1 307.372 -1.865 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001021801714 662380612 /nfs/dbraw/zinc/38/06/12/662380612.db2.gz YREAZDWUWOBKCC-PHIMTYICSA-N 1 1 303.326 -1.106 20 0 DAADMO CC(C)OCC[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100889 662380702 /nfs/dbraw/zinc/38/07/02/662380702.db2.gz NZALUKBXQKIPJQ-NWDGAFQWSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)OCC[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100889 662380704 /nfs/dbraw/zinc/38/07/04/662380704.db2.gz NZALUKBXQKIPJQ-NWDGAFQWSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933102236 662380720 /nfs/dbraw/zinc/38/07/20/662380720.db2.gz XUJHYYMZLBXVKB-RYUDHWBXSA-N 1 1 306.432 -1.478 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001021806748 662381001 /nfs/dbraw/zinc/38/10/01/662381001.db2.gz PXNDHOWZFUXKCT-OCAPTIKFSA-N 1 1 304.314 -1.244 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCOCC2)C1)[C@@H]1CCNC1=O ZINC000971357038 662381386 /nfs/dbraw/zinc/38/13/86/662381386.db2.gz OPJDLCNCOKWWNE-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCCNC1=O ZINC000971375972 662381393 /nfs/dbraw/zinc/38/13/93/662381393.db2.gz FLZJLRGCRFHLDW-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000971357040 662381461 /nfs/dbraw/zinc/38/14/61/662381461.db2.gz OPJDLCNCOKWWNE-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971374194 662381626 /nfs/dbraw/zinc/38/16/26/662381626.db2.gz WAHFPVGQTOVFOX-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971374194 662381627 /nfs/dbraw/zinc/38/16/27/662381627.db2.gz WAHFPVGQTOVFOX-LLVKDONJSA-N 1 1 322.369 -1.251 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1)c1nnnn1C ZINC001021854962 662381815 /nfs/dbraw/zinc/38/18/15/662381815.db2.gz RKVKNICFLNTRMM-CHWFTXMASA-N 1 1 310.358 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137273 662382001 /nfs/dbraw/zinc/38/20/01/662382001.db2.gz OUQTWZVNKBZHNJ-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137273 662382004 /nfs/dbraw/zinc/38/20/04/662382004.db2.gz OUQTWZVNKBZHNJ-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001021892831 662382200 /nfs/dbraw/zinc/38/22/00/662382200.db2.gz UWHFTGAAMWCWLY-UTINFBMNSA-N 1 1 308.342 -1.244 20 0 DAADMO Cn1nncc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137444 662382495 /nfs/dbraw/zinc/38/24/95/662382495.db2.gz OXRUQUJTTMHCOD-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137444 662382497 /nfs/dbraw/zinc/38/24/97/662382497.db2.gz OXRUQUJTTMHCOD-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452638 662383473 /nfs/dbraw/zinc/38/34/73/662383473.db2.gz SZISIHFLLLJKPE-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452638 662383474 /nfs/dbraw/zinc/38/34/74/662383474.db2.gz SZISIHFLLLJKPE-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC000971545605 662385406 /nfs/dbraw/zinc/38/54/06/662385406.db2.gz VCIRAFAFUSUNSG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2nccn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971609061 662386078 /nfs/dbraw/zinc/38/60/78/662386078.db2.gz SHBHZWUFBPWPBM-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971615281 662386771 /nfs/dbraw/zinc/38/67/71/662386771.db2.gz SGEPUKNWRURNNE-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137912 662386858 /nfs/dbraw/zinc/38/68/58/662386858.db2.gz SQISYBKHQOGMTQ-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137912 662386860 /nfs/dbraw/zinc/38/68/60/662386860.db2.gz SQISYBKHQOGMTQ-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137916 662386884 /nfs/dbraw/zinc/38/68/84/662386884.db2.gz SQISYBKHQOGMTQ-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137916 662386885 /nfs/dbraw/zinc/38/68/85/662386885.db2.gz SQISYBKHQOGMTQ-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)[C@@H]1C[N@@H+](C)CCN1C ZINC000933385553 662386887 /nfs/dbraw/zinc/38/68/87/662386887.db2.gz FIUKAYLLOQGWQD-VWYCJHECSA-N 1 1 300.428 -1.032 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCO ZINC000947460155 662387177 /nfs/dbraw/zinc/38/71/77/662387177.db2.gz RLZWCHKMKAPEJR-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633013 662387185 /nfs/dbraw/zinc/38/71/85/662387185.db2.gz LFUODMCGOJOFLH-VHSXEESVSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633013 662387187 /nfs/dbraw/zinc/38/71/87/662387187.db2.gz LFUODMCGOJOFLH-VHSXEESVSA-N 1 1 310.354 -1.458 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022134398 662387309 /nfs/dbraw/zinc/38/73/09/662387309.db2.gz YMMLKXAPEAEWCI-DTORHVGOSA-N 1 1 314.371 -2.009 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971641625 662387316 /nfs/dbraw/zinc/38/73/16/662387316.db2.gz NRFUEERYFFOURN-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971641625 662387317 /nfs/dbraw/zinc/38/73/17/662387317.db2.gz NRFUEERYFFOURN-JTQLQIEISA-N 1 1 318.399 -1.960 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633012 662387329 /nfs/dbraw/zinc/38/73/29/662387329.db2.gz LFUODMCGOJOFLH-UWVGGRQHSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633012 662387332 /nfs/dbraw/zinc/38/73/32/662387332.db2.gz LFUODMCGOJOFLH-UWVGGRQHSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640224 662387405 /nfs/dbraw/zinc/38/74/05/662387405.db2.gz DAVWTZSODVUIMA-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001022133755 662387416 /nfs/dbraw/zinc/38/74/16/662387416.db2.gz HKRDGFGXVHEXFF-AOOOYVTPSA-N 1 1 313.383 -1.404 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1)c1nnnn1C ZINC001022141195 662387626 /nfs/dbraw/zinc/38/76/26/662387626.db2.gz IJXXACKFMCPWNC-BBBLOLIVSA-N 1 1 305.346 -1.200 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971643774 662387640 /nfs/dbraw/zinc/38/76/40/662387640.db2.gz ZUNFZLKIIWEDQU-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000971690474 662388459 /nfs/dbraw/zinc/38/84/59/662388459.db2.gz SREIWIJENMPPSB-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000971697657 662388743 /nfs/dbraw/zinc/38/87/43/662388743.db2.gz UDOQZAIAZASSTQ-SECBINFHSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000971697657 662388744 /nfs/dbraw/zinc/38/87/44/662388744.db2.gz UDOQZAIAZASSTQ-SECBINFHSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)[C@H]1CCNC1=O ZINC000971689493 662388779 /nfs/dbraw/zinc/38/87/79/662388779.db2.gz JRAAMVIEPFUOSN-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947463318 662389209 /nfs/dbraw/zinc/38/92/09/662389209.db2.gz FKNPJDIKXUVGAR-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC000947463699 662389373 /nfs/dbraw/zinc/38/93/73/662389373.db2.gz LJWWETCMJWVMOU-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC000947463699 662389375 /nfs/dbraw/zinc/38/93/75/662389375.db2.gz LJWWETCMJWVMOU-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001022257062 662389427 /nfs/dbraw/zinc/38/94/27/662389427.db2.gz JVSISXOCFVVICN-OCAPTIKFSA-N 1 1 304.314 -1.244 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001022276600 662389854 /nfs/dbraw/zinc/38/98/54/662389854.db2.gz NTPVDUCUOUCFGI-CHWFTXMASA-N 1 1 324.385 -1.034 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)O1 ZINC001022276600 662389857 /nfs/dbraw/zinc/38/98/57/662389857.db2.gz NTPVDUCUOUCFGI-CHWFTXMASA-N 1 1 324.385 -1.034 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001022298766 662390035 /nfs/dbraw/zinc/39/00/35/662390035.db2.gz OQQNAVKQRLYSRB-GARJFASQSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnsn3)C2)c1=O ZINC001022331718 662390246 /nfs/dbraw/zinc/39/02/46/662390246.db2.gz NSVAXYBUBBBBSY-DTORHVGOSA-N 1 1 323.382 -1.130 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](CS(C)(=O)=O)C1 ZINC000933644971 662390261 /nfs/dbraw/zinc/39/02/61/662390261.db2.gz XRAPEOWILGIQMI-STQMWFEESA-N 1 1 324.443 -1.329 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](CS(C)(=O)=O)C1 ZINC000933644971 662390263 /nfs/dbraw/zinc/39/02/63/662390263.db2.gz XRAPEOWILGIQMI-STQMWFEESA-N 1 1 324.443 -1.329 20 0 DAADMO Cn1ncc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001038138846 662390274 /nfs/dbraw/zinc/39/02/74/662390274.db2.gz YLZVZMLNRQVNRN-OLZOCXBDSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001038138846 662390276 /nfs/dbraw/zinc/39/02/76/662390276.db2.gz YLZVZMLNRQVNRN-OLZOCXBDSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038224787 662390347 /nfs/dbraw/zinc/39/03/47/662390347.db2.gz DDDBXZNUKHMJDM-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038224787 662390350 /nfs/dbraw/zinc/39/03/50/662390350.db2.gz DDDBXZNUKHMJDM-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001038138847 662390514 /nfs/dbraw/zinc/39/05/14/662390514.db2.gz YLZVZMLNRQVNRN-QWHCGFSZSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001038138847 662390517 /nfs/dbraw/zinc/39/05/17/662390517.db2.gz YLZVZMLNRQVNRN-QWHCGFSZSA-N 1 1 308.386 -1.164 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817734 662390767 /nfs/dbraw/zinc/39/07/67/662390767.db2.gz JPHBXDOVWIFOLU-VHSXEESVSA-N 1 1 322.369 -1.436 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817734 662390769 /nfs/dbraw/zinc/39/07/69/662390769.db2.gz JPHBXDOVWIFOLU-VHSXEESVSA-N 1 1 322.369 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001022346032 662390859 /nfs/dbraw/zinc/39/08/59/662390859.db2.gz RTNISGYJKXJKRU-BBBLOLIVSA-N 1 1 307.358 -1.527 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC1=O ZINC000971817494 662390947 /nfs/dbraw/zinc/39/09/47/662390947.db2.gz HHZULTRNUFHVAZ-LLVKDONJSA-N 1 1 311.386 -2.222 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC1=O ZINC000971817494 662390950 /nfs/dbraw/zinc/39/09/50/662390950.db2.gz HHZULTRNUFHVAZ-LLVKDONJSA-N 1 1 311.386 -2.222 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817735 662391019 /nfs/dbraw/zinc/39/10/19/662391019.db2.gz JPHBXDOVWIFOLU-ZJUUUORDSA-N 1 1 322.369 -1.436 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000971817735 662391022 /nfs/dbraw/zinc/39/10/22/662391022.db2.gz JPHBXDOVWIFOLU-ZJUUUORDSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971822198 662391190 /nfs/dbraw/zinc/39/11/90/662391190.db2.gz SQEPLTBLXOPQOP-UWVGGRQHSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971822200 662391463 /nfs/dbraw/zinc/39/14/63/662391463.db2.gz SQEPLTBLXOPQOP-ZJUUUORDSA-N 1 1 310.358 -2.012 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2cn[nH]n2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971852260 662392385 /nfs/dbraw/zinc/39/23/85/662392385.db2.gz YDVHQDPQEIZJFD-PSASIEDQSA-N 1 1 306.326 -1.244 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2cn[nH]n2)C1)[C@H]1CCC(=O)NC1=O ZINC000971852261 662392564 /nfs/dbraw/zinc/39/25/64/662392564.db2.gz YDVHQDPQEIZJFD-SCZZXKLOSA-N 1 1 306.326 -1.244 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCCNC2=O)C1)[C@@H]1CCNC1=O ZINC000971857395 662392570 /nfs/dbraw/zinc/39/25/70/662392570.db2.gz AUEBVPJMAJLMJP-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)C(=O)NCCCc1nnnn1C)[C@H]1CC[N@@H+](C)C1 ZINC000933863796 662392617 /nfs/dbraw/zinc/39/26/17/662392617.db2.gz QDTNHFBYNGVUTA-NSHDSACASA-N 1 1 323.401 -1.189 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001022459540 662392914 /nfs/dbraw/zinc/39/29/14/662392914.db2.gz VNBIXKAPFKUJSB-DTORHVGOSA-N 1 1 318.341 -1.646 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884204 662393365 /nfs/dbraw/zinc/39/33/65/662393365.db2.gz FTUQOPJVSQIROF-ZJUUUORDSA-N 1 1 323.353 -1.645 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001022479662 662393386 /nfs/dbraw/zinc/39/33/86/662393386.db2.gz LDKQILSWHRVOTH-RWEMILLDSA-N 1 1 307.358 -1.527 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000971892283 662393408 /nfs/dbraw/zinc/39/34/08/662393408.db2.gz IDNIIMZGPXUWKV-WDEREUQCSA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000971892283 662393410 /nfs/dbraw/zinc/39/34/10/662393410.db2.gz IDNIIMZGPXUWKV-WDEREUQCSA-N 1 1 311.386 -1.205 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000933996898 662393442 /nfs/dbraw/zinc/39/34/42/662393442.db2.gz DXXPPVKSLYFJKW-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001022479663 662393538 /nfs/dbraw/zinc/39/35/38/662393538.db2.gz LDKQILSWHRVOTH-VYUIOLGVSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001022497482 662394020 /nfs/dbraw/zinc/39/40/20/662394020.db2.gz VGMITXYZKAJIOV-GARJFASQSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001022530798 662394390 /nfs/dbraw/zinc/39/43/90/662394390.db2.gz DPNZYWOLVDPDOK-OUAUKWLOSA-N 1 1 321.385 -1.042 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001022540390 662394420 /nfs/dbraw/zinc/39/44/20/662394420.db2.gz WSXZAXKASMGHRR-JXUBOQSCSA-N 1 1 307.358 -1.542 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001022537414 662394568 /nfs/dbraw/zinc/39/45/68/662394568.db2.gz JOYDSUANEVRJEJ-AOOOYVTPSA-N 1 1 324.410 -1.293 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001022545585 662394929 /nfs/dbraw/zinc/39/49/29/662394929.db2.gz YXUSYUWGARCZRU-AXTSPUMRSA-N 1 1 322.373 -1.469 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001022542563 662395150 /nfs/dbraw/zinc/39/51/50/662395150.db2.gz LJVXLGGKHNEMGO-OUAUKWLOSA-N 1 1 321.385 -1.044 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001022546930 662395420 /nfs/dbraw/zinc/39/54/20/662395420.db2.gz WRADHGFACFGUAX-HRDYMLBCSA-N 1 1 308.346 -2.030 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022552735 662395857 /nfs/dbraw/zinc/39/58/57/662395857.db2.gz UNQOEBWWHJLXMD-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000971965122 662396513 /nfs/dbraw/zinc/39/65/13/662396513.db2.gz BNNFXBYDCWIYLX-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1nnc2cc(C(=O)N3CC[C@@H]([N@H+](C)CC(N)=O)C3)cnc21 ZINC000971955482 662396737 /nfs/dbraw/zinc/39/67/37/662396737.db2.gz VBCMBNMHJLVLKO-SNVBAGLBSA-N 1 1 317.353 -1.005 20 0 DAADMO Cn1nnc2cc(C(=O)N3CC[C@@H]([N@@H+](C)CC(N)=O)C3)cnc21 ZINC000971955482 662396739 /nfs/dbraw/zinc/39/67/39/662396739.db2.gz VBCMBNMHJLVLKO-SNVBAGLBSA-N 1 1 317.353 -1.005 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001022559807 662396805 /nfs/dbraw/zinc/39/68/05/662396805.db2.gz ZRVOLYPUVODVRD-DTORHVGOSA-N 1 1 305.346 -1.128 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001022559310 662396931 /nfs/dbraw/zinc/39/69/31/662396931.db2.gz MKJYKUBUKYICNX-BIIVOSGPSA-N 1 1 306.334 -1.655 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)ncc1=O ZINC000971965672 662396963 /nfs/dbraw/zinc/39/69/63/662396963.db2.gz FUWNHCFYCPWDSI-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001022571918 662397180 /nfs/dbraw/zinc/39/71/80/662397180.db2.gz MQIGELJFCQOVAR-CHWFTXMASA-N 1 1 321.385 -1.014 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971994565 662397188 /nfs/dbraw/zinc/39/71/88/662397188.db2.gz AWCWJIGHZKVKEM-KOLCDFICSA-N 1 1 320.353 -1.617 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971994565 662397190 /nfs/dbraw/zinc/39/71/90/662397190.db2.gz AWCWJIGHZKVKEM-KOLCDFICSA-N 1 1 320.353 -1.617 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001022579196 662397263 /nfs/dbraw/zinc/39/72/63/662397263.db2.gz MOTPPHGMVFAVCT-ISTVAULSSA-N 1 1 321.385 -1.137 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971994570 662397370 /nfs/dbraw/zinc/39/73/70/662397370.db2.gz AWCWJIGHZKVKEM-ONGXEEELSA-N 1 1 320.353 -1.617 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971994570 662397371 /nfs/dbraw/zinc/39/73/71/662397371.db2.gz AWCWJIGHZKVKEM-ONGXEEELSA-N 1 1 320.353 -1.617 20 0 DAADMO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971996855 662397918 /nfs/dbraw/zinc/39/79/18/662397918.db2.gz ISNPCNSIWQXMDN-QWRGUYRKSA-N 1 1 317.411 -1.159 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001022615314 662398425 /nfs/dbraw/zinc/39/84/25/662398425.db2.gz GKDGLHJTTZJQKF-XHNCKOQMSA-N 1 1 318.341 -1.095 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)[C@H]1CCNC1=O ZINC000972074747 662399155 /nfs/dbraw/zinc/39/91/55/662399155.db2.gz CKMTVJPJGOHEDD-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972076376 662399351 /nfs/dbraw/zinc/39/93/51/662399351.db2.gz SCQRARXEIARBIS-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972076382 662399465 /nfs/dbraw/zinc/39/94/65/662399465.db2.gz SCQRARXEIARBIS-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)NC1=O ZINC000972078407 662399865 /nfs/dbraw/zinc/39/98/65/662399865.db2.gz GVOPFORDVKYEJN-NWDGAFQWSA-N 1 1 321.385 -1.166 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972080899 662399881 /nfs/dbraw/zinc/39/98/81/662399881.db2.gz XAAUTGQJIOTEAG-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)n1 ZINC000972111081 662400324 /nfs/dbraw/zinc/40/03/24/662400324.db2.gz CVCSNMQMTXIBCA-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)n1 ZINC000972111081 662400328 /nfs/dbraw/zinc/40/03/28/662400328.db2.gz CVCSNMQMTXIBCA-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCN(C)C3=O)C2)n1 ZINC000972112792 662400618 /nfs/dbraw/zinc/40/06/18/662400618.db2.gz ULLGMKFJMHYLIP-NXEZZACHSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCCNC3=O)C2)n1 ZINC000972117066 662401114 /nfs/dbraw/zinc/40/11/14/662401114.db2.gz RNVFIMLOMKYSPC-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001022704315 662401241 /nfs/dbraw/zinc/40/12/41/662401241.db2.gz ZXHQLZPAWCDLKY-QCLAVDOMSA-N 1 1 323.357 -2.020 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 ZINC001022703974 662401590 /nfs/dbraw/zinc/40/15/90/662401590.db2.gz UEELNDPBJQHDBM-BSJXLVFVSA-N 1 1 322.369 -1.415 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)c1nnnn1C ZINC001022725531 662401969 /nfs/dbraw/zinc/40/19/69/662401969.db2.gz BWTYPEBLCGABEF-OEZYJKACSA-N 1 1 307.358 -1.371 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972193078 662402616 /nfs/dbraw/zinc/40/26/16/662402616.db2.gz PBCUESDNUKTJMP-GXSJLCMTSA-N 1 1 305.338 -1.195 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198632 662402962 /nfs/dbraw/zinc/40/29/62/662402962.db2.gz IKIYMAVNLTYRIF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198632 662402966 /nfs/dbraw/zinc/40/29/66/662402966.db2.gz IKIYMAVNLTYRIF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCC(=O)N1 ZINC001022745170 662403352 /nfs/dbraw/zinc/40/33/52/662403352.db2.gz OCZPGPSONXWMFT-MMWGEVLESA-N 1 1 321.385 -1.138 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972221422 662403806 /nfs/dbraw/zinc/40/38/06/662403806.db2.gz BWHUFNUBSFCLEO-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217204 662403822 /nfs/dbraw/zinc/40/38/22/662403822.db2.gz SVGHORPFJPWMAO-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217204 662403825 /nfs/dbraw/zinc/40/38/25/662403825.db2.gz SVGHORPFJPWMAO-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@H]1CCC(=O)NC1=O ZINC000972223741 662404209 /nfs/dbraw/zinc/40/42/09/662404209.db2.gz HTOGJXYHLBDKEB-ZJUUUORDSA-N 1 1 322.365 -1.410 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215988 662404412 /nfs/dbraw/zinc/40/44/12/662404412.db2.gz LMKCUMVWHYCNPW-ZJUUUORDSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215988 662404413 /nfs/dbraw/zinc/40/44/13/662404413.db2.gz LMKCUMVWHYCNPW-ZJUUUORDSA-N 1 1 303.384 -1.561 20 0 DAADMO CN1C[C@@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400125 662404448 /nfs/dbraw/zinc/40/44/48/662404448.db2.gz GMWLSJWNYUCODD-ZDEQEGDKSA-N 1 1 310.398 -1.622 20 0 DAADMO CN1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926400122 662404591 /nfs/dbraw/zinc/40/45/91/662404591.db2.gz GMWLSJWNYUCODD-WUHRBBMRSA-N 1 1 310.398 -1.622 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972272043 662405227 /nfs/dbraw/zinc/40/52/27/662405227.db2.gz BHVULXFCDVQIFZ-JSGCOSHPSA-N 1 1 300.355 -1.303 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972272043 662405229 /nfs/dbraw/zinc/40/52/29/662405229.db2.gz BHVULXFCDVQIFZ-JSGCOSHPSA-N 1 1 300.355 -1.303 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972250329 662405581 /nfs/dbraw/zinc/40/55/81/662405581.db2.gz XJRWIVHYCHOXJC-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972250329 662405594 /nfs/dbraw/zinc/40/55/94/662405594.db2.gz XJRWIVHYCHOXJC-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972272041 662405917 /nfs/dbraw/zinc/40/59/17/662405917.db2.gz BHVULXFCDVQIFZ-GXTWGEPZSA-N 1 1 300.355 -1.303 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972272041 662405920 /nfs/dbraw/zinc/40/59/20/662405920.db2.gz BHVULXFCDVQIFZ-GXTWGEPZSA-N 1 1 300.355 -1.303 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249468 662405964 /nfs/dbraw/zinc/40/59/64/662405964.db2.gz PDQMUMBZAIOZAJ-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249468 662405967 /nfs/dbraw/zinc/40/59/67/662405967.db2.gz PDQMUMBZAIOZAJ-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000972298263 662406604 /nfs/dbraw/zinc/40/66/04/662406604.db2.gz XJSFAJLFVCVREA-QMMMGPOBSA-N 1 1 317.371 -1.804 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022782768 662406680 /nfs/dbraw/zinc/40/66/80/662406680.db2.gz GSCWRHLIXCZZLT-RNJXMRFFSA-N 1 1 322.329 -2.455 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022783091 662407260 /nfs/dbraw/zinc/40/72/60/662407260.db2.gz MLPXLYJTBWNPFT-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001011162061 662407726 /nfs/dbraw/zinc/40/77/26/662407726.db2.gz ZNQUZANVILYEPF-VXGBXAGGSA-N 1 1 308.382 -1.255 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972342237 662407773 /nfs/dbraw/zinc/40/77/73/662407773.db2.gz LDRURTLWKFCFLE-AEJSXWLSSA-N 1 1 322.369 -1.738 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)c1N ZINC000972355157 662408337 /nfs/dbraw/zinc/40/83/37/662408337.db2.gz JSJXUIPAUSMPSN-AWEZNQCLSA-N 1 1 309.370 -1.089 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)c1N ZINC000972355157 662408339 /nfs/dbraw/zinc/40/83/39/662408339.db2.gz JSJXUIPAUSMPSN-AWEZNQCLSA-N 1 1 309.370 -1.089 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972349284 662408448 /nfs/dbraw/zinc/40/84/48/662408448.db2.gz YGKNVFKUIGABDN-DZGCQCFKSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972349284 662408451 /nfs/dbraw/zinc/40/84/51/662408451.db2.gz YGKNVFKUIGABDN-DZGCQCFKSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972348707 662408713 /nfs/dbraw/zinc/40/87/13/662408713.db2.gz QZFSZYNEFKXJPR-CYBMUJFWSA-N 1 1 311.342 -1.721 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972348707 662408714 /nfs/dbraw/zinc/40/87/14/662408714.db2.gz QZFSZYNEFKXJPR-CYBMUJFWSA-N 1 1 311.342 -1.721 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176982 662409122 /nfs/dbraw/zinc/40/91/22/662409122.db2.gz ZLABNFWHYKFOIR-UHFFFAOYSA-N 1 1 318.341 -1.451 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381629 662409225 /nfs/dbraw/zinc/40/92/25/662409225.db2.gz SKOCFNIBQLCAAP-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381629 662409227 /nfs/dbraw/zinc/40/92/27/662409227.db2.gz SKOCFNIBQLCAAP-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972385063 662409712 /nfs/dbraw/zinc/40/97/12/662409712.db2.gz TXCOFJNNIJPCQS-QWRGUYRKSA-N 1 1 321.385 -1.356 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972385063 662409714 /nfs/dbraw/zinc/40/97/14/662409714.db2.gz TXCOFJNNIJPCQS-QWRGUYRKSA-N 1 1 321.385 -1.356 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972385061 662409928 /nfs/dbraw/zinc/40/99/28/662409928.db2.gz TXCOFJNNIJPCQS-GHMZBOCLSA-N 1 1 321.385 -1.356 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972385061 662409936 /nfs/dbraw/zinc/40/99/36/662409936.db2.gz TXCOFJNNIJPCQS-GHMZBOCLSA-N 1 1 321.385 -1.356 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1O ZINC001022847089 662410002 /nfs/dbraw/zinc/41/00/02/662410002.db2.gz JEYSMGSQUICUCM-JHJVBQTASA-N 1 1 323.397 -1.089 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001022848096 662410516 /nfs/dbraw/zinc/41/05/16/662410516.db2.gz FSRIOZTVKCOVDG-DTORHVGOSA-N 1 1 321.341 -2.000 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022862057 662412257 /nfs/dbraw/zinc/41/22/57/662412257.db2.gz RTHWURDDWPEIPZ-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC000972392494 662413790 /nfs/dbraw/zinc/41/37/90/662413790.db2.gz LNMCTRJWZCAPBS-CQSZACIVSA-N 1 1 322.369 -1.300 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)O1 ZINC001022869394 662413830 /nfs/dbraw/zinc/41/38/30/662413830.db2.gz AUOIGKFROJAWLR-OJAKKHQRSA-N 1 1 311.382 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)O1 ZINC001022869394 662413838 /nfs/dbraw/zinc/41/38/38/662413838.db2.gz AUOIGKFROJAWLR-OJAKKHQRSA-N 1 1 311.382 -1.197 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CC1=O ZINC000972407641 662414681 /nfs/dbraw/zinc/41/46/81/662414681.db2.gz KZESNJWGGWFEGY-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CC1=O ZINC000972407641 662414682 /nfs/dbraw/zinc/41/46/82/662414682.db2.gz KZESNJWGGWFEGY-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972424601 662415114 /nfs/dbraw/zinc/41/51/14/662415114.db2.gz KKAMTSWUEOFPNJ-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972424601 662415117 /nfs/dbraw/zinc/41/51/17/662415117.db2.gz KKAMTSWUEOFPNJ-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1 ZINC001022882956 662415201 /nfs/dbraw/zinc/41/52/01/662415201.db2.gz KNPLHYWYXHUAEP-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1 ZINC001022882956 662415204 /nfs/dbraw/zinc/41/52/04/662415204.db2.gz KNPLHYWYXHUAEP-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972419786 662415271 /nfs/dbraw/zinc/41/52/71/662415271.db2.gz JEDCVDPHWKZSJY-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972419786 662415275 /nfs/dbraw/zinc/41/52/75/662415275.db2.gz JEDCVDPHWKZSJY-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)cc1=O ZINC000972423426 662415436 /nfs/dbraw/zinc/41/54/36/662415436.db2.gz VLUHVQOFEUQWHF-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)cc1=O ZINC000972423426 662415439 /nfs/dbraw/zinc/41/54/39/662415439.db2.gz VLUHVQOFEUQWHF-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000972441229 662415804 /nfs/dbraw/zinc/41/58/04/662415804.db2.gz PNBUEBWBWLICHP-AWEZNQCLSA-N 1 1 309.370 -1.095 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1 ZINC001022928450 662417963 /nfs/dbraw/zinc/41/79/63/662417963.db2.gz VWVXMLDHJVVZLY-NQBHXWOUSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccco3)C2)C1 ZINC001022928450 662417971 /nfs/dbraw/zinc/41/79/71/662417971.db2.gz VWVXMLDHJVVZLY-NQBHXWOUSA-N 1 1 323.349 -1.088 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)ncc1=O ZINC000972471347 662418467 /nfs/dbraw/zinc/41/84/67/662418467.db2.gz IYGMTGWZAUJMPU-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)ncc1=O ZINC000972471347 662418474 /nfs/dbraw/zinc/41/84/74/662418474.db2.gz IYGMTGWZAUJMPU-OAHLLOKOSA-N 1 1 322.365 -1.311 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@]2(C1)CN(CC(N)=O)CCO2 ZINC000972467401 662418646 /nfs/dbraw/zinc/41/86/46/662418646.db2.gz XGZCCNQAVWIJKN-HNNXBMFYSA-N 1 1 321.381 -1.020 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480023 662419575 /nfs/dbraw/zinc/41/95/75/662419575.db2.gz GHPCCRMVQLGPJH-LSDHHAIUSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480023 662419577 /nfs/dbraw/zinc/41/95/77/662419577.db2.gz GHPCCRMVQLGPJH-LSDHHAIUSA-N 1 1 311.382 -1.192 20 0 DAADMO Cn1cnn(CCC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1=O ZINC000888983927 662420478 /nfs/dbraw/zinc/42/04/78/662420478.db2.gz VBXHGZKAZGWFEB-UHFFFAOYSA-N 1 1 310.402 -1.322 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972493094 662422276 /nfs/dbraw/zinc/42/22/76/662422276.db2.gz BAURRCXVNPSZDW-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972493094 662422277 /nfs/dbraw/zinc/42/22/77/662422277.db2.gz BAURRCXVNPSZDW-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023012668 662423393 /nfs/dbraw/zinc/42/33/93/662423393.db2.gz XTMKMEAKIXNAIM-HBNTYKKESA-N 1 1 323.357 -2.687 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)cn1 ZINC001023019156 662424049 /nfs/dbraw/zinc/42/40/49/662424049.db2.gz AMZMJGHQYDKTPA-JHJVBQTASA-N 1 1 321.381 -1.184 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000972496776 662424369 /nfs/dbraw/zinc/42/43/69/662424369.db2.gz JSZWUJWNSZPXQP-HNNXBMFYSA-N 1 1 310.398 -1.259 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023031382 662425335 /nfs/dbraw/zinc/42/53/35/662425335.db2.gz VPPWQRFPPKLMFL-UTUOFQBUSA-N 1 1 321.385 -1.185 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001023031381 662425471 /nfs/dbraw/zinc/42/54/71/662425471.db2.gz VPPWQRFPPKLMFL-SDDRHHMPSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001023056243 662425828 /nfs/dbraw/zinc/42/58/28/662425828.db2.gz KECZCZLNBIBWLV-DTORHVGOSA-N 1 1 318.341 -1.646 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1)c1nnnn1C ZINC001023061093 662426903 /nfs/dbraw/zinc/42/69/03/662426903.db2.gz AGCKZCJFFBRFLK-LPEHRKFASA-N 1 1 305.346 -1.200 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1)c1nnnn1C ZINC001023061091 662427295 /nfs/dbraw/zinc/42/72/95/662427295.db2.gz AGCKZCJFFBRFLK-BBBLOLIVSA-N 1 1 305.346 -1.200 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507360 662427874 /nfs/dbraw/zinc/42/78/74/662427874.db2.gz YYGGEUJLSXGDLT-ZWNOBZJWSA-N 1 1 310.358 -1.492 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c(=O)[nH]c1=O ZINC001023080960 662427815 /nfs/dbraw/zinc/42/78/15/662427815.db2.gz VRJPHTVGLBVEKW-OCAPTIKFSA-N 1 1 320.309 -1.081 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507360 662427873 /nfs/dbraw/zinc/42/78/73/662427873.db2.gz YYGGEUJLSXGDLT-ZWNOBZJWSA-N 1 1 310.358 -1.492 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001023109542 662431385 /nfs/dbraw/zinc/43/13/85/662431385.db2.gz PFAVXTWRBMBKKM-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936911271 662431836 /nfs/dbraw/zinc/43/18/36/662431836.db2.gz LUCKZOBVVFFQCW-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)C1 ZINC001023115145 662432001 /nfs/dbraw/zinc/43/20/01/662432001.db2.gz AOLQBBBEXLELMK-TUAOUCFPSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NCc3nnn(C)n3)C2)C1 ZINC001023115145 662432002 /nfs/dbraw/zinc/43/20/02/662432002.db2.gz AOLQBBBEXLELMK-TUAOUCFPSA-N 1 1 323.401 -1.332 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC000972526784 662439639 /nfs/dbraw/zinc/43/96/39/662439639.db2.gz LEZQJFBQMPNWIP-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023172683 662436682 /nfs/dbraw/zinc/43/66/82/662436682.db2.gz HLNAQEMLENWWCF-KGYLQXTDSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001023193422 662438208 /nfs/dbraw/zinc/43/82/08/662438208.db2.gz WHNOIPOPPKIOEO-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001023193422 662438212 /nfs/dbraw/zinc/43/82/12/662438212.db2.gz WHNOIPOPPKIOEO-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001023193422 662438214 /nfs/dbraw/zinc/43/82/14/662438214.db2.gz WHNOIPOPPKIOEO-GRYCIOLGSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023192330 662438224 /nfs/dbraw/zinc/43/82/24/662438224.db2.gz JZIVJLJHOJCVST-NQBHXWOUSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023195295 662439004 /nfs/dbraw/zinc/43/90/04/662439004.db2.gz NUVRPSJXZVCFNJ-JLLWLGSASA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023195295 662439005 /nfs/dbraw/zinc/43/90/05/662439005.db2.gz NUVRPSJXZVCFNJ-JLLWLGSASA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001023193507 662439131 /nfs/dbraw/zinc/43/91/31/662439131.db2.gz XSLFFZAYNWIPGJ-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)C[N@H+](CCn1cccn1)CCO2 ZINC000972527435 662439669 /nfs/dbraw/zinc/43/96/69/662439669.db2.gz UIWKNVPQCASFIL-CQSZACIVSA-N 1 1 307.354 -1.328 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)C[N@@H+](CCn1cccn1)CCO2 ZINC000972527435 662439673 /nfs/dbraw/zinc/43/96/73/662439673.db2.gz UIWKNVPQCASFIL-CQSZACIVSA-N 1 1 307.354 -1.328 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023207899 662440440 /nfs/dbraw/zinc/44/04/40/662440440.db2.gz JJLZWZTZGWTRBK-GMTAPVOTSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023207899 662440443 /nfs/dbraw/zinc/44/04/43/662440443.db2.gz JJLZWZTZGWTRBK-GMTAPVOTSA-N 1 1 308.342 -1.800 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023216392 662441170 /nfs/dbraw/zinc/44/11/70/662441170.db2.gz GHFWFNKOEMGEIZ-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001023214072 662441214 /nfs/dbraw/zinc/44/12/14/662441214.db2.gz BOHDXKPEYLUCEA-GMTAPVOTSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001023216059 662441358 /nfs/dbraw/zinc/44/13/58/662441358.db2.gz BMPCDNMLYGQJTC-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O ZINC001023208900 662441524 /nfs/dbraw/zinc/44/15/24/662441524.db2.gz ZOEXCEFSUNXTQI-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)CC1 ZINC000972528365 662441550 /nfs/dbraw/zinc/44/15/50/662441550.db2.gz NAUKTSOBNKSNSU-CQSZACIVSA-N 1 1 311.382 -1.062 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)CC1 ZINC000972528365 662441559 /nfs/dbraw/zinc/44/15/59/662441559.db2.gz NAUKTSOBNKSNSU-CQSZACIVSA-N 1 1 311.382 -1.062 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001023212618 662441868 /nfs/dbraw/zinc/44/18/68/662441868.db2.gz KNSKSYBSZSEJLR-GMTAPVOTSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023212979 662441917 /nfs/dbraw/zinc/44/19/17/662441917.db2.gz WLSVXLJKQCFHEX-JFGNBEQYSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001023214640 662442461 /nfs/dbraw/zinc/44/24/61/662442461.db2.gz JOTKZTRFKIYYMU-GRYCIOLGSA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528831 662442531 /nfs/dbraw/zinc/44/25/31/662442531.db2.gz TUDMTNSCQUYFKM-SMDDNHRTSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528831 662442537 /nfs/dbraw/zinc/44/25/37/662442537.db2.gz TUDMTNSCQUYFKM-SMDDNHRTSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528830 662442840 /nfs/dbraw/zinc/44/28/40/662442840.db2.gz TUDMTNSCQUYFKM-RISCZKNCSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528830 662442843 /nfs/dbraw/zinc/44/28/43/662442843.db2.gz TUDMTNSCQUYFKM-RISCZKNCSA-N 1 1 311.382 -1.064 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccon2)C1 ZINC001023232537 662442908 /nfs/dbraw/zinc/44/29/08/662442908.db2.gz DPPNNWSOKXEKGX-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535351 662443326 /nfs/dbraw/zinc/44/33/26/662443326.db2.gz ZZGDTZZOFCTVGI-PUUHTONNSA-N 1 1 323.353 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535351 662443329 /nfs/dbraw/zinc/44/33/29/662443329.db2.gz ZZGDTZZOFCTVGI-PUUHTONNSA-N 1 1 323.353 -2.007 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1 ZINC001023244073 662443355 /nfs/dbraw/zinc/44/33/55/662443355.db2.gz AQPNWSZOGZFMIZ-CYZMBNFOSA-N 1 1 322.365 -1.143 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972541663 662444663 /nfs/dbraw/zinc/44/46/63/662444663.db2.gz QULNOGMKLMJORA-QWRGUYRKSA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023281317 662444676 /nfs/dbraw/zinc/44/46/76/662444676.db2.gz ILZCCNUBUCMEOZ-MXWKQRLJSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023281317 662444680 /nfs/dbraw/zinc/44/46/80/662444680.db2.gz ILZCCNUBUCMEOZ-MXWKQRLJSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023279230 662444697 /nfs/dbraw/zinc/44/46/97/662444697.db2.gz OMQVMKCSSKTDHH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023279230 662444699 /nfs/dbraw/zinc/44/46/99/662444699.db2.gz OMQVMKCSSKTDHH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023278732 662444731 /nfs/dbraw/zinc/44/47/31/662444731.db2.gz GPWSVQPQXPCKEN-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023278732 662444732 /nfs/dbraw/zinc/44/47/32/662444732.db2.gz GPWSVQPQXPCKEN-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC001023267366 662444739 /nfs/dbraw/zinc/44/47/39/662444739.db2.gz QMCHIQNUDGFQKR-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972542067 662444757 /nfs/dbraw/zinc/44/47/57/662444757.db2.gz UXHGYHQKJLOUFQ-WCBMZHEXSA-N 1 1 310.354 -1.554 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)C1 ZINC001023283344 662444798 /nfs/dbraw/zinc/44/47/98/662444798.db2.gz PLXVUENAZTZZSP-UTUOFQBUSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C)CC3)C[C@H]2O)C1 ZINC001023283344 662444800 /nfs/dbraw/zinc/44/48/00/662444800.db2.gz PLXVUENAZTZZSP-UTUOFQBUSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)C1 ZINC001023279052 662444860 /nfs/dbraw/zinc/44/48/60/662444860.db2.gz LMJQEYXHGUWISK-NQBHXWOUSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)C1 ZINC001023279052 662444861 /nfs/dbraw/zinc/44/48/61/662444861.db2.gz LMJQEYXHGUWISK-NQBHXWOUSA-N 1 1 323.349 -1.088 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949743068 662445177 /nfs/dbraw/zinc/44/51/77/662445177.db2.gz GQFRIMHSFDVYQK-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949743068 662445178 /nfs/dbraw/zinc/44/51/78/662445178.db2.gz GQFRIMHSFDVYQK-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CCNC1=O ZINC000972548437 662446026 /nfs/dbraw/zinc/44/60/26/662446026.db2.gz JCDIFOWNZVEKAU-CABCVRRESA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CCNC1=O ZINC000972548437 662446028 /nfs/dbraw/zinc/44/60/28/662446028.db2.gz JCDIFOWNZVEKAU-CABCVRRESA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972555471 662446480 /nfs/dbraw/zinc/44/64/80/662446480.db2.gz OOBAIFQIWOHOGB-NEPJUHHUSA-N 1 1 324.381 -1.160 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001023364985 662446706 /nfs/dbraw/zinc/44/67/06/662446706.db2.gz UPKAARAHBMAODT-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001023364985 662446708 /nfs/dbraw/zinc/44/67/08/662446708.db2.gz UPKAARAHBMAODT-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO CCn1nc(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)ccc1=O ZINC000972566978 662447955 /nfs/dbraw/zinc/44/79/55/662447955.db2.gz AMMXOMHWUODSIU-SNVBAGLBSA-N 1 1 307.354 -1.105 20 0 DAADMO CCn1nc(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)ccc1=O ZINC000972566978 662447956 /nfs/dbraw/zinc/44/79/56/662447956.db2.gz AMMXOMHWUODSIU-SNVBAGLBSA-N 1 1 307.354 -1.105 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001023481113 662449406 /nfs/dbraw/zinc/44/94/06/662449406.db2.gz QYITWFZPNMMGPI-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001023494480 662450228 /nfs/dbraw/zinc/45/02/28/662450228.db2.gz JWBUGOUUZWAAMU-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC000972578908 662450237 /nfs/dbraw/zinc/45/02/37/662450237.db2.gz LHMLSTXLOPPLPC-SECBINFHSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC000972578908 662450239 /nfs/dbraw/zinc/45/02/39/662450239.db2.gz LHMLSTXLOPPLPC-SECBINFHSA-N 1 1 303.326 -1.244 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001023500416 662450491 /nfs/dbraw/zinc/45/04/91/662450491.db2.gz TXRDDHLQIGFLRF-JTQLQIEISA-N 1 1 307.354 -1.293 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](CCn3cncn3)C2)n1 ZINC001023540110 662450997 /nfs/dbraw/zinc/45/09/97/662450997.db2.gz CPEVTVLSQNWEHW-LLVKDONJSA-N 1 1 319.373 -1.056 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001023528490 662451018 /nfs/dbraw/zinc/45/10/18/662451018.db2.gz MHUAXZNTOBCMHC-SECBINFHSA-N 1 1 323.353 -1.587 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001023529128 662451120 /nfs/dbraw/zinc/45/11/20/662451120.db2.gz XKBOSAYSXZZLMF-SNVBAGLBSA-N 1 1 310.354 -1.080 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001023540211 662451173 /nfs/dbraw/zinc/45/11/73/662451173.db2.gz DSERZHQXFYNKPW-NXEZZACHSA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001023541539 662451486 /nfs/dbraw/zinc/45/14/86/662451486.db2.gz OFJXELZHJFPVKS-QWRGUYRKSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001023541538 662451664 /nfs/dbraw/zinc/45/16/64/662451664.db2.gz OFJXELZHJFPVKS-MNOVXSKESA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023565093 662452402 /nfs/dbraw/zinc/45/24/02/662452402.db2.gz NNPXLVCJUSYDBN-HOSYDEDBSA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023565090 662452505 /nfs/dbraw/zinc/45/25/05/662452505.db2.gz NNPXLVCJUSYDBN-CKYFFXLPSA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566126 662453252 /nfs/dbraw/zinc/45/32/52/662453252.db2.gz JLVDXFWPCYTUJX-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566126 662453253 /nfs/dbraw/zinc/45/32/53/662453253.db2.gz JLVDXFWPCYTUJX-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566125 662453303 /nfs/dbraw/zinc/45/33/03/662453303.db2.gz JLVDXFWPCYTUJX-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566125 662453305 /nfs/dbraw/zinc/45/33/05/662453305.db2.gz JLVDXFWPCYTUJX-CMPLNLGQSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)nn1 ZINC001023590342 662454064 /nfs/dbraw/zinc/45/40/64/662454064.db2.gz QGWGQYXHYAWOGZ-HOSYDEDBSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972603328 662454851 /nfs/dbraw/zinc/45/48/51/662454851.db2.gz ATQYLUFUSBULOP-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972603328 662454852 /nfs/dbraw/zinc/45/48/52/662454852.db2.gz ATQYLUFUSBULOP-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972600546 662455038 /nfs/dbraw/zinc/45/50/38/662455038.db2.gz AAHTYBOZKOKYTN-VIFPVBQESA-N 1 1 323.353 -1.243 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972600546 662455039 /nfs/dbraw/zinc/45/50/39/662455039.db2.gz AAHTYBOZKOKYTN-VIFPVBQESA-N 1 1 323.353 -1.243 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cnnn3)C2)C1=O ZINC000972610749 662455249 /nfs/dbraw/zinc/45/52/49/662455249.db2.gz VBJJVKRJIMVFQX-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972612074 662455287 /nfs/dbraw/zinc/45/52/87/662455287.db2.gz PDFKHCYUYMVICY-CQSZACIVSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972612074 662455288 /nfs/dbraw/zinc/45/52/88/662455288.db2.gz PDFKHCYUYMVICY-CQSZACIVSA-N 1 1 324.385 -1.251 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cnnn3)C2)C1=O ZINC000972610747 662455312 /nfs/dbraw/zinc/45/53/12/662455312.db2.gz VBJJVKRJIMVFQX-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC000972635911 662457245 /nfs/dbraw/zinc/45/72/45/662457245.db2.gz MJPCBIPYAFPYJE-NSHDSACASA-N 1 1 307.354 -1.349 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC000972635911 662457247 /nfs/dbraw/zinc/45/72/47/662457247.db2.gz MJPCBIPYAFPYJE-NSHDSACASA-N 1 1 307.354 -1.349 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738987 662457911 /nfs/dbraw/zinc/45/79/11/662457911.db2.gz KITLGHHRCALKFF-SECBINFHSA-N 1 1 320.353 -1.497 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738987 662457912 /nfs/dbraw/zinc/45/79/12/662457912.db2.gz KITLGHHRCALKFF-SECBINFHSA-N 1 1 320.353 -1.497 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001023742488 662458067 /nfs/dbraw/zinc/45/80/67/662458067.db2.gz IJDYKNABSMIJLC-VIFPVBQESA-N 1 1 323.353 -1.587 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766624 662458158 /nfs/dbraw/zinc/45/81/58/662458158.db2.gz VETGOWJLFIPQIO-LLVKDONJSA-N 1 1 323.397 -1.088 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001023761575 662458187 /nfs/dbraw/zinc/45/81/87/662458187.db2.gz DBERNJLCIQZONS-SECBINFHSA-N 1 1 323.357 -2.310 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001023761575 662458190 /nfs/dbraw/zinc/45/81/90/662458190.db2.gz DBERNJLCIQZONS-SECBINFHSA-N 1 1 323.357 -2.310 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972667247 662458270 /nfs/dbraw/zinc/45/82/70/662458270.db2.gz MCXQKUYDJBJEGN-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972667247 662458271 /nfs/dbraw/zinc/45/82/71/662458271.db2.gz MCXQKUYDJBJEGN-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000972672205 662458288 /nfs/dbraw/zinc/45/82/88/662458288.db2.gz YRNUVHVPGKLCIV-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023754096 662458393 /nfs/dbraw/zinc/45/83/93/662458393.db2.gz UQWRUHWHFKTAON-QWRGUYRKSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763441 662458685 /nfs/dbraw/zinc/45/86/85/662458685.db2.gz NFSVKSDCOKRJKZ-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001023766651 662458808 /nfs/dbraw/zinc/45/88/08/662458808.db2.gz VSXWETCLYAZNNA-SNVBAGLBSA-N 1 1 309.370 -1.349 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023782129 662459243 /nfs/dbraw/zinc/45/92/43/662459243.db2.gz FBJGULDMPWQDQR-CKYFFXLPSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)C1 ZINC001023782327 662459258 /nfs/dbraw/zinc/45/92/58/662459258.db2.gz KPJDDJGJQWWZBD-JHJVBQTASA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2O)C1 ZINC001023782218 662459274 /nfs/dbraw/zinc/45/92/74/662459274.db2.gz HRKISYKUXGFUGD-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023777400 662459296 /nfs/dbraw/zinc/45/92/96/662459296.db2.gz IGPWIXFZOLJLLB-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023777400 662459298 /nfs/dbraw/zinc/45/92/98/662459298.db2.gz IGPWIXFZOLJLLB-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023782391 662459345 /nfs/dbraw/zinc/45/93/45/662459345.db2.gz MNYVOYDWPUMQMQ-MVWJERBFSA-N 1 1 322.369 -1.932 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001023782573 662459370 /nfs/dbraw/zinc/45/93/70/662459370.db2.gz SZPWUNWTVCQBNS-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001023782573 662459372 /nfs/dbraw/zinc/45/93/72/662459372.db2.gz SZPWUNWTVCQBNS-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001023782573 662459374 /nfs/dbraw/zinc/45/93/74/662459374.db2.gz SZPWUNWTVCQBNS-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2O)C1 ZINC001023782186 662459399 /nfs/dbraw/zinc/45/93/99/662459399.db2.gz GUTZBYGHSTVVOK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2O)C1 ZINC001023782186 662459402 /nfs/dbraw/zinc/45/94/02/662459402.db2.gz GUTZBYGHSTVVOK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2O)C1 ZINC001023782186 662459404 /nfs/dbraw/zinc/45/94/04/662459404.db2.gz GUTZBYGHSTVVOK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(CC(N)=O)CCO3)C1 ZINC000972673643 662459407 /nfs/dbraw/zinc/45/94/07/662459407.db2.gz KOKNBYJZNIURTF-WFASDCNBSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)C1 ZINC001023783593 662459606 /nfs/dbraw/zinc/45/96/06/662459606.db2.gz KYMKWLAOISNTTN-QJPTWQEYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001023783793 662459863 /nfs/dbraw/zinc/45/98/63/662459863.db2.gz NSPYXAKDZGSMBJ-FBIMIBRVSA-N 1 1 309.326 -1.677 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2O)C1 ZINC001023783723 662459888 /nfs/dbraw/zinc/45/98/88/662459888.db2.gz MQVMAFXIKTXBLR-HBNTYKKESA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2O)C1 ZINC001023783592 662459975 /nfs/dbraw/zinc/45/99/75/662459975.db2.gz KYMKWLAOISNTTN-IJLUTSLNSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023787307 662460157 /nfs/dbraw/zinc/46/01/57/662460157.db2.gz JGZNKUHTJWEVRW-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)C1 ZINC001023787307 662460161 /nfs/dbraw/zinc/46/01/61/662460161.db2.gz JGZNKUHTJWEVRW-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)C1 ZINC001023787307 662460165 /nfs/dbraw/zinc/46/01/65/662460165.db2.gz JGZNKUHTJWEVRW-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023788005 662460214 /nfs/dbraw/zinc/46/02/14/662460214.db2.gz RRYFJNYDRXCCPE-CYZMBNFOSA-N 1 1 321.381 -1.327 20 0 DAADMO CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000972685015 662460244 /nfs/dbraw/zinc/46/02/44/662460244.db2.gz KDUQQGLBRXEMHE-AWEZNQCLSA-N 1 1 322.369 -1.300 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000972685015 662460245 /nfs/dbraw/zinc/46/02/45/662460245.db2.gz KDUQQGLBRXEMHE-AWEZNQCLSA-N 1 1 322.369 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023789070 662460512 /nfs/dbraw/zinc/46/05/12/662460512.db2.gz PKHVBINRRADFAD-FBIMIBRVSA-N 1 1 308.342 -1.942 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001023791409 662460607 /nfs/dbraw/zinc/46/06/07/662460607.db2.gz XXKBFUVCGCUOGD-RAIGVLPGSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2O)C1 ZINC001023788312 662460625 /nfs/dbraw/zinc/46/06/25/662460625.db2.gz VFEYZCSWTXMQJV-JHJVBQTASA-N 1 1 319.365 -1.270 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001023793692 662460872 /nfs/dbraw/zinc/46/08/72/662460872.db2.gz MKQZACPHKPVSHG-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)nn1 ZINC000947301111 662460959 /nfs/dbraw/zinc/46/09/59/662460959.db2.gz NZERFQUUNFHZSL-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)nn1 ZINC000947301111 662460960 /nfs/dbraw/zinc/46/09/60/662460960.db2.gz NZERFQUUNFHZSL-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023789071 662460977 /nfs/dbraw/zinc/46/09/77/662460977.db2.gz PKHVBINRRADFAD-JMJZKYOTSA-N 1 1 308.342 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1O ZINC001023799454 662461196 /nfs/dbraw/zinc/46/11/96/662461196.db2.gz DVFGQMDGYHSLOX-YNEHKIRRSA-N 1 1 322.365 -1.084 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001023861565 662463117 /nfs/dbraw/zinc/46/31/17/662463117.db2.gz SKTXAGHZBLNHBD-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023894628 662463963 /nfs/dbraw/zinc/46/39/63/662463963.db2.gz WWWQKTYSXZWBNJ-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000972717507 662465159 /nfs/dbraw/zinc/46/51/59/662465159.db2.gz HGSKILRLJLMVFC-UWVGGRQHSA-N 1 1 306.370 -1.072 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000972717507 662465160 /nfs/dbraw/zinc/46/51/60/662465160.db2.gz HGSKILRLJLMVFC-UWVGGRQHSA-N 1 1 306.370 -1.072 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001023965736 662465532 /nfs/dbraw/zinc/46/55/32/662465532.db2.gz OJFKARHFFWLLKI-UWVGGRQHSA-N 1 1 323.357 -1.353 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001023965735 662465726 /nfs/dbraw/zinc/46/57/26/662465726.db2.gz OJFKARHFFWLLKI-NXEZZACHSA-N 1 1 323.357 -1.353 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001023973228 662465932 /nfs/dbraw/zinc/46/59/32/662465932.db2.gz ICJTVGVZOXZRJN-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C2)n1 ZINC000972777949 662466524 /nfs/dbraw/zinc/46/65/24/662466524.db2.gz YHDXANAUFQUSCQ-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C2)n1 ZINC000972777947 662466530 /nfs/dbraw/zinc/46/65/30/662466530.db2.gz YHDXANAUFQUSCQ-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972799987 662467568 /nfs/dbraw/zinc/46/75/68/662467568.db2.gz PLMACTKNBDWPNX-LLVKDONJSA-N 1 1 319.373 -1.209 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799502 662467695 /nfs/dbraw/zinc/46/76/95/662467695.db2.gz DOQGLZXOMGIWLO-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799502 662467697 /nfs/dbraw/zinc/46/76/97/662467697.db2.gz DOQGLZXOMGIWLO-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795296 662467764 /nfs/dbraw/zinc/46/77/64/662467764.db2.gz YYGPESBOIJPOJA-WDEREUQCSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795296 662467767 /nfs/dbraw/zinc/46/77/67/662467767.db2.gz YYGPESBOIJPOJA-WDEREUQCSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1 ZINC001024088946 662468060 /nfs/dbraw/zinc/46/80/60/662468060.db2.gz GUWJNQXDFQCSDR-IJLUTSLNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1 ZINC001024088946 662468062 /nfs/dbraw/zinc/46/80/62/662468062.db2.gz GUWJNQXDFQCSDR-IJLUTSLNSA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800009 662468364 /nfs/dbraw/zinc/46/83/64/662468364.db2.gz QBUPDZDBZWUTTC-NXEZZACHSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800009 662468365 /nfs/dbraw/zinc/46/83/65/662468365.db2.gz QBUPDZDBZWUTTC-NXEZZACHSA-N 1 1 309.374 -1.366 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1 ZINC001024101524 662468387 /nfs/dbraw/zinc/46/83/87/662468387.db2.gz ZHMKIPHDBHBGIL-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1 ZINC001024101524 662468392 /nfs/dbraw/zinc/46/83/92/662468392.db2.gz ZHMKIPHDBHBGIL-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001024105907 662468400 /nfs/dbraw/zinc/46/84/00/662468400.db2.gz PADWZGWPTOWXDM-VIFPVBQESA-N 1 1 320.361 -1.624 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCNC3=O)C2)n1 ZINC001024092645 662468525 /nfs/dbraw/zinc/46/85/25/662468525.db2.gz FYLASLCCSDOXIN-QWRGUYRKSA-N 1 1 321.385 -1.326 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800050 662468713 /nfs/dbraw/zinc/46/87/13/662468713.db2.gz QWFQBNFTYOYHOK-MNOVXSKESA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800050 662468719 /nfs/dbraw/zinc/46/87/19/662468719.db2.gz QWFQBNFTYOYHOK-MNOVXSKESA-N 1 1 323.401 -1.024 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024122044 662469299 /nfs/dbraw/zinc/46/92/99/662469299.db2.gz LTOOAWZRMWIPGP-OUAUKWLOSA-N 1 1 312.370 -1.966 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024545416 662476842 /nfs/dbraw/zinc/47/68/42/662476842.db2.gz SOPZVEFUTRRXLS-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024545416 662476844 /nfs/dbraw/zinc/47/68/44/662476844.db2.gz SOPZVEFUTRRXLS-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024545416 662476848 /nfs/dbraw/zinc/47/68/48/662476848.db2.gz SOPZVEFUTRRXLS-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001024546385 662477335 /nfs/dbraw/zinc/47/73/35/662477335.db2.gz JGMBMLLUWDTWKC-OUAUKWLOSA-N 1 1 310.358 -1.554 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CCC1 ZINC001024549815 662477503 /nfs/dbraw/zinc/47/75/03/662477503.db2.gz NYIXHFCPIGLAQW-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024554999 662477883 /nfs/dbraw/zinc/47/78/83/662477883.db2.gz LEFNVZBZXTVVBF-IJLUTSLNSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024554999 662477887 /nfs/dbraw/zinc/47/78/87/662477887.db2.gz LEFNVZBZXTVVBF-IJLUTSLNSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024554999 662477892 /nfs/dbraw/zinc/47/78/92/662477892.db2.gz LEFNVZBZXTVVBF-IJLUTSLNSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024550695 662477977 /nfs/dbraw/zinc/47/79/77/662477977.db2.gz GICMELWPEJSHTJ-FBIMIBRVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024550695 662477980 /nfs/dbraw/zinc/47/79/80/662477980.db2.gz GICMELWPEJSHTJ-FBIMIBRVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024550695 662477985 /nfs/dbraw/zinc/47/79/85/662477985.db2.gz GICMELWPEJSHTJ-FBIMIBRVSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024550696 662478150 /nfs/dbraw/zinc/47/81/50/662478150.db2.gz GICMELWPEJSHTJ-JMJZKYOTSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024550696 662478152 /nfs/dbraw/zinc/47/81/52/662478152.db2.gz GICMELWPEJSHTJ-JMJZKYOTSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024550696 662478157 /nfs/dbraw/zinc/47/81/57/662478157.db2.gz GICMELWPEJSHTJ-JMJZKYOTSA-N 1 1 308.342 -1.942 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947619377 662479192 /nfs/dbraw/zinc/47/91/92/662479192.db2.gz HOSGRMQFHAYFBW-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947619377 662479197 /nfs/dbraw/zinc/47/91/97/662479197.db2.gz HOSGRMQFHAYFBW-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000935498541 662479659 /nfs/dbraw/zinc/47/96/59/662479659.db2.gz HEWYUBUOHOYQLU-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000935498541 662479661 /nfs/dbraw/zinc/47/96/61/662479661.db2.gz HEWYUBUOHOYQLU-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001024628972 662480240 /nfs/dbraw/zinc/48/02/40/662480240.db2.gz XCUONDDRRKISLG-NEPJUHHUSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001024628972 662480244 /nfs/dbraw/zinc/48/02/44/662480244.db2.gz XCUONDDRRKISLG-NEPJUHHUSA-N 1 1 323.397 -1.083 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024629171 662480707 /nfs/dbraw/zinc/48/07/07/662480707.db2.gz YRISWMOTTQPDQP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001024629171 662480711 /nfs/dbraw/zinc/48/07/11/662480711.db2.gz YRISWMOTTQPDQP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(=O)n(C)c1=O ZINC001024685888 662481388 /nfs/dbraw/zinc/48/13/88/662481388.db2.gz PUTMWUWETNLXIW-NSHDSACASA-N 1 1 324.381 -1.339 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001024699019 662481579 /nfs/dbraw/zinc/48/15/79/662481579.db2.gz IJIGTCXVIDDEFS-IJLUTSLNSA-N 1 1 310.354 -1.086 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001024685644 662481801 /nfs/dbraw/zinc/48/18/01/662481801.db2.gz KVLFSBVQDKSYAH-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024698777 662482078 /nfs/dbraw/zinc/48/20/78/662482078.db2.gz BQJKKLHTGVXESS-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951075 662482947 /nfs/dbraw/zinc/48/29/47/662482947.db2.gz MWTTZWIDJQOTGS-XYPYZODXSA-N 1 1 318.341 -1.358 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947307338 662483012 /nfs/dbraw/zinc/48/30/12/662483012.db2.gz ZCOKPQAVWUDANE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947307336 662483244 /nfs/dbraw/zinc/48/32/44/662483244.db2.gz ZCOKPQAVWUDANE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)CC1=O ZINC001038313838 662483603 /nfs/dbraw/zinc/48/36/03/662483603.db2.gz YUYZNQUCSPBKGX-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)CC1=O ZINC001038313838 662483608 /nfs/dbraw/zinc/48/36/08/662483608.db2.gz YUYZNQUCSPBKGX-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001024758904 662483812 /nfs/dbraw/zinc/48/38/12/662483812.db2.gz AFOYOOLKNZYLMU-JTQLQIEISA-N 1 1 320.353 -1.006 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CC1=O ZINC001038313725 662483829 /nfs/dbraw/zinc/48/38/29/662483829.db2.gz XVYKOKSVDUIJRJ-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)CC1=O ZINC001038313725 662483831 /nfs/dbraw/zinc/48/38/31/662483831.db2.gz XVYKOKSVDUIJRJ-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CC1=O ZINC001038313722 662483912 /nfs/dbraw/zinc/48/39/12/662483912.db2.gz XVYKOKSVDUIJRJ-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)CC1=O ZINC001038313722 662483914 /nfs/dbraw/zinc/48/39/14/662483914.db2.gz XVYKOKSVDUIJRJ-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972951916 662484422 /nfs/dbraw/zinc/48/44/22/662484422.db2.gz NBBKUPVKJCJYKB-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCCO)nn1 ZINC001024814368 662484860 /nfs/dbraw/zinc/48/48/60/662484860.db2.gz RWRGYJBJZYPPMF-LLVKDONJSA-N 1 1 324.385 -1.270 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024813316 662484896 /nfs/dbraw/zinc/48/48/96/662484896.db2.gz YYIFRGOWCYKPJW-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001024864175 662486546 /nfs/dbraw/zinc/48/65/46/662486546.db2.gz RDMNAKNRHPFNGG-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001024919457 662486900 /nfs/dbraw/zinc/48/69/00/662486900.db2.gz XYBKSGIQAGHSDM-YGFYLSKRSA-N 1 1 309.366 -1.443 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001024932393 662487794 /nfs/dbraw/zinc/48/77/94/662487794.db2.gz XHRVAPPAFHWGSJ-IRCOFANPSA-N 1 1 324.381 -1.953 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000972977744 662488949 /nfs/dbraw/zinc/48/89/49/662488949.db2.gz HFTNAXVLCASPKK-AVGNSLFASA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000972977744 662488950 /nfs/dbraw/zinc/48/89/50/662488950.db2.gz HFTNAXVLCASPKK-AVGNSLFASA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1O ZINC001025015424 662490976 /nfs/dbraw/zinc/49/09/76/662490976.db2.gz ZYSHARBIGCJNAM-IRCOFANPSA-N 1 1 324.381 -1.953 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001025108767 662497461 /nfs/dbraw/zinc/49/74/61/662497461.db2.gz XZQIEEVLKKMORN-GMTAPVOTSA-N 1 1 324.385 -1.308 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001025108767 662497463 /nfs/dbraw/zinc/49/74/63/662497463.db2.gz XZQIEEVLKKMORN-GMTAPVOTSA-N 1 1 324.385 -1.308 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025108805 662497690 /nfs/dbraw/zinc/49/76/90/662497690.db2.gz ZOKDAASCSKHZOR-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025108805 662497695 /nfs/dbraw/zinc/49/76/95/662497695.db2.gz ZOKDAASCSKHZOR-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025108805 662497699 /nfs/dbraw/zinc/49/76/99/662497699.db2.gz ZOKDAASCSKHZOR-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025108805 662497704 /nfs/dbraw/zinc/49/77/04/662497704.db2.gz ZOKDAASCSKHZOR-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025108805 662497707 /nfs/dbraw/zinc/49/77/07/662497707.db2.gz ZOKDAASCSKHZOR-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001025108768 662498190 /nfs/dbraw/zinc/49/81/90/662498190.db2.gz XZQIEEVLKKMORN-MXWKQRLJSA-N 1 1 324.385 -1.308 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001025108768 662498193 /nfs/dbraw/zinc/49/81/93/662498193.db2.gz XZQIEEVLKKMORN-MXWKQRLJSA-N 1 1 324.385 -1.308 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341718 662498896 /nfs/dbraw/zinc/49/88/96/662498896.db2.gz BDASFSUFLNYRHR-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341718 662498897 /nfs/dbraw/zinc/49/88/97/662498897.db2.gz BDASFSUFLNYRHR-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025110864 662499024 /nfs/dbraw/zinc/49/90/24/662499024.db2.gz OMFVGZYIPZVPQL-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110864 662499026 /nfs/dbraw/zinc/49/90/26/662499026.db2.gz OMFVGZYIPZVPQL-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110864 662499028 /nfs/dbraw/zinc/49/90/28/662499028.db2.gz OMFVGZYIPZVPQL-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110864 662499030 /nfs/dbraw/zinc/49/90/30/662499030.db2.gz OMFVGZYIPZVPQL-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110864 662499031 /nfs/dbraw/zinc/49/90/31/662499031.db2.gz OMFVGZYIPZVPQL-IVZWLZJFSA-N 1 1 308.342 -1.942 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007347782 662499521 /nfs/dbraw/zinc/49/95/21/662499521.db2.gz BIMFXGKZCRCFJR-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007347782 662499523 /nfs/dbraw/zinc/49/95/23/662499523.db2.gz BIMFXGKZCRCFJR-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001007346623 662499666 /nfs/dbraw/zinc/49/96/66/662499666.db2.gz WXJBTJKPCVSICY-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001007346623 662499671 /nfs/dbraw/zinc/49/96/71/662499671.db2.gz WXJBTJKPCVSICY-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348838 662499818 /nfs/dbraw/zinc/49/98/18/662499818.db2.gz JHFQNZRKFOJDSG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348838 662499823 /nfs/dbraw/zinc/49/98/23/662499823.db2.gz JHFQNZRKFOJDSG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007351617 662499897 /nfs/dbraw/zinc/49/98/97/662499897.db2.gz WFBKVMJOGDWUIS-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947310060 662500173 /nfs/dbraw/zinc/50/01/73/662500173.db2.gz KYYQCEVBYJHSIF-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947310059 662500298 /nfs/dbraw/zinc/50/02/98/662500298.db2.gz KYYQCEVBYJHSIF-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cncn1 ZINC001025153535 662502007 /nfs/dbraw/zinc/50/20/07/662502007.db2.gz DLWYGPJHKMRTCO-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973101984 662502377 /nfs/dbraw/zinc/50/23/77/662502377.db2.gz HIFAUPCVFAKPSI-FIQHERPVSA-N 1 1 308.382 -1.020 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973127984 662503062 /nfs/dbraw/zinc/50/30/62/662503062.db2.gz HPJSOWLSHBVPAA-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973127984 662503067 /nfs/dbraw/zinc/50/30/67/662503067.db2.gz HPJSOWLSHBVPAA-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973126778 662503238 /nfs/dbraw/zinc/50/32/38/662503238.db2.gz BQAOSDBTVBIVBE-FIQHERPVSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973126778 662503241 /nfs/dbraw/zinc/50/32/41/662503241.db2.gz BQAOSDBTVBIVBE-FIQHERPVSA-N 1 1 324.381 -1.641 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973124961 662503394 /nfs/dbraw/zinc/50/33/94/662503394.db2.gz AZURZTHNFPROIG-GUBZILKMSA-N 1 1 323.357 -2.082 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973124961 662503395 /nfs/dbraw/zinc/50/33/95/662503395.db2.gz AZURZTHNFPROIG-GUBZILKMSA-N 1 1 323.357 -2.082 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973126365 662503431 /nfs/dbraw/zinc/50/34/31/662503431.db2.gz NIIKFQQXHXNXJF-DCAQKATOSA-N 1 1 322.369 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973126365 662503435 /nfs/dbraw/zinc/50/34/35/662503435.db2.gz NIIKFQQXHXNXJF-DCAQKATOSA-N 1 1 322.369 -1.179 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973124962 662503463 /nfs/dbraw/zinc/50/34/63/662503463.db2.gz AZURZTHNFPROIG-OPRDCNLKSA-N 1 1 323.357 -2.082 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973124962 662503467 /nfs/dbraw/zinc/50/34/67/662503467.db2.gz AZURZTHNFPROIG-OPRDCNLKSA-N 1 1 323.357 -2.082 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504444 662503616 /nfs/dbraw/zinc/50/36/16/662503616.db2.gz JDYAWHLLSHUMKX-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504444 662503619 /nfs/dbraw/zinc/50/36/19/662503619.db2.gz JDYAWHLLSHUMKX-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1)C1CCC1 ZINC001025241684 662505876 /nfs/dbraw/zinc/50/58/76/662505876.db2.gz ZMIFHHLTHIHLND-VXGBXAGGSA-N 1 1 323.353 -1.145 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025244576 662506062 /nfs/dbraw/zinc/50/60/62/662506062.db2.gz HQADPBZSONLQNA-MVWJERBFSA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025243030 662506130 /nfs/dbraw/zinc/50/61/30/662506130.db2.gz SFUBGRMVWALJOE-GRYCIOLGSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnn2)C1 ZINC001025264869 662508007 /nfs/dbraw/zinc/50/80/07/662508007.db2.gz JUKYAZBIJVIBOS-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC001025304453 662508958 /nfs/dbraw/zinc/50/89/58/662508958.db2.gz VMIUFIUYEWDFHS-IJLUTSLNSA-N 1 1 321.381 -1.408 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000973291836 662509779 /nfs/dbraw/zinc/50/97/79/662509779.db2.gz DAZXCXXAIVSHQP-GUBZILKMSA-N 1 1 307.358 -1.461 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973295627 662509918 /nfs/dbraw/zinc/50/99/18/662509918.db2.gz MKEGSOCHBODQIH-XYPYZODXSA-N 1 1 318.341 -1.358 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973295790 662510009 /nfs/dbraw/zinc/51/00/09/662510009.db2.gz PSEJQCCAGIAIDR-DDHJBXDOSA-N 1 1 308.382 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973291728 662510082 /nfs/dbraw/zinc/51/00/82/662510082.db2.gz BQYRLLJSHINTHX-DBIOUOCHSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973307364 662510865 /nfs/dbraw/zinc/51/08/65/662510865.db2.gz APRJPFPZGGMTPX-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000973354745 662511541 /nfs/dbraw/zinc/51/15/41/662511541.db2.gz DWDDFEWLWQXCPU-GWOFURMSSA-N 1 1 310.354 -1.902 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)no1 ZINC000973426558 662512812 /nfs/dbraw/zinc/51/28/12/662512812.db2.gz ZKMAUYWUHTUAAN-ZKCHVHJHSA-N 1 1 309.326 -1.402 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1O ZINC001025383860 662517095 /nfs/dbraw/zinc/51/70/95/662517095.db2.gz UZOCGCSIQALGEF-OPRDCNLKSA-N 1 1 321.337 -2.066 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025386617 662517561 /nfs/dbraw/zinc/51/75/61/662517561.db2.gz IVBDYGCGZKYVPO-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025386617 662517563 /nfs/dbraw/zinc/51/75/63/662517563.db2.gz IVBDYGCGZKYVPO-BBBLOLIVSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025387901 662517607 /nfs/dbraw/zinc/51/76/07/662517607.db2.gz VEOOLVJDLKKNSA-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025388086 662517801 /nfs/dbraw/zinc/51/78/01/662517801.db2.gz ZXCIYSMRPNDQTI-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973510407 662519455 /nfs/dbraw/zinc/51/94/55/662519455.db2.gz WVNMNWHMQXJABK-NAKRPEOUSA-N 1 1 321.385 -1.215 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973520278 662519870 /nfs/dbraw/zinc/51/98/70/662519870.db2.gz HPKKOWWXJQXNFS-DCAQKATOSA-N 1 1 312.370 -1.656 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973520278 662519871 /nfs/dbraw/zinc/51/98/71/662519871.db2.gz HPKKOWWXJQXNFS-DCAQKATOSA-N 1 1 312.370 -1.656 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001025685850 662525368 /nfs/dbraw/zinc/52/53/68/662525368.db2.gz WWDRLQNKEWEVIJ-HBNTYKKESA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001025685876 662525466 /nfs/dbraw/zinc/52/54/66/662525466.db2.gz XQLFMTNFNCSLSI-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001025685876 662525467 /nfs/dbraw/zinc/52/54/67/662525467.db2.gz XQLFMTNFNCSLSI-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686057 662525556 /nfs/dbraw/zinc/52/55/56/662525556.db2.gz HTKZBCVAGRUHPH-OQEOFVATSA-N 1 1 323.349 -1.747 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686058 662525700 /nfs/dbraw/zinc/52/57/00/662525700.db2.gz HTKZBCVAGRUHPH-TUTUZKQUSA-N 1 1 323.349 -1.747 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686080 662525763 /nfs/dbraw/zinc/52/57/63/662525763.db2.gz JYWJYCICWOHFND-FPYNETTCSA-N 1 1 309.366 -1.273 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001025686715 662526017 /nfs/dbraw/zinc/52/60/17/662526017.db2.gz IHRRRWRZWULHOT-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001025686715 662526018 /nfs/dbraw/zinc/52/60/18/662526018.db2.gz IHRRRWRZWULHOT-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCO2)C1=O ZINC001025688077 662526267 /nfs/dbraw/zinc/52/62/67/662526267.db2.gz UGCIQRAOOCUIQH-OBPIAQAESA-N 1 1 309.366 -1.321 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719885 662527232 /nfs/dbraw/zinc/52/72/32/662527232.db2.gz WNSGQEIIUDMJBP-PDWCTOEPSA-N 1 1 324.425 -1.160 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719344 662527391 /nfs/dbraw/zinc/52/73/91/662527391.db2.gz JQZIUNJOALDXAX-BJJPWKGXSA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001025719810 662527656 /nfs/dbraw/zinc/52/76/56/662527656.db2.gz DMCWSQJJFWTPMB-ITGHMWBKSA-N 1 1 322.409 -1.406 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025709073 662527767 /nfs/dbraw/zinc/52/77/67/662527767.db2.gz JFUZEZHNCBCWDA-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719314 662527946 /nfs/dbraw/zinc/52/79/46/662527946.db2.gz HDMNZUUKWRDAEI-FHUSYTEZSA-N 1 1 308.382 -1.748 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001025708831 662527978 /nfs/dbraw/zinc/52/79/78/662527978.db2.gz CZRZDFFCQZSFCN-HMUNZLOLSA-N 1 1 308.382 -1.212 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025709148 662527991 /nfs/dbraw/zinc/52/79/91/662527991.db2.gz XODVNAUYMDZIAS-OQEOFVATSA-N 1 1 306.366 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719887 662528018 /nfs/dbraw/zinc/52/80/18/662528018.db2.gz WPWIFPJEPGKOLR-FHUSYTEZSA-N 1 1 310.398 -1.373 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001025735225 662528597 /nfs/dbraw/zinc/52/85/97/662528597.db2.gz LYOJNSSPYMSNTF-XPORZQOISA-N 1 1 306.366 -1.553 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001025735282 662528884 /nfs/dbraw/zinc/52/88/84/662528884.db2.gz NSEZNGHJVXRLFY-OQEOFVATSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001025735285 662529028 /nfs/dbraw/zinc/52/90/28/662529028.db2.gz NSEZNGHJVXRLFY-VLLVSFFDSA-N 1 1 308.382 -1.307 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001025740885 662529120 /nfs/dbraw/zinc/52/91/20/662529120.db2.gz IOFWPUSHHVWJBS-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)C1 ZINC001025740885 662529124 /nfs/dbraw/zinc/52/91/24/662529124.db2.gz IOFWPUSHHVWJBS-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)C1 ZINC001025740885 662529129 /nfs/dbraw/zinc/52/91/29/662529129.db2.gz IOFWPUSHHVWJBS-GMTAPVOTSA-N 1 1 322.369 -2.013 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001025735344 662529214 /nfs/dbraw/zinc/52/92/14/662529214.db2.gz UGJAOBNFHGFBGT-HMUNZLOLSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001025735161 662529228 /nfs/dbraw/zinc/52/92/28/662529228.db2.gz IWRRBVFDVGOMSV-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025747115 662529641 /nfs/dbraw/zinc/52/96/41/662529641.db2.gz HATDNWPUPRRWCD-ZUWCUPBKSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025746802 662529696 /nfs/dbraw/zinc/52/96/96/662529696.db2.gz MRQQBROCECORNQ-PDWCTOEPSA-N 1 1 324.425 -1.160 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)n1cncn1 ZINC001025745694 662529699 /nfs/dbraw/zinc/52/96/99/662529699.db2.gz HSIGOMVCYZIWEJ-ZIQFBCGOSA-N 1 1 304.354 -1.226 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025746765 662530138 /nfs/dbraw/zinc/53/01/38/662530138.db2.gz DSKVQZFSLQNHBS-OBPIAQAESA-N 1 1 310.398 -1.373 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001025739326 662530280 /nfs/dbraw/zinc/53/02/80/662530280.db2.gz VXDMCMKKVIEEHU-GMTAPVOTSA-N 1 1 324.385 -1.625 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025747421 662530357 /nfs/dbraw/zinc/53/03/57/662530357.db2.gz LCHDBQCNAUZMFI-IEECTRCBSA-N 1 1 310.398 -1.502 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025747428 662530518 /nfs/dbraw/zinc/53/05/18/662530518.db2.gz LUEXEFDUPLFYIR-FHUSYTEZSA-N 1 1 308.382 -1.748 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025747423 662530708 /nfs/dbraw/zinc/53/07/08/662530708.db2.gz LCHDBQCNAUZMFI-LBELIVKGSA-N 1 1 310.398 -1.502 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001025763964 662531255 /nfs/dbraw/zinc/53/12/55/662531255.db2.gz JPDPOCSUHOJYND-UVOCVTCTSA-N 1 1 310.354 -1.382 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025763967 662531386 /nfs/dbraw/zinc/53/13/86/662531386.db2.gz JULCWSOTBYIUMC-LVEVGFFFSA-N 1 1 322.365 -1.238 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025763810 662531417 /nfs/dbraw/zinc/53/14/17/662531417.db2.gz ACDQEORRZQURPT-OGBGREFGSA-N 1 1 308.338 -1.580 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccnnc3)C2)C1 ZINC001025785278 662531659 /nfs/dbraw/zinc/53/16/59/662531659.db2.gz KDIDTPSBPBNYMV-JHJVBQTASA-N 1 1 319.365 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001025789581 662531764 /nfs/dbraw/zinc/53/17/64/662531764.db2.gz PEJOGBSQZYDGEM-SPTZMNNTSA-N 1 1 308.382 -1.179 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001025789581 662531767 /nfs/dbraw/zinc/53/17/67/662531767.db2.gz PEJOGBSQZYDGEM-SPTZMNNTSA-N 1 1 308.382 -1.179 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001025789580 662531950 /nfs/dbraw/zinc/53/19/50/662531950.db2.gz PEJOGBSQZYDGEM-DMMVZYGJSA-N 1 1 308.382 -1.179 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001025789580 662531951 /nfs/dbraw/zinc/53/19/51/662531951.db2.gz PEJOGBSQZYDGEM-DMMVZYGJSA-N 1 1 308.382 -1.179 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001025808256 662532215 /nfs/dbraw/zinc/53/22/15/662532215.db2.gz HQNAMTNARZOBLS-YBRCUDMCSA-N 1 1 309.366 -1.049 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808406 662532231 /nfs/dbraw/zinc/53/22/31/662532231.db2.gz OCVVGTYFSBQVDF-HKLXJQGRSA-N 1 1 308.382 -1.354 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001025804386 662532347 /nfs/dbraw/zinc/53/23/47/662532347.db2.gz BYDDXPGMWYJGPK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001025804386 662532349 /nfs/dbraw/zinc/53/23/49/662532349.db2.gz BYDDXPGMWYJGPK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnc[nH]3)C2)C1 ZINC001025804386 662532353 /nfs/dbraw/zinc/53/23/53/662532353.db2.gz BYDDXPGMWYJGPK-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797903 662532480 /nfs/dbraw/zinc/53/24/80/662532480.db2.gz ZOAHDWQPYSGVOU-VVSAWPALSA-N 1 1 322.409 -1.358 20 0 DAADMO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797901 662532853 /nfs/dbraw/zinc/53/28/53/662532853.db2.gz ZOAHDWQPYSGVOU-RLPMIEJPSA-N 1 1 322.409 -1.358 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808409 662532972 /nfs/dbraw/zinc/53/29/72/662532972.db2.gz OCVVGTYFSBQVDF-YFVNTRNASA-N 1 1 308.382 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808296 662533041 /nfs/dbraw/zinc/53/30/41/662533041.db2.gz KWBPUYVCQRUELL-SVPLCASGSA-N 1 1 322.409 -1.012 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815247 662533183 /nfs/dbraw/zinc/53/31/83/662533183.db2.gz MVQYNNCKQDPJIX-PREPNJAASA-N 1 1 306.366 -1.553 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808465 662533192 /nfs/dbraw/zinc/53/31/92/662533192.db2.gz UDXRHGDYZONASE-XPORZQOISA-N 1 1 308.382 -1.225 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001025815362 662533512 /nfs/dbraw/zinc/53/35/12/662533512.db2.gz FABIBLUAASFGMG-RNWYCLNJSA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025812160 662533615 /nfs/dbraw/zinc/53/36/15/662533615.db2.gz PBCPYKTVWNZPQQ-YCGPCKTQSA-N 1 1 320.393 -1.162 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808577 662533674 /nfs/dbraw/zinc/53/36/74/662533674.db2.gz DKDORAMTRAEAPF-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001025815360 662533684 /nfs/dbraw/zinc/53/36/84/662533684.db2.gz FABIBLUAASFGMG-KKJSVHSVSA-N 1 1 308.382 -1.307 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808641 662533688 /nfs/dbraw/zinc/53/36/88/662533688.db2.gz HUTLLCGQHJZWKR-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1=O ZINC001025808641 662533690 /nfs/dbraw/zinc/53/36/90/662533690.db2.gz HUTLLCGQHJZWKR-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000314238995 662533728 /nfs/dbraw/zinc/53/37/28/662533728.db2.gz XCKWPLHGONRSRW-UPJWGTAASA-N 1 1 319.427 -1.243 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001025812351 662533781 /nfs/dbraw/zinc/53/37/81/662533781.db2.gz BKGPMUPXYBBQJP-ZTVLKNOQSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025811925 662533820 /nfs/dbraw/zinc/53/38/20/662533820.db2.gz PSDHFVIXQVLXSY-KLFGWDPYSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808536 662533958 /nfs/dbraw/zinc/53/39/58/662533958.db2.gz ZKFJYICDJMUWRF-TURJHENQSA-N 1 1 322.365 -1.556 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808536 662533961 /nfs/dbraw/zinc/53/39/61/662533961.db2.gz ZKFJYICDJMUWRF-TURJHENQSA-N 1 1 322.365 -1.556 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001025815363 662533988 /nfs/dbraw/zinc/53/39/88/662533988.db2.gz FEXOPANHDHVCRM-GCHJQGSQSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025820650 662534092 /nfs/dbraw/zinc/53/40/92/662534092.db2.gz BBEGWILOGISYKY-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001025842740 662534125 /nfs/dbraw/zinc/53/41/25/662534125.db2.gz UOJAYFKFRQSGDL-RGDJUOJXSA-N 1 1 324.425 -1.112 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001025818989 662534160 /nfs/dbraw/zinc/53/41/60/662534160.db2.gz JGMUGISVRVAECM-HGBDMZGYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001025818989 662534164 /nfs/dbraw/zinc/53/41/64/662534164.db2.gz JGMUGISVRVAECM-HGBDMZGYSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC001025816455 662534187 /nfs/dbraw/zinc/53/41/87/662534187.db2.gz SOABRYVRIAKUMM-MOWSAHLDSA-N 1 1 320.393 -1.020 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025842743 662534345 /nfs/dbraw/zinc/53/43/45/662534345.db2.gz URFNVGMSQKBWRT-MEBFFEOJSA-N 1 1 322.409 -1.358 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC001025814532 662534364 /nfs/dbraw/zinc/53/43/64/662534364.db2.gz ZPBSYWUNFVZYMW-NFXCPBFJSA-N 1 1 311.382 -1.029 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025815779 662534391 /nfs/dbraw/zinc/53/43/91/662534391.db2.gz YOMBAXTXSUCCNR-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001025815804 662534558 /nfs/dbraw/zinc/53/45/58/662534558.db2.gz BRAUNKRDCUBXIF-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001025820735 662534613 /nfs/dbraw/zinc/53/46/13/662534613.db2.gz LYFAQMAXQIPAJJ-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001025820735 662534614 /nfs/dbraw/zinc/53/46/14/662534614.db2.gz LYFAQMAXQIPAJJ-VLLVSFFDSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001025818991 662534648 /nfs/dbraw/zinc/53/46/48/662534648.db2.gz JGMUGISVRVAECM-ZNXLTMBDSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001025818991 662534653 /nfs/dbraw/zinc/53/46/53/662534653.db2.gz JGMUGISVRVAECM-ZNXLTMBDSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001025815821 662534797 /nfs/dbraw/zinc/53/47/97/662534797.db2.gz GICBEFNGIRBMDM-TUTUZKQUSA-N 1 1 308.382 -1.035 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025842742 662534845 /nfs/dbraw/zinc/53/48/45/662534845.db2.gz URFNVGMSQKBWRT-ITGHMWBKSA-N 1 1 322.409 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C(N)=O)CC1 ZINC001025848908 662534996 /nfs/dbraw/zinc/53/49/96/662534996.db2.gz MZNIJBQUDXTETD-DZZVYXNESA-N 1 1 308.382 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C(N)=O)CC1 ZINC001025848908 662534999 /nfs/dbraw/zinc/53/49/99/662534999.db2.gz MZNIJBQUDXTETD-DZZVYXNESA-N 1 1 308.382 -1.190 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC001025849140 662535128 /nfs/dbraw/zinc/53/51/28/662535128.db2.gz OFIYQUUHXLOZBR-YCGPCKTQSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001025873070 662535224 /nfs/dbraw/zinc/53/52/24/662535224.db2.gz XKFRBJRCMFAXPZ-JCIQBVFBSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001025873070 662535225 /nfs/dbraw/zinc/53/52/25/662535225.db2.gz XKFRBJRCMFAXPZ-JCIQBVFBSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001025873969 662535380 /nfs/dbraw/zinc/53/53/80/662535380.db2.gz YEUCINZKVRICOX-LVEVGFFFSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001025873969 662535385 /nfs/dbraw/zinc/53/53/85/662535385.db2.gz YEUCINZKVRICOX-LVEVGFFFSA-N 1 1 323.397 -1.303 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025880883 662535489 /nfs/dbraw/zinc/53/54/89/662535489.db2.gz BSLFLGPNZJRBFO-QKZHPOIUSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1)c1nnnn1C ZINC001019998698 662537464 /nfs/dbraw/zinc/53/74/64/662537464.db2.gz RKVKNICFLNTRMM-XWLWVQCSSA-N 1 1 310.358 -1.077 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001020210201 662537796 /nfs/dbraw/zinc/53/77/96/662537796.db2.gz YPPBPEGOWFGFCM-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001020232187 662537922 /nfs/dbraw/zinc/53/79/22/662537922.db2.gz MTDNMGPOGNHGQC-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001020210202 662537970 /nfs/dbraw/zinc/53/79/70/662537970.db2.gz YPPBPEGOWFGFCM-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922414 662538956 /nfs/dbraw/zinc/53/89/56/662538956.db2.gz RYRUXDZHCPKFOA-UZSKJHCISA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001025921703 662538985 /nfs/dbraw/zinc/53/89/85/662538985.db2.gz CIYVWYQDYLOVTE-IWAHSAMASA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001025922603 662539013 /nfs/dbraw/zinc/53/90/13/662539013.db2.gz WDQSGMPNQCNZGK-HGBDMZGYSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001025921704 662539146 /nfs/dbraw/zinc/53/91/46/662539146.db2.gz CIYVWYQDYLOVTE-RMERFRFWSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958869 662540117 /nfs/dbraw/zinc/54/01/17/662540117.db2.gz ILRQRJGCEMQLSJ-LVEVGFFFSA-N 1 1 308.382 -1.354 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958913 662540135 /nfs/dbraw/zinc/54/01/35/662540135.db2.gz NUAZGPOOTSFBRC-FHUSYTEZSA-N 1 1 322.409 -1.012 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939540 662540153 /nfs/dbraw/zinc/54/01/53/662540153.db2.gz PSQJZCKJKAVOSH-ZIQFBCGOSA-N 1 1 306.366 -1.553 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001025939547 662540180 /nfs/dbraw/zinc/54/01/80/662540180.db2.gz QALBDHYLYDNRMG-RNWYCLNJSA-N 1 1 321.381 -1.713 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943939 662540184 /nfs/dbraw/zinc/54/01/84/662540184.db2.gz RXLYNDFYUDBNOL-HHHUOAJASA-N 1 1 323.397 -1.467 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001025952885 662540221 /nfs/dbraw/zinc/54/02/21/662540221.db2.gz DLEKQJWEGZBMNJ-XPORZQOISA-N 1 1 308.382 -1.212 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025941448 662540225 /nfs/dbraw/zinc/54/02/25/662540225.db2.gz LLWNJVJRUBARSD-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939539 662540265 /nfs/dbraw/zinc/54/02/65/662540265.db2.gz PSQJZCKJKAVOSH-PREPNJAASA-N 1 1 306.366 -1.553 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)NC1=O ZINC001025943856 662540431 /nfs/dbraw/zinc/54/04/31/662540431.db2.gz OYKBQISTYIDTFJ-HPENLJRUSA-N 1 1 307.354 -2.055 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001025941478 662540438 /nfs/dbraw/zinc/54/04/38/662540438.db2.gz QNFXREDKJDOSGF-LVEVGFFFSA-N 1 1 308.382 -1.354 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025945242 662540446 /nfs/dbraw/zinc/54/04/46/662540446.db2.gz RGCROTKBBSFZRA-VLLVSFFDSA-N 1 1 306.366 -1.458 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943585 662540455 /nfs/dbraw/zinc/54/04/55/662540455.db2.gz JHILXBSMVFHQJP-HPENLJRUSA-N 1 1 309.370 -1.680 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958916 662540461 /nfs/dbraw/zinc/54/04/61/662540461.db2.gz NUAZGPOOTSFBRC-OBPIAQAESA-N 1 1 322.409 -1.012 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943941 662540485 /nfs/dbraw/zinc/54/04/85/662540485.db2.gz RXLYNDFYUDBNOL-ZIQFBCGOSA-N 1 1 323.397 -1.467 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)NC1=O ZINC001025943867 662540507 /nfs/dbraw/zinc/54/05/07/662540507.db2.gz OYKBQISTYIDTFJ-XXFSISAASA-N 1 1 307.354 -2.055 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001025970174 662540697 /nfs/dbraw/zinc/54/06/97/662540697.db2.gz QYSCQBPGYFPJFJ-VLLVSFFDSA-N 1 1 308.382 -1.083 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025967880 662540721 /nfs/dbraw/zinc/54/07/21/662540721.db2.gz YDPJRPLLEYJNOS-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025967864 662540723 /nfs/dbraw/zinc/54/07/23/662540723.db2.gz RGCROTKBBSFZRA-OQEOFVATSA-N 1 1 306.366 -1.458 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001025993797 662540756 /nfs/dbraw/zinc/54/07/56/662540756.db2.gz AAADRKAZAVURMF-KLIJAQQISA-N 1 1 321.381 -1.619 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994171 662540767 /nfs/dbraw/zinc/54/07/67/662540767.db2.gz JGFXCPDRTZZJKR-ROHXPCBUSA-N 1 1 321.381 -1.665 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@H](C)O1 ZINC001025998508 662540783 /nfs/dbraw/zinc/54/07/83/662540783.db2.gz ADACCSHZUDQHCH-HKLXJQGRSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@H](C)O1 ZINC001025998508 662540786 /nfs/dbraw/zinc/54/07/86/662540786.db2.gz ADACCSHZUDQHCH-HKLXJQGRSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001025965065 662540862 /nfs/dbraw/zinc/54/08/62/662540862.db2.gz PTGDKTOHVHBJMN-BCLHGEQCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001025965065 662540864 /nfs/dbraw/zinc/54/08/64/662540864.db2.gz PTGDKTOHVHBJMN-BCLHGEQCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001025994232 662540962 /nfs/dbraw/zinc/54/09/62/662540962.db2.gz KJEDJLYSALPGHE-NZFPMDFQSA-N 1 1 309.370 -1.809 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994611 662540976 /nfs/dbraw/zinc/54/09/76/662540976.db2.gz WENPGWRDJLQJTR-OGBGREFGSA-N 1 1 307.354 -2.055 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994612 662541087 /nfs/dbraw/zinc/54/10/87/662541087.db2.gz WENPGWRDJLQJTR-QGKZMRNZSA-N 1 1 307.354 -2.055 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001025994234 662541147 /nfs/dbraw/zinc/54/11/47/662541147.db2.gz KJEDJLYSALPGHE-UVOCVTCTSA-N 1 1 309.370 -1.809 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001026036169 662541158 /nfs/dbraw/zinc/54/11/58/662541158.db2.gz FCSRPZAIWCMRBW-YFJMAAFGSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994613 662541198 /nfs/dbraw/zinc/54/11/98/662541198.db2.gz WENPGWRDJLQJTR-XXFSISAASA-N 1 1 307.354 -2.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026048409 662541423 /nfs/dbraw/zinc/54/14/23/662541423.db2.gz ZODOCBMNQULBQF-ISFYIQIJSA-N 1 1 322.409 -1.108 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001026050149 662541507 /nfs/dbraw/zinc/54/15/07/662541507.db2.gz YFLBLHHVJZGIBD-TUDBJHLUSA-N 1 1 320.393 -1.179 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026037479 662541518 /nfs/dbraw/zinc/54/15/18/662541518.db2.gz WJPDLTGPVYCCDU-ZBJKAAEASA-N 1 1 310.354 -2.061 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026037479 662541519 /nfs/dbraw/zinc/54/15/19/662541519.db2.gz WJPDLTGPVYCCDU-ZBJKAAEASA-N 1 1 310.354 -2.061 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001026039131 662541594 /nfs/dbraw/zinc/54/15/94/662541594.db2.gz UQIHCTPKPOQYPJ-KTWSDMTRSA-N 1 1 322.365 -2.046 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC001026044206 662541598 /nfs/dbraw/zinc/54/15/98/662541598.db2.gz LSUDWBKTCZQNIJ-MOWSAHLDSA-N 1 1 319.413 -1.046 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077561 662541746 /nfs/dbraw/zinc/54/17/46/662541746.db2.gz AWKXPDJXJZTEGQ-XPORZQOISA-N 1 1 322.365 -1.333 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077961 662541828 /nfs/dbraw/zinc/54/18/28/662541828.db2.gz OMIPDKBSZUTURU-XAVNFNALSA-N 1 1 309.326 -2.495 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077961 662541830 /nfs/dbraw/zinc/54/18/30/662541830.db2.gz OMIPDKBSZUTURU-XAVNFNALSA-N 1 1 309.326 -2.495 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143345 662541965 /nfs/dbraw/zinc/54/19/65/662541965.db2.gz WQWWZEAXBNGLIB-XTAFZBPGSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143345 662541967 /nfs/dbraw/zinc/54/19/67/662541967.db2.gz WQWWZEAXBNGLIB-XTAFZBPGSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001026139768 662542344 /nfs/dbraw/zinc/54/23/44/662542344.db2.gz QLMZYRGAZWJURX-TURJHENQSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001026139768 662542346 /nfs/dbraw/zinc/54/23/46/662542346.db2.gz QLMZYRGAZWJURX-TURJHENQSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001026101209 662542368 /nfs/dbraw/zinc/54/23/68/662542368.db2.gz CNKICSJIVZUDHO-PREPNJAASA-N 1 1 317.411 -1.553 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141798 662542682 /nfs/dbraw/zinc/54/26/82/662542682.db2.gz XODVNAUYMDZIAS-VLLVSFFDSA-N 1 1 306.366 -1.410 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143928 662542751 /nfs/dbraw/zinc/54/27/51/662542751.db2.gz MWXXAIKIBXFOQU-ZMHPAJMFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143928 662542753 /nfs/dbraw/zinc/54/27/53/662542753.db2.gz MWXXAIKIBXFOQU-ZMHPAJMFSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O ZINC001026147611 662542774 /nfs/dbraw/zinc/54/27/74/662542774.db2.gz CRXUOHITQHUVBU-HHHUOAJASA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O ZINC001026147611 662542776 /nfs/dbraw/zinc/54/27/76/662542776.db2.gz CRXUOHITQHUVBU-HHHUOAJASA-N 1 1 302.396 -1.009 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)C1 ZINC001026143946 662542798 /nfs/dbraw/zinc/54/27/98/662542798.db2.gz VYTSLIDATHRRSF-CYDRSHDDSA-N 1 1 311.382 -1.339 20 0 DAADMO OC[C@H](O)CN1CCCC2(CCC[N@@H+](C[C@@H](O)CO)C2)C1 ZINC000930511930 662542814 /nfs/dbraw/zinc/54/28/14/662542814.db2.gz PTPXSPMVGUNDLZ-GRKKQISMSA-N 1 1 302.415 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146739 662542858 /nfs/dbraw/zinc/54/28/58/662542858.db2.gz FOASBQXUBVIGDS-SPFKKGSWSA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146739 662542859 /nfs/dbraw/zinc/54/28/59/662542859.db2.gz FOASBQXUBVIGDS-SPFKKGSWSA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146738 662543247 /nfs/dbraw/zinc/54/32/47/662543247.db2.gz FOASBQXUBVIGDS-GENCIFFESA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146738 662543248 /nfs/dbraw/zinc/54/32/48/662543248.db2.gz FOASBQXUBVIGDS-GENCIFFESA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153760 662543485 /nfs/dbraw/zinc/54/34/85/662543485.db2.gz IPHPLDQNPUVKTK-UVOCVTCTSA-N 1 1 309.370 -1.550 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153760 662543488 /nfs/dbraw/zinc/54/34/88/662543488.db2.gz IPHPLDQNPUVKTK-UVOCVTCTSA-N 1 1 309.370 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154761 662543563 /nfs/dbraw/zinc/54/35/63/662543563.db2.gz PNNKEXGUKGSQAJ-PXSXMVNOSA-N 1 1 322.365 -1.780 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154766 662543609 /nfs/dbraw/zinc/54/36/09/662543609.db2.gz PPBPOITWSQVBTN-YOESCMDLSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154766 662543611 /nfs/dbraw/zinc/54/36/11/662543611.db2.gz PPBPOITWSQVBTN-YOESCMDLSA-N 1 1 308.338 -2.041 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154814 662543615 /nfs/dbraw/zinc/54/36/15/662543615.db2.gz UDSGWQKUNLZGFB-YANYRWCTSA-N 1 1 322.365 -1.651 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973857560 662544190 /nfs/dbraw/zinc/54/41/90/662544190.db2.gz ODLNENADUYWJNC-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973866477 662544519 /nfs/dbraw/zinc/54/45/19/662544519.db2.gz VMYVILOAKUKGMZ-WYUUTHIRSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973960103 662546203 /nfs/dbraw/zinc/54/62/03/662546203.db2.gz UHNWYWRNWNMWEK-YTWAJWBKSA-N 1 1 309.370 -1.475 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000973960573 662546397 /nfs/dbraw/zinc/54/63/97/662546397.db2.gz WVPWRJUHRGXZKP-OUAUKWLOSA-N 1 1 307.358 -1.469 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000973967572 662546719 /nfs/dbraw/zinc/54/67/19/662546719.db2.gz VBADJCSIYWHGDH-AEJSXWLSSA-N 1 1 307.358 -1.319 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000973999307 662547205 /nfs/dbraw/zinc/54/72/05/662547205.db2.gz MTOLIZSJKPIHCT-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000973999307 662547209 /nfs/dbraw/zinc/54/72/09/662547209.db2.gz MTOLIZSJKPIHCT-JFGNBEQYSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973998838 662547215 /nfs/dbraw/zinc/54/72/15/662547215.db2.gz LDMVLDBLVBZXHA-GRYCIOLGSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973998838 662547218 /nfs/dbraw/zinc/54/72/18/662547218.db2.gz LDMVLDBLVBZXHA-GRYCIOLGSA-N 1 1 322.369 -1.628 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)n1 ZINC001026303158 662547299 /nfs/dbraw/zinc/54/72/99/662547299.db2.gz RXOCVMFXHODAML-IVZWLZJFSA-N 1 1 317.357 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973990439 662547402 /nfs/dbraw/zinc/54/74/02/662547402.db2.gz BVWWWUPJXVBLAT-CSYMLDBXSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973990439 662547404 /nfs/dbraw/zinc/54/74/04/662547404.db2.gz BVWWWUPJXVBLAT-CSYMLDBXSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000974150736 662551633 /nfs/dbraw/zinc/55/16/33/662551633.db2.gz PSEJQCCAGIAIDR-WYUUTHIRSA-N 1 1 308.382 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974145560 662551791 /nfs/dbraw/zinc/55/17/91/662551791.db2.gz BQYRLLJSHINTHX-CHWFTXMASA-N 1 1 309.370 -1.617 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000974150653 662551985 /nfs/dbraw/zinc/55/19/85/662551985.db2.gz NFPKLROXSFUNAF-WYUUTHIRSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974161559 662552585 /nfs/dbraw/zinc/55/25/85/662552585.db2.gz APRJPFPZGGMTPX-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176392 662553528 /nfs/dbraw/zinc/55/35/28/662553528.db2.gz MQLYIAHGVWTBLV-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176392 662553530 /nfs/dbraw/zinc/55/35/30/662553530.db2.gz MQLYIAHGVWTBLV-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000974212009 662554118 /nfs/dbraw/zinc/55/41/18/662554118.db2.gz DWDDFEWLWQXCPU-LMLFDSFASA-N 1 1 310.354 -1.902 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000974212012 662554210 /nfs/dbraw/zinc/55/42/10/662554210.db2.gz DWDDFEWLWQXCPU-ZRUFSTJUSA-N 1 1 310.354 -1.902 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC000947678813 662555922 /nfs/dbraw/zinc/55/59/22/662555922.db2.gz AGLMJOWRYZEAHB-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947310292 662556034 /nfs/dbraw/zinc/55/60/34/662556034.db2.gz OVPGPSKVXDYHMQ-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cnnn1C ZINC000947310292 662556035 /nfs/dbraw/zinc/55/60/35/662556035.db2.gz OVPGPSKVXDYHMQ-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947310321 662556313 /nfs/dbraw/zinc/55/63/13/662556313.db2.gz PFTUDDFLCABQKH-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947310293 662556361 /nfs/dbraw/zinc/55/63/61/662556361.db2.gz OVPGPSKVXDYHMQ-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cnnn1C ZINC000947310293 662556366 /nfs/dbraw/zinc/55/63/66/662556366.db2.gz OVPGPSKVXDYHMQ-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000949938703 662556883 /nfs/dbraw/zinc/55/68/83/662556883.db2.gz MMOHUJQOUSOPQI-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974327017 662558224 /nfs/dbraw/zinc/55/82/24/662558224.db2.gz JIFMFUXPALTPEE-NNYUYHANSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000949946809 662558258 /nfs/dbraw/zinc/55/82/58/662558258.db2.gz RAENBRURGSOVBT-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377699 662559689 /nfs/dbraw/zinc/55/96/89/662559689.db2.gz VGEDNGVQQRJKIA-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377699 662559692 /nfs/dbraw/zinc/55/96/92/662559692.db2.gz VGEDNGVQQRJKIA-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)c3nnn(C)n3)CC2)n1 ZINC001026544085 662560701 /nfs/dbraw/zinc/56/07/01/662560701.db2.gz PBKYNMGUACXDCN-UHFFFAOYSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 ZINC001026672818 662561224 /nfs/dbraw/zinc/56/12/24/662561224.db2.gz SHDYIUGFWYXRLD-NSHDSACASA-N 1 1 321.385 -1.229 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001026698719 662561786 /nfs/dbraw/zinc/56/17/86/662561786.db2.gz NSPYYPQUBIEBTD-GHMZBOCLSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001026665009 662561792 /nfs/dbraw/zinc/56/17/92/662561792.db2.gz HFIJVXZHTAJGLC-SECBINFHSA-N 1 1 318.341 -1.042 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)CC(N)=O)C2)n1 ZINC001026741920 662562133 /nfs/dbraw/zinc/56/21/33/662562133.db2.gz QYRNOMKZIGLZFS-SECBINFHSA-N 1 1 310.358 -1.051 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)C(C)(C)C1 ZINC000974484874 662562650 /nfs/dbraw/zinc/56/26/50/662562650.db2.gz OBVULINVQKRSSW-VXGBXAGGSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)C(C)(C)C1 ZINC000974484874 662562653 /nfs/dbraw/zinc/56/26/53/662562653.db2.gz OBVULINVQKRSSW-VXGBXAGGSA-N 1 1 312.414 -1.110 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001026749433 662562674 /nfs/dbraw/zinc/56/26/74/662562674.db2.gz IHLHUVDOHDVCCV-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001026762993 662562737 /nfs/dbraw/zinc/56/27/37/662562737.db2.gz MAYXABGOBPENPE-JTQLQIEISA-N 1 1 319.373 -1.101 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473189 662562765 /nfs/dbraw/zinc/56/27/65/662562765.db2.gz SCTLCMFKVKXESQ-BDAKNGLRSA-N 1 1 310.358 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473189 662562767 /nfs/dbraw/zinc/56/27/67/662562767.db2.gz SCTLCMFKVKXESQ-BDAKNGLRSA-N 1 1 310.358 -1.316 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC001026776782 662562784 /nfs/dbraw/zinc/56/27/84/662562784.db2.gz ORZPLQGEBSKYHW-MNOVXSKESA-N 1 1 321.385 -1.326 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473190 662562812 /nfs/dbraw/zinc/56/28/12/662562812.db2.gz SCTLCMFKVKXESQ-DTWKUNHWSA-N 1 1 310.358 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473190 662562813 /nfs/dbraw/zinc/56/28/13/662562813.db2.gz SCTLCMFKVKXESQ-DTWKUNHWSA-N 1 1 310.358 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473600 662562822 /nfs/dbraw/zinc/56/28/22/662562822.db2.gz TXYDGAQZQRKBHS-SNVBAGLBSA-N 1 1 324.385 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473600 662562826 /nfs/dbraw/zinc/56/28/26/662562826.db2.gz TXYDGAQZQRKBHS-SNVBAGLBSA-N 1 1 324.385 -1.102 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974471311 662562878 /nfs/dbraw/zinc/56/28/78/662562878.db2.gz GEJUSCONFGCNJS-UWVGGRQHSA-N 1 1 322.369 -1.301 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974471311 662562880 /nfs/dbraw/zinc/56/28/80/662562880.db2.gz GEJUSCONFGCNJS-UWVGGRQHSA-N 1 1 322.369 -1.301 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472474 662562905 /nfs/dbraw/zinc/56/29/05/662562905.db2.gz NCEVATVFWBZWBE-NXEZZACHSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472474 662562907 /nfs/dbraw/zinc/56/29/07/662562907.db2.gz NCEVATVFWBZWBE-NXEZZACHSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)n1 ZINC001026792161 662563413 /nfs/dbraw/zinc/56/34/13/662563413.db2.gz RLBJMQHZUWUUCO-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001026819165 662564045 /nfs/dbraw/zinc/56/40/45/662564045.db2.gz NWYHPHPCKZJHSI-BDAKNGLRSA-N 1 1 309.330 -1.743 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)[nH]1 ZINC001026834306 662564215 /nfs/dbraw/zinc/56/42/15/662564215.db2.gz WEXSZQBTUBICEA-SNVBAGLBSA-N 1 1 319.373 -1.183 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001026825815 662564436 /nfs/dbraw/zinc/56/44/36/662564436.db2.gz QTXFIWSEDINTSD-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001026825814 662564584 /nfs/dbraw/zinc/56/45/84/662564584.db2.gz QTXFIWSEDINTSD-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001026825863 662564587 /nfs/dbraw/zinc/56/45/87/662564587.db2.gz RJGNQSFUDBMQCR-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000299615494 662564592 /nfs/dbraw/zinc/56/45/92/662564592.db2.gz HAAQKNAJMYLOPM-UHFFFAOYSA-N 1 1 310.354 -1.634 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602484 662564654 /nfs/dbraw/zinc/56/46/54/662564654.db2.gz KXUQLSXMRRMYFR-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602484 662564658 /nfs/dbraw/zinc/56/46/58/662564658.db2.gz KXUQLSXMRRMYFR-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603770 662564672 /nfs/dbraw/zinc/56/46/72/662564672.db2.gz NYPNAXZYQGRWRQ-ZJUUUORDSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974603770 662564676 /nfs/dbraw/zinc/56/46/76/662564676.db2.gz NYPNAXZYQGRWRQ-ZJUUUORDSA-N 1 1 307.358 -1.612 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)n1 ZINC001026841032 662565262 /nfs/dbraw/zinc/56/52/62/662565262.db2.gz BGYXIKOUUXYFKA-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600446 662565339 /nfs/dbraw/zinc/56/53/39/662565339.db2.gz GYRLGQWNWSWDEY-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600446 662565343 /nfs/dbraw/zinc/56/53/43/662565343.db2.gz GYRLGQWNWSWDEY-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001026883414 662565634 /nfs/dbraw/zinc/56/56/34/662565634.db2.gz VHYINMVXOULARG-QWRGUYRKSA-N 1 1 321.385 -1.326 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000974681182 662565739 /nfs/dbraw/zinc/56/57/39/662565739.db2.gz SJCTXIHRNIAABQ-UWVGGRQHSA-N 1 1 312.370 -1.207 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001026883412 662565889 /nfs/dbraw/zinc/56/58/89/662565889.db2.gz VHYINMVXOULARG-GHMZBOCLSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)C(C)(C)C1 ZINC000974704259 662566085 /nfs/dbraw/zinc/56/60/85/662566085.db2.gz REXDDIDJZBJUQA-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)C(C)(C)C1 ZINC000974704259 662566087 /nfs/dbraw/zinc/56/60/87/662566087.db2.gz REXDDIDJZBJUQA-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756904 662566658 /nfs/dbraw/zinc/56/66/58/662566658.db2.gz LDRPOWDSHAJANK-WDEREUQCSA-N 1 1 311.386 -1.211 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756893 662566755 /nfs/dbraw/zinc/56/67/55/662566755.db2.gz KZWGUZZBRDBYBG-JTQLQIEISA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756893 662566756 /nfs/dbraw/zinc/56/67/56/662566756.db2.gz KZWGUZZBRDBYBG-JTQLQIEISA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766415 662566790 /nfs/dbraw/zinc/56/67/90/662566790.db2.gz ZWWKSIJTWYYBGM-UWVGGRQHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766415 662566792 /nfs/dbraw/zinc/56/67/92/662566792.db2.gz ZWWKSIJTWYYBGM-UWVGGRQHSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001026992340 662567259 /nfs/dbraw/zinc/56/72/59/662567259.db2.gz LCHZYEOWRPKOTI-VIFPVBQESA-N 1 1 320.357 -1.099 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026985085 662567390 /nfs/dbraw/zinc/56/73/90/662567390.db2.gz HULKXSMFTXNMCR-VHSXEESVSA-N 1 1 320.353 -1.030 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)C(C)(C)C1 ZINC000974829545 662567440 /nfs/dbraw/zinc/56/74/40/662567440.db2.gz XYIAPIIXRUNWRC-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)C(C)(C)C1 ZINC000974829545 662567443 /nfs/dbraw/zinc/56/74/43/662567443.db2.gz XYIAPIIXRUNWRC-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026985084 662567630 /nfs/dbraw/zinc/56/76/30/662567630.db2.gz HULKXSMFTXNMCR-UWVGGRQHSA-N 1 1 320.353 -1.030 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001026993362 662567865 /nfs/dbraw/zinc/56/78/65/662567865.db2.gz CLDLHFANMUKVEO-ZJUUUORDSA-N 1 1 322.373 -1.828 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001027003370 662568338 /nfs/dbraw/zinc/56/83/38/662568338.db2.gz RFXYPEWAHGKFLF-MRVPVSSYSA-N 1 1 306.334 -2.015 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001026998801 662568381 /nfs/dbraw/zinc/56/83/81/662568381.db2.gz MMHWSQGYTZTIHP-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001026993360 662568397 /nfs/dbraw/zinc/56/83/97/662568397.db2.gz CLDLHFANMUKVEO-UWVGGRQHSA-N 1 1 322.373 -1.828 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899968 662568557 /nfs/dbraw/zinc/56/85/57/662568557.db2.gz GXVWRHGFRMCDQG-UWVGGRQHSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899968 662568560 /nfs/dbraw/zinc/56/85/60/662568560.db2.gz GXVWRHGFRMCDQG-UWVGGRQHSA-N 1 1 311.386 -1.417 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001027015839 662568644 /nfs/dbraw/zinc/56/86/44/662568644.db2.gz MMHWSQGYTZTIHP-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001027025471 662568862 /nfs/dbraw/zinc/56/88/62/662568862.db2.gz FDAFRQGGDGKHLF-VIFPVBQESA-N 1 1 318.341 -1.455 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC001027004832 662569193 /nfs/dbraw/zinc/56/91/93/662569193.db2.gz FRWLEXXCOURVCF-GHMZBOCLSA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 ZINC001027031623 662569607 /nfs/dbraw/zinc/56/96/07/662569607.db2.gz PYCJNRRMQOKYQP-VIFPVBQESA-N 1 1 307.358 -1.586 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951261 662570339 /nfs/dbraw/zinc/57/03/39/662570339.db2.gz UGBUWEHUVPDSIA-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951261 662570342 /nfs/dbraw/zinc/57/03/42/662570342.db2.gz UGBUWEHUVPDSIA-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000974912976 662570760 /nfs/dbraw/zinc/57/07/60/662570760.db2.gz LVFOVZUEMKBUCM-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974965761 662571116 /nfs/dbraw/zinc/57/11/16/662571116.db2.gz YMYHZWYDWQOCGJ-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952496 662571423 /nfs/dbraw/zinc/57/14/23/662571423.db2.gz WUAVXRHGGLLPGX-BDAKNGLRSA-N 1 1 309.374 -1.086 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952496 662571425 /nfs/dbraw/zinc/57/14/25/662571425.db2.gz WUAVXRHGGLLPGX-BDAKNGLRSA-N 1 1 309.374 -1.086 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC000974958857 662571784 /nfs/dbraw/zinc/57/17/84/662571784.db2.gz FUKGCTAGDNOAGU-GHMZBOCLSA-N 1 1 305.338 -1.264 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994413 662572330 /nfs/dbraw/zinc/57/23/30/662572330.db2.gz KEHGBZMSZVZALP-WDEREUQCSA-N 1 1 323.397 -1.227 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994413 662572337 /nfs/dbraw/zinc/57/23/37/662572337.db2.gz KEHGBZMSZVZALP-WDEREUQCSA-N 1 1 323.397 -1.227 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)n1 ZINC001027060867 662572554 /nfs/dbraw/zinc/57/25/54/662572554.db2.gz PMJCITPQULKMOU-HZMBPMFUSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(CNC[C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)n1 ZINC001027073976 662572824 /nfs/dbraw/zinc/57/28/24/662572824.db2.gz OXHOXBWVZOFYAT-JTQLQIEISA-N 1 1 319.373 -1.101 20 0 DAADMO CC1(C)C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000975003948 662572886 /nfs/dbraw/zinc/57/28/86/662572886.db2.gz GUFGRSVWYMVDQY-QMMMGPOBSA-N 1 1 311.342 -2.150 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000975003948 662572891 /nfs/dbraw/zinc/57/28/91/662572891.db2.gz GUFGRSVWYMVDQY-QMMMGPOBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683452 662573038 /nfs/dbraw/zinc/57/30/38/662573038.db2.gz WCSIRTLUKSSPQH-JGVFFNPUSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683452 662573040 /nfs/dbraw/zinc/57/30/40/662573040.db2.gz WCSIRTLUKSSPQH-JGVFFNPUSA-N 1 1 317.371 -1.758 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974997354 662573075 /nfs/dbraw/zinc/57/30/75/662573075.db2.gz POAQHKKVGUCSTP-WDEREUQCSA-N 1 1 321.385 -1.214 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1NC(=O)C(N)=O ZINC000975001229 662573119 /nfs/dbraw/zinc/57/31/19/662573119.db2.gz BJOMPCLANOMSDR-QWRGUYRKSA-N 1 1 309.370 -1.444 20 0 DAADMO COCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008908494 662574683 /nfs/dbraw/zinc/57/46/83/662574683.db2.gz PKQVVLJGTKEGGJ-RVMXOQNASA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008908494 662574684 /nfs/dbraw/zinc/57/46/84/662574684.db2.gz PKQVVLJGTKEGGJ-RVMXOQNASA-N 1 1 311.382 -1.216 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001027160927 662575808 /nfs/dbraw/zinc/57/58/08/662575808.db2.gz MYPZBBNNQWKZFR-SECBINFHSA-N 1 1 305.346 -1.491 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001027204820 662576152 /nfs/dbraw/zinc/57/61/52/662576152.db2.gz SSGCLTORLCNFMN-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000975718922 662576554 /nfs/dbraw/zinc/57/65/54/662576554.db2.gz PGJSQMDYURFTLI-SRVKXCTJSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689719 662576584 /nfs/dbraw/zinc/57/65/84/662576584.db2.gz DFQSIRDJEXWWLG-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689719 662576587 /nfs/dbraw/zinc/57/65/87/662576587.db2.gz DFQSIRDJEXWWLG-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027216716 662576628 /nfs/dbraw/zinc/57/66/28/662576628.db2.gz XEOYIFQKVBVOGY-RYUDHWBXSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216716 662576630 /nfs/dbraw/zinc/57/66/30/662576630.db2.gz XEOYIFQKVBVOGY-RYUDHWBXSA-N 1 1 322.413 -1.002 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000975935735 662576781 /nfs/dbraw/zinc/57/67/81/662576781.db2.gz XKQICTQGUPQACZ-SRVKXCTJSA-N 1 1 308.382 -1.127 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290840 662577254 /nfs/dbraw/zinc/57/72/54/662577254.db2.gz FTLNTXZGZCHIDG-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290839 662577280 /nfs/dbraw/zinc/57/72/80/662577280.db2.gz FTLNTXZGZCHIDG-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001006696778 662577433 /nfs/dbraw/zinc/57/74/33/662577433.db2.gz UXSDGMDRWHAQDA-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290723 662577477 /nfs/dbraw/zinc/57/74/77/662577477.db2.gz BZMJUVUJQYJHAQ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290838 662577587 /nfs/dbraw/zinc/57/75/87/662577587.db2.gz FTLNTXZGZCHIDG-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000976127461 662578817 /nfs/dbraw/zinc/57/88/17/662578817.db2.gz IGVDUCODROIQFJ-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384122 662579596 /nfs/dbraw/zinc/57/95/96/662579596.db2.gz ULVXUDMOSJTYGA-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384122 662579597 /nfs/dbraw/zinc/57/95/97/662579597.db2.gz ULVXUDMOSJTYGA-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1 ZINC000976132704 662579733 /nfs/dbraw/zinc/57/97/33/662579733.db2.gz HRHHZZSBNWDAIA-MEWQQHAOSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)C1 ZINC000976198289 662580677 /nfs/dbraw/zinc/58/06/77/662580677.db2.gz CARAIIWNGMZHCJ-XQHKEYJVSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)C1 ZINC000976198289 662580678 /nfs/dbraw/zinc/58/06/78/662580678.db2.gz CARAIIWNGMZHCJ-XQHKEYJVSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]21 ZINC000976275456 662581498 /nfs/dbraw/zinc/58/14/98/662581498.db2.gz VAHBGGFQPMTYNU-KZZRWZIVSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC000976267715 662582050 /nfs/dbraw/zinc/58/20/50/662582050.db2.gz JQIXSTQFJMQPEO-KZZRWZIVSA-N 1 1 321.381 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC000976269614 662582117 /nfs/dbraw/zinc/58/21/17/662582117.db2.gz OOWUIOFYIVEZFJ-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976312707 662582604 /nfs/dbraw/zinc/58/26/04/662582604.db2.gz RWNIQODLQLMRTM-YTWAJWBKSA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976312707 662582605 /nfs/dbraw/zinc/58/26/05/662582605.db2.gz RWNIQODLQLMRTM-YTWAJWBKSA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001027341293 662582949 /nfs/dbraw/zinc/58/29/49/662582949.db2.gz LHRXIKFIVOBWLT-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]32)C1 ZINC000976303360 662582965 /nfs/dbraw/zinc/58/29/65/662582965.db2.gz DDMAEAASVDPHLI-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@H]32)C1 ZINC000976303360 662582968 /nfs/dbraw/zinc/58/29/68/662582968.db2.gz DDMAEAASVDPHLI-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000976535421 662586026 /nfs/dbraw/zinc/58/60/26/662586026.db2.gz KPFISYGGXIMMHM-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4nccn4)C[C@H]32)C1 ZINC000976539928 662586082 /nfs/dbraw/zinc/58/60/82/662586082.db2.gz LMDRMNXXUPXMRV-NMKXLXIOSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]32)C1 ZINC000976533939 662586191 /nfs/dbraw/zinc/58/61/91/662586191.db2.gz VQGDERPLAGJSRK-FHUSYTEZSA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]32)C1 ZINC000976533946 662586221 /nfs/dbraw/zinc/58/62/21/662586221.db2.gz VQGDERPLAGJSRK-OBPIAQAESA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)C1 ZINC000976544504 662586640 /nfs/dbraw/zinc/58/66/40/662586640.db2.gz HGIUBURZKDRGIA-QKFSQAGISA-N 1 1 320.393 -1.368 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]32)C1 ZINC000976542998 662586672 /nfs/dbraw/zinc/58/66/72/662586672.db2.gz ZPXPPQOHLOMXAS-GCHJQGSQSA-N 1 1 321.381 -1.808 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]32)C1 ZINC000976541858 662587268 /nfs/dbraw/zinc/58/72/68/662587268.db2.gz UIVCBWMSFYDDGZ-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1 ZINC000976558864 662587389 /nfs/dbraw/zinc/58/73/89/662587389.db2.gz XWNIBLCOOHUMHH-MEWQQHAOSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1 ZINC000976576424 662587547 /nfs/dbraw/zinc/58/75/47/662587547.db2.gz WXUQOEUQFHXPGZ-NMKXLXIOSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1 ZINC000976576422 662587720 /nfs/dbraw/zinc/58/77/20/662587720.db2.gz WXUQOEUQFHXPGZ-CIQGVGRVSA-N 1 1 318.381 -1.197 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COC)C[C@H]32)C1 ZINC000976603045 662587815 /nfs/dbraw/zinc/58/78/15/662587815.db2.gz BRFCUIGBUIPJFM-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)COC)C[C@H]32)C1 ZINC000976603045 662587816 /nfs/dbraw/zinc/58/78/16/662587816.db2.gz BRFCUIGBUIPJFM-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)nn1 ZINC001027407919 662588455 /nfs/dbraw/zinc/58/84/55/662588455.db2.gz DUQVQTZUIHDTHK-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)nn1 ZINC001027407919 662588457 /nfs/dbraw/zinc/58/84/57/662588457.db2.gz DUQVQTZUIHDTHK-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000976677747 662588549 /nfs/dbraw/zinc/58/85/49/662588549.db2.gz YXJLWQRSTUSBRA-MIZYBKAJSA-N 1 1 317.349 -1.181 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCCNC1=O ZINC001027411231 662588562 /nfs/dbraw/zinc/58/85/62/662588562.db2.gz BRYIXFKXCNIEBU-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001027411983 662588692 /nfs/dbraw/zinc/58/86/92/662588692.db2.gz LQHVBEXQSRDTRB-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001027411982 662588862 /nfs/dbraw/zinc/58/88/62/662588862.db2.gz LQHVBEXQSRDTRB-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000976747456 662589250 /nfs/dbraw/zinc/58/92/50/662589250.db2.gz ADSDIEJZLPWYBP-CDDJKKQXSA-N 1 1 303.322 -1.429 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418438 662589321 /nfs/dbraw/zinc/58/93/21/662589321.db2.gz CUSGLTWCNKVSBO-SECBINFHSA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418438 662589323 /nfs/dbraw/zinc/58/93/23/662589323.db2.gz CUSGLTWCNKVSBO-SECBINFHSA-N 1 1 323.357 -2.215 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009635037 662590270 /nfs/dbraw/zinc/59/02/70/662590270.db2.gz KPLPPTVILSRAAK-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)C1 ZINC000976815405 662591431 /nfs/dbraw/zinc/59/14/31/662591431.db2.gz LUGXIMDZPPFGGE-SVDPJWKOSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn[nH]2)C1 ZINC000976815405 662591433 /nfs/dbraw/zinc/59/14/33/662591433.db2.gz LUGXIMDZPPFGGE-SVDPJWKOSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn[nH]2)C1 ZINC000976815405 662591435 /nfs/dbraw/zinc/59/14/35/662591435.db2.gz LUGXIMDZPPFGGE-SVDPJWKOSA-N 1 1 304.354 -1.057 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433258 662591465 /nfs/dbraw/zinc/59/14/65/662591465.db2.gz VLLCCIBUMCPWEE-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433258 662591467 /nfs/dbraw/zinc/59/14/67/662591467.db2.gz VLLCCIBUMCPWEE-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000976841101 662591703 /nfs/dbraw/zinc/59/17/03/662591703.db2.gz YZAYSMQEHQZVLU-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976868046 662592140 /nfs/dbraw/zinc/59/21/40/662592140.db2.gz YXPNESRYLJYHLL-KIGUWFBYSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000976921859 662592700 /nfs/dbraw/zinc/59/27/00/662592700.db2.gz OOFFBOUMMKULFE-SQYUCLKFSA-N 1 1 306.366 -1.469 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnc[nH]2)C1 ZINC000976984424 662594294 /nfs/dbraw/zinc/59/42/94/662594294.db2.gz HJHFEAWEIXVUIR-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncn[nH]2)C1 ZINC000976984424 662594295 /nfs/dbraw/zinc/59/42/95/662594295.db2.gz HJHFEAWEIXVUIR-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncn[nH]2)C1 ZINC000976984424 662594297 /nfs/dbraw/zinc/59/42/97/662594297.db2.gz HJHFEAWEIXVUIR-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)C1 ZINC000976984424 662594299 /nfs/dbraw/zinc/59/42/99/662594299.db2.gz HJHFEAWEIXVUIR-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)C1 ZINC000976984424 662594301 /nfs/dbraw/zinc/59/43/01/662594301.db2.gz HJHFEAWEIXVUIR-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)n1 ZINC000977001786 662595962 /nfs/dbraw/zinc/59/59/62/662595962.db2.gz ZMGWOWDYJARAEP-ZNSHCXBVSA-N 1 1 319.369 -1.652 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977026944 662596014 /nfs/dbraw/zinc/59/60/14/662596014.db2.gz LTJQKJBHLHWDJZ-WHOHXGKFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977026944 662596015 /nfs/dbraw/zinc/59/60/15/662596015.db2.gz LTJQKJBHLHWDJZ-WHOHXGKFSA-N 1 1 324.381 -1.846 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1 ZINC000977030211 662596050 /nfs/dbraw/zinc/59/60/50/662596050.db2.gz FRPPHSOEGNKJQA-BSJXLVFVSA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1 ZINC000977030211 662596052 /nfs/dbraw/zinc/59/60/52/662596052.db2.gz FRPPHSOEGNKJQA-BSJXLVFVSA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000977076573 662597236 /nfs/dbraw/zinc/59/72/36/662597236.db2.gz SDKYRFDGQOWSCT-KZZRWZIVSA-N 1 1 321.381 -1.665 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000977091798 662599067 /nfs/dbraw/zinc/59/90/67/662599067.db2.gz LCRKZJYFSUNURA-MIZYBKAJSA-N 1 1 317.349 -1.181 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]21 ZINC000977080814 662599936 /nfs/dbraw/zinc/59/99/36/662599936.db2.gz ACYQBWRHZJIDQD-FHUSYTEZSA-N 1 1 320.393 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027470613 662600362 /nfs/dbraw/zinc/60/03/62/662600362.db2.gz SRPFWLFGYURZBX-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001027477923 662600436 /nfs/dbraw/zinc/60/04/36/662600436.db2.gz MQWWVLKDOBHLAI-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001027477923 662600437 /nfs/dbraw/zinc/60/04/37/662600437.db2.gz MQWWVLKDOBHLAI-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000977205441 662600564 /nfs/dbraw/zinc/60/05/64/662600564.db2.gz SKGKKARJQZZRSQ-XARVFOJUSA-N 1 1 320.393 -1.225 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001027482890 662600719 /nfs/dbraw/zinc/60/07/19/662600719.db2.gz JIMWBNXMLXCOBD-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001027482890 662600720 /nfs/dbraw/zinc/60/07/20/662600720.db2.gz JIMWBNXMLXCOBD-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324981 662602452 /nfs/dbraw/zinc/60/24/52/662602452.db2.gz DSFSQADDSMWWKH-WCBMZHEXSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977324981 662602454 /nfs/dbraw/zinc/60/24/54/662602454.db2.gz DSFSQADDSMWWKH-WCBMZHEXSA-N 1 1 324.381 -1.260 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)S1(=O)=O ZINC000977324663 662602520 /nfs/dbraw/zinc/60/25/20/662602520.db2.gz IIOXIRVFERHWBT-WDEREUQCSA-N 1 1 319.427 -1.161 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)S1(=O)=O ZINC000977324642 662602533 /nfs/dbraw/zinc/60/25/33/662602533.db2.gz IIOXIRVFERHWBT-GHMZBOCLSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519768 662602728 /nfs/dbraw/zinc/60/27/28/662602728.db2.gz VWJNXXBDSCWANJ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977463892 662603272 /nfs/dbraw/zinc/60/32/72/662603272.db2.gz CQXUVDBMNUPSBR-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977485023 662603354 /nfs/dbraw/zinc/60/33/54/662603354.db2.gz ZCBDNNIRBXYENJ-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1=O ZINC000977469794 662603545 /nfs/dbraw/zinc/60/35/45/662603545.db2.gz OWLHNKXMHDGQCD-SNVBAGLBSA-N 1 1 312.370 -1.301 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977485019 662603552 /nfs/dbraw/zinc/60/35/52/662603552.db2.gz ZCBDNNIRBXYENJ-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977527201 662603744 /nfs/dbraw/zinc/60/37/44/662603744.db2.gz SDIPUGPVRNHCOU-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977527201 662603745 /nfs/dbraw/zinc/60/37/45/662603745.db2.gz SDIPUGPVRNHCOU-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c(=O)n1C ZINC000977538594 662603861 /nfs/dbraw/zinc/60/38/61/662603861.db2.gz JPWBVKBZTXYTCW-LLVKDONJSA-N 1 1 311.386 -1.291 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575960 662604009 /nfs/dbraw/zinc/60/40/09/662604009.db2.gz RPTOTGZFKZTPGO-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575960 662604011 /nfs/dbraw/zinc/60/40/11/662604011.db2.gz RPTOTGZFKZTPGO-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000977608232 662604180 /nfs/dbraw/zinc/60/41/80/662604180.db2.gz ZMPVYSBLOUNBDA-VHSXEESVSA-N 1 1 305.400 -1.503 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977579453 662604244 /nfs/dbraw/zinc/60/42/44/662604244.db2.gz RYEMGBPERZKKNY-UWVGGRQHSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575959 662604304 /nfs/dbraw/zinc/60/43/04/662604304.db2.gz RPTOTGZFKZTPGO-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977575959 662604305 /nfs/dbraw/zinc/60/43/05/662604305.db2.gz RPTOTGZFKZTPGO-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977579462 662604307 /nfs/dbraw/zinc/60/43/07/662604307.db2.gz RYEMGBPERZKKNY-VHSXEESVSA-N 1 1 312.370 -1.254 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977564648 662604323 /nfs/dbraw/zinc/60/43/23/662604323.db2.gz HHSAVTGFYCFTQK-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977564648 662604324 /nfs/dbraw/zinc/60/43/24/662604324.db2.gz HHSAVTGFYCFTQK-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622800 662604552 /nfs/dbraw/zinc/60/45/52/662604552.db2.gz SNUFRXJSCKLNSV-MWLCHTKSSA-N 1 1 324.385 -1.416 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635040 662604690 /nfs/dbraw/zinc/60/46/90/662604690.db2.gz JZJLJDPFUUAAFQ-LLVKDONJSA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635040 662604692 /nfs/dbraw/zinc/60/46/92/662604692.db2.gz JZJLJDPFUUAAFQ-LLVKDONJSA-N 1 1 323.397 -1.090 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000977621929 662604837 /nfs/dbraw/zinc/60/48/37/662604837.db2.gz LIWNIXOIAXAAIC-SNVBAGLBSA-N 1 1 310.358 -1.804 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551106 662605362 /nfs/dbraw/zinc/60/53/62/662605362.db2.gz ISEWGTZPBXWABZ-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1)N1CCNC(=O)C1 ZINC000977676816 662605395 /nfs/dbraw/zinc/60/53/95/662605395.db2.gz LALBIDREKNKRJA-XYYAHUGASA-N 1 1 320.393 -1.351 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1)N1CCNC(=O)C1 ZINC000977676816 662605396 /nfs/dbraw/zinc/60/53/96/662605396.db2.gz LALBIDREKNKRJA-XYYAHUGASA-N 1 1 320.393 -1.351 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1)NC1CC1 ZINC000977842742 662606768 /nfs/dbraw/zinc/60/67/68/662606768.db2.gz VFSFYTSDUCTVSW-YIYPIFLZSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000977951336 662607476 /nfs/dbraw/zinc/60/74/76/662607476.db2.gz GNYVZJPCKPRFAZ-FVCCEPFGSA-N 1 1 318.381 -1.149 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969084 662607737 /nfs/dbraw/zinc/60/77/37/662607737.db2.gz JEOQPCJEIMSFCT-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969084 662607739 /nfs/dbraw/zinc/60/77/39/662607739.db2.gz JEOQPCJEIMSFCT-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969079 662607783 /nfs/dbraw/zinc/60/77/83/662607783.db2.gz JEOQPCJEIMSFCT-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969079 662607785 /nfs/dbraw/zinc/60/77/85/662607785.db2.gz JEOQPCJEIMSFCT-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000977966541 662607817 /nfs/dbraw/zinc/60/78/17/662607817.db2.gz QEGQSEMJAKONGP-CHWFTXMASA-N 1 1 316.365 -1.145 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000978011583 662608129 /nfs/dbraw/zinc/60/81/29/662608129.db2.gz OMAMDEQWYHQEOA-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000978072592 662608803 /nfs/dbraw/zinc/60/88/03/662608803.db2.gz GYPMVTHSTBAQJF-ZSOGYDGISA-N 1 1 322.409 -1.153 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000978081782 662608847 /nfs/dbraw/zinc/60/88/47/662608847.db2.gz MJVMAWWDKRPIFG-MMWGEVLESA-N 1 1 304.354 -1.389 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978114766 662609087 /nfs/dbraw/zinc/60/90/87/662609087.db2.gz JOEQADZQDOVMII-RTCCRHLQSA-N 1 1 306.370 -1.189 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978113046 662609217 /nfs/dbraw/zinc/60/92/17/662609217.db2.gz GXYNGRFMRKFPIW-DBIOUOCHSA-N 1 1 306.370 -1.143 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000978116572 662609223 /nfs/dbraw/zinc/60/92/23/662609223.db2.gz LUDJDLLBSKBGSR-KQXIARHKSA-N 1 1 318.381 -1.047 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978100040 662609281 /nfs/dbraw/zinc/60/92/81/662609281.db2.gz RHCMRENRDHCEOV-DBIOUOCHSA-N 1 1 306.370 -1.143 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978100057 662609287 /nfs/dbraw/zinc/60/92/87/662609287.db2.gz RHCMRENRDHCEOV-XWLWVQCSSA-N 1 1 306.370 -1.143 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)nn1 ZINC000978119024 662609579 /nfs/dbraw/zinc/60/95/79/662609579.db2.gz YDSRXBZGELMDGS-WISYIIOYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)nn1 ZINC000978119024 662609582 /nfs/dbraw/zinc/60/95/82/662609582.db2.gz YDSRXBZGELMDGS-WISYIIOYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978106667 662609608 /nfs/dbraw/zinc/60/96/08/662609608.db2.gz ZURJSDQFWUYOIW-YFKTTZPYSA-N 1 1 318.381 -1.047 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000978108440 662609659 /nfs/dbraw/zinc/60/96/59/662609659.db2.gz MXQCTMCKMBNLQM-CHWFTXMASA-N 1 1 320.349 -1.226 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)nn1 ZINC000978160993 662609782 /nfs/dbraw/zinc/60/97/82/662609782.db2.gz RPGXEJUXPHDFOD-CNDDSTCGSA-N 1 1 309.370 -1.176 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC000978197629 662610678 /nfs/dbraw/zinc/61/06/78/662610678.db2.gz DDSAAVGNFMHAJG-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199125 662611086 /nfs/dbraw/zinc/61/10/86/662611086.db2.gz ZOMMBVGGNVMAAT-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199125 662611087 /nfs/dbraw/zinc/61/10/87/662611087.db2.gz ZOMMBVGGNVMAAT-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027595632 662611306 /nfs/dbraw/zinc/61/13/06/662611306.db2.gz FIZAHGGZMTYSCJ-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027595632 662611309 /nfs/dbraw/zinc/61/13/09/662611309.db2.gz FIZAHGGZMTYSCJ-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cnc[nH]c1=O ZINC000978305396 662612016 /nfs/dbraw/zinc/61/20/16/662612016.db2.gz DEEZQHXUCCZLQE-KXGXSXBTSA-N 1 1 317.349 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC000978323297 662612638 /nfs/dbraw/zinc/61/26/38/662612638.db2.gz OPBQMRUQNJINAR-FIQHERPVSA-N 1 1 308.382 -1.447 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC000978317312 662612686 /nfs/dbraw/zinc/61/26/86/662612686.db2.gz RAOHQICAXJWCNG-RTCCRHLQSA-N 1 1 305.338 -1.164 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC000978333376 662612790 /nfs/dbraw/zinc/61/27/90/662612790.db2.gz IKOSAUGAIKCJFS-RTCCRHLQSA-N 1 1 319.365 -1.194 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978322499 662612857 /nfs/dbraw/zinc/61/28/57/662612857.db2.gz RZBJQEAUPSMPIQ-XGFWRYKXSA-N 1 1 324.425 -1.255 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC001027613490 662612871 /nfs/dbraw/zinc/61/28/71/662612871.db2.gz YGEVEAUUUXKLBY-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC000978400413 662612940 /nfs/dbraw/zinc/61/29/40/662612940.db2.gz YZKUEQBJMUSGIZ-KKOKHZNYSA-N 1 1 308.382 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027616917 662613325 /nfs/dbraw/zinc/61/33/25/662613325.db2.gz NTBXEWLUMVSDQY-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC000978392043 662613369 /nfs/dbraw/zinc/61/33/69/662613369.db2.gz OLPFXYQMETVPBZ-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000978415914 662613657 /nfs/dbraw/zinc/61/36/57/662613657.db2.gz XSSGMNOEZXJJCC-KKOKHZNYSA-N 1 1 321.381 -1.168 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038760022 662614033 /nfs/dbraw/zinc/61/40/33/662614033.db2.gz KSGSVUVKVVJOLH-WDEREUQCSA-N 1 1 324.381 -1.077 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1 ZINC000978452363 662614058 /nfs/dbraw/zinc/61/40/58/662614058.db2.gz HHGJIOIDJGVBNQ-RTCCRHLQSA-N 1 1 304.350 -1.222 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1 ZINC000978452363 662614059 /nfs/dbraw/zinc/61/40/59/662614059.db2.gz HHGJIOIDJGVBNQ-RTCCRHLQSA-N 1 1 304.350 -1.222 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628944 662614349 /nfs/dbraw/zinc/61/43/49/662614349.db2.gz OIKUAAPSVSLJEQ-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)n3C)[C@@H]2C1 ZINC000978590055 662614602 /nfs/dbraw/zinc/61/46/02/662614602.db2.gz BPECAUVJRNCVKG-KYXWUPHJSA-N 1 1 307.354 -1.093 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC000978593020 662614621 /nfs/dbraw/zinc/61/46/21/662614621.db2.gz DMDTWLXDUITNEI-FIQHERPVSA-N 1 1 308.382 -1.495 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c1=O ZINC000978578238 662614625 /nfs/dbraw/zinc/61/46/25/662614625.db2.gz AOXUCLQAXYMVCF-WLLOZRIZSA-N 1 1 322.365 -1.224 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001027639953 662614659 /nfs/dbraw/zinc/61/46/59/662614659.db2.gz IVJIDXUWHLWRIV-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)nn1 ZINC000978606651 662614938 /nfs/dbraw/zinc/61/49/38/662614938.db2.gz QHLJIDLFQAJDBV-LPWJVIDDSA-N 1 1 318.381 -1.255 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CCNC4=O)[C@@H]3C2)nn1 ZINC000978606651 662614939 /nfs/dbraw/zinc/61/49/39/662614939.db2.gz QHLJIDLFQAJDBV-LPWJVIDDSA-N 1 1 318.381 -1.255 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978615563 662614945 /nfs/dbraw/zinc/61/49/45/662614945.db2.gz OIGRKQZNGJNDBB-DOLQZWNJSA-N 1 1 307.358 -1.618 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@@H]2C1 ZINC000978622009 662615312 /nfs/dbraw/zinc/61/53/12/662615312.db2.gz OLLQTBQLXPXDOS-RVMXOQNASA-N 1 1 322.409 -1.011 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000978668874 662615500 /nfs/dbraw/zinc/61/55/00/662615500.db2.gz DTBPSHVUPFGXMV-WISYIIOYSA-N 1 1 319.369 -1.747 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978672283 662615645 /nfs/dbraw/zinc/61/56/45/662615645.db2.gz JUEPPHALEMRIDM-FVCCEPFGSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)n1 ZINC000978668704 662615710 /nfs/dbraw/zinc/61/57/10/662615710.db2.gz DDXAGLJAVIIQIK-RVMXOQNASA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)n1 ZINC000978668704 662615711 /nfs/dbraw/zinc/61/57/11/662615711.db2.gz DDXAGLJAVIIQIK-RVMXOQNASA-N 1 1 318.381 -1.105 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001027653474 662615961 /nfs/dbraw/zinc/61/59/61/662615961.db2.gz YOVDGYKVDQKTNA-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000978673742 662616004 /nfs/dbraw/zinc/61/60/04/662616004.db2.gz NRMKGYUIQALEDM-WISYIIOYSA-N 1 1 321.381 -1.806 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000978729961 662616375 /nfs/dbraw/zinc/61/63/75/662616375.db2.gz ZOPWZMPDPYODIB-FPYNETTCSA-N 1 1 322.409 -1.249 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001027666572 662616588 /nfs/dbraw/zinc/61/65/88/662616588.db2.gz GXZIRRWCACWWPK-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001027666572 662616591 /nfs/dbraw/zinc/61/65/91/662616591.db2.gz GXZIRRWCACWWPK-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c(=O)n(C)c1=O ZINC000978810441 662616955 /nfs/dbraw/zinc/61/69/55/662616955.db2.gz NQSDSTWGAPFTOF-RTCCRHLQSA-N 1 1 322.365 -2.016 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)C1=O ZINC001027674488 662617132 /nfs/dbraw/zinc/61/71/32/662617132.db2.gz ZDZMBHBCEREMKZ-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675632 662617442 /nfs/dbraw/zinc/61/74/42/662617442.db2.gz YUTVQWGPTVLREP-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675632 662617444 /nfs/dbraw/zinc/61/74/44/662617444.db2.gz YUTVQWGPTVLREP-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978874002 662617767 /nfs/dbraw/zinc/61/77/67/662617767.db2.gz DMYVGGBAARUGAJ-XWLWVQCSSA-N 1 1 306.370 -1.143 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1)N1CCC1 ZINC000978882492 662617910 /nfs/dbraw/zinc/61/79/10/662617910.db2.gz YWFOBKDMVHBRJD-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1)N1CCC1 ZINC000978882492 662617912 /nfs/dbraw/zinc/61/79/12/662617912.db2.gz YWFOBKDMVHBRJD-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1)N1CCC1 ZINC000978882492 662617914 /nfs/dbraw/zinc/61/79/14/662617914.db2.gz YWFOBKDMVHBRJD-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1)N1CCC1 ZINC000978882492 662617916 /nfs/dbraw/zinc/61/79/16/662617916.db2.gz YWFOBKDMVHBRJD-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc[nH]n3)[C@@H]2C1)N1CCC1 ZINC000978882492 662617918 /nfs/dbraw/zinc/61/79/18/662617918.db2.gz YWFOBKDMVHBRJD-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000978893860 662618082 /nfs/dbraw/zinc/61/80/82/662618082.db2.gz BJABMEZCUUUBBC-WRWGMCAJSA-N 1 1 324.381 -1.654 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978875709 662618254 /nfs/dbraw/zinc/61/82/54/662618254.db2.gz IKKMQRSRRZCAJW-HNCHTBHHSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693764 662618276 /nfs/dbraw/zinc/61/82/76/662618276.db2.gz JCGKELKBZREHQQ-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027703407 662618609 /nfs/dbraw/zinc/61/86/09/662618609.db2.gz BVHROACWEIEOLO-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027703407 662618610 /nfs/dbraw/zinc/61/86/10/662618610.db2.gz BVHROACWEIEOLO-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000978999564 662619015 /nfs/dbraw/zinc/61/90/15/662619015.db2.gz GNYVZJPCKPRFAZ-RVMXOQNASA-N 1 1 318.381 -1.149 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000979033879 662619390 /nfs/dbraw/zinc/61/93/90/662619390.db2.gz CBIPKBMJERTSLJ-OWUUHHOZSA-N 1 1 305.338 -1.827 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cncc(C(N)=O)c3)[C@@H]2C1 ZINC000979074245 662619736 /nfs/dbraw/zinc/61/97/36/662619736.db2.gz MRQJZLJFCOKKPW-CNDDSTCGSA-N 1 1 317.349 -1.427 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC000979076801 662619920 /nfs/dbraw/zinc/61/99/20/662619920.db2.gz IBZXXRLWMOZVBX-XWLWVQCSSA-N 1 1 322.369 -1.948 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979084998 662620147 /nfs/dbraw/zinc/62/01/47/662620147.db2.gz CMTXYYQLPMQXNC-RVMXOQNASA-N 1 1 324.381 -1.987 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCCS1(=O)=O ZINC000979071651 662620164 /nfs/dbraw/zinc/62/01/64/662620164.db2.gz LPFRGECSPUDPIE-WISYIIOYSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCCS1(=O)=O ZINC000979071653 662620264 /nfs/dbraw/zinc/62/02/64/662620264.db2.gz LPFRGECSPUDPIE-YFKTTZPYSA-N 1 1 302.396 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N(C)C3)[C@@H]2C1 ZINC000979098669 662620451 /nfs/dbraw/zinc/62/04/51/662620451.db2.gz KEGDZNBCCIFPHR-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n(C)c1=O ZINC000979100768 662620468 /nfs/dbraw/zinc/62/04/68/662620468.db2.gz JYSBXNMUWRYPOP-OWUUHHOZSA-N 1 1 307.354 -1.883 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)nn1 ZINC000979081676 662620479 /nfs/dbraw/zinc/62/04/79/662620479.db2.gz VQVYDATUYIXXOT-OWUUHHOZSA-N 1 1 308.342 -2.337 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979092703 662620636 /nfs/dbraw/zinc/62/06/36/662620636.db2.gz UHSVCMYDVLREEY-FVCCEPFGSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC000979097991 662620655 /nfs/dbraw/zinc/62/06/55/662620655.db2.gz HWSQXEFZERRYEV-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC000979097992 662620730 /nfs/dbraw/zinc/62/07/30/662620730.db2.gz HWSQXEFZERRYEV-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)ccn3)[C@@H]2C1 ZINC000979143933 662621619 /nfs/dbraw/zinc/62/16/19/662621619.db2.gz OPCUHOIIBSIGMR-RTCCRHLQSA-N 1 1 317.349 -1.427 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979219436 662621872 /nfs/dbraw/zinc/62/18/72/662621872.db2.gz VPDYGBJQKIQKSD-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979240241 662622430 /nfs/dbraw/zinc/62/24/30/662622430.db2.gz TXJDEBABMVCZEE-QWRGUYRKSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979235951 662622446 /nfs/dbraw/zinc/62/24/46/662622446.db2.gz KUBXAUNFGBWWOW-MWLCHTKSSA-N 1 1 310.358 -1.604 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979240239 662622470 /nfs/dbraw/zinc/62/24/70/662622470.db2.gz TXJDEBABMVCZEE-MNOVXSKESA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979235950 662622490 /nfs/dbraw/zinc/62/24/90/662622490.db2.gz KUBXAUNFGBWWOW-KOLCDFICSA-N 1 1 310.358 -1.604 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979240237 662622516 /nfs/dbraw/zinc/62/25/16/662622516.db2.gz TXJDEBABMVCZEE-GHMZBOCLSA-N 1 1 324.385 -1.121 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC000979240208 662622554 /nfs/dbraw/zinc/62/25/54/662622554.db2.gz TUPGWCSRXFABAQ-WPRPVWTQSA-N 1 1 310.358 -1.306 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC000979240202 662622572 /nfs/dbraw/zinc/62/25/72/662622572.db2.gz TUPGWCSRXFABAQ-PSASIEDQSA-N 1 1 310.358 -1.306 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979259172 662622928 /nfs/dbraw/zinc/62/29/28/662622928.db2.gz PIILQBBIAVESAX-BDAKNGLRSA-N 1 1 311.346 -2.209 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)nc1 ZINC000979361784 662623349 /nfs/dbraw/zinc/62/33/49/662623349.db2.gz RZTVQOHLWJMACK-WDEREUQCSA-N 1 1 307.354 -1.024 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979364711 662623661 /nfs/dbraw/zinc/62/36/61/662623661.db2.gz XBPCFJQGRPKBDK-KOLCDFICSA-N 1 1 310.358 -1.511 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361263 662623678 /nfs/dbraw/zinc/62/36/78/662623678.db2.gz QIHFCZUMJIEXJY-NXEZZACHSA-N 1 1 310.358 -1.511 20 0 DAADMO Cc1ccnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979353326 662623906 /nfs/dbraw/zinc/62/39/06/662623906.db2.gz CYPFTAPBWHWICP-MNOVXSKESA-N 1 1 307.354 -1.024 20 0 DAADMO CCc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC000979363789 662623924 /nfs/dbraw/zinc/62/39/24/662623924.db2.gz WHWOMCWEVWTBLM-NXEZZACHSA-N 1 1 324.385 -1.432 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979391791 662624142 /nfs/dbraw/zinc/62/41/42/662624142.db2.gz CMUKOPLHUXMJGH-ZJUUUORDSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC000979364863 662624204 /nfs/dbraw/zinc/62/42/04/662624204.db2.gz XPSABEVRBUIWBU-ONGXEEELSA-N 1 1 310.358 -1.511 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC000979364858 662624315 /nfs/dbraw/zinc/62/43/15/662624315.db2.gz XPSABEVRBUIWBU-KOLCDFICSA-N 1 1 310.358 -1.511 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001027790087 662624355 /nfs/dbraw/zinc/62/43/55/662624355.db2.gz DWNOXTRJPFCBNP-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979391784 662624417 /nfs/dbraw/zinc/62/44/17/662624417.db2.gz CMUKOPLHUXMJGH-UWVGGRQHSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365545 662624467 /nfs/dbraw/zinc/62/44/67/662624467.db2.gz YMODQLUFLRCJJH-GXSJLCMTSA-N 1 1 324.385 -1.203 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979391787 662624517 /nfs/dbraw/zinc/62/45/17/662624517.db2.gz CMUKOPLHUXMJGH-VHSXEESVSA-N 1 1 320.357 -1.048 20 0 DAADMO Cn1nnc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001027805632 662624764 /nfs/dbraw/zinc/62/47/64/662624764.db2.gz WNJYAAQMVMQMBZ-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001027805632 662624766 /nfs/dbraw/zinc/62/47/66/662624766.db2.gz WNJYAAQMVMQMBZ-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805371 662624859 /nfs/dbraw/zinc/62/48/59/662624859.db2.gz RSYUMYZLEQKBIK-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805371 662624862 /nfs/dbraw/zinc/62/48/62/662624862.db2.gz RSYUMYZLEQKBIK-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979520656 662625662 /nfs/dbraw/zinc/62/56/62/662625662.db2.gz RZZTXWDQUDSKAA-AXFHLTTASA-N 1 1 307.358 -1.625 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)C1=COCCO1 ZINC001010025033 662627256 /nfs/dbraw/zinc/62/72/56/662627256.db2.gz XNDNFISIONWHRG-JTQLQIEISA-N 1 1 324.337 -1.383 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000979776933 662627579 /nfs/dbraw/zinc/62/75/79/662627579.db2.gz UUKZKLNIHIETBA-SRVKXCTJSA-N 1 1 321.385 -1.364 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000979886416 662629221 /nfs/dbraw/zinc/62/92/21/662629221.db2.gz OUQRAWUFYOYCDV-GMTAPVOTSA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000979886416 662629224 /nfs/dbraw/zinc/62/92/24/662629224.db2.gz OUQRAWUFYOYCDV-GMTAPVOTSA-N 1 1 312.370 -1.797 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC001027857847 662631043 /nfs/dbraw/zinc/63/10/43/662631043.db2.gz CLLOHPMFTZRGDB-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC001027857847 662631045 /nfs/dbraw/zinc/63/10/45/662631045.db2.gz CLLOHPMFTZRGDB-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)O1 ZINC000979991542 662631111 /nfs/dbraw/zinc/63/11/11/662631111.db2.gz IDBLRFZTOOQIBB-GWOFURMSSA-N 1 1 312.370 -1.798 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)O1 ZINC000979991542 662631113 /nfs/dbraw/zinc/63/11/13/662631113.db2.gz IDBLRFZTOOQIBB-GWOFURMSSA-N 1 1 312.370 -1.798 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001027867139 662631885 /nfs/dbraw/zinc/63/18/85/662631885.db2.gz MAISKHQTJRJBTJ-ZJUUUORDSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001027867139 662631886 /nfs/dbraw/zinc/63/18/86/662631886.db2.gz MAISKHQTJRJBTJ-ZJUUUORDSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)c1=O ZINC000980081456 662632286 /nfs/dbraw/zinc/63/22/86/662632286.db2.gz DIIZCBZPWPWOJP-FRRDWIJNSA-N 1 1 323.397 -1.209 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)nn1 ZINC001027876969 662632580 /nfs/dbraw/zinc/63/25/80/662632580.db2.gz AMYIJRKKMIIRCW-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(N)=O)nn1 ZINC001027876969 662632583 /nfs/dbraw/zinc/63/25/83/662632583.db2.gz AMYIJRKKMIIRCW-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000980167086 662633311 /nfs/dbraw/zinc/63/33/11/662633311.db2.gz RXDWHGKFYDIQJI-JFGNBEQYSA-N 1 1 308.382 -1.033 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980188222 662633324 /nfs/dbraw/zinc/63/33/24/662633324.db2.gz UZKGWORFGZHJAL-GARJFASQSA-N 1 1 317.411 -1.267 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980171579 662633508 /nfs/dbraw/zinc/63/35/08/662633508.db2.gz MLAWTEMRTBNDQW-HZSPNIEDSA-N 1 1 324.425 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC000980166106 662633531 /nfs/dbraw/zinc/63/35/31/662633531.db2.gz NLIFLAINRWRYAC-GRYCIOLGSA-N 1 1 306.370 -1.020 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC000980166111 662633597 /nfs/dbraw/zinc/63/35/97/662633597.db2.gz NLIFLAINRWRYAC-SDDRHHMPSA-N 1 1 306.370 -1.020 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187215 662633635 /nfs/dbraw/zinc/63/36/35/662633635.db2.gz RETXQKUWKSNCEZ-LPEHRKFASA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980187215 662633636 /nfs/dbraw/zinc/63/36/36/662633636.db2.gz RETXQKUWKSNCEZ-LPEHRKFASA-N 1 1 307.358 -1.588 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C1 ZINC000980183104 662633662 /nfs/dbraw/zinc/63/36/62/662633662.db2.gz DDXUBZLIBLHQEW-QJPTWQEYSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000980203570 662634352 /nfs/dbraw/zinc/63/43/52/662634352.db2.gz IMHBBEJFDZJJEJ-DCAQKATOSA-N 1 1 321.385 -1.214 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263728 662634512 /nfs/dbraw/zinc/63/45/12/662634512.db2.gz LIWQPMVBVLEGBQ-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C2)c(=O)n1C ZINC000980293242 662635100 /nfs/dbraw/zinc/63/51/00/662635100.db2.gz ATHVXVWOLYDINI-KOLCDFICSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346856 662635804 /nfs/dbraw/zinc/63/58/04/662635804.db2.gz RYZLJDOOUVQSOH-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)[C@H]1CCNC1=O ZINC000980346004 662635831 /nfs/dbraw/zinc/63/58/31/662635831.db2.gz KFKPILKHJOONFM-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980349392 662635850 /nfs/dbraw/zinc/63/58/50/662635850.db2.gz IFZTVXZIVMJYCI-BDAKNGLRSA-N 1 1 320.353 -1.404 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980345353 662636002 /nfs/dbraw/zinc/63/60/02/662636002.db2.gz BCVFCSWMPUEJAP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000980345353 662636003 /nfs/dbraw/zinc/63/60/03/662636003.db2.gz BCVFCSWMPUEJAP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980345354 662636024 /nfs/dbraw/zinc/63/60/24/662636024.db2.gz BCVFCSWMPUEJAP-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000980345354 662636026 /nfs/dbraw/zinc/63/60/26/662636026.db2.gz BCVFCSWMPUEJAP-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000980357472 662636157 /nfs/dbraw/zinc/63/61/57/662636157.db2.gz AEGFJEGVKFXCLF-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000980357474 662636314 /nfs/dbraw/zinc/63/63/14/662636314.db2.gz AEGFJEGVKFXCLF-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000980355265 662636418 /nfs/dbraw/zinc/63/64/18/662636418.db2.gz PHZMDXVKJOGQAN-BJDJZHNGSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC000980426728 662636803 /nfs/dbraw/zinc/63/68/03/662636803.db2.gz JLCWWZBYQLSIGV-LLVKDONJSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC000980426728 662636805 /nfs/dbraw/zinc/63/68/05/662636805.db2.gz JLCWWZBYQLSIGV-LLVKDONJSA-N 1 1 305.338 -1.188 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980444840 662636850 /nfs/dbraw/zinc/63/68/50/662636850.db2.gz BMOFVPVLOYXKHU-NEPJUHHUSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000980444840 662636851 /nfs/dbraw/zinc/63/68/51/662636851.db2.gz BMOFVPVLOYXKHU-NEPJUHHUSA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027942027 662637284 /nfs/dbraw/zinc/63/72/84/662637284.db2.gz VBTAKZDSPNCJSS-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027942027 662637287 /nfs/dbraw/zinc/63/72/87/662637287.db2.gz VBTAKZDSPNCJSS-SNVBAGLBSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn(C)nn1 ZINC000980562750 662637463 /nfs/dbraw/zinc/63/74/63/662637463.db2.gz VTPRMZQWDRYNFM-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000980572804 662637581 /nfs/dbraw/zinc/63/75/81/662637581.db2.gz QSSJTADOGGSNRH-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000980572804 662637582 /nfs/dbraw/zinc/63/75/82/662637582.db2.gz QSSJTADOGGSNRH-SNVBAGLBSA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn(C)nn1 ZINC000980562751 662637627 /nfs/dbraw/zinc/63/76/27/662637627.db2.gz VTPRMZQWDRYNFM-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn(C)nn1 ZINC000980562752 662637679 /nfs/dbraw/zinc/63/76/79/662637679.db2.gz VTPRMZQWDRYNFM-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO CN(C(=O)C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1)C1CC1 ZINC000980680592 662637978 /nfs/dbraw/zinc/63/79/78/662637978.db2.gz BLXJGOHXYLEWEX-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1)C1CC1 ZINC000980680592 662637979 /nfs/dbraw/zinc/63/79/79/662637979.db2.gz BLXJGOHXYLEWEX-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980677280 662637988 /nfs/dbraw/zinc/63/79/88/662637988.db2.gz JYNLJBXVAVAEAW-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980677280 662637989 /nfs/dbraw/zinc/63/79/89/662637989.db2.gz JYNLJBXVAVAEAW-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cc1nnc[nH]1 ZINC000980758493 662638735 /nfs/dbraw/zinc/63/87/35/662638735.db2.gz BFFWZYRICHRVAR-VHSXEESVSA-N 1 1 319.373 -1.103 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027977994 662639163 /nfs/dbraw/zinc/63/91/63/662639163.db2.gz DZIIAXXTLIRTMR-NXEZZACHSA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027977994 662639164 /nfs/dbraw/zinc/63/91/64/662639164.db2.gz DZIIAXXTLIRTMR-NXEZZACHSA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cncn1 ZINC000980792311 662639172 /nfs/dbraw/zinc/63/91/72/662639172.db2.gz KZWSPKHDENAIDM-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000980840204 662639576 /nfs/dbraw/zinc/63/95/76/662639576.db2.gz VLBASTXOSNXFBT-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000980840204 662639578 /nfs/dbraw/zinc/63/95/78/662639578.db2.gz VLBASTXOSNXFBT-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980873454 662639990 /nfs/dbraw/zinc/63/99/90/662639990.db2.gz XJHKWFYNZXYMGS-LLVKDONJSA-N 1 1 317.411 -1.169 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980873454 662639992 /nfs/dbraw/zinc/63/99/92/662639992.db2.gz XJHKWFYNZXYMGS-LLVKDONJSA-N 1 1 317.411 -1.169 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC000980867546 662640082 /nfs/dbraw/zinc/64/00/82/662640082.db2.gz YYGZVUGOMAAZCS-GFCCVEGCSA-N 1 1 309.370 -1.346 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCOCC2)C1 ZINC000950063663 662640803 /nfs/dbraw/zinc/64/08/03/662640803.db2.gz FCECZNVUJGNBMJ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)CS(C)(=O)=O)C1 ZINC000950063173 662640863 /nfs/dbraw/zinc/64/08/63/662640863.db2.gz AJJSADZYMQEMFR-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013010 662640934 /nfs/dbraw/zinc/64/09/34/662640934.db2.gz GZPYJGRTCPSCRR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981013010 662640936 /nfs/dbraw/zinc/64/09/36/662640936.db2.gz GZPYJGRTCPSCRR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CS(C)(=O)=O)C1 ZINC000950063170 662640962 /nfs/dbraw/zinc/64/09/62/662640962.db2.gz AJJSADZYMQEMFR-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981073338 662641203 /nfs/dbraw/zinc/64/12/03/662641203.db2.gz FNDFZRLLVBXWBP-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981073338 662641206 /nfs/dbraw/zinc/64/12/06/662641206.db2.gz FNDFZRLLVBXWBP-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981073336 662641307 /nfs/dbraw/zinc/64/13/07/662641307.db2.gz FNDFZRLLVBXWBP-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981073336 662641309 /nfs/dbraw/zinc/64/13/09/662641309.db2.gz FNDFZRLLVBXWBP-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981016180 662641331 /nfs/dbraw/zinc/64/13/31/662641331.db2.gz XOVQCNPDZNPYBY-SNVBAGLBSA-N 1 1 310.358 -1.218 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981016180 662641332 /nfs/dbraw/zinc/64/13/32/662641332.db2.gz XOVQCNPDZNPYBY-SNVBAGLBSA-N 1 1 310.358 -1.218 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981073330 662641380 /nfs/dbraw/zinc/64/13/80/662641380.db2.gz FNDFZRLLVBXWBP-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981073330 662641381 /nfs/dbraw/zinc/64/13/81/662641381.db2.gz FNDFZRLLVBXWBP-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cnc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)n1 ZINC000981105291 662641722 /nfs/dbraw/zinc/64/17/22/662641722.db2.gz ACSFOSTZWLKOLO-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO Cn1cnc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)n1 ZINC000981105291 662641724 /nfs/dbraw/zinc/64/17/24/662641724.db2.gz ACSFOSTZWLKOLO-UHFFFAOYSA-N 1 1 321.385 -1.012 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981171743 662641899 /nfs/dbraw/zinc/64/18/99/662641899.db2.gz POFOIJIIDFHTHC-UHFFFAOYSA-N 1 1 322.373 -1.767 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043323 662641902 /nfs/dbraw/zinc/64/19/02/662641902.db2.gz LIJQZWPUDUGQIP-JQWIXIFHSA-N 1 1 307.354 -1.062 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)ncc1=O ZINC001028037886 662641931 /nfs/dbraw/zinc/64/19/31/662641931.db2.gz JVOMGKLREOMJFS-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)ncc1=O ZINC001028037886 662641932 /nfs/dbraw/zinc/64/19/32/662641932.db2.gz JVOMGKLREOMJFS-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981170543 662642005 /nfs/dbraw/zinc/64/20/05/662642005.db2.gz BKGITELYDYGLTG-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981170543 662642007 /nfs/dbraw/zinc/64/20/07/662642007.db2.gz BKGITELYDYGLTG-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)ncc1=O ZINC001028037885 662642020 /nfs/dbraw/zinc/64/20/20/662642020.db2.gz JVOMGKLREOMJFS-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)ncc1=O ZINC001028037885 662642022 /nfs/dbraw/zinc/64/20/22/662642022.db2.gz JVOMGKLREOMJFS-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981171605 662642026 /nfs/dbraw/zinc/64/20/26/662642026.db2.gz OBHHIRRDBPRYRO-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981171605 662642027 /nfs/dbraw/zinc/64/20/27/662642027.db2.gz OBHHIRRDBPRYRO-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981174414 662642048 /nfs/dbraw/zinc/64/20/48/662642048.db2.gz RPWABLMPUHDIDI-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981171777 662642052 /nfs/dbraw/zinc/64/20/52/662642052.db2.gz QJTDPCWITDSSAE-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981171777 662642053 /nfs/dbraw/zinc/64/20/53/662642053.db2.gz QJTDPCWITDSSAE-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037723 662642059 /nfs/dbraw/zinc/64/20/59/662642059.db2.gz FFNDGGIQTBACCZ-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037723 662642061 /nfs/dbraw/zinc/64/20/61/662642061.db2.gz FFNDGGIQTBACCZ-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)ncc1=O ZINC001028037887 662642077 /nfs/dbraw/zinc/64/20/77/662642077.db2.gz JVOMGKLREOMJFS-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)ncc1=O ZINC001028037887 662642079 /nfs/dbraw/zinc/64/20/79/662642079.db2.gz JVOMGKLREOMJFS-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981171613 662642088 /nfs/dbraw/zinc/64/20/88/662642088.db2.gz OBHHIRRDBPRYRO-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981171613 662642090 /nfs/dbraw/zinc/64/20/90/662642090.db2.gz OBHHIRRDBPRYRO-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO COC[C@H](C)[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197924 662642596 /nfs/dbraw/zinc/64/25/96/662642596.db2.gz RVMHZIALUPGFFP-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001028073964 662642984 /nfs/dbraw/zinc/64/29/84/662642984.db2.gz ZMTPTLFLCADMTN-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001028073964 662642987 /nfs/dbraw/zinc/64/29/87/662642987.db2.gz ZMTPTLFLCADMTN-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001028072864 662643064 /nfs/dbraw/zinc/64/30/64/662643064.db2.gz OELSVPMQYWQVNG-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@H]1CCNC1=O ZINC001028071321 662643091 /nfs/dbraw/zinc/64/30/91/662643091.db2.gz BEJIGHKJIHKZRD-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(Cn1nccn1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981250825 662643113 /nfs/dbraw/zinc/64/31/13/662643113.db2.gz LSGBCTPWBRMCDX-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(Cn1nccn1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981250825 662643115 /nfs/dbraw/zinc/64/31/15/662643115.db2.gz LSGBCTPWBRMCDX-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001028069412 662643291 /nfs/dbraw/zinc/64/32/91/662643291.db2.gz IIUZZCAHFKFYOD-QMMMGPOBSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001028069412 662643293 /nfs/dbraw/zinc/64/32/93/662643293.db2.gz IIUZZCAHFKFYOD-QMMMGPOBSA-N 1 1 309.326 -1.835 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076897 662643519 /nfs/dbraw/zinc/64/35/19/662643519.db2.gz ZTCSBXZPNDXQHI-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076897 662643521 /nfs/dbraw/zinc/64/35/21/662643521.db2.gz ZTCSBXZPNDXQHI-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076661 662643670 /nfs/dbraw/zinc/64/36/70/662643670.db2.gz UOCNYSYQYIUNRL-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076661 662643672 /nfs/dbraw/zinc/64/36/72/662643672.db2.gz UOCNYSYQYIUNRL-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCn2cncn2)NC1=O ZINC001028076003 662643684 /nfs/dbraw/zinc/64/36/84/662643684.db2.gz HARWNFIHNVFVGL-NWDGAFQWSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000981283415 662643735 /nfs/dbraw/zinc/64/37/35/662643735.db2.gz VNPQEEYGXVNEST-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCn2cncn2)NC1=O ZINC001028076001 662643738 /nfs/dbraw/zinc/64/37/38/662643738.db2.gz HARWNFIHNVFVGL-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076895 662643830 /nfs/dbraw/zinc/64/38/30/662643830.db2.gz ZTCSBXZPNDXQHI-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076895 662643831 /nfs/dbraw/zinc/64/38/31/662643831.db2.gz ZTCSBXZPNDXQHI-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)n1 ZINC001028078000 662643969 /nfs/dbraw/zinc/64/39/69/662643969.db2.gz BEMOZIHMYJWJTB-NXEZZACHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)n1 ZINC001028078000 662643970 /nfs/dbraw/zinc/64/39/70/662643970.db2.gz BEMOZIHMYJWJTB-NXEZZACHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028078841 662643980 /nfs/dbraw/zinc/64/39/80/662643980.db2.gz SYLQKRDUUWBLQQ-DTWKUNHWSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028078841 662643982 /nfs/dbraw/zinc/64/39/82/662643982.db2.gz SYLQKRDUUWBLQQ-DTWKUNHWSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)n1 ZINC001028078010 662644056 /nfs/dbraw/zinc/64/40/56/662644056.db2.gz BEMOZIHMYJWJTB-ZJUUUORDSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)n1 ZINC001028078010 662644057 /nfs/dbraw/zinc/64/40/57/662644057.db2.gz BEMOZIHMYJWJTB-ZJUUUORDSA-N 1 1 307.358 -1.317 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028080610 662644059 /nfs/dbraw/zinc/64/40/59/662644059.db2.gz ADTHFNJWGLUZSK-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028080610 662644060 /nfs/dbraw/zinc/64/40/60/662644060.db2.gz ADTHFNJWGLUZSK-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cncn2)n1 ZINC001028082731 662644099 /nfs/dbraw/zinc/64/40/99/662644099.db2.gz MHLULBSFZLAIEK-JTQLQIEISA-N 1 1 305.346 -1.304 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC000931835900 662644489 /nfs/dbraw/zinc/64/44/89/662644489.db2.gz OCBMNKIYROWNJG-JTQLQIEISA-N 1 1 303.384 -1.500 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981390461 662644505 /nfs/dbraw/zinc/64/45/05/662644505.db2.gz GFADELBGENVECH-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981390461 662644507 /nfs/dbraw/zinc/64/45/07/662644507.db2.gz GFADELBGENVECH-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981384850 662644611 /nfs/dbraw/zinc/64/46/11/662644611.db2.gz BCICOXWPVNSZGO-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981384850 662644612 /nfs/dbraw/zinc/64/46/12/662644612.db2.gz BCICOXWPVNSZGO-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981384849 662644644 /nfs/dbraw/zinc/64/46/44/662644644.db2.gz BCICOXWPVNSZGO-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981384849 662644645 /nfs/dbraw/zinc/64/46/45/662644645.db2.gz BCICOXWPVNSZGO-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981358758 662644693 /nfs/dbraw/zinc/64/46/93/662644693.db2.gz VCHDHGWUZIGAFA-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981358758 662644694 /nfs/dbraw/zinc/64/46/94/662644694.db2.gz VCHDHGWUZIGAFA-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504132 662644841 /nfs/dbraw/zinc/64/48/41/662644841.db2.gz VXVFZIMESXGJDZ-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504132 662644843 /nfs/dbraw/zinc/64/48/43/662644843.db2.gz VXVFZIMESXGJDZ-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)c1=O ZINC000981503080 662644855 /nfs/dbraw/zinc/64/48/55/662644855.db2.gz FUAFTPLQYKYQLL-NSHDSACASA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)c1=O ZINC000981503080 662644858 /nfs/dbraw/zinc/64/48/58/662644858.db2.gz FUAFTPLQYKYQLL-NSHDSACASA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)c1=O ZINC000981503077 662644883 /nfs/dbraw/zinc/64/48/83/662644883.db2.gz FUAFTPLQYKYQLL-LLVKDONJSA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)c1=O ZINC000981503077 662644885 /nfs/dbraw/zinc/64/48/85/662644885.db2.gz FUAFTPLQYKYQLL-LLVKDONJSA-N 1 1 322.369 -1.995 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)CC2 ZINC001028099679 662645283 /nfs/dbraw/zinc/64/52/83/662645283.db2.gz VHGMEWMCUGJTOO-MNOVXSKESA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)CC2 ZINC001028099679 662645284 /nfs/dbraw/zinc/64/52/84/662645284.db2.gz VHGMEWMCUGJTOO-MNOVXSKESA-N 1 1 320.397 -1.014 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[N@H+](CCCO)CC1 ZINC000981566954 662645341 /nfs/dbraw/zinc/64/53/41/662645341.db2.gz QPKJGEGAWWSUSN-UHFFFAOYSA-N 1 1 310.354 -1.134 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)CC2 ZINC001028099678 662645406 /nfs/dbraw/zinc/64/54/06/662645406.db2.gz VHGMEWMCUGJTOO-GHMZBOCLSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)CC2 ZINC001028099678 662645407 /nfs/dbraw/zinc/64/54/07/662645407.db2.gz VHGMEWMCUGJTOO-GHMZBOCLSA-N 1 1 320.397 -1.014 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001028109718 662645596 /nfs/dbraw/zinc/64/55/96/662645596.db2.gz MNJUCNUMFOGSPW-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001028109718 662645598 /nfs/dbraw/zinc/64/55/98/662645598.db2.gz MNJUCNUMFOGSPW-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001028109668 662645611 /nfs/dbraw/zinc/64/56/11/662645611.db2.gz LTGDPHGIYKCDMD-GHMZBOCLSA-N 1 1 324.385 -1.726 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612314 662645686 /nfs/dbraw/zinc/64/56/86/662645686.db2.gz RMFQAPLNMNOTCD-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001028109118 662645701 /nfs/dbraw/zinc/64/57/01/662645701.db2.gz DLZPTMMWWPVGNF-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103705 662645747 /nfs/dbraw/zinc/64/57/47/662645747.db2.gz URYVWWOUXWDMQD-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103705 662645749 /nfs/dbraw/zinc/64/57/49/662645749.db2.gz URYVWWOUXWDMQD-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001028109717 662645772 /nfs/dbraw/zinc/64/57/72/662645772.db2.gz MNJUCNUMFOGSPW-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001028109717 662645774 /nfs/dbraw/zinc/64/57/74/662645774.db2.gz MNJUCNUMFOGSPW-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612315 662645779 /nfs/dbraw/zinc/64/57/79/662645779.db2.gz RMFQAPLNMNOTCD-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC001028109905 662646272 /nfs/dbraw/zinc/64/62/72/662646272.db2.gz PIGXTACDPYZHJA-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC001028109905 662646275 /nfs/dbraw/zinc/64/62/75/662646275.db2.gz PIGXTACDPYZHJA-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000981742897 662646547 /nfs/dbraw/zinc/64/65/47/662646547.db2.gz MAJOUZRRXDFLNM-CQSZACIVSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750788 662646637 /nfs/dbraw/zinc/64/66/37/662646637.db2.gz JULJAXJZUDQMBW-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750788 662646638 /nfs/dbraw/zinc/64/66/38/662646638.db2.gz JULJAXJZUDQMBW-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC000981725921 662646650 /nfs/dbraw/zinc/64/66/50/662646650.db2.gz AQNYSAJSXGIWDV-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC000981725921 662646651 /nfs/dbraw/zinc/64/66/51/662646651.db2.gz AQNYSAJSXGIWDV-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742816 662646819 /nfs/dbraw/zinc/64/68/19/662646819.db2.gz SNVNYSIJDAUYOE-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742816 662646820 /nfs/dbraw/zinc/64/68/20/662646820.db2.gz SNVNYSIJDAUYOE-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO Cc1nc(C(=O)N2CCC[N@@H+](CCO)CC2)nn1-c1nc[nH]n1 ZINC000981721923 662646850 /nfs/dbraw/zinc/64/68/50/662646850.db2.gz QLGUUQLKRYWQLB-UHFFFAOYSA-N 1 1 320.357 -1.166 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981742357 662646868 /nfs/dbraw/zinc/64/68/68/662646868.db2.gz LFKNOVPRIMYFMI-QWRGUYRKSA-N 1 1 322.365 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000981726386 662646874 /nfs/dbraw/zinc/64/68/74/662646874.db2.gz MTMOPGVBHXIJRH-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000981726386 662646875 /nfs/dbraw/zinc/64/68/75/662646875.db2.gz MTMOPGVBHXIJRH-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742333 662646887 /nfs/dbraw/zinc/64/68/87/662646887.db2.gz BKJAODVNEHMKTP-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O ZINC000981749950 662647073 /nfs/dbraw/zinc/64/70/73/662647073.db2.gz NJFDHUKVWXBHRV-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O ZINC000981749950 662647074 /nfs/dbraw/zinc/64/70/74/662647074.db2.gz NJFDHUKVWXBHRV-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981749420 662647166 /nfs/dbraw/zinc/64/71/66/662647166.db2.gz AQOMASADCFJHPC-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981749420 662647168 /nfs/dbraw/zinc/64/71/68/662647168.db2.gz AQOMASADCFJHPC-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981749796 662647224 /nfs/dbraw/zinc/64/72/24/662647224.db2.gz IYAWOQCDEHNQMV-GFCCVEGCSA-N 1 1 323.397 -1.318 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981770734 662647451 /nfs/dbraw/zinc/64/74/51/662647451.db2.gz CXMVIUVWZWXEEV-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981770750 662647481 /nfs/dbraw/zinc/64/74/81/662647481.db2.gz DSUANQZFSCPKGK-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771297 662647513 /nfs/dbraw/zinc/64/75/13/662647513.db2.gz RRCLTRSPTURYHI-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771297 662647516 /nfs/dbraw/zinc/64/75/16/662647516.db2.gz RRCLTRSPTURYHI-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CC1=O ZINC000981800254 662647574 /nfs/dbraw/zinc/64/75/74/662647574.db2.gz FUGXMHGQJCMYRC-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CC1=O ZINC000981800254 662647576 /nfs/dbraw/zinc/64/75/76/662647576.db2.gz FUGXMHGQJCMYRC-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000981816126 662647706 /nfs/dbraw/zinc/64/77/06/662647706.db2.gz MEWAJQPOCLPOBW-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC000981816126 662647707 /nfs/dbraw/zinc/64/77/07/662647707.db2.gz MEWAJQPOCLPOBW-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819329 662647711 /nfs/dbraw/zinc/64/77/11/662647711.db2.gz WLNXRWQJYLPQKJ-QWRGUYRKSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981852551 662648450 /nfs/dbraw/zinc/64/84/50/662648450.db2.gz DDCFDKRIJVZLEI-NSHDSACASA-N 1 1 307.358 -1.506 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028140464 662648460 /nfs/dbraw/zinc/64/84/60/662648460.db2.gz PHCXDBVOTQTHNT-TUAOUCFPSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028140465 662648744 /nfs/dbraw/zinc/64/87/44/662648744.db2.gz PHCXDBVOTQTHNT-UTUOFQBUSA-N 1 1 323.397 -1.286 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981852863 662648757 /nfs/dbraw/zinc/64/87/57/662648757.db2.gz IVKUTCNHNVXKIL-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981852863 662648758 /nfs/dbraw/zinc/64/87/58/662648758.db2.gz IVKUTCNHNVXKIL-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000981864805 662649103 /nfs/dbraw/zinc/64/91/03/662649103.db2.gz HAPJUJATIITOFF-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000981864805 662649105 /nfs/dbraw/zinc/64/91/05/662649105.db2.gz HAPJUJATIITOFF-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000981861216 662649132 /nfs/dbraw/zinc/64/91/32/662649132.db2.gz HLEHPRRPURGPFT-GFCCVEGCSA-N 1 1 323.397 -1.113 20 0 DAADMO COCC[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933342 662649429 /nfs/dbraw/zinc/64/94/29/662649429.db2.gz PFFQIULLCAIGBM-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001028150519 662649499 /nfs/dbraw/zinc/64/94/99/662649499.db2.gz SRQSXCUGHVFYHE-WDEREUQCSA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001028150519 662649501 /nfs/dbraw/zinc/64/95/01/662649501.db2.gz SRQSXCUGHVFYHE-WDEREUQCSA-N 1 1 321.385 -1.309 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981932614 662649525 /nfs/dbraw/zinc/64/95/25/662649525.db2.gz CBZYOTFWPFRGIT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981932614 662649527 /nfs/dbraw/zinc/64/95/27/662649527.db2.gz CBZYOTFWPFRGIT-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934410 662649665 /nfs/dbraw/zinc/64/96/65/662649665.db2.gz CZDYQNMSQPXUBM-MNOVXSKESA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934410 662649666 /nfs/dbraw/zinc/64/96/66/662649666.db2.gz CZDYQNMSQPXUBM-MNOVXSKESA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150517 662649685 /nfs/dbraw/zinc/64/96/85/662649685.db2.gz SRQSXCUGHVFYHE-MNOVXSKESA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150517 662649686 /nfs/dbraw/zinc/64/96/86/662649686.db2.gz SRQSXCUGHVFYHE-MNOVXSKESA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981935806 662649898 /nfs/dbraw/zinc/64/98/98/662649898.db2.gz SXQCVAJLDGYFBC-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981935806 662649899 /nfs/dbraw/zinc/64/98/99/662649899.db2.gz SXQCVAJLDGYFBC-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCNC(=O)C1 ZINC001038158777 662650563 /nfs/dbraw/zinc/65/05/63/662650563.db2.gz UQEWBGLIFBHVFS-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCNC(=O)C1 ZINC001038158777 662650564 /nfs/dbraw/zinc/65/05/64/662650564.db2.gz UQEWBGLIFBHVFS-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975387 662650761 /nfs/dbraw/zinc/65/07/61/662650761.db2.gz QKIZTTJQRZMMSN-VHSXEESVSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975387 662650763 /nfs/dbraw/zinc/65/07/63/662650763.db2.gz QKIZTTJQRZMMSN-VHSXEESVSA-N 1 1 309.370 -1.534 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC000981967825 662650774 /nfs/dbraw/zinc/65/07/74/662650774.db2.gz JDMBJFWYQHBZMJ-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC000981967825 662650778 /nfs/dbraw/zinc/65/07/78/662650778.db2.gz JDMBJFWYQHBZMJ-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981972232 662650837 /nfs/dbraw/zinc/65/08/37/662650837.db2.gz OQFZXFRRLIQLRI-NEPJUHHUSA-N 1 1 323.397 -1.333 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000981971916 662650862 /nfs/dbraw/zinc/65/08/62/662650862.db2.gz NGGNQUQQHPWCCI-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000981971916 662650863 /nfs/dbraw/zinc/65/08/63/662650863.db2.gz NGGNQUQQHPWCCI-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c(=O)n(C)c1=O ZINC001028178544 662650865 /nfs/dbraw/zinc/65/08/65/662650865.db2.gz PCTBKHLYBOBHIB-NSHDSACASA-N 1 1 324.381 -1.339 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000981968698 662650890 /nfs/dbraw/zinc/65/08/90/662650890.db2.gz ZGOJPXZLDHRHSO-UHFFFAOYSA-N 1 1 305.338 -1.207 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000981968698 662650892 /nfs/dbraw/zinc/65/08/92/662650892.db2.gz ZGOJPXZLDHRHSO-UHFFFAOYSA-N 1 1 305.338 -1.207 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c(=O)n(C)c1=O ZINC001028178543 662650935 /nfs/dbraw/zinc/65/09/35/662650935.db2.gz PCTBKHLYBOBHIB-LLVKDONJSA-N 1 1 324.381 -1.339 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028178997 662650980 /nfs/dbraw/zinc/65/09/80/662650980.db2.gz SRSQRXZVTPHNKR-GHMZBOCLSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975385 662650990 /nfs/dbraw/zinc/65/09/90/662650990.db2.gz QKIZTTJQRZMMSN-NXEZZACHSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975385 662650991 /nfs/dbraw/zinc/65/09/91/662650991.db2.gz QKIZTTJQRZMMSN-NXEZZACHSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000982009238 662651190 /nfs/dbraw/zinc/65/11/90/662651190.db2.gz KDKYUTQDCBYSBI-WDEREUQCSA-N 1 1 324.381 -1.571 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000982009238 662651191 /nfs/dbraw/zinc/65/11/91/662651191.db2.gz KDKYUTQDCBYSBI-WDEREUQCSA-N 1 1 324.381 -1.571 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198084 662651216 /nfs/dbraw/zinc/65/12/16/662651216.db2.gz XKVXDGPUPIGVJX-SCZZXKLOSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198084 662651217 /nfs/dbraw/zinc/65/12/17/662651217.db2.gz XKVXDGPUPIGVJX-SCZZXKLOSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CCNC1=O ZINC000982008998 662651396 /nfs/dbraw/zinc/65/13/96/662651396.db2.gz WBOXCFNWJAFCNH-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CCNC1=O ZINC000982008998 662651398 /nfs/dbraw/zinc/65/13/98/662651398.db2.gz WBOXCFNWJAFCNH-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202430 662651653 /nfs/dbraw/zinc/65/16/53/662651653.db2.gz ZWNSTZFWTTVBQA-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202430 662651654 /nfs/dbraw/zinc/65/16/54/662651654.db2.gz ZWNSTZFWTTVBQA-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198085 662651831 /nfs/dbraw/zinc/65/18/31/662651831.db2.gz XKVXDGPUPIGVJX-WCBMZHEXSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198085 662651833 /nfs/dbraw/zinc/65/18/33/662651833.db2.gz XKVXDGPUPIGVJX-WCBMZHEXSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201589 662651844 /nfs/dbraw/zinc/65/18/44/662651844.db2.gz HUYULMHSUBMZRI-WDEREUQCSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073145 662652019 /nfs/dbraw/zinc/65/20/19/662652019.db2.gz IONCTEKOBVSPHO-LLVKDONJSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1CCC[N@H+](CCO)CC1 ZINC000982069608 662652360 /nfs/dbraw/zinc/65/23/60/662652360.db2.gz ATYHJXPCNVGOKU-UHFFFAOYSA-N 1 1 320.353 -1.582 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982141826 662652634 /nfs/dbraw/zinc/65/26/34/662652634.db2.gz TXSXSITZYVUTRR-UHFFFAOYSA-N 1 1 310.354 -1.545 20 0 DAADMO Cn1nc(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)ccc1=O ZINC000982140850 662652680 /nfs/dbraw/zinc/65/26/80/662652680.db2.gz GVHKFYQHXUJTBF-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO Cn1nc(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)ccc1=O ZINC000982140850 662652681 /nfs/dbraw/zinc/65/26/81/662652681.db2.gz GVHKFYQHXUJTBF-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982141403 662652769 /nfs/dbraw/zinc/65/27/69/662652769.db2.gz CQZQRPCDDNAACF-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982262084 662653525 /nfs/dbraw/zinc/65/35/25/662653525.db2.gz NJKPPJLXCNDDRX-VBNZEHGJSA-N 1 1 324.425 -1.027 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982262084 662653526 /nfs/dbraw/zinc/65/35/26/662653526.db2.gz NJKPPJLXCNDDRX-VBNZEHGJSA-N 1 1 324.425 -1.027 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982262085 662653740 /nfs/dbraw/zinc/65/37/40/662653740.db2.gz NJKPPJLXCNDDRX-WQVCFCJDSA-N 1 1 324.425 -1.027 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(N)=O)C[C@]2(C)C1 ZINC000982262085 662653744 /nfs/dbraw/zinc/65/37/44/662653744.db2.gz NJKPPJLXCNDDRX-WQVCFCJDSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)CN3CCOCC3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982262062 662653812 /nfs/dbraw/zinc/65/38/12/662653812.db2.gz MDUSOIXTNFPQLR-IYBDPMFKSA-N 1 1 324.425 -1.026 20 0 DAADMO C[C@]12CN(C(=O)CN3CCOCC3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982262062 662653813 /nfs/dbraw/zinc/65/38/13/662653813.db2.gz MDUSOIXTNFPQLR-IYBDPMFKSA-N 1 1 324.425 -1.026 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000982270992 662653946 /nfs/dbraw/zinc/65/39/46/662653946.db2.gz HAJPCTDMFCDEPO-UHFFFAOYSA-N 1 1 321.341 -1.496 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000982270992 662653948 /nfs/dbraw/zinc/65/39/48/662653948.db2.gz HAJPCTDMFCDEPO-UHFFFAOYSA-N 1 1 321.341 -1.496 20 0 DAADMO Cn1nnc(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)n1 ZINC000949162364 662654020 /nfs/dbraw/zinc/65/40/20/662654020.db2.gz WQLHNYJFDMAAFW-UHFFFAOYSA-N 1 1 323.357 -1.998 20 0 DAADMO C[C@]12CN(C(=O)Cn3nccn3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982290425 662654826 /nfs/dbraw/zinc/65/48/26/662654826.db2.gz WKSLDPBZHNKPNI-OKILXGFUSA-N 1 1 306.370 -1.066 20 0 DAADMO C[C@]12CN(C(=O)Cn3nccn3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982290425 662654827 /nfs/dbraw/zinc/65/48/27/662654827.db2.gz WKSLDPBZHNKPNI-OKILXGFUSA-N 1 1 306.370 -1.066 20 0 DAADMO NC(=O)C(=O)N1CCOC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000949174709 662655275 /nfs/dbraw/zinc/65/52/75/662655275.db2.gz YSJOWXXVHFWUQE-UHFFFAOYSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001028254361 662655778 /nfs/dbraw/zinc/65/57/78/662655778.db2.gz SSXXOKROCLTFHU-GHMZBOCLSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001028254361 662655779 /nfs/dbraw/zinc/65/57/79/662655779.db2.gz SSXXOKROCLTFHU-GHMZBOCLSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1cnon1)CCO2 ZINC000949215151 662657667 /nfs/dbraw/zinc/65/76/67/662657667.db2.gz IUCIIVLBWFJWDN-UHFFFAOYSA-N 1 1 309.326 -1.138 20 0 DAADMO Cn1nnc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425303 662657918 /nfs/dbraw/zinc/65/79/18/662657918.db2.gz CNXHHLZMCCBCOY-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425303 662657919 /nfs/dbraw/zinc/65/79/19/662657919.db2.gz CNXHHLZMCCBCOY-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO CO[C@@H]1CN(c2cc[nH+]c(N3C[C@@H](O)[C@H](OC)C3)n2)C[C@H]1O ZINC000894091337 662660131 /nfs/dbraw/zinc/66/01/31/662660131.db2.gz SGACNJNFHNGYNC-DDHJBXDOSA-N 1 1 310.354 -1.132 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)ccc1=O ZINC001028302594 662665069 /nfs/dbraw/zinc/66/50/69/662665069.db2.gz UFZYHQORIJDPFY-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)ccc1=O ZINC001028302594 662665070 /nfs/dbraw/zinc/66/50/70/662665070.db2.gz UFZYHQORIJDPFY-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028302269 662665384 /nfs/dbraw/zinc/66/53/84/662665384.db2.gz PQEBJQWGGZPCPV-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028302269 662665385 /nfs/dbraw/zinc/66/53/85/662665385.db2.gz PQEBJQWGGZPCPV-JTQLQIEISA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001028311995 662666645 /nfs/dbraw/zinc/66/66/45/662666645.db2.gz AFAGTMMWCHZCHL-MRVPVSSYSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001028311995 662666647 /nfs/dbraw/zinc/66/66/47/662666647.db2.gz AFAGTMMWCHZCHL-MRVPVSSYSA-N 1 1 309.326 -1.835 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937001953 662666893 /nfs/dbraw/zinc/66/68/93/662666893.db2.gz PBVKWDPBASNISX-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937001953 662666894 /nfs/dbraw/zinc/66/68/94/662666894.db2.gz PBVKWDPBASNISX-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937002881 662666988 /nfs/dbraw/zinc/66/69/88/662666988.db2.gz WBPYBPLRSSIMPM-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937002881 662666990 /nfs/dbraw/zinc/66/69/90/662666990.db2.gz WBPYBPLRSSIMPM-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937002879 662667053 /nfs/dbraw/zinc/66/70/53/662667053.db2.gz WBPYBPLRSSIMPM-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937002879 662667054 /nfs/dbraw/zinc/66/70/54/662667054.db2.gz WBPYBPLRSSIMPM-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326577 662667361 /nfs/dbraw/zinc/66/73/61/662667361.db2.gz VZHBHMKBQIOQLR-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326577 662667364 /nfs/dbraw/zinc/66/73/64/662667364.db2.gz VZHBHMKBQIOQLR-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001028327187 662667559 /nfs/dbraw/zinc/66/75/59/662667559.db2.gz WOAJMTRYNZGSDD-NWDGAFQWSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001028327187 662667562 /nfs/dbraw/zinc/66/75/62/662667562.db2.gz WOAJMTRYNZGSDD-NWDGAFQWSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001028333081 662668350 /nfs/dbraw/zinc/66/83/50/662668350.db2.gz CPCOLAQICHRWGJ-WDEREUQCSA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001028333081 662668351 /nfs/dbraw/zinc/66/83/51/662668351.db2.gz CPCOLAQICHRWGJ-WDEREUQCSA-N 1 1 306.370 -1.094 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334912 662668786 /nfs/dbraw/zinc/66/87/86/662668786.db2.gz KNORDVAPJUQXLI-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO Cn1[n-]c(CN2CC[C@H](CNC(=O)C3=COCCO3)C2)nc1=O ZINC001028377327 662670481 /nfs/dbraw/zinc/67/04/81/662670481.db2.gz FBTRLUQDJQHQTA-SNVBAGLBSA-N 1 1 323.353 -1.065 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982497270 662670915 /nfs/dbraw/zinc/67/09/15/662670915.db2.gz QFXWGRWADVQIKU-QCZZGDTMSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982497270 662670916 /nfs/dbraw/zinc/67/09/16/662670916.db2.gz QFXWGRWADVQIKU-QCZZGDTMSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000982504400 662671567 /nfs/dbraw/zinc/67/15/67/662671567.db2.gz VFADPJVFDIKLMF-ULKVUYOBSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1)N1CCC1 ZINC001028449023 662671919 /nfs/dbraw/zinc/67/19/19/662671919.db2.gz SOMYKJRABPWIOF-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461266 662672317 /nfs/dbraw/zinc/67/23/17/662672317.db2.gz NEPCVUJUWYEQET-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028466102 662672334 /nfs/dbraw/zinc/67/23/34/662672334.db2.gz OMFAYZPLEFIOCD-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028466102 662672336 /nfs/dbraw/zinc/67/23/36/662672336.db2.gz OMFAYZPLEFIOCD-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464876 662672373 /nfs/dbraw/zinc/67/23/73/662672373.db2.gz GRPINOKVUPZBPW-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnc(CN2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001028466242 662672598 /nfs/dbraw/zinc/67/25/98/662672598.db2.gz OVYDZKDFUOZHGR-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001028466242 662672599 /nfs/dbraw/zinc/67/25/99/662672599.db2.gz OVYDZKDFUOZHGR-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461264 662672691 /nfs/dbraw/zinc/67/26/91/662672691.db2.gz NEPCVUJUWYEQET-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001028489843 662672827 /nfs/dbraw/zinc/67/28/27/662672827.db2.gz CDPTYGVYYFIQGI-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028490009 662672832 /nfs/dbraw/zinc/67/28/32/662672832.db2.gz HFEHGGSXHWQVTI-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001028496975 662673122 /nfs/dbraw/zinc/67/31/22/662673122.db2.gz NZHUBKPVGJBQEK-GXSJLCMTSA-N 1 1 306.370 -1.058 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001028505645 662674237 /nfs/dbraw/zinc/67/42/37/662674237.db2.gz JWCUUBOFGCJJAP-AAEUAGOBSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1oc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001028508169 662674286 /nfs/dbraw/zinc/67/42/86/662674286.db2.gz MOUIUQUBPUEMSQ-NXEZZACHSA-N 1 1 308.338 -1.082 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001028505781 662674527 /nfs/dbraw/zinc/67/45/27/662674527.db2.gz MLVVRGKUFDFXJH-GFCCVEGCSA-N 1 1 310.398 -1.009 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001028531866 662675234 /nfs/dbraw/zinc/67/52/34/662675234.db2.gz KSBQMPDPRVZEJY-NSHDSACASA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)O1 ZINC001038395370 662675453 /nfs/dbraw/zinc/67/54/53/662675453.db2.gz FJUJMSUOAHKQPF-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)O1 ZINC001038395370 662675454 /nfs/dbraw/zinc/67/54/54/662675454.db2.gz FJUJMSUOAHKQPF-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660618 662676306 /nfs/dbraw/zinc/67/63/06/662676306.db2.gz VIZINSCWLSKHTH-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660618 662676308 /nfs/dbraw/zinc/67/63/08/662676308.db2.gz VIZINSCWLSKHTH-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000982682762 662676875 /nfs/dbraw/zinc/67/68/75/662676875.db2.gz LEJNYUUOVYZJAN-UHFFFAOYSA-N 1 1 319.373 -1.111 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000982683605 662677038 /nfs/dbraw/zinc/67/70/38/662677038.db2.gz VHZQLTWCADFCKL-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000982683605 662677042 /nfs/dbraw/zinc/67/70/42/662677042.db2.gz VHZQLTWCADFCKL-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982683829 662677135 /nfs/dbraw/zinc/67/71/35/662677135.db2.gz XDOGSMGHWSHGED-LLVKDONJSA-N 1 1 309.374 -1.139 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982683829 662677134 /nfs/dbraw/zinc/67/71/34/662677134.db2.gz XDOGSMGHWSHGED-LLVKDONJSA-N 1 1 309.374 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001028581529 662677553 /nfs/dbraw/zinc/67/75/53/662677553.db2.gz KUJUUPRXWGRYSG-MRVPVSSYSA-N 1 1 303.326 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001028581529 662677555 /nfs/dbraw/zinc/67/75/55/662677555.db2.gz KUJUUPRXWGRYSG-MRVPVSSYSA-N 1 1 303.326 -1.110 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028583722 662678394 /nfs/dbraw/zinc/67/83/94/662678394.db2.gz YNLAULSMVDMTHJ-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000982791699 662679748 /nfs/dbraw/zinc/67/97/48/662679748.db2.gz NGVINCQFFNWXDM-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000982791706 662679979 /nfs/dbraw/zinc/67/99/79/662679979.db2.gz NGVINCQFFNWXDM-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602025 662680998 /nfs/dbraw/zinc/68/09/98/662680998.db2.gz BYDNWKZLSQZOKD-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028601921 662681032 /nfs/dbraw/zinc/68/10/32/662681032.db2.gz AEFOJQQWYYIEEE-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602248 662681063 /nfs/dbraw/zinc/68/10/63/662681063.db2.gz CYYYCVNELPYSBC-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001028605167 662681098 /nfs/dbraw/zinc/68/10/98/662681098.db2.gz MPCHJLDSPJMUCV-JQWIXIFHSA-N 1 1 319.365 -1.280 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028601918 662681296 /nfs/dbraw/zinc/68/12/96/662681296.db2.gz AEFOJQQWYYIEEE-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055693 662681983 /nfs/dbraw/zinc/68/19/83/662681983.db2.gz MIPMZTYZUQNTKE-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055323 662682070 /nfs/dbraw/zinc/68/20/70/662682070.db2.gz CTUYPKYQDSQFBD-WDEREUQCSA-N 1 1 321.385 -1.308 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001028641328 662682684 /nfs/dbraw/zinc/68/26/84/662682684.db2.gz DMQOKOIWTIMGSJ-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028664830 662684585 /nfs/dbraw/zinc/68/45/85/662684585.db2.gz RTQRPGWSTBDYQZ-VIFPVBQESA-N 1 1 307.354 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028671735 662684635 /nfs/dbraw/zinc/68/46/35/662684635.db2.gz PIVSMAIBQZGSFA-GHMZBOCLSA-N 1 1 311.386 -1.300 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001028686164 662684900 /nfs/dbraw/zinc/68/49/00/662684900.db2.gz HSQWEJOBCUYARK-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO COCCn1nc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)ccc1=O ZINC001028677783 662685199 /nfs/dbraw/zinc/68/51/99/662685199.db2.gz ZOPGNKLZRDGSGM-GFCCVEGCSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000983117328 662685246 /nfs/dbraw/zinc/68/52/46/662685246.db2.gz PFHGBHKFOORVHX-KYZUINATSA-N 1 1 306.334 -2.119 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000983136163 662685881 /nfs/dbraw/zinc/68/58/81/662685881.db2.gz VTFIBFGJVSSDJY-QWRGUYRKSA-N 1 1 321.385 -1.260 20 0 DAADMO NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698490 662685889 /nfs/dbraw/zinc/68/58/89/662685889.db2.gz LAULFKLNNNKKHB-OPXGVBIBSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)CN1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698490 662685890 /nfs/dbraw/zinc/68/58/90/662685890.db2.gz LAULFKLNNNKKHB-OPXGVBIBSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698489 662685900 /nfs/dbraw/zinc/68/59/00/662685900.db2.gz LAULFKLNNNKKHB-ISGSLZAZSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)CN1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698489 662685901 /nfs/dbraw/zinc/68/59/01/662685901.db2.gz LAULFKLNNNKKHB-ISGSLZAZSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698488 662686032 /nfs/dbraw/zinc/68/60/32/662686032.db2.gz LAULFKLNNNKKHB-AJAZOQAWSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698488 662686034 /nfs/dbraw/zinc/68/60/34/662686034.db2.gz LAULFKLNNNKKHB-AJAZOQAWSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001028708017 662686299 /nfs/dbraw/zinc/68/62/99/662686299.db2.gz BLTNBDDYRZGECP-ZJQBRPOHSA-N 1 1 311.382 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167443 662686430 /nfs/dbraw/zinc/68/64/30/662686430.db2.gz KJRWAVBAQIXQFG-JQWIXIFHSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167443 662686432 /nfs/dbraw/zinc/68/64/32/662686432.db2.gz KJRWAVBAQIXQFG-JQWIXIFHSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206718 662688513 /nfs/dbraw/zinc/68/85/13/662688513.db2.gz TUFUVGRXFQPGDW-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206718 662688516 /nfs/dbraw/zinc/68/85/16/662688516.db2.gz TUFUVGRXFQPGDW-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028736002 662689216 /nfs/dbraw/zinc/68/92/16/662689216.db2.gz VHSOYVVUNPPRFS-JTQLQIEISA-N 1 1 317.353 -1.078 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028743866 662689261 /nfs/dbraw/zinc/68/92/61/662689261.db2.gz DMJDZZSRPPRNAF-SECBINFHSA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028743866 662689263 /nfs/dbraw/zinc/68/92/63/662689263.db2.gz DMJDZZSRPPRNAF-SECBINFHSA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740479 662689307 /nfs/dbraw/zinc/68/93/07/662689307.db2.gz QOWUPUPEJXFTHC-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740479 662689308 /nfs/dbraw/zinc/68/93/08/662689308.db2.gz QOWUPUPEJXFTHC-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001028737554 662689374 /nfs/dbraw/zinc/68/93/74/662689374.db2.gz ZKCZEJGCIGWIFW-NWDGAFQWSA-N 1 1 308.382 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001028740887 662689507 /nfs/dbraw/zinc/68/95/07/662689507.db2.gz UAIZDCPIDAPDGK-MNOVXSKESA-N 1 1 311.386 -1.464 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028743867 662689594 /nfs/dbraw/zinc/68/95/94/662689594.db2.gz DMJDZZSRPPRNAF-VIFPVBQESA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028743867 662689596 /nfs/dbraw/zinc/68/95/96/662689596.db2.gz DMJDZZSRPPRNAF-VIFPVBQESA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740482 662689603 /nfs/dbraw/zinc/68/96/03/662689603.db2.gz QOWUPUPEJXFTHC-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740482 662689607 /nfs/dbraw/zinc/68/96/07/662689607.db2.gz QOWUPUPEJXFTHC-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028749936 662690010 /nfs/dbraw/zinc/69/00/10/662690010.db2.gz RNTDUMYZQYZBFE-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001028747785 662690214 /nfs/dbraw/zinc/69/02/14/662690214.db2.gz FGJWYWRRMNZWAF-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028749291 662690322 /nfs/dbraw/zinc/69/03/22/662690322.db2.gz RKXNOSRZQGVDBR-VHSXEESVSA-N 1 1 309.374 -1.262 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001028772338 662690485 /nfs/dbraw/zinc/69/04/85/662690485.db2.gz CGNUMHZSAJNVGA-GHMZBOCLSA-N 1 1 307.358 -1.602 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773242 662691331 /nfs/dbraw/zinc/69/13/31/662691331.db2.gz KEUDAHICSXBGEN-ZYHUDNBSSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773242 662691333 /nfs/dbraw/zinc/69/13/33/662691333.db2.gz KEUDAHICSXBGEN-ZYHUDNBSSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028774506 662691392 /nfs/dbraw/zinc/69/13/92/662691392.db2.gz XPMOMIJEZJQYRJ-JQWIXIFHSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028774506 662691395 /nfs/dbraw/zinc/69/13/95/662691395.db2.gz XPMOMIJEZJQYRJ-JQWIXIFHSA-N 1 1 321.385 -1.083 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774728 662691862 /nfs/dbraw/zinc/69/18/62/662691862.db2.gz ZUOYPLIVKYDNSS-NXEZZACHSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774728 662691865 /nfs/dbraw/zinc/69/18/65/662691865.db2.gz ZUOYPLIVKYDNSS-NXEZZACHSA-N 1 1 318.399 -1.850 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807230 662692142 /nfs/dbraw/zinc/69/21/42/662692142.db2.gz DWLHLJQKUDHOCI-MXWKQRLJSA-N 1 1 317.411 -1.410 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807230 662692143 /nfs/dbraw/zinc/69/21/43/662692143.db2.gz DWLHLJQKUDHOCI-MXWKQRLJSA-N 1 1 317.411 -1.410 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001028805896 662692164 /nfs/dbraw/zinc/69/21/64/662692164.db2.gz VLGDBYVKDQWPJQ-JLLWLGSASA-N 1 1 306.370 -1.125 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001028805896 662692165 /nfs/dbraw/zinc/69/21/65/662692165.db2.gz VLGDBYVKDQWPJQ-JLLWLGSASA-N 1 1 306.370 -1.125 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807659 662692234 /nfs/dbraw/zinc/69/22/34/662692234.db2.gz OWJODICRHNEMTL-JLLWLGSASA-N 1 1 306.370 -1.125 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807659 662692235 /nfs/dbraw/zinc/69/22/35/662692235.db2.gz OWJODICRHNEMTL-JLLWLGSASA-N 1 1 306.370 -1.125 20 0 DAADMO CN1C[C@@H](O)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000924984634 662692354 /nfs/dbraw/zinc/69/23/54/662692354.db2.gz WTXYLFMMGHGWGR-AGIUHOORSA-N 1 1 312.414 -1.422 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001028840710 662692734 /nfs/dbraw/zinc/69/27/34/662692734.db2.gz KKCYILDBWUPLKQ-SNVBAGLBSA-N 1 1 310.354 -1.872 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840448 662692754 /nfs/dbraw/zinc/69/27/54/662692754.db2.gz FJOSGHMNQBCZRZ-NSHDSACASA-N 1 1 324.381 -1.218 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001028866717 662692922 /nfs/dbraw/zinc/69/29/22/662692922.db2.gz SGWXLUHKBWFNQH-MWLCHTKSSA-N 1 1 322.365 -1.634 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864302 662693030 /nfs/dbraw/zinc/69/30/30/662693030.db2.gz LYENHVICMDLIIZ-JUXJKVCFSA-N 1 1 323.353 -2.102 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866385 662693085 /nfs/dbraw/zinc/69/30/85/662693085.db2.gz LXBVJQOPNHQVAF-ONGXEEELSA-N 1 1 324.381 -1.259 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866382 662693127 /nfs/dbraw/zinc/69/31/27/662693127.db2.gz LXBVJQOPNHQVAF-GXSJLCMTSA-N 1 1 324.381 -1.259 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001028862426 662693174 /nfs/dbraw/zinc/69/31/74/662693174.db2.gz RHWHQQLNKBSVJM-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028875612 662693328 /nfs/dbraw/zinc/69/33/28/662693328.db2.gz IYTSCAQEMVEXRK-JTQLQIEISA-N 1 1 317.353 -1.078 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nccnc3N)C2)n1 ZINC000983354156 662693477 /nfs/dbraw/zinc/69/34/77/662693477.db2.gz GSUNGTONUVFEPM-KYZUINATSA-N 1 1 317.357 -1.120 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001028926780 662693692 /nfs/dbraw/zinc/69/36/92/662693692.db2.gz RKTSYUVXJLOWGG-NXEZZACHSA-N 1 1 306.370 -1.167 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001028917624 662693706 /nfs/dbraw/zinc/69/37/06/662693706.db2.gz OVQBINADTVNKMF-MNOVXSKESA-N 1 1 322.369 -1.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001028917624 662693709 /nfs/dbraw/zinc/69/37/09/662693709.db2.gz OVQBINADTVNKMF-MNOVXSKESA-N 1 1 322.369 -1.224 20 0 DAADMO Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)nnn1C ZINC000983383614 662693716 /nfs/dbraw/zinc/69/37/16/662693716.db2.gz ZLZGTOFFMJDAOA-MGCOHNPYSA-N 1 1 319.373 -1.055 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@@H]3CC[N@@H+](CC(N)=O)C3)n2n1 ZINC001028926794 662693769 /nfs/dbraw/zinc/69/37/69/662693769.db2.gz KIJCUEMIYRQQQD-JTQLQIEISA-N 1 1 317.353 -1.030 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028926027 662693784 /nfs/dbraw/zinc/69/37/84/662693784.db2.gz JKKUAERLEASQQI-MRVPVSSYSA-N 1 1 312.326 -1.060 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928639 662693819 /nfs/dbraw/zinc/69/38/19/662693819.db2.gz NGDQISQCWUETQJ-NXEZZACHSA-N 1 1 320.353 -1.150 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001028927895 662693908 /nfs/dbraw/zinc/69/39/08/662693908.db2.gz YIRWEFNOKQNYPE-SECBINFHSA-N 1 1 318.337 -1.028 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028963186 662693995 /nfs/dbraw/zinc/69/39/95/662693995.db2.gz IYZUNVCEHNUBKJ-NEPJUHHUSA-N 1 1 312.370 -1.843 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001028917625 662694120 /nfs/dbraw/zinc/69/41/20/662694120.db2.gz OVQBINADTVNKMF-QWRGUYRKSA-N 1 1 322.369 -1.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001028917625 662694122 /nfs/dbraw/zinc/69/41/22/662694122.db2.gz OVQBINADTVNKMF-QWRGUYRKSA-N 1 1 322.369 -1.224 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001028936032 662694226 /nfs/dbraw/zinc/69/42/26/662694226.db2.gz PFZBSNGZYUMWLZ-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990945 662694422 /nfs/dbraw/zinc/69/44/22/662694422.db2.gz UVBVSKGOQZIPGG-ZJUUUORDSA-N 1 1 318.399 -2.138 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028989976 662694438 /nfs/dbraw/zinc/69/44/38/662694438.db2.gz BGUKCKJPKDLZME-IUCAKERBSA-N 1 1 304.372 -2.399 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979823 662694453 /nfs/dbraw/zinc/69/44/53/662694453.db2.gz GEQWJYNPVZLTPP-VHSXEESVSA-N 1 1 310.354 -1.082 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028989975 662694636 /nfs/dbraw/zinc/69/46/36/662694636.db2.gz BGUKCKJPKDLZME-DTWKUNHWSA-N 1 1 304.372 -2.399 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979588 662694711 /nfs/dbraw/zinc/69/47/11/662694711.db2.gz ANELZKGYNXHCPS-BDAKNGLRSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028971220 662694715 /nfs/dbraw/zinc/69/47/15/662694715.db2.gz HSNRUBUXLVNXHD-DTWKUNHWSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970998 662694742 /nfs/dbraw/zinc/69/47/42/662694742.db2.gz DJOKFPIDAGOKKU-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028994385 662694746 /nfs/dbraw/zinc/69/47/46/662694746.db2.gz RJKSZKPNMCGKJM-RYUDHWBXSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028974918 662694790 /nfs/dbraw/zinc/69/47/90/662694790.db2.gz UCMWVEKIKXKRHZ-SECBINFHSA-N 1 1 320.353 -1.627 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970824 662694805 /nfs/dbraw/zinc/69/48/05/662694805.db2.gz ADIOBOWPXWNAEO-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001028990777 662694832 /nfs/dbraw/zinc/69/48/32/662694832.db2.gz QLAFUPAKTSSHIA-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001028993396 662694871 /nfs/dbraw/zinc/69/48/71/662694871.db2.gz YHQJWWSXUWITMW-GHMZBOCLSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029004259 662694988 /nfs/dbraw/zinc/69/49/88/662694988.db2.gz YAQDZCYAXYTRPF-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000622 662695009 /nfs/dbraw/zinc/69/50/09/662695009.db2.gz GLJRUNOFQDCEOI-RKDXNWHRSA-N 1 1 323.357 -2.311 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001029004201 662695169 /nfs/dbraw/zinc/69/51/69/662695169.db2.gz WUKDWIQJBKNPBL-NSHDSACASA-N 1 1 324.385 -1.590 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028999617 662695288 /nfs/dbraw/zinc/69/52/88/662695288.db2.gz PCPNILIFNSQKJP-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028999617 662695289 /nfs/dbraw/zinc/69/52/89/662695289.db2.gz PCPNILIFNSQKJP-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000623 662695312 /nfs/dbraw/zinc/69/53/12/662695312.db2.gz GNAWTQQBWOUOBU-SECBINFHSA-N 1 1 323.357 -2.439 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029004260 662695320 /nfs/dbraw/zinc/69/53/20/662695320.db2.gz YAQDZCYAXYTRPF-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001070 662695431 /nfs/dbraw/zinc/69/54/31/662695431.db2.gz PCZBNXRFCLBLBX-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CN=NC3=O)C2)n1 ZINC000983511572 662695573 /nfs/dbraw/zinc/69/55/73/662695573.db2.gz YJCNNNJABIXZLJ-KYZUINATSA-N 1 1 321.345 -1.808 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001029019600 662695639 /nfs/dbraw/zinc/69/56/39/662695639.db2.gz ZSUHOWRHRHSNKT-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029241508 662697895 /nfs/dbraw/zinc/69/78/95/662697895.db2.gz VJSDTWQPGAMOQX-KXNHARMFSA-N 1 1 306.366 -1.171 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000983810204 662697965 /nfs/dbraw/zinc/69/79/65/662697965.db2.gz OUVYBQRGILZTAM-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029241509 662698075 /nfs/dbraw/zinc/69/80/75/662698075.db2.gz VJSDTWQPGAMOQX-WRWGMCAJSA-N 1 1 306.366 -1.171 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001029249817 662698109 /nfs/dbraw/zinc/69/81/09/662698109.db2.gz MKGRKWOJAQJYRV-FRRDWIJNSA-N 1 1 321.381 -1.205 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764780 662698693 /nfs/dbraw/zinc/69/86/93/662698693.db2.gz YEIFBBWGKWAXKM-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029280216 662698872 /nfs/dbraw/zinc/69/88/72/662698872.db2.gz ZCJCPRPVKGHPHF-XJFOESAGSA-N 1 1 322.409 -1.119 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909439035 662698893 /nfs/dbraw/zinc/69/88/93/662698893.db2.gz YMZNFJOCBILULL-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CN1CCCCS1(=O)=O ZINC000909439035 662698895 /nfs/dbraw/zinc/69/88/95/662698895.db2.gz YMZNFJOCBILULL-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001029328878 662700525 /nfs/dbraw/zinc/70/05/25/662700525.db2.gz COJMSMSWWODTOU-TXEJJXNPSA-N 1 1 322.365 -1.786 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029342011 662700897 /nfs/dbraw/zinc/70/08/97/662700897.db2.gz OSRXMDLXRZVJAT-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1=O ZINC001029363948 662701116 /nfs/dbraw/zinc/70/11/16/662701116.db2.gz INGLEDOYRPKQRG-BETUJISGSA-N 1 1 310.398 -1.572 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928558332 662701727 /nfs/dbraw/zinc/70/17/27/662701727.db2.gz BDKJYQCUGVOBMU-VHSXEESVSA-N 1 1 315.399 -1.093 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001029404847 662702691 /nfs/dbraw/zinc/70/26/91/662702691.db2.gz UBKJENICFCHTLK-TXEJJXNPSA-N 1 1 309.370 -1.361 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029420828 662703334 /nfs/dbraw/zinc/70/33/34/662703334.db2.gz MBDGTYKKINLICD-KXNHARMFSA-N 1 1 306.366 -1.314 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029420829 662703411 /nfs/dbraw/zinc/70/34/11/662703411.db2.gz MBDGTYKKINLICD-USZNOCQGSA-N 1 1 306.366 -1.314 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029420830 662703419 /nfs/dbraw/zinc/70/34/19/662703419.db2.gz MBDGTYKKINLICD-WHOHXGKFSA-N 1 1 306.366 -1.314 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)C2)n1 ZINC000984421484 662703656 /nfs/dbraw/zinc/70/36/56/662703656.db2.gz HHVSOOOQLSJDAH-GPCCPHFNSA-N 1 1 321.385 -1.279 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ncnn21 ZINC001029450194 662704296 /nfs/dbraw/zinc/70/42/96/662704296.db2.gz ZHNSWIZZJRYVBO-OUAUKWLOSA-N 1 1 304.354 -1.074 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001029450194 662704298 /nfs/dbraw/zinc/70/42/98/662704298.db2.gz ZHNSWIZZJRYVBO-OUAUKWLOSA-N 1 1 304.354 -1.074 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029445587 662704506 /nfs/dbraw/zinc/70/45/06/662704506.db2.gz TZWXXSPHIDCLTM-WHOHXGKFSA-N 1 1 321.381 -1.378 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001029452137 662704858 /nfs/dbraw/zinc/70/48/58/662704858.db2.gz ZZTQXDUWRZTTOG-AXFHLTTASA-N 1 1 306.366 -1.184 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)n1 ZINC000984544347 662705071 /nfs/dbraw/zinc/70/50/71/662705071.db2.gz JCSFVPMSWYSHHG-DBIOUOCHSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000984593346 662706232 /nfs/dbraw/zinc/70/62/32/662706232.db2.gz APGUOWVLJZCURT-ZKCHVHJHSA-N 1 1 306.334 -1.968 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC000984707960 662707348 /nfs/dbraw/zinc/70/73/48/662707348.db2.gz WOJSPTBHDYRHHZ-KYZUINATSA-N 1 1 318.341 -1.408 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@@H](CNCc3nnnn3C)C2)[nH]c1=O ZINC000984742204 662707673 /nfs/dbraw/zinc/70/76/73/662707673.db2.gz TUVZBXSSPCCGCU-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000896731795 662707785 /nfs/dbraw/zinc/70/77/85/662707785.db2.gz WSHMENWHSHUHHY-GFCCVEGCSA-N 1 1 318.443 -1.239 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC000984724656 662707868 /nfs/dbraw/zinc/70/78/68/662707868.db2.gz CCYHYKKSYPKMFH-IWSPIJDZSA-N 1 1 308.346 -2.124 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCS(C)(=O)=O)CC1 ZINC000727936848 662708024 /nfs/dbraw/zinc/70/80/24/662708024.db2.gz MFFDCRMLQFWHPX-UHFFFAOYSA-N 1 1 320.415 -1.506 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@]3(C)CCNC3=O)C2)n1 ZINC000984796062 662708285 /nfs/dbraw/zinc/70/82/85/662708285.db2.gz RAJFADVOAHTUJX-GPCCPHFNSA-N 1 1 321.385 -1.279 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)S1(=O)=O ZINC001029511057 662708464 /nfs/dbraw/zinc/70/84/64/662708464.db2.gz VTDMCWQWDNASLH-GRYCIOLGSA-N 1 1 317.411 -1.312 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)S1(=O)=O ZINC001029511057 662708467 /nfs/dbraw/zinc/70/84/67/662708467.db2.gz VTDMCWQWDNASLH-GRYCIOLGSA-N 1 1 317.411 -1.312 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000909548383 662708632 /nfs/dbraw/zinc/70/86/32/662708632.db2.gz FTFMRUYKQBFNSO-SLEUVZQESA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029552188 662709260 /nfs/dbraw/zinc/70/92/60/662709260.db2.gz UYYOVIHKZWAAHV-AOOOYVTPSA-N 1 1 318.337 -1.301 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029542442 662709365 /nfs/dbraw/zinc/70/93/65/662709365.db2.gz LNFOQWRDJQMXLE-TXEJJXNPSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1CCN(c2ccc(C(=O)NCCO)nn2)CC[N@@H+](C)CC1 ZINC000897098676 662709785 /nfs/dbraw/zinc/70/97/85/662709785.db2.gz SZMJQJGJPHOSIH-UHFFFAOYSA-N 1 1 322.413 -1.118 20 0 DAADMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000985253233 662710056 /nfs/dbraw/zinc/71/00/56/662710056.db2.gz DHMDVDVDHSTOMK-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000985253233 662710058 /nfs/dbraw/zinc/71/00/58/662710058.db2.gz DHMDVDVDHSTOMK-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)c(=O)n1C ZINC001029570355 662710079 /nfs/dbraw/zinc/71/00/79/662710079.db2.gz UMYNDHDAJZZFKI-RTXFEEFZSA-N 1 1 323.397 -1.054 20 0 DAADMO C[N@@H+](C1CCN(C(=O)CC(N)=O)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985349109 662710310 /nfs/dbraw/zinc/71/03/10/662710310.db2.gz QBXQOKAYNVOBAD-SNVBAGLBSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC001029641163 662710866 /nfs/dbraw/zinc/71/08/66/662710866.db2.gz CLMBZLSSESBLAF-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985435341 662710921 /nfs/dbraw/zinc/71/09/21/662710921.db2.gz ITDLHAHPFYFOBP-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000985432136 662710943 /nfs/dbraw/zinc/71/09/43/662710943.db2.gz DLPFVIWSNLPCBW-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001029641384 662710948 /nfs/dbraw/zinc/71/09/48/662710948.db2.gz HTJGJQHHQBNDCS-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)nn1 ZINC001029641384 662710950 /nfs/dbraw/zinc/71/09/50/662710950.db2.gz HTJGJQHHQBNDCS-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001029642223 662711125 /nfs/dbraw/zinc/71/11/25/662711125.db2.gz YRLFBHBHVJZKCR-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985411117 662711178 /nfs/dbraw/zinc/71/11/78/662711178.db2.gz MDTLOQQDYQXGBR-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985432859 662711215 /nfs/dbraw/zinc/71/12/15/662711215.db2.gz IJHBSSLMRISPES-NSHDSACASA-N 1 1 309.374 -1.140 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029736953 662711440 /nfs/dbraw/zinc/71/14/40/662711440.db2.gz FBGSQINEPPAFCU-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCCNC1=O ZINC001029737961 662711472 /nfs/dbraw/zinc/71/14/72/662711472.db2.gz QIKGCRRJSPDPQV-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCNC1=O ZINC001029737953 662711492 /nfs/dbraw/zinc/71/14/92/662711492.db2.gz QGNYQBNAWBUFGT-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001029736954 662711524 /nfs/dbraw/zinc/71/15/24/662711524.db2.gz FBGSQINEPPAFCU-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001029736910 662711559 /nfs/dbraw/zinc/71/15/59/662711559.db2.gz CXTPVQVDQKDREX-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001029736910 662711560 /nfs/dbraw/zinc/71/15/60/662711560.db2.gz CXTPVQVDQKDREX-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000985526486 662711929 /nfs/dbraw/zinc/71/19/29/662711929.db2.gz AKTZDIPOLKFLRX-UHFFFAOYSA-N 1 1 324.381 -1.066 20 0 DAADMO CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC000985550369 662712077 /nfs/dbraw/zinc/71/20/77/662712077.db2.gz OWYDETAVHNNTKD-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO CN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001029805533 662712096 /nfs/dbraw/zinc/71/20/96/662712096.db2.gz AHKUVRSBXGSCRA-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO CN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001029805541 662712233 /nfs/dbraw/zinc/71/22/33/662712233.db2.gz AHKUVRSBXGSCRA-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO Cn1cnn(CC(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)c1=O ZINC000985507007 662712280 /nfs/dbraw/zinc/71/22/80/662712280.db2.gz VRERXXFQAAPPCO-UHFFFAOYSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001029820221 662712744 /nfs/dbraw/zinc/71/27/44/662712744.db2.gz BJMYYEYJKZMKDW-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001029820221 662712745 /nfs/dbraw/zinc/71/27/45/662712745.db2.gz BJMYYEYJKZMKDW-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000985570709 662712762 /nfs/dbraw/zinc/71/27/62/662712762.db2.gz ITBKFHLAAIYIJV-UHFFFAOYSA-N 1 1 311.386 -2.174 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCCNC3=O)C2)n1 ZINC001029806993 662712900 /nfs/dbraw/zinc/71/29/00/662712900.db2.gz VVKQHMAJULTEBJ-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985579754 662712952 /nfs/dbraw/zinc/71/29/52/662712952.db2.gz WLCGDXGWSYJWCE-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCCNC3=O)C2)n1 ZINC001029806990 662713002 /nfs/dbraw/zinc/71/30/02/662713002.db2.gz VVKQHMAJULTEBJ-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985617928 662713232 /nfs/dbraw/zinc/71/32/32/662713232.db2.gz ODIZCJPYDDECLQ-QWRGUYRKSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985619471 662713383 /nfs/dbraw/zinc/71/33/83/662713383.db2.gz HBCXBSIAYBOCTL-UHFFFAOYSA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)[C@@H]1CCCNC1=O ZINC000985608791 662713413 /nfs/dbraw/zinc/71/34/13/662713413.db2.gz UQHCXWSGBYNDHL-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607933 662713429 /nfs/dbraw/zinc/71/34/29/662713429.db2.gz LNXHEDVBWMLHMA-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985647221 662713708 /nfs/dbraw/zinc/71/37/08/662713708.db2.gz LXMYVNMVKJSVFF-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCCO ZINC000947820667 662713756 /nfs/dbraw/zinc/71/37/56/662713756.db2.gz MQGKTXXYPAVVBR-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000985816478 662714139 /nfs/dbraw/zinc/71/41/39/662714139.db2.gz PMNJIRDFINIACL-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000985793872 662714174 /nfs/dbraw/zinc/71/41/74/662714174.db2.gz VWJNHKVDWGRYSD-JQWIXIFHSA-N 1 1 319.427 -1.018 20 0 DAADMO Cn1nc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)ccc1=O ZINC000985780113 662714234 /nfs/dbraw/zinc/71/42/34/662714234.db2.gz LNYYHFPFFXICHI-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000985780792 662714298 /nfs/dbraw/zinc/71/42/98/662714298.db2.gz GEBDEKNEWODUJT-NSHDSACASA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000985817837 662714319 /nfs/dbraw/zinc/71/43/19/662714319.db2.gz HJTXDRREGPFQPQ-NSHDSACASA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000985780788 662714333 /nfs/dbraw/zinc/71/43/33/662714333.db2.gz GEBDEKNEWODUJT-LLVKDONJSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CCn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001029874130 662714819 /nfs/dbraw/zinc/71/48/19/662714819.db2.gz GUXKKCXIZCCGQU-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCNC1=O ZINC001029874129 662714847 /nfs/dbraw/zinc/71/48/47/662714847.db2.gz GUXKKCXIZCCGQU-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985946156 662715069 /nfs/dbraw/zinc/71/50/69/662715069.db2.gz QNRFXHPHFMXLEY-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985946151 662715099 /nfs/dbraw/zinc/71/50/99/662715099.db2.gz QNRFXHPHFMXLEY-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1cnnn1 ZINC000985945325 662715139 /nfs/dbraw/zinc/71/51/39/662715139.db2.gz PKCUPDHVQMGOMW-ONGXEEELSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)[C@H]2C)[nH]1 ZINC000985959465 662715211 /nfs/dbraw/zinc/71/52/11/662715211.db2.gz RSNXKTOKQYJKRX-WCBMZHEXSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cncn1 ZINC000986006948 662715235 /nfs/dbraw/zinc/71/52/35/662715235.db2.gz XOQZPBACRWAFHJ-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CS(C)(=O)=O ZINC000986043864 662715370 /nfs/dbraw/zinc/71/53/70/662715370.db2.gz SGTSDBFKYJXEHI-MWLCHTKSSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CS(C)(=O)=O ZINC000986043863 662715377 /nfs/dbraw/zinc/71/53/77/662715377.db2.gz SGTSDBFKYJXEHI-KOLCDFICSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CS(C)(=O)=O ZINC000986037048 662715386 /nfs/dbraw/zinc/71/53/86/662715386.db2.gz AQCYMJRILKRISB-GXSJLCMTSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nccnc1N ZINC000986067502 662715570 /nfs/dbraw/zinc/71/55/70/662715570.db2.gz JTXYQSSQGRSSLZ-IUCAKERBSA-N 1 1 317.357 -1.025 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)CC(N)=O ZINC000986112523 662715801 /nfs/dbraw/zinc/71/58/01/662715801.db2.gz OIRLEZWHROPWPQ-WPRPVWTQSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CN=NC1=O ZINC000986182006 662715946 /nfs/dbraw/zinc/71/59/46/662715946.db2.gz HPCFTLPOUZABNW-GXSJLCMTSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cncn2)C1)[C@@H]1CCNC1=O ZINC001029900326 662716017 /nfs/dbraw/zinc/71/60/17/662716017.db2.gz SUYCIIDNSSJPHU-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986153126 662716095 /nfs/dbraw/zinc/71/60/95/662716095.db2.gz UWFNQNWTJZVMMB-BDAKNGLRSA-N 1 1 321.345 -1.714 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CCNC1=O ZINC001029933441 662716264 /nfs/dbraw/zinc/71/62/64/662716264.db2.gz FWBAWINGFZUZHG-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1ncn(C)n1 ZINC000986237138 662716521 /nfs/dbraw/zinc/71/65/21/662716521.db2.gz XSXYSFFUXOTAAM-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC000986275219 662716823 /nfs/dbraw/zinc/71/68/23/662716823.db2.gz CSNBFZOXWXJRCA-ONGXEEELSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986279466 662716884 /nfs/dbraw/zinc/71/68/84/662716884.db2.gz KSRBLOHBICENIT-IUCAKERBSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC000986275215 662716943 /nfs/dbraw/zinc/71/69/43/662716943.db2.gz CSNBFZOXWXJRCA-MWLCHTKSSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986279462 662716993 /nfs/dbraw/zinc/71/69/93/662716993.db2.gz KSRBLOHBICENIT-DTWKUNHWSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1nccn1 ZINC000986331041 662717249 /nfs/dbraw/zinc/71/72/49/662717249.db2.gz CVWORTVABDRDEM-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1nccn1 ZINC000986331043 662717394 /nfs/dbraw/zinc/71/73/94/662717394.db2.gz CVWORTVABDRDEM-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000986583035 662718138 /nfs/dbraw/zinc/71/81/38/662718138.db2.gz IPEKJCPWXATJKW-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986655774 662718402 /nfs/dbraw/zinc/71/84/02/662718402.db2.gz JVRSSSPIFZFXBX-YUMQZZPRSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C(N)=O ZINC000986784221 662718964 /nfs/dbraw/zinc/71/89/64/662718964.db2.gz YAIZVRJUGSADPA-DTWKUNHWSA-N 1 1 309.374 -1.008 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C(N)=O ZINC000986784223 662718973 /nfs/dbraw/zinc/71/89/73/662718973.db2.gz YAIZVRJUGSADPA-IUCAKERBSA-N 1 1 309.374 -1.008 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986674043 662719015 /nfs/dbraw/zinc/71/90/15/662719015.db2.gz ZIARVTWSGXDNJH-JQWIXIFHSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986749619 662719032 /nfs/dbraw/zinc/71/90/32/662719032.db2.gz QZCHUKHIXDIMTB-IUCAKERBSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986659641 662719235 /nfs/dbraw/zinc/71/92/35/662719235.db2.gz XCSHKIZXNANXGZ-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249999 662721596 /nfs/dbraw/zinc/72/15/96/662721596.db2.gz QZVAOFAYWVLCJL-VHSXEESVSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987248492 662721601 /nfs/dbraw/zinc/72/16/01/662721601.db2.gz KPPJHSQWNULZSX-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987250001 662721737 /nfs/dbraw/zinc/72/17/37/662721737.db2.gz QZVAOFAYWVLCJL-ZJUUUORDSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCn1cnnn1 ZINC000987249490 662721906 /nfs/dbraw/zinc/72/19/06/662721906.db2.gz PLMDYRIQDZASOE-JQWIXIFHSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)Cn1cnnn1 ZINC000987447376 662722572 /nfs/dbraw/zinc/72/25/72/662722572.db2.gz CQBYKGOZXKOHCG-GRYCIOLGSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1cnnn1 ZINC000988013053 662723977 /nfs/dbraw/zinc/72/39/77/662723977.db2.gz ZDRFKEKNTJQWSX-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cnnn1 ZINC000987990208 662723997 /nfs/dbraw/zinc/72/39/97/662723997.db2.gz DPXLGBFILDVAQX-BDAKNGLRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000988005641 662724012 /nfs/dbraw/zinc/72/40/12/662724012.db2.gz PQVSRBTULIGESV-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1cnnn1 ZINC000988013050 662724114 /nfs/dbraw/zinc/72/41/14/662724114.db2.gz ZDRFKEKNTJQWSX-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CS(C)(=O)=O ZINC000988213342 662724893 /nfs/dbraw/zinc/72/48/93/662724893.db2.gz CEKKWSQCVYZRAG-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CS(C)(=O)=O ZINC000988214553 662724993 /nfs/dbraw/zinc/72/49/93/662724993.db2.gz FHIVHSXKUDRKEX-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000988285428 662725732 /nfs/dbraw/zinc/72/57/32/662725732.db2.gz KVLIVIWLZNSHOA-MNOVXSKESA-N 1 1 312.370 -1.891 20 0 DAADMO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000988285428 662725730 /nfs/dbraw/zinc/72/57/30/662725730.db2.gz KVLIVIWLZNSHOA-MNOVXSKESA-N 1 1 312.370 -1.891 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1)C1CCC1 ZINC000937661149 662726893 /nfs/dbraw/zinc/72/68/93/662726893.db2.gz PSOMJRCAAJBVOP-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCOCC1 ZINC000988655274 662729343 /nfs/dbraw/zinc/72/93/43/662729343.db2.gz NXDAVVSRWFPEEJ-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663879 662729859 /nfs/dbraw/zinc/72/98/59/662729859.db2.gz DRUAXILVYGGROZ-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937752866 662730178 /nfs/dbraw/zinc/73/01/78/662730178.db2.gz NBRIUSSKQXGCDV-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000937756824 662730258 /nfs/dbraw/zinc/73/02/58/662730258.db2.gz SDCQCWUCJFEFJJ-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CN1CN=NC1=O ZINC000988661348 662730303 /nfs/dbraw/zinc/73/03/03/662730303.db2.gz HVOKFKXSZLZPSD-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937752876 662730312 /nfs/dbraw/zinc/73/03/12/662730312.db2.gz NBRIUSSKQXGCDV-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CN1CN=NC1=O ZINC000988666123 662730358 /nfs/dbraw/zinc/73/03/58/662730358.db2.gz JCEOUXZTCQZSJR-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937777536 662730431 /nfs/dbraw/zinc/73/04/31/662730431.db2.gz BIDOAMNCPVTZFM-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937777536 662730433 /nfs/dbraw/zinc/73/04/33/662730433.db2.gz BIDOAMNCPVTZFM-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937779685 662730804 /nfs/dbraw/zinc/73/08/04/662730804.db2.gz OPJGFSAVZRMXNR-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937779685 662730807 /nfs/dbraw/zinc/73/08/07/662730807.db2.gz OPJGFSAVZRMXNR-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CN1CN=NC1=O ZINC000988668869 662730894 /nfs/dbraw/zinc/73/08/94/662730894.db2.gz VHVCTQGXLZWJGU-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CN1CN=NC1=O ZINC000988668871 662731015 /nfs/dbraw/zinc/73/10/15/662731015.db2.gz VHVCTQGXLZWJGU-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937779683 662731039 /nfs/dbraw/zinc/73/10/39/662731039.db2.gz OPJGFSAVZRMXNR-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937779683 662731042 /nfs/dbraw/zinc/73/10/42/662731042.db2.gz OPJGFSAVZRMXNR-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937778731 662731049 /nfs/dbraw/zinc/73/10/49/662731049.db2.gz JUOAPDNNSAREEL-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937778731 662731052 /nfs/dbraw/zinc/73/10/52/662731052.db2.gz JUOAPDNNSAREEL-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937778920 662731084 /nfs/dbraw/zinc/73/10/84/662731084.db2.gz VSGIBALKUDOPIW-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937778920 662731086 /nfs/dbraw/zinc/73/10/86/662731086.db2.gz VSGIBALKUDOPIW-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000937778066 662731107 /nfs/dbraw/zinc/73/11/07/662731107.db2.gz CKWWHCKTMCECAX-UWVGGRQHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000937778066 662731109 /nfs/dbraw/zinc/73/11/09/662731109.db2.gz CKWWHCKTMCECAX-UWVGGRQHSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937889444 662732999 /nfs/dbraw/zinc/73/29/99/662732999.db2.gz RZMJJWKKLIRWQR-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937889444 662733001 /nfs/dbraw/zinc/73/30/01/662733001.db2.gz RZMJJWKKLIRWQR-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1ccnn1 ZINC000988713385 662734686 /nfs/dbraw/zinc/73/46/86/662734686.db2.gz OYTONUNIFFBVKR-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937902735 662734985 /nfs/dbraw/zinc/73/49/85/662734985.db2.gz MMVQIUFFJOAMRY-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937902735 662734988 /nfs/dbraw/zinc/73/49/88/662734988.db2.gz MMVQIUFFJOAMRY-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937902736 662735157 /nfs/dbraw/zinc/73/51/57/662735157.db2.gz MMVQIUFFJOAMRY-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937902736 662735160 /nfs/dbraw/zinc/73/51/60/662735160.db2.gz MMVQIUFFJOAMRY-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988720192 662735276 /nfs/dbraw/zinc/73/52/76/662735276.db2.gz QAUCAMNZDMNLBQ-RKDXNWHRSA-N 1 1 321.341 -1.105 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000937977660 662736430 /nfs/dbraw/zinc/73/64/30/662736430.db2.gz UMACTUDRSOITIA-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937977487 662736498 /nfs/dbraw/zinc/73/64/98/662736498.db2.gz CNMSGADMYSXRPQ-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937975098 662736687 /nfs/dbraw/zinc/73/66/87/662736687.db2.gz KUZLUBWKKLDXPL-SRVKXCTJSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938004097 662736960 /nfs/dbraw/zinc/73/69/60/662736960.db2.gz SUGNWMQEBQWNAU-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938000197 662737059 /nfs/dbraw/zinc/73/70/59/662737059.db2.gz GROJVXGQAOMVSO-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938000197 662737060 /nfs/dbraw/zinc/73/70/60/662737060.db2.gz GROJVXGQAOMVSO-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938000198 662737108 /nfs/dbraw/zinc/73/71/08/662737108.db2.gz GROJVXGQAOMVSO-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938000198 662737110 /nfs/dbraw/zinc/73/71/10/662737110.db2.gz GROJVXGQAOMVSO-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938000901 662737305 /nfs/dbraw/zinc/73/73/05/662737305.db2.gz ZPQQCEUHEUKBJL-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1ncnn1 ZINC000988840655 662739443 /nfs/dbraw/zinc/73/94/43/662739443.db2.gz XRJJCUDPROESOZ-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000988848035 662739459 /nfs/dbraw/zinc/73/94/59/662739459.db2.gz DASZMGHHBAGFNQ-PSASIEDQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000989256288 662742580 /nfs/dbraw/zinc/74/25/80/662742580.db2.gz KKXDBKWTZRJGSC-SDDRHHMPSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000929110840 662742771 /nfs/dbraw/zinc/74/27/71/662742771.db2.gz RCACQRIMLQFQLR-STQMWFEESA-N 1 1 301.387 -1.796 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)c1nnn(C)n1 ZINC000989308929 662743251 /nfs/dbraw/zinc/74/32/51/662743251.db2.gz RGCLZWLHGVHFTN-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989309216 662743256 /nfs/dbraw/zinc/74/32/56/662743256.db2.gz SSUQGVZKGBDYNR-YUMQZZPRSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000989310258 662743307 /nfs/dbraw/zinc/74/33/07/662743307.db2.gz ZRBJNRDARPOFAS-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000729620845 662743954 /nfs/dbraw/zinc/74/39/54/662743954.db2.gz VZLNPTQUBUCFRI-SRVKXCTJSA-N 1 1 312.370 -1.255 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989365172 662743968 /nfs/dbraw/zinc/74/39/68/662743968.db2.gz LNSZYYPTVLOMKC-BDAKNGLRSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989365175 662744004 /nfs/dbraw/zinc/74/40/04/662744004.db2.gz LNSZYYPTVLOMKC-RKDXNWHRSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC000989477873 662747148 /nfs/dbraw/zinc/74/71/48/662747148.db2.gz NYJUHWZDKTUODI-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC[N@H+](CCCO)CC1 ZINC000989477931 662747181 /nfs/dbraw/zinc/74/71/81/662747181.db2.gz QPIWECLFZSVCDX-UHFFFAOYSA-N 1 1 320.353 -1.052 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2nc[nH]n2)CC1 ZINC000898323443 662747437 /nfs/dbraw/zinc/74/74/37/662747437.db2.gz ISWJSCQBSDWZGT-LBPRGKRZSA-N 1 1 305.386 -1.157 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CC(=O)NC1=O ZINC000989567808 662747766 /nfs/dbraw/zinc/74/77/66/662747766.db2.gz GFGHOXHWWVAQFD-BDAKNGLRSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CC(=O)NC1=O ZINC000989567810 662747994 /nfs/dbraw/zinc/74/79/94/662747994.db2.gz GFGHOXHWWVAQFD-DTWKUNHWSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)n1 ZINC000989549051 662748005 /nfs/dbraw/zinc/74/80/05/662748005.db2.gz DWDCOSQVCPGQBR-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000989626307 662749460 /nfs/dbraw/zinc/74/94/60/662749460.db2.gz XHZOQCUQMOFELD-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989632420 662749463 /nfs/dbraw/zinc/74/94/63/662749463.db2.gz LVZVUSPHGITOAY-LLVKDONJSA-N 1 1 322.365 -1.442 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989632420 662749464 /nfs/dbraw/zinc/74/94/64/662749464.db2.gz LVZVUSPHGITOAY-LLVKDONJSA-N 1 1 322.365 -1.442 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CCn1cnnn1 ZINC000989600025 662749725 /nfs/dbraw/zinc/74/97/25/662749725.db2.gz DQXUUENNSCVJRH-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCn1cnnn1 ZINC000989602180 662749741 /nfs/dbraw/zinc/74/97/41/662749741.db2.gz SDMFRERSLMGTSD-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633262 662749864 /nfs/dbraw/zinc/74/98/64/662749864.db2.gz YVZHLVJTDRHXNJ-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989633262 662749866 /nfs/dbraw/zinc/74/98/66/662749866.db2.gz YVZHLVJTDRHXNJ-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989658203 662750304 /nfs/dbraw/zinc/75/03/04/662750304.db2.gz UHFAVNISUWIKKU-WDEREUQCSA-N 1 1 321.385 -1.049 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989806661 662751607 /nfs/dbraw/zinc/75/16/07/662751607.db2.gz JZISCPBJPIYZMW-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989806661 662751609 /nfs/dbraw/zinc/75/16/09/662751609.db2.gz JZISCPBJPIYZMW-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cncn1 ZINC000989753313 662751701 /nfs/dbraw/zinc/75/17/01/662751701.db2.gz VBVHJJCXJHVUJP-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989938884 662751954 /nfs/dbraw/zinc/75/19/54/662751954.db2.gz HOLRKYPIFDQWCM-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989938883 662752042 /nfs/dbraw/zinc/75/20/42/662752042.db2.gz HOLRKYPIFDQWCM-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989939846 662752047 /nfs/dbraw/zinc/75/20/47/662752047.db2.gz NEGOLBXCBRGKRD-GBIKHYSHSA-N 1 1 307.358 -1.340 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989940588 662752057 /nfs/dbraw/zinc/75/20/57/662752057.db2.gz XPNDFOAQMGWNTA-WDMOLILDSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989939849 662752101 /nfs/dbraw/zinc/75/21/01/662752101.db2.gz NEGOLBXCBRGKRD-GIPNMCIBSA-N 1 1 307.358 -1.340 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC000989938460 662752176 /nfs/dbraw/zinc/75/21/76/662752176.db2.gz CZHXBEZUNDGWHB-MJVIPROJSA-N 1 1 319.369 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989938885 662752244 /nfs/dbraw/zinc/75/22/44/662752244.db2.gz HOLRKYPIFDQWCM-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014507618 662753688 /nfs/dbraw/zinc/75/36/88/662753688.db2.gz KFIIPLVIOYDNAT-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990147256 662754444 /nfs/dbraw/zinc/75/44/44/662754444.db2.gz LTCXTKQWQFSKLI-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990147256 662754445 /nfs/dbraw/zinc/75/44/45/662754445.db2.gz LTCXTKQWQFSKLI-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990181625 662754958 /nfs/dbraw/zinc/75/49/58/662754958.db2.gz SRZCDNBSFSHPOC-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cn1cnnn1)NC1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000990187281 662755363 /nfs/dbraw/zinc/75/53/63/662755363.db2.gz CZLCFSVMZFYFQE-NXEZZACHSA-N 1 1 316.325 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000990182894 662755413 /nfs/dbraw/zinc/75/54/13/662755413.db2.gz MCERIKHUWQJWRW-AWEZNQCLSA-N 1 1 319.369 -1.514 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990188431 662755932 /nfs/dbraw/zinc/75/59/32/662755932.db2.gz IMAPLZHUMNELNY-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990189949 662756050 /nfs/dbraw/zinc/75/60/50/662756050.db2.gz FZPALNBFCKTGIF-ONGXEEELSA-N 1 1 307.358 -1.802 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990198935 662756917 /nfs/dbraw/zinc/75/69/17/662756917.db2.gz YBVKNFYCIRJUQR-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990198935 662756918 /nfs/dbraw/zinc/75/69/18/662756918.db2.gz YBVKNFYCIRJUQR-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990327689 662759314 /nfs/dbraw/zinc/75/93/14/662759314.db2.gz KWQKFJVKYJKOQV-RNCFNFMXSA-N 1 1 308.342 -1.418 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990327689 662759317 /nfs/dbraw/zinc/75/93/17/662759317.db2.gz KWQKFJVKYJKOQV-RNCFNFMXSA-N 1 1 308.342 -1.418 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990327694 662759383 /nfs/dbraw/zinc/75/93/83/662759383.db2.gz KWQKFJVKYJKOQV-ZANVPECISA-N 1 1 308.342 -1.418 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990327694 662759386 /nfs/dbraw/zinc/75/93/86/662759386.db2.gz KWQKFJVKYJKOQV-ZANVPECISA-N 1 1 308.342 -1.418 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990331831 662759927 /nfs/dbraw/zinc/75/99/27/662759927.db2.gz UVHLQVLVEFWGSB-BFVZDQMLSA-N 1 1 322.369 -1.029 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990486764 662762794 /nfs/dbraw/zinc/76/27/94/662762794.db2.gz PFFVNWMWIOUGIC-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990485010 662763022 /nfs/dbraw/zinc/76/30/22/662763022.db2.gz BDEQDXCGOYHJLE-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990509684 662764178 /nfs/dbraw/zinc/76/41/78/662764178.db2.gz ZVORZXXPKLDDHK-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000990518738 662764255 /nfs/dbraw/zinc/76/42/55/662764255.db2.gz SDMVSNFSIONEIN-IAQYHMDHSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990509689 662764372 /nfs/dbraw/zinc/76/43/72/662764372.db2.gz ZVORZXXPKLDDHK-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000990511888 662764444 /nfs/dbraw/zinc/76/44/44/662764444.db2.gz WMIUXHPHDLYRSW-QWRGUYRKSA-N 1 1 309.370 -1.569 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000990518734 662764589 /nfs/dbraw/zinc/76/45/89/662764589.db2.gz SDMVSNFSIONEIN-ABAIWWIYSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)n(C)c1=O ZINC000990512368 662764664 /nfs/dbraw/zinc/76/46/64/662764664.db2.gz ZQWGXSNXXBHUFM-NSHDSACASA-N 1 1 321.381 -1.241 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000990512610 662764688 /nfs/dbraw/zinc/76/46/88/662764688.db2.gz DIDCZJOMWUBVKK-LLVKDONJSA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990543071 662765298 /nfs/dbraw/zinc/76/52/98/662765298.db2.gz RVFZVENUUAKOEY-JTQLQIEISA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990543071 662765301 /nfs/dbraw/zinc/76/53/01/662765301.db2.gz RVFZVENUUAKOEY-JTQLQIEISA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)C1 ZINC000990615163 662766842 /nfs/dbraw/zinc/76/68/42/662766842.db2.gz AQFRQERYBYEZAH-GFCCVEGCSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)C1 ZINC000990615163 662766846 /nfs/dbraw/zinc/76/68/46/662766846.db2.gz AQFRQERYBYEZAH-GFCCVEGCSA-N 1 1 311.382 -1.051 20 0 DAADMO COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC000990618658 662767005 /nfs/dbraw/zinc/76/70/05/662767005.db2.gz RWHURQQEMGPPJW-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC000990618658 662767007 /nfs/dbraw/zinc/76/70/07/662767007.db2.gz RWHURQQEMGPPJW-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC000990615533 662767079 /nfs/dbraw/zinc/76/70/79/662767079.db2.gz CQKKYINYCNONLY-RYUDHWBXSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC000990615533 662767082 /nfs/dbraw/zinc/76/70/82/662767082.db2.gz CQKKYINYCNONLY-RYUDHWBXSA-N 1 1 313.354 -1.941 20 0 DAADMO COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC000990618655 662767220 /nfs/dbraw/zinc/76/72/20/662767220.db2.gz RWHURQQEMGPPJW-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO COc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC000990618655 662767223 /nfs/dbraw/zinc/76/72/23/662767223.db2.gz RWHURQQEMGPPJW-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO Cn1nccc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990618642 662767320 /nfs/dbraw/zinc/76/73/20/662767320.db2.gz ROYITIREASLJJX-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1nccc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990618642 662767322 /nfs/dbraw/zinc/76/73/22/662767322.db2.gz ROYITIREASLJJX-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000990617135 662767330 /nfs/dbraw/zinc/76/73/30/662767330.db2.gz MDMHXLPPZKLQMM-SNVBAGLBSA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000990617135 662767331 /nfs/dbraw/zinc/76/73/31/662767331.db2.gz MDMHXLPPZKLQMM-SNVBAGLBSA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ccon3)C2)C1 ZINC000990615303 662767334 /nfs/dbraw/zinc/76/73/34/662767334.db2.gz BSFUWFZCRYCXQM-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ccon3)C2)C1 ZINC000990615303 662767335 /nfs/dbraw/zinc/76/73/35/662767335.db2.gz BSFUWFZCRYCXQM-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO Cc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c[nH]1 ZINC000990615225 662767363 /nfs/dbraw/zinc/76/73/63/662767363.db2.gz AYJCZINLSPNGDO-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c[nH]1 ZINC000990615225 662767364 /nfs/dbraw/zinc/76/73/64/662767364.db2.gz AYJCZINLSPNGDO-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cccn3)C2)C1 ZINC000990617628 662767375 /nfs/dbraw/zinc/76/73/75/662767375.db2.gz ODXUMUACMXTDSD-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCn3cccn3)C2)C1 ZINC000990617628 662767378 /nfs/dbraw/zinc/76/73/78/662767378.db2.gz ODXUMUACMXTDSD-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990616059 662767507 /nfs/dbraw/zinc/76/75/07/662767507.db2.gz HGKHMKGNTXVSEY-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000990616059 662767509 /nfs/dbraw/zinc/76/75/09/662767509.db2.gz HGKHMKGNTXVSEY-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990615265 662767608 /nfs/dbraw/zinc/76/76/08/662767608.db2.gz BCJGYLNBEWFDJU-JQWIXIFHSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990615265 662767609 /nfs/dbraw/zinc/76/76/09/662767609.db2.gz BCJGYLNBEWFDJU-JQWIXIFHSA-N 1 1 322.369 -1.503 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990616062 662767766 /nfs/dbraw/zinc/76/77/66/662767766.db2.gz HGKHMKGNTXVSEY-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990616062 662767767 /nfs/dbraw/zinc/76/77/67/662767767.db2.gz HGKHMKGNTXVSEY-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC000990615531 662767871 /nfs/dbraw/zinc/76/78/71/662767871.db2.gz CQKKYINYCNONLY-NWDGAFQWSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC000990615531 662767876 /nfs/dbraw/zinc/76/78/76/662767876.db2.gz CQKKYINYCNONLY-NWDGAFQWSA-N 1 1 313.354 -1.941 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nnn1C ZINC000990619684 662768168 /nfs/dbraw/zinc/76/81/68/662768168.db2.gz XVFPKORRMQAMRM-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nnn1C ZINC000990619684 662768170 /nfs/dbraw/zinc/76/81/70/662768170.db2.gz XVFPKORRMQAMRM-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990622962 662768197 /nfs/dbraw/zinc/76/81/97/662768197.db2.gz LAJMWDSSFPHPNE-SECBINFHSA-N 1 1 309.330 -2.519 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990622962 662768200 /nfs/dbraw/zinc/76/82/00/662768200.db2.gz LAJMWDSSFPHPNE-SECBINFHSA-N 1 1 309.330 -2.519 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000990618054 662768244 /nfs/dbraw/zinc/76/82/44/662768244.db2.gz QPDBZVAVMNGADL-ZJUUUORDSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000990618054 662768245 /nfs/dbraw/zinc/76/82/45/662768245.db2.gz QPDBZVAVMNGADL-ZJUUUORDSA-N 1 1 312.326 -2.248 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990622975 662768276 /nfs/dbraw/zinc/76/82/76/662768276.db2.gz LCPRCAKUTJGMQG-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990622975 662768277 /nfs/dbraw/zinc/76/82/77/662768277.db2.gz LCPRCAKUTJGMQG-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO Cn1nccc1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990620237 662768331 /nfs/dbraw/zinc/76/83/31/662768331.db2.gz ZYQZOSFVBHZCER-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1nccc1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990620237 662768334 /nfs/dbraw/zinc/76/83/34/662768334.db2.gz ZYQZOSFVBHZCER-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nnn1C ZINC000990619685 662768454 /nfs/dbraw/zinc/76/84/54/662768454.db2.gz XVFPKORRMQAMRM-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nnn1C ZINC000990619685 662768456 /nfs/dbraw/zinc/76/84/56/662768456.db2.gz XVFPKORRMQAMRM-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000990622571 662768516 /nfs/dbraw/zinc/76/85/16/662768516.db2.gz JVBHXZCWMQCUDE-NVBFEUDRSA-N 1 1 309.366 -1.320 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000990622571 662768518 /nfs/dbraw/zinc/76/85/18/662768518.db2.gz JVBHXZCWMQCUDE-NVBFEUDRSA-N 1 1 309.366 -1.320 20 0 DAADMO Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990620970 662768554 /nfs/dbraw/zinc/76/85/54/662768554.db2.gz CZBLBTDLOOVXHK-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990620970 662768556 /nfs/dbraw/zinc/76/85/56/662768556.db2.gz CZBLBTDLOOVXHK-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990632163 662768807 /nfs/dbraw/zinc/76/88/07/662768807.db2.gz RMBNLJIFKPMBJW-YPMHNXCESA-N 1 1 310.398 -1.404 20 0 DAADMO Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990632187 662768834 /nfs/dbraw/zinc/76/88/34/662768834.db2.gz ROMTZOFMMDZYFH-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990632187 662768838 /nfs/dbraw/zinc/76/88/38/662768838.db2.gz ROMTZOFMMDZYFH-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000990628808 662768870 /nfs/dbraw/zinc/76/88/70/662768870.db2.gz HALGSIXBHINGSS-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000990628808 662768871 /nfs/dbraw/zinc/76/88/71/662768871.db2.gz HALGSIXBHINGSS-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000990629882 662768891 /nfs/dbraw/zinc/76/88/91/662768891.db2.gz KRHLOCOCFGIOEW-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000990629882 662768892 /nfs/dbraw/zinc/76/88/92/662768892.db2.gz KRHLOCOCFGIOEW-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990634754 662768904 /nfs/dbraw/zinc/76/89/04/662768904.db2.gz ZJHFRGVEUYLUFF-SNVBAGLBSA-N 1 1 323.353 -1.305 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990634754 662768905 /nfs/dbraw/zinc/76/89/05/662768905.db2.gz ZJHFRGVEUYLUFF-SNVBAGLBSA-N 1 1 323.353 -1.305 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000990631516 662769024 /nfs/dbraw/zinc/76/90/24/662769024.db2.gz QHXKQWVXXOJOOR-UWVGGRQHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000990631516 662769025 /nfs/dbraw/zinc/76/90/25/662769025.db2.gz QHXKQWVXXOJOOR-UWVGGRQHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000990628298 662769033 /nfs/dbraw/zinc/76/90/33/662769033.db2.gz GNCNAPLMXNHEAF-NSHDSACASA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000990628298 662769035 /nfs/dbraw/zinc/76/90/35/662769035.db2.gz GNCNAPLMXNHEAF-NSHDSACASA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000990631518 662769042 /nfs/dbraw/zinc/76/90/42/662769042.db2.gz QHXKQWVXXOJOOR-VHSXEESVSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000990631518 662769043 /nfs/dbraw/zinc/76/90/43/662769043.db2.gz QHXKQWVXXOJOOR-VHSXEESVSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000990634411 662769088 /nfs/dbraw/zinc/76/90/88/662769088.db2.gz YEFFRQZNCXABRL-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000990634411 662769090 /nfs/dbraw/zinc/76/90/90/662769090.db2.gz YEFFRQZNCXABRL-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000990632223 662769287 /nfs/dbraw/zinc/76/92/87/662769287.db2.gz RXUDBPKXEDMKOP-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000990632223 662769289 /nfs/dbraw/zinc/76/92/89/662769289.db2.gz RXUDBPKXEDMKOP-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990630340 662769381 /nfs/dbraw/zinc/76/93/81/662769381.db2.gz MYHJGPFYPLFAQV-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990630340 662769384 /nfs/dbraw/zinc/76/93/84/662769384.db2.gz MYHJGPFYPLFAQV-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cnoc3)C2)C1 ZINC000990627208 662769390 /nfs/dbraw/zinc/76/93/90/662769390.db2.gz YDDWLOXIIOZUSC-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cnoc3)C2)C1 ZINC000990627208 662769393 /nfs/dbraw/zinc/76/93/93/662769393.db2.gz YDDWLOXIIOZUSC-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000990632123 662769474 /nfs/dbraw/zinc/76/94/74/662769474.db2.gz RHULJZIYNLABGN-SNVBAGLBSA-N 1 1 311.317 -1.180 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC000990632123 662769478 /nfs/dbraw/zinc/76/94/78/662769478.db2.gz RHULJZIYNLABGN-SNVBAGLBSA-N 1 1 311.317 -1.180 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990634751 662769527 /nfs/dbraw/zinc/76/95/27/662769527.db2.gz ZJHFRGVEUYLUFF-JTQLQIEISA-N 1 1 323.353 -1.305 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990634751 662769530 /nfs/dbraw/zinc/76/95/30/662769530.db2.gz ZJHFRGVEUYLUFF-JTQLQIEISA-N 1 1 323.353 -1.305 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000990632227 662769602 /nfs/dbraw/zinc/76/96/02/662769602.db2.gz RXUDBPKXEDMKOP-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000990632227 662769605 /nfs/dbraw/zinc/76/96/05/662769605.db2.gz RXUDBPKXEDMKOP-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000990630950 662769634 /nfs/dbraw/zinc/76/96/34/662769634.db2.gz NYVUYTBNZXENNG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000990630950 662769635 /nfs/dbraw/zinc/76/96/35/662769635.db2.gz NYVUYTBNZXENNG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000990629877 662769637 /nfs/dbraw/zinc/76/96/37/662769637.db2.gz KRHLOCOCFGIOEW-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000990629877 662769639 /nfs/dbraw/zinc/76/96/39/662769639.db2.gz KRHLOCOCFGIOEW-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1cncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990634832 662769772 /nfs/dbraw/zinc/76/97/72/662769772.db2.gz ZRUOJHUOAQEELU-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990634832 662769776 /nfs/dbraw/zinc/76/97/76/662769776.db2.gz ZRUOJHUOAQEELU-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1=O ZINC001014616866 662769952 /nfs/dbraw/zinc/76/99/52/662769952.db2.gz MSXKTYWJWJXNGN-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990694001 662770228 /nfs/dbraw/zinc/77/02/28/662770228.db2.gz YYWKSIQGZWMGQS-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)O1 ZINC000938183047 662770462 /nfs/dbraw/zinc/77/04/62/662770462.db2.gz VFQRXZVGUNPIGD-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)O1 ZINC000938183047 662770463 /nfs/dbraw/zinc/77/04/63/662770463.db2.gz VFQRXZVGUNPIGD-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990711921 662770698 /nfs/dbraw/zinc/77/06/98/662770698.db2.gz NVEMJYVDYFFZLW-COPLHBTASA-N 1 1 321.385 -1.079 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898491998 662770919 /nfs/dbraw/zinc/77/09/19/662770919.db2.gz QCDTZFVZJQVOJJ-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898491998 662770922 /nfs/dbraw/zinc/77/09/22/662770922.db2.gz QCDTZFVZJQVOJJ-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990711923 662770978 /nfs/dbraw/zinc/77/09/78/662770978.db2.gz NVEMJYVDYFFZLW-MISXGVKJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCNC3=O)CC[C@@H]21 ZINC000898692796 662771307 /nfs/dbraw/zinc/77/13/07/662771307.db2.gz YGUXDOAYTYJTAC-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)C(=O)NCCN1CCNC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000898698449 662771379 /nfs/dbraw/zinc/77/13/79/662771379.db2.gz MHHZNEQBJOHQLE-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC000990764620 662771542 /nfs/dbraw/zinc/77/15/42/662771542.db2.gz HCODSZMRZPNLII-AGIUHOORSA-N 1 1 322.369 -1.503 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC000990764620 662771545 /nfs/dbraw/zinc/77/15/45/662771545.db2.gz HCODSZMRZPNLII-AGIUHOORSA-N 1 1 322.369 -1.503 20 0 DAADMO Cn1cc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001038133009 662771626 /nfs/dbraw/zinc/77/16/26/662771626.db2.gz AOHXAZIXLHXTMI-OLZOCXBDSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001038133009 662771628 /nfs/dbraw/zinc/77/16/28/662771628.db2.gz AOHXAZIXLHXTMI-OLZOCXBDSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001038133010 662771646 /nfs/dbraw/zinc/77/16/46/662771646.db2.gz AOHXAZIXLHXTMI-QWHCGFSZSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001038133010 662771648 /nfs/dbraw/zinc/77/16/48/662771648.db2.gz AOHXAZIXLHXTMI-QWHCGFSZSA-N 1 1 308.386 -1.164 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061022 662771732 /nfs/dbraw/zinc/77/17/32/662771732.db2.gz CUAORFCMWQDWJB-UHFFFAOYSA-N 1 1 300.359 -1.130 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061022 662771733 /nfs/dbraw/zinc/77/17/33/662771733.db2.gz CUAORFCMWQDWJB-UHFFFAOYSA-N 1 1 300.359 -1.130 20 0 DAADMO O=C(NCCN1CCC2(C1)OCCO2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000899060141 662771746 /nfs/dbraw/zinc/77/17/46/662771746.db2.gz FHKRODRLEYUCLP-CQSZACIVSA-N 1 1 324.425 -1.059 20 0 DAADMO O=C(NCCN1CCC2(C1)OCCO2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000899060139 662771859 /nfs/dbraw/zinc/77/18/59/662771859.db2.gz FHKRODRLEYUCLP-AWEZNQCLSA-N 1 1 324.425 -1.059 20 0 DAADMO Cc1cc(CC(=O)NC2CN(C(=O)[C@H]3CN(C)CCO3)C2)[nH]n1 ZINC000990773524 662772246 /nfs/dbraw/zinc/77/22/46/662772246.db2.gz CPDOSXSKIBFHOP-CYBMUJFWSA-N 1 1 321.381 -1.082 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1=O ZINC001014639198 662772996 /nfs/dbraw/zinc/77/29/96/662772996.db2.gz WWEQYDQEVXSJTJ-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000990795869 662773570 /nfs/dbraw/zinc/77/35/70/662773570.db2.gz IAMBVVHAXYBIAJ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899978167 662775848 /nfs/dbraw/zinc/77/58/48/662775848.db2.gz VPCVAUYEDXCRCB-IUODEOHRSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000899987497 662775857 /nfs/dbraw/zinc/77/58/57/662775857.db2.gz SKTLHYKFNPZUCS-CZUORRHYSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990822722 662775960 /nfs/dbraw/zinc/77/59/60/662775960.db2.gz GJJXIKPUUMYGDW-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990822722 662775961 /nfs/dbraw/zinc/77/59/61/662775961.db2.gz GJJXIKPUUMYGDW-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000900100248 662776284 /nfs/dbraw/zinc/77/62/84/662776284.db2.gz BWLTZWNSRSKKOP-WCQYABFASA-N 1 1 319.427 -1.065 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000900191485 662776536 /nfs/dbraw/zinc/77/65/36/662776536.db2.gz ASIDWDUNTBWIQK-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900452911 662777514 /nfs/dbraw/zinc/77/75/14/662777514.db2.gz PVTXTYXGLPNJPV-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCCN2CCCS2(=O)=O)C1 ZINC000900436644 662777762 /nfs/dbraw/zinc/77/77/62/662777762.db2.gz NULOFPOEWYEYQK-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900599003 662778067 /nfs/dbraw/zinc/77/80/67/662778067.db2.gz BTLXTAIDZFCMBR-UHFFFAOYSA-N 1 1 319.427 -1.207 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCCN(CC(N)=O)CC2)C1 ZINC000900566315 662778271 /nfs/dbraw/zinc/77/82/71/662778271.db2.gz RBDVWRLQEPLOME-HNNXBMFYSA-N 1 1 312.414 -1.147 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@@H]3CC(=O)N3)CC2)CC1 ZINC000900614775 662778562 /nfs/dbraw/zinc/77/85/62/662778562.db2.gz HWFNMJABFVZJLD-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900641907 662778767 /nfs/dbraw/zinc/77/87/67/662778767.db2.gz ABIFCMVFCWYAEJ-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000900647502 662778789 /nfs/dbraw/zinc/77/87/89/662778789.db2.gz VYOADMVZWBRRDT-BXKDBHETSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1COC(=O)N1 ZINC000900731153 662779184 /nfs/dbraw/zinc/77/91/84/662779184.db2.gz CFMUBFKRVQEHHT-VXGBXAGGSA-N 1 1 312.370 -1.383 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC000900724703 662779224 /nfs/dbraw/zinc/77/92/24/662779224.db2.gz BCWVRYBSNVISGC-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1OCCN(C)C1=O)CN1CC[NH+](C)CC1 ZINC000900693205 662779442 /nfs/dbraw/zinc/77/94/42/662779442.db2.gz OWXOMKUEZODEHD-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900966780 662780054 /nfs/dbraw/zinc/78/00/54/662780054.db2.gz HVUCYWVYYZYSOH-GMXVVIOVSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900966780 662780056 /nfs/dbraw/zinc/78/00/56/662780056.db2.gz HVUCYWVYYZYSOH-GMXVVIOVSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N(CCO)CCN1CCOCC1 ZINC000901143791 662781138 /nfs/dbraw/zinc/78/11/38/662781138.db2.gz RFVICCRKNUJZAR-ZFWWWQNUSA-N 1 1 315.414 -1.405 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000901228973 662781200 /nfs/dbraw/zinc/78/12/00/662781200.db2.gz PASGSEREZPZDJV-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CC(C)(CO)[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000901227403 662781440 /nfs/dbraw/zinc/78/14/40/662781440.db2.gz HKSHXUGDVGFTFE-UHFFFAOYSA-N 1 1 319.427 -1.207 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000901309386 662781455 /nfs/dbraw/zinc/78/14/55/662781455.db2.gz WAEIKIJFKKMCOC-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000901309386 662781456 /nfs/dbraw/zinc/78/14/56/662781456.db2.gz WAEIKIJFKKMCOC-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990911939 662782975 /nfs/dbraw/zinc/78/29/75/662782975.db2.gz YBEATYFQBKGMLH-TZMCWYRMSA-N 1 1 324.425 -1.157 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990910630 662783128 /nfs/dbraw/zinc/78/31/28/662783128.db2.gz MROSNKBDWNYEGI-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990923431 662784171 /nfs/dbraw/zinc/78/41/71/662784171.db2.gz WTOPEEYZOYRZCJ-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990915536 662784321 /nfs/dbraw/zinc/78/43/21/662784321.db2.gz QAYXUSOZRHANNZ-ZYHUDNBSSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990915536 662784324 /nfs/dbraw/zinc/78/43/24/662784324.db2.gz QAYXUSOZRHANNZ-ZYHUDNBSSA-N 1 1 322.369 -1.503 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990927032 662785147 /nfs/dbraw/zinc/78/51/47/662785147.db2.gz WKBKOOTWQSWHSU-YPMHNXCESA-N 1 1 310.398 -1.404 20 0 DAADMO COc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)on1 ZINC000990942594 662785930 /nfs/dbraw/zinc/78/59/30/662785930.db2.gz BOXJMAFCFNXCAG-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO COc1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)on1 ZINC000990942594 662785931 /nfs/dbraw/zinc/78/59/31/662785931.db2.gz BOXJMAFCFNXCAG-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000902793515 662789807 /nfs/dbraw/zinc/78/98/07/662789807.db2.gz JNTXZNXGWDIRKY-UHFFFAOYSA-N 1 1 309.313 -1.479 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1CC[NH3+] ZINC000903772019 662789866 /nfs/dbraw/zinc/78/98/66/662789866.db2.gz SHIIMEKHELOGGV-YIYPIFLZSA-N 1 1 324.425 -1.293 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC000903597719 662789930 /nfs/dbraw/zinc/78/99/30/662789930.db2.gz DCLFLPNQFLQZQT-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000903598811 662790142 /nfs/dbraw/zinc/79/01/42/662790142.db2.gz QRTMEUYSAPLOKM-VXGBXAGGSA-N 1 1 317.411 -1.000 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000991048094 662791707 /nfs/dbraw/zinc/79/17/07/662791707.db2.gz LXXQOZNQYQQEJT-YGRLFVJLSA-N 1 1 322.409 -1.011 20 0 DAADMO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000905006879 662793115 /nfs/dbraw/zinc/79/31/15/662793115.db2.gz FTAMQKODAAKDKZ-BCUIYNNISA-N 1 1 322.409 -1.396 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000905016555 662793538 /nfs/dbraw/zinc/79/35/38/662793538.db2.gz SMHKNZFFQNIGNJ-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000905016555 662793542 /nfs/dbraw/zinc/79/35/42/662793542.db2.gz SMHKNZFFQNIGNJ-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000904989453 662793597 /nfs/dbraw/zinc/79/35/97/662793597.db2.gz YHXCZNFCKOWFTF-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904985403 662793630 /nfs/dbraw/zinc/79/36/30/662793630.db2.gz BCZPUDQAJGAWGA-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000905017762 662793811 /nfs/dbraw/zinc/79/38/11/662793811.db2.gz WFONZFYIRUPUCI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904989697 662793855 /nfs/dbraw/zinc/79/38/55/662793855.db2.gz NJBCYYRYFIUQLN-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989697 662793858 /nfs/dbraw/zinc/79/38/58/662793858.db2.gz NJBCYYRYFIUQLN-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904987615 662793977 /nfs/dbraw/zinc/79/39/77/662793977.db2.gz QGQMPYPZTDXBTH-XDQVBPFNSA-N 1 1 322.409 -1.383 20 0 DAADMO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904985750 662794043 /nfs/dbraw/zinc/79/40/43/662794043.db2.gz CPMKYAXXTUEGEV-RWMBFGLXSA-N 1 1 312.414 -1.150 20 0 DAADMO CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904987255 662794089 /nfs/dbraw/zinc/79/40/89/662794089.db2.gz OBJHUUUHMVWMTK-OLZOCXBDSA-N 1 1 312.414 -1.149 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000905022392 662794550 /nfs/dbraw/zinc/79/45/50/662794550.db2.gz QSSRXIARNUYLDF-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000905022392 662794553 /nfs/dbraw/zinc/79/45/53/662794553.db2.gz QSSRXIARNUYLDF-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CC1(S(=O)(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000905346226 662795365 /nfs/dbraw/zinc/79/53/65/662795365.db2.gz YXSNFSPQBMHCHW-UHFFFAOYSA-N 1 1 323.440 -1.212 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991069946 662795904 /nfs/dbraw/zinc/79/59/04/662795904.db2.gz SFPUHGJOPJVTMJ-IAQYHMDHSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991069946 662795906 /nfs/dbraw/zinc/79/59/06/662795906.db2.gz SFPUHGJOPJVTMJ-IAQYHMDHSA-N 1 1 324.381 -1.556 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000905504146 662795913 /nfs/dbraw/zinc/79/59/13/662795913.db2.gz BJEJXRKMLSWODL-UHFFFAOYSA-N 1 1 318.443 -1.416 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC(=O)C1)CCOCCO ZINC000906640908 662796044 /nfs/dbraw/zinc/79/60/44/662796044.db2.gz UQHLTPOULWQCCV-AWEZNQCLSA-N 1 1 301.387 -1.040 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000906614628 662796319 /nfs/dbraw/zinc/79/63/19/662796319.db2.gz ACMQMAXNVCVKFG-NSHDSACASA-N 1 1 309.374 -1.407 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1 ZINC000906614628 662796320 /nfs/dbraw/zinc/79/63/20/662796320.db2.gz ACMQMAXNVCVKFG-NSHDSACASA-N 1 1 309.374 -1.407 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCCN(CC(N)=O)CC2)C1 ZINC000906566321 662796334 /nfs/dbraw/zinc/79/63/34/662796334.db2.gz PLNOCFGPMUOQJN-UHFFFAOYSA-N 1 1 311.430 -1.501 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CCNC(=O)CO)CC2)C1 ZINC000906706687 662796411 /nfs/dbraw/zinc/79/64/11/662796411.db2.gz AHLRNRFPTZXRTK-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNC(=O)CO)CC1 ZINC000906679364 662796452 /nfs/dbraw/zinc/79/64/52/662796452.db2.gz XYCSHUUZEWJWQY-ZDUSSCGKSA-N 1 1 314.430 -1.125 20 0 DAADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCNC(=O)CO)CC1 ZINC000906880407 662796665 /nfs/dbraw/zinc/79/66/65/662796665.db2.gz RXNBKHNAIHAVDP-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000906900882 662796816 /nfs/dbraw/zinc/79/68/16/662796816.db2.gz GLZMOIRHUYPWJJ-LLVKDONJSA-N 1 1 309.370 -1.758 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)CO)[C@@H](C)C1 ZINC000907219813 662796961 /nfs/dbraw/zinc/79/69/61/662796961.db2.gz VYWGABRRKCDAET-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)CO)[C@@H](C)C1 ZINC000907219813 662796964 /nfs/dbraw/zinc/79/69/64/662796964.db2.gz VYWGABRRKCDAET-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CN1CCNC(=O)C1 ZINC000907455859 662797375 /nfs/dbraw/zinc/79/73/75/662797375.db2.gz JNRMKLPHZZASNE-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000907453083 662797573 /nfs/dbraw/zinc/79/75/73/662797573.db2.gz UBRREDACPGUVQL-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@@H+]1CCO ZINC000907544485 662797852 /nfs/dbraw/zinc/79/78/52/662797852.db2.gz RWSQMMYRLMPACL-SNVBAGLBSA-N 1 1 305.400 -1.597 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@H+]1CCO ZINC000907544485 662797858 /nfs/dbraw/zinc/79/78/58/662797858.db2.gz RWSQMMYRLMPACL-SNVBAGLBSA-N 1 1 305.400 -1.597 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000907605200 662797877 /nfs/dbraw/zinc/79/78/77/662797877.db2.gz SYHDWFKRTQXGQJ-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@@H+]1CCO ZINC000907544484 662798069 /nfs/dbraw/zinc/79/80/69/662798069.db2.gz RWSQMMYRLMPACL-JTQLQIEISA-N 1 1 305.400 -1.597 20 0 DAADMO C[C@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@H+]1CCO ZINC000907544484 662798071 /nfs/dbraw/zinc/79/80/71/662798071.db2.gz RWSQMMYRLMPACL-JTQLQIEISA-N 1 1 305.400 -1.597 20 0 DAADMO Cn1ccc(NC(=O)CNC(=O)C2CN(C)CC[N@@H+](C)C2)n1 ZINC000907764975 662798408 /nfs/dbraw/zinc/79/84/08/662798408.db2.gz YHDVCSLLYOGFQC-UHFFFAOYSA-N 1 1 308.386 -1.032 20 0 DAADMO CN1CCN(S(=O)(=O)N2CCOCC2)CC[N@H+](C)CC1 ZINC000907784967 662798599 /nfs/dbraw/zinc/79/85/99/662798599.db2.gz BPUOMINRQLNHIK-UHFFFAOYSA-N 1 1 306.432 -1.257 20 0 DAADMO CN1CCN(S(=O)(=O)N2CCOCC2)CC[N@@H+](C)CC1 ZINC000907784967 662798603 /nfs/dbraw/zinc/79/86/03/662798603.db2.gz BPUOMINRQLNHIK-UHFFFAOYSA-N 1 1 306.432 -1.257 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907881779 662798642 /nfs/dbraw/zinc/79/86/42/662798642.db2.gz MQNWKHBGGPUSDH-UHFFFAOYSA-N 1 1 300.359 -2.115 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000908028438 662798994 /nfs/dbraw/zinc/79/89/94/662798994.db2.gz NRWJTUWCOLXCDC-CMPLNLGQSA-N 1 1 320.415 -1.950 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000907974674 662799176 /nfs/dbraw/zinc/79/91/76/662799176.db2.gz FOCSHNHZWBTGET-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC3(C2)NC(=O)NC3=O)CC1 ZINC000907872381 662799224 /nfs/dbraw/zinc/79/92/24/662799224.db2.gz VITSLTYBHIVHBC-UHFFFAOYSA-N 1 1 302.356 -1.696 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)CN2CCNC(=O)C2)CC1(C)C ZINC000908003130 662799250 /nfs/dbraw/zinc/79/92/50/662799250.db2.gz WNMKZHIZISSNQQ-UHFFFAOYSA-N 1 1 311.430 -1.440 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000907975222 662799535 /nfs/dbraw/zinc/79/95/35/662799535.db2.gz JJYMEJYLBWWKOQ-CQSZACIVSA-N 1 1 314.430 -1.711 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908160314 662799969 /nfs/dbraw/zinc/79/99/69/662799969.db2.gz QOAANUVZYBVGMC-UHFFFAOYSA-N 1 1 321.447 -2.008 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991105456 662800075 /nfs/dbraw/zinc/80/00/75/662800075.db2.gz NTSSCKCEGDLLSV-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991108973 662800239 /nfs/dbraw/zinc/80/02/39/662800239.db2.gz CHYNUUQJVJDNEX-VHSXEESVSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991108973 662800240 /nfs/dbraw/zinc/80/02/40/662800240.db2.gz CHYNUUQJVJDNEX-VHSXEESVSA-N 1 1 312.326 -2.248 20 0 DAADMO Cn1nncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991103931 662800368 /nfs/dbraw/zinc/80/03/68/662800368.db2.gz ULANBPDEVRJODA-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1nncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991103931 662800369 /nfs/dbraw/zinc/80/03/69/662800369.db2.gz ULANBPDEVRJODA-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)O1 ZINC000991110908 662800889 /nfs/dbraw/zinc/80/08/89/662800889.db2.gz NGBULLPLLSMRHW-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnnn3C)C2)O1 ZINC000991110908 662800890 /nfs/dbraw/zinc/80/08/90/662800890.db2.gz NGBULLPLLSMRHW-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991118330 662801444 /nfs/dbraw/zinc/80/14/44/662801444.db2.gz VMJVKLVRBPXBHB-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991124766 662801950 /nfs/dbraw/zinc/80/19/50/662801950.db2.gz JTZCTMPHXKNSHY-GXSJLCMTSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991120960 662801972 /nfs/dbraw/zinc/80/19/72/662801972.db2.gz RCGNQGXLNUTXAF-KOLCDFICSA-N 1 1 310.354 -1.236 20 0 DAADMO CCOC(=O)C[C@@H](CO)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908314366 662802553 /nfs/dbraw/zinc/80/25/53/662802553.db2.gz JSBBVULNLSLSMF-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000908346712 662802595 /nfs/dbraw/zinc/80/25/95/662802595.db2.gz NSRNRICODKCTQY-GVXVVHGQSA-N 1 1 319.427 -1.066 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000908240072 662802602 /nfs/dbraw/zinc/80/26/02/662802602.db2.gz QIBXTNXOIYRMGO-UHFFFAOYSA-N 1 1 320.459 -1.123 20 0 DAADMO CN(CCCNC(=O)C1CN(S(C)(=O)=O)C1)CC[NH+](C)C ZINC000908240072 662802603 /nfs/dbraw/zinc/80/26/03/662802603.db2.gz QIBXTNXOIYRMGO-UHFFFAOYSA-N 1 1 320.459 -1.123 20 0 DAADMO CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000908346717 662802632 /nfs/dbraw/zinc/80/26/32/662802632.db2.gz NSRNRICODKCTQY-WZRBSPASSA-N 1 1 319.427 -1.066 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000908527347 662803022 /nfs/dbraw/zinc/80/30/22/662803022.db2.gz RXKMTDYPHMFBKZ-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000991154337 662803336 /nfs/dbraw/zinc/80/33/36/662803336.db2.gz BGFKVNNZXTXLAX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000991154337 662803338 /nfs/dbraw/zinc/80/33/38/662803338.db2.gz BGFKVNNZXTXLAX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991165443 662804141 /nfs/dbraw/zinc/80/41/41/662804141.db2.gz RFYHXSASECEWSS-SNVBAGLBSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991165443 662804143 /nfs/dbraw/zinc/80/41/43/662804143.db2.gz RFYHXSASECEWSS-SNVBAGLBSA-N 1 1 308.342 -1.914 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC000991167332 662804483 /nfs/dbraw/zinc/80/44/83/662804483.db2.gz JOJXXTYATKPBNB-LLVKDONJSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC000991167332 662804484 /nfs/dbraw/zinc/80/44/84/662804484.db2.gz JOJXXTYATKPBNB-LLVKDONJSA-N 1 1 323.353 -1.422 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991178795 663127004 /nfs/dbraw/zinc/12/70/04/663127004.db2.gz HOGPHHASOFJNID-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO CCn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991183023 663127060 /nfs/dbraw/zinc/12/70/60/663127060.db2.gz HQVVWFYPBNNPDP-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991183023 663127061 /nfs/dbraw/zinc/12/70/61/663127061.db2.gz HQVVWFYPBNNPDP-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CCNC(=O)CO)CC[N@@H+](C)C1 ZINC000910413215 663129063 /nfs/dbraw/zinc/12/90/63/663129063.db2.gz LKXTULQKXZVHHC-SNVBAGLBSA-N 1 1 301.343 -1.952 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)Cn2nc(C)oc2=O)CC[N@@H+](C)C1 ZINC000910413007 663129262 /nfs/dbraw/zinc/12/92/62/663129262.db2.gz CYCIFHFCNOLCER-JTQLQIEISA-N 1 1 312.326 -1.292 20 0 DAADMO CC(C)N1CC[NH+](CCC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC000910533902 663130084 /nfs/dbraw/zinc/13/00/84/663130084.db2.gz JRLPUSZUPIAQCP-UHFFFAOYSA-N 1 1 318.443 -1.098 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000910652906 663131424 /nfs/dbraw/zinc/13/14/24/663131424.db2.gz SBIYUZVUOXCQDE-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000910652906 663131426 /nfs/dbraw/zinc/13/14/26/663131426.db2.gz SBIYUZVUOXCQDE-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000910700507 663132053 /nfs/dbraw/zinc/13/20/53/663132053.db2.gz ROXKCAHHKMHJOB-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000910700507 663132054 /nfs/dbraw/zinc/13/20/54/663132054.db2.gz ROXKCAHHKMHJOB-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CN1CCN(C(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1=O ZINC000910734154 663132374 /nfs/dbraw/zinc/13/23/74/663132374.db2.gz AEABLALAUSOZPJ-ABAIWWIYSA-N 1 1 308.382 -1.303 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000991277205 663132407 /nfs/dbraw/zinc/13/24/07/663132407.db2.gz CFYBQQPSRBSEPH-SNVBAGLBSA-N 1 1 306.370 -1.066 20 0 DAADMO Cc1nc(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000991277205 663132410 /nfs/dbraw/zinc/13/24/10/663132410.db2.gz CFYBQQPSRBSEPH-SNVBAGLBSA-N 1 1 306.370 -1.066 20 0 DAADMO Cc1nc(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000991277205 663132414 /nfs/dbraw/zinc/13/24/14/663132414.db2.gz CFYBQQPSRBSEPH-SNVBAGLBSA-N 1 1 306.370 -1.066 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1(C)C ZINC000910774907 663133388 /nfs/dbraw/zinc/13/33/88/663133388.db2.gz NPUQGOJHLSRRAK-NEPJUHHUSA-N 1 1 313.398 -1.259 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1(C)C ZINC000910774907 663133389 /nfs/dbraw/zinc/13/33/89/663133389.db2.gz NPUQGOJHLSRRAK-NEPJUHHUSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC(=O)N1 ZINC000910905044 663134504 /nfs/dbraw/zinc/13/45/04/663134504.db2.gz AEYFHNFQLILSLG-JRPNMDOOSA-N 1 1 308.382 -1.257 20 0 DAADMO C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1CN(C)CCN1C)C(C)C ZINC000911030869 663135798 /nfs/dbraw/zinc/13/57/98/663135798.db2.gz MROQHXHUZJECCX-CYBMUJFWSA-N 1 1 313.446 -1.195 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911032388 663135866 /nfs/dbraw/zinc/13/58/66/663135866.db2.gz UFBIFSXAVFARIA-WOSRLPQWSA-N 1 1 323.441 -1.312 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000910994109 663135889 /nfs/dbraw/zinc/13/58/89/663135889.db2.gz VUAXCNXABIYUPM-VXGBXAGGSA-N 1 1 314.386 -1.521 20 0 DAADMO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000911071926 663136410 /nfs/dbraw/zinc/13/64/10/663136410.db2.gz DLXWJZYSAUKNCQ-NHYWBVRUSA-N 1 1 310.398 -1.349 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CNOC2)CC1(C)C ZINC000911096897 663136952 /nfs/dbraw/zinc/13/69/52/663136952.db2.gz MNWKKOZNKMDYEI-NSHDSACASA-N 1 1 313.402 -1.852 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CNOC2)CC1(C)C ZINC000911096892 663137011 /nfs/dbraw/zinc/13/70/11/663137011.db2.gz MNWKKOZNKMDYEI-LLVKDONJSA-N 1 1 313.402 -1.852 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1COC ZINC000911156684 663138065 /nfs/dbraw/zinc/13/80/65/663138065.db2.gz QAOUWUMZMUWBAG-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1COC ZINC000911156684 663138066 /nfs/dbraw/zinc/13/80/66/663138066.db2.gz QAOUWUMZMUWBAG-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000911183380 663138114 /nfs/dbraw/zinc/13/81/14/663138114.db2.gz LQHMOBPASWOLPP-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911156160 663138390 /nfs/dbraw/zinc/13/83/90/663138390.db2.gz NGARQQFAXKCAHW-LLVKDONJSA-N 1 1 300.403 -1.124 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911242253 663139304 /nfs/dbraw/zinc/13/93/04/663139304.db2.gz QHQXNPFUMHYUGT-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CNOC1)CN1CC[NH+](C)CC1 ZINC000911269862 663140230 /nfs/dbraw/zinc/14/02/30/663140230.db2.gz PFWPSKXKMDGXLC-NWDGAFQWSA-N 1 1 313.402 -1.994 20 0 DAADMO C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911271276 663140580 /nfs/dbraw/zinc/14/05/80/663140580.db2.gz ZUDFVXYTVHYMSP-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911296698 663140995 /nfs/dbraw/zinc/14/09/95/663140995.db2.gz KEOTYLURSAEZGF-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911265223 663141062 /nfs/dbraw/zinc/14/10/62/663141062.db2.gz BHWNAINIRKLAHA-MCIONIFRSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911298125 663141088 /nfs/dbraw/zinc/14/10/88/663141088.db2.gz RNQCUGVHCYDTKP-JHJVBQTASA-N 1 1 312.414 -1.103 20 0 DAADMO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000911298611 663141100 /nfs/dbraw/zinc/14/11/00/663141100.db2.gz SCFDBQCBUMLUJN-BFHYXJOUSA-N 1 1 324.425 -1.103 20 0 DAADMO CC(C)([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911296690 663141105 /nfs/dbraw/zinc/14/11/05/663141105.db2.gz KEOTYLURSAEZGF-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000911298615 663141208 /nfs/dbraw/zinc/14/12/08/663141208.db2.gz SCFDBQCBUMLUJN-MELADBBJSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911327311 663141422 /nfs/dbraw/zinc/14/14/22/663141422.db2.gz UJQODLIBDZVQBK-YNEHKIRRSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911286969 663141505 /nfs/dbraw/zinc/14/15/05/663141505.db2.gz BHWNAINIRKLAHA-MJBXVCDLSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911286966 663141701 /nfs/dbraw/zinc/14/17/01/663141701.db2.gz BHWNAINIRKLAHA-BFHYXJOUSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911282230 663141922 /nfs/dbraw/zinc/14/19/22/663141922.db2.gz OWBLWTUETGZHLH-MJBXVCDLSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1ccc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991315757 663142019 /nfs/dbraw/zinc/14/20/19/663142019.db2.gz KBUKBRDEZJZJDE-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1ccc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991315757 663142021 /nfs/dbraw/zinc/14/20/21/663142021.db2.gz KBUKBRDEZJZJDE-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911414707 663143308 /nfs/dbraw/zinc/14/33/08/663143308.db2.gz PFEOBXLMFYUZBL-AXFHLTTASA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911414707 663143312 /nfs/dbraw/zinc/14/33/12/663143312.db2.gz PFEOBXLMFYUZBL-AXFHLTTASA-N 1 1 314.411 -1.298 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911366822 663143484 /nfs/dbraw/zinc/14/34/84/663143484.db2.gz JRAJYDQGGDVVOP-YIYPIFLZSA-N 1 1 324.425 -1.232 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)N1CCN[C@H](C)C1)C[NH+](C)C ZINC000911433602 663144457 /nfs/dbraw/zinc/14/44/57/663144457.db2.gz BJTRXHQGDHQOLO-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000991330451 663146382 /nfs/dbraw/zinc/14/63/82/663146382.db2.gz FNIYIRLKNJQIEO-JTQLQIEISA-N 1 1 322.365 -1.586 20 0 DAADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462560 663146747 /nfs/dbraw/zinc/14/67/47/663146747.db2.gz YTMOSCROFMPABM-GHMZBOCLSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462560 663146751 /nfs/dbraw/zinc/14/67/51/663146751.db2.gz YTMOSCROFMPABM-GHMZBOCLSA-N 1 1 314.386 -1.690 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000911507338 663147903 /nfs/dbraw/zinc/14/79/03/663147903.db2.gz VNOUSLHHGXSBGJ-NEPJUHHUSA-N 1 1 310.398 -1.349 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000911507341 663148186 /nfs/dbraw/zinc/14/81/86/663148186.db2.gz VNOUSLHHGXSBGJ-NWDGAFQWSA-N 1 1 310.398 -1.349 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000911507344 663148419 /nfs/dbraw/zinc/14/84/19/663148419.db2.gz VNOUSLHHGXSBGJ-VXGBXAGGSA-N 1 1 310.398 -1.349 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000911560901 663148906 /nfs/dbraw/zinc/14/89/06/663148906.db2.gz IPVGLTXZPFXUGQ-UHFFFAOYSA-N 1 1 317.411 -1.143 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911551897 663148949 /nfs/dbraw/zinc/14/89/49/663148949.db2.gz SXEKRWKKSBLSAR-RXGFPQBGSA-N 1 1 308.382 -1.727 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H](O)C(C)(C)O)C1 ZINC000911858344 663151193 /nfs/dbraw/zinc/15/11/93/663151193.db2.gz ICMQMFAEKLZDRK-LBPRGKRZSA-N 1 1 304.387 -1.076 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H](O)C(C)(C)O)C1 ZINC000911858342 663151439 /nfs/dbraw/zinc/15/14/39/663151439.db2.gz ICMQMFAEKLZDRK-GFCCVEGCSA-N 1 1 304.387 -1.076 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884531 663151738 /nfs/dbraw/zinc/15/17/38/663151738.db2.gz RCKCFAFHQDAXDI-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000911901751 663151873 /nfs/dbraw/zinc/15/18/73/663151873.db2.gz LHUAOKKWKMEVEV-SMDDNHRTSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901751 663151877 /nfs/dbraw/zinc/15/18/77/663151877.db2.gz LHUAOKKWKMEVEV-SMDDNHRTSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901751 663151880 /nfs/dbraw/zinc/15/18/80/663151880.db2.gz LHUAOKKWKMEVEV-SMDDNHRTSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000911901749 663152074 /nfs/dbraw/zinc/15/20/74/663152074.db2.gz LHUAOKKWKMEVEV-FZMZJTMJSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901749 663152076 /nfs/dbraw/zinc/15/20/76/663152076.db2.gz LHUAOKKWKMEVEV-FZMZJTMJSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901749 663152078 /nfs/dbraw/zinc/15/20/78/663152078.db2.gz LHUAOKKWKMEVEV-FZMZJTMJSA-N 1 1 308.386 -1.096 20 0 DAADMO COCCN1C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912609909 663153833 /nfs/dbraw/zinc/15/38/33/663153833.db2.gz RURPCQBGGPTRQJ-GFCCVEGCSA-N 1 1 301.387 -1.136 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CCN1CCCS1(=O)=O ZINC000912609416 663153963 /nfs/dbraw/zinc/15/39/63/663153963.db2.gz BOWKXUZRWVLOCO-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000912608090 663153990 /nfs/dbraw/zinc/15/39/90/663153990.db2.gz QEJDBOPHOHQCKA-UHFFFAOYSA-N 1 1 300.359 -1.660 20 0 DAADMO CN(CC[N@H+](C)CCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC000912609393 663154055 /nfs/dbraw/zinc/15/40/55/663154055.db2.gz AOWDGHANACKLSV-UHFFFAOYSA-N 1 1 307.416 -1.901 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC000912609393 663154056 /nfs/dbraw/zinc/15/40/56/663154056.db2.gz AOWDGHANACKLSV-UHFFFAOYSA-N 1 1 307.416 -1.901 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)C1 ZINC000912676547 663154257 /nfs/dbraw/zinc/15/42/57/663154257.db2.gz BLQQYDSACYHVHR-CQSZACIVSA-N 1 1 322.413 -1.001 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](CO)C1 ZINC000912734879 663154874 /nfs/dbraw/zinc/15/48/74/663154874.db2.gz QQKUJOWLIHGFJP-RYUDHWBXSA-N 1 1 319.427 -1.207 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3CO)CC2=O)cn1 ZINC000912734681 663154844 /nfs/dbraw/zinc/15/48/44/663154844.db2.gz MJVHNJXHJUXXDV-AAEUAGOBSA-N 1 1 321.381 -1.092 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3CO)CC2=O)cn1 ZINC000912734681 663154847 /nfs/dbraw/zinc/15/48/47/663154847.db2.gz MJVHNJXHJUXXDV-AAEUAGOBSA-N 1 1 321.381 -1.092 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](CO)C1 ZINC000912734879 663154875 /nfs/dbraw/zinc/15/48/75/663154875.db2.gz QQKUJOWLIHGFJP-RYUDHWBXSA-N 1 1 319.427 -1.207 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3CO)CC2=O)cn1 ZINC000912734682 663155031 /nfs/dbraw/zinc/15/50/31/663155031.db2.gz MJVHNJXHJUXXDV-DGCLKSJQSA-N 1 1 321.381 -1.092 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3CO)CC2=O)cn1 ZINC000912734682 663155033 /nfs/dbraw/zinc/15/50/33/663155033.db2.gz MJVHNJXHJUXXDV-DGCLKSJQSA-N 1 1 321.381 -1.092 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)[C@H](CO)C1 ZINC000912737103 663155081 /nfs/dbraw/zinc/15/50/81/663155081.db2.gz GCIYISKNMWAXJV-JTQLQIEISA-N 1 1 314.411 -1.382 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)[C@H](CO)C1 ZINC000912737103 663155085 /nfs/dbraw/zinc/15/50/85/663155085.db2.gz GCIYISKNMWAXJV-JTQLQIEISA-N 1 1 314.411 -1.382 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1=O ZINC000912750329 663155483 /nfs/dbraw/zinc/15/54/83/663155483.db2.gz ZCFFSSCYOQWYJX-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1=O ZINC000912750329 663155484 /nfs/dbraw/zinc/15/54/84/663155484.db2.gz ZCFFSSCYOQWYJX-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N(CCO)CCOCCO)C1 ZINC000912771217 663155511 /nfs/dbraw/zinc/15/55/11/663155511.db2.gz VSDGFEXTCAWSNF-AWEZNQCLSA-N 1 1 304.387 -1.337 20 0 DAADMO C[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000913055735 663156252 /nfs/dbraw/zinc/15/62/52/663156252.db2.gz AZYJRKQSEUPFPK-VIFPVBQESA-N 1 1 305.404 -2.374 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(CO)COCCN1)[C@@H]1CCSC1 ZINC000913183361 663156426 /nfs/dbraw/zinc/15/64/26/663156426.db2.gz PKJPKZHRQZFMCQ-YPMHNXCESA-N 1 1 303.428 -1.109 20 0 DAADMO COCCn1ncc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1C ZINC000913194767 663156511 /nfs/dbraw/zinc/15/65/11/663156511.db2.gz CGVYKCZRUMMMRS-CQSZACIVSA-N 1 1 312.370 -1.081 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1COCCN1CC(F)F ZINC000913185050 663156599 /nfs/dbraw/zinc/15/65/99/663156599.db2.gz KABTXDQEDJABQZ-MFKMUULPSA-N 1 1 323.340 -1.581 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(CO)COCCN1)[C@H]1CCSC1 ZINC000913183360 663156606 /nfs/dbraw/zinc/15/66/06/663156606.db2.gz PKJPKZHRQZFMCQ-WCQYABFASA-N 1 1 303.428 -1.109 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)nc2C1 ZINC000913196252 663156611 /nfs/dbraw/zinc/15/66/11/663156611.db2.gz LCRVENDINXCOHB-XHDPSFHLSA-N 1 1 324.381 -1.075 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(CO)COCCN2)C1 ZINC000913196341 663156646 /nfs/dbraw/zinc/15/66/46/663156646.db2.gz MJSGCEDPYCIHCK-AWEZNQCLSA-N 1 1 300.403 -2.053 20 0 DAADMO O=C(CC(=O)NC[C@]1(CO)COCC[NH2+]1)NCC(F)(F)F ZINC000913183800 663156679 /nfs/dbraw/zinc/15/66/79/663156679.db2.gz UVLFJGDGMKFOOH-JTQLQIEISA-N 1 1 313.276 -1.478 20 0 DAADMO CCO[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCOC1 ZINC000913196848 663156687 /nfs/dbraw/zinc/15/66/87/663156687.db2.gz QWIKMVYBPUFEGS-SGMGOOAPSA-N 1 1 302.371 -1.105 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000913437157 663157344 /nfs/dbraw/zinc/15/73/44/663157344.db2.gz PDCTXMRSPQMAJO-SEWBAHNZSA-N 1 1 309.366 -1.047 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000913437155 663157667 /nfs/dbraw/zinc/15/76/67/663157667.db2.gz PDCTXMRSPQMAJO-FHOOGIDHSA-N 1 1 309.366 -1.047 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCC(O)CC2)C[C@H]1CO ZINC000913547046 663158333 /nfs/dbraw/zinc/15/83/33/663158333.db2.gz DNBGITCQCYNDNZ-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCC(O)CC2)C[C@H]1CO ZINC000913547046 663158335 /nfs/dbraw/zinc/15/83/35/663158335.db2.gz DNBGITCQCYNDNZ-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC(=O)N2CCC(O)CC2)C[C@@H]1CO ZINC000913547045 663158399 /nfs/dbraw/zinc/15/83/99/663158399.db2.gz DNBGITCQCYNDNZ-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC(=O)N2CCC(O)CC2)C[C@@H]1CO ZINC000913547045 663158400 /nfs/dbraw/zinc/15/84/00/663158400.db2.gz DNBGITCQCYNDNZ-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1O ZINC000991485541 663159175 /nfs/dbraw/zinc/15/91/75/663159175.db2.gz OSYJMQBDEOTHLB-WDEREUQCSA-N 1 1 323.353 -1.855 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000991481843 663159220 /nfs/dbraw/zinc/15/92/20/663159220.db2.gz ZFAYLUCXIPOEEA-LBPRGKRZSA-N 1 1 321.385 -1.127 20 0 DAADMO CN1CCN(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1=O ZINC000991475623 663159343 /nfs/dbraw/zinc/15/93/43/663159343.db2.gz SWLYRGMWPZNWHZ-BBRMVZONSA-N 1 1 324.425 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC000947324017 663161071 /nfs/dbraw/zinc/16/10/71/663161071.db2.gz OWACRVSVEDZRML-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030035026 663161161 /nfs/dbraw/zinc/16/11/61/663161161.db2.gz CHTYCNSRBAYWDC-GARJFASQSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030035026 663161165 /nfs/dbraw/zinc/16/11/65/663161165.db2.gz CHTYCNSRBAYWDC-GARJFASQSA-N 1 1 322.365 -1.349 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324015 663161233 /nfs/dbraw/zinc/16/12/33/663161233.db2.gz OWACRVSVEDZRML-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CCn2cnnn2)C1 ZINC000950074443 663165059 /nfs/dbraw/zinc/16/50/59/663165059.db2.gz OZAPDTIFKOQOHP-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000950076975 663165448 /nfs/dbraw/zinc/16/54/48/663165448.db2.gz KLAFWUOBZVNFIE-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CCN1CC[C@H](N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030181767 663169429 /nfs/dbraw/zinc/16/94/29/663169429.db2.gz GKJUVFUYJCBWLB-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CCN1CC[C@H](N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030181767 663169432 /nfs/dbraw/zinc/16/94/32/663169432.db2.gz GKJUVFUYJCBWLB-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CCn1ncnc1CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030182448 663169450 /nfs/dbraw/zinc/16/94/50/663169450.db2.gz LQIMUKYVMLRJCW-LBPRGKRZSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncnc1CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030182448 663169453 /nfs/dbraw/zinc/16/94/53/663169453.db2.gz LQIMUKYVMLRJCW-LBPRGKRZSA-N 1 1 308.386 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001030180388 663169535 /nfs/dbraw/zinc/16/95/35/663169535.db2.gz QRGIQCDWUHHIKD-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001030180388 663169536 /nfs/dbraw/zinc/16/95/36/663169536.db2.gz QRGIQCDWUHHIKD-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CCN1CC[C@@H](N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030181763 663169606 /nfs/dbraw/zinc/16/96/06/663169606.db2.gz GKJUVFUYJCBWLB-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CCN1CC[C@@H](N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030181763 663169610 /nfs/dbraw/zinc/16/96/10/663169610.db2.gz GKJUVFUYJCBWLB-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@@H](N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030182106 663169634 /nfs/dbraw/zinc/16/96/34/663169634.db2.gz HXQQXMSSDWLQJS-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@@H](N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030182106 663169636 /nfs/dbraw/zinc/16/96/36/663169636.db2.gz HXQQXMSSDWLQJS-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001030180305 663169642 /nfs/dbraw/zinc/16/96/42/663169642.db2.gz NZMUFDUODJVWCT-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001030180305 663169646 /nfs/dbraw/zinc/16/96/46/663169646.db2.gz NZMUFDUODJVWCT-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C3CC3)C2)C1 ZINC001030183104 663169755 /nfs/dbraw/zinc/16/97/55/663169755.db2.gz PIDJLSCDQGJYQS-GFCCVEGCSA-N 1 1 321.385 -1.361 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C3CC3)C2)C1 ZINC001030183104 663169757 /nfs/dbraw/zinc/16/97/57/663169757.db2.gz PIDJLSCDQGJYQS-GFCCVEGCSA-N 1 1 321.385 -1.361 20 0 DAADMO CN(C)c1noc(CN2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001030182696 663169785 /nfs/dbraw/zinc/16/97/85/663169785.db2.gz NCXOSLFHKNKTRP-LLVKDONJSA-N 1 1 324.385 -1.233 20 0 DAADMO CN(C)c1noc(CN2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001030182696 663169786 /nfs/dbraw/zinc/16/97/86/663169786.db2.gz NCXOSLFHKNKTRP-LLVKDONJSA-N 1 1 324.385 -1.233 20 0 DAADMO CCn1cc(CN2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001030180747 663169823 /nfs/dbraw/zinc/16/98/23/663169823.db2.gz YELREPAYYPULMY-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1cc(CN2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001030180747 663169825 /nfs/dbraw/zinc/16/98/25/663169825.db2.gz YELREPAYYPULMY-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947761491 663177619 /nfs/dbraw/zinc/17/76/19/663177619.db2.gz LYDJKPHQMAVSAS-GHMZBOCLSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947761494 663178157 /nfs/dbraw/zinc/17/81/57/663178157.db2.gz LYDJKPHQMAVSAS-WDEREUQCSA-N 1 1 324.381 -1.341 20 0 DAADMO Cn1ncc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001030346792 663180711 /nfs/dbraw/zinc/18/07/11/663180711.db2.gz DWQZLSHUGBUHHN-KGLIPLIRSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001030348558 663180719 /nfs/dbraw/zinc/18/07/19/663180719.db2.gz USLUOFUGDFPNAB-VXGBXAGGSA-N 1 1 321.385 -1.626 20 0 DAADMO O=C(CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)NC1CC1 ZINC001030347786 663180825 /nfs/dbraw/zinc/18/08/25/663180825.db2.gz PHBREQSXKRPPLA-KGLIPLIRSA-N 1 1 322.409 -1.071 20 0 DAADMO Cn1cc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001030347981 663181122 /nfs/dbraw/zinc/18/11/22/663181122.db2.gz QLPUBBMGVZACEH-KGLIPLIRSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030349083 663181136 /nfs/dbraw/zinc/18/11/36/663181136.db2.gz ZQGVNAFEIMFNNN-NWDGAFQWSA-N 1 1 321.385 -1.626 20 0 DAADMO Cn1cnnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030349046 663181192 /nfs/dbraw/zinc/18/11/92/663181192.db2.gz ZGNGJMGZOVYAPH-OLZOCXBDSA-N 1 1 320.397 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CCN3CCOCC3)C2)C1 ZINC000991709063 663183870 /nfs/dbraw/zinc/18/38/70/663183870.db2.gz JJDBWCBLEYGQCR-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000991708732 663184045 /nfs/dbraw/zinc/18/40/45/663184045.db2.gz IIGMQTSBWKMSDS-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000991708658 663184197 /nfs/dbraw/zinc/18/41/97/663184197.db2.gz HZYLPMNOUPCQIJ-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncc1=O ZINC000991714207 663184403 /nfs/dbraw/zinc/18/44/03/663184403.db2.gz XGIUJLFOWRMINC-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000991713814 663184500 /nfs/dbraw/zinc/18/45/00/663184500.db2.gz WNJVKEMPFLPFIP-SECBINFHSA-N 1 1 308.342 -1.738 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncc1=O ZINC000991714218 663184635 /nfs/dbraw/zinc/18/46/35/663184635.db2.gz XGIUJLFOWRMINC-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000991713023 663184674 /nfs/dbraw/zinc/18/46/74/663184674.db2.gz SWISOZDBUOCZRE-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000991714845 663184919 /nfs/dbraw/zinc/18/49/19/663184919.db2.gz HKLZYOJTTMXDIL-VIFPVBQESA-N 1 1 323.353 -2.183 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1)OC ZINC001030398508 663184973 /nfs/dbraw/zinc/18/49/73/663184973.db2.gz IQTKWWLGVNSUHH-GFCCVEGCSA-N 1 1 324.381 -1.228 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991714579 663185036 /nfs/dbraw/zinc/18/50/36/663185036.db2.gz ZIVOAGWSLWWNBO-WCQYABFASA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000991720534 663185993 /nfs/dbraw/zinc/18/59/93/663185993.db2.gz APEMWTNNLYPPSK-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991720596 663186746 /nfs/dbraw/zinc/18/67/46/663186746.db2.gz ARNOCUAVIBOPRS-UHTWSYAYSA-N 1 1 322.409 -1.011 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001030403385 663187046 /nfs/dbraw/zinc/18/70/46/663187046.db2.gz NAQXXPBSGUSLCR-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1cnn(CC(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1=O ZINC000991725368 663188277 /nfs/dbraw/zinc/18/82/77/663188277.db2.gz ZRSYROCWPOTCDJ-JTQLQIEISA-N 1 1 322.369 -2.140 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000991727034 663188346 /nfs/dbraw/zinc/18/83/46/663188346.db2.gz KDQNNPARHGSJMW-ZUZCIYMTSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000991729344 663188620 /nfs/dbraw/zinc/18/86/20/663188620.db2.gz AZTZEYWDENTIMA-UWVGGRQHSA-N 1 1 309.326 -2.245 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000991728479 663189212 /nfs/dbraw/zinc/18/92/12/663189212.db2.gz MMDJGQJSBQOPEB-JQWIXIFHSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000991731497 663189792 /nfs/dbraw/zinc/18/97/92/663189792.db2.gz SZWSUVWZSHTOTE-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000991732469 663190282 /nfs/dbraw/zinc/19/02/82/663190282.db2.gz VPDAAMCKECOXIK-ZMLRMANQSA-N 1 1 324.381 -1.702 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000991732463 663190294 /nfs/dbraw/zinc/19/02/94/663190294.db2.gz VPDAAMCKECOXIK-ADEWGFFLSA-N 1 1 324.381 -1.702 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991733482 663190341 /nfs/dbraw/zinc/19/03/41/663190341.db2.gz ZNHHHDHNWJXDMG-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC000991741971 663191428 /nfs/dbraw/zinc/19/14/28/663191428.db2.gz LWLZMKVBMGBLMR-VHSXEESVSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000991741970 663191665 /nfs/dbraw/zinc/19/16/65/663191665.db2.gz LWLZMKVBMGBLMR-UWVGGRQHSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2COCCN2C)C1 ZINC000991752734 663193182 /nfs/dbraw/zinc/19/31/82/663193182.db2.gz IHSGZNFBLGQCIB-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000991751218 663193308 /nfs/dbraw/zinc/19/33/08/663193308.db2.gz DTUGMISHXIJNDD-SNVBAGLBSA-N 1 1 307.310 -1.373 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000991751076 663193434 /nfs/dbraw/zinc/19/34/34/663193434.db2.gz CCCUPGQBIIKCNV-UHFFFAOYSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000991756224 663193925 /nfs/dbraw/zinc/19/39/25/663193925.db2.gz TVOONRNNLMUFKL-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000991761557 663194266 /nfs/dbraw/zinc/19/42/66/663194266.db2.gz IHEBSGVTZZCDFL-LLVKDONJSA-N 1 1 305.338 -1.345 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000991761923 663194349 /nfs/dbraw/zinc/19/43/49/663194349.db2.gz JJPUTNSDCFPOKY-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO NC(=O)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030439794 663194909 /nfs/dbraw/zinc/19/49/09/663194909.db2.gz JZDKIDZBWNIJHL-CYBMUJFWSA-N 1 1 310.398 -1.085 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC000947986552 663195932 /nfs/dbraw/zinc/19/59/32/663195932.db2.gz YGRKNBCIIQLXEC-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC000947986552 663195940 /nfs/dbraw/zinc/19/59/40/663195940.db2.gz YGRKNBCIIQLXEC-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3cc(=O)n(C)o3)CC2)n1 ZINC000991779251 663196434 /nfs/dbraw/zinc/19/64/34/663196434.db2.gz FLZIDMXKSKEIPS-UHFFFAOYSA-N 1 1 321.341 -1.104 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)O1 ZINC001030514752 663199513 /nfs/dbraw/zinc/19/95/13/663199513.db2.gz BBQVSDSRRMYNST-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)O1 ZINC001030514752 663199517 /nfs/dbraw/zinc/19/95/17/663199517.db2.gz BBQVSDSRRMYNST-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030517049 663199535 /nfs/dbraw/zinc/19/95/35/663199535.db2.gz RCNDOFROLLIUJP-NQBHXWOUSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030517049 663199539 /nfs/dbraw/zinc/19/95/39/663199539.db2.gz RCNDOFROLLIUJP-NQBHXWOUSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)O1 ZINC001030515590 663199635 /nfs/dbraw/zinc/19/96/35/663199635.db2.gz BTBFFMBSOYLGOD-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)O1 ZINC001030515590 663199637 /nfs/dbraw/zinc/19/96/37/663199637.db2.gz BTBFFMBSOYLGOD-ZWNOBZJWSA-N 1 1 308.386 -1.165 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001030515925 663199709 /nfs/dbraw/zinc/19/97/09/663199709.db2.gz NUROJADUJNRGFA-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001030515925 663199710 /nfs/dbraw/zinc/19/97/10/663199710.db2.gz NUROJADUJNRGFA-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030533373 663199895 /nfs/dbraw/zinc/19/98/95/663199895.db2.gz LZWOLFSLSCONCT-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991878693 663204681 /nfs/dbraw/zinc/20/46/81/663204681.db2.gz IBLNSAXNJHFGMX-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991879560 663205629 /nfs/dbraw/zinc/20/56/29/663205629.db2.gz HGYMNIAWEFHCJU-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991879560 663205635 /nfs/dbraw/zinc/20/56/35/663205635.db2.gz HGYMNIAWEFHCJU-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991880981 663206076 /nfs/dbraw/zinc/20/60/76/663206076.db2.gz PCGAIQAJXOGVTG-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991880828 663206427 /nfs/dbraw/zinc/20/64/27/663206427.db2.gz WFSBMUQVBQKIKQ-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC(N)=O ZINC000948006924 663207118 /nfs/dbraw/zinc/20/71/18/663207118.db2.gz MTQJUMVTFZPBAY-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CC(N)=O ZINC000948006924 663207120 /nfs/dbraw/zinc/20/71/20/663207120.db2.gz MTQJUMVTFZPBAY-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC(N)=O ZINC000948006923 663207142 /nfs/dbraw/zinc/20/71/42/663207142.db2.gz MTQJUMVTFZPBAY-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CC(N)=O ZINC000948006923 663207144 /nfs/dbraw/zinc/20/71/44/663207144.db2.gz MTQJUMVTFZPBAY-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC(N)=O ZINC000948006925 663207382 /nfs/dbraw/zinc/20/73/82/663207382.db2.gz MTQJUMVTFZPBAY-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CC(N)=O ZINC000948006925 663207386 /nfs/dbraw/zinc/20/73/86/663207386.db2.gz MTQJUMVTFZPBAY-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC000948015902 663208443 /nfs/dbraw/zinc/20/84/43/663208443.db2.gz JAAIVFRCTSTCJD-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC000948015902 663208446 /nfs/dbraw/zinc/20/84/46/663208446.db2.gz JAAIVFRCTSTCJD-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@H]1C ZINC000948017141 663208797 /nfs/dbraw/zinc/20/87/97/663208797.db2.gz TZJSXZFCIJGCDJ-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1CO ZINC000913557176 663211101 /nfs/dbraw/zinc/21/11/01/663211101.db2.gz VOEWDAWVFRKDIW-LLVKDONJSA-N 1 1 317.349 -1.074 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1CO ZINC000913557176 663211103 /nfs/dbraw/zinc/21/11/03/663211103.db2.gz VOEWDAWVFRKDIW-LLVKDONJSA-N 1 1 317.349 -1.074 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1CO ZINC000913557177 663211441 /nfs/dbraw/zinc/21/14/41/663211441.db2.gz VOEWDAWVFRKDIW-NSHDSACASA-N 1 1 317.349 -1.074 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1CO ZINC000913557177 663211445 /nfs/dbraw/zinc/21/14/45/663211445.db2.gz VOEWDAWVFRKDIW-NSHDSACASA-N 1 1 317.349 -1.074 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@H+](C)[C@H](CO)C2)c(=O)n(C)c1=O ZINC000913557122 663211542 /nfs/dbraw/zinc/21/15/42/663211542.db2.gz UGLKOCMVBZGRRA-ITKZLYELSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c(=O)n(C)c1=O ZINC000913557122 663211546 /nfs/dbraw/zinc/21/15/46/663211546.db2.gz UGLKOCMVBZGRRA-ITKZLYELSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@H+](C)[C@H](CO)C1)c2=O ZINC000913557232 663211569 /nfs/dbraw/zinc/21/15/69/663211569.db2.gz WQCBVGJSKIDLRK-JTQLQIEISA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)c2=O ZINC000913557232 663211574 /nfs/dbraw/zinc/21/15/74/663211574.db2.gz WQCBVGJSKIDLRK-JTQLQIEISA-N 1 1 320.353 -1.735 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1CO ZINC000913558706 663212645 /nfs/dbraw/zinc/21/26/45/663212645.db2.gz VGGVZPSCHIXOAC-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@H]1CO ZINC000913558706 663212649 /nfs/dbraw/zinc/21/26/49/663212649.db2.gz VGGVZPSCHIXOAC-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030682837 663212331 /nfs/dbraw/zinc/21/23/31/663212331.db2.gz AIIACTLXSMWGJV-UHFFFAOYSA-N 1 1 320.353 -1.456 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991942067 663212713 /nfs/dbraw/zinc/21/27/13/663212713.db2.gz DSSDLHLKEYOIIQ-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(Cn1nccn1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000991943146 663212825 /nfs/dbraw/zinc/21/28/25/663212825.db2.gz SKRDCRVOQAQRMZ-UHFFFAOYSA-N 1 1 322.369 -1.673 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991941632 663213235 /nfs/dbraw/zinc/21/32/35/663213235.db2.gz ATRXPWVISOLDTK-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991941632 663213238 /nfs/dbraw/zinc/21/32/38/663213238.db2.gz ATRXPWVISOLDTK-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991951791 663214128 /nfs/dbraw/zinc/21/41/28/663214128.db2.gz WQRFIUZPWXKVLE-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC000991964682 663214799 /nfs/dbraw/zinc/21/47/99/663214799.db2.gz BQHBYJKIHVLCDL-SECBINFHSA-N 1 1 309.330 -1.601 20 0 DAADMO C[C@@H](C(N)=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704746 663215153 /nfs/dbraw/zinc/21/51/53/663215153.db2.gz IKFSVEZRAIJDFK-OUVRZQPTSA-N 1 1 308.382 -1.476 20 0 DAADMO C[C@H](C(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704752 663215263 /nfs/dbraw/zinc/21/52/63/663215263.db2.gz IKFSVEZRAIJDFK-UBIDECLZSA-N 1 1 308.382 -1.476 20 0 DAADMO CC[C@H](C(N)=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705253 663215911 /nfs/dbraw/zinc/21/59/11/663215911.db2.gz RSVBMQQCQPYTMV-WXURJZIFSA-N 1 1 322.409 -1.086 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(NC(=O)Cn2ncnn2)C1 ZINC000991994179 663216482 /nfs/dbraw/zinc/21/64/82/663216482.db2.gz QZLFGMNRIJXMFO-HTAVTVPLSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12 ZINC000992072262 663218958 /nfs/dbraw/zinc/21/89/58/663218958.db2.gz ODOPXFHHAGELDH-UEKVPHQBSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015007750 663219234 /nfs/dbraw/zinc/21/92/34/663219234.db2.gz HHLQGXWVIGZTMO-NXEZZACHSA-N 1 1 308.342 -2.339 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015007750 663219238 /nfs/dbraw/zinc/21/92/38/663219238.db2.gz HHLQGXWVIGZTMO-NXEZZACHSA-N 1 1 308.342 -2.339 20 0 DAADMO Cn1cc(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)nn1 ZINC000992056664 663219315 /nfs/dbraw/zinc/21/93/15/663219315.db2.gz OAAWNINCHCHMCG-UHFFFAOYSA-N 1 1 305.346 -1.267 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000992088694 663219737 /nfs/dbraw/zinc/21/97/37/663219737.db2.gz ZRSICAXTPPWRJT-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992115237 663221136 /nfs/dbraw/zinc/22/11/36/663221136.db2.gz BILPKYSIWWRBFV-ZANVPECISA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992115237 663221138 /nfs/dbraw/zinc/22/11/38/663221138.db2.gz BILPKYSIWWRBFV-ZANVPECISA-N 1 1 307.358 -1.317 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 ZINC000992139936 663222931 /nfs/dbraw/zinc/22/29/31/663222931.db2.gz BCMSRTUJFOLXOK-FIXISWKDSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC000992148858 663223364 /nfs/dbraw/zinc/22/33/64/663223364.db2.gz YYQRTSVAEFOBBZ-LKFCYVNXSA-N 1 1 323.353 -1.863 20 0 DAADMO CN1C[C@@H](C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)NC1=O ZINC001030792796 663223518 /nfs/dbraw/zinc/22/35/18/663223518.db2.gz AVYYTKHMNMEHIG-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@H]12 ZINC000992179129 663225078 /nfs/dbraw/zinc/22/50/78/663225078.db2.gz MMNZDEPKELWPEE-LMCGPQHNSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992172293 663225334 /nfs/dbraw/zinc/22/53/34/663225334.db2.gz OIELBEVWAZMCJB-DDIVZENXSA-N 1 1 324.381 -1.382 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992172293 663225335 /nfs/dbraw/zinc/22/53/35/663225335.db2.gz OIELBEVWAZMCJB-DDIVZENXSA-N 1 1 324.381 -1.382 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2CC(NC(=O)C(N)=O)C2)no1 ZINC000992217208 663226814 /nfs/dbraw/zinc/22/68/14/663226814.db2.gz LYUGTPOLODETBH-UHFFFAOYSA-N 1 1 323.353 -1.154 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030837720 663226836 /nfs/dbraw/zinc/22/68/36/663226836.db2.gz SCEUFWODOHEKRA-LBPRGKRZSA-N 1 1 323.401 -1.380 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030837720 663226839 /nfs/dbraw/zinc/22/68/39/663226839.db2.gz SCEUFWODOHEKRA-LBPRGKRZSA-N 1 1 323.401 -1.380 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)o1 ZINC001015083695 663228135 /nfs/dbraw/zinc/22/81/35/663228135.db2.gz ISBQNVJOZSARPY-QMMMGPOBSA-N 1 1 303.340 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992286231 663229304 /nfs/dbraw/zinc/22/93/04/663229304.db2.gz HENNFQCHPDEDJY-FZNYLWTLSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992286231 663229307 /nfs/dbraw/zinc/22/93/07/663229307.db2.gz HENNFQCHPDEDJY-FZNYLWTLSA-N 1 1 323.353 -1.817 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1CNC(=O)N1 ZINC001030878351 663230251 /nfs/dbraw/zinc/23/02/51/663230251.db2.gz NIXBCYYCHOJJCO-ONGXEEELSA-N 1 1 309.370 -1.616 20 0 DAADMO Cn1nnc(C(=O)NCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000992309017 663231340 /nfs/dbraw/zinc/23/13/40/663231340.db2.gz IMHBBEJFDZJJEJ-YVNMAJEFSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)CC[N@H+]1C ZINC000992310431 663231635 /nfs/dbraw/zinc/23/16/35/663231635.db2.gz PLEYACNNIYOOAT-YUSALJHKSA-N 1 1 323.397 -1.323 20 0 DAADMO Cn1nnc(C(=O)NCC2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000992304634 663231814 /nfs/dbraw/zinc/23/18/14/663231814.db2.gz DCNYUYNTNKZCEH-ILDUYXDCSA-N 1 1 321.385 -1.071 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992322709 663232394 /nfs/dbraw/zinc/23/23/94/663232394.db2.gz GWPCKAYWJPHDLI-BMIGLBTASA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992322709 663232395 /nfs/dbraw/zinc/23/23/95/663232395.db2.gz GWPCKAYWJPHDLI-BMIGLBTASA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992313852 663232423 /nfs/dbraw/zinc/23/24/23/663232423.db2.gz BAYUPPURJIGXDB-LKFCYVNXSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992313852 663232424 /nfs/dbraw/zinc/23/24/24/663232424.db2.gz BAYUPPURJIGXDB-LKFCYVNXSA-N 1 1 323.353 -1.863 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1OCCN(C)C1=O ZINC000913684383 663235747 /nfs/dbraw/zinc/23/57/47/663235747.db2.gz SDHQHNYNASBWLY-LBPRGKRZSA-N 1 1 312.370 -1.924 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cn(C)c(=O)n1C ZINC000913683434 663235931 /nfs/dbraw/zinc/23/59/31/663235931.db2.gz COIOOFLTQGEBBY-UHFFFAOYSA-N 1 1 309.370 -1.430 20 0 DAADMO Cc1nn(CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c(=O)o1 ZINC000913684444 663235973 /nfs/dbraw/zinc/23/59/73/663235973.db2.gz VQAFXIWSICHFOO-UHFFFAOYSA-N 1 1 311.342 -1.623 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992545012 663238001 /nfs/dbraw/zinc/23/80/01/663238001.db2.gz JAZQXUFNWIDQCL-AMJWSMQMSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@H]12 ZINC000992545012 663238005 /nfs/dbraw/zinc/23/80/05/663238005.db2.gz JAZQXUFNWIDQCL-AMJWSMQMSA-N 1 1 322.365 -1.362 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030961477 663238118 /nfs/dbraw/zinc/23/81/18/663238118.db2.gz WFBKGLOZVTXJEF-MWLCHTKSSA-N 1 1 308.386 -1.394 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001030958215 663238157 /nfs/dbraw/zinc/23/81/57/663238157.db2.gz GKBFJZSPSISFAB-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030960965 663238215 /nfs/dbraw/zinc/23/82/15/663238215.db2.gz PZGIARWAJAUMFH-TZMCWYRMSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030959521 663238390 /nfs/dbraw/zinc/23/83/90/663238390.db2.gz JUABAKSIENJXMO-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000992583889 663240001 /nfs/dbraw/zinc/24/00/01/663240001.db2.gz UWZHFNIWIVRIEA-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000992583889 663240006 /nfs/dbraw/zinc/24/00/06/663240006.db2.gz UWZHFNIWIVRIEA-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000992579074 663240638 /nfs/dbraw/zinc/24/06/38/663240638.db2.gz AKVPAEQRDVIITH-RQJABVFESA-N 1 1 323.393 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000992579074 663240648 /nfs/dbraw/zinc/24/06/48/663240648.db2.gz AKVPAEQRDVIITH-RQJABVFESA-N 1 1 323.393 -1.074 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000992608177 663240961 /nfs/dbraw/zinc/24/09/61/663240961.db2.gz LCFWMRNGVRYEOL-WOPDTQHZSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000992608177 663240968 /nfs/dbraw/zinc/24/09/68/663240968.db2.gz LCFWMRNGVRYEOL-WOPDTQHZSA-N 1 1 324.381 -1.845 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599049 663241012 /nfs/dbraw/zinc/24/10/12/663241012.db2.gz LDTZHEMFWNKURP-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)c1[nH+]cc(CNS(=O)(=O)[C@@H]2COC[C@H]2O)n1C ZINC000914107143 663241769 /nfs/dbraw/zinc/24/17/69/663241769.db2.gz XKXBUVDQDBIUFZ-NXEZZACHSA-N 1 1 304.372 -1.335 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000992612499 663242066 /nfs/dbraw/zinc/24/20/66/663242066.db2.gz ZWIMANPKDAJLMV-NSHDSACASA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000992612499 663242068 /nfs/dbraw/zinc/24/20/68/663242068.db2.gz ZWIMANPKDAJLMV-NSHDSACASA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC000992610700 663242196 /nfs/dbraw/zinc/24/21/96/663242196.db2.gz SDJHDIMTJYBGAL-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC000992610700 663242200 /nfs/dbraw/zinc/24/22/00/663242200.db2.gz SDJHDIMTJYBGAL-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992730537 663243042 /nfs/dbraw/zinc/24/30/42/663243042.db2.gz LSJHEXFUQAQAIE-ZIBATOQPSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992730537 663243044 /nfs/dbraw/zinc/24/30/44/663243044.db2.gz LSJHEXFUQAQAIE-ZIBATOQPSA-N 1 1 324.381 -1.891 20 0 DAADMO O=S(=O)([C@@H]1COC[C@H]1O)N1CC[NH+](C2CCOCC2)CC1 ZINC000914217321 663243610 /nfs/dbraw/zinc/24/36/10/663243610.db2.gz DVGKTRDGQSWLKZ-CHWSQXEVSA-N 1 1 320.411 -1.128 20 0 DAADMO CC[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1C[C@H](C)O ZINC000914196770 663243704 /nfs/dbraw/zinc/24/37/04/663243704.db2.gz FRSWSELTNDBSLT-UMSGYPCISA-N 1 1 322.427 -1.147 20 0 DAADMO CC[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1C[C@H](C)O ZINC000914196770 663243705 /nfs/dbraw/zinc/24/37/05/663243705.db2.gz FRSWSELTNDBSLT-UMSGYPCISA-N 1 1 322.427 -1.147 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042651 663244836 /nfs/dbraw/zinc/24/48/36/663244836.db2.gz XQYXNKLGOPDCQV-QMMMGPOBSA-N 1 1 312.326 -1.758 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031042816 663244848 /nfs/dbraw/zinc/24/48/48/663244848.db2.gz ZZABKAAOFJJQIN-SECBINFHSA-N 1 1 310.354 -1.467 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042649 663245245 /nfs/dbraw/zinc/24/52/45/663245245.db2.gz XQYXNKLGOPDCQV-MRVPVSSYSA-N 1 1 312.326 -1.758 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031042817 663245251 /nfs/dbraw/zinc/24/52/51/663245251.db2.gz ZZABKAAOFJJQIN-VIFPVBQESA-N 1 1 310.354 -1.467 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015358062 663245276 /nfs/dbraw/zinc/24/52/76/663245276.db2.gz RKTYKUPHSSOODF-PWSUYJOCSA-N 1 1 306.370 -1.081 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015358062 663245277 /nfs/dbraw/zinc/24/52/77/663245277.db2.gz RKTYKUPHSSOODF-PWSUYJOCSA-N 1 1 306.370 -1.081 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000914315050 663245279 /nfs/dbraw/zinc/24/52/79/663245279.db2.gz JLXWQLKKMJWWCY-MNOVXSKESA-N 1 1 317.415 -1.376 20 0 DAADMO CN1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)S1(=O)=O ZINC001031084693 663246143 /nfs/dbraw/zinc/24/61/43/663246143.db2.gz DSRSPVHYFHQPEO-JQWIXIFHSA-N 1 1 317.411 -1.143 20 0 DAADMO CN1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)S1(=O)=O ZINC001031084689 663246349 /nfs/dbraw/zinc/24/63/49/663246349.db2.gz DSRSPVHYFHQPEO-CMPLNLGQSA-N 1 1 317.411 -1.143 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015459595 663246708 /nfs/dbraw/zinc/24/67/08/663246708.db2.gz LJXHORCGBCSGIS-NSHDSACASA-N 1 1 305.338 -1.321 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000730570347 663248845 /nfs/dbraw/zinc/24/88/45/663248845.db2.gz ITAVYZHSUXHZDX-SNVBAGLBSA-N 1 1 306.388 -1.056 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001015511686 663250729 /nfs/dbraw/zinc/25/07/29/663250729.db2.gz WZQFFEKXMSFFJY-STQMWFEESA-N 1 1 310.398 -1.355 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545521 663252144 /nfs/dbraw/zinc/25/21/44/663252144.db2.gz KORNLRQJKLDIDJ-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545521 663252150 /nfs/dbraw/zinc/25/21/50/663252150.db2.gz KORNLRQJKLDIDJ-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000730841945 663252802 /nfs/dbraw/zinc/25/28/02/663252802.db2.gz TVHSXNNDEMKTNY-NSHDSACASA-N 1 1 310.354 -1.236 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015599867 663254753 /nfs/dbraw/zinc/25/47/53/663254753.db2.gz WADJAXHVJKQBRE-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cnn(C)c1 ZINC000915359202 663256825 /nfs/dbraw/zinc/25/68/25/663256825.db2.gz FKTVETSKUIVMDS-UHFFFAOYSA-N 1 1 315.399 -1.185 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642404 663258805 /nfs/dbraw/zinc/25/88/05/663258805.db2.gz WALPCAIODUZYSA-RKDXNWHRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642404 663258808 /nfs/dbraw/zinc/25/88/08/663258808.db2.gz WALPCAIODUZYSA-RKDXNWHRSA-N 1 1 312.326 -2.828 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015643162 663259007 /nfs/dbraw/zinc/25/90/07/663259007.db2.gz JRWOGWGASSTVRM-QMMMGPOBSA-N 1 1 311.342 -2.007 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1=O ZINC001015643162 663259011 /nfs/dbraw/zinc/25/90/11/663259011.db2.gz JRWOGWGASSTVRM-QMMMGPOBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000993334814 663261403 /nfs/dbraw/zinc/26/14/03/663261403.db2.gz WAMZOIVLNDWCIE-HFAKWTLXSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CCn1cncn1 ZINC000993345688 663261499 /nfs/dbraw/zinc/26/14/99/663261499.db2.gz FNYPMAVLYAHSAT-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993342087 663261509 /nfs/dbraw/zinc/26/15/09/663261509.db2.gz JYBLLPNIDLFVQJ-RWSFTLGLSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCCO ZINC000993336121 663261527 /nfs/dbraw/zinc/26/15/27/663261527.db2.gz LPIMALFBSBVFDZ-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000993344262 663261766 /nfs/dbraw/zinc/26/17/66/663261766.db2.gz UKDPSFWYPSNYSA-ABAIWWIYSA-N 1 1 319.365 -1.016 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001031253137 663263103 /nfs/dbraw/zinc/26/31/03/663263103.db2.gz NRLQWABYBHNUAS-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000993477149 663265094 /nfs/dbraw/zinc/26/50/94/663265094.db2.gz RFPJEIRFEZDIKJ-WBIUFABUSA-N 1 1 309.366 -1.320 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000993477149 663265096 /nfs/dbraw/zinc/26/50/96/663265096.db2.gz RFPJEIRFEZDIKJ-WBIUFABUSA-N 1 1 309.366 -1.320 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@H]2CCNC2=O)C1 ZINC000993451488 663265854 /nfs/dbraw/zinc/26/58/54/663265854.db2.gz SUFJMVRFMHEWPQ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCC[N@H+]1CCO ZINC000993519559 663266690 /nfs/dbraw/zinc/26/66/90/663266690.db2.gz KDBDZNKLZWJPSY-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(NC1CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993581448 663267122 /nfs/dbraw/zinc/26/71/22/663267122.db2.gz ROXPHCCJCRUJFG-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CCO ZINC000993563695 663267507 /nfs/dbraw/zinc/26/75/07/663267507.db2.gz DXEWWSBRLQXVGI-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CCO ZINC000993563716 663267621 /nfs/dbraw/zinc/26/76/21/663267621.db2.gz DXEWWSBRLQXVGI-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CCCO ZINC000993698302 663268691 /nfs/dbraw/zinc/26/86/91/663268691.db2.gz HCPGNRRQXPVOES-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000993805585 663270936 /nfs/dbraw/zinc/27/09/36/663270936.db2.gz HBRVSILKIKMFNE-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000993837041 663271230 /nfs/dbraw/zinc/27/12/30/663271230.db2.gz SQDVZKLVNCIGHE-PHIMTYICSA-N 1 1 321.385 -1.127 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000993931547 663272080 /nfs/dbraw/zinc/27/20/80/663272080.db2.gz YLPQPVXEHLRSDI-GFCCVEGCSA-N 1 1 324.381 -1.558 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993968647 663272086 /nfs/dbraw/zinc/27/20/86/663272086.db2.gz CFCZDVGMUQTHQX-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993968647 663272087 /nfs/dbraw/zinc/27/20/87/663272087.db2.gz CFCZDVGMUQTHQX-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993968645 663272237 /nfs/dbraw/zinc/27/22/37/663272237.db2.gz CFCZDVGMUQTHQX-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993968645 663272244 /nfs/dbraw/zinc/27/22/44/663272244.db2.gz CFCZDVGMUQTHQX-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994004545 663273406 /nfs/dbraw/zinc/27/34/06/663273406.db2.gz SIDNKRYGCGJVPP-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994004545 663273408 /nfs/dbraw/zinc/27/34/08/663273408.db2.gz SIDNKRYGCGJVPP-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1ncn(C)c1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000994008687 663273828 /nfs/dbraw/zinc/27/38/28/663273828.db2.gz IBOPWQRWXBKLBR-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncn(C)c1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000994008687 663273833 /nfs/dbraw/zinc/27/38/33/663273833.db2.gz IBOPWQRWXBKLBR-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCC[N@H+]1CCCO ZINC000994018600 663274840 /nfs/dbraw/zinc/27/48/40/663274840.db2.gz FXAAGRWRTDRGKQ-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCC[N@H+]1CCO ZINC000994163244 663277371 /nfs/dbraw/zinc/27/73/71/663277371.db2.gz DQRKJZNTRIRNEW-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCC[N@H+]1CCO ZINC000994210195 663277559 /nfs/dbraw/zinc/27/75/59/663277559.db2.gz LJPBFZZGTIVMLC-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCC[N@H+]1CCO ZINC000994163242 663277673 /nfs/dbraw/zinc/27/76/73/663277673.db2.gz DQRKJZNTRIRNEW-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCC[N@H+]1CCO ZINC000994210197 663278179 /nfs/dbraw/zinc/27/81/79/663278179.db2.gz LJPBFZZGTIVMLC-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO O=S(=O)(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1COC[C@H]1O ZINC000916015444 663278741 /nfs/dbraw/zinc/27/87/41/663278741.db2.gz SAFBLIIHIWNFKB-IJLUTSLNSA-N 1 1 308.400 -1.488 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007160157 663282082 /nfs/dbraw/zinc/28/20/82/663282082.db2.gz HSXUNZPVGKQARI-ZJUUUORDSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007160157 663282084 /nfs/dbraw/zinc/28/20/84/663282084.db2.gz HSXUNZPVGKQARI-ZJUUUORDSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007160148 663282507 /nfs/dbraw/zinc/28/25/07/663282507.db2.gz HSXUNZPVGKQARI-NXEZZACHSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007160148 663282510 /nfs/dbraw/zinc/28/25/10/663282510.db2.gz HSXUNZPVGKQARI-NXEZZACHSA-N 1 1 308.342 -1.547 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@@H+]1CC(N)=O ZINC000994369279 663283573 /nfs/dbraw/zinc/28/35/73/663283573.db2.gz XKAOVICNTKAYIC-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CC(N)=O ZINC000994369279 663283575 /nfs/dbraw/zinc/28/35/75/663283575.db2.gz XKAOVICNTKAYIC-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO COCCOCCS(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917056481 663286354 /nfs/dbraw/zinc/28/63/54/663286354.db2.gz UWCFOSLHVCGWOE-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO COCCOCCS(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917056481 663286360 /nfs/dbraw/zinc/28/63/60/663286360.db2.gz UWCFOSLHVCGWOE-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCCO ZINC000994454977 663286525 /nfs/dbraw/zinc/28/65/25/663286525.db2.gz AFQKNAQBLBKCMP-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031363633 663287647 /nfs/dbraw/zinc/28/76/47/663287647.db2.gz MFWFUDYKCDHTAN-NSHDSACASA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001007162378 663288280 /nfs/dbraw/zinc/28/82/80/663288280.db2.gz RMMQDQKJMHJJNE-WDEREUQCSA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001007162378 663288282 /nfs/dbraw/zinc/28/82/82/663288282.db2.gz RMMQDQKJMHJJNE-WDEREUQCSA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388421 663288893 /nfs/dbraw/zinc/28/88/93/663288893.db2.gz YBHZFMHTWVSJHA-GXTWGEPZSA-N 1 1 307.398 -1.004 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CCCN3C(=O)CNC3=O)C2)C1 ZINC001031384903 663288986 /nfs/dbraw/zinc/28/89/86/663288986.db2.gz NXSTWPZJTQFJRZ-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001031384336 663289019 /nfs/dbraw/zinc/28/90/19/663289019.db2.gz CRLUKCXJWOJZRE-JTQLQIEISA-N 1 1 309.370 -1.710 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388423 663289245 /nfs/dbraw/zinc/28/92/45/663289245.db2.gz YBHZFMHTWVSJHA-OCCSQVGLSA-N 1 1 307.398 -1.004 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031391229 663289461 /nfs/dbraw/zinc/28/94/61/663289461.db2.gz BEVDXSYBWAZEGS-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000925437898 663289578 /nfs/dbraw/zinc/28/95/78/663289578.db2.gz GVTSDGKVAOGSLG-VHSXEESVSA-N 1 1 303.388 -1.766 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402653 663290068 /nfs/dbraw/zinc/29/00/68/663290068.db2.gz LZQXEHPAOWIBNW-ONGXEEELSA-N 1 1 303.384 -1.485 20 0 DAADMO O=C(NC1C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402381 663290529 /nfs/dbraw/zinc/29/05/29/663290529.db2.gz GAZODVRTBCZVEQ-ZYHUDNBSSA-N 1 1 317.411 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418055 663291745 /nfs/dbraw/zinc/29/17/45/663291745.db2.gz HBTQDTKTWZSVBA-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418055 663291751 /nfs/dbraw/zinc/29/17/51/663291751.db2.gz HBTQDTKTWZSVBA-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418056 663291923 /nfs/dbraw/zinc/29/19/23/663291923.db2.gz HBTQDTKTWZSVBA-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418056 663291929 /nfs/dbraw/zinc/29/19/29/663291929.db2.gz HBTQDTKTWZSVBA-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031419361 663292765 /nfs/dbraw/zinc/29/27/65/663292765.db2.gz YLCRSPGATRESLA-GFCCVEGCSA-N 1 1 319.427 -1.448 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031419361 663292772 /nfs/dbraw/zinc/29/27/72/663292772.db2.gz YLCRSPGATRESLA-GFCCVEGCSA-N 1 1 319.427 -1.448 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N[C@@H](CO)CN2CCOCC2)CC1 ZINC000918969497 663298316 /nfs/dbraw/zinc/29/83/16/663298316.db2.gz DBBIVBJLZNATLW-GFCCVEGCSA-N 1 1 321.443 -1.307 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001031532535 663297492 /nfs/dbraw/zinc/29/74/92/663297492.db2.gz YCLSSYYRNJGTIJ-SNVBAGLBSA-N 1 1 319.321 -1.351 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1COCCO1 ZINC001031556658 663299477 /nfs/dbraw/zinc/29/94/77/663299477.db2.gz BDDQDBFRSFBKQO-MNOVXSKESA-N 1 1 311.338 -1.745 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ccn[nH]1 ZINC001031556441 663299600 /nfs/dbraw/zinc/29/96/00/663299600.db2.gz SJKNWAYIOGTXFB-UHFFFAOYSA-N 1 1 306.326 -1.377 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccn(C)n1 ZINC000919322309 663300030 /nfs/dbraw/zinc/30/00/30/663300030.db2.gz YZRAUZMQHZJEBC-UHFFFAOYSA-N 1 1 315.399 -1.185 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]cn1 ZINC000919296786 663300333 /nfs/dbraw/zinc/30/03/33/663300333.db2.gz JXDFLNBKKFOMFE-UHFFFAOYSA-N 1 1 301.372 -1.196 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1CCOC1 ZINC000919295716 663300419 /nfs/dbraw/zinc/30/04/19/663300419.db2.gz BEZBNQYCDPKBHG-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccnn1C ZINC000919304547 663300447 /nfs/dbraw/zinc/30/04/47/663300447.db2.gz IJXRGUDLHRVNDJ-UHFFFAOYSA-N 1 1 315.399 -1.185 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031582682 663300687 /nfs/dbraw/zinc/30/06/87/663300687.db2.gz RRMQBUATGPUTIO-JOYOIKCWSA-N 1 1 308.382 -1.020 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031582148 663300815 /nfs/dbraw/zinc/30/08/15/663300815.db2.gz ICVDYFINYMEZDX-SNVBAGLBSA-N 1 1 323.353 -2.135 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031582681 663300856 /nfs/dbraw/zinc/30/08/56/663300856.db2.gz RRMQBUATGPUTIO-BXKDBHETSA-N 1 1 308.382 -1.020 20 0 DAADMO CN(C(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001031593567 663301045 /nfs/dbraw/zinc/30/10/45/663301045.db2.gz DEOBUVUTYFDDSY-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001031593567 663301048 /nfs/dbraw/zinc/30/10/48/663301048.db2.gz DEOBUVUTYFDDSY-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001031581995 663301122 /nfs/dbraw/zinc/30/11/22/663301122.db2.gz DKOWXOSHMVMGKR-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)C1 ZINC001031597244 663301404 /nfs/dbraw/zinc/30/14/04/663301404.db2.gz XRTYPIYLKVUDFV-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595978 663301755 /nfs/dbraw/zinc/30/17/55/663301755.db2.gz DMZSPKFOAKPYMN-JQWIXIFHSA-N 1 1 323.401 -1.350 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595978 663301760 /nfs/dbraw/zinc/30/17/60/663301760.db2.gz DMZSPKFOAKPYMN-JQWIXIFHSA-N 1 1 323.401 -1.350 20 0 DAADMO Cn1cc(CN2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001031594640 663301919 /nfs/dbraw/zinc/30/19/19/663301919.db2.gz HFHWZSCFLHUVOI-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1cc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001031594640 663301922 /nfs/dbraw/zinc/30/19/22/663301922.db2.gz HFHWZSCFLHUVOI-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO Cc1nnc(CN2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001031597119 663302106 /nfs/dbraw/zinc/30/21/06/663302106.db2.gz UQBDUPUYXPUXRI-LBPRGKRZSA-N 1 1 308.386 -1.008 20 0 DAADMO Cc1nnc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001031597119 663302110 /nfs/dbraw/zinc/30/21/10/663302110.db2.gz UQBDUPUYXPUXRI-LBPRGKRZSA-N 1 1 308.386 -1.008 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)C1=O ZINC001031611227 663302393 /nfs/dbraw/zinc/30/23/93/663302393.db2.gz FQAVUNUBNDTKIN-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001031615492 663302825 /nfs/dbraw/zinc/30/28/25/663302825.db2.gz OXUAQILQVYQRCC-LLVKDONJSA-N 1 1 305.338 -1.113 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)C1=O ZINC001031611228 663302833 /nfs/dbraw/zinc/30/28/33/663302833.db2.gz FQAVUNUBNDTKIN-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031621675 663303269 /nfs/dbraw/zinc/30/32/69/663303269.db2.gz MCRFCKQABXUSJI-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001031620940 663303427 /nfs/dbraw/zinc/30/34/27/663303427.db2.gz DEJGNUUYESNNCT-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)c1N ZINC001031629269 663303721 /nfs/dbraw/zinc/30/37/21/663303721.db2.gz NZSJODVFFZQJOX-LLVKDONJSA-N 1 1 306.370 -1.058 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031625371 663303752 /nfs/dbraw/zinc/30/37/52/663303752.db2.gz XJHHOEAVLWEOCS-YPMHNXCESA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000920018981 663303908 /nfs/dbraw/zinc/30/39/08/663303908.db2.gz ILLLFMXDMBPBMQ-NWDGAFQWSA-N 1 1 306.432 -1.213 20 0 DAADMO C[C@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000920018981 663303909 /nfs/dbraw/zinc/30/39/09/663303909.db2.gz ILLLFMXDMBPBMQ-NWDGAFQWSA-N 1 1 306.432 -1.213 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031625403 663303937 /nfs/dbraw/zinc/30/39/37/663303937.db2.gz XYVNUAPXJYCFSM-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031636005 663303955 /nfs/dbraw/zinc/30/39/55/663303955.db2.gz JWYKGYCVQCORAM-GFCCVEGCSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cncnc1 ZINC001031630266 663303976 /nfs/dbraw/zinc/30/39/76/663303976.db2.gz DDHXVBVDVOJPBT-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000919982820 663304102 /nfs/dbraw/zinc/30/41/02/663304102.db2.gz WLWOPXFWIXCHHA-MROQNXINSA-N 1 1 321.443 -1.046 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000919982820 663304104 /nfs/dbraw/zinc/30/41/04/663304104.db2.gz WLWOPXFWIXCHHA-MROQNXINSA-N 1 1 321.443 -1.046 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)c1N ZINC001031629392 663304127 /nfs/dbraw/zinc/30/41/27/663304127.db2.gz SWCRXWSQJUAHEX-UHFFFAOYSA-N 1 1 321.385 -1.311 20 0 DAADMO Cn1ncnc1C1(O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000919973934 663304275 /nfs/dbraw/zinc/30/42/75/663304275.db2.gz FPHZHJRMFZIGMH-UHFFFAOYSA-N 1 1 308.386 -1.662 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)C1=CCOCC1 ZINC001031625665 663304284 /nfs/dbraw/zinc/30/42/84/663304284.db2.gz RQHWSZQKQRAKHF-UHFFFAOYSA-N 1 1 322.365 -1.067 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031643633 663304470 /nfs/dbraw/zinc/30/44/70/663304470.db2.gz XOCVIONGMRQNTL-KWQFWETISA-N 1 1 310.354 -1.190 20 0 DAADMO Cn1nncc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031645810 663304657 /nfs/dbraw/zinc/30/46/57/663304657.db2.gz OCOZEJVVBXHDGR-UHFFFAOYSA-N 1 1 321.341 -1.972 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1COC(=O)N1 ZINC001031646421 663304777 /nfs/dbraw/zinc/30/47/77/663304777.db2.gz CARSIBBRKXSBOP-DTWKUNHWSA-N 1 1 310.310 -2.052 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031643631 663304997 /nfs/dbraw/zinc/30/49/97/663304997.db2.gz XOCVIONGMRQNTL-GZMMTYOYSA-N 1 1 310.354 -1.190 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)Cc2ccon2)CC1 ZINC000920535108 663305269 /nfs/dbraw/zinc/30/52/69/663305269.db2.gz LGIPIXUVHSGTGY-UHFFFAOYSA-N 1 1 302.356 -1.132 20 0 DAADMO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534047 663306429 /nfs/dbraw/zinc/30/64/29/663306429.db2.gz BJIBTSQLOIDWJJ-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@]12C[C@H]1COC2 ZINC001031687932 663306912 /nfs/dbraw/zinc/30/69/12/663306912.db2.gz RHCHKSRMBJXYLC-RWSFTLGLSA-N 1 1 307.350 -1.124 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC000948069180 663306967 /nfs/dbraw/zinc/30/69/67/663306967.db2.gz CZRRGKUFLOCBEZ-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC000948069178 663307451 /nfs/dbraw/zinc/30/74/51/663307451.db2.gz CZRRGKUFLOCBEZ-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689382 663307705 /nfs/dbraw/zinc/30/77/05/663307705.db2.gz VERHWSVJTAQXBR-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC000948069355 663307866 /nfs/dbraw/zinc/30/78/66/663307866.db2.gz GEGHLJZLEHBUOJ-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000994712134 663308707 /nfs/dbraw/zinc/30/87/07/663308707.db2.gz JBDDXFWXJDTOSG-ZJUUUORDSA-N 1 1 320.361 -1.729 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948070051 663310392 /nfs/dbraw/zinc/31/03/92/663310392.db2.gz MHWCDTWZDZULLV-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC000948070056 663310409 /nfs/dbraw/zinc/31/04/09/663310409.db2.gz MHWCDTWZDZULLV-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837601 663311764 /nfs/dbraw/zinc/31/17/64/663311764.db2.gz WJAQENCIEYSPSN-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837601 663311766 /nfs/dbraw/zinc/31/17/66/663311766.db2.gz WJAQENCIEYSPSN-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031712560 663311838 /nfs/dbraw/zinc/31/18/38/663311838.db2.gz CJJWLKFRASAMFE-JQWIXIFHSA-N 1 1 310.398 -1.011 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1CCNC1=O ZINC001038587008 663312019 /nfs/dbraw/zinc/31/20/19/663312019.db2.gz NDLZHIUACNELQO-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1CCNC1=O ZINC001038587008 663312021 /nfs/dbraw/zinc/31/20/21/663312021.db2.gz NDLZHIUACNELQO-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842714 663312628 /nfs/dbraw/zinc/31/26/28/663312628.db2.gz PYBPPFDVAUZFSV-ZJUUUORDSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842714 663312630 /nfs/dbraw/zinc/31/26/30/663312630.db2.gz PYBPPFDVAUZFSV-ZJUUUORDSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000938319579 663313310 /nfs/dbraw/zinc/31/33/10/663313310.db2.gz LFTCBXXTYBXFCB-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000938370166 663314204 /nfs/dbraw/zinc/31/42/04/663314204.db2.gz RWJBLDRREUQQQI-SSOKKCIESA-N 1 1 322.365 -1.948 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000938407917 663316833 /nfs/dbraw/zinc/31/68/33/663316833.db2.gz DDVKFLGFZVLANG-QJPTWQEYSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938410960 663317774 /nfs/dbraw/zinc/31/77/74/663317774.db2.gz UBBJCUMCXIERKM-GARJFASQSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000938411966 663318105 /nfs/dbraw/zinc/31/81/05/663318105.db2.gz WGHHDPUZLGSZTA-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000938462985 663318299 /nfs/dbraw/zinc/31/82/99/663318299.db2.gz VYPFXEUZGUMYPY-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000938463706 663318728 /nfs/dbraw/zinc/31/87/28/663318728.db2.gz MMIZNPRUGSCUGB-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000938463675 663318891 /nfs/dbraw/zinc/31/88/91/663318891.db2.gz KVTDKCBCAPHPSS-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938538282 663322913 /nfs/dbraw/zinc/32/29/13/663322913.db2.gz YNGBQZFXCAAUCW-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938540533 663322936 /nfs/dbraw/zinc/32/29/36/663322936.db2.gz YECBUMMNBHNAIV-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)O1 ZINC000994844219 663323350 /nfs/dbraw/zinc/32/33/50/663323350.db2.gz CYMFSDUKMVXGBH-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)O1 ZINC000994844219 663323352 /nfs/dbraw/zinc/32/33/52/663323352.db2.gz CYMFSDUKMVXGBH-ZYHUDNBSSA-N 1 1 322.369 -1.676 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938538280 663323443 /nfs/dbraw/zinc/32/34/43/663323443.db2.gz YNGBQZFXCAAUCW-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938562597 663323875 /nfs/dbraw/zinc/32/38/75/663323875.db2.gz SFIXTBDYEHGOOL-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC000938573015 663325867 /nfs/dbraw/zinc/32/58/67/663325867.db2.gz VHLUTKZFTYOEIH-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)O1 ZINC000994847236 663327354 /nfs/dbraw/zinc/32/73/54/663327354.db2.gz JTKGYWLQRUUBRB-MWLCHTKSSA-N 1 1 322.369 -1.607 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3nnc[nH]3)C2)O1 ZINC000994847236 663327359 /nfs/dbraw/zinc/32/73/59/663327359.db2.gz JTKGYWLQRUUBRB-MWLCHTKSSA-N 1 1 322.369 -1.607 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031739690 663328944 /nfs/dbraw/zinc/32/89/44/663328944.db2.gz AAHKCFKQTXGGDR-NSHDSACASA-N 1 1 307.354 -1.294 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)C2 ZINC000938585983 663329621 /nfs/dbraw/zinc/32/96/21/663329621.db2.gz AAVUOYNBHXBLMN-MNOVXSKESA-N 1 1 319.365 -1.044 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938589664 663330127 /nfs/dbraw/zinc/33/01/27/663330127.db2.gz MPKBHFSUMGLWQO-QWRGUYRKSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938589664 663330135 /nfs/dbraw/zinc/33/01/35/663330135.db2.gz MPKBHFSUMGLWQO-QWRGUYRKSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001031740731 663330208 /nfs/dbraw/zinc/33/02/08/663330208.db2.gz IDDFWCQRFPQBPZ-LBPRGKRZSA-N 1 1 319.365 -1.280 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001031740729 663330613 /nfs/dbraw/zinc/33/06/13/663330613.db2.gz IDDFWCQRFPQBPZ-GFCCVEGCSA-N 1 1 319.365 -1.280 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)NC1=O ZINC001038588649 663330995 /nfs/dbraw/zinc/33/09/95/663330995.db2.gz VEDOWPNPSNHJIN-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)NC1=O ZINC001038588649 663331000 /nfs/dbraw/zinc/33/10/00/663331000.db2.gz VEDOWPNPSNHJIN-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000938823619 663335055 /nfs/dbraw/zinc/33/50/55/663335055.db2.gz OSDKSRMIRKWNEB-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938884325 663337036 /nfs/dbraw/zinc/33/70/36/663337036.db2.gz VVKMMMNMSZQNQR-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCCNC1=O ZINC001031749224 663337615 /nfs/dbraw/zinc/33/76/15/663337615.db2.gz RRPQSEQDHFXJSV-GHMZBOCLSA-N 1 1 322.365 -1.634 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)O1 ZINC001031765989 663340989 /nfs/dbraw/zinc/34/09/89/663340989.db2.gz XTQFASPMEJNAKJ-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)O1 ZINC001031765989 663340993 /nfs/dbraw/zinc/34/09/93/663340993.db2.gz XTQFASPMEJNAKJ-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031801953 663346138 /nfs/dbraw/zinc/34/61/38/663346138.db2.gz IYTFLTVFDPSJIA-GHMZBOCLSA-N 1 1 322.365 -1.634 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939333919 663350259 /nfs/dbraw/zinc/35/02/59/663350259.db2.gz LDEUXAALUPMIKY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939339174 663351046 /nfs/dbraw/zinc/35/10/46/663351046.db2.gz HMDGASLXNCFXCZ-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO Cc1nonc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000994935226 663351237 /nfs/dbraw/zinc/35/12/37/663351237.db2.gz PHMAKMTWUWOBPB-JTQLQIEISA-N 1 1 309.326 -1.351 20 0 DAADMO Cc1nonc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000994935226 663351239 /nfs/dbraw/zinc/35/12/39/663351239.db2.gz PHMAKMTWUWOBPB-JTQLQIEISA-N 1 1 309.326 -1.351 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000994940695 663353359 /nfs/dbraw/zinc/35/33/59/663353359.db2.gz RQNGYKJDKMEWQK-VHSXEESVSA-N 1 1 320.361 -1.729 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939399507 663355419 /nfs/dbraw/zinc/35/54/19/663355419.db2.gz YBNXVMHOGZCVRT-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO Cn1cncc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031819317 663356016 /nfs/dbraw/zinc/35/60/16/663356016.db2.gz QKJXFIXVTWXJBN-SNVBAGLBSA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3nccn3)C2)n1 ZINC000994962759 663357491 /nfs/dbraw/zinc/35/74/91/663357491.db2.gz JOJAORMNIGZZMU-WDEREUQCSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1cnn(CC(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1=O ZINC000994970350 663357947 /nfs/dbraw/zinc/35/79/47/663357947.db2.gz MTFWNEHMOCCIKF-LLVKDONJSA-N 1 1 322.369 -1.997 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939688280 663361220 /nfs/dbraw/zinc/36/12/20/663361220.db2.gz NUOGQZPGXRFRHA-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)C(N)=O ZINC000939692113 663362205 /nfs/dbraw/zinc/36/22/05/663362205.db2.gz XPJSCMRHNGSQJG-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000939751684 663363699 /nfs/dbraw/zinc/36/36/99/663363699.db2.gz YGBNVIWOKWMXQI-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000939829045 663364733 /nfs/dbraw/zinc/36/47/33/663364733.db2.gz GULSEUDODSXOMU-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000939829045 663364734 /nfs/dbraw/zinc/36/47/34/663364734.db2.gz GULSEUDODSXOMU-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000939864134 663365237 /nfs/dbraw/zinc/36/52/37/663365237.db2.gz WAYNSMDKPJWPOB-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000939864134 663365242 /nfs/dbraw/zinc/36/52/42/663365242.db2.gz WAYNSMDKPJWPOB-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939863349 663365383 /nfs/dbraw/zinc/36/53/83/663365383.db2.gz BSVNXIDHMKKJLE-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939863349 663365385 /nfs/dbraw/zinc/36/53/85/663365385.db2.gz BSVNXIDHMKKJLE-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856569 663365437 /nfs/dbraw/zinc/36/54/37/663365437.db2.gz CHMSXRIFVMTKLP-RYCVTPFZSA-N 1 1 322.409 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000939867571 663365504 /nfs/dbraw/zinc/36/55/04/663365504.db2.gz RDGLQIPVNMTDMD-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000939867571 663365508 /nfs/dbraw/zinc/36/55/08/663365508.db2.gz RDGLQIPVNMTDMD-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000939865979 663365687 /nfs/dbraw/zinc/36/56/87/663365687.db2.gz CPRSKDXLABSDDU-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000939865979 663365689 /nfs/dbraw/zinc/36/56/89/663365689.db2.gz CPRSKDXLABSDDU-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000939865973 663365695 /nfs/dbraw/zinc/36/56/95/663365695.db2.gz CKWWHCKTMCECAX-NXEZZACHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000939865973 663365697 /nfs/dbraw/zinc/36/56/97/663365697.db2.gz CKWWHCKTMCECAX-NXEZZACHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000939863845 663365703 /nfs/dbraw/zinc/36/57/03/663365703.db2.gz PKKBSYDJAKJVAI-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000939863845 663365707 /nfs/dbraw/zinc/36/57/07/663365707.db2.gz PKKBSYDJAKJVAI-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001038593695 663366293 /nfs/dbraw/zinc/36/62/93/663366293.db2.gz OOISNDYEFMZRCP-UWVGGRQHSA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001038593695 663366299 /nfs/dbraw/zinc/36/62/99/663366299.db2.gz OOISNDYEFMZRCP-UWVGGRQHSA-N 1 1 323.353 -2.135 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001031861751 663366311 /nfs/dbraw/zinc/36/63/11/663366311.db2.gz AJIZHNAOINBZOR-NSHDSACASA-N 1 1 305.338 -1.670 20 0 DAADMO C[C@H](C(N)=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856989 663366390 /nfs/dbraw/zinc/36/63/90/663366390.db2.gz OIPWCHZSNOIBML-CFFKWZFISA-N 1 1 322.409 -1.229 20 0 DAADMO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862807 663366517 /nfs/dbraw/zinc/36/65/17/663366517.db2.gz OXXYICDFCYSGCY-UHFFFAOYSA-N 1 1 307.354 -1.470 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000995049052 663368946 /nfs/dbraw/zinc/36/89/46/663368946.db2.gz QRDTYVNSVVKTME-DTWKUNHWSA-N 1 1 320.361 -1.578 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000940226261 663369906 /nfs/dbraw/zinc/36/99/06/663369906.db2.gz RZMJJWKKLIRWQR-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000940226261 663369909 /nfs/dbraw/zinc/36/99/09/663369909.db2.gz RZMJJWKKLIRWQR-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000940522605 663374237 /nfs/dbraw/zinc/37/42/37/663374237.db2.gz KUZLUBWKKLDXPL-TUAOUCFPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000940523209 663374336 /nfs/dbraw/zinc/37/43/36/663374336.db2.gz UIKKAPPKFJIPTR-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000940525111 663374634 /nfs/dbraw/zinc/37/46/34/663374634.db2.gz CNMSGADMYSXRPQ-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940560145 663375307 /nfs/dbraw/zinc/37/53/07/663375307.db2.gz LMVWVCDGBAXFPF-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000995085010 663375701 /nfs/dbraw/zinc/37/57/01/663375701.db2.gz KFAKXLXTLBYIKH-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031900819 663378091 /nfs/dbraw/zinc/37/80/91/663378091.db2.gz DDSCEDFVPRDXNX-ONGXEEELSA-N 1 1 311.386 -1.465 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031900816 663378470 /nfs/dbraw/zinc/37/84/70/663378470.db2.gz DDSCEDFVPRDXNX-GXSJLCMTSA-N 1 1 311.386 -1.465 20 0 DAADMO Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)cn1 ZINC001031903205 663379218 /nfs/dbraw/zinc/37/92/18/663379218.db2.gz XFSTWBRWDGHGAE-GFCCVEGCSA-N 1 1 306.370 -1.008 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001031904458 663379223 /nfs/dbraw/zinc/37/92/23/663379223.db2.gz CKUNFXAZADJUDS-SNVBAGLBSA-N 1 1 307.358 -1.508 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CN=NC1=O ZINC000940689834 663379563 /nfs/dbraw/zinc/37/95/63/663379563.db2.gz PYEBAYCPWVTKAT-SECBINFHSA-N 1 1 310.358 -1.314 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CN=NC1=O ZINC000940689834 663379565 /nfs/dbraw/zinc/37/95/65/663379565.db2.gz PYEBAYCPWVTKAT-SECBINFHSA-N 1 1 310.358 -1.314 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666813 663379590 /nfs/dbraw/zinc/37/95/90/663379590.db2.gz AJRVPFOGVVSOKV-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747889 663380036 /nfs/dbraw/zinc/38/00/36/663380036.db2.gz QWGSVOLFDKBVPS-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001031907105 663380103 /nfs/dbraw/zinc/38/01/03/663380103.db2.gz ZDSLRDOXJBVDDD-NSHDSACASA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)n1 ZINC001031905976 663380172 /nfs/dbraw/zinc/38/01/72/663380172.db2.gz UXLDICXUGFWARK-UHFFFAOYSA-N 1 1 308.346 -2.103 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+](CCN3CCCC3=O)C2)n1 ZINC001031905493 663380182 /nfs/dbraw/zinc/38/01/82/663380182.db2.gz FULHDUIQCRFZST-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)C1=O ZINC001031912594 663380524 /nfs/dbraw/zinc/38/05/24/663380524.db2.gz NVIUMAWKPOINCH-VXGBXAGGSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)C1=O ZINC001031912591 663380664 /nfs/dbraw/zinc/38/06/64/663380664.db2.gz NVIUMAWKPOINCH-NEPJUHHUSA-N 1 1 308.382 -1.257 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000940794277 663380682 /nfs/dbraw/zinc/38/06/82/663380682.db2.gz PLVMSJBYDSUUNK-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000940794277 663380687 /nfs/dbraw/zinc/38/06/87/663380687.db2.gz PLVMSJBYDSUUNK-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1=O ZINC001031911877 663380744 /nfs/dbraw/zinc/38/07/44/663380744.db2.gz FPDLSVZQPNVXHG-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000940999948 663383064 /nfs/dbraw/zinc/38/30/64/663383064.db2.gz NMHLLAZIWNCBOU-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000941065470 663383998 /nfs/dbraw/zinc/38/39/98/663383998.db2.gz ZKUXGVUBEZGQHS-VHSXEESVSA-N 1 1 312.370 -1.207 20 0 DAADMO Cn1nnc(C(=O)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000941102849 663384089 /nfs/dbraw/zinc/38/40/89/663384089.db2.gz HSIUQNXVJNQEAS-NSHDSACASA-N 1 1 321.385 -1.164 20 0 DAADMO Cn1nnc(C(=O)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000941102843 663384101 /nfs/dbraw/zinc/38/41/01/663384101.db2.gz HSIUQNXVJNQEAS-LLVKDONJSA-N 1 1 321.385 -1.164 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000941098219 663384569 /nfs/dbraw/zinc/38/45/69/663384569.db2.gz XIXVLVHLFQWZOD-SNVBAGLBSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000941098219 663384573 /nfs/dbraw/zinc/38/45/73/663384573.db2.gz XIXVLVHLFQWZOD-SNVBAGLBSA-N 1 1 324.381 -1.259 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031934600 663385803 /nfs/dbraw/zinc/38/58/03/663385803.db2.gz QEEGZRWJVIWQRE-VIFPVBQESA-N 1 1 307.354 -1.092 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001031934208 663385810 /nfs/dbraw/zinc/38/58/10/663385810.db2.gz FFDFBFXJWGQLLN-NSHDSACASA-N 1 1 305.338 -1.338 20 0 DAADMO CC(=O)N1CCN(C2C[NH+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC000941263621 663386291 /nfs/dbraw/zinc/38/62/91/663386291.db2.gz VFWBBBHHPNQXIH-HNNXBMFYSA-N 1 1 324.425 -1.182 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000941237133 663386417 /nfs/dbraw/zinc/38/64/17/663386417.db2.gz IPMHVXDHQCEMOR-LLVKDONJSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)O1 ZINC000941273499 663386810 /nfs/dbraw/zinc/38/68/10/663386810.db2.gz HKBNXYVCBXYUDR-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)O1 ZINC000941273499 663386813 /nfs/dbraw/zinc/38/68/13/663386813.db2.gz HKBNXYVCBXYUDR-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000995141990 663388330 /nfs/dbraw/zinc/38/83/30/663388330.db2.gz TZVSQEILQKFDAI-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031943632 663388820 /nfs/dbraw/zinc/38/88/20/663388820.db2.gz AYKIXKHUJVELHF-LBPRGKRZSA-N 1 1 306.370 -1.042 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941335411 663389558 /nfs/dbraw/zinc/38/95/58/663389558.db2.gz JWLFBOUKWPSRBY-QWHCGFSZSA-N 1 1 311.382 -1.384 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031942925 663389581 /nfs/dbraw/zinc/38/95/81/663389581.db2.gz VHZADMRFFHLEQN-IUCAKERBSA-N 1 1 309.326 -2.479 20 0 DAADMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031942591 663389586 /nfs/dbraw/zinc/38/95/86/663389586.db2.gz OGKSASVKIMNNEW-VXGBXAGGSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031943239 663389790 /nfs/dbraw/zinc/38/97/90/663389790.db2.gz YHENKGQJWOCICF-GHMZBOCLSA-N 1 1 309.370 -1.663 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3COCCO3)CC2)C1 ZINC000941323031 663389958 /nfs/dbraw/zinc/38/99/58/663389958.db2.gz LYONAQJQZSQPRP-AWEZNQCLSA-N 1 1 313.398 -1.123 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031943242 663389991 /nfs/dbraw/zinc/38/99/91/663389991.db2.gz YHENKGQJWOCICF-WDEREUQCSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344673 663390460 /nfs/dbraw/zinc/39/04/60/663390460.db2.gz JCDJPXCKURUCAZ-GXTWGEPZSA-N 1 1 323.441 -1.217 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001031944653 663390883 /nfs/dbraw/zinc/39/08/83/663390883.db2.gz YKSUVCYGUAPFTH-NSHDSACASA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1oc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cc1=O ZINC000941386429 663392388 /nfs/dbraw/zinc/39/23/88/663392388.db2.gz HZFVFQYTPYFKDU-UHFFFAOYSA-N 1 1 310.354 -1.587 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000941397690 663392672 /nfs/dbraw/zinc/39/26/72/663392672.db2.gz FUZPSQQQFOECCZ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCn1nncc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941401054 663392759 /nfs/dbraw/zinc/39/27/59/663392759.db2.gz PCRVPTFXGAPITE-UHFFFAOYSA-N 1 1 308.386 -1.268 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941403552 663392781 /nfs/dbraw/zinc/39/27/81/663392781.db2.gz BAHSGDSTDLJUTP-CQSZACIVSA-N 1 1 313.398 -1.387 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000941408703 663393032 /nfs/dbraw/zinc/39/30/32/663393032.db2.gz QRJZFPLOQRPDNO-UHFFFAOYSA-N 1 1 309.374 -1.852 20 0 DAADMO CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000941426347 663393134 /nfs/dbraw/zinc/39/31/34/663393134.db2.gz BKUHKMKDNQOECB-OPRDCNLKSA-N 1 1 321.324 -1.076 20 0 DAADMO CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000941426347 663393136 /nfs/dbraw/zinc/39/31/36/663393136.db2.gz BKUHKMKDNQOECB-OPRDCNLKSA-N 1 1 321.324 -1.076 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941443168 663393615 /nfs/dbraw/zinc/39/36/15/663393615.db2.gz KXPILLAZEWHZKL-JSGCOSHPSA-N 1 1 313.398 -1.389 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)C1 ZINC000941444049 663393825 /nfs/dbraw/zinc/39/38/25/663393825.db2.gz BPTUNVNMRRDFQU-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[C@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC1=O ZINC000941443437 663393877 /nfs/dbraw/zinc/39/38/77/663393877.db2.gz OULJGCFKLMQMFE-INIZCTEOSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC(=O)N1 ZINC000941468032 663394876 /nfs/dbraw/zinc/39/48/76/663394876.db2.gz KYZOHOHFPHXTKI-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941448607 663394914 /nfs/dbraw/zinc/39/49/14/663394914.db2.gz FRUYCNSFKOLZSW-UHFFFAOYSA-N 1 1 307.354 -1.384 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC(=O)N1 ZINC000941468031 663395117 /nfs/dbraw/zinc/39/51/17/663395117.db2.gz KYZOHOHFPHXTKI-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC(=O)C1 ZINC000941455572 663395230 /nfs/dbraw/zinc/39/52/30/663395230.db2.gz VCKCCECIRLXWLJ-MRXNPFEDSA-N 1 1 324.425 -1.277 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941471392 663395639 /nfs/dbraw/zinc/39/56/39/663395639.db2.gz ZIXPNCWJQHYYBV-LBPRGKRZSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1n[nH]cc1F ZINC001031955503 663396040 /nfs/dbraw/zinc/39/60/40/663396040.db2.gz AXECCMAMISALHI-UHFFFAOYSA-N 1 1 324.316 -1.238 20 0 DAADMO O=C([C@@H]1CCNC(=O)CC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941502182 663396062 /nfs/dbraw/zinc/39/60/62/663396062.db2.gz LNFDHLXTMBLWLI-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CNC(=O)C1 ZINC000941500439 663396370 /nfs/dbraw/zinc/39/63/70/663396370.db2.gz SQWWWCPPPCSDPP-OAHLLOKOSA-N 1 1 310.398 -1.667 20 0 DAADMO COc1nn(C)cc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941512470 663396825 /nfs/dbraw/zinc/39/68/25/663396825.db2.gz JDISPGMZWYELPQ-UHFFFAOYSA-N 1 1 323.397 -1.137 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)NC1=O ZINC000941515856 663397271 /nfs/dbraw/zinc/39/72/71/663397271.db2.gz FYTJILCJFDGEBV-LBPRGKRZSA-N 1 1 311.386 -2.169 20 0 DAADMO O=C(N1CCN(C2C[NH+](CCO)C2)CC1)[C@]1(F)CCOC1 ZINC000941533452 663397906 /nfs/dbraw/zinc/39/79/06/663397906.db2.gz CIWOUMYSGKLIPO-AWEZNQCLSA-N 1 1 301.362 -1.064 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](CCOC3CCC3)C2)CC1 ZINC000941542899 663398025 /nfs/dbraw/zinc/39/80/25/663398025.db2.gz BEYZUFYFMVGQOY-UHFFFAOYSA-N 1 1 310.398 -1.131 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941532498 663398096 /nfs/dbraw/zinc/39/80/96/663398096.db2.gz ZCGXWHFWUCVKPO-CYBMUJFWSA-N 1 1 310.398 -1.572 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941571177 663399114 /nfs/dbraw/zinc/39/91/14/663399114.db2.gz NRQRHLJWHBVQBH-OLZOCXBDSA-N 1 1 324.425 -1.291 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941567595 663399224 /nfs/dbraw/zinc/39/92/24/663399224.db2.gz YBXLYIORDICVLP-CYBMUJFWSA-N 1 1 323.441 -1.358 20 0 DAADMO COc1cncc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n1 ZINC000941595641 663399805 /nfs/dbraw/zinc/39/98/05/663399805.db2.gz LPQQSSGZHBBLPO-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000941608030 663400471 /nfs/dbraw/zinc/40/04/71/663400471.db2.gz VHQNRHWFFWHPTQ-SNVBAGLBSA-N 1 1 319.365 -1.036 20 0 DAADMO O=C(CCn1cnnn1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941614532 663400902 /nfs/dbraw/zinc/40/09/02/663400902.db2.gz BNMFYCUXZDVSJO-UHFFFAOYSA-N 1 1 309.374 -2.116 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941635586 663400987 /nfs/dbraw/zinc/40/09/87/663400987.db2.gz SVELJCKOKHLBLP-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941653152 663401912 /nfs/dbraw/zinc/40/19/12/663401912.db2.gz FHLNMXACSCUOKD-AWEZNQCLSA-N 1 1 324.425 -1.182 20 0 DAADMO Cn1c(=O)cccc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031966299 663402247 /nfs/dbraw/zinc/40/22/47/663402247.db2.gz DKZVPEZEUDMBFH-GFCCVEGCSA-N 1 1 304.350 -1.065 20 0 DAADMO C[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666412 663402349 /nfs/dbraw/zinc/40/23/49/663402349.db2.gz YIWXNYXXQQIDSY-CHWSQXEVSA-N 1 1 323.441 -1.360 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941666301 663402418 /nfs/dbraw/zinc/40/24/18/663402418.db2.gz UOTXWTSONKUPLC-LBPRGKRZSA-N 1 1 309.414 -1.748 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031974107 663404809 /nfs/dbraw/zinc/40/48/09/663404809.db2.gz XESDDQGWBQRFSL-DVVUODLYSA-N 1 1 312.370 -1.798 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973708 663405475 /nfs/dbraw/zinc/40/54/75/663405475.db2.gz OGYTXHSWOKVVOL-GARJFASQSA-N 1 1 312.370 -1.669 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001031977824 663406884 /nfs/dbraw/zinc/40/68/84/663406884.db2.gz JDDLFNSHQTVSKL-ZYHUDNBSSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 ZINC001031978777 663407455 /nfs/dbraw/zinc/40/74/55/663407455.db2.gz WNYXAORZTRPWAS-JQWIXIFHSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)CN1CN=NC1=O ZINC000941958256 663408560 /nfs/dbraw/zinc/40/85/60/663408560.db2.gz HMIZGMRBILVOBI-WDEREUQCSA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](C)C1 ZINC000941959825 663408796 /nfs/dbraw/zinc/40/87/96/663408796.db2.gz RWCKPMHIRPOOCM-VHSXEESVSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](C)C1 ZINC000941968858 663408827 /nfs/dbraw/zinc/40/88/27/663408827.db2.gz YRSVUGYKHRCCHH-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001031981158 663408937 /nfs/dbraw/zinc/40/89/37/663408937.db2.gz QSUBQANETFMTOT-YNEHKIRRSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC000941959823 663409058 /nfs/dbraw/zinc/40/90/58/663409058.db2.gz RWCKPMHIRPOOCM-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O ZINC001031982304 663409108 /nfs/dbraw/zinc/40/91/08/663409108.db2.gz OAMJEMJZPHEUEP-WOPDTQHZSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000942014020 663411367 /nfs/dbraw/zinc/41/13/67/663411367.db2.gz HMTSFNWHYGHFDG-GMTAPVOTSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057534 663411542 /nfs/dbraw/zinc/41/15/42/663411542.db2.gz NWOTXVQQPGOHRS-PWSUYJOCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057534 663411544 /nfs/dbraw/zinc/41/15/44/663411544.db2.gz NWOTXVQQPGOHRS-PWSUYJOCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000942035415 663411801 /nfs/dbraw/zinc/41/18/01/663411801.db2.gz WOORSLMWIJFGGC-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cncn3)C2)n1 ZINC000995195952 663411834 /nfs/dbraw/zinc/41/18/34/663411834.db2.gz NEZGAPJXTYOCRG-WDEREUQCSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057325 663411861 /nfs/dbraw/zinc/41/18/61/663411861.db2.gz MOVSOIBTEBGOHW-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942055548 663411925 /nfs/dbraw/zinc/41/19/25/663411925.db2.gz AMHOKZKCNWGXLF-RYUDHWBXSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942052986 663412151 /nfs/dbraw/zinc/41/21/51/663412151.db2.gz INFOTVUKCVXTHF-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000942061049 663412461 /nfs/dbraw/zinc/41/24/61/663412461.db2.gz IAAPSMADDQPSPG-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061706 663412670 /nfs/dbraw/zinc/41/26/70/663412670.db2.gz OBPPDYLPYWAOKJ-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000942098809 663413040 /nfs/dbraw/zinc/41/30/40/663413040.db2.gz BBLBWCZBQORSIJ-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000942098812 663413143 /nfs/dbraw/zinc/41/31/43/663413143.db2.gz BBLBWCZBQORSIJ-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000942106472 663413214 /nfs/dbraw/zinc/41/32/14/663413214.db2.gz PCVPYUCHALJLEW-VXGBXAGGSA-N 1 1 324.381 -1.634 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000942106471 663413264 /nfs/dbraw/zinc/41/32/64/663413264.db2.gz PCVPYUCHALJLEW-RYUDHWBXSA-N 1 1 324.381 -1.634 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865007 663413518 /nfs/dbraw/zinc/41/35/18/663413518.db2.gz NSYCINBPUAWFAB-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865007 663413519 /nfs/dbraw/zinc/41/35/19/663413519.db2.gz NSYCINBPUAWFAB-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142909 663413573 /nfs/dbraw/zinc/41/35/73/663413573.db2.gz MBIVMTFWPMHWQY-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142909 663413575 /nfs/dbraw/zinc/41/35/75/663413575.db2.gz MBIVMTFWPMHWQY-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000942201130 663415963 /nfs/dbraw/zinc/41/59/63/663415963.db2.gz SBHWSFDBARNSBH-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942199150 663416073 /nfs/dbraw/zinc/41/60/73/663416073.db2.gz ALKITBWFRFYCAU-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000942201131 663416250 /nfs/dbraw/zinc/41/62/50/663416250.db2.gz SBHWSFDBARNSBH-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCCNC1=O ZINC000942258550 663417400 /nfs/dbraw/zinc/41/74/00/663417400.db2.gz PUYRLJWWKVADON-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCCNC1=O ZINC000942258550 663417406 /nfs/dbraw/zinc/41/74/06/663417406.db2.gz PUYRLJWWKVADON-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCCNC2=O)C1 ZINC000995222699 663417623 /nfs/dbraw/zinc/41/76/23/663417623.db2.gz NBFGMLUZTHFNNW-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000942281499 663417809 /nfs/dbraw/zinc/41/78/09/663417809.db2.gz RALJPDFXSOGBME-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000942281499 663417810 /nfs/dbraw/zinc/41/78/10/663417810.db2.gz RALJPDFXSOGBME-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000942300498 663419170 /nfs/dbraw/zinc/41/91/70/663419170.db2.gz KFVJAJLYVYGNFC-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC000942301383 663419268 /nfs/dbraw/zinc/41/92/68/663419268.db2.gz VHLUTKZFTYOEIH-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)CC2 ZINC000942308235 663420438 /nfs/dbraw/zinc/42/04/38/663420438.db2.gz PTJGDNDTFVEPJZ-WDEREUQCSA-N 1 1 319.365 -1.044 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)no1 ZINC000942309126 663420888 /nfs/dbraw/zinc/42/08/88/663420888.db2.gz MNJDIZNTCQNPKJ-MRVPVSSYSA-N 1 1 309.326 -1.448 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCCNC3=O)C2)C1 ZINC000995228372 663421535 /nfs/dbraw/zinc/42/15/35/663421535.db2.gz VNQFGIQWBFZZEL-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942315442 663421656 /nfs/dbraw/zinc/42/16/56/663421656.db2.gz UJAYXQXQTKYLTG-WDEREUQCSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000942430019 663423366 /nfs/dbraw/zinc/42/33/66/663423366.db2.gz OSDKSRMIRKWNEB-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000942433462 663423462 /nfs/dbraw/zinc/42/34/62/663423462.db2.gz SNNVZFUMRSWIEE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942462010 663424633 /nfs/dbraw/zinc/42/46/33/663424633.db2.gz VVKMMMNMSZQNQR-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942460304 663424687 /nfs/dbraw/zinc/42/46/87/663424687.db2.gz IEPMVDQZIWOEMW-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942460304 663424690 /nfs/dbraw/zinc/42/46/90/663424690.db2.gz IEPMVDQZIWOEMW-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563159 663426215 /nfs/dbraw/zinc/42/62/15/663426215.db2.gz VSZCZTBYNKNLSB-KOLCDFICSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563159 663426216 /nfs/dbraw/zinc/42/62/16/663426216.db2.gz VSZCZTBYNKNLSB-KOLCDFICSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942561628 663426229 /nfs/dbraw/zinc/42/62/29/663426229.db2.gz ALFQEMLXXRXWOI-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559436 663426416 /nfs/dbraw/zinc/42/64/16/663426416.db2.gz BXMBSVWTEVDJOU-QWRGUYRKSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559436 663426421 /nfs/dbraw/zinc/42/64/21/663426421.db2.gz BXMBSVWTEVDJOU-QWRGUYRKSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942561670 663426499 /nfs/dbraw/zinc/42/64/99/663426499.db2.gz AYBTXSLAMCVOON-VHSXEESVSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942567868 663426505 /nfs/dbraw/zinc/42/65/05/663426505.db2.gz SGLGRPNWFDQVRX-GHMZBOCLSA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942567871 663426554 /nfs/dbraw/zinc/42/65/54/663426554.db2.gz SGLGRPNWFDQVRX-QWRGUYRKSA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562048 663426768 /nfs/dbraw/zinc/42/67/68/663426768.db2.gz GNYHTVFTUQNKIL-GXSJLCMTSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562048 663426769 /nfs/dbraw/zinc/42/67/69/663426769.db2.gz GNYHTVFTUQNKIL-GXSJLCMTSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562051 663426809 /nfs/dbraw/zinc/42/68/09/663426809.db2.gz GNYHTVFTUQNKIL-ONGXEEELSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942562051 663426814 /nfs/dbraw/zinc/42/68/14/663426814.db2.gz GNYHTVFTUQNKIL-ONGXEEELSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942595250 663427480 /nfs/dbraw/zinc/42/74/80/663427480.db2.gz WHJRLRSXKHRRFH-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC000942589242 663427758 /nfs/dbraw/zinc/42/77/58/663427758.db2.gz VFSNMJLBRWHXDY-NXEZZACHSA-N 1 1 307.354 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000995277460 663429434 /nfs/dbraw/zinc/42/94/34/663429434.db2.gz ZUINIZKTAFMUCK-MWLCHTKSSA-N 1 1 322.365 -1.540 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001032051506 663430119 /nfs/dbraw/zinc/43/01/19/663430119.db2.gz QTGQUTSHYNTTKN-LLVKDONJSA-N 1 1 322.365 -1.634 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001032052412 663430769 /nfs/dbraw/zinc/43/07/69/663430769.db2.gz KSKLJTNVRHIUMK-LLVKDONJSA-N 1 1 322.365 -1.682 20 0 DAADMO CCn1nc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001032058516 663431864 /nfs/dbraw/zinc/43/18/64/663431864.db2.gz FTRDAKBHGOJNNE-LBPRGKRZSA-N 1 1 319.365 -1.187 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001032063429 663432271 /nfs/dbraw/zinc/43/22/71/663432271.db2.gz ZYUCONJWWAVDGG-UHFFFAOYSA-N 1 1 308.298 -1.717 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000943230242 663432632 /nfs/dbraw/zinc/43/26/32/663432632.db2.gz FTFIFMVLVJKAGU-PWSUYJOCSA-N 1 1 324.381 -1.484 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000943230241 663432800 /nfs/dbraw/zinc/43/28/00/663432800.db2.gz FTFIFMVLVJKAGU-JQWIXIFHSA-N 1 1 324.381 -1.484 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000943230243 663432851 /nfs/dbraw/zinc/43/28/51/663432851.db2.gz FTFIFMVLVJKAGU-ZYHUDNBSSA-N 1 1 324.381 -1.484 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943268272 663433327 /nfs/dbraw/zinc/43/33/27/663433327.db2.gz XKLUHEAYAKZKBT-GHMZBOCLSA-N 1 1 323.353 -1.591 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c1 ZINC001032075015 663433723 /nfs/dbraw/zinc/43/37/23/663433723.db2.gz CLTOXDHOYXVZHV-NSHDSACASA-N 1 1 305.338 -1.336 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000943495143 663435907 /nfs/dbraw/zinc/43/59/07/663435907.db2.gz BWQCARVNYZKCRZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000943495143 663435909 /nfs/dbraw/zinc/43/59/09/663435909.db2.gz BWQCARVNYZKCRZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](C)C1 ZINC000943547840 663436282 /nfs/dbraw/zinc/43/62/82/663436282.db2.gz JXLYXINKDDPRSD-ONGXEEELSA-N 1 1 324.381 -1.388 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000943662043 663437178 /nfs/dbraw/zinc/43/71/78/663437178.db2.gz FJXOZTMLHBLIOY-DCAQKATOSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000943662043 663437179 /nfs/dbraw/zinc/43/71/79/663437179.db2.gz FJXOZTMLHBLIOY-DCAQKATOSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995385290 663438004 /nfs/dbraw/zinc/43/80/04/663438004.db2.gz WMZZJXAQGHPLKN-CMPLNLGQSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995385290 663438010 /nfs/dbraw/zinc/43/80/10/663438010.db2.gz WMZZJXAQGHPLKN-CMPLNLGQSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995389073 663438609 /nfs/dbraw/zinc/43/86/09/663438609.db2.gz IRTFPBGBHSNHIX-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000943920032 663439743 /nfs/dbraw/zinc/43/97/43/663439743.db2.gz PLZLABIPRMWHES-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000943920032 663439744 /nfs/dbraw/zinc/43/97/44/663439744.db2.gz PLZLABIPRMWHES-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000943920029 663439810 /nfs/dbraw/zinc/43/98/10/663439810.db2.gz PLZLABIPRMWHES-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000943920029 663439812 /nfs/dbraw/zinc/43/98/12/663439812.db2.gz PLZLABIPRMWHES-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995426683 663441015 /nfs/dbraw/zinc/44/10/15/663441015.db2.gz GZNRZGHGYZTEHN-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)n1 ZINC000995417246 663441049 /nfs/dbraw/zinc/44/10/49/663441049.db2.gz SZKSLUCEXVKHJY-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000944030753 663442175 /nfs/dbraw/zinc/44/21/75/663442175.db2.gz AKXIYJPQCOFAAL-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001032136549 663442338 /nfs/dbraw/zinc/44/23/38/663442338.db2.gz AAVGTUWASQQXFP-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000944030608 663442768 /nfs/dbraw/zinc/44/27/68/663442768.db2.gz MYPAWXWFYFYECA-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000944030612 663442955 /nfs/dbraw/zinc/44/29/55/663442955.db2.gz MYPAWXWFYFYECA-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001032176531 663443498 /nfs/dbraw/zinc/44/34/98/663443498.db2.gz JRZILCJYXWRYDN-SECBINFHSA-N 1 1 320.353 -1.499 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182087 663445042 /nfs/dbraw/zinc/44/50/42/663445042.db2.gz DQRQGPREKIUSLK-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001032183100 663445068 /nfs/dbraw/zinc/44/50/68/663445068.db2.gz ZWOMMYRXIOEVSQ-LLVKDONJSA-N 1 1 308.386 -1.392 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001032186852 663445761 /nfs/dbraw/zinc/44/57/61/663445761.db2.gz YGZXQSCRZNZCLZ-GFCCVEGCSA-N 1 1 323.397 -1.462 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000944156275 663446050 /nfs/dbraw/zinc/44/60/50/663446050.db2.gz SXVJROQUMBHZQU-VHSXEESVSA-N 1 1 320.353 -1.150 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000944135460 663446102 /nfs/dbraw/zinc/44/61/02/663446102.db2.gz MHWACNLUYWKYRL-MNOVXSKESA-N 1 1 312.370 -1.301 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000944201950 663446641 /nfs/dbraw/zinc/44/66/41/663446641.db2.gz SNPPJRLCJRTJIS-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000944201950 663446645 /nfs/dbraw/zinc/44/66/45/663446645.db2.gz SNPPJRLCJRTJIS-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)no1 ZINC000944248590 663448379 /nfs/dbraw/zinc/44/83/79/663448379.db2.gz MQIQXLKSUKFBOK-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC000995480943 663450558 /nfs/dbraw/zinc/45/05/58/663450558.db2.gz DAMJARPEZRDLSO-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001032201696 663451519 /nfs/dbraw/zinc/45/15/19/663451519.db2.gz IPIQXFPJAOCIAZ-CYBMUJFWSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)C1 ZINC001032201696 663451520 /nfs/dbraw/zinc/45/15/20/663451520.db2.gz IPIQXFPJAOCIAZ-CYBMUJFWSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)C1 ZINC001032201504 663451546 /nfs/dbraw/zinc/45/15/46/663451546.db2.gz GIPBOMXTURANKP-LBPRGKRZSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)C1 ZINC001032201504 663451548 /nfs/dbraw/zinc/45/15/48/663451548.db2.gz GIPBOMXTURANKP-LBPRGKRZSA-N 1 1 323.401 -1.521 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)c(=O)n1C ZINC000944491792 663453716 /nfs/dbraw/zinc/45/37/16/663453716.db2.gz MCCFFUPJDHSNPT-ONGXEEELSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)c(=O)n1C ZINC000944491792 663453720 /nfs/dbraw/zinc/45/37/20/663453720.db2.gz MCCFFUPJDHSNPT-ONGXEEELSA-N 1 1 324.385 -1.798 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2cnn[n-]2)CCO1 ZINC000944516120 663454558 /nfs/dbraw/zinc/45/45/58/663454558.db2.gz MJWREFHTPSGJMY-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516120 663454561 /nfs/dbraw/zinc/45/45/61/663454561.db2.gz MJWREFHTPSGJMY-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516120 663454563 /nfs/dbraw/zinc/45/45/63/663454563.db2.gz MJWREFHTPSGJMY-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncn[n-]2)CCO1 ZINC000944518711 663454637 /nfs/dbraw/zinc/45/46/37/663454637.db2.gz GAHXZBOKGSMELZ-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518711 663454642 /nfs/dbraw/zinc/45/46/42/663454642.db2.gz GAHXZBOKGSMELZ-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518711 663454646 /nfs/dbraw/zinc/45/46/46/663454646.db2.gz GAHXZBOKGSMELZ-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnn[n-]2)CCO1 ZINC000944516123 663454736 /nfs/dbraw/zinc/45/47/36/663454736.db2.gz MJWREFHTPSGJMY-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516123 663454738 /nfs/dbraw/zinc/45/47/38/663454738.db2.gz MJWREFHTPSGJMY-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516123 663454740 /nfs/dbraw/zinc/45/47/40/663454740.db2.gz MJWREFHTPSGJMY-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206824 663456489 /nfs/dbraw/zinc/45/64/89/663456489.db2.gz JWXNJERVHUOBAY-SNVBAGLBSA-N 1 1 323.357 -2.311 20 0 DAADMO COCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000944527391 663457275 /nfs/dbraw/zinc/45/72/75/663457275.db2.gz XLBJURMTQLZMTM-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000944527391 663457280 /nfs/dbraw/zinc/45/72/80/663457280.db2.gz XLBJURMTQLZMTM-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2C)c(=O)n1C ZINC000944534115 663457927 /nfs/dbraw/zinc/45/79/27/663457927.db2.gz RVYOKBVIKFMHRY-PWSUYJOCSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)C1 ZINC000944597115 663459432 /nfs/dbraw/zinc/45/94/32/663459432.db2.gz PDCJFMFNCMOJTO-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)C1 ZINC000944598279 663459454 /nfs/dbraw/zinc/45/94/54/663459454.db2.gz AGVSZDLHRQZLQP-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)C1 ZINC000944598278 663459687 /nfs/dbraw/zinc/45/96/87/663459687.db2.gz AGVSZDLHRQZLQP-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211368 663460367 /nfs/dbraw/zinc/46/03/67/663460367.db2.gz MOJIIVCTBYMOTF-UHFFFAOYSA-N 1 1 309.370 -1.526 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635835 663460793 /nfs/dbraw/zinc/46/07/93/663460793.db2.gz UZXIINALHXNISN-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635835 663460797 /nfs/dbraw/zinc/46/07/97/663460797.db2.gz UZXIINALHXNISN-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000944659750 663462601 /nfs/dbraw/zinc/46/26/01/663462601.db2.gz UILZSKAJTCGDQX-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)c1nnnn1C ZINC000995566587 663462678 /nfs/dbraw/zinc/46/26/78/663462678.db2.gz RFFMKSRKDGCFKY-DTWKUNHWSA-N 1 1 309.374 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000944743227 663466909 /nfs/dbraw/zinc/46/69/09/663466909.db2.gz WBCXJRCHVHRKQF-WDEREUQCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000944743225 663467125 /nfs/dbraw/zinc/46/71/25/663467125.db2.gz WBCXJRCHVHRKQF-MNOVXSKESA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813756 663468081 /nfs/dbraw/zinc/46/80/81/663468081.db2.gz WOWRMMGHVUIEHJ-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813756 663468084 /nfs/dbraw/zinc/46/80/84/663468084.db2.gz WOWRMMGHVUIEHJ-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813705 663468221 /nfs/dbraw/zinc/46/82/21/663468221.db2.gz WOWRMMGHVUIEHJ-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813705 663468222 /nfs/dbraw/zinc/46/82/22/663468222.db2.gz WOWRMMGHVUIEHJ-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944787088 663468235 /nfs/dbraw/zinc/46/82/35/663468235.db2.gz AIGXWUMSUABNDG-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000995646776 663468241 /nfs/dbraw/zinc/46/82/41/663468241.db2.gz CJFDZPKXWQQYFZ-NSHDSACASA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789602 663468265 /nfs/dbraw/zinc/46/82/65/663468265.db2.gz LMCYAJJOICEAPM-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789602 663468267 /nfs/dbraw/zinc/46/82/67/663468267.db2.gz LMCYAJJOICEAPM-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811989 663468279 /nfs/dbraw/zinc/46/82/79/663468279.db2.gz RLGINQUQQBKACS-BDAKNGLRSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811989 663468280 /nfs/dbraw/zinc/46/82/80/663468280.db2.gz RLGINQUQQBKACS-BDAKNGLRSA-N 1 1 320.353 -1.499 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944897230 663468453 /nfs/dbraw/zinc/46/84/53/663468453.db2.gz VFVJECQHAAZQOB-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944897230 663468454 /nfs/dbraw/zinc/46/84/54/663468454.db2.gz VFVJECQHAAZQOB-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001032223955 663468867 /nfs/dbraw/zinc/46/88/67/663468867.db2.gz LOTUEKCTLLHASX-SECBINFHSA-N 1 1 319.365 -1.023 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908597 663469041 /nfs/dbraw/zinc/46/90/41/663469041.db2.gz ROJIOUZEUPMICK-PSASIEDQSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908597 663469042 /nfs/dbraw/zinc/46/90/42/663469042.db2.gz ROJIOUZEUPMICK-PSASIEDQSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908599 663469161 /nfs/dbraw/zinc/46/91/61/663469161.db2.gz ROJIOUZEUPMICK-SCZZXKLOSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908599 663469163 /nfs/dbraw/zinc/46/91/63/663469163.db2.gz ROJIOUZEUPMICK-SCZZXKLOSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944907576 663469200 /nfs/dbraw/zinc/46/92/00/663469200.db2.gz NUXWKUCGDXKXOZ-GXSJLCMTSA-N 1 1 310.354 -1.082 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032226832 663469721 /nfs/dbraw/zinc/46/97/21/663469721.db2.gz YCTJGKTZWBAJCT-NEPJUHHUSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001032226833 663469942 /nfs/dbraw/zinc/46/99/42/663469942.db2.gz YCTJGKTZWBAJCT-RYUDHWBXSA-N 1 1 323.397 -1.144 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C1 ZINC000945183541 663471391 /nfs/dbraw/zinc/47/13/91/663471391.db2.gz RGDNKYYOXGLIJU-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183489 663471433 /nfs/dbraw/zinc/47/14/33/663471433.db2.gz RDZMSFRAZPICGU-IUCAKERBSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183489 663471434 /nfs/dbraw/zinc/47/14/34/663471434.db2.gz RDZMSFRAZPICGU-IUCAKERBSA-N 1 1 323.357 -2.311 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC000945183533 663471503 /nfs/dbraw/zinc/47/15/03/663471503.db2.gz RGDNKYYOXGLIJU-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945224402 663471776 /nfs/dbraw/zinc/47/17/76/663471776.db2.gz RHJDDKBEFQKFTC-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000995687003 663472818 /nfs/dbraw/zinc/47/28/18/663472818.db2.gz AFCHSHSBNOJSHX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000995687003 663472820 /nfs/dbraw/zinc/47/28/20/663472820.db2.gz AFCHSHSBNOJSHX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000995688086 663472884 /nfs/dbraw/zinc/47/28/84/663472884.db2.gz JNHYPIIMRZMWMJ-UHFFFAOYSA-N 1 1 322.369 -1.522 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC000945399913 663474038 /nfs/dbraw/zinc/47/40/38/663474038.db2.gz UVWHSMUSWPOAKL-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2ncnn2)CC1 ZINC000945400184 663474167 /nfs/dbraw/zinc/47/41/67/663474167.db2.gz YIEFSBXYXNUCGA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995699606 663474919 /nfs/dbraw/zinc/47/49/19/663474919.db2.gz FTVHPBMQLZXYFO-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032264276 663476032 /nfs/dbraw/zinc/47/60/32/663476032.db2.gz AHKQGMXSONSNSH-QXEWZRGKSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032264276 663476036 /nfs/dbraw/zinc/47/60/36/663476036.db2.gz AHKQGMXSONSNSH-QXEWZRGKSA-N 1 1 303.322 -1.031 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269576 663476908 /nfs/dbraw/zinc/47/69/08/663476908.db2.gz WLPBPWOZEYXNJG-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269576 663476909 /nfs/dbraw/zinc/47/69/09/663476909.db2.gz WLPBPWOZEYXNJG-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269550 663476991 /nfs/dbraw/zinc/47/69/91/663476991.db2.gz UXUUZUSHEWUVDG-DCAQKATOSA-N 1 1 305.342 -1.811 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269550 663476993 /nfs/dbraw/zinc/47/69/93/663476993.db2.gz UXUUZUSHEWUVDG-DCAQKATOSA-N 1 1 305.342 -1.811 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032269308 663477298 /nfs/dbraw/zinc/47/72/98/663477298.db2.gz KOAFQUYMNJTBRG-QWRGUYRKSA-N 1 1 320.357 -2.017 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032269308 663477299 /nfs/dbraw/zinc/47/72/99/663477299.db2.gz KOAFQUYMNJTBRG-QWRGUYRKSA-N 1 1 320.357 -2.017 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC1(C)C ZINC000995748510 663481802 /nfs/dbraw/zinc/48/18/02/663481802.db2.gz VVAKDENQZHEQDH-DTWKUNHWSA-N 1 1 323.357 -1.355 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)CC2(C)C)nn1 ZINC000995798661 663482518 /nfs/dbraw/zinc/48/25/18/663482518.db2.gz TYOBEFJDEJIXIZ-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000996061000 663482712 /nfs/dbraw/zinc/48/27/12/663482712.db2.gz SMWPSJNKELGUDY-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000996060996 663483073 /nfs/dbraw/zinc/48/30/73/663483073.db2.gz SMWPSJNKELGUDY-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000996057980 663483200 /nfs/dbraw/zinc/48/32/00/663483200.db2.gz ZGISJUSGCFQSJU-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC1(C)C ZINC000996120914 663483412 /nfs/dbraw/zinc/48/34/12/663483412.db2.gz ACDBBUCXHDODNN-NXEZZACHSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC1(C)C ZINC000996120921 663483489 /nfs/dbraw/zinc/48/34/89/663483489.db2.gz ACDBBUCXHDODNN-ZJUUUORDSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C ZINC000996156891 663483614 /nfs/dbraw/zinc/48/36/14/663483614.db2.gz ADVFLVKNZURCSB-VIFPVBQESA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CC2(C)C)nn1 ZINC000996215300 663483883 /nfs/dbraw/zinc/48/38/83/663483883.db2.gz UDKKZUYGUZTCMP-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996216893 663483889 /nfs/dbraw/zinc/48/38/89/663483889.db2.gz XTZHBRLXDIUZNB-NXEZZACHSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC2(C)C)n1 ZINC000996214457 663483905 /nfs/dbraw/zinc/48/39/05/663483905.db2.gz QAVDZCFIXPPYLI-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996216926 663483923 /nfs/dbraw/zinc/48/39/23/663483923.db2.gz XYYIYRJWMGAQTD-ZJUUUORDSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996216922 663484109 /nfs/dbraw/zinc/48/41/09/663484109.db2.gz XYYIYRJWMGAQTD-UWVGGRQHSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996211850 663484258 /nfs/dbraw/zinc/48/42/58/663484258.db2.gz JIWLKFWMGOEBAI-DTWKUNHWSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CC2(C)C)nn1 ZINC000996215302 663484290 /nfs/dbraw/zinc/48/42/90/663484290.db2.gz UDKKZUYGUZTCMP-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996259194 663485071 /nfs/dbraw/zinc/48/50/71/663485071.db2.gz NQVSKKVIUWLOSA-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996259194 663485072 /nfs/dbraw/zinc/48/50/72/663485072.db2.gz NQVSKKVIUWLOSA-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996285749 663485355 /nfs/dbraw/zinc/48/53/55/663485355.db2.gz XZLJQHXPCIAWSX-MEBBXXQBSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000996445392 663486552 /nfs/dbraw/zinc/48/65/52/663486552.db2.gz YDLVOMHGURPNNV-SECBINFHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000996439255 663486718 /nfs/dbraw/zinc/48/67/18/663486718.db2.gz BJTYBGYSMLYBOQ-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000996432881 663486793 /nfs/dbraw/zinc/48/67/93/663486793.db2.gz FVXITNYDAFDWAH-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)CC1(C)C ZINC000996422363 663486881 /nfs/dbraw/zinc/48/68/81/663486881.db2.gz NUAFJCOTOWGMOL-MRVPVSSYSA-N 1 1 305.346 -1.031 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)CC1(C)C ZINC000996422364 663486999 /nfs/dbraw/zinc/48/69/99/663486999.db2.gz NUAFJCOTOWGMOL-QMMMGPOBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000996443518 663487041 /nfs/dbraw/zinc/48/70/41/663487041.db2.gz SQWCAXVXMHCNGA-GXSJLCMTSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)CC1(C)C ZINC000996506517 663487698 /nfs/dbraw/zinc/48/76/98/663487698.db2.gz MJQMRUJTBJCIKR-SECBINFHSA-N 1 1 319.373 -1.103 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)Cc2nnc[nH]2)CC1(C)C ZINC000996506519 663487831 /nfs/dbraw/zinc/48/78/31/663487831.db2.gz MJQMRUJTBJCIKR-VIFPVBQESA-N 1 1 319.373 -1.103 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC1(C)C ZINC000996536587 663488420 /nfs/dbraw/zinc/48/84/20/663488420.db2.gz QAWGPFUMVCIHSK-VHSXEESVSA-N 1 1 321.385 -1.185 20 0 DAADMO COc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)co1 ZINC000996560865 663488725 /nfs/dbraw/zinc/48/87/25/663488725.db2.gz VCEBDDLUYDLQMQ-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO COc1nc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)co1 ZINC000996560865 663488730 /nfs/dbraw/zinc/48/87/30/663488730.db2.gz VCEBDDLUYDLQMQ-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO COc1nc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)co1 ZINC000996560863 663488926 /nfs/dbraw/zinc/48/89/26/663488926.db2.gz VCEBDDLUYDLQMQ-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO COc1nc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)co1 ZINC000996560863 663488927 /nfs/dbraw/zinc/48/89/27/663488927.db2.gz VCEBDDLUYDLQMQ-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC000996580894 663488932 /nfs/dbraw/zinc/48/89/32/663488932.db2.gz HHXJPQQMKJONFI-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCNC3=O)CC2)n1 ZINC000996657431 663489858 /nfs/dbraw/zinc/48/98/58/663489858.db2.gz KGZRVAZTGZTZHN-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C2CCC(NC(=O)C(N)=O)CC2)CC1 ZINC000996787120 663493462 /nfs/dbraw/zinc/49/34/62/663493462.db2.gz BZXXDJQFJAQUMW-HIFPTAJRSA-N 1 1 312.414 -1.103 20 0 DAADMO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)nnn1C ZINC001032328108 663493648 /nfs/dbraw/zinc/49/36/48/663493648.db2.gz JNDFOXXLBAHGJM-GARJFASQSA-N 1 1 304.354 -1.089 20 0 DAADMO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)nnn1C ZINC001032328108 663493652 /nfs/dbraw/zinc/49/36/52/663493652.db2.gz JNDFOXXLBAHGJM-GARJFASQSA-N 1 1 304.354 -1.089 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735051150 663495422 /nfs/dbraw/zinc/49/54/22/663495422.db2.gz FESWELLFGVWZKR-NSHDSACASA-N 1 1 323.397 -1.550 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC000996873556 663496233 /nfs/dbraw/zinc/49/62/33/663496233.db2.gz PTQGYTVQALKXON-SNVBAGLBSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)n1 ZINC000996881072 663496475 /nfs/dbraw/zinc/49/64/75/663496475.db2.gz PQRUARMBMFVOQW-GHMZBOCLSA-N 1 1 321.385 -1.198 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)n1 ZINC000996881077 663496651 /nfs/dbraw/zinc/49/66/51/663496651.db2.gz PQRUARMBMFVOQW-WDEREUQCSA-N 1 1 321.385 -1.198 20 0 DAADMO O=C(CCc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032341658 663497167 /nfs/dbraw/zinc/49/71/67/663497167.db2.gz FHNOPOJHPQOCAG-DCAQKATOSA-N 1 1 304.354 -1.089 20 0 DAADMO O=C(CCc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032341658 663497169 /nfs/dbraw/zinc/49/71/69/663497169.db2.gz FHNOPOJHPQOCAG-DCAQKATOSA-N 1 1 304.354 -1.089 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC000996933164 663499253 /nfs/dbraw/zinc/49/92/53/663499253.db2.gz VHMVKKDVACGGOV-SECBINFHSA-N 1 1 308.346 -2.028 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032361119 663499789 /nfs/dbraw/zinc/49/97/89/663499789.db2.gz DUAMVFCHGXUOEJ-AVGNSLFASA-N 1 1 308.382 -1.508 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032361119 663499791 /nfs/dbraw/zinc/49/97/91/663499791.db2.gz DUAMVFCHGXUOEJ-AVGNSLFASA-N 1 1 308.382 -1.508 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CCOCC2)C1=O ZINC001032364200 663499854 /nfs/dbraw/zinc/49/98/54/663499854.db2.gz DSFXLOJBCBLDLL-MELADBBJSA-N 1 1 322.409 -1.166 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)c1N ZINC001032367006 663500360 /nfs/dbraw/zinc/50/03/60/663500360.db2.gz FODJSNCJTRSHRM-QXEWZRGKSA-N 1 1 304.354 -1.211 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)c1N ZINC001032367006 663500364 /nfs/dbraw/zinc/50/03/64/663500364.db2.gz FODJSNCJTRSHRM-QXEWZRGKSA-N 1 1 304.354 -1.211 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(C)C2=O)C1 ZINC001032375834 663502824 /nfs/dbraw/zinc/50/28/24/663502824.db2.gz ZUUMRTFLSWLWRV-IHRRRGAJSA-N 1 1 320.393 -1.020 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(C)C2=O)C1 ZINC001032375834 663502826 /nfs/dbraw/zinc/50/28/26/663502826.db2.gz ZUUMRTFLSWLWRV-IHRRRGAJSA-N 1 1 320.393 -1.020 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032384902 663503694 /nfs/dbraw/zinc/50/36/94/663503694.db2.gz XQBNDSSZXSNRAN-DCAQKATOSA-N 1 1 306.326 -1.328 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032384902 663503695 /nfs/dbraw/zinc/50/36/95/663503695.db2.gz XQBNDSSZXSNRAN-DCAQKATOSA-N 1 1 306.326 -1.328 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001032387661 663503999 /nfs/dbraw/zinc/50/39/99/663503999.db2.gz HGOCMYOJXLAOJG-QXEWZRGKSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001032387661 663504000 /nfs/dbraw/zinc/50/40/00/663504000.db2.gz HGOCMYOJXLAOJG-QXEWZRGKSA-N 1 1 318.337 -1.481 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997121039 663504439 /nfs/dbraw/zinc/50/44/39/663504439.db2.gz YGXSSOQUMPLYNG-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997121039 663504441 /nfs/dbraw/zinc/50/44/41/663504441.db2.gz YGXSSOQUMPLYNG-NWDGAFQWSA-N 1 1 324.381 -1.687 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032405783 663505162 /nfs/dbraw/zinc/50/51/62/663505162.db2.gz BKYJWBXMGSEPKS-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032405783 663505165 /nfs/dbraw/zinc/50/51/65/663505165.db2.gz BKYJWBXMGSEPKS-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406305 663505818 /nfs/dbraw/zinc/50/58/18/663505818.db2.gz MBLJMQUPMGEQTF-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406574 663505836 /nfs/dbraw/zinc/50/58/36/663505836.db2.gz QFROLAIDWHTGSL-GARJFASQSA-N 1 1 305.342 -1.811 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406574 663505837 /nfs/dbraw/zinc/50/58/37/663505837.db2.gz QFROLAIDWHTGSL-GARJFASQSA-N 1 1 305.342 -1.811 20 0 DAADMO NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000997189842 663507536 /nfs/dbraw/zinc/50/75/36/663507536.db2.gz GGFDHVPMJYEJBP-VIFPVBQESA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000997189842 663507538 /nfs/dbraw/zinc/50/75/38/663507538.db2.gz GGFDHVPMJYEJBP-VIFPVBQESA-N 1 1 306.370 -1.025 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032425382 663509940 /nfs/dbraw/zinc/50/99/40/663509940.db2.gz OTPUTVFRPSMYSU-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032425382 663509942 /nfs/dbraw/zinc/50/99/42/663509942.db2.gz OTPUTVFRPSMYSU-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)C1=O ZINC001032425202 663510402 /nfs/dbraw/zinc/51/04/02/663510402.db2.gz HDAGEZKAHNCACO-SRVKXCTJSA-N 1 1 304.354 -1.206 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)C1=O ZINC001032425202 663510406 /nfs/dbraw/zinc/51/04/06/663510406.db2.gz HDAGEZKAHNCACO-SRVKXCTJSA-N 1 1 304.354 -1.206 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)C1 ZINC000997354796 663510471 /nfs/dbraw/zinc/51/04/71/663510471.db2.gz WLHFUAFMFKBDNT-NSHDSACASA-N 1 1 322.369 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3[nH]nnc3C)C2)C1 ZINC000997354796 663510472 /nfs/dbraw/zinc/51/04/72/663510472.db2.gz WLHFUAFMFKBDNT-NSHDSACASA-N 1 1 322.369 -1.226 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032434533 663511073 /nfs/dbraw/zinc/51/10/73/663511073.db2.gz KUBGZJQOPSVIEH-RYUDHWBXSA-N 1 1 317.411 -1.311 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O ZINC001032434430 663511122 /nfs/dbraw/zinc/51/11/22/663511122.db2.gz HAORAJOLLHOWIG-WOPDTQHZSA-N 1 1 317.411 -1.312 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001032452121 663511181 /nfs/dbraw/zinc/51/11/81/663511181.db2.gz JSCWIVMTZHFIOW-NAKRPEOUSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032452451 663511192 /nfs/dbraw/zinc/51/11/92/663511192.db2.gz ZCZOOJGEMCTVHI-XKNYDFJKSA-N 1 1 321.337 -2.242 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032452451 663511193 /nfs/dbraw/zinc/51/11/93/663511193.db2.gz ZCZOOJGEMCTVHI-XKNYDFJKSA-N 1 1 321.337 -2.242 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032434432 663511312 /nfs/dbraw/zinc/51/13/12/663511312.db2.gz HCQPMDZMGJARRZ-QWRGUYRKSA-N 1 1 303.384 -1.701 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032434432 663511315 /nfs/dbraw/zinc/51/13/15/663511315.db2.gz HCQPMDZMGJARRZ-QWRGUYRKSA-N 1 1 303.384 -1.701 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032463670 663511744 /nfs/dbraw/zinc/51/17/44/663511744.db2.gz CASFYBKMMGZGOT-YFKTTZPYSA-N 1 1 306.366 -1.171 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032463670 663511745 /nfs/dbraw/zinc/51/17/45/663511745.db2.gz CASFYBKMMGZGOT-YFKTTZPYSA-N 1 1 306.366 -1.171 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCNC(=O)C3)C2)C1 ZINC000997395184 663512924 /nfs/dbraw/zinc/51/29/24/663512924.db2.gz FSDYRROHFDIEBX-LLVKDONJSA-N 1 1 323.397 -2.303 20 0 DAADMO Cn1c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c[nH]c1=O ZINC000997433458 663513617 /nfs/dbraw/zinc/51/36/17/663513617.db2.gz JNXAQNHYNLYKNN-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c[nH]c1=O ZINC000997433458 663513621 /nfs/dbraw/zinc/51/36/21/663513621.db2.gz JNXAQNHYNLYKNN-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997411122 663515045 /nfs/dbraw/zinc/51/50/45/663515045.db2.gz PLCUGILLFVDECQ-WDEREUQCSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997411122 663515052 /nfs/dbraw/zinc/51/50/52/663515052.db2.gz PLCUGILLFVDECQ-WDEREUQCSA-N 1 1 310.354 -2.220 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997428699 663516883 /nfs/dbraw/zinc/51/68/83/663516883.db2.gz ZTEZRAPOYHJMFE-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997429916 663517060 /nfs/dbraw/zinc/51/70/60/663517060.db2.gz FDZCXSWZFSITPG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997429916 663517061 /nfs/dbraw/zinc/51/70/61/663517061.db2.gz FDZCXSWZFSITPG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997428960 663517137 /nfs/dbraw/zinc/51/71/37/663517137.db2.gz CACSXXDZEGXZQI-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997440403 663517606 /nfs/dbraw/zinc/51/76/06/663517606.db2.gz DOWGSYFRKALYEB-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997440400 663517705 /nfs/dbraw/zinc/51/77/05/663517705.db2.gz DOWGSYFRKALYEB-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997451362 663519161 /nfs/dbraw/zinc/51/91/61/663519161.db2.gz NRSSQYQRBLCZFW-GXSJLCMTSA-N 1 1 309.370 -1.711 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000997449645 663519245 /nfs/dbraw/zinc/51/92/45/663519245.db2.gz XUCSWKYPCQKBQF-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032493751 663520652 /nfs/dbraw/zinc/52/06/52/663520652.db2.gz JTVKEQLGRHYHPC-OYNCUSHFSA-N 1 1 304.310 -1.491 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032493751 663520650 /nfs/dbraw/zinc/52/06/50/663520650.db2.gz JTVKEQLGRHYHPC-OYNCUSHFSA-N 1 1 304.310 -1.491 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)ncc1=O ZINC000997533802 663520841 /nfs/dbraw/zinc/52/08/41/663520841.db2.gz XHCWEPUPQAPTIU-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032503887 663521236 /nfs/dbraw/zinc/52/12/36/663521236.db2.gz XBAQFQBUTCGIBL-QWRGUYRKSA-N 1 1 308.338 -1.384 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001032503110 663521298 /nfs/dbraw/zinc/52/12/98/663521298.db2.gz FYAYMSSUESJRPG-VWYCJHECSA-N 1 1 308.338 -1.385 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032536412 663523148 /nfs/dbraw/zinc/52/31/48/663523148.db2.gz QPQNANSJISZFRA-SRVKXCTJSA-N 1 1 305.338 -1.357 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032536412 663523151 /nfs/dbraw/zinc/52/31/51/663523151.db2.gz QPQNANSJISZFRA-SRVKXCTJSA-N 1 1 305.338 -1.357 20 0 DAADMO Cn1cc(C(=O)N2CCC(C[NH2+]Cc3nnn(C)n3)CC2)nn1 ZINC000997754112 663524890 /nfs/dbraw/zinc/52/48/90/663524890.db2.gz BFYZOJIMGUXSDS-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809053 663526013 /nfs/dbraw/zinc/52/60/13/663526013.db2.gz XRFZBFOGBBMJPW-LLVKDONJSA-N 1 1 322.369 -1.146 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)Cn3ncnn3)CC2)n1 ZINC000997779527 663526034 /nfs/dbraw/zinc/52/60/34/663526034.db2.gz DIBPSXJRLVGKSU-UHFFFAOYSA-N 1 1 320.361 -1.775 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001032558879 663527725 /nfs/dbraw/zinc/52/77/25/663527725.db2.gz NBOOIMSNFSDNRZ-AGIUHOORSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032558894 663527870 /nfs/dbraw/zinc/52/78/70/663527870.db2.gz NOASHAXHEMZJMX-IHRRRGAJSA-N 1 1 322.409 -1.260 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000997865181 663528469 /nfs/dbraw/zinc/52/84/69/663528469.db2.gz RSBKKWOHSCIOTJ-UHFFFAOYSA-N 1 1 323.357 -2.127 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000997865207 663528761 /nfs/dbraw/zinc/52/87/61/663528761.db2.gz SAQOPGLTJWSYCL-SECBINFHSA-N 1 1 309.330 -2.519 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000997865207 663528767 /nfs/dbraw/zinc/52/87/67/663528767.db2.gz SAQOPGLTJWSYCL-SECBINFHSA-N 1 1 309.330 -2.519 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032559956 663528970 /nfs/dbraw/zinc/52/89/70/663528970.db2.gz NQRIOSHGFNAZNY-SDDRHHMPSA-N 1 1 321.381 -2.408 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032559956 663528972 /nfs/dbraw/zinc/52/89/72/663528972.db2.gz NQRIOSHGFNAZNY-SDDRHHMPSA-N 1 1 321.381 -2.408 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997874079 663529528 /nfs/dbraw/zinc/52/95/28/663529528.db2.gz XCJJFVFXGKFHJX-WCBMZHEXSA-N 1 1 307.358 -1.652 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC000997881734 663530802 /nfs/dbraw/zinc/53/08/02/663530802.db2.gz DOYVXAGFNWCOML-UHFFFAOYSA-N 1 1 305.346 -1.030 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000997916786 663531325 /nfs/dbraw/zinc/53/13/25/663531325.db2.gz OPYKWRPCYNDDPA-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000997916786 663531329 /nfs/dbraw/zinc/53/13/29/663531329.db2.gz OPYKWRPCYNDDPA-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO Cc1cnn(C)c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000997900766 663531395 /nfs/dbraw/zinc/53/13/95/663531395.db2.gz XKMSIWYIJHVHEL-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cnn(C)c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000997900766 663531397 /nfs/dbraw/zinc/53/13/97/663531397.db2.gz XKMSIWYIJHVHEL-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032575337 663531811 /nfs/dbraw/zinc/53/18/11/663531811.db2.gz BTYOSOWWXGVJIF-WHUHBCJBSA-N 1 1 319.361 -1.031 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032575337 663531813 /nfs/dbraw/zinc/53/18/13/663531813.db2.gz BTYOSOWWXGVJIF-WHUHBCJBSA-N 1 1 319.361 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997924587 663532802 /nfs/dbraw/zinc/53/28/02/663532802.db2.gz IDXYZMMZJSPGOB-XQHKEYJVSA-N 1 1 309.366 -1.464 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997924587 663532806 /nfs/dbraw/zinc/53/28/06/663532806.db2.gz IDXYZMMZJSPGOB-XQHKEYJVSA-N 1 1 309.366 -1.464 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)C1=O ZINC001032591901 663534217 /nfs/dbraw/zinc/53/42/17/663534217.db2.gz XDVONNQGLCZXOA-NHCYSSNCSA-N 1 1 317.349 -1.101 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)C1=O ZINC001032591901 663534220 /nfs/dbraw/zinc/53/42/20/663534220.db2.gz XDVONNQGLCZXOA-NHCYSSNCSA-N 1 1 317.349 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC000997981212 663534401 /nfs/dbraw/zinc/53/44/01/663534401.db2.gz AOLDHNUIQNPXTI-UHFFFAOYSA-N 1 1 320.361 -1.624 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)C1=O ZINC001032591900 663534478 /nfs/dbraw/zinc/53/44/78/663534478.db2.gz XDVONNQGLCZXOA-JBLDHEPKSA-N 1 1 317.349 -1.101 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(=O)cn2)C1=O ZINC001032591900 663534481 /nfs/dbraw/zinc/53/44/81/663534481.db2.gz XDVONNQGLCZXOA-JBLDHEPKSA-N 1 1 317.349 -1.101 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032591356 663534494 /nfs/dbraw/zinc/53/44/94/663534494.db2.gz GKXNNQJVOWRFQQ-ATZCPNFKSA-N 1 1 303.322 -1.443 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032591356 663534497 /nfs/dbraw/zinc/53/44/97/663534497.db2.gz GKXNNQJVOWRFQQ-ATZCPNFKSA-N 1 1 303.322 -1.443 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cnoc3)C2)C1 ZINC000998065284 663535642 /nfs/dbraw/zinc/53/56/42/663535642.db2.gz UKEBCMORENLLBV-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cnoc3)C2)C1 ZINC000998065284 663535647 /nfs/dbraw/zinc/53/56/47/663535647.db2.gz UKEBCMORENLLBV-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998072016 663535902 /nfs/dbraw/zinc/53/59/02/663535902.db2.gz AJRRLSOXKZLJJE-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998072016 663535904 /nfs/dbraw/zinc/53/59/04/663535904.db2.gz AJRRLSOXKZLJJE-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC000946471271 663536569 /nfs/dbraw/zinc/53/65/69/663536569.db2.gz FBOGDBALHWRLAD-PHIMTYICSA-N 1 1 307.358 -1.671 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000998132179 663536701 /nfs/dbraw/zinc/53/67/01/663536701.db2.gz NQFARFNLTWXYHT-LLVKDONJSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000998132179 663536704 /nfs/dbraw/zinc/53/67/04/663536704.db2.gz NQFARFNLTWXYHT-LLVKDONJSA-N 1 1 312.370 -1.702 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001032600678 663536757 /nfs/dbraw/zinc/53/67/57/663536757.db2.gz WIZBHIJNWLQLHB-LPEHRKFASA-N 1 1 320.349 -1.658 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001032600678 663536760 /nfs/dbraw/zinc/53/67/60/663536760.db2.gz WIZBHIJNWLQLHB-LPEHRKFASA-N 1 1 320.349 -1.658 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998102788 663536908 /nfs/dbraw/zinc/53/69/08/663536908.db2.gz NKZRITQMMVVAAL-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCN2CCNC2=O)CC1 ZINC001032600432 663536954 /nfs/dbraw/zinc/53/69/54/663536954.db2.gz OHBNOGYNARNXGW-QWRGUYRKSA-N 1 1 321.381 -1.438 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCN2CCNC2=O)CC1 ZINC001032600432 663536957 /nfs/dbraw/zinc/53/69/57/663536957.db2.gz OHBNOGYNARNXGW-QWRGUYRKSA-N 1 1 321.381 -1.438 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000998149117 663537433 /nfs/dbraw/zinc/53/74/33/663537433.db2.gz DZMJNTZHIJCFFK-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cnon1 ZINC000998235744 663538650 /nfs/dbraw/zinc/53/86/50/663538650.db2.gz ITVDJRRMGQMIOY-PWSUYJOCSA-N 1 1 321.337 -1.127 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)C(N)=O ZINC000946500080 663540202 /nfs/dbraw/zinc/54/02/02/663540202.db2.gz KMKBPGJIIQILAQ-HBNTYKKESA-N 1 1 312.370 -1.702 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)O1 ZINC001032623742 663541013 /nfs/dbraw/zinc/54/10/13/663541013.db2.gz VTZJFPBTJXLFMH-ZDEQEGDKSA-N 1 1 311.382 -1.100 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)O1 ZINC001032623742 663541014 /nfs/dbraw/zinc/54/10/14/663541014.db2.gz VTZJFPBTJXLFMH-ZDEQEGDKSA-N 1 1 311.382 -1.100 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032630319 663541451 /nfs/dbraw/zinc/54/14/51/663541451.db2.gz IYUAIHSIKXCBND-YFKTTZPYSA-N 1 1 321.381 -1.582 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032630319 663541452 /nfs/dbraw/zinc/54/14/52/663541452.db2.gz IYUAIHSIKXCBND-YFKTTZPYSA-N 1 1 321.381 -1.582 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998421561 663542334 /nfs/dbraw/zinc/54/23/34/663542334.db2.gz DNGBXMANHQOUDU-UHFFFAOYSA-N 1 1 306.334 -2.024 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998486576 663542911 /nfs/dbraw/zinc/54/29/11/663542911.db2.gz ABIAHQAKUNSRPE-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 ZINC000998491277 663542913 /nfs/dbraw/zinc/54/29/13/663542913.db2.gz UMVRKPMZJSNHPU-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)Cn3cnnn3)C2)nn1 ZINC000998491279 663542919 /nfs/dbraw/zinc/54/29/19/663542919.db2.gz UMVRKPMZJSNHPU-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC000998467805 663543316 /nfs/dbraw/zinc/54/33/16/663543316.db2.gz XTBJQMYROMQKHQ-VWYCJHECSA-N 1 1 305.338 -1.075 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)CC2 ZINC000998559565 663543569 /nfs/dbraw/zinc/54/35/69/663543569.db2.gz DBCOYCKKPGONEY-SNVBAGLBSA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)CC2 ZINC000998559562 663543639 /nfs/dbraw/zinc/54/36/39/663543639.db2.gz DBCOYCKKPGONEY-JTQLQIEISA-N 1 1 319.365 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000998568800 663543754 /nfs/dbraw/zinc/54/37/54/663543754.db2.gz XTHIBRCORLUMMN-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998575718 663544050 /nfs/dbraw/zinc/54/40/50/663544050.db2.gz ZKMXYBOMCXHBEZ-KOLCDFICSA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C(=O)[C@@H]1COCCN1C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998655996 663544588 /nfs/dbraw/zinc/54/45/88/663544588.db2.gz IWPBJEPHNGZRMO-MCIGGMRASA-N 1 1 323.401 -1.380 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000998592371 663544687 /nfs/dbraw/zinc/54/46/87/663544687.db2.gz CMDHZAFJMYGZIS-WDEREUQCSA-N 1 1 310.358 -1.294 20 0 DAADMO CN(C(=O)[C@H]1CCNC(=O)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998618473 663544950 /nfs/dbraw/zinc/54/49/50/663544950.db2.gz MGIDHLJWYCBXBA-WHXUTIOJSA-N 1 1 321.385 -1.185 20 0 DAADMO CN(C(=O)[C@H]1COCCN1C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998655994 663545130 /nfs/dbraw/zinc/54/51/30/663545130.db2.gz IWPBJEPHNGZRMO-HTAVTVPLSA-N 1 1 323.401 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998674039 663547144 /nfs/dbraw/zinc/54/71/44/663547144.db2.gz LVAXVGMENJGWOQ-UWVGGRQHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998674039 663547149 /nfs/dbraw/zinc/54/71/49/663547149.db2.gz LVAXVGMENJGWOQ-UWVGGRQHSA-N 1 1 311.342 -2.675 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998678574 663548428 /nfs/dbraw/zinc/54/84/28/663548428.db2.gz KFZIGUUBNZGMAF-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998677432 663548568 /nfs/dbraw/zinc/54/85/68/663548568.db2.gz FLCOOZRIZHTYEI-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000998713773 663549908 /nfs/dbraw/zinc/54/99/08/663549908.db2.gz VDLCFAMBNGXTCW-UHFFFAOYSA-N 1 1 314.305 -1.307 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998716194 663550629 /nfs/dbraw/zinc/55/06/29/663550629.db2.gz YDQCXFJBXLESHT-GFCCVEGCSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000998721350 663550735 /nfs/dbraw/zinc/55/07/35/663550735.db2.gz AOXGMLGDEUTVER-UHFFFAOYSA-N 1 1 305.338 -1.426 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998716223 663550776 /nfs/dbraw/zinc/55/07/76/663550776.db2.gz YVNPWZYSZSZISQ-SNVBAGLBSA-N 1 1 308.342 -2.374 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000998766035 663551807 /nfs/dbraw/zinc/55/18/07/663551807.db2.gz SIINOSHVJJXZQO-VIFPVBQESA-N 1 1 317.357 -1.023 20 0 DAADMO C[C@H]([NH2+]C1CC(N(C)C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000998774005 663552012 /nfs/dbraw/zinc/55/20/12/663552012.db2.gz VSPPHCCILVBCJI-IDKOKCKLSA-N 1 1 320.361 -1.463 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998742169 663552136 /nfs/dbraw/zinc/55/21/36/663552136.db2.gz QACALPJKPBDTJY-VHSXEESVSA-N 1 1 307.358 -1.431 20 0 DAADMO CN(C(=O)Cn1nccn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998834170 663552637 /nfs/dbraw/zinc/55/26/37/663552637.db2.gz AUSZIHKMJGRCOG-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000998813670 663552782 /nfs/dbraw/zinc/55/27/82/663552782.db2.gz XGUVFODTTKDBCA-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C(=O)C[C@H]1CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998894559 663553045 /nfs/dbraw/zinc/55/30/45/663553045.db2.gz PVEFOMQQHUHHCD-KPPDAEKUSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000998917852 663553465 /nfs/dbraw/zinc/55/34/65/663553465.db2.gz UITLCUKUDDHJHJ-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998953102 663553502 /nfs/dbraw/zinc/55/35/02/663553502.db2.gz AIDPENYPYFXXSM-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998976817 663554292 /nfs/dbraw/zinc/55/42/92/663554292.db2.gz RSVGEGCPCUGLDN-SNVBAGLBSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999059060 663555192 /nfs/dbraw/zinc/55/51/92/663555192.db2.gz PCFPMOVYWDJOAD-IUCAKERBSA-N 1 1 309.330 -1.601 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999144381 663556578 /nfs/dbraw/zinc/55/65/78/663556578.db2.gz HZJNQZFXZQNIIQ-NHYWBVRUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999144381 663556579 /nfs/dbraw/zinc/55/65/79/663556579.db2.gz HZJNQZFXZQNIIQ-NHYWBVRUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)C1 ZINC000999184167 663557403 /nfs/dbraw/zinc/55/74/03/663557403.db2.gz KHEWBHHOCPEXOV-JTQLQIEISA-N 1 1 311.317 -1.180 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3n[nH]cc3F)C2)C1 ZINC000999184167 663557404 /nfs/dbraw/zinc/55/74/04/663557404.db2.gz KHEWBHHOCPEXOV-JTQLQIEISA-N 1 1 311.317 -1.180 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)c(=O)n(C)c1=O ZINC001032660313 663557662 /nfs/dbraw/zinc/55/76/62/663557662.db2.gz BJLHCFPSGSULAS-UWVGGRQHSA-N 1 1 308.338 -2.025 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)c(=O)n(C)c1=O ZINC001032660313 663557666 /nfs/dbraw/zinc/55/76/66/663557666.db2.gz BJLHCFPSGSULAS-UWVGGRQHSA-N 1 1 308.338 -2.025 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001032686576 663558157 /nfs/dbraw/zinc/55/81/57/663558157.db2.gz ZNCUNUPHSUDKBS-SRVKXCTJSA-N 1 1 322.365 -1.407 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O ZINC001032686804 663558388 /nfs/dbraw/zinc/55/83/88/663558388.db2.gz KCWZCQSNZCJMSK-DCAQKATOSA-N 1 1 310.354 -1.142 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001032686368 663558513 /nfs/dbraw/zinc/55/85/13/663558513.db2.gz RBMZKFVNHMCEEK-RYUDHWBXSA-N 1 1 322.365 -1.142 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684467 663558651 /nfs/dbraw/zinc/55/86/51/663558651.db2.gz QUTJUDGOAKESIL-AVGNSLFASA-N 1 1 310.398 -1.132 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032687132 663558857 /nfs/dbraw/zinc/55/88/57/663558857.db2.gz UTLHYWNZBFDHNH-WOPDTQHZSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032698076 663558952 /nfs/dbraw/zinc/55/89/52/663558952.db2.gz DQNBVUMXXIIYRN-DCAQKATOSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032698076 663558954 /nfs/dbraw/zinc/55/89/54/663558954.db2.gz DQNBVUMXXIIYRN-DCAQKATOSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032698152 663559046 /nfs/dbraw/zinc/55/90/46/663559046.db2.gz IYRMGMIXODHNDW-SDDRHHMPSA-N 1 1 319.369 -1.373 20 0 DAADMO CN(C(=O)[C@]1(C)CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999395738 663560761 /nfs/dbraw/zinc/56/07/61/663560761.db2.gz XLFCQHXZDJAIRU-RPFQZYLTSA-N 1 1 321.385 -1.185 20 0 DAADMO CN(C(=O)C[C@H]1CCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999543732 663561350 /nfs/dbraw/zinc/56/13/50/663561350.db2.gz GQINCAIEUGMCCV-KPPDAEKUSA-N 1 1 321.385 -1.042 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000999424975 663561691 /nfs/dbraw/zinc/56/16/91/663561691.db2.gz SCSPDFRRDJUELX-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000999450070 663561741 /nfs/dbraw/zinc/56/17/41/663561741.db2.gz OSHBFCOMJWGMAQ-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC000999543478 663561828 /nfs/dbraw/zinc/56/18/28/663561828.db2.gz XBJMCUSHGLPBSS-JTQLQIEISA-N 1 1 321.341 -1.254 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000999450063 663561830 /nfs/dbraw/zinc/56/18/30/663561830.db2.gz OSHBFCOMJWGMAQ-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O ZINC001032718724 663562517 /nfs/dbraw/zinc/56/25/17/663562517.db2.gz KCCIXSXOIKPCAQ-DCAQKATOSA-N 1 1 310.354 -1.406 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999792890 663564606 /nfs/dbraw/zinc/56/46/06/663564606.db2.gz NXZIWNYBNUSODA-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999805630 663565902 /nfs/dbraw/zinc/56/59/02/663565902.db2.gz STQGKGWLYFWBQR-BMIGLBTASA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999805634 663566095 /nfs/dbraw/zinc/56/60/95/663566095.db2.gz STQGKGWLYFWBQR-MEBBXXQBSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999846897 663567006 /nfs/dbraw/zinc/56/70/06/663567006.db2.gz HJOUKCKLVMDVMM-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000999788891 663567032 /nfs/dbraw/zinc/56/70/32/663567032.db2.gz GXUVYIRMJQARBR-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999846883 663567146 /nfs/dbraw/zinc/56/71/46/663567146.db2.gz HJOUKCKLVMDVMM-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000999889505 663567533 /nfs/dbraw/zinc/56/75/33/663567533.db2.gz WGEQXTRAYYSGKM-GXSJLCMTSA-N 1 1 319.365 -1.092 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC000999889712 663567580 /nfs/dbraw/zinc/56/75/80/663567580.db2.gz JXIDHBORMYXSDA-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000999887120 663567620 /nfs/dbraw/zinc/56/76/20/663567620.db2.gz DUOXYBRYJGFBBI-TZMCWYRMSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999887864 663567706 /nfs/dbraw/zinc/56/77/06/663567706.db2.gz TWPQVSRLTXCYCL-GXSJLCMTSA-N 1 1 307.358 -1.802 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC000999889713 663567862 /nfs/dbraw/zinc/56/78/62/663567862.db2.gz JXIDHBORMYXSDA-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000999865050 663568106 /nfs/dbraw/zinc/56/81/06/663568106.db2.gz RUPGYWJDCMPATN-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000999865077 663568290 /nfs/dbraw/zinc/56/82/90/663568290.db2.gz SDNZAIJSOCABCE-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000999866017 663568463 /nfs/dbraw/zinc/56/84/63/663568463.db2.gz WJYFOSXDIJUHTP-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000999876352 663568600 /nfs/dbraw/zinc/56/86/00/663568600.db2.gz HENKYRNFJHGOMO-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000999869927 663568614 /nfs/dbraw/zinc/56/86/14/663568614.db2.gz JMRKYRGNBPUOMG-KOLCDFICSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999878283 663568943 /nfs/dbraw/zinc/56/89/43/663568943.db2.gz BSNNBGYXIAGCIZ-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000999878103 663569025 /nfs/dbraw/zinc/56/90/25/663569025.db2.gz PWUGGBAREIFWKV-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999907271 663569361 /nfs/dbraw/zinc/56/93/61/663569361.db2.gz XRLNGYWQISVLHF-PSASIEDQSA-N 1 1 307.358 -1.652 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CCc2cnc[nH]2)C1 ZINC000999921320 663569701 /nfs/dbraw/zinc/56/97/01/663569701.db2.gz XIKLXARZOPIOON-MNOVXSKESA-N 1 1 305.338 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)O1 ZINC000999920286 663569753 /nfs/dbraw/zinc/56/97/53/663569753.db2.gz QIIUCOFCOKCJCP-KXGXSXBTSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)O1 ZINC000999920286 663569756 /nfs/dbraw/zinc/56/97/56/663569756.db2.gz QIIUCOFCOKCJCP-KXGXSXBTSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999922728 663570246 /nfs/dbraw/zinc/57/02/46/663570246.db2.gz QAIPYMCBCKKDES-BDAKNGLRSA-N 1 1 320.361 -1.311 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999936200 663570704 /nfs/dbraw/zinc/57/07/04/663570704.db2.gz CMWCDUVAKLXUBH-MNOVXSKESA-N 1 1 305.338 -1.360 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999930534 663570756 /nfs/dbraw/zinc/57/07/56/663570756.db2.gz JJYKYPFNPMFHDN-MNOVXSKESA-N 1 1 305.338 -1.360 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999930005 663570972 /nfs/dbraw/zinc/57/09/72/663570972.db2.gz DJCIAWRXFVMQRZ-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CCC(=O)N1 ZINC000999964193 663571386 /nfs/dbraw/zinc/57/13/86/663571386.db2.gz VXOUOXZCOJEWDP-VXGBXAGGSA-N 1 1 322.369 -1.588 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993422 663572145 /nfs/dbraw/zinc/57/21/45/663572145.db2.gz UFJDQQAHJHBZST-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncc[nH]3)nn2)C1 ZINC000999993422 663572150 /nfs/dbraw/zinc/57/21/50/663572150.db2.gz UFJDQQAHJHBZST-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001000058016 663573225 /nfs/dbraw/zinc/57/32/25/663573225.db2.gz PGSYFUBGSINWIE-SECBINFHSA-N 1 1 308.342 -1.626 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001000046967 663573290 /nfs/dbraw/zinc/57/32/90/663573290.db2.gz GXHMDTCLJKOMMX-GXSJLCMTSA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000035784 663573845 /nfs/dbraw/zinc/57/38/45/663573845.db2.gz MQAYQIKEXYPKTO-SECBINFHSA-N 1 1 320.313 -1.677 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000035784 663573853 /nfs/dbraw/zinc/57/38/53/663573853.db2.gz MQAYQIKEXYPKTO-SECBINFHSA-N 1 1 320.313 -1.677 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000026700 663573901 /nfs/dbraw/zinc/57/39/01/663573901.db2.gz BPNPLUKHARIBDB-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026700 663573905 /nfs/dbraw/zinc/57/39/05/663573905.db2.gz BPNPLUKHARIBDB-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026700 663573908 /nfs/dbraw/zinc/57/39/08/663573908.db2.gz BPNPLUKHARIBDB-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026700 663573910 /nfs/dbraw/zinc/57/39/10/663573910.db2.gz BPNPLUKHARIBDB-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026700 663573912 /nfs/dbraw/zinc/57/39/12/663573912.db2.gz BPNPLUKHARIBDB-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)c1cnon1 ZINC001000029359 663574250 /nfs/dbraw/zinc/57/42/50/663574250.db2.gz MKVAYLAPUXJAGY-JTQLQIEISA-N 1 1 307.314 -1.170 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000026695 663574337 /nfs/dbraw/zinc/57/43/37/663574337.db2.gz BPNPLUKHARIBDB-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026695 663574342 /nfs/dbraw/zinc/57/43/42/663574342.db2.gz BPNPLUKHARIBDB-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026695 663574344 /nfs/dbraw/zinc/57/43/44/663574344.db2.gz BPNPLUKHARIBDB-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026695 663574348 /nfs/dbraw/zinc/57/43/48/663574348.db2.gz BPNPLUKHARIBDB-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026695 663574355 /nfs/dbraw/zinc/57/43/55/663574355.db2.gz BPNPLUKHARIBDB-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000041671 663574362 /nfs/dbraw/zinc/57/43/62/663574362.db2.gz BKIMVBFECYXNSW-UWVGGRQHSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CCC(=O)N1 ZINC001000036945 663574380 /nfs/dbraw/zinc/57/43/80/663574380.db2.gz VXOUOXZCOJEWDP-NEPJUHHUSA-N 1 1 322.369 -1.588 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000026691 663574559 /nfs/dbraw/zinc/57/45/59/663574559.db2.gz BPNPLUKHARIBDB-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026691 663574561 /nfs/dbraw/zinc/57/45/61/663574561.db2.gz BPNPLUKHARIBDB-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026691 663574562 /nfs/dbraw/zinc/57/45/62/663574562.db2.gz BPNPLUKHARIBDB-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026691 663574564 /nfs/dbraw/zinc/57/45/64/663574564.db2.gz BPNPLUKHARIBDB-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026691 663574566 /nfs/dbraw/zinc/57/45/66/663574566.db2.gz BPNPLUKHARIBDB-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001000042167 663574590 /nfs/dbraw/zinc/57/45/90/663574590.db2.gz CKABYIBEUVUUNX-GXSJLCMTSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001000025602 663574643 /nfs/dbraw/zinc/57/46/43/663574643.db2.gz KPRYYAGVJKCWII-SECBINFHSA-N 1 1 318.341 -1.312 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000061662 663575120 /nfs/dbraw/zinc/57/51/20/663575120.db2.gz IECOMQFBXYHYTB-SECBINFHSA-N 1 1 307.358 -1.444 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032724179 663575645 /nfs/dbraw/zinc/57/56/45/663575645.db2.gz KHGXDZWDCFCRHI-LPEHRKFASA-N 1 1 318.337 -1.563 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032724179 663575649 /nfs/dbraw/zinc/57/56/49/663575649.db2.gz KHGXDZWDCFCRHI-LPEHRKFASA-N 1 1 318.337 -1.563 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1=O ZINC001032729323 663576384 /nfs/dbraw/zinc/57/63/84/663576384.db2.gz ZBLJJBGEKAADBU-QWRGUYRKSA-N 1 1 310.354 -1.452 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001032731050 663576832 /nfs/dbraw/zinc/57/68/32/663576832.db2.gz XZUBCXAEYFRFJU-UTLUCORTSA-N 1 1 318.337 -1.303 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000125353 663577081 /nfs/dbraw/zinc/57/70/81/663577081.db2.gz WTMDCZRDACKJNT-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO O=C(Cc1nc[nH]n1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000186792 663580098 /nfs/dbraw/zinc/58/00/98/663580098.db2.gz HQFXCOGOVRGBEZ-UHFFFAOYSA-N 1 1 322.369 -1.604 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000198709 663581309 /nfs/dbraw/zinc/58/13/09/663581309.db2.gz HKLCFEDRTAESKC-BBBLOLIVSA-N 1 1 307.358 -1.588 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032760658 663582860 /nfs/dbraw/zinc/58/28/60/663582860.db2.gz NJXPWCGAQFVVIV-IHRRRGAJSA-N 1 1 311.382 -1.099 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189929 663584796 /nfs/dbraw/zinc/58/47/96/663584796.db2.gz IUBHSCNGORBJID-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189929 663584798 /nfs/dbraw/zinc/58/47/98/663584798.db2.gz IUBHSCNGORBJID-KOLCDFICSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032785130 663585625 /nfs/dbraw/zinc/58/56/25/663585625.db2.gz XUCOMIZYIAUKTM-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001000455634 663586660 /nfs/dbraw/zinc/58/66/60/663586660.db2.gz IDCDQVQROXKPHX-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016207630 663586708 /nfs/dbraw/zinc/58/67/08/663586708.db2.gz GBLVCMXMDDPMTE-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016207630 663586712 /nfs/dbraw/zinc/58/67/12/663586712.db2.gz GBLVCMXMDDPMTE-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000482640 663587557 /nfs/dbraw/zinc/58/75/57/663587557.db2.gz RVUNSHURAMUIBF-VIFPVBQESA-N 1 1 322.325 -1.298 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000535128 663587904 /nfs/dbraw/zinc/58/79/04/663587904.db2.gz CONIMXIOVIVJPA-JTQLQIEISA-N 1 1 320.361 -1.633 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540043 663588353 /nfs/dbraw/zinc/58/83/53/663588353.db2.gz WHKNAOZNCHZSLQ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001000540108 663588516 /nfs/dbraw/zinc/58/85/16/663588516.db2.gz WZONNJUWDHXNMG-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589764 /nfs/dbraw/zinc/58/97/64/663589764.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550169 663589765 /nfs/dbraw/zinc/58/97/65/663589765.db2.gz IKHFIXHHCYIFQS-UONOGXRCSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001000594519 663589772 /nfs/dbraw/zinc/58/97/72/663589772.db2.gz QWVKWCHLAWRVRV-KGLIPLIRSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001000594519 663589773 /nfs/dbraw/zinc/58/97/73/663589773.db2.gz QWVKWCHLAWRVRV-KGLIPLIRSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217218 663590430 /nfs/dbraw/zinc/59/04/30/663590430.db2.gz RVJOCTULOXLVKW-ONGXEEELSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217218 663590442 /nfs/dbraw/zinc/59/04/42/663590442.db2.gz RVJOCTULOXLVKW-ONGXEEELSA-N 1 1 311.386 -1.159 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000640555 663590856 /nfs/dbraw/zinc/59/08/56/663590856.db2.gz QYIHNZNPYKFEJR-LLVKDONJSA-N 1 1 310.354 -1.069 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000640555 663590863 /nfs/dbraw/zinc/59/08/63/663590863.db2.gz QYIHNZNPYKFEJR-LLVKDONJSA-N 1 1 310.354 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001001008638 663592733 /nfs/dbraw/zinc/59/27/33/663592733.db2.gz ZLYWNEJUTRXLEL-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001001008638 663592735 /nfs/dbraw/zinc/59/27/35/663592735.db2.gz ZLYWNEJUTRXLEL-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001001041189 663593323 /nfs/dbraw/zinc/59/33/23/663593323.db2.gz SWOGLAMGSUFSKY-NEPJUHHUSA-N 1 1 306.366 -1.241 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001001041189 663593329 /nfs/dbraw/zinc/59/33/29/663593329.db2.gz SWOGLAMGSUFSKY-NEPJUHHUSA-N 1 1 306.366 -1.241 20 0 DAADMO CN1C[C@@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001001044074 663593561 /nfs/dbraw/zinc/59/35/61/663593561.db2.gz NVXAOMMZRYKKLU-RYUDHWBXSA-N 1 1 321.381 -1.353 20 0 DAADMO CN1C[C@@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001001044074 663593562 /nfs/dbraw/zinc/59/35/62/663593562.db2.gz NVXAOMMZRYKKLU-RYUDHWBXSA-N 1 1 321.381 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001001024038 663593567 /nfs/dbraw/zinc/59/35/67/663593567.db2.gz URFYOVFLZMZTML-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001001024038 663593569 /nfs/dbraw/zinc/59/35/69/663593569.db2.gz URFYOVFLZMZTML-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+](CC(=O)N3CCC3)CC2)n1 ZINC001001057584 663594180 /nfs/dbraw/zinc/59/41/80/663594180.db2.gz KVDYDLOUOMBYJY-UHFFFAOYSA-N 1 1 319.369 -1.196 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)n1 ZINC001001057584 663594183 /nfs/dbraw/zinc/59/41/83/663594183.db2.gz KVDYDLOUOMBYJY-UHFFFAOYSA-N 1 1 319.369 -1.196 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001035258 663594570 /nfs/dbraw/zinc/59/45/70/663594570.db2.gz FWWDNTGJBQKBSF-ZYHUDNBSSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001035258 663594573 /nfs/dbraw/zinc/59/45/73/663594573.db2.gz FWWDNTGJBQKBSF-ZYHUDNBSSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001001034585 663594579 /nfs/dbraw/zinc/59/45/79/663594579.db2.gz DAKLMIHAWRRQRA-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001001034585 663594581 /nfs/dbraw/zinc/59/45/81/663594581.db2.gz DAKLMIHAWRRQRA-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC001001107990 663595382 /nfs/dbraw/zinc/59/53/82/663595382.db2.gz XTZPKSFHZUODAY-NEPJUHHUSA-N 1 1 321.381 -1.353 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001104708 663595473 /nfs/dbraw/zinc/59/54/73/663595473.db2.gz IKFQGZTWHNJHIG-QWRGUYRKSA-N 1 1 309.370 -1.320 20 0 DAADMO O=C(C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001001115056 663595898 /nfs/dbraw/zinc/59/58/98/663595898.db2.gz QDICRCCBVAOAFQ-GFCCVEGCSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001001115056 663595900 /nfs/dbraw/zinc/59/59/00/663595900.db2.gz QDICRCCBVAOAFQ-GFCCVEGCSA-N 1 1 321.381 -1.305 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001001109859 663595936 /nfs/dbraw/zinc/59/59/36/663595936.db2.gz AVZLBVWKHXVMLQ-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001001109859 663595939 /nfs/dbraw/zinc/59/59/39/663595939.db2.gz AVZLBVWKHXVMLQ-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001108100 663596267 /nfs/dbraw/zinc/59/62/67/663596267.db2.gz ZJPICJKBQHTWMT-CMPLNLGQSA-N 1 1 323.397 -1.107 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114368 663596287 /nfs/dbraw/zinc/59/62/87/663596287.db2.gz IJPINUYNDLOLFP-NEPJUHHUSA-N 1 1 321.381 -1.305 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141677 663596891 /nfs/dbraw/zinc/59/68/91/663596891.db2.gz LESUDYATSAHLER-WDEREUQCSA-N 1 1 310.354 -1.747 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141677 663596895 /nfs/dbraw/zinc/59/68/95/663596895.db2.gz LESUDYATSAHLER-WDEREUQCSA-N 1 1 310.354 -1.747 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001001219311 663597075 /nfs/dbraw/zinc/59/70/75/663597075.db2.gz RACNNUNREPTKDY-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cc(C(=O)NCC2=CC[N@@H+](CCO)CC2)c(=O)n(C)c1=O ZINC001001220027 663597142 /nfs/dbraw/zinc/59/71/42/663597142.db2.gz WQCLNZUBEDMHEC-UHFFFAOYSA-N 1 1 322.365 -1.562 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001001223315 663597213 /nfs/dbraw/zinc/59/72/13/663597213.db2.gz SFJRLIDZZGAPHU-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001001219307 663597432 /nfs/dbraw/zinc/59/74/32/663597432.db2.gz RACNNUNREPTKDY-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001001223835 663597466 /nfs/dbraw/zinc/59/74/66/663597466.db2.gz WIOCVFLQMMALRS-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC001001218041 663597475 /nfs/dbraw/zinc/59/74/75/663597475.db2.gz JDPSGWAHIFLPOX-NEPJUHHUSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001215641 663597497 /nfs/dbraw/zinc/59/74/97/663597497.db2.gz LOQSZGJSLUUWIY-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001001202391 663597613 /nfs/dbraw/zinc/59/76/13/663597613.db2.gz CCCRRWJTWPNNLZ-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001001202392 663597838 /nfs/dbraw/zinc/59/78/38/663597838.db2.gz CCCRRWJTWPNNLZ-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cncn2)C1 ZINC001001224783 663598186 /nfs/dbraw/zinc/59/81/86/663598186.db2.gz CUJKMMQZUSPIOZ-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001001227631 663598189 /nfs/dbraw/zinc/59/81/89/663598189.db2.gz RKZLLRWTXYHYQU-GRYCIOLGSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001203264 663598246 /nfs/dbraw/zinc/59/82/46/663598246.db2.gz IUVLEIDCVCTZCF-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001203264 663598252 /nfs/dbraw/zinc/59/82/52/663598252.db2.gz IUVLEIDCVCTZCF-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CN2CCOCC2)C1 ZINC001001207657 663598388 /nfs/dbraw/zinc/59/83/88/663598388.db2.gz NIAWNRYQEDOXER-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001001206132 663598406 /nfs/dbraw/zinc/59/84/06/663598406.db2.gz CYCPMPYORXUXRP-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001256761 663598602 /nfs/dbraw/zinc/59/86/02/663598602.db2.gz KLNQOMGJHPIKRA-VIFPVBQESA-N 1 1 322.365 -1.339 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001256761 663598605 /nfs/dbraw/zinc/59/86/05/663598605.db2.gz KLNQOMGJHPIKRA-VIFPVBQESA-N 1 1 322.365 -1.339 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001262841 663599004 /nfs/dbraw/zinc/59/90/04/663599004.db2.gz FHFJSCPPZLUZFP-UHFFFAOYSA-N 1 1 322.365 -1.467 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001262841 663599006 /nfs/dbraw/zinc/59/90/06/663599006.db2.gz FHFJSCPPZLUZFP-UHFFFAOYSA-N 1 1 322.365 -1.467 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001001295904 663599377 /nfs/dbraw/zinc/59/93/77/663599377.db2.gz JLEHGJLTWXUESK-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001001295904 663599379 /nfs/dbraw/zinc/59/93/79/663599379.db2.gz JLEHGJLTWXUESK-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001301539 663599582 /nfs/dbraw/zinc/59/95/82/663599582.db2.gz GGCCJUREHWTCAV-GFCCVEGCSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001301539 663599588 /nfs/dbraw/zinc/59/95/88/663599588.db2.gz GGCCJUREHWTCAV-GFCCVEGCSA-N 1 1 322.369 -1.817 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001001295415 663599649 /nfs/dbraw/zinc/59/96/49/663599649.db2.gz FKXULNQRFIPRJH-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001001295415 663599655 /nfs/dbraw/zinc/59/96/55/663599655.db2.gz FKXULNQRFIPRJH-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001301574 663599747 /nfs/dbraw/zinc/59/97/47/663599747.db2.gz GTJAWKNFJQLZOL-GFCCVEGCSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001301574 663599749 /nfs/dbraw/zinc/59/97/49/663599749.db2.gz GTJAWKNFJQLZOL-GFCCVEGCSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001001296626 663599774 /nfs/dbraw/zinc/59/97/74/663599774.db2.gz NTBWQNAPENYLCN-NSHDSACASA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001001296626 663599777 /nfs/dbraw/zinc/59/97/77/663599777.db2.gz NTBWQNAPENYLCN-NSHDSACASA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001001297473 663599862 /nfs/dbraw/zinc/59/98/62/663599862.db2.gz SIXVDDCZWMKESL-NSHDSACASA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001001297473 663599865 /nfs/dbraw/zinc/59/98/65/663599865.db2.gz SIXVDDCZWMKESL-NSHDSACASA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001001297340 663599871 /nfs/dbraw/zinc/59/98/71/663599871.db2.gz QUDTVSWILUMKCZ-LBPRGKRZSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001001297340 663599872 /nfs/dbraw/zinc/59/98/72/663599872.db2.gz QUDTVSWILUMKCZ-LBPRGKRZSA-N 1 1 321.381 -1.143 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001001297868 663600130 /nfs/dbraw/zinc/60/01/30/663600130.db2.gz URJPZGFVOKJBLH-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001001294998 663600197 /nfs/dbraw/zinc/60/01/97/663600197.db2.gz DAKXHQISLMNVBA-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001001294998 663600200 /nfs/dbraw/zinc/60/02/00/663600200.db2.gz DAKXHQISLMNVBA-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO Cn1cncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001313289 663600626 /nfs/dbraw/zinc/60/06/26/663600626.db2.gz WEYCLMRYCQTBBO-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cncc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001313289 663600633 /nfs/dbraw/zinc/60/06/33/663600633.db2.gz WEYCLMRYCQTBBO-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001001456071 663601502 /nfs/dbraw/zinc/60/15/02/663601502.db2.gz JYXKPYSICBKXRR-GFCCVEGCSA-N 1 1 317.411 -1.191 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001001418498 663601807 /nfs/dbraw/zinc/60/18/07/663601807.db2.gz MDQWWUUWDNDNRC-CYBMUJFWSA-N 1 1 324.381 -1.533 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001001418498 663601808 /nfs/dbraw/zinc/60/18/08/663601808.db2.gz MDQWWUUWDNDNRC-CYBMUJFWSA-N 1 1 324.381 -1.533 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001001432804 663601848 /nfs/dbraw/zinc/60/18/48/663601848.db2.gz JKMSRDXHRWCGTC-UHFFFAOYSA-N 1 1 318.337 -1.577 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001001432804 663601850 /nfs/dbraw/zinc/60/18/50/663601850.db2.gz JKMSRDXHRWCGTC-UHFFFAOYSA-N 1 1 318.337 -1.577 20 0 DAADMO O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032814955 663602140 /nfs/dbraw/zinc/60/21/40/663602140.db2.gz RKUYHPFLQFTBHF-SDDRHHMPSA-N 1 1 317.349 -1.027 20 0 DAADMO O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032814955 663602143 /nfs/dbraw/zinc/60/21/43/663602143.db2.gz RKUYHPFLQFTBHF-SDDRHHMPSA-N 1 1 317.349 -1.027 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001459531 663602335 /nfs/dbraw/zinc/60/23/35/663602335.db2.gz SQVMZGFVPHAKQX-CQSZACIVSA-N 1 1 311.382 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001487025 663602844 /nfs/dbraw/zinc/60/28/44/663602844.db2.gz VUTBBPQNMDZQJH-UHFFFAOYSA-N 1 1 321.381 -1.168 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001487025 663602845 /nfs/dbraw/zinc/60/28/45/663602845.db2.gz VUTBBPQNMDZQJH-UHFFFAOYSA-N 1 1 321.381 -1.168 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001001668734 663604897 /nfs/dbraw/zinc/60/48/97/663604897.db2.gz HWBQHSDEMBXQDF-QWRGUYRKSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001001723770 663606926 /nfs/dbraw/zinc/60/69/26/663606926.db2.gz MIZJUFXFFUIFOQ-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001001788256 663610541 /nfs/dbraw/zinc/61/05/41/663610541.db2.gz GELFHHIEFMHVMP-LBPRGKRZSA-N 1 1 321.385 -1.175 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001977296 663611573 /nfs/dbraw/zinc/61/15/73/663611573.db2.gz MGVICGBEVGHNTO-KGLIPLIRSA-N 1 1 324.425 -1.157 20 0 DAADMO Cn1cc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001001974217 663611773 /nfs/dbraw/zinc/61/17/73/663611773.db2.gz AILAYOOFRXJUNV-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001001906759 663611988 /nfs/dbraw/zinc/61/19/88/663611988.db2.gz GKRKWBPJGJWDPP-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001979784 663612105 /nfs/dbraw/zinc/61/21/05/663612105.db2.gz UYFZJBFEOASNNP-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001998850 663612140 /nfs/dbraw/zinc/61/21/40/663612140.db2.gz OTCYDHWMYLEUBZ-LLVKDONJSA-N 1 1 308.382 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001999250 663612155 /nfs/dbraw/zinc/61/21/55/663612155.db2.gz PYBPZFHMSVLJJG-NSHDSACASA-N 1 1 306.370 -1.127 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001001999250 663612160 /nfs/dbraw/zinc/61/21/60/663612160.db2.gz PYBPZFHMSVLJJG-NSHDSACASA-N 1 1 306.370 -1.127 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001001999250 663612162 /nfs/dbraw/zinc/61/21/62/663612162.db2.gz PYBPZFHMSVLJJG-NSHDSACASA-N 1 1 306.370 -1.127 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001993715 663612175 /nfs/dbraw/zinc/61/21/75/663612175.db2.gz IIRLWVPEAMFCRZ-LLVKDONJSA-N 1 1 307.358 -1.801 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC001001980676 663612283 /nfs/dbraw/zinc/61/22/83/663612283.db2.gz YQYKBXZXLZKSIV-CQSZACIVSA-N 1 1 324.425 -1.155 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001998988 663612325 /nfs/dbraw/zinc/61/23/25/663612325.db2.gz JHELUNUMJXFRFW-NEPJUHHUSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001001993737 663612332 /nfs/dbraw/zinc/61/23/32/663612332.db2.gz IRSKORMDYJFFOD-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001979782 663612374 /nfs/dbraw/zinc/61/23/74/663612374.db2.gz UYFZJBFEOASNNP-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001998851 663612390 /nfs/dbraw/zinc/61/23/90/663612390.db2.gz OTCYDHWMYLEUBZ-NSHDSACASA-N 1 1 308.382 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001001993717 663612462 /nfs/dbraw/zinc/61/24/62/663612462.db2.gz IIRLWVPEAMFCRZ-NSHDSACASA-N 1 1 307.358 -1.801 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001001980642 663612493 /nfs/dbraw/zinc/61/24/93/663612493.db2.gz YBNBNFZPAGEMLQ-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001001980645 663612507 /nfs/dbraw/zinc/61/25/07/663612507.db2.gz YBNBNFZPAGEMLQ-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001002304552 663614063 /nfs/dbraw/zinc/61/40/63/663614063.db2.gz YSLYPWQWRVSSJM-UHFFFAOYSA-N 1 1 305.346 -1.418 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001002393925 663614326 /nfs/dbraw/zinc/61/43/26/663614326.db2.gz JYGCFOWWZLJFOY-XEZPLFJOSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001002393925 663614327 /nfs/dbraw/zinc/61/43/27/663614327.db2.gz JYGCFOWWZLJFOY-XEZPLFJOSA-N 1 1 323.393 -1.072 20 0 DAADMO O=S(=O)(NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1COC[C@H]1O ZINC000921912435 663614586 /nfs/dbraw/zinc/61/45/86/663614586.db2.gz RTIPRHVXSVPILT-JHJVBQTASA-N 1 1 320.411 -1.081 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001002411208 663614647 /nfs/dbraw/zinc/61/46/47/663614647.db2.gz ZIKSLPSUMVRMGY-MNOVXSKESA-N 1 1 310.354 -2.091 20 0 DAADMO O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@H]1COC[C@H]1O ZINC000921912452 663614698 /nfs/dbraw/zinc/61/46/98/663614698.db2.gz RTIPRHVXSVPILT-YNEHKIRRSA-N 1 1 320.411 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307028 663614723 /nfs/dbraw/zinc/61/47/23/663614723.db2.gz RRBDGYDIKKJFSH-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307028 663614725 /nfs/dbraw/zinc/61/47/25/663614725.db2.gz RRBDGYDIKKJFSH-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002455867 663614732 /nfs/dbraw/zinc/61/47/32/663614732.db2.gz IBHKBGSKODAIAE-CHWSQXEVSA-N 1 1 322.409 -1.009 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001002523409 663616103 /nfs/dbraw/zinc/61/61/03/663616103.db2.gz NMNZGHPZMBNCMA-STQMWFEESA-N 1 1 310.398 -1.214 20 0 DAADMO Cn1nnc(CN2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001002524229 663616152 /nfs/dbraw/zinc/61/61/52/663616152.db2.gz REYOQIHXDPRVNI-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001002524229 663616156 /nfs/dbraw/zinc/61/61/56/663616156.db2.gz REYOQIHXDPRVNI-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001002649236 663617436 /nfs/dbraw/zinc/61/74/36/663617436.db2.gz TZBRSSZFOQPOAU-UHFFFAOYSA-N 1 1 320.357 -1.107 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001002685386 663617749 /nfs/dbraw/zinc/61/77/49/663617749.db2.gz LJRJHWRKZMIOQP-ZDUSSCGKSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032826998 663618058 /nfs/dbraw/zinc/61/80/58/663618058.db2.gz BOMNKRNIDGQELP-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032826998 663618063 /nfs/dbraw/zinc/61/80/63/663618063.db2.gz BOMNKRNIDGQELP-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001032827759 663619190 /nfs/dbraw/zinc/61/91/90/663619190.db2.gz HCUQNYUWTUIYHO-NHCYSSNCSA-N 1 1 307.354 -1.063 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831573 663619708 /nfs/dbraw/zinc/61/97/08/663619708.db2.gz BHJATJDCFHNOJN-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831573 663619710 /nfs/dbraw/zinc/61/97/10/663619710.db2.gz BHJATJDCFHNOJN-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001016342108 663619752 /nfs/dbraw/zinc/61/97/52/663619752.db2.gz ZWUMMVUAHVHUEH-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831535 663619933 /nfs/dbraw/zinc/61/99/33/663619933.db2.gz WYNFTLFUISRUFG-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831535 663619936 /nfs/dbraw/zinc/61/99/36/663619936.db2.gz WYNFTLFUISRUFG-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032830116 663619965 /nfs/dbraw/zinc/61/99/65/663619965.db2.gz WOVYXCZRNXTRNQ-AXFHLTTASA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032830116 663619966 /nfs/dbraw/zinc/61/99/66/663619966.db2.gz WOVYXCZRNXTRNQ-AXFHLTTASA-N 1 1 322.365 -1.397 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001002862653 663620046 /nfs/dbraw/zinc/62/00/46/663620046.db2.gz ORNGARKKEAXZSF-UHFFFAOYSA-N 1 1 309.330 -2.557 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1=O ZINC001002949846 663621407 /nfs/dbraw/zinc/62/14/07/663621407.db2.gz NWOZECNJMXYVJN-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352543 663621528 /nfs/dbraw/zinc/62/15/28/663621528.db2.gz BNOFTFVIHQKLNR-GHMZBOCLSA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352543 663621529 /nfs/dbraw/zinc/62/15/29/663621529.db2.gz BNOFTFVIHQKLNR-GHMZBOCLSA-N 1 1 321.381 -1.241 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CC1=O ZINC001002949839 663621790 /nfs/dbraw/zinc/62/17/90/663621790.db2.gz NWOZECNJMXYVJN-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922117060 663621992 /nfs/dbraw/zinc/62/19/92/663621992.db2.gz GOJNIOPBXYZKKL-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO C[C@@H]1CN(C)C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112903 663622027 /nfs/dbraw/zinc/62/20/27/663622027.db2.gz UNTWWTWORCJSIN-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)CCC1=O ZINC000922114936 663622109 /nfs/dbraw/zinc/62/21/09/663622109.db2.gz QFOFSCJILIYMNQ-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355031 663622118 /nfs/dbraw/zinc/62/21/18/663622118.db2.gz RYRJJAHCXWVUHO-VHSXEESVSA-N 1 1 307.354 -1.584 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355031 663622120 /nfs/dbraw/zinc/62/21/20/663622120.db2.gz RYRJJAHCXWVUHO-VHSXEESVSA-N 1 1 307.354 -1.584 20 0 DAADMO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+](C)CCOCCO ZINC000922110120 663622386 /nfs/dbraw/zinc/62/23/86/663622386.db2.gz WYXJZQKLVPLXDP-GXTWGEPZSA-N 1 1 303.403 -1.502 20 0 DAADMO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922110120 663622388 /nfs/dbraw/zinc/62/23/88/663622388.db2.gz WYXJZQKLVPLXDP-GXTWGEPZSA-N 1 1 303.403 -1.502 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922117061 663622409 /nfs/dbraw/zinc/62/24/09/663622409.db2.gz GOJNIOPBXYZKKL-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO CCN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)C1 ZINC000922119294 663622465 /nfs/dbraw/zinc/62/24/65/663622465.db2.gz NLSRLDVOQUQEQR-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO CN1N=C(C(=O)NCC[N@@H+](C)CCOCCO)CCC1=O ZINC000922126335 663622870 /nfs/dbraw/zinc/62/28/70/663622870.db2.gz RYQJLAMFWIINSJ-UHFFFAOYSA-N 1 1 300.359 -1.349 20 0 DAADMO CN1CCN(CC(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC001003205066 663625878 /nfs/dbraw/zinc/62/58/78/663625878.db2.gz XJOYDYHDXOAASH-UHFFFAOYSA-N 1 1 311.386 -2.174 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCC(=O)NC1 ZINC001003225214 663625910 /nfs/dbraw/zinc/62/59/10/663625910.db2.gz IOZSJOGPGONXMX-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1cnn(CC(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)c1=O ZINC001003209734 663626029 /nfs/dbraw/zinc/62/60/29/663626029.db2.gz YQGTYNJJHKLFAR-NSHDSACASA-N 1 1 322.369 -1.949 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001003206916 663626034 /nfs/dbraw/zinc/62/60/34/663626034.db2.gz VSCNVGYQLIUMOV-UHFFFAOYSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCCNC2=O)CC1 ZINC001003238570 663626388 /nfs/dbraw/zinc/62/63/88/663626388.db2.gz PMDYZNKTHTWYNG-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837104 663627010 /nfs/dbraw/zinc/62/70/10/663627010.db2.gz WSWSRSBLROQLAR-KXUCPTDWSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837104 663627012 /nfs/dbraw/zinc/62/70/12/663627012.db2.gz WSWSRSBLROQLAR-KXUCPTDWSA-N 1 1 323.353 -1.994 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003250605 663627077 /nfs/dbraw/zinc/62/70/77/663627077.db2.gz JZXAPODIMIKMRN-UHFFFAOYSA-N 1 1 307.354 -1.197 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837020 663627130 /nfs/dbraw/zinc/62/71/30/663627130.db2.gz BOMNKRNIDGQELP-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837020 663627132 /nfs/dbraw/zinc/62/71/32/663627132.db2.gz BOMNKRNIDGQELP-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO NC(=O)CN1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331704 663627553 /nfs/dbraw/zinc/62/75/53/663627553.db2.gz IBBLRAIWLWZKGC-RYCVTPFZSA-N 1 1 322.409 -1.085 20 0 DAADMO NC(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331705 663627670 /nfs/dbraw/zinc/62/76/70/663627670.db2.gz IBBLRAIWLWZKGC-ULKWEWGCSA-N 1 1 322.409 -1.085 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001032837601 663627793 /nfs/dbraw/zinc/62/77/93/663627793.db2.gz HCUQNYUWTUIYHO-UMNHJUIQSA-N 1 1 307.354 -1.063 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841833 663628725 /nfs/dbraw/zinc/62/87/25/663628725.db2.gz BHJATJDCFHNOJN-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841833 663628727 /nfs/dbraw/zinc/62/87/27/663628727.db2.gz BHJATJDCFHNOJN-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)NC1=O ZINC001003437089 663628765 /nfs/dbraw/zinc/62/87/65/663628765.db2.gz OBUWGAVRGSMXEM-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)NC1=O ZINC001003437088 663628973 /nfs/dbraw/zinc/62/89/73/663628973.db2.gz OBUWGAVRGSMXEM-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1)N1CCC1 ZINC001003429056 663628981 /nfs/dbraw/zinc/62/89/81/663628981.db2.gz REJSXRPXQVNANG-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)NC1=O ZINC001003437096 663629087 /nfs/dbraw/zinc/62/90/87/663629087.db2.gz OODWXUMBNRTIRJ-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841917 663629117 /nfs/dbraw/zinc/62/91/17/663629117.db2.gz WYNFTLFUISRUFG-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841917 663629118 /nfs/dbraw/zinc/62/91/18/663629118.db2.gz WYNFTLFUISRUFG-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001003454004 663629586 /nfs/dbraw/zinc/62/95/86/663629586.db2.gz WSNHQOYZLZIMLH-VIFPVBQESA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)CC2 ZINC001003504542 663630057 /nfs/dbraw/zinc/63/00/57/663630057.db2.gz CGHYBDGLEPSVNZ-SNVBAGLBSA-N 1 1 320.397 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003474861 663630126 /nfs/dbraw/zinc/63/01/26/663630126.db2.gz IUVLEIDCVCTZCF-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003474861 663630127 /nfs/dbraw/zinc/63/01/27/663630127.db2.gz IUVLEIDCVCTZCF-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001003475320 663630178 /nfs/dbraw/zinc/63/01/78/663630178.db2.gz QMAACZDMKDERLJ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nncc1C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003533456 663630372 /nfs/dbraw/zinc/63/03/72/663630372.db2.gz YQLHUFNDUZLVCD-LLVKDONJSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001003533045 663631073 /nfs/dbraw/zinc/63/10/73/663631073.db2.gz JOFFDYJUWCEZGU-LLVKDONJSA-N 1 1 309.370 -1.473 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003561995 663632243 /nfs/dbraw/zinc/63/22/43/663632243.db2.gz URVZCHGAZIJABS-NEPJUHHUSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003561999 663632433 /nfs/dbraw/zinc/63/24/33/663632433.db2.gz URVZCHGAZIJABS-RYUDHWBXSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CCNC1=O ZINC001003616535 663633616 /nfs/dbraw/zinc/63/36/16/663633616.db2.gz OAXFUGNXRAUBEF-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001003642885 663633897 /nfs/dbraw/zinc/63/38/97/663633897.db2.gz UELJMTVQRYEJDS-NEPJUHHUSA-N 1 1 308.382 -1.033 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001003615424 663633965 /nfs/dbraw/zinc/63/39/65/663633965.db2.gz PAYCYWMUPYUZJY-WDEREUQCSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003709101 663636240 /nfs/dbraw/zinc/63/62/40/663636240.db2.gz UNWVDTGLGPVQNK-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001003711064 663637067 /nfs/dbraw/zinc/63/70/67/663637067.db2.gz TZRCTGKDCCCHQC-JTQLQIEISA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001003715269 663637863 /nfs/dbraw/zinc/63/78/63/663637863.db2.gz NROFWPMBPXZXRW-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001003714055 663637962 /nfs/dbraw/zinc/63/79/62/663637962.db2.gz ZWZIKBCOMISTED-JTQLQIEISA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032844487 663638032 /nfs/dbraw/zinc/63/80/32/663638032.db2.gz WWFPQNNZBKNRHK-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032844487 663638036 /nfs/dbraw/zinc/63/80/36/663638036.db2.gz WWFPQNNZBKNRHK-YNEHKIRRSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001003742550 663639131 /nfs/dbraw/zinc/63/91/31/663639131.db2.gz VMIYZJNKUJLAKL-CHWSQXEVSA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001003787498 663639369 /nfs/dbraw/zinc/63/93/69/663639369.db2.gz HIDGLHOBIRSSDR-MRVPVSSYSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003808963 663639844 /nfs/dbraw/zinc/63/98/44/663639844.db2.gz WSRVAIDBYIHAKM-NSHDSACASA-N 1 1 309.326 -1.412 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003808963 663639846 /nfs/dbraw/zinc/63/98/46/663639846.db2.gz WSRVAIDBYIHAKM-NSHDSACASA-N 1 1 309.326 -1.412 20 0 DAADMO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)c1ncn[nH]1 ZINC001003815332 663640129 /nfs/dbraw/zinc/64/01/29/663640129.db2.gz DBBVFXOERXACBQ-UHFFFAOYSA-N 1 1 321.341 -1.449 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ncccn3)C2)C1 ZINC001003820432 663640164 /nfs/dbraw/zinc/64/01/64/663640164.db2.gz VSVKYXCEXNZOML-LBPRGKRZSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ncccn3)C2)C1 ZINC001003820432 663640165 /nfs/dbraw/zinc/64/01/65/663640165.db2.gz VSVKYXCEXNZOML-LBPRGKRZSA-N 1 1 319.365 -1.005 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894233 663640296 /nfs/dbraw/zinc/64/02/96/663640296.db2.gz USOPSWKXFWIRAI-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894233 663640302 /nfs/dbraw/zinc/64/03/02/663640302.db2.gz USOPSWKXFWIRAI-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032897957 663640451 /nfs/dbraw/zinc/64/04/51/663640451.db2.gz QQWUXNDDMINRJN-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032897957 663640456 /nfs/dbraw/zinc/64/04/56/663640456.db2.gz QQWUXNDDMINRJN-VHSXEESVSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032896263 663640830 /nfs/dbraw/zinc/64/08/30/663640830.db2.gz FXVMQECOCAHFRF-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032896263 663640831 /nfs/dbraw/zinc/64/08/31/663640831.db2.gz FXVMQECOCAHFRF-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001032894533 663640844 /nfs/dbraw/zinc/64/08/44/663640844.db2.gz YKXKKRLTGJEFBW-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001032894533 663640845 /nfs/dbraw/zinc/64/08/45/663640845.db2.gz YKXKKRLTGJEFBW-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003953347 663642555 /nfs/dbraw/zinc/64/25/55/663642555.db2.gz USHQPMXJKJUKFQ-LLVKDONJSA-N 1 1 320.353 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003956959 663643033 /nfs/dbraw/zinc/64/30/33/663643033.db2.gz XTPZZPDPKKLLIV-JQWIXIFHSA-N 1 1 323.397 -1.416 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(Cc2nnnn2C)C1 ZINC001032975721 663643130 /nfs/dbraw/zinc/64/31/30/663643130.db2.gz LBNGSLKECHNFMP-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(Cc2nnnn2C)C1 ZINC001032975721 663643131 /nfs/dbraw/zinc/64/31/31/663643131.db2.gz LBNGSLKECHNFMP-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003956957 663643139 /nfs/dbraw/zinc/64/31/39/663643139.db2.gz XTPZZPDPKKLLIV-CMPLNLGQSA-N 1 1 323.397 -1.416 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003950735 663643502 /nfs/dbraw/zinc/64/35/02/663643502.db2.gz KXIFSNORVMJZSV-WDEREUQCSA-N 1 1 309.370 -1.806 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001032977060 663643865 /nfs/dbraw/zinc/64/38/65/663643865.db2.gz RHRFGFJUQXVNKB-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001032977060 663643866 /nfs/dbraw/zinc/64/38/66/663643866.db2.gz RHRFGFJUQXVNKB-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033016180 663644372 /nfs/dbraw/zinc/64/43/72/663644372.db2.gz NHKLDTDMVWZYFD-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033016180 663644374 /nfs/dbraw/zinc/64/43/74/663644374.db2.gz NHKLDTDMVWZYFD-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N1 ZINC000922343028 663644781 /nfs/dbraw/zinc/64/47/81/663644781.db2.gz JLVORYXMZIRJBE-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033022257 663645295 /nfs/dbraw/zinc/64/52/95/663645295.db2.gz HAMDCPCNKALVDP-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033022257 663645297 /nfs/dbraw/zinc/64/52/97/663645297.db2.gz HAMDCPCNKALVDP-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027133 663645412 /nfs/dbraw/zinc/64/54/12/663645412.db2.gz VIBZUQYMVQWHQK-NXEZZACHSA-N 1 1 310.358 -1.220 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027133 663645414 /nfs/dbraw/zinc/64/54/14/663645414.db2.gz VIBZUQYMVQWHQK-NXEZZACHSA-N 1 1 310.358 -1.220 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033022728 663645430 /nfs/dbraw/zinc/64/54/30/663645430.db2.gz JDPLUNLFZOEUAC-MNOVXSKESA-N 1 1 324.385 -1.007 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004073718 663645594 /nfs/dbraw/zinc/64/55/94/663645594.db2.gz DYBCBJLBTXBWBV-LBPRGKRZSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948673503 663645776 /nfs/dbraw/zinc/64/57/76/663645776.db2.gz ASFNTLNSELNWLO-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004134601 663646098 /nfs/dbraw/zinc/64/60/98/663646098.db2.gz RRTRHVDIJKWQLG-MRVPVSSYSA-N 1 1 323.353 -1.446 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033049853 663646677 /nfs/dbraw/zinc/64/66/77/663646677.db2.gz YITXSZHPVKVXIG-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033049853 663646678 /nfs/dbraw/zinc/64/66/78/663646678.db2.gz YITXSZHPVKVXIG-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033044482 663646694 /nfs/dbraw/zinc/64/66/94/663646694.db2.gz FSRVQTVQBVGEMH-WDEREUQCSA-N 1 1 308.342 -1.081 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001004201907 663647023 /nfs/dbraw/zinc/64/70/23/663647023.db2.gz SLJBANNUFWBRPE-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004167469 663647054 /nfs/dbraw/zinc/64/70/54/663647054.db2.gz QGBURSPZTCEVAG-SECBINFHSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001004207611 663647445 /nfs/dbraw/zinc/64/74/45/663647445.db2.gz QRLPPIVGSSFQLV-UHFFFAOYSA-N 1 1 309.330 -2.557 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033077840 663647468 /nfs/dbraw/zinc/64/74/68/663647468.db2.gz JEHARRJHPRWCOK-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033077840 663647471 /nfs/dbraw/zinc/64/74/71/663647471.db2.gz JEHARRJHPRWCOK-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033062968 663647541 /nfs/dbraw/zinc/64/75/41/663647541.db2.gz PTGUSAZFLBZUMG-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033062968 663647543 /nfs/dbraw/zinc/64/75/43/663647543.db2.gz PTGUSAZFLBZUMG-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033062969 663647720 /nfs/dbraw/zinc/64/77/20/663647720.db2.gz PTGUSAZFLBZUMG-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033062969 663647721 /nfs/dbraw/zinc/64/77/21/663647721.db2.gz PTGUSAZFLBZUMG-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033084126 663647889 /nfs/dbraw/zinc/64/78/89/663647889.db2.gz BKORQROAGTWJBI-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033083956 663647898 /nfs/dbraw/zinc/64/78/98/663647898.db2.gz BBZRGNDQURHCIK-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001033083970 663647931 /nfs/dbraw/zinc/64/79/31/663647931.db2.gz BBZRGNDQURHCIK-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033081713 663648177 /nfs/dbraw/zinc/64/81/77/663648177.db2.gz KWKNDHHFAZESJD-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033081713 663648181 /nfs/dbraw/zinc/64/81/81/663648181.db2.gz KWKNDHHFAZESJD-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004283723 663648318 /nfs/dbraw/zinc/64/83/18/663648318.db2.gz BWBLAQBOPJLHLS-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H]1[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000922703065 663648341 /nfs/dbraw/zinc/64/83/41/663648341.db2.gz UFLPBEPSYUBDGX-VHSXEESVSA-N 1 1 307.420 -1.226 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004286035 663648355 /nfs/dbraw/zinc/64/83/55/663648355.db2.gz SNCREUATRWLMNY-IUCAKERBSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000922703066 663648461 /nfs/dbraw/zinc/64/84/61/663648461.db2.gz UFLPBEPSYUBDGX-ZJUUUORDSA-N 1 1 307.420 -1.226 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004284848 663648490 /nfs/dbraw/zinc/64/84/90/663648490.db2.gz IOHVNBUUQUAONC-ONGXEEELSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004284847 663648623 /nfs/dbraw/zinc/64/86/23/663648623.db2.gz IOHVNBUUQUAONC-MWLCHTKSSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)CC[C@@H]2C1 ZINC000946592796 663648791 /nfs/dbraw/zinc/64/87/91/663648791.db2.gz XXKFFZCKPHLGOF-UTUOFQBUSA-N 1 1 321.385 -1.283 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001004463549 663649603 /nfs/dbraw/zinc/64/96/03/663649603.db2.gz WRCWFHZEXPHZFE-WOPDTQHZSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001004446384 663649730 /nfs/dbraw/zinc/64/97/30/663649730.db2.gz YOAGTJHPSVFDNS-GXSJLCMTSA-N 1 1 321.385 -1.404 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001004451903 663649822 /nfs/dbraw/zinc/64/98/22/663649822.db2.gz CQIGSPAVDZWWIO-JQWIXIFHSA-N 1 1 321.385 -1.555 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004463966 663649878 /nfs/dbraw/zinc/64/98/78/663649878.db2.gz YKWZEQDWCRJABL-GRYCIOLGSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004463966 663649880 /nfs/dbraw/zinc/64/98/80/663649880.db2.gz YKWZEQDWCRJABL-GRYCIOLGSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004472802 663650178 /nfs/dbraw/zinc/65/01/78/663650178.db2.gz PMADOEMFJWUTHL-UTUOFQBUSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001004460634 663650316 /nfs/dbraw/zinc/65/03/16/663650316.db2.gz UBACOJTVLXKYMC-CMPLNLGQSA-N 1 1 321.385 -1.555 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125197 663650572 /nfs/dbraw/zinc/65/05/72/663650572.db2.gz AREZKSXFNYNNGY-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125199 663650810 /nfs/dbraw/zinc/65/08/10/663650810.db2.gz AREZKSXFNYNNGY-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033132609 663651390 /nfs/dbraw/zinc/65/13/90/663651390.db2.gz VLMFUHRQKYYFEF-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001004532772 663651563 /nfs/dbraw/zinc/65/15/63/663651563.db2.gz VLFAVJWNNPJKHC-RYUDHWBXSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001004526270 663651592 /nfs/dbraw/zinc/65/15/92/663651592.db2.gz YWXIRYLWPRARQM-LLVKDONJSA-N 1 1 321.385 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151566 663651893 /nfs/dbraw/zinc/65/18/93/663651893.db2.gz HELKSVSSWYEXOF-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151566 663651894 /nfs/dbraw/zinc/65/18/94/663651894.db2.gz HELKSVSSWYEXOF-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033152050 663652155 /nfs/dbraw/zinc/65/21/55/663652155.db2.gz JSTMZJJZPQHDTM-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033152050 663652156 /nfs/dbraw/zinc/65/21/56/663652156.db2.gz JSTMZJJZPQHDTM-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153206 663652397 /nfs/dbraw/zinc/65/23/97/663652397.db2.gz FNCFWFKINVTYEI-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153206 663652399 /nfs/dbraw/zinc/65/23/99/663652399.db2.gz FNCFWFKINVTYEI-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033162904 663652959 /nfs/dbraw/zinc/65/29/59/663652959.db2.gz VIMOBXBTMVAYPJ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033162904 663652962 /nfs/dbraw/zinc/65/29/62/663652962.db2.gz VIMOBXBTMVAYPJ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)CC[C@@H]2C1 ZINC000946723865 663653171 /nfs/dbraw/zinc/65/31/71/663653171.db2.gz YKJCNBBCZQLFQS-GARJFASQSA-N 1 1 321.385 -1.132 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743652 663653752 /nfs/dbraw/zinc/65/37/52/663653752.db2.gz XTTZPBVDZRZDGB-WYUUTHIRSA-N 1 1 323.397 -1.288 20 0 DAADMO CNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653892 /nfs/dbraw/zinc/65/38/92/663653892.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186342 663653895 /nfs/dbraw/zinc/65/38/95/663653895.db2.gz VGKYOGUIBJAOCT-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743190 663653935 /nfs/dbraw/zinc/65/39/35/663653935.db2.gz OJQPUMZEPXCATF-TUAOUCFPSA-N 1 1 323.397 -1.416 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)C1=O ZINC000946752190 663654572 /nfs/dbraw/zinc/65/45/72/663654572.db2.gz WYPBIMPABUDTNC-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033207432 663654762 /nfs/dbraw/zinc/65/47/62/663654762.db2.gz OTNZNOIPEULNLT-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206679 663654807 /nfs/dbraw/zinc/65/48/07/663654807.db2.gz IIRLPUOTKMWQKX-LLVKDONJSA-N 1 1 324.385 -1.797 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206679 663654810 /nfs/dbraw/zinc/65/48/10/663654810.db2.gz IIRLPUOTKMWQKX-LLVKDONJSA-N 1 1 324.385 -1.797 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033212839 663654818 /nfs/dbraw/zinc/65/48/18/663654818.db2.gz CTTVFQFLUJABFF-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033212839 663654822 /nfs/dbraw/zinc/65/48/22/663654822.db2.gz CTTVFQFLUJABFF-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033207435 663654887 /nfs/dbraw/zinc/65/48/87/663654887.db2.gz OTNZNOIPEULNLT-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207651 663654965 /nfs/dbraw/zinc/65/49/65/663654965.db2.gz NQUDBBCHIIHZQQ-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207651 663654969 /nfs/dbraw/zinc/65/49/69/663654969.db2.gz NQUDBBCHIIHZQQ-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033213874 663655246 /nfs/dbraw/zinc/65/52/46/663655246.db2.gz YQPBKBQOUXNWTK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033213874 663655249 /nfs/dbraw/zinc/65/52/49/663655249.db2.gz YQPBKBQOUXNWTK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033239353 663656140 /nfs/dbraw/zinc/65/61/40/663656140.db2.gz CNHYQMOCCHSOQL-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241060 663656183 /nfs/dbraw/zinc/65/61/83/663656183.db2.gz SEMDYUXFQSLRQJ-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033277814 663656632 /nfs/dbraw/zinc/65/66/32/663656632.db2.gz HRYKLXYJWYGBQE-WULFKBJJSA-N 1 1 322.409 -1.132 20 0 DAADMO CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033286976 663657321 /nfs/dbraw/zinc/65/73/21/663657321.db2.gz UJZYGXNPSCHJMC-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000946796469 663657394 /nfs/dbraw/zinc/65/73/94/663657394.db2.gz JVFXVHGXNJVUBQ-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)Cn2cnnn2)CC1 ZINC001005088155 663657426 /nfs/dbraw/zinc/65/74/26/663657426.db2.gz MAQXGRKUXZKRQG-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033287367 663657451 /nfs/dbraw/zinc/65/74/51/663657451.db2.gz XWYKWXXQWKJVGY-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033287367 663657454 /nfs/dbraw/zinc/65/74/54/663657454.db2.gz XWYKWXXQWKJVGY-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO Cn1nnc(C(=O)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000946796045 663657463 /nfs/dbraw/zinc/65/74/63/663657463.db2.gz CGQJIUXCPWPREK-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)Cn3cnnn3)CC2)C1 ZINC000946796471 663657531 /nfs/dbraw/zinc/65/75/31/663657531.db2.gz JVJCXTPWISPKGS-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001033315062 663657976 /nfs/dbraw/zinc/65/79/76/663657976.db2.gz IOKWNURIPWEEAY-JTQLQIEISA-N 1 1 320.357 -1.168 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328144 663658349 /nfs/dbraw/zinc/65/83/49/663658349.db2.gz MUCRKXWSLWBVOF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326138 663658354 /nfs/dbraw/zinc/65/83/54/663658354.db2.gz AEDUULQZFPFKHY-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326138 663658356 /nfs/dbraw/zinc/65/83/56/663658356.db2.gz AEDUULQZFPFKHY-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033326990 663658403 /nfs/dbraw/zinc/65/84/03/663658403.db2.gz FLVRZSBWOWWQPB-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033326990 663658405 /nfs/dbraw/zinc/65/84/05/663658405.db2.gz FLVRZSBWOWWQPB-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033327032 663658414 /nfs/dbraw/zinc/65/84/14/663658414.db2.gz GGGYNZHQDFEFFR-VXGBXAGGSA-N 1 1 321.385 -1.166 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033329807 663658429 /nfs/dbraw/zinc/65/84/29/663658429.db2.gz VWBFCLAOUIKLLN-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033329807 663658430 /nfs/dbraw/zinc/65/84/30/663658430.db2.gz VWBFCLAOUIKLLN-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327947 663658558 /nfs/dbraw/zinc/65/85/58/663658558.db2.gz LYUNLAQGGBCFKK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033322438 663658563 /nfs/dbraw/zinc/65/85/63/663658563.db2.gz VIAYSUVYQHFDQE-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033322438 663658565 /nfs/dbraw/zinc/65/85/65/663658565.db2.gz VIAYSUVYQHFDQE-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033336272 663659071 /nfs/dbraw/zinc/65/90/71/663659071.db2.gz OVACFYCFTYNHME-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033336272 663659072 /nfs/dbraw/zinc/65/90/72/663659072.db2.gz OVACFYCFTYNHME-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033334780 663659089 /nfs/dbraw/zinc/65/90/89/663659089.db2.gz WURVNZKRACMOOW-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001033340107 663659248 /nfs/dbraw/zinc/65/92/48/663659248.db2.gz DBZHGHGVHAMBMQ-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033340107 663659250 /nfs/dbraw/zinc/65/92/50/663659250.db2.gz DBZHGHGVHAMBMQ-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033343370 663659372 /nfs/dbraw/zinc/65/93/72/663659372.db2.gz CTLZCZSPXJSFQM-JTQLQIEISA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033340108 663659498 /nfs/dbraw/zinc/65/94/98/663659498.db2.gz DBZHGHGVHAMBMQ-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033340108 663659501 /nfs/dbraw/zinc/65/95/01/663659501.db2.gz DBZHGHGVHAMBMQ-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033372906 663660073 /nfs/dbraw/zinc/66/00/73/663660073.db2.gz KUZMTESFZRNQID-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033373823 663660160 /nfs/dbraw/zinc/66/01/60/663660160.db2.gz RDAWMDJISYYLCE-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033373823 663660162 /nfs/dbraw/zinc/66/01/62/663660162.db2.gz RDAWMDJISYYLCE-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001033375898 663660191 /nfs/dbraw/zinc/66/01/91/663660191.db2.gz KNXAWJZTSKWXQM-QWRGUYRKSA-N 1 1 312.370 -2.012 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033379059 663660671 /nfs/dbraw/zinc/66/06/71/663660671.db2.gz JOXCSOQEDSRXQL-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033379059 663660673 /nfs/dbraw/zinc/66/06/73/663660673.db2.gz JOXCSOQEDSRXQL-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033427063 663660759 /nfs/dbraw/zinc/66/07/59/663660759.db2.gz XHCFKZMZYOZLOV-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033475955 663661193 /nfs/dbraw/zinc/66/11/93/663661193.db2.gz YHDJTIVPDIAMBM-QWRGUYRKSA-N 1 1 324.381 -1.389 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501774 663661361 /nfs/dbraw/zinc/66/13/61/663661361.db2.gz IQIPPJMAZLVRGX-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501774 663661364 /nfs/dbraw/zinc/66/13/64/663661364.db2.gz IQIPPJMAZLVRGX-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033501105 663661405 /nfs/dbraw/zinc/66/14/05/663661405.db2.gz BHQUGUHZFDTZKZ-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033501105 663661408 /nfs/dbraw/zinc/66/14/08/663661408.db2.gz BHQUGUHZFDTZKZ-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)Cn1ncn2nccc2c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033474971 663661466 /nfs/dbraw/zinc/66/14/66/663661466.db2.gz UHLSNUYQDXLXON-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501773 663661481 /nfs/dbraw/zinc/66/14/81/663661481.db2.gz IQIPPJMAZLVRGX-GXSJLCMTSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501773 663661482 /nfs/dbraw/zinc/66/14/82/663661482.db2.gz IQIPPJMAZLVRGX-GXSJLCMTSA-N 1 1 324.381 -1.294 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033470906 663661581 /nfs/dbraw/zinc/66/15/81/663661581.db2.gz CQEYQKXNEDTBCI-SECBINFHSA-N 1 1 323.353 -2.284 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033470906 663661586 /nfs/dbraw/zinc/66/15/86/663661586.db2.gz CQEYQKXNEDTBCI-SECBINFHSA-N 1 1 323.353 -2.284 20 0 DAADMO CN(C(=O)Cn1ncn2nccc2c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033474961 663661718 /nfs/dbraw/zinc/66/17/18/663661718.db2.gz UHLSNUYQDXLXON-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507210 663661897 /nfs/dbraw/zinc/66/18/97/663661897.db2.gz CYPMOYDBGBBGJT-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507210 663661899 /nfs/dbraw/zinc/66/18/99/663661899.db2.gz CYPMOYDBGBBGJT-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033508279 663662189 /nfs/dbraw/zinc/66/21/89/663662189.db2.gz SIZNPLAINMARHT-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033508279 663662191 /nfs/dbraw/zinc/66/21/91/663662191.db2.gz SIZNPLAINMARHT-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033499113 663662412 /nfs/dbraw/zinc/66/24/12/663662412.db2.gz URMXNTVRPSSJKB-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033499113 663662413 /nfs/dbraw/zinc/66/24/13/663662413.db2.gz URMXNTVRPSSJKB-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001033555804 663662793 /nfs/dbraw/zinc/66/27/93/663662793.db2.gz BOPYSSUOZUIKKA-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033567606 663663161 /nfs/dbraw/zinc/66/31/61/663663161.db2.gz ACLFPOBLXAYJEJ-LLVKDONJSA-N 1 1 321.385 -1.095 20 0 DAADMO CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033575437 663663548 /nfs/dbraw/zinc/66/35/48/663663548.db2.gz AJZZORMRXRJUQH-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001033577751 663663684 /nfs/dbraw/zinc/66/36/84/663663684.db2.gz PULSHPCDYDINBL-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001005209018 663663725 /nfs/dbraw/zinc/66/37/25/663663725.db2.gz JLSQTRWQCHYURC-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033570837 663664012 /nfs/dbraw/zinc/66/40/12/663664012.db2.gz KQXPGUJESGJAAD-UWVGGRQHSA-N 1 1 320.353 -1.315 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033570837 663664015 /nfs/dbraw/zinc/66/40/15/663664015.db2.gz KQXPGUJESGJAAD-UWVGGRQHSA-N 1 1 320.353 -1.315 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001033599361 663664392 /nfs/dbraw/zinc/66/43/92/663664392.db2.gz OQZFXQZOYHILPM-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001033599361 663664394 /nfs/dbraw/zinc/66/43/94/663664394.db2.gz OQZFXQZOYHILPM-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001033599286 663664549 /nfs/dbraw/zinc/66/45/49/663664549.db2.gz NBRMPYVOLNKGKZ-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001033599286 663664551 /nfs/dbraw/zinc/66/45/51/663664551.db2.gz NBRMPYVOLNKGKZ-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641114 663664881 /nfs/dbraw/zinc/66/48/81/663664881.db2.gz XDAOCBIGPQACGI-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641114 663664884 /nfs/dbraw/zinc/66/48/84/663664884.db2.gz XDAOCBIGPQACGI-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740220 663664944 /nfs/dbraw/zinc/66/49/44/663664944.db2.gz JDUVTJWHHGJLBM-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740220 663664945 /nfs/dbraw/zinc/66/49/45/663664945.db2.gz JDUVTJWHHGJLBM-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646564 663665086 /nfs/dbraw/zinc/66/50/86/663665086.db2.gz OMZXPDNLMNSYAF-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646564 663665087 /nfs/dbraw/zinc/66/50/87/663665087.db2.gz OMZXPDNLMNSYAF-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740221 663665344 /nfs/dbraw/zinc/66/53/44/663665344.db2.gz JDUVTJWHHGJLBM-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740221 663665346 /nfs/dbraw/zinc/66/53/46/663665346.db2.gz JDUVTJWHHGJLBM-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001033643238 663665621 /nfs/dbraw/zinc/66/56/21/663665621.db2.gz WFKNMQOHXOQTGS-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660178 663665777 /nfs/dbraw/zinc/66/57/77/663665777.db2.gz NVQSJPSAWQLUAK-RKDXNWHRSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660178 663665781 /nfs/dbraw/zinc/66/57/81/663665781.db2.gz NVQSJPSAWQLUAK-RKDXNWHRSA-N 1 1 323.353 -1.494 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671735 663665795 /nfs/dbraw/zinc/66/57/95/663665795.db2.gz QCZVTFJINIPBMU-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671735 663665797 /nfs/dbraw/zinc/66/57/97/663665797.db2.gz QCZVTFJINIPBMU-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033643694 663665833 /nfs/dbraw/zinc/66/58/33/663665833.db2.gz DXMGHVNJYUWRGD-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033645350 663665901 /nfs/dbraw/zinc/66/59/01/663665901.db2.gz BYJSBBZANLFWLE-WDEREUQCSA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033645350 663665904 /nfs/dbraw/zinc/66/59/04/663665904.db2.gz BYJSBBZANLFWLE-WDEREUQCSA-N 1 1 322.365 -1.443 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670338 663665963 /nfs/dbraw/zinc/66/59/63/663665963.db2.gz ADFFAWKGHYCJSB-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670338 663665966 /nfs/dbraw/zinc/66/59/66/663665966.db2.gz ADFFAWKGHYCJSB-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033676314 663666093 /nfs/dbraw/zinc/66/60/93/663666093.db2.gz WBHBOALGYOVFOW-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033711830 663666343 /nfs/dbraw/zinc/66/63/43/663666343.db2.gz DCASISJJRGKFGA-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001033711830 663666345 /nfs/dbraw/zinc/66/63/45/663666345.db2.gz DCASISJJRGKFGA-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684632 663666377 /nfs/dbraw/zinc/66/63/77/663666377.db2.gz GQTPLGPFVYXAIS-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CN2CN=NC2=O)CC1 ZINC001005289555 663666708 /nfs/dbraw/zinc/66/67/08/663666708.db2.gz OSYBRGNLQVQKBP-UHFFFAOYSA-N 1 1 310.358 -1.348 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033711828 663666727 /nfs/dbraw/zinc/66/67/27/663666727.db2.gz DCASISJJRGKFGA-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033711828 663666729 /nfs/dbraw/zinc/66/67/29/663666729.db2.gz DCASISJJRGKFGA-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CN2CN=NC2=O)CC1 ZINC001005290618 663666788 /nfs/dbraw/zinc/66/67/88/663666788.db2.gz RBAUDQCAMOSTJL-SECBINFHSA-N 1 1 310.358 -1.220 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033686999 663666904 /nfs/dbraw/zinc/66/69/04/663666904.db2.gz WBTGDGXXFLDXTI-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO COCCn1cc(C(=O)N(C)C2CC[NH+](CC(N)=O)CC2)nn1 ZINC001005376897 663667062 /nfs/dbraw/zinc/66/70/62/663667062.db2.gz WKNICKPSLROEMQ-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005393619 663667544 /nfs/dbraw/zinc/66/75/44/663667544.db2.gz SFAQKPPBSOIASM-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033929012 663667764 /nfs/dbraw/zinc/66/77/64/663667764.db2.gz ITDKJJAWFUDINI-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033929012 663667766 /nfs/dbraw/zinc/66/77/66/663667766.db2.gz ITDKJJAWFUDINI-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001033936892 663668588 /nfs/dbraw/zinc/66/85/88/663668588.db2.gz CZJQGGPRBLUMMU-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001033936892 663668590 /nfs/dbraw/zinc/66/85/90/663668590.db2.gz CZJQGGPRBLUMMU-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001034038231 663668624 /nfs/dbraw/zinc/66/86/24/663668624.db2.gz QVRHNCFPYLPKCB-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034038231 663668626 /nfs/dbraw/zinc/66/86/26/663668626.db2.gz QVRHNCFPYLPKCB-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033938375 663668699 /nfs/dbraw/zinc/66/86/99/663668699.db2.gz OZJUWBVUIIRNTL-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033938375 663668700 /nfs/dbraw/zinc/66/87/00/663668700.db2.gz OZJUWBVUIIRNTL-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033936387 663668724 /nfs/dbraw/zinc/66/87/24/663668724.db2.gz ABEGINCLCRSPEX-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034101168 663668952 /nfs/dbraw/zinc/66/89/52/663668952.db2.gz SRZTVMDPXMGHEJ-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034049480 663669014 /nfs/dbraw/zinc/66/90/14/663669014.db2.gz RDVZWKLLPWUDAK-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034093971 663669049 /nfs/dbraw/zinc/66/90/49/663669049.db2.gz HNBVLYGCOCWARR-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034093971 663669052 /nfs/dbraw/zinc/66/90/52/663669052.db2.gz HNBVLYGCOCWARR-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001034096016 663669106 /nfs/dbraw/zinc/66/91/06/663669106.db2.gz BBZOJZVWTZCUSF-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034094008 663669133 /nfs/dbraw/zinc/66/91/33/663669133.db2.gz HUYOBKNOOWAXDN-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034044352 663669184 /nfs/dbraw/zinc/66/91/84/663669184.db2.gz KILYCYGTNBRPQO-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034048013 663669317 /nfs/dbraw/zinc/66/93/17/663669317.db2.gz DFSLTFCDQJTYHG-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034094010 663669373 /nfs/dbraw/zinc/66/93/73/663669373.db2.gz HUYOBKNOOWAXDN-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034210220 663669556 /nfs/dbraw/zinc/66/95/56/663669556.db2.gz GCTIJWFPHJYKLB-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034210220 663669560 /nfs/dbraw/zinc/66/95/60/663669560.db2.gz GCTIJWFPHJYKLB-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034211843 663669602 /nfs/dbraw/zinc/66/96/02/663669602.db2.gz PBLRKRLYKGMDEZ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034211843 663669604 /nfs/dbraw/zinc/66/96/04/663669604.db2.gz PBLRKRLYKGMDEZ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+](CC(=O)N2CCC2)C1 ZINC001034210431 663669745 /nfs/dbraw/zinc/66/97/45/663669745.db2.gz GVNHCSRGNDVCGM-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001034210431 663669746 /nfs/dbraw/zinc/66/97/46/663669746.db2.gz GVNHCSRGNDVCGM-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034206887 663669806 /nfs/dbraw/zinc/66/98/06/663669806.db2.gz GJEALZUTPAYTDA-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220722 663669945 /nfs/dbraw/zinc/66/99/45/663669945.db2.gz WKJNNXCJNVDSAP-SECBINFHSA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220722 663669947 /nfs/dbraw/zinc/66/99/47/663669947.db2.gz WKJNNXCJNVDSAP-SECBINFHSA-N 1 1 323.357 -2.167 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001034339981 663670175 /nfs/dbraw/zinc/67/01/75/663670175.db2.gz KSQQHSAWSOUTIG-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001034339981 663670178 /nfs/dbraw/zinc/67/01/78/663670178.db2.gz KSQQHSAWSOUTIG-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)n1 ZINC001034221167 663670364 /nfs/dbraw/zinc/67/03/64/663670364.db2.gz ZSQPAYUJCWLDJR-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034232601 663670414 /nfs/dbraw/zinc/67/04/14/663670414.db2.gz VLYALNLJNYWHBN-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@H](C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231516 663670455 /nfs/dbraw/zinc/67/04/55/663670455.db2.gz PIZYYMKEBHFAAR-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231516 663670457 /nfs/dbraw/zinc/67/04/57/663670457.db2.gz PIZYYMKEBHFAAR-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034246329 663670535 /nfs/dbraw/zinc/67/05/35/663670535.db2.gz DMYJPUIJFPUWPR-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001034339979 663670719 /nfs/dbraw/zinc/67/07/19/663670719.db2.gz KSQQHSAWSOUTIG-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001034339979 663670722 /nfs/dbraw/zinc/67/07/22/663670722.db2.gz KSQQHSAWSOUTIG-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348473 663671103 /nfs/dbraw/zinc/67/11/03/663671103.db2.gz BZDXBIVNGMJNSU-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348473 663671105 /nfs/dbraw/zinc/67/11/05/663671105.db2.gz BZDXBIVNGMJNSU-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348481 663671159 /nfs/dbraw/zinc/67/11/59/663671159.db2.gz BZDXBIVNGMJNSU-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348481 663671161 /nfs/dbraw/zinc/67/11/61/663671161.db2.gz BZDXBIVNGMJNSU-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001034346318 663671217 /nfs/dbraw/zinc/67/12/17/663671217.db2.gz BREQNWIUGBZCMS-UWVGGRQHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001034346318 663671219 /nfs/dbraw/zinc/67/12/19/663671219.db2.gz BREQNWIUGBZCMS-UWVGGRQHSA-N 1 1 307.358 -1.317 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001034373825 663671431 /nfs/dbraw/zinc/67/14/31/663671431.db2.gz YFSABPBBGGVVNK-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001034373825 663671433 /nfs/dbraw/zinc/67/14/33/663671433.db2.gz YFSABPBBGGVVNK-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001034523951 663671620 /nfs/dbraw/zinc/67/16/20/663671620.db2.gz JMZORLODFBOLHG-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001034523951 663671624 /nfs/dbraw/zinc/67/16/24/663671624.db2.gz JMZORLODFBOLHG-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001034509055 663671835 /nfs/dbraw/zinc/67/18/35/663671835.db2.gz MWBIRNHSCAOTBM-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001034509055 663671836 /nfs/dbraw/zinc/67/18/36/663671836.db2.gz MWBIRNHSCAOTBM-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO O=C(N[C@@H]1CCCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001034443615 663671858 /nfs/dbraw/zinc/67/18/58/663671858.db2.gz YFFSLOLWPBLWFU-LOIXOFCESA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)S1(=O)=O ZINC001034442171 663671977 /nfs/dbraw/zinc/67/19/77/663671977.db2.gz MVOPKBXGHHFYEW-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cnnn3)CC2)n1 ZINC001034589774 663672306 /nfs/dbraw/zinc/67/23/06/663672306.db2.gz OWIRRXHOYOMMRY-MGCOHNPYSA-N 1 1 320.361 -1.586 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034561054 663672553 /nfs/dbraw/zinc/67/25/53/663672553.db2.gz ZQXTUFXUPOTLMT-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034561054 663672556 /nfs/dbraw/zinc/67/25/56/663672556.db2.gz ZQXTUFXUPOTLMT-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)nn1 ZINC001034543807 663672568 /nfs/dbraw/zinc/67/25/68/663672568.db2.gz KLXNLQYCTRKWKM-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCNC3=O)CC2)n1 ZINC001034706232 663673438 /nfs/dbraw/zinc/67/34/38/663673438.db2.gz ICCQQGFJSLPVAO-DCAQKATOSA-N 1 1 321.385 -1.137 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005667882 663673787 /nfs/dbraw/zinc/67/37/87/663673787.db2.gz JAKLGFIPKSWDLE-MXWKQRLJSA-N 1 1 305.338 -1.075 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001005660253 663673908 /nfs/dbraw/zinc/67/39/08/663673908.db2.gz HFCHCTNMIKSEBS-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005668328 663674073 /nfs/dbraw/zinc/67/40/73/663674073.db2.gz KCGPTCZNLKUEEG-MXWKQRLJSA-N 1 1 305.338 -1.075 20 0 DAADMO CN(C(=O)Cn1ccc(=O)[nH]c1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001005675515 663674305 /nfs/dbraw/zinc/67/43/05/663674305.db2.gz GBHZJWBXKKJZMN-UHFFFAOYSA-N 1 1 323.353 -1.643 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797885 663674622 /nfs/dbraw/zinc/67/46/22/663674622.db2.gz VQEURWFSKLZORU-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797885 663674623 /nfs/dbraw/zinc/67/46/23/663674623.db2.gz VQEURWFSKLZORU-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CN=NC2=O)nn1 ZINC001034913547 663675065 /nfs/dbraw/zinc/67/50/65/663675065.db2.gz QQPSEVIQGMQSLM-LLVKDONJSA-N 1 1 320.357 -1.107 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1)c1nnnn1C ZINC001034854955 663675307 /nfs/dbraw/zinc/67/53/07/663675307.db2.gz MVYRCUYGROFSSX-NXEZZACHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001034872632 663675354 /nfs/dbraw/zinc/67/53/54/663675354.db2.gz VGOSUAFKGHQVEN-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)C[NH+]1CCOCC1 ZINC000625747290 663675931 /nfs/dbraw/zinc/67/59/31/663675931.db2.gz CWSZZMPUXLKJIH-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2ncnn2)n1 ZINC001034937483 663675979 /nfs/dbraw/zinc/67/59/79/663675979.db2.gz SHUFIXFDWHKXTK-LLVKDONJSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)c1nnn(C)n1)c1nnnn1C ZINC001035018548 663676359 /nfs/dbraw/zinc/67/63/59/663676359.db2.gz JZSMXDCTAHEOIG-DTWKUNHWSA-N 1 1 320.361 -1.311 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)NC1=O ZINC001035011152 663676462 /nfs/dbraw/zinc/67/64/62/663676462.db2.gz AQSCBAGSYMVXKB-ZJUUUORDSA-N 1 1 322.373 -1.686 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001035010782 663676519 /nfs/dbraw/zinc/67/65/19/663676519.db2.gz AXJCFFSHZWUBNZ-GFCCVEGCSA-N 1 1 322.369 -1.418 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)c2nnn(C)n2)nn1 ZINC001035016395 663676589 /nfs/dbraw/zinc/67/65/89/663676589.db2.gz AHWPBWRMASWAKG-SNVBAGLBSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001034983735 663676726 /nfs/dbraw/zinc/67/67/26/663676726.db2.gz NYSLLKVZIJXAMM-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001035029175 663676748 /nfs/dbraw/zinc/67/67/48/663676748.db2.gz BONYWGCTPJQCRO-SECBINFHSA-N 1 1 318.341 -1.312 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001035032017 663676941 /nfs/dbraw/zinc/67/69/41/663676941.db2.gz KQCXNZWXEQJKIN-SECBINFHSA-N 1 1 307.358 -1.444 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001035030835 663676963 /nfs/dbraw/zinc/67/69/63/663676963.db2.gz OAJFLEXRVWUTQZ-GHMZBOCLSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCn2cnnn2)nn1 ZINC001035084915 663677098 /nfs/dbraw/zinc/67/70/98/663677098.db2.gz FZVRJDYWHSHHES-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035220414 663677539 /nfs/dbraw/zinc/67/75/39/663677539.db2.gz DHYHRCMUUPXUPH-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001035106000 663677825 /nfs/dbraw/zinc/67/78/25/663677825.db2.gz OTSZZXHHMNHYMM-ZJUUUORDSA-N 1 1 307.358 -1.431 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035186310 663677901 /nfs/dbraw/zinc/67/79/01/663677901.db2.gz ZXVFJGWXQWKGCW-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035239251 663678072 /nfs/dbraw/zinc/67/80/72/663678072.db2.gz GLRMNPCKOCUFGW-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035253388 663678221 /nfs/dbraw/zinc/67/82/21/663678221.db2.gz HLILZFTVJKNNST-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035326538 663679248 /nfs/dbraw/zinc/67/92/48/663679248.db2.gz GXMQIGMSPOBOLU-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035326538 663679249 /nfs/dbraw/zinc/67/92/49/663679249.db2.gz GXMQIGMSPOBOLU-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035329107 663679271 /nfs/dbraw/zinc/67/92/71/663679271.db2.gz ZMNZOTPLMYGIDR-RYUDHWBXSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035329107 663679272 /nfs/dbraw/zinc/67/92/72/663679272.db2.gz ZMNZOTPLMYGIDR-RYUDHWBXSA-N 1 1 314.386 -2.120 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035423028 663681421 /nfs/dbraw/zinc/68/14/21/663681421.db2.gz KRQPTOAULCKMLW-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035423028 663681424 /nfs/dbraw/zinc/68/14/24/663681424.db2.gz KRQPTOAULCKMLW-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)cc1=O ZINC001035401310 663681518 /nfs/dbraw/zinc/68/15/18/663681518.db2.gz YTJLXDDENDFMPL-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)cc1=O ZINC001035401310 663681519 /nfs/dbraw/zinc/68/15/19/663681519.db2.gz YTJLXDDENDFMPL-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403970 663681785 /nfs/dbraw/zinc/68/17/85/663681785.db2.gz KAJUWNMGOUULRP-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403970 663681786 /nfs/dbraw/zinc/68/17/86/663681786.db2.gz KAJUWNMGOUULRP-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403971 663681915 /nfs/dbraw/zinc/68/19/15/663681915.db2.gz KAJUWNMGOUULRP-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403971 663681917 /nfs/dbraw/zinc/68/19/17/663681917.db2.gz KAJUWNMGOUULRP-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)O1 ZINC001035408687 663682260 /nfs/dbraw/zinc/68/22/60/663682260.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)O1 ZINC001035408687 663682262 /nfs/dbraw/zinc/68/22/62/663682262.db2.gz SSTDRRWRIVXOPS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435702 663682844 /nfs/dbraw/zinc/68/28/44/663682844.db2.gz MGJLLBMBPVGOAJ-PWSUYJOCSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435702 663682849 /nfs/dbraw/zinc/68/28/49/663682849.db2.gz MGJLLBMBPVGOAJ-PWSUYJOCSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443517 663683144 /nfs/dbraw/zinc/68/31/44/663683144.db2.gz DQYSHGYHVSYBHX-CMPLNLGQSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443517 663683147 /nfs/dbraw/zinc/68/31/47/663683147.db2.gz DQYSHGYHVSYBHX-CMPLNLGQSA-N 1 1 320.353 -1.064 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)ncc1=O ZINC001035451006 663683199 /nfs/dbraw/zinc/68/31/99/663683199.db2.gz XELBLSDSYOIPHZ-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)ncc1=O ZINC001035451006 663683200 /nfs/dbraw/zinc/68/32/00/663683200.db2.gz XELBLSDSYOIPHZ-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC001035506825 663684929 /nfs/dbraw/zinc/68/49/29/663684929.db2.gz YBYQIZWFUVIXQX-SNVBAGLBSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC001035506825 663684932 /nfs/dbraw/zinc/68/49/32/663684932.db2.gz YBYQIZWFUVIXQX-SNVBAGLBSA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035546698 663686041 /nfs/dbraw/zinc/68/60/41/663686041.db2.gz GZZBGGOJBKPCKK-LLVKDONJSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035546698 663686043 /nfs/dbraw/zinc/68/60/43/663686043.db2.gz GZZBGGOJBKPCKK-LLVKDONJSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541262 663686222 /nfs/dbraw/zinc/68/62/22/663686222.db2.gz GJYYGUZBSQQOSO-KOLCDFICSA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001035541262 663686224 /nfs/dbraw/zinc/68/62/24/663686224.db2.gz GJYYGUZBSQQOSO-KOLCDFICSA-N 1 1 313.354 -1.763 20 0 DAADMO Cn1nnnc1CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035599398 663687169 /nfs/dbraw/zinc/68/71/69/663687169.db2.gz IIVUYPVGEQDIHW-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604056 663687654 /nfs/dbraw/zinc/68/76/54/663687654.db2.gz YGBLQZILAMUAGF-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604056 663687656 /nfs/dbraw/zinc/68/76/56/663687656.db2.gz YGBLQZILAMUAGF-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035621369 663688239 /nfs/dbraw/zinc/68/82/39/663688239.db2.gz AXNDRKKOSWYEER-NEPJUHHUSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035621369 663688241 /nfs/dbraw/zinc/68/82/41/663688241.db2.gz AXNDRKKOSWYEER-NEPJUHHUSA-N 1 1 314.386 -1.271 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035612181 663689373 /nfs/dbraw/zinc/68/93/73/663689373.db2.gz ADRXSDWCJVVFDN-GHMZBOCLSA-N 1 1 305.400 -1.097 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035612181 663689375 /nfs/dbraw/zinc/68/93/75/663689375.db2.gz ADRXSDWCJVVFDN-GHMZBOCLSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035608216 663688771 /nfs/dbraw/zinc/68/87/71/663688771.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035608216 663688774 /nfs/dbraw/zinc/68/87/74/663688774.db2.gz ZAKODIMQOMIYQX-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613870 663688978 /nfs/dbraw/zinc/68/89/78/663688978.db2.gz LXEQFOQNNALINY-ZWNOBZJWSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613870 663688980 /nfs/dbraw/zinc/68/89/80/663688980.db2.gz LXEQFOQNNALINY-ZWNOBZJWSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613867 663689053 /nfs/dbraw/zinc/68/90/53/663689053.db2.gz LXEQFOQNNALINY-GWCFXTLKSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613867 663689055 /nfs/dbraw/zinc/68/90/55/663689055.db2.gz LXEQFOQNNALINY-GWCFXTLKSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613968 663689222 /nfs/dbraw/zinc/68/92/22/663689222.db2.gz MZIDACLFDDWMBM-MWLCHTKSSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613968 663689225 /nfs/dbraw/zinc/68/92/25/663689225.db2.gz MZIDACLFDDWMBM-MWLCHTKSSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035614229 663689266 /nfs/dbraw/zinc/68/92/66/663689266.db2.gz PAKHAUUBRYAKNX-MNOVXSKESA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035614229 663689270 /nfs/dbraw/zinc/68/92/70/663689270.db2.gz PAKHAUUBRYAKNX-MNOVXSKESA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615455 663689588 /nfs/dbraw/zinc/68/95/88/663689588.db2.gz ZKAZOBSZQZDBPH-QWRGUYRKSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCF)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615455 663689589 /nfs/dbraw/zinc/68/95/89/663689589.db2.gz ZKAZOBSZQZDBPH-QWRGUYRKSA-N 1 1 323.390 -1.145 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035646230 663689712 /nfs/dbraw/zinc/68/97/12/663689712.db2.gz YCHLHMXXYHLDRK-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645673 663689820 /nfs/dbraw/zinc/68/98/20/663689820.db2.gz IIZUNJOXJDGTAA-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035770893 663690026 /nfs/dbraw/zinc/69/00/26/663690026.db2.gz LAEOUHLBPXQWHF-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC001035764729 663690068 /nfs/dbraw/zinc/69/00/68/663690068.db2.gz KRAIANAFPBFNRK-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035779957 663690187 /nfs/dbraw/zinc/69/01/87/663690187.db2.gz UNFYGOZLSDJNLF-UWVGGRQHSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC001035768685 663690242 /nfs/dbraw/zinc/69/02/42/663690242.db2.gz LDEFYXYXTSCHMZ-GHMZBOCLSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035764545 663690251 /nfs/dbraw/zinc/69/02/51/663690251.db2.gz IDEVOODOIZPALU-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC001035764728 663690274 /nfs/dbraw/zinc/69/02/74/663690274.db2.gz KRAIANAFPBFNRK-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035770892 663690282 /nfs/dbraw/zinc/69/02/82/663690282.db2.gz LAEOUHLBPXQWHF-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782240 663690292 /nfs/dbraw/zinc/69/02/92/663690292.db2.gz OTXLFOWXZJRTTF-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035769630 663690309 /nfs/dbraw/zinc/69/03/09/663690309.db2.gz IOYQFQOWQJVHSR-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035764546 663690347 /nfs/dbraw/zinc/69/03/47/663690347.db2.gz IDEVOODOIZPALU-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC001035764726 663690366 /nfs/dbraw/zinc/69/03/66/663690366.db2.gz KPYOFQHWHHTEGR-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036018650 663691137 /nfs/dbraw/zinc/69/11/37/663691137.db2.gz AFTHOOJUKPTLMI-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036020843 663691189 /nfs/dbraw/zinc/69/11/89/663691189.db2.gz KZTKAGOWRBMWAV-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036132947 663691946 /nfs/dbraw/zinc/69/19/46/663691946.db2.gz OZLZOBZNZKWLGM-BDAKNGLRSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036221439 663692265 /nfs/dbraw/zinc/69/22/65/663692265.db2.gz SUMKOIISNFUKED-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036284833 663692325 /nfs/dbraw/zinc/69/23/25/663692325.db2.gz HHNYRHNGONOJAH-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1C[NH2+]Cc1nnnn1C ZINC001036527599 663692586 /nfs/dbraw/zinc/69/25/86/663692586.db2.gz GUDMAPYQJGQQKA-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001005804567 663692609 /nfs/dbraw/zinc/69/26/09/663692609.db2.gz LVRGIKUWQPOYHP-CMPLNLGQSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001005804578 663692761 /nfs/dbraw/zinc/69/27/61/663692761.db2.gz LVRGIKUWQPOYHP-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000922910877 663693048 /nfs/dbraw/zinc/69/30/48/663693048.db2.gz TVRZKKHGLWXZCX-WDEREUQCSA-N 1 1 317.415 -1.376 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812225 663693116 /nfs/dbraw/zinc/69/31/16/663693116.db2.gz QVNDVZFLHATMOK-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812225 663693119 /nfs/dbraw/zinc/69/31/19/663693119.db2.gz QVNDVZFLHATMOK-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001036640701 663693134 /nfs/dbraw/zinc/69/31/34/663693134.db2.gz OEQLZGVNOVZUJJ-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001036640702 663693232 /nfs/dbraw/zinc/69/32/32/663693232.db2.gz OEQLZGVNOVZUJJ-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001005808871 663693332 /nfs/dbraw/zinc/69/33/32/663693332.db2.gz CRFXJWCRNCKUMY-GXSJLCMTSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005820313 663693550 /nfs/dbraw/zinc/69/35/50/663693550.db2.gz FTBPOPORLLNTJC-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671728 663693603 /nfs/dbraw/zinc/69/36/03/663693603.db2.gz OOFLNUVCYBTKKD-UWVGGRQHSA-N 1 1 307.358 -1.492 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671728 663693605 /nfs/dbraw/zinc/69/36/05/663693605.db2.gz OOFLNUVCYBTKKD-UWVGGRQHSA-N 1 1 307.358 -1.492 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)CC[C@@H]2C1 ZINC000946831186 663693750 /nfs/dbraw/zinc/69/37/50/663693750.db2.gz MKBHWIVDTKCRIO-TXEJJXNPSA-N 1 1 321.385 -1.281 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671729 663693806 /nfs/dbraw/zinc/69/38/06/663693806.db2.gz OOFLNUVCYBTKKD-VHSXEESVSA-N 1 1 307.358 -1.492 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671729 663693809 /nfs/dbraw/zinc/69/38/09/663693809.db2.gz OOFLNUVCYBTKKD-VHSXEESVSA-N 1 1 307.358 -1.492 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671730 663693827 /nfs/dbraw/zinc/69/38/27/663693827.db2.gz OOFLNUVCYBTKKD-ZJUUUORDSA-N 1 1 307.358 -1.492 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671730 663693829 /nfs/dbraw/zinc/69/38/29/663693829.db2.gz OOFLNUVCYBTKKD-ZJUUUORDSA-N 1 1 307.358 -1.492 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852431 663694031 /nfs/dbraw/zinc/69/40/31/663694031.db2.gz MREVHQWXWZBNFP-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852431 663694032 /nfs/dbraw/zinc/69/40/32/663694032.db2.gz MREVHQWXWZBNFP-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)c2nnn(C)n2)CC1 ZINC001005833522 663694087 /nfs/dbraw/zinc/69/40/87/663694087.db2.gz JNFMYFFDTGCOFX-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nc1=O ZINC001036672440 663694097 /nfs/dbraw/zinc/69/40/97/663694097.db2.gz AOPXHAFPKWAJMC-UWVGGRQHSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@@H]32)nc1=O ZINC001036672440 663694099 /nfs/dbraw/zinc/69/40/99/663694099.db2.gz AOPXHAFPKWAJMC-UWVGGRQHSA-N 1 1 322.369 -1.593 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036672485 663694142 /nfs/dbraw/zinc/69/41/42/663694142.db2.gz BGNJMRZDNYPETH-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036673018 663694330 /nfs/dbraw/zinc/69/43/30/663694330.db2.gz JTBLZVMEULGOKR-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005906492 663694641 /nfs/dbraw/zinc/69/46/41/663694641.db2.gz NYTOTRFKXFFHHY-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001005914064 663694900 /nfs/dbraw/zinc/69/49/00/663694900.db2.gz PQDDKAUOIRATII-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)C1 ZINC001036699233 663695585 /nfs/dbraw/zinc/69/55/85/663695585.db2.gz LVNKMYVMHJKDKX-WCQYABFASA-N 1 1 308.382 -1.127 20 0 DAADMO O=S(=O)(C1CN(CCO[C@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000923436037 663697023 /nfs/dbraw/zinc/69/70/23/663697023.db2.gz BHUGOYSPJJLRTI-LBPRGKRZSA-N 1 1 319.427 -1.289 20 0 DAADMO CC[C@@H](C)NC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433729 663697211 /nfs/dbraw/zinc/69/72/11/663697211.db2.gz VFLLBPVEQOVDSL-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923431070 663697312 /nfs/dbraw/zinc/69/73/12/663697312.db2.gz QCLFDAHOHHIDTQ-JTQLQIEISA-N 1 1 316.427 -1.427 20 0 DAADMO CCOC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437040 663697562 /nfs/dbraw/zinc/69/75/62/663697562.db2.gz MPESAHPBFMJQKJ-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO CN1CCC[C@@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437288 663697657 /nfs/dbraw/zinc/69/76/57/663697657.db2.gz QJVAVQKBMKYKHJ-GFCCVEGCSA-N 1 1 316.427 -1.474 20 0 DAADMO CN1CCC[C@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437289 663697774 /nfs/dbraw/zinc/69/77/74/663697774.db2.gz QJVAVQKBMKYKHJ-LBPRGKRZSA-N 1 1 316.427 -1.474 20 0 DAADMO CCn1ncnc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437411 663697793 /nfs/dbraw/zinc/69/77/93/663697793.db2.gz SUCUMVLKLADTPG-UHFFFAOYSA-N 1 1 314.415 -1.283 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001006137015 663698188 /nfs/dbraw/zinc/69/81/88/663698188.db2.gz SKBUPANJSWGUBA-SECBINFHSA-N 1 1 324.381 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190450 663698922 /nfs/dbraw/zinc/69/89/22/663698922.db2.gz YJXJWBRHDKEEDX-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190450 663698924 /nfs/dbraw/zinc/69/89/24/663698924.db2.gz YJXJWBRHDKEEDX-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190460 663699152 /nfs/dbraw/zinc/69/91/52/663699152.db2.gz YJXJWBRHDKEEDX-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190460 663699153 /nfs/dbraw/zinc/69/91/53/663699153.db2.gz YJXJWBRHDKEEDX-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)n1 ZINC001006323832 663700297 /nfs/dbraw/zinc/70/02/97/663700297.db2.gz SSYLIPAGQRPLBF-UHFFFAOYSA-N 1 1 321.381 -1.040 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000804899697 663797169 /nfs/dbraw/zinc/79/71/69/663797169.db2.gz SJWAMHPODYRTFM-MQJDWESPSA-N 1 1 319.427 -1.292 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000746277227 663798481 /nfs/dbraw/zinc/79/84/81/663798481.db2.gz HOKSQUCZSAUAKS-LLVKDONJSA-N 1 1 313.354 -1.449 20 0 DAADMO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000746277227 663798482 /nfs/dbraw/zinc/79/84/82/663798482.db2.gz HOKSQUCZSAUAKS-LLVKDONJSA-N 1 1 313.354 -1.449 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1nc2n(n1)CCCN2 ZINC000748043670 663799680 /nfs/dbraw/zinc/79/96/80/663799680.db2.gz XDQAHDYWXILVME-QWRGUYRKSA-N 1 1 306.370 -1.056 20 0 DAADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[NH+]1CCOCC1 ZINC000751320892 663802604 /nfs/dbraw/zinc/80/26/04/663802604.db2.gz BXZZXDVCUJNMGW-LLVKDONJSA-N 1 1 313.354 -1.401 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+](CCO)CCN2CCOCC2)CCO1 ZINC000754835854 663804797 /nfs/dbraw/zinc/80/47/97/663804797.db2.gz SNEOXZACABEGIH-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+](CCO)CCN2CCOCC2)CCO1 ZINC000754835854 663804800 /nfs/dbraw/zinc/80/48/00/663804800.db2.gz SNEOXZACABEGIH-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[S@@](C)=O)CC2)C1 ZINC000754301744 663805030 /nfs/dbraw/zinc/80/50/30/663805030.db2.gz QGJMTVRKBNKHJG-FKIZINRSSA-N 1 1 303.428 -1.160 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[S@@](C)=O)CC2)C1 ZINC000754301753 663805227 /nfs/dbraw/zinc/80/52/27/663805227.db2.gz QGJMTVRKBNKHJG-MPBGBICISA-N 1 1 303.428 -1.160 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[S@@](C)=O)CC2)C1 ZINC000754301753 663805229 /nfs/dbraw/zinc/80/52/29/663805229.db2.gz QGJMTVRKBNKHJG-MPBGBICISA-N 1 1 303.428 -1.160 20 0 DAADMO COC(=O)N[C@@H](C)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000762202332 663810469 /nfs/dbraw/zinc/81/04/69/663810469.db2.gz MJKUSPIZILHRTO-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@@H+]1C ZINC000761745993 663810843 /nfs/dbraw/zinc/81/08/43/663810843.db2.gz ILPVKOAAUKYJRF-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000761745993 663810845 /nfs/dbraw/zinc/81/08/45/663810845.db2.gz ILPVKOAAUKYJRF-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NN(C)C(=O)CC1 ZINC000761969395 663810866 /nfs/dbraw/zinc/81/08/66/663810866.db2.gz GEBJXOGLXZSDOE-UHFFFAOYSA-N 1 1 309.370 -1.173 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000765491787 663812947 /nfs/dbraw/zinc/81/29/47/663812947.db2.gz PVFKTQFIQRIMIR-NSHDSACASA-N 1 1 311.386 -1.681 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)NCCS(=O)(=O)CC ZINC000774428355 663820935 /nfs/dbraw/zinc/82/09/35/663820935.db2.gz CFPUWTQQAZBTHL-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[N@@H+]1CCO ZINC000777500110 663822299 /nfs/dbraw/zinc/82/22/99/663822299.db2.gz WJQLOLXHQPDJQM-JTQLQIEISA-N 1 1 324.472 -1.592 20 0 DAADMO C[C@H]1CN(C(=S)NCCNS(C)(=O)=O)CC[N@H+]1CCO ZINC000777500110 663822300 /nfs/dbraw/zinc/82/23/00/663822300.db2.gz WJQLOLXHQPDJQM-JTQLQIEISA-N 1 1 324.472 -1.592 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000805620852 663824241 /nfs/dbraw/zinc/82/42/41/663824241.db2.gz HDZBOOLLGCPCNK-BJFPOWJFSA-N 1 1 319.427 -1.294 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000805620852 663824242 /nfs/dbraw/zinc/82/42/42/663824242.db2.gz HDZBOOLLGCPCNK-BJFPOWJFSA-N 1 1 319.427 -1.294 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000780523217 663824583 /nfs/dbraw/zinc/82/45/83/663824583.db2.gz OXCCKHIXRJCBEM-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(=O)n(C)c1=O ZINC000781678845 663825686 /nfs/dbraw/zinc/82/56/86/663825686.db2.gz BFBAXAXMSLSJQN-UHFFFAOYSA-N 1 1 324.381 -1.387 20 0 DAADMO CS(=O)(=O)NCCNC(=S)NCC[N@H+]1CCCOCC1 ZINC000782209986 663825983 /nfs/dbraw/zinc/82/59/83/663825983.db2.gz FTZBLKFKJVIRSG-UHFFFAOYSA-N 1 1 324.472 -1.278 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782609861 663826604 /nfs/dbraw/zinc/82/66/04/663826604.db2.gz RZQKVIZNZZQFLK-CJNGLKHVSA-N 1 1 324.425 -1.467 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)S(C)(=O)=O ZINC000782626389 663827175 /nfs/dbraw/zinc/82/71/75/663827175.db2.gz XJWFLSUGLURTPU-WCQYABFASA-N 1 1 319.427 -1.302 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1)S(C)(=O)=O ZINC000782626389 663827176 /nfs/dbraw/zinc/82/71/76/663827176.db2.gz XJWFLSUGLURTPU-WCQYABFASA-N 1 1 319.427 -1.302 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NCC[N@H+]1CCCOCC1 ZINC000783841540 663827833 /nfs/dbraw/zinc/82/78/33/663827833.db2.gz HVOHKSQTEWABRB-UHFFFAOYSA-N 1 1 310.354 -1.235 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000788384128 663831500 /nfs/dbraw/zinc/83/15/00/663831500.db2.gz HERYKTGFSURKHO-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC000790154881 663832958 /nfs/dbraw/zinc/83/29/58/663832958.db2.gz YGYRFUIBIUTREB-SNVBAGLBSA-N 1 1 324.389 -1.266 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036724134 663841438 /nfs/dbraw/zinc/84/14/38/663841438.db2.gz ALRBLJQPZJPPAO-ZYHUDNBSSA-N 1 1 302.396 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3nccn3)CC[C@H]21 ZINC001036727460 663841447 /nfs/dbraw/zinc/84/14/47/663841447.db2.gz DMGHNOZQQQUOQL-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)cc1=O ZINC001036740052 663841457 /nfs/dbraw/zinc/84/14/57/663841457.db2.gz LWYCSWGJWLLPNU-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)CC[C@H]21 ZINC001036738714 663841534 /nfs/dbraw/zinc/84/15/34/663841534.db2.gz MJCBEMVUZSDVHJ-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)CC1=O ZINC001036752063 663841589 /nfs/dbraw/zinc/84/15/89/663841589.db2.gz QVNVUKFYEBIYSB-KBPBESRZSA-N 1 1 324.425 -1.325 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)n1 ZINC001036719450 663841652 /nfs/dbraw/zinc/84/16/52/663841652.db2.gz FBKLNDICUYPHKX-WDEREUQCSA-N 1 1 322.369 -1.708 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036716421 663841701 /nfs/dbraw/zinc/84/17/01/663841701.db2.gz FUCXTLSTKOTRKV-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036724132 663841704 /nfs/dbraw/zinc/84/17/04/663841704.db2.gz ALRBLJQPZJPPAO-JQWIXIFHSA-N 1 1 302.396 -1.054 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)c1=O ZINC001036778471 663841942 /nfs/dbraw/zinc/84/19/42/663841942.db2.gz SYHZGUHWQZLSSA-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)c1=O ZINC001036753427 663841988 /nfs/dbraw/zinc/84/19/88/663841988.db2.gz QFYCSVRHVVJKPZ-NEPJUHHUSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001036793320 663842031 /nfs/dbraw/zinc/84/20/31/663842031.db2.gz CIXVBDHXXROVMW-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCN2C(=O)CCC2=O)C1 ZINC001036807524 663842092 /nfs/dbraw/zinc/84/20/92/663842092.db2.gz DNXBKDSIDPNMBO-MNOVXSKESA-N 1 1 322.365 -1.457 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CC[C@H]21 ZINC001036806895 663842158 /nfs/dbraw/zinc/84/21/58/663842158.db2.gz VHOAPEWHOZVNSZ-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)nc1=O ZINC001036806684 663842174 /nfs/dbraw/zinc/84/21/74/663842174.db2.gz SGCLJHKBBGPVEB-DTWKUNHWSA-N 1 1 308.342 -1.984 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3CN(C(=O)C(N)=O)CC[C@H]32)nc1=O ZINC001036806684 663842177 /nfs/dbraw/zinc/84/21/77/663842177.db2.gz SGCLJHKBBGPVEB-DTWKUNHWSA-N 1 1 308.342 -1.984 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036792433 663842299 /nfs/dbraw/zinc/84/22/99/663842299.db2.gz PBMGMQGLRNLHCC-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)c1=O ZINC001036778474 663842337 /nfs/dbraw/zinc/84/23/37/663842337.db2.gz SYHZGUHWQZLSSA-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036805834 663842563 /nfs/dbraw/zinc/84/25/63/663842563.db2.gz FXOZCWSRVROICI-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036806208 663842697 /nfs/dbraw/zinc/84/26/97/663842697.db2.gz LLWQECBXFDHGNA-MNOVXSKESA-N 1 1 309.370 -1.580 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805953 663842813 /nfs/dbraw/zinc/84/28/13/663842813.db2.gz IBLKOVZNMATTQJ-VHSXEESVSA-N 1 1 303.384 -1.561 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)C1=O ZINC001036868875 663842920 /nfs/dbraw/zinc/84/29/20/663842920.db2.gz UYRZHMSCULQTDY-NEPJUHHUSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036844470 663842979 /nfs/dbraw/zinc/84/29/79/663842979.db2.gz WIKHWJVJJAAUMF-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036843144 663842992 /nfs/dbraw/zinc/84/29/92/663842992.db2.gz ANJDYIAOFISNTP-MNOVXSKESA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036844469 663843003 /nfs/dbraw/zinc/84/30/03/663843003.db2.gz WIKHWJVJJAAUMF-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)C1=O ZINC001036868876 663843043 /nfs/dbraw/zinc/84/30/43/663843043.db2.gz UYRZHMSCULQTDY-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 ZINC001036890217 663843252 /nfs/dbraw/zinc/84/32/52/663843252.db2.gz OXVYJJSYKUEIOE-QWRGUYRKSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 ZINC001036890215 663843763 /nfs/dbraw/zinc/84/37/63/663843763.db2.gz OXVYJJSYKUEIOE-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036888239 663844022 /nfs/dbraw/zinc/84/40/22/663844022.db2.gz FVQKASQLAUJWQZ-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]1CO ZINC000804052864 663844178 /nfs/dbraw/zinc/84/41/78/663844178.db2.gz GUOUKDPBNLHKOQ-YNEHKIRRSA-N 1 1 311.382 -1.051 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)nn1 ZINC001036903090 663844202 /nfs/dbraw/zinc/84/42/02/663844202.db2.gz VIOOGRVNMGAVEI-ZYHUDNBSSA-N 1 1 322.369 -1.708 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000804030795 663844239 /nfs/dbraw/zinc/84/42/39/663844239.db2.gz NFGJVWWAJAILMH-JTQLQIEISA-N 1 1 307.354 -1.003 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)C1=O ZINC001036888766 663844273 /nfs/dbraw/zinc/84/42/73/663844273.db2.gz OVLJPLNQVVMOCE-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036888241 663844449 /nfs/dbraw/zinc/84/44/49/663844449.db2.gz FVQKASQLAUJWQZ-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNC(=O)C1 ZINC000804056570 663845132 /nfs/dbraw/zinc/84/51/32/663845132.db2.gz RUQVGXOIGUEITG-QWRGUYRKSA-N 1 1 310.354 -2.076 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061932 663845151 /nfs/dbraw/zinc/84/51/51/663845151.db2.gz XWNWKGKGPDCHJC-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1=O ZINC000812320210 663850009 /nfs/dbraw/zinc/85/00/09/663850009.db2.gz CGPYUDZSZOFVSW-NEPJUHHUSA-N 1 1 306.366 -1.043 20 0 DAADMO Cn1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(=O)n(C)c1=O ZINC000818586432 663855371 /nfs/dbraw/zinc/85/53/71/663855371.db2.gz XSWLUFLSMZHFEL-MRVPVSSYSA-N 1 1 302.281 -1.237 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1=NN(CCO)C(=O)CC1 ZINC000819687994 663856797 /nfs/dbraw/zinc/85/67/97/663856797.db2.gz CUFFWBIQUURUME-LBPRGKRZSA-N 1 1 323.397 -1.537 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000820263652 663857329 /nfs/dbraw/zinc/85/73/29/663857329.db2.gz GRHZYUHDALUZJY-MXWKQRLJSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000820341538 663857969 /nfs/dbraw/zinc/85/79/69/663857969.db2.gz FMCWPHQBOBKLMC-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO COC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CS(=O)(=O)C1 ZINC000820989870 663859282 /nfs/dbraw/zinc/85/92/82/663859282.db2.gz CUHGJTCIPZAUEE-NSHDSACASA-N 1 1 320.411 -1.237 20 0 DAADMO COC1(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CS(=O)(=O)C1 ZINC000820989870 663859284 /nfs/dbraw/zinc/85/92/84/663859284.db2.gz CUHGJTCIPZAUEE-NSHDSACASA-N 1 1 320.411 -1.237 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000822158161 663860588 /nfs/dbraw/zinc/86/05/88/663860588.db2.gz GGFNGNYMQBMCTR-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000822158161 663860589 /nfs/dbraw/zinc/86/05/89/663860589.db2.gz GGFNGNYMQBMCTR-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO COC1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CS(=O)(=O)C1 ZINC000822994137 663861446 /nfs/dbraw/zinc/86/14/46/663861446.db2.gz XDEHPAAECPHQAT-NSHDSACASA-N 1 1 320.411 -1.237 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000823133895 663862305 /nfs/dbraw/zinc/86/23/05/663862305.db2.gz RMXFIDPEIGXYFB-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000823133895 663862308 /nfs/dbraw/zinc/86/23/08/663862308.db2.gz RMXFIDPEIGXYFB-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000823132744 663862639 /nfs/dbraw/zinc/86/26/39/663862639.db2.gz HRRNZFFQWIRLSI-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000823132743 663862778 /nfs/dbraw/zinc/86/27/78/663862778.db2.gz HRRNZFFQWIRLSI-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000824771878 663863223 /nfs/dbraw/zinc/86/32/23/663863223.db2.gz GKNYKENGTLYROD-ZJUUUORDSA-N 1 1 317.411 -1.111 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H]1O ZINC000824068632 663863268 /nfs/dbraw/zinc/86/32/68/663863268.db2.gz BNGWDEQULRSQBZ-STQMWFEESA-N 1 1 313.398 -1.041 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000824740532 663863561 /nfs/dbraw/zinc/86/35/61/663863561.db2.gz HBQWGRXJKNLPSD-ODXJTPSBSA-N 1 1 312.366 -1.621 20 0 DAADMO CCOC(=O)C[C@@H](O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825293337 663863807 /nfs/dbraw/zinc/86/38/07/663863807.db2.gz QEWFGRUPVHOKBV-LLVKDONJSA-N 1 1 315.370 -1.467 20 0 DAADMO C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC000825298238 663863940 /nfs/dbraw/zinc/86/39/40/663863940.db2.gz MGLDBWPIJXBIML-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@H+](CC)C1 ZINC000825019203 663864426 /nfs/dbraw/zinc/86/44/26/663864426.db2.gz XUUQUTFMTBDTPG-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@@H+](CC)C1 ZINC000825019203 663864428 /nfs/dbraw/zinc/86/44/28/663864428.db2.gz XUUQUTFMTBDTPG-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)c1=O ZINC000826708920 663867084 /nfs/dbraw/zinc/86/70/84/663867084.db2.gz ZPQOPIRWVPNEQF-LLVKDONJSA-N 1 1 323.349 -1.230 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1=O ZINC000826708920 663867087 /nfs/dbraw/zinc/86/70/87/663867087.db2.gz ZPQOPIRWVPNEQF-LLVKDONJSA-N 1 1 323.349 -1.230 20 0 DAADMO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000827191490 663867621 /nfs/dbraw/zinc/86/76/21/663867621.db2.gz DVBOGRAJERKUSI-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000827318083 663867944 /nfs/dbraw/zinc/86/79/44/663867944.db2.gz DRNAXDVLZBVMQC-VHSXEESVSA-N 1 1 308.338 -1.040 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827257356 663867964 /nfs/dbraw/zinc/86/79/64/663867964.db2.gz ZVKCNOMRVBXAKM-GHMZBOCLSA-N 1 1 304.416 -1.065 20 0 DAADMO COC1(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CS(=O)(=O)C1 ZINC000827836701 663868402 /nfs/dbraw/zinc/86/84/02/663868402.db2.gz LEDIJDAUSMHZTA-JTQLQIEISA-N 1 1 320.411 -1.239 20 0 DAADMO COC1(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CS(=O)(=O)C1 ZINC000827836701 663868403 /nfs/dbraw/zinc/86/84/03/663868403.db2.gz LEDIJDAUSMHZTA-JTQLQIEISA-N 1 1 320.411 -1.239 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1CO ZINC000827983603 663868416 /nfs/dbraw/zinc/86/84/16/663868416.db2.gz OGMUVXKBOWSPRT-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C[C@H]1CO ZINC000827983603 663868417 /nfs/dbraw/zinc/86/84/17/663868417.db2.gz OGMUVXKBOWSPRT-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000828958248 663870325 /nfs/dbraw/zinc/87/03/25/663870325.db2.gz BIVATKNKZXTXPP-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829569278 663870966 /nfs/dbraw/zinc/87/09/66/663870966.db2.gz BYMZOXKUZNBOPD-AXFHLTTASA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000829569278 663870967 /nfs/dbraw/zinc/87/09/67/663870967.db2.gz BYMZOXKUZNBOPD-AXFHLTTASA-N 1 1 315.395 -1.405 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN([S@@](C)(=N)=O)CC2)CC1 ZINC000832184382 663873495 /nfs/dbraw/zinc/87/34/95/663873495.db2.gz UOONKWNHRQLXJX-HXUWFJFHSA-N 1 1 303.432 -1.030 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000834692092 663875652 /nfs/dbraw/zinc/87/56/52/663875652.db2.gz ZQFOCOUCMFXIAA-GRYCIOLGSA-N 1 1 324.381 -1.388 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000836205843 663876232 /nfs/dbraw/zinc/87/62/32/663876232.db2.gz UGPLWJWNGLBSLP-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164741 663877289 /nfs/dbraw/zinc/87/72/89/663877289.db2.gz NZJATXPEHKTLQH-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164741 663877290 /nfs/dbraw/zinc/87/72/90/663877290.db2.gz NZJATXPEHKTLQH-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)S1(=O)=O ZINC000843777729 663879238 /nfs/dbraw/zinc/87/92/38/663879238.db2.gz BLXZOMACLNFVAO-SDDRHHMPSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867424993 663887218 /nfs/dbraw/zinc/88/72/18/663887218.db2.gz ZILWUGJOKBPWRT-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846633981 663888042 /nfs/dbraw/zinc/88/80/42/663888042.db2.gz XDPSROXLPDHJSX-ZJUUUORDSA-N 1 1 306.388 -1.980 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000846739348 663889022 /nfs/dbraw/zinc/88/90/22/663889022.db2.gz YEVGZABXZGGPGK-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO CCS(=O)(=O)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847143046 663889037 /nfs/dbraw/zinc/88/90/37/663889037.db2.gz CRWRAMPZLNIYDM-WDEREUQCSA-N 1 1 305.400 -1.119 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847314517 663889425 /nfs/dbraw/zinc/88/94/25/663889425.db2.gz OLFQXESGBSYBMK-WDEREUQCSA-N 1 1 320.415 -1.614 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847937889 663890983 /nfs/dbraw/zinc/89/09/83/663890983.db2.gz CERBZTCYBKMEFB-UHFFFAOYSA-N 1 1 318.337 -1.001 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306066 663891557 /nfs/dbraw/zinc/89/15/57/663891557.db2.gz LZHPJCDHVPPTJK-WDEREUQCSA-N 1 1 310.354 -1.766 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848637604 663892222 /nfs/dbraw/zinc/89/22/22/663892222.db2.gz RNGSABVDBVKCCB-WOSRLPQWSA-N 1 1 322.409 -1.382 20 0 DAADMO O[C@@H]1C[C@H]2CN(C(=S)NCCN3CCOCC3)CC[N@H+]2C1 ZINC000848650135 663892546 /nfs/dbraw/zinc/89/25/46/663892546.db2.gz KGFCXTUBJFBHQC-QWHCGFSZSA-N 1 1 314.455 -1.056 20 0 DAADMO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848634505 663892632 /nfs/dbraw/zinc/89/26/32/663892632.db2.gz MLBLBSMAKMCHNC-GRYCIOLGSA-N 1 1 324.381 -2.047 20 0 DAADMO NC(=O)[C@@](O)(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000851881400 663897254 /nfs/dbraw/zinc/89/72/54/663897254.db2.gz LDVZRVKVPYPLTC-IAQYHMDHSA-N 1 1 318.333 -1.405 20 0 DAADMO NC(=O)[C@@](O)(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000851881400 663897257 /nfs/dbraw/zinc/89/72/57/663897257.db2.gz LDVZRVKVPYPLTC-IAQYHMDHSA-N 1 1 318.333 -1.405 20 0 DAADMO NC(=O)C[C@H]1COCC[N@@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000852149457 663897639 /nfs/dbraw/zinc/89/76/39/663897639.db2.gz QFNBOFXKISYSHW-SWLSCSKDSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@H]1COCC[N@H+]1C[C@](O)(C(N)=O)c1ccccc1 ZINC000852149457 663897641 /nfs/dbraw/zinc/89/76/41/663897641.db2.gz QFNBOFXKISYSHW-SWLSCSKDSA-N 1 1 307.350 -1.064 20 0 DAADMO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)=NO1 ZINC000852793458 663898348 /nfs/dbraw/zinc/89/83/48/663898348.db2.gz BJBDOQJPIOCNDI-RYUDHWBXSA-N 1 1 323.397 -1.240 20 0 DAADMO [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)=NO1 ZINC000852793456 663898442 /nfs/dbraw/zinc/89/84/42/663898442.db2.gz BJBDOQJPIOCNDI-NEPJUHHUSA-N 1 1 323.397 -1.240 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854353701 663901756 /nfs/dbraw/zinc/90/17/56/663901756.db2.gz DCFLMKVLGYTATO-LBPRGKRZSA-N 1 1 321.381 -1.567 20 0 DAADMO Nc1nc(N)[nH+]c(NCCS(=O)(=O)N2CCOCC2)n1 ZINC000858376708 663910143 /nfs/dbraw/zinc/91/01/43/663910143.db2.gz PFMJBZPOHGZAEM-UHFFFAOYSA-N 1 1 303.348 -1.890 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000859449743 663912619 /nfs/dbraw/zinc/91/26/19/663912619.db2.gz HLNHLIDHXGYARD-QWRGUYRKSA-N 1 1 301.343 -1.676 20 0 DAADMO CC1=C(C(=O)NCC[N@H+]2CC[C@@H](O)C2)Cn2nnnc2N1C ZINC000863319404 663923281 /nfs/dbraw/zinc/92/32/81/663923281.db2.gz PFMZSUWNKQTZGE-SNVBAGLBSA-N 1 1 307.358 -1.420 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000863321866 663923293 /nfs/dbraw/zinc/92/32/93/663923293.db2.gz GWFXJNFLRYFIOG-ZYHUDNBSSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)C(=O)N1CCOCC1 ZINC000863507680 663924031 /nfs/dbraw/zinc/92/40/31/663924031.db2.gz AMPGPHWJYCLSGJ-SNVBAGLBSA-N 1 1 321.324 -1.337 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)C(=O)N1CCOCC1 ZINC000863507680 663924037 /nfs/dbraw/zinc/92/40/37/663924037.db2.gz AMPGPHWJYCLSGJ-SNVBAGLBSA-N 1 1 321.324 -1.337 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000863831273 663927083 /nfs/dbraw/zinc/92/70/83/663927083.db2.gz GWFXJNFLRYFIOG-PWSUYJOCSA-N 1 1 307.354 -1.055 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000864082529 663928204 /nfs/dbraw/zinc/92/82/04/663928204.db2.gz WALJAMHCOHAQAC-SWHYSGLUSA-N 1 1 313.354 -1.221 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000864076728 663928541 /nfs/dbraw/zinc/92/85/41/663928541.db2.gz DDJUANGSYBQSNN-CMPLNLGQSA-N 1 1 320.415 -1.952 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CCC1(C)C ZINC000867742050 663932624 /nfs/dbraw/zinc/93/26/24/663932624.db2.gz XZXBAEZMBOUURU-RYUDHWBXSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC(=O)N1 ZINC000867799843 663933508 /nfs/dbraw/zinc/93/35/08/663933508.db2.gz XUJLDWGSROBNSS-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000868217032 663933934 /nfs/dbraw/zinc/93/39/34/663933934.db2.gz NMKJQJMFPDLRAT-PHIMTYICSA-N 1 1 312.370 -1.179 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000868424035 663934834 /nfs/dbraw/zinc/93/48/34/663934834.db2.gz WHVNQFFXBDQDQQ-YFKTTZPYSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000868424035 663934837 /nfs/dbraw/zinc/93/48/37/663934837.db2.gz WHVNQFFXBDQDQQ-YFKTTZPYSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000868424033 663935199 /nfs/dbraw/zinc/93/51/99/663935199.db2.gz WHVNQFFXBDQDQQ-WYUUTHIRSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000868424033 663935200 /nfs/dbraw/zinc/93/52/00/663935200.db2.gz WHVNQFFXBDQDQQ-WYUUTHIRSA-N 1 1 324.381 -1.038 20 0 DAADMO CN(CCCN1CCN(C)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923611603 663935749 /nfs/dbraw/zinc/93/57/49/663935749.db2.gz CIAMAQLLJFVJQB-UHFFFAOYSA-N 1 1 319.475 -1.294 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)S1(=O)=O ZINC000869776796 663936523 /nfs/dbraw/zinc/93/65/23/663936523.db2.gz VSWKEQYYVPJJLC-WDEREUQCSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 ZINC000870067436 663936785 /nfs/dbraw/zinc/93/67/85/663936785.db2.gz NAHOTSMFFOONSH-ZIAGYGMSSA-N 1 1 313.398 -1.123 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 ZINC000870067436 663936787 /nfs/dbraw/zinc/93/67/87/663936787.db2.gz NAHOTSMFFOONSH-ZIAGYGMSSA-N 1 1 313.398 -1.123 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC000870357188 663936829 /nfs/dbraw/zinc/93/68/29/663936829.db2.gz MFGYLGVLRSHDJE-QWRGUYRKSA-N 1 1 315.370 -1.109 20 0 DAADMO O=C(NC[C@@]12COC(=O)N1CCOC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000871409854 663938339 /nfs/dbraw/zinc/93/83/39/663938339.db2.gz UEDZVAGMBVBLSJ-SWLSCSKDSA-N 1 1 324.381 -1.286 20 0 DAADMO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000872714027 663940148 /nfs/dbraw/zinc/94/01/48/663940148.db2.gz LAKZSBRRTPJBMD-BBBLOLIVSA-N 1 1 309.322 -1.488 20 0 DAADMO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000872714027 663940152 /nfs/dbraw/zinc/94/01/52/663940152.db2.gz LAKZSBRRTPJBMD-BBBLOLIVSA-N 1 1 309.322 -1.488 20 0 DAADMO COC(=O)[C@@H]1CN(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C(=O)O1 ZINC000872714338 663940353 /nfs/dbraw/zinc/94/03/53/663940353.db2.gz XQYPEYCPFOICIQ-YIZRAAEISA-N 1 1 311.294 -1.516 20 0 DAADMO COC(=O)[C@@H]1CN(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C(=O)O1 ZINC000872714338 663940356 /nfs/dbraw/zinc/94/03/56/663940356.db2.gz XQYPEYCPFOICIQ-YIZRAAEISA-N 1 1 311.294 -1.516 20 0 DAADMO CCCN1C(=O)C(=O)N(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714952 663940411 /nfs/dbraw/zinc/94/04/11/663940411.db2.gz VHKFNKMNMUIYHJ-DTORHVGOSA-N 1 1 322.321 -1.309 20 0 DAADMO CCCN1C(=O)C(=O)N(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714952 663940414 /nfs/dbraw/zinc/94/04/14/663940414.db2.gz VHKFNKMNMUIYHJ-DTORHVGOSA-N 1 1 322.321 -1.309 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000874981628 663942678 /nfs/dbraw/zinc/94/26/78/663942678.db2.gz QYOKBRGVLQIXTF-UHFFFAOYSA-N 1 1 301.343 -1.362 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000875271789 663943476 /nfs/dbraw/zinc/94/34/76/663943476.db2.gz OCKPSOSGSUAJJU-JTQLQIEISA-N 1 1 300.359 -1.839 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875545697 663943915 /nfs/dbraw/zinc/94/39/15/663943915.db2.gz FISCPFJKMMOOHN-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CNCCO1 ZINC000876743289 663947549 /nfs/dbraw/zinc/94/75/49/663947549.db2.gz BBLXGONGXQYYFK-NFAWXSAZSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CNCCO1 ZINC000876743289 663947555 /nfs/dbraw/zinc/94/75/55/663947555.db2.gz BBLXGONGXQYYFK-NFAWXSAZSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CNCCO1 ZINC000876743287 663947872 /nfs/dbraw/zinc/94/78/72/663947872.db2.gz BBLXGONGXQYYFK-GUTXKFCHSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CNCCO1 ZINC000876743287 663947876 /nfs/dbraw/zinc/94/78/76/663947876.db2.gz BBLXGONGXQYYFK-GUTXKFCHSA-N 1 1 313.398 -1.029 20 0 DAADMO COC[C@]1(C(=O)NCCN(C)CCC[NH+](C)C)CNCCO1 ZINC000876961729 663949548 /nfs/dbraw/zinc/94/95/48/663949548.db2.gz WKZSDRWHCFZVJN-HNNXBMFYSA-N 1 1 316.446 -1.009 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC[NH+](CCO)CC1 ZINC000878065339 663950789 /nfs/dbraw/zinc/95/07/89/663950789.db2.gz WOVNPDGVDRBSEC-UHFFFAOYSA-N 1 1 305.400 -1.452 20 0 DAADMO COC(=O)[C@H]1CN(Cc2nnc3c(=O)[nH]ccn23)CC[N@@H+](C)C1 ZINC000878707506 663952942 /nfs/dbraw/zinc/95/29/42/663952942.db2.gz FSTAIKMXGXUSBX-SNVBAGLBSA-N 1 1 320.353 -1.046 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717791 663954194 /nfs/dbraw/zinc/95/41/94/663954194.db2.gz HVLMSUWCBVXXPV-JQWIXIFHSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717791 663954203 /nfs/dbraw/zinc/95/42/03/663954203.db2.gz HVLMSUWCBVXXPV-JQWIXIFHSA-N 1 1 310.354 -1.092 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CCC(=O)N3CCN(C)CC3)C[C@H]2C1=O ZINC000879533134 663954575 /nfs/dbraw/zinc/95/45/75/663954575.db2.gz AJPBAFXGHWGKRQ-TXEJJXNPSA-N 1 1 308.382 -1.303 20 0 DAADMO CN1C(=O)[C@H]2CN(CC(=O)NC3CC[NH+](C)CC3)C[C@H]2C1=O ZINC000879536584 663954829 /nfs/dbraw/zinc/95/48/29/663954829.db2.gz NSNCVKAEADILAQ-TXEJJXNPSA-N 1 1 308.382 -1.257 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535663 663954899 /nfs/dbraw/zinc/95/48/99/663954899.db2.gz QPRODLKRPGWQIE-KXNHARMFSA-N 1 1 300.355 -1.055 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879725473 663955132 /nfs/dbraw/zinc/95/51/32/663955132.db2.gz NPESWJRUIMNYHJ-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C(=O)N(C)C ZINC000880071438 663955629 /nfs/dbraw/zinc/95/56/29/663955629.db2.gz ZOVFWURSPFHFAE-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726058 663955754 /nfs/dbraw/zinc/95/57/54/663955754.db2.gz TUPPMPLEEVRFOV-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726058 663955757 /nfs/dbraw/zinc/95/57/57/663955757.db2.gz TUPPMPLEEVRFOV-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000880558141 663956048 /nfs/dbraw/zinc/95/60/48/663956048.db2.gz KLNBEBKKMLTVBA-AWEZNQCLSA-N 1 1 313.354 -1.713 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000880558141 663956054 /nfs/dbraw/zinc/95/60/54/663956054.db2.gz KLNBEBKKMLTVBA-AWEZNQCLSA-N 1 1 313.354 -1.713 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880486461 663956304 /nfs/dbraw/zinc/95/63/04/663956304.db2.gz SAPLBVSPQQIOJR-CYBMUJFWSA-N 1 1 310.398 -1.549 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880486461 663956312 /nfs/dbraw/zinc/95/63/12/663956312.db2.gz SAPLBVSPQQIOJR-CYBMUJFWSA-N 1 1 310.398 -1.549 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880568265 663956430 /nfs/dbraw/zinc/95/64/30/663956430.db2.gz VPQCUBLLESUXQK-HZMBPMFUSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880568265 663956434 /nfs/dbraw/zinc/95/64/34/663956434.db2.gz VPQCUBLLESUXQK-HZMBPMFUSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880560855 663956468 /nfs/dbraw/zinc/95/64/68/663956468.db2.gz HLPGTUSVTSANGT-ZDUSSCGKSA-N 1 1 302.327 -1.382 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880486466 663956476 /nfs/dbraw/zinc/95/64/76/663956476.db2.gz SAPLBVSPQQIOJR-ZDUSSCGKSA-N 1 1 310.398 -1.549 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880486466 663956479 /nfs/dbraw/zinc/95/64/79/663956479.db2.gz SAPLBVSPQQIOJR-ZDUSSCGKSA-N 1 1 310.398 -1.549 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1)N1CCNC(=O)C1 ZINC000880589010 663956850 /nfs/dbraw/zinc/95/68/50/663956850.db2.gz ZYRCLMXDVXOBRB-LBPRGKRZSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCCC2)C1 ZINC000888866649 663957593 /nfs/dbraw/zinc/95/75/93/663957593.db2.gz JDRVZFWAPLTJCQ-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+](CCNS(=O)(=O)N1CCOCC1)CCOCCO ZINC000882755397 663960409 /nfs/dbraw/zinc/96/04/09/663960409.db2.gz KCPUFELOUWMPNX-UHFFFAOYSA-N 1 1 311.404 -1.906 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC[N@H+](C)CCOCCO)c1 ZINC000882755437 663960388 /nfs/dbraw/zinc/96/03/88/663960388.db2.gz LVKFHGWIXVYVOW-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC[N@@H+](C)CCOCCO)c1 ZINC000882755437 663960394 /nfs/dbraw/zinc/96/03/94/663960394.db2.gz LVKFHGWIXVYVOW-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC000882764487 663960522 /nfs/dbraw/zinc/96/05/22/663960522.db2.gz WLNJKFHUMVSOLJ-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC000882764487 663960524 /nfs/dbraw/zinc/96/05/24/663960524.db2.gz WLNJKFHUMVSOLJ-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)CC ZINC000882766096 663960562 /nfs/dbraw/zinc/96/05/62/663960562.db2.gz UVPUYTSDJZFVND-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)CC ZINC000882766096 663960564 /nfs/dbraw/zinc/96/05/64/663960564.db2.gz UVPUYTSDJZFVND-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO C[N@H+](CCNS(=O)(=O)C[C@H]1CCOC1)CCOCCO ZINC000882755191 663960965 /nfs/dbraw/zinc/96/09/65/663960965.db2.gz AOIZERAONVPEES-LBPRGKRZSA-N 1 1 310.416 -1.117 20 0 DAADMO C[N@@H+](CCNS(=O)(=O)C[C@H]1CCOC1)CCOCCO ZINC000882755191 663960966 /nfs/dbraw/zinc/96/09/66/663960966.db2.gz AOIZERAONVPEES-LBPRGKRZSA-N 1 1 310.416 -1.117 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)NCCNS(=O)(=O)N(C)C ZINC000883724521 663961547 /nfs/dbraw/zinc/96/15/47/663961547.db2.gz WZHRTFCQTYLNDM-JTQLQIEISA-N 1 1 307.420 -1.224 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883299483 663961635 /nfs/dbraw/zinc/96/16/35/663961635.db2.gz VPHVFDITQXQFIK-UHFFFAOYSA-N 1 1 312.374 -1.394 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000883797901 663962020 /nfs/dbraw/zinc/96/20/20/663962020.db2.gz OOLFKXYXPQXHEX-LLVKDONJSA-N 1 1 319.431 -1.130 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006377232 663962405 /nfs/dbraw/zinc/96/24/05/663962405.db2.gz KTNBRHITZQGJKZ-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000884344415 663964287 /nfs/dbraw/zinc/96/42/87/663964287.db2.gz FPWRHXNQNIJIIS-CMPLNLGQSA-N 1 1 317.411 -1.143 20 0 DAADMO COCC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000884430291 663964872 /nfs/dbraw/zinc/96/48/72/663964872.db2.gz LJDGANOMWSWDSR-LBPRGKRZSA-N 1 1 313.402 -1.480 20 0 DAADMO CCN(C(=O)C(=O)NCCN(C)CCOC)[C@H]1CC[NH2+]C1 ZINC000884562914 663964969 /nfs/dbraw/zinc/96/49/69/663964969.db2.gz OHBJLNRDAKTWEU-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884642677 663965769 /nfs/dbraw/zinc/96/57/69/663965769.db2.gz OQECINMKCWNCPJ-HEHGZKQESA-N 1 1 324.425 -1.109 20 0 DAADMO CO[C@@H](CS(=O)(=O)NCC[N@H+](C)CCO)[C@@H]1CCOC1 ZINC000885800984 663969699 /nfs/dbraw/zinc/96/96/99/663969699.db2.gz IODNSVUURCITNV-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO CO[C@@H](CS(=O)(=O)NCC[N@@H+](C)CCO)[C@@H]1CCOC1 ZINC000885800984 663969702 /nfs/dbraw/zinc/96/97/02/663969702.db2.gz IODNSVUURCITNV-NEPJUHHUSA-N 1 1 310.416 -1.119 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885892807 663969876 /nfs/dbraw/zinc/96/98/76/663969876.db2.gz DCNVCUXKJFDKCD-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000885805606 663969890 /nfs/dbraw/zinc/96/98/90/663969890.db2.gz VIJFHZFLGPXAPO-UHFFFAOYSA-N 1 1 323.415 -1.416 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000885805606 663969895 /nfs/dbraw/zinc/96/98/95/663969895.db2.gz VIJFHZFLGPXAPO-UHFFFAOYSA-N 1 1 323.415 -1.416 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886179979 663971139 /nfs/dbraw/zinc/97/11/39/663971139.db2.gz GRFDFCHFIMDGEH-QWRGUYRKSA-N 1 1 302.400 -1.311 20 0 DAADMO C[N@@H+](CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)C1CCC1 ZINC000886180095 663971161 /nfs/dbraw/zinc/97/11/61/663971161.db2.gz JJYMARXANWUBMT-LLVKDONJSA-N 1 1 302.400 -1.169 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886188768 663971375 /nfs/dbraw/zinc/97/13/75/663971375.db2.gz ABJNGQRGGKSWIA-MNOVXSKESA-N 1 1 302.400 -1.169 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000886187680 663971407 /nfs/dbraw/zinc/97/14/07/663971407.db2.gz ZJPMTZDNCPUSQK-LLVKDONJSA-N 1 1 302.400 -1.169 20 0 DAADMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886182620 663971514 /nfs/dbraw/zinc/97/15/14/663971514.db2.gz LFKDWWDLKHCTFF-NEPJUHHUSA-N 1 1 314.411 -1.026 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886188767 663971534 /nfs/dbraw/zinc/97/15/34/663971534.db2.gz ABJNGQRGGKSWIA-GHMZBOCLSA-N 1 1 302.400 -1.169 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189972 663972120 /nfs/dbraw/zinc/97/21/20/663972120.db2.gz XGKSYHUXLLYDHB-MNOVXSKESA-N 1 1 318.399 -1.932 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189972 663972122 /nfs/dbraw/zinc/97/21/22/663972122.db2.gz XGKSYHUXLLYDHB-MNOVXSKESA-N 1 1 318.399 -1.932 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189474 663972185 /nfs/dbraw/zinc/97/21/85/663972185.db2.gz NQPWOYYTIDVJQS-UWVGGRQHSA-N 1 1 304.372 -2.322 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189474 663972189 /nfs/dbraw/zinc/97/21/89/663972189.db2.gz NQPWOYYTIDVJQS-UWVGGRQHSA-N 1 1 304.372 -2.322 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CS(N)(=O)=O ZINC000887866175 663976490 /nfs/dbraw/zinc/97/64/90/663976490.db2.gz CZVOMWWUULPABM-OUAUKWLOSA-N 1 1 305.400 -1.300 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CS(N)(=O)=O ZINC000887866175 663976493 /nfs/dbraw/zinc/97/64/93/663976493.db2.gz CZVOMWWUULPABM-OUAUKWLOSA-N 1 1 305.400 -1.300 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000888041321 663976734 /nfs/dbraw/zinc/97/67/34/663976734.db2.gz CYYSYCJVLYPJNO-FIQHERPVSA-N 1 1 300.403 -1.114 20 0 DAADMO C[C@@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000888041321 663976736 /nfs/dbraw/zinc/97/67/36/663976736.db2.gz CYYSYCJVLYPJNO-FIQHERPVSA-N 1 1 300.403 -1.114 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1=O ZINC000887935400 663977109 /nfs/dbraw/zinc/97/71/09/663977109.db2.gz WAJYOLAVSVYMAA-ABAIWWIYSA-N 1 1 306.366 -1.043 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(=O)n1C ZINC000889752118 663977778 /nfs/dbraw/zinc/97/77/78/663977778.db2.gz WJYDKZYSWVLHGH-CHWSQXEVSA-N 1 1 323.397 -1.052 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770061 663977928 /nfs/dbraw/zinc/97/79/28/663977928.db2.gz PDPKXSRFBAFJFE-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775160 663978463 /nfs/dbraw/zinc/97/84/63/663978463.db2.gz LPUDPYGUZHELRY-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)S(C)(=O)=O ZINC000889776583 663978501 /nfs/dbraw/zinc/97/85/01/663978501.db2.gz SYRWMXKJIZVTNR-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)S(C)(=O)=O ZINC000889776584 663978600 /nfs/dbraw/zinc/97/86/00/663978600.db2.gz SYRWMXKJIZVTNR-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C1CC1)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923716223 663979893 /nfs/dbraw/zinc/97/98/93/663979893.db2.gz IBMAHEPOFLFNJB-ZJUUUORDSA-N 1 1 309.413 -1.604 20 0 DAADMO CC1=C(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)Cn2nnnc2N1C ZINC000924979193 663980542 /nfs/dbraw/zinc/98/05/42/663980542.db2.gz DOUWOHSYRZRJSC-ZJUUUORDSA-N 1 1 307.358 -1.422 20 0 DAADMO Cn1cc(/C=C/C(=O)NCC[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC000925013218 663980557 /nfs/dbraw/zinc/98/05/57/663980557.db2.gz KYILAYOIWROERF-SNAWJCMRSA-N 1 1 310.354 -1.863 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](O)CCCN3C2=O)CC1 ZINC000925277038 663980637 /nfs/dbraw/zinc/98/06/37/663980637.db2.gz APFLTBQHURCAKQ-DGCLKSJQSA-N 1 1 324.381 -1.062 20 0 DAADMO CC1=C(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)Cn2nnnc2N1C ZINC000924979190 663980704 /nfs/dbraw/zinc/98/07/04/663980704.db2.gz DOUWOHSYRZRJSC-VHSXEESVSA-N 1 1 307.358 -1.422 20 0 DAADMO CN(CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000925414689 663981040 /nfs/dbraw/zinc/98/10/40/663981040.db2.gz BBPIPGZOODUAKX-NEPJUHHUSA-N 1 1 313.402 -1.482 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000925422341 663981372 /nfs/dbraw/zinc/98/13/72/663981372.db2.gz XQUIZODRVIEKPI-DCAQKATOSA-N 1 1 301.366 -1.113 20 0 DAADMO CN(CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000925414695 663981571 /nfs/dbraw/zinc/98/15/71/663981571.db2.gz BBPIPGZOODUAKX-VXGBXAGGSA-N 1 1 313.402 -1.482 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947032433 663985261 /nfs/dbraw/zinc/98/52/61/663985261.db2.gz OJSUATSHQQBANG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947036269 663985649 /nfs/dbraw/zinc/98/56/49/663985649.db2.gz NVTQHOFXRXVYHQ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947035901 663986156 /nfs/dbraw/zinc/98/61/56/663986156.db2.gz IKCODYRSACBSCC-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cnnn1C ZINC000947035901 663986158 /nfs/dbraw/zinc/98/61/58/663986158.db2.gz IKCODYRSACBSCC-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000928453162 663986923 /nfs/dbraw/zinc/98/69/23/663986923.db2.gz IIJUGOIOUCEXFQ-KOLCDFICSA-N 1 1 315.399 -1.093 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929094636 663987298 /nfs/dbraw/zinc/98/72/98/663987298.db2.gz XMRFGVBJDODCGD-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@H](O)C1(O)CCOCC1 ZINC000929245839 663987538 /nfs/dbraw/zinc/98/75/38/663987538.db2.gz GCECLWAOCIUOEK-LBPRGKRZSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@H](O)C1(O)CCOCC1 ZINC000929245839 663987539 /nfs/dbraw/zinc/98/75/39/663987539.db2.gz GCECLWAOCIUOEK-LBPRGKRZSA-N 1 1 304.387 -1.027 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929246866 663987891 /nfs/dbraw/zinc/98/78/91/663987891.db2.gz VDBABSLYCFXTAC-LLVKDONJSA-N 1 1 307.416 -1.314 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929245869 663988117 /nfs/dbraw/zinc/98/81/17/663988117.db2.gz GPWHFAVTUFVBTG-TZMCWYRMSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929245869 663988121 /nfs/dbraw/zinc/98/81/21/663988121.db2.gz GPWHFAVTUFVBTG-TZMCWYRMSA-N 1 1 304.387 -1.027 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000929473151 663988173 /nfs/dbraw/zinc/98/81/73/663988173.db2.gz YRNKVRZMIAZZLF-AGIUHOORSA-N 1 1 322.427 -1.098 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929281339 663988217 /nfs/dbraw/zinc/98/82/17/663988217.db2.gz KHEPEABLZPIVPM-JSGCOSHPSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929281339 663988218 /nfs/dbraw/zinc/98/82/18/663988218.db2.gz KHEPEABLZPIVPM-JSGCOSHPSA-N 1 1 304.387 -1.075 20 0 DAADMO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)CC2 ZINC000929953024 663989374 /nfs/dbraw/zinc/98/93/74/663989374.db2.gz LFKUMYSYAWYPRJ-WDEREUQCSA-N 1 1 306.370 -1.162 20 0 DAADMO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)CC2 ZINC000929953024 663989377 /nfs/dbraw/zinc/98/93/77/663989377.db2.gz LFKUMYSYAWYPRJ-WDEREUQCSA-N 1 1 306.370 -1.162 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000930176512 663989612 /nfs/dbraw/zinc/98/96/12/663989612.db2.gz DXBYGKQLDDQBRE-UPJWGTAASA-N 1 1 322.427 -1.098 20 0 DAADMO C[C@]1(CC(=O)N2CC[NH+](CCO)CC2)CCS(=O)(=O)N1 ZINC000930034725 663989664 /nfs/dbraw/zinc/98/96/64/663989664.db2.gz DDHMWNJAPGGIQX-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000929983028 663989949 /nfs/dbraw/zinc/98/99/49/663989949.db2.gz UNXGLFZPFCBNDH-RYUDHWBXSA-N 1 1 322.427 -1.098 20 0 DAADMO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000930190401 663989974 /nfs/dbraw/zinc/98/99/74/663989974.db2.gz NZTZHEPCXGJQQM-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000930016339 663990162 /nfs/dbraw/zinc/99/01/62/663990162.db2.gz ALVSBZQZDOSOQY-RYUDHWBXSA-N 1 1 322.427 -1.098 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000930016337 663990331 /nfs/dbraw/zinc/99/03/31/663990331.db2.gz ALVSBZQZDOSOQY-NEPJUHHUSA-N 1 1 322.427 -1.098 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930016896 663990494 /nfs/dbraw/zinc/99/04/94/663990494.db2.gz FLEDWLDODAEODC-AVGNSLFASA-N 1 1 322.427 -1.098 20 0 DAADMO COC(=O)[C@@H]1CN(CC2CN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC000930713262 663991829 /nfs/dbraw/zinc/99/18/29/663991829.db2.gz DPMJCJODNJEWKS-LBPRGKRZSA-N 1 1 319.427 -1.086 20 0 DAADMO COC(=O)[C@H]1CN(C)CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000930713262 663991847 /nfs/dbraw/zinc/99/18/47/663991847.db2.gz DPMJCJODNJEWKS-LBPRGKRZSA-N 1 1 319.427 -1.086 20 0 DAADMO COC(=O)[C@H]1CN(C)CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930714448 663992307 /nfs/dbraw/zinc/99/23/07/663992307.db2.gz YXLXAJPDRIAMJT-QWHCGFSZSA-N 1 1 316.398 -1.075 20 0 DAADMO COC(=O)[C@@H]1CN(C[C@@H](O)C2(O)CCOCC2)CC[N@H+](C)C1 ZINC000930714448 663992309 /nfs/dbraw/zinc/99/23/09/663992309.db2.gz YXLXAJPDRIAMJT-QWHCGFSZSA-N 1 1 316.398 -1.075 20 0 DAADMO COC(=O)[C@@H]1CN(C)CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930714447 663992424 /nfs/dbraw/zinc/99/24/24/663992424.db2.gz YXLXAJPDRIAMJT-OLZOCXBDSA-N 1 1 316.398 -1.075 20 0 DAADMO COC(=O)[C@H]1CN(C[C@H](O)C2(O)CCOCC2)CC[N@H+](C)C1 ZINC000930714447 663992427 /nfs/dbraw/zinc/99/24/27/663992427.db2.gz YXLXAJPDRIAMJT-OLZOCXBDSA-N 1 1 316.398 -1.075 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000931256730 663993075 /nfs/dbraw/zinc/99/30/75/663993075.db2.gz QEYYSMZFZIYRPU-CYBMUJFWSA-N 1 1 313.398 -1.067 20 0 DAADMO COC1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CS(=O)(=O)C1 ZINC000931187960 663993102 /nfs/dbraw/zinc/99/31/02/663993102.db2.gz ZRLLFKXFSCYEBD-WDEREUQCSA-N 1 1 318.395 -1.221 20 0 DAADMO COC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CS(=O)(=O)C1 ZINC000931187960 663993103 /nfs/dbraw/zinc/99/31/03/663993103.db2.gz ZRLLFKXFSCYEBD-WDEREUQCSA-N 1 1 318.395 -1.221 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931635802 663995198 /nfs/dbraw/zinc/99/51/98/663995198.db2.gz HOSNEYALMCACNM-ZJUUUORDSA-N 1 1 304.343 -1.280 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931635802 663995199 /nfs/dbraw/zinc/99/51/99/663995199.db2.gz HOSNEYALMCACNM-ZJUUUORDSA-N 1 1 304.343 -1.280 20 0 DAADMO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931651833 663995525 /nfs/dbraw/zinc/99/55/25/663995525.db2.gz LMIUXPHIUKVTPA-QWRGUYRKSA-N 1 1 315.395 -1.404 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000931871847 663996331 /nfs/dbraw/zinc/99/63/31/663996331.db2.gz APPHCGCFKZZEEL-JTQLQIEISA-N 1 1 318.399 -2.090 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000931871847 663996334 /nfs/dbraw/zinc/99/63/34/663996334.db2.gz APPHCGCFKZZEEL-JTQLQIEISA-N 1 1 318.399 -2.090 20 0 DAADMO CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931875020 663996580 /nfs/dbraw/zinc/99/65/80/663996580.db2.gz SZJJFKFTTCMLFE-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931875020 663996585 /nfs/dbraw/zinc/99/65/85/663996585.db2.gz SZJJFKFTTCMLFE-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000931889882 663997306 /nfs/dbraw/zinc/99/73/06/663997306.db2.gz LRFKIHANNRAVGG-RWSFTLGLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000931889882 663997307 /nfs/dbraw/zinc/99/73/07/663997307.db2.gz LRFKIHANNRAVGG-RWSFTLGLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[NH+]1CCCC1 ZINC000932029757 663997404 /nfs/dbraw/zinc/99/74/04/663997404.db2.gz OROLFKKMJCCWDC-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000931886903 663997425 /nfs/dbraw/zinc/99/74/25/663997425.db2.gz QNMMAOVPZBLMHX-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000931886903 663997426 /nfs/dbraw/zinc/99/74/26/663997426.db2.gz QNMMAOVPZBLMHX-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000931887372 663997824 /nfs/dbraw/zinc/99/78/24/663997824.db2.gz RQFSAPAXQNQIQP-LLVKDONJSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000931887372 663997826 /nfs/dbraw/zinc/99/78/26/663997826.db2.gz RQFSAPAXQNQIQP-LLVKDONJSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000931888749 663997950 /nfs/dbraw/zinc/99/79/50/663997950.db2.gz RHIHPYWDAURQRZ-LADRHHBVSA-N 1 1 317.415 -1.458 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000931888749 663997954 /nfs/dbraw/zinc/99/79/54/663997954.db2.gz RHIHPYWDAURQRZ-LADRHHBVSA-N 1 1 317.415 -1.458 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000932124061 663998649 /nfs/dbraw/zinc/99/86/49/663998649.db2.gz SBHUWGONGUBQQS-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932547592 663999291 /nfs/dbraw/zinc/99/92/91/663999291.db2.gz OZOBHOGHDWBTKO-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(C[NH+]1CCC([C@H]2COC(=O)N2)CC1)N1CCNC(=O)C1 ZINC000932786270 663999979 /nfs/dbraw/zinc/99/99/79/663999979.db2.gz QHXNJYCPSBUUJE-LLVKDONJSA-N 1 1 310.354 -1.235 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000933167828 664000643 /nfs/dbraw/zinc/00/06/43/664000643.db2.gz VCVFCMQGKBUWMP-GHMZBOCLSA-N 1 1 320.397 -1.001 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000933167828 664000649 /nfs/dbraw/zinc/00/06/49/664000649.db2.gz VCVFCMQGKBUWMP-GHMZBOCLSA-N 1 1 320.397 -1.001 20 0 DAADMO COCCOCCOCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933091602 664000771 /nfs/dbraw/zinc/00/07/71/664000771.db2.gz BDUSFVAZCLLJJJ-GFCCVEGCSA-N 1 1 323.415 -1.500 20 0 DAADMO COCCOCCOCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933091602 664000774 /nfs/dbraw/zinc/00/07/74/664000774.db2.gz BDUSFVAZCLLJJJ-GFCCVEGCSA-N 1 1 323.415 -1.500 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000933435172 664000815 /nfs/dbraw/zinc/00/08/15/664000815.db2.gz OFHCXTCSAABJJO-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCc2nnn(C)c2C1 ZINC000933167832 664000933 /nfs/dbraw/zinc/00/09/33/664000933.db2.gz VCVFCMQGKBUWMP-QWRGUYRKSA-N 1 1 320.397 -1.001 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCc2nnn(C)c2C1 ZINC000933167832 664000935 /nfs/dbraw/zinc/00/09/35/664000935.db2.gz VCVFCMQGKBUWMP-QWRGUYRKSA-N 1 1 320.397 -1.001 20 0 DAADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000933294512 664001111 /nfs/dbraw/zinc/00/11/11/664001111.db2.gz QDBXBHLIGDBXMU-NWDGAFQWSA-N 1 1 323.401 -1.024 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C1 ZINC000933850340 664001476 /nfs/dbraw/zinc/00/14/76/664001476.db2.gz FTYHOALHLLHKCI-NEPJUHHUSA-N 1 1 313.398 -1.354 20 0 DAADMO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000933926627 664002176 /nfs/dbraw/zinc/00/21/76/664002176.db2.gz FXIJZVHHNNFOAQ-UWVGGRQHSA-N 1 1 303.384 -1.642 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000933926627 664002182 /nfs/dbraw/zinc/00/21/82/664002182.db2.gz FXIJZVHHNNFOAQ-UWVGGRQHSA-N 1 1 303.384 -1.642 20 0 DAADMO Cn1c(CN2CCN(C)CC[N@@H+](C)CC2)cc(=O)n(C)c1=O ZINC000933995009 664002452 /nfs/dbraw/zinc/00/24/52/664002452.db2.gz AZQXBLQWJKKKRN-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000934536492 664003187 /nfs/dbraw/zinc/00/31/87/664003187.db2.gz CGDJLPVVRNLWEM-MXWKQRLJSA-N 1 1 317.411 -1.256 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574677 664003294 /nfs/dbraw/zinc/00/32/94/664003294.db2.gz KZJSBAILGCVIKA-IEBDPFPHSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574677 664003296 /nfs/dbraw/zinc/00/32/96/664003296.db2.gz KZJSBAILGCVIKA-IEBDPFPHSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000935189676 664004352 /nfs/dbraw/zinc/00/43/52/664004352.db2.gz LIZDLBYPMHDAGK-HBNTYKKESA-N 1 1 309.374 -1.271 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000935400432 664005042 /nfs/dbraw/zinc/00/50/42/664005042.db2.gz SFOYXZPGFDLZQT-RYUDHWBXSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CCCO ZINC000948013461 664012139 /nfs/dbraw/zinc/01/21/39/664012139.db2.gz WVOKVZQOGSYSHL-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000948033011 664012226 /nfs/dbraw/zinc/01/22/26/664012226.db2.gz ZJGARZSXDVPSJD-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000948033011 664012233 /nfs/dbraw/zinc/01/22/33/664012233.db2.gz ZJGARZSXDVPSJD-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000948059510 664013544 /nfs/dbraw/zinc/01/35/44/664013544.db2.gz DWBOFIFRZZAYQD-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948567034 664018901 /nfs/dbraw/zinc/01/89/01/664018901.db2.gz SSVUHUKIWOXROD-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948673823 664020014 /nfs/dbraw/zinc/02/00/14/664020014.db2.gz JTQKHJAZHYFDFS-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000948737329 664021076 /nfs/dbraw/zinc/02/10/76/664021076.db2.gz IBBDQAYVQYCDJE-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751508 664021497 /nfs/dbraw/zinc/02/14/97/664021497.db2.gz RIAXGOCWINXTDY-QWHCGFSZSA-N 1 1 322.413 -1.169 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000949143607 664029310 /nfs/dbraw/zinc/02/93/10/664029310.db2.gz LTVDAGHTRYQALT-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000949187255 664030614 /nfs/dbraw/zinc/03/06/14/664030614.db2.gz JJIJOYHAGYFKPK-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000949239799 664031203 /nfs/dbraw/zinc/03/12/03/664031203.db2.gz VGGOTMCLNPVADM-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000949239799 664031207 /nfs/dbraw/zinc/03/12/07/664031207.db2.gz VGGOTMCLNPVADM-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244051 664031284 /nfs/dbraw/zinc/03/12/84/664031284.db2.gz VCVUPMITLJNPOA-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244051 664031286 /nfs/dbraw/zinc/03/12/86/664031286.db2.gz VCVUPMITLJNPOA-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238829 664031368 /nfs/dbraw/zinc/03/13/68/664031368.db2.gz MWHSRAZZMCMJLZ-GHMZBOCLSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238829 664031373 /nfs/dbraw/zinc/03/13/73/664031373.db2.gz MWHSRAZZMCMJLZ-GHMZBOCLSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240241 664031623 /nfs/dbraw/zinc/03/16/23/664031623.db2.gz ZYLPFBPBLSQDQD-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240241 664031628 /nfs/dbraw/zinc/03/16/28/664031628.db2.gz ZYLPFBPBLSQDQD-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949239563 664031698 /nfs/dbraw/zinc/03/16/98/664031698.db2.gz SLYFXWFQYBDSOC-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949239563 664031704 /nfs/dbraw/zinc/03/17/04/664031704.db2.gz SLYFXWFQYBDSOC-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238566 664031846 /nfs/dbraw/zinc/03/18/46/664031846.db2.gz JOWVBRBAHPXRPH-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238566 664031847 /nfs/dbraw/zinc/03/18/47/664031847.db2.gz JOWVBRBAHPXRPH-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238210 664031855 /nfs/dbraw/zinc/03/18/55/664031855.db2.gz GSEPIXFZGNZGMG-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238210 664031859 /nfs/dbraw/zinc/03/18/59/664031859.db2.gz GSEPIXFZGNZGMG-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239363 664032138 /nfs/dbraw/zinc/03/21/38/664032138.db2.gz RIGAUXFFVNQMQO-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239363 664032140 /nfs/dbraw/zinc/03/21/40/664032140.db2.gz RIGAUXFFVNQMQO-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244227 664032144 /nfs/dbraw/zinc/03/21/44/664032144.db2.gz YIUAPSKEJNGWRK-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244227 664032147 /nfs/dbraw/zinc/03/21/47/664032147.db2.gz YIUAPSKEJNGWRK-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949242329 664032261 /nfs/dbraw/zinc/03/22/61/664032261.db2.gz BOIUAJARRCMHMP-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949242329 664032266 /nfs/dbraw/zinc/03/22/66/664032266.db2.gz BOIUAJARRCMHMP-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO C[C@@H](C(N)=O)N1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380452 664034349 /nfs/dbraw/zinc/03/43/49/664034349.db2.gz HCGUWGHHXQMORQ-OPXGVBIBSA-N 1 1 322.409 -1.132 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000949718544 664042934 /nfs/dbraw/zinc/04/29/34/664042934.db2.gz PJFAPBMAQYRFIX-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000949718544 664042939 /nfs/dbraw/zinc/04/29/39/664042939.db2.gz PJFAPBMAQYRFIX-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000949947828 664048522 /nfs/dbraw/zinc/04/85/22/664048522.db2.gz KQYIPONBSLFQPX-NWDGAFQWSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000949947830 664048926 /nfs/dbraw/zinc/04/89/26/664048926.db2.gz KQYIPONBSLFQPX-VXGBXAGGSA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000949946808 664048962 /nfs/dbraw/zinc/04/89/62/664048962.db2.gz RAENBRURGSOVBT-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000950076578 664050956 /nfs/dbraw/zinc/05/09/56/664050956.db2.gz GATNZKLRQLGQBN-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000950077672 664051070 /nfs/dbraw/zinc/05/10/70/664051070.db2.gz TYDOQZUQSOIPRL-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000950232130 664053236 /nfs/dbraw/zinc/05/32/36/664053236.db2.gz WFQSNVZEWSGTLJ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000950243641 664053327 /nfs/dbraw/zinc/05/33/27/664053327.db2.gz JMIIVWZZZGXRSB-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000950230892 664053360 /nfs/dbraw/zinc/05/33/60/664053360.db2.gz KOMSIUJNSBOBOD-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)CC[N@H+]1C ZINC000950243805 664053394 /nfs/dbraw/zinc/05/33/94/664053394.db2.gz MVXSMTAMBGAFFI-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263863 664054891 /nfs/dbraw/zinc/05/48/91/664054891.db2.gz FTFYGNNDEVCVDQ-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263863 664054894 /nfs/dbraw/zinc/05/48/94/664054894.db2.gz FTFYGNNDEVCVDQ-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(CC(N)=O)C1 ZINC000950381206 664055180 /nfs/dbraw/zinc/05/51/80/664055180.db2.gz MMHOBEXUBPZEMM-YPMHNXCESA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000950471005 664056490 /nfs/dbraw/zinc/05/64/90/664056490.db2.gz KYEWKRYKYCYBRL-VHSXEESVSA-N 1 1 305.338 -1.037 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000950510485 664058102 /nfs/dbraw/zinc/05/81/02/664058102.db2.gz UISZEOFOAWFSGO-NWDGAFQWSA-N 1 1 322.413 -1.050 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000950545549 664058656 /nfs/dbraw/zinc/05/86/56/664058656.db2.gz KARWLCFMGVJDPL-UPJWGTAASA-N 1 1 321.381 -1.490 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000950870500 664063709 /nfs/dbraw/zinc/06/37/09/664063709.db2.gz VHAOACDNZIGWAA-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000950915116 664065529 /nfs/dbraw/zinc/06/55/29/664065529.db2.gz ZVHNDNLFLGMJHE-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC000950930492 664065715 /nfs/dbraw/zinc/06/57/15/664065715.db2.gz GEGYNEBQOVLRGU-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000951087766 664069873 /nfs/dbraw/zinc/06/98/73/664069873.db2.gz YAAKIOWCIXWZNQ-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000951087766 664069876 /nfs/dbraw/zinc/06/98/76/664069876.db2.gz YAAKIOWCIXWZNQ-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632226232 664071161 /nfs/dbraw/zinc/07/11/61/664071161.db2.gz MSGAIKURTJBRMZ-GFCCVEGCSA-N 1 1 309.432 -1.449 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000951166598 664071972 /nfs/dbraw/zinc/07/19/72/664071972.db2.gz QBBFSVYWGLDDAI-NSHDSACASA-N 1 1 324.381 -1.123 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000951185900 664072552 /nfs/dbraw/zinc/07/25/52/664072552.db2.gz CVMXZAFVAGHBHB-JLLWLGSASA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000951185900 664072558 /nfs/dbraw/zinc/07/25/58/664072558.db2.gz CVMXZAFVAGHBHB-JLLWLGSASA-N 1 1 322.369 -1.288 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000951357382 664075667 /nfs/dbraw/zinc/07/56/67/664075667.db2.gz KRVGRYNSQXPHEU-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000951620428 664087110 /nfs/dbraw/zinc/08/71/10/664087110.db2.gz INEMMAIUHYJMSQ-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000951622501 664088528 /nfs/dbraw/zinc/08/85/28/664088528.db2.gz CRWAKBHNTUVBHT-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000951623439 664088557 /nfs/dbraw/zinc/08/85/57/664088557.db2.gz YZLWWLHAJSMGKN-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000951623438 664088801 /nfs/dbraw/zinc/08/88/01/664088801.db2.gz YZLWWLHAJSMGKN-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC000951623102 664088843 /nfs/dbraw/zinc/08/88/43/664088843.db2.gz QQBPETWILMLPPO-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2nnn(C)n2)C1 ZINC000951625249 664089399 /nfs/dbraw/zinc/08/93/99/664089399.db2.gz REWCDYIBUJXUQG-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]2CNC(=O)c2nnn(C)n2)C1 ZINC000951625251 664089614 /nfs/dbraw/zinc/08/96/14/664089614.db2.gz REWCDYIBUJXUQG-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636390 664089822 /nfs/dbraw/zinc/08/98/22/664089822.db2.gz WQRVACDEKGUHMS-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636390 664089825 /nfs/dbraw/zinc/08/98/25/664089825.db2.gz WQRVACDEKGUHMS-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636388 664090146 /nfs/dbraw/zinc/09/01/46/664090146.db2.gz WQRVACDEKGUHMS-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636388 664090148 /nfs/dbraw/zinc/09/01/48/664090148.db2.gz WQRVACDEKGUHMS-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000951706539 664092436 /nfs/dbraw/zinc/09/24/36/664092436.db2.gz AQNCHUHJOZOVQX-IPWFMCSPSA-N 1 1 310.354 -1.500 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cnon2)C1 ZINC000951752472 664092829 /nfs/dbraw/zinc/09/28/29/664092829.db2.gz DZRZHGPAHAGPFH-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)c2cnon2)C1 ZINC000951752472 664092833 /nfs/dbraw/zinc/09/28/33/664092833.db2.gz DZRZHGPAHAGPFH-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000951752470 664093056 /nfs/dbraw/zinc/09/30/56/664093056.db2.gz DZRZHGPAHAGPFH-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000951752470 664093061 /nfs/dbraw/zinc/09/30/61/664093061.db2.gz DZRZHGPAHAGPFH-KOLCDFICSA-N 1 1 309.326 -1.269 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)no1 ZINC000951858038 664098738 /nfs/dbraw/zinc/09/87/38/664098738.db2.gz FEQCIGVGYBSOPY-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858242 664098832 /nfs/dbraw/zinc/09/88/32/664098832.db2.gz JRABRQUGJOXUFP-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858242 664098836 /nfs/dbraw/zinc/09/88/36/664098836.db2.gz JRABRQUGJOXUFP-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1C[NH+](CCCO)C1 ZINC000952389511 664109991 /nfs/dbraw/zinc/10/99/91/664109991.db2.gz FQWXCFFKTLELPG-UHFFFAOYSA-N 1 1 324.381 -1.387 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1C[NH+](C[C@H](C)O)C1 ZINC000952390293 664110465 /nfs/dbraw/zinc/11/04/65/664110465.db2.gz URQCRIKQAYCZTN-JTQLQIEISA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)Cn3cnnn3)C2)C1 ZINC000953687363 664123025 /nfs/dbraw/zinc/12/30/25/664123025.db2.gz HTLCZEVSIUZUKZ-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953686336 664123158 /nfs/dbraw/zinc/12/31/58/664123158.db2.gz VLPYDDNOAKNDMN-NSHDSACASA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953687917 664123235 /nfs/dbraw/zinc/12/32/35/664123235.db2.gz USLIPWADJWUEKI-CMPLNLGQSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953902350 664128360 /nfs/dbraw/zinc/12/83/60/664128360.db2.gz DWCHNCVBBRKFKH-LLVKDONJSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000953905435 664129708 /nfs/dbraw/zinc/12/97/08/664129708.db2.gz ZGDSKVBEMZUHAE-NWDGAFQWSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953959993 664130658 /nfs/dbraw/zinc/13/06/58/664130658.db2.gz WZDDFEBFLMBTGL-GXTWGEPZSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC000953957899 664131134 /nfs/dbraw/zinc/13/11/34/664131134.db2.gz LNYXTWXLPFOOES-LBPRGKRZSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cc2ncc[nH]2)C1 ZINC000953957899 664131138 /nfs/dbraw/zinc/13/11/38/664131138.db2.gz LNYXTWXLPFOOES-LBPRGKRZSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953958191 664131185 /nfs/dbraw/zinc/13/11/85/664131185.db2.gz RHCMRUHVVYVRGV-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953958191 664131189 /nfs/dbraw/zinc/13/11/89/664131189.db2.gz RHCMRUHVVYVRGV-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954103938 664133638 /nfs/dbraw/zinc/13/36/38/664133638.db2.gz CEHCHAZFMBDVAU-TZMCWYRMSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954103936 664134059 /nfs/dbraw/zinc/13/40/59/664134059.db2.gz CEHCHAZFMBDVAU-JSGCOSHPSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1COCCN1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954103937 664134205 /nfs/dbraw/zinc/13/42/05/664134205.db2.gz CEHCHAZFMBDVAU-OCCSQVGLSA-N 1 1 324.425 -1.062 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954193227 664138651 /nfs/dbraw/zinc/13/86/51/664138651.db2.gz DKBWGRQPKRHKJG-NSHDSACASA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954320663 664142537 /nfs/dbraw/zinc/14/25/37/664142537.db2.gz HKCXRXWLVNSXGW-SECBINFHSA-N 1 1 307.358 -1.555 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2COCCN2C)C1 ZINC000954315828 664142556 /nfs/dbraw/zinc/14/25/56/664142556.db2.gz JQXMIESWTLCGTJ-OCCSQVGLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cncn2)C1 ZINC000954319120 664142620 /nfs/dbraw/zinc/14/26/20/664142620.db2.gz HGHJOLREPPWOES-LLVKDONJSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000954318798 664143002 /nfs/dbraw/zinc/14/30/02/664143002.db2.gz ZUIVZCKOQDWZFQ-JSGCOSHPSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000954319374 664143066 /nfs/dbraw/zinc/14/30/66/664143066.db2.gz JOZVMGBFTLVUAG-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000954319374 664143070 /nfs/dbraw/zinc/14/30/70/664143070.db2.gz JOZVMGBFTLVUAG-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000954319374 664143077 /nfs/dbraw/zinc/14/30/77/664143077.db2.gz JOZVMGBFTLVUAG-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954315532 664143268 /nfs/dbraw/zinc/14/32/68/664143268.db2.gz GTJBFSKPCGXAAN-ONGXEEELSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000954317684 664143272 /nfs/dbraw/zinc/14/32/72/664143272.db2.gz NHJSBUMWSYKULN-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954326749 664143577 /nfs/dbraw/zinc/14/35/77/664143577.db2.gz OJXXDTJNVVFHMU-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)C(N)=O)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000954342326 664143623 /nfs/dbraw/zinc/14/36/23/664143623.db2.gz KPLBPPPLQVBMJR-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000954342326 664143628 /nfs/dbraw/zinc/14/36/28/664143628.db2.gz KPLBPPPLQVBMJR-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954347523 664144297 /nfs/dbraw/zinc/14/42/97/664144297.db2.gz JLPHJTDLKLSEFZ-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954356432 664145840 /nfs/dbraw/zinc/14/58/40/664145840.db2.gz VAEOBGYTJGIABH-CMPLNLGQSA-N 1 1 321.385 -1.460 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)Cn3ncnn3)C2)C1 ZINC000954354246 664146275 /nfs/dbraw/zinc/14/62/75/664146275.db2.gz BDBKEINFDJMAFN-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000954424881 664148056 /nfs/dbraw/zinc/14/80/56/664148056.db2.gz LUCWBXFZYNVDOD-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000954424881 664148057 /nfs/dbraw/zinc/14/80/57/664148057.db2.gz LUCWBXFZYNVDOD-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2ncnn2)n1 ZINC001037007493 664150387 /nfs/dbraw/zinc/15/03/87/664150387.db2.gz IDRVDJLEOKYYKV-VHSXEESVSA-N 1 1 320.361 -1.729 20 0 DAADMO CN(C(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)CC(N)=O)C1 ZINC000954687752 664153773 /nfs/dbraw/zinc/15/37/73/664153773.db2.gz UBUKYTZZPRCBMX-UHFFFAOYSA-N 1 1 323.353 -1.106 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954709091 664154390 /nfs/dbraw/zinc/15/43/90/664154390.db2.gz GMQRUZKPZCHHMP-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)c1cnn(C)n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954776901 664156977 /nfs/dbraw/zinc/15/69/77/664156977.db2.gz QWUYBBXAXZVWJF-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cnn(C)n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954776901 664156983 /nfs/dbraw/zinc/15/69/83/664156983.db2.gz QWUYBBXAXZVWJF-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954915112 664159550 /nfs/dbraw/zinc/15/95/50/664159550.db2.gz NGZYTPJMCXOGFN-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954915112 664159555 /nfs/dbraw/zinc/15/95/55/664159555.db2.gz NGZYTPJMCXOGFN-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954954576 664161571 /nfs/dbraw/zinc/16/15/71/664161571.db2.gz FWQUVGZMCGGLDH-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954958268 664162366 /nfs/dbraw/zinc/16/23/66/664162366.db2.gz FWQUVGZMCGGLDH-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC000954963394 664163947 /nfs/dbraw/zinc/16/39/47/664163947.db2.gz QYYQIZOEZBGLQC-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954963557 664163982 /nfs/dbraw/zinc/16/39/82/664163982.db2.gz AOUWNFYYUDKHQX-CMPLNLGQSA-N 1 1 308.382 -1.257 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1 ZINC000955017275 664165558 /nfs/dbraw/zinc/16/55/58/664165558.db2.gz PLTCUIHEOFDVAF-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1 ZINC000955017275 664165560 /nfs/dbraw/zinc/16/55/60/664165560.db2.gz PLTCUIHEOFDVAF-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955033382 664168609 /nfs/dbraw/zinc/16/86/09/664168609.db2.gz NMLDWVBZDSMVDF-UHFFFAOYSA-N 1 1 318.341 -1.302 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955079392 664169741 /nfs/dbraw/zinc/16/97/41/664169741.db2.gz VJFGTSHPPVRXCJ-LLVKDONJSA-N 1 1 312.370 -1.750 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955079392 664169743 /nfs/dbraw/zinc/16/97/43/664169743.db2.gz VJFGTSHPPVRXCJ-LLVKDONJSA-N 1 1 312.370 -1.750 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000955152128 664172828 /nfs/dbraw/zinc/17/28/28/664172828.db2.gz RMGSATIDMFKRIL-GHMZBOCLSA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000955154426 664174613 /nfs/dbraw/zinc/17/46/13/664174613.db2.gz VEPQJHZRTSVUBQ-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955153826 664174784 /nfs/dbraw/zinc/17/47/84/664174784.db2.gz OTYDQHADKXJZRO-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000955157071 664175629 /nfs/dbraw/zinc/17/56/29/664175629.db2.gz ZVUAFPDSBYTAQJ-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955337903 664181701 /nfs/dbraw/zinc/18/17/01/664181701.db2.gz ALLNOZGWMZFJNE-SNVBAGLBSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955342471 664181753 /nfs/dbraw/zinc/18/17/53/664181753.db2.gz ZQXRAFXUCWAUCL-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955342466 664181767 /nfs/dbraw/zinc/18/17/67/664181767.db2.gz ZQXRAFXUCWAUCL-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955346302 664182310 /nfs/dbraw/zinc/18/23/10/664182310.db2.gz JOCYPRHJKUFTKS-ONGXEEELSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000955345128 664182358 /nfs/dbraw/zinc/18/23/58/664182358.db2.gz RUNVBEXDDGHQSR-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955350219 664182853 /nfs/dbraw/zinc/18/28/53/664182853.db2.gz RKSAJTJRAYKDRE-JQWIXIFHSA-N 1 1 321.385 -1.460 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)c2nnn(C)n2)n1 ZINC001037059248 664185077 /nfs/dbraw/zinc/18/50/77/664185077.db2.gz WAROUCMFCUSSKT-DTWKUNHWSA-N 1 1 320.361 -1.578 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955388457 664185337 /nfs/dbraw/zinc/18/53/37/664185337.db2.gz QAMUCWPCTXQSHY-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000955388457 664185339 /nfs/dbraw/zinc/18/53/39/664185339.db2.gz QAMUCWPCTXQSHY-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955388457 664185340 /nfs/dbraw/zinc/18/53/40/664185340.db2.gz QAMUCWPCTXQSHY-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955443388 664186247 /nfs/dbraw/zinc/18/62/47/664186247.db2.gz DZWGBYSJXVRQOY-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955443388 664186258 /nfs/dbraw/zinc/18/62/58/664186258.db2.gz DZWGBYSJXVRQOY-ZDUSSCGKSA-N 1 1 321.381 -1.048 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cn2ncnn2)C1 ZINC000956027439 664193480 /nfs/dbraw/zinc/19/34/80/664193480.db2.gz ANOSIXIQNCWDIW-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000956090145 664194170 /nfs/dbraw/zinc/19/41/70/664194170.db2.gz BJRWNEWPFHZOBF-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)c2cn[nH]n2)C1 ZINC000956090145 664194174 /nfs/dbraw/zinc/19/41/74/664194174.db2.gz BJRWNEWPFHZOBF-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2cncn2)n1 ZINC001037127997 664199108 /nfs/dbraw/zinc/19/91/08/664199108.db2.gz MWYXXSPYELNEMF-QWRGUYRKSA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2cnnn2)C1 ZINC000956771930 664201229 /nfs/dbraw/zinc/20/12/29/664201229.db2.gz DDZBFVOLHBKBLI-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000956946378 664203851 /nfs/dbraw/zinc/20/38/51/664203851.db2.gz ICASVRJMAWTIEN-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261010 664204055 /nfs/dbraw/zinc/20/40/55/664204055.db2.gz PBIRUROVBLSAFA-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261010 664204058 /nfs/dbraw/zinc/20/40/58/664204058.db2.gz PBIRUROVBLSAFA-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000956928513 664204381 /nfs/dbraw/zinc/20/43/81/664204381.db2.gz KSYPYCRPYBKGQQ-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000956938522 664204409 /nfs/dbraw/zinc/20/44/09/664204409.db2.gz YQCHYGITGDMYBS-CJNGLKHVSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NCCCN1CCCCCC1=O ZINC000957057188 664205092 /nfs/dbraw/zinc/20/50/92/664205092.db2.gz ZXFRZDVLOKUMAD-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(CC(=O)NC)C1 ZINC000957411050 664211776 /nfs/dbraw/zinc/21/17/76/664211776.db2.gz LYQXWNMJZMKDRY-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(CC(=O)NC)C1 ZINC000957411050 664211779 /nfs/dbraw/zinc/21/17/79/664211779.db2.gz LYQXWNMJZMKDRY-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)C1C[NH+](C[C@H](C)O)C1 ZINC000957404900 664212046 /nfs/dbraw/zinc/21/20/46/664212046.db2.gz UYHYJPGGOKEKLT-GXSJLCMTSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@]1(CC(=O)N2CC[NH+](CCCO)CC2)CCS(=O)(=O)N1 ZINC000957462114 664213029 /nfs/dbraw/zinc/21/30/29/664213029.db2.gz LOGDKOJGBRVHON-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000957649201 664216499 /nfs/dbraw/zinc/21/64/99/664216499.db2.gz HJNMVMQBPUCNQR-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnnn3C)CC2)C1 ZINC000957730579 664217012 /nfs/dbraw/zinc/21/70/12/664217012.db2.gz KZRMEJHVSGMSCH-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnnn3C)CC2)C1 ZINC000957730579 664217015 /nfs/dbraw/zinc/21/70/15/664217015.db2.gz KZRMEJHVSGMSCH-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000957688613 664217079 /nfs/dbraw/zinc/21/70/79/664217079.db2.gz ZZGFDWZEZQLQHO-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000957688324 664217085 /nfs/dbraw/zinc/21/70/85/664217085.db2.gz NRACDVRBTUQAAI-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785738 664217688 /nfs/dbraw/zinc/21/76/88/664217688.db2.gz YVJUENWKDOSQCY-STQMWFEESA-N 1 1 311.382 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785738 664217695 /nfs/dbraw/zinc/21/76/95/664217695.db2.gz YVJUENWKDOSQCY-STQMWFEESA-N 1 1 311.382 -1.336 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957776491 664218215 /nfs/dbraw/zinc/21/82/15/664218215.db2.gz JGQUOEFAGWUEFT-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785256 664218335 /nfs/dbraw/zinc/21/83/35/664218335.db2.gz VGYBYTOYMMHPTA-NWDGAFQWSA-N 1 1 324.381 -2.236 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785256 664218339 /nfs/dbraw/zinc/21/83/39/664218339.db2.gz VGYBYTOYMMHPTA-NWDGAFQWSA-N 1 1 324.381 -2.236 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC000957797539 664218789 /nfs/dbraw/zinc/21/87/89/664218789.db2.gz JFIUVFCHPJDJOP-NWDGAFQWSA-N 1 1 309.366 -1.046 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC000957794274 664218854 /nfs/dbraw/zinc/21/88/54/664218854.db2.gz RVVCQJFWOYEHJE-CMPLNLGQSA-N 1 1 310.354 -1.987 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC000957797062 664219149 /nfs/dbraw/zinc/21/91/49/664219149.db2.gz BKXCAKYSSZAQSW-GHMZBOCLSA-N 1 1 310.354 -1.643 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820525 664219769 /nfs/dbraw/zinc/21/97/69/664219769.db2.gz HCEQZKZLZSIWIA-JQWIXIFHSA-N 1 1 323.353 -1.388 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820525 664219771 /nfs/dbraw/zinc/21/97/71/664219771.db2.gz HCEQZKZLZSIWIA-JQWIXIFHSA-N 1 1 323.353 -1.388 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000957833359 664219907 /nfs/dbraw/zinc/21/99/07/664219907.db2.gz AOOYVHRXOHNXLY-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000957833359 664219910 /nfs/dbraw/zinc/21/99/10/664219910.db2.gz AOOYVHRXOHNXLY-ZYHUDNBSSA-N 1 1 307.354 -1.413 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848202 664220454 /nfs/dbraw/zinc/22/04/54/664220454.db2.gz XOZIEBJJLLEWJV-SCZZXKLOSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848202 664220457 /nfs/dbraw/zinc/22/04/57/664220457.db2.gz XOZIEBJJLLEWJV-SCZZXKLOSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837875 664220741 /nfs/dbraw/zinc/22/07/41/664220741.db2.gz GBFAMUXOOOXGNG-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837875 664220744 /nfs/dbraw/zinc/22/07/44/664220744.db2.gz GBFAMUXOOOXGNG-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842451 664220799 /nfs/dbraw/zinc/22/07/99/664220799.db2.gz MTUJGZYVPHGMPO-QWHCGFSZSA-N 1 1 322.365 -1.569 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842451 664220801 /nfs/dbraw/zinc/22/08/01/664220801.db2.gz MTUJGZYVPHGMPO-QWHCGFSZSA-N 1 1 322.365 -1.569 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC000957878438 664221028 /nfs/dbraw/zinc/22/10/28/664221028.db2.gz MAOMNJJPKKNCDN-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC000957878438 664221030 /nfs/dbraw/zinc/22/10/30/664221030.db2.gz MAOMNJJPKKNCDN-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccn[nH]1 ZINC000957884063 664221082 /nfs/dbraw/zinc/22/10/82/664221082.db2.gz YVJPYZHTBSOWEZ-ZYHUDNBSSA-N 1 1 305.342 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC000957855480 664221108 /nfs/dbraw/zinc/22/11/08/664221108.db2.gz OAAUCTCUKBLALF-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)c2)[C@H](O)C1 ZINC000957855480 664221110 /nfs/dbraw/zinc/22/11/10/664221110.db2.gz OAAUCTCUKBLALF-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC000957855716 664221543 /nfs/dbraw/zinc/22/15/43/664221543.db2.gz REBGBQGREKEZIH-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC000957855716 664221544 /nfs/dbraw/zinc/22/15/44/664221544.db2.gz REBGBQGREKEZIH-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878246 664221588 /nfs/dbraw/zinc/22/15/88/664221588.db2.gz JGFYKMMLJDRAJE-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878246 664221590 /nfs/dbraw/zinc/22/15/90/664221590.db2.gz JGFYKMMLJDRAJE-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)cn1 ZINC000957855831 664221658 /nfs/dbraw/zinc/22/16/58/664221658.db2.gz SUIUOQJAWYTWTI-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)cn1 ZINC000957855831 664221659 /nfs/dbraw/zinc/22/16/59/664221659.db2.gz SUIUOQJAWYTWTI-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)[nH]n1 ZINC000957881975 664221709 /nfs/dbraw/zinc/22/17/09/664221709.db2.gz IBLAVVWIFYHDBA-SKDRFNHKSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)[nH]n1 ZINC000957881975 664221713 /nfs/dbraw/zinc/22/17/13/664221713.db2.gz IBLAVVWIFYHDBA-SKDRFNHKSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893941 664222608 /nfs/dbraw/zinc/22/26/08/664222608.db2.gz GPHUFIINEPFWTQ-JOYOIKCWSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893941 664222611 /nfs/dbraw/zinc/22/26/11/664222611.db2.gz GPHUFIINEPFWTQ-JOYOIKCWSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898191 664223049 /nfs/dbraw/zinc/22/30/49/664223049.db2.gz MVZGIBHBIZMMHY-SKDRFNHKSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898191 664223053 /nfs/dbraw/zinc/22/30/53/664223053.db2.gz MVZGIBHBIZMMHY-SKDRFNHKSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898353 664223410 /nfs/dbraw/zinc/22/34/10/664223410.db2.gz OMVGEJXEFPUIBX-JQWIXIFHSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898353 664223414 /nfs/dbraw/zinc/22/34/14/664223414.db2.gz OMVGEJXEFPUIBX-JQWIXIFHSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898351 664223667 /nfs/dbraw/zinc/22/36/67/664223667.db2.gz OMVGEJXEFPUIBX-CMPLNLGQSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898351 664223671 /nfs/dbraw/zinc/22/36/71/664223671.db2.gz OMVGEJXEFPUIBX-CMPLNLGQSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898187 664223858 /nfs/dbraw/zinc/22/38/58/664223858.db2.gz MVZGIBHBIZMMHY-CABZTGNLSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1)NC1CC1 ZINC000957898187 664223862 /nfs/dbraw/zinc/22/38/62/664223862.db2.gz MVZGIBHBIZMMHY-CABZTGNLSA-N 1 1 308.338 -1.024 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957905644 664224201 /nfs/dbraw/zinc/22/42/01/664224201.db2.gz LOQQGMNEBXGAOL-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957905644 664224202 /nfs/dbraw/zinc/22/42/02/664224202.db2.gz LOQQGMNEBXGAOL-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000957905613 664224675 /nfs/dbraw/zinc/22/46/75/664224675.db2.gz LCFFMLSCOYFBPV-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccon1 ZINC000957902519 664224721 /nfs/dbraw/zinc/22/47/21/664224721.db2.gz RTVHCDPOFXYAJK-ZYHUDNBSSA-N 1 1 323.353 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902388 664224766 /nfs/dbraw/zinc/22/47/66/664224766.db2.gz QKKYJAWRNAFNNJ-IUCAKERBSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902388 664224768 /nfs/dbraw/zinc/22/47/68/664224768.db2.gz QKKYJAWRNAFNNJ-IUCAKERBSA-N 1 1 313.383 -1.351 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC000957909723 664224848 /nfs/dbraw/zinc/22/48/48/664224848.db2.gz FEXMTLYUADETON-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC000957909723 664224852 /nfs/dbraw/zinc/22/48/52/664224852.db2.gz FEXMTLYUADETON-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncnc2C)[C@H](O)C1 ZINC000957902361 664224858 /nfs/dbraw/zinc/22/48/58/664224858.db2.gz QAZLXBIWXNJREK-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2C)[C@H](O)C1 ZINC000957902361 664224863 /nfs/dbraw/zinc/22/48/63/664224863.db2.gz QAZLXBIWXNJREK-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cocn1 ZINC000957925639 664225078 /nfs/dbraw/zinc/22/50/78/664225078.db2.gz DHVSHQRXMRPXFR-ZYHUDNBSSA-N 1 1 323.353 -1.278 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC000957923326 664225205 /nfs/dbraw/zinc/22/52/05/664225205.db2.gz XJCOSCRRFSBJRF-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC000957923326 664225210 /nfs/dbraw/zinc/22/52/10/664225210.db2.gz XJCOSCRRFSBJRF-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914933 664225282 /nfs/dbraw/zinc/22/52/82/664225282.db2.gz OCJTYZMKSKAKIB-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)n(C)n2)C1 ZINC000957914933 664225286 /nfs/dbraw/zinc/22/52/86/664225286.db2.gz OCJTYZMKSKAKIB-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000957919513 664225606 /nfs/dbraw/zinc/22/56/06/664225606.db2.gz SFQWADMMJCMPRO-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000957919513 664225609 /nfs/dbraw/zinc/22/56/09/664225609.db2.gz SFQWADMMJCMPRO-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC000957915052 664225674 /nfs/dbraw/zinc/22/56/74/664225674.db2.gz QDMMHHMRJKUEOF-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC000957915052 664225676 /nfs/dbraw/zinc/22/56/76/664225676.db2.gz QDMMHHMRJKUEOF-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC000957915051 664225784 /nfs/dbraw/zinc/22/57/84/664225784.db2.gz QDMMHHMRJKUEOF-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC000957915051 664225786 /nfs/dbraw/zinc/22/57/86/664225786.db2.gz QDMMHHMRJKUEOF-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC000957911319 664225794 /nfs/dbraw/zinc/22/57/94/664225794.db2.gz PWPGPTVPNICBTM-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)nn2C)[C@H](O)C1 ZINC000957911319 664225797 /nfs/dbraw/zinc/22/57/97/664225797.db2.gz PWPGPTVPNICBTM-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957934860 664226095 /nfs/dbraw/zinc/22/60/95/664226095.db2.gz DYQANPZGNYIDLX-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957934860 664226100 /nfs/dbraw/zinc/22/61/00/664226100.db2.gz DYQANPZGNYIDLX-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936533 664226381 /nfs/dbraw/zinc/22/63/81/664226381.db2.gz WOUYETRDPBMQOQ-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936533 664226384 /nfs/dbraw/zinc/22/63/84/664226384.db2.gz WOUYETRDPBMQOQ-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936769 664226540 /nfs/dbraw/zinc/22/65/40/664226540.db2.gz ZONUIYXJTADNAJ-GXSJLCMTSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936769 664226543 /nfs/dbraw/zinc/22/65/43/664226543.db2.gz ZONUIYXJTADNAJ-GXSJLCMTSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936770 664226603 /nfs/dbraw/zinc/22/66/03/664226603.db2.gz ZONUIYXJTADNAJ-KOLCDFICSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957936770 664226607 /nfs/dbraw/zinc/22/66/07/664226607.db2.gz ZONUIYXJTADNAJ-KOLCDFICSA-N 1 1 308.338 -1.444 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957934859 664226619 /nfs/dbraw/zinc/22/66/19/664226619.db2.gz DYQANPZGNYIDLX-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957934859 664226626 /nfs/dbraw/zinc/22/66/26/664226626.db2.gz DYQANPZGNYIDLX-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]c(C)c2C)[C@H](O)C1 ZINC000957935108 664226991 /nfs/dbraw/zinc/22/69/91/664226991.db2.gz HGEFCBJCNAXWMM-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]c(C)c2C)[C@H](O)C1 ZINC000957935108 664226993 /nfs/dbraw/zinc/22/69/93/664226993.db2.gz HGEFCBJCNAXWMM-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)cn1 ZINC000957930930 664227008 /nfs/dbraw/zinc/22/70/08/664227008.db2.gz IYKMEETXDYTMII-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)cn1 ZINC000957930930 664227010 /nfs/dbraw/zinc/22/70/10/664227010.db2.gz IYKMEETXDYTMII-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC000957953675 664227408 /nfs/dbraw/zinc/22/74/08/664227408.db2.gz QFEDCMQVQWGQEZ-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC000957953675 664227411 /nfs/dbraw/zinc/22/74/11/664227411.db2.gz QFEDCMQVQWGQEZ-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958579 664227420 /nfs/dbraw/zinc/22/74/20/664227420.db2.gz YMVYEPWAHDJIEH-NWDGAFQWSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958579 664227422 /nfs/dbraw/zinc/22/74/22/664227422.db2.gz YMVYEPWAHDJIEH-NWDGAFQWSA-N 1 1 322.365 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953314 664227458 /nfs/dbraw/zinc/22/74/58/664227458.db2.gz LHZUOYXWLWONMC-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953314 664227462 /nfs/dbraw/zinc/22/74/62/664227462.db2.gz LHZUOYXWLWONMC-VHSXEESVSA-N 1 1 310.358 -2.108 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC000957958581 664227752 /nfs/dbraw/zinc/22/77/52/664227752.db2.gz YMVYEPWAHDJIEH-VXGBXAGGSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC000957958581 664227756 /nfs/dbraw/zinc/22/77/56/664227756.db2.gz YMVYEPWAHDJIEH-VXGBXAGGSA-N 1 1 322.365 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943115 664227894 /nfs/dbraw/zinc/22/78/94/664227894.db2.gz BSTUIYFRJKQVAA-JQWIXIFHSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000957943115 664227899 /nfs/dbraw/zinc/22/78/99/664227899.db2.gz BSTUIYFRJKQVAA-JQWIXIFHSA-N 1 1 310.329 -1.011 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC000957982438 664228060 /nfs/dbraw/zinc/22/80/60/664228060.db2.gz MDKTXLIDRFAATN-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC000957982438 664228062 /nfs/dbraw/zinc/22/80/62/664228062.db2.gz MDKTXLIDRFAATN-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC000957984145 664228447 /nfs/dbraw/zinc/22/84/47/664228447.db2.gz ZOLMAIDUKKLVCS-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990438 664228994 /nfs/dbraw/zinc/22/89/94/664228994.db2.gz MVSWQZXSRXWRME-OLZOCXBDSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990438 664228998 /nfs/dbraw/zinc/22/89/98/664228998.db2.gz MVSWQZXSRXWRME-OLZOCXBDSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997421 664229253 /nfs/dbraw/zinc/22/92/53/664229253.db2.gz YFSFCXQFRCPSES-ONGXEEELSA-N 1 1 324.385 -1.887 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997421 664229255 /nfs/dbraw/zinc/22/92/55/664229255.db2.gz YFSFCXQFRCPSES-ONGXEEELSA-N 1 1 324.385 -1.887 20 0 DAADMO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000957987573 664229268 /nfs/dbraw/zinc/22/92/68/664229268.db2.gz YWONCTLCQYJDLF-OZWUEAAUSA-N 1 1 309.366 -1.047 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991571 664229550 /nfs/dbraw/zinc/22/95/50/664229550.db2.gz SZEOKJHRIFRLQW-UONOGXRCSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991571 664229552 /nfs/dbraw/zinc/22/95/52/664229552.db2.gz SZEOKJHRIFRLQW-UONOGXRCSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC000957990889 664229603 /nfs/dbraw/zinc/22/96/03/664229603.db2.gz PFVXFLVTHFDKGG-QWHCGFSZSA-N 1 1 317.353 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](O)C1 ZINC000957990437 664229641 /nfs/dbraw/zinc/22/96/41/664229641.db2.gz MVSWQZXSRXWRME-CHWSQXEVSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](O)C1 ZINC000957990437 664229642 /nfs/dbraw/zinc/22/96/42/664229642.db2.gz MVSWQZXSRXWRME-CHWSQXEVSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010861 664230010 /nfs/dbraw/zinc/23/00/10/664230010.db2.gz PJDSWNKKDUJNAY-MNOVXSKESA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010861 664230012 /nfs/dbraw/zinc/23/00/12/664230012.db2.gz PJDSWNKKDUJNAY-MNOVXSKESA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC000958001101 664230222 /nfs/dbraw/zinc/23/02/22/664230222.db2.gz YXWWXJXTTFZDND-RKDXNWHRSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC000958001101 664230226 /nfs/dbraw/zinc/23/02/26/664230226.db2.gz YXWWXJXTTFZDND-RKDXNWHRSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010862 664230317 /nfs/dbraw/zinc/23/03/17/664230317.db2.gz PJDSWNKKDUJNAY-QWRGUYRKSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010862 664230322 /nfs/dbraw/zinc/23/03/22/664230322.db2.gz PJDSWNKKDUJNAY-QWRGUYRKSA-N 1 1 307.354 -1.446 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000958000092 664230351 /nfs/dbraw/zinc/23/03/51/664230351.db2.gz SGVRCYNHNJZWPH-RYUDHWBXSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000958000092 664230358 /nfs/dbraw/zinc/23/03/58/664230358.db2.gz SGVRCYNHNJZWPH-RYUDHWBXSA-N 1 1 307.354 -1.413 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958004639 664230426 /nfs/dbraw/zinc/23/04/26/664230426.db2.gz HIBSKLPGWUKAPU-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958004639 664230428 /nfs/dbraw/zinc/23/04/28/664230428.db2.gz HIBSKLPGWUKAPU-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011369 664230659 /nfs/dbraw/zinc/23/06/59/664230659.db2.gz XHTLCQVXAQGMEW-NWDGAFQWSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011369 664230661 /nfs/dbraw/zinc/23/06/61/664230661.db2.gz XHTLCQVXAQGMEW-NWDGAFQWSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000014 664230668 /nfs/dbraw/zinc/23/06/68/664230668.db2.gz RKNKHMJXOMNEGB-AAEUAGOBSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000014 664230672 /nfs/dbraw/zinc/23/06/72/664230672.db2.gz RKNKHMJXOMNEGB-AAEUAGOBSA-N 1 1 319.365 -1.222 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@@H]2O)n1 ZINC000958020551 664231170 /nfs/dbraw/zinc/23/11/70/664231170.db2.gz QOKRNUXZNOBGKB-PWSUYJOCSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2O)n1 ZINC000958020551 664231175 /nfs/dbraw/zinc/23/11/75/664231175.db2.gz QOKRNUXZNOBGKB-PWSUYJOCSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958024678 664231283 /nfs/dbraw/zinc/23/12/83/664231283.db2.gz IFCCPRIXHZWJJU-ONGXEEELSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958024678 664231284 /nfs/dbraw/zinc/23/12/84/664231284.db2.gz IFCCPRIXHZWJJU-ONGXEEELSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958019980 664231467 /nfs/dbraw/zinc/23/14/67/664231467.db2.gz IKTYQSLNHAQXHB-WDEREUQCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958019980 664231470 /nfs/dbraw/zinc/23/14/70/664231470.db2.gz IKTYQSLNHAQXHB-WDEREUQCSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC000958022724 664231508 /nfs/dbraw/zinc/23/15/08/664231508.db2.gz GYJIMDNMYXGUTP-UUIJZJDISA-N 1 1 321.377 -1.047 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3cnnn3C)C2)cn1 ZINC000958035145 664231769 /nfs/dbraw/zinc/23/17/69/664231769.db2.gz ABMGIVNVPYZPGR-YPMHNXCESA-N 1 1 319.369 -1.229 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025048 664231879 /nfs/dbraw/zinc/23/18/79/664231879.db2.gz MMYUFVGVHVRPQX-UWVGGRQHSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025048 664231883 /nfs/dbraw/zinc/23/18/83/664231883.db2.gz MMYUFVGVHVRPQX-UWVGGRQHSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)nn1 ZINC000958035275 664231958 /nfs/dbraw/zinc/23/19/58/664231958.db2.gz CGILXCAFWSWWRR-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)nn1 ZINC000958035275 664231961 /nfs/dbraw/zinc/23/19/61/664231961.db2.gz CGILXCAFWSWWRR-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025049 664232127 /nfs/dbraw/zinc/23/21/27/664232127.db2.gz MMYUFVGVHVRPQX-VHSXEESVSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958025049 664232128 /nfs/dbraw/zinc/23/21/28/664232128.db2.gz MMYUFVGVHVRPQX-VHSXEESVSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958036588 664232800 /nfs/dbraw/zinc/23/28/00/664232800.db2.gz RGGAGHBGOHQRQL-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958036588 664232803 /nfs/dbraw/zinc/23/28/03/664232803.db2.gz RGGAGHBGOHQRQL-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958035674 664233032 /nfs/dbraw/zinc/23/30/32/664233032.db2.gz JFTHTUYLKOUPCU-CMPLNLGQSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958036736 664233735 /nfs/dbraw/zinc/23/37/35/664233735.db2.gz SYWLJUJYVMCBPY-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958036736 664233738 /nfs/dbraw/zinc/23/37/38/664233738.db2.gz SYWLJUJYVMCBPY-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958047165 664233932 /nfs/dbraw/zinc/23/39/32/664233932.db2.gz QHGOSONUYOURKE-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958047165 664233937 /nfs/dbraw/zinc/23/39/37/664233937.db2.gz QHGOSONUYOURKE-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036735 664233972 /nfs/dbraw/zinc/23/39/72/664233972.db2.gz SYWLJUJYVMCBPY-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036735 664233974 /nfs/dbraw/zinc/23/39/74/664233974.db2.gz SYWLJUJYVMCBPY-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC000958036845 664234040 /nfs/dbraw/zinc/23/40/40/664234040.db2.gz VHJGSXNXVBWFOU-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)nn1 ZINC000958036845 664234042 /nfs/dbraw/zinc/23/40/42/664234042.db2.gz VHJGSXNXVBWFOU-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958040559 664234078 /nfs/dbraw/zinc/23/40/78/664234078.db2.gz DMSURNXZJQTMSG-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958040559 664234079 /nfs/dbraw/zinc/23/40/79/664234079.db2.gz DMSURNXZJQTMSG-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC000958036692 664234152 /nfs/dbraw/zinc/23/41/52/664234152.db2.gz SKUYJEWJJBYLFJ-PWSUYJOCSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036734 664234213 /nfs/dbraw/zinc/23/42/13/664234213.db2.gz SYWLJUJYVMCBPY-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036734 664234216 /nfs/dbraw/zinc/23/42/16/664234216.db2.gz SYWLJUJYVMCBPY-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958047163 664234337 /nfs/dbraw/zinc/23/43/37/664234337.db2.gz QHGOSONUYOURKE-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958047163 664234340 /nfs/dbraw/zinc/23/43/40/664234340.db2.gz QHGOSONUYOURKE-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063802 664234487 /nfs/dbraw/zinc/23/44/87/664234487.db2.gz PFBKWLTZVBNGKN-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)nn2)C1 ZINC000958063802 664234491 /nfs/dbraw/zinc/23/44/91/664234491.db2.gz PFBKWLTZVBNGKN-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958062233 664234746 /nfs/dbraw/zinc/23/47/46/664234746.db2.gz FNGNEWULAIDBJM-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958062233 664234750 /nfs/dbraw/zinc/23/47/50/664234750.db2.gz FNGNEWULAIDBJM-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)nn1 ZINC000958061415 664235263 /nfs/dbraw/zinc/23/52/63/664235263.db2.gz BENVSLUBKAENSB-ZYHUDNBSSA-N 1 1 315.349 -1.084 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)nn1 ZINC000958061415 664235268 /nfs/dbraw/zinc/23/52/68/664235268.db2.gz BENVSLUBKAENSB-ZYHUDNBSSA-N 1 1 315.349 -1.084 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)sn1 ZINC000958076872 664235654 /nfs/dbraw/zinc/23/56/54/664235654.db2.gz MGJHPKHGWYBNTH-YUMQZZPRSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)sn1 ZINC000958076872 664235657 /nfs/dbraw/zinc/23/56/57/664235657.db2.gz MGJHPKHGWYBNTH-YUMQZZPRSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC000958073876 664235735 /nfs/dbraw/zinc/23/57/35/664235735.db2.gz NXPASZLRCJSTLK-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ncn1 ZINC000958073876 664235736 /nfs/dbraw/zinc/23/57/36/664235736.db2.gz NXPASZLRCJSTLK-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958076830 664235757 /nfs/dbraw/zinc/23/57/57/664235757.db2.gz LOJDGIGGFAYMAA-UWVGGRQHSA-N 1 1 312.374 -1.557 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)ncn1 ZINC000958073930 664235902 /nfs/dbraw/zinc/23/59/02/664235902.db2.gz OMTCRUCTZZZTRP-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958070299 664236096 /nfs/dbraw/zinc/23/60/96/664236096.db2.gz ZQJKZWBOAAPDSG-ONGXEEELSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958070299 664236097 /nfs/dbraw/zinc/23/60/97/664236097.db2.gz ZQJKZWBOAAPDSG-ONGXEEELSA-N 1 1 322.369 -1.950 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073682 664236110 /nfs/dbraw/zinc/23/61/10/664236110.db2.gz MPIDZOVUAJUSTC-CABZTGNLSA-N 1 1 322.369 -1.489 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073682 664236111 /nfs/dbraw/zinc/23/61/11/664236111.db2.gz MPIDZOVUAJUSTC-CABZTGNLSA-N 1 1 322.369 -1.489 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958069208 664236137 /nfs/dbraw/zinc/23/61/37/664236137.db2.gz ICLCUTKFGZWTRZ-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958069208 664236138 /nfs/dbraw/zinc/23/61/38/664236138.db2.gz ICLCUTKFGZWTRZ-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081608 664236247 /nfs/dbraw/zinc/23/62/47/664236247.db2.gz QTOPNEMNQVBLBV-KWQFWETISA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc3[nH]cnc32)C1 ZINC000958081608 664236253 /nfs/dbraw/zinc/23/62/53/664236253.db2.gz QTOPNEMNQVBLBV-KWQFWETISA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100519 664236631 /nfs/dbraw/zinc/23/66/31/664236631.db2.gz CAZQLUUFWCBBPK-WCBMZHEXSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100519 664236634 /nfs/dbraw/zinc/23/66/34/664236634.db2.gz CAZQLUUFWCBBPK-WCBMZHEXSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097414 664236689 /nfs/dbraw/zinc/23/66/89/664236689.db2.gz YDHKJBXLFYCDRF-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097414 664236692 /nfs/dbraw/zinc/23/66/92/664236692.db2.gz YDHKJBXLFYCDRF-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958092690 664236866 /nfs/dbraw/zinc/23/68/66/664236866.db2.gz WWNDMHIKSNTYIC-PWSUYJOCSA-N 1 1 320.353 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097224 664236881 /nfs/dbraw/zinc/23/68/81/664236881.db2.gz VNVBBSHEGPBOPC-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097224 664236886 /nfs/dbraw/zinc/23/68/86/664236886.db2.gz VNVBBSHEGPBOPC-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095845 664237110 /nfs/dbraw/zinc/23/71/10/664237110.db2.gz CPODPNNTXYFZIA-ONGXEEELSA-N 1 1 306.384 -1.914 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC000958095845 664237118 /nfs/dbraw/zinc/23/71/18/664237118.db2.gz CPODPNNTXYFZIA-ONGXEEELSA-N 1 1 306.384 -1.914 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958096117 664237209 /nfs/dbraw/zinc/23/72/09/664237209.db2.gz IEJQZIWQGDUARB-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958096117 664237213 /nfs/dbraw/zinc/23/72/13/664237213.db2.gz IEJQZIWQGDUARB-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cccn2nnnc12 ZINC000958091449 664237269 /nfs/dbraw/zinc/23/72/69/664237269.db2.gz GXGAJYPFLWUMRF-ZYHUDNBSSA-N 1 1 320.353 -1.471 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958096114 664237385 /nfs/dbraw/zinc/23/73/85/664237385.db2.gz IEJQZIWQGDUARB-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958096114 664237386 /nfs/dbraw/zinc/23/73/86/664237386.db2.gz IEJQZIWQGDUARB-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2[nH]cnc21 ZINC000958105814 664237587 /nfs/dbraw/zinc/23/75/87/664237587.db2.gz MEEYVRXFWWSDIQ-ONGXEEELSA-N 1 1 305.338 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121582 664238007 /nfs/dbraw/zinc/23/80/07/664238007.db2.gz HKSUECJZWBYGGP-GXFFZTMASA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121582 664238009 /nfs/dbraw/zinc/23/80/09/664238009.db2.gz HKSUECJZWBYGGP-GXFFZTMASA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122277 664238022 /nfs/dbraw/zinc/23/80/22/664238022.db2.gz SVSVPRRTPFQIRU-BXKDBHETSA-N 1 1 320.353 -1.242 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn2c1OCCC2 ZINC000958122155 664238046 /nfs/dbraw/zinc/23/80/46/664238046.db2.gz QSFLZJKNOKREKW-RYUDHWBXSA-N 1 1 324.381 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126961 664238508 /nfs/dbraw/zinc/23/85/08/664238508.db2.gz UPAWLGOCPDXUMB-GWCFXTLKSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126961 664238513 /nfs/dbraw/zinc/23/85/13/664238513.db2.gz UPAWLGOCPDXUMB-GWCFXTLKSA-N 1 1 321.381 -1.402 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1C1CC1 ZINC000958126954 664238676 /nfs/dbraw/zinc/23/86/76/664238676.db2.gz UKNUWMIZIOEHSJ-GXFFZTMASA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1C1CC1 ZINC000958126954 664238679 /nfs/dbraw/zinc/23/86/79/664238679.db2.gz UKNUWMIZIOEHSJ-GXFFZTMASA-N 1 1 321.381 -1.195 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958126630 664238878 /nfs/dbraw/zinc/23/88/78/664238878.db2.gz RSSIMWQLGPSEFM-JGVFFNPUSA-N 1 1 315.761 -1.121 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958126630 664238880 /nfs/dbraw/zinc/23/88/80/664238880.db2.gz RSSIMWQLGPSEFM-JGVFFNPUSA-N 1 1 315.761 -1.121 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149587 664239371 /nfs/dbraw/zinc/23/93/71/664239371.db2.gz UCZSBTCRNTYPCD-WCBMZHEXSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149587 664239374 /nfs/dbraw/zinc/23/93/74/664239374.db2.gz UCZSBTCRNTYPCD-WCBMZHEXSA-N 1 1 319.325 -2.139 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2ccncc12 ZINC000958145290 664239502 /nfs/dbraw/zinc/23/95/02/664239502.db2.gz JEMNLBOQBCGUKA-GWCFXTLKSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC000958148581 664239743 /nfs/dbraw/zinc/23/97/43/664239743.db2.gz JALNXGPYGWORSE-ZYHUDNBSSA-N 1 1 310.354 -1.815 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC000958149605 664239767 /nfs/dbraw/zinc/23/97/67/664239767.db2.gz UMYCQLSYGJVVOO-CMPLNLGQSA-N 1 1 320.353 -1.242 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC000958152057 664240144 /nfs/dbraw/zinc/24/01/44/664240144.db2.gz NEJZEARDVNBTST-CMPLNLGQSA-N 1 1 310.354 -1.572 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC000958152528 664240237 /nfs/dbraw/zinc/24/02/37/664240237.db2.gz PPQTXQAADWLWMB-XBWDGYHZSA-N 1 1 305.338 -1.023 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958150126 664240384 /nfs/dbraw/zinc/24/03/84/664240384.db2.gz YWNINQAXLZFMEI-JQWIXIFHSA-N 1 1 310.354 -1.551 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC000958152060 664240458 /nfs/dbraw/zinc/24/04/58/664240458.db2.gz NEJZEARDVNBTST-ZYHUDNBSSA-N 1 1 310.354 -1.572 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC000958152518 664240476 /nfs/dbraw/zinc/24/04/76/664240476.db2.gz PPQTXQAADWLWMB-APOZVJGGSA-N 1 1 305.338 -1.023 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c(cn1)OCCO2 ZINC000958150152 664240497 /nfs/dbraw/zinc/24/04/97/664240497.db2.gz ZIFIYKAYZVTZQB-ZYHUDNBSSA-N 1 1 323.349 -1.132 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)C1=COCCO1 ZINC000958155755 664241062 /nfs/dbraw/zinc/24/10/62/664241062.db2.gz HEGYTQJXXRGKSN-PJXYFTJBSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958161237 664241204 /nfs/dbraw/zinc/24/12/04/664241204.db2.gz ICGHXMFLVWLITI-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958161237 664241206 /nfs/dbraw/zinc/24/12/06/664241206.db2.gz ICGHXMFLVWLITI-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1CCCO1 ZINC000958157100 664241248 /nfs/dbraw/zinc/24/12/48/664241248.db2.gz NPPCKAALHVEFIK-SRRSOLGSSA-N 1 1 322.365 -1.236 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162872 664241354 /nfs/dbraw/zinc/24/13/54/664241354.db2.gz XMVSUMDLPBVIDM-DTWKUNHWSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162872 664241356 /nfs/dbraw/zinc/24/13/56/664241356.db2.gz XMVSUMDLPBVIDM-DTWKUNHWSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958157251 664241443 /nfs/dbraw/zinc/24/14/43/664241443.db2.gz MUSJQOWHGNSCNV-NXEZZACHSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958157251 664241448 /nfs/dbraw/zinc/24/14/48/664241448.db2.gz MUSJQOWHGNSCNV-NXEZZACHSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162005 664241487 /nfs/dbraw/zinc/24/14/87/664241487.db2.gz PECGLNOCANERDY-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162005 664241491 /nfs/dbraw/zinc/24/14/91/664241491.db2.gz PECGLNOCANERDY-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958164388 664241567 /nfs/dbraw/zinc/24/15/67/664241567.db2.gz LDPDDDHQQHIPNV-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958164388 664241568 /nfs/dbraw/zinc/24/15/68/664241568.db2.gz LDPDDDHQQHIPNV-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1C ZINC000958179574 664241741 /nfs/dbraw/zinc/24/17/41/664241741.db2.gz OZSILHVRHFGLSZ-GHMZBOCLSA-N 1 1 310.354 -1.186 20 0 DAADMO COCCn1nccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958172141 664241756 /nfs/dbraw/zinc/24/17/56/664241756.db2.gz QDFIPWKPOCUKCQ-AAEUAGOBSA-N 1 1 312.370 -1.456 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n[nH]cc2c1 ZINC000958174668 664241775 /nfs/dbraw/zinc/24/17/75/664241775.db2.gz GOKGSFWNURPQKY-NEPJUHHUSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180042 664241840 /nfs/dbraw/zinc/24/18/40/664241840.db2.gz XJDDLPNKUAOUFA-GZMMTYOYSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958180042 664241842 /nfs/dbraw/zinc/24/18/42/664241842.db2.gz XJDDLPNKUAOUFA-GZMMTYOYSA-N 1 1 318.337 -1.534 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nc[nH]c2n1 ZINC000958179483 664241870 /nfs/dbraw/zinc/24/18/70/664241870.db2.gz NQWXRGUNUWPVMN-CABZTGNLSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)[C@H](O)C1 ZINC000958180045 664241880 /nfs/dbraw/zinc/24/18/80/664241880.db2.gz XJDDLPNKUAOUFA-LDYMZIIASA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)[C@H](O)C1 ZINC000958180045 664241882 /nfs/dbraw/zinc/24/18/82/664241882.db2.gz XJDDLPNKUAOUFA-LDYMZIIASA-N 1 1 318.337 -1.534 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958174515 664241977 /nfs/dbraw/zinc/24/19/77/664241977.db2.gz FQQOQCHLYRTDNW-WPRPVWTQSA-N 1 1 311.342 -1.684 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958174515 664241979 /nfs/dbraw/zinc/24/19/79/664241979.db2.gz FQQOQCHLYRTDNW-WPRPVWTQSA-N 1 1 311.342 -1.684 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC000958179587 664242015 /nfs/dbraw/zinc/24/20/15/664242015.db2.gz PFFQHFLMYBPKIU-JQWIXIFHSA-N 1 1 310.354 -1.572 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958179156 664242151 /nfs/dbraw/zinc/24/21/51/664242151.db2.gz IXAAYFQKAGSVOM-PWSUYJOCSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958179156 664242153 /nfs/dbraw/zinc/24/21/53/664242153.db2.gz IXAAYFQKAGSVOM-PWSUYJOCSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC000958179588 664242156 /nfs/dbraw/zinc/24/21/56/664242156.db2.gz PFFQHFLMYBPKIU-PWSUYJOCSA-N 1 1 310.354 -1.572 20 0 DAADMO COCCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958172144 664242262 /nfs/dbraw/zinc/24/22/62/664242262.db2.gz QDFIPWKPOCUKCQ-YPMHNXCESA-N 1 1 312.370 -1.456 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958174513 664242304 /nfs/dbraw/zinc/24/23/04/664242304.db2.gz FQQOQCHLYRTDNW-SCZZXKLOSA-N 1 1 311.342 -1.684 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958174513 664242306 /nfs/dbraw/zinc/24/23/06/664242306.db2.gz FQQOQCHLYRTDNW-SCZZXKLOSA-N 1 1 311.342 -1.684 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958179155 664242332 /nfs/dbraw/zinc/24/23/32/664242332.db2.gz IXAAYFQKAGSVOM-JQWIXIFHSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958179155 664242335 /nfs/dbraw/zinc/24/23/35/664242335.db2.gz IXAAYFQKAGSVOM-JQWIXIFHSA-N 1 1 322.365 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182875 664242628 /nfs/dbraw/zinc/24/26/28/664242628.db2.gz HVYCAMAWQXURAQ-NWDGAFQWSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182875 664242632 /nfs/dbraw/zinc/24/26/32/664242632.db2.gz HVYCAMAWQXURAQ-NWDGAFQWSA-N 1 1 322.365 -1.846 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958184524 664242760 /nfs/dbraw/zinc/24/27/60/664242760.db2.gz CJJGNIXMIPWDKC-DEKYYXRVSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC000958182877 664242829 /nfs/dbraw/zinc/24/28/29/664242829.db2.gz HVYCAMAWQXURAQ-VXGBXAGGSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(C)c(=O)c2)[C@H](O)C1 ZINC000958182877 664242830 /nfs/dbraw/zinc/24/28/30/664242830.db2.gz HVYCAMAWQXURAQ-VXGBXAGGSA-N 1 1 322.365 -1.846 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958184523 664242850 /nfs/dbraw/zinc/24/28/50/664242850.db2.gz CJJGNIXMIPWDKC-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958181236 664242963 /nfs/dbraw/zinc/24/29/63/664242963.db2.gz IMOZIQZUQAUASO-MIZYBKAJSA-N 1 1 305.342 -2.002 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958181634 664242971 /nfs/dbraw/zinc/24/29/71/664242971.db2.gz OMHADWVCOHTTJJ-PJXYFTJBSA-N 1 1 317.357 -1.469 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958181634 664242974 /nfs/dbraw/zinc/24/29/74/664242974.db2.gz OMHADWVCOHTTJJ-PJXYFTJBSA-N 1 1 317.357 -1.469 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958184869 664243092 /nfs/dbraw/zinc/24/30/92/664243092.db2.gz ILZYPBIADKBGPS-KLBPJQLPSA-N 1 1 305.342 -2.050 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958190083 664243238 /nfs/dbraw/zinc/24/32/38/664243238.db2.gz APAFYEVDMLBJKA-OLZOCXBDSA-N 1 1 307.350 -1.200 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)C1=O ZINC000958184903 664243262 /nfs/dbraw/zinc/24/32/62/664243262.db2.gz JAEKVOZOTXDERX-OZTPJHRESA-N 1 1 320.393 -1.114 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1Cl ZINC000958187172 664243372 /nfs/dbraw/zinc/24/33/72/664243372.db2.gz MQBMRNLLJUBSGU-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1Cl ZINC000958187172 664243376 /nfs/dbraw/zinc/24/33/76/664243376.db2.gz MQBMRNLLJUBSGU-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958190862 664243402 /nfs/dbraw/zinc/24/34/02/664243402.db2.gz OJUVCXKHNHFUGC-GWCFXTLKSA-N 1 1 312.370 -1.419 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958190085 664243435 /nfs/dbraw/zinc/24/34/35/664243435.db2.gz APAFYEVDMLBJKA-STQMWFEESA-N 1 1 307.350 -1.200 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3ccccn23)[C@H](O)C1 ZINC000958191057 664243522 /nfs/dbraw/zinc/24/35/22/664243522.db2.gz RVMLVKYRIQATNX-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3ccccn23)[C@H](O)C1 ZINC000958191057 664243526 /nfs/dbraw/zinc/24/35/26/664243526.db2.gz RVMLVKYRIQATNX-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958195946 664244008 /nfs/dbraw/zinc/24/40/08/664244008.db2.gz MUITULDIYGYUIH-GXFFZTMASA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958195946 664244011 /nfs/dbraw/zinc/24/40/11/664244011.db2.gz MUITULDIYGYUIH-GXFFZTMASA-N 1 1 321.381 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000958196795 664244029 /nfs/dbraw/zinc/24/40/29/664244029.db2.gz YHHJKSSQGSDRBM-MWLCHTKSSA-N 1 1 321.337 -1.322 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958202135 664244066 /nfs/dbraw/zinc/24/40/66/664244066.db2.gz ADUHCEUPJLBPTG-RYUDHWBXSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958202135 664244070 /nfs/dbraw/zinc/24/40/70/664244070.db2.gz ADUHCEUPJLBPTG-RYUDHWBXSA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958202665 664244142 /nfs/dbraw/zinc/24/41/42/664244142.db2.gz JVDUAXDMNPCGRT-GHMZBOCLSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958202665 664244147 /nfs/dbraw/zinc/24/41/47/664244147.db2.gz JVDUAXDMNPCGRT-GHMZBOCLSA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn(CCF)c1 ZINC000958200280 664244226 /nfs/dbraw/zinc/24/42/26/664244226.db2.gz PFGTZOIPBPSAMH-ZYHUDNBSSA-N 1 1 300.334 -1.133 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)no1 ZINC000958199925 664244246 /nfs/dbraw/zinc/24/42/46/664244246.db2.gz NCRJVJOQSDNDFQ-GWCFXTLKSA-N 1 1 312.370 -1.249 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958203760 664244636 /nfs/dbraw/zinc/24/46/36/664244636.db2.gz UTFBDCWDXZUKMX-BXKDBHETSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958203760 664244640 /nfs/dbraw/zinc/24/46/40/664244640.db2.gz UTFBDCWDXZUKMX-BXKDBHETSA-N 1 1 309.370 -1.259 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203713 664245074 /nfs/dbraw/zinc/24/50/74/664245074.db2.gz UFPNUPRQXLDQIJ-NEPJUHHUSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203713 664245076 /nfs/dbraw/zinc/24/50/76/664245076.db2.gz UFPNUPRQXLDQIJ-NEPJUHHUSA-N 1 1 322.365 -1.846 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205709 664245090 /nfs/dbraw/zinc/24/50/90/664245090.db2.gz DBCQYLAJPYNLHD-CABZTGNLSA-N 1 1 321.381 -1.204 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000958205709 664245092 /nfs/dbraw/zinc/24/50/92/664245092.db2.gz DBCQYLAJPYNLHD-CABZTGNLSA-N 1 1 321.381 -1.204 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958203465 664245417 /nfs/dbraw/zinc/24/54/17/664245417.db2.gz QPYXFVGYUMDOQI-CHWSQXEVSA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958203468 664245494 /nfs/dbraw/zinc/24/54/94/664245494.db2.gz QPYXFVGYUMDOQI-STQMWFEESA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]n3)C2)cn1 ZINC000958205566 664245556 /nfs/dbraw/zinc/24/55/56/664245556.db2.gz ATDUXLDWMBAPET-WCQYABFASA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205566 664245559 /nfs/dbraw/zinc/24/55/59/664245559.db2.gz ATDUXLDWMBAPET-WCQYABFASA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205566 664245563 /nfs/dbraw/zinc/24/55/63/664245563.db2.gz ATDUXLDWMBAPET-WCQYABFASA-N 1 1 319.369 -1.197 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958210826 664246703 /nfs/dbraw/zinc/24/67/03/664246703.db2.gz SMZPXUHANOGETC-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958210826 664246704 /nfs/dbraw/zinc/24/67/04/664246704.db2.gz SMZPXUHANOGETC-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210617 664247431 /nfs/dbraw/zinc/24/74/31/664247431.db2.gz OYMSIAMVJCJKPA-GZMMTYOYSA-N 1 1 307.354 -1.594 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210617 664247435 /nfs/dbraw/zinc/24/74/35/664247435.db2.gz OYMSIAMVJCJKPA-GZMMTYOYSA-N 1 1 307.354 -1.594 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2c1OCCC2 ZINC000958220510 664247754 /nfs/dbraw/zinc/24/77/54/664247754.db2.gz ZJTZKHLMFBZPMQ-CMPLNLGQSA-N 1 1 310.354 -1.320 20 0 DAADMO CCOc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958220460 664247780 /nfs/dbraw/zinc/24/77/80/664247780.db2.gz YTHMXKTWJWZZAL-WCBMZHEXSA-N 1 1 312.326 -1.419 20 0 DAADMO CCOc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)co1 ZINC000958220460 664247783 /nfs/dbraw/zinc/24/77/83/664247783.db2.gz YTHMXKTWJWZZAL-WCBMZHEXSA-N 1 1 312.326 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222428 664247864 /nfs/dbraw/zinc/24/78/64/664247864.db2.gz CPQPMZDPGFZZDT-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222428 664247865 /nfs/dbraw/zinc/24/78/65/664247865.db2.gz CPQPMZDPGFZZDT-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccn3nccc23)[C@H](O)C1 ZINC000958215877 664247869 /nfs/dbraw/zinc/24/78/69/664247869.db2.gz YFPSVWWAKXDVAR-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccn3nccc23)[C@H](O)C1 ZINC000958215877 664247872 /nfs/dbraw/zinc/24/78/72/664247872.db2.gz YFPSVWWAKXDVAR-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219610 664247985 /nfs/dbraw/zinc/24/79/85/664247985.db2.gz KWSNNELBKFCZSK-WCBMZHEXSA-N 1 1 318.337 -1.583 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219610 664247988 /nfs/dbraw/zinc/24/79/88/664247988.db2.gz KWSNNELBKFCZSK-WCBMZHEXSA-N 1 1 318.337 -1.583 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC000958214923 664248208 /nfs/dbraw/zinc/24/82/08/664248208.db2.gz OPZYVSAGTJQPJS-CABZTGNLSA-N 1 1 320.349 -1.409 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958218199 664248221 /nfs/dbraw/zinc/24/82/21/664248221.db2.gz BCIUWDSKNBDOKJ-CMPLNLGQSA-N 1 1 310.354 -1.861 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ncnc2[nH]ccc21 ZINC000958220169 664248334 /nfs/dbraw/zinc/24/83/34/664248334.db2.gz ULQWFIRHBZHKFB-ONGXEEELSA-N 1 1 305.338 -1.076 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219611 664248393 /nfs/dbraw/zinc/24/83/93/664248393.db2.gz KWSNNELBKFCZSK-WPRPVWTQSA-N 1 1 318.337 -1.583 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC000958219611 664248396 /nfs/dbraw/zinc/24/83/96/664248396.db2.gz KWSNNELBKFCZSK-WPRPVWTQSA-N 1 1 318.337 -1.583 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958229091 664248934 /nfs/dbraw/zinc/24/89/34/664248934.db2.gz XWAAHGRUWGVGBS-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958229091 664248936 /nfs/dbraw/zinc/24/89/36/664248936.db2.gz XWAAHGRUWGVGBS-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc2ncnn21 ZINC000958229061 664249009 /nfs/dbraw/zinc/24/90/09/664249009.db2.gz XLWSMDRTFBTMMP-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnnc2C)[C@H](O)C1 ZINC000958223755 664249067 /nfs/dbraw/zinc/24/90/67/664249067.db2.gz QFJSQEVCYYSXOL-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnnc2C)[C@H](O)C1 ZINC000958223755 664249070 /nfs/dbraw/zinc/24/90/70/664249070.db2.gz QFJSQEVCYYSXOL-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240132 664249984 /nfs/dbraw/zinc/24/99/84/664249984.db2.gz XZAGALWADLPFGY-SFYZADRCSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240132 664249988 /nfs/dbraw/zinc/24/99/88/664249988.db2.gz XZAGALWADLPFGY-SFYZADRCSA-N 1 1 310.310 -2.114 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000958239494 664250020 /nfs/dbraw/zinc/25/00/20/664250020.db2.gz PTUPOEZZHZMROJ-AAEUAGOBSA-N 1 1 324.381 -1.068 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)o1 ZINC000958239391 664250044 /nfs/dbraw/zinc/25/00/44/664250044.db2.gz OCPKYZSPAHAOTO-UWVGGRQHSA-N 1 1 311.338 -1.217 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1C ZINC000958238536 664250046 /nfs/dbraw/zinc/25/00/46/664250046.db2.gz ACWCSBCMWTVIFZ-PWSUYJOCSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1C ZINC000958243028 664250206 /nfs/dbraw/zinc/25/02/06/664250206.db2.gz HHBSIQHRQZDVML-NEPJUHHUSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1C ZINC000958243028 664250207 /nfs/dbraw/zinc/25/02/07/664250207.db2.gz HHBSIQHRQZDVML-NEPJUHHUSA-N 1 1 321.381 -1.090 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1Cl ZINC000958242149 664250235 /nfs/dbraw/zinc/25/02/35/664250235.db2.gz AIXJFQFBGZUWRC-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1Cl ZINC000958242149 664250236 /nfs/dbraw/zinc/25/02/36/664250236.db2.gz AIXJFQFBGZUWRC-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1C ZINC000958243033 664250299 /nfs/dbraw/zinc/25/02/99/664250299.db2.gz HHBSIQHRQZDVML-NWDGAFQWSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1C ZINC000958243033 664250304 /nfs/dbraw/zinc/25/03/04/664250304.db2.gz HHBSIQHRQZDVML-NWDGAFQWSA-N 1 1 321.381 -1.090 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958243589 664250491 /nfs/dbraw/zinc/25/04/91/664250491.db2.gz KSWHPIOBDNJMBM-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958243589 664250494 /nfs/dbraw/zinc/25/04/94/664250494.db2.gz KSWHPIOBDNJMBM-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240130 664250537 /nfs/dbraw/zinc/25/05/37/664250537.db2.gz XZAGALWADLPFGY-JGVFFNPUSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240130 664250539 /nfs/dbraw/zinc/25/05/39/664250539.db2.gz XZAGALWADLPFGY-JGVFFNPUSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247859 664250609 /nfs/dbraw/zinc/25/06/09/664250609.db2.gz CNKOETFHSYVHEL-IONNQARKSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247859 664250611 /nfs/dbraw/zinc/25/06/11/664250611.db2.gz CNKOETFHSYVHEL-IONNQARKSA-N 1 1 319.325 -2.139 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248258 664250658 /nfs/dbraw/zinc/25/06/58/664250658.db2.gz HFYDHDRHRQPUSZ-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248258 664250661 /nfs/dbraw/zinc/25/06/61/664250661.db2.gz HFYDHDRHRQPUSZ-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC000958255452 664250852 /nfs/dbraw/zinc/25/08/52/664250852.db2.gz YKOQFUGMWWCANW-PWSUYJOCSA-N 1 1 310.354 -1.320 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC000958254115 664250969 /nfs/dbraw/zinc/25/09/69/664250969.db2.gz MNQQUKRVINFDRZ-MNOVXSKESA-N 1 1 306.326 -1.861 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958253645 664251035 /nfs/dbraw/zinc/25/10/35/664251035.db2.gz IZUHRQJIWIEFJD-NEPJUHHUSA-N 1 1 320.353 -1.207 20 0 DAADMO COc1coc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC000958262287 664251083 /nfs/dbraw/zinc/25/10/83/664251083.db2.gz IPWVXLWJMXCPLM-KOLCDFICSA-N 1 1 312.322 -1.337 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC000958254116 664251099 /nfs/dbraw/zinc/25/10/99/664251099.db2.gz MNQQUKRVINFDRZ-QWRGUYRKSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2nccn2c1 ZINC000958254379 664251175 /nfs/dbraw/zinc/25/11/75/664251175.db2.gz OOWDKKUMZVSKNB-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC000958255453 664251204 /nfs/dbraw/zinc/25/12/04/664251204.db2.gz YKOQFUGMWWCANW-ZYHUDNBSSA-N 1 1 310.354 -1.320 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC000958254602 664251338 /nfs/dbraw/zinc/25/13/38/664251338.db2.gz QNDLKBAOHLWCFQ-RYUDHWBXSA-N 1 1 320.353 -1.471 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC000958263059 664251370 /nfs/dbraw/zinc/25/13/70/664251370.db2.gz NASCKXONIHLIDU-JOYOIKCWSA-N 1 1 311.338 -1.602 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958250367 664251381 /nfs/dbraw/zinc/25/13/81/664251381.db2.gz ZMWPYDWOLCQUKP-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ncc1=O ZINC000958274117 664251612 /nfs/dbraw/zinc/25/16/12/664251612.db2.gz VCNRXYUGLYNOOR-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ncc1=O ZINC000958274117 664251613 /nfs/dbraw/zinc/25/16/13/664251613.db2.gz VCNRXYUGLYNOOR-WPRPVWTQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC000958267888 664252007 /nfs/dbraw/zinc/25/20/07/664252007.db2.gz FWVDWYJNCCLFNB-XQHKEYJVSA-N 1 1 307.354 -1.223 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC000958267888 664252010 /nfs/dbraw/zinc/25/20/10/664252010.db2.gz FWVDWYJNCCLFNB-XQHKEYJVSA-N 1 1 307.354 -1.223 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958281666 664252374 /nfs/dbraw/zinc/25/23/74/664252374.db2.gz OHFNHIOUPQSDQX-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958281666 664252376 /nfs/dbraw/zinc/25/23/76/664252376.db2.gz OHFNHIOUPQSDQX-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)co1 ZINC000958281058 664252427 /nfs/dbraw/zinc/25/24/27/664252427.db2.gz GLMLNOUGYAPYIC-GHMZBOCLSA-N 1 1 311.338 -1.217 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290745 664252675 /nfs/dbraw/zinc/25/26/75/664252675.db2.gz GFSWPWMGCARZNN-KOLCDFICSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290745 664252678 /nfs/dbraw/zinc/25/26/78/664252678.db2.gz GFSWPWMGCARZNN-KOLCDFICSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)NC1CC1 ZINC000958292176 664252689 /nfs/dbraw/zinc/25/26/89/664252689.db2.gz HWSSSFLPVARKDY-CZXHOFHRSA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)NC1CC1 ZINC000958292176 664252691 /nfs/dbraw/zinc/25/26/91/664252691.db2.gz HWSSSFLPVARKDY-CZXHOFHRSA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287178 664252848 /nfs/dbraw/zinc/25/28/48/664252848.db2.gz AMMHCEIBQWXZDU-MNOVXSKESA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287178 664252853 /nfs/dbraw/zinc/25/28/53/664252853.db2.gz AMMHCEIBQWXZDU-MNOVXSKESA-N 1 1 308.338 -1.071 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC000958298043 664253145 /nfs/dbraw/zinc/25/31/45/664253145.db2.gz XINSFNPDZQDYHQ-VHSXEESVSA-N 1 1 320.357 -1.264 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1COCCO1 ZINC000958293117 664253194 /nfs/dbraw/zinc/25/31/94/664253194.db2.gz SRUSNRACCTXSLR-XQHKEYJVSA-N 1 1 324.381 -1.527 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958300846 664253231 /nfs/dbraw/zinc/25/32/31/664253231.db2.gz XDPCHPKETUQLCL-MNOVXSKESA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958300846 664253234 /nfs/dbraw/zinc/25/32/34/664253234.db2.gz XDPCHPKETUQLCL-MNOVXSKESA-N 1 1 322.365 -1.088 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC000958298044 664253284 /nfs/dbraw/zinc/25/32/84/664253284.db2.gz XINSFNPDZQDYHQ-ZJUUUORDSA-N 1 1 320.357 -1.264 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958300173 664253360 /nfs/dbraw/zinc/25/33/60/664253360.db2.gz MDUNIZSJTSUADH-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958300173 664253364 /nfs/dbraw/zinc/25/33/64/664253364.db2.gz MDUNIZSJTSUADH-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958300845 664253399 /nfs/dbraw/zinc/25/33/99/664253399.db2.gz XDPCHPKETUQLCL-GHMZBOCLSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958300845 664253402 /nfs/dbraw/zinc/25/34/02/664253402.db2.gz XDPCHPKETUQLCL-GHMZBOCLSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958300174 664253469 /nfs/dbraw/zinc/25/34/69/664253469.db2.gz MDUNIZSJTSUADH-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958300174 664253471 /nfs/dbraw/zinc/25/34/71/664253471.db2.gz MDUNIZSJTSUADH-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958296150 664253498 /nfs/dbraw/zinc/25/34/98/664253498.db2.gz CLOGMUAUDPSZNZ-MNOVXSKESA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958296150 664253500 /nfs/dbraw/zinc/25/35/00/664253500.db2.gz CLOGMUAUDPSZNZ-MNOVXSKESA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958300590 664253516 /nfs/dbraw/zinc/25/35/16/664253516.db2.gz SKBRAHADWSQKKD-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958300590 664253517 /nfs/dbraw/zinc/25/35/17/664253517.db2.gz SKBRAHADWSQKKD-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958309005 664254314 /nfs/dbraw/zinc/25/43/14/664254314.db2.gz FGMGLEMGRMYCNV-CMPLNLGQSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC000958313315 664254681 /nfs/dbraw/zinc/25/46/81/664254681.db2.gz MREZSCKAGLQNLN-NWDGAFQWSA-N 1 1 324.381 -1.588 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]c1 ZINC000958311072 664254751 /nfs/dbraw/zinc/25/47/51/664254751.db2.gz HXCJYILUSFKZEJ-MIZYBKAJSA-N 1 1 303.322 -1.125 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315859 664254773 /nfs/dbraw/zinc/25/47/73/664254773.db2.gz BTEXTIQAVMTBSN-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)on1 ZINC000958315859 664254777 /nfs/dbraw/zinc/25/47/77/664254777.db2.gz BTEXTIQAVMTBSN-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313954 664255062 /nfs/dbraw/zinc/25/50/62/664255062.db2.gz XQUNCNMXKZWBCD-GWCFXTLKSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(OC)ccn2)C1 ZINC000958313954 664255065 /nfs/dbraw/zinc/25/50/65/664255065.db2.gz XQUNCNMXKZWBCD-GWCFXTLKSA-N 1 1 322.365 -1.141 20 0 DAADMO COc1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958314029 664255082 /nfs/dbraw/zinc/25/50/82/664255082.db2.gz YKVWDKKPALKGEH-SKDRFNHKSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958314029 664255086 /nfs/dbraw/zinc/25/50/86/664255086.db2.gz YKVWDKKPALKGEH-SKDRFNHKSA-N 1 1 308.338 -1.402 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958313744 664255412 /nfs/dbraw/zinc/25/54/12/664255412.db2.gz VJIQPJASAQWSSM-MWLCHTKSSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958313744 664255419 /nfs/dbraw/zinc/25/54/19/664255419.db2.gz VJIQPJASAQWSSM-MWLCHTKSSA-N 1 1 322.369 -1.586 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316770 664255895 /nfs/dbraw/zinc/25/58/95/664255895.db2.gz NSCVANCCZPDOJP-IUCAKERBSA-N 1 1 311.346 -2.679 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316770 664255897 /nfs/dbraw/zinc/25/58/97/664255897.db2.gz NSCVANCCZPDOJP-IUCAKERBSA-N 1 1 311.346 -2.679 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958316850 664256097 /nfs/dbraw/zinc/25/60/97/664256097.db2.gz OUPZHSVZNKOUMJ-VHSXEESVSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958316850 664256100 /nfs/dbraw/zinc/25/61/00/664256100.db2.gz OUPZHSVZNKOUMJ-VHSXEESVSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)c1=O ZINC000958316981 664256113 /nfs/dbraw/zinc/25/61/13/664256113.db2.gz QIZIUROHSQINIZ-SCZZXKLOSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)c1=O ZINC000958316981 664256117 /nfs/dbraw/zinc/25/61/17/664256117.db2.gz QIZIUROHSQINIZ-SCZZXKLOSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)c1=O ZINC000958316983 664256218 /nfs/dbraw/zinc/25/62/18/664256218.db2.gz QIZIUROHSQINIZ-WPRPVWTQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)c1=O ZINC000958316983 664256222 /nfs/dbraw/zinc/25/62/22/664256222.db2.gz QIZIUROHSQINIZ-WPRPVWTQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC000958317177 664256349 /nfs/dbraw/zinc/25/63/49/664256349.db2.gz UCQWAGCMEXRLHO-JQWIXIFHSA-N 1 1 322.365 -1.082 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316768 664256364 /nfs/dbraw/zinc/25/63/64/664256364.db2.gz NSCVANCCZPDOJP-BDAKNGLRSA-N 1 1 311.346 -2.679 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316768 664256372 /nfs/dbraw/zinc/25/63/72/664256372.db2.gz NSCVANCCZPDOJP-BDAKNGLRSA-N 1 1 311.346 -2.679 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316325 664256381 /nfs/dbraw/zinc/25/63/81/664256381.db2.gz GWYNQEZSGURHSQ-MNOVXSKESA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316325 664256385 /nfs/dbraw/zinc/25/63/85/664256385.db2.gz GWYNQEZSGURHSQ-MNOVXSKESA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)c1=O ZINC000958316980 664256476 /nfs/dbraw/zinc/25/64/76/664256476.db2.gz QIZIUROHSQINIZ-PSASIEDQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)c1=O ZINC000958316980 664256478 /nfs/dbraw/zinc/25/64/78/664256478.db2.gz QIZIUROHSQINIZ-PSASIEDQSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316393 664256482 /nfs/dbraw/zinc/25/64/82/664256482.db2.gz HUKMRYZRODTBDP-KOLCDFICSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316393 664256483 /nfs/dbraw/zinc/25/64/83/664256483.db2.gz HUKMRYZRODTBDP-KOLCDFICSA-N 1 1 320.357 -1.834 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319351 664256935 /nfs/dbraw/zinc/25/69/35/664256935.db2.gz KWAOUGSXECDHAM-IGMMHVEYSA-N 1 1 323.393 -1.434 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319351 664256939 /nfs/dbraw/zinc/25/69/39/664256939.db2.gz KWAOUGSXECDHAM-IGMMHVEYSA-N 1 1 323.393 -1.434 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321130 664257511 /nfs/dbraw/zinc/25/75/11/664257511.db2.gz SOOURBMESHZERD-BIGJJFBESA-N 1 1 323.393 -1.480 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321130 664257514 /nfs/dbraw/zinc/25/75/14/664257514.db2.gz SOOURBMESHZERD-BIGJJFBESA-N 1 1 323.393 -1.480 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318545 664257605 /nfs/dbraw/zinc/25/76/05/664257605.db2.gz FAJLSPYJSCPHAS-SCZZXKLOSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318545 664257606 /nfs/dbraw/zinc/25/76/06/664257606.db2.gz FAJLSPYJSCPHAS-SCZZXKLOSA-N 1 1 311.342 -2.106 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321132 664257769 /nfs/dbraw/zinc/25/77/69/664257769.db2.gz SOOURBMESHZERD-RLPMIEJPSA-N 1 1 323.393 -1.480 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321132 664257775 /nfs/dbraw/zinc/25/77/75/664257775.db2.gz SOOURBMESHZERD-RLPMIEJPSA-N 1 1 323.393 -1.480 20 0 DAADMO Cc1oncc1C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958328362 664257881 /nfs/dbraw/zinc/25/78/81/664257881.db2.gz FDKWQZOBNNPZKW-GHMZBOCLSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1oncc1C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958328362 664257882 /nfs/dbraw/zinc/25/78/82/664257882.db2.gz FDKWQZOBNNPZKW-GHMZBOCLSA-N 1 1 321.341 -1.271 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC000958321187 664257906 /nfs/dbraw/zinc/25/79/06/664257906.db2.gz UFFCJWGEFSQEJX-MNOVXSKESA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC000958321781 664257967 /nfs/dbraw/zinc/25/79/67/664257967.db2.gz WPVSHYACBOXYIK-VXGBXAGGSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC000958321189 664258067 /nfs/dbraw/zinc/25/80/67/664258067.db2.gz UFFCJWGEFSQEJX-QWRGUYRKSA-N 1 1 306.326 -1.861 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2O)n1 ZINC000958328588 664258444 /nfs/dbraw/zinc/25/84/44/664258444.db2.gz JPUAXBQXNACPQL-WCBMZHEXSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]2O)n1 ZINC000958328588 664258445 /nfs/dbraw/zinc/25/84/45/664258445.db2.gz JPUAXBQXNACPQL-WCBMZHEXSA-N 1 1 323.382 -1.111 20 0 DAADMO Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329176 664258733 /nfs/dbraw/zinc/25/87/33/664258733.db2.gz TZKFCTHTJCABSM-VHSXEESVSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncoc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329176 664258735 /nfs/dbraw/zinc/25/87/35/664258735.db2.gz TZKFCTHTJCABSM-VHSXEESVSA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)n1 ZINC000958329095 664258740 /nfs/dbraw/zinc/25/87/40/664258740.db2.gz RXAQEXPOMLBYNI-BNEREYBLSA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)n1 ZINC000958329095 664258741 /nfs/dbraw/zinc/25/87/41/664258741.db2.gz RXAQEXPOMLBYNI-BNEREYBLSA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC000958329355 664259091 /nfs/dbraw/zinc/25/90/91/664259091.db2.gz XKTSCRGQNDEKRQ-SCZZXKLOSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC000958329355 664259095 /nfs/dbraw/zinc/25/90/95/664259095.db2.gz XKTSCRGQNDEKRQ-SCZZXKLOSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2O)n1 ZINC000958329356 664259226 /nfs/dbraw/zinc/25/92/26/664259226.db2.gz XKTSCRGQNDEKRQ-WCBMZHEXSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)n1 ZINC000958329356 664259227 /nfs/dbraw/zinc/25/92/27/664259227.db2.gz XKTSCRGQNDEKRQ-WCBMZHEXSA-N 1 1 323.382 -1.111 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC000958335208 664259230 /nfs/dbraw/zinc/25/92/30/664259230.db2.gz SSJNSCINJVRKHM-VXNVDRBHSA-N 1 1 314.367 -1.383 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC000958335208 664259232 /nfs/dbraw/zinc/25/92/32/664259232.db2.gz SSJNSCINJVRKHM-VXNVDRBHSA-N 1 1 314.367 -1.383 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958345021 664259541 /nfs/dbraw/zinc/25/95/41/664259541.db2.gz KUNAGBRVDXTEBM-RKDXNWHRSA-N 1 1 309.326 -2.002 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958345021 664259543 /nfs/dbraw/zinc/25/95/43/664259543.db2.gz KUNAGBRVDXTEBM-RKDXNWHRSA-N 1 1 309.326 -2.002 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958348823 664260319 /nfs/dbraw/zinc/26/03/19/664260319.db2.gz ACVIUFHDWLKXDU-MWLCHTKSSA-N 1 1 320.353 -1.622 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC000958349152 664260477 /nfs/dbraw/zinc/26/04/77/664260477.db2.gz FNNVNVZCFLEUDC-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC000958349152 664260481 /nfs/dbraw/zinc/26/04/81/664260481.db2.gz FNNVNVZCFLEUDC-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958345908 664260575 /nfs/dbraw/zinc/26/05/75/664260575.db2.gz UNTKELVGZMRLCT-WDEREUQCSA-N 1 1 310.354 -1.104 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958348822 664260599 /nfs/dbraw/zinc/26/05/99/664260599.db2.gz ACVIUFHDWLKXDU-KOLCDFICSA-N 1 1 320.353 -1.622 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC000958349151 664260624 /nfs/dbraw/zinc/26/06/24/664260624.db2.gz FNNVNVZCFLEUDC-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC000958349151 664260626 /nfs/dbraw/zinc/26/06/26/664260626.db2.gz FNNVNVZCFLEUDC-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958345905 664260661 /nfs/dbraw/zinc/26/06/61/664260661.db2.gz UNTKELVGZMRLCT-GHMZBOCLSA-N 1 1 310.354 -1.104 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359033 664260994 /nfs/dbraw/zinc/26/09/94/664260994.db2.gz AIKBSRRDYMGRIH-JOYOIKCWSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359033 664260997 /nfs/dbraw/zinc/26/09/97/664260997.db2.gz AIKBSRRDYMGRIH-JOYOIKCWSA-N 1 1 319.321 -1.269 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1 ZINC000958350979 664261060 /nfs/dbraw/zinc/26/10/60/664261060.db2.gz MHBVUTSLQZGMIM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1 ZINC000958350979 664261061 /nfs/dbraw/zinc/26/10/61/664261061.db2.gz MHBVUTSLQZGMIM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958351234 664261123 /nfs/dbraw/zinc/26/11/23/664261123.db2.gz YIAUHXJTRKTDDE-PSASIEDQSA-N 1 1 324.337 -2.185 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958351234 664261124 /nfs/dbraw/zinc/26/11/24/664261124.db2.gz YIAUHXJTRKTDDE-PSASIEDQSA-N 1 1 324.337 -2.185 20 0 DAADMO CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000958352953 664261198 /nfs/dbraw/zinc/26/11/98/664261198.db2.gz AHJIFLZCIXISKD-GARWAMKOSA-N 1 1 323.393 -1.100 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc(C)n1 ZINC000958355206 664261277 /nfs/dbraw/zinc/26/12/77/664261277.db2.gz MAZNNDWUSWNEDM-RYUDHWBXSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc(C)n1 ZINC000958355206 664261280 /nfs/dbraw/zinc/26/12/80/664261280.db2.gz MAZNNDWUSWNEDM-RYUDHWBXSA-N 1 1 322.365 -1.094 20 0 DAADMO CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000958352954 664261304 /nfs/dbraw/zinc/26/13/04/664261304.db2.gz AHJIFLZCIXISKD-JGNFHWBKSA-N 1 1 323.393 -1.100 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958377164 664262376 /nfs/dbraw/zinc/26/23/76/664262376.db2.gz ASEUUYJJTYXPJE-XZUYRWCXSA-N 1 1 305.386 -1.149 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373910 664262478 /nfs/dbraw/zinc/26/24/78/664262478.db2.gz JEEOXLZKBYWPBC-JQWIXIFHSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373910 664262479 /nfs/dbraw/zinc/26/24/79/664262479.db2.gz JEEOXLZKBYWPBC-JQWIXIFHSA-N 1 1 322.365 -1.141 20 0 DAADMO NC(=O)c1coc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958390227 664263153 /nfs/dbraw/zinc/26/31/53/664263153.db2.gz OVHRWYQJGPCENU-MNOVXSKESA-N 1 1 311.338 -1.217 20 0 DAADMO NC(=O)c1coc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958390230 664263237 /nfs/dbraw/zinc/26/32/37/664263237.db2.gz OVHRWYQJGPCENU-WDEREUQCSA-N 1 1 311.338 -1.217 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394758 664263488 /nfs/dbraw/zinc/26/34/88/664263488.db2.gz JGDKBZZAXQRPLX-CMPLNLGQSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394758 664263492 /nfs/dbraw/zinc/26/34/92/664263492.db2.gz JGDKBZZAXQRPLX-CMPLNLGQSA-N 1 1 322.365 -1.136 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nnn1CC ZINC000958405290 664263610 /nfs/dbraw/zinc/26/36/10/664263610.db2.gz SNXFPWQWSHIKMG-JQWIXIFHSA-N 1 1 311.386 -1.125 20 0 DAADMO Cn1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cccc1=O ZINC000958395353 664263637 /nfs/dbraw/zinc/26/36/37/664263637.db2.gz SYGDDMNYFRBNRZ-ONGXEEELSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cccc1=O ZINC000958395353 664263641 /nfs/dbraw/zinc/26/36/41/664263641.db2.gz SYGDDMNYFRBNRZ-ONGXEEELSA-N 1 1 308.338 -2.107 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395067 664263798 /nfs/dbraw/zinc/26/37/98/664263798.db2.gz NSHOCCDQRMTLHN-IMTBSYHQSA-N 1 1 317.296 -1.145 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395067 664263804 /nfs/dbraw/zinc/26/38/04/664263804.db2.gz NSHOCCDQRMTLHN-IMTBSYHQSA-N 1 1 317.296 -1.145 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958395608 664263934 /nfs/dbraw/zinc/26/39/34/664263934.db2.gz XIONOOQENZYQMQ-RYUDHWBXSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958395608 664263936 /nfs/dbraw/zinc/26/39/36/664263936.db2.gz XIONOOQENZYQMQ-RYUDHWBXSA-N 1 1 322.365 -1.012 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)[C@H](O)C1 ZINC000958394761 664263943 /nfs/dbraw/zinc/26/39/43/664263943.db2.gz JGDKBZZAXQRPLX-ZYHUDNBSSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cc2C)[C@H](O)C1 ZINC000958394761 664263946 /nfs/dbraw/zinc/26/39/46/664263946.db2.gz JGDKBZZAXQRPLX-ZYHUDNBSSA-N 1 1 322.365 -1.136 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958395097 664263956 /nfs/dbraw/zinc/26/39/56/664263956.db2.gz ODHSKFLQZQMCKT-ONGXEEELSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958395097 664263958 /nfs/dbraw/zinc/26/39/58/664263958.db2.gz ODHSKFLQZQMCKT-ONGXEEELSA-N 1 1 308.338 -1.397 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958395671 664263995 /nfs/dbraw/zinc/26/39/95/664263995.db2.gz YJCRLQAVSGVYID-DGCLKSJQSA-N 1 1 309.366 -1.210 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958413148 664264621 /nfs/dbraw/zinc/26/46/21/664264621.db2.gz NCHQNCHWFUXBBO-SCZZXKLOSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958413148 664264623 /nfs/dbraw/zinc/26/46/23/664264623.db2.gz NCHQNCHWFUXBBO-SCZZXKLOSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958413684 664264664 /nfs/dbraw/zinc/26/46/64/664264664.db2.gz SIUUDBZUSSTSHQ-KOLCDFICSA-N 1 1 311.338 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413844 664264698 /nfs/dbraw/zinc/26/46/98/664264698.db2.gz VENPTTCMKIQZRG-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413844 664264701 /nfs/dbraw/zinc/26/47/01/664264701.db2.gz VENPTTCMKIQZRG-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC000958409727 664264866 /nfs/dbraw/zinc/26/48/66/664264866.db2.gz VUFUZYUGVXXYQK-ZWNOBZJWSA-N 1 1 322.365 -1.496 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NC1CC1 ZINC000958406347 664264962 /nfs/dbraw/zinc/26/49/62/664264962.db2.gz VDGULMVTXSREBW-DEKYYXRVSA-N 1 1 306.366 -1.410 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NC1CC1 ZINC000958406347 664264965 /nfs/dbraw/zinc/26/49/65/664264965.db2.gz VDGULMVTXSREBW-DEKYYXRVSA-N 1 1 306.366 -1.410 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nnn1CC ZINC000958405802 664264990 /nfs/dbraw/zinc/26/49/90/664264990.db2.gz WDAASLORBXEEOV-KOLCDFICSA-N 1 1 324.385 -1.632 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nnn1CC ZINC000958405802 664264993 /nfs/dbraw/zinc/26/49/93/664264993.db2.gz WDAASLORBXEEOV-KOLCDFICSA-N 1 1 324.385 -1.632 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c(C)n1 ZINC000958435628 664266078 /nfs/dbraw/zinc/26/60/78/664266078.db2.gz QATRNDLMZPKTRI-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c(C)n1 ZINC000958435628 664266080 /nfs/dbraw/zinc/26/60/80/664266080.db2.gz QATRNDLMZPKTRI-AAEUAGOBSA-N 1 1 323.397 -1.020 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448335 664266230 /nfs/dbraw/zinc/26/62/30/664266230.db2.gz NVDJTLQRHDFAGX-JQWIXIFHSA-N 1 1 324.381 -1.484 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434823 664266283 /nfs/dbraw/zinc/26/62/83/664266283.db2.gz KVYZNWJBZMXYMH-JQWIXIFHSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434823 664266285 /nfs/dbraw/zinc/26/62/85/664266285.db2.gz KVYZNWJBZMXYMH-JQWIXIFHSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958432249 664266324 /nfs/dbraw/zinc/26/63/24/664266324.db2.gz PNYPDAIRGDHQCJ-IMSYWVGJSA-N 1 1 304.354 -1.147 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444205 664266334 /nfs/dbraw/zinc/26/63/34/664266334.db2.gz NXVPMVUNUCOKCR-VXGBXAGGSA-N 1 1 320.411 -1.788 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444205 664266336 /nfs/dbraw/zinc/26/63/36/664266336.db2.gz NXVPMVUNUCOKCR-VXGBXAGGSA-N 1 1 320.411 -1.788 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1)NC1CC1 ZINC000958436677 664266346 /nfs/dbraw/zinc/26/63/46/664266346.db2.gz YYIYVCLZFFFZDX-DGCLKSJQSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1)NC1CC1 ZINC000958436677 664266349 /nfs/dbraw/zinc/26/63/49/664266349.db2.gz YYIYVCLZFFFZDX-DGCLKSJQSA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958459561 664266961 /nfs/dbraw/zinc/26/69/61/664266961.db2.gz SIWPPVJKGFDPSX-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958459561 664266962 /nfs/dbraw/zinc/26/69/62/664266962.db2.gz SIWPPVJKGFDPSX-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958459559 664266972 /nfs/dbraw/zinc/26/69/72/664266972.db2.gz SIWPPVJKGFDPSX-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958459559 664266974 /nfs/dbraw/zinc/26/69/74/664266974.db2.gz SIWPPVJKGFDPSX-GHMZBOCLSA-N 1 1 309.370 -1.171 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958449926 664266977 /nfs/dbraw/zinc/26/69/77/664266977.db2.gz WXKNZKLTDOQQNF-JQWIXIFHSA-N 1 1 324.381 -1.485 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958457528 664267003 /nfs/dbraw/zinc/26/70/03/664267003.db2.gz DLRHMNJCYHSGAU-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958457528 664267006 /nfs/dbraw/zinc/26/70/06/664267006.db2.gz DLRHMNJCYHSGAU-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453458 664267043 /nfs/dbraw/zinc/26/70/43/664267043.db2.gz NVVIUBJIXUTDQO-WPRPVWTQSA-N 1 1 323.378 -1.096 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453458 664267046 /nfs/dbraw/zinc/26/70/46/664267046.db2.gz NVVIUBJIXUTDQO-WPRPVWTQSA-N 1 1 323.378 -1.096 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958459562 664267077 /nfs/dbraw/zinc/26/70/77/664267077.db2.gz SIWPPVJKGFDPSX-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958459562 664267080 /nfs/dbraw/zinc/26/70/80/664267080.db2.gz SIWPPVJKGFDPSX-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958459251 664267093 /nfs/dbraw/zinc/26/70/93/664267093.db2.gz NGZVWXWPYBYBCS-CMPLNLGQSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958459251 664267101 /nfs/dbraw/zinc/26/71/01/664267101.db2.gz NGZVWXWPYBYBCS-CMPLNLGQSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958456239 664267272 /nfs/dbraw/zinc/26/72/72/664267272.db2.gz CYRMFHDVDAWCLT-DEKYYXRVSA-N 1 1 317.349 -1.196 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958449927 664267332 /nfs/dbraw/zinc/26/73/32/664267332.db2.gz WXKNZKLTDOQQNF-PWSUYJOCSA-N 1 1 324.381 -1.485 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nnn1C ZINC000958461721 664267400 /nfs/dbraw/zinc/26/74/00/664267400.db2.gz QMMSVINUFPZLSO-MIZYBKAJSA-N 1 1 304.354 -1.328 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958452819 664267477 /nfs/dbraw/zinc/26/74/77/664267477.db2.gz HMPLMXHAVQHCDN-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958452819 664267478 /nfs/dbraw/zinc/26/74/78/664267478.db2.gz HMPLMXHAVQHCDN-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc(C3CC3)n2)[C@H](O)C1 ZINC000958452841 664267525 /nfs/dbraw/zinc/26/75/25/664267525.db2.gz HRSAWSVOQFVGIK-ZYHUDNBSSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(C3CC3)n2)[C@H](O)C1 ZINC000958452841 664267526 /nfs/dbraw/zinc/26/75/26/664267526.db2.gz HRSAWSVOQFVGIK-ZYHUDNBSSA-N 1 1 319.365 -1.138 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958464586 664267849 /nfs/dbraw/zinc/26/78/49/664267849.db2.gz YSOILVFPJUEEKO-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467565 664267853 /nfs/dbraw/zinc/26/78/53/664267853.db2.gz JFUNKAMVGRVOTK-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467565 664267855 /nfs/dbraw/zinc/26/78/55/664267855.db2.gz JFUNKAMVGRVOTK-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467568 664267870 /nfs/dbraw/zinc/26/78/70/664267870.db2.gz JFUNKAMVGRVOTK-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467568 664267871 /nfs/dbraw/zinc/26/78/71/664267871.db2.gz JFUNKAMVGRVOTK-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3cccnn32)[C@H](O)C1 ZINC000958466840 664268333 /nfs/dbraw/zinc/26/83/33/664268333.db2.gz BHRQEMFJSCQZIJ-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3cccnn32)[C@H](O)C1 ZINC000958466840 664268336 /nfs/dbraw/zinc/26/83/36/664268336.db2.gz BHRQEMFJSCQZIJ-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO COCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC000958466940 664268590 /nfs/dbraw/zinc/26/85/90/664268590.db2.gz DAVQRWNNZGHVBA-LDYMZIIASA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC000958466940 664268593 /nfs/dbraw/zinc/26/85/93/664268593.db2.gz DAVQRWNNZGHVBA-LDYMZIIASA-N 1 1 312.326 -1.671 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958474733 664268784 /nfs/dbraw/zinc/26/87/84/664268784.db2.gz QRDVLXZQDSPCDR-COMQUAJESA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958474733 664268788 /nfs/dbraw/zinc/26/87/88/664268788.db2.gz QRDVLXZQDSPCDR-COMQUAJESA-N 1 1 322.409 -1.358 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958474374 664268810 /nfs/dbraw/zinc/26/88/10/664268810.db2.gz KRBJFSBHDAYOAL-CZXHOFHRSA-N 1 1 310.398 -1.548 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958475904 664268908 /nfs/dbraw/zinc/26/89/08/664268908.db2.gz DWZULUHZHVPWHN-GHMZBOCLSA-N 1 1 313.354 -2.170 20 0 DAADMO Cn1cnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474511 664268975 /nfs/dbraw/zinc/26/89/75/664268975.db2.gz MGUYXAXJBYLKGP-KZVDOYCCSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1cnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474511 664268978 /nfs/dbraw/zinc/26/89/78/664268978.db2.gz MGUYXAXJBYLKGP-KZVDOYCCSA-N 1 1 320.397 -1.308 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)s1 ZINC000958476151 664268994 /nfs/dbraw/zinc/26/89/94/664268994.db2.gz FYEHHVHVYLWXDV-BDAKNGLRSA-N 1 1 313.379 -1.138 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC000958474375 664269281 /nfs/dbraw/zinc/26/92/81/664269281.db2.gz KRBJFSBHDAYOAL-KZVDOYCCSA-N 1 1 310.398 -1.548 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC000958473626 664269419 /nfs/dbraw/zinc/26/94/19/664269419.db2.gz DCIVSKSCAGKQNQ-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC000958473626 664269422 /nfs/dbraw/zinc/26/94/22/664269422.db2.gz DCIVSKSCAGKQNQ-RFQIPJPRSA-N 1 1 320.397 -1.308 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958477624 664269620 /nfs/dbraw/zinc/26/96/20/664269620.db2.gz ZJMAAEGUBREXPD-MNOVXSKESA-N 1 1 313.354 -1.906 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958476478 664270052 /nfs/dbraw/zinc/27/00/52/664270052.db2.gz KVUHVGWSVZAUDV-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958476478 664270056 /nfs/dbraw/zinc/27/00/56/664270056.db2.gz KVUHVGWSVZAUDV-ZYHUDNBSSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958476477 664270126 /nfs/dbraw/zinc/27/01/26/664270126.db2.gz KVUHVGWSVZAUDV-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958476477 664270128 /nfs/dbraw/zinc/27/01/28/664270128.db2.gz KVUHVGWSVZAUDV-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nncn2c1 ZINC000958481054 664270531 /nfs/dbraw/zinc/27/05/31/664270531.db2.gz MWZWBMFVIMSGEY-NWDGAFQWSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481789 664270540 /nfs/dbraw/zinc/27/05/40/664270540.db2.gz SEYKRSASYOWUHK-QWRGUYRKSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481789 664270542 /nfs/dbraw/zinc/27/05/42/664270542.db2.gz SEYKRSASYOWUHK-QWRGUYRKSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485286 664270654 /nfs/dbraw/zinc/27/06/54/664270654.db2.gz JUZHINCEHMCLCK-WDEREUQCSA-N 1 1 315.345 -1.192 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nncn2c1 ZINC000958481057 664270714 /nfs/dbraw/zinc/27/07/14/664270714.db2.gz MWZWBMFVIMSGEY-RYUDHWBXSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485496 664270733 /nfs/dbraw/zinc/27/07/33/664270733.db2.gz MYQAWQOYFCWNIJ-DTWKUNHWSA-N 1 1 312.326 -3.067 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485496 664270735 /nfs/dbraw/zinc/27/07/35/664270735.db2.gz MYQAWQOYFCWNIJ-DTWKUNHWSA-N 1 1 312.326 -3.067 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nncn2c1 ZINC000958481052 664270837 /nfs/dbraw/zinc/27/08/37/664270837.db2.gz MWZWBMFVIMSGEY-NEPJUHHUSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958480761 664270868 /nfs/dbraw/zinc/27/08/68/664270868.db2.gz HRFQKMHREUCIJH-PWSUYJOCSA-N 1 1 320.357 -1.871 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485406 664270874 /nfs/dbraw/zinc/27/08/74/664270874.db2.gz LJODPZHURRBHMD-ZJUUUORDSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485406 664270876 /nfs/dbraw/zinc/27/08/76/664270876.db2.gz LJODPZHURRBHMD-ZJUUUORDSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC000958494671 664271354 /nfs/dbraw/zinc/27/13/54/664271354.db2.gz QUZGJYSVHNVVHS-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958494671 664271357 /nfs/dbraw/zinc/27/13/57/664271357.db2.gz QUZGJYSVHNVVHS-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958494671 664271363 /nfs/dbraw/zinc/27/13/63/664271363.db2.gz QUZGJYSVHNVVHS-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1nc[nH]n1 ZINC000958494671 664271366 /nfs/dbraw/zinc/27/13/66/664271366.db2.gz QUZGJYSVHNVVHS-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1nc[nH]n1 ZINC000958494671 664271370 /nfs/dbraw/zinc/27/13/70/664271370.db2.gz QUZGJYSVHNVVHS-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC000958494670 664271589 /nfs/dbraw/zinc/27/15/89/664271589.db2.gz QUZGJYSVHNVVHS-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC000958494670 664271590 /nfs/dbraw/zinc/27/15/90/664271590.db2.gz QUZGJYSVHNVVHS-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC000958494670 664271594 /nfs/dbraw/zinc/27/15/94/664271594.db2.gz QUZGJYSVHNVVHS-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1nc[nH]n1 ZINC000958494670 664271596 /nfs/dbraw/zinc/27/15/96/664271596.db2.gz QUZGJYSVHNVVHS-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1nc[nH]n1 ZINC000958494670 664271600 /nfs/dbraw/zinc/27/16/00/664271600.db2.gz QUZGJYSVHNVVHS-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC000958494673 664271799 /nfs/dbraw/zinc/27/17/99/664271799.db2.gz QUZGJYSVHNVVHS-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC000958494673 664271802 /nfs/dbraw/zinc/27/18/02/664271802.db2.gz QUZGJYSVHNVVHS-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC000958494673 664271804 /nfs/dbraw/zinc/27/18/04/664271804.db2.gz QUZGJYSVHNVVHS-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1nc[nH]n1 ZINC000958494673 664271807 /nfs/dbraw/zinc/27/18/07/664271807.db2.gz QUZGJYSVHNVVHS-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1nc[nH]n1 ZINC000958494673 664271809 /nfs/dbraw/zinc/27/18/09/664271809.db2.gz QUZGJYSVHNVVHS-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958498486 664272420 /nfs/dbraw/zinc/27/24/20/664272420.db2.gz HAPGHFOVCMRRQW-WDEREUQCSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC000958502744 664273623 /nfs/dbraw/zinc/27/36/23/664273623.db2.gz JLNLSDDWFWTQKT-UWVGGRQHSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958502744 664273626 /nfs/dbraw/zinc/27/36/26/664273626.db2.gz JLNLSDDWFWTQKT-UWVGGRQHSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958502744 664273627 /nfs/dbraw/zinc/27/36/27/664273627.db2.gz JLNLSDDWFWTQKT-UWVGGRQHSA-N 1 1 306.330 -1.881 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502379 664273726 /nfs/dbraw/zinc/27/37/26/664273726.db2.gz APOCNDOLHYCOKD-CMPLNLGQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502379 664273730 /nfs/dbraw/zinc/27/37/30/664273730.db2.gz APOCNDOLHYCOKD-CMPLNLGQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502379 664273732 /nfs/dbraw/zinc/27/37/32/664273732.db2.gz APOCNDOLHYCOKD-CMPLNLGQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502379 664273735 /nfs/dbraw/zinc/27/37/35/664273735.db2.gz APOCNDOLHYCOKD-CMPLNLGQSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502379 664273738 /nfs/dbraw/zinc/27/37/38/664273738.db2.gz APOCNDOLHYCOKD-CMPLNLGQSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500303 664273793 /nfs/dbraw/zinc/27/37/93/664273793.db2.gz TZTLIELHRXTCTH-PWSUYJOCSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccn2)C1)NC1CC1 ZINC000958500303 664273798 /nfs/dbraw/zinc/27/37/98/664273798.db2.gz TZTLIELHRXTCTH-PWSUYJOCSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC000958507456 664274551 /nfs/dbraw/zinc/27/45/51/664274551.db2.gz QZZMHCZHKVUWIS-MNOVXSKESA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC000958505977 664274955 /nfs/dbraw/zinc/27/49/55/664274955.db2.gz BKCLUFAWFHDJPQ-AAEUAGOBSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC000958506219 664275025 /nfs/dbraw/zinc/27/50/25/664275025.db2.gz CUAUHUKBFQZYAO-ZYHUDNBSSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507485 664275356 /nfs/dbraw/zinc/27/53/56/664275356.db2.gz RHNDBMBAZISPBR-PWSUYJOCSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)N1CCCC1 ZINC000958507485 664275358 /nfs/dbraw/zinc/27/53/58/664275358.db2.gz RHNDBMBAZISPBR-PWSUYJOCSA-N 1 1 323.353 -1.286 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 ZINC000958512794 664275772 /nfs/dbraw/zinc/27/57/72/664275772.db2.gz SQUXSGIQIJHRQD-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 ZINC000958512794 664275774 /nfs/dbraw/zinc/27/57/74/664275774.db2.gz SQUXSGIQIJHRQD-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC000958516416 664276086 /nfs/dbraw/zinc/27/60/86/664276086.db2.gz RJYFJMFLBSXIGI-AAEUAGOBSA-N 1 1 317.353 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC000958522278 664276104 /nfs/dbraw/zinc/27/61/04/664276104.db2.gz IXLIQEXBHOTDDQ-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c1C ZINC000958520038 664276574 /nfs/dbraw/zinc/27/65/74/664276574.db2.gz RYRUDEWCUCWROT-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c1C ZINC000958520038 664276576 /nfs/dbraw/zinc/27/65/76/664276576.db2.gz RYRUDEWCUCWROT-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513159 664276606 /nfs/dbraw/zinc/27/66/06/664276606.db2.gz VHJZPVDXDLPKOF-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513159 664276607 /nfs/dbraw/zinc/27/66/07/664276607.db2.gz VHJZPVDXDLPKOF-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958519554 664276644 /nfs/dbraw/zinc/27/66/44/664276644.db2.gz LHIDCXDPQDDDDO-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958519554 664276647 /nfs/dbraw/zinc/27/66/47/664276647.db2.gz LHIDCXDPQDDDDO-PWSUYJOCSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958547653 664277516 /nfs/dbraw/zinc/27/75/16/664277516.db2.gz KRWUTZYYCDLUHX-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958547653 664277519 /nfs/dbraw/zinc/27/75/19/664277519.db2.gz KRWUTZYYCDLUHX-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO COc1cccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958556080 664277537 /nfs/dbraw/zinc/27/75/37/664277537.db2.gz PGDROAZEKVBXLQ-GXSJLCMTSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958556080 664277538 /nfs/dbraw/zinc/27/75/38/664277538.db2.gz PGDROAZEKVBXLQ-GXSJLCMTSA-N 1 1 308.338 -1.402 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525077 664277572 /nfs/dbraw/zinc/27/75/72/664277572.db2.gz FJAQORJJSAUQMM-PWSUYJOCSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525077 664277573 /nfs/dbraw/zinc/27/75/73/664277573.db2.gz FJAQORJJSAUQMM-PWSUYJOCSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958524841 664277577 /nfs/dbraw/zinc/27/75/77/664277577.db2.gz DENOBIQNXWBOIJ-ZYHUDNBSSA-N 1 1 310.354 -1.482 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958551772 664277580 /nfs/dbraw/zinc/27/75/80/664277580.db2.gz NIJIOXDICWBGFP-JQWIXIFHSA-N 1 1 324.385 -1.543 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958551772 664277582 /nfs/dbraw/zinc/27/75/82/664277582.db2.gz NIJIOXDICWBGFP-JQWIXIFHSA-N 1 1 324.385 -1.543 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558073 664277751 /nfs/dbraw/zinc/27/77/51/664277751.db2.gz DJMAIMGLLGOCFU-GXSJLCMTSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2C2CC2)C1 ZINC000958558073 664277756 /nfs/dbraw/zinc/27/77/56/664277756.db2.gz DJMAIMGLLGOCFU-GXSJLCMTSA-N 1 1 307.354 -1.205 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958552254 664277772 /nfs/dbraw/zinc/27/77/72/664277772.db2.gz ROSQWQKZTLNQTE-ONGXEEELSA-N 1 1 310.358 -1.804 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958552254 664277775 /nfs/dbraw/zinc/27/77/75/664277775.db2.gz ROSQWQKZTLNQTE-ONGXEEELSA-N 1 1 310.358 -1.804 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524726 664278067 /nfs/dbraw/zinc/27/80/67/664278067.db2.gz BLAFBXGAPRSIBF-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524726 664278068 /nfs/dbraw/zinc/27/80/68/664278068.db2.gz BLAFBXGAPRSIBF-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556799 664278089 /nfs/dbraw/zinc/27/80/89/664278089.db2.gz WHAVLMLJECECEM-CMPLNLGQSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556799 664278091 /nfs/dbraw/zinc/27/80/91/664278091.db2.gz WHAVLMLJECECEM-CMPLNLGQSA-N 1 1 322.365 -1.141 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958563526 664278416 /nfs/dbraw/zinc/27/84/16/664278416.db2.gz PKHSJHYQJOLKRR-NXEZZACHSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958563526 664278417 /nfs/dbraw/zinc/27/84/17/664278417.db2.gz PKHSJHYQJOLKRR-NXEZZACHSA-N 1 1 309.326 -2.007 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562871 664278422 /nfs/dbraw/zinc/27/84/22/664278422.db2.gz IQFUTKKVLGZNLD-QWRGUYRKSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562871 664278424 /nfs/dbraw/zinc/27/84/24/664278424.db2.gz IQFUTKKVLGZNLD-QWRGUYRKSA-N 1 1 323.353 -1.746 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958563528 664278491 /nfs/dbraw/zinc/27/84/91/664278491.db2.gz PKHSJHYQJOLKRR-VHSXEESVSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958563528 664278493 /nfs/dbraw/zinc/27/84/93/664278493.db2.gz PKHSJHYQJOLKRR-VHSXEESVSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577787 664278534 /nfs/dbraw/zinc/27/85/34/664278534.db2.gz MRRXSIMBTYHBJD-YPMHNXCESA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577787 664278535 /nfs/dbraw/zinc/27/85/35/664278535.db2.gz MRRXSIMBTYHBJD-YPMHNXCESA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3nccn3c2)[C@H](O)C1 ZINC000958581705 664278676 /nfs/dbraw/zinc/27/86/76/664278676.db2.gz ROOQZPWPNXXTBV-VXGBXAGGSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3nccn3c2)[C@H](O)C1 ZINC000958581705 664278679 /nfs/dbraw/zinc/27/86/79/664278679.db2.gz ROOQZPWPNXXTBV-VXGBXAGGSA-N 1 1 317.349 -1.158 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC000958588198 664279438 /nfs/dbraw/zinc/27/94/38/664279438.db2.gz QHJKOYVWJVSNER-MWLCHTKSSA-N 1 1 320.353 -1.152 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958587177 664279447 /nfs/dbraw/zinc/27/94/47/664279447.db2.gz ORXCBUZHMLHEDQ-SFDCQRBFSA-N 1 1 322.409 -1.356 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CCC2 ZINC000958587021 664279534 /nfs/dbraw/zinc/27/95/34/664279534.db2.gz FNZWBQMTQPZGNX-MFKMUULPSA-N 1 1 308.382 -1.076 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958588217 664279766 /nfs/dbraw/zinc/27/97/66/664279766.db2.gz XKYWVAUENYSFED-KZVDOYCCSA-N 1 1 308.382 -1.747 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O)CCC2 ZINC000958586861 664279797 /nfs/dbraw/zinc/27/97/97/664279797.db2.gz DENIQUXCPJEDEA-JOYOIKCWSA-N 1 1 321.381 -1.583 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O)CCC2 ZINC000958586861 664279800 /nfs/dbraw/zinc/27/98/00/664279800.db2.gz DENIQUXCPJEDEA-JOYOIKCWSA-N 1 1 321.381 -1.583 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958584050 664279824 /nfs/dbraw/zinc/27/98/24/664279824.db2.gz NYJKPZMMMWTXLI-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958584050 664279826 /nfs/dbraw/zinc/27/98/26/664279826.db2.gz NYJKPZMMMWTXLI-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588199 664279875 /nfs/dbraw/zinc/27/98/75/664279875.db2.gz QHJKOYVWJVSNER-ONGXEEELSA-N 1 1 320.353 -1.152 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC000958588523 664279892 /nfs/dbraw/zinc/27/98/92/664279892.db2.gz TYVGMVRSDPKXNY-SCZZXKLOSA-N 1 1 322.325 -2.568 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958593864 664280455 /nfs/dbraw/zinc/28/04/55/664280455.db2.gz CBHXTNXDCDAUFY-NXEZZACHSA-N 1 1 311.338 -1.189 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC000958599565 664280773 /nfs/dbraw/zinc/28/07/73/664280773.db2.gz QVWKMOAEZHYBKP-YPMHNXCESA-N 1 1 323.397 -1.053 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958597783 664280856 /nfs/dbraw/zinc/28/08/56/664280856.db2.gz GCFSXTFENURFBK-KOLCDFICSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958597783 664280857 /nfs/dbraw/zinc/28/08/57/664280857.db2.gz GCFSXTFENURFBK-KOLCDFICSA-N 1 1 322.369 -1.950 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1=O ZINC000958599874 664280962 /nfs/dbraw/zinc/28/09/62/664280962.db2.gz VESXVACMKBGPNZ-KOLCDFICSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1=O ZINC000958599874 664280964 /nfs/dbraw/zinc/28/09/64/664280964.db2.gz VESXVACMKBGPNZ-KOLCDFICSA-N 1 1 308.338 -2.107 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958593868 664280987 /nfs/dbraw/zinc/28/09/87/664280987.db2.gz CDLPVRHARYBBTA-BDAKNGLRSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958593868 664280989 /nfs/dbraw/zinc/28/09/89/664280989.db2.gz CDLPVRHARYBBTA-BDAKNGLRSA-N 1 1 324.337 -1.696 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC000958593636 664280999 /nfs/dbraw/zinc/28/09/99/664280999.db2.gz AUPUITABOLYZER-AAEUAGOBSA-N 1 1 309.366 -1.210 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)n1cncn1 ZINC000958610587 664281574 /nfs/dbraw/zinc/28/15/74/664281574.db2.gz BRRWSHKWSFTLCF-DCQANWLSSA-N 1 1 306.370 -1.026 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCOCC2)C1=O ZINC000958608553 664281614 /nfs/dbraw/zinc/28/16/14/664281614.db2.gz RNXHVCFODCIPEI-SFDCQRBFSA-N 1 1 322.409 -1.404 20 0 DAADMO COc1cccnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958621548 664281903 /nfs/dbraw/zinc/28/19/03/664281903.db2.gz BGAOIOFBMHOCDN-UWVGGRQHSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958621548 664281905 /nfs/dbraw/zinc/28/19/05/664281905.db2.gz BGAOIOFBMHOCDN-UWVGGRQHSA-N 1 1 308.338 -1.402 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958620780 664281991 /nfs/dbraw/zinc/28/19/91/664281991.db2.gz BKOAMDWADMAGCZ-IWIIMEHWSA-N 1 1 320.353 -1.738 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)c1N ZINC000958633171 664282578 /nfs/dbraw/zinc/28/25/78/664282578.db2.gz KNJWYYXTJNMLHY-PJXYFTJBSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)c1N ZINC000958633171 664282581 /nfs/dbraw/zinc/28/25/81/664282581.db2.gz KNJWYYXTJNMLHY-PJXYFTJBSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1nnc2ccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cc21 ZINC000958625531 664282636 /nfs/dbraw/zinc/28/26/36/664282636.db2.gz KLOGVLYAHANUQS-RISCZKNCSA-N 1 1 319.365 -1.017 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626300 664282669 /nfs/dbraw/zinc/28/26/69/664282669.db2.gz QCRFAWWHWSDPHX-QCBRBAQYSA-N 1 1 308.342 -1.706 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958630397 664282826 /nfs/dbraw/zinc/28/28/26/664282826.db2.gz HUUJAAVJYGOKAT-MFKMUULPSA-N 1 1 322.365 -1.544 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958634948 664283271 /nfs/dbraw/zinc/28/32/71/664283271.db2.gz DHCQEFKATUJJMR-WCQYABFASA-N 1 1 312.370 -1.456 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)nn21 ZINC000958643489 664283479 /nfs/dbraw/zinc/28/34/79/664283479.db2.gz ANQXGEMQPGLLRD-GHMZBOCLSA-N 1 1 320.353 -1.552 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958634949 664283546 /nfs/dbraw/zinc/28/35/46/664283546.db2.gz DHCQEFKATUJJMR-YPMHNXCESA-N 1 1 312.370 -1.456 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3ccccc3n2)[C@H](O)C1 ZINC000958650258 664283800 /nfs/dbraw/zinc/28/38/00/664283800.db2.gz UWAVHNXKHMMRGG-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3ccccc3n2)[C@H](O)C1 ZINC000958650258 664283804 /nfs/dbraw/zinc/28/38/04/664283804.db2.gz UWAVHNXKHMMRGG-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648930 664283841 /nfs/dbraw/zinc/28/38/41/664283841.db2.gz DNOKMALQZSHHDV-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958648930 664283847 /nfs/dbraw/zinc/28/38/47/664283847.db2.gz DNOKMALQZSHHDV-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)nn21 ZINC000958643492 664283915 /nfs/dbraw/zinc/28/39/15/664283915.db2.gz ANQXGEMQPGLLRD-WDEREUQCSA-N 1 1 320.353 -1.552 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC000958653650 664283931 /nfs/dbraw/zinc/28/39/31/664283931.db2.gz NEDIUKQDVKJNRA-UWVGGRQHSA-N 1 1 323.353 -1.756 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649153 664284061 /nfs/dbraw/zinc/28/40/61/664284061.db2.gz HRLIOUYLEDPIFI-PWSUYJOCSA-N 1 1 310.354 -1.551 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650257 664284411 /nfs/dbraw/zinc/28/44/11/664284411.db2.gz UWAVHNXKHMMRGG-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650257 664284414 /nfs/dbraw/zinc/28/44/14/664284414.db2.gz UWAVHNXKHMMRGG-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC000958657572 664285156 /nfs/dbraw/zinc/28/51/56/664285156.db2.gz KXEVZURREGGGTP-CHWSQXEVSA-N 1 1 307.350 -1.200 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666334 664285268 /nfs/dbraw/zinc/28/52/68/664285268.db2.gz IXQJWAGXUNYWCE-SCZZXKLOSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666334 664285271 /nfs/dbraw/zinc/28/52/71/664285271.db2.gz IXQJWAGXUNYWCE-SCZZXKLOSA-N 1 1 314.317 -1.522 20 0 DAADMO NC(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958658315 664285450 /nfs/dbraw/zinc/28/54/50/664285450.db2.gz XZZHNUNUIYLRBY-VXGBXAGGSA-N 1 1 314.386 -1.822 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)[C@H](O)C1 ZINC000958661599 664285481 /nfs/dbraw/zinc/28/54/81/664285481.db2.gz MLTZZNHUBGVADJ-BXKDBHETSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)[C@H](O)C1 ZINC000958661599 664285493 /nfs/dbraw/zinc/28/54/93/664285493.db2.gz MLTZZNHUBGVADJ-BXKDBHETSA-N 1 1 318.337 -1.534 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC000958666483 664285688 /nfs/dbraw/zinc/28/56/88/664285688.db2.gz LADSLEOVKCXPGX-MWLCHTKSSA-N 1 1 310.354 -1.083 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666802 664285743 /nfs/dbraw/zinc/28/57/43/664285743.db2.gz PFMSOPMHUAFETO-ZYHUDNBSSA-N 1 1 322.365 -1.082 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670881 664285997 /nfs/dbraw/zinc/28/59/97/664285997.db2.gz CCQQEHPYFHEFKH-KOLCDFICSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958670881 664286001 /nfs/dbraw/zinc/28/60/01/664286001.db2.gz CCQQEHPYFHEFKH-KOLCDFICSA-N 1 1 323.353 -2.118 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672381 664286032 /nfs/dbraw/zinc/28/60/32/664286032.db2.gz KYEVCRXYDCRGRQ-SCZZXKLOSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672381 664286038 /nfs/dbraw/zinc/28/60/38/664286038.db2.gz KYEVCRXYDCRGRQ-SCZZXKLOSA-N 1 1 309.326 -2.379 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958684918 664286621 /nfs/dbraw/zinc/28/66/21/664286621.db2.gz OVFPRNPDGZXAOK-GXFFZTMASA-N 1 1 321.381 -1.193 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958684918 664286623 /nfs/dbraw/zinc/28/66/23/664286623.db2.gz OVFPRNPDGZXAOK-GXFFZTMASA-N 1 1 321.381 -1.193 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c[nH]1 ZINC000958683719 664286654 /nfs/dbraw/zinc/28/66/54/664286654.db2.gz HDNRFOJWOSUBEK-ZYHUDNBSSA-N 1 1 310.354 -1.482 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958675049 664286733 /nfs/dbraw/zinc/28/67/33/664286733.db2.gz CWAIEUGNOZAXSX-APOZVJGGSA-N 1 1 308.338 -1.227 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958693426 664286744 /nfs/dbraw/zinc/28/67/44/664286744.db2.gz FCHGUNJOVUMDJM-OLZOCXBDSA-N 1 1 322.365 -1.415 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958684919 664286974 /nfs/dbraw/zinc/28/69/74/664286974.db2.gz OVFPRNPDGZXAOK-MFKMUULPSA-N 1 1 321.381 -1.193 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958684919 664286978 /nfs/dbraw/zinc/28/69/78/664286978.db2.gz OVFPRNPDGZXAOK-MFKMUULPSA-N 1 1 321.381 -1.193 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693461 664287135 /nfs/dbraw/zinc/28/71/35/664287135.db2.gz FRIXVCOWKWKIES-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693461 664287140 /nfs/dbraw/zinc/28/71/40/664287140.db2.gz FRIXVCOWKWKIES-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO Cc1nccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958698487 664287572 /nfs/dbraw/zinc/28/75/72/664287572.db2.gz VGNGKNDECDNEKA-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958698487 664287576 /nfs/dbraw/zinc/28/75/76/664287576.db2.gz VGNGKNDECDNEKA-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC000958698195 664287646 /nfs/dbraw/zinc/28/76/46/664287646.db2.gz OWYRLQDGUVBJDD-KMLBCRHOSA-N 1 1 308.382 -1.354 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958698486 664287926 /nfs/dbraw/zinc/28/79/26/664287926.db2.gz VGNGKNDECDNEKA-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958698486 664287935 /nfs/dbraw/zinc/28/79/35/664287935.db2.gz VGNGKNDECDNEKA-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729710 664289245 /nfs/dbraw/zinc/28/92/45/664289245.db2.gz XQQQKVZTYDPXOX-KOLCDFICSA-N 1 1 310.358 -1.806 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000958728456 664289281 /nfs/dbraw/zinc/28/92/81/664289281.db2.gz ONAXPZPMSQWBIM-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO CCCC[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC000958729628 664289354 /nfs/dbraw/zinc/28/93/54/664289354.db2.gz WRRAGKGDIJGGDH-ZYHUDNBSSA-N 1 1 324.385 -1.414 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958736571 664289415 /nfs/dbraw/zinc/28/94/15/664289415.db2.gz QHXPHCLLRNPKRJ-GWCFXTLKSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC000958735780 664289685 /nfs/dbraw/zinc/28/96/85/664289685.db2.gz FOYGBNJAOYIWHB-KOLCDFICSA-N 1 1 300.334 -1.284 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC000958735780 664289688 /nfs/dbraw/zinc/28/96/88/664289688.db2.gz FOYGBNJAOYIWHB-KOLCDFICSA-N 1 1 300.334 -1.284 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n(C)c1=O ZINC000958736504 664289750 /nfs/dbraw/zinc/28/97/50/664289750.db2.gz PGVMBOUNXJKIBC-JQWIXIFHSA-N 1 1 312.370 -1.871 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC000958729711 664289774 /nfs/dbraw/zinc/28/97/74/664289774.db2.gz XQQQKVZTYDPXOX-MWLCHTKSSA-N 1 1 310.358 -1.806 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)nn1 ZINC000958728897 664289916 /nfs/dbraw/zinc/28/99/16/664289916.db2.gz RIQYGZOAWJIHTO-PWSUYJOCSA-N 1 1 322.369 -1.804 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)N1CCCC1 ZINC000958741066 664290614 /nfs/dbraw/zinc/29/06/14/664290614.db2.gz BOVURDLCHJQNGB-SRRSOLGSSA-N 1 1 322.365 -1.236 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958736982 664290628 /nfs/dbraw/zinc/29/06/28/664290628.db2.gz CHVKPMYLSUJNFQ-XZUYRWCXSA-N 1 1 322.365 -1.236 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958746814 664290993 /nfs/dbraw/zinc/29/09/93/664290993.db2.gz LBIIYLJVHMXEQS-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958746814 664290997 /nfs/dbraw/zinc/29/09/97/664290997.db2.gz LBIIYLJVHMXEQS-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958746940 664291034 /nfs/dbraw/zinc/29/10/34/664291034.db2.gz NLKPRMCJLOHUBU-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC000958746940 664291036 /nfs/dbraw/zinc/29/10/36/664291036.db2.gz NLKPRMCJLOHUBU-IAZYJMLFSA-N 1 1 302.342 -1.196 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958749241 664291507 /nfs/dbraw/zinc/29/15/07/664291507.db2.gz VQYUFLNOTSBZLR-CMPLNLGQSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749820 664291823 /nfs/dbraw/zinc/29/18/23/664291823.db2.gz ZBMPYBRWCPXUSW-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749820 664291827 /nfs/dbraw/zinc/29/18/27/664291827.db2.gz ZBMPYBRWCPXUSW-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958757989 664292035 /nfs/dbraw/zinc/29/20/35/664292035.db2.gz ALDGBLLUZMOVBQ-GHMZBOCLSA-N 1 1 321.341 -1.308 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958761974 664292246 /nfs/dbraw/zinc/29/22/46/664292246.db2.gz CMSRZICQYPCZHG-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958761974 664292250 /nfs/dbraw/zinc/29/22/50/664292250.db2.gz CMSRZICQYPCZHG-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958757988 664292261 /nfs/dbraw/zinc/29/22/61/664292261.db2.gz AKXIVZNUNNUSDP-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958757988 664292263 /nfs/dbraw/zinc/29/22/63/664292263.db2.gz AKXIVZNUNNUSDP-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000958761411 664292271 /nfs/dbraw/zinc/29/22/71/664292271.db2.gz XBFGRQKNIKZHAN-BSJXLVFVSA-N 1 1 304.354 -1.246 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958757986 664292327 /nfs/dbraw/zinc/29/23/27/664292327.db2.gz AKXIVZNUNNUSDP-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958757986 664292329 /nfs/dbraw/zinc/29/23/29/664292329.db2.gz AKXIVZNUNNUSDP-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958763403 664292614 /nfs/dbraw/zinc/29/26/14/664292614.db2.gz SOMQKJWDESGVIO-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958763403 664292616 /nfs/dbraw/zinc/29/26/16/664292616.db2.gz SOMQKJWDESGVIO-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958762556 664292733 /nfs/dbraw/zinc/29/27/33/664292733.db2.gz MEYGTEPYOUXZJS-VHSXEESVSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958762556 664292735 /nfs/dbraw/zinc/29/27/35/664292735.db2.gz MEYGTEPYOUXZJS-VHSXEESVSA-N 1 1 310.358 -1.886 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 ZINC000958770006 664292780 /nfs/dbraw/zinc/29/27/80/664292780.db2.gz LXMGFELYSQADPW-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)[C@H](O)C1 ZINC000958770006 664292781 /nfs/dbraw/zinc/29/27/81/664292781.db2.gz LXMGFELYSQADPW-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC000958773711 664292876 /nfs/dbraw/zinc/29/28/76/664292876.db2.gz CNHOVVYEHLKHTJ-SVDPJWKOSA-N 1 1 306.370 -1.048 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958762554 664292911 /nfs/dbraw/zinc/29/29/11/664292911.db2.gz MEYGTEPYOUXZJS-NXEZZACHSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958762554 664292913 /nfs/dbraw/zinc/29/29/13/664292913.db2.gz MEYGTEPYOUXZJS-NXEZZACHSA-N 1 1 310.358 -1.886 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958769431 664293030 /nfs/dbraw/zinc/29/30/30/664293030.db2.gz ICBIHMAQMSWYCZ-YPMHNXCESA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000958786701 664293414 /nfs/dbraw/zinc/29/34/14/664293414.db2.gz JBBURVQFSOBJSX-LOKLDPHHSA-N 1 1 318.337 -1.720 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)n1 ZINC000958786032 664293422 /nfs/dbraw/zinc/29/34/22/664293422.db2.gz CBQFBDFYWXVFJB-YTWAJWBKSA-N 1 1 304.354 -1.246 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC000958817155 664293734 /nfs/dbraw/zinc/29/37/34/664293734.db2.gz VSVDYHATIJXRTH-BBGACYKPSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)n[nH]1 ZINC000958817155 664293738 /nfs/dbraw/zinc/29/37/38/664293738.db2.gz VSVDYHATIJXRTH-BBGACYKPSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)n[nH]1 ZINC000958817155 664293741 /nfs/dbraw/zinc/29/37/41/664293741.db2.gz VSVDYHATIJXRTH-BBGACYKPSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)[nH]1 ZINC000958817156 664293838 /nfs/dbraw/zinc/29/38/38/664293838.db2.gz VSVDYHATIJXRTH-DEKYYXRVSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)n[nH]1 ZINC000958817156 664293840 /nfs/dbraw/zinc/29/38/40/664293840.db2.gz VSVDYHATIJXRTH-DEKYYXRVSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)n[nH]1 ZINC000958817156 664293842 /nfs/dbraw/zinc/29/38/42/664293842.db2.gz VSVDYHATIJXRTH-DEKYYXRVSA-N 1 1 318.381 -1.019 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncc[nH]1 ZINC000958809845 664294015 /nfs/dbraw/zinc/29/40/15/664294015.db2.gz WPWONAIBSCWEBB-QCBRBAQYSA-N 1 1 303.322 -1.125 20 0 DAADMO Cn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000096751921 664295512 /nfs/dbraw/zinc/29/55/12/664295512.db2.gz ZTDKZTPZRYBTEP-UHFFFAOYSA-N 1 1 310.354 -1.464 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000958850052 664296073 /nfs/dbraw/zinc/29/60/73/664296073.db2.gz MONBFCZVVBJKBZ-DLOVCJGASA-N 1 1 323.353 -1.335 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958887917 664298328 /nfs/dbraw/zinc/29/83/28/664298328.db2.gz QDRQNJWBVJQART-WOPDTQHZSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958887917 664298329 /nfs/dbraw/zinc/29/83/29/664298329.db2.gz QDRQNJWBVJQART-WOPDTQHZSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958922634 664301269 /nfs/dbraw/zinc/30/12/69/664301269.db2.gz VTCMVTHFGQZUBZ-QWRGUYRKSA-N 1 1 322.369 -1.456 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958932512 664302136 /nfs/dbraw/zinc/30/21/36/664302136.db2.gz PUCLPOQERYBYOK-WOPDTQHZSA-N 1 1 323.353 -1.193 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000958942524 664303028 /nfs/dbraw/zinc/30/30/28/664303028.db2.gz AVRMTKLNVPNJQW-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000958943210 664303740 /nfs/dbraw/zinc/30/37/40/664303740.db2.gz LWPLGSPDLLOISP-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958944884 664304579 /nfs/dbraw/zinc/30/45/79/664304579.db2.gz ATICOCFXBKHHIY-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000958963995 664305498 /nfs/dbraw/zinc/30/54/98/664305498.db2.gz GFHIULVWLNZEOI-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC000959845088 664311669 /nfs/dbraw/zinc/31/16/69/664311669.db2.gz IEMKZNWTGVGDMS-UFAOYGAJSA-N 1 1 306.370 -1.163 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccc(C)c1=O ZINC000959869711 664312145 /nfs/dbraw/zinc/31/21/45/664312145.db2.gz GWKVCEKCHMWPNQ-JYAVWHMHSA-N 1 1 318.377 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccc(C)c1=O ZINC000959869711 664312151 /nfs/dbraw/zinc/31/21/51/664312151.db2.gz GWKVCEKCHMWPNQ-JYAVWHMHSA-N 1 1 318.377 -1.051 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)cn1 ZINC000959887106 664312705 /nfs/dbraw/zinc/31/27/05/664312705.db2.gz JDTGXBREYPQIMF-MSRIBSCDSA-N 1 1 318.381 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)cn1 ZINC000959887106 664312708 /nfs/dbraw/zinc/31/27/08/664312708.db2.gz JDTGXBREYPQIMF-MSRIBSCDSA-N 1 1 318.381 -1.051 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)cn1 ZINC000959891458 664312765 /nfs/dbraw/zinc/31/27/65/664312765.db2.gz FOIBKYFMVFBGLZ-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000959900804 664313158 /nfs/dbraw/zinc/31/31/58/664313158.db2.gz LTRDLVQOFGLGOE-IAZYJMLFSA-N 1 1 303.330 -1.989 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959910431 664313526 /nfs/dbraw/zinc/31/35/26/664313526.db2.gz JOZFKFLGHRRSHW-GOONRYMUSA-N 1 1 319.369 -1.613 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000959904653 664313767 /nfs/dbraw/zinc/31/37/67/664313767.db2.gz WMZDRNRFEVXCJD-PJXYFTJBSA-N 1 1 302.342 -1.384 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959969975 664314027 /nfs/dbraw/zinc/31/40/27/664314027.db2.gz YEBVMOJNMZEEGN-MTBHXBHISA-N 1 1 307.314 -3.091 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959969975 664314029 /nfs/dbraw/zinc/31/40/29/664314029.db2.gz YEBVMOJNMZEEGN-MTBHXBHISA-N 1 1 307.314 -3.091 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)n1 ZINC000959968531 664314037 /nfs/dbraw/zinc/31/40/37/664314037.db2.gz SESUNMYYKCZSBF-JZYVYDRUSA-N 1 1 310.333 -1.217 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)n1 ZINC000959968581 664314070 /nfs/dbraw/zinc/31/40/70/664314070.db2.gz SIPOGZGHQGGVGG-JZYVYDRUSA-N 1 1 308.342 -2.194 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC000959990470 664314083 /nfs/dbraw/zinc/31/40/83/664314083.db2.gz UXHAWZLMBYTKRL-UWVGGRQHSA-N 1 1 323.357 -1.211 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959968013 664314258 /nfs/dbraw/zinc/31/42/58/664314258.db2.gz QIBPCGFXBZGDOD-SVDPJWKOSA-N 1 1 322.369 -1.542 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC000960007269 664314663 /nfs/dbraw/zinc/31/46/63/664314663.db2.gz NIDQXOLZMUOBLG-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC000960008354 664314790 /nfs/dbraw/zinc/31/47/90/664314790.db2.gz SNXYWCDBQRLJCQ-JTQLQIEISA-N 1 1 320.361 -1.633 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960074169 664314990 /nfs/dbraw/zinc/31/49/90/664314990.db2.gz PHTNTIRAEIDEJB-CPOMMVLXSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960074169 664314995 /nfs/dbraw/zinc/31/49/95/664314995.db2.gz PHTNTIRAEIDEJB-CPOMMVLXSA-N 1 1 315.337 -1.342 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960079273 664315147 /nfs/dbraw/zinc/31/51/47/664315147.db2.gz MEZVMTVTXUQNKJ-IAZYJMLFSA-N 1 1 315.337 -1.470 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960079273 664315148 /nfs/dbraw/zinc/31/51/48/664315148.db2.gz MEZVMTVTXUQNKJ-IAZYJMLFSA-N 1 1 315.337 -1.470 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)n1 ZINC000960111878 664315521 /nfs/dbraw/zinc/31/55/21/664315521.db2.gz AIDNZZAINJPVCN-RYUDHWBXSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000960116950 664315607 /nfs/dbraw/zinc/31/56/07/664315607.db2.gz WFFSUQLYFRHPPT-PJXYFTJBSA-N 1 1 302.342 -1.384 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960116991 664315686 /nfs/dbraw/zinc/31/56/86/664315686.db2.gz WKCWPBVAPIETJU-XZUYRWCXSA-N 1 1 304.354 -1.445 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC000960114189 664315747 /nfs/dbraw/zinc/31/57/47/664315747.db2.gz JYRJVRGHUOPISE-QWRGUYRKSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000960112074 664315767 /nfs/dbraw/zinc/31/57/67/664315767.db2.gz LYHITAQEMBHFDR-XZUYRWCXSA-N 1 1 304.354 -1.397 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 ZINC000960136502 664316183 /nfs/dbraw/zinc/31/61/83/664316183.db2.gz RHGSDOSOFHSHGJ-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1=O ZINC000960161587 664316692 /nfs/dbraw/zinc/31/66/92/664316692.db2.gz CQYMVLKKGMGQPA-WUWHUORYSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1=O ZINC000960161587 664316694 /nfs/dbraw/zinc/31/66/94/664316694.db2.gz CQYMVLKKGMGQPA-WUWHUORYSA-N 1 1 318.381 -1.160 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159669 664316828 /nfs/dbraw/zinc/31/68/28/664316828.db2.gz AJWOOUWSNGMZBT-KZWBYHQPSA-N 1 1 324.381 -1.987 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960159669 664316831 /nfs/dbraw/zinc/31/68/31/664316831.db2.gz AJWOOUWSNGMZBT-KZWBYHQPSA-N 1 1 324.381 -1.987 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)c1=O ZINC000960172253 664317104 /nfs/dbraw/zinc/31/71/04/664317104.db2.gz CTRQTOUZLPYMPW-IWIIMEHWSA-N 1 1 310.329 -1.437 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)c1=O ZINC000960172253 664317108 /nfs/dbraw/zinc/31/71/08/664317108.db2.gz CTRQTOUZLPYMPW-IWIIMEHWSA-N 1 1 310.329 -1.437 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960183601 664317189 /nfs/dbraw/zinc/31/71/89/664317189.db2.gz MVLILWMBNNGBJT-PJXYFTJBSA-N 1 1 317.411 -1.285 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960184562 664317264 /nfs/dbraw/zinc/31/72/64/664317264.db2.gz OUCYWGLYMYRQGM-GDGBQDQQSA-N 1 1 316.383 -2.446 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000960184562 664317268 /nfs/dbraw/zinc/31/72/68/664317268.db2.gz OUCYWGLYMYRQGM-GDGBQDQQSA-N 1 1 316.383 -2.446 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1=O ZINC000960173661 664317279 /nfs/dbraw/zinc/31/72/79/664317279.db2.gz GGUVFOKITPAMFS-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960172304 664317289 /nfs/dbraw/zinc/31/72/89/664317289.db2.gz BQQSXWISONQINA-JDICNCQASA-N 1 1 315.337 -1.241 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960172304 664317291 /nfs/dbraw/zinc/31/72/91/664317291.db2.gz BQQSXWISONQINA-JDICNCQASA-N 1 1 315.337 -1.241 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000960197988 664317602 /nfs/dbraw/zinc/31/76/02/664317602.db2.gz QPQUVJNPFSKCBE-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC000960252892 664317805 /nfs/dbraw/zinc/31/78/05/664317805.db2.gz BNWFBMIWINPKGR-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cnnn1 ZINC000960254748 664317823 /nfs/dbraw/zinc/31/78/23/664317823.db2.gz KNAOYXLRPRXHDW-BXUZGUMPSA-N 1 1 315.337 -1.470 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2ccnn21 ZINC000960241431 664317850 /nfs/dbraw/zinc/31/78/50/664317850.db2.gz GBIQYCHNRLDNEX-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2ccnn21 ZINC000960241431 664317852 /nfs/dbraw/zinc/31/78/52/664317852.db2.gz GBIQYCHNRLDNEX-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000960253181 664317977 /nfs/dbraw/zinc/31/79/77/664317977.db2.gz CGPKSPOGMHXZSF-UUIJZJDISA-N 1 1 320.393 -1.209 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC000960254523 664318146 /nfs/dbraw/zinc/31/81/46/664318146.db2.gz IBQKOVADKJGMFS-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC000960254523 664318148 /nfs/dbraw/zinc/31/81/48/664318148.db2.gz IBQKOVADKJGMFS-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000960257009 664318230 /nfs/dbraw/zinc/31/82/30/664318230.db2.gz RVEYXOAEPMOEEV-CIQGVGRVSA-N 1 1 318.381 -1.149 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298194 664318497 /nfs/dbraw/zinc/31/84/97/664318497.db2.gz SMRPTAYXYVYHDP-WGNDUZGJSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298194 664318500 /nfs/dbraw/zinc/31/85/00/664318500.db2.gz SMRPTAYXYVYHDP-WGNDUZGJSA-N 1 1 315.337 -1.113 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc2n(n1)CCO2 ZINC000960294340 664318525 /nfs/dbraw/zinc/31/85/25/664318525.db2.gz BJXMAHFGFVNQLP-IZWKTGJZSA-N 1 1 317.349 -1.176 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000960310617 664318591 /nfs/dbraw/zinc/31/85/91/664318591.db2.gz SJPIJLBMUJVGOF-DEKYYXRVSA-N 1 1 322.365 -2.220 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 ZINC000960301003 664318665 /nfs/dbraw/zinc/31/86/65/664318665.db2.gz FFWPDYGGHZIQHK-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 ZINC000960301003 664318667 /nfs/dbraw/zinc/31/86/67/664318667.db2.gz FFWPDYGGHZIQHK-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960294346 664318805 /nfs/dbraw/zinc/31/88/05/664318805.db2.gz BPQCLQVQPLKXSG-WOFXILAISA-N 1 1 305.338 -1.319 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960294346 664318808 /nfs/dbraw/zinc/31/88/08/664318808.db2.gz BPQCLQVQPLKXSG-WOFXILAISA-N 1 1 305.338 -1.319 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000960305067 664318828 /nfs/dbraw/zinc/31/88/28/664318828.db2.gz RRWYLSPZXLXHJB-GFQSEFKGSA-N 1 1 316.361 -1.035 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960327374 664319208 /nfs/dbraw/zinc/31/92/08/664319208.db2.gz KPGQUPMVQNEHBL-MSRIBSCDSA-N 1 1 319.365 -1.472 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960364289 664319689 /nfs/dbraw/zinc/31/96/89/664319689.db2.gz ACUKTSPNLXDBLS-DNJQJEMRSA-N 1 1 319.365 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960364289 664319691 /nfs/dbraw/zinc/31/96/91/664319691.db2.gz ACUKTSPNLXDBLS-DNJQJEMRSA-N 1 1 319.365 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC000960438010 664320111 /nfs/dbraw/zinc/32/01/11/664320111.db2.gz FLFFTJMHRAXYPQ-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC000960438010 664320114 /nfs/dbraw/zinc/32/01/14/664320114.db2.gz FLFFTJMHRAXYPQ-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC000960411393 664320191 /nfs/dbraw/zinc/32/01/91/664320191.db2.gz WEGYLTKSZGTEMT-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cn[nH]c(=O)c1 ZINC000960416024 664320255 /nfs/dbraw/zinc/32/02/55/664320255.db2.gz YYNJTYISYYSZPW-KLBPJQLPSA-N 1 1 303.322 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)C1 ZINC000960412694 664320263 /nfs/dbraw/zinc/32/02/63/664320263.db2.gz WTTILKQSCLJHAX-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC000960411391 664320334 /nfs/dbraw/zinc/32/03/34/664320334.db2.gz WEGYLTKSZGTEMT-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960413154 664320408 /nfs/dbraw/zinc/32/04/08/664320408.db2.gz XTLQVNIZNMGIGS-GARJFASQSA-N 1 1 310.354 -2.138 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC000960447655 664320873 /nfs/dbraw/zinc/32/08/73/664320873.db2.gz UOPFMVZBNPEVSD-CZXHOFHRSA-N 1 1 318.381 -1.007 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC000960446896 664320944 /nfs/dbraw/zinc/32/09/44/664320944.db2.gz SUXARIMNDFTAED-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)c(=O)[nH]c1C ZINC000960510915 664321328 /nfs/dbraw/zinc/32/13/28/664321328.db2.gz XCTSROXMJQKVRP-UKKRHICBSA-N 1 1 319.365 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960556044 664321528 /nfs/dbraw/zinc/32/15/28/664321528.db2.gz JCEVNTHUYMDGQF-WOFXILAISA-N 1 1 305.338 -1.441 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960556044 664321530 /nfs/dbraw/zinc/32/15/30/664321530.db2.gz JCEVNTHUYMDGQF-WOFXILAISA-N 1 1 305.338 -1.441 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960636502 664322360 /nfs/dbraw/zinc/32/23/60/664322360.db2.gz HOMYBFARHMCPFG-WDEREUQCSA-N 1 1 321.337 -1.885 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960651194 664322423 /nfs/dbraw/zinc/32/24/23/664322423.db2.gz SYSQBTORRLUUQM-DCQANWLSSA-N 1 1 309.370 -1.337 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)c1=O ZINC000960646674 664322488 /nfs/dbraw/zinc/32/24/88/664322488.db2.gz JICFUJNBDJIPFK-CIQGVGRVSA-N 1 1 321.381 -1.335 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960648575 664322558 /nfs/dbraw/zinc/32/25/58/664322558.db2.gz NOIVWWHCKLAHOG-SVDPJWKOSA-N 1 1 322.369 -2.237 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1ncnn1)[C@@H]1CCCNC1=O ZINC000960658217 664323042 /nfs/dbraw/zinc/32/30/42/664323042.db2.gz UGRDCBTWPKROFM-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000960690303 664323488 /nfs/dbraw/zinc/32/34/88/664323488.db2.gz GGZZCDDWAXVLRO-SFDCQRBFSA-N 1 1 324.425 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960751344 664323745 /nfs/dbraw/zinc/32/37/45/664323745.db2.gz PQSBRWYXPCVYJW-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O ZINC000960751344 664323748 /nfs/dbraw/zinc/32/37/48/664323748.db2.gz PQSBRWYXPCVYJW-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000960747908 664323831 /nfs/dbraw/zinc/32/38/31/664323831.db2.gz FSUYUXFIFZINSN-MVVXRAEJSA-N 1 1 304.350 -1.081 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 ZINC000960774806 664324386 /nfs/dbraw/zinc/32/43/86/664324386.db2.gz NAIOJRYOKWPUKM-WOFXILAISA-N 1 1 318.333 -1.002 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 ZINC000960774806 664324391 /nfs/dbraw/zinc/32/43/91/664324391.db2.gz NAIOJRYOKWPUKM-WOFXILAISA-N 1 1 318.333 -1.002 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000960766617 664324427 /nfs/dbraw/zinc/32/44/27/664324427.db2.gz AMQLEFWSKFEXGA-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000960753766 664324498 /nfs/dbraw/zinc/32/44/98/664324498.db2.gz XFVOREZXFLYDRW-YABSGUDNSA-N 1 1 304.350 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000960753766 664324502 /nfs/dbraw/zinc/32/45/02/664324502.db2.gz XFVOREZXFLYDRW-YABSGUDNSA-N 1 1 304.350 -1.209 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 ZINC000960790960 664325024 /nfs/dbraw/zinc/32/50/24/664325024.db2.gz MDRQFPPOFPZFIH-GDGBQDQQSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 ZINC000960790960 664325026 /nfs/dbraw/zinc/32/50/26/664325026.db2.gz MDRQFPPOFPZFIH-GDGBQDQQSA-N 1 1 300.322 -1.125 20 0 DAADMO CN1CC[C@H]([N@H+](C)C[C@@H]2CCCN2C(=O)c2nnn(C)n2)C1=O ZINC000960817406 664325328 /nfs/dbraw/zinc/32/53/28/664325328.db2.gz VZOVWNKWTLYEER-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000960844197 664325968 /nfs/dbraw/zinc/32/59/68/664325968.db2.gz JNRSOFVDTNJBNY-COMAGPEQSA-N 1 1 317.349 -1.115 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960865869 664326941 /nfs/dbraw/zinc/32/69/41/664326941.db2.gz YQPSEVAZTYWNLP-GARJFASQSA-N 1 1 310.354 -2.138 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960866803 664327037 /nfs/dbraw/zinc/32/70/37/664327037.db2.gz YLBCDNGNBDKQTM-WDEREUQCSA-N 1 1 321.337 -1.885 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000960889455 664328014 /nfs/dbraw/zinc/32/80/14/664328014.db2.gz BLMNNUUHIWQZLU-MEWQQHAOSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960889455 664328021 /nfs/dbraw/zinc/32/80/21/664328021.db2.gz BLMNNUUHIWQZLU-MEWQQHAOSA-N 1 1 302.396 -1.150 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960954036 664328560 /nfs/dbraw/zinc/32/85/60/664328560.db2.gz IFFMKIKYTUESLX-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc(OC)cn1 ZINC000960967966 664328581 /nfs/dbraw/zinc/32/85/81/664328581.db2.gz IIMCBHZGJDICQD-IAZYJMLFSA-N 1 1 305.338 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc(OC)cn1 ZINC000960967966 664328585 /nfs/dbraw/zinc/32/85/85/664328585.db2.gz IIMCBHZGJDICQD-IAZYJMLFSA-N 1 1 305.338 -1.109 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960952439 664328619 /nfs/dbraw/zinc/32/86/19/664328619.db2.gz BMWZDQOCMBUZHL-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1C ZINC000960981729 664328738 /nfs/dbraw/zinc/32/87/38/664328738.db2.gz XKHWVEFOFKKVMD-PFWNZEGQSA-N 1 1 319.365 -1.023 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960984316 664329082 /nfs/dbraw/zinc/32/90/82/664329082.db2.gz XQLGVPVAUOZWOK-BEYHFKMWSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960984316 664329085 /nfs/dbraw/zinc/32/90/85/664329085.db2.gz XQLGVPVAUOZWOK-BEYHFKMWSA-N 1 1 315.337 -1.113 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000961067253 664330030 /nfs/dbraw/zinc/33/00/30/664330030.db2.gz HJHLSSJYTYDABW-NRYGQCTKSA-N 1 1 309.366 -1.443 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961067899 664330121 /nfs/dbraw/zinc/33/01/21/664330121.db2.gz CZUQYQVZSKCBQH-HRDYMLBCSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961067899 664330124 /nfs/dbraw/zinc/33/01/24/664330124.db2.gz CZUQYQVZSKCBQH-HRDYMLBCSA-N 1 1 307.297 -1.730 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000961107191 664332863 /nfs/dbraw/zinc/33/28/63/664332863.db2.gz XCBCTAWQNUDQNU-NEPJUHHUSA-N 1 1 321.385 -1.281 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)C1 ZINC000961139673 664333329 /nfs/dbraw/zinc/33/33/29/664333329.db2.gz HDWSRZIGEILQDH-OUAUKWLOSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)C1 ZINC000961139673 664333332 /nfs/dbraw/zinc/33/33/32/664333332.db2.gz HDWSRZIGEILQDH-OUAUKWLOSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)C1 ZINC000961143264 664333534 /nfs/dbraw/zinc/33/35/34/664333534.db2.gz KNPLHYWYXHUAEP-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@@H](O)C2)C1 ZINC000961143264 664333537 /nfs/dbraw/zinc/33/35/37/664333537.db2.gz KNPLHYWYXHUAEP-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000961161279 664333608 /nfs/dbraw/zinc/33/36/08/664333608.db2.gz YHSHQXVRQVROOL-NWDGAFQWSA-N 1 1 321.385 -1.281 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000961161282 664334161 /nfs/dbraw/zinc/33/41/61/664334161.db2.gz YHSHQXVRQVROOL-VXGBXAGGSA-N 1 1 321.385 -1.281 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC000961183340 664334545 /nfs/dbraw/zinc/33/45/45/664334545.db2.gz JBDUBRIDVSBNJH-YABSGUDNSA-N 1 1 316.369 -1.038 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961208846 664334756 /nfs/dbraw/zinc/33/47/56/664334756.db2.gz OJSKKVGTIHYLPK-TUAOUCFPSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961208846 664334759 /nfs/dbraw/zinc/33/47/59/664334759.db2.gz OJSKKVGTIHYLPK-TUAOUCFPSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)C1 ZINC000961217745 664335207 /nfs/dbraw/zinc/33/52/07/664335207.db2.gz VWVXMLDHJVVZLY-MDZLAQPJSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)C1 ZINC000961217745 664335209 /nfs/dbraw/zinc/33/52/09/664335209.db2.gz VWVXMLDHJVVZLY-MDZLAQPJSA-N 1 1 323.349 -1.088 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC000961221021 664335214 /nfs/dbraw/zinc/33/52/14/664335214.db2.gz UYNSHRVTUDXLKN-GHMZBOCLSA-N 1 1 321.385 -1.131 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961228730 664335787 /nfs/dbraw/zinc/33/57/87/664335787.db2.gz ZPGODSVHNFZXBA-TXEJJXNPSA-N 1 1 319.365 -1.016 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961290107 664336304 /nfs/dbraw/zinc/33/63/04/664336304.db2.gz UYJMEROHYRMCLM-IZWKTGJZSA-N 1 1 319.365 -1.296 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@@H](O)C2)C1 ZINC000961279003 664336502 /nfs/dbraw/zinc/33/65/02/664336502.db2.gz YDNFUHGIOXVNOQ-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000961317214 664336971 /nfs/dbraw/zinc/33/69/71/664336971.db2.gz YLJWAIXOBDWYFZ-REJLFOLJSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000961317214 664336974 /nfs/dbraw/zinc/33/69/74/664336974.db2.gz YLJWAIXOBDWYFZ-REJLFOLJSA-N 1 1 318.381 -1.112 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CNC(=O)C1 ZINC000961310632 664337171 /nfs/dbraw/zinc/33/71/71/664337171.db2.gz GIPYAJFOFMLBFW-PSHZPRKYSA-N 1 1 320.393 -1.209 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000961334860 664337686 /nfs/dbraw/zinc/33/76/86/664337686.db2.gz ZDSSECTWTFLJSB-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961381840 664337974 /nfs/dbraw/zinc/33/79/74/664337974.db2.gz QZZMXVCGKVPCOW-GDGBQDQQSA-N 1 1 306.322 -1.216 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961381840 664337978 /nfs/dbraw/zinc/33/79/78/664337978.db2.gz QZZMXVCGKVPCOW-GDGBQDQQSA-N 1 1 306.322 -1.216 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1C ZINC000961430938 664339896 /nfs/dbraw/zinc/33/98/96/664339896.db2.gz WDUDRPZPARFSNY-IWIIMEHWSA-N 1 1 319.365 -1.458 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1C ZINC000961430938 664339901 /nfs/dbraw/zinc/33/99/01/664339901.db2.gz WDUDRPZPARFSNY-IWIIMEHWSA-N 1 1 319.365 -1.458 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 ZINC000961438110 664340607 /nfs/dbraw/zinc/34/06/07/664340607.db2.gz FJFFWCKUEKFFGB-IAZYJMLFSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 ZINC000961438110 664340608 /nfs/dbraw/zinc/34/06/08/664340608.db2.gz FJFFWCKUEKFFGB-IAZYJMLFSA-N 1 1 300.322 -1.125 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1C ZINC000961446185 664341017 /nfs/dbraw/zinc/34/10/17/664341017.db2.gz WZYHWKJPLPXKMV-GDGBQDQQSA-N 1 1 305.338 -1.056 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1C ZINC000961446185 664341022 /nfs/dbraw/zinc/34/10/22/664341022.db2.gz WZYHWKJPLPXKMV-GDGBQDQQSA-N 1 1 305.338 -1.056 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccccc1C(N)=O ZINC000961445456 664341078 /nfs/dbraw/zinc/34/10/78/664341078.db2.gz RWZBECNPQVTMRZ-JYAVWHMHSA-N 1 1 316.361 -1.140 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccccc1C(N)=O ZINC000961445456 664341083 /nfs/dbraw/zinc/34/10/83/664341083.db2.gz RWZBECNPQVTMRZ-JYAVWHMHSA-N 1 1 316.361 -1.140 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)cn1 ZINC000961457425 664341433 /nfs/dbraw/zinc/34/14/33/664341433.db2.gz AMZMJGHQYDKTPA-UPJWGTAASA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC000961453025 664341739 /nfs/dbraw/zinc/34/17/39/664341739.db2.gz LXNQSMKKINLEOY-DCQANWLSSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC000961453025 664341742 /nfs/dbraw/zinc/34/17/42/664341742.db2.gz LXNQSMKKINLEOY-DCQANWLSSA-N 1 1 306.366 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC ZINC000961448546 664341845 /nfs/dbraw/zinc/34/18/45/664341845.db2.gz IUSHAZVIBKXXSB-GDGBQDQQSA-N 1 1 307.354 -1.165 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC ZINC000961448546 664341847 /nfs/dbraw/zinc/34/18/47/664341847.db2.gz IUSHAZVIBKXXSB-GDGBQDQQSA-N 1 1 307.354 -1.165 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000961450437 664341863 /nfs/dbraw/zinc/34/18/63/664341863.db2.gz CYSDRKPGJZMHHR-NDBYEHHHSA-N 1 1 318.381 -1.020 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000961450437 664341866 /nfs/dbraw/zinc/34/18/66/664341866.db2.gz CYSDRKPGJZMHHR-NDBYEHHHSA-N 1 1 318.381 -1.020 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)NC1=O ZINC000961462584 664342210 /nfs/dbraw/zinc/34/22/10/664342210.db2.gz CBDGGMLAGLEMFU-XZUYRWCXSA-N 1 1 321.381 -1.711 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCNC1=O ZINC000961482684 664343157 /nfs/dbraw/zinc/34/31/57/664343157.db2.gz PQVDJFMJKRWLGR-NNYUYHANSA-N 1 1 304.354 -1.539 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC000961482128 664343431 /nfs/dbraw/zinc/34/34/31/664343431.db2.gz TYBQCHKLCAHOMJ-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC000961482128 664343434 /nfs/dbraw/zinc/34/34/34/664343434.db2.gz TYBQCHKLCAHOMJ-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1)OC ZINC000961479519 664343488 /nfs/dbraw/zinc/34/34/88/664343488.db2.gz MWUNSKIDAYHYQW-FOCJUVANSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961499511 664343866 /nfs/dbraw/zinc/34/38/66/664343866.db2.gz RUQPQEFQTHRGBJ-AXTSPUMRSA-N 1 1 307.358 -1.653 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@H]32)n1 ZINC000961502314 664344264 /nfs/dbraw/zinc/34/42/64/664344264.db2.gz DDGFYYVSBPFVOU-ZRUFSTJUSA-N 1 1 319.369 -1.509 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)n1 ZINC000961505081 664344400 /nfs/dbraw/zinc/34/44/00/664344400.db2.gz MJMGSXMGUFTYDH-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)n1 ZINC000961505081 664344404 /nfs/dbraw/zinc/34/44/04/664344404.db2.gz MJMGSXMGUFTYDH-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)n1 ZINC000961505799 664344423 /nfs/dbraw/zinc/34/44/23/664344423.db2.gz PCPCSIJLTVNJGD-QCLAVDOMSA-N 1 1 305.342 -1.851 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)C1 ZINC000961542725 664345921 /nfs/dbraw/zinc/34/59/21/664345921.db2.gz WJVFFAMFRWIYRB-FRRDWIJNSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccoc3)[C@@H](O)C2)C1 ZINC000961542725 664345923 /nfs/dbraw/zinc/34/59/23/664345923.db2.gz WJVFFAMFRWIYRB-FRRDWIJNSA-N 1 1 323.349 -1.088 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1=O ZINC000961543172 664345994 /nfs/dbraw/zinc/34/59/94/664345994.db2.gz RETCKBWZUNRONA-NMKXLXIOSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1=O ZINC000961543172 664345996 /nfs/dbraw/zinc/34/59/96/664345996.db2.gz RETCKBWZUNRONA-NMKXLXIOSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1 ZINC000961557497 664346478 /nfs/dbraw/zinc/34/64/78/664346478.db2.gz NXSIWJCDOHYLRH-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000961558398 664346574 /nfs/dbraw/zinc/34/65/74/664346574.db2.gz LMWFPVGLUPZSIM-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000961558398 664346576 /nfs/dbraw/zinc/34/65/76/664346576.db2.gz LMWFPVGLUPZSIM-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC000961588815 664347031 /nfs/dbraw/zinc/34/70/31/664347031.db2.gz XOQOYDVWVPJMTA-DEKYYXRVSA-N 1 1 308.382 -1.258 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000961587902 664347149 /nfs/dbraw/zinc/34/71/49/664347149.db2.gz WGZAVPHKHFCPMD-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961602836 664347671 /nfs/dbraw/zinc/34/76/71/664347671.db2.gz VHXRPGQXCXWLGI-RBQUTUCGSA-N 1 1 318.381 -1.548 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961602836 664347674 /nfs/dbraw/zinc/34/76/74/664347674.db2.gz VHXRPGQXCXWLGI-RBQUTUCGSA-N 1 1 318.381 -1.548 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCO)C[C@H]31)CC2 ZINC000961611540 664347769 /nfs/dbraw/zinc/34/77/69/664347769.db2.gz WAXYPFUZENYMHN-KZWBYHQPSA-N 1 1 305.382 -1.041 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000961621283 664347883 /nfs/dbraw/zinc/34/78/83/664347883.db2.gz GNZMDXJPYLOGAK-IWIIMEHWSA-N 1 1 315.337 -1.278 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC000961626026 664348184 /nfs/dbraw/zinc/34/81/84/664348184.db2.gz FVZKGGQUWVPBLT-SRRSOLGSSA-N 1 1 321.381 -1.665 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961623372 664348487 /nfs/dbraw/zinc/34/84/87/664348487.db2.gz NBAWSAXNAIQKRV-WOFXILAISA-N 1 1 305.338 -1.482 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)C1=O ZINC000961628714 664348888 /nfs/dbraw/zinc/34/88/88/664348888.db2.gz VTQOPQKDZDAOQH-IZWKTGJZSA-N 1 1 317.349 -1.339 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC000961640224 664349313 /nfs/dbraw/zinc/34/93/13/664349313.db2.gz OQRIZBMYBISOTE-IAZYJMLFSA-N 1 1 310.354 -2.187 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC000961640224 664349315 /nfs/dbraw/zinc/34/93/15/664349315.db2.gz OQRIZBMYBISOTE-IAZYJMLFSA-N 1 1 310.354 -2.187 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961639686 664349388 /nfs/dbraw/zinc/34/93/88/664349388.db2.gz OARIHFCDLLAQIL-XZUYRWCXSA-N 1 1 321.381 -1.663 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)n1 ZINC000961633255 664349422 /nfs/dbraw/zinc/34/94/22/664349422.db2.gz XOKJMLAUARMAQS-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)n1 ZINC000961633255 664349424 /nfs/dbraw/zinc/34/94/24/664349424.db2.gz XOKJMLAUARMAQS-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC000961633524 664349477 /nfs/dbraw/zinc/34/94/77/664349477.db2.gz ZAWGKSPZCFUMSN-SRRSOLGSSA-N 1 1 321.381 -1.663 20 0 DAADMO COc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)c(C)n1 ZINC000961641494 664349763 /nfs/dbraw/zinc/34/97/63/664349763.db2.gz RMNOHCGNJQNEDD-URLYPYJESA-N 1 1 305.338 -1.175 20 0 DAADMO COc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)c(C)n1 ZINC000961641494 664349768 /nfs/dbraw/zinc/34/97/68/664349768.db2.gz RMNOHCGNJQNEDD-URLYPYJESA-N 1 1 305.338 -1.175 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961641728 664349811 /nfs/dbraw/zinc/34/98/11/664349811.db2.gz TWNVWEHJKJEAOM-VROVMSAKSA-N 1 1 309.326 -3.524 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961641728 664349815 /nfs/dbraw/zinc/34/98/15/664349815.db2.gz TWNVWEHJKJEAOM-VROVMSAKSA-N 1 1 309.326 -3.524 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000961640952 664350122 /nfs/dbraw/zinc/35/01/22/664350122.db2.gz QRURZBHKGYKFCY-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000961640952 664350125 /nfs/dbraw/zinc/35/01/25/664350125.db2.gz QRURZBHKGYKFCY-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(C)(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1=O ZINC000961653496 664350467 /nfs/dbraw/zinc/35/04/67/664350467.db2.gz ZLPSZSDXRLWKOR-YTWAJWBKSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961651717 664350597 /nfs/dbraw/zinc/35/05/97/664350597.db2.gz AAULJXMFOHNGKB-WYUUTHIRSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC000961652065 664350749 /nfs/dbraw/zinc/35/07/49/664350749.db2.gz WDPPAAQQXMOIAI-ZNSHCXBVSA-N 1 1 315.395 -1.657 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC000961655792 664350911 /nfs/dbraw/zinc/35/09/11/664350911.db2.gz LUKIDUAKDDVJKA-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000961655905 664351147 /nfs/dbraw/zinc/35/11/47/664351147.db2.gz HRYKIWPJOBSZFT-MBTKJCJQSA-N 1 1 309.326 -2.540 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000961660897 664351157 /nfs/dbraw/zinc/35/11/57/664351157.db2.gz UCDITPCOSSIECT-APOZVJGGSA-N 1 1 324.337 -2.972 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC000961671318 664351513 /nfs/dbraw/zinc/35/15/13/664351513.db2.gz ORQOURXETHHYFM-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)CC[N@H+]1C ZINC000961665118 664351605 /nfs/dbraw/zinc/35/16/05/664351605.db2.gz MNFNNNQGSBSCLE-WISYIIOYSA-N 1 1 308.382 -1.271 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961669830 664351890 /nfs/dbraw/zinc/35/18/90/664351890.db2.gz CIUDZIFQIVMNSK-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1=O ZINC000961670475 664351937 /nfs/dbraw/zinc/35/19/37/664351937.db2.gz QRJRORHKTUCJEK-BRPSZJMVSA-N 1 1 323.353 -2.152 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961752857 664355410 /nfs/dbraw/zinc/35/54/10/664355410.db2.gz LBNPPDQKJJXGCR-JCRCQARHSA-N 1 1 316.361 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C ZINC000961755256 664355703 /nfs/dbraw/zinc/35/57/03/664355703.db2.gz SFRFNPWHQHUWJZ-QISWUMQESA-N 1 1 304.350 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C ZINC000961755251 664355821 /nfs/dbraw/zinc/35/58/21/664355821.db2.gz SFRFNPWHQHUWJZ-DNJQJEMRSA-N 1 1 304.350 -1.081 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3cc(=O)n(C)o3)C2)n1 ZINC000961777473 664355961 /nfs/dbraw/zinc/35/59/61/664355961.db2.gz YIAWJHHEWXNOIG-UHFFFAOYSA-N 1 1 321.341 -1.200 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC000961789711 664356365 /nfs/dbraw/zinc/35/63/65/664356365.db2.gz HSLNPGRWMBYQGA-HACHORDNSA-N 1 1 309.330 -1.697 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961780921 664356404 /nfs/dbraw/zinc/35/64/04/664356404.db2.gz ODDOYIISLIAWBC-JDICNCQASA-N 1 1 305.338 -1.480 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961780921 664356408 /nfs/dbraw/zinc/35/64/08/664356408.db2.gz ODDOYIISLIAWBC-JDICNCQASA-N 1 1 305.338 -1.480 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC000961791879 664356846 /nfs/dbraw/zinc/35/68/46/664356846.db2.gz UPFVSQNGXGQGOR-IZLWQMGWSA-N 1 1 317.349 -1.338 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000961793361 664357023 /nfs/dbraw/zinc/35/70/23/664357023.db2.gz YJNVQXTTZDSKEX-MOWSAHLDSA-N 1 1 320.393 -1.223 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000961817280 664357243 /nfs/dbraw/zinc/35/72/43/664357243.db2.gz QPHFEXZJYKLSTG-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000961837570 664358358 /nfs/dbraw/zinc/35/83/58/664358358.db2.gz HLNAQEMLENWWCF-WXHSDQCUSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000961883342 664359660 /nfs/dbraw/zinc/35/96/60/664359660.db2.gz GZLVQTPTUXPFMA-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961877533 664359712 /nfs/dbraw/zinc/35/97/12/664359712.db2.gz NUVRPSJXZVCFNJ-ADEWGFFLSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)C1 ZINC000961877533 664359714 /nfs/dbraw/zinc/35/97/14/664359714.db2.gz NUVRPSJXZVCFNJ-ADEWGFFLSA-N 1 1 324.337 -1.693 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)Cn3nccn3)C2)n1 ZINC000961884969 664359811 /nfs/dbraw/zinc/35/98/11/664359811.db2.gz BFXJJOFPOWESAP-UHFFFAOYSA-N 1 1 305.346 -1.514 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894033 664360110 /nfs/dbraw/zinc/36/01/10/664360110.db2.gz DOBNCLAEBVNPAR-BBGACYKPSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894033 664360114 /nfs/dbraw/zinc/36/01/14/664360114.db2.gz DOBNCLAEBVNPAR-BBGACYKPSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894033 664360117 /nfs/dbraw/zinc/36/01/17/664360117.db2.gz DOBNCLAEBVNPAR-BBGACYKPSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894035 664360413 /nfs/dbraw/zinc/36/04/13/664360413.db2.gz DOBNCLAEBVNPAR-DEKYYXRVSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894035 664360417 /nfs/dbraw/zinc/36/04/17/664360417.db2.gz DOBNCLAEBVNPAR-DEKYYXRVSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961894035 664360420 /nfs/dbraw/zinc/36/04/20/664360420.db2.gz DOBNCLAEBVNPAR-DEKYYXRVSA-N 1 1 317.349 -1.196 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)C1CCS(=O)(=O)CC1 ZINC000961911955 664360663 /nfs/dbraw/zinc/36/06/63/664360663.db2.gz PMNANXYQMCEPRS-GDNZZTSVSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CCS(=O)(=O)CC1 ZINC000961911955 664360665 /nfs/dbraw/zinc/36/06/65/664360665.db2.gz PMNANXYQMCEPRS-GDNZZTSVSA-N 1 1 302.396 -1.150 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1O ZINC000961927346 664361287 /nfs/dbraw/zinc/36/12/87/664361287.db2.gz GEGMZDKECQLTPJ-UTUOFQBUSA-N 1 1 313.398 -1.071 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1O ZINC000961923394 664361302 /nfs/dbraw/zinc/36/13/02/664361302.db2.gz KZZFJOWWGNUEKS-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961923351 664361369 /nfs/dbraw/zinc/36/13/69/664361369.db2.gz JZIVJLJHOJCVST-WZRBSPASSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC000961921909 664361465 /nfs/dbraw/zinc/36/14/65/664361465.db2.gz CCKLREYBSHSTSP-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000961927586 664361496 /nfs/dbraw/zinc/36/14/96/664361496.db2.gz ICYOYSPQAVGTFN-VWYCJHECSA-N 1 1 309.326 -1.535 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC000961927391 664361594 /nfs/dbraw/zinc/36/15/94/664361594.db2.gz GTXJJYZHWZTVST-WXHSDQCUSA-N 1 1 321.381 -1.184 20 0 DAADMO CCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000961918991 664361752 /nfs/dbraw/zinc/36/17/52/664361752.db2.gz DJRKPNDWSRTEDC-KZWBYHQPSA-N 1 1 308.382 -1.223 20 0 DAADMO CCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000961918991 664361754 /nfs/dbraw/zinc/36/17/54/664361754.db2.gz DJRKPNDWSRTEDC-KZWBYHQPSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000961926752 664361841 /nfs/dbraw/zinc/36/18/41/664361841.db2.gz BNYNAWWEAKDGTG-BBBLOLIVSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000961926752 664361844 /nfs/dbraw/zinc/36/18/44/664361844.db2.gz BNYNAWWEAKDGTG-BBBLOLIVSA-N 1 1 308.342 -1.800 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)[nH]1 ZINC000961921071 664361857 /nfs/dbraw/zinc/36/18/57/664361857.db2.gz UECYZUDQWGLICU-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC000961922391 664361869 /nfs/dbraw/zinc/36/18/69/664361869.db2.gz WDTJQSWJJCROKS-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O ZINC000961929472 664362072 /nfs/dbraw/zinc/36/20/72/664362072.db2.gz XTNRSIHJRSEEJF-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000961928708 664362260 /nfs/dbraw/zinc/36/22/60/664362260.db2.gz SSFCVXNAILYVGB-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000961928708 664362263 /nfs/dbraw/zinc/36/22/63/664362263.db2.gz SSFCVXNAILYVGB-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961933235 664362609 /nfs/dbraw/zinc/36/26/09/664362609.db2.gz RWUSHGQJIYDHRG-UTLUCORTSA-N 1 1 323.357 -2.394 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961929040 664362618 /nfs/dbraw/zinc/36/26/18/664362618.db2.gz DDMRAMLGZGUWFI-IAZYJMLFSA-N 1 1 322.365 -1.610 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1 ZINC000961981783 664363402 /nfs/dbraw/zinc/36/34/02/664363402.db2.gz AQPNWSZOGZFMIZ-RTXFEEFZSA-N 1 1 322.365 -1.143 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961963535 664363517 /nfs/dbraw/zinc/36/35/17/664363517.db2.gz GXQURJWISVGWHK-UPJWGTAASA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC000961962156 664363586 /nfs/dbraw/zinc/36/35/86/664363586.db2.gz BOHDXKPEYLUCEA-MXWKQRLJSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC000961963420 664363718 /nfs/dbraw/zinc/36/37/18/664363718.db2.gz DPPNNWSOKXEKGX-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC000962007093 664364460 /nfs/dbraw/zinc/36/44/60/664364460.db2.gz QNZVFZIRQBVFSO-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)S1(=O)=O ZINC000962009794 664364525 /nfs/dbraw/zinc/36/45/25/664364525.db2.gz KWLIGSPVFORDHY-LOKLDPHHSA-N 1 1 316.383 -2.448 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)S1(=O)=O ZINC000962009794 664364530 /nfs/dbraw/zinc/36/45/30/664364530.db2.gz KWLIGSPVFORDHY-LOKLDPHHSA-N 1 1 316.383 -2.448 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962023602 664364987 /nfs/dbraw/zinc/36/49/87/664364987.db2.gz WRMASDAUMAGLJH-PVTKRXDGSA-N 1 1 320.393 -1.020 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962023602 664364989 /nfs/dbraw/zinc/36/49/89/664364989.db2.gz WRMASDAUMAGLJH-PVTKRXDGSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)S1(=O)=O ZINC000962014467 664365210 /nfs/dbraw/zinc/36/52/10/664365210.db2.gz ZCTAXMFIJQJKIL-WHOHXGKFSA-N 1 1 317.411 -1.551 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962036438 664365764 /nfs/dbraw/zinc/36/57/64/664365764.db2.gz XPVIUQXAOFPSMB-MPXOCVNLSA-N 1 1 322.365 -1.651 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC000962044852 664365985 /nfs/dbraw/zinc/36/59/85/664365985.db2.gz QETAEESUIGLKTH-UXCLJVHYSA-N 1 1 306.370 -1.048 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)n1 ZINC000962043336 664366100 /nfs/dbraw/zinc/36/61/00/664366100.db2.gz LSNMOAMCHCBWKF-BSJXLVFVSA-N 1 1 304.354 -1.246 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000962044630 664366111 /nfs/dbraw/zinc/36/61/11/664366111.db2.gz BHJFDYMFEKXOGZ-UTLUCORTSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000962044630 664366115 /nfs/dbraw/zinc/36/61/15/664366115.db2.gz BHJFDYMFEKXOGZ-UTLUCORTSA-N 1 1 324.341 -2.563 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045264 664366174 /nfs/dbraw/zinc/36/61/74/664366174.db2.gz CZTSTKGNYKKEBT-ITBIHOCOSA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045264 664366176 /nfs/dbraw/zinc/36/61/76/664366176.db2.gz CZTSTKGNYKKEBT-ITBIHOCOSA-N 1 1 311.382 -1.029 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045410 664366249 /nfs/dbraw/zinc/36/62/49/664366249.db2.gz GPWSVQPQXPCKEN-OUAUKWLOSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045410 664366252 /nfs/dbraw/zinc/36/62/52/664366252.db2.gz GPWSVQPQXPCKEN-OUAUKWLOSA-N 1 1 301.343 -2.349 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)C1 ZINC000962045378 664366285 /nfs/dbraw/zinc/36/62/85/664366285.db2.gz FWELQPCPAQTVAI-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)C1 ZINC000962045378 664366287 /nfs/dbraw/zinc/36/62/87/664366287.db2.gz FWELQPCPAQTVAI-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000962046315 664366318 /nfs/dbraw/zinc/36/63/18/664366318.db2.gz ILZCCNUBUCMEOZ-OUAUKWLOSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2O)C1 ZINC000962046315 664366321 /nfs/dbraw/zinc/36/63/21/664366321.db2.gz ILZCCNUBUCMEOZ-OUAUKWLOSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000962047514 664366533 /nfs/dbraw/zinc/36/65/33/664366533.db2.gz OMQVMKCSSKTDHH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000962047514 664366536 /nfs/dbraw/zinc/36/65/36/664366536.db2.gz OMQVMKCSSKTDHH-GRYCIOLGSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000962053548 664366642 /nfs/dbraw/zinc/36/66/42/664366642.db2.gz BBPICTFQRITGNS-OUAUKWLOSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000962053548 664366644 /nfs/dbraw/zinc/36/66/44/664366644.db2.gz BBPICTFQRITGNS-OUAUKWLOSA-N 1 1 324.341 -2.563 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962060887 664366715 /nfs/dbraw/zinc/36/67/15/664366715.db2.gz PRKQXXNZCRLMTA-PUHVVEEASA-N 1 1 322.365 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000962048206 664366875 /nfs/dbraw/zinc/36/68/75/664366875.db2.gz QITOPKHFSREYEJ-WOPDTQHZSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000962048206 664366878 /nfs/dbraw/zinc/36/68/78/664366878.db2.gz QITOPKHFSREYEJ-WOPDTQHZSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000962048452 664366959 /nfs/dbraw/zinc/36/69/59/664366959.db2.gz RQDPNCMYYYEQSR-VGMNWLOBSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000962048452 664366961 /nfs/dbraw/zinc/36/69/61/664366961.db2.gz RQDPNCMYYYEQSR-VGMNWLOBSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2O)C1 ZINC000962048590 664366972 /nfs/dbraw/zinc/36/69/72/664366972.db2.gz SQIPOBBRFCQKNE-HZSPNIEDSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2O)C1 ZINC000962048590 664366976 /nfs/dbraw/zinc/36/69/76/664366976.db2.gz SQIPOBBRFCQKNE-HZSPNIEDSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000962053917 664367043 /nfs/dbraw/zinc/36/70/43/664367043.db2.gz FFRUOKUSGNDKJW-SCVCMEIPSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000962053917 664367046 /nfs/dbraw/zinc/36/70/46/664367046.db2.gz FFRUOKUSGNDKJW-SCVCMEIPSA-N 1 1 324.337 -1.693 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1nnc[nH]1 ZINC000962083702 664367468 /nfs/dbraw/zinc/36/74/68/664367468.db2.gz MENSDCPRBZWEIN-MBTKJCJQSA-N 1 1 319.325 -1.984 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962083702 664367470 /nfs/dbraw/zinc/36/74/70/664367470.db2.gz MENSDCPRBZWEIN-MBTKJCJQSA-N 1 1 319.325 -1.984 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962083702 664367472 /nfs/dbraw/zinc/36/74/72/664367472.db2.gz MENSDCPRBZWEIN-MBTKJCJQSA-N 1 1 319.325 -1.984 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962071654 664367555 /nfs/dbraw/zinc/36/75/55/664367555.db2.gz DEOKTLAXRNFVJT-IMSYWVGJSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962071654 664367556 /nfs/dbraw/zinc/36/75/56/664367556.db2.gz DEOKTLAXRNFVJT-IMSYWVGJSA-N 1 1 315.337 -1.342 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962069456 664367562 /nfs/dbraw/zinc/36/75/62/664367562.db2.gz WFLCRYBXHCLAOA-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000962071439 664367576 /nfs/dbraw/zinc/36/75/76/664367576.db2.gz FGUYSJRUGVGCIX-WOFXILAISA-N 1 1 305.338 -1.592 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000962071439 664367577 /nfs/dbraw/zinc/36/75/77/664367577.db2.gz FGUYSJRUGVGCIX-WOFXILAISA-N 1 1 305.338 -1.592 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cnon1 ZINC000962101884 664367890 /nfs/dbraw/zinc/36/78/90/664367890.db2.gz RABPPUHDIQGOQG-VROVMSAKSA-N 1 1 320.309 -1.719 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cn(C[C@H]2CCOC2)nn1 ZINC000962176067 664369342 /nfs/dbraw/zinc/36/93/42/664369342.db2.gz MHXHSYAULMMKCN-NMKXLXIOSA-N 1 1 321.381 -1.033 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962191440 664369391 /nfs/dbraw/zinc/36/93/91/664369391.db2.gz JVXHOOOMKIWENS-JZYVYDRUSA-N 1 1 310.354 -1.645 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC000962197826 664369845 /nfs/dbraw/zinc/36/98/45/664369845.db2.gz FVDQRBVCVDMEMC-ILDUYXDCSA-N 1 1 321.385 -1.327 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962220677 664370131 /nfs/dbraw/zinc/37/01/31/664370131.db2.gz GKSISNGNRXMESA-DCQANWLSSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962220677 664370133 /nfs/dbraw/zinc/37/01/33/664370133.db2.gz GKSISNGNRXMESA-DCQANWLSSA-N 1 1 308.382 -1.081 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962231803 664370177 /nfs/dbraw/zinc/37/01/77/664370177.db2.gz WYZKOJQNZIIMES-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000962232060 664370345 /nfs/dbraw/zinc/37/03/45/664370345.db2.gz QQQIHEGBALWWGK-QISWUMQESA-N 1 1 320.353 -1.615 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn([C@H]2CCOC2)nn1 ZINC000962232060 664370347 /nfs/dbraw/zinc/37/03/47/664370347.db2.gz QQQIHEGBALWWGK-QISWUMQESA-N 1 1 320.353 -1.615 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)N1CC[C@@H](C)C1 ZINC000962239040 664370670 /nfs/dbraw/zinc/37/06/70/664370670.db2.gz WSUWPNWGEMPGNJ-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)N1CC[C@@H](C)C1 ZINC000962239040 664370672 /nfs/dbraw/zinc/37/06/72/664370672.db2.gz WSUWPNWGEMPGNJ-DCQANWLSSA-N 1 1 308.382 -1.353 20 0 DAADMO CC(C)(C)n1nnc(C[NH2+]CC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962249944 664370708 /nfs/dbraw/zinc/37/07/08/664370708.db2.gz RUYPJLUJAJWAHZ-UHFFFAOYSA-N 1 1 309.374 -1.102 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962236168 664370740 /nfs/dbraw/zinc/37/07/40/664370740.db2.gz NJHFFSATXUCLIV-NMKXLXIOSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000962250503 664371284 /nfs/dbraw/zinc/37/12/84/664371284.db2.gz OUIBFPMYAVZRCS-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]n2)C1=O ZINC000962260246 664371753 /nfs/dbraw/zinc/37/17/53/664371753.db2.gz IWJRCBISVRCKKG-COMAGPEQSA-N 1 1 304.354 -1.376 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1=O ZINC000962260246 664371754 /nfs/dbraw/zinc/37/17/54/664371754.db2.gz IWJRCBISVRCKKG-COMAGPEQSA-N 1 1 304.354 -1.376 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1=O ZINC000962260246 664371756 /nfs/dbraw/zinc/37/17/56/664371756.db2.gz IWJRCBISVRCKKG-COMAGPEQSA-N 1 1 304.354 -1.376 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC000962273547 664371766 /nfs/dbraw/zinc/37/17/66/664371766.db2.gz RMYNUROAUOPVGA-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC000962273547 664371768 /nfs/dbraw/zinc/37/17/68/664371768.db2.gz RMYNUROAUOPVGA-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962262285 664371877 /nfs/dbraw/zinc/37/18/77/664371877.db2.gz NARHRSFUDYINFA-QISWUMQESA-N 1 1 306.370 -1.130 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262285 664371880 /nfs/dbraw/zinc/37/18/80/664371880.db2.gz NARHRSFUDYINFA-QISWUMQESA-N 1 1 306.370 -1.130 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262285 664371883 /nfs/dbraw/zinc/37/18/83/664371883.db2.gz NARHRSFUDYINFA-QISWUMQESA-N 1 1 306.370 -1.130 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000962277098 664371959 /nfs/dbraw/zinc/37/19/59/664371959.db2.gz DZBDFCHMKUYXBA-NMSKTSORSA-N 1 1 304.354 -1.559 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000962277098 664371964 /nfs/dbraw/zinc/37/19/64/664371964.db2.gz DZBDFCHMKUYXBA-NMSKTSORSA-N 1 1 304.354 -1.559 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962275271 664372012 /nfs/dbraw/zinc/37/20/12/664372012.db2.gz AHSQXLWYBAFDEY-JIGDXULJSA-N 1 1 310.310 -1.451 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962286745 664372348 /nfs/dbraw/zinc/37/23/48/664372348.db2.gz KTFBYZDAPYVDPO-PUHVVEEASA-N 1 1 324.381 -1.038 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000962290459 664372526 /nfs/dbraw/zinc/37/25/26/664372526.db2.gz URZLZDGAPYXWFB-GDGBQDQQSA-N 1 1 318.337 -1.276 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962342413 664373374 /nfs/dbraw/zinc/37/33/74/664373374.db2.gz DTYVLYFQXNPHCW-SRRSOLGSSA-N 1 1 321.381 -1.663 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)n1 ZINC000962354282 664373818 /nfs/dbraw/zinc/37/38/18/664373818.db2.gz SGYWWHYWAIRXJM-JYAVWHMHSA-N 1 1 306.366 -1.019 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)ccc1=O ZINC000962351014 664374102 /nfs/dbraw/zinc/37/41/02/664374102.db2.gz DHUHVAGNJPZINM-HBYGRHMLSA-N 1 1 319.365 -1.656 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)ccc1=O ZINC000962351014 664374104 /nfs/dbraw/zinc/37/41/04/664374104.db2.gz DHUHVAGNJPZINM-HBYGRHMLSA-N 1 1 319.365 -1.656 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000962391029 664374536 /nfs/dbraw/zinc/37/45/36/664374536.db2.gz FLHCEXHEQGDLPN-KIGUWFBYSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000962391029 664374539 /nfs/dbraw/zinc/37/45/39/664374539.db2.gz FLHCEXHEQGDLPN-KIGUWFBYSA-N 1 1 308.382 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC000962423069 664375597 /nfs/dbraw/zinc/37/55/97/664375597.db2.gz BIRLVGNBLGNUFN-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC000962423069 664375600 /nfs/dbraw/zinc/37/56/00/664375600.db2.gz BIRLVGNBLGNUFN-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962431683 664376030 /nfs/dbraw/zinc/37/60/30/664376030.db2.gz OMRDXAVGOOGSLV-WUWHUORYSA-N 1 1 323.397 -1.028 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962439103 664376172 /nfs/dbraw/zinc/37/61/72/664376172.db2.gz UBNGJZGDKDLTKE-SRRSOLGSSA-N 1 1 310.354 -2.235 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962439103 664376175 /nfs/dbraw/zinc/37/61/75/664376175.db2.gz UBNGJZGDKDLTKE-SRRSOLGSSA-N 1 1 310.354 -2.235 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC000962458566 664376451 /nfs/dbraw/zinc/37/64/51/664376451.db2.gz YDDRHAQKXQTWLT-JZYVYDRUSA-N 1 1 310.354 -1.645 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962478207 664376900 /nfs/dbraw/zinc/37/69/00/664376900.db2.gz VQJYRGKCQGTQPI-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962478423 664376964 /nfs/dbraw/zinc/37/69/64/664376964.db2.gz XAQNQZQYOBTNMS-XZUYRWCXSA-N 1 1 304.354 -1.445 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962480330 664376978 /nfs/dbraw/zinc/37/69/78/664376978.db2.gz CUPXHNDDCGCVGL-QISWUMQESA-N 1 1 310.354 -1.381 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCCC1=O ZINC000962474776 664377146 /nfs/dbraw/zinc/37/71/46/664377146.db2.gz LMCTVJJDBODVBH-HBYGRHMLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCCCC1=O ZINC000962474776 664377147 /nfs/dbraw/zinc/37/71/47/664377147.db2.gz LMCTVJJDBODVBH-HBYGRHMLSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000962489644 664377430 /nfs/dbraw/zinc/37/74/30/664377430.db2.gz QSOUBUSGYUCQIQ-XZUYRWCXSA-N 1 1 304.354 -1.397 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482597 664377483 /nfs/dbraw/zinc/37/74/83/664377483.db2.gz KNXCTNULGLMYHT-XBWDGYHZSA-N 1 1 323.353 -2.199 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482597 664377485 /nfs/dbraw/zinc/37/74/85/664377485.db2.gz KNXCTNULGLMYHT-XBWDGYHZSA-N 1 1 323.353 -2.199 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962485650 664377500 /nfs/dbraw/zinc/37/75/00/664377500.db2.gz SKICHARXUPNCGQ-SREGZZRCSA-N 1 1 323.353 -2.152 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962482737 664377587 /nfs/dbraw/zinc/37/75/87/664377587.db2.gz LDDRYIKHJPZAQZ-PUHVVEEASA-N 1 1 322.365 -1.379 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962484685 664377645 /nfs/dbraw/zinc/37/76/45/664377645.db2.gz ORGWCTIFQMFRPO-XBWDGYHZSA-N 1 1 323.353 -2.281 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962514608 664377927 /nfs/dbraw/zinc/37/79/27/664377927.db2.gz WBQHXYFABRKAEB-IMSYWVGJSA-N 1 1 305.338 -1.384 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497582 664378070 /nfs/dbraw/zinc/37/80/70/664378070.db2.gz TTWOSBJQKGANAW-NMSKTSORSA-N 1 1 308.338 -1.944 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497582 664378073 /nfs/dbraw/zinc/37/80/73/664378073.db2.gz TTWOSBJQKGANAW-NMSKTSORSA-N 1 1 308.338 -1.944 20 0 DAADMO O=C(Cc1nnc[nH]1)NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000962513932 664378121 /nfs/dbraw/zinc/37/81/21/664378121.db2.gz OTJXEZOCKWAKQR-RTBKNWGFSA-N 1 1 320.353 -1.363 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962506567 664378144 /nfs/dbraw/zinc/37/81/44/664378144.db2.gz DSTMNOAPRNTRAP-RBXMUDONSA-N 1 1 318.337 -1.891 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962506567 664378147 /nfs/dbraw/zinc/37/81/47/664378147.db2.gz DSTMNOAPRNTRAP-RBXMUDONSA-N 1 1 318.337 -1.891 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962515735 664378297 /nfs/dbraw/zinc/37/82/97/664378297.db2.gz ZAQNTAUJXMKAPK-AEISUSGSSA-N 1 1 322.365 -1.554 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962546107 664378980 /nfs/dbraw/zinc/37/89/80/664378980.db2.gz QFXRHXOMKFGFHJ-PJXYFTJBSA-N 1 1 317.411 -2.245 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962549306 664379142 /nfs/dbraw/zinc/37/91/42/664379142.db2.gz BXNMBJDNPBBSMV-IWIIMEHWSA-N 1 1 302.338 -1.295 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962580972 664379511 /nfs/dbraw/zinc/37/95/11/664379511.db2.gz XIPJFEXXKKSHQY-IWIIMEHWSA-N 1 1 319.365 -1.138 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC000962584904 664379750 /nfs/dbraw/zinc/37/97/50/664379750.db2.gz DVVGAEHZEYTIQC-YABSGUDNSA-N 1 1 316.369 -1.038 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962578362 664379793 /nfs/dbraw/zinc/37/97/93/664379793.db2.gz QSDFUWWKVSVSPC-BXSSEVMYSA-N 1 1 319.365 -1.092 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962609322 664380102 /nfs/dbraw/zinc/38/01/02/664380102.db2.gz SKHHJAJXJLAFAD-JIOCBJNQSA-N 1 1 302.356 -2.790 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962609322 664380104 /nfs/dbraw/zinc/38/01/04/664380104.db2.gz SKHHJAJXJLAFAD-JIOCBJNQSA-N 1 1 302.356 -2.790 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962609327 664380356 /nfs/dbraw/zinc/38/03/56/664380356.db2.gz SKHHJAJXJLAFAD-PYHGXSLLSA-N 1 1 302.356 -2.790 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962609327 664380359 /nfs/dbraw/zinc/38/03/59/664380359.db2.gz SKHHJAJXJLAFAD-PYHGXSLLSA-N 1 1 302.356 -2.790 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@H]1CCCS1(=O)=O ZINC000962652348 664381762 /nfs/dbraw/zinc/38/17/62/664381762.db2.gz JKERRQYGSJXFQH-KXNHARMFSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1CCCS1(=O)=O ZINC000962652348 664381764 /nfs/dbraw/zinc/38/17/64/664381764.db2.gz JKERRQYGSJXFQH-KXNHARMFSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)nn1 ZINC000962681033 664382059 /nfs/dbraw/zinc/38/20/59/664382059.db2.gz BATWKGROLSLGQQ-JLLWLGSASA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962701859 664382777 /nfs/dbraw/zinc/38/27/77/664382777.db2.gz OCEOAVKFWRNQEJ-SNXWAXQRSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC000962701859 664382780 /nfs/dbraw/zinc/38/27/80/664382780.db2.gz OCEOAVKFWRNQEJ-SNXWAXQRSA-N 1 1 317.349 -1.286 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N1CCOCC1 ZINC000962694134 664382789 /nfs/dbraw/zinc/38/27/89/664382789.db2.gz WRCFFGJJGYDUPF-MXYBEHONSA-N 1 1 322.409 -1.371 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N1CCOCC1 ZINC000962694134 664382792 /nfs/dbraw/zinc/38/27/92/664382792.db2.gz WRCFFGJJGYDUPF-MXYBEHONSA-N 1 1 322.409 -1.371 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000962723295 664383747 /nfs/dbraw/zinc/38/37/47/664383747.db2.gz UTICEKZRBATXDB-PUHVVEEASA-N 1 1 318.381 -1.319 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000962723295 664383750 /nfs/dbraw/zinc/38/37/50/664383750.db2.gz UTICEKZRBATXDB-PUHVVEEASA-N 1 1 318.381 -1.319 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962765200 664384214 /nfs/dbraw/zinc/38/42/14/664384214.db2.gz QDCMSRUZORGLGD-QISWUMQESA-N 1 1 322.369 -1.542 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC000962819109 664384961 /nfs/dbraw/zinc/38/49/61/664384961.db2.gz INYXSYSQOZIZIS-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC000962821638 664385204 /nfs/dbraw/zinc/38/52/04/664385204.db2.gz PDKCVVTUCRZJBH-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC000962821638 664385208 /nfs/dbraw/zinc/38/52/08/664385208.db2.gz PDKCVVTUCRZJBH-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n(C)c1=O ZINC000962853166 664385486 /nfs/dbraw/zinc/38/54/86/664385486.db2.gz MTQYUWYBVSGHAB-KLBPJQLPSA-N 1 1 319.365 -1.728 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962853787 664385565 /nfs/dbraw/zinc/38/55/65/664385565.db2.gz NZIBRTBKOBCKII-WYOJIJJFSA-N 1 1 307.354 -1.742 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962856482 664386041 /nfs/dbraw/zinc/38/60/41/664386041.db2.gz VMKPZVYJPKEHNF-MIZYBKAJSA-N 1 1 321.381 -1.352 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962921660 664386995 /nfs/dbraw/zinc/38/69/95/664386995.db2.gz OBXSHCKLYUHGMH-WOFXILAISA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962921660 664386997 /nfs/dbraw/zinc/38/69/97/664386997.db2.gz OBXSHCKLYUHGMH-WOFXILAISA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963037359 664387777 /nfs/dbraw/zinc/38/77/77/664387777.db2.gz QTYJDACHQLKEQF-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963037359 664387780 /nfs/dbraw/zinc/38/77/80/664387780.db2.gz QTYJDACHQLKEQF-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963179194 664388169 /nfs/dbraw/zinc/38/81/69/664388169.db2.gz KFPZFLMXYYADMC-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963179194 664388172 /nfs/dbraw/zinc/38/81/72/664388172.db2.gz KFPZFLMXYYADMC-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC000963154857 664388487 /nfs/dbraw/zinc/38/84/87/664388487.db2.gz NORBIVUSFMGWRF-CIQGVGRVSA-N 1 1 310.398 -1.501 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC000963154857 664388489 /nfs/dbraw/zinc/38/84/89/664388489.db2.gz NORBIVUSFMGWRF-CIQGVGRVSA-N 1 1 310.398 -1.501 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000963265340 664388727 /nfs/dbraw/zinc/38/87/27/664388727.db2.gz RDPKLLBXEMGJFP-RYUDHWBXSA-N 1 1 321.385 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2O)C1 ZINC000963374548 664389175 /nfs/dbraw/zinc/38/91/75/664389175.db2.gz BRGBCOMLHONRAP-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2O)C1 ZINC000963374548 664389177 /nfs/dbraw/zinc/38/91/77/664389177.db2.gz BRGBCOMLHONRAP-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2O)C1 ZINC000963374548 664389181 /nfs/dbraw/zinc/38/91/81/664389181.db2.gz BRGBCOMLHONRAP-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]2O)C1 ZINC000963418945 664389807 /nfs/dbraw/zinc/38/98/07/664389807.db2.gz GTKFLKZIAYRUIL-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963392450 664389817 /nfs/dbraw/zinc/38/98/17/664389817.db2.gz DAOXGQQULGEMDC-MXWKQRLJSA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963392450 664389820 /nfs/dbraw/zinc/38/98/20/664389820.db2.gz DAOXGQQULGEMDC-MXWKQRLJSA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963392450 664389823 /nfs/dbraw/zinc/38/98/23/664389823.db2.gz DAOXGQQULGEMDC-MXWKQRLJSA-N 1 1 322.369 -1.634 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000963394019 664389903 /nfs/dbraw/zinc/38/99/03/664389903.db2.gz KIWWBOLICLAEIQ-AXFHLTTASA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]2O)C1 ZINC000963395533 664390010 /nfs/dbraw/zinc/39/00/10/664390010.db2.gz PGSFIUVWKWFODQ-DHRKEOQWSA-N 1 1 323.393 -1.482 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2O)C1 ZINC000963397645 664390277 /nfs/dbraw/zinc/39/02/77/664390277.db2.gz WMJATKDAWNHPOG-UPJWGTAASA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@@H]2O)C1 ZINC000963418944 664390366 /nfs/dbraw/zinc/39/03/66/664390366.db2.gz GTKFLKZIAYRUIL-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000963395548 664390426 /nfs/dbraw/zinc/39/04/26/664390426.db2.gz PKHVBINRRADFAD-IEBDPFPHSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424195 664390795 /nfs/dbraw/zinc/39/07/95/664390795.db2.gz MSFGKSCPKNZIFD-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424195 664390798 /nfs/dbraw/zinc/39/07/98/664390798.db2.gz MSFGKSCPKNZIFD-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424189 664390866 /nfs/dbraw/zinc/39/08/66/664390866.db2.gz MSFGKSCPKNZIFD-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424189 664390868 /nfs/dbraw/zinc/39/08/68/664390868.db2.gz MSFGKSCPKNZIFD-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000963497923 664391256 /nfs/dbraw/zinc/39/12/56/664391256.db2.gz HEYNKEIZBODHEQ-AGIUHOORSA-N 1 1 321.381 -1.184 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1O ZINC000963554868 664393472 /nfs/dbraw/zinc/39/34/72/664393472.db2.gz DBYAEQLYZAXDDZ-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963828863 664395456 /nfs/dbraw/zinc/39/54/56/664395456.db2.gz PNOYZZUUDSSNAZ-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963828863 664395461 /nfs/dbraw/zinc/39/54/61/664395461.db2.gz PNOYZZUUDSSNAZ-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1 ZINC000963846878 664396588 /nfs/dbraw/zinc/39/65/88/664396588.db2.gz MPSOOPMJOFTMRN-MXWKQRLJSA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963872815 664396938 /nfs/dbraw/zinc/39/69/38/664396938.db2.gz DNLBYMWRLQXTCS-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1 ZINC000964034321 664398681 /nfs/dbraw/zinc/39/86/81/664398681.db2.gz WWWQKTYSXZWBNJ-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC000964116097 664401154 /nfs/dbraw/zinc/40/11/54/664401154.db2.gz AJNHJTNAHLTDIJ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125681 664401325 /nfs/dbraw/zinc/40/13/25/664401325.db2.gz XONZKNPYHMSBPY-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125681 664401327 /nfs/dbraw/zinc/40/13/27/664401327.db2.gz XONZKNPYHMSBPY-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125682 664401425 /nfs/dbraw/zinc/40/14/25/664401425.db2.gz XONZKNPYHMSBPY-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125682 664401429 /nfs/dbraw/zinc/40/14/29/664401429.db2.gz XONZKNPYHMSBPY-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150311 664401900 /nfs/dbraw/zinc/40/19/00/664401900.db2.gz YHWJNCUQEODBTF-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150311 664401902 /nfs/dbraw/zinc/40/19/02/664401902.db2.gz YHWJNCUQEODBTF-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150304 664402031 /nfs/dbraw/zinc/40/20/31/664402031.db2.gz YHWJNCUQEODBTF-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150304 664402034 /nfs/dbraw/zinc/40/20/34/664402034.db2.gz YHWJNCUQEODBTF-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO COCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000964144471 664402063 /nfs/dbraw/zinc/40/20/63/664402063.db2.gz LEQALKGFXMMVPS-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000964144471 664402065 /nfs/dbraw/zinc/40/20/65/664402065.db2.gz LEQALKGFXMMVPS-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)c2cnon2)C1 ZINC000964190751 664403297 /nfs/dbraw/zinc/40/32/97/664403297.db2.gz MEJVVAJZWIPRQF-MNOVXSKESA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)c2nc[nH]n2)C1 ZINC000964194280 664403916 /nfs/dbraw/zinc/40/39/16/664403916.db2.gz WHWSIZKQKSVLLH-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)CC(N)=O)C1 ZINC000964202214 664403969 /nfs/dbraw/zinc/40/39/69/664403969.db2.gz QTBBLESVOHQSKI-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)c2cnon2)C1 ZINC000964190760 664403985 /nfs/dbraw/zinc/40/39/85/664403985.db2.gz MEJVVAJZWIPRQF-WDEREUQCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cn[nH]n2)C1 ZINC000964258819 664406076 /nfs/dbraw/zinc/40/60/76/664406076.db2.gz UFVDBLRKGBJWFJ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258819 664406080 /nfs/dbraw/zinc/40/60/80/664406080.db2.gz UFVDBLRKGBJWFJ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258819 664406082 /nfs/dbraw/zinc/40/60/82/664406082.db2.gz UFVDBLRKGBJWFJ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnon2)C1 ZINC000964318099 664409566 /nfs/dbraw/zinc/40/95/66/664409566.db2.gz FBKYGZJBCRVKBP-WDEREUQCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)CC[N@H+]1C ZINC000964629353 664412201 /nfs/dbraw/zinc/41/22/01/664412201.db2.gz SKARAFBCVSOVEY-IQIPOGNMSA-N 1 1 323.353 -1.289 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)CC[N@H+]1C ZINC000964629309 664412352 /nfs/dbraw/zinc/41/23/52/664412352.db2.gz RWFQXNLOTIZPSV-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799277 664413134 /nfs/dbraw/zinc/41/31/34/664413134.db2.gz ZDTFITMSKCHOCT-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000964799277 664413135 /nfs/dbraw/zinc/41/31/35/664413135.db2.gz ZDTFITMSKCHOCT-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964966663 664413531 /nfs/dbraw/zinc/41/35/31/664413531.db2.gz QDMXJAFVZGMJGN-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964966663 664413532 /nfs/dbraw/zinc/41/35/32/664413532.db2.gz QDMXJAFVZGMJGN-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964960495 664413651 /nfs/dbraw/zinc/41/36/51/664413651.db2.gz HMVFEDKDRAQANQ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964960495 664413653 /nfs/dbraw/zinc/41/36/53/664413653.db2.gz HMVFEDKDRAQANQ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964966659 664413822 /nfs/dbraw/zinc/41/38/22/664413822.db2.gz QDMXJAFVZGMJGN-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964966659 664413824 /nfs/dbraw/zinc/41/38/24/664413824.db2.gz QDMXJAFVZGMJGN-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132836 664416376 /nfs/dbraw/zinc/41/63/76/664416376.db2.gz QPZWKMLVADHKRW-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132836 664416379 /nfs/dbraw/zinc/41/63/79/664416379.db2.gz QPZWKMLVADHKRW-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132838 664416418 /nfs/dbraw/zinc/41/64/18/664416418.db2.gz QPZWKMLVADHKRW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132838 664416420 /nfs/dbraw/zinc/41/64/20/664416420.db2.gz QPZWKMLVADHKRW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965385740 664420973 /nfs/dbraw/zinc/42/09/73/664420973.db2.gz ZJTHVVVKIFTPAQ-UHFFFAOYSA-N 1 1 321.337 -1.883 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965380657 664421038 /nfs/dbraw/zinc/42/10/38/664421038.db2.gz KAJWEMPJIDIMAB-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965422938 664422057 /nfs/dbraw/zinc/42/20/57/664422057.db2.gz GZFZSDQJVGMZDY-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965465100 664423463 /nfs/dbraw/zinc/42/34/63/664423463.db2.gz IGPUAKZNPJIRTR-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965474776 664424183 /nfs/dbraw/zinc/42/41/83/664424183.db2.gz WQBKOZNDOFHRJU-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965473295 664424326 /nfs/dbraw/zinc/42/43/26/664424326.db2.gz RFRWJGQKEIIWGM-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965491794 664424521 /nfs/dbraw/zinc/42/45/21/664424521.db2.gz YCUOCDQGKSRJBV-WDEREUQCSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965491793 664424663 /nfs/dbraw/zinc/42/46/63/664424663.db2.gz YCUOCDQGKSRJBV-QWRGUYRKSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965656967 664428071 /nfs/dbraw/zinc/42/80/71/664428071.db2.gz PKIUVBXTLSAAPT-UWVGGRQHSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965698900 664429112 /nfs/dbraw/zinc/42/91/12/664429112.db2.gz BACLEHABWYPYDN-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965734121 664430313 /nfs/dbraw/zinc/43/03/13/664430313.db2.gz SQMOWLKJIBPEIQ-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965795084 664433068 /nfs/dbraw/zinc/43/30/68/664433068.db2.gz KQDXYYCDVVXKKR-ZJUUUORDSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965799306 664433787 /nfs/dbraw/zinc/43/37/87/664433787.db2.gz WALWUFVQOCJWGZ-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965803661 664434199 /nfs/dbraw/zinc/43/41/99/664434199.db2.gz GZHVIDXTEQUNIG-NXEZZACHSA-N 1 1 310.354 -2.091 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965801483 664434396 /nfs/dbraw/zinc/43/43/96/664434396.db2.gz BAFMQZNKYWDXRT-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965807847 664435007 /nfs/dbraw/zinc/43/50/07/664435007.db2.gz UXWONJKVOXNHAO-JTQLQIEISA-N 1 1 321.337 -1.837 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965821096 664435668 /nfs/dbraw/zinc/43/56/68/664435668.db2.gz UNFLJRIVAVRWBG-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 ZINC000965921647 664436853 /nfs/dbraw/zinc/43/68/53/664436853.db2.gz MEYGYEHCTSSUID-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCOCC2)C1 ZINC000965921647 664436854 /nfs/dbraw/zinc/43/68/54/664436854.db2.gz MEYGYEHCTSSUID-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000965970642 664437475 /nfs/dbraw/zinc/43/74/75/664437475.db2.gz XUHZFVYHUFBFQA-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966132605 664438371 /nfs/dbraw/zinc/43/83/71/664438371.db2.gz MPUVSIFPMBETIQ-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966132605 664438373 /nfs/dbraw/zinc/43/83/73/664438373.db2.gz MPUVSIFPMBETIQ-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO COCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000966166034 664440484 /nfs/dbraw/zinc/44/04/84/664440484.db2.gz JCNYXTNGMLXEBA-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000966727201 664449568 /nfs/dbraw/zinc/44/95/68/664449568.db2.gz OAFCIRSYFNWSRJ-MRVPVSSYSA-N 1 1 304.314 -1.290 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC000966889910 664453620 /nfs/dbraw/zinc/45/36/20/664453620.db2.gz WEFVEDFIDYKKBW-SNVBAGLBSA-N 1 1 323.336 -1.375 20 0 DAADMO COCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000967168986 664456434 /nfs/dbraw/zinc/45/64/34/664456434.db2.gz NWLOYXUXGFRHBO-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(N3CCN(C(=O)C(N)=O)CC3)C2)C1 ZINC000967246306 664459201 /nfs/dbraw/zinc/45/92/01/664459201.db2.gz YEGSOWNWYQJXEX-LLVKDONJSA-N 1 1 323.397 -2.222 20 0 DAADMO O=C(C[NH2+][C@@H]1CCN(C(=O)c2ccn[nH]2)C1)N1CCNC(=O)C1 ZINC000967276868 664460110 /nfs/dbraw/zinc/46/01/10/664460110.db2.gz OPVIFDNUVCPLAD-SNVBAGLBSA-N 1 1 320.353 -1.828 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000967268537 664460137 /nfs/dbraw/zinc/46/01/37/664460137.db2.gz IVZIFIBUENFUML-QWRGUYRKSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000967268536 664460509 /nfs/dbraw/zinc/46/05/09/664460509.db2.gz IVZIFIBUENFUML-MNOVXSKESA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000967268538 664460698 /nfs/dbraw/zinc/46/06/98/664460698.db2.gz IVZIFIBUENFUML-WDEREUQCSA-N 1 1 310.354 -1.232 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413614 664461635 /nfs/dbraw/zinc/46/16/35/664461635.db2.gz CKUFQINGNKKRTB-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413614 664461637 /nfs/dbraw/zinc/46/16/37/664461637.db2.gz CKUFQINGNKKRTB-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413613 664461775 /nfs/dbraw/zinc/46/17/75/664461775.db2.gz CKUFQINGNKKRTB-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413613 664461782 /nfs/dbraw/zinc/46/17/82/664461782.db2.gz CKUFQINGNKKRTB-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC000967424949 664462242 /nfs/dbraw/zinc/46/22/42/664462242.db2.gz VQQDJWBESWCARQ-SECBINFHSA-N 1 1 301.372 -1.450 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967717409 664464675 /nfs/dbraw/zinc/46/46/75/664464675.db2.gz AUNSSEIEWUCLTK-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC000967766929 664466076 /nfs/dbraw/zinc/46/60/76/664466076.db2.gz HIHHGIBVBWBEFK-OPRDCNLKSA-N 1 1 307.358 -1.260 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000967847776 664466781 /nfs/dbraw/zinc/46/67/81/664466781.db2.gz MWKKTQVGEFGNAO-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000968016613 664468963 /nfs/dbraw/zinc/46/89/63/664468963.db2.gz LWZQTAJPINNDPT-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000968016613 664468965 /nfs/dbraw/zinc/46/89/65/664468965.db2.gz LWZQTAJPINNDPT-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000968031366 664469334 /nfs/dbraw/zinc/46/93/34/664469334.db2.gz MZXVAUHORGXVIW-CMPLNLGQSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078937 664469440 /nfs/dbraw/zinc/46/94/40/664469440.db2.gz MGUKXZFNWXHHDI-MWLCHTKSSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078937 664469443 /nfs/dbraw/zinc/46/94/43/664469443.db2.gz MGUKXZFNWXHHDI-MWLCHTKSSA-N 1 1 307.354 -1.044 20 0 DAADMO CCN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968126589 664469898 /nfs/dbraw/zinc/46/98/98/664469898.db2.gz USMXSSACEQHQRL-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968126589 664469901 /nfs/dbraw/zinc/46/99/01/664469901.db2.gz USMXSSACEQHQRL-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968156948 664470803 /nfs/dbraw/zinc/47/08/03/664470803.db2.gz WKZLNXKVEIWBHX-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968156948 664470806 /nfs/dbraw/zinc/47/08/06/664470806.db2.gz WKZLNXKVEIWBHX-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968150552 664471035 /nfs/dbraw/zinc/47/10/35/664471035.db2.gz GQHHVYIFVJWVIQ-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968150552 664471037 /nfs/dbraw/zinc/47/10/37/664471037.db2.gz GQHHVYIFVJWVIQ-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968251158 664473453 /nfs/dbraw/zinc/47/34/53/664473453.db2.gz HTGAJSRASMVGQT-LLVKDONJSA-N 1 1 320.353 -1.306 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC000968303244 664474757 /nfs/dbraw/zinc/47/47/57/664474757.db2.gz RCQBEQDWDZXZJV-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000968351791 664475703 /nfs/dbraw/zinc/47/57/03/664475703.db2.gz HGDYHTHWEORRKL-NXEZZACHSA-N 1 1 320.353 -1.267 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416749 664476325 /nfs/dbraw/zinc/47/63/25/664476325.db2.gz ARLWQXPJOYPNIT-MWLCHTKSSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416749 664476331 /nfs/dbraw/zinc/47/63/31/664476331.db2.gz ARLWQXPJOYPNIT-MWLCHTKSSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC000968453160 664477474 /nfs/dbraw/zinc/47/74/74/664477474.db2.gz CAXZJJOSKWOLJJ-NXEZZACHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC000968446761 664477532 /nfs/dbraw/zinc/47/75/32/664477532.db2.gz WJGYLBHQILMGOI-GFCCVEGCSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)C1)c1nnnn1C ZINC000968446299 664477546 /nfs/dbraw/zinc/47/75/46/664477546.db2.gz PATNNHSHPTYBDB-VXGBXAGGSA-N 1 1 323.401 -1.206 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC000968453696 664477557 /nfs/dbraw/zinc/47/75/57/664477557.db2.gz QTOLVPNYINYVSN-SNVBAGLBSA-N 1 1 320.357 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461704 664478257 /nfs/dbraw/zinc/47/82/57/664478257.db2.gz JNONIJJXZZROIM-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000968462233 664478380 /nfs/dbraw/zinc/47/83/80/664478380.db2.gz FXGQXDWANHUVFP-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968479103 664478935 /nfs/dbraw/zinc/47/89/35/664478935.db2.gz IAXWNNMMHFGXJS-AXFHLTTASA-N 1 1 323.353 -1.369 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000968518191 664479955 /nfs/dbraw/zinc/47/99/55/664479955.db2.gz ZEZVBNZLABOXMU-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC000968522843 664479962 /nfs/dbraw/zinc/47/99/62/664479962.db2.gz LWEQQIJJYMMBOG-LLVKDONJSA-N 1 1 302.342 -1.067 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968559897 664480362 /nfs/dbraw/zinc/48/03/62/664480362.db2.gz CQHRQMLJWQFIGT-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000968551689 664480395 /nfs/dbraw/zinc/48/03/95/664480395.db2.gz COWIRPLBCNTFJE-WZRBSPASSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000968539795 664480522 /nfs/dbraw/zinc/48/05/22/664480522.db2.gz QITMYFPPZXKZEK-QWRGUYRKSA-N 1 1 312.370 -1.301 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000968586376 664480991 /nfs/dbraw/zinc/48/09/91/664480991.db2.gz LZQOZJQDXAYFJZ-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000968623097 664481473 /nfs/dbraw/zinc/48/14/73/664481473.db2.gz KUWXRBYEPLVRHO-UTUOFQBUSA-N 1 1 323.353 -1.145 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615580 664481487 /nfs/dbraw/zinc/48/14/87/664481487.db2.gz ZBRSRKGSCQTHQX-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615580 664481489 /nfs/dbraw/zinc/48/14/89/664481489.db2.gz ZBRSRKGSCQTHQX-ZYHUDNBSSA-N 1 1 321.381 -1.034 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000968620982 664481541 /nfs/dbraw/zinc/48/15/41/664481541.db2.gz LZEXEAYJVNFCAX-WOPDTQHZSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000968627018 664481697 /nfs/dbraw/zinc/48/16/97/664481697.db2.gz GBEZJDIQPWLXSK-WDEREUQCSA-N 1 1 312.370 -1.301 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000968696212 664483986 /nfs/dbraw/zinc/48/39/86/664483986.db2.gz LEFNVZBZXTVVBF-WOPDTQHZSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968696212 664483987 /nfs/dbraw/zinc/48/39/87/664483987.db2.gz LEFNVZBZXTVVBF-WOPDTQHZSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968696212 664483988 /nfs/dbraw/zinc/48/39/88/664483988.db2.gz LEFNVZBZXTVVBF-WOPDTQHZSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CC1 ZINC000968700409 664484178 /nfs/dbraw/zinc/48/41/78/664484178.db2.gz CKEQKCRHSSZDDO-GRYCIOLGSA-N 1 1 322.369 -1.554 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968707510 664485211 /nfs/dbraw/zinc/48/52/11/664485211.db2.gz SOPZVEFUTRRXLS-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968707510 664485215 /nfs/dbraw/zinc/48/52/15/664485215.db2.gz SOPZVEFUTRRXLS-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968707510 664485218 /nfs/dbraw/zinc/48/52/18/664485218.db2.gz SOPZVEFUTRRXLS-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000968707275 664485338 /nfs/dbraw/zinc/48/53/38/664485338.db2.gz JGMBMLLUWDTWKC-MXWKQRLJSA-N 1 1 310.358 -1.554 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccon3)C2)n1 ZINC000968733022 664486152 /nfs/dbraw/zinc/48/61/52/664486152.db2.gz WQMPYHJLQCXSIF-SNVBAGLBSA-N 1 1 319.325 -1.244 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1COC(=O)N1 ZINC001007225328 664486907 /nfs/dbraw/zinc/48/69/07/664486907.db2.gz GWNKBKXWEYRERW-GHMZBOCLSA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)nn1 ZINC000968929196 664487775 /nfs/dbraw/zinc/48/77/75/664487775.db2.gz ARFOKZAIGONGGS-LLVKDONJSA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968929311 664488019 /nfs/dbraw/zinc/48/80/19/664488019.db2.gz FEWPHROLILUROF-GFCCVEGCSA-N 1 1 321.381 -1.031 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000968952583 664488441 /nfs/dbraw/zinc/48/84/41/664488441.db2.gz OCNTZFPSLXVIQN-ZJUUUORDSA-N 1 1 307.310 -1.037 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000968951259 664488444 /nfs/dbraw/zinc/48/84/44/664488444.db2.gz JJDJWBCTKDJOKT-MNOVXSKESA-N 1 1 320.309 -1.424 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968930220 664488509 /nfs/dbraw/zinc/48/85/09/664488509.db2.gz RIZSCSCLLPCWHJ-LLVKDONJSA-N 1 1 322.369 -1.636 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)NC1=O ZINC000968982943 664488773 /nfs/dbraw/zinc/48/87/73/664488773.db2.gz WYKVIXXOWFGZIJ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)NC1=O ZINC000968982943 664488776 /nfs/dbraw/zinc/48/87/76/664488776.db2.gz WYKVIXXOWFGZIJ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000968961750 664489017 /nfs/dbraw/zinc/48/90/17/664489017.db2.gz TWLCKPNHIBMEPV-SECBINFHSA-N 1 1 318.341 -1.692 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)NC1=O ZINC000968982941 664489053 /nfs/dbraw/zinc/48/90/53/664489053.db2.gz WYKVIXXOWFGZIJ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)NC1=O ZINC000968982941 664489056 /nfs/dbraw/zinc/48/90/56/664489056.db2.gz WYKVIXXOWFGZIJ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000969013077 664489501 /nfs/dbraw/zinc/48/95/01/664489501.db2.gz FGQLYQKLQLBSEI-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000969069912 664489688 /nfs/dbraw/zinc/48/96/88/664489688.db2.gz FWUWAVPUMKXNIQ-LLVKDONJSA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000969069912 664489689 /nfs/dbraw/zinc/48/96/89/664489689.db2.gz FWUWAVPUMKXNIQ-LLVKDONJSA-N 1 1 324.381 -1.115 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000969068232 664489919 /nfs/dbraw/zinc/48/99/19/664489919.db2.gz XUHNYTLHBLZBNU-AXFHLTTASA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC000969102822 664490172 /nfs/dbraw/zinc/49/01/72/664490172.db2.gz ODAVXKJYKALPND-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001006681082 664491737 /nfs/dbraw/zinc/49/17/37/664491737.db2.gz CNZMYIARKSJERV-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001006681082 664491740 /nfs/dbraw/zinc/49/17/40/664491740.db2.gz CNZMYIARKSJERV-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001006682593 664491750 /nfs/dbraw/zinc/49/17/50/664491750.db2.gz HKWWCCZLWBAGLR-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001006682593 664491755 /nfs/dbraw/zinc/49/17/55/664491755.db2.gz HKWWCCZLWBAGLR-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007116214 664493439 /nfs/dbraw/zinc/49/34/39/664493439.db2.gz HXGUITYWWRCYGE-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007116214 664493442 /nfs/dbraw/zinc/49/34/42/664493442.db2.gz HXGUITYWWRCYGE-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007155097 664493780 /nfs/dbraw/zinc/49/37/80/664493780.db2.gz JAMAVJBILVVBLR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007155097 664493783 /nfs/dbraw/zinc/49/37/83/664493783.db2.gz JAMAVJBILVVBLR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007150216 664493888 /nfs/dbraw/zinc/49/38/88/664493888.db2.gz GZXXDAKJEQKKKP-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007150216 664493889 /nfs/dbraw/zinc/49/38/89/664493889.db2.gz GZXXDAKJEQKKKP-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007155095 664493941 /nfs/dbraw/zinc/49/39/41/664493941.db2.gz JAMAVJBILVVBLR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001007155095 664493944 /nfs/dbraw/zinc/49/39/44/664493944.db2.gz JAMAVJBILVVBLR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001007346618 664494423 /nfs/dbraw/zinc/49/44/23/664494423.db2.gz WXJBTJKPCVSICY-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001007346618 664494425 /nfs/dbraw/zinc/49/44/25/664494425.db2.gz WXJBTJKPCVSICY-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007349185 664494439 /nfs/dbraw/zinc/49/44/39/664494439.db2.gz LYLOEDQDVLHOFM-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007349185 664494441 /nfs/dbraw/zinc/49/44/41/664494441.db2.gz LYLOEDQDVLHOFM-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349137 664494486 /nfs/dbraw/zinc/49/44/86/664494486.db2.gz LGZQBMINRXNPAV-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349137 664494489 /nfs/dbraw/zinc/49/44/89/664494489.db2.gz LGZQBMINRXNPAV-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349138 664494552 /nfs/dbraw/zinc/49/45/52/664494552.db2.gz LGZQBMINRXNPAV-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349138 664494553 /nfs/dbraw/zinc/49/45/53/664494553.db2.gz LGZQBMINRXNPAV-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007343116 664494566 /nfs/dbraw/zinc/49/45/66/664494566.db2.gz LWUBNFSFHWQVES-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007343116 664494568 /nfs/dbraw/zinc/49/45/68/664494568.db2.gz LWUBNFSFHWQVES-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007458565 664495254 /nfs/dbraw/zinc/49/52/54/664495254.db2.gz ZEQFKOPMENEPLG-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007464765 664495263 /nfs/dbraw/zinc/49/52/63/664495263.db2.gz OJMIXYZIPCZTPD-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001007429766 664495298 /nfs/dbraw/zinc/49/52/98/664495298.db2.gz WLFCVYYDXDECNU-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001007522957 664495470 /nfs/dbraw/zinc/49/54/70/664495470.db2.gz WARFXQAXDUZVTQ-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001007522957 664495474 /nfs/dbraw/zinc/49/54/74/664495474.db2.gz WARFXQAXDUZVTQ-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001007704239 664496768 /nfs/dbraw/zinc/49/67/68/664496768.db2.gz JTYMEFXKSVEOKI-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001007704239 664496771 /nfs/dbraw/zinc/49/67/71/664496771.db2.gz JTYMEFXKSVEOKI-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703236 664496925 /nfs/dbraw/zinc/49/69/25/664496925.db2.gz HEQLHIFQJRXXDP-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703236 664496930 /nfs/dbraw/zinc/49/69/30/664496930.db2.gz HEQLHIFQJRXXDP-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706154 664497193 /nfs/dbraw/zinc/49/71/93/664497193.db2.gz OTNXHKBGSAZKCI-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706154 664497196 /nfs/dbraw/zinc/49/71/96/664497196.db2.gz OTNXHKBGSAZKCI-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001007706796 664497462 /nfs/dbraw/zinc/49/74/62/664497462.db2.gz WEMOGNVBKKBNFN-XHDPSFHLSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832070 664497897 /nfs/dbraw/zinc/49/78/97/664497897.db2.gz KHCVPRPZHJZBSC-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832070 664497903 /nfs/dbraw/zinc/49/79/03/664497903.db2.gz KHCVPRPZHJZBSC-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776922 664497938 /nfs/dbraw/zinc/49/79/38/664497938.db2.gz RBPRXBMSCREXLZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776922 664497941 /nfs/dbraw/zinc/49/79/41/664497941.db2.gz RBPRXBMSCREXLZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007774756 664498216 /nfs/dbraw/zinc/49/82/16/664498216.db2.gz KASGKHSMUQYSNZ-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007774756 664498218 /nfs/dbraw/zinc/49/82/18/664498218.db2.gz KASGKHSMUQYSNZ-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001008016242 664498371 /nfs/dbraw/zinc/49/83/71/664498371.db2.gz QBUPDWZUUSFKGA-JQWIXIFHSA-N 1 1 307.354 -1.062 20 0 DAADMO NC(=O)CN1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992512 664498475 /nfs/dbraw/zinc/49/84/75/664498475.db2.gz XNWLLFHHCZQAHC-LGESCRJUSA-N 1 1 322.409 -1.085 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995465 664498569 /nfs/dbraw/zinc/49/85/69/664498569.db2.gz JJMMGZMSJCGVKW-NXEZZACHSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995465 664498570 /nfs/dbraw/zinc/49/85/70/664498570.db2.gz JJMMGZMSJCGVKW-NXEZZACHSA-N 1 1 312.370 -1.845 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001008016246 664498586 /nfs/dbraw/zinc/49/85/86/664498586.db2.gz QBUPDWZUUSFKGA-PWSUYJOCSA-N 1 1 307.354 -1.062 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001008118691 664499101 /nfs/dbraw/zinc/49/91/01/664499101.db2.gz AYHXDINAXTXSRO-SNVBAGLBSA-N 1 1 320.357 -1.120 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001008178568 664499460 /nfs/dbraw/zinc/49/94/60/664499460.db2.gz RIDQINQAJJSXNW-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008183207 664499646 /nfs/dbraw/zinc/49/96/46/664499646.db2.gz NCVYUSDIFMVSNC-NEPJUHHUSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008183207 664499648 /nfs/dbraw/zinc/49/96/48/664499648.db2.gz NCVYUSDIFMVSNC-NEPJUHHUSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001008178569 664499692 /nfs/dbraw/zinc/49/96/92/664499692.db2.gz RIDQINQAJJSXNW-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176384 664499801 /nfs/dbraw/zinc/49/98/01/664499801.db2.gz MQLYIAHGVWTBLV-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176384 664499804 /nfs/dbraw/zinc/49/98/04/664499804.db2.gz MQLYIAHGVWTBLV-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC1=O ZINC001008178490 664499865 /nfs/dbraw/zinc/49/98/65/664499865.db2.gz PRFJVBFOMATGPH-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008199014 664500123 /nfs/dbraw/zinc/50/01/23/664500123.db2.gz ALGXXMSBNFMFQD-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001008375160 664501941 /nfs/dbraw/zinc/50/19/41/664501941.db2.gz QDEVWNMKJYXRRX-MNOVXSKESA-N 1 1 307.358 -1.460 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001008490254 664502182 /nfs/dbraw/zinc/50/21/82/664502182.db2.gz ZEQBBENZFAXJGZ-MRVPVSSYSA-N 1 1 317.371 -1.756 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522762 664502626 /nfs/dbraw/zinc/50/26/26/664502626.db2.gz RDCPUYOAGUVDGU-UWVGGRQHSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522762 664502628 /nfs/dbraw/zinc/50/26/28/664502628.db2.gz RDCPUYOAGUVDGU-UWVGGRQHSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001008724350 664504153 /nfs/dbraw/zinc/50/41/53/664504153.db2.gz BVYHCVFDIGWNJY-JTQLQIEISA-N 1 1 310.354 -1.730 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001008724398 664504166 /nfs/dbraw/zinc/50/41/66/664504166.db2.gz BVYHCVFDIGWNJY-SNVBAGLBSA-N 1 1 310.354 -1.730 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)S1(=O)=O ZINC001008840581 664504217 /nfs/dbraw/zinc/50/42/17/664504217.db2.gz NWUSHRQBGSYRAZ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001008840581 664504220 /nfs/dbraw/zinc/50/42/20/664504220.db2.gz NWUSHRQBGSYRAZ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001008845464 664504444 /nfs/dbraw/zinc/50/44/44/664504444.db2.gz JWEPCYURCVPXDL-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001008874411 664504535 /nfs/dbraw/zinc/50/45/35/664504535.db2.gz AVRAFJZZVBAPOX-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863151 664504543 /nfs/dbraw/zinc/50/45/43/664504543.db2.gz PSEDRENKZCXQKY-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863151 664504545 /nfs/dbraw/zinc/50/45/45/664504545.db2.gz PSEDRENKZCXQKY-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861369 664504642 /nfs/dbraw/zinc/50/46/42/664504642.db2.gz IYMWQZHNFULJGX-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861369 664504646 /nfs/dbraw/zinc/50/46/46/664504646.db2.gz IYMWQZHNFULJGX-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008891770 664504823 /nfs/dbraw/zinc/50/48/23/664504823.db2.gz JGVVNCIBNHDXAZ-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008891770 664504824 /nfs/dbraw/zinc/50/48/24/664504824.db2.gz JGVVNCIBNHDXAZ-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001009106748 664505467 /nfs/dbraw/zinc/50/54/67/664505467.db2.gz UOTITRDHIOSPNU-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001009229667 664506421 /nfs/dbraw/zinc/50/64/21/664506421.db2.gz UOHPPRHYCFBVKN-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001009415013 664507740 /nfs/dbraw/zinc/50/77/40/664507740.db2.gz NXZMFYCANSZXDI-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001009415013 664507741 /nfs/dbraw/zinc/50/77/41/664507741.db2.gz NXZMFYCANSZXDI-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001009415008 664507778 /nfs/dbraw/zinc/50/77/78/664507778.db2.gz NXZMFYCANSZXDI-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001009415008 664507781 /nfs/dbraw/zinc/50/77/81/664507781.db2.gz NXZMFYCANSZXDI-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001009443946 664508165 /nfs/dbraw/zinc/50/81/65/664508165.db2.gz KLZJRNYSEWJMTC-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457638 664508348 /nfs/dbraw/zinc/50/83/48/664508348.db2.gz JKGRSEKVGPPOTO-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457638 664508352 /nfs/dbraw/zinc/50/83/52/664508352.db2.gz JKGRSEKVGPPOTO-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009456092 664508424 /nfs/dbraw/zinc/50/84/24/664508424.db2.gz CSINLJDKQSJMGK-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009456092 664508426 /nfs/dbraw/zinc/50/84/26/664508426.db2.gz CSINLJDKQSJMGK-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456724 664508476 /nfs/dbraw/zinc/50/84/76/664508476.db2.gz GCGSYXDQRBXHOW-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009456724 664508477 /nfs/dbraw/zinc/50/84/77/664508477.db2.gz GCGSYXDQRBXHOW-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496147 664508483 /nfs/dbraw/zinc/50/84/83/664508483.db2.gz NSRCUXUWWXJYOI-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496147 664508486 /nfs/dbraw/zinc/50/84/86/664508486.db2.gz NSRCUXUWWXJYOI-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649156 664509052 /nfs/dbraw/zinc/50/90/52/664509052.db2.gz QBJNWHQTHLQMPJ-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649156 664509056 /nfs/dbraw/zinc/50/90/56/664509056.db2.gz QBJNWHQTHLQMPJ-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649164 664509072 /nfs/dbraw/zinc/50/90/72/664509072.db2.gz QBJNWHQTHLQMPJ-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649164 664509076 /nfs/dbraw/zinc/50/90/76/664509076.db2.gz QBJNWHQTHLQMPJ-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009632299 664509308 /nfs/dbraw/zinc/50/93/08/664509308.db2.gz DMNDBUQPWPUYHJ-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009764218 664511235 /nfs/dbraw/zinc/51/12/35/664511235.db2.gz SRYLFAAJNXUTRO-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009764218 664511237 /nfs/dbraw/zinc/51/12/37/664511237.db2.gz SRYLFAAJNXUTRO-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819983 664511340 /nfs/dbraw/zinc/51/13/40/664511340.db2.gz ZGHUARSJXPKPBU-DTWKUNHWSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819983 664511344 /nfs/dbraw/zinc/51/13/44/664511344.db2.gz ZGHUARSJXPKPBU-DTWKUNHWSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050081 664512140 /nfs/dbraw/zinc/51/21/40/664512140.db2.gz JBIWRXRELLPHTB-WPRPVWTQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050081 664512142 /nfs/dbraw/zinc/51/21/42/664512142.db2.gz JBIWRXRELLPHTB-WPRPVWTQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010074305 664512179 /nfs/dbraw/zinc/51/21/79/664512179.db2.gz AFBOLQINTJUIMK-SECBINFHSA-N 1 1 322.329 -2.585 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030650 664512200 /nfs/dbraw/zinc/51/22/00/664512200.db2.gz NDFUUUUEUGFFEW-VXGBXAGGSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030650 664512202 /nfs/dbraw/zinc/51/22/02/664512202.db2.gz NDFUUUUEUGFFEW-VXGBXAGGSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001010091306 664512472 /nfs/dbraw/zinc/51/24/72/664512472.db2.gz ZTAKWEQXYACJRA-QWRGUYRKSA-N 1 1 317.357 -1.357 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010109069 664512670 /nfs/dbraw/zinc/51/26/70/664512670.db2.gz WKGWEOXFUJHMGE-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010102850 664512717 /nfs/dbraw/zinc/51/27/17/664512717.db2.gz BMGJEAOJQCNNQF-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010102850 664512718 /nfs/dbraw/zinc/51/27/18/664512718.db2.gz BMGJEAOJQCNNQF-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010213626 664513556 /nfs/dbraw/zinc/51/35/56/664513556.db2.gz NQTVNZUSTHXEOB-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365143 664514625 /nfs/dbraw/zinc/51/46/25/664514625.db2.gz PPAKLTXQMZUCIB-RYUDHWBXSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365143 664514628 /nfs/dbraw/zinc/51/46/28/664514628.db2.gz PPAKLTXQMZUCIB-RYUDHWBXSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001010368846 664514697 /nfs/dbraw/zinc/51/46/97/664514697.db2.gz HINCOGUVKCBGIV-MNOVXSKESA-N 1 1 308.386 -1.107 20 0 DAADMO Cn1[nH]c(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001010368847 664514887 /nfs/dbraw/zinc/51/48/87/664514887.db2.gz HINCOGUVKCBGIV-QWRGUYRKSA-N 1 1 308.386 -1.107 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001010351159 664514923 /nfs/dbraw/zinc/51/49/23/664514923.db2.gz UBHVHGQVGIWKBM-ZDUSSCGKSA-N 1 1 321.381 -1.116 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001010351159 664514924 /nfs/dbraw/zinc/51/49/24/664514924.db2.gz UBHVHGQVGIWKBM-ZDUSSCGKSA-N 1 1 321.381 -1.116 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010387307 664515373 /nfs/dbraw/zinc/51/53/73/664515373.db2.gz ZNHMFBRMYSOZMF-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001010383729 664515432 /nfs/dbraw/zinc/51/54/32/664515432.db2.gz YGBPYOHFAGKVTJ-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427880 664515727 /nfs/dbraw/zinc/51/57/27/664515727.db2.gz MMUVLBDNUJEGMG-QWHCGFSZSA-N 1 1 308.386 -1.201 20 0 DAADMO Cn1cc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001010426394 664515765 /nfs/dbraw/zinc/51/57/65/664515765.db2.gz HOFZWVCVTLQHFQ-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001010426394 664515767 /nfs/dbraw/zinc/51/57/67/664515767.db2.gz HOFZWVCVTLQHFQ-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425081 664515773 /nfs/dbraw/zinc/51/57/73/664515773.db2.gz AIETWVWQSQQAEB-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425081 664515774 /nfs/dbraw/zinc/51/57/74/664515774.db2.gz AIETWVWQSQQAEB-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425065 664515787 /nfs/dbraw/zinc/51/57/87/664515787.db2.gz AHTOHKSDCDYABH-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425065 664515789 /nfs/dbraw/zinc/51/57/89/664515789.db2.gz AHTOHKSDCDYABH-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1ncc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425127 664515798 /nfs/dbraw/zinc/51/57/98/664515798.db2.gz BGNAKFHIIVOJKK-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425127 664515800 /nfs/dbraw/zinc/51/58/00/664515800.db2.gz BGNAKFHIIVOJKK-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427882 664515846 /nfs/dbraw/zinc/51/58/46/664515846.db2.gz MMUVLBDNUJEGMG-STQMWFEESA-N 1 1 308.386 -1.201 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426081 664515901 /nfs/dbraw/zinc/51/59/01/664515901.db2.gz GWZVRTGKTOBEHX-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426081 664515905 /nfs/dbraw/zinc/51/59/05/664515905.db2.gz GWZVRTGKTOBEHX-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425066 664515936 /nfs/dbraw/zinc/51/59/36/664515936.db2.gz AHTOHKSDCDYABH-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425066 664515938 /nfs/dbraw/zinc/51/59/38/664515938.db2.gz AHTOHKSDCDYABH-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010416035 664515949 /nfs/dbraw/zinc/51/59/49/664515949.db2.gz MSOKWVHZDKRPSH-QWRGUYRKSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010416035 664515952 /nfs/dbraw/zinc/51/59/52/664515952.db2.gz MSOKWVHZDKRPSH-QWRGUYRKSA-N 1 1 305.338 -1.052 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426088 664515971 /nfs/dbraw/zinc/51/59/71/664515971.db2.gz GWZVRTGKTOBEHX-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426088 664515973 /nfs/dbraw/zinc/51/59/73/664515973.db2.gz GWZVRTGKTOBEHX-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001010427658 664516021 /nfs/dbraw/zinc/51/60/21/664516021.db2.gz MMUVLBDNUJEGMG-OLZOCXBDSA-N 1 1 308.386 -1.201 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001010546627 664516396 /nfs/dbraw/zinc/51/63/96/664516396.db2.gz QOGXSIUFYYLXFJ-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC(=O)C1 ZINC001010537739 664516405 /nfs/dbraw/zinc/51/64/05/664516405.db2.gz LBNDYUDFFOPCEI-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010661295 664517318 /nfs/dbraw/zinc/51/73/18/664517318.db2.gz DITVNXWJKUGISV-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010661295 664517321 /nfs/dbraw/zinc/51/73/21/664517321.db2.gz DITVNXWJKUGISV-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010677633 664517911 /nfs/dbraw/zinc/51/79/11/664517911.db2.gz YDDJGPUXXINGFS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010677633 664517914 /nfs/dbraw/zinc/51/79/14/664517914.db2.gz YDDJGPUXXINGFS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001010699081 664518288 /nfs/dbraw/zinc/51/82/88/664518288.db2.gz QTPOZKLIGPCBRR-UWVGGRQHSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001010699081 664518291 /nfs/dbraw/zinc/51/82/91/664518291.db2.gz QTPOZKLIGPCBRR-UWVGGRQHSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010697843 664518315 /nfs/dbraw/zinc/51/83/15/664518315.db2.gz MDZHQWRVDOKPGX-JTQLQIEISA-N 1 1 323.357 -1.801 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cncnc1 ZINC001010724666 664518919 /nfs/dbraw/zinc/51/89/19/664518919.db2.gz FQTLKFSEHQGBTK-NSHDSACASA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cncnc1 ZINC001010724666 664518920 /nfs/dbraw/zinc/51/89/20/664518920.db2.gz FQTLKFSEHQGBTK-NSHDSACASA-N 1 1 318.337 -1.168 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771857 664519287 /nfs/dbraw/zinc/51/92/87/664519287.db2.gz DKFXHAUPVOEGSI-RKDXNWHRSA-N 1 1 322.321 -1.412 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001010771857 664519288 /nfs/dbraw/zinc/51/92/88/664519288.db2.gz DKFXHAUPVOEGSI-RKDXNWHRSA-N 1 1 322.321 -1.412 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010793028 664519766 /nfs/dbraw/zinc/51/97/66/664519766.db2.gz FLCIHHWNYMUFSA-PWSUYJOCSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010793028 664519771 /nfs/dbraw/zinc/51/97/71/664519771.db2.gz FLCIHHWNYMUFSA-PWSUYJOCSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813955 664520337 /nfs/dbraw/zinc/52/03/37/664520337.db2.gz DXDGYKQXLUJTLW-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813955 664520340 /nfs/dbraw/zinc/52/03/40/664520340.db2.gz DXDGYKQXLUJTLW-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001010817471 664520360 /nfs/dbraw/zinc/52/03/60/664520360.db2.gz RBTNPLHBRWREDM-GXSJLCMTSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001010817471 664520362 /nfs/dbraw/zinc/52/03/62/664520362.db2.gz RBTNPLHBRWREDM-GXSJLCMTSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001010843351 664520765 /nfs/dbraw/zinc/52/07/65/664520765.db2.gz WFXUNXCGNXNLFJ-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001010841193 664520833 /nfs/dbraw/zinc/52/08/33/664520833.db2.gz MVZVWUBLCAXADE-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001010841193 664520836 /nfs/dbraw/zinc/52/08/36/664520836.db2.gz MVZVWUBLCAXADE-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001010843357 664521175 /nfs/dbraw/zinc/52/11/75/664521175.db2.gz WFXUNXCGNXNLFJ-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001010836779 664521330 /nfs/dbraw/zinc/52/13/30/664521330.db2.gz AKZZASFTHUSQJQ-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001010836779 664521335 /nfs/dbraw/zinc/52/13/35/664521335.db2.gz AKZZASFTHUSQJQ-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001010836784 664521360 /nfs/dbraw/zinc/52/13/60/664521360.db2.gz AKZZASFTHUSQJQ-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001010836784 664521361 /nfs/dbraw/zinc/52/13/61/664521361.db2.gz AKZZASFTHUSQJQ-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001010878081 664521505 /nfs/dbraw/zinc/52/15/05/664521505.db2.gz ZIIFHPLCBLFXJV-RYUDHWBXSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001010878081 664521508 /nfs/dbraw/zinc/52/15/08/664521508.db2.gz ZIIFHPLCBLFXJV-RYUDHWBXSA-N 1 1 324.381 -1.876 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)nn1 ZINC001010873025 664521524 /nfs/dbraw/zinc/52/15/24/664521524.db2.gz BGVKFRAWPHNPMF-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010874595 664521692 /nfs/dbraw/zinc/52/16/92/664521692.db2.gz FSCQSBKLZXCBEQ-LLVKDONJSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010874595 664521698 /nfs/dbraw/zinc/52/16/98/664521698.db2.gz FSCQSBKLZXCBEQ-LLVKDONJSA-N 1 1 322.369 -1.570 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001010870199 664521725 /nfs/dbraw/zinc/52/17/25/664521725.db2.gz ATWRLYHWMPCJQD-GFCCVEGCSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001010870199 664521726 /nfs/dbraw/zinc/52/17/26/664521726.db2.gz ATWRLYHWMPCJQD-GFCCVEGCSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001010879599 664521731 /nfs/dbraw/zinc/52/17/31/664521731.db2.gz ZTNJFNGYEWZYEI-SNVBAGLBSA-N 1 1 308.342 -1.580 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001010879599 664521732 /nfs/dbraw/zinc/52/17/32/664521732.db2.gz ZTNJFNGYEWZYEI-SNVBAGLBSA-N 1 1 308.342 -1.580 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001010881250 664522307 /nfs/dbraw/zinc/52/23/07/664522307.db2.gz WAAGHMJYTFJLQM-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001010881250 664522310 /nfs/dbraw/zinc/52/23/10/664522310.db2.gz WAAGHMJYTFJLQM-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001011075870 664525233 /nfs/dbraw/zinc/52/52/33/664525233.db2.gz BWXQTXANAJEISX-LLVKDONJSA-N 1 1 321.337 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001011159540 664526327 /nfs/dbraw/zinc/52/63/27/664526327.db2.gz XTXVJFGKDJJRFC-GFCCVEGCSA-N 1 1 306.370 -1.099 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001011162711 664526386 /nfs/dbraw/zinc/52/63/86/664526386.db2.gz SLUWZKNDQYIMMF-VXGBXAGGSA-N 1 1 323.397 -1.368 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011158666 664526394 /nfs/dbraw/zinc/52/63/94/664526394.db2.gz CCYMQHTWDNAIRX-LLVKDONJSA-N 1 1 307.358 -1.704 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001011159541 664526511 /nfs/dbraw/zinc/52/65/11/664526511.db2.gz XTXVJFGKDJJRFC-LBPRGKRZSA-N 1 1 306.370 -1.099 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001011162709 664526608 /nfs/dbraw/zinc/52/66/08/664526608.db2.gz SLUWZKNDQYIMMF-NWDGAFQWSA-N 1 1 323.397 -1.368 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001011163631 664526837 /nfs/dbraw/zinc/52/68/37/664526837.db2.gz VEICZLRSGSSIOR-LBPRGKRZSA-N 1 1 319.365 -1.002 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011175845 664526900 /nfs/dbraw/zinc/52/69/00/664526900.db2.gz JRMYFPZHWSONNP-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011177063 664527528 /nfs/dbraw/zinc/52/75/28/664527528.db2.gz RLWMIISNNRVPIM-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)C1CCC1 ZINC001011282232 664528778 /nfs/dbraw/zinc/52/87/78/664528778.db2.gz YDIMZJMYZUMCHL-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)O1 ZINC001011321034 664528927 /nfs/dbraw/zinc/52/89/27/664528927.db2.gz CQDFPKVWLIGCOX-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)O1 ZINC001011321034 664528928 /nfs/dbraw/zinc/52/89/28/664528928.db2.gz CQDFPKVWLIGCOX-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001011404824 664529417 /nfs/dbraw/zinc/52/94/17/664529417.db2.gz RKRYXILADHLEHF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001011404827 664529505 /nfs/dbraw/zinc/52/95/05/664529505.db2.gz RKRYXILADHLEHF-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001011646201 664532396 /nfs/dbraw/zinc/53/23/96/664532396.db2.gz NUDFDWNJLLABKV-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001011646198 664532496 /nfs/dbraw/zinc/53/24/96/664532496.db2.gz NUDFDWNJLLABKV-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001012055300 664538742 /nfs/dbraw/zinc/53/87/42/664538742.db2.gz BUGBQWZIXYLNCH-LLVKDONJSA-N 1 1 321.385 -1.164 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012144075 664539467 /nfs/dbraw/zinc/53/94/67/664539467.db2.gz OXIATQMTHYNRFV-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012144075 664539468 /nfs/dbraw/zinc/53/94/68/664539468.db2.gz OXIATQMTHYNRFV-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001012290984 664541259 /nfs/dbraw/zinc/54/12/59/664541259.db2.gz RBFGAITZFBNOLG-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001013071323 664546115 /nfs/dbraw/zinc/54/61/15/664546115.db2.gz SCFSKMJXZIREEB-BDAKNGLRSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001013071327 664546317 /nfs/dbraw/zinc/54/63/17/664546317.db2.gz SCFSKMJXZIREEB-DTWKUNHWSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC001013240412 664547296 /nfs/dbraw/zinc/54/72/96/664547296.db2.gz NWXLYPAOGBDMST-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001014428080 664554199 /nfs/dbraw/zinc/55/41/99/664554199.db2.gz KAWYGMFSALJKSS-GHMZBOCLSA-N 1 1 317.357 -1.357 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447665 664554972 /nfs/dbraw/zinc/55/49/72/664554972.db2.gz QGOIGSLCYWTVBW-NWDGAFQWSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447665 664554974 /nfs/dbraw/zinc/55/49/74/664554974.db2.gz QGOIGSLCYWTVBW-NWDGAFQWSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001014446277 664555017 /nfs/dbraw/zinc/55/50/17/664555017.db2.gz GHUMPFHWIGHDTD-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014445944 664555130 /nfs/dbraw/zinc/55/51/30/664555130.db2.gz DNRTYQOKCTXVCY-GXSJLCMTSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014445944 664555132 /nfs/dbraw/zinc/55/51/32/664555132.db2.gz DNRTYQOKCTXVCY-GXSJLCMTSA-N 1 1 307.358 -1.469 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014448377 664555159 /nfs/dbraw/zinc/55/51/59/664555159.db2.gz WJBJQBGUDHTWCS-VIFPVBQESA-N 1 1 322.329 -2.585 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014500177 664555333 /nfs/dbraw/zinc/55/53/33/664555333.db2.gz GZNNNZNDNZPDGY-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504865 664555539 /nfs/dbraw/zinc/55/55/39/664555539.db2.gz YPPCOIJBCQYDAR-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504865 664555541 /nfs/dbraw/zinc/55/55/41/664555541.db2.gz YPPCOIJBCQYDAR-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579778 664555995 /nfs/dbraw/zinc/55/59/95/664555995.db2.gz NBZPMICQVAZRRX-GXSJLCMTSA-N 1 1 315.337 -1.183 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579778 664555996 /nfs/dbraw/zinc/55/59/96/664555996.db2.gz NBZPMICQVAZRRX-GXSJLCMTSA-N 1 1 315.337 -1.183 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614064 664556296 /nfs/dbraw/zinc/55/62/96/664556296.db2.gz DIUXZDXBCPLJCT-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614064 664556298 /nfs/dbraw/zinc/55/62/98/664556298.db2.gz DIUXZDXBCPLJCT-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628057 664556395 /nfs/dbraw/zinc/55/63/95/664556395.db2.gz PIINTFMOLZUNFN-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628057 664556396 /nfs/dbraw/zinc/55/63/96/664556396.db2.gz PIINTFMOLZUNFN-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014631118 664556625 /nfs/dbraw/zinc/55/66/25/664556625.db2.gz OHQXGOOQQSDXRX-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014631124 664556662 /nfs/dbraw/zinc/55/66/62/664556662.db2.gz OHQXGOOQQSDXRX-RYUDHWBXSA-N 1 1 324.381 -1.228 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014706643 664556740 /nfs/dbraw/zinc/55/67/40/664556740.db2.gz QLAFEUKTHHWVER-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014631121 664556786 /nfs/dbraw/zinc/55/67/86/664556786.db2.gz OHQXGOOQQSDXRX-NWDGAFQWSA-N 1 1 324.381 -1.228 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CC1=O ZINC001014638881 664556795 /nfs/dbraw/zinc/55/67/95/664556795.db2.gz WWEQYDQEVXSJTJ-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643294 664556915 /nfs/dbraw/zinc/55/69/15/664556915.db2.gz NNFXZFRUOKQGKF-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739817 664557076 /nfs/dbraw/zinc/55/70/76/664557076.db2.gz GGMGWJKOMPPWRB-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739817 664557078 /nfs/dbraw/zinc/55/70/78/664557078.db2.gz GGMGWJKOMPPWRB-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739275 664557273 /nfs/dbraw/zinc/55/72/73/664557273.db2.gz DFQJFKLTTIOBFG-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739275 664557274 /nfs/dbraw/zinc/55/72/74/664557274.db2.gz DFQJFKLTTIOBFG-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001014740370 664557279 /nfs/dbraw/zinc/55/72/79/664557279.db2.gz KYJKCYRFXWJQJH-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001014740370 664557281 /nfs/dbraw/zinc/55/72/81/664557281.db2.gz KYJKCYRFXWJQJH-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014742807 664557298 /nfs/dbraw/zinc/55/72/98/664557298.db2.gz WCKQUWIIYPOOSW-GHMZBOCLSA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014742807 664557300 /nfs/dbraw/zinc/55/73/00/664557300.db2.gz WCKQUWIIYPOOSW-GHMZBOCLSA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014742809 664557309 /nfs/dbraw/zinc/55/73/09/664557309.db2.gz WCKQUWIIYPOOSW-QWRGUYRKSA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014742809 664557311 /nfs/dbraw/zinc/55/73/11/664557311.db2.gz WCKQUWIIYPOOSW-QWRGUYRKSA-N 1 1 310.354 -2.076 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740228 664557364 /nfs/dbraw/zinc/55/73/64/664557364.db2.gz JJKVCOIKRACTNY-GFCCVEGCSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740228 664557365 /nfs/dbraw/zinc/55/73/65/664557365.db2.gz JJKVCOIKRACTNY-GFCCVEGCSA-N 1 1 321.381 -1.031 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001014776914 664557581 /nfs/dbraw/zinc/55/75/81/664557581.db2.gz RWXHKAAYDPTUIK-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001014770419 664557665 /nfs/dbraw/zinc/55/76/65/664557665.db2.gz PZCNCCDQDWBUHK-MNOVXSKESA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)cn1 ZINC001014770419 664557668 /nfs/dbraw/zinc/55/76/68/664557668.db2.gz PZCNCCDQDWBUHK-MNOVXSKESA-N 1 1 320.353 -1.291 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014774736 664557834 /nfs/dbraw/zinc/55/78/34/664557834.db2.gz HSCVVYLDKARFNQ-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812204 664558053 /nfs/dbraw/zinc/55/80/53/664558053.db2.gz QVNDVZFLHATMOK-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1)N1CCC1 ZINC001014812204 664558054 /nfs/dbraw/zinc/55/80/54/664558054.db2.gz QVNDVZFLHATMOK-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840226 664558345 /nfs/dbraw/zinc/55/83/45/664558345.db2.gz QJJYQFDFHMNOTE-UWVGGRQHSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840226 664558346 /nfs/dbraw/zinc/55/83/46/664558346.db2.gz QJJYQFDFHMNOTE-UWVGGRQHSA-N 1 1 319.321 -1.209 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015000680 664558813 /nfs/dbraw/zinc/55/88/13/664558813.db2.gz QOBCJRDFRQDLKS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1=O ZINC001014999049 664559044 /nfs/dbraw/zinc/55/90/44/664559044.db2.gz GETAFRQBZPTPGZ-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005782 664559072 /nfs/dbraw/zinc/55/90/72/664559072.db2.gz WTPAYIJNZKHXRE-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005782 664559073 /nfs/dbraw/zinc/55/90/73/664559073.db2.gz WTPAYIJNZKHXRE-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999463 664559147 /nfs/dbraw/zinc/55/91/47/664559147.db2.gz JITRFJUAHSMTDP-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999463 664559149 /nfs/dbraw/zinc/55/91/49/664559149.db2.gz JITRFJUAHSMTDP-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)c1=O ZINC001015006978 664559440 /nfs/dbraw/zinc/55/94/40/664559440.db2.gz DGOFKDXXQOBONV-NSHDSACASA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)c1=O ZINC001015006978 664559441 /nfs/dbraw/zinc/55/94/41/664559441.db2.gz DGOFKDXXQOBONV-NSHDSACASA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015007799 664559526 /nfs/dbraw/zinc/55/95/26/664559526.db2.gz HKXJESZQGIVXDK-LLVKDONJSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015007799 664559529 /nfs/dbraw/zinc/55/95/29/664559529.db2.gz HKXJESZQGIVXDK-LLVKDONJSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)c1=O ZINC001015008838 664559601 /nfs/dbraw/zinc/55/96/01/664559601.db2.gz LIEYDOYKRKXNGS-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)c1=O ZINC001015008838 664559602 /nfs/dbraw/zinc/55/96/02/664559602.db2.gz LIEYDOYKRKXNGS-WDEREUQCSA-N 1 1 322.369 -1.949 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015079925 664560081 /nfs/dbraw/zinc/56/00/81/664560081.db2.gz DDZQRJCHXGFVPC-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015079925 664560084 /nfs/dbraw/zinc/56/00/84/664560084.db2.gz DDZQRJCHXGFVPC-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015087754 664560623 /nfs/dbraw/zinc/56/06/23/664560623.db2.gz LSAWBXBXSCRQGH-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015087754 664560624 /nfs/dbraw/zinc/56/06/24/664560624.db2.gz LSAWBXBXSCRQGH-GFCCVEGCSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015089504 664560668 /nfs/dbraw/zinc/56/06/68/664560668.db2.gz FXJDJFDZDRBFCQ-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139647 664560953 /nfs/dbraw/zinc/56/09/53/664560953.db2.gz JOCPHRGNWCYGEL-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139647 664560954 /nfs/dbraw/zinc/56/09/54/664560954.db2.gz JOCPHRGNWCYGEL-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139981 664561102 /nfs/dbraw/zinc/56/11/02/664561102.db2.gz NUZHFOOOISMBKC-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139981 664561105 /nfs/dbraw/zinc/56/11/05/664561105.db2.gz NUZHFOOOISMBKC-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO COCCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)ccc1=O ZINC001015177906 664561318 /nfs/dbraw/zinc/56/13/18/664561318.db2.gz PEIIFDGLQZAFKK-LLVKDONJSA-N 1 1 310.354 -1.314 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015290810 664561895 /nfs/dbraw/zinc/56/18/95/664561895.db2.gz PFJUHGNYBZUIJQ-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015289277 664562059 /nfs/dbraw/zinc/56/20/59/664562059.db2.gz ILJDXWVABOBUAC-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015289274 664562149 /nfs/dbraw/zinc/56/21/49/664562149.db2.gz ILJDXWVABOBUAC-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330603 664562297 /nfs/dbraw/zinc/56/22/97/664562297.db2.gz TXULUKYGIXTLGA-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330603 664562299 /nfs/dbraw/zinc/56/22/99/664562299.db2.gz TXULUKYGIXTLGA-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001015368483 664562382 /nfs/dbraw/zinc/56/23/82/664562382.db2.gz KLSDQXGCXKOBSX-ZJUUUORDSA-N 1 1 321.374 -1.550 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001015368483 664562384 /nfs/dbraw/zinc/56/23/84/664562384.db2.gz KLSDQXGCXKOBSX-ZJUUUORDSA-N 1 1 321.374 -1.550 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015349578 664562389 /nfs/dbraw/zinc/56/23/89/664562389.db2.gz XSLDBVVFQCPLCX-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330985 664562475 /nfs/dbraw/zinc/56/24/75/664562475.db2.gz XPZXLDWYNDBGMK-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330985 664562476 /nfs/dbraw/zinc/56/24/76/664562476.db2.gz XPZXLDWYNDBGMK-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)ncc1=O ZINC001015330713 664562506 /nfs/dbraw/zinc/56/25/06/664562506.db2.gz UPRUVUFAMUXLQE-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)ncc1=O ZINC001015330713 664562507 /nfs/dbraw/zinc/56/25/07/664562507.db2.gz UPRUVUFAMUXLQE-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330605 664562536 /nfs/dbraw/zinc/56/25/36/664562536.db2.gz TXULUKYGIXTLGA-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330605 664562538 /nfs/dbraw/zinc/56/25/38/664562538.db2.gz TXULUKYGIXTLGA-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328610 664562579 /nfs/dbraw/zinc/56/25/79/664562579.db2.gz JMSUTOCFVANDTF-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328610 664562581 /nfs/dbraw/zinc/56/25/81/664562581.db2.gz JMSUTOCFVANDTF-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015358059 664562584 /nfs/dbraw/zinc/56/25/84/664562584.db2.gz RKTYKUPHSSOODF-JQWIXIFHSA-N 1 1 306.370 -1.081 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001015358059 664562586 /nfs/dbraw/zinc/56/25/86/664562586.db2.gz RKTYKUPHSSOODF-JQWIXIFHSA-N 1 1 306.370 -1.081 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329927 664562596 /nfs/dbraw/zinc/56/25/96/664562596.db2.gz NITSSSNTVCJFOJ-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329927 664562597 /nfs/dbraw/zinc/56/25/97/664562597.db2.gz NITSSSNTVCJFOJ-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330606 664562652 /nfs/dbraw/zinc/56/26/52/664562652.db2.gz TXULUKYGIXTLGA-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001015330606 664562653 /nfs/dbraw/zinc/56/26/53/664562653.db2.gz TXULUKYGIXTLGA-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001015368481 664562663 /nfs/dbraw/zinc/56/26/63/664562663.db2.gz KLSDQXGCXKOBSX-UWVGGRQHSA-N 1 1 321.374 -1.550 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001015368481 664562665 /nfs/dbraw/zinc/56/26/65/664562665.db2.gz KLSDQXGCXKOBSX-UWVGGRQHSA-N 1 1 321.374 -1.550 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001015329953 664562703 /nfs/dbraw/zinc/56/27/03/664562703.db2.gz NZBVFYIHMXSCRE-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001015329953 664562705 /nfs/dbraw/zinc/56/27/05/664562705.db2.gz NZBVFYIHMXSCRE-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1csnn1 ZINC001015426264 664563176 /nfs/dbraw/zinc/56/31/76/664563176.db2.gz JNPLCPYCUBDMTG-MRVPVSSYSA-N 1 1 324.366 -1.106 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1csnn1 ZINC001015426264 664563177 /nfs/dbraw/zinc/56/31/77/664563177.db2.gz JNPLCPYCUBDMTG-MRVPVSSYSA-N 1 1 324.366 -1.106 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508169 664563334 /nfs/dbraw/zinc/56/33/34/664563334.db2.gz HKVMAWYORVXNLC-WDEREUQCSA-N 1 1 311.386 -2.257 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508169 664563336 /nfs/dbraw/zinc/56/33/36/664563336.db2.gz HKVMAWYORVXNLC-WDEREUQCSA-N 1 1 311.386 -2.257 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501426 664563368 /nfs/dbraw/zinc/56/33/68/664563368.db2.gz AHRQVFOLHZHQRN-RYUDHWBXSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501426 664563369 /nfs/dbraw/zinc/56/33/69/664563369.db2.gz AHRQVFOLHZHQRN-RYUDHWBXSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501427 664563477 /nfs/dbraw/zinc/56/34/77/664563477.db2.gz AHRQVFOLHZHQRN-VXGBXAGGSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501427 664563479 /nfs/dbraw/zinc/56/34/79/664563479.db2.gz AHRQVFOLHZHQRN-VXGBXAGGSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001015510035 664563827 /nfs/dbraw/zinc/56/38/27/664563827.db2.gz KYMCWSMRPAMNHI-MNOVXSKESA-N 1 1 309.370 -1.662 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508953 664563833 /nfs/dbraw/zinc/56/38/33/664563833.db2.gz IGCRNJVIXUSIRE-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508953 664563834 /nfs/dbraw/zinc/56/38/34/664563834.db2.gz IGCRNJVIXUSIRE-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001015511069 664563840 /nfs/dbraw/zinc/56/38/40/664563840.db2.gz VEAVMZFGRCNWIY-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513829 664564066 /nfs/dbraw/zinc/56/40/66/664564066.db2.gz KZXCZKPVBCTRPA-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513829 664564068 /nfs/dbraw/zinc/56/40/68/664564068.db2.gz KZXCZKPVBCTRPA-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)NC1=O ZINC001015511755 664564120 /nfs/dbraw/zinc/56/41/20/664564120.db2.gz YMMKCHZRNWVSMW-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CCNC1=O ZINC001015516135 664564422 /nfs/dbraw/zinc/56/44/22/664564422.db2.gz ANCGMYNXAMVFRL-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C2)n1 ZINC001015552758 664564714 /nfs/dbraw/zinc/56/47/14/664564714.db2.gz GRFWRNAXIZUYKC-NXEZZACHSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001015553833 664564732 /nfs/dbraw/zinc/56/47/32/664564732.db2.gz IWVGFVDJQUQYBD-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001015553833 664564735 /nfs/dbraw/zinc/56/47/35/664564735.db2.gz IWVGFVDJQUQYBD-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015555201 664565211 /nfs/dbraw/zinc/56/52/11/664565211.db2.gz UPBSMPYAWAATGV-MRVPVSSYSA-N 1 1 322.329 -2.434 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015555201 664565212 /nfs/dbraw/zinc/56/52/12/664565212.db2.gz UPBSMPYAWAATGV-MRVPVSSYSA-N 1 1 322.329 -2.434 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622668 664565615 /nfs/dbraw/zinc/56/56/15/664565615.db2.gz JBIHPTNPPPKGEP-WCBMZHEXSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622668 664565616 /nfs/dbraw/zinc/56/56/16/664565616.db2.gz JBIHPTNPPPKGEP-WCBMZHEXSA-N 1 1 319.321 -1.621 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622018 664565756 /nfs/dbraw/zinc/56/57/56/664565756.db2.gz BABOIPAQSOTIMI-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622018 664565758 /nfs/dbraw/zinc/56/57/58/664565758.db2.gz BABOIPAQSOTIMI-GXSJLCMTSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015634066 664565937 /nfs/dbraw/zinc/56/59/37/664565937.db2.gz KIMBPHBBMCXVOM-RKDXNWHRSA-N 1 1 324.341 -2.590 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1=O ZINC001015634569 664565944 /nfs/dbraw/zinc/56/59/44/664565944.db2.gz MKHMHUGHHFPBIV-NEPJUHHUSA-N 1 1 319.365 -1.243 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015634065 664566028 /nfs/dbraw/zinc/56/60/28/664566028.db2.gz KIMBPHBBMCXVOM-IUCAKERBSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015623213 664566121 /nfs/dbraw/zinc/56/61/21/664566121.db2.gz QKPRHJVNNUEXSR-SNVBAGLBSA-N 1 1 320.353 -1.401 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633189 664566198 /nfs/dbraw/zinc/56/61/98/664566198.db2.gz DLRHOPMRKUWMKK-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633189 664566199 /nfs/dbraw/zinc/56/61/99/664566199.db2.gz DLRHOPMRKUWMKK-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001015634846 664566210 /nfs/dbraw/zinc/56/62/10/664566210.db2.gz OMGBFXRAOZHNTK-RYUDHWBXSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015634064 664566224 /nfs/dbraw/zinc/56/62/24/664566224.db2.gz KIMBPHBBMCXVOM-DTWKUNHWSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015635564 664566396 /nfs/dbraw/zinc/56/63/96/664566396.db2.gz USZICSOBCRDDQD-UWVGGRQHSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015638271 664566531 /nfs/dbraw/zinc/56/65/31/664566531.db2.gz VMLMVYAAJMULDV-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015635565 664566541 /nfs/dbraw/zinc/56/65/41/664566541.db2.gz USZICSOBCRDDQD-VHSXEESVSA-N 1 1 310.358 -2.117 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658552 664566750 /nfs/dbraw/zinc/56/67/50/664566750.db2.gz PPRVAAOYPRPWPH-SCZZXKLOSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658552 664566752 /nfs/dbraw/zinc/56/67/52/664566752.db2.gz PPRVAAOYPRPWPH-SCZZXKLOSA-N 1 1 321.337 -1.265 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CCNC1=O ZINC001015695344 664566863 /nfs/dbraw/zinc/56/68/63/664566863.db2.gz JFILNBHQIJYWRJ-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1n[nH]cc1F ZINC001015666676 664567048 /nfs/dbraw/zinc/56/70/48/664567048.db2.gz XVHAPWWWFZNGLH-MRVPVSSYSA-N 1 1 324.316 -1.095 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1n[nH]cc1F ZINC001015666676 664567049 /nfs/dbraw/zinc/56/70/49/664567049.db2.gz XVHAPWWWFZNGLH-MRVPVSSYSA-N 1 1 324.316 -1.095 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001015709879 664567163 /nfs/dbraw/zinc/56/71/63/664567163.db2.gz BMIXXAALUKDUSC-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015769666 664567205 /nfs/dbraw/zinc/56/72/05/664567205.db2.gz GDDLZGSUEDVDND-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CCNC1=O ZINC001015699823 664567530 /nfs/dbraw/zinc/56/75/30/664567530.db2.gz RQZSDDWHXYZHQG-BXUZGUMPSA-N 1 1 306.370 -1.005 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001015711863 664567537 /nfs/dbraw/zinc/56/75/37/664567537.db2.gz SALJKHCQOZVUIA-JLLWLGSASA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001015711863 664567538 /nfs/dbraw/zinc/56/75/38/664567538.db2.gz SALJKHCQOZVUIA-JLLWLGSASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789371 664567915 /nfs/dbraw/zinc/56/79/15/664567915.db2.gz QJJAQNHGLBVJIQ-VHSXEESVSA-N 1 1 310.354 -1.731 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCF)C2)C1=O ZINC001015790183 664567924 /nfs/dbraw/zinc/56/79/24/664567924.db2.gz DNRYEQOMLNDDJV-MRVPVSSYSA-N 1 1 300.290 -1.433 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1=O ZINC001015790183 664567925 /nfs/dbraw/zinc/56/79/25/664567925.db2.gz DNRYEQOMLNDDJV-MRVPVSSYSA-N 1 1 300.290 -1.433 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015773753 664567988 /nfs/dbraw/zinc/56/79/88/664567988.db2.gz NDDCIOMPCWVLNE-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015773753 664567991 /nfs/dbraw/zinc/56/79/91/664567991.db2.gz NDDCIOMPCWVLNE-KOLCDFICSA-N 1 1 320.353 -1.291 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015816317 664568280 /nfs/dbraw/zinc/56/82/80/664568280.db2.gz XAXNXGZQIKEGPG-GHMZBOCLSA-N 1 1 321.385 -1.125 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015816317 664568283 /nfs/dbraw/zinc/56/82/83/664568283.db2.gz XAXNXGZQIKEGPG-GHMZBOCLSA-N 1 1 321.385 -1.125 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015816325 664568293 /nfs/dbraw/zinc/56/82/93/664568293.db2.gz XAXNXGZQIKEGPG-WDEREUQCSA-N 1 1 321.385 -1.125 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015816325 664568294 /nfs/dbraw/zinc/56/82/94/664568294.db2.gz XAXNXGZQIKEGPG-WDEREUQCSA-N 1 1 321.385 -1.125 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001015825080 664568386 /nfs/dbraw/zinc/56/83/86/664568386.db2.gz CVOLCGPTUZIAHI-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822864 664568411 /nfs/dbraw/zinc/56/84/11/664568411.db2.gz NDYRJSSKMNXUJM-NWDGAFQWSA-N 1 1 324.385 -1.250 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001015837030 664568779 /nfs/dbraw/zinc/56/87/79/664568779.db2.gz TYIAKKRZKLFDJN-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001015837030 664568781 /nfs/dbraw/zinc/56/87/81/664568781.db2.gz TYIAKKRZKLFDJN-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015843125 664568884 /nfs/dbraw/zinc/56/88/84/664568884.db2.gz WQZGQEIIGXMXCR-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001015843125 664568886 /nfs/dbraw/zinc/56/88/86/664568886.db2.gz WQZGQEIIGXMXCR-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837715 664568898 /nfs/dbraw/zinc/56/88/98/664568898.db2.gz ZCUDYKHJNZXRGZ-SCZZXKLOSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837715 664568900 /nfs/dbraw/zinc/56/89/00/664568900.db2.gz ZCUDYKHJNZXRGZ-SCZZXKLOSA-N 1 1 310.354 -1.636 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864522 664568961 /nfs/dbraw/zinc/56/89/61/664568961.db2.gz AXTZYTYBQVSPID-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864522 664568962 /nfs/dbraw/zinc/56/89/62/664568962.db2.gz AXTZYTYBQVSPID-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864950 664569042 /nfs/dbraw/zinc/56/90/42/664569042.db2.gz MHFAEINGGPCZAH-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864950 664569044 /nfs/dbraw/zinc/56/90/44/664569044.db2.gz MHFAEINGGPCZAH-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836980 664569047 /nfs/dbraw/zinc/56/90/47/664569047.db2.gz MJCIAYKHRYSWFQ-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836980 664569049 /nfs/dbraw/zinc/56/90/49/664569049.db2.gz MJCIAYKHRYSWFQ-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001015868874 664569188 /nfs/dbraw/zinc/56/91/88/664569188.db2.gz FGLRHHVPZRAMMM-PWSUYJOCSA-N 1 1 319.365 -1.044 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001015868874 664569190 /nfs/dbraw/zinc/56/91/90/664569190.db2.gz FGLRHHVPZRAMMM-PWSUYJOCSA-N 1 1 319.365 -1.044 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015866954 664569203 /nfs/dbraw/zinc/56/92/03/664569203.db2.gz WXLVZEFWJGKRTJ-BDAKNGLRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015866954 664569204 /nfs/dbraw/zinc/56/92/04/664569204.db2.gz WXLVZEFWJGKRTJ-BDAKNGLRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1)c1cnon1 ZINC001015877558 664569438 /nfs/dbraw/zinc/56/94/38/664569438.db2.gz WPBKWULOZISLJG-QWRGUYRKSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1cnon1 ZINC001015877558 664569441 /nfs/dbraw/zinc/56/94/41/664569441.db2.gz WPBKWULOZISLJG-QWRGUYRKSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015865883 664569468 /nfs/dbraw/zinc/56/94/68/664569468.db2.gz IQOPSGRBYUJVAF-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015865883 664569469 /nfs/dbraw/zinc/56/94/69/664569469.db2.gz IQOPSGRBYUJVAF-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865355 664569542 /nfs/dbraw/zinc/56/95/42/664569542.db2.gz WQLABMHPCPHMSH-RKDXNWHRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865355 664569543 /nfs/dbraw/zinc/56/95/43/664569543.db2.gz WQLABMHPCPHMSH-RKDXNWHRSA-N 1 1 311.342 -2.137 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cccnn1 ZINC001015887326 664569642 /nfs/dbraw/zinc/56/96/42/664569642.db2.gz VBUPAJVDNRLQQV-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cccnn1 ZINC001015887326 664569644 /nfs/dbraw/zinc/56/96/44/664569644.db2.gz VBUPAJVDNRLQQV-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015906288 664569899 /nfs/dbraw/zinc/56/98/99/664569899.db2.gz WXQGLGREMHLLTR-SNVBAGLBSA-N 1 1 320.353 -1.306 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015968469 664570038 /nfs/dbraw/zinc/57/00/38/664570038.db2.gz YVMWIDHYOHQPMG-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001015968469 664570040 /nfs/dbraw/zinc/57/00/40/664570040.db2.gz YVMWIDHYOHQPMG-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015968469 664570043 /nfs/dbraw/zinc/57/00/43/664570043.db2.gz YVMWIDHYOHQPMG-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970104 664570101 /nfs/dbraw/zinc/57/01/01/664570101.db2.gz ISXYTECGIPJXJW-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970104 664570102 /nfs/dbraw/zinc/57/01/02/664570102.db2.gz ISXYTECGIPJXJW-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970104 664570103 /nfs/dbraw/zinc/57/01/03/664570103.db2.gz ISXYTECGIPJXJW-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016031914 664570479 /nfs/dbraw/zinc/57/04/79/664570479.db2.gz UCZOPRZISVGWMN-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015996148 664570609 /nfs/dbraw/zinc/57/06/09/664570609.db2.gz DXEKBTYUNBKKNJ-PWSUYJOCSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015996148 664570610 /nfs/dbraw/zinc/57/06/10/664570610.db2.gz DXEKBTYUNBKKNJ-PWSUYJOCSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016032735 664570666 /nfs/dbraw/zinc/57/06/66/664570666.db2.gz DGHBEMMVUWSLNV-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016032736 664570767 /nfs/dbraw/zinc/57/07/67/664570767.db2.gz DGHBEMMVUWSLNV-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001016048615 664570779 /nfs/dbraw/zinc/57/07/79/664570779.db2.gz ZNHMFBRMYSOZMF-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141217 664570929 /nfs/dbraw/zinc/57/09/29/664570929.db2.gz OECWJKMLCOSREA-QWRGUYRKSA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141217 664570932 /nfs/dbraw/zinc/57/09/32/664570932.db2.gz OECWJKMLCOSREA-QWRGUYRKSA-N 1 1 324.385 -1.655 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)ccc1=O ZINC001016191879 664571476 /nfs/dbraw/zinc/57/14/76/664571476.db2.gz XLNNCTLKBALFTP-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001016182314 664571485 /nfs/dbraw/zinc/57/14/85/664571485.db2.gz OQLBAWLKURWSHY-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001016182314 664571487 /nfs/dbraw/zinc/57/14/87/664571487.db2.gz OQLBAWLKURWSHY-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016192250 664571522 /nfs/dbraw/zinc/57/15/22/664571522.db2.gz HHSZHSSDSMJZHF-VHSXEESVSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016192250 664571523 /nfs/dbraw/zinc/57/15/23/664571523.db2.gz HHSZHSSDSMJZHF-VHSXEESVSA-N 1 1 306.326 -1.726 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191892 664571526 /nfs/dbraw/zinc/57/15/26/664571526.db2.gz XOWFEKCVVDYVCF-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191892 664571527 /nfs/dbraw/zinc/57/15/27/664571527.db2.gz XOWFEKCVVDYVCF-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ccc1=O ZINC001016180721 664571556 /nfs/dbraw/zinc/57/15/56/664571556.db2.gz JLUJECHDAPXCOY-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ccc1=O ZINC001016180721 664571557 /nfs/dbraw/zinc/57/15/57/664571557.db2.gz JLUJECHDAPXCOY-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016173513 664571566 /nfs/dbraw/zinc/57/15/66/664571566.db2.gz HJEIMXJUAWBCGM-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ccc1=O ZINC001016180725 664571612 /nfs/dbraw/zinc/57/16/12/664571612.db2.gz JLUJECHDAPXCOY-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ccc1=O ZINC001016180725 664571615 /nfs/dbraw/zinc/57/16/15/664571615.db2.gz JLUJECHDAPXCOY-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016204038 664571839 /nfs/dbraw/zinc/57/18/39/664571839.db2.gz XWQJHCYKHQZIIG-RKDXNWHRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016204038 664571841 /nfs/dbraw/zinc/57/18/41/664571841.db2.gz XWQJHCYKHQZIIG-RKDXNWHRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016202836 664571906 /nfs/dbraw/zinc/57/19/06/664571906.db2.gz QPECIIJJHRUXHC-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016202836 664571907 /nfs/dbraw/zinc/57/19/07/664571907.db2.gz QPECIIJJHRUXHC-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016204036 664571934 /nfs/dbraw/zinc/57/19/34/664571934.db2.gz XWQJHCYKHQZIIG-DTWKUNHWSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016204036 664571935 /nfs/dbraw/zinc/57/19/35/664571935.db2.gz XWQJHCYKHQZIIG-DTWKUNHWSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016202843 664572087 /nfs/dbraw/zinc/57/20/87/664572087.db2.gz QPECIIJJHRUXHC-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016202843 664572090 /nfs/dbraw/zinc/57/20/90/664572090.db2.gz QPECIIJJHRUXHC-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208122 664572149 /nfs/dbraw/zinc/57/21/49/664572149.db2.gz KADXDVHGRQAGTC-WDEREUQCSA-N 1 1 322.365 -1.443 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208122 664572151 /nfs/dbraw/zinc/57/21/51/664572151.db2.gz KADXDVHGRQAGTC-WDEREUQCSA-N 1 1 322.365 -1.443 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200324 664572169 /nfs/dbraw/zinc/57/21/69/664572169.db2.gz UNXLZCXQMACHEK-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200324 664572171 /nfs/dbraw/zinc/57/21/71/664572171.db2.gz UNXLZCXQMACHEK-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016217009 664572475 /nfs/dbraw/zinc/57/24/75/664572475.db2.gz NFRKPIROSQBYFU-VXGBXAGGSA-N 1 1 304.350 -1.073 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016217009 664572477 /nfs/dbraw/zinc/57/24/77/664572477.db2.gz NFRKPIROSQBYFU-VXGBXAGGSA-N 1 1 304.350 -1.073 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210299 664572535 /nfs/dbraw/zinc/57/25/35/664572535.db2.gz XOZSEISVLHYIBM-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210299 664572536 /nfs/dbraw/zinc/57/25/36/664572536.db2.gz XOZSEISVLHYIBM-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016228348 664572538 /nfs/dbraw/zinc/57/25/38/664572538.db2.gz IHLIGJOYELTJAP-VOMCLLRMSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208789 664572550 /nfs/dbraw/zinc/57/25/50/664572550.db2.gz OPUPYJSTJMGYFE-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208789 664572551 /nfs/dbraw/zinc/57/25/51/664572551.db2.gz OPUPYJSTJMGYFE-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CC(=O)N3CCOCC3)C2)C1 ZINC001016256612 664572838 /nfs/dbraw/zinc/57/28/38/664572838.db2.gz RZFBCUKCPCSYPK-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241134 664572983 /nfs/dbraw/zinc/57/29/83/664572983.db2.gz XTCYKEXLAOVAJA-SCZZXKLOSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241134 664572984 /nfs/dbraw/zinc/57/29/84/664572984.db2.gz XTCYKEXLAOVAJA-SCZZXKLOSA-N 1 1 321.337 -1.822 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240700 664573062 /nfs/dbraw/zinc/57/30/62/664573062.db2.gz SZRVXEGKBYMCLU-WCBMZHEXSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240700 664573063 /nfs/dbraw/zinc/57/30/63/664573063.db2.gz SZRVXEGKBYMCLU-WCBMZHEXSA-N 1 1 323.353 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016238287 664573093 /nfs/dbraw/zinc/57/30/93/664573093.db2.gz BWRWJMGKWCHRPA-MRVPVSSYSA-N 1 1 309.326 -1.964 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016238287 664573095 /nfs/dbraw/zinc/57/30/95/664573095.db2.gz BWRWJMGKWCHRPA-MRVPVSSYSA-N 1 1 309.326 -1.964 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308319 664573366 /nfs/dbraw/zinc/57/33/66/664573366.db2.gz ZEVAVYPXFAFBRV-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)C1 ZINC001016308319 664573369 /nfs/dbraw/zinc/57/33/69/664573369.db2.gz ZEVAVYPXFAFBRV-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c[nH]1 ZINC001016273145 664573626 /nfs/dbraw/zinc/57/36/26/664573626.db2.gz QPRGXYUWSYIAOS-KOLCDFICSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c[nH]1 ZINC001016273145 664573627 /nfs/dbraw/zinc/57/36/27/664573627.db2.gz QPRGXYUWSYIAOS-KOLCDFICSA-N 1 1 305.338 -1.194 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341088 664573771 /nfs/dbraw/zinc/57/37/71/664573771.db2.gz IEXHPAKXSDRODG-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341120 664573862 /nfs/dbraw/zinc/57/38/62/664573862.db2.gz ILLKOAGRNATSTD-SCZZXKLOSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341120 664573863 /nfs/dbraw/zinc/57/38/63/664573863.db2.gz ILLKOAGRNATSTD-SCZZXKLOSA-N 1 1 323.357 -2.169 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001016341940 664573869 /nfs/dbraw/zinc/57/38/69/664573869.db2.gz WMLAPMFAIDZKTB-JTQLQIEISA-N 1 1 310.358 -1.837 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)nn1 ZINC001016337862 664574001 /nfs/dbraw/zinc/57/40/01/664574001.db2.gz ATCDYRBRVHTDIY-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341682 664574047 /nfs/dbraw/zinc/57/40/47/664574047.db2.gz TZXJGNLWIBCOGL-MNOVXSKESA-N 1 1 324.385 -1.449 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001016411832 664574357 /nfs/dbraw/zinc/57/43/57/664574357.db2.gz UANIIXYXXQGLNN-SECBINFHSA-N 1 1 322.325 -1.266 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016411832 664574358 /nfs/dbraw/zinc/57/43/58/664574358.db2.gz UANIIXYXXQGLNN-SECBINFHSA-N 1 1 322.325 -1.266 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407919 664574477 /nfs/dbraw/zinc/57/44/77/664574477.db2.gz GFLQUQIKMMKJGA-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407919 664574478 /nfs/dbraw/zinc/57/44/78/664574478.db2.gz GFLQUQIKMMKJGA-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)n(C)c1=O ZINC001016355157 664574568 /nfs/dbraw/zinc/57/45/68/664574568.db2.gz TYMXFKYKJWWAPG-LLVKDONJSA-N 1 1 319.369 -1.180 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397900 664574712 /nfs/dbraw/zinc/57/47/12/664574712.db2.gz PKCIZRHQYWYTQN-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016433236 664575086 /nfs/dbraw/zinc/57/50/86/664575086.db2.gz ZISAVSGJMVFVNG-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016433236 664575088 /nfs/dbraw/zinc/57/50/88/664575088.db2.gz ZISAVSGJMVFVNG-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016433235 664575148 /nfs/dbraw/zinc/57/51/48/664575148.db2.gz ZISAVSGJMVFVNG-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016433235 664575149 /nfs/dbraw/zinc/57/51/49/664575149.db2.gz ZISAVSGJMVFVNG-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)O1 ZINC001016679116 664576913 /nfs/dbraw/zinc/57/69/13/664576913.db2.gz DZGHZRHNCNZGBJ-AGVGLQIMSA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)O1 ZINC001016679116 664576915 /nfs/dbraw/zinc/57/69/15/664576915.db2.gz DZGHZRHNCNZGBJ-AGVGLQIMSA-N 1 1 312.370 -1.704 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001017184096 664580320 /nfs/dbraw/zinc/58/03/20/664580320.db2.gz GXRIUVIZUWLZAG-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCNC1=O ZINC001017130972 664580521 /nfs/dbraw/zinc/58/05/21/664580521.db2.gz XHLGUWBTLXQASH-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001017080069 664580781 /nfs/dbraw/zinc/58/07/81/664580781.db2.gz BRJXGLARBZMNKM-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001017794968 664583117 /nfs/dbraw/zinc/58/31/17/664583117.db2.gz QQUMQJBJDAJWAR-UPJWGTAASA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001018068724 664584695 /nfs/dbraw/zinc/58/46/95/664584695.db2.gz HRGHYDQSJYLKFP-GARJFASQSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001018281883 664585287 /nfs/dbraw/zinc/58/52/87/664585287.db2.gz IVZDRCHLVXVOIF-NNYUYHANSA-N 1 1 317.411 -1.266 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001018281885 664585474 /nfs/dbraw/zinc/58/54/74/664585474.db2.gz IVZDRCHLVXVOIF-WYUUTHIRSA-N 1 1 317.411 -1.266 20 0 DAADMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n1C ZINC001018479519 664587131 /nfs/dbraw/zinc/58/71/31/664587131.db2.gz HKNFHOQKPTYCHY-JTQLQIEISA-N 1 1 319.373 -1.245 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018480725 664587411 /nfs/dbraw/zinc/58/74/11/664587411.db2.gz XHUPAUXHIYSDPR-NSHDSACASA-N 1 1 319.373 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001018458422 664587431 /nfs/dbraw/zinc/58/74/31/664587431.db2.gz OAFCIRSYFNWSRJ-QMMMGPOBSA-N 1 1 304.314 -1.290 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001018481112 664587520 /nfs/dbraw/zinc/58/75/20/664587520.db2.gz IPVKCKDZFHMCQY-IUCAKERBSA-N 1 1 306.334 -1.852 20 0 DAADMO O=C(C[NH2+][C@H]1CCN(C(=O)c2ccn[nH]2)C1)N1CCNC(=O)C1 ZINC001018544738 664587693 /nfs/dbraw/zinc/58/76/93/664587693.db2.gz OPVIFDNUVCPLAD-JTQLQIEISA-N 1 1 320.353 -1.828 20 0 DAADMO Cn1nnc(CN[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001018663568 664588468 /nfs/dbraw/zinc/58/84/68/664588468.db2.gz HBMRVFIMYOZALU-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001018663568 664588469 /nfs/dbraw/zinc/58/84/69/664588469.db2.gz HBMRVFIMYOZALU-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018732608 664589102 /nfs/dbraw/zinc/58/91/02/664589102.db2.gz JXZQOCJQDXBSRY-LBPRGKRZSA-N 1 1 308.386 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018731671 664589263 /nfs/dbraw/zinc/58/92/63/664589263.db2.gz CCXZJXFTCXWVOX-NSHDSACASA-N 1 1 309.374 -1.767 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001018745880 664589276 /nfs/dbraw/zinc/58/92/76/664589276.db2.gz YQSQJTGIOCJDDS-JTQLQIEISA-N 1 1 320.357 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001018718518 664589308 /nfs/dbraw/zinc/58/93/08/664589308.db2.gz JJZLXHNTFYBTOY-ZJUUUORDSA-N 1 1 308.342 -1.146 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018744571 664589325 /nfs/dbraw/zinc/58/93/25/664589325.db2.gz ZMRGYCQVBCSZGW-JTQLQIEISA-N 1 1 320.357 -1.014 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)nn1 ZINC001018741698 664589343 /nfs/dbraw/zinc/58/93/43/664589343.db2.gz RPXUYVHZBYXCTJ-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018744127 664589374 /nfs/dbraw/zinc/58/93/74/664589374.db2.gz SVSHGICMIGTMQZ-QMMMGPOBSA-N 1 1 307.318 -2.102 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001018787745 664589949 /nfs/dbraw/zinc/58/99/49/664589949.db2.gz QBOQJHMMTMAZBT-VHSXEESVSA-N 1 1 323.357 -1.118 20 0 DAADMO CCn1nncc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001018813818 664590298 /nfs/dbraw/zinc/59/02/98/664590298.db2.gz LZQOZJQDXAYFJZ-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001018811246 664590461 /nfs/dbraw/zinc/59/04/61/664590461.db2.gz PRDFXWAJFFNKDQ-BDAKNGLRSA-N 1 1 305.346 -1.096 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001018899364 664591631 /nfs/dbraw/zinc/59/16/31/664591631.db2.gz QEJBYEUYGOXNAP-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001018899364 664591634 /nfs/dbraw/zinc/59/16/34/664591634.db2.gz QEJBYEUYGOXNAP-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001018934650 664591718 /nfs/dbraw/zinc/59/17/18/664591718.db2.gz VSVYKQBOIBLNSP-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001018898020 664591933 /nfs/dbraw/zinc/59/19/33/664591933.db2.gz VXQOUORHWLAERY-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001018898020 664591935 /nfs/dbraw/zinc/59/19/35/664591935.db2.gz VXQOUORHWLAERY-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCOCC3=O)C2)n1 ZINC001018975075 664592089 /nfs/dbraw/zinc/59/20/89/664592089.db2.gz VMUYLSNBHHIOCU-NSHDSACASA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974264 664592278 /nfs/dbraw/zinc/59/22/78/664592278.db2.gz FEWPHROLILUROF-LBPRGKRZSA-N 1 1 321.381 -1.031 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001018983967 664592920 /nfs/dbraw/zinc/59/29/20/664592920.db2.gz OCNTZFPSLXVIQN-UWVGGRQHSA-N 1 1 307.310 -1.037 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001019007251 664593563 /nfs/dbraw/zinc/59/35/63/664593563.db2.gz JSRLGEUVGFBSFB-VIFPVBQESA-N 1 1 304.314 -1.290 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)CC[N@H+]1C ZINC001019070447 664594128 /nfs/dbraw/zinc/59/41/28/664594128.db2.gz NXUACGOHGDTEME-GHMZBOCLSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001019053029 664594188 /nfs/dbraw/zinc/59/41/88/664594188.db2.gz YEKMILVMIATYDJ-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001019119825 664594913 /nfs/dbraw/zinc/59/49/13/664594913.db2.gz BSLAIQXETFOPSE-QMMMGPOBSA-N 1 1 319.325 -1.094 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001019120223 664595126 /nfs/dbraw/zinc/59/51/26/664595126.db2.gz UADJUZMKDDIALM-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)nn1 ZINC001019167666 664595646 /nfs/dbraw/zinc/59/56/46/664595646.db2.gz XPIVQJMKCAYDHT-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001019194283 664595944 /nfs/dbraw/zinc/59/59/44/664595944.db2.gz WITWAOVKYHVMHI-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019207224 664595953 /nfs/dbraw/zinc/59/59/53/664595953.db2.gz NAFZNSYRTHSHMY-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019224185 664596162 /nfs/dbraw/zinc/59/61/62/664596162.db2.gz FZUKUIKCAKUJTH-VIFPVBQESA-N 1 1 321.341 -1.531 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001019240479 664596383 /nfs/dbraw/zinc/59/63/83/664596383.db2.gz NTVCMVIUWFBBQR-ONGXEEELSA-N 1 1 307.358 -1.471 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)[nH]1 ZINC001019240346 664596575 /nfs/dbraw/zinc/59/65/75/664596575.db2.gz IKUNRZZPXLAILD-VHSXEESVSA-N 1 1 307.358 -1.173 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001019239584 664596751 /nfs/dbraw/zinc/59/67/51/664596751.db2.gz YQAXISNHTFBAHC-QWRGUYRKSA-N 1 1 321.385 -1.090 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001019247817 664596755 /nfs/dbraw/zinc/59/67/55/664596755.db2.gz JBHKKUOMZTUMEJ-UWVGGRQHSA-N 1 1 307.358 -1.479 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019257713 664596993 /nfs/dbraw/zinc/59/69/93/664596993.db2.gz CFTUIIJFPQCOLM-VIFPVBQESA-N 1 1 320.361 -1.218 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC001019261844 664597207 /nfs/dbraw/zinc/59/72/07/664597207.db2.gz ASIDONFHEFENTN-JQWIXIFHSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001019261959 664597234 /nfs/dbraw/zinc/59/72/34/664597234.db2.gz FKSHDPOBVBHWAC-VHSXEESVSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1cc(OCC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC001019295244 664597567 /nfs/dbraw/zinc/59/75/67/664597567.db2.gz XWKQRRJPVFUBHN-JTQLQIEISA-N 1 1 320.357 -1.287 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300478 664597716 /nfs/dbraw/zinc/59/77/16/664597716.db2.gz CHYVFVCYVKQQEF-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001019300420 664597795 /nfs/dbraw/zinc/59/77/95/664597795.db2.gz ANUSGNIZPPRJKS-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019309061 664597979 /nfs/dbraw/zinc/59/79/79/664597979.db2.gz OIUFIDBRASIPQR-VHSXEESVSA-N 1 1 322.373 -1.545 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019307681 664598210 /nfs/dbraw/zinc/59/82/10/664598210.db2.gz PXKYWNUTKLFXIJ-VHSXEESVSA-N 1 1 322.373 -1.374 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019309060 664598344 /nfs/dbraw/zinc/59/83/44/664598344.db2.gz OIUFIDBRASIPQR-UWVGGRQHSA-N 1 1 322.373 -1.545 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001019308733 664598369 /nfs/dbraw/zinc/59/83/69/664598369.db2.gz FRHIURMQFKBKEL-ONGXEEELSA-N 1 1 307.358 -1.330 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001019340670 664598712 /nfs/dbraw/zinc/59/87/12/664598712.db2.gz AOEVHLQPVLGZML-ZANVPECISA-N 1 1 307.358 -1.431 20 0 DAADMO CN1CC(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001019330025 664598872 /nfs/dbraw/zinc/59/88/72/664598872.db2.gz KGFYTDCXFGRZMU-IUCAKERBSA-N 1 1 321.337 -1.265 20 0 DAADMO CN1CC(C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)=NC1=O ZINC001019330352 664599001 /nfs/dbraw/zinc/59/90/01/664599001.db2.gz ZIGMLOIFZZYJRN-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019358170 664599915 /nfs/dbraw/zinc/59/99/15/664599915.db2.gz SXQWUKYQLAAZDK-UHFFFAOYSA-N 1 1 305.338 -1.262 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019356658 664600006 /nfs/dbraw/zinc/60/00/06/664600006.db2.gz YZHGHWWHYYVCKR-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001019378087 664600239 /nfs/dbraw/zinc/60/02/39/664600239.db2.gz HRYMPNFCZRRQPB-LPEHRKFASA-N 1 1 323.357 -2.067 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001019365991 664600264 /nfs/dbraw/zinc/60/02/64/664600264.db2.gz ACNHJAJQXIHGIQ-VIFPVBQESA-N 1 1 319.325 -1.094 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC001019377350 664600280 /nfs/dbraw/zinc/60/02/80/664600280.db2.gz YDYGCYTURMLRLB-ZMLRMANQSA-N 1 1 322.369 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001019375820 664600417 /nfs/dbraw/zinc/60/04/17/664600417.db2.gz VTXXSXWDJXTOJX-TVQRCGJNSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001019375821 664600496 /nfs/dbraw/zinc/60/04/96/664600496.db2.gz VTXXSXWDJXTOJX-ZANVPECISA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019441541 664600728 /nfs/dbraw/zinc/60/07/28/664600728.db2.gz NBJABLQKXZLYLO-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019441540 664601095 /nfs/dbraw/zinc/60/10/95/664601095.db2.gz NBJABLQKXZLYLO-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019405499 664601129 /nfs/dbraw/zinc/60/11/29/664601129.db2.gz JPZKRTFPKOLWRG-LBPRGKRZSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019405499 664601130 /nfs/dbraw/zinc/60/11/30/664601130.db2.gz JPZKRTFPKOLWRG-LBPRGKRZSA-N 1 1 321.385 -1.047 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)[nH]1 ZINC001019527482 664601892 /nfs/dbraw/zinc/60/18/92/664601892.db2.gz FGTXIEXFWBGRNR-VIFPVBQESA-N 1 1 321.341 -1.645 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527716 664602367 /nfs/dbraw/zinc/60/23/67/664602367.db2.gz QTYRCLPSSJYXPP-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019527880 664602370 /nfs/dbraw/zinc/60/23/70/664602370.db2.gz ZLTZGFLJAAAMNX-JTQLQIEISA-N 1 1 307.310 -1.083 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527864 664602374 /nfs/dbraw/zinc/60/23/74/664602374.db2.gz YVHOKGUZSUUGAF-QMMMGPOBSA-N 1 1 322.329 -2.548 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001019552000 664602559 /nfs/dbraw/zinc/60/25/59/664602559.db2.gz MLUWZECQURFXBV-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001019557126 664602588 /nfs/dbraw/zinc/60/25/88/664602588.db2.gz CAFSJARCXIIOOI-VIFPVBQESA-N 1 1 306.334 -2.023 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCCO2)C1 ZINC001019590195 664603254 /nfs/dbraw/zinc/60/32/54/664603254.db2.gz LRXVMOPEXFSBBO-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nn1 ZINC001019741207 664604054 /nfs/dbraw/zinc/60/40/54/664604054.db2.gz MOOPAABIAVRJFM-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001019741200 664604082 /nfs/dbraw/zinc/60/40/82/664604082.db2.gz MFUKPMHRLYAMFG-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019748895 664604127 /nfs/dbraw/zinc/60/41/27/664604127.db2.gz LBCOLNVVUPYBPQ-JTQLQIEISA-N 1 1 318.337 -1.281 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019747730 664604210 /nfs/dbraw/zinc/60/42/10/664604210.db2.gz GZJRBIGWNSHGEE-VIFPVBQESA-N 1 1 322.325 -1.380 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)C1 ZINC001019800323 664604450 /nfs/dbraw/zinc/60/44/50/664604450.db2.gz FJNUSASGDINGJN-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NCc3nnn(C)n3)C2)C1 ZINC001019800323 664604454 /nfs/dbraw/zinc/60/44/54/664604454.db2.gz FJNUSASGDINGJN-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001019753022 664604665 /nfs/dbraw/zinc/60/46/65/664604665.db2.gz CXPDYQHTDMUBHK-JTQLQIEISA-N 1 1 320.353 -1.345 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001019783567 664604706 /nfs/dbraw/zinc/60/47/06/664604706.db2.gz DNLAXUFGPKZBFJ-NSHDSACASA-N 1 1 321.385 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001019826215 664604929 /nfs/dbraw/zinc/60/49/29/664604929.db2.gz IUCXJCLERGGITO-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001019837252 664605251 /nfs/dbraw/zinc/60/52/51/664605251.db2.gz KNCSBAFRIAJCOS-VIFPVBQESA-N 1 1 320.357 -1.748 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001019837244 664605430 /nfs/dbraw/zinc/60/54/30/664605430.db2.gz KEUIIHIQSXRKMG-JTQLQIEISA-N 1 1 319.369 -1.143 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)n(C)c1=O ZINC001019837587 664605474 /nfs/dbraw/zinc/60/54/74/664605474.db2.gz ZSUSXGIMLPIOSO-JTQLQIEISA-N 1 1 319.369 -1.143 20 0 DAADMO Cn1cc(CCC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001019886421 664606116 /nfs/dbraw/zinc/60/61/16/664606116.db2.gz NTAYILAIWHDGFI-JTQLQIEISA-N 1 1 319.373 -1.338 20 0 DAADMO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001020044007 664607718 /nfs/dbraw/zinc/60/77/18/664607718.db2.gz PIGFLOBFLGVUAU-KYZUINATSA-N 1 1 305.346 -1.302 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001020087831 664608783 /nfs/dbraw/zinc/60/87/83/664608783.db2.gz XGQOGZNPXQRYLJ-OPRDCNLKSA-N 1 1 305.346 -1.200 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@@H]3COCCN3C)C2)n1 ZINC001020089800 664608855 /nfs/dbraw/zinc/60/88/55/664608855.db2.gz VVAMTQGAYPRZKM-GVXVVHGQSA-N 1 1 308.386 -1.118 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001020087830 664608958 /nfs/dbraw/zinc/60/89/58/664608958.db2.gz XGQOGZNPXQRYLJ-GUBZILKMSA-N 1 1 305.346 -1.200 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020156432 664609765 /nfs/dbraw/zinc/60/97/65/664609765.db2.gz LUEAWBLKHUQMRA-MGCOHNPYSA-N 1 1 320.361 -1.323 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)[nH]1 ZINC001020194203 664610012 /nfs/dbraw/zinc/61/00/12/664610012.db2.gz FCHVMOPWRJSQNA-MGCOHNPYSA-N 1 1 313.383 -1.105 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020249930 664610772 /nfs/dbraw/zinc/61/07/72/664610772.db2.gz ISZIPRCYPWVBHG-ZKWXMUAHSA-N 1 1 308.298 -1.596 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001020242080 664610920 /nfs/dbraw/zinc/61/09/20/664610920.db2.gz GYQOMZVXBJFTEU-XYPYZODXSA-N 1 1 322.369 -1.589 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020270951 664611235 /nfs/dbraw/zinc/61/12/35/664611235.db2.gz SZOWGFBBVYQAIA-TUAOUCFPSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001020271997 664611333 /nfs/dbraw/zinc/61/13/33/664611333.db2.gz RLGNXBGAQDPNBN-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020267094 664611348 /nfs/dbraw/zinc/61/13/48/664611348.db2.gz JISABXBMHLSVMM-ZKCHVHJHSA-N 1 1 306.330 -1.002 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1ncnn1 ZINC001020281799 664611394 /nfs/dbraw/zinc/61/13/94/664611394.db2.gz FGCXSTKXPIVTBX-SRVKXCTJSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)Cn1ncnn1 ZINC001020280746 664611449 /nfs/dbraw/zinc/61/14/49/664611449.db2.gz UKMADKZDKVGGNU-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001020367001 664611612 /nfs/dbraw/zinc/61/16/12/664611612.db2.gz JLQUAKUNXYTPDH-VPOLOUISSA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001020367001 664611619 /nfs/dbraw/zinc/61/16/19/664611619.db2.gz JLQUAKUNXYTPDH-VPOLOUISSA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)CCO1 ZINC001020343157 664611951 /nfs/dbraw/zinc/61/19/51/664611951.db2.gz JDLMJOHUTIACFP-DCAQKATOSA-N 1 1 322.369 -1.098 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)nn1 ZINC001038221310 664612054 /nfs/dbraw/zinc/61/20/54/664612054.db2.gz SITJBFPYSLNTEF-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)nn1 ZINC001038221310 664612056 /nfs/dbraw/zinc/61/20/56/664612056.db2.gz SITJBFPYSLNTEF-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)O1 ZINC001038396109 664612802 /nfs/dbraw/zinc/61/28/02/664612802.db2.gz NETAUVZOPJNGSE-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)O1 ZINC001038396109 664612804 /nfs/dbraw/zinc/61/28/04/664612804.db2.gz NETAUVZOPJNGSE-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCCNC1=O ZINC001038377782 664612957 /nfs/dbraw/zinc/61/29/57/664612957.db2.gz ONGLPAVSZTYNDC-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCCNC1=O ZINC001038377782 664612962 /nfs/dbraw/zinc/61/29/62/664612962.db2.gz ONGLPAVSZTYNDC-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)ncc1=O ZINC001038532610 664614058 /nfs/dbraw/zinc/61/40/58/664614058.db2.gz PQWXQRWISGOTJT-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)ncc1=O ZINC001038532610 664614059 /nfs/dbraw/zinc/61/40/59/664614059.db2.gz PQWXQRWISGOTJT-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCCC2=O)NC1=O ZINC001038589796 664614425 /nfs/dbraw/zinc/61/44/25/664614425.db2.gz ZSLCTUAJHVXMAX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCCC2=O)NC1=O ZINC001038589796 664614430 /nfs/dbraw/zinc/61/44/30/664614430.db2.gz ZSLCTUAJHVXMAX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)nn1-c1nc[nH]n1 ZINC001038561487 664614596 /nfs/dbraw/zinc/61/45/96/664614596.db2.gz XLDUUQQUULTSMU-JTQLQIEISA-N 1 1 320.357 -1.120 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2CCCO)nn1-c1nc[nH]n1 ZINC001038561487 664614597 /nfs/dbraw/zinc/61/45/97/664614597.db2.gz XLDUUQQUULTSMU-JTQLQIEISA-N 1 1 320.357 -1.120 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCO)c1ccc(-n2cnnn2)cn1 ZINC001038549055 664614640 /nfs/dbraw/zinc/61/46/40/664614640.db2.gz FHIGXOQRLCNWDT-JTQLQIEISA-N 1 1 303.326 -1.146 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1ccc(-n2cnnn2)cn1 ZINC001038549055 664614644 /nfs/dbraw/zinc/61/46/44/664614644.db2.gz FHIGXOQRLCNWDT-JTQLQIEISA-N 1 1 303.326 -1.146 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001038649213 664615550 /nfs/dbraw/zinc/61/55/50/664615550.db2.gz GZCDDAYXLXZCCY-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001038649213 664615553 /nfs/dbraw/zinc/61/55/53/664615553.db2.gz GZCDDAYXLXZCCY-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001038653625 664615568 /nfs/dbraw/zinc/61/55/68/664615568.db2.gz YJJNTZPSTRGZSL-VHSXEESVSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001038653625 664615572 /nfs/dbraw/zinc/61/55/72/664615572.db2.gz YJJNTZPSTRGZSL-VHSXEESVSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038650650 664615688 /nfs/dbraw/zinc/61/56/88/664615688.db2.gz JKDWQLNFZYZZDZ-SNVBAGLBSA-N 1 1 320.353 -1.401 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038650650 664615695 /nfs/dbraw/zinc/61/56/95/664615695.db2.gz JKDWQLNFZYZZDZ-SNVBAGLBSA-N 1 1 320.353 -1.401 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038651307 664615782 /nfs/dbraw/zinc/61/57/82/664615782.db2.gz OSNPHHAWRGFCAY-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038651307 664615785 /nfs/dbraw/zinc/61/57/85/664615785.db2.gz OSNPHHAWRGFCAY-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)O1 ZINC001038703696 664616459 /nfs/dbraw/zinc/61/64/59/664616459.db2.gz CFMJDGJMZRUKLB-SDDRHHMPSA-N 1 1 322.369 -1.499 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)O1 ZINC001038703696 664616461 /nfs/dbraw/zinc/61/64/61/664616461.db2.gz CFMJDGJMZRUKLB-SDDRHHMPSA-N 1 1 322.369 -1.499 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001038712523 664616526 /nfs/dbraw/zinc/61/65/26/664616526.db2.gz NOBHCJAWZFPQRR-BBBLOLIVSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001038712523 664616527 /nfs/dbraw/zinc/61/65/27/664616527.db2.gz NOBHCJAWZFPQRR-BBBLOLIVSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001038712026 664616555 /nfs/dbraw/zinc/61/65/55/664616555.db2.gz HAQBQKIMSMDKPL-AXFHLTTASA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001038712026 664616559 /nfs/dbraw/zinc/61/65/59/664616559.db2.gz HAQBQKIMSMDKPL-AXFHLTTASA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038770766 664616794 /nfs/dbraw/zinc/61/67/94/664616794.db2.gz VYOJMQGYGIMILQ-ZJUUUORDSA-N 1 1 310.354 -1.731 20 0 DAADMO COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001038802660 664616870 /nfs/dbraw/zinc/61/68/70/664616870.db2.gz VHIIZWDSFUHELZ-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001038802660 664616874 /nfs/dbraw/zinc/61/68/74/664616874.db2.gz VHIIZWDSFUHELZ-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038760021 664616897 /nfs/dbraw/zinc/61/68/97/664616897.db2.gz KSGSVUVKVVJOLH-QWRGUYRKSA-N 1 1 324.381 -1.077 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001038801171 664616985 /nfs/dbraw/zinc/61/69/85/664616985.db2.gz KXKZPHXSHZEYLN-XIRUVYRFSA-N 1 1 310.354 -1.189 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038812924 664617452 /nfs/dbraw/zinc/61/74/52/664617452.db2.gz PCEJLJUPRBAKSS-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038812924 664617453 /nfs/dbraw/zinc/61/74/53/664617453.db2.gz PCEJLJUPRBAKSS-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)c1cnon1 ZINC001038840175 664617803 /nfs/dbraw/zinc/61/78/03/664617803.db2.gz QRVQVCVDBODIBT-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCCN1C(=O)CNC1=O)c1cnon1 ZINC001038840175 664617806 /nfs/dbraw/zinc/61/78/06/664617806.db2.gz QRVQVCVDBODIBT-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047379 664618880 /nfs/dbraw/zinc/61/88/80/664618880.db2.gz PXDDLFGMLVLOIE-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047379 664618881 /nfs/dbraw/zinc/61/88/81/664618881.db2.gz PXDDLFGMLVLOIE-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C(=O)N1CCC([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001039158199 664619176 /nfs/dbraw/zinc/61/91/76/664619176.db2.gz NXHJVEOEFSOKPV-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001039329593 664619191 /nfs/dbraw/zinc/61/91/91/664619191.db2.gz ICAQWTRHANOYHE-GRYCIOLGSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001039329593 664619193 /nfs/dbraw/zinc/61/91/93/664619193.db2.gz ICAQWTRHANOYHE-GRYCIOLGSA-N 1 1 319.369 -1.373 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001039202205 664619249 /nfs/dbraw/zinc/61/92/49/664619249.db2.gz IWUFJQPDDCMOCF-NWDGAFQWSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001039388034 664619429 /nfs/dbraw/zinc/61/94/29/664619429.db2.gz WVOLSVDIDSJGHG-UTLUCORTSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001039388034 664619430 /nfs/dbraw/zinc/61/94/30/664619430.db2.gz WVOLSVDIDSJGHG-UTLUCORTSA-N 1 1 323.353 -1.865 20 0 DAADMO O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCNC1=O)CC2 ZINC001039374419 664619457 /nfs/dbraw/zinc/61/94/57/664619457.db2.gz UZAYYGOHDORKHU-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCNC1=O)CC2 ZINC001039374419 664619458 /nfs/dbraw/zinc/61/94/58/664619458.db2.gz UZAYYGOHDORKHU-WOPDTQHZSA-N 1 1 319.369 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O ZINC001039386054 664619468 /nfs/dbraw/zinc/61/94/68/664619468.db2.gz VPAUIHZGAJQRLS-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O ZINC001039386054 664619470 /nfs/dbraw/zinc/61/94/70/664619470.db2.gz VPAUIHZGAJQRLS-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C1=COCCO1 ZINC001083322511 677689312 /nfs/dbraw/zinc/68/93/12/677689312.db2.gz LXRZNASVDFROGE-NEPJUHHUSA-N 1 1 308.338 -1.067 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)C1=COCCO1 ZINC001083322511 677689313 /nfs/dbraw/zinc/68/93/13/677689313.db2.gz LXRZNASVDFROGE-NEPJUHHUSA-N 1 1 308.338 -1.067 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083331352 677690587 /nfs/dbraw/zinc/69/05/87/677690587.db2.gz DNBKZSRJSNRCAE-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083417070 677697594 /nfs/dbraw/zinc/69/75/94/677697594.db2.gz CMJGWJAPOPNWNA-UPJWGTAASA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083417070 677697595 /nfs/dbraw/zinc/69/75/95/677697595.db2.gz CMJGWJAPOPNWNA-UPJWGTAASA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083417638 677697721 /nfs/dbraw/zinc/69/77/21/677697721.db2.gz XMKRPYCPHAEQRX-RDBSUJKOSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083417638 677697722 /nfs/dbraw/zinc/69/77/22/677697722.db2.gz XMKRPYCPHAEQRX-RDBSUJKOSA-N 1 1 323.397 -1.625 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)O1 ZINC001075943513 677721244 /nfs/dbraw/zinc/72/12/44/677721244.db2.gz UOJBYKRLAIEXPD-YVECIDJPSA-N 1 1 310.398 -1.277 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)O1 ZINC001075943513 677721247 /nfs/dbraw/zinc/72/12/47/677721247.db2.gz UOJBYKRLAIEXPD-YVECIDJPSA-N 1 1 310.398 -1.277 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)n1 ZINC001083473499 677724347 /nfs/dbraw/zinc/72/43/47/677724347.db2.gz FZPYQUNMEWEDOZ-BDAKNGLRSA-N 1 1 314.321 -2.102 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@@H]2O)CC[N@H+]1C ZINC001083472677 677724358 /nfs/dbraw/zinc/72/43/58/677724358.db2.gz LBXYXIKVZNNKCG-KKOKHZNYSA-N 1 1 323.401 -1.788 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001083473630 677724398 /nfs/dbraw/zinc/72/43/98/677724398.db2.gz MHFOSYDSAYMQOO-BDAKNGLRSA-N 1 1 312.330 -3.079 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083491892 677725934 /nfs/dbraw/zinc/72/59/34/677725934.db2.gz BKFMYDLXRZHELH-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083491892 677725937 /nfs/dbraw/zinc/72/59/37/677725937.db2.gz BKFMYDLXRZHELH-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076902314 677767353 /nfs/dbraw/zinc/76/73/53/677767353.db2.gz SFKDIXWJHGNLJG-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076903166 677767385 /nfs/dbraw/zinc/76/73/85/677767385.db2.gz JEIBTTPKBZRXON-CHWSQXEVSA-N 1 1 324.385 -2.228 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076903166 677767387 /nfs/dbraw/zinc/76/73/87/677767387.db2.gz JEIBTTPKBZRXON-CHWSQXEVSA-N 1 1 324.385 -2.228 20 0 DAADMO Cn1ncc2c1C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC000913182203 677822636 /nfs/dbraw/zinc/82/26/36/677822636.db2.gz VOALXTXLDMERAV-NHYWBVRUSA-N 1 1 308.382 -1.008 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)co1 ZINC001077251635 677793647 /nfs/dbraw/zinc/79/36/47/677793647.db2.gz JAIDHFAGTGBYLC-RKDXNWHRSA-N 1 1 319.339 -2.306 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)co1 ZINC001077251635 677793651 /nfs/dbraw/zinc/79/36/51/677793651.db2.gz JAIDHFAGTGBYLC-RKDXNWHRSA-N 1 1 319.339 -2.306 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077255985 677793887 /nfs/dbraw/zinc/79/38/87/677793887.db2.gz WTMWOXJCEMGWSW-DGCLKSJQSA-N 1 1 312.370 -1.276 20 0 DAADMO O=C(CN1CCN(C2CC2)C1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179739 677822719 /nfs/dbraw/zinc/82/27/19/677822719.db2.gz QXJRIVZNVAHMBE-CQSZACIVSA-N 1 1 312.370 -1.647 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077338483 677799949 /nfs/dbraw/zinc/79/99/49/677799949.db2.gz PFQPHZVGTZICNJ-HBNTYKKESA-N 1 1 300.359 -2.069 20 0 DAADMO NC(=O)COc1ccccc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077346749 677800526 /nfs/dbraw/zinc/80/05/26/677800526.db2.gz OLGBQSBTMQDXKB-VXGBXAGGSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077346749 677800530 /nfs/dbraw/zinc/80/05/30/677800530.db2.gz OLGBQSBTMQDXKB-VXGBXAGGSA-N 1 1 323.349 -1.682 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083573638 677800629 /nfs/dbraw/zinc/80/06/29/677800629.db2.gz PVUXFEBVSALSHT-MCIONIFRSA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC001083573294 677800643 /nfs/dbraw/zinc/80/06/43/677800643.db2.gz DXZYHBDRGUEBFU-RDBSUJKOSA-N 1 1 322.413 -1.039 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001077333487 677800735 /nfs/dbraw/zinc/80/07/35/677800735.db2.gz LQOULRWRYXUSES-IJLUTSLNSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001077333487 677800739 /nfs/dbraw/zinc/80/07/39/677800739.db2.gz LQOULRWRYXUSES-IJLUTSLNSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083573639 677800766 /nfs/dbraw/zinc/80/07/66/677800766.db2.gz PVUXFEBVSALSHT-RDBSUJKOSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000912508783 677818574 /nfs/dbraw/zinc/81/85/74/677818574.db2.gz YNDWGKRGGRCDLL-NQBHXWOUSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CNC(=O)C1 ZINC001083665143 677820667 /nfs/dbraw/zinc/82/06/67/677820667.db2.gz QYMFVAZXBCSUMJ-UHIISALHSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CNC(=O)C1 ZINC001083665143 677820670 /nfs/dbraw/zinc/82/06/70/677820670.db2.gz QYMFVAZXBCSUMJ-UHIISALHSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001040751839 677846730 /nfs/dbraw/zinc/84/67/30/677846730.db2.gz FXRIBPVOCVFIAN-RULNRJAQSA-N 1 1 312.370 -2.109 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193562 677918200 /nfs/dbraw/zinc/91/82/00/677918200.db2.gz WNMDHPQJDJBQII-HBNTYKKESA-N 1 1 305.400 -1.361 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001078184501 677918210 /nfs/dbraw/zinc/91/82/10/677918210.db2.gz FWMOGYLBMVTJBT-OASPWFOLSA-N 1 1 322.365 -1.075 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001061766858 677964061 /nfs/dbraw/zinc/96/40/61/677964061.db2.gz SRKQZWLDLXVKJI-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001061766858 677964064 /nfs/dbraw/zinc/96/40/64/677964064.db2.gz SRKQZWLDLXVKJI-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001044302649 677945395 /nfs/dbraw/zinc/94/53/95/677945395.db2.gz MDZFUHRXDATQES-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193547 677918112 /nfs/dbraw/zinc/91/81/12/677918112.db2.gz WDQIJWDNOLNIQD-IVZWLZJFSA-N 1 1 309.363 -1.801 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC001063306133 677987234 /nfs/dbraw/zinc/98/72/34/677987234.db2.gz ULPNCAAMJPNNJC-MNOVXSKESA-N 1 1 324.381 -1.510 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064999109 678010219 /nfs/dbraw/zinc/01/02/19/678010219.db2.gz RAOGHFSINAIGJH-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O ZINC001080756161 678040879 /nfs/dbraw/zinc/04/08/79/678040879.db2.gz KSXTVGTYTNJJEY-GMTAPVOTSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O ZINC001080756161 678040880 /nfs/dbraw/zinc/04/08/80/678040880.db2.gz KSXTVGTYTNJJEY-GMTAPVOTSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079772820 678026465 /nfs/dbraw/zinc/02/64/65/678026465.db2.gz JMRGPVACGKRIEA-UTUOFQBUSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079772819 678026588 /nfs/dbraw/zinc/02/65/88/678026588.db2.gz JMRGPVACGKRIEA-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061492 678030623 /nfs/dbraw/zinc/03/06/23/678030623.db2.gz WNHPJNLCKBIYGQ-GMTAPVOTSA-N 1 1 310.354 -1.234 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1)OC ZINC001081334349 678066102 /nfs/dbraw/zinc/06/61/02/678066102.db2.gz OFRZIEUJDNKUJU-QJPTWQEYSA-N 1 1 312.374 -1.087 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081370684 678071346 /nfs/dbraw/zinc/07/13/46/678071346.db2.gz DRYOBMFBPHUTMA-WDEREUQCSA-N 1 1 314.386 -1.863 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001081481364 678078546 /nfs/dbraw/zinc/07/85/46/678078546.db2.gz FQIGHUVTYMIOAR-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](OC)C1 ZINC001081481425 678078717 /nfs/dbraw/zinc/07/87/17/678078717.db2.gz IFTRFKGNNSOQLW-JHJVBQTASA-N 1 1 301.387 -1.221 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081501578 678080967 /nfs/dbraw/zinc/08/09/67/678080967.db2.gz BKZHRVJYTUXDAV-ZJUUUORDSA-N 1 1 309.326 -2.388 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589684 678086824 /nfs/dbraw/zinc/08/68/24/678086824.db2.gz HQKSXBZBUVEUEU-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081589687 678086884 /nfs/dbraw/zinc/08/68/84/678086884.db2.gz HQKSXBZBUVEUEU-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589686 678086912 /nfs/dbraw/zinc/08/69/12/678086912.db2.gz HQKSXBZBUVEUEU-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cc(C2CC2)nn1 ZINC001081792944 678105333 /nfs/dbraw/zinc/10/53/33/678105333.db2.gz KWVNLVNOOVRAGU-CHWSQXEVSA-N 1 1 309.370 -1.037 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001081768485 678105661 /nfs/dbraw/zinc/10/56/61/678105661.db2.gz UALAQIARHXFGEH-GHMZBOCLSA-N 1 1 321.399 -2.170 20 0 DAADMO CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082090027 678111350 /nfs/dbraw/zinc/11/13/50/678111350.db2.gz BXLDESMBVFVTIM-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)C(N)=O ZINC001082090027 678111353 /nfs/dbraw/zinc/11/13/53/678111353.db2.gz BXLDESMBVFVTIM-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135312 678111412 /nfs/dbraw/zinc/11/14/12/678111412.db2.gz YEDJWBKLYVFILM-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](OC)C1 ZINC001082119537 678111422 /nfs/dbraw/zinc/11/14/22/678111422.db2.gz KNYHMSWUKQQSQQ-RKDXNWHRSA-N 1 1 317.371 -1.494 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001082090095 678111454 /nfs/dbraw/zinc/11/14/54/678111454.db2.gz GKNKGQUBCSOUBM-HBNTYKKESA-N 1 1 311.342 -2.455 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001082090095 678111455 /nfs/dbraw/zinc/11/14/55/678111455.db2.gz GKNKGQUBCSOUBM-HBNTYKKESA-N 1 1 311.342 -2.455 20 0 DAADMO CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368687 678116454 /nfs/dbraw/zinc/11/64/54/678116454.db2.gz KSPKCMJMPOOOES-JHJVBQTASA-N 1 1 312.414 -1.158 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001082374587 678116479 /nfs/dbraw/zinc/11/64/79/678116479.db2.gz JDDPTEDAEBKWGX-GMTAPVOTSA-N 1 1 321.399 -1.860 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3nnc(C)[nH]3)C2)C1 ZINC001072710766 678162909 /nfs/dbraw/zinc/16/29/09/678162909.db2.gz PTTHXGHMUDQLKB-UHFFFAOYSA-N 1 1 306.370 -1.064 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3nnc(C)[nH]3)C2)C1 ZINC001072710766 678162910 /nfs/dbraw/zinc/16/29/10/678162910.db2.gz PTTHXGHMUDQLKB-UHFFFAOYSA-N 1 1 306.370 -1.064 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001072736098 678162950 /nfs/dbraw/zinc/16/29/50/678162950.db2.gz BIKIBXAYIXZOMW-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001074600260 678198397 /nfs/dbraw/zinc/19/83/97/678198397.db2.gz FLARVMRUHNBTEC-AXFHLTTASA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075247888 678210133 /nfs/dbraw/zinc/21/01/33/678210133.db2.gz WHLUPIPSDZRCRL-UWVGGRQHSA-N 1 1 309.374 -1.340 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075247887 678210202 /nfs/dbraw/zinc/21/02/02/678210202.db2.gz WHLUPIPSDZRCRL-NXEZZACHSA-N 1 1 309.374 -1.340 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccncn2)C1 ZINC001058503695 677680916 /nfs/dbraw/zinc/68/09/16/677680916.db2.gz SAMOCNFKIRWNGN-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969615378 677681247 /nfs/dbraw/zinc/68/12/47/677681247.db2.gz BBSBZTNZQNAJHN-WCBMZHEXSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H](NC(=O)c1cnnn1C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969601318 677681261 /nfs/dbraw/zinc/68/12/61/677681261.db2.gz HYMBGZJUKCGSRI-SCZZXKLOSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000969615370 677681330 /nfs/dbraw/zinc/68/13/30/677681330.db2.gz AZZJOUVOTQCSOP-KWQFWETISA-N 1 1 320.353 -1.330 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CCF)C2)n1 ZINC000969624491 677681410 /nfs/dbraw/zinc/68/14/10/677681410.db2.gz AICYBGVDGMSVHD-SECBINFHSA-N 1 1 323.336 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2ncccn2)C1 ZINC001058524700 677681491 /nfs/dbraw/zinc/68/14/91/677681491.db2.gz VTGXRSZTAPIQMT-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041538612 677681493 /nfs/dbraw/zinc/68/14/93/677681493.db2.gz AFRVJSSIGWYYJC-HNNXBMFYSA-N 1 1 310.398 -1.665 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cccnn2)C1 ZINC001058529398 677681547 /nfs/dbraw/zinc/68/15/47/677681547.db2.gz FROKQQANHSLIKK-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1O ZINC000970196471 677681894 /nfs/dbraw/zinc/68/18/94/677681894.db2.gz VFLAYEKLEHCQMH-ZJUUUORDSA-N 1 1 314.342 -3.118 20 0 DAADMO O=C(c1ccnnc1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083203796 677681998 /nfs/dbraw/zinc/68/19/98/677681998.db2.gz HUPIUOBWPJIHCA-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ccnnc1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083203796 677681999 /nfs/dbraw/zinc/68/19/99/677681999.db2.gz HUPIUOBWPJIHCA-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 ZINC001083209056 677682138 /nfs/dbraw/zinc/68/21/38/677682138.db2.gz OJDTYBXLDMZCJE-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001022015682 677682440 /nfs/dbraw/zinc/68/24/40/677682440.db2.gz RLQTUBKIMQSKEW-KPXOXKRLSA-N 1 1 321.385 -1.014 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971544709 677682566 /nfs/dbraw/zinc/68/25/66/677682566.db2.gz DUILCFFNELVEJW-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971540061 677682606 /nfs/dbraw/zinc/68/26/06/677682606.db2.gz BSZWYTHGBRESSF-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971544862 677682624 /nfs/dbraw/zinc/68/26/24/677682624.db2.gz FKXTXETYHXNLIY-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 ZINC001083221156 677682698 /nfs/dbraw/zinc/68/26/98/677682698.db2.gz NOMSODYSGYSLDJ-QJPTWQEYSA-N 1 1 317.411 -1.048 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@H]2C1 ZINC001083221156 677682699 /nfs/dbraw/zinc/68/26/99/677682699.db2.gz NOMSODYSGYSLDJ-QJPTWQEYSA-N 1 1 317.411 -1.048 20 0 DAADMO O=C(c1ncn[n-]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083226991 677682900 /nfs/dbraw/zinc/68/29/00/677682900.db2.gz GQIMOZZJGWBEBO-OUAUKWLOSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083243933 677683191 /nfs/dbraw/zinc/68/31/91/677683191.db2.gz AYLLHEVJROULRN-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083243933 677683192 /nfs/dbraw/zinc/68/31/92/677683192.db2.gz AYLLHEVJROULRN-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041987138 677683281 /nfs/dbraw/zinc/68/32/81/677683281.db2.gz XKSDIEXAUJCBHY-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041987138 677683282 /nfs/dbraw/zinc/68/32/82/677683282.db2.gz XKSDIEXAUJCBHY-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001067462189 677683636 /nfs/dbraw/zinc/68/36/36/677683636.db2.gz DENCWHUVUKHDNY-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083266859 677683960 /nfs/dbraw/zinc/68/39/60/677683960.db2.gz URTMVDSNKRPCRL-SDDRHHMPSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083266859 677683961 /nfs/dbraw/zinc/68/39/61/677683961.db2.gz URTMVDSNKRPCRL-SDDRHHMPSA-N 1 1 320.353 -1.922 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083274774 677684345 /nfs/dbraw/zinc/68/43/45/677684345.db2.gz ZCMWNMYCEGXFNF-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083274774 677684346 /nfs/dbraw/zinc/68/43/46/677684346.db2.gz ZCMWNMYCEGXFNF-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083278340 677684520 /nfs/dbraw/zinc/68/45/20/677684520.db2.gz UFFVFTPHKMAFGS-OUAUKWLOSA-N 1 1 319.383 -2.418 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083278340 677684521 /nfs/dbraw/zinc/68/45/21/677684521.db2.gz UFFVFTPHKMAFGS-OUAUKWLOSA-N 1 1 319.383 -2.418 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083279172 677684574 /nfs/dbraw/zinc/68/45/74/677684574.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 1 1 313.398 -1.389 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083279172 677684575 /nfs/dbraw/zinc/68/45/75/677684575.db2.gz MWRQKVSPYATIPK-MJBXVCDLSA-N 1 1 313.398 -1.389 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641575 677685381 /nfs/dbraw/zinc/68/53/81/677685381.db2.gz GBMSPJHBPCTFSE-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058641575 677685382 /nfs/dbraw/zinc/68/53/82/677685382.db2.gz GBMSPJHBPCTFSE-JTQLQIEISA-N 1 1 316.358 -2.871 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643667 677685642 /nfs/dbraw/zinc/68/56/42/677685642.db2.gz ZJKLLLNHJXHSNS-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058645141 677685734 /nfs/dbraw/zinc/68/57/34/677685734.db2.gz XIRUVHASZBCNOX-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646719 677685962 /nfs/dbraw/zinc/68/59/62/677685962.db2.gz VUTYAHLDAMMNCN-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646724 677686016 /nfs/dbraw/zinc/68/60/16/677686016.db2.gz VYAYTYBANPEVSO-ZJUUUORDSA-N 1 1 300.359 -2.394 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646723 677686028 /nfs/dbraw/zinc/68/60/28/677686028.db2.gz VYAYTYBANPEVSO-VHSXEESVSA-N 1 1 300.359 -2.394 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058647999 677686059 /nfs/dbraw/zinc/68/60/59/677686059.db2.gz LDWPFHCDVALXOH-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001075532939 677686309 /nfs/dbraw/zinc/68/63/09/677686309.db2.gz VPZYATFWMWKLEO-SDDRHHMPSA-N 1 1 319.369 -1.564 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075531334 677686327 /nfs/dbraw/zinc/68/63/27/677686327.db2.gz GQPMVIJLSADOTR-GARJFASQSA-N 1 1 305.342 -1.906 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075532682 677686346 /nfs/dbraw/zinc/68/63/46/677686346.db2.gz MJMOBVJLYNJVJF-HBNTYKKESA-N 1 1 307.358 -1.530 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n(C)c1=O ZINC001083286343 677686603 /nfs/dbraw/zinc/68/66/03/677686603.db2.gz FMKWQJWRNMCUST-CMPLNLGQSA-N 1 1 310.354 -1.759 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n(C)c1=O ZINC001083286343 677686604 /nfs/dbraw/zinc/68/66/04/677686604.db2.gz FMKWQJWRNMCUST-CMPLNLGQSA-N 1 1 310.354 -1.759 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)nc1 ZINC001083290201 677686628 /nfs/dbraw/zinc/68/66/28/677686628.db2.gz MLFYCEFYECVWKJ-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)nc1 ZINC001083290201 677686629 /nfs/dbraw/zinc/68/66/29/677686629.db2.gz MLFYCEFYECVWKJ-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001075542274 677686635 /nfs/dbraw/zinc/68/66/35/677686635.db2.gz GQJUHGHVBSNEHI-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001075542274 677686636 /nfs/dbraw/zinc/68/66/36/677686636.db2.gz GQJUHGHVBSNEHI-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083291041 677686662 /nfs/dbraw/zinc/68/66/62/677686662.db2.gz KZJIGYOYELCJFL-RWMBFGLXSA-N 1 1 319.365 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCCC1 ZINC001083301750 677687223 /nfs/dbraw/zinc/68/72/23/677687223.db2.gz YLFGABGJEFOLJJ-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCCC1 ZINC001083301750 677687224 /nfs/dbraw/zinc/68/72/24/677687224.db2.gz YLFGABGJEFOLJJ-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083300360 677687251 /nfs/dbraw/zinc/68/72/51/677687251.db2.gz LJZYZFJMOYTXTP-MNOVXSKESA-N 1 1 324.381 -1.112 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)C1=O ZINC001083300360 677687252 /nfs/dbraw/zinc/68/72/52/677687252.db2.gz LJZYZFJMOYTXTP-MNOVXSKESA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001083303281 677687254 /nfs/dbraw/zinc/68/72/54/677687254.db2.gz SUVWAIRHCWYYTN-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC001083303281 677687255 /nfs/dbraw/zinc/68/72/55/677687255.db2.gz SUVWAIRHCWYYTN-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3CCNC3=O)CC2)n1 ZINC001026539780 677687295 /nfs/dbraw/zinc/68/72/95/677687295.db2.gz ICCQQGFJSLPVAO-ILDUYXDCSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083305150 677687407 /nfs/dbraw/zinc/68/74/07/677687407.db2.gz ZODSFFSKGHUQBE-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083305150 677687408 /nfs/dbraw/zinc/68/74/08/677687408.db2.gz ZODSFFSKGHUQBE-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000729284746 677692587 /nfs/dbraw/zinc/69/25/87/677692587.db2.gz KMYKYCHNAKFLIH-NSHDSACASA-N 1 1 305.400 -1.284 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CC(=O)NC ZINC001058817694 677688017 /nfs/dbraw/zinc/68/80/17/677688017.db2.gz PLXJHYZSCRZFAC-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058845827 677688230 /nfs/dbraw/zinc/68/82/30/677688230.db2.gz XIZUARWYYNSYEK-LLVKDONJSA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058845750 677688259 /nfs/dbraw/zinc/68/82/59/677688259.db2.gz VVHRFOAWUIEXAG-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058845750 677688260 /nfs/dbraw/zinc/68/82/60/677688260.db2.gz VVHRFOAWUIEXAG-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058845750 677688261 /nfs/dbraw/zinc/68/82/61/677688261.db2.gz VVHRFOAWUIEXAG-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001058845306 677688265 /nfs/dbraw/zinc/68/82/65/677688265.db2.gz KRYPVHSGCMWNEG-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058845306 677688266 /nfs/dbraw/zinc/68/82/66/677688266.db2.gz KRYPVHSGCMWNEG-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058845306 677688267 /nfs/dbraw/zinc/68/82/67/677688267.db2.gz KRYPVHSGCMWNEG-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058845306 677688268 /nfs/dbraw/zinc/68/82/68/677688268.db2.gz KRYPVHSGCMWNEG-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058845306 677688269 /nfs/dbraw/zinc/68/82/69/677688269.db2.gz KRYPVHSGCMWNEG-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2cncn2)C1 ZINC001058885019 677688766 /nfs/dbraw/zinc/68/87/66/677688766.db2.gz AJXNFPHYWNFGAN-LBPRGKRZSA-N 1 1 324.385 -1.833 20 0 DAADMO C[NH+](C)CCC(=O)NCCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001058891032 677689047 /nfs/dbraw/zinc/68/90/47/677689047.db2.gz SFEZSIQATBEGQX-UHFFFAOYSA-N 1 1 312.374 -1.764 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083325172 677689629 /nfs/dbraw/zinc/68/96/29/677689629.db2.gz XKWJYZPKYYMLHW-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083325172 677689630 /nfs/dbraw/zinc/68/96/30/677689630.db2.gz XKWJYZPKYYMLHW-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643962 677690077 /nfs/dbraw/zinc/69/00/77/677690077.db2.gz QVIKZLRTBBCFMD-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643962 677690078 /nfs/dbraw/zinc/69/00/78/677690078.db2.gz QVIKZLRTBBCFMD-YNEHKIRRSA-N 1 1 310.398 -1.404 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001083329299 677690088 /nfs/dbraw/zinc/69/00/88/677690088.db2.gz CHTQNANRCPTOTB-XQQFMLRXSA-N 1 1 324.385 -1.349 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)nn1 ZINC001028518619 677690121 /nfs/dbraw/zinc/69/01/21/677690121.db2.gz WHORDIDLWATJPH-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)nn1 ZINC001028518619 677690122 /nfs/dbraw/zinc/69/01/22/677690122.db2.gz WHORDIDLWATJPH-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001028518487 677690234 /nfs/dbraw/zinc/69/02/34/677690234.db2.gz CAXNHTDPENKMNA-MWLCHTKSSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)nn1 ZINC001028518487 677690235 /nfs/dbraw/zinc/69/02/35/677690235.db2.gz CAXNHTDPENKMNA-MWLCHTKSSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001028518053 677690238 /nfs/dbraw/zinc/69/02/38/677690238.db2.gz NRHGIVRUZUDVQZ-GXSJLCMTSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083329753 677690306 /nfs/dbraw/zinc/69/03/06/677690306.db2.gz UGZDEJYTKAMMFZ-TUAOUCFPSA-N 1 1 310.358 -1.597 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028521883 677690324 /nfs/dbraw/zinc/69/03/24/677690324.db2.gz NADVWNGNCLKOOO-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)n1 ZINC001028521883 677690325 /nfs/dbraw/zinc/69/03/25/677690325.db2.gz NADVWNGNCLKOOO-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001028519904 677690345 /nfs/dbraw/zinc/69/03/45/677690345.db2.gz VZAKLTOWJXQOBB-KOLCDFICSA-N 1 1 310.354 -1.189 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028522755 677690386 /nfs/dbraw/zinc/69/03/86/677690386.db2.gz ZYCZTORKRZSWEQ-UWVGGRQHSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028522380 677690423 /nfs/dbraw/zinc/69/04/23/677690423.db2.gz RDHGFPMJYOULAO-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028522380 677690424 /nfs/dbraw/zinc/69/04/24/677690424.db2.gz RDHGFPMJYOULAO-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083331674 677690713 /nfs/dbraw/zinc/69/07/13/677690713.db2.gz TVTYGRGDRYPJDW-UPJWGTAASA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)n1cccn1 ZINC001083346992 677690999 /nfs/dbraw/zinc/69/09/99/677690999.db2.gz JHUCHIRPGZHBFA-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)n1cccn1 ZINC001083346992 677691000 /nfs/dbraw/zinc/69/10/00/677691000.db2.gz JHUCHIRPGZHBFA-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cn[nH]c1 ZINC001083351571 677691166 /nfs/dbraw/zinc/69/11/66/677691166.db2.gz HLQAFYVNVCPRJB-XQQFMLRXSA-N 1 1 320.353 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083349330 677691248 /nfs/dbraw/zinc/69/12/48/677691248.db2.gz WYRRGYMXFWUONZ-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083349330 677691249 /nfs/dbraw/zinc/69/12/49/677691249.db2.gz WYRRGYMXFWUONZ-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1ccon1 ZINC001083354043 677691376 /nfs/dbraw/zinc/69/13/76/677691376.db2.gz HHDPOSHITNKQGU-RTXFEEFZSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1ccon1 ZINC001083354043 677691377 /nfs/dbraw/zinc/69/13/77/677691377.db2.gz HHDPOSHITNKQGU-RTXFEEFZSA-N 1 1 321.337 -1.293 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)nn1C ZINC001083358622 677691449 /nfs/dbraw/zinc/69/14/49/677691449.db2.gz RYFGWXQOPRIUIF-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1C ZINC001083358622 677691450 /nfs/dbraw/zinc/69/14/50/677691450.db2.gz RYFGWXQOPRIUIF-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)[nH]n1 ZINC001083357546 677691547 /nfs/dbraw/zinc/69/15/47/677691547.db2.gz SXQVSPYYPOECJH-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)[nH]n1 ZINC001083357546 677691548 /nfs/dbraw/zinc/69/15/48/677691548.db2.gz SXQVSPYYPOECJH-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083368760 677691939 /nfs/dbraw/zinc/69/19/39/677691939.db2.gz WCQHYVNQSQOLQX-VWYCJHECSA-N 1 1 309.374 -2.034 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083368622 677692011 /nfs/dbraw/zinc/69/20/11/677692011.db2.gz RRBXAXYWARYQHX-UPJWGTAASA-N 1 1 310.398 -1.526 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O ZINC001083368438 677692017 /nfs/dbraw/zinc/69/20/17/677692017.db2.gz NDPHEVOXYAMDEF-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)nc1=O ZINC001083368642 677692029 /nfs/dbraw/zinc/69/20/29/677692029.db2.gz SGLWJXFHVVBQCT-VWYCJHECSA-N 1 1 324.385 -2.136 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)[nH]1 ZINC001083373171 677692045 /nfs/dbraw/zinc/69/20/45/677692045.db2.gz UWCAONMKOIRQEQ-WOPDTQHZSA-N 1 1 308.386 -1.131 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371714 677692067 /nfs/dbraw/zinc/69/20/67/677692067.db2.gz GJNIBFUZWJENLC-UTUOFQBUSA-N 1 1 307.354 -1.677 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371714 677692068 /nfs/dbraw/zinc/69/20/68/677692068.db2.gz GJNIBFUZWJENLC-UTUOFQBUSA-N 1 1 307.354 -1.677 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)[nH]1 ZINC001083373170 677692148 /nfs/dbraw/zinc/69/21/48/677692148.db2.gz UWCAONMKOIRQEQ-UTUOFQBUSA-N 1 1 308.386 -1.131 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083372953 677692191 /nfs/dbraw/zinc/69/21/91/677692191.db2.gz MGEPFWXFJNFQOR-UPJWGTAASA-N 1 1 308.386 -1.466 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)[C@@H](O)C2)cn1 ZINC001083371787 677692212 /nfs/dbraw/zinc/69/22/12/677692212.db2.gz KBCLORLKOMLXKM-UPJWGTAASA-N 1 1 321.381 -1.598 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)no1 ZINC001083375211 677692308 /nfs/dbraw/zinc/69/23/08/677692308.db2.gz MIANBMVBGJAVQK-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)no1 ZINC001083375211 677692309 /nfs/dbraw/zinc/69/23/09/677692309.db2.gz MIANBMVBGJAVQK-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001083385530 677692887 /nfs/dbraw/zinc/69/28/87/677692887.db2.gz QSKBBDHAHQXMBQ-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)nn1 ZINC001083385530 677692888 /nfs/dbraw/zinc/69/28/88/677692888.db2.gz QSKBBDHAHQXMBQ-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nccc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385194 677692956 /nfs/dbraw/zinc/69/29/56/677692956.db2.gz GFYWYMCPWCHKJG-RDBSUJKOSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1nccc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385194 677692958 /nfs/dbraw/zinc/69/29/58/677692958.db2.gz GFYWYMCPWCHKJG-RDBSUJKOSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccnc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385360 677692999 /nfs/dbraw/zinc/69/29/99/677692999.db2.gz LUGHAVOOPJUMME-FRRDWIJNSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccnc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385360 677693001 /nfs/dbraw/zinc/69/30/01/677693001.db2.gz LUGHAVOOPJUMME-FRRDWIJNSA-N 1 1 323.397 -1.588 20 0 DAADMO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083386704 677693074 /nfs/dbraw/zinc/69/30/74/677693074.db2.gz RQPTUOWBMXKVHT-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CC1CCC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083386704 677693075 /nfs/dbraw/zinc/69/30/75/677693075.db2.gz RQPTUOWBMXKVHT-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO Cn1ccc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385657 677693134 /nfs/dbraw/zinc/69/31/34/677693134.db2.gz UWJOGIUQJBGEDJ-HZSPNIEDSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385657 677693135 /nfs/dbraw/zinc/69/31/35/677693135.db2.gz UWJOGIUQJBGEDJ-HZSPNIEDSA-N 1 1 323.397 -1.588 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028728503 677693838 /nfs/dbraw/zinc/69/38/38/677693838.db2.gz UJTNCCHUHIMFDX-VHSXEESVSA-N 1 1 320.353 -1.030 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028728501 677693851 /nfs/dbraw/zinc/69/38/51/677693851.db2.gz UJTNCCHUHIMFDX-NXEZZACHSA-N 1 1 320.353 -1.030 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3COCCO3)C2)n1 ZINC000983213606 677693869 /nfs/dbraw/zinc/69/38/69/677693869.db2.gz BWGSRBMCZPEROB-GMTAPVOTSA-N 1 1 310.358 -1.390 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028728504 677693879 /nfs/dbraw/zinc/69/38/79/677693879.db2.gz UJTNCCHUHIMFDX-ZJUUUORDSA-N 1 1 320.353 -1.030 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001028735851 677693989 /nfs/dbraw/zinc/69/39/89/677693989.db2.gz SGJQRBNVYVJVDL-JQWIXIFHSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001028735851 677693991 /nfs/dbraw/zinc/69/39/91/677693991.db2.gz SGJQRBNVYVJVDL-JQWIXIFHSA-N 1 1 306.370 -1.111 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001075707174 677694201 /nfs/dbraw/zinc/69/42/01/677694201.db2.gz PZUUXVDKXLGGOZ-MJBXVCDLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001075707174 677694202 /nfs/dbraw/zinc/69/42/02/677694202.db2.gz PZUUXVDKXLGGOZ-MJBXVCDLSA-N 1 1 324.425 -1.062 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075709043 677694283 /nfs/dbraw/zinc/69/42/83/677694283.db2.gz ZQUATRBODCXXEE-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710606 677694336 /nfs/dbraw/zinc/69/43/36/677694336.db2.gz BXEQHYVXXXKIQE-LPEHRKFASA-N 1 1 308.342 -1.610 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710606 677694338 /nfs/dbraw/zinc/69/43/38/677694338.db2.gz BXEQHYVXXXKIQE-LPEHRKFASA-N 1 1 308.342 -1.610 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075751690 677694685 /nfs/dbraw/zinc/69/46/85/677694685.db2.gz RWLLVWWOAFQJIM-HOSYDEDBSA-N 1 1 304.354 -1.150 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001075751461 677694706 /nfs/dbraw/zinc/69/47/06/677694706.db2.gz JVQBODNMEHNPHE-SDDRHHMPSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001075751461 677694707 /nfs/dbraw/zinc/69/47/07/677694707.db2.gz JVQBODNMEHNPHE-SDDRHHMPSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075746814 677694714 /nfs/dbraw/zinc/69/47/14/677694714.db2.gz KRAWQYJPMXJNRS-QJPTWQEYSA-N 1 1 320.353 -1.081 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083404136 677694987 /nfs/dbraw/zinc/69/49/87/677694987.db2.gz ZGZDCKYMKNSAOR-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083404136 677694989 /nfs/dbraw/zinc/69/49/89/677694989.db2.gz ZGZDCKYMKNSAOR-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)c1 ZINC001083406466 677695520 /nfs/dbraw/zinc/69/55/20/677695520.db2.gz IEMRLUXZVRIDQW-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)c1 ZINC001083406466 677695523 /nfs/dbraw/zinc/69/55/23/677695523.db2.gz IEMRLUXZVRIDQW-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083407623 677695656 /nfs/dbraw/zinc/69/56/56/677695656.db2.gz XUMZUWOZYIBAKM-UTUOFQBUSA-N 1 1 323.353 -1.607 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083407623 677695657 /nfs/dbraw/zinc/69/56/57/677695657.db2.gz XUMZUWOZYIBAKM-UTUOFQBUSA-N 1 1 323.353 -1.607 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)OC ZINC001083415629 677696482 /nfs/dbraw/zinc/69/64/82/677696482.db2.gz VTYJPCCSZAMKGC-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796962 677696514 /nfs/dbraw/zinc/69/65/14/677696514.db2.gz LMFHTBTXMCVNJB-OUAUKWLOSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796962 677696516 /nfs/dbraw/zinc/69/65/16/677696516.db2.gz LMFHTBTXMCVNJB-OUAUKWLOSA-N 1 1 307.358 -1.660 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083415694 677696848 /nfs/dbraw/zinc/69/68/48/677696848.db2.gz AXLFIVMADWKQDZ-MCIONIFRSA-N 1 1 313.398 -1.484 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)n1cncn1 ZINC001083416685 677697280 /nfs/dbraw/zinc/69/72/80/677697280.db2.gz QXSJLAZGLCEGNL-TUAOUCFPSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)n1cncn1 ZINC001083416685 677697281 /nfs/dbraw/zinc/69/72/81/677697281.db2.gz QXSJLAZGLCEGNL-TUAOUCFPSA-N 1 1 320.357 -1.708 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)n1 ZINC001075811978 677697376 /nfs/dbraw/zinc/69/73/76/677697376.db2.gz OLKCAKKTMOTVFJ-VHSXEESVSA-N 1 1 310.333 -1.121 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)n1 ZINC001075811978 677697379 /nfs/dbraw/zinc/69/73/79/677697379.db2.gz OLKCAKKTMOTVFJ-VHSXEESVSA-N 1 1 310.333 -1.121 20 0 DAADMO C[C@@H](CCNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075818385 677697970 /nfs/dbraw/zinc/69/79/70/677697970.db2.gz OCRSOTYWMALAKF-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083423905 677701305 /nfs/dbraw/zinc/70/13/05/677701305.db2.gz RXSXGCNETZUGGQ-OLZOCXBDSA-N 1 1 324.381 -1.480 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1=CCOCC1 ZINC001083423905 677701309 /nfs/dbraw/zinc/70/13/09/677701309.db2.gz RXSXGCNETZUGGQ-OLZOCXBDSA-N 1 1 324.381 -1.480 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC([N@@H+](C)CCO)CC2)c1=O ZINC000985461817 677702578 /nfs/dbraw/zinc/70/25/78/677702578.db2.gz JBRPGLMLRRNZRH-UHFFFAOYSA-N 1 1 324.381 -1.538 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCNC1=O ZINC001029712457 677702751 /nfs/dbraw/zinc/70/27/51/677702751.db2.gz UDDXCLYTMQJTRW-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001038105211 677705624 /nfs/dbraw/zinc/70/56/24/677705624.db2.gz QJXQVTVWLLBYFI-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001038105211 677705625 /nfs/dbraw/zinc/70/56/25/677705625.db2.gz QJXQVTVWLLBYFI-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888747 677707446 /nfs/dbraw/zinc/70/74/46/677707446.db2.gz ZHSCFMSDHODUDH-WDEREUQCSA-N 1 1 310.354 -2.137 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888747 677707449 /nfs/dbraw/zinc/70/74/49/677707449.db2.gz ZHSCFMSDHODUDH-WDEREUQCSA-N 1 1 310.354 -2.137 20 0 DAADMO C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987329369 677707470 /nfs/dbraw/zinc/70/74/70/677707470.db2.gz NAVCYTRAHLCCFT-WDEREUQCSA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1cnnn1 ZINC000988094160 677708841 /nfs/dbraw/zinc/70/88/41/677708841.db2.gz WSMVGTXTSBVCBQ-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075896071 677708982 /nfs/dbraw/zinc/70/89/82/677708982.db2.gz GVCRHZVIQPETBT-XHNCKOQMSA-N 1 1 309.326 -2.398 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075896071 677708984 /nfs/dbraw/zinc/70/89/84/677708984.db2.gz GVCRHZVIQPETBT-XHNCKOQMSA-N 1 1 309.326 -2.398 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nccnc1N ZINC000988394479 677710040 /nfs/dbraw/zinc/71/00/40/677710040.db2.gz LTTSDVQKGKGUSY-BDAKNGLRSA-N 1 1 317.357 -1.025 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)C1 ZINC000988360535 677710089 /nfs/dbraw/zinc/71/00/89/677710089.db2.gz BARYOWFJWFSMFO-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)C1 ZINC000988360535 677710091 /nfs/dbraw/zinc/71/00/91/677710091.db2.gz BARYOWFJWFSMFO-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)C1 ZINC000988360532 677710100 /nfs/dbraw/zinc/71/01/00/677710100.db2.gz BARYOWFJWFSMFO-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@@H]2C)C1 ZINC000988360532 677710104 /nfs/dbraw/zinc/71/01/04/677710104.db2.gz BARYOWFJWFSMFO-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nccnc1N ZINC000988394487 677710135 /nfs/dbraw/zinc/71/01/35/677710135.db2.gz LTTSDVQKGKGUSY-RKDXNWHRSA-N 1 1 317.357 -1.025 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083429960 677710188 /nfs/dbraw/zinc/71/01/88/677710188.db2.gz XSDNVSIOEDGHLI-KGLIPLIRSA-N 1 1 321.381 -1.477 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1 ZINC001083429960 677710192 /nfs/dbraw/zinc/71/01/92/677710192.db2.gz XSDNVSIOEDGHLI-KGLIPLIRSA-N 1 1 321.381 -1.477 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cnn1 ZINC001083431132 677710999 /nfs/dbraw/zinc/71/09/99/677710999.db2.gz GZJQVLIDZGQHKB-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cnn1 ZINC001083431132 677711003 /nfs/dbraw/zinc/71/10/03/677711003.db2.gz GZJQVLIDZGQHKB-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040205046 677711794 /nfs/dbraw/zinc/71/17/94/677711794.db2.gz NFQDPASTFNGNTF-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CCC(O)CC1 ZINC001083435870 677712253 /nfs/dbraw/zinc/71/22/53/677712253.db2.gz PROVVQYHSHHVKJ-PQAZSJQKSA-N 1 1 323.397 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CCC(O)CC1 ZINC001083435870 677712255 /nfs/dbraw/zinc/71/22/55/677712255.db2.gz PROVVQYHSHHVKJ-PQAZSJQKSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)CC(N)=O ZINC000988438454 677712271 /nfs/dbraw/zinc/71/22/71/677712271.db2.gz ZAEWODDRKCFVAV-BDAKNGLRSA-N 1 1 307.358 -1.038 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)[C@@H](O)C2)cn1 ZINC001083439978 677714282 /nfs/dbraw/zinc/71/42/82/677714282.db2.gz VPFQNXWLXMMHLV-WOPDTQHZSA-N 1 1 323.353 -1.768 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)nn1 ZINC001083442990 677714918 /nfs/dbraw/zinc/71/49/18/677714918.db2.gz ORKKAYLTDKIEDI-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)nn1 ZINC001083442990 677714920 /nfs/dbraw/zinc/71/49/20/677714920.db2.gz ORKKAYLTDKIEDI-YPMHNXCESA-N 1 1 319.369 -1.434 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988720161 677716613 /nfs/dbraw/zinc/71/66/13/677716613.db2.gz QAUCAMNZDMNLBQ-BDAKNGLRSA-N 1 1 321.341 -1.105 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cn(C)nn1 ZINC000988778290 677717180 /nfs/dbraw/zinc/71/71/80/677717180.db2.gz PLGQYDSZTKNEGA-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cn(C)nn1 ZINC000988778295 677717417 /nfs/dbraw/zinc/71/74/17/677717417.db2.gz PLGQYDSZTKNEGA-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083452988 677717967 /nfs/dbraw/zinc/71/79/67/677717967.db2.gz KZBBZJMUVKQHIH-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083452988 677717969 /nfs/dbraw/zinc/71/79/69/677717969.db2.gz KZBBZJMUVKQHIH-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083460504 677718436 /nfs/dbraw/zinc/71/84/36/677718436.db2.gz KVEDOTKJJVAIQY-YUTCNCBUSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083460504 677718440 /nfs/dbraw/zinc/71/84/40/677718440.db2.gz KVEDOTKJJVAIQY-YUTCNCBUSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462275 677719150 /nfs/dbraw/zinc/71/91/50/677719150.db2.gz CJAFIMPBCBIAFT-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462275 677719152 /nfs/dbraw/zinc/71/91/52/677719152.db2.gz CJAFIMPBCBIAFT-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462446 677719268 /nfs/dbraw/zinc/71/92/68/677719268.db2.gz JXOPTBZOLSONSL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462446 677719269 /nfs/dbraw/zinc/71/92/69/677719269.db2.gz JXOPTBZOLSONSL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001083464105 677719998 /nfs/dbraw/zinc/71/99/98/677719998.db2.gz PGONNKQWDDQGBJ-NEPJUHHUSA-N 1 1 320.357 -2.189 20 0 DAADMO CNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720090 /nfs/dbraw/zinc/72/00/90/677720090.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 1 1 324.425 -1.016 20 0 DAADMO CNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938891 677720092 /nfs/dbraw/zinc/72/00/92/677720092.db2.gz NSVGMTWAEYXQLA-XJFOESAGSA-N 1 1 324.425 -1.016 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001083463734 677720272 /nfs/dbraw/zinc/72/02/72/677720272.db2.gz XYAMUSWWCQHNBX-ZJUUUORDSA-N 1 1 313.354 -2.075 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083463931 677720531 /nfs/dbraw/zinc/72/05/31/677720531.db2.gz HPPBXXNHPGCQSF-TUAOUCFPSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083464270 677720642 /nfs/dbraw/zinc/72/06/42/677720642.db2.gz YBGITSOAIBWJLG-TUAOUCFPSA-N 1 1 310.358 -1.739 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464201 677720843 /nfs/dbraw/zinc/72/08/43/677720843.db2.gz UVOAVKBLEVCWOG-NEPJUHHUSA-N 1 1 320.357 -2.189 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075960160 677723043 /nfs/dbraw/zinc/72/30/43/677723043.db2.gz WJNORRHCGMDKEP-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075960160 677723046 /nfs/dbraw/zinc/72/30/46/677723046.db2.gz WJNORRHCGMDKEP-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473509 677724061 /nfs/dbraw/zinc/72/40/61/677724061.db2.gz GIGPGFNIDLDBDZ-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)CC[N@H+]1C ZINC001083472498 677724195 /nfs/dbraw/zinc/72/41/95/677724195.db2.gz AYXCLMKXRJCFJU-LPWJVIDDSA-N 1 1 322.413 -1.183 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001075992618 677724633 /nfs/dbraw/zinc/72/46/33/677724633.db2.gz IXYGNHIYONHOSA-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001075992618 677724637 /nfs/dbraw/zinc/72/46/37/677724637.db2.gz IXYGNHIYONHOSA-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083478125 677724658 /nfs/dbraw/zinc/72/46/58/677724658.db2.gz WGBYDEUJTPBLOH-BBBLOLIVSA-N 1 1 312.374 -1.416 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083478125 677724660 /nfs/dbraw/zinc/72/46/60/677724660.db2.gz WGBYDEUJTPBLOH-BBBLOLIVSA-N 1 1 312.374 -1.416 20 0 DAADMO CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)[nH]n1 ZINC001083477446 677724926 /nfs/dbraw/zinc/72/49/26/677724926.db2.gz PGXLJEIMBZNKIA-MCIONIFRSA-N 1 1 323.397 -1.056 20 0 DAADMO CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)[nH]n1 ZINC001083477446 677724928 /nfs/dbraw/zinc/72/49/28/677724928.db2.gz PGXLJEIMBZNKIA-MCIONIFRSA-N 1 1 323.397 -1.056 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001083486173 677725272 /nfs/dbraw/zinc/72/52/72/677725272.db2.gz LGENQRVTAAQVLP-ZJUUUORDSA-N 1 1 312.374 -1.876 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001083486173 677725274 /nfs/dbraw/zinc/72/52/74/677725274.db2.gz LGENQRVTAAQVLP-ZJUUUORDSA-N 1 1 312.374 -1.876 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cccn2nnnc12 ZINC001083489303 677725717 /nfs/dbraw/zinc/72/57/17/677725717.db2.gz XNQURVJUONHUJQ-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1=O ZINC001083492812 677726445 /nfs/dbraw/zinc/72/64/45/677726445.db2.gz UXPQKDHFNBZDAR-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1=O ZINC001083492812 677726448 /nfs/dbraw/zinc/72/64/48/677726448.db2.gz UXPQKDHFNBZDAR-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083492612 677726457 /nfs/dbraw/zinc/72/64/57/677726457.db2.gz KKLKLOKLAZWRRY-MNOVXSKESA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083492612 677726461 /nfs/dbraw/zinc/72/64/61/677726461.db2.gz KKLKLOKLAZWRRY-MNOVXSKESA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083492503 677726467 /nfs/dbraw/zinc/72/64/67/677726467.db2.gz FIQFFQQXWUGPPC-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1=O ZINC001083503659 677727791 /nfs/dbraw/zinc/72/77/91/677727791.db2.gz YAEXPCXRSRLUEU-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1=O ZINC001083503659 677727795 /nfs/dbraw/zinc/72/77/95/677727795.db2.gz YAEXPCXRSRLUEU-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001076000427 677727910 /nfs/dbraw/zinc/72/79/10/677727910.db2.gz UTQQCPPPHKSIRE-HBNTYKKESA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001076000427 677727915 /nfs/dbraw/zinc/72/79/15/677727915.db2.gz UTQQCPPPHKSIRE-HBNTYKKESA-N 1 1 314.386 -1.408 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1=O ZINC001083503658 677727975 /nfs/dbraw/zinc/72/79/75/677727975.db2.gz YAEXPCXRSRLUEU-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1=O ZINC001083503658 677727976 /nfs/dbraw/zinc/72/79/76/677727976.db2.gz YAEXPCXRSRLUEU-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001083505585 677728427 /nfs/dbraw/zinc/72/84/27/677728427.db2.gz UQSURAWISRYCPE-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506391 677728518 /nfs/dbraw/zinc/72/85/18/677728518.db2.gz FUGCXHKCNNXNFG-MNOVXSKESA-N 1 1 321.399 -2.170 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040315199 677728564 /nfs/dbraw/zinc/72/85/64/677728564.db2.gz DPIUUVSRKPNWPV-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506565 677728728 /nfs/dbraw/zinc/72/87/28/677728728.db2.gz OLBYZJUZVQOVEQ-MXWKQRLJSA-N 1 1 321.399 -2.436 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001083505137 677728802 /nfs/dbraw/zinc/72/88/02/677728802.db2.gz BLNCUCFGGQTFOL-NEPJUHHUSA-N 1 1 322.365 -1.882 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC001083507904 677729363 /nfs/dbraw/zinc/72/93/63/677729363.db2.gz HPDVDEXRZCYOQF-MNOVXSKESA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083520777 677730235 /nfs/dbraw/zinc/73/02/35/677730235.db2.gz AAFRUBZSNPGFSS-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083520777 677730238 /nfs/dbraw/zinc/73/02/38/677730238.db2.gz AAFRUBZSNPGFSS-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083520671 677730436 /nfs/dbraw/zinc/73/04/36/677730436.db2.gz UTPATRHMCKUAOH-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083520778 677730553 /nfs/dbraw/zinc/73/05/53/677730553.db2.gz AAFRUBZSNPGFSS-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083520778 677730557 /nfs/dbraw/zinc/73/05/57/677730557.db2.gz AAFRUBZSNPGFSS-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 ZINC001083529383 677731037 /nfs/dbraw/zinc/73/10/37/677731037.db2.gz MXDCYXFRQFHFGL-NDMJEZRESA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529729 677731241 /nfs/dbraw/zinc/73/12/41/677731241.db2.gz DAOBHPQCHHAQFZ-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083534176 677731527 /nfs/dbraw/zinc/73/15/27/677731527.db2.gz GTXHIKZLWOZUIS-AXFHLTTASA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CNC(=O)c2ccccc21 ZINC001083531582 677731742 /nfs/dbraw/zinc/73/17/42/677731742.db2.gz WHRTYMMHUXMVAB-MJBXVCDLSA-N 1 1 319.361 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CNC(=O)c2ccccc21 ZINC001083531582 677731743 /nfs/dbraw/zinc/73/17/43/677731743.db2.gz WHRTYMMHUXMVAB-MJBXVCDLSA-N 1 1 319.361 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc2c(cn1)OCCO2 ZINC001083532970 677731770 /nfs/dbraw/zinc/73/17/70/677731770.db2.gz RQKITPGPUNVEFZ-MNOVXSKESA-N 1 1 309.322 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c(cn1)OCCO2 ZINC001083532970 677731771 /nfs/dbraw/zinc/73/17/71/677731771.db2.gz RQKITPGPUNVEFZ-MNOVXSKESA-N 1 1 309.322 -1.380 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001076009932 677732240 /nfs/dbraw/zinc/73/22/40/677732240.db2.gz DVJWNCGSTQEAAZ-SDDRHHMPSA-N 1 1 323.397 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001076009932 677732245 /nfs/dbraw/zinc/73/22/45/677732245.db2.gz DVJWNCGSTQEAAZ-SDDRHHMPSA-N 1 1 323.397 -1.205 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001076026969 677732285 /nfs/dbraw/zinc/73/22/85/677732285.db2.gz AZBMPCKOTQAKLR-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001076026969 677732290 /nfs/dbraw/zinc/73/22/90/677732290.db2.gz AZBMPCKOTQAKLR-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001076009931 677732502 /nfs/dbraw/zinc/73/25/02/677732502.db2.gz DVJWNCGSTQEAAZ-QJPTWQEYSA-N 1 1 323.397 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001076009931 677732506 /nfs/dbraw/zinc/73/25/06/677732506.db2.gz DVJWNCGSTQEAAZ-QJPTWQEYSA-N 1 1 323.397 -1.205 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ncc1=O ZINC001076064510 677732685 /nfs/dbraw/zinc/73/26/85/677732685.db2.gz UKTCTYHIMBQKLL-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ncc1=O ZINC001076064510 677732687 /nfs/dbraw/zinc/73/26/87/677732687.db2.gz UKTCTYHIMBQKLL-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001076027569 677733049 /nfs/dbraw/zinc/73/30/49/677733049.db2.gz SHISGLDIGOYSLA-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001076027569 677733051 /nfs/dbraw/zinc/73/30/51/677733051.db2.gz SHISGLDIGOYSLA-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c(c1)NC(=O)CO2 ZINC001083541648 677733356 /nfs/dbraw/zinc/73/33/56/677733356.db2.gz REUISTUNXVIPLE-NEPJUHHUSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(c1)NC(=O)CO2 ZINC001083541648 677733360 /nfs/dbraw/zinc/73/33/60/677733360.db2.gz REUISTUNXVIPLE-NEPJUHHUSA-N 1 1 321.333 -1.215 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC001076082586 677733486 /nfs/dbraw/zinc/73/34/86/677733486.db2.gz QYMAKQXQHBQTJQ-NWDGAFQWSA-N 1 1 309.370 -1.503 20 0 DAADMO CCn1cc(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076076503 677733597 /nfs/dbraw/zinc/73/35/97/677733597.db2.gz AVZADKRKADVCIP-CMPLNLGQSA-N 1 1 306.370 -1.142 20 0 DAADMO CCn1cc(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC001076076503 677733599 /nfs/dbraw/zinc/73/35/99/677733599.db2.gz AVZADKRKADVCIP-CMPLNLGQSA-N 1 1 306.370 -1.142 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001076084787 677733684 /nfs/dbraw/zinc/73/36/84/677733684.db2.gz JTTFIGZPLXUINE-RWMBFGLXSA-N 1 1 323.397 -1.115 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001076124649 677733928 /nfs/dbraw/zinc/73/39/28/677733928.db2.gz LDKUOPHMNMEUAM-RWMBFGLXSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC001076124649 677733929 /nfs/dbraw/zinc/73/39/29/677733929.db2.gz LDKUOPHMNMEUAM-RWMBFGLXSA-N 1 1 320.393 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128068 677734287 /nfs/dbraw/zinc/73/42/87/677734287.db2.gz AIMXPALYNCCVHZ-NWDGAFQWSA-N 1 1 323.397 -2.303 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128068 677734288 /nfs/dbraw/zinc/73/42/88/677734288.db2.gz AIMXPALYNCCVHZ-NWDGAFQWSA-N 1 1 323.397 -2.303 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076132104 677734663 /nfs/dbraw/zinc/73/46/63/677734663.db2.gz UNWREICGPIQBKG-RWMBFGLXSA-N 1 1 318.381 -1.053 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC001076142253 677734821 /nfs/dbraw/zinc/73/48/21/677734821.db2.gz VMKZTRIHLUPPRY-GARJFASQSA-N 1 1 319.369 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)n1 ZINC001076141882 677734952 /nfs/dbraw/zinc/73/49/52/677734952.db2.gz IRTUJVRZIFMLDO-WDEREUQCSA-N 1 1 317.357 -1.352 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)n1 ZINC001076138110 677734988 /nfs/dbraw/zinc/73/49/88/677734988.db2.gz NZQWEGYWPYLKON-HBNTYKKESA-N 1 1 319.369 -1.365 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141874 677735010 /nfs/dbraw/zinc/73/50/10/677735010.db2.gz IJFABOVVJUZYNS-OUAUKWLOSA-N 1 1 321.385 -1.167 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141874 677735011 /nfs/dbraw/zinc/73/50/11/677735011.db2.gz IJFABOVVJUZYNS-OUAUKWLOSA-N 1 1 321.385 -1.167 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076199480 677735179 /nfs/dbraw/zinc/73/51/79/677735179.db2.gz NDNSMORUNXZOCR-HBNTYKKESA-N 1 1 304.354 -1.217 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001076196376 677735441 /nfs/dbraw/zinc/73/54/41/677735441.db2.gz CGEUEKVOCQCCCY-SDDRHHMPSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001076196376 677735444 /nfs/dbraw/zinc/73/54/44/677735444.db2.gz CGEUEKVOCQCCCY-SDDRHHMPSA-N 1 1 321.381 -1.567 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195742 677735453 /nfs/dbraw/zinc/73/54/53/677735453.db2.gz UIQDCJRKJIVDLS-HBNTYKKESA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195742 677735456 /nfs/dbraw/zinc/73/54/56/677735456.db2.gz UIQDCJRKJIVDLS-HBNTYKKESA-N 1 1 309.370 -1.711 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187117 677735523 /nfs/dbraw/zinc/73/55/23/677735523.db2.gz QXYSJLMXWAIWBG-GXSJLCMTSA-N 1 1 305.338 -1.338 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187117 677735524 /nfs/dbraw/zinc/73/55/24/677735524.db2.gz QXYSJLMXWAIWBG-GXSJLCMTSA-N 1 1 305.338 -1.338 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076200098 677735526 /nfs/dbraw/zinc/73/55/26/677735526.db2.gz GWVLVPPQKIETDL-QJPTWQEYSA-N 1 1 307.354 -1.738 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076195404 677735540 /nfs/dbraw/zinc/73/55/40/677735540.db2.gz PBTLNTLCARYLBQ-SDDRHHMPSA-N 1 1 319.369 -1.508 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076249994 677736730 /nfs/dbraw/zinc/73/67/30/677736730.db2.gz NHVODIXPCZGDOG-QNWHQSFQSA-N 1 1 318.381 -1.068 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083544840 677737136 /nfs/dbraw/zinc/73/71/36/677737136.db2.gz PXZQWTHOHRBUAF-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083544840 677737139 /nfs/dbraw/zinc/73/71/39/677737139.db2.gz PXZQWTHOHRBUAF-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001083545260 677737773 /nfs/dbraw/zinc/73/77/73/677737773.db2.gz JNUADEXTTAPCHW-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC001076359599 677740104 /nfs/dbraw/zinc/74/01/04/677740104.db2.gz KGTNWRGJRPNOEY-ZMLRMANQSA-N 1 1 304.354 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369187 677740127 /nfs/dbraw/zinc/74/01/27/677740127.db2.gz LBIIGWVLRQAPEW-KXUCPTDWSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369187 677740131 /nfs/dbraw/zinc/74/01/31/677740131.db2.gz LBIIGWVLRQAPEW-KXUCPTDWSA-N 1 1 323.353 -2.055 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076369078 677740313 /nfs/dbraw/zinc/74/03/13/677740313.db2.gz GMYBHCQYKHMNBY-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO NC(=O)CN1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365595 677740338 /nfs/dbraw/zinc/74/03/38/677740338.db2.gz FKQOYJRMCZQKDV-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076374719 677740694 /nfs/dbraw/zinc/74/06/94/677740694.db2.gz ZXWMKHMHJISPIP-WDEREUQCSA-N 1 1 319.369 -1.024 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546722 677740772 /nfs/dbraw/zinc/74/07/72/677740772.db2.gz BSROEISFNYBVSW-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546722 677740774 /nfs/dbraw/zinc/74/07/74/677740774.db2.gz BSROEISFNYBVSW-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076373667 677740812 /nfs/dbraw/zinc/74/08/12/677740812.db2.gz DQWDDNCCYIPFDD-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076373667 677740816 /nfs/dbraw/zinc/74/08/16/677740816.db2.gz DQWDDNCCYIPFDD-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001076485161 677743161 /nfs/dbraw/zinc/74/31/61/677743161.db2.gz ZVGKSIBCYPAPLE-NWDGAFQWSA-N 1 1 319.365 -1.430 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001076485161 677743164 /nfs/dbraw/zinc/74/31/64/677743164.db2.gz ZVGKSIBCYPAPLE-NWDGAFQWSA-N 1 1 319.365 -1.430 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076444457 677743178 /nfs/dbraw/zinc/74/31/78/677743178.db2.gz BSLVOVCBBRKHLB-HBNTYKKESA-N 1 1 304.354 -1.232 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076543937 677743674 /nfs/dbraw/zinc/74/36/74/677743674.db2.gz HCZVLKAKSJEUDN-WDEREUQCSA-N 1 1 310.354 -1.283 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001076537822 677743727 /nfs/dbraw/zinc/74/37/27/677743727.db2.gz HUPRSXGUZUPSSA-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001076537822 677743728 /nfs/dbraw/zinc/74/37/28/677743728.db2.gz HUPRSXGUZUPSSA-GXSJLCMTSA-N 1 1 305.338 -1.588 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076541922 677743751 /nfs/dbraw/zinc/74/37/51/677743751.db2.gz YFVJLKYHGYPZAE-QJPTWQEYSA-N 1 1 304.354 -1.301 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544067 677743798 /nfs/dbraw/zinc/74/37/98/677743798.db2.gz NMXNHVMEBRDADM-KXUCPTDWSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544067 677743800 /nfs/dbraw/zinc/74/38/00/677743800.db2.gz NMXNHVMEBRDADM-KXUCPTDWSA-N 1 1 323.353 -2.055 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076548644 677744319 /nfs/dbraw/zinc/74/43/19/677744319.db2.gz BHHDGDGGAMOGIY-QJPTWQEYSA-N 1 1 324.381 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076550131 677744375 /nfs/dbraw/zinc/74/43/75/677744375.db2.gz RUKADTJQFJSRGH-WDEREUQCSA-N 1 1 322.365 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076550131 677744376 /nfs/dbraw/zinc/74/43/76/677744376.db2.gz RUKADTJQFJSRGH-WDEREUQCSA-N 1 1 322.365 -1.586 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076581877 677744588 /nfs/dbraw/zinc/74/45/88/677744588.db2.gz BHUDNPIHPHEKGU-SDDRHHMPSA-N 1 1 317.411 -1.407 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001076585191 677744635 /nfs/dbraw/zinc/74/46/35/677744635.db2.gz FVZQBLQTXQXCHM-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001076585439 677744642 /nfs/dbraw/zinc/74/46/42/677744642.db2.gz KVTKIEHLBYGOAA-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076582095 677744822 /nfs/dbraw/zinc/74/48/22/677744822.db2.gz KASLGDDSDZQRSI-QJPTWQEYSA-N 1 1 317.411 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC001076594646 677744867 /nfs/dbraw/zinc/74/48/67/677744867.db2.gz QTEBUSFCABKIRX-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC001076594646 677744870 /nfs/dbraw/zinc/74/48/70/677744870.db2.gz QTEBUSFCABKIRX-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607437 677745609 /nfs/dbraw/zinc/74/56/09/677745609.db2.gz DWSZJIIIUHTZFM-CMPLNLGQSA-N 1 1 322.369 -1.444 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001083550821 677746043 /nfs/dbraw/zinc/74/60/43/677746043.db2.gz CYZBFMDISGQQCP-MNOVXSKESA-N 1 1 308.338 -1.173 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001083550821 677746044 /nfs/dbraw/zinc/74/60/44/677746044.db2.gz CYZBFMDISGQQCP-MNOVXSKESA-N 1 1 308.338 -1.173 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076646118 677746663 /nfs/dbraw/zinc/74/66/63/677746663.db2.gz YGDBWCSUMYIVOW-LPEHRKFASA-N 1 1 308.338 -1.943 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076646118 677746665 /nfs/dbraw/zinc/74/66/65/677746665.db2.gz YGDBWCSUMYIVOW-LPEHRKFASA-N 1 1 308.338 -1.943 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 ZINC001076652942 677747581 /nfs/dbraw/zinc/74/75/81/677747581.db2.gz RCVAURHCDAODDU-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C(F)F ZINC001076662450 677748129 /nfs/dbraw/zinc/74/81/29/677748129.db2.gz IEJIFEDFOUYFDU-IVZWLZJFSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C(F)F ZINC001076662450 677748132 /nfs/dbraw/zinc/74/81/32/677748132.db2.gz IEJIFEDFOUYFDU-IVZWLZJFSA-N 1 1 304.297 -1.330 20 0 DAADMO CC(C)(F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076669162 677748296 /nfs/dbraw/zinc/74/82/96/677748296.db2.gz NCGRUMCLYGLZSR-NXEZZACHSA-N 1 1 302.350 -1.079 20 0 DAADMO CC(C)(F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076669162 677748300 /nfs/dbraw/zinc/74/83/00/677748300.db2.gz NCGRUMCLYGLZSR-NXEZZACHSA-N 1 1 302.350 -1.079 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C1=COCCO1 ZINC001076710000 677749726 /nfs/dbraw/zinc/74/97/26/677749726.db2.gz LXRZNASVDFROGE-VXGBXAGGSA-N 1 1 308.338 -1.067 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)C1=COCCO1 ZINC001076710000 677749732 /nfs/dbraw/zinc/74/97/32/677749732.db2.gz LXRZNASVDFROGE-VXGBXAGGSA-N 1 1 308.338 -1.067 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCCO1 ZINC001076707652 677749768 /nfs/dbraw/zinc/74/97/68/677749768.db2.gz KJHCSAZUWDSITP-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCCO1 ZINC001076707652 677749770 /nfs/dbraw/zinc/74/97/70/677749770.db2.gz KJHCSAZUWDSITP-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713150 677750686 /nfs/dbraw/zinc/75/06/86/677750686.db2.gz MLXDWKAECWHLPV-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713150 677750689 /nfs/dbraw/zinc/75/06/89/677750689.db2.gz MLXDWKAECWHLPV-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001076722273 677750955 /nfs/dbraw/zinc/75/09/55/677750955.db2.gz XCBPZOWWMBXIEA-QJPTWQEYSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CCCO1 ZINC001076716705 677751055 /nfs/dbraw/zinc/75/10/55/677751055.db2.gz WPDZGRNJIIFTFA-IJLUTSLNSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CCCO1 ZINC001076716705 677751056 /nfs/dbraw/zinc/75/10/56/677751056.db2.gz WPDZGRNJIIFTFA-IJLUTSLNSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713357 677751080 /nfs/dbraw/zinc/75/10/80/677751080.db2.gz XKWJYZPKYYMLHW-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713357 677751082 /nfs/dbraw/zinc/75/10/82/677751082.db2.gz XKWJYZPKYYMLHW-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)cn1 ZINC001076723337 677751109 /nfs/dbraw/zinc/75/11/09/677751109.db2.gz WYPBHMXRSDHXFO-VXGBXAGGSA-N 1 1 320.357 -2.189 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076722293 677751233 /nfs/dbraw/zinc/75/12/33/677751233.db2.gz XYUCGOPTGBHIFA-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076722293 677751236 /nfs/dbraw/zinc/75/12/36/677751236.db2.gz XYUCGOPTGBHIFA-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001076724304 677751616 /nfs/dbraw/zinc/75/16/16/677751616.db2.gz OFZXAXAUPJWAQP-VXGBXAGGSA-N 1 1 310.358 -1.597 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001076724365 677751767 /nfs/dbraw/zinc/75/17/67/677751767.db2.gz RPHSOPBDUZDCHO-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001076724365 677751770 /nfs/dbraw/zinc/75/17/70/677751770.db2.gz RPHSOPBDUZDCHO-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001076724406 677751884 /nfs/dbraw/zinc/75/18/84/677751884.db2.gz UGZDEJYTKAMMFZ-QJPTWQEYSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076728213 677752421 /nfs/dbraw/zinc/75/24/21/677752421.db2.gz DNBKZSRJSNRCAE-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001076724505 677752518 /nfs/dbraw/zinc/75/25/18/677752518.db2.gz YSXDEDLTQQYXBP-JHJVBQTASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076737553 677752961 /nfs/dbraw/zinc/75/29/61/677752961.db2.gz PEXBEBSDQHDLNF-GHMZBOCLSA-N 1 1 321.337 -1.659 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccc[nH]1 ZINC001076737553 677752962 /nfs/dbraw/zinc/75/29/62/677752962.db2.gz PEXBEBSDQHDLNF-GHMZBOCLSA-N 1 1 321.337 -1.659 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001076746611 677753119 /nfs/dbraw/zinc/75/31/19/677753119.db2.gz JBNFLDQDKXMHQG-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001076746611 677753122 /nfs/dbraw/zinc/75/31/22/677753122.db2.gz JBNFLDQDKXMHQG-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076761052 677754323 /nfs/dbraw/zinc/75/43/23/677754323.db2.gz WJUYUAGFJHPMFA-UPJWGTAASA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076761052 677754325 /nfs/dbraw/zinc/75/43/25/677754325.db2.gz WJUYUAGFJHPMFA-UPJWGTAASA-N 1 1 310.354 -1.540 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083553399 677754383 /nfs/dbraw/zinc/75/43/83/677754383.db2.gz BISDBPDKCHZWCY-WZRBSPASSA-N 1 1 312.370 -1.315 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cn[nH]c1 ZINC001076772303 677755312 /nfs/dbraw/zinc/75/53/12/677755312.db2.gz ZHLKVBBMJXCUMU-IJLUTSLNSA-N 1 1 317.353 -1.036 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)CC(N)=O)C1 ZINC001076769375 677755474 /nfs/dbraw/zinc/75/54/74/677755474.db2.gz YHUJVNNUGDCASR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)CC(N)=O)C1 ZINC001076769375 677755476 /nfs/dbraw/zinc/75/54/76/677755476.db2.gz YHUJVNNUGDCASR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccon1 ZINC001076766893 677755602 /nfs/dbraw/zinc/75/56/02/677755602.db2.gz HHDPOSHITNKQGU-RAIGVLPGSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccon1 ZINC001076766893 677755605 /nfs/dbraw/zinc/75/56/05/677755605.db2.gz HHDPOSHITNKQGU-RAIGVLPGSA-N 1 1 321.337 -1.293 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001076805348 677757687 /nfs/dbraw/zinc/75/76/87/677757687.db2.gz CWSHOUYBLSWXFP-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)[nH]1 ZINC001076808661 677758309 /nfs/dbraw/zinc/75/83/09/677758309.db2.gz NOJOJBBBSYDVBP-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)[nH]1 ZINC001076808661 677758311 /nfs/dbraw/zinc/75/83/11/677758311.db2.gz NOJOJBBBSYDVBP-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076803539 677758329 /nfs/dbraw/zinc/75/83/29/677758329.db2.gz JHDSJZXSHYSDEY-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076803539 677758330 /nfs/dbraw/zinc/75/83/30/677758330.db2.gz JHDSJZXSHYSDEY-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]3O)nn2c1 ZINC001083554504 677758430 /nfs/dbraw/zinc/75/84/30/677758430.db2.gz JDEAKLASWFRWKK-AXFHLTTASA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3O)nn2c1 ZINC001083554504 677758432 /nfs/dbraw/zinc/75/84/32/677758432.db2.gz JDEAKLASWFRWKK-AXFHLTTASA-N 1 1 320.353 -1.412 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001076812919 677759496 /nfs/dbraw/zinc/75/94/96/677759496.db2.gz XVRJUUPGJJPXOR-FRRDWIJNSA-N 1 1 308.386 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076811002 677759730 /nfs/dbraw/zinc/75/97/30/677759730.db2.gz WOCUEYUWKWSZMQ-JHJVBQTASA-N 1 1 311.382 -1.147 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001076812816 677759749 /nfs/dbraw/zinc/75/97/49/677759749.db2.gz UWCAONMKOIRQEQ-IJLUTSLNSA-N 1 1 308.386 -1.131 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810363 677759847 /nfs/dbraw/zinc/75/98/47/677759847.db2.gz GJNIBFUZWJENLC-IJLUTSLNSA-N 1 1 307.354 -1.677 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810363 677759850 /nfs/dbraw/zinc/75/98/50/677759850.db2.gz GJNIBFUZWJENLC-IJLUTSLNSA-N 1 1 307.354 -1.677 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)C1 ZINC001076835901 677761391 /nfs/dbraw/zinc/76/13/91/677761391.db2.gz PLJNWAYILUJQDY-JHJVBQTASA-N 1 1 310.354 -1.334 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@H]2O)C1 ZINC001076835901 677761395 /nfs/dbraw/zinc/76/13/95/677761395.db2.gz PLJNWAYILUJQDY-JHJVBQTASA-N 1 1 310.354 -1.334 20 0 DAADMO Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838550 677761518 /nfs/dbraw/zinc/76/15/18/677761518.db2.gz CIGHJBNVFWQRIG-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1conc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838550 677761521 /nfs/dbraw/zinc/76/15/21/677761521.db2.gz CIGHJBNVFWQRIG-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076835589 677761859 /nfs/dbraw/zinc/76/18/59/677761859.db2.gz DFEUJPGANAMKOY-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076835589 677761863 /nfs/dbraw/zinc/76/18/63/677761863.db2.gz DFEUJPGANAMKOY-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076836837 677761937 /nfs/dbraw/zinc/76/19/37/677761937.db2.gz BKLJPTFSDKRLIF-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076836837 677761940 /nfs/dbraw/zinc/76/19/40/677761940.db2.gz BKLJPTFSDKRLIF-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076838731 677761953 /nfs/dbraw/zinc/76/19/53/677761953.db2.gz KFEAJPGTCFBOAU-UPJWGTAASA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076838731 677761955 /nfs/dbraw/zinc/76/19/55/677761955.db2.gz KFEAJPGTCFBOAU-UPJWGTAASA-N 1 1 324.385 -2.230 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076874296 677763392 /nfs/dbraw/zinc/76/33/92/677763392.db2.gz ZGZDCKYMKNSAOR-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076874296 677763396 /nfs/dbraw/zinc/76/33/96/677763396.db2.gz ZGZDCKYMKNSAOR-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555441 677764849 /nfs/dbraw/zinc/76/48/49/677764849.db2.gz HLQGBPGTLFHTNB-WCQGTBRESA-N 1 1 308.338 -1.006 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)ncn1 ZINC001076894492 677765611 /nfs/dbraw/zinc/76/56/11/677765611.db2.gz GZFFMGCNEPUVMO-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)ncn1 ZINC001076894492 677765613 /nfs/dbraw/zinc/76/56/13/677765613.db2.gz GZFFMGCNEPUVMO-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076910103 677766455 /nfs/dbraw/zinc/76/64/55/677766455.db2.gz YUJONROVJJLQMC-GHMZBOCLSA-N 1 1 321.341 -1.958 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1)OC ZINC001076909431 677766619 /nfs/dbraw/zinc/76/66/19/677766619.db2.gz BWGLHUWCARLPAT-GMTAPVOTSA-N 1 1 313.358 -1.430 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909621 677766653 /nfs/dbraw/zinc/76/66/53/677766653.db2.gz JBMTYHUIJIWEPT-OPRDCNLKSA-N 1 1 301.322 -1.107 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)c1N ZINC001076914490 677768851 /nfs/dbraw/zinc/76/88/51/677768851.db2.gz YONKSEJGLSBCLL-VXGBXAGGSA-N 1 1 319.369 -1.326 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)c1N ZINC001076914490 677768853 /nfs/dbraw/zinc/76/88/53/677768853.db2.gz YONKSEJGLSBCLL-VXGBXAGGSA-N 1 1 319.369 -1.326 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cncnc1 ZINC001076916325 677768862 /nfs/dbraw/zinc/76/88/62/677768862.db2.gz FVGUBDFAPYAUBF-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cncnc1 ZINC001076916325 677768863 /nfs/dbraw/zinc/76/88/63/677768863.db2.gz FVGUBDFAPYAUBF-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC001076916493 677769646 /nfs/dbraw/zinc/76/96/46/677769646.db2.gz NRQFZAPEGQORPU-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC001076916493 677769650 /nfs/dbraw/zinc/76/96/50/677769650.db2.gz NRQFZAPEGQORPU-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)cc1=O ZINC001076930976 677769950 /nfs/dbraw/zinc/76/99/50/677769950.db2.gz RUGYSZULWMWWKM-HBNTYKKESA-N 1 1 311.338 -1.210 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942503 677771607 /nfs/dbraw/zinc/77/16/07/677771607.db2.gz QRKRVGDSLKGFIB-IJLUTSLNSA-N 1 1 313.354 -1.175 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942328 677771659 /nfs/dbraw/zinc/77/16/59/677771659.db2.gz LOJRMXHJJKXZEF-GRYCIOLGSA-N 1 1 323.353 -1.768 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942275 677771711 /nfs/dbraw/zinc/77/17/11/677771711.db2.gz JVLDXXFMCXTLJK-GMTAPVOTSA-N 1 1 309.326 -1.847 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942275 677771713 /nfs/dbraw/zinc/77/17/13/677771713.db2.gz JVLDXXFMCXTLJK-GMTAPVOTSA-N 1 1 309.326 -1.847 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001076942641 677772354 /nfs/dbraw/zinc/77/23/54/677772354.db2.gz VPFQNXWLXMMHLV-GRYCIOLGSA-N 1 1 323.353 -1.768 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076965825 677774471 /nfs/dbraw/zinc/77/44/71/677774471.db2.gz WJFULNPKNRGUAR-NXEZZACHSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076965825 677774475 /nfs/dbraw/zinc/77/44/75/677774475.db2.gz WJFULNPKNRGUAR-NXEZZACHSA-N 1 1 306.330 -2.118 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076968006 677774724 /nfs/dbraw/zinc/77/47/24/677774724.db2.gz KHOINHSZYWSHQZ-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076968006 677774727 /nfs/dbraw/zinc/77/47/27/677774727.db2.gz KHOINHSZYWSHQZ-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971360 677774936 /nfs/dbraw/zinc/77/49/36/677774936.db2.gz ALSWHHFNQNBGGO-GHMZBOCLSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971360 677774941 /nfs/dbraw/zinc/77/49/41/677774941.db2.gz ALSWHHFNQNBGGO-GHMZBOCLSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1ncc[nH]1 ZINC001076971722 677775005 /nfs/dbraw/zinc/77/50/05/677775005.db2.gz QBCHAQKWCNLGCW-HBNTYKKESA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971852 677775340 /nfs/dbraw/zinc/77/53/40/677775340.db2.gz WDZOCXFANXCBBA-NXEZZACHSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971852 677775343 /nfs/dbraw/zinc/77/53/43/677775343.db2.gz WDZOCXFANXCBBA-NXEZZACHSA-N 1 1 321.337 -1.666 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001076990471 677777150 /nfs/dbraw/zinc/77/71/50/677777150.db2.gz DFJCZIAKJZWDFH-MVWJERBFSA-N 1 1 307.354 -1.056 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001076994560 677777511 /nfs/dbraw/zinc/77/75/11/677777511.db2.gz JMGIGEHIVZMXIB-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076995481 677777619 /nfs/dbraw/zinc/77/76/19/677777619.db2.gz CCMSVIHKBUHBSD-YUSALJHKSA-N 1 1 309.370 -1.302 20 0 DAADMO Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076996728 677777825 /nfs/dbraw/zinc/77/78/25/677777825.db2.gz KVEDOTKJJVAIQY-IACUBPJLSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1nn([C@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076996728 677777830 /nfs/dbraw/zinc/77/78/30/677777830.db2.gz KVEDOTKJJVAIQY-IACUBPJLSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076996729 677777859 /nfs/dbraw/zinc/77/78/59/677777859.db2.gz KVEDOTKJJVAIQY-MRVWCRGKSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076996729 677777863 /nfs/dbraw/zinc/77/78/63/677777863.db2.gz KVEDOTKJJVAIQY-MRVWCRGKSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001641 677777871 /nfs/dbraw/zinc/77/78/71/677777871.db2.gz DFHPJHJAPWTCLA-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001641 677777876 /nfs/dbraw/zinc/77/78/76/677777876.db2.gz DFHPJHJAPWTCLA-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003139 677778081 /nfs/dbraw/zinc/77/80/81/677778081.db2.gz UVOAVKBLEVCWOG-VXGBXAGGSA-N 1 1 320.357 -2.189 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)cn1 ZINC001077003014 677778579 /nfs/dbraw/zinc/77/85/79/677778579.db2.gz PGONNKQWDDQGBJ-VXGBXAGGSA-N 1 1 320.357 -2.189 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077002687 677778633 /nfs/dbraw/zinc/77/86/33/677778633.db2.gz CEEYNQZULYEPBM-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)CC[N@H+]1C ZINC001077022809 677779362 /nfs/dbraw/zinc/77/93/62/677779362.db2.gz VXHDZJXQQFUTOS-DDHJBXDOSA-N 1 1 323.401 -1.788 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026991 677779465 /nfs/dbraw/zinc/77/94/65/677779465.db2.gz WQMDKEPQBLYLMZ-IWSPIJDZSA-N 1 1 312.330 -3.081 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)CC[N@H+]1C ZINC001077023645 677779940 /nfs/dbraw/zinc/77/99/40/677779940.db2.gz LORIWJCJATVDPN-FMKGYKFTSA-N 1 1 322.413 -1.183 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077043771 677779956 /nfs/dbraw/zinc/77/99/56/677779956.db2.gz NAUNTGAHZWUZRR-VXGBXAGGSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1cc[nH]c1 ZINC001077043771 677779960 /nfs/dbraw/zinc/77/99/60/677779960.db2.gz NAUNTGAHZWUZRR-VXGBXAGGSA-N 1 1 320.349 -1.061 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)CC[N@H+]1C ZINC001077023620 677779982 /nfs/dbraw/zinc/77/99/82/677779982.db2.gz KQRUGENNFILFPJ-AAVRWANBSA-N 1 1 322.413 -1.220 20 0 DAADMO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077044723 677780076 /nfs/dbraw/zinc/78/00/76/677780076.db2.gz FWZDYMMDAWLSCQ-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077044723 677780078 /nfs/dbraw/zinc/78/00/78/677780078.db2.gz FWZDYMMDAWLSCQ-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)CC[N@H+]1C ZINC001077023667 677780309 /nfs/dbraw/zinc/78/03/09/677780309.db2.gz MJZAUAMHFQLADI-FMKGYKFTSA-N 1 1 322.413 -1.183 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)n1 ZINC001077034405 677780382 /nfs/dbraw/zinc/78/03/82/677780382.db2.gz XGEVGSBQBIRGEA-NXEZZACHSA-N 1 1 312.374 -1.415 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001077034405 677780385 /nfs/dbraw/zinc/78/03/85/677780385.db2.gz XGEVGSBQBIRGEA-NXEZZACHSA-N 1 1 312.374 -1.415 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056232 677780622 /nfs/dbraw/zinc/78/06/22/677780622.db2.gz MFQFSXPTGRDYKK-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077046251 677780695 /nfs/dbraw/zinc/78/06/95/677780695.db2.gz IWTWDVZCBGLLBA-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056081 677780960 /nfs/dbraw/zinc/78/09/60/677780960.db2.gz FHSHDBPQJXQSOI-FBIMIBRVSA-N 1 1 306.326 -1.720 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001077092034 677782398 /nfs/dbraw/zinc/78/23/98/677782398.db2.gz AHRLSBUIFNQXLI-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093410 677782708 /nfs/dbraw/zinc/78/27/08/677782708.db2.gz NJNLIMVGCNKNIR-GHMZBOCLSA-N 1 1 305.400 -1.408 20 0 DAADMO CC(C)CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077087568 677783447 /nfs/dbraw/zinc/78/34/47/677783447.db2.gz MGBQLLOVQOXZPM-JHJVBQTASA-N 1 1 313.398 -1.356 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077100890 677783769 /nfs/dbraw/zinc/78/37/69/677783769.db2.gz CSNCXZPJOLRLQT-VXGBXAGGSA-N 1 1 310.354 -1.049 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077100890 677783773 /nfs/dbraw/zinc/78/37/73/677783773.db2.gz CSNCXZPJOLRLQT-VXGBXAGGSA-N 1 1 310.354 -1.049 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nc2C1 ZINC001083563940 677784112 /nfs/dbraw/zinc/78/41/12/677784112.db2.gz JLLZQFDZOVVCLF-WZRBSPASSA-N 1 1 324.381 -1.389 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nc2C1 ZINC001083563940 677784115 /nfs/dbraw/zinc/78/41/15/677784115.db2.gz JLLZQFDZOVVCLF-WZRBSPASSA-N 1 1 324.381 -1.389 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccnc2ccnn21 ZINC001077119468 677784585 /nfs/dbraw/zinc/78/45/85/677784585.db2.gz ORDHCKVJTNVLOK-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001077129848 677785395 /nfs/dbraw/zinc/78/53/95/677785395.db2.gz CJZKBDNEXOVQKQ-OASPWFOLSA-N 1 1 309.370 -1.302 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c(c1)OCC(=O)N2 ZINC001077138481 677785684 /nfs/dbraw/zinc/78/56/84/677785684.db2.gz GZLZKWWXBPWQKU-VXGBXAGGSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(c1)OCC(=O)N2 ZINC001077138481 677785686 /nfs/dbraw/zinc/78/56/86/677785686.db2.gz GZLZKWWXBPWQKU-VXGBXAGGSA-N 1 1 321.333 -1.215 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140914 677785766 /nfs/dbraw/zinc/78/57/66/677785766.db2.gz LJZYTODMKOFCED-HBNTYKKESA-N 1 1 301.343 -2.613 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142229 677785789 /nfs/dbraw/zinc/78/57/89/677785789.db2.gz YHJLXPUARCBXGX-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccncc23)C1 ZINC001077144435 677785818 /nfs/dbraw/zinc/78/58/18/677785818.db2.gz GSLFKVCJDRBQPA-UFGOTCBOSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077141094 677785828 /nfs/dbraw/zinc/78/58/28/677785828.db2.gz UZGXWDDXVMSJQT-GHMZBOCLSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001077144762 677785968 /nfs/dbraw/zinc/78/59/68/677785968.db2.gz XDBUMZHISXARIM-GHMZBOCLSA-N 1 1 306.326 -1.490 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156927 677786361 /nfs/dbraw/zinc/78/63/61/677786361.db2.gz NVHZJSIWJLQCAK-DJLDLDEBSA-N 1 1 300.315 -2.608 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)C(N)=O ZINC001077149095 677788219 /nfs/dbraw/zinc/78/82/19/677788219.db2.gz QXLSYEBMEVCEII-IVZWLZJFSA-N 1 1 300.359 -1.798 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)C(N)=O ZINC001077149095 677788222 /nfs/dbraw/zinc/78/82/22/677788222.db2.gz QXLSYEBMEVCEII-IVZWLZJFSA-N 1 1 300.359 -1.798 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001077146799 677788228 /nfs/dbraw/zinc/78/82/28/677788228.db2.gz MXDCYXFRQFHFGL-IRUJWGPZSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170332 677788444 /nfs/dbraw/zinc/78/84/44/677788444.db2.gz YBZCGOTWPFGHFS-HOSYDEDBSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCCN1c1ncccn1 ZINC001077165796 677788592 /nfs/dbraw/zinc/78/85/92/677788592.db2.gz ZPLNWMVCHOLIDC-JHJVBQTASA-N 1 1 321.381 -1.401 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCCN1c1ncccn1 ZINC001077165796 677788596 /nfs/dbraw/zinc/78/85/96/677788596.db2.gz ZPLNWMVCHOLIDC-JHJVBQTASA-N 1 1 321.381 -1.401 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077185055 677789710 /nfs/dbraw/zinc/78/97/10/677789710.db2.gz IKNPUGHYRRKDER-NXEZZACHSA-N 1 1 321.341 -1.510 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077185055 677789712 /nfs/dbraw/zinc/78/97/12/677789712.db2.gz IKNPUGHYRRKDER-NXEZZACHSA-N 1 1 321.341 -1.510 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077237972 677792258 /nfs/dbraw/zinc/79/22/58/677792258.db2.gz WMCVEOGVQMRVGV-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO COc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)n2n1 ZINC001077254230 677792780 /nfs/dbraw/zinc/79/27/80/677792780.db2.gz RAXXXWODMYWHSY-MWLCHTKSSA-N 1 1 321.337 -1.495 20 0 DAADMO COc1ccc2ncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)n2n1 ZINC001077254230 677792783 /nfs/dbraw/zinc/79/27/83/677792783.db2.gz RAXXXWODMYWHSY-MWLCHTKSSA-N 1 1 321.337 -1.495 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC001077245745 677792801 /nfs/dbraw/zinc/79/28/01/677792801.db2.gz HDCTZVCUXYFZOZ-CHWSQXEVSA-N 1 1 307.350 -1.057 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC001077234656 677792824 /nfs/dbraw/zinc/79/28/24/677792824.db2.gz VINTXUKDAFFJKG-RKDXNWHRSA-N 1 1 312.326 -1.739 20 0 DAADMO COc1cc(OC)nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001077234656 677792826 /nfs/dbraw/zinc/79/28/26/677792826.db2.gz VINTXUKDAFFJKG-RKDXNWHRSA-N 1 1 312.326 -1.739 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569884 677793066 /nfs/dbraw/zinc/79/30/66/677793066.db2.gz SXZUTJJUBWIUPJ-FOGDFJRCSA-N 1 1 310.354 -1.431 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077253911 677793261 /nfs/dbraw/zinc/79/32/61/677793261.db2.gz CDUQNIBDTQQDNG-CHWSQXEVSA-N 1 1 312.414 -1.422 20 0 DAADMO CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001077264227 677794281 /nfs/dbraw/zinc/79/42/81/677794281.db2.gz KJSHFYOFUBXMRE-FIYWTHMPSA-N 1 1 323.397 -1.211 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)CC1=O ZINC001077260817 677794704 /nfs/dbraw/zinc/79/47/04/677794704.db2.gz XAUZTNKERCAIDW-ZIAGYGMSSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2nccn2C1 ZINC001077259451 677794817 /nfs/dbraw/zinc/79/48/17/677794817.db2.gz RNPQNVNRTAMYIQ-JHJVBQTASA-N 1 1 308.382 -1.011 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264106 677794885 /nfs/dbraw/zinc/79/48/85/677794885.db2.gz DGXOOCSPWMCYQG-GMTAPVOTSA-N 1 1 313.358 -2.222 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001077275063 677795243 /nfs/dbraw/zinc/79/52/43/677795243.db2.gz PTFVIIDGCPGYEU-OASPWFOLSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC001077275063 677795245 /nfs/dbraw/zinc/79/52/45/677795245.db2.gz PTFVIIDGCPGYEU-OASPWFOLSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279258 677795286 /nfs/dbraw/zinc/79/52/86/677795286.db2.gz FAAHSFFAKVIXPO-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001077279258 677795288 /nfs/dbraw/zinc/79/52/88/677795288.db2.gz FAAHSFFAKVIXPO-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO NC(=O)C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077272901 677795429 /nfs/dbraw/zinc/79/54/29/677795429.db2.gz SMPFGQMPRLTQRF-FIYWTHMPSA-N 1 1 313.398 -1.178 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077297000 677797406 /nfs/dbraw/zinc/79/74/06/677797406.db2.gz OOCNQIKLHXNPNC-GHMZBOCLSA-N 1 1 300.359 -2.055 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC001077303113 677798614 /nfs/dbraw/zinc/79/86/14/677798614.db2.gz OPINLLORBCHAOZ-VXGBXAGGSA-N 1 1 320.349 -1.267 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077322041 677799401 /nfs/dbraw/zinc/79/94/01/677799401.db2.gz ZUQIXDLYQGAMSB-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315554 677799547 /nfs/dbraw/zinc/79/95/47/677799547.db2.gz RSYKSWWMGWUSDT-UFGOTCBOSA-N 1 1 324.381 -1.066 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077321899 677799735 /nfs/dbraw/zinc/79/97/35/677799735.db2.gz RSLDCGCHGSKYBR-NXEZZACHSA-N 1 1 314.317 -1.530 20 0 DAADMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001077342129 677801407 /nfs/dbraw/zinc/80/14/07/677801407.db2.gz YTNIBUOFWKTXEC-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001077342129 677801412 /nfs/dbraw/zinc/80/14/12/677801412.db2.gz YTNIBUOFWKTXEC-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077379591 677801801 /nfs/dbraw/zinc/80/18/01/677801801.db2.gz PVMZTKHAZPJGQP-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)n1 ZINC001077360210 677801806 /nfs/dbraw/zinc/80/18/06/677801806.db2.gz XJQJVMCMCMHEAO-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)n1 ZINC001077360210 677801809 /nfs/dbraw/zinc/80/18/09/677801809.db2.gz XJQJVMCMCMHEAO-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001077363062 677802162 /nfs/dbraw/zinc/80/21/62/677802162.db2.gz CZJCXWSMUGMDDJ-NXEZZACHSA-N 1 1 306.326 -1.226 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077377841 677802420 /nfs/dbraw/zinc/80/24/20/677802420.db2.gz CWBYEOMYTRGUNO-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077377841 677802422 /nfs/dbraw/zinc/80/24/22/677802422.db2.gz CWBYEOMYTRGUNO-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077392507 677803124 /nfs/dbraw/zinc/80/31/24/677803124.db2.gz DVORAWQDSZBCHQ-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077394867 677803236 /nfs/dbraw/zinc/80/32/36/677803236.db2.gz HREAVTWBHYWIKV-VXGBXAGGSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077394886 677803264 /nfs/dbraw/zinc/80/32/64/677803264.db2.gz ISCRCKUBLHYHGI-CHWSQXEVSA-N 1 1 321.381 -1.369 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392559 677803269 /nfs/dbraw/zinc/80/32/69/677803269.db2.gz GMTSZDDDGFICOE-FRRDWIJNSA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077394796 677803374 /nfs/dbraw/zinc/80/33/74/677803374.db2.gz DQYGYADCZJGUAM-CHWSQXEVSA-N 1 1 321.381 -1.415 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001077407080 677803913 /nfs/dbraw/zinc/80/39/13/677803913.db2.gz DNKFNVZGYSVNEM-VXGBXAGGSA-N 1 1 320.353 -1.215 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001077407080 677803914 /nfs/dbraw/zinc/80/39/14/677803914.db2.gz DNKFNVZGYSVNEM-VXGBXAGGSA-N 1 1 320.353 -1.215 20 0 DAADMO O=C(Cn1cnc2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077399520 677804097 /nfs/dbraw/zinc/80/40/97/677804097.db2.gz NAMKPHXSPUIBDP-TZMCWYRMSA-N 1 1 308.382 -1.085 20 0 DAADMO O=C(N[C@@H]1CN(CCO)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418286 677804441 /nfs/dbraw/zinc/80/44/41/677804441.db2.gz MFIXXKVQAPVAJF-UNOFRPGUSA-N 1 1 311.382 -1.997 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)ncc1=O ZINC001077413335 677804617 /nfs/dbraw/zinc/80/46/17/677804617.db2.gz RVXWNNGIGYQABD-DMDPSCGWSA-N 1 1 322.365 -1.408 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCn2ccnc2C1 ZINC001083582992 677805388 /nfs/dbraw/zinc/80/53/88/677805388.db2.gz OAPWZNUECQYOMM-UPJWGTAASA-N 1 1 308.382 -1.011 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083582031 677805579 /nfs/dbraw/zinc/80/55/79/677805579.db2.gz UIXZYFCVSSWMHS-NDMJEZRESA-N 1 1 312.370 -1.278 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585664 677805988 /nfs/dbraw/zinc/80/59/88/677805988.db2.gz HTTPZTFFRNXWAU-MXWKQRLJSA-N 1 1 315.349 -1.509 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083585368 677806001 /nfs/dbraw/zinc/80/60/01/677806001.db2.gz SFJSHWUDNMQXBO-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083585368 677806003 /nfs/dbraw/zinc/80/60/03/677806003.db2.gz SFJSHWUDNMQXBO-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)c1=O ZINC001083585682 677806144 /nfs/dbraw/zinc/80/61/44/677806144.db2.gz IOEMQRZLNLBKQL-ZJUUUORDSA-N 1 1 301.322 -1.897 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586189 677806236 /nfs/dbraw/zinc/80/62/36/677806236.db2.gz HPISANMBGSRMFA-NEPJUHHUSA-N 1 1 311.386 -1.211 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083587946 677806297 /nfs/dbraw/zinc/80/62/97/677806297.db2.gz QWHIRFUZSGLGAU-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083592684 677806905 /nfs/dbraw/zinc/80/69/05/677806905.db2.gz MFKKGUDERAYKQO-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083592684 677806908 /nfs/dbraw/zinc/80/69/08/677806908.db2.gz MFKKGUDERAYKQO-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083592503 677806934 /nfs/dbraw/zinc/80/69/34/677806934.db2.gz FAAHSFFAKVIXPO-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083592503 677806936 /nfs/dbraw/zinc/80/69/36/677806936.db2.gz FAAHSFFAKVIXPO-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cn[nH]n1 ZINC001083598459 677809155 /nfs/dbraw/zinc/80/91/55/677809155.db2.gz VTWNHUGJSPJIGV-WCQGTBRESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnn[nH]1 ZINC001083598459 677809160 /nfs/dbraw/zinc/80/91/60/677809160.db2.gz VTWNHUGJSPJIGV-WCQGTBRESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnn[nH]1 ZINC001083598459 677809163 /nfs/dbraw/zinc/80/91/63/677809163.db2.gz VTWNHUGJSPJIGV-WCQGTBRESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1sccc1-n1cnnn1 ZINC001083600603 677809968 /nfs/dbraw/zinc/80/99/68/677809968.db2.gz CNVXWTFTXVULFP-SCZZXKLOSA-N 1 1 324.366 -1.509 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1sccc1-n1cnnn1 ZINC001083600603 677809972 /nfs/dbraw/zinc/80/99/72/677809972.db2.gz CNVXWTFTXVULFP-SCZZXKLOSA-N 1 1 324.366 -1.509 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc(OC)n1 ZINC001083605835 677810889 /nfs/dbraw/zinc/81/08/89/677810889.db2.gz RWBCQJTYLUSXHN-MNOVXSKESA-N 1 1 311.338 -1.134 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc(OC)n1 ZINC001083605835 677810893 /nfs/dbraw/zinc/81/08/93/677810893.db2.gz RWBCQJTYLUSXHN-MNOVXSKESA-N 1 1 311.338 -1.134 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083609367 677811259 /nfs/dbraw/zinc/81/12/59/677811259.db2.gz RSYKSWWMGWUSDT-XWIASGKRSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H](O)C1 ZINC001083631042 677813097 /nfs/dbraw/zinc/81/30/97/677813097.db2.gz APMOTTDMCDUBMF-JLLWLGSASA-N 1 1 310.354 -1.179 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)n1 ZINC001083629516 677813127 /nfs/dbraw/zinc/81/31/27/677813127.db2.gz XJQJVMCMCMHEAO-OLZOCXBDSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)n1 ZINC001083629516 677813131 /nfs/dbraw/zinc/81/31/31/677813131.db2.gz XJQJVMCMCMHEAO-OLZOCXBDSA-N 1 1 312.370 -1.049 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)CC2 ZINC001077433249 677813172 /nfs/dbraw/zinc/81/31/72/677813172.db2.gz RNFCGEWZGMIYGW-YNEHKIRRSA-N 1 1 323.397 -1.307 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H](O)C1 ZINC001083629887 677813256 /nfs/dbraw/zinc/81/32/56/677813256.db2.gz QPLLSSIEVVOGBN-QNSHHTMESA-N 1 1 306.326 -1.491 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001077434797 677813670 /nfs/dbraw/zinc/81/36/70/677813670.db2.gz ZPXPCUVUAKQHNL-QJPTWQEYSA-N 1 1 307.354 -1.063 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)cc1=O ZINC001083643428 677815132 /nfs/dbraw/zinc/81/51/32/677815132.db2.gz IOIQWJPVHRDJRR-XRNSZHNASA-N 1 1 311.338 -1.461 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cc1=O ZINC001083643428 677815136 /nfs/dbraw/zinc/81/51/36/677815136.db2.gz IOIQWJPVHRDJRR-XRNSZHNASA-N 1 1 311.338 -1.461 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cc1=O ZINC001083643574 677815465 /nfs/dbraw/zinc/81/54/65/677815465.db2.gz PDZVDLNOMQVXOL-PWSUYJOCSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC001083643574 677815467 /nfs/dbraw/zinc/81/54/67/677815467.db2.gz PDZVDLNOMQVXOL-PWSUYJOCSA-N 1 1 311.338 -1.459 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001083645517 677815763 /nfs/dbraw/zinc/81/57/63/677815763.db2.gz FCHWGUABIRNKJD-NEPJUHHUSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083645505 677816014 /nfs/dbraw/zinc/81/60/14/677816014.db2.gz DQYGYADCZJGUAM-OLZOCXBDSA-N 1 1 321.381 -1.415 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083645930 677816106 /nfs/dbraw/zinc/81/61/06/677816106.db2.gz BUVKCBWSMRTQIA-MNOVXSKESA-N 1 1 321.399 -2.434 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645133 677816176 /nfs/dbraw/zinc/81/61/76/677816176.db2.gz MNKHWOQNFIBWST-UTUOFQBUSA-N 1 1 309.370 -1.513 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCc2nncn2CC1 ZINC001083653059 677817198 /nfs/dbraw/zinc/81/71/98/677817198.db2.gz SRVKCRXNGOFYRC-UTUOFQBUSA-N 1 1 309.370 -1.616 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083654149 677817660 /nfs/dbraw/zinc/81/76/60/677817660.db2.gz YRBFLKGBKYBFRB-FOGDFJRCSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083654072 677817781 /nfs/dbraw/zinc/81/77/81/677817781.db2.gz VDVZQNSNCAZISI-FOGDFJRCSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1coc2c1C(=O)NCCC2 ZINC001083657688 677819377 /nfs/dbraw/zinc/81/93/77/677819377.db2.gz MIZLGCGHSZSSTF-MNOVXSKESA-N 1 1 323.349 -1.277 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1coc2c1C(=O)NCCC2 ZINC001083657688 677819380 /nfs/dbraw/zinc/81/93/80/677819380.db2.gz MIZLGCGHSZSSTF-MNOVXSKESA-N 1 1 323.349 -1.277 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001083663204 677819449 /nfs/dbraw/zinc/81/94/49/677819449.db2.gz CSCHEKIUIVOWBM-IEECTRCBSA-N 1 1 300.355 -1.809 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001083663204 677819454 /nfs/dbraw/zinc/81/94/54/677819454.db2.gz CSCHEKIUIVOWBM-IEECTRCBSA-N 1 1 300.355 -1.809 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083662702 677819463 /nfs/dbraw/zinc/81/94/63/677819463.db2.gz GKZHFSAYMITXGL-UTUOFQBUSA-N 1 1 309.370 -1.697 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)CC2 ZINC001083662979 677819480 /nfs/dbraw/zinc/81/94/80/677819480.db2.gz RNFCGEWZGMIYGW-XQQFMLRXSA-N 1 1 323.397 -1.307 20 0 DAADMO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992916 677821291 /nfs/dbraw/zinc/82/12/91/677821291.db2.gz OIPQWUVENOYSGS-HUBLWGQQSA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992916 677821294 /nfs/dbraw/zinc/82/12/94/677821294.db2.gz OIPQWUVENOYSGS-HUBLWGQQSA-N 1 1 312.414 -1.103 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000913180547 677822277 /nfs/dbraw/zinc/82/22/77/677822277.db2.gz YNRHXVRALJBDKH-UHFFFAOYSA-N 1 1 306.432 -1.465 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000913179576 677822428 /nfs/dbraw/zinc/82/24/28/677822428.db2.gz JIKXLTLBKBEVIR-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(CO)COCCN1)[C@H]1CCSC1 ZINC000913183358 677823030 /nfs/dbraw/zinc/82/30/30/677823030.db2.gz PKJPKZHRQZFMCQ-AAEUAGOBSA-N 1 1 303.428 -1.109 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1CO ZINC000913548705 677824772 /nfs/dbraw/zinc/82/47/72/677824772.db2.gz RKEKAYSMVRPADI-NSHDSACASA-N 1 1 305.338 -1.369 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@H]1CO ZINC000913548705 677824777 /nfs/dbraw/zinc/82/47/77/677824777.db2.gz RKEKAYSMVRPADI-NSHDSACASA-N 1 1 305.338 -1.369 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1CO ZINC000913548704 677824989 /nfs/dbraw/zinc/82/49/89/677824989.db2.gz RKEKAYSMVRPADI-LLVKDONJSA-N 1 1 305.338 -1.369 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)C[C@@H]1CO ZINC000913548704 677824992 /nfs/dbraw/zinc/82/49/92/677824992.db2.gz RKEKAYSMVRPADI-LLVKDONJSA-N 1 1 305.338 -1.369 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c([C@@H]2CCOC2)n1 ZINC001083675363 677825006 /nfs/dbraw/zinc/82/50/06/677825006.db2.gz YLAIVKODCUHZCY-RTXFEEFZSA-N 1 1 324.381 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c([C@@H]2CCOC2)n1 ZINC001083675363 677825010 /nfs/dbraw/zinc/82/50/10/677825010.db2.gz YLAIVKODCUHZCY-RTXFEEFZSA-N 1 1 324.381 -1.309 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030029825 677825342 /nfs/dbraw/zinc/82/53/42/677825342.db2.gz CHTYCNSRBAYWDC-HBNTYKKESA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030029825 677825346 /nfs/dbraw/zinc/82/53/46/677825346.db2.gz CHTYCNSRBAYWDC-HBNTYKKESA-N 1 1 322.365 -1.349 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1CO ZINC000913552522 677825546 /nfs/dbraw/zinc/82/55/46/677825546.db2.gz POVXUBQVZXFRBL-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1CO ZINC000913552522 677825548 /nfs/dbraw/zinc/82/55/48/677825548.db2.gz POVXUBQVZXFRBL-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1CO ZINC000913552523 677825589 /nfs/dbraw/zinc/82/55/89/677825589.db2.gz POVXUBQVZXFRBL-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)C[C@H]1CO ZINC000913552523 677825593 /nfs/dbraw/zinc/82/55/93/677825593.db2.gz POVXUBQVZXFRBL-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991489613 677826146 /nfs/dbraw/zinc/82/61/46/677826146.db2.gz WFHYRFBQXIDGEQ-VHSXEESVSA-N 1 1 309.326 -2.245 20 0 DAADMO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077447653 677826787 /nfs/dbraw/zinc/82/67/87/677826787.db2.gz HMPXPAGPNFDNMR-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077447653 677826790 /nfs/dbraw/zinc/82/67/90/677826790.db2.gz HMPXPAGPNFDNMR-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnon3)C2)C1 ZINC001040668432 677830572 /nfs/dbraw/zinc/83/05/72/677830572.db2.gz LGWQDBJNMWSYHD-HZMBPMFUSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cnco1 ZINC001077475506 677830935 /nfs/dbraw/zinc/83/09/35/677830935.db2.gz DIDYHWYGNMOKJM-IJLUTSLNSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cnco1 ZINC001077475506 677830938 /nfs/dbraw/zinc/83/09/38/677830938.db2.gz DIDYHWYGNMOKJM-IJLUTSLNSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(-n2cncn2)nc1 ZINC001077478665 677831028 /nfs/dbraw/zinc/83/10/28/677831028.db2.gz MFPUZQSNUWTJED-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(-n2cncn2)nc1 ZINC001077478665 677831031 /nfs/dbraw/zinc/83/10/31/677831031.db2.gz MFPUZQSNUWTJED-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077481727 677831452 /nfs/dbraw/zinc/83/14/52/677831452.db2.gz CISLMTZXVIBOFG-GHMZBOCLSA-N 1 1 321.337 -2.350 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001046007036 677831793 /nfs/dbraw/zinc/83/17/93/677831793.db2.gz AFBQQPUHRFOQHG-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn2cccnc12 ZINC001077493955 677831853 /nfs/dbraw/zinc/83/18/53/677831853.db2.gz SAJOFWKIBUGBKU-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001046007042 677832125 /nfs/dbraw/zinc/83/21/25/677832125.db2.gz AFBQQPUHRFOQHG-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 ZINC001077496307 677832574 /nfs/dbraw/zinc/83/25/74/677832574.db2.gz QGCXTHABQRRAIR-LERXQTSPSA-N 1 1 321.377 -1.130 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001077498382 677832592 /nfs/dbraw/zinc/83/25/92/677832592.db2.gz HBYMLNFCICSAMK-GHMZBOCLSA-N 1 1 308.338 -1.329 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501559 677833400 /nfs/dbraw/zinc/83/34/00/677833400.db2.gz BPLRZFJSAKUGOM-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506859 677833983 /nfs/dbraw/zinc/83/39/83/677833983.db2.gz NDRNHGTXQLHBHR-JHJVBQTASA-N 1 1 321.381 -1.474 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506859 677833988 /nfs/dbraw/zinc/83/39/88/677833988.db2.gz NDRNHGTXQLHBHR-JHJVBQTASA-N 1 1 321.381 -1.474 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508241 677834707 /nfs/dbraw/zinc/83/47/07/677834707.db2.gz RAPTVPMJURDSNO-YNEHKIRRSA-N 1 1 312.414 -1.374 20 0 DAADMO CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1 ZINC001077508393 677834779 /nfs/dbraw/zinc/83/47/79/677834779.db2.gz YICPFXOXGIARCK-NWINJMCUSA-N 1 1 324.425 -1.374 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)NC1=O ZINC001077510411 677834808 /nfs/dbraw/zinc/83/48/08/677834808.db2.gz UDPACQIQNKEGOJ-OUAUKWLOSA-N 1 1 323.357 -2.537 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)NC1=O ZINC001077510411 677834810 /nfs/dbraw/zinc/83/48/10/677834810.db2.gz UDPACQIQNKEGOJ-OUAUKWLOSA-N 1 1 323.357 -2.537 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512326 677835229 /nfs/dbraw/zinc/83/52/29/677835229.db2.gz AKTJQGBUDWLDOI-IJLUTSLNSA-N 1 1 307.354 -1.820 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)c[nH]c1=O ZINC001077513941 677835866 /nfs/dbraw/zinc/83/58/66/677835866.db2.gz KJYCWFRKDSCIPN-MWLCHTKSSA-N 1 1 321.341 -1.808 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c[nH]c1=O ZINC001077513941 677835869 /nfs/dbraw/zinc/83/58/69/677835869.db2.gz KJYCWFRKDSCIPN-MWLCHTKSSA-N 1 1 321.341 -1.808 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512975 677835968 /nfs/dbraw/zinc/83/59/68/677835968.db2.gz UWBCDNGAVHOUKO-QJPTWQEYSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512975 677835972 /nfs/dbraw/zinc/83/59/72/677835972.db2.gz UWBCDNGAVHOUKO-QJPTWQEYSA-N 1 1 324.406 -1.017 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c1C ZINC001083689423 677836213 /nfs/dbraw/zinc/83/62/13/677836213.db2.gz SXETTWQPNVIQDD-FXAINCCUSA-N 1 1 324.381 -1.447 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@@H](O)C1 ZINC001083689232 677836551 /nfs/dbraw/zinc/83/65/51/677836551.db2.gz JOVGFVPGCKVOFG-NEPJUHHUSA-N 1 1 324.381 -1.182 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3cccnc23)[C@@H](O)C1 ZINC001083690201 677836623 /nfs/dbraw/zinc/83/66/23/677836623.db2.gz HFTQGQCSGCWMDS-JLLWLGSASA-N 1 1 305.338 -1.115 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083692143 677837133 /nfs/dbraw/zinc/83/71/33/677837133.db2.gz YSNQSAZKOFADSR-NEPJUHHUSA-N 1 1 319.369 -1.136 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083692143 677837136 /nfs/dbraw/zinc/83/71/36/677837136.db2.gz YSNQSAZKOFADSR-NEPJUHHUSA-N 1 1 319.369 -1.136 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697291 677837470 /nfs/dbraw/zinc/83/74/70/677837470.db2.gz PTISNNITCOHWPX-OLZOCXBDSA-N 1 1 312.414 -1.374 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)NC1=O ZINC001083696975 677837563 /nfs/dbraw/zinc/83/75/63/677837563.db2.gz ZNFQOLBCDVPZKQ-UTUOFQBUSA-N 1 1 322.369 -1.932 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)NC1=O ZINC001083696975 677837566 /nfs/dbraw/zinc/83/75/66/677837566.db2.gz ZNFQOLBCDVPZKQ-UTUOFQBUSA-N 1 1 322.369 -1.932 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC001083695372 677837713 /nfs/dbraw/zinc/83/77/13/677837713.db2.gz WWSKBQJCBYMSBP-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1(n2cnnn2)CCCCC1 ZINC001083694845 677837905 /nfs/dbraw/zinc/83/79/05/677837905.db2.gz VLYHSBQQNSVFDU-NEPJUHHUSA-N 1 1 324.385 -1.514 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1(n2cnnn2)CCCCC1 ZINC001083694845 677837908 /nfs/dbraw/zinc/83/79/08/677837908.db2.gz VLYHSBQQNSVFDU-NEPJUHHUSA-N 1 1 324.385 -1.514 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695051 677837995 /nfs/dbraw/zinc/83/79/95/677837995.db2.gz GNKWGEVIEYOARK-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695051 677837997 /nfs/dbraw/zinc/83/79/97/677837997.db2.gz GNKWGEVIEYOARK-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697377 677838541 /nfs/dbraw/zinc/83/85/41/677838541.db2.gz UJVBLWGMROBFND-OLZOCXBDSA-N 1 1 310.398 -1.454 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)c[nH]c1=O ZINC001083699714 677839457 /nfs/dbraw/zinc/83/94/57/677839457.db2.gz KJYCWFRKDSCIPN-KOLCDFICSA-N 1 1 321.341 -1.808 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c[nH]c1=O ZINC001083699714 677839459 /nfs/dbraw/zinc/83/94/59/677839459.db2.gz KJYCWFRKDSCIPN-KOLCDFICSA-N 1 1 321.341 -1.808 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)n1 ZINC001083706043 677840949 /nfs/dbraw/zinc/84/09/49/677840949.db2.gz IGGXQDSXBVEWAJ-AXFHLTTASA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)n1 ZINC001083706043 677840952 /nfs/dbraw/zinc/84/09/52/677840952.db2.gz IGGXQDSXBVEWAJ-AXFHLTTASA-N 1 1 324.385 -1.200 20 0 DAADMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1)C1CCC1 ZINC001083706338 677841467 /nfs/dbraw/zinc/84/14/67/677841467.db2.gz WFLKEAMVWYHUAQ-WOPDTQHZSA-N 1 1 324.385 -1.200 20 0 DAADMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1)C1CCC1 ZINC001083706337 677841833 /nfs/dbraw/zinc/84/18/33/677841833.db2.gz WFLKEAMVWYHUAQ-GRYCIOLGSA-N 1 1 324.385 -1.200 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040747725 677843228 /nfs/dbraw/zinc/84/32/28/677843228.db2.gz UZUMXVRITSEFSE-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)n1 ZINC001077526262 677843325 /nfs/dbraw/zinc/84/33/25/677843325.db2.gz CQLIOIHPOFCXIC-GHMZBOCLSA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)n1 ZINC001077526508 677843915 /nfs/dbraw/zinc/84/39/15/677843915.db2.gz MNLHMGIGQPFDIE-HBNTYKKESA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)n1 ZINC001077526508 677843917 /nfs/dbraw/zinc/84/39/17/677843917.db2.gz MNLHMGIGQPFDIE-HBNTYKKESA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077526477 677843995 /nfs/dbraw/zinc/84/39/95/677843995.db2.gz KXUQCOYOQWPXNC-HBNTYKKESA-N 1 1 310.358 -1.588 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083711338 677844528 /nfs/dbraw/zinc/84/45/28/677844528.db2.gz FHWBFUAPJDTCPC-FHUSYTEZSA-N 1 1 324.381 -1.935 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083711338 677844532 /nfs/dbraw/zinc/84/45/32/677844532.db2.gz FHWBFUAPJDTCPC-FHUSYTEZSA-N 1 1 324.381 -1.935 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077527551 677844903 /nfs/dbraw/zinc/84/49/03/677844903.db2.gz CXNRANJTAWDGJF-NNYUYHANSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077527551 677844907 /nfs/dbraw/zinc/84/49/07/677844907.db2.gz CXNRANJTAWDGJF-NNYUYHANSA-N 1 1 309.366 -1.047 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083719494 677847211 /nfs/dbraw/zinc/84/72/11/677847211.db2.gz GPFAPVIWUSEEMO-UPJWGTAASA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046588204 677847746 /nfs/dbraw/zinc/84/77/46/677847746.db2.gz OVORHBAAMWKTQC-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1=O ZINC001077534799 677848864 /nfs/dbraw/zinc/84/88/64/677848864.db2.gz KQHWFCOIMUCAED-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1=O ZINC001077534799 677848869 /nfs/dbraw/zinc/84/88/69/677848869.db2.gz KQHWFCOIMUCAED-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537659 677849904 /nfs/dbraw/zinc/84/99/04/677849904.db2.gz CILBYHXZOVJTOA-WZBKEBKWSA-N 1 1 323.393 -1.339 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537659 677849905 /nfs/dbraw/zinc/84/99/05/677849905.db2.gz CILBYHXZOVJTOA-WZBKEBKWSA-N 1 1 323.393 -1.339 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083731917 677850576 /nfs/dbraw/zinc/85/05/76/677850576.db2.gz UFHBMBMQGGVCNG-MNOVXSKESA-N 1 1 311.338 -1.535 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)[C@@H](O)C1 ZINC001083730419 677850637 /nfs/dbraw/zinc/85/06/37/677850637.db2.gz ZCUINPNKHUXSMN-QKCSRTOESA-N 1 1 323.397 -1.272 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001083731555 677850704 /nfs/dbraw/zinc/85/07/04/677850704.db2.gz DUSAONHIBDWFFA-MNOVXSKESA-N 1 1 311.338 -1.271 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001083731555 677850707 /nfs/dbraw/zinc/85/07/07/677850707.db2.gz DUSAONHIBDWFFA-MNOVXSKESA-N 1 1 311.338 -1.271 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734569 677851106 /nfs/dbraw/zinc/85/11/06/677851106.db2.gz LHQKIWUCZRSGDD-UHTWSYAYSA-N 1 1 322.365 -1.029 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)OC ZINC001083734480 677851186 /nfs/dbraw/zinc/85/11/86/677851186.db2.gz HMKXUYUJEIBLCY-WCQGTBRESA-N 1 1 310.354 -1.030 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1)OC ZINC001083734479 677851377 /nfs/dbraw/zinc/85/13/77/677851377.db2.gz HMKXUYUJEIBLCY-JLLWLGSASA-N 1 1 310.354 -1.030 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740461 677852307 /nfs/dbraw/zinc/85/23/07/677852307.db2.gz DXRGUESYPMGIOL-UTUOFQBUSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740623 677852507 /nfs/dbraw/zinc/85/25/07/677852507.db2.gz JJWZSPJJBPVMLR-BBBLOLIVSA-N 1 1 318.324 -1.126 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)[nH]c1=O ZINC001083752578 677856059 /nfs/dbraw/zinc/85/60/59/677856059.db2.gz BWSNWQGEAIPPOB-UMNHJUIQSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)=NC1=O ZINC001083752578 677856063 /nfs/dbraw/zinc/85/60/63/677856063.db2.gz BWSNWQGEAIPPOB-UMNHJUIQSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)=NC1=O ZINC001083752578 677856067 /nfs/dbraw/zinc/85/60/67/677856067.db2.gz BWSNWQGEAIPPOB-UMNHJUIQSA-N 1 1 310.354 -1.063 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000058504613 677857124 /nfs/dbraw/zinc/85/71/24/677857124.db2.gz AKRNLJHNILKTKR-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077553216 677857864 /nfs/dbraw/zinc/85/78/64/677857864.db2.gz GPFAPVIWUSEEMO-JHJVBQTASA-N 1 1 312.414 -1.245 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040902390 677859679 /nfs/dbraw/zinc/85/96/79/677859679.db2.gz RRKGBXQYGWIZRM-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047333481 677859831 /nfs/dbraw/zinc/85/98/31/677859831.db2.gz GGHVZWKYCILXOV-RWMBFGLXSA-N 1 1 301.387 -1.797 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047386003 677860476 /nfs/dbraw/zinc/86/04/76/677860476.db2.gz IRFAYGIAXOINPG-IUCAKERBSA-N 1 1 312.330 -3.127 20 0 DAADMO COCCn1nccc1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047422448 677860755 /nfs/dbraw/zinc/86/07/55/677860755.db2.gz SNGJCRRURYQECF-STQMWFEESA-N 1 1 312.370 -1.361 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001077576311 677861726 /nfs/dbraw/zinc/86/17/26/677861726.db2.gz JCHQAZZBZIKMEJ-GHMZBOCLSA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077577335 677862297 /nfs/dbraw/zinc/86/22/97/677862297.db2.gz BCXAJFVGUAVEOA-NXEZZACHSA-N 1 1 306.326 -1.870 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077577335 677862299 /nfs/dbraw/zinc/86/22/99/677862299.db2.gz BCXAJFVGUAVEOA-NXEZZACHSA-N 1 1 306.326 -1.870 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001083778557 677862474 /nfs/dbraw/zinc/86/24/74/677862474.db2.gz QBALUPBAWFOOKB-UTUOFQBUSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001083778758 677862582 /nfs/dbraw/zinc/86/25/82/677862582.db2.gz WZZCSFSUSDEWMA-UTUOFQBUSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083780220 677862635 /nfs/dbraw/zinc/86/26/35/677862635.db2.gz OJUGXLZDTYFKAH-MJBXVCDLSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077577671 677862650 /nfs/dbraw/zinc/86/26/50/677862650.db2.gz SAGICCDGWWBHCQ-GHMZBOCLSA-N 1 1 320.353 -1.479 20 0 DAADMO CC(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001040966086 677862717 /nfs/dbraw/zinc/86/27/17/677862717.db2.gz QSDVXWOFZCKFQR-OAHLLOKOSA-N 1 1 308.382 -1.111 20 0 DAADMO CC(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001040966086 677862721 /nfs/dbraw/zinc/86/27/21/677862721.db2.gz QSDVXWOFZCKFQR-OAHLLOKOSA-N 1 1 308.382 -1.111 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 ZINC001077577631 677862745 /nfs/dbraw/zinc/86/27/45/677862745.db2.gz QBGBDTGMZLGZFV-GHMZBOCLSA-N 1 1 320.353 -1.215 20 0 DAADMO Cn1c(=O)n2c(c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CCCC2 ZINC001083780898 677863381 /nfs/dbraw/zinc/86/33/81/677863381.db2.gz OIESDORNAQPHCF-PWSUYJOCSA-N 1 1 324.381 -1.710 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781316 677863477 /nfs/dbraw/zinc/86/34/77/677863477.db2.gz BUIYKFPCCGSHBF-TUAOUCFPSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)C1 ZINC001083780550 677863501 /nfs/dbraw/zinc/86/35/01/677863501.db2.gz CCELVXMNOGTLLM-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)C1 ZINC001083780549 677863581 /nfs/dbraw/zinc/86/35/81/677863581.db2.gz CCELVXMNOGTLLM-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619606 677865190 /nfs/dbraw/zinc/86/51/90/677865190.db2.gz RNFHEFSIOYINFE-UTLUCORTSA-N 1 1 314.342 -2.578 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)CC2 ZINC001077583640 677865233 /nfs/dbraw/zinc/86/52/33/677865233.db2.gz FSCMALIUWBTMNS-CYZMBNFOSA-N 1 1 321.381 -1.599 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCCc2nn[nH]c21 ZINC001077584857 677865294 /nfs/dbraw/zinc/86/52/94/677865294.db2.gz HIRGBYIQKNFJGF-YUSALJHKSA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001077584857 677865297 /nfs/dbraw/zinc/86/52/97/677865297.db2.gz HIRGBYIQKNFJGF-YUSALJHKSA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001077584857 677865301 /nfs/dbraw/zinc/86/53/01/677865301.db2.gz HIRGBYIQKNFJGF-YUSALJHKSA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586191 677865707 /nfs/dbraw/zinc/86/57/07/677865707.db2.gz LHQKIWUCZRSGDD-CYZMBNFOSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599540 677867826 /nfs/dbraw/zinc/86/78/26/677867826.db2.gz ZOVNYQYJAXWQSW-XLPZGREQSA-N 1 1 310.276 -1.219 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599540 677867830 /nfs/dbraw/zinc/86/78/30/677867830.db2.gz ZOVNYQYJAXWQSW-XLPZGREQSA-N 1 1 310.276 -1.219 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077651047 677871731 /nfs/dbraw/zinc/87/17/31/677871731.db2.gz PGXJIAOCEYYKMS-HTQZYQBOSA-N 1 1 319.343 -3.176 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077651047 677871732 /nfs/dbraw/zinc/87/17/32/677871732.db2.gz PGXJIAOCEYYKMS-HTQZYQBOSA-N 1 1 319.343 -3.176 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CCNC1=O ZINC001077666736 677872186 /nfs/dbraw/zinc/87/21/86/677872186.db2.gz BPQGDYFWIRFJDK-JMSVASOKSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CCNC1=O ZINC001077666736 677872188 /nfs/dbraw/zinc/87/21/88/677872188.db2.gz BPQGDYFWIRFJDK-JMSVASOKSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001077679218 677872705 /nfs/dbraw/zinc/87/27/05/677872705.db2.gz KJHSQLOLXDANOC-IACUBPJLSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001077675840 677872763 /nfs/dbraw/zinc/87/27/63/677872763.db2.gz ZZYDQXJCFAWMLM-MRVWCRGKSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)C1 ZINC001077678948 677872774 /nfs/dbraw/zinc/87/27/74/677872774.db2.gz CCELVXMNOGTLLM-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001077676928 677873033 /nfs/dbraw/zinc/87/30/33/677873033.db2.gz QBALUPBAWFOOKB-QJPTWQEYSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077675643 677873148 /nfs/dbraw/zinc/87/31/48/677873148.db2.gz UQEJBXZVAXQPLM-BFHYXJOUSA-N 1 1 322.413 -1.076 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077675504 677873301 /nfs/dbraw/zinc/87/33/01/677873301.db2.gz PIAVAAOLJUAHML-IACUBPJLSA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077686264 677873712 /nfs/dbraw/zinc/87/37/12/677873712.db2.gz FGPJPDJIIXQODQ-YVECIDJPSA-N 1 1 321.381 -1.755 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2nnc3c2CCCC3)[C@@H](O)C1 ZINC001083785560 677874107 /nfs/dbraw/zinc/87/41/07/677874107.db2.gz HVWDBENPPLDJLF-QKCSRTOESA-N 1 1 323.397 -1.301 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077693286 677875106 /nfs/dbraw/zinc/87/51/06/677875106.db2.gz KMZUWGWECWLTFF-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077693286 677875109 /nfs/dbraw/zinc/87/51/09/677875109.db2.gz KMZUWGWECWLTFF-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC001077704408 677875520 /nfs/dbraw/zinc/87/55/20/677875520.db2.gz RZTYOYYAXJJHEX-VXGBXAGGSA-N 1 1 308.338 -1.744 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC001077704408 677875521 /nfs/dbraw/zinc/87/55/21/677875521.db2.gz RZTYOYYAXJJHEX-VXGBXAGGSA-N 1 1 308.338 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753401 677878557 /nfs/dbraw/zinc/87/85/57/677878557.db2.gz CYEDFNDBLBXAMZ-QJPTWQEYSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753552 677878730 /nfs/dbraw/zinc/87/87/30/677878730.db2.gz MBSWCBZQWMVODZ-DJLDLDEBSA-N 1 1 302.306 -1.895 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077754704 677878984 /nfs/dbraw/zinc/87/89/84/677878984.db2.gz OWFWAOWRJNVETN-DJLDLDEBSA-N 1 1 300.315 -2.872 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077758659 677879332 /nfs/dbraw/zinc/87/93/32/677879332.db2.gz APBRCAFGCTYDJS-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077758659 677879336 /nfs/dbraw/zinc/87/93/36/677879336.db2.gz APBRCAFGCTYDJS-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077776068 677880693 /nfs/dbraw/zinc/88/06/93/677880693.db2.gz CAZMZGLUXMLTLZ-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077776068 677880696 /nfs/dbraw/zinc/88/06/96/677880696.db2.gz CAZMZGLUXMLTLZ-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077772146 677880778 /nfs/dbraw/zinc/88/07/78/677880778.db2.gz NZLZLVGAZAVLRH-MWLCHTKSSA-N 1 1 322.325 -2.955 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 ZINC001083788480 677881336 /nfs/dbraw/zinc/88/13/36/677881336.db2.gz AUTZWXRPOGOPFA-MXWKQRLJSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc(C2CC2)[nH]c1=O ZINC001077793858 677881493 /nfs/dbraw/zinc/88/14/93/677881493.db2.gz QKHRNJUTIPNQDE-GHMZBOCLSA-N 1 1 308.338 -1.173 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001077792681 677881518 /nfs/dbraw/zinc/88/15/18/677881518.db2.gz WERIQGKTGGBXDT-FRRDWIJNSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001077792681 677881521 /nfs/dbraw/zinc/88/15/21/677881521.db2.gz WERIQGKTGGBXDT-FRRDWIJNSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1nccn2ccnc12 ZINC001083788933 677882207 /nfs/dbraw/zinc/88/22/07/677882207.db2.gz YSJYAPOKTVEYQE-MNOVXSKESA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001077810592 677882756 /nfs/dbraw/zinc/88/27/56/677882756.db2.gz FCHCEWSXUWVYAW-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001077810592 677882758 /nfs/dbraw/zinc/88/27/58/677882758.db2.gz FCHCEWSXUWVYAW-GHMZBOCLSA-N 1 1 322.369 -1.482 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001077817328 677883619 /nfs/dbraw/zinc/88/36/19/677883619.db2.gz ZPJKRLXIJMVEBI-GHMZBOCLSA-N 1 1 310.358 -1.640 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001077821834 677884769 /nfs/dbraw/zinc/88/47/69/677884769.db2.gz JBOAENVLUQDNLU-AAVRWANBSA-N 1 1 324.381 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001077821834 677884772 /nfs/dbraw/zinc/88/47/72/677884772.db2.gz JBOAENVLUQDNLU-AAVRWANBSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001077826304 677885356 /nfs/dbraw/zinc/88/53/56/677885356.db2.gz CCSKZDKGSDLMAH-JMJZKYOTSA-N 1 1 321.337 -1.409 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679089 677885947 /nfs/dbraw/zinc/88/59/47/677885947.db2.gz PNRNIFZLQUFMBR-VXGBXAGGSA-N 1 1 323.397 -1.132 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077827758 677886695 /nfs/dbraw/zinc/88/66/95/677886695.db2.gz GRPAZHCSDNWLCU-QJPTWQEYSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077827758 677886698 /nfs/dbraw/zinc/88/66/98/677886698.db2.gz GRPAZHCSDNWLCU-QJPTWQEYSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077827757 677886738 /nfs/dbraw/zinc/88/67/38/677886738.db2.gz GRPAZHCSDNWLCU-IJLUTSLNSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077827757 677886740 /nfs/dbraw/zinc/88/67/40/677886740.db2.gz GRPAZHCSDNWLCU-IJLUTSLNSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001077829016 677886790 /nfs/dbraw/zinc/88/67/90/677886790.db2.gz NXBONWMZNMVCEJ-VXNVDRBHSA-N 1 1 324.366 -1.305 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001077829016 677886794 /nfs/dbraw/zinc/88/67/94/677886794.db2.gz NXBONWMZNMVCEJ-VXNVDRBHSA-N 1 1 324.366 -1.305 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001077829594 677886884 /nfs/dbraw/zinc/88/68/84/677886884.db2.gz HXQNPYSOJTWUAN-NXEZZACHSA-N 1 1 307.310 -1.798 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001077834150 677888020 /nfs/dbraw/zinc/88/80/20/677888020.db2.gz FQJHMYAITAOPGU-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001077834150 677888023 /nfs/dbraw/zinc/88/80/23/677888023.db2.gz FQJHMYAITAOPGU-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083794658 677889356 /nfs/dbraw/zinc/88/93/56/677889356.db2.gz GRSKRYCTLZRKHX-JLLWLGSASA-N 1 1 324.381 -1.493 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C2CC(N(C)C(=O)C(N)=O)C2)n1 ZINC000999335007 677889589 /nfs/dbraw/zinc/88/95/89/677889589.db2.gz STVZPBQRCABFEK-UHFFFAOYSA-N 1 1 324.341 -2.078 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999711718 677891859 /nfs/dbraw/zinc/89/18/59/677891859.db2.gz BKZOAKUVMISGFE-RTBKNWGFSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999892513 677892463 /nfs/dbraw/zinc/89/24/63/677892463.db2.gz WLTZMXWSDSGMAA-GXSJLCMTSA-N 1 1 322.369 -1.492 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000999890176 677892593 /nfs/dbraw/zinc/89/25/93/677892593.db2.gz LGRXQEGIIYUODU-MNOVXSKESA-N 1 1 321.385 -1.081 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)o1 ZINC001077842575 677892908 /nfs/dbraw/zinc/89/29/08/677892908.db2.gz XXGLIZVINPXUIC-VXGBXAGGSA-N 1 1 311.338 -1.317 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)o1 ZINC001077842575 677892909 /nfs/dbraw/zinc/89/29/09/677892909.db2.gz XXGLIZVINPXUIC-VXGBXAGGSA-N 1 1 311.338 -1.317 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000999861556 677892920 /nfs/dbraw/zinc/89/29/20/677892920.db2.gz AASMVZPKSDHLJV-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867565 677893778 /nfs/dbraw/zinc/89/37/78/677893778.db2.gz UBOIUQBXCFMGEK-GMTAPVOTSA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccncn1 ZINC001077865741 677894036 /nfs/dbraw/zinc/89/40/36/677894036.db2.gz FJMARCPCPDLTNS-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccncn1 ZINC001077865741 677894039 /nfs/dbraw/zinc/89/40/39/677894039.db2.gz FJMARCPCPDLTNS-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867267 677894105 /nfs/dbraw/zinc/89/41/05/677894105.db2.gz IKRITLUGFHJMOK-GMTAPVOTSA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867267 677894107 /nfs/dbraw/zinc/89/41/07/677894107.db2.gz IKRITLUGFHJMOK-GMTAPVOTSA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001077867084 677894133 /nfs/dbraw/zinc/89/41/33/677894133.db2.gz ACNWYHRVOOKCEJ-NXEZZACHSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001077867084 677894135 /nfs/dbraw/zinc/89/41/35/677894135.db2.gz ACNWYHRVOOKCEJ-NXEZZACHSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cnon1 ZINC001077870831 677894139 /nfs/dbraw/zinc/89/41/39/677894139.db2.gz PECJDHYSPULIQX-MVWJERBFSA-N 1 1 322.325 -1.898 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cnon1 ZINC001077870831 677894140 /nfs/dbraw/zinc/89/41/40/677894140.db2.gz PECJDHYSPULIQX-MVWJERBFSA-N 1 1 322.325 -1.898 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001077869139 677894171 /nfs/dbraw/zinc/89/41/71/677894171.db2.gz QBCICKNWHHFYFE-VXGBXAGGSA-N 1 1 306.326 -1.179 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001077869139 677894172 /nfs/dbraw/zinc/89/41/72/677894172.db2.gz QBCICKNWHHFYFE-VXGBXAGGSA-N 1 1 306.326 -1.179 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)ccc1=O ZINC001077857037 677894344 /nfs/dbraw/zinc/89/43/44/677894344.db2.gz WOSOJOXESTZIAG-MVWJERBFSA-N 1 1 310.354 -1.581 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001077856641 677894504 /nfs/dbraw/zinc/89/45/04/677894504.db2.gz CKOPEFMTPMYOTJ-VXGBXAGGSA-N 1 1 310.354 -1.580 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cccnn1 ZINC001077881235 677894572 /nfs/dbraw/zinc/89/45/72/677894572.db2.gz LOPORVMLZNPFDB-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cccnn1 ZINC001077881235 677894574 /nfs/dbraw/zinc/89/45/74/677894574.db2.gz LOPORVMLZNPFDB-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077885933 677895057 /nfs/dbraw/zinc/89/50/57/677895057.db2.gz GXCJHUYOEHORSR-NXEZZACHSA-N 1 1 312.326 -2.108 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077894058 677896815 /nfs/dbraw/zinc/89/68/15/677896815.db2.gz SRFLFKFVFSRZMX-VXGBXAGGSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077894058 677896818 /nfs/dbraw/zinc/89/68/18/677896818.db2.gz SRFLFKFVFSRZMX-VXGBXAGGSA-N 1 1 321.381 -1.264 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000114537 677897023 /nfs/dbraw/zinc/89/70/23/677897023.db2.gz CXCIJZZNRIVSND-CMPLNLGQSA-N 1 1 306.370 -1.197 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077902958 677897880 /nfs/dbraw/zinc/89/78/80/677897880.db2.gz DMJGIICLEYMNRR-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001077909253 677898891 /nfs/dbraw/zinc/89/88/91/677898891.db2.gz QHRAYTFVKUCHKY-UFGOTCBOSA-N 1 1 309.370 -1.156 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077953642 677900221 /nfs/dbraw/zinc/90/02/21/677900221.db2.gz IJYQRIBOUJXJAN-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077953955 677900321 /nfs/dbraw/zinc/90/03/21/677900321.db2.gz VPAAVHFVXHZUBQ-NXEZZACHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077954727 677900392 /nfs/dbraw/zinc/90/03/92/677900392.db2.gz CAGIYWWXUDCACP-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001077959969 677900924 /nfs/dbraw/zinc/90/09/24/677900924.db2.gz ALMFFIAVRKPSJD-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001077960487 677900962 /nfs/dbraw/zinc/90/09/62/677900962.db2.gz WZTUEODVGYPCIR-VXGBXAGGSA-N 1 1 323.397 -1.049 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077976586 677901611 /nfs/dbraw/zinc/90/16/11/677901611.db2.gz LSWWXGYJHGCQPC-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077976586 677901615 /nfs/dbraw/zinc/90/16/15/677901615.db2.gz LSWWXGYJHGCQPC-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077976586 677901619 /nfs/dbraw/zinc/90/16/19/677901619.db2.gz LSWWXGYJHGCQPC-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077976620 677901882 /nfs/dbraw/zinc/90/18/82/677901882.db2.gz NJOPRCVOECLEQY-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077976620 677901888 /nfs/dbraw/zinc/90/18/88/677901888.db2.gz NJOPRCVOECLEQY-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077976620 677901891 /nfs/dbraw/zinc/90/18/91/677901891.db2.gz NJOPRCVOECLEQY-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001077981144 677902266 /nfs/dbraw/zinc/90/22/66/677902266.db2.gz ANJNDSQBBDQQES-IJLUTSLNSA-N 1 1 314.386 -1.273 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077981586 677902326 /nfs/dbraw/zinc/90/23/26/677902326.db2.gz TVGWPMLZWYLDPG-GRYCIOLGSA-N 1 1 314.386 -1.537 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001077994642 677902338 /nfs/dbraw/zinc/90/23/38/677902338.db2.gz TUZZFLCHKKIKRQ-ZYHUDNBSSA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001077994642 677902342 /nfs/dbraw/zinc/90/23/42/677902342.db2.gz TUZZFLCHKKIKRQ-ZYHUDNBSSA-N 1 1 320.353 -1.146 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994421 677902392 /nfs/dbraw/zinc/90/23/92/677902392.db2.gz HZEXDTYNCIFZLO-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001077994327 677902478 /nfs/dbraw/zinc/90/24/78/677902478.db2.gz CDOKHZJSUWYYNT-GHMZBOCLSA-N 1 1 310.354 -1.548 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001077999470 677902873 /nfs/dbraw/zinc/90/28/73/677902873.db2.gz MEYVJVWXTGAFEC-NXEZZACHSA-N 1 1 324.316 -1.448 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001078012131 677904255 /nfs/dbraw/zinc/90/42/55/677904255.db2.gz WPKIVQKODGVFRE-VXGBXAGGSA-N 1 1 320.397 -1.130 20 0 DAADMO O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078082422 677907674 /nfs/dbraw/zinc/90/76/74/677907674.db2.gz LMXVQBMOJYPCQO-JHJVBQTASA-N 1 1 313.398 -1.021 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001078090589 677907971 /nfs/dbraw/zinc/90/79/71/677907971.db2.gz WZYADNRFXCMYFQ-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001043119132 677907993 /nfs/dbraw/zinc/90/79/93/677907993.db2.gz VUDYUGDBPIIEHQ-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001043119131 677908180 /nfs/dbraw/zinc/90/81/80/677908180.db2.gz VUDYUGDBPIIEHQ-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001078094400 677909219 /nfs/dbraw/zinc/90/92/19/677909219.db2.gz SETWLJBLUZTLQX-HBNTYKKESA-N 1 1 311.386 -1.227 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c(=O)n1C ZINC001078100661 677909601 /nfs/dbraw/zinc/90/96/01/677909601.db2.gz JVVVPZJVOOSIRA-GHMZBOCLSA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)n1C ZINC001078105925 677909760 /nfs/dbraw/zinc/90/97/60/677909760.db2.gz YTTRZTGZAOVSMK-GHMZBOCLSA-N 1 1 313.358 -2.566 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001078105521 677909774 /nfs/dbraw/zinc/90/97/74/677909774.db2.gz DDPPZCFDHLEIEB-VXGBXAGGSA-N 1 1 311.386 -1.148 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078104724 677909818 /nfs/dbraw/zinc/90/98/18/677909818.db2.gz SJMGLIBQELFVJT-UTUOFQBUSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078104724 677909822 /nfs/dbraw/zinc/90/98/22/677909822.db2.gz SJMGLIBQELFVJT-UTUOFQBUSA-N 1 1 301.343 -2.613 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(=O)n1C ZINC001078100890 677909864 /nfs/dbraw/zinc/90/98/64/677909864.db2.gz SGZSFDGSXCNGTB-JMJZKYOTSA-N 1 1 313.358 -2.568 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078104840 677909876 /nfs/dbraw/zinc/90/98/76/677909876.db2.gz YAKRHQSPNQELOJ-MGPQQGTHSA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001078104839 677909909 /nfs/dbraw/zinc/90/99/09/677909909.db2.gz YAKRHQSPNQELOJ-MCIONIFRSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001078116067 677910321 /nfs/dbraw/zinc/91/03/21/677910321.db2.gz IVDZDXVCVDTJGN-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1)OC ZINC001078134096 677912579 /nfs/dbraw/zinc/91/25/79/677912579.db2.gz GWPCKAIHIGIGIR-CYZMBNFOSA-N 1 1 324.381 -1.020 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@H]3O)nn21 ZINC001078123396 677912968 /nfs/dbraw/zinc/91/29/68/677912968.db2.gz QOIRTCNOTXXQOL-HBNTYKKESA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@H]3O)nn21 ZINC001078123396 677912972 /nfs/dbraw/zinc/91/29/72/677912972.db2.gz QOIRTCNOTXXQOL-HBNTYKKESA-N 1 1 320.353 -1.412 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001078150724 677913399 /nfs/dbraw/zinc/91/33/99/677913399.db2.gz NKQBUXVJNLDFRO-ZIAGYGMSSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)cn1 ZINC001078139776 677913407 /nfs/dbraw/zinc/91/34/07/677913407.db2.gz HCVNYUGLTQTCDY-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001078140066 677913422 /nfs/dbraw/zinc/91/34/22/677913422.db2.gz VZMUYJVMYHCFMI-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144528 677914110 /nfs/dbraw/zinc/91/41/10/677914110.db2.gz UEVUXKQIECOSHR-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1=O ZINC001078144221 677914366 /nfs/dbraw/zinc/91/43/66/677914366.db2.gz FHRJJNQEVYMIMI-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078164079 677914580 /nfs/dbraw/zinc/91/45/80/677914580.db2.gz AINBCKBCHDBXRO-NXEZZACHSA-N 1 1 301.368 -1.628 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1=O ZINC001078146338 677914601 /nfs/dbraw/zinc/91/46/01/677914601.db2.gz BSDZXCBMYYCIII-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001078155985 677914708 /nfs/dbraw/zinc/91/47/08/677914708.db2.gz MGYNGAZVFJHTBZ-YUSALJHKSA-N 1 1 314.386 -1.681 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)CC1 ZINC001078154292 677914931 /nfs/dbraw/zinc/91/49/31/677914931.db2.gz UVKVMKHJJNQKRE-ZLKJLUDKSA-N 1 1 313.398 -1.213 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)ccc1=O ZINC001078160225 677915688 /nfs/dbraw/zinc/91/56/88/677915688.db2.gz PORSYPWYSDXZPR-RAIGVLPGSA-N 1 1 324.381 -1.191 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c(=O)[nH]c1=O ZINC001078169898 677916431 /nfs/dbraw/zinc/91/64/31/677916431.db2.gz LILIYIDNOCFQBY-GHMZBOCLSA-N 1 1 308.338 -1.329 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1 ZINC001078165044 677916486 /nfs/dbraw/zinc/91/64/86/677916486.db2.gz NPHMEOZTIWIKNG-CHWSQXEVSA-N 1 1 307.350 -1.057 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001078174081 677916922 /nfs/dbraw/zinc/91/69/22/677916922.db2.gz AUEQJJWONXPYSQ-QJPTWQEYSA-N 1 1 309.370 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCN3CCCC3=O)C[C@H]2O)C1 ZINC001078174528 677916954 /nfs/dbraw/zinc/91/69/54/677916954.db2.gz OFQQMUWSVDEGGG-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001078183411 677916985 /nfs/dbraw/zinc/91/69/85/677916985.db2.gz PKRJEKLPLGZPAV-VXGBXAGGSA-N 1 1 319.369 -1.318 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174852 677917026 /nfs/dbraw/zinc/91/70/26/677917026.db2.gz URYNMMYYDDXKSS-RAIGVLPGSA-N 1 1 308.386 -1.572 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001078183445 677917130 /nfs/dbraw/zinc/91/71/30/677917130.db2.gz QVYMSRCHRMDWQF-VXGBXAGGSA-N 1 1 309.370 -1.559 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001078174175 677917147 /nfs/dbraw/zinc/91/71/47/677917147.db2.gz DBWPOLZTAOTYBG-QJPTWQEYSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001078174175 677917149 /nfs/dbraw/zinc/91/71/49/677917149.db2.gz DBWPOLZTAOTYBG-QJPTWQEYSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001078174175 677917155 /nfs/dbraw/zinc/91/71/55/677917155.db2.gz DBWPOLZTAOTYBG-QJPTWQEYSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001078183217 677917247 /nfs/dbraw/zinc/91/72/47/677917247.db2.gz GLHGWRWWZZRLQP-VXGBXAGGSA-N 1 1 306.326 -1.064 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193394 677917710 /nfs/dbraw/zinc/91/77/10/677917710.db2.gz PLLNGJWVUGDQNQ-IJLUTSLNSA-N 1 1 317.411 -1.194 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193105 677917810 /nfs/dbraw/zinc/91/78/10/677917810.db2.gz CMASFLFRCAAFMG-OPRDCNLKSA-N 1 1 307.372 -2.778 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193138 677917857 /nfs/dbraw/zinc/91/78/57/677917857.db2.gz DOSXUDRCHYDSJN-IJLUTSLNSA-N 1 1 317.411 -1.361 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193139 677917879 /nfs/dbraw/zinc/91/78/79/677917879.db2.gz DOSXUDRCHYDSJN-QJPTWQEYSA-N 1 1 317.411 -1.361 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078199771 677918608 /nfs/dbraw/zinc/91/86/08/677918608.db2.gz VKPHNAJZOQKURZ-JHJVBQTASA-N 1 1 317.361 -1.245 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078199636 677918699 /nfs/dbraw/zinc/91/86/99/677918699.db2.gz QGTONTUICPMZJQ-FRRDWIJNSA-N 1 1 315.370 -2.223 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078199770 677918805 /nfs/dbraw/zinc/91/88/05/677918805.db2.gz VKPHNAJZOQKURZ-FRRDWIJNSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194671 677918814 /nfs/dbraw/zinc/91/88/14/677918814.db2.gz UTYXHQOWKXACBT-GGZOMVNGSA-N 1 1 308.338 -1.664 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182180 677918904 /nfs/dbraw/zinc/91/89/04/677918904.db2.gz JHNSGTNVFXWEJI-RAIGVLPGSA-N 1 1 323.397 -1.170 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078199585 677918982 /nfs/dbraw/zinc/91/89/82/677918982.db2.gz OCPWMGFQBIPGMB-GRYCIOLGSA-N 1 1 301.343 -2.613 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078199585 677918987 /nfs/dbraw/zinc/91/89/87/677918987.db2.gz OCPWMGFQBIPGMB-GRYCIOLGSA-N 1 1 301.343 -2.613 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078208620 677919829 /nfs/dbraw/zinc/91/98/29/677919829.db2.gz RYUIPQHFJRXGKZ-FRRDWIJNSA-N 1 1 306.366 -1.003 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001078208620 677919834 /nfs/dbraw/zinc/91/98/34/677919834.db2.gz RYUIPQHFJRXGKZ-FRRDWIJNSA-N 1 1 306.366 -1.003 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229538 677920054 /nfs/dbraw/zinc/92/00/54/677920054.db2.gz NQOMCLLMJPBKPZ-PSASIEDQSA-N 1 1 312.330 -2.815 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229538 677920056 /nfs/dbraw/zinc/92/00/56/677920056.db2.gz NQOMCLLMJPBKPZ-PSASIEDQSA-N 1 1 312.330 -2.815 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230774 677920277 /nfs/dbraw/zinc/92/02/77/677920277.db2.gz QRVBIGTWYGCXGT-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)nn1 ZINC001078229572 677920397 /nfs/dbraw/zinc/92/03/97/677920397.db2.gz OQZRVUODEPHSPB-ZYHUDNBSSA-N 1 1 322.369 -1.662 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)n(C)c1=O ZINC001078241089 677920806 /nfs/dbraw/zinc/92/08/06/677920806.db2.gz ZOJZRFWPYUJLPQ-MWLCHTKSSA-N 1 1 300.334 -1.142 20 0 DAADMO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078222815 677921183 /nfs/dbraw/zinc/92/11/83/677921183.db2.gz REYQHHXAJASSJK-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078222815 677921188 /nfs/dbraw/zinc/92/11/88/677921188.db2.gz REYQHHXAJASSJK-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246349 677921212 /nfs/dbraw/zinc/92/12/12/677921212.db2.gz YIPWFKOMKOLCHH-GGZOMVNGSA-N 1 1 308.338 -1.664 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078247088 677921268 /nfs/dbraw/zinc/92/12/68/677921268.db2.gz GTHHCBOXIPZHDE-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273459 677922486 /nfs/dbraw/zinc/92/24/86/677922486.db2.gz SATUHWMRVXNVTH-XXILOJSOSA-N 1 1 308.338 -1.664 20 0 DAADMO COCC(=O)N1CCCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001078302653 677922806 /nfs/dbraw/zinc/92/28/06/677922806.db2.gz OOUNYKWUVWJIHV-SNVBAGLBSA-N 1 1 313.358 -1.538 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266854 677923028 /nfs/dbraw/zinc/92/30/28/677923028.db2.gz IALXPYNWQVKBSX-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266854 677923032 /nfs/dbraw/zinc/92/30/32/677923032.db2.gz IALXPYNWQVKBSX-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078300051 677923198 /nfs/dbraw/zinc/92/31/98/677923198.db2.gz MQLPQNZBNGMRCC-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078300051 677923200 /nfs/dbraw/zinc/92/32/00/677923200.db2.gz MQLPQNZBNGMRCC-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO O=C(Cn1cnnn1)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078331353 677923348 /nfs/dbraw/zinc/92/33/48/677923348.db2.gz SWCFUZQPOWCKCU-LLVKDONJSA-N 1 1 322.329 -1.537 20 0 DAADMO O=C(Cn1cnnn1)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078331354 677923398 /nfs/dbraw/zinc/92/33/98/677923398.db2.gz SWCFUZQPOWCKCU-NSHDSACASA-N 1 1 322.329 -1.537 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078362738 677924001 /nfs/dbraw/zinc/92/40/01/677924001.db2.gz ZQZLLKSCMHCFLP-LLVKDONJSA-N 1 1 324.385 -1.120 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361622 677924047 /nfs/dbraw/zinc/92/40/47/677924047.db2.gz JTWWGISBHJMPJG-JTQLQIEISA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361652 677924091 /nfs/dbraw/zinc/92/40/91/677924091.db2.gz KLWCOJMMTGRNQM-JTQLQIEISA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCCO2)n1 ZINC001078423716 677924807 /nfs/dbraw/zinc/92/48/07/677924807.db2.gz ARKOGQLUKYIOIX-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457186 677925659 /nfs/dbraw/zinc/92/56/59/677925659.db2.gz QQRNLZMHSGWHRI-JTQLQIEISA-N 1 1 310.358 -1.510 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1)c1nnnn1C ZINC001078458390 677925788 /nfs/dbraw/zinc/92/57/88/677925788.db2.gz GXQIGRZENKPZBB-DTWKUNHWSA-N 1 1 311.346 -2.037 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078456725 677926045 /nfs/dbraw/zinc/92/60/45/677926045.db2.gz GCXJMPNJPLYSPC-MNOVXSKESA-N 1 1 324.341 -1.542 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078456727 677926115 /nfs/dbraw/zinc/92/61/15/677926115.db2.gz GCXJMPNJPLYSPC-WDEREUQCSA-N 1 1 324.341 -1.542 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078441406 677926458 /nfs/dbraw/zinc/92/64/58/677926458.db2.gz VBYKPFJWTMMZLZ-NEPJUHHUSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487037 677926492 /nfs/dbraw/zinc/92/64/92/677926492.db2.gz AYYLFMBSCBRGQO-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1nnc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001078449456 677926612 /nfs/dbraw/zinc/92/66/12/677926612.db2.gz CHPODJXAIHXGCE-JTQLQIEISA-N 1 1 322.329 -1.386 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487432 677927053 /nfs/dbraw/zinc/92/70/53/677927053.db2.gz LLFFZVDESJSNLS-VIFPVBQESA-N 1 1 321.345 -1.651 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001043142982 677927540 /nfs/dbraw/zinc/92/75/40/677927540.db2.gz JCNUGRPLQODNTF-LBPRGKRZSA-N 1 1 312.414 -1.062 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001003043518 677939117 /nfs/dbraw/zinc/93/91/17/677939117.db2.gz OMPYYCYGVRQNQV-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001044493161 677952527 /nfs/dbraw/zinc/95/25/27/677952527.db2.gz QAKZKJSXCUCWHD-UTUOFQBUSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001044493161 677952531 /nfs/dbraw/zinc/95/25/31/677952531.db2.gz QAKZKJSXCUCWHD-UTUOFQBUSA-N 1 1 311.382 -1.338 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC001061599194 677957021 /nfs/dbraw/zinc/95/70/21/677957021.db2.gz OCJUKCALTPWTGM-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO CC[C@H](F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001044790566 677958457 /nfs/dbraw/zinc/95/84/57/677958457.db2.gz WDMGZGNRPJCEIQ-WDEREUQCSA-N 1 1 317.361 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044777403 677958376 /nfs/dbraw/zinc/95/83/76/677958376.db2.gz VPSCKVLTQLYEKQ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044777403 677958378 /nfs/dbraw/zinc/95/83/78/677958378.db2.gz VPSCKVLTQLYEKQ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044777403 677958383 /nfs/dbraw/zinc/95/83/83/677958383.db2.gz VPSCKVLTQLYEKQ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044777403 677958388 /nfs/dbraw/zinc/95/83/88/677958388.db2.gz VPSCKVLTQLYEKQ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044777403 677958391 /nfs/dbraw/zinc/95/83/91/677958391.db2.gz VPSCKVLTQLYEKQ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[C@H](F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001044790566 677958459 /nfs/dbraw/zinc/95/84/59/677958459.db2.gz WDMGZGNRPJCEIQ-WDEREUQCSA-N 1 1 317.361 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061841298 677966535 /nfs/dbraw/zinc/96/65/35/677966535.db2.gz XOTYCSLRJOYYJC-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061840843 677967032 /nfs/dbraw/zinc/96/70/32/677967032.db2.gz QIJDGNHIAMUVNR-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061844212 677969335 /nfs/dbraw/zinc/96/93/35/677969335.db2.gz JGQUNAFHMRDYTH-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061841543 677969755 /nfs/dbraw/zinc/96/97/55/677969755.db2.gz CLQSRSYOAGVWMJ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cc1ncn[nH]1 ZINC001061862299 677972265 /nfs/dbraw/zinc/97/22/65/677972265.db2.gz SDCUNDGQEUUEDH-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061908372 677974072 /nfs/dbraw/zinc/97/40/72/677974072.db2.gz ZCHKMPQKLIEVEC-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 ZINC001062713192 677981733 /nfs/dbraw/zinc/98/17/33/677981733.db2.gz MBWVSTIDFYLLNQ-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)CC(N)=O)CCC2)C1 ZINC001062746438 677982600 /nfs/dbraw/zinc/98/26/00/677982600.db2.gz LFDGAZSFLGDOFQ-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)CC(N)=O)CCC2)C1 ZINC001062746438 677982602 /nfs/dbraw/zinc/98/26/02/677982602.db2.gz LFDGAZSFLGDOFQ-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)CNC(N)=O)CCC2)C1 ZINC001063099616 677986117 /nfs/dbraw/zinc/98/61/17/677986117.db2.gz WSVNJKGQWBJGIG-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001063147268 677986678 /nfs/dbraw/zinc/98/66/78/677986678.db2.gz ZSXRSUZXEHSTQS-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998668 678009858 /nfs/dbraw/zinc/00/98/58/678009858.db2.gz JFQVOTAPZZIGEG-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009955 678010779 /nfs/dbraw/zinc/01/07/79/678010779.db2.gz TWZATADKPKNVSL-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009955 678010783 /nfs/dbraw/zinc/01/07/83/678010783.db2.gz TWZATADKPKNVSL-NXEZZACHSA-N 1 1 314.342 -2.854 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001065009604 678010802 /nfs/dbraw/zinc/01/08/02/678010802.db2.gz OTTIJGDGSANFJS-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065009604 678010805 /nfs/dbraw/zinc/01/08/05/678010805.db2.gz OTTIJGDGSANFJS-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065171821 678015966 /nfs/dbraw/zinc/01/59/66/678015966.db2.gz MBTCMKBKVPGTFX-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)C1 ZINC001065168896 678016162 /nfs/dbraw/zinc/01/61/62/678016162.db2.gz GAZKXRIYGTXXOK-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079276950 678018896 /nfs/dbraw/zinc/01/88/96/678018896.db2.gz ISTKIJICLIFGJK-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1ccccc1F ZINC001079308765 678020480 /nfs/dbraw/zinc/02/04/80/678020480.db2.gz UYOYMFOXGFMZBY-GXSJLCMTSA-N 1 1 308.313 -1.320 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001079403836 678020749 /nfs/dbraw/zinc/02/07/49/678020749.db2.gz XTVQMOZNSGXYAC-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCC1=O ZINC001079403836 678020753 /nfs/dbraw/zinc/02/07/53/678020753.db2.gz XTVQMOZNSGXYAC-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079495942 678021642 /nfs/dbraw/zinc/02/16/42/678021642.db2.gz CIAJKTLJPKAZQK-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO CCN(C(=O)CC(N)=O)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079528830 678022172 /nfs/dbraw/zinc/02/21/72/678022172.db2.gz XLILFAQIQWJNFO-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)CC(N)=O)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079528830 678022175 /nfs/dbraw/zinc/02/21/75/678022175.db2.gz XLILFAQIQWJNFO-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593996 678022981 /nfs/dbraw/zinc/02/29/81/678022981.db2.gz SGKTZWOVQMRRMV-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001079593777 678023022 /nfs/dbraw/zinc/02/30/22/678023022.db2.gz DUCLFSJDYDVUEG-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001079593777 678023024 /nfs/dbraw/zinc/02/30/24/678023024.db2.gz DUCLFSJDYDVUEG-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607559 678023049 /nfs/dbraw/zinc/02/30/49/678023049.db2.gz XTVDZGLBNXHUDJ-IEBDPFPHSA-N 1 1 306.370 -1.059 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607559 678023050 /nfs/dbraw/zinc/02/30/50/678023050.db2.gz XTVDZGLBNXHUDJ-IEBDPFPHSA-N 1 1 306.370 -1.059 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607554 678023112 /nfs/dbraw/zinc/02/31/12/678023112.db2.gz XTVDZGLBNXHUDJ-FBIMIBRVSA-N 1 1 306.370 -1.059 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001079607554 678023119 /nfs/dbraw/zinc/02/31/19/678023119.db2.gz XTVDZGLBNXHUDJ-FBIMIBRVSA-N 1 1 306.370 -1.059 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602579 678023475 /nfs/dbraw/zinc/02/34/75/678023475.db2.gz SVIULMBZWYEDCS-OUAUKWLOSA-N 1 1 324.385 -1.103 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602578 678023490 /nfs/dbraw/zinc/02/34/90/678023490.db2.gz SVIULMBZWYEDCS-GMTAPVOTSA-N 1 1 324.385 -1.103 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079649211 678024084 /nfs/dbraw/zinc/02/40/84/678024084.db2.gz AMRAMUDIDVTKHN-MXWKQRLJSA-N 1 1 308.342 -1.177 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642687 678024784 /nfs/dbraw/zinc/02/47/84/678024784.db2.gz IUMWITIAVUBLQF-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642687 678024787 /nfs/dbraw/zinc/02/47/87/678024787.db2.gz IUMWITIAVUBLQF-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660826 678024890 /nfs/dbraw/zinc/02/48/90/678024890.db2.gz DDEZIXSVRBKNFD-BBBLOLIVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079660826 678024891 /nfs/dbraw/zinc/02/48/91/678024891.db2.gz DDEZIXSVRBKNFD-BBBLOLIVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704072 678025168 /nfs/dbraw/zinc/02/51/68/678025168.db2.gz HHVLMBGKIOJXQI-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704187 678025304 /nfs/dbraw/zinc/02/53/04/678025304.db2.gz MMHYENFRWXGMMQ-OPRDCNLKSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704187 678025306 /nfs/dbraw/zinc/02/53/06/678025306.db2.gz MMHYENFRWXGMMQ-OPRDCNLKSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079702526 678025358 /nfs/dbraw/zinc/02/53/58/678025358.db2.gz NCONLEXCVAHHSC-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079702526 678025362 /nfs/dbraw/zinc/02/53/62/678025362.db2.gz NCONLEXCVAHHSC-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079731525 678025712 /nfs/dbraw/zinc/02/57/12/678025712.db2.gz DZEMKYVLFJRORL-KXUCPTDWSA-N 1 1 310.358 -1.806 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079704815 678025855 /nfs/dbraw/zinc/02/58/55/678025855.db2.gz LAAJNSSMYMFSAA-GMTAPVOTSA-N 1 1 309.374 -1.414 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730991 678025880 /nfs/dbraw/zinc/02/58/80/678025880.db2.gz ZYHIPBXVRKLBSG-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730961 678025960 /nfs/dbraw/zinc/02/59/60/678025960.db2.gz YJUBECUHTWZXLF-NXEZZACHSA-N 1 1 310.358 -1.540 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730990 678025977 /nfs/dbraw/zinc/02/59/77/678025977.db2.gz ZYHIPBXVRKLBSG-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1=O ZINC001079799791 678027038 /nfs/dbraw/zinc/02/70/38/678027038.db2.gz FTYFHUZYZUDJDP-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079829218 678027609 /nfs/dbraw/zinc/02/76/09/678027609.db2.gz BZFWADZZMJNGDL-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881702 678028006 /nfs/dbraw/zinc/02/80/06/678028006.db2.gz PXVDYAPLMMBBHZ-WCABBAIRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881702 678028008 /nfs/dbraw/zinc/02/80/08/678028008.db2.gz PXVDYAPLMMBBHZ-WCABBAIRSA-N 1 1 307.354 -1.296 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859201 678028136 /nfs/dbraw/zinc/02/81/36/678028136.db2.gz KWSGSPUSWYMZLO-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859201 678028140 /nfs/dbraw/zinc/02/81/40/678028140.db2.gz KWSGSPUSWYMZLO-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079882883 678028256 /nfs/dbraw/zinc/02/82/56/678028256.db2.gz RCHGLIDNABYAPA-JLLWLGSASA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079882883 678028261 /nfs/dbraw/zinc/02/82/61/678028261.db2.gz RCHGLIDNABYAPA-JLLWLGSASA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859078 678028303 /nfs/dbraw/zinc/02/83/03/678028303.db2.gz FTTPBPLBNFRHKC-IJLUTSLNSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859078 678028305 /nfs/dbraw/zinc/02/83/05/678028305.db2.gz FTTPBPLBNFRHKC-IJLUTSLNSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881701 678028428 /nfs/dbraw/zinc/02/84/28/678028428.db2.gz PXVDYAPLMMBBHZ-FXPVBKGRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881701 678028431 /nfs/dbraw/zinc/02/84/31/678028431.db2.gz PXVDYAPLMMBBHZ-FXPVBKGRSA-N 1 1 307.354 -1.296 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997908 678029703 /nfs/dbraw/zinc/02/97/03/678029703.db2.gz YUHPHTLMWNBAEO-NXEZZACHSA-N 1 1 310.358 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997908 678029706 /nfs/dbraw/zinc/02/97/06/678029706.db2.gz YUHPHTLMWNBAEO-NXEZZACHSA-N 1 1 310.358 -2.236 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997208 678029722 /nfs/dbraw/zinc/02/97/22/678029722.db2.gz JFIPCBVCODXLRI-GMTAPVOTSA-N 1 1 324.385 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997208 678029724 /nfs/dbraw/zinc/02/97/24/678029724.db2.gz JFIPCBVCODXLRI-GMTAPVOTSA-N 1 1 324.385 -1.847 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079993325 678029728 /nfs/dbraw/zinc/02/97/28/678029728.db2.gz GPCOPMXIPAJYCT-GHMZBOCLSA-N 1 1 311.386 -2.318 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079993325 678029731 /nfs/dbraw/zinc/02/97/31/678029731.db2.gz GPCOPMXIPAJYCT-GHMZBOCLSA-N 1 1 311.386 -2.318 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080159874 678031564 /nfs/dbraw/zinc/03/15/64/678031564.db2.gz ZTNKGFBJQQMKIG-GHMZBOCLSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080159874 678031566 /nfs/dbraw/zinc/03/15/66/678031566.db2.gz ZTNKGFBJQQMKIG-GHMZBOCLSA-N 1 1 321.381 -1.081 20 0 DAADMO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001080181678 678031631 /nfs/dbraw/zinc/03/16/31/678031631.db2.gz FLYNTZVSOXTIHD-MXWKQRLJSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080161265 678031722 /nfs/dbraw/zinc/03/17/22/678031722.db2.gz UMAXXZHZMUDVRP-KXUCPTDWSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080161265 678031724 /nfs/dbraw/zinc/03/17/24/678031724.db2.gz UMAXXZHZMUDVRP-KXUCPTDWSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080262483 678033167 /nfs/dbraw/zinc/03/31/67/678033167.db2.gz DCGNONQXGBSZHK-IJLUTSLNSA-N 1 1 306.370 -1.149 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277054 678033411 /nfs/dbraw/zinc/03/34/11/678033411.db2.gz DDSRBSWOFMRPIV-WCABBAIRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080277054 678033413 /nfs/dbraw/zinc/03/34/13/678033413.db2.gz DDSRBSWOFMRPIV-WCABBAIRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281027 678033958 /nfs/dbraw/zinc/03/39/58/678033958.db2.gz LEDYJTMSBHFDTO-HLTSFMKQSA-N 1 1 321.341 -1.935 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281027 678033959 /nfs/dbraw/zinc/03/39/59/678033959.db2.gz LEDYJTMSBHFDTO-HLTSFMKQSA-N 1 1 321.341 -1.935 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346937 678034560 /nfs/dbraw/zinc/03/45/60/678034560.db2.gz XBRIBJRENDNWOH-WCABBAIRSA-N 1 1 307.354 -1.046 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001080346937 678034561 /nfs/dbraw/zinc/03/45/61/678034561.db2.gz XBRIBJRENDNWOH-WCABBAIRSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001080547527 678037405 /nfs/dbraw/zinc/03/74/05/678037405.db2.gz HDDLMEZQYZTKDH-CKYFFXLPSA-N 1 1 324.381 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612433 678038270 /nfs/dbraw/zinc/03/82/70/678038270.db2.gz AQXSPIZWFFMRKW-FBIMIBRVSA-N 1 1 322.365 -1.636 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612433 678038273 /nfs/dbraw/zinc/03/82/73/678038273.db2.gz AQXSPIZWFFMRKW-FBIMIBRVSA-N 1 1 322.365 -1.636 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613891 678038289 /nfs/dbraw/zinc/03/82/89/678038289.db2.gz RTJCYOQJYWCKGW-FBIMIBRVSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001080734701 678040379 /nfs/dbraw/zinc/04/03/79/678040379.db2.gz OPZQIBNICZXHQW-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750993 678040757 /nfs/dbraw/zinc/04/07/57/678040757.db2.gz ZPOIIVKZARXPFB-BBBLOLIVSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750993 678040759 /nfs/dbraw/zinc/04/07/59/678040759.db2.gz ZPOIIVKZARXPFB-BBBLOLIVSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001080776630 678041469 /nfs/dbraw/zinc/04/14/69/678041469.db2.gz MTPYNDRJUFOBJD-PSASIEDQSA-N 1 1 306.326 -1.540 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080811654 678042188 /nfs/dbraw/zinc/04/21/88/678042188.db2.gz QFTAJQINKNFYKB-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080811654 678042190 /nfs/dbraw/zinc/04/21/90/678042190.db2.gz QFTAJQINKNFYKB-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080894805 678043101 /nfs/dbraw/zinc/04/31/01/678043101.db2.gz OTSAJDOTANNUQA-MWLCHTKSSA-N 1 1 307.354 -1.424 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080894805 678043103 /nfs/dbraw/zinc/04/31/03/678043103.db2.gz OTSAJDOTANNUQA-MWLCHTKSSA-N 1 1 307.354 -1.424 20 0 DAADMO C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903088 678043309 /nfs/dbraw/zinc/04/33/09/678043309.db2.gz ABKFQHUDCHJHFG-NXEZZACHSA-N 1 1 320.357 -1.663 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080898597 678043329 /nfs/dbraw/zinc/04/33/29/678043329.db2.gz HYJUEBSHDXVJTG-JFGNBEQYSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080898597 678043330 /nfs/dbraw/zinc/04/33/30/678043330.db2.gz HYJUEBSHDXVJTG-JFGNBEQYSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001080908089 678043337 /nfs/dbraw/zinc/04/33/37/678043337.db2.gz UUXLCFLOTWJETA-RKDXNWHRSA-N 1 1 311.342 -2.198 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001080908089 678043338 /nfs/dbraw/zinc/04/33/38/678043338.db2.gz UUXLCFLOTWJETA-RKDXNWHRSA-N 1 1 311.342 -2.198 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080906864 678043453 /nfs/dbraw/zinc/04/34/53/678043453.db2.gz OWBMKIULXXXEPK-OPRDCNLKSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080906864 678043456 /nfs/dbraw/zinc/04/34/56/678043456.db2.gz OWBMKIULXXXEPK-OPRDCNLKSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903168 678043523 /nfs/dbraw/zinc/04/35/23/678043523.db2.gz FDMICQKQRKHPMF-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913622 678043844 /nfs/dbraw/zinc/04/38/44/678043844.db2.gz SZVZCTWEFSRDDL-GMTAPVOTSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913622 678043847 /nfs/dbraw/zinc/04/38/47/678043847.db2.gz SZVZCTWEFSRDDL-GMTAPVOTSA-N 1 1 324.381 -1.294 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913244 678043946 /nfs/dbraw/zinc/04/39/46/678043946.db2.gz ANECTHKHNYRDRN-GMTAPVOTSA-N 1 1 324.381 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080931732 678043968 /nfs/dbraw/zinc/04/39/68/678043968.db2.gz HQKFRYDVCATIMB-PSASIEDQSA-N 1 1 323.353 -1.718 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080931732 678043971 /nfs/dbraw/zinc/04/39/71/678043971.db2.gz HQKFRYDVCATIMB-PSASIEDQSA-N 1 1 323.353 -1.718 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913517 678044005 /nfs/dbraw/zinc/04/40/05/678044005.db2.gz OGJVMUDGFNIEQI-GMTAPVOTSA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913517 678044008 /nfs/dbraw/zinc/04/40/08/678044008.db2.gz OGJVMUDGFNIEQI-GMTAPVOTSA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001080948899 678044495 /nfs/dbraw/zinc/04/44/95/678044495.db2.gz LTPJMSVLLIFRJE-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001080948899 678044497 /nfs/dbraw/zinc/04/44/97/678044497.db2.gz LTPJMSVLLIFRJE-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc2ncccn2n1 ZINC001080935977 678044534 /nfs/dbraw/zinc/04/45/34/678044534.db2.gz BQHNWQDXUCRNAM-NXEZZACHSA-N 1 1 317.353 -1.411 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cc1nc2ncccn2n1 ZINC001080935977 678044536 /nfs/dbraw/zinc/04/45/36/678044536.db2.gz BQHNWQDXUCRNAM-NXEZZACHSA-N 1 1 317.353 -1.411 20 0 DAADMO C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935248 678044550 /nfs/dbraw/zinc/04/45/50/678044550.db2.gz ODOWHGJLWLXAND-GRYCIOLGSA-N 1 1 322.413 -1.003 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996512 678047457 /nfs/dbraw/zinc/04/74/57/678047457.db2.gz YBCQWYNGAZJRMS-IWSPIJDZSA-N 1 1 323.357 -2.313 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996512 678047459 /nfs/dbraw/zinc/04/74/59/678047459.db2.gz YBCQWYNGAZJRMS-IWSPIJDZSA-N 1 1 323.357 -2.313 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081368271 678071167 /nfs/dbraw/zinc/07/11/67/678071167.db2.gz MJYHUNTZAFCMTN-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081372135 678072039 /nfs/dbraw/zinc/07/20/39/678072039.db2.gz XLSZUAKDINFKJH-QWRGUYRKSA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081434912 678072849 /nfs/dbraw/zinc/07/28/49/678072849.db2.gz FIGBFEHZYNCAFM-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001081500559 678080461 /nfs/dbraw/zinc/08/04/61/678080461.db2.gz USPKKHICEJUSOB-NEPJUHHUSA-N 1 1 310.354 -1.227 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081554324 678083276 /nfs/dbraw/zinc/08/32/76/678083276.db2.gz UWTGRZJXJOOBIM-CMPLNLGQSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081553775 678083381 /nfs/dbraw/zinc/08/33/81/678083381.db2.gz NGOHCBLIYUWTFX-ZJUUUORDSA-N 1 1 300.359 -2.253 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081573071 678084548 /nfs/dbraw/zinc/08/45/48/678084548.db2.gz ZDMWDPPHTHHGBI-NXEZZACHSA-N 1 1 314.386 -1.863 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081573074 678084779 /nfs/dbraw/zinc/08/47/79/678084779.db2.gz ZDMWDPPHTHHGBI-VHSXEESVSA-N 1 1 314.386 -1.863 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001081625002 678088335 /nfs/dbraw/zinc/08/83/35/678088335.db2.gz QWXKYWHTLQHLNB-GHMZBOCLSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001081625002 678088337 /nfs/dbraw/zinc/08/83/37/678088337.db2.gz QWXKYWHTLQHLNB-GHMZBOCLSA-N 1 1 320.357 -1.464 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)COC)C[C@H]1O ZINC001081631707 678088602 /nfs/dbraw/zinc/08/86/02/678088602.db2.gz FCXCORFOEPKPQE-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081634003 678089180 /nfs/dbraw/zinc/08/91/80/678089180.db2.gz BGBKQWYDFPFGMP-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081634006 678089257 /nfs/dbraw/zinc/08/92/57/678089257.db2.gz BGBKQWYDFPFGMP-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001081590431 678089734 /nfs/dbraw/zinc/08/97/34/678089734.db2.gz RAQHACQNUXAZNC-ZYHUDNBSSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081590431 678089738 /nfs/dbraw/zinc/08/97/38/678089738.db2.gz RAQHACQNUXAZNC-ZYHUDNBSSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001081590431 678089742 /nfs/dbraw/zinc/08/97/42/678089742.db2.gz RAQHACQNUXAZNC-ZYHUDNBSSA-N 1 1 324.385 -1.306 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001081603245 678090287 /nfs/dbraw/zinc/09/02/87/678090287.db2.gz BWLUKADCUIJBLD-NWDGAFQWSA-N 1 1 310.354 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081603192 678090426 /nfs/dbraw/zinc/09/04/26/678090426.db2.gz BIGAJRFNJWLECR-GHMZBOCLSA-N 1 1 323.353 -1.998 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081603195 678090439 /nfs/dbraw/zinc/09/04/39/678090439.db2.gz BIGAJRFNJWLECR-WDEREUQCSA-N 1 1 323.353 -1.998 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081652785 678091505 /nfs/dbraw/zinc/09/15/05/678091505.db2.gz GBOAYLTUVQHUGA-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652785 678091508 /nfs/dbraw/zinc/09/15/08/678091508.db2.gz GBOAYLTUVQHUGA-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652785 678091510 /nfs/dbraw/zinc/09/15/10/678091510.db2.gz GBOAYLTUVQHUGA-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652785 678091513 /nfs/dbraw/zinc/09/15/13/678091513.db2.gz GBOAYLTUVQHUGA-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652785 678091515 /nfs/dbraw/zinc/09/15/15/678091515.db2.gz GBOAYLTUVQHUGA-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653150 678091547 /nfs/dbraw/zinc/09/15/47/678091547.db2.gz KLVFQPNLPRYTCH-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653150 678091550 /nfs/dbraw/zinc/09/15/50/678091550.db2.gz KLVFQPNLPRYTCH-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653150 678091554 /nfs/dbraw/zinc/09/15/54/678091554.db2.gz KLVFQPNLPRYTCH-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653150 678091556 /nfs/dbraw/zinc/09/15/56/678091556.db2.gz KLVFQPNLPRYTCH-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653150 678091559 /nfs/dbraw/zinc/09/15/59/678091559.db2.gz KLVFQPNLPRYTCH-WDEREUQCSA-N 1 1 324.385 -1.306 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081652786 678091812 /nfs/dbraw/zinc/09/18/12/678091812.db2.gz GBOAYLTUVQHUGA-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652786 678091815 /nfs/dbraw/zinc/09/18/15/678091815.db2.gz GBOAYLTUVQHUGA-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652786 678091818 /nfs/dbraw/zinc/09/18/18/678091818.db2.gz GBOAYLTUVQHUGA-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652786 678091822 /nfs/dbraw/zinc/09/18/22/678091822.db2.gz GBOAYLTUVQHUGA-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652786 678091823 /nfs/dbraw/zinc/09/18/23/678091823.db2.gz GBOAYLTUVQHUGA-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653460 678091830 /nfs/dbraw/zinc/09/18/30/678091830.db2.gz OIAPDNCRJKSAJM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653460 678091834 /nfs/dbraw/zinc/09/18/34/678091834.db2.gz OIAPDNCRJKSAJM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653460 678091836 /nfs/dbraw/zinc/09/18/36/678091836.db2.gz OIAPDNCRJKSAJM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653460 678091841 /nfs/dbraw/zinc/09/18/41/678091841.db2.gz OIAPDNCRJKSAJM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653460 678091842 /nfs/dbraw/zinc/09/18/42/678091842.db2.gz OIAPDNCRJKSAJM-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653138 678091924 /nfs/dbraw/zinc/09/19/24/678091924.db2.gz KKBVNEOZMPUJIO-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653138 678091925 /nfs/dbraw/zinc/09/19/25/678091925.db2.gz KKBVNEOZMPUJIO-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653545 678092545 /nfs/dbraw/zinc/09/25/45/678092545.db2.gz PSRWYKJMBRZOEO-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653545 678092548 /nfs/dbraw/zinc/09/25/48/678092548.db2.gz PSRWYKJMBRZOEO-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653544 678092571 /nfs/dbraw/zinc/09/25/71/678092571.db2.gz PSRWYKJMBRZOEO-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653544 678092573 /nfs/dbraw/zinc/09/25/73/678092573.db2.gz PSRWYKJMBRZOEO-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673382 678093418 /nfs/dbraw/zinc/09/34/18/678093418.db2.gz JSAPJVARAMEGLX-YNEHKIRRSA-N 1 1 324.385 -1.085 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081714366 678098632 /nfs/dbraw/zinc/09/86/32/678098632.db2.gz WWPXFHBDCLPTCV-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081717088 678099659 /nfs/dbraw/zinc/09/96/59/678099659.db2.gz TZXIPOXAFBASDJ-VHSXEESVSA-N 1 1 309.326 -2.388 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081721253 678101945 /nfs/dbraw/zinc/10/19/45/678101945.db2.gz ILMUAGXWYCXFCI-VHSXEESVSA-N 1 1 309.326 -2.388 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cccn2nnnc12 ZINC001081734231 678103173 /nfs/dbraw/zinc/10/31/73/678103173.db2.gz QZBIXDBDYFPUPB-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081735564 678103295 /nfs/dbraw/zinc/10/32/95/678103295.db2.gz PEXVVFZNEYCGLU-GHMZBOCLSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081735566 678103324 /nfs/dbraw/zinc/10/33/24/678103324.db2.gz PEXVVFZNEYCGLU-QWRGUYRKSA-N 1 1 324.385 -1.386 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cccn2nnnc12 ZINC001081734076 678103383 /nfs/dbraw/zinc/10/33/83/678103383.db2.gz KDFPFLIREJUZSK-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081775256 678103960 /nfs/dbraw/zinc/10/39/60/678103960.db2.gz YMTMYUUWPJIORB-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081774107 678104031 /nfs/dbraw/zinc/10/40/31/678104031.db2.gz KKYKNKXXAHSOKL-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001081791079 678104979 /nfs/dbraw/zinc/10/49/79/678104979.db2.gz MVFUJGIJRUJTJI-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001081800785 678105988 /nfs/dbraw/zinc/10/59/88/678105988.db2.gz UTDIMIZZXCNVKV-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001081800787 678106265 /nfs/dbraw/zinc/10/62/65/678106265.db2.gz UTDIMIZZXCNVKV-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001081902460 678107616 /nfs/dbraw/zinc/10/76/16/678107616.db2.gz YBYBAPRHWLMZQJ-DGCLKSJQSA-N 1 1 324.381 -1.065 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001081892129 678108055 /nfs/dbraw/zinc/10/80/55/678108055.db2.gz NZBSFRBGLMBPIS-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001081941612 678108423 /nfs/dbraw/zinc/10/84/23/678108423.db2.gz RGPIBOWDEJTQQL-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949419 678108544 /nfs/dbraw/zinc/10/85/44/678108544.db2.gz OCXUXGUDLYCHAK-IJLUTSLNSA-N 1 1 309.370 -1.119 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001081960700 678108552 /nfs/dbraw/zinc/10/85/52/678108552.db2.gz NNGFBOZOSDGERU-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949196 678108562 /nfs/dbraw/zinc/10/85/62/678108562.db2.gz CYWFETPJFIAAOU-VXGBXAGGSA-N 1 1 309.370 -1.247 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1c(C)c(C)nn(C)c1=O ZINC001082010322 678109127 /nfs/dbraw/zinc/10/91/27/678109127.db2.gz BQXWDAOBCQKTDZ-VXGBXAGGSA-N 1 1 324.381 -1.182 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001082018734 678109411 /nfs/dbraw/zinc/10/94/11/678109411.db2.gz RCTXJUVZJAJGKE-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083001 678110480 /nfs/dbraw/zinc/11/04/80/678110480.db2.gz CYQMSXPASUWNAF-HBNTYKKESA-N 1 1 323.357 -2.225 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083001 678110482 /nfs/dbraw/zinc/11/04/82/678110482.db2.gz CYQMSXPASUWNAF-HBNTYKKESA-N 1 1 323.357 -2.225 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)C(N)=O ZINC001082087677 678110998 /nfs/dbraw/zinc/11/09/98/678110998.db2.gz FGSRVWXACSKNNJ-BFHYXJOUSA-N 1 1 321.377 -1.109 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C(N)=O ZINC001082089107 678111070 /nfs/dbraw/zinc/11/10/70/678111070.db2.gz MSJIAAJWUCYVLG-VXGBXAGGSA-N 1 1 309.370 -1.199 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)C(N)=O ZINC001082089107 678111072 /nfs/dbraw/zinc/11/10/72/678111072.db2.gz MSJIAAJWUCYVLG-VXGBXAGGSA-N 1 1 309.370 -1.199 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082141563 678111625 /nfs/dbraw/zinc/11/16/25/678111625.db2.gz VLFAOCDTGACGPZ-WRWGMCAJSA-N 1 1 322.369 -1.785 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082141563 678111628 /nfs/dbraw/zinc/11/16/28/678111628.db2.gz VLFAOCDTGACGPZ-WRWGMCAJSA-N 1 1 322.369 -1.785 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001082186061 678112321 /nfs/dbraw/zinc/11/23/21/678112321.db2.gz BSTWQHHNUILZMP-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 ZINC001082224427 678112566 /nfs/dbraw/zinc/11/25/66/678112566.db2.gz IXVXSKWCCWIYRC-MXWKQRLJSA-N 1 1 305.400 -1.144 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](OC)C1 ZINC001082224427 678112568 /nfs/dbraw/zinc/11/25/68/678112568.db2.gz IXVXSKWCCWIYRC-MXWKQRLJSA-N 1 1 305.400 -1.144 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 ZINC001082235009 678112747 /nfs/dbraw/zinc/11/27/47/678112747.db2.gz HJSABMFSIFEJNB-GHMZBOCLSA-N 1 1 313.354 -1.499 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082247103 678113129 /nfs/dbraw/zinc/11/31/29/678113129.db2.gz DAYSGIQUGQFRRY-NXEZZACHSA-N 1 1 316.333 -1.287 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001082277164 678114092 /nfs/dbraw/zinc/11/40/92/678114092.db2.gz VKDXHDXAAAMINZ-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001082277135 678114362 /nfs/dbraw/zinc/11/43/62/678114362.db2.gz UJNIRETXJWJIDV-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001082333960 678114542 /nfs/dbraw/zinc/11/45/42/678114542.db2.gz KTIRTYZDTISIIY-YNEHKIRRSA-N 1 1 321.381 -1.023 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)n1 ZINC001082349510 678115078 /nfs/dbraw/zinc/11/50/78/678115078.db2.gz DSSNTBINKSAXFZ-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)n1 ZINC001082349510 678115079 /nfs/dbraw/zinc/11/50/79/678115079.db2.gz DSSNTBINKSAXFZ-CHWSQXEVSA-N 1 1 322.365 -1.138 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nc2nccc(C)n2n1 ZINC001082355891 678115258 /nfs/dbraw/zinc/11/52/58/678115258.db2.gz SUNIGEOYCSDSCY-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nc2nccc(C)n2n1 ZINC001082355891 678115260 /nfs/dbraw/zinc/11/52/60/678115260.db2.gz SUNIGEOYCSDSCY-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001082324562 678115267 /nfs/dbraw/zinc/11/52/67/678115267.db2.gz SFZZHBSCVXRDJO-ZWKOPEQDSA-N 1 1 309.370 -1.283 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082325969 678115274 /nfs/dbraw/zinc/11/52/74/678115274.db2.gz IPGUTWRCRQVBTB-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001082360956 678115623 /nfs/dbraw/zinc/11/56/23/678115623.db2.gz CDSLSXBCUBOAJI-OPRDCNLKSA-N 1 1 323.353 -1.615 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001082360955 678115827 /nfs/dbraw/zinc/11/58/27/678115827.db2.gz CDSLSXBCUBOAJI-IVZWLZJFSA-N 1 1 323.353 -1.615 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001082361275 678115891 /nfs/dbraw/zinc/11/58/91/678115891.db2.gz SLYURZPFUQKJQV-NXEZZACHSA-N 1 1 314.342 -2.312 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082361388 678115924 /nfs/dbraw/zinc/11/59/24/678115924.db2.gz ZGBBERMNZYJIRI-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362575 678115946 /nfs/dbraw/zinc/11/59/46/678115946.db2.gz MXUKOQWAJLGXAL-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1nccnc1C(N)=O ZINC001082360932 678115970 /nfs/dbraw/zinc/11/59/70/678115970.db2.gz AYCVZYUCYWYQMN-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374545 678116121 /nfs/dbraw/zinc/11/61/21/678116121.db2.gz HGUPEEYLQSHLNB-GMTAPVOTSA-N 1 1 305.400 -1.098 20 0 DAADMO CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371499 678116147 /nfs/dbraw/zinc/11/61/47/678116147.db2.gz MGTATJVFFQGWMD-FRRDWIJNSA-N 1 1 321.381 -1.105 20 0 DAADMO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368421 678116245 /nfs/dbraw/zinc/11/62/45/678116245.db2.gz AYRKADMPDWDRQW-QJPTWQEYSA-N 1 1 323.401 -1.523 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371350 678116260 /nfs/dbraw/zinc/11/62/60/678116260.db2.gz DROASQFFECOREB-VXGBXAGGSA-N 1 1 309.370 -1.247 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374766 678116293 /nfs/dbraw/zinc/11/62/93/678116293.db2.gz PBOXNSALQPJXDC-HBNTYKKESA-N 1 1 321.399 -2.124 20 0 DAADMO CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371703 678116355 /nfs/dbraw/zinc/11/63/55/678116355.db2.gz WHEOUDCUGODPCM-YUSALJHKSA-N 1 1 309.370 -1.119 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082385186 678116600 /nfs/dbraw/zinc/11/66/00/678116600.db2.gz CAHUIXLGGPKBAR-PSASIEDQSA-N 1 1 312.330 -2.815 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082385186 678116602 /nfs/dbraw/zinc/11/66/02/678116602.db2.gz CAHUIXLGGPKBAR-PSASIEDQSA-N 1 1 312.330 -2.815 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082385294 678116779 /nfs/dbraw/zinc/11/67/79/678116779.db2.gz QIXZZEVUVUOLBG-MWLCHTKSSA-N 1 1 310.358 -1.399 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001082387710 678116789 /nfs/dbraw/zinc/11/67/89/678116789.db2.gz QXHDCTIIXMJQLA-ZYHUDNBSSA-N 1 1 312.370 -1.465 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001082394032 678116949 /nfs/dbraw/zinc/11/69/49/678116949.db2.gz QMSUCIAWINCWJP-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1COCCN1C(C)=O ZINC001082377365 678116962 /nfs/dbraw/zinc/11/69/62/678116962.db2.gz NJHYVEVVNJRVHM-FRRDWIJNSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001082395837 678117313 /nfs/dbraw/zinc/11/73/13/678117313.db2.gz UNFWGLYQQGRJLT-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NCc1nnn(C)n1 ZINC001082458335 678117490 /nfs/dbraw/zinc/11/74/90/678117490.db2.gz IYZRDKHFCZYFKM-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NCc1nnn(C)n1 ZINC001082458335 678117493 /nfs/dbraw/zinc/11/74/93/678117493.db2.gz IYZRDKHFCZYFKM-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001082481733 678117507 /nfs/dbraw/zinc/11/75/07/678117507.db2.gz MYXZEHDRGZDHTP-OUAUKWLOSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082497067 678117614 /nfs/dbraw/zinc/11/76/14/678117614.db2.gz VRYKNBFUOOCWEW-IEBDPFPHSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082496927 678117617 /nfs/dbraw/zinc/11/76/17/678117617.db2.gz QTMWVITZGCNBCN-HLTSFMKQSA-N 1 1 309.330 -1.745 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082556620 678117929 /nfs/dbraw/zinc/11/79/29/678117929.db2.gz WRVMMFFGWPXMDM-OUAUKWLOSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082508249 678118095 /nfs/dbraw/zinc/11/80/95/678118095.db2.gz WAKZCNUSELAAEM-IJLUTSLNSA-N 1 1 324.385 -1.048 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082684699 678118946 /nfs/dbraw/zinc/11/89/46/678118946.db2.gz LKHDBPWGRWKHPS-YUSALJHKSA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082713896 678119330 /nfs/dbraw/zinc/11/93/30/678119330.db2.gz NSUPFAPCTHPKOB-DVVUODLYSA-N 1 1 307.358 -1.567 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082713636 678119332 /nfs/dbraw/zinc/11/93/32/678119332.db2.gz FGKZCAYZJZBYIV-FBIMIBRVSA-N 1 1 307.358 -1.567 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)c1nnnn1C ZINC001082717219 678119340 /nfs/dbraw/zinc/11/93/40/678119340.db2.gz ALKXWVHBAYINIS-KXUCPTDWSA-N 1 1 321.385 -1.027 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082802478 678119575 /nfs/dbraw/zinc/11/95/75/678119575.db2.gz KILTWMPWGOCKKF-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082744627 678119624 /nfs/dbraw/zinc/11/96/24/678119624.db2.gz WYFRQWZCKBHVTC-CHWFTXMASA-N 1 1 306.370 -1.127 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082995160 678120528 /nfs/dbraw/zinc/12/05/28/678120528.db2.gz RZFOYGXLXKQGGD-SDDRHHMPSA-N 1 1 310.358 -1.380 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001082969353 678120550 /nfs/dbraw/zinc/12/05/50/678120550.db2.gz QAQGFWVMLBUBSS-NWDGAFQWSA-N 1 1 312.370 -1.430 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]21 ZINC001082969353 678120551 /nfs/dbraw/zinc/12/05/51/678120551.db2.gz QAQGFWVMLBUBSS-NWDGAFQWSA-N 1 1 312.370 -1.430 20 0 DAADMO O=C(c1cnccn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082986045 678120576 /nfs/dbraw/zinc/12/05/76/678120576.db2.gz HEOJYIUMICAZIM-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cnccn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001082986045 678120577 /nfs/dbraw/zinc/12/05/77/678120577.db2.gz HEOJYIUMICAZIM-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)cn1 ZINC001082995350 678120634 /nfs/dbraw/zinc/12/06/34/678120634.db2.gz BEZWXECWPDKCSS-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)cn1 ZINC001082995350 678120635 /nfs/dbraw/zinc/12/06/35/678120635.db2.gz BEZWXECWPDKCSS-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083008770 678121006 /nfs/dbraw/zinc/12/10/06/678121006.db2.gz VMYIJMJDUASTBQ-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1cc[nH]n1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083008770 678121007 /nfs/dbraw/zinc/12/10/07/678121007.db2.gz VMYIJMJDUASTBQ-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083008770 678121008 /nfs/dbraw/zinc/12/10/08/678121008.db2.gz VMYIJMJDUASTBQ-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083008770 678121009 /nfs/dbraw/zinc/12/10/09/678121009.db2.gz VMYIJMJDUASTBQ-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083009070 678121057 /nfs/dbraw/zinc/12/10/57/678121057.db2.gz GNXVKXTXBKOFGF-XQQFMLRXSA-N 1 1 300.355 -1.304 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COCCO3)[C@H]2C1 ZINC001083009531 678121070 /nfs/dbraw/zinc/12/10/70/678121070.db2.gz WQSKALWTLWRZJK-XQQFMLRXSA-N 1 1 300.355 -1.040 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COCCO3)[C@H]2C1 ZINC001083009531 678121072 /nfs/dbraw/zinc/12/10/72/678121072.db2.gz WQSKALWTLWRZJK-XQQFMLRXSA-N 1 1 300.355 -1.040 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023517 678121226 /nfs/dbraw/zinc/12/12/26/678121226.db2.gz FXQXDYVVDQZSRY-FRRDWIJNSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nccnc3N)[C@H]2C1 ZINC001083028287 678121334 /nfs/dbraw/zinc/12/13/34/678121334.db2.gz HOSIBNIDPYKALV-OUAUKWLOSA-N 1 1 307.354 -1.035 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3nccnc3N)[C@H]2C1 ZINC001083028287 678121341 /nfs/dbraw/zinc/12/13/41/678121341.db2.gz HOSIBNIDPYKALV-OUAUKWLOSA-N 1 1 307.354 -1.035 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083069003 678121749 /nfs/dbraw/zinc/12/17/49/678121749.db2.gz CBPVEMFTFNJYDN-ADEWGFFLSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083069003 678121751 /nfs/dbraw/zinc/12/17/51/678121751.db2.gz CBPVEMFTFNJYDN-ADEWGFFLSA-N 1 1 320.353 -1.771 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCOCC3)[C@H]2C1 ZINC001083054929 678122008 /nfs/dbraw/zinc/12/20/08/678122008.db2.gz IKEBRZGYQJSTCV-MELADBBJSA-N 1 1 313.398 -1.389 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083035157 678122251 /nfs/dbraw/zinc/12/22/51/678122251.db2.gz GOXQTUSNWJUXCQ-MJBXVCDLSA-N 1 1 313.398 -1.389 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083057416 678122273 /nfs/dbraw/zinc/12/22/73/678122273.db2.gz IQRFINXITVHGPD-WDEREUQCSA-N 1 1 311.342 -1.722 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083032724 678122291 /nfs/dbraw/zinc/12/22/91/678122291.db2.gz KZASEOURLKZVDW-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083032724 678122292 /nfs/dbraw/zinc/12/22/92/678122292.db2.gz KZASEOURLKZVDW-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083032724 678122297 /nfs/dbraw/zinc/12/22/97/678122297.db2.gz KZASEOURLKZVDW-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083032724 678122299 /nfs/dbraw/zinc/12/22/99/678122299.db2.gz KZASEOURLKZVDW-RWMBFGLXSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083048418 678122311 /nfs/dbraw/zinc/12/23/11/678122311.db2.gz UEFZZJDTAURVKW-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)cn3)[C@H]2C1 ZINC001083109825 678122525 /nfs/dbraw/zinc/12/25/25/678122525.db2.gz VCPQDDALTWOJCS-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)n(C)cn3)[C@H]2C1 ZINC001083109825 678122528 /nfs/dbraw/zinc/12/25/28/678122528.db2.gz VCPQDDALTWOJCS-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(C)c3N)[C@H]2C1 ZINC001083058078 678122827 /nfs/dbraw/zinc/12/28/27/678122827.db2.gz OPUXNTURFNLNSW-ADEWGFFLSA-N 1 1 309.370 -1.092 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083489 678123013 /nfs/dbraw/zinc/12/30/13/678123013.db2.gz XIXGPKKPTCROPK-GRYCIOLGSA-N 1 1 310.358 -1.380 20 0 DAADMO CN1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1=O ZINC001083123885 678123180 /nfs/dbraw/zinc/12/31/80/678123180.db2.gz YSOIPOOVJOYWCA-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1=O ZINC001083123885 678123183 /nfs/dbraw/zinc/12/31/83/678123183.db2.gz YSOIPOOVJOYWCA-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083080724 678123213 /nfs/dbraw/zinc/12/32/13/678123213.db2.gz CNHLJIILWACALF-FRRDWIJNSA-N 1 1 300.355 -1.304 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083080724 678123215 /nfs/dbraw/zinc/12/32/15/678123215.db2.gz CNHLJIILWACALF-FRRDWIJNSA-N 1 1 300.355 -1.304 20 0 DAADMO Cc1nnc(CC(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)[nH]1 ZINC001083078558 678123249 /nfs/dbraw/zinc/12/32/49/678123249.db2.gz IDKAYNVLBMHYIA-NWDGAFQWSA-N 1 1 309.370 -1.050 20 0 DAADMO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083106774 678123572 /nfs/dbraw/zinc/12/35/72/678123572.db2.gz VDLKSQNRBXPAAH-NWDGAFQWSA-N 1 1 308.338 -1.207 20 0 DAADMO O=C(c1cc2n(n1)CCO2)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083106774 678123574 /nfs/dbraw/zinc/12/35/74/678123574.db2.gz VDLKSQNRBXPAAH-NWDGAFQWSA-N 1 1 308.338 -1.207 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083084734 678123618 /nfs/dbraw/zinc/12/36/18/678123618.db2.gz CFFKCQSXJNMNPC-FVCCEPFGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083084734 678123619 /nfs/dbraw/zinc/12/36/19/678123619.db2.gz CFFKCQSXJNMNPC-FVCCEPFGSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083094685 678123623 /nfs/dbraw/zinc/12/36/23/678123623.db2.gz RTTLDKNXMSJDQC-SDDRHHMPSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083094685 678123624 /nfs/dbraw/zinc/12/36/24/678123624.db2.gz RTTLDKNXMSJDQC-SDDRHHMPSA-N 1 1 320.353 -1.922 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 ZINC001083087373 678123638 /nfs/dbraw/zinc/12/36/38/678123638.db2.gz FQPRTKVPYZIGDM-WDEREUQCSA-N 1 1 322.369 -1.303 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083106512 678123653 /nfs/dbraw/zinc/12/36/53/678123653.db2.gz HIAQNNDCNFSQKK-NWDGAFQWSA-N 1 1 313.354 -2.251 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083106512 678123655 /nfs/dbraw/zinc/12/36/55/678123655.db2.gz HIAQNNDCNFSQKK-NWDGAFQWSA-N 1 1 313.354 -2.251 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@H]2C1 ZINC001083134170 678123907 /nfs/dbraw/zinc/12/39/07/678123907.db2.gz LCOJKGPGIRVMKC-WDEREUQCSA-N 1 1 308.338 -1.120 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083128490 678123989 /nfs/dbraw/zinc/12/39/89/678123989.db2.gz NSXZZLIRWGSXPD-GRYCIOLGSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083128490 678123991 /nfs/dbraw/zinc/12/39/91/678123991.db2.gz NSXZZLIRWGSXPD-GRYCIOLGSA-N 1 1 320.353 -1.392 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cn[nH]n4)[C@H]3C2)C1=O ZINC001083129222 678124008 /nfs/dbraw/zinc/12/40/08/678124008.db2.gz ZSMADZVRMMXJCQ-SDDRHHMPSA-N 1 1 320.353 -1.439 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cn[nH]n4)[C@H]3C2)C1=O ZINC001083129222 678124009 /nfs/dbraw/zinc/12/40/09/678124009.db2.gz ZSMADZVRMMXJCQ-SDDRHHMPSA-N 1 1 320.353 -1.439 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncn(C)c3=O)[C@H]2C1 ZINC001083125677 678124157 /nfs/dbraw/zinc/12/41/57/678124157.db2.gz ASVNAMNOTGKRII-NWDGAFQWSA-N 1 1 309.370 -1.098 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 ZINC001083124517 678124217 /nfs/dbraw/zinc/12/42/17/678124217.db2.gz CBIASKYUKFRGOJ-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO O=C(c1ccnc2n[nH]nc21)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083139401 678124590 /nfs/dbraw/zinc/12/45/90/678124590.db2.gz YABMKSOWVMKPML-WDEREUQCSA-N 1 1 318.337 -1.130 20 0 DAADMO O=C(c1ccnc2n[nH]nc21)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083139401 678124594 /nfs/dbraw/zinc/12/45/94/678124594.db2.gz YABMKSOWVMKPML-WDEREUQCSA-N 1 1 318.337 -1.130 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083166076 678124856 /nfs/dbraw/zinc/12/48/56/678124856.db2.gz ZLBCTWBVIMPEJB-KXUCPTDWSA-N 1 1 321.341 -2.376 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083166076 678124858 /nfs/dbraw/zinc/12/48/58/678124858.db2.gz ZLBCTWBVIMPEJB-KXUCPTDWSA-N 1 1 321.341 -2.376 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083165602 678125017 /nfs/dbraw/zinc/12/50/17/678125017.db2.gz DFCDVRREENYHFG-OUAUKWLOSA-N 1 1 310.358 -1.230 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083165602 678125020 /nfs/dbraw/zinc/12/50/20/678125020.db2.gz DFCDVRREENYHFG-OUAUKWLOSA-N 1 1 310.358 -1.230 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083167219 678125030 /nfs/dbraw/zinc/12/50/30/678125030.db2.gz HHAAQIVEYYPZTR-OUAUKWLOSA-N 1 1 310.358 -1.230 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083167219 678125033 /nfs/dbraw/zinc/12/50/33/678125033.db2.gz HHAAQIVEYYPZTR-OUAUKWLOSA-N 1 1 310.358 -1.230 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083179677 678125243 /nfs/dbraw/zinc/12/52/43/678125243.db2.gz GWWCOIWKPQAZKY-GARJFASQSA-N 1 1 300.334 -1.061 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cn3)[C@H]2C1 ZINC001083178006 678125286 /nfs/dbraw/zinc/12/52/86/678125286.db2.gz XAFMWVRJIGDWKE-ADEWGFFLSA-N 1 1 308.338 -1.324 20 0 DAADMO Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)n1 ZINC001083180992 678125611 /nfs/dbraw/zinc/12/56/11/678125611.db2.gz JYJLHIRSKGKAJP-WDEREUQCSA-N 1 1 323.353 -1.292 20 0 DAADMO Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)n1 ZINC001083180992 678125612 /nfs/dbraw/zinc/12/56/12/678125612.db2.gz JYJLHIRSKGKAJP-WDEREUQCSA-N 1 1 323.353 -1.292 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001083181285 678125671 /nfs/dbraw/zinc/12/56/71/678125671.db2.gz YSCKDXNQSVUSPT-GRYCIOLGSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065550591 678131281 /nfs/dbraw/zinc/13/12/81/678131281.db2.gz LHIQCVFSDPNXSW-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550445 678131496 /nfs/dbraw/zinc/13/14/96/678131496.db2.gz ALHGJDUVGNAIRE-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552066 678132016 /nfs/dbraw/zinc/13/20/16/678132016.db2.gz FJKUBYUYLATXIW-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551926 678132044 /nfs/dbraw/zinc/13/20/44/678132044.db2.gz CPLWVEHYBHSZKH-SNVBAGLBSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065552888 678132596 /nfs/dbraw/zinc/13/25/96/678132596.db2.gz PXRMRPTUBASVNR-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(F)F)C2)C1 ZINC001041137389 678143334 /nfs/dbraw/zinc/14/33/34/678143334.db2.gz DHHGYGJODPARPI-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(F)F)C2)C1 ZINC001041137389 678143335 /nfs/dbraw/zinc/14/33/35/678143335.db2.gz DHHGYGJODPARPI-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052226 678144606 /nfs/dbraw/zinc/14/46/06/678144606.db2.gz FHAFZUYKOSLVBS-MFKMUULPSA-N 1 1 307.358 -1.529 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001041073953 678146680 /nfs/dbraw/zinc/14/66/80/678146680.db2.gz FBHJRFXZRZKBPF-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001041073955 678146711 /nfs/dbraw/zinc/14/67/11/678146711.db2.gz FBHJRFXZRZKBPF-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001041073949 678146721 /nfs/dbraw/zinc/14/67/21/678146721.db2.gz FBHJRFXZRZKBPF-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCCO ZINC001072099927 678152361 /nfs/dbraw/zinc/15/23/61/678152361.db2.gz ZLLQDVAGMBFIHW-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001072134242 678153016 /nfs/dbraw/zinc/15/30/16/678153016.db2.gz IKGXUFXQTQGQLH-ZDUSSCGKSA-N 1 1 324.381 -1.501 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072160474 678153242 /nfs/dbraw/zinc/15/32/42/678153242.db2.gz DYRQGYZCUDLXOP-NWDGAFQWSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001072283337 678155375 /nfs/dbraw/zinc/15/53/75/678155375.db2.gz QVXASCASMZCNTP-NEPJUHHUSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072283338 678155383 /nfs/dbraw/zinc/15/53/83/678155383.db2.gz QVXASCASMZCNTP-NWDGAFQWSA-N 1 1 323.401 -1.024 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451381 678156895 /nfs/dbraw/zinc/15/68/95/678156895.db2.gz KOIUJLHYJNPDDF-UHFFFAOYSA-N 1 1 307.358 -1.704 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072449457 678157014 /nfs/dbraw/zinc/15/70/14/678157014.db2.gz UNGPMDFRQIBKNJ-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3cncn3)C2)C1 ZINC001072475938 678157367 /nfs/dbraw/zinc/15/73/67/678157367.db2.gz XPLUWVNIHYJORQ-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cncn3)C2)C1 ZINC001072475938 678157368 /nfs/dbraw/zinc/15/73/68/678157368.db2.gz XPLUWVNIHYJORQ-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072491723 678157399 /nfs/dbraw/zinc/15/73/99/678157399.db2.gz DUFOFHGRWAQFKN-NEPJUHHUSA-N 1 1 309.366 -1.175 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072478752 678157446 /nfs/dbraw/zinc/15/74/46/678157446.db2.gz MXJQZROSEMNRKL-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072565465 678158623 /nfs/dbraw/zinc/15/86/23/678158623.db2.gz AYJOTJQYGNIVIC-SECBINFHSA-N 1 1 308.338 -1.799 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072547587 678158640 /nfs/dbraw/zinc/15/86/40/678158640.db2.gz FWTAACMRUGXJIG-GHMZBOCLSA-N 1 1 306.366 -1.312 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072637546 678159927 /nfs/dbraw/zinc/15/99/27/678159927.db2.gz QLBJSPPPEDCBIY-UHFFFAOYSA-N 1 1 308.342 -1.736 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072637546 678159928 /nfs/dbraw/zinc/15/99/28/678159928.db2.gz QLBJSPPPEDCBIY-UHFFFAOYSA-N 1 1 308.342 -1.736 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645934 678161439 /nfs/dbraw/zinc/16/14/39/678161439.db2.gz SZGQPZAZEFWSGK-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072646188 678161511 /nfs/dbraw/zinc/16/15/11/678161511.db2.gz XPONWGHXUIMTDY-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072646189 678161602 /nfs/dbraw/zinc/16/16/02/678161602.db2.gz XPONWGHXUIMTDY-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072645520 678161621 /nfs/dbraw/zinc/16/16/21/678161621.db2.gz MGHXGGNSFQUYAS-STQMWFEESA-N 1 1 322.409 -1.260 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072648252 678162000 /nfs/dbraw/zinc/16/20/00/678162000.db2.gz XPFRBQKVKQLYSA-UHFFFAOYSA-N 1 1 322.369 -1.394 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4COC(=O)N4)C3)C2)C1=O ZINC001072686676 678162274 /nfs/dbraw/zinc/16/22/74/678162274.db2.gz SOJNQIAHJIFOIY-QWRGUYRKSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072686305 678162301 /nfs/dbraw/zinc/16/23/01/678162301.db2.gz IXOAIZCBDGZIJO-UWVGGRQHSA-N 1 1 308.338 -1.482 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072686046 678162372 /nfs/dbraw/zinc/16/23/72/678162372.db2.gz BBETZAKRNQEWGA-NSHDSACASA-N 1 1 320.353 -1.079 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686457 678162512 /nfs/dbraw/zinc/16/25/12/678162512.db2.gz MSNWOLKFNGNMNY-JTQLQIEISA-N 1 1 310.354 -1.283 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072686304 678162639 /nfs/dbraw/zinc/16/26/39/678162639.db2.gz IXOAIZCBDGZIJO-NXEZZACHSA-N 1 1 308.338 -1.482 20 0 DAADMO CCN1C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1=O ZINC001072797488 678164326 /nfs/dbraw/zinc/16/43/26/678164326.db2.gz ZHODMZAHOSCNJY-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1=O ZINC001072797488 678164327 /nfs/dbraw/zinc/16/43/27/678164327.db2.gz ZHODMZAHOSCNJY-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cccn4nnnc34)C2)C1 ZINC001072780026 678164338 /nfs/dbraw/zinc/16/43/38/678164338.db2.gz QGOVTGQLVYYEJK-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cccn4nnnc34)C2)C1 ZINC001072780026 678164340 /nfs/dbraw/zinc/16/43/40/678164340.db2.gz QGOVTGQLVYYEJK-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072810101 678164972 /nfs/dbraw/zinc/16/49/72/678164972.db2.gz OWYKXBNMJGYDSB-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072822409 678164979 /nfs/dbraw/zinc/16/49/79/678164979.db2.gz FVJZUXWAXQSQGI-JTQLQIEISA-N 1 1 310.354 -1.499 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1=O ZINC001072836755 678164991 /nfs/dbraw/zinc/16/49/91/678164991.db2.gz OWZBUBQHOVNMNH-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1=O ZINC001072836755 678164993 /nfs/dbraw/zinc/16/49/93/678164993.db2.gz OWZBUBQHOVNMNH-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072832937 678165171 /nfs/dbraw/zinc/16/51/71/678165171.db2.gz VGWVDUHOPGKYRE-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)cc1=O ZINC001072825021 678165203 /nfs/dbraw/zinc/16/52/03/678165203.db2.gz QLSXPEHCDJCSSV-UHFFFAOYSA-N 1 1 305.338 -1.587 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)cc1=O ZINC001072825021 678165205 /nfs/dbraw/zinc/16/52/05/678165205.db2.gz QLSXPEHCDJCSSV-UHFFFAOYSA-N 1 1 305.338 -1.587 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881490 678165590 /nfs/dbraw/zinc/16/55/90/678165590.db2.gz XEEMONDMAPRZDA-UHFFFAOYSA-N 1 1 322.369 -2.138 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881490 678165592 /nfs/dbraw/zinc/16/55/92/678165592.db2.gz XEEMONDMAPRZDA-UHFFFAOYSA-N 1 1 322.369 -2.138 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072886155 678165716 /nfs/dbraw/zinc/16/57/16/678165716.db2.gz IDPHYOILBXKZER-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072881368 678165734 /nfs/dbraw/zinc/16/57/34/678165734.db2.gz QESQRSOPLNWZHB-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072881368 678165736 /nfs/dbraw/zinc/16/57/36/678165736.db2.gz QESQRSOPLNWZHB-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072878946 678165783 /nfs/dbraw/zinc/16/57/83/678165783.db2.gz IAZILGPIHNXUBD-UHFFFAOYSA-N 1 1 302.396 -1.052 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072878946 678165785 /nfs/dbraw/zinc/16/57/85/678165785.db2.gz IAZILGPIHNXUBD-UHFFFAOYSA-N 1 1 302.396 -1.052 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072881369 678165790 /nfs/dbraw/zinc/16/57/90/678165790.db2.gz QESQRSOPLNWZHB-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072881369 678165793 /nfs/dbraw/zinc/16/57/93/678165793.db2.gz QESQRSOPLNWZHB-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC)C2 ZINC001072881032 678165809 /nfs/dbraw/zinc/16/58/09/678165809.db2.gz BFAWNZKACLAYNY-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC)C2 ZINC001072881032 678165811 /nfs/dbraw/zinc/16/58/11/678165811.db2.gz BFAWNZKACLAYNY-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931332 678165995 /nfs/dbraw/zinc/16/59/95/678165995.db2.gz COSGBVFYVYQNBA-NXEZZACHSA-N 1 1 309.370 -1.663 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072901586 678166038 /nfs/dbraw/zinc/16/60/38/678166038.db2.gz ZRJQQCPDHIZEBO-UHFFFAOYSA-N 1 1 308.338 -1.525 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931334 678166119 /nfs/dbraw/zinc/16/61/19/678166119.db2.gz COSGBVFYVYQNBA-VHSXEESVSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001072923130 678166137 /nfs/dbraw/zinc/16/61/37/678166137.db2.gz PCZKHQYOPUOOHA-SECBINFHSA-N 1 1 305.338 -1.208 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901484 678166207 /nfs/dbraw/zinc/16/62/07/678166207.db2.gz UDLYPWMBXNKAMB-NSHDSACASA-N 1 1 322.365 -1.136 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)C1 ZINC001072922437 678166211 /nfs/dbraw/zinc/16/62/11/678166211.db2.gz OIWUHRUFDKDBDG-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)C1 ZINC001072922437 678166213 /nfs/dbraw/zinc/16/62/13/678166213.db2.gz OIWUHRUFDKDBDG-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072929659 678166256 /nfs/dbraw/zinc/16/62/56/678166256.db2.gz PETYVGLNFIFPOS-SNVBAGLBSA-N 1 1 309.370 -1.710 20 0 DAADMO Cn1cc(OCC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)cn1 ZINC001072920023 678166333 /nfs/dbraw/zinc/16/63/33/678166333.db2.gz MNCJCFQYLVDVSS-UHFFFAOYSA-N 1 1 307.354 -1.182 20 0 DAADMO Cn1cc(OCC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)cn1 ZINC001072920023 678166334 /nfs/dbraw/zinc/16/63/34/678166334.db2.gz MNCJCFQYLVDVSS-UHFFFAOYSA-N 1 1 307.354 -1.182 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072929839 678166339 /nfs/dbraw/zinc/16/63/39/678166339.db2.gz VXNDLEGTMUDMLL-ZJUUUORDSA-N 1 1 307.354 -1.909 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)CN1CCCC1=O)C2 ZINC001072936115 678166573 /nfs/dbraw/zinc/16/65/73/678166573.db2.gz QLAFOGDTAAGKRF-NSHDSACASA-N 1 1 324.381 -2.011 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072932766 678166591 /nfs/dbraw/zinc/16/65/91/678166591.db2.gz XCHXNEJWGHCZPT-LLVKDONJSA-N 1 1 319.369 -1.469 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072932766 678166593 /nfs/dbraw/zinc/16/65/93/678166593.db2.gz XCHXNEJWGHCZPT-LLVKDONJSA-N 1 1 319.369 -1.469 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072937666 678166612 /nfs/dbraw/zinc/16/66/12/678166612.db2.gz GGXAQGVBXPGRDN-NSHDSACASA-N 1 1 307.354 -1.736 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001072934875 678166657 /nfs/dbraw/zinc/16/66/57/678166657.db2.gz ZVPVVYHFZNERRC-UHFFFAOYSA-N 1 1 310.354 -2.135 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072936287 678166695 /nfs/dbraw/zinc/16/66/95/678166695.db2.gz YPQJVUNXFQRKIN-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001072936124 678166845 /nfs/dbraw/zinc/16/68/45/678166845.db2.gz QWJPQNZKVAOPEA-JTQLQIEISA-N 1 1 315.395 -1.559 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072937658 678166876 /nfs/dbraw/zinc/16/68/76/678166876.db2.gz GGXAQGVBXPGRDN-LLVKDONJSA-N 1 1 307.354 -1.736 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072932133 678166909 /nfs/dbraw/zinc/16/69/09/678166909.db2.gz PEFRMHYFFNBHSG-GHMZBOCLSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072985970 678167187 /nfs/dbraw/zinc/16/71/87/678167187.db2.gz GEXDGJBGJHJUOF-MNOVXSKESA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001072975908 678167194 /nfs/dbraw/zinc/16/71/94/678167194.db2.gz OSDVPRPCDPWVLO-HZMBPMFUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977035 678167202 /nfs/dbraw/zinc/16/72/02/678167202.db2.gz KFPURLSUMKXJHE-SDDRHHMPSA-N 1 1 311.382 -1.066 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CCNC1=O ZINC001072975350 678167217 /nfs/dbraw/zinc/16/72/17/678167217.db2.gz GIKCVXTTZZQNNZ-XHDPSFHLSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CCNC1=O ZINC001072975348 678167354 /nfs/dbraw/zinc/16/73/54/678167354.db2.gz GIKCVXTTZZQNNZ-IAQYHMDHSA-N 1 1 320.393 -1.065 20 0 DAADMO Cn1ncc(CCC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)n1 ZINC001072988642 678167607 /nfs/dbraw/zinc/16/76/07/678167607.db2.gz FIRMXVXHBBYUEB-UHFFFAOYSA-N 1 1 306.370 -1.233 20 0 DAADMO Cn1ncc(CCC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)n1 ZINC001072988642 678167609 /nfs/dbraw/zinc/16/76/09/678167609.db2.gz FIRMXVXHBBYUEB-UHFFFAOYSA-N 1 1 306.370 -1.233 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020124 678167622 /nfs/dbraw/zinc/16/76/22/678167622.db2.gz LCDWOLXCNOOTMS-ZJUUUORDSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[C@H]1CCC(=O)N1 ZINC001073005913 678167697 /nfs/dbraw/zinc/16/76/97/678167697.db2.gz JLHPKTZFJQTZMJ-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[C@H]1CCC(=O)N1 ZINC001073005913 678167700 /nfs/dbraw/zinc/16/77/00/678167700.db2.gz JLHPKTZFJQTZMJ-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[C@@H]1CCC(=O)N1 ZINC001073005911 678167789 /nfs/dbraw/zinc/16/77/89/678167789.db2.gz JLHPKTZFJQTZMJ-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[C@@H]1CCC(=O)N1 ZINC001073005911 678167790 /nfs/dbraw/zinc/16/77/90/678167790.db2.gz JLHPKTZFJQTZMJ-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986452 678167851 /nfs/dbraw/zinc/16/78/51/678167851.db2.gz XGTPMITYYUHCGJ-NEPJUHHUSA-N 1 1 318.381 -1.029 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986452 678167852 /nfs/dbraw/zinc/16/78/52/678167852.db2.gz XGTPMITYYUHCGJ-NEPJUHHUSA-N 1 1 318.381 -1.029 20 0 DAADMO Cn1ncc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)n1 ZINC001073055867 678167905 /nfs/dbraw/zinc/16/79/05/678167905.db2.gz CWAVUPAAVWHDRC-LLVKDONJSA-N 1 1 304.354 -1.149 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077331 678168264 /nfs/dbraw/zinc/16/82/64/678168264.db2.gz SMBLWCATNSFWIF-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073064052 678168319 /nfs/dbraw/zinc/16/83/19/678168319.db2.gz YTGFFIGWEJCFEI-UHFFFAOYSA-N 1 1 309.326 -2.442 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073064052 678168322 /nfs/dbraw/zinc/16/83/22/678168322.db2.gz YTGFFIGWEJCFEI-UHFFFAOYSA-N 1 1 309.326 -2.442 20 0 DAADMO O=C(c1nc[nH]n1)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001073067472 678168431 /nfs/dbraw/zinc/16/84/31/678168431.db2.gz ZNKOZHSXVAAYLU-SECBINFHSA-N 1 1 318.337 -1.242 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1=O ZINC001073123332 678168650 /nfs/dbraw/zinc/16/86/50/678168650.db2.gz SIGOYBJWFUROOC-UHFFFAOYSA-N 1 1 324.381 -1.203 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001073124217 678168656 /nfs/dbraw/zinc/16/86/56/678168656.db2.gz BNVLHMMZZFCGDX-JTQLQIEISA-N 1 1 318.381 -1.071 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001073124217 678168658 /nfs/dbraw/zinc/16/86/58/678168658.db2.gz BNVLHMMZZFCGDX-JTQLQIEISA-N 1 1 318.381 -1.071 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073109202 678168678 /nfs/dbraw/zinc/16/86/78/678168678.db2.gz VXCQXMRJQFOSIX-LLVKDONJSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073137727 678168790 /nfs/dbraw/zinc/16/87/90/678168790.db2.gz HJYIWTLYKAESTR-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073105915 678168916 /nfs/dbraw/zinc/16/89/16/678168916.db2.gz FUHYSZJSUCWPTN-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@H+](C[C@@H](C)O)C3)c(=O)n1C ZINC001073158466 678169176 /nfs/dbraw/zinc/16/91/76/678169176.db2.gz YQBXDWHKTXZAHM-LLVKDONJSA-N 1 1 323.397 -1.195 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)c(=O)n1C ZINC001073158451 678169348 /nfs/dbraw/zinc/16/93/48/678169348.db2.gz YAICWJFXQVGTGH-UHFFFAOYSA-N 1 1 322.369 -2.090 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)c(=O)n1C ZINC001073158451 678169352 /nfs/dbraw/zinc/16/93/52/678169352.db2.gz YAICWJFXQVGTGH-UHFFFAOYSA-N 1 1 322.369 -2.090 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073158082 678169365 /nfs/dbraw/zinc/16/93/65/678169365.db2.gz LHDCLFZFYFMVKN-CYBMUJFWSA-N 1 1 311.382 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073410639 678170696 /nfs/dbraw/zinc/17/06/96/678170696.db2.gz JWSPEGJOBNPCTC-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(Cn1cncn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073408453 678170854 /nfs/dbraw/zinc/17/08/54/678170854.db2.gz SXUBAXWNXMVQMB-NSHDSACASA-N 1 1 304.354 -1.299 20 0 DAADMO Cn1nc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)ccc1=O ZINC001073408876 678170951 /nfs/dbraw/zinc/17/09/51/678170951.db2.gz NPEOJZHPAOAKIC-UHFFFAOYSA-N 1 1 305.338 -1.587 20 0 DAADMO Cn1nc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)ccc1=O ZINC001073408876 678170954 /nfs/dbraw/zinc/17/09/54/678170954.db2.gz NPEOJZHPAOAKIC-UHFFFAOYSA-N 1 1 305.338 -1.587 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439081 678171237 /nfs/dbraw/zinc/17/12/37/678171237.db2.gz JXSOFUIXSHBRGN-QWRGUYRKSA-N 1 1 317.411 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412394 678171338 /nfs/dbraw/zinc/17/13/38/678171338.db2.gz OEFXSUFKLPCTAK-WDEREUQCSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414865 678171434 /nfs/dbraw/zinc/17/14/34/678171434.db2.gz LZLPPABHHXFLMY-UHFFFAOYSA-N 1 1 308.338 -1.845 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414865 678171439 /nfs/dbraw/zinc/17/14/39/678171439.db2.gz LZLPPABHHXFLMY-UHFFFAOYSA-N 1 1 308.338 -1.845 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414892 678171495 /nfs/dbraw/zinc/17/14/95/678171495.db2.gz MTVPYTUNSAEZEL-SNVBAGLBSA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412536 678171712 /nfs/dbraw/zinc/17/17/12/678171712.db2.gz VQSWGLNQCAUFRQ-VIFPVBQESA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001073486179 678171952 /nfs/dbraw/zinc/17/19/52/678171952.db2.gz UWTMDKCOPVHPBQ-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC001073486179 678171956 /nfs/dbraw/zinc/17/19/56/678171956.db2.gz UWTMDKCOPVHPBQ-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492146 678172033 /nfs/dbraw/zinc/17/20/33/678172033.db2.gz WXDFZVHCQBTCCL-GHMZBOCLSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073491984 678172210 /nfs/dbraw/zinc/17/22/10/678172210.db2.gz PWGWYMAYKYYRFF-SECBINFHSA-N 1 1 308.338 -1.941 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073491984 678172212 /nfs/dbraw/zinc/17/22/12/678172212.db2.gz PWGWYMAYKYYRFF-SECBINFHSA-N 1 1 308.338 -1.941 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073491912 678172218 /nfs/dbraw/zinc/17/22/18/678172218.db2.gz MTRLVRQOFNEUOS-NXEZZACHSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527198 678172719 /nfs/dbraw/zinc/17/27/19/678172719.db2.gz WHGWQWBTHBAIHX-ZJUUUORDSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527198 678172721 /nfs/dbraw/zinc/17/27/21/678172721.db2.gz WHGWQWBTHBAIHX-ZJUUUORDSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527196 678172806 /nfs/dbraw/zinc/17/28/06/678172806.db2.gz WHGWQWBTHBAIHX-UWVGGRQHSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527196 678172809 /nfs/dbraw/zinc/17/28/09/678172809.db2.gz WHGWQWBTHBAIHX-UWVGGRQHSA-N 1 1 323.353 -1.123 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@H]1COCCO1 ZINC001073543822 678173098 /nfs/dbraw/zinc/17/30/98/678173098.db2.gz QDQRHPQQVPWTPP-QWHCGFSZSA-N 1 1 302.371 -1.009 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073578831 678173740 /nfs/dbraw/zinc/17/37/40/678173740.db2.gz XEFQZIVNIAETSS-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564068 678173801 /nfs/dbraw/zinc/17/38/01/678173801.db2.gz QDEFKUGKGBKACW-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564068 678173805 /nfs/dbraw/zinc/17/38/05/678173805.db2.gz QDEFKUGKGBKACW-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564067 678174048 /nfs/dbraw/zinc/17/40/48/678174048.db2.gz QDEFKUGKGBKACW-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564067 678174049 /nfs/dbraw/zinc/17/40/49/678174049.db2.gz QDEFKUGKGBKACW-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073590060 678174520 /nfs/dbraw/zinc/17/45/20/678174520.db2.gz WROWSJLMETWPMP-GHMZBOCLSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073590060 678174522 /nfs/dbraw/zinc/17/45/22/678174522.db2.gz WROWSJLMETWPMP-GHMZBOCLSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073590062 678174578 /nfs/dbraw/zinc/17/45/78/678174578.db2.gz WROWSJLMETWPMP-QWRGUYRKSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073590062 678174579 /nfs/dbraw/zinc/17/45/79/678174579.db2.gz WROWSJLMETWPMP-QWRGUYRKSA-N 1 1 322.369 -1.476 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590093 678174600 /nfs/dbraw/zinc/17/46/00/678174600.db2.gz XEYGDCPOLAVLCC-UWVGGRQHSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590093 678174602 /nfs/dbraw/zinc/17/46/02/678174602.db2.gz XEYGDCPOLAVLCC-UWVGGRQHSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590095 678174643 /nfs/dbraw/zinc/17/46/43/678174643.db2.gz XEYGDCPOLAVLCC-ZJUUUORDSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590095 678174645 /nfs/dbraw/zinc/17/46/45/678174645.db2.gz XEYGDCPOLAVLCC-ZJUUUORDSA-N 1 1 310.358 -1.490 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073591124 678174752 /nfs/dbraw/zinc/17/47/52/678174752.db2.gz DVCWVLFKSJDCSC-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073591124 678174755 /nfs/dbraw/zinc/17/47/55/678174755.db2.gz DVCWVLFKSJDCSC-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)nn1 ZINC001073591864 678175315 /nfs/dbraw/zinc/17/53/15/678175315.db2.gz RRQQSUSTGANGKO-ZYHUDNBSSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)nn1 ZINC001073591864 678175317 /nfs/dbraw/zinc/17/53/17/678175317.db2.gz RRQQSUSTGANGKO-ZYHUDNBSSA-N 1 1 322.369 -1.476 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073594873 678175454 /nfs/dbraw/zinc/17/54/54/678175454.db2.gz APSSALHPNWZRTF-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073594873 678175459 /nfs/dbraw/zinc/17/54/59/678175459.db2.gz APSSALHPNWZRTF-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)c1cccn2nnnc12 ZINC001073616472 678175875 /nfs/dbraw/zinc/17/58/75/678175875.db2.gz XBISOYOIBXKBEG-NSHDSACASA-N 1 1 320.353 -1.063 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)cc1=O ZINC001073642912 678176476 /nfs/dbraw/zinc/17/64/76/678176476.db2.gz XXKJKTZBHLSOGK-LBPRGKRZSA-N 1 1 324.381 -1.017 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648259 678176544 /nfs/dbraw/zinc/17/65/44/678176544.db2.gz WKBHCLRFKHQDCO-ONGXEEELSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648259 678176546 /nfs/dbraw/zinc/17/65/46/678176546.db2.gz WKBHCLRFKHQDCO-ONGXEEELSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703779 678177728 /nfs/dbraw/zinc/17/77/28/678177728.db2.gz XRTRTKNEIWOSBA-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)c1ccc2nnnn2c1 ZINC001073693541 678177955 /nfs/dbraw/zinc/17/79/55/678177955.db2.gz DZGTUUYOAYIEOS-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)c1c[nH]c(=O)cn1 ZINC001073748203 678178958 /nfs/dbraw/zinc/17/89/58/678178958.db2.gz CIMYFPZHIFZDLS-LLVKDONJSA-N 1 1 310.354 -1.027 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748042 678179444 /nfs/dbraw/zinc/17/94/44/678179444.db2.gz APVRZGSTVRLFOU-QWRGUYRKSA-N 1 1 310.354 -1.029 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073818085 678180428 /nfs/dbraw/zinc/18/04/28/678180428.db2.gz BZWAFMZDBSJMOU-CMPLNLGQSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073818085 678180431 /nfs/dbraw/zinc/18/04/31/678180431.db2.gz BZWAFMZDBSJMOU-CMPLNLGQSA-N 1 1 322.369 -1.476 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)c1nc2ncccn2n1 ZINC001073823761 678180611 /nfs/dbraw/zinc/18/06/11/678180611.db2.gz JKHPCFOVEXATOP-LLVKDONJSA-N 1 1 320.353 -1.063 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818264 678180685 /nfs/dbraw/zinc/18/06/85/678180685.db2.gz COCSLSMIMSRHNL-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818264 678180687 /nfs/dbraw/zinc/18/06/87/678180687.db2.gz COCSLSMIMSRHNL-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073818087 678180729 /nfs/dbraw/zinc/18/07/29/678180729.db2.gz BZWAFMZDBSJMOU-PWSUYJOCSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073818087 678180732 /nfs/dbraw/zinc/18/07/32/678180732.db2.gz BZWAFMZDBSJMOU-PWSUYJOCSA-N 1 1 322.369 -1.476 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1)c1nnc[nH]1 ZINC001073825367 678180980 /nfs/dbraw/zinc/18/09/80/678180980.db2.gz LELWJKCRIWIPKF-LLVKDONJSA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828490 678181150 /nfs/dbraw/zinc/18/11/50/678181150.db2.gz WKIIIBBCMDQPBU-KOLCDFICSA-N 1 1 309.326 -1.221 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828490 678181154 /nfs/dbraw/zinc/18/11/54/678181154.db2.gz WKIIIBBCMDQPBU-KOLCDFICSA-N 1 1 309.326 -1.221 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828491 678181463 /nfs/dbraw/zinc/18/14/63/678181463.db2.gz WKIIIBBCMDQPBU-MWLCHTKSSA-N 1 1 309.326 -1.221 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828491 678181466 /nfs/dbraw/zinc/18/14/66/678181466.db2.gz WKIIIBBCMDQPBU-MWLCHTKSSA-N 1 1 309.326 -1.221 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)c[nH]1 ZINC001073891003 678182785 /nfs/dbraw/zinc/18/27/85/678182785.db2.gz KQEOJRCJWGJTMO-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCF)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893056 678182818 /nfs/dbraw/zinc/18/28/18/678182818.db2.gz IYSLPDWXZINGMT-GHMZBOCLSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCF)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893056 678182819 /nfs/dbraw/zinc/18/28/19/678182819.db2.gz IYSLPDWXZINGMT-GHMZBOCLSA-N 1 1 323.390 -1.145 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896324 678183160 /nfs/dbraw/zinc/18/31/60/678183160.db2.gz PUQRQXOXAWKZEU-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001073893578 678183262 /nfs/dbraw/zinc/18/32/62/678183262.db2.gz WRRXCSQZKMOPMT-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)ccc1=O ZINC001073880926 678183281 /nfs/dbraw/zinc/18/32/81/678183281.db2.gz XBMJZUBFYQZUGE-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO CC(C)[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073898882 678183638 /nfs/dbraw/zinc/18/36/38/678183638.db2.gz FIFKLRMLLRGHFI-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073899490 678183646 /nfs/dbraw/zinc/18/36/46/678183646.db2.gz VMZSFQFETQRDGK-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242376 678189034 /nfs/dbraw/zinc/18/90/34/678189034.db2.gz WDIBLRILRXXLTI-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001074242376 678189036 /nfs/dbraw/zinc/18/90/36/678189036.db2.gz WDIBLRILRXXLTI-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2OCCN(CC(N)=O)[C@H]2C1 ZINC001074299774 678190382 /nfs/dbraw/zinc/19/03/82/678190382.db2.gz KHUJUQKNCQUMAT-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001074581847 678197872 /nfs/dbraw/zinc/19/78/72/678197872.db2.gz SMCJNWCWNIIQIN-SRVKXCTJSA-N 1 1 323.401 -1.380 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074618149 678198888 /nfs/dbraw/zinc/19/88/88/678198888.db2.gz YYXWRDBZZFSPIT-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001074675768 678199991 /nfs/dbraw/zinc/19/99/91/678199991.db2.gz JMHWOLUHZDUGAR-AXFHLTTASA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCCNC1=O ZINC001074697415 678200256 /nfs/dbraw/zinc/20/02/56/678200256.db2.gz LIEHCOPGDVSUDW-AXFHLTTASA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702102 678201795 /nfs/dbraw/zinc/20/17/95/678201795.db2.gz NLQNSPBBWOJIOZ-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702552 678202189 /nfs/dbraw/zinc/20/21/89/678202189.db2.gz COMIGADKJSUEPY-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001074722928 678203383 /nfs/dbraw/zinc/20/33/83/678203383.db2.gz DCMZWNGESYRJNF-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001074795007 678204484 /nfs/dbraw/zinc/20/44/84/678204484.db2.gz UFEWEXGQZOINNH-AEJSXWLSSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074844686 678205678 /nfs/dbraw/zinc/20/56/78/678205678.db2.gz SRSPPQIJFCCELZ-GUBZILKMSA-N 1 1 307.358 -1.425 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)C1 ZINC001041100636 678215004 /nfs/dbraw/zinc/21/50/04/678215004.db2.gz RGPHPGOAAVIJMQ-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)C1 ZINC001041100636 678215008 /nfs/dbraw/zinc/21/50/08/678215008.db2.gz RGPHPGOAAVIJMQ-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001019391719 678215941 /nfs/dbraw/zinc/21/59/41/678215941.db2.gz IPJYCWIXBKFPQO-VWYCJHECSA-N 1 1 321.385 -1.198 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019617937 678216483 /nfs/dbraw/zinc/21/64/83/678216483.db2.gz MILRMZKRHQBZBF-VIFPVBQESA-N 1 1 322.325 -1.298 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)F)C2)C1 ZINC001041124777 678216670 /nfs/dbraw/zinc/21/66/70/678216670.db2.gz OKEOGLMJWNQVGQ-SNVBAGLBSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)F)C2)C1 ZINC001041124777 678216671 /nfs/dbraw/zinc/21/66/71/678216671.db2.gz OKEOGLMJWNQVGQ-SNVBAGLBSA-N 1 1 317.361 -1.245 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019629875 678217195 /nfs/dbraw/zinc/21/71/95/678217195.db2.gz RTNRAMBDLHPBOX-VIFPVBQESA-N 1 1 321.341 -1.911 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3csnn3)C2)c1=O ZINC001020327500 678218085 /nfs/dbraw/zinc/21/80/85/678218085.db2.gz FSKGWSLLGBLVJB-KYZUINATSA-N 1 1 323.382 -1.130 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001038276747 678218843 /nfs/dbraw/zinc/21/88/43/678218843.db2.gz XCWCIYCLSWLHGM-RWSFTLGLSA-N 1 1 322.365 -1.235 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001038276747 678218846 /nfs/dbraw/zinc/21/88/46/678218846.db2.gz XCWCIYCLSWLHGM-RWSFTLGLSA-N 1 1 322.365 -1.235 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001020338608 678218862 /nfs/dbraw/zinc/21/88/62/678218862.db2.gz RTNISGYJKXJKRU-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1)OC ZINC001039043073 678221002 /nfs/dbraw/zinc/22/10/02/678221002.db2.gz BZZPBMSGCBQFIW-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038921472 678221423 /nfs/dbraw/zinc/22/14/23/678221423.db2.gz LXYYWWFSWFBAMP-VIFPVBQESA-N 1 1 306.326 -1.396 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1)OC ZINC001039043077 678221436 /nfs/dbraw/zinc/22/14/36/678221436.db2.gz BZZPBMSGCBQFIW-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001039416951 678222536 /nfs/dbraw/zinc/22/25/36/678222536.db2.gz PFZKBVWHAHVUHM-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001039416951 678222538 /nfs/dbraw/zinc/22/25/38/678222538.db2.gz PFZKBVWHAHVUHM-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001039467686 678222922 /nfs/dbraw/zinc/22/29/22/678222922.db2.gz XKKZSPCYHIMICQ-TUAOUCFPSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(N)=O)C1 ZINC001039537407 678222948 /nfs/dbraw/zinc/22/29/48/678222948.db2.gz YZDLXOSGALINJC-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(N)=O)C1 ZINC001039537407 678222951 /nfs/dbraw/zinc/22/29/51/678222951.db2.gz YZDLXOSGALINJC-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001039436295 678223013 /nfs/dbraw/zinc/22/30/13/678223013.db2.gz GLGVYCKSWYJQSF-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001039436295 678223016 /nfs/dbraw/zinc/22/30/16/678223016.db2.gz GLGVYCKSWYJQSF-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001039467687 678223065 /nfs/dbraw/zinc/22/30/65/678223065.db2.gz XKKZSPCYHIMICQ-UTUOFQBUSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001039760082 678228631 /nfs/dbraw/zinc/22/86/31/678228631.db2.gz HFNSRPJUQLVMEI-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039827742 678230280 /nfs/dbraw/zinc/23/02/80/678230280.db2.gz SWDFCWPUFXGOKQ-BETUJISGSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039827742 678230283 /nfs/dbraw/zinc/23/02/83/678230283.db2.gz SWDFCWPUFXGOKQ-BETUJISGSA-N 1 1 310.398 -1.524 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001039885383 678230765 /nfs/dbraw/zinc/23/07/65/678230765.db2.gz GQOUNEARINYQIH-XQQFMLRXSA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001039885383 678230767 /nfs/dbraw/zinc/23/07/67/678230767.db2.gz GQOUNEARINYQIH-XQQFMLRXSA-N 1 1 321.381 -1.205 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040100727 678232913 /nfs/dbraw/zinc/23/29/13/678232913.db2.gz PUBWRIUZGZKXRL-CYBMUJFWSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001040116869 678233141 /nfs/dbraw/zinc/23/31/41/678233141.db2.gz FTVGKKXZJPANOT-HIFRSBDPSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)N1CC[C@](O)(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001040116871 678233312 /nfs/dbraw/zinc/23/33/12/678233312.db2.gz FTVGKKXZJPANOT-ZFWWWQNUSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1)C1CCC1 ZINC001040145855 678233837 /nfs/dbraw/zinc/23/38/37/678233837.db2.gz ABWIFTRLFHWIKJ-CQSZACIVSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001040188520 678234217 /nfs/dbraw/zinc/23/42/17/678234217.db2.gz SBMNLZPUXMWKKB-HZMBPMFUSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001040188520 678234222 /nfs/dbraw/zinc/23/42/22/678234222.db2.gz SBMNLZPUXMWKKB-HZMBPMFUSA-N 1 1 310.354 -1.105 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040245798 678235270 /nfs/dbraw/zinc/23/52/70/678235270.db2.gz XPKQEAUQTPNMPG-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040248129 678235572 /nfs/dbraw/zinc/23/55/72/678235572.db2.gz NRRHNUCVNWDYCR-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001040265801 678236792 /nfs/dbraw/zinc/23/67/92/678236792.db2.gz RYIAFRAEQFDEFR-FZMZJTMJSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269067 678237042 /nfs/dbraw/zinc/23/70/42/678237042.db2.gz NYNLVUPIDXJVMM-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269067 678237046 /nfs/dbraw/zinc/23/70/46/678237046.db2.gz NYNLVUPIDXJVMM-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269067 678237049 /nfs/dbraw/zinc/23/70/49/678237049.db2.gz NYNLVUPIDXJVMM-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040269319 678237257 /nfs/dbraw/zinc/23/72/57/678237257.db2.gz QMHGTHHYQBEDND-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269319 678237259 /nfs/dbraw/zinc/23/72/59/678237259.db2.gz QMHGTHHYQBEDND-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269319 678237262 /nfs/dbraw/zinc/23/72/62/678237262.db2.gz QMHGTHHYQBEDND-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001040269068 678237463 /nfs/dbraw/zinc/23/74/63/678237463.db2.gz NYNLVUPIDXJVMM-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269068 678237468 /nfs/dbraw/zinc/23/74/68/678237468.db2.gz NYNLVUPIDXJVMM-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001040269068 678237469 /nfs/dbraw/zinc/23/74/69/678237469.db2.gz NYNLVUPIDXJVMM-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001040329972 678238681 /nfs/dbraw/zinc/23/86/81/678238681.db2.gz YRHSBOZOIBQLLK-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001040329972 678238684 /nfs/dbraw/zinc/23/86/84/678238684.db2.gz YRHSBOZOIBQLLK-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO COCC(=O)N1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001040315883 678238764 /nfs/dbraw/zinc/23/87/64/678238764.db2.gz KXYOVZPJBYNHEU-AWEZNQCLSA-N 1 1 310.354 -1.082 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040367565 678239440 /nfs/dbraw/zinc/23/94/40/678239440.db2.gz XSASUUIHAAKDRW-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040367565 678239441 /nfs/dbraw/zinc/23/94/41/678239441.db2.gz XSASUUIHAAKDRW-CYBMUJFWSA-N 1 1 317.411 -1.169 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC001040367756 678239497 /nfs/dbraw/zinc/23/94/97/678239497.db2.gz AAFCOGDJEKGZQJ-OAHLLOKOSA-N 1 1 323.397 -1.189 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040360371 678239509 /nfs/dbraw/zinc/23/95/09/678239509.db2.gz KKPLRSXSLIUDRE-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040367566 678239552 /nfs/dbraw/zinc/23/95/52/678239552.db2.gz XSASUUIHAAKDRW-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001040367566 678239554 /nfs/dbraw/zinc/23/95/54/678239554.db2.gz XSASUUIHAAKDRW-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001040360097 678239626 /nfs/dbraw/zinc/23/96/26/678239626.db2.gz KKPLRSXSLIUDRE-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040452160 678241248 /nfs/dbraw/zinc/24/12/48/678241248.db2.gz WQPRKSIWFQJPPI-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001040495105 678242630 /nfs/dbraw/zinc/24/26/30/678242630.db2.gz JHVVUCFMLXINTI-BXUZGUMPSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001040495107 678242712 /nfs/dbraw/zinc/24/27/12/678242712.db2.gz JHVVUCFMLXINTI-RISCZKNCSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040495868 678242876 /nfs/dbraw/zinc/24/28/76/678242876.db2.gz PHSLRNDLYFVSRB-QMTHXVAHSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040495868 678242878 /nfs/dbraw/zinc/24/28/78/678242878.db2.gz PHSLRNDLYFVSRB-QMTHXVAHSA-N 1 1 322.369 -1.408 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001040545707 678243474 /nfs/dbraw/zinc/24/34/74/678243474.db2.gz YSDKTBGBPBPDGD-HZMBPMFUSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001040545707 678243478 /nfs/dbraw/zinc/24/34/78/678243478.db2.gz YSDKTBGBPBPDGD-HZMBPMFUSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040545336 678243492 /nfs/dbraw/zinc/24/34/92/678243492.db2.gz UEIZKQPJVQTXSJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040545336 678243494 /nfs/dbraw/zinc/24/34/94/678243494.db2.gz UEIZKQPJVQTXSJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001040663919 678247751 /nfs/dbraw/zinc/24/77/51/678247751.db2.gz AJQVHIYFHIDMDM-FZMZJTMJSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001040663920 678247888 /nfs/dbraw/zinc/24/78/88/678247888.db2.gz AJQVHIYFHIDMDM-RISCZKNCSA-N 1 1 323.353 -1.143 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040745388 678251680 /nfs/dbraw/zinc/25/16/80/678251680.db2.gz AKZZFGPBOCFJFW-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040921883 678257927 /nfs/dbraw/zinc/25/79/27/678257927.db2.gz FKFQRFPMTKOAGN-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040927838 678258433 /nfs/dbraw/zinc/25/84/33/678258433.db2.gz YWQLGRMKMUBNBL-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)nc(C)[nH+]1 ZINC001041005596 678260784 /nfs/dbraw/zinc/26/07/84/678260784.db2.gz GGKXKIMFSWQAGQ-GMTAPVOTSA-N 1 1 321.337 -1.132 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001041027615 678261273 /nfs/dbraw/zinc/26/12/73/678261273.db2.gz XCCNLOSFBAAOQN-MQYJIDSJSA-N 1 1 323.393 -1.051 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001041036751 678262134 /nfs/dbraw/zinc/26/21/34/678262134.db2.gz SZTSRYJTONFCEW-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001041047647 678262613 /nfs/dbraw/zinc/26/26/13/678262613.db2.gz QQVPMFYMEOZLCH-LXVYMNJGSA-N 1 1 309.366 -1.441 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001041053704 678263301 /nfs/dbraw/zinc/26/33/01/678263301.db2.gz MFOSNMGCWDQCDR-SMDDNHRTSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(O)(CNC(=O)C2CC2)C1 ZINC001041087733 678264212 /nfs/dbraw/zinc/26/42/12/678264212.db2.gz VQPDKWRQXDHZOO-UHFFFAOYSA-N 1 1 311.382 -1.192 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167792 678268906 /nfs/dbraw/zinc/26/89/06/678268906.db2.gz RNEVKIYAQYYZEO-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)nc(C)[nH+]1 ZINC001041178520 678269030 /nfs/dbraw/zinc/26/90/30/678269030.db2.gz LUVKTSHUMQKHSV-GHMZBOCLSA-N 1 1 318.341 -1.554 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041217590 678272199 /nfs/dbraw/zinc/27/21/99/678272199.db2.gz DNOFCKMMJZHALD-CYBMUJFWSA-N 1 1 308.342 -1.607 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041227379 678272217 /nfs/dbraw/zinc/27/22/17/678272217.db2.gz IJJJMGKXNPZMNJ-WFASDCNBSA-N 1 1 310.398 -1.273 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041239452 678272471 /nfs/dbraw/zinc/27/24/71/678272471.db2.gz JIZPBAAWKPVXFF-HNNXBMFYSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnccn2)C1 ZINC001041254487 678272648 /nfs/dbraw/zinc/27/26/48/678272648.db2.gz BHCLHAVGYNKHIJ-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001041237934 678272720 /nfs/dbraw/zinc/27/27/20/678272720.db2.gz CCCGLICCWLKPKG-YGRLFVJLSA-N 1 1 310.354 -1.235 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041303465 678275091 /nfs/dbraw/zinc/27/50/91/678275091.db2.gz MALHKPBDEDAMMB-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041303465 678275095 /nfs/dbraw/zinc/27/50/95/678275095.db2.gz MALHKPBDEDAMMB-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001041308811 678275873 /nfs/dbraw/zinc/27/58/73/678275873.db2.gz GRMQDXOJSHWTKE-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001041308813 678275955 /nfs/dbraw/zinc/27/59/55/678275955.db2.gz GRMQDXOJSHWTKE-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCO3)C2)C1 ZINC001041352369 678279585 /nfs/dbraw/zinc/27/95/85/678279585.db2.gz DTEPBBLXAKCNFF-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCO3)C2)C1 ZINC001041352373 678279765 /nfs/dbraw/zinc/27/97/65/678279765.db2.gz DTEPBBLXAKCNFF-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041366755 678281045 /nfs/dbraw/zinc/28/10/45/678281045.db2.gz APBIJBBPWCSFFC-HZMBPMFUSA-N 1 1 310.354 -1.499 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041366756 678281052 /nfs/dbraw/zinc/28/10/52/678281052.db2.gz APBIJBBPWCSFFC-IINYFYTJSA-N 1 1 310.354 -1.499 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041368300 678281135 /nfs/dbraw/zinc/28/11/35/678281135.db2.gz LMERCDMCSKJINX-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001041410604 678285885 /nfs/dbraw/zinc/28/58/85/678285885.db2.gz PFKOUOFBDJJZTL-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001041422767 678286372 /nfs/dbraw/zinc/28/63/72/678286372.db2.gz QBYQQMGSAQINMC-AWEZNQCLSA-N 1 1 309.370 -1.502 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001041437812 678287773 /nfs/dbraw/zinc/28/77/73/678287773.db2.gz RVMRIFBXYSZSJO-OAHLLOKOSA-N 1 1 323.397 -1.189 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041450749 678288187 /nfs/dbraw/zinc/28/81/87/678288187.db2.gz WKTAHHNNZVRGBR-OAHLLOKOSA-N 1 1 322.365 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001041464671 678288680 /nfs/dbraw/zinc/28/86/80/678288680.db2.gz SAKRICSFKYTXDC-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)ncc1=O ZINC001041486268 678289834 /nfs/dbraw/zinc/28/98/34/678289834.db2.gz LZHXOAZQGHAGHY-OAHLLOKOSA-N 1 1 319.365 -1.196 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001041540819 678290557 /nfs/dbraw/zinc/29/05/57/678290557.db2.gz QKYHMEYRGXDQAV-XHDPSFHLSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001041540810 678290680 /nfs/dbraw/zinc/29/06/80/678290680.db2.gz QKYHMEYRGXDQAV-ABAIWWIYSA-N 1 1 308.382 -1.207 20 0 DAADMO COCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041539391 678290788 /nfs/dbraw/zinc/29/07/88/678290788.db2.gz GWLSSZNGZSFROB-MRXNPFEDSA-N 1 1 324.425 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041563823 678291111 /nfs/dbraw/zinc/29/11/11/678291111.db2.gz LTVFCROJTRBMIM-NOZJJQNGSA-N 1 1 307.358 -1.378 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001041616128 678294894 /nfs/dbraw/zinc/29/48/94/678294894.db2.gz KZCNJFVGRVNCHM-IAQYHMDHSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041657448 678296444 /nfs/dbraw/zinc/29/64/44/678296444.db2.gz LNFFGAXGGIYIRY-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041658061 678296480 /nfs/dbraw/zinc/29/64/80/678296480.db2.gz UZTHMIDFLPKJJK-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041658061 678296481 /nfs/dbraw/zinc/29/64/81/678296481.db2.gz UZTHMIDFLPKJJK-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041666849 678297635 /nfs/dbraw/zinc/29/76/35/678297635.db2.gz BBFKDNIKHAXKME-JQWIXIFHSA-N 1 1 321.381 -1.090 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744172 678301211 /nfs/dbraw/zinc/30/12/11/678301211.db2.gz XMGOXGAPMLAAFD-AWEZNQCLSA-N 1 1 323.353 -2.052 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041742369 678301222 /nfs/dbraw/zinc/30/12/22/678301222.db2.gz BETSOSBVZMIGHZ-CQSZACIVSA-N 1 1 310.354 -1.545 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757344 678301378 /nfs/dbraw/zinc/30/13/78/678301378.db2.gz SJEBGBFAMFSRHB-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001041769576 678302710 /nfs/dbraw/zinc/30/27/10/678302710.db2.gz UABFWOMKBYHEJO-SNVBAGLBSA-N 1 1 310.354 -1.084 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1=O ZINC001041819390 678303844 /nfs/dbraw/zinc/30/38/44/678303844.db2.gz GBAZWFRWJNTMQB-HNNXBMFYSA-N 1 1 324.381 -1.203 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820469 678303859 /nfs/dbraw/zinc/30/38/59/678303859.db2.gz QWTGRSUWEAMYCA-XHDPSFHLSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041819658 678303896 /nfs/dbraw/zinc/30/38/96/678303896.db2.gz ISGITQAIFAUKRE-AWEZNQCLSA-N 1 1 310.354 -1.545 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820466 678303972 /nfs/dbraw/zinc/30/39/72/678303972.db2.gz QWTGRSUWEAMYCA-ABAIWWIYSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041823916 678304494 /nfs/dbraw/zinc/30/44/94/678304494.db2.gz RCSLBFCQRQDNRX-ABAIWWIYSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)n(C)c1=O ZINC001041849196 678304806 /nfs/dbraw/zinc/30/48/06/678304806.db2.gz SEBKMGBUEMXERW-OAHLLOKOSA-N 1 1 321.381 -1.253 20 0 DAADMO CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001041868192 678305065 /nfs/dbraw/zinc/30/50/65/678305065.db2.gz GOEPLTJWGMBKCN-STQMWFEESA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC001041868192 678305069 /nfs/dbraw/zinc/30/50/69/678305069.db2.gz GOEPLTJWGMBKCN-STQMWFEESA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041860351 678305309 /nfs/dbraw/zinc/30/53/09/678305309.db2.gz CHIKYOCQHXBLBS-NHYWBVRUSA-N 1 1 309.366 -1.044 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041860352 678305417 /nfs/dbraw/zinc/30/54/17/678305417.db2.gz CHIKYOCQHXBLBS-XHDPSFHLSA-N 1 1 309.366 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001041883449 678306132 /nfs/dbraw/zinc/30/61/32/678306132.db2.gz IEXSCJMDEFPLGQ-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001041885036 678306632 /nfs/dbraw/zinc/30/66/32/678306632.db2.gz WBGNLZPVSDTODV-GFCCVEGCSA-N 1 1 322.365 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001041884966 678306770 /nfs/dbraw/zinc/30/67/70/678306770.db2.gz VDVAZCORQGWNJF-LBPRGKRZSA-N 1 1 322.365 -1.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001041930054 678308062 /nfs/dbraw/zinc/30/80/62/678308062.db2.gz WOQSRFRSQNHJHG-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007102 678310278 /nfs/dbraw/zinc/31/02/78/678310278.db2.gz STNBQCDDMGOQCS-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042007106 678310292 /nfs/dbraw/zinc/31/02/92/678310292.db2.gz STNBQCDDMGOQCS-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042022136 678310632 /nfs/dbraw/zinc/31/06/32/678310632.db2.gz VTLYQEPEAQFQAD-ZJUUUORDSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042022136 678310634 /nfs/dbraw/zinc/31/06/34/678310634.db2.gz VTLYQEPEAQFQAD-ZJUUUORDSA-N 1 1 308.342 -1.608 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001042033104 678311012 /nfs/dbraw/zinc/31/10/12/678311012.db2.gz QPAPESALRQROOU-AAEUAGOBSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001042033104 678311014 /nfs/dbraw/zinc/31/10/14/678311014.db2.gz QPAPESALRQROOU-AAEUAGOBSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)n1 ZINC001042066887 678312529 /nfs/dbraw/zinc/31/25/29/678312529.db2.gz LKISQLURVZRQSS-MNOVXSKESA-N 1 1 322.369 -1.708 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001042061767 678312585 /nfs/dbraw/zinc/31/25/85/678312585.db2.gz WAMWQWFRKUJQDL-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001042060830 678312790 /nfs/dbraw/zinc/31/27/90/678312790.db2.gz PWAZENRTBFGUHD-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042067246 678312818 /nfs/dbraw/zinc/31/28/18/678312818.db2.gz FLGRSMQQUONRHF-MNOVXSKESA-N 1 1 324.381 -1.951 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001042061768 678312832 /nfs/dbraw/zinc/31/28/32/678312832.db2.gz WAMWQWFRKUJQDL-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO Cn1nccc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042092332 678314288 /nfs/dbraw/zinc/31/42/88/678314288.db2.gz MWDSOBZARLVBIU-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001042091583 678314331 /nfs/dbraw/zinc/31/43/31/678314331.db2.gz CETHIYOGZXWOHT-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001042091435 678314528 /nfs/dbraw/zinc/31/45/28/678314528.db2.gz AIXUWSUJMKGHJK-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001042098102 678314851 /nfs/dbraw/zinc/31/48/51/678314851.db2.gz NCNNTPAKODMWLU-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001042098102 678314859 /nfs/dbraw/zinc/31/48/59/678314859.db2.gz NCNNTPAKODMWLU-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001042098102 678314862 /nfs/dbraw/zinc/31/48/62/678314862.db2.gz NCNNTPAKODMWLU-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042103137 678314959 /nfs/dbraw/zinc/31/49/59/678314959.db2.gz BRJDPKJTSCPGDS-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001042098008 678315103 /nfs/dbraw/zinc/31/51/03/678315103.db2.gz LTKYKKNJVFIKDI-SECBINFHSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001042098008 678315105 /nfs/dbraw/zinc/31/51/05/678315105.db2.gz LTKYKKNJVFIKDI-SECBINFHSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 ZINC001042097494 678315136 /nfs/dbraw/zinc/31/51/36/678315136.db2.gz INQUEMJMHHDHJH-NSHDSACASA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098788 678315246 /nfs/dbraw/zinc/31/52/46/678315246.db2.gz SLFTYBKKJIJHPT-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098788 678315248 /nfs/dbraw/zinc/31/52/48/678315248.db2.gz SLFTYBKKJIJHPT-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042096104 678315351 /nfs/dbraw/zinc/31/53/51/678315351.db2.gz AZCDDZWWYUTSEZ-QWHCGFSZSA-N 1 1 311.382 -1.240 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001042103782 678315413 /nfs/dbraw/zinc/31/54/13/678315413.db2.gz IINAXYPSEPSIPX-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001042097834 678315454 /nfs/dbraw/zinc/31/54/54/678315454.db2.gz KGGQLFPJYNJRTG-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042104904 678315851 /nfs/dbraw/zinc/31/58/51/678315851.db2.gz UHBYMRAEXJHOGG-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042104904 678315855 /nfs/dbraw/zinc/31/58/55/678315855.db2.gz UHBYMRAEXJHOGG-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001042105293 678315910 /nfs/dbraw/zinc/31/59/10/678315910.db2.gz YNBIDYXHEZYICA-SECBINFHSA-N 1 1 323.357 -2.393 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001042104883 678316027 /nfs/dbraw/zinc/31/60/27/678316027.db2.gz SYTHDPPCJKVGBG-XQHKEYJVSA-N 1 1 323.393 -1.338 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042105226 678316285 /nfs/dbraw/zinc/31/62/85/678316285.db2.gz XKQVIBZDPPFIKQ-JTQLQIEISA-N 1 1 322.369 -1.490 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)CC1=O ZINC001042120232 678316506 /nfs/dbraw/zinc/31/65/06/678316506.db2.gz QKCOGMPJGGWLGS-ZIAGYGMSSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CCCO)[C@H]3C2)c1=O ZINC001042124027 678316976 /nfs/dbraw/zinc/31/69/76/678316976.db2.gz YAKADJGOEBXZHI-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001042136434 678317140 /nfs/dbraw/zinc/31/71/40/678317140.db2.gz VHMKMBXYJHAELB-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001042136434 678317143 /nfs/dbraw/zinc/31/71/43/678317143.db2.gz VHMKMBXYJHAELB-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CCCO)[C@@H]3C2)c1=O ZINC001042124026 678317290 /nfs/dbraw/zinc/31/72/90/678317290.db2.gz YAKADJGOEBXZHI-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182028 678317712 /nfs/dbraw/zinc/31/77/12/678317712.db2.gz BLRZGQSLVIWCHK-VXGBXAGGSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042182028 678317715 /nfs/dbraw/zinc/31/77/15/678317715.db2.gz BLRZGQSLVIWCHK-VXGBXAGGSA-N 1 1 323.397 -2.174 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)ncc1=O ZINC001042159935 678317742 /nfs/dbraw/zinc/31/77/42/678317742.db2.gz IJIQHAHCLFKKLV-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)ncc1=O ZINC001042159935 678317746 /nfs/dbraw/zinc/31/77/46/678317746.db2.gz IJIQHAHCLFKKLV-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)c1=O ZINC001042163164 678317832 /nfs/dbraw/zinc/31/78/32/678317832.db2.gz PLNKMOFRMNWFAS-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001042206033 678317952 /nfs/dbraw/zinc/31/79/52/678317952.db2.gz CGHKUGMGAIVJJV-GXSJLCMTSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@H]21 ZINC001042206033 678317955 /nfs/dbraw/zinc/31/79/55/678317955.db2.gz CGHKUGMGAIVJJV-GXSJLCMTSA-N 1 1 305.338 -1.208 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 ZINC001042205266 678318243 /nfs/dbraw/zinc/31/82/43/678318243.db2.gz ABSXIAKZIXYHGO-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 ZINC001042205266 678318244 /nfs/dbraw/zinc/31/82/44/678318244.db2.gz ABSXIAKZIXYHGO-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042185551 678318301 /nfs/dbraw/zinc/31/83/01/678318301.db2.gz UTHSUERAWPEBMQ-QWHCGFSZSA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042185550 678318418 /nfs/dbraw/zinc/31/84/18/678318418.db2.gz UTHSUERAWPEBMQ-OLZOCXBDSA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042211527 678318735 /nfs/dbraw/zinc/31/87/35/678318735.db2.gz SIGCETVEPSTCCK-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042211527 678318737 /nfs/dbraw/zinc/31/87/37/678318737.db2.gz SIGCETVEPSTCCK-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001042210714 678318750 /nfs/dbraw/zinc/31/87/50/678318750.db2.gz LYUDYVBJMQKTPE-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042211528 678318794 /nfs/dbraw/zinc/31/87/94/678318794.db2.gz SIGCETVEPSTCCK-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042211528 678318795 /nfs/dbraw/zinc/31/87/95/678318795.db2.gz SIGCETVEPSTCCK-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223372 678321122 /nfs/dbraw/zinc/32/11/22/678321122.db2.gz LPUPEAXOTMVKFK-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042223385 678321428 /nfs/dbraw/zinc/32/14/28/678321428.db2.gz MFPUAVMZPHRRLU-UWVGGRQHSA-N 1 1 312.370 -2.251 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042231225 678322174 /nfs/dbraw/zinc/32/21/74/678322174.db2.gz CDDUGYMJAPQZED-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042264961 678323612 /nfs/dbraw/zinc/32/36/12/678323612.db2.gz BTJZVSWBNUDMMR-ONGXEEELSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 ZINC001042264961 678323617 /nfs/dbraw/zinc/32/36/17/678323617.db2.gz BTJZVSWBNUDMMR-ONGXEEELSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042264753 678323836 /nfs/dbraw/zinc/32/38/36/678323836.db2.gz BGUFKRGZOKZWAX-PWSUYJOCSA-N 1 1 309.366 -1.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001042269254 678323916 /nfs/dbraw/zinc/32/39/16/678323916.db2.gz FCPHSCDKXTYCDU-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042271895 678323933 /nfs/dbraw/zinc/32/39/33/678323933.db2.gz HQPALJKRVHYKJW-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042271897 678324010 /nfs/dbraw/zinc/32/40/10/678324010.db2.gz HQPALJKRVHYKJW-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042286918 678324244 /nfs/dbraw/zinc/32/42/44/678324244.db2.gz DODHEIFJLKJLSH-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001042294473 678324304 /nfs/dbraw/zinc/32/43/04/678324304.db2.gz DYURSDIBTILTQP-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001042294473 678324308 /nfs/dbraw/zinc/32/43/08/678324308.db2.gz DYURSDIBTILTQP-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001042294159 678324357 /nfs/dbraw/zinc/32/43/57/678324357.db2.gz AXENMROVVVATNF-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001042294159 678324358 /nfs/dbraw/zinc/32/43/58/678324358.db2.gz AXENMROVVVATNF-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001042294412 678324370 /nfs/dbraw/zinc/32/43/70/678324370.db2.gz CQXKMZODXWBNHQ-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001042294412 678324372 /nfs/dbraw/zinc/32/43/72/678324372.db2.gz CQXKMZODXWBNHQ-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273622 678324433 /nfs/dbraw/zinc/32/44/33/678324433.db2.gz UBMHSVPTRBJYCM-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001042273622 678324435 /nfs/dbraw/zinc/32/44/35/678324435.db2.gz UBMHSVPTRBJYCM-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001042294810 678324455 /nfs/dbraw/zinc/32/44/55/678324455.db2.gz JEAXVRMAUBNUFK-VIFPVBQESA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001042294810 678324457 /nfs/dbraw/zinc/32/44/57/678324457.db2.gz JEAXVRMAUBNUFK-VIFPVBQESA-N 1 1 324.341 -2.562 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042294563 678324530 /nfs/dbraw/zinc/32/45/30/678324530.db2.gz GGCNPNYUAMAARE-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042294563 678324533 /nfs/dbraw/zinc/32/45/33/678324533.db2.gz GGCNPNYUAMAARE-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)F)C2)C1 ZINC001042296170 678325017 /nfs/dbraw/zinc/32/50/17/678325017.db2.gz XMXQQQWZTWISRC-JTQLQIEISA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)F)C2)C1 ZINC001042296170 678325019 /nfs/dbraw/zinc/32/50/19/678325019.db2.gz XMXQQQWZTWISRC-JTQLQIEISA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299775 678325158 /nfs/dbraw/zinc/32/51/58/678325158.db2.gz IAKYMTHXTPFQJI-UTUOFQBUSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299775 678325164 /nfs/dbraw/zinc/32/51/64/678325164.db2.gz IAKYMTHXTPFQJI-UTUOFQBUSA-N 1 1 311.382 -1.338 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295823 678325173 /nfs/dbraw/zinc/32/51/73/678325173.db2.gz SZXWUYLCDFJXNJ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295823 678325176 /nfs/dbraw/zinc/32/51/76/678325176.db2.gz SZXWUYLCDFJXNJ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)/C=C/C3CC3)C2)C1 ZINC001042300607 678325191 /nfs/dbraw/zinc/32/51/91/678325191.db2.gz WRWJMHWYFKPBSM-IHVVCDCBSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)/C=C/C3CC3)C2)C1 ZINC001042300607 678325196 /nfs/dbraw/zinc/32/51/96/678325196.db2.gz WRWJMHWYFKPBSM-IHVVCDCBSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001042300633 678325213 /nfs/dbraw/zinc/32/52/13/678325213.db2.gz XTSSCFLZNGWIAY-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnco3)C2)C1 ZINC001042300633 678325216 /nfs/dbraw/zinc/32/52/16/678325216.db2.gz XTSSCFLZNGWIAY-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO CC(C)=CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295739 678325246 /nfs/dbraw/zinc/32/52/46/678325246.db2.gz RYYZDZOHQAAYBJ-LBPRGKRZSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)=CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295739 678325251 /nfs/dbraw/zinc/32/52/51/678325251.db2.gz RYYZDZOHQAAYBJ-LBPRGKRZSA-N 1 1 311.382 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001042299548 678325297 /nfs/dbraw/zinc/32/52/97/678325297.db2.gz DKDBSENYPLSPFZ-JTQLQIEISA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001042299548 678325301 /nfs/dbraw/zinc/32/53/01/678325301.db2.gz DKDBSENYPLSPFZ-JTQLQIEISA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccco3)C2)C1 ZINC001042296057 678325411 /nfs/dbraw/zinc/32/54/11/678325411.db2.gz WXABPHLBTOBUNR-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccco3)C2)C1 ZINC001042296057 678325413 /nfs/dbraw/zinc/32/54/13/678325413.db2.gz WXABPHLBTOBUNR-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001042296237 678325419 /nfs/dbraw/zinc/32/54/19/678325419.db2.gz YNHNHSRZRZUUIA-SNVBAGLBSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001042296237 678325421 /nfs/dbraw/zinc/32/54/21/678325421.db2.gz YNHNHSRZRZUUIA-SNVBAGLBSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)C1 ZINC001042295645 678325553 /nfs/dbraw/zinc/32/55/53/678325553.db2.gz RGBDLDDOIYYPLS-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CCC3)C2)C1 ZINC001042295645 678325557 /nfs/dbraw/zinc/32/55/57/678325557.db2.gz RGBDLDDOIYYPLS-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001042296052 678325585 /nfs/dbraw/zinc/32/55/85/678325585.db2.gz WWBXZJOLIZLTQP-MRVPVSSYSA-N 1 1 307.297 -1.728 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001042296052 678325586 /nfs/dbraw/zinc/32/55/86/678325586.db2.gz WWBXZJOLIZLTQP-MRVPVSSYSA-N 1 1 307.297 -1.728 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)c(=O)n1C ZINC001042333370 678325991 /nfs/dbraw/zinc/32/59/91/678325991.db2.gz OALHUTKCKWPNKT-STQMWFEESA-N 1 1 323.397 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345014 678326475 /nfs/dbraw/zinc/32/64/75/678326475.db2.gz GNEGDXKAWJKIAH-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345014 678326479 /nfs/dbraw/zinc/32/64/79/678326479.db2.gz GNEGDXKAWJKIAH-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)ccc1=O ZINC001042343215 678326559 /nfs/dbraw/zinc/32/65/59/678326559.db2.gz YRPGGYDGPNGBBZ-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)ccc1=O ZINC001042343215 678326561 /nfs/dbraw/zinc/32/65/61/678326561.db2.gz YRPGGYDGPNGBBZ-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345012 678326615 /nfs/dbraw/zinc/32/66/15/678326615.db2.gz GNEGDXKAWJKIAH-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 ZINC001042345012 678326617 /nfs/dbraw/zinc/32/66/17/678326617.db2.gz GNEGDXKAWJKIAH-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345013 678326825 /nfs/dbraw/zinc/32/68/25/678326825.db2.gz GNEGDXKAWJKIAH-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001042345013 678326828 /nfs/dbraw/zinc/32/68/28/678326828.db2.gz GNEGDXKAWJKIAH-UWVGGRQHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)nn1 ZINC001042368963 678327386 /nfs/dbraw/zinc/32/73/86/678327386.db2.gz UDAQLWUSVMHBNW-PWSUYJOCSA-N 1 1 322.369 -1.708 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)nn1 ZINC001042368961 678327405 /nfs/dbraw/zinc/32/74/05/678327405.db2.gz UDAQLWUSVMHBNW-CMPLNLGQSA-N 1 1 322.369 -1.708 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042456001 678328829 /nfs/dbraw/zinc/32/88/29/678328829.db2.gz VWJOFMOYMBUYKG-LBPRGKRZSA-N 1 1 320.357 -1.927 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042569412 678332704 /nfs/dbraw/zinc/33/27/04/678332704.db2.gz CIMXXFMRZBYSQY-DGCLKSJQSA-N 1 1 312.414 -1.064 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042569412 678332707 /nfs/dbraw/zinc/33/27/07/678332707.db2.gz CIMXXFMRZBYSQY-DGCLKSJQSA-N 1 1 312.414 -1.064 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cnnn2C)C1 ZINC001042573513 678332806 /nfs/dbraw/zinc/33/28/06/678332806.db2.gz KZRUICYWONLABX-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cnnn2C)C1 ZINC001042573513 678332808 /nfs/dbraw/zinc/33/28/08/678332808.db2.gz KZRUICYWONLABX-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042572946 678332811 /nfs/dbraw/zinc/33/28/11/678332811.db2.gz ANWFNSDAJPFBRN-PWSUYJOCSA-N 1 1 323.401 -1.256 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042572946 678332813 /nfs/dbraw/zinc/33/28/13/678332813.db2.gz ANWFNSDAJPFBRN-PWSUYJOCSA-N 1 1 323.401 -1.256 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCCNC2=O)C1 ZINC001042573550 678332944 /nfs/dbraw/zinc/33/29/44/678332944.db2.gz MCPCARVTJRJVGI-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCCNC2=O)C1 ZINC001042573550 678332948 /nfs/dbraw/zinc/33/29/48/678332948.db2.gz MCPCARVTJRJVGI-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042569414 678333017 /nfs/dbraw/zinc/33/30/17/678333017.db2.gz CIMXXFMRZBYSQY-YPMHNXCESA-N 1 1 312.414 -1.064 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042569414 678333020 /nfs/dbraw/zinc/33/30/20/678333020.db2.gz CIMXXFMRZBYSQY-YPMHNXCESA-N 1 1 312.414 -1.064 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC001042573819 678333340 /nfs/dbraw/zinc/33/33/40/678333340.db2.gz VDNWGXLGNYHGFG-LLVKDONJSA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC001042573819 678333342 /nfs/dbraw/zinc/33/33/42/678333342.db2.gz VDNWGXLGNYHGFG-LLVKDONJSA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nncn2C)C1 ZINC001042573808 678333650 /nfs/dbraw/zinc/33/36/50/678333650.db2.gz UUAKNKBSLMJKHZ-LBPRGKRZSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nncn2C)C1 ZINC001042573808 678333654 /nfs/dbraw/zinc/33/36/54/678333654.db2.gz UUAKNKBSLMJKHZ-LBPRGKRZSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042669821 678336852 /nfs/dbraw/zinc/33/68/52/678336852.db2.gz MXJUMJGBJMZMQB-NEPJUHHUSA-N 1 1 323.353 -1.505 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042669822 678337026 /nfs/dbraw/zinc/33/70/26/678337026.db2.gz MXJUMJGBJMZMQB-NWDGAFQWSA-N 1 1 323.353 -1.505 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 ZINC001042707621 678339323 /nfs/dbraw/zinc/33/93/23/678339323.db2.gz XAXVXIJWGXFCPC-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042722295 678340427 /nfs/dbraw/zinc/34/04/27/678340427.db2.gz FBTMNXNXBQXCOT-SNVBAGLBSA-N 1 1 312.370 -2.094 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042729836 678341886 /nfs/dbraw/zinc/34/18/86/678341886.db2.gz PQZSWGDWNIIGRY-GFCCVEGCSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)C1C[NH+](CCCO)C1 ZINC001042850792 678348926 /nfs/dbraw/zinc/34/89/26/678348926.db2.gz BCRAOYJFLQOFFB-UHFFFAOYSA-N 1 1 305.400 -1.453 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042850991 678348958 /nfs/dbraw/zinc/34/89/58/678348958.db2.gz BLUZRHZPYFFDOW-NSHDSACASA-N 1 1 324.381 -1.276 20 0 DAADMO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042850523 678349218 /nfs/dbraw/zinc/34/92/18/678349218.db2.gz ZVQSYHCSJRITDN-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042850990 678349302 /nfs/dbraw/zinc/34/93/02/678349302.db2.gz BLUZRHZPYFFDOW-LLVKDONJSA-N 1 1 324.381 -1.276 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001042892476 678352957 /nfs/dbraw/zinc/35/29/57/678352957.db2.gz XDFWDADJPHOONI-NSHDSACASA-N 1 1 322.369 -1.788 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042935036 678356082 /nfs/dbraw/zinc/35/60/82/678356082.db2.gz LQLIZUMPDSAALI-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3cnnn3)C2)C1 ZINC001043113255 678364991 /nfs/dbraw/zinc/36/49/91/678364991.db2.gz JFFUVQYSXKARLG-SNVBAGLBSA-N 1 1 323.357 -2.686 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001043113436 678365119 /nfs/dbraw/zinc/36/51/19/678365119.db2.gz LGBFHFDBLWWJEP-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3cnnn3)C2)C1 ZINC001043113254 678365247 /nfs/dbraw/zinc/36/52/47/678365247.db2.gz JFFUVQYSXKARLG-JTQLQIEISA-N 1 1 323.357 -2.686 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043114758 678365292 /nfs/dbraw/zinc/36/52/92/678365292.db2.gz ARVHYKZYVHALTG-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114758 678365294 /nfs/dbraw/zinc/36/52/94/678365294.db2.gz ARVHYKZYVHALTG-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001043113226 678365389 /nfs/dbraw/zinc/36/53/89/678365389.db2.gz INORUVQDWUUVBS-GHMZBOCLSA-N 1 1 324.381 -2.094 20 0 DAADMO Cn1nccc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043112498 678365406 /nfs/dbraw/zinc/36/54/06/678365406.db2.gz APIDZKVEDQIBTK-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001043114264 678365475 /nfs/dbraw/zinc/36/54/75/678365475.db2.gz VGFAQPVHQHAAJJ-NWDGAFQWSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001043117163 678365881 /nfs/dbraw/zinc/36/58/81/678365881.db2.gz UKQQIETUFNIXGU-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001043117163 678365885 /nfs/dbraw/zinc/36/58/85/678365885.db2.gz UKQQIETUFNIXGU-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001043117163 678365891 /nfs/dbraw/zinc/36/58/91/678365891.db2.gz UKQQIETUFNIXGU-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001043116525 678366088 /nfs/dbraw/zinc/36/60/88/678366088.db2.gz ONNGWBIRFAKQES-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001043115587 678366163 /nfs/dbraw/zinc/36/61/63/678366163.db2.gz INORUVQDWUUVBS-QWRGUYRKSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)C1 ZINC001043114976 678366202 /nfs/dbraw/zinc/36/62/02/678366202.db2.gz CQJJFBPMRXRXKH-LLVKDONJSA-N 1 1 322.369 -2.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001043116201 678366242 /nfs/dbraw/zinc/36/62/42/678366242.db2.gz NPBCSYUEMFSTIB-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043119280 678366448 /nfs/dbraw/zinc/36/64/48/678366448.db2.gz YIYLFTGIJXCHSS-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001043119062 678366592 /nfs/dbraw/zinc/36/65/92/678366592.db2.gz TZWBHDKHUFWPIM-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043121446 678367240 /nfs/dbraw/zinc/36/72/40/678367240.db2.gz ZQNLRTAPVZZBOK-SNVBAGLBSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043121446 678367241 /nfs/dbraw/zinc/36/72/41/678367241.db2.gz ZQNLRTAPVZZBOK-SNVBAGLBSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043121446 678367245 /nfs/dbraw/zinc/36/72/45/678367245.db2.gz ZQNLRTAPVZZBOK-SNVBAGLBSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001043130123 678368054 /nfs/dbraw/zinc/36/80/54/678368054.db2.gz LJPARFDSXJTRJS-UHFFFAOYSA-N 1 1 324.341 -2.451 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001043129631 678368230 /nfs/dbraw/zinc/36/82/30/678368230.db2.gz DFJJYLWTBMCPIA-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001043129631 678368234 /nfs/dbraw/zinc/36/82/34/678368234.db2.gz DFJJYLWTBMCPIA-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043210856 678371641 /nfs/dbraw/zinc/37/16/41/678371641.db2.gz JUPGFFNYRHSPJW-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001043235666 678373657 /nfs/dbraw/zinc/37/36/57/678373657.db2.gz YPJJYUOBLKAVMQ-GHMZBOCLSA-N 1 1 324.381 -1.822 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)CC[N@H+]1C ZINC001043267106 678374122 /nfs/dbraw/zinc/37/41/22/678374122.db2.gz QCCPZBFLGONUCI-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001043286741 678374557 /nfs/dbraw/zinc/37/45/57/678374557.db2.gz OFHZSXIBXXGSKY-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001043286741 678374561 /nfs/dbraw/zinc/37/45/61/678374561.db2.gz OFHZSXIBXXGSKY-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)C1 ZINC001043287083 678374683 /nfs/dbraw/zinc/37/46/83/678374683.db2.gz SWZZEYBERZOEOG-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)C1 ZINC001043287083 678374686 /nfs/dbraw/zinc/37/46/86/678374686.db2.gz SWZZEYBERZOEOG-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001043287416 678374829 /nfs/dbraw/zinc/37/48/29/678374829.db2.gz WMWGBRFHOWLISK-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001043287416 678374833 /nfs/dbraw/zinc/37/48/33/678374833.db2.gz WMWGBRFHOWLISK-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001043362465 678376410 /nfs/dbraw/zinc/37/64/10/678376410.db2.gz QPJBABBZCUQURN-OZVIIMIRSA-N 1 1 323.393 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCCS2(=O)=O)C1 ZINC001043358786 678376461 /nfs/dbraw/zinc/37/64/61/678376461.db2.gz AMRVVFBQEJGCKR-NSHDSACASA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392025 678377203 /nfs/dbraw/zinc/37/72/03/678377203.db2.gz OMBHWHSPRADCBS-WXPRMRQPSA-N 1 1 322.409 -1.134 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001043430929 678380043 /nfs/dbraw/zinc/38/00/43/678380043.db2.gz OESHUEFAWNZKDF-UHFFFAOYSA-N 1 1 311.342 -1.287 20 0 DAADMO CC(=O)N1CC(O)(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001043455318 678381218 /nfs/dbraw/zinc/38/12/18/678381218.db2.gz NPXLSZJGBIMFKS-LBPRGKRZSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043530640 678384352 /nfs/dbraw/zinc/38/43/52/678384352.db2.gz RMKPEPRGSAODPV-STQMWFEESA-N 1 1 321.381 -1.477 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043613338 678387044 /nfs/dbraw/zinc/38/70/44/678387044.db2.gz RVUZQNGSHWWLAR-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO Cn1cncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043750623 678393350 /nfs/dbraw/zinc/39/33/50/678393350.db2.gz OCZBJVDVHIECPJ-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043771804 678394171 /nfs/dbraw/zinc/39/41/71/678394171.db2.gz ZHXHKEJDXYAFGH-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO Cc1cc(N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)nc(C)[nH+]1 ZINC001043780486 678394584 /nfs/dbraw/zinc/39/45/84/678394584.db2.gz PSJVVKNZXXQZHN-WDEREUQCSA-N 1 1 305.338 -1.005 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813736 678398568 /nfs/dbraw/zinc/39/85/68/678398568.db2.gz RCWHGMRCXHUGRB-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813736 678398564 /nfs/dbraw/zinc/39/85/64/678398564.db2.gz RCWHGMRCXHUGRB-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813736 678398571 /nfs/dbraw/zinc/39/85/71/678398571.db2.gz RCWHGMRCXHUGRB-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043815765 678399465 /nfs/dbraw/zinc/39/94/65/678399465.db2.gz LQGKMJXUCILIHG-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043815765 678399469 /nfs/dbraw/zinc/39/94/69/678399469.db2.gz LQGKMJXUCILIHG-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043815765 678399471 /nfs/dbraw/zinc/39/94/71/678399471.db2.gz LQGKMJXUCILIHG-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO Cn1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001043879591 678402616 /nfs/dbraw/zinc/40/26/16/678402616.db2.gz CIQCJZIFKICNMC-NSHDSACASA-N 1 1 322.369 -1.788 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001043887366 678404344 /nfs/dbraw/zinc/40/43/44/678404344.db2.gz SJWSTRRDUYREOL-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO Cc1ccnc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043898848 678405020 /nfs/dbraw/zinc/40/50/20/678405020.db2.gz QQJPQGMYNNQNDP-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccnc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043898848 678405022 /nfs/dbraw/zinc/40/50/22/678405022.db2.gz QQJPQGMYNNQNDP-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043912160 678405393 /nfs/dbraw/zinc/40/53/93/678405393.db2.gz LZXBFOBFNKHWJQ-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001043912111 678405563 /nfs/dbraw/zinc/40/55/63/678405563.db2.gz JQBLKRSXOCYQIK-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043979940 678407926 /nfs/dbraw/zinc/40/79/26/678407926.db2.gz UUYPYYSNVYDYEQ-AGIUHOORSA-N 1 1 321.381 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043979940 678407928 /nfs/dbraw/zinc/40/79/28/678407928.db2.gz UUYPYYSNVYDYEQ-AGIUHOORSA-N 1 1 321.381 -1.137 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001043999620 678408438 /nfs/dbraw/zinc/40/84/38/678408438.db2.gz AISPURCNABGNOI-MRVPVSSYSA-N 1 1 312.326 -2.070 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001043999622 678408503 /nfs/dbraw/zinc/40/85/03/678408503.db2.gz AISPURCNABGNOI-QMMMGPOBSA-N 1 1 312.326 -2.070 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1C[NH+](CCCF)C1 ZINC001044002824 678408714 /nfs/dbraw/zinc/40/87/14/678408714.db2.gz OSXUTDYAEPVHLF-UHFFFAOYSA-N 1 1 314.317 -1.091 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)c3cnon3)C2)C1 ZINC001044011096 678409551 /nfs/dbraw/zinc/40/95/51/678409551.db2.gz JTIDOAVYXCMAEI-JTQLQIEISA-N 1 1 323.353 -1.286 20 0 DAADMO CC[C@@H](C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1)[NH+](C)C ZINC001044041922 678409865 /nfs/dbraw/zinc/40/98/65/678409865.db2.gz RVMJTBVDVVVAIG-LBPRGKRZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044207236 678415815 /nfs/dbraw/zinc/41/58/15/678415815.db2.gz LUVKTSHUMQKHSV-MNOVXSKESA-N 1 1 318.341 -1.554 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001044235573 678416033 /nfs/dbraw/zinc/41/60/33/678416033.db2.gz GCFIZUIQSLJKBQ-MQYJIDSJSA-N 1 1 323.393 -1.051 20 0 DAADMO CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1C[NH+](CCCO)C1 ZINC001044261233 678416694 /nfs/dbraw/zinc/41/66/94/678416694.db2.gz WPVPEPLTLYZITG-UHFFFAOYSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)Cn1cncn1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001044269666 678418072 /nfs/dbraw/zinc/41/80/72/678418072.db2.gz NVEHFBOEKKJUIH-ZDUSSCGKSA-N 1 1 319.369 -1.322 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001044292022 678418675 /nfs/dbraw/zinc/41/86/75/678418675.db2.gz HXQRGJDZZWJXMN-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001044292026 678418876 /nfs/dbraw/zinc/41/88/76/678418876.db2.gz HXQRGJDZZWJXMN-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001044291227 678418909 /nfs/dbraw/zinc/41/89/09/678418909.db2.gz ONPHQYPPZVWWMX-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CC(=O)NC)C1 ZINC001044298309 678419107 /nfs/dbraw/zinc/41/91/07/678419107.db2.gz JDSJEBPUJDJTDD-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001044308370 678419132 /nfs/dbraw/zinc/41/91/32/678419132.db2.gz FLUSMRSKQHISMQ-ONGXEEELSA-N 1 1 305.400 -1.144 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001044308368 678419239 /nfs/dbraw/zinc/41/92/39/678419239.db2.gz FLUSMRSKQHISMQ-MWLCHTKSSA-N 1 1 305.400 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001044307981 678419388 /nfs/dbraw/zinc/41/93/88/678419388.db2.gz ZXJRDWCBDDURSF-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001044297672 678419630 /nfs/dbraw/zinc/41/96/30/678419630.db2.gz BHHCDFUCUZIGIQ-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO CC[C@@H](C[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001044334403 678420621 /nfs/dbraw/zinc/42/06/21/678420621.db2.gz KLSAIVWOKKNTMI-NSHDSACASA-N 1 1 324.385 -1.055 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001044374562 678422297 /nfs/dbraw/zinc/42/22/97/678422297.db2.gz AGALAGBDCORAKX-UHFFFAOYSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044373372 678422320 /nfs/dbraw/zinc/42/23/20/678422320.db2.gz GYIYLTDTGDIXTN-UTUOFQBUSA-N 1 1 319.365 -1.105 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044451799 678427718 /nfs/dbraw/zinc/42/77/18/678427718.db2.gz KRJARNZDIQJIFA-GHMZBOCLSA-N 1 1 324.381 -2.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044451800 678427799 /nfs/dbraw/zinc/42/77/99/678427799.db2.gz KRJARNZDIQJIFA-MNOVXSKESA-N 1 1 324.381 -2.236 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044457117 678428321 /nfs/dbraw/zinc/42/83/21/678428321.db2.gz FOBDXIHCCYZZEF-AXFHLTTASA-N 1 1 320.353 -1.559 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776170 678435570 /nfs/dbraw/zinc/43/55/70/678435570.db2.gz ISCLBNNRQKXFHO-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776170 678435574 /nfs/dbraw/zinc/43/55/74/678435574.db2.gz ISCLBNNRQKXFHO-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776170 678435579 /nfs/dbraw/zinc/43/55/79/678435579.db2.gz ISCLBNNRQKXFHO-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776170 678435583 /nfs/dbraw/zinc/43/55/83/678435583.db2.gz ISCLBNNRQKXFHO-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776170 678435588 /nfs/dbraw/zinc/43/55/88/678435588.db2.gz ISCLBNNRQKXFHO-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776261 678435634 /nfs/dbraw/zinc/43/56/34/678435634.db2.gz JMIVHYZTSQQBRQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776261 678435640 /nfs/dbraw/zinc/43/56/40/678435640.db2.gz JMIVHYZTSQQBRQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776261 678435645 /nfs/dbraw/zinc/43/56/45/678435645.db2.gz JMIVHYZTSQQBRQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776261 678435649 /nfs/dbraw/zinc/43/56/49/678435649.db2.gz JMIVHYZTSQQBRQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776261 678435654 /nfs/dbraw/zinc/43/56/54/678435654.db2.gz JMIVHYZTSQQBRQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001044776507 678435912 /nfs/dbraw/zinc/43/59/12/678435912.db2.gz LUHGRLYCBJSKGK-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044776507 678435913 /nfs/dbraw/zinc/43/59/13/678435913.db2.gz LUHGRLYCBJSKGK-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044776507 678435914 /nfs/dbraw/zinc/43/59/14/678435914.db2.gz LUHGRLYCBJSKGK-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044776507 678435915 /nfs/dbraw/zinc/43/59/15/678435915.db2.gz LUHGRLYCBJSKGK-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044776507 678435916 /nfs/dbraw/zinc/43/59/16/678435916.db2.gz LUHGRLYCBJSKGK-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001044917324 678439665 /nfs/dbraw/zinc/43/96/65/678439665.db2.gz DCGOPSOJTMXOEN-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2cnnn2)nn1 ZINC001044915406 678439723 /nfs/dbraw/zinc/43/97/23/678439723.db2.gz QMGQQVSYGDGCNV-NSHDSACASA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001044917261 678439752 /nfs/dbraw/zinc/43/97/52/678439752.db2.gz AHRZWGXIEQVLJJ-VIFPVBQESA-N 1 1 306.334 -2.023 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2cnnn2)[nH]1 ZINC001044914394 678439812 /nfs/dbraw/zinc/43/98/12/678439812.db2.gz FMJKZNWGLFEXTP-JTQLQIEISA-N 1 1 305.346 -1.120 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001044890430 678439908 /nfs/dbraw/zinc/43/99/08/678439908.db2.gz QAKZKJSXCUCWHD-SRVKXCTJSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001044890430 678439910 /nfs/dbraw/zinc/43/99/10/678439910.db2.gz QAKZKJSXCUCWHD-SRVKXCTJSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001044927298 678440377 /nfs/dbraw/zinc/44/03/77/678440377.db2.gz HALLUQIYDKZPJO-SECBINFHSA-N 1 1 323.357 -2.393 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001044967042 678442747 /nfs/dbraw/zinc/44/27/47/678442747.db2.gz IXIXZDXKVJNFBD-JTQLQIEISA-N 1 1 322.369 -1.236 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)C1 ZINC001045012341 678443734 /nfs/dbraw/zinc/44/37/34/678443734.db2.gz NAVLTHSZLBTWKG-LBPRGKRZSA-N 1 1 321.385 -1.231 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001045018305 678444342 /nfs/dbraw/zinc/44/43/42/678444342.db2.gz WNLJOKGEFNRUGC-WUHRBBMRSA-N 1 1 323.393 -1.480 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2ncnn2)n1 ZINC001045038169 678444731 /nfs/dbraw/zinc/44/47/31/678444731.db2.gz SHUFIXFDWHKXTK-NSHDSACASA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001045078121 678445428 /nfs/dbraw/zinc/44/54/28/678445428.db2.gz ATHOVUZJIDEETA-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3cnoc3)C2)C1 ZINC001045113811 678446566 /nfs/dbraw/zinc/44/65/66/678446566.db2.gz KBIDXVXJRHARNY-GFCCVEGCSA-N 1 1 322.365 -1.142 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001045150091 678447122 /nfs/dbraw/zinc/44/71/22/678447122.db2.gz BPTQQBGDKGEVJI-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045146959 678447266 /nfs/dbraw/zinc/44/72/66/678447266.db2.gz AXJCFFSHZWUBNZ-LBPRGKRZSA-N 1 1 322.369 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001045175958 678447971 /nfs/dbraw/zinc/44/79/71/678447971.db2.gz QYKVTQFQVSMKSV-IUCAKERBSA-N 1 1 308.346 -2.028 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001045176138 678448041 /nfs/dbraw/zinc/44/80/41/678448041.db2.gz YPBVUHUXJYEWPG-VHSXEESVSA-N 1 1 307.358 -1.125 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001045175386 678448462 /nfs/dbraw/zinc/44/84/62/678448462.db2.gz FABISCBHDVVODI-UWVGGRQHSA-N 1 1 307.358 -1.423 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045185081 678449204 /nfs/dbraw/zinc/44/92/04/678449204.db2.gz YANOZMYVBPMROF-JTQLQIEISA-N 1 1 309.326 -1.533 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192746 678449674 /nfs/dbraw/zinc/44/96/74/678449674.db2.gz BRVVPOBSWCFOAQ-JTQLQIEISA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ncccn3)C2)C1 ZINC001045213000 678451181 /nfs/dbraw/zinc/45/11/81/678451181.db2.gz YOKJWCHZTZYPPX-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001045251105 678452513 /nfs/dbraw/zinc/45/25/13/678452513.db2.gz DJISUTQEPRWHTN-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045277621 678453927 /nfs/dbraw/zinc/45/39/27/678453927.db2.gz VJYATWNUASYVNJ-LLVKDONJSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045301364 678454891 /nfs/dbraw/zinc/45/48/91/678454891.db2.gz BXEZBBRJNQLREU-JTQLQIEISA-N 1 1 322.325 -1.298 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001045496759 678460231 /nfs/dbraw/zinc/46/02/31/678460231.db2.gz MYVCKZIVVSTLQQ-WDEREUQCSA-N 1 1 324.381 -1.964 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045497081 678460553 /nfs/dbraw/zinc/46/05/53/678460553.db2.gz WDFNSDOJIOAHMC-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045504222 678461806 /nfs/dbraw/zinc/46/18/06/678461806.db2.gz KKYVXXCTXMFMJM-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509312 678462788 /nfs/dbraw/zinc/46/27/88/678462788.db2.gz HYMARYARPSIYRX-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509880 678462816 /nfs/dbraw/zinc/46/28/16/678462816.db2.gz UGQJLQGXFKTUKA-SNVBAGLBSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)c1=O ZINC001045520946 678464587 /nfs/dbraw/zinc/46/45/87/678464587.db2.gz DPIOYLQKAVHZBY-UHFFFAOYSA-N 1 1 323.353 -1.445 20 0 DAADMO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)c3ncn[nH]3)C2)CC1 ZINC001045683166 678468942 /nfs/dbraw/zinc/46/89/42/678468942.db2.gz ZMEZHAASMWIBFA-SNVBAGLBSA-N 1 1 322.369 -1.109 20 0 DAADMO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)c3ncn[nH]3)C2)CC1 ZINC001045683165 678469128 /nfs/dbraw/zinc/46/91/28/678469128.db2.gz ZMEZHAASMWIBFA-JTQLQIEISA-N 1 1 322.369 -1.109 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1=O ZINC001045797311 678470909 /nfs/dbraw/zinc/47/09/09/678470909.db2.gz AFWTWBQINAWEIC-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)cc1=O ZINC001045797311 678470914 /nfs/dbraw/zinc/47/09/14/678470914.db2.gz AFWTWBQINAWEIC-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1=O ZINC001045806131 678471151 /nfs/dbraw/zinc/47/11/51/678471151.db2.gz QJDRUWPZEXXFEW-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045892617 678471430 /nfs/dbraw/zinc/47/14/30/678471430.db2.gz LFIHEJJYXLRYJO-WOPDTQHZSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045892616 678471657 /nfs/dbraw/zinc/47/16/57/678471657.db2.gz LFIHEJJYXLRYJO-GRYCIOLGSA-N 1 1 317.411 -1.264 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001045831900 678471684 /nfs/dbraw/zinc/47/16/84/678471684.db2.gz VACAFGLXZYJADA-OUAUKWLOSA-N 1 1 319.369 -1.223 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001045839719 678471693 /nfs/dbraw/zinc/47/16/93/678471693.db2.gz YSALAHGAWDQRHV-AGIUHOORSA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001045998667 678472050 /nfs/dbraw/zinc/47/20/50/678472050.db2.gz CFIPKBPDKNADQZ-GFCCVEGCSA-N 1 1 324.381 -1.422 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001045998667 678472052 /nfs/dbraw/zinc/47/20/52/678472052.db2.gz CFIPKBPDKNADQZ-GFCCVEGCSA-N 1 1 324.381 -1.422 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002188 678472181 /nfs/dbraw/zinc/47/21/81/678472181.db2.gz SEHPPWYRAITCBE-LLVKDONJSA-N 1 1 322.373 -2.623 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002188 678472184 /nfs/dbraw/zinc/47/21/84/678472184.db2.gz SEHPPWYRAITCBE-LLVKDONJSA-N 1 1 322.373 -2.623 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046007278 678472254 /nfs/dbraw/zinc/47/22/54/678472254.db2.gz BRMZAPOOCHLONK-LLVKDONJSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046007278 678472257 /nfs/dbraw/zinc/47/22/57/678472257.db2.gz BRMZAPOOCHLONK-LLVKDONJSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002189 678472411 /nfs/dbraw/zinc/47/24/11/678472411.db2.gz SEHPPWYRAITCBE-NSHDSACASA-N 1 1 322.373 -2.623 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002189 678472412 /nfs/dbraw/zinc/47/24/12/678472412.db2.gz SEHPPWYRAITCBE-NSHDSACASA-N 1 1 322.373 -2.623 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046018121 678472822 /nfs/dbraw/zinc/47/28/22/678472822.db2.gz UTUYTTLSMOEOQO-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001046009899 678472847 /nfs/dbraw/zinc/47/28/47/678472847.db2.gz FTROADXHNBTZAZ-KGLIPLIRSA-N 1 1 323.441 -1.216 20 0 DAADMO O=C(CCc1nnc[nH]1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046017397 678472894 /nfs/dbraw/zinc/47/28/94/678472894.db2.gz LWTBIXMIASOSCJ-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046017397 678472895 /nfs/dbraw/zinc/47/28/95/678472895.db2.gz LWTBIXMIASOSCJ-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046017397 678472897 /nfs/dbraw/zinc/47/28/97/678472897.db2.gz LWTBIXMIASOSCJ-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024014 678473018 /nfs/dbraw/zinc/47/30/18/678473018.db2.gz BRLCOFRSNHFGOW-NEPJUHHUSA-N 1 1 312.370 -1.694 20 0 DAADMO Cn1nccc1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046010582 678473124 /nfs/dbraw/zinc/47/31/24/678473124.db2.gz OUCQLEIQVDILAP-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1nccc1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046010582 678473125 /nfs/dbraw/zinc/47/31/25/678473125.db2.gz OUCQLEIQVDILAP-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)c1 ZINC001046019335 678473156 /nfs/dbraw/zinc/47/31/56/678473156.db2.gz CLLQYPLWEYRRDI-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC001046019335 678473158 /nfs/dbraw/zinc/47/31/58/678473158.db2.gz CLLQYPLWEYRRDI-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017638 678473242 /nfs/dbraw/zinc/47/32/42/678473242.db2.gz PVKJWOSLTHTTCR-WDEREUQCSA-N 1 1 311.386 -2.046 20 0 DAADMO O=C([C@H]1COCCO1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046009775 678473339 /nfs/dbraw/zinc/47/33/39/678473339.db2.gz ZWXPSOHLJPUBNE-ZIAGYGMSSA-N 1 1 313.398 -1.387 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cocn3)CC2)C1 ZINC001046012333 678473396 /nfs/dbraw/zinc/47/33/96/678473396.db2.gz NRINAVOXCFNQFC-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cocn3)CC2)C1 ZINC001046012333 678473398 /nfs/dbraw/zinc/47/33/98/678473398.db2.gz NRINAVOXCFNQFC-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccon3)CC2)C1 ZINC001046008916 678473405 /nfs/dbraw/zinc/47/34/05/678473405.db2.gz ISJLWCXLZCGFMB-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccon3)CC2)C1 ZINC001046008916 678473408 /nfs/dbraw/zinc/47/34/08/678473408.db2.gz ISJLWCXLZCGFMB-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cocn3)CC2)C1 ZINC001046012335 678473437 /nfs/dbraw/zinc/47/34/37/678473437.db2.gz NRINAVOXCFNQFC-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cocn3)CC2)C1 ZINC001046012335 678473441 /nfs/dbraw/zinc/47/34/41/678473441.db2.gz NRINAVOXCFNQFC-NSHDSACASA-N 1 1 307.354 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032315 678473749 /nfs/dbraw/zinc/47/37/49/678473749.db2.gz AJRBGQQIIDFSMT-ZIAGYGMSSA-N 1 1 322.413 -1.123 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046024610 678473803 /nfs/dbraw/zinc/47/38/03/678473803.db2.gz OWUDIRQEUCXSSG-OAHLLOKOSA-N 1 1 324.425 -1.325 20 0 DAADMO CN1C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CC1=O ZINC001046033192 678473994 /nfs/dbraw/zinc/47/39/94/678473994.db2.gz AHLLENIUUHVHPM-ZIAGYGMSSA-N 1 1 324.425 -1.325 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046035961 678474051 /nfs/dbraw/zinc/47/40/51/678474051.db2.gz XLPBSFJLIGSVOK-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC001046029543 678474172 /nfs/dbraw/zinc/47/41/72/678474172.db2.gz WJROZUBMGSVKPS-CYBMUJFWSA-N 1 1 324.425 -1.005 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC001046029543 678474174 /nfs/dbraw/zinc/47/41/74/678474174.db2.gz WJROZUBMGSVKPS-CYBMUJFWSA-N 1 1 324.425 -1.005 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025583 678474200 /nfs/dbraw/zinc/47/42/00/678474200.db2.gz IMEVVBVFUHILDF-LLVKDONJSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025583 678474201 /nfs/dbraw/zinc/47/42/01/678474201.db2.gz IMEVVBVFUHILDF-LLVKDONJSA-N 1 1 306.370 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046050247 678474480 /nfs/dbraw/zinc/47/44/80/678474480.db2.gz IGEGREIKNVBXSJ-LBPRGKRZSA-N 1 1 308.386 -1.062 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046050247 678474482 /nfs/dbraw/zinc/47/44/82/678474482.db2.gz IGEGREIKNVBXSJ-LBPRGKRZSA-N 1 1 308.386 -1.062 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046050247 678474484 /nfs/dbraw/zinc/47/44/84/678474484.db2.gz IGEGREIKNVBXSJ-LBPRGKRZSA-N 1 1 308.386 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049601 678474507 /nfs/dbraw/zinc/47/45/07/678474507.db2.gz SMAZQYZUOBCLPM-NEPJUHHUSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049601 678474510 /nfs/dbraw/zinc/47/45/10/678474510.db2.gz SMAZQYZUOBCLPM-NEPJUHHUSA-N 1 1 323.397 -2.174 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042801 678474519 /nfs/dbraw/zinc/47/45/19/678474519.db2.gz MZXIJDIHUZAERJ-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049118 678474687 /nfs/dbraw/zinc/47/46/87/678474687.db2.gz JWZIYZOOBYFUGD-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3csnn3)CC2)C1 ZINC001046048403 678474771 /nfs/dbraw/zinc/47/47/71/678474771.db2.gz VFRRHPWTQVSJPF-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3csnn3)CC2)C1 ZINC001046048403 678474773 /nfs/dbraw/zinc/47/47/73/678474773.db2.gz VFRRHPWTQVSJPF-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046053686 678474852 /nfs/dbraw/zinc/47/48/52/678474852.db2.gz FRYCMASBWMJLLJ-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042883 678474973 /nfs/dbraw/zinc/47/49/73/678474973.db2.gz PDILDLAMQPGIRH-WDEREUQCSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042883 678474977 /nfs/dbraw/zinc/47/49/77/678474977.db2.gz PDILDLAMQPGIRH-WDEREUQCSA-N 1 1 321.385 -1.489 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046050246 678475019 /nfs/dbraw/zinc/47/50/19/678475019.db2.gz IGEGREIKNVBXSJ-GFCCVEGCSA-N 1 1 308.386 -1.062 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046050246 678475021 /nfs/dbraw/zinc/47/50/21/678475021.db2.gz IGEGREIKNVBXSJ-GFCCVEGCSA-N 1 1 308.386 -1.062 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046050246 678475024 /nfs/dbraw/zinc/47/50/24/678475024.db2.gz IGEGREIKNVBXSJ-GFCCVEGCSA-N 1 1 308.386 -1.062 20 0 DAADMO C[C@]1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CNC(=O)C1 ZINC001046047854 678475086 /nfs/dbraw/zinc/47/50/86/678475086.db2.gz ZMQWESMCZBEKBC-CZUORRHYSA-N 1 1 324.425 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049117 678475145 /nfs/dbraw/zinc/47/51/45/678475145.db2.gz JWZIYZOOBYFUGD-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056211 678475471 /nfs/dbraw/zinc/47/54/71/678475471.db2.gz BQSRHFGXGATGHO-NSHDSACASA-N 1 1 321.385 -1.981 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056211 678475473 /nfs/dbraw/zinc/47/54/73/678475473.db2.gz BQSRHFGXGATGHO-NSHDSACASA-N 1 1 321.385 -1.981 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046056738 678475511 /nfs/dbraw/zinc/47/55/11/678475511.db2.gz IDSLPCAUJABPLJ-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046055493 678475552 /nfs/dbraw/zinc/47/55/52/678475552.db2.gz PUNWOZGBYDRFSE-GFCCVEGCSA-N 1 1 323.401 -1.311 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046055597 678475712 /nfs/dbraw/zinc/47/57/12/678475712.db2.gz FRYCMASBWMJLLJ-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056764 678475810 /nfs/dbraw/zinc/47/58/10/678475810.db2.gz IJLUKUSHKOZMRD-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057668 678475872 /nfs/dbraw/zinc/47/58/72/678475872.db2.gz SXUONOGDJHQUIF-CYBMUJFWSA-N 1 1 320.397 -1.376 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046056254 678475917 /nfs/dbraw/zinc/47/59/17/678475917.db2.gz CSCJDMJZYRNQQX-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058493 678476178 /nfs/dbraw/zinc/47/61/78/678476178.db2.gz LNSGCVVSTAVMQP-CHWSQXEVSA-N 1 1 324.425 -1.149 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058496 678476301 /nfs/dbraw/zinc/47/63/01/678476301.db2.gz LNSGCVVSTAVMQP-STQMWFEESA-N 1 1 324.425 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058508 678476431 /nfs/dbraw/zinc/47/64/31/678476431.db2.gz MNFANZDBJDMCNB-MNOVXSKESA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058508 678476436 /nfs/dbraw/zinc/47/64/36/678476436.db2.gz MNFANZDBJDMCNB-MNOVXSKESA-N 1 1 324.385 -2.628 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CCNC1=O ZINC001046060567 678476515 /nfs/dbraw/zinc/47/65/15/678476515.db2.gz BWRHCBMYVKGALL-XJKSGUPXSA-N 1 1 324.425 -1.277 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057854 678476549 /nfs/dbraw/zinc/47/65/49/678476549.db2.gz YTSLQESOEMQHBA-NEPJUHHUSA-N 1 1 323.397 -2.079 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057855 678476605 /nfs/dbraw/zinc/47/66/05/678476605.db2.gz YTSLQESOEMQHBA-NWDGAFQWSA-N 1 1 323.397 -2.079 20 0 DAADMO C[C@]1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CCNC1=O ZINC001046060563 678476704 /nfs/dbraw/zinc/47/67/04/678476704.db2.gz BWRHCBMYVKGALL-BBRMVZONSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073957 678476942 /nfs/dbraw/zinc/47/69/42/678476942.db2.gz PXHAIUMQLZZNRT-GFCCVEGCSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073957 678476947 /nfs/dbraw/zinc/47/69/47/678476947.db2.gz PXHAIUMQLZZNRT-GFCCVEGCSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C(CCn1cnnn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046073722 678477368 /nfs/dbraw/zinc/47/73/68/678477368.db2.gz KYNJSQZVIYMPEL-CYBMUJFWSA-N 1 1 323.401 -1.726 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079204 678477398 /nfs/dbraw/zinc/47/73/98/678477398.db2.gz QTAFGFQAMVKUMU-STQMWFEESA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079204 678477401 /nfs/dbraw/zinc/47/74/01/678477401.db2.gz QTAFGFQAMVKUMU-STQMWFEESA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079204 678477404 /nfs/dbraw/zinc/47/74/04/678477404.db2.gz QTAFGFQAMVKUMU-STQMWFEESA-N 1 1 322.413 -1.054 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001046083512 678478243 /nfs/dbraw/zinc/47/82/43/678478243.db2.gz SBJZYEAIRKLURD-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001046205815 678478926 /nfs/dbraw/zinc/47/89/26/678478926.db2.gz AMEKWARHERMTOO-UHFFFAOYSA-N 1 1 313.333 -1.196 20 0 DAADMO Cn1nncc1C(=O)N[C@@]1(C)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046286416 678480477 /nfs/dbraw/zinc/48/04/77/678480477.db2.gz WTOIOCUEFYUKIG-OTYXRUKQSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001046286416 678480480 /nfs/dbraw/zinc/48/04/80/678480480.db2.gz WTOIOCUEFYUKIG-OTYXRUKQSA-N 1 1 320.353 -1.186 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001046271423 678480663 /nfs/dbraw/zinc/48/06/63/678480663.db2.gz LFCBZKQQBLGMKB-DOMZBBRYSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001046271423 678480665 /nfs/dbraw/zinc/48/06/65/678480665.db2.gz LFCBZKQQBLGMKB-DOMZBBRYSA-N 1 1 308.382 -1.066 20 0 DAADMO COCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001046308841 678481104 /nfs/dbraw/zinc/48/11/04/678481104.db2.gz INUOBMYCHBJPLY-HZMBPMFUSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001046308841 678481107 /nfs/dbraw/zinc/48/11/07/678481107.db2.gz INUOBMYCHBJPLY-HZMBPMFUSA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296496 678481170 /nfs/dbraw/zinc/48/11/70/678481170.db2.gz NKUQJZWWCWVDSP-OTYXRUKQSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296496 678481173 /nfs/dbraw/zinc/48/11/73/678481173.db2.gz NKUQJZWWCWVDSP-OTYXRUKQSA-N 1 1 320.353 -1.186 20 0 DAADMO COCCn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001046308844 678481231 /nfs/dbraw/zinc/48/12/31/678481231.db2.gz INUOBMYCHBJPLY-IINYFYTJSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001046308844 678481233 /nfs/dbraw/zinc/48/12/33/678481233.db2.gz INUOBMYCHBJPLY-IINYFYTJSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000900740381 678481771 /nfs/dbraw/zinc/48/17/71/678481771.db2.gz FMCFSSOALQLJRL-HOSYDEDBSA-N 1 1 305.400 -1.408 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000900797719 678482937 /nfs/dbraw/zinc/48/29/37/678482937.db2.gz WQNJLLXLTNMLCW-HIFRSBDPSA-N 1 1 322.413 -1.123 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000900807168 678482942 /nfs/dbraw/zinc/48/29/42/678482942.db2.gz BETMSJOTWGDRPE-YOEYROIRSA-N 1 1 317.455 -1.036 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000900807168 678482943 /nfs/dbraw/zinc/48/29/43/678482943.db2.gz BETMSJOTWGDRPE-YOEYROIRSA-N 1 1 317.455 -1.036 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046502584 678483353 /nfs/dbraw/zinc/48/33/53/678483353.db2.gz KSQOPTVNVDJCLB-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046502584 678483357 /nfs/dbraw/zinc/48/33/57/678483357.db2.gz KSQOPTVNVDJCLB-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1nc(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001046520778 678483397 /nfs/dbraw/zinc/48/33/97/678483397.db2.gz GELVGLCOIRKZKO-CYBMUJFWSA-N 1 1 320.357 -1.120 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046537339 678484195 /nfs/dbraw/zinc/48/41/95/678484195.db2.gz MSVAKBFKMGVQCR-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046537339 678484197 /nfs/dbraw/zinc/48/41/97/678484197.db2.gz MSVAKBFKMGVQCR-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046538759 678484262 /nfs/dbraw/zinc/48/42/62/678484262.db2.gz LMBDRJKCHKLYJH-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046538759 678484263 /nfs/dbraw/zinc/48/42/63/678484263.db2.gz LMBDRJKCHKLYJH-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046539440 678484472 /nfs/dbraw/zinc/48/44/72/678484472.db2.gz QALHLUJKQFLWFR-RISCZKNCSA-N 1 1 306.370 -1.005 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046535454 678484563 /nfs/dbraw/zinc/48/45/63/678484563.db2.gz IPHMOANFAWLZFV-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001046546019 678484851 /nfs/dbraw/zinc/48/48/51/678484851.db2.gz CBTUDBPQFZCSBN-NOZJJQNGSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001046546019 678484853 /nfs/dbraw/zinc/48/48/53/678484853.db2.gz CBTUDBPQFZCSBN-NOZJJQNGSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001046545056 678484903 /nfs/dbraw/zinc/48/49/03/678484903.db2.gz XFGSWXHVRXGNGA-CYBMUJFWSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001046545056 678484907 /nfs/dbraw/zinc/48/49/07/678484907.db2.gz XFGSWXHVRXGNGA-CYBMUJFWSA-N 1 1 307.358 -1.363 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542667 678485079 /nfs/dbraw/zinc/48/50/79/678485079.db2.gz KVRVORZTGCIFCL-XHDPSFHLSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542667 678485083 /nfs/dbraw/zinc/48/50/83/678485083.db2.gz KVRVORZTGCIFCL-XHDPSFHLSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542666 678485104 /nfs/dbraw/zinc/48/51/04/678485104.db2.gz KVRVORZTGCIFCL-NHYWBVRUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542666 678485107 /nfs/dbraw/zinc/48/51/07/678485107.db2.gz KVRVORZTGCIFCL-NHYWBVRUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046541496 678485140 /nfs/dbraw/zinc/48/51/40/678485140.db2.gz FKVPYTDOLDRWHB-YGRLFVJLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046541496 678485141 /nfs/dbraw/zinc/48/51/41/678485141.db2.gz FKVPYTDOLDRWHB-YGRLFVJLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001046544237 678485177 /nfs/dbraw/zinc/48/51/77/678485177.db2.gz VIXDMHPXWRPWQE-BXUZGUMPSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001046548075 678485593 /nfs/dbraw/zinc/48/55/93/678485593.db2.gz MHEXENSHBFFPPC-CYBMUJFWSA-N 1 1 322.373 -1.571 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549255 678485611 /nfs/dbraw/zinc/48/56/11/678485611.db2.gz ZZLTXPGIEXJBMY-TVQRCGJNSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549255 678485613 /nfs/dbraw/zinc/48/56/13/678485613.db2.gz ZZLTXPGIEXJBMY-TVQRCGJNSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549126 678485721 /nfs/dbraw/zinc/48/57/21/678485721.db2.gz YDXQDNLSSJZABV-SDBXPKJASA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549126 678485723 /nfs/dbraw/zinc/48/57/23/678485723.db2.gz YDXQDNLSSJZABV-SDBXPKJASA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001046546022 678485746 /nfs/dbraw/zinc/48/57/46/678485746.db2.gz CBTUDBPQFZCSBN-ZANVPECISA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001046546022 678485749 /nfs/dbraw/zinc/48/57/49/678485749.db2.gz CBTUDBPQFZCSBN-ZANVPECISA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)CC2 ZINC001046575941 678486310 /nfs/dbraw/zinc/48/63/10/678486310.db2.gz YELPIHPNNSHGOW-ZUZCIYMTSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)CC2 ZINC001046575941 678486312 /nfs/dbraw/zinc/48/63/12/678486312.db2.gz YELPIHPNNSHGOW-ZUZCIYMTSA-N 1 1 320.397 -1.014 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046587936 678486759 /nfs/dbraw/zinc/48/67/59/678486759.db2.gz MFRMFMDXQXXHIW-IINYFYTJSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046587936 678486761 /nfs/dbraw/zinc/48/67/61/678486761.db2.gz MFRMFMDXQXXHIW-IINYFYTJSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046617296 678486940 /nfs/dbraw/zinc/48/69/40/678486940.db2.gz SODMYGBMQOPVSI-IMSIIYSGSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046617296 678486941 /nfs/dbraw/zinc/48/69/41/678486941.db2.gz SODMYGBMQOPVSI-IMSIIYSGSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046587942 678486953 /nfs/dbraw/zinc/48/69/53/678486953.db2.gz MFRMFMDXQXXHIW-YGRLFVJLSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046587942 678486956 /nfs/dbraw/zinc/48/69/56/678486956.db2.gz MFRMFMDXQXXHIW-YGRLFVJLSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046586038 678487101 /nfs/dbraw/zinc/48/71/01/678487101.db2.gz IULDTGIYNOLLFZ-YGRLFVJLSA-N 1 1 324.385 -1.726 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046626658 678487623 /nfs/dbraw/zinc/48/76/23/678487623.db2.gz CAHRQASURZTNMP-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046626658 678487627 /nfs/dbraw/zinc/48/76/27/678487627.db2.gz CAHRQASURZTNMP-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@H+](CC(N)=O)C1 ZINC001046638230 678487706 /nfs/dbraw/zinc/48/77/06/678487706.db2.gz VSFXFLJVYZQFKV-IINYFYTJSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046638230 678487709 /nfs/dbraw/zinc/48/77/09/678487709.db2.gz VSFXFLJVYZQFKV-IINYFYTJSA-N 1 1 321.385 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n(C)c1=O ZINC001046667928 678488173 /nfs/dbraw/zinc/48/81/73/678488173.db2.gz BCTDODWKEPJIAF-AWEZNQCLSA-N 1 1 323.353 -2.237 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n(C)c1=O ZINC001046667928 678488177 /nfs/dbraw/zinc/48/81/77/678488177.db2.gz BCTDODWKEPJIAF-AWEZNQCLSA-N 1 1 323.353 -2.237 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001046684385 678488315 /nfs/dbraw/zinc/48/83/15/678488315.db2.gz HGGFVWAHQBMMFF-ZYHUDNBSSA-N 1 1 321.381 -1.090 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n(C)c1=O ZINC001046667929 678488415 /nfs/dbraw/zinc/48/84/15/678488415.db2.gz BCTDODWKEPJIAF-CQSZACIVSA-N 1 1 323.353 -2.237 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n(C)c1=O ZINC001046667929 678488417 /nfs/dbraw/zinc/48/84/17/678488417.db2.gz BCTDODWKEPJIAF-CQSZACIVSA-N 1 1 323.353 -2.237 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2ncn[n-]2)C1 ZINC001046671769 678488427 /nfs/dbraw/zinc/48/84/27/678488427.db2.gz LTTRQMQTDKNCLZ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046671769 678488429 /nfs/dbraw/zinc/48/84/29/678488429.db2.gz LTTRQMQTDKNCLZ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046671769 678488431 /nfs/dbraw/zinc/48/84/31/678488431.db2.gz LTTRQMQTDKNCLZ-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001046684464 678488650 /nfs/dbraw/zinc/48/86/50/678488650.db2.gz IRIDVCRLYAZVEL-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046691752 678488883 /nfs/dbraw/zinc/48/88/83/678488883.db2.gz LSGNCAMLBVWIQX-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)S1(=O)=O ZINC001046689635 678488984 /nfs/dbraw/zinc/48/89/84/678488984.db2.gz MGKBBVNHZHEWNW-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046691753 678489023 /nfs/dbraw/zinc/48/90/23/678489023.db2.gz LSGNCAMLBVWIQX-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695909 678489057 /nfs/dbraw/zinc/48/90/57/678489057.db2.gz RRDGLKIIYJGAKJ-BJOHPYRUSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695909 678489058 /nfs/dbraw/zinc/48/90/58/678489058.db2.gz RRDGLKIIYJGAKJ-BJOHPYRUSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046691754 678489093 /nfs/dbraw/zinc/48/90/93/678489093.db2.gz LSGNCAMLBVWIQX-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO Cn1ncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703433 678489383 /nfs/dbraw/zinc/48/93/83/678489383.db2.gz SGSYAYYDWCTFQZ-YGRLFVJLSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703433 678489387 /nfs/dbraw/zinc/48/93/87/678489387.db2.gz SGSYAYYDWCTFQZ-YGRLFVJLSA-N 1 1 320.353 -1.186 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001046725839 678490574 /nfs/dbraw/zinc/49/05/74/678490574.db2.gz QNSSKZYUEGOLJK-AXFHLTTASA-N 1 1 324.381 -2.251 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001046803710 678491549 /nfs/dbraw/zinc/49/15/49/678491549.db2.gz GTRFACOJSFOQHE-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 ZINC001046803710 678491550 /nfs/dbraw/zinc/49/15/50/678491550.db2.gz GTRFACOJSFOQHE-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046844324 678492548 /nfs/dbraw/zinc/49/25/48/678492548.db2.gz NYOLPNFCTWDRCA-PWSUYJOCSA-N 1 1 305.400 -1.095 20 0 DAADMO Cn1nc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001046822682 678492595 /nfs/dbraw/zinc/49/25/95/678492595.db2.gz SNCQPSRGRUKEHZ-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001046822682 678492597 /nfs/dbraw/zinc/49/25/97/678492597.db2.gz SNCQPSRGRUKEHZ-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854300 678492762 /nfs/dbraw/zinc/49/27/62/678492762.db2.gz NCRDVUFHHWROPD-IINYFYTJSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046865785 678492975 /nfs/dbraw/zinc/49/29/75/678492975.db2.gz CWVLYOMTGCDHGQ-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO C[C@@]1(NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+](CCCO)C1 ZINC001046855245 678493267 /nfs/dbraw/zinc/49/32/67/678493267.db2.gz ZYMLWGTUERNLEM-CYBMUJFWSA-N 1 1 310.358 -1.660 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCc3nncn3C2)CC[N@H+](CC(N)=O)C1 ZINC001046855761 678493374 /nfs/dbraw/zinc/49/33/74/678493374.db2.gz WKCJKRMLXSXQFW-HZMBPMFUSA-N 1 1 306.370 -1.094 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCc3nncn3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046855761 678493377 /nfs/dbraw/zinc/49/33/77/678493377.db2.gz WKCJKRMLXSXQFW-HZMBPMFUSA-N 1 1 306.370 -1.094 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046904230 678496516 /nfs/dbraw/zinc/49/65/16/678496516.db2.gz CLXHWBMLXYFAHP-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904230 678496518 /nfs/dbraw/zinc/49/65/18/678496518.db2.gz CLXHWBMLXYFAHP-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904230 678496520 /nfs/dbraw/zinc/49/65/20/678496520.db2.gz CLXHWBMLXYFAHP-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001046997645 678498440 /nfs/dbraw/zinc/49/84/40/678498440.db2.gz BRKPJKLQSUPENY-XQQFMLRXSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)C1 ZINC001047059997 678498782 /nfs/dbraw/zinc/49/87/82/678498782.db2.gz GUVFOEMSHNKHGP-DRZSPHRISA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc1=O ZINC001047088146 678498852 /nfs/dbraw/zinc/49/88/52/678498852.db2.gz UKWJNWLHKYYSCK-AXFHLTTASA-N 1 1 319.365 -1.152 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)C1 ZINC001047059998 678498912 /nfs/dbraw/zinc/49/89/12/678498912.db2.gz GUVFOEMSHNKHGP-UHTWSYAYSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)c1=O ZINC001047096884 678499291 /nfs/dbraw/zinc/49/92/91/678499291.db2.gz HELSJIXTPPXLTR-DCAQKATOSA-N 1 1 322.369 -1.964 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047105136 678499443 /nfs/dbraw/zinc/49/94/43/678499443.db2.gz HVTCAQCYAVKYEQ-TUAOUCFPSA-N 1 1 322.365 -1.090 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047120952 678499516 /nfs/dbraw/zinc/49/95/16/678499516.db2.gz BSNSCXCWVBFNHX-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)c1=O ZINC001047096612 678499525 /nfs/dbraw/zinc/49/95/25/678499525.db2.gz CUAAWSSLZBMZDV-AVGNSLFASA-N 1 1 323.397 -1.067 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccnnc3)C2)C1 ZINC001047131641 678499779 /nfs/dbraw/zinc/49/97/79/678499779.db2.gz VOPIIUSAWWWFNV-LBPRGKRZSA-N 1 1 319.365 -1.269 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001047138030 678500585 /nfs/dbraw/zinc/50/05/85/678500585.db2.gz RDMNJZKCIMRBEB-AEJSXWLSSA-N 1 1 323.353 -2.007 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047162710 678500783 /nfs/dbraw/zinc/50/07/83/678500783.db2.gz SGRYYNXEIUKKOZ-AXFHLTTASA-N 1 1 310.354 -1.500 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)C1=O ZINC001047182437 678501678 /nfs/dbraw/zinc/50/16/78/678501678.db2.gz YWCRIXRLFDHRLT-TUAOUCFPSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047179941 678502022 /nfs/dbraw/zinc/50/20/22/678502022.db2.gz IGTSEMDYXKWLIY-TUAOUCFPSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001047271161 678502322 /nfs/dbraw/zinc/50/23/22/678502322.db2.gz DEXSLYFUSJSBBY-AGIUHOORSA-N 1 1 319.427 -1.209 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047269498 678502347 /nfs/dbraw/zinc/50/23/47/678502347.db2.gz IKLHZCHWUSWTJM-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001047268749 678502394 /nfs/dbraw/zinc/50/23/94/678502394.db2.gz UKLFSTJJEQPHJL-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001047271973 678502641 /nfs/dbraw/zinc/50/26/41/678502641.db2.gz WMAYEIIAVUTPLX-WOPDTQHZSA-N 1 1 313.354 -1.980 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296044 678503533 /nfs/dbraw/zinc/50/35/33/678503533.db2.gz UYXUQQXAKSOKCL-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1)OC ZINC001047295069 678503556 /nfs/dbraw/zinc/50/35/56/678503556.db2.gz FXEIBIKTCZXYIJ-SRVKXCTJSA-N 1 1 312.374 -1.398 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047295457 678503895 /nfs/dbraw/zinc/50/38/95/678503895.db2.gz LZNHJYHVVTVNHU-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047295457 678503897 /nfs/dbraw/zinc/50/38/97/678503897.db2.gz LZNHJYHVVTVNHU-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047302007 678504837 /nfs/dbraw/zinc/50/48/37/678504837.db2.gz BTONKADSMDLWNN-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047302007 678504841 /nfs/dbraw/zinc/50/48/41/678504841.db2.gz BTONKADSMDLWNN-STQMWFEESA-N 1 1 319.369 -1.322 20 0 DAADMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047311719 678505252 /nfs/dbraw/zinc/50/52/52/678505252.db2.gz BHONAVYGLBXPTD-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047311719 678505255 /nfs/dbraw/zinc/50/52/55/678505255.db2.gz BHONAVYGLBXPTD-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047309437 678505391 /nfs/dbraw/zinc/50/53/91/678505391.db2.gz DDSGVUSDQGGRCV-SRVKXCTJSA-N 1 1 307.354 -1.195 20 0 DAADMO CN(C(=O)c1cnsn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047314485 678506213 /nfs/dbraw/zinc/50/62/13/678506213.db2.gz SSXCDYMAGOGSOW-QWRGUYRKSA-N 1 1 323.382 -1.053 20 0 DAADMO CN(C(=O)c1cnsn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047314485 678506216 /nfs/dbraw/zinc/50/62/16/678506216.db2.gz SSXCDYMAGOGSOW-QWRGUYRKSA-N 1 1 323.382 -1.053 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001047316395 678506322 /nfs/dbraw/zinc/50/63/22/678506322.db2.gz UQYXOSINGLUHCP-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001047316395 678506324 /nfs/dbraw/zinc/50/63/24/678506324.db2.gz UQYXOSINGLUHCP-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)c1ccon1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047317280 678506702 /nfs/dbraw/zinc/50/67/02/678506702.db2.gz OWBOXPDEIPPOTD-RYUDHWBXSA-N 1 1 323.353 -1.183 20 0 DAADMO CN(C(=O)c1ccon1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047317280 678506704 /nfs/dbraw/zinc/50/67/04/678506704.db2.gz OWBOXPDEIPPOTD-RYUDHWBXSA-N 1 1 323.353 -1.183 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001047321619 678506924 /nfs/dbraw/zinc/50/69/24/678506924.db2.gz GXCCDFLYYGUCSB-SRVKXCTJSA-N 1 1 323.401 -1.692 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001047320629 678507013 /nfs/dbraw/zinc/50/70/13/678507013.db2.gz RZTPRHPRYVHZCZ-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001047320629 678507015 /nfs/dbraw/zinc/50/70/15/678507015.db2.gz RZTPRHPRYVHZCZ-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001047324085 678507346 /nfs/dbraw/zinc/50/73/46/678507346.db2.gz HWPLPAJARXZZNU-RDBSUJKOSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047325328 678507372 /nfs/dbraw/zinc/50/73/72/678507372.db2.gz APRQYZPEIQJXLW-RNJOBUHISA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047325415 678507416 /nfs/dbraw/zinc/50/74/16/678507416.db2.gz CCDIWHBAVBLVBL-RHYQMDGZSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047325415 678507421 /nfs/dbraw/zinc/50/74/21/678507421.db2.gz CCDIWHBAVBLVBL-RHYQMDGZSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047323604 678507558 /nfs/dbraw/zinc/50/75/58/678507558.db2.gz ZKRAYJKZNLXKLA-RDBSUJKOSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001047323978 678507618 /nfs/dbraw/zinc/50/76/18/678507618.db2.gz DVTLEEHEEYSXEP-RDBSUJKOSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001047324499 678507832 /nfs/dbraw/zinc/50/78/32/678507832.db2.gz RBTHBAPYAVXTGZ-IHRRRGAJSA-N 1 1 322.413 -1.087 20 0 DAADMO C[C@H](C(=O)N(C)C)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001047333096 678508070 /nfs/dbraw/zinc/50/80/70/678508070.db2.gz OPUVNQXRHFCETP-WXHSDQCUSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333096 678508074 /nfs/dbraw/zinc/50/80/74/678508074.db2.gz OPUVNQXRHFCETP-WXHSDQCUSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333096 678508080 /nfs/dbraw/zinc/50/80/80/678508080.db2.gz OPUVNQXRHFCETP-WXHSDQCUSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001047333095 678508550 /nfs/dbraw/zinc/50/85/50/678508550.db2.gz OPUVNQXRHFCETP-DRZSPHRISA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333095 678508552 /nfs/dbraw/zinc/50/85/52/678508552.db2.gz OPUVNQXRHFCETP-DRZSPHRISA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333095 678508556 /nfs/dbraw/zinc/50/85/56/678508556.db2.gz OPUVNQXRHFCETP-DRZSPHRISA-N 1 1 323.397 -1.068 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047332394 678508609 /nfs/dbraw/zinc/50/86/09/678508609.db2.gz TXOYRVVGUOORIA-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047332394 678508613 /nfs/dbraw/zinc/50/86/13/678508613.db2.gz TXOYRVVGUOORIA-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047332394 678508615 /nfs/dbraw/zinc/50/86/15/678508615.db2.gz TXOYRVVGUOORIA-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047332208 678508725 /nfs/dbraw/zinc/50/87/25/678508725.db2.gz RRCSMJROJYWDEG-STQMWFEESA-N 1 1 321.381 -1.312 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047333603 678509652 /nfs/dbraw/zinc/50/96/52/678509652.db2.gz LKXYYOSOGSBYJA-GARJFASQSA-N 1 1 300.359 -2.694 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047333603 678509655 /nfs/dbraw/zinc/50/96/55/678509655.db2.gz LKXYYOSOGSBYJA-GARJFASQSA-N 1 1 300.359 -2.694 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001047356246 678510260 /nfs/dbraw/zinc/51/02/60/678510260.db2.gz WNOJETDPKQOPRM-XQQFMLRXSA-N 1 1 301.387 -1.533 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047353611 678510311 /nfs/dbraw/zinc/51/03/11/678510311.db2.gz HYXPZWCXBUQGNF-RDBSUJKOSA-N 1 1 315.414 -1.143 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047358349 678510930 /nfs/dbraw/zinc/51/09/30/678510930.db2.gz YBFGWYPAWXKDCY-VWYCJHECSA-N 1 1 313.358 -1.478 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047382231 678514069 /nfs/dbraw/zinc/51/40/69/678514069.db2.gz YQFOXBXSWXPUSG-STQMWFEESA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047381619 678514082 /nfs/dbraw/zinc/51/40/82/678514082.db2.gz ONUDQUWAJVTMEC-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047381616 678514594 /nfs/dbraw/zinc/51/45/94/678514594.db2.gz ONUDQUWAJVTMEC-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386057 678514989 /nfs/dbraw/zinc/51/49/89/678514989.db2.gz LINJEDAFDGWNHD-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047393997 678515217 /nfs/dbraw/zinc/51/52/17/678515217.db2.gz GFYAUIVFRUGKPU-RYUDHWBXSA-N 1 1 302.396 -1.056 20 0 DAADMO CN(C(=O)C1CS(=O)(=O)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047393997 678515221 /nfs/dbraw/zinc/51/52/21/678515221.db2.gz GFYAUIVFRUGKPU-RYUDHWBXSA-N 1 1 302.396 -1.056 20 0 DAADMO CN(C(=O)C1(C)CC1)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047389836 678515278 /nfs/dbraw/zinc/51/52/78/678515278.db2.gz PMMADAMNFWSIPK-QWRGUYRKSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)C1(C)CC1)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047389836 678515280 /nfs/dbraw/zinc/51/52/80/678515280.db2.gz PMMADAMNFWSIPK-QWRGUYRKSA-N 1 1 324.381 -1.158 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC001047385992 678515319 /nfs/dbraw/zinc/51/53/19/678515319.db2.gz HWJVCHDLZYFRSQ-RNJOBUHISA-N 1 1 312.414 -1.295 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001047401570 678515609 /nfs/dbraw/zinc/51/56/09/678515609.db2.gz XRSRXLFHEHRKBQ-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1=O ZINC001047401070 678515670 /nfs/dbraw/zinc/51/56/70/678515670.db2.gz BRRRECVPSNWBTI-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001047401369 678515725 /nfs/dbraw/zinc/51/57/25/678515725.db2.gz NOXNDSSVMRNASW-QWRGUYRKSA-N 1 1 310.354 -1.930 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001047401466 678515994 /nfs/dbraw/zinc/51/59/94/678515994.db2.gz RUQKESPHJPGDDQ-RYUDHWBXSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001047409633 678516266 /nfs/dbraw/zinc/51/62/66/678516266.db2.gz QKOXTUPYRRFOMZ-ZHAHWJHGSA-N 1 1 320.353 -1.149 20 0 DAADMO COc1nc(C)ncc1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047402059 678516295 /nfs/dbraw/zinc/51/62/95/678516295.db2.gz LHAAXTOGAOZEND-RYUDHWBXSA-N 1 1 310.354 -1.097 20 0 DAADMO COc1nc(C)ncc1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047402059 678516298 /nfs/dbraw/zinc/51/62/98/678516298.db2.gz LHAAXTOGAOZEND-RYUDHWBXSA-N 1 1 310.354 -1.097 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047409219 678516497 /nfs/dbraw/zinc/51/64/97/678516497.db2.gz HDHVAQOLYMBELI-QWRGUYRKSA-N 1 1 301.343 -2.659 20 0 DAADMO CN(C(=O)c1cnc2n1CCOC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047415494 678516867 /nfs/dbraw/zinc/51/68/67/678516867.db2.gz CEEXWKOOAZDVTB-RYUDHWBXSA-N 1 1 310.354 -1.477 20 0 DAADMO CN(C(=O)c1cnc2n1CCOC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047415494 678516870 /nfs/dbraw/zinc/51/68/70/678516870.db2.gz CEEXWKOOAZDVTB-RYUDHWBXSA-N 1 1 310.354 -1.477 20 0 DAADMO CN(C(=O)c1cnc2n1CCOC2)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047415944 678517046 /nfs/dbraw/zinc/51/70/46/678517046.db2.gz QATJZOKBGYKYHN-STQMWFEESA-N 1 1 324.381 -1.087 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047415433 678517184 /nfs/dbraw/zinc/51/71/84/678517184.db2.gz XRWQFAYGURYGLN-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047414131 678517204 /nfs/dbraw/zinc/51/72/04/678517204.db2.gz YYHMNKKEKYQZBG-RYUDHWBXSA-N 1 1 310.354 -1.456 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001047419257 678517987 /nfs/dbraw/zinc/51/79/87/678517987.db2.gz VTDALGURHDZWHB-VWYCJHECSA-N 1 1 323.353 -1.437 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001047419257 678517990 /nfs/dbraw/zinc/51/79/90/678517990.db2.gz VTDALGURHDZWHB-VWYCJHECSA-N 1 1 323.353 -1.437 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001047432350 678518303 /nfs/dbraw/zinc/51/83/03/678518303.db2.gz LZIYQNAAKNJZGI-DRZSPHRISA-N 1 1 309.366 -1.117 20 0 DAADMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001047425087 678518333 /nfs/dbraw/zinc/51/83/33/678518333.db2.gz FTWPIWMGWCMWEN-QWRGUYRKSA-N 1 1 310.354 -1.504 20 0 DAADMO CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047432813 678518506 /nfs/dbraw/zinc/51/85/06/678518506.db2.gz JHGZILTVTGTZPY-KBPBESRZSA-N 1 1 324.425 -1.326 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3c(n2)COCC3)C1 ZINC001047427825 678518557 /nfs/dbraw/zinc/51/85/57/678518557.db2.gz KECDAIXRLHKLQN-WXHSDQCUSA-N 1 1 324.381 -1.089 20 0 DAADMO Cc1cnc2nc(C(=O)N(C)[C@H]3C[N@H+](CCO)C[C@@H]3O)nn2c1 ZINC001047424118 678518641 /nfs/dbraw/zinc/51/86/41/678518641.db2.gz ZNWIVEKEMBEBRF-QWRGUYRKSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1cnc2nc(C(=O)N(C)[C@H]3C[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC001047424118 678518643 /nfs/dbraw/zinc/51/86/43/678518643.db2.gz ZNWIVEKEMBEBRF-QWRGUYRKSA-N 1 1 320.353 -1.458 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433991 678518929 /nfs/dbraw/zinc/51/89/29/678518929.db2.gz PFTPSXFCMDMCFN-DCAQKATOSA-N 1 1 313.358 -2.534 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047433663 678519205 /nfs/dbraw/zinc/51/92/05/678519205.db2.gz GJNXHOBLJKIPLS-RYUDHWBXSA-N 1 1 309.370 -1.505 20 0 DAADMO CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047433822 678519301 /nfs/dbraw/zinc/51/93/01/678519301.db2.gz LKIAGFFWILFWLH-QWRGUYRKSA-N 1 1 321.337 -1.227 20 0 DAADMO CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047433822 678519303 /nfs/dbraw/zinc/51/93/03/678519303.db2.gz LKIAGFFWILFWLH-QWRGUYRKSA-N 1 1 321.337 -1.227 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047434221 678519325 /nfs/dbraw/zinc/51/93/25/678519325.db2.gz RHKNNSKNUQGFII-STQMWFEESA-N 1 1 323.397 -1.115 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047434322 678519351 /nfs/dbraw/zinc/51/93/51/678519351.db2.gz TWFWNDQIGPYGLY-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001047443803 678520954 /nfs/dbraw/zinc/52/09/54/678520954.db2.gz MSXKTVRTZPHLRK-XDTLVQLUSA-N 1 1 324.381 -1.378 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001047443365 678521060 /nfs/dbraw/zinc/52/10/60/678521060.db2.gz TVJQDUWNKXLJCZ-RYUDHWBXSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C(=O)c1ccnc2n[nH]nc21)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047452302 678521251 /nfs/dbraw/zinc/52/12/51/678521251.db2.gz HYCFULSNEOFCOX-QWRGUYRKSA-N 1 1 320.353 -1.148 20 0 DAADMO COc1nccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001047453066 678521302 /nfs/dbraw/zinc/52/13/02/678521302.db2.gz MIWQLZCAYWNORV-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)o1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047451385 678521308 /nfs/dbraw/zinc/52/13/08/678521308.db2.gz DWRJOKDQCUIXSP-UWVGGRQHSA-N 1 1 311.338 -1.122 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1C ZINC001047452239 678521409 /nfs/dbraw/zinc/52/14/09/678521409.db2.gz FACDODMGRNKXJE-RYUDHWBXSA-N 1 1 312.370 -1.072 20 0 DAADMO CN(C(=O)Cn1ncc2cccnc21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047459865 678521939 /nfs/dbraw/zinc/52/19/39/678521939.db2.gz GKOIDENGXMMOSQ-STQMWFEESA-N 1 1 319.365 -1.073 20 0 DAADMO COCCn1ccc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001047453442 678522056 /nfs/dbraw/zinc/52/20/56/678522056.db2.gz YIYJUVDOEKCYAW-STQMWFEESA-N 1 1 312.370 -1.361 20 0 DAADMO COCCn1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001047453442 678522057 /nfs/dbraw/zinc/52/20/57/678522057.db2.gz YIYJUVDOEKCYAW-STQMWFEESA-N 1 1 312.370 -1.361 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047462395 678522221 /nfs/dbraw/zinc/52/22/21/678522221.db2.gz CVURJIMMCAGAHA-RYUDHWBXSA-N 1 1 310.354 -1.720 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047462403 678522232 /nfs/dbraw/zinc/52/22/32/678522232.db2.gz DOZNWCZBDLJQFZ-RYUDHWBXSA-N 1 1 310.354 -1.456 20 0 DAADMO COc1coc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001047458662 678522460 /nfs/dbraw/zinc/52/24/60/678522460.db2.gz YWEDPMGDAGOGEV-ONGXEEELSA-N 1 1 312.322 -1.242 20 0 DAADMO COc1coc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001047458662 678522461 /nfs/dbraw/zinc/52/24/61/678522461.db2.gz YWEDPMGDAGOGEV-ONGXEEELSA-N 1 1 312.322 -1.242 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(N)=O)c2)C1 ZINC001047470786 678522946 /nfs/dbraw/zinc/52/29/46/678522946.db2.gz DNJZHUKDEAHDIS-MIMYLULJSA-N 1 1 311.338 -1.124 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047483916 678523769 /nfs/dbraw/zinc/52/37/69/678523769.db2.gz NAFQLTDXWOBKHY-AGIUHOORSA-N 1 1 321.381 -1.477 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047483194 678523856 /nfs/dbraw/zinc/52/38/56/678523856.db2.gz ASVJERHIBBHPON-STQMWFEESA-N 1 1 310.398 -1.668 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047486372 678524338 /nfs/dbraw/zinc/52/43/38/678524338.db2.gz KCRBSWGOPQGFDD-MQYQWHSLSA-N 1 1 324.425 -1.185 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047490066 678524638 /nfs/dbraw/zinc/52/46/38/678524638.db2.gz HQZIOUHISJLCJF-SRVKXCTJSA-N 1 1 324.385 -1.246 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047490400 678524734 /nfs/dbraw/zinc/52/47/34/678524734.db2.gz UKDHYEKUOALVLQ-WOPDTQHZSA-N 1 1 324.385 -1.104 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1)OC ZINC001047490391 678524794 /nfs/dbraw/zinc/52/47/94/678524794.db2.gz UDSBNMWEKZSIFK-DCAQKATOSA-N 1 1 312.374 -1.248 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001047489605 678524843 /nfs/dbraw/zinc/52/48/43/678524843.db2.gz WHBMJWQNIPJNMZ-RYUDHWBXSA-N 1 1 324.385 -1.104 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047489605 678524848 /nfs/dbraw/zinc/52/48/48/678524848.db2.gz WHBMJWQNIPJNMZ-RYUDHWBXSA-N 1 1 324.385 -1.104 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047487163 678524886 /nfs/dbraw/zinc/52/48/86/678524886.db2.gz UCHQCROHXUPANE-WOPDTQHZSA-N 1 1 322.369 -2.082 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047487163 678524890 /nfs/dbraw/zinc/52/48/90/678524890.db2.gz UCHQCROHXUPANE-WOPDTQHZSA-N 1 1 322.369 -2.082 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047490468 678524897 /nfs/dbraw/zinc/52/48/97/678524897.db2.gz WPRFUOLAOMZWHO-QWRGUYRKSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047490468 678524900 /nfs/dbraw/zinc/52/49/00/678524900.db2.gz WPRFUOLAOMZWHO-QWRGUYRKSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)[C@@]1(C)CCC(=O)NC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047498034 678525321 /nfs/dbraw/zinc/52/53/21/678525321.db2.gz BVZBYCLJFBTEEU-HUBLWGQQSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047500313 678526079 /nfs/dbraw/zinc/52/60/79/678526079.db2.gz AEFOCDKZLYHZJO-SWHYSGLUSA-N 1 1 323.397 -1.584 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047507291 678526526 /nfs/dbraw/zinc/52/65/26/678526526.db2.gz RZCPMWMXFVAWTQ-QWRGUYRKSA-N 1 1 308.338 -2.126 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047507291 678526528 /nfs/dbraw/zinc/52/65/28/678526528.db2.gz RZCPMWMXFVAWTQ-QWRGUYRKSA-N 1 1 308.338 -2.126 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047506969 678526545 /nfs/dbraw/zinc/52/65/45/678526545.db2.gz HNRFLYYLAVWDTC-AVGNSLFASA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047506969 678526551 /nfs/dbraw/zinc/52/65/51/678526551.db2.gz HNRFLYYLAVWDTC-AVGNSLFASA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001047510673 678527243 /nfs/dbraw/zinc/52/72/43/678527243.db2.gz ABDDKVQYAROWDK-QWRGUYRKSA-N 1 1 312.370 -2.012 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)co2)C1 ZINC001047525146 678528023 /nfs/dbraw/zinc/52/80/23/678528023.db2.gz PMOKPWWBXRNFHZ-LSJOCFKGSA-N 1 1 311.338 -1.124 20 0 DAADMO CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047537184 678528264 /nfs/dbraw/zinc/52/82/64/678528264.db2.gz XGBNATHEGLKXRZ-SRVKXCTJSA-N 1 1 324.385 -1.879 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047529395 678528320 /nfs/dbraw/zinc/52/83/20/678528320.db2.gz BAUVJPCOGLJRNE-RHYQMDGZSA-N 1 1 322.369 -2.097 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047529395 678528321 /nfs/dbraw/zinc/52/83/21/678528321.db2.gz BAUVJPCOGLJRNE-RHYQMDGZSA-N 1 1 322.369 -2.097 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047528675 678528351 /nfs/dbraw/zinc/52/83/51/678528351.db2.gz XJEUCJPWULQWTP-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001047529384 678528384 /nfs/dbraw/zinc/52/83/84/678528384.db2.gz AVIBPHYDPFFKRQ-UWJYBYFXSA-N 1 1 310.354 -1.389 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047529727 678528414 /nfs/dbraw/zinc/52/84/14/678528414.db2.gz IRIFCWLHMGJAPL-VOAKCMCISA-N 1 1 313.398 -1.403 20 0 DAADMO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001047536270 678528485 /nfs/dbraw/zinc/52/84/85/678528485.db2.gz WDQYHFKURSQMSP-STQMWFEESA-N 1 1 322.365 -1.402 20 0 DAADMO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001047536270 678528489 /nfs/dbraw/zinc/52/84/89/678528489.db2.gz WDQYHFKURSQMSP-STQMWFEESA-N 1 1 322.365 -1.402 20 0 DAADMO CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047545873 678528969 /nfs/dbraw/zinc/52/89/69/678528969.db2.gz ZADUKHPBUFAAFJ-STQMWFEESA-N 1 1 319.369 -1.253 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544925 678529082 /nfs/dbraw/zinc/52/90/82/678529082.db2.gz LDSQRDLZLKWSFB-WXHSDQCUSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544925 678529085 /nfs/dbraw/zinc/52/90/85/678529085.db2.gz LDSQRDLZLKWSFB-WXHSDQCUSA-N 1 1 323.397 -1.068 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047548511 678529280 /nfs/dbraw/zinc/52/92/80/678529280.db2.gz DWVZUJLLCJWDSY-CIUDSAMLSA-N 1 1 300.315 -2.920 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047549191 678529312 /nfs/dbraw/zinc/52/93/12/678529312.db2.gz TTZNYDRCJJFGKP-RYUDHWBXSA-N 1 1 323.397 -1.005 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001047550953 678529634 /nfs/dbraw/zinc/52/96/34/678529634.db2.gz LBNCKNZIUULKEZ-IUCAKERBSA-N 1 1 312.326 -2.070 20 0 DAADMO CC1CCN(C(=O)C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001047554390 678529844 /nfs/dbraw/zinc/52/98/44/678529844.db2.gz FGTYODUHOJSBAY-STQMWFEESA-N 1 1 313.398 -1.259 20 0 DAADMO CC1CCN(C(=O)C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001047554390 678529846 /nfs/dbraw/zinc/52/98/46/678529846.db2.gz FGTYODUHOJSBAY-STQMWFEESA-N 1 1 313.398 -1.259 20 0 DAADMO COc1cncc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001047550946 678529923 /nfs/dbraw/zinc/52/99/23/678529923.db2.gz KMQXHHHFDDJYNW-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047549259 678529944 /nfs/dbraw/zinc/52/99/44/678529944.db2.gz PZQAHSNQGVPEHD-SRVKXCTJSA-N 1 1 324.381 -1.112 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001047550025 678529971 /nfs/dbraw/zinc/52/99/71/678529971.db2.gz KRZCNQOMBASSNN-RYUDHWBXSA-N 1 1 324.381 -1.391 20 0 DAADMO CN(C(=O)c1ccc2nncn2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047563144 678530416 /nfs/dbraw/zinc/53/04/16/678530416.db2.gz CUDDDYGIXPJCFD-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047562971 678530464 /nfs/dbraw/zinc/53/04/64/678530464.db2.gz ATCVODUZKAMEKU-QWRGUYRKSA-N 1 1 321.337 -1.456 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047561299 678530590 /nfs/dbraw/zinc/53/05/90/678530590.db2.gz BIGIEBPLJUVTGI-GARJFASQSA-N 1 1 321.399 -2.484 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047561299 678530592 /nfs/dbraw/zinc/53/05/92/678530592.db2.gz BIGIEBPLJUVTGI-GARJFASQSA-N 1 1 321.399 -2.484 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047563724 678530740 /nfs/dbraw/zinc/53/07/40/678530740.db2.gz SUOHILDJDKMCLI-MIMYLULJSA-N 1 1 313.354 -2.077 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047562951 678530757 /nfs/dbraw/zinc/53/07/57/678530757.db2.gz AOZAMCKDRCXBPM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047562951 678530759 /nfs/dbraw/zinc/53/07/59/678530759.db2.gz AOZAMCKDRCXBPM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047569729 678530968 /nfs/dbraw/zinc/53/09/68/678530968.db2.gz CWYFZBZHGGZORW-UWVGGRQHSA-N 1 1 306.330 -1.787 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047569729 678530970 /nfs/dbraw/zinc/53/09/70/678530970.db2.gz CWYFZBZHGGZORW-UWVGGRQHSA-N 1 1 306.330 -1.787 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567279 678530995 /nfs/dbraw/zinc/53/09/95/678530995.db2.gz AURVGXYAKKNRQG-UTLUCORTSA-N 1 1 314.342 -2.578 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567278 678531049 /nfs/dbraw/zinc/53/10/49/678531049.db2.gz AURVGXYAKKNRQG-GUBZILKMSA-N 1 1 314.342 -2.578 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047567708 678531280 /nfs/dbraw/zinc/53/12/80/678531280.db2.gz UEFZVLFEMCSCFK-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CCn1nc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)ccc1=O ZINC001047570010 678531588 /nfs/dbraw/zinc/53/15/88/678531588.db2.gz QIZJAXQRZXOYKZ-DRZSPHRISA-N 1 1 324.381 -1.239 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047573695 678532084 /nfs/dbraw/zinc/53/20/84/678532084.db2.gz NLGRCJCGDNODHW-RYUDHWBXSA-N 1 1 323.353 -1.191 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047573695 678532087 /nfs/dbraw/zinc/53/20/87/678532087.db2.gz NLGRCJCGDNODHW-RYUDHWBXSA-N 1 1 323.353 -1.191 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047576500 678532366 /nfs/dbraw/zinc/53/23/66/678532366.db2.gz MINXVKQIVXPQCM-RYUDHWBXSA-N 1 1 310.354 -1.387 20 0 DAADMO CN(C(=O)c1cn(CC2CC2)nn1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047581088 678532901 /nfs/dbraw/zinc/53/29/01/678532901.db2.gz IXYAXKDQWYVSFN-STQMWFEESA-N 1 1 309.370 -1.203 20 0 DAADMO CN(C(=O)c1cn(CC2CC2)nn1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047581088 678532905 /nfs/dbraw/zinc/53/29/05/678532905.db2.gz IXYAXKDQWYVSFN-STQMWFEESA-N 1 1 309.370 -1.203 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047578664 678533126 /nfs/dbraw/zinc/53/31/26/678533126.db2.gz GXZZGBLWFMWAKI-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047578664 678533128 /nfs/dbraw/zinc/53/31/28/678533128.db2.gz GXZZGBLWFMWAKI-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578468 678533179 /nfs/dbraw/zinc/53/31/79/678533179.db2.gz CLYIISSTNONFHX-DCAQKATOSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578468 678533181 /nfs/dbraw/zinc/53/31/81/678533181.db2.gz CLYIISSTNONFHX-DCAQKATOSA-N 1 1 309.370 -1.280 20 0 DAADMO COc1ncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cn1 ZINC001047585860 678533212 /nfs/dbraw/zinc/53/32/12/678533212.db2.gz UYHVOPWOAONKPQ-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047589590 678533497 /nfs/dbraw/zinc/53/34/97/678533497.db2.gz LYPLDXXXJIUPJZ-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047589590 678533499 /nfs/dbraw/zinc/53/34/99/678533499.db2.gz LYPLDXXXJIUPJZ-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO COc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)nn1 ZINC001047587487 678533969 /nfs/dbraw/zinc/53/39/69/678533969.db2.gz FWHVRRZPFJRICW-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047589060 678533990 /nfs/dbraw/zinc/53/39/90/678533990.db2.gz ZYUSRDUZOYDYPY-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047592921 678534223 /nfs/dbraw/zinc/53/42/23/678534223.db2.gz LQKOBQWPOAEOAF-VWYCJHECSA-N 1 1 324.385 -1.673 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047592921 678534224 /nfs/dbraw/zinc/53/42/24/678534224.db2.gz LQKOBQWPOAEOAF-VWYCJHECSA-N 1 1 324.385 -1.673 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001047593850 678534412 /nfs/dbraw/zinc/53/44/12/678534412.db2.gz YWGUKALGAWBFAY-UWVGGRQHSA-N 1 1 306.326 -1.445 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001047593397 678534468 /nfs/dbraw/zinc/53/44/68/678534468.db2.gz HNODIDFGLBPBNC-QWRGUYRKSA-N 1 1 320.353 -1.055 20 0 DAADMO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047593318 678534488 /nfs/dbraw/zinc/53/44/88/678534488.db2.gz FRPNZHDVPJZPCO-UWVGGRQHSA-N 1 1 322.325 -2.473 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047595415 678534538 /nfs/dbraw/zinc/53/45/38/678534538.db2.gz CNFGAMQKWIFEOY-AGIUHOORSA-N 1 1 312.414 -1.422 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047598583 678534716 /nfs/dbraw/zinc/53/47/16/678534716.db2.gz PTAMPNSJMMKJMB-UWVGGRQHSA-N 1 1 311.338 -1.095 20 0 DAADMO Cc1nc2nccc(C(=O)N(C)[C@H]3C[N@H+](CCO)C[C@@H]3O)n2n1 ZINC001047597530 678534724 /nfs/dbraw/zinc/53/47/24/678534724.db2.gz SIIJTXGOFUVISW-RYUDHWBXSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1nc2nccc(C(=O)N(C)[C@H]3C[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC001047597530 678534727 /nfs/dbraw/zinc/53/47/27/678534727.db2.gz SIIJTXGOFUVISW-RYUDHWBXSA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047593622 678534780 /nfs/dbraw/zinc/53/47/80/678534780.db2.gz PJSOLOCUKRMMGY-SWHYSGLUSA-N 1 1 323.397 -1.205 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047602941 678535469 /nfs/dbraw/zinc/53/54/69/678535469.db2.gz CCDIWHBAVBLVBL-BJDJZHNGSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047602941 678535471 /nfs/dbraw/zinc/53/54/71/678535471.db2.gz CCDIWHBAVBLVBL-BJDJZHNGSA-N 1 1 324.381 -1.953 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047602212 678535601 /nfs/dbraw/zinc/53/56/01/678535601.db2.gz APRQYZPEIQJXLW-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620312 678536640 /nfs/dbraw/zinc/53/66/40/678536640.db2.gz MSTMAEHZJYISLL-DCAQKATOSA-N 1 1 310.358 -1.955 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620312 678536643 /nfs/dbraw/zinc/53/66/43/678536643.db2.gz MSTMAEHZJYISLL-DCAQKATOSA-N 1 1 310.358 -1.955 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047618156 678537085 /nfs/dbraw/zinc/53/70/85/678537085.db2.gz RMAOWBZVWDRASC-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO Cc1nc(C)c(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]1 ZINC001047623958 678537663 /nfs/dbraw/zinc/53/76/63/678537663.db2.gz YNUCGWBKMCGDDJ-STQMWFEESA-N 1 1 324.381 -1.163 20 0 DAADMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047625524 678537689 /nfs/dbraw/zinc/53/76/89/678537689.db2.gz GXYNHCUWHXGNKK-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047625524 678537692 /nfs/dbraw/zinc/53/76/92/678537692.db2.gz GXYNHCUWHXGNKK-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)Cn1ccccc1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047624558 678537697 /nfs/dbraw/zinc/53/76/97/678537697.db2.gz RGJBLMBHUPZGAV-STQMWFEESA-N 1 1 309.366 -1.266 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001047622647 678537878 /nfs/dbraw/zinc/53/78/78/678537878.db2.gz KGPKVADIQWLORI-QWRGUYRKSA-N 1 1 313.354 -1.715 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047632743 678538268 /nfs/dbraw/zinc/53/82/68/678538268.db2.gz IOAWOCOOOZXICV-XQQFMLRXSA-N 1 1 315.370 -2.271 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)C1 ZINC001047633876 678538547 /nfs/dbraw/zinc/53/85/47/678538547.db2.gz PWCQJACTHQGTLB-IHRRRGAJSA-N 1 1 315.414 -1.143 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001047637460 678539199 /nfs/dbraw/zinc/53/91/99/678539199.db2.gz YFEBHJCXNMATTJ-AGIUHOORSA-N 1 1 323.397 -1.355 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001047643616 678539245 /nfs/dbraw/zinc/53/92/45/678539245.db2.gz QMUUFBVERPZBSB-XDTLVQLUSA-N 1 1 322.365 -1.322 20 0 DAADMO CN(C(=O)c1cccc(C(N)=O)n1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047643834 678539283 /nfs/dbraw/zinc/53/92/83/678539283.db2.gz VPWPWULLZSQHII-STQMWFEESA-N 1 1 322.365 -1.320 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001047638915 678539429 /nfs/dbraw/zinc/53/94/29/678539429.db2.gz FBZRYJVUFWBWER-RYUDHWBXSA-N 1 1 324.385 -1.319 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)cs1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047639788 678539472 /nfs/dbraw/zinc/53/94/72/678539472.db2.gz QTESOAKCFUATAW-UWVGGRQHSA-N 1 1 313.379 -1.044 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)cs1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047639788 678539474 /nfs/dbraw/zinc/53/94/74/678539474.db2.gz QTESOAKCFUATAW-UWVGGRQHSA-N 1 1 313.379 -1.044 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001047645390 678540047 /nfs/dbraw/zinc/54/00/47/678540047.db2.gz OXFVKGFNIGHVRU-XDTLVQLUSA-N 1 1 322.365 -1.322 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001047645456 678540119 /nfs/dbraw/zinc/54/01/19/678540119.db2.gz SHANQXHAUWQCCF-STQMWFEESA-N 1 1 322.365 -1.056 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001047649422 678540339 /nfs/dbraw/zinc/54/03/39/678540339.db2.gz AQWCRJPSPWVVPK-DCAQKATOSA-N 1 1 313.354 -1.811 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047648709 678540384 /nfs/dbraw/zinc/54/03/84/678540384.db2.gz ZRQINFVGWXSLSC-STQMWFEESA-N 1 1 322.365 -1.320 20 0 DAADMO C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCOCC1 ZINC001047654464 678540539 /nfs/dbraw/zinc/54/05/39/678540539.db2.gz YPOCANHUWKOTNT-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001047661622 678540641 /nfs/dbraw/zinc/54/06/41/678540641.db2.gz IABZFQVAZRVWIL-XDTLVQLUSA-N 1 1 322.365 -1.322 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047842876 678541354 /nfs/dbraw/zinc/54/13/54/678541354.db2.gz DYCJKCHTMDPYGI-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001047897620 678541854 /nfs/dbraw/zinc/54/18/54/678541854.db2.gz IRFTUPKLYHDCQG-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952460 678542276 /nfs/dbraw/zinc/54/22/76/678542276.db2.gz ZBSFZDIYKVDSQU-UWVGGRQHSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001048004662 678543180 /nfs/dbraw/zinc/54/31/80/678543180.db2.gz PXQYLVWPCVXONK-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001048004661 678543231 /nfs/dbraw/zinc/54/32/31/678543231.db2.gz PXQYLVWPCVXONK-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047995361 678543475 /nfs/dbraw/zinc/54/34/75/678543475.db2.gz DQRWCYUJBGDSHQ-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048029379 678544365 /nfs/dbraw/zinc/54/43/65/678544365.db2.gz WTKBPSBNTSAVAG-UWVGGRQHSA-N 1 1 319.373 -1.103 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001048045764 678544500 /nfs/dbraw/zinc/54/45/00/678544500.db2.gz MWCXLUZKIOLYAR-RYUDHWBXSA-N 1 1 310.354 -1.132 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048029381 678544535 /nfs/dbraw/zinc/54/45/35/678544535.db2.gz WTKBPSBNTSAVAG-ZJUUUORDSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048130548 678546125 /nfs/dbraw/zinc/54/61/25/678546125.db2.gz VFVNHTBMWRZHEP-ZJUUUORDSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048242633 678547913 /nfs/dbraw/zinc/54/79/13/678547913.db2.gz PAHLSSWIQMQORL-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048239273 678548028 /nfs/dbraw/zinc/54/80/28/678548028.db2.gz PKTOXNGVZRHIPX-VHSXEESVSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048282831 678548434 /nfs/dbraw/zinc/54/84/34/678548434.db2.gz FKCIXGJWNFUPGY-NXEZZACHSA-N 1 1 323.401 -1.094 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048277388 678548535 /nfs/dbraw/zinc/54/85/35/678548535.db2.gz YCOSWHHCOFHLET-WDEREUQCSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048300945 678548831 /nfs/dbraw/zinc/54/88/31/678548831.db2.gz KVZVVMTUYFODEW-BDAKNGLRSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048257207 678548873 /nfs/dbraw/zinc/54/88/73/678548873.db2.gz WEULOXGUCULRIK-UWVGGRQHSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001048558165 678552687 /nfs/dbraw/zinc/55/26/87/678552687.db2.gz JIAVQBSTYWHZRX-SVNGYHJRSA-N 1 1 323.397 -1.099 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048592854 678553600 /nfs/dbraw/zinc/55/36/00/678553600.db2.gz LGLPRQISOXRZOL-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048630119 678555145 /nfs/dbraw/zinc/55/51/45/678555145.db2.gz MNCLDPBTNBZXHJ-PHIMTYICSA-N 1 1 310.354 -1.425 20 0 DAADMO CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001048632703 678555242 /nfs/dbraw/zinc/55/52/42/678555242.db2.gz USVHHXMUKAZXOM-TXEJJXNPSA-N 1 1 308.382 -1.255 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048630243 678555293 /nfs/dbraw/zinc/55/52/93/678555293.db2.gz UOTMOGGJHOSOQJ-TXEJJXNPSA-N 1 1 324.381 -1.035 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048669996 678555358 /nfs/dbraw/zinc/55/53/58/678555358.db2.gz DLWSXWJUCIYNOU-TUAOUCFPSA-N 1 1 319.369 -1.658 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048630447 678555491 /nfs/dbraw/zinc/55/54/91/678555491.db2.gz FFJJLGPOJYTLBG-BETUJISGSA-N 1 1 311.382 -1.118 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048681859 678555862 /nfs/dbraw/zinc/55/58/62/678555862.db2.gz MSOOJFKGVBTZTR-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001048690726 678555867 /nfs/dbraw/zinc/55/58/67/678555867.db2.gz OZJRSVRVZQSUGE-FRRDWIJNSA-N 1 1 311.382 -1.120 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671640 678555980 /nfs/dbraw/zinc/55/59/80/678555980.db2.gz GQOWKGRWVCUJPS-SDDRHHMPSA-N 1 1 321.385 -1.460 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671639 678556024 /nfs/dbraw/zinc/55/60/24/678556024.db2.gz GPSPLSFIMXNTKS-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1)N1CCC1 ZINC001048672112 678556053 /nfs/dbraw/zinc/55/60/53/678556053.db2.gz VBDZFZYTZDIAOG-TXEJJXNPSA-N 1 1 319.369 -1.704 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001048690690 678556213 /nfs/dbraw/zinc/55/62/13/678556213.db2.gz OKWIRGVVZHGNKH-RVMXOQNASA-N 1 1 311.382 -1.074 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048721750 678557146 /nfs/dbraw/zinc/55/71/46/678557146.db2.gz QPDDNHDRUBWVGK-KXNHARMFSA-N 1 1 306.366 -1.456 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048722155 678557222 /nfs/dbraw/zinc/55/72/22/678557222.db2.gz YQFDKMNJQHFIRY-NTZNESFSSA-N 1 1 318.381 -1.016 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048723815 678557233 /nfs/dbraw/zinc/55/72/33/678557233.db2.gz QGLPRTMAHPPZST-NNYUYHANSA-N 1 1 308.382 -1.210 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048733541 678557887 /nfs/dbraw/zinc/55/78/87/678557887.db2.gz HWSKSWPADGUMJK-KXUCPTDWSA-N 1 1 308.338 -1.943 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C1 ZINC001048730759 678558129 /nfs/dbraw/zinc/55/81/29/678558129.db2.gz SUOPGFPYYLYVGR-AOOOYVTPSA-N 1 1 304.354 -1.191 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048732882 678558190 /nfs/dbraw/zinc/55/81/90/678558190.db2.gz STDTZOCERGZJNN-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O ZINC001048734286 678558591 /nfs/dbraw/zinc/55/85/91/678558591.db2.gz OTMCNYMSGGYWJB-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738783 678558902 /nfs/dbraw/zinc/55/89/02/678558902.db2.gz CRJMPAMYWVFHJL-XJFOESAGSA-N 1 1 322.409 -1.404 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048772714 678559350 /nfs/dbraw/zinc/55/93/50/678559350.db2.gz ADGFYEYDPGQDNV-UPJWGTAASA-N 1 1 310.398 -1.417 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048774832 678559435 /nfs/dbraw/zinc/55/94/35/678559435.db2.gz YUGWFCVUJISJBK-OKILXGFUSA-N 1 1 324.425 -1.203 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048775153 678559587 /nfs/dbraw/zinc/55/95/87/678559587.db2.gz SHQPNQALARBIOV-MCIONIFRSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048775990 678559597 /nfs/dbraw/zinc/55/95/97/678559597.db2.gz GIRCACOSDSVWCV-RVMXOQNASA-N 1 1 310.398 -1.419 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762825 678559765 /nfs/dbraw/zinc/55/97/65/678559765.db2.gz MYPHUNCTXOBDOJ-KXNHARMFSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793308 678560171 /nfs/dbraw/zinc/56/01/71/678560171.db2.gz GZDAYUOMMIYCOZ-OUAUKWLOSA-N 1 1 310.354 -1.427 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)C1=O ZINC001048792811 678560339 /nfs/dbraw/zinc/56/03/39/678560339.db2.gz CLEQERJDHQQXES-USZNOCQGSA-N 1 1 322.365 -1.284 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]3C2)C1 ZINC001048787564 678560348 /nfs/dbraw/zinc/56/03/48/678560348.db2.gz AXRXVWJQPXSBSA-BETUJISGSA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048777816 678560414 /nfs/dbraw/zinc/56/04/14/678560414.db2.gz SKVWMUGYPGZEKU-XQQFMLRXSA-N 1 1 310.398 -1.547 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)c1N ZINC001048781124 678560549 /nfs/dbraw/zinc/56/05/49/678560549.db2.gz WPIBICYCTJWYAP-UMNHJUIQSA-N 1 1 318.381 -1.105 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)C1=O ZINC001048792813 678560592 /nfs/dbraw/zinc/56/05/92/678560592.db2.gz CLEQERJDHQQXES-WRWGMCAJSA-N 1 1 322.365 -1.284 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001048796335 678560782 /nfs/dbraw/zinc/56/07/82/678560782.db2.gz MCIMJRQHTGGHEE-JFGNBEQYSA-N 1 1 322.365 -1.236 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)nn1 ZINC001048801784 678560840 /nfs/dbraw/zinc/56/08/40/678560840.db2.gz ZAEYDFCBDHYBSC-UMNHJUIQSA-N 1 1 304.354 -1.293 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048796045 678560863 /nfs/dbraw/zinc/56/08/63/678560863.db2.gz BCSIEVARXWIBIU-KXNHARMFSA-N 1 1 322.365 -1.236 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796182 678560977 /nfs/dbraw/zinc/56/09/77/678560977.db2.gz GGVSNMXFVGEZEY-YTWAJWBKSA-N 1 1 308.338 -1.627 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796383 678561303 /nfs/dbraw/zinc/56/13/03/678561303.db2.gz NRPCIGXTMUENPZ-UMNHJUIQSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794484 678561312 /nfs/dbraw/zinc/56/13/12/678561312.db2.gz WUGNSSUBIJPNTQ-NNYUYHANSA-N 1 1 324.381 -1.038 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)nn1 ZINC001048796179 678561318 /nfs/dbraw/zinc/56/13/18/678561318.db2.gz GFINRBINDPKXOJ-UMNHJUIQSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)nn1 ZINC001048796179 678561320 /nfs/dbraw/zinc/56/13/20/678561320.db2.gz GFINRBINDPKXOJ-UMNHJUIQSA-N 1 1 320.353 -1.186 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001048804970 678561683 /nfs/dbraw/zinc/56/16/83/678561683.db2.gz WOKOGZSUDQMCFZ-GARJFASQSA-N 1 1 306.370 -1.047 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821796 678561808 /nfs/dbraw/zinc/56/18/08/678561808.db2.gz DFEBVAPHBHKLRC-PHIMTYICSA-N 1 1 307.358 -1.849 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827853 678562551 /nfs/dbraw/zinc/56/25/51/678562551.db2.gz JGOBMHXTQDTKDH-MXWKQRLJSA-N 1 1 322.369 -1.852 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)C1=O ZINC001048823199 678562675 /nfs/dbraw/zinc/56/26/75/678562675.db2.gz XNBKHYURXBGPSI-GRYCIOLGSA-N 1 1 319.369 -1.706 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC001048841702 678562961 /nfs/dbraw/zinc/56/29/61/678562961.db2.gz ZCLHAXLQJXJQGK-AOOOYVTPSA-N 1 1 315.337 -1.387 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048838464 678563072 /nfs/dbraw/zinc/56/30/72/678563072.db2.gz LIPVBVJPDZVRGU-PHIMTYICSA-N 1 1 302.396 -1.196 20 0 DAADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)N1C(=O)CCC1=O ZINC001048848770 678563299 /nfs/dbraw/zinc/56/32/99/678563299.db2.gz SWGGFTYPALVZDY-MXWKQRLJSA-N 1 1 322.365 -1.601 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1=O ZINC001048848801 678563498 /nfs/dbraw/zinc/56/34/98/678563498.db2.gz UXMJXSJJUPBAAJ-WUHRBBMRSA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048866144 678563886 /nfs/dbraw/zinc/56/38/86/678563886.db2.gz WGUJFUSQCGLFNE-UTUOFQBUSA-N 1 1 324.381 -1.891 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048860419 678564012 /nfs/dbraw/zinc/56/40/12/678564012.db2.gz SYDONZUVNNNTNW-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048860418 678564029 /nfs/dbraw/zinc/56/40/29/678564029.db2.gz SYDONZUVNNNTNW-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048866029 678564039 /nfs/dbraw/zinc/56/40/39/678564039.db2.gz VCXGRCLDNGVJGV-PHIMTYICSA-N 1 1 310.354 -2.279 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048857749 678564094 /nfs/dbraw/zinc/56/40/94/678564094.db2.gz CLQUHBAPUCUHGH-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048865899 678564129 /nfs/dbraw/zinc/56/41/29/678564129.db2.gz RLPJRCWFBBCEJI-BETUJISGSA-N 1 1 311.382 -1.382 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048866107 678564223 /nfs/dbraw/zinc/56/42/23/678564223.db2.gz WGDFSBUMPKQANP-RWMBFGLXSA-N 1 1 311.382 -1.384 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC001048870653 678564645 /nfs/dbraw/zinc/56/46/45/678564645.db2.gz KHXIHTWNJKSNCG-MXWKQRLJSA-N 1 1 319.365 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048869392 678564951 /nfs/dbraw/zinc/56/49/51/678564951.db2.gz VZJZPZZFLNIWNM-QEYWKRMJSA-N 1 1 323.353 -2.152 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048878380 678565001 /nfs/dbraw/zinc/56/50/01/678565001.db2.gz JNWJFHRHCWHFPN-QNWHQSFQSA-N 1 1 320.393 -1.209 20 0 DAADMO CC[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCNC1=O ZINC001048870924 678565054 /nfs/dbraw/zinc/56/50/54/678565054.db2.gz FJDGSMKCWXJWJM-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048907107 678565565 /nfs/dbraw/zinc/56/55/65/678565565.db2.gz VDCDOYAMFAMKSQ-SDDRHHMPSA-N 1 1 309.370 -1.647 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1=O ZINC001048898353 678565719 /nfs/dbraw/zinc/56/57/19/678565719.db2.gz PZAJSMPELRXURT-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912191 678565884 /nfs/dbraw/zinc/56/58/84/678565884.db2.gz FNSZHNOWRLNULS-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001048925720 678566537 /nfs/dbraw/zinc/56/65/37/678566537.db2.gz XOSAXSRRBUJBCO-PHIMTYICSA-N 1 1 322.365 -1.599 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC(=O)CC3)C[C@H]2C1 ZINC001048962771 678566925 /nfs/dbraw/zinc/56/69/25/678566925.db2.gz RQMDVGKQRHRAEF-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@H]2C1 ZINC001048954347 678567105 /nfs/dbraw/zinc/56/71/05/678567105.db2.gz NLPGNWIQWDQPSJ-AXFHLTTASA-N 1 1 315.395 -1.690 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1=O ZINC001048957169 678567269 /nfs/dbraw/zinc/56/72/69/678567269.db2.gz FVWKRGXHTSDWPO-PHIMTYICSA-N 1 1 322.369 -2.153 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)ncc1=O ZINC001048943855 678567380 /nfs/dbraw/zinc/56/73/80/678567380.db2.gz IEJBKAYTLDTLQO-AOOOYVTPSA-N 1 1 305.338 -1.731 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c1=O ZINC001048975603 678567614 /nfs/dbraw/zinc/56/76/14/678567614.db2.gz SQFHTBIKJNOZTN-AOOOYVTPSA-N 1 1 308.338 -1.518 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1=O ZINC001048975669 678567739 /nfs/dbraw/zinc/56/77/39/678567739.db2.gz XRGQQKKBWVFGQQ-DTORHVGOSA-N 1 1 321.337 -2.025 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978981 678568317 /nfs/dbraw/zinc/56/83/17/678568317.db2.gz LRNHJDRBLDCRNS-WYUUTHIRSA-N 1 1 323.397 -1.465 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048979754 678568354 /nfs/dbraw/zinc/56/83/54/678568354.db2.gz IZFGQKKZMGFRNY-WRWGMCAJSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048981119 678568366 /nfs/dbraw/zinc/56/83/66/678568366.db2.gz SCDMQZXEOZPZCD-RVMXOQNASA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978268 678568411 /nfs/dbraw/zinc/56/84/11/678568411.db2.gz BAEQYLKXRILDTP-MMWGEVLESA-N 1 1 309.370 -1.726 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978980 678568485 /nfs/dbraw/zinc/56/84/85/678568485.db2.gz LRNHJDRBLDCRNS-WISYIIOYSA-N 1 1 323.397 -1.465 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048981116 678568519 /nfs/dbraw/zinc/56/85/19/678568519.db2.gz SCDMQZXEOZPZCD-NDBYEHHHSA-N 1 1 322.409 -1.011 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977783 678568636 /nfs/dbraw/zinc/56/86/36/678568636.db2.gz LHJXWEQZNGURDE-MCIONIFRSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)C1=O ZINC001048981776 678568705 /nfs/dbraw/zinc/56/87/05/678568705.db2.gz YGGONHGJPPCKGX-XQHKEYJVSA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048981112 678568859 /nfs/dbraw/zinc/56/88/59/678568859.db2.gz SCDMQZXEOZPZCD-FVCCEPFGSA-N 1 1 322.409 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048977744 678568880 /nfs/dbraw/zinc/56/88/80/678568880.db2.gz KNYMWTOJKDUCED-GRYCIOLGSA-N 1 1 308.382 -1.399 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)C[C@@H]3C2)NC1=O ZINC001048979350 678568916 /nfs/dbraw/zinc/56/89/16/678568916.db2.gz UGYONIOXBLECCI-UMNHJUIQSA-N 1 1 320.353 -1.017 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)C[C@@H]3C2)NC1=O ZINC001048979350 678568919 /nfs/dbraw/zinc/56/89/19/678568919.db2.gz UGYONIOXBLECCI-UMNHJUIQSA-N 1 1 320.353 -1.017 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048978091 678568931 /nfs/dbraw/zinc/56/89/31/678568931.db2.gz VBQYNDGPTRDFRZ-LOWVWBTDSA-N 1 1 318.381 -1.159 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048981882 678568938 /nfs/dbraw/zinc/56/89/38/678568938.db2.gz ZYNLYLHVMKXZIV-NNYUYHANSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977737 678568953 /nfs/dbraw/zinc/56/89/53/678568953.db2.gz KCTVKYOPISNRKY-UTUOFQBUSA-N 1 1 323.397 -2.318 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001048983705 678569176 /nfs/dbraw/zinc/56/91/76/678569176.db2.gz KAGHWSJAUYYEIA-TUAOUCFPSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992708 678569267 /nfs/dbraw/zinc/56/92/67/678569267.db2.gz OCFCUPQVZYQJIJ-NNYUYHANSA-N 1 1 308.382 -1.271 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1=O ZINC001048992978 678569326 /nfs/dbraw/zinc/56/93/26/678569326.db2.gz UDOIBZASWYQPRR-XQHKEYJVSA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)n1 ZINC001048990972 678569364 /nfs/dbraw/zinc/56/93/64/678569364.db2.gz DXHMCIQHLJAGIH-OUAUKWLOSA-N 1 1 319.369 -1.555 20 0 DAADMO CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001048984131 678569479 /nfs/dbraw/zinc/56/94/79/678569479.db2.gz DLRNJYBTJGJRLP-IHRRRGAJSA-N 1 1 323.397 -1.137 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC(=O)NC1 ZINC001048998968 678569592 /nfs/dbraw/zinc/56/95/92/678569592.db2.gz HSNQASHUICHUTM-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048991378 678569652 /nfs/dbraw/zinc/56/96/52/678569652.db2.gz SVRYKRXZOCGMBE-KXUCPTDWSA-N 1 1 305.342 -1.898 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992709 678569746 /nfs/dbraw/zinc/56/97/46/678569746.db2.gz OCFCUPQVZYQJIJ-WISYIIOYSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018673 678570124 /nfs/dbraw/zinc/57/01/24/678570124.db2.gz HETIBFPEIGNTON-JFGNBEQYSA-N 1 1 319.369 -1.613 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018834 678570308 /nfs/dbraw/zinc/57/03/08/678570308.db2.gz LIEQYVYBNCUANN-JFGNBEQYSA-N 1 1 319.369 -1.613 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018834 678570312 /nfs/dbraw/zinc/57/03/12/678570312.db2.gz LIEQYVYBNCUANN-JFGNBEQYSA-N 1 1 319.369 -1.613 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019666 678570322 /nfs/dbraw/zinc/57/03/22/678570322.db2.gz UQKDDGSKLBFOCY-YFKTTZPYSA-N 1 1 323.397 -1.465 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049012392 678570331 /nfs/dbraw/zinc/57/03/31/678570331.db2.gz AXFRORLVJZGWTM-AOOOYVTPSA-N 1 1 305.338 -1.480 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)nn1 ZINC001049018526 678570436 /nfs/dbraw/zinc/57/04/36/678570436.db2.gz FLGSCJFLTJTKEK-UMNHJUIQSA-N 1 1 319.369 -1.613 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)nn1 ZINC001049018526 678570438 /nfs/dbraw/zinc/57/04/38/678570438.db2.gz FLGSCJFLTJTKEK-UMNHJUIQSA-N 1 1 319.369 -1.613 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049003209 678570686 /nfs/dbraw/zinc/57/06/86/678570686.db2.gz CXLZABUKUJAGPP-QWRGUYRKSA-N 1 1 312.370 -2.014 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049002995 678570698 /nfs/dbraw/zinc/57/06/98/678570698.db2.gz XSAHAOUEMMKFGB-QNWHQSFQSA-N 1 1 320.393 -1.114 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC(=O)NC1 ZINC001048998969 678570807 /nfs/dbraw/zinc/57/08/07/678570807.db2.gz HSNQASHUICHUTM-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049018554 678570850 /nfs/dbraw/zinc/57/08/50/678570850.db2.gz GJAFSOZAFSGYLZ-YTWAJWBKSA-N 1 1 307.354 -2.054 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049018280 678570874 /nfs/dbraw/zinc/57/08/74/678570874.db2.gz CGHKNCGCWBDEKH-FRRDWIJNSA-N 1 1 318.381 -1.045 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)CN3CCCC3=O)C[C@@H]2C1 ZINC001049022049 678571068 /nfs/dbraw/zinc/57/10/68/678571068.db2.gz IKYWDXUBFHLORO-TUAOUCFPSA-N 1 1 324.381 -2.155 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049020094 678571132 /nfs/dbraw/zinc/57/11/32/678571132.db2.gz XOOQIIUXRIQPCS-NTZNESFSSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049020094 678571136 /nfs/dbraw/zinc/57/11/36/678571136.db2.gz XOOQIIUXRIQPCS-NTZNESFSSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020129 678571226 /nfs/dbraw/zinc/57/12/26/678571226.db2.gz YFHBJNRYTZXUPW-NTZNESFSSA-N 1 1 318.381 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022610 678571249 /nfs/dbraw/zinc/57/12/49/678571249.db2.gz NXCADWNCVLNQMH-GARJFASQSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@@H]2C1 ZINC001049020456 678571589 /nfs/dbraw/zinc/57/15/89/678571589.db2.gz FDKKQINRHHMDMD-AOOOYVTPSA-N 1 1 318.337 -1.709 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@@H]2C1 ZINC001049020456 678571592 /nfs/dbraw/zinc/57/15/92/678571592.db2.gz FDKKQINRHHMDMD-AOOOYVTPSA-N 1 1 318.337 -1.709 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020059 678571670 /nfs/dbraw/zinc/57/16/70/678571670.db2.gz WXNKWNCHMSADJG-LOWVWBTDSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)cc1=O ZINC001049020200 678571800 /nfs/dbraw/zinc/57/18/00/678571800.db2.gz ZXHPEDIBXBTRDZ-TXEJJXNPSA-N 1 1 304.350 -1.239 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001049023068 678572025 /nfs/dbraw/zinc/57/20/25/678572025.db2.gz LLHTVKQZDVVGGL-OUAUKWLOSA-N 1 1 304.354 -1.359 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C1 ZINC001049040673 678572158 /nfs/dbraw/zinc/57/21/58/678572158.db2.gz ZAENGOJZCXAFER-ZVXAKGHKSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)CCO1 ZINC001049023121 678572207 /nfs/dbraw/zinc/57/22/07/678572207.db2.gz NTDFYVAYKRVJEY-UTUOFQBUSA-N 1 1 324.381 -1.891 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001049023229 678572568 /nfs/dbraw/zinc/57/25/68/678572568.db2.gz READCHZEUVPKNK-GARJFASQSA-N 1 1 315.395 -1.703 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049060715 678572656 /nfs/dbraw/zinc/57/26/56/678572656.db2.gz KQJISHCLVDSBRW-FHUSYTEZSA-N 1 1 320.393 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049054346 678572798 /nfs/dbraw/zinc/57/27/98/678572798.db2.gz NOOAPRRPTVASPT-RWSFTLGLSA-N 1 1 308.382 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049055695 678572896 /nfs/dbraw/zinc/57/28/96/678572896.db2.gz HTYWZFSLRNMOET-OZVIIMIRSA-N 1 1 322.409 -1.009 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001049061447 678572942 /nfs/dbraw/zinc/57/29/42/678572942.db2.gz NEULQWORQYGWQV-RYUDHWBXSA-N 1 1 324.385 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049056018 678573076 /nfs/dbraw/zinc/57/30/76/678573076.db2.gz KHQDDBNMYKXICB-KIGUWFBYSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049061733 678573165 /nfs/dbraw/zinc/57/31/65/678573165.db2.gz ZDAQMDZPJOBDES-KXNHARMFSA-N 1 1 308.382 -1.414 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049063250 678573326 /nfs/dbraw/zinc/57/33/26/678573326.db2.gz KRNFSUHCISKYRL-XQHKEYJVSA-N 1 1 318.381 -1.210 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001049092806 678573402 /nfs/dbraw/zinc/57/34/02/678573402.db2.gz NFDHSDWTYKJUKO-PHIMTYICSA-N 1 1 322.365 -1.920 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3cnn(C)n3)C[C@H]2C1 ZINC001049063555 678573484 /nfs/dbraw/zinc/57/34/84/678573484.db2.gz ZRSQFRYJFSIARD-TXEJJXNPSA-N 1 1 320.397 -1.116 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC001049063479 678573496 /nfs/dbraw/zinc/57/34/96/678573496.db2.gz WUFRAHXZGBVGJA-LBELIVKGSA-N 1 1 322.409 -1.025 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049063455 678573505 /nfs/dbraw/zinc/57/35/05/678573505.db2.gz VIPPJXMCWSMQIZ-ZIQFBCGOSA-N 1 1 308.382 -1.368 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1=O ZINC001049093635 678573760 /nfs/dbraw/zinc/57/37/60/678573760.db2.gz JOBUEPVLPVZXOC-AOOOYVTPSA-N 1 1 324.337 -2.211 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118495 678574388 /nfs/dbraw/zinc/57/43/88/678574388.db2.gz YXLNOAIQINNBPA-MXWKQRLJSA-N 1 1 310.354 -1.691 20 0 DAADMO COc1cncc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001049101142 678574397 /nfs/dbraw/zinc/57/43/97/678574397.db2.gz ZHLWUFTVHSYTFS-AOOOYVTPSA-N 1 1 305.338 -1.026 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049111954 678574409 /nfs/dbraw/zinc/57/44/09/678574409.db2.gz BITPSVZWYHONGP-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO CCn1nc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)ccc1=O ZINC001049119094 678574569 /nfs/dbraw/zinc/57/45/69/678574569.db2.gz PJTSRTQGVXHFEQ-PHIMTYICSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049118873 678574634 /nfs/dbraw/zinc/57/46/34/678574634.db2.gz ICRGINASEBIOJD-TXEJJXNPSA-N 1 1 322.365 -1.691 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128849 678574899 /nfs/dbraw/zinc/57/48/99/678574899.db2.gz LPALUGFCZCVAHN-MXWKQRLJSA-N 1 1 307.358 -1.673 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnccc3=O)C[C@H]2C1 ZINC001049140348 678574949 /nfs/dbraw/zinc/57/49/49/678574949.db2.gz JZNQEUSSXFLIQY-TXEJJXNPSA-N 1 1 319.365 -1.491 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049154332 678575036 /nfs/dbraw/zinc/57/50/36/678575036.db2.gz SRKMRNHYBOLMPM-PHIMTYICSA-N 1 1 324.381 -1.301 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001049122767 678575048 /nfs/dbraw/zinc/57/50/48/678575048.db2.gz INHQKSRQHLQIPM-AOOOYVTPSA-N 1 1 313.383 -1.147 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001049122767 678575052 /nfs/dbraw/zinc/57/50/52/678575052.db2.gz INHQKSRQHLQIPM-AOOOYVTPSA-N 1 1 313.383 -1.147 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049122775 678575082 /nfs/dbraw/zinc/57/50/82/678575082.db2.gz IVJQQNWDHLCUSG-AEJSXWLSSA-N 1 1 318.337 -1.386 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049128844 678575142 /nfs/dbraw/zinc/57/51/42/678575142.db2.gz LKZWNGSXSGVVDQ-TUAOUCFPSA-N 1 1 319.369 -1.658 20 0 DAADMO O=C(c1cnon1)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049123404 678575190 /nfs/dbraw/zinc/57/51/90/678575190.db2.gz DAVZNMPVVAIYTJ-NGZCFLSTSA-N 1 1 319.321 -1.121 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154408 678575242 /nfs/dbraw/zinc/57/52/42/678575242.db2.gz AXKKVBJEAUQTDR-UTUOFQBUSA-N 1 1 324.381 -1.301 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049160700 678575743 /nfs/dbraw/zinc/57/57/43/678575743.db2.gz HMQQXIGZBFFLGX-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049168627 678576441 /nfs/dbraw/zinc/57/64/41/678576441.db2.gz IRGIATKNNDUZFE-DTORHVGOSA-N 1 1 324.337 -1.108 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C(C)=O)C3)C[C@H]2C1 ZINC001049194180 678576510 /nfs/dbraw/zinc/57/65/10/678576510.db2.gz MCBQWLPEVOPYEC-MCIONIFRSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4n[nH]nc4C3)C[C@H]2C1 ZINC001049170274 678576542 /nfs/dbraw/zinc/57/65/42/678576542.db2.gz KXMNEOCPYFNRBC-GARJFASQSA-N 1 1 318.381 -1.215 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C(C)=O)C3)C[C@H]2C1 ZINC001049194181 678576563 /nfs/dbraw/zinc/57/65/63/678576563.db2.gz MCBQWLPEVOPYEC-MELADBBJSA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179146 678576757 /nfs/dbraw/zinc/57/67/57/678576757.db2.gz QGLPRTMAHPPZST-YFKTTZPYSA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)n1 ZINC001049182808 678576813 /nfs/dbraw/zinc/57/68/13/678576813.db2.gz BGKZTMNXZHBRPX-BETUJISGSA-N 1 1 306.366 -1.066 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049178727 678576906 /nfs/dbraw/zinc/57/69/06/678576906.db2.gz KSCUNUZBDNACLN-RNJOBUHISA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049202105 678577422 /nfs/dbraw/zinc/57/74/22/678577422.db2.gz CKHULCNNKLXAGE-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)c(=O)n1C ZINC001049198022 678577456 /nfs/dbraw/zinc/57/74/56/678577456.db2.gz ZAXWUBXYCCZQQE-BETUJISGSA-N 1 1 323.397 -1.337 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001049195978 678577478 /nfs/dbraw/zinc/57/74/78/678577478.db2.gz BFFGMNYHDHMDRI-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206388 678577689 /nfs/dbraw/zinc/57/76/89/678577689.db2.gz MUMGWXUXZDDNSY-MXWKQRLJSA-N 1 1 322.365 -1.601 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2C1 ZINC001049207293 678577695 /nfs/dbraw/zinc/57/76/95/678577695.db2.gz CJAICPIJHGDHCD-BETUJISGSA-N 1 1 318.377 -1.016 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049206115 678577714 /nfs/dbraw/zinc/57/77/14/678577714.db2.gz RXSCZWKYAHQVBT-GARJFASQSA-N 1 1 310.354 -1.691 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205418 678577754 /nfs/dbraw/zinc/57/77/54/678577754.db2.gz KWEFPLULLIKJSY-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049206722 678577805 /nfs/dbraw/zinc/57/78/05/678577805.db2.gz ZFNAAQQLERQZKS-TXEJJXNPSA-N 1 1 309.366 -1.092 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC001049205386 678578000 /nfs/dbraw/zinc/57/80/00/678578000.db2.gz JPOVLUDIADDAJB-TXEJJXNPSA-N 1 1 324.381 -1.083 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]2C1 ZINC001049204962 678578111 /nfs/dbraw/zinc/57/81/11/678578111.db2.gz ANCPUWVNGBSVSP-UTUOFQBUSA-N 1 1 324.381 -1.349 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205034 678578133 /nfs/dbraw/zinc/57/81/33/678578133.db2.gz DMPMOAQTCZZYTG-AOOOYVTPSA-N 1 1 323.353 -2.326 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049205675 678578154 /nfs/dbraw/zinc/57/81/54/678578154.db2.gz YGIGEXQCOSXNEB-PHIMTYICSA-N 1 1 310.354 -1.689 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206387 678578199 /nfs/dbraw/zinc/57/81/99/678578199.db2.gz MUMGWXUXZDDNSY-GARJFASQSA-N 1 1 322.365 -1.601 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)nn1 ZINC001049205227 678578256 /nfs/dbraw/zinc/57/82/56/678578256.db2.gz ZDBZHHOKYJGMIP-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)nn1 ZINC001049205227 678578259 /nfs/dbraw/zinc/57/82/59/678578259.db2.gz ZDBZHHOKYJGMIP-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)c(=O)[nH]c1=O ZINC001049212141 678578296 /nfs/dbraw/zinc/57/82/96/678578296.db2.gz PGSUJURGRSYXNB-PHIMTYICSA-N 1 1 322.365 -1.128 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049219031 678578873 /nfs/dbraw/zinc/57/88/73/678578873.db2.gz CJSLNLUOGDEQDV-GRYCIOLGSA-N 1 1 317.411 -1.285 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049222481 678578882 /nfs/dbraw/zinc/57/88/82/678578882.db2.gz JIWQXDGXGLTHPP-FRRDWIJNSA-N 1 1 310.398 -1.417 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cncc(C(N)=O)c3)C[C@H]2C1 ZINC001049220263 678578983 /nfs/dbraw/zinc/57/89/83/678578983.db2.gz JTDAGYZWXXAQII-TXEJJXNPSA-N 1 1 317.349 -1.330 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254148 678579623 /nfs/dbraw/zinc/57/96/23/678579623.db2.gz IGNUGRCOLPBNFO-LPEHRKFASA-N 1 1 308.338 -2.085 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049312499 678579793 /nfs/dbraw/zinc/57/97/93/678579793.db2.gz DZOAALZZTQFOPG-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420676 678582277 /nfs/dbraw/zinc/58/22/77/678582277.db2.gz WKROJZLEBTXORV-QWHCGFSZSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420676 678582279 /nfs/dbraw/zinc/58/22/79/678582279.db2.gz WKROJZLEBTXORV-QWHCGFSZSA-N 1 1 310.398 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049430041 678582485 /nfs/dbraw/zinc/58/24/85/678582485.db2.gz YZHUISRYWVLZEW-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001049541613 678582826 /nfs/dbraw/zinc/58/28/26/678582826.db2.gz AZKLJCRAFYDVGQ-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)cc1=O ZINC001049527803 678583025 /nfs/dbraw/zinc/58/30/25/678583025.db2.gz AZVFLTHPWCXUQK-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)cc1=O ZINC001049527803 678583028 /nfs/dbraw/zinc/58/30/28/678583028.db2.gz AZVFLTHPWCXUQK-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)n1 ZINC001049482276 678583073 /nfs/dbraw/zinc/58/30/73/678583073.db2.gz LUWMLJXLTGTZAY-WDEREUQCSA-N 1 1 322.369 -1.565 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)c1=O ZINC001049562922 678583869 /nfs/dbraw/zinc/58/38/69/678583869.db2.gz YXBRSJVZZBRDMG-NEPJUHHUSA-N 1 1 309.370 -1.361 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049639987 678584262 /nfs/dbraw/zinc/58/42/62/678584262.db2.gz SPLFMNUDQLCQET-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640419 678584304 /nfs/dbraw/zinc/58/43/04/678584304.db2.gz VKDBTJZWEQCFQK-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640419 678584308 /nfs/dbraw/zinc/58/43/08/678584308.db2.gz VKDBTJZWEQCFQK-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640418 678584419 /nfs/dbraw/zinc/58/44/19/678584419.db2.gz VKDBTJZWEQCFQK-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640418 678584421 /nfs/dbraw/zinc/58/44/21/678584421.db2.gz VKDBTJZWEQCFQK-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049638887 678584441 /nfs/dbraw/zinc/58/44/41/678584441.db2.gz MZICFYRBQRVNRP-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049639978 678584461 /nfs/dbraw/zinc/58/44/61/678584461.db2.gz SPLFMNUDQLCQET-KBPBESRZSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049638886 678584465 /nfs/dbraw/zinc/58/44/65/678584465.db2.gz MZICFYRBQRVNRP-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652945 678584644 /nfs/dbraw/zinc/58/46/44/678584644.db2.gz YZQKXXQKSGQGQU-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652945 678584647 /nfs/dbraw/zinc/58/46/47/678584647.db2.gz YZQKXXQKSGQGQU-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049687842 678584922 /nfs/dbraw/zinc/58/49/22/678584922.db2.gz NJODTTBZNXZYIX-QWRGUYRKSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674453 678584998 /nfs/dbraw/zinc/58/49/98/678584998.db2.gz DCNYEDUEAHCGBQ-GHMZBOCLSA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674453 678585002 /nfs/dbraw/zinc/58/50/02/678585002.db2.gz DCNYEDUEAHCGBQ-GHMZBOCLSA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049683646 678585068 /nfs/dbraw/zinc/58/50/68/678585068.db2.gz PRENYMWXLPBREH-GHMZBOCLSA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)Cn1cccn1 ZINC001049687577 678585236 /nfs/dbraw/zinc/58/52/36/678585236.db2.gz LXFMKXBKJGNSNR-YNEHKIRRSA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001049687575 678585457 /nfs/dbraw/zinc/58/54/57/678585457.db2.gz LXFMKXBKJGNSNR-UPJWGTAASA-N 1 1 321.381 -1.205 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)C1=O ZINC001049842147 678585705 /nfs/dbraw/zinc/58/57/05/678585705.db2.gz VNYYEZAJFWGJGR-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790338 678585834 /nfs/dbraw/zinc/58/58/34/678585834.db2.gz KXPQDAHUAGKCEQ-QJPTWQEYSA-N 1 1 324.381 -1.016 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)C1=O ZINC001049842150 678585856 /nfs/dbraw/zinc/58/58/56/678585856.db2.gz VNYYEZAJFWGJGR-VXGBXAGGSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049791255 678585871 /nfs/dbraw/zinc/58/58/71/678585871.db2.gz RDFZJQLADWEOSZ-GHMZBOCLSA-N 1 1 310.354 -1.404 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790046 678586095 /nfs/dbraw/zinc/58/60/95/678586095.db2.gz JSSCVWSPDKVVQO-NXEZZACHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790046 678586097 /nfs/dbraw/zinc/58/60/97/678586097.db2.gz JSSCVWSPDKVVQO-NXEZZACHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790049 678586121 /nfs/dbraw/zinc/58/61/21/678586121.db2.gz JSSCVWSPDKVVQO-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790049 678586123 /nfs/dbraw/zinc/58/61/23/678586123.db2.gz JSSCVWSPDKVVQO-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049791258 678586129 /nfs/dbraw/zinc/58/61/29/678586129.db2.gz RDFZJQLADWEOSZ-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)c(=O)n1C ZINC001049869227 678586468 /nfs/dbraw/zinc/58/64/68/678586468.db2.gz DZFTZIJOLXCVPP-QWHCGFSZSA-N 1 1 323.397 -1.052 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049884693 678586577 /nfs/dbraw/zinc/58/65/77/678586577.db2.gz KZKPCGXVFPYLNL-SDDRHHMPSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049880618 678586609 /nfs/dbraw/zinc/58/66/09/678586609.db2.gz BVKZVMNNXWWUET-GHMZBOCLSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049880697 678586731 /nfs/dbraw/zinc/58/67/31/678586731.db2.gz DMXUCMFYDUHIEK-VXGBXAGGSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)C1=O ZINC001049887143 678586744 /nfs/dbraw/zinc/58/67/44/678586744.db2.gz VMRFSJFKPMBQOA-VXGBXAGGSA-N 1 1 324.381 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049968655 678587102 /nfs/dbraw/zinc/58/71/02/678587102.db2.gz VHMDSZFJHXJNEQ-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049968292 678587141 /nfs/dbraw/zinc/58/71/41/678587141.db2.gz RBBIUMXTVUKYHC-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049968292 678587145 /nfs/dbraw/zinc/58/71/45/678587145.db2.gz RBBIUMXTVUKYHC-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049933816 678587405 /nfs/dbraw/zinc/58/74/05/678587405.db2.gz NDOMESCMIOSZAZ-GMTAPVOTSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049933816 678587407 /nfs/dbraw/zinc/58/74/07/678587407.db2.gz NDOMESCMIOSZAZ-GMTAPVOTSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671617 678588451 /nfs/dbraw/zinc/58/84/51/678588451.db2.gz OVPRGLOEYTWHFN-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001052707970 678589005 /nfs/dbraw/zinc/58/90/05/678589005.db2.gz PWCZSCHDDCCTRV-OUAUKWLOSA-N 1 1 312.370 -1.525 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)CC1)[C@@H]1CNC(=O)N1 ZINC001052671956 678589180 /nfs/dbraw/zinc/58/91/80/678589180.db2.gz QYRSTJHJACIHPM-RYUDHWBXSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001052755652 678589203 /nfs/dbraw/zinc/58/92/03/678589203.db2.gz WYFLHFQEEPANSU-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001052680264 678589287 /nfs/dbraw/zinc/58/92/87/678589287.db2.gz YKYKXOSXSGTUOZ-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792151 678589792 /nfs/dbraw/zinc/58/97/92/678589792.db2.gz MHQFREXMUQOEET-JTQLQIEISA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052923177 678591035 /nfs/dbraw/zinc/59/10/35/678591035.db2.gz WTJYSQCBYARVGZ-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052920829 678591115 /nfs/dbraw/zinc/59/11/15/678591115.db2.gz FCEIJOOOPZJQDU-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)ccc1=O ZINC001052916630 678591351 /nfs/dbraw/zinc/59/13/51/678591351.db2.gz QKCBHWKKPUAJNF-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052958738 678591839 /nfs/dbraw/zinc/59/18/39/678591839.db2.gz OKBXQMKDOWSWEK-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC001052952018 678591956 /nfs/dbraw/zinc/59/19/56/678591956.db2.gz AJCKLXASDPFOJY-VIFPVBQESA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC001052952018 678591964 /nfs/dbraw/zinc/59/19/64/678591964.db2.gz AJCKLXASDPFOJY-VIFPVBQESA-N 1 1 323.357 -2.167 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001052946522 678592116 /nfs/dbraw/zinc/59/21/16/678592116.db2.gz VCTYTURGSIXHSP-QWRGUYRKSA-N 1 1 305.400 -1.359 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001052986729 678592737 /nfs/dbraw/zinc/59/27/37/678592737.db2.gz IWNFMMCPHULOFU-MWLCHTKSSA-N 1 1 307.354 -1.112 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN([C@H]3CCNC3=O)C2)C1 ZINC001053190396 678595049 /nfs/dbraw/zinc/59/50/49/678595049.db2.gz SYGMKWIMGBOZON-QWHCGFSZSA-N 1 1 322.409 -1.118 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@H]3CCNC3=O)C2)C1 ZINC001053190397 678595086 /nfs/dbraw/zinc/59/50/86/678595086.db2.gz SYGMKWIMGBOZON-STQMWFEESA-N 1 1 322.409 -1.118 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CCCO)C3)C2)C1 ZINC001053202509 678595502 /nfs/dbraw/zinc/59/55/02/678595502.db2.gz VPJWYKQTHGCXKQ-ZDUSSCGKSA-N 1 1 313.398 -1.387 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CCCO)C3)C2)C1 ZINC001053202509 678595504 /nfs/dbraw/zinc/59/55/04/678595504.db2.gz VPJWYKQTHGCXKQ-ZDUSSCGKSA-N 1 1 313.398 -1.387 20 0 DAADMO C[C@H](O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202951 678595574 /nfs/dbraw/zinc/59/55/74/678595574.db2.gz NABUYFQSFUGRSY-STQMWFEESA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@H](O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202951 678595577 /nfs/dbraw/zinc/59/55/77/678595577.db2.gz NABUYFQSFUGRSY-STQMWFEESA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@H](O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202950 678595684 /nfs/dbraw/zinc/59/56/84/678595684.db2.gz NABUYFQSFUGRSY-QWHCGFSZSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@H](O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202950 678595687 /nfs/dbraw/zinc/59/56/87/678595687.db2.gz NABUYFQSFUGRSY-QWHCGFSZSA-N 1 1 313.398 -1.389 20 0 DAADMO O=C(Cn1ncnn1)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053258217 678597297 /nfs/dbraw/zinc/59/72/97/678597297.db2.gz YBNNXENXDRWOTE-LBPRGKRZSA-N 1 1 322.369 -1.377 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC2(CN([C@@H](C)C(N)=O)C2)C1 ZINC001053342900 678601668 /nfs/dbraw/zinc/60/16/68/678601668.db2.gz PQIXAJIPUZUJRR-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053402255 678603129 /nfs/dbraw/zinc/60/31/29/678603129.db2.gz ITNQPMQAWGTQTP-VXGBXAGGSA-N 1 1 324.381 -1.383 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506541 678606777 /nfs/dbraw/zinc/60/67/77/678606777.db2.gz JTIGEHZNKSYEQF-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC2(CN([C@@H](C)C(N)=O)C2)C1 ZINC001053532381 678607896 /nfs/dbraw/zinc/60/78/96/678607896.db2.gz KGJMPLLOGLGFQI-NSHDSACASA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530843 678607904 /nfs/dbraw/zinc/60/79/04/678607904.db2.gz HWOWXYSXQXNWBF-VXGBXAGGSA-N 1 1 310.398 -1.275 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053527661 678607916 /nfs/dbraw/zinc/60/79/16/678607916.db2.gz WQKGPAASRWCNDM-UHFFFAOYSA-N 1 1 322.365 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586856 678608811 /nfs/dbraw/zinc/60/88/11/678608811.db2.gz YLFWTWCZVGHVKI-QWHCGFSZSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586856 678608817 /nfs/dbraw/zinc/60/88/17/678608817.db2.gz YLFWTWCZVGHVKI-QWHCGFSZSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 ZINC001053583265 678608916 /nfs/dbraw/zinc/60/89/16/678608916.db2.gz WVJLEQXYDNUPJP-NWDGAFQWSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586855 678609192 /nfs/dbraw/zinc/60/91/92/678609192.db2.gz YLFWTWCZVGHVKI-OLZOCXBDSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586855 678609193 /nfs/dbraw/zinc/60/91/93/678609193.db2.gz YLFWTWCZVGHVKI-OLZOCXBDSA-N 1 1 313.398 -1.341 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)n1 ZINC001053646867 678610009 /nfs/dbraw/zinc/61/00/09/678610009.db2.gz GUMXXZWZLOAURA-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(C)n1)O2 ZINC001053646922 678610332 /nfs/dbraw/zinc/61/03/32/678610332.db2.gz IAOZMBHAQXUFIF-NXEZZACHSA-N 1 1 310.358 -1.446 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CNC(=O)N1 ZINC001053655386 678610649 /nfs/dbraw/zinc/61/06/49/678610649.db2.gz KLABMENNFHCZOV-MNOVXSKESA-N 1 1 312.370 -1.600 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CNC(=O)N1 ZINC001053655385 678610668 /nfs/dbraw/zinc/61/06/68/678610668.db2.gz KLABMENNFHCZOV-GHMZBOCLSA-N 1 1 312.370 -1.600 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CNC(=O)N1 ZINC001053655388 678610726 /nfs/dbraw/zinc/61/07/26/678610726.db2.gz KLABMENNFHCZOV-WDEREUQCSA-N 1 1 312.370 -1.600 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053846389 678617417 /nfs/dbraw/zinc/61/74/17/678617417.db2.gz DGLMAZSPXGJJLN-RYUDHWBXSA-N 1 1 310.398 -1.085 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053891326 678620356 /nfs/dbraw/zinc/62/03/56/678620356.db2.gz SCYXWSWSFWJHGM-GFCCVEGCSA-N 1 1 310.398 -1.214 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053890140 678620553 /nfs/dbraw/zinc/62/05/53/678620553.db2.gz BHUJEORSENWTQU-LBPRGKRZSA-N 1 1 310.398 -1.212 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001053896756 678621057 /nfs/dbraw/zinc/62/10/57/678621057.db2.gz CZNTWVTYLSIIMH-MNOVXSKESA-N 1 1 322.369 -1.180 20 0 DAADMO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001053911949 678622111 /nfs/dbraw/zinc/62/21/11/678622111.db2.gz QLLJTTZDFIFCJT-QWRGUYRKSA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053924749 678623495 /nfs/dbraw/zinc/62/34/95/678623495.db2.gz BUIBHJZCMHTUNA-VXGBXAGGSA-N 1 1 310.398 -1.227 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053982975 678626158 /nfs/dbraw/zinc/62/61/58/678626158.db2.gz SLJQKBJQBFVJET-NEPJUHHUSA-N 1 1 310.398 -1.227 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053982977 678626345 /nfs/dbraw/zinc/62/63/45/678626345.db2.gz SLJQKBJQBFVJET-RYUDHWBXSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001054002672 678627320 /nfs/dbraw/zinc/62/73/20/678627320.db2.gz DPHNXVQQFPNLCZ-LLVKDONJSA-N 1 1 322.365 -1.092 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054002886 678627379 /nfs/dbraw/zinc/62/73/79/678627379.db2.gz KHEGJMKLPRTOMZ-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007961 678627393 /nfs/dbraw/zinc/62/73/93/678627393.db2.gz PKFZDBXDDWXBGE-RYUDHWBXSA-N 1 1 310.398 -1.356 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)CO2 ZINC001054017107 678627929 /nfs/dbraw/zinc/62/79/29/678627929.db2.gz RSOMPHYOWXNBRW-SNVBAGLBSA-N 1 1 322.369 -1.254 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014363 678628053 /nfs/dbraw/zinc/62/80/53/678628053.db2.gz MYKDRJCLYIUKIK-STQMWFEESA-N 1 1 313.398 -1.341 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014363 678628055 /nfs/dbraw/zinc/62/80/55/678628055.db2.gz MYKDRJCLYIUKIK-STQMWFEESA-N 1 1 313.398 -1.341 20 0 DAADMO NC(=O)C(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054188093 678629383 /nfs/dbraw/zinc/62/93/83/678629383.db2.gz GSQGGRLHNKRHBS-MEBBXXQBSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186774 678629433 /nfs/dbraw/zinc/62/94/33/678629433.db2.gz DPZPLGWDESMXLO-QMTHXVAHSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C(=O)N1CCC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001054188002 678629500 /nfs/dbraw/zinc/62/95/00/678629500.db2.gz DYHQWGLWWWIENL-OAHLLOKOSA-N 1 1 323.397 -1.189 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001054365474 678629901 /nfs/dbraw/zinc/62/99/01/678629901.db2.gz HHIQJMZRNFYOAZ-MNOVXSKESA-N 1 1 319.373 -1.079 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054214990 678629941 /nfs/dbraw/zinc/62/99/41/678629941.db2.gz JFFOYSCZSRFWRI-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054365919 678629985 /nfs/dbraw/zinc/62/99/85/678629985.db2.gz JDIGCRLWSOLOGF-ONGXEEELSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054365916 678630110 /nfs/dbraw/zinc/63/01/10/678630110.db2.gz JDIGCRLWSOLOGF-GXSJLCMTSA-N 1 1 305.346 -1.562 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054236143 678630175 /nfs/dbraw/zinc/63/01/75/678630175.db2.gz DTCUHRJVDYHGIC-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054367221 678630676 /nfs/dbraw/zinc/63/06/76/678630676.db2.gz PDJUAISCSDYVCE-DTWKUNHWSA-N 1 1 306.334 -2.167 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001054366688 678630777 /nfs/dbraw/zinc/63/07/77/678630777.db2.gz MJKGDLCWYDUXEZ-ZYHUDNBSSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054496736 678631436 /nfs/dbraw/zinc/63/14/36/678631436.db2.gz MAWUTESYNBFVGO-PSASIEDQSA-N 1 1 307.358 -1.180 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054460298 678631522 /nfs/dbraw/zinc/63/15/22/678631522.db2.gz LGKDNEWAOQCHID-DTWKUNHWSA-N 1 1 316.387 -1.809 20 0 DAADMO C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054491973 678631628 /nfs/dbraw/zinc/63/16/28/678631628.db2.gz DWLXKGSOLLKHDM-DTWKUNHWSA-N 1 1 317.357 -1.167 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001054496750 678631674 /nfs/dbraw/zinc/63/16/74/678631674.db2.gz MAWUTESYNBFVGO-WPRPVWTQSA-N 1 1 307.358 -1.180 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054583045 678631996 /nfs/dbraw/zinc/63/19/96/678631996.db2.gz USITWAVTRRLPRH-BDAKNGLRSA-N 1 1 321.345 -1.856 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001054580369 678632272 /nfs/dbraw/zinc/63/22/72/678632272.db2.gz MCXYGYPJWDLRLE-VHSXEESVSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054595666 678632687 /nfs/dbraw/zinc/63/26/87/678632687.db2.gz DCQSRSZVAZGGJU-ONGXEEELSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054604148 678632784 /nfs/dbraw/zinc/63/27/84/678632784.db2.gz YZIVDWCCZKBGPX-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054588926 678632789 /nfs/dbraw/zinc/63/27/89/678632789.db2.gz UUPCRSPQMSVPQZ-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054638828 678633228 /nfs/dbraw/zinc/63/32/28/678633228.db2.gz XQZJJBJBXCBROG-BDAKNGLRSA-N 1 1 305.346 -1.411 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)n1 ZINC001054646450 678633252 /nfs/dbraw/zinc/63/32/52/678633252.db2.gz BOGOHZNWHQHQSK-JQWIXIFHSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054646771 678633263 /nfs/dbraw/zinc/63/32/63/678633263.db2.gz DDPKWXCKHMDSQH-MWLCHTKSSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001054646770 678633309 /nfs/dbraw/zinc/63/33/09/678633309.db2.gz DDPKWXCKHMDSQH-KOLCDFICSA-N 1 1 305.346 -1.562 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001054634821 678633487 /nfs/dbraw/zinc/63/34/87/678633487.db2.gz LEXCSPWDVOXRCR-WCBMZHEXSA-N 1 1 319.373 -1.184 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)[nH]1 ZINC001054651589 678634013 /nfs/dbraw/zinc/63/40/13/678634013.db2.gz ZBOKKMLTKIVGAD-SCZZXKLOSA-N 1 1 305.346 -1.264 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)[nH]1 ZINC001054651587 678634093 /nfs/dbraw/zinc/63/40/93/678634093.db2.gz ZBOKKMLTKIVGAD-PSASIEDQSA-N 1 1 305.346 -1.264 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)nn1 ZINC001054651286 678634256 /nfs/dbraw/zinc/63/42/56/678634256.db2.gz WNVZNXDRRTYUCT-CMPLNLGQSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054767901 678634654 /nfs/dbraw/zinc/63/46/54/678634654.db2.gz RZIZLGYXVLHSLV-WPRPVWTQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054777355 678634825 /nfs/dbraw/zinc/63/48/25/678634825.db2.gz HFKBGZBOALOKLE-PSASIEDQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054823303 678635312 /nfs/dbraw/zinc/63/53/12/678635312.db2.gz KLYKWWMDJGMQPG-KOLCDFICSA-N 1 1 321.341 -1.399 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001054823302 678635363 /nfs/dbraw/zinc/63/53/63/678635363.db2.gz KLYKWWMDJGMQPG-GXSJLCMTSA-N 1 1 321.341 -1.399 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054980200 678636799 /nfs/dbraw/zinc/63/67/99/678636799.db2.gz BICHUTUYTYWZBW-IUCAKERBSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054980830 678636895 /nfs/dbraw/zinc/63/68/95/678636895.db2.gz JDVRVZHMOVWUKP-IUCAKERBSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054981970 678637081 /nfs/dbraw/zinc/63/70/81/678637081.db2.gz QSRMFNKMZRHBTO-WCBMZHEXSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001055022234 678637774 /nfs/dbraw/zinc/63/77/74/678637774.db2.gz BGRKNZVCWHNNMD-DTWKUNHWSA-N 1 1 308.342 -1.770 20 0 DAADMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001055018574 678637785 /nfs/dbraw/zinc/63/77/85/678637785.db2.gz UQAQRCXHTLJSLW-PSASIEDQSA-N 1 1 318.341 -1.456 20 0 DAADMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001055018575 678637790 /nfs/dbraw/zinc/63/77/90/678637790.db2.gz UQAQRCXHTLJSLW-SCZZXKLOSA-N 1 1 318.341 -1.456 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055134783 678638753 /nfs/dbraw/zinc/63/87/53/678638753.db2.gz WLKJHYRCZOOSOT-MELADBBJSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055546912 678641602 /nfs/dbraw/zinc/64/16/02/678641602.db2.gz MEUTUOXTSIBJLJ-UHFFFAOYSA-N 1 1 323.357 -2.010 20 0 DAADMO COCC(=O)NC1CC[NH+](CCNC(=O)c2cn(C)nn2)CC1 ZINC001055570062 678641935 /nfs/dbraw/zinc/64/19/35/678641935.db2.gz DWDLUAUECVTHGI-UHFFFAOYSA-N 1 1 324.385 -1.228 20 0 DAADMO Cn1ncc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)n1 ZINC001055600431 678641951 /nfs/dbraw/zinc/64/19/51/678641951.db2.gz WFLHYFAOAKWIPY-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO Cc1ncoc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055554523 678642025 /nfs/dbraw/zinc/64/20/25/678642025.db2.gz MCZCELLUIMDCNY-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO Cn1cnc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)n1 ZINC001055570992 678642031 /nfs/dbraw/zinc/64/20/31/678642031.db2.gz TXQPKQPXOWQLHR-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO COCC(=O)NC1CC[NH+](CCNC(=O)c2cnn(C)n2)CC1 ZINC001055599448 678642220 /nfs/dbraw/zinc/64/22/20/678642220.db2.gz AVOGTYJJEVKSHM-UHFFFAOYSA-N 1 1 324.385 -1.228 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001055626667 678642761 /nfs/dbraw/zinc/64/27/61/678642761.db2.gz BLFIPVCWQDYRKV-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001055627260 678642872 /nfs/dbraw/zinc/64/28/72/678642872.db2.gz NLJGODNGYDVDBF-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO CC(F)(F)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627577 678642884 /nfs/dbraw/zinc/64/28/84/678642884.db2.gz RTLMICHSEPRMJT-UHFFFAOYSA-N 1 1 306.313 -1.176 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2ccon2)CC1 ZINC001055627659 678642892 /nfs/dbraw/zinc/64/28/92/678642892.db2.gz VEIDUSOGHGUQTM-UHFFFAOYSA-N 1 1 323.353 -1.601 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)C2=COCCC2)CC1 ZINC001055626716 678642933 /nfs/dbraw/zinc/64/29/33/678642933.db2.gz DCKMLDVGKOMRNZ-UHFFFAOYSA-N 1 1 324.381 -1.137 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001055626684 678642940 /nfs/dbraw/zinc/64/29/40/678642940.db2.gz CETUMTUNLZPNHS-UHFFFAOYSA-N 1 1 324.345 -3.145 20 0 DAADMO CCCOCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627347 678642984 /nfs/dbraw/zinc/64/29/84/678642984.db2.gz OKAMUUIQIXHSEO-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC001055626942 678643075 /nfs/dbraw/zinc/64/30/75/678643075.db2.gz IJLJMDBSNVZMQY-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001055627876 678643090 /nfs/dbraw/zinc/64/30/90/678643090.db2.gz XGFJDZAGKWYIPL-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO CC(C)(O)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629296 678643570 /nfs/dbraw/zinc/64/35/70/678643570.db2.gz UGHGADHAEBKAMS-UHFFFAOYSA-N 1 1 314.386 -1.671 20 0 DAADMO COCC(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055648710 678643639 /nfs/dbraw/zinc/64/36/39/678643639.db2.gz JMCVUCVDCLVJDY-UHFFFAOYSA-N 1 1 324.385 -1.310 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001055629593 678643808 /nfs/dbraw/zinc/64/38/08/678643808.db2.gz FBKYNFZGOACPTA-GDNZZTSVSA-N 1 1 324.381 -1.939 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)c1 ZINC001055629107 678643844 /nfs/dbraw/zinc/64/38/44/678643844.db2.gz OSENWYXLOFIJIK-UHFFFAOYSA-N 1 1 322.369 -1.784 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001055629735 678643926 /nfs/dbraw/zinc/64/39/26/678643926.db2.gz IRCYXKQCIKFJKD-UHFFFAOYSA-N 1 1 323.353 -1.601 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055839102 678648965 /nfs/dbraw/zinc/64/89/65/678648965.db2.gz ZVMCPVHADBPENJ-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055952751 678652414 /nfs/dbraw/zinc/65/24/14/678652414.db2.gz KRTDLDDZMKOMLC-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001055953890 678652431 /nfs/dbraw/zinc/65/24/31/678652431.db2.gz KHTUNYBFQGNWTQ-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001055953889 678652470 /nfs/dbraw/zinc/65/24/70/678652470.db2.gz KHTUNYBFQGNWTQ-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001055953891 678652684 /nfs/dbraw/zinc/65/26/84/678652684.db2.gz KHTUNYBFQGNWTQ-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087394 678656534 /nfs/dbraw/zinc/65/65/34/678656534.db2.gz AGVMHYNJNKPYJD-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087874 678656918 /nfs/dbraw/zinc/65/69/18/678656918.db2.gz MEHAZECKMARJLI-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056088132 678657041 /nfs/dbraw/zinc/65/70/41/678657041.db2.gz AZBIOYPGGWMRRA-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056088131 678657145 /nfs/dbraw/zinc/65/71/45/678657145.db2.gz AZBIOYPGGWMRRA-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056090195 678658177 /nfs/dbraw/zinc/65/81/77/678658177.db2.gz YWNHWDZXZZOHPF-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(F)F)C1 ZINC001056782304 678667563 /nfs/dbraw/zinc/66/75/63/678667563.db2.gz NDJYSTJBSJEDTP-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(F)F)C1 ZINC001056782304 678667565 /nfs/dbraw/zinc/66/75/65/678667565.db2.gz NDJYSTJBSJEDTP-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001056790220 678668767 /nfs/dbraw/zinc/66/87/67/678668767.db2.gz TYQBTTSLACFFST-NWDGAFQWSA-N 1 1 301.387 -1.232 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)COC)C1 ZINC001056790895 678668789 /nfs/dbraw/zinc/66/87/89/678668789.db2.gz CRRISRKZPSFZOX-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)COC)C1 ZINC001056790895 678668790 /nfs/dbraw/zinc/66/87/90/678668790.db2.gz CRRISRKZPSFZOX-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000114508 678670805 /nfs/dbraw/zinc/67/08/05/678670805.db2.gz CHMMQCDTUUYCPN-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cnccn2)C1 ZINC001056835035 678673075 /nfs/dbraw/zinc/67/30/75/678673075.db2.gz GMQVOCFZOIWXQL-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO CSCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056899621 678676292 /nfs/dbraw/zinc/67/62/92/678676292.db2.gz DAFYMXZIQZWYGB-LLVKDONJSA-N 1 1 319.427 -1.383 20 0 DAADMO CSCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056899621 678676295 /nfs/dbraw/zinc/67/62/95/678676295.db2.gz DAFYMXZIQZWYGB-LLVKDONJSA-N 1 1 319.427 -1.383 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)c2ccc[nH]2)C1 ZINC001056950573 678681809 /nfs/dbraw/zinc/68/18/09/678681809.db2.gz ZDRCUSATLUQXIA-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)c2ccc[nH]2)C1 ZINC001056950573 678681811 /nfs/dbraw/zinc/68/18/11/678681811.db2.gz ZDRCUSATLUQXIA-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1cccn1 ZINC001056963301 678682090 /nfs/dbraw/zinc/68/20/90/678682090.db2.gz IZRVYIIRRVAJFX-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001000788555 678682360 /nfs/dbraw/zinc/68/23/60/678682360.db2.gz SSJAUFYXLZJWFR-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001000788555 678682361 /nfs/dbraw/zinc/68/23/61/678682361.db2.gz SSJAUFYXLZJWFR-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO CC(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057000203 678683326 /nfs/dbraw/zinc/68/33/26/678683326.db2.gz KYJQXUNALVGZKQ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057000203 678683332 /nfs/dbraw/zinc/68/33/32/678683332.db2.gz KYJQXUNALVGZKQ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000884780 678683451 /nfs/dbraw/zinc/68/34/51/678683451.db2.gz ZQOKKZLYKRAPHO-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000884780 678683455 /nfs/dbraw/zinc/68/34/55/678683455.db2.gz ZQOKKZLYKRAPHO-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)C1 ZINC001057076800 678689023 /nfs/dbraw/zinc/68/90/23/678689023.db2.gz PDVUBXNTTVQNEO-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057111722 678690681 /nfs/dbraw/zinc/69/06/81/678690681.db2.gz UUYKKJJTQGXGMY-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057209019 678698937 /nfs/dbraw/zinc/69/89/37/678698937.db2.gz GYXQCSIUICDMLM-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001057209294 678699029 /nfs/dbraw/zinc/69/90/29/678699029.db2.gz MLCSTDFUIUEZFH-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1cccn1 ZINC001057209443 678699259 /nfs/dbraw/zinc/69/92/59/678699259.db2.gz OXWXHRMQDUYUGV-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1c[nH]cn1 ZINC001057213234 678699742 /nfs/dbraw/zinc/69/97/42/678699742.db2.gz GBZLWDJPYIIKBJ-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001057212409 678699866 /nfs/dbraw/zinc/69/98/66/678699866.db2.gz NOULXGMBACUNKV-GFCCVEGCSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001057211855 678699903 /nfs/dbraw/zinc/69/99/03/678699903.db2.gz FCIHBALMGQWOOM-LLVKDONJSA-N 1 1 311.342 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026373 678701193 /nfs/dbraw/zinc/70/11/93/678701193.db2.gz CBJOMVCNZFSHDF-GARJFASQSA-N 1 1 322.369 -1.220 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050003661 678701239 /nfs/dbraw/zinc/70/12/39/678701239.db2.gz MVISENFGIWCJNN-GARJFASQSA-N 1 1 322.365 -1.410 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057242815 678702836 /nfs/dbraw/zinc/70/28/36/678702836.db2.gz JFSUUXZYEBPWJD-UHFFFAOYSA-N 1 1 316.402 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001050039004 678703308 /nfs/dbraw/zinc/70/33/08/678703308.db2.gz WPIXGHNHXVLUTC-HBNTYKKESA-N 1 1 310.354 -1.236 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001050039004 678703310 /nfs/dbraw/zinc/70/33/10/678703310.db2.gz WPIXGHNHXVLUTC-HBNTYKKESA-N 1 1 310.354 -1.236 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057247641 678704263 /nfs/dbraw/zinc/70/42/63/678704263.db2.gz DWSMQVLGAKFXHB-UHFFFAOYSA-N 1 1 302.375 -1.861 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050066098 678705415 /nfs/dbraw/zinc/70/54/15/678705415.db2.gz DSQQUVNUDUSAPY-NOOOWODRSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001050081850 678705581 /nfs/dbraw/zinc/70/55/81/678705581.db2.gz VFEGYBBYCARJOX-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC001050081850 678705583 /nfs/dbraw/zinc/70/55/83/678705583.db2.gz VFEGYBBYCARJOX-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263107 678706031 /nfs/dbraw/zinc/70/60/31/678706031.db2.gz DXEHFVCSZHJSLI-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263107 678706034 /nfs/dbraw/zinc/70/60/34/678706034.db2.gz DXEHFVCSZHJSLI-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057262910 678706257 /nfs/dbraw/zinc/70/62/57/678706257.db2.gz AIPCGZBBBKTBQD-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057262910 678706261 /nfs/dbraw/zinc/70/62/61/678706261.db2.gz AIPCGZBBBKTBQD-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263106 678706295 /nfs/dbraw/zinc/70/62/95/678706295.db2.gz DXEHFVCSZHJSLI-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263106 678706299 /nfs/dbraw/zinc/70/62/99/678706299.db2.gz DXEHFVCSZHJSLI-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ncc1=O ZINC001050099980 678706394 /nfs/dbraw/zinc/70/63/94/678706394.db2.gz PYSQDFOVFDIAPX-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ncc1=O ZINC001050099980 678706396 /nfs/dbraw/zinc/70/63/96/678706396.db2.gz PYSQDFOVFDIAPX-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050109847 678706847 /nfs/dbraw/zinc/70/68/47/678706847.db2.gz CXFKTFHIIFJIOW-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050109847 678706854 /nfs/dbraw/zinc/70/68/54/678706854.db2.gz CXFKTFHIIFJIOW-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC001050116621 678706878 /nfs/dbraw/zinc/70/68/78/678706878.db2.gz XALBFMLAIDMCQL-HBNTYKKESA-N 1 1 319.369 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC001050116618 678707031 /nfs/dbraw/zinc/70/70/31/678707031.db2.gz XALBFMLAIDMCQL-GARJFASQSA-N 1 1 319.369 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2ccc[nH]2)C1 ZINC001057264047 678707308 /nfs/dbraw/zinc/70/73/08/678707308.db2.gz SNKVDGBQAYUILC-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2ccc[nH]2)C1 ZINC001057264047 678707311 /nfs/dbraw/zinc/70/73/11/678707311.db2.gz SNKVDGBQAYUILC-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050132040 678707518 /nfs/dbraw/zinc/70/75/18/678707518.db2.gz ZRQAXFWKAFWQPI-IVZWLZJFSA-N 1 1 308.338 -1.800 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050132042 678707793 /nfs/dbraw/zinc/70/77/93/678707793.db2.gz ZRQAXFWKAFWQPI-LPEHRKFASA-N 1 1 308.338 -1.800 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152280 678707909 /nfs/dbraw/zinc/70/79/09/678707909.db2.gz KPIBUDSZHAUNSI-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152280 678707912 /nfs/dbraw/zinc/70/79/12/678707912.db2.gz KPIBUDSZHAUNSI-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001050173229 678708513 /nfs/dbraw/zinc/70/85/13/678708513.db2.gz ZJQOHKXPLPHMAL-GRYCIOLGSA-N 1 1 321.385 -1.140 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220100 678708855 /nfs/dbraw/zinc/70/88/55/678708855.db2.gz JIEVUKCACLKQMM-HBNTYKKESA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220100 678708858 /nfs/dbraw/zinc/70/88/58/678708858.db2.gz JIEVUKCACLKQMM-HBNTYKKESA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220099 678708947 /nfs/dbraw/zinc/70/89/47/678708947.db2.gz JIEVUKCACLKQMM-GARJFASQSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001050220099 678708952 /nfs/dbraw/zinc/70/89/52/678708952.db2.gz JIEVUKCACLKQMM-GARJFASQSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050220351 678709221 /nfs/dbraw/zinc/70/92/21/678709221.db2.gz NGQYJYYJIDXQLR-QJPTWQEYSA-N 1 1 309.366 -1.046 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CC(=O)NC ZINC001057411001 678715060 /nfs/dbraw/zinc/71/50/60/678715060.db2.gz AMQNCORWSOUEHW-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001057412914 678715448 /nfs/dbraw/zinc/71/54/48/678715448.db2.gz ABCNQZKJOTVIBV-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057416477 678716336 /nfs/dbraw/zinc/71/63/36/678716336.db2.gz WJKQCHSFHPFFOJ-NSHDSACASA-N 1 1 314.386 -1.989 20 0 DAADMO CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057416475 678716670 /nfs/dbraw/zinc/71/66/70/678716670.db2.gz WJKQCHSFHPFFOJ-LLVKDONJSA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001057473207 678721061 /nfs/dbraw/zinc/72/10/61/678721061.db2.gz ISLJIBDQDKALER-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001057496720 678724465 /nfs/dbraw/zinc/72/44/65/678724465.db2.gz YKMJVALFRBPWEP-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001057496719 678724680 /nfs/dbraw/zinc/72/46/80/678724680.db2.gz YKMJVALFRBPWEP-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057587201 678730399 /nfs/dbraw/zinc/73/03/99/678730399.db2.gz ADWPLTXJFGOGKS-NSHDSACASA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848396 678732894 /nfs/dbraw/zinc/73/28/94/678732894.db2.gz HYAZYNPRARSJTK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001050848703 678733009 /nfs/dbraw/zinc/73/30/09/678733009.db2.gz NJPASZGZGWVZNB-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCOC2)C1 ZINC001057631860 678733409 /nfs/dbraw/zinc/73/34/09/678733409.db2.gz FEFHZJWNGDVJQF-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632269 678733419 /nfs/dbraw/zinc/73/34/19/678733419.db2.gz LEWREUHKUBMJHI-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCOC2)C1 ZINC001057631858 678733433 /nfs/dbraw/zinc/73/34/33/678733433.db2.gz FEFHZJWNGDVJQF-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cnccn2)C1 ZINC001057631866 678733519 /nfs/dbraw/zinc/73/35/19/678733519.db2.gz FHSNLFVOSJNFRS-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ccncn2)C1 ZINC001057633605 678733545 /nfs/dbraw/zinc/73/35/45/678733545.db2.gz OKRIZYSOAJICTB-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO Cn1nccc1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632436 678733787 /nfs/dbraw/zinc/73/37/87/678733787.db2.gz OPYWIJQJOJBKSX-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO Cn1ccc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001057639436 678734073 /nfs/dbraw/zinc/73/40/73/678734073.db2.gz AYTGPBKSEKLFAX-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001057634124 678734082 /nfs/dbraw/zinc/73/40/82/678734082.db2.gz YPHZXLZRRGRNPC-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001057634124 678734084 /nfs/dbraw/zinc/73/40/84/678734084.db2.gz YPHZXLZRRGRNPC-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001057634124 678734089 /nfs/dbraw/zinc/73/40/89/678734089.db2.gz YPHZXLZRRGRNPC-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001057634124 678734093 /nfs/dbraw/zinc/73/40/93/678734093.db2.gz YPHZXLZRRGRNPC-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001057634124 678734097 /nfs/dbraw/zinc/73/40/97/678734097.db2.gz YPHZXLZRRGRNPC-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO COCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001050857190 678734109 /nfs/dbraw/zinc/73/41/09/678734109.db2.gz UATJOSUFTZTVMR-QWHCGFSZSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001050857190 678734111 /nfs/dbraw/zinc/73/41/11/678734111.db2.gz UATJOSUFTZTVMR-QWHCGFSZSA-N 1 1 301.387 -1.220 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057636561 678734411 /nfs/dbraw/zinc/73/44/11/678734411.db2.gz UHVHGVCFOIYVEK-LLVKDONJSA-N 1 1 324.385 -1.384 20 0 DAADMO COCCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001050857191 678734450 /nfs/dbraw/zinc/73/44/50/678734450.db2.gz UATJOSUFTZTVMR-STQMWFEESA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001050857191 678734451 /nfs/dbraw/zinc/73/44/51/678734451.db2.gz UATJOSUFTZTVMR-STQMWFEESA-N 1 1 301.387 -1.220 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057636562 678734483 /nfs/dbraw/zinc/73/44/83/678734483.db2.gz UHVHGVCFOIYVEK-NSHDSACASA-N 1 1 324.385 -1.384 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001057635524 678734492 /nfs/dbraw/zinc/73/44/92/678734492.db2.gz FQFXWNURUBTFKX-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2nnc[nH]2)C1 ZINC001057635524 678734494 /nfs/dbraw/zinc/73/44/94/678734494.db2.gz FQFXWNURUBTFKX-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2nnc[nH]2)C1 ZINC001057635524 678734496 /nfs/dbraw/zinc/73/44/96/678734496.db2.gz FQFXWNURUBTFKX-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cn2nccn2)C1 ZINC001057635698 678734562 /nfs/dbraw/zinc/73/45/62/678734562.db2.gz HIYABRZFHPFROI-GFCCVEGCSA-N 1 1 324.385 -1.833 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001057635525 678734617 /nfs/dbraw/zinc/73/46/17/678734617.db2.gz FQFXWNURUBTFKX-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2nnc[nH]2)C1 ZINC001057635525 678734621 /nfs/dbraw/zinc/73/46/21/678734621.db2.gz FQFXWNURUBTFKX-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2nnc[nH]2)C1 ZINC001057635525 678734625 /nfs/dbraw/zinc/73/46/25/678734625.db2.gz FQFXWNURUBTFKX-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050922577 678737621 /nfs/dbraw/zinc/73/76/21/678737621.db2.gz DEVVBYUOHZZXIK-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057698686 678740666 /nfs/dbraw/zinc/74/06/66/678740666.db2.gz JCADAPZKYAOBBE-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057702149 678741319 /nfs/dbraw/zinc/74/13/19/678741319.db2.gz JLADEAFGYDLKHS-GFCCVEGCSA-N 1 1 324.385 -1.833 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051082325 678745390 /nfs/dbraw/zinc/74/53/90/678745390.db2.gz YQEJUMGFJJYGFY-KBPBESRZSA-N 1 1 315.414 -1.095 20 0 DAADMO NC(=O)CN1CCOC[C@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001051224972 678750382 /nfs/dbraw/zinc/75/03/82/678750382.db2.gz FQKSRSFPGXVEHZ-DOMZBBRYSA-N 1 1 310.398 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2CC(=O)N2CCC2)C1 ZINC001051241341 678751053 /nfs/dbraw/zinc/75/10/53/678751053.db2.gz LPMMMPLHKJERCN-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051251591 678751894 /nfs/dbraw/zinc/75/18/94/678751894.db2.gz PZLQHINOPTVDRA-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051251591 678751897 /nfs/dbraw/zinc/75/18/97/678751897.db2.gz PZLQHINOPTVDRA-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001051250011 678751986 /nfs/dbraw/zinc/75/19/86/678751986.db2.gz IOXWBZKNEDKNHY-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001051250011 678751992 /nfs/dbraw/zinc/75/19/92/678751992.db2.gz IOXWBZKNEDKNHY-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001051250059 678752180 /nfs/dbraw/zinc/75/21/80/678752180.db2.gz JFNBICCDISPVQL-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001051250059 678752184 /nfs/dbraw/zinc/75/21/84/678752184.db2.gz JFNBICCDISPVQL-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2nncs2)C1 ZINC001051421794 678754697 /nfs/dbraw/zinc/75/46/97/678754697.db2.gz SSMUOKMXRJHDFC-SECBINFHSA-N 1 1 324.370 -1.458 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420539 678754842 /nfs/dbraw/zinc/75/48/42/678754842.db2.gz IODSYVAEYXXULW-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)nn1 ZINC001051421419 678754904 /nfs/dbraw/zinc/75/49/04/678754904.db2.gz QHBYJADFLJVREY-LLVKDONJSA-N 1 1 321.345 -2.181 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)o1 ZINC001051425640 678755426 /nfs/dbraw/zinc/75/54/26/678755426.db2.gz GDTIVQJGEJQTBF-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001051423590 678755599 /nfs/dbraw/zinc/75/55/99/678755599.db2.gz UUYFCFYWLBEPQK-GHMZBOCLSA-N 1 1 310.358 -1.294 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051456121 678756104 /nfs/dbraw/zinc/75/61/04/678756104.db2.gz VGQNVHOYLLWVSL-VHSXEESVSA-N 1 1 321.337 -1.355 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051456119 678756248 /nfs/dbraw/zinc/75/62/48/678756248.db2.gz VGQNVHOYLLWVSL-NXEZZACHSA-N 1 1 321.337 -1.355 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001051488773 678758200 /nfs/dbraw/zinc/75/82/00/678758200.db2.gz SNGHYUZXZPGYND-NEPJUHHUSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001051488775 678758260 /nfs/dbraw/zinc/75/82/60/678758260.db2.gz SNGHYUZXZPGYND-RYUDHWBXSA-N 1 1 324.385 -1.046 20 0 DAADMO CC[C@@H](OC)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051485058 678758300 /nfs/dbraw/zinc/75/83/00/678758300.db2.gz NPCMLQUYPJAJEC-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001051480561 678758390 /nfs/dbraw/zinc/75/83/90/678758390.db2.gz RFBGKVKOBFSXIX-VIFPVBQESA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)nc1=O ZINC001051501929 678758989 /nfs/dbraw/zinc/75/89/89/678758989.db2.gz LWPRDEVTTFTFQS-MRVPVSSYSA-N 1 1 312.330 -2.699 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001051493464 678759020 /nfs/dbraw/zinc/75/90/20/678759020.db2.gz LACRZTJKTADWCS-WDEREUQCSA-N 1 1 324.385 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001051489609 678759273 /nfs/dbraw/zinc/75/92/73/678759273.db2.gz IHJAXONBSDHNJG-LLVKDONJSA-N 1 1 321.341 -1.242 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001051505153 678759764 /nfs/dbraw/zinc/75/97/64/678759764.db2.gz MWXOGYJSUOZUIO-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)nc1 ZINC001051506138 678760077 /nfs/dbraw/zinc/76/00/77/678760077.db2.gz XVRMPAZVALFLTD-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1)c1nncn1C ZINC001051506199 678760306 /nfs/dbraw/zinc/76/03/06/678760306.db2.gz ZCQZATDFPSDSGC-NXEZZACHSA-N 1 1 310.358 -1.432 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)C1=O ZINC001051511310 678760698 /nfs/dbraw/zinc/76/06/98/678760698.db2.gz YSYNVFZFXNNPTF-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051565120 678761136 /nfs/dbraw/zinc/76/11/36/678761136.db2.gz QINKYBZSRGOTBM-JTQLQIEISA-N 1 1 323.313 -1.616 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001051567266 678761311 /nfs/dbraw/zinc/76/13/11/678761311.db2.gz VVNIPVWJNDGPAY-GFCCVEGCSA-N 1 1 322.369 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001051567267 678761502 /nfs/dbraw/zinc/76/15/02/678761502.db2.gz VVNIPVWJNDGPAY-LBPRGKRZSA-N 1 1 322.369 -1.126 20 0 DAADMO CO[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1)C1CC1 ZINC001051583933 678761508 /nfs/dbraw/zinc/76/15/08/678761508.db2.gz MAQGNHHLVVGFSC-WCQYABFASA-N 1 1 324.385 -1.048 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)[nH]1 ZINC001051586947 678761945 /nfs/dbraw/zinc/76/19/45/678761945.db2.gz DRQALCIGZPVUOL-VHSXEESVSA-N 1 1 324.341 -1.461 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)CCO2)nn1 ZINC001051587266 678762024 /nfs/dbraw/zinc/76/20/24/678762024.db2.gz GORZPHMSLBWORI-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051589122 678762079 /nfs/dbraw/zinc/76/20/79/678762079.db2.gz ZSNJDRUDJDARMJ-ZJUUUORDSA-N 1 1 311.298 -1.505 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051587251 678762132 /nfs/dbraw/zinc/76/21/32/678762132.db2.gz GEBXVEHPAKEFQD-WDEREUQCSA-N 1 1 321.337 -1.098 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)n1 ZINC001051588310 678762137 /nfs/dbraw/zinc/76/21/37/678762137.db2.gz PISBGBXPLFVEFK-WDEREUQCSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)n1 ZINC001051588309 678762148 /nfs/dbraw/zinc/76/21/48/678762148.db2.gz PISBGBXPLFVEFK-QWRGUYRKSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051587780 678762273 /nfs/dbraw/zinc/76/22/73/678762273.db2.gz LEEOUVLUMYRYQI-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051596344 678762549 /nfs/dbraw/zinc/76/25/49/678762549.db2.gz QJXYFTMLWNITFU-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001051594460 678762613 /nfs/dbraw/zinc/76/26/13/678762613.db2.gz KGDQIGNFIOQUBW-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cn(C)nn3)C2)n1 ZINC001051596122 678762851 /nfs/dbraw/zinc/76/28/51/678762851.db2.gz KVMRXPQGFMFOGD-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001051608752 678763584 /nfs/dbraw/zinc/76/35/84/678763584.db2.gz ITYSCKIUGSOBFC-NSHDSACASA-N 1 1 324.385 -1.168 20 0 DAADMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)no1 ZINC001051615005 678764021 /nfs/dbraw/zinc/76/40/21/678764021.db2.gz PNJSKDIDORRGKI-LBPRGKRZSA-N 1 1 321.341 -1.013 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)o1 ZINC001051615416 678764055 /nfs/dbraw/zinc/76/40/55/678764055.db2.gz UPIHKBYZDCFTCN-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)nn1 ZINC001051615706 678764181 /nfs/dbraw/zinc/76/41/81/678764181.db2.gz ZBTRSEKZNOHLAA-LLVKDONJSA-N 1 1 321.345 -2.181 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)no1 ZINC001051615004 678764195 /nfs/dbraw/zinc/76/41/95/678764195.db2.gz PNJSKDIDORRGKI-GFCCVEGCSA-N 1 1 321.341 -1.013 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)[nH]1 ZINC001051640926 678765411 /nfs/dbraw/zinc/76/54/11/678765411.db2.gz KZEDMKORVUYPKF-LLVKDONJSA-N 1 1 320.357 -1.278 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640517 678765555 /nfs/dbraw/zinc/76/55/55/678765555.db2.gz FPPCOCSSXCQXHH-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)n1 ZINC001051663782 678765897 /nfs/dbraw/zinc/76/58/97/678765897.db2.gz GJXYWPXUIMQCIX-NSHDSACASA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001051663207 678766264 /nfs/dbraw/zinc/76/62/64/678766264.db2.gz BSRNBUHJVZTLDK-JTQLQIEISA-N 1 1 324.385 -1.356 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)[nH]1 ZINC001051698537 678766624 /nfs/dbraw/zinc/76/66/24/678766624.db2.gz VWIFPMVCQVSWBF-SECBINFHSA-N 1 1 306.330 -1.138 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)nn1 ZINC001051697586 678766649 /nfs/dbraw/zinc/76/66/49/678766649.db2.gz OGKOKCBPVGEQHN-SNVBAGLBSA-N 1 1 306.330 -1.436 20 0 DAADMO C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CNC(=O)C1 ZINC001051733006 678767505 /nfs/dbraw/zinc/76/75/05/678767505.db2.gz VRIAHQUDUPNWOH-FZMZJTMJSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051703394 678767603 /nfs/dbraw/zinc/76/76/03/678767603.db2.gz XRXQRFMPOBRQSB-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051744853 678768156 /nfs/dbraw/zinc/76/81/56/678768156.db2.gz MVGHJEAGEWQAJP-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051750601 678768587 /nfs/dbraw/zinc/76/85/87/678768587.db2.gz OVDSPKIIHCOJJB-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051750305 678768659 /nfs/dbraw/zinc/76/86/59/678768659.db2.gz NDNGFZVPJJCCNK-LLVKDONJSA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051747256 678768672 /nfs/dbraw/zinc/76/86/72/678768672.db2.gz LEVWDPGQXQUXGT-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001051749622 678768812 /nfs/dbraw/zinc/76/88/12/678768812.db2.gz HEVMCYMWYBJZEH-GHMZBOCLSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051749096 678768922 /nfs/dbraw/zinc/76/89/22/678768922.db2.gz APWGWWUEPVAVGG-VHSXEESVSA-N 1 1 308.342 -1.568 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753183 678769260 /nfs/dbraw/zinc/76/92/60/678769260.db2.gz XRMCDUIWDMERRV-GHMZBOCLSA-N 1 1 323.353 -1.169 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nn1 ZINC001051752897 678769270 /nfs/dbraw/zinc/76/92/70/678769270.db2.gz RTJSPOXOKIQZAW-RYUDHWBXSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753253 678769273 /nfs/dbraw/zinc/76/92/73/678769273.db2.gz ZIMBWAYYFMORPQ-QWRGUYRKSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753065 678769440 /nfs/dbraw/zinc/76/94/40/678769440.db2.gz VUUCCDJFEXMCRY-GHMZBOCLSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)[nH]1 ZINC001051752443 678769476 /nfs/dbraw/zinc/76/94/76/678769476.db2.gz JYXPKACAECUQQW-MNOVXSKESA-N 1 1 322.369 -1.434 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774266 678770790 /nfs/dbraw/zinc/77/07/90/678770790.db2.gz VOWVZRIWBQGNBK-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)nn1 ZINC001051774462 678770872 /nfs/dbraw/zinc/77/08/72/678770872.db2.gz XXKFWDNGOVVXCH-SNVBAGLBSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051774231 678771133 /nfs/dbraw/zinc/77/11/33/678771133.db2.gz UVCLDDWJQSOQBV-QMMMGPOBSA-N 1 1 322.333 -2.636 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001051782165 678771387 /nfs/dbraw/zinc/77/13/87/678771387.db2.gz VZIZMOPGCHAAJO-VXGBXAGGSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791615 678771626 /nfs/dbraw/zinc/77/16/26/678771626.db2.gz CSHMGDMZHSPDRI-ZJUUUORDSA-N 1 1 323.357 -2.187 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)n1 ZINC001051793027 678772062 /nfs/dbraw/zinc/77/20/62/678772062.db2.gz RPXKITCLDATKCQ-QWRGUYRKSA-N 1 1 323.357 -2.187 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)[nH]1 ZINC001051793100 678772288 /nfs/dbraw/zinc/77/22/88/678772288.db2.gz SEXDUFPIUJFRDA-NXEZZACHSA-N 1 1 323.357 -1.888 20 0 DAADMO Cn1c(Cl)cnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051793447 678772343 /nfs/dbraw/zinc/77/23/43/678772343.db2.gz AQCWPCDYBXCDBG-QMMMGPOBSA-N 1 1 315.761 -1.124 20 0 DAADMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)no1 ZINC001051793251 678772429 /nfs/dbraw/zinc/77/24/29/678772429.db2.gz UJMWNOPCGXYFSJ-NWDGAFQWSA-N 1 1 323.353 -1.019 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051793000 678772447 /nfs/dbraw/zinc/77/24/47/678772447.db2.gz RMUOTESMUDIQKS-GHMZBOCLSA-N 1 1 320.353 -1.525 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1)c1nnnn1C1CC1 ZINC001051794259 678772701 /nfs/dbraw/zinc/77/27/01/678772701.db2.gz JANBAAJTIFQQHI-WCBMZHEXSA-N 1 1 323.357 -1.629 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051794253 678773023 /nfs/dbraw/zinc/77/30/23/678773023.db2.gz IYXZUDLUPIJQKB-GFCCVEGCSA-N 1 1 322.369 -1.510 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC001051795030 678773467 /nfs/dbraw/zinc/77/34/67/678773467.db2.gz YPZPLIMMZKRVLV-NSHDSACASA-N 1 1 324.385 -1.165 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)n1 ZINC001051798242 678773616 /nfs/dbraw/zinc/77/36/16/678773616.db2.gz IUXKZUYLZIKPNT-NSHDSACASA-N 1 1 322.369 -1.602 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795684 678773757 /nfs/dbraw/zinc/77/37/57/678773757.db2.gz LBQNJGIAHVRCNK-NSHDSACASA-N 1 1 324.385 -1.264 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)nn1 ZINC001051798320 678773819 /nfs/dbraw/zinc/77/38/19/678773819.db2.gz JRYFDLBXWTZSHY-LLVKDONJSA-N 1 1 322.369 -1.602 20 0 DAADMO Cn1c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)nnc1C1CC1 ZINC001051797186 678773832 /nfs/dbraw/zinc/77/38/32/678773832.db2.gz YPKHOGHQGGQWGT-SNVBAGLBSA-N 1 1 322.369 -1.505 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051799931 678774639 /nfs/dbraw/zinc/77/46/39/678774639.db2.gz XZTBQFSRHSOGEL-SNVBAGLBSA-N 1 1 323.353 -1.039 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001051843877 678776122 /nfs/dbraw/zinc/77/61/22/678776122.db2.gz QZLRNTBZQBKQFV-LLVKDONJSA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051867369 678776154 /nfs/dbraw/zinc/77/61/54/678776154.db2.gz IDEVFECOGNVGRS-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001051867558 678776453 /nfs/dbraw/zinc/77/64/53/678776453.db2.gz LTADALCTLVZLGW-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)n1 ZINC001051867410 678776497 /nfs/dbraw/zinc/77/64/97/678776497.db2.gz JDWXNZOWMLTTKE-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051873337 678776682 /nfs/dbraw/zinc/77/66/82/678776682.db2.gz VBSKNBJDSUMCLU-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)[nH]1 ZINC001051869336 678776938 /nfs/dbraw/zinc/77/69/38/678776938.db2.gz OBDQCSVJYUFYLN-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051875834 678777403 /nfs/dbraw/zinc/77/74/03/678777403.db2.gz BTRXOKGBFJCMTE-VIFPVBQESA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051875833 678777486 /nfs/dbraw/zinc/77/74/86/678777486.db2.gz BTRXOKGBFJCMTE-SECBINFHSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cnon3)CCO2)n1 ZINC001051876370 678777554 /nfs/dbraw/zinc/77/75/54/678777554.db2.gz MSFXZFNIZWCJKI-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1)c1nnnn1C ZINC001051876288 678777594 /nfs/dbraw/zinc/77/75/94/678777594.db2.gz KTSSHYVNEDEQKO-BDAKNGLRSA-N 1 1 322.329 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001051884114 678778010 /nfs/dbraw/zinc/77/80/10/678778010.db2.gz IAHPQULSXZBIJF-SNVBAGLBSA-N 1 1 320.357 -1.507 20 0 DAADMO O=C(CCn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051882540 678778026 /nfs/dbraw/zinc/77/80/26/678778026.db2.gz RBXIHJATVMUVGR-NSHDSACASA-N 1 1 322.329 -1.537 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897364 678778306 /nfs/dbraw/zinc/77/83/06/678778306.db2.gz XQYPQBOQDOSONF-SNVBAGLBSA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051923861 678778860 /nfs/dbraw/zinc/77/88/60/678778860.db2.gz ACBLJKAHZZGJEJ-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051909641 678778963 /nfs/dbraw/zinc/77/89/63/678778963.db2.gz XXEYSSRWEUWSKT-MNOVXSKESA-N 1 1 309.326 -1.335 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051909590 678778992 /nfs/dbraw/zinc/77/89/92/678778992.db2.gz XQRQHJIAPPDUNG-QWRGUYRKSA-N 1 1 323.353 -1.026 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cncn3)CCO2)[nH]1 ZINC001051924796 678779399 /nfs/dbraw/zinc/77/93/99/678779399.db2.gz VXUDLQRBAAZXPS-LLVKDONJSA-N 1 1 320.357 -1.278 20 0 DAADMO O=C(Cn1cncn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051925324 678779464 /nfs/dbraw/zinc/77/94/64/678779464.db2.gz IHWBEMRXGPTFAN-NSHDSACASA-N 1 1 307.314 -1.322 20 0 DAADMO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930239 678779899 /nfs/dbraw/zinc/77/98/99/678779899.db2.gz KIDOWLSWTHLZDC-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO O=C(CN1CCCC1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051931618 678779922 /nfs/dbraw/zinc/77/99/22/678779922.db2.gz AFQNMMYNJZCZOT-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051932240 678779963 /nfs/dbraw/zinc/77/99/63/678779963.db2.gz MCTGPEQHNXYRQQ-WDEREUQCSA-N 1 1 324.385 -1.221 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051931984 678780100 /nfs/dbraw/zinc/78/01/00/678780100.db2.gz JXSFKVXMCHMMGL-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051932239 678780296 /nfs/dbraw/zinc/78/02/96/678780296.db2.gz MCTGPEQHNXYRQQ-QWRGUYRKSA-N 1 1 324.385 -1.221 20 0 DAADMO Cc1nonc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051951310 678781211 /nfs/dbraw/zinc/78/12/11/678781211.db2.gz BUAQCWXEQLPBRU-VIFPVBQESA-N 1 1 322.329 -1.468 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001052074348 678785971 /nfs/dbraw/zinc/78/59/71/678785971.db2.gz AWQZCDBPDSCPOA-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184854 678787550 /nfs/dbraw/zinc/78/75/50/678787550.db2.gz SQSGRQDHYKDAPT-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184854 678787554 /nfs/dbraw/zinc/78/75/54/678787554.db2.gz SQSGRQDHYKDAPT-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001052184571 678787610 /nfs/dbraw/zinc/78/76/10/678787610.db2.gz MQYLUWOFIOPSPU-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052185473 678787625 /nfs/dbraw/zinc/78/76/25/678787625.db2.gz BCKYGVZCDQAWGJ-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052378340 678789190 /nfs/dbraw/zinc/78/91/90/678789190.db2.gz IJFDPDUMBITNGR-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC001052370635 678789336 /nfs/dbraw/zinc/78/93/36/678789336.db2.gz DEMGSUXIZABOHY-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC001052370635 678789337 /nfs/dbraw/zinc/78/93/37/678789337.db2.gz DEMGSUXIZABOHY-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)CC[N@H+]1C ZINC001057739968 678789418 /nfs/dbraw/zinc/78/94/18/678789418.db2.gz YEBMJQVJEDZCDT-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382506 678789965 /nfs/dbraw/zinc/78/99/65/678789965.db2.gz NEHOUIUNJFEQHB-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393997 678790018 /nfs/dbraw/zinc/79/00/18/678790018.db2.gz SXFJJAGSLYLYHY-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382670 678790260 /nfs/dbraw/zinc/79/02/60/678790260.db2.gz RERAJISOVXLXNO-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052380174 678790283 /nfs/dbraw/zinc/79/02/83/678790283.db2.gz UQCSKAHGOQSGPQ-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001052425327 678790784 /nfs/dbraw/zinc/79/07/84/678790784.db2.gz YJZGLNDYAUVDDY-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)cc1=O ZINC001052456193 678791300 /nfs/dbraw/zinc/79/13/00/678791300.db2.gz CBSKZHKJEGSFPW-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506386 678791850 /nfs/dbraw/zinc/79/18/50/678791850.db2.gz CQRPORJVASPDFK-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)ncc1=O ZINC001052576865 678792474 /nfs/dbraw/zinc/79/24/74/678792474.db2.gz UUFKDQAUYQCNRF-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052632692 678792911 /nfs/dbraw/zinc/79/29/11/678792911.db2.gz ISCREXTZCKXCHK-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](CNC(=O)C(N)=O)C1 ZINC001052640428 678792985 /nfs/dbraw/zinc/79/29/85/678792985.db2.gz HZZYIJAWYRIBRX-GXSJLCMTSA-N 1 1 307.354 -1.112 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052632691 678793011 /nfs/dbraw/zinc/79/30/11/678793011.db2.gz ISCREXTZCKXCHK-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052621804 678793098 /nfs/dbraw/zinc/79/30/98/678793098.db2.gz ISBQCHGRZCMPTO-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052621805 678793161 /nfs/dbraw/zinc/79/31/61/678793161.db2.gz ISBQCHGRZCMPTO-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001052621674 678793179 /nfs/dbraw/zinc/79/31/79/678793179.db2.gz GBTSFINAAYOTLH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057790227 678793583 /nfs/dbraw/zinc/79/35/83/678793583.db2.gz AMOBFBSXNREOKL-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)C1 ZINC001057790227 678793585 /nfs/dbraw/zinc/79/35/85/678793585.db2.gz AMOBFBSXNREOKL-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001057863286 678796569 /nfs/dbraw/zinc/79/65/69/678796569.db2.gz MBWFWUSCPBWYEC-UHFFFAOYSA-N 1 1 317.390 -2.068 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057857757 678796617 /nfs/dbraw/zinc/79/66/17/678796617.db2.gz LHMMRPUREWNIHK-PHIMTYICSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)c1cnn[nH]1)C1CC1 ZINC001057876408 678796987 /nfs/dbraw/zinc/79/69/87/678796987.db2.gz IXUUZFRBZIMMTC-GFCCVEGCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)c1cnn[nH]1)C1CC1 ZINC001057876409 678797062 /nfs/dbraw/zinc/79/70/62/678797062.db2.gz IXUUZFRBZIMMTC-LBPRGKRZSA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1CCC1 ZINC001057903307 678798361 /nfs/dbraw/zinc/79/83/61/678798361.db2.gz CYUVGVGVSOLKJO-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058158094 678809266 /nfs/dbraw/zinc/80/92/66/678809266.db2.gz PPQCFXPVPHOWHP-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1cnn[nH]1 ZINC001058163631 678809736 /nfs/dbraw/zinc/80/97/36/678809736.db2.gz QYKZMMXGBQHEGV-UHFFFAOYSA-N 1 1 322.369 -1.549 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058274716 678812430 /nfs/dbraw/zinc/81/24/30/678812430.db2.gz ARQTXALJHKTIIA-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058274716 678812433 /nfs/dbraw/zinc/81/24/33/678812433.db2.gz ARQTXALJHKTIIA-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)Cc1ncc[nH]1 ZINC001058274986 678812689 /nfs/dbraw/zinc/81/26/89/678812689.db2.gz MQGMQTNVSLPACL-UHFFFAOYSA-N 1 1 321.341 -1.370 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382604 678818626 /nfs/dbraw/zinc/81/86/26/678818626.db2.gz QBSOSWITCUURSD-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382078 678818646 /nfs/dbraw/zinc/81/86/46/678818646.db2.gz CAAVOBMCGWSWQA-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058382739 678818693 /nfs/dbraw/zinc/81/86/93/678818693.db2.gz SWAMUNFMCCQJFS-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058384250 678818871 /nfs/dbraw/zinc/81/88/71/678818871.db2.gz CBQMJKYYDRYOMZ-UHFFFAOYSA-N 1 1 310.358 -1.549 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058385056 678819185 /nfs/dbraw/zinc/81/91/85/678819185.db2.gz YUIMAVBQHZUFGH-UHFFFAOYSA-N 1 1 321.341 -1.439 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1cnn[nH]1)CO2 ZINC001068920104 678839083 /nfs/dbraw/zinc/83/90/83/678839083.db2.gz UHKCZOGVANEFSL-JTQLQIEISA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1)C1CCC1 ZINC001068905572 678839214 /nfs/dbraw/zinc/83/92/14/678839214.db2.gz LGZNMOIIOSMACM-SNVBAGLBSA-N 1 1 324.381 -1.558 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ncn[nH]1)CO2 ZINC001068951209 678839665 /nfs/dbraw/zinc/83/96/65/678839665.db2.gz KEACUTFGJADNIN-SNVBAGLBSA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1nc[nH]n1)CO2 ZINC001068951209 678839669 /nfs/dbraw/zinc/83/96/69/678839669.db2.gz KEACUTFGJADNIN-SNVBAGLBSA-N 1 1 322.369 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068992588 678840508 /nfs/dbraw/zinc/84/05/08/678840508.db2.gz LSDUTWLYVXBTHZ-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001069038434 678841635 /nfs/dbraw/zinc/84/16/35/678841635.db2.gz CXGPAXHUYKTABK-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069855261 678844048 /nfs/dbraw/zinc/84/40/48/678844048.db2.gz SMDSSPIDENCBLC-LBPRGKRZSA-N 1 1 320.397 -1.106 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cnn3c2CN(CCO)CC3)C1 ZINC001069857052 678844101 /nfs/dbraw/zinc/84/41/01/678844101.db2.gz XKYUYBCXTGZEQO-CQSZACIVSA-N 1 1 323.397 -1.362 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCc2cnn3c2CN(CCO)CC3)C1 ZINC001069857052 678844104 /nfs/dbraw/zinc/84/41/04/678844104.db2.gz XKYUYBCXTGZEQO-CQSZACIVSA-N 1 1 323.397 -1.362 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cnn2c1CN(CC(N)=O)CC2 ZINC001069855260 678844211 /nfs/dbraw/zinc/84/42/11/678844211.db2.gz SMDSSPIDENCBLC-GFCCVEGCSA-N 1 1 320.397 -1.106 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001069892449 678845000 /nfs/dbraw/zinc/84/50/00/678845000.db2.gz YKRTWKWHNGTFER-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001069892449 678845003 /nfs/dbraw/zinc/84/50/03/678845003.db2.gz YKRTWKWHNGTFER-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894670 678845168 /nfs/dbraw/zinc/84/51/68/678845168.db2.gz GBDYCGISAJTZLJ-MNOVXSKESA-N 1 1 305.346 -1.284 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001069896173 678845698 /nfs/dbraw/zinc/84/56/98/678845698.db2.gz BUNQWIIGCAJHHP-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)cnn1C ZINC001069895706 678845805 /nfs/dbraw/zinc/84/58/05/678845805.db2.gz HTVZIHFUTJHEAJ-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)cnn1C ZINC001069895706 678845809 /nfs/dbraw/zinc/84/58/09/678845809.db2.gz HTVZIHFUTJHEAJ-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001069896172 678845829 /nfs/dbraw/zinc/84/58/29/678845829.db2.gz BUNQWIIGCAJHHP-UPJWGTAASA-N 1 1 319.369 -1.103 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001069902616 678846057 /nfs/dbraw/zinc/84/60/57/678846057.db2.gz GTVZUCLKJIVDRJ-UTUOFQBUSA-N 1 1 321.385 -1.801 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069920285 678846573 /nfs/dbraw/zinc/84/65/73/678846573.db2.gz FORKONKNFBVHAW-UMNHJUIQSA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069920285 678846576 /nfs/dbraw/zinc/84/65/76/678846576.db2.gz FORKONKNFBVHAW-UMNHJUIQSA-N 1 1 320.357 -1.557 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1COC(=O)N1 ZINC001069918578 678846602 /nfs/dbraw/zinc/84/66/02/678846602.db2.gz XVFUEXHSGIMYIT-VWYCJHECSA-N 1 1 324.341 -1.890 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069918341 678846651 /nfs/dbraw/zinc/84/66/51/678846651.db2.gz LRZOOVIITNCCAM-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069918341 678846655 /nfs/dbraw/zinc/84/66/55/678846655.db2.gz LRZOOVIITNCCAM-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)nn1 ZINC001069920255 678846672 /nfs/dbraw/zinc/84/66/72/678846672.db2.gz DHOGZSPLKOTVBZ-KOLCDFICSA-N 1 1 306.330 -1.946 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)nn1 ZINC001069920255 678846675 /nfs/dbraw/zinc/84/66/75/678846675.db2.gz DHOGZSPLKOTVBZ-KOLCDFICSA-N 1 1 306.330 -1.946 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)[nH]1 ZINC001069924793 678846995 /nfs/dbraw/zinc/84/69/95/678846995.db2.gz FZKKIGBPYYNOHR-MNOVXSKESA-N 1 1 320.357 -1.719 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)[nH]1 ZINC001069924793 678846997 /nfs/dbraw/zinc/84/69/97/678846997.db2.gz FZKKIGBPYYNOHR-MNOVXSKESA-N 1 1 320.357 -1.719 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1=O ZINC001069941872 678847426 /nfs/dbraw/zinc/84/74/26/678847426.db2.gz BUJGZFHDGRXCAH-UTUOFQBUSA-N 1 1 322.369 -1.910 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1=O ZINC001069941872 678847431 /nfs/dbraw/zinc/84/74/31/678847431.db2.gz BUJGZFHDGRXCAH-UTUOFQBUSA-N 1 1 322.369 -1.910 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cn[nH]c(=O)c1 ZINC001069953454 678848375 /nfs/dbraw/zinc/84/83/75/678848375.db2.gz FZTWGAZPWNGENU-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cn[nH]c(=O)c1 ZINC001069953454 678848377 /nfs/dbraw/zinc/84/83/77/678848377.db2.gz FZTWGAZPWNGENU-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070000945 678849635 /nfs/dbraw/zinc/84/96/35/678849635.db2.gz XTXCIKSXOCPHMH-WOPDTQHZSA-N 1 1 322.369 -1.767 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070000945 678849638 /nfs/dbraw/zinc/84/96/38/678849638.db2.gz XTXCIKSXOCPHMH-WOPDTQHZSA-N 1 1 322.369 -1.767 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069995599 678849700 /nfs/dbraw/zinc/84/97/00/678849700.db2.gz ONBFKAAGRYIPTM-VWYCJHECSA-N 1 1 307.358 -1.337 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012615 678850482 /nfs/dbraw/zinc/85/04/82/678850482.db2.gz FPAGXUQUKIWZAN-MXWKQRLJSA-N 1 1 307.358 -1.289 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070006562 678850629 /nfs/dbraw/zinc/85/06/29/678850629.db2.gz CHDPNZNGJRYLGD-NEPJUHHUSA-N 1 1 306.326 -1.157 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070006562 678850631 /nfs/dbraw/zinc/85/06/31/678850631.db2.gz CHDPNZNGJRYLGD-NEPJUHHUSA-N 1 1 306.326 -1.157 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070013811 678850872 /nfs/dbraw/zinc/85/08/72/678850872.db2.gz HNLQBXLYFKBKIF-TUAOUCFPSA-N 1 1 322.369 -1.326 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070013811 678850877 /nfs/dbraw/zinc/85/08/77/678850877.db2.gz HNLQBXLYFKBKIF-TUAOUCFPSA-N 1 1 322.369 -1.326 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070013725 678851044 /nfs/dbraw/zinc/85/10/44/678851044.db2.gz CWXLLSNVLXEIKE-TUAOUCFPSA-N 1 1 322.369 -1.469 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070013672 678851120 /nfs/dbraw/zinc/85/11/20/678851120.db2.gz AYZVYGQBVOXWBU-TUAOUCFPSA-N 1 1 322.369 -1.326 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070014003 678851214 /nfs/dbraw/zinc/85/12/14/678851214.db2.gz QYQFHGBSCZOUFO-TUAOUCFPSA-N 1 1 322.369 -1.469 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1n[nH]cc1F ZINC001070018254 678851241 /nfs/dbraw/zinc/85/12/41/678851241.db2.gz AGUCGODBLVFBER-ZJUUUORDSA-N 1 1 309.305 -1.212 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1n[nH]cc1F ZINC001070018254 678851246 /nfs/dbraw/zinc/85/12/46/678851246.db2.gz AGUCGODBLVFBER-ZJUUUORDSA-N 1 1 309.305 -1.212 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070025784 678851768 /nfs/dbraw/zinc/85/17/68/678851768.db2.gz JHEUIFVRAMERJV-KXNHARMFSA-N 1 1 322.369 -1.613 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001070025784 678851771 /nfs/dbraw/zinc/85/17/71/678851771.db2.gz JHEUIFVRAMERJV-KXNHARMFSA-N 1 1 322.369 -1.613 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070041815 678851781 /nfs/dbraw/zinc/85/17/81/678851781.db2.gz PCQNJSMEBWMBNO-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CCNC1=O ZINC001070025820 678851865 /nfs/dbraw/zinc/85/18/65/678851865.db2.gz MAVPAMDZGGJGIB-UHIISALHSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CCNC1=O ZINC001070025820 678851867 /nfs/dbraw/zinc/85/18/67/678851867.db2.gz MAVPAMDZGGJGIB-UHIISALHSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070037990 678851882 /nfs/dbraw/zinc/85/18/82/678851882.db2.gz FRXBERIHVKNUQG-RTXFEEFZSA-N 1 1 319.369 -1.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CCNC1=O ZINC001070025819 678851934 /nfs/dbraw/zinc/85/19/34/678851934.db2.gz MAVPAMDZGGJGIB-SUNKGSAMSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CCNC1=O ZINC001070025819 678851938 /nfs/dbraw/zinc/85/19/38/678851938.db2.gz MAVPAMDZGGJGIB-SUNKGSAMSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CCC(=O)N1 ZINC001070018622 678851981 /nfs/dbraw/zinc/85/19/81/678851981.db2.gz OKYZPZGNDBQRNF-SUNKGSAMSA-N 1 1 322.369 -1.719 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CCC(=O)N1 ZINC001070018622 678851987 /nfs/dbraw/zinc/85/19/87/678851987.db2.gz OKYZPZGNDBQRNF-SUNKGSAMSA-N 1 1 322.369 -1.719 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001070072091 678852978 /nfs/dbraw/zinc/85/29/78/678852978.db2.gz AXRJQFKZGSGKGC-MNOVXSKESA-N 1 1 320.357 -1.373 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001070072091 678852983 /nfs/dbraw/zinc/85/29/83/678852983.db2.gz AXRJQFKZGSGKGC-MNOVXSKESA-N 1 1 320.357 -1.373 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070063012 678853010 /nfs/dbraw/zinc/85/30/10/678853010.db2.gz ORIPETWZXDVICE-MNOVXSKESA-N 1 1 305.342 -1.422 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070063012 678853015 /nfs/dbraw/zinc/85/30/15/678853015.db2.gz ORIPETWZXDVICE-MNOVXSKESA-N 1 1 305.342 -1.422 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058570 678853266 /nfs/dbraw/zinc/85/32/66/678853266.db2.gz KENQTQRHQVEKKT-GDPRMGEGSA-N 1 1 307.314 -1.303 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058570 678853268 /nfs/dbraw/zinc/85/32/68/678853268.db2.gz KENQTQRHQVEKKT-GDPRMGEGSA-N 1 1 307.314 -1.303 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001070072099 678853289 /nfs/dbraw/zinc/85/32/89/678853289.db2.gz BKNSQSCKOCMJOI-AXFHLTTASA-N 1 1 320.357 -1.639 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070090184 678853761 /nfs/dbraw/zinc/85/37/61/678853761.db2.gz ULNLLXQOSVBISQ-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070090184 678853765 /nfs/dbraw/zinc/85/37/65/678853765.db2.gz ULNLLXQOSVBISQ-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070089886 678853783 /nfs/dbraw/zinc/85/37/83/678853783.db2.gz DCZLITGAGNWIPR-UTUOFQBUSA-N 1 1 320.357 -1.708 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070097401 678854379 /nfs/dbraw/zinc/85/43/79/678854379.db2.gz QFHMDOFCEHBOGM-TUAOUCFPSA-N 1 1 321.385 -1.943 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070097402 678854465 /nfs/dbraw/zinc/85/44/65/678854465.db2.gz QFHMDOFCEHBOGM-UTUOFQBUSA-N 1 1 321.385 -1.943 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070096173 678854700 /nfs/dbraw/zinc/85/47/00/678854700.db2.gz LHCXSYRIUASZET-NEPJUHHUSA-N 1 1 305.342 -1.341 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070096173 678854706 /nfs/dbraw/zinc/85/47/06/678854706.db2.gz LHCXSYRIUASZET-NEPJUHHUSA-N 1 1 305.342 -1.341 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)C(N)=O)CCOCC2)C1 ZINC001070122208 678855622 /nfs/dbraw/zinc/85/56/22/678855622.db2.gz PWXAWFRLYAWCRW-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)CCc2cnc[nH]2)CCOCC1 ZINC001070229787 678861220 /nfs/dbraw/zinc/86/12/20/678861220.db2.gz IOIOGMGNMQJQIM-UHFFFAOYSA-N 1 1 323.353 -1.391 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070228494 678861286 /nfs/dbraw/zinc/86/12/86/678861286.db2.gz CFVPMVHWUHQMKV-UHFFFAOYSA-N 1 1 323.353 -1.542 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](n2ccnn2)C1 ZINC001070262773 678863098 /nfs/dbraw/zinc/86/30/98/678863098.db2.gz KJFSXPASGBZKHM-ZJUUUORDSA-N 1 1 321.341 -2.663 20 0 DAADMO Cn1nncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070262954 678863334 /nfs/dbraw/zinc/86/33/34/678863334.db2.gz UNUQXBPNUUATOY-ZJUUUORDSA-N 1 1 319.329 -2.566 20 0 DAADMO O=C(Cc1ncn[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070308662 678864841 /nfs/dbraw/zinc/86/48/41/678864841.db2.gz DTODPXZKYUZNLF-ZJUUUORDSA-N 1 1 306.330 -2.027 20 0 DAADMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001070353271 678865193 /nfs/dbraw/zinc/86/51/93/678865193.db2.gz HIPCKYXMTMQKSL-AXFHLTTASA-N 1 1 322.369 -1.209 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001070405219 678865541 /nfs/dbraw/zinc/86/55/41/678865541.db2.gz DQUDYGNEWUPPRX-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001070405218 678865848 /nfs/dbraw/zinc/86/58/48/678865848.db2.gz DQUDYGNEWUPPRX-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001070422888 678866680 /nfs/dbraw/zinc/86/66/80/678866680.db2.gz KWMJHTUWFIIJLC-MWLCHTKSSA-N 1 1 322.369 -1.511 20 0 DAADMO Cn1nnc(C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCO)C2)n1 ZINC001070421693 678866719 /nfs/dbraw/zinc/86/67/19/678866719.db2.gz UJLBLXATOWTDGQ-SECBINFHSA-N 1 1 320.357 -1.355 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070424944 678866874 /nfs/dbraw/zinc/86/68/74/678866874.db2.gz YFDOBGJUWZFXAF-WCQGTBRESA-N 1 1 321.381 -1.071 20 0 DAADMO COCC(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](CCO)C2)C1 ZINC001070437504 678867538 /nfs/dbraw/zinc/86/75/38/678867538.db2.gz WAEYJZXNXUBBQZ-NSHDSACASA-N 1 1 309.370 -1.020 20 0 DAADMO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@@H+](CCO)C1 ZINC001070597899 678870317 /nfs/dbraw/zinc/87/03/17/678870317.db2.gz AYBIKBUUAVTWKR-UWVGGRQHSA-N 1 1 311.342 -1.612 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001070754906 678872655 /nfs/dbraw/zinc/87/26/55/678872655.db2.gz YPQKEORZZIHROP-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907655 678875189 /nfs/dbraw/zinc/87/51/89/678875189.db2.gz VBOPOMHSKNPIAM-AXFHLTTASA-N 1 1 310.354 -1.012 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907655 678875192 /nfs/dbraw/zinc/87/51/92/678875192.db2.gz VBOPOMHSKNPIAM-AXFHLTTASA-N 1 1 310.354 -1.012 20 0 DAADMO COCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070898811 678875199 /nfs/dbraw/zinc/87/51/99/678875199.db2.gz CPIIREDAAJJSOB-TUAOUCFPSA-N 1 1 313.354 -1.269 20 0 DAADMO COCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070898811 678875200 /nfs/dbraw/zinc/87/52/00/678875200.db2.gz CPIIREDAAJJSOB-TUAOUCFPSA-N 1 1 313.354 -1.269 20 0 DAADMO COCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070898812 678875333 /nfs/dbraw/zinc/87/53/33/678875333.db2.gz CPIIREDAAJJSOB-UTUOFQBUSA-N 1 1 313.354 -1.269 20 0 DAADMO COCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070898812 678875336 /nfs/dbraw/zinc/87/53/36/678875336.db2.gz CPIIREDAAJJSOB-UTUOFQBUSA-N 1 1 313.354 -1.269 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001070949666 678876995 /nfs/dbraw/zinc/87/69/95/678876995.db2.gz QIIXQVGOKUGYOU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001070949666 678877000 /nfs/dbraw/zinc/87/70/00/678877000.db2.gz QIIXQVGOKUGYOU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@H](C)[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070949765 678877202 /nfs/dbraw/zinc/87/72/02/678877202.db2.gz WTAHCGFKXLUESY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070949765 678877206 /nfs/dbraw/zinc/87/72/06/678877206.db2.gz WTAHCGFKXLUESY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCC[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948144 678877218 /nfs/dbraw/zinc/87/72/18/678877218.db2.gz ADTVOEGVGGNPQL-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO COCC[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948144 678877221 /nfs/dbraw/zinc/87/72/21/678877221.db2.gz ADTVOEGVGGNPQL-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001070947411 678877241 /nfs/dbraw/zinc/87/72/41/678877241.db2.gz VPSBDLDSFVJHHF-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001070950349 678877669 /nfs/dbraw/zinc/87/76/69/678877669.db2.gz UASMEHGHFRYKFK-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001070950349 678877673 /nfs/dbraw/zinc/87/76/73/678877673.db2.gz UASMEHGHFRYKFK-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001070964393 678878441 /nfs/dbraw/zinc/87/84/41/678878441.db2.gz GXRAVUIGGLBDBT-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 ZINC001070968160 678879091 /nfs/dbraw/zinc/87/90/91/678879091.db2.gz RAKNKUCEOLAJPJ-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 ZINC001070968160 678879093 /nfs/dbraw/zinc/87/90/93/678879093.db2.gz RAKNKUCEOLAJPJ-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070993689 678880557 /nfs/dbraw/zinc/88/05/57/678880557.db2.gz KUGSXAKTRTZWBR-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004677 678881328 /nfs/dbraw/zinc/88/13/28/678881328.db2.gz NWXXEJAGRWRLLQ-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001071004677 678881331 /nfs/dbraw/zinc/88/13/31/678881331.db2.gz NWXXEJAGRWRLLQ-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001071019570 678882109 /nfs/dbraw/zinc/88/21/09/678882109.db2.gz SIEVNTDDLYRCAA-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001071019570 678882113 /nfs/dbraw/zinc/88/21/13/678882113.db2.gz SIEVNTDDLYRCAA-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071169140 678883707 /nfs/dbraw/zinc/88/37/07/678883707.db2.gz MUJQEEAFWZDQPF-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071169138 678883778 /nfs/dbraw/zinc/88/37/78/678883778.db2.gz MUJQEEAFWZDQPF-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071169108 678883884 /nfs/dbraw/zinc/88/38/84/678883884.db2.gz MGVGQQWJPTWAJR-OCCSQVGLSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071199340 678884684 /nfs/dbraw/zinc/88/46/84/678884684.db2.gz KTIFEUIVQSXIFF-ZWNOBZJWSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071206140 678884806 /nfs/dbraw/zinc/88/48/06/678884806.db2.gz FKLHAVLKIIVJPI-BXUZGUMPSA-N 1 1 322.369 -1.545 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071206142 678885207 /nfs/dbraw/zinc/88/52/07/678885207.db2.gz FKLHAVLKIIVJPI-RISCZKNCSA-N 1 1 322.369 -1.545 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071206338 678885338 /nfs/dbraw/zinc/88/53/38/678885338.db2.gz IOZLJYJFUYCLIZ-RISCZKNCSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206244 678885349 /nfs/dbraw/zinc/88/53/49/678885349.db2.gz GVCBHWLETMFJLD-ABAIWWIYSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206244 678885352 /nfs/dbraw/zinc/88/53/52/678885352.db2.gz GVCBHWLETMFJLD-ABAIWWIYSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071207111 678885545 /nfs/dbraw/zinc/88/55/45/678885545.db2.gz UZGRTAYMPYDDGR-YGRLFVJLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071207111 678885549 /nfs/dbraw/zinc/88/55/49/678885549.db2.gz UZGRTAYMPYDDGR-YGRLFVJLSA-N 1 1 312.370 -1.748 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001071218946 678885578 /nfs/dbraw/zinc/88/55/78/678885578.db2.gz IUNPPWAZWCNFNE-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CCn1cncn1 ZINC001071339808 678887071 /nfs/dbraw/zinc/88/70/71/678887071.db2.gz FHMVVMMMWQAMJN-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071340602 678887298 /nfs/dbraw/zinc/88/72/98/678887298.db2.gz QZXUBAMLZXJMHK-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N(C)C ZINC001071340602 678887300 /nfs/dbraw/zinc/88/73/00/678887300.db2.gz QZXUBAMLZXJMHK-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071340790 678888060 /nfs/dbraw/zinc/88/80/60/678888060.db2.gz UHYIFDJRWJMRCQ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071340790 678888062 /nfs/dbraw/zinc/88/80/62/678888062.db2.gz UHYIFDJRWJMRCQ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071518132 678890348 /nfs/dbraw/zinc/89/03/48/678890348.db2.gz MUIHGONJWAUTFK-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071518134 678890523 /nfs/dbraw/zinc/89/05/23/678890523.db2.gz MUIHGONJWAUTFK-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000394596414 678890978 /nfs/dbraw/zinc/89/09/78/678890978.db2.gz NDCYSDURODRAPZ-CYBMUJFWSA-N 1 1 318.443 -1.067 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C[N@H+]1CCO ZINC001071549469 678891079 /nfs/dbraw/zinc/89/10/79/678891079.db2.gz RBFRZBDBBHQSTF-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[N@@H+]1CC(N)=O ZINC001071575235 678894121 /nfs/dbraw/zinc/89/41/21/678894121.db2.gz UEUBCHJDPBFXNJ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[N@H+]1CC(N)=O ZINC001071575235 678894125 /nfs/dbraw/zinc/89/41/25/678894125.db2.gz UEUBCHJDPBFXNJ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C[N@H+]1CCO ZINC001071619285 678895335 /nfs/dbraw/zinc/89/53/35/678895335.db2.gz MNQTYCAPZMNYPT-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071582525 678895398 /nfs/dbraw/zinc/89/53/98/678895398.db2.gz WYELKYVJEWQZPH-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001071659908 678895858 /nfs/dbraw/zinc/89/58/58/678895858.db2.gz MMRIDCFPNPFGQQ-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001071659908 678895860 /nfs/dbraw/zinc/89/58/60/678895860.db2.gz MMRIDCFPNPFGQQ-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCCNC2=O)C[N@@H+]1CC(N)=O ZINC001071642791 678895944 /nfs/dbraw/zinc/89/59/44/678895944.db2.gz XAEBYSLSRLTLNM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCCNC2=O)C[N@H+]1CC(N)=O ZINC001071642791 678895946 /nfs/dbraw/zinc/89/59/46/678895946.db2.gz XAEBYSLSRLTLNM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCCNC2=O)C[N@@H+]1CC(N)=O ZINC001071642792 678896067 /nfs/dbraw/zinc/89/60/67/678896067.db2.gz XAEBYSLSRLTLNM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCCNC2=O)C[N@H+]1CC(N)=O ZINC001071642792 678896071 /nfs/dbraw/zinc/89/60/71/678896071.db2.gz XAEBYSLSRLTLNM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CC(N)=O ZINC001071738758 678898008 /nfs/dbraw/zinc/89/80/08/678898008.db2.gz HTTQORBOLDGKSR-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CC(N)=O ZINC001071738758 678898009 /nfs/dbraw/zinc/89/80/09/678898009.db2.gz HTTQORBOLDGKSR-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894494 678900569 /nfs/dbraw/zinc/90/05/69/678900569.db2.gz ZMXOHZPYUNRGIZ-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894494 678900572 /nfs/dbraw/zinc/90/05/72/678900572.db2.gz ZMXOHZPYUNRGIZ-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894493 678900607 /nfs/dbraw/zinc/90/06/07/678900607.db2.gz ZMXOHZPYUNRGIZ-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894493 678900611 /nfs/dbraw/zinc/90/06/11/678900611.db2.gz ZMXOHZPYUNRGIZ-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[N@H+]1CCO ZINC001071972604 678902390 /nfs/dbraw/zinc/90/23/90/678902390.db2.gz XWRPHOUJBWRORD-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[N@H+]1CCO ZINC001071972606 678902557 /nfs/dbraw/zinc/90/25/57/678902557.db2.gz XWRPHOUJBWRORD-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[N@H+]1CCO ZINC001071987184 678902959 /nfs/dbraw/zinc/90/29/59/678902959.db2.gz BLWCZKDWLRYESP-NXEZZACHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[N@H+]1CCO ZINC001071987189 678903080 /nfs/dbraw/zinc/90/30/80/678903080.db2.gz BLWCZKDWLRYESP-UWVGGRQHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C[N@H+]1CCO ZINC001071989533 678903158 /nfs/dbraw/zinc/90/31/58/678903158.db2.gz QDELJDWQKGHXGN-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C[N@H+]1CCO ZINC001071987190 678903178 /nfs/dbraw/zinc/90/31/78/678903178.db2.gz BLWCZKDWLRYESP-VHSXEESVSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CC(N)=O ZINC001072054526 678904420 /nfs/dbraw/zinc/90/44/20/678904420.db2.gz FGWMOPRIJQXOBR-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CC(N)=O ZINC001072054526 678904421 /nfs/dbraw/zinc/90/44/21/678904421.db2.gz FGWMOPRIJQXOBR-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CC(N)=O ZINC001072054524 678904799 /nfs/dbraw/zinc/90/47/99/678904799.db2.gz FGWMOPRIJQXOBR-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CC(N)=O ZINC001072054524 678904800 /nfs/dbraw/zinc/90/48/00/678904800.db2.gz FGWMOPRIJQXOBR-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CCCO ZINC001072055612 678905114 /nfs/dbraw/zinc/90/51/14/678905114.db2.gz WUTGMEBQSVEEFK-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCCO1 ZINC001200174197 782192389 /nfs/dbraw/zinc/19/23/89/782192389.db2.gz YGFLXFJZUADRTR-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)nn1 ZINC001152713161 782193097 /nfs/dbraw/zinc/19/30/97/782193097.db2.gz SVIPJHUJNKGGIP-UHFFFAOYSA-N 1 1 307.358 -1.145 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 ZINC001200201402 782193257 /nfs/dbraw/zinc/19/32/57/782193257.db2.gz XJKYXOHRMYHMBY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001200344455 782196069 /nfs/dbraw/zinc/19/60/69/782196069.db2.gz UCMRVDNKGUITNZ-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001200396700 782197387 /nfs/dbraw/zinc/19/73/87/782197387.db2.gz KVNVEODRVZZODP-UHFFFAOYSA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@@H](CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1)NC(N)=O ZINC001200563245 782203165 /nfs/dbraw/zinc/20/31/65/782203165.db2.gz IBGLXOQFZMRSQD-VIFPVBQESA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110557732 782207472 /nfs/dbraw/zinc/20/74/72/782207472.db2.gz WBYSQTLWHVXMGO-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCCO1 ZINC001201111382 782210864 /nfs/dbraw/zinc/21/08/64/782210864.db2.gz ABIZVLMARKHSRI-SNVBAGLBSA-N 1 1 310.358 -1.320 20 0 DAADMO Cn1ncc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001201306575 782215971 /nfs/dbraw/zinc/21/59/71/782215971.db2.gz UPVAAVKIQTUWNH-AVGNSLFASA-N 1 1 301.354 -1.294 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1)C(N)=O ZINC001201431470 782219130 /nfs/dbraw/zinc/21/91/30/782219130.db2.gz XTKXLDPYSQDYPV-JQWIXIFHSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1)C(N)=O ZINC001201431470 782219136 /nfs/dbraw/zinc/21/91/36/782219136.db2.gz XTKXLDPYSQDYPV-JQWIXIFHSA-N 1 1 324.385 -1.182 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1 ZINC001201431122 782219472 /nfs/dbraw/zinc/21/94/72/782219472.db2.gz VYMFUWKEBHIEAZ-LLVKDONJSA-N 1 1 310.358 -1.570 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 ZINC001201431122 782219476 /nfs/dbraw/zinc/21/94/76/782219476.db2.gz VYMFUWKEBHIEAZ-LLVKDONJSA-N 1 1 310.358 -1.570 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001110630707 782235016 /nfs/dbraw/zinc/23/50/16/782235016.db2.gz QOXAFNRXRDCUGC-WISYIIOYSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001110630707 782235018 /nfs/dbraw/zinc/23/50/18/782235018.db2.gz QOXAFNRXRDCUGC-WISYIIOYSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001110619244 782235035 /nfs/dbraw/zinc/23/50/35/782235035.db2.gz UHBMTWCFHRYHEY-KKOKHZNYSA-N 1 1 319.427 -1.020 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631627 782235982 /nfs/dbraw/zinc/23/59/82/782235982.db2.gz GUJLJPKTWSDYOG-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110631627 782235984 /nfs/dbraw/zinc/23/59/84/782235984.db2.gz GUJLJPKTWSDYOG-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115181132 782236306 /nfs/dbraw/zinc/23/63/06/782236306.db2.gz XEEBYTDJMQGVMX-PJXYFTJBSA-N 1 1 319.427 -1.255 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114378587 782244424 /nfs/dbraw/zinc/24/44/24/782244424.db2.gz LZQUUGREPLDAHA-IAZYJMLFSA-N 1 1 307.358 -1.747 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001114379270 782244468 /nfs/dbraw/zinc/24/44/68/782244468.db2.gz WUAKDXFSXQNHLK-MVVXRAEJSA-N 1 1 323.397 -1.371 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115220238 782238467 /nfs/dbraw/zinc/23/84/67/782238467.db2.gz DXUIYLDFQCDUOY-IAZYJMLFSA-N 1 1 300.359 -1.900 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001114320990 782240257 /nfs/dbraw/zinc/24/02/57/782240257.db2.gz DSNQKIYKYZYZSJ-WYUUTHIRSA-N 1 1 318.395 -1.915 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001114320990 782240260 /nfs/dbraw/zinc/24/02/60/782240260.db2.gz DSNQKIYKYZYZSJ-WYUUTHIRSA-N 1 1 318.395 -1.915 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)COC ZINC001114317050 782240732 /nfs/dbraw/zinc/24/07/32/782240732.db2.gz QJHSSIMRVICEHN-DNJQJEMRSA-N 1 1 312.370 -2.070 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)COC ZINC001114317050 782240737 /nfs/dbraw/zinc/24/07/37/782240737.db2.gz QJHSSIMRVICEHN-DNJQJEMRSA-N 1 1 312.370 -2.070 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336371 782240827 /nfs/dbraw/zinc/24/08/27/782240827.db2.gz NMBRHBJMXABDRK-IMRBUKKESA-N 1 1 309.370 -1.013 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114334581 782241017 /nfs/dbraw/zinc/24/10/17/782241017.db2.gz WJZSJJPOYWHOBV-YABSGUDNSA-N 1 1 306.370 -1.197 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114361772 782241506 /nfs/dbraw/zinc/24/15/06/782241506.db2.gz TZIWGOYYKSCZHX-IAZYJMLFSA-N 1 1 305.400 -1.646 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364112 782241790 /nfs/dbraw/zinc/24/17/90/782241790.db2.gz QDZJGCPQGUHHKL-SVDPJWKOSA-N 1 1 305.400 -1.695 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114364455 782242063 /nfs/dbraw/zinc/24/20/63/782242063.db2.gz YJTASLBKRGZQLS-UXCLJVHYSA-N 1 1 305.400 -1.647 20 0 DAADMO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C(=O)C1CC1 ZINC001114364342 782242204 /nfs/dbraw/zinc/24/22/04/782242204.db2.gz WLJIMSHIGLMWIK-KZVDOYCCSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364291 782242295 /nfs/dbraw/zinc/24/22/95/782242295.db2.gz UYHMDTYOBQBVOC-WYOJIJJFSA-N 1 1 318.399 -2.202 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364291 782242300 /nfs/dbraw/zinc/24/23/00/782242300.db2.gz UYHMDTYOBQBVOC-WYOJIJJFSA-N 1 1 318.399 -2.202 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001114373992 782242723 /nfs/dbraw/zinc/24/27/23/782242723.db2.gz LNLSFMGTBAOPCJ-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001114373992 782242729 /nfs/dbraw/zinc/24/27/29/782242729.db2.gz LNLSFMGTBAOPCJ-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114374708 782242767 /nfs/dbraw/zinc/24/27/67/782242767.db2.gz YBIFTPKNSAUCCJ-IWIIMEHWSA-N 1 1 309.370 -1.760 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114374708 782242772 /nfs/dbraw/zinc/24/27/72/782242772.db2.gz YBIFTPKNSAUCCJ-IWIIMEHWSA-N 1 1 309.370 -1.760 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114376577 782242807 /nfs/dbraw/zinc/24/28/07/782242807.db2.gz OBCGEYHUXDRLEA-SREGZZRCSA-N 1 1 323.353 -2.233 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC001114420119 782246517 /nfs/dbraw/zinc/24/65/17/782246517.db2.gz BLPKZKPLQDGXJX-PUHVVEEASA-N 1 1 322.365 -1.552 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC001114411626 782246710 /nfs/dbraw/zinc/24/67/10/782246710.db2.gz IBQJUOUVUTVULU-KZWBYHQPSA-N 1 1 322.365 -1.057 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC001114411725 782246722 /nfs/dbraw/zinc/24/67/22/782246722.db2.gz JTYOBTMHSPAHAI-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21)C1CCC1 ZINC001114411695 782247182 /nfs/dbraw/zinc/24/71/82/782247182.db2.gz JJDCEFWQMLIDKS-YABSGUDNSA-N 1 1 323.397 -1.288 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114433400 782247649 /nfs/dbraw/zinc/24/76/49/782247649.db2.gz KAOZNIHTDOTGFY-ZRUFSTJUSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398429 782245287 /nfs/dbraw/zinc/24/52/87/782245287.db2.gz DZRLPASPZYLIBS-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1ccnn1 ZINC001114398429 782245293 /nfs/dbraw/zinc/24/52/93/782245293.db2.gz DZRLPASPZYLIBS-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(N)=O ZINC001114434388 782247934 /nfs/dbraw/zinc/24/79/34/782247934.db2.gz WQWNCQHKTOPBAE-URLYPYJESA-N 1 1 306.370 -1.127 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(N)=O ZINC001114434388 782247940 /nfs/dbraw/zinc/24/79/40/782247940.db2.gz WQWNCQHKTOPBAE-URLYPYJESA-N 1 1 306.370 -1.127 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114436300 782248013 /nfs/dbraw/zinc/24/80/13/782248013.db2.gz DSWXGEJICJDMNG-MTBHXBHISA-N 1 1 322.325 -1.721 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114436300 782248021 /nfs/dbraw/zinc/24/80/21/782248021.db2.gz DSWXGEJICJDMNG-MTBHXBHISA-N 1 1 322.325 -1.721 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@@H]1CCCNC1=O ZINC001114434532 782248036 /nfs/dbraw/zinc/24/80/36/782248036.db2.gz YVAMPXFHVPWEOC-NDBYEHHHSA-N 1 1 311.382 -1.432 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436179 782248132 /nfs/dbraw/zinc/24/81/32/782248132.db2.gz BJBSBTRNYRJARL-VROVMSAKSA-N 1 1 320.309 -1.963 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436179 782248142 /nfs/dbraw/zinc/24/81/42/782248142.db2.gz BJBSBTRNYRJARL-VROVMSAKSA-N 1 1 320.309 -1.963 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114433468 782248250 /nfs/dbraw/zinc/24/82/50/782248250.db2.gz KVAYSWFULGPBGQ-IAZYJMLFSA-N 1 1 308.382 -1.177 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114433468 782248259 /nfs/dbraw/zinc/24/82/59/782248259.db2.gz KVAYSWFULGPBGQ-IAZYJMLFSA-N 1 1 308.382 -1.177 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114443088 782248822 /nfs/dbraw/zinc/24/88/22/782248822.db2.gz VANLOCNWOXGEMY-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114443088 782248828 /nfs/dbraw/zinc/24/88/28/782248828.db2.gz VANLOCNWOXGEMY-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114452761 782250231 /nfs/dbraw/zinc/25/02/31/782250231.db2.gz HIGPFPRHTNOORQ-WUWHUORYSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ccnn1C ZINC001114452761 782250242 /nfs/dbraw/zinc/25/02/42/782250242.db2.gz HIGPFPRHTNOORQ-WUWHUORYSA-N 1 1 321.381 -1.143 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254388 782250336 /nfs/dbraw/zinc/25/03/36/782250336.db2.gz MDAUJCQFWBSXGE-REIXXSIJSA-N 1 1 318.399 -2.284 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114458678 782250378 /nfs/dbraw/zinc/25/03/78/782250378.db2.gz QBVKSMNLVJWCNB-YABSGUDNSA-N 1 1 307.354 -1.532 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114458678 782250383 /nfs/dbraw/zinc/25/03/83/782250383.db2.gz QBVKSMNLVJWCNB-YABSGUDNSA-N 1 1 307.354 -1.532 20 0 DAADMO Cn1ncc(C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)c1N ZINC001273973182 782250399 /nfs/dbraw/zinc/25/03/99/782250399.db2.gz GNETZQQZOVVERQ-ONEGZZNKSA-N 1 1 320.357 -1.500 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)CNC(C)=O ZINC001114480594 782251340 /nfs/dbraw/zinc/25/13/40/782251340.db2.gz QSJUIIYBOWGKQC-YABSGUDNSA-N 1 1 312.370 -2.069 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114480315 782251738 /nfs/dbraw/zinc/25/17/38/782251738.db2.gz LIPWDPAIYIDUPM-YABSGUDNSA-N 1 1 312.370 -2.333 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001114480670 782251760 /nfs/dbraw/zinc/25/17/60/782251760.db2.gz SJFQLHGZHLXBIM-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114480670 782251769 /nfs/dbraw/zinc/25/17/69/782251769.db2.gz SJFQLHGZHLXBIM-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946657 782254675 /nfs/dbraw/zinc/25/46/75/782254675.db2.gz JMGHLKOZBITQAM-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337947 782257788 /nfs/dbraw/zinc/25/77/88/782257788.db2.gz AKZAJCZGSCUWHD-VLEAKVRGSA-N 1 1 322.369 -1.160 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337947 782257792 /nfs/dbraw/zinc/25/77/92/782257792.db2.gz AKZAJCZGSCUWHD-VLEAKVRGSA-N 1 1 322.369 -1.160 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095338063 782257837 /nfs/dbraw/zinc/25/78/37/782257837.db2.gz GXWPJOVEGWTJEZ-VPOLOUISSA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095338063 782257842 /nfs/dbraw/zinc/25/78/42/782257842.db2.gz GXWPJOVEGWTJEZ-VPOLOUISSA-N 1 1 320.353 -1.406 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095371051 782258083 /nfs/dbraw/zinc/25/80/83/782258083.db2.gz LVZSNJIZLITJDT-YTWAJWBKSA-N 1 1 310.354 -1.096 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095371051 782258094 /nfs/dbraw/zinc/25/80/94/782258094.db2.gz LVZSNJIZLITJDT-YTWAJWBKSA-N 1 1 310.354 -1.096 20 0 DAADMO C[C@@H]([NH2+]CC1(NC(=O)C(N)=O)CCOCC1)c1nncn1C ZINC001273995993 782258213 /nfs/dbraw/zinc/25/82/13/782258213.db2.gz VYAGCSJLJMLOIU-SECBINFHSA-N 1 1 310.358 -1.384 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338419 782258234 /nfs/dbraw/zinc/25/82/34/782258234.db2.gz YGBPWIWBNQZPCI-YTWAJWBKSA-N 1 1 322.369 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338419 782258240 /nfs/dbraw/zinc/25/82/40/782258240.db2.gz YGBPWIWBNQZPCI-YTWAJWBKSA-N 1 1 322.369 -1.031 20 0 DAADMO O=C(NC1(C[NH2+]CCOCCO)CCOCC1)c1ncn[nH]1 ZINC001274006317 782259234 /nfs/dbraw/zinc/25/92/34/782259234.db2.gz HBNNIUNWSMZIHS-UHFFFAOYSA-N 1 1 313.358 -1.318 20 0 DAADMO O=C(NC1(C[NH2+]CCOCCO)CCOCC1)c1nc[nH]n1 ZINC001274006317 782259243 /nfs/dbraw/zinc/25/92/43/782259243.db2.gz HBNNIUNWSMZIHS-UHFFFAOYSA-N 1 1 313.358 -1.318 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274051388 782259656 /nfs/dbraw/zinc/25/96/56/782259656.db2.gz FKTZRNJDJOGCKX-RISCZKNCSA-N 1 1 309.370 -1.001 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099946991 782256388 /nfs/dbraw/zinc/25/63/88/782256388.db2.gz OSWXSUVOJTWUER-NXEZZACHSA-N 1 1 314.346 -2.616 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337948 782256921 /nfs/dbraw/zinc/25/69/21/782256921.db2.gz AKZAJCZGSCUWHD-ZNSHCXBVSA-N 1 1 322.369 -1.160 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337948 782256929 /nfs/dbraw/zinc/25/69/29/782256929.db2.gz AKZAJCZGSCUWHD-ZNSHCXBVSA-N 1 1 322.369 -1.160 20 0 DAADMO C[C@H]([NH2+]CC1(NC(=O)C(N)=O)CCOCC1)c1nncn1C ZINC001273995994 782257227 /nfs/dbraw/zinc/25/72/27/782257227.db2.gz VYAGCSJLJMLOIU-VIFPVBQESA-N 1 1 310.358 -1.384 20 0 DAADMO CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062398 782260887 /nfs/dbraw/zinc/26/08/87/782260887.db2.gz XGCXKGFAYITUPX-OAHLLOKOSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCN1CCOCC1 ZINC001274054046 782261084 /nfs/dbraw/zinc/26/10/84/782261084.db2.gz XEDUZUYHFREQFT-ZDUSSCGKSA-N 1 1 313.398 -1.387 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CCN1CCOCC1 ZINC001274054043 782261538 /nfs/dbraw/zinc/26/15/38/782261538.db2.gz XEDUZUYHFREQFT-CYBMUJFWSA-N 1 1 313.398 -1.387 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274074058 782262857 /nfs/dbraw/zinc/26/28/57/782262857.db2.gz RVLKNVHGDQOMEB-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](CO)C[NH+]1CC2(C1)COCC(=O)N2Cc1nncn1C ZINC001274073617 782263021 /nfs/dbraw/zinc/26/30/21/782263021.db2.gz XRQBLDHOFJHFTF-NSHDSACASA-N 1 1 309.370 -1.143 20 0 DAADMO CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061001 782264002 /nfs/dbraw/zinc/26/40/02/782264002.db2.gz DMEPJZKCYMCZOW-HNNXBMFYSA-N 1 1 324.381 -1.209 20 0 DAADMO CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072682 782264321 /nfs/dbraw/zinc/26/43/21/782264321.db2.gz GPDNOUGGUBMGLA-OAHLLOKOSA-N 1 1 324.381 -1.290 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274074777 782264702 /nfs/dbraw/zinc/26/47/02/782264702.db2.gz ZZAWDUJINMUIPC-AWEZNQCLSA-N 1 1 312.370 -1.828 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274074777 782264708 /nfs/dbraw/zinc/26/47/08/782264708.db2.gz ZZAWDUJINMUIPC-AWEZNQCLSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(CC(OC)OC)C(=O)CO2 ZINC001274072095 782265073 /nfs/dbraw/zinc/26/50/73/782265073.db2.gz NOWBNPBRQIJQBV-CQSZACIVSA-N 1 1 315.370 -1.345 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(CC(OC)OC)C(=O)CO2 ZINC001274072095 782265078 /nfs/dbraw/zinc/26/50/78/782265078.db2.gz NOWBNPBRQIJQBV-CQSZACIVSA-N 1 1 315.370 -1.345 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001099949936 782269567 /nfs/dbraw/zinc/26/95/67/782269567.db2.gz WMYSWIJPKNHLRN-BJJPWKGXSA-N 1 1 314.382 -1.561 20 0 DAADMO Cn1cc(C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)c(=O)n(C)c1=O ZINC001274149025 782266778 /nfs/dbraw/zinc/26/67/78/782266778.db2.gz GRJLMOVNRHKGBF-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO Cn1cc(C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)c(=O)n(C)c1=O ZINC001274149025 782266783 /nfs/dbraw/zinc/26/67/83/782266783.db2.gz GRJLMOVNRHKGBF-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCc2n[nH]c(C(N)=O)c2C1 ZINC001274233239 782269984 /nfs/dbraw/zinc/26/99/84/782269984.db2.gz MZKXMIKXGYSIAO-NSHDSACASA-N 1 1 306.370 -1.361 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001274405596 782275890 /nfs/dbraw/zinc/27/58/90/782275890.db2.gz WRFUYLZEZOQOQF-XADBCAIWSA-N 1 1 321.341 -1.825 20 0 DAADMO Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001274359961 782276672 /nfs/dbraw/zinc/27/66/72/782276672.db2.gz ISYCFTKKPAJDRY-LMZQTDFCSA-N 1 1 322.369 -1.390 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001274233483 782270379 /nfs/dbraw/zinc/27/03/79/782270379.db2.gz PSFLQENKVMWGJJ-OLZOCXBDSA-N 1 1 320.397 -1.285 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCc2n[nH]c(C(N)=O)c2C1 ZINC001274233238 782271351 /nfs/dbraw/zinc/27/13/51/782271351.db2.gz MZKXMIKXGYSIAO-LLVKDONJSA-N 1 1 306.370 -1.361 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCOC[C@@H]2C(N)=O ZINC001274233946 782271489 /nfs/dbraw/zinc/27/14/89/782271489.db2.gz USZMHBJQTHRPLG-NEPJUHHUSA-N 1 1 310.398 -1.417 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001274262637 782271815 /nfs/dbraw/zinc/27/18/15/782271815.db2.gz FLXMOMZXXWWFFA-PGLGOXFNSA-N 1 1 307.358 -1.399 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001274262635 782271968 /nfs/dbraw/zinc/27/19/68/782271968.db2.gz FLXMOMZXXWWFFA-BYCRGOAPSA-N 1 1 307.358 -1.399 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001274474520 782279517 /nfs/dbraw/zinc/27/95/17/782279517.db2.gz QGEJOFGNRBOGFN-LLVKDONJSA-N 1 1 300.359 -2.693 20 0 DAADMO Cn1cc(C[NH2+]C/C=C\CNC(=O)CCn2cnnn2)nn1 ZINC001274465728 782279538 /nfs/dbraw/zinc/27/95/38/782279538.db2.gz ZJKIPKJVHXBOHC-IHWYPQMZSA-N 1 1 305.346 -1.346 20 0 DAADMO COCCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274566110 782282764 /nfs/dbraw/zinc/28/27/64/782282764.db2.gz VPETYOAHPMBZAY-ZFWWWQNUSA-N 1 1 316.398 -1.073 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563818 782283283 /nfs/dbraw/zinc/28/32/83/782283283.db2.gz CAYDSZUEYFLSIW-WDMOLILDSA-N 1 1 315.370 -2.093 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565349 782283869 /nfs/dbraw/zinc/28/38/69/782283869.db2.gz PRNZQAQSQOISEC-SMDDNHRTSA-N 1 1 315.370 -2.221 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274564454 782283995 /nfs/dbraw/zinc/28/39/95/782283995.db2.gz FXKMOMKWNNZEOU-ZLDLUXBVSA-N 1 1 314.382 -1.132 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274564454 782284005 /nfs/dbraw/zinc/28/40/05/782284005.db2.gz FXKMOMKWNNZEOU-ZLDLUXBVSA-N 1 1 314.382 -1.132 20 0 DAADMO COCCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274566109 782284248 /nfs/dbraw/zinc/28/42/48/782284248.db2.gz VPETYOAHPMBZAY-DZGCQCFKSA-N 1 1 316.398 -1.073 20 0 DAADMO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(C[C@H](O)CO)C2 ZINC001274564626 782284340 /nfs/dbraw/zinc/28/43/40/782284340.db2.gz KHMBUUDRZVXBQB-ZFWWWQNUSA-N 1 1 315.414 -1.548 20 0 DAADMO O=C1CC[C@@H](CN2CC[C@@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)N1 ZINC001274569733 782284955 /nfs/dbraw/zinc/28/49/55/782284955.db2.gz LDMKJAJAKRHSKN-HUBLWGQQSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1C[C@@]2(CN1C1COC1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274570734 782285172 /nfs/dbraw/zinc/28/51/72/782285172.db2.gz CITAQHZNEZSKFY-GXTWGEPZSA-N 1 1 300.355 -1.711 20 0 DAADMO CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274569561 782285388 /nfs/dbraw/zinc/28/53/88/782285388.db2.gz FWPDJEYJUKQAHK-SWLSCSKDSA-N 1 1 313.398 -1.258 20 0 DAADMO O=C1CC[C@@H](CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)N1 ZINC001274569741 782285597 /nfs/dbraw/zinc/28/55/97/782285597.db2.gz LIJBZJGOKXUESD-WUHRBBMRSA-N 1 1 311.382 -1.317 20 0 DAADMO Cn1cncc1CN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274569801 782285781 /nfs/dbraw/zinc/28/57/81/782285781.db2.gz NEUKEUBDDPKCQG-DZGCQCFKSA-N 1 1 324.381 -1.423 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274698414 782291077 /nfs/dbraw/zinc/29/10/77/782291077.db2.gz SZDDMLCYODNUTK-VHSXEESVSA-N 1 1 307.354 -1.048 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274698414 782291083 /nfs/dbraw/zinc/29/10/83/782291083.db2.gz SZDDMLCYODNUTK-VHSXEESVSA-N 1 1 307.354 -1.048 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001274696848 782291240 /nfs/dbraw/zinc/29/12/40/782291240.db2.gz FSSRSBLZISSZOU-JTQLQIEISA-N 1 1 322.369 -1.611 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001274696848 782291244 /nfs/dbraw/zinc/29/12/44/782291244.db2.gz FSSRSBLZISSZOU-JTQLQIEISA-N 1 1 322.369 -1.611 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@H]2C[C@@]2(C(=O)NCC2COC2)C1 ZINC001274698279 782291642 /nfs/dbraw/zinc/29/16/42/782291642.db2.gz QYMRHCVLXNMSPY-XJKCOSOUSA-N 1 1 323.393 -1.336 20 0 DAADMO NC(=O)[C@H]1CCn2nccc2CN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274698403 782291786 /nfs/dbraw/zinc/29/17/86/782291786.db2.gz SVNCLNCYYFOXCZ-VXGBXAGGSA-N 1 1 307.354 -1.464 20 0 DAADMO NC(=O)[C@H]1CCn2nccc2CN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274698403 782291791 /nfs/dbraw/zinc/29/17/91/782291791.db2.gz SVNCLNCYYFOXCZ-VXGBXAGGSA-N 1 1 307.354 -1.464 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001280582069 782293068 /nfs/dbraw/zinc/29/30/68/782293068.db2.gz USIIJLUIZSLSNJ-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[NH2+]CCNS(C)(=O)=O)n[nH]1 ZINC001274747261 782293177 /nfs/dbraw/zinc/29/31/77/782293177.db2.gz KSTPUPXLEOYTBA-MRVPVSSYSA-N 1 1 318.403 -1.701 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)nc1 ZINC001274791715 782294145 /nfs/dbraw/zinc/29/41/45/782294145.db2.gz NCMVTQUTVDRNAA-ZJUUUORDSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)C1(C(N)=O)CC1 ZINC001274901155 782296854 /nfs/dbraw/zinc/29/68/54/782296854.db2.gz VQRVAUBDUKMCLU-MRVPVSSYSA-N 1 1 307.358 -1.132 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001280580353 782290135 /nfs/dbraw/zinc/29/01/35/782290135.db2.gz GPPJQLWBWFORIN-LLVKDONJSA-N 1 1 311.342 -1.087 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@H]2C[C@@]2(C(=O)Nc2nnco2)C1 ZINC001274698082 782290651 /nfs/dbraw/zinc/29/06/51/782290651.db2.gz OKZYLJGDWBOHKA-ISTVAULSSA-N 1 1 321.337 -1.077 20 0 DAADMO CCC[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275101565 782302958 /nfs/dbraw/zinc/30/29/58/782302958.db2.gz OEZOLVDVXMQGNO-FTEPDLOASA-N 1 1 316.354 -2.517 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001275166746 782303714 /nfs/dbraw/zinc/30/37/14/782303714.db2.gz DZIYLCCUOMGMIP-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001275184675 782304599 /nfs/dbraw/zinc/30/45/99/782304599.db2.gz FXYSGBPALXAWGF-CIUDSAMLSA-N 1 1 323.357 -1.432 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529453 782311045 /nfs/dbraw/zinc/31/10/45/782311045.db2.gz UNYZECCBAPPGOJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529453 782311055 /nfs/dbraw/zinc/31/10/55/782311055.db2.gz UNYZECCBAPPGOJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)C(N)=O)C1 ZINC001280723177 782313053 /nfs/dbraw/zinc/31/30/53/782313053.db2.gz OQRQJTMVPZHGQU-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCNC(=O)CC(=O)N[C@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001275535914 782313699 /nfs/dbraw/zinc/31/36/99/782313699.db2.gz ZZKOIQCAIUAWLP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)CCF)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275665801 782314584 /nfs/dbraw/zinc/31/45/84/782314584.db2.gz OBNHSRQSRSXJQO-MRVPVSSYSA-N 1 1 302.306 -1.187 20 0 DAADMO C[C@H](C[N@@H+](C)CCF)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275665801 782314594 /nfs/dbraw/zinc/31/45/94/782314594.db2.gz OBNHSRQSRSXJQO-MRVPVSSYSA-N 1 1 302.306 -1.187 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001275679594 782315369 /nfs/dbraw/zinc/31/53/69/782315369.db2.gz GGFDVZLVGZDFKV-MWLCHTKSSA-N 1 1 315.370 -1.517 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1cn[nH]n1 ZINC001275659075 782315982 /nfs/dbraw/zinc/31/59/82/782315982.db2.gz LHFNVPWXZBQAIM-ONGXEEELSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659075 782315993 /nfs/dbraw/zinc/31/59/93/782315993.db2.gz LHFNVPWXZBQAIM-ONGXEEELSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659075 782316001 /nfs/dbraw/zinc/31/60/01/782316001.db2.gz LHFNVPWXZBQAIM-ONGXEEELSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699802 782316336 /nfs/dbraw/zinc/31/63/36/782316336.db2.gz ZTQKMQSBSKWIAW-RKDXNWHRSA-N 1 1 313.358 -1.809 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699802 782316345 /nfs/dbraw/zinc/31/63/45/782316345.db2.gz ZTQKMQSBSKWIAW-RKDXNWHRSA-N 1 1 313.358 -1.809 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001275712103 782317176 /nfs/dbraw/zinc/31/71/76/782317176.db2.gz DTTSTBMKTOXYGP-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CN1C(=O)CCC1=O ZINC001275712157 782317203 /nfs/dbraw/zinc/31/72/03/782317203.db2.gz FHVMUCITLBQTSV-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CN1C(=O)CCC1=O ZINC001275712157 782317208 /nfs/dbraw/zinc/31/72/08/782317208.db2.gz FHVMUCITLBQTSV-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001275793835 782319502 /nfs/dbraw/zinc/31/95/02/782319502.db2.gz WEKNKCWNHJDZJK-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001275793835 782319504 /nfs/dbraw/zinc/31/95/04/782319504.db2.gz WEKNKCWNHJDZJK-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@H+](C)CCNS(C)(=O)=O ZINC001275897723 782321087 /nfs/dbraw/zinc/32/10/87/782321087.db2.gz SWLQRCYVQVZVFZ-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001275897723 782321093 /nfs/dbraw/zinc/32/10/93/782321093.db2.gz SWLQRCYVQVZVFZ-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001275914284 782321340 /nfs/dbraw/zinc/32/13/40/782321340.db2.gz YPPNXOITVCDASD-BDAKNGLRSA-N 1 1 314.342 -2.582 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001275928005 782322246 /nfs/dbraw/zinc/32/22/46/782322246.db2.gz BZNBJWNTNQSJKA-SDBXPKJASA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001275928005 782322247 /nfs/dbraw/zinc/32/22/47/782322247.db2.gz BZNBJWNTNQSJKA-SDBXPKJASA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)C1(C(N)=O)CC1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001275921371 782322333 /nfs/dbraw/zinc/32/23/33/782322333.db2.gz SROLLFWNAYGWRJ-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001275928004 782322748 /nfs/dbraw/zinc/32/27/48/782322748.db2.gz BZNBJWNTNQSJKA-OQPBUACISA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001275928004 782322753 /nfs/dbraw/zinc/32/27/53/782322753.db2.gz BZNBJWNTNQSJKA-OQPBUACISA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@H+](C)CC(N)=O ZINC001275945479 782323771 /nfs/dbraw/zinc/32/37/71/782323771.db2.gz MYBAJFFOHIVBJY-ZETCQYMHSA-N 1 1 313.314 -2.671 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CC(N)=O ZINC001275945479 782323776 /nfs/dbraw/zinc/32/37/76/782323776.db2.gz MYBAJFFOHIVBJY-ZETCQYMHSA-N 1 1 313.314 -2.671 20 0 DAADMO CN1CCO[C@H]2C[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H]21 ZINC001275978733 782325330 /nfs/dbraw/zinc/32/53/30/782325330.db2.gz YKQLCTRJGKRXLN-ZUWCUPBKSA-N 1 1 316.398 -1.126 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)C[NH+]1CCC1)C2 ZINC001275982943 782326021 /nfs/dbraw/zinc/32/60/21/782326021.db2.gz RQUCVIAGUHRKTH-IAQYHMDHSA-N 1 1 308.382 -1.255 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276021268 782328445 /nfs/dbraw/zinc/32/84/45/782328445.db2.gz MFKVJVRRWVVZBU-VHSXEESVSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276021268 782328453 /nfs/dbraw/zinc/32/84/53/782328453.db2.gz MFKVJVRRWVVZBU-VHSXEESVSA-N 1 1 312.370 -1.388 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001095421173 782328878 /nfs/dbraw/zinc/32/88/78/782328878.db2.gz OCDPIEGXGOBVKJ-WOPDTQHZSA-N 1 1 317.357 -1.314 20 0 DAADMO COCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001276075745 782331474 /nfs/dbraw/zinc/33/14/74/782331474.db2.gz OTQLVTOUNCEJEQ-SNVBAGLBSA-N 1 1 300.359 -1.743 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001095440015 782331556 /nfs/dbraw/zinc/33/15/56/782331556.db2.gz PVPVXOALMXBLAM-VWYCJHECSA-N 1 1 322.369 -1.255 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001275992874 782325680 /nfs/dbraw/zinc/32/56/80/782325680.db2.gz CVKQKFHCEKRREL-VHSXEESVSA-N 1 1 300.359 -1.302 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)C[NH+]1CCC1)C2 ZINC001275978001 782325918 /nfs/dbraw/zinc/32/59/18/782325918.db2.gz IRHYUWIBSKBCLK-NOZJJQNGSA-N 1 1 305.342 -1.297 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001095553436 782334910 /nfs/dbraw/zinc/33/49/10/782334910.db2.gz FRBKGCMJFNXOFE-RCWTZXSCSA-N 1 1 310.354 -1.312 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1=O ZINC001095647054 782335894 /nfs/dbraw/zinc/33/58/94/782335894.db2.gz BUSAIGZATXRFAK-AGIUHOORSA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649301 782335925 /nfs/dbraw/zinc/33/59/25/782335925.db2.gz PXQMXUCMXNNJRA-VLEAKVRGSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649301 782335933 /nfs/dbraw/zinc/33/59/33/782335933.db2.gz PXQMXUCMXNNJRA-VLEAKVRGSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)O1 ZINC001095611474 782336203 /nfs/dbraw/zinc/33/62/03/782336203.db2.gz RJVLXYBJKPKCEG-NAWOPXAZSA-N 1 1 310.398 -1.088 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)O1 ZINC001095611474 782336210 /nfs/dbraw/zinc/33/62/10/782336210.db2.gz RJVLXYBJKPKCEG-NAWOPXAZSA-N 1 1 310.398 -1.088 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001095552819 782336404 /nfs/dbraw/zinc/33/64/04/782336404.db2.gz XRBYUIFAVIEWDY-KATARQTJSA-N 1 1 323.353 -1.948 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001095552819 782336414 /nfs/dbraw/zinc/33/64/14/782336414.db2.gz XRBYUIFAVIEWDY-KATARQTJSA-N 1 1 323.353 -1.948 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110967876 782340151 /nfs/dbraw/zinc/34/01/51/782340151.db2.gz IYARGZLNEGOEBO-MXWKQRLJSA-N 1 1 305.400 -1.231 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001110958000 782338810 /nfs/dbraw/zinc/33/88/10/782338810.db2.gz KFXVSDLBXMAIFW-KKOKHZNYSA-N 1 1 323.397 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001110958000 782338821 /nfs/dbraw/zinc/33/88/21/782338821.db2.gz KFXVSDLBXMAIFW-KKOKHZNYSA-N 1 1 323.397 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048768 782343121 /nfs/dbraw/zinc/34/31/21/782343121.db2.gz KCODCAWNZIGOOQ-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048768 782343128 /nfs/dbraw/zinc/34/31/28/782343128.db2.gz KCODCAWNZIGOOQ-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111076530 782345445 /nfs/dbraw/zinc/34/54/45/782345445.db2.gz LWGFLBFODABZOE-MXWKQRLJSA-N 1 1 320.415 -1.904 20 0 DAADMO NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151901 782348746 /nfs/dbraw/zinc/34/87/46/782348746.db2.gz MBBFKLMHKUFMLV-UPJWGTAASA-N 1 1 310.398 -1.085 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001098505848 782352364 /nfs/dbraw/zinc/35/23/64/782352364.db2.gz FGPFFAKLZMQLLQ-UHFFFAOYSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803399 782353027 /nfs/dbraw/zinc/35/30/27/782353027.db2.gz LNBRVPIEXTXALB-RCWTZXSCSA-N 1 1 315.395 -1.359 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803399 782353032 /nfs/dbraw/zinc/35/30/32/782353032.db2.gz LNBRVPIEXTXALB-RCWTZXSCSA-N 1 1 315.395 -1.359 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001111334357 782354309 /nfs/dbraw/zinc/35/43/09/782354309.db2.gz XPYRYFAGDPMNAP-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111374402 782355759 /nfs/dbraw/zinc/35/57/59/782355759.db2.gz LYPBHAQWBMKUOS-YTWAJWBKSA-N 1 1 310.354 -1.312 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111183256 782351560 /nfs/dbraw/zinc/35/15/60/782351560.db2.gz WEMYUSWJTKWEBE-KKOKHZNYSA-N 1 1 321.385 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111183256 782351569 /nfs/dbraw/zinc/35/15/69/782351569.db2.gz WEMYUSWJTKWEBE-KKOKHZNYSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001114502183 782358649 /nfs/dbraw/zinc/35/86/49/782358649.db2.gz PDYPBPCSLVHFMM-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001114502183 782358658 /nfs/dbraw/zinc/35/86/58/782358658.db2.gz PDYPBPCSLVHFMM-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC001114495922 782358706 /nfs/dbraw/zinc/35/87/06/782358706.db2.gz BAOPGFQGUYMTKI-VIKVFOODSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114504195 782358723 /nfs/dbraw/zinc/35/87/23/782358723.db2.gz CCYOHDZDUPRNBL-MTBHXBHISA-N 1 1 304.297 -1.840 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114504195 782358729 /nfs/dbraw/zinc/35/87/29/782358729.db2.gz CCYOHDZDUPRNBL-MTBHXBHISA-N 1 1 304.297 -1.840 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865753 782356768 /nfs/dbraw/zinc/35/67/68/782356768.db2.gz QDHUXHDDGMBRIL-USZNOCQGSA-N 1 1 323.397 -1.987 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865753 782356772 /nfs/dbraw/zinc/35/67/72/782356772.db2.gz QDHUXHDDGMBRIL-USZNOCQGSA-N 1 1 323.397 -1.987 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1CC ZINC001114495908 782359161 /nfs/dbraw/zinc/35/91/61/782359161.db2.gz AXJBLEXDUCLQBW-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1CC ZINC001114495908 782359170 /nfs/dbraw/zinc/35/91/70/782359170.db2.gz AXJBLEXDUCLQBW-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001095865477 782357032 /nfs/dbraw/zinc/35/70/32/782357032.db2.gz DIVMKKIFJFEFED-AGIUHOORSA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865754 782357050 /nfs/dbraw/zinc/35/70/50/782357050.db2.gz QDHUXHDDGMBRIL-WYUUTHIRSA-N 1 1 323.397 -1.987 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865754 782357059 /nfs/dbraw/zinc/35/70/59/782357059.db2.gz QDHUXHDDGMBRIL-WYUUTHIRSA-N 1 1 323.397 -1.987 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114524459 782361490 /nfs/dbraw/zinc/36/14/90/782361490.db2.gz VFHABOMRKJERKM-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114524459 782361502 /nfs/dbraw/zinc/36/15/02/782361502.db2.gz VFHABOMRKJERKM-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001114605080 782363369 /nfs/dbraw/zinc/36/33/69/782363369.db2.gz KCDSGBPPVBYBNP-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001114605080 782363377 /nfs/dbraw/zinc/36/33/77/782363377.db2.gz KCDSGBPPVBYBNP-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC001114589207 782362534 /nfs/dbraw/zinc/36/25/34/782362534.db2.gz FIBRCVOUZIJNMV-PUHVVEEASA-N 1 1 322.365 -1.552 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC001114589206 782363019 /nfs/dbraw/zinc/36/30/19/782363019.db2.gz FIBRCVOUZIJNMV-KZWBYHQPSA-N 1 1 322.365 -1.552 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114508932 782360195 /nfs/dbraw/zinc/36/01/95/782360195.db2.gz YCWKGDMREHLGCP-JIOCBJNQSA-N 1 1 316.308 -1.697 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114524461 782361134 /nfs/dbraw/zinc/36/11/34/782361134.db2.gz VFHABOMRKJERKM-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114524461 782361145 /nfs/dbraw/zinc/36/11/45/782361145.db2.gz VFHABOMRKJERKM-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114676517 782367104 /nfs/dbraw/zinc/36/71/04/782367104.db2.gz YPWIPDYYYPMTDB-LEQIOUOKSA-N 1 1 311.342 -2.261 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114676517 782367106 /nfs/dbraw/zinc/36/71/06/782367106.db2.gz YPWIPDYYYPMTDB-LEQIOUOKSA-N 1 1 311.342 -2.261 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114619295 782363475 /nfs/dbraw/zinc/36/34/75/782363475.db2.gz UCZNXYHUWKHPIP-UXCLJVHYSA-N 1 1 322.369 -2.108 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114619295 782363482 /nfs/dbraw/zinc/36/34/82/782363482.db2.gz UCZNXYHUWKHPIP-UXCLJVHYSA-N 1 1 322.369 -2.108 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114972686 782363512 /nfs/dbraw/zinc/36/35/12/782363512.db2.gz PSELGZMELDWQDZ-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114972686 782363518 /nfs/dbraw/zinc/36/35/18/782363518.db2.gz PSELGZMELDWQDZ-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114972082 782363582 /nfs/dbraw/zinc/36/35/82/782363582.db2.gz FDSQLNJACRSHQD-ZRUFSTJUSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001114601716 782363618 /nfs/dbraw/zinc/36/36/18/782363618.db2.gz FRDBMWOHHFZFMB-JIWZRMEJSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CNC(=O)C1 ZINC001114601716 782363628 /nfs/dbraw/zinc/36/36/28/782363628.db2.gz FRDBMWOHHFZFMB-JIWZRMEJSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114972687 782363773 /nfs/dbraw/zinc/36/37/73/782363773.db2.gz PSELGZMELDWQDZ-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114972687 782363781 /nfs/dbraw/zinc/36/37/81/782363781.db2.gz PSELGZMELDWQDZ-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114623822 782364543 /nfs/dbraw/zinc/36/45/43/782364543.db2.gz GFDGBJMENMUZRD-JZYVYDRUSA-N 1 1 308.379 -1.554 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001114623676 782364604 /nfs/dbraw/zinc/36/46/04/782364604.db2.gz CRRHGJVGWZHHNL-PJXYFTJBSA-N 1 1 316.427 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114624258 782365057 /nfs/dbraw/zinc/36/50/57/782365057.db2.gz OHVRNMLNXWUQAZ-WYOJIJJFSA-N 1 1 306.388 -2.533 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114642294 782365483 /nfs/dbraw/zinc/36/54/83/782365483.db2.gz VDNKEBKTXFZNEL-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114642294 782365493 /nfs/dbraw/zinc/36/54/93/782365493.db2.gz VDNKEBKTXFZNEL-QHOPCYEYSA-N 1 1 307.310 -1.082 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001114624759 782365658 /nfs/dbraw/zinc/36/56/58/782365658.db2.gz XXKLIHULODSGKU-UXCLJVHYSA-N 1 1 320.415 -1.879 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC001114624830 782365827 /nfs/dbraw/zinc/36/58/27/782365827.db2.gz YXTJEAHWNARBDL-ZGIPSRQNSA-N 1 1 322.818 -1.161 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114662493 782366083 /nfs/dbraw/zinc/36/60/83/782366083.db2.gz LFTOVHVPGPNEIJ-DCQANWLSSA-N 1 1 308.382 -1.305 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114662493 782366087 /nfs/dbraw/zinc/36/60/87/782366087.db2.gz LFTOVHVPGPNEIJ-DCQANWLSSA-N 1 1 308.382 -1.305 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC001114665821 782366280 /nfs/dbraw/zinc/36/62/80/782366280.db2.gz OTFUSCAPEFLZFY-SVDPJWKOSA-N 1 1 310.354 -1.207 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114661800 782366329 /nfs/dbraw/zinc/36/63/29/782366329.db2.gz YPEPYDPYIXFTAC-ODXREFDESA-N 1 1 321.341 -1.643 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114661800 782366333 /nfs/dbraw/zinc/36/63/33/782366333.db2.gz YPEPYDPYIXFTAC-ODXREFDESA-N 1 1 321.341 -1.643 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)n1 ZINC001114692405 782369282 /nfs/dbraw/zinc/36/92/82/782369282.db2.gz GUVGZPGLOJQZFQ-URLYPYJESA-N 1 1 319.369 -1.604 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695699 782369905 /nfs/dbraw/zinc/36/99/05/782369905.db2.gz JZEVVZBNJDXBHO-UKKRHICBSA-N 1 1 321.385 -1.215 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695699 782369914 /nfs/dbraw/zinc/36/99/14/782369914.db2.gz JZEVVZBNJDXBHO-UKKRHICBSA-N 1 1 321.385 -1.215 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695785 782370191 /nfs/dbraw/zinc/37/01/91/782370191.db2.gz LHUQGWVIBAGHFK-RULNZFCNSA-N 1 1 322.329 -2.547 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695785 782370198 /nfs/dbraw/zinc/37/01/98/782370198.db2.gz LHUQGWVIBAGHFK-RULNZFCNSA-N 1 1 322.329 -2.547 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695700 782370429 /nfs/dbraw/zinc/37/04/29/782370429.db2.gz JZEVVZBNJDXBHO-ZNSHCXBVSA-N 1 1 321.385 -1.215 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695700 782370442 /nfs/dbraw/zinc/37/04/42/782370442.db2.gz JZEVVZBNJDXBHO-ZNSHCXBVSA-N 1 1 321.385 -1.215 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114726902 782370873 /nfs/dbraw/zinc/37/08/73/782370873.db2.gz RAGUNCBNGOEEFT-CZXHOFHRSA-N 1 1 311.382 -1.338 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001114714810 782371416 /nfs/dbraw/zinc/37/14/16/782371416.db2.gz ZBLKPGXETUYRSH-CIQGVGRVSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114724882 782371438 /nfs/dbraw/zinc/37/14/38/782371438.db2.gz UXVHFXOCAMEYHY-IWIIMEHWSA-N 1 1 321.337 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114724882 782371448 /nfs/dbraw/zinc/37/14/48/782371448.db2.gz UXVHFXOCAMEYHY-IWIIMEHWSA-N 1 1 321.337 -1.281 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1C ZINC001114730720 782371561 /nfs/dbraw/zinc/37/15/61/782371561.db2.gz HWKDSYDUAXTKPQ-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1C ZINC001114730720 782371572 /nfs/dbraw/zinc/37/15/72/782371572.db2.gz HWKDSYDUAXTKPQ-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114753385 782373726 /nfs/dbraw/zinc/37/37/26/782373726.db2.gz VBCWILMMHAFWJC-MYJAWHEDSA-N 1 1 303.384 -1.657 20 0 DAADMO CCS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114753385 782373734 /nfs/dbraw/zinc/37/37/34/782373734.db2.gz VBCWILMMHAFWJC-MYJAWHEDSA-N 1 1 303.384 -1.657 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001114757726 782373877 /nfs/dbraw/zinc/37/38/77/782373877.db2.gz PDEFVTGJWVKBKF-PJXYFTJBSA-N 1 1 320.393 -1.079 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752712 782374077 /nfs/dbraw/zinc/37/40/77/782374077.db2.gz JZCOKVFGASXVDR-UKKRHICBSA-N 1 1 301.343 -2.458 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001114753568 782374131 /nfs/dbraw/zinc/37/41/31/782374131.db2.gz YGGCVECDEYQHNR-GDNZZTSVSA-N 1 1 306.370 -1.020 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001114757841 782374146 /nfs/dbraw/zinc/37/41/46/782374146.db2.gz RNXSIKLWTKBGTM-SVDPJWKOSA-N 1 1 310.354 -2.187 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001114757841 782374156 /nfs/dbraw/zinc/37/41/56/782374156.db2.gz RNXSIKLWTKBGTM-SVDPJWKOSA-N 1 1 310.354 -2.187 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114756814 782374467 /nfs/dbraw/zinc/37/44/67/782374467.db2.gz AAVRMVAITYQXEY-OHBODLIOSA-N 1 1 320.393 -1.035 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114755151 782374592 /nfs/dbraw/zinc/37/45/92/782374592.db2.gz LTZGAPVRXASAFS-IAZYJMLFSA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756096 782375239 /nfs/dbraw/zinc/37/52/39/782375239.db2.gz VEMOUJFUROEZOV-REIXXSIJSA-N 1 1 318.399 -2.025 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756096 782375250 /nfs/dbraw/zinc/37/52/50/782375250.db2.gz VEMOUJFUROEZOV-REIXXSIJSA-N 1 1 318.399 -2.025 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754565 782375581 /nfs/dbraw/zinc/37/55/81/782375581.db2.gz DIDDBASVNNYNMA-UKKRHICBSA-N 1 1 312.370 -1.941 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114766041 782375810 /nfs/dbraw/zinc/37/58/10/782375810.db2.gz QBBNHFZSUUNVLD-KXNHARMFSA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763921 782376348 /nfs/dbraw/zinc/37/63/48/782376348.db2.gz KJPNAAGNLDFARA-QMSLJYSESA-N 1 1 309.326 -2.507 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763921 782376360 /nfs/dbraw/zinc/37/63/60/782376360.db2.gz KJPNAAGNLDFARA-QMSLJYSESA-N 1 1 309.326 -2.507 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114764069 782376584 /nfs/dbraw/zinc/37/65/84/782376584.db2.gz MYDBRXRHNHISRU-IAZYJMLFSA-N 1 1 308.382 -1.223 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]c1=O ZINC001114772899 782377000 /nfs/dbraw/zinc/37/70/00/782377000.db2.gz VIDBYLMWLKUVBY-MTBHXBHISA-N 1 1 322.325 -2.019 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]c1=O ZINC001114772899 782377013 /nfs/dbraw/zinc/37/70/13/782377013.db2.gz VIDBYLMWLKUVBY-MTBHXBHISA-N 1 1 322.325 -2.019 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114778505 782377113 /nfs/dbraw/zinc/37/71/13/782377113.db2.gz LXSFPWYTFBERKU-YABSGUDNSA-N 1 1 323.397 -1.464 20 0 DAADMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114776614 782377485 /nfs/dbraw/zinc/37/74/85/782377485.db2.gz MACZZMQNKCTBHE-RFQIPJPRSA-N 1 1 321.381 -1.504 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114776614 782377496 /nfs/dbraw/zinc/37/74/96/782377496.db2.gz MACZZMQNKCTBHE-RFQIPJPRSA-N 1 1 321.381 -1.504 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114776614 782377501 /nfs/dbraw/zinc/37/75/01/782377501.db2.gz MACZZMQNKCTBHE-RFQIPJPRSA-N 1 1 321.381 -1.504 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787124 782377637 /nfs/dbraw/zinc/37/76/37/782377637.db2.gz LTZIAHDRIMNRBS-KPCSLPGQSA-N 1 1 310.289 -1.596 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787124 782377642 /nfs/dbraw/zinc/37/76/42/782377642.db2.gz LTZIAHDRIMNRBS-KPCSLPGQSA-N 1 1 310.289 -1.596 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787873 782377916 /nfs/dbraw/zinc/37/79/16/782377916.db2.gz YRYMGXFOVSKGFA-MTBHXBHISA-N 1 1 324.316 -1.336 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787873 782377925 /nfs/dbraw/zinc/37/79/25/782377925.db2.gz YRYMGXFOVSKGFA-MTBHXBHISA-N 1 1 324.316 -1.336 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001114745756 782372424 /nfs/dbraw/zinc/37/24/24/782372424.db2.gz FSOKULHGPQORJM-LOKLDPHHSA-N 1 1 318.324 -1.004 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741167 782372817 /nfs/dbraw/zinc/37/28/17/782372817.db2.gz JTQDZDLCZGUHCJ-WUWHUORYSA-N 1 1 321.381 -1.020 20 0 DAADMO C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)CS(C)(=O)=O ZINC001114753040 782373613 /nfs/dbraw/zinc/37/36/13/782373613.db2.gz PBLGYTINOXMOGV-IMSYWVGJSA-N 1 1 303.384 -1.801 20 0 DAADMO C[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)CS(C)(=O)=O ZINC001114753040 782373623 /nfs/dbraw/zinc/37/36/23/782373623.db2.gz PBLGYTINOXMOGV-IMSYWVGJSA-N 1 1 303.384 -1.801 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114831584 782379772 /nfs/dbraw/zinc/37/97/72/782379772.db2.gz CTPKKRSVJDMQOB-PUHVVEEASA-N 1 1 323.397 -1.431 20 0 DAADMO Cn1cc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(=O)n(C)c1=O ZINC001276321254 782380158 /nfs/dbraw/zinc/38/01/58/782380158.db2.gz CCLZNMFCKMBNHU-UHFFFAOYSA-N 1 1 321.425 -1.237 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC001114839973 782380622 /nfs/dbraw/zinc/38/06/22/782380622.db2.gz HLCLRKJQVIDQGV-KZVDOYCCSA-N 1 1 318.381 -1.317 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114837488 782380735 /nfs/dbraw/zinc/38/07/35/782380735.db2.gz GDPZATOEWCNQDS-FHUSYTEZSA-N 1 1 320.393 -1.320 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114839697 782381053 /nfs/dbraw/zinc/38/10/53/782381053.db2.gz FIBLMYXVVQRXTH-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114839697 782381056 /nfs/dbraw/zinc/38/10/56/782381056.db2.gz FIBLMYXVVQRXTH-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114842756 782381614 /nfs/dbraw/zinc/38/16/14/782381614.db2.gz APCLNAUFAIDSPH-RMRHIDDWSA-N 1 1 323.397 -1.199 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114894400 782387322 /nfs/dbraw/zinc/38/73/22/782387322.db2.gz FKHANAIHHUZZCL-VROVMSAKSA-N 1 1 319.387 -3.086 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114894400 782387332 /nfs/dbraw/zinc/38/73/32/782387332.db2.gz FKHANAIHHUZZCL-VROVMSAKSA-N 1 1 319.387 -3.086 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001114891752 782387375 /nfs/dbraw/zinc/38/73/75/782387375.db2.gz NRPNNBZOZXMMGB-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001114891752 782387384 /nfs/dbraw/zinc/38/73/84/782387384.db2.gz NRPNNBZOZXMMGB-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001114891869 782387425 /nfs/dbraw/zinc/38/74/25/782387425.db2.gz OVCVBTRWMVPQAB-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cscn1 ZINC001114932295 782388542 /nfs/dbraw/zinc/38/85/42/782388542.db2.gz IABWIKXNCVLMOB-GDGBQDQQSA-N 1 1 323.378 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cscn1 ZINC001114932295 782388549 /nfs/dbraw/zinc/38/85/49/782388549.db2.gz IABWIKXNCVLMOB-GDGBQDQQSA-N 1 1 323.378 -1.073 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)C(N)=O ZINC001114932907 782388725 /nfs/dbraw/zinc/38/87/25/782388725.db2.gz MFMQVNCSGMIDMT-KZVDOYCCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935813 782390990 /nfs/dbraw/zinc/39/09/90/782390990.db2.gz JEBYBBJSOABQON-REIXXSIJSA-N 1 1 305.338 -1.021 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935813 782390995 /nfs/dbraw/zinc/39/09/95/782390995.db2.gz JEBYBBJSOABQON-REIXXSIJSA-N 1 1 305.338 -1.021 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114978003 782383521 /nfs/dbraw/zinc/38/35/21/782383521.db2.gz MUEXZBKXEXXQQF-XZUYRWCXSA-N 1 1 312.370 -2.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 ZINC001114870617 782384972 /nfs/dbraw/zinc/38/49/72/782384972.db2.gz WVRYXBKMQKGGHP-YABSGUDNSA-N 1 1 317.349 -1.657 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 ZINC001114870617 782384978 /nfs/dbraw/zinc/38/49/78/782384978.db2.gz WVRYXBKMQKGGHP-YABSGUDNSA-N 1 1 317.349 -1.657 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114879514 782386407 /nfs/dbraw/zinc/38/64/07/782386407.db2.gz HDIDBPAQRGAPLJ-IAZYJMLFSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114879514 782386417 /nfs/dbraw/zinc/38/64/17/782386417.db2.gz HDIDBPAQRGAPLJ-IAZYJMLFSA-N 1 1 318.337 -1.408 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114889828 782386842 /nfs/dbraw/zinc/38/68/42/782386842.db2.gz ZFQBZTOHRKLPNM-QAHWYCSRSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114889828 782386851 /nfs/dbraw/zinc/38/68/51/782386851.db2.gz ZFQBZTOHRKLPNM-QAHWYCSRSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096188063 782407270 /nfs/dbraw/zinc/40/72/70/782407270.db2.gz XANFKZPCLRQZKH-ZNSHCXBVSA-N 1 1 310.354 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043707053 782402429 /nfs/dbraw/zinc/40/24/29/782402429.db2.gz CDXWFTWGSPRHJN-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043707054 782402726 /nfs/dbraw/zinc/40/27/26/782402726.db2.gz CDXWFTWGSPRHJN-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001047627698 782407345 /nfs/dbraw/zinc/40/73/45/782407345.db2.gz UTYOAPICWDYIIY-AGIUHOORSA-N 1 1 322.413 -1.230 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001095954270 782403658 /nfs/dbraw/zinc/40/36/58/782403658.db2.gz MJOXUGPOFUXVMT-WYUUTHIRSA-N 1 1 324.381 -1.824 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001095954270 782403662 /nfs/dbraw/zinc/40/36/62/782403662.db2.gz MJOXUGPOFUXVMT-WYUUTHIRSA-N 1 1 324.381 -1.824 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001095954568 782403929 /nfs/dbraw/zinc/40/39/29/782403929.db2.gz ZXPJLNPGBZSMLO-UTLUCORTSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001095957050 782403945 /nfs/dbraw/zinc/40/39/45/782403945.db2.gz OTSQUUHSAIVEPL-WYUUTHIRSA-N 1 1 307.354 -1.549 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024800 782404233 /nfs/dbraw/zinc/40/42/33/782404233.db2.gz RAJXKHIXXIIFON-GCHJQGSQSA-N 1 1 308.382 -1.083 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001096024800 782404238 /nfs/dbraw/zinc/40/42/38/782404238.db2.gz RAJXKHIXXIIFON-GCHJQGSQSA-N 1 1 308.382 -1.083 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001096097845 782405153 /nfs/dbraw/zinc/40/51/53/782405153.db2.gz MRPPPTDIVFAVFR-UTLUCORTSA-N 1 1 324.337 -1.879 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001096159901 782405537 /nfs/dbraw/zinc/40/55/37/782405537.db2.gz RCGNVFPPIXVCCK-SNXWAXQRSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001096159901 782405541 /nfs/dbraw/zinc/40/55/41/782405541.db2.gz RCGNVFPPIXVCCK-SNXWAXQRSA-N 1 1 322.365 -1.366 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C1CC2(C1)NC(=O)NC2=O ZINC001096150879 782405575 /nfs/dbraw/zinc/40/55/75/782405575.db2.gz UDWYGSISMXOZSX-PKYLAJCHSA-N 1 1 322.365 -1.312 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096183167 782405707 /nfs/dbraw/zinc/40/57/07/782405707.db2.gz SAMOMTKBFWOJDI-IMSYWVGJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096183167 782405714 /nfs/dbraw/zinc/40/57/14/782405714.db2.gz SAMOMTKBFWOJDI-IMSYWVGJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096188061 782406338 /nfs/dbraw/zinc/40/63/38/782406338.db2.gz XANFKZPCLRQZKH-VLEAKVRGSA-N 1 1 310.354 -1.360 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001047627123 782406463 /nfs/dbraw/zinc/40/64/63/782406463.db2.gz KVJDDQYVTXHDTB-XBFCOCLRSA-N 1 1 322.413 -1.230 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001047627109 782406597 /nfs/dbraw/zinc/40/65/97/782406597.db2.gz KBNDLRKNFXRSCQ-AVGNSLFASA-N 1 1 322.413 -1.230 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001047627660 782407064 /nfs/dbraw/zinc/40/70/64/782407064.db2.gz SUGORNWTDOSTQL-WOPDTQHZSA-N 1 1 323.401 -1.835 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096187030 782407124 /nfs/dbraw/zinc/40/71/24/782407124.db2.gz AKYKENMKSANOFH-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096187030 782407131 /nfs/dbraw/zinc/40/71/31/782407131.db2.gz AKYKENMKSANOFH-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001095948280 782400520 /nfs/dbraw/zinc/40/05/20/782400520.db2.gz URIPEOHGCQWTHY-KXNHARMFSA-N 1 1 319.369 -1.319 20 0 DAADMO CN(C(=O)c1cncc(C(N)=O)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047630818 782407951 /nfs/dbraw/zinc/40/79/51/782407951.db2.gz AXQGNCLYMKZJCF-STQMWFEESA-N 1 1 322.365 -1.320 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)nn1 ZINC001096609097 782413836 /nfs/dbraw/zinc/41/38/36/782413836.db2.gz IOSZAKKDHSTMLG-YWVKMMECSA-N 1 1 308.342 -1.909 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502167 782414031 /nfs/dbraw/zinc/41/40/31/782414031.db2.gz QLWWKCDBRUROFZ-JXUBOQSCSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502167 782414032 /nfs/dbraw/zinc/41/40/32/782414032.db2.gz QLWWKCDBRUROFZ-JXUBOQSCSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001096502594 782414496 /nfs/dbraw/zinc/41/44/96/782414496.db2.gz YVPWIPWBXLZNSM-VLEAKVRGSA-N 1 1 310.354 -1.360 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001096497321 782414981 /nfs/dbraw/zinc/41/49/81/782414981.db2.gz PRCWVNYGKHZRDV-NOOOWODRSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001096497321 782414982 /nfs/dbraw/zinc/41/49/82/782414982.db2.gz PRCWVNYGKHZRDV-NOOOWODRSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@H]1CCS(=O)(=O)N1 ZINC001096566269 782415018 /nfs/dbraw/zinc/41/50/18/782415018.db2.gz WFDYIRGPVOIXFL-WYUUTHIRSA-N 1 1 317.411 -1.218 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001096782072 782416480 /nfs/dbraw/zinc/41/64/80/782416480.db2.gz OFEILRVOPGSAQJ-WISYIIOYSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001096782072 782416484 /nfs/dbraw/zinc/41/64/84/782416484.db2.gz OFEILRVOPGSAQJ-WISYIIOYSA-N 1 1 319.369 -1.375 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001096779171 782416699 /nfs/dbraw/zinc/41/66/99/782416699.db2.gz SHFDMEJIOKOWEU-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001096779171 782416701 /nfs/dbraw/zinc/41/67/01/782416701.db2.gz SHFDMEJIOKOWEU-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232119 782421969 /nfs/dbraw/zinc/42/19/69/782421969.db2.gz GJYWIIFBCLPOCZ-LPWJVIDDSA-N 1 1 311.382 -1.053 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981756 782417671 /nfs/dbraw/zinc/41/76/71/782417671.db2.gz AKZAJCZGSCUWHD-ZDCRXTMVSA-N 1 1 322.369 -1.160 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096981756 782417678 /nfs/dbraw/zinc/41/76/78/782417678.db2.gz AKZAJCZGSCUWHD-ZDCRXTMVSA-N 1 1 322.369 -1.160 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001096968736 782417891 /nfs/dbraw/zinc/41/78/91/782417891.db2.gz RPZSPDFIRQHYOU-YIYPIFLZSA-N 1 1 322.409 -1.071 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001096968736 782417893 /nfs/dbraw/zinc/41/78/93/782417893.db2.gz RPZSPDFIRQHYOU-YIYPIFLZSA-N 1 1 322.409 -1.071 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982034 782418096 /nfs/dbraw/zinc/41/80/96/782418096.db2.gz NRXDZNVHIDDYAN-KYXWUPHJSA-N 1 1 308.342 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982034 782418098 /nfs/dbraw/zinc/41/80/98/782418098.db2.gz NRXDZNVHIDDYAN-KYXWUPHJSA-N 1 1 308.342 -1.421 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001097081906 782419196 /nfs/dbraw/zinc/41/91/96/782419196.db2.gz VIOUZJFLBQGQIG-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001097081906 782419202 /nfs/dbraw/zinc/41/92/02/782419202.db2.gz VIOUZJFLBQGQIG-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)n1 ZINC001097106022 782419970 /nfs/dbraw/zinc/41/99/70/782419970.db2.gz NAPLGXMZDWBBAW-MXWKQRLJSA-N 1 1 322.369 -1.519 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081480 782420316 /nfs/dbraw/zinc/42/03/16/782420316.db2.gz CTWRXFWFYJKZJE-QCNOEVLYSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081480 782420324 /nfs/dbraw/zinc/42/03/24/782420324.db2.gz CTWRXFWFYJKZJE-QCNOEVLYSA-N 1 1 321.385 -1.129 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097379356 782420826 /nfs/dbraw/zinc/42/08/26/782420826.db2.gz VPMYNTWLLDWNAV-MXWKQRLJSA-N 1 1 322.369 -1.951 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097379356 782420834 /nfs/dbraw/zinc/42/08/34/782420834.db2.gz VPMYNTWLLDWNAV-MXWKQRLJSA-N 1 1 322.369 -1.951 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001097373766 782421063 /nfs/dbraw/zinc/42/10/63/782421063.db2.gz WHISCICQPIGBST-DGAVXFQQSA-N 1 1 324.425 -1.137 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2ncccn2)CC1 ZINC001098509639 782415936 /nfs/dbraw/zinc/41/59/36/782415936.db2.gz VCJLPBVQRJXYJB-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001097667525 782423571 /nfs/dbraw/zinc/42/35/71/782423571.db2.gz QRJGPFBFMVYZCX-ZNSHCXBVSA-N 1 1 319.369 -1.176 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001097667525 782423579 /nfs/dbraw/zinc/42/35/79/782423579.db2.gz QRJGPFBFMVYZCX-ZNSHCXBVSA-N 1 1 319.369 -1.176 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097643030 782423714 /nfs/dbraw/zinc/42/37/14/782423714.db2.gz UKVDLVDVCZBLDF-LPWJVIDDSA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001097564881 782424642 /nfs/dbraw/zinc/42/46/42/782424642.db2.gz WSLJMFQMEIIBNT-XNDJQWLSSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001097564881 782424648 /nfs/dbraw/zinc/42/46/48/782424648.db2.gz WSLJMFQMEIIBNT-XNDJQWLSSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738818 782425279 /nfs/dbraw/zinc/42/52/79/782425279.db2.gz JEBYBBJSOABQON-CDLYGTGVSA-N 1 1 305.338 -1.021 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738818 782425287 /nfs/dbraw/zinc/42/52/87/782425287.db2.gz JEBYBBJSOABQON-CDLYGTGVSA-N 1 1 305.338 -1.021 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768753 782426736 /nfs/dbraw/zinc/42/67/36/782426736.db2.gz RTBDPLRHICRFAL-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768753 782426744 /nfs/dbraw/zinc/42/67/44/782426744.db2.gz RTBDPLRHICRFAL-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768751 782427029 /nfs/dbraw/zinc/42/70/29/782427029.db2.gz RTBDPLRHICRFAL-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768751 782427037 /nfs/dbraw/zinc/42/70/37/782427037.db2.gz RTBDPLRHICRFAL-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098055893 782433664 /nfs/dbraw/zinc/43/36/64/782433664.db2.gz XANFKZPCLRQZKH-DBIOUOCHSA-N 1 1 310.354 -1.360 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)nnn1C ZINC001069905493 782435213 /nfs/dbraw/zinc/43/52/13/782435213.db2.gz ZYFJJSIOHCXVFR-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)nnn1C ZINC001069905493 782435217 /nfs/dbraw/zinc/43/52/17/782435217.db2.gz ZYFJJSIOHCXVFR-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069911802 782436751 /nfs/dbraw/zinc/43/67/51/782436751.db2.gz UHLFCESFEJNCQJ-OLZOCXBDSA-N 1 1 308.386 -1.028 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069912014 782437361 /nfs/dbraw/zinc/43/73/61/782437361.db2.gz IQUYICNNNGFGMA-FRRDWIJNSA-N 1 1 324.385 -2.058 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069912014 782437365 /nfs/dbraw/zinc/43/73/65/782437365.db2.gz IQUYICNNNGFGMA-FRRDWIJNSA-N 1 1 324.385 -2.058 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343848 782439503 /nfs/dbraw/zinc/43/95/03/782439503.db2.gz QLWWKCDBRUROFZ-JLIMGVALSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343848 782439512 /nfs/dbraw/zinc/43/95/12/782439512.db2.gz QLWWKCDBRUROFZ-JLIMGVALSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001098208069 782440062 /nfs/dbraw/zinc/44/00/62/782440062.db2.gz DMOPRQCMAGDEGX-KKOKHZNYSA-N 1 1 324.381 -1.017 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098667420 782443406 /nfs/dbraw/zinc/44/34/06/782443406.db2.gz YZYAXJSWMIIGSZ-WDEREUQCSA-N 1 1 324.341 -1.758 20 0 DAADMO COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(C)=O)C2)nn1 ZINC001098601656 782443958 /nfs/dbraw/zinc/44/39/58/782443958.db2.gz TYWWNTSQMQXBKY-ZDUSSCGKSA-N 1 1 324.385 -1.076 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001098522983 782444517 /nfs/dbraw/zinc/44/45/17/782444517.db2.gz KMQGFFVLLFRJFG-DBIOUOCHSA-N 1 1 322.365 -1.493 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001098522983 782444523 /nfs/dbraw/zinc/44/45/23/782444523.db2.gz KMQGFFVLLFRJFG-DBIOUOCHSA-N 1 1 322.365 -1.493 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001099607481 782453643 /nfs/dbraw/zinc/45/36/43/782453643.db2.gz NESBIDQTDNOSTB-RYUDHWBXSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099613338 782453855 /nfs/dbraw/zinc/45/38/55/782453855.db2.gz HINUHRYWFDWHCU-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001098815152 782445534 /nfs/dbraw/zinc/44/55/34/782445534.db2.gz DKQZIWBIEQRPSA-RBZYPMLTSA-N 1 1 310.354 -1.189 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001098815152 782445538 /nfs/dbraw/zinc/44/55/38/782445538.db2.gz DKQZIWBIEQRPSA-RBZYPMLTSA-N 1 1 310.354 -1.189 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098746890 782445554 /nfs/dbraw/zinc/44/55/54/782445554.db2.gz ZIIYSUKWOXVQON-GFCCVEGCSA-N 1 1 324.385 -1.388 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001098720953 782445574 /nfs/dbraw/zinc/44/55/74/782445574.db2.gz VMHRYUKGIQDBSG-WDMOLILDSA-N 1 1 319.369 -1.468 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001098815148 782445817 /nfs/dbraw/zinc/44/58/17/782445817.db2.gz DKQZIWBIEQRPSA-BHDSKKPTSA-N 1 1 310.354 -1.189 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001098815148 782445821 /nfs/dbraw/zinc/44/58/21/782445821.db2.gz DKQZIWBIEQRPSA-BHDSKKPTSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098767184 782445887 /nfs/dbraw/zinc/44/58/87/782445887.db2.gz KNERMQGIEQCXGZ-NSHDSACASA-N 1 1 320.357 -1.506 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098839358 782445928 /nfs/dbraw/zinc/44/59/28/782445928.db2.gz MDDUYYAYSVRHIF-SUNKGSAMSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098839009 782446432 /nfs/dbraw/zinc/44/64/32/782446432.db2.gz IAWOQBQJDQGZMV-WDMOLILDSA-N 1 1 321.385 -1.092 20 0 DAADMO O=C(c1cnon1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098752418 782446518 /nfs/dbraw/zinc/44/65/18/782446518.db2.gz XZHPKYIFEUIRCQ-JTQLQIEISA-N 1 1 307.314 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098723401 782446550 /nfs/dbraw/zinc/44/65/50/782446550.db2.gz JIRGIFTZJIHOKP-SUNKGSAMSA-N 1 1 321.385 -1.222 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001098773348 782446720 /nfs/dbraw/zinc/44/67/20/782446720.db2.gz FNKNUELGIAWMSI-HUBLWGQQSA-N 1 1 310.398 -1.227 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001098773348 782446724 /nfs/dbraw/zinc/44/67/24/782446724.db2.gz FNKNUELGIAWMSI-HUBLWGQQSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098706135 782446811 /nfs/dbraw/zinc/44/68/11/782446811.db2.gz SHVNVZHXJQFMBZ-MNOVXSKESA-N 1 1 323.357 -2.185 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098836284 782446826 /nfs/dbraw/zinc/44/68/26/782446826.db2.gz AUUYDJMYXIEMAP-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098727974 782446865 /nfs/dbraw/zinc/44/68/65/782446865.db2.gz KKJIBMIPTZNYIS-UTUOFQBUSA-N 1 1 322.369 -1.745 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098982343 782447372 /nfs/dbraw/zinc/44/73/72/782447372.db2.gz WJOVMKCMKVVOQI-BHDSKKPTSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098982343 782447380 /nfs/dbraw/zinc/44/73/80/782447380.db2.gz WJOVMKCMKVVOQI-BHDSKKPTSA-N 1 1 321.385 -1.071 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1=O ZINC001098982931 782447430 /nfs/dbraw/zinc/44/74/30/782447430.db2.gz AKTQSGXHNPHVAL-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1=O ZINC001098982931 782447434 /nfs/dbraw/zinc/44/74/34/782447434.db2.gz AKTQSGXHNPHVAL-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001099009360 782447457 /nfs/dbraw/zinc/44/74/57/782447457.db2.gz CDCWKMKAQQWTEB-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001098887017 782447529 /nfs/dbraw/zinc/44/75/29/782447529.db2.gz KOKGKRVFNARHBC-RWSFTLGLSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001098887017 782447534 /nfs/dbraw/zinc/44/75/34/782447534.db2.gz KOKGKRVFNARHBC-RWSFTLGLSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001099009166 782447928 /nfs/dbraw/zinc/44/79/28/782447928.db2.gz TUIYOZYLICBYBZ-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001099005679 782448243 /nfs/dbraw/zinc/44/82/43/782448243.db2.gz AEHNCKWGOGRVLN-QIBSRJKCSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001098887016 782448365 /nfs/dbraw/zinc/44/83/65/782448365.db2.gz KOKGKRVFNARHBC-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCNC2=O)C1 ZINC001098887016 782448370 /nfs/dbraw/zinc/44/83/70/782448370.db2.gz KOKGKRVFNARHBC-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001098871331 782448502 /nfs/dbraw/zinc/44/85/02/782448502.db2.gz GUPPLFXYTOIIND-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001098871331 782448511 /nfs/dbraw/zinc/44/85/11/782448511.db2.gz GUPPLFXYTOIIND-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001098928410 782448553 /nfs/dbraw/zinc/44/85/53/782448553.db2.gz JNCJRLFISSIUES-NHYWBVRUSA-N 1 1 322.365 -1.088 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001099056782 782448586 /nfs/dbraw/zinc/44/85/86/782448586.db2.gz CYULVMCDDIPTPG-FZNYLWTLSA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001099056782 782448590 /nfs/dbraw/zinc/44/85/90/782448590.db2.gz CYULVMCDDIPTPG-FZNYLWTLSA-N 1 1 323.353 -1.960 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001098881408 782448672 /nfs/dbraw/zinc/44/86/72/782448672.db2.gz MSEWJWNAPRQSLZ-BHDSKKPTSA-N 1 1 310.354 -1.453 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 ZINC001098876796 782448736 /nfs/dbraw/zinc/44/87/36/782448736.db2.gz WVHDWNOSDHPEKS-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 ZINC001098876796 782448749 /nfs/dbraw/zinc/44/87/49/782448749.db2.gz WVHDWNOSDHPEKS-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCNC2=O)C3)n1 ZINC001098976323 782448766 /nfs/dbraw/zinc/44/87/66/782448766.db2.gz MNNKREHBSZUDFT-BHDSKKPTSA-N 1 1 319.369 -1.317 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C(F)(F)F ZINC001099331137 782450435 /nfs/dbraw/zinc/45/04/35/782450435.db2.gz BPAZKFJWPJMAFE-RNFRBKRXSA-N 1 1 320.275 -1.189 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001099247119 782450598 /nfs/dbraw/zinc/45/05/98/782450598.db2.gz SSYSYWDROYGSSU-FSDSQADBSA-N 1 1 324.259 -1.441 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C(F)(F)F ZINC001099300980 782450610 /nfs/dbraw/zinc/45/06/10/782450610.db2.gz XVZBCWVZCZNFCZ-RNFRBKRXSA-N 1 1 322.287 -1.284 20 0 DAADMO NC(=O)C(=O)NCc1cccc(-n2cc(C[NH2+]CCO)nn2)c1 ZINC001099605121 782452190 /nfs/dbraw/zinc/45/21/90/782452190.db2.gz LRLGWBRYZRWHID-UHFFFAOYSA-N 1 1 318.337 -1.549 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(N)=O)C1 ZINC001099402119 782452230 /nfs/dbraw/zinc/45/22/30/782452230.db2.gz QJHALGAEFKSKLQ-BJDJZHNGSA-N 1 1 323.397 -1.431 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001099613104 782452989 /nfs/dbraw/zinc/45/29/89/782452989.db2.gz DUXNSAGVHMNPLJ-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099629616 782456967 /nfs/dbraw/zinc/45/69/67/782456967.db2.gz FNEGCIKUOXFTHX-VXGBXAGGSA-N 1 1 303.359 -2.317 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099632646 782459202 /nfs/dbraw/zinc/45/92/02/782459202.db2.gz HJPVZUITAWBNQD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099632646 782459210 /nfs/dbraw/zinc/45/92/10/782459210.db2.gz HJPVZUITAWBNQD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645221 782461283 /nfs/dbraw/zinc/46/12/83/782461283.db2.gz NYUXPOOQPUWHDJ-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001099666521 782467619 /nfs/dbraw/zinc/46/76/19/782467619.db2.gz XZLLGOCXACDVBO-RYUDHWBXSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001099666521 782467630 /nfs/dbraw/zinc/46/76/30/782467630.db2.gz XZLLGOCXACDVBO-RYUDHWBXSA-N 1 1 307.354 -1.199 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099663889 782463795 /nfs/dbraw/zinc/46/37/95/782463795.db2.gz VFCNRVMBDWWXEJ-QWHCGFSZSA-N 1 1 312.370 -1.557 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099665218 782463848 /nfs/dbraw/zinc/46/38/48/782463848.db2.gz CSIRHKBCBPVHJR-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099665218 782463850 /nfs/dbraw/zinc/46/38/50/782463850.db2.gz CSIRHKBCBPVHJR-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666236 782464891 /nfs/dbraw/zinc/46/48/91/782464891.db2.gz RYSJCODGRAPLKK-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666236 782464895 /nfs/dbraw/zinc/46/48/95/782464895.db2.gz RYSJCODGRAPLKK-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001099665996 782465265 /nfs/dbraw/zinc/46/52/65/782465265.db2.gz OHNDLNOQQATPRD-NWDGAFQWSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001099665996 782465272 /nfs/dbraw/zinc/46/52/72/782465272.db2.gz OHNDLNOQQATPRD-NWDGAFQWSA-N 1 1 307.354 -1.199 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)ncn1 ZINC001099666274 782465799 /nfs/dbraw/zinc/46/57/99/782465799.db2.gz SQFFPKPNLFWSBO-VXGBXAGGSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)ncn1 ZINC001099666274 782465804 /nfs/dbraw/zinc/46/58/04/782465804.db2.gz SQFFPKPNLFWSBO-VXGBXAGGSA-N 1 1 322.369 -1.495 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001099669714 782466886 /nfs/dbraw/zinc/46/68/86/782466886.db2.gz WWTTZZQQBCEEAG-UWVGGRQHSA-N 1 1 313.383 -1.137 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001099669714 782466893 /nfs/dbraw/zinc/46/68/93/782466893.db2.gz WWTTZZQQBCEEAG-UWVGGRQHSA-N 1 1 313.383 -1.137 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001099669713 782467026 /nfs/dbraw/zinc/46/70/26/782467026.db2.gz WWTTZZQQBCEEAG-NXEZZACHSA-N 1 1 313.383 -1.137 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001099669713 782467034 /nfs/dbraw/zinc/46/70/34/782467034.db2.gz WWTTZZQQBCEEAG-NXEZZACHSA-N 1 1 313.383 -1.137 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678545 782467090 /nfs/dbraw/zinc/46/70/90/782467090.db2.gz MFELNJWCIKRWGG-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678545 782467096 /nfs/dbraw/zinc/46/70/96/782467096.db2.gz MFELNJWCIKRWGG-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651900 782463024 /nfs/dbraw/zinc/46/30/24/782463024.db2.gz XGJQARWVJCVKAB-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099663099 782463224 /nfs/dbraw/zinc/46/32/24/782463224.db2.gz JAXUCCOVTDRQSF-QWHCGFSZSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099663099 782463231 /nfs/dbraw/zinc/46/32/31/782463231.db2.gz JAXUCCOVTDRQSF-QWHCGFSZSA-N 1 1 323.397 -1.041 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099663888 782463322 /nfs/dbraw/zinc/46/33/22/782463322.db2.gz VFCNRVMBDWWXEJ-OLZOCXBDSA-N 1 1 312.370 -1.557 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099665217 782463383 /nfs/dbraw/zinc/46/33/83/782463383.db2.gz CSIRHKBCBPVHJR-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099665217 782463390 /nfs/dbraw/zinc/46/33/90/782463390.db2.gz CSIRHKBCBPVHJR-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099730438 782473864 /nfs/dbraw/zinc/47/38/64/782473864.db2.gz VBKQJWGOSQICNY-CHWSQXEVSA-N 1 1 304.387 -1.028 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)[nH]1 ZINC001099728022 782473940 /nfs/dbraw/zinc/47/39/40/782473940.db2.gz URVXCHXZXBZADD-WCQYABFASA-N 1 1 312.370 -1.108 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001099741347 782474994 /nfs/dbraw/zinc/47/49/94/782474994.db2.gz RORANVJBMGDXLJ-MNOVXSKESA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001099741347 782474997 /nfs/dbraw/zinc/47/49/97/782474997.db2.gz RORANVJBMGDXLJ-MNOVXSKESA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc1=O ZINC001099743398 782475025 /nfs/dbraw/zinc/47/50/25/782475025.db2.gz JATYLEAUJFQVGQ-NEPJUHHUSA-N 1 1 322.365 -1.688 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099740736 782475198 /nfs/dbraw/zinc/47/51/98/782475198.db2.gz IUKZPEMLWRUOBL-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666461 782467854 /nfs/dbraw/zinc/46/78/54/782467854.db2.gz WLSGOHBTTANZDV-IUCAKERBSA-N 1 1 301.347 -2.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666461 782467863 /nfs/dbraw/zinc/46/78/63/782467863.db2.gz WLSGOHBTTANZDV-IUCAKERBSA-N 1 1 301.347 -2.706 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099669109 782467875 /nfs/dbraw/zinc/46/78/75/782467875.db2.gz MSLVJNYDCOASCF-NXEZZACHSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099669109 782467879 /nfs/dbraw/zinc/46/78/79/782467879.db2.gz MSLVJNYDCOASCF-NXEZZACHSA-N 1 1 311.342 -1.297 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099689592 782468740 /nfs/dbraw/zinc/46/87/40/782468740.db2.gz HBKIGIXCYYSBGK-STQMWFEESA-N 1 1 324.385 -1.692 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099690895 782468955 /nfs/dbraw/zinc/46/89/55/782468955.db2.gz WOYABHVPTBKKRB-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099690895 782468963 /nfs/dbraw/zinc/46/89/63/782468963.db2.gz WOYABHVPTBKKRB-KBPBESRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684436 782469306 /nfs/dbraw/zinc/46/93/06/782469306.db2.gz RPRNIIGNEAVQNO-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@H](O)C1 ZINC001099684436 782469309 /nfs/dbraw/zinc/46/93/09/782469309.db2.gz RPRNIIGNEAVQNO-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CCCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099715956 782471540 /nfs/dbraw/zinc/47/15/40/782471540.db2.gz NUAGDKKJYAGFGL-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099708169 782471691 /nfs/dbraw/zinc/47/16/91/782471691.db2.gz YUYHSRBRJPMGNJ-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099704867 782471768 /nfs/dbraw/zinc/47/17/68/782471768.db2.gz RQEGUIZCIAHLJQ-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099704867 782471771 /nfs/dbraw/zinc/47/17/71/782471771.db2.gz RQEGUIZCIAHLJQ-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CCCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099715957 782471944 /nfs/dbraw/zinc/47/19/44/782471944.db2.gz NUAGDKKJYAGFGL-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099737855 782473038 /nfs/dbraw/zinc/47/30/38/782473038.db2.gz FICCYENRQDSEOO-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099737855 782473047 /nfs/dbraw/zinc/47/30/47/782473047.db2.gz FICCYENRQDSEOO-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(C)OCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099730441 782473097 /nfs/dbraw/zinc/47/30/97/782473097.db2.gz VBKQJWGOSQICNY-STQMWFEESA-N 1 1 304.387 -1.028 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760823 782480826 /nfs/dbraw/zinc/48/08/26/782480826.db2.gz ONRDAUSQBJSYSI-PWSUYJOCSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760823 782480831 /nfs/dbraw/zinc/48/08/31/782480831.db2.gz ONRDAUSQBJSYSI-PWSUYJOCSA-N 1 1 307.354 -1.288 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099777805 782481047 /nfs/dbraw/zinc/48/10/47/782481047.db2.gz CMZJWMCYJURUAP-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099777806 782481303 /nfs/dbraw/zinc/48/13/03/782481303.db2.gz CMZJWMCYJURUAP-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001099744507 782477056 /nfs/dbraw/zinc/47/70/56/782477056.db2.gz VAEFIEZRQUJZGG-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001099744507 782477061 /nfs/dbraw/zinc/47/70/61/782477061.db2.gz VAEFIEZRQUJZGG-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099758142 782478351 /nfs/dbraw/zinc/47/83/51/782478351.db2.gz OVOCSPXWULVKDO-NEPJUHHUSA-N 1 1 324.385 -1.678 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001099758515 782479303 /nfs/dbraw/zinc/47/93/03/782479303.db2.gz UIHAWYBQUDHWRP-OLZOCXBDSA-N 1 1 323.397 -1.128 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1=CCOCC1 ZINC001099787592 782483144 /nfs/dbraw/zinc/48/31/44/782483144.db2.gz YEMIXVITFGDRDE-UONOGXRCSA-N 1 1 314.382 -1.107 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099791536 782484357 /nfs/dbraw/zinc/48/43/57/782484357.db2.gz GQQDKMPMARZGOV-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099791536 782484364 /nfs/dbraw/zinc/48/43/64/782484364.db2.gz GQQDKMPMARZGOV-RYUDHWBXSA-N 1 1 309.370 -1.392 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cnn1 ZINC001099791863 782484527 /nfs/dbraw/zinc/48/45/27/782484527.db2.gz LQEXYRMEZCMJBJ-KGLIPLIRSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099791984 782484982 /nfs/dbraw/zinc/48/49/82/782484982.db2.gz NJURCITWZIFYLD-QWRGUYRKSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099791984 782484987 /nfs/dbraw/zinc/48/49/87/782484987.db2.gz NJURCITWZIFYLD-QWRGUYRKSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099792354 782487163 /nfs/dbraw/zinc/48/71/63/782487163.db2.gz SVJKDHWSTHBSQO-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099792354 782487168 /nfs/dbraw/zinc/48/71/68/782487168.db2.gz SVJKDHWSTHBSQO-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099791343 782485596 /nfs/dbraw/zinc/48/55/96/782485596.db2.gz DBBLFQSXSNITPE-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099796480 782486502 /nfs/dbraw/zinc/48/65/02/782486502.db2.gz DHOZAYFOFDVUKS-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099796612 782489061 /nfs/dbraw/zinc/48/90/61/782489061.db2.gz GUCNPLCIARJYLI-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099800150 782488261 /nfs/dbraw/zinc/48/82/61/782488261.db2.gz YKFYCCKVHGSBQK-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099800150 782488263 /nfs/dbraw/zinc/48/82/63/782488263.db2.gz YKFYCCKVHGSBQK-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099796791 782488457 /nfs/dbraw/zinc/48/84/57/782488457.db2.gz JBCAJQSHHSWLSD-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099801826 782488548 /nfs/dbraw/zinc/48/85/48/782488548.db2.gz KTFSPBRAVUQMJJ-QWRGUYRKSA-N 1 1 313.358 -2.011 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001099802228 782491208 /nfs/dbraw/zinc/49/12/08/782491208.db2.gz RFSRJADSTLWOSU-CMPLNLGQSA-N 1 1 313.358 -2.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809276 782491372 /nfs/dbraw/zinc/49/13/72/782491372.db2.gz FIXPHTXQOQVQGW-QWRGUYRKSA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809276 782491377 /nfs/dbraw/zinc/49/13/77/782491377.db2.gz FIXPHTXQOQVQGW-QWRGUYRKSA-N 1 1 301.387 -1.213 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001099802231 782491405 /nfs/dbraw/zinc/49/14/05/782491405.db2.gz RFSRJADSTLWOSU-ZYHUDNBSSA-N 1 1 313.358 -2.011 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099832138 782495116 /nfs/dbraw/zinc/49/51/16/782495116.db2.gz BWVHHCKTLVISCI-RYUDHWBXSA-N 1 1 314.386 -1.665 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099833053 782495169 /nfs/dbraw/zinc/49/51/69/782495169.db2.gz QOFMSTYRRCGXOK-MNOVXSKESA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099845330 782497590 /nfs/dbraw/zinc/49/75/90/782497590.db2.gz VSLNXVVORSYUMX-NEPJUHHUSA-N 1 1 313.358 -2.162 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099840628 782495969 /nfs/dbraw/zinc/49/59/69/782495969.db2.gz DZIXGPQDHZMVFR-STQMWFEESA-N 1 1 322.365 -1.645 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099845464 782495996 /nfs/dbraw/zinc/49/59/96/782495996.db2.gz XRCNKVPSJXVNON-RYUDHWBXSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099845464 782496005 /nfs/dbraw/zinc/49/60/05/782496005.db2.gz XRCNKVPSJXVNON-RYUDHWBXSA-N 1 1 324.385 -1.646 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099841286 782497339 /nfs/dbraw/zinc/49/73/39/782497339.db2.gz JNVJDAVGYWMZGP-QWRGUYRKSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]2O)CC1 ZINC001099841286 782497344 /nfs/dbraw/zinc/49/73/44/782497344.db2.gz JNVJDAVGYWMZGP-QWRGUYRKSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099811464 782492829 /nfs/dbraw/zinc/49/28/29/782492829.db2.gz ZGTQRLHNLDNXJI-RYUDHWBXSA-N 1 1 311.386 -1.010 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099812732 782493201 /nfs/dbraw/zinc/49/32/01/782493201.db2.gz HDTXKUUXORHPQG-QWRGUYRKSA-N 1 1 302.375 -1.761 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824437 782493305 /nfs/dbraw/zinc/49/33/05/782493305.db2.gz SYZUKBBUGQQJSA-NWDGAFQWSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824437 782493311 /nfs/dbraw/zinc/49/33/11/782493311.db2.gz SYZUKBBUGQQJSA-NWDGAFQWSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099814040 782493391 /nfs/dbraw/zinc/49/33/91/782493391.db2.gz YNURMSISBQXDHI-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](O)C1 ZINC001099833443 782494648 /nfs/dbraw/zinc/49/46/48/782494648.db2.gz WDLLVLKWFDHKHO-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860350 782498957 /nfs/dbraw/zinc/49/89/57/782498957.db2.gz AHGJWKWKCWVOPX-QWRGUYRKSA-N 1 1 307.416 -1.162 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099860811 782500964 /nfs/dbraw/zinc/50/09/64/782500964.db2.gz IJDIHFDGTIPTCM-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099862758 782501290 /nfs/dbraw/zinc/50/12/90/782501290.db2.gz ATQJXHNVZMABLJ-RYUDHWBXSA-N 1 1 317.386 -1.927 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099863229 782501307 /nfs/dbraw/zinc/50/13/07/782501307.db2.gz KISWTOHUBNSDGN-MNOVXSKESA-N 1 1 305.350 -1.388 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099863229 782501320 /nfs/dbraw/zinc/50/13/20/782501320.db2.gz KISWTOHUBNSDGN-MNOVXSKESA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099857954 782499163 /nfs/dbraw/zinc/49/91/63/782499163.db2.gz FKWJDBFBWOVEGV-NXEZZACHSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099857954 782499169 /nfs/dbraw/zinc/49/91/69/782499169.db2.gz FKWJDBFBWOVEGV-NXEZZACHSA-N 1 1 315.374 -2.445 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099860485 782499471 /nfs/dbraw/zinc/49/94/71/782499471.db2.gz CMOPCAKLZQYRCN-MNOVXSKESA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099857951 782499723 /nfs/dbraw/zinc/49/97/23/782499723.db2.gz FKTYWEKRYQTGJG-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099857951 782499735 /nfs/dbraw/zinc/49/97/35/782499735.db2.gz FKTYWEKRYQTGJG-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099860487 782499755 /nfs/dbraw/zinc/49/97/55/782499755.db2.gz CMOPCAKLZQYRCN-WDEREUQCSA-N 1 1 307.416 -1.115 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099863120 782500293 /nfs/dbraw/zinc/50/02/93/782500293.db2.gz IPZRWYIRFTYHTK-NEPJUHHUSA-N 1 1 317.386 -1.975 20 0 DAADMO O=C(CCCn1ccnn1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099869275 782503316 /nfs/dbraw/zinc/50/33/16/782503316.db2.gz MOVALNYFWBSGJL-OLZOCXBDSA-N 1 1 311.386 -1.008 20 0 DAADMO O=C(CCCn1ccnn1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099869274 782503539 /nfs/dbraw/zinc/50/35/39/782503539.db2.gz MOVALNYFWBSGJL-CHWSQXEVSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880138 782503647 /nfs/dbraw/zinc/50/36/47/782503647.db2.gz VXFLSSBNDQFWBL-QWHCGFSZSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C2)cn1 ZINC001099881587 782503702 /nfs/dbraw/zinc/50/37/02/782503702.db2.gz DXMZIICUXLMGOP-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C2)cn1 ZINC001099881587 782503709 /nfs/dbraw/zinc/50/37/09/782503709.db2.gz DXMZIICUXLMGOP-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099865066 782504302 /nfs/dbraw/zinc/50/43/02/782504302.db2.gz YKHGLGBMIFYWPT-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099883229 782504739 /nfs/dbraw/zinc/50/47/39/782504739.db2.gz YNMFVKQINRXXSO-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099883229 782504744 /nfs/dbraw/zinc/50/47/44/782504744.db2.gz YNMFVKQINRXXSO-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099863231 782501914 /nfs/dbraw/zinc/50/19/14/782501914.db2.gz KISWTOHUBNSDGN-WDEREUQCSA-N 1 1 305.350 -1.388 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099863231 782501918 /nfs/dbraw/zinc/50/19/18/782501918.db2.gz KISWTOHUBNSDGN-WDEREUQCSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099862998 782501929 /nfs/dbraw/zinc/50/19/29/782501929.db2.gz GXVHBZRPEWBNIS-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099862756 782502083 /nfs/dbraw/zinc/50/20/83/782502083.db2.gz ATQJXHNVZMABLJ-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099888650 782505852 /nfs/dbraw/zinc/50/58/52/782505852.db2.gz YAFMIIVULPMHBV-GHMZBOCLSA-N 1 1 324.385 -1.659 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887316 782506785 /nfs/dbraw/zinc/50/67/85/782506785.db2.gz CMOYVUVEGWIUTD-VHSXEESVSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887316 782506788 /nfs/dbraw/zinc/50/67/88/782506788.db2.gz CMOYVUVEGWIUTD-VHSXEESVSA-N 1 1 314.386 -1.863 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901374 782509027 /nfs/dbraw/zinc/50/90/27/782509027.db2.gz ILSIWQCWUNBKML-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099903595 782509820 /nfs/dbraw/zinc/50/98/20/782509820.db2.gz IPDCGKJOHVERFG-QWHCGFSZSA-N 1 1 324.381 -1.033 20 0 DAADMO COCC1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099922336 782513202 /nfs/dbraw/zinc/51/32/02/782513202.db2.gz UWCUXKLQNLHSBQ-QWHCGFSZSA-N 1 1 316.398 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099936829 782514505 /nfs/dbraw/zinc/51/45/05/782514505.db2.gz FHLBMFWWFJNQQE-STQMWFEESA-N 1 1 312.370 -1.108 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099938423 782514769 /nfs/dbraw/zinc/51/47/69/782514769.db2.gz VVUUQSHAHBMZAL-BDAKNGLRSA-N 1 1 310.376 -3.416 20 0 DAADMO CCNC(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099916176 782511945 /nfs/dbraw/zinc/51/19/45/782511945.db2.gz KBNWUZADNOOSLD-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099935955 782511972 /nfs/dbraw/zinc/51/19/72/782511972.db2.gz XMNNENRYRZZVQL-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO COCC1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099922334 782512185 /nfs/dbraw/zinc/51/21/85/782512185.db2.gz UWCUXKLQNLHSBQ-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099947686 782518317 /nfs/dbraw/zinc/51/83/17/782518317.db2.gz ZBBXQTFUKQUSDY-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001099974915 782519412 /nfs/dbraw/zinc/51/94/12/782519412.db2.gz WSGJHSBNYLDUQK-JGVFFNPUSA-N 1 1 313.276 -1.398 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001099974915 782519422 /nfs/dbraw/zinc/51/94/22/782519422.db2.gz WSGJHSBNYLDUQK-JGVFFNPUSA-N 1 1 313.276 -1.398 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972652 782519549 /nfs/dbraw/zinc/51/95/49/782519549.db2.gz ZXBXJZZCARDRSQ-UWVGGRQHSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972652 782519559 /nfs/dbraw/zinc/51/95/59/782519559.db2.gz ZXBXJZZCARDRSQ-UWVGGRQHSA-N 1 1 300.359 -2.110 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099971699 782520128 /nfs/dbraw/zinc/52/01/28/782520128.db2.gz LJCSAGOUSODRGE-CHWSQXEVSA-N 1 1 312.370 -1.003 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972653 782520407 /nfs/dbraw/zinc/52/04/07/782520407.db2.gz ZXBXJZZCARDRSQ-VHSXEESVSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972653 782520417 /nfs/dbraw/zinc/52/04/17/782520417.db2.gz ZXBXJZZCARDRSQ-VHSXEESVSA-N 1 1 300.359 -2.110 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001099939320 782515800 /nfs/dbraw/zinc/51/58/00/782515800.db2.gz DCZPTZBMDJSKTB-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001099939320 782515807 /nfs/dbraw/zinc/51/58/07/782515807.db2.gz DCZPTZBMDJSKTB-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099936893 782515853 /nfs/dbraw/zinc/51/58/53/782515853.db2.gz GPSVRAQDKSLNMX-WDEREUQCSA-N 1 1 320.415 -1.998 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001099981441 782523271 /nfs/dbraw/zinc/52/32/71/782523271.db2.gz OHDNGRJGZJDLHS-WDEREUQCSA-N 1 1 322.369 -1.905 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980170 782522177 /nfs/dbraw/zinc/52/21/77/782522177.db2.gz CTQREVCOYDYHDG-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099979189 782522571 /nfs/dbraw/zinc/52/25/71/782522571.db2.gz QRKAFJGHXBMWNW-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099979189 782522577 /nfs/dbraw/zinc/52/25/77/782522577.db2.gz QRKAFJGHXBMWNW-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099981729 782524107 /nfs/dbraw/zinc/52/41/07/782524107.db2.gz RYYYIWNCLSVUAM-MNOVXSKESA-N 1 1 315.370 -2.188 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016820 782529270 /nfs/dbraw/zinc/52/92/70/782529270.db2.gz AAAKPOALIJEDBN-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016820 782529274 /nfs/dbraw/zinc/52/92/74/782529274.db2.gz AAAKPOALIJEDBN-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001100022608 782529858 /nfs/dbraw/zinc/52/98/58/782529858.db2.gz OIUWQENHNKXVRY-WDEREUQCSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001100022608 782529868 /nfs/dbraw/zinc/52/98/68/782529868.db2.gz OIUWQENHNKXVRY-WDEREUQCSA-N 1 1 322.427 -1.257 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100023852 782529835 /nfs/dbraw/zinc/52/98/35/782529835.db2.gz ACQZTKBPADHMDH-WDEREUQCSA-N 1 1 316.402 -1.372 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100030582 782531226 /nfs/dbraw/zinc/53/12/26/782531226.db2.gz YUQKXAVQWOKAQW-NXEZZACHSA-N 1 1 323.415 -2.142 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001100030244 782531307 /nfs/dbraw/zinc/53/13/07/782531307.db2.gz WMUPOUJSTIPNPY-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001100027282 782531450 /nfs/dbraw/zinc/53/14/50/782531450.db2.gz OBGHYAWWEHUXIN-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001100027282 782531454 /nfs/dbraw/zinc/53/14/54/782531454.db2.gz OBGHYAWWEHUXIN-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001100027284 782532279 /nfs/dbraw/zinc/53/22/79/782532279.db2.gz OBGHYAWWEHUXIN-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001100027284 782532286 /nfs/dbraw/zinc/53/22/86/782532286.db2.gz OBGHYAWWEHUXIN-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001100027295 782532442 /nfs/dbraw/zinc/53/24/42/782532442.db2.gz OFOUROGFERNXRU-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001100027295 782532450 /nfs/dbraw/zinc/53/24/50/782532450.db2.gz OFOUROGFERNXRU-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001100027283 782532616 /nfs/dbraw/zinc/53/26/16/782532616.db2.gz OBGHYAWWEHUXIN-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001100027283 782532621 /nfs/dbraw/zinc/53/26/21/782532621.db2.gz OBGHYAWWEHUXIN-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO O=C(CCNC(=O)C1CCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100032560 782534443 /nfs/dbraw/zinc/53/44/43/782534443.db2.gz XPAORXCEAZDZPQ-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100037119 782534588 /nfs/dbraw/zinc/53/45/88/782534588.db2.gz UIVPKBGWVYASPM-VXGBXAGGSA-N 1 1 324.381 -1.112 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100036284 782534958 /nfs/dbraw/zinc/53/49/58/782534958.db2.gz DLORONJIIHRADL-NEPJUHHUSA-N 1 1 324.381 -1.114 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100037471 782535097 /nfs/dbraw/zinc/53/50/97/782535097.db2.gz ZVMYJEGWCJYYFM-WDEREUQCSA-N 1 1 310.354 -1.502 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100036365 782535466 /nfs/dbraw/zinc/53/54/66/782535466.db2.gz FLKVKTYXTLUFPC-KGLIPLIRSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cccnn1 ZINC001100041989 782537136 /nfs/dbraw/zinc/53/71/36/782537136.db2.gz RIYUNUJKFSVRSG-AAEUAGOBSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100048420 782538960 /nfs/dbraw/zinc/53/89/60/782538960.db2.gz LIKNTICPXCOVLP-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100048422 782539411 /nfs/dbraw/zinc/53/94/11/782539411.db2.gz LIKNTICPXCOVLP-RYUDHWBXSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)c1cnon1 ZINC001100042218 782540105 /nfs/dbraw/zinc/54/01/05/782540105.db2.gz VXNRUOCEGDTHPM-JQWIXIFHSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)c1cnon1 ZINC001100042218 782540118 /nfs/dbraw/zinc/54/01/18/782540118.db2.gz VXNRUOCEGDTHPM-JQWIXIFHSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100051812 782542493 /nfs/dbraw/zinc/54/24/93/782542493.db2.gz ZXNOVAWKHCBTKN-STQMWFEESA-N 1 1 324.381 -1.433 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC)C[C@@H]1O ZINC001100064403 782543427 /nfs/dbraw/zinc/54/34/27/782543427.db2.gz MBTIAKBYKKAXJB-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100069436 782544420 /nfs/dbraw/zinc/54/44/20/782544420.db2.gz LGSLMEYUZUZVJS-WDEREUQCSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100069436 782544426 /nfs/dbraw/zinc/54/44/26/782544426.db2.gz LGSLMEYUZUZVJS-WDEREUQCSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100069436 782544429 /nfs/dbraw/zinc/54/44/29/782544429.db2.gz LGSLMEYUZUZVJS-WDEREUQCSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100069430 782545462 /nfs/dbraw/zinc/54/54/62/782545462.db2.gz LGSLMEYUZUZVJS-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100069430 782545469 /nfs/dbraw/zinc/54/54/69/782545469.db2.gz LGSLMEYUZUZVJS-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100069430 782545475 /nfs/dbraw/zinc/54/54/75/782545475.db2.gz LGSLMEYUZUZVJS-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100092743 782546494 /nfs/dbraw/zinc/54/64/94/782546494.db2.gz RNZSNOJVVCGOLF-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100083873 782546526 /nfs/dbraw/zinc/54/65/26/782546526.db2.gz WZEWVUXZMCDWSC-KGLIPLIRSA-N 1 1 321.377 -1.040 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100078448 782546608 /nfs/dbraw/zinc/54/66/08/782546608.db2.gz JFIVZZNKCFRQGF-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091377 782546660 /nfs/dbraw/zinc/54/66/60/782546660.db2.gz BPAUSYUIAKQEAZ-QWRGUYRKSA-N 1 1 307.416 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@@H]1O ZINC001100083108 782547533 /nfs/dbraw/zinc/54/75/33/782547533.db2.gz NGHVIWQBRYUYNC-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100083320 782547702 /nfs/dbraw/zinc/54/77/02/782547702.db2.gz QFTNYSYVGGDWJI-NEPJUHHUSA-N 1 1 300.403 -1.245 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091933 782547950 /nfs/dbraw/zinc/54/79/50/782547950.db2.gz HYPFOEAZCLUYBA-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100092903 782549174 /nfs/dbraw/zinc/54/91/74/782549174.db2.gz UKFNWWKKDIZBAK-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100092741 782549751 /nfs/dbraw/zinc/54/97/51/782549751.db2.gz RNZSNOJVVCGOLF-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100092901 782550793 /nfs/dbraw/zinc/55/07/93/782550793.db2.gz UKFNWWKKDIZBAK-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100092206 782550841 /nfs/dbraw/zinc/55/08/41/782550841.db2.gz LDDVJLZRHLMPPQ-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100092206 782550849 /nfs/dbraw/zinc/55/08/49/782550849.db2.gz LDDVJLZRHLMPPQ-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103448 782551313 /nfs/dbraw/zinc/55/13/13/782551313.db2.gz MAQSPMVNNHYYNK-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100103448 782551318 /nfs/dbraw/zinc/55/13/18/782551318.db2.gz MAQSPMVNNHYYNK-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)cn1 ZINC001100104062 782551448 /nfs/dbraw/zinc/55/14/48/782551448.db2.gz WHGVOJNNGXEWLL-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)cn1 ZINC001100104062 782551453 /nfs/dbraw/zinc/55/14/53/782551453.db2.gz WHGVOJNNGXEWLL-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001100105121 782551663 /nfs/dbraw/zinc/55/16/63/782551663.db2.gz FHSKVRSZDOVLEB-RYUDHWBXSA-N 1 1 324.385 -1.507 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103620 782552017 /nfs/dbraw/zinc/55/20/17/782552017.db2.gz OZKNBBNAWPOYER-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001100102827 782552212 /nfs/dbraw/zinc/55/22/12/782552212.db2.gz BKTRXIXSZQXEES-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106473 782552435 /nfs/dbraw/zinc/55/24/35/782552435.db2.gz VFYYCAJMVZYEFK-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103620 782552023 /nfs/dbraw/zinc/55/20/23/782552023.db2.gz OZKNBBNAWPOYER-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106472 782552700 /nfs/dbraw/zinc/55/27/00/782552700.db2.gz VFYYCAJMVZYEFK-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100117283 782553655 /nfs/dbraw/zinc/55/36/55/782553655.db2.gz GGECMDNYOPTMRY-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100114585 782554748 /nfs/dbraw/zinc/55/47/48/782554748.db2.gz QJZVVRPCWTYFJY-GXTWGEPZSA-N 1 1 324.381 -1.041 20 0 DAADMO CCNC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110580 782554850 /nfs/dbraw/zinc/55/48/50/782554850.db2.gz YCBPQHXKGNAPOV-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100109491 782555853 /nfs/dbraw/zinc/55/58/53/782555853.db2.gz GFRSSZTXPCMORQ-ZIAGYGMSSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109491 782555862 /nfs/dbraw/zinc/55/58/62/782555862.db2.gz GFRSSZTXPCMORQ-ZIAGYGMSSA-N 1 1 315.414 -1.358 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117984 782556186 /nfs/dbraw/zinc/55/61/86/782556186.db2.gz SIBMIWZECZHQEQ-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100119260 782556230 /nfs/dbraw/zinc/55/62/30/782556230.db2.gz HLIDHPMQLXPRGK-DGCLKSJQSA-N 1 1 322.365 -1.645 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100126663 782556422 /nfs/dbraw/zinc/55/64/22/782556422.db2.gz KTLUPLIKNQSXIQ-MNOVXSKESA-N 1 1 316.402 -1.108 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126894 782557125 /nfs/dbraw/zinc/55/71/25/782557125.db2.gz OQLGCFVSHMHZML-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100131339 782560004 /nfs/dbraw/zinc/56/00/04/782560004.db2.gz BPWNZYCBMHTOEA-CHWSQXEVSA-N 1 1 314.430 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](O)C1 ZINC001100147042 782561986 /nfs/dbraw/zinc/56/19/86/782561986.db2.gz BQQFIHZTRLJXHF-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO NC(=O)CC(=O)NCC1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC001100209103 782564027 /nfs/dbraw/zinc/56/40/27/782564027.db2.gz TZCVGYDYODANBE-UHFFFAOYSA-N 1 1 307.358 -1.132 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCc2nnc[nH]2)C1 ZINC001100226712 782564610 /nfs/dbraw/zinc/56/46/10/782564610.db2.gz NMLYOHHHROESHB-UHFFFAOYSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CN2CCOCC2)C1 ZINC001100255681 782565883 /nfs/dbraw/zinc/56/58/83/782565883.db2.gz BCCHMIRKRMUOMH-UHFFFAOYSA-N 1 1 323.401 -1.473 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCn2ccnn2)C1 ZINC001100278195 782567705 /nfs/dbraw/zinc/56/77/05/782567705.db2.gz JOHNWFQTBKAYIK-UHFFFAOYSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)Cn2nccn2)C1 ZINC001100366170 782571524 /nfs/dbraw/zinc/57/15/24/782571524.db2.gz GJYSRWUNCFLTGQ-UHFFFAOYSA-N 1 1 305.346 -1.514 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475569 782576981 /nfs/dbraw/zinc/57/69/81/782576981.db2.gz YQCNIRRREHTAIQ-AFPNSQJFSA-N 1 1 323.357 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001100629413 782579683 /nfs/dbraw/zinc/57/96/83/782579683.db2.gz BQLUZBOAFSNZES-UHFFFAOYSA-N 1 1 307.358 -1.540 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100768146 782582257 /nfs/dbraw/zinc/58/22/57/782582257.db2.gz UIHVLGVOFQEBAF-UHFFFAOYSA-N 1 1 309.330 -1.642 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100768146 782582261 /nfs/dbraw/zinc/58/22/61/782582261.db2.gz UIHVLGVOFQEBAF-UHFFFAOYSA-N 1 1 309.330 -1.642 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCCC2)C1 ZINC001100984331 782588497 /nfs/dbraw/zinc/58/84/97/782588497.db2.gz FOJRKIHOCQRMRZ-UHFFFAOYSA-N 1 1 311.386 -1.239 20 0 DAADMO COCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101102692 782589999 /nfs/dbraw/zinc/58/99/99/782589999.db2.gz QDKZTOCXAKWUFB-YGRLFVJLSA-N 1 1 312.370 -1.002 20 0 DAADMO CC[N@H+]1C[C@@H]2CN(C(=O)CNS(=O)(=O)NC)C[C@]2(C)C1 ZINC001101313671 782595242 /nfs/dbraw/zinc/59/52/42/782595242.db2.gz JCMBJFANQWXHEK-PWSUYJOCSA-N 1 1 304.416 -1.160 20 0 DAADMO C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101289522 782595265 /nfs/dbraw/zinc/59/52/65/782595265.db2.gz UQZWZZKFSUBHIH-OQPBUACISA-N 1 1 321.341 -1.607 20 0 DAADMO C[C@]12CN(C(=O)c3cn[nH]n3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101289522 782595269 /nfs/dbraw/zinc/59/52/69/782595269.db2.gz UQZWZZKFSUBHIH-OQPBUACISA-N 1 1 321.341 -1.607 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001101455185 782595881 /nfs/dbraw/zinc/59/58/81/782595881.db2.gz CHGDPZPQGYWTAO-YGRLFVJLSA-N 1 1 311.386 -1.429 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC2(C[NH+](C[C@H](C)O)C2)n2ccnc21 ZINC001101604183 782597208 /nfs/dbraw/zinc/59/72/08/782597208.db2.gz PBAABBXGVCHJCF-JQWIXIFHSA-N 1 1 321.381 -1.028 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](O)COC)C[C@@]2(C)C1 ZINC001101212187 782591674 /nfs/dbraw/zinc/59/16/74/782591674.db2.gz YWKYOUWCAHPQBT-XUJVJEKNSA-N 1 1 313.398 -1.090 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001101118332 782591776 /nfs/dbraw/zinc/59/17/76/782591776.db2.gz MZHHOMPFNMECMP-DYEKYZERSA-N 1 1 324.385 -1.539 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101144734 782591951 /nfs/dbraw/zinc/59/19/51/782591951.db2.gz VLXZHBXGFURSMG-RBZYPMLTSA-N 1 1 312.370 -1.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101123249 782593002 /nfs/dbraw/zinc/59/30/02/782593002.db2.gz SQMZLEVZDCZHDJ-RBZYPMLTSA-N 1 1 311.386 -1.431 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@]3(C)C2)nn1 ZINC001101122464 782593018 /nfs/dbraw/zinc/59/30/18/782593018.db2.gz INKNLUXJVRRQIW-YGRLFVJLSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@]3(C)C2)nn1 ZINC001101122464 782593022 /nfs/dbraw/zinc/59/30/22/782593022.db2.gz INKNLUXJVRRQIW-YGRLFVJLSA-N 1 1 321.385 -1.236 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001101122706 782593061 /nfs/dbraw/zinc/59/30/61/782593061.db2.gz UAWBNLKRAYCCDS-BFVZDQMLSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001101122707 782593543 /nfs/dbraw/zinc/59/35/43/782593543.db2.gz UAWBNLKRAYCCDS-RULNRJAQSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@]12CN(C(=O)CCNC(N)=O)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001101456377 782594223 /nfs/dbraw/zinc/59/42/23/782594223.db2.gz RGRZMRDZXRTWIV-ZETOZRRWSA-N 1 1 323.397 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101630341 782598356 /nfs/dbraw/zinc/59/83/56/782598356.db2.gz FAZNAGNYVNYISL-SNVBAGLBSA-N 1 1 322.369 -1.624 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC2(C[NH+](C[C@@H](C)O)C2)n2ccnc21 ZINC001101604184 782598703 /nfs/dbraw/zinc/59/87/03/782598703.db2.gz PBAABBXGVCHJCF-PWSUYJOCSA-N 1 1 321.381 -1.028 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC2(C[NH+](C[C@@H](C)O)C2)n2ccnc21 ZINC001101623804 782598976 /nfs/dbraw/zinc/59/89/76/782598976.db2.gz KNMPWFAFICBREW-MNOVXSKESA-N 1 1 321.381 -1.028 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711158 782599695 /nfs/dbraw/zinc/59/96/95/782599695.db2.gz OWNFXCLAAACUQE-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101684329 782599861 /nfs/dbraw/zinc/59/98/61/782599861.db2.gz AKRGSTOPGCTUKB-RAIGVLPGSA-N 1 1 301.387 -1.186 20 0 DAADMO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711060 782599990 /nfs/dbraw/zinc/59/99/90/782599990.db2.gz KRCBXJLDYHWHKX-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711060 782599995 /nfs/dbraw/zinc/59/99/95/782599995.db2.gz KRCBXJLDYHWHKX-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101645922 782600018 /nfs/dbraw/zinc/60/00/18/782600018.db2.gz IKFZJUACMLPCJL-NSHDSACASA-N 1 1 321.381 -1.074 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101632831 782600063 /nfs/dbraw/zinc/60/00/63/782600063.db2.gz REALZCNKJHJBFM-SNVBAGLBSA-N 1 1 321.381 -1.041 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101632830 782600503 /nfs/dbraw/zinc/60/05/03/782600503.db2.gz REALZCNKJHJBFM-JTQLQIEISA-N 1 1 321.381 -1.041 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101637286 782600670 /nfs/dbraw/zinc/60/06/70/782600670.db2.gz ITFDYYZVQOMVLV-QWRGUYRKSA-N 1 1 321.381 -1.041 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711063 782601110 /nfs/dbraw/zinc/60/11/10/782601110.db2.gz KTKORBXWELCTCC-OPRDCNLKSA-N 1 1 324.389 -1.377 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711063 782601113 /nfs/dbraw/zinc/60/11/13/782601113.db2.gz KTKORBXWELCTCC-OPRDCNLKSA-N 1 1 324.389 -1.377 20 0 DAADMO CCOCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101697487 782601239 /nfs/dbraw/zinc/60/12/39/782601239.db2.gz OLWANKAUVAQKKR-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101637287 782601270 /nfs/dbraw/zinc/60/12/70/782601270.db2.gz ITFDYYZVQOMVLV-WDEREUQCSA-N 1 1 321.381 -1.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886416 782604247 /nfs/dbraw/zinc/60/42/47/782604247.db2.gz OGLDXVBCCJTOJU-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)Cn3cnnn3)[C@H](C)C2)[nH]1 ZINC001101714908 782601911 /nfs/dbraw/zinc/60/19/11/782601911.db2.gz STFOZPBCIZWIAI-MWLCHTKSSA-N 1 1 319.373 -1.016 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)Cn3cnnn3)[C@H](C)C2)[nH]1 ZINC001101714908 782601919 /nfs/dbraw/zinc/60/19/19/782601919.db2.gz STFOZPBCIZWIAI-MWLCHTKSSA-N 1 1 319.373 -1.016 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711649 782602012 /nfs/dbraw/zinc/60/20/12/782602012.db2.gz AXOZHISCLDMRKA-OUAUKWLOSA-N 1 1 313.402 -1.185 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716525 782602201 /nfs/dbraw/zinc/60/22/01/782602201.db2.gz CCERKYFZBCJVQX-GHMZBOCLSA-N 1 1 309.374 -1.555 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711943 782602513 /nfs/dbraw/zinc/60/25/13/782602513.db2.gz JXQXTPXSXILXCQ-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101717204 782602723 /nfs/dbraw/zinc/60/27/23/782602723.db2.gz UMZZWPNJEGTVLT-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(=O)OC)[C@H](C)C1 ZINC001101763791 782603357 /nfs/dbraw/zinc/60/33/57/782603357.db2.gz BZXNIYDNNJTKJJ-NXEZZACHSA-N 1 1 300.359 -1.228 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716123 782603550 /nfs/dbraw/zinc/60/35/50/782603550.db2.gz SKMFQVHKDWFHPV-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976815 782608215 /nfs/dbraw/zinc/60/82/15/782608215.db2.gz NEGJPSLDNNLEQH-GRYCIOLGSA-N 1 1 323.401 -1.166 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838657 782604346 /nfs/dbraw/zinc/60/43/46/782604346.db2.gz NBEHRTDOABJONT-KXUCPTDWSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838657 782604350 /nfs/dbraw/zinc/60/43/50/782604350.db2.gz NBEHRTDOABJONT-KXUCPTDWSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CC(N)=O ZINC001101837674 782604783 /nfs/dbraw/zinc/60/47/83/782604783.db2.gz IXOIIDZTHQAHJG-JHJVBQTASA-N 1 1 323.397 -1.197 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838400 782604987 /nfs/dbraw/zinc/60/49/87/782604987.db2.gz BXPSJWIVZWPIQH-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837680 782605030 /nfs/dbraw/zinc/60/50/30/782605030.db2.gz IZWJEECBZGQMES-IWSPIJDZSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cncnc1 ZINC001101898200 782606119 /nfs/dbraw/zinc/60/61/19/782606119.db2.gz YLXYQQGZUWAEEN-MWLCHTKSSA-N 1 1 320.353 -1.031 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101902227 782606242 /nfs/dbraw/zinc/60/62/42/782606242.db2.gz DTJMHUDFXAAPET-GHMZBOCLSA-N 1 1 324.385 -1.196 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101903428 782606544 /nfs/dbraw/zinc/60/65/44/782606544.db2.gz CQYWWZJBVQYQRQ-MXWKQRLJSA-N 1 1 324.385 -1.068 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101911642 782606737 /nfs/dbraw/zinc/60/67/37/782606737.db2.gz MDCBFBPJKDQYJX-WRWGMCAJSA-N 1 1 316.402 -1.265 20 0 DAADMO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980312 782609127 /nfs/dbraw/zinc/60/91/27/782609127.db2.gz SRQSWAXDSXAFKO-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980312 782609130 /nfs/dbraw/zinc/60/91/30/782609130.db2.gz SRQSWAXDSXAFKO-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001101982953 782609808 /nfs/dbraw/zinc/60/98/08/782609808.db2.gz UFNKLDCCFGQZOG-OZWUEAAUSA-N 1 1 324.381 -1.098 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101987947 782609999 /nfs/dbraw/zinc/60/99/99/782609999.db2.gz MHJGWCVHKRPURT-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001102024089 782610213 /nfs/dbraw/zinc/61/02/13/782610213.db2.gz ZRCGUZHYEUAYKA-UTUOFQBUSA-N 1 1 316.402 -1.393 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102016831 782610488 /nfs/dbraw/zinc/61/04/88/782610488.db2.gz QBBXWYCCYYNOAZ-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980588 782610667 /nfs/dbraw/zinc/61/06/67/782610667.db2.gz ZHHVBULUJXAKKE-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC001102017938 782610791 /nfs/dbraw/zinc/61/07/91/782610791.db2.gz ZRSRWABAEJXAPL-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102005045 782610848 /nfs/dbraw/zinc/61/08/48/782610848.db2.gz QQDYQHDXQOXJPU-NXEZZACHSA-N 1 1 323.357 -1.843 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102021264 782610986 /nfs/dbraw/zinc/61/09/86/782610986.db2.gz LKXMDYFTUVFMIN-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC001102021264 782610992 /nfs/dbraw/zinc/61/09/92/782610992.db2.gz LKXMDYFTUVFMIN-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102019494 782611269 /nfs/dbraw/zinc/61/12/69/782611269.db2.gz MMICDBFRXGEGGI-GHMZBOCLSA-N 1 1 314.386 -1.692 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C ZINC001102021814 782611483 /nfs/dbraw/zinc/61/14/83/782611483.db2.gz YSZFBGKWZQRLQH-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C ZINC001102021814 782611485 /nfs/dbraw/zinc/61/14/85/782611485.db2.gz YSZFBGKWZQRLQH-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCNC2=O)[C@H](C)C1 ZINC001102039577 782613557 /nfs/dbraw/zinc/61/35/57/782613557.db2.gz OAEXOKSMYPZYMS-GRYCIOLGSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001102128074 782611972 /nfs/dbraw/zinc/61/19/72/782611972.db2.gz BGRFETUIHJDXNV-GHMZBOCLSA-N 1 1 310.354 -1.375 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H](C)C1 ZINC001102110997 782612058 /nfs/dbraw/zinc/61/20/58/782612058.db2.gz PLIMNANFLHJYLO-RKDXNWHRSA-N 1 1 320.340 -1.202 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001102185524 782612171 /nfs/dbraw/zinc/61/21/71/782612171.db2.gz GJEDSDKSORHEJX-GHMZBOCLSA-N 1 1 324.385 -1.859 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cncn1C ZINC001102123526 782612192 /nfs/dbraw/zinc/61/21/92/782612192.db2.gz FGIOMNXAFONKNV-NXEZZACHSA-N 1 1 322.369 -1.087 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC001102053084 782612370 /nfs/dbraw/zinc/61/23/70/782612370.db2.gz RULAVWFQPFJBGS-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108640 782612915 /nfs/dbraw/zinc/61/29/15/782612915.db2.gz VMKPJMDVFUZESI-GRYCIOLGSA-N 1 1 311.386 -1.353 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102191216 782613251 /nfs/dbraw/zinc/61/32/51/782613251.db2.gz QWCFKMOJBDOIOQ-RKDXNWHRSA-N 1 1 321.403 -2.790 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479619 782616842 /nfs/dbraw/zinc/61/68/42/782616842.db2.gz YORQMQPYRXMBFH-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC001102472410 782616939 /nfs/dbraw/zinc/61/69/39/782616939.db2.gz BAVCEBKYOPGFGF-RKDXNWHRSA-N 1 1 311.342 -2.292 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 ZINC001102472730 782617220 /nfs/dbraw/zinc/61/72/20/782617220.db2.gz RMNHUJJEMSXRKS-GMTAPVOTSA-N 1 1 312.370 -1.397 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCn1cnnn1 ZINC001102479434 782617335 /nfs/dbraw/zinc/61/73/35/782617335.db2.gz PQQRXLJUJWHBAY-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001102506299 782617450 /nfs/dbraw/zinc/61/74/50/782617450.db2.gz DLUUHNPGKVUTPQ-GMTAPVOTSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102506299 782617454 /nfs/dbraw/zinc/61/74/54/782617454.db2.gz DLUUHNPGKVUTPQ-GMTAPVOTSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102506299 782617459 /nfs/dbraw/zinc/61/74/59/782617459.db2.gz DLUUHNPGKVUTPQ-GMTAPVOTSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ncccn1 ZINC001102475075 782617583 /nfs/dbraw/zinc/61/75/83/782617583.db2.gz XCWPLSZLZLQWNQ-NXEZZACHSA-N 1 1 320.353 -1.031 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001102505568 782618423 /nfs/dbraw/zinc/61/84/23/782618423.db2.gz SJCPCFOAFXWJAA-IJLUTSLNSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511252 782618583 /nfs/dbraw/zinc/61/85/83/782618583.db2.gz PFGONSKUSVMQLX-VXGBXAGGSA-N 1 1 300.403 -1.266 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001102190224 782613949 /nfs/dbraw/zinc/61/39/49/782613949.db2.gz XDSJWOHZOKMLOA-GMTAPVOTSA-N 1 1 322.431 -1.895 20 0 DAADMO C[C@H](C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1)CS(C)(=O)=O ZINC001102306106 782615021 /nfs/dbraw/zinc/61/50/21/782615021.db2.gz GRHIDDDSKDIIPZ-GMTAPVOTSA-N 1 1 319.427 -1.164 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307749 782615384 /nfs/dbraw/zinc/61/53/84/782615384.db2.gz QGUUAPJZTAXUNP-GMTAPVOTSA-N 1 1 308.382 -1.176 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1)CS(C)(=O)=O ZINC001102306107 782615415 /nfs/dbraw/zinc/61/54/15/782615415.db2.gz GRHIDDDSKDIIPZ-HBNTYKKESA-N 1 1 319.427 -1.164 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C(N)=O ZINC001102310567 782615641 /nfs/dbraw/zinc/61/56/41/782615641.db2.gz YOQRDYIYSBGPLZ-RKDXNWHRSA-N 1 1 310.358 -1.195 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C(N)=O ZINC001102310567 782615646 /nfs/dbraw/zinc/61/56/46/782615646.db2.gz YOQRDYIYSBGPLZ-RKDXNWHRSA-N 1 1 310.358 -1.195 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306540 782615808 /nfs/dbraw/zinc/61/58/08/782615808.db2.gz YZZSEAVHAYTJLH-HRDYMLBCSA-N 1 1 313.358 -2.000 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)C(N)=O ZINC001102304500 782615913 /nfs/dbraw/zinc/61/59/13/782615913.db2.gz JUQZSYRXHBHHEX-NXEZZACHSA-N 1 1 320.415 -1.953 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)COc1cnn(C)c1 ZINC001102285618 782616029 /nfs/dbraw/zinc/61/60/29/782616029.db2.gz ZVOJHEGDAQAVCH-GHMZBOCLSA-N 1 1 309.370 -1.032 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241037 782616098 /nfs/dbraw/zinc/61/60/98/782616098.db2.gz BVIYZAQGJVFADX-NXEZZACHSA-N 1 1 309.374 -1.356 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306073 782616110 /nfs/dbraw/zinc/61/61/10/782616110.db2.gz FBRNHPQOOQNTLA-GHMZBOCLSA-N 1 1 313.402 -1.137 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[C@H](C)C1 ZINC001102292160 782616146 /nfs/dbraw/zinc/61/61/46/782616146.db2.gz BFQFZLRQZZAFNK-GMTAPVOTSA-N 1 1 311.386 -1.512 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOC)C[C@H]1C ZINC001102583693 782621208 /nfs/dbraw/zinc/62/12/08/782621208.db2.gz VWLQIQSYKDXSLO-GHMZBOCLSA-N 1 1 307.416 -1.134 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655034 782622095 /nfs/dbraw/zinc/62/20/95/782622095.db2.gz NJJGJHVLJABUCO-GMTAPVOTSA-N 1 1 313.402 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656756 782622392 /nfs/dbraw/zinc/62/23/92/782622392.db2.gz NWGDMNGDUMUFPO-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCCN1C ZINC001102883386 782622512 /nfs/dbraw/zinc/62/25/12/782622512.db2.gz PDLMEGVMQALDCU-UPJWGTAASA-N 1 1 312.414 -1.124 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655006 782623323 /nfs/dbraw/zinc/62/33/23/782623323.db2.gz LWMAAAOIFHWZCJ-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655097 782623392 /nfs/dbraw/zinc/62/33/92/782623392.db2.gz QGLIVQCDYMCAHC-UTUOFQBUSA-N 1 1 316.402 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCOCC1 ZINC001102879514 782623674 /nfs/dbraw/zinc/62/36/74/782623674.db2.gz BHZNBTLHMRCSHO-CHWSQXEVSA-N 1 1 312.414 -1.122 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991531 782625049 /nfs/dbraw/zinc/62/50/49/782625049.db2.gz QPPKWSQLVDNVMT-OUAUKWLOSA-N 1 1 309.374 -1.379 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102562016 782619433 /nfs/dbraw/zinc/61/94/33/782619433.db2.gz VWKNPMNSAGMLMR-IJLUTSLNSA-N 1 1 316.402 -1.264 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)n1 ZINC001102523806 782619625 /nfs/dbraw/zinc/61/96/25/782619625.db2.gz KAIALMBFFKMZDA-ZYHUDNBSSA-N 1 1 321.381 -1.279 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001102582249 782619968 /nfs/dbraw/zinc/61/99/68/782619968.db2.gz CWIGNXZSTGVKPM-OPRDCNLKSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1cncn1 ZINC001102559513 782620190 /nfs/dbraw/zinc/62/01/90/782620190.db2.gz ACNGDPGMFHCYJK-IJLUTSLNSA-N 1 1 306.370 -1.149 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102582212 782620211 /nfs/dbraw/zinc/62/02/11/782620211.db2.gz BJUVIWUIWUIAPU-RKDXNWHRSA-N 1 1 306.388 -2.295 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102596833 782620353 /nfs/dbraw/zinc/62/03/53/782620353.db2.gz AFKUIOFJOYELGL-NXEZZACHSA-N 1 1 313.402 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)[C@H](C)C1 ZINC001102622573 782620799 /nfs/dbraw/zinc/62/07/99/782620799.db2.gz AKCWOLDCEYUINB-GMTAPVOTSA-N 1 1 324.381 -1.531 20 0 DAADMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111680386 782631251 /nfs/dbraw/zinc/63/12/51/782631251.db2.gz RZYDJXSPUXYUQB-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cnnn2)C1 ZINC001103569343 782625877 /nfs/dbraw/zinc/62/58/77/782625877.db2.gz DBQPNAGGQJRRNL-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001103731508 782626331 /nfs/dbraw/zinc/62/63/31/782626331.db2.gz KIOUPGTVQUFJQQ-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103731517 782626718 /nfs/dbraw/zinc/62/67/18/782626718.db2.gz KOXJXZPNAZEZDH-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1nnc[nH]1 ZINC001103549809 782627091 /nfs/dbraw/zinc/62/70/91/782627091.db2.gz KPPCFSQEXRFHAQ-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1ncn[nH]1 ZINC001103549809 782627095 /nfs/dbraw/zinc/62/70/95/782627095.db2.gz KPPCFSQEXRFHAQ-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1ncn[nH]1 ZINC001103549809 782627099 /nfs/dbraw/zinc/62/70/99/782627099.db2.gz KPPCFSQEXRFHAQ-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1nc[nH]n1 ZINC001103549809 782627101 /nfs/dbraw/zinc/62/71/01/782627101.db2.gz KPPCFSQEXRFHAQ-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1nc[nH]n1 ZINC001103549809 782627107 /nfs/dbraw/zinc/62/71/07/782627107.db2.gz KPPCFSQEXRFHAQ-RKDXNWHRSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN1C(=O)CNC1=O ZINC001103703938 782627170 /nfs/dbraw/zinc/62/71/70/782627170.db2.gz LYOBVZLLJCHQJR-GHMZBOCLSA-N 1 1 312.370 -1.395 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)C2CC2)C1 ZINC001111619299 782631971 /nfs/dbraw/zinc/63/19/71/782631971.db2.gz SEZDAVXUYHRYSG-NHYWBVRUSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(=O)C2CC2)C1 ZINC001111619299 782631979 /nfs/dbraw/zinc/63/19/79/782631979.db2.gz SEZDAVXUYHRYSG-NHYWBVRUSA-N 1 1 308.382 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586522 782632062 /nfs/dbraw/zinc/63/20/62/782632062.db2.gz ZRQKYQAXKOJOAK-BHDSKKPTSA-N 1 1 311.386 -1.111 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114980524 782637242 /nfs/dbraw/zinc/63/72/42/782637242.db2.gz SLCSPDBEEJICCK-KZWBYHQPSA-N 1 1 324.381 -1.254 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111748632 782632783 /nfs/dbraw/zinc/63/27/83/782632783.db2.gz GSQUPEICWGPBTO-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111750118 782633037 /nfs/dbraw/zinc/63/30/37/782633037.db2.gz NLNCKCQODCTQIU-JSGCOSHPSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114987165 782637284 /nfs/dbraw/zinc/63/72/84/782637284.db2.gz VSANVZBCUMFASE-IAZYJMLFSA-N 1 1 308.338 -2.035 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001111835413 782633285 /nfs/dbraw/zinc/63/32/85/782633285.db2.gz FDGOOWHQSBWVEF-MJVIPROJSA-N 1 1 324.385 -1.198 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114978303 782637323 /nfs/dbraw/zinc/63/73/23/782637323.db2.gz SEWDUWICDNFYEF-XZUYRWCXSA-N 1 1 314.361 -1.228 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114978303 782637326 /nfs/dbraw/zinc/63/73/26/782637326.db2.gz SEWDUWICDNFYEF-XZUYRWCXSA-N 1 1 314.361 -1.228 20 0 DAADMO CNC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111722226 782633395 /nfs/dbraw/zinc/63/33/95/782633395.db2.gz FAYIPGRVQZGHQJ-RWSFTLGLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)NC(N)=O ZINC001111748671 782633454 /nfs/dbraw/zinc/63/34/54/782633454.db2.gz ILUKKIQMWUSSLR-BHDSKKPTSA-N 1 1 311.386 -1.111 20 0 DAADMO C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)NC(N)=O ZINC001111748671 782633455 /nfs/dbraw/zinc/63/34/55/782633455.db2.gz ILUKKIQMWUSSLR-BHDSKKPTSA-N 1 1 311.386 -1.111 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155910 782634578 /nfs/dbraw/zinc/63/45/78/782634578.db2.gz QMVSYRYBFWUGBO-FSDSQADBSA-N 1 1 310.276 -1.415 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111913765 782634751 /nfs/dbraw/zinc/63/47/51/782634751.db2.gz AFSHEXWSMQKIMM-GWCFXTLKSA-N 1 1 307.358 -1.481 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111913765 782634754 /nfs/dbraw/zinc/63/47/54/782634754.db2.gz AFSHEXWSMQKIMM-GWCFXTLKSA-N 1 1 307.358 -1.481 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857053 782634772 /nfs/dbraw/zinc/63/47/72/782634772.db2.gz SQEBFMBFIKCEOA-UPFKWVMWSA-N 1 1 311.342 -1.974 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857053 782634774 /nfs/dbraw/zinc/63/47/74/782634774.db2.gz SQEBFMBFIKCEOA-UPFKWVMWSA-N 1 1 311.342 -1.974 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073202 782634995 /nfs/dbraw/zinc/63/49/95/782634995.db2.gz GLFQCHXOTDAMKJ-RNFRBKRXSA-N 1 1 310.276 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(N)=O)C1 ZINC001111974763 782635420 /nfs/dbraw/zinc/63/54/20/782635420.db2.gz BLCXASWZICYBEH-BFVZDQMLSA-N 1 1 311.386 -1.111 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988296 782637444 /nfs/dbraw/zinc/63/74/44/782637444.db2.gz CGAKAPMXGGKTSY-GDNZZTSVSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988296 782637446 /nfs/dbraw/zinc/63/74/46/782637446.db2.gz CGAKAPMXGGKTSY-GDNZZTSVSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988296 782637448 /nfs/dbraw/zinc/63/74/48/782637448.db2.gz CGAKAPMXGGKTSY-GDNZZTSVSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114988296 782637450 /nfs/dbraw/zinc/63/74/50/782637450.db2.gz CGAKAPMXGGKTSY-GDNZZTSVSA-N 1 1 322.369 -1.383 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114988296 782637451 /nfs/dbraw/zinc/63/74/51/782637451.db2.gz CGAKAPMXGGKTSY-GDNZZTSVSA-N 1 1 322.369 -1.383 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114971476 782636019 /nfs/dbraw/zinc/63/60/19/782636019.db2.gz XNYURPKDNQXGRI-MBTKJCJQSA-N 1 1 323.353 -2.246 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114971476 782636022 /nfs/dbraw/zinc/63/60/22/782636022.db2.gz XNYURPKDNQXGRI-MBTKJCJQSA-N 1 1 323.353 -2.246 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115038674 782640189 /nfs/dbraw/zinc/64/01/89/782640189.db2.gz OJTGGBHTCUKLFS-ITGUQSILSA-N 1 1 318.381 -1.149 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115051751 782640411 /nfs/dbraw/zinc/64/04/11/782640411.db2.gz BALHXLOLTFDEMV-PJXYFTJBSA-N 1 1 319.427 -1.303 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(=O)NCC2CC2)C1=O ZINC001115038128 782640656 /nfs/dbraw/zinc/64/06/56/782640656.db2.gz IKVPNZGXKIDFDV-XQHKEYJVSA-N 1 1 320.393 -1.210 20 0 DAADMO COCCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115096765 782641211 /nfs/dbraw/zinc/64/12/11/782641211.db2.gz UIQXDMOACQNPNA-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115098553 782641225 /nfs/dbraw/zinc/64/12/25/782641225.db2.gz JPJCZFRSRRKRRF-YABSGUDNSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115098553 782641227 /nfs/dbraw/zinc/64/12/27/782641227.db2.gz JPJCZFRSRRKRRF-YABSGUDNSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115098553 782641231 /nfs/dbraw/zinc/64/12/31/782641231.db2.gz JPJCZFRSRRKRRF-YABSGUDNSA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115077003 782641535 /nfs/dbraw/zinc/64/15/35/782641535.db2.gz RBEHYDOEUFSLRR-MEWQQHAOSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115077003 782641542 /nfs/dbraw/zinc/64/15/42/782641542.db2.gz RBEHYDOEUFSLRR-MEWQQHAOSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115077001 782641594 /nfs/dbraw/zinc/64/15/94/782641594.db2.gz RBEHYDOEUFSLRR-DCQANWLSSA-N 1 1 306.370 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115077001 782641598 /nfs/dbraw/zinc/64/15/98/782641598.db2.gz RBEHYDOEUFSLRR-DCQANWLSSA-N 1 1 306.370 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115104172 782642634 /nfs/dbraw/zinc/64/26/34/782642634.db2.gz RMVMLWOGUVRBEZ-IAZYJMLFSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115104172 782642636 /nfs/dbraw/zinc/64/26/36/782642636.db2.gz RMVMLWOGUVRBEZ-IAZYJMLFSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115104228 782642801 /nfs/dbraw/zinc/64/28/01/782642801.db2.gz SYFKBLXJJYFPIK-SVDPJWKOSA-N 1 1 323.357 -2.784 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114993976 782638627 /nfs/dbraw/zinc/63/86/27/782638627.db2.gz DNIIBHVHLHGVSU-IWIIMEHWSA-N 1 1 323.353 -1.118 20 0 DAADMO CCOCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114993976 782638631 /nfs/dbraw/zinc/63/86/31/782638631.db2.gz DNIIBHVHLHGVSU-IWIIMEHWSA-N 1 1 323.353 -1.118 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001115005488 782638651 /nfs/dbraw/zinc/63/86/51/782638651.db2.gz MUXJQHIOMKACQM-AXTSPUMRSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccn1 ZINC001115005488 782638654 /nfs/dbraw/zinc/63/86/54/782638654.db2.gz MUXJQHIOMKACQM-AXTSPUMRSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115020623 782639429 /nfs/dbraw/zinc/63/94/29/782639429.db2.gz MOZDHRNLZVFYQX-APOZVJGGSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115020623 782639434 /nfs/dbraw/zinc/63/94/34/782639434.db2.gz MOZDHRNLZVFYQX-APOZVJGGSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115025953 782639597 /nfs/dbraw/zinc/63/95/97/782639597.db2.gz QTXOXAQUFGZUFT-NGJRWZKOSA-N 1 1 322.287 -1.415 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242332 782647948 /nfs/dbraw/zinc/64/79/48/782647948.db2.gz ZVUOGOOIRNSXMP-DCQANWLSSA-N 1 1 323.397 -1.560 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC001115207239 782644966 /nfs/dbraw/zinc/64/49/66/782644966.db2.gz NJACCUGNLNRTCG-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC001115207239 782644970 /nfs/dbraw/zinc/64/49/70/782644970.db2.gz NJACCUGNLNRTCG-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188656 782645051 /nfs/dbraw/zinc/64/50/51/782645051.db2.gz NZFXJQRNJZKQJJ-WYOJIJJFSA-N 1 1 318.399 -2.202 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188656 782645055 /nfs/dbraw/zinc/64/50/55/782645055.db2.gz NZFXJQRNJZKQJJ-WYOJIJJFSA-N 1 1 318.399 -2.202 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188580 782645069 /nfs/dbraw/zinc/64/50/69/782645069.db2.gz MSOIGJHLZQVOJX-DCQANWLSSA-N 1 1 319.427 -1.041 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209036 782645695 /nfs/dbraw/zinc/64/56/95/782645695.db2.gz OVYZRSZZWYTBBU-REIXXSIJSA-N 1 1 321.341 -2.092 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209036 782645699 /nfs/dbraw/zinc/64/56/99/782645699.db2.gz OVYZRSZZWYTBBU-REIXXSIJSA-N 1 1 321.341 -2.092 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115216970 782645773 /nfs/dbraw/zinc/64/57/73/782645773.db2.gz LWGHKAXRRFSXCW-MIZYBKAJSA-N 1 1 310.354 -1.597 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115211550 782645926 /nfs/dbraw/zinc/64/59/26/782645926.db2.gz UUMGOCOXEWGLCZ-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115218454 782646485 /nfs/dbraw/zinc/64/64/85/782646485.db2.gz DHFUQHDPDLMLBC-PJXYFTJBSA-N 1 1 314.386 -1.246 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115220031 782646791 /nfs/dbraw/zinc/64/67/91/782646791.db2.gz AGQZEDLEAMNDNW-MVVXRAEJSA-N 1 1 323.397 -1.242 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115218702 782646870 /nfs/dbraw/zinc/64/68/70/782646870.db2.gz ITIPUVBKQXZTOK-UVMAFCGOSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001115218702 782646877 /nfs/dbraw/zinc/64/68/77/782646877.db2.gz ITIPUVBKQXZTOK-UVMAFCGOSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CNC1=O ZINC001115219526 782646939 /nfs/dbraw/zinc/64/69/39/782646939.db2.gz ZNRRRZBARWWLOK-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCN1C(=O)CNC1=O ZINC001115219526 782646942 /nfs/dbraw/zinc/64/69/42/782646942.db2.gz ZNRRRZBARWWLOK-WOFXILAISA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115219149 782646995 /nfs/dbraw/zinc/64/69/95/782646995.db2.gz RIWNKUGWPMTHOT-MIZYBKAJSA-N 1 1 309.370 -1.630 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115220632 782647539 /nfs/dbraw/zinc/64/75/39/782647539.db2.gz MTLPNFOCIQKDCX-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001115242940 782647752 /nfs/dbraw/zinc/64/77/52/782647752.db2.gz GQLQNSFZKSKPKF-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141735 782643447 /nfs/dbraw/zinc/64/34/47/782643447.db2.gz GBCOXPPENZAHED-BBGACYKPSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141735 782643450 /nfs/dbraw/zinc/64/34/50/782643450.db2.gz GBCOXPPENZAHED-BBGACYKPSA-N 1 1 308.382 -1.164 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115142479 782643460 /nfs/dbraw/zinc/64/34/60/782643460.db2.gz VSFCHOQXRIIWSH-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115142479 782643466 /nfs/dbraw/zinc/64/34/66/782643466.db2.gz VSFCHOQXRIIWSH-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NCC1CC1 ZINC001115142054 782643478 /nfs/dbraw/zinc/64/34/78/782643478.db2.gz NJGOHMPHGOUGIP-OZTPJHRESA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)NCC1CC1 ZINC001115142054 782643481 /nfs/dbraw/zinc/64/34/81/782643481.db2.gz NJGOHMPHGOUGIP-OZTPJHRESA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001115141815 782643725 /nfs/dbraw/zinc/64/37/25/782643725.db2.gz IAEWWTGGRCBNIM-KZVDOYCCSA-N 1 1 320.393 -1.162 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141609 782644004 /nfs/dbraw/zinc/64/40/04/782644004.db2.gz CFPFMOWKFJQEEG-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141609 782644009 /nfs/dbraw/zinc/64/40/09/782644009.db2.gz CFPFMOWKFJQEEG-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115261147 782649992 /nfs/dbraw/zinc/64/99/92/782649992.db2.gz LJMBIGXUSOUIQU-DEKYYXRVSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115261147 782649995 /nfs/dbraw/zinc/64/99/95/782649995.db2.gz LJMBIGXUSOUIQU-DEKYYXRVSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115287840 782650140 /nfs/dbraw/zinc/65/01/40/782650140.db2.gz GIYRYDGCJJEQAP-IWIIMEHWSA-N 1 1 308.342 -2.567 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115294487 782650202 /nfs/dbraw/zinc/65/02/02/782650202.db2.gz QPBQVPOIUDYOQW-YABSGUDNSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115294487 782650212 /nfs/dbraw/zinc/65/02/12/782650212.db2.gz QPBQVPOIUDYOQW-YABSGUDNSA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115292364 782650241 /nfs/dbraw/zinc/65/02/41/782650241.db2.gz MTRHILRYPNOFQR-IWIIMEHWSA-N 1 1 310.333 -1.590 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115292364 782650246 /nfs/dbraw/zinc/65/02/46/782650246.db2.gz MTRHILRYPNOFQR-IWIIMEHWSA-N 1 1 310.333 -1.590 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295883 782651292 /nfs/dbraw/zinc/65/12/92/782651292.db2.gz GZKCSSNAQPAPSL-MVVXRAEJSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295883 782651294 /nfs/dbraw/zinc/65/12/94/782651294.db2.gz GZKCSSNAQPAPSL-MVVXRAEJSA-N 1 1 308.382 -1.177 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115341593 782651758 /nfs/dbraw/zinc/65/17/58/782651758.db2.gz GVVTZYBLMWVZMD-MIZYBKAJSA-N 1 1 311.386 -1.255 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115341593 782651761 /nfs/dbraw/zinc/65/17/61/782651761.db2.gz GVVTZYBLMWVZMD-MIZYBKAJSA-N 1 1 311.386 -1.255 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115343475 782652155 /nfs/dbraw/zinc/65/21/55/782652155.db2.gz JFWYNBJTWRGYQA-SVDPJWKOSA-N 1 1 320.353 -1.487 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115343475 782652162 /nfs/dbraw/zinc/65/21/62/782652162.db2.gz JFWYNBJTWRGYQA-SVDPJWKOSA-N 1 1 320.353 -1.487 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341340 782652349 /nfs/dbraw/zinc/65/23/49/782652349.db2.gz AMDMIVIQYKEWAI-IWIIMEHWSA-N 1 1 320.353 -1.615 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341340 782652354 /nfs/dbraw/zinc/65/23/54/782652354.db2.gz AMDMIVIQYKEWAI-IWIIMEHWSA-N 1 1 320.353 -1.615 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001115365519 782652986 /nfs/dbraw/zinc/65/29/86/782652986.db2.gz YOMLKZOKKBTCMQ-RBQUTUCGSA-N 1 1 322.365 -1.778 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001115365519 782652992 /nfs/dbraw/zinc/65/29/92/782652992.db2.gz YOMLKZOKKBTCMQ-RBQUTUCGSA-N 1 1 322.365 -1.778 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001115249894 782648605 /nfs/dbraw/zinc/64/86/05/782648605.db2.gz OZLHIAODWWXECS-GDGBQDQQSA-N 1 1 318.399 -2.330 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)C(N)=O ZINC001115361438 782653184 /nfs/dbraw/zinc/65/31/84/782653184.db2.gz VZFAIJOTRBPELV-MEWQQHAOSA-N 1 1 310.398 -1.074 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)C(N)=O ZINC001115361438 782653190 /nfs/dbraw/zinc/65/31/90/782653190.db2.gz VZFAIJOTRBPELV-MEWQQHAOSA-N 1 1 310.398 -1.074 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001115247399 782648905 /nfs/dbraw/zinc/64/89/05/782648905.db2.gz DEKLFBRGQLDQSP-KXNHARMFSA-N 1 1 317.411 -1.239 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115256354 782648974 /nfs/dbraw/zinc/64/89/74/782648974.db2.gz QGLFZCJDVGOZSQ-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001115247401 782649114 /nfs/dbraw/zinc/64/91/14/782649114.db2.gz DEKLFBRGQLDQSP-WHOHXGKFSA-N 1 1 317.411 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115293914 782649610 /nfs/dbraw/zinc/64/96/10/782649610.db2.gz FCNRSOXAQNKVGZ-JZYVYDRUSA-N 1 1 311.386 -1.514 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115293914 782649615 /nfs/dbraw/zinc/64/96/15/782649615.db2.gz FCNRSOXAQNKVGZ-JZYVYDRUSA-N 1 1 311.386 -1.514 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115292657 782649682 /nfs/dbraw/zinc/64/96/82/782649682.db2.gz SEXAIBBIXQXHBH-PUHVVEEASA-N 1 1 322.369 -2.179 20 0 DAADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001116159784 782658529 /nfs/dbraw/zinc/65/85/29/782658529.db2.gz BFUNKLFRKOBMQL-JTQLQIEISA-N 1 1 322.369 -1.093 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001116601990 782663747 /nfs/dbraw/zinc/66/37/47/782663747.db2.gz VFQGSFWXLRYLAN-VIFPVBQESA-N 1 1 322.325 -1.137 20 0 DAADMO COc1ncncc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001116616227 782664975 /nfs/dbraw/zinc/66/49/75/782664975.db2.gz ANORHEWUMKFDCT-ZDUSSCGKSA-N 1 1 309.326 -1.394 20 0 DAADMO CCOCCOC[C@@H](O)CNC(=O)CN1CC[NH+](C)CC1 ZINC001116769605 782667303 /nfs/dbraw/zinc/66/73/03/782667303.db2.gz PPARULYEHHFUIU-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC001116958787 782671544 /nfs/dbraw/zinc/67/15/44/782671544.db2.gz YLMVKTGYCSJVNC-CYBMUJFWSA-N 1 1 322.413 -1.249 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001117093406 782674391 /nfs/dbraw/zinc/67/43/91/782674391.db2.gz XGHZYKSYRCDCTO-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1C[N@H+](C)CCO1 ZINC001117098878 782674741 /nfs/dbraw/zinc/67/47/41/782674741.db2.gz VNAGKNYWNOAETQ-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1C[N@@H+](C)CCO1 ZINC001117098878 782674749 /nfs/dbraw/zinc/67/47/49/782674749.db2.gz VNAGKNYWNOAETQ-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC001117180824 782678709 /nfs/dbraw/zinc/67/87/09/782678709.db2.gz WQZSXRKTZDEGHV-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001117275149 782680266 /nfs/dbraw/zinc/68/02/66/782680266.db2.gz SLBKQOIBHVFNQM-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001117275146 782680360 /nfs/dbraw/zinc/68/03/60/782680360.db2.gz SLBKQOIBHVFNQM-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCNC1=O ZINC001117306122 782682524 /nfs/dbraw/zinc/68/25/24/782682524.db2.gz IQEHIHKZJQORTO-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)n1C ZINC001117340004 782686173 /nfs/dbraw/zinc/68/61/73/782686173.db2.gz RTIHJTGMZXHPBZ-ZUZCIYMTSA-N 1 1 321.381 -1.057 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001117345356 782686769 /nfs/dbraw/zinc/68/67/69/782686769.db2.gz KIIBFLRFHBHGMP-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001117345356 782686776 /nfs/dbraw/zinc/68/67/76/782686776.db2.gz KIIBFLRFHBHGMP-CMPLNLGQSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC[N@H+]1C ZINC001117359439 782687502 /nfs/dbraw/zinc/68/75/02/782687502.db2.gz KSMQXGCQXNOFOH-OUAUKWLOSA-N 1 1 311.386 -1.146 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001117359120 782687662 /nfs/dbraw/zinc/68/76/62/782687662.db2.gz GNALEXNCKFAGMD-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC[C@H]1CCOC1 ZINC001117408553 782688826 /nfs/dbraw/zinc/68/88/26/782688826.db2.gz HMQLKNUEYSMXPF-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001117549165 782694307 /nfs/dbraw/zinc/69/43/07/782694307.db2.gz CLJAVHXIQYUGCB-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001117549162 782694410 /nfs/dbraw/zinc/69/44/10/782694410.db2.gz CLJAVHXIQYUGCB-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@]1(O)CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC001117935694 782701244 /nfs/dbraw/zinc/70/12/44/782701244.db2.gz ZHVKINCUAUBFMD-OAHLLOKOSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@]1(O)CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC001117935694 782701254 /nfs/dbraw/zinc/70/12/54/782701254.db2.gz ZHVKINCUAUBFMD-OAHLLOKOSA-N 1 1 313.398 -1.115 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001118172802 782704999 /nfs/dbraw/zinc/70/49/99/782704999.db2.gz KPDDZBNSMZKCCT-ONGXEEELSA-N 1 1 322.365 -1.397 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC001118272804 782710723 /nfs/dbraw/zinc/71/07/23/782710723.db2.gz JJOGKJUVMZONMC-UHFFFAOYSA-N 1 1 310.358 -1.730 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001118271104 782710924 /nfs/dbraw/zinc/71/09/24/782710924.db2.gz ILVIHWRAMYZDIL-LLVKDONJSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001118271104 782710933 /nfs/dbraw/zinc/71/09/33/782710933.db2.gz ILVIHWRAMYZDIL-LLVKDONJSA-N 1 1 310.354 -1.404 20 0 DAADMO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001118325767 782713630 /nfs/dbraw/zinc/71/36/30/782713630.db2.gz JZSHYLMQZBMCPV-FVCCEPFGSA-N 1 1 310.398 -1.493 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cnc(C(N)=O)n2)CCCO1 ZINC001118310011 782713821 /nfs/dbraw/zinc/71/38/21/782713821.db2.gz FLGVUFZRTGRLJC-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CCOC2)C1=O ZINC001118395974 782717428 /nfs/dbraw/zinc/71/74/28/782717428.db2.gz XQRTZQMCIQOSRQ-MFKMUULPSA-N 1 1 301.343 -1.364 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CCOC2)C1=O ZINC001118395972 782717611 /nfs/dbraw/zinc/71/76/11/782717611.db2.gz XQRTZQMCIQOSRQ-GWCFXTLKSA-N 1 1 301.343 -1.364 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O ZINC001118393520 782718131 /nfs/dbraw/zinc/71/81/31/782718131.db2.gz FELGYBYDMFFIDU-ZJUUUORDSA-N 1 1 313.358 -1.674 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]12CCOC2 ZINC001118394645 782718182 /nfs/dbraw/zinc/71/81/82/782718182.db2.gz GSAMJNHQLMTSIE-ZOWXZIJZSA-N 1 1 309.366 -1.345 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CCOC2)C1=O ZINC001118395973 782718483 /nfs/dbraw/zinc/71/84/83/782718483.db2.gz XQRTZQMCIQOSRQ-GXFFZTMASA-N 1 1 301.343 -1.364 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC([C@@H]2CCOC2)C1 ZINC001118391820 782718518 /nfs/dbraw/zinc/71/85/18/782718518.db2.gz CFPDKHWYUCBEOS-KWCYVHTRSA-N 1 1 323.393 -1.241 20 0 DAADMO Cc1noc(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001118399084 782719102 /nfs/dbraw/zinc/71/91/02/782719102.db2.gz BFJRCYGJQBMNJI-WDEREUQCSA-N 1 1 323.353 -1.686 20 0 DAADMO C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406904 782719552 /nfs/dbraw/zinc/71/95/52/782719552.db2.gz WVQITAHCJYASGG-XDNAVREGSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406904 782719558 /nfs/dbraw/zinc/71/95/58/782719558.db2.gz WVQITAHCJYASGG-XDNAVREGSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CS1(=O)=O ZINC001118552076 782725343 /nfs/dbraw/zinc/72/53/43/782725343.db2.gz FTADWTFMHXTFQH-NXEZZACHSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CS1(=O)=O ZINC001118552078 782725719 /nfs/dbraw/zinc/72/57/19/782725719.db2.gz FTADWTFMHXTFQH-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001118682481 782731084 /nfs/dbraw/zinc/73/10/84/782731084.db2.gz LWVKBDIAZYVJPY-YWPYICTPSA-N 1 1 310.398 -1.668 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149082397 782732228 /nfs/dbraw/zinc/73/22/28/782732228.db2.gz NXCTWKMKANKCCL-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149082397 782732237 /nfs/dbraw/zinc/73/22/37/782732237.db2.gz NXCTWKMKANKCCL-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149082034 782729086 /nfs/dbraw/zinc/72/90/86/782729086.db2.gz JSGNPXTYNGPPQI-NEPJUHHUSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149082034 782729089 /nfs/dbraw/zinc/72/90/89/782729089.db2.gz JSGNPXTYNGPPQI-NEPJUHHUSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149082037 782729545 /nfs/dbraw/zinc/72/95/45/782729545.db2.gz JSGNPXTYNGPPQI-VXGBXAGGSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149082037 782729551 /nfs/dbraw/zinc/72/95/51/782729551.db2.gz JSGNPXTYNGPPQI-VXGBXAGGSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149082035 782729633 /nfs/dbraw/zinc/72/96/33/782729633.db2.gz JSGNPXTYNGPPQI-NWDGAFQWSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149082035 782729638 /nfs/dbraw/zinc/72/96/38/782729638.db2.gz JSGNPXTYNGPPQI-NWDGAFQWSA-N 1 1 312.370 -1.782 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCOCC1 ZINC001118865591 782736297 /nfs/dbraw/zinc/73/62/97/782736297.db2.gz OTUMLLDLMLRVBK-NSHDSACASA-N 1 1 310.398 -1.037 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CCOCC1 ZINC001118865591 782736302 /nfs/dbraw/zinc/73/63/02/782736302.db2.gz OTUMLLDLMLRVBK-NSHDSACASA-N 1 1 310.398 -1.037 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001118907228 782739912 /nfs/dbraw/zinc/73/99/12/782739912.db2.gz LULHIQLCYWQMOX-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C[C@H]2C1=O ZINC001118971099 782744060 /nfs/dbraw/zinc/74/40/60/782744060.db2.gz TXQKSMBRXYFEJR-SDDRHHMPSA-N 1 1 323.397 -1.512 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149084148 782746100 /nfs/dbraw/zinc/74/61/00/782746100.db2.gz VZSZZGXCLMEHIU-ZDUSSCGKSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084775 782749307 /nfs/dbraw/zinc/74/93/07/782749307.db2.gz ZDCMYNYNWHTWSB-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084775 782749311 /nfs/dbraw/zinc/74/93/11/782749311.db2.gz ZDCMYNYNWHTWSB-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CCS1(=O)=O ZINC001119176299 782749616 /nfs/dbraw/zinc/74/96/16/782749616.db2.gz WURYTQXZUOSPDS-MWLCHTKSSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCS1(=O)=O ZINC001119176299 782749619 /nfs/dbraw/zinc/74/96/19/782749619.db2.gz WURYTQXZUOSPDS-MWLCHTKSSA-N 1 1 317.411 -1.111 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC001119182527 782750155 /nfs/dbraw/zinc/75/01/55/782750155.db2.gz BNQRNVLULDKKKB-XQQFMLRXSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001119197587 782750191 /nfs/dbraw/zinc/75/01/91/782750191.db2.gz GHCSQMNMKQZJEL-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nn1 ZINC001119380249 782752838 /nfs/dbraw/zinc/75/28/38/782752838.db2.gz UHKURTPSKFZLRC-GHMZBOCLSA-N 1 1 322.369 -1.189 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nn1 ZINC001119380255 782752939 /nfs/dbraw/zinc/75/29/39/782752939.db2.gz UHKURTPSKFZLRC-WDEREUQCSA-N 1 1 322.369 -1.189 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cn(C)nn1 ZINC001119379448 782753062 /nfs/dbraw/zinc/75/30/62/782753062.db2.gz AUAVJJHOIBMMSL-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO CN(CCCNC(=O)C(=O)Nc1cn(C)nn1)CC[NH+](C)C ZINC001119379448 782753068 /nfs/dbraw/zinc/75/30/68/782753068.db2.gz AUAVJJHOIBMMSL-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1=O ZINC001119499166 782754177 /nfs/dbraw/zinc/75/41/77/782754177.db2.gz UFOHXGOQIXUPNA-JTQLQIEISA-N 1 1 324.381 -1.197 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC001119499166 782754187 /nfs/dbraw/zinc/75/41/87/782754187.db2.gz UFOHXGOQIXUPNA-JTQLQIEISA-N 1 1 324.381 -1.197 20 0 DAADMO NC(=O)CC(=O)NCCC[NH+]1CCN([C@H]2CCNC2=O)CC1 ZINC001266260218 775118867 /nfs/dbraw/zinc/11/88/67/775118867.db2.gz PTVUWNVWWUYQJK-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[C@H]1CCC[N@H+]1CCO ZINC001266244927 775119037 /nfs/dbraw/zinc/11/90/37/775119037.db2.gz ZRFBVMXZURFMDM-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001282365245 775119172 /nfs/dbraw/zinc/11/91/72/775119172.db2.gz CPQSKLBYEITJAY-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO O=C(Cn1ncnn1)NCCC[NH+]1CCN(CCCO)CC1 ZINC001266262279 775119373 /nfs/dbraw/zinc/11/93/73/775119373.db2.gz GHXRMIRSZNKOAU-UHFFFAOYSA-N 1 1 311.390 -1.821 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001282366068 775119429 /nfs/dbraw/zinc/11/94/29/775119429.db2.gz HNPDVRBDNPLAIA-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001282366068 775119434 /nfs/dbraw/zinc/11/94/34/775119434.db2.gz HNPDVRBDNPLAIA-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO NC(=O)CC(=O)NCCC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001266260217 775120188 /nfs/dbraw/zinc/12/01/88/775120188.db2.gz PTVUWNVWWUYQJK-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001279339856 775120536 /nfs/dbraw/zinc/12/05/36/775120536.db2.gz OZCYARNTSXBSPK-TXEJJXNPSA-N 1 1 320.411 -1.570 20 0 DAADMO C[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)c2cnn(C)n2)CC1 ZINC001266274013 775121817 /nfs/dbraw/zinc/12/18/17/775121817.db2.gz WRPMHEJHVSCFMO-LLVKDONJSA-N 1 1 323.401 -1.574 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266269214 775121899 /nfs/dbraw/zinc/12/18/99/775121899.db2.gz BZBRZSUSBRTADP-NSHDSACASA-N 1 1 313.402 -1.893 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001266269844 775121948 /nfs/dbraw/zinc/12/19/48/775121948.db2.gz QPXZLHHJCBVSND-LLVKDONJSA-N 1 1 311.386 -2.268 20 0 DAADMO C[N@H+](CCNC(=O)CC1OCCCO1)[C@@H]1CCC(=O)NC1=O ZINC001266270002 775121985 /nfs/dbraw/zinc/12/19/85/775121985.db2.gz IEZOMLXLALYWPS-SNVBAGLBSA-N 1 1 313.354 -1.007 20 0 DAADMO C[N@@H+](CCNC(=O)CC1OCCCO1)[C@@H]1CCC(=O)NC1=O ZINC001266270002 775121992 /nfs/dbraw/zinc/12/19/92/775121992.db2.gz IEZOMLXLALYWPS-SNVBAGLBSA-N 1 1 313.354 -1.007 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001266270431 775122149 /nfs/dbraw/zinc/12/21/49/775122149.db2.gz RUWNRFRPOPOXCA-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)CCN1CCNC1=O ZINC001266285429 775123077 /nfs/dbraw/zinc/12/30/77/775123077.db2.gz YDKQGWHPKNGRPJ-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001211497991 775123149 /nfs/dbraw/zinc/12/31/49/775123149.db2.gz WQRFDGIQDYVVAA-OUAUKWLOSA-N 1 1 324.381 -1.388 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001211497991 775123159 /nfs/dbraw/zinc/12/31/59/775123159.db2.gz WQRFDGIQDYVVAA-OUAUKWLOSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001266282929 775123200 /nfs/dbraw/zinc/12/32/00/775123200.db2.gz XMCJJCMOFHPLQH-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)C(C)(C)C(N)=O)S(C)(=O)=O ZINC001266285313 775123249 /nfs/dbraw/zinc/12/32/49/775123249.db2.gz VBCGCMXIQFEIJO-UHFFFAOYSA-N 1 1 322.431 -1.563 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O)S(C)(=O)=O ZINC001266285313 775123254 /nfs/dbraw/zinc/12/32/54/775123254.db2.gz VBCGCMXIQFEIJO-UHFFFAOYSA-N 1 1 322.431 -1.563 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001266288615 775123823 /nfs/dbraw/zinc/12/38/23/775123823.db2.gz KIDMUEKKKQVBAU-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001266288615 775123827 /nfs/dbraw/zinc/12/38/27/775123827.db2.gz KIDMUEKKKQVBAU-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)c1cnon1 ZINC001266294663 775125016 /nfs/dbraw/zinc/12/50/16/775125016.db2.gz GPIURVQTGPJHJO-UHFFFAOYSA-N 1 1 313.358 -1.574 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001208428240 775125064 /nfs/dbraw/zinc/12/50/64/775125064.db2.gz PZFAMIVLPQJNJA-VXNVDRBHSA-N 1 1 322.325 -1.985 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001208428240 775125068 /nfs/dbraw/zinc/12/50/68/775125068.db2.gz PZFAMIVLPQJNJA-VXNVDRBHSA-N 1 1 322.325 -1.985 20 0 DAADMO COCCOCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001279347323 775125116 /nfs/dbraw/zinc/12/51/16/775125116.db2.gz LELBWDYHUGXQMO-XQQFMLRXSA-N 1 1 311.382 -1.072 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266310265 775127509 /nfs/dbraw/zinc/12/75/09/775127509.db2.gz FQJXYTJGNMJHFI-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266310265 775127517 /nfs/dbraw/zinc/12/75/17/775127517.db2.gz FQJXYTJGNMJHFI-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001266311156 775128012 /nfs/dbraw/zinc/12/80/12/775128012.db2.gz SFAVWBOEZLHUCI-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001266310933 775128283 /nfs/dbraw/zinc/12/82/83/775128283.db2.gz OFRNSSXNKOHJOX-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001266338038 775130754 /nfs/dbraw/zinc/13/07/54/775130754.db2.gz VGOFJVRSBIJALP-UHFFFAOYSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001266338038 775130763 /nfs/dbraw/zinc/13/07/63/775130763.db2.gz VGOFJVRSBIJALP-UHFFFAOYSA-N 1 1 313.358 -1.984 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)CCn1cncn1 ZINC001266338090 775131008 /nfs/dbraw/zinc/13/10/08/775131008.db2.gz XBQZXLNIFLNCAG-UHFFFAOYSA-N 1 1 308.342 -1.621 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001266327379 775131075 /nfs/dbraw/zinc/13/10/75/775131075.db2.gz DJYRYPNLTHWABB-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)CCCF)C1=O ZINC001266332268 775131383 /nfs/dbraw/zinc/13/13/83/775131383.db2.gz JAWPNFCLQWLFDM-UHFFFAOYSA-N 1 1 302.306 -1.185 20 0 DAADMO C[N@H+](CCNC(=O)CCn1cnnn1)[C@@H]1CCC(=O)NC1=O ZINC001266341770 775133170 /nfs/dbraw/zinc/13/31/70/775133170.db2.gz CEWJTMFHUMTOBM-SECBINFHSA-N 1 1 309.330 -2.084 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)[C@@H]1CCC(=O)NC1=O ZINC001266341770 775133173 /nfs/dbraw/zinc/13/31/73/775133173.db2.gz CEWJTMFHUMTOBM-SECBINFHSA-N 1 1 309.330 -2.084 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266349408 775133365 /nfs/dbraw/zinc/13/33/65/775133365.db2.gz FWJKVPBRYJZUMP-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266349408 775133372 /nfs/dbraw/zinc/13/33/72/775133372.db2.gz FWJKVPBRYJZUMP-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)CCN1CCCC1=O ZINC001266357593 775135420 /nfs/dbraw/zinc/13/54/20/775135420.db2.gz AWEQECRVAQVPTR-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001266359333 775135462 /nfs/dbraw/zinc/13/54/62/775135462.db2.gz SZADMGPTGPFRPF-LLVKDONJSA-N 1 1 313.354 -1.665 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266357002 775135499 /nfs/dbraw/zinc/13/54/99/775135499.db2.gz JSXQKHOUZSWKMI-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266357002 775135511 /nfs/dbraw/zinc/13/55/11/775135511.db2.gz JSXQKHOUZSWKMI-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1N)[C@@H]1CCC(=O)NC1=O ZINC001266379947 775136231 /nfs/dbraw/zinc/13/62/31/775136231.db2.gz FDVRDVLXANUIFB-SECBINFHSA-N 1 1 320.353 -1.084 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1N)[C@H]1CCC(=O)NC1=O ZINC001266379949 775136445 /nfs/dbraw/zinc/13/64/45/775136445.db2.gz FDVRDVLXANUIFB-VIFPVBQESA-N 1 1 320.353 -1.084 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)c1N)[C@H]1CCC(=O)NC1=O ZINC001266386268 775137269 /nfs/dbraw/zinc/13/72/69/775137269.db2.gz XYQMNUIWANZXQD-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001266394572 775138297 /nfs/dbraw/zinc/13/82/97/775138297.db2.gz UDWIGHGSPMEROR-DTWKUNHWSA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001098528992 775138399 /nfs/dbraw/zinc/13/83/99/775138399.db2.gz SVJCNOQTELQNHE-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)CC(=O)NC ZINC001266394509 775138690 /nfs/dbraw/zinc/13/86/90/775138690.db2.gz SCCHMRGVTGQTKD-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)CC(=O)NC ZINC001266394509 775138694 /nfs/dbraw/zinc/13/86/94/775138694.db2.gz SCCHMRGVTGQTKD-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)C[C@@H](O)COC ZINC001266396941 775138915 /nfs/dbraw/zinc/13/89/15/775138915.db2.gz ORMQQKWCCLSHMH-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)CC(N)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001266383411 775139092 /nfs/dbraw/zinc/13/90/92/775139092.db2.gz NSFFUQGRMHGAKE-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(N)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001266383411 775139099 /nfs/dbraw/zinc/13/90/99/775139099.db2.gz NSFFUQGRMHGAKE-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnc[nH]1)CCN1C(=O)CNC1=O ZINC001266422783 775140551 /nfs/dbraw/zinc/14/05/51/775140551.db2.gz PIZCSVLRWGGBDG-UHFFFAOYSA-N 1 1 309.330 -1.592 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn[nH]1)CCN1C(=O)CNC1=O ZINC001266422783 775140555 /nfs/dbraw/zinc/14/05/55/775140555.db2.gz PIZCSVLRWGGBDG-UHFFFAOYSA-N 1 1 309.330 -1.592 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn[nH]1)CCN1C(=O)CNC1=O ZINC001266422783 775140560 /nfs/dbraw/zinc/14/05/60/775140560.db2.gz PIZCSVLRWGGBDG-UHFFFAOYSA-N 1 1 309.330 -1.592 20 0 DAADMO CC[N@H+](CCNC(=O)c1nc[nH]n1)CCN1C(=O)CNC1=O ZINC001266422783 775140565 /nfs/dbraw/zinc/14/05/65/775140565.db2.gz PIZCSVLRWGGBDG-UHFFFAOYSA-N 1 1 309.330 -1.592 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nc[nH]n1)CCN1C(=O)CNC1=O ZINC001266422783 775140570 /nfs/dbraw/zinc/14/05/70/775140570.db2.gz PIZCSVLRWGGBDG-UHFFFAOYSA-N 1 1 309.330 -1.592 20 0 DAADMO Cn1cncc1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098533004 775141938 /nfs/dbraw/zinc/14/19/38/775141938.db2.gz OJJFGUQOALPOST-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)CC(=O)NC ZINC001266434964 775142157 /nfs/dbraw/zinc/14/21/57/775142157.db2.gz VYQGMOJXZPMBIJ-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)CC(=O)NC ZINC001266434964 775142164 /nfs/dbraw/zinc/14/21/64/775142164.db2.gz VYQGMOJXZPMBIJ-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[N@@H+](CCOCCO)CC1(C)C ZINC001282787229 775142609 /nfs/dbraw/zinc/14/26/09/775142609.db2.gz UCIWFRVLDSILRH-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCN1C(=O)CCC1=O ZINC001266464450 775143699 /nfs/dbraw/zinc/14/36/99/775143699.db2.gz AQQCATAQIJVLRM-NSHDSACASA-N 1 1 324.381 -1.019 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCCN1C(=O)CCC1=O ZINC001266464450 775143706 /nfs/dbraw/zinc/14/37/06/775143706.db2.gz AQQCATAQIJVLRM-NSHDSACASA-N 1 1 324.381 -1.019 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001266509276 775145843 /nfs/dbraw/zinc/14/58/43/775145843.db2.gz NJQJEJBEXRHXJG-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266499431 775146090 /nfs/dbraw/zinc/14/60/90/775146090.db2.gz ANJAJFTWKWORHW-RYUDHWBXSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCOCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001266508108 775146651 /nfs/dbraw/zinc/14/66/51/775146651.db2.gz GDWARNLSUWVVEV-CHWSQXEVSA-N 1 1 313.398 -1.040 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517045 775148612 /nfs/dbraw/zinc/14/86/12/775148612.db2.gz FIWSICVZVSZIII-IUCAKERBSA-N 1 1 311.342 -2.231 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266527788 775149882 /nfs/dbraw/zinc/14/98/82/775149882.db2.gz DIFAGWYMJLNOFQ-NXEZZACHSA-N 1 1 303.384 -1.656 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001098538131 775149917 /nfs/dbraw/zinc/14/99/17/775149917.db2.gz HFBSRIHHDJCBEL-NSHDSACASA-N 1 1 312.370 -1.964 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001266519473 775150390 /nfs/dbraw/zinc/15/03/90/775150390.db2.gz MKKDDYKSOAFAAF-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001266537348 775153669 /nfs/dbraw/zinc/15/36/69/775153669.db2.gz JWFNPUFDHYEABM-LBPRGKRZSA-N 1 1 313.398 -1.040 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001266537978 775153802 /nfs/dbraw/zinc/15/38/02/775153802.db2.gz WEVHOKGUOWLUJD-RYUDHWBXSA-N 1 1 313.398 -1.042 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001266540480 775153927 /nfs/dbraw/zinc/15/39/27/775153927.db2.gz XNHMIEAYXLTQJL-LBPRGKRZSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001125414315 775154999 /nfs/dbraw/zinc/15/49/99/775154999.db2.gz JWUNBYKMHRGIQM-NSHDSACASA-N 1 1 324.385 -1.404 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125414294 775155160 /nfs/dbraw/zinc/15/51/60/775155160.db2.gz JHDUDZYKLJDGNQ-UHFFFAOYSA-N 1 1 304.376 -2.008 20 0 DAADMO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001266559485 775155573 /nfs/dbraw/zinc/15/55/73/775155573.db2.gz BUVHAZWVDCNDTR-LBPRGKRZSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419468 775156734 /nfs/dbraw/zinc/15/67/34/775156734.db2.gz FUIVJAUPOAAEHF-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167355734 775156837 /nfs/dbraw/zinc/15/68/37/775156837.db2.gz YJTOOCBSPGEXIT-UHFFFAOYSA-N 1 1 310.358 -1.106 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001125419406 775156846 /nfs/dbraw/zinc/15/68/46/775156846.db2.gz BOQWHMKWFINNHG-UHFFFAOYSA-N 1 1 323.357 -2.599 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419699 775157019 /nfs/dbraw/zinc/15/70/19/775157019.db2.gz QPQBAQCFHZYQHU-MRVPVSSYSA-N 1 1 311.346 -1.713 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125419700 775157037 /nfs/dbraw/zinc/15/70/37/775157037.db2.gz QPQBAQCFHZYQHU-QMMMGPOBSA-N 1 1 311.346 -1.713 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001167388404 775160708 /nfs/dbraw/zinc/16/07/08/775160708.db2.gz NSDAEJMSFQOAHW-QMMMGPOBSA-N 1 1 324.341 -1.174 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001167388331 775161237 /nfs/dbraw/zinc/16/12/37/775161237.db2.gz KNRYBFIGOARZIO-QMMMGPOBSA-N 1 1 310.314 -1.428 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471551 775167348 /nfs/dbraw/zinc/16/73/48/775167348.db2.gz PZSVDBSFXSMYTK-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471551 775167351 /nfs/dbraw/zinc/16/73/51/775167351.db2.gz PZSVDBSFXSMYTK-NOZJJQNGSA-N 1 1 300.359 -2.061 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149255828 775168348 /nfs/dbraw/zinc/16/83/48/775168348.db2.gz GUXVHFGBTLHBMZ-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149255828 775168354 /nfs/dbraw/zinc/16/83/54/775168354.db2.gz GUXVHFGBTLHBMZ-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149257021 775169942 /nfs/dbraw/zinc/16/99/42/775169942.db2.gz WEJZHRZOQWPALX-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)COCc1nccn1C ZINC001266736337 775174973 /nfs/dbraw/zinc/17/49/73/775174973.db2.gz LMHTWSFMTDNPDB-UHFFFAOYSA-N 1 1 322.373 -1.292 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266755251 775176019 /nfs/dbraw/zinc/17/60/19/775176019.db2.gz NVGKZCNSVSPYIH-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266755251 775176025 /nfs/dbraw/zinc/17/60/25/775176025.db2.gz NVGKZCNSVSPYIH-NSHDSACASA-N 1 1 324.381 -1.161 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001266767707 775177060 /nfs/dbraw/zinc/17/70/60/775177060.db2.gz QGXRCJPOINQKHV-MNOVXSKESA-N 1 1 312.370 -1.205 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001266768012 775177095 /nfs/dbraw/zinc/17/70/95/775177095.db2.gz WFNWEIPXIBCFAA-LLVKDONJSA-N 1 1 312.370 -1.251 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971468497 775177414 /nfs/dbraw/zinc/17/74/14/775177414.db2.gz SLFGQIILQKTOHC-VIFPVBQESA-N 1 1 320.357 -1.417 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266847836 775181426 /nfs/dbraw/zinc/18/14/26/775181426.db2.gz ANTIVQDOZSSLDZ-QMMMGPOBSA-N 1 1 309.330 -2.039 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCN1CCOCC1 ZINC001213581243 775182276 /nfs/dbraw/zinc/18/22/76/775182276.db2.gz SOQXWDDNIPYHHE-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(CNC(=O)C1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114989143 775182578 /nfs/dbraw/zinc/18/25/78/775182578.db2.gz PCIZUPAVTLIOEH-IMRBUKKESA-N 1 1 311.382 -1.432 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586441 775182946 /nfs/dbraw/zinc/18/29/46/775182946.db2.gz WSYAGIXFENTQTJ-BHDSKKPTSA-N 1 1 311.386 -1.240 20 0 DAADMO NC(=O)NCCC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098556717 775184060 /nfs/dbraw/zinc/18/40/60/775184060.db2.gz XXOFOVAZLRGXHC-UHFFFAOYSA-N 1 1 316.402 -1.288 20 0 DAADMO C[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001283256319 775186523 /nfs/dbraw/zinc/18/65/23/775186523.db2.gz JEZGBPDJUTXCHW-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001266932880 775187249 /nfs/dbraw/zinc/18/72/49/775187249.db2.gz JGWWVJWNGRATJH-JTQLQIEISA-N 1 1 324.385 -1.071 20 0 DAADMO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)Cc1ncn[nH]1 ZINC001266966346 775189948 /nfs/dbraw/zinc/18/99/48/775189948.db2.gz OJFWBLRWRASUTI-UHFFFAOYSA-N 1 1 308.342 -1.456 20 0 DAADMO CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266979922 775191767 /nfs/dbraw/zinc/19/17/67/775191767.db2.gz LSWSFRLIIJWGKR-NSHDSACASA-N 1 1 310.402 -1.002 20 0 DAADMO C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001266992007 775192428 /nfs/dbraw/zinc/19/24/28/775192428.db2.gz XJLCQHPAHADGCL-WCBMZHEXSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001266998841 775192624 /nfs/dbraw/zinc/19/26/24/775192624.db2.gz PIPMCRDENVXQTF-SFYZADRCSA-N 1 1 309.330 -2.143 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001266998747 775193015 /nfs/dbraw/zinc/19/30/15/775193015.db2.gz OKAXEIBZYXFNLC-UWVGGRQHSA-N 1 1 311.390 -1.048 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125561600 775194953 /nfs/dbraw/zinc/19/49/53/775194953.db2.gz IBOTUZGGPJGGQI-VIFPVBQESA-N 1 1 310.358 -1.189 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001267007870 775195305 /nfs/dbraw/zinc/19/53/05/775195305.db2.gz SJCKVLHELPGCHS-NSHDSACASA-N 1 1 315.399 -1.308 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CCC1 ZINC001267024825 775196466 /nfs/dbraw/zinc/19/64/66/775196466.db2.gz UPUOCCYOPCTGRH-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001267020246 775196755 /nfs/dbraw/zinc/19/67/55/775196755.db2.gz YMJYVRKUMSIQAN-UHFFFAOYSA-N 1 1 319.387 -1.183 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)c1ccc(=O)n(C)n1 ZINC001267034114 775197520 /nfs/dbraw/zinc/19/75/20/775197520.db2.gz BFHMIPLMMHWCEP-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO CCOCCOCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001267026075 775197695 /nfs/dbraw/zinc/19/76/95/775197695.db2.gz DTUWRUQEFVYAQP-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)CN1C(=O)CNC1=O ZINC001267040744 775198016 /nfs/dbraw/zinc/19/80/16/775198016.db2.gz WRIUZPMGGBDYJW-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001267040461 775198286 /nfs/dbraw/zinc/19/82/86/775198286.db2.gz OKMLLSWZVMDRGT-UHFFFAOYSA-N 1 1 309.330 -1.787 20 0 DAADMO Cc1nccn1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098562296 775201090 /nfs/dbraw/zinc/20/10/90/775201090.db2.gz WBZQFABZBNZUQS-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCCS1(=O)=O ZINC001267099218 775203559 /nfs/dbraw/zinc/20/35/59/775203559.db2.gz QKPSHBQHQNJHFT-NSHDSACASA-N 1 1 315.399 -1.060 20 0 DAADMO C[N@H+](CCOCCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001267099385 775203668 /nfs/dbraw/zinc/20/36/68/775203668.db2.gz ABMPFOIFEDUHKA-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001267099385 775203675 /nfs/dbraw/zinc/20/36/75/775203675.db2.gz ABMPFOIFEDUHKA-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001279573563 775203695 /nfs/dbraw/zinc/20/36/95/775203695.db2.gz GXKGDTGKDDXZRQ-UHFFFAOYSA-N 1 1 323.397 -1.104 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001279573563 775203701 /nfs/dbraw/zinc/20/37/01/775203701.db2.gz GXKGDTGKDDXZRQ-UHFFFAOYSA-N 1 1 323.397 -1.104 20 0 DAADMO C[N@H+](CCOCCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001267099383 775203981 /nfs/dbraw/zinc/20/39/81/775203981.db2.gz ABMPFOIFEDUHKA-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001267099383 775203989 /nfs/dbraw/zinc/20/39/89/775203989.db2.gz ABMPFOIFEDUHKA-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O)c1nnnn1C ZINC001087207581 775204884 /nfs/dbraw/zinc/20/48/84/775204884.db2.gz LFEVXCGZWGKOOI-UTLUCORTSA-N 1 1 309.374 -1.027 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125616000 775208330 /nfs/dbraw/zinc/20/83/30/775208330.db2.gz XOPXTZIPJXKWGZ-SNVBAGLBSA-N 1 1 309.374 -1.014 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267159786 775208651 /nfs/dbraw/zinc/20/86/51/775208651.db2.gz YCARPYWCHOUEEN-SECBINFHSA-N 1 1 308.342 -1.584 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@H]1CCNC(=O)C1 ZINC001125616007 775208902 /nfs/dbraw/zinc/20/89/02/775208902.db2.gz XYSPNNGLLZGRNO-VIFPVBQESA-N 1 1 307.358 -1.260 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267193102 775210189 /nfs/dbraw/zinc/21/01/89/775210189.db2.gz XXFUOMMWPVBLDA-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001267193102 775210193 /nfs/dbraw/zinc/21/01/93/775210193.db2.gz XXFUOMMWPVBLDA-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc[nH]c1=O)[C@@H]1CCC(=O)NC1=O ZINC001267204365 775212595 /nfs/dbraw/zinc/21/25/95/775212595.db2.gz ZDQPEPVKICDEGU-SECBINFHSA-N 1 1 307.310 -1.351 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc[nH]c1=O)[C@@H]1CCC(=O)NC1=O ZINC001267204365 775212606 /nfs/dbraw/zinc/21/26/06/775212606.db2.gz ZDQPEPVKICDEGU-SECBINFHSA-N 1 1 307.310 -1.351 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1c[nH]cn1)CCN1C(=O)CNC1=O ZINC001267199847 775213142 /nfs/dbraw/zinc/21/31/42/775213142.db2.gz XOYBKVVAPNVVTR-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO C[N@H+](CCNC(=O)CCc1cnc[nH]1)CCN1C(=O)CNC1=O ZINC001267199847 775213147 /nfs/dbraw/zinc/21/31/47/775213147.db2.gz XOYBKVVAPNVVTR-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1cnc[nH]1)CCN1C(=O)CNC1=O ZINC001267199847 775213157 /nfs/dbraw/zinc/21/31/57/775213157.db2.gz XOYBKVVAPNVVTR-UHFFFAOYSA-N 1 1 322.369 -1.058 20 0 DAADMO Cn1cc(CC[N@@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC001267199835 775213356 /nfs/dbraw/zinc/21/33/56/775213356.db2.gz WUIKGYSWZBZDAN-NSHDSACASA-N 1 1 322.369 -1.391 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1=O ZINC001267204869 775213665 /nfs/dbraw/zinc/21/36/65/775213665.db2.gz OCUDETMJAVLBHP-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1=O ZINC001267204869 775213671 /nfs/dbraw/zinc/21/36/71/775213671.db2.gz OCUDETMJAVLBHP-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001267220162 775214855 /nfs/dbraw/zinc/21/48/55/775214855.db2.gz KMCBUOJCFLJICA-VIFPVBQESA-N 1 1 314.342 -1.510 20 0 DAADMO C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCN1C(=O)CNC1=O ZINC001267212959 775215094 /nfs/dbraw/zinc/21/50/94/775215094.db2.gz WLFLYFMRCRLBKP-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCN1C(=O)CNC1=O ZINC001267212959 775215100 /nfs/dbraw/zinc/21/51/00/775215100.db2.gz WLFLYFMRCRLBKP-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)CCN1C(=O)CNC1=O ZINC001267212959 775215105 /nfs/dbraw/zinc/21/51/05/775215105.db2.gz WLFLYFMRCRLBKP-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)CCN1C(=O)CNC1=O ZINC001267212959 775215110 /nfs/dbraw/zinc/21/51/10/775215110.db2.gz WLFLYFMRCRLBKP-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO Cn1c(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001267211841 775215536 /nfs/dbraw/zinc/21/55/36/775215536.db2.gz IFNPLTLIBBPPDV-MRVPVSSYSA-N 1 1 309.326 -1.408 20 0 DAADMO Cn1c(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001267211841 775215540 /nfs/dbraw/zinc/21/55/40/775215540.db2.gz IFNPLTLIBBPPDV-MRVPVSSYSA-N 1 1 309.326 -1.408 20 0 DAADMO C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@@H]1CCC(=O)NC1=O ZINC001267213277 775215723 /nfs/dbraw/zinc/21/57/23/775215723.db2.gz GKJDYPBRKCHUIG-SECBINFHSA-N 1 1 307.310 -1.763 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@@H]1CCC(=O)NC1=O ZINC001267213277 775215730 /nfs/dbraw/zinc/21/57/30/775215730.db2.gz GKJDYPBRKCHUIG-SECBINFHSA-N 1 1 307.310 -1.763 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)n1 ZINC001114949262 775215785 /nfs/dbraw/zinc/21/57/85/775215785.db2.gz JWZOPTCNIXPWLP-AXTSPUMRSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)n1 ZINC001114949262 775215791 /nfs/dbraw/zinc/21/57/91/775215791.db2.gz JWZOPTCNIXPWLP-AXTSPUMRSA-N 1 1 320.353 -1.038 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267229104 775216040 /nfs/dbraw/zinc/21/60/40/775216040.db2.gz IKTMYJKNMZUZCJ-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114992325 775216697 /nfs/dbraw/zinc/21/66/97/775216697.db2.gz SBLSGXJCOYXXSY-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncn1 ZINC001114992325 775216702 /nfs/dbraw/zinc/21/67/02/775216702.db2.gz SBLSGXJCOYXXSY-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)on1 ZINC001267230575 775217365 /nfs/dbraw/zinc/21/73/65/775217365.db2.gz SZTSQDVVLIZPOZ-JTQLQIEISA-N 1 1 314.342 -1.023 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cncn1)[C@H]1CCC(=O)NC1=O ZINC001267235422 775217803 /nfs/dbraw/zinc/21/78/03/775217803.db2.gz BMCVFHJWQUTYKM-NSHDSACASA-N 1 1 322.369 -1.089 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001267229446 775217837 /nfs/dbraw/zinc/21/78/37/775217837.db2.gz NNNKZBDVZNRJCV-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001267229446 775217843 /nfs/dbraw/zinc/21/78/43/775217843.db2.gz NNNKZBDVZNRJCV-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001267235177 775218360 /nfs/dbraw/zinc/21/83/60/775218360.db2.gz WJCTUTWECKGJMP-UWVGGRQHSA-N 1 1 301.343 -1.906 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)CCn1cncn1 ZINC001267252161 775219908 /nfs/dbraw/zinc/21/99/08/775219908.db2.gz DVZRPMDBZSRQCE-UHFFFAOYSA-N 1 1 322.369 -1.231 20 0 DAADMO CC[N@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001267255724 775220082 /nfs/dbraw/zinc/22/00/82/775220082.db2.gz AZRVAIUYNOMLNY-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001267255724 775220088 /nfs/dbraw/zinc/22/00/88/775220088.db2.gz AZRVAIUYNOMLNY-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCNC1=O)CC(=O)NC(=O)NC ZINC001267247502 775220458 /nfs/dbraw/zinc/22/04/58/775220458.db2.gz PASJNGZHVDHQBK-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)CC(=O)NC(=O)NC ZINC001267247502 775220459 /nfs/dbraw/zinc/22/04/59/775220459.db2.gz PASJNGZHVDHQBK-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263492 775220714 /nfs/dbraw/zinc/22/07/14/775220714.db2.gz JYXCOLAIMNDTMP-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCNC1=O)CC(=O)NC(=O)NC ZINC001267247503 775220768 /nfs/dbraw/zinc/22/07/68/775220768.db2.gz PASJNGZHVDHQBK-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)CC(=O)NC(=O)NC ZINC001267247503 775220774 /nfs/dbraw/zinc/22/07/74/775220774.db2.gz PASJNGZHVDHQBK-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125676896 775222369 /nfs/dbraw/zinc/22/23/69/775222369.db2.gz XQVXDKJNZNNYPV-JTQLQIEISA-N 1 1 323.353 -1.033 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)CC1 ZINC001267274512 775222441 /nfs/dbraw/zinc/22/24/41/775222441.db2.gz PNKAAYVETMAOKH-ZJUUUORDSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)CC1 ZINC001267274512 775222445 /nfs/dbraw/zinc/22/24/45/775222445.db2.gz PNKAAYVETMAOKH-ZJUUUORDSA-N 1 1 322.365 -1.362 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267285650 775224001 /nfs/dbraw/zinc/22/40/01/775224001.db2.gz LYNPVCRFDFJIOW-QWRGUYRKSA-N 1 1 310.354 -1.634 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001267291783 775224811 /nfs/dbraw/zinc/22/48/11/775224811.db2.gz MFVODPYZXBPFNS-CYBMUJFWSA-N 1 1 313.398 -1.088 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@@H](C)C(N)=O ZINC001267319518 775225329 /nfs/dbraw/zinc/22/53/29/775225329.db2.gz KIYXAZOTUAAESG-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)no1 ZINC001267306960 775225919 /nfs/dbraw/zinc/22/59/19/775225919.db2.gz ZUKSCRZSZKTBOE-SECBINFHSA-N 1 1 309.326 -1.155 20 0 DAADMO Cc1nonc1C[NH2+]CCN(CCO)C(=O)[C@H]1COCCO1 ZINC001279660029 775228888 /nfs/dbraw/zinc/22/88/88/775228888.db2.gz DIRBIMSZNFKHCM-GFCCVEGCSA-N 1 1 314.342 -1.296 20 0 DAADMO CC[C@@]1(C(=O)N(C)CC[NH2+]Cc2nnnn2C)CCNC1=O ZINC001267386978 775235567 /nfs/dbraw/zinc/23/55/67/775235567.db2.gz YYGKHKLRMOARFZ-CYBMUJFWSA-N 1 1 309.374 -1.326 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)CC1CS(=O)(=O)C1 ZINC001267394844 775236811 /nfs/dbraw/zinc/23/68/11/775236811.db2.gz LEMZXVAXGMEYRI-UHFFFAOYSA-N 1 1 315.399 -1.202 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cc(C)on1 ZINC001267409460 775237006 /nfs/dbraw/zinc/23/70/06/775237006.db2.gz SAYCVLINORZLND-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414858 775237331 /nfs/dbraw/zinc/23/73/31/775237331.db2.gz SAPRNSUMLMFELA-SNVBAGLBSA-N 1 1 322.373 -1.420 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001267416428 775238420 /nfs/dbraw/zinc/23/84/20/775238420.db2.gz QADPJSJQWGYCEC-CYBMUJFWSA-N 1 1 309.374 -1.326 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001267433069 775238832 /nfs/dbraw/zinc/23/88/32/775238832.db2.gz LYFWRDYZFWHWAK-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1cccc(=O)n1C ZINC001267426417 775239504 /nfs/dbraw/zinc/23/95/04/775239504.db2.gz VEYNZNKHRMRLPB-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)C1CCC1 ZINC001114959486 775240077 /nfs/dbraw/zinc/24/00/77/775240077.db2.gz DRRSKCKNWYZDIT-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)C1CCC1 ZINC001114959486 775240084 /nfs/dbraw/zinc/24/00/84/775240084.db2.gz DRRSKCKNWYZDIT-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)CN1CCC(=O)NC1=O ZINC001267452820 775240539 /nfs/dbraw/zinc/24/05/39/775240539.db2.gz UIEBBCXRJWEBDN-UHFFFAOYSA-N 1 1 324.345 -2.300 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001279673659 775240595 /nfs/dbraw/zinc/24/05/95/775240595.db2.gz XNFPJQWFUVUQTC-SNVBAGLBSA-N 1 1 310.358 -1.698 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1cccn(C)c1=O ZINC001267457499 775241527 /nfs/dbraw/zinc/24/15/27/775241527.db2.gz IUXTYBMVLYJWAQ-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114944495 775242424 /nfs/dbraw/zinc/24/24/24/775242424.db2.gz GUDSFAAKLHTWKI-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267462513 775243566 /nfs/dbraw/zinc/24/35/66/775243566.db2.gz MCAUHDBYFMUJBB-UHFFFAOYSA-N 1 1 317.415 -1.141 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001267470233 775244308 /nfs/dbraw/zinc/24/43/08/775244308.db2.gz GVDQYEAROBINDG-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114944837 775244602 /nfs/dbraw/zinc/24/46/02/775244602.db2.gz JUNUPZFRFWBEIS-HBYGRHMLSA-N 1 1 308.382 -1.210 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114944837 775244611 /nfs/dbraw/zinc/24/46/11/775244611.db2.gz JUNUPZFRFWBEIS-HBYGRHMLSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267502355 775246979 /nfs/dbraw/zinc/24/69/79/775246979.db2.gz SCERWIHVZADXQH-NWDGAFQWSA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)CC(=O)NCC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001267514139 775247755 /nfs/dbraw/zinc/24/77/55/775247755.db2.gz SHUSVBQMGWMZNB-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@H]2COC(=O)N2)[nH]1 ZINC001279704943 775248895 /nfs/dbraw/zinc/24/88/95/775248895.db2.gz JIDHIDNICUYVKX-SECBINFHSA-N 1 1 312.330 -1.868 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2COC(=O)N2)[nH]1 ZINC001279704949 775248929 /nfs/dbraw/zinc/24/89/29/775248929.db2.gz JIDHIDNICUYVKX-VIFPVBQESA-N 1 1 312.330 -1.868 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@H]2COC(=O)N2)nc1 ZINC001279704411 775249186 /nfs/dbraw/zinc/24/91/86/775249186.db2.gz BGTUHRDPUCFVOR-LLVKDONJSA-N 1 1 323.353 -1.196 20 0 DAADMO NC(=O)C(=O)NCC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001267570360 775250435 /nfs/dbraw/zinc/25/04/35/775250435.db2.gz NMIDYFICTPENOA-SECBINFHSA-N 1 1 307.358 -1.179 20 0 DAADMO NC(=O)C(=O)NCC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001267570360 775250444 /nfs/dbraw/zinc/25/04/44/775250444.db2.gz NMIDYFICTPENOA-SECBINFHSA-N 1 1 307.358 -1.179 20 0 DAADMO CC(=O)N1CC(C(=O)N(CCO)CC[NH2+]Cc2ccn(C)n2)C1 ZINC001279705563 775250579 /nfs/dbraw/zinc/25/05/79/775250579.db2.gz YBLJDJBBBROUKT-UHFFFAOYSA-N 1 1 323.397 -1.191 20 0 DAADMO C[C@@H](C[N@H+]1CC[C@@H](CCNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001267563621 775251215 /nfs/dbraw/zinc/25/12/15/775251215.db2.gz CAVZSUMSOFLLNI-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267587896 775252343 /nfs/dbraw/zinc/25/23/43/775252343.db2.gz DIEMYKAJZCJVOI-SNVBAGLBSA-N 1 1 320.415 -1.857 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1 ZINC001087358534 775252445 /nfs/dbraw/zinc/25/24/45/775252445.db2.gz INZAMERMXOCIFG-CYDGBPFRSA-N 1 1 306.370 -1.166 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001267586943 775252617 /nfs/dbraw/zinc/25/26/17/775252617.db2.gz CLIQQWMPJLNEPR-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001267586946 775252630 /nfs/dbraw/zinc/25/26/30/775252630.db2.gz CLIQQWMPJLNEPR-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087358535 775253057 /nfs/dbraw/zinc/25/30/57/775253057.db2.gz INZAMERMXOCIFG-LOWDOPEQSA-N 1 1 306.370 -1.166 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H](C)O)C2 ZINC001111988760 775254945 /nfs/dbraw/zinc/25/49/45/775254945.db2.gz RJDYXZKQVMSYER-GVXVVHGQSA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001267614717 775257137 /nfs/dbraw/zinc/25/71/37/775257137.db2.gz PSQGXPJPBUPQJN-GFCCVEGCSA-N 1 1 316.402 -1.105 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149272547 775258397 /nfs/dbraw/zinc/25/83/97/775258397.db2.gz IOKRRTOQNMOBGU-NSHDSACASA-N 1 1 303.359 -1.068 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001267626635 775258547 /nfs/dbraw/zinc/25/85/47/775258547.db2.gz XJRMKBWVECHAGM-LBPRGKRZSA-N 1 1 312.374 -1.538 20 0 DAADMO COCC(=O)N1CC[C@@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267618975 775258856 /nfs/dbraw/zinc/25/88/56/775258856.db2.gz VMSOYVZNXNKLNW-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO COCC(=O)N1CC[C@H](C[N@@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267618972 775259320 /nfs/dbraw/zinc/25/93/20/775259320.db2.gz VMSOYVZNXNKLNW-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267658864 775262083 /nfs/dbraw/zinc/26/20/83/775262083.db2.gz SYMZHIIEGUMZRU-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267669064 775265512 /nfs/dbraw/zinc/26/55/12/775265512.db2.gz VWNPCUASQOSPPZ-MWLCHTKSSA-N 1 1 312.370 -1.064 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267669062 775265672 /nfs/dbraw/zinc/26/56/72/775265672.db2.gz VWNPCUASQOSPPZ-GXSJLCMTSA-N 1 1 312.370 -1.064 20 0 DAADMO CNC(=O)C1(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC001267694979 775266547 /nfs/dbraw/zinc/26/65/47/775266547.db2.gz WDEHDKIEYGKFSU-NSHDSACASA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C1(C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)CC1 ZINC001267691056 775267502 /nfs/dbraw/zinc/26/75/02/775267502.db2.gz MIMPFBFXBVKZHA-UHFFFAOYSA-N 1 1 308.382 -1.174 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112041262 775268589 /nfs/dbraw/zinc/26/85/89/775268589.db2.gz LQYDKQRGFLRCJN-FTLITQJKSA-N 1 1 324.303 -1.025 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149135882 775271239 /nfs/dbraw/zinc/27/12/39/775271239.db2.gz AEINXJJOPQQFGI-LLVKDONJSA-N 1 1 318.374 -2.129 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001267721376 775271310 /nfs/dbraw/zinc/27/13/10/775271310.db2.gz SYUPBPIKYLSJPN-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149135883 775271627 /nfs/dbraw/zinc/27/16/27/775271627.db2.gz AEINXJJOPQQFGI-NSHDSACASA-N 1 1 318.374 -2.129 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC001267729977 775273628 /nfs/dbraw/zinc/27/36/28/775273628.db2.gz GSIIMIRHCFWPBX-QWRGUYRKSA-N 1 1 311.338 -1.167 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267735871 775274045 /nfs/dbraw/zinc/27/40/45/775274045.db2.gz KWJOTYJGMHZWQN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267735871 775274048 /nfs/dbraw/zinc/27/40/48/775274048.db2.gz KWJOTYJGMHZWQN-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001267754189 775277502 /nfs/dbraw/zinc/27/75/02/775277502.db2.gz COPFMPCJAXYPQX-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO COCCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001267759316 775277680 /nfs/dbraw/zinc/27/76/80/775277680.db2.gz JDUANNFEVKLOJS-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001267759316 775277687 /nfs/dbraw/zinc/27/76/87/775277687.db2.gz JDUANNFEVKLOJS-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267756306 775278018 /nfs/dbraw/zinc/27/80/18/775278018.db2.gz ZVWUIKWAAMQBBQ-AXFHLTTASA-N 1 1 313.354 -1.763 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267767275 775279159 /nfs/dbraw/zinc/27/91/59/775279159.db2.gz DPZXJBCMPQDGCV-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267767275 775279166 /nfs/dbraw/zinc/27/91/66/775279166.db2.gz DPZXJBCMPQDGCV-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO CCN(C(=O)CCN1C(=O)CCC1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001267787995 775280494 /nfs/dbraw/zinc/28/04/94/775280494.db2.gz OHNNFTQPBZLYGI-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CCN(C(=O)CCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267787995 775280501 /nfs/dbraw/zinc/28/05/01/775280501.db2.gz OHNNFTQPBZLYGI-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]n2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098614140 775280827 /nfs/dbraw/zinc/28/08/27/775280827.db2.gz IFKAAFYYSSIKIY-JTQLQIEISA-N 1 1 322.369 -1.015 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098614141 775281202 /nfs/dbraw/zinc/28/12/02/775281202.db2.gz IFKAAFYYSSIKIY-SNVBAGLBSA-N 1 1 322.369 -1.015 20 0 DAADMO COCC(=O)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105119916 775285988 /nfs/dbraw/zinc/28/59/88/775285988.db2.gz HSCZMZWHLIHQBX-UHFFFAOYSA-N 1 1 313.358 -1.594 20 0 DAADMO C[C@](C[NH2+]Cc1nnnn1C1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001267857841 775286638 /nfs/dbraw/zinc/28/66/38/775286638.db2.gz INYDWPXICXJZBG-CYBMUJFWSA-N 1 1 307.358 -1.132 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@@H]2C(N)=O)[nH]1 ZINC001279791496 775286978 /nfs/dbraw/zinc/28/69/78/775286978.db2.gz HGPOTYCDJUUJFD-QWRGUYRKSA-N 1 1 324.385 -1.465 20 0 DAADMO C[C@@](C[NH2+]Cc1nnnn1C1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001267857842 775287075 /nfs/dbraw/zinc/28/70/75/775287075.db2.gz INYDWPXICXJZBG-ZDUSSCGKSA-N 1 1 307.358 -1.132 20 0 DAADMO CC(=O)NCCOCC[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105128092 775288747 /nfs/dbraw/zinc/28/87/47/775288747.db2.gz RRYVKKDPSZTOJX-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)COC)nn2)C1 ZINC001105221749 775292417 /nfs/dbraw/zinc/29/24/17/775292417.db2.gz STLDZVFAGFUVKY-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105225075 775292708 /nfs/dbraw/zinc/29/27/08/775292708.db2.gz IWHDEZZOOOLMJB-SNVBAGLBSA-N 1 1 310.314 -2.148 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105264428 775297562 /nfs/dbraw/zinc/29/75/62/775297562.db2.gz IPOCCFCCWMWQJA-UHFFFAOYSA-N 1 1 319.325 -1.447 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105264908 775297638 /nfs/dbraw/zinc/29/76/38/775297638.db2.gz SOPUTTHCMBONPW-LBPRGKRZSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105275058 775299732 /nfs/dbraw/zinc/29/97/32/775299732.db2.gz AAGFWHDSMUFXBZ-SNVBAGLBSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105266398 775299756 /nfs/dbraw/zinc/29/97/56/775299756.db2.gz VWQOIEIIDBOKSB-UHFFFAOYSA-N 1 1 319.325 -1.447 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)NC1=O ZINC001105296889 775301685 /nfs/dbraw/zinc/30/16/85/775301685.db2.gz AXGUSLFEHLBNOV-NSHDSACASA-N 1 1 323.357 -2.233 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105297135 775302166 /nfs/dbraw/zinc/30/21/66/775302166.db2.gz IBAXMGMMYQGHSW-UHFFFAOYSA-N 1 1 321.341 -1.504 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)CC(N)=O)C2)nn1 ZINC001105300694 775302706 /nfs/dbraw/zinc/30/27/06/775302706.db2.gz APTSHMAJBLMRDC-SNVBAGLBSA-N 1 1 324.385 -1.091 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105297375 775302721 /nfs/dbraw/zinc/30/27/21/775302721.db2.gz MUHPDEJNKFFFGB-LLVKDONJSA-N 1 1 308.342 -2.121 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105301428 775303460 /nfs/dbraw/zinc/30/34/60/775303460.db2.gz PHGABCHCZAWRPE-NEPJUHHUSA-N 1 1 322.369 -1.745 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)CC1 ZINC001267965825 775305441 /nfs/dbraw/zinc/30/54/41/775305441.db2.gz SEAVGEYRDLSYQB-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105315283 775305522 /nfs/dbraw/zinc/30/55/22/775305522.db2.gz FLUVDBYOUOOHEJ-UHFFFAOYSA-N 1 1 319.329 -2.472 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001105303513 775305552 /nfs/dbraw/zinc/30/55/52/775305552.db2.gz OHUBIUZECFPTKZ-UHFFFAOYSA-N 1 1 321.345 -1.765 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001105315572 775306176 /nfs/dbraw/zinc/30/61/76/775306176.db2.gz UVLIIGZNYBCFJC-UHFFFAOYSA-N 1 1 322.369 -1.337 20 0 DAADMO COC[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315607 775308175 /nfs/dbraw/zinc/30/81/75/775308175.db2.gz WHPUEISZWFDRKM-JTQLQIEISA-N 1 1 312.330 -2.756 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105333272 775313161 /nfs/dbraw/zinc/31/31/61/775313161.db2.gz HRVLBBFJWPMHRX-ZDUSSCGKSA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCOCCO)CCO1 ZINC001268019014 775316406 /nfs/dbraw/zinc/31/64/06/775316406.db2.gz OKAKANUWUORUOY-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CN=NC1=O)c1nnnn1C1CC1 ZINC001126026783 775322330 /nfs/dbraw/zinc/32/23/30/775322330.db2.gz HMDHJCTYSIPTPH-QMMMGPOBSA-N 1 1 321.345 -1.228 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1noc2c1COCC2 ZINC001126027664 775323136 /nfs/dbraw/zinc/32/31/36/775323136.db2.gz SZGHJBCOPWPZJH-UHFFFAOYSA-N 1 1 322.325 -1.050 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2CN=NC2=O)n1 ZINC001126026790 775323592 /nfs/dbraw/zinc/32/35/92/775323592.db2.gz HSELQVDGXGXWEG-UHFFFAOYSA-N 1 1 308.346 -1.190 20 0 DAADMO COCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001268023779 775323676 /nfs/dbraw/zinc/32/36/76/775323676.db2.gz QEJRCVIMHBLRHG-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001268023779 775323688 /nfs/dbraw/zinc/32/36/88/775323688.db2.gz QEJRCVIMHBLRHG-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024949 775324629 /nfs/dbraw/zinc/32/46/29/775324629.db2.gz NBWMYCUUEZVWPX-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024949 775324638 /nfs/dbraw/zinc/32/46/38/775324638.db2.gz NBWMYCUUEZVWPX-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO Cn1ncc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)c1N ZINC001126099004 775326723 /nfs/dbraw/zinc/32/67/23/775326723.db2.gz CIZGKANUIMFEFJ-UHFFFAOYSA-N 1 1 305.346 -1.157 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001268028269 775327639 /nfs/dbraw/zinc/32/76/39/775327639.db2.gz BMCNQIYCBSFBQJ-MNOVXSKESA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001268028269 775327651 /nfs/dbraw/zinc/32/76/51/775327651.db2.gz BMCNQIYCBSFBQJ-MNOVXSKESA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114979617 775327715 /nfs/dbraw/zinc/32/77/15/775327715.db2.gz AKDHUAATJFZTIV-SFDCQRBFSA-N 1 1 322.409 -1.356 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136421 775328350 /nfs/dbraw/zinc/32/83/50/775328350.db2.gz HMRWPEYZFPRODT-ZJUUUORDSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136421 775328359 /nfs/dbraw/zinc/32/83/59/775328359.db2.gz HMRWPEYZFPRODT-ZJUUUORDSA-N 1 1 315.374 -1.874 20 0 DAADMO CNC(=O)C1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001105344196 775335701 /nfs/dbraw/zinc/33/57/01/775335701.db2.gz RJMBQQPYXNLUKY-UHFFFAOYSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105342796 775336584 /nfs/dbraw/zinc/33/65/84/775336584.db2.gz WZNJTJWHEFIEKI-SNVBAGLBSA-N 1 1 322.369 -1.588 20 0 DAADMO O=C(CCn1ccnn1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001126270549 775338876 /nfs/dbraw/zinc/33/88/76/775338876.db2.gz RFEUEXUBYDJUHO-UHFFFAOYSA-N 1 1 305.346 -1.104 20 0 DAADMO O=C(c1cccnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105347401 775342437 /nfs/dbraw/zinc/34/24/37/775342437.db2.gz CRURHRJSIZXZCQ-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105349244 775345591 /nfs/dbraw/zinc/34/55/91/775345591.db2.gz GIHGISZWKVQOIE-UHFFFAOYSA-N 1 1 305.342 -1.291 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268102386 775347280 /nfs/dbraw/zinc/34/72/80/775347280.db2.gz TUNGZLKMSWJCDT-VHSXEESVSA-N 1 1 322.369 -1.196 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136682 775348854 /nfs/dbraw/zinc/34/88/54/775348854.db2.gz KFEHSAJUMDGUDF-QWRGUYRKSA-N 1 1 318.374 -2.131 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136760 775349694 /nfs/dbraw/zinc/34/96/94/775349694.db2.gz LACPMTOHORTIJC-WDEREUQCSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136756 775350581 /nfs/dbraw/zinc/35/05/81/775350581.db2.gz LACPMTOHORTIJC-MNOVXSKESA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268252643 775355610 /nfs/dbraw/zinc/35/56/10/775355610.db2.gz CXRUZYGYLVDLSC-NSHDSACASA-N 1 1 315.370 -1.563 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268259875 775355633 /nfs/dbraw/zinc/35/56/33/775355633.db2.gz PSSCJILVZWZJAA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268259875 775355640 /nfs/dbraw/zinc/35/56/40/775355640.db2.gz PSSCJILVZWZJAA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cc[n+]([O-])cc2)nn1 ZINC001268294350 775356657 /nfs/dbraw/zinc/35/66/57/775356657.db2.gz GRAWEMFBOQOZTM-LBPRGKRZSA-N 1 1 306.326 -1.671 20 0 DAADMO Cn1cc(Cl)c(C[NH2+]C[C@H](O)CNC(=O)CC(N)=O)n1 ZINC001268301747 775358840 /nfs/dbraw/zinc/35/88/40/775358840.db2.gz YHYVHTZSGRGLEC-ZETCQYMHSA-N 1 1 303.750 -1.484 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001268313449 775365728 /nfs/dbraw/zinc/36/57/28/775365728.db2.gz DQQJLZBSMASKOG-ZETCQYMHSA-N 1 1 320.300 -2.237 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@H]1CCCNC1=O ZINC001268311904 775365766 /nfs/dbraw/zinc/36/57/66/775365766.db2.gz QTQTZJKMSCZDTA-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC2=O)o1 ZINC001268316184 775366216 /nfs/dbraw/zinc/36/62/16/775366216.db2.gz IHZUIBGDNFDMHX-GXSJLCMTSA-N 1 1 310.354 -1.060 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316368 775367713 /nfs/dbraw/zinc/36/77/13/775367713.db2.gz KSTVBOLEZJHZJK-GHMZBOCLSA-N 1 1 307.416 -1.808 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316368 775367722 /nfs/dbraw/zinc/36/77/22/775367722.db2.gz KSTVBOLEZJHZJK-GHMZBOCLSA-N 1 1 307.416 -1.808 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)[nH]1 ZINC001268319727 775369373 /nfs/dbraw/zinc/36/93/73/775369373.db2.gz LJMRTRZTGAJJME-UWVGGRQHSA-N 1 1 310.358 -1.842 20 0 DAADMO C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CCNC1=O ZINC001268322343 775370138 /nfs/dbraw/zinc/37/01/38/775370138.db2.gz JDJMJOOOUXYIAO-UFBFGSQYSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001268325999 775370604 /nfs/dbraw/zinc/37/06/04/775370604.db2.gz VLERORJZLCOQMK-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)no1 ZINC001268335986 775376675 /nfs/dbraw/zinc/37/66/75/775376675.db2.gz BHWJIAPCQQLNQP-ONGXEEELSA-N 1 1 324.337 -1.397 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)no1 ZINC001268335979 775376772 /nfs/dbraw/zinc/37/67/72/775376772.db2.gz BHWJIAPCQQLNQP-GXSJLCMTSA-N 1 1 324.337 -1.397 20 0 DAADMO Cn1cncc1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105360795 775379806 /nfs/dbraw/zinc/37/98/06/775379806.db2.gz IXTBIKWMJFDZBI-UHFFFAOYSA-N 1 1 319.369 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001268401888 775382329 /nfs/dbraw/zinc/38/23/29/775382329.db2.gz CWPHQTOVMXHGDD-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC001268401887 775382684 /nfs/dbraw/zinc/38/26/84/775382684.db2.gz CWPHQTOVMXHGDD-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)c1cc(=O)n(C)cn1 ZINC001268459052 775385230 /nfs/dbraw/zinc/38/52/30/775385230.db2.gz MORADQKZAXQSOT-UHFFFAOYSA-N 1 1 320.357 -1.444 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212178019 775387425 /nfs/dbraw/zinc/38/74/25/775387425.db2.gz FPKKICJFIXDDBZ-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@H](OC)C1 ZINC001212178019 775387435 /nfs/dbraw/zinc/38/74/35/775387435.db2.gz FPKKICJFIXDDBZ-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138038 775390203 /nfs/dbraw/zinc/39/02/03/775390203.db2.gz STPPWSSJAOZICR-IUCAKERBSA-N 1 1 301.347 -2.264 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138038 775390209 /nfs/dbraw/zinc/39/02/09/775390209.db2.gz STPPWSSJAOZICR-IUCAKERBSA-N 1 1 301.347 -2.264 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212178204 775392149 /nfs/dbraw/zinc/39/21/49/775392149.db2.gz MTCIUXCWLKKLTD-GMTAPVOTSA-N 1 1 314.386 -1.585 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212178204 775392159 /nfs/dbraw/zinc/39/21/59/775392159.db2.gz MTCIUXCWLKKLTD-GMTAPVOTSA-N 1 1 314.386 -1.585 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212178152 775392677 /nfs/dbraw/zinc/39/26/77/775392677.db2.gz KINYGXRUBZGYDJ-GMTAPVOTSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212178152 775392689 /nfs/dbraw/zinc/39/26/89/775392689.db2.gz KINYGXRUBZGYDJ-GMTAPVOTSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212178299 775393789 /nfs/dbraw/zinc/39/37/89/775393789.db2.gz QPKGBLRPKHHWPQ-GMTAPVOTSA-N 1 1 303.359 -2.055 20 0 DAADMO Cn1ccc(CC(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)n1 ZINC001268541452 775396906 /nfs/dbraw/zinc/39/69/06/775396906.db2.gz KAJIZLHOBOHPHO-ARJAWSKDSA-N 1 1 319.369 -1.153 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CNC(N)=O ZINC001211827766 775401641 /nfs/dbraw/zinc/40/16/41/775401641.db2.gz KBNXVOWBWZDUHX-GHMZBOCLSA-N 1 1 310.358 -1.633 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211823402 775402418 /nfs/dbraw/zinc/40/24/18/775402418.db2.gz ZBRQDBAOQFVDMK-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001211824814 775402930 /nfs/dbraw/zinc/40/29/30/775402930.db2.gz CAAJYDHADPTASF-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001211824814 775402933 /nfs/dbraw/zinc/40/29/33/775402933.db2.gz CAAJYDHADPTASF-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1)OC ZINC001211834075 775403792 /nfs/dbraw/zinc/40/37/92/775403792.db2.gz ZRRCUSUQNOBYEI-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO CN1CC(C(=O)NCC=CC[NH2+][C@H]2CCC(=O)NC2=O)=NC1=O ZINC001268588811 775404267 /nfs/dbraw/zinc/40/42/67/775404267.db2.gz VWYZNNQPRSMUAY-XADBCAIWSA-N 1 1 321.337 -1.194 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833891 775404846 /nfs/dbraw/zinc/40/48/46/775404846.db2.gz RKZBAOCWQPPACT-IJLUTSLNSA-N 1 1 314.386 -1.103 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001105372458 775406837 /nfs/dbraw/zinc/40/68/37/775406837.db2.gz HZQKLPOALIKKDI-SNVBAGLBSA-N 1 1 321.385 -1.812 20 0 DAADMO O=C(Cc1nnc[nH]1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268613768 775408490 /nfs/dbraw/zinc/40/84/90/775408490.db2.gz ICEGXVZJCFSNII-GPYPMJJRSA-N 1 1 306.326 -1.586 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C/CNC(=O)CN1C(=O)CCC1=O ZINC001268622962 775408628 /nfs/dbraw/zinc/40/86/28/775408628.db2.gz HSFIBEMLZXDIFE-NSCUHMNNSA-N 1 1 320.353 -1.274 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CN2C(=O)CNC2=O)n1 ZINC001268671853 775414343 /nfs/dbraw/zinc/41/43/43/775414343.db2.gz KDZJXPKWEDINHT-SECBINFHSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001268701062 775415871 /nfs/dbraw/zinc/41/58/71/775415871.db2.gz WJKLGLARVZDAJW-YUMQZZPRSA-N 1 1 309.326 -1.361 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001268688927 775416120 /nfs/dbraw/zinc/41/61/20/775416120.db2.gz LMFWUXCOUWYRHM-UWVGGRQHSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001268720957 775418078 /nfs/dbraw/zinc/41/80/78/775418078.db2.gz PBXSRAZPFJYFAH-IUCAKERBSA-N 1 1 309.330 -2.085 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268718642 775418409 /nfs/dbraw/zinc/41/84/09/775418409.db2.gz LYILJPNEYAVUPC-VHSXEESVSA-N 1 1 322.369 -1.055 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268745355 775419512 /nfs/dbraw/zinc/41/95/12/775419512.db2.gz HPTJSDUXZHOJLS-ZJUUUORDSA-N 1 1 302.375 -1.551 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(N)=O ZINC001268745355 775419521 /nfs/dbraw/zinc/41/95/21/775419521.db2.gz HPTJSDUXZHOJLS-ZJUUUORDSA-N 1 1 302.375 -1.551 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268745353 775419678 /nfs/dbraw/zinc/41/96/78/775419678.db2.gz HPTJSDUXZHOJLS-VHSXEESVSA-N 1 1 302.375 -1.551 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268745353 775419686 /nfs/dbraw/zinc/41/96/86/775419686.db2.gz HPTJSDUXZHOJLS-VHSXEESVSA-N 1 1 302.375 -1.551 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733375 775420260 /nfs/dbraw/zinc/42/02/60/775420260.db2.gz HJRWUCQGODLRPP-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733375 775420264 /nfs/dbraw/zinc/42/02/64/775420264.db2.gz HJRWUCQGODLRPP-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268737547 775420641 /nfs/dbraw/zinc/42/06/41/775420641.db2.gz XJNWIYVBTCPMPI-QMMMGPOBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268737547 775420644 /nfs/dbraw/zinc/42/06/44/775420644.db2.gz XJNWIYVBTCPMPI-QMMMGPOBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001268726794 775420699 /nfs/dbraw/zinc/42/06/99/775420699.db2.gz SECQMFAOYYXWSZ-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001268726794 775420705 /nfs/dbraw/zinc/42/07/05/775420705.db2.gz SECQMFAOYYXWSZ-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001149181890 775420812 /nfs/dbraw/zinc/42/08/12/775420812.db2.gz KDYKNHKRLRKRQS-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001149181890 775420815 /nfs/dbraw/zinc/42/08/15/775420815.db2.gz KDYKNHKRLRKRQS-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268751555 775421912 /nfs/dbraw/zinc/42/19/12/775421912.db2.gz UCIOSONIIYOYKR-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268751555 775421918 /nfs/dbraw/zinc/42/19/18/775421918.db2.gz UCIOSONIIYOYKR-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268811746 775423573 /nfs/dbraw/zinc/42/35/73/775423573.db2.gz JULVZBJSJYCJBY-SECBINFHSA-N 1 1 308.342 -1.030 20 0 DAADMO COCCOCC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001268814277 775424545 /nfs/dbraw/zinc/42/45/45/775424545.db2.gz WWESRCKKMFVQFG-LLVKDONJSA-N 1 1 313.354 -1.497 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001268858806 775427127 /nfs/dbraw/zinc/42/71/27/775427127.db2.gz RBLBHIRIMRXDSS-JTQLQIEISA-N 1 1 324.381 -1.305 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001268858807 775427253 /nfs/dbraw/zinc/42/72/53/775427253.db2.gz RBLBHIRIMRXDSS-SNVBAGLBSA-N 1 1 324.381 -1.305 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001268905460 775427945 /nfs/dbraw/zinc/42/79/45/775427945.db2.gz BKWAPURVNOTWAL-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001268922687 775430125 /nfs/dbraw/zinc/43/01/25/775430125.db2.gz SLUVQFIMHGSFAS-ONGXEEELSA-N 1 1 324.381 -1.436 20 0 DAADMO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001268911506 775430246 /nfs/dbraw/zinc/43/02/46/775430246.db2.gz KDBVXARMOOMNDY-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001268947357 775431893 /nfs/dbraw/zinc/43/18/93/775431893.db2.gz LZZDIHKNGCTWTO-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001268947357 775431898 /nfs/dbraw/zinc/43/18/98/775431898.db2.gz LZZDIHKNGCTWTO-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](O)COC)CC1 ZINC001268974517 775433147 /nfs/dbraw/zinc/43/31/47/775433147.db2.gz URYPBTUHIAYLCY-SRVKXCTJSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)NCC1CC1 ZINC001268973852 775433158 /nfs/dbraw/zinc/43/31/58/775433158.db2.gz GEIAUMJLFXGWBO-RWMBFGLXSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)NCC1CC1 ZINC001268973852 775433164 /nfs/dbraw/zinc/43/31/64/775433164.db2.gz GEIAUMJLFXGWBO-RWMBFGLXSA-N 1 1 311.382 -1.195 20 0 DAADMO CN1CC[NH+](CCC(=O)N2Cc3n[nH]c(C(N)=O)c3C2)CC1 ZINC001269030752 775436288 /nfs/dbraw/zinc/43/62/88/775436288.db2.gz WZOZQGSVHYVKFA-UHFFFAOYSA-N 1 1 306.370 -1.012 20 0 DAADMO NC(=O)c1nnc2n1CCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001269036554 775436737 /nfs/dbraw/zinc/43/67/37/775436737.db2.gz OXGYAMUQBDERRY-UHFFFAOYSA-N 1 1 308.342 -1.559 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1cccn2nnnc12 ZINC001269030070 775436827 /nfs/dbraw/zinc/43/68/27/775436827.db2.gz ZYJLIQANTJIHIP-NSHDSACASA-N 1 1 320.353 -1.063 20 0 DAADMO NC(=O)CC(=O)N[C@H](C[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001269056945 775439505 /nfs/dbraw/zinc/43/95/05/775439505.db2.gz QXKAARSISAHGDM-SNVBAGLBSA-N 1 1 307.358 -1.132 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001269090135 775441372 /nfs/dbraw/zinc/44/13/72/775441372.db2.gz XJHZGQNVRBQHSC-SRVKXCTJSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001269090135 775441375 /nfs/dbraw/zinc/44/13/75/775441375.db2.gz XJHZGQNVRBQHSC-SRVKXCTJSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269089486 775441783 /nfs/dbraw/zinc/44/17/83/775441783.db2.gz QCYQMAZYYGJLQW-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269089486 775441790 /nfs/dbraw/zinc/44/17/90/775441790.db2.gz QCYQMAZYYGJLQW-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H](NC(=O)c1ncn[nH]1)C1CC1 ZINC001269130309 775442973 /nfs/dbraw/zinc/44/29/73/775442973.db2.gz SOGXLSFQMHBVPY-VIFPVBQESA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H](NC(=O)c1nc[nH]n1)C1CC1 ZINC001269130309 775442977 /nfs/dbraw/zinc/44/29/77/775442977.db2.gz SOGXLSFQMHBVPY-VIFPVBQESA-N 1 1 301.372 -1.053 20 0 DAADMO O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ncn[nH]1 ZINC001269131080 775443195 /nfs/dbraw/zinc/44/31/95/775443195.db2.gz ZRYLUHSOYPHNPQ-SECBINFHSA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1nc[nH]n1 ZINC001269131080 775443202 /nfs/dbraw/zinc/44/32/02/775443202.db2.gz ZRYLUHSOYPHNPQ-SECBINFHSA-N 1 1 321.341 -1.546 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001269159449 775445635 /nfs/dbraw/zinc/44/56/35/775445635.db2.gz FGIUCCBFMMZONG-VXGBXAGGSA-N 1 1 321.381 -1.300 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001269193471 775448503 /nfs/dbraw/zinc/44/85/03/775448503.db2.gz LOBXZIIMJBWOCQ-LLVKDONJSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001269193471 775448511 /nfs/dbraw/zinc/44/85/11/775448511.db2.gz LOBXZIIMJBWOCQ-LLVKDONJSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001269193321 775448681 /nfs/dbraw/zinc/44/86/81/775448681.db2.gz KKNJTFWHMXWAIT-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001269226843 775449365 /nfs/dbraw/zinc/44/93/65/775449365.db2.gz CQVYWWGFPHXSAH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001269226843 775449369 /nfs/dbraw/zinc/44/93/69/775449369.db2.gz CQVYWWGFPHXSAH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001269273333 775454916 /nfs/dbraw/zinc/45/49/16/775454916.db2.gz VRJSYDPSLSJBLK-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001269273333 775454927 /nfs/dbraw/zinc/45/49/27/775454927.db2.gz VRJSYDPSLSJBLK-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001269273331 775455614 /nfs/dbraw/zinc/45/56/14/775455614.db2.gz VRJSYDPSLSJBLK-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001269273331 775455616 /nfs/dbraw/zinc/45/56/16/775455616.db2.gz VRJSYDPSLSJBLK-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)C1 ZINC001269312268 775456559 /nfs/dbraw/zinc/45/65/59/775456559.db2.gz CSNIOXYXWDPOCW-KXUCPTDWSA-N 1 1 302.327 -3.205 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001269311978 775457029 /nfs/dbraw/zinc/45/70/29/775457029.db2.gz BDTYUHFCFDXOFQ-AJBSGBCOSA-N 1 1 302.327 -3.065 20 0 DAADMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301879 775457082 /nfs/dbraw/zinc/45/70/82/775457082.db2.gz IPOOVEYGTINDCS-GATDUIATSA-N 1 1 302.327 -2.909 20 0 DAADMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301879 775457089 /nfs/dbraw/zinc/45/70/89/775457089.db2.gz IPOOVEYGTINDCS-GATDUIATSA-N 1 1 302.327 -2.909 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269301606 775457253 /nfs/dbraw/zinc/45/72/53/775457253.db2.gz CGFWRKFGAXSUMQ-XWRRPNNZSA-N 1 1 302.327 -3.051 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001269321085 775460609 /nfs/dbraw/zinc/46/06/09/775460609.db2.gz OMFUPMOYQZZQFV-WDEREUQCSA-N 1 1 310.354 -1.502 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269351761 775463063 /nfs/dbraw/zinc/46/30/63/775463063.db2.gz RQSFVMVYRRBXGU-UHFFFAOYSA-N 1 1 322.369 -1.272 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001269417656 775464874 /nfs/dbraw/zinc/46/48/74/775464874.db2.gz NYONYLUOEAVQSR-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001269428778 775464979 /nfs/dbraw/zinc/46/49/79/775464979.db2.gz ROKSRLWOQLQDAN-MRXNPFEDSA-N 1 1 324.425 -1.059 20 0 DAADMO CC[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nonc1C ZINC001269503387 775468641 /nfs/dbraw/zinc/46/86/41/775468641.db2.gz VCTOHJRCCKCHOQ-SECBINFHSA-N 1 1 324.341 -1.086 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138625 775472931 /nfs/dbraw/zinc/47/29/31/775472931.db2.gz VZBWGTFENNLXFW-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138625 775472938 /nfs/dbraw/zinc/47/29/38/775472938.db2.gz VZBWGTFENNLXFW-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO NC(=O)c1noc2c1CN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269618421 775472985 /nfs/dbraw/zinc/47/29/85/775472985.db2.gz NVSOBYFWPXJRLO-UHFFFAOYSA-N 1 1 312.326 -2.055 20 0 DAADMO NC(=O)[C@@H]1CCC[C@]12CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618112 775473019 /nfs/dbraw/zinc/47/30/19/775473019.db2.gz GPRWSZRHMSNFES-SWLSCSKDSA-N 1 1 313.398 -1.223 20 0 DAADMO NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618113 775473137 /nfs/dbraw/zinc/47/31/37/775473137.db2.gz GPRWSZRHMSNFES-WFASDCNBSA-N 1 1 313.398 -1.223 20 0 DAADMO NC(=O)[C@@H]1COCCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618132 775473184 /nfs/dbraw/zinc/47/31/84/775473184.db2.gz HKQORYOCFARELO-NSHDSACASA-N 1 1 315.370 -2.377 20 0 DAADMO NC(=O)[C@@H]1CCSC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618757 775473190 /nfs/dbraw/zinc/47/31/90/775473190.db2.gz URMCSENTIQGZST-JTQLQIEISA-N 1 1 317.411 -1.908 20 0 DAADMO NC(=O)c1[nH]nc2c1CN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269618385 775473199 /nfs/dbraw/zinc/47/31/99/775473199.db2.gz MXIWKNPFPACNOD-UHFFFAOYSA-N 1 1 311.342 -2.320 20 0 DAADMO NC(=O)c1ccc2c(n1)CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618472 775473514 /nfs/dbraw/zinc/47/35/14/775473514.db2.gz PMKZCPBKTAZODO-UHFFFAOYSA-N 1 1 322.365 -1.648 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1C[C@H]2C[C@@]2(C(=O)N2CC=CC2)C1 ZINC001269618153 775473613 /nfs/dbraw/zinc/47/36/13/775473613.db2.gz HYSWQDCEHAVDMZ-CZUORRHYSA-N 1 1 323.393 -1.480 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001269887318 775478910 /nfs/dbraw/zinc/47/89/10/775478910.db2.gz XYNOEYFAXWSJGE-JTQLQIEISA-N 1 1 314.342 -2.312 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272272863 775481217 /nfs/dbraw/zinc/48/12/17/775481217.db2.gz CGTQCZUZSUNXQR-RNJOBUHISA-N 1 1 310.398 -1.575 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149139409 775496113 /nfs/dbraw/zinc/49/61/13/775496113.db2.gz ZRAQGYIASFKHQR-VHSXEESVSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149139409 775496118 /nfs/dbraw/zinc/49/61/18/775496118.db2.gz ZRAQGYIASFKHQR-VHSXEESVSA-N 1 1 313.358 -2.250 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)CC1 ZINC001270543329 775496230 /nfs/dbraw/zinc/49/62/30/775496230.db2.gz RNUJBFSTTLSRMT-VIFPVBQESA-N 1 1 309.374 -1.422 20 0 DAADMO CCOCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619343 775498609 /nfs/dbraw/zinc/49/86/09/775498609.db2.gz CYJYNXXZMCWJFQ-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619343 775498619 /nfs/dbraw/zinc/49/86/19/775498619.db2.gz CYJYNXXZMCWJFQ-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001270623481 775499018 /nfs/dbraw/zinc/49/90/18/775499018.db2.gz HPOUUDZSUVQSKF-LBPRGKRZSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001270623481 775499025 /nfs/dbraw/zinc/49/90/25/775499025.db2.gz HPOUUDZSUVQSKF-LBPRGKRZSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001270623480 775499476 /nfs/dbraw/zinc/49/94/76/775499476.db2.gz HPOUUDZSUVQSKF-GFCCVEGCSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001270623480 775499477 /nfs/dbraw/zinc/49/94/77/775499477.db2.gz HPOUUDZSUVQSKF-GFCCVEGCSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655266 775501147 /nfs/dbraw/zinc/50/11/47/775501147.db2.gz BXCNASNLULZDBU-YMTOWFKASA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655266 775501148 /nfs/dbraw/zinc/50/11/48/775501148.db2.gz BXCNASNLULZDBU-YMTOWFKASA-N 1 1 310.354 -1.410 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1=O ZINC001270648022 775501227 /nfs/dbraw/zinc/50/12/27/775501227.db2.gz GJJXDUZJSMTQHI-CQSZACIVSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655263 775501297 /nfs/dbraw/zinc/50/12/97/775501297.db2.gz BXCNASNLULZDBU-LKFCYVNXSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001270655263 775501300 /nfs/dbraw/zinc/50/13/00/775501300.db2.gz BXCNASNLULZDBU-LKFCYVNXSA-N 1 1 310.354 -1.410 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001270695662 775504282 /nfs/dbraw/zinc/50/42/82/775504282.db2.gz NESVLTXBRVNLIP-MELADBBJSA-N 1 1 321.381 -1.061 20 0 DAADMO COCCC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001270692209 775504340 /nfs/dbraw/zinc/50/43/40/775504340.db2.gz PDDMPNRSXLXWKU-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCC[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001270692209 775504345 /nfs/dbraw/zinc/50/43/45/775504345.db2.gz PDDMPNRSXLXWKU-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702094 775505612 /nfs/dbraw/zinc/50/56/12/775505612.db2.gz GRKUBDFJTURMGD-UHFFFAOYSA-N 1 1 323.441 -1.534 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001270759082 775507541 /nfs/dbraw/zinc/50/75/41/775507541.db2.gz KICYSHAHFOALSM-OKILXGFUSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001270759082 775507550 /nfs/dbraw/zinc/50/75/50/775507550.db2.gz KICYSHAHFOALSM-OKILXGFUSA-N 1 1 310.398 -1.308 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087496549 775513443 /nfs/dbraw/zinc/51/34/43/775513443.db2.gz DELKASLXTYBLFX-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698035 775514420 /nfs/dbraw/zinc/51/44/20/775514420.db2.gz OROZSHYQILELFD-VXGBXAGGSA-N 1 1 322.369 -1.731 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270979833 775522387 /nfs/dbraw/zinc/52/23/87/775522387.db2.gz KISLVYVFNNXJPH-GFCCVEGCSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270979833 775522395 /nfs/dbraw/zinc/52/23/95/775522395.db2.gz KISLVYVFNNXJPH-GFCCVEGCSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CCC2=O)CCC[N@H+](CC(N)=O)C1 ZINC001271008506 775523421 /nfs/dbraw/zinc/52/34/21/775523421.db2.gz ZAJNLKCDLTYJJU-HNNXBMFYSA-N 1 1 324.381 -1.161 20 0 DAADMO C[C@@]1(CNC(=O)CN2C(=O)CCC2=O)CCC[N@@H+](CC(N)=O)C1 ZINC001271008506 775523433 /nfs/dbraw/zinc/52/34/33/775523433.db2.gz ZAJNLKCDLTYJJU-HNNXBMFYSA-N 1 1 324.381 -1.161 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CCC2=O)CCC[N@H+](CC(N)=O)C1 ZINC001271008507 775523686 /nfs/dbraw/zinc/52/36/86/775523686.db2.gz ZAJNLKCDLTYJJU-OAHLLOKOSA-N 1 1 324.381 -1.161 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CCC2=O)CCC[N@@H+](CC(N)=O)C1 ZINC001271008507 775523693 /nfs/dbraw/zinc/52/36/93/775523693.db2.gz ZAJNLKCDLTYJJU-OAHLLOKOSA-N 1 1 324.381 -1.161 20 0 DAADMO CC[N@@H+](C)CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@@H](C1)O2 ZINC001271080868 775527938 /nfs/dbraw/zinc/52/79/38/775527938.db2.gz CHFQWTCZBBJQIH-BETUJISGSA-N 1 1 312.414 -1.062 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001271098638 775528698 /nfs/dbraw/zinc/52/86/98/775528698.db2.gz MKEHRFLKDKSGFJ-XEZPLFJOSA-N 1 1 323.393 -1.099 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001271109943 775528865 /nfs/dbraw/zinc/52/88/65/775528865.db2.gz PIHUQSLGXHLRIG-SMDDNHRTSA-N 1 1 317.386 -1.927 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001271109941 775530006 /nfs/dbraw/zinc/53/00/06/775530006.db2.gz PIHUQSLGXHLRIG-RISCZKNCSA-N 1 1 317.386 -1.927 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cnnn1C ZINC001087571923 775532040 /nfs/dbraw/zinc/53/20/40/775532040.db2.gz SQBAOLVIWKNGKS-NWDGAFQWSA-N 1 1 319.373 -1.029 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cnnn1C ZINC001087571923 775532049 /nfs/dbraw/zinc/53/20/49/775532049.db2.gz SQBAOLVIWKNGKS-NWDGAFQWSA-N 1 1 319.373 -1.029 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)NC ZINC001087686223 775533295 /nfs/dbraw/zinc/53/32/95/775533295.db2.gz UONDTAQNFIAWRD-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)NC ZINC001087686223 775533304 /nfs/dbraw/zinc/53/33/04/775533304.db2.gz UONDTAQNFIAWRD-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC001087632323 775533949 /nfs/dbraw/zinc/53/39/49/775533949.db2.gz WKEUSIKRNJPIOZ-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@H](C)O ZINC001087631623 775534004 /nfs/dbraw/zinc/53/40/04/775534004.db2.gz LWNWETHMPSOULF-SDDRHHMPSA-N 1 1 311.386 -1.068 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC001087592044 775534319 /nfs/dbraw/zinc/53/43/19/775534319.db2.gz YZGKGTIJSMILBR-GARJFASQSA-N 1 1 324.381 -1.022 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC001087592044 775534323 /nfs/dbraw/zinc/53/43/23/775534323.db2.gz YZGKGTIJSMILBR-GARJFASQSA-N 1 1 324.381 -1.022 20 0 DAADMO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001271133367 775536431 /nfs/dbraw/zinc/53/64/31/775536431.db2.gz ZKMDEBWHNJTWQI-CQSZACIVSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1C[C@@H](C)O ZINC001087764593 775537472 /nfs/dbraw/zinc/53/74/72/775537472.db2.gz XNWUBTUBRAFKLV-OUAUKWLOSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@@H]1COC(=O)N1 ZINC001126547879 775538411 /nfs/dbraw/zinc/53/84/11/775538411.db2.gz BQCMFFIEFIJIKD-ZETCQYMHSA-N 1 1 318.284 -1.143 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@@H]1COC(=O)N1 ZINC001126548257 775540056 /nfs/dbraw/zinc/54/00/56/775540056.db2.gz HLNZFUUIEKSATF-VIFPVBQESA-N 1 1 308.342 -1.071 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCCCOC)C1 ZINC001271153850 775541559 /nfs/dbraw/zinc/54/15/59/775541559.db2.gz XBZUXFHBWBXARK-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCCOC)C1 ZINC001271154250 775541851 /nfs/dbraw/zinc/54/18/51/775541851.db2.gz ZWJMPUFRPFWZIF-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158538 775542495 /nfs/dbraw/zinc/54/24/95/775542495.db2.gz BYEGSPBUSDNLBB-AWEZNQCLSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158538 775542505 /nfs/dbraw/zinc/54/25/05/775542505.db2.gz BYEGSPBUSDNLBB-AWEZNQCLSA-N 1 1 324.385 -1.620 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1CC(=O)NC ZINC001087850689 775542965 /nfs/dbraw/zinc/54/29/65/775542965.db2.gz QYUNWTUAKXYBHI-GARJFASQSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@H+]1CC(=O)NC ZINC001087850689 775542972 /nfs/dbraw/zinc/54/29/72/775542972.db2.gz QYUNWTUAKXYBHI-GARJFASQSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001271158895 775543922 /nfs/dbraw/zinc/54/39/22/775543922.db2.gz FYEKGBIOTGXRHR-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001271158895 775543927 /nfs/dbraw/zinc/54/39/27/775543927.db2.gz FYEKGBIOTGXRHR-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878729 775545083 /nfs/dbraw/zinc/54/50/83/775545083.db2.gz LJJUPNHZPVVNPF-MNOVXSKESA-N 1 1 307.358 -1.801 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087879607 775545204 /nfs/dbraw/zinc/54/52/04/775545204.db2.gz WMVBGALJLSZNJJ-TUAOUCFPSA-N 1 1 321.385 -1.412 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915433 775546183 /nfs/dbraw/zinc/54/61/83/775546183.db2.gz LSXAIDRJAYFITH-MNOVXSKESA-N 1 1 317.411 -1.313 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915433 775546188 /nfs/dbraw/zinc/54/61/88/775546188.db2.gz LSXAIDRJAYFITH-MNOVXSKESA-N 1 1 317.411 -1.313 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)[nH]1 ZINC001087960403 775546277 /nfs/dbraw/zinc/54/62/77/775546277.db2.gz RZXRKUKUHVPLNX-MNOVXSKESA-N 1 1 306.370 -1.079 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915710 775546378 /nfs/dbraw/zinc/54/63/78/775546378.db2.gz YNKXKJHVKNPHDJ-MNOVXSKESA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915710 775546380 /nfs/dbraw/zinc/54/63/80/775546380.db2.gz YNKXKJHVKNPHDJ-MNOVXSKESA-N 1 1 306.370 -1.029 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]2C1 ZINC001087952262 775546407 /nfs/dbraw/zinc/54/64/07/775546407.db2.gz BSSSLCKFWKSJCR-WOPDTQHZSA-N 1 1 324.381 -1.037 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]2C1 ZINC001087932887 775547168 /nfs/dbraw/zinc/54/71/68/775547168.db2.gz QTAUFHSNNZDZAW-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710684 775547287 /nfs/dbraw/zinc/54/72/87/775547287.db2.gz JJCKXPXRWTXYAK-ONGXEEELSA-N 1 1 310.358 -1.339 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)nn1 ZINC001087915211 775547792 /nfs/dbraw/zinc/54/77/92/775547792.db2.gz BESNGKQQYPYOLW-MNOVXSKESA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)nn1 ZINC001087915211 775547799 /nfs/dbraw/zinc/54/77/99/775547799.db2.gz BESNGKQQYPYOLW-MNOVXSKESA-N 1 1 306.370 -1.029 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087915714 775548177 /nfs/dbraw/zinc/54/81/77/775548177.db2.gz YPTRXXASDIJUEE-NEPJUHHUSA-N 1 1 306.370 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]2C1 ZINC001087932886 775548186 /nfs/dbraw/zinc/54/81/86/775548186.db2.gz QTAUFHSNNZDZAW-TUAOUCFPSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087968320 775549170 /nfs/dbraw/zinc/54/91/70/775549170.db2.gz KNKOCBUMZMXLEI-TUAOUCFPSA-N 1 1 321.385 -1.412 20 0 DAADMO OC[C@H]1C[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@H](O)[C@@H]1O ZINC001168041375 775549219 /nfs/dbraw/zinc/54/92/19/775549219.db2.gz RTGJMTCRFUSHAT-WFFHOREQSA-N 1 1 310.354 -1.172 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)cc1=O ZINC001087997891 775550286 /nfs/dbraw/zinc/55/02/86/775550286.db2.gz FKUIHTPYXCIQEB-MNOVXSKESA-N 1 1 319.365 -1.341 20 0 DAADMO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271174571 775550682 /nfs/dbraw/zinc/55/06/82/775550682.db2.gz DHSKVJGYDOUMHV-ZJUUUORDSA-N 1 1 319.369 -1.051 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271175800 775550954 /nfs/dbraw/zinc/55/09/54/775550954.db2.gz MTYJGYVOHXHEQI-VXGBXAGGSA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271177148 775551336 /nfs/dbraw/zinc/55/13/36/775551336.db2.gz UPUOKGVSPLGHDB-HWWQOWPSSA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271174569 775551392 /nfs/dbraw/zinc/55/13/92/775551392.db2.gz DHSKVJGYDOUMHV-UWVGGRQHSA-N 1 1 319.369 -1.051 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271175797 775551927 /nfs/dbraw/zinc/55/19/27/775551927.db2.gz MTYJGYVOHXHEQI-NEPJUHHUSA-N 1 1 322.409 -1.009 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183773 775552844 /nfs/dbraw/zinc/55/28/44/775552844.db2.gz DWHGNOLQOORQPC-MFKMUULPSA-N 1 1 315.370 -2.188 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]2C1 ZINC001088026021 775553389 /nfs/dbraw/zinc/55/33/89/775553389.db2.gz OFVZVRGYEAHPOY-NEPJUHHUSA-N 1 1 323.397 -1.333 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271177424 775553806 /nfs/dbraw/zinc/55/38/06/775553806.db2.gz WDDMVBXRGYFRTH-GPCCPHFNSA-N 1 1 319.369 -1.051 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271183354 775553990 /nfs/dbraw/zinc/55/39/90/775553990.db2.gz BTPDGWNOTGVIGU-IINYFYTJSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271183354 775553997 /nfs/dbraw/zinc/55/39/97/775553997.db2.gz BTPDGWNOTGVIGU-IINYFYTJSA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CNC(=O)C1 ZINC001088050893 775554099 /nfs/dbraw/zinc/55/40/99/775554099.db2.gz ZJTMCOINTHRCJV-ZETOZRRWSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CNC(=O)C1 ZINC001088050892 775554167 /nfs/dbraw/zinc/55/41/67/775554167.db2.gz ZJTMCOINTHRCJV-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273421 775554690 /nfs/dbraw/zinc/55/46/90/775554690.db2.gz KRVWAZOIPBAWIX-RYUDHWBXSA-N 1 1 310.398 -1.716 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271185388 775555290 /nfs/dbraw/zinc/55/52/90/775555290.db2.gz XVRCYMDNBOUSMR-ZANVPECISA-N 1 1 312.370 -1.931 20 0 DAADMO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271184848 775555530 /nfs/dbraw/zinc/55/55/30/775555530.db2.gz OLOINFXWJQAAKK-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271185386 775556170 /nfs/dbraw/zinc/55/61/70/775556170.db2.gz XVRCYMDNBOUSMR-RNCFNFMXSA-N 1 1 312.370 -1.931 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)n1 ZINC001271184993 775556185 /nfs/dbraw/zinc/55/61/85/775556185.db2.gz QBPABNHIYRMUGW-CYBMUJFWSA-N 1 1 311.342 -1.651 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001271201830 775557611 /nfs/dbraw/zinc/55/76/11/775557611.db2.gz WREVLZMITCBKKS-ZDUSSCGKSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001271201830 775557618 /nfs/dbraw/zinc/55/76/18/775557618.db2.gz WREVLZMITCBKKS-ZDUSSCGKSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001271201829 775558079 /nfs/dbraw/zinc/55/80/79/775558079.db2.gz WREVLZMITCBKKS-CYBMUJFWSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001271201829 775558085 /nfs/dbraw/zinc/55/80/85/775558085.db2.gz WREVLZMITCBKKS-CYBMUJFWSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)CCCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001271227794 775559312 /nfs/dbraw/zinc/55/93/12/775559312.db2.gz HIMLJAGQFPTXLB-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CNC(=O)CCCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001271227794 775559321 /nfs/dbraw/zinc/55/93/21/775559321.db2.gz HIMLJAGQFPTXLB-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CNC(=O)CCCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001271227793 775559628 /nfs/dbraw/zinc/55/96/28/775559628.db2.gz HIMLJAGQFPTXLB-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO CNC(=O)CCCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001271227793 775559632 /nfs/dbraw/zinc/55/96/32/775559632.db2.gz HIMLJAGQFPTXLB-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001271229854 775559774 /nfs/dbraw/zinc/55/97/74/775559774.db2.gz YAPCNEDIWVLMKS-YGRLFVJLSA-N 1 1 313.354 -2.025 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 ZINC001271242346 775560721 /nfs/dbraw/zinc/56/07/21/775560721.db2.gz NNGNSXXAFDBTMP-UHFFFAOYSA-N 1 1 301.412 -1.119 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088071622 775560983 /nfs/dbraw/zinc/56/09/83/775560983.db2.gz QFJIYJRLLSTKJE-ZJUUUORDSA-N 1 1 307.358 -1.650 20 0 DAADMO CNC(=O)NCCC(=O)NCC1(O)C[NH+](CCCOC)C1 ZINC001271276185 775563553 /nfs/dbraw/zinc/56/35/53/775563553.db2.gz MPJPYNFFRLHSCJ-UHFFFAOYSA-N 1 1 302.375 -1.495 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088072138 775564499 /nfs/dbraw/zinc/56/44/99/775564499.db2.gz PIZQHHDKEKBFMP-OUAUKWLOSA-N 1 1 321.385 -1.132 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088072139 775564779 /nfs/dbraw/zinc/56/47/79/775564779.db2.gz PIZQHHDKEKBFMP-VWYCJHECSA-N 1 1 321.385 -1.132 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088072296 775565312 /nfs/dbraw/zinc/56/53/12/775565312.db2.gz WSTUATWGVRDYAI-MXWKQRLJSA-N 1 1 321.385 -1.262 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001088074508 775567430 /nfs/dbraw/zinc/56/74/30/775567430.db2.gz QYKYSOLVNJJDNT-FRRDWIJNSA-N 1 1 322.409 -1.009 20 0 DAADMO C[NH+]1CCN(c2ncc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn2)CC1 ZINC001168049623 775569640 /nfs/dbraw/zinc/56/96/40/775569640.db2.gz SFNWLUBWORUOHF-ZRJCITRHSA-N 1 1 323.397 -1.257 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088611 775573554 /nfs/dbraw/zinc/57/35/54/775573554.db2.gz CZXXOMVHCMYCLA-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088088718 775573939 /nfs/dbraw/zinc/57/39/39/775573939.db2.gz ITGAYPPGIKHUDD-UTLUCORTSA-N 1 1 308.338 -1.943 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001088086707 775575125 /nfs/dbraw/zinc/57/51/25/775575125.db2.gz TVYXWBCFTCHLQU-OUAUKWLOSA-N 1 1 309.370 -1.806 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]2C1 ZINC001088088480 775575185 /nfs/dbraw/zinc/57/51/85/775575185.db2.gz WLZLLDAGAXXJHO-NEPJUHHUSA-N 1 1 324.381 -1.889 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001088089240 775575287 /nfs/dbraw/zinc/57/52/87/775575287.db2.gz HAUQZLLMAHUDJZ-MNOVXSKESA-N 1 1 322.365 -1.599 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)O1 ZINC001088104957 775576587 /nfs/dbraw/zinc/57/65/87/775576587.db2.gz KVSYUZAUXFQLGO-MROQNXINSA-N 1 1 311.382 -1.208 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]2C1 ZINC001088153098 775579074 /nfs/dbraw/zinc/57/90/74/775579074.db2.gz AGLZSDYIJVDSHT-KOLCDFICSA-N 1 1 319.365 -1.007 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1)N1CCOCC1 ZINC001088223814 775581961 /nfs/dbraw/zinc/58/19/61/775581961.db2.gz WWIFVBVYUHYIAB-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)c(=O)[nH]c1=O ZINC001088198757 775581996 /nfs/dbraw/zinc/58/19/96/775581996.db2.gz GUVGAEZSEAIRDR-MNOVXSKESA-N 1 1 322.365 -1.128 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223249 775582116 /nfs/dbraw/zinc/58/21/16/775582116.db2.gz STXNXRKAVDVSIP-MXWKQRLJSA-N 1 1 322.365 -1.695 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193800 775582587 /nfs/dbraw/zinc/58/25/87/775582587.db2.gz XATBJRASERPBBQ-ZJUUUORDSA-N 1 1 323.353 -2.196 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088205046 775583108 /nfs/dbraw/zinc/58/31/08/775583108.db2.gz ZSMWOYKKUOJSHE-WOPDTQHZSA-N 1 1 317.411 -1.549 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193803 775583294 /nfs/dbraw/zinc/58/32/94/775583294.db2.gz XHALLQFQTYPAOH-NEPJUHHUSA-N 1 1 324.381 -1.035 20 0 DAADMO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536599 775586693 /nfs/dbraw/zinc/58/66/93/775586693.db2.gz RGCBVTWDNYUFIO-UHFFFAOYSA-N 1 1 323.397 -1.366 20 0 DAADMO CN(C)CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536599 775586697 /nfs/dbraw/zinc/58/66/97/775586697.db2.gz RGCBVTWDNYUFIO-UHFFFAOYSA-N 1 1 323.397 -1.366 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C3(CO)COC3)C2)C1 ZINC001271661446 775591899 /nfs/dbraw/zinc/59/18/99/775591899.db2.gz POJSSXULAFMKFG-UHFFFAOYSA-N 1 1 311.382 -1.382 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001271690624 775592303 /nfs/dbraw/zinc/59/23/03/775592303.db2.gz OVBODYIZQIPEBQ-WOPDTQHZSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001271690624 775592311 /nfs/dbraw/zinc/59/23/11/775592311.db2.gz OVBODYIZQIPEBQ-WOPDTQHZSA-N 1 1 323.397 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001088284616 775595759 /nfs/dbraw/zinc/59/57/59/775595759.db2.gz IWCONCMTQLTQDQ-SNVBAGLBSA-N 1 1 309.374 -1.054 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001271873112 775600802 /nfs/dbraw/zinc/60/08/02/775600802.db2.gz BJYUQOQWLMLMOU-PHIMTYICSA-N 1 1 317.411 -1.313 20 0 DAADMO Cc1n[nH]c(C(=O)N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001271918019 775602640 /nfs/dbraw/zinc/60/26/40/775602640.db2.gz BJRWRTXXLSFPRL-UHFFFAOYSA-N 1 1 322.369 -1.272 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001271887980 775602936 /nfs/dbraw/zinc/60/29/36/775602936.db2.gz WHQZZERNOBXDEL-BETUJISGSA-N 1 1 324.385 -1.538 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001271948691 775605677 /nfs/dbraw/zinc/60/56/77/775605677.db2.gz DESOEQLQDKCBAS-MFKMUULPSA-N 1 1 303.359 -2.188 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C[C@H](C)O)C[C@@]2(C)C1 ZINC001101465602 775613297 /nfs/dbraw/zinc/61/32/97/775613297.db2.gz PVYDICNMKKLATK-LOWVWBTDSA-N 1 1 319.427 -1.303 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001272026995 775614645 /nfs/dbraw/zinc/61/46/45/775614645.db2.gz BJQIORYFGYZGRV-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001272026995 775614647 /nfs/dbraw/zinc/61/46/47/775614647.db2.gz BJQIORYFGYZGRV-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CC[N@H+]1CCN1CCNC1=O ZINC001088495884 775614688 /nfs/dbraw/zinc/61/46/88/775614688.db2.gz RPGHSERUDFNGQW-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001126689467 775619284 /nfs/dbraw/zinc/61/92/84/775619284.db2.gz XHMGXYKYAAUHHC-UHFFFAOYSA-N 1 1 312.378 -1.221 20 0 DAADMO CNC(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001126693112 775619401 /nfs/dbraw/zinc/61/94/01/775619401.db2.gz PRGNSQDCUGGWKD-UHFFFAOYSA-N 1 1 310.362 -1.467 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001272059221 775620894 /nfs/dbraw/zinc/62/08/94/775620894.db2.gz IUCKBEMYHUUHBN-VXGBXAGGSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001272059221 775620899 /nfs/dbraw/zinc/62/08/99/775620899.db2.gz IUCKBEMYHUUHBN-VXGBXAGGSA-N 1 1 307.354 -1.028 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001272058994 775621234 /nfs/dbraw/zinc/62/12/34/775621234.db2.gz DVARGNFWZLVJOH-JTQLQIEISA-N 1 1 322.369 -1.347 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001272058994 775621239 /nfs/dbraw/zinc/62/12/39/775621239.db2.gz DVARGNFWZLVJOH-JTQLQIEISA-N 1 1 322.369 -1.347 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001272059220 775621417 /nfs/dbraw/zinc/62/14/17/775621417.db2.gz IUCKBEMYHUUHBN-RYUDHWBXSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001272059220 775621423 /nfs/dbraw/zinc/62/14/23/775621423.db2.gz IUCKBEMYHUUHBN-RYUDHWBXSA-N 1 1 307.354 -1.028 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001272064820 775622821 /nfs/dbraw/zinc/62/28/21/775622821.db2.gz IYDZLKXSFZMAKH-KXNHARMFSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001272064820 775622825 /nfs/dbraw/zinc/62/28/25/775622825.db2.gz IYDZLKXSFZMAKH-KXNHARMFSA-N 1 1 308.382 -1.271 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H]4C(N)=O)CC3)[C@@H]2C1 ZINC001272065963 775624374 /nfs/dbraw/zinc/62/43/74/775624374.db2.gz WKBPFEWHASEJCD-DDHJBXDOSA-N 1 1 320.393 -1.223 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211959323 775627449 /nfs/dbraw/zinc/62/74/49/775627449.db2.gz GMPCAYWWCRLBGU-IJLUTSLNSA-N 1 1 314.386 -1.138 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211959323 775627452 /nfs/dbraw/zinc/62/74/52/775627452.db2.gz GMPCAYWWCRLBGU-IJLUTSLNSA-N 1 1 314.386 -1.138 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001272080715 775627636 /nfs/dbraw/zinc/62/76/36/775627636.db2.gz RENKLFJHSOOWHQ-UHFFFAOYSA-N 1 1 323.357 -1.331 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CC[N@H+](C)CCN1C(=O)CNC1=O ZINC001272080715 775627640 /nfs/dbraw/zinc/62/76/40/775627640.db2.gz RENKLFJHSOOWHQ-UHFFFAOYSA-N 1 1 323.357 -1.331 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001272080715 775627642 /nfs/dbraw/zinc/62/76/42/775627642.db2.gz RENKLFJHSOOWHQ-UHFFFAOYSA-N 1 1 323.357 -1.331 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088578959 775627974 /nfs/dbraw/zinc/62/79/74/775627974.db2.gz GJAAFVONPAFSMT-BBBLOLIVSA-N 1 1 310.358 -1.663 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001272087001 775629155 /nfs/dbraw/zinc/62/91/55/775629155.db2.gz JUHLUGCKVBSKFT-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CCC1=O)C(=O)c1nnn(C)n1 ZINC001272086554 775629402 /nfs/dbraw/zinc/62/94/02/775629402.db2.gz BUVGRGPYNZAHTP-UHFFFAOYSA-N 1 1 323.357 -1.637 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001088605580 775631000 /nfs/dbraw/zinc/63/10/00/775631000.db2.gz XHBJWPQKVKPFMM-UTUOFQBUSA-N 1 1 324.381 -1.493 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCCO ZINC001088606291 775631432 /nfs/dbraw/zinc/63/14/32/775631432.db2.gz KQDDKXJFSKYDGP-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC001088605579 775631596 /nfs/dbraw/zinc/63/15/96/775631596.db2.gz XHBJWPQKVKPFMM-TUAOUCFPSA-N 1 1 324.381 -1.493 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001212066541 775633883 /nfs/dbraw/zinc/63/38/83/775633883.db2.gz BUYNLFXQCLATKT-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212073599 775635835 /nfs/dbraw/zinc/63/58/35/775635835.db2.gz IIONTTWBCHHSOP-IVZWLZJFSA-N 1 1 300.359 -1.846 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212073599 775635839 /nfs/dbraw/zinc/63/58/39/775635839.db2.gz IIONTTWBCHHSOP-IVZWLZJFSA-N 1 1 300.359 -1.846 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CC(N)=O ZINC001212073603 775635913 /nfs/dbraw/zinc/63/59/13/775635913.db2.gz ILOMKGBNHPPGAM-GMTAPVOTSA-N 1 1 322.369 -1.544 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CC(N)=O ZINC001212071519 775635950 /nfs/dbraw/zinc/63/59/50/775635950.db2.gz STAXHVDLEYEQNR-VXGBXAGGSA-N 1 1 324.385 -1.414 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CC(N)=O ZINC001212071519 775635953 /nfs/dbraw/zinc/63/59/53/775635953.db2.gz STAXHVDLEYEQNR-VXGBXAGGSA-N 1 1 324.385 -1.414 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(CCO)CC[NH2+]Cc1cnns1 ZINC001272103418 775636186 /nfs/dbraw/zinc/63/61/86/775636186.db2.gz DBVTVIHSKFDUMT-VIFPVBQESA-N 1 1 315.399 -1.027 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071625 775636191 /nfs/dbraw/zinc/63/61/91/775636191.db2.gz YOEBNTGOBNEKMS-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071625 775636194 /nfs/dbraw/zinc/63/61/94/775636194.db2.gz YOEBNTGOBNEKMS-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212073600 775636249 /nfs/dbraw/zinc/63/62/49/775636249.db2.gz IIONTTWBCHHSOP-OPRDCNLKSA-N 1 1 300.359 -1.846 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CC(N)=O ZINC001212073600 775636253 /nfs/dbraw/zinc/63/62/53/775636253.db2.gz IIONTTWBCHHSOP-OPRDCNLKSA-N 1 1 300.359 -1.846 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CC(N)=O ZINC001212073604 775636360 /nfs/dbraw/zinc/63/63/60/775636360.db2.gz ILOMKGBNHPPGAM-HBNTYKKESA-N 1 1 322.369 -1.544 20 0 DAADMO Cn1nccc1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001272124043 775637566 /nfs/dbraw/zinc/63/75/66/775637566.db2.gz BGVUXXXPXWBENB-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cnns1 ZINC001272124800 775637997 /nfs/dbraw/zinc/63/79/97/775637997.db2.gz OASVTTJJHMSOEK-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)Cn1cccn1 ZINC001272116468 775638112 /nfs/dbraw/zinc/63/81/12/775638112.db2.gz IJGXPQAKPABWON-UHFFFAOYSA-N 1 1 307.358 -1.378 20 0 DAADMO CNC(=O)C1(C(=O)N(C)CCN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001272131833 775639148 /nfs/dbraw/zinc/63/91/48/775639148.db2.gz NVHKYKRCSMCLNF-UHFFFAOYSA-N 1 1 324.385 -1.475 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)c2nccnc2N)n1 ZINC001272129830 775639614 /nfs/dbraw/zinc/63/96/14/775639614.db2.gz RKNWIQKHDICGMD-UHFFFAOYSA-N 1 1 320.357 -1.588 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001272152182 775639808 /nfs/dbraw/zinc/63/98/08/775639808.db2.gz QQZRBWWKZMBNFT-SECBINFHSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001272152182 775639813 /nfs/dbraw/zinc/63/98/13/775639813.db2.gz QQZRBWWKZMBNFT-SECBINFHSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1cnn(C)n1 ZINC001272150544 775640368 /nfs/dbraw/zinc/64/03/68/775640368.db2.gz ZARIBEVWDZDJOE-VIFPVBQESA-N 1 1 313.362 -2.218 20 0 DAADMO CCc1ocnc1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001272136076 775640486 /nfs/dbraw/zinc/64/04/86/775640486.db2.gz FQADJNUREJXXMT-UHFFFAOYSA-N 1 1 323.357 -1.015 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CC(=O)N4)CC3)[C@@H]2C1 ZINC001272157646 775641236 /nfs/dbraw/zinc/64/12/36/775641236.db2.gz UHYYKBDDDKTXRD-GMTAPVOTSA-N 1 1 306.366 -1.456 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CC(=O)N4)CC3)[C@@H]2C1 ZINC001272157647 775641492 /nfs/dbraw/zinc/64/14/92/775641492.db2.gz UHYYKBDDDKTXRD-MXWKQRLJSA-N 1 1 306.366 -1.456 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@H]2COC(=O)N2)n1 ZINC001272155403 775641703 /nfs/dbraw/zinc/64/17/03/775641703.db2.gz RHZDPFCFKBFXKX-SNVBAGLBSA-N 1 1 312.330 -2.166 20 0 DAADMO Cn1ccc(CC(=O)N(CCO)CC[NH2+]Cc2ncnn2C)n1 ZINC001272163055 775642665 /nfs/dbraw/zinc/64/26/65/775642665.db2.gz XNADKWXSQFQLKK-UHFFFAOYSA-N 1 1 321.385 -1.298 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001272164938 775642682 /nfs/dbraw/zinc/64/26/82/775642682.db2.gz IPRNZGXCDWDGOS-JTQLQIEISA-N 1 1 308.342 -1.527 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001272164938 775642683 /nfs/dbraw/zinc/64/26/83/775642683.db2.gz IPRNZGXCDWDGOS-JTQLQIEISA-N 1 1 308.342 -1.527 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164521 775642875 /nfs/dbraw/zinc/64/28/75/775642875.db2.gz CLMVXCVRODFKES-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001272164521 775642880 /nfs/dbraw/zinc/64/28/80/775642880.db2.gz CLMVXCVRODFKES-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCCO ZINC001088675313 775646293 /nfs/dbraw/zinc/64/62/93/775646293.db2.gz JNMQTIHLWODLRB-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC001088680642 775646837 /nfs/dbraw/zinc/64/68/37/775646837.db2.gz SGFRQSAFNFZSCN-XQQFMLRXSA-N 1 1 312.414 -1.280 20 0 DAADMO CCOCC[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149137748 775648106 /nfs/dbraw/zinc/64/81/06/775648106.db2.gz QYJHCMCZGVZYPM-LLVKDONJSA-N 1 1 302.375 -1.102 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)NC2)nn1 ZINC001272202890 775652487 /nfs/dbraw/zinc/65/24/87/775652487.db2.gz YXOOLQDVNMIYCU-NSHDSACASA-N 1 1 324.385 -1.748 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC001088712762 775653846 /nfs/dbraw/zinc/65/38/46/775653846.db2.gz DXMGVCYGRAGXPT-BDAKNGLRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC001088712762 775653851 /nfs/dbraw/zinc/65/38/51/775653851.db2.gz DXMGVCYGRAGXPT-BDAKNGLRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCCO ZINC001088714340 775654015 /nfs/dbraw/zinc/65/40/15/775654015.db2.gz BHHPITHTKMNQRT-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H]1C ZINC001088757778 775656046 /nfs/dbraw/zinc/65/60/46/775656046.db2.gz NLYTVVXSJYYDBE-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H]1C ZINC001088757778 775656053 /nfs/dbraw/zinc/65/60/53/775656053.db2.gz NLYTVVXSJYYDBE-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CCn1cncn1 ZINC001088794458 775657833 /nfs/dbraw/zinc/65/78/33/775657833.db2.gz FQTQEIDSFRQOEQ-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088796188 775658067 /nfs/dbraw/zinc/65/80/67/775658067.db2.gz YXUDVTOGWCDDMD-GRYCIOLGSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CCN1CCNC1=O ZINC001088794698 775658232 /nfs/dbraw/zinc/65/82/32/775658232.db2.gz RTGBSECGBWXKES-UTUOFQBUSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@]2(F)CCOC2)n1 ZINC001272241795 775660676 /nfs/dbraw/zinc/66/06/76/775660676.db2.gz AIZYRVBAXWLWOA-ZDUSSCGKSA-N 1 1 315.349 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088828353 775662417 /nfs/dbraw/zinc/66/24/17/775662417.db2.gz HZZCTKNYDQHVGA-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088828353 775662421 /nfs/dbraw/zinc/66/24/21/775662421.db2.gz HZZCTKNYDQHVGA-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)n[nH]1 ZINC001126912378 775662502 /nfs/dbraw/zinc/66/25/02/775662502.db2.gz LSMNYLAZPJGVOV-UHFFFAOYSA-N 1 1 323.357 -2.680 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001272242854 775662544 /nfs/dbraw/zinc/66/25/44/775662544.db2.gz MUDVEWDESTVWDH-UHFFFAOYSA-N 1 1 320.353 -1.272 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)n[nH]1 ZINC001126912337 775662639 /nfs/dbraw/zinc/66/26/39/775662639.db2.gz KAGLQRUYMLVPGJ-UHFFFAOYSA-N 1 1 310.358 -1.780 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)[nH]1 ZINC001272243730 775662704 /nfs/dbraw/zinc/66/27/04/775662704.db2.gz VUUOVZDOQDSYJX-VIFPVBQESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CCN1CCCC1=O ZINC001088829379 775662941 /nfs/dbraw/zinc/66/29/41/775662941.db2.gz PMBYPOJHUGXFFM-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)n[nH]1 ZINC001126912554 775663549 /nfs/dbraw/zinc/66/35/49/775663549.db2.gz POAZYTUDWMFMBG-UHFFFAOYSA-N 1 1 318.341 -1.210 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)n[nH]1 ZINC001126926970 775665123 /nfs/dbraw/zinc/66/51/23/775665123.db2.gz WPVRIINKIZNIDI-NSHDSACASA-N 1 1 324.385 -1.486 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)n[nH]1 ZINC001126920783 775665297 /nfs/dbraw/zinc/66/52/97/775665297.db2.gz CALABRBEQBCUAP-UHFFFAOYSA-N 1 1 309.330 -2.087 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCCS(C)(=O)=O)n[nH]1 ZINC001126921455 775665415 /nfs/dbraw/zinc/66/54/15/775665415.db2.gz PHXTYWNHWGCXJI-UHFFFAOYSA-N 1 1 303.388 -1.204 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)n[nH]1 ZINC001126921407 775665525 /nfs/dbraw/zinc/66/55/25/775665525.db2.gz NSYKVFCUMRJCDU-JTQLQIEISA-N 1 1 324.385 -1.391 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126921363 775665602 /nfs/dbraw/zinc/66/56/02/775665602.db2.gz LMDHWCQCPQHGCP-UHFFFAOYSA-N 1 1 312.374 -1.486 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098667086 775666900 /nfs/dbraw/zinc/66/69/00/775666900.db2.gz QDLGMIPPROQZEF-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098667085 775666913 /nfs/dbraw/zinc/66/69/13/775666913.db2.gz QDLGMIPPROQZEF-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@]2(C)CCNC2=O)nn1 ZINC001272258496 775666962 /nfs/dbraw/zinc/66/69/62/775666962.db2.gz NCCIQOMMAZEDIO-AWEZNQCLSA-N 1 1 324.385 -1.748 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2nnnn2C)nn1 ZINC001127026872 775669801 /nfs/dbraw/zinc/66/98/01/775669801.db2.gz AHMBNTQMMHFYBQ-UHFFFAOYSA-N 1 1 309.334 -2.032 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035984 775671562 /nfs/dbraw/zinc/67/15/62/775671562.db2.gz WIHAGQAHWRZCNI-UHFFFAOYSA-N 1 1 309.374 -1.174 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CNC(=O)N1CCCC1)c1nnnn1C ZINC001127035928 775671927 /nfs/dbraw/zinc/67/19/27/775671927.db2.gz TVDVHTZNTDFTMP-JTQLQIEISA-N 1 1 324.389 -1.218 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2cnn(C)n2)nn1 ZINC001127057144 775673872 /nfs/dbraw/zinc/67/38/72/775673872.db2.gz YJQQKEZRAQWONW-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001127056933 775674082 /nfs/dbraw/zinc/67/40/82/775674082.db2.gz OUWNYQLMEGHKGY-UHFFFAOYSA-N 1 1 308.346 -1.129 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCS(=O)(=O)NC)nn1 ZINC001127088378 775675120 /nfs/dbraw/zinc/67/51/20/775675120.db2.gz XZJKVNZZSLIXAU-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO Cn1ccnc1C[NH+]1CCC(C(=O)NC(C(N)=O)C(N)=O)CC1 ZINC001127112895 775684573 /nfs/dbraw/zinc/68/45/73/775684573.db2.gz CVMKLZDGJOURFD-UHFFFAOYSA-N 1 1 322.369 -1.913 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212158746 775686759 /nfs/dbraw/zinc/68/67/59/775686759.db2.gz HUYZWTPSWMEMCG-GMTAPVOTSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212158746 775686766 /nfs/dbraw/zinc/68/67/66/775686766.db2.gz HUYZWTPSWMEMCG-GMTAPVOTSA-N 1 1 314.386 -1.408 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nccnc2F)C1 ZINC001105769263 775688481 /nfs/dbraw/zinc/68/84/81/775688481.db2.gz JHIYCYIVXPFRTO-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nccnc2F)C1 ZINC001105769263 775688487 /nfs/dbraw/zinc/68/84/87/775688487.db2.gz JHIYCYIVXPFRTO-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc(F)ncn2)C1 ZINC001105769282 775689248 /nfs/dbraw/zinc/68/92/48/775689248.db2.gz JNUIGBXLNZOLHU-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc(F)ncn2)C1 ZINC001105769282 775689252 /nfs/dbraw/zinc/68/92/52/775689252.db2.gz JNUIGBXLNZOLHU-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc(F)ncn2)C1 ZINC001105769279 775689262 /nfs/dbraw/zinc/68/92/62/775689262.db2.gz JNUIGBXLNZOLHU-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc(F)ncn2)C1 ZINC001105769279 775689266 /nfs/dbraw/zinc/68/92/66/775689266.db2.gz JNUIGBXLNZOLHU-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2ncc(F)cn2)C1 ZINC001105769406 775690159 /nfs/dbraw/zinc/69/01/59/775690159.db2.gz LCTTVVUZNZYSMI-WDEREUQCSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2ncc(F)cn2)C1 ZINC001105769406 775690165 /nfs/dbraw/zinc/69/01/65/775690165.db2.gz LCTTVVUZNZYSMI-WDEREUQCSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cnc(F)cn2)C1 ZINC001105769447 775690293 /nfs/dbraw/zinc/69/02/93/775690293.db2.gz LUBCEKWFSVWTCN-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cnc(F)cn2)C1 ZINC001105769447 775690298 /nfs/dbraw/zinc/69/02/98/775690298.db2.gz LUBCEKWFSVWTCN-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001212170238 775703821 /nfs/dbraw/zinc/70/38/21/775703821.db2.gz OMENPALOSQSHOZ-HBNTYKKESA-N 1 1 318.374 -2.133 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105854372 775705469 /nfs/dbraw/zinc/70/54/69/775705469.db2.gz YGHRFNYXNGITIA-ZJUUUORDSA-N 1 1 320.357 -1.640 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001120332034 775716734 /nfs/dbraw/zinc/71/67/34/775716734.db2.gz AZYCBBHFGQQDEW-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001120332034 775716741 /nfs/dbraw/zinc/71/67/41/775716741.db2.gz AZYCBBHFGQQDEW-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105969769 775718489 /nfs/dbraw/zinc/71/84/89/775718489.db2.gz MYTBQFFYVAOEAO-NXEZZACHSA-N 1 1 322.369 -1.169 20 0 DAADMO CCc1nc(NC[C@@H](O)CNC(=O)Cn2ncnn2)cc(C)[nH+]1 ZINC001105974564 775719643 /nfs/dbraw/zinc/71/96/43/775719643.db2.gz CPTVJUNWJGLPIV-SNVBAGLBSA-N 1 1 320.357 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1cncnc1 ZINC001212183099 775721548 /nfs/dbraw/zinc/72/15/48/775721548.db2.gz RLVRSYFMHUBOCG-ZIAGYGMSSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCCON)CN1CC[NH+](C)CC1 ZINC001120429521 775722561 /nfs/dbraw/zinc/72/25/61/775722561.db2.gz VUPVWJAUCMKETG-GFCCVEGCSA-N 1 1 315.418 -1.617 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)CC[N@H+]1CCO ZINC001088847752 775723019 /nfs/dbraw/zinc/72/30/19/775723019.db2.gz KZMQTKPMVQKGGO-APPZFPTMSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088864467 775725692 /nfs/dbraw/zinc/72/56/92/775725692.db2.gz MTSUMJGVGLXXML-WYUUTHIRSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088864467 775725701 /nfs/dbraw/zinc/72/57/01/775725701.db2.gz MTSUMJGVGLXXML-WYUUTHIRSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@@H+]1CC(N)=O ZINC001088870744 775732261 /nfs/dbraw/zinc/73/22/61/775732261.db2.gz DELCFRRPDRUSJG-MXWKQRLJSA-N 1 1 321.385 -1.310 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)CC[N@H+]1CC(N)=O ZINC001088870744 775732269 /nfs/dbraw/zinc/73/22/69/775732269.db2.gz DELCFRRPDRUSJG-MXWKQRLJSA-N 1 1 321.385 -1.310 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@H+]1CCO ZINC001088913435 775735067 /nfs/dbraw/zinc/73/50/67/775735067.db2.gz WBPUKQRLSYEDID-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098766892 775735099 /nfs/dbraw/zinc/73/50/99/775735099.db2.gz HRMAYKGALOVJNK-RYUDHWBXSA-N 1 1 322.369 -1.588 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC001089012592 775737107 /nfs/dbraw/zinc/73/71/07/775737107.db2.gz DNLQPPVVBZNXPQ-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC001089012592 775737126 /nfs/dbraw/zinc/73/71/26/775737126.db2.gz DNLQPPVVBZNXPQ-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC001088961414 775737179 /nfs/dbraw/zinc/73/71/79/775737179.db2.gz BMAYGEDQVDLUDF-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC001088961414 775737184 /nfs/dbraw/zinc/73/71/84/775737184.db2.gz BMAYGEDQVDLUDF-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CCN(C(N)=O)CC2)CC[N@@H+]1CC(N)=O ZINC001089029885 775737427 /nfs/dbraw/zinc/73/74/27/775737427.db2.gz YPYBEOWOGLDHHE-KOLCDFICSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CCN(C(N)=O)CC2)CC[N@H+]1CC(N)=O ZINC001089029885 775737434 /nfs/dbraw/zinc/73/74/34/775737434.db2.gz YPYBEOWOGLDHHE-KOLCDFICSA-N 1 1 311.386 -1.159 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC001089013133 775738074 /nfs/dbraw/zinc/73/80/74/775738074.db2.gz DNANEIBQMVRFAH-SCZZXKLOSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC001089013133 775738083 /nfs/dbraw/zinc/73/80/83/775738083.db2.gz DNANEIBQMVRFAH-SCZZXKLOSA-N 1 1 310.358 -2.045 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCCO ZINC001088979084 775738181 /nfs/dbraw/zinc/73/81/81/775738181.db2.gz STZSNIRGGUSSHU-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089059689 775740147 /nfs/dbraw/zinc/74/01/47/775740147.db2.gz WDKJLNXBQKGVMI-AXFHLTTASA-N 1 1 324.385 -1.009 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)CC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001089140769 775742916 /nfs/dbraw/zinc/74/29/16/775742916.db2.gz GTHZZXMTOLNDAW-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)CC2 ZINC001272323742 775748971 /nfs/dbraw/zinc/74/89/71/775748971.db2.gz DJQKRFGAVSJGKZ-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC001089177833 775749096 /nfs/dbraw/zinc/74/90/96/775749096.db2.gz YMDXYEPHOJMSLY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(=O)C(C)(C)C)c1nnnn1C ZINC001272380822 775754324 /nfs/dbraw/zinc/75/43/24/775754324.db2.gz PAGILMNHHNEHPS-BDAKNGLRSA-N 1 1 312.374 -1.047 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H](O)CNC(=O)CC(N)=O)s1 ZINC001272382033 775755701 /nfs/dbraw/zinc/75/57/01/775755701.db2.gz YWTGHRMANMQXDD-ZETCQYMHSA-N 1 1 301.372 -1.457 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCNC2=O)nn1 ZINC001272442197 775758938 /nfs/dbraw/zinc/75/89/38/775758938.db2.gz CXCHZMMOIQDNGG-RYUDHWBXSA-N 1 1 324.385 -1.609 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001212196644 775759777 /nfs/dbraw/zinc/75/97/77/775759777.db2.gz YSPKRMRMFQKCSW-GMTAPVOTSA-N 1 1 317.342 -2.081 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272460529 775761289 /nfs/dbraw/zinc/76/12/89/775761289.db2.gz CEAJHSNSPWQRAZ-SSDOTTSWSA-N 1 1 320.300 -2.237 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F)[nH]1 ZINC001272460547 775762185 /nfs/dbraw/zinc/76/21/85/775762185.db2.gz CPKIBNDXMXEFSO-SSDOTTSWSA-N 1 1 320.300 -1.939 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001272503890 775766089 /nfs/dbraw/zinc/76/60/89/775766089.db2.gz IHPUMDBUIKXMDM-ZJUUUORDSA-N 1 1 311.342 -1.577 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001272503887 775767247 /nfs/dbraw/zinc/76/72/47/775767247.db2.gz IHPUMDBUIKXMDM-NXEZZACHSA-N 1 1 311.342 -1.577 20 0 DAADMO NC(=O)C(=O)NC[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC001272513591 775768167 /nfs/dbraw/zinc/76/81/67/775768167.db2.gz PYJFKGYXLWMNNL-GFCCVEGCSA-N 1 1 318.337 -1.681 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C2(C(N)=O)CC2)nc1 ZINC001272511480 775768497 /nfs/dbraw/zinc/76/84/97/775768497.db2.gz CDAVFNHFRCFNOR-JTQLQIEISA-N 1 1 307.354 -1.383 20 0 DAADMO CS(=O)(=O)CCC[NH2+]C[C@H](O)CNC(=O)c1[nH]ncc1F ZINC001272511937 775768509 /nfs/dbraw/zinc/76/85/09/775768509.db2.gz HYYRXNBDZBURJR-QMMMGPOBSA-N 1 1 322.362 -1.336 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC2=O)nn1 ZINC001272520024 775768905 /nfs/dbraw/zinc/76/89/05/775768905.db2.gz FKYDVISYIJQLKU-SMDDNHRTSA-N 1 1 324.385 -1.609 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1)c1nncn1C ZINC001272513828 775768972 /nfs/dbraw/zinc/76/89/72/775768972.db2.gz RKERNQLNEFPHQA-BDAKNGLRSA-N 1 1 310.358 -1.792 20 0 DAADMO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001272530542 775770335 /nfs/dbraw/zinc/77/03/35/775770335.db2.gz WYUYYCIMIPHIBY-ZDUSSCGKSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C1CC[C@@H](C[N@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)N1 ZINC001272528718 775770431 /nfs/dbraw/zinc/77/04/31/775770431.db2.gz WPGCHBWDGIAMDS-NHYWBVRUSA-N 1 1 309.366 -1.033 20 0 DAADMO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001272530541 775770606 /nfs/dbraw/zinc/77/06/06/775770606.db2.gz WYUYYCIMIPHIBY-CYBMUJFWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001272575074 775779695 /nfs/dbraw/zinc/77/96/95/775779695.db2.gz MCMVTQUULNWJCK-SECBINFHSA-N 1 1 311.298 -2.207 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001272574432 775780466 /nfs/dbraw/zinc/78/04/66/775780466.db2.gz HKSOMAGRPRWWEB-GHMZBOCLSA-N 1 1 307.416 -1.951 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001272592376 775785707 /nfs/dbraw/zinc/78/57/07/775785707.db2.gz NURYXKMQBOIHGX-SCZZXKLOSA-N 1 1 310.310 -1.706 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106511770 775789164 /nfs/dbraw/zinc/78/91/64/775789164.db2.gz XFBMDTXHPHHLMQ-VXNVDRBHSA-N 1 1 323.357 -1.394 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2C(=O)CC(C)(C)C2=O)nn1 ZINC001127374748 775793163 /nfs/dbraw/zinc/79/31/63/775793163.db2.gz WGTLJOSRCKJPLY-UHFFFAOYSA-N 1 1 322.369 -1.194 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001127374351 775793268 /nfs/dbraw/zinc/79/32/68/775793268.db2.gz PSCKPJMXNFAFAT-UHFFFAOYSA-N 1 1 323.357 -1.799 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272626506 775794363 /nfs/dbraw/zinc/79/43/63/775794363.db2.gz ZJSNBKWYSJNJQD-DLOVCJGASA-N 1 1 321.381 -1.121 20 0 DAADMO C[C@H]1c2ncc(CC(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272626506 775794371 /nfs/dbraw/zinc/79/43/71/775794371.db2.gz ZJSNBKWYSJNJQD-DLOVCJGASA-N 1 1 321.381 -1.121 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2CCCO[C@H]2[C@@H](C(N)=O)C1 ZINC001272625047 775794628 /nfs/dbraw/zinc/79/46/28/775794628.db2.gz FPZYORXAGYBDGQ-QNWJLWSRSA-N 1 1 311.382 -1.210 20 0 DAADMO COCCCC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001280557859 775795079 /nfs/dbraw/zinc/79/50/79/775795079.db2.gz FPPFPXLEJPVGSV-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@H]2C(=O)NCC2COC2)C1 ZINC001272630408 775795508 /nfs/dbraw/zinc/79/55/08/775795508.db2.gz WCHSDBKQJSEINC-AVGNSLFASA-N 1 1 323.393 -1.338 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)O1 ZINC001272630076 775795620 /nfs/dbraw/zinc/79/56/20/775795620.db2.gz SCDFUVLPSVUFGB-SRVKXCTJSA-N 1 1 311.382 -1.100 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)O1 ZINC001272630076 775795628 /nfs/dbraw/zinc/79/56/28/775795628.db2.gz SCDFUVLPSVUFGB-SRVKXCTJSA-N 1 1 311.382 -1.100 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433194 775801383 /nfs/dbraw/zinc/80/13/83/775801383.db2.gz IEECUKLMKGOZDY-UHFFFAOYSA-N 1 1 307.362 -1.111 20 0 DAADMO CC1(C)C[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+](CC(N)=O)C1 ZINC001089386297 775802340 /nfs/dbraw/zinc/80/23/40/775802340.db2.gz ODNRBKMMOJJQGH-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001127433353 775802402 /nfs/dbraw/zinc/80/24/02/775802402.db2.gz MYLLFQBONBSYRC-UHFFFAOYSA-N 1 1 305.346 -1.493 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ncnn1)c1nnnn1C1CC1 ZINC001127438392 775803728 /nfs/dbraw/zinc/80/37/28/775803728.db2.gz QKVKEZJUJKIATA-MRVPVSSYSA-N 1 1 306.334 -1.539 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1nnc2n1CCCCC2 ZINC001127437735 775804765 /nfs/dbraw/zinc/80/47/65/775804765.db2.gz GFEVWEMDZURCJU-UHFFFAOYSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)c1nnnn1C ZINC001127558165 775812308 /nfs/dbraw/zinc/81/23/08/775812308.db2.gz GASDSTSMKTZHSR-KXUCPTDWSA-N 1 1 309.374 -1.108 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212267828 775812733 /nfs/dbraw/zinc/81/27/33/775812733.db2.gz DPACBWCVXSSKJM-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212272770 775814936 /nfs/dbraw/zinc/81/49/36/775814936.db2.gz YTVNYQDLDNZVQH-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ncnn2)C1 ZINC001089818830 775817736 /nfs/dbraw/zinc/81/77/36/775817736.db2.gz YPELACHHHZRTBW-BJDJZHNGSA-N 1 1 319.369 -1.673 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)no1 ZINC001127648162 775818551 /nfs/dbraw/zinc/81/85/51/775818551.db2.gz IBBDLPWWCWLFEC-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001127652956 775819652 /nfs/dbraw/zinc/81/96/52/775819652.db2.gz IGTRUXLDSWWUNU-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)c(C)o1 ZINC001127652936 775820199 /nfs/dbraw/zinc/82/01/99/775820199.db2.gz HRPWJVOFSFUAMB-UHFFFAOYSA-N 1 1 321.341 -1.112 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653464 775821561 /nfs/dbraw/zinc/82/15/61/775821561.db2.gz XPNCNRXJWDWNOG-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089854049 775821649 /nfs/dbraw/zinc/82/16/49/775821649.db2.gz ZPHPYBDQGOXCLP-BQUFFADESA-N 1 1 318.381 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCOC2)[C@H](OC)C1 ZINC001212346807 775822389 /nfs/dbraw/zinc/82/23/89/775822389.db2.gz BAGMQEMYTPGJDC-UMSGYPCISA-N 1 1 302.371 -1.154 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089854052 775822555 /nfs/dbraw/zinc/82/25/55/775822555.db2.gz ZPHPYBDQGOXCLP-RYDUCSDGSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)n1 ZINC001089852373 775822966 /nfs/dbraw/zinc/82/29/66/775822966.db2.gz DSBAFYGNCMBCCJ-SYEHKZFSSA-N 1 1 318.381 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C(N)=O)CC1 ZINC001089859617 775823505 /nfs/dbraw/zinc/82/35/05/775823505.db2.gz QQCFWNAAIPIUKX-QCNOEVLYSA-N 1 1 320.393 -1.094 20 0 DAADMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CS(C)(=O)=O)on1 ZINC001124357321 775823679 /nfs/dbraw/zinc/82/36/79/775823679.db2.gz XTMZUHXXZILEPI-UHFFFAOYSA-N 1 1 318.355 -1.328 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001124362464 775823824 /nfs/dbraw/zinc/82/38/24/775823824.db2.gz MPTKFTYLQIADAZ-UHFFFAOYSA-N 1 1 315.399 -1.135 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2cscn2)n1 ZINC001127689883 775824501 /nfs/dbraw/zinc/82/45/01/775824501.db2.gz AKGXXDJZIDFBRS-UHFFFAOYSA-N 1 1 309.355 -1.261 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124879330 775831788 /nfs/dbraw/zinc/83/17/88/775831788.db2.gz RPGSCZDDWGFMRX-OLZOCXBDSA-N 1 1 303.403 -1.190 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124879329 775831959 /nfs/dbraw/zinc/83/19/59/775831959.db2.gz RPGSCZDDWGFMRX-CHWSQXEVSA-N 1 1 303.403 -1.190 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124879394 775832118 /nfs/dbraw/zinc/83/21/18/775832118.db2.gz SQSFVPHQSBTSJJ-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124873538 775832613 /nfs/dbraw/zinc/83/26/13/775832613.db2.gz XKUQSGHJWGLNKC-UHFFFAOYSA-N 1 1 310.358 -1.460 20 0 DAADMO Cc1nn2c(nc(C[NH2+]CCNC(=O)CC(N)=O)cc2=O)s1 ZINC001125079690 775837743 /nfs/dbraw/zinc/83/77/43/775837743.db2.gz FZAMZOKLARLEMI-UHFFFAOYSA-N 1 1 324.366 -1.459 20 0 DAADMO O=S(=O)([N-][C@@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001238244998 775838198 /nfs/dbraw/zinc/83/81/98/775838198.db2.gz ZEDXOCFXKLUTAV-DTWKUNHWSA-N 1 1 309.413 -2.203 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001125223284 775840407 /nfs/dbraw/zinc/84/04/07/775840407.db2.gz ZPNYNHFTWFIWIX-LLVKDONJSA-N 1 1 309.374 -1.456 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001125223284 775840413 /nfs/dbraw/zinc/84/04/13/775840413.db2.gz ZPNYNHFTWFIWIX-LLVKDONJSA-N 1 1 309.374 -1.456 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CN(C)CCO2)n1C ZINC001125213636 775840604 /nfs/dbraw/zinc/84/06/04/775840604.db2.gz JLLPWQPRJCUISB-NSHDSACASA-N 1 1 310.402 -1.086 20 0 DAADMO CC(C)n1nnnc1CNCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213836 775842586 /nfs/dbraw/zinc/84/25/86/775842586.db2.gz LWNNTLSHXJLCOB-LLVKDONJSA-N 1 1 311.390 -1.210 20 0 DAADMO CC(C)n1nnnc1CNCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213836 775842595 /nfs/dbraw/zinc/84/25/95/775842595.db2.gz LWNNTLSHXJLCOB-LLVKDONJSA-N 1 1 311.390 -1.210 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107119528 775845287 /nfs/dbraw/zinc/84/52/87/775845287.db2.gz DTKPXLDXPLEHII-SNVBAGLBSA-N 1 1 324.385 -1.342 20 0 DAADMO COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107116849 775845344 /nfs/dbraw/zinc/84/53/44/775845344.db2.gz HXWOTKVPOLAVMS-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO NC(=O)NCC(=O)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107123933 775847038 /nfs/dbraw/zinc/84/70/38/775847038.db2.gz QHJRAWWUVWGEDZ-UHFFFAOYSA-N 1 1 313.337 -1.221 20 0 DAADMO COCCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150778 775849434 /nfs/dbraw/zinc/84/94/34/775849434.db2.gz ZBNOMGRZXAMSRJ-UHFFFAOYSA-N 1 1 310.358 -1.337 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107160994 775850043 /nfs/dbraw/zinc/85/00/43/775850043.db2.gz SUKXNZHSAIIOAS-UHFFFAOYSA-N 1 1 310.358 -1.731 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107164269 775850062 /nfs/dbraw/zinc/85/00/62/775850062.db2.gz YOSLGSQNJOPFEY-SECBINFHSA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107152434 775851183 /nfs/dbraw/zinc/85/11/83/775851183.db2.gz BKVJBGIQRAABAK-SNVBAGLBSA-N 1 1 324.385 -1.213 20 0 DAADMO CCNC(=O)CC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107162964 775851250 /nfs/dbraw/zinc/85/12/50/775851250.db2.gz WLENGQKEUWYYAT-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3CN=NC3=O)nn2)C1 ZINC001107162968 775851461 /nfs/dbraw/zinc/85/14/61/775851461.db2.gz WTIAGZLSOIEONO-UHFFFAOYSA-N 1 1 306.330 -1.232 20 0 DAADMO O=C(Cn1ncnn1)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107172602 775852370 /nfs/dbraw/zinc/85/23/70/775852370.db2.gz BXBWYHXCHPXFPS-UHFFFAOYSA-N 1 1 323.336 -1.203 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107172976 775853150 /nfs/dbraw/zinc/85/31/50/775853150.db2.gz VGIKDWLIMQHXDK-SECBINFHSA-N 1 1 321.345 -2.182 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001107185466 775853510 /nfs/dbraw/zinc/85/35/10/775853510.db2.gz SDBFREQISOLUNO-UHFFFAOYSA-N 1 1 319.369 -1.052 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107191461 775855539 /nfs/dbraw/zinc/85/55/39/775855539.db2.gz WVLHEGIVHFCMHX-ZJUUUORDSA-N 1 1 324.385 -1.357 20 0 DAADMO COCCCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202274 775856425 /nfs/dbraw/zinc/85/64/25/775856425.db2.gz ZERFDGKUWZUQSL-UHFFFAOYSA-N 1 1 310.358 -1.337 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC(=O)NC3=O)nn2)C1 ZINC001107242625 775859352 /nfs/dbraw/zinc/85/93/52/775859352.db2.gz XAWLMMBWMAVLDB-VIFPVBQESA-N 1 1 320.353 -1.176 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779912 775863083 /nfs/dbraw/zinc/86/30/83/775863083.db2.gz SRHOTISEDNXAMC-STQMWFEESA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107582231 775866225 /nfs/dbraw/zinc/86/62/25/775866225.db2.gz YMYZIJMPMJXHQD-IAQYHMDHSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@H](CNc1nccn2nnnc12)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001107666607 775868358 /nfs/dbraw/zinc/86/83/58/775868358.db2.gz DDHMNHGFGFGQHP-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNc1nccn2nnnc12)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001107666607 775868366 /nfs/dbraw/zinc/86/83/66/775868366.db2.gz DDHMNHGFGFGQHP-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697068 775869489 /nfs/dbraw/zinc/86/94/89/775869489.db2.gz ZBEKBOUXBMVSAL-TZMCWYRMSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697068 775869497 /nfs/dbraw/zinc/86/94/97/775869497.db2.gz ZBEKBOUXBMVSAL-TZMCWYRMSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@]1(CNC(=O)CNC(N)=O)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107724272 775870551 /nfs/dbraw/zinc/87/05/51/775870551.db2.gz NOXJNWJXDJSABD-RISCZKNCSA-N 1 1 314.386 -1.102 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727661 775871242 /nfs/dbraw/zinc/87/12/42/775871242.db2.gz DVDXWVUNKXWXSC-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727661 775871252 /nfs/dbraw/zinc/87/12/52/775871252.db2.gz DVDXWVUNKXWXSC-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727900 775871352 /nfs/dbraw/zinc/87/13/52/775871352.db2.gz LLWCFSAGZCOUDX-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727900 775871356 /nfs/dbraw/zinc/87/13/56/775871356.db2.gz LLWCFSAGZCOUDX-WCQYABFASA-N 1 1 312.374 -1.085 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107773269 775873411 /nfs/dbraw/zinc/87/34/11/775873411.db2.gz KZGWEGBOAFHTPM-ZWNOBZJWSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107773269 775873424 /nfs/dbraw/zinc/87/34/24/775873424.db2.gz KZGWEGBOAFHTPM-ZWNOBZJWSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107773253 775873755 /nfs/dbraw/zinc/87/37/55/775873755.db2.gz KZGWEGBOAFHTPM-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107773253 775873758 /nfs/dbraw/zinc/87/37/58/775873758.db2.gz KZGWEGBOAFHTPM-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107773544 775873778 /nfs/dbraw/zinc/87/37/78/775873778.db2.gz NZGISRCSPNKZMM-ZDUSSCGKSA-N 1 1 303.359 -1.068 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107773544 775873785 /nfs/dbraw/zinc/87/37/85/775873785.db2.gz NZGISRCSPNKZMM-ZDUSSCGKSA-N 1 1 303.359 -1.068 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ncnn1C ZINC001127858867 775876397 /nfs/dbraw/zinc/87/63/97/775876397.db2.gz HDBKYSJSYDUBPH-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001127861694 775878106 /nfs/dbraw/zinc/87/81/06/775878106.db2.gz XJBZDSGDJLZXFN-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001107839523 775879065 /nfs/dbraw/zinc/87/90/65/775879065.db2.gz OYJVFJVAXKQIGF-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001107839523 775879077 /nfs/dbraw/zinc/87/90/77/775879077.db2.gz OYJVFJVAXKQIGF-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001107839526 775879092 /nfs/dbraw/zinc/87/90/92/775879092.db2.gz OYJVFJVAXKQIGF-TZMCWYRMSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001107839526 775879099 /nfs/dbraw/zinc/87/90/99/775879099.db2.gz OYJVFJVAXKQIGF-TZMCWYRMSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840021 775879256 /nfs/dbraw/zinc/87/92/56/775879256.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840021 775879268 /nfs/dbraw/zinc/87/92/68/775879268.db2.gz ZVXNDSNJKYOCFJ-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839783 775879404 /nfs/dbraw/zinc/87/94/04/775879404.db2.gz UVJWFQREJOPIAV-BXUZGUMPSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839783 775879416 /nfs/dbraw/zinc/87/94/16/775879416.db2.gz UVJWFQREJOPIAV-BXUZGUMPSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839786 775880166 /nfs/dbraw/zinc/88/01/66/775880166.db2.gz UVJWFQREJOPIAV-SMDDNHRTSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839786 775880173 /nfs/dbraw/zinc/88/01/73/775880173.db2.gz UVJWFQREJOPIAV-SMDDNHRTSA-N 1 1 314.386 -1.991 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cncn1 ZINC001089900834 775880486 /nfs/dbraw/zinc/88/04/86/775880486.db2.gz BQVFZAGNKGERPN-RNJOBUHISA-N 1 1 318.381 -1.068 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2)C[N@H+](CCO)CCO1 ZINC001107878828 775881035 /nfs/dbraw/zinc/88/10/35/775881035.db2.gz JMBJDENYMLBFGG-CQSZACIVSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2)C[N@@H+](CCO)CCO1 ZINC001107878828 775881041 /nfs/dbraw/zinc/88/10/41/775881041.db2.gz JMBJDENYMLBFGG-CQSZACIVSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879257 775881179 /nfs/dbraw/zinc/88/11/79/775881179.db2.gz VKRHGIUUESNQKM-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879257 775881192 /nfs/dbraw/zinc/88/11/92/775881192.db2.gz VKRHGIUUESNQKM-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2)C[N@H+](CCCO)CCO1 ZINC001107878833 775881689 /nfs/dbraw/zinc/88/16/89/775881689.db2.gz JPRCWRCMGNCPBK-HNNXBMFYSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2)C[N@@H+](CCCO)CCO1 ZINC001107878833 775881700 /nfs/dbraw/zinc/88/17/00/775881700.db2.gz JPRCWRCMGNCPBK-HNNXBMFYSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098836391 775883040 /nfs/dbraw/zinc/88/30/40/775883040.db2.gz CUILREPCYDDANJ-KWBADKCTSA-N 1 1 307.358 -1.482 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001107913388 775884769 /nfs/dbraw/zinc/88/47/69/775884769.db2.gz ZXAQTLLYWYIQJI-GWCFXTLKSA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001107913388 775884771 /nfs/dbraw/zinc/88/47/71/775884771.db2.gz ZXAQTLLYWYIQJI-GWCFXTLKSA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001107894893 775884776 /nfs/dbraw/zinc/88/47/76/775884776.db2.gz BYGKJZQGUOVGDK-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001107894893 775884778 /nfs/dbraw/zinc/88/47/78/775884778.db2.gz BYGKJZQGUOVGDK-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2COC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001107912666 775884945 /nfs/dbraw/zinc/88/49/45/775884945.db2.gz KFAXKYZLANSPGG-MFKMUULPSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2COC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001107912666 775884952 /nfs/dbraw/zinc/88/49/52/775884952.db2.gz KFAXKYZLANSPGG-MFKMUULPSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107895103 775885752 /nfs/dbraw/zinc/88/57/52/775885752.db2.gz GFYRNEZCFMEJSQ-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107895103 775885760 /nfs/dbraw/zinc/88/57/60/775885760.db2.gz GFYRNEZCFMEJSQ-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001107913390 775885928 /nfs/dbraw/zinc/88/59/28/775885928.db2.gz ZXAQTLLYWYIQJI-MFKMUULPSA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001107913390 775885938 /nfs/dbraw/zinc/88/59/38/775885938.db2.gz ZXAQTLLYWYIQJI-MFKMUULPSA-N 1 1 301.343 -1.052 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107920413 775887150 /nfs/dbraw/zinc/88/71/50/775887150.db2.gz SLFYIHGZYVHOIE-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107920413 775887157 /nfs/dbraw/zinc/88/71/57/775887157.db2.gz SLFYIHGZYVHOIE-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2CCNC2=O)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000997272873 775888101 /nfs/dbraw/zinc/88/81/01/775888101.db2.gz ADUOHDRWYILTNT-WBMJQRKESA-N 1 1 320.393 -1.065 20 0 DAADMO COCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107945676 775888307 /nfs/dbraw/zinc/88/83/07/775888307.db2.gz JVXDRDOZKBLUDN-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967948 775890484 /nfs/dbraw/zinc/89/04/84/775890484.db2.gz SFDVHNUNBYRZPO-SNVBAGLBSA-N 1 1 312.374 -1.345 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946208 775890600 /nfs/dbraw/zinc/89/06/00/775890600.db2.gz RIPCNEMFGPMVHR-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946208 775890601 /nfs/dbraw/zinc/89/06/01/775890601.db2.gz RIPCNEMFGPMVHR-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947436 775890658 /nfs/dbraw/zinc/89/06/58/775890658.db2.gz JSMMOQDFAKLVDM-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947436 775890661 /nfs/dbraw/zinc/89/06/61/775890661.db2.gz JSMMOQDFAKLVDM-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC)n1 ZINC001127966899 775892507 /nfs/dbraw/zinc/89/25/07/775892507.db2.gz GZAGPYBKJKIGOC-SNVBAGLBSA-N 1 1 312.374 -1.345 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001212359087 775894211 /nfs/dbraw/zinc/89/42/11/775894211.db2.gz KOUUTGNJRURRKG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](OC)C1 ZINC001212359017 775894514 /nfs/dbraw/zinc/89/45/14/775894514.db2.gz HBZXKFYQJJCLMH-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001212359050 775894975 /nfs/dbraw/zinc/89/49/75/775894975.db2.gz JHEQYOBLTBXRFV-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212373464 775896345 /nfs/dbraw/zinc/89/63/45/775896345.db2.gz PMFSUKVBWGEYQS-GMTAPVOTSA-N 1 1 318.374 -2.262 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1OC ZINC001212375780 775896695 /nfs/dbraw/zinc/89/66/95/775896695.db2.gz OAPLEFGRNFBXHT-QJPTWQEYSA-N 1 1 314.386 -1.233 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1OC ZINC001212373371 775896813 /nfs/dbraw/zinc/89/68/13/775896813.db2.gz JJPHONMTATWJSE-HBNTYKKESA-N 1 1 302.375 -1.234 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@H](OC)C1 ZINC001212370752 775896867 /nfs/dbraw/zinc/89/68/67/775896867.db2.gz SGUAIRHUAXKVIK-GHMZBOCLSA-N 1 1 302.375 -1.233 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC)nn1 ZINC001127999833 775898432 /nfs/dbraw/zinc/89/84/32/775898432.db2.gz YWEHHDTUHDQVEZ-SNVBAGLBSA-N 1 1 312.374 -1.345 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001127999359 775898950 /nfs/dbraw/zinc/89/89/50/775898950.db2.gz NWUVPHJBDPTSTB-ZJUUUORDSA-N 1 1 312.374 -1.267 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107979140 775902116 /nfs/dbraw/zinc/90/21/16/775902116.db2.gz AYFXTHNMATWURC-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107979140 775902121 /nfs/dbraw/zinc/90/21/21/775902121.db2.gz AYFXTHNMATWURC-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107984208 775903998 /nfs/dbraw/zinc/90/39/98/775903998.db2.gz WDDIEOZVGAPQII-AWEZNQCLSA-N 1 1 317.386 -1.662 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107984208 775904007 /nfs/dbraw/zinc/90/40/07/775904007.db2.gz WDDIEOZVGAPQII-AWEZNQCLSA-N 1 1 317.386 -1.662 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099608098 775904428 /nfs/dbraw/zinc/90/44/28/775904428.db2.gz WFTWEAYMWOGUNS-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099608098 775904434 /nfs/dbraw/zinc/90/44/34/775904434.db2.gz WFTWEAYMWOGUNS-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](CCOC)CCO1 ZINC001107982301 775904452 /nfs/dbraw/zinc/90/44/52/775904452.db2.gz TWBIMUBJHVMDEW-ZDUSSCGKSA-N 1 1 302.375 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](CCOC)CCO1 ZINC001107982301 775904462 /nfs/dbraw/zinc/90/44/62/775904462.db2.gz TWBIMUBJHVMDEW-ZDUSSCGKSA-N 1 1 302.375 -1.231 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611672 775905272 /nfs/dbraw/zinc/90/52/72/775905272.db2.gz VOXBEGKSKNNTCN-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001099611672 775905282 /nfs/dbraw/zinc/90/52/82/775905282.db2.gz VOXBEGKSKNNTCN-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1CCOCC1 ZINC001099610784 775905654 /nfs/dbraw/zinc/90/56/54/775905654.db2.gz LCEPDBFEVOUZGU-UONOGXRCSA-N 1 1 316.398 -1.027 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099613659 775905909 /nfs/dbraw/zinc/90/59/09/775905909.db2.gz LUSXILDYUYSMAB-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001099614503 775906515 /nfs/dbraw/zinc/90/65/15/775906515.db2.gz WFNDTPQPWMZFBU-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001099614503 775906518 /nfs/dbraw/zinc/90/65/18/775906518.db2.gz WFNDTPQPWMZFBU-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128048047 775908408 /nfs/dbraw/zinc/90/84/08/775908408.db2.gz KZXFTYZRIKWIHG-ZJUUUORDSA-N 1 1 324.385 -1.291 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001168625201 775908917 /nfs/dbraw/zinc/90/89/17/775908917.db2.gz XAQDFDCUPUIORL-UHFFFAOYSA-N 1 1 324.341 -1.220 20 0 DAADMO O=C(N[C@H]1CCc2nnc(C[NH2+]CCO)n2CC1)c1cnon1 ZINC001128048679 775909009 /nfs/dbraw/zinc/90/90/09/775909009.db2.gz OQWHPVYRPZTACB-VIFPVBQESA-N 1 1 321.341 -1.122 20 0 DAADMO COCC(=O)N[C@H]1CCN(c2cccc(C[NH2+]CC(N)=O)n2)C1 ZINC001128071059 775909215 /nfs/dbraw/zinc/90/92/15/775909215.db2.gz RQGONRMZGCCLKP-LBPRGKRZSA-N 1 1 321.381 -1.002 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001128104984 775915720 /nfs/dbraw/zinc/91/57/20/775915720.db2.gz QQAIZLRWALEYPN-UHFFFAOYSA-N 1 1 301.372 -1.452 20 0 DAADMO O=C(C[NH2+]CCNC(=O)C1CS(=O)(=O)C1)Nc1ccon1 ZINC001128105019 775916148 /nfs/dbraw/zinc/91/61/48/775916148.db2.gz RFRRGMSYNXUQSO-UHFFFAOYSA-N 1 1 316.339 -1.637 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)nn1C ZINC001128108343 775916574 /nfs/dbraw/zinc/91/65/74/775916574.db2.gz OAPXKAQBCQWCAL-UHFFFAOYSA-N 1 1 300.384 -1.021 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004886 775919856 /nfs/dbraw/zinc/91/98/56/775919856.db2.gz GTCYXXOOYLBANN-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004886 775919863 /nfs/dbraw/zinc/91/98/63/775919863.db2.gz GTCYXXOOYLBANN-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004885 775920421 /nfs/dbraw/zinc/92/04/21/775920421.db2.gz GTCYXXOOYLBANN-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108004885 775920429 /nfs/dbraw/zinc/92/04/29/775920429.db2.gz GTCYXXOOYLBANN-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001114960531 775922240 /nfs/dbraw/zinc/92/22/40/775922240.db2.gz TWBBRDCUWIJTAQ-OZWUEAAUSA-N 1 1 308.382 -1.162 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001114960531 775922247 /nfs/dbraw/zinc/92/22/47/775922247.db2.gz TWBBRDCUWIJTAQ-OZWUEAAUSA-N 1 1 308.382 -1.162 20 0 DAADMO NC(=O)C[NH2+]Cc1cccc(N2CC[C@H](NC(=O)C(N)=O)C2)n1 ZINC001128127258 775923564 /nfs/dbraw/zinc/92/35/64/775923564.db2.gz ZGQHQXUXTANNBA-JTQLQIEISA-N 1 1 320.353 -2.163 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099631356 775925437 /nfs/dbraw/zinc/92/54/37/775925437.db2.gz VVHIDSPOYSBGHG-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099631356 775925447 /nfs/dbraw/zinc/92/54/47/775925447.db2.gz VVHIDSPOYSBGHG-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001108032246 775926203 /nfs/dbraw/zinc/92/62/03/775926203.db2.gz ROPUOKUEZUEUDO-CQSZACIVSA-N 1 1 314.386 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001108032246 775926212 /nfs/dbraw/zinc/92/62/12/775926212.db2.gz ROPUOKUEZUEUDO-CQSZACIVSA-N 1 1 314.386 -1.534 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099635879 775926894 /nfs/dbraw/zinc/92/68/94/775926894.db2.gz IYKPWPSAOHKRCW-OLZOCXBDSA-N 1 1 309.370 -1.429 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001108036182 775927139 /nfs/dbraw/zinc/92/71/39/775927139.db2.gz MNJASBZDXHVKDH-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001108036182 775927150 /nfs/dbraw/zinc/92/71/50/775927150.db2.gz MNJASBZDXHVKDH-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)c1=O ZINC001108038473 775927640 /nfs/dbraw/zinc/92/76/40/775927640.db2.gz SXZYHENBIIXOAQ-ZDUSSCGKSA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)c1=O ZINC001108038473 775927648 /nfs/dbraw/zinc/92/76/48/775927648.db2.gz SXZYHENBIIXOAQ-ZDUSSCGKSA-N 1 1 313.358 -2.219 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccnnc1 ZINC001083804707 775929575 /nfs/dbraw/zinc/92/95/75/775929575.db2.gz SFQGVYWZFWSGTF-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccnnc1 ZINC001083804707 775929580 /nfs/dbraw/zinc/92/95/80/775929580.db2.gz SFQGVYWZFWSGTF-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099644649 775930117 /nfs/dbraw/zinc/93/01/17/775930117.db2.gz JCHDLQPQZQVTBA-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040003 775930608 /nfs/dbraw/zinc/93/06/08/775930608.db2.gz IOXPZTPSOZAMSL-ZANVPECISA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040003 775930621 /nfs/dbraw/zinc/93/06/21/775930621.db2.gz IOXPZTPSOZAMSL-ZANVPECISA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CC12CC2 ZINC001083808665 775931004 /nfs/dbraw/zinc/93/10/04/775931004.db2.gz PRMWRCGVGYSBPU-UTUOFQBUSA-N 1 1 308.382 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CC12CC2 ZINC001083808665 775931017 /nfs/dbraw/zinc/93/10/17/775931017.db2.gz PRMWRCGVGYSBPU-UTUOFQBUSA-N 1 1 308.382 -1.027 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)NCC(F)F)C[N@H+](CCO)CCO1 ZINC001108039725 775931403 /nfs/dbraw/zinc/93/14/03/775931403.db2.gz FMNPPLKEOARQNT-GFCCVEGCSA-N 1 1 309.313 -1.433 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)NCC(F)F)C[N@@H+](CCO)CCO1 ZINC001108039725 775931417 /nfs/dbraw/zinc/93/14/17/775931417.db2.gz FMNPPLKEOARQNT-GFCCVEGCSA-N 1 1 309.313 -1.433 20 0 DAADMO COC[C@H](O)CN1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108044022 775931857 /nfs/dbraw/zinc/93/18/57/775931857.db2.gz PPSGESJUQDXGIV-MFKMUULPSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)CN1CCO[C@@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108044020 775932997 /nfs/dbraw/zinc/93/29/97/775932997.db2.gz PPSGESJUQDXGIV-GWCFXTLKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)CN1CCO[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001108044023 775933120 /nfs/dbraw/zinc/93/31/20/775933120.db2.gz PPSGESJUQDXGIV-ZWNOBZJWSA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cccn3nnnc23)n1 ZINC001128200773 775935057 /nfs/dbraw/zinc/93/50/57/775935057.db2.gz ZBAGFENORJXJOO-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cccn2nnnc12)c1nnnn1C ZINC001128200728 775935187 /nfs/dbraw/zinc/93/51/87/775935187.db2.gz XHFIGZNTSHQNNF-QMMMGPOBSA-N 1 1 316.329 -1.272 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCc1ccnn1C ZINC001212451405 775935248 /nfs/dbraw/zinc/93/52/48/775935248.db2.gz XHZHYYKOJQGDHG-CHWSQXEVSA-N 1 1 312.370 -1.256 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128270068 775936759 /nfs/dbraw/zinc/93/67/59/775936759.db2.gz ZLBRYMDAZVFQRA-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)CNC(C)=O ZINC001212476882 775941114 /nfs/dbraw/zinc/94/11/14/775941114.db2.gz HTXSENDXLZOVHC-GHMZBOCLSA-N 1 1 316.358 -2.954 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1)N1CCOCC1 ZINC001089984176 775941949 /nfs/dbraw/zinc/94/19/49/775941949.db2.gz QJPFLBIEFRMSAN-ZJUUUORDSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1)N1CCOCC1 ZINC001089984176 775941958 /nfs/dbraw/zinc/94/19/58/775941958.db2.gz QJPFLBIEFRMSAN-ZJUUUORDSA-N 1 1 321.324 -1.338 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001089986755 775942477 /nfs/dbraw/zinc/94/24/77/775942477.db2.gz INZIEASQJLYEHP-QWRGUYRKSA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001089986755 775942488 /nfs/dbraw/zinc/94/24/88/775942488.db2.gz INZIEASQJLYEHP-QWRGUYRKSA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001089986754 775942700 /nfs/dbraw/zinc/94/27/00/775942700.db2.gz INZIEASQJLYEHP-MNOVXSKESA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001089986754 775942710 /nfs/dbraw/zinc/94/27/10/775942710.db2.gz INZIEASQJLYEHP-MNOVXSKESA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001089986756 775942794 /nfs/dbraw/zinc/94/27/94/775942794.db2.gz INZIEASQJLYEHP-WDEREUQCSA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001089986756 775942799 /nfs/dbraw/zinc/94/27/99/775942799.db2.gz INZIEASQJLYEHP-WDEREUQCSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089987172 775943542 /nfs/dbraw/zinc/94/35/42/775943542.db2.gz LZHXHCADCKHJJX-NEPJUHHUSA-N 1 1 324.381 -1.455 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089987172 775943549 /nfs/dbraw/zinc/94/35/49/775943549.db2.gz LZHXHCADCKHJJX-NEPJUHHUSA-N 1 1 324.381 -1.455 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001003046978 775944244 /nfs/dbraw/zinc/94/42/44/775944244.db2.gz HJVRHABVMWABBT-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212497701 775945047 /nfs/dbraw/zinc/94/50/47/775945047.db2.gz UJYYOGRFQNSAJQ-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212497701 775945052 /nfs/dbraw/zinc/94/50/52/775945052.db2.gz UJYYOGRFQNSAJQ-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089988250 775945070 /nfs/dbraw/zinc/94/50/70/775945070.db2.gz TYISMEZITUIZJA-VXGBXAGGSA-N 1 1 310.354 -1.845 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089988250 775945075 /nfs/dbraw/zinc/94/50/75/775945075.db2.gz TYISMEZITUIZJA-VXGBXAGGSA-N 1 1 310.354 -1.845 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032833912 775945434 /nfs/dbraw/zinc/94/54/34/775945434.db2.gz NSRSYIYZNNFBFQ-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032833912 775945447 /nfs/dbraw/zinc/94/54/47/775945447.db2.gz NSRSYIYZNNFBFQ-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089988244 775945509 /nfs/dbraw/zinc/94/55/09/775945509.db2.gz TYISMEZITUIZJA-NWDGAFQWSA-N 1 1 310.354 -1.845 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089988244 775945520 /nfs/dbraw/zinc/94/55/20/775945520.db2.gz TYISMEZITUIZJA-NWDGAFQWSA-N 1 1 310.354 -1.845 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032833903 775945755 /nfs/dbraw/zinc/94/57/55/775945755.db2.gz KUFYBVKJCCIIAF-AXFHLTTASA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032833903 775945763 /nfs/dbraw/zinc/94/57/63/775945763.db2.gz KUFYBVKJCCIIAF-AXFHLTTASA-N 1 1 309.370 -1.392 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001089992639 775947499 /nfs/dbraw/zinc/94/74/99/775947499.db2.gz HFFZFQKAIYONJK-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090031699 775953087 /nfs/dbraw/zinc/95/30/87/775953087.db2.gz OYNHFXGYEIOIIJ-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC001090031699 775953098 /nfs/dbraw/zinc/95/30/98/775953098.db2.gz OYNHFXGYEIOIIJ-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)C1=COCCO1 ZINC001090032873 775953159 /nfs/dbraw/zinc/95/31/59/775953159.db2.gz USXXDWCUZNDYPU-VXGBXAGGSA-N 1 1 323.353 -1.282 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC001090029176 775953688 /nfs/dbraw/zinc/95/36/88/775953688.db2.gz FAVKPOVFIPBQPB-WCQYABFASA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030815 775954246 /nfs/dbraw/zinc/95/42/46/775954246.db2.gz MHMRAYGBJSMODZ-MNOVXSKESA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001090030815 775954255 /nfs/dbraw/zinc/95/42/55/775954255.db2.gz MHMRAYGBJSMODZ-MNOVXSKESA-N 1 1 313.354 -1.486 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820479 775955244 /nfs/dbraw/zinc/95/52/44/775955244.db2.gz OWFWAOWRJNVETN-YIZRAAEISA-N 1 1 300.315 -2.872 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820429 775956839 /nfs/dbraw/zinc/95/68/39/775956839.db2.gz MBSWCBZQWMVODZ-YIZRAAEISA-N 1 1 302.306 -1.895 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC001090039684 775956863 /nfs/dbraw/zinc/95/68/63/775956863.db2.gz XGBKVFATADHDRZ-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC001090039684 775956872 /nfs/dbraw/zinc/95/68/72/775956872.db2.gz XGBKVFATADHDRZ-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055577 775957579 /nfs/dbraw/zinc/95/75/79/775957579.db2.gz VIXWWDPXWCTXRK-QWRGUYRKSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055577 775957586 /nfs/dbraw/zinc/95/75/86/775957586.db2.gz VIXWWDPXWCTXRK-QWRGUYRKSA-N 1 1 321.341 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055210 775957798 /nfs/dbraw/zinc/95/77/98/775957798.db2.gz PPQPMPQXDNZMNB-ZJUUUORDSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055210 775957814 /nfs/dbraw/zinc/95/78/14/775957814.db2.gz PPQPMPQXDNZMNB-ZJUUUORDSA-N 1 1 311.346 -2.687 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054449 775957850 /nfs/dbraw/zinc/95/78/50/775957850.db2.gz JPMUQXFCNAQULY-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054449 775957861 /nfs/dbraw/zinc/95/78/61/775957861.db2.gz JPMUQXFCNAQULY-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054066 775958019 /nfs/dbraw/zinc/95/80/19/775958019.db2.gz HBWYVPNIMWFJAO-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054066 775958030 /nfs/dbraw/zinc/95/80/30/775958030.db2.gz HBWYVPNIMWFJAO-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)o1 ZINC001090055625 775958866 /nfs/dbraw/zinc/95/88/66/775958866.db2.gz WAFAAEUFENLGBB-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)o1 ZINC001090055625 775958873 /nfs/dbraw/zinc/95/88/73/775958873.db2.gz WAFAAEUFENLGBB-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054450 775959022 /nfs/dbraw/zinc/95/90/22/775959022.db2.gz JPMUQXFCNAQULY-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054450 775959029 /nfs/dbraw/zinc/95/90/29/775959029.db2.gz JPMUQXFCNAQULY-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090055200 775959085 /nfs/dbraw/zinc/95/90/85/775959085.db2.gz PNEQANHCNXHESP-QWRGUYRKSA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090055199 775959120 /nfs/dbraw/zinc/95/91/20/775959120.db2.gz PNEQANHCNXHESP-MNOVXSKESA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001090053930 775959498 /nfs/dbraw/zinc/95/94/98/775959498.db2.gz GFZPSBVWTSLXMF-ATMFLTRRSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C/C=C\Cl)C[C@H]1O ZINC001090053930 775959510 /nfs/dbraw/zinc/95/95/10/775959510.db2.gz GFZPSBVWTSLXMF-ATMFLTRRSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001090055681 775960442 /nfs/dbraw/zinc/96/04/42/775960442.db2.gz XDPOFWRIMNGGQD-QWRGUYRKSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001090055681 775960452 /nfs/dbraw/zinc/96/04/52/775960452.db2.gz XDPOFWRIMNGGQD-QWRGUYRKSA-N 1 1 323.382 -1.119 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001090059212 775963000 /nfs/dbraw/zinc/96/30/00/775963000.db2.gz FDZXFAZUAFBNEY-STQMWFEESA-N 1 1 319.369 -1.123 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099652043 775963197 /nfs/dbraw/zinc/96/31/97/775963197.db2.gz XNXSKKIAAASNSL-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099651599 775963591 /nfs/dbraw/zinc/96/35/91/775963591.db2.gz VUHBSOKBCKAGSU-VHSXEESVSA-N 1 1 311.346 -2.502 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC001090061850 775964707 /nfs/dbraw/zinc/96/47/07/775964707.db2.gz TYSJNEYXKUGWOB-QWHCGFSZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC001090061850 775964715 /nfs/dbraw/zinc/96/47/15/775964715.db2.gz TYSJNEYXKUGWOB-QWHCGFSZSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090072823 775964966 /nfs/dbraw/zinc/96/49/66/775964966.db2.gz MGANQHVFLKTRQP-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090072823 775964971 /nfs/dbraw/zinc/96/49/71/775964971.db2.gz MGANQHVFLKTRQP-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090062478 775965569 /nfs/dbraw/zinc/96/55/69/775965569.db2.gz YWESMQTUIUOSKT-NEPJUHHUSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090062478 775965577 /nfs/dbraw/zinc/96/55/77/775965577.db2.gz YWESMQTUIUOSKT-NEPJUHHUSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090062480 775966074 /nfs/dbraw/zinc/96/60/74/775966074.db2.gz YWESMQTUIUOSKT-RYUDHWBXSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001090062480 775966080 /nfs/dbraw/zinc/96/60/80/775966080.db2.gz YWESMQTUIUOSKT-RYUDHWBXSA-N 1 1 309.370 -1.327 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095764 775970150 /nfs/dbraw/zinc/97/01/50/775970150.db2.gz DXHQCINXFQMPCA-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095815 775970530 /nfs/dbraw/zinc/97/05/30/775970530.db2.gz GBXSUNAUYXJRLL-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083829374 775970656 /nfs/dbraw/zinc/97/06/56/775970656.db2.gz LZGIUJBBHSWCLP-BDAKNGLRSA-N 1 1 312.326 -2.023 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)n(C)c1=O ZINC001083828455 775970770 /nfs/dbraw/zinc/97/07/70/775970770.db2.gz TZVCOYFISPYPPQ-ZJUUUORDSA-N 1 1 312.326 -3.149 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168732213 775971263 /nfs/dbraw/zinc/97/12/63/775971263.db2.gz ZNZVCZYYXWPJJK-GHMZBOCLSA-N 1 1 315.374 -1.073 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168732213 775971274 /nfs/dbraw/zinc/97/12/74/775971274.db2.gz ZNZVCZYYXWPJJK-GHMZBOCLSA-N 1 1 315.374 -1.073 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095732 775971579 /nfs/dbraw/zinc/97/15/79/775971579.db2.gz DHXMTAWWAODPOU-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095732 775971584 /nfs/dbraw/zinc/97/15/84/775971584.db2.gz DHXMTAWWAODPOU-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095592 775971924 /nfs/dbraw/zinc/97/19/24/775971924.db2.gz BMRRXTLUVOISOH-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083829932 775972473 /nfs/dbraw/zinc/97/24/73/775972473.db2.gz NZLZLVGAZAVLRH-KOLCDFICSA-N 1 1 322.325 -2.955 20 0 DAADMO C[C@]1(CNC(=O)c2ccc3nnnn3c2)C[N@H+](CCO)CCO1 ZINC001108069265 775973195 /nfs/dbraw/zinc/97/31/95/775973195.db2.gz BOKQMJXKXWHHOC-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO C[C@]1(CNC(=O)c2ccc3nnnn3c2)C[N@@H+](CCO)CCO1 ZINC001108069265 775973204 /nfs/dbraw/zinc/97/32/04/775973204.db2.gz BOKQMJXKXWHHOC-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083832807 775973798 /nfs/dbraw/zinc/97/37/98/775973798.db2.gz WAUIPRMHUDRGSZ-UPJWGTAASA-N 1 1 312.414 -1.104 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](O)C1 ZINC001083829885 775974074 /nfs/dbraw/zinc/97/40/74/775974074.db2.gz LTKMEZUDYXMPEE-KOLCDFICSA-N 1 1 306.326 -1.928 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccn[nH]1 ZINC001090101124 775974098 /nfs/dbraw/zinc/97/40/98/775974098.db2.gz VRHYLRLGUCNMHJ-CMPLNLGQSA-N 1 1 305.342 -1.134 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC001090103483 775975253 /nfs/dbraw/zinc/97/52/53/775975253.db2.gz JTWJFRHUCQOZLJ-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC001090103483 775975263 /nfs/dbraw/zinc/97/52/63/775975263.db2.gz JTWJFRHUCQOZLJ-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083845324 775980402 /nfs/dbraw/zinc/98/04/02/775980402.db2.gz UTLGXDSVLUUCGW-MNOVXSKESA-N 1 1 312.374 -1.660 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 ZINC001083845242 775980498 /nfs/dbraw/zinc/98/04/98/775980498.db2.gz QHCLQHAGPRWERK-MNOVXSKESA-N 1 1 312.374 -1.396 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168740019 775981311 /nfs/dbraw/zinc/98/13/11/775981311.db2.gz XFZVUEVJPCREOC-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168740019 775981319 /nfs/dbraw/zinc/98/13/19/775981319.db2.gz XFZVUEVJPCREOC-UHFFFAOYSA-N 1 1 304.376 -1.547 20 0 DAADMO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1ncn[nH]1 ZINC001168738568 775981516 /nfs/dbraw/zinc/98/15/16/775981516.db2.gz GLDVAXIZGWHTIL-UHFFFAOYSA-N 1 1 309.330 -1.544 20 0 DAADMO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1nc[nH]n1 ZINC001168738568 775981522 /nfs/dbraw/zinc/98/15/22/775981522.db2.gz GLDVAXIZGWHTIL-UHFFFAOYSA-N 1 1 309.330 -1.544 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001090107994 775981553 /nfs/dbraw/zinc/98/15/53/775981553.db2.gz LQXKIDJIMANJTJ-VXGBXAGGSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001168739337 775981619 /nfs/dbraw/zinc/98/16/19/775981619.db2.gz NQWRARZXLQQJMV-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001168739337 775981622 /nfs/dbraw/zinc/98/16/22/775981622.db2.gz NQWRARZXLQQJMV-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c1 ZINC001090106866 775981790 /nfs/dbraw/zinc/98/17/90/775981790.db2.gz FWCOHOHKDCGGMZ-VXGBXAGGSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnsn1 ZINC001090107962 775982847 /nfs/dbraw/zinc/98/28/47/775982847.db2.gz LLOGFDPQASJTPI-GXSJLCMTSA-N 1 1 323.382 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnns1 ZINC001090112583 775984186 /nfs/dbraw/zinc/98/41/86/775984186.db2.gz QTUGEGIOIZSWEH-ZJUUUORDSA-N 1 1 323.382 -1.005 20 0 DAADMO CC(C)COCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665278 775986659 /nfs/dbraw/zinc/98/66/59/775986659.db2.gz DONAAYOXWDFDFT-VXGBXAGGSA-N 1 1 316.402 -1.121 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001099666216 775987181 /nfs/dbraw/zinc/98/71/81/775987181.db2.gz RSSXMHCMWPDTTQ-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)on1 ZINC001099666216 775987188 /nfs/dbraw/zinc/98/71/88/775987188.db2.gz RSSXMHCMWPDTTQ-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083850956 775987378 /nfs/dbraw/zinc/98/73/78/775987378.db2.gz DTFAWYJRKFNAPX-NEPJUHHUSA-N 1 1 324.385 -1.250 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001099666552 775987838 /nfs/dbraw/zinc/98/78/38/775987838.db2.gz YFQXAKQQCYRAOQ-NWDGAFQWSA-N 1 1 314.386 -1.225 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098413 775988807 /nfs/dbraw/zinc/98/88/07/775988807.db2.gz SITRTNRHHMBSLW-LLVKDONJSA-N 1 1 308.404 -1.733 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098413 775988813 /nfs/dbraw/zinc/98/88/13/775988813.db2.gz SITRTNRHHMBSLW-LLVKDONJSA-N 1 1 308.404 -1.733 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090129039 775989146 /nfs/dbraw/zinc/98/91/46/775989146.db2.gz KFRNGVHVDCCYAG-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090129039 775989152 /nfs/dbraw/zinc/98/91/52/775989152.db2.gz KFRNGVHVDCCYAG-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC001090131450 775990434 /nfs/dbraw/zinc/99/04/34/775990434.db2.gz ZVWNOGQLNOJAMT-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC001090131450 775990440 /nfs/dbraw/zinc/99/04/40/775990440.db2.gz ZVWNOGQLNOJAMT-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)S1(=O)=O ZINC001083853121 775991128 /nfs/dbraw/zinc/99/11/28/775991128.db2.gz CVVYUPBLHRKVJF-OUAUKWLOSA-N 1 1 321.399 -2.436 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)S1(=O)=O ZINC001083853121 775991137 /nfs/dbraw/zinc/99/11/37/775991137.db2.gz CVVYUPBLHRKVJF-OUAUKWLOSA-N 1 1 321.399 -2.436 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853107 775991217 /nfs/dbraw/zinc/99/12/17/775991217.db2.gz CLDPIHLOIIJMEJ-VWYCJHECSA-N 1 1 305.400 -1.410 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC001090131456 775991393 /nfs/dbraw/zinc/99/13/93/775991393.db2.gz ZVWNOGQLNOJAMT-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC001090131456 775991401 /nfs/dbraw/zinc/99/14/01/775991401.db2.gz ZVWNOGQLNOJAMT-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001128600657 775992688 /nfs/dbraw/zinc/99/26/88/775992688.db2.gz DBXRJQWVEXBEAJ-MRVPVSSYSA-N 1 1 318.403 -1.181 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001128594975 775994903 /nfs/dbraw/zinc/99/49/03/775994903.db2.gz OFZGDTUKDLLXDA-SECBINFHSA-N 1 1 318.403 -1.479 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1)C(F)F ZINC001128608204 775996335 /nfs/dbraw/zinc/99/63/35/775996335.db2.gz VKQNSSNGSHVZFL-ZJUUUORDSA-N 1 1 319.312 -1.106 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1)C(F)F ZINC001128608204 775996343 /nfs/dbraw/zinc/99/63/43/775996343.db2.gz VKQNSSNGSHVZFL-ZJUUUORDSA-N 1 1 319.312 -1.106 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001128603195 775996528 /nfs/dbraw/zinc/99/65/28/775996528.db2.gz BWKQMZIADIAYRH-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1cnns1)S(C)(=O)=O ZINC001128603260 775996878 /nfs/dbraw/zinc/99/68/78/775996878.db2.gz DODCAMGDPOBQNO-UHFFFAOYSA-N 1 1 307.401 -1.365 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCNS(C)(=O)=O)c1nncn1C ZINC001128608918 775997199 /nfs/dbraw/zinc/99/71/99/775997199.db2.gz GIPJLEMJAHPJCZ-VIFPVBQESA-N 1 1 318.403 -1.479 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090136981 775998404 /nfs/dbraw/zinc/99/84/04/775998404.db2.gz KCQDSFITRLMAHH-VHSXEESVSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@H](O)C1 ZINC001090136981 775998414 /nfs/dbraw/zinc/99/84/14/775998414.db2.gz KCQDSFITRLMAHH-VHSXEESVSA-N 1 1 322.369 -1.688 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001128618981 776000676 /nfs/dbraw/zinc/00/06/76/776000676.db2.gz ILZCWAXIWHRUAW-SECBINFHSA-N 1 1 313.362 -1.918 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001128618982 776001531 /nfs/dbraw/zinc/00/15/31/776001531.db2.gz ILZCWAXIWHRUAW-VIFPVBQESA-N 1 1 313.362 -1.918 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001128633128 776002752 /nfs/dbraw/zinc/00/27/52/776002752.db2.gz MMLVWQCYVGYUQH-UWVGGRQHSA-N 1 1 309.374 -1.422 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128646855 776003087 /nfs/dbraw/zinc/00/30/87/776003087.db2.gz ICIBWERZITVSPB-WCQGTBRESA-N 1 1 310.358 -1.864 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC1=O ZINC001128651396 776005287 /nfs/dbraw/zinc/00/52/87/776005287.db2.gz VBERUVYNUHDNIS-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128652966 776005844 /nfs/dbraw/zinc/00/58/44/776005844.db2.gz SXCBVCOSSHUCEY-RTXFEEFZSA-N 1 1 324.385 -1.473 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128672084 776006808 /nfs/dbraw/zinc/00/68/08/776006808.db2.gz FXAUONMAMPVPMJ-SNVBAGLBSA-N 1 1 309.374 -1.233 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CC1=O ZINC001128665817 776006902 /nfs/dbraw/zinc/00/69/02/776006902.db2.gz UMBBDCWGTMCWDD-VIFPVBQESA-N 1 1 307.358 -1.308 20 0 DAADMO COCC(=O)NCCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001128691017 776008866 /nfs/dbraw/zinc/00/88/66/776008866.db2.gz BTAREVVEUCICHF-SNVBAGLBSA-N 1 1 312.374 -1.265 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CC2(C1)NC(=O)NC2=O ZINC001083854452 776009350 /nfs/dbraw/zinc/00/93/50/776009350.db2.gz SOJMVDZWOTWRQH-WWALYXLFSA-N 1 1 322.365 -1.454 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CCNC(=O)COC)n1 ZINC001128685858 776009464 /nfs/dbraw/zinc/00/94/64/776009464.db2.gz HJHCSAKNXTVERS-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cocn1 ZINC001090141454 776011302 /nfs/dbraw/zinc/01/13/02/776011302.db2.gz MVIYPJMKSURTDP-CMPLNLGQSA-N 1 1 323.353 -1.135 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001128720432 776011642 /nfs/dbraw/zinc/01/16/42/776011642.db2.gz MRNDWSYCVCLHPV-IUCAKERBSA-N 1 1 323.357 -1.486 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@@H](O)C1 ZINC001083854960 776011662 /nfs/dbraw/zinc/01/16/62/776011662.db2.gz PCLZFQFVNAQXKV-WWALYXLFSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001083857147 776014729 /nfs/dbraw/zinc/01/47/29/776014729.db2.gz HXQNPYSOJTWUAN-ZJUUUORDSA-N 1 1 307.310 -1.798 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083855901 776014890 /nfs/dbraw/zinc/01/48/90/776014890.db2.gz GRPAZHCSDNWLCU-UTUOFQBUSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083855901 776014898 /nfs/dbraw/zinc/01/48/98/776014898.db2.gz GRPAZHCSDNWLCU-UTUOFQBUSA-N 1 1 322.369 -1.892 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 ZINC001083857335 776014925 /nfs/dbraw/zinc/01/49/25/776014925.db2.gz QEUHZSCGJRFVFZ-JLLWLGSASA-N 1 1 305.338 -1.115 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128752159 776014946 /nfs/dbraw/zinc/01/49/46/776014946.db2.gz FMYAQYQULAJKIY-ZJUUUORDSA-N 1 1 312.330 -2.032 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128752159 776014954 /nfs/dbraw/zinc/01/49/54/776014954.db2.gz FMYAQYQULAJKIY-ZJUUUORDSA-N 1 1 312.330 -2.032 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083855900 776015291 /nfs/dbraw/zinc/01/52/91/776015291.db2.gz GRPAZHCSDNWLCU-TUAOUCFPSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083855900 776015296 /nfs/dbraw/zinc/01/52/96/776015296.db2.gz GRPAZHCSDNWLCU-TUAOUCFPSA-N 1 1 322.369 -1.892 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083856543 776016019 /nfs/dbraw/zinc/01/60/19/776016019.db2.gz FQJHMYAITAOPGU-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083856543 776016027 /nfs/dbraw/zinc/01/60/27/776016027.db2.gz FQJHMYAITAOPGU-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763484 776017727 /nfs/dbraw/zinc/01/77/27/776017727.db2.gz AXHZXYFQPMNKEI-UHFFFAOYSA-N 1 1 322.329 -3.024 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2ccon2)c1=O ZINC001128764288 776018005 /nfs/dbraw/zinc/01/80/05/776018005.db2.gz WVVJWLRYPKLNSY-UHFFFAOYSA-N 1 1 307.310 -1.559 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099671504 776018567 /nfs/dbraw/zinc/01/85/67/776018567.db2.gz JJVSKBRBNPUUEX-WDEREUQCSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099671504 776018572 /nfs/dbraw/zinc/01/85/72/776018572.db2.gz JJVSKBRBNPUUEX-WDEREUQCSA-N 1 1 307.416 -1.257 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090148914 776018929 /nfs/dbraw/zinc/01/89/29/776018929.db2.gz KFXGFPWSKJJBPF-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090148914 776018939 /nfs/dbraw/zinc/01/89/39/776018939.db2.gz KFXGFPWSKJJBPF-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090152128 776019013 /nfs/dbraw/zinc/01/90/13/776019013.db2.gz VBNAXPIDFVNWIV-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090152128 776019025 /nfs/dbraw/zinc/01/90/25/776019025.db2.gz VBNAXPIDFVNWIV-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090152124 776019286 /nfs/dbraw/zinc/01/92/86/776019286.db2.gz VBNAXPIDFVNWIV-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H](O)C1 ZINC001090152124 776019292 /nfs/dbraw/zinc/01/92/92/776019292.db2.gz VBNAXPIDFVNWIV-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157482 776019385 /nfs/dbraw/zinc/01/93/85/776019385.db2.gz ARTWNFQJMBFCGB-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001090157482 776019390 /nfs/dbraw/zinc/01/93/90/776019390.db2.gz ARTWNFQJMBFCGB-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090153962 776019981 /nfs/dbraw/zinc/01/99/81/776019981.db2.gz CAVIALLNVMCVRJ-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090153962 776019993 /nfs/dbraw/zinc/01/99/93/776019993.db2.gz CAVIALLNVMCVRJ-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090152122 776020020 /nfs/dbraw/zinc/02/00/20/776020020.db2.gz VBNAXPIDFVNWIV-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC001090152122 776020030 /nfs/dbraw/zinc/02/00/30/776020030.db2.gz VBNAXPIDFVNWIV-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858915 776020702 /nfs/dbraw/zinc/02/07/02/776020702.db2.gz YHKVRSCPONGONB-IEBDPFPHSA-N 1 1 313.354 -1.765 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001128789877 776021726 /nfs/dbraw/zinc/02/17/26/776021726.db2.gz NNGGHCNHMRIFJN-UHFFFAOYSA-N 1 1 301.326 -1.618 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128794241 776023670 /nfs/dbraw/zinc/02/36/70/776023670.db2.gz MQJOJOPCCXFQJU-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128794241 776023677 /nfs/dbraw/zinc/02/36/77/776023677.db2.gz MQJOJOPCCXFQJU-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)CNC(=O)NC ZINC001128795013 776024531 /nfs/dbraw/zinc/02/45/31/776024531.db2.gz FXMZXVIMQXBBPP-UHFFFAOYSA-N 1 1 312.378 -1.392 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090187959 776028342 /nfs/dbraw/zinc/02/83/42/776028342.db2.gz BQGQGAWKAUABNW-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC001090187959 776028353 /nfs/dbraw/zinc/02/83/53/776028353.db2.gz BQGQGAWKAUABNW-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1)OC ZINC001128861133 776029184 /nfs/dbraw/zinc/02/91/84/776029184.db2.gz UXZYXLVMKQOKHR-TUAOUCFPSA-N 1 1 324.385 -1.080 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860681 776029634 /nfs/dbraw/zinc/02/96/34/776029634.db2.gz KRSNWYRRUNOXNO-MNOVXSKESA-N 1 1 310.358 -1.469 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001090197994 776031413 /nfs/dbraw/zinc/03/14/13/776031413.db2.gz SJWMFLBWQQTVJF-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119296 776031665 /nfs/dbraw/zinc/03/16/65/776031665.db2.gz KUEQPYKWHZPUAD-SMDDNHRTSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119296 776031671 /nfs/dbraw/zinc/03/16/71/776031671.db2.gz KUEQPYKWHZPUAD-SMDDNHRTSA-N 1 1 314.386 -1.137 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)NC1=O ZINC001108120013 776032069 /nfs/dbraw/zinc/03/20/69/776032069.db2.gz VJMOGMNLJMPHNT-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)NC1=O ZINC001108120013 776032074 /nfs/dbraw/zinc/03/20/74/776032074.db2.gz VJMOGMNLJMPHNT-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128883678 776032213 /nfs/dbraw/zinc/03/22/13/776032213.db2.gz NYMALTVRECGETI-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128883678 776032218 /nfs/dbraw/zinc/03/22/18/776032218.db2.gz NYMALTVRECGETI-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128870678 776032746 /nfs/dbraw/zinc/03/27/46/776032746.db2.gz WRTWQTDHCJYTOZ-MNOVXSKESA-N 1 1 310.358 -1.469 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128907924 776033993 /nfs/dbraw/zinc/03/39/93/776033993.db2.gz LCATWIRKXXSKFB-UTUOFQBUSA-N 1 1 324.385 -1.473 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128907923 776035103 /nfs/dbraw/zinc/03/51/03/776035103.db2.gz LCATWIRKXXSKFB-TUAOUCFPSA-N 1 1 324.385 -1.473 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128945033 776036861 /nfs/dbraw/zinc/03/68/61/776036861.db2.gz OXXWSBDGPNEKMY-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213324 776037189 /nfs/dbraw/zinc/03/71/89/776037189.db2.gz IRQIYIZNCZTPLW-CHWSQXEVSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213324 776037196 /nfs/dbraw/zinc/03/71/96/776037196.db2.gz IRQIYIZNCZTPLW-CHWSQXEVSA-N 1 1 311.382 -1.027 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC001090216115 776038023 /nfs/dbraw/zinc/03/80/23/776038023.db2.gz LJHOXMGVFLYEJM-QWHCGFSZSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC001090216115 776038028 /nfs/dbraw/zinc/03/80/28/776038028.db2.gz LJHOXMGVFLYEJM-QWHCGFSZSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213347 776038209 /nfs/dbraw/zinc/03/82/09/776038209.db2.gz IRQIYIZNCZTPLW-OLZOCXBDSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001090213347 776038217 /nfs/dbraw/zinc/03/82/17/776038217.db2.gz IRQIYIZNCZTPLW-OLZOCXBDSA-N 1 1 311.382 -1.027 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128962579 776038730 /nfs/dbraw/zinc/03/87/30/776038730.db2.gz WFLAEKLBADOAJA-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128962579 776038738 /nfs/dbraw/zinc/03/87/38/776038738.db2.gz WFLAEKLBADOAJA-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001045496576 776041184 /nfs/dbraw/zinc/04/11/84/776041184.db2.gz HUSJKRWEQIGRMO-ZDUSSCGKSA-N 1 1 310.354 -2.353 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090228754 776043231 /nfs/dbraw/zinc/04/32/31/776043231.db2.gz UBKWPBQIWXQKNN-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090228754 776043234 /nfs/dbraw/zinc/04/32/34/776043234.db2.gz UBKWPBQIWXQKNN-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ncc[nH]1 ZINC001090238174 776043433 /nfs/dbraw/zinc/04/34/33/776043433.db2.gz VFOJWUIJXGOTOA-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090228756 776043461 /nfs/dbraw/zinc/04/34/61/776043461.db2.gz UBKWPBQIWXQKNN-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090228756 776043467 /nfs/dbraw/zinc/04/34/67/776043467.db2.gz UBKWPBQIWXQKNN-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001090228879 776043773 /nfs/dbraw/zinc/04/37/73/776043773.db2.gz ULQRWSYEOVKLGE-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@H](O)C1 ZINC001090228879 776043776 /nfs/dbraw/zinc/04/37/76/776043776.db2.gz ULQRWSYEOVKLGE-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001090240644 776045345 /nfs/dbraw/zinc/04/53/45/776045345.db2.gz MCFLMQLIRQUMGI-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090238594 776045514 /nfs/dbraw/zinc/04/55/14/776045514.db2.gz ZAUXQVPKIYVPHQ-JQWIXIFHSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001090242206 776045680 /nfs/dbraw/zinc/04/56/80/776045680.db2.gz WJFDLJXMXNTKNZ-CMPLNLGQSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001090240642 776045732 /nfs/dbraw/zinc/04/57/32/776045732.db2.gz MCFLMQLIRQUMGI-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090244810 776047274 /nfs/dbraw/zinc/04/72/74/776047274.db2.gz VKOXBFDZYFLBMI-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090244810 776047277 /nfs/dbraw/zinc/04/72/77/776047277.db2.gz VKOXBFDZYFLBMI-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090250058 776048485 /nfs/dbraw/zinc/04/84/85/776048485.db2.gz VUWSYGWWEXWRPH-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090250058 776048491 /nfs/dbraw/zinc/04/84/91/776048491.db2.gz VUWSYGWWEXWRPH-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC001090249192 776048642 /nfs/dbraw/zinc/04/86/42/776048642.db2.gz MVSRKSOPYIKKBC-GHMZBOCLSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC001090249192 776048649 /nfs/dbraw/zinc/04/86/49/776048649.db2.gz MVSRKSOPYIKKBC-GHMZBOCLSA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864353 776048902 /nfs/dbraw/zinc/04/89/02/776048902.db2.gz LKDBLQCAWFBPDI-XQQFMLRXSA-N 1 1 315.414 -1.361 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090250060 776049014 /nfs/dbraw/zinc/04/90/14/776049014.db2.gz VUWSYGWWEXWRPH-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090250060 776049022 /nfs/dbraw/zinc/04/90/22/776049022.db2.gz VUWSYGWWEXWRPH-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)C1CCN(c2ccc(-n3[nH]c(=O)nc3C[NH3+])nn2)CC1 ZINC001168757148 776049189 /nfs/dbraw/zinc/04/91/89/776049189.db2.gz ZABLBRHASBMPMV-UHFFFAOYSA-N 1 1 318.341 -1.077 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129010017 776049849 /nfs/dbraw/zinc/04/98/49/776049849.db2.gz ZIGSOPFLDRXHIA-TUAOUCFPSA-N 1 1 324.385 -1.209 20 0 DAADMO O=C(COCC1CC1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099683616 776050122 /nfs/dbraw/zinc/05/01/22/776050122.db2.gz GBKHZENJDGMPCW-UONOGXRCSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099683615 776050291 /nfs/dbraw/zinc/05/02/91/776050291.db2.gz GBKHZENJDGMPCW-KGLIPLIRSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090255365 776051015 /nfs/dbraw/zinc/05/10/15/776051015.db2.gz FCHGBDODONXCCW-JQWIXIFHSA-N 1 1 313.358 -1.918 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129220346 776054281 /nfs/dbraw/zinc/05/42/81/776054281.db2.gz VSPKCFMZVWZXFQ-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129220346 776054284 /nfs/dbraw/zinc/05/42/84/776054284.db2.gz VSPKCFMZVWZXFQ-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869331 776055904 /nfs/dbraw/zinc/05/59/04/776055904.db2.gz ZKWROYRFUBHAOF-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869271 776055949 /nfs/dbraw/zinc/05/59/49/776055949.db2.gz WQUXQIHJVXMIGE-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083869078 776056118 /nfs/dbraw/zinc/05/61/18/776056118.db2.gz MMEVQVBGLNPQAO-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868853 776056196 /nfs/dbraw/zinc/05/61/96/776056196.db2.gz AYQQRUFLYUOOTC-BBBLOLIVSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1)c1nnnn1C ZINC001129254638 776057177 /nfs/dbraw/zinc/05/71/77/776057177.db2.gz BPLZPQVWJFLWPZ-UWVGGRQHSA-N 1 1 309.374 -1.107 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001090263112 776057473 /nfs/dbraw/zinc/05/74/73/776057473.db2.gz BTEHYKORWJLZFH-OLZOCXBDSA-N 1 1 309.366 -1.300 20 0 DAADMO CS(=O)(=O)CCn1cc(-n2[nH]c(=O)nc2C[NH3+])ccc1=O ZINC001168761905 776058082 /nfs/dbraw/zinc/05/80/82/776058082.db2.gz YRMWNSKIJSWSOI-UHFFFAOYSA-N 1 1 313.339 -1.362 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165448 776058310 /nfs/dbraw/zinc/05/83/10/776058310.db2.gz GKTCEQLDGZVFIC-IINYFYTJSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165448 776058315 /nfs/dbraw/zinc/05/83/15/776058315.db2.gz GKTCEQLDGZVFIC-IINYFYTJSA-N 1 1 310.354 -1.029 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083872815 776058334 /nfs/dbraw/zinc/05/83/34/776058334.db2.gz XUOGYNOKEOXUCK-ZJUUUORDSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083872815 776058337 /nfs/dbraw/zinc/05/83/37/776058337.db2.gz XUOGYNOKEOXUCK-ZJUUUORDSA-N 1 1 306.326 -1.454 20 0 DAADMO NC(=O)C(=O)NCC1([NH2+]CC(=O)Nc2nncs2)CCC1 ZINC001273147135 776058835 /nfs/dbraw/zinc/05/88/35/776058835.db2.gz LYYNQAYTWKWPGH-UHFFFAOYSA-N 1 1 312.355 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1nnc[nH]1 ZINC001083873556 776060111 /nfs/dbraw/zinc/06/01/11/776060111.db2.gz FVVNVZOZNQJAGM-AXFHLTTASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873556 776060117 /nfs/dbraw/zinc/06/01/17/776060117.db2.gz FVVNVZOZNQJAGM-AXFHLTTASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873556 776060122 /nfs/dbraw/zinc/06/01/22/776060122.db2.gz FVVNVZOZNQJAGM-AXFHLTTASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873556 776060125 /nfs/dbraw/zinc/06/01/25/776060125.db2.gz FVVNVZOZNQJAGM-AXFHLTTASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873556 776060130 /nfs/dbraw/zinc/06/01/30/776060130.db2.gz FVVNVZOZNQJAGM-AXFHLTTASA-N 1 1 322.369 -1.504 20 0 DAADMO C[C@@]1(CNC(=O)c2c[nH]c(=O)cn2)C[N@H+](CCCO)CCO1 ZINC001108167631 776061116 /nfs/dbraw/zinc/06/11/16/776061116.db2.gz NVBDNYMNNDBHAA-CQSZACIVSA-N 1 1 310.354 -1.027 20 0 DAADMO C[C@@]1(CNC(=O)c2c[nH]c(=O)cn2)C[N@@H+](CCCO)CCO1 ZINC001108167631 776061125 /nfs/dbraw/zinc/06/11/25/776061125.db2.gz NVBDNYMNNDBHAA-CQSZACIVSA-N 1 1 310.354 -1.027 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090267251 776062050 /nfs/dbraw/zinc/06/20/50/776062050.db2.gz AHVWDBWIFDKWRT-GHMZBOCLSA-N 1 1 321.345 -2.484 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CNC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001108168488 776062078 /nfs/dbraw/zinc/06/20/78/776062078.db2.gz BGRSTYPROCWVOQ-ZWNOBZJWSA-N 1 1 300.359 -1.743 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CNC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001108168488 776062082 /nfs/dbraw/zinc/06/20/82/776062082.db2.gz BGRSTYPROCWVOQ-ZWNOBZJWSA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncccn1 ZINC001083875432 776063121 /nfs/dbraw/zinc/06/31/21/776063121.db2.gz PFUWYYUMQYIPMS-NEPJUHHUSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncccn1 ZINC001083875432 776063133 /nfs/dbraw/zinc/06/31/33/776063133.db2.gz PFUWYYUMQYIPMS-NEPJUHHUSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CNC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001108168487 776063217 /nfs/dbraw/zinc/06/32/17/776063217.db2.gz BGRSTYPROCWVOQ-MFKMUULPSA-N 1 1 300.359 -1.743 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CNC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001108168487 776063229 /nfs/dbraw/zinc/06/32/29/776063229.db2.gz BGRSTYPROCWVOQ-MFKMUULPSA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC001083874567 776063316 /nfs/dbraw/zinc/06/33/16/776063316.db2.gz CONKRCUOZFRWDA-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC001083874567 776063323 /nfs/dbraw/zinc/06/33/23/776063323.db2.gz CONKRCUOZFRWDA-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccncn1 ZINC001083874589 776063673 /nfs/dbraw/zinc/06/36/73/776063673.db2.gz FABYDDRICNJIEQ-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccncn1 ZINC001083874589 776063675 /nfs/dbraw/zinc/06/36/75/776063675.db2.gz FABYDDRICNJIEQ-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267626 776065181 /nfs/dbraw/zinc/06/51/81/776065181.db2.gz CFLFKHGURKOMPM-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267626 776065182 /nfs/dbraw/zinc/06/51/82/776065182.db2.gz CFLFKHGURKOMPM-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267523 776065288 /nfs/dbraw/zinc/06/52/88/776065288.db2.gz BUVJFZWVKGNYGW-NXEZZACHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267523 776065292 /nfs/dbraw/zinc/06/52/92/776065292.db2.gz BUVJFZWVKGNYGW-NXEZZACHSA-N 1 1 311.346 -2.687 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268025 776065368 /nfs/dbraw/zinc/06/53/68/776065368.db2.gz FYHZQRPOCQBMFR-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268025 776065373 /nfs/dbraw/zinc/06/53/73/776065373.db2.gz FYHZQRPOCQBMFR-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268502 776066259 /nfs/dbraw/zinc/06/62/59/776066259.db2.gz MIZVRRIKEXFRIK-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268502 776066265 /nfs/dbraw/zinc/06/62/65/776066265.db2.gz MIZVRRIKEXFRIK-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001090268388 776066609 /nfs/dbraw/zinc/06/66/09/776066609.db2.gz KIMVVSSSERXWEV-STQMWFEESA-N 1 1 324.385 -1.206 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090269560 776067862 /nfs/dbraw/zinc/06/78/62/776067862.db2.gz SOXLMPOQFIDFJV-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)cn1 ZINC001090269560 776067865 /nfs/dbraw/zinc/06/78/65/776067865.db2.gz SOXLMPOQFIDFJV-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001090269528 776068165 /nfs/dbraw/zinc/06/81/65/776068165.db2.gz SJPHHTYGXCABNX-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001090269528 776068174 /nfs/dbraw/zinc/06/81/74/776068174.db2.gz SJPHHTYGXCABNX-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cc(CC[N@@H+]2CCO[C@@](C)(CNC(=O)C(N)=O)C2)cn1 ZINC001108172712 776068441 /nfs/dbraw/zinc/06/84/41/776068441.db2.gz FIKQPWKWVRPUOB-AWEZNQCLSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1cc(CC[N@H+]2CCO[C@@](C)(CNC(=O)C(N)=O)C2)cn1 ZINC001108172712 776068452 /nfs/dbraw/zinc/06/84/52/776068452.db2.gz FIKQPWKWVRPUOB-AWEZNQCLSA-N 1 1 309.370 -1.345 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090270648 776069854 /nfs/dbraw/zinc/06/98/54/776069854.db2.gz YJVYAFBYPVYQLF-ZYHUDNBSSA-N 1 1 309.370 -1.300 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274539 776072968 /nfs/dbraw/zinc/07/29/68/776072968.db2.gz INUIDZYPVUPFCQ-VHSXEESVSA-N 1 1 310.358 -1.663 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090275000 776075092 /nfs/dbraw/zinc/07/50/92/776075092.db2.gz JZCTXSDMXNDQPL-WDEREUQCSA-N 1 1 324.385 -1.416 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274999 776075136 /nfs/dbraw/zinc/07/51/36/776075136.db2.gz JZCTXSDMXNDQPL-QWRGUYRKSA-N 1 1 324.385 -1.416 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099690425 776076142 /nfs/dbraw/zinc/07/61/42/776076142.db2.gz OPBCWHNCVPQGKJ-UONOGXRCSA-N 1 1 323.397 -1.087 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)n1 ZINC001090277758 776077429 /nfs/dbraw/zinc/07/74/29/776077429.db2.gz YBOGFWGXYXIENM-WDEREUQCSA-N 1 1 322.369 -1.662 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001273182768 776078647 /nfs/dbraw/zinc/07/86/47/776078647.db2.gz DKIRHRVLLZQVSX-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001273182769 776079170 /nfs/dbraw/zinc/07/91/70/776079170.db2.gz DKIRHRVLLZQVSX-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129284029 776081235 /nfs/dbraw/zinc/08/12/35/776081235.db2.gz GOBKMFXXYXDFKP-UPJWGTAASA-N 1 1 324.385 -1.473 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129284029 776081239 /nfs/dbraw/zinc/08/12/39/776081239.db2.gz GOBKMFXXYXDFKP-UPJWGTAASA-N 1 1 324.385 -1.473 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](O)C1 ZINC001083894497 776082849 /nfs/dbraw/zinc/08/28/49/776082849.db2.gz IQNBUPWWMHXRGH-OLZOCXBDSA-N 1 1 324.381 -1.332 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001129298548 776083229 /nfs/dbraw/zinc/08/32/29/776083229.db2.gz WDJVXSXGPOTNPP-JTQLQIEISA-N 1 1 322.369 -1.460 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090289507 776084525 /nfs/dbraw/zinc/08/45/25/776084525.db2.gz AQFGOTVSBQTVCM-WDEREUQCSA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090289507 776084531 /nfs/dbraw/zinc/08/45/31/776084531.db2.gz AQFGOTVSBQTVCM-WDEREUQCSA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090289505 776084590 /nfs/dbraw/zinc/08/45/90/776084590.db2.gz AQFGOTVSBQTVCM-MNOVXSKESA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090289505 776084598 /nfs/dbraw/zinc/08/45/98/776084598.db2.gz AQFGOTVSBQTVCM-MNOVXSKESA-N 1 1 306.384 -2.035 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895009 776085378 /nfs/dbraw/zinc/08/53/78/776085378.db2.gz DMJGIICLEYMNRR-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129313160 776085570 /nfs/dbraw/zinc/08/55/70/776085570.db2.gz YTBOGJRTTDVVHZ-NEPJUHHUSA-N 1 1 324.385 -1.520 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1(N2CCOCC2)CCC1 ZINC001083902559 776086885 /nfs/dbraw/zinc/08/68/85/776086885.db2.gz YCIKFAJEBPZUJG-OLZOCXBDSA-N 1 1 313.398 -1.605 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1(N2CCOCC2)CCC1 ZINC001083902559 776086893 /nfs/dbraw/zinc/08/68/93/776086893.db2.gz YCIKFAJEBPZUJG-OLZOCXBDSA-N 1 1 313.398 -1.605 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895445 776087117 /nfs/dbraw/zinc/08/71/17/776087117.db2.gz XCBGMGAHFYINTG-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cccn2nnnc12 ZINC001090294765 776088375 /nfs/dbraw/zinc/08/83/75/776088375.db2.gz GTRZIYXZEGZYER-WDEREUQCSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294491 776088693 /nfs/dbraw/zinc/08/86/93/776088693.db2.gz YSOVTZMKWLUTEI-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090296025 776090090 /nfs/dbraw/zinc/09/00/90/776090090.db2.gz UYYNNWOCQHKXRQ-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090296025 776090096 /nfs/dbraw/zinc/09/00/96/776090096.db2.gz UYYNNWOCQHKXRQ-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090296022 776090450 /nfs/dbraw/zinc/09/04/50/776090450.db2.gz UYYNNWOCQHKXRQ-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090296022 776090456 /nfs/dbraw/zinc/09/04/56/776090456.db2.gz UYYNNWOCQHKXRQ-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090297432 776091280 /nfs/dbraw/zinc/09/12/80/776091280.db2.gz JCDAJOVWZDCMLM-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090297080 776091391 /nfs/dbraw/zinc/09/13/91/776091391.db2.gz GCEIWNQXJOSVMK-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090297080 776091398 /nfs/dbraw/zinc/09/13/98/776091398.db2.gz GCEIWNQXJOSVMK-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090293718 776091556 /nfs/dbraw/zinc/09/15/56/776091556.db2.gz VOEYYBQGCQPIQQ-GHMZBOCLSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090293718 776091559 /nfs/dbraw/zinc/09/15/59/776091559.db2.gz VOEYYBQGCQPIQQ-GHMZBOCLSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cccn2nnnc12 ZINC001090294136 776091651 /nfs/dbraw/zinc/09/16/51/776091651.db2.gz BCYWOQVTZWVFCP-VXGBXAGGSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090298483 776092406 /nfs/dbraw/zinc/09/24/06/776092406.db2.gz PWHARMCZOYZGTO-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298953 776092735 /nfs/dbraw/zinc/09/27/35/776092735.db2.gz UJMRGARQNCYVEH-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298953 776092741 /nfs/dbraw/zinc/09/27/41/776092741.db2.gz UJMRGARQNCYVEH-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC001090311931 776093579 /nfs/dbraw/zinc/09/35/79/776093579.db2.gz AXLUOQGGUGNUER-LDYMZIIASA-N 1 1 306.326 -1.490 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090310897 776094814 /nfs/dbraw/zinc/09/48/14/776094814.db2.gz OCGMGHQJDZOHCJ-NEPJUHHUSA-N 1 1 324.381 -1.493 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090311105 776095717 /nfs/dbraw/zinc/09/57/17/776095717.db2.gz QDWZBPNNPXYBOH-GHMZBOCLSA-N 1 1 321.399 -2.434 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090310649 776095799 /nfs/dbraw/zinc/09/57/99/776095799.db2.gz MPQNGMWKBKOXDF-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 ZINC001083919016 776096497 /nfs/dbraw/zinc/09/64/97/776096497.db2.gz DEUOSGIRRBAAFP-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2ccnn21 ZINC001090321723 776096672 /nfs/dbraw/zinc/09/66/72/776096672.db2.gz HVXITGAWUKVYFC-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2ccnn21 ZINC001090321721 776097717 /nfs/dbraw/zinc/09/77/17/776097717.db2.gz HVXITGAWUKVYFC-CMPLNLGQSA-N 1 1 305.338 -1.113 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 ZINC001083918968 776097752 /nfs/dbraw/zinc/09/77/52/776097752.db2.gz AKRHPQMJAMAMER-ZJUUUORDSA-N 1 1 312.370 -1.114 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001090335956 776099598 /nfs/dbraw/zinc/09/95/98/776099598.db2.gz DEDVYKIBNLDUQM-CMPLNLGQSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327429 776099911 /nfs/dbraw/zinc/09/99/11/776099911.db2.gz RJZQUEUDQDUAHR-ONGXEEELSA-N 1 1 306.326 -1.490 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001090335966 776100522 /nfs/dbraw/zinc/10/05/22/776100522.db2.gz DEDVYKIBNLDUQM-ZYHUDNBSSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083924836 776101443 /nfs/dbraw/zinc/10/14/43/776101443.db2.gz CAGIYWWXUDCACP-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083924553 776101754 /nfs/dbraw/zinc/10/17/54/776101754.db2.gz YBCJNTJONUFAQK-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090338586 776101774 /nfs/dbraw/zinc/10/17/74/776101774.db2.gz JRIBRJJZRGQBKA-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090338586 776101783 /nfs/dbraw/zinc/10/17/83/776101783.db2.gz JRIBRJJZRGQBKA-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925000 776102218 /nfs/dbraw/zinc/10/22/18/776102218.db2.gz KDYRLWQWOPGRER-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090343218 776102264 /nfs/dbraw/zinc/10/22/64/776102264.db2.gz YBWPUYWLCLVWTI-MNOVXSKESA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090343218 776102270 /nfs/dbraw/zinc/10/22/70/776102270.db2.gz YBWPUYWLCLVWTI-MNOVXSKESA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083925249 776102349 /nfs/dbraw/zinc/10/23/49/776102349.db2.gz VPAAVHFVXHZUBQ-ZJUUUORDSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC001090337261 776102454 /nfs/dbraw/zinc/10/24/54/776102454.db2.gz PMHNSZDINWMMBV-DGCLKSJQSA-N 1 1 324.381 -1.039 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC001090338086 776102812 /nfs/dbraw/zinc/10/28/12/776102812.db2.gz XXACEDUSZMZFSB-PWSUYJOCSA-N 1 1 310.354 -1.429 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925078 776103034 /nfs/dbraw/zinc/10/30/34/776103034.db2.gz NNDFYFNNCWNIJV-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090348641 776104374 /nfs/dbraw/zinc/10/43/74/776104374.db2.gz FFXNCBIDXXKFKV-GHMZBOCLSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090348641 776104377 /nfs/dbraw/zinc/10/43/77/776104377.db2.gz FFXNCBIDXXKFKV-GHMZBOCLSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@H]3O)nn2c1 ZINC001090350632 776104404 /nfs/dbraw/zinc/10/44/04/776104404.db2.gz XGODCIXNCMWXPJ-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090348644 776104557 /nfs/dbraw/zinc/10/45/57/776104557.db2.gz FFXNCBIDXXKFKV-WDEREUQCSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC001090348644 776104559 /nfs/dbraw/zinc/10/45/59/776104559.db2.gz FFXNCBIDXXKFKV-WDEREUQCSA-N 1 1 323.353 -1.565 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083929173 776104655 /nfs/dbraw/zinc/10/46/55/776104655.db2.gz RIEBIJRBSCPOMI-VNHYZAJKSA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c(=O)[nH]c1C ZINC001090358150 776105941 /nfs/dbraw/zinc/10/59/41/776105941.db2.gz KJBICQIKQMHVTC-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083930038 776106417 /nfs/dbraw/zinc/10/64/17/776106417.db2.gz UVOZHPFXZUAOIW-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083930038 776106424 /nfs/dbraw/zinc/10/64/24/776106424.db2.gz UVOZHPFXZUAOIW-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001090358149 776106877 /nfs/dbraw/zinc/10/68/77/776106877.db2.gz KJBICQIKQMHVTC-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090360123 776107128 /nfs/dbraw/zinc/10/71/28/776107128.db2.gz JFUYMGYLEVVUBR-YPMHNXCESA-N 1 1 322.365 -1.733 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cn([C@H]2CCOC2)nn1 ZINC001083929965 776107157 /nfs/dbraw/zinc/10/71/57/776107157.db2.gz RRAJHJRBEUZUSY-UMNHJUIQSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn([C@H]2CCOC2)nn1 ZINC001083929965 776107163 /nfs/dbraw/zinc/10/71/63/776107163.db2.gz RRAJHJRBEUZUSY-UMNHJUIQSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc(Cn2cccn2)on1 ZINC001083931848 776107216 /nfs/dbraw/zinc/10/72/16/776107216.db2.gz GDUCIMQIRYDSJJ-OLZOCXBDSA-N 1 1 321.337 -1.313 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(Cn2cccn2)on1 ZINC001083931848 776107220 /nfs/dbraw/zinc/10/72/20/776107220.db2.gz GDUCIMQIRYDSJJ-OLZOCXBDSA-N 1 1 321.337 -1.313 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001090358147 776107362 /nfs/dbraw/zinc/10/73/62/776107362.db2.gz KJBICQIKQMHVTC-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO COCCC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099710189 776111373 /nfs/dbraw/zinc/11/13/73/776111373.db2.gz UBKPNXLULZQUGG-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099710189 776111379 /nfs/dbraw/zinc/11/13/79/776111379.db2.gz UBKPNXLULZQUGG-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO CCCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099718156 776112637 /nfs/dbraw/zinc/11/26/37/776112637.db2.gz IBSUMPOMCOLZME-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090367913 776113431 /nfs/dbraw/zinc/11/34/31/776113431.db2.gz MDOHDUDSORZUFC-QWHCGFSZSA-N 1 1 312.414 -1.280 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001090368428 776113484 /nfs/dbraw/zinc/11/34/84/776113484.db2.gz RFTNGRCACKQYQG-RYUDHWBXSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001090368428 776113489 /nfs/dbraw/zinc/11/34/89/776113489.db2.gz RFTNGRCACKQYQG-RYUDHWBXSA-N 1 1 316.377 -1.719 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001081732880 776115896 /nfs/dbraw/zinc/11/58/96/776115896.db2.gz MSGQZZOAJDQZNC-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001090372939 776119509 /nfs/dbraw/zinc/11/95/09/776119509.db2.gz BTMZYHFHEKREPL-NXEZZACHSA-N 1 1 301.322 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001090372939 776119515 /nfs/dbraw/zinc/11/95/15/776119515.db2.gz BTMZYHFHEKREPL-NXEZZACHSA-N 1 1 301.322 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@H]2O)c1=O ZINC001090372973 776120773 /nfs/dbraw/zinc/12/07/73/776120773.db2.gz CFMCYGIVNCIYIP-QWHCGFSZSA-N 1 1 323.397 -1.067 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373729 776121954 /nfs/dbraw/zinc/12/19/54/776121954.db2.gz KCOBWCNUTQLINY-RYUDHWBXSA-N 1 1 311.386 -1.211 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099746016 776122166 /nfs/dbraw/zinc/12/21/66/776122166.db2.gz BFFGNDWWTDQEEP-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373730 776122514 /nfs/dbraw/zinc/12/25/14/776122514.db2.gz KCOBWCNUTQLINY-VXGBXAGGSA-N 1 1 311.386 -1.211 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001099744868 776122643 /nfs/dbraw/zinc/12/26/43/776122643.db2.gz XSPUHKPNWYNBNF-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001099744868 776122654 /nfs/dbraw/zinc/12/26/54/776122654.db2.gz XSPUHKPNWYNBNF-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001098877301 776123938 /nfs/dbraw/zinc/12/39/38/776123938.db2.gz UNJYUXAXXFHGCP-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083935796 776124565 /nfs/dbraw/zinc/12/45/65/776124565.db2.gz NJOPRCVOECLEQY-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083935796 776124570 /nfs/dbraw/zinc/12/45/70/776124570.db2.gz NJOPRCVOECLEQY-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083935796 776124573 /nfs/dbraw/zinc/12/45/73/776124573.db2.gz NJOPRCVOECLEQY-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)ncn1 ZINC001099758041 776125872 /nfs/dbraw/zinc/12/58/72/776125872.db2.gz NOSVBWSGNXMSAA-VXGBXAGGSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)ncn1 ZINC001099758041 776125877 /nfs/dbraw/zinc/12/58/77/776125877.db2.gz NOSVBWSGNXMSAA-VXGBXAGGSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001099758038 776126050 /nfs/dbraw/zinc/12/60/50/776126050.db2.gz NOSVBWSGNXMSAA-NEPJUHHUSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ncn1 ZINC001099758038 776126056 /nfs/dbraw/zinc/12/60/56/776126056.db2.gz NOSVBWSGNXMSAA-NEPJUHHUSA-N 1 1 307.354 -1.288 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCCF)C[C@H]2O)c1=O ZINC001090376389 776126806 /nfs/dbraw/zinc/12/68/06/776126806.db2.gz WOINQMAFZBZIAK-WDEREUQCSA-N 1 1 315.349 -1.507 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090376473 776126936 /nfs/dbraw/zinc/12/69/36/776126936.db2.gz XXXNZTSZEMDBHX-QWRGUYRKSA-N 1 1 313.358 -2.220 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758229 776127610 /nfs/dbraw/zinc/12/76/10/776127610.db2.gz POEVFTMZSQELHN-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758229 776127617 /nfs/dbraw/zinc/12/76/17/776127617.db2.gz POEVFTMZSQELHN-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC001090380958 776127875 /nfs/dbraw/zinc/12/78/75/776127875.db2.gz HSBIDJFHJGACLK-KOLCDFICSA-N 1 1 306.330 -1.739 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758501 776128016 /nfs/dbraw/zinc/12/80/16/776128016.db2.gz TZVFIAOXBRECCD-WDEREUQCSA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001099760310 776128429 /nfs/dbraw/zinc/12/84/29/776128429.db2.gz GXZWZMNWBNQEGR-MNOVXSKESA-N 1 1 312.370 -2.061 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001099760310 776128434 /nfs/dbraw/zinc/12/84/34/776128434.db2.gz GXZWZMNWBNQEGR-MNOVXSKESA-N 1 1 312.370 -2.061 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758500 776128445 /nfs/dbraw/zinc/12/84/45/776128445.db2.gz TZVFIAOXBRECCD-QWRGUYRKSA-N 1 1 303.359 -1.924 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC001090381868 776128586 /nfs/dbraw/zinc/12/85/86/776128586.db2.gz MSUTXGXCOIVOOF-PWSUYJOCSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC001090380954 776128713 /nfs/dbraw/zinc/12/87/13/776128713.db2.gz HSBIDJFHJGACLK-GXSJLCMTSA-N 1 1 306.330 -1.739 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N(CCO)CCOCCO ZINC001119136963 776131919 /nfs/dbraw/zinc/13/19/19/776131919.db2.gz BBHMZCPECCIFED-CYBMUJFWSA-N 1 1 318.418 -1.755 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090388037 776132044 /nfs/dbraw/zinc/13/20/44/776132044.db2.gz CBSSTKQKXFHLDT-NEPJUHHUSA-N 1 1 314.386 -1.665 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090390572 776133720 /nfs/dbraw/zinc/13/37/20/776133720.db2.gz IGWULNNNYODCFM-QWRGUYRKSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090390572 776133726 /nfs/dbraw/zinc/13/37/26/776133726.db2.gz IGWULNNNYODCFM-QWRGUYRKSA-N 1 1 302.350 -1.077 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001099782664 776134994 /nfs/dbraw/zinc/13/49/94/776134994.db2.gz FCTUFPISGVNJKM-QWRGUYRKSA-N 1 1 313.358 -1.428 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cn2cccnc2n1 ZINC001090393571 776135005 /nfs/dbraw/zinc/13/50/05/776135005.db2.gz MXBBRNPDRTZBCZ-CMPLNLGQSA-N 1 1 305.338 -1.113 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001099782914 776135120 /nfs/dbraw/zinc/13/51/20/776135120.db2.gz IHHYGBAAGDQWDV-GHMZBOCLSA-N 1 1 313.358 -1.428 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn2cccnc2n1 ZINC001090393572 776135183 /nfs/dbraw/zinc/13/51/83/776135183.db2.gz MXBBRNPDRTZBCZ-JQWIXIFHSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cn2cccnc2n1 ZINC001090393574 776135401 /nfs/dbraw/zinc/13/54/01/776135401.db2.gz MXBBRNPDRTZBCZ-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090392890 776135504 /nfs/dbraw/zinc/13/55/04/776135504.db2.gz XHHBHJFUMMDVQX-CHWSQXEVSA-N 1 1 309.366 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC001090391093 776135569 /nfs/dbraw/zinc/13/55/69/776135569.db2.gz AQVZNZYRPZQJIU-VXGBXAGGSA-N 1 1 320.349 -1.267 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC001090391087 776136385 /nfs/dbraw/zinc/13/63/85/776136385.db2.gz AQVZNZYRPZQJIU-NEPJUHHUSA-N 1 1 320.349 -1.267 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792556 776136878 /nfs/dbraw/zinc/13/68/78/776136878.db2.gz WHSGHBOBVWJIIK-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099792556 776136881 /nfs/dbraw/zinc/13/68/81/776136881.db2.gz WHSGHBOBVWJIIK-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCOC)C[C@@H]1O ZINC001099791470 776136891 /nfs/dbraw/zinc/13/68/91/776136891.db2.gz FRHLTZFMNNTQIZ-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099792173 776136903 /nfs/dbraw/zinc/13/69/03/776136903.db2.gz PYSXWGUHOCJVON-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099792172 776137378 /nfs/dbraw/zinc/13/73/78/776137378.db2.gz PYSXWGUHOCJVON-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2c1OCCC2 ZINC001090395688 776137730 /nfs/dbraw/zinc/13/77/30/776137730.db2.gz FHHISFQDLJMTAG-NWDGAFQWSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2c1OCCC2 ZINC001090395686 776137797 /nfs/dbraw/zinc/13/77/97/776137797.db2.gz FHHISFQDLJMTAG-NEPJUHHUSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(N2CCCC2)nn1 ZINC001083937498 776139818 /nfs/dbraw/zinc/13/98/18/776139818.db2.gz AZZPDVJUFSXANQ-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(N2CCCC2)nn1 ZINC001083937498 776139820 /nfs/dbraw/zinc/13/98/20/776139820.db2.gz AZZPDVJUFSXANQ-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001083940290 776139882 /nfs/dbraw/zinc/13/98/82/776139882.db2.gz NBVFIOLKXHXWCO-NEPJUHHUSA-N 1 1 320.353 -1.423 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2n[nH]nc2C1 ZINC001083949799 776141420 /nfs/dbraw/zinc/14/14/20/776141420.db2.gz OAUMGRNYMGIXJC-WQAKAFBOSA-N 1 1 309.370 -1.547 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083949596 776141762 /nfs/dbraw/zinc/14/17/62/776141762.db2.gz IIUKAMIERLLMMT-RQJHMYQMSA-N 1 1 314.298 -2.336 20 0 DAADMO CN1CCCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1=O ZINC001083947559 776142224 /nfs/dbraw/zinc/14/22/24/776142224.db2.gz YKNWTVMDNCSTEW-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083959385 776146180 /nfs/dbraw/zinc/14/61/80/776146180.db2.gz UBGQHSRCRFKAQX-BBBLOLIVSA-N 1 1 311.338 -1.049 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001083976826 776147600 /nfs/dbraw/zinc/14/76/00/776147600.db2.gz JOLQWNFSSACMAX-NEPJUHHUSA-N 1 1 310.354 -1.641 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084030524 776150151 /nfs/dbraw/zinc/15/01/51/776150151.db2.gz XFOSWUUYDSHSHJ-JLLWLGSASA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084028258 776150242 /nfs/dbraw/zinc/15/02/42/776150242.db2.gz OKTXYCJPSQTHTB-JLLWLGSASA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001084034166 776151338 /nfs/dbraw/zinc/15/13/38/776151338.db2.gz VZMUYJVMYHCFMI-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084033993 776151637 /nfs/dbraw/zinc/15/16/37/776151637.db2.gz PVXAQYPDQOELBW-MNOVXSKESA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084033993 776151642 /nfs/dbraw/zinc/15/16/42/776151642.db2.gz PVXAQYPDQOELBW-MNOVXSKESA-N 1 1 323.357 -2.535 20 0 DAADMO CC1CC(C[N@@H+]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)[C@@H](O)C2)C1 ZINC001084035852 776151664 /nfs/dbraw/zinc/15/16/64/776151664.db2.gz FQUKVZWRXKVDSN-HCWSGVFWSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033559 776151788 /nfs/dbraw/zinc/15/17/88/776151788.db2.gz YKWWPSULOURLEL-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001084034108 776151912 /nfs/dbraw/zinc/15/19/12/776151912.db2.gz UFFYLPODGIJQGO-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001084034108 776151914 /nfs/dbraw/zinc/15/19/14/776151914.db2.gz UFFYLPODGIJQGO-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035462 776151952 /nfs/dbraw/zinc/15/19/52/776151952.db2.gz UEVUXKQIECOSHR-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001084032708 776152072 /nfs/dbraw/zinc/15/20/72/776152072.db2.gz WXZDILAIJVAGLY-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc(-n2cnnn2)cc1 ZINC001084032708 776152073 /nfs/dbraw/zinc/15/20/73/776152073.db2.gz WXZDILAIJVAGLY-OLZOCXBDSA-N 1 1 318.337 -1.571 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039000 776152945 /nfs/dbraw/zinc/15/29/45/776152945.db2.gz FIORMNYLJWXCDK-HLTSFMKQSA-N 1 1 309.326 -2.269 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039000 776152954 /nfs/dbraw/zinc/15/29/54/776152954.db2.gz FIORMNYLJWXCDK-HLTSFMKQSA-N 1 1 309.326 -2.269 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@@H](O)C1 ZINC001084012497 776154637 /nfs/dbraw/zinc/15/46/37/776154637.db2.gz RLCXXAACUJAPSF-FRRDWIJNSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@@H](O)C1 ZINC001084012497 776154639 /nfs/dbraw/zinc/15/46/39/776154639.db2.gz RLCXXAACUJAPSF-FRRDWIJNSA-N 1 1 315.370 -1.959 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)c(=O)n1C ZINC001084012106 776154672 /nfs/dbraw/zinc/15/46/72/776154672.db2.gz GHDVMLRCWFYLIX-OLZOCXBDSA-N 1 1 323.397 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(=O)n1C ZINC001084012516 776155010 /nfs/dbraw/zinc/15/50/10/776155010.db2.gz SGZSFDGSXCNGTB-GDPRMGEGSA-N 1 1 313.358 -2.568 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1noc2c1COCC2 ZINC001084077991 776156725 /nfs/dbraw/zinc/15/67/25/776156725.db2.gz JHNBHEMSDHAEKB-MNOVXSKESA-N 1 1 311.338 -1.095 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1noc2c1COCC2 ZINC001084077991 776156732 /nfs/dbraw/zinc/15/67/32/776156732.db2.gz JHNBHEMSDHAEKB-MNOVXSKESA-N 1 1 311.338 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)C1 ZINC001084077318 776157586 /nfs/dbraw/zinc/15/75/86/776157586.db2.gz OSVWLLHAENLSJJ-WOPDTQHZSA-N 1 1 314.386 -2.386 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@@H]2O)C1 ZINC001084077318 776157588 /nfs/dbraw/zinc/15/75/88/776157588.db2.gz OSVWLLHAENLSJJ-WOPDTQHZSA-N 1 1 314.386 -2.386 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@@H]2O)C1 ZINC001084053018 776158377 /nfs/dbraw/zinc/15/83/77/776158377.db2.gz QCAMBAIHHVENKU-UTUOFQBUSA-N 1 1 319.427 -1.856 20 0 DAADMO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084047005 776158967 /nfs/dbraw/zinc/15/89/67/776158967.db2.gz VPYDICMVPKIARF-PWSUYJOCSA-N 1 1 321.333 -1.252 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](O)C1 ZINC001084048284 776159002 /nfs/dbraw/zinc/15/90/02/776159002.db2.gz NEMXMQJEHKTGEQ-WQAKAFBOSA-N 1 1 307.350 -1.059 20 0 DAADMO CCCCn1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)ccc1=O ZINC001084046791 776159458 /nfs/dbraw/zinc/15/94/58/776159458.db2.gz JZRIUYCMXNWVHK-OLZOCXBDSA-N 1 1 324.381 -1.189 20 0 DAADMO CCCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001084046791 776159461 /nfs/dbraw/zinc/15/94/61/776159461.db2.gz JZRIUYCMXNWVHK-OLZOCXBDSA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001084056609 776160490 /nfs/dbraw/zinc/16/04/90/776160490.db2.gz GTMAXYYDNAJOQA-MXWKQRLJSA-N 1 1 320.353 -1.791 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053188 776161312 /nfs/dbraw/zinc/16/13/12/776161312.db2.gz VVKYPIGFYPXDAP-MXWKQRLJSA-N 1 1 309.374 -2.177 20 0 DAADMO CCn1ncnc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053215 776161444 /nfs/dbraw/zinc/16/14/44/776161444.db2.gz WONSLUBDGNRHMN-XQQFMLRXSA-N 1 1 322.413 -1.089 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001084056939 776161747 /nfs/dbraw/zinc/16/17/47/776161747.db2.gz UYIANHAHLHAUGS-MNOVXSKESA-N 1 1 320.353 -1.526 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084067997 776162474 /nfs/dbraw/zinc/16/24/74/776162474.db2.gz IKQZHILIMFISHA-BBBLOLIVSA-N 1 1 307.372 -2.514 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067258 776162673 /nfs/dbraw/zinc/16/26/73/776162673.db2.gz JJBLETXUAOTELF-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001084062330 776162692 /nfs/dbraw/zinc/16/26/92/776162692.db2.gz LIFWMYKSGWCEJZ-AXTRIDKLSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001084060256 776162713 /nfs/dbraw/zinc/16/27/13/776162713.db2.gz OWQOSEHRWYPLDW-AGIUHOORSA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001084059752 776162729 /nfs/dbraw/zinc/16/27/29/776162729.db2.gz XEYJNUZFZGREQU-UTUOFQBUSA-N 1 1 307.354 -1.759 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001084067934 776162953 /nfs/dbraw/zinc/16/29/53/776162953.db2.gz FYTJKZJXXXBVEN-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001084059623 776163425 /nfs/dbraw/zinc/16/34/25/776163425.db2.gz QPUFVVHJGSQXRY-NEPJUHHUSA-N 1 1 319.369 -1.318 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084069024 776164421 /nfs/dbraw/zinc/16/44/21/776164421.db2.gz RSLNBHLEUICNBW-TUAOUCFPSA-N 1 1 319.427 -1.115 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112923 776165597 /nfs/dbraw/zinc/16/55/97/776165597.db2.gz QCXRKMXBLISLEQ-FXAINCCUSA-N 1 1 308.338 -1.664 20 0 DAADMO Cc1nn2cccnc2c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084068057 776165690 /nfs/dbraw/zinc/16/56/90/776165690.db2.gz KPEHBOPIJMYZKZ-MNOVXSKESA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nn2cccnc2c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084068057 776165693 /nfs/dbraw/zinc/16/56/93/776165693.db2.gz KPEHBOPIJMYZKZ-MNOVXSKESA-N 1 1 305.338 -1.195 20 0 DAADMO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084085325 776168018 /nfs/dbraw/zinc/16/80/18/776168018.db2.gz REYQHHXAJASSJK-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084085325 776168021 /nfs/dbraw/zinc/16/80/21/776168021.db2.gz REYQHHXAJASSJK-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO Cc1sc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC001084090764 776169970 /nfs/dbraw/zinc/16/99/70/776169970.db2.gz HFYBQWBGOWDONZ-MNOVXSKESA-N 1 1 315.395 -1.320 20 0 DAADMO COCC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001084136088 776171047 /nfs/dbraw/zinc/17/10/47/776171047.db2.gz SIPXJRTVEAAYTK-GHMZBOCLSA-N 1 1 310.354 -1.283 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132171 776171085 /nfs/dbraw/zinc/17/10/85/776171085.db2.gz KVDKIACTJVFZKH-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132722 776171227 /nfs/dbraw/zinc/17/12/27/776171227.db2.gz DWQYFVABMPWGSK-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176882 776171411 /nfs/dbraw/zinc/17/14/11/776171411.db2.gz KSINEPUTCBMSSN-IJLUTSLNSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176882 776171416 /nfs/dbraw/zinc/17/14/16/776171416.db2.gz KSINEPUTCBMSSN-IJLUTSLNSA-N 1 1 321.385 -1.318 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177027 776171792 /nfs/dbraw/zinc/17/17/92/776171792.db2.gz QXBBMHSBKIVIGJ-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177027 776171794 /nfs/dbraw/zinc/17/17/94/776171794.db2.gz QXBBMHSBKIVIGJ-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084178574 776171871 /nfs/dbraw/zinc/17/18/71/776171871.db2.gz PQBULFQMDBSMGK-GMTAPVOTSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084178574 776171877 /nfs/dbraw/zinc/17/18/77/776171877.db2.gz PQBULFQMDBSMGK-GMTAPVOTSA-N 1 1 305.342 -1.906 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099796556 776172078 /nfs/dbraw/zinc/17/20/78/776172078.db2.gz FZHWQFNKCKYNGH-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099796556 776172080 /nfs/dbraw/zinc/17/20/80/776172080.db2.gz FZHWQFNKCKYNGH-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084244299 776172850 /nfs/dbraw/zinc/17/28/50/776172850.db2.gz JEWBXKVNBIPQMW-OPRDCNLKSA-N 1 1 308.338 -1.800 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084244299 776172853 /nfs/dbraw/zinc/17/28/53/776172853.db2.gz JEWBXKVNBIPQMW-OPRDCNLKSA-N 1 1 308.338 -1.800 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294551 776172880 /nfs/dbraw/zinc/17/28/80/776172880.db2.gz VYTKCUNNLAGQNF-HBNTYKKESA-N 1 1 322.369 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294551 776172881 /nfs/dbraw/zinc/17/28/81/776172881.db2.gz VYTKCUNNLAGQNF-HBNTYKKESA-N 1 1 322.369 -1.349 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001084306656 776172919 /nfs/dbraw/zinc/17/29/19/776172919.db2.gz AKOVQGWAOZOUSF-KWCYVHTRSA-N 1 1 320.393 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001084306656 776172923 /nfs/dbraw/zinc/17/29/23/776172923.db2.gz AKOVQGWAOZOUSF-KWCYVHTRSA-N 1 1 320.393 -1.114 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290966 776173367 /nfs/dbraw/zinc/17/33/67/776173367.db2.gz VHYODFVHGZPOFO-JHJVBQTASA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290966 776173372 /nfs/dbraw/zinc/17/33/72/776173372.db2.gz VHYODFVHGZPOFO-JHJVBQTASA-N 1 1 310.398 -1.275 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084244298 776173462 /nfs/dbraw/zinc/17/34/62/776173462.db2.gz JEWBXKVNBIPQMW-KXUCPTDWSA-N 1 1 308.338 -1.800 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084244298 776173468 /nfs/dbraw/zinc/17/34/68/776173468.db2.gz JEWBXKVNBIPQMW-KXUCPTDWSA-N 1 1 308.338 -1.800 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001084416901 776174521 /nfs/dbraw/zinc/17/45/21/776174521.db2.gz ZMFHBIKLISCIRI-OUAUKWLOSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001084420265 776174766 /nfs/dbraw/zinc/17/47/66/776174766.db2.gz ZHHCSENTYCLDFU-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001084420265 776174771 /nfs/dbraw/zinc/17/47/71/776174771.db2.gz ZHHCSENTYCLDFU-HOSYDEDBSA-N 1 1 319.365 -1.200 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099800153 776174780 /nfs/dbraw/zinc/17/47/80/776174780.db2.gz YKFYCCKVHGSBQK-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099800153 776174783 /nfs/dbraw/zinc/17/47/83/776174783.db2.gz YKFYCCKVHGSBQK-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348286 776174810 /nfs/dbraw/zinc/17/48/10/776174810.db2.gz YVRAOHFQZLVZNN-QJPTWQEYSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348286 776174816 /nfs/dbraw/zinc/17/48/16/776174816.db2.gz YVRAOHFQZLVZNN-QJPTWQEYSA-N 1 1 321.385 -1.318 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347708 776174965 /nfs/dbraw/zinc/17/49/65/776174965.db2.gz COHJOICSEUGLNX-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347708 776174971 /nfs/dbraw/zinc/17/49/71/776174971.db2.gz COHJOICSEUGLNX-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO O=C(Cn1nccn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084376118 776175530 /nfs/dbraw/zinc/17/55/30/776175530.db2.gz KXOYVBQRWZAUFY-GRYCIOLGSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C(Cn1nccn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084376118 776175535 /nfs/dbraw/zinc/17/55/35/776175535.db2.gz KXOYVBQRWZAUFY-GRYCIOLGSA-N 1 1 304.354 -1.301 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348285 776175702 /nfs/dbraw/zinc/17/57/02/776175702.db2.gz YVRAOHFQZLVZNN-IJLUTSLNSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348285 776175708 /nfs/dbraw/zinc/17/57/08/776175708.db2.gz YVRAOHFQZLVZNN-IJLUTSLNSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001084356547 776175834 /nfs/dbraw/zinc/17/58/34/776175834.db2.gz ONPYUGJSKYYMBD-HBNTYKKESA-N 1 1 322.369 -1.710 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)CC1=O ZINC001084464430 776177119 /nfs/dbraw/zinc/17/71/19/776177119.db2.gz CZCMZYQDSPLDMH-ZIAGYGMSSA-N 1 1 324.425 -1.325 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001099802524 776177889 /nfs/dbraw/zinc/17/78/89/776177889.db2.gz XGHHKOWEWRIQEC-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001099802524 776177893 /nfs/dbraw/zinc/17/78/93/776177893.db2.gz XGHHKOWEWRIQEC-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CC1=O ZINC001084464648 776178239 /nfs/dbraw/zinc/17/82/39/776178239.db2.gz LYRIXKMGOPAOBQ-CHWSQXEVSA-N 1 1 310.398 -1.715 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573267 776179460 /nfs/dbraw/zinc/17/94/60/776179460.db2.gz MCMGGDPYRGLMKL-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573361 776179685 /nfs/dbraw/zinc/17/96/85/776179685.db2.gz PWPRFOYDAZMFKL-CHWSQXEVSA-N 1 1 310.398 -1.403 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084576044 776179729 /nfs/dbraw/zinc/17/97/29/776179729.db2.gz XXZILIRCCBGMEZ-IJLUTSLNSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001084576044 776179733 /nfs/dbraw/zinc/17/97/33/776179733.db2.gz XXZILIRCCBGMEZ-IJLUTSLNSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620287 776181538 /nfs/dbraw/zinc/18/15/38/776181538.db2.gz FTSMJIVSBLIXQQ-OUAUKWLOSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620287 776181544 /nfs/dbraw/zinc/18/15/44/776181544.db2.gz FTSMJIVSBLIXQQ-OUAUKWLOSA-N 1 1 309.370 -1.711 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084620638 776181926 /nfs/dbraw/zinc/18/19/26/776181926.db2.gz PJFFOQMXXXFAEF-IJLUTSLNSA-N 1 1 319.369 -1.508 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084575004 776182040 /nfs/dbraw/zinc/18/20/40/776182040.db2.gz XSFMMAAKIJOSDO-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084624498 776182078 /nfs/dbraw/zinc/18/20/78/776182078.db2.gz SCDYSSVMNWSDDI-OUAUKWLOSA-N 1 1 304.354 -1.217 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084626268 776183398 /nfs/dbraw/zinc/18/33/98/776183398.db2.gz HVQRPUDCTGFADR-IJLUTSLNSA-N 1 1 307.354 -1.738 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084626267 776183852 /nfs/dbraw/zinc/18/38/52/776183852.db2.gz HVQRPUDCTGFADR-GRYCIOLGSA-N 1 1 307.354 -1.738 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099809771 776183911 /nfs/dbraw/zinc/18/39/11/776183911.db2.gz LTPHXWGULUSJRV-VXGBXAGGSA-N 1 1 304.387 -1.292 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099811989 776184584 /nfs/dbraw/zinc/18/45/84/776184584.db2.gz ATGNUBBDWCUFJB-VXGBXAGGSA-N 1 1 312.370 -1.108 20 0 DAADMO CNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722550 776185720 /nfs/dbraw/zinc/18/57/20/776185720.db2.gz ULUSHQGGYLCNLY-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719334 776185806 /nfs/dbraw/zinc/18/58/06/776185806.db2.gz OZRJKBCGZZRGSU-IQJOONFLSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719334 776185810 /nfs/dbraw/zinc/18/58/10/776185810.db2.gz OZRJKBCGZZRGSU-IQJOONFLSA-N 1 1 322.365 -1.554 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)S1(=O)=O ZINC001084715221 776186033 /nfs/dbraw/zinc/18/60/33/776186033.db2.gz URFOEXCDJAQIJY-IJLUTSLNSA-N 1 1 317.411 -1.455 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC001084715221 776186038 /nfs/dbraw/zinc/18/60/38/776186038.db2.gz URFOEXCDJAQIJY-IJLUTSLNSA-N 1 1 317.411 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084726934 776186062 /nfs/dbraw/zinc/18/60/62/776186062.db2.gz XJKXTNOUWVEHFJ-GMTAPVOTSA-N 1 1 310.354 -1.548 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084725065 776186223 /nfs/dbraw/zinc/18/62/23/776186223.db2.gz HTJCIQIHOYJHGK-IVZWLZJFSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084725065 776186226 /nfs/dbraw/zinc/18/62/26/776186226.db2.gz HTJCIQIHOYJHGK-IVZWLZJFSA-N 1 1 323.353 -2.055 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084729011 776186400 /nfs/dbraw/zinc/18/64/00/776186400.db2.gz JWKNDGXVKXWBPJ-GHMZBOCLSA-N 1 1 319.369 -1.024 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084729011 776186406 /nfs/dbraw/zinc/18/64/06/776186406.db2.gz JWKNDGXVKXWBPJ-GHMZBOCLSA-N 1 1 319.369 -1.024 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001084772904 776187370 /nfs/dbraw/zinc/18/73/70/776187370.db2.gz UPBCYNHKNZNZIB-QJPTWQEYSA-N 1 1 324.381 -1.206 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c(=O)n1C ZINC001084806015 776187486 /nfs/dbraw/zinc/18/74/86/776187486.db2.gz SLFVIUMXEFGFEC-VXGBXAGGSA-N 1 1 309.370 -1.585 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[N@H+](C[C@H](C)O)C[C@H]32)c(=O)n1C ZINC001084805700 776187687 /nfs/dbraw/zinc/18/76/87/776187687.db2.gz ATBXWNIOLBQDOA-CYZMBNFOSA-N 1 1 323.397 -1.196 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090401731 776188525 /nfs/dbraw/zinc/18/85/25/776188525.db2.gz CUEIDCQVWIKBSJ-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001084772903 776188584 /nfs/dbraw/zinc/18/85/84/776188584.db2.gz UPBCYNHKNZNZIB-IJLUTSLNSA-N 1 1 324.381 -1.206 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084765956 776188721 /nfs/dbraw/zinc/18/87/21/776188721.db2.gz AFRDLIFBVCVAPL-OUAUKWLOSA-N 1 1 304.354 -1.232 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084765956 776188726 /nfs/dbraw/zinc/18/87/26/776188726.db2.gz AFRDLIFBVCVAPL-OUAUKWLOSA-N 1 1 304.354 -1.232 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090401602 776188877 /nfs/dbraw/zinc/18/88/77/776188877.db2.gz CUEIDCQVWIKBSJ-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084759936 776188908 /nfs/dbraw/zinc/18/89/08/776188908.db2.gz KPLRKOGLEKKOPD-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084819549 776190033 /nfs/dbraw/zinc/19/00/33/776190033.db2.gz GQDMADCOYNKQIA-GMTAPVOTSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818281 776190323 /nfs/dbraw/zinc/19/03/23/776190323.db2.gz SPIUUMBYYJKOAV-OPRDCNLKSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818281 776190330 /nfs/dbraw/zinc/19/03/30/776190330.db2.gz SPIUUMBYYJKOAV-OPRDCNLKSA-N 1 1 323.353 -2.055 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099835169 776190393 /nfs/dbraw/zinc/19/03/93/776190393.db2.gz DGGZPCAJLINYQF-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099835169 776190395 /nfs/dbraw/zinc/19/03/95/776190395.db2.gz DGGZPCAJLINYQF-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099833543 776190411 /nfs/dbraw/zinc/19/04/11/776190411.db2.gz XUUNUCHMCOXBBU-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1=O ZINC001084812016 776190673 /nfs/dbraw/zinc/19/06/73/776190673.db2.gz KIJAFXUGWYJEAA-GHMZBOCLSA-N 1 1 324.381 -1.158 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)C1 ZINC001084844570 776192553 /nfs/dbraw/zinc/19/25/53/776192553.db2.gz ZERVMCCICDPOSI-JHJVBQTASA-N 1 1 310.398 -1.275 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)C1 ZINC001084844570 776192556 /nfs/dbraw/zinc/19/25/56/776192556.db2.gz ZERVMCCICDPOSI-JHJVBQTASA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C[C@@H]21 ZINC001084925231 776193275 /nfs/dbraw/zinc/19/32/75/776193275.db2.gz OMRSWMXFZDFNSR-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C[C@@H]21 ZINC001084925231 776193286 /nfs/dbraw/zinc/19/32/86/776193286.db2.gz OMRSWMXFZDFNSR-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090402041 776193608 /nfs/dbraw/zinc/19/36/08/776193608.db2.gz FFWKPAWGIAAFDJ-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)[C@H](O)C1 ZINC001090402041 776193615 /nfs/dbraw/zinc/19/36/15/776193615.db2.gz FFWKPAWGIAAFDJ-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 ZINC001084919830 776194041 /nfs/dbraw/zinc/19/40/41/776194041.db2.gz PROSSABLILGLQM-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 ZINC001084919830 776194046 /nfs/dbraw/zinc/19/40/46/776194046.db2.gz PROSSABLILGLQM-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1=O ZINC001084953019 776194084 /nfs/dbraw/zinc/19/40/84/776194084.db2.gz PIOUOTMJMVAJGB-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1=O ZINC001084953019 776194087 /nfs/dbraw/zinc/19/40/87/776194087.db2.gz PIOUOTMJMVAJGB-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3C)C[C@@H]21 ZINC001084925230 776194154 /nfs/dbraw/zinc/19/41/54/776194154.db2.gz OMRSWMXFZDFNSR-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COCCN3C)C[C@@H]21 ZINC001084925230 776194156 /nfs/dbraw/zinc/19/41/56/776194156.db2.gz OMRSWMXFZDFNSR-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910903 776194204 /nfs/dbraw/zinc/19/42/04/776194204.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910903 776194206 /nfs/dbraw/zinc/19/42/06/776194206.db2.gz HIVLADKCRLNRET-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001084904913 776194348 /nfs/dbraw/zinc/19/43/48/776194348.db2.gz JSOZMRDUMUYNCG-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001084904913 776194352 /nfs/dbraw/zinc/19/43/52/776194352.db2.gz JSOZMRDUMUYNCG-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099860373 776195475 /nfs/dbraw/zinc/19/54/75/776195475.db2.gz ASOLERPJZWOWIB-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 ZINC001090399947 776195522 /nfs/dbraw/zinc/19/55/22/776195522.db2.gz QHURORJURZFTPS-WCQYABFASA-N 1 1 324.381 -1.065 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)S(C)(=O)=O ZINC001099861012 776195661 /nfs/dbraw/zinc/19/56/61/776195661.db2.gz LKXHXUHLVHSQDU-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099861776 776196013 /nfs/dbraw/zinc/19/60/13/776196013.db2.gz YSGNBUNJHKJVBA-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001099861651 776196058 /nfs/dbraw/zinc/19/60/58/776196058.db2.gz WUSIXFKFLHVZPK-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099861590 776196378 /nfs/dbraw/zinc/19/63/78/776196378.db2.gz WERAKRSFUKNALQ-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001099861842 776197405 /nfs/dbraw/zinc/19/74/05/776197405.db2.gz ZKTBRWPNKBUZFN-RYUDHWBXSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001099861840 776197456 /nfs/dbraw/zinc/19/74/56/776197456.db2.gz ZKTBRWPNKBUZFN-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C(=O)C1CC1 ZINC001099862917 776197499 /nfs/dbraw/zinc/19/74/99/776197499.db2.gz FPXUAWXCHICRIY-OLZOCXBDSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099863993 776198141 /nfs/dbraw/zinc/19/81/41/776198141.db2.gz PHKXMOTZLKKWQZ-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099863993 776198150 /nfs/dbraw/zinc/19/81/50/776198150.db2.gz PHKXMOTZLKKWQZ-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099861836 776198221 /nfs/dbraw/zinc/19/82/21/776198221.db2.gz ZKKCEKCCWKYHLI-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099861839 776198424 /nfs/dbraw/zinc/19/84/24/776198424.db2.gz ZKKCEKCCWKYHLI-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099862999 776198486 /nfs/dbraw/zinc/19/84/86/776198486.db2.gz GXVHBZRPEWBNIS-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 ZINC001085058468 776199649 /nfs/dbraw/zinc/19/96/49/776199649.db2.gz YUZUGNSOUOQDEB-TUAOUCFPSA-N 1 1 324.381 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 ZINC001085107596 776199813 /nfs/dbraw/zinc/19/98/13/776199813.db2.gz BMISZCIFQKWCAV-VWYCJHECSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]21 ZINC001085107596 776199816 /nfs/dbraw/zinc/19/98/16/776199816.db2.gz BMISZCIFQKWCAV-VWYCJHECSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085108510 776199872 /nfs/dbraw/zinc/19/98/72/776199872.db2.gz KGHHAQBTIIAQIQ-UTUOFQBUSA-N 1 1 309.366 -1.046 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000823416076 776201194 /nfs/dbraw/zinc/20/11/94/776201194.db2.gz WKMUMBVBVNZOOE-UHFFFAOYSA-N 1 1 320.459 -1.075 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001085186625 776201286 /nfs/dbraw/zinc/20/12/86/776201286.db2.gz BEFJOCOGWARFDV-OPRDCNLKSA-N 1 1 323.357 -1.165 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000823788534 776201312 /nfs/dbraw/zinc/20/13/12/776201312.db2.gz KICOUWGXRWTVKJ-GFCCVEGCSA-N 1 1 312.370 -1.876 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273295697 776204468 /nfs/dbraw/zinc/20/44/68/776204468.db2.gz VIOBSVAVWUSWMC-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(Cn1ncnn1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098367741 776205352 /nfs/dbraw/zinc/20/53/52/776205352.db2.gz MVPVIYUEJOBFMJ-UHFFFAOYSA-N 1 1 312.374 -1.659 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001098371944 776205530 /nfs/dbraw/zinc/20/55/30/776205530.db2.gz OLBFKCUOOPTBIQ-NHYWBVRUSA-N 1 1 311.382 -1.207 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001098367619 776205823 /nfs/dbraw/zinc/20/58/23/776205823.db2.gz IWOPHDXYQFQLIO-UHFFFAOYSA-N 1 1 312.374 -1.395 20 0 DAADMO CCc1[nH+]ccn1CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001154615978 776205997 /nfs/dbraw/zinc/20/59/97/776205997.db2.gz KGQAKHCXSXZVMC-UHFFFAOYSA-N 1 1 307.310 -1.018 20 0 DAADMO CC[N@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693332 776206230 /nfs/dbraw/zinc/20/62/30/776206230.db2.gz ODGLHYSWSVABSP-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[N@@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693332 776206238 /nfs/dbraw/zinc/20/62/38/776206238.db2.gz ODGLHYSWSVABSP-SECBINFHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001098367623 776206446 /nfs/dbraw/zinc/20/64/46/776206446.db2.gz JFCCRWNHGRMCKZ-LLVKDONJSA-N 1 1 312.374 -1.661 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099963142 776206460 /nfs/dbraw/zinc/20/64/60/776206460.db2.gz ZZYBNDILSALTBB-CHWSQXEVSA-N 1 1 313.354 -1.223 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099963143 776206612 /nfs/dbraw/zinc/20/66/12/776206612.db2.gz ZZYBNDILSALTBB-OLZOCXBDSA-N 1 1 313.354 -1.223 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001099971224 776207363 /nfs/dbraw/zinc/20/73/63/776207363.db2.gz CYICJIQWHGAHNJ-OLZOCXBDSA-N 1 1 312.370 -1.267 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099969354 776207674 /nfs/dbraw/zinc/20/76/74/776207674.db2.gz IFROKJNQUMNTMZ-JQWIXIFHSA-N 1 1 310.354 -1.029 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099969355 776207970 /nfs/dbraw/zinc/20/79/70/776207970.db2.gz IFROKJNQUMNTMZ-PWSUYJOCSA-N 1 1 310.354 -1.029 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971874 776208101 /nfs/dbraw/zinc/20/81/01/776208101.db2.gz NPIMGNVEBJPQRP-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971874 776208104 /nfs/dbraw/zinc/20/81/04/776208104.db2.gz NPIMGNVEBJPQRP-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO Cn1cc(OCC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001099971225 776208118 /nfs/dbraw/zinc/20/81/18/776208118.db2.gz CYICJIQWHGAHNJ-QWHCGFSZSA-N 1 1 312.370 -1.267 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972590 776208206 /nfs/dbraw/zinc/20/82/06/776208206.db2.gz YXJANPHFYYPTBP-ZJUUUORDSA-N 1 1 314.386 -1.672 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972590 776208212 /nfs/dbraw/zinc/20/82/12/776208212.db2.gz YXJANPHFYYPTBP-ZJUUUORDSA-N 1 1 314.386 -1.672 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000827832315 776211242 /nfs/dbraw/zinc/21/12/42/776211242.db2.gz YTHJDHYIUOPWLO-UHFFFAOYSA-N 1 1 312.370 -1.033 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000827832315 776211244 /nfs/dbraw/zinc/21/12/44/776211244.db2.gz YTHJDHYIUOPWLO-UHFFFAOYSA-N 1 1 312.370 -1.033 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099981800 776211308 /nfs/dbraw/zinc/21/13/08/776211308.db2.gz SZSPCNFUZIBEIB-NXEZZACHSA-N 1 1 309.388 -2.401 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000828634770 776213518 /nfs/dbraw/zinc/21/35/18/776213518.db2.gz AFSKZCNJXQHWKI-IAQYHMDHSA-N 1 1 312.414 -1.150 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000828637532 776213678 /nfs/dbraw/zinc/21/36/78/776213678.db2.gz YVVWFGGUXVGXIU-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](CO)C1 ZINC000828717628 776215140 /nfs/dbraw/zinc/21/51/40/776215140.db2.gz ZDMAJOKVDATSID-NSHDSACASA-N 1 1 324.381 -1.014 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](CO)C1 ZINC000828717628 776215143 /nfs/dbraw/zinc/21/51/43/776215143.db2.gz ZDMAJOKVDATSID-NSHDSACASA-N 1 1 324.381 -1.014 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1COC(=O)N1 ZINC001085570315 776215391 /nfs/dbraw/zinc/21/53/91/776215391.db2.gz GZYCGMCYMRIYRE-WDEREUQCSA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1COC(=O)N1 ZINC001085570315 776215397 /nfs/dbraw/zinc/21/53/97/776215397.db2.gz GZYCGMCYMRIYRE-WDEREUQCSA-N 1 1 308.342 -1.081 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000828716156 776215538 /nfs/dbraw/zinc/21/55/38/776215538.db2.gz KXAYGWFBNBIMJU-QMAVJUDZSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(=O)n(C)c1=O ZINC000828716156 776215544 /nfs/dbraw/zinc/21/55/44/776215544.db2.gz KXAYGWFBNBIMJU-QMAVJUDZSA-N 1 1 322.365 -1.768 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)C[C@H]1O ZINC001099986934 776216914 /nfs/dbraw/zinc/21/69/14/776216914.db2.gz RJDCZCVEDHXLNE-QWHCGFSZSA-N 1 1 310.402 -1.219 20 0 DAADMO CN(C[C@H]1CCN1CC(N)=O)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732062 776220234 /nfs/dbraw/zinc/22/02/34/776220234.db2.gz QGSCBYPRCPYGPB-WULFKBJJSA-N 1 1 322.409 -1.132 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090402742 776221226 /nfs/dbraw/zinc/22/12/26/776221226.db2.gz IRNUCGRQLYMLNT-GHMZBOCLSA-N 1 1 310.354 -1.091 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001085761592 776222369 /nfs/dbraw/zinc/22/23/69/776222369.db2.gz OGEFLDVCPRZZLG-NEPJUHHUSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001085761592 776222377 /nfs/dbraw/zinc/22/23/77/776222377.db2.gz OGEFLDVCPRZZLG-NEPJUHHUSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001085763244 776222960 /nfs/dbraw/zinc/22/29/60/776222960.db2.gz YLOXDYOPLMAXKB-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001085763244 776222967 /nfs/dbraw/zinc/22/29/67/776222967.db2.gz YLOXDYOPLMAXKB-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001085771646 776223520 /nfs/dbraw/zinc/22/35/20/776223520.db2.gz GISAONCPYQYDBP-JTQLQIEISA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001085771646 776223527 /nfs/dbraw/zinc/22/35/27/776223527.db2.gz GISAONCPYQYDBP-JTQLQIEISA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001085771647 776223671 /nfs/dbraw/zinc/22/36/71/776223671.db2.gz GISAONCPYQYDBP-SNVBAGLBSA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001085771647 776223678 /nfs/dbraw/zinc/22/36/78/776223678.db2.gz GISAONCPYQYDBP-SNVBAGLBSA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CCNC1=O ZINC001085763878 776224356 /nfs/dbraw/zinc/22/43/56/776224356.db2.gz LNZYSWGPZBOEEK-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CCNC1=O ZINC001085763878 776224359 /nfs/dbraw/zinc/22/43/59/776224359.db2.gz LNZYSWGPZBOEEK-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001085772480 776224532 /nfs/dbraw/zinc/22/45/32/776224532.db2.gz YCGQSZAEQXAWME-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001085772480 776224542 /nfs/dbraw/zinc/22/45/42/776224542.db2.gz YCGQSZAEQXAWME-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085793161 776225303 /nfs/dbraw/zinc/22/53/03/776225303.db2.gz CNHNLGCNGBWJKR-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085793161 776225311 /nfs/dbraw/zinc/22/53/11/776225311.db2.gz CNHNLGCNGBWJKR-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793716 776226187 /nfs/dbraw/zinc/22/61/87/776226187.db2.gz NPXDKHCEPSEUTA-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793716 776226195 /nfs/dbraw/zinc/22/61/95/776226195.db2.gz NPXDKHCEPSEUTA-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@H]21 ZINC001273363867 776227147 /nfs/dbraw/zinc/22/71/47/776227147.db2.gz QXKQSNDSGHYMIL-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085851596 776227364 /nfs/dbraw/zinc/22/73/64/776227364.db2.gz ZXXLSNHXWTXLMG-QWRGUYRKSA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001085810735 776228141 /nfs/dbraw/zinc/22/81/41/776228141.db2.gz MLIOHDWDNBNXFL-QMMMGPOBSA-N 1 1 317.371 -1.804 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001085810735 776228143 /nfs/dbraw/zinc/22/81/43/776228143.db2.gz MLIOHDWDNBNXFL-QMMMGPOBSA-N 1 1 317.371 -1.804 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001085881472 776228899 /nfs/dbraw/zinc/22/88/99/776228899.db2.gz GJQXPWPJHHECRF-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001085881472 776228902 /nfs/dbraw/zinc/22/89/02/776228902.db2.gz GJQXPWPJHHECRF-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001085872645 776229583 /nfs/dbraw/zinc/22/95/83/776229583.db2.gz BLULWZKJXZAOMQ-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001085872645 776229586 /nfs/dbraw/zinc/22/95/86/776229586.db2.gz BLULWZKJXZAOMQ-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085867939 776229603 /nfs/dbraw/zinc/22/96/03/776229603.db2.gz AHWHDEYYNZDRIO-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085867939 776229608 /nfs/dbraw/zinc/22/96/08/776229608.db2.gz AHWHDEYYNZDRIO-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C)S(=O)(=O)N1CCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001273368038 776229915 /nfs/dbraw/zinc/22/99/15/776229915.db2.gz YIEMCRXYMVPOPU-UHFFFAOYSA-N 1 1 302.400 -1.215 20 0 DAADMO CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+]1CCC1 ZINC001273366550 776229952 /nfs/dbraw/zinc/22/99/52/776229952.db2.gz GIUPPHVKSQIHBL-PHIMTYICSA-N 1 1 302.400 -1.216 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100008332 776231459 /nfs/dbraw/zinc/23/14/59/776231459.db2.gz GHEOGNPOUDYKQV-STQMWFEESA-N 1 1 311.386 -1.055 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2CC(=O)NC)C1 ZINC001085982432 776235070 /nfs/dbraw/zinc/23/50/70/776235070.db2.gz KKIATPOWSFWICJ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CCN2CC(=O)NC)C1 ZINC001085982432 776235080 /nfs/dbraw/zinc/23/50/80/776235080.db2.gz KKIATPOWSFWICJ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090403063 776235301 /nfs/dbraw/zinc/23/53/01/776235301.db2.gz JSKIPWJZWOYGBJ-UWVGGRQHSA-N 1 1 314.317 -1.530 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090403063 776235307 /nfs/dbraw/zinc/23/53/07/776235307.db2.gz JSKIPWJZWOYGBJ-UWVGGRQHSA-N 1 1 314.317 -1.530 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100021121 776235611 /nfs/dbraw/zinc/23/56/11/776235611.db2.gz YHDZZDBENXZGPJ-QWRGUYRKSA-N 1 1 322.431 -1.658 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986307 776235680 /nfs/dbraw/zinc/23/56/80/776235680.db2.gz AKGFNVSKAOFJGD-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001086031968 776236081 /nfs/dbraw/zinc/23/60/81/776236081.db2.gz ANYRKECNLISNKS-AXFHLTTASA-N 1 1 310.358 -1.390 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086052163 776236352 /nfs/dbraw/zinc/23/63/52/776236352.db2.gz BSTGCQZXYMVQAO-OUAUKWLOSA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086052163 776236357 /nfs/dbraw/zinc/23/63/57/776236357.db2.gz BSTGCQZXYMVQAO-OUAUKWLOSA-N 1 1 324.385 -1.175 20 0 DAADMO O=C(COC1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100025476 776236445 /nfs/dbraw/zinc/23/64/45/776236445.db2.gz WPEVWPMKHJBTCY-STQMWFEESA-N 1 1 302.371 -1.274 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100021124 776237212 /nfs/dbraw/zinc/23/72/12/776237212.db2.gz YIJXGOUJCCCIAJ-UWVGGRQHSA-N 1 1 324.403 -3.074 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001086050774 776237246 /nfs/dbraw/zinc/23/72/46/776237246.db2.gz MJWCUJWKNJVSJJ-AOOOYVTPSA-N 1 1 319.373 -1.055 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090403683 776237477 /nfs/dbraw/zinc/23/74/77/776237477.db2.gz OGLNFBYPNOWQBT-VHSXEESVSA-N 1 1 312.326 -2.507 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C2)nc(C)[nH+]1 ZINC001090403937 776237816 /nfs/dbraw/zinc/23/78/16/776237816.db2.gz FFMXKVVYZVTBQO-JMJZKYOTSA-N 1 1 322.369 -1.184 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100031430 776242424 /nfs/dbraw/zinc/24/24/24/776242424.db2.gz FGDHLNJNHCZFKW-RYUDHWBXSA-N 1 1 322.427 -1.255 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100031430 776242428 /nfs/dbraw/zinc/24/24/28/776242428.db2.gz FGDHLNJNHCZFKW-RYUDHWBXSA-N 1 1 322.427 -1.255 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001100038349 776244959 /nfs/dbraw/zinc/24/49/59/776244959.db2.gz IJXYVJDITGGMNU-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001100038349 776244967 /nfs/dbraw/zinc/24/49/67/776244967.db2.gz IJXYVJDITGGMNU-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001100038349 776244975 /nfs/dbraw/zinc/24/49/75/776244975.db2.gz IJXYVJDITGGMNU-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001108249611 776248396 /nfs/dbraw/zinc/24/83/96/776248396.db2.gz IMJFMNSDMJZBAT-LBPRGKRZSA-N 1 1 322.431 -1.391 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001108249611 776248400 /nfs/dbraw/zinc/24/84/00/776248400.db2.gz IMJFMNSDMJZBAT-LBPRGKRZSA-N 1 1 322.431 -1.391 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ncccn1 ZINC001100040967 776249880 /nfs/dbraw/zinc/24/98/80/776249880.db2.gz CEDQWKZCKOKMMN-RYUDHWBXSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001086227781 776251799 /nfs/dbraw/zinc/25/17/99/776251799.db2.gz HDBYGHLXSUUEBB-AOOOYVTPSA-N 1 1 307.358 -1.072 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001086227781 776251801 /nfs/dbraw/zinc/25/18/01/776251801.db2.gz HDBYGHLXSUUEBB-AOOOYVTPSA-N 1 1 307.358 -1.072 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 ZINC001100051587 776252582 /nfs/dbraw/zinc/25/25/82/776252582.db2.gz XYQMTSARWLJWTL-QWHCGFSZSA-N 1 1 324.381 -1.169 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001086326625 776254020 /nfs/dbraw/zinc/25/40/20/776254020.db2.gz SYKDLVRSCBPXJY-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO O=C(CCCn1cncn1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100062179 776254155 /nfs/dbraw/zinc/25/41/55/776254155.db2.gz PLVOJNYZIWSYAZ-QWHCGFSZSA-N 1 1 311.386 -1.008 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001086311268 776254732 /nfs/dbraw/zinc/25/47/32/776254732.db2.gz ANYRKECNLISNKS-DCAQKATOSA-N 1 1 310.358 -1.390 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001086331321 776255394 /nfs/dbraw/zinc/25/53/94/776255394.db2.gz MJWCUJWKNJVSJJ-MGCOHNPYSA-N 1 1 319.373 -1.055 20 0 DAADMO O=C(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)NCC1CC1 ZINC001100068783 776256862 /nfs/dbraw/zinc/25/68/62/776256862.db2.gz AXNVPTHGLDNEIK-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001086381430 776258703 /nfs/dbraw/zinc/25/87/03/776258703.db2.gz VUUXDKIOWRZOJI-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001086381429 776259144 /nfs/dbraw/zinc/25/91/44/776259144.db2.gz VUUXDKIOWRZOJI-DCAQKATOSA-N 1 1 321.385 -1.327 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100079254 776260632 /nfs/dbraw/zinc/26/06/32/776260632.db2.gz WSHHLMJREIRHAV-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100084146 776261926 /nfs/dbraw/zinc/26/19/26/776261926.db2.gz XWVSMLBIFUTYCQ-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100084146 776261928 /nfs/dbraw/zinc/26/19/28/776261928.db2.gz XWVSMLBIFUTYCQ-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001086464623 776265228 /nfs/dbraw/zinc/26/52/28/776265228.db2.gz BORMGRXPCFOWDZ-IWSPIJDZSA-N 1 1 308.346 -2.124 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100097594 776266679 /nfs/dbraw/zinc/26/66/79/776266679.db2.gz YYTCFYNPHHUONW-WDEREUQCSA-N 1 1 311.338 -1.447 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001086508330 776269295 /nfs/dbraw/zinc/26/92/95/776269295.db2.gz NMFXJHFTXYKHOA-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001086508330 776269303 /nfs/dbraw/zinc/26/93/03/776269303.db2.gz NMFXJHFTXYKHOA-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001086508012 776269841 /nfs/dbraw/zinc/26/98/41/776269841.db2.gz XDEWCKVIFZSGNZ-KYZUINATSA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001086508012 776269844 /nfs/dbraw/zinc/26/98/44/776269844.db2.gz XDEWCKVIFZSGNZ-KYZUINATSA-N 1 1 321.341 -1.546 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291506 776272947 /nfs/dbraw/zinc/27/29/47/776272947.db2.gz RVMPVXRVXSDURY-GWCFXTLKSA-N 1 1 314.342 -1.102 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291506 776272955 /nfs/dbraw/zinc/27/29/55/776272955.db2.gz RVMPVXRVXSDURY-GWCFXTLKSA-N 1 1 314.342 -1.102 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001100117581 776273394 /nfs/dbraw/zinc/27/33/94/776273394.db2.gz LHFNZGBPWPINOU-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100117185 776273613 /nfs/dbraw/zinc/27/36/13/776273613.db2.gz DJAWZHBEMIXRCQ-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300996 776273729 /nfs/dbraw/zinc/27/37/29/776273729.db2.gz KMRUNDFRYDMOND-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300996 776273739 /nfs/dbraw/zinc/27/37/39/776273739.db2.gz KMRUNDFRYDMOND-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108301239 776273773 /nfs/dbraw/zinc/27/37/73/776273773.db2.gz NYSUPZJROQPZRU-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108301239 776273782 /nfs/dbraw/zinc/27/37/82/776273782.db2.gz NYSUPZJROQPZRU-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291509 776273994 /nfs/dbraw/zinc/27/39/94/776273994.db2.gz RVMPVXRVXSDURY-ZWNOBZJWSA-N 1 1 314.342 -1.102 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291509 776274002 /nfs/dbraw/zinc/27/40/02/776274002.db2.gz RVMPVXRVXSDURY-ZWNOBZJWSA-N 1 1 314.342 -1.102 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001100117580 776274454 /nfs/dbraw/zinc/27/44/54/776274454.db2.gz LHFNZGBPWPINOU-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100122929 776276961 /nfs/dbraw/zinc/27/69/61/776276961.db2.gz YZWFMMRZFXSIJR-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100122930 776277331 /nfs/dbraw/zinc/27/73/31/776277331.db2.gz YZWFMMRZFXSIJR-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO CNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394404 776279932 /nfs/dbraw/zinc/27/99/32/776279932.db2.gz HVLCTPXODNMMLB-IUODEOHRSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)CN1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394405 776280486 /nfs/dbraw/zinc/28/04/86/776280486.db2.gz HVLCTPXODNMMLB-SWLSCSKDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001108404897 776280749 /nfs/dbraw/zinc/28/07/49/776280749.db2.gz NHYDLLYRMBDFTL-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001108404897 776280751 /nfs/dbraw/zinc/28/07/51/776280751.db2.gz NHYDLLYRMBDFTL-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108404690 776280792 /nfs/dbraw/zinc/28/07/92/776280792.db2.gz HNTVJLNYQQSRRI-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108404690 776280795 /nfs/dbraw/zinc/28/07/95/776280795.db2.gz HNTVJLNYQQSRRI-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001108417960 776281484 /nfs/dbraw/zinc/28/14/84/776281484.db2.gz LLTWNFSPYGGNSV-AWEZNQCLSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001108417960 776281491 /nfs/dbraw/zinc/28/14/91/776281491.db2.gz LLTWNFSPYGGNSV-AWEZNQCLSA-N 1 1 324.385 -1.379 20 0 DAADMO C[C@@]1(CNC(=O)c2cncc(C(N)=O)c2)C[N@H+](CCO)CCO1 ZINC001108402854 776281554 /nfs/dbraw/zinc/28/15/54/776281554.db2.gz OMHWRADFFCLYGJ-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@@]1(CNC(=O)c2cncc(C(N)=O)c2)C[N@@H+](CCO)CCO1 ZINC001108402854 776281560 /nfs/dbraw/zinc/28/15/60/776281560.db2.gz OMHWRADFFCLYGJ-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@]1(CNC(=O)c2cncc(C(N)=O)c2)C[N@H+](CCO)CCO1 ZINC001108402853 776281872 /nfs/dbraw/zinc/28/18/72/776281872.db2.gz OMHWRADFFCLYGJ-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@]1(CNC(=O)c2cncc(C(N)=O)c2)C[N@@H+](CCO)CCO1 ZINC001108402853 776281879 /nfs/dbraw/zinc/28/18/79/776281879.db2.gz OMHWRADFFCLYGJ-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO CC(C)[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421238 776282036 /nfs/dbraw/zinc/28/20/36/776282036.db2.gz IQPGJMQUVUAPPO-CQSZACIVSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001108417961 776282244 /nfs/dbraw/zinc/28/22/44/776282244.db2.gz LLTWNFSPYGGNSV-CQSZACIVSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)CNC(=O)Cn2cncn2)C1 ZINC001108417961 776282250 /nfs/dbraw/zinc/28/22/50/776282250.db2.gz LLTWNFSPYGGNSV-CQSZACIVSA-N 1 1 324.385 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001108410696 776282322 /nfs/dbraw/zinc/28/23/22/776282322.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001108410696 776282328 /nfs/dbraw/zinc/28/23/28/776282328.db2.gz TXIMNKWKBSRHAL-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108446473 776285296 /nfs/dbraw/zinc/28/52/96/776285296.db2.gz AHYXZNUSRDKKKD-IINYFYTJSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@]1(CNC(=O)C[C@H]2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108446473 776285304 /nfs/dbraw/zinc/28/53/04/776285304.db2.gz AHYXZNUSRDKKKD-IINYFYTJSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)N1CCOCC1 ZINC001108446813 776285605 /nfs/dbraw/zinc/28/56/05/776285605.db2.gz KGUCZUVJVVVVFV-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)N1CCOCC1 ZINC001108446813 776285611 /nfs/dbraw/zinc/28/56/11/776285611.db2.gz KGUCZUVJVVVVFV-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)N1CCOCC1 ZINC001108446814 776285775 /nfs/dbraw/zinc/28/57/75/776285775.db2.gz KGUCZUVJVVVVFV-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)N1CCOCC1 ZINC001108446814 776285779 /nfs/dbraw/zinc/28/57/79/776285779.db2.gz KGUCZUVJVVVVFV-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C3CC3)CC2=O)C1 ZINC001108493642 776291490 /nfs/dbraw/zinc/29/14/90/776291490.db2.gz UQLVRPNIHKRNGP-WCQYABFASA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108499060 776292178 /nfs/dbraw/zinc/29/21/78/776292178.db2.gz SGJSVXFOADOSFU-NSHDSACASA-N 1 1 314.361 -1.117 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108496960 776292732 /nfs/dbraw/zinc/29/27/32/776292732.db2.gz XPDBOVQRJHWZJF-NSHDSACASA-N 1 1 312.370 -2.094 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108502212 776294307 /nfs/dbraw/zinc/29/43/07/776294307.db2.gz IZGOMBDPMDSXQW-SECBINFHSA-N 1 1 313.358 -2.562 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115300554 776295388 /nfs/dbraw/zinc/29/53/88/776295388.db2.gz UPDIKEQDJSKHHN-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115300554 776295390 /nfs/dbraw/zinc/29/53/90/776295390.db2.gz UPDIKEQDJSKHHN-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108525931 776297838 /nfs/dbraw/zinc/29/78/38/776297838.db2.gz RXWXTYSMJRRWJP-ZJUUUORDSA-N 1 1 312.370 -1.702 20 0 DAADMO COCCC[NH+]1CC(N2C[C@@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523437 776297865 /nfs/dbraw/zinc/29/78/65/776297865.db2.gz JNRGOWYBVMVZAK-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CCOC(=O)N1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001169671151 776298160 /nfs/dbraw/zinc/29/81/60/776298160.db2.gz DFEBTGNGLQBPBN-CYDGBPFRSA-N 1 1 312.418 -1.010 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342373 776299108 /nfs/dbraw/zinc/29/91/08/776299108.db2.gz KSEQQVIFRFSWLF-MNOVXSKESA-N 1 1 305.346 -1.284 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108537394 776299620 /nfs/dbraw/zinc/29/96/20/776299620.db2.gz OMEYIMZJRHHYFG-VHSXEESVSA-N 1 1 311.386 -1.147 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108543699 776301470 /nfs/dbraw/zinc/30/14/70/776301470.db2.gz ZTDPJROEWAHAHI-BXUZGUMPSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108567801 776304899 /nfs/dbraw/zinc/30/48/99/776304899.db2.gz BHDGGQSGBJJPHH-ZJUUUORDSA-N 1 1 324.381 -1.966 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108565881 776307077 /nfs/dbraw/zinc/30/70/77/776307077.db2.gz AXDXZKYLJPOXAT-ZJUUUORDSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108565876 776307321 /nfs/dbraw/zinc/30/73/21/776307321.db2.gz AXDXZKYLJPOXAT-NXEZZACHSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CNC(N)=O)C3)n1 ZINC001108616640 776311884 /nfs/dbraw/zinc/31/18/84/776311884.db2.gz SHVYFTBFEFYJDF-GUBZILKMSA-N 1 1 322.373 -1.653 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090420561 776312846 /nfs/dbraw/zinc/31/28/46/776312846.db2.gz OVKNLITVROTNPX-OCCSQVGLSA-N 1 1 309.366 -1.067 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100126199 776315799 /nfs/dbraw/zinc/31/57/99/776315799.db2.gz CWBWLBIRUVWDHS-UWVGGRQHSA-N 1 1 302.375 -1.762 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001108907031 776318359 /nfs/dbraw/zinc/31/83/59/776318359.db2.gz CZRYCKYPFVVEFB-WOPDTQHZSA-N 1 1 310.358 -1.597 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001109061140 776325647 /nfs/dbraw/zinc/32/56/47/776325647.db2.gz FDKCWJAMZJNVKM-KVSVUVNWSA-N 1 1 311.382 -1.006 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109110635 776326784 /nfs/dbraw/zinc/32/67/84/776326784.db2.gz WQTFVGOJIICWFT-UTLUCORTSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109109230 776326879 /nfs/dbraw/zinc/32/68/79/776326879.db2.gz JNFXIZKXFUQDPP-VWYCJHECSA-N 1 1 309.370 -1.392 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC001090423485 776326960 /nfs/dbraw/zinc/32/69/60/776326960.db2.gz QFPQCXCXMWGYDG-ZYHUDNBSSA-N 1 1 310.354 -1.177 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109111848 776327494 /nfs/dbraw/zinc/32/74/94/776327494.db2.gz QSOXUNMJWKHTCC-VOAKCMCISA-N 1 1 321.381 -1.159 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109196227 776327894 /nfs/dbraw/zinc/32/78/94/776327894.db2.gz QDTYKMACFKERNG-USZNOCQGSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109196227 776327903 /nfs/dbraw/zinc/32/79/03/776327903.db2.gz QDTYKMACFKERNG-USZNOCQGSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001109197171 776329415 /nfs/dbraw/zinc/32/94/15/776329415.db2.gz OIMHRZZUDJXFMO-VLEAKVRGSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001109197171 776329423 /nfs/dbraw/zinc/32/94/23/776329423.db2.gz OIMHRZZUDJXFMO-VLEAKVRGSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001109366553 776333535 /nfs/dbraw/zinc/33/35/35/776333535.db2.gz UHBMTWCFHRYHEY-USZNOCQGSA-N 1 1 319.427 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001109376078 776334998 /nfs/dbraw/zinc/33/49/98/776334998.db2.gz QOXAFNRXRDCUGC-NOOOWODRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001109376078 776335006 /nfs/dbraw/zinc/33/50/06/776335006.db2.gz QOXAFNRXRDCUGC-NOOOWODRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109375685 776335499 /nfs/dbraw/zinc/33/54/99/776335499.db2.gz GYCYVIHKEXKKET-RCWTZXSCSA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109375685 776335507 /nfs/dbraw/zinc/33/55/07/776335507.db2.gz GYCYVIHKEXKKET-RCWTZXSCSA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001109375513 776335756 /nfs/dbraw/zinc/33/57/56/776335756.db2.gz CBPFUWADUKIUOH-RHYQMDGZSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001109375513 776335766 /nfs/dbraw/zinc/33/57/66/776335766.db2.gz CBPFUWADUKIUOH-RHYQMDGZSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC ZINC001109375874 776336694 /nfs/dbraw/zinc/33/66/94/776336694.db2.gz LJXPPSRLHORVAY-VLEAKVRGSA-N 1 1 311.386 -1.229 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC ZINC001109375874 776336698 /nfs/dbraw/zinc/33/66/98/776336698.db2.gz LJXPPSRLHORVAY-VLEAKVRGSA-N 1 1 311.386 -1.229 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001109609591 776338400 /nfs/dbraw/zinc/33/84/00/776338400.db2.gz DGTSADQUCMSMIV-ZNSHCXBVSA-N 1 1 310.358 -1.448 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001109653002 776339841 /nfs/dbraw/zinc/33/98/41/776339841.db2.gz KFXVSDLBXMAIFW-KXNHARMFSA-N 1 1 323.397 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001109653002 776339850 /nfs/dbraw/zinc/33/98/50/776339850.db2.gz KFXVSDLBXMAIFW-KXNHARMFSA-N 1 1 323.397 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001109653006 776340988 /nfs/dbraw/zinc/34/09/88/776340988.db2.gz KFXVSDLBXMAIFW-RHYQMDGZSA-N 1 1 323.397 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001109653006 776340996 /nfs/dbraw/zinc/34/09/96/776340996.db2.gz KFXVSDLBXMAIFW-RHYQMDGZSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109764834 776341610 /nfs/dbraw/zinc/34/16/10/776341610.db2.gz MAYROPIYXHXXKR-VLEAKVRGSA-N 1 1 305.400 -1.362 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115348615 776341674 /nfs/dbraw/zinc/34/16/74/776341674.db2.gz VRVJFXMKSGMWAT-HBYGRHMLSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115348615 776341681 /nfs/dbraw/zinc/34/16/81/776341681.db2.gz VRVJFXMKSGMWAT-HBYGRHMLSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC001090429235 776342939 /nfs/dbraw/zinc/34/29/39/776342939.db2.gz BWYACVMBJHKVTD-QWRGUYRKSA-N 1 1 306.326 -1.718 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100133616 776343540 /nfs/dbraw/zinc/34/35/40/776343540.db2.gz CVEYCDOVPFKIJF-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100133616 776343553 /nfs/dbraw/zinc/34/35/53/776343553.db2.gz CVEYCDOVPFKIJF-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2cnoc2)CC1 ZINC001098459003 776343655 /nfs/dbraw/zinc/34/36/55/776343655.db2.gz PTFGDSSACLJSIU-UHFFFAOYSA-N 1 1 310.354 -1.012 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881172 776343763 /nfs/dbraw/zinc/34/37/63/776343763.db2.gz FXPKDPGLDMGUAQ-VOAKCMCISA-N 1 1 324.385 -1.208 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109878126 776344606 /nfs/dbraw/zinc/34/46/06/776344606.db2.gz IHZJKEWNVFHPIO-VWYCJHECSA-N 1 1 307.358 -1.469 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109878126 776344613 /nfs/dbraw/zinc/34/46/13/776344613.db2.gz IHZJKEWNVFHPIO-VWYCJHECSA-N 1 1 307.358 -1.469 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434122 776345633 /nfs/dbraw/zinc/34/56/33/776345633.db2.gz VIRVDQRQLGTNTA-VXGBXAGGSA-N 1 1 309.370 -1.511 20 0 DAADMO COc1coc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)cc1=O ZINC001090431812 776345968 /nfs/dbraw/zinc/34/59/68/776345968.db2.gz CVTUTEPALRNJBM-GXSJLCMTSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001090431812 776345981 /nfs/dbraw/zinc/34/59/81/776345981.db2.gz CVTUTEPALRNJBM-GXSJLCMTSA-N 1 1 312.322 -1.194 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090434117 776346872 /nfs/dbraw/zinc/34/68/72/776346872.db2.gz VIRVDQRQLGTNTA-NEPJUHHUSA-N 1 1 309.370 -1.511 20 0 DAADMO COc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001090434176 776347017 /nfs/dbraw/zinc/34/70/17/776347017.db2.gz WPVUZLZFNDKQGX-CABZTGNLSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001090434176 776347028 /nfs/dbraw/zinc/34/70/28/776347028.db2.gz WPVUZLZFNDKQGX-CABZTGNLSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)cc1=O ZINC001090434177 776347144 /nfs/dbraw/zinc/34/71/44/776347144.db2.gz WPVUZLZFNDKQGX-JOYOIKCWSA-N 1 1 311.338 -1.459 20 0 DAADMO COc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cc1=O ZINC001090434177 776347156 /nfs/dbraw/zinc/34/71/56/776347156.db2.gz WPVUZLZFNDKQGX-JOYOIKCWSA-N 1 1 311.338 -1.459 20 0 DAADMO COCCOCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100140739 776347898 /nfs/dbraw/zinc/34/78/98/776347898.db2.gz AXHHTSPMANDWDR-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110078457 776348165 /nfs/dbraw/zinc/34/81/65/776348165.db2.gz MUMROAJGJQYDGA-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110078457 776348176 /nfs/dbraw/zinc/34/81/76/776348176.db2.gz MUMROAJGJQYDGA-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110077223 776348547 /nfs/dbraw/zinc/34/85/47/776348547.db2.gz LYPBHAQWBMKUOS-RCWTZXSCSA-N 1 1 310.354 -1.312 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079566 776348691 /nfs/dbraw/zinc/34/86/91/776348691.db2.gz KDLFRPCBBMUCFY-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079566 776348699 /nfs/dbraw/zinc/34/86/99/776348699.db2.gz KDLFRPCBBMUCFY-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079368 776348825 /nfs/dbraw/zinc/34/88/25/776348825.db2.gz BJKSTTTXVJZYAL-RHYQMDGZSA-N 1 1 314.386 -1.226 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001110079817 776348951 /nfs/dbraw/zinc/34/89/51/776348951.db2.gz WQWUFYVOEKFHSG-RCWTZXSCSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001110079817 776348958 /nfs/dbraw/zinc/34/89/58/776348958.db2.gz WQWUFYVOEKFHSG-RCWTZXSCSA-N 1 1 309.370 -1.345 20 0 DAADMO COCCOCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100140738 776349398 /nfs/dbraw/zinc/34/93/98/776349398.db2.gz AXHHTSPMANDWDR-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090440969 776350212 /nfs/dbraw/zinc/35/02/12/776350212.db2.gz HZFILMMFTOOIEQ-CHWSQXEVSA-N 1 1 319.365 -1.025 20 0 DAADMO COCCOC[C@H](O)C[NH+]1CCN(C(=O)CNC(C)=O)CC1 ZINC001112599032 776350482 /nfs/dbraw/zinc/35/04/82/776350482.db2.gz RMLNUBBIVLGTCX-CYBMUJFWSA-N 1 1 317.386 -1.709 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1 ZINC001115006999 776350985 /nfs/dbraw/zinc/35/09/85/776350985.db2.gz CMSVNIDHGOTWAO-QMSLJYSESA-N 1 1 309.351 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1 ZINC001115006999 776350995 /nfs/dbraw/zinc/35/09/95/776350995.db2.gz CMSVNIDHGOTWAO-QMSLJYSESA-N 1 1 309.351 -1.002 20 0 DAADMO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)CNC(C)=O)CC1 ZINC001112599033 776351153 /nfs/dbraw/zinc/35/11/53/776351153.db2.gz RMLNUBBIVLGTCX-ZDUSSCGKSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112603095 776351235 /nfs/dbraw/zinc/35/12/35/776351235.db2.gz IAKSBHHBGBLAEH-TZMCWYRMSA-N 1 1 323.397 -1.087 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001112606651 776352419 /nfs/dbraw/zinc/35/24/19/776352419.db2.gz HHALLAJOWCYWKR-JTQLQIEISA-N 1 1 307.358 -1.422 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112627678 776353232 /nfs/dbraw/zinc/35/32/32/776353232.db2.gz UKMMLXQCQBHFAP-CQSZACIVSA-N 1 1 323.397 -1.134 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112732524 776365386 /nfs/dbraw/zinc/36/53/86/776365386.db2.gz PCOGXEIVTLGSFV-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001090442907 776366149 /nfs/dbraw/zinc/36/61/49/776366149.db2.gz UIZJYEORAYHMBH-CHWSQXEVSA-N 1 1 311.386 -1.226 20 0 DAADMO CCCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739565 776368962 /nfs/dbraw/zinc/36/89/62/776368962.db2.gz CZQYBHAHWUCFGD-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739565 776368970 /nfs/dbraw/zinc/36/89/70/776368970.db2.gz CZQYBHAHWUCFGD-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCc1nc(N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)cc(C)[nH+]1 ZINC001112752125 776371590 /nfs/dbraw/zinc/37/15/90/776371590.db2.gz ZRQKWSCTFAOSEE-NXEZZACHSA-N 1 1 307.354 -1.254 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001112770171 776373254 /nfs/dbraw/zinc/37/32/54/776373254.db2.gz DZRBJBIGSIKUIM-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112788044 776374365 /nfs/dbraw/zinc/37/43/65/776374365.db2.gz RDRKELUBSDFDPY-NWDGAFQWSA-N 1 1 324.385 -1.555 20 0 DAADMO CCNC(=O)CC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112779307 776374846 /nfs/dbraw/zinc/37/48/46/776374846.db2.gz TWVZAXHHODQNTC-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001112799612 776375487 /nfs/dbraw/zinc/37/54/87/776375487.db2.gz PKBIVAVDSTWVDM-WDEREUQCSA-N 1 1 321.385 -1.034 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001112793922 776375576 /nfs/dbraw/zinc/37/55/76/776375576.db2.gz PAYOSPKGXWHSMH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001112799611 776376030 /nfs/dbraw/zinc/37/60/30/776376030.db2.gz PKBIVAVDSTWVDM-QWRGUYRKSA-N 1 1 321.385 -1.034 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112847224 776378933 /nfs/dbraw/zinc/37/89/33/776378933.db2.gz WCMUHAORXQPZPJ-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001112848782 776380226 /nfs/dbraw/zinc/38/02/26/776380226.db2.gz USICMJAWCQOFNM-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001112854071 776380342 /nfs/dbraw/zinc/38/03/42/776380342.db2.gz VEPWZVLSLKASQV-GHMZBOCLSA-N 1 1 302.375 -1.415 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001112848982 776380380 /nfs/dbraw/zinc/38/03/80/776380380.db2.gz YWBKQYQLODGSQN-UHFFFAOYSA-N 1 1 322.431 -1.749 20 0 DAADMO CCOCCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001112864837 776381800 /nfs/dbraw/zinc/38/18/00/776381800.db2.gz FRTZRXSRMBDNCD-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)ncc1=O ZINC001090444142 776382414 /nfs/dbraw/zinc/38/24/14/776382414.db2.gz DIQGTURXLBHVLP-PWSUYJOCSA-N 1 1 310.354 -1.672 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](CCCO)CC1 ZINC001112872160 776382981 /nfs/dbraw/zinc/38/29/81/776382981.db2.gz DLKFXNSLMNRFLA-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001112912415 776384443 /nfs/dbraw/zinc/38/44/43/776384443.db2.gz APIFUOOPAAMNNR-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001112974682 776387185 /nfs/dbraw/zinc/38/71/85/776387185.db2.gz GROVTYDAMWSMMV-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001112978842 776387540 /nfs/dbraw/zinc/38/75/40/776387540.db2.gz UXQOWGFIQQREQS-AVGNSLFASA-N 1 1 302.371 -1.058 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001113030114 776389016 /nfs/dbraw/zinc/38/90/16/776389016.db2.gz LCZWODZGGBENIJ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001113030115 776389098 /nfs/dbraw/zinc/38/90/98/776389098.db2.gz LCZWODZGGBENIJ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001113030254 776389411 /nfs/dbraw/zinc/38/94/11/776389411.db2.gz RUPIOHGUVTXGNJ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001113047150 776389770 /nfs/dbraw/zinc/38/97/70/776389770.db2.gz VPFBUHUYPZUCTR-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCCC1 ZINC001114963818 776390277 /nfs/dbraw/zinc/39/02/77/776390277.db2.gz ZLAOWAVJEYIXBJ-PJXYFTJBSA-N 1 1 308.382 -1.033 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCCC1 ZINC001114963818 776390289 /nfs/dbraw/zinc/39/02/89/776390289.db2.gz ZLAOWAVJEYIXBJ-PJXYFTJBSA-N 1 1 308.382 -1.033 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100146256 776392647 /nfs/dbraw/zinc/39/26/47/776392647.db2.gz YFOKRMAVDOFNED-NEPJUHHUSA-N 1 1 312.370 -1.108 20 0 DAADMO NC(=O)C(=O)N1CCC([N@H+](CCO)Cc2ncccn2)CC1 ZINC001098464863 776394007 /nfs/dbraw/zinc/39/40/07/776394007.db2.gz KARHSNILKZQCPP-UHFFFAOYSA-N 1 1 307.354 -1.253 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)Cc2ncccn2)CC1 ZINC001098464863 776394018 /nfs/dbraw/zinc/39/40/18/776394018.db2.gz KARHSNILKZQCPP-UHFFFAOYSA-N 1 1 307.354 -1.253 20 0 DAADMO CS(=O)(=O)CC[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464546 776394302 /nfs/dbraw/zinc/39/43/02/776394302.db2.gz BCEQWRYTPSIION-UHFFFAOYSA-N 1 1 321.399 -2.198 20 0 DAADMO CS(=O)(=O)CC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464546 776394311 /nfs/dbraw/zinc/39/43/11/776394311.db2.gz BCEQWRYTPSIION-UHFFFAOYSA-N 1 1 321.399 -2.198 20 0 DAADMO CCCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465143 776395998 /nfs/dbraw/zinc/39/59/98/776395998.db2.gz YUPCUOSZQRSMJA-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464931 776396534 /nfs/dbraw/zinc/39/65/34/776396534.db2.gz MYWFDJDYLLNVNK-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001113184492 776398190 /nfs/dbraw/zinc/39/81/90/776398190.db2.gz JKQSKNWULFEVGH-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CNC(N)=O ZINC001157523022 776400917 /nfs/dbraw/zinc/40/09/17/776400917.db2.gz XABXCDOLSQBISH-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113345909 776404251 /nfs/dbraw/zinc/40/42/51/776404251.db2.gz JNRVQQIXQGWFEY-MNOVXSKESA-N 1 1 311.386 -1.477 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113345910 776404287 /nfs/dbraw/zinc/40/42/87/776404287.db2.gz JNRVQQIXQGWFEY-QWRGUYRKSA-N 1 1 311.386 -1.477 20 0 DAADMO COCC[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001113405967 776405110 /nfs/dbraw/zinc/40/51/10/776405110.db2.gz NEKYJGYUEHZUNL-NSHDSACASA-N 1 1 300.359 -1.843 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001113413351 776405338 /nfs/dbraw/zinc/40/53/38/776405338.db2.gz VHWVUCVIJUWPLS-ZDUSSCGKSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001113413350 776405816 /nfs/dbraw/zinc/40/58/16/776405816.db2.gz VHWVUCVIJUWPLS-CYBMUJFWSA-N 1 1 323.397 -1.134 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(N)=O ZINC001113405900 776405959 /nfs/dbraw/zinc/40/59/59/776405959.db2.gz IKDWVZMFPOLXJK-ONGXEEELSA-N 1 1 300.359 -2.109 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001113391381 776406127 /nfs/dbraw/zinc/40/61/27/776406127.db2.gz AQCBNNYAZUHYAV-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO COC[C@H](O)CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432056 776407251 /nfs/dbraw/zinc/40/72/51/776407251.db2.gz IPRCFZAMSZMRGE-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001113457940 776408389 /nfs/dbraw/zinc/40/83/89/776408389.db2.gz KTYLBGGKTOOQAM-NSHDSACASA-N 1 1 310.354 -1.121 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113435419 776408596 /nfs/dbraw/zinc/40/85/96/776408596.db2.gz HCJPGQJQRPQZCW-JQWIXIFHSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001113536039 776412854 /nfs/dbraw/zinc/41/28/54/776412854.db2.gz BGBCFCFZBJMQAZ-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1csnn1 ZINC001090452703 776412881 /nfs/dbraw/zinc/41/28/81/776412881.db2.gz OQINKVAYOYQSGP-KOLCDFICSA-N 1 1 323.382 -1.005 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113586657 776414509 /nfs/dbraw/zinc/41/45/09/776414509.db2.gz YAPNGXNGOOCHNN-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001113614136 776415347 /nfs/dbraw/zinc/41/53/47/776415347.db2.gz ZFNWLOOBBQYDQU-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO NC(=O)NCCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001113617273 776415361 /nfs/dbraw/zinc/41/53/61/776415361.db2.gz HFOFIGLPWSEDPS-GFCCVEGCSA-N 1 1 324.385 -1.553 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017709 776415434 /nfs/dbraw/zinc/41/54/34/776415434.db2.gz DKLBMXKZVAANAZ-IMRBUKKESA-N 1 1 324.385 -1.227 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC001113634435 776416424 /nfs/dbraw/zinc/41/64/24/776416424.db2.gz CRZHLIGDBSQMGC-SNVBAGLBSA-N 1 1 322.369 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C[C@@H](O)COC)CC2)C1 ZINC001113658044 776417376 /nfs/dbraw/zinc/41/73/76/776417376.db2.gz FDFORBNMZWWORX-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C[C@@H](O)COC)CC2)C1 ZINC001113658044 776417380 /nfs/dbraw/zinc/41/73/80/776417380.db2.gz FDFORBNMZWWORX-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679304 776417426 /nfs/dbraw/zinc/41/74/26/776417426.db2.gz MQCVVSJIIAXDCK-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679103 776417785 /nfs/dbraw/zinc/41/77/85/776417785.db2.gz BYYHPOWXEKZRII-UHFFFAOYSA-N 1 1 310.358 -1.815 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001113673508 776418079 /nfs/dbraw/zinc/41/80/79/776418079.db2.gz VRZPXBPJUGGYOJ-STQMWFEESA-N 1 1 323.397 -1.008 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n2C)CC1 ZINC001113693904 776418723 /nfs/dbraw/zinc/41/87/23/776418723.db2.gz PWDAPZSSRWEEIM-NSHDSACASA-N 1 1 312.370 -1.511 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018214 776418841 /nfs/dbraw/zinc/41/88/41/776418841.db2.gz OJLOYLSBCRTKCY-MEWQQHAOSA-N 1 1 310.358 -1.883 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113762732 776421488 /nfs/dbraw/zinc/42/14/88/776421488.db2.gz YFIMYXUHCIIPRW-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113762732 776421497 /nfs/dbraw/zinc/42/14/97/776421497.db2.gz YFIMYXUHCIIPRW-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC001113752902 776422099 /nfs/dbraw/zinc/42/20/99/776422099.db2.gz QNUKZJNRNFLXTB-GOONRYMUSA-N 1 1 312.370 -1.087 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC001113752902 776422106 /nfs/dbraw/zinc/42/21/06/776422106.db2.gz QNUKZJNRNFLXTB-GOONRYMUSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113771735 776423123 /nfs/dbraw/zinc/42/31/23/776423123.db2.gz CMZAADRPDVBHMU-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOC ZINC001113771735 776423129 /nfs/dbraw/zinc/42/31/29/776423129.db2.gz CMZAADRPDVBHMU-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791648 776424102 /nfs/dbraw/zinc/42/41/02/776424102.db2.gz XNQUWONGLGDENR-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791648 776424109 /nfs/dbraw/zinc/42/41/09/776424109.db2.gz XNQUWONGLGDENR-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113800789 776424204 /nfs/dbraw/zinc/42/42/04/776424204.db2.gz IEDXUBNHPDRAGS-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001113800789 776424213 /nfs/dbraw/zinc/42/42/13/776424213.db2.gz IEDXUBNHPDRAGS-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113813631 776424711 /nfs/dbraw/zinc/42/47/11/776424711.db2.gz VHDIVENKYCKSMF-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1ccc(=O)[nH]n1 ZINC001113809174 776425007 /nfs/dbraw/zinc/42/50/07/776425007.db2.gz CRWWVNBJWYUAAM-IWIIMEHWSA-N 1 1 308.338 -1.149 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001113810449 776425264 /nfs/dbraw/zinc/42/52/64/776425264.db2.gz ZZFWTCKLHDWFHX-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001113810449 776425266 /nfs/dbraw/zinc/42/52/66/776425266.db2.gz ZZFWTCKLHDWFHX-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001113815855 776425305 /nfs/dbraw/zinc/42/53/05/776425305.db2.gz ISTDTMOGOBTZQG-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001113815855 776425309 /nfs/dbraw/zinc/42/53/09/776425309.db2.gz ISTDTMOGOBTZQG-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnco1 ZINC001090467675 776427782 /nfs/dbraw/zinc/42/77/82/776427782.db2.gz TZSOTRQOUYUPID-MNOVXSKESA-N 1 1 323.353 -1.135 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834341 776429209 /nfs/dbraw/zinc/42/92/09/776429209.db2.gz TWCRPWVUSYJIIR-MEWQQHAOSA-N 1 1 321.385 -1.366 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834067 776429327 /nfs/dbraw/zinc/42/93/27/776429327.db2.gz OVWFQSMPTJDLSF-UUIJZJDISA-N 1 1 311.382 -1.338 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113842072 776429965 /nfs/dbraw/zinc/42/99/65/776429965.db2.gz METTVHKSLRMELA-XZUYRWCXSA-N 1 1 323.397 -1.290 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841267 776430619 /nfs/dbraw/zinc/43/06/19/776430619.db2.gz BJUXMQOLSHOKJT-XZMZPDFPSA-N 1 1 312.330 -2.716 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841267 776430625 /nfs/dbraw/zinc/43/06/25/776430625.db2.gz BJUXMQOLSHOKJT-XZMZPDFPSA-N 1 1 312.330 -2.716 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001113842630 776431504 /nfs/dbraw/zinc/43/15/04/776431504.db2.gz WRQLTUYXGAOPCO-IWIIMEHWSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854696 776431588 /nfs/dbraw/zinc/43/15/88/776431588.db2.gz MFBQZPYUFRWTON-UXCLJVHYSA-N 1 1 320.353 -1.487 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854696 776431593 /nfs/dbraw/zinc/43/15/93/776431593.db2.gz MFBQZPYUFRWTON-UXCLJVHYSA-N 1 1 320.353 -1.487 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842759 776431784 /nfs/dbraw/zinc/43/17/84/776431784.db2.gz ZALXPDAZHHOFHU-UXCLJVHYSA-N 1 1 311.386 -1.384 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001113850248 776432569 /nfs/dbraw/zinc/43/25/69/776432569.db2.gz QWOGJPGRTBHQGL-KZWBYHQPSA-N 1 1 323.397 -1.383 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)ncn1 ZINC001113850251 776432713 /nfs/dbraw/zinc/43/27/13/776432713.db2.gz QXAYFMGDKIUAOM-PJXYFTJBSA-N 1 1 304.354 -1.000 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113878665 776433281 /nfs/dbraw/zinc/43/32/81/776433281.db2.gz PATPUPGHQPSCEK-DCQANWLSSA-N 1 1 306.370 -1.151 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113869901 776434434 /nfs/dbraw/zinc/43/44/34/776434434.db2.gz AYTUYEHVEAVDGT-JYAVWHMHSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113869901 776434439 /nfs/dbraw/zinc/43/44/39/776434439.db2.gz AYTUYEHVEAVDGT-JYAVWHMHSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001113870861 776434591 /nfs/dbraw/zinc/43/45/91/776434591.db2.gz LSINFAGRNXAQCZ-SRRSOLGSSA-N 1 1 304.354 -1.397 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001113870862 776434603 /nfs/dbraw/zinc/43/46/03/776434603.db2.gz LSINFAGRNXAQCZ-XZUYRWCXSA-N 1 1 304.354 -1.397 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113871622 776434840 /nfs/dbraw/zinc/43/48/40/776434840.db2.gz YMSOJJVFCTYCIO-KZVDOYCCSA-N 1 1 318.381 -1.007 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113898813 776435667 /nfs/dbraw/zinc/43/56/67/776435667.db2.gz CGCPPGQBBYMGOP-GDGBQDQQSA-N 1 1 311.342 -2.294 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113898813 776435673 /nfs/dbraw/zinc/43/56/73/776435673.db2.gz CGCPPGQBBYMGOP-GDGBQDQQSA-N 1 1 311.342 -2.294 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)n1cccn1 ZINC001113893200 776436083 /nfs/dbraw/zinc/43/60/83/776436083.db2.gz JYQPDKIOWUGQES-UXCLJVHYSA-N 1 1 320.353 -1.315 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)n1cccn1 ZINC001113893200 776436090 /nfs/dbraw/zinc/43/60/90/776436090.db2.gz JYQPDKIOWUGQES-UXCLJVHYSA-N 1 1 320.353 -1.315 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113916527 776436590 /nfs/dbraw/zinc/43/65/90/776436590.db2.gz OZBAMZUGDLJAQM-ODXREFDESA-N 1 1 300.384 -1.021 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113916527 776436594 /nfs/dbraw/zinc/43/65/94/776436594.db2.gz OZBAMZUGDLJAQM-ODXREFDESA-N 1 1 300.384 -1.021 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113915819 776436712 /nfs/dbraw/zinc/43/67/12/776436712.db2.gz HEUPCHRZPKOVIM-URLYPYJESA-N 1 1 313.383 -1.381 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113915819 776436719 /nfs/dbraw/zinc/43/67/19/776436719.db2.gz HEUPCHRZPKOVIM-URLYPYJESA-N 1 1 313.383 -1.381 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113916528 776436901 /nfs/dbraw/zinc/43/69/01/776436901.db2.gz OZBAMZUGDLJAQM-QHOPCYEYSA-N 1 1 300.384 -1.021 20 0 DAADMO CS[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113916528 776436906 /nfs/dbraw/zinc/43/69/06/776436906.db2.gz OZBAMZUGDLJAQM-QHOPCYEYSA-N 1 1 300.384 -1.021 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)NCC1CC1 ZINC001113913904 776437009 /nfs/dbraw/zinc/43/70/09/776437009.db2.gz UATBYKMVNADOJH-SFDCQRBFSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)NCC1CC1 ZINC001113913904 776437013 /nfs/dbraw/zinc/43/70/13/776437013.db2.gz UATBYKMVNADOJH-SFDCQRBFSA-N 1 1 323.393 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113914117 776437086 /nfs/dbraw/zinc/43/70/86/776437086.db2.gz XBIVWFZCHZANFV-JZYVYDRUSA-N 1 1 306.326 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113914117 776437090 /nfs/dbraw/zinc/43/70/90/776437090.db2.gz XBIVWFZCHZANFV-JZYVYDRUSA-N 1 1 306.326 -1.475 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937679 776437850 /nfs/dbraw/zinc/43/78/50/776437850.db2.gz JTRLQPANXAZXNW-NMKXLXIOSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113944610 776438830 /nfs/dbraw/zinc/43/88/30/776438830.db2.gz GPGTXSXUBSVCFQ-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113944610 776438835 /nfs/dbraw/zinc/43/88/35/776438835.db2.gz GPGTXSXUBSVCFQ-JAKMQLQISA-N 1 1 324.366 -1.219 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113944756 776439068 /nfs/dbraw/zinc/43/90/68/776439068.db2.gz JNVORPAUBOAGFG-MTBHXBHISA-N 1 1 313.314 -2.416 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113944756 776439075 /nfs/dbraw/zinc/43/90/75/776439075.db2.gz JNVORPAUBOAGFG-MTBHXBHISA-N 1 1 313.314 -2.416 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001113946101 776439102 /nfs/dbraw/zinc/43/91/02/776439102.db2.gz ZSVADVPXEIBEDD-IAZYJMLFSA-N 1 1 301.343 -1.602 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113952287 776439934 /nfs/dbraw/zinc/43/99/34/776439934.db2.gz BMZCZGNVIYMWMM-PUHVVEEASA-N 1 1 324.381 -1.974 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113952287 776439942 /nfs/dbraw/zinc/43/99/42/776439942.db2.gz BMZCZGNVIYMWMM-PUHVVEEASA-N 1 1 324.381 -1.974 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001113969656 776439977 /nfs/dbraw/zinc/43/99/77/776439977.db2.gz ZEYAYIKOVGGERG-JYAVWHMHSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1ocnc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113954246 776440477 /nfs/dbraw/zinc/44/04/77/776440477.db2.gz WXBXEOHTVMWUSL-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1ocnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113954246 776440487 /nfs/dbraw/zinc/44/04/87/776440487.db2.gz WXBXEOHTVMWUSL-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113973488 776440910 /nfs/dbraw/zinc/44/09/10/776440910.db2.gz DDAJQHZUAUVASQ-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113973488 776440913 /nfs/dbraw/zinc/44/09/13/776440913.db2.gz DDAJQHZUAUVASQ-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)OC ZINC001114022627 776441943 /nfs/dbraw/zinc/44/19/43/776441943.db2.gz VPQANFWWBZKKCY-DNJQJEMRSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)OC ZINC001114022627 776441949 /nfs/dbraw/zinc/44/19/49/776441949.db2.gz VPQANFWWBZKKCY-DNJQJEMRSA-N 1 1 312.370 -1.087 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113990339 776442003 /nfs/dbraw/zinc/44/20/03/776442003.db2.gz NFAYHYAPMCWPLG-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113990339 776442006 /nfs/dbraw/zinc/44/20/06/776442006.db2.gz NFAYHYAPMCWPLG-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC001114003143 776442186 /nfs/dbraw/zinc/44/21/86/776442186.db2.gz UECQVZDAILPINA-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC001114003143 776442190 /nfs/dbraw/zinc/44/21/90/776442190.db2.gz UECQVZDAILPINA-DCQANWLSSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113977127 776442220 /nfs/dbraw/zinc/44/22/20/776442220.db2.gz PVECTLTUIYMVHM-SVDPJWKOSA-N 1 1 310.354 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001113977127 776442222 /nfs/dbraw/zinc/44/22/22/776442222.db2.gz PVECTLTUIYMVHM-SVDPJWKOSA-N 1 1 310.354 -1.475 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC001114003445 776442353 /nfs/dbraw/zinc/44/23/53/776442353.db2.gz ZKHHNWHQIZXTRE-IAZYJMLFSA-N 1 1 308.338 -1.078 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC001114003445 776442356 /nfs/dbraw/zinc/44/23/56/776442356.db2.gz ZKHHNWHQIZXTRE-IAZYJMLFSA-N 1 1 308.338 -1.078 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114035067 776442936 /nfs/dbraw/zinc/44/29/36/776442936.db2.gz QXZUXBPMHLVOIQ-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114035067 776442940 /nfs/dbraw/zinc/44/29/40/776442940.db2.gz QXZUXBPMHLVOIQ-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114041792 776444771 /nfs/dbraw/zinc/44/47/71/776444771.db2.gz QPKCZZAVUPTOQF-WGNDUZGJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114041792 776444774 /nfs/dbraw/zinc/44/47/74/776444774.db2.gz QPKCZZAVUPTOQF-WGNDUZGJSA-N 1 1 320.353 -1.038 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041104 776444814 /nfs/dbraw/zinc/44/48/14/776444814.db2.gz GPZKSKYRRTVVCT-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114072438 776446144 /nfs/dbraw/zinc/44/61/44/776446144.db2.gz RZLBRPNSTKUAPK-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114072438 776446149 /nfs/dbraw/zinc/44/61/49/776446149.db2.gz RZLBRPNSTKUAPK-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC001114090882 776446727 /nfs/dbraw/zinc/44/67/27/776446727.db2.gz LTHPQAFEBSLYLW-DCQANWLSSA-N 1 1 309.370 -1.209 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC001114090323 776446990 /nfs/dbraw/zinc/44/69/90/776446990.db2.gz BPLQXJUDIZLBGL-IWIIMEHWSA-N 1 1 306.370 -1.080 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC001114090323 776446995 /nfs/dbraw/zinc/44/69/95/776446995.db2.gz BPLQXJUDIZLBGL-IWIIMEHWSA-N 1 1 306.370 -1.080 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)nnn1C ZINC001114090803 776447142 /nfs/dbraw/zinc/44/71/42/776447142.db2.gz KIIDONFFVZQNBO-PJXYFTJBSA-N 1 1 309.370 -1.208 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114073940 776447281 /nfs/dbraw/zinc/44/72/81/776447281.db2.gz CHMYAPIEDWNTFX-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001114098843 776448270 /nfs/dbraw/zinc/44/82/70/776448270.db2.gz MBWLQHIRHURBPN-RBQUTUCGSA-N 1 1 304.354 -1.313 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114093369 776449567 /nfs/dbraw/zinc/44/95/67/776449567.db2.gz NZTYJFWJSWKNSR-QRJZZWFUSA-N 1 1 323.353 -3.133 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114093369 776449569 /nfs/dbraw/zinc/44/95/69/776449569.db2.gz NZTYJFWJSWKNSR-QRJZZWFUSA-N 1 1 323.353 -3.133 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001114131209 776450465 /nfs/dbraw/zinc/45/04/65/776450465.db2.gz YKJVTQCEWORJOW-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001114131209 776450470 /nfs/dbraw/zinc/45/04/70/776450470.db2.gz YKJVTQCEWORJOW-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114137076 776450514 /nfs/dbraw/zinc/45/05/14/776450514.db2.gz RMZFVBVXGSKHOO-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114137076 776450517 /nfs/dbraw/zinc/45/05/17/776450517.db2.gz RMZFVBVXGSKHOO-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO C/C=C(\C)C(=O)NC1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC001114122611 776450737 /nfs/dbraw/zinc/45/07/37/776450737.db2.gz MIACKVAZCZHJAN-ZFZIIJPJSA-N 1 1 320.393 -1.043 20 0 DAADMO C/C=C(\C)C(=O)NC1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC001114122611 776450741 /nfs/dbraw/zinc/45/07/41/776450741.db2.gz MIACKVAZCZHJAN-ZFZIIJPJSA-N 1 1 320.393 -1.043 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114147397 776451731 /nfs/dbraw/zinc/45/17/31/776451731.db2.gz XVPBRSWRBVQJEH-RFQIPJPRSA-N 1 1 313.398 -1.628 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114139751 776452061 /nfs/dbraw/zinc/45/20/61/776452061.db2.gz USGVKQSZMMKBDN-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114139751 776452066 /nfs/dbraw/zinc/45/20/66/776452066.db2.gz USGVKQSZMMKBDN-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114148666 776453331 /nfs/dbraw/zinc/45/33/31/776453331.db2.gz JYZOUJFEVYWCMO-VWFLFCASSA-N 1 1 324.381 -1.221 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114148666 776453336 /nfs/dbraw/zinc/45/33/36/776453336.db2.gz JYZOUJFEVYWCMO-VWFLFCASSA-N 1 1 324.381 -1.221 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC001114158036 776455067 /nfs/dbraw/zinc/45/50/67/776455067.db2.gz OXQWHLWJICSFKT-IAZYJMLFSA-N 1 1 306.370 -1.202 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC001114158036 776455069 /nfs/dbraw/zinc/45/50/69/776455069.db2.gz OXQWHLWJICSFKT-IAZYJMLFSA-N 1 1 306.370 -1.202 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114175437 776456312 /nfs/dbraw/zinc/45/63/12/776456312.db2.gz DJCPAXDIYILPII-XZMZPDFPSA-N 1 1 312.330 -2.716 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114175437 776456313 /nfs/dbraw/zinc/45/63/13/776456313.db2.gz DJCPAXDIYILPII-XZMZPDFPSA-N 1 1 312.330 -2.716 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175408 776456326 /nfs/dbraw/zinc/45/63/26/776456326.db2.gz CYYHIJLAGWSDTD-OHBODLIOSA-N 1 1 321.385 -1.099 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175408 776456329 /nfs/dbraw/zinc/45/63/29/776456329.db2.gz CYYHIJLAGWSDTD-OHBODLIOSA-N 1 1 321.385 -1.099 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114167605 776456376 /nfs/dbraw/zinc/45/63/76/776456376.db2.gz DLTNYIAFSHWUPU-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)co1 ZINC001114174004 776456479 /nfs/dbraw/zinc/45/64/79/776456479.db2.gz KWZBDAIVVGSNFB-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)co1 ZINC001114174004 776456486 /nfs/dbraw/zinc/45/64/86/776456486.db2.gz KWZBDAIVVGSNFB-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001114178316 776457408 /nfs/dbraw/zinc/45/74/08/776457408.db2.gz LSXZALSAHUPGDZ-FJJYHAOUSA-N 1 1 321.381 -1.574 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001114178319 776457700 /nfs/dbraw/zinc/45/77/00/776457700.db2.gz LSXZALSAHUPGDZ-UUIJZJDISA-N 1 1 321.381 -1.574 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001114180159 776458431 /nfs/dbraw/zinc/45/84/31/776458431.db2.gz FPYHEEVSKCWRKA-OZWUEAAUSA-N 1 1 318.381 -1.052 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001114182763 776459817 /nfs/dbraw/zinc/45/98/17/776459817.db2.gz SUTRDXBPDXHZGL-MEWQQHAOSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001114183051 776459895 /nfs/dbraw/zinc/45/98/95/776459895.db2.gz YUKARDCYQYYPOI-NNYUYHANSA-N 1 1 306.370 -1.014 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114187106 776460154 /nfs/dbraw/zinc/46/01/54/776460154.db2.gz OKULCVHSNPORPU-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114187106 776460159 /nfs/dbraw/zinc/46/01/59/776460159.db2.gz OKULCVHSNPORPU-IWIIMEHWSA-N 1 1 320.353 -1.796 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114203882 776460284 /nfs/dbraw/zinc/46/02/84/776460284.db2.gz KZTFUEOJFLOSPI-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114203882 776460293 /nfs/dbraw/zinc/46/02/93/776460293.db2.gz KZTFUEOJFLOSPI-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114187432 776460399 /nfs/dbraw/zinc/46/03/99/776460399.db2.gz VOYNLNYBOCUNGY-NMKXLXIOSA-N 1 1 309.370 -1.278 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114186018 776460957 /nfs/dbraw/zinc/46/09/57/776460957.db2.gz DMUIKVULOLMOTO-SRRSOLGSSA-N 1 1 304.354 -1.397 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114213310 776462206 /nfs/dbraw/zinc/46/22/06/776462206.db2.gz YMQJZLYMQNHQJS-WYOJIJJFSA-N 1 1 312.370 -1.223 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114213310 776462209 /nfs/dbraw/zinc/46/22/09/776462209.db2.gz YMQJZLYMQNHQJS-WYOJIJJFSA-N 1 1 312.370 -1.223 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)o1 ZINC001114216855 776462315 /nfs/dbraw/zinc/46/23/15/776462315.db2.gz DWFKHGYUIGALDC-YABSGUDNSA-N 1 1 310.354 -1.024 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114220642 776463328 /nfs/dbraw/zinc/46/33/28/776463328.db2.gz VHMFAKOAXHPOFI-IWIIMEHWSA-N 1 1 306.370 -1.047 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114220642 776463335 /nfs/dbraw/zinc/46/33/35/776463335.db2.gz VHMFAKOAXHPOFI-IWIIMEHWSA-N 1 1 306.370 -1.047 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114228897 776464432 /nfs/dbraw/zinc/46/44/32/776464432.db2.gz MLCGQOSIOHFJQS-RSLMWUCJSA-N 1 1 324.381 -1.399 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001114226649 776464525 /nfs/dbraw/zinc/46/45/25/776464525.db2.gz QTEHHUFOZZKSQF-SVDPJWKOSA-N 1 1 311.386 -1.514 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114225833 776464715 /nfs/dbraw/zinc/46/47/15/776464715.db2.gz BKEKCZDVJBZZMG-MEWQQHAOSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114224365 776464797 /nfs/dbraw/zinc/46/47/97/776464797.db2.gz VPIAESFXQIVEGR-MEWQQHAOSA-N 1 1 314.386 -1.641 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237106 776465578 /nfs/dbraw/zinc/46/55/78/776465578.db2.gz GOTWLUVBUAJUJL-IMSYWVGJSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237106 776465583 /nfs/dbraw/zinc/46/55/83/776465583.db2.gz GOTWLUVBUAJUJL-IMSYWVGJSA-N 1 1 320.353 -1.086 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114244866 776465824 /nfs/dbraw/zinc/46/58/24/776465824.db2.gz GLJFFPUQTXMULJ-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114244866 776465827 /nfs/dbraw/zinc/46/58/27/776465827.db2.gz GLJFFPUQTXMULJ-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114234113 776465909 /nfs/dbraw/zinc/46/59/09/776465909.db2.gz GEXVMCRADDQWQD-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114234113 776465910 /nfs/dbraw/zinc/46/59/10/776465910.db2.gz GEXVMCRADDQWQD-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114245876 776465919 /nfs/dbraw/zinc/46/59/19/776465919.db2.gz NWOWUFGCPRUPHA-JDICNCQASA-N 1 1 321.341 -2.103 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114245876 776465921 /nfs/dbraw/zinc/46/59/21/776465921.db2.gz NWOWUFGCPRUPHA-JDICNCQASA-N 1 1 321.341 -2.103 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114273456 776466877 /nfs/dbraw/zinc/46/68/77/776466877.db2.gz NAABIYFFBDOTBL-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114273456 776466882 /nfs/dbraw/zinc/46/68/82/776466882.db2.gz NAABIYFFBDOTBL-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266560 776466895 /nfs/dbraw/zinc/46/68/95/776466895.db2.gz SAFHZSXJWCWGPX-IWIIMEHWSA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266560 776466901 /nfs/dbraw/zinc/46/69/01/776466901.db2.gz SAFHZSXJWCWGPX-IWIIMEHWSA-N 1 1 309.370 -1.677 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114272757 776467085 /nfs/dbraw/zinc/46/70/85/776467085.db2.gz AFRXCCJTQJHZHI-IAZYJMLFSA-N 1 1 305.400 -1.646 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114272851 776467191 /nfs/dbraw/zinc/46/71/91/776467191.db2.gz BRQBDNRTHPEUFB-SVDPJWKOSA-N 1 1 305.400 -1.647 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)NC(N)=O ZINC001114277440 776467849 /nfs/dbraw/zinc/46/78/49/776467849.db2.gz BTQLIMZTVSLZOG-MEWQQHAOSA-N 1 1 314.386 -1.511 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)NC(N)=O ZINC001114277438 776468430 /nfs/dbraw/zinc/46/84/30/776468430.db2.gz BTQLIMZTVSLZOG-DCQANWLSSA-N 1 1 314.386 -1.511 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288343 776469144 /nfs/dbraw/zinc/46/91/44/776469144.db2.gz XEQIVOCSDUSNMF-MEWQQHAOSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287196 776469324 /nfs/dbraw/zinc/46/93/24/776469324.db2.gz GPKOQONCYRYPEB-YABSGUDNSA-N 1 1 321.385 -1.508 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287196 776469330 /nfs/dbraw/zinc/46/93/30/776469330.db2.gz GPKOQONCYRYPEB-YABSGUDNSA-N 1 1 321.385 -1.508 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114288268 776469497 /nfs/dbraw/zinc/46/94/97/776469497.db2.gz VQXJCBVYKBDQBK-PJXYFTJBSA-N 1 1 319.369 -1.754 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114295942 776469570 /nfs/dbraw/zinc/46/95/70/776469570.db2.gz GWVQNCJYRIYAOV-YABSGUDNSA-N 1 1 319.369 -1.754 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114295942 776469573 /nfs/dbraw/zinc/46/95/73/776469573.db2.gz GWVQNCJYRIYAOV-YABSGUDNSA-N 1 1 319.369 -1.754 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129406930 776469636 /nfs/dbraw/zinc/46/96/36/776469636.db2.gz CCWBMTHOIMNAGN-OLZOCXBDSA-N 1 1 310.402 -1.046 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114295748 776469738 /nfs/dbraw/zinc/46/97/38/776469738.db2.gz DNNSUHAIYXZWPO-IWIIMEHWSA-N 1 1 307.358 -1.756 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114295748 776469742 /nfs/dbraw/zinc/46/97/42/776469742.db2.gz DNNSUHAIYXZWPO-IWIIMEHWSA-N 1 1 307.358 -1.756 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129427533 776470881 /nfs/dbraw/zinc/47/08/81/776470881.db2.gz DIAFSVRFNSABQJ-ZJUUUORDSA-N 1 1 311.346 -2.330 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129427533 776470886 /nfs/dbraw/zinc/47/08/86/776470886.db2.gz DIAFSVRFNSABQJ-ZJUUUORDSA-N 1 1 311.346 -2.330 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129461576 776471041 /nfs/dbraw/zinc/47/10/41/776471041.db2.gz WQYHKKOFGXVHNF-NEPJUHHUSA-N 1 1 323.401 -1.555 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129484779 776471545 /nfs/dbraw/zinc/47/15/45/776471545.db2.gz HIRGQHGFIIBVOO-MNOVXSKESA-N 1 1 310.358 -1.733 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129484779 776471555 /nfs/dbraw/zinc/47/15/55/776471555.db2.gz HIRGQHGFIIBVOO-MNOVXSKESA-N 1 1 310.358 -1.733 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129551057 776472532 /nfs/dbraw/zinc/47/25/32/776472532.db2.gz LZFZKAKJKBCWKQ-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129551743 776472558 /nfs/dbraw/zinc/47/25/58/776472558.db2.gz WAGNILQSOCXJIJ-UHFFFAOYSA-N 1 1 324.385 -1.247 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)CN2CCOCC2=O)nn1 ZINC001129551634 776473068 /nfs/dbraw/zinc/47/30/68/776473068.db2.gz UWHZDLLEXXZFTM-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001129573731 776473485 /nfs/dbraw/zinc/47/34/85/776473485.db2.gz IBCRIJCMSGZEIG-UHFFFAOYSA-N 1 1 321.381 -1.106 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCOCC1=O)c1nncn1C ZINC001129573598 776474261 /nfs/dbraw/zinc/47/42/61/776474261.db2.gz DZUMTOUAHIKCJS-JTQLQIEISA-N 1 1 310.358 -1.559 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cnc2n[nH]nc2c1)c1nnnn1C ZINC001129577735 776475893 /nfs/dbraw/zinc/47/58/93/776475893.db2.gz BLASJSKOXMDDSR-SSDOTTSWSA-N 1 1 316.329 -1.043 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc2n(n1)CCO2)c1nnnn1C ZINC001129558052 776475955 /nfs/dbraw/zinc/47/59/55/776475955.db2.gz RNFDXYRBNWDSBR-MRVPVSSYSA-N 1 1 306.330 -1.120 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129755975 776478373 /nfs/dbraw/zinc/47/83/73/776478373.db2.gz YEGZHQMRSUAULJ-QMMMGPOBSA-N 1 1 324.345 -2.113 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ncccn1 ZINC001129751035 776478949 /nfs/dbraw/zinc/47/89/49/776478949.db2.gz SKWQKAMWWQQZDN-IUCAKERBSA-N 1 1 306.326 -1.159 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1nncn1C ZINC001129749496 776480122 /nfs/dbraw/zinc/48/01/22/776480122.db2.gz FXDKWWZHXIPEFR-YUMQZZPRSA-N 1 1 309.330 -1.820 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001129750565 776480445 /nfs/dbraw/zinc/48/04/45/776480445.db2.gz POPNZMOQCRZULO-NSHDSACASA-N 1 1 320.353 -1.367 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001129749304 776480531 /nfs/dbraw/zinc/48/05/31/776480531.db2.gz DKHHIOJXXQMNKF-VIFPVBQESA-N 1 1 323.357 -1.590 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC001129743618 776480685 /nfs/dbraw/zinc/48/06/85/776480685.db2.gz RUGMIKMTONRHFB-ZETCQYMHSA-N 1 1 312.355 -1.350 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001129814351 776481377 /nfs/dbraw/zinc/48/13/77/776481377.db2.gz PXXGPWMAIGUHJK-QMMMGPOBSA-N 1 1 306.330 -1.616 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)c1nncn1C ZINC001129825446 776483859 /nfs/dbraw/zinc/48/38/59/776483859.db2.gz GVXDFRBIRJVJQH-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)NC(N)=O ZINC001129901070 776485739 /nfs/dbraw/zinc/48/57/39/776485739.db2.gz QOSZZGWMDOPNKZ-IWSPIJDZSA-N 1 1 308.342 -1.198 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCCNC1=O ZINC001129953542 776486140 /nfs/dbraw/zinc/48/61/40/776486140.db2.gz KRLPTYJEAFGQCZ-JTQLQIEISA-N 1 1 322.369 -1.460 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001170469078 776487816 /nfs/dbraw/zinc/48/78/16/776487816.db2.gz LWLSWKXBKYSJEG-TXEJJXNPSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(Cc1ncn[nH]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130083979 776492899 /nfs/dbraw/zinc/49/28/99/776492899.db2.gz SNIJRYWFSWYGSL-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O)c1nnnn1C ZINC001130050637 776493014 /nfs/dbraw/zinc/49/30/14/776493014.db2.gz DPUCKRXBLQSEGW-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130047482 776493052 /nfs/dbraw/zinc/49/30/52/776493052.db2.gz DCRYDRJQVMSXNA-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090482233 776496095 /nfs/dbraw/zinc/49/60/95/776496095.db2.gz LSQAMBSOBXJMHW-UWVGGRQHSA-N 1 1 310.358 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090482233 776496100 /nfs/dbraw/zinc/49/61/00/776496100.db2.gz LSQAMBSOBXJMHW-UWVGGRQHSA-N 1 1 310.358 -1.634 20 0 DAADMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198421 776497030 /nfs/dbraw/zinc/49/70/30/776497030.db2.gz KGTKOMIFXZRYSF-IUCAKERBSA-N 1 1 310.358 -1.222 20 0 DAADMO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198421 776497032 /nfs/dbraw/zinc/49/70/32/776497032.db2.gz KGTKOMIFXZRYSF-IUCAKERBSA-N 1 1 310.358 -1.222 20 0 DAADMO C[C@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182614 776497188 /nfs/dbraw/zinc/49/71/88/776497188.db2.gz PILISUYCFQRDQL-OUAUKWLOSA-N 1 1 311.390 -1.304 20 0 DAADMO C[C@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nnnn1C ZINC001130182614 776497194 /nfs/dbraw/zinc/49/71/94/776497194.db2.gz PILISUYCFQRDQL-OUAUKWLOSA-N 1 1 311.390 -1.304 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1)c1nnnn1C ZINC001130205890 776497821 /nfs/dbraw/zinc/49/78/21/776497821.db2.gz ZVWOJMYMONZPEH-NOZJJQNGSA-N 1 1 309.374 -1.107 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@]1(C)CCNC(=O)C1)c1nnnn1C ZINC001130205892 776497885 /nfs/dbraw/zinc/49/78/85/776497885.db2.gz ZVWOJMYMONZPEH-TVQRCGJNSA-N 1 1 309.374 -1.107 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157936524 776499205 /nfs/dbraw/zinc/49/92/05/776499205.db2.gz HBRZINRVUAEINF-DRZSPHRISA-N 1 1 300.403 -2.062 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C(C)(C)CN1CCOCC1)C(N)=O ZINC001130231649 776499240 /nfs/dbraw/zinc/49/92/40/776499240.db2.gz AHNOAXRQPYQAMD-LLVKDONJSA-N 1 1 300.403 -1.076 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2cccnc12 ZINC001090483099 776499665 /nfs/dbraw/zinc/49/96/65/776499665.db2.gz PTAJXDKFDOUYGG-RYUDHWBXSA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090483577 776501093 /nfs/dbraw/zinc/50/10/93/776501093.db2.gz TYPVLOQSKIHVKV-QWRGUYRKSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090483577 776501095 /nfs/dbraw/zinc/50/10/95/776501095.db2.gz TYPVLOQSKIHVKV-QWRGUYRKSA-N 1 1 322.369 -1.490 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342509 776504582 /nfs/dbraw/zinc/50/45/82/776504582.db2.gz LEWNECZGZWMIGD-ZJUUUORDSA-N 1 1 324.385 -1.136 20 0 DAADMO NC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130345622 776504656 /nfs/dbraw/zinc/50/46/56/776504656.db2.gz SCKFVHVKUQARCZ-SECBINFHSA-N 1 1 310.358 -1.524 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342869 776505770 /nfs/dbraw/zinc/50/57/70/776505770.db2.gz RNOGGUBNKAVPRM-QMMMGPOBSA-N 1 1 323.357 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342869 776505775 /nfs/dbraw/zinc/50/57/75/776505775.db2.gz RNOGGUBNKAVPRM-QMMMGPOBSA-N 1 1 323.357 -2.031 20 0 DAADMO O=C(Cn1cnnn1)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130341170 776505873 /nfs/dbraw/zinc/50/58/73/776505873.db2.gz PWEORXCBTIBRAL-SNVBAGLBSA-N 1 1 320.357 -1.506 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nccs1 ZINC001130381732 776506424 /nfs/dbraw/zinc/50/64/24/776506424.db2.gz JZPDAXMOALJLAX-UHFFFAOYSA-N 1 1 313.383 -1.399 20 0 DAADMO C[C@]1(CO)CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC[C@H]1O ZINC001157946466 776506613 /nfs/dbraw/zinc/50/66/13/776506613.db2.gz NKBBPDZZASYGEJ-UMVBOHGHSA-N 1 1 314.430 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130368188 776507439 /nfs/dbraw/zinc/50/74/39/776507439.db2.gz GGOCQNPROVEQCU-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130368188 776507440 /nfs/dbraw/zinc/50/74/40/776507440.db2.gz GGOCQNPROVEQCU-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO CNC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130395467 776507450 /nfs/dbraw/zinc/50/74/50/776507450.db2.gz MFCRNDVURQVANN-JTQLQIEISA-N 1 1 324.385 -1.264 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001130384786 776508239 /nfs/dbraw/zinc/50/82/39/776508239.db2.gz OBUAKPLGXTZAEK-UHFFFAOYSA-N 1 1 311.342 -1.559 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O)n1 ZINC001130384856 776508848 /nfs/dbraw/zinc/50/88/48/776508848.db2.gz RFHOEIZDWQBHHY-UHFFFAOYSA-N 1 1 324.385 -1.639 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418208 776509585 /nfs/dbraw/zinc/50/95/85/776509585.db2.gz OFKRFWNINCMDBR-SCZZXKLOSA-N 1 1 322.369 -1.436 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418616 776509818 /nfs/dbraw/zinc/50/98/18/776509818.db2.gz TURITIITXUHEAI-SECBINFHSA-N 1 1 322.369 -1.611 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417445 776509888 /nfs/dbraw/zinc/50/98/88/776509888.db2.gz HLBUBINFXKVVMF-RKDXNWHRSA-N 1 1 322.369 -1.565 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417442 776509954 /nfs/dbraw/zinc/50/99/54/776509954.db2.gz HLBUBINFXKVVMF-BDAKNGLRSA-N 1 1 322.369 -1.565 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418206 776510077 /nfs/dbraw/zinc/51/00/77/776510077.db2.gz OFKRFWNINCMDBR-PSASIEDQSA-N 1 1 322.369 -1.436 20 0 DAADMO NC(=O)NCCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130449814 776511309 /nfs/dbraw/zinc/51/13/09/776511309.db2.gz GIXXKNURDOEZFQ-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090484514 776511563 /nfs/dbraw/zinc/51/15/63/776511563.db2.gz ZTVUNTZKRVRTNN-MNOVXSKESA-N 1 1 320.357 -1.430 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090484543 776511619 /nfs/dbraw/zinc/51/16/19/776511619.db2.gz BGIPAJZEOQXUTH-RYUDHWBXSA-N 1 1 316.377 -1.671 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090484518 776511912 /nfs/dbraw/zinc/51/19/12/776511912.db2.gz ZTVUNTZKRVRTNN-WDEREUQCSA-N 1 1 320.357 -1.430 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001090484555 776511961 /nfs/dbraw/zinc/51/19/61/776511961.db2.gz BJTYGRYUXQITEI-UWVGGRQHSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001090484555 776511966 /nfs/dbraw/zinc/51/19/66/776511966.db2.gz BJTYGRYUXQITEI-UWVGGRQHSA-N 1 1 314.317 -1.380 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090485068 776512327 /nfs/dbraw/zinc/51/23/27/776512327.db2.gz FPNRBCOLIIRJEH-UONOGXRCSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090485285 776513203 /nfs/dbraw/zinc/51/32/03/776513203.db2.gz GHELFAMDNTUJLE-ZIAGYGMSSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090485284 776513300 /nfs/dbraw/zinc/51/33/00/776513300.db2.gz GHELFAMDNTUJLE-UONOGXRCSA-N 1 1 324.425 -1.230 20 0 DAADMO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090486643 776514208 /nfs/dbraw/zinc/51/42/08/776514208.db2.gz OSARVBJXUIDBMR-UONOGXRCSA-N 1 1 324.425 -1.064 20 0 DAADMO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090486642 776514417 /nfs/dbraw/zinc/51/44/17/776514417.db2.gz OSARVBJXUIDBMR-KGLIPLIRSA-N 1 1 324.425 -1.064 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC001090486276 776514613 /nfs/dbraw/zinc/51/46/13/776514613.db2.gz MTTVRNIDOCIJKO-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130549963 776514772 /nfs/dbraw/zinc/51/47/72/776514772.db2.gz FBHKLCAICZVASR-UHFFFAOYSA-N 1 1 308.386 -1.600 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090486594 776515363 /nfs/dbraw/zinc/51/53/63/776515363.db2.gz NYONKXJDFAZKEL-MNOVXSKESA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090486594 776515368 /nfs/dbraw/zinc/51/53/68/776515368.db2.gz NYONKXJDFAZKEL-MNOVXSKESA-N 1 1 302.350 -2.061 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)co1 ZINC001130554098 776516022 /nfs/dbraw/zinc/51/60/22/776516022.db2.gz VZQWFWIRZBSHIP-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCN(C)C(=O)C1)c1nnnn1C ZINC001130554175 776516400 /nfs/dbraw/zinc/51/64/00/776516400.db2.gz YVJLEDNINGVMRL-SNVBAGLBSA-N 1 1 324.389 -2.249 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001130588152 776519187 /nfs/dbraw/zinc/51/91/87/776519187.db2.gz OGLHYUWACQSCOG-QMMMGPOBSA-N 1 1 308.346 -1.525 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1nncn1C ZINC001130588083 776519234 /nfs/dbraw/zinc/51/92/34/776519234.db2.gz MPONWSQQOGUVON-SECBINFHSA-N 1 1 308.346 -1.823 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001130611778 776521674 /nfs/dbraw/zinc/52/16/74/776521674.db2.gz IDDSNCSCPBWYRP-LBPRGKRZSA-N 1 1 323.401 -1.066 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090488016 776521738 /nfs/dbraw/zinc/52/17/38/776521738.db2.gz CEOIMQOLOJIOSE-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591161 776522316 /nfs/dbraw/zinc/52/23/16/776522316.db2.gz VDIXRIOOPQWZBX-UHFFFAOYSA-N 1 1 322.373 -1.511 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090487794 776522363 /nfs/dbraw/zinc/52/23/63/776522363.db2.gz ZXJBSOIICXRWAC-QWHCGFSZSA-N 1 1 310.398 -1.620 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090488015 776522494 /nfs/dbraw/zinc/52/24/94/776522494.db2.gz CEOIMQOLOJIOSE-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090489423 776523369 /nfs/dbraw/zinc/52/33/69/776523369.db2.gz LJDQTBNNDFCFFY-QWHCGFSZSA-N 1 1 312.414 -1.374 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090489421 776523876 /nfs/dbraw/zinc/52/38/76/776523876.db2.gz LJDQTBNNDFCFFY-CHWSQXEVSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130659061 776525085 /nfs/dbraw/zinc/52/50/85/776525085.db2.gz CETQGHZMRMEKTE-WCBMZHEXSA-N 1 1 308.342 -2.465 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2NCC(N)=O)c1 ZINC001130669903 776525134 /nfs/dbraw/zinc/52/51/34/776525134.db2.gz MKIOMZCWOSMQEN-WCQYABFASA-N 1 1 322.413 -1.259 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@H]1CCC(=O)NC1 ZINC001130702916 776527419 /nfs/dbraw/zinc/52/74/19/776527419.db2.gz YMBBNITXZBVBNI-VIFPVBQESA-N 1 1 307.358 -1.260 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCC(=O)NC1 ZINC001130702915 776527714 /nfs/dbraw/zinc/52/77/14/776527714.db2.gz YMBBNITXZBVBNI-SECBINFHSA-N 1 1 307.358 -1.260 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130751988 776528468 /nfs/dbraw/zinc/52/84/68/776528468.db2.gz NNCCODIJVSWVGC-MRVPVSSYSA-N 1 1 311.346 -1.253 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748744 776528767 /nfs/dbraw/zinc/52/87/67/776528767.db2.gz LFIHVDGDBGUVPJ-NXEZZACHSA-N 1 1 301.347 -1.464 20 0 DAADMO Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)c3cnn[nH]3)C2=O)n1 ZINC001130748717 776529488 /nfs/dbraw/zinc/52/94/88/776529488.db2.gz JWSZRZXCVHRRDE-SECBINFHSA-N 1 1 318.341 -1.337 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)c1)c1nnnn1C ZINC001130764240 776530156 /nfs/dbraw/zinc/53/01/56/776530156.db2.gz SPZHIGVXMQIDME-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cnn[nH]1 ZINC001130752334 776530655 /nfs/dbraw/zinc/53/06/55/776530655.db2.gz WOGFPWVDIFGZJZ-WDEREUQCSA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCCCC1=O)c1nnnn1C ZINC001130761893 776530920 /nfs/dbraw/zinc/53/09/20/776530920.db2.gz IMJLQTJEJPIDRP-JTQLQIEISA-N 1 1 309.374 -1.011 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130784478 776532196 /nfs/dbraw/zinc/53/21/96/776532196.db2.gz UXMHDMGXXXTJIG-UHFFFAOYSA-N 1 1 309.374 -1.081 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CCCNC2=O)nn1 ZINC001130784564 776533005 /nfs/dbraw/zinc/53/30/05/776533005.db2.gz YNASDYSKANYODO-UHFFFAOYSA-N 1 1 309.374 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn2cccnc2n1 ZINC001130801045 776534233 /nfs/dbraw/zinc/53/42/33/776534233.db2.gz XRZLWFVJBVSQRP-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001130810530 776534469 /nfs/dbraw/zinc/53/44/69/776534469.db2.gz VCPKSPSIRWTZKK-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098473194 776534669 /nfs/dbraw/zinc/53/46/69/776534669.db2.gz VRRHFDOLFIGTDB-LBPRGKRZSA-N 1 1 317.386 -1.582 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC001090495931 776538846 /nfs/dbraw/zinc/53/88/46/776538846.db2.gz KPMLFJRSALACCK-RYUDHWBXSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2O)n1 ZINC001090495931 776538850 /nfs/dbraw/zinc/53/88/50/776538850.db2.gz KPMLFJRSALACCK-RYUDHWBXSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130891865 776543244 /nfs/dbraw/zinc/54/32/44/776543244.db2.gz GFUHEIQCNPREFQ-UHFFFAOYSA-N 1 1 305.342 -1.228 20 0 DAADMO CNC(=O)C[NH2+]CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001130924121 776544135 /nfs/dbraw/zinc/54/41/35/776544135.db2.gz JOUPPAKSPLXRFX-UHFFFAOYSA-N 1 1 311.386 -1.173 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001130938923 776544739 /nfs/dbraw/zinc/54/47/39/776544739.db2.gz XINOALRXQQHEEU-UHFFFAOYSA-N 1 1 307.314 -1.719 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001130944602 776547021 /nfs/dbraw/zinc/54/70/21/776547021.db2.gz RUETXXGGVKNHPO-UHFFFAOYSA-N 1 1 321.341 -1.534 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCCCNC(N)=O)c1nnnn1C ZINC001130958483 776547061 /nfs/dbraw/zinc/54/70/61/776547061.db2.gz FKYNHDCCUSKOHQ-VIFPVBQESA-N 1 1 312.378 -1.185 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944233 776547189 /nfs/dbraw/zinc/54/71/89/776547189.db2.gz CPRGWUHXFJKYPE-UHFFFAOYSA-N 1 1 307.314 -2.017 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130987605 776548563 /nfs/dbraw/zinc/54/85/63/776548563.db2.gz HAAAZWAXSMIFGA-SNVBAGLBSA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001130991033 776549435 /nfs/dbraw/zinc/54/94/35/776549435.db2.gz ROKPQWUTXREEEP-SNVBAGLBSA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131001242 776550879 /nfs/dbraw/zinc/55/08/79/776550879.db2.gz UGVZUGMKEPDMGB-VIFPVBQESA-N 1 1 301.372 -1.544 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001131014009 776551747 /nfs/dbraw/zinc/55/17/47/776551747.db2.gz KHGDVMYPWBHTOW-LLVKDONJSA-N 1 1 309.374 -1.326 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001131014010 776552878 /nfs/dbraw/zinc/55/28/78/776552878.db2.gz KHGDVMYPWBHTOW-NSHDSACASA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCN(C(N)=O)C2)nn1 ZINC001131010750 776552948 /nfs/dbraw/zinc/55/29/48/776552948.db2.gz BBYBVNZFZMJVHA-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)o1)c1nnnn1C ZINC001131101493 776556631 /nfs/dbraw/zinc/55/66/31/776556631.db2.gz IQWDUGWXYYXLON-SSDOTTSWSA-N 1 1 307.314 -1.017 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001086660450 776558920 /nfs/dbraw/zinc/55/89/20/776558920.db2.gz QONDBZHHVRSLQZ-HBNTYKKESA-N 1 1 321.385 -1.137 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498392 776559469 /nfs/dbraw/zinc/55/94/69/776559469.db2.gz BNJVPVKCUWXWJJ-MOWSAHLDSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498392 776559480 /nfs/dbraw/zinc/55/94/80/776559480.db2.gz BNJVPVKCUWXWJJ-MOWSAHLDSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498395 776559696 /nfs/dbraw/zinc/55/96/96/776559696.db2.gz BNJVPVKCUWXWJJ-XJBAAKRRSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001090498395 776559702 /nfs/dbraw/zinc/55/97/02/776559702.db2.gz BNJVPVKCUWXWJJ-XJBAAKRRSA-N 1 1 311.382 -1.482 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498677 776560611 /nfs/dbraw/zinc/56/06/11/776560611.db2.gz DPKDLXUDBDYVKE-ZJUUUORDSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090498677 776560621 /nfs/dbraw/zinc/56/06/21/776560621.db2.gz DPKDLXUDBDYVKE-ZJUUUORDSA-N 1 1 321.341 -1.128 20 0 DAADMO NC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001131331663 776562827 /nfs/dbraw/zinc/56/28/27/776562827.db2.gz YNPYLSVQCOIFNN-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO COCC[N@@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131323045 776563464 /nfs/dbraw/zinc/56/34/64/776563464.db2.gz MQGDNEQHCVKFQL-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO COCC[N@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131323045 776563470 /nfs/dbraw/zinc/56/34/70/776563470.db2.gz MQGDNEQHCVKFQL-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO NC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131323114 776563738 /nfs/dbraw/zinc/56/37/38/776563738.db2.gz PQQJYHOAKYRFDW-UHFFFAOYSA-N 1 1 315.374 -2.312 20 0 DAADMO NC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131323114 776563746 /nfs/dbraw/zinc/56/37/46/776563746.db2.gz PQQJYHOAKYRFDW-UHFFFAOYSA-N 1 1 315.374 -2.312 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001131351218 776565657 /nfs/dbraw/zinc/56/56/57/776565657.db2.gz DJLKAULCPDBQJQ-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001131351218 776565662 /nfs/dbraw/zinc/56/56/62/776565662.db2.gz DJLKAULCPDBQJQ-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)C[C@H]2O)n1 ZINC001090500480 776569669 /nfs/dbraw/zinc/56/96/69/776569669.db2.gz OPJICOQHVNWUEU-NWDGAFQWSA-N 1 1 324.385 -1.198 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001131396979 776569733 /nfs/dbraw/zinc/56/97/33/776569733.db2.gz NJVNXKLKDPLEIQ-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519290 776571643 /nfs/dbraw/zinc/57/16/43/776571643.db2.gz CNGDMXUSKMEGMS-GLWUULTISA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520265 776573603 /nfs/dbraw/zinc/57/36/03/776573603.db2.gz WIXOICMMMNJTLG-QRJNDHJOSA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519434 776573890 /nfs/dbraw/zinc/57/38/90/776573890.db2.gz FGIFFMCRHSQCHG-AVERBVTBSA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519603 776574231 /nfs/dbraw/zinc/57/42/31/776574231.db2.gz HHOHFZYNIWUGOM-MQYJIDSJSA-N 1 1 320.397 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519865 776574786 /nfs/dbraw/zinc/57/47/86/776574786.db2.gz LREDNXTYMOZDAK-OPASDULOSA-N 1 1 322.369 -1.421 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519602 776575097 /nfs/dbraw/zinc/57/50/97/776575097.db2.gz HHOHFZYNIWUGOM-AVERBVTBSA-N 1 1 320.397 -1.116 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)c1nnnn1C ZINC001131538799 776577324 /nfs/dbraw/zinc/57/73/24/776577324.db2.gz FNJYOVZMKCYASV-MRVPVSSYSA-N 1 1 306.330 -1.616 20 0 DAADMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131631718 776579177 /nfs/dbraw/zinc/57/91/77/776579177.db2.gz IDODOCGAQNZKJP-SMDDNHRTSA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CCOCCO)C2)O1 ZINC001131677051 776581776 /nfs/dbraw/zinc/58/17/76/776581776.db2.gz IDJBJTFXMXCORJ-FZMZJTMJSA-N 1 1 315.370 -1.828 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CNC(=O)C1 ZINC001131684756 776581847 /nfs/dbraw/zinc/58/18/47/776581847.db2.gz MHJBOJFSFJNKBE-ZDUSSCGKSA-N 1 1 307.358 -1.260 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001131676965 776582039 /nfs/dbraw/zinc/58/20/39/776582039.db2.gz GUASVFSVTCKNNK-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001131676965 776582048 /nfs/dbraw/zinc/58/20/48/776582048.db2.gz GUASVFSVTCKNNK-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001131676964 776582481 /nfs/dbraw/zinc/58/24/81/776582481.db2.gz GUASVFSVTCKNNK-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001131676964 776582483 /nfs/dbraw/zinc/58/24/83/776582483.db2.gz GUASVFSVTCKNNK-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131753027 776583904 /nfs/dbraw/zinc/58/39/04/776583904.db2.gz YPCQVRKCMXMPJA-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131753027 776583906 /nfs/dbraw/zinc/58/39/06/776583906.db2.gz YPCQVRKCMXMPJA-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131698280 776583977 /nfs/dbraw/zinc/58/39/77/776583977.db2.gz XUBGLRPZIBRMMH-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131753026 776583999 /nfs/dbraw/zinc/58/39/99/776583999.db2.gz YPCQVRKCMXMPJA-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131753026 776584001 /nfs/dbraw/zinc/58/40/01/776584001.db2.gz YPCQVRKCMXMPJA-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)on1 ZINC001131769468 776585879 /nfs/dbraw/zinc/58/58/79/776585879.db2.gz SMHGWMFECSCQEN-UHFFFAOYSA-N 1 1 324.341 -1.126 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)c1nncn1C ZINC001131768920 776586079 /nfs/dbraw/zinc/58/60/79/776586079.db2.gz ITJPVQXGVSVFAW-JTQLQIEISA-N 1 1 322.373 -1.433 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)nc1 ZINC001131765618 776587974 /nfs/dbraw/zinc/58/79/74/776587974.db2.gz FMGCOQASSMYTHL-UHFFFAOYSA-N 1 1 319.369 -1.024 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C)[nH]1)S(N)(=O)=O ZINC001131777945 776589879 /nfs/dbraw/zinc/58/98/79/776589879.db2.gz ZWBJDUVUBIXQJU-VIFPVBQESA-N 1 1 318.403 -1.224 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)S(N)(=O)=O ZINC001131777724 776591364 /nfs/dbraw/zinc/59/13/64/776591364.db2.gz SSFJEVKCNNDYAM-JTQLQIEISA-N 1 1 318.403 -1.522 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nc(C)oc1C ZINC001131831750 776594329 /nfs/dbraw/zinc/59/43/29/776594329.db2.gz OTSVJJAHOHFFDL-UHFFFAOYSA-N 1 1 319.387 -1.449 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nocc1C ZINC001131831533 776594968 /nfs/dbraw/zinc/59/49/68/776594968.db2.gz HFQIWLSVDSGUNI-UHFFFAOYSA-N 1 1 305.360 -1.757 20 0 DAADMO CCO[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)[C@@H]1CCOC1 ZINC001131889020 776600042 /nfs/dbraw/zinc/60/00/42/776600042.db2.gz GFGDEDCPFDZIGD-ZYHUDNBSSA-N 1 1 312.374 -1.143 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132038827 776604044 /nfs/dbraw/zinc/60/40/44/776604044.db2.gz VBQOEMRRGHITFE-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CCO ZINC001132077469 776604436 /nfs/dbraw/zinc/60/44/36/776604436.db2.gz HTWRMEHTGAVASZ-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CCO ZINC001132077474 776604453 /nfs/dbraw/zinc/60/44/53/776604453.db2.gz HTWRMEHTGAVASZ-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CCO ZINC001132077663 776604782 /nfs/dbraw/zinc/60/47/82/776604782.db2.gz ILOGAIAGKFJUHP-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132078848 776605243 /nfs/dbraw/zinc/60/52/43/776605243.db2.gz OQNWIRMISQLXQQ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132078848 776605246 /nfs/dbraw/zinc/60/52/46/776605246.db2.gz OQNWIRMISQLXQQ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)C)C1 ZINC001132091042 776605726 /nfs/dbraw/zinc/60/57/26/776605726.db2.gz QLQJTRWUPOWUNM-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C1 ZINC001132091042 776605732 /nfs/dbraw/zinc/60/57/32/776605732.db2.gz QLQJTRWUPOWUNM-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132091463 776606151 /nfs/dbraw/zinc/60/61/51/776606151.db2.gz YHJJQCIXPOYVQD-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132091463 776606156 /nfs/dbraw/zinc/60/61/56/776606156.db2.gz YHJJQCIXPOYVQD-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132091464 776606622 /nfs/dbraw/zinc/60/66/22/776606622.db2.gz YHJJQCIXPOYVQD-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132091464 776606633 /nfs/dbraw/zinc/60/66/33/776606633.db2.gz YHJJQCIXPOYVQD-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132200712 776610883 /nfs/dbraw/zinc/61/08/83/776610883.db2.gz SWFOFXSLMBSKFI-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CCO ZINC001132202016 776610981 /nfs/dbraw/zinc/61/09/81/776610981.db2.gz AVJAMXKGSINOFL-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CCO ZINC001132202019 776611081 /nfs/dbraw/zinc/61/10/81/776611081.db2.gz AVJAMXKGSINOFL-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCF)C1 ZINC001132200030 776611859 /nfs/dbraw/zinc/61/18/59/776611859.db2.gz NUWUALZXUVVSNP-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCF)C1 ZINC001132200030 776611860 /nfs/dbraw/zinc/61/18/60/776611860.db2.gz NUWUALZXUVVSNP-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCO)C1 ZINC001132199616 776611892 /nfs/dbraw/zinc/61/18/92/776611892.db2.gz KRQFNQUKKZRFIK-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132252190 776614082 /nfs/dbraw/zinc/61/40/82/776614082.db2.gz BTMRZISBEPANJH-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C[N@H+]1CC(N)=O ZINC001132252190 776614085 /nfs/dbraw/zinc/61/40/85/776614085.db2.gz BTMRZISBEPANJH-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)s1 ZINC001132317486 776617304 /nfs/dbraw/zinc/61/73/04/776617304.db2.gz FTIZDQPVHLDHGV-UHFFFAOYSA-N 1 1 312.399 -1.516 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001132317252 776617624 /nfs/dbraw/zinc/61/76/24/776617624.db2.gz AHYHMFCLZWFWEW-UHFFFAOYSA-N 1 1 323.401 -1.434 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132318351 776619001 /nfs/dbraw/zinc/61/90/01/776619001.db2.gz WDKOWLYNDHGRHK-UHFFFAOYSA-N 1 1 308.386 -1.459 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1nnnn1C ZINC001132318250 776619119 /nfs/dbraw/zinc/61/91/19/776619119.db2.gz UACSXXQANDUDNY-VIFPVBQESA-N 1 1 310.362 -2.591 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001132320589 776620374 /nfs/dbraw/zinc/62/03/74/776620374.db2.gz KQJZGNKCWWGBAH-UHFFFAOYSA-N 1 1 323.401 -1.756 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C[N@H+]1CCO ZINC001132358334 776623566 /nfs/dbraw/zinc/62/35/66/776623566.db2.gz CLTKTGOLDZVUOX-VXGBXAGGSA-N 1 1 324.381 -1.112 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C[N@H+]1CCO ZINC001132358331 776623821 /nfs/dbraw/zinc/62/38/21/776623821.db2.gz CLTKTGOLDZVUOX-NEPJUHHUSA-N 1 1 324.381 -1.112 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)NC1=O ZINC001132387416 776625105 /nfs/dbraw/zinc/62/51/05/776625105.db2.gz SCTVGQLFGDJBIZ-SECBINFHSA-N 1 1 307.358 -1.089 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)nn2C)NC1=O ZINC001132387212 776625232 /nfs/dbraw/zinc/62/52/32/776625232.db2.gz QAZYDIJHYXIAIP-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387185 776625439 /nfs/dbraw/zinc/62/54/39/776625439.db2.gz PVWZRNCUCLRJQV-SNVBAGLBSA-N 1 1 324.389 -1.297 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)NC1=O ZINC001132382250 776626382 /nfs/dbraw/zinc/62/63/82/776626382.db2.gz GHQJXFKWOVDXKA-VIFPVBQESA-N 1 1 308.346 -1.763 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)c1nnnn1C1CC1 ZINC001132387562 776626734 /nfs/dbraw/zinc/62/67/34/776626734.db2.gz VVTTWWKJDWLHBQ-PSASIEDQSA-N 1 1 322.373 -1.202 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1)c1nnnn1C1CC1 ZINC001132387564 776626929 /nfs/dbraw/zinc/62/69/29/776626929.db2.gz VVTTWWKJDWLHBQ-WCBMZHEXSA-N 1 1 322.373 -1.202 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382234 776627043 /nfs/dbraw/zinc/62/70/43/776627043.db2.gz FRUHHJFHQOQYSQ-SNVBAGLBSA-N 1 1 309.374 -1.083 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)NC1=O ZINC001132382754 776628538 /nfs/dbraw/zinc/62/85/38/776628538.db2.gz QJJWCWSFBJHHEH-SECBINFHSA-N 1 1 323.357 -1.962 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)n2C)NC1=O ZINC001132382553 776628543 /nfs/dbraw/zinc/62/85/43/776628543.db2.gz NEQMUZKCZHRSRA-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132458141 776629509 /nfs/dbraw/zinc/62/95/09/776629509.db2.gz QFPYAWSPQCNSQU-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132519724 776629785 /nfs/dbraw/zinc/62/97/85/776629785.db2.gz JFFVFNUQUVLEJF-JTQLQIEISA-N 1 1 322.369 -1.365 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132519894 776631579 /nfs/dbraw/zinc/63/15/79/776631579.db2.gz PXKSZZBTTOTWIR-JTQLQIEISA-N 1 1 307.358 -1.165 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1C ZINC001132523457 776632012 /nfs/dbraw/zinc/63/20/12/776632012.db2.gz KDDDOYAJORFIFO-UHFFFAOYSA-N 1 1 307.362 -1.018 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2nnc3n2CCCC3)n1 ZINC001132523334 776634241 /nfs/dbraw/zinc/63/42/41/776634241.db2.gz DKOOCDMUSNTYIB-UHFFFAOYSA-N 1 1 305.346 -1.343 20 0 DAADMO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848843 776643090 /nfs/dbraw/zinc/64/30/90/776643090.db2.gz TZGMJWQMDHWAGJ-OLZOCXBDSA-N 1 1 303.403 -1.191 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001132848990 776643330 /nfs/dbraw/zinc/64/33/30/776643330.db2.gz YCULTBPHHDMJOH-CYBMUJFWSA-N 1 1 303.403 -1.190 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNCc2nnnn2C)C1 ZINC001132858715 776643408 /nfs/dbraw/zinc/64/34/08/776643408.db2.gz GGHPCEPKUPBXNG-LLVKDONJSA-N 1 1 311.390 -1.475 20 0 DAADMO CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132858608 776643574 /nfs/dbraw/zinc/64/35/74/776643574.db2.gz BMEZAUHFIXYZQA-GFCCVEGCSA-N 1 1 300.403 -1.063 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001132848369 776643709 /nfs/dbraw/zinc/64/37/09/776643709.db2.gz GPTBYVHYICJRSR-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCc3nnn(C)c3C2)n1 ZINC001132919445 776644386 /nfs/dbraw/zinc/64/43/86/776644386.db2.gz ADZHHAXCTNGEIO-JTQLQIEISA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132921380 776644411 /nfs/dbraw/zinc/64/44/11/776644411.db2.gz RNVCWXCEAIXTAC-SNVBAGLBSA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132947615 776646993 /nfs/dbraw/zinc/64/69/93/776646993.db2.gz YFBXVFUMNZMFON-UHFFFAOYSA-N 1 1 306.326 -1.045 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCCc2n[nH]nc21 ZINC001133001220 776648226 /nfs/dbraw/zinc/64/82/26/776648226.db2.gz VPSFLNXMSBTVNW-SCZZXKLOSA-N 1 1 320.353 -1.264 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCCc2n[nH]nc21 ZINC001133001221 776648310 /nfs/dbraw/zinc/64/83/10/776648310.db2.gz VPSFLNXMSBTVNW-WCBMZHEXSA-N 1 1 320.353 -1.264 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001133000966 776649318 /nfs/dbraw/zinc/64/93/18/776649318.db2.gz OUCOPVPQSZWOEI-MRVPVSSYSA-N 1 1 323.357 -1.614 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)c2c[nH]c(=O)cn2)n1C ZINC001133013521 776650474 /nfs/dbraw/zinc/65/04/74/776650474.db2.gz MOHKDUIXBYTUGE-UHFFFAOYSA-N 1 1 305.342 -1.020 20 0 DAADMO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001133040533 776650514 /nfs/dbraw/zinc/65/05/14/776650514.db2.gz VXXAQWMPMCBJHV-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1nnnn1C1CC1 ZINC001133115401 776653855 /nfs/dbraw/zinc/65/38/55/776653855.db2.gz MJNJZXMVDYXQBT-CBAPKCEASA-N 1 1 308.346 -1.544 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115984 776654756 /nfs/dbraw/zinc/65/47/56/776654756.db2.gz VBJFVCHONMOVEG-SECBINFHSA-N 1 1 310.362 -1.640 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)[nH]1 ZINC001133151917 776657532 /nfs/dbraw/zinc/65/75/32/776657532.db2.gz LSYZOACWUUEERY-UHFFFAOYSA-N 1 1 304.376 -1.612 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151946 776657587 /nfs/dbraw/zinc/65/75/87/776657587.db2.gz NJDXLQDHOMKDKX-UHFFFAOYSA-N 1 1 318.403 -1.428 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128830 776657665 /nfs/dbraw/zinc/65/76/65/776657665.db2.gz OKWHLGQWPFEDLV-JTQLQIEISA-N 1 1 309.374 -1.116 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC[NH2+]Cc1cnns1 ZINC001133152352 776657756 /nfs/dbraw/zinc/65/77/56/776657756.db2.gz YIRLHGQXKGFDQR-UHFFFAOYSA-N 1 1 307.401 -1.187 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)nn1 ZINC001133152162 776657959 /nfs/dbraw/zinc/65/79/59/776657959.db2.gz UDYLDXYOEALSMN-UHFFFAOYSA-N 1 1 304.376 -1.910 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133189029 776660818 /nfs/dbraw/zinc/66/08/18/776660818.db2.gz JUQGTLWZLBINAA-UHFFFAOYSA-N 1 1 309.374 -1.056 20 0 DAADMO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)C(N)=O)o1 ZINC001133198011 776661674 /nfs/dbraw/zinc/66/16/74/776661674.db2.gz GQJVPBKOXONAGD-UHFFFAOYSA-N 1 1 318.355 -1.779 20 0 DAADMO NC(=O)C(=O)NCC[NH2+]CC(=O)Nc1nc2c(s1)CCC2 ZINC001133193584 776661886 /nfs/dbraw/zinc/66/18/86/776661886.db2.gz WYTDWKLDFKQGIH-UHFFFAOYSA-N 1 1 311.367 -1.239 20 0 DAADMO Cc1nn2c(nc(C[NH2+]CCNC(=O)C(N)=O)cc2=O)s1 ZINC001133192340 776662140 /nfs/dbraw/zinc/66/21/40/776662140.db2.gz DDVXVIWJBRZRIH-UHFFFAOYSA-N 1 1 310.339 -1.849 20 0 DAADMO C[C@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001133294709 776664972 /nfs/dbraw/zinc/66/49/72/776664972.db2.gz QFFWVMIIOXLYFD-NSHDSACASA-N 1 1 315.418 -1.763 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)=NC1=O ZINC001133350410 776665063 /nfs/dbraw/zinc/66/50/63/776665063.db2.gz GYHFXJRGDAMZMT-JTQLQIEISA-N 1 1 308.342 -1.297 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)=NC1=O ZINC001133335285 776665400 /nfs/dbraw/zinc/66/54/00/776665400.db2.gz OHHVGAYKYQIBFE-UHFFFAOYSA-N 1 1 311.342 -1.696 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)=NC1=O ZINC001133347940 776665567 /nfs/dbraw/zinc/66/55/67/776665567.db2.gz LAPLPZKQORIVDM-UHFFFAOYSA-N 1 1 310.314 -2.003 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)=NC1=O ZINC001133350414 776665878 /nfs/dbraw/zinc/66/58/78/776665878.db2.gz GYHFXJRGDAMZMT-SNVBAGLBSA-N 1 1 308.342 -1.297 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CCC(=O)N1 ZINC001133468178 776667629 /nfs/dbraw/zinc/66/76/29/776667629.db2.gz VTCWFFODXLQQRO-AWEZNQCLSA-N 1 1 322.369 -1.317 20 0 DAADMO COC[C@H](OC)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001133516724 776669487 /nfs/dbraw/zinc/66/94/87/776669487.db2.gz DLYBGPWNSXBBFZ-JTQLQIEISA-N 1 1 313.358 -1.325 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nnnn1C ZINC001133773431 776676468 /nfs/dbraw/zinc/67/64/68/776676468.db2.gz GOIXPIVUWVWCDE-HRDYMLBCSA-N 1 1 311.346 -1.990 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nncn1C ZINC001133773533 776676566 /nfs/dbraw/zinc/67/65/66/776676566.db2.gz JDTFWZWWYKVYOQ-KXUCPTDWSA-N 1 1 310.358 -1.385 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001133773492 776676946 /nfs/dbraw/zinc/67/69/46/776676946.db2.gz HWDLNTKRMCACPH-FKTZTGRPSA-N 1 1 310.358 -1.087 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774115 776677063 /nfs/dbraw/zinc/67/70/63/776677063.db2.gz PYRMMZJRFWKEPZ-VHSXEESVSA-N 1 1 310.358 -1.463 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2nncn2C)O1 ZINC001133787518 776679172 /nfs/dbraw/zinc/67/91/72/776679172.db2.gz NWWKBFMZWGYJEW-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001133922202 776682526 /nfs/dbraw/zinc/68/25/26/776682526.db2.gz RUZOOSLPZQGCGX-WDEREUQCSA-N 1 1 321.385 -1.062 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCc1cnn(C)n1)c1nnnn1C ZINC001133917843 776682615 /nfs/dbraw/zinc/68/26/15/776682615.db2.gz HSGVGFZEOAOTCQ-VIFPVBQESA-N 1 1 307.362 -1.262 20 0 DAADMO NC(=O)c1ccc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)[nH]1 ZINC001133950982 776682902 /nfs/dbraw/zinc/68/29/02/776682902.db2.gz OKDZAJXBUDWDNQ-UHFFFAOYSA-N 1 1 318.341 -1.045 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)c1nnnn1C ZINC001133921568 776683259 /nfs/dbraw/zinc/68/32/59/776683259.db2.gz JYYMDWRUFKRSKZ-LPEHRKFASA-N 1 1 309.374 -1.299 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1nnnn1C ZINC001133936465 776683302 /nfs/dbraw/zinc/68/33/02/776683302.db2.gz OUCGYLBDEOLYBM-AEJSXWLSSA-N 1 1 309.374 -1.122 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1)c1nnnn1C ZINC001133956016 776684831 /nfs/dbraw/zinc/68/48/31/776684831.db2.gz IMCKURUGWSNQSI-ZETCQYMHSA-N 1 1 306.330 -1.282 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001133943274 776684974 /nfs/dbraw/zinc/68/49/74/776684974.db2.gz MDISGAIXLKJHGY-SFYZADRCSA-N 1 1 316.312 -1.130 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943335 776685209 /nfs/dbraw/zinc/68/52/09/776685209.db2.gz OMIBWOPDJALZHM-BDAKNGLRSA-N 1 1 309.374 -1.245 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001170716955 776686316 /nfs/dbraw/zinc/68/63/16/776686316.db2.gz AOXLWHQNNIPQLL-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170717164 776686332 /nfs/dbraw/zinc/68/63/32/776686332.db2.gz HQMRXJNNCMXUNE-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001170717250 776686389 /nfs/dbraw/zinc/68/63/89/776686389.db2.gz LSFWUCPLSCENQU-UHFFFAOYSA-N 1 1 324.370 -1.067 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134016877 776686638 /nfs/dbraw/zinc/68/66/38/776686638.db2.gz VOEFKTYNBQKXAP-LBPRGKRZSA-N 1 1 315.374 -1.533 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134016877 776686640 /nfs/dbraw/zinc/68/66/40/776686640.db2.gz VOEFKTYNBQKXAP-LBPRGKRZSA-N 1 1 315.374 -1.533 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134014102 776688431 /nfs/dbraw/zinc/68/84/31/776688431.db2.gz MMEUSRNHDUSATR-UHFFFAOYSA-N 1 1 323.357 -2.599 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170727063 776688606 /nfs/dbraw/zinc/68/86/06/776688606.db2.gz WGAKZTKZEYZTJV-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725863 776688671 /nfs/dbraw/zinc/68/86/71/776688671.db2.gz GCNPESSEPSOPRF-NSHDSACASA-N 1 1 315.374 -1.533 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001170727195 776689235 /nfs/dbraw/zinc/68/92/35/776689235.db2.gz YOGHFPNRSDISOB-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2c[nH]nn2)CCO1 ZINC001134036813 776689379 /nfs/dbraw/zinc/68/93/79/776689379.db2.gz JQKGDGGMHOOGNY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2cnn[nH]2)CCO1 ZINC001134036813 776689387 /nfs/dbraw/zinc/68/93/87/776689387.db2.gz JQKGDGGMHOOGNY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001134136497 776694601 /nfs/dbraw/zinc/69/46/01/776694601.db2.gz ZDKDYXVXGOWWSP-UHFFFAOYSA-N 1 1 320.357 -1.606 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nn(C)c(=O)[nH]1)NC(=O)c1cn(C)nn1 ZINC001134299497 776696032 /nfs/dbraw/zinc/69/60/32/776696032.db2.gz UDSCDOITEMOTHZ-IUCAKERBSA-N 1 1 322.373 -1.076 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1ncn(C)n1)[NH2+]Cc1nn(C)c(=O)[nH]1 ZINC001134301463 776696631 /nfs/dbraw/zinc/69/66/31/776696631.db2.gz CGWISISNCBYNNQ-BDAKNGLRSA-N 1 1 322.373 -1.076 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)on1 ZINC001134352007 776697655 /nfs/dbraw/zinc/69/76/55/776697655.db2.gz GTNSXCVROWTVNE-MRVPVSSYSA-N 1 1 320.371 -1.173 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)nn1C ZINC001134352680 776697859 /nfs/dbraw/zinc/69/78/59/776697859.db2.gz NBZNZPSSVQFTNV-JTQLQIEISA-N 1 1 317.415 -1.128 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)nc1 ZINC001134352041 776697950 /nfs/dbraw/zinc/69/79/50/776697950.db2.gz HONQUDGRFYSZSA-SNVBAGLBSA-N 1 1 315.399 -1.071 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001134352838 776698760 /nfs/dbraw/zinc/69/87/60/776698760.db2.gz OIMOOYLPNPRYIN-IUCAKERBSA-N 1 1 318.403 -1.480 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001134354023 776699920 /nfs/dbraw/zinc/69/99/20/776699920.db2.gz YYROUXUSQRBCFZ-VIFPVBQESA-N 1 1 303.388 -1.436 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1ncnn1 ZINC001134380285 776700845 /nfs/dbraw/zinc/70/08/45/776700845.db2.gz PXDSUQYGJWFIMO-IUCAKERBSA-N 1 1 308.350 -1.730 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)Cc2cnc[nH]2)C1=O ZINC001134400352 776702535 /nfs/dbraw/zinc/70/25/35/776702535.db2.gz LSMZYAFZZPWTPZ-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO O=C(Cc1cnc[nH]1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001134393526 776702635 /nfs/dbraw/zinc/70/26/35/776702635.db2.gz OIDMYCPYXZEVCT-UHFFFAOYSA-N 1 1 315.399 -1.307 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134397450 776702810 /nfs/dbraw/zinc/70/28/10/776702810.db2.gz NKBRCLAHPXPLBS-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO CN(CC[NH2+]CCNC(=O)Cc1cnc[nH]1)S(C)(=O)=O ZINC001134393043 776703138 /nfs/dbraw/zinc/70/31/38/776703138.db2.gz HMKDEIJGGXPPFI-UHFFFAOYSA-N 1 1 303.388 -1.451 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134396677 776703250 /nfs/dbraw/zinc/70/32/50/776703250.db2.gz CSLGHLYJTKSJRZ-LBPRGKRZSA-N 1 1 300.359 -1.318 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460535 776706060 /nfs/dbraw/zinc/70/60/60/776706060.db2.gz BYXDGEGITGHQCE-QMMMGPOBSA-N 1 1 322.329 -2.188 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134491049 776708077 /nfs/dbraw/zinc/70/80/77/776708077.db2.gz NJHVSSXGPJZHPB-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090519715 776712872 /nfs/dbraw/zinc/71/28/72/776712872.db2.gz KEOCHLBCFHZRFN-GHMZBOCLSA-N 1 1 311.338 -1.535 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)[nH]1 ZINC001134714211 776721397 /nfs/dbraw/zinc/72/13/97/776721397.db2.gz DVKRDHBLZMIOGS-UHFFFAOYSA-N 1 1 323.313 -2.260 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1cnn[nH]1 ZINC001134847983 776724670 /nfs/dbraw/zinc/72/46/70/776724670.db2.gz JZXZFCLSJLRSLH-DTWKUNHWSA-N 1 1 323.357 -1.157 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1ncnn1C)C(N)=O ZINC001134830178 776725810 /nfs/dbraw/zinc/72/58/10/776725810.db2.gz ZHGBPXYBDMCSHO-VIFPVBQESA-N 1 1 311.346 -2.599 20 0 DAADMO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001134941536 776729186 /nfs/dbraw/zinc/72/91/86/776729186.db2.gz HKQNTPDPTZLLAL-UHFFFAOYSA-N 1 1 310.358 -1.508 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)[nH]1 ZINC001134963755 776731434 /nfs/dbraw/zinc/73/14/34/776731434.db2.gz YODGKLLCYBDNJB-UHFFFAOYSA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135080340 776734426 /nfs/dbraw/zinc/73/44/26/776734426.db2.gz QTSKVBSRTOLLRN-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)n1 ZINC001135126119 776736821 /nfs/dbraw/zinc/73/68/21/776736821.db2.gz NNHKKBNRNBQACI-SNVBAGLBSA-N 1 1 316.387 -1.945 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001135126118 776737532 /nfs/dbraw/zinc/73/75/32/776737532.db2.gz NNHKKBNRNBQACI-JTQLQIEISA-N 1 1 316.387 -1.945 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2cnns2)S1(=O)=O ZINC001135135650 776738668 /nfs/dbraw/zinc/73/86/68/776738668.db2.gz ZWKGOYWINDHPOQ-VIFPVBQESA-N 1 1 319.412 -1.222 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135155578 776739868 /nfs/dbraw/zinc/73/98/68/776739868.db2.gz RGDCKGXDXGAYPS-UHFFFAOYSA-N 1 1 321.341 -1.991 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001135158969 776741041 /nfs/dbraw/zinc/74/10/41/776741041.db2.gz MAWOWCHLYNFABC-LBPRGKRZSA-N 1 1 315.399 -1.012 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1nnn(C)n1 ZINC001135213805 776742569 /nfs/dbraw/zinc/74/25/69/776742569.db2.gz BKXICPWXXLZQJS-YUMQZZPRSA-N 1 1 308.350 -1.580 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001135215552 776744551 /nfs/dbraw/zinc/74/45/51/776744551.db2.gz BKZIJIWXWZTURR-SNVBAGLBSA-N 1 1 322.369 -1.317 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CC1 ZINC001135250927 776746049 /nfs/dbraw/zinc/74/60/49/776746049.db2.gz ZBNAWGKROYUDAE-UHFFFAOYSA-N 1 1 307.358 -1.260 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276711 776746591 /nfs/dbraw/zinc/74/65/91/776746591.db2.gz HAIQRIMHJWLTCF-UHFFFAOYSA-N 1 1 323.357 -1.487 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269682 776747607 /nfs/dbraw/zinc/74/76/07/776747607.db2.gz QYXIYZMWOIJHAN-UHFFFAOYSA-N 1 1 322.369 -1.053 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)[nH]1 ZINC001135440995 776757878 /nfs/dbraw/zinc/75/78/78/776757878.db2.gz WLHNHHFKEKUUIC-UHFFFAOYSA-N 1 1 323.357 -1.314 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135440778 776758173 /nfs/dbraw/zinc/75/81/73/776758173.db2.gz QTGTWGFFSHDTMY-UHFFFAOYSA-N 1 1 323.357 -1.554 20 0 DAADMO O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001135520782 776759479 /nfs/dbraw/zinc/75/94/79/776759479.db2.gz ODNPBUHYIFITJK-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001135520782 776759484 /nfs/dbraw/zinc/75/94/84/776759484.db2.gz ODNPBUHYIFITJK-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)C[C@@H](C)O1 ZINC001135525983 776759754 /nfs/dbraw/zinc/75/97/54/776759754.db2.gz MFRRFYKKGXODKB-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)C[C@@H](C)O1 ZINC001135525983 776759759 /nfs/dbraw/zinc/75/97/59/776759759.db2.gz MFRRFYKKGXODKB-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+]Cc2nnnn2C)ccc1=O ZINC001135479564 776759929 /nfs/dbraw/zinc/75/99/29/776759929.db2.gz DFCNKSGOVVRZRO-UHFFFAOYSA-N 1 1 306.330 -1.694 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)N1CCOC[C@@H]1C1CC1 ZINC001135519843 776760045 /nfs/dbraw/zinc/76/00/45/776760045.db2.gz CFOUHNHUAGUAGB-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)N1CCOC[C@@H]1C1CC1 ZINC001135519843 776760052 /nfs/dbraw/zinc/76/00/52/776760052.db2.gz CFOUHNHUAGUAGB-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ncn[nH]1 ZINC001135529381 776761537 /nfs/dbraw/zinc/76/15/37/776761537.db2.gz QFEFWZOAUGKRSA-MNOVXSKESA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1nc[nH]n1 ZINC001135529381 776761542 /nfs/dbraw/zinc/76/15/42/776761542.db2.gz QFEFWZOAUGKRSA-MNOVXSKESA-N 1 1 313.358 -1.319 20 0 DAADMO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)CC1 ZINC001135529575 776761620 /nfs/dbraw/zinc/76/16/20/776761620.db2.gz YECJQLWKXKPUHT-UHFFFAOYSA-N 1 1 323.357 -2.185 20 0 DAADMO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)CC1 ZINC001135529575 776761624 /nfs/dbraw/zinc/76/16/24/776761624.db2.gz YECJQLWKXKPUHT-UHFFFAOYSA-N 1 1 323.357 -2.185 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001135529417 776762319 /nfs/dbraw/zinc/76/23/19/776762319.db2.gz RBRKMQKQRGPCEQ-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC[C@@H]1CCCO1 ZINC001135529417 776762324 /nfs/dbraw/zinc/76/23/24/776762324.db2.gz RBRKMQKQRGPCEQ-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2ncn[nH]2)n(C)c1=O ZINC001135529374 776762378 /nfs/dbraw/zinc/76/23/78/776762378.db2.gz PZAYJRIRNDBBDX-UHFFFAOYSA-N 1 1 307.314 -2.278 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCNC(=O)c2nc[nH]n2)n(C)c1=O ZINC001135529374 776762383 /nfs/dbraw/zinc/76/23/83/776762383.db2.gz PZAYJRIRNDBBDX-UHFFFAOYSA-N 1 1 307.314 -2.278 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nc2ncccn2n1)c1nnnn1C ZINC001135551040 776762550 /nfs/dbraw/zinc/76/25/50/776762550.db2.gz SISXKCMFOYHPDN-QMMMGPOBSA-N 1 1 316.329 -1.272 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001135668020 776765397 /nfs/dbraw/zinc/76/53/97/776765397.db2.gz HUKPBVOBOFCPDJ-UHFFFAOYSA-N 1 1 321.341 -1.227 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001135669280 776765819 /nfs/dbraw/zinc/76/58/19/776765819.db2.gz HOPMJZMDRCAOOW-UHFFFAOYSA-N 1 1 321.341 -1.227 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CCn2cnnn2)n1 ZINC001135681152 776767234 /nfs/dbraw/zinc/76/72/34/776767234.db2.gz CHHOILNSZSPXCS-UHFFFAOYSA-N 1 1 307.362 -1.111 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677544 776767711 /nfs/dbraw/zinc/76/77/11/776767711.db2.gz OAJKXKXSMOECAN-UHFFFAOYSA-N 1 1 307.362 -1.029 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn[nH]1 ZINC001135734901 776768655 /nfs/dbraw/zinc/76/86/55/776768655.db2.gz POQQKZADSGSULV-DTWKUNHWSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nc[nH]n1 ZINC001135734901 776768658 /nfs/dbraw/zinc/76/86/58/776768658.db2.gz POQQKZADSGSULV-DTWKUNHWSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCn1cnnn1 ZINC001135759578 776770438 /nfs/dbraw/zinc/77/04/38/776770438.db2.gz NUKVXCHBFHAZKH-NXEZZACHSA-N 1 1 322.377 -1.340 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1nnn(C)n1 ZINC001135759581 776771491 /nfs/dbraw/zinc/77/14/91/776771491.db2.gz NUKVXCHBFHAZKH-ZJUUUORDSA-N 1 1 322.377 -1.340 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H]1O ZINC001090525108 776772105 /nfs/dbraw/zinc/77/21/05/776772105.db2.gz KPVYIIITROWMHT-NXEZZACHSA-N 1 1 319.369 -1.030 20 0 DAADMO CC[C@]([NH3+])(CO)Nc1ncc(C(=O)OC)cc1S(N)(=O)=O ZINC001170860482 776772458 /nfs/dbraw/zinc/77/24/58/776772458.db2.gz XBMYYSJQCSWXBH-LLVKDONJSA-N 1 1 318.355 -1.015 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2cnn(C)n2)c(=O)n1 ZINC001135831787 776772704 /nfs/dbraw/zinc/77/27/04/776772704.db2.gz SAGYHWOAKJLMJI-UHFFFAOYSA-N 1 1 319.369 -1.105 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001086804077 776774197 /nfs/dbraw/zinc/77/41/97/776774197.db2.gz PQRDWQUIKUCGCY-ZDCRXTMVSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136019275 776777303 /nfs/dbraw/zinc/77/73/03/776777303.db2.gz LEPBAKFVSNWKMH-UHFFFAOYSA-N 1 1 323.279 -1.516 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)nn1 ZINC001115030075 776779768 /nfs/dbraw/zinc/77/97/68/776779768.db2.gz DXLUOBUCMSOVAX-PJXYFTJBSA-N 1 1 309.370 -1.033 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001136130274 776780650 /nfs/dbraw/zinc/78/06/50/776780650.db2.gz XEGYYLQTYMEVKW-UHFFFAOYSA-N 1 1 319.391 -2.303 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1nncn1C ZINC001136129564 776781016 /nfs/dbraw/zinc/78/10/16/776781016.db2.gz LFUOMAIEWZSSPR-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531543 776783059 /nfs/dbraw/zinc/78/30/59/776783059.db2.gz MDLMIMANWBADJE-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090531543 776783062 /nfs/dbraw/zinc/78/30/62/776783062.db2.gz MDLMIMANWBADJE-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001090532190 776783166 /nfs/dbraw/zinc/78/31/66/776783166.db2.gz AOUHELKSWPINRJ-UWVGGRQHSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001090532190 776783171 /nfs/dbraw/zinc/78/31/71/776783171.db2.gz AOUHELKSWPINRJ-UWVGGRQHSA-N 1 1 314.342 -3.118 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532120 776783357 /nfs/dbraw/zinc/78/33/57/776783357.db2.gz ABPIRYVPFQFSJX-ZJUUUORDSA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090532118 776783522 /nfs/dbraw/zinc/78/35/22/776783522.db2.gz ABPIRYVPFQFSJX-UWVGGRQHSA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532119 776783659 /nfs/dbraw/zinc/78/36/59/776783659.db2.gz ABPIRYVPFQFSJX-VHSXEESVSA-N 1 1 311.342 -1.653 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090532116 776783695 /nfs/dbraw/zinc/78/36/95/776783695.db2.gz RKEZRFUMKFOBRZ-NEPJUHHUSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090532116 776783701 /nfs/dbraw/zinc/78/37/01/776783701.db2.gz RKEZRFUMKFOBRZ-NEPJUHHUSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090532418 776784796 /nfs/dbraw/zinc/78/47/96/776784796.db2.gz RKEZRFUMKFOBRZ-RYUDHWBXSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090532418 776784802 /nfs/dbraw/zinc/78/48/02/776784802.db2.gz RKEZRFUMKFOBRZ-RYUDHWBXSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001090532458 776785456 /nfs/dbraw/zinc/78/54/56/776785456.db2.gz BKNHPQJRZQRVOG-JQWIXIFHSA-N 1 1 319.321 -1.241 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532563 776785503 /nfs/dbraw/zinc/78/55/03/776785503.db2.gz SJLUWQWQDVLNPS-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532563 776785504 /nfs/dbraw/zinc/78/55/04/776785504.db2.gz SJLUWQWQDVLNPS-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090554037 776790034 /nfs/dbraw/zinc/79/00/34/776790034.db2.gz UPJNSPFJOGNLFL-AAEUAGOBSA-N 1 1 309.366 -1.067 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090576894 776791613 /nfs/dbraw/zinc/79/16/13/776791613.db2.gz OISIKRKLJXWDAF-MNOVXSKESA-N 1 1 311.338 -1.047 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090576616 776792012 /nfs/dbraw/zinc/79/20/12/776792012.db2.gz NAWDDUKPIGRUAT-TZMCWYRMSA-N 1 1 323.397 -1.299 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090581123 776794631 /nfs/dbraw/zinc/79/46/31/776794631.db2.gz OLVSPVYULVVBIG-PWSUYJOCSA-N 1 1 324.381 -1.492 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090593004 776794645 /nfs/dbraw/zinc/79/46/45/776794645.db2.gz CMDCIURKOYDIQE-QWHCGFSZSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090593004 776794646 /nfs/dbraw/zinc/79/46/46/776794646.db2.gz CMDCIURKOYDIQE-QWHCGFSZSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccnnc1 ZINC001090589165 776794711 /nfs/dbraw/zinc/79/47/11/776794711.db2.gz JJGVCWFZQGZOPB-QWHCGFSZSA-N 1 1 317.353 -1.067 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610994 776795879 /nfs/dbraw/zinc/79/58/79/776795879.db2.gz XSYWBIVXBDQODP-NWDGAFQWSA-N 1 1 324.381 -1.343 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](O)C1 ZINC001090603956 776796065 /nfs/dbraw/zinc/79/60/65/776796065.db2.gz ABWPGNZAUYUPQV-PWSUYJOCSA-N 1 1 320.353 -1.538 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610087 776796764 /nfs/dbraw/zinc/79/67/64/776796764.db2.gz PVNYXABPQKLOTP-NEPJUHHUSA-N 1 1 324.381 -1.341 20 0 DAADMO COc1c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC001090614594 776797543 /nfs/dbraw/zinc/79/75/43/776797543.db2.gz ALKNNLIPYLIGSN-MNOVXSKESA-N 1 1 312.370 -1.106 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090612083 776797812 /nfs/dbraw/zinc/79/78/12/776797812.db2.gz KQUDMCVTONPOAX-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090612083 776797819 /nfs/dbraw/zinc/79/78/19/776797819.db2.gz KQUDMCVTONPOAX-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2cccnn21 ZINC001090631604 776798476 /nfs/dbraw/zinc/79/84/76/776798476.db2.gz UUGWAXCWHUVYCY-CMPLNLGQSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641871 776798740 /nfs/dbraw/zinc/79/87/40/776798740.db2.gz SQTXLYZNDUNQKF-NXEZZACHSA-N 1 1 301.318 -1.440 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641871 776798748 /nfs/dbraw/zinc/79/87/48/776798748.db2.gz SQTXLYZNDUNQKF-NXEZZACHSA-N 1 1 301.318 -1.440 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090631946 776799179 /nfs/dbraw/zinc/79/91/79/776799179.db2.gz YIHXOCWDLMEJHP-QWHCGFSZSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001090640771 776799532 /nfs/dbraw/zinc/79/95/32/776799532.db2.gz KEDASTWUKLETTM-MNOVXSKESA-N 1 1 321.337 -1.408 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090631947 776800144 /nfs/dbraw/zinc/80/01/44/776800144.db2.gz YIHXOCWDLMEJHP-STQMWFEESA-N 1 1 313.398 -1.211 20 0 DAADMO CC[NH+]1CCN(CCCCNC(=O)Cn2nnc(N)n2)CC1 ZINC001136648979 776800179 /nfs/dbraw/zinc/80/01/79/776800179.db2.gz FIHIPWZSJMGBHB-UHFFFAOYSA-N 1 1 310.406 -1.211 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641245 776800561 /nfs/dbraw/zinc/80/05/61/776800561.db2.gz OJAQGIYXNWOVST-QWRGUYRKSA-N 1 1 313.354 -2.027 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090631945 776801030 /nfs/dbraw/zinc/80/10/30/776801030.db2.gz YIHXOCWDLMEJHP-OLZOCXBDSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115034230 776801043 /nfs/dbraw/zinc/80/10/43/776801043.db2.gz YYUGOLKIOOMIER-WHOHXGKFSA-N 1 1 306.366 -1.553 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090643147 776802397 /nfs/dbraw/zinc/80/23/97/776802397.db2.gz DRKKIZOFANCNGE-ZYHUDNBSSA-N 1 1 320.357 -1.728 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090652294 776804324 /nfs/dbraw/zinc/80/43/24/776804324.db2.gz LVKQPUBLRIUDTI-QWRGUYRKSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090655928 776806893 /nfs/dbraw/zinc/80/68/93/776806893.db2.gz XQFFEMXJBRWHMJ-IUCAKERBSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090655928 776806898 /nfs/dbraw/zinc/80/68/98/776806898.db2.gz XQFFEMXJBRWHMJ-IUCAKERBSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090655504 776806947 /nfs/dbraw/zinc/80/69/47/776806947.db2.gz SFGYHGQXSPSCND-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090655468 776806968 /nfs/dbraw/zinc/80/69/68/776806968.db2.gz RQGZNAPXHLGNCJ-VHSXEESVSA-N 1 1 316.333 -1.551 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090655615 776808063 /nfs/dbraw/zinc/80/80/63/776808063.db2.gz SOFPNGVSQKWCNH-YPMHNXCESA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090653963 776808931 /nfs/dbraw/zinc/80/89/31/776808931.db2.gz CGXXUAMNWIZNIJ-BDAKNGLRSA-N 1 1 300.315 -2.918 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090655943 776809171 /nfs/dbraw/zinc/80/91/71/776809171.db2.gz XWNBDUXQQKYGIQ-JQWIXIFHSA-N 1 1 310.354 -1.580 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnon1 ZINC001090658768 776810332 /nfs/dbraw/zinc/81/03/32/776810332.db2.gz BCCQXAOKNCINFL-GXSJLCMTSA-N 1 1 324.341 -1.740 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001090657484 776811619 /nfs/dbraw/zinc/81/16/19/776811619.db2.gz BZSSBVVOQOPKCZ-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001090657484 776811628 /nfs/dbraw/zinc/81/16/28/776811628.db2.gz BZSSBVVOQOPKCZ-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001090657484 776811637 /nfs/dbraw/zinc/81/16/37/776811637.db2.gz BZSSBVVOQOPKCZ-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657484 776811649 /nfs/dbraw/zinc/81/16/49/776811649.db2.gz BZSSBVVOQOPKCZ-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657484 776811660 /nfs/dbraw/zinc/81/16/60/776811660.db2.gz BZSSBVVOQOPKCZ-NWDGAFQWSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)cn1 ZINC001090657598 776811880 /nfs/dbraw/zinc/81/18/80/776811880.db2.gz DAJCABUIISBPPU-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)cn1 ZINC001090657598 776811891 /nfs/dbraw/zinc/81/18/91/776811891.db2.gz DAJCABUIISBPPU-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)cn1 ZINC001090657598 776811904 /nfs/dbraw/zinc/81/19/04/776811904.db2.gz DAJCABUIISBPPU-RYUDHWBXSA-N 1 1 319.369 -1.054 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC001090658330 776812221 /nfs/dbraw/zinc/81/22/21/776812221.db2.gz WUFRAYXFZRFXIY-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001090658330 776812228 /nfs/dbraw/zinc/81/22/28/776812228.db2.gz WUFRAYXFZRFXIY-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001090658330 776812238 /nfs/dbraw/zinc/81/22/38/776812238.db2.gz WUFRAYXFZRFXIY-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC001090658368 776812560 /nfs/dbraw/zinc/81/25/60/776812560.db2.gz XMNRJDVTPGTMEN-QWRGUYRKSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC001090664984 776816048 /nfs/dbraw/zinc/81/60/48/776816048.db2.gz SRAGKHXJAQVTDV-YPMHNXCESA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090666135 776817466 /nfs/dbraw/zinc/81/74/66/776817466.db2.gz CQGWQXRGWSDWIY-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001090666135 776817477 /nfs/dbraw/zinc/81/74/77/776817477.db2.gz CQGWQXRGWSDWIY-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC001090682453 776818170 /nfs/dbraw/zinc/81/81/70/776818170.db2.gz LSVXSOAVNALPOU-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC001090682453 776818180 /nfs/dbraw/zinc/81/81/80/776818180.db2.gz LSVXSOAVNALPOU-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1)N1CCC1 ZINC001090672015 776818749 /nfs/dbraw/zinc/81/87/49/776818749.db2.gz ONMYVGHRDRZNLT-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1)N1CCC1 ZINC001090672015 776818758 /nfs/dbraw/zinc/81/87/58/776818758.db2.gz ONMYVGHRDRZNLT-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1)N1CCC1 ZINC001090672012 776818838 /nfs/dbraw/zinc/81/88/38/776818838.db2.gz ONMYVGHRDRZNLT-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](O)C1)N1CCC1 ZINC001090672012 776818847 /nfs/dbraw/zinc/81/88/47/776818847.db2.gz ONMYVGHRDRZNLT-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@H](O)C2)cn1 ZINC001090708712 776824858 /nfs/dbraw/zinc/82/48/58/776824858.db2.gz XCJNKPRZCOEVQL-NWDGAFQWSA-N 1 1 319.369 -1.168 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)[C@H](O)C2)cn1 ZINC001090708712 776824869 /nfs/dbraw/zinc/82/48/69/776824869.db2.gz XCJNKPRZCOEVQL-NWDGAFQWSA-N 1 1 319.369 -1.168 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](O)C1 ZINC001090704557 776825950 /nfs/dbraw/zinc/82/59/50/776825950.db2.gz MZMQMECYGIEBPN-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](O)C1 ZINC001090709516 776825999 /nfs/dbraw/zinc/82/59/99/776825999.db2.gz NOEGANPMDUCZOL-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090709986 776826383 /nfs/dbraw/zinc/82/63/83/776826383.db2.gz RTKBYYRDIPATKG-UWVGGRQHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090709986 776826388 /nfs/dbraw/zinc/82/63/88/776826388.db2.gz RTKBYYRDIPATKG-UWVGGRQHSA-N 1 1 316.333 -1.551 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090721513 776828741 /nfs/dbraw/zinc/82/87/41/776828741.db2.gz AGDNSYFFJFGJKZ-WPRPVWTQSA-N 1 1 306.326 -1.398 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001090722476 776829127 /nfs/dbraw/zinc/82/91/27/776829127.db2.gz MERAEYIPYLMCBA-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CC(=O)N(C)C2=O)o1 ZINC001171026934 776829529 /nfs/dbraw/zinc/82/95/29/776829529.db2.gz VICDQBLFWRXREZ-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090721510 776829550 /nfs/dbraw/zinc/82/95/50/776829550.db2.gz AGDNSYFFJFGJKZ-SCZZXKLOSA-N 1 1 306.326 -1.398 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)C1=O ZINC001090722428 776829623 /nfs/dbraw/zinc/82/96/23/776829623.db2.gz LKSUEHWAKPOWGX-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001090722428 776829627 /nfs/dbraw/zinc/82/96/27/776829627.db2.gz LKSUEHWAKPOWGX-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)C1=O ZINC001090722425 776830515 /nfs/dbraw/zinc/83/05/15/776830515.db2.gz LKSUEHWAKPOWGX-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)C1=O ZINC001090722425 776830527 /nfs/dbraw/zinc/83/05/27/776830527.db2.gz LKSUEHWAKPOWGX-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090724081 776832078 /nfs/dbraw/zinc/83/20/78/776832078.db2.gz FCUZNTOECCUJMP-KOLCDFICSA-N 1 1 320.353 -1.009 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710490 776833200 /nfs/dbraw/zinc/83/32/00/776833200.db2.gz VXMNTRDVRYEHGX-WDEREUQCSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090723933 776833440 /nfs/dbraw/zinc/83/34/40/776833440.db2.gz ZKIRKGNZDMBNFB-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090722755 776833776 /nfs/dbraw/zinc/83/37/76/776833776.db2.gz PQQCZSRXNFTQDM-QWRGUYRKSA-N 1 1 312.370 -1.160 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090724419 776834058 /nfs/dbraw/zinc/83/40/58/776834058.db2.gz IWOBNKLMPGGOHI-KOLCDFICSA-N 1 1 320.353 -1.007 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090735236 776836546 /nfs/dbraw/zinc/83/65/46/776836546.db2.gz VUHSNXPTFNPREX-CMPLNLGQSA-N 1 1 309.370 -1.300 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090734797 776836653 /nfs/dbraw/zinc/83/66/53/776836653.db2.gz QFXMZVNWUZCETN-YPMHNXCESA-N 1 1 322.365 -1.402 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090766540 776838622 /nfs/dbraw/zinc/83/86/22/776838622.db2.gz FQZLSTFKSHJEAY-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090766539 776838868 /nfs/dbraw/zinc/83/88/68/776838868.db2.gz FQZLSTFKSHJEAY-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090771282 776840752 /nfs/dbraw/zinc/84/07/52/776840752.db2.gz PYJPRKRUVWCBFN-VXGBXAGGSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@@H]3O)nn21 ZINC001090776345 776840811 /nfs/dbraw/zinc/84/08/11/776840811.db2.gz YJNYFZOJOJCBGN-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](C(C)C)C[C@@H]2O)c(=O)n1C ZINC001090769870 776841713 /nfs/dbraw/zinc/84/17/13/776841713.db2.gz GNVSBKKWZOLUKJ-RYUDHWBXSA-N 1 1 311.386 -1.150 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)n1C ZINC001090771484 776841786 /nfs/dbraw/zinc/84/17/86/776841786.db2.gz SVJPZWZSTCGBNQ-MNOVXSKESA-N 1 1 313.358 -2.566 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c(=O)n1C ZINC001090771441 776841963 /nfs/dbraw/zinc/84/19/63/776841963.db2.gz SDRDRIRHGJLMHR-QWHCGFSZSA-N 1 1 323.397 -1.148 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786548 776843279 /nfs/dbraw/zinc/84/32/79/776843279.db2.gz HIBNGURVKOFQKZ-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786548 776843289 /nfs/dbraw/zinc/84/32/89/776843289.db2.gz HIBNGURVKOFQKZ-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090788491 776843524 /nfs/dbraw/zinc/84/35/24/776843524.db2.gz YKFHMBBEDNGVNV-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090788491 776843534 /nfs/dbraw/zinc/84/35/34/776843534.db2.gz YKFHMBBEDNGVNV-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090789246 776843791 /nfs/dbraw/zinc/84/37/91/776843791.db2.gz FRDDRFPMFMWLFQ-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090791914 776844259 /nfs/dbraw/zinc/84/42/59/776844259.db2.gz XLXRMZUNJAIRKK-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090788494 776844312 /nfs/dbraw/zinc/84/43/12/776844312.db2.gz YKFHMBBEDNGVNV-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090788494 776844316 /nfs/dbraw/zinc/84/43/16/776844316.db2.gz YKFHMBBEDNGVNV-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786545 776844491 /nfs/dbraw/zinc/84/44/91/776844491.db2.gz HIBNGURVKOFQKZ-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786545 776844501 /nfs/dbraw/zinc/84/45/01/776844501.db2.gz HIBNGURVKOFQKZ-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090791959 776844660 /nfs/dbraw/zinc/84/46/60/776844660.db2.gz XWVBEOLTOKSYRZ-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)C1=O ZINC001090792621 776845177 /nfs/dbraw/zinc/84/51/77/776845177.db2.gz FYTVHGSVSWCGJT-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001090792621 776845183 /nfs/dbraw/zinc/84/51/83/776845183.db2.gz FYTVHGSVSWCGJT-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090791575 776845620 /nfs/dbraw/zinc/84/56/20/776845620.db2.gz AZPUFILWOZWJBE-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090793767 776845680 /nfs/dbraw/zinc/84/56/80/776845680.db2.gz HTUIHRYGLUCPBP-QWRGUYRKSA-N 1 1 315.395 -1.238 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090794272 776845905 /nfs/dbraw/zinc/84/59/05/776845905.db2.gz NRDRYZSREZNMKY-ZJUUUORDSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090794063 776846301 /nfs/dbraw/zinc/84/63/01/776846301.db2.gz MZECZCNPZZGNKN-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001171064824 776846567 /nfs/dbraw/zinc/84/65/67/776846567.db2.gz OIESVIZPYZIWTG-KOLCDFICSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001171064824 776846571 /nfs/dbraw/zinc/84/65/71/776846571.db2.gz OIESVIZPYZIWTG-KOLCDFICSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090794271 776846738 /nfs/dbraw/zinc/84/67/38/776846738.db2.gz NRDRYZSREZNMKY-VHSXEESVSA-N 1 1 316.333 -1.551 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001090794130 776847292 /nfs/dbraw/zinc/84/72/92/776847292.db2.gz KHIYBPWQYPVPSI-DGCLKSJQSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090794665 776847703 /nfs/dbraw/zinc/84/77/03/776847703.db2.gz RSOUICQFLHBGNZ-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC001090794679 776847877 /nfs/dbraw/zinc/84/78/77/776847877.db2.gz RTVFOHRFQUDMCS-VHSXEESVSA-N 1 1 323.353 -1.613 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090794741 776848235 /nfs/dbraw/zinc/84/82/35/776848235.db2.gz SWKGIHACXIXZTP-WDEREUQCSA-N 1 1 312.370 -1.160 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090797096 776848275 /nfs/dbraw/zinc/84/82/75/776848275.db2.gz TZCAKMBMMNOORZ-VHSXEESVSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090797096 776848281 /nfs/dbraw/zinc/84/82/81/776848281.db2.gz TZCAKMBMMNOORZ-VHSXEESVSA-N 1 1 301.318 -1.344 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090794806 776848325 /nfs/dbraw/zinc/84/83/25/776848325.db2.gz UHEOHQIKAUKCJG-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090792689 776848506 /nfs/dbraw/zinc/84/85/06/776848506.db2.gz GPTJWSQUFQANNG-ZJUUUORDSA-N 1 1 314.342 -2.528 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC001090794677 776849808 /nfs/dbraw/zinc/84/98/08/776849808.db2.gz RTVFOHRFQUDMCS-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC001090806234 776850268 /nfs/dbraw/zinc/85/02/68/776850268.db2.gz SHDOQQWDOUJKMO-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC001090806234 776850275 /nfs/dbraw/zinc/85/02/75/776850275.db2.gz SHDOQQWDOUJKMO-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090806863 776850590 /nfs/dbraw/zinc/85/05/90/776850590.db2.gz XCZICEFJLWYJMQ-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090806245 776850703 /nfs/dbraw/zinc/85/07/03/776850703.db2.gz SHDOQQWDOUJKMO-ZJUUUORDSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090806245 776850711 /nfs/dbraw/zinc/85/07/11/776850711.db2.gz SHDOQQWDOUJKMO-ZJUUUORDSA-N 1 1 314.317 -1.380 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC001136976740 776853490 /nfs/dbraw/zinc/85/34/90/776853490.db2.gz ABHWHQLDUCUBBO-XEQNPHJVSA-N 1 1 324.381 -1.064 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090808199 776853552 /nfs/dbraw/zinc/85/35/52/776853552.db2.gz HKOVINMSWPBWNC-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC001090808199 776853560 /nfs/dbraw/zinc/85/35/60/776853560.db2.gz HKOVINMSWPBWNC-CMPLNLGQSA-N 1 1 309.370 -1.327 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC001090808088 776853691 /nfs/dbraw/zinc/85/36/91/776853691.db2.gz GARXNZGNYOJYMJ-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC001090808088 776853699 /nfs/dbraw/zinc/85/36/99/776853699.db2.gz GARXNZGNYOJYMJ-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090808201 776853995 /nfs/dbraw/zinc/85/39/95/776853995.db2.gz HKOVINMSWPBWNC-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](O)C1 ZINC001090808201 776854002 /nfs/dbraw/zinc/85/40/02/776854002.db2.gz HKOVINMSWPBWNC-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090815817 776855296 /nfs/dbraw/zinc/85/52/96/776855296.db2.gz NYSCSKCBZVUXTN-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001090813977 776856898 /nfs/dbraw/zinc/85/68/98/776856898.db2.gz ZKLVGXJYSLWDNZ-JQWIXIFHSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C(N)=O ZINC001287896128 777884781 /nfs/dbraw/zinc/88/47/81/777884781.db2.gz IMBIFANHCWKZOM-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001288122594 777894396 /nfs/dbraw/zinc/89/43/96/777894396.db2.gz SHXDISIZRHKXIA-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)CS(C)(=O)=O ZINC001292553098 777934424 /nfs/dbraw/zinc/93/44/24/777934424.db2.gz BQRXIFVDRMWGRH-UHFFFAOYSA-N 1 1 302.356 -1.531 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CC(N)=O)C1 ZINC001292598479 777936937 /nfs/dbraw/zinc/93/69/37/777936937.db2.gz JTHJNAKWBNZNQG-SNVBAGLBSA-N 1 1 300.359 -1.797 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)NC1=O ZINC001292608935 777937482 /nfs/dbraw/zinc/93/74/82/777937482.db2.gz SUXOZVINAPKAGM-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)NC1=O ZINC001292608935 777937485 /nfs/dbraw/zinc/93/74/85/777937485.db2.gz SUXOZVINAPKAGM-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001292608253 777937558 /nfs/dbraw/zinc/93/75/58/777937558.db2.gz NPNIEMCWBOMXEU-SNVBAGLBSA-N 1 1 321.399 -2.016 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001292608253 777937561 /nfs/dbraw/zinc/93/75/61/777937561.db2.gz NPNIEMCWBOMXEU-SNVBAGLBSA-N 1 1 321.399 -2.016 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1nnc(N)n1 ZINC001292636442 777938425 /nfs/dbraw/zinc/93/84/25/777938425.db2.gz UXURDNXNOGDWPI-JTQLQIEISA-N 1 1 324.389 -1.686 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001292608992 777938769 /nfs/dbraw/zinc/93/87/69/777938769.db2.gz ULWVPUUTADVCQI-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001292608992 777938772 /nfs/dbraw/zinc/93/87/72/777938772.db2.gz ULWVPUUTADVCQI-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)NC1=O ZINC001292608937 777938922 /nfs/dbraw/zinc/93/89/22/777938922.db2.gz SUXOZVINAPKAGM-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)NC1=O ZINC001292608937 777938923 /nfs/dbraw/zinc/93/89/23/777938923.db2.gz SUXOZVINAPKAGM-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO Cn1cncc1CCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001292609016 777938991 /nfs/dbraw/zinc/93/89/91/777938991.db2.gz VCNKQXARTVGNNF-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1cncc1CCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001292609016 777938994 /nfs/dbraw/zinc/93/89/94/777938994.db2.gz VCNKQXARTVGNNF-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)C1(NC(N)=O)CC1 ZINC001292654312 777939742 /nfs/dbraw/zinc/93/97/42/777939742.db2.gz IPELXCYZRRCPTH-UHFFFAOYSA-N 1 1 308.342 -1.375 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001292700778 777943954 /nfs/dbraw/zinc/94/39/54/777943954.db2.gz WHGGMGUGAFQVLB-NSHDSACASA-N 1 1 324.385 -1.230 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)CN1C(=O)CCC1=O ZINC001292722484 777945013 /nfs/dbraw/zinc/94/50/13/777945013.db2.gz FTDFCYXKVABUHD-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)CN1C(=O)CCC1=O ZINC001292722401 777945476 /nfs/dbraw/zinc/94/54/76/777945476.db2.gz CAQFUGOYQJUGRZ-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001292767480 777946435 /nfs/dbraw/zinc/94/64/35/777946435.db2.gz KDHDJWWZMPUCAK-JTQLQIEISA-N 1 1 323.353 -1.867 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001292767936 777947213 /nfs/dbraw/zinc/94/72/13/777947213.db2.gz MSYKUXICMBKGGT-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001292768582 777947507 /nfs/dbraw/zinc/94/75/07/777947507.db2.gz WVXQCFGVYBXDPP-VIFPVBQESA-N 1 1 321.403 -2.776 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cncn2C)C1 ZINC001292815456 777948586 /nfs/dbraw/zinc/94/85/86/777948586.db2.gz MVDCGOOPFMHGJR-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cncn2C)C1 ZINC001292815456 777948595 /nfs/dbraw/zinc/94/85/95/777948595.db2.gz MVDCGOOPFMHGJR-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nonc2C)C1 ZINC001292817239 777949882 /nfs/dbraw/zinc/94/98/82/777949882.db2.gz ZQPQFLXTSRCPDJ-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nonc2C)C1 ZINC001292817239 777949893 /nfs/dbraw/zinc/94/98/93/777949893.db2.gz ZQPQFLXTSRCPDJ-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001292981156 777957307 /nfs/dbraw/zinc/95/73/07/777957307.db2.gz ZNNYXBJLLYHTMS-UHFFFAOYSA-N 1 1 321.337 -1.523 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)CN1C(=O)CNC1=O ZINC001293027928 777958647 /nfs/dbraw/zinc/95/86/47/777958647.db2.gz LQTIPZSCYZFRHG-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO Cc1nn(CC(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)c(=O)n1C ZINC001293040035 777960100 /nfs/dbraw/zinc/96/01/00/777960100.db2.gz OGSQSOHLJIVNAL-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)CS(C)(=O)=O ZINC001293178914 777964518 /nfs/dbraw/zinc/96/45/18/777964518.db2.gz KFTXXACSNDUREZ-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)CCNC(N)=O ZINC001293309294 777966858 /nfs/dbraw/zinc/96/68/58/777966858.db2.gz LAGLUCWMFLBGON-UHFFFAOYSA-N 1 1 310.358 -1.128 20 0 DAADMO CN1C[C@@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)NC1=O ZINC001293334474 777968754 /nfs/dbraw/zinc/96/87/54/777968754.db2.gz SWYTWUFFRUXDKB-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)c1nnn(C)n1 ZINC001293484800 777971340 /nfs/dbraw/zinc/97/13/40/777971340.db2.gz VVKZMDFGSASOQM-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001293994740 777977498 /nfs/dbraw/zinc/97/74/98/777977498.db2.gz HCZGKHCBUQKOEN-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCCNC(=O)c1nnn(C)n1 ZINC001294250108 777981496 /nfs/dbraw/zinc/98/14/96/777981496.db2.gz BDYCVNCILWLZQG-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO CN(CCCNC(=O)C(N)=O)C(=O)c1cc(C[NH+](C)C)on1 ZINC001294283619 777981937 /nfs/dbraw/zinc/98/19/37/777981937.db2.gz HOHUOUQKHPNRJU-UHFFFAOYSA-N 1 1 311.342 -1.200 20 0 DAADMO O=C(Cn1ncnn1)N1CC[NH+](CCCNC(=O)C2CC2)CC1 ZINC001294651996 777986257 /nfs/dbraw/zinc/98/62/57/777986257.db2.gz DYHAUSLFLGJBBN-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO NC(=O)C(=O)NC[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001294929235 777992691 /nfs/dbraw/zinc/99/26/91/777992691.db2.gz IHFRMMXXWILCPT-LLVKDONJSA-N 1 1 312.370 -1.795 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001295187248 777997533 /nfs/dbraw/zinc/99/75/33/777997533.db2.gz XZLTUQZBACGFRA-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001295187248 777997542 /nfs/dbraw/zinc/99/75/42/777997542.db2.gz XZLTUQZBACGFRA-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001295187251 777997953 /nfs/dbraw/zinc/99/79/53/777997953.db2.gz XZLTUQZBACGFRA-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001295187251 777997958 /nfs/dbraw/zinc/99/79/58/777997958.db2.gz XZLTUQZBACGFRA-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001295449474 778003866 /nfs/dbraw/zinc/00/38/66/778003866.db2.gz LVAOWFJSTMLSIU-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001295740371 778012657 /nfs/dbraw/zinc/01/26/57/778012657.db2.gz PGRYMIPIYIDMQM-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001296113657 778018973 /nfs/dbraw/zinc/01/89/73/778018973.db2.gz JATOANHDLIGHJJ-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001296113657 778018984 /nfs/dbraw/zinc/01/89/84/778018984.db2.gz JATOANHDLIGHJJ-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(=O)CC(N)=O ZINC001296311873 778024133 /nfs/dbraw/zinc/02/41/33/778024133.db2.gz LNOPBUCMMPZNQB-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(=O)CC(N)=O ZINC001296311873 778024142 /nfs/dbraw/zinc/02/41/42/778024142.db2.gz LNOPBUCMMPZNQB-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO NC(=O)C1(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001297128706 778039541 /nfs/dbraw/zinc/03/95/41/778039541.db2.gz MHJYDOOJUMOLJH-UHFFFAOYSA-N 1 1 324.381 -1.699 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001297578202 778049227 /nfs/dbraw/zinc/04/92/27/778049227.db2.gz ZEAVNLKLIPFJQT-GXSJLCMTSA-N 1 1 308.404 -2.046 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001298052417 778056323 /nfs/dbraw/zinc/05/63/23/778056323.db2.gz QPGKNIHOKVLVIF-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001298052417 778056335 /nfs/dbraw/zinc/05/63/35/778056335.db2.gz QPGKNIHOKVLVIF-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001298181450 778063665 /nfs/dbraw/zinc/06/36/65/778063665.db2.gz BLWRXUQYEWEALW-ZJUUUORDSA-N 1 1 300.359 -2.062 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001298184867 778065762 /nfs/dbraw/zinc/06/57/62/778065762.db2.gz NKFQBYTZCMJKLF-SNVBAGLBSA-N 1 1 323.353 -1.950 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001298201052 778066542 /nfs/dbraw/zinc/06/65/42/778066542.db2.gz RFIXPOBQUVLMHO-LPEHRKFASA-N 1 1 300.359 -2.205 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001298201051 778067434 /nfs/dbraw/zinc/06/74/34/778067434.db2.gz RFIXPOBQUVLMHO-GUBZILKMSA-N 1 1 300.359 -2.205 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)C2 ZINC001298205345 778068188 /nfs/dbraw/zinc/06/81/88/778068188.db2.gz RPDBKMQPFSPDJV-ONGXEEELSA-N 1 1 323.353 -2.167 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)CS(C)(=O)=O ZINC001298293080 778070696 /nfs/dbraw/zinc/07/06/96/778070696.db2.gz PINUVQSZSHDXQE-BYCRGOAPSA-N 1 1 317.411 -1.086 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)CN1CN=NC1=O ZINC001298313067 778071338 /nfs/dbraw/zinc/07/13/38/778071338.db2.gz SLHYCWUGXOULEU-VUDBWIFFSA-N 1 1 322.369 -1.134 20 0 DAADMO CNC(=O)CC(=O)NC/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001298332171 778072526 /nfs/dbraw/zinc/07/25/26/778072526.db2.gz DOFVDGAEXRUMDF-DLRQAJBASA-N 1 1 312.370 -1.758 20 0 DAADMO CNC(=O)CC(=O)NC/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001298332171 778072534 /nfs/dbraw/zinc/07/25/34/778072534.db2.gz DOFVDGAEXRUMDF-DLRQAJBASA-N 1 1 312.370 -1.758 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001298321206 778072591 /nfs/dbraw/zinc/07/25/91/778072591.db2.gz RFGCBIWTJUVARA-DLRQAJBASA-N 1 1 312.370 -1.629 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001298321206 778072601 /nfs/dbraw/zinc/07/26/01/778072601.db2.gz RFGCBIWTJUVARA-DLRQAJBASA-N 1 1 312.370 -1.629 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001298321209 778072730 /nfs/dbraw/zinc/07/27/30/778072730.db2.gz RFGCBIWTJUVARA-PGLGOXFNSA-N 1 1 312.370 -1.629 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001298321209 778072739 /nfs/dbraw/zinc/07/27/39/778072739.db2.gz RFGCBIWTJUVARA-PGLGOXFNSA-N 1 1 312.370 -1.629 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC001298438383 778074995 /nfs/dbraw/zinc/07/49/95/778074995.db2.gz SDRHHVXUUKLBBC-NSHDSACASA-N 1 1 309.370 -1.710 20 0 DAADMO CCNC(=O)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001298572957 778080403 /nfs/dbraw/zinc/08/04/03/778080403.db2.gz AHHIDWXJSUXCSJ-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CCNC(=O)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001298572957 778080411 /nfs/dbraw/zinc/08/04/11/778080411.db2.gz AHHIDWXJSUXCSJ-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C(C)(C)C(N)=O ZINC001298621181 778081528 /nfs/dbraw/zinc/08/15/28/778081528.db2.gz LHHCSHDYAUOGAK-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C(C)(C)C(N)=O ZINC001298621181 778081536 /nfs/dbraw/zinc/08/15/36/778081536.db2.gz LHHCSHDYAUOGAK-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)C2 ZINC001298881368 778087988 /nfs/dbraw/zinc/08/79/88/778087988.db2.gz ZCTSBNISUSBMFZ-WCBMZHEXSA-N 1 1 307.354 -1.140 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001302503830 778096685 /nfs/dbraw/zinc/09/66/85/778096685.db2.gz NINFZALSCZTZBL-UFBFGSQYSA-N 1 1 300.315 -2.558 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)CCOCCO ZINC001303015326 778097542 /nfs/dbraw/zinc/09/75/42/778097542.db2.gz JAMZLYKAXLMTRQ-NEPJUHHUSA-N 1 1 301.387 -1.055 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC001307732322 778102040 /nfs/dbraw/zinc/10/20/40/778102040.db2.gz RUHXMMUTRUKKNE-AMIZOPFISA-N 1 1 309.326 -1.399 20 0 DAADMO C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001307461473 778102127 /nfs/dbraw/zinc/10/21/27/778102127.db2.gz NFHDCYALDYOESW-QWRGUYRKSA-N 1 1 313.354 -1.979 20 0 DAADMO C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001307461474 778102137 /nfs/dbraw/zinc/10/21/37/778102137.db2.gz NFHDCYALDYOESW-WDEREUQCSA-N 1 1 313.354 -1.979 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC001307732323 778102412 /nfs/dbraw/zinc/10/24/12/778102412.db2.gz RUHXMMUTRUKKNE-ISVAXAHUSA-N 1 1 309.326 -1.399 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@](C)(O)C(=O)OC)C[C@H]1C(=O)OC ZINC001308154653 778103286 /nfs/dbraw/zinc/10/32/86/778103286.db2.gz YIRMUKBDRVJTCZ-RWEMILLDSA-N 1 1 303.311 -1.196 20 0 DAADMO COCCCn1nccc1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001308882156 778103444 /nfs/dbraw/zinc/10/34/44/778103444.db2.gz DITYVFRWOWJTBS-TXEJJXNPSA-N 1 1 309.370 -1.062 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC001119564140 779508978 /nfs/dbraw/zinc/50/89/78/779508978.db2.gz IULHNXFQFGVAHD-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC001119564140 779508981 /nfs/dbraw/zinc/50/89/81/779508981.db2.gz IULHNXFQFGVAHD-SNVBAGLBSA-N 1 1 300.359 -1.277 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)CC1 ZINC001119697292 779510143 /nfs/dbraw/zinc/51/01/43/779510143.db2.gz JSCYKEQUUZYULV-NEPJUHHUSA-N 1 1 324.381 -1.064 20 0 DAADMO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C[C@@H]2C1 ZINC001119834117 779512873 /nfs/dbraw/zinc/51/28/73/779512873.db2.gz YMKWFIDJXNKBPP-XQQFMLRXSA-N 1 1 308.382 -1.257 20 0 DAADMO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C[C@@H]2C1 ZINC001119834117 779512874 /nfs/dbraw/zinc/51/28/74/779512874.db2.gz YMKWFIDJXNKBPP-XQQFMLRXSA-N 1 1 308.382 -1.257 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1=O ZINC001119833921 779512908 /nfs/dbraw/zinc/51/29/08/779512908.db2.gz WOHPADRJMCWZPM-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1=O ZINC001119833921 779512913 /nfs/dbraw/zinc/51/29/13/779512913.db2.gz WOHPADRJMCWZPM-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1=O ZINC001119833922 779512941 /nfs/dbraw/zinc/51/29/41/779512941.db2.gz WOHPADRJMCWZPM-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1=O ZINC001119833922 779512947 /nfs/dbraw/zinc/51/29/47/779512947.db2.gz WOHPADRJMCWZPM-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)C[C@@H]2C1 ZINC001119834116 779513809 /nfs/dbraw/zinc/51/38/09/779513809.db2.gz YMKWFIDJXNKBPP-FRRDWIJNSA-N 1 1 308.382 -1.257 20 0 DAADMO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C[C@@H]2C1 ZINC001119834116 779513815 /nfs/dbraw/zinc/51/38/15/779513815.db2.gz YMKWFIDJXNKBPP-FRRDWIJNSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001119884677 779515163 /nfs/dbraw/zinc/51/51/63/779515163.db2.gz GZALXJHSFVYVQW-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001119884677 779515165 /nfs/dbraw/zinc/51/51/65/779515165.db2.gz GZALXJHSFVYVQW-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=CC[N@H+](C)CC1 ZINC001119893670 779515180 /nfs/dbraw/zinc/51/51/80/779515180.db2.gz IEBVAJUJKMANEP-ONGXEEELSA-N 1 1 315.395 -1.334 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=CC[N@@H+](C)CC1 ZINC001119893670 779515186 /nfs/dbraw/zinc/51/51/86/779515186.db2.gz IEBVAJUJKMANEP-ONGXEEELSA-N 1 1 315.395 -1.334 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119992141 779516203 /nfs/dbraw/zinc/51/62/03/779516203.db2.gz AUQDNVWWNXIDGG-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001120296635 779517727 /nfs/dbraw/zinc/51/77/27/779517727.db2.gz KEOOVHWTONUNJD-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC=C[C@@H]1CO ZINC001120388336 779520409 /nfs/dbraw/zinc/52/04/09/779520409.db2.gz MFMJACGSNFJMAH-KGLIPLIRSA-N 1 1 323.393 -1.197 20 0 DAADMO COC(=O)NC1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC001120456166 779522735 /nfs/dbraw/zinc/52/27/35/779522735.db2.gz XUWOWBUDWJXIAS-ZUZCIYMTSA-N 1 1 324.381 -1.037 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC=C[C@@H]1CO ZINC001120490215 779523593 /nfs/dbraw/zinc/52/35/93/779523593.db2.gz DWIZMKCJKOWWAT-UONOGXRCSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@H]3CCO)C[C@@H]21 ZINC001120508421 779523695 /nfs/dbraw/zinc/52/36/95/779523695.db2.gz OPXIXFWQKKCZSB-UPJWGTAASA-N 1 1 311.382 -1.241 20 0 DAADMO Cc1nc(N[C@H](CO)CNC(=O)CNC(N)=O)c(C)c(C)[nH+]1 ZINC001121017897 779528466 /nfs/dbraw/zinc/52/84/66/779528466.db2.gz IXOFYNXIMZWTKG-JTQLQIEISA-N 1 1 310.358 -1.041 20 0 DAADMO CCc1nc(N[C@@H](CO)CNC(=O)CNC(N)=O)cc(C)[nH+]1 ZINC001121018650 779528478 /nfs/dbraw/zinc/52/84/78/779528478.db2.gz QASHSWVYZQDNNT-SECBINFHSA-N 1 1 310.358 -1.095 20 0 DAADMO CCc1nc(N[C@H](CO)CNC(=O)Cn2cnnn2)cc(C)[nH+]1 ZINC001121025819 779529437 /nfs/dbraw/zinc/52/94/37/779529437.db2.gz UPLVYMSNMOLKGX-JTQLQIEISA-N 1 1 320.357 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241423 779535162 /nfs/dbraw/zinc/53/51/62/779535162.db2.gz NNNSDVZLODDYHA-MNOVXSKESA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241423 779535165 /nfs/dbraw/zinc/53/51/65/779535165.db2.gz NNNSDVZLODDYHA-MNOVXSKESA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001121240970 779535234 /nfs/dbraw/zinc/53/52/34/779535234.db2.gz KYTVBZLJWQLGHL-ZJUUUORDSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001121240965 779535640 /nfs/dbraw/zinc/53/56/40/779535640.db2.gz KYTVBZLJWQLGHL-NXEZZACHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001121243603 779535798 /nfs/dbraw/zinc/53/57/98/779535798.db2.gz VRTCZJLZLJEFIR-ZJUUUORDSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250614 779536210 /nfs/dbraw/zinc/53/62/10/779536210.db2.gz PWBWTZPVCNLAHL-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250614 779536211 /nfs/dbraw/zinc/53/62/11/779536211.db2.gz PWBWTZPVCNLAHL-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250611 779536260 /nfs/dbraw/zinc/53/62/60/779536260.db2.gz PWBWTZPVCNLAHL-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250611 779536263 /nfs/dbraw/zinc/53/62/63/779536263.db2.gz PWBWTZPVCNLAHL-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)c3cnn[nH]3)C2)C1 ZINC001121354169 779539137 /nfs/dbraw/zinc/53/91/37/779539137.db2.gz PPNDCIGRWRRIOV-UHFFFAOYSA-N 1 1 321.341 -1.370 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)Nc2nccn3nnnc23)C1 ZINC001121590612 779545628 /nfs/dbraw/zinc/54/56/28/779545628.db2.gz KDGKQKXGZZXZSP-ZJUUUORDSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001121590610 779546078 /nfs/dbraw/zinc/54/60/78/779546078.db2.gz KDGKQKXGZZXZSP-VHSXEESVSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121591689 779547477 /nfs/dbraw/zinc/54/74/77/779547477.db2.gz UOMQYRSAGGCCLU-VHSXEESVSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121591688 779547493 /nfs/dbraw/zinc/54/74/93/779547493.db2.gz UOMQYRSAGGCCLU-UWVGGRQHSA-N 1 1 320.357 -1.640 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001121670710 779548648 /nfs/dbraw/zinc/54/86/48/779548648.db2.gz UBGARBDPCDEGQC-JTQLQIEISA-N 1 1 322.373 -1.252 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C[C@H]1CNCCS1(=O)=O ZINC001121922892 779551915 /nfs/dbraw/zinc/55/19/15/779551915.db2.gz RCOJDPDSZRKCPC-LBPRGKRZSA-N 1 1 321.443 -1.152 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C[C@H]1CNCCS1(=O)=O ZINC001121922892 779551921 /nfs/dbraw/zinc/55/19/21/779551921.db2.gz RCOJDPDSZRKCPC-LBPRGKRZSA-N 1 1 321.443 -1.152 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)CC1 ZINC001122026017 779553553 /nfs/dbraw/zinc/55/35/53/779553553.db2.gz OVQPWYUKTUMXIU-CQSZACIVSA-N 1 1 315.370 -1.390 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001122028028 779554854 /nfs/dbraw/zinc/55/48/54/779554854.db2.gz KANIPCZYTYQNQV-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO CCc1cc(N[C@H](CO)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001122078272 779555862 /nfs/dbraw/zinc/55/58/62/779555862.db2.gz ROLNNTNGFJTWAX-NSHDSACASA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)c2nnn(C)n2)nc(C)[nH+]1 ZINC001122334370 779561249 /nfs/dbraw/zinc/56/12/49/779561249.db2.gz SYANJLVMWJJIGF-SECBINFHSA-N 1 1 306.330 -1.180 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122436653 779565197 /nfs/dbraw/zinc/56/51/97/779565197.db2.gz GYKPUOXHOKPXPP-UWVGGRQHSA-N 1 1 308.342 -1.336 20 0 DAADMO CCc1cc(N[C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122438643 779565842 /nfs/dbraw/zinc/56/58/42/779565842.db2.gz VXODCYRISCLDJR-GHMZBOCLSA-N 1 1 322.369 -1.082 20 0 DAADMO CC(=O)NCC(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001122674839 779571187 /nfs/dbraw/zinc/57/11/87/779571187.db2.gz COLWERQGWKXJHX-GFCCVEGCSA-N 1 1 324.385 -1.344 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C)n1 ZINC001122782768 779573708 /nfs/dbraw/zinc/57/37/08/779573708.db2.gz DKCVOXFLWQYMCR-JTQLQIEISA-N 1 1 310.358 -1.089 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001123072566 779577036 /nfs/dbraw/zinc/57/70/36/779577036.db2.gz SPEYWQXFPUQJQA-SECBINFHSA-N 1 1 300.338 -1.022 20 0 DAADMO CCCn1c(C)nnc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123304179 779580853 /nfs/dbraw/zinc/58/08/53/779580853.db2.gz FRPUOVZENYHGAR-UHFFFAOYSA-N 1 1 307.362 -1.111 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)Cn2cnnn2)nnc1C1CC1 ZINC001123305073 779581105 /nfs/dbraw/zinc/58/11/05/779581105.db2.gz NBSDTVXMTDXXGM-UHFFFAOYSA-N 1 1 305.346 -1.415 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001123313325 779581148 /nfs/dbraw/zinc/58/11/48/779581148.db2.gz SFQWNGQQNSFWLX-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)Cn2cnnn2)nnc1C1CCC1 ZINC001123312248 779581253 /nfs/dbraw/zinc/58/12/53/779581253.db2.gz BXTNPDQPQVRZHO-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123304499 779581351 /nfs/dbraw/zinc/58/13/51/779581351.db2.gz JIWFGXDHUGPYMM-UHFFFAOYSA-N 1 1 307.362 -1.173 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNC(=O)c1cnccn1 ZINC001123825141 779587438 /nfs/dbraw/zinc/58/74/38/779587438.db2.gz KQAMJWZJRKTWPW-AAEUAGOBSA-N 1 1 318.381 -1.289 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@H]1CCCNC1=O ZINC001124023275 779589059 /nfs/dbraw/zinc/58/90/59/779589059.db2.gz LYRBWBDFPKDQLN-SLEUVZQESA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@@H]1CCCNC1=O ZINC001124023276 779589550 /nfs/dbraw/zinc/58/95/50/779589550.db2.gz LYRBWBDFPKDQLN-YWPYICTPSA-N 1 1 311.382 -1.146 20 0 DAADMO CCNC(=O)CCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124726833 779601397 /nfs/dbraw/zinc/60/13/97/779601397.db2.gz KJQSDNCHOHIKHG-UHFFFAOYSA-N 1 1 324.385 -1.070 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124819666 779603798 /nfs/dbraw/zinc/60/37/98/779603798.db2.gz ZJSAQBWGXOGLEW-SNVBAGLBSA-N 1 1 309.374 -1.042 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)COCCOC ZINC001124925972 779605749 /nfs/dbraw/zinc/60/57/49/779605749.db2.gz MUTBWSGWCGFPKV-UHFFFAOYSA-N 1 1 300.363 -1.048 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001125085534 779606672 /nfs/dbraw/zinc/60/66/72/779606672.db2.gz YQZSKMAVFJENAE-SNVBAGLBSA-N 1 1 310.358 -1.604 20 0 DAADMO Nc1nccnc1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125029232 779606768 /nfs/dbraw/zinc/60/67/68/779606768.db2.gz PNUGJMVJNHKOOB-UHFFFAOYSA-N 1 1 318.341 -1.300 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159274 779612405 /nfs/dbraw/zinc/61/24/05/779612405.db2.gz GWYNICRPYWWCJO-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001139759830 779613216 /nfs/dbraw/zinc/61/32/16/779613216.db2.gz TYFYKGBDSXESNV-BIGNPOOSSA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(Cn1cccn1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149160716 779615765 /nfs/dbraw/zinc/61/57/65/779615765.db2.gz YEYNBVTUSFXOHC-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1cccn1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149160716 779615768 /nfs/dbraw/zinc/61/57/68/779615768.db2.gz YEYNBVTUSFXOHC-CHWSQXEVSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1cccn1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149160719 779615849 /nfs/dbraw/zinc/61/58/49/779615849.db2.gz YEYNBVTUSFXOHC-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1cccn1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149160719 779615853 /nfs/dbraw/zinc/61/58/53/779615853.db2.gz YEYNBVTUSFXOHC-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001141325972 779617350 /nfs/dbraw/zinc/61/73/50/779617350.db2.gz BAXYHNLZAIAWII-ZANVPECISA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C(=O)NCC3CC3)CC2)n1 ZINC001203115766 779618322 /nfs/dbraw/zinc/61/83/22/779618322.db2.gz WDICTVULRJRTCX-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O ZINC001142089346 779619420 /nfs/dbraw/zinc/61/94/20/779619420.db2.gz VHMAUZQPOQFSCP-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O ZINC001142089346 779619424 /nfs/dbraw/zinc/61/94/24/779619424.db2.gz VHMAUZQPOQFSCP-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CNC(=O)c2cccnc2)[C@@H]2NCN[C@@H]21 ZINC001142112927 779620593 /nfs/dbraw/zinc/62/05/93/779620593.db2.gz OBJPLYMRQNSWLJ-UTUOFQBUSA-N 1 1 305.342 -2.670 20 0 DAADMO COc1cc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccn1 ZINC001142237502 779622156 /nfs/dbraw/zinc/62/21/56/779622156.db2.gz XMYQXPUZQAERPP-RDBSUJKOSA-N 1 1 306.370 -1.458 20 0 DAADMO C[NH+]1CCN(CCC(=O)NC2CN(S(C)(=O)=O)C2)CC1 ZINC001143236713 779626421 /nfs/dbraw/zinc/62/64/21/779626421.db2.gz RITUUWPTNSVCQA-UHFFFAOYSA-N 1 1 304.416 -1.616 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CC3)[C@@H]2NCN[C@@H]21 ZINC001149344376 779629248 /nfs/dbraw/zinc/62/92/48/779629248.db2.gz ZYWVVVLQKZBXQO-MCIONIFRSA-N 1 1 316.365 -1.296 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149374503 779630008 /nfs/dbraw/zinc/63/00/08/779630008.db2.gz BTJLBSQXUCLRIQ-NSHDSACASA-N 1 1 308.400 -1.380 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001149374503 779630004 /nfs/dbraw/zinc/63/00/04/779630004.db2.gz BTJLBSQXUCLRIQ-NSHDSACASA-N 1 1 308.400 -1.380 20 0 DAADMO COCCOCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149424199 779630324 /nfs/dbraw/zinc/63/03/24/779630324.db2.gz KYUQBIIQHYODDP-NEPJUHHUSA-N 1 1 317.386 -1.270 20 0 DAADMO COCCOCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149424199 779630329 /nfs/dbraw/zinc/63/03/29/779630329.db2.gz KYUQBIIQHYODDP-NEPJUHHUSA-N 1 1 317.386 -1.270 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001149431729 779631901 /nfs/dbraw/zinc/63/19/01/779631901.db2.gz CAWAEWDOTMOKSV-MRVPVSSYSA-N 1 1 318.403 -1.229 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)c1nncn1C ZINC001149433677 779631915 /nfs/dbraw/zinc/63/19/15/779631915.db2.gz YLCQWPZYPBSJCN-VIFPVBQESA-N 1 1 318.403 -1.527 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149465928 779632485 /nfs/dbraw/zinc/63/24/85/779632485.db2.gz KSQQJTNNKYFLNM-MNOVXSKESA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149473105 779632678 /nfs/dbraw/zinc/63/26/78/779632678.db2.gz JJUGASRKJZZKGC-LLVKDONJSA-N 1 1 303.359 -1.922 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149465884 779632854 /nfs/dbraw/zinc/63/28/54/779632854.db2.gz JOSXAPAUYQIQRD-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149465884 779632857 /nfs/dbraw/zinc/63/28/57/779632857.db2.gz JOSXAPAUYQIQRD-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)CCCO1 ZINC001149466748 779633062 /nfs/dbraw/zinc/63/30/62/779633062.db2.gz ZQGOXJCPGRIFRZ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCCO1 ZINC001149466748 779633066 /nfs/dbraw/zinc/63/30/66/779633066.db2.gz ZQGOXJCPGRIFRZ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488611 779633664 /nfs/dbraw/zinc/63/36/64/779633664.db2.gz BOUBEHMTLIVKOI-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488611 779633667 /nfs/dbraw/zinc/63/36/67/779633667.db2.gz BOUBEHMTLIVKOI-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488616 779634112 /nfs/dbraw/zinc/63/41/12/779634112.db2.gz BOUBEHMTLIVKOI-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488616 779634115 /nfs/dbraw/zinc/63/41/15/779634115.db2.gz BOUBEHMTLIVKOI-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001149547119 779635865 /nfs/dbraw/zinc/63/58/65/779635865.db2.gz ZARJARKOEKEVEF-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001149531341 779635943 /nfs/dbraw/zinc/63/59/43/779635943.db2.gz XVAMGVMMZKHTSE-NSHDSACASA-N 1 1 310.358 -1.434 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001149531340 779636069 /nfs/dbraw/zinc/63/60/69/779636069.db2.gz XVAMGVMMZKHTSE-LLVKDONJSA-N 1 1 310.358 -1.434 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149579299 779636796 /nfs/dbraw/zinc/63/67/96/779636796.db2.gz CFPVORYLNCYTAC-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149599545 779636857 /nfs/dbraw/zinc/63/68/57/779636857.db2.gz ISVHQOCQLXZDPU-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2ncc(C)cn2)c(=O)n1C ZINC001149576949 779636931 /nfs/dbraw/zinc/63/69/31/779636931.db2.gz RPUYPKHIMWOMQY-UHFFFAOYSA-N 1 1 319.369 -1.105 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149579539 779636984 /nfs/dbraw/zinc/63/69/84/779636984.db2.gz GXQKORBSDCXFDX-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149599647 779637272 /nfs/dbraw/zinc/63/72/72/779637272.db2.gz KMYKKGDIVAVUNU-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149599647 779637282 /nfs/dbraw/zinc/63/72/82/779637282.db2.gz KMYKKGDIVAVUNU-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149599329 779637306 /nfs/dbraw/zinc/63/73/06/779637306.db2.gz FNWKZBJCFJDEHT-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149599329 779637312 /nfs/dbraw/zinc/63/73/12/779637312.db2.gz FNWKZBJCFJDEHT-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001149599692 779638379 /nfs/dbraw/zinc/63/83/79/779638379.db2.gz LJRCTRKUPBJXKP-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(=O)NC)CCCO1 ZINC001149599692 779638385 /nfs/dbraw/zinc/63/83/85/779638385.db2.gz LJRCTRKUPBJXKP-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149614699 779639363 /nfs/dbraw/zinc/63/93/63/779639363.db2.gz FWBSGIPQDBNAKE-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149614699 779639368 /nfs/dbraw/zinc/63/93/68/779639368.db2.gz FWBSGIPQDBNAKE-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO Cc1cc2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c(C)n2n1 ZINC001149625552 779639601 /nfs/dbraw/zinc/63/96/01/779639601.db2.gz PUDMUALXDHRAHQ-GRYCIOLGSA-N 1 1 317.357 -2.126 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616043 779639776 /nfs/dbraw/zinc/63/97/76/779639776.db2.gz WSIIDBLQWJJFCJ-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCn2ccnn2)C1 ZINC001149616043 779639781 /nfs/dbraw/zinc/63/97/81/779639781.db2.gz WSIIDBLQWJJFCJ-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149740468 779640081 /nfs/dbraw/zinc/64/00/81/779640081.db2.gz ZBKBDYJMUFGYGJ-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149740463 779640121 /nfs/dbraw/zinc/64/01/21/779640121.db2.gz ZBKBDYJMUFGYGJ-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149682359 779640167 /nfs/dbraw/zinc/64/01/67/779640167.db2.gz WSYXJIKCZCODPQ-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738570 779640287 /nfs/dbraw/zinc/64/02/87/779640287.db2.gz DJMRQYOYAJHBIC-ZJUUUORDSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738570 779640293 /nfs/dbraw/zinc/64/02/93/779640293.db2.gz DJMRQYOYAJHBIC-ZJUUUORDSA-N 1 1 311.346 -2.246 20 0 DAADMO CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149740631 779640570 /nfs/dbraw/zinc/64/05/70/779640570.db2.gz ZLLYHOFPCGUOKC-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738621 779640715 /nfs/dbraw/zinc/64/07/15/779640715.db2.gz FRGMDRRBYJWURL-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1nccn1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149795557 779642190 /nfs/dbraw/zinc/64/21/90/779642190.db2.gz DCRKNSIFMMOHIA-NEPJUHHUSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1nccn1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149795557 779642195 /nfs/dbraw/zinc/64/21/95/779642195.db2.gz DCRKNSIFMMOHIA-NEPJUHHUSA-N 1 1 322.369 -1.626 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795554 779642204 /nfs/dbraw/zinc/64/22/04/779642204.db2.gz DARIPZOPVPHBFL-MNOVXSKESA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795554 779642208 /nfs/dbraw/zinc/64/22/08/779642208.db2.gz DARIPZOPVPHBFL-MNOVXSKESA-N 1 1 310.358 -1.641 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149803962 779642461 /nfs/dbraw/zinc/64/24/61/779642461.db2.gz HKZSOTBUYFCBMO-GFCCVEGCSA-N 1 1 317.386 -1.662 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149842285 779642747 /nfs/dbraw/zinc/64/27/47/779642747.db2.gz RAATXVGRYHDLKT-GFCCVEGCSA-N 1 1 315.370 -1.955 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804529 779642790 /nfs/dbraw/zinc/64/27/90/779642790.db2.gz QCQRFEWRKGTMBH-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804529 779642795 /nfs/dbraw/zinc/64/27/95/779642795.db2.gz QCQRFEWRKGTMBH-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(Cn1nccn1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149795559 779643122 /nfs/dbraw/zinc/64/31/22/779643122.db2.gz DCRKNSIFMMOHIA-RYUDHWBXSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1nccn1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149795559 779643127 /nfs/dbraw/zinc/64/31/27/779643127.db2.gz DCRKNSIFMMOHIA-RYUDHWBXSA-N 1 1 322.369 -1.626 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c2ccccc21 ZINC001149794825 779643172 /nfs/dbraw/zinc/64/31/72/779643172.db2.gz IOLOTYMYBZLMGI-FRRDWIJNSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001149817157 779643307 /nfs/dbraw/zinc/64/33/07/779643307.db2.gz NIDBABCGYCLISP-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCCO1)c1cn[nH]n1 ZINC001149938033 779645707 /nfs/dbraw/zinc/64/57/07/779645707.db2.gz VWWSZHZAESECDG-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCOCCO)CCCO1)c1cnn[nH]1 ZINC001149938033 779645713 /nfs/dbraw/zinc/64/57/13/779645713.db2.gz VWWSZHZAESECDG-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCCO1)c1cnn[nH]1 ZINC001149938033 779645715 /nfs/dbraw/zinc/64/57/15/779645715.db2.gz VWWSZHZAESECDG-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001149936846 779645853 /nfs/dbraw/zinc/64/58/53/779645853.db2.gz OPXOLWYEJVPUHS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936846 779645856 /nfs/dbraw/zinc/64/58/56/779645856.db2.gz OPXOLWYEJVPUHS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936846 779645859 /nfs/dbraw/zinc/64/58/59/779645859.db2.gz OPXOLWYEJVPUHS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001149936844 779646267 /nfs/dbraw/zinc/64/62/67/779646267.db2.gz OPXOLWYEJVPUHS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936844 779646270 /nfs/dbraw/zinc/64/62/70/779646270.db2.gz OPXOLWYEJVPUHS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936844 779646274 /nfs/dbraw/zinc/64/62/74/779646274.db2.gz OPXOLWYEJVPUHS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150079807 779647787 /nfs/dbraw/zinc/64/77/87/779647787.db2.gz XGFGGHDBZQIMSE-GFCCVEGCSA-N 1 1 316.377 -1.405 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150079807 779647792 /nfs/dbraw/zinc/64/77/92/779647792.db2.gz XGFGGHDBZQIMSE-GFCCVEGCSA-N 1 1 316.377 -1.405 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCC(=O)N2CCOCC2)nn1 ZINC001150051723 779648054 /nfs/dbraw/zinc/64/80/54/779648054.db2.gz KSIDAAKPGAPPDT-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150079967 779648103 /nfs/dbraw/zinc/64/81/03/779648103.db2.gz YMPXYNPJPNWCBD-LBPRGKRZSA-N 1 1 314.386 -2.382 20 0 DAADMO CN(C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1)C1CC1 ZINC001150210348 779648910 /nfs/dbraw/zinc/64/89/10/779648910.db2.gz CUTPTDMBCDDHLR-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1)C1CC1 ZINC001150210348 779648912 /nfs/dbraw/zinc/64/89/12/779648912.db2.gz CUTPTDMBCDDHLR-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001150195335 779648976 /nfs/dbraw/zinc/64/89/76/779648976.db2.gz YJVAZQBHMAPOFJ-NEPJUHHUSA-N 1 1 314.386 -1.089 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212206 779649142 /nfs/dbraw/zinc/64/91/42/779649142.db2.gz PGSMRSNOEMVCRQ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212206 779649145 /nfs/dbraw/zinc/64/91/45/779649145.db2.gz PGSMRSNOEMVCRQ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202329 779649270 /nfs/dbraw/zinc/64/92/70/779649270.db2.gz GCXRFLRYTCTDKZ-UWVGGRQHSA-N 1 1 312.370 -1.667 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202329 779649274 /nfs/dbraw/zinc/64/92/74/779649274.db2.gz GCXRFLRYTCTDKZ-UWVGGRQHSA-N 1 1 312.370 -1.667 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212160 779649316 /nfs/dbraw/zinc/64/93/16/779649316.db2.gz PAPYAQZXKOIMBE-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212160 779649319 /nfs/dbraw/zinc/64/93/19/779649319.db2.gz PAPYAQZXKOIMBE-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)c2ccc(=O)n(C)n2)n1C ZINC001150141949 779649433 /nfs/dbraw/zinc/64/94/33/779649433.db2.gz MOFWBNGPMDEJSC-UHFFFAOYSA-N 1 1 319.369 -1.009 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001150149646 779649719 /nfs/dbraw/zinc/64/97/19/779649719.db2.gz CBTSSAIIRFEBGQ-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220452 779650474 /nfs/dbraw/zinc/65/04/74/779650474.db2.gz WQVRIKQMGQXCFO-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220452 779650476 /nfs/dbraw/zinc/65/04/76/779650476.db2.gz WQVRIKQMGQXCFO-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150217632 779650786 /nfs/dbraw/zinc/65/07/86/779650786.db2.gz AFSQOWNZXNHKBC-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150217632 779650791 /nfs/dbraw/zinc/65/07/91/779650791.db2.gz AFSQOWNZXNHKBC-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO Cn1nccc1CC[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219279 779650870 /nfs/dbraw/zinc/65/08/70/779650870.db2.gz NZNWQPAWVOCFKB-LBPRGKRZSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1cc(CC[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150220235 779650943 /nfs/dbraw/zinc/65/09/43/779650943.db2.gz UADODSLILRANDN-LBPRGKRZSA-N 1 1 309.370 -1.345 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150217633 779651102 /nfs/dbraw/zinc/65/11/02/779651102.db2.gz AFSQOWNZXNHKBC-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150217633 779651106 /nfs/dbraw/zinc/65/11/06/779651106.db2.gz AFSQOWNZXNHKBC-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213262 779651242 /nfs/dbraw/zinc/65/12/42/779651242.db2.gz YCUWKOGEEYGYPP-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150213262 779651246 /nfs/dbraw/zinc/65/12/46/779651246.db2.gz YCUWKOGEEYGYPP-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232468 779651256 /nfs/dbraw/zinc/65/12/56/779651256.db2.gz FKACPZZEKOBEMW-WDEREUQCSA-N 1 1 314.386 -1.277 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O)c1nncn1C ZINC001150331214 779654066 /nfs/dbraw/zinc/65/40/66/779654066.db2.gz IWRZPYJXOUOMOY-SECBINFHSA-N 1 1 323.357 -1.524 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2cnns2)C1=O ZINC001150350136 779655161 /nfs/dbraw/zinc/65/51/61/779655161.db2.gz YUNULDDHSSTGHR-UHFFFAOYSA-N 1 1 312.355 -1.362 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344704 779655324 /nfs/dbraw/zinc/65/53/24/779655324.db2.gz IUPVMEBCTYQUJF-UHFFFAOYSA-N 1 1 323.357 -1.636 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O)c1nnnn1C ZINC001150399054 779656114 /nfs/dbraw/zinc/65/61/14/779656114.db2.gz DTQOAVOXVSKKRW-JGVFFNPUSA-N 1 1 324.345 -2.035 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001150386459 779656289 /nfs/dbraw/zinc/65/62/89/779656289.db2.gz MSMJJTGXQIPRRL-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O)c1nnnn1C ZINC001150399058 779656623 /nfs/dbraw/zinc/65/66/23/779656623.db2.gz DTQOAVOXVSKKRW-YUMQZZPRSA-N 1 1 324.345 -2.035 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)nn1C ZINC001150401784 779657226 /nfs/dbraw/zinc/65/72/26/779657226.db2.gz ZFLUYJQBIYGVMQ-NSHDSACASA-N 1 1 322.369 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410149 779657334 /nfs/dbraw/zinc/65/73/34/779657334.db2.gz IMPJYRBQWIOCSN-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410149 779657338 /nfs/dbraw/zinc/65/73/38/779657338.db2.gz IMPJYRBQWIOCSN-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150401758 779657629 /nfs/dbraw/zinc/65/76/29/779657629.db2.gz ZBBOJLQXNBEXCZ-VIFPVBQESA-N 1 1 323.357 -1.508 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150432217 779657654 /nfs/dbraw/zinc/65/76/54/779657654.db2.gz NPVUIDLNHCECFS-UHFFFAOYSA-N 1 1 312.378 -1.263 20 0 DAADMO NC(=O)NCCC(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001150423433 779657947 /nfs/dbraw/zinc/65/79/47/779657947.db2.gz GESUZWLNPPPWOG-UHFFFAOYSA-N 1 1 319.316 -1.193 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001150411074 779658029 /nfs/dbraw/zinc/65/80/29/779658029.db2.gz SUJUHBZDSTZLRB-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)nn1 ZINC001150444107 779658982 /nfs/dbraw/zinc/65/89/82/779658982.db2.gz HOIZIHZMAIYULA-UHFFFAOYSA-N 1 1 318.341 -1.294 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)CCNC(N)=O ZINC001150432485 779659246 /nfs/dbraw/zinc/65/92/46/779659246.db2.gz SCWYPCZZWCXQJO-UHFFFAOYSA-N 1 1 309.374 -1.043 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001150469960 779659871 /nfs/dbraw/zinc/65/98/71/779659871.db2.gz LPJTXHRCDBPVNS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469960 779659875 /nfs/dbraw/zinc/65/98/75/779659875.db2.gz LPJTXHRCDBPVNS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469960 779659881 /nfs/dbraw/zinc/65/98/81/779659881.db2.gz LPJTXHRCDBPVNS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469960 779659885 /nfs/dbraw/zinc/65/98/85/779659885.db2.gz LPJTXHRCDBPVNS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469960 779659888 /nfs/dbraw/zinc/65/98/88/779659888.db2.gz LPJTXHRCDBPVNS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CCC1=O)c1nncn1C ZINC001150467264 779660217 /nfs/dbraw/zinc/66/02/17/779660217.db2.gz OPDRMPJEHNCTHA-VIFPVBQESA-N 1 1 308.342 -1.269 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150472551 779660544 /nfs/dbraw/zinc/66/05/44/779660544.db2.gz IVXYYKMPTLJQJA-UHFFFAOYSA-N 1 1 322.369 -1.039 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150498132 779661898 /nfs/dbraw/zinc/66/18/98/779661898.db2.gz LSGOQPLHQZFOSX-GFCCVEGCSA-N 1 1 312.374 -1.347 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579329 779663432 /nfs/dbraw/zinc/66/34/32/779663432.db2.gz MCKTZRSBNQNSMQ-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579329 779663439 /nfs/dbraw/zinc/66/34/39/779663439.db2.gz MCKTZRSBNQNSMQ-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150580629 779663645 /nfs/dbraw/zinc/66/36/45/779663645.db2.gz WRFHLFMXZQZELD-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150580629 779663652 /nfs/dbraw/zinc/66/36/52/779663652.db2.gz WRFHLFMXZQZELD-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150653065 779663944 /nfs/dbraw/zinc/66/39/44/779663944.db2.gz JNEGJGGFUJJVST-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691439 779665338 /nfs/dbraw/zinc/66/53/38/779665338.db2.gz CUDWHKNNHIYVBU-NXEZZACHSA-N 1 1 315.374 -1.874 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691439 779665342 /nfs/dbraw/zinc/66/53/42/779665342.db2.gz CUDWHKNNHIYVBU-NXEZZACHSA-N 1 1 315.374 -1.874 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150691416 779665361 /nfs/dbraw/zinc/66/53/61/779665361.db2.gz CBQXMBSLPGYOOJ-LLVKDONJSA-N 1 1 302.375 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699736 779665423 /nfs/dbraw/zinc/66/54/23/779665423.db2.gz NKJSDHHPFYBMMQ-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699736 779665426 /nfs/dbraw/zinc/66/54/26/779665426.db2.gz NKJSDHHPFYBMMQ-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150778369 779666202 /nfs/dbraw/zinc/66/62/02/779666202.db2.gz MCRGCDVDIWXZHA-NSHDSACASA-N 1 1 316.402 -1.107 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150731428 779667005 /nfs/dbraw/zinc/66/70/05/779667005.db2.gz LJSUVNQFANRUGV-JTQLQIEISA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOC)CCCO1 ZINC001150731070 779667020 /nfs/dbraw/zinc/66/70/20/779667020.db2.gz BTZOKZKWPGKEDH-LLVKDONJSA-N 1 1 323.415 -1.611 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150731429 779667187 /nfs/dbraw/zinc/66/71/87/779667187.db2.gz LJSUVNQFANRUGV-SNVBAGLBSA-N 1 1 309.388 -2.265 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)c1nnnn1C ZINC001150977915 779667715 /nfs/dbraw/zinc/66/77/15/779667715.db2.gz LVWDTYYBAJRGMI-SSDOTTSWSA-N 1 1 322.329 -1.910 20 0 DAADMO CCn1nc2c(c1C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)CCCC2 ZINC001150854829 779667728 /nfs/dbraw/zinc/66/77/28/779667728.db2.gz KBHFOHPKEMXLMZ-FPMFFAJLSA-N 1 1 319.413 -1.086 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2NCN[C@@H]21 ZINC001150960293 779668223 /nfs/dbraw/zinc/66/82/23/779668223.db2.gz YHXYVJNNEIOTPC-UPJWGTAASA-N 1 1 315.333 -1.074 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001150977945 779669299 /nfs/dbraw/zinc/66/92/99/779669299.db2.gz MJLPDQONMHIAGT-UHFFFAOYSA-N 1 1 321.341 -1.383 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150978303 779669355 /nfs/dbraw/zinc/66/93/55/779669355.db2.gz PROKPXJYEBCIPJ-UHFFFAOYSA-N 1 1 307.314 -1.866 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc(=O)ccc3c2)[C@H]2NCN[C@H]21 ZINC001151004611 779669367 /nfs/dbraw/zinc/66/93/67/779669367.db2.gz JEOVKUGEHAPEAL-BFHYXJOUSA-N 1 1 315.333 -1.074 20 0 DAADMO CNC(=O)CC(=O)NC1(CCOC)CC[NH+](CC(N)=O)CC1 ZINC001151075159 779670841 /nfs/dbraw/zinc/67/08/41/779670841.db2.gz OQTCDUIJHHEZQR-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO Cc1noc2nc(C)cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c12 ZINC001151053704 779670980 /nfs/dbraw/zinc/67/09/80/779670980.db2.gz KOCVUTSDEFOKBW-GRYCIOLGSA-N 1 1 317.353 -1.028 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CCCC1 ZINC001151101594 779671670 /nfs/dbraw/zinc/67/16/70/779671670.db2.gz ULOAVVBJRFMBRS-ZDUSSCGKSA-N 1 1 303.403 -1.188 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001151159271 779673156 /nfs/dbraw/zinc/67/31/56/779673156.db2.gz RIGAUUQHGTVQCV-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1cnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cnn2c1 ZINC001151148712 779673291 /nfs/dbraw/zinc/67/32/91/779673291.db2.gz OZFUNFPXFMRPPF-NHCYSSNCSA-N 1 1 302.342 -1.830 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151159260 779673321 /nfs/dbraw/zinc/67/33/21/779673321.db2.gz RFKMHGXTACDWPG-RYUDHWBXSA-N 1 1 300.403 -1.205 20 0 DAADMO CC[C@@H]([NH2+]CCNC(=O)[C@H](C)CN1CCOCC1)C(N)=O ZINC001151156747 779673469 /nfs/dbraw/zinc/67/34/69/779673469.db2.gz GTCNBYDDEIYYFL-VXGBXAGGSA-N 1 1 300.403 -1.076 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001151159278 779673587 /nfs/dbraw/zinc/67/35/87/779673587.db2.gz RIGAUUQHGTVQCV-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CCOC)(NC(=O)C(N)=O)CC1 ZINC001151294458 779674058 /nfs/dbraw/zinc/67/40/58/779674058.db2.gz HNLGXGAXYUXUSZ-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO COCCC1(NC(=O)C(N)=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001151282026 779674410 /nfs/dbraw/zinc/67/44/10/779674410.db2.gz VWSMQNHWVXBYNI-SECBINFHSA-N 1 1 300.359 -1.667 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)s1 ZINC001151299241 779674418 /nfs/dbraw/zinc/67/44/18/779674418.db2.gz CBZQDBMFDSAFOL-MRVPVSSYSA-N 1 1 319.412 -1.256 20 0 DAADMO COCCC1(NC(=O)C(N)=O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001151281875 779674667 /nfs/dbraw/zinc/67/46/67/779674667.db2.gz RYEWPHMHNJUDRM-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO COCCC1(NC(=O)C(N)=O)CC[NH+](Cc2cnnn2C)CC1 ZINC001151295163 779674713 /nfs/dbraw/zinc/67/47/13/779674713.db2.gz XCTOBCNFONNYDE-UHFFFAOYSA-N 1 1 324.385 -1.212 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001151299860 779674779 /nfs/dbraw/zinc/67/47/79/779674779.db2.gz HPKHCTPIHJWENL-IUCAKERBSA-N 1 1 316.387 -1.726 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001151299858 779674792 /nfs/dbraw/zinc/67/47/92/779674792.db2.gz HPKHCTPIHJWENL-BDAKNGLRSA-N 1 1 316.387 -1.726 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300164 779675453 /nfs/dbraw/zinc/67/54/53/779675453.db2.gz KPMJUADRWVOTIZ-MRVPVSSYSA-N 1 1 302.360 -2.287 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151300807 779675491 /nfs/dbraw/zinc/67/54/91/779675491.db2.gz PZKULRHDPQCDKF-SNVBAGLBSA-N 1 1 316.387 -1.805 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151301417 779675951 /nfs/dbraw/zinc/67/59/51/779675951.db2.gz UBIKIYSXXGALDT-SECBINFHSA-N 1 1 301.372 -1.682 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cncc(C(N)=O)c1)c1nnnn1C ZINC001151318732 779676740 /nfs/dbraw/zinc/67/67/40/779676740.db2.gz XWFKFHHJSKJOEH-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(C(C)C)nn1 ZINC001151372990 779676891 /nfs/dbraw/zinc/67/68/91/779676891.db2.gz IJECVHMWFWBEQY-UHFFFAOYSA-N 1 1 318.403 -1.386 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc3ccsc32)[C@H]2NCN[C@H]21 ZINC001151539517 779679615 /nfs/dbraw/zinc/67/96/15/779679615.db2.gz SNPAIZCBZBEEOG-JMJZKYOTSA-N 1 1 305.367 -1.176 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H]2COCCN2C(C)=O)nn1 ZINC001151585633 779679651 /nfs/dbraw/zinc/67/96/51/779679651.db2.gz FDPFSGVTNKWNIK-ZDUSSCGKSA-N 1 1 324.385 -1.249 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc3ccsc32)[C@@H]2NCN[C@@H]21 ZINC001151539516 779679676 /nfs/dbraw/zinc/67/96/76/779679676.db2.gz SNPAIZCBZBEEOG-IEBDPFPHSA-N 1 1 305.367 -1.176 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(ncnc3Cl)[nH]2)[C@H]2NCN[C@@H]21 ZINC001151568787 779679918 /nfs/dbraw/zinc/67/99/18/779679918.db2.gz OVAIMBDUSLTUMH-BCMRRPTOSA-N 1 1 322.760 -1.256 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cnc2ccnn21 ZINC001151433403 779680140 /nfs/dbraw/zinc/68/01/40/779680140.db2.gz CCCBHSDBSJKCGI-WOPDTQHZSA-N 1 1 302.342 -1.830 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151591183 779681104 /nfs/dbraw/zinc/68/11/04/779681104.db2.gz FGBVXNIXPXLGFE-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151597917 779681293 /nfs/dbraw/zinc/68/12/93/779681293.db2.gz UKOGDHCQHKJYQW-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151597917 779681297 /nfs/dbraw/zinc/68/12/97/779681297.db2.gz UKOGDHCQHKJYQW-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN[C@H](C)c2nnnn2C)C1 ZINC001151736893 779682151 /nfs/dbraw/zinc/68/21/51/779682151.db2.gz AKIQJKVOIYWSET-MNOVXSKESA-N 1 1 311.390 -1.302 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN[C@H](C)c2nnnn2C)C1 ZINC001151736893 779682158 /nfs/dbraw/zinc/68/21/58/779682158.db2.gz AKIQJKVOIYWSET-MNOVXSKESA-N 1 1 311.390 -1.302 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151815708 779683680 /nfs/dbraw/zinc/68/36/80/779683680.db2.gz ZVXTWWCAXJKLHK-CYBMUJFWSA-N 1 1 323.401 -1.473 20 0 DAADMO Cn1ccc2c1nccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001151803420 779683974 /nfs/dbraw/zinc/68/39/74/779683974.db2.gz DTLJJSSIWCVBHU-GMXVVIOVSA-N 1 1 301.354 -1.294 20 0 DAADMO Cn1ccc2c1nccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001151803715 779684038 /nfs/dbraw/zinc/68/40/38/779684038.db2.gz DTLJJSSIWCVBHU-GVXVVHGQSA-N 1 1 301.354 -1.294 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cccnc1C(N)=O)c1nnnn1C ZINC001151966968 779685151 /nfs/dbraw/zinc/68/51/51/779685151.db2.gz HGNHABWWUZEOCU-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccccn1 ZINC001152066018 779686129 /nfs/dbraw/zinc/68/61/29/779686129.db2.gz BTRAIWFVRRHJLS-UHFFFAOYSA-N 1 1 318.341 -1.759 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)c1nnnn1C ZINC001152154689 779687368 /nfs/dbraw/zinc/68/73/68/779687368.db2.gz BXWDZAABMHMVCD-NXEZZACHSA-N 1 1 319.373 -1.169 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCc3nncn3C2)n1 ZINC001152156096 779688119 /nfs/dbraw/zinc/68/81/19/779688119.db2.gz MOMRTLAHBKBOAN-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCc3nncn3C2)nn1 ZINC001152157335 779688165 /nfs/dbraw/zinc/68/81/65/779688165.db2.gz UUMSTQJZSRMYCX-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001152282828 779690212 /nfs/dbraw/zinc/69/02/12/779690212.db2.gz PSGVAIOHJPJCHM-QMMMGPOBSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CNC(=O)C1CCC1)c1nnnn1C ZINC001152303743 779690983 /nfs/dbraw/zinc/69/09/83/779690983.db2.gz AFYNHXKSYPQHMH-SECBINFHSA-N 1 1 309.374 -1.107 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1nnnn1C ZINC001152414540 779692002 /nfs/dbraw/zinc/69/20/02/779692002.db2.gz AFJQVVXGOSMIFG-SSDOTTSWSA-N 1 1 322.333 -2.633 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001152415214 779692149 /nfs/dbraw/zinc/69/21/49/779692149.db2.gz ZCDZCWVLZBNYTK-ZETCQYMHSA-N 1 1 321.345 -1.729 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)c(C)o1 ZINC001152415191 779692202 /nfs/dbraw/zinc/69/22/02/779692202.db2.gz XJXISEFCTTXGIT-UHFFFAOYSA-N 1 1 321.341 -1.112 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nccnc1N ZINC001152470202 779692466 /nfs/dbraw/zinc/69/24/66/779692466.db2.gz SLHOHFLCORYNKK-MRVPVSSYSA-N 1 1 323.357 -1.306 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nccnc1N ZINC001152470202 779692469 /nfs/dbraw/zinc/69/24/69/779692469.db2.gz SLHOHFLCORYNKK-MRVPVSSYSA-N 1 1 323.357 -1.306 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)COCCOC ZINC001152431832 779692496 /nfs/dbraw/zinc/69/24/96/779692496.db2.gz IXYAELKBWJTMSM-SNVBAGLBSA-N 1 1 318.374 -1.329 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)COCCOC ZINC001152431832 779692503 /nfs/dbraw/zinc/69/25/03/779692503.db2.gz IXYAELKBWJTMSM-SNVBAGLBSA-N 1 1 318.374 -1.329 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)nn1 ZINC001152421201 779692863 /nfs/dbraw/zinc/69/28/63/779692863.db2.gz VLNAPWBDLKJJDZ-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO CC[N@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152506609 779694483 /nfs/dbraw/zinc/69/44/83/779694483.db2.gz DJQVBWKFLHIUKE-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(=O)cc[nH]c3c2)[C@@H]2NCN[C@H]21 ZINC001152572889 779694397 /nfs/dbraw/zinc/69/43/97/779694397.db2.gz VSZFSTAGLCNXNV-MJBXVCDLSA-N 1 1 314.349 -1.339 20 0 DAADMO CC[N@@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)CC(N)=O ZINC001152506609 779694485 /nfs/dbraw/zinc/69/44/85/779694485.db2.gz DJQVBWKFLHIUKE-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCC(=O)N(C)C1)c1nnnn1C ZINC001152511241 779694490 /nfs/dbraw/zinc/69/44/90/779694490.db2.gz YHBUUNKFBHEAQY-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C)CS(C)(=O)=O)[nH]1 ZINC001152617693 779695769 /nfs/dbraw/zinc/69/57/69/779695769.db2.gz DBQNAFRYFXHEDO-QMMMGPOBSA-N 1 1 303.388 -1.000 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001152789344 779698628 /nfs/dbraw/zinc/69/86/28/779698628.db2.gz LQZAAYUVPNBZHQ-GXSJLCMTSA-N 1 1 309.374 -1.012 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)CNC3=O)[C@@H]2NCN[C@H]21 ZINC001152779860 779698689 /nfs/dbraw/zinc/69/86/89/779698689.db2.gz DDBBVPYDURHUMR-TUAOUCFPSA-N 1 1 302.338 -1.937 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873351 779699467 /nfs/dbraw/zinc/69/94/67/779699467.db2.gz KALGHSJHCSKCIA-MNOVXSKESA-N 1 1 315.374 -1.182 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2c[nH]c3c2ncnc3Cl)[C@H]2NCN[C@@H]21 ZINC001152952735 779699660 /nfs/dbraw/zinc/69/96/60/779699660.db2.gz HURBZHUNTSNNIT-FBIMIBRVSA-N 1 1 322.760 -1.256 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2c[nH]c3c2ncnc3Cl)[C@@H]2NCN[C@@H]21 ZINC001152952737 779699712 /nfs/dbraw/zinc/69/97/12/779699712.db2.gz HURBZHUNTSNNIT-IEBDPFPHSA-N 1 1 322.760 -1.256 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940196 779699765 /nfs/dbraw/zinc/69/97/65/779699765.db2.gz JIGKMEZKHQBFOC-SFYZADRCSA-N 1 1 316.362 -1.935 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940196 779699766 /nfs/dbraw/zinc/69/97/66/779699766.db2.gz JIGKMEZKHQBFOC-SFYZADRCSA-N 1 1 316.362 -1.935 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001153138460 779701125 /nfs/dbraw/zinc/70/11/25/779701125.db2.gz DCBZASZUXXJHOK-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001153138460 779701131 /nfs/dbraw/zinc/70/11/31/779701131.db2.gz DCBZASZUXXJHOK-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccc(Cl)nn32)[C@@H]2NCN[C@@H]21 ZINC001153219614 779701936 /nfs/dbraw/zinc/70/19/36/779701936.db2.gz VDUAWFCCKYEMMU-MXWKQRLJSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001153070304 779701980 /nfs/dbraw/zinc/70/19/80/779701980.db2.gz BMMZMYOUEJXAPC-OUAUKWLOSA-N 1 1 303.359 -1.071 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001153070455 779702022 /nfs/dbraw/zinc/70/20/22/779702022.db2.gz HXGIWMGSPZNETN-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153367782 779702661 /nfs/dbraw/zinc/70/26/61/779702661.db2.gz FLSSLZIJPIKQKC-MRVPVSSYSA-N 1 1 312.334 -2.305 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153367782 779702669 /nfs/dbraw/zinc/70/26/69/779702669.db2.gz FLSSLZIJPIKQKC-MRVPVSSYSA-N 1 1 312.334 -2.305 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153368405 779702713 /nfs/dbraw/zinc/70/27/13/779702713.db2.gz MXLQGMCFAJCVLL-GHMZBOCLSA-N 1 1 300.363 -1.493 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001153313749 779703603 /nfs/dbraw/zinc/70/36/03/779703603.db2.gz WMJQOLPRXSIJHB-LLVKDONJSA-N 1 1 324.447 -1.457 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001153490886 779705137 /nfs/dbraw/zinc/70/51/37/779705137.db2.gz FPWXIZAODGMFTK-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001153490886 779705141 /nfs/dbraw/zinc/70/51/41/779705141.db2.gz FPWXIZAODGMFTK-NXEZZACHSA-N 1 1 322.431 -1.374 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520294 779705424 /nfs/dbraw/zinc/70/54/24/779705424.db2.gz HCOSGXQQFTXVEF-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c2c1CCCC2 ZINC001153555186 779706359 /nfs/dbraw/zinc/70/63/59/779706359.db2.gz MPIWNMXWCOQWMP-AVGNSLFASA-N 1 1 305.386 -1.568 20 0 DAADMO Cn1c2ccccc2nc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001153646453 779707476 /nfs/dbraw/zinc/70/74/76/779707476.db2.gz XEUKQJRVWOHMFH-SDDRHHMPSA-N 1 1 301.354 -1.294 20 0 DAADMO Cc1cn2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2n1 ZINC001153603076 779707609 /nfs/dbraw/zinc/70/76/09/779707609.db2.gz WMUGTZJRQPPUMP-MDZLAQPJSA-N 1 1 301.354 -1.225 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001153689030 779707919 /nfs/dbraw/zinc/70/79/19/779707919.db2.gz WJQHUVFLEUJFMW-LLVKDONJSA-N 1 1 316.402 -1.336 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001153689030 779707927 /nfs/dbraw/zinc/70/79/27/779707927.db2.gz WJQHUVFLEUJFMW-LLVKDONJSA-N 1 1 316.402 -1.336 20 0 DAADMO Cn1c2ccccc2nc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001153646452 779708180 /nfs/dbraw/zinc/70/81/80/779708180.db2.gz XEUKQJRVWOHMFH-GRYCIOLGSA-N 1 1 301.354 -1.294 20 0 DAADMO Cn1c2ccccc2nc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001153646454 779708235 /nfs/dbraw/zinc/70/82/35/779708235.db2.gz XEUKQJRVWOHMFH-SRVKXCTJSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNC(=O)COC ZINC001153693743 779708962 /nfs/dbraw/zinc/70/89/62/779708962.db2.gz QMIXOQHDYMOZRE-LLVKDONJSA-N 1 1 316.402 -1.288 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCNC(=O)COC ZINC001153693743 779708966 /nfs/dbraw/zinc/70/89/66/779708966.db2.gz QMIXOQHDYMOZRE-LLVKDONJSA-N 1 1 316.402 -1.288 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001153693393 779709234 /nfs/dbraw/zinc/70/92/34/779709234.db2.gz NDUAQNWOPAXMPM-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CNS(=O)(=O)CC ZINC001153693393 779709240 /nfs/dbraw/zinc/70/92/40/779709240.db2.gz NDUAQNWOPAXMPM-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO Cn1ncc2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c21 ZINC001153692403 779709492 /nfs/dbraw/zinc/70/94/92/779709492.db2.gz SOHADJCOGRMVCP-WCFLWFBJSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001153710485 779709686 /nfs/dbraw/zinc/70/96/86/779709686.db2.gz VZKJTQMLRDWZGZ-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001153710485 779709690 /nfs/dbraw/zinc/70/96/90/779709690.db2.gz VZKJTQMLRDWZGZ-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3cccnc3[nH]c2=O)[C@H]2NCN[C@@H]21 ZINC001153751782 779709827 /nfs/dbraw/zinc/70/98/27/779709827.db2.gz VGNDLBTZTJXRES-CKYFFXLPSA-N 1 1 315.337 -1.532 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780754 779711021 /nfs/dbraw/zinc/71/10/21/779711021.db2.gz VWIZMCLIBHMCKN-NWDGAFQWSA-N 1 1 322.365 -1.406 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001153864270 779712120 /nfs/dbraw/zinc/71/21/20/779712120.db2.gz MOZVAEDICYGMSI-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886436 779712378 /nfs/dbraw/zinc/71/23/78/779712378.db2.gz BLYQZOOQVLRBIS-VIFPVBQESA-N 1 1 323.357 -1.487 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)c1nnnn1C ZINC001153882476 779712420 /nfs/dbraw/zinc/71/24/20/779712420.db2.gz HBXRLSSHOATBRL-YUMQZZPRSA-N 1 1 309.330 -1.970 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)nn1C ZINC001153882545 779712666 /nfs/dbraw/zinc/71/26/66/779712666.db2.gz ISIIVRADTHVVRO-SNVBAGLBSA-N 1 1 307.354 -1.013 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882808 779712861 /nfs/dbraw/zinc/71/28/61/779712861.db2.gz PBWSWUMKDSSMTR-JTQLQIEISA-N 1 1 322.369 -1.053 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)on1 ZINC001153883083 779712908 /nfs/dbraw/zinc/71/29/08/779712908.db2.gz VPJCKAXVFIKVNN-QMMMGPOBSA-N 1 1 310.310 -1.058 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001153882791 779712947 /nfs/dbraw/zinc/71/29/47/779712947.db2.gz OKSHWCRWSVDJAS-VIFPVBQESA-N 1 1 320.353 -1.059 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882798 779712968 /nfs/dbraw/zinc/71/29/68/779712968.db2.gz OPQIZIVGOXTXGO-SECBINFHSA-N 1 1 308.342 -1.443 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153910917 779713425 /nfs/dbraw/zinc/71/34/25/779713425.db2.gz CBFYAELDVMVWAB-ZDUSSCGKSA-N 1 1 309.374 -1.135 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890803 779714436 /nfs/dbraw/zinc/71/44/36/779714436.db2.gz WAOGRVAHADVVAI-JTQLQIEISA-N 1 1 322.369 -1.135 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001153956720 779714845 /nfs/dbraw/zinc/71/48/45/779714845.db2.gz JYLDLIBVGSIERS-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnc[nH]c1=O ZINC001153956720 779714853 /nfs/dbraw/zinc/71/48/53/779714853.db2.gz JYLDLIBVGSIERS-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n2nccc2n1 ZINC001153988959 779715647 /nfs/dbraw/zinc/71/56/47/779715647.db2.gz PKHJMOKVLOECQX-SRVKXCTJSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1nc2ccc(F)cn2c1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001154019510 779716065 /nfs/dbraw/zinc/71/60/65/779716065.db2.gz NVYLAAWBBBQGNC-KGYLQXTDSA-N 1 1 319.344 -1.085 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154092356 779717003 /nfs/dbraw/zinc/71/70/03/779717003.db2.gz FHDXIGWHCLRLOP-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154092356 779717008 /nfs/dbraw/zinc/71/70/08/779717008.db2.gz FHDXIGWHCLRLOP-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO CC1(C)COc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cnn2C1 ZINC001154367890 779718842 /nfs/dbraw/zinc/71/88/42/779718842.db2.gz ITPZLZAPEQGTJT-GARJFASQSA-N 1 1 321.385 -1.566 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc2nccn21 ZINC001154437546 779719703 /nfs/dbraw/zinc/71/97/03/779719703.db2.gz CNPSDPHYEBNFDT-OUAUKWLOSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc2nccn21 ZINC001154437544 779719969 /nfs/dbraw/zinc/71/99/69/779719969.db2.gz CNPSDPHYEBNFDT-DCAQKATOSA-N 1 1 302.342 -1.830 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn(C)c(=O)cn1 ZINC001154392395 779720060 /nfs/dbraw/zinc/72/00/60/779720060.db2.gz UECSWLIILSFGNR-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1cn(C)c(=O)cn1 ZINC001154392395 779720065 /nfs/dbraw/zinc/72/00/65/779720065.db2.gz UECSWLIILSFGNR-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O)S(N)(=O)=O ZINC001154468965 779721021 /nfs/dbraw/zinc/72/10/21/779721021.db2.gz IITJJLQISGVFHM-NXEZZACHSA-N 1 1 322.431 -1.245 20 0 DAADMO CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O)S(N)(=O)=O ZINC001154468965 779721025 /nfs/dbraw/zinc/72/10/25/779721025.db2.gz IITJJLQISGVFHM-NXEZZACHSA-N 1 1 322.431 -1.245 20 0 DAADMO CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154468982 779721078 /nfs/dbraw/zinc/72/10/78/779721078.db2.gz ISQUVWLOVVMRAB-LLVKDONJSA-N 1 1 324.447 -1.097 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469448 779721389 /nfs/dbraw/zinc/72/13/89/779721389.db2.gz ZBTNOZJTXJQFII-ZJUUUORDSA-N 1 1 310.420 -1.752 20 0 DAADMO COc1ccc2c(c1)n[nH]c2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001154474454 779721482 /nfs/dbraw/zinc/72/14/82/779721482.db2.gz YZZYHSICHLYESI-AGIUHOORSA-N 1 1 317.353 -1.296 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn3cccc(F)c3n2)[C@H]2NCN[C@@H]21 ZINC001154548301 779723046 /nfs/dbraw/zinc/72/30/46/779723046.db2.gz RUDUYKNHSOMLFA-CKYFFXLPSA-N 1 1 305.317 -1.394 20 0 DAADMO CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620505 779724238 /nfs/dbraw/zinc/72/42/38/779724238.db2.gz KUGPNYLJHXNKNU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620505 779724243 /nfs/dbraw/zinc/72/42/43/779724243.db2.gz KUGPNYLJHXNKNU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001154588534 779724477 /nfs/dbraw/zinc/72/44/77/779724477.db2.gz JNVAGKIVWRKHSB-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620910 779724739 /nfs/dbraw/zinc/72/47/39/779724739.db2.gz VXBUGOLDONVAPN-UTUOFQBUSA-N 1 1 316.402 -1.156 20 0 DAADMO COc1cc2n[nH]cc2cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001154800579 779725539 /nfs/dbraw/zinc/72/55/39/779725539.db2.gz SFVGRDQXSAOKNP-AVGNSLFASA-N 1 1 317.353 -1.296 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3ccc(Cl)nc23)[C@@H]2NCN[C@H]21 ZINC001154784451 779725573 /nfs/dbraw/zinc/72/55/73/779725573.db2.gz UCALTRAHCXCCKW-NGZCFLSTSA-N 1 1 322.760 -1.485 20 0 DAADMO CN1CCOc2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ccc21 ZINC001154732372 779725733 /nfs/dbraw/zinc/72/57/33/779725733.db2.gz NIHXIIUOAMAYLJ-HZSPNIEDSA-N 1 1 318.381 -1.352 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3ccc(Cl)nc23)[C@H]2NCN[C@H]21 ZINC001154784447 779725802 /nfs/dbraw/zinc/72/58/02/779725802.db2.gz UCALTRAHCXCCKW-IQJOONFLSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)C(N)=O ZINC001154952479 779727996 /nfs/dbraw/zinc/72/79/96/779727996.db2.gz FCUAVGOIQFJGOJ-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H](C)CNC(=O)C(N)=O ZINC001154952479 779728002 /nfs/dbraw/zinc/72/80/02/779728002.db2.gz FCUAVGOIQFJGOJ-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154922217 779728183 /nfs/dbraw/zinc/72/81/83/779728183.db2.gz VTMKNQLVMGCLSW-GMTAPVOTSA-N 1 1 302.375 -1.498 20 0 DAADMO CC[N@H+](CC(=O)NC[C@H]1CCCO1)[C@H](C)CNC(=O)C(N)=O ZINC001154952506 779728565 /nfs/dbraw/zinc/72/85/65/779728565.db2.gz FIWUZIHQIRMZSR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@H](C)CNC(=O)C(N)=O ZINC001154952506 779728573 /nfs/dbraw/zinc/72/85/73/779728573.db2.gz FIWUZIHQIRMZSR-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1cnc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001155004402 779728586 /nfs/dbraw/zinc/72/85/86/779728586.db2.gz JJASMCUGDBLGIA-AVGNSLFASA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154953034 779728719 /nfs/dbraw/zinc/72/87/19/779728719.db2.gz VZPNXLPPVNFQAB-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CC[N@@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154953034 779728727 /nfs/dbraw/zinc/72/87/27/779728727.db2.gz VZPNXLPPVNFQAB-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CC[N@H+](CC(=O)NC[C@H]1CCOC1)[C@H](C)CNC(=O)C(N)=O ZINC001154968856 779728963 /nfs/dbraw/zinc/72/89/63/779728963.db2.gz LTOUZQQTJITEBN-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@@H+](CC(=O)NC[C@H]1CCOC1)[C@H](C)CNC(=O)C(N)=O ZINC001154968856 779728967 /nfs/dbraw/zinc/72/89/67/779728967.db2.gz LTOUZQQTJITEBN-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)C(N)=O ZINC001154944676 779729239 /nfs/dbraw/zinc/72/92/39/779729239.db2.gz IUKVNDTWBRQYKU-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CC[N@@H+](CC(=O)NCC(F)(F)F)[C@H](C)CNC(=O)C(N)=O ZINC001154944676 779729242 /nfs/dbraw/zinc/72/92/42/779729242.db2.gz IUKVNDTWBRQYKU-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154922218 779729284 /nfs/dbraw/zinc/72/92/84/779729284.db2.gz VTMKNQLVMGCLSW-MXWKQRLJSA-N 1 1 302.375 -1.498 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154922220 779729287 /nfs/dbraw/zinc/72/92/87/779729287.db2.gz VTMKNQLVMGCLSW-VWYCJHECSA-N 1 1 302.375 -1.498 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001155160383 779730080 /nfs/dbraw/zinc/73/00/80/779730080.db2.gz DCLZVPQUUBNZNX-MRVPVSSYSA-N 1 1 319.387 -1.510 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001155360634 779731354 /nfs/dbraw/zinc/73/13/54/779731354.db2.gz XSGVQSQEZWOUMU-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001155360634 779731359 /nfs/dbraw/zinc/73/13/59/779731359.db2.gz XSGVQSQEZWOUMU-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001155360633 779731432 /nfs/dbraw/zinc/73/14/32/779731432.db2.gz XSGVQSQEZWOUMU-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001155360633 779731436 /nfs/dbraw/zinc/73/14/36/779731436.db2.gz XSGVQSQEZWOUMU-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273362 779731585 /nfs/dbraw/zinc/73/15/85/779731585.db2.gz PMDIXKZVZRJHFP-KXNHARMFSA-N 1 1 301.387 -1.058 20 0 DAADMO Cc1ccn2c(c1)ncc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001155349429 779731810 /nfs/dbraw/zinc/73/18/10/779731810.db2.gz ROXCHIRXDXIWQS-AVGNSLFASA-N 1 1 301.354 -1.225 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001155606905 779732957 /nfs/dbraw/zinc/73/29/57/779732957.db2.gz FLISEKZVIVDPPJ-SNVBAGLBSA-N 1 1 312.370 -1.484 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155510049 779732997 /nfs/dbraw/zinc/73/29/97/779732997.db2.gz OUVLGTFSVKPCBN-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001155751848 779734035 /nfs/dbraw/zinc/73/40/35/779734035.db2.gz SHPZJVPYBJWUPV-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001155751848 779734039 /nfs/dbraw/zinc/73/40/39/779734039.db2.gz SHPZJVPYBJWUPV-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654317 779734347 /nfs/dbraw/zinc/73/43/47/779734347.db2.gz OGIWWNSSGVIINU-SCZZXKLOSA-N 1 1 315.374 -2.322 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654317 779734351 /nfs/dbraw/zinc/73/43/51/779734351.db2.gz OGIWWNSSGVIINU-SCZZXKLOSA-N 1 1 315.374 -2.322 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC(=O)N(C)C ZINC001155681928 779734458 /nfs/dbraw/zinc/73/44/58/779734458.db2.gz VSRNXXDFGJOQJA-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC(=O)N(C)C ZINC001155681928 779734463 /nfs/dbraw/zinc/73/44/63/779734463.db2.gz VSRNXXDFGJOQJA-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(s2)CCOC3)[C@@H]2NCN[C@H]21 ZINC001155834179 779735392 /nfs/dbraw/zinc/73/53/92/779735392.db2.gz BTHHBVHFCLIJKE-TUAOUCFPSA-N 1 1 309.395 -1.047 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001155763902 779735985 /nfs/dbraw/zinc/73/59/85/779735985.db2.gz JALCELDYAHKKQQ-NAUIOFCNSA-N 1 1 312.370 -1.207 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001156000079 779737490 /nfs/dbraw/zinc/73/74/90/779737490.db2.gz JNXVEURMPBUZCQ-GFCCVEGCSA-N 1 1 314.390 -1.101 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001155994006 779737513 /nfs/dbraw/zinc/73/75/13/779737513.db2.gz FISYAMDSGFMREK-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001155994006 779737518 /nfs/dbraw/zinc/73/75/18/779737518.db2.gz FISYAMDSGFMREK-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO COc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nnc12 ZINC001156017141 779737529 /nfs/dbraw/zinc/73/75/29/779737529.db2.gz HSXJZJCMOHTMIO-YWVKMMECSA-N 1 1 318.341 -2.129 20 0 DAADMO Cc1ccc2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n2c1 ZINC001156042688 779738618 /nfs/dbraw/zinc/73/86/18/779738618.db2.gz ULLATWDWEDRZLU-VWYCJHECSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n[nH]nc3cc2F)[C@H]2NCN[C@H]21 ZINC001156085755 779738667 /nfs/dbraw/zinc/73/86/67/779738667.db2.gz LBUPNLSHYQEJOE-HBNTYKKESA-N 1 1 306.305 -1.770 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n[nH]nc3cc2F)[C@@H]2NCN[C@H]21 ZINC001156085753 779738840 /nfs/dbraw/zinc/73/88/40/779738840.db2.gz LBUPNLSHYQEJOE-AXFHLTTASA-N 1 1 306.305 -1.770 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001156354530 779739753 /nfs/dbraw/zinc/73/97/53/779739753.db2.gz UKJSOBLUJNBXAE-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001156354530 779739755 /nfs/dbraw/zinc/73/97/55/779739755.db2.gz UKJSOBLUJNBXAE-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001156336032 779739796 /nfs/dbraw/zinc/73/97/96/779739796.db2.gz FSBBJARSSNRYKI-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001156328157 779739930 /nfs/dbraw/zinc/73/99/30/779739930.db2.gz FODDECBQWJVQFM-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001156353593 779740123 /nfs/dbraw/zinc/74/01/23/779740123.db2.gz IPRMYWOEKFUUFU-SNVBAGLBSA-N 1 1 300.359 -1.301 20 0 DAADMO CS(=O)(=O)c1nc(=NOCC[NH3+])c2c([n-]1)CC[NH2+]CC2 ZINC001156284997 779740363 /nfs/dbraw/zinc/74/03/63/779740363.db2.gz BOOKZOQGOUTIGO-UHFFFAOYSA-N 1 1 301.372 -1.130 20 0 DAADMO Cc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nnc12 ZINC001156357069 779740411 /nfs/dbraw/zinc/74/04/11/779740411.db2.gz GFYXKSNCAQSDAI-ATZCPNFKSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3ncsc3n2)[C@@H]2NCN[C@H]21 ZINC001156308253 779740822 /nfs/dbraw/zinc/74/08/22/779740822.db2.gz BDLVOVMMRSSPAC-AEJSXWLSSA-N 1 1 305.367 -1.176 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3ncsc3n2)[C@H]2NCN[C@H]21 ZINC001156308255 779740833 /nfs/dbraw/zinc/74/08/33/779740833.db2.gz BDLVOVMMRSSPAC-IVZWLZJFSA-N 1 1 305.367 -1.176 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3c(F)cccn23)[C@H]2NCN[C@@H]21 ZINC001156344325 779740843 /nfs/dbraw/zinc/74/08/43/779740843.db2.gz ZQLJQDYGDBRHRK-NQMVMOMDSA-N 1 1 306.305 -1.999 20 0 DAADMO COc1cccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cn21 ZINC001156606462 779741623 /nfs/dbraw/zinc/74/16/23/779741623.db2.gz ZZEUNLTUQBCTLB-AVGNSLFASA-N 1 1 317.353 -1.524 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001156471335 779741734 /nfs/dbraw/zinc/74/17/34/779741734.db2.gz ZMIFCEQGVDPEBU-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001156471335 779741738 /nfs/dbraw/zinc/74/17/38/779741738.db2.gz ZMIFCEQGVDPEBU-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CNC3=O)[C@H]2NCN[C@H]21 ZINC001156558354 779741864 /nfs/dbraw/zinc/74/18/64/779741864.db2.gz CZJQKGSQEZRYLA-QJPTWQEYSA-N 1 1 302.338 -1.937 20 0 DAADMO Cc1cc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cn2cn1 ZINC001156437797 779741914 /nfs/dbraw/zinc/74/19/14/779741914.db2.gz VMCJPVLMDBWTAD-SDDRHHMPSA-N 1 1 302.342 -1.830 20 0 DAADMO COc1cccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cn21 ZINC001156606463 779742306 /nfs/dbraw/zinc/74/23/06/779742306.db2.gz ZZEUNLTUQBCTLB-FRRDWIJNSA-N 1 1 317.353 -1.524 20 0 DAADMO COc1cccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cn21 ZINC001156606461 779742333 /nfs/dbraw/zinc/74/23/33/779742333.db2.gz ZZEUNLTUQBCTLB-AGIUHOORSA-N 1 1 317.353 -1.524 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156787532 779743373 /nfs/dbraw/zinc/74/33/73/779743373.db2.gz JOZRVJVYAARXAC-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156787532 779743377 /nfs/dbraw/zinc/74/33/77/779743377.db2.gz JOZRVJVYAARXAC-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO COc1ccc2onc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2c1 ZINC001156735475 779743600 /nfs/dbraw/zinc/74/36/00/779743600.db2.gz IONKWURDTZLFMO-AGIUHOORSA-N 1 1 318.337 -1.031 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001156808697 779744611 /nfs/dbraw/zinc/74/46/11/779744611.db2.gz ZOQMTEPGZQNLQR-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001156808697 779744620 /nfs/dbraw/zinc/74/46/20/779744620.db2.gz ZOQMTEPGZQNLQR-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156808495 779744811 /nfs/dbraw/zinc/74/48/11/779744811.db2.gz ULVUOAGOTPCJPN-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967050 779747184 /nfs/dbraw/zinc/74/71/84/779747184.db2.gz JZGUZCRVFMVDMT-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967050 779747187 /nfs/dbraw/zinc/74/71/87/779747187.db2.gz JZGUZCRVFMVDMT-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157110064 779747973 /nfs/dbraw/zinc/74/79/73/779747973.db2.gz ZKIPFIOFHSJXHL-MRVPVSSYSA-N 1 1 311.346 -2.311 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157110064 779747978 /nfs/dbraw/zinc/74/79/78/779747978.db2.gz ZKIPFIOFHSJXHL-MRVPVSSYSA-N 1 1 311.346 -2.311 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c[nH]c2n1 ZINC001157104414 779748406 /nfs/dbraw/zinc/74/84/06/779748406.db2.gz IFTHNKQIWBEKES-NTZNESFSSA-N 1 1 317.353 -1.296 20 0 DAADMO COc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cn2c1 ZINC001157089739 779748480 /nfs/dbraw/zinc/74/84/80/779748480.db2.gz UTXGJEVJKFHWRB-FRRDWIJNSA-N 1 1 317.353 -1.524 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157081919 779748489 /nfs/dbraw/zinc/74/84/89/779748489.db2.gz FSQUIQUIIJHYBO-GMXABZIVSA-N 1 1 321.381 -1.048 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)C(=O)OC3)[C@H]2NCN[C@@H]21 ZINC001157192097 779749692 /nfs/dbraw/zinc/74/96/92/779749692.db2.gz MHDYDXDKMDZTMT-IJLUTSLNSA-N 1 1 303.322 -1.510 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157158729 779749745 /nfs/dbraw/zinc/74/97/45/779749745.db2.gz LCVXKIMULJNXLP-SNVBAGLBSA-N 1 1 312.374 -1.414 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cnn2c1 ZINC001157234285 779750606 /nfs/dbraw/zinc/75/06/06/779750606.db2.gz HYEBAOIHDOXLNS-AVGNSLFASA-N 1 1 317.353 -1.524 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cnn2c1 ZINC001157234286 779750644 /nfs/dbraw/zinc/75/06/44/779750644.db2.gz HYEBAOIHDOXLNS-FRRDWIJNSA-N 1 1 317.353 -1.524 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cnn2c1 ZINC001157234287 779750778 /nfs/dbraw/zinc/75/07/78/779750778.db2.gz HYEBAOIHDOXLNS-RWMBFGLXSA-N 1 1 317.353 -1.524 20 0 DAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1CNCC2 ZINC001157355467 779752105 /nfs/dbraw/zinc/75/21/05/779752105.db2.gz QABAMDMNWSIARR-JTQLQIEISA-N 1 1 308.386 -1.040 20 0 DAADMO CCOC(=O)C1(C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)CNC1 ZINC001157324182 779752372 /nfs/dbraw/zinc/75/23/72/779752372.db2.gz UOVGANUXIKKJDV-JTQLQIEISA-N 1 1 314.386 -1.501 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157510677 779755701 /nfs/dbraw/zinc/75/57/01/779755701.db2.gz ZMUDPVJKPTUJAN-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157510677 779755706 /nfs/dbraw/zinc/75/57/06/779755706.db2.gz ZMUDPVJKPTUJAN-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157498789 779755851 /nfs/dbraw/zinc/75/58/51/779755851.db2.gz JXXIULACVBLVRL-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157498789 779755857 /nfs/dbraw/zinc/75/58/57/779755857.db2.gz JXXIULACVBLVRL-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC(=O)N1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001157508397 779756309 /nfs/dbraw/zinc/75/63/09/779756309.db2.gz UBQDIQMNEGTOMN-LBPRGKRZSA-N 1 1 313.402 -1.353 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721524 779757705 /nfs/dbraw/zinc/75/77/05/779757705.db2.gz ZBLBOFSTPVNILJ-NEPJUHHUSA-N 1 1 300.403 -1.077 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001157746583 779758847 /nfs/dbraw/zinc/75/88/47/779758847.db2.gz UVPXAMSMYXCHLR-SECBINFHSA-N 1 1 308.342 -1.443 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CCN2CCNC2=O)n[nH]1 ZINC001157745727 779759342 /nfs/dbraw/zinc/75/93/42/779759342.db2.gz MIDPBOCLDSLZRM-UHFFFAOYSA-N 1 1 309.374 -1.223 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001157736220 779759358 /nfs/dbraw/zinc/75/93/58/779759358.db2.gz BTHBDKGQXJPAFM-UHFFFAOYSA-N 1 1 303.388 -1.204 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001157912101 779761536 /nfs/dbraw/zinc/76/15/36/779761536.db2.gz JPZQRUCSBPRPSR-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973497 779762905 /nfs/dbraw/zinc/76/29/05/779762905.db2.gz GFUATYAYAQQFOC-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973497 779762907 /nfs/dbraw/zinc/76/29/07/779762907.db2.gz GFUATYAYAQQFOC-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)CC[C@H]([NH3+])C(=O)OC ZINC001157999252 779763754 /nfs/dbraw/zinc/76/37/54/779763754.db2.gz PKXVHEZUCULZMA-UWVGGRQHSA-N 1 1 301.343 -1.370 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)c1cnn2c1C[NH2+]CC2 ZINC001158013641 779764629 /nfs/dbraw/zinc/76/46/29/779764629.db2.gz HEASJUWVMYDBKR-LBPRGKRZSA-N 1 1 307.354 -1.037 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)CNC(=O)NC ZINC001158035711 779765531 /nfs/dbraw/zinc/76/55/31/779765531.db2.gz JVFNLHFLBIXBCR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CNC(=O)NC ZINC001158035711 779765540 /nfs/dbraw/zinc/76/55/40/779765540.db2.gz JVFNLHFLBIXBCR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001158028329 779765616 /nfs/dbraw/zinc/76/56/16/779765616.db2.gz OZJPIDJTUMIIHK-CHWSQXEVSA-N 1 1 316.446 -1.283 20 0 DAADMO N[C@@H](Cc1cscn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158094024 779765823 /nfs/dbraw/zinc/76/58/23/779765823.db2.gz ZJZVOTLMGVPRNJ-GXFFZTMASA-N 1 1 309.395 -1.297 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102436 779766893 /nfs/dbraw/zinc/76/68/93/779766893.db2.gz RXLYKEYZZBBGHR-IINYFYTJSA-N 1 1 309.370 -2.373 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111140 779768785 /nfs/dbraw/zinc/76/87/85/779768785.db2.gz KPSCFBHARKWKRX-IINYFYTJSA-N 1 1 310.354 -2.185 20 0 DAADMO O=C(c1[nH]nc2c1CNCC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111604 779768913 /nfs/dbraw/zinc/76/89/13/779768913.db2.gz PBBXVABUSIIYAM-CQSZACIVSA-N 1 1 304.354 -1.641 20 0 DAADMO O=C(C[C@@H]1COCCN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120598 779769728 /nfs/dbraw/zinc/76/97/28/779769728.db2.gz OJJIUQPVIJGRAW-ABAIWWIYSA-N 1 1 308.382 -1.697 20 0 DAADMO O=C(C[C@H]1COCCN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120601 779769944 /nfs/dbraw/zinc/76/99/44/779769944.db2.gz OJJIUQPVIJGRAW-NHYWBVRUSA-N 1 1 308.382 -1.697 20 0 DAADMO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[N@H+](C)CC(N)=O)c1=O ZINC001158164629 779770082 /nfs/dbraw/zinc/77/00/82/779770082.db2.gz KIHPCLXWOLJZKF-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(N)=O)c1=O ZINC001158164629 779770083 /nfs/dbraw/zinc/77/00/83/779770083.db2.gz KIHPCLXWOLJZKF-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168678 779771267 /nfs/dbraw/zinc/77/12/67/779771267.db2.gz WXZDMNKXZPMRCP-GRYCIOLGSA-N 1 1 316.427 -1.413 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001158311050 779772088 /nfs/dbraw/zinc/77/20/88/779772088.db2.gz UTQDGGCCXNLODI-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO O=C([C@@H]1CNCCC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277986 779772462 /nfs/dbraw/zinc/77/24/62/779772462.db2.gz ZUNQBRURRPCWBU-LLVKDONJSA-N 1 1 318.381 -1.122 20 0 DAADMO O=C([C@H]1CNCCC1=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277987 779773004 /nfs/dbraw/zinc/77/30/04/779773004.db2.gz ZUNQBRURRPCWBU-NSHDSACASA-N 1 1 318.381 -1.122 20 0 DAADMO CN1C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(N)=O)NC1=O ZINC001158335785 779774535 /nfs/dbraw/zinc/77/45/35/779774535.db2.gz CFYRIPMJZSJJIK-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(N)=O)NC1=O ZINC001158335785 779774526 /nfs/dbraw/zinc/77/45/26/779774526.db2.gz CFYRIPMJZSJJIK-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO [NH3+]Cc1cnnn1-c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001158428449 779775075 /nfs/dbraw/zinc/77/50/75/779775075.db2.gz YOGRAYHCVHEKPX-UHFFFAOYSA-N 1 1 302.342 -1.044 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486820 779776305 /nfs/dbraw/zinc/77/63/05/779776305.db2.gz SAQXHNPGSZZPJP-NWDGAFQWSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486820 779776310 /nfs/dbraw/zinc/77/63/10/779776310.db2.gz SAQXHNPGSZZPJP-NWDGAFQWSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158487213 779777027 /nfs/dbraw/zinc/77/70/27/779777027.db2.gz WVWFGOZAYAYMCX-NWDGAFQWSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486822 779777080 /nfs/dbraw/zinc/77/70/80/779777080.db2.gz SAQXHNPGSZZPJP-VXGBXAGGSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486822 779777084 /nfs/dbraw/zinc/77/70/84/779777084.db2.gz SAQXHNPGSZZPJP-VXGBXAGGSA-N 1 1 323.401 -1.331 20 0 DAADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)COC(C)=O ZINC001158496305 779777203 /nfs/dbraw/zinc/77/72/03/779777203.db2.gz MMEGOKGBNZVHNG-FIQHERPVSA-N 1 1 313.354 -1.371 20 0 DAADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)Cn1cccn1 ZINC001158496234 779777280 /nfs/dbraw/zinc/77/72/80/779777280.db2.gz LIOKHBBSVACUPN-ZDEQEGDKSA-N 1 1 321.381 -1.038 20 0 DAADMO COCCN1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001158605355 779777629 /nfs/dbraw/zinc/77/76/29/779777629.db2.gz WVCHMKAEHJHUNL-CQSZACIVSA-N 1 1 313.446 -1.473 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O ZINC001158611885 779778126 /nfs/dbraw/zinc/77/81/26/779778126.db2.gz QBCGTLLKNFJUDU-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)CC1 ZINC001158603002 779778211 /nfs/dbraw/zinc/77/82/11/779778211.db2.gz CXOFENYXTWOXOX-UMSGYPCISA-N 1 1 313.398 -1.092 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159206360 779789086 /nfs/dbraw/zinc/78/90/86/779789086.db2.gz ZZOUSWTWXAOLRK-UHFFFAOYSA-N 1 1 311.386 -1.119 20 0 DAADMO [NH3+]CCCNCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159271562 779792008 /nfs/dbraw/zinc/79/20/08/779792008.db2.gz DZWGFGWJXFYDKQ-OLZOCXBDSA-N 1 1 320.397 -1.169 20 0 DAADMO N[C@@H](CC[NH3+])C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159492295 779793868 /nfs/dbraw/zinc/79/38/68/779793868.db2.gz GULNZJYQHVMMFN-JTQLQIEISA-N 1 1 322.369 -1.600 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001159725383 779795781 /nfs/dbraw/zinc/79/57/81/779795781.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001159725383 779795785 /nfs/dbraw/zinc/79/57/85/779795785.db2.gz IBROSHYIFFINOI-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)CNCCC[NH3+])[C@H]2C1 ZINC001159998852 779798568 /nfs/dbraw/zinc/79/85/68/779798568.db2.gz MULWLRQJRQXUBL-NEPJUHHUSA-N 1 1 318.443 -1.193 20 0 DAADMO O=C(CN1CCOCC1=O)NCCC[NH2+]Cc1csnn1 ZINC001160014920 779799039 /nfs/dbraw/zinc/79/90/39/779799039.db2.gz DOTVJBFDEXKHOY-UHFFFAOYSA-N 1 1 313.383 -1.007 20 0 DAADMO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3COC[NH2+]3)[C@H]2C1 ZINC001159997904 779799057 /nfs/dbraw/zinc/79/90/57/779799057.db2.gz BYWBMTRATOVBLV-VWYCJHECSA-N 1 1 303.384 -1.185 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)CNCCC[NH3+])C2 ZINC001159930739 779799184 /nfs/dbraw/zinc/79/91/84/779799184.db2.gz WPRPQLYZUOZFHI-UHFFFAOYSA-N 1 1 309.374 -1.805 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CCOCC2=O)n1 ZINC001160014923 779799361 /nfs/dbraw/zinc/79/93/61/779799361.db2.gz DTNLPOWIKOVLHQ-UHFFFAOYSA-N 1 1 311.342 -1.167 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086383 779800208 /nfs/dbraw/zinc/80/02/08/779800208.db2.gz HNTUZAZMEQDGAY-FAQVLOEFSA-N 1 1 320.309 -1.811 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160151048 779800316 /nfs/dbraw/zinc/80/03/16/779800316.db2.gz TVQPJGYUHDYXME-SNVBAGLBSA-N 1 1 307.358 -1.315 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001160167517 779800412 /nfs/dbraw/zinc/80/04/12/779800412.db2.gz VVYVWLKDVGKIBC-QMMMGPOBSA-N 1 1 324.341 -1.174 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001160170980 779801395 /nfs/dbraw/zinc/80/13/95/779801395.db2.gz DGSJFANUKCHCKH-FZMZJTMJSA-N 1 1 310.354 -2.076 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001160174282 779801459 /nfs/dbraw/zinc/80/14/59/779801459.db2.gz TXZTXTIAOLWVLY-MJVIPROJSA-N 1 1 309.370 -2.375 20 0 DAADMO Cc1nc([C@@H](C)[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n[nH]1 ZINC001160171851 779801779 /nfs/dbraw/zinc/80/17/79/779801779.db2.gz DJDJBSSBGVQXEN-APPZFPTMSA-N 1 1 323.357 -1.132 20 0 DAADMO Cc1n[nH]c([C@@H](C)[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n1 ZINC001160171851 779801786 /nfs/dbraw/zinc/80/17/86/779801786.db2.gz DJDJBSSBGVQXEN-APPZFPTMSA-N 1 1 323.357 -1.132 20 0 DAADMO CNC(=O)NCC(=O)NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001160285924 779804752 /nfs/dbraw/zinc/80/47/52/779804752.db2.gz LEPJZSHPUYRNGX-GFCCVEGCSA-N 1 1 323.397 -1.058 20 0 DAADMO CNC(=O)NCC(=O)NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001160285925 779805120 /nfs/dbraw/zinc/80/51/20/779805120.db2.gz LEPJZSHPUYRNGX-LBPRGKRZSA-N 1 1 323.397 -1.058 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CCOCC2=O)CC1 ZINC001160392995 779805611 /nfs/dbraw/zinc/80/56/11/779805611.db2.gz VCYUKMGZRBPNIL-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CCOCC2=O)CC1 ZINC001160392995 779805614 /nfs/dbraw/zinc/80/56/14/779805614.db2.gz VCYUKMGZRBPNIL-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001160441220 779808059 /nfs/dbraw/zinc/80/80/59/779808059.db2.gz VOCSUGHTFPBLAW-UWVGGRQHSA-N 1 1 315.326 -1.843 20 0 DAADMO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160493585 779809625 /nfs/dbraw/zinc/80/96/25/779809625.db2.gz NNUOOKKZGCNBNQ-XKSSXDPKSA-N 1 1 318.351 -1.409 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC001160505799 779809669 /nfs/dbraw/zinc/80/96/69/779809669.db2.gz GKKQLEYRQGRIJM-AVGNSLFASA-N 1 1 310.398 -1.085 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1 ZINC001160505800 779809823 /nfs/dbraw/zinc/80/98/23/779809823.db2.gz GKKQLEYRQGRIJM-FRRDWIJNSA-N 1 1 310.398 -1.085 20 0 DAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001160584768 779810963 /nfs/dbraw/zinc/81/09/63/779810963.db2.gz GHHSETFBMSZFPB-NEPJUHHUSA-N 1 1 318.443 -1.746 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCC(OCC(=O)NC3CC3)CC2)C1 ZINC001160742856 779817227 /nfs/dbraw/zinc/81/72/27/779817227.db2.gz RCDPQSMNCBQDHC-GWCFXTLKSA-N 1 1 310.398 -1.038 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160789118 779818571 /nfs/dbraw/zinc/81/85/71/779818571.db2.gz WDVLVFFUQOCFKV-PEXQALLHSA-N 1 1 308.338 -1.021 20 0 DAADMO CCOC(=O)[C@]12CN(C(=O)CNC(=O)CN)C[C@H]1C[NH2+]CC2 ZINC001160805890 779819386 /nfs/dbraw/zinc/81/93/86/779819386.db2.gz GUPDIYVRIHVNLF-QMTHXVAHSA-N 1 1 312.370 -1.938 20 0 DAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)[C@@H](C)O)C[C@H]1C2 ZINC001160792056 779820274 /nfs/dbraw/zinc/82/02/74/779820274.db2.gz MXTWQQFOEKXYRP-QEBKJYJCSA-N 1 1 311.382 -1.448 20 0 DAADMO CN1C[C@@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)NC1=O ZINC001160861619 779821705 /nfs/dbraw/zinc/82/17/05/779821705.db2.gz VBQDRZNDXKKNBV-NSHDSACASA-N 1 1 309.370 -1.366 20 0 DAADMO CN1C[C@@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)NC1=O ZINC001160861619 779821712 /nfs/dbraw/zinc/82/17/12/779821712.db2.gz VBQDRZNDXKKNBV-NSHDSACASA-N 1 1 309.370 -1.366 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1 ZINC001160880171 779821991 /nfs/dbraw/zinc/82/19/91/779821991.db2.gz VAMZVYKTYIIDSV-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(C)[C@@H](C(=O)OC)C1 ZINC001160871048 779822223 /nfs/dbraw/zinc/82/22/23/779822223.db2.gz PXBLJJSRTCSSKV-VHSXEESVSA-N 1 1 301.343 -1.418 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916113 779822639 /nfs/dbraw/zinc/82/26/39/779822639.db2.gz VAZFPHAGUMVZHZ-NSHDSACASA-N 1 1 304.354 -1.269 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160927195 779823137 /nfs/dbraw/zinc/82/31/37/779823137.db2.gz CTVPKHUJLUXXPM-VIFPVBQESA-N 1 1 307.358 -1.164 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161043476 779824408 /nfs/dbraw/zinc/82/44/08/779824408.db2.gz DSRLHNPAOMQVNI-LLVKDONJSA-N 1 1 309.370 -1.448 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161043476 779824414 /nfs/dbraw/zinc/82/44/14/779824414.db2.gz DSRLHNPAOMQVNI-LLVKDONJSA-N 1 1 309.370 -1.448 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001161071172 779824620 /nfs/dbraw/zinc/82/46/20/779824620.db2.gz VUDJIOMCFBYUPQ-CYBMUJFWSA-N 1 1 321.381 -1.132 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161051528 779825483 /nfs/dbraw/zinc/82/54/83/779825483.db2.gz YTIJWRBBFDWSFZ-ONGXEEELSA-N 1 1 309.370 -1.320 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC001161096157 779826844 /nfs/dbraw/zinc/82/68/44/779826844.db2.gz BGHAYRQUSMICNP-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC001161096157 779826851 /nfs/dbraw/zinc/82/68/51/779826851.db2.gz BGHAYRQUSMICNP-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO COC(=O)[C@@]1(N)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161139639 779827873 /nfs/dbraw/zinc/82/78/73/779827873.db2.gz ZMDRLYSLVHATHE-BXUZGUMPSA-N 1 1 313.402 -2.160 20 0 DAADMO CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222184 779831107 /nfs/dbraw/zinc/83/11/07/779831107.db2.gz WSSJVWFFBHIMDH-SRRSOLGSSA-N 1 1 312.414 -1.079 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161270730 779831989 /nfs/dbraw/zinc/83/19/89/779831989.db2.gz QYFXJSIOVHSJBD-ZIAGYGMSSA-N 1 1 311.430 -1.136 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)CNCCC[NH3+])CC1 ZINC001161264599 779832320 /nfs/dbraw/zinc/83/23/20/779832320.db2.gz PNPWTQSZCKUOFU-UHFFFAOYSA-N 1 1 306.432 -1.145 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC001161493176 779839646 /nfs/dbraw/zinc/83/96/46/779839646.db2.gz FMXCNRBYCKYVSD-RWMBFGLXSA-N 1 1 306.366 -1.160 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CCn2cnnn2)CC1 ZINC001161553570 779842823 /nfs/dbraw/zinc/84/28/23/779842823.db2.gz GKKFHIJQYNRNLL-UHFFFAOYSA-N 1 1 307.358 -1.313 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CCn2cnnn2)CC1 ZINC001161553570 779842830 /nfs/dbraw/zinc/84/28/30/779842830.db2.gz GKKFHIJQYNRNLL-UHFFFAOYSA-N 1 1 307.358 -1.313 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161690509 779843778 /nfs/dbraw/zinc/84/37/78/779843778.db2.gz CFHZJZGKLGLFDF-MRVPVSSYSA-N 1 1 311.346 -1.252 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001161706988 779844854 /nfs/dbraw/zinc/84/48/54/779844854.db2.gz MFUHRRZNAZGGEV-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707331 779845202 /nfs/dbraw/zinc/84/52/02/779845202.db2.gz SORBPHOKKUZPFN-QWRGUYRKSA-N 1 1 315.374 -1.073 20 0 DAADMO O=C(NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnn[nH]1 ZINC001161707494 779845702 /nfs/dbraw/zinc/84/57/02/779845702.db2.gz ZJJBXSUSMVUMEY-SECBINFHSA-N 1 1 324.341 -1.976 20 0 DAADMO COCC1(CNC(=O)CNC(C)=O)CC[NH+](CC(N)=O)CC1 ZINC001162067313 779850498 /nfs/dbraw/zinc/85/04/98/779850498.db2.gz ANJMDBSHTHTUNL-UHFFFAOYSA-N 1 1 314.386 -1.547 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(CN3CCOCC3)cn2)[C@H]2NCN[C@H]21 ZINC001162435489 779852445 /nfs/dbraw/zinc/85/24/45/779852445.db2.gz CSEYKSXWLMYPKI-RRFJBIMHSA-N 1 1 319.413 -1.589 20 0 DAADMO [NH3+][C@@H]1NCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@@H]2NCN[C@H]21 ZINC001162437620 779853053 /nfs/dbraw/zinc/85/30/53/779853053.db2.gz CHLASYJDQMXZHK-UMNHJUIQSA-N 1 1 309.761 -1.274 20 0 DAADMO CCOc1ccc(C(=O)OC)c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162437446 779853144 /nfs/dbraw/zinc/85/31/44/779853144.db2.gz BXTNDDFWWSZBFM-NTZNESFSSA-N 1 1 322.369 -1.236 20 0 DAADMO COC(=O)c1c[nH]c2nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ccc12 ZINC001162437149 779853234 /nfs/dbraw/zinc/85/32/34/779853234.db2.gz AYIVSTHWSPYQAI-MDZLAQPJSA-N 1 1 317.353 -1.154 20 0 DAADMO CCOC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1C ZINC001162437135 779853439 /nfs/dbraw/zinc/85/34/39/779853439.db2.gz AXYFUXHNQJSULA-JFGNBEQYSA-N 1 1 307.358 -1.541 20 0 DAADMO CSc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162437810 779853525 /nfs/dbraw/zinc/85/35/25/779853525.db2.gz VVPPWFDAIIVEDR-NGJCXOISSA-N 1 1 302.795 -1.256 20 0 DAADMO COC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1OC ZINC001162436347 779853766 /nfs/dbraw/zinc/85/37/66/779853766.db2.gz KILXYLUETWAVFQ-GRYCIOLGSA-N 1 1 308.342 -1.626 20 0 DAADMO COC(=O)c1cnc(Cl)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162437245 779853805 /nfs/dbraw/zinc/85/38/05/779853805.db2.gz SXLZHRCBZMPILL-ACLDMZEESA-N 1 1 313.749 -1.587 20 0 DAADMO COC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1OC ZINC001162436348 779853887 /nfs/dbraw/zinc/85/38/87/779853887.db2.gz KILXYLUETWAVFQ-SDDRHHMPSA-N 1 1 308.342 -1.626 20 0 DAADMO [NH3+][C@@H]1NCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@H]2NCN[C@@H]21 ZINC001162437611 779853973 /nfs/dbraw/zinc/85/39/73/779853973.db2.gz CHLASYJDQMXZHK-CKYFFXLPSA-N 1 1 309.761 -1.274 20 0 DAADMO CCOC(=O)Cc1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162437591 779854053 /nfs/dbraw/zinc/85/40/53/779854053.db2.gz VGMUMDMGXDEVDB-OBJOEFQTSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOC(=O)c1cc(C)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162437831 779854191 /nfs/dbraw/zinc/85/41/91/779854191.db2.gz WCMALYMOEQFBBZ-DCAQKATOSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOc1ccc(C(=O)OC)c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162437444 779854396 /nfs/dbraw/zinc/85/43/96/779854396.db2.gz BXTNDDFWWSZBFM-GVXVVHGQSA-N 1 1 322.369 -1.236 20 0 DAADMO CCOC(=O)c1c(C)ncnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162439914 779854794 /nfs/dbraw/zinc/85/47/94/779854794.db2.gz PAZZHTLGBLKIID-JFGNBEQYSA-N 1 1 307.358 -1.541 20 0 DAADMO COC(=O)c1cc(OC)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162438672 779854848 /nfs/dbraw/zinc/85/48/48/779854848.db2.gz HGKMXSWGVRCRQX-NHCYSSNCSA-N 1 1 308.342 -1.626 20 0 DAADMO CCOC(=O)c1cc(F)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162438392 779854896 /nfs/dbraw/zinc/85/48/96/779854896.db2.gz YAVLUNZHBAYDQX-SCVCMEIPSA-N 1 1 310.333 -1.106 20 0 DAADMO COC(=O)c1c[nH]c2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c12 ZINC001162438605 779855380 /nfs/dbraw/zinc/85/53/80/779855380.db2.gz GVIDKEPAVJSDMT-VDDIYKPWSA-N 1 1 318.341 -1.759 20 0 DAADMO CCOC(=O)c1c(C)ncnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162439915 779855700 /nfs/dbraw/zinc/85/57/00/779855700.db2.gz PAZZHTLGBLKIID-NHCYSSNCSA-N 1 1 307.358 -1.541 20 0 DAADMO COCc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc(SC)n1 ZINC001162439024 779855733 /nfs/dbraw/zinc/85/57/33/779855733.db2.gz JVFIGUPLFMLKQA-DCAQKATOSA-N 1 1 311.415 -1.158 20 0 DAADMO CNC(=O)c1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1Cl ZINC001162439060 779855765 /nfs/dbraw/zinc/85/57/65/779855765.db2.gz KATPNUHTFYAHDU-GARJFASQSA-N 1 1 311.777 -1.409 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162439494 779855978 /nfs/dbraw/zinc/85/59/78/779855978.db2.gz LZFVZDWOJHGZHB-YWVKMMECSA-N 1 1 323.357 -1.841 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc2N1C ZINC001162441448 779856451 /nfs/dbraw/zinc/85/64/51/779856451.db2.gz XZWGBIJSMZXAFF-CNABLZDZSA-N 1 1 319.373 -2.250 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162443822 779856537 /nfs/dbraw/zinc/85/65/37/779856537.db2.gz KCELZQDWXSERIW-TUAOUCFPSA-N 1 1 304.358 -2.134 20 0 DAADMO COC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1OC ZINC001162442355 779856615 /nfs/dbraw/zinc/85/66/15/779856615.db2.gz BFPMEJQJYDQNNA-FKTZTGRPSA-N 1 1 309.330 -2.231 20 0 DAADMO C[C@@H]1CC(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c21 ZINC001162441202 779856939 /nfs/dbraw/zinc/85/69/39/779856939.db2.gz XKSJPVOAYKPDON-OOTYZCTGSA-N 1 1 304.358 -1.581 20 0 DAADMO Cn1c(=O)ccc2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc21 ZINC001162441995 779857001 /nfs/dbraw/zinc/85/70/01/779857001.db2.gz ZYYUIPBCGFRBCA-OBJOEFQTSA-N 1 1 301.354 -1.570 20 0 DAADMO Cn1c(=O)ccc2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc21 ZINC001162441990 779857011 /nfs/dbraw/zinc/85/70/11/779857011.db2.gz ZYYUIPBCGFRBCA-DYEKYZERSA-N 1 1 301.354 -1.570 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncc3ncnc(Cl)c3n2)[C@@H]2NCN[C@@H]21 ZINC001162444393 779857336 /nfs/dbraw/zinc/85/73/36/779857336.db2.gz BJTQUFIPAAPEAG-QNSHHTMESA-N 1 1 307.749 -1.430 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)nn2)[C@H]2NCN[C@H]21 ZINC001162443821 779857376 /nfs/dbraw/zinc/85/73/76/779857376.db2.gz KCELZQDWXSERIW-QJPTWQEYSA-N 1 1 304.358 -2.134 20 0 DAADMO COC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1OC ZINC001162442357 779857518 /nfs/dbraw/zinc/85/75/18/779857518.db2.gz BFPMEJQJYDQNNA-JEZHCXPESA-N 1 1 309.330 -2.231 20 0 DAADMO Cn1c(=O)ccc2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc21 ZINC001162441992 779857645 /nfs/dbraw/zinc/85/76/45/779857645.db2.gz ZYYUIPBCGFRBCA-MBNYWOFBSA-N 1 1 301.354 -1.570 20 0 DAADMO COCCOC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001162443417 779857723 /nfs/dbraw/zinc/85/77/23/779857723.db2.gz GZCZTOBBJSUHLC-AGIUHOORSA-N 1 1 322.369 -1.618 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(OC)c1 ZINC001162441533 779857761 /nfs/dbraw/zinc/85/77/61/779857761.db2.gz YPDDKHFHWOSIPK-GMXVVIOVSA-N 1 1 322.369 -1.236 20 0 DAADMO CCOC(=O)c1cnc(CC)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162444839 779858103 /nfs/dbraw/zinc/85/81/03/779858103.db2.gz QPSDSQCXSQXLPD-GVXVVHGQSA-N 1 1 321.385 -1.287 20 0 DAADMO CN1CCc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1 ZINC001162446074 779858153 /nfs/dbraw/zinc/85/81/53/779858153.db2.gz YBVUDDGZRXHONP-JBLDHEPKSA-N 1 1 324.820 -1.385 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2ccc(Cl)nn2)[C@H]2NCN[C@@H]21 ZINC001162444698 779858236 /nfs/dbraw/zinc/85/82/36/779858236.db2.gz QDFHWXNTPRSQTC-KYXWUPHJSA-N 1 1 303.729 -1.246 20 0 DAADMO CNC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162444893 779858251 /nfs/dbraw/zinc/85/82/51/779858251.db2.gz QZDDLPZAQMPKEC-XHNCKOQMSA-N 1 1 312.765 -2.014 20 0 DAADMO Cc1noc(-c2ccnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2)n1 ZINC001162445112 779858272 /nfs/dbraw/zinc/85/82/72/779858272.db2.gz FAXKNWDEGTUADF-SRVKXCTJSA-N 1 1 302.342 -1.063 20 0 DAADMO CN1CCc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2C1 ZINC001162446076 779858296 /nfs/dbraw/zinc/85/82/96/779858296.db2.gz YBVUDDGZRXHONP-NHCYSSNCSA-N 1 1 324.820 -1.385 20 0 DAADMO CCCNC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1 ZINC001162445657 779858435 /nfs/dbraw/zinc/85/84/35/779858435.db2.gz GFFLLSNULMARCV-RWMBFGLXSA-N 1 1 305.386 -1.282 20 0 DAADMO Cc1cc2c(c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n1)C(=O)NC2=O ZINC001162444998 779858868 /nfs/dbraw/zinc/85/88/68/779858868.db2.gz DKKJEDLXJAMTRT-QXEWZRGKSA-N 1 1 303.326 -2.229 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(N3CCCCC3)n2)[C@@H]2NCN[C@H]21 ZINC001162445584 779859059 /nfs/dbraw/zinc/85/90/59/779859059.db2.gz FOWGCXMZCKYIKQ-XQQFMLRXSA-N 1 1 304.402 -1.036 20 0 DAADMO [NH3+][C@@H]1NCN(c2cncc(N3CCCCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162449587 779859758 /nfs/dbraw/zinc/85/97/58/779859758.db2.gz WDZYYMCNYBQHMS-MCIONIFRSA-N 1 1 304.402 -1.036 20 0 DAADMO Cc1noc(-c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc2)n1 ZINC001162448980 779859812 /nfs/dbraw/zinc/85/98/12/779859812.db2.gz SODQTRUTHDBGEA-GRYCIOLGSA-N 1 1 302.342 -1.063 20 0 DAADMO CON(C)C(=O)c1cc(C)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162448514 779860062 /nfs/dbraw/zinc/86/00/62/779860062.db2.gz QSWVJUSTDMBKTM-GVXVVHGQSA-N 1 1 321.385 -1.480 20 0 DAADMO CNS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1 ZINC001162446895 779860270 /nfs/dbraw/zinc/86/02/70/779860270.db2.gz JTCFBZGSLOQKRL-OUAUKWLOSA-N 1 1 313.387 -2.513 20 0 DAADMO COCC1(CNC(=O)Cc2nc[nH]n2)CC[NH+](CC(N)=O)CC1 ZINC001162576525 779861960 /nfs/dbraw/zinc/86/19/60/779861960.db2.gz IPKSJZAIQBEHBP-UHFFFAOYSA-N 1 1 324.385 -1.323 20 0 DAADMO NC(=O)C(=O)NCc1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC001163030633 779862991 /nfs/dbraw/zinc/86/29/91/779862991.db2.gz XYLZHFKVMGRNCP-UHFFFAOYSA-N 1 1 320.393 -1.102 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001163283358 779866536 /nfs/dbraw/zinc/86/65/36/779866536.db2.gz MOFPQDCRWLYEQN-UHFFFAOYSA-N 1 1 320.375 -1.972 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1cnsn1 ZINC001163283750 779866554 /nfs/dbraw/zinc/86/65/54/779866554.db2.gz UIVOQBSJXYBSGC-UHFFFAOYSA-N 1 1 322.416 -1.812 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CCNC(=O)C2)o1 ZINC001163880519 779871628 /nfs/dbraw/zinc/87/16/28/779871628.db2.gz LKQUZYBGVVAYFS-UHFFFAOYSA-N 1 1 310.358 -1.594 20 0 DAADMO Cc1noc([C@@H](C)[NH2+]CCCNC(=O)CN2CCNC(=O)C2)n1 ZINC001163883151 779871886 /nfs/dbraw/zinc/87/18/86/779871886.db2.gz GBVNWVFSSFPHSJ-SNVBAGLBSA-N 1 1 324.385 -1.033 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@@H]2CCNC2=O)n1 ZINC001163943929 779874448 /nfs/dbraw/zinc/87/44/48/779874448.db2.gz QJHOFRNUMXPDKW-VIFPVBQESA-N 1 1 310.358 -1.132 20 0 DAADMO OC[C@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@H]1O ZINC001164544168 779879354 /nfs/dbraw/zinc/87/93/54/779879354.db2.gz IAQNNTAQDPBSHR-ZWNOBZJWSA-N 1 1 321.381 -1.294 20 0 DAADMO COC(=O)[C@@H]1CNCCN1c1ccc(N2CC[NH2+]CC2)nn1 ZINC001165437446 779883913 /nfs/dbraw/zinc/88/39/13/779883913.db2.gz SAAOPIGJSHDZLW-NSHDSACASA-N 1 1 306.370 -1.163 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001165468329 779884260 /nfs/dbraw/zinc/88/42/60/779884260.db2.gz RWODQCWRPIHIFS-MRVPVSSYSA-N 1 1 311.346 -1.587 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CCCO ZINC001165732333 779887866 /nfs/dbraw/zinc/88/78/66/779887866.db2.gz ZASSEDYNVZYMCM-ZDUSSCGKSA-N 1 1 311.386 -1.065 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1=NC(=O)N(C)C1 ZINC001165837945 779888695 /nfs/dbraw/zinc/88/86/95/779888695.db2.gz OJODFSJMBBBYQL-UHFFFAOYSA-N 1 1 312.330 -1.709 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)C1=NC(=O)N(C)C1)C(=O)NC(N)=O ZINC001165869791 779889089 /nfs/dbraw/zinc/88/90/89/779889089.db2.gz YCBXRLZUYHVVDQ-SSDOTTSWSA-N 1 1 312.330 -1.581 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)=NC1=O ZINC001165837939 779889117 /nfs/dbraw/zinc/88/91/17/779889117.db2.gz OIOVVCUTKJQZML-MRVPVSSYSA-N 1 1 309.326 -1.360 20 0 DAADMO NC(=O)[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[NH2+]1 ZINC001166724653 779891595 /nfs/dbraw/zinc/89/15/95/779891595.db2.gz SUAHPCPARBUDAJ-LURJTMIESA-N 1 1 319.774 -1.354 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707249 779891639 /nfs/dbraw/zinc/89/16/39/779891639.db2.gz FBBVFOXUUCGTHM-MNOVXSKESA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001166707249 779891646 /nfs/dbraw/zinc/89/16/46/779891646.db2.gz FBBVFOXUUCGTHM-MNOVXSKESA-N 1 1 310.402 -1.098 20 0 DAADMO NC(=O)[C@H]1CCCN1c1cc(N2CC[NH2+][C@H](C(N)=O)C2)ncn1 ZINC001166724386 779892172 /nfs/dbraw/zinc/89/21/72/779892172.db2.gz PMUARLWHTCUZLU-VHSXEESVSA-N 1 1 319.369 -1.806 20 0 DAADMO CCNS(=O)(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)nc1 ZINC001166723568 779892190 /nfs/dbraw/zinc/89/21/90/779892190.db2.gz BBCYAJVJRXTABW-JTQLQIEISA-N 1 1 313.383 -1.357 20 0 DAADMO NC(=O)[C@H]1CN(c2ccnc(-n3ccccc3=O)n2)CC[NH2+]1 ZINC001166724713 779892269 /nfs/dbraw/zinc/89/22/69/779892269.db2.gz UUQFOTOYCAJOPU-SNVBAGLBSA-N 1 1 300.322 -1.109 20 0 DAADMO CCNS(=O)(=O)c1cccnc1N1CC[NH2+][C@H](C(N)=O)C1 ZINC001166725518 779892320 /nfs/dbraw/zinc/89/23/20/779892320.db2.gz OBRZNPUQARTZFS-VIFPVBQESA-N 1 1 313.383 -1.357 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001166805063 779893160 /nfs/dbraw/zinc/89/31/60/779893160.db2.gz DXDIHPLUTJYWFA-BDAKNGLRSA-N 1 1 311.342 -1.067 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001166726048 779893717 /nfs/dbraw/zinc/89/37/17/779893717.db2.gz VMIUESKSBPGXDP-SECBINFHSA-N 1 1 309.326 -1.075 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166949397 779895983 /nfs/dbraw/zinc/89/59/83/779895983.db2.gz OFAQKFFBSCYQSU-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166949397 779895988 /nfs/dbraw/zinc/89/59/88/779895988.db2.gz OFAQKFFBSCYQSU-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH]nn1)C(=O)NC(N)=O ZINC001166974531 779896593 /nfs/dbraw/zinc/89/65/93/779896593.db2.gz JUQLVQBNHFANFN-MRVPVSSYSA-N 1 1 311.346 -1.583 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)CCc1cnn[nH]1)C(=O)NC(N)=O ZINC001166974531 779896598 /nfs/dbraw/zinc/89/65/98/779896598.db2.gz JUQLVQBNHFANFN-MRVPVSSYSA-N 1 1 311.346 -1.583 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001276423945 779898155 /nfs/dbraw/zinc/89/81/55/779898155.db2.gz XLUXRGJIFWZSQW-SECBINFHSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001276420729 779898558 /nfs/dbraw/zinc/89/85/58/779898558.db2.gz CGAABSKJHVQNTR-ONGXEEELSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CCCC(N)=O)CC2)n1 ZINC001204092429 779899323 /nfs/dbraw/zinc/89/93/23/779899323.db2.gz IMRBGBDJIGDLDF-UHFFFAOYSA-N 1 1 309.374 -1.054 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001205715373 779902547 /nfs/dbraw/zinc/90/25/47/779902547.db2.gz KIAPOQNTOULGHV-ZYHUDNBSSA-N 1 1 324.381 -1.333 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001205715373 779902552 /nfs/dbraw/zinc/90/25/52/779902552.db2.gz KIAPOQNTOULGHV-ZYHUDNBSSA-N 1 1 324.381 -1.333 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205715427 779902718 /nfs/dbraw/zinc/90/27/18/779902718.db2.gz MOQKYMRORRADDR-OPRDCNLKSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205715427 779902721 /nfs/dbraw/zinc/90/27/21/779902721.db2.gz MOQKYMRORRADDR-OPRDCNLKSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001205425379 779902931 /nfs/dbraw/zinc/90/29/31/779902931.db2.gz PVZKFDFJFQCWNC-UHFFFAOYSA-N 1 1 324.389 -1.533 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896264 779904034 /nfs/dbraw/zinc/90/40/34/779904034.db2.gz PIVGMNGAUSISFS-HRDYMLBCSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896264 779904037 /nfs/dbraw/zinc/90/40/37/779904037.db2.gz PIVGMNGAUSISFS-HRDYMLBCSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896265 779904091 /nfs/dbraw/zinc/90/40/91/779904091.db2.gz PIVGMNGAUSISFS-IWSPIJDZSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896265 779904098 /nfs/dbraw/zinc/90/40/98/779904098.db2.gz PIVGMNGAUSISFS-IWSPIJDZSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896302 779904182 /nfs/dbraw/zinc/90/41/82/779904182.db2.gz QOOCHOGNCNGWNK-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896302 779904185 /nfs/dbraw/zinc/90/41/85/779904185.db2.gz QOOCHOGNCNGWNK-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896292 779904818 /nfs/dbraw/zinc/90/48/18/779904818.db2.gz PXBXUOXAIVMAKM-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896292 779904821 /nfs/dbraw/zinc/90/48/21/779904821.db2.gz PXBXUOXAIVMAKM-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC001205757234 779905073 /nfs/dbraw/zinc/90/50/73/779905073.db2.gz TURPFNHEWUAYBH-MRVWCRGKSA-N 1 1 323.397 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205965467 779905856 /nfs/dbraw/zinc/90/58/56/779905856.db2.gz VBPMIAAVSXSEDD-GHMZBOCLSA-N 1 1 322.369 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205965467 779905861 /nfs/dbraw/zinc/90/58/61/779905861.db2.gz VBPMIAAVSXSEDD-GHMZBOCLSA-N 1 1 322.369 -1.225 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053584 779905902 /nfs/dbraw/zinc/90/59/02/779905902.db2.gz MTBMUKNBCSNMHD-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053584 779905906 /nfs/dbraw/zinc/90/59/06/779905906.db2.gz MTBMUKNBCSNMHD-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937926 779906582 /nfs/dbraw/zinc/90/65/82/779906582.db2.gz YXYIMZOWBRQDNV-MWLCHTKSSA-N 1 1 309.374 -1.097 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937926 779906587 /nfs/dbraw/zinc/90/65/87/779906587.db2.gz YXYIMZOWBRQDNV-MWLCHTKSSA-N 1 1 309.374 -1.097 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206301882 779907660 /nfs/dbraw/zinc/90/76/60/779907660.db2.gz YESKTIMSBFGEJT-OUAUKWLOSA-N 1 1 303.359 -1.214 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001206130590 779908299 /nfs/dbraw/zinc/90/82/99/779908299.db2.gz RXSJAWDHHRWNLI-RAIGVLPGSA-N 1 1 301.387 -1.092 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206301423 779908427 /nfs/dbraw/zinc/90/84/27/779908427.db2.gz OZSZFUOIDNDHDE-HTQZYQBOSA-N 1 1 315.330 -2.026 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206301423 779908433 /nfs/dbraw/zinc/90/84/33/779908433.db2.gz OZSZFUOIDNDHDE-HTQZYQBOSA-N 1 1 315.330 -2.026 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206598377 779909100 /nfs/dbraw/zinc/90/91/00/779909100.db2.gz FBCUVERNSAJGRC-OPRDCNLKSA-N 1 1 300.359 -1.100 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206598377 779909105 /nfs/dbraw/zinc/90/91/05/779909105.db2.gz FBCUVERNSAJGRC-OPRDCNLKSA-N 1 1 300.359 -1.100 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001206726994 779910489 /nfs/dbraw/zinc/91/04/89/779910489.db2.gz YTURMDUSHHZMNP-HBNTYKKESA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001206726994 779910496 /nfs/dbraw/zinc/91/04/96/779910496.db2.gz YTURMDUSHHZMNP-HBNTYKKESA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001206867032 779910659 /nfs/dbraw/zinc/91/06/59/779910659.db2.gz HDXQWYXDJOWKQO-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206712765 779910865 /nfs/dbraw/zinc/91/08/65/779910865.db2.gz DVRTVRZKVDFKHG-WCABBAIRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001206712765 779910869 /nfs/dbraw/zinc/91/08/69/779910869.db2.gz DVRTVRZKVDFKHG-WCABBAIRSA-N 1 1 322.369 -1.028 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726816 779911053 /nfs/dbraw/zinc/91/10/53/779911053.db2.gz UVIOVOQGQWLQFF-HRDYMLBCSA-N 1 1 313.358 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726816 779911055 /nfs/dbraw/zinc/91/10/55/779911055.db2.gz UVIOVOQGQWLQFF-HRDYMLBCSA-N 1 1 313.358 -1.858 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC(N)=O ZINC001206721058 779911079 /nfs/dbraw/zinc/91/10/79/779911079.db2.gz NSDFQSXRSGWXIS-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CC(N)=O ZINC001206721058 779911081 /nfs/dbraw/zinc/91/10/81/779911081.db2.gz NSDFQSXRSGWXIS-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001206880058 779911345 /nfs/dbraw/zinc/91/13/45/779911345.db2.gz WONKUBKJIVNOLV-MCIONIFRSA-N 1 1 315.414 -1.238 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206890783 779912140 /nfs/dbraw/zinc/91/21/40/779912140.db2.gz HQTBGTFEWHVVEP-MXWKQRLJSA-N 1 1 324.381 -1.246 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001206890724 779912164 /nfs/dbraw/zinc/91/21/64/779912164.db2.gz FOONRBRYXRKXIL-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001206880059 779912175 /nfs/dbraw/zinc/91/21/75/779912175.db2.gz WONKUBKJIVNOLV-MGPQQGTHSA-N 1 1 315.414 -1.238 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882060 779912513 /nfs/dbraw/zinc/91/25/13/779912513.db2.gz DMQXCYSNUPXUOD-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882060 779912519 /nfs/dbraw/zinc/91/25/19/779912519.db2.gz DMQXCYSNUPXUOD-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001206899376 779912766 /nfs/dbraw/zinc/91/27/66/779912766.db2.gz HLTPOZIACKOMOB-DDTOSNHZSA-N 1 1 313.398 -1.092 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001206903284 779912886 /nfs/dbraw/zinc/91/28/86/779912886.db2.gz VIMJWLCYEZYYOG-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001206890725 779913275 /nfs/dbraw/zinc/91/32/75/779913275.db2.gz FOONRBRYXRKXIL-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001206918952 779913704 /nfs/dbraw/zinc/91/37/04/779913704.db2.gz AUKYFISUAJGCFR-GMTAPVOTSA-N 1 1 301.343 -1.460 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001206903966 779914042 /nfs/dbraw/zinc/91/40/42/779914042.db2.gz AICGMSUCZWQQGL-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001206903966 779914047 /nfs/dbraw/zinc/91/40/47/779914047.db2.gz AICGMSUCZWQQGL-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001206919124 779914512 /nfs/dbraw/zinc/91/45/12/779914512.db2.gz IVGAYBAZUZUUOX-BWZBUEFSSA-N 1 1 313.314 -2.274 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001206919124 779914514 /nfs/dbraw/zinc/91/45/14/779914514.db2.gz IVGAYBAZUZUUOX-BWZBUEFSSA-N 1 1 313.314 -2.274 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)CCNC(N)=O)CC2)n1 ZINC001206919850 779914626 /nfs/dbraw/zinc/91/46/26/779914626.db2.gz NNUGFFLPVJTODJ-UHFFFAOYSA-N 1 1 324.389 -1.403 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)NC(N)=O ZINC001206970525 779915399 /nfs/dbraw/zinc/91/53/99/779915399.db2.gz VEWPIXNEOHCUGN-IJLUTSLNSA-N 1 1 316.402 -1.121 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)NC(N)=O ZINC001206966744 779915787 /nfs/dbraw/zinc/91/57/87/779915787.db2.gz WNQHRVXVLZJFKS-OUAUKWLOSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)NC(N)=O ZINC001206966744 779915793 /nfs/dbraw/zinc/91/57/93/779915793.db2.gz WNQHRVXVLZJFKS-OUAUKWLOSA-N 1 1 313.402 -1.042 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001206965302 779915946 /nfs/dbraw/zinc/91/59/46/779915946.db2.gz WTLPNLSNCGZOCH-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001206965302 779915949 /nfs/dbraw/zinc/91/59/49/779915949.db2.gz WTLPNLSNCGZOCH-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001206993578 779917235 /nfs/dbraw/zinc/91/72/35/779917235.db2.gz YWPHRJBSSLBMNY-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001207109304 779917602 /nfs/dbraw/zinc/91/76/02/779917602.db2.gz SKEJJEKTTMZDNF-ONGXEEELSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207152686 779917886 /nfs/dbraw/zinc/91/78/86/779917886.db2.gz AJDFNYOFNROOLR-NXEZZACHSA-N 1 1 323.357 -1.830 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207152686 779917891 /nfs/dbraw/zinc/91/78/91/779917891.db2.gz AJDFNYOFNROOLR-NXEZZACHSA-N 1 1 323.357 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001207109300 779917952 /nfs/dbraw/zinc/91/79/52/779917952.db2.gz SKEJJEKTTMZDNF-GXSJLCMTSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207176999 779919186 /nfs/dbraw/zinc/91/91/86/779919186.db2.gz GFCUKEHVLQQEQO-KOLCDFICSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001207153064 779919198 /nfs/dbraw/zinc/91/91/98/779919198.db2.gz NDAKCGSGQAHDGM-RKDXNWHRSA-N 1 1 309.330 -2.091 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001207153064 779919201 /nfs/dbraw/zinc/91/92/01/779919201.db2.gz NDAKCGSGQAHDGM-RKDXNWHRSA-N 1 1 309.330 -2.091 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207298901 779919686 /nfs/dbraw/zinc/91/96/86/779919686.db2.gz QVZQKSZWNLJMEE-OUAUKWLOSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001207274620 779920239 /nfs/dbraw/zinc/92/02/39/779920239.db2.gz WPXYJUISKKRONY-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307039 779920408 /nfs/dbraw/zinc/92/04/08/779920408.db2.gz PCSDUYYTSCLRBI-OUAUKWLOSA-N 1 1 307.416 -1.305 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207266383 779920483 /nfs/dbraw/zinc/92/04/83/779920483.db2.gz IPGBDPPWIOHBCV-JTQLQIEISA-N 1 1 324.389 -1.168 20 0 DAADMO COCCOCC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001276531757 779921175 /nfs/dbraw/zinc/92/11/75/779921175.db2.gz GKZDDBDPIKXYDH-AWEZNQCLSA-N 1 1 302.371 -1.055 20 0 DAADMO COCCOCC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001276531757 779921179 /nfs/dbraw/zinc/92/11/79/779921179.db2.gz GKZDDBDPIKXYDH-AWEZNQCLSA-N 1 1 302.371 -1.055 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207331110 779921533 /nfs/dbraw/zinc/92/15/33/779921533.db2.gz NEGQPTUDGDGUEZ-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207489708 779922096 /nfs/dbraw/zinc/92/20/96/779922096.db2.gz PELJAIAYMCMKNV-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001207364916 779922133 /nfs/dbraw/zinc/92/21/33/779922133.db2.gz JYLOHBLARBJSBW-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001207364916 779922137 /nfs/dbraw/zinc/92/21/37/779922137.db2.gz JYLOHBLARBJSBW-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC001207628626 779922991 /nfs/dbraw/zinc/92/29/91/779922991.db2.gz JGYWTKFDOGVZIA-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207683727 779923211 /nfs/dbraw/zinc/92/32/11/779923211.db2.gz GUOMVUMKUXDRPU-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001207587090 779923792 /nfs/dbraw/zinc/92/37/92/779923792.db2.gz IQVUSAGCXLVFNN-DGCLKSJQSA-N 1 1 324.381 -1.161 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207740025 779926265 /nfs/dbraw/zinc/92/62/65/779926265.db2.gz KIBHVCFXXDIWEM-PSASIEDQSA-N 1 1 313.358 -2.840 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207740025 779926270 /nfs/dbraw/zinc/92/62/70/779926270.db2.gz KIBHVCFXXDIWEM-PSASIEDQSA-N 1 1 313.358 -2.840 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207871799 779928172 /nfs/dbraw/zinc/92/81/72/779928172.db2.gz BSXITABYMGOYPL-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207901485 779929146 /nfs/dbraw/zinc/92/91/46/779929146.db2.gz BQOJZPKOGNHWKH-GMTAPVOTSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207901485 779929153 /nfs/dbraw/zinc/92/91/53/779929153.db2.gz BQOJZPKOGNHWKH-GMTAPVOTSA-N 1 1 324.381 -1.164 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001208042338 779931617 /nfs/dbraw/zinc/93/16/17/779931617.db2.gz WTLCKJORXYMADY-GRYCIOLGSA-N 1 1 324.381 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001208042339 779931844 /nfs/dbraw/zinc/93/18/44/779931844.db2.gz WTLCKJORXYMADY-IJLUTSLNSA-N 1 1 324.381 -1.162 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001208041834 779931871 /nfs/dbraw/zinc/93/18/71/779931871.db2.gz MUUKJFNBGGWDNP-ZJUUUORDSA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001208138032 779932931 /nfs/dbraw/zinc/93/29/31/779932931.db2.gz HGGDSOIFOLXEDA-IWSPIJDZSA-N 1 1 321.403 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001208138032 779932935 /nfs/dbraw/zinc/93/29/35/779932935.db2.gz HGGDSOIFOLXEDA-IWSPIJDZSA-N 1 1 321.403 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208138582 779933270 /nfs/dbraw/zinc/93/32/70/779933270.db2.gz LKNWCBDWRHZLNA-HTQZYQBOSA-N 1 1 307.376 -3.038 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208138582 779933280 /nfs/dbraw/zinc/93/32/80/779933280.db2.gz LKNWCBDWRHZLNA-HTQZYQBOSA-N 1 1 307.376 -3.038 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001208138031 779933843 /nfs/dbraw/zinc/93/38/43/779933843.db2.gz HGGDSOIFOLXEDA-HRDYMLBCSA-N 1 1 321.403 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001208138031 779933849 /nfs/dbraw/zinc/93/38/49/779933849.db2.gz HGGDSOIFOLXEDA-HRDYMLBCSA-N 1 1 321.403 -2.650 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001208278832 779936314 /nfs/dbraw/zinc/93/63/14/779936314.db2.gz BQWBYJFRIYFMGZ-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208366567 779937196 /nfs/dbraw/zinc/93/71/96/779937196.db2.gz FPSWUUSVWZHKOT-OWSRUXPGSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208366567 779937201 /nfs/dbraw/zinc/93/72/01/779937201.db2.gz FPSWUUSVWZHKOT-OWSRUXPGSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001208301489 779937923 /nfs/dbraw/zinc/93/79/23/779937923.db2.gz DKHRIJXTCUBPPL-IJLUTSLNSA-N 1 1 301.387 -1.057 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001208297957 779937997 /nfs/dbraw/zinc/93/79/97/779937997.db2.gz ACFWEMSHLPSUMF-MXWKQRLJSA-N 1 1 311.386 -1.417 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001208297957 779938000 /nfs/dbraw/zinc/93/80/00/779938000.db2.gz ACFWEMSHLPSUMF-MXWKQRLJSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001208298678 779938171 /nfs/dbraw/zinc/93/81/71/779938171.db2.gz XQGBRVKBLROMBU-UTUOFQBUSA-N 1 1 314.386 -1.545 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444783 779939134 /nfs/dbraw/zinc/93/91/34/779939134.db2.gz IGHMTQNUJBUPPG-IJLUTSLNSA-N 1 1 314.386 -1.233 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001208425542 779939454 /nfs/dbraw/zinc/93/94/54/779939454.db2.gz MULRFGITRTZHPP-ZYHUDNBSSA-N 1 1 309.370 -1.019 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001208425542 779939458 /nfs/dbraw/zinc/93/94/58/779939458.db2.gz MULRFGITRTZHPP-ZYHUDNBSSA-N 1 1 309.370 -1.019 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444781 779939522 /nfs/dbraw/zinc/93/95/22/779939522.db2.gz IGHMTQNUJBUPPG-GRYCIOLGSA-N 1 1 314.386 -1.233 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208475288 779940488 /nfs/dbraw/zinc/94/04/88/779940488.db2.gz RMOWHGIZJWVKJL-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208475288 779940492 /nfs/dbraw/zinc/94/04/92/779940492.db2.gz RMOWHGIZJWVKJL-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208474615 779940612 /nfs/dbraw/zinc/94/06/12/779940612.db2.gz IYUMMRYNNRWSPJ-GHMZBOCLSA-N 1 1 306.370 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455662 779940726 /nfs/dbraw/zinc/94/07/26/779940726.db2.gz ZFEIOIUILWCFRF-KXUCPTDWSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455662 779940728 /nfs/dbraw/zinc/94/07/28/779940728.db2.gz ZFEIOIUILWCFRF-KXUCPTDWSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208458292 779941154 /nfs/dbraw/zinc/94/11/54/779941154.db2.gz BWELSDGLXMOVLY-OUAUKWLOSA-N 1 1 307.416 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001208575845 779942460 /nfs/dbraw/zinc/94/24/60/779942460.db2.gz XJSWNJQUFBUHES-LALPHHSUSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208604975 779943056 /nfs/dbraw/zinc/94/30/56/779943056.db2.gz NGQFRWHNANSMDP-LURQLKTLSA-N 1 1 311.342 -2.261 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208604975 779943062 /nfs/dbraw/zinc/94/30/62/779943062.db2.gz NGQFRWHNANSMDP-LURQLKTLSA-N 1 1 311.342 -2.261 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001208897021 779944121 /nfs/dbraw/zinc/94/41/21/779944121.db2.gz HZZKPDPHUDZVCK-OPRDCNLKSA-N 1 1 320.415 -1.893 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001208897021 779944124 /nfs/dbraw/zinc/94/41/24/779944124.db2.gz HZZKPDPHUDZVCK-OPRDCNLKSA-N 1 1 320.415 -1.893 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001208913625 779944247 /nfs/dbraw/zinc/94/42/47/779944247.db2.gz PAKYGSOAADJIIB-IWSPIJDZSA-N 1 1 306.388 -2.154 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001208913625 779944250 /nfs/dbraw/zinc/94/42/50/779944250.db2.gz PAKYGSOAADJIIB-IWSPIJDZSA-N 1 1 306.388 -2.154 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](CO)[C@H](O)C2)O1 ZINC001209270359 779947386 /nfs/dbraw/zinc/94/73/86/779947386.db2.gz HYMFDDQNUBUXCD-CKIKVBCHSA-N 1 1 305.371 -1.465 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C)C(N)=O ZINC001209199044 779947997 /nfs/dbraw/zinc/94/79/97/779947997.db2.gz YUEZCLZHJDXTLS-DVVUODLYSA-N 1 1 300.359 -2.205 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001276634206 779950449 /nfs/dbraw/zinc/95/04/49/779950449.db2.gz PXXLGZLJGWVTPO-QWRGUYRKSA-N 1 1 306.370 -1.064 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001209318832 779950862 /nfs/dbraw/zinc/95/08/62/779950862.db2.gz SULPEHIKMMODOG-MWLCHTKSSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCc1cn[nH]c1 ZINC001209318832 779950866 /nfs/dbraw/zinc/95/08/66/779950866.db2.gz SULPEHIKMMODOG-MWLCHTKSSA-N 1 1 322.369 -1.026 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001209455885 779953265 /nfs/dbraw/zinc/95/32/65/779953265.db2.gz DEIKQHKCOWUNCS-GMTAPVOTSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001209455885 779953270 /nfs/dbraw/zinc/95/32/70/779953270.db2.gz DEIKQHKCOWUNCS-GMTAPVOTSA-N 1 1 308.382 -1.162 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209514722 779953275 /nfs/dbraw/zinc/95/32/75/779953275.db2.gz OIFPULKFRDYXJE-ADEWGFFLSA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209869062 779955758 /nfs/dbraw/zinc/95/57/58/779955758.db2.gz JLDSUXHAIFWTBV-IJLUTSLNSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209869062 779955769 /nfs/dbraw/zinc/95/57/69/779955769.db2.gz JLDSUXHAIFWTBV-IJLUTSLNSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001209823545 779955970 /nfs/dbraw/zinc/95/59/70/779955970.db2.gz NYMLFFSVJIDSHW-DGCLKSJQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723776 779956642 /nfs/dbraw/zinc/95/66/42/779956642.db2.gz WQBKECCDAWMAQJ-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723776 779956648 /nfs/dbraw/zinc/95/66/48/779956648.db2.gz WQBKECCDAWMAQJ-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209928268 779957726 /nfs/dbraw/zinc/95/77/26/779957726.db2.gz CNPMWEFVFOSPSB-GHMZBOCLSA-N 1 1 324.385 -1.486 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209928268 779957731 /nfs/dbraw/zinc/95/77/31/779957731.db2.gz CNPMWEFVFOSPSB-GHMZBOCLSA-N 1 1 324.385 -1.486 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001210009504 779957888 /nfs/dbraw/zinc/95/78/88/779957888.db2.gz HCLHORVPZVDTJP-JTQLQIEISA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001209886347 779958336 /nfs/dbraw/zinc/95/83/36/779958336.db2.gz UQCVDPXQOUOKJX-GHMZBOCLSA-N 1 1 307.354 -1.445 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001209886347 779958340 /nfs/dbraw/zinc/95/83/40/779958340.db2.gz UQCVDPXQOUOKJX-GHMZBOCLSA-N 1 1 307.354 -1.445 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001210584460 779963882 /nfs/dbraw/zinc/96/38/82/779963882.db2.gz IQSSATSRXCWHGM-JTQLQIEISA-N 1 1 315.399 -1.028 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001210584461 779963988 /nfs/dbraw/zinc/96/39/88/779963988.db2.gz IQSSATSRXCWHGM-SNVBAGLBSA-N 1 1 315.399 -1.028 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001210884595 779965381 /nfs/dbraw/zinc/96/53/81/779965381.db2.gz XGOOXTXXPMIALR-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001210884595 779965388 /nfs/dbraw/zinc/96/53/88/779965388.db2.gz XGOOXTXXPMIALR-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001211033623 779967136 /nfs/dbraw/zinc/96/71/36/779967136.db2.gz WNVZJTHSNNQCBI-UHFFFAOYSA-N 1 1 308.404 -1.361 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001211001100 779967302 /nfs/dbraw/zinc/96/73/02/779967302.db2.gz KQAOXMYDXDVYCL-ZJUUUORDSA-N 1 1 324.389 -1.090 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211088885 779968171 /nfs/dbraw/zinc/96/81/71/779968171.db2.gz NUSVSSPXBMFYGP-BBBLOLIVSA-N 1 1 320.415 -1.764 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211088885 779968174 /nfs/dbraw/zinc/96/81/74/779968174.db2.gz NUSVSSPXBMFYGP-BBBLOLIVSA-N 1 1 320.415 -1.764 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211083917 779968217 /nfs/dbraw/zinc/96/82/17/779968217.db2.gz NNGWABFWRICYHO-OPRDCNLKSA-N 1 1 320.415 -1.893 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211083917 779968220 /nfs/dbraw/zinc/96/82/20/779968220.db2.gz NNGWABFWRICYHO-OPRDCNLKSA-N 1 1 320.415 -1.893 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001211081556 779968224 /nfs/dbraw/zinc/96/82/24/779968224.db2.gz LTIVDUIUGUFAJT-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001211126701 779968269 /nfs/dbraw/zinc/96/82/69/779968269.db2.gz UPPXDTPJNPHZSJ-SECBINFHSA-N 1 1 317.371 -1.301 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001213253949 779971294 /nfs/dbraw/zinc/97/12/94/779971294.db2.gz HEZHSIXUIJRLGK-QJPTWQEYSA-N 1 1 315.370 -2.053 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@H](OC)C1 ZINC001213226381 779971755 /nfs/dbraw/zinc/97/17/55/779971755.db2.gz MCFUGYBAGXCGPX-IQJOONFLSA-N 1 1 316.383 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@H](OC)C1 ZINC001213226381 779971760 /nfs/dbraw/zinc/97/17/60/779971760.db2.gz MCFUGYBAGXCGPX-IQJOONFLSA-N 1 1 316.383 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213223879 779971868 /nfs/dbraw/zinc/97/18/68/779971868.db2.gz DCNWXIIHIZORIK-IVZWLZJFSA-N 1 1 324.403 -2.764 20 0 DAADMO COC[C@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)CCOC1 ZINC001213226250 779972066 /nfs/dbraw/zinc/97/20/66/779972066.db2.gz HTXZQMGGDQDNNC-YRGRVCCFSA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@H](OC)C1 ZINC001213129686 779972178 /nfs/dbraw/zinc/97/21/78/779972178.db2.gz ZGJFCKMPCFKJPP-DMDPSCGWSA-N 1 1 312.370 -1.144 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344453 779973041 /nfs/dbraw/zinc/97/30/41/779973041.db2.gz RNOMLTAFUSJVRV-GMTAPVOTSA-N 1 1 300.359 -1.480 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001213297743 779973669 /nfs/dbraw/zinc/97/36/69/779973669.db2.gz QYWUNIBGANYXLJ-ITGHMWBKSA-N 1 1 314.382 -1.297 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344357 779973805 /nfs/dbraw/zinc/97/38/05/779973805.db2.gz NJPNXUWPXGTJHZ-QJPTWQEYSA-N 1 1 314.386 -1.090 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 ZINC001213265268 779973877 /nfs/dbraw/zinc/97/38/77/779973877.db2.gz YUVPODSWDLWLDX-REWJHTLYSA-N 1 1 315.414 -1.097 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001213260439 779973906 /nfs/dbraw/zinc/97/39/06/779973906.db2.gz IOCYSLLYWJNCJA-IJLUTSLNSA-N 1 1 317.386 -1.678 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367186 779975215 /nfs/dbraw/zinc/97/52/15/779975215.db2.gz LSFGMYIUWWXQNF-GHMZBOCLSA-N 1 1 322.369 -1.641 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213367186 779975220 /nfs/dbraw/zinc/97/52/20/779975220.db2.gz LSFGMYIUWWXQNF-GHMZBOCLSA-N 1 1 322.369 -1.641 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001213355244 779975398 /nfs/dbraw/zinc/97/53/98/779975398.db2.gz OYZUSHLTBVKMAA-HBNTYKKESA-N 1 1 323.415 -1.749 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001213491611 779976983 /nfs/dbraw/zinc/97/69/83/779976983.db2.gz SBPXIOKZTIGJPP-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001213414587 779977074 /nfs/dbraw/zinc/97/70/74/779977074.db2.gz SEMZKXDYSZKLOE-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001213414587 779977084 /nfs/dbraw/zinc/97/70/84/779977084.db2.gz SEMZKXDYSZKLOE-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](OC)C1 ZINC001213491116 779977584 /nfs/dbraw/zinc/97/75/84/779977584.db2.gz JWFASXQZYIQVHD-GMTAPVOTSA-N 1 1 323.415 -1.614 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O ZINC001213543128 779978452 /nfs/dbraw/zinc/97/84/52/779978452.db2.gz LBZKOVXOMVSFEP-NXEZZACHSA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O ZINC001213543128 779978456 /nfs/dbraw/zinc/97/84/56/779978456.db2.gz LBZKOVXOMVSFEP-NXEZZACHSA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001213502441 779978923 /nfs/dbraw/zinc/97/89/23/779978923.db2.gz GUUXKHGKHQWWSS-GHMZBOCLSA-N 1 1 322.431 -1.394 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](OC)C1 ZINC001213585772 779980501 /nfs/dbraw/zinc/98/05/01/779980501.db2.gz RPQBEKISCALTSO-GHMZBOCLSA-N 1 1 310.354 -1.238 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCN1CCOCC1 ZINC001213581200 779981567 /nfs/dbraw/zinc/98/15/67/779981567.db2.gz QAQVWXPVYNLEGC-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001213726292 779982342 /nfs/dbraw/zinc/98/23/42/779982342.db2.gz UGGQKVGORSCGDD-MXWKQRLJSA-N 1 1 316.402 -1.123 20 0 DAADMO CO[C@@H]1CN(CCCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719220 779982887 /nfs/dbraw/zinc/98/28/87/779982887.db2.gz SEVAYFIGQZGXRS-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CO[C@@H]1CN(C[C@@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730852 779983295 /nfs/dbraw/zinc/98/32/95/779983295.db2.gz ZMOOZPWIJYDBSZ-JHJVBQTASA-N 1 1 303.403 -1.239 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001213647139 779983447 /nfs/dbraw/zinc/98/34/47/779983447.db2.gz ZXOCJVIMUULJHK-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@H](OC)C1 ZINC001213857686 779984762 /nfs/dbraw/zinc/98/47/62/779984762.db2.gz SJWWQFYMCGHBSJ-CYZMBNFOSA-N 1 1 312.370 -1.144 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213829265 779985041 /nfs/dbraw/zinc/98/50/41/779985041.db2.gz QPOARPFXYBOZAU-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@H](OC)C1 ZINC001213821444 779985358 /nfs/dbraw/zinc/98/53/58/779985358.db2.gz UWKAWFLYNWEQSB-IJLUTSLNSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213831522 779985575 /nfs/dbraw/zinc/98/55/75/779985575.db2.gz WZIISLLFCZHIBK-HBNTYKKESA-N 1 1 318.374 -2.133 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001213977424 779986553 /nfs/dbraw/zinc/98/65/53/779986553.db2.gz CIFQHGHIXHWPOI-YNEHKIRRSA-N 1 1 312.370 -1.294 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001213911791 779986956 /nfs/dbraw/zinc/98/69/56/779986956.db2.gz FBBRBAQSPBFKCW-VXGBXAGGSA-N 1 1 324.385 -1.382 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1nonc1C ZINC001213982290 779988088 /nfs/dbraw/zinc/98/80/88/779988088.db2.gz ZHKOYVZVHHJPFE-GHMZBOCLSA-N 1 1 314.342 -1.184 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1nonc1C ZINC001213982290 779988095 /nfs/dbraw/zinc/98/80/95/779988095.db2.gz ZHKOYVZVHHJPFE-GHMZBOCLSA-N 1 1 314.342 -1.184 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1cn(C)nn1 ZINC001213995054 779988609 /nfs/dbraw/zinc/98/86/09/779988609.db2.gz NUQHZTKBKFWIPA-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1cn(C)nn1 ZINC001213997129 779988860 /nfs/dbraw/zinc/98/88/60/779988860.db2.gz DUFGMLDRNBNXMG-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](CC(C)C)C(N)=O ZINC001214001674 779989133 /nfs/dbraw/zinc/98/91/33/779989133.db2.gz CGITYHBXNGJACW-IJLUTSLNSA-N 1 1 301.387 -1.058 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n1 ZINC001214120630 779989775 /nfs/dbraw/zinc/98/97/75/779989775.db2.gz MWTHCQHBUNUFOT-MWLCHTKSSA-N 1 1 309.374 -1.097 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001214201365 779991846 /nfs/dbraw/zinc/99/18/46/779991846.db2.gz SEQSXLPKSBAXFN-MWLCHTKSSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214181661 779992021 /nfs/dbraw/zinc/99/20/21/779992021.db2.gz ZPDQIZUPUMAMAX-MWLCHTKSSA-N 1 1 309.374 -1.375 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001214784802 780001533 /nfs/dbraw/zinc/00/15/33/780001533.db2.gz WMKBJCDXWDNSAA-NXEZZACHSA-N 1 1 309.374 -1.319 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001276736965 780012307 /nfs/dbraw/zinc/01/23/07/780012307.db2.gz GGBWLOGUERMWEY-FIQHERPVSA-N 1 1 309.366 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216310727 780012626 /nfs/dbraw/zinc/01/26/26/780012626.db2.gz YNGNYTANHQTTHK-NXEZZACHSA-N 1 1 315.399 -1.172 20 0 DAADMO Cn1c2[nH]c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000405230109 780018133 /nfs/dbraw/zinc/01/81/33/780018133.db2.gz QJNPDFPJMWGUTI-DTWKUNHWSA-N 1 1 320.353 -1.785 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001217212420 780018721 /nfs/dbraw/zinc/01/87/21/780018721.db2.gz OQZUURKVOUMZSH-RWMBFGLXSA-N 1 1 324.381 -1.687 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270380 780020182 /nfs/dbraw/zinc/02/01/82/780020182.db2.gz MOIBAEDZNMNGBT-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1)OC ZINC001217275151 780020276 /nfs/dbraw/zinc/02/02/76/780020276.db2.gz AAQXZDIYKYQVAQ-GRYCIOLGSA-N 1 1 314.386 -1.009 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cccn3)[C@H]2C1 ZINC001217286105 780020367 /nfs/dbraw/zinc/02/03/67/780020367.db2.gz NQCFQCWQRBPLPW-HZSPNIEDSA-N 1 1 324.381 -1.198 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217286208 780020582 /nfs/dbraw/zinc/02/05/82/780020582.db2.gz POKTXBWGDOFFAQ-UONOGXRCSA-N 1 1 324.381 -1.196 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217286208 780020589 /nfs/dbraw/zinc/02/05/89/780020589.db2.gz POKTXBWGDOFFAQ-UONOGXRCSA-N 1 1 324.381 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217276466 780020862 /nfs/dbraw/zinc/02/08/62/780020862.db2.gz VKGIZSQBDASXHM-OUAUKWLOSA-N 1 1 316.358 -2.426 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)cn1 ZINC001217249136 780020899 /nfs/dbraw/zinc/02/08/99/780020899.db2.gz RHTPIEIBYIPKLN-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)cn1 ZINC001217249136 780020908 /nfs/dbraw/zinc/02/09/08/780020908.db2.gz RHTPIEIBYIPKLN-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(C)c3)[C@H]2C1 ZINC001217248236 780021198 /nfs/dbraw/zinc/02/11/98/780021198.db2.gz AYPJFMWIZKEXSH-MELADBBJSA-N 1 1 324.381 -1.047 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217264770 780021246 /nfs/dbraw/zinc/02/12/46/780021246.db2.gz FDOFNHHQAZDSNO-WDEREUQCSA-N 1 1 316.358 -2.425 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217264770 780021255 /nfs/dbraw/zinc/02/12/55/780021255.db2.gz FDOFNHHQAZDSNO-WDEREUQCSA-N 1 1 316.358 -2.425 20 0 DAADMO COC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001217399940 780022249 /nfs/dbraw/zinc/02/22/49/780022249.db2.gz LFLBITZLJFQSRK-WDEREUQCSA-N 1 1 301.343 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]c3)[C@H]2C1 ZINC001217350096 780022846 /nfs/dbraw/zinc/02/28/46/780022846.db2.gz RXBIHBMSWHOTLE-RWMBFGLXSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OC)[C@H]2C1 ZINC001217408905 780023155 /nfs/dbraw/zinc/02/31/55/780023155.db2.gz QGUOYXCTESGPCO-QNWHQSFQSA-N 1 1 302.371 -1.060 20 0 DAADMO COC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001217394061 780023277 /nfs/dbraw/zinc/02/32/77/780023277.db2.gz QXEZGHVNKIGEFG-GARJFASQSA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C)[C@H]2C1 ZINC001217434642 780023352 /nfs/dbraw/zinc/02/33/52/780023352.db2.gz GDKYLBPPMPJUGW-KWCYVHTRSA-N 1 1 324.381 -1.047 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]21 ZINC001217720403 780025014 /nfs/dbraw/zinc/02/50/14/780025014.db2.gz OBGKCDKMEHFZCQ-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217713256 780025095 /nfs/dbraw/zinc/02/50/95/780025095.db2.gz NFRFXIKJRWQWFM-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217713256 780025098 /nfs/dbraw/zinc/02/50/98/780025098.db2.gz NFRFXIKJRWQWFM-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](O)C(C)C)[C@H]2C1 ZINC001217770157 780026285 /nfs/dbraw/zinc/02/62/85/780026285.db2.gz CIFKYKVXOGAGDM-IGQOVBAYSA-N 1 1 316.398 -1.078 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CNS(=O)(=O)CC)[C@H]2C1 ZINC001218049292 780027609 /nfs/dbraw/zinc/02/76/09/780027609.db2.gz RZRJMMMBONVSNY-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217966448 780027839 /nfs/dbraw/zinc/02/78/39/780027839.db2.gz QHDSVATWFDUNMQ-QWHCGFSZSA-N 1 1 323.349 -1.087 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001217966448 780027845 /nfs/dbraw/zinc/02/78/45/780027845.db2.gz QHDSVATWFDUNMQ-QWHCGFSZSA-N 1 1 323.349 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCCOC)C[C@@H]21 ZINC001218075721 780028376 /nfs/dbraw/zinc/02/83/76/780028376.db2.gz RFTGNCRIQCZGHM-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219802 780029045 /nfs/dbraw/zinc/02/90/45/780029045.db2.gz JXPHLFYILIJJTJ-LPEHRKFASA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219802 780029055 /nfs/dbraw/zinc/02/90/55/780029055.db2.gz JXPHLFYILIJJTJ-LPEHRKFASA-N 1 1 321.324 -1.340 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001218075474 780029139 /nfs/dbraw/zinc/02/91/39/780029139.db2.gz FQCLBEVFULFSGA-OUAUKWLOSA-N 1 1 300.359 -1.792 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]21 ZINC001218075705 780029405 /nfs/dbraw/zinc/02/94/05/780029405.db2.gz QOAMDBNSPVZHSF-SDDRHHMPSA-N 1 1 314.386 -1.138 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](C(C)C)C[C@@H]21 ZINC001218376948 780031291 /nfs/dbraw/zinc/03/12/91/780031291.db2.gz IUQODCGZAATXSX-WDEREUQCSA-N 1 1 320.415 -1.640 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515978 780031739 /nfs/dbraw/zinc/03/17/39/780031739.db2.gz PNNWUUXGBSTPTI-QMMMGPOBSA-N 1 1 305.346 -1.563 20 0 DAADMO CCOC(=O)c1c[nH]c(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)n1 ZINC001218527280 780032375 /nfs/dbraw/zinc/03/23/75/780032375.db2.gz HIQSBKMXUBSLQU-SECBINFHSA-N 1 1 309.326 -1.145 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnn2cccc12 ZINC001218563859 780032550 /nfs/dbraw/zinc/03/25/50/780032550.db2.gz DYGDGNTXHVXCPZ-LLVKDONJSA-N 1 1 303.370 -1.160 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001218648227 780036550 /nfs/dbraw/zinc/03/65/50/780036550.db2.gz TVADDNKXQVNKNI-UHFFFAOYSA-N 1 1 323.762 -1.006 20 0 DAADMO COC(=O)Cn1cc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)cn1 ZINC001218612355 780037123 /nfs/dbraw/zinc/03/71/23/780037123.db2.gz SKRNICGOPCVGLG-GFCCVEGCSA-N 1 1 324.385 -1.255 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218609294 780037932 /nfs/dbraw/zinc/03/79/32/780037932.db2.gz OENREEHCYQVLPL-YNEHKIRRSA-N 1 1 302.371 -1.058 20 0 DAADMO CCOc1cc(N)n(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)c(=N)n1 ZINC001218680651 780039156 /nfs/dbraw/zinc/03/91/56/780039156.db2.gz FDTCQKZGQZGMCP-JTQLQIEISA-N 1 1 323.401 -1.266 20 0 DAADMO COCCO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218716293 780039431 /nfs/dbraw/zinc/03/94/31/780039431.db2.gz YBAQIQRJMFYQRL-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO COCCO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218716293 780039437 /nfs/dbraw/zinc/03/94/37/780039437.db2.gz YBAQIQRJMFYQRL-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO O=C(COC[C@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218715942 780039502 /nfs/dbraw/zinc/03/95/02/780039502.db2.gz QBGMCDLXSZPFCQ-MELADBBJSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C(COC[C@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218715942 780039507 /nfs/dbraw/zinc/03/95/07/780039507.db2.gz QBGMCDLXSZPFCQ-MELADBBJSA-N 1 1 314.382 -1.057 20 0 DAADMO NCC(=O)NCC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218694946 780039527 /nfs/dbraw/zinc/03/95/27/780039527.db2.gz GTZYJXSSKIDPMK-UHFFFAOYSA-N 1 1 306.370 -1.176 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218712866 780039970 /nfs/dbraw/zinc/03/99/70/780039970.db2.gz KJCIZDDTPADLFO-XHNCKOQMSA-N 1 1 311.342 -1.138 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]2C1 ZINC001218737957 780040884 /nfs/dbraw/zinc/04/08/84/780040884.db2.gz VWQYTASDHPVMAT-SDDRHHMPSA-N 1 1 312.370 -1.702 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nc[nH]n3)[C@H]2C1 ZINC001218796690 780041803 /nfs/dbraw/zinc/04/18/03/780041803.db2.gz CLRWYTOQLZUELQ-GARJFASQSA-N 1 1 311.342 -1.663 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3nc[nH]n3)[C@H]2C1 ZINC001218796690 780041809 /nfs/dbraw/zinc/04/18/09/780041809.db2.gz CLRWYTOQLZUELQ-GARJFASQSA-N 1 1 311.342 -1.663 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001218752644 780041831 /nfs/dbraw/zinc/04/18/31/780041831.db2.gz LROARWCTCHYPPK-SDDRHHMPSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001218752644 780041839 /nfs/dbraw/zinc/04/18/39/780041839.db2.gz LROARWCTCHYPPK-SDDRHHMPSA-N 1 1 324.381 -1.735 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218872885 780043307 /nfs/dbraw/zinc/04/33/07/780043307.db2.gz VSYKKDWCEYKZCY-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218872885 780043313 /nfs/dbraw/zinc/04/33/13/780043313.db2.gz VSYKKDWCEYKZCY-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)NCC1CC1 ZINC001218942717 780043703 /nfs/dbraw/zinc/04/37/03/780043703.db2.gz UREBYCOUEYAMJK-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001219068788 780045019 /nfs/dbraw/zinc/04/50/19/780045019.db2.gz IZBMNZWXEFBCMB-UONOGXRCSA-N 1 1 324.381 -1.196 20 0 DAADMO O=C(Cn1ccnc1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001219068788 780045027 /nfs/dbraw/zinc/04/50/27/780045027.db2.gz IZBMNZWXEFBCMB-UONOGXRCSA-N 1 1 324.381 -1.196 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001219039190 780045182 /nfs/dbraw/zinc/04/51/82/780045182.db2.gz AGMIZDJLKYTDHO-WDEREUQCSA-N 1 1 323.390 -1.193 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001219039190 780045194 /nfs/dbraw/zinc/04/51/94/780045194.db2.gz AGMIZDJLKYTDHO-WDEREUQCSA-N 1 1 323.390 -1.193 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219025012 780045396 /nfs/dbraw/zinc/04/53/96/780045396.db2.gz QWEHPAXIKKSPGA-GARJFASQSA-N 1 1 300.359 -1.663 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001219039439 780045549 /nfs/dbraw/zinc/04/55/49/780045549.db2.gz IQILQXGZENADNM-NWDGAFQWSA-N 1 1 317.411 -1.143 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219024961 780045733 /nfs/dbraw/zinc/04/57/33/780045733.db2.gz NUPQZCSKUYFTMK-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2CN(CC(=O)NC)C[C@@H]21 ZINC001219003172 780046195 /nfs/dbraw/zinc/04/61/95/780046195.db2.gz XNYRZSHWLVUTAK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO [NH3+]CCC[NH2+]CC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218961739 780046212 /nfs/dbraw/zinc/04/62/12/780046212.db2.gz ATSRHNTZVGJNHG-UHFFFAOYSA-N 1 1 312.351 -1.004 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219083961 780046748 /nfs/dbraw/zinc/04/67/48/780046748.db2.gz QMQPWUNCAQFHQV-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079254 780047849 /nfs/dbraw/zinc/04/78/49/780047849.db2.gz TZMNJNKBTIWBLS-AEJSXWLSSA-N 1 1 312.313 -1.563 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079254 780047856 /nfs/dbraw/zinc/04/78/56/780047856.db2.gz TZMNJNKBTIWBLS-AEJSXWLSSA-N 1 1 312.313 -1.563 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001219087237 780048897 /nfs/dbraw/zinc/04/88/97/780048897.db2.gz CAPKRFYSQXXEFH-UPJWGTAASA-N 1 1 302.371 -1.418 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093166 780049498 /nfs/dbraw/zinc/04/94/98/780049498.db2.gz JSBWOSQRHBFEMY-TUAOUCFPSA-N 1 1 306.359 -2.182 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001219097349 780050427 /nfs/dbraw/zinc/05/04/27/780050427.db2.gz PCXFETHMZXQTQP-MNOVXSKESA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC001219097349 780050432 /nfs/dbraw/zinc/05/04/32/780050432.db2.gz PCXFETHMZXQTQP-MNOVXSKESA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219104937 780050584 /nfs/dbraw/zinc/05/05/84/780050584.db2.gz KGCFZLFCJYOKOQ-OLZOCXBDSA-N 1 1 324.385 -1.808 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@@H]1O ZINC001219104937 780050588 /nfs/dbraw/zinc/05/05/88/780050588.db2.gz KGCFZLFCJYOKOQ-OLZOCXBDSA-N 1 1 324.385 -1.808 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219095200 780050997 /nfs/dbraw/zinc/05/09/97/780050997.db2.gz KIARVNKRNMYPBU-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219095200 780051001 /nfs/dbraw/zinc/05/10/01/780051001.db2.gz KIARVNKRNMYPBU-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001219106999 780052411 /nfs/dbraw/zinc/05/24/11/780052411.db2.gz MUUBJQLEBKDNOD-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 ZINC001219122962 780054421 /nfs/dbraw/zinc/05/44/21/780054421.db2.gz LAKPEFLNLQEWNS-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](O)C1 ZINC001219122962 780054424 /nfs/dbraw/zinc/05/44/24/780054424.db2.gz LAKPEFLNLQEWNS-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001219135995 780054875 /nfs/dbraw/zinc/05/48/75/780054875.db2.gz OAHWOBIKZMYUEB-MNOVXSKESA-N 1 1 312.326 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001219135995 780054879 /nfs/dbraw/zinc/05/48/79/780054879.db2.gz OAHWOBIKZMYUEB-MNOVXSKESA-N 1 1 312.326 -2.034 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219141529 780055938 /nfs/dbraw/zinc/05/59/38/780055938.db2.gz ZJEZEKNUGSCAGQ-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219141529 780055943 /nfs/dbraw/zinc/05/59/43/780055943.db2.gz ZJEZEKNUGSCAGQ-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219145060 780056123 /nfs/dbraw/zinc/05/61/23/780056123.db2.gz DZBJANCSSJAJEE-TUAOUCFPSA-N 1 1 309.370 -1.037 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219141536 780056839 /nfs/dbraw/zinc/05/68/39/780056839.db2.gz ZOSVKCZWURNMOZ-XQQFMLRXSA-N 1 1 312.370 -1.558 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219158488 780057598 /nfs/dbraw/zinc/05/75/98/780057598.db2.gz DDAUELUOTAHQIH-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219158488 780057606 /nfs/dbraw/zinc/05/76/06/780057606.db2.gz DDAUELUOTAHQIH-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219156666 780057625 /nfs/dbraw/zinc/05/76/25/780057625.db2.gz GEKBTLQLJUTNTQ-TUAOUCFPSA-N 1 1 322.427 -1.465 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219156666 780057635 /nfs/dbraw/zinc/05/76/35/780057635.db2.gz GEKBTLQLJUTNTQ-TUAOUCFPSA-N 1 1 322.427 -1.465 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219156699 780058319 /nfs/dbraw/zinc/05/83/19/780058319.db2.gz HBUSEUGGQDLKOI-ZJUUUORDSA-N 1 1 302.400 -1.464 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219156699 780058328 /nfs/dbraw/zinc/05/83/28/780058328.db2.gz HBUSEUGGQDLKOI-ZJUUUORDSA-N 1 1 302.400 -1.464 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219151735 780058367 /nfs/dbraw/zinc/05/83/67/780058367.db2.gz QOSMNALIOFZBJF-JLLWLGSASA-N 1 1 303.359 -2.319 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219151735 780058377 /nfs/dbraw/zinc/05/83/77/780058377.db2.gz QOSMNALIOFZBJF-JLLWLGSASA-N 1 1 303.359 -2.319 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219156667 780058532 /nfs/dbraw/zinc/05/85/32/780058532.db2.gz GEKBTLQLJUTNTQ-UTUOFQBUSA-N 1 1 322.427 -1.465 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001219156667 780058534 /nfs/dbraw/zinc/05/85/34/780058534.db2.gz GEKBTLQLJUTNTQ-UTUOFQBUSA-N 1 1 322.427 -1.465 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165136 780059870 /nfs/dbraw/zinc/05/98/70/780059870.db2.gz HHLLMCHDCSAAQZ-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219168357 780061082 /nfs/dbraw/zinc/06/10/82/780061082.db2.gz AKJPFGVVNZQXEB-AEJSXWLSSA-N 1 1 323.357 -2.405 20 0 DAADMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C1CCC1 ZINC001219168588 780061172 /nfs/dbraw/zinc/06/11/72/780061172.db2.gz HKOSXLDFFCMHOL-WOPDTQHZSA-N 1 1 314.386 -1.369 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001219168576 780061659 /nfs/dbraw/zinc/06/16/59/780061659.db2.gz GVJSYQXKYWWSSO-NEPJUHHUSA-N 1 1 324.385 -1.725 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168612 780061966 /nfs/dbraw/zinc/06/19/66/780061966.db2.gz IRPATXPIABETDB-MNOVXSKESA-N 1 1 310.358 -2.208 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168843 780063073 /nfs/dbraw/zinc/06/30/73/780063073.db2.gz OKLRHWWYJCJNMJ-ZJUUUORDSA-N 1 1 304.347 -2.521 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168843 780063065 /nfs/dbraw/zinc/06/30/65/780063065.db2.gz OKLRHWWYJCJNMJ-ZJUUUORDSA-N 1 1 304.347 -2.521 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cnn1C ZINC001219180816 780064754 /nfs/dbraw/zinc/06/47/54/780064754.db2.gz QEVSZHVCKDXBQJ-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cnn1C ZINC001219180816 780064759 /nfs/dbraw/zinc/06/47/59/780064759.db2.gz QEVSZHVCKDXBQJ-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1COCCO1 ZINC001219212454 780067414 /nfs/dbraw/zinc/06/74/14/780067414.db2.gz SUERALGNORQZCR-HZSPNIEDSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1COCCO1 ZINC001219212454 780067421 /nfs/dbraw/zinc/06/74/21/780067421.db2.gz SUERALGNORQZCR-HZSPNIEDSA-N 1 1 314.382 -1.010 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219223389 780069585 /nfs/dbraw/zinc/06/95/85/780069585.db2.gz IBTUPBIIWFPFMA-UHTWSYAYSA-N 1 1 301.387 -1.213 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219256067 780071320 /nfs/dbraw/zinc/07/13/20/780071320.db2.gz AWWGLCZOSNMBJV-OLZOCXBDSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cnsn1 ZINC001219247853 780071499 /nfs/dbraw/zinc/07/14/99/780071499.db2.gz CHMWOGCZRRSTGR-ZJUUUORDSA-N 1 1 302.356 -1.678 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cnsn1 ZINC001219247853 780071507 /nfs/dbraw/zinc/07/15/07/780071507.db2.gz CHMWOGCZRRSTGR-ZJUUUORDSA-N 1 1 302.356 -1.678 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC2CC2)[C@@H](O)C1 ZINC001219253331 780071917 /nfs/dbraw/zinc/07/19/17/780071917.db2.gz OVDVSUCWRMCQBK-XQQFMLRXSA-N 1 1 302.371 -1.418 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257619 780073216 /nfs/dbraw/zinc/07/32/16/780073216.db2.gz LNIKCTQALNHJJU-TUAOUCFPSA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2C)[C@@H](O)C1 ZINC001219269454 780073418 /nfs/dbraw/zinc/07/34/18/780073418.db2.gz IYXHKLABZZQFHM-WZRBSPASSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219272610 780075059 /nfs/dbraw/zinc/07/50/59/780075059.db2.gz PMFKCWQCGMXOJF-XQQFMLRXSA-N 1 1 312.370 -1.640 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)nn1C ZINC001219272194 780075312 /nfs/dbraw/zinc/07/53/12/780075312.db2.gz AORRGVZULRPOOJ-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)nn1C ZINC001219272194 780075318 /nfs/dbraw/zinc/07/53/18/780075318.db2.gz AORRGVZULRPOOJ-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219274641 780075350 /nfs/dbraw/zinc/07/53/50/780075350.db2.gz BMRZNMVKPXPNEV-ZJUUUORDSA-N 1 1 312.330 -2.205 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219274641 780075352 /nfs/dbraw/zinc/07/53/52/780075352.db2.gz BMRZNMVKPXPNEV-ZJUUUORDSA-N 1 1 312.330 -2.205 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C)cn2)[C@@H](O)C1 ZINC001219272609 780075828 /nfs/dbraw/zinc/07/58/28/780075828.db2.gz PMFKCWQCGMXOJF-UPJWGTAASA-N 1 1 312.370 -1.640 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219275168 780077525 /nfs/dbraw/zinc/07/75/25/780077525.db2.gz YJVZMNPVDLSMQN-AXFHLTTASA-N 1 1 301.343 -1.460 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219312962 780080253 /nfs/dbraw/zinc/08/02/53/780080253.db2.gz SZJQIMPXHDKPGP-NEPJUHHUSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219312962 780080259 /nfs/dbraw/zinc/08/02/59/780080259.db2.gz SZJQIMPXHDKPGP-NEPJUHHUSA-N 1 1 314.386 -1.402 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001219315256 780080508 /nfs/dbraw/zinc/08/05/08/780080508.db2.gz YCLISADTIHGQGO-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001219315256 780080514 /nfs/dbraw/zinc/08/05/14/780080514.db2.gz YCLISADTIHGQGO-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO CCOCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219350628 780081372 /nfs/dbraw/zinc/08/13/72/780081372.db2.gz CNMHDSWUPAHNTK-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CCOCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219350628 780081379 /nfs/dbraw/zinc/08/13/79/780081379.db2.gz CNMHDSWUPAHNTK-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219337124 780082192 /nfs/dbraw/zinc/08/21/92/780082192.db2.gz PRSUBZRYYOBBBM-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219358141 780083156 /nfs/dbraw/zinc/08/31/56/780083156.db2.gz ZKTQFHOLKUOOSZ-BBBLOLIVSA-N 1 1 321.324 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219358141 780083159 /nfs/dbraw/zinc/08/31/59/780083159.db2.gz ZKTQFHOLKUOOSZ-BBBLOLIVSA-N 1 1 321.324 -1.292 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357812 780083172 /nfs/dbraw/zinc/08/31/72/780083172.db2.gz MAGLKKMUGYDKKC-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219360308 780084415 /nfs/dbraw/zinc/08/44/15/780084415.db2.gz ZJYHRVYJAOFSKW-UTUOFQBUSA-N 1 1 314.386 -1.545 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219360308 780084420 /nfs/dbraw/zinc/08/44/20/780084420.db2.gz ZJYHRVYJAOFSKW-UTUOFQBUSA-N 1 1 314.386 -1.545 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219375803 780085710 /nfs/dbraw/zinc/08/57/10/780085710.db2.gz BIUHFLMBQPHUOV-AXFHLTTASA-N 1 1 303.359 -2.319 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219375804 780086242 /nfs/dbraw/zinc/08/62/42/780086242.db2.gz BIUHFLMBQPHUOV-MXWKQRLJSA-N 1 1 303.359 -2.319 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219371507 780086731 /nfs/dbraw/zinc/08/67/31/780086731.db2.gz VHTGFOYBKGVGOF-MCIONIFRSA-N 1 1 324.425 -1.232 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219370900 780086838 /nfs/dbraw/zinc/08/68/38/780086838.db2.gz KDKVCVKFXZFDFH-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219370900 780086850 /nfs/dbraw/zinc/08/68/50/780086850.db2.gz KDKVCVKFXZFDFH-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001219379075 780087951 /nfs/dbraw/zinc/08/79/51/780087951.db2.gz MWYWCKMRBQVWIN-MXWKQRLJSA-N 1 1 309.370 -1.005 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219376689 780088111 /nfs/dbraw/zinc/08/81/11/780088111.db2.gz FAAXKBIAVXSCLX-ZJUUUORDSA-N 1 1 311.342 -2.157 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219376689 780088123 /nfs/dbraw/zinc/08/81/23/780088123.db2.gz FAAXKBIAVXSCLX-ZJUUUORDSA-N 1 1 311.342 -2.157 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219387453 780089131 /nfs/dbraw/zinc/08/91/31/780089131.db2.gz DIOQNXYFOSBABJ-XQQFMLRXSA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](O)C1 ZINC001219394748 780090077 /nfs/dbraw/zinc/09/00/77/780090077.db2.gz SGPIOJYFVDKURG-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404265 780090913 /nfs/dbraw/zinc/09/09/13/780090913.db2.gz KZPGGDUXFFXYEG-MXWKQRLJSA-N 1 1 314.386 -1.720 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404265 780090918 /nfs/dbraw/zinc/09/09/18/780090918.db2.gz KZPGGDUXFFXYEG-MXWKQRLJSA-N 1 1 314.386 -1.720 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219403198 780091793 /nfs/dbraw/zinc/09/17/93/780091793.db2.gz URYSHKLNQLMUSM-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219403198 780091799 /nfs/dbraw/zinc/09/17/99/780091799.db2.gz URYSHKLNQLMUSM-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411686 780092557 /nfs/dbraw/zinc/09/25/57/780092557.db2.gz SYOBMTSPDIVTRH-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001219412866 780093698 /nfs/dbraw/zinc/09/36/98/780093698.db2.gz GVQVQMVENWYXBP-UPJWGTAASA-N 1 1 307.350 -1.243 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219413880 780095749 /nfs/dbraw/zinc/09/57/49/780095749.db2.gz JCJYZJLPEDLCFL-RDBSUJKOSA-N 1 1 315.414 -1.097 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219440937 780096554 /nfs/dbraw/zinc/09/65/54/780096554.db2.gz GOVCRUFXCNHXLH-VWYCJHECSA-N 1 1 322.369 -1.823 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001219451506 780099287 /nfs/dbraw/zinc/09/92/87/780099287.db2.gz COADBCUIIVMYRH-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001219451506 780099291 /nfs/dbraw/zinc/09/92/91/780099291.db2.gz COADBCUIIVMYRH-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001219450328 780099472 /nfs/dbraw/zinc/09/94/72/780099472.db2.gz NZPNJJCJQPYHBY-NEPJUHHUSA-N 1 1 311.338 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCCO1 ZINC001219458847 780100628 /nfs/dbraw/zinc/10/06/28/780100628.db2.gz LHJKAXJMTTZLBH-AGIUHOORSA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCCO1 ZINC001219458847 780100630 /nfs/dbraw/zinc/10/06/30/780100630.db2.gz LHJKAXJMTTZLBH-AGIUHOORSA-N 1 1 302.371 -1.274 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472611 780100663 /nfs/dbraw/zinc/10/06/63/780100663.db2.gz OKLKDKWMLPOEKL-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472767 780100743 /nfs/dbraw/zinc/10/07/43/780100743.db2.gz POZAQKIMTFHFGK-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485602 780102089 /nfs/dbraw/zinc/10/20/89/780102089.db2.gz NEPMFQCQPGMLQR-MNOVXSKESA-N 1 1 313.358 -1.428 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219473187 780102149 /nfs/dbraw/zinc/10/21/49/780102149.db2.gz YGJOLHDUYPQTJC-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219477776 780102232 /nfs/dbraw/zinc/10/22/32/780102232.db2.gz AXNKGRRJFGZIQA-AEJSXWLSSA-N 1 1 315.330 -2.848 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219473288 780102358 /nfs/dbraw/zinc/10/23/58/780102358.db2.gz ZQEUJGOSCMEARV-MCIONIFRSA-N 1 1 315.414 -1.359 20 0 DAADMO CO[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219494091 780104534 /nfs/dbraw/zinc/10/45/34/780104534.db2.gz KQVMMKKBIFAFRE-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219495791 780105268 /nfs/dbraw/zinc/10/52/68/780105268.db2.gz NUTKEIOYFJUYCR-VWYCJHECSA-N 1 1 312.370 -2.048 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219495791 780105271 /nfs/dbraw/zinc/10/52/71/780105271.db2.gz NUTKEIOYFJUYCR-VWYCJHECSA-N 1 1 312.370 -2.048 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001219497503 780105287 /nfs/dbraw/zinc/10/52/87/780105287.db2.gz QYMTXUGMGWXQLZ-UMNHJUIQSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001219497503 780105289 /nfs/dbraw/zinc/10/52/89/780105289.db2.gz QYMTXUGMGWXQLZ-UMNHJUIQSA-N 1 1 311.338 -1.431 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219495803 780105354 /nfs/dbraw/zinc/10/53/54/780105354.db2.gz OGFMSPJCKYIWCE-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219495803 780105355 /nfs/dbraw/zinc/10/53/55/780105355.db2.gz OGFMSPJCKYIWCE-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505920 780105981 /nfs/dbraw/zinc/10/59/81/780105981.db2.gz RCUGOPJLKWQERF-VWYCJHECSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505920 780105986 /nfs/dbraw/zinc/10/59/86/780105986.db2.gz RCUGOPJLKWQERF-VWYCJHECSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219510410 780107492 /nfs/dbraw/zinc/10/74/92/780107492.db2.gz NHWQHBXGUXSRRM-MNOVXSKESA-N 1 1 312.370 -2.190 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219510410 780107498 /nfs/dbraw/zinc/10/74/98/780107498.db2.gz NHWQHBXGUXSRRM-MNOVXSKESA-N 1 1 312.370 -2.190 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219510599 780107781 /nfs/dbraw/zinc/10/77/81/780107781.db2.gz WTFNUMJUASVIKN-AXFHLTTASA-N 1 1 322.369 -1.937 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219518871 780108753 /nfs/dbraw/zinc/10/87/53/780108753.db2.gz APTASJLREPPCJY-AEJSXWLSSA-N 1 1 304.347 -2.787 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219518871 780108758 /nfs/dbraw/zinc/10/87/58/780108758.db2.gz APTASJLREPPCJY-AEJSXWLSSA-N 1 1 304.347 -2.787 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219513673 780108936 /nfs/dbraw/zinc/10/89/36/780108936.db2.gz YNQNQBCPZYDSGS-OLZOCXBDSA-N 1 1 315.370 -2.365 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219513673 780108942 /nfs/dbraw/zinc/10/89/42/780108942.db2.gz YNQNQBCPZYDSGS-OLZOCXBDSA-N 1 1 315.370 -2.365 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](O)C1 ZINC001219513409 780109139 /nfs/dbraw/zinc/10/91/39/780109139.db2.gz RSPYWJFXWVNUPX-UPJWGTAASA-N 1 1 310.354 -1.433 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219517251 780109234 /nfs/dbraw/zinc/10/92/34/780109234.db2.gz RWCVVTDPAHRZNR-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cnn1 ZINC001219512795 780109278 /nfs/dbraw/zinc/10/92/78/780109278.db2.gz DZCGDSANTDSLDZ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cnn1 ZINC001219512795 780109283 /nfs/dbraw/zinc/10/92/83/780109283.db2.gz DZCGDSANTDSLDZ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2O)C1 ZINC001219513475 780109750 /nfs/dbraw/zinc/10/97/50/780109750.db2.gz VCRSGSWYIWIMRP-GDLCADMTSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001219521213 780110392 /nfs/dbraw/zinc/11/03/92/780110392.db2.gz AALIFHDUDGPVHJ-WCQGTBRESA-N 1 1 314.386 -1.226 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001219525157 780110583 /nfs/dbraw/zinc/11/05/83/780110583.db2.gz VSLHZNYEYGXLBM-UPJWGTAASA-N 1 1 312.370 -1.869 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219519707 780111358 /nfs/dbraw/zinc/11/13/58/780111358.db2.gz XLRIFDXRKLCRLH-WCQGTBRESA-N 1 1 324.385 -1.819 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219531120 780112868 /nfs/dbraw/zinc/11/28/68/780112868.db2.gz NTFNVKWINYMVGD-TUAOUCFPSA-N 1 1 312.370 -1.315 20 0 DAADMO CCOC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219556154 780115458 /nfs/dbraw/zinc/11/54/58/780115458.db2.gz HJJJUXDAFYPYRQ-PQAZSJQKSA-N 1 1 316.398 -1.028 20 0 DAADMO CCOC1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219556154 780115464 /nfs/dbraw/zinc/11/54/64/780115464.db2.gz HJJJUXDAFYPYRQ-PQAZSJQKSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219556376 780115952 /nfs/dbraw/zinc/11/59/52/780115952.db2.gz OWKLRHUOAMNUPI-AGIUHOORSA-N 1 1 309.370 -1.136 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219556376 780115957 /nfs/dbraw/zinc/11/59/57/780115957.db2.gz OWKLRHUOAMNUPI-AGIUHOORSA-N 1 1 309.370 -1.136 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001219549212 780116154 /nfs/dbraw/zinc/11/61/54/780116154.db2.gz PFSQUALPVACDBL-NEPJUHHUSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219552914 780116216 /nfs/dbraw/zinc/11/62/16/780116216.db2.gz NOLUSKJAPDMRFS-NEPJUHHUSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001219552914 780116220 /nfs/dbraw/zinc/11/62/20/780116220.db2.gz NOLUSKJAPDMRFS-NEPJUHHUSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219552746 780116504 /nfs/dbraw/zinc/11/65/04/780116504.db2.gz IJUDSIWCFHDTHS-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219552746 780116506 /nfs/dbraw/zinc/11/65/06/780116506.db2.gz IJUDSIWCFHDTHS-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219571670 780118772 /nfs/dbraw/zinc/11/87/72/780118772.db2.gz ZSNOAFXJIVGTEW-MNOVXSKESA-N 1 1 318.374 -2.524 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219571190 780118929 /nfs/dbraw/zinc/11/89/29/780118929.db2.gz JMZJDXJBNDQSGA-TUAOUCFPSA-N 1 1 316.402 -1.372 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001219589371 780120331 /nfs/dbraw/zinc/12/03/31/780120331.db2.gz ZDOHODKRWOMZDM-UPJWGTAASA-N 1 1 312.370 -1.869 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001219589372 780120883 /nfs/dbraw/zinc/12/08/83/780120883.db2.gz ZDOHODKRWOMZDM-XQQFMLRXSA-N 1 1 312.370 -1.869 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001219585850 780120917 /nfs/dbraw/zinc/12/09/17/780120917.db2.gz WKITVCHPRIEFOF-MXWKQRLJSA-N 1 1 313.358 -2.176 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313017826 780122627 /nfs/dbraw/zinc/12/26/27/780122627.db2.gz OXQAIHHGPJTZAR-NWDGAFQWSA-N 1 1 310.416 -1.024 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219611868 780124154 /nfs/dbraw/zinc/12/41/54/780124154.db2.gz NLZXEIMRTMLDFT-MNOVXSKESA-N 1 1 300.359 -2.055 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 ZINC001219611759 780124265 /nfs/dbraw/zinc/12/42/65/780124265.db2.gz IAGBBTNPJRHEGI-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219615241 780125349 /nfs/dbraw/zinc/12/53/49/780125349.db2.gz KFZUVBRAXUNMRW-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621568 780126425 /nfs/dbraw/zinc/12/64/25/780126425.db2.gz CTFAEMRXSMCNHX-SRRSOLGSSA-N 1 1 303.334 -1.684 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1 ZINC001219625708 780126706 /nfs/dbraw/zinc/12/67/06/780126706.db2.gz XVZJZUDYRXSDGN-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656222 780128029 /nfs/dbraw/zinc/12/80/29/780128029.db2.gz QQIZSBPABAAZIX-LPWJVIDDSA-N 1 1 312.414 -1.376 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219643522 780128605 /nfs/dbraw/zinc/12/86/05/780128605.db2.gz XHHQOHFJYDZFGT-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219643522 780128609 /nfs/dbraw/zinc/12/86/09/780128609.db2.gz XHHQOHFJYDZFGT-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637379 780129180 /nfs/dbraw/zinc/12/91/80/780129180.db2.gz CMTJNZZHFLPKMJ-NEPJUHHUSA-N 1 1 312.374 -1.351 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](O)C1 ZINC001219672017 780129951 /nfs/dbraw/zinc/12/99/51/780129951.db2.gz ACCVDIWNTGBLKC-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001219667778 780130261 /nfs/dbraw/zinc/13/02/61/780130261.db2.gz LGIMSWSABGZMKN-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675232 780130282 /nfs/dbraw/zinc/13/02/82/780130282.db2.gz SMHKOTRFBXVRQJ-UTUOFQBUSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219674796 780130338 /nfs/dbraw/zinc/13/03/38/780130338.db2.gz BZSYEWIPGVRBSH-AXFHLTTASA-N 1 1 303.359 -2.319 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219675081 780130389 /nfs/dbraw/zinc/13/03/89/780130389.db2.gz MGIZGJSVVVFZPL-UTUOFQBUSA-N 1 1 301.387 -1.045 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219674939 780130657 /nfs/dbraw/zinc/13/06/57/780130657.db2.gz HHLZXPBYAQTJFK-MXWKQRLJSA-N 1 1 303.359 -2.055 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219672189 780130766 /nfs/dbraw/zinc/13/07/66/780130766.db2.gz IVAVIMXXOFWBFB-AXFHLTTASA-N 1 1 323.415 -2.142 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219675080 780130840 /nfs/dbraw/zinc/13/08/40/780130840.db2.gz MGIZGJSVVVFZPL-TUAOUCFPSA-N 1 1 301.387 -1.045 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675231 780131015 /nfs/dbraw/zinc/13/10/15/780131015.db2.gz SMHKOTRFBXVRQJ-TUAOUCFPSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219730025 780138326 /nfs/dbraw/zinc/13/83/26/780138326.db2.gz SEZJIFJKSDYOQO-UTUOFQBUSA-N 1 1 301.387 -1.357 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)S(C)(=O)=O ZINC001219736488 780138907 /nfs/dbraw/zinc/13/89/07/780138907.db2.gz SZFQRICKXPNJGK-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736693 780140071 /nfs/dbraw/zinc/14/00/71/780140071.db2.gz FMWSRHDONKWYRP-MNOVXSKESA-N 1 1 316.427 -1.365 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219740931 780140763 /nfs/dbraw/zinc/14/07/63/780140763.db2.gz QOYBCOZXEUZMAN-MNOVXSKESA-N 1 1 305.350 -1.388 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219742338 780141213 /nfs/dbraw/zinc/14/12/13/780141213.db2.gz BCFFVSVRMAQFJJ-UTUOFQBUSA-N 1 1 317.386 -1.665 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219748780 780141292 /nfs/dbraw/zinc/14/12/92/780141292.db2.gz BRNFHTGWCVLWEC-CQSZACIVSA-N 1 1 319.369 -1.104 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 ZINC001219748358 780141791 /nfs/dbraw/zinc/14/17/91/780141791.db2.gz UWUGLJFESXVNPF-XQQFMLRXSA-N 1 1 309.366 -1.220 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219742919 780141825 /nfs/dbraw/zinc/14/18/25/780141825.db2.gz UUSQRYWNPZLRKE-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219750223 780142548 /nfs/dbraw/zinc/14/25/48/780142548.db2.gz XZVSPVIOXGILBZ-FPVGNUTFSA-N 1 1 314.415 -1.517 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCCCOC)C[C@@H]1O ZINC001219752277 780142824 /nfs/dbraw/zinc/14/28/24/780142824.db2.gz YTVJIFZTEUACTC-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219753881 780143005 /nfs/dbraw/zinc/14/30/05/780143005.db2.gz LBGARYGNGJLPLU-NEPJUHHUSA-N 1 1 324.385 -1.947 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219750022 780143127 /nfs/dbraw/zinc/14/31/27/780143127.db2.gz URKXUTWEZQIDKR-GFCCVEGCSA-N 1 1 319.369 -2.134 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219751797 780143242 /nfs/dbraw/zinc/14/32/42/780143242.db2.gz DYFVCKMCMLDOSV-NEPJUHHUSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O ZINC001219752275 780143367 /nfs/dbraw/zinc/14/33/67/780143367.db2.gz YPDMRXXLSKZTQF-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cnn2c1CCC2 ZINC001219763642 780143926 /nfs/dbraw/zinc/14/39/26/780143926.db2.gz YRYRXJMLLBSJRK-OCCSQVGLSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2c1CCC2 ZINC001219763642 780143934 /nfs/dbraw/zinc/14/39/34/780143934.db2.gz YRYRXJMLLBSJRK-OCCSQVGLSA-N 1 1 324.381 -1.387 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCOCC1 ZINC001219765631 780144314 /nfs/dbraw/zinc/14/43/14/780144314.db2.gz TYEZMPXFFKHPSY-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001219755992 780144577 /nfs/dbraw/zinc/14/45/77/780144577.db2.gz XBAQSNAMTNFOFI-UTUOFQBUSA-N 1 1 314.386 -1.354 20 0 DAADMO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1CNCc2ccnn21 ZINC001219764397 780145096 /nfs/dbraw/zinc/14/50/96/780145096.db2.gz FDFABERJQOFEHV-XBFCOCLRSA-N 1 1 304.398 -1.063 20 0 DAADMO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CNCc2ccnn21 ZINC001219764397 780145105 /nfs/dbraw/zinc/14/51/05/780145105.db2.gz FDFABERJQOFEHV-XBFCOCLRSA-N 1 1 304.398 -1.063 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219755898 780145122 /nfs/dbraw/zinc/14/51/22/780145122.db2.gz RWBABDRZHMDUGN-UTUOFQBUSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219754268 780145209 /nfs/dbraw/zinc/14/52/09/780145209.db2.gz XJFBLPZVVFUEME-NEPJUHHUSA-N 1 1 324.385 -1.681 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219754268 780145217 /nfs/dbraw/zinc/14/52/17/780145217.db2.gz XJFBLPZVVFUEME-NEPJUHHUSA-N 1 1 324.385 -1.681 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCN1 ZINC001219764936 780145242 /nfs/dbraw/zinc/14/52/42/780145242.db2.gz PRGWGMAYIBGUMB-RFGFWPKPSA-N 1 1 324.425 -1.063 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCN1 ZINC001219764936 780145250 /nfs/dbraw/zinc/14/52/50/780145250.db2.gz PRGWGMAYIBGUMB-RFGFWPKPSA-N 1 1 324.425 -1.063 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219774584 780146842 /nfs/dbraw/zinc/14/68/42/780146842.db2.gz UJNLRXMQONENDB-XQQFMLRXSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774584 780146845 /nfs/dbraw/zinc/14/68/45/780146845.db2.gz UJNLRXMQONENDB-XQQFMLRXSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774584 780146850 /nfs/dbraw/zinc/14/68/50/780146850.db2.gz UJNLRXMQONENDB-XQQFMLRXSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1nnn2c1CNCC2 ZINC001219769477 780147044 /nfs/dbraw/zinc/14/70/44/780147044.db2.gz XLIAEEMGOKELBS-MNOVXSKESA-N 1 1 305.386 -1.595 20 0 DAADMO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1nnn2c1CNCC2 ZINC001219769477 780147047 /nfs/dbraw/zinc/14/70/47/780147047.db2.gz XLIAEEMGOKELBS-MNOVXSKESA-N 1 1 305.386 -1.595 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)o1 ZINC001219792724 780148062 /nfs/dbraw/zinc/14/80/62/780148062.db2.gz VJKIRGSUJLNGHT-OLZOCXBDSA-N 1 1 313.354 -1.304 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)o1 ZINC001219792724 780148065 /nfs/dbraw/zinc/14/80/65/780148065.db2.gz VJKIRGSUJLNGHT-OLZOCXBDSA-N 1 1 313.354 -1.304 20 0 DAADMO O=C(CN1CCNCC1=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793138 780148077 /nfs/dbraw/zinc/14/80/77/780148077.db2.gz AEYHPYFBTJLNSK-UHFFFAOYSA-N 1 1 323.441 -1.249 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800779 780148934 /nfs/dbraw/zinc/14/89/34/780148934.db2.gz MZCTXCUINNBGIA-NEPJUHHUSA-N 1 1 310.398 -1.179 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CN(CCF)C[C@@H]1O ZINC001219800531 780148961 /nfs/dbraw/zinc/14/89/61/780148961.db2.gz PYPIMQWBTFJIGD-UPJWGTAASA-N 1 1 313.377 -1.056 20 0 DAADMO O=C(NCc1noc2c1CNCC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219809948 780149482 /nfs/dbraw/zinc/14/94/82/780149482.db2.gz XGOFSOLDKQTOBC-LLVKDONJSA-N 1 1 307.354 -1.733 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818540 780151526 /nfs/dbraw/zinc/15/15/26/780151526.db2.gz YRZQKHLFLFEWHC-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)nn1 ZINC001219813911 780152050 /nfs/dbraw/zinc/15/20/50/780152050.db2.gz KLQUVTHIOBSLSX-KGLIPLIRSA-N 1 1 322.413 -1.039 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818081 780152091 /nfs/dbraw/zinc/15/20/91/780152091.db2.gz GVCVKAKTJAPFPM-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1noc2c1CNCC2 ZINC001219810868 780152116 /nfs/dbraw/zinc/15/21/16/780152116.db2.gz FDXYKEOOGGFHOJ-JTQLQIEISA-N 1 1 307.354 -1.195 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812152 780152161 /nfs/dbraw/zinc/15/21/61/780152161.db2.gz PERPLDORYMQFKA-OLZOCXBDSA-N 1 1 312.414 -1.280 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCC1 ZINC001219813741 780152204 /nfs/dbraw/zinc/15/22/04/780152204.db2.gz BRLFPWPBZBIBEN-MCIONIFRSA-N 1 1 324.425 -1.089 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834874 780153513 /nfs/dbraw/zinc/15/35/13/780153513.db2.gz TWASEUZVEXISIN-IPYPFGDCSA-N 1 1 323.397 -1.278 20 0 DAADMO O=C(C[C@@H]1COCCN1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838347 780154596 /nfs/dbraw/zinc/15/45/96/780154596.db2.gz PHHKSQSZBGWZGV-UMVBOHGHSA-N 1 1 313.398 -1.124 20 0 DAADMO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CNCCC1=O ZINC001219839441 780155081 /nfs/dbraw/zinc/15/50/81/780155081.db2.gz ZVFAZPINFMNYDD-SLEUVZQESA-N 1 1 311.382 -1.324 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219847174 780156507 /nfs/dbraw/zinc/15/65/07/780156507.db2.gz XQZNNKRWMPHVBT-AXFHLTTASA-N 1 1 301.387 -1.180 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219845787 780156537 /nfs/dbraw/zinc/15/65/37/780156537.db2.gz SKHNQERGOXZVAF-BBBLOLIVSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219846887 780156641 /nfs/dbraw/zinc/15/66/41/780156641.db2.gz IPXZYXJNLRMEIJ-BDAKNGLRSA-N 1 1 323.340 -1.059 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219846887 780156642 /nfs/dbraw/zinc/15/66/42/780156642.db2.gz IPXZYXJNLRMEIJ-BDAKNGLRSA-N 1 1 323.340 -1.059 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001219853188 780157668 /nfs/dbraw/zinc/15/76/68/780157668.db2.gz JFMLYCLMCTYDSO-UTUOFQBUSA-N 1 1 315.370 -2.175 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001219853188 780157669 /nfs/dbraw/zinc/15/76/69/780157669.db2.gz JFMLYCLMCTYDSO-UTUOFQBUSA-N 1 1 315.370 -2.175 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1ccsn1 ZINC001219858711 780157679 /nfs/dbraw/zinc/15/76/79/780157679.db2.gz ZRHKVEGGHXLFQX-MNOVXSKESA-N 1 1 301.368 -1.073 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1ccsn1 ZINC001219858711 780157680 /nfs/dbraw/zinc/15/76/80/780157680.db2.gz ZRHKVEGGHXLFQX-MNOVXSKESA-N 1 1 301.368 -1.073 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879629 780158766 /nfs/dbraw/zinc/15/87/66/780158766.db2.gz OMJSQGSOFRNPHT-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219879394 780159019 /nfs/dbraw/zinc/15/90/19/780159019.db2.gz JNFYYKVBEWIYOE-MCIONIFRSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219875917 780159119 /nfs/dbraw/zinc/15/91/19/780159119.db2.gz KLCKOUYABIBDDZ-NEPJUHHUSA-N 1 1 311.338 -1.543 20 0 DAADMO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219875917 780159123 /nfs/dbraw/zinc/15/91/23/780159123.db2.gz KLCKOUYABIBDDZ-NEPJUHHUSA-N 1 1 311.338 -1.543 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001219902718 780161292 /nfs/dbraw/zinc/16/12/92/780161292.db2.gz HWSUTNPOTLICDX-WOPDTQHZSA-N 1 1 312.414 -1.234 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219894273 780161306 /nfs/dbraw/zinc/16/13/06/780161306.db2.gz XZJAFQSCCKAHRS-NEPJUHHUSA-N 1 1 314.386 -1.944 20 0 DAADMO [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001219904671 780161950 /nfs/dbraw/zinc/16/19/50/780161950.db2.gz YTUGHTJSHAOPFO-XCBNKYQSSA-N 1 1 301.372 -1.838 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219905012 780161959 /nfs/dbraw/zinc/16/19/59/780161959.db2.gz RCIRZKQJACVENI-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO CCOCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219905012 780161963 /nfs/dbraw/zinc/16/19/63/780161963.db2.gz RCIRZKQJACVENI-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219924207 780162017 /nfs/dbraw/zinc/16/20/17/780162017.db2.gz OSSGSPIESJDEKH-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001219923818 780162162 /nfs/dbraw/zinc/16/21/62/780162162.db2.gz COARCBGFAILHON-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001219923818 780162165 /nfs/dbraw/zinc/16/21/65/780162165.db2.gz COARCBGFAILHON-UTUOFQBUSA-N 1 1 315.370 -2.317 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCC[NH2+]CCO ZINC001219919206 780162216 /nfs/dbraw/zinc/16/22/16/780162216.db2.gz ZKXPXJSOZHULEW-JTQLQIEISA-N 1 1 304.391 -2.057 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001219923817 780162358 /nfs/dbraw/zinc/16/23/58/780162358.db2.gz COARCBGFAILHON-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001219923817 780162365 /nfs/dbraw/zinc/16/23/65/780162365.db2.gz COARCBGFAILHON-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904669 780162454 /nfs/dbraw/zinc/16/24/54/780162454.db2.gz YTUGHTJSHAOPFO-GMSGAONNSA-N 1 1 301.372 -1.838 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219928135 780163476 /nfs/dbraw/zinc/16/34/76/780163476.db2.gz RNOJQHUNMLFOFV-BIMULSAOSA-N 1 1 312.370 -1.246 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1n[nH]c2c1CCC2 ZINC001219929869 780163568 /nfs/dbraw/zinc/16/35/68/780163568.db2.gz NZHWMNDRSLUTEH-OLZOCXBDSA-N 1 1 324.381 -1.318 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1n[nH]c2c1CCC2 ZINC001219929869 780163571 /nfs/dbraw/zinc/16/35/71/780163571.db2.gz NZHWMNDRSLUTEH-OLZOCXBDSA-N 1 1 324.381 -1.318 20 0 DAADMO Cc1nnc(COCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)s1 ZINC001219955245 780165364 /nfs/dbraw/zinc/16/53/64/780165364.db2.gz OTRYJXDGTICOBH-ZJUUUORDSA-N 1 1 316.383 -1.483 20 0 DAADMO Cc1nnc(COCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)s1 ZINC001219955245 780165372 /nfs/dbraw/zinc/16/53/72/780165372.db2.gz OTRYJXDGTICOBH-ZJUUUORDSA-N 1 1 316.383 -1.483 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001219953214 780166013 /nfs/dbraw/zinc/16/60/13/780166013.db2.gz HJLLJFCMAOLETL-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cncn2C)[C@@H](O)C1 ZINC001219953214 780166016 /nfs/dbraw/zinc/16/60/16/780166016.db2.gz HJLLJFCMAOLETL-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001219939393 780166086 /nfs/dbraw/zinc/16/60/86/780166086.db2.gz CSTQBMSROMMDQR-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219941953 780166219 /nfs/dbraw/zinc/16/62/19/780166219.db2.gz ZHYQMJQTGJYWSA-NEPJUHHUSA-N 1 1 316.402 -2.404 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220014708 780170226 /nfs/dbraw/zinc/17/02/26/780170226.db2.gz VXUJEJIWJONGCB-MJBXVCDLSA-N 1 1 324.381 -1.422 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NC1(CO)CCOCC1 ZINC001220018693 780171890 /nfs/dbraw/zinc/17/18/90/780171890.db2.gz OGOYVQPKJCZIHG-GFCCVEGCSA-N 1 1 300.403 -1.606 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220041052 780173901 /nfs/dbraw/zinc/17/39/01/780173901.db2.gz VRMAAOLZFIHDNJ-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nn[n-]n1 ZINC001220074113 780175121 /nfs/dbraw/zinc/17/51/21/780175121.db2.gz OVNUPZPDLXFUKG-UWVGGRQHSA-N 1 1 324.389 -1.737 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001220073459 780175171 /nfs/dbraw/zinc/17/51/71/780175171.db2.gz BDJNCXJZNBGTAF-BBBLOLIVSA-N 1 1 324.403 -2.764 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001220075531 780175433 /nfs/dbraw/zinc/17/54/33/780175433.db2.gz BMUFZDMXKYAFHQ-MNOVXSKESA-N 1 1 322.431 -1.752 20 0 DAADMO O=C(NCc1nn[nH]n1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220074292 780175794 /nfs/dbraw/zinc/17/57/94/780175794.db2.gz UWYMHOTWBAAFHL-QMMMGPOBSA-N 1 1 314.371 -1.770 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CCOCC1 ZINC001220083860 780176432 /nfs/dbraw/zinc/17/64/32/780176432.db2.gz RLFYEWIHLUCCHB-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCOCC1 ZINC001220083860 780176436 /nfs/dbraw/zinc/17/64/36/780176436.db2.gz RLFYEWIHLUCCHB-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CCOCC1 ZINC001220083859 780176569 /nfs/dbraw/zinc/17/65/69/780176569.db2.gz RLFYEWIHLUCCHB-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCOCC1 ZINC001220083859 780176574 /nfs/dbraw/zinc/17/65/74/780176574.db2.gz RLFYEWIHLUCCHB-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001220076431 780176660 /nfs/dbraw/zinc/17/66/60/780176660.db2.gz ZQFDOTRMWZLQAH-BBBLOLIVSA-N 1 1 324.403 -2.764 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001220076345 780177244 /nfs/dbraw/zinc/17/72/44/780177244.db2.gz XGLHGTKVTUUXMK-ZJUUUORDSA-N 1 1 308.404 -2.143 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220076285 780177345 /nfs/dbraw/zinc/17/73/45/780177345.db2.gz VCDNYWYKBYBISQ-BDAKNGLRSA-N 1 1 310.376 -3.416 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085987 780177486 /nfs/dbraw/zinc/17/74/86/780177486.db2.gz UZBSWJYDDTZQSR-KOLCDFICSA-N 1 1 316.383 -1.024 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001220085987 780177490 /nfs/dbraw/zinc/17/74/90/780177490.db2.gz UZBSWJYDDTZQSR-KOLCDFICSA-N 1 1 316.383 -1.024 20 0 DAADMO COC(=O)[C@H](CCC(=O)[O-])NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220104987 780178656 /nfs/dbraw/zinc/17/86/56/780178656.db2.gz RDICOHLLSDWNRD-JTQLQIEISA-N 1 1 301.343 -1.149 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220105982 780179669 /nfs/dbraw/zinc/17/96/69/780179669.db2.gz VHYPGWMQIIOUGO-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220105982 780179677 /nfs/dbraw/zinc/17/96/77/780179677.db2.gz VHYPGWMQIIOUGO-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001220120027 780181161 /nfs/dbraw/zinc/18/11/61/780181161.db2.gz ZLJJOCLHXQXGTM-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220130137 780181389 /nfs/dbraw/zinc/18/13/89/780181389.db2.gz NYIKXBXARFSFDY-XQQFMLRXSA-N 1 1 311.382 -1.290 20 0 DAADMO CCC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220128095 780181411 /nfs/dbraw/zinc/18/14/11/780181411.db2.gz SJZANZCNBMJUNI-AGIUHOORSA-N 1 1 304.387 -1.028 20 0 DAADMO CCC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220128095 780181415 /nfs/dbraw/zinc/18/14/15/780181415.db2.gz SJZANZCNBMJUNI-AGIUHOORSA-N 1 1 304.387 -1.028 20 0 DAADMO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220128096 780181462 /nfs/dbraw/zinc/18/14/62/780181462.db2.gz SJZANZCNBMJUNI-FRRDWIJNSA-N 1 1 304.387 -1.028 20 0 DAADMO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220128096 780181466 /nfs/dbraw/zinc/18/14/66/780181466.db2.gz SJZANZCNBMJUNI-FRRDWIJNSA-N 1 1 304.387 -1.028 20 0 DAADMO N=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)SCCS(=O)(=O)[O-] ZINC001220127288 780181548 /nfs/dbraw/zinc/18/15/48/780181548.db2.gz OTZLCPNHQJFADK-UHFFFAOYSA-N 1 1 324.428 -1.000 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220130173 780181585 /nfs/dbraw/zinc/18/15/85/780181585.db2.gz PITRSWZKCUTWDZ-NGZCFLSTSA-N 1 1 314.342 -2.092 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220131951 780181803 /nfs/dbraw/zinc/18/18/03/780181803.db2.gz BSNZEWBOIGKBFQ-VWYCJHECSA-N 1 1 300.359 -1.792 20 0 DAADMO CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001220122119 780181819 /nfs/dbraw/zinc/18/18/19/780181819.db2.gz JCQMAMUDUSWKFO-JKWAOEONSA-N 1 1 324.425 -1.064 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220132910 780182787 /nfs/dbraw/zinc/18/27/87/780182787.db2.gz YDAHYCBBIWUETJ-BBBLOLIVSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220132910 780182791 /nfs/dbraw/zinc/18/27/91/780182791.db2.gz YDAHYCBBIWUETJ-BBBLOLIVSA-N 1 1 321.324 -1.435 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136619 780182823 /nfs/dbraw/zinc/18/28/23/780182823.db2.gz ZYYKEFNBWXKZJU-BIMULSAOSA-N 1 1 323.397 -1.099 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136619 780182830 /nfs/dbraw/zinc/18/28/30/780182830.db2.gz ZYYKEFNBWXKZJU-BIMULSAOSA-N 1 1 323.397 -1.099 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220136467 780183118 /nfs/dbraw/zinc/18/31/18/780183118.db2.gz XNRGUMXXJOUVGX-UHTWSYAYSA-N 1 1 323.397 -1.365 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)NC1=O ZINC001220132783 780183188 /nfs/dbraw/zinc/18/31/88/780183188.db2.gz TVNMGNHAWGDOGW-VWYCJHECSA-N 1 1 316.358 -2.820 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)NC1=O ZINC001220132783 780183199 /nfs/dbraw/zinc/18/31/99/780183199.db2.gz TVNMGNHAWGDOGW-VWYCJHECSA-N 1 1 316.358 -2.820 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159851 780185737 /nfs/dbraw/zinc/18/57/37/780185737.db2.gz RRVAOFRAVJKZFC-ZJUUUORDSA-N 1 1 314.346 -2.352 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159851 780185743 /nfs/dbraw/zinc/18/57/43/780185743.db2.gz RRVAOFRAVJKZFC-ZJUUUORDSA-N 1 1 314.346 -2.352 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220156498 780186045 /nfs/dbraw/zinc/18/60/45/780186045.db2.gz XURRZYQIWNCDPD-XQQFMLRXSA-N 1 1 322.377 -1.079 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220164143 780186950 /nfs/dbraw/zinc/18/69/50/780186950.db2.gz ACEHMEJLLRGPIK-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220164143 780186954 /nfs/dbraw/zinc/18/69/54/780186954.db2.gz ACEHMEJLLRGPIK-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO COCCCCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220165675 780187448 /nfs/dbraw/zinc/18/74/48/780187448.db2.gz HJHRPNNUXREWJW-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)n1 ZINC001220166232 780187787 /nfs/dbraw/zinc/18/77/87/780187787.db2.gz UTPDTCCLJVPORQ-MNOVXSKESA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)n1 ZINC001220166232 780187792 /nfs/dbraw/zinc/18/77/92/780187792.db2.gz UTPDTCCLJVPORQ-MNOVXSKESA-N 1 1 310.358 -1.588 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166500 780188343 /nfs/dbraw/zinc/18/83/43/780188343.db2.gz COKPKWJMGZIQNR-JUFZMCDQSA-N 1 1 312.414 -1.151 20 0 DAADMO Cn1ccc(CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)cc1=O ZINC001220179774 780190102 /nfs/dbraw/zinc/19/01/02/780190102.db2.gz RNQOOSJSKLPWOP-ZDUSSCGKSA-N 1 1 307.398 -1.248 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001220211995 780190810 /nfs/dbraw/zinc/19/08/10/780190810.db2.gz WRWZNUGWJBREDD-BNOWGMLFSA-N 1 1 324.381 -1.250 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001220211995 780190814 /nfs/dbraw/zinc/19/08/14/780190814.db2.gz WRWZNUGWJBREDD-BNOWGMLFSA-N 1 1 324.381 -1.250 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)n2C)[C@@H](O)C1 ZINC001220214658 780191244 /nfs/dbraw/zinc/19/12/44/780191244.db2.gz JMMRIMPHYSFMED-LOWVWBTDSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207908 780191283 /nfs/dbraw/zinc/19/12/83/780191283.db2.gz YMUKZIGVNDQEEX-QCNOEVLYSA-N 1 1 315.370 -2.224 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225992 780191431 /nfs/dbraw/zinc/19/14/31/780191431.db2.gz XCKGBDUCLXURTG-JLLWLGSASA-N 1 1 310.354 -1.294 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225069 780191452 /nfs/dbraw/zinc/19/14/52/780191452.db2.gz FDUGKCSRGYJSNC-NEPJUHHUSA-N 1 1 310.354 -1.029 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236930 780192308 /nfs/dbraw/zinc/19/23/08/780192308.db2.gz KPCGVTYECGYTNH-TUAOUCFPSA-N 1 1 314.386 -1.354 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227307 780192548 /nfs/dbraw/zinc/19/25/48/780192548.db2.gz NCGAIDKPMWYDNG-UHTWSYAYSA-N 1 1 312.370 -1.005 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237272 780194323 /nfs/dbraw/zinc/19/43/23/780194323.db2.gz RSWDLIYOWPQQJO-MXWKQRLJSA-N 1 1 300.359 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220242712 780194392 /nfs/dbraw/zinc/19/43/92/780194392.db2.gz CTQKHLJQCJYETH-MJBXVCDLSA-N 1 1 321.377 -1.373 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220237450 780194440 /nfs/dbraw/zinc/19/44/40/780194440.db2.gz WXUCGZAPFDPGKW-AEJSXWLSSA-N 1 1 302.331 -3.162 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001220237450 780194446 /nfs/dbraw/zinc/19/44/46/780194446.db2.gz WXUCGZAPFDPGKW-AEJSXWLSSA-N 1 1 302.331 -3.162 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249646 780195520 /nfs/dbraw/zinc/19/55/20/780195520.db2.gz UFARPEAEWHEWCC-AXFHLTTASA-N 1 1 323.415 -1.749 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220244090 780195630 /nfs/dbraw/zinc/19/56/30/780195630.db2.gz YLJGSVDDUWTCSI-TUAOUCFPSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220244090 780195636 /nfs/dbraw/zinc/19/56/36/780195636.db2.gz YLJGSVDDUWTCSI-TUAOUCFPSA-N 1 1 315.370 -1.781 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220256020 780196363 /nfs/dbraw/zinc/19/63/63/780196363.db2.gz BOMWZMNMZUDKIO-VWYCJHECSA-N 1 1 324.381 -1.966 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220256020 780196366 /nfs/dbraw/zinc/19/63/66/780196366.db2.gz BOMWZMNMZUDKIO-VWYCJHECSA-N 1 1 324.381 -1.966 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220256018 780197078 /nfs/dbraw/zinc/19/70/78/780197078.db2.gz BOMWZMNMZUDKIO-MXWKQRLJSA-N 1 1 324.381 -1.966 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)C1=O ZINC001220256018 780197081 /nfs/dbraw/zinc/19/70/81/780197081.db2.gz BOMWZMNMZUDKIO-MXWKQRLJSA-N 1 1 324.381 -1.966 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256415 780197141 /nfs/dbraw/zinc/19/71/41/780197141.db2.gz QXRGKIYVULPAHM-NEPJUHHUSA-N 1 1 321.381 -1.611 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275173 780198284 /nfs/dbraw/zinc/19/82/84/780198284.db2.gz QRTOEBAPQGJHEH-NGZCFLSTSA-N 1 1 314.342 -2.092 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220276437 780198687 /nfs/dbraw/zinc/19/86/87/780198687.db2.gz AHOUUBVLSBHIOF-XQQFMLRXSA-N 1 1 322.413 -1.122 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295313 780200409 /nfs/dbraw/zinc/20/04/09/780200409.db2.gz MBLMPJZZMQTXOL-SFGNSQDASA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001220295313 780200413 /nfs/dbraw/zinc/20/04/13/780200413.db2.gz MBLMPJZZMQTXOL-SFGNSQDASA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001220278721 780200620 /nfs/dbraw/zinc/20/06/20/780200620.db2.gz GCDADQFRQLEQOR-XQHKEYJVSA-N 1 1 302.371 -1.418 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)[C@@H](O)C1 ZINC001220278720 780200657 /nfs/dbraw/zinc/20/06/57/780200657.db2.gz GCDADQFRQLEQOR-LPWJVIDDSA-N 1 1 302.371 -1.418 20 0 DAADMO Cc1cc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)n(N)c(=O)c1 ZINC001220323068 780202696 /nfs/dbraw/zinc/20/26/96/780202696.db2.gz CBIVHODLOCHIGO-NSHDSACASA-N 1 1 308.386 -1.441 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220355032 780204219 /nfs/dbraw/zinc/20/42/19/780204219.db2.gz AVMZRVOVJCMZNV-MCIONIFRSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220352003 780204287 /nfs/dbraw/zinc/20/42/87/780204287.db2.gz PXKKZWCRKWIZEB-MCIONIFRSA-N 1 1 315.414 -1.359 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001220329664 780205361 /nfs/dbraw/zinc/20/53/61/780205361.db2.gz WLTJBHMJFQZBJI-QWRGUYRKSA-N 1 1 309.322 -1.590 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220362607 780206559 /nfs/dbraw/zinc/20/65/59/780206559.db2.gz ZWBVJIVMNUPRTF-YTWAJWBKSA-N 1 1 301.343 -2.722 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220362607 780206563 /nfs/dbraw/zinc/20/65/63/780206563.db2.gz ZWBVJIVMNUPRTF-YTWAJWBKSA-N 1 1 301.343 -2.722 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359149 780207078 /nfs/dbraw/zinc/20/70/78/780207078.db2.gz CIFJERAOVAAZPC-NEPJUHHUSA-N 1 1 314.430 -1.128 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(N3CCOCC3)nn2)C1 ZINC001220390282 780208053 /nfs/dbraw/zinc/20/80/53/780208053.db2.gz WQYBFILQWHLWPC-JQWIXIFHSA-N 1 1 306.370 -1.381 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220377759 780209119 /nfs/dbraw/zinc/20/91/19/780209119.db2.gz MZAMFWNTVGPLTM-NDBYEHHHSA-N 1 1 302.371 -1.418 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220377759 780209129 /nfs/dbraw/zinc/20/91/29/780209129.db2.gz MZAMFWNTVGPLTM-NDBYEHHHSA-N 1 1 302.371 -1.418 20 0 DAADMO O=C(NCc1ccc(N2CCOCC2)nn1)[C@@H]1COCC[NH2+]1 ZINC001220390099 780209147 /nfs/dbraw/zinc/20/91/47/780209147.db2.gz OGQXUMIPABCOQY-LBPRGKRZSA-N 1 1 307.354 -1.082 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428157 780212911 /nfs/dbraw/zinc/21/29/11/780212911.db2.gz UOEVRQGVYGGNSH-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2COCCN2)COC1(C)C ZINC001220432089 780213560 /nfs/dbraw/zinc/21/35/60/780213560.db2.gz XRWUTIHNOOSYME-DCAQKATOSA-N 1 1 314.386 -1.598 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439510 780214299 /nfs/dbraw/zinc/21/42/99/780214299.db2.gz YJEZEJRRFOMHGO-MNOVXSKESA-N 1 1 322.431 -1.800 20 0 DAADMO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1 ZINC001220428890 780214707 /nfs/dbraw/zinc/21/47/07/780214707.db2.gz HDEOHQZOIYEQCH-SRVKXCTJSA-N 1 1 300.403 -1.031 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439263 780214841 /nfs/dbraw/zinc/21/48/41/780214841.db2.gz PRGSVKVAYMNKFI-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220478625 780215712 /nfs/dbraw/zinc/21/57/12/780215712.db2.gz FQMOUVPSDCGFPG-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220478625 780215722 /nfs/dbraw/zinc/21/57/22/780215722.db2.gz FQMOUVPSDCGFPG-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001220465724 780215777 /nfs/dbraw/zinc/21/57/77/780215777.db2.gz RBBHWACKHUJUSJ-MNOVXSKESA-N 1 1 316.402 -1.108 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220465724 780215785 /nfs/dbraw/zinc/21/57/85/780215785.db2.gz RBBHWACKHUJUSJ-MNOVXSKESA-N 1 1 316.402 -1.108 20 0 DAADMO COCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220465169 780216073 /nfs/dbraw/zinc/21/60/73/780216073.db2.gz AJZXFZIIRIKXPB-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220465169 780216084 /nfs/dbraw/zinc/21/60/84/780216084.db2.gz AJZXFZIIRIKXPB-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(=O)Cc1ccccc1 ZINC001220462569 780216108 /nfs/dbraw/zinc/21/61/08/780216108.db2.gz GVYWKMXWZJRMSL-GWCFXTLKSA-N 1 1 307.350 -1.261 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H]2CCOC2)[C@@H](O)C1 ZINC001220450001 780216227 /nfs/dbraw/zinc/21/62/27/780216227.db2.gz FHELHZHMJAQZNZ-UPJWGTAASA-N 1 1 302.371 -1.153 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H](O)C1 ZINC001220494524 780217639 /nfs/dbraw/zinc/21/76/39/780217639.db2.gz FQXKXSUJNMXVOR-AXFHLTTASA-N 1 1 300.359 -2.062 20 0 DAADMO COCCOCCOCCOCCNC(=O)[C@@H]1COC[NH2+]1 ZINC001220512531 780219738 /nfs/dbraw/zinc/21/97/38/780219738.db2.gz SUKUPRTWMZLVCN-LBPRGKRZSA-N 1 1 306.359 -1.255 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C(C)C ZINC001220504505 780219943 /nfs/dbraw/zinc/21/99/43/780219943.db2.gz FWENLLNZXGSMML-MDZLAQPJSA-N 1 1 317.386 -2.073 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(C)C ZINC001220504505 780219945 /nfs/dbraw/zinc/21/99/45/780219945.db2.gz FWENLLNZXGSMML-MDZLAQPJSA-N 1 1 317.386 -2.073 20 0 DAADMO COCCOCCOCCOCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220514638 780219960 /nfs/dbraw/zinc/21/99/60/780219960.db2.gz STXOFSQBFZUFQA-ZDUSSCGKSA-N 1 1 320.386 -1.213 20 0 DAADMO CN(CC[NH3+])CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CN ZINC001220517401 780222151 /nfs/dbraw/zinc/22/21/51/780222151.db2.gz KCXTTZXARJGIGD-AWEZNQCLSA-N 1 1 321.425 -1.321 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220522266 780223037 /nfs/dbraw/zinc/22/30/37/780223037.db2.gz KJLGVGZSFCJDIV-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220522266 780223042 /nfs/dbraw/zinc/22/30/42/780223042.db2.gz KJLGVGZSFCJDIV-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220530530 780224837 /nfs/dbraw/zinc/22/48/37/780224837.db2.gz WGBTXUXYQVJHSU-WCQGTBRESA-N 1 1 301.387 -1.309 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](O)C1 ZINC001220537658 780224958 /nfs/dbraw/zinc/22/49/58/780224958.db2.gz CCKZFQRTUPXJQG-BNOWGMLFSA-N 1 1 324.381 -1.124 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001220538826 780225135 /nfs/dbraw/zinc/22/51/35/780225135.db2.gz AADKLHDRTGCTAW-MNOVXSKESA-N 1 1 313.354 -1.763 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001220558145 780226170 /nfs/dbraw/zinc/22/61/70/780226170.db2.gz MHIODEROHBZTAA-UTUOFQBUSA-N 1 1 314.386 -1.674 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](O)C1 ZINC001220560177 780226258 /nfs/dbraw/zinc/22/62/58/780226258.db2.gz VPUCMQMSRYZERM-TUAOUCFPSA-N 1 1 312.370 -1.191 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553917 780226323 /nfs/dbraw/zinc/22/63/23/780226323.db2.gz XZOUTYJVFVRUJF-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220562319 780226848 /nfs/dbraw/zinc/22/68/48/780226848.db2.gz YUSFAZVFAVAWLX-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220562319 780226852 /nfs/dbraw/zinc/22/68/52/780226852.db2.gz YUSFAZVFAVAWLX-NEPJUHHUSA-N 1 1 324.385 -1.646 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553591 780226934 /nfs/dbraw/zinc/22/69/34/780226934.db2.gz MBIBJAZXZNLHCZ-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553892 780226998 /nfs/dbraw/zinc/22/69/98/780226998.db2.gz WQFYQWIIZAPONZ-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553392 780227135 /nfs/dbraw/zinc/22/71/35/780227135.db2.gz HSCSAMWSMPSSMQ-MNOVXSKESA-N 1 1 300.359 -2.645 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001220565504 780228942 /nfs/dbraw/zinc/22/89/42/780228942.db2.gz TUMSMNYAWXTYTJ-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571706 780229454 /nfs/dbraw/zinc/22/94/54/780229454.db2.gz XNCVOAWZKPQEEW-DDHJBXDOSA-N 1 1 311.382 -1.434 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001220562791 780229573 /nfs/dbraw/zinc/22/95/73/780229573.db2.gz GDWXJBAZLNRXJA-MNOVXSKESA-N 1 1 310.354 -1.504 20 0 DAADMO O=C(CCc1ncccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220591835 780231760 /nfs/dbraw/zinc/23/17/60/780231760.db2.gz MLWJWWHHMOVJGJ-OLZOCXBDSA-N 1 1 324.381 -1.421 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001220590839 780232061 /nfs/dbraw/zinc/23/20/61/780232061.db2.gz XXMJXDGOZJZFNV-NEPJUHHUSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001220590839 780232065 /nfs/dbraw/zinc/23/20/65/780232065.db2.gz XXMJXDGOZJZFNV-NEPJUHHUSA-N 1 1 310.354 -1.086 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001220593973 780232253 /nfs/dbraw/zinc/23/22/53/780232253.db2.gz MXFKNEWLVUHZNE-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccs2)[C@@H](O)C1 ZINC001220593973 780232257 /nfs/dbraw/zinc/23/22/57/780232257.db2.gz MXFKNEWLVUHZNE-BBBLOLIVSA-N 1 1 301.368 -1.075 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606139 780234011 /nfs/dbraw/zinc/23/40/11/780234011.db2.gz HJLDPFGPUHRKGM-TUAOUCFPSA-N 1 1 312.374 -1.615 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCOC1 ZINC001220606100 780234334 /nfs/dbraw/zinc/23/43/34/780234334.db2.gz FQHCKCPYIJKOCW-MBNYWOFBSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCOC1 ZINC001220606100 780234337 /nfs/dbraw/zinc/23/43/37/780234337.db2.gz FQHCKCPYIJKOCW-MBNYWOFBSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635204 780235371 /nfs/dbraw/zinc/23/53/71/780235371.db2.gz NTSCWCYXYIFLFN-RNJXMRFFSA-N 1 1 313.276 -1.793 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635204 780235375 /nfs/dbraw/zinc/23/53/75/780235375.db2.gz NTSCWCYXYIFLFN-RNJXMRFFSA-N 1 1 313.276 -1.793 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606458 780235557 /nfs/dbraw/zinc/23/55/57/780235557.db2.gz TZLABPMNZUBPNQ-NEPJUHHUSA-N 1 1 312.374 -1.351 20 0 DAADMO CCOCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001220636283 780235575 /nfs/dbraw/zinc/23/55/75/780235575.db2.gz BRZLWUGFVOQKAF-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO CCOCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001220636283 780235578 /nfs/dbraw/zinc/23/55/78/780235578.db2.gz BRZLWUGFVOQKAF-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220635125 780235623 /nfs/dbraw/zinc/23/56/23/780235623.db2.gz KJMNSZPXCMPITG-NEPJUHHUSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220635125 780235627 /nfs/dbraw/zinc/23/56/27/780235627.db2.gz KJMNSZPXCMPITG-NEPJUHHUSA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635193 780235735 /nfs/dbraw/zinc/23/57/35/780235735.db2.gz NDZLZSHAJMWZAC-UTUOFQBUSA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635193 780235737 /nfs/dbraw/zinc/23/57/37/780235737.db2.gz NDZLZSHAJMWZAC-UTUOFQBUSA-N 1 1 315.370 -2.319 20 0 DAADMO NCC(=O)NCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648940 780236765 /nfs/dbraw/zinc/23/67/65/780236765.db2.gz ORXQLDJXXHMOBT-UHFFFAOYSA-N 1 1 305.382 -1.213 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220644073 780237016 /nfs/dbraw/zinc/23/70/16/780237016.db2.gz FTQJTEMDPBDRCB-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220656482 780237570 /nfs/dbraw/zinc/23/75/70/780237570.db2.gz DEWYXBVVGOJYHV-MXWKQRLJSA-N 1 1 323.415 -2.190 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220644063 780237692 /nfs/dbraw/zinc/23/76/92/780237692.db2.gz FAYMCXQBXWEQPG-NEPJUHHUSA-N 1 1 310.354 -1.823 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653755 780237757 /nfs/dbraw/zinc/23/77/57/780237757.db2.gz TWMYUKASNRCQPC-UTUOFQBUSA-N 1 1 310.354 -1.825 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220657029 780239193 /nfs/dbraw/zinc/23/91/93/780239193.db2.gz ZVESFKGNXHFXAD-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220660766 780239227 /nfs/dbraw/zinc/23/92/27/780239227.db2.gz AZEAZZZJXPJWKH-MNOVXSKESA-N 1 1 313.358 -2.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001220683619 780239645 /nfs/dbraw/zinc/23/96/45/780239645.db2.gz WOKZQBSCAUBVKO-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 ZINC001220656511 780239767 /nfs/dbraw/zinc/23/97/67/780239767.db2.gz FCMPXCDAFGDYPN-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220710707 780241971 /nfs/dbraw/zinc/24/19/71/780241971.db2.gz YVLUKHWFPMIAOK-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001220710463 780242242 /nfs/dbraw/zinc/24/22/42/780242242.db2.gz QVFMZUVTEKCINP-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO COCCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001220710463 780242248 /nfs/dbraw/zinc/24/22/48/780242248.db2.gz QVFMZUVTEKCINP-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220755566 780242913 /nfs/dbraw/zinc/24/29/13/780242913.db2.gz QOHRDTONVCEQLX-MCIONIFRSA-N 1 1 315.414 -1.502 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220755566 780242923 /nfs/dbraw/zinc/24/29/23/780242923.db2.gz QOHRDTONVCEQLX-MCIONIFRSA-N 1 1 315.414 -1.502 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001220724466 780243876 /nfs/dbraw/zinc/24/38/76/780243876.db2.gz QCVGTKHLCWTQAH-TUAOUCFPSA-N 1 1 317.386 -1.799 20 0 DAADMO Cc1nc(C)n(CCCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001220730694 780244224 /nfs/dbraw/zinc/24/42/24/780244224.db2.gz KBAJZRRLYSWYRS-OLZOCXBDSA-N 1 1 311.386 -1.171 20 0 DAADMO COC[C@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764471 780244785 /nfs/dbraw/zinc/24/47/85/780244785.db2.gz MDYGCNBGKCSMIN-XQQFMLRXSA-N 1 1 303.403 -1.239 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@@H](O)C1 ZINC001220759731 780245527 /nfs/dbraw/zinc/24/55/27/780245527.db2.gz LENSHNSALKTJTD-OUAUKWLOSA-N 1 1 316.402 -1.123 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220761921 780245937 /nfs/dbraw/zinc/24/59/37/780245937.db2.gz FWVZJYOBGBYDPJ-UTLUCORTSA-N 1 1 302.375 -1.777 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220761921 780245944 /nfs/dbraw/zinc/24/59/44/780245944.db2.gz FWVZJYOBGBYDPJ-UTLUCORTSA-N 1 1 302.375 -1.777 20 0 DAADMO CO[C@@H](C)CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768356 780245975 /nfs/dbraw/zinc/24/59/75/780245975.db2.gz IJCNBYMZHHNHPN-XQQFMLRXSA-N 1 1 303.403 -1.239 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220769238 780247758 /nfs/dbraw/zinc/24/77/58/780247758.db2.gz LPVLJHDMJOJAIS-NWDGAFQWSA-N 1 1 320.353 -1.087 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220816924 780248777 /nfs/dbraw/zinc/24/87/77/780248777.db2.gz HPODXPFWOAHZKL-TUAOUCFPSA-N 1 1 300.403 -1.247 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@@H](O)C1 ZINC001220809229 780248905 /nfs/dbraw/zinc/24/89/05/780248905.db2.gz ONWSMPUYPNIJGP-FRRDWIJNSA-N 1 1 301.387 -1.045 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001220815635 780249439 /nfs/dbraw/zinc/24/94/39/780249439.db2.gz SKVDBKRSLMZVCO-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CCOC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CNC1 ZINC001220851385 780252386 /nfs/dbraw/zinc/25/23/86/780252386.db2.gz UPXXQMSFXSEPSO-JTQLQIEISA-N 1 1 314.386 -1.503 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001220852830 780252430 /nfs/dbraw/zinc/25/24/30/780252430.db2.gz YYHSIECEFUSVIQ-UHTWSYAYSA-N 1 1 312.370 -1.571 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CNC1 ZINC001220851481 780252610 /nfs/dbraw/zinc/25/26/10/780252610.db2.gz XOBSNHNJGSHOGO-SNVBAGLBSA-N 1 1 324.381 -1.877 20 0 DAADMO C[C@@]1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCS(=O)(=O)N1 ZINC001220854102 780252849 /nfs/dbraw/zinc/25/28/49/780252849.db2.gz RZPPLPCWPBOROB-SCVCMEIPSA-N 1 1 321.399 -2.388 20 0 DAADMO CCOC(=O)C1(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CNC1 ZINC001220851155 780252867 /nfs/dbraw/zinc/25/28/67/780252867.db2.gz KAQQRMCIXBUCKG-UHFFFAOYSA-N 1 1 322.387 -2.772 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874148 780253878 /nfs/dbraw/zinc/25/38/78/780253878.db2.gz ATESLFBCLTZDNX-LUTQBAROSA-N 1 1 312.370 -2.334 20 0 DAADMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876155 780254198 /nfs/dbraw/zinc/25/41/98/780254198.db2.gz FVSCRLQCWLFNDL-NSHDSACASA-N 1 1 321.337 -1.663 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220875575 780254831 /nfs/dbraw/zinc/25/48/31/780254831.db2.gz QFBKHRHHZHMMNZ-NEPJUHHUSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220875575 780254833 /nfs/dbraw/zinc/25/48/33/780254833.db2.gz QFBKHRHHZHMMNZ-NEPJUHHUSA-N 1 1 312.370 -1.244 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220927219 780258037 /nfs/dbraw/zinc/25/80/37/780258037.db2.gz VNRDCAYWPCJUDU-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO CC(=O)NCCCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220917555 780258642 /nfs/dbraw/zinc/25/86/42/780258642.db2.gz CISYTKUUKBZMCA-OLZOCXBDSA-N 1 1 301.387 -1.164 20 0 DAADMO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220915972 780258684 /nfs/dbraw/zinc/25/86/84/780258684.db2.gz WMJQHCZVMAITQP-YUTCNCBUSA-N 1 1 321.377 -1.042 20 0 DAADMO C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220915972 780258690 /nfs/dbraw/zinc/25/86/90/780258690.db2.gz WMJQHCZVMAITQP-YUTCNCBUSA-N 1 1 321.377 -1.042 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220921450 780258704 /nfs/dbraw/zinc/25/87/04/780258704.db2.gz HUSCAWPPFYEFCX-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220921450 780258716 /nfs/dbraw/zinc/25/87/16/780258716.db2.gz HUSCAWPPFYEFCX-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 ZINC001220905715 780259278 /nfs/dbraw/zinc/25/92/78/780259278.db2.gz WBIJHTJVMRZAMJ-MXWKQRLJSA-N 1 1 311.338 -1.449 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934139 780260906 /nfs/dbraw/zinc/26/09/06/780260906.db2.gz ULIFHDVHMUQNTG-AXFHLTTASA-N 1 1 312.370 -1.208 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935680 780261259 /nfs/dbraw/zinc/26/12/59/780261259.db2.gz QPPLXIAYNWUIJJ-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936873 780262852 /nfs/dbraw/zinc/26/28/52/780262852.db2.gz JRBLTEDRWFAWHF-MNOVXSKESA-N 1 1 304.416 -1.365 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)no1 ZINC001220973942 780263960 /nfs/dbraw/zinc/26/39/60/780263960.db2.gz HRLIUFCKZHAVCZ-ZJUUUORDSA-N 1 1 312.326 -1.535 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)no1 ZINC001220973942 780263964 /nfs/dbraw/zinc/26/39/64/780263964.db2.gz HRLIUFCKZHAVCZ-ZJUUUORDSA-N 1 1 312.326 -1.535 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976236 780264065 /nfs/dbraw/zinc/26/40/65/780264065.db2.gz PKHAVYJMIKLRAF-XQQFMLRXSA-N 1 1 312.414 -1.422 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]2O)C1 ZINC001220976201 780265130 /nfs/dbraw/zinc/26/51/30/780265130.db2.gz OHJGGQHMPYEKNA-MJBXVCDLSA-N 1 1 324.425 -1.374 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001220959385 780265342 /nfs/dbraw/zinc/26/53/42/780265342.db2.gz COSHWCRJNWKQJL-AXFHLTTASA-N 1 1 301.387 -1.309 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)no1 ZINC001220973592 780265354 /nfs/dbraw/zinc/26/53/54/780265354.db2.gz PQKNCDPPYSYJBS-SFGNSQDASA-N 1 1 312.326 -1.536 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)no1 ZINC001220973592 780265355 /nfs/dbraw/zinc/26/53/55/780265355.db2.gz PQKNCDPPYSYJBS-SFGNSQDASA-N 1 1 312.326 -1.536 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](O)C1 ZINC001220987757 780266029 /nfs/dbraw/zinc/26/60/29/780266029.db2.gz SSNWDRQOEUXDTR-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220983414 780266464 /nfs/dbraw/zinc/26/64/64/780266464.db2.gz MLIYWKIAQBZJHG-HONMWMINSA-N 1 1 324.381 -1.179 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001220983414 780266465 /nfs/dbraw/zinc/26/64/65/780266465.db2.gz MLIYWKIAQBZJHG-HONMWMINSA-N 1 1 324.381 -1.179 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986776 780267610 /nfs/dbraw/zinc/26/76/10/780267610.db2.gz ASKFZLCIOLZIRX-MXWKQRLJSA-N 1 1 321.399 -2.124 20 0 DAADMO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221007898 780268488 /nfs/dbraw/zinc/26/84/88/780268488.db2.gz UPFGRNMJUYWZKE-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](O)C1 ZINC001220999476 780268795 /nfs/dbraw/zinc/26/87/95/780268795.db2.gz CFJAHIMFGRWPKE-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](O)C1 ZINC001220999476 780268800 /nfs/dbraw/zinc/26/88/00/780268800.db2.gz CFJAHIMFGRWPKE-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001221058296 780270033 /nfs/dbraw/zinc/27/00/33/780270033.db2.gz NWCWUXAZTKMABK-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001221020442 780270431 /nfs/dbraw/zinc/27/04/31/780270431.db2.gz UYSMJVWDFAZWNI-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221060262 780270540 /nfs/dbraw/zinc/27/05/40/780270540.db2.gz RWKPPYPFDRWRCC-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001221058148 780270560 /nfs/dbraw/zinc/27/05/60/780270560.db2.gz HFFMTEGIWKULQO-MXWKQRLJSA-N 1 1 323.415 -2.190 20 0 DAADMO CCOCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221063646 780273192 /nfs/dbraw/zinc/27/31/92/780273192.db2.gz DDJXRTWXVNKNKT-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060771 780273301 /nfs/dbraw/zinc/27/33/01/780273301.db2.gz NDYCNGIEMMQSFX-CABZTGNLSA-N 1 1 312.345 -1.058 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001221060426 780273423 /nfs/dbraw/zinc/27/34/23/780273423.db2.gz ZEYQQYLKDGIKGL-MNOVXSKESA-N 1 1 307.416 -1.162 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001221075836 780273506 /nfs/dbraw/zinc/27/35/06/780273506.db2.gz UQROHTJCKDRCQP-ZJUUUORDSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001221075836 780273510 /nfs/dbraw/zinc/27/35/10/780273510.db2.gz UQROHTJCKDRCQP-ZJUUUORDSA-N 1 1 302.375 -1.498 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001221093646 780274491 /nfs/dbraw/zinc/27/44/91/780274491.db2.gz SFFMTLIJFPKEBG-UPJWGTAASA-N 1 1 312.414 -1.234 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091229 780275185 /nfs/dbraw/zinc/27/51/85/780275185.db2.gz GRDIQOJTGWANTP-AGIUHOORSA-N 1 1 312.414 -1.281 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001221093723 780275581 /nfs/dbraw/zinc/27/55/81/780275581.db2.gz VFOJBIFNOIJUBG-NEPJUHHUSA-N 1 1 310.402 -1.183 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001221091230 780275746 /nfs/dbraw/zinc/27/57/46/780275746.db2.gz GRDIQOJTGWANTP-UPJWGTAASA-N 1 1 312.414 -1.281 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093431 780276361 /nfs/dbraw/zinc/27/63/61/780276361.db2.gz MPPOLNAUKXGASC-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001221099138 780276583 /nfs/dbraw/zinc/27/65/83/780276583.db2.gz BORPTNAMQUJHIY-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001221149824 780277197 /nfs/dbraw/zinc/27/71/97/780277197.db2.gz GWXMOUMURSLBRR-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO CN(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cccnc1 ZINC001221105573 780278422 /nfs/dbraw/zinc/27/84/22/780278422.db2.gz QEIHQCFALJYBGQ-HZSPNIEDSA-N 1 1 308.382 -1.162 20 0 DAADMO CN(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccnc1 ZINC001221105573 780278431 /nfs/dbraw/zinc/27/84/31/780278431.db2.gz QEIHQCFALJYBGQ-HZSPNIEDSA-N 1 1 308.382 -1.162 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221166097 780279668 /nfs/dbraw/zinc/27/96/68/780279668.db2.gz JLQUQLPXCRKJBR-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001221171244 780279962 /nfs/dbraw/zinc/27/99/62/780279962.db2.gz MPMYYSWYAUFNDO-MNOVXSKESA-N 1 1 310.358 -1.905 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001221171244 780279967 /nfs/dbraw/zinc/27/99/67/780279967.db2.gz MPMYYSWYAUFNDO-MNOVXSKESA-N 1 1 310.358 -1.905 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001221164806 780281022 /nfs/dbraw/zinc/28/10/22/780281022.db2.gz SBONLHDXEKTBML-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)nn1 ZINC001221189841 780282052 /nfs/dbraw/zinc/28/20/52/780282052.db2.gz NEPURBOOAMFQEC-BNOWGMLFSA-N 1 1 323.397 -1.055 20 0 DAADMO C[C@]1(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCC(=O)N1 ZINC001221200714 780283472 /nfs/dbraw/zinc/28/34/72/780283472.db2.gz UOIJJXMVDFBTIF-XUJVJEKNSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221195243 780283753 /nfs/dbraw/zinc/28/37/53/780283753.db2.gz QJXNTAWBATVQNO-UTUOFQBUSA-N 1 1 301.387 -1.322 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221199996 780283843 /nfs/dbraw/zinc/28/38/43/780283843.db2.gz FWMSQLGLJNIQDF-MXWKQRLJSA-N 1 1 313.354 -1.763 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221231964 780284622 /nfs/dbraw/zinc/28/46/22/780284622.db2.gz FPABJWJWDYSVJF-CHWSQXEVSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221231964 780284630 /nfs/dbraw/zinc/28/46/30/780284630.db2.gz FPABJWJWDYSVJF-CHWSQXEVSA-N 1 1 308.382 -1.113 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221259396 780285576 /nfs/dbraw/zinc/28/55/76/780285576.db2.gz BZGCRJPUGRQGIO-OUAUKWLOSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221259396 780285581 /nfs/dbraw/zinc/28/55/81/780285581.db2.gz BZGCRJPUGRQGIO-OUAUKWLOSA-N 1 1 309.370 -1.534 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221253033 780285721 /nfs/dbraw/zinc/28/57/21/780285721.db2.gz HXAKUQRPCWYNLX-VXGBXAGGSA-N 1 1 310.358 -1.785 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250333 780285861 /nfs/dbraw/zinc/28/58/61/780285861.db2.gz FVOWKQSYCYSWHV-ITDIGPHOSA-N 1 1 312.414 -1.151 20 0 DAADMO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001221257037 780285979 /nfs/dbraw/zinc/28/59/79/780285979.db2.gz VTABCQFJXXFXIQ-USWWRNFRSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221259618 780286259 /nfs/dbraw/zinc/28/62/59/780286259.db2.gz MUPFDSBVIZGQFZ-GHMZBOCLSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221259618 780286267 /nfs/dbraw/zinc/28/62/67/780286267.db2.gz MUPFDSBVIZGQFZ-GHMZBOCLSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221259490 780286823 /nfs/dbraw/zinc/28/68/23/780286823.db2.gz HGHUHBNZQNAQID-GHMZBOCLSA-N 1 1 300.359 -1.804 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3N2)[C@@H]2NCN[C@@H]21 ZINC001221265642 780287650 /nfs/dbraw/zinc/28/76/50/780287650.db2.gz NYTBDRSPTNVYJE-DGAVXFQQSA-N 1 1 302.382 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264391 780287871 /nfs/dbraw/zinc/28/78/71/780287871.db2.gz IXEQDDVKBFXSMR-GMTAPVOTSA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264391 780287879 /nfs/dbraw/zinc/28/78/79/780287879.db2.gz IXEQDDVKBFXSMR-GMTAPVOTSA-N 1 1 311.386 -1.336 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3N2)[C@H]2NCN[C@H]21 ZINC001221265644 780288091 /nfs/dbraw/zinc/28/80/91/780288091.db2.gz NYTBDRSPTNVYJE-IGQOVBAYSA-N 1 1 302.382 -1.068 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221322164 780290176 /nfs/dbraw/zinc/29/01/76/780290176.db2.gz QKHJRDQKBHWRFH-GMTAPVOTSA-N 1 1 310.354 -1.236 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221322164 780290184 /nfs/dbraw/zinc/29/01/84/780290184.db2.gz QKHJRDQKBHWRFH-GMTAPVOTSA-N 1 1 310.354 -1.236 20 0 DAADMO CN1C[C@H](C(=O)NC2=CC(=O)NCC2)OC2(CC[NH2+]CC2)C1 ZINC001221316911 780290547 /nfs/dbraw/zinc/29/05/47/780290547.db2.gz NVMPFKWRDCSAIT-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221316658 780291118 /nfs/dbraw/zinc/29/11/18/780291118.db2.gz QVDWXMWQUXJOLE-JHJVBQTASA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221316658 780291127 /nfs/dbraw/zinc/29/11/27/780291127.db2.gz QVDWXMWQUXJOLE-JHJVBQTASA-N 1 1 320.393 -1.066 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398480 780291831 /nfs/dbraw/zinc/29/18/31/780291831.db2.gz AEFVQGNOJRLVDH-BPNCWPANSA-N 1 1 320.393 -1.359 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221404902 780292705 /nfs/dbraw/zinc/29/27/05/780292705.db2.gz MFIQQMMTRXIWQO-UWVGGRQHSA-N 1 1 302.375 -2.616 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 ZINC001221444698 780293823 /nfs/dbraw/zinc/29/38/23/780293823.db2.gz KKVCTNRNMCQSOH-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458907 780294598 /nfs/dbraw/zinc/29/45/98/780294598.db2.gz YPXPHMIDDFYUTL-IWSPIJDZSA-N 1 1 311.342 -2.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221458907 780294603 /nfs/dbraw/zinc/29/46/03/780294603.db2.gz YPXPHMIDDFYUTL-IWSPIJDZSA-N 1 1 311.342 -2.022 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221503418 780294713 /nfs/dbraw/zinc/29/47/13/780294713.db2.gz PWTPQHBHUNJWGS-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221503418 780294716 /nfs/dbraw/zinc/29/47/16/780294716.db2.gz PWTPQHBHUNJWGS-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001221519369 780295974 /nfs/dbraw/zinc/29/59/74/780295974.db2.gz MRCZLQLIQZQHQP-NQBHXWOUSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221524814 780296428 /nfs/dbraw/zinc/29/64/28/780296428.db2.gz DQVOZGPHDZCKKI-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221524814 780296430 /nfs/dbraw/zinc/29/64/30/780296430.db2.gz DQVOZGPHDZCKKI-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221524823 780297040 /nfs/dbraw/zinc/29/70/40/780297040.db2.gz FBXSRRSWQHTIMW-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221524823 780297043 /nfs/dbraw/zinc/29/70/43/780297043.db2.gz FBXSRRSWQHTIMW-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221547476 780297500 /nfs/dbraw/zinc/29/75/00/780297500.db2.gz PDCNKVXWMOYGIE-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508329 780297686 /nfs/dbraw/zinc/29/76/86/780297686.db2.gz QKRNLYGUKIYYAQ-IRCOFANPSA-N 1 1 314.386 -1.417 20 0 DAADMO CCC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001221712994 780298307 /nfs/dbraw/zinc/29/83/07/780298307.db2.gz VHIGFBBJTGEMMZ-IJLUTSLNSA-N 1 1 319.427 -1.031 20 0 DAADMO CCC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001221712994 780298309 /nfs/dbraw/zinc/29/83/09/780298309.db2.gz VHIGFBBJTGEMMZ-IJLUTSLNSA-N 1 1 319.427 -1.031 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221654491 780298324 /nfs/dbraw/zinc/29/83/24/780298324.db2.gz MHUAUIFLHHZNLX-VXGBXAGGSA-N 1 1 314.361 -1.259 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221654491 780298326 /nfs/dbraw/zinc/29/83/26/780298326.db2.gz MHUAUIFLHHZNLX-VXGBXAGGSA-N 1 1 314.361 -1.259 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001221740694 780300853 /nfs/dbraw/zinc/30/08/53/780300853.db2.gz GAKLLALHKYBVLV-OUAUKWLOSA-N 1 1 310.358 -1.636 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221833918 780303510 /nfs/dbraw/zinc/30/35/10/780303510.db2.gz BAVYEBQHWGZVSN-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001222003681 780304887 /nfs/dbraw/zinc/30/48/87/780304887.db2.gz CVICYHZBKBHCRL-VXGBXAGGSA-N 1 1 314.386 -1.414 20 0 DAADMO Cn1ncnc1COCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221909123 780305338 /nfs/dbraw/zinc/30/53/38/780305338.db2.gz YSIAPGHXYRPVJV-VXGBXAGGSA-N 1 1 309.370 -1.143 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221889952 780305370 /nfs/dbraw/zinc/30/53/70/780305370.db2.gz WGMJRYTUFAVFKY-CHWSQXEVSA-N 1 1 324.385 -1.395 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001221889444 780306113 /nfs/dbraw/zinc/30/61/13/780306113.db2.gz DAGGKSBCIMZGOX-JHJVBQTASA-N 1 1 324.385 -1.397 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001222000710 780306204 /nfs/dbraw/zinc/30/62/04/780306204.db2.gz UNLGPVHZYKFMAF-FRRDWIJNSA-N 1 1 309.370 -1.182 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001222003998 780306626 /nfs/dbraw/zinc/30/66/26/780306626.db2.gz SWDZJEKTIFDTBC-GRYCIOLGSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001222003998 780306629 /nfs/dbraw/zinc/30/66/29/780306629.db2.gz SWDZJEKTIFDTBC-GRYCIOLGSA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003707 780307110 /nfs/dbraw/zinc/30/71/10/780307110.db2.gz DQSHVJXFGWLDKO-GRYCIOLGSA-N 1 1 314.386 -1.415 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)COC)CC1 ZINC001222194363 780308898 /nfs/dbraw/zinc/30/88/98/780308898.db2.gz ITOVMMZPJUYWOX-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001222252042 780309345 /nfs/dbraw/zinc/30/93/45/780309345.db2.gz WYYYLWPJXXXUMC-PWSUYJOCSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222251700 780309495 /nfs/dbraw/zinc/30/94/95/780309495.db2.gz FZXSJFDUCPZKCT-NEPJUHHUSA-N 1 1 314.386 -1.414 20 0 DAADMO COC(=O)C[C@H](OCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC001222536882 780311629 /nfs/dbraw/zinc/31/16/29/780311629.db2.gz IQBKQTQMYCGYCV-JTQLQIEISA-N 1 1 302.327 -1.118 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001222809517 780313604 /nfs/dbraw/zinc/31/36/04/780313604.db2.gz FPRXIYYLALVSDZ-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001276874163 780314718 /nfs/dbraw/zinc/31/47/18/780314718.db2.gz BDZOESBKKYJPPJ-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001276874163 780314728 /nfs/dbraw/zinc/31/47/28/780314728.db2.gz BDZOESBKKYJPPJ-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001276868931 780315038 /nfs/dbraw/zinc/31/50/38/780315038.db2.gz DBIROHQVCCMULO-UHFFFAOYSA-N 1 1 318.324 -1.223 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001276868931 780315041 /nfs/dbraw/zinc/31/50/41/780315041.db2.gz DBIROHQVCCMULO-UHFFFAOYSA-N 1 1 318.324 -1.223 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001276867900 780315053 /nfs/dbraw/zinc/31/50/53/780315053.db2.gz VQZGXYNRQVRABI-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001276867900 780315057 /nfs/dbraw/zinc/31/50/57/780315057.db2.gz VQZGXYNRQVRABI-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001276875142 780316066 /nfs/dbraw/zinc/31/60/66/780316066.db2.gz JZHATBGNTMMQDK-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001276875142 780316070 /nfs/dbraw/zinc/31/60/70/780316070.db2.gz JZHATBGNTMMQDK-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO C[C@@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@@H]1C[N@H+](C)CCO1 ZINC001223654494 780317322 /nfs/dbraw/zinc/31/73/22/780317322.db2.gz IZCHWOHZFKIFLH-BDAKNGLRSA-N 1 1 311.342 -1.691 20 0 DAADMO C[C@@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001223654494 780317328 /nfs/dbraw/zinc/31/73/28/780317328.db2.gz IZCHWOHZFKIFLH-BDAKNGLRSA-N 1 1 311.342 -1.691 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001223717158 780317354 /nfs/dbraw/zinc/31/73/54/780317354.db2.gz XWEAQAVUFJSHOM-SCZZXKLOSA-N 1 1 322.325 -1.199 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001223717158 780317361 /nfs/dbraw/zinc/31/73/61/780317361.db2.gz XWEAQAVUFJSHOM-SCZZXKLOSA-N 1 1 322.325 -1.199 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001224028480 780319211 /nfs/dbraw/zinc/31/92/11/780319211.db2.gz ZKBKUEVXONYKKW-NEPJUHHUSA-N 1 1 319.427 -1.207 20 0 DAADMO C[NH+](C)CCC(=O)NCC1CCN(CC(=O)NC(N)=O)CC1 ZINC001224337377 780321029 /nfs/dbraw/zinc/32/10/29/780321029.db2.gz JJAOAFZHHYWRRE-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O)c1nnnn1C ZINC001224732167 780322865 /nfs/dbraw/zinc/32/28/65/780322865.db2.gz GDDWLNKQEQAMLM-IVZWLZJFSA-N 1 1 324.389 -1.044 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001224893789 780324411 /nfs/dbraw/zinc/32/44/11/780324411.db2.gz AUQURCBGVRVJIA-QMMMGPOBSA-N 1 1 323.357 -1.170 20 0 DAADMO CC(=O)NCC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001225855884 780329171 /nfs/dbraw/zinc/32/91/71/780329171.db2.gz YTTJNGZZJTVVQJ-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001225855883 780329264 /nfs/dbraw/zinc/32/92/64/780329264.db2.gz YTTJNGZZJTVVQJ-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cc[n+]([O-])cc2)CC1 ZINC001225897800 780329307 /nfs/dbraw/zinc/32/93/07/780329307.db2.gz WUEUZFJVXOFGMP-UHFFFAOYSA-N 1 1 321.337 -1.291 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226002479 780330663 /nfs/dbraw/zinc/33/06/63/780330663.db2.gz OVZONMRWMLDNFJ-SSDOTTSWSA-N 1 1 314.346 -2.181 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226010674 780330907 /nfs/dbraw/zinc/33/09/07/780330907.db2.gz PLESYJUFEVAZGA-UHFFFAOYSA-N 1 1 314.346 -2.309 20 0 DAADMO O=C(CNC(=O)C1CC1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001226252284 780332789 /nfs/dbraw/zinc/33/27/89/780332789.db2.gz DZWGUDNBHHFLCC-LBPRGKRZSA-N 1 1 308.382 -1.018 20 0 DAADMO Cc1c(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)nnn1C ZINC001226709161 780335341 /nfs/dbraw/zinc/33/53/41/780335341.db2.gz UYGDRKCEXFFIQV-UHFFFAOYSA-N 1 1 323.357 -1.487 20 0 DAADMO CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226699580 780335432 /nfs/dbraw/zinc/33/54/32/780335432.db2.gz RJYGBFUQYUEXJM-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001227049598 780338700 /nfs/dbraw/zinc/33/87/00/780338700.db2.gz GGYJKYUKEGUQSZ-VIFPVBQESA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCCC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001227224454 780338793 /nfs/dbraw/zinc/33/87/93/780338793.db2.gz DTOVQYKSFMLQCR-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC001227182620 780338865 /nfs/dbraw/zinc/33/88/65/780338865.db2.gz BADKCCLYFLOLMN-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)CCn2ccnn2)CC1 ZINC001227069631 780339603 /nfs/dbraw/zinc/33/96/03/780339603.db2.gz WRTCQXXXQXWQRK-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227399009 780340648 /nfs/dbraw/zinc/34/06/48/780340648.db2.gz HWZPFUQINFLOAM-MRVPVSSYSA-N 1 1 324.345 -2.163 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001227645551 780342753 /nfs/dbraw/zinc/34/27/53/780342753.db2.gz SOTDZJIVNNNSJY-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)N(C)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227653643 780342766 /nfs/dbraw/zinc/34/27/66/780342766.db2.gz NPESBYSQEVNDCF-JTQLQIEISA-N 1 1 314.386 -1.454 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227637820 780342972 /nfs/dbraw/zinc/34/29/72/780342972.db2.gz SUGXSADNMOQNQI-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO COCC(=O)NCCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227662116 780343151 /nfs/dbraw/zinc/34/31/51/780343151.db2.gz ULPPETKMBVYYLO-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCN1C(=O)CCC1=O ZINC001227977945 780344038 /nfs/dbraw/zinc/34/40/38/780344038.db2.gz OMSLICYXOXTYCG-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCN1C(=O)CCC1=O ZINC001227977945 780344041 /nfs/dbraw/zinc/34/40/41/780344041.db2.gz OMSLICYXOXTYCG-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227909044 780344581 /nfs/dbraw/zinc/34/45/81/780344581.db2.gz XPVULTSRPZINHO-UHFFFAOYSA-N 1 1 313.358 -1.727 20 0 DAADMO C[C@@H](CCC[NH2+]Cc1cnon1)NC(=O)CN1CCNC(=O)C1 ZINC001277265282 780346019 /nfs/dbraw/zinc/34/60/19/780346019.db2.gz XJEMXLDVUPAURR-NSHDSACASA-N 1 1 324.385 -1.124 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001228089674 780346182 /nfs/dbraw/zinc/34/61/82/780346182.db2.gz UOPSWCJYRHUIHG-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448590 780347673 /nfs/dbraw/zinc/34/76/73/780347673.db2.gz MCVOBOYGAKETOJ-JTQLQIEISA-N 1 1 324.385 -1.574 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001277302986 780349071 /nfs/dbraw/zinc/34/90/71/780349071.db2.gz FOMUKCZBFSSHBK-UEKVPHQBSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001228800774 780351008 /nfs/dbraw/zinc/35/10/08/780351008.db2.gz FFRCXZVFYBTZDS-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCCS(N)(=O)=O)CC1 ZINC001228934879 780353025 /nfs/dbraw/zinc/35/30/25/780353025.db2.gz GXMDYCACIXQOKY-SECBINFHSA-N 1 1 320.415 -1.491 20 0 DAADMO CN(C)C(=O)CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229516140 780355927 /nfs/dbraw/zinc/35/59/27/780355927.db2.gz FJBISYYULCNSCL-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)C1(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001229601779 780356073 /nfs/dbraw/zinc/35/60/73/780356073.db2.gz WGIAYHZKPHADHW-NSHDSACASA-N 1 1 308.382 -1.018 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](CCF)CC1)C(N)=O ZINC001229493298 780356501 /nfs/dbraw/zinc/35/65/01/780356501.db2.gz DFCVJDKNRPTHGG-NSHDSACASA-N 1 1 302.350 -1.083 20 0 DAADMO Cn1ncc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001229593102 780357166 /nfs/dbraw/zinc/35/71/66/780357166.db2.gz SWHQJAPALFKYTJ-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)F)CC1 ZINC001229763226 780357727 /nfs/dbraw/zinc/35/77/27/780357727.db2.gz QJTKXYQOBSEXQT-UHFFFAOYSA-N 1 1 310.276 -1.269 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001229686634 780357793 /nfs/dbraw/zinc/35/77/93/780357793.db2.gz WEEXYCPSDCQGEQ-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO O=C(CCn1cnnn1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001229741174 780358138 /nfs/dbraw/zinc/35/81/38/780358138.db2.gz VWWAGGPSARXHCW-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001229740523 780358211 /nfs/dbraw/zinc/35/82/11/780358211.db2.gz LRBILRKUSDUYRF-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC001229610708 780358248 /nfs/dbraw/zinc/35/82/48/780358248.db2.gz SZUYLXAGKDHJKN-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO COCC[N@@H+](CCn1cncn1)C1CCN(C(=O)C(N)=O)CC1 ZINC001277404496 780358546 /nfs/dbraw/zinc/35/85/46/780358546.db2.gz CCLWAUHYAZHIBE-UHFFFAOYSA-N 1 1 324.385 -1.297 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001229685930 780359009 /nfs/dbraw/zinc/35/90/09/780359009.db2.gz MKSTXNGWIZLIDO-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC001229610706 780359048 /nfs/dbraw/zinc/35/90/48/780359048.db2.gz SZUYLXAGKDHJKN-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO Cn1ncnc1COCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229859050 780360531 /nfs/dbraw/zinc/36/05/31/780360531.db2.gz ZRTRGOOEQUNWHA-UHFFFAOYSA-N 1 1 310.358 -1.602 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCn2cnccc2=O)CC1 ZINC001229817509 780360773 /nfs/dbraw/zinc/36/07/73/780360773.db2.gz RLJRSDOIOUPSGR-UHFFFAOYSA-N 1 1 321.381 -1.040 20 0 DAADMO CNC(=O)NC(=O)CN1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001229984885 780360934 /nfs/dbraw/zinc/36/09/34/780360934.db2.gz DVBHMQMVZMNOFH-UHFFFAOYSA-N 1 1 323.357 -1.617 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229977231 780361150 /nfs/dbraw/zinc/36/11/50/780361150.db2.gz PYBHNYQPTFBMGR-UHFFFAOYSA-N 1 1 309.330 -1.877 20 0 DAADMO CCn1cc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)nn1 ZINC001229795119 780361341 /nfs/dbraw/zinc/36/13/41/780361341.db2.gz CNJBBNJUEWJWQL-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001230284908 780361520 /nfs/dbraw/zinc/36/15/20/780361520.db2.gz CVRMNTVXUYDUJD-QMMMGPOBSA-N 1 1 306.388 -2.010 20 0 DAADMO NC(=O)NCCC(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001230217222 780362075 /nfs/dbraw/zinc/36/20/75/780362075.db2.gz LMLLWWNIJIZAMB-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230190309 780362331 /nfs/dbraw/zinc/36/23/31/780362331.db2.gz UYHWEYCSWFMFDA-UHFFFAOYSA-N 1 1 309.330 -1.946 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230334146 780363538 /nfs/dbraw/zinc/36/35/38/780363538.db2.gz IXUOBEGYRPJVQH-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)CNC(N)=O ZINC001230697717 780369349 /nfs/dbraw/zinc/36/93/49/780369349.db2.gz LJUAUEHDJFMDGX-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)CNC(N)=O ZINC001230697717 780369357 /nfs/dbraw/zinc/36/93/57/780369357.db2.gz LJUAUEHDJFMDGX-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001230645919 780369605 /nfs/dbraw/zinc/36/96/05/780369605.db2.gz BRSHWSWBHWZEPP-KBPBESRZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277461816 780369677 /nfs/dbraw/zinc/36/96/77/780369677.db2.gz BEQAOESVYRHQQP-QWRGUYRKSA-N 1 1 316.427 -1.065 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001230645921 780369958 /nfs/dbraw/zinc/36/99/58/780369958.db2.gz BRSHWSWBHWZEPP-UONOGXRCSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750260 780374586 /nfs/dbraw/zinc/37/45/86/780374586.db2.gz ULAWDDDSMKZLTP-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750260 780374591 /nfs/dbraw/zinc/37/45/91/780374591.db2.gz ULAWDDDSMKZLTP-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835485 780375119 /nfs/dbraw/zinc/37/51/19/780375119.db2.gz IDYHRMCKOWMYSU-SNVBAGLBSA-N 1 1 307.354 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835485 780375126 /nfs/dbraw/zinc/37/51/26/780375126.db2.gz IDYHRMCKOWMYSU-SNVBAGLBSA-N 1 1 307.354 -1.251 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCOCCO ZINC001230916666 780375776 /nfs/dbraw/zinc/37/57/76/780375776.db2.gz PWLVYHBNSGABPR-LLVKDONJSA-N 1 1 303.359 -1.116 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)c1ccc(=O)[nH]n1 ZINC001277469991 780375928 /nfs/dbraw/zinc/37/59/28/780375928.db2.gz WWAPWLXDISSHSQ-SECBINFHSA-N 1 1 311.342 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001277475683 780376809 /nfs/dbraw/zinc/37/68/09/780376809.db2.gz AKKXMKWZOKWTRF-GHMZBOCLSA-N 1 1 303.359 -1.660 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001230960985 780377570 /nfs/dbraw/zinc/37/75/70/780377570.db2.gz YBKQKEKHIHFIKK-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)OC ZINC001230917596 780377854 /nfs/dbraw/zinc/37/78/54/780377854.db2.gz WUPGGKBVAHLALB-WDEREUQCSA-N 1 1 303.359 -1.118 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001277476101 780378163 /nfs/dbraw/zinc/37/81/63/780378163.db2.gz MNKDMALAXXRWNH-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@H]1CCc2cncn2C1)CC(N)=O ZINC001277501288 780379456 /nfs/dbraw/zinc/37/94/56/780379456.db2.gz OMPYJYXOFTULJK-LBPRGKRZSA-N 1 1 323.397 -1.005 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1CCc2cncn2C1)CC(N)=O ZINC001277501288 780379466 /nfs/dbraw/zinc/37/94/66/780379466.db2.gz OMPYJYXOFTULJK-LBPRGKRZSA-N 1 1 323.397 -1.005 20 0 DAADMO Cn1nncc1C(=O)NCCOCC[N@H+](C)CC(=O)N1CCC1 ZINC001277487041 780379566 /nfs/dbraw/zinc/37/95/66/780379566.db2.gz ICTMBVLLFCOXJB-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO Cn1nncc1C(=O)NCCOCC[N@@H+](C)CC(=O)N1CCC1 ZINC001277487041 780379569 /nfs/dbraw/zinc/37/95/69/780379569.db2.gz ICTMBVLLFCOXJB-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001277508139 780380835 /nfs/dbraw/zinc/38/08/35/780380835.db2.gz UEFGYDVUDUWUBO-GFCCVEGCSA-N 1 1 301.387 -1.040 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)C(=O)CC(N)=O ZINC001231359254 780380728 /nfs/dbraw/zinc/38/07/28/780380728.db2.gz LGASBICUXGRYGT-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)C(=O)CC(N)=O ZINC001231359254 780380734 /nfs/dbraw/zinc/38/07/34/780380734.db2.gz LGASBICUXGRYGT-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCNC1=O ZINC001277515479 780382776 /nfs/dbraw/zinc/38/27/76/780382776.db2.gz YAHAIWWSOFCCDK-SNVBAGLBSA-N 1 1 300.359 -2.067 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCNC1=O ZINC001277515479 780382779 /nfs/dbraw/zinc/38/27/79/780382779.db2.gz YAHAIWWSOFCCDK-SNVBAGLBSA-N 1 1 300.359 -2.067 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCOCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001277529133 780382872 /nfs/dbraw/zinc/38/28/72/780382872.db2.gz VSXFKLJDGUNTSR-SNVBAGLBSA-N 1 1 315.370 -1.515 20 0 DAADMO Cn1cc(C[N@@H+](C)CCN2CCN(C)CC2)c(=O)n(C)c1=O ZINC001231770041 780383362 /nfs/dbraw/zinc/38/33/62/780383362.db2.gz CBOXVWAPPJQSTL-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO Cn1cc(C[N@H+](C)CCN2CCN(C)CC2)c(=O)n(C)c1=O ZINC001231770041 780383373 /nfs/dbraw/zinc/38/33/73/780383373.db2.gz CBOXVWAPPJQSTL-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCOC1 ZINC001277521043 780383396 /nfs/dbraw/zinc/38/33/96/780383396.db2.gz QWLNVWORYQWGGY-RYUDHWBXSA-N 1 1 314.386 -1.231 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCOC1 ZINC001277521042 780383746 /nfs/dbraw/zinc/38/37/46/780383746.db2.gz QWLNVWORYQWGGY-NWDGAFQWSA-N 1 1 314.386 -1.231 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC001277525820 780384002 /nfs/dbraw/zinc/38/40/02/780384002.db2.gz WZHSQECHFGDDED-MCIONIFRSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H]21 ZINC001277525820 780384008 /nfs/dbraw/zinc/38/40/08/780384008.db2.gz WZHSQECHFGDDED-MCIONIFRSA-N 1 1 313.398 -1.125 20 0 DAADMO Cn1cc(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770628 780384657 /nfs/dbraw/zinc/38/46/57/780384657.db2.gz PNESRVSMUQIIBE-NSHDSACASA-N 1 1 308.338 -1.873 20 0 DAADMO Cn1cc(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770628 780384664 /nfs/dbraw/zinc/38/46/64/780384664.db2.gz PNESRVSMUQIIBE-NSHDSACASA-N 1 1 308.338 -1.873 20 0 DAADMO COC(=O)CO[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771360 780385177 /nfs/dbraw/zinc/38/51/77/780385177.db2.gz NSTXEVKVOVBGCR-NSHDSACASA-N 1 1 311.338 -1.152 20 0 DAADMO CNC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771514 780386184 /nfs/dbraw/zinc/38/61/84/780386184.db2.gz WBCIVOMWVNBLQA-NSHDSACASA-N 1 1 309.370 -1.023 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CC(N)=O)c1nnnn1C ZINC001277630186 780386627 /nfs/dbraw/zinc/38/66/27/780386627.db2.gz VNYOXOFZPKCGKR-PSASIEDQSA-N 1 1 309.374 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)NC(C)=O ZINC001233581741 780390731 /nfs/dbraw/zinc/39/07/31/780390731.db2.gz ZHWOJDNWXAPWAO-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001233590307 780391326 /nfs/dbraw/zinc/39/13/26/780391326.db2.gz VRSGKZBMEPNMBH-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001233580074 780391469 /nfs/dbraw/zinc/39/14/69/780391469.db2.gz MEOUXZFGYYZRMW-GXSJLCMTSA-N 1 1 312.370 -1.246 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)C[C@H]1CCc2ncnn21 ZINC001233750077 780392034 /nfs/dbraw/zinc/39/20/34/780392034.db2.gz GWQYHSXKCSFYDQ-LLVKDONJSA-N 1 1 319.373 -1.110 20 0 DAADMO CCS(=O)(=O)CCC[N@H+](C)CCCNC(=O)CNC(N)=O ZINC001233721414 780392060 /nfs/dbraw/zinc/39/20/60/780392060.db2.gz CYVIWZVDYVRJJS-UHFFFAOYSA-N 1 1 322.431 -1.082 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233721414 780392068 /nfs/dbraw/zinc/39/20/68/780392068.db2.gz CYVIWZVDYVRJJS-UHFFFAOYSA-N 1 1 322.431 -1.082 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CCN1CCNC1=O ZINC001233712505 780392753 /nfs/dbraw/zinc/39/27/53/780392753.db2.gz ACMICQGWYSASLM-UHFFFAOYSA-N 1 1 300.363 -1.882 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001233713011 780392809 /nfs/dbraw/zinc/39/28/09/780392809.db2.gz IQFAMXNNTCOUJM-SNVBAGLBSA-N 1 1 320.415 -1.473 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COCCN1C ZINC001233705512 780393159 /nfs/dbraw/zinc/39/31/59/780393159.db2.gz CXRPGPCVIYKNBO-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233712859 780393223 /nfs/dbraw/zinc/39/32/23/780393223.db2.gz DYVYFORSNRFCEL-NSHDSACASA-N 1 1 320.390 -1.883 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705426 780393580 /nfs/dbraw/zinc/39/35/80/780393580.db2.gz HWTOSKOSUDDTGL-UHFFFAOYSA-N 1 1 317.390 -1.755 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722504 780393630 /nfs/dbraw/zinc/39/36/30/780393630.db2.gz OCONMIMLYGWLIS-ZETCQYMHSA-N 1 1 302.335 -2.324 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705343 780393731 /nfs/dbraw/zinc/39/37/31/780393731.db2.gz HBHNWHTVQWMXCY-UHFFFAOYSA-N 1 1 302.335 -2.452 20 0 DAADMO C[C@H](C[N@@H+](C)CCCNC(=O)CNC(N)=O)CS(C)(=O)=O ZINC001233721412 780393790 /nfs/dbraw/zinc/39/37/90/780393790.db2.gz CXIOPCBKLWNNLP-SNVBAGLBSA-N 1 1 322.431 -1.227 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233751179 780393886 /nfs/dbraw/zinc/39/38/86/780393886.db2.gz PHFZYIAONYKSQS-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233722502 780394010 /nfs/dbraw/zinc/39/40/10/780394010.db2.gz OCONMIMLYGWLIS-SSDOTTSWSA-N 1 1 302.335 -2.324 20 0 DAADMO CN(C(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1)C1CC1 ZINC001233775121 780394322 /nfs/dbraw/zinc/39/43/22/780394322.db2.gz OOVZKZXUQNMSJI-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233753529 780394459 /nfs/dbraw/zinc/39/44/59/780394459.db2.gz ZMTNTNWGBQHWAB-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233783958 780395587 /nfs/dbraw/zinc/39/55/87/780395587.db2.gz KGWACIRMWUIGNI-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846346 780397990 /nfs/dbraw/zinc/39/79/90/780397990.db2.gz GBPHXAWIWISNNP-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846346 780397998 /nfs/dbraw/zinc/39/79/98/780397998.db2.gz GBPHXAWIWISNNP-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847796 780398084 /nfs/dbraw/zinc/39/80/84/780398084.db2.gz SLOSCEXZSCJYKX-WDEREUQCSA-N 1 1 313.358 -1.476 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001233857698 780399665 /nfs/dbraw/zinc/39/96/65/780399665.db2.gz TZKRJYNRZPXAHT-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCOCCO ZINC001233891949 780400470 /nfs/dbraw/zinc/40/04/70/780400470.db2.gz XXHBDYVYBACGFD-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO Cc1c(C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001233977952 780401503 /nfs/dbraw/zinc/40/15/03/780401503.db2.gz LVNYRCJIGWIBKB-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cncn1)[C@@H]1CCC(=O)NC1=O ZINC001234021175 780402414 /nfs/dbraw/zinc/40/24/14/780402414.db2.gz UYKAKZFWEJFPJC-LLVKDONJSA-N 1 1 322.369 -1.089 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1COCCO1)CCN1CCNC1=O ZINC001234234518 780404481 /nfs/dbraw/zinc/40/44/81/780404481.db2.gz KUPBBGYLXYYTTJ-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO C[N@H+](CCCNC(=O)c1ccn[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001234243057 780404743 /nfs/dbraw/zinc/40/47/43/780404743.db2.gz BGMMXSMQNWKESG-UHFFFAOYSA-N 1 1 322.369 -1.580 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ccn[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001234243057 780404746 /nfs/dbraw/zinc/40/47/46/780404746.db2.gz BGMMXSMQNWKESG-UHFFFAOYSA-N 1 1 322.369 -1.580 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)Cn1ncnn1 ZINC001234365062 780406406 /nfs/dbraw/zinc/40/64/06/780406406.db2.gz CICHUPHEEQIVHV-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)Cn1ncnn1 ZINC001234365062 780406410 /nfs/dbraw/zinc/40/64/10/780406410.db2.gz CICHUPHEEQIVHV-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377704 780407089 /nfs/dbraw/zinc/40/70/89/780407089.db2.gz HKICCMCLSPCGOM-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377704 780407092 /nfs/dbraw/zinc/40/70/92/780407092.db2.gz HKICCMCLSPCGOM-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)CNC(=O)C1CC1 ZINC001234391072 780408424 /nfs/dbraw/zinc/40/84/24/780408424.db2.gz WKYIQMUVKLTORQ-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413952 780408701 /nfs/dbraw/zinc/40/87/01/780408701.db2.gz LYLMQSVUUQPECU-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413379 780408784 /nfs/dbraw/zinc/40/87/84/780408784.db2.gz JJZBVZVQWOCQNJ-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234415740 780409062 /nfs/dbraw/zinc/40/90/62/780409062.db2.gz UXCXYRUSWCTCAS-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413273 780409416 /nfs/dbraw/zinc/40/94/16/780409416.db2.gz IDLJUTZSAZBKJK-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1nccn1 ZINC001234574535 780409992 /nfs/dbraw/zinc/40/99/92/780409992.db2.gz UCNQIRJLIXSWRE-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1nccn1 ZINC001234574535 780409998 /nfs/dbraw/zinc/40/99/98/780409998.db2.gz UCNQIRJLIXSWRE-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC001234923723 780411929 /nfs/dbraw/zinc/41/19/29/780411929.db2.gz NMIDQZDFNXZBSM-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001234975875 780412009 /nfs/dbraw/zinc/41/20/09/780412009.db2.gz RKQLUWHUUWRKEY-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO CC(=O)NCC[N@H+]1CC[C@H]2CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC001277912161 780412476 /nfs/dbraw/zinc/41/24/76/780412476.db2.gz XYUZMUIZWSNIDZ-NWDGAFQWSA-N 1 1 304.416 -1.065 20 0 DAADMO CC(=O)NCC[N@@H+]1CC[C@H]2CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC001277912161 780412481 /nfs/dbraw/zinc/41/24/81/780412481.db2.gz XYUZMUIZWSNIDZ-NWDGAFQWSA-N 1 1 304.416 -1.065 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235007779 780413283 /nfs/dbraw/zinc/41/32/83/780413283.db2.gz RHWQQSUDIRLYQS-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](O)COC ZINC001235051442 780414563 /nfs/dbraw/zinc/41/45/63/780414563.db2.gz KXCUQPJLUZXBCL-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@@H+](CC3(C)COC3)C[C@H]12 ZINC001277934628 780414849 /nfs/dbraw/zinc/41/48/49/780414849.db2.gz YAIFUIDDPSYXCP-WDEREUQCSA-N 1 1 324.381 -1.086 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001235055249 780414932 /nfs/dbraw/zinc/41/49/32/780414932.db2.gz ZOLXXLXNCSYMBN-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001235055249 780414937 /nfs/dbraw/zinc/41/49/37/780414937.db2.gz ZOLXXLXNCSYMBN-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CN1CCCS1(=O)=O ZINC001235092334 780414943 /nfs/dbraw/zinc/41/49/43/780414943.db2.gz UKGRKLYGECYAAN-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)COC ZINC001235051440 780414996 /nfs/dbraw/zinc/41/49/96/780414996.db2.gz KXCUQPJLUZXBCL-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001235050671 780415088 /nfs/dbraw/zinc/41/50/88/780415088.db2.gz GKMVGKNDAOJDQQ-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001235050671 780415090 /nfs/dbraw/zinc/41/50/90/780415090.db2.gz GKMVGKNDAOJDQQ-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001235050669 780415113 /nfs/dbraw/zinc/41/51/13/780415113.db2.gz GKMVGKNDAOJDQQ-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCn1cncn1 ZINC001235050669 780415114 /nfs/dbraw/zinc/41/51/14/780415114.db2.gz GKMVGKNDAOJDQQ-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCCS1(=O)=O ZINC001235051125 780415185 /nfs/dbraw/zinc/41/51/85/780415185.db2.gz KILPFSQKYDDOFU-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001235050246 780415313 /nfs/dbraw/zinc/41/53/13/780415313.db2.gz DLBHPJVLVPXVFZ-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001235050246 780415317 /nfs/dbraw/zinc/41/53/17/780415317.db2.gz DLBHPJVLVPXVFZ-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CN1CCCS1(=O)=O ZINC001235093280 780415373 /nfs/dbraw/zinc/41/53/73/780415373.db2.gz YDYRIMMPZXYVSW-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO CN(C[C@H]1CCN1CC(N)=O)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235304680 780416915 /nfs/dbraw/zinc/41/69/15/780416915.db2.gz UCZNFVJJSCJGBW-OLZOCXBDSA-N 1 1 322.413 -1.169 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1cnn(C)c1 ZINC001235490690 780417078 /nfs/dbraw/zinc/41/70/78/780417078.db2.gz CMUQVZYOXBLZQO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCN1 ZINC001235441488 780417093 /nfs/dbraw/zinc/41/70/93/780417093.db2.gz FJEONFVGXXXHMU-JPYZYGQNSA-N 1 1 316.354 -1.330 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCN1 ZINC001235441488 780417100 /nfs/dbraw/zinc/41/71/00/780417100.db2.gz FJEONFVGXXXHMU-JPYZYGQNSA-N 1 1 316.354 -1.330 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001277977984 780420366 /nfs/dbraw/zinc/42/03/66/780420366.db2.gz IYTSGDJMZRNSCW-WDEREUQCSA-N 1 1 305.338 -1.739 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@H]21 ZINC001277977984 780420369 /nfs/dbraw/zinc/42/03/69/780420369.db2.gz IYTSGDJMZRNSCW-WDEREUQCSA-N 1 1 305.338 -1.739 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CC(N)=O)CC3)[C@H]2C1 ZINC001277981906 780421010 /nfs/dbraw/zinc/42/10/10/780421010.db2.gz PWVNBPUFLGDECT-STQMWFEESA-N 1 1 323.441 -1.454 20 0 DAADMO C[C@H](CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ncnn1C ZINC001277994403 780421588 /nfs/dbraw/zinc/42/15/88/780421588.db2.gz NPGFEBQFOIFQCS-TUAOUCFPSA-N 1 1 309.370 -1.031 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C1CC=CC1)N1CCNC(=O)C1 ZINC001278060991 780425495 /nfs/dbraw/zinc/42/54/95/780425495.db2.gz HPIVGMJYJRNJJC-GFCCVEGCSA-N 1 1 324.381 -2.022 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCNC2=O)n1 ZINC001278099430 780426940 /nfs/dbraw/zinc/42/69/40/780426940.db2.gz KPRFZRDJPPXMGX-NWDGAFQWSA-N 1 1 309.370 -1.487 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278104998 780427351 /nfs/dbraw/zinc/42/73/51/780427351.db2.gz DHSQJUJZSUEBEH-SECBINFHSA-N 1 1 320.296 -1.069 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC2=O)nn1 ZINC001278127708 780429216 /nfs/dbraw/zinc/42/92/16/780429216.db2.gz CZTXOGJORNLUQD-GHMZBOCLSA-N 1 1 323.353 -1.812 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)C(=O)Nc1ccccc1 ZINC001278106362 780429620 /nfs/dbraw/zinc/42/96/20/780429620.db2.gz XNJXOEBSSGZZLY-NWDGAFQWSA-N 1 1 320.349 -1.420 20 0 DAADMO CN(C)C(=O)c1cccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)c1 ZINC001278148427 780431873 /nfs/dbraw/zinc/43/18/73/780431873.db2.gz VDKWYLBEIXXIIO-GFCCVEGCSA-N 1 1 322.365 -1.560 20 0 DAADMO CCc1ccccc1NC(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001278147262 780432221 /nfs/dbraw/zinc/43/22/21/780432221.db2.gz KPDIJHVCHFTNIK-NSHDSACASA-N 1 1 322.365 -1.261 20 0 DAADMO CCc1ccccc1NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001278147260 780432304 /nfs/dbraw/zinc/43/23/04/780432304.db2.gz KPDIJHVCHFTNIK-LLVKDONJSA-N 1 1 322.365 -1.261 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278154644 780432357 /nfs/dbraw/zinc/43/23/57/780432357.db2.gz GSOSVVVYPCERGA-YGRLFVJLSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278154643 780432436 /nfs/dbraw/zinc/43/24/36/780432436.db2.gz GSOSVVVYPCERGA-QMTHXVAHSA-N 1 1 309.370 -1.487 20 0 DAADMO O=S(=O)(NCc1nnc2n1CCCNC2)C1CC[NH2+]CC1 ZINC001238256448 780436714 /nfs/dbraw/zinc/43/67/14/780436714.db2.gz NYTYQFYWBDENAN-UHFFFAOYSA-N 1 1 314.415 -1.057 20 0 DAADMO O=C1NCCN(S(=O)(=O)CC2CC[NH2+]CC2)C12CNC2 ZINC001239029866 780441309 /nfs/dbraw/zinc/44/13/09/780441309.db2.gz CVTBTJUCTWHUIO-UHFFFAOYSA-N 1 1 302.400 -1.910 20 0 DAADMO CNC(=O)CN1CCCC12CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239076979 780442303 /nfs/dbraw/zinc/44/23/03/780442303.db2.gz VTPXWPXPRHRGFY-UHFFFAOYSA-N 1 1 318.443 -1.049 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CC[N@@H+](CCOCCO)C1 ZINC001278381407 780446132 /nfs/dbraw/zinc/44/61/32/780446132.db2.gz KJPBRYMBLTWAAX-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278420934 780446150 /nfs/dbraw/zinc/44/61/50/780446150.db2.gz QCKGIUUUXRPMDK-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278420934 780446184 /nfs/dbraw/zinc/44/61/84/780446184.db2.gz QCKGIUUUXRPMDK-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@]1(NC(=O)CC(N)=O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001278375130 780446827 /nfs/dbraw/zinc/44/68/27/780446827.db2.gz OGUJHJMYAHWTSO-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@]1(NC(=O)CC(N)=O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001278375130 780446834 /nfs/dbraw/zinc/44/68/34/780446834.db2.gz OGUJHJMYAHWTSO-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001278421553 780447864 /nfs/dbraw/zinc/44/78/64/780447864.db2.gz VVSACMLDBZNFNN-ZWNOBZJWSA-N 1 1 300.359 -1.743 20 0 DAADMO COC(=O)[C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039478 780448140 /nfs/dbraw/zinc/44/81/40/780448140.db2.gz MWWGFWOEGWJEHI-RYUDHWBXSA-N 1 1 301.387 -1.701 20 0 DAADMO COC(=O)[C@]1(N)CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056440 780449634 /nfs/dbraw/zinc/44/96/34/780449634.db2.gz VPGUEGDCPBYALS-FZMZJTMJSA-N 1 1 301.387 -1.572 20 0 DAADMO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3c(n2)CNCCC3)CN1 ZINC001246131994 780451340 /nfs/dbraw/zinc/45/13/40/780451340.db2.gz LSRVUMICKSEYRJ-CMPLNLGQSA-N 1 1 321.381 -1.270 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278437897 780452972 /nfs/dbraw/zinc/45/29/72/780452972.db2.gz KKOAZFUFQNZQQY-YMTOWFKASA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278437897 780452981 /nfs/dbraw/zinc/45/29/81/780452981.db2.gz KKOAZFUFQNZQQY-YMTOWFKASA-N 1 1 320.353 -1.267 20 0 DAADMO Cc1cn(CC(=O)NCCNC2CC[NH2+]CC2)c(=O)[nH]c1=O ZINC001246304186 780453297 /nfs/dbraw/zinc/45/32/97/780453297.db2.gz KKJBIXMDQJSWDT-UHFFFAOYSA-N 1 1 309.370 -1.285 20 0 DAADMO COC(=O)[C@@H](N)CC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246334701 780454012 /nfs/dbraw/zinc/45/40/12/780454012.db2.gz PBWNNFRQJBSADD-VWYCJHECSA-N 1 1 316.427 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001278444625 780454054 /nfs/dbraw/zinc/45/40/54/780454054.db2.gz ULOLHWWNAHUARB-CQSZACIVSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001278444625 780454057 /nfs/dbraw/zinc/45/40/57/780454057.db2.gz ULOLHWWNAHUARB-CQSZACIVSA-N 1 1 310.354 -1.538 20 0 DAADMO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@H]1C[NH2+]CCN1 ZINC001246491592 780454569 /nfs/dbraw/zinc/45/45/69/780454569.db2.gz UHSQVBJASOUIJV-VXGBXAGGSA-N 1 1 321.443 -1.106 20 0 DAADMO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@H]1C[NH2+]CCN1 ZINC001246491590 780454583 /nfs/dbraw/zinc/45/45/83/780454583.db2.gz UHSQVBJASOUIJV-NWDGAFQWSA-N 1 1 321.443 -1.106 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOC[C@@]3(CNCCO3)C2)CCN1 ZINC001246608500 780455412 /nfs/dbraw/zinc/45/54/12/780455412.db2.gz XILHVILFBMCBRB-VNHYZAJKSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CCOC[C@@]3(CNCCO3)C2)CCN1 ZINC001246608500 780455416 /nfs/dbraw/zinc/45/54/16/780455416.db2.gz XILHVILFBMCBRB-VNHYZAJKSA-N 1 1 313.398 -1.029 20 0 DAADMO C[C@H]1C[C@@H](NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1 ZINC001246524127 780455810 /nfs/dbraw/zinc/45/58/10/780455810.db2.gz JQGCUSBFJJYDNA-QCXNTBKTSA-N 1 1 304.387 -1.439 20 0 DAADMO COCCN1C[C@@H]2C[N@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1=O ZINC001246754434 780457086 /nfs/dbraw/zinc/45/70/86/780457086.db2.gz IRGXUZIPIRHIPD-NDBYEHHHSA-N 1 1 311.382 -1.074 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CCN(C(C)=O)C[C@@H]2C(=O)OC)C[NH2+]1 ZINC001246907329 780458664 /nfs/dbraw/zinc/45/86/64/780458664.db2.gz FHLAHRVPKRLBHQ-SDDRHHMPSA-N 1 1 313.354 -1.404 20 0 DAADMO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CN2C[C@H]1NCC2 ZINC001247013078 780460097 /nfs/dbraw/zinc/46/00/97/780460097.db2.gz VRYINMWIRLEPJN-FDYHWXHSSA-N 1 1 300.428 -1.344 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251009780 780463663 /nfs/dbraw/zinc/46/36/63/780463663.db2.gz PZXGBLKMHUIRPU-YDHLFZDLSA-N 1 1 314.382 -1.199 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)C1CC1 ZINC001251930461 780467210 /nfs/dbraw/zinc/46/72/10/780467210.db2.gz DFWMYPOZDWZOPT-UHFFFAOYSA-N 1 1 322.369 -1.093 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001251902154 780467371 /nfs/dbraw/zinc/46/73/71/780467371.db2.gz DTNLGQJBWZOQHH-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801113 780467775 /nfs/dbraw/zinc/46/77/75/780467775.db2.gz FNZVDFHSUZUIDH-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)CC1 ZINC001251801113 780467778 /nfs/dbraw/zinc/46/77/78/780467778.db2.gz FNZVDFHSUZUIDH-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO COCCNC(=O)[C@@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1 ZINC001252057354 780468306 /nfs/dbraw/zinc/46/83/06/780468306.db2.gz HHLKLDFUDHMMCI-AAEUAGOBSA-N 1 1 312.370 -1.569 20 0 DAADMO COCCNC(=O)[C@@H]1Cn2nccc2C[N@@H+](C[C@H](O)CO)C1 ZINC001252057354 780468309 /nfs/dbraw/zinc/46/83/09/780468309.db2.gz HHLKLDFUDHMMCI-AAEUAGOBSA-N 1 1 312.370 -1.569 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12)c1cscn1 ZINC001252058151 780468663 /nfs/dbraw/zinc/46/86/63/780468663.db2.gz WGOOBTNJJWTBOY-BTQIBKBOSA-N 1 1 313.379 -1.075 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12)c1cscn1 ZINC001252058151 780468668 /nfs/dbraw/zinc/46/86/68/780468668.db2.gz WGOOBTNJJWTBOY-BTQIBKBOSA-N 1 1 313.379 -1.075 20 0 DAADMO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058630 780468790 /nfs/dbraw/zinc/46/87/90/780468790.db2.gz GQKCGBIZRXLHSK-HZSPNIEDSA-N 1 1 315.414 -1.550 20 0 DAADMO CCOC[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001252021493 780469075 /nfs/dbraw/zinc/46/90/75/780469075.db2.gz AIGIJVFEWVIIRJ-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1C[C@H]2CN(c3cnn(C)c3)C(=O)[C@H]2C1 ZINC001252419569 780470339 /nfs/dbraw/zinc/47/03/39/780470339.db2.gz ZTJWMDHRIKUABC-DLOVCJGASA-N 1 1 308.338 -1.151 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)C(=O)OC ZINC001252440565 780471326 /nfs/dbraw/zinc/47/13/26/780471326.db2.gz AUBIOOLFJUWVMX-QMMMGPOBSA-N 1 1 319.314 -3.095 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252421974 780471383 /nfs/dbraw/zinc/47/13/83/780471383.db2.gz MYXWOSLTLLFGDE-JSGCOSHPSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252421974 780471387 /nfs/dbraw/zinc/47/13/87/780471387.db2.gz MYXWOSLTLLFGDE-JSGCOSHPSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001252452487 780472162 /nfs/dbraw/zinc/47/21/62/780472162.db2.gz OIKYWXJTHAIGPD-NWDGAFQWSA-N 1 1 323.349 -1.677 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001252815086 780473668 /nfs/dbraw/zinc/47/36/68/780473668.db2.gz LHKLFDQNGXHXRU-UONOGXRCSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@]2(C1)COCCN(C(C)=O)C2 ZINC001252815086 780473671 /nfs/dbraw/zinc/47/36/71/780473671.db2.gz LHKLFDQNGXHXRU-UONOGXRCSA-N 1 1 302.371 -1.057 20 0 DAADMO NC(=O)C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252943556 780474605 /nfs/dbraw/zinc/47/46/05/780474605.db2.gz IRDIEMCKJQIHOU-HNNXBMFYSA-N 1 1 306.366 -1.448 20 0 DAADMO C[C@](O)(C[NH2+][C@@H](CC(N)=O)C(N)=O)C(=O)OCc1ccccc1 ZINC001253662819 780477877 /nfs/dbraw/zinc/47/78/77/780477877.db2.gz DIJSSIYFHCZTLX-NHYWBVRUSA-N 1 1 323.349 -1.200 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C1 ZINC001278747761 780479174 /nfs/dbraw/zinc/47/91/74/780479174.db2.gz SYXGDPXUBLVZKT-IUCAKERBSA-N 1 1 309.313 -1.448 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)ncn1 ZINC001278766940 780483855 /nfs/dbraw/zinc/48/38/55/780483855.db2.gz OTONPUMOJJQQLC-AWEZNQCLSA-N 1 1 307.354 -1.287 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)ncn1 ZINC001278766940 780483859 /nfs/dbraw/zinc/48/38/59/780483859.db2.gz OTONPUMOJJQQLC-AWEZNQCLSA-N 1 1 307.354 -1.287 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254326438 780485008 /nfs/dbraw/zinc/48/50/08/780485008.db2.gz DEVYVPCUGLLIDW-ZETCQYMHSA-N 1 1 306.344 -3.519 20 0 DAADMO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC001254326396 780485399 /nfs/dbraw/zinc/48/53/99/780485399.db2.gz CDXABPYETWPLFK-AEJSXWLSSA-N 1 1 305.400 -1.222 20 0 DAADMO CCOC(=O)CN1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001254401474 780486858 /nfs/dbraw/zinc/48/68/58/780486858.db2.gz NYDSZRMKIHDNKO-MELADBBJSA-N 1 1 312.418 -1.994 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278787397 780487390 /nfs/dbraw/zinc/48/73/90/780487390.db2.gz REEICGHKBGMEPJ-OTYXRUKQSA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCCN(C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001254514072 780488171 /nfs/dbraw/zinc/48/81/71/780488171.db2.gz IYPWQAOHUUSWPK-RUDNTAQLSA-N 1 1 318.414 -1.096 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001278792161 780488767 /nfs/dbraw/zinc/48/87/67/780488767.db2.gz RHLWNSCMJRLUPA-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278799737 780489903 /nfs/dbraw/zinc/48/99/03/780489903.db2.gz FUYWMALIILLFOG-OTYXRUKQSA-N 1 1 314.386 -1.672 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278801337 780490310 /nfs/dbraw/zinc/49/03/10/780490310.db2.gz XCYHIWYTQLONFX-LBPRGKRZSA-N 1 1 321.399 -2.151 20 0 DAADMO CCS(=O)(=O)CCC[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278801337 780490316 /nfs/dbraw/zinc/49/03/16/780490316.db2.gz XCYHIWYTQLONFX-LBPRGKRZSA-N 1 1 321.399 -2.151 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)C1=NC(=O)N(C)C1 ZINC001278805325 780490691 /nfs/dbraw/zinc/49/06/91/780490691.db2.gz XSURUHZZZDGHRF-SNVBAGLBSA-N 1 1 323.357 -1.560 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001278800456 780490837 /nfs/dbraw/zinc/49/08/37/780490837.db2.gz NWQKXNQIFMIXKV-AWEZNQCLSA-N 1 1 309.370 -1.516 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001278800468 780490902 /nfs/dbraw/zinc/49/09/02/780490902.db2.gz NWQKXNQIFMIXKV-CQSZACIVSA-N 1 1 309.370 -1.516 20 0 DAADMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278799738 780491199 /nfs/dbraw/zinc/49/11/99/780491199.db2.gz FUYWMALIILLFOG-XPTSAGLGSA-N 1 1 314.386 -1.672 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821580 780491987 /nfs/dbraw/zinc/49/19/87/780491987.db2.gz LMAWNHGGAKAXCK-HZMBPMFUSA-N 1 1 313.354 -1.931 20 0 DAADMO OC[C@H]1O[C@H](O)[C@H](N[C@@H]2CC3CC[NH+](CC3)C2)[C@@H](O)[C@@H]1O ZINC001254841827 780492097 /nfs/dbraw/zinc/49/20/97/780492097.db2.gz BCVKDOHDAJCZBR-UQPQVDFHSA-N 1 1 302.371 -2.140 20 0 DAADMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001254876544 780492316 /nfs/dbraw/zinc/49/23/16/780492316.db2.gz DTYXKEBGYFYONZ-OAHLLOKOSA-N 1 1 322.365 -1.185 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)CN[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254850502 780492624 /nfs/dbraw/zinc/49/26/24/780492624.db2.gz GXWAXBKLLOBXRH-LLVKDONJSA-N 1 1 311.386 -2.222 20 0 DAADMO CCn1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1=O ZINC001254876864 780492743 /nfs/dbraw/zinc/49/27/43/780492743.db2.gz LXZZJUGRTCJZPR-HNNXBMFYSA-N 1 1 322.365 -1.011 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278822996 780493471 /nfs/dbraw/zinc/49/34/71/780493471.db2.gz VVJHKAIPEIJICV-AWEZNQCLSA-N 1 1 312.370 -1.253 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001278844930 780496351 /nfs/dbraw/zinc/49/63/51/780496351.db2.gz PEYSERQHMQRUPY-STQMWFEESA-N 1 1 324.381 -1.051 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278851582 780497042 /nfs/dbraw/zinc/49/70/42/780497042.db2.gz VAGIGLBVVKJJOL-GXSJLCMTSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278851582 780497043 /nfs/dbraw/zinc/49/70/43/780497043.db2.gz VAGIGLBVVKJJOL-GXSJLCMTSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278851585 780497832 /nfs/dbraw/zinc/49/78/32/780497832.db2.gz VAGIGLBVVKJJOL-ONGXEEELSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278851585 780497836 /nfs/dbraw/zinc/49/78/36/780497836.db2.gz VAGIGLBVVKJJOL-ONGXEEELSA-N 1 1 314.386 -1.720 20 0 DAADMO CCOCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001278869763 780498993 /nfs/dbraw/zinc/49/89/93/780498993.db2.gz XBZMWSMBMRVHEB-SNVBAGLBSA-N 1 1 300.363 -1.389 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001278865133 780499533 /nfs/dbraw/zinc/49/95/33/780499533.db2.gz QXKPMIWDACHCEX-SECBINFHSA-N 1 1 311.329 -1.235 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)C(N)=O ZINC001278868895 780499598 /nfs/dbraw/zinc/49/95/98/780499598.db2.gz KCJLCQYCEXXOHT-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO Cc1noc(CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278874358 780500505 /nfs/dbraw/zinc/50/05/05/780500505.db2.gz XBVSPWYNODCEKG-JTQLQIEISA-N 1 1 313.358 -1.453 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278874150 780500718 /nfs/dbraw/zinc/50/07/18/780500718.db2.gz UVVLDZLPIUNTIV-PSASIEDQSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278874150 780500727 /nfs/dbraw/zinc/50/07/27/780500727.db2.gz UVVLDZLPIUNTIV-PSASIEDQSA-N 1 1 300.359 -2.110 20 0 DAADMO CCS(=O)(=O)CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278868980 780500919 /nfs/dbraw/zinc/50/09/19/780500919.db2.gz LNXGYZCXEASCCI-JTQLQIEISA-N 1 1 323.415 -1.952 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278868980 780500925 /nfs/dbraw/zinc/50/09/25/780500925.db2.gz LNXGYZCXEASCCI-JTQLQIEISA-N 1 1 323.415 -1.952 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001278883520 780503299 /nfs/dbraw/zinc/50/32/99/780503299.db2.gz YXZQUAWNGXVLHE-GHMZBOCLSA-N 1 1 315.370 -1.733 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001278927671 780507851 /nfs/dbraw/zinc/50/78/51/780507851.db2.gz XGPJCRACHXCCDT-UHFFFAOYSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@H](CC(=O)N1CCOCC1)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001256345047 780509061 /nfs/dbraw/zinc/50/90/61/780509061.db2.gz SQSWVMWSNOEQML-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)NCC1CC1 ZINC001257472589 780514081 /nfs/dbraw/zinc/51/40/81/780514081.db2.gz MMDGCJBJOXMYNS-LLVKDONJSA-N 1 1 308.382 -1.018 20 0 DAADMO COC(=O)NC1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001257473283 780514205 /nfs/dbraw/zinc/51/42/05/780514205.db2.gz UKUIJAPRHZTDBX-VIFPVBQESA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC001257328004 780514224 /nfs/dbraw/zinc/51/42/24/780514224.db2.gz IVHKNEHOMYYJQO-UHFFFAOYSA-N 1 1 302.356 -1.531 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001257383671 780514388 /nfs/dbraw/zinc/51/43/88/780514388.db2.gz WHFJQIOKWPNZLJ-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001257383671 780514395 /nfs/dbraw/zinc/51/43/95/780514395.db2.gz WHFJQIOKWPNZLJ-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001257581428 780515537 /nfs/dbraw/zinc/51/55/37/780515537.db2.gz NLHKZKJNGSWPQH-NWDGAFQWSA-N 1 1 322.369 -1.626 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001258210974 780518282 /nfs/dbraw/zinc/51/82/82/780518282.db2.gz IOMFJYJXESDHKJ-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H](CO)C2)n1C ZINC001258288478 780519514 /nfs/dbraw/zinc/51/95/14/780519514.db2.gz QUBOXOOMYYYMAW-SNVBAGLBSA-N 1 1 309.370 -1.057 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001258504819 780523064 /nfs/dbraw/zinc/52/30/64/780523064.db2.gz WLHPCVAYYPLWRY-UHFFFAOYSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(N)(=O)=O)CC[C@@H]21 ZINC001260077499 780528821 /nfs/dbraw/zinc/52/88/21/780528821.db2.gz RBWWTCHCFBLVOI-VWYCJHECSA-N 1 1 300.388 -1.124 20 0 DAADMO Cc1nc(NS(N)(=O)=O)cc(N2CC[NH+](CCO)CC2)n1 ZINC001260074761 780529055 /nfs/dbraw/zinc/52/90/55/780529055.db2.gz MSRNUSNZICOVAN-UHFFFAOYSA-N 1 1 316.387 -1.485 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C[N@H+]1C1CC1 ZINC001261157100 780537033 /nfs/dbraw/zinc/53/70/33/780537033.db2.gz FWMKYXYQPWQVKP-VWYCJHECSA-N 1 1 323.397 -1.003 20 0 DAADMO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001261554347 780548379 /nfs/dbraw/zinc/54/83/79/780548379.db2.gz BLWDRCUCTNRZPN-RWMBFGLXSA-N 1 1 310.398 -1.620 20 0 DAADMO Cc1noc([C@H](C)NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001261561144 780549121 /nfs/dbraw/zinc/54/91/21/780549121.db2.gz IUDLNSCMEFLQJG-INTQDDNPSA-N 1 1 323.353 -1.167 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001261644296 780552770 /nfs/dbraw/zinc/55/27/70/780552770.db2.gz WXNJZZQVXKKQQQ-RYUDHWBXSA-N 1 1 300.403 -1.124 20 0 DAADMO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC001261824158 780559589 /nfs/dbraw/zinc/55/95/89/780559589.db2.gz RGXWTIHRFJBKTN-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001261842243 780560718 /nfs/dbraw/zinc/56/07/18/780560718.db2.gz REFGLDCJNYUDGU-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001261842244 780560797 /nfs/dbraw/zinc/56/07/97/780560797.db2.gz REFGLDCJNYUDGU-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1C[N@H+](C)CCO1 ZINC001261922418 780563131 /nfs/dbraw/zinc/56/31/31/780563131.db2.gz WXRICTYZAQQWMV-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1C[N@@H+](C)CCO1 ZINC001261922418 780563140 /nfs/dbraw/zinc/56/31/40/780563140.db2.gz WXRICTYZAQQWMV-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1C[N@H+](C)CCO1 ZINC001261922417 780563444 /nfs/dbraw/zinc/56/34/44/780563444.db2.gz WXRICTYZAQQWMV-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001261922417 780563448 /nfs/dbraw/zinc/56/34/48/780563448.db2.gz WXRICTYZAQQWMV-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO O=C(CSc1cccc[n+]1[O-])NC[C@]1(CO)COCC[NH2+]1 ZINC001262185322 780568397 /nfs/dbraw/zinc/56/83/97/780568397.db2.gz KYXRYSMMKPQPMH-ZDUSSCGKSA-N 1 1 313.379 -1.121 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O ZINC001262300046 780570257 /nfs/dbraw/zinc/57/02/57/780570257.db2.gz BSHRBUZKQXJUHE-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCCS1(=O)=O ZINC001262300046 780570263 /nfs/dbraw/zinc/57/02/63/780570263.db2.gz BSHRBUZKQXJUHE-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001262293295 780570754 /nfs/dbraw/zinc/57/07/54/780570754.db2.gz UGBUFFZWBNCPHL-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001262293295 780570760 /nfs/dbraw/zinc/57/07/60/780570760.db2.gz UGBUFFZWBNCPHL-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001262339120 780570969 /nfs/dbraw/zinc/57/09/69/780570969.db2.gz MBTOSHQVVKITCO-NSHDSACASA-N 1 1 317.411 -1.110 20 0 DAADMO COCC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001262490596 780571605 /nfs/dbraw/zinc/57/16/05/780571605.db2.gz ZTJWBQDUMGIRGF-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO COCC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001262490596 780571610 /nfs/dbraw/zinc/57/16/10/780571610.db2.gz ZTJWBQDUMGIRGF-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001262492132 780572448 /nfs/dbraw/zinc/57/24/48/780572448.db2.gz ADYHWQVXVLAJJE-WDEREUQCSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC001262534242 780573530 /nfs/dbraw/zinc/57/35/30/780573530.db2.gz ZTOSWPWIUCQJEO-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001262545992 780573785 /nfs/dbraw/zinc/57/37/85/780573785.db2.gz MYFXMGUXWQHUEZ-KGLIPLIRSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001262545991 780574267 /nfs/dbraw/zinc/57/42/67/780574267.db2.gz MYFXMGUXWQHUEZ-KBPBESRZSA-N 1 1 324.425 -1.088 20 0 DAADMO CCON(CC)C(=O)C[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001262577639 780575831 /nfs/dbraw/zinc/57/58/31/780575831.db2.gz VAUBKEMUNIEQIK-CYBMUJFWSA-N 1 1 302.419 -1.016 20 0 DAADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)n1 ZINC001262742644 780575810 /nfs/dbraw/zinc/57/58/10/780575810.db2.gz IDIRQVHKZCBVQH-SNVBAGLBSA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)n1 ZINC001262742644 780575811 /nfs/dbraw/zinc/57/58/11/780575811.db2.gz IDIRQVHKZCBVQH-SNVBAGLBSA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001263805037 780577543 /nfs/dbraw/zinc/57/75/43/780577543.db2.gz KJBIRRUXHQMVGN-NEPJUHHUSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(CCOCC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)C(N)=O ZINC001264108574 780582123 /nfs/dbraw/zinc/58/21/23/780582123.db2.gz MQNMWJUEGNSXTL-NSHDSACASA-N 1 1 324.385 -1.343 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H]1C ZINC001264135424 780582269 /nfs/dbraw/zinc/58/22/69/780582269.db2.gz DSBWVQGFEVIPFJ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H]1C ZINC001264135424 780582272 /nfs/dbraw/zinc/58/22/72/780582272.db2.gz DSBWVQGFEVIPFJ-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CCOCCO ZINC001264139537 780583599 /nfs/dbraw/zinc/58/35/99/780583599.db2.gz RPZOIBHOIFYCDS-OUAUKWLOSA-N 1 1 301.343 -1.317 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001264368739 780584560 /nfs/dbraw/zinc/58/45/60/780584560.db2.gz KXDUHJNUNRBWJP-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001264632517 780586868 /nfs/dbraw/zinc/58/68/68/780586868.db2.gz MPTIBAKPNNKPLQ-STQMWFEESA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCNC1=O ZINC001264666252 780587772 /nfs/dbraw/zinc/58/77/72/780587772.db2.gz JPABIDNAJWQJEE-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001264973594 780587864 /nfs/dbraw/zinc/58/78/64/780587864.db2.gz CPOGXEVMFSOHGX-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1CCCS(C)(=O)=O ZINC001264694981 780587994 /nfs/dbraw/zinc/58/79/94/780587994.db2.gz SXLOTYWOSFGDSH-ZJUUUORDSA-N 1 1 305.400 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCCS(C)(=O)=O ZINC001264694981 780587996 /nfs/dbraw/zinc/58/79/96/780587996.db2.gz SXLOTYWOSFGDSH-ZJUUUORDSA-N 1 1 305.400 -1.125 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)c1nccnc1N ZINC001264662890 780588880 /nfs/dbraw/zinc/58/88/80/780588880.db2.gz RFYOANMHHKKMNV-UHFFFAOYSA-N 1 1 310.358 -1.436 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)c1nccnc1N ZINC001264662890 780588884 /nfs/dbraw/zinc/58/88/84/780588884.db2.gz RFYOANMHHKKMNV-UHFFFAOYSA-N 1 1 310.358 -1.436 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001264992066 780589453 /nfs/dbraw/zinc/58/94/53/780589453.db2.gz KXTKDWMBBGRCKM-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001265028683 780589469 /nfs/dbraw/zinc/58/94/69/780589469.db2.gz GOHSALFAYRIJRJ-GHMZBOCLSA-N 1 1 321.385 -1.115 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001265021164 780590012 /nfs/dbraw/zinc/59/00/12/780590012.db2.gz GZTCDOFFGJOBEX-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001265021166 780590453 /nfs/dbraw/zinc/59/04/53/780590453.db2.gz GZTCDOFFGJOBEX-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1cnc(C(=O)NCCC[N@@H+](C)CCN2CCNC2=O)n1 ZINC001264982831 780590491 /nfs/dbraw/zinc/59/04/91/780590491.db2.gz YEDGZTULVRVACB-UHFFFAOYSA-N 1 1 309.374 -1.108 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O ZINC001264992102 780590790 /nfs/dbraw/zinc/59/07/90/780590790.db2.gz MDWYLBADNKVXBG-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cn1nncc1C(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001264981974 780590813 /nfs/dbraw/zinc/59/08/13/780590813.db2.gz XUBVNBJRCCBTPW-VIFPVBQESA-N 1 1 308.342 -1.328 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001265208960 780593368 /nfs/dbraw/zinc/59/33/68/780593368.db2.gz YVKDDELOTPWLAF-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001265164694 780593944 /nfs/dbraw/zinc/59/39/44/780593944.db2.gz QSBBOOJCSOHXHW-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCO)CC1)c1ccc(=O)[nH]n1 ZINC001265238426 780595152 /nfs/dbraw/zinc/59/51/52/780595152.db2.gz DHVODJZMWGEPQN-UHFFFAOYSA-N 1 1 309.370 -1.088 20 0 DAADMO NC(=O)NC(=O)CN1CC[NH+](CCCNC(=O)C(F)F)CC1 ZINC001265237318 780595752 /nfs/dbraw/zinc/59/57/52/780595752.db2.gz WYRILVGMDBISPM-UHFFFAOYSA-N 1 1 321.328 -1.430 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2cn(C)nn2)CC1 ZINC001265243458 780595808 /nfs/dbraw/zinc/59/58/08/780595808.db2.gz SICKWKORFGMXCE-UHFFFAOYSA-N 1 1 323.401 -1.701 20 0 DAADMO C[C@@H](O)CN1CC[NH+](CCCNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001265240560 780596166 /nfs/dbraw/zinc/59/61/66/780596166.db2.gz UQLFFQHKVUFLEM-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001265305806 780599061 /nfs/dbraw/zinc/59/90/61/780599061.db2.gz DCTWPILMZHNBJT-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C(=O)NCC(F)F)C2)n1 ZINC001265486653 780602079 /nfs/dbraw/zinc/60/20/79/780602079.db2.gz UVJYNCVPOJRJBZ-ZKCHVHJHSA-N 1 1 316.312 -1.067 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265531255 780603296 /nfs/dbraw/zinc/60/32/96/780603296.db2.gz DQFKDYVUQAVGKQ-TUAOUCFPSA-N 1 1 318.443 -1.133 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001265850894 780609774 /nfs/dbraw/zinc/60/97/74/780609774.db2.gz KFQBCVCVSAVBNL-MRVPVSSYSA-N 1 1 323.357 -1.399 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cnnn1C ZINC001265836879 780609821 /nfs/dbraw/zinc/60/98/21/780609821.db2.gz AIBVCKZPUNROIQ-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)C1CS(=O)(=O)C1 ZINC001265853419 780609900 /nfs/dbraw/zinc/60/99/00/780609900.db2.gz DZKAUGXXCFDJAJ-LLVKDONJSA-N 1 1 308.400 -1.524 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001265847809 780610037 /nfs/dbraw/zinc/61/00/37/780610037.db2.gz COLJWLBNBJTMSB-QMMMGPOBSA-N 1 1 309.330 -2.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H](O)C(C)C ZINC001265837811 780610670 /nfs/dbraw/zinc/61/06/70/780610670.db2.gz RWOQUBJUGVVKBP-LLVKDONJSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001265878100 780611189 /nfs/dbraw/zinc/61/11/89/780611189.db2.gz VLDLRBLLZGTBRD-NXEZZACHSA-N 1 1 324.385 -1.142 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001265878101 780611383 /nfs/dbraw/zinc/61/13/83/780611383.db2.gz VLDLRBLLZGTBRD-UWVGGRQHSA-N 1 1 324.385 -1.142 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001265864483 780611425 /nfs/dbraw/zinc/61/14/25/780611425.db2.gz UIWKNOBKLZUOTH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001265878709 780611451 /nfs/dbraw/zinc/61/14/51/780611451.db2.gz HZYZSAREWYHPPK-GFCCVEGCSA-N 1 1 323.397 -1.111 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001265876560 780611770 /nfs/dbraw/zinc/61/17/70/780611770.db2.gz XMOPOXHUGODKKZ-VHSXEESVSA-N 1 1 322.369 -1.055 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001265877811 780612106 /nfs/dbraw/zinc/61/21/06/780612106.db2.gz OLTRPNRVBWXRSH-VIFPVBQESA-N 1 1 310.358 -1.531 20 0 DAADMO C[C@H](CNC(=O)CN1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001265864482 780612270 /nfs/dbraw/zinc/61/22/70/780612270.db2.gz UIWKNOBKLZUOTH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265876561 780612335 /nfs/dbraw/zinc/61/23/35/780612335.db2.gz XMOPOXHUGODKKZ-ZJUUUORDSA-N 1 1 322.369 -1.055 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCNC1=O)C[C@H](O)Cn1cccn1 ZINC001265902135 780613454 /nfs/dbraw/zinc/61/34/54/780613454.db2.gz JIMHQFRKPQGVGI-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001265902591 780613553 /nfs/dbraw/zinc/61/35/53/780613553.db2.gz SFCHJQFRPZFVCK-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265915130 780614256 /nfs/dbraw/zinc/61/42/56/780614256.db2.gz UUZYKIVEEOVFAW-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001265929311 780614470 /nfs/dbraw/zinc/61/44/70/780614470.db2.gz LSVMKPHPTAROFS-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001265984203 780616046 /nfs/dbraw/zinc/61/60/46/780616046.db2.gz NRUKRAQWAYPUDV-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[N@@H+](CCO)CCCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001265971468 780616341 /nfs/dbraw/zinc/61/63/41/780616341.db2.gz OBZFVEIFPPDDQC-UHFFFAOYSA-N 1 1 307.416 -1.853 20 0 DAADMO CC[N@@H+](CCCNC(=O)C(N)=O)CC(=O)NC1CCOCC1 ZINC001266077720 780618604 /nfs/dbraw/zinc/61/86/04/780618604.db2.gz RNWASNIQCQJLDO-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C)C1=O ZINC001266077190 780618651 /nfs/dbraw/zinc/61/86/51/780618651.db2.gz BWVICYNSKIOMRP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cn1cncn1)Cc1nc(=O)n(C)[nH]1 ZINC001266106298 780619138 /nfs/dbraw/zinc/61/91/38/780619138.db2.gz MNDGETYZRYEFQQ-UHFFFAOYSA-N 1 1 322.373 -1.272 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001279453815 780622407 /nfs/dbraw/zinc/62/24/07/780622407.db2.gz PUYRKLRNUDKOHD-KGLIPLIRSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001279453817 780622982 /nfs/dbraw/zinc/62/29/82/780622982.db2.gz PUYRKLRNUDKOHD-ZIAGYGMSSA-N 1 1 304.387 -1.027 20 0 DAADMO COCC[N@@H+]1CC=C(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001279607796 780623976 /nfs/dbraw/zinc/62/39/76/780623976.db2.gz XNHCWIKJOXXNBV-UHFFFAOYSA-N 1 1 310.398 -1.187 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1nccs1 ZINC001279724912 780625569 /nfs/dbraw/zinc/62/55/69/780625569.db2.gz PTPDDRAQZXXFQK-UHFFFAOYSA-N 1 1 315.399 -1.017 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001279687171 780626406 /nfs/dbraw/zinc/62/64/06/780626406.db2.gz GXVUMGBNDDBWDY-LBPRGKRZSA-N 1 1 323.397 -1.119 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@]1(F)CCOC1 ZINC001279810468 780627194 /nfs/dbraw/zinc/62/71/94/780627194.db2.gz QYFMYUNIKVGLGQ-GFCCVEGCSA-N 1 1 316.337 -1.751 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 ZINC001279858132 780628311 /nfs/dbraw/zinc/62/83/11/780628311.db2.gz LSPANMNZCFUOBB-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CCC(=O)N1 ZINC001279858131 780628650 /nfs/dbraw/zinc/62/86/50/780628650.db2.gz LSPANMNZCFUOBB-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO CN(CC(C)(C)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001280405019 780633390 /nfs/dbraw/zinc/63/33/90/780633390.db2.gz AKFAJHMPPHEWBI-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CC(C)(C)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001280405019 780633394 /nfs/dbraw/zinc/63/33/94/780633394.db2.gz AKFAJHMPPHEWBI-SNVBAGLBSA-N 1 1 314.386 -1.597 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001280563775 780638294 /nfs/dbraw/zinc/63/82/94/780638294.db2.gz FKOZDHJYNITPQW-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO NC(=O)C(=O)NC1(CCO)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001280564710 780639186 /nfs/dbraw/zinc/63/91/86/780639186.db2.gz WYBRAFUEZAFLMN-AWEZNQCLSA-N 1 1 324.381 -1.963 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001280715515 780642710 /nfs/dbraw/zinc/64/27/10/780642710.db2.gz XUOLCUPSDZYFCI-RYUDHWBXSA-N 1 1 324.381 -1.102 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280708048 780642760 /nfs/dbraw/zinc/64/27/60/780642760.db2.gz LQNSAJLLBAAYBU-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280708047 780643046 /nfs/dbraw/zinc/64/30/46/780643046.db2.gz LQNSAJLLBAAYBU-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CCOCCO)CC1 ZINC001280734921 780643770 /nfs/dbraw/zinc/64/37/70/780643770.db2.gz ZYXAPBFTGDXQMN-GFCCVEGCSA-N 1 1 312.374 -1.347 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCNC1=O ZINC001280848193 780646244 /nfs/dbraw/zinc/64/62/44/780646244.db2.gz KFOUNCSULZCKLV-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001280884100 780647365 /nfs/dbraw/zinc/64/73/65/780647365.db2.gz WGDUDGSRIKATKV-JTQLQIEISA-N 1 1 312.370 -1.211 20 0 DAADMO CN(CCOCCNC(=O)C(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001280914874 780648301 /nfs/dbraw/zinc/64/83/01/780648301.db2.gz JALBTMJZSQKETC-SNVBAGLBSA-N 1 1 300.359 -1.985 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045603 780653366 /nfs/dbraw/zinc/65/33/66/780653366.db2.gz QEDJICNFNRJECZ-GHMZBOCLSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045603 780653368 /nfs/dbraw/zinc/65/33/68/780653368.db2.gz QEDJICNFNRJECZ-GHMZBOCLSA-N 1 1 314.386 -1.456 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281076728 780657300 /nfs/dbraw/zinc/65/73/00/780657300.db2.gz UJJZVDVPEIQAEW-GHMZBOCLSA-N 1 1 314.386 -1.942 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281091126 780659665 /nfs/dbraw/zinc/65/96/65/780659665.db2.gz PORAGHWPYCRUET-NXEZZACHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001281111489 780664538 /nfs/dbraw/zinc/66/45/38/780664538.db2.gz ISPHVPPJVTWAON-SNVBAGLBSA-N 1 1 314.386 -1.815 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)C(N)=O ZINC001281326383 780679654 /nfs/dbraw/zinc/67/96/54/780679654.db2.gz GEXPHDIMJRIPAI-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](CCCCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281559053 780685254 /nfs/dbraw/zinc/68/52/54/780685254.db2.gz TZPYCBAQHMEWIC-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CCCCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281559053 780685257 /nfs/dbraw/zinc/68/52/57/780685257.db2.gz TZPYCBAQHMEWIC-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CCCCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281559051 780685450 /nfs/dbraw/zinc/68/54/50/780685450.db2.gz TZPYCBAQHMEWIC-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CCCCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281559051 780685452 /nfs/dbraw/zinc/68/54/52/780685452.db2.gz TZPYCBAQHMEWIC-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)N1CCC(O)(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001281627736 780686464 /nfs/dbraw/zinc/68/64/64/780686464.db2.gz UITCGXDLWDQAJC-UHFFFAOYSA-N 1 1 323.353 -1.125 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281875292 780694674 /nfs/dbraw/zinc/69/46/74/780694674.db2.gz YDNHCHVOUQQQBA-VWYCJHECSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281875291 780695112 /nfs/dbraw/zinc/69/51/12/780695112.db2.gz YDNHCHVOUQQQBA-MXWKQRLJSA-N 1 1 312.370 -2.095 20 0 DAADMO CN(CC[N@H+](C)C[C@H]1CCCN1C(=O)C(N)=O)S(C)(=O)=O ZINC001281958223 780697063 /nfs/dbraw/zinc/69/70/63/780697063.db2.gz YVLGHTASNWWXHN-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(N)=O)S(C)(=O)=O ZINC001281958223 780697071 /nfs/dbraw/zinc/69/70/71/780697071.db2.gz YVLGHTASNWWXHN-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001281957460 780697748 /nfs/dbraw/zinc/69/77/48/780697748.db2.gz RRGQATKQTFGLRE-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001281957460 780697755 /nfs/dbraw/zinc/69/77/55/780697755.db2.gz RRGQATKQTFGLRE-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C[N@@H+](C)CCOCCO ZINC001281931524 780697889 /nfs/dbraw/zinc/69/78/89/780697889.db2.gz BYEVAUWUJSCFMM-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001282378128 780704744 /nfs/dbraw/zinc/70/47/44/780704744.db2.gz KPUCLMMLGFWGDF-BDAKNGLRSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCOCC1 ZINC001282366160 780705320 /nfs/dbraw/zinc/70/53/20/780705320.db2.gz IEQOVQSQJGDDJV-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001282366160 780705327 /nfs/dbraw/zinc/70/53/27/780705327.db2.gz IEQOVQSQJGDDJV-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282378129 780705704 /nfs/dbraw/zinc/70/57/04/780705704.db2.gz KPUCLMMLGFWGDF-DTWKUNHWSA-N 1 1 308.342 -1.330 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001282423049 780707658 /nfs/dbraw/zinc/70/76/58/780707658.db2.gz LQMVXQXVIGAMJU-UWVGGRQHSA-N 1 1 300.359 -2.110 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001282466858 780709090 /nfs/dbraw/zinc/70/90/90/780709090.db2.gz DYASCGWKFKVMAC-MWLCHTKSSA-N 1 1 315.370 -1.517 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001282469053 780709151 /nfs/dbraw/zinc/70/91/51/780709151.db2.gz PAYBCZSLEXGPHT-SECBINFHSA-N 1 1 314.342 -1.510 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001282470231 780709997 /nfs/dbraw/zinc/70/99/97/780709997.db2.gz WSOMZPHRIGCLFR-VHSXEESVSA-N 1 1 324.381 -1.246 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001282588031 780712468 /nfs/dbraw/zinc/71/24/68/780712468.db2.gz AATYOWKOQWQKTG-AWEZNQCLSA-N 1 1 323.353 -1.589 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001282849386 780715540 /nfs/dbraw/zinc/71/55/40/780715540.db2.gz MUZWWHXDZLINGJ-WISYIIOYSA-N 1 1 308.382 -1.305 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775674 780716178 /nfs/dbraw/zinc/71/61/78/780716178.db2.gz WSSJIORHQBFVET-RISCZKNCSA-N 1 1 315.370 -1.828 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001282775674 780716185 /nfs/dbraw/zinc/71/61/85/780716185.db2.gz WSSJIORHQBFVET-RISCZKNCSA-N 1 1 315.370 -1.828 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CCn2cccn2)C1 ZINC001282915599 780721782 /nfs/dbraw/zinc/72/17/82/780721782.db2.gz AQENBGGJIISUOI-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CCn2cccn2)C1 ZINC001282915599 780721785 /nfs/dbraw/zinc/72/17/85/780721785.db2.gz AQENBGGJIISUOI-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001282947286 780724668 /nfs/dbraw/zinc/72/46/68/780724668.db2.gz KVWCYEVNEPAFGM-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO COc1nc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)co1 ZINC001282960486 780725771 /nfs/dbraw/zinc/72/57/71/780725771.db2.gz ZHWVMPLTLPHDKP-SNVBAGLBSA-N 1 1 312.326 -1.140 20 0 DAADMO COc1nc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)co1 ZINC001282960486 780725775 /nfs/dbraw/zinc/72/57/75/780725775.db2.gz ZHWVMPLTLPHDKP-SNVBAGLBSA-N 1 1 312.326 -1.140 20 0 DAADMO COC[C@H](OC)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282959119 780725821 /nfs/dbraw/zinc/72/58/21/780725821.db2.gz KDZUHWUUVFTJMK-QWRGUYRKSA-N 1 1 303.359 -1.789 20 0 DAADMO COC[C@H](OC)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282959119 780725825 /nfs/dbraw/zinc/72/58/25/780725825.db2.gz KDZUHWUUVFTJMK-QWRGUYRKSA-N 1 1 303.359 -1.789 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001282957527 780725836 /nfs/dbraw/zinc/72/58/36/780725836.db2.gz YSGNOLKCVOFKPK-MNOVXSKESA-N 1 1 310.358 -1.598 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001282957527 780725840 /nfs/dbraw/zinc/72/58/40/780725840.db2.gz YSGNOLKCVOFKPK-MNOVXSKESA-N 1 1 310.358 -1.598 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001282959082 780726316 /nfs/dbraw/zinc/72/63/16/780726316.db2.gz JHDYEFSUYUGQAS-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001282959082 780726322 /nfs/dbraw/zinc/72/63/22/780726322.db2.gz JHDYEFSUYUGQAS-LLVKDONJSA-N 1 1 323.353 -1.710 20 0 DAADMO COC[C@H](OC)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282959118 780726354 /nfs/dbraw/zinc/72/63/54/780726354.db2.gz KDZUHWUUVFTJMK-MNOVXSKESA-N 1 1 303.359 -1.789 20 0 DAADMO COC[C@H](OC)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282959118 780726363 /nfs/dbraw/zinc/72/63/63/780726363.db2.gz KDZUHWUUVFTJMK-MNOVXSKESA-N 1 1 303.359 -1.789 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2ccccc2=O)C1 ZINC001282959673 780726636 /nfs/dbraw/zinc/72/66/36/780726636.db2.gz PEQKHEYVLNSLMS-LBPRGKRZSA-N 1 1 322.365 -1.589 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cn2ccccc2=O)C1 ZINC001282959673 780726641 /nfs/dbraw/zinc/72/66/41/780726641.db2.gz PEQKHEYVLNSLMS-LBPRGKRZSA-N 1 1 322.365 -1.589 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001282954872 780726663 /nfs/dbraw/zinc/72/66/63/780726663.db2.gz FDDUMFNOSKNHGS-LLVKDONJSA-N 1 1 308.338 -1.036 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001282954872 780726672 /nfs/dbraw/zinc/72/66/72/780726672.db2.gz FDDUMFNOSKNHGS-LLVKDONJSA-N 1 1 308.338 -1.036 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283025306 780733553 /nfs/dbraw/zinc/73/35/53/780733553.db2.gz JBRWNASBRBRQSP-MNOVXSKESA-N 1 1 319.427 -1.149 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2nc3ncccn3n2)C1 ZINC001283026190 780733901 /nfs/dbraw/zinc/73/39/01/780733901.db2.gz SEDWMHOXRHARKJ-JTQLQIEISA-N 1 1 317.353 -1.078 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)CCn1cnnn1 ZINC001283026530 780733948 /nfs/dbraw/zinc/73/39/48/780733948.db2.gz DPOIBSVPMYXSRR-UHFFFAOYSA-N 1 1 306.330 -1.499 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C2(C(N)=O)CC2)C1 ZINC001283048478 780735817 /nfs/dbraw/zinc/73/58/17/780735817.db2.gz VQUHEISUTNBDOG-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)C2(C(N)=O)CC2)C1 ZINC001283048478 780735820 /nfs/dbraw/zinc/73/58/20/780735820.db2.gz VQUHEISUTNBDOG-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2(C(N)=O)CC2)C1 ZINC001283048480 780735929 /nfs/dbraw/zinc/73/59/29/780735929.db2.gz VQUHEISUTNBDOG-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2(C(N)=O)CC2)C1 ZINC001283048480 780735933 /nfs/dbraw/zinc/73/59/33/780735933.db2.gz VQUHEISUTNBDOG-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO Cc1nn(CC(=O)NCCNC(=O)Cc2cnc[nH]2)c(=O)n1C ZINC001283140801 780744556 /nfs/dbraw/zinc/74/45/56/780744556.db2.gz JMOULTFAFQPOPB-UHFFFAOYSA-N 1 1 321.341 -1.912 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001283340288 780757421 /nfs/dbraw/zinc/75/74/21/780757421.db2.gz HRTYPIDMRMKDEJ-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC001283375172 780757846 /nfs/dbraw/zinc/75/78/46/780757846.db2.gz QDGQYKNNPKLKKV-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCOCCNC(=O)c1cc(=O)n(C)cn1 ZINC001283386402 780758750 /nfs/dbraw/zinc/75/87/50/780758750.db2.gz BNTDDTFURWPCJY-NSHDSACASA-N 1 1 312.370 -1.161 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCNC1=O ZINC001283409788 780759195 /nfs/dbraw/zinc/75/91/95/780759195.db2.gz ZSVGZFZBLAQEEM-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCNC1=O ZINC001283409787 780759632 /nfs/dbraw/zinc/75/96/32/780759632.db2.gz ZSVGZFZBLAQEEM-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO CN1C[C@@H](C(=O)NCCOCC[N@H+](C)CC(N)=O)NC1=O ZINC001283405082 780760098 /nfs/dbraw/zinc/76/00/98/780760098.db2.gz CYZBBLONJXOPDP-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO CN1C[C@@H](C(=O)NCCOCC[N@@H+](C)CC(N)=O)NC1=O ZINC001283405082 780760102 /nfs/dbraw/zinc/76/01/02/780760102.db2.gz CYZBBLONJXOPDP-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001283416479 780760840 /nfs/dbraw/zinc/76/08/40/780760840.db2.gz MWWKSZHDTSIPJP-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283422231 780761064 /nfs/dbraw/zinc/76/10/64/780761064.db2.gz AXFGXBZWDKECPN-JTQLQIEISA-N 1 1 309.388 -2.265 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)CCO)c(=O)[nH]c1=O ZINC001283422816 780761218 /nfs/dbraw/zinc/76/12/18/780761218.db2.gz RLDCYSLBMYAIMZ-UHFFFAOYSA-N 1 1 314.342 -1.844 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283637033 780767669 /nfs/dbraw/zinc/76/76/69/780767669.db2.gz USWMILRDTSWDRV-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283790915 780776405 /nfs/dbraw/zinc/77/64/05/780776405.db2.gz BQHPHTQEGLGGHV-WDEREUQCSA-N 1 1 322.431 -2.304 20 0 DAADMO CC1CCN(C(=O)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001283813644 780779033 /nfs/dbraw/zinc/77/90/33/780779033.db2.gz PQYHFKAAHSMRGE-JTQLQIEISA-N 1 1 300.359 -2.203 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC001283795745 780777944 /nfs/dbraw/zinc/77/79/44/780777944.db2.gz GZPIDXBCQOPHTE-CMPLNLGQSA-N 1 1 320.349 -1.656 20 0 DAADMO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001283814862 780779630 /nfs/dbraw/zinc/77/96/30/780779630.db2.gz IUXKOWJDOHKBIH-JTQLQIEISA-N 1 1 300.359 -2.285 20 0 DAADMO COCC(=O)N1CC[NH+](CCCNC(=O)CNC(C)=O)CC1 ZINC001283817713 780779736 /nfs/dbraw/zinc/77/97/36/780779736.db2.gz QKARLUSKRXDIMN-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001283820763 780780885 /nfs/dbraw/zinc/78/08/85/780780885.db2.gz JZVGVCHPZQZHKU-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO COCC(=O)NCCC[NH+]1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001283818929 780781011 /nfs/dbraw/zinc/78/10/11/780781011.db2.gz WQAHFMKUKVKISP-UHFFFAOYSA-N 1 1 324.385 -1.356 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCNC(=O)C(N)=O)CC1 ZINC001283831276 780782144 /nfs/dbraw/zinc/78/21/44/780782144.db2.gz UVFSBTTXEUSQRI-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927866 780788252 /nfs/dbraw/zinc/78/82/52/780788252.db2.gz ODNJLYIVHSGYAJ-WDEREUQCSA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927866 780788261 /nfs/dbraw/zinc/78/82/61/780788261.db2.gz ODNJLYIVHSGYAJ-WDEREUQCSA-N 1 1 312.370 -1.797 20 0 DAADMO COCCOCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001283961982 780789362 /nfs/dbraw/zinc/78/93/62/780789362.db2.gz AXYGVZLSHQWKRV-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO NC(=O)C(=O)N[C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001283950122 780789735 /nfs/dbraw/zinc/78/97/35/780789735.db2.gz YUBCTIVLXBFRRR-LLVKDONJSA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C(=O)NCC(F)F)CCC[C@H]12 ZINC001284057918 780792887 /nfs/dbraw/zinc/79/28/87/780792887.db2.gz OFVBJWYGOKZHNO-ISVAXAHUSA-N 1 1 318.324 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C(=O)NCC(F)F)CCC[C@H]12 ZINC001284057918 780792893 /nfs/dbraw/zinc/79/28/93/780792893.db2.gz OFVBJWYGOKZHNO-ISVAXAHUSA-N 1 1 318.324 -1.034 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CN(C)C(=O)CC(N)=O)nn1 ZINC001284401840 780813258 /nfs/dbraw/zinc/81/32/58/780813258.db2.gz LDGZKYJVIRHWOA-NSHDSACASA-N 1 1 312.374 -1.357 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cc1ccn[nH]1 ZINC001284402699 780813596 /nfs/dbraw/zinc/81/35/96/780813596.db2.gz MTNOVJZOGFFILX-MNOVXSKESA-N 1 1 323.353 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C(=O)NCC(F)F ZINC001284428679 780815001 /nfs/dbraw/zinc/81/50/01/780815001.db2.gz HOBNYGYOIMCVLU-QMMMGPOBSA-N 1 1 321.284 -1.640 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCNC2=O)nn1 ZINC001284437997 780816202 /nfs/dbraw/zinc/81/62/02/780816202.db2.gz BTPUDLCSFRYFJO-RYUDHWBXSA-N 1 1 324.385 -1.657 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnc2n1CCCC2)C(=O)C(N)=O ZINC001284444688 780817479 /nfs/dbraw/zinc/81/74/79/780817479.db2.gz MJUWIAJFAAFMID-SECBINFHSA-N 1 1 310.358 -1.991 20 0 DAADMO CCOCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001284491977 780821700 /nfs/dbraw/zinc/82/17/00/780821700.db2.gz GAFVKIUSSKWZSQ-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO CCOCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001284491977 780821706 /nfs/dbraw/zinc/82/17/06/780821706.db2.gz GAFVKIUSSKWZSQ-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502734 780822984 /nfs/dbraw/zinc/82/29/84/780822984.db2.gz STBVUGWURPKJNH-JTQLQIEISA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502734 780822991 /nfs/dbraw/zinc/82/29/91/780822991.db2.gz STBVUGWURPKJNH-JTQLQIEISA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)C1(C(N)=O)CC1 ZINC001284507876 780823127 /nfs/dbraw/zinc/82/31/27/780823127.db2.gz ADVCEFDNYYKBMK-LBPRGKRZSA-N 1 1 323.397 -1.063 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)C1(C(N)=O)CC1 ZINC001284507876 780823136 /nfs/dbraw/zinc/82/31/36/780823136.db2.gz ADVCEFDNYYKBMK-LBPRGKRZSA-N 1 1 323.397 -1.063 20 0 DAADMO COCC[N@H+](CCNC(=O)C(N)=O)Cc1cccc(C(N)=O)c1 ZINC001284657051 780834480 /nfs/dbraw/zinc/83/44/80/780834480.db2.gz DOJGMFRJCOHFBS-UHFFFAOYSA-N 1 1 322.365 -1.165 20 0 DAADMO COCC[N@@H+](CCNC(=O)C(N)=O)Cc1cccc(C(N)=O)c1 ZINC001284657051 780834485 /nfs/dbraw/zinc/83/44/85/780834485.db2.gz DOJGMFRJCOHFBS-UHFFFAOYSA-N 1 1 322.365 -1.165 20 0 DAADMO Cc1nnc(C[NH2+]CCOCCN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001284874889 780842806 /nfs/dbraw/zinc/84/28/06/780842806.db2.gz QECIAWIHXYDHDN-UHFFFAOYSA-N 1 1 323.361 -1.485 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284967366 780850673 /nfs/dbraw/zinc/85/06/73/780850673.db2.gz DNRLNHZURYEAOV-LLVKDONJSA-N 1 1 321.385 -1.054 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284967366 780850678 /nfs/dbraw/zinc/85/06/78/780850678.db2.gz DNRLNHZURYEAOV-LLVKDONJSA-N 1 1 321.385 -1.054 20 0 DAADMO O=C(CCn1cnnn1)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001284969734 780850798 /nfs/dbraw/zinc/85/07/98/780850798.db2.gz VOVOQZKJVAKDTC-GFCCVEGCSA-N 1 1 319.369 -1.300 20 0 DAADMO O=C(CCn1cnnn1)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001284969734 780850805 /nfs/dbraw/zinc/85/08/05/780850805.db2.gz VOVOQZKJVAKDTC-GFCCVEGCSA-N 1 1 319.369 -1.300 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001284957597 780851282 /nfs/dbraw/zinc/85/12/82/780851282.db2.gz RDRTVLXGUNSGES-SECBINFHSA-N 1 1 318.399 -1.842 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001284957597 780851284 /nfs/dbraw/zinc/85/12/84/780851284.db2.gz RDRTVLXGUNSGES-SECBINFHSA-N 1 1 318.399 -1.842 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001284980749 780852394 /nfs/dbraw/zinc/85/23/94/780852394.db2.gz VWTSKEWGWUFCSI-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001284986109 780852521 /nfs/dbraw/zinc/85/25/21/780852521.db2.gz NZIWRRUZMJNSSH-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001284986109 780852528 /nfs/dbraw/zinc/85/25/28/780852528.db2.gz NZIWRRUZMJNSSH-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO Cn1cc(CCC(=O)NCC2=CC[N@H+](CC(N)=O)CC2)nn1 ZINC001284993602 780853531 /nfs/dbraw/zinc/85/35/31/780853531.db2.gz CGXCMNWPZZDHHC-UHFFFAOYSA-N 1 1 306.370 -1.019 20 0 DAADMO Cn1cc(CCC(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)nn1 ZINC001284993602 780853536 /nfs/dbraw/zinc/85/35/36/780853536.db2.gz CGXCMNWPZZDHHC-UHFFFAOYSA-N 1 1 306.370 -1.019 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001285416264 780866787 /nfs/dbraw/zinc/86/67/87/780866787.db2.gz GHFQDFHITSWWKQ-CYBMUJFWSA-N 1 1 324.381 -1.133 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001285428417 780870138 /nfs/dbraw/zinc/87/01/38/780870138.db2.gz ZDLDOQJSVZDLLU-QWRGUYRKSA-N 1 1 314.386 -1.672 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510736 780875553 /nfs/dbraw/zinc/87/55/53/780875553.db2.gz IKJAQSVFKYYOTM-RJSMLWPFSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510736 780875561 /nfs/dbraw/zinc/87/55/61/780875561.db2.gz IKJAQSVFKYYOTM-RJSMLWPFSA-N 1 1 323.393 -1.002 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001285511114 780876614 /nfs/dbraw/zinc/87/66/14/780876614.db2.gz JGFCOGHMBIWIBM-DLRQAJBASA-N 1 1 322.369 -1.154 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC=CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001285511114 780876621 /nfs/dbraw/zinc/87/66/21/780876621.db2.gz JGFCOGHMBIWIBM-DLRQAJBASA-N 1 1 322.369 -1.154 20 0 DAADMO C[N@@H+](CC(=O)NC/C=C/CNC(=O)Cn1ncnn1)C1CCC1 ZINC001285557680 780877401 /nfs/dbraw/zinc/87/74/01/780877401.db2.gz DVCKCAOWXQEVCI-NSCUHMNNSA-N 1 1 321.385 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001285558025 780877761 /nfs/dbraw/zinc/87/77/61/780877761.db2.gz NRYWTRJQCQJRJI-MMJBKMRYSA-N 1 1 309.370 -1.592 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNC(=O)[C@H]1CNC(=O)N1 ZINC001285570027 780877782 /nfs/dbraw/zinc/87/77/82/780877782.db2.gz FYDHEGSNPQCFBU-DOGVGXBMSA-N 1 1 311.386 -1.203 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001285630592 780880440 /nfs/dbraw/zinc/88/04/40/780880440.db2.gz WBUGBHQUJHNFGI-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001285649925 780881207 /nfs/dbraw/zinc/88/12/07/780881207.db2.gz UNUHLSQCLSUBLM-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001285738068 780885795 /nfs/dbraw/zinc/88/57/95/780885795.db2.gz QTIYMGUEPIKHDA-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001285738068 780885805 /nfs/dbraw/zinc/88/58/05/780885805.db2.gz QTIYMGUEPIKHDA-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081693 780904342 /nfs/dbraw/zinc/90/43/42/780904342.db2.gz SMGFXGOPMUAMDY-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081693 780904345 /nfs/dbraw/zinc/90/43/45/780904345.db2.gz SMGFXGOPMUAMDY-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC[C@](C)(NC(=O)C(N)=O)C2)no1 ZINC001286107397 780905911 /nfs/dbraw/zinc/90/59/11/780905911.db2.gz VPBMTFSGJYYGIR-AWEZNQCLSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134928 780906556 /nfs/dbraw/zinc/90/65/56/780906556.db2.gz HKHIEPYWLRGCGF-QMTHXVAHSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134928 780906558 /nfs/dbraw/zinc/90/65/58/780906558.db2.gz HKHIEPYWLRGCGF-QMTHXVAHSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001286259734 780911934 /nfs/dbraw/zinc/91/19/34/780911934.db2.gz KVCUHKAWZRYCGO-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO CC(C)[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287462284 780917740 /nfs/dbraw/zinc/91/77/40/780917740.db2.gz AQHONVDKYCVCKS-GHMZBOCLSA-N 1 1 314.386 -1.551 20 0 DAADMO CC(C)[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287462284 780917743 /nfs/dbraw/zinc/91/77/43/780917743.db2.gz AQHONVDKYCVCKS-GHMZBOCLSA-N 1 1 314.386 -1.551 20 0 DAADMO COCCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001287746351 780923015 /nfs/dbraw/zinc/92/30/15/780923015.db2.gz VDTJAAOSEPAKLH-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001287794084 780928495 /nfs/dbraw/zinc/92/84/95/780928495.db2.gz BGFPEZUTSCOGDZ-NXEZZACHSA-N 1 1 314.386 -1.815 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001287800771 780929190 /nfs/dbraw/zinc/92/91/90/780929190.db2.gz PFDXUYYMHXRYQL-NXEZZACHSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC001287816492 780931015 /nfs/dbraw/zinc/93/10/15/780931015.db2.gz NSBOVWBPODUJQQ-WDEREUQCSA-N 1 1 314.386 -1.942 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833354 781351780 /nfs/dbraw/zinc/35/17/80/781351780.db2.gz LNLRGHCXPRPLRR-ONGXEEELSA-N 1 1 310.358 -1.662 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090825603 781352242 /nfs/dbraw/zinc/35/22/42/781352242.db2.gz UVLAUGQWJJVOJF-GHMZBOCLSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090825649 781352887 /nfs/dbraw/zinc/35/28/87/781352887.db2.gz VQKZHNFZWYSGAH-RYUDHWBXSA-N 1 1 322.365 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001090833587 781352994 /nfs/dbraw/zinc/35/29/94/781352994.db2.gz MZZGINFIUKVCHN-JQWIXIFHSA-N 1 1 312.370 -1.465 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090833913 781353182 /nfs/dbraw/zinc/35/31/82/781353182.db2.gz QUVYAOYKXRPRAX-ZYHUDNBSSA-N 1 1 324.385 -1.416 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)nn1 ZINC001090829726 781353576 /nfs/dbraw/zinc/35/35/76/781353576.db2.gz FCTWHRDIVOXUJP-CMPLNLGQSA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1noc2c1COCC2 ZINC001090824619 781353628 /nfs/dbraw/zinc/35/36/28/781353628.db2.gz RARRGDUDBAJTBJ-GHMZBOCLSA-N 1 1 311.338 -1.095 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)nc1 ZINC001090843889 781354717 /nfs/dbraw/zinc/35/47/17/781354717.db2.gz MFDOKKLTEBKJOV-ZYHUDNBSSA-N 1 1 308.338 -1.662 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832438 781355942 /nfs/dbraw/zinc/35/59/42/781355942.db2.gz BPIBFLGTTATRKJ-GXSJLCMTSA-N 1 1 310.358 -1.663 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832439 781356111 /nfs/dbraw/zinc/35/61/11/781356111.db2.gz BPIBFLGTTATRKJ-KOLCDFICSA-N 1 1 310.358 -1.663 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001090840716 781356160 /nfs/dbraw/zinc/35/61/60/781356160.db2.gz FCGAELQQQYMROD-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001090839921 781356918 /nfs/dbraw/zinc/35/69/18/781356918.db2.gz TVFPTMUAZSFSDN-GWCFXTLKSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090851932 781357394 /nfs/dbraw/zinc/35/73/94/781357394.db2.gz LGNVKIQUJWEPEF-PWSUYJOCSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001090852455 781357498 /nfs/dbraw/zinc/35/74/98/781357498.db2.gz QQWHIGLGFNYWIG-AAEUAGOBSA-N 1 1 322.365 -1.008 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090846872 781357522 /nfs/dbraw/zinc/35/75/22/781357522.db2.gz JATBIHJJHJMURU-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090846872 781357533 /nfs/dbraw/zinc/35/75/33/781357533.db2.gz JATBIHJJHJMURU-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090848359 781358739 /nfs/dbraw/zinc/35/87/39/781358739.db2.gz FQVWWNHSYNOANN-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090851931 781358771 /nfs/dbraw/zinc/35/87/71/781358771.db2.gz LGNVKIQUJWEPEF-JQWIXIFHSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001090852996 781359770 /nfs/dbraw/zinc/35/97/70/781359770.db2.gz VJUHYWHPBDGWMQ-DGCLKSJQSA-N 1 1 322.365 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)O ZINC001110109788 781362130 /nfs/dbraw/zinc/36/21/30/781362130.db2.gz MIRDMGFNMPGQMM-VLEAKVRGSA-N 1 1 305.400 -1.362 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001090934776 781364861 /nfs/dbraw/zinc/36/48/61/781364861.db2.gz ANYRKECNLISNKS-VQXHTEKXSA-N 1 1 310.358 -1.390 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001090957812 781364928 /nfs/dbraw/zinc/36/49/28/781364928.db2.gz SYKDLVRSCBPXJY-UDNWOFFPSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001091001725 781366212 /nfs/dbraw/zinc/36/62/12/781366212.db2.gz AYCARAMTZJEMTE-UHFFFAOYSA-N 1 1 321.341 -1.200 20 0 DAADMO Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001144332636 781368867 /nfs/dbraw/zinc/36/88/67/781368867.db2.gz FYTCKHPXDFJLQJ-JTQLQIEISA-N 1 1 318.337 -1.090 20 0 DAADMO CCc1cc(N2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091067801 781370521 /nfs/dbraw/zinc/37/05/21/781370521.db2.gz QQOFTEMRMITUOQ-MNOVXSKESA-N 1 1 322.369 -1.319 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001091080150 781375024 /nfs/dbraw/zinc/37/50/24/781375024.db2.gz SWAXEZRNMDXHBD-VQXHTEKXSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ncccn2)C[C@@H]1O ZINC001091123605 781378305 /nfs/dbraw/zinc/37/83/05/781378305.db2.gz ZPBHOFFYMJURNI-OLZOCXBDSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)CCCS(N)(=O)=O)CC1 ZINC001144594670 781379109 /nfs/dbraw/zinc/37/91/09/781379109.db2.gz OMRBEMCMNFKEEH-UHFFFAOYSA-N 1 1 306.432 -1.191 20 0 DAADMO Cn1nnc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)n1 ZINC001091189608 781382898 /nfs/dbraw/zinc/38/28/98/781382898.db2.gz SBPAUTMKILVOEL-UHFFFAOYSA-N 1 1 306.334 -1.968 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001091183709 781383520 /nfs/dbraw/zinc/38/35/20/781383520.db2.gz WDMVJYUTZKRJCW-UHFFFAOYSA-N 1 1 320.357 -1.053 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(Br)CCC2)[C@H]2NCN[C@@H]21 ZINC001144753637 781384786 /nfs/dbraw/zinc/38/47/86/781384786.db2.gz XCHSJINOHCWAMP-BWZBUEFSSA-N 1 1 304.192 -1.177 20 0 DAADMO COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001144812205 781385951 /nfs/dbraw/zinc/38/59/51/781385951.db2.gz PDYPNAHCHJWTQV-WTPMCQDGSA-N 1 1 311.386 -1.515 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001171230565 781387018 /nfs/dbraw/zinc/38/70/18/781387018.db2.gz OPTWHIPOZNIPQY-NEPJUHHUSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001171230565 781387023 /nfs/dbraw/zinc/38/70/23/781387023.db2.gz OPTWHIPOZNIPQY-NEPJUHHUSA-N 1 1 310.416 -1.383 20 0 DAADMO O=C(C[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001091288293 781388329 /nfs/dbraw/zinc/38/83/29/781388329.db2.gz LTWLUWLSCVGWTF-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001091288293 781388332 /nfs/dbraw/zinc/38/83/32/781388332.db2.gz LTWLUWLSCVGWTF-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO CC(=O)Nc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001144890854 781388735 /nfs/dbraw/zinc/38/87/35/781388735.db2.gz GLVDFKAJDQLDBD-KKUMJFAQSA-N 1 1 318.381 -1.293 20 0 DAADMO Cc1ccc(C(=O)NCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001144883089 781389105 /nfs/dbraw/zinc/38/91/05/781389105.db2.gz YWNZRWYNPFOXQQ-RDBSUJKOSA-N 1 1 318.381 -1.756 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144898916 781393103 /nfs/dbraw/zinc/39/31/03/781393103.db2.gz DKBTUZDGIPAAPH-HPENLJRUSA-N 1 1 302.327 -3.350 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144900430 781394133 /nfs/dbraw/zinc/39/41/33/781394133.db2.gz RSOCYBFUXOXTAI-WISYIIOYSA-N 1 1 318.370 -2.428 20 0 DAADMO O=C(NCc1[nH+]cn2ccccc12)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906382 781398769 /nfs/dbraw/zinc/39/87/69/781398769.db2.gz DZFZHOLSLKXYQR-QJPTWQEYSA-N 1 1 323.305 -2.405 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144907469 781399753 /nfs/dbraw/zinc/39/97/53/781399753.db2.gz XWUILSGWAMSMRH-NOOOWODRSA-N 1 1 318.370 -2.521 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC000042482984 781407476 /nfs/dbraw/zinc/40/74/76/781407476.db2.gz ACJTVYBFBGKHLF-UHFFFAOYSA-N 1 1 310.354 -1.538 20 0 DAADMO Cn1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262348 781408635 /nfs/dbraw/zinc/40/86/35/781408635.db2.gz DGVFFYQKKRVEOM-FAQVLOEFSA-N 1 1 322.325 -1.868 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091467349 781409158 /nfs/dbraw/zinc/40/91/58/781409158.db2.gz QKDOGPBZNAHKLN-RISCZKNCSA-N 1 1 321.385 -1.458 20 0 DAADMO CC(C=CC[NH3+])=Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171264805 781409272 /nfs/dbraw/zinc/40/92/72/781409272.db2.gz YBCCZZFNUPMNEV-GZPXPHEASA-N 1 1 323.353 -1.557 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146207546 781410415 /nfs/dbraw/zinc/41/04/15/781410415.db2.gz AJHWGSVCJYZCIJ-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)COCc1nncn1C ZINC001146208942 781411718 /nfs/dbraw/zinc/41/17/18/781411718.db2.gz RZDWCJROANYIMR-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO Cc1nonc1CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001146251101 781411862 /nfs/dbraw/zinc/41/18/62/781411862.db2.gz JAFKACPIGUIPGB-UHFFFAOYSA-N 1 1 321.341 -1.052 20 0 DAADMO C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091549362 781413159 /nfs/dbraw/zinc/41/31/59/781413159.db2.gz BBMSLNHXQRTGTG-OTYXRUKQSA-N 1 1 304.354 -1.062 20 0 DAADMO C[C@]12CN(C(=O)c3nccnc3N)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091549362 781413167 /nfs/dbraw/zinc/41/31/67/781413167.db2.gz BBMSLNHXQRTGTG-OTYXRUKQSA-N 1 1 304.354 -1.062 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCNC(N)=O ZINC001146224664 781413757 /nfs/dbraw/zinc/41/37/57/781413757.db2.gz IFSRPOUTUVVOIU-IUCAKERBSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091553343 781413933 /nfs/dbraw/zinc/41/39/33/781413933.db2.gz IWMQEBQAWSAFFS-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCNC(N)=O ZINC001146224665 781413987 /nfs/dbraw/zinc/41/39/87/781413987.db2.gz IFSRPOUTUVVOIU-RKDXNWHRSA-N 1 1 312.378 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565794 781415278 /nfs/dbraw/zinc/41/52/78/781415278.db2.gz ZLXMFWYKPZWMLK-IOASZLSFSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@]2(C)C1 ZINC001091565795 781415847 /nfs/dbraw/zinc/41/58/47/781415847.db2.gz ZLXMFWYKPZWMLK-WWGRRREGSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001146628259 781417030 /nfs/dbraw/zinc/41/70/30/781417030.db2.gz CIKRBOMPEINTIA-MGPQQGTHSA-N 1 1 313.398 -1.847 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)n1 ZINC001146668330 781418179 /nfs/dbraw/zinc/41/81/79/781418179.db2.gz MLXBZYRQBWUGMT-UHFFFAOYSA-N 1 1 322.369 -1.044 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001146914397 781419722 /nfs/dbraw/zinc/41/97/22/781419722.db2.gz LQLJZLDBTRUIAG-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001146719940 781420310 /nfs/dbraw/zinc/42/03/10/781420310.db2.gz XJNDWUCHJSWEKN-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001146719940 781420323 /nfs/dbraw/zinc/42/03/23/781420323.db2.gz XJNDWUCHJSWEKN-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CCOC(=O)C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CNC1 ZINC001160999447 781420947 /nfs/dbraw/zinc/42/09/47/781420947.db2.gz DUJMXSRIUBEHMR-LLVKDONJSA-N 1 1 311.382 -1.146 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001146914398 781421333 /nfs/dbraw/zinc/42/13/33/781421333.db2.gz LQLJZLDBTRUIAG-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)c1nncn1C ZINC001146878512 781422992 /nfs/dbraw/zinc/42/29/92/781422992.db2.gz IXRPJXHRNYUNHE-SECBINFHSA-N 1 1 323.357 -1.476 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146878996 781423027 /nfs/dbraw/zinc/42/30/27/781423027.db2.gz PGQFHCNPFLEYQB-UHFFFAOYSA-N 1 1 309.330 -2.037 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001146982095 781424092 /nfs/dbraw/zinc/42/40/92/781424092.db2.gz XNTHBDGJNZSPJN-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001146951562 781424966 /nfs/dbraw/zinc/42/49/66/781424966.db2.gz SUGDALWUJNAYOQ-SNVBAGLBSA-N 1 1 309.370 -1.580 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)c1cscn1 ZINC001146918378 781425437 /nfs/dbraw/zinc/42/54/37/781425437.db2.gz GVUKWZKSUCOTKL-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146950905 781425464 /nfs/dbraw/zinc/42/54/64/781425464.db2.gz IPFFGSPGIVCROO-SNVBAGLBSA-N 1 1 323.397 -1.144 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999352 781425991 /nfs/dbraw/zinc/42/59/91/781425991.db2.gz JJCFREZSWLDFRL-UHFFFAOYSA-N 1 1 311.386 -1.333 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146998889 781426372 /nfs/dbraw/zinc/42/63/72/781426372.db2.gz CJNAPGDIDPPOON-UHFFFAOYSA-N 1 1 307.358 -1.482 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146998889 781426378 /nfs/dbraw/zinc/42/63/78/781426378.db2.gz CJNAPGDIDPPOON-UHFFFAOYSA-N 1 1 307.358 -1.482 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)NC(N)=O ZINC001146995421 781426772 /nfs/dbraw/zinc/42/67/72/781426772.db2.gz VQPQMSFKUIWUJL-RKDXNWHRSA-N 1 1 322.369 -1.196 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)NC(N)=O ZINC001146995419 781427644 /nfs/dbraw/zinc/42/76/44/781427644.db2.gz VQPQMSFKUIWUJL-DTWKUNHWSA-N 1 1 322.369 -1.196 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cccn3)C2)C1 ZINC001146990494 781427659 /nfs/dbraw/zinc/42/76/59/781427659.db2.gz JIBMRAOTPDKYOA-UHFFFAOYSA-N 1 1 320.353 -1.388 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cccn3)C2)C1 ZINC001146990494 781427662 /nfs/dbraw/zinc/42/76/62/781427662.db2.gz JIBMRAOTPDKYOA-UHFFFAOYSA-N 1 1 320.353 -1.388 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCNC(=O)C1CC1)C2 ZINC001147006117 781428291 /nfs/dbraw/zinc/42/82/91/781428291.db2.gz SNAXUZUHRVXMHU-UHFFFAOYSA-N 1 1 323.397 -1.285 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147005338 781428483 /nfs/dbraw/zinc/42/84/83/781428483.db2.gz FDENILGUFKCZFM-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001147006307 781429317 /nfs/dbraw/zinc/42/93/17/781429317.db2.gz XSZZLJUTSAZMFZ-UHFFFAOYSA-N 1 1 324.385 -1.786 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974749 781429443 /nfs/dbraw/zinc/42/94/43/781429443.db2.gz YDDKPWPLMFYLSJ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974749 781429451 /nfs/dbraw/zinc/42/94/51/781429451.db2.gz YDDKPWPLMFYLSJ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091611782 781431368 /nfs/dbraw/zinc/43/13/68/781431368.db2.gz GYNPIWZLNQKVQN-XUJVJEKNSA-N 1 1 310.398 -1.417 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001147034042 781431927 /nfs/dbraw/zinc/43/19/27/781431927.db2.gz LKWZCWLVPZESIR-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001147034042 781431930 /nfs/dbraw/zinc/43/19/30/781431930.db2.gz LKWZCWLVPZESIR-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001147031118 781431952 /nfs/dbraw/zinc/43/19/52/781431952.db2.gz GRKJOHVWQORLGM-OLZOCXBDSA-N 1 1 314.382 -1.057 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001149426452 781433005 /nfs/dbraw/zinc/43/30/05/781433005.db2.gz AULLLLMZDNKTIE-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO COC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147082995 781433457 /nfs/dbraw/zinc/43/34/57/781433457.db2.gz LMJSDWRBZTZPGM-UHFFFAOYSA-N 1 1 315.370 -1.114 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)s1 ZINC001149428325 781435026 /nfs/dbraw/zinc/43/50/26/781435026.db2.gz XAGJCPXOXPEKMT-UHFFFAOYSA-N 1 1 321.428 -1.056 20 0 DAADMO CCC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147225351 781435446 /nfs/dbraw/zinc/43/54/46/781435446.db2.gz KDKBHOAFTOSHPU-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271743 781436812 /nfs/dbraw/zinc/43/68/12/781436812.db2.gz PNOJBJIEWFFZNL-UHFFFAOYSA-N 1 1 304.376 -2.008 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001147277300 781436901 /nfs/dbraw/zinc/43/69/01/781436901.db2.gz BQDZUGWOMPHYSC-UHFFFAOYSA-N 1 1 306.330 -1.625 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271602 781437077 /nfs/dbraw/zinc/43/70/77/781437077.db2.gz KJOSVIOFONHFPF-QMMMGPOBSA-N 1 1 311.346 -1.713 20 0 DAADMO C[C@]12CN(C(=O)CCn3ccnn3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091626563 781437132 /nfs/dbraw/zinc/43/71/32/781437132.db2.gz JEXRMMYDKORZLZ-RISCZKNCSA-N 1 1 306.370 -1.066 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147277563 781437215 /nfs/dbraw/zinc/43/72/15/781437215.db2.gz JMACFFAOUKNINY-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147263971 781437239 /nfs/dbraw/zinc/43/72/39/781437239.db2.gz CXRAMLHISLQZDV-SNVBAGLBSA-N 1 1 301.347 -1.923 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NC[C@H]1CCCO1 ZINC001147277235 781437460 /nfs/dbraw/zinc/43/74/60/781437460.db2.gz ABKKBOBYKGPJDL-SNVBAGLBSA-N 1 1 310.358 -1.652 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)Cc2nnc[nH]2)C1=O ZINC001147282946 781437539 /nfs/dbraw/zinc/43/75/39/781437539.db2.gz GZMGSHMSZHWHBI-UHFFFAOYSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274138 781437773 /nfs/dbraw/zinc/43/77/73/781437773.db2.gz IFKFTGZZGKFNBG-QMMMGPOBSA-N 1 1 311.342 -2.021 20 0 DAADMO C[C@@H](C[NH2+]CCNC(=O)Cc1nnc[nH]1)CS(C)(=O)=O ZINC001147272085 781437807 /nfs/dbraw/zinc/43/78/07/781437807.db2.gz ZTRFVHRMJWKHTH-VIFPVBQESA-N 1 1 303.388 -1.266 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001147271793 781438029 /nfs/dbraw/zinc/43/80/29/781438029.db2.gz RJHHJHFPYVMIRB-UHFFFAOYSA-N 1 1 309.330 -2.005 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147264999 781438094 /nfs/dbraw/zinc/43/80/94/781438094.db2.gz VDCPQJWVVXJYMY-WDEREUQCSA-N 1 1 315.374 -1.535 20 0 DAADMO Cn1oc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)cc1=O ZINC001091628771 781438693 /nfs/dbraw/zinc/43/86/93/781438693.db2.gz RPXWHBWXQMYCNH-OTYXRUKQSA-N 1 1 308.338 -1.143 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001147356540 781438838 /nfs/dbraw/zinc/43/88/38/781438838.db2.gz YNMHIOAOACYHKI-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001147356540 781438842 /nfs/dbraw/zinc/43/88/42/781438842.db2.gz YNMHIOAOACYHKI-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147363510 781438992 /nfs/dbraw/zinc/43/89/92/781438992.db2.gz FOYRNQCZVSSNKB-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147358546 781439522 /nfs/dbraw/zinc/43/95/22/781439522.db2.gz GLCLGOSCGZBBCT-VIFPVBQESA-N 1 1 310.362 -1.651 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)c1 ZINC001147329088 781439876 /nfs/dbraw/zinc/43/98/76/781439876.db2.gz MZRUJNLIUMZZSF-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)c1 ZINC001147329088 781439880 /nfs/dbraw/zinc/43/98/80/781439880.db2.gz MZRUJNLIUMZZSF-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cncnc3)C2)C1 ZINC001147374911 781440771 /nfs/dbraw/zinc/44/07/71/781440771.db2.gz VDVHASNUWMMWFI-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cncnc3)C2)C1 ZINC001147374911 781440773 /nfs/dbraw/zinc/44/07/73/781440773.db2.gz VDVHASNUWMMWFI-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001147398317 781440929 /nfs/dbraw/zinc/44/09/29/781440929.db2.gz OCRYDVWCZODPQB-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149124155 781441455 /nfs/dbraw/zinc/44/14/55/781441455.db2.gz JPRJBSNGPQTUGX-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149124155 781441463 /nfs/dbraw/zinc/44/14/63/781441463.db2.gz JPRJBSNGPQTUGX-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149124056 781442004 /nfs/dbraw/zinc/44/20/04/781442004.db2.gz IUQMVEZAFDDWCC-JTQLQIEISA-N 1 1 315.374 -2.002 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149124056 781442008 /nfs/dbraw/zinc/44/20/08/781442008.db2.gz IUQMVEZAFDDWCC-JTQLQIEISA-N 1 1 315.374 -2.002 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422602 781443260 /nfs/dbraw/zinc/44/32/60/781443260.db2.gz SQSKLKSUHIGECF-VHSXEESVSA-N 1 1 311.386 -1.159 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001147446333 781443463 /nfs/dbraw/zinc/44/34/63/781443463.db2.gz RVEAZIRHZYFTIL-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001147446333 781443468 /nfs/dbraw/zinc/44/34/68/781443468.db2.gz RVEAZIRHZYFTIL-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCNC(=O)NC)C2)C1 ZINC001147474686 781444320 /nfs/dbraw/zinc/44/43/20/781444320.db2.gz AGLVXYJXTAKSOS-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CCNC(=O)NC)C2)C1 ZINC001147474686 781444326 /nfs/dbraw/zinc/44/43/26/781444326.db2.gz AGLVXYJXTAKSOS-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001147553142 781444891 /nfs/dbraw/zinc/44/48/91/781444891.db2.gz XHOYEUDMOMUVJL-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO Cn1nncc1C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147455872 781445095 /nfs/dbraw/zinc/44/50/95/781445095.db2.gz XMTGMJPRMDQKIK-UHFFFAOYSA-N 1 1 309.370 -1.028 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001147483677 781445493 /nfs/dbraw/zinc/44/54/93/781445493.db2.gz TZKBRKVNQHVJLH-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001147483677 781445498 /nfs/dbraw/zinc/44/54/98/781445498.db2.gz TZKBRKVNQHVJLH-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO O=C(N[C@@H](CO)Cc1cnc[nH]1)c1cc2n(n1)CCNC2=O ZINC001147551303 781445884 /nfs/dbraw/zinc/44/58/84/781445884.db2.gz TXVHBDIPDFXHEQ-SECBINFHSA-N 1 1 304.310 -1.317 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)NC(N)=O)C2)C1 ZINC001147565675 781447151 /nfs/dbraw/zinc/44/71/51/781447151.db2.gz HZGRXGIDKRJKES-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)NC(N)=O)C2)C1 ZINC001147565675 781447158 /nfs/dbraw/zinc/44/71/58/781447158.db2.gz HZGRXGIDKRJKES-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001091641145 781447206 /nfs/dbraw/zinc/44/72/06/781447206.db2.gz HATIIPDHFVTKGG-BFVZDQMLSA-N 1 1 310.354 -1.379 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566577 781447289 /nfs/dbraw/zinc/44/72/89/781447289.db2.gz OJUDYIJRCSWHDU-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566577 781447297 /nfs/dbraw/zinc/44/72/97/781447297.db2.gz OJUDYIJRCSWHDU-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147624726 781447500 /nfs/dbraw/zinc/44/75/00/781447500.db2.gz IMUWCAZEVUSUTM-GFCCVEGCSA-N 1 1 309.370 -1.180 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2)NC(N)=O ZINC001147566218 781447845 /nfs/dbraw/zinc/44/78/45/781447845.db2.gz MEVDHAPKVLDJKY-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](CC(=O)NCC[NH2+]Cc1nnnn1C)N1CCCC1=O ZINC001147606033 781448218 /nfs/dbraw/zinc/44/82/18/781448218.db2.gz ICWRXBJWIXYPFB-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001149433702 781448754 /nfs/dbraw/zinc/44/87/54/781448754.db2.gz ZVOFGFCDKVSNPC-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001147669912 781450307 /nfs/dbraw/zinc/45/03/07/781450307.db2.gz JZTRLVMGOPBKOO-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001147670884 781451550 /nfs/dbraw/zinc/45/15/50/781451550.db2.gz AUBRAXVMAIGDCZ-VIFPVBQESA-N 1 1 304.358 -1.056 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147671160 781451604 /nfs/dbraw/zinc/45/16/04/781451604.db2.gz HGJJSEDXXDQKSA-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2 ZINC001147669220 781451646 /nfs/dbraw/zinc/45/16/46/781451646.db2.gz DKLLXMWJHJDQAB-LLVKDONJSA-N 1 1 314.386 -1.543 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147687898 781452287 /nfs/dbraw/zinc/45/22/87/781452287.db2.gz HTHQDERWVQKAFJ-SSDOTTSWSA-N 1 1 309.330 -2.190 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147687310 781453094 /nfs/dbraw/zinc/45/30/94/781453094.db2.gz CUOZZFRPLZOCIN-KOLCDFICSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147687310 781453095 /nfs/dbraw/zinc/45/30/95/781453095.db2.gz CUOZZFRPLZOCIN-KOLCDFICSA-N 1 1 306.370 -1.106 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCc3n[nH]nc3C2)nn1 ZINC001147687598 781453238 /nfs/dbraw/zinc/45/32/38/781453238.db2.gz FQHBKTIHLQIRKO-VIFPVBQESA-N 1 1 304.358 -1.056 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@]2(C)C1 ZINC001091645654 781453435 /nfs/dbraw/zinc/45/34/35/781453435.db2.gz RMLPDETYWNXBHA-YGRLFVJLSA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099890336 781458242 /nfs/dbraw/zinc/45/82/42/781458242.db2.gz QIJVCXMPWSWWFS-CHWSQXEVSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(=O)Nc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccn1 ZINC001147832525 781458906 /nfs/dbraw/zinc/45/89/06/781458906.db2.gz QKCPMSCCIZFHME-WOPDTQHZSA-N 1 1 305.342 -1.827 20 0 DAADMO Cn1nccc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099890338 781458948 /nfs/dbraw/zinc/45/89/48/781458948.db2.gz QIJVCXMPWSWWFS-QWHCGFSZSA-N 1 1 312.370 -1.520 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147846228 781459462 /nfs/dbraw/zinc/45/94/62/781459462.db2.gz BHDRZVIAJNZLLI-UHFFFAOYSA-N 1 1 307.314 -1.853 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147846228 781459469 /nfs/dbraw/zinc/45/94/69/781459469.db2.gz BHDRZVIAJNZLLI-UHFFFAOYSA-N 1 1 307.314 -1.853 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847335 781459551 /nfs/dbraw/zinc/45/95/51/781459551.db2.gz XFLMNYNUZIDNCU-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847335 781459557 /nfs/dbraw/zinc/45/95/57/781459557.db2.gz XFLMNYNUZIDNCU-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001147971966 781460162 /nfs/dbraw/zinc/46/01/62/781460162.db2.gz CPPQYZZWGGDLKL-UHFFFAOYSA-N 1 1 320.415 -2.043 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001147971939 781461078 /nfs/dbraw/zinc/46/10/78/781461078.db2.gz CJWJJDRVQXNUMX-SNVBAGLBSA-N 1 1 320.415 -2.045 20 0 DAADMO Cn1cncc1CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001147900941 781461594 /nfs/dbraw/zinc/46/15/94/781461594.db2.gz ZNKZFVOFUCLJMQ-UHFFFAOYSA-N 1 1 319.369 -1.010 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001147971936 781461814 /nfs/dbraw/zinc/46/18/14/781461814.db2.gz CJWJJDRVQXNUMX-JTQLQIEISA-N 1 1 320.415 -2.045 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001148025103 781463470 /nfs/dbraw/zinc/46/34/70/781463470.db2.gz UEQLWORBICEMAS-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001148025103 781463473 /nfs/dbraw/zinc/46/34/73/781463473.db2.gz UEQLWORBICEMAS-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148046251 781463589 /nfs/dbraw/zinc/46/35/89/781463589.db2.gz XAPUQAWDEVUMJS-GFCCVEGCSA-N 1 1 311.382 -1.334 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675177 781464828 /nfs/dbraw/zinc/46/48/28/781464828.db2.gz ICCNEYAFOYNCSN-RISCZKNCSA-N 1 1 321.385 -1.458 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167830 781464958 /nfs/dbraw/zinc/46/49/58/781464958.db2.gz KZTSREKZTXAHAG-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167830 781464961 /nfs/dbraw/zinc/46/49/61/781464961.db2.gz KZTSREKZTXAHAG-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149446463 781464984 /nfs/dbraw/zinc/46/49/84/781464984.db2.gz FAHRXTPFGUQIKQ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149446463 781464988 /nfs/dbraw/zinc/46/49/88/781464988.db2.gz FAHRXTPFGUQIKQ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199594 781465115 /nfs/dbraw/zinc/46/51/15/781465115.db2.gz LDKYTDKTMLXYIR-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199503 781465279 /nfs/dbraw/zinc/46/52/79/781465279.db2.gz HNFKNUMZLJHSCE-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199503 781465283 /nfs/dbraw/zinc/46/52/83/781465283.db2.gz HNFKNUMZLJHSCE-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148168388 781465404 /nfs/dbraw/zinc/46/54/04/781465404.db2.gz RBFJKONILRXQMI-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148168388 781465409 /nfs/dbraw/zinc/46/54/09/781465409.db2.gz RBFJKONILRXQMI-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC001148199577 781465606 /nfs/dbraw/zinc/46/56/06/781465606.db2.gz KNASDVDQNDHQDW-UHFFFAOYSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC001148199577 781465610 /nfs/dbraw/zinc/46/56/10/781465610.db2.gz KNASDVDQNDHQDW-UHFFFAOYSA-N 1 1 323.353 -2.006 20 0 DAADMO C[C@]12CN(C(=O)C3CS(=O)(=O)C3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091699440 781466580 /nfs/dbraw/zinc/46/65/80/781466580.db2.gz KXAACAQNOWTVET-YPMHNXCESA-N 1 1 302.396 -1.196 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)C1CC1 ZINC001148180987 781466737 /nfs/dbraw/zinc/46/67/37/781466737.db2.gz GJNLZKVTSUJVSJ-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)C1CC1 ZINC001148180987 781466746 /nfs/dbraw/zinc/46/67/46/781466746.db2.gz GJNLZKVTSUJVSJ-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181987 781467117 /nfs/dbraw/zinc/46/71/17/781467117.db2.gz ZGTJQVZYLPVUFU-UHFFFAOYSA-N 1 1 303.384 -1.559 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181987 781467123 /nfs/dbraw/zinc/46/71/23/781467123.db2.gz ZGTJQVZYLPVUFU-UHFFFAOYSA-N 1 1 303.384 -1.559 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181270 781467419 /nfs/dbraw/zinc/46/74/19/781467419.db2.gz LCPTYITZVABTKB-UHFFFAOYSA-N 1 1 304.372 -2.445 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181270 781467420 /nfs/dbraw/zinc/46/74/20/781467420.db2.gz LCPTYITZVABTKB-UHFFFAOYSA-N 1 1 304.372 -2.445 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148181071 781467434 /nfs/dbraw/zinc/46/74/34/781467434.db2.gz KLHMLQLCRQQGEY-UHFFFAOYSA-N 1 1 318.399 -1.925 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148181071 781467435 /nfs/dbraw/zinc/46/74/35/781467435.db2.gz KLHMLQLCRQQGEY-UHFFFAOYSA-N 1 1 318.399 -1.925 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cccn(C)c1=O)c1nnnn1C ZINC001148296915 781468314 /nfs/dbraw/zinc/46/83/14/781468314.db2.gz FYNGLCKWDIAEDE-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cccn(C)c1=O)c1nnnn1C ZINC001148296914 781469046 /nfs/dbraw/zinc/46/90/46/781469046.db2.gz FYNGLCKWDIAEDE-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO CC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894100 781469822 /nfs/dbraw/zinc/46/98/22/781469822.db2.gz FDWJCSMUJXSSKD-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894100 781469825 /nfs/dbraw/zinc/46/98/25/781469825.db2.gz FDWJCSMUJXSSKD-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001148351796 781470047 /nfs/dbraw/zinc/47/00/47/781470047.db2.gz PJQVWVPLSLIBOD-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001148351796 781470049 /nfs/dbraw/zinc/47/00/49/781470049.db2.gz PJQVWVPLSLIBOD-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)CNS(=O)(=O)N(C)C)C2)C1 ZINC001148363564 781471082 /nfs/dbraw/zinc/47/10/82/781471082.db2.gz JOIJJCDCMXZHSB-UHFFFAOYSA-N 1 1 304.416 -1.063 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462909 781472329 /nfs/dbraw/zinc/47/23/29/781472329.db2.gz RHFMVQCNRKLQSL-QMMMGPOBSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148462909 781472331 /nfs/dbraw/zinc/47/23/31/781472331.db2.gz RHFMVQCNRKLQSL-QMMMGPOBSA-N 1 1 321.341 -1.464 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001148437235 781472341 /nfs/dbraw/zinc/47/23/41/781472341.db2.gz LQZAAYUVPNBZHQ-KOLCDFICSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148469512 781473915 /nfs/dbraw/zinc/47/39/15/781473915.db2.gz LRXVPZNVNLTVMF-UHFFFAOYSA-N 1 1 322.325 -1.327 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148469512 781473917 /nfs/dbraw/zinc/47/39/17/781473917.db2.gz LRXVPZNVNLTVMF-UHFFFAOYSA-N 1 1 322.325 -1.327 20 0 DAADMO O=C(CCn1cnnn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148480712 781473964 /nfs/dbraw/zinc/47/39/64/781473964.db2.gz FURDQHTZFCMZIP-UHFFFAOYSA-N 1 1 324.385 -1.394 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894695 781473986 /nfs/dbraw/zinc/47/39/86/781473986.db2.gz OSVNRJDJEHAGIR-WDEREUQCSA-N 1 1 300.359 -2.190 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC2(C1)CCN([C@H]1CCNC1=O)C2 ZINC001148605764 781475469 /nfs/dbraw/zinc/47/54/69/781475469.db2.gz UQWQWQDCCHOWKJ-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148626119 781476136 /nfs/dbraw/zinc/47/61/36/781476136.db2.gz YKUXDVCJOYNJGS-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@]12CN(C(=O)CN3CCOCC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091742547 781476239 /nfs/dbraw/zinc/47/62/39/781476239.db2.gz ZUEAKOYRXNIZMX-ABAIWWIYSA-N 1 1 324.381 -1.889 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148625544 781476364 /nfs/dbraw/zinc/47/63/64/781476364.db2.gz CMTPIGHUXWQXOB-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148625544 781476365 /nfs/dbraw/zinc/47/63/65/781476365.db2.gz CMTPIGHUXWQXOB-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148748409 781477831 /nfs/dbraw/zinc/47/78/31/781477831.db2.gz RRLPTBMRCXWCGU-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)cc1=O ZINC001091750632 781478114 /nfs/dbraw/zinc/47/81/14/781478114.db2.gz MRHLRKCJIKZTFU-BMIGLBTASA-N 1 1 319.365 -1.341 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148742796 781478246 /nfs/dbraw/zinc/47/82/46/781478246.db2.gz BZJWYGIIRIKPHQ-NSHDSACASA-N 1 1 314.386 -1.414 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001148748412 781478256 /nfs/dbraw/zinc/47/82/56/781478256.db2.gz RSNYXXXCXIYWGW-UHFFFAOYSA-N 1 1 321.385 -1.129 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)CCNC(N)=O)C3)C2)C1=O ZINC001148748146 781478582 /nfs/dbraw/zinc/47/85/82/781478582.db2.gz KDXIMPUDOQDUSE-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001148720998 781479130 /nfs/dbraw/zinc/47/91/30/781479130.db2.gz UULPEVFHKPPNON-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091748402 781479408 /nfs/dbraw/zinc/47/94/08/781479408.db2.gz KKDLDKBVLLNXPN-ZETOZRRWSA-N 1 1 324.381 -1.253 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149037720 781479652 /nfs/dbraw/zinc/47/96/52/781479652.db2.gz CAZSWDZMOMISCY-GXSJLCMTSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149037720 781479654 /nfs/dbraw/zinc/47/96/54/781479654.db2.gz CAZSWDZMOMISCY-GXSJLCMTSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148949998 781480086 /nfs/dbraw/zinc/48/00/86/781480086.db2.gz GCVRASXIPNHTDD-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO COCC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148949998 781480100 /nfs/dbraw/zinc/48/01/00/781480100.db2.gz GCVRASXIPNHTDD-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002333 781480575 /nfs/dbraw/zinc/48/05/75/781480575.db2.gz IECSXYVOCQDMIZ-MNOVXSKESA-N 1 1 313.354 -1.355 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002333 781480578 /nfs/dbraw/zinc/48/05/78/781480578.db2.gz IECSXYVOCQDMIZ-MNOVXSKESA-N 1 1 313.354 -1.355 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149481160 781480742 /nfs/dbraw/zinc/48/07/42/781480742.db2.gz ILISYMNUSIPGKF-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149481160 781480746 /nfs/dbraw/zinc/48/07/46/781480746.db2.gz ILISYMNUSIPGKF-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149037722 781480798 /nfs/dbraw/zinc/48/07/98/781480798.db2.gz CAZSWDZMOMISCY-MWLCHTKSSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149037722 781480799 /nfs/dbraw/zinc/48/07/99/781480799.db2.gz CAZSWDZMOMISCY-MWLCHTKSSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901127 781485051 /nfs/dbraw/zinc/48/50/51/781485051.db2.gz DVJDNHDPCCSFPF-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)[nH]1 ZINC001149577407 781486048 /nfs/dbraw/zinc/48/60/48/781486048.db2.gz ZOFQHWKERLFERM-UHFFFAOYSA-N 1 1 308.346 -1.777 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001091963869 781486179 /nfs/dbraw/zinc/48/61/79/781486179.db2.gz LARWETPMOAVODY-ZETOZRRWSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@]12CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001091828141 781486332 /nfs/dbraw/zinc/48/63/32/781486332.db2.gz FNUJXRJYYUTJMZ-ABAIWWIYSA-N 1 1 322.365 -1.279 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901483 781486644 /nfs/dbraw/zinc/48/66/44/781486644.db2.gz JWRQNPVAZHLVRL-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901485 781486974 /nfs/dbraw/zinc/48/69/74/781486974.db2.gz JWRQNPVAZHLVRL-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@]12CN(C(=O)CN3CCNC(=O)C3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091912708 781487003 /nfs/dbraw/zinc/48/70/03/781487003.db2.gz IJUZZUNNRJZCDL-CJNGLKHVSA-N 1 1 324.425 -1.419 20 0 DAADMO C[C@]12CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091875232 781487193 /nfs/dbraw/zinc/48/71/93/781487193.db2.gz FFOUFBZZGSIRRM-ONERCXAPSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@]2(C)C1 ZINC001091915545 781487349 /nfs/dbraw/zinc/48/73/49/781487349.db2.gz YKWQLVRBJGCBJN-HFAKWTLXSA-N 1 1 323.397 -1.464 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091928182 781487384 /nfs/dbraw/zinc/48/73/84/781487384.db2.gz BRLKGCDEHCWCGS-RNCFNFMXSA-N 1 1 307.358 -1.650 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)c1=O ZINC001091877350 781487503 /nfs/dbraw/zinc/48/75/03/781487503.db2.gz GUYGFNGFAJELII-DOMZBBRYSA-N 1 1 323.397 -1.256 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001091966841 781488585 /nfs/dbraw/zinc/48/85/85/781488585.db2.gz JCKJPGWZBHAQAJ-RULNRJAQSA-N 1 1 309.370 -1.806 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092010030 781488950 /nfs/dbraw/zinc/48/89/50/781488950.db2.gz PXLWDAPSYFMJAG-RSQPEXBXSA-N 1 1 324.381 -1.715 20 0 DAADMO C[C@]12CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092331214 781495856 /nfs/dbraw/zinc/49/58/56/781495856.db2.gz VNTZIUIZRNMRJZ-HFAKWTLXSA-N 1 1 309.366 -1.188 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)n(C)c1=O ZINC001092308675 781496303 /nfs/dbraw/zinc/49/63/03/781496303.db2.gz SVIJITVAXOQSOV-BMIGLBTASA-N 1 1 321.381 -1.397 20 0 DAADMO C[C@]12CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092279055 781496843 /nfs/dbraw/zinc/49/68/43/781496843.db2.gz KWWIJLBYWJTQFI-BMIGLBTASA-N 1 1 319.365 -1.007 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092365691 781498350 /nfs/dbraw/zinc/49/83/50/781498350.db2.gz KIIBTXNMTJPXEC-JTQLQIEISA-N 1 1 317.353 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001092725476 781499447 /nfs/dbraw/zinc/49/94/47/781499447.db2.gz MNPFCAXRJNYEPA-FDYHWXHSSA-N 1 1 312.414 -1.125 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cn[nH]n1 ZINC001092766561 781499945 /nfs/dbraw/zinc/49/99/45/781499945.db2.gz GZUBAGLCGDNUHI-KKZNHRDASA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001092766561 781499954 /nfs/dbraw/zinc/49/99/54/781499954.db2.gz GZUBAGLCGDNUHI-KKZNHRDASA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC001092766561 781499961 /nfs/dbraw/zinc/49/99/61/781499961.db2.gz GZUBAGLCGDNUHI-KKZNHRDASA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001092577300 781500288 /nfs/dbraw/zinc/50/02/88/781500288.db2.gz LJPYJADUVBNJTI-MXWKQRLJSA-N 1 1 312.370 -1.133 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CCC(=O)N1 ZINC001092408987 781500673 /nfs/dbraw/zinc/50/06/73/781500673.db2.gz FSTGYVQLFPPSFP-WDEREUQCSA-N 1 1 319.365 -1.274 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC001092654339 781501610 /nfs/dbraw/zinc/50/16/10/781501610.db2.gz QYTCPCGKHAUYJT-IJLUTSLNSA-N 1 1 310.398 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001092896099 781502188 /nfs/dbraw/zinc/50/21/88/781502188.db2.gz KRCVLWIUJHSRCL-IJLUTSLNSA-N 1 1 310.398 -1.105 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC001092918171 781502398 /nfs/dbraw/zinc/50/23/98/781502398.db2.gz BTTMKKNFLAPPOK-OPRDCNLKSA-N 1 1 307.354 -1.059 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927778 781502516 /nfs/dbraw/zinc/50/25/16/781502516.db2.gz AXHVSRFDXURQSY-FOGDFJRCSA-N 1 1 321.385 -1.319 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092893350 781502812 /nfs/dbraw/zinc/50/28/12/781502812.db2.gz PPISRXZAOQSHNU-KXUCPTDWSA-N 1 1 309.374 -1.358 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001092783595 781503011 /nfs/dbraw/zinc/50/30/11/781503011.db2.gz IPTKGOICNIBMPA-MWLCHTKSSA-N 1 1 321.381 -1.093 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092893352 781503328 /nfs/dbraw/zinc/50/33/28/781503328.db2.gz PPISRXZAOQSHNU-OPRDCNLKSA-N 1 1 309.374 -1.358 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928762 781504448 /nfs/dbraw/zinc/50/44/48/781504448.db2.gz POVSRXUJTNKPOU-FXPVBKGRSA-N 1 1 308.342 -1.065 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928762 781504452 /nfs/dbraw/zinc/50/44/52/781504452.db2.gz POVSRXUJTNKPOU-FXPVBKGRSA-N 1 1 308.342 -1.065 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001093048191 781505023 /nfs/dbraw/zinc/50/50/23/781505023.db2.gz FXYKHHVEVSCICS-GPZIFOQPSA-N 1 1 324.381 -1.349 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001093085349 781505371 /nfs/dbraw/zinc/50/53/71/781505371.db2.gz VVIDPNGHGGZJSV-PSASIEDQSA-N 1 1 307.354 -1.103 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC001093049847 781505458 /nfs/dbraw/zinc/50/54/58/781505458.db2.gz YJCNCMBGAUPMCL-FXPVBKGRSA-N 1 1 324.381 -1.403 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001099923478 781506836 /nfs/dbraw/zinc/50/68/36/781506836.db2.gz DXGZTKAMTSFHIU-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC001093180528 781506931 /nfs/dbraw/zinc/50/69/31/781506931.db2.gz KCBHWUAWJCFIFN-OUAUKWLOSA-N 1 1 321.381 -1.048 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149714497 781507010 /nfs/dbraw/zinc/50/70/10/781507010.db2.gz GOHHURHONBNRDW-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)C1 ZINC001093169614 781507169 /nfs/dbraw/zinc/50/71/69/781507169.db2.gz IRWVXZVHSGWMEE-MRVWCRGKSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001093209844 781507234 /nfs/dbraw/zinc/50/72/34/781507234.db2.gz JAVNQMIFFMFHSI-MRVWCRGKSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001093224942 781508097 /nfs/dbraw/zinc/50/80/97/781508097.db2.gz HBVYFBMVQVAPMM-NXEZZACHSA-N 1 1 310.358 -1.947 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC001093223918 781508137 /nfs/dbraw/zinc/50/81/37/781508137.db2.gz JHXCCRRWZTWDIK-GHMZBOCLSA-N 1 1 324.385 -1.293 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001093239778 781508297 /nfs/dbraw/zinc/50/82/97/781508297.db2.gz XERGDKQYYSXFBA-NXEZZACHSA-N 1 1 319.365 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001093256744 781509082 /nfs/dbraw/zinc/50/90/82/781509082.db2.gz JUCIGYXLZUGHBE-MXWKQRLJSA-N 1 1 311.386 -1.301 20 0 DAADMO Cn1nnc2c1ncnc2NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001093543707 781514122 /nfs/dbraw/zinc/51/41/22/781514122.db2.gz KWLJSALGPMALLQ-SECBINFHSA-N 1 1 320.357 -1.383 20 0 DAADMO Cn1nnc2c1ncnc2NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001093543707 781514128 /nfs/dbraw/zinc/51/41/28/781514128.db2.gz KWLJSALGPMALLQ-SECBINFHSA-N 1 1 320.357 -1.383 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149763269 781517361 /nfs/dbraw/zinc/51/73/61/781517361.db2.gz IUYZJDLJGDNFCK-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO Cn1nnc(C(=O)N2CCC(OC3C[NH+](CCCO)C3)CC2)n1 ZINC001093562212 781517633 /nfs/dbraw/zinc/51/76/33/781517633.db2.gz ADSCJWQSJZOIGH-UHFFFAOYSA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)CC(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098353451 781524297 /nfs/dbraw/zinc/52/42/97/781524297.db2.gz ZFGUZYJKWYFSCA-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094004772 781525989 /nfs/dbraw/zinc/52/59/89/781525989.db2.gz QARAJRCEGRNJEP-OPRDCNLKSA-N 1 1 322.373 -1.924 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094279130 781534973 /nfs/dbraw/zinc/53/49/73/781534973.db2.gz YDHOAJTVCZOYNW-CYBMUJFWSA-N 1 1 308.386 -1.163 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@H]1CNC(=O)N1 ZINC001094315366 781538193 /nfs/dbraw/zinc/53/81/93/781538193.db2.gz KEHFNVPPLIXKLQ-LLVKDONJSA-N 1 1 323.357 -2.185 20 0 DAADMO Cn1cc(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)nn1 ZINC001094288293 781540326 /nfs/dbraw/zinc/54/03/26/781540326.db2.gz LMKZURMMMGHTCK-UHFFFAOYSA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1nncc1C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001094287628 781540481 /nfs/dbraw/zinc/54/04/81/781540481.db2.gz LTOFFPIGNJIFOK-UHFFFAOYSA-N 1 1 320.357 -1.424 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001094335436 781541671 /nfs/dbraw/zinc/54/16/71/781541671.db2.gz GHRXNJJZKRCGOY-SKDRFNHKSA-N 1 1 322.369 -1.590 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2cn(C3CN(CC(N)=O)C3)nn2)C1 ZINC001094339159 781543301 /nfs/dbraw/zinc/54/33/01/781543301.db2.gz USPYYOFVGDZCNR-JTQLQIEISA-N 1 1 321.385 -1.812 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNc2nccn3nnnc23)C1 ZINC001094349243 781543516 /nfs/dbraw/zinc/54/35/16/781543516.db2.gz NCURJOUZWIRVOW-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNc2nccn3nnnc23)C1 ZINC001094349243 781543519 /nfs/dbraw/zinc/54/35/19/781543519.db2.gz NCURJOUZWIRVOW-SNVBAGLBSA-N 1 1 320.357 -1.232 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001099934767 781545182 /nfs/dbraw/zinc/54/51/82/781545182.db2.gz BYFGOIFZZDUUIN-GHMZBOCLSA-N 1 1 313.358 -2.484 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC001094490014 781545349 /nfs/dbraw/zinc/54/53/49/781545349.db2.gz ZYIAGXJALPULGA-UEKVPHQBSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2cncnc2)CC1 ZINC001098355524 781545652 /nfs/dbraw/zinc/54/56/52/781545652.db2.gz UIZKPHAOFLMAPA-UHFFFAOYSA-N 1 1 321.381 -1.210 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001099934769 781545676 /nfs/dbraw/zinc/54/56/76/781545676.db2.gz BYFGOIFZZDUUIN-QWRGUYRKSA-N 1 1 313.358 -2.484 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099935461 781545885 /nfs/dbraw/zinc/54/58/85/781545885.db2.gz OEYHDIDPKIDRHW-RYUDHWBXSA-N 1 1 311.386 -1.068 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cn[nH]c1 ZINC001094707434 781549979 /nfs/dbraw/zinc/54/99/79/781549979.db2.gz LCXUMKPMYWOIFQ-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)CC2=O)C1 ZINC001094715430 781552180 /nfs/dbraw/zinc/55/21/80/781552180.db2.gz LTHNQBJSTOPIRS-WCQYABFASA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094718281 781554518 /nfs/dbraw/zinc/55/45/18/781554518.db2.gz YPLOWKIQZRLHQY-CMPLNLGQSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001094718040 781554982 /nfs/dbraw/zinc/55/49/82/781554982.db2.gz SYKDUOGUGSSRHM-CMPLNLGQSA-N 1 1 324.381 -1.951 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnccn3)CC2=O)C1 ZINC001094698502 781557909 /nfs/dbraw/zinc/55/79/09/781557909.db2.gz DXRVVAHZSLPMGD-MNOVXSKESA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)cn1 ZINC001094704613 781558410 /nfs/dbraw/zinc/55/84/10/781558410.db2.gz XMLQKLXFHZKQCS-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094727884 781561750 /nfs/dbraw/zinc/56/17/50/781561750.db2.gz QJECKDFNQNNDLU-JTQLQIEISA-N 1 1 322.369 -1.207 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730210 781561774 /nfs/dbraw/zinc/56/17/74/781561774.db2.gz UVNOXAZQDPNCFM-ONGXEEELSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 ZINC001094730035 781561963 /nfs/dbraw/zinc/56/19/63/781561963.db2.gz QBOMZKSQRIWARD-GXSJLCMTSA-N 1 1 310.354 -1.096 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2=O)C1 ZINC001094742534 781566052 /nfs/dbraw/zinc/56/60/52/781566052.db2.gz QKBRTWUQVXQHLT-QWRGUYRKSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094746574 781566522 /nfs/dbraw/zinc/56/65/22/781566522.db2.gz WGIJZKSZXZLMHI-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2=O)C1 ZINC001094742535 781566571 /nfs/dbraw/zinc/56/65/71/781566571.db2.gz QKBRTWUQVXQHLT-WDEREUQCSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCCNC3=O)CC2=O)C1 ZINC001094747344 781568030 /nfs/dbraw/zinc/56/80/30/781568030.db2.gz PVVURRLPZFWJCZ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CC(=O)NC3=O)CC2=O)C1 ZINC001094798334 781568866 /nfs/dbraw/zinc/56/88/66/781568866.db2.gz WIDDFZPOQSCHRN-VIFPVBQESA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccncn3)CC2=O)C1 ZINC001094799987 781569132 /nfs/dbraw/zinc/56/91/32/781569132.db2.gz VHYKZFXKLFSTAO-WDEREUQCSA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094799856 781569948 /nfs/dbraw/zinc/56/99/48/781569948.db2.gz RYLNUDMARLATEP-BDAKNGLRSA-N 1 1 309.326 -1.535 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cnon1 ZINC001094799131 781570122 /nfs/dbraw/zinc/57/01/22/781570122.db2.gz FTRNGEVCRTVXBQ-VIFPVBQESA-N 1 1 309.326 -1.533 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094756887 781570237 /nfs/dbraw/zinc/57/02/37/781570237.db2.gz MNEPGZVAFXXWDU-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768198 781570520 /nfs/dbraw/zinc/57/05/20/781570520.db2.gz QRXSGJYTPKRFPU-GXSJLCMTSA-N 1 1 309.370 -1.569 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768108 781570703 /nfs/dbraw/zinc/57/07/03/781570703.db2.gz PDXLAHZVAGZWPZ-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCNC1=O ZINC001094767970 781571417 /nfs/dbraw/zinc/57/14/17/781571417.db2.gz MQXIEENZCINTMY-CMPLNLGQSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCNC1=O ZINC001094767972 781571504 /nfs/dbraw/zinc/57/15/04/781571504.db2.gz MQXIEENZCINTMY-PWSUYJOCSA-N 1 1 324.381 -2.094 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777888 781574633 /nfs/dbraw/zinc/57/46/33/781574633.db2.gz DWSQIOLRJGKOLH-PWSUYJOCSA-N 1 1 322.365 -1.001 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)c3c[nH]c(=O)cn3)CC2=O)C1 ZINC001094778976 781575745 /nfs/dbraw/zinc/57/57/45/781575745.db2.gz QVNISTIVHZATFE-SECBINFHSA-N 1 1 305.338 -1.195 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094783080 781576290 /nfs/dbraw/zinc/57/62/90/781576290.db2.gz LANDOPKNNSHIMS-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094783081 781576409 /nfs/dbraw/zinc/57/64/09/781576409.db2.gz LANDOPKNNSHIMS-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[C@@H](C[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1)OC ZINC001094780582 781576560 /nfs/dbraw/zinc/57/65/60/781576560.db2.gz ZIJUNNNKRZVWQG-ONGXEEELSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[C@@H](C[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1)OC ZINC001094780576 781576592 /nfs/dbraw/zinc/57/65/92/781576592.db2.gz ZIJUNNNKRZVWQG-KOLCDFICSA-N 1 1 312.370 -1.702 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccnnc1 ZINC001094787702 781577858 /nfs/dbraw/zinc/57/78/58/781577858.db2.gz DIIKOHGABRKGNE-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3c[nH]cn3)CC2=O)C1 ZINC001094794704 781578440 /nfs/dbraw/zinc/57/84/40/781578440.db2.gz ZVTNAPAEPHPNJY-CMPLNLGQSA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094789149 781578602 /nfs/dbraw/zinc/57/86/02/781578602.db2.gz WMCLNOHXWQEGGE-ZYHUDNBSSA-N 1 1 319.365 -1.128 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094788826 781578789 /nfs/dbraw/zinc/57/87/89/781578789.db2.gz UXGPOPDYTINSGQ-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)CC2=O)C1 ZINC001094793959 781578813 /nfs/dbraw/zinc/57/88/13/781578813.db2.gz UZFXWUFMFFHTLE-WPRPVWTQSA-N 1 1 323.353 -1.994 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094788823 781579052 /nfs/dbraw/zinc/57/90/52/781579052.db2.gz UXGPOPDYTINSGQ-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3C(=O)CNC3=O)CC2=O)C1 ZINC001094813277 781580096 /nfs/dbraw/zinc/58/00/96/781580096.db2.gz DWPWZJQFCSRMSO-SECBINFHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094815324 781581014 /nfs/dbraw/zinc/58/10/14/781581014.db2.gz RBJPWGZUTSFTAB-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094815326 781581120 /nfs/dbraw/zinc/58/11/20/781581120.db2.gz RBJPWGZUTSFTAB-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094814646 781581260 /nfs/dbraw/zinc/58/12/60/781581260.db2.gz HQNJHYXITVZBPM-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3C(=O)CCC3=O)CC2=O)C1 ZINC001094814983 781581319 /nfs/dbraw/zinc/58/13/19/781581319.db2.gz LEODPNNHMYAPKT-SNVBAGLBSA-N 1 1 322.365 -1.443 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cccnn1 ZINC001094803505 781581603 /nfs/dbraw/zinc/58/16/03/781581603.db2.gz NEVMFFUTFHHPCF-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 ZINC001094804150 781582509 /nfs/dbraw/zinc/58/25/09/781582509.db2.gz UOUBUSAIPNFLLO-WDEREUQCSA-N 1 1 321.381 -1.266 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099936781 781585477 /nfs/dbraw/zinc/58/54/77/781585477.db2.gz DPASXWRAQPLIPH-ZJUUUORDSA-N 1 1 324.403 -3.026 20 0 DAADMO CO[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)C(=O)OC(C)(C)C ZINC001171661488 781585547 /nfs/dbraw/zinc/58/55/47/781585547.db2.gz CXRXXNZPSLKBAU-YGRLFVJLSA-N 1 1 318.370 -1.190 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC(N)=O)C3)n1 ZINC001094881880 781589932 /nfs/dbraw/zinc/58/99/32/781589932.db2.gz CAADPZUZHOWOGT-AEJSXWLSSA-N 1 1 307.358 -1.445 20 0 DAADMO COc1cccc2c1C[C@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)CO2 ZINC001173163937 781592565 /nfs/dbraw/zinc/59/25/65/781592565.db2.gz ZHQMIGRVCHJEHH-FLCCKXIQSA-N 1 1 305.382 -1.009 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098358218 781592916 /nfs/dbraw/zinc/59/29/16/781592916.db2.gz HEEQLEUNOQDXQC-CYBMUJFWSA-N 1 1 301.387 -1.226 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CC[N@H+](CC)C1 ZINC001173358392 781593538 /nfs/dbraw/zinc/59/35/38/781593538.db2.gz JKAUZVHCVIJPTN-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CC[N@@H+](CC)C1 ZINC001173358392 781593542 /nfs/dbraw/zinc/59/35/42/781593542.db2.gz JKAUZVHCVIJPTN-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001098358484 781593627 /nfs/dbraw/zinc/59/36/27/781593627.db2.gz WEVCXXAUAKWQOB-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095158153 781594183 /nfs/dbraw/zinc/59/41/83/781594183.db2.gz IDVKSMWROGRZCC-RCWTZXSCSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095158153 781594186 /nfs/dbraw/zinc/59/41/86/781594186.db2.gz IDVKSMWROGRZCC-RCWTZXSCSA-N 1 1 305.342 -1.717 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095155126 781594500 /nfs/dbraw/zinc/59/45/00/781594500.db2.gz GWJYXJCEKMUQRO-USZNOCQGSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095155126 781594508 /nfs/dbraw/zinc/59/45/08/781594508.db2.gz GWJYXJCEKMUQRO-USZNOCQGSA-N 1 1 321.385 -1.129 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095158450 781594550 /nfs/dbraw/zinc/59/45/50/781594550.db2.gz SHFDMEJIOKOWEU-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095158450 781594558 /nfs/dbraw/zinc/59/45/58/781594558.db2.gz SHFDMEJIOKOWEU-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO COCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001150194644 781595425 /nfs/dbraw/zinc/59/54/25/781595425.db2.gz UYKOQAGKTAZSST-VXGBXAGGSA-N 1 1 314.386 -1.089 20 0 DAADMO COCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001150194641 781595501 /nfs/dbraw/zinc/59/55/01/781595501.db2.gz UYKOQAGKTAZSST-NEPJUHHUSA-N 1 1 314.386 -1.089 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217621 781595734 /nfs/dbraw/zinc/59/57/34/781595734.db2.gz ADDJPMFXSBSOOT-DTWKUNHWSA-N 1 1 312.326 -2.516 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217621 781595741 /nfs/dbraw/zinc/59/57/41/781595741.db2.gz ADDJPMFXSBSOOT-DTWKUNHWSA-N 1 1 312.326 -2.516 20 0 DAADMO Cn1nncc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098358494 781596409 /nfs/dbraw/zinc/59/64/09/781596409.db2.gz XFCGNYRWTAXCRJ-UHFFFAOYSA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)nn1 ZINC001150332393 781596827 /nfs/dbraw/zinc/59/68/27/781596827.db2.gz RVMCYVAKOXHPFH-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098359302 781597017 /nfs/dbraw/zinc/59/70/17/781597017.db2.gz NLQNOGLZNMLDPL-LBPRGKRZSA-N 1 1 315.370 -1.238 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)nn1C ZINC001150332411 781597380 /nfs/dbraw/zinc/59/73/80/781597380.db2.gz SXCGUXKCIYTPJW-UHFFFAOYSA-N 1 1 308.342 -1.514 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)c1nnn(C)n1 ZINC001174757960 781599351 /nfs/dbraw/zinc/59/93/51/781599351.db2.gz JEGAODBOSUVMRO-VIFPVBQESA-N 1 1 322.377 -1.188 20 0 DAADMO CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)CN1CCOCC1 ZINC001176162693 781613368 /nfs/dbraw/zinc/61/33/68/781613368.db2.gz YECOJFYGJFVVGT-GFCCVEGCSA-N 1 1 300.403 -1.203 20 0 DAADMO O=C(CN1CCCC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176110431 781613759 /nfs/dbraw/zinc/61/37/59/781613759.db2.gz PCWZIXXLIMSNCV-UHFFFAOYSA-N 1 1 311.386 -1.270 20 0 DAADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001176335445 781616559 /nfs/dbraw/zinc/61/65/59/781616559.db2.gz VKPCGWXHSSZXRV-SNVBAGLBSA-N 1 1 317.371 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001176335676 781616789 /nfs/dbraw/zinc/61/67/89/781616789.db2.gz FXUULQOXFLRYAJ-UHFFFAOYSA-N 1 1 305.360 -1.477 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176361466 781618960 /nfs/dbraw/zinc/61/89/60/781618960.db2.gz CYNQOVDPNXSFKE-UHFFFAOYSA-N 1 1 318.403 -1.371 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001176585159 781620765 /nfs/dbraw/zinc/62/07/65/781620765.db2.gz KLVFKRFJOOWFPI-SECBINFHSA-N 1 1 316.387 -1.617 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001150619610 781621898 /nfs/dbraw/zinc/62/18/98/781621898.db2.gz CEQKEZDIYLTAIK-ZDUSSCGKSA-N 1 1 324.381 -1.249 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2cnsn2)nn1 ZINC001176955940 781627344 /nfs/dbraw/zinc/62/73/44/781627344.db2.gz FYVRHVBTRHBARZ-UHFFFAOYSA-N 1 1 324.370 -1.475 20 0 DAADMO Cc1cc(C(F)F)n(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001177010620 781628541 /nfs/dbraw/zinc/62/85/41/781628541.db2.gz SKUFPOBXODSHPX-USWWRNFRSA-N 1 1 315.328 -1.352 20 0 DAADMO Cc1cc(C(F)F)n(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001177010622 781629319 /nfs/dbraw/zinc/62/93/19/781629319.db2.gz SKUFPOBXODSHPX-ZMLRMANQSA-N 1 1 315.328 -1.352 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCOC)[C@H]2C1 ZINC001177024520 781630747 /nfs/dbraw/zinc/63/07/47/781630747.db2.gz IKLMJZINLJREGO-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOC)[C@H]2C1 ZINC001177024520 781630753 /nfs/dbraw/zinc/63/07/53/781630753.db2.gz IKLMJZINLJREGO-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 ZINC001177143690 781632613 /nfs/dbraw/zinc/63/26/13/781632613.db2.gz HAYMNIBNHKFESS-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 ZINC001177143690 781632620 /nfs/dbraw/zinc/63/26/20/781632620.db2.gz HAYMNIBNHKFESS-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691729 781634522 /nfs/dbraw/zinc/63/45/22/781634522.db2.gz DZZDKPVRXAVKPW-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1ccnc(SCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001177502223 781636349 /nfs/dbraw/zinc/63/63/49/781636349.db2.gz RLISCULVFZIFRG-VWYCJHECSA-N 1 1 309.399 -1.604 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150731055 781639953 /nfs/dbraw/zinc/63/99/53/781639953.db2.gz BKSURACQINDQLH-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO COc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)c1 ZINC001178043576 781640496 /nfs/dbraw/zinc/64/04/96/781640496.db2.gz MYWCNOCSSFHXQX-FRRDWIJNSA-N 1 1 318.381 -1.359 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178069885 781640757 /nfs/dbraw/zinc/64/07/57/781640757.db2.gz PMJVHQPYUQKPNW-QXEWZRGKSA-N 1 1 309.374 -1.186 20 0 DAADMO COc1cccc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)n1 ZINC001178053373 781641530 /nfs/dbraw/zinc/64/15/30/781641530.db2.gz JKPFRIZERMLWJD-FRRDWIJNSA-N 1 1 318.381 -1.359 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)c1nnnn1C ZINC001178093926 781642414 /nfs/dbraw/zinc/64/24/14/781642414.db2.gz TVJHCBYYCRCBIY-VGMNWLOBSA-N 1 1 310.362 -1.482 20 0 DAADMO Cc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001178209737 781644161 /nfs/dbraw/zinc/64/41/61/781644161.db2.gz HVPAIIVECNFADN-DRZSPHRISA-N 1 1 302.382 -1.059 20 0 DAADMO Cc1ccc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)nc1 ZINC001178145780 781644496 /nfs/dbraw/zinc/64/44/96/781644496.db2.gz WFHMUYIBOPOPPJ-AGIUHOORSA-N 1 1 302.382 -1.059 20 0 DAADMO COc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001178180849 781644569 /nfs/dbraw/zinc/64/45/69/781644569.db2.gz BQVWJXLMHZWLOV-KGYLQXTDSA-N 1 1 318.381 -1.359 20 0 DAADMO Cc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001178209740 781644781 /nfs/dbraw/zinc/64/47/81/781644781.db2.gz HVPAIIVECNFADN-KGYLQXTDSA-N 1 1 302.382 -1.059 20 0 DAADMO COc1cnc(F)c(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001178432689 781645924 /nfs/dbraw/zinc/64/59/24/781645924.db2.gz UETCHQSTVZEHFX-WXHSDQCUSA-N 1 1 310.333 -1.709 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)[C@H]1C ZINC001178401036 781646080 /nfs/dbraw/zinc/64/60/80/781646080.db2.gz GYEKNMGWXVWVTM-ONGXEEELSA-N 1 1 322.369 -1.013 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C)c1nnnn1C ZINC001178563489 781649389 /nfs/dbraw/zinc/64/93/89/781649389.db2.gz LLNBDQMUPWRCCY-KATARQTJSA-N 1 1 324.389 -1.093 20 0 DAADMO COC(=O)CC[C@H](NC(=O)CN1CC[NH+](C)CC1)C(N)=O ZINC001178956576 781653577 /nfs/dbraw/zinc/65/35/77/781653577.db2.gz VMVFNCWTWOSWCR-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC3(CC2)COCC(=O)N3)CC1 ZINC001178949748 781653778 /nfs/dbraw/zinc/65/37/78/781653778.db2.gz UWVUGPZHXHJJJL-UHFFFAOYSA-N 1 1 310.398 -1.259 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)CN1CC[NH+](C)CC1 ZINC001178956418 781654681 /nfs/dbraw/zinc/65/46/81/781654681.db2.gz RWLSOQYAXXDNAW-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179284762 781657083 /nfs/dbraw/zinc/65/70/83/781657083.db2.gz AMMZWODXFPADGF-CIUDSAMLSA-N 1 1 323.357 -1.111 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001179503153 781660359 /nfs/dbraw/zinc/66/03/59/781660359.db2.gz QPWNLHCGNOTWHJ-GARJFASQSA-N 1 1 312.374 -1.050 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2nnc3ccccc32)[C@H]2NCN[C@@H]21 ZINC001179998128 781664451 /nfs/dbraw/zinc/66/44/51/781664451.db2.gz KUHJRHPHSWVBOL-MGPQQGTHSA-N 1 1 316.369 -1.660 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2nnc3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001179998127 781665495 /nfs/dbraw/zinc/66/54/95/781665495.db2.gz KUHJRHPHSWVBOL-MCIONIFRSA-N 1 1 316.369 -1.660 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2ncc3ccccc32)[C@H]2NCN[C@@H]21 ZINC001180065890 781666778 /nfs/dbraw/zinc/66/67/78/781666778.db2.gz RCDRVYUFXYESIT-RBSFLKMASA-N 1 1 315.381 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)[C@@H]2NCN[C@H]21 ZINC001180190881 781668183 /nfs/dbraw/zinc/66/81/83/781668183.db2.gz KGHPTRAMGMVYEF-DEQVHRJGSA-N 1 1 317.349 -1.193 20 0 DAADMO COc1cc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1F ZINC001180429931 781672053 /nfs/dbraw/zinc/67/20/53/781672053.db2.gz QXKAMPVNGYBQBO-MELADBBJSA-N 1 1 309.345 -1.104 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001180436520 781672478 /nfs/dbraw/zinc/67/24/78/781672478.db2.gz BDLUIFQWAVVMHQ-QMTHXVAHSA-N 1 1 323.401 -1.080 20 0 DAADMO C[NH+](C)C[C@@H]1COCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001180592516 781673379 /nfs/dbraw/zinc/67/33/79/781673379.db2.gz FTAUEWLFMZZBFV-GFCCVEGCSA-N 1 1 319.427 -1.494 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COCC(F)(F)C(F)F)[C@@H]2NCN[C@H]21 ZINC001180644581 781676392 /nfs/dbraw/zinc/67/63/92/781676392.db2.gz CVEMDFUSUXNRHF-RNJXMRFFSA-N 1 1 315.271 -1.578 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000264605050 781676821 /nfs/dbraw/zinc/67/68/21/781676821.db2.gz YHYAMKDFDFRDOR-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001180762818 781677712 /nfs/dbraw/zinc/67/77/12/781677712.db2.gz FZDJBQBYMOHEFB-AGNBLMTLSA-N 1 1 306.315 -3.767 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001180762818 781677713 /nfs/dbraw/zinc/67/77/13/781677713.db2.gz FZDJBQBYMOHEFB-AGNBLMTLSA-N 1 1 306.315 -3.767 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001180762821 781677868 /nfs/dbraw/zinc/67/78/68/781677868.db2.gz FZDJBQBYMOHEFB-MIDKXNQYSA-N 1 1 306.315 -3.767 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001180762821 781677875 /nfs/dbraw/zinc/67/78/75/781677875.db2.gz FZDJBQBYMOHEFB-MIDKXNQYSA-N 1 1 306.315 -3.767 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(C)=O ZINC001180760569 781677908 /nfs/dbraw/zinc/67/79/08/781677908.db2.gz WUNCRBOXWDWLPZ-VXGBXAGGSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(C)=O ZINC001180760569 781677913 /nfs/dbraw/zinc/67/79/13/781677913.db2.gz WUNCRBOXWDWLPZ-VXGBXAGGSA-N 1 1 313.354 -1.451 20 0 DAADMO COCCN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1=O ZINC001180895725 781680153 /nfs/dbraw/zinc/68/01/53/781680153.db2.gz PKTNDCOMKOISAS-QTKMDUPCSA-N 1 1 312.374 -3.000 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897553 781680233 /nfs/dbraw/zinc/68/02/33/781680233.db2.gz MFWFHSQRLGYUEU-SECBINFHSA-N 1 1 310.362 -1.387 20 0 DAADMO COCCN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1=O ZINC001180895727 781680382 /nfs/dbraw/zinc/68/03/82/781680382.db2.gz PKTNDCOMKOISAS-YJQGPUDQSA-N 1 1 312.374 -3.000 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897738 781680494 /nfs/dbraw/zinc/68/04/94/781680494.db2.gz PTLGSKUUEHVCBK-SNVBAGLBSA-N 1 1 309.374 -1.035 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH+]2CC3(COC3)C2)CC1=O ZINC001180894625 781680848 /nfs/dbraw/zinc/68/08/48/781680848.db2.gz GWXFUOIEWLBZCE-LBPRGKRZSA-N 1 1 311.382 -1.070 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@H]2c3ccccc3NC2=O)[C@H]2NCN[C@@H]21 ZINC001180957524 781681916 /nfs/dbraw/zinc/68/19/16/781681916.db2.gz FFKQLGFCGNNVNJ-KQURDKLPSA-N 1 1 316.365 -1.369 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001181131085 781684143 /nfs/dbraw/zinc/68/41/43/781684143.db2.gz KOJYCYLMATZRMF-MWLCHTKSSA-N 1 1 309.374 -1.060 20 0 DAADMO COC(=O)c1ccccc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181230646 781685929 /nfs/dbraw/zinc/68/59/29/781685929.db2.gz HPLLPMOCKDAWFS-MELADBBJSA-N 1 1 319.365 -1.465 20 0 DAADMO CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181341856 781687298 /nfs/dbraw/zinc/68/72/98/781687298.db2.gz BBQFOISHLGJRLX-XGEHTFHBSA-N 1 1 324.307 -2.037 20 0 DAADMO CN(C)C(=O)/C=C/C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001181422229 781687691 /nfs/dbraw/zinc/68/76/91/781687691.db2.gz QNGNUMCTNFUYPI-UCNGNXAWSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)/C=C\C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001181422228 781688018 /nfs/dbraw/zinc/68/80/18/781688018.db2.gz QNGNUMCTNFUYPI-NBQFXCCRSA-N 1 1 311.382 -1.027 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CC2CCS(=O)(=O)CC2)[C@H]2NCN[C@@H]21 ZINC001181543071 781690036 /nfs/dbraw/zinc/69/00/36/781690036.db2.gz BYDXTNDPYCCKAL-IJLUTSLNSA-N 1 1 317.415 -2.280 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CC(O)(c3ccccc3)C2)[C@H]2NCN[C@H]21 ZINC001181661767 781690398 /nfs/dbraw/zinc/69/03/98/781690398.db2.gz HFXFRRVPISZUMZ-MBCBEAFJSA-N 1 1 317.393 -1.197 20 0 DAADMO COc1ccc(F)cc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181695322 781691364 /nfs/dbraw/zinc/69/13/64/781691364.db2.gz VLDWTBGDOIFHHZ-RDBSUJKOSA-N 1 1 309.345 -1.104 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110248874 781694064 /nfs/dbraw/zinc/69/40/64/781694064.db2.gz MQNBNPLKUXJRMG-WISYIIOYSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110248874 781694070 /nfs/dbraw/zinc/69/40/70/781694070.db2.gz MQNBNPLKUXJRMG-WISYIIOYSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110248666 781694789 /nfs/dbraw/zinc/69/47/89/781694789.db2.gz DCDSDQGOLYQHIP-UPJWGTAASA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001181921705 781695087 /nfs/dbraw/zinc/69/50/87/781695087.db2.gz OAIKQQQRXAFNAA-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO CN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)Oc2ccccc21 ZINC001181970510 781695732 /nfs/dbraw/zinc/69/57/32/781695732.db2.gz NFOHCJKYIXHIHI-YIYPIFLZSA-N 1 1 318.381 -1.597 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001182000330 781696534 /nfs/dbraw/zinc/69/65/34/781696534.db2.gz KIKICGCCGUZKKW-KXEMTNKZSA-N 1 1 318.370 -2.223 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001181982756 781696589 /nfs/dbraw/zinc/69/65/89/781696589.db2.gz RGQYDUDISZFOAX-HXZMXFDXSA-N 1 1 318.370 -2.367 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2[nH]nc3ccccc32)[C@H]2NCN[C@H]21 ZINC001182064363 781697644 /nfs/dbraw/zinc/69/76/44/781697644.db2.gz IPYKGGFOHMMILV-BFHYXJOUSA-N 1 1 301.354 -1.376 20 0 DAADMO CC(=O)N[C@@H](CCO)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001182140182 781701221 /nfs/dbraw/zinc/70/12/21/781701221.db2.gz WIIWVBYSPTZALD-ZDUSSCGKSA-N 1 1 300.403 -1.373 20 0 DAADMO CCCCOCCOCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182213814 781702649 /nfs/dbraw/zinc/70/26/49/781702649.db2.gz LPZSBWFOMJEFCH-AVGNSLFASA-N 1 1 301.391 -1.661 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110272455 781703663 /nfs/dbraw/zinc/70/36/63/781703663.db2.gz ZTFPSGSKPCIXPF-MXWKQRLJSA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110272179 781703935 /nfs/dbraw/zinc/70/39/35/781703935.db2.gz NTOJDHKIFHQBDZ-IMSYWVGJSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110272179 781703940 /nfs/dbraw/zinc/70/39/40/781703940.db2.gz NTOJDHKIFHQBDZ-IMSYWVGJSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110273228 781704295 /nfs/dbraw/zinc/70/42/95/781704295.db2.gz GKZJUQSXIKXNKK-UTUOFQBUSA-N 1 1 323.397 -1.098 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110273228 781704302 /nfs/dbraw/zinc/70/43/02/781704302.db2.gz GKZJUQSXIKXNKK-UTUOFQBUSA-N 1 1 323.397 -1.098 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110273653 781704679 /nfs/dbraw/zinc/70/46/79/781704679.db2.gz ZERHAJUVBBWFIX-DBIOUOCHSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110273653 781704683 /nfs/dbraw/zinc/70/46/83/781704683.db2.gz ZERHAJUVBBWFIX-DBIOUOCHSA-N 1 1 311.386 -1.147 20 0 DAADMO COc1ccc2c(c1)C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)O2 ZINC001182357028 781705611 /nfs/dbraw/zinc/70/56/11/781705611.db2.gz QGDHUJHFUNBZJX-MQYQWHSLSA-N 1 1 319.365 -1.482 20 0 DAADMO COc1ccc2c(c1)C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)O2 ZINC001182357037 781705700 /nfs/dbraw/zinc/70/57/00/781705700.db2.gz QGDHUJHFUNBZJX-ZOBORPQBSA-N 1 1 319.365 -1.482 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001182343147 781705785 /nfs/dbraw/zinc/70/57/85/781705785.db2.gz FVFQGUILNCIXQP-NXEZZACHSA-N 1 1 324.389 -1.219 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)[C@@H]2NCN[C@H]21 ZINC001182461541 781706794 /nfs/dbraw/zinc/70/67/94/781706794.db2.gz KGWTYXZXJUZURX-MGAJPHDKSA-N 1 1 308.386 -2.236 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)[C@H]2NCN[C@H]21 ZINC001182461539 781707245 /nfs/dbraw/zinc/70/72/45/781707245.db2.gz KGWTYXZXJUZURX-GWNIPJSYSA-N 1 1 308.386 -2.236 20 0 DAADMO Cc1[nH]c2ncccc2c1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182618963 781710957 /nfs/dbraw/zinc/71/09/57/781710957.db2.gz GLLAFSPOEYEFIE-VNHYZAJKSA-N 1 1 315.381 -1.067 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3c(c2)OCC3)[C@@H]2NCN[C@@H]21 ZINC001182652977 781711079 /nfs/dbraw/zinc/71/10/79/781711079.db2.gz KCEGELZGKDRDML-KFWWJZLASA-N 1 1 303.366 -1.317 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182802051 781711676 /nfs/dbraw/zinc/71/16/76/781711676.db2.gz HHSQJOXGTAOEER-NXEZZACHSA-N 1 1 311.342 -1.089 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001182765761 781711705 /nfs/dbraw/zinc/71/17/05/781711705.db2.gz TUKHRWRNBDSKJH-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C23CCC(CO)(CC2)CC3)[C@H]2NCN[C@H]21 ZINC001182709802 781712350 /nfs/dbraw/zinc/71/23/50/781712350.db2.gz SXBKXUSSMBUMEQ-BAAMJQIGSA-N 1 1 309.414 -1.162 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cnc3ccccn23)[C@@H]2NCN[C@@H]21 ZINC001182840239 781713938 /nfs/dbraw/zinc/71/39/38/781713938.db2.gz JMLUNCIMFATDKX-MCIONIFRSA-N 1 1 301.354 -1.604 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cnc3ccccn23)[C@H]2NCN[C@H]21 ZINC001182840236 781714370 /nfs/dbraw/zinc/71/43/70/781714370.db2.gz JMLUNCIMFATDKX-BFHYXJOUSA-N 1 1 301.354 -1.604 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nnnn1C ZINC001151300410 781715286 /nfs/dbraw/zinc/71/52/86/781715286.db2.gz LIQMXRGTSCLXQN-JGVFFNPUSA-N 1 1 317.375 -2.331 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)nn1C ZINC001151301855 781715836 /nfs/dbraw/zinc/71/58/36/781715836.db2.gz XCXIDEOPYVOPLN-NSHDSACASA-N 1 1 315.399 -1.374 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)nn1C ZINC001151301854 781716556 /nfs/dbraw/zinc/71/65/56/781716556.db2.gz XCXIDEOPYVOPLN-LLVKDONJSA-N 1 1 315.399 -1.374 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nnnn1C ZINC001151300411 781717040 /nfs/dbraw/zinc/71/70/40/781717040.db2.gz LIQMXRGTSCLXQN-SFYZADRCSA-N 1 1 317.375 -2.331 20 0 DAADMO Cc1cc(N(C(N)=[NH2+])C(=O)C2CN(S(C)(=O)=O)C2)n[nH]1 ZINC001183028367 781719541 /nfs/dbraw/zinc/71/95/41/781719541.db2.gz SKAWZVSZYKBRMO-UHFFFAOYSA-N 1 1 300.344 -1.164 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001183033004 781719794 /nfs/dbraw/zinc/71/97/94/781719794.db2.gz MTLMJDIECRUNBW-LLVKDONJSA-N 1 1 324.385 -1.044 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)CNC(=O)NC)C2)n1C ZINC001183055179 781721059 /nfs/dbraw/zinc/72/10/59/781721059.db2.gz SQVMTENJQFQHDF-SNVBAGLBSA-N 1 1 323.401 -1.003 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001183059714 781722663 /nfs/dbraw/zinc/72/26/63/781722663.db2.gz GXPOQXXTCGVJEF-RKDXNWHRSA-N 1 1 310.362 -1.609 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001183141975 781722947 /nfs/dbraw/zinc/72/29/47/781722947.db2.gz ZADVXQUBNDFXPD-XKNYDFJKSA-N 1 1 300.388 -2.573 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001110333832 781725218 /nfs/dbraw/zinc/72/52/18/781725218.db2.gz SFYARTOEAMRQRK-ZNSHCXBVSA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001110333832 781725223 /nfs/dbraw/zinc/72/52/23/781725223.db2.gz SFYARTOEAMRQRK-ZNSHCXBVSA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)[C@H]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001183434814 781726273 /nfs/dbraw/zinc/72/62/73/781726273.db2.gz XULWECJBKBPTAW-SVNGYHJRSA-N 1 1 311.386 -1.515 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CCS(C)(=O)=O)C2)n1 ZINC001183676179 781728907 /nfs/dbraw/zinc/72/89/07/781728907.db2.gz FPVTWLKXFHWHJP-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO CC(=O)N[C@H](C(=O)NCCN1CCC[N@@H+](C)CC1)[C@@H](C)O ZINC001183702678 781731671 /nfs/dbraw/zinc/73/16/71/781731671.db2.gz IUFMLRYIHSFONU-YPMHNXCESA-N 1 1 300.403 -1.374 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001183764332 781734969 /nfs/dbraw/zinc/73/49/69/781734969.db2.gz YNQMXKCWBVNLGZ-PWSUYJOCSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(C)(C)C(=O)NCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001183945595 781737453 /nfs/dbraw/zinc/73/74/53/781737453.db2.gz XPNVIWWDOJZTBV-WOPDTQHZSA-N 1 1 312.418 -1.552 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2noc3cc(O)ccc23)[C@@H]2NCN[C@H]21 ZINC001183992831 781739036 /nfs/dbraw/zinc/73/90/36/781739036.db2.gz MZYDROUNDZPJMT-MJBXVCDLSA-N 1 1 318.337 -1.405 20 0 DAADMO COC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)C(C)C ZINC001183950291 781740076 /nfs/dbraw/zinc/74/00/76/781740076.db2.gz MSUFEYGRAGGQAN-JXUBOQSCSA-N 1 1 300.363 -2.114 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H](O)Cc2cccc(F)c2)[C@H]2NCN[C@H]21 ZINC001184151811 781743718 /nfs/dbraw/zinc/74/37/18/781743718.db2.gz VGNQUNKXGJLYIK-WUHRBBMRSA-N 1 1 309.345 -1.752 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001184241818 781746498 /nfs/dbraw/zinc/74/64/98/781746498.db2.gz OMHPATNPTKZTIH-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001184241819 781746717 /nfs/dbraw/zinc/74/67/17/781746717.db2.gz OMHPATNPTKZTIH-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCOc3ccccc3O2)[C@H]2NCN[C@@H]21 ZINC001184724887 781750270 /nfs/dbraw/zinc/75/02/70/781750270.db2.gz MACDEWJLOIHWKR-REWJHTLYSA-N 1 1 319.365 -1.264 20 0 DAADMO CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)CNC(=O)COC ZINC001151425756 781753953 /nfs/dbraw/zinc/75/39/53/781753953.db2.gz YWOMPZQIDSAVDH-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)CNC(=O)COC ZINC001151425756 781753959 /nfs/dbraw/zinc/75/39/59/781753959.db2.gz YWOMPZQIDSAVDH-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001185266991 781756861 /nfs/dbraw/zinc/75/68/61/781756861.db2.gz KJUNKVNSLSYUIC-GFCCVEGCSA-N 1 1 324.381 -1.710 20 0 DAADMO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001185244488 781756917 /nfs/dbraw/zinc/75/69/17/781756917.db2.gz LEZKYDZCKOUDAM-NSHDSACASA-N 1 1 313.383 -1.087 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001185244488 781756922 /nfs/dbraw/zinc/75/69/22/781756922.db2.gz LEZKYDZCKOUDAM-NSHDSACASA-N 1 1 313.383 -1.087 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ncncn2)CC1 ZINC001185255681 781757652 /nfs/dbraw/zinc/75/76/52/781757652.db2.gz AGASUABBYAVHAX-LBPRGKRZSA-N 1 1 305.386 -1.234 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185266839 781757905 /nfs/dbraw/zinc/75/79/05/781757905.db2.gz HNMCBFBMOAOSMY-QWHCGFSZSA-N 1 1 323.397 -1.134 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001185289249 781759126 /nfs/dbraw/zinc/75/91/26/781759126.db2.gz KWPCQRJNTREHEX-SECBINFHSA-N 1 1 317.371 -1.171 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC001185270087 781759877 /nfs/dbraw/zinc/75/98/77/781759877.db2.gz SVYVTQUCDIPILA-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO COc1nc(OC)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1C ZINC001185443827 781761050 /nfs/dbraw/zinc/76/10/50/781761050.db2.gz ZBBSWXJKBSTFFL-OUAUKWLOSA-N 1 1 322.369 -1.460 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1)C(=O)NC(N)=O ZINC001185749118 781765387 /nfs/dbraw/zinc/76/53/87/781765387.db2.gz AUTLDVOYSWMCGQ-WCBMZHEXSA-N 1 1 323.357 -1.489 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1)C(=O)NC(N)=O ZINC001185749118 781765397 /nfs/dbraw/zinc/76/53/97/781765397.db2.gz AUTLDVOYSWMCGQ-WCBMZHEXSA-N 1 1 323.357 -1.489 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185924767 781770249 /nfs/dbraw/zinc/77/02/49/781770249.db2.gz LDSLPLIJTOZJEU-GFCCVEGCSA-N 1 1 324.385 -1.340 20 0 DAADMO CNC(=O)CC(=O)N1CCC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185924768 781770795 /nfs/dbraw/zinc/77/07/95/781770795.db2.gz LDSLPLIJTOZJEU-LBPRGKRZSA-N 1 1 324.385 -1.340 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@H](O)C2)CCN1C(C)=O ZINC001186044442 781771919 /nfs/dbraw/zinc/77/19/19/781771919.db2.gz HBCVJPWOFYCNOI-NWDGAFQWSA-N 1 1 313.354 -1.715 20 0 DAADMO COCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186059539 781771988 /nfs/dbraw/zinc/77/19/88/781771988.db2.gz MUDPJPWMTBHHOI-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055965 781772946 /nfs/dbraw/zinc/77/29/46/781772946.db2.gz WNHFAGGQHUPPRN-RYUDHWBXSA-N 1 1 310.354 -1.313 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055965 781772953 /nfs/dbraw/zinc/77/29/53/781772953.db2.gz WNHFAGGQHUPPRN-RYUDHWBXSA-N 1 1 310.354 -1.313 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN(c2ncc(O)cn2)CC1 ZINC001186045951 781773242 /nfs/dbraw/zinc/77/32/42/781773242.db2.gz XMTVDSWPUGZAED-LLVKDONJSA-N 1 1 307.354 -1.103 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](O)[C@@H](CO)C2)C1 ZINC001186101047 781773347 /nfs/dbraw/zinc/77/33/47/781773347.db2.gz NZHBXCAMRBJLHU-TUAOUCFPSA-N 1 1 300.355 -1.317 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](O)[C@H](CO)C2)C1 ZINC001186101046 781773384 /nfs/dbraw/zinc/77/33/84/781773384.db2.gz NZHBXCAMRBJLHU-SRVKXCTJSA-N 1 1 300.355 -1.317 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001110381366 781778813 /nfs/dbraw/zinc/77/88/13/781778813.db2.gz FDKCWJAMZJNVKM-VEGXAWMVSA-N 1 1 311.382 -1.006 20 0 DAADMO CCOC(=O)C12CC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)(C1)C2 ZINC001186568512 781779894 /nfs/dbraw/zinc/77/98/94/781779894.db2.gz YEAYSZUIZWUFLF-ATFFOQFKSA-N 1 1 309.370 -1.761 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001186693298 781787253 /nfs/dbraw/zinc/78/72/53/781787253.db2.gz HSIQHAALLORVKB-YNEHKIRRSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001186693403 781788551 /nfs/dbraw/zinc/78/85/51/781788551.db2.gz KIXRSXKTHZERMM-WCQYABFASA-N 1 1 306.370 -1.016 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001186693403 781788557 /nfs/dbraw/zinc/78/85/57/781788557.db2.gz KIXRSXKTHZERMM-WCQYABFASA-N 1 1 306.370 -1.016 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001151586870 781789321 /nfs/dbraw/zinc/78/93/21/781789321.db2.gz OUNOZKPIAINFRE-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001186756915 781789940 /nfs/dbraw/zinc/78/99/40/781789940.db2.gz WWIVCSWYCXHIOX-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001186907247 781791476 /nfs/dbraw/zinc/79/14/76/781791476.db2.gz DKEBWHZONLHCLP-MJBXVCDLSA-N 1 1 314.382 -1.057 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001186940699 781791501 /nfs/dbraw/zinc/79/15/01/781791501.db2.gz SXZALCHYGWBIAY-YNEHKIRRSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC001186826556 781791763 /nfs/dbraw/zinc/79/17/63/781791763.db2.gz NKHZAMCQBPWMBZ-WDEREUQCSA-N 1 1 320.353 -1.389 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C1 ZINC001186826556 781791768 /nfs/dbraw/zinc/79/17/68/781791768.db2.gz NKHZAMCQBPWMBZ-WDEREUQCSA-N 1 1 320.353 -1.389 20 0 DAADMO COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186818778 781792349 /nfs/dbraw/zinc/79/23/49/781792349.db2.gz GKJFHOAPKWGUGC-QWHCGFSZSA-N 1 1 324.385 -1.131 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186811397 781792597 /nfs/dbraw/zinc/79/25/97/781792597.db2.gz GIPCAXGTJOSYHL-GARJFASQSA-N 1 1 311.386 -1.336 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001186968866 781793152 /nfs/dbraw/zinc/79/31/52/781793152.db2.gz XCRXOYHLOVEXDP-SECBINFHSA-N 1 1 316.387 -1.913 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001187073030 781795616 /nfs/dbraw/zinc/79/56/16/781795616.db2.gz QGZIBZYEZKRRKE-QJPTWQEYSA-N 1 1 315.370 -1.118 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCC1([NH+]2CCCC2)COC1 ZINC001187524476 781800850 /nfs/dbraw/zinc/80/08/50/781800850.db2.gz QBIKIKYUUQTUDD-NSHDSACASA-N 1 1 324.381 -1.638 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001187569345 781801517 /nfs/dbraw/zinc/80/15/17/781801517.db2.gz HQIUQFNACJMGOB-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001187569345 781801529 /nfs/dbraw/zinc/80/15/29/781801529.db2.gz HQIUQFNACJMGOB-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187668459 781802118 /nfs/dbraw/zinc/80/21/18/781802118.db2.gz ZJKWPALKQKZUGW-GARJFASQSA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001187674835 781803692 /nfs/dbraw/zinc/80/36/92/781803692.db2.gz QKXXHLIQIQPHSO-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187704760 781806437 /nfs/dbraw/zinc/80/64/37/781806437.db2.gz XYZXVILXAICSBD-SNVBAGLBSA-N 1 1 324.389 -1.168 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001187744095 781806544 /nfs/dbraw/zinc/80/65/44/781806544.db2.gz SYQTYGYVRWPIRX-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001187744095 781806550 /nfs/dbraw/zinc/80/65/50/781806550.db2.gz SYQTYGYVRWPIRX-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187824896 781807595 /nfs/dbraw/zinc/80/75/95/781807595.db2.gz BRFPJQAHDDJROY-VXGBXAGGSA-N 1 1 318.443 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001187971557 781811382 /nfs/dbraw/zinc/81/13/82/781811382.db2.gz PQIWMDHTUVUXLO-ZVXAKGHKSA-N 1 1 322.365 -1.250 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001187971557 781811389 /nfs/dbraw/zinc/81/13/89/781811389.db2.gz PQIWMDHTUVUXLO-ZVXAKGHKSA-N 1 1 322.365 -1.250 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001188095160 781812447 /nfs/dbraw/zinc/81/24/47/781812447.db2.gz GXJRRHHFEQHQNE-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001187985043 781812685 /nfs/dbraw/zinc/81/26/85/781812685.db2.gz ZXGDCPFOLWPGER-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188103198 781813954 /nfs/dbraw/zinc/81/39/54/781813954.db2.gz YYTNOFGZQNNHCT-SDDRHHMPSA-N 1 1 319.427 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188132032 781814252 /nfs/dbraw/zinc/81/42/52/781814252.db2.gz YBZZOKVGPLOHED-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001188132032 781814261 /nfs/dbraw/zinc/81/42/61/781814261.db2.gz YBZZOKVGPLOHED-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188131759 781814419 /nfs/dbraw/zinc/81/44/19/781814419.db2.gz OTAOSOWOAGHELA-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001188124666 781814502 /nfs/dbraw/zinc/81/45/02/781814502.db2.gz JNOWRHJEOGZKMU-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001188112442 781814593 /nfs/dbraw/zinc/81/45/93/781814593.db2.gz YIWGRJXUMGWMDV-SECBINFHSA-N 1 1 324.389 -1.392 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)S(C)(=O)=O ZINC001188102864 781814832 /nfs/dbraw/zinc/81/48/32/781814832.db2.gz RIDWVSFNWBBLIK-VHSXEESVSA-N 1 1 318.399 -2.104 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)S(C)(=O)=O ZINC001188102864 781814843 /nfs/dbraw/zinc/81/48/43/781814843.db2.gz RIDWVSFNWBBLIK-VHSXEESVSA-N 1 1 318.399 -2.104 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001188151905 781816114 /nfs/dbraw/zinc/81/61/14/781816114.db2.gz LUCWJVDDJXEPOM-HBNTYKKESA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001188151606 781816147 /nfs/dbraw/zinc/81/61/47/781816147.db2.gz JBFAMXOGRYMODV-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO COC(=O)CCS(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001188406729 781819133 /nfs/dbraw/zinc/81/91/33/781819133.db2.gz RMWGJNCGRWBIKQ-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCCS2(=O)=O)[nH]1 ZINC001151686490 781820300 /nfs/dbraw/zinc/82/03/00/781820300.db2.gz ZEIULNOMPYRGFL-VIFPVBQESA-N 1 1 301.372 -1.104 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001188685393 781821345 /nfs/dbraw/zinc/82/13/45/781821345.db2.gz NNDKPLCZGNTBAW-GHMZBOCLSA-N 1 1 310.354 -1.540 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C(F)F)c2=O)[C@@H]2NCN[C@@H]21 ZINC001188533909 781822413 /nfs/dbraw/zinc/82/24/13/781822413.db2.gz FANGKOHLMGSRCQ-HLTSFMKQSA-N 1 1 314.296 -1.624 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188792605 781823679 /nfs/dbraw/zinc/82/36/79/781823679.db2.gz ICRZHWGZGPCOKD-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001188724614 781825723 /nfs/dbraw/zinc/82/57/23/781825723.db2.gz XUASCFKMJWQNSS-WDEREUQCSA-N 1 1 322.406 -1.068 20 0 DAADMO C[N@@H+](C[C@@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811756 781827015 /nfs/dbraw/zinc/82/70/15/781827015.db2.gz FOPBFZWKYCMNPH-MNOVXSKESA-N 1 1 321.385 -1.034 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784633 781827865 /nfs/dbraw/zinc/82/78/65/781827865.db2.gz NFJXSRVVPZUMGX-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784633 781827873 /nfs/dbraw/zinc/82/78/73/781827873.db2.gz NFJXSRVVPZUMGX-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785274 781828406 /nfs/dbraw/zinc/82/84/06/781828406.db2.gz VSHIQXDXPRSTIG-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784784 781828834 /nfs/dbraw/zinc/82/88/34/781828834.db2.gz QGHIKXBHOKQLAB-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813854 781830165 /nfs/dbraw/zinc/83/01/65/781830165.db2.gz QKTFZVAXKOIFFU-SFYZADRCSA-N 1 1 314.346 -2.229 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813863 781830350 /nfs/dbraw/zinc/83/03/50/781830350.db2.gz QSOWNXUMRZYIOT-SSDOTTSWSA-N 1 1 300.319 -2.618 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813863 781830365 /nfs/dbraw/zinc/83/03/65/781830365.db2.gz QSOWNXUMRZYIOT-SSDOTTSWSA-N 1 1 300.319 -2.618 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813576 781830382 /nfs/dbraw/zinc/83/03/82/781830382.db2.gz OWTVTBPRZHHYQH-MWLCHTKSSA-N 1 1 311.386 -1.146 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970287 781832286 /nfs/dbraw/zinc/83/22/86/781832286.db2.gz GEJIGZHYGDFKAG-GARJFASQSA-N 1 1 309.370 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970287 781832297 /nfs/dbraw/zinc/83/22/97/781832297.db2.gz GEJIGZHYGDFKAG-GARJFASQSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(C(F)(F)F)n1 ZINC001188963174 781832961 /nfs/dbraw/zinc/83/29/61/781832961.db2.gz DBGKKWJBJFYZRB-XVYDVKMFSA-N 1 1 319.291 -1.428 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188992192 781833360 /nfs/dbraw/zinc/83/33/60/781833360.db2.gz SNFSBFCWJHKTSG-NWDGAFQWSA-N 1 1 319.427 -1.030 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970798 781833385 /nfs/dbraw/zinc/83/33/85/781833385.db2.gz LMXKSLIOXGLJFQ-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970798 781833395 /nfs/dbraw/zinc/83/33/95/781833395.db2.gz LMXKSLIOXGLJFQ-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001188974058 781833418 /nfs/dbraw/zinc/83/34/18/781833418.db2.gz KJQKYJYMKSPCDH-NWDGAFQWSA-N 1 1 324.381 -1.197 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189011990 781833495 /nfs/dbraw/zinc/83/34/95/781833495.db2.gz GUZMABNEKLWVQZ-VHSXEESVSA-N 1 1 318.399 -1.927 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189011990 781833502 /nfs/dbraw/zinc/83/35/02/781833502.db2.gz GUZMABNEKLWVQZ-VHSXEESVSA-N 1 1 318.399 -1.927 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188979964 781833570 /nfs/dbraw/zinc/83/35/70/781833570.db2.gz ZLPWDSYLLOWHMT-SDDRHHMPSA-N 1 1 312.370 -1.791 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970323 781833778 /nfs/dbraw/zinc/83/37/78/781833778.db2.gz GKCJZVWXLBOLEK-XHNCKOQMSA-N 1 1 324.341 -2.605 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970323 781833787 /nfs/dbraw/zinc/83/37/87/781833787.db2.gz GKCJZVWXLBOLEK-XHNCKOQMSA-N 1 1 324.341 -2.605 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001188974060 781834053 /nfs/dbraw/zinc/83/40/53/781834053.db2.gz KJQKYJYMKSPCDH-VXGBXAGGSA-N 1 1 324.381 -1.197 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001189121608 781835504 /nfs/dbraw/zinc/83/55/04/781835504.db2.gz IBJMCYXQQBYZKN-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001189121608 781835512 /nfs/dbraw/zinc/83/55/12/781835512.db2.gz IBJMCYXQQBYZKN-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(OC)nn1 ZINC001189082175 781835823 /nfs/dbraw/zinc/83/58/23/781835823.db2.gz OIAFOBBATDHGBB-UTLUCORTSA-N 1 1 309.330 -2.374 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001189121607 781836119 /nfs/dbraw/zinc/83/61/19/781836119.db2.gz IBJMCYXQQBYZKN-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001189121607 781836130 /nfs/dbraw/zinc/83/61/30/781836130.db2.gz IBJMCYXQQBYZKN-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189131820 781836453 /nfs/dbraw/zinc/83/64/53/781836453.db2.gz DADHDZCYZZLLQF-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357434 781837915 /nfs/dbraw/zinc/83/79/15/781837915.db2.gz ZMUPLPKHFIOEOD-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357434 781837920 /nfs/dbraw/zinc/83/79/20/781837920.db2.gz ZMUPLPKHFIOEOD-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001189276832 781838189 /nfs/dbraw/zinc/83/81/89/781838189.db2.gz KQXYINKDECJCGT-WDEREUQCSA-N 1 1 304.416 -1.065 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390515 781838486 /nfs/dbraw/zinc/83/84/86/781838486.db2.gz RJURFCYPYSPSLC-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO COc1cc(OC)nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001189232585 781838844 /nfs/dbraw/zinc/83/88/44/781838844.db2.gz PKPVPTNHRJZVOV-QXEWZRGKSA-N 1 1 309.330 -2.374 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390514 781839015 /nfs/dbraw/zinc/83/90/15/781839015.db2.gz RJURFCYPYSPSLC-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001189413707 781840280 /nfs/dbraw/zinc/84/02/80/781840280.db2.gz GSSZDDVNIUKOMF-WCQYABFASA-N 1 1 309.370 -1.030 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189367276 781840345 /nfs/dbraw/zinc/84/03/45/781840345.db2.gz BCBUXDIRUSBOPQ-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001189414698 781840556 /nfs/dbraw/zinc/84/05/56/781840556.db2.gz VJSGRKVZAPTHIE-GMXVVIOVSA-N 1 1 309.370 -1.031 20 0 DAADMO Cn1c(=O)cc(C(=O)NCCN2CCC[N@@H+](C)CC2)n(C)c1=O ZINC001189440189 781841344 /nfs/dbraw/zinc/84/13/44/781841344.db2.gz VKNNEFTTWDMBDX-UHFFFAOYSA-N 1 1 323.397 -1.549 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001189470105 781841609 /nfs/dbraw/zinc/84/16/09/781841609.db2.gz CALIHIGSNCZKPQ-JTQLQIEISA-N 1 1 309.326 -1.055 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001189470105 781841616 /nfs/dbraw/zinc/84/16/16/781841616.db2.gz CALIHIGSNCZKPQ-JTQLQIEISA-N 1 1 309.326 -1.055 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001189438011 781842326 /nfs/dbraw/zinc/84/23/26/781842326.db2.gz LNOGOBUSACORMN-MRVPVSSYSA-N 1 1 321.341 -1.600 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001189438011 781842335 /nfs/dbraw/zinc/84/23/35/781842335.db2.gz LNOGOBUSACORMN-MRVPVSSYSA-N 1 1 321.341 -1.600 20 0 DAADMO Cn1c(=O)cc(C(=O)NCC2([NH+]3CCCC3)COC2)n(C)c1=O ZINC001189436559 781842572 /nfs/dbraw/zinc/84/25/72/781842572.db2.gz GCFWJKSJHXDVND-UHFFFAOYSA-N 1 1 322.365 -1.321 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001189499361 781843131 /nfs/dbraw/zinc/84/31/31/781843131.db2.gz GKHNUGWQOIHQLD-SNVBAGLBSA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189499361 781843142 /nfs/dbraw/zinc/84/31/42/781843142.db2.gz GKHNUGWQOIHQLD-SNVBAGLBSA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189499361 781843149 /nfs/dbraw/zinc/84/31/49/781843149.db2.gz GKHNUGWQOIHQLD-SNVBAGLBSA-N 1 1 308.342 -1.320 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001189499358 781843252 /nfs/dbraw/zinc/84/32/52/781843252.db2.gz GKHNUGWQOIHQLD-JTQLQIEISA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189499358 781843260 /nfs/dbraw/zinc/84/32/60/781843260.db2.gz GKHNUGWQOIHQLD-JTQLQIEISA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189499358 781843272 /nfs/dbraw/zinc/84/32/72/781843272.db2.gz GKHNUGWQOIHQLD-JTQLQIEISA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189488739 781843868 /nfs/dbraw/zinc/84/38/68/781843868.db2.gz BTWKNDVAGSXUJT-VXGBXAGGSA-N 1 1 309.370 -1.348 20 0 DAADMO Cc1c(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)nnn1C ZINC001189499336 781843975 /nfs/dbraw/zinc/84/39/75/781843975.db2.gz FZUONTHRXDGHEE-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nnn1C ZINC001189499336 781843983 /nfs/dbraw/zinc/84/39/83/781843983.db2.gz FZUONTHRXDGHEE-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001189522327 781844281 /nfs/dbraw/zinc/84/42/81/781844281.db2.gz CAQPYHJFVTYNFV-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001189522327 781844289 /nfs/dbraw/zinc/84/42/89/781844289.db2.gz CAQPYHJFVTYNFV-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480508 781844456 /nfs/dbraw/zinc/84/44/56/781844456.db2.gz LZOVIVSUGUZTGB-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189516290 781844596 /nfs/dbraw/zinc/84/45/96/781844596.db2.gz HBENWCAPNWFADR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189516290 781844608 /nfs/dbraw/zinc/84/46/08/781844608.db2.gz HBENWCAPNWFADR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189612102 781846551 /nfs/dbraw/zinc/84/65/51/781846551.db2.gz DNLLFNJNUVWQQZ-WDEREUQCSA-N 1 1 322.369 -1.650 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189612102 781846562 /nfs/dbraw/zinc/84/65/62/781846562.db2.gz DNLLFNJNUVWQQZ-WDEREUQCSA-N 1 1 322.369 -1.650 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)[C@@H]2C1 ZINC001189723823 781847048 /nfs/dbraw/zinc/84/70/48/781847048.db2.gz JJKDOQMVQTTYDM-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(=O)NCC3CC3)[C@@H]2C1 ZINC001189723823 781847060 /nfs/dbraw/zinc/84/70/60/781847060.db2.gz JJKDOQMVQTTYDM-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nc(C(F)(F)F)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001189611079 781847132 /nfs/dbraw/zinc/84/71/32/781847132.db2.gz VOFDUQGSWGXPRM-CIUDSAMLSA-N 1 1 319.291 -1.428 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189605137 781847271 /nfs/dbraw/zinc/84/72/71/781847271.db2.gz JLKSFWDFHJGNLL-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO CC[N@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778161 781847492 /nfs/dbraw/zinc/84/74/92/781847492.db2.gz LTEYCHIQFUKVTP-SECBINFHSA-N 1 1 323.419 -1.970 20 0 DAADMO CC[N@@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778161 781847499 /nfs/dbraw/zinc/84/74/99/781847499.db2.gz LTEYCHIQFUKVTP-SECBINFHSA-N 1 1 323.419 -1.970 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695777 781847516 /nfs/dbraw/zinc/84/75/16/781847516.db2.gz QKVZIGRFSPOFLS-UWVGGRQHSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695777 781847525 /nfs/dbraw/zinc/84/75/25/781847525.db2.gz QKVZIGRFSPOFLS-UWVGGRQHSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695778 781847574 /nfs/dbraw/zinc/84/75/74/781847574.db2.gz QKVZIGRFSPOFLS-VHSXEESVSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695778 781847585 /nfs/dbraw/zinc/84/75/85/781847585.db2.gz QKVZIGRFSPOFLS-VHSXEESVSA-N 1 1 323.357 -1.433 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733542 781849006 /nfs/dbraw/zinc/84/90/06/781849006.db2.gz BNKWXGLKXUAFPK-UWVGGRQHSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733546 781849158 /nfs/dbraw/zinc/84/91/58/781849158.db2.gz BNKWXGLKXUAFPK-ZJUUUORDSA-N 1 1 310.358 -1.349 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110414926 781849393 /nfs/dbraw/zinc/84/93/93/781849393.db2.gz NWTLMNOANUXASH-UTUOFQBUSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110414926 781849401 /nfs/dbraw/zinc/84/94/01/781849401.db2.gz NWTLMNOANUXASH-UTUOFQBUSA-N 1 1 324.381 -1.558 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736154 781849591 /nfs/dbraw/zinc/84/95/91/781849591.db2.gz UBYAAVXCYWATRD-QWRGUYRKSA-N 1 1 313.358 -1.476 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189707610 781849902 /nfs/dbraw/zinc/84/99/02/781849902.db2.gz YKGANLXQZAJXMP-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189707610 781849908 /nfs/dbraw/zinc/84/99/08/781849908.db2.gz YKGANLXQZAJXMP-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189707611 781849967 /nfs/dbraw/zinc/84/99/67/781849967.db2.gz YKGANLXQZAJXMP-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189707611 781849977 /nfs/dbraw/zinc/84/99/77/781849977.db2.gz YKGANLXQZAJXMP-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110418114 781850082 /nfs/dbraw/zinc/85/00/82/781850082.db2.gz GUTOJKIMIZHGLQ-MXWKQRLJSA-N 1 1 322.365 -1.268 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769165 781850292 /nfs/dbraw/zinc/85/02/92/781850292.db2.gz HJRMWMKFHFEPAU-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769165 781850302 /nfs/dbraw/zinc/85/03/02/781850302.db2.gz HJRMWMKFHFEPAU-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001189748755 781850356 /nfs/dbraw/zinc/85/03/56/781850356.db2.gz OEZIMMLMWVYQBX-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189735961 781850454 /nfs/dbraw/zinc/85/04/54/781850454.db2.gz RLHPWVXTHMLZIT-GHMZBOCLSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189735968 781850623 /nfs/dbraw/zinc/85/06/23/781850623.db2.gz RLHPWVXTHMLZIT-QWRGUYRKSA-N 1 1 324.385 -1.007 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1N ZINC001189752568 781850730 /nfs/dbraw/zinc/85/07/30/781850730.db2.gz SIMXSXNMWVXTRV-QMMMGPOBSA-N 1 1 323.357 -1.657 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1N ZINC001189752568 781850735 /nfs/dbraw/zinc/85/07/35/781850735.db2.gz SIMXSXNMWVXTRV-QMMMGPOBSA-N 1 1 323.357 -1.657 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001189837750 781851650 /nfs/dbraw/zinc/85/16/50/781851650.db2.gz UJYDSRAFBLNXPJ-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001189837750 781851656 /nfs/dbraw/zinc/85/16/56/781851656.db2.gz UJYDSRAFBLNXPJ-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418487 781852605 /nfs/dbraw/zinc/85/26/05/781852605.db2.gz VSZGGCYHUHIECN-KDXUFGMBSA-N 1 1 311.342 -1.833 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110418487 781852612 /nfs/dbraw/zinc/85/26/12/781852612.db2.gz VSZGGCYHUHIECN-KDXUFGMBSA-N 1 1 311.342 -1.833 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)C1 ZINC001189836267 781852868 /nfs/dbraw/zinc/85/28/68/781852868.db2.gz GNCIHWQPLKXJEZ-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)C1 ZINC001189836267 781852878 /nfs/dbraw/zinc/85/28/78/781852878.db2.gz GNCIHWQPLKXJEZ-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001189819733 781853201 /nfs/dbraw/zinc/85/32/01/781853201.db2.gz XORNVXIEQSHDPH-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001189819733 781853211 /nfs/dbraw/zinc/85/32/11/781853211.db2.gz XORNVXIEQSHDPH-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189778457 781853304 /nfs/dbraw/zinc/85/33/04/781853304.db2.gz LEIADKQFZHAYCP-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189875185 781853899 /nfs/dbraw/zinc/85/38/99/781853899.db2.gz WEQOCVACBWWJCS-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189875185 781853902 /nfs/dbraw/zinc/85/39/02/781853902.db2.gz WEQOCVACBWWJCS-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001189859486 781853978 /nfs/dbraw/zinc/85/39/78/781853978.db2.gz ZOCYQAAKFNPHBE-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189858063 781854062 /nfs/dbraw/zinc/85/40/62/781854062.db2.gz PTVFMWFGGBZAAT-YUMQZZPRSA-N 1 1 314.346 -2.229 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189858063 781854067 /nfs/dbraw/zinc/85/40/67/781854067.db2.gz PTVFMWFGGBZAAT-YUMQZZPRSA-N 1 1 314.346 -2.229 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189858018 781854441 /nfs/dbraw/zinc/85/44/41/781854441.db2.gz ZALZECJLROOFJY-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001189846562 781855347 /nfs/dbraw/zinc/85/53/47/781855347.db2.gz FHOOVSPICMJRFN-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001189846562 781855350 /nfs/dbraw/zinc/85/53/50/781855350.db2.gz FHOOVSPICMJRFN-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001189883232 781855532 /nfs/dbraw/zinc/85/55/32/781855532.db2.gz SERXPZKEPSDBLZ-VIFPVBQESA-N 1 1 300.359 -1.125 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001189883232 781855535 /nfs/dbraw/zinc/85/55/35/781855535.db2.gz SERXPZKEPSDBLZ-VIFPVBQESA-N 1 1 300.359 -1.125 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001189859487 781855587 /nfs/dbraw/zinc/85/55/87/781855587.db2.gz ZOCYQAAKFNPHBE-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189933284 781856282 /nfs/dbraw/zinc/85/62/82/781856282.db2.gz KFYBKHHLGGVRLH-HTQZYQBOSA-N 1 1 313.314 -2.178 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189933284 781856292 /nfs/dbraw/zinc/85/62/92/781856292.db2.gz KFYBKHHLGGVRLH-HTQZYQBOSA-N 1 1 313.314 -2.178 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189933293 781856472 /nfs/dbraw/zinc/85/64/72/781856472.db2.gz KFYBKHHLGGVRLH-YUMQZZPRSA-N 1 1 313.314 -2.178 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189933293 781856482 /nfs/dbraw/zinc/85/64/82/781856482.db2.gz KFYBKHHLGGVRLH-YUMQZZPRSA-N 1 1 313.314 -2.178 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189956263 781857388 /nfs/dbraw/zinc/85/73/88/781857388.db2.gz LDNQFVZLWOKVMJ-MWLCHTKSSA-N 1 1 300.359 -1.269 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189956263 781857396 /nfs/dbraw/zinc/85/73/96/781857396.db2.gz LDNQFVZLWOKVMJ-MWLCHTKSSA-N 1 1 300.359 -1.269 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001190058649 781858600 /nfs/dbraw/zinc/85/86/00/781858600.db2.gz HLCKGCSJHBOBJJ-QWHCGFSZSA-N 1 1 309.370 -1.180 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001190005046 781858744 /nfs/dbraw/zinc/85/87/44/781858744.db2.gz WAWWZMLRARDNTA-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190005335 781859076 /nfs/dbraw/zinc/85/90/76/781859076.db2.gz ZLVJHFKWJUVADH-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189965109 781859158 /nfs/dbraw/zinc/85/91/58/781859158.db2.gz ZOPFWIGLIVDWCI-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189965109 781859171 /nfs/dbraw/zinc/85/91/71/781859171.db2.gz ZOPFWIGLIVDWCI-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189964686 781859530 /nfs/dbraw/zinc/85/95/30/781859530.db2.gz UCSQLZAYLLFHCL-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189964686 781859537 /nfs/dbraw/zinc/85/95/37/781859537.db2.gz UCSQLZAYLLFHCL-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001190094310 781859661 /nfs/dbraw/zinc/85/96/61/781859661.db2.gz JVVHKHTZQJGMPP-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001190094310 781859665 /nfs/dbraw/zinc/85/96/65/781859665.db2.gz JVVHKHTZQJGMPP-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189984355 781859763 /nfs/dbraw/zinc/85/97/63/781859763.db2.gz SPWXHKMMSTWMFT-RKDXNWHRSA-N 1 1 323.357 -1.455 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189984353 781860112 /nfs/dbraw/zinc/86/01/12/781860112.db2.gz SPWXHKMMSTWMFT-DTWKUNHWSA-N 1 1 323.357 -1.455 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001189992007 781860293 /nfs/dbraw/zinc/86/02/93/781860293.db2.gz CURYQHIEIUIFHC-SDDRHHMPSA-N 1 1 319.427 -1.209 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190005336 781860386 /nfs/dbraw/zinc/86/03/86/781860386.db2.gz ZLVJHFKWJUVADH-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001190089650 781860432 /nfs/dbraw/zinc/86/04/32/781860432.db2.gz BQXSXZMVUXICIF-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001190089650 781860439 /nfs/dbraw/zinc/86/04/39/781860439.db2.gz BQXSXZMVUXICIF-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187810 781860773 /nfs/dbraw/zinc/86/07/73/781860773.db2.gz VTAVWAJZTVEFSN-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190108728 781861261 /nfs/dbraw/zinc/86/12/61/781861261.db2.gz YYLPIXBTYIGOPW-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187731 781861341 /nfs/dbraw/zinc/86/13/41/781861341.db2.gz SPKAFHWASVXXLV-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187895 781861364 /nfs/dbraw/zinc/86/13/64/781861364.db2.gz XPHQYWSJHALHGC-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187807 781861508 /nfs/dbraw/zinc/86/15/08/781861508.db2.gz VTAVWAJZTVEFSN-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187219 781861867 /nfs/dbraw/zinc/86/18/67/781861867.db2.gz IQBRKMKILAOTTJ-MRVPVSSYSA-N 1 1 310.318 -2.599 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187219 781861876 /nfs/dbraw/zinc/86/18/76/781861876.db2.gz IQBRKMKILAOTTJ-MRVPVSSYSA-N 1 1 310.318 -2.599 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187898 781862011 /nfs/dbraw/zinc/86/20/11/781862011.db2.gz XPHQYWSJHALHGC-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190128164 781862581 /nfs/dbraw/zinc/86/25/81/781862581.db2.gz IKSKISVNPAMOTD-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190128164 781862588 /nfs/dbraw/zinc/86/25/88/781862588.db2.gz IKSKISVNPAMOTD-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190136537 781862801 /nfs/dbraw/zinc/86/28/01/781862801.db2.gz KCKSIKPGXSRTGD-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187897 781863034 /nfs/dbraw/zinc/86/30/34/781863034.db2.gz XPHQYWSJHALHGC-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195821 781863544 /nfs/dbraw/zinc/86/35/44/781863544.db2.gz MRIAXSNSVUGIOY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195821 781863556 /nfs/dbraw/zinc/86/35/56/781863556.db2.gz MRIAXSNSVUGIOY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001190227844 781864199 /nfs/dbraw/zinc/86/41/99/781864199.db2.gz UDPDLFNIHWOOGV-OUAUKWLOSA-N 1 1 305.400 -1.551 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190288626 781864923 /nfs/dbraw/zinc/86/49/23/781864923.db2.gz AOUPHLLISRUNLT-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190288626 781864933 /nfs/dbraw/zinc/86/49/33/781864933.db2.gz AOUPHLLISRUNLT-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@H]2NCN[C@H]21 ZINC001190385901 781865085 /nfs/dbraw/zinc/86/50/85/781865085.db2.gz CJLOKMJVVHBJGU-XLPZGREQSA-N 1 1 317.275 -1.372 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001273597149 781865347 /nfs/dbraw/zinc/86/53/47/781865347.db2.gz NTVACMFBSATNTO-ZDUSSCGKSA-N 1 1 309.374 -1.183 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)[C@@H]2C1 ZINC001190334579 781865673 /nfs/dbraw/zinc/86/56/73/781865673.db2.gz WFUMROBKPIZQIA-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CCC3)[C@@H]2C1 ZINC001190334579 781865677 /nfs/dbraw/zinc/86/56/77/781865677.db2.gz WFUMROBKPIZQIA-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190329769 781866285 /nfs/dbraw/zinc/86/62/85/781866285.db2.gz STIHRZBCUZKBQV-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001190257178 781866221 /nfs/dbraw/zinc/86/62/21/781866221.db2.gz DFHAJBNVKXJHKL-RBZYPMLTSA-N 1 1 310.354 -1.250 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001190257178 781866227 /nfs/dbraw/zinc/86/62/27/781866227.db2.gz DFHAJBNVKXJHKL-RBZYPMLTSA-N 1 1 310.354 -1.250 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190379420 781866254 /nfs/dbraw/zinc/86/62/54/781866254.db2.gz CBDLCQPFFJYJEL-NXEZZACHSA-N 1 1 323.357 -1.606 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190329769 781866281 /nfs/dbraw/zinc/86/62/81/781866281.db2.gz STIHRZBCUZKBQV-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001190309377 781866476 /nfs/dbraw/zinc/86/64/76/781866476.db2.gz WOTQUHJNNMVGMB-GFCCVEGCSA-N 1 1 319.365 -1.171 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001190309377 781866483 /nfs/dbraw/zinc/86/64/83/781866483.db2.gz WOTQUHJNNMVGMB-GFCCVEGCSA-N 1 1 319.365 -1.171 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001190342412 781866549 /nfs/dbraw/zinc/86/65/49/781866549.db2.gz WOFCZAPSRBTPDA-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2nccn2)[C@@H]2NCN[C@@H]21 ZINC001190372463 781866618 /nfs/dbraw/zinc/86/66/18/781866618.db2.gz ISKLXBYGAJOWRA-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001190483740 781867050 /nfs/dbraw/zinc/86/70/50/781867050.db2.gz SQEJPQVKANJZRN-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1)S(C)(=O)=O ZINC001190471543 781867157 /nfs/dbraw/zinc/86/71/57/781867157.db2.gz FIIREOJDJPFHOO-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190509073 781867177 /nfs/dbraw/zinc/86/71/77/781867177.db2.gz GYAQSAQHOWSSGS-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190509073 781867182 /nfs/dbraw/zinc/86/71/82/781867182.db2.gz GYAQSAQHOWSSGS-QMMMGPOBSA-N 1 1 314.346 -2.357 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463872 781867196 /nfs/dbraw/zinc/86/71/96/781867196.db2.gz UNILDIONAWQNLI-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463872 781867202 /nfs/dbraw/zinc/86/72/02/781867202.db2.gz UNILDIONAWQNLI-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190482787 781867535 /nfs/dbraw/zinc/86/75/35/781867535.db2.gz KPSUDVGFTFTCQN-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190482787 781867542 /nfs/dbraw/zinc/86/75/42/781867542.db2.gz KPSUDVGFTFTCQN-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190462161 781867680 /nfs/dbraw/zinc/86/76/80/781867680.db2.gz GSYJHNZLHGJXBP-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190462161 781867688 /nfs/dbraw/zinc/86/76/88/781867688.db2.gz GSYJHNZLHGJXBP-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC)C1 ZINC001190463926 781868129 /nfs/dbraw/zinc/86/81/29/781868129.db2.gz VJLQOXVYCXHUQC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC)C1 ZINC001190463926 781868134 /nfs/dbraw/zinc/86/81/34/781868134.db2.gz VJLQOXVYCXHUQC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)c1=O ZINC001190484219 781868158 /nfs/dbraw/zinc/86/81/58/781868158.db2.gz VMLZRBKLDJAMRA-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462775 781868457 /nfs/dbraw/zinc/86/84/57/781868457.db2.gz MKYBCXCOJPTQTE-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190462963 781868549 /nfs/dbraw/zinc/86/85/49/781868549.db2.gz PDWLGDKYUJFXTF-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190491256 781869334 /nfs/dbraw/zinc/86/93/34/781869334.db2.gz DMZAXJURFYRHMF-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190491256 781869336 /nfs/dbraw/zinc/86/93/36/781869336.db2.gz DMZAXJURFYRHMF-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001190509649 781869432 /nfs/dbraw/zinc/86/94/32/781869432.db2.gz MKTBAXPOJQEQSM-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001190509649 781869439 /nfs/dbraw/zinc/86/94/39/781869439.db2.gz MKTBAXPOJQEQSM-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190510375 781869633 /nfs/dbraw/zinc/86/96/33/781869633.db2.gz RSQADLLIJRTTLM-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001190511922 781869645 /nfs/dbraw/zinc/86/96/45/781869645.db2.gz YCQPOFONCXTWOR-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CSc1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(C)n1 ZINC001190524343 781869730 /nfs/dbraw/zinc/86/97/30/781869730.db2.gz VPWKNECTWLLDQZ-LPEHRKFASA-N 1 1 309.399 -1.360 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001190509159 781869964 /nfs/dbraw/zinc/86/99/64/781869964.db2.gz INZOJAORVGVQHW-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190510378 781870201 /nfs/dbraw/zinc/87/02/01/781870201.db2.gz RSQADLLIJRTTLM-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001190609802 781872347 /nfs/dbraw/zinc/87/23/47/781872347.db2.gz IOMJCYLSCKHRPR-YNEHKIRRSA-N 1 1 312.370 -1.558 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001190645639 781874693 /nfs/dbraw/zinc/87/46/93/781874693.db2.gz RIEMXMXUMNFMOH-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001190645639 781874702 /nfs/dbraw/zinc/87/47/02/781874702.db2.gz RIEMXMXUMNFMOH-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001273605158 781875335 /nfs/dbraw/zinc/87/53/35/781875335.db2.gz PHQBNBGXQXGOGT-WDEREUQCSA-N 1 1 324.385 -1.214 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001190718251 781877109 /nfs/dbraw/zinc/87/71/09/781877109.db2.gz XMDWRWOQULCVLY-ZIAGYGMSSA-N 1 1 323.397 -1.203 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001190717415 781877205 /nfs/dbraw/zinc/87/72/05/781877205.db2.gz HWETVFBNHNLYLR-IJLUTSLNSA-N 1 1 322.369 -1.937 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001190692938 781879180 /nfs/dbraw/zinc/87/91/80/781879180.db2.gz MUUBJQLEBKDNOD-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190733040 781879525 /nfs/dbraw/zinc/87/95/25/781879525.db2.gz AVMGVAZHGCFDRD-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001190795359 781880948 /nfs/dbraw/zinc/88/09/48/781880948.db2.gz QSDNGSQNCCVMKW-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001190795359 781880960 /nfs/dbraw/zinc/88/09/60/781880960.db2.gz QSDNGSQNCCVMKW-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001190750612 781881302 /nfs/dbraw/zinc/88/13/02/781881302.db2.gz LAKPEFLNLQEWNS-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001190750612 781881306 /nfs/dbraw/zinc/88/13/06/781881306.db2.gz LAKPEFLNLQEWNS-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001190795360 781881315 /nfs/dbraw/zinc/88/13/15/781881315.db2.gz QSDNGSQNCCVMKW-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001190795360 781881321 /nfs/dbraw/zinc/88/13/21/781881321.db2.gz QSDNGSQNCCVMKW-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190800281 781881491 /nfs/dbraw/zinc/88/14/91/781881491.db2.gz IQZTZMUWTJZBNC-SECBINFHSA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190800281 781881498 /nfs/dbraw/zinc/88/14/98/781881498.db2.gz IQZTZMUWTJZBNC-SECBINFHSA-N 1 1 322.325 -1.477 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001190786589 781881542 /nfs/dbraw/zinc/88/15/42/781881542.db2.gz TYUCTGIOUADJHH-CHWSQXEVSA-N 1 1 311.338 -1.896 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001190786589 781881551 /nfs/dbraw/zinc/88/15/51/781881551.db2.gz TYUCTGIOUADJHH-CHWSQXEVSA-N 1 1 311.338 -1.896 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190850870 781882542 /nfs/dbraw/zinc/88/25/42/781882542.db2.gz DSKMNHMNEXRWRX-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190850870 781882545 /nfs/dbraw/zinc/88/25/45/781882545.db2.gz DSKMNHMNEXRWRX-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190847125 781882798 /nfs/dbraw/zinc/88/27/98/781882798.db2.gz HXZBZLUVJOVNSF-LLVKDONJSA-N 1 1 309.370 -1.045 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190847125 781882805 /nfs/dbraw/zinc/88/28/05/781882805.db2.gz HXZBZLUVJOVNSF-LLVKDONJSA-N 1 1 309.370 -1.045 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190847128 781883485 /nfs/dbraw/zinc/88/34/85/781883485.db2.gz HXZBZLUVJOVNSF-NSHDSACASA-N 1 1 309.370 -1.045 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190847128 781883495 /nfs/dbraw/zinc/88/34/95/781883495.db2.gz HXZBZLUVJOVNSF-NSHDSACASA-N 1 1 309.370 -1.045 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905653 781886443 /nfs/dbraw/zinc/88/64/43/781886443.db2.gz YAGBFWFROPNUIO-VXGBXAGGSA-N 1 1 312.374 -1.493 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190905653 781886447 /nfs/dbraw/zinc/88/64/47/781886447.db2.gz YAGBFWFROPNUIO-VXGBXAGGSA-N 1 1 312.374 -1.493 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958085 781887070 /nfs/dbraw/zinc/88/70/70/781887070.db2.gz VPWDXFXDZUUFEV-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958085 781887081 /nfs/dbraw/zinc/88/70/81/781887081.db2.gz VPWDXFXDZUUFEV-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190904431 781887444 /nfs/dbraw/zinc/88/74/44/781887444.db2.gz HBUSEUGGQDLKOI-NXEZZACHSA-N 1 1 302.400 -1.464 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190904431 781887453 /nfs/dbraw/zinc/88/74/53/781887453.db2.gz HBUSEUGGQDLKOI-NXEZZACHSA-N 1 1 302.400 -1.464 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190923209 781887643 /nfs/dbraw/zinc/88/76/43/781887643.db2.gz UVFVMLWHGBIULH-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190970086 781888297 /nfs/dbraw/zinc/88/82/97/781888297.db2.gz WGJADWZKGFGVBL-OPRDCNLKSA-N 1 1 313.358 -2.563 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001190970086 781888304 /nfs/dbraw/zinc/88/83/04/781888304.db2.gz WGJADWZKGFGVBL-OPRDCNLKSA-N 1 1 313.358 -2.563 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001190968492 781889072 /nfs/dbraw/zinc/88/90/72/781889072.db2.gz GYPOAJVZCZDQSJ-GMTAPVOTSA-N 1 1 300.359 -1.615 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190972416 781889098 /nfs/dbraw/zinc/88/90/98/781889098.db2.gz AIPIQDHKBXMBBG-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001190977524 781889562 /nfs/dbraw/zinc/88/95/62/781889562.db2.gz KERXRXVYXJCCML-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190972415 781890119 /nfs/dbraw/zinc/89/01/19/781890119.db2.gz AIPIQDHKBXMBBG-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001190977756 781890142 /nfs/dbraw/zinc/89/01/42/781890142.db2.gz MKIBTWRZSGKJGJ-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190989526 781890870 /nfs/dbraw/zinc/89/08/70/781890870.db2.gz PRNDXJRQCNBSNR-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)C1CC1 ZINC001190978313 781891281 /nfs/dbraw/zinc/89/12/81/781891281.db2.gz VDQDHVVAUXISQR-UTUOFQBUSA-N 1 1 314.386 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190978000 781891349 /nfs/dbraw/zinc/89/13/49/781891349.db2.gz QDVNCALARPXLLS-RKDXNWHRSA-N 1 1 314.346 -3.159 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190978000 781891358 /nfs/dbraw/zinc/89/13/58/781891358.db2.gz QDVNCALARPXLLS-RKDXNWHRSA-N 1 1 314.346 -3.159 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001191000221 781892875 /nfs/dbraw/zinc/89/28/75/781892875.db2.gz VYPVWTXBUMMMPP-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001191000221 781892885 /nfs/dbraw/zinc/89/28/85/781892885.db2.gz VYPVWTXBUMMMPP-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001190952072 781893322 /nfs/dbraw/zinc/89/33/22/781893322.db2.gz ADRUJHUNHQQWBF-HBNTYKKESA-N 1 1 300.359 -1.757 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)c1 ZINC001190952977 781893618 /nfs/dbraw/zinc/89/36/18/781893618.db2.gz UWTHXYXRVHYXPX-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)c1 ZINC001190952977 781893628 /nfs/dbraw/zinc/89/36/28/781893628.db2.gz UWTHXYXRVHYXPX-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001191042132 781894695 /nfs/dbraw/zinc/89/46/95/781894695.db2.gz OCUORPNWFVORHR-YNEHKIRRSA-N 1 1 304.387 -1.172 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040926 781895473 /nfs/dbraw/zinc/89/54/73/781895473.db2.gz MYVGTMNFTODSIR-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040926 781895479 /nfs/dbraw/zinc/89/54/79/781895479.db2.gz MYVGTMNFTODSIR-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191121187 781897215 /nfs/dbraw/zinc/89/72/15/781897215.db2.gz ZESIYMXSAATWHN-HTQZYQBOSA-N 1 1 309.330 -1.466 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191121388 781897521 /nfs/dbraw/zinc/89/75/21/781897521.db2.gz RXAAAPSMYXRXSJ-QJPTWQEYSA-N 1 1 313.358 -2.163 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191127142 781897804 /nfs/dbraw/zinc/89/78/04/781897804.db2.gz DBBRLMNYCLRUSR-MRVPVSSYSA-N 1 1 309.330 -1.593 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191127142 781897812 /nfs/dbraw/zinc/89/78/12/781897812.db2.gz DBBRLMNYCLRUSR-MRVPVSSYSA-N 1 1 309.330 -1.593 20 0 DAADMO C[N@H+]([C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@H]1CCNC1=O ZINC001191092365 781899592 /nfs/dbraw/zinc/89/95/92/781899592.db2.gz WNAWTQSGAVMHOG-BDAKNGLRSA-N 1 1 318.324 -1.211 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1)[C@H]1CCNC1=O ZINC001191092365 781899600 /nfs/dbraw/zinc/89/96/00/781899600.db2.gz WNAWTQSGAVMHOG-BDAKNGLRSA-N 1 1 318.324 -1.211 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090587 781899665 /nfs/dbraw/zinc/89/96/65/781899665.db2.gz CZRCOXVWGIEJFU-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092442 781899873 /nfs/dbraw/zinc/89/98/73/781899873.db2.gz XOWLMFINDQCPQD-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191142192 781900920 /nfs/dbraw/zinc/90/09/20/781900920.db2.gz VSKYBFAWCZZWJG-CHWSQXEVSA-N 1 1 312.370 -1.557 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001191170426 781901068 /nfs/dbraw/zinc/90/10/68/781901068.db2.gz UIDRGWPRVGKKPO-JHJVBQTASA-N 1 1 318.370 -1.774 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001191170426 781901072 /nfs/dbraw/zinc/90/10/72/781901072.db2.gz UIDRGWPRVGKKPO-JHJVBQTASA-N 1 1 318.370 -1.774 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001191135895 781901831 /nfs/dbraw/zinc/90/18/31/781901831.db2.gz HSMSKZOBXNPIKD-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001191135895 781901836 /nfs/dbraw/zinc/90/18/36/781901836.db2.gz HSMSKZOBXNPIKD-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191189194 781902476 /nfs/dbraw/zinc/90/24/76/781902476.db2.gz UKSHHOJKORESIP-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191189194 781902484 /nfs/dbraw/zinc/90/24/84/781902484.db2.gz UKSHHOJKORESIP-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185992 781902805 /nfs/dbraw/zinc/90/28/05/781902805.db2.gz SUEKGIVSNFUWBB-CHWSQXEVSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185992 781902812 /nfs/dbraw/zinc/90/28/12/781902812.db2.gz SUEKGIVSNFUWBB-CHWSQXEVSA-N 1 1 317.386 -1.711 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270487 781904794 /nfs/dbraw/zinc/90/47/94/781904794.db2.gz JGIKJKNMLCWWEI-GMTAPVOTSA-N 1 1 316.427 -1.076 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270487 781904802 /nfs/dbraw/zinc/90/48/02/781904802.db2.gz JGIKJKNMLCWWEI-GMTAPVOTSA-N 1 1 316.427 -1.076 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 ZINC001191293767 781904865 /nfs/dbraw/zinc/90/48/65/781904865.db2.gz HYQWLOUEDYYJPC-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 ZINC001191293767 781904869 /nfs/dbraw/zinc/90/48/69/781904869.db2.gz HYQWLOUEDYYJPC-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COC(=O)c1cncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001191226542 781905233 /nfs/dbraw/zinc/90/52/33/781905233.db2.gz AQVGTRHQJDHRMY-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001191300500 781905393 /nfs/dbraw/zinc/90/53/93/781905393.db2.gz OVDVSUCWRMCQBK-YNEHKIRRSA-N 1 1 302.371 -1.418 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191315173 781905944 /nfs/dbraw/zinc/90/59/44/781905944.db2.gz XGWGSOWIPCEAPQ-VXGBXAGGSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191315173 781905949 /nfs/dbraw/zinc/90/59/49/781905949.db2.gz XGWGSOWIPCEAPQ-VXGBXAGGSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001191321584 781909054 /nfs/dbraw/zinc/90/90/54/781909054.db2.gz SZLBIEWFSLIVOM-RAIGVLPGSA-N 1 1 311.382 -1.290 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401736 781910024 /nfs/dbraw/zinc/91/00/24/781910024.db2.gz PMFKCWQCGMXOJF-JHJVBQTASA-N 1 1 312.370 -1.640 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001191361857 781910394 /nfs/dbraw/zinc/91/03/94/781910394.db2.gz GKAXCXVLDSHQQE-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncs2)C1 ZINC001191361857 781910400 /nfs/dbraw/zinc/91/04/00/781910400.db2.gz GKAXCXVLDSHQQE-IVZWLZJFSA-N 1 1 301.368 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191432639 781910792 /nfs/dbraw/zinc/91/07/92/781910792.db2.gz NHYPOCKYBXGNKV-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191432639 781910804 /nfs/dbraw/zinc/91/08/04/781910804.db2.gz NHYPOCKYBXGNKV-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191433571 781911288 /nfs/dbraw/zinc/91/12/88/781911288.db2.gz XFOPBJBBQVUFBJ-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191433571 781911291 /nfs/dbraw/zinc/91/12/91/781911291.db2.gz XFOPBJBBQVUFBJ-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191457687 781911844 /nfs/dbraw/zinc/91/18/44/781911844.db2.gz WCMCGPVMQROTQV-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191457687 781911851 /nfs/dbraw/zinc/91/18/51/781911851.db2.gz WCMCGPVMQROTQV-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441776 781912500 /nfs/dbraw/zinc/91/25/00/781912500.db2.gz PMWFCFWPYHCXQN-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2[nH]ncc2-c2ccccn2)[C@@H]2NCN[C@@H]21 ZINC001191501331 781914349 /nfs/dbraw/zinc/91/43/49/781914349.db2.gz UNUTVALYNGQETB-UPJWGTAASA-N 1 1 314.353 -1.396 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001191500758 781914379 /nfs/dbraw/zinc/91/43/79/781914379.db2.gz QPMYFBGLQWAXCF-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001191500758 781914387 /nfs/dbraw/zinc/91/43/87/781914387.db2.gz QPMYFBGLQWAXCF-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)c1=O ZINC001191507419 781914694 /nfs/dbraw/zinc/91/46/94/781914694.db2.gz LDQWJJVVGJDHQI-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550587 781914718 /nfs/dbraw/zinc/91/47/18/781914718.db2.gz CYILVOXSVUKROO-NXEZZACHSA-N 1 1 320.415 -1.538 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550587 781914723 /nfs/dbraw/zinc/91/47/23/781914723.db2.gz CYILVOXSVUKROO-NXEZZACHSA-N 1 1 320.415 -1.538 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001191543495 781914961 /nfs/dbraw/zinc/91/49/61/781914961.db2.gz OJFQWHZOHOMNFM-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2[nH]ncc2-c2ccccn2)[C@@H]2NCN[C@H]21 ZINC001191501332 781915373 /nfs/dbraw/zinc/91/53/73/781915373.db2.gz UNUTVALYNGQETB-XQQFMLRXSA-N 1 1 314.353 -1.396 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001191500209 781915593 /nfs/dbraw/zinc/91/55/93/781915593.db2.gz QBRWCHLBSYSFMU-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001191500209 781915598 /nfs/dbraw/zinc/91/55/98/781915598.db2.gz QBRWCHLBSYSFMU-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cscn1 ZINC001191676076 781917078 /nfs/dbraw/zinc/91/70/78/781917078.db2.gz FJMQGKWCQGSURT-MWLCHTKSSA-N 1 1 301.368 -1.073 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cscn1 ZINC001191676076 781917086 /nfs/dbraw/zinc/91/70/86/781917086.db2.gz FJMQGKWCQGSURT-MWLCHTKSSA-N 1 1 301.368 -1.073 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191631230 781917509 /nfs/dbraw/zinc/91/75/09/781917509.db2.gz SKPWQSDWYGYYDQ-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CCOCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191714341 781918087 /nfs/dbraw/zinc/91/80/87/781918087.db2.gz CNMHDSWUPAHNTK-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CCOCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191714341 781918097 /nfs/dbraw/zinc/91/80/97/781918097.db2.gz CNMHDSWUPAHNTK-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191720537 781918231 /nfs/dbraw/zinc/91/82/31/781918231.db2.gz TUTOKQIWLCUOKH-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191720537 781918240 /nfs/dbraw/zinc/91/82/40/781918240.db2.gz TUTOKQIWLCUOKH-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191666893 781918403 /nfs/dbraw/zinc/91/84/03/781918403.db2.gz QNOZLYRKPWUMMC-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191666893 781918409 /nfs/dbraw/zinc/91/84/09/781918409.db2.gz QNOZLYRKPWUMMC-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN2CCCC2)CCO1 ZINC001376860914 921738632 /nfs/dbraw/zinc/73/86/32/921738632.db2.gz JKFVMDLPQUMGFQ-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001376861172 921738901 /nfs/dbraw/zinc/73/89/01/921738901.db2.gz CEKQQWGARZJOCP-PSASIEDQSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001376861185 921740200 /nfs/dbraw/zinc/74/02/00/921740200.db2.gz CEKQQWGARZJOCP-WPRPVWTQSA-N 1 1 316.387 -1.899 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2ncnn2C)c(=O)n1C ZINC001376879235 921741195 /nfs/dbraw/zinc/74/11/95/921741195.db2.gz YEMVLLXIGBLLFC-VIFPVBQESA-N 1 1 322.373 -1.687 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001376883392 921742336 /nfs/dbraw/zinc/74/23/36/921742336.db2.gz OTOGQVFAXPFHMH-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001376877628 921742493 /nfs/dbraw/zinc/74/24/93/921742493.db2.gz ZWQJUWIRHJTADG-QMMMGPOBSA-N 1 1 318.403 -1.401 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)c1=O ZINC001376892434 921743604 /nfs/dbraw/zinc/74/36/04/921743604.db2.gz PXNOPYRUJMDYRK-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001376934754 921749760 /nfs/dbraw/zinc/74/97/60/921749760.db2.gz ACJRKUDPIUHNBK-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001376922759 921749927 /nfs/dbraw/zinc/74/99/27/921749927.db2.gz NXZJYBOGYFQTLX-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376962855 921754180 /nfs/dbraw/zinc/75/41/80/921754180.db2.gz OVIDJEOQINAAPQ-NXEZZACHSA-N 1 1 307.354 -1.044 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001376975914 921754526 /nfs/dbraw/zinc/75/45/26/921754526.db2.gz JKXDFLJIYZMCAC-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001376990871 921754946 /nfs/dbraw/zinc/75/49/46/921754946.db2.gz ZSBQHVJBETYBNY-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001376986817 921755133 /nfs/dbraw/zinc/75/51/33/921755133.db2.gz HLCJNXRXXPIMQE-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO Cc1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001377127799 921769439 /nfs/dbraw/zinc/76/94/39/921769439.db2.gz BPQDHMBMJMDJQC-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001377127799 921769453 /nfs/dbraw/zinc/76/94/53/921769453.db2.gz BPQDHMBMJMDJQC-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@H](O)Cn1cccn1 ZINC001377134308 921769640 /nfs/dbraw/zinc/76/96/40/921769640.db2.gz VRNZLHCABGUPTR-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnsn1 ZINC001377135203 921769967 /nfs/dbraw/zinc/76/99/67/921769967.db2.gz TXTJWQKJUGHTKJ-UHFFFAOYSA-N 1 1 300.344 -1.345 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnsn1 ZINC001377135203 921769976 /nfs/dbraw/zinc/76/99/76/921769976.db2.gz TXTJWQKJUGHTKJ-UHFFFAOYSA-N 1 1 300.344 -1.345 20 0 DAADMO Cc1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001377127792 921770737 /nfs/dbraw/zinc/77/07/37/921770737.db2.gz BPQDHMBMJMDJQC-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001377127792 921770762 /nfs/dbraw/zinc/77/07/62/921770762.db2.gz BPQDHMBMJMDJQC-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)[C@@H]1CCNC1=O ZINC001377157576 921771718 /nfs/dbraw/zinc/77/17/18/921771718.db2.gz BLZQDPXTWBAUPA-SNVBAGLBSA-N 1 1 323.401 -1.093 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nnn(C(C)(C)C)n1)[C@@H]1CCNC1=O ZINC001377157576 921771727 /nfs/dbraw/zinc/77/17/27/921771727.db2.gz BLZQDPXTWBAUPA-SNVBAGLBSA-N 1 1 323.401 -1.093 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)C[C@@H](O)Cn2cccn2)[nH]1 ZINC001377153057 921771839 /nfs/dbraw/zinc/77/18/39/921771839.db2.gz ZWMQXZAXTKZODA-GFCCVEGCSA-N 1 1 321.385 -1.039 20 0 DAADMO Cc1nc(CC(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)n[nH]1 ZINC001377153057 921771849 /nfs/dbraw/zinc/77/18/49/921771849.db2.gz ZWMQXZAXTKZODA-GFCCVEGCSA-N 1 1 321.385 -1.039 20 0 DAADMO Cc1nc(CC(=O)NCC[N@H+](C)C[C@@H](O)Cn2cccn2)n[nH]1 ZINC001377153057 921771862 /nfs/dbraw/zinc/77/18/62/921771862.db2.gz ZWMQXZAXTKZODA-GFCCVEGCSA-N 1 1 321.385 -1.039 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)CC1=O ZINC001377166232 921776611 /nfs/dbraw/zinc/77/66/11/921776611.db2.gz OTAUACNYHFTKCO-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)CC1=O ZINC001377166232 921776622 /nfs/dbraw/zinc/77/66/22/921776622.db2.gz OTAUACNYHFTKCO-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001377162035 921776712 /nfs/dbraw/zinc/77/67/12/921776712.db2.gz GRLAPIFKYKKHKA-SNVBAGLBSA-N 1 1 300.359 -1.924 20 0 DAADMO COCC(=O)NCCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001377162035 921776725 /nfs/dbraw/zinc/77/67/25/921776725.db2.gz GRLAPIFKYKKHKA-SNVBAGLBSA-N 1 1 300.359 -1.924 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CCn1cncn1)S(C)(=O)=O ZINC001377167489 921777911 /nfs/dbraw/zinc/77/79/11/921777911.db2.gz UNAUZUBGJLXUEL-UHFFFAOYSA-N 1 1 318.403 -1.783 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001377178074 921780442 /nfs/dbraw/zinc/78/04/42/921780442.db2.gz CYMSNPFLOMWFGP-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccn(C)c(=O)c1 ZINC001377178074 921780452 /nfs/dbraw/zinc/78/04/52/921780452.db2.gz CYMSNPFLOMWFGP-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001377205219 921782626 /nfs/dbraw/zinc/78/26/26/921782626.db2.gz HMDMIXWHZSCIGY-DTWKUNHWSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001377205219 921782633 /nfs/dbraw/zinc/78/26/33/921782633.db2.gz HMDMIXWHZSCIGY-DTWKUNHWSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001377205217 921782897 /nfs/dbraw/zinc/78/28/97/921782897.db2.gz HMDMIXWHZSCIGY-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001377205217 921782911 /nfs/dbraw/zinc/78/29/11/921782911.db2.gz HMDMIXWHZSCIGY-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001377216978 921782974 /nfs/dbraw/zinc/78/29/74/921782974.db2.gz VRBXLBOVPHSHLW-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001377216978 921782991 /nfs/dbraw/zinc/78/29/91/921782991.db2.gz VRBXLBOVPHSHLW-VHSXEESVSA-N 1 1 308.386 -1.158 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001377207254 921783307 /nfs/dbraw/zinc/78/33/07/921783307.db2.gz VBHKDGMDPOQGJS-UHFFFAOYSA-N 1 1 314.346 -3.339 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001377207254 921783318 /nfs/dbraw/zinc/78/33/18/921783318.db2.gz VBHKDGMDPOQGJS-UHFFFAOYSA-N 1 1 314.346 -3.339 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001377215571 921783508 /nfs/dbraw/zinc/78/35/08/921783508.db2.gz NFVFJHSMYLNCLN-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001377215571 921783518 /nfs/dbraw/zinc/78/35/18/921783518.db2.gz NFVFJHSMYLNCLN-UHFFFAOYSA-N 1 1 323.353 -1.498 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377201649 921783810 /nfs/dbraw/zinc/78/38/10/921783810.db2.gz WLXXYEZBZJWHMY-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377201649 921783818 /nfs/dbraw/zinc/78/38/18/921783818.db2.gz WLXXYEZBZJWHMY-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001377253577 921792284 /nfs/dbraw/zinc/79/22/84/921792284.db2.gz VGPRWWARBPMAKP-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)c(=O)n1C ZINC001377253976 921790350 /nfs/dbraw/zinc/79/03/50/921790350.db2.gz FZFUMSQPDGFEGU-LBPRGKRZSA-N 1 1 311.386 -1.025 20 0 DAADMO C[N@@H+](CCNC(=O)c1nnc[nH]1)C[C@H](O)CN1CCCC1=O ZINC001377235174 921792078 /nfs/dbraw/zinc/79/20/78/921792078.db2.gz KMVCUMUBWWHEFO-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+](CCNC(=O)c1ncn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001377235174 921792094 /nfs/dbraw/zinc/79/20/94/921792094.db2.gz KMVCUMUBWWHEFO-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@@H+](CCNC(=O)c1ncn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001377235174 921792109 /nfs/dbraw/zinc/79/21/09/921792109.db2.gz KMVCUMUBWWHEFO-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+](CCNC(=O)c1nc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001377235174 921792127 /nfs/dbraw/zinc/79/21/27/921792127.db2.gz KMVCUMUBWWHEFO-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@@H+](CCNC(=O)c1nc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001377235174 921792143 /nfs/dbraw/zinc/79/21/43/921792143.db2.gz KMVCUMUBWWHEFO-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001377273047 921798114 /nfs/dbraw/zinc/79/81/14/921798114.db2.gz LJQVSYJAPZTWKG-NWDGAFQWSA-N 1 1 311.386 -1.104 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377266360 921794569 /nfs/dbraw/zinc/79/45/69/921794569.db2.gz MXYZVKRZIUYPNO-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794610 /nfs/dbraw/zinc/79/46/10/921794610.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)[C@H](C)C(=O)NC)C1 ZINC001377266874 921794620 /nfs/dbraw/zinc/79/46/20/921794620.db2.gz OTPRQYXGICPYPA-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001377263959 921795355 /nfs/dbraw/zinc/79/53/55/921795355.db2.gz ZOTCQXSJOGYNKK-DTWKUNHWSA-N 1 1 310.362 -1.924 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377266364 921796041 /nfs/dbraw/zinc/79/60/41/921796041.db2.gz MXYZVKRZIUYPNO-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001377263958 921796156 /nfs/dbraw/zinc/79/61/56/921796156.db2.gz ZOTCQXSJOGYNKK-BDAKNGLRSA-N 1 1 310.362 -1.924 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001377273169 921799452 /nfs/dbraw/zinc/79/94/52/921799452.db2.gz LJQVSYJAPZTWKG-VXGBXAGGSA-N 1 1 311.386 -1.104 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C[C@H](O)COC ZINC001377312934 921800420 /nfs/dbraw/zinc/80/04/20/921800420.db2.gz BUFGITBTHJRVQO-NSHDSACASA-N 1 1 312.370 -1.161 20 0 DAADMO COC[C@H](OC)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001377325525 921801697 /nfs/dbraw/zinc/80/16/97/921801697.db2.gz LOXNGCATEJVNJP-ZDUSSCGKSA-N 1 1 301.387 -1.532 20 0 DAADMO CC[N@H+](CCNC(=O)c1cncnc1)CC(=O)NC(=O)NC ZINC001377304338 921803201 /nfs/dbraw/zinc/80/32/01/921803201.db2.gz XPOYOQGTPHTBDD-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cncnc1)CC(=O)NC(=O)NC ZINC001377304338 921803215 /nfs/dbraw/zinc/80/32/15/921803215.db2.gz XPOYOQGTPHTBDD-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C[C@H](O)COC ZINC001377337890 921806005 /nfs/dbraw/zinc/80/60/05/921806005.db2.gz CXELFFFTWDKRMN-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001377379276 921809833 /nfs/dbraw/zinc/80/98/33/921809833.db2.gz LHOKFMBECANIMO-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)C[C@H](C)O ZINC001377355296 921809892 /nfs/dbraw/zinc/80/98/92/921809892.db2.gz MBMNRTPPVJMCGG-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)CC(=O)N(C)C ZINC001377361278 921809019 /nfs/dbraw/zinc/80/90/19/921809019.db2.gz INPKPOOOYTURDH-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)CC(=O)N(C)C ZINC001377361278 921809028 /nfs/dbraw/zinc/80/90/28/921809028.db2.gz INPKPOOOYTURDH-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)C(=O)NC(N)=O ZINC001377359857 921809620 /nfs/dbraw/zinc/80/96/20/921809620.db2.gz ICRFJWFYVGDGIQ-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)C(=O)NC(N)=O ZINC001377359857 921809638 /nfs/dbraw/zinc/80/96/38/921809638.db2.gz ICRFJWFYVGDGIQ-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000149679974 916083048 /nfs/dbraw/zinc/08/30/48/916083048.db2.gz QTNXSPMUKKYYFZ-VIFPVBQESA-N 1 1 311.386 -1.098 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000971480990 916086723 /nfs/dbraw/zinc/08/67/23/916086723.db2.gz CLWLWHHEIHUIEM-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000971480992 916087245 /nfs/dbraw/zinc/08/72/45/916087245.db2.gz CLWLWHHEIHUIEM-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C2)nn1 ZINC000971522455 916087307 /nfs/dbraw/zinc/08/73/07/916087307.db2.gz MCXLZCYQMGIDLP-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C2)nn1 ZINC000971522454 916088103 /nfs/dbraw/zinc/08/81/03/916088103.db2.gz MCXLZCYQMGIDLP-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974392821 916089350 /nfs/dbraw/zinc/08/93/50/916089350.db2.gz KREJCHNALZFWPI-NNYUYHANSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000974393520 916091677 /nfs/dbraw/zinc/09/16/77/916091677.db2.gz YUGPAWHELFDJQM-WISYIIOYSA-N 1 1 323.397 -1.227 20 0 DAADMO O=C(CN1CCOCC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003032810 916094746 /nfs/dbraw/zinc/09/47/46/916094746.db2.gz MERXKFUHHPIVNQ-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001022042450 916097375 /nfs/dbraw/zinc/09/73/75/916097375.db2.gz DEPHYPMZUMISQK-HLTSFMKQSA-N 1 1 305.346 -1.050 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001026487434 916097904 /nfs/dbraw/zinc/09/79/04/916097904.db2.gz MHVDHOKRNONSHI-UDNWOFFPSA-N 1 1 323.357 -1.165 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)C(F)F ZINC001083299075 916104562 /nfs/dbraw/zinc/10/45/62/916104562.db2.gz GKCBRWFCJJHSFO-AEJSXWLSSA-N 1 1 321.324 -1.604 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)C(F)F ZINC001083299075 916104567 /nfs/dbraw/zinc/10/45/67/916104567.db2.gz GKCBRWFCJJHSFO-AEJSXWLSSA-N 1 1 321.324 -1.604 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001083674259 916105851 /nfs/dbraw/zinc/10/58/51/916105851.db2.gz TVEDQGCSPCMUOJ-JLLWLGSASA-N 1 1 310.354 -1.319 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001083674259 916105868 /nfs/dbraw/zinc/10/58/68/916105868.db2.gz TVEDQGCSPCMUOJ-JLLWLGSASA-N 1 1 310.354 -1.319 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1c[nH]nc1[C@H]1CCOC1 ZINC001083674260 916105942 /nfs/dbraw/zinc/10/59/42/916105942.db2.gz TVEDQGCSPCMUOJ-WCQGTBRESA-N 1 1 310.354 -1.319 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1c[nH]nc1[C@H]1CCOC1 ZINC001083674260 916105953 /nfs/dbraw/zinc/10/59/53/916105953.db2.gz TVEDQGCSPCMUOJ-WCQGTBRESA-N 1 1 310.354 -1.319 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090530076 916108282 /nfs/dbraw/zinc/10/82/82/916108282.db2.gz AJGSPTLWOVMOIZ-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090530076 916108289 /nfs/dbraw/zinc/10/82/89/916108289.db2.gz AJGSPTLWOVMOIZ-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088549957 916109305 /nfs/dbraw/zinc/10/93/05/916109305.db2.gz KFCYAYNBPBQNQQ-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088549957 916109322 /nfs/dbraw/zinc/10/93/22/916109322.db2.gz KFCYAYNBPBQNQQ-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(C1=COCCO1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105144699 916115298 /nfs/dbraw/zinc/11/52/98/916115298.db2.gz IWTXYYDPLKNDNH-UHFFFAOYSA-N 1 1 309.326 -1.369 20 0 DAADMO O=C([C@H]1COCCO1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105165905 916118065 /nfs/dbraw/zinc/11/80/65/916118065.db2.gz UGMHTSARLLZIRW-GFCCVEGCSA-N 1 1 311.342 -1.841 20 0 DAADMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197141 916122455 /nfs/dbraw/zinc/12/24/55/916122455.db2.gz HVVZWTKOMGIIOI-VIFPVBQESA-N 1 1 310.358 -1.339 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105192219 916123329 /nfs/dbraw/zinc/12/33/29/916123329.db2.gz NIEREFGAMVDAGK-LBPRGKRZSA-N 1 1 321.385 -1.670 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197452 916125083 /nfs/dbraw/zinc/12/50/83/916125083.db2.gz SXNKDSAUNDUJPK-VIFPVBQESA-N 1 1 310.358 -1.339 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105211285 916125606 /nfs/dbraw/zinc/12/56/06/916125606.db2.gz MZMXJVMQXMJQRP-JTQLQIEISA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105199697 916126038 /nfs/dbraw/zinc/12/60/38/916126038.db2.gz BFEZLPGBILXUAV-UHFFFAOYSA-N 1 1 305.342 -1.291 20 0 DAADMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197470 916126410 /nfs/dbraw/zinc/12/64/10/916126410.db2.gz UWNNQDKAKCEMGC-UHFFFAOYSA-N 1 1 310.358 -1.337 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361211 916129633 /nfs/dbraw/zinc/12/96/33/916129633.db2.gz JRPQSWKZMZHOIH-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114360872 916129663 /nfs/dbraw/zinc/12/96/63/916129663.db2.gz GRFKEAUIEIMSSN-GDGBQDQQSA-N 1 1 318.399 -2.330 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114360872 916129668 /nfs/dbraw/zinc/12/96/68/916129668.db2.gz GRFKEAUIEIMSSN-GDGBQDQQSA-N 1 1 318.399 -2.330 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361197 916129836 /nfs/dbraw/zinc/12/98/36/916129836.db2.gz JEESBAIQKJFSST-SVDPJWKOSA-N 1 1 305.400 -1.647 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114948158 916132282 /nfs/dbraw/zinc/13/22/82/916132282.db2.gz YVTBNSJXJCRKKM-PUHVVEEASA-N 1 1 310.398 -1.012 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CCCN2C(=O)CCC2=O)CC1 ZINC001123996003 916137694 /nfs/dbraw/zinc/13/76/94/916137694.db2.gz UCOUOUWKMZGMCN-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO Cn1cnc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)n1 ZINC001126677712 916139239 /nfs/dbraw/zinc/13/92/39/916139239.db2.gz CKUHLQRFJQHMPJ-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001190257173 916156429 /nfs/dbraw/zinc/15/64/29/916156429.db2.gz DFHAJBNVKXJHKL-BHDSKKPTSA-N 1 1 310.354 -1.250 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001190257173 916156443 /nfs/dbraw/zinc/15/64/43/916156443.db2.gz DFHAJBNVKXJHKL-BHDSKKPTSA-N 1 1 310.354 -1.250 20 0 DAADMO COCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248263 916157432 /nfs/dbraw/zinc/15/74/32/916157432.db2.gz ZXVJZMZLILZTMO-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001198452057 916165070 /nfs/dbraw/zinc/16/50/70/916165070.db2.gz XPSCJBOBGYQOIE-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO Cc1ccccc1C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198459324 916165208 /nfs/dbraw/zinc/16/52/08/916165208.db2.gz SRYVWFJCZLHNHI-ZIAGYGMSSA-N 1 1 321.377 -1.122 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198431213 916165261 /nfs/dbraw/zinc/16/52/61/916165261.db2.gz RTILUQBJBUJUDA-GRYCIOLGSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198431213 916165271 /nfs/dbraw/zinc/16/52/71/916165271.db2.gz RTILUQBJBUJUDA-GRYCIOLGSA-N 1 1 324.385 -1.517 20 0 DAADMO COC(=O)CC[C@H](NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC001251035150 916171530 /nfs/dbraw/zinc/17/15/30/916171530.db2.gz HPFHQQHDJSSDRK-NEPJUHHUSA-N 1 1 318.370 -1.236 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C)CCN1C[C@H](O)CN1CCOCC1 ZINC001251022696 916171934 /nfs/dbraw/zinc/17/19/34/916171934.db2.gz GIAVNSJRHXCFPY-CHWSQXEVSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C)CCN1C[C@H](O)CN1CCOCC1 ZINC001251022696 916171946 /nfs/dbraw/zinc/17/19/46/916171946.db2.gz GIAVNSJRHXCFPY-CHWSQXEVSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)C[C@H](NC[C@@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC001251033851 916172682 /nfs/dbraw/zinc/17/26/82/916172682.db2.gz UIHIDNOGFNBNFU-MNOVXSKESA-N 1 1 304.343 -1.626 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCCO1 ZINC001251025302 916172808 /nfs/dbraw/zinc/17/28/08/916172808.db2.gz WDDKLSUYJFDFFF-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001266743554 916181193 /nfs/dbraw/zinc/18/11/93/916181193.db2.gz OQKPHVXOZDYZQI-OLZOCXBDSA-N 1 1 323.397 -1.052 20 0 DAADMO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)C1=NC(=O)N(C)C1 ZINC001266827152 916184292 /nfs/dbraw/zinc/18/42/92/916184292.db2.gz LGMBFJQTYYWEPG-UHFFFAOYSA-N 1 1 304.372 -1.168 20 0 DAADMO C[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028430 916188557 /nfs/dbraw/zinc/18/85/57/916188557.db2.gz UMDWBQPHTOINIZ-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028430 916188564 /nfs/dbraw/zinc/18/85/64/916188564.db2.gz UMDWBQPHTOINIZ-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028432 916188725 /nfs/dbraw/zinc/18/87/25/916188725.db2.gz UMDWBQPHTOINIZ-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028432 916188729 /nfs/dbraw/zinc/18/87/29/916188729.db2.gz UMDWBQPHTOINIZ-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CC(S(N)(=O)=O)C1 ZINC001311558762 916206280 /nfs/dbraw/zinc/20/62/80/916206280.db2.gz MDJNVFSCSLSKDS-UHFFFAOYSA-N 1 1 308.404 -1.363 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)N1CC2(C1)NC(=O)NC2=O ZINC001312779069 916209726 /nfs/dbraw/zinc/20/97/26/916209726.db2.gz SIBABVQOGBSSKE-UHFFFAOYSA-N 1 1 311.342 -1.688 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)c1cnn(C)n1 ZINC001316764934 916219802 /nfs/dbraw/zinc/21/98/02/916219802.db2.gz IYCSUKKISUVCKG-JTQLQIEISA-N 1 1 312.374 -1.291 20 0 DAADMO CC(=O)NCC(=O)N(C)CCOCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001316761181 916221802 /nfs/dbraw/zinc/22/18/02/916221802.db2.gz YCMSYDGQCBSVRR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001316743113 916221956 /nfs/dbraw/zinc/22/19/56/916221956.db2.gz BMGJOJFSHCVUFP-GHMZBOCLSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001316743113 916221976 /nfs/dbraw/zinc/22/19/76/916221976.db2.gz BMGJOJFSHCVUFP-GHMZBOCLSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001316764311 916222495 /nfs/dbraw/zinc/22/24/95/916222495.db2.gz RXVRVEAXTXWQQY-LBPRGKRZSA-N 1 1 322.427 -1.180 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCOCC1=O)[C@H]1CCNC1=O ZINC001316827801 916228187 /nfs/dbraw/zinc/22/81/87/916228187.db2.gz FAKDRWCIKGPNHA-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001316866165 916230867 /nfs/dbraw/zinc/23/08/67/916230867.db2.gz XVALDFOYMLBCPP-UHFFFAOYSA-N 1 1 311.342 -1.716 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001316850416 916231303 /nfs/dbraw/zinc/23/13/03/916231303.db2.gz ZVSQJXIIDPVFKO-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1ncn(C)n1)CC(=O)NC(N)=O ZINC001316887712 916231847 /nfs/dbraw/zinc/23/18/47/916231847.db2.gz BRERMQMTOUYGHF-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cc1ncc[nH]1 ZINC001316857626 916231952 /nfs/dbraw/zinc/23/19/52/916231952.db2.gz AUHIMUSSOKRABD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001316852458 916232975 /nfs/dbraw/zinc/23/29/75/916232975.db2.gz KAGOFOKPPKXSLA-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001316853455 916234495 /nfs/dbraw/zinc/23/44/95/916234495.db2.gz FWOGHXWCNWPHIE-SECBINFHSA-N 1 1 314.342 -1.774 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cc[nH]c(=O)c1=O)CC(N)=O ZINC001316857230 916234723 /nfs/dbraw/zinc/23/47/23/916234723.db2.gz VNIKNFOAPRUNBF-UHFFFAOYSA-N 1 1 311.342 -2.150 20 0 DAADMO C[N@@H+](CCCO)CCCNC(=O)CN1CCC(=O)NC1=O ZINC001316860657 916235650 /nfs/dbraw/zinc/23/56/50/916235650.db2.gz VOKOHDIKWBZLAW-UHFFFAOYSA-N 1 1 300.359 -1.251 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCCCS1(=O)=O)CC(N)=O ZINC001316838576 916235750 /nfs/dbraw/zinc/23/57/50/916235750.db2.gz YPXHDBQNHKUQNW-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)Cc1nc(=O)n(C)[nH]1 ZINC001316886329 916235811 /nfs/dbraw/zinc/23/58/11/916235811.db2.gz BXRSIXYQFGYMIW-SNVBAGLBSA-N 1 1 324.385 -1.285 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cncn1)[C@H]1CCC(=O)NC1=O ZINC001316864077 916236310 /nfs/dbraw/zinc/23/63/10/916236310.db2.gz APMPKIRGHCLWHI-JTQLQIEISA-N 1 1 308.342 -1.479 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001316957253 916237114 /nfs/dbraw/zinc/23/71/14/916237114.db2.gz LDLRUWOQSFUXJO-LLVKDONJSA-N 1 1 313.402 -1.880 20 0 DAADMO CC[N@H+](CCCNC(=O)C(N)=O)CC(=O)Nc1cnccn1 ZINC001316901777 916237155 /nfs/dbraw/zinc/23/71/55/916237155.db2.gz RDERANHJPHDOLR-UHFFFAOYSA-N 1 1 308.342 -1.271 20 0 DAADMO CC[N@@H+](CCCNC(=O)C(N)=O)CC(=O)Nc1cnccn1 ZINC001316901777 916237171 /nfs/dbraw/zinc/23/71/71/916237171.db2.gz RDERANHJPHDOLR-UHFFFAOYSA-N 1 1 308.342 -1.271 20 0 DAADMO NC(=O)CC(=O)NCCC[NH+]1CCN(Cc2ncccn2)CC1 ZINC001316957658 916237206 /nfs/dbraw/zinc/23/72/06/916237206.db2.gz OVUQXXFSPHZSHI-UHFFFAOYSA-N 1 1 320.397 -1.024 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN1CCCNC1=O)CC(=O)NC ZINC001316897483 916239287 /nfs/dbraw/zinc/23/92/87/916239287.db2.gz YQELYCGAZZGULY-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CCNC(=O)CN1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001316957567 916239651 /nfs/dbraw/zinc/23/96/51/916239651.db2.gz NVXZAKJNYNKCEC-UHFFFAOYSA-N 1 1 313.402 -1.878 20 0 DAADMO CC[N@@H+](CCCNC(=O)Cn1ncn(C)c1=O)[C@H]1CCNC1=O ZINC001316896455 916239763 /nfs/dbraw/zinc/23/97/63/916239763.db2.gz RBOASCKVCOPKDS-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN1CCNC(=O)C1)C[C@@H](C)O ZINC001316897512 916240393 /nfs/dbraw/zinc/24/03/93/916240393.db2.gz NGRVHYRXEFNBMR-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO O=C(CCn1cnnn1)NCCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001316925952 916240442 /nfs/dbraw/zinc/24/04/42/916240442.db2.gz UKOPMYLKDGKMTC-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001316937582 916241001 /nfs/dbraw/zinc/24/10/01/916241001.db2.gz MBOGXNLIIYFWFL-GFCCVEGCSA-N 1 1 324.381 -1.148 20 0 DAADMO CC[N@H+](CCCNC(=O)c1nnn(C)n1)CCS(C)(=O)=O ZINC001316899734 916241290 /nfs/dbraw/zinc/24/12/90/916241290.db2.gz OBKSTSWMIZUYHS-UHFFFAOYSA-N 1 1 318.403 -1.304 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1nnn(C)n1)CCS(C)(=O)=O ZINC001316899734 916241311 /nfs/dbraw/zinc/24/13/11/916241311.db2.gz OBKSTSWMIZUYHS-UHFFFAOYSA-N 1 1 318.403 -1.304 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCC(=O)NC1=O ZINC001316907787 916241932 /nfs/dbraw/zinc/24/19/32/916241932.db2.gz SADKAACMIVYCMY-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(Cc2csnn2)CC1 ZINC001316962304 916245424 /nfs/dbraw/zinc/24/54/24/916245424.db2.gz KHVTUBSZYKIYRK-UHFFFAOYSA-N 1 1 312.399 -1.353 20 0 DAADMO CCC(=O)NCC(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001316958010 916245468 /nfs/dbraw/zinc/24/54/68/916245468.db2.gz UWODQEYGCXZEKG-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO NC(=O)C(=O)NCCN1CC[NH+](CCN2CCCC2=O)CC1 ZINC001316966548 916246103 /nfs/dbraw/zinc/24/61/03/916246103.db2.gz GHMDMALLNVMIHV-UHFFFAOYSA-N 1 1 311.386 -2.172 20 0 DAADMO C[C@H](O)CN1CC[NH+](CCCNC(=O)Cn2cncn2)CC1 ZINC001316962434 916246385 /nfs/dbraw/zinc/24/63/85/916246385.db2.gz XOBNFPHMDNHNJN-ZDUSSCGKSA-N 1 1 310.402 -1.217 20 0 DAADMO Cc1nonc1CN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001316961685 916246706 /nfs/dbraw/zinc/24/67/06/916246706.db2.gz CIXHQTAFTXEIGR-UHFFFAOYSA-N 1 1 310.358 -1.513 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985768 916250048 /nfs/dbraw/zinc/25/00/48/916250048.db2.gz NDRJVLLRJRAKPT-BDAKNGLRSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985768 916250063 /nfs/dbraw/zinc/25/00/63/916250063.db2.gz NDRJVLLRJRAKPT-BDAKNGLRSA-N 1 1 308.338 -1.752 20 0 DAADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C1)NC(N)=O ZINC001316978316 916252285 /nfs/dbraw/zinc/25/22/85/916252285.db2.gz VFMFQXJKOQBNJD-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317024540 916255133 /nfs/dbraw/zinc/25/51/33/916255133.db2.gz FMUUFZVUCMBJRV-WDEREUQCSA-N 1 1 306.370 -1.064 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]([NH2+]Cc1cnon1)C1CC1 ZINC001317025747 916260946 /nfs/dbraw/zinc/26/09/46/916260946.db2.gz CVIMVQRPNCDLJH-SNVBAGLBSA-N 1 1 322.325 -1.394 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001317113631 916265670 /nfs/dbraw/zinc/26/56/70/916265670.db2.gz NCVBCEDQCFUBPR-OCAPTIKFSA-N 1 1 302.360 -1.796 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317106893 916267372 /nfs/dbraw/zinc/26/73/72/916267372.db2.gz GHPBCWSRQDIKDD-KXUCPTDWSA-N 1 1 320.353 -1.221 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001317135945 916269229 /nfs/dbraw/zinc/26/92/29/916269229.db2.gz VDBTVDBVLHCEKZ-NWDGAFQWSA-N 1 1 309.370 -1.443 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001317176211 916275467 /nfs/dbraw/zinc/27/54/67/916275467.db2.gz ABBDVBLOJJWLAM-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC001317176211 916275486 /nfs/dbraw/zinc/27/54/86/916275486.db2.gz ABBDVBLOJJWLAM-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001317256304 916279740 /nfs/dbraw/zinc/27/97/40/916279740.db2.gz KZWTYPMEVGJTBY-UWVGGRQHSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCN1C(=O)CNC1=O ZINC001317271635 916282372 /nfs/dbraw/zinc/28/23/72/916282372.db2.gz PUIRLPFROWBWQF-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001317271635 916282389 /nfs/dbraw/zinc/28/23/89/916282389.db2.gz PUIRLPFROWBWQF-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)CCN2C(=O)CNC2=O)nn1 ZINC001317467989 916300023 /nfs/dbraw/zinc/30/00/23/916300023.db2.gz NQRFAOPHDXXRRO-UHFFFAOYSA-N 1 1 323.357 -1.489 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317460091 916300480 /nfs/dbraw/zinc/30/04/80/916300480.db2.gz WDCKZWDPIJMDDB-SNVBAGLBSA-N 1 1 323.353 -1.105 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317460091 916300500 /nfs/dbraw/zinc/30/05/00/916300500.db2.gz WDCKZWDPIJMDDB-SNVBAGLBSA-N 1 1 323.353 -1.105 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317461588 916301120 /nfs/dbraw/zinc/30/11/20/916301120.db2.gz YSXCAVBHUHZMPV-WDEREUQCSA-N 1 1 312.370 -1.246 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317461588 916301142 /nfs/dbraw/zinc/30/11/42/916301142.db2.gz YSXCAVBHUHZMPV-WDEREUQCSA-N 1 1 312.370 -1.246 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)ccc1=O ZINC001317468971 916304229 /nfs/dbraw/zinc/30/42/29/916304229.db2.gz HKMDWXXHKYQGOO-SNVBAGLBSA-N 1 1 321.337 -1.753 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)ccc1=O ZINC001317468971 916304250 /nfs/dbraw/zinc/30/42/50/916304250.db2.gz HKMDWXXHKYQGOO-SNVBAGLBSA-N 1 1 321.337 -1.753 20 0 DAADMO CC[C@]1(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454020 916304776 /nfs/dbraw/zinc/30/47/76/916304776.db2.gz XCVWOBYYTWRTGQ-BONVTDFDSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[C@]1(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454020 916304796 /nfs/dbraw/zinc/30/47/96/916304796.db2.gz XCVWOBYYTWRTGQ-BONVTDFDSA-N 1 1 324.381 -1.244 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317457498 916304858 /nfs/dbraw/zinc/30/48/58/916304858.db2.gz UWPBBBJNRYFQHJ-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317457498 916304878 /nfs/dbraw/zinc/30/48/78/916304878.db2.gz UWPBBBJNRYFQHJ-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1CNC(=O)CC(N)=O ZINC001317494109 916305559 /nfs/dbraw/zinc/30/55/59/916305559.db2.gz AECXWVXOODDRND-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1CNC(=O)CC(N)=O ZINC001317494109 916305578 /nfs/dbraw/zinc/30/55/78/916305578.db2.gz AECXWVXOODDRND-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475971 916305844 /nfs/dbraw/zinc/30/58/44/916305844.db2.gz OBFZJTVOGJQDBJ-UWVGGRQHSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001317475971 916305864 /nfs/dbraw/zinc/30/58/64/916305864.db2.gz OBFZJTVOGJQDBJ-UWVGGRQHSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCN(C)C1=O)C[C@@H](O)COC ZINC001317483326 916306333 /nfs/dbraw/zinc/30/63/33/916306333.db2.gz DGJBKAJWTRCLGD-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001317487386 916306545 /nfs/dbraw/zinc/30/65/45/916306545.db2.gz VUYNEYHJGLDZND-UHFFFAOYSA-N 1 1 314.342 -1.773 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475970 916307917 /nfs/dbraw/zinc/30/79/17/916307917.db2.gz OBFZJTVOGJQDBJ-NXEZZACHSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001317475970 916307937 /nfs/dbraw/zinc/30/79/37/916307937.db2.gz OBFZJTVOGJQDBJ-NXEZZACHSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCN(C)C1=O)C[C@H](O)COC ZINC001317483321 916308309 /nfs/dbraw/zinc/30/83/09/916308309.db2.gz DGJBKAJWTRCLGD-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)CC(=O)N(C)C ZINC001317479224 916310810 /nfs/dbraw/zinc/31/08/10/916310810.db2.gz DJJAMEXRSQEADV-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)CC(=O)N(C)C ZINC001317479224 916310832 /nfs/dbraw/zinc/31/08/32/916310832.db2.gz DJJAMEXRSQEADV-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001317510507 916311846 /nfs/dbraw/zinc/31/18/46/916311846.db2.gz WLZVABGDKYUZFF-LLVKDONJSA-N 1 1 323.397 -1.142 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317507667 916312287 /nfs/dbraw/zinc/31/22/87/916312287.db2.gz JZKSPKQQSRZQBU-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(N)=O ZINC001317507667 916312306 /nfs/dbraw/zinc/31/23/06/916312306.db2.gz JZKSPKQQSRZQBU-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCOCCO)C1)[C@H]1COC(=O)N1 ZINC001317517827 916316287 /nfs/dbraw/zinc/31/62/87/916316287.db2.gz DXRRQVZOMXVBCM-WDEREUQCSA-N 1 1 301.343 -1.458 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001317528908 916318179 /nfs/dbraw/zinc/31/81/79/916318179.db2.gz UXWXJQDBCKSOLM-QWRGUYRKSA-N 1 1 301.387 -1.057 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001317547000 916318885 /nfs/dbraw/zinc/31/88/85/916318885.db2.gz WMUANSAJXOBVPC-OUAUKWLOSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001317531244 916320748 /nfs/dbraw/zinc/32/07/48/916320748.db2.gz BCNDCTYFVIDZHL-NEPJUHHUSA-N 1 1 308.382 -1.161 20 0 DAADMO Cn1c(C[N@H+](CCNC(=O)C(N)=O)C2CC2)cc(=O)n(C)c1=O ZINC001317556166 916324584 /nfs/dbraw/zinc/32/45/84/916324584.db2.gz COVRPGKZCAIFKT-UHFFFAOYSA-N 1 1 323.353 -2.350 20 0 DAADMO Cn1c(C[N@@H+](CCNC(=O)C(N)=O)C2CC2)cc(=O)n(C)c1=O ZINC001317556166 916324604 /nfs/dbraw/zinc/32/46/04/916324604.db2.gz COVRPGKZCAIFKT-UHFFFAOYSA-N 1 1 323.353 -2.350 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001317530165 916324867 /nfs/dbraw/zinc/32/48/67/916324867.db2.gz FDHVCINUMDZPOW-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1CCF)C(=O)[C@H]1COC(=O)N1 ZINC001317583396 916326054 /nfs/dbraw/zinc/32/60/54/916326054.db2.gz MPDVSJXOOFWBQS-SECBINFHSA-N 1 1 314.321 -1.096 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)CC1CS(=O)(=O)C1 ZINC001317602837 916330208 /nfs/dbraw/zinc/33/02/08/916330208.db2.gz CMBYMALLJDNWLM-UHFFFAOYSA-N 1 1 315.399 -1.202 20 0 DAADMO CN(CC[NH2+]Cc1ccon1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001317592245 916333117 /nfs/dbraw/zinc/33/31/17/916333117.db2.gz BXBRPIHTKNYRLR-UHFFFAOYSA-N 1 1 321.337 -1.217 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001317616366 916334084 /nfs/dbraw/zinc/33/40/84/916334084.db2.gz UCKODQNAZBEWIL-UHFFFAOYSA-N 1 1 309.330 -1.673 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CCn1ncn(C)c1=O ZINC001317613937 916336675 /nfs/dbraw/zinc/33/66/75/916336675.db2.gz ADXQLSXMKIQXLB-UHFFFAOYSA-N 1 1 322.373 -1.651 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001317645322 916340212 /nfs/dbraw/zinc/34/02/12/916340212.db2.gz JPYOAACKNXSPRZ-UHFFFAOYSA-N 1 1 306.330 -1.501 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001317627616 916340304 /nfs/dbraw/zinc/34/03/04/916340304.db2.gz UPWKHZPEDBWYEJ-ZJUUUORDSA-N 1 1 309.374 -1.340 20 0 DAADMO CN(CC[NH2+]CCCS(C)(=O)=O)C(=O)Cc1ncn[nH]1 ZINC001317648693 916343587 /nfs/dbraw/zinc/34/35/87/916343587.db2.gz OJOWJKMJNHKKQU-UHFFFAOYSA-N 1 1 303.388 -1.170 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001317655537 916344647 /nfs/dbraw/zinc/34/46/47/916344647.db2.gz YXQHURGSCRTQAT-UHFFFAOYSA-N 1 1 318.403 -1.746 20 0 DAADMO CNC(=O)C1(C(=O)N(C)CC[NH2+]Cc2nnnn2C)CCC1 ZINC001317652436 916345701 /nfs/dbraw/zinc/34/57/01/916345701.db2.gz MIALJZCMNHQHGM-UHFFFAOYSA-N 1 1 309.374 -1.326 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)Cn1ncnn1)CC(=O)N(C)C ZINC001317687169 916349826 /nfs/dbraw/zinc/34/98/26/916349826.db2.gz WJQXVNUQBQONQM-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO NC(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001317777917 916349899 /nfs/dbraw/zinc/34/98/99/916349899.db2.gz CVMVXQZHESJRTA-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001317853250 916352287 /nfs/dbraw/zinc/35/22/87/916352287.db2.gz JRLRDYABGKBPNO-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001317862328 916355261 /nfs/dbraw/zinc/35/52/61/916355261.db2.gz VTUAGGJRONIGLC-MNOVXSKESA-N 1 1 324.381 -1.211 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001317856006 916355517 /nfs/dbraw/zinc/35/55/17/916355517.db2.gz ZZIPYFSHINNKKG-MNOVXSKESA-N 1 1 319.427 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001317954993 916357159 /nfs/dbraw/zinc/35/71/59/916357159.db2.gz AIEHKDXMRNKWCT-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001317954993 916357178 /nfs/dbraw/zinc/35/71/78/916357178.db2.gz AIEHKDXMRNKWCT-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)C1=O ZINC001318208854 916375575 /nfs/dbraw/zinc/37/55/75/916375575.db2.gz CBSKYDVDHZVKGF-WUHRBBMRSA-N 1 1 311.382 -1.243 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001318168573 916375761 /nfs/dbraw/zinc/37/57/61/916375761.db2.gz HOPQCYXPALMJLB-UHFFFAOYSA-N 1 1 321.341 -2.053 20 0 DAADMO CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001318203989 916376703 /nfs/dbraw/zinc/37/67/03/916376703.db2.gz CVPLTKFDAOOIIN-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO Cn1cncc1CC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318168516 916377512 /nfs/dbraw/zinc/37/75/12/916377512.db2.gz FQKLFJJEUUKBLK-LBPRGKRZSA-N 1 1 319.365 -1.184 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318253510 916378854 /nfs/dbraw/zinc/37/88/54/916378854.db2.gz RMUMRBQJFUTPPV-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001318290621 916379913 /nfs/dbraw/zinc/37/99/13/916379913.db2.gz DOGLXPNQMZKNJX-MNOVXSKESA-N 1 1 310.354 -1.502 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001318231923 916381279 /nfs/dbraw/zinc/38/12/79/916381279.db2.gz UVELZUZVGSPETP-ZDUSSCGKSA-N 1 1 314.386 -1.534 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001318261179 916381710 /nfs/dbraw/zinc/38/17/10/916381710.db2.gz USFQIHRONRYZGD-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318320244 916385799 /nfs/dbraw/zinc/38/57/99/916385799.db2.gz AWBASGQXFPJRMI-GHMZBOCLSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001318320244 916385819 /nfs/dbraw/zinc/38/58/19/916385819.db2.gz AWBASGQXFPJRMI-GHMZBOCLSA-N 1 1 317.411 -1.123 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318321728 916385857 /nfs/dbraw/zinc/38/58/57/916385857.db2.gz STDUUBUKYNRWER-BDAKNGLRSA-N 1 1 312.326 -1.662 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318321728 916385877 /nfs/dbraw/zinc/38/58/77/916385877.db2.gz STDUUBUKYNRWER-BDAKNGLRSA-N 1 1 312.326 -1.662 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318334372 916386378 /nfs/dbraw/zinc/38/63/78/916386378.db2.gz YODTWFHHSHWZMX-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318399204 916389086 /nfs/dbraw/zinc/38/90/86/916389086.db2.gz DQRFCJHQZVKFSR-GHMZBOCLSA-N 1 1 301.343 -1.364 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC001318351923 916389420 /nfs/dbraw/zinc/38/94/20/916389420.db2.gz YWNQXSGRBORJOF-SFYZADRCSA-N 1 1 313.276 -1.398 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001318393238 916390179 /nfs/dbraw/zinc/39/01/79/916390179.db2.gz JCCXBVGGYFHZGW-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(CC[N@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001318396962 916390237 /nfs/dbraw/zinc/39/02/37/916390237.db2.gz ZIQXLDXHMZJNSC-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](N(C)C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001318396962 916390256 /nfs/dbraw/zinc/39/02/56/916390256.db2.gz ZIQXLDXHMZJNSC-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001318371178 916391593 /nfs/dbraw/zinc/39/15/93/916391593.db2.gz NTEUGSKITFZAIC-CYBMUJFWSA-N 1 1 324.385 -1.379 20 0 DAADMO CN(C(=O)CCCN1C(=O)CNC1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001318444601 916394300 /nfs/dbraw/zinc/39/43/00/916394300.db2.gz GPVLALQDSHXQFO-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CCN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001318466657 916394444 /nfs/dbraw/zinc/39/44/44/916394444.db2.gz XIEAORCZZISVPF-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C(=O)CCCN1C(=O)CNC1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001318444602 916394933 /nfs/dbraw/zinc/39/49/33/916394933.db2.gz GPVLALQDSHXQFO-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO COCCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318402629 916397576 /nfs/dbraw/zinc/39/75/76/916397576.db2.gz LYDPUXGLFGTEKG-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001318519842 916400714 /nfs/dbraw/zinc/40/07/14/916400714.db2.gz XZJGTKPYIAYTIG-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001318840801 916409865 /nfs/dbraw/zinc/40/98/65/916409865.db2.gz XZPCORWVAUIPQC-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO COCCN1C(=O)C[C@@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001318985763 916414306 /nfs/dbraw/zinc/41/43/06/916414306.db2.gz SMBSZESQIMTGOG-LLVKDONJSA-N 1 1 313.354 -1.273 20 0 DAADMO O=C(COCC(=O)NCC[NH+]1CC=CC1)NCCN1CC=CC1 ZINC001319036688 916417501 /nfs/dbraw/zinc/41/75/01/916417501.db2.gz UQOPUSQKTQKSFJ-UHFFFAOYSA-N 1 1 322.409 -1.021 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)C[NH2+]CCN1C(=O)CNC1=O ZINC001319205041 916423316 /nfs/dbraw/zinc/42/33/16/916423316.db2.gz JJAKLNIJZWHGDI-MRVPVSSYSA-N 1 1 309.330 -1.688 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](C)CCNS(C)(=O)=O ZINC001319661741 916445371 /nfs/dbraw/zinc/44/53/71/916445371.db2.gz DISNLMLOFILZDD-UHFFFAOYSA-N 1 1 301.434 -1.203 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001319471718 916435449 /nfs/dbraw/zinc/43/54/49/916435449.db2.gz FBJHGTHMFJWLKS-SCZZXKLOSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1=NC(=O)N(C)C1 ZINC001319525715 916440716 /nfs/dbraw/zinc/44/07/16/916440716.db2.gz PYVDBLMMJOPIMF-RKDXNWHRSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001319559790 916443973 /nfs/dbraw/zinc/44/39/73/916443973.db2.gz IDRFASKTNJBPPL-JTQLQIEISA-N 1 1 309.374 -1.191 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1C(=O)CCC1=O ZINC001319582503 916444048 /nfs/dbraw/zinc/44/40/48/916444048.db2.gz UXEGCFWXFSOBEM-JTQLQIEISA-N 1 1 322.369 -1.099 20 0 DAADMO COc1ncc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1C(N)=O ZINC001319532117 916444241 /nfs/dbraw/zinc/44/42/41/916444241.db2.gz MMSULOCEUYXGIE-UHFFFAOYSA-N 1 1 321.337 -1.051 20 0 DAADMO COC(=O)CCNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001319646658 916446412 /nfs/dbraw/zinc/44/64/12/916446412.db2.gz NHGAXYJEIQQXKP-UHFFFAOYSA-N 1 1 312.326 -1.660 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001319904773 916452298 /nfs/dbraw/zinc/45/22/98/916452298.db2.gz NBUSLKZANNHPOU-JTQLQIEISA-N 1 1 311.390 -1.033 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC3CCOCC3)C[C@@H]12 ZINC001319904469 916453479 /nfs/dbraw/zinc/45/34/79/916453479.db2.gz KHYDPTSMPFUTDM-JQWIXIFHSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC3CCOCC3)C[C@@H]12 ZINC001319904469 916453488 /nfs/dbraw/zinc/45/34/88/916453488.db2.gz KHYDPTSMPFUTDM-JQWIXIFHSA-N 1 1 313.354 -1.221 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001319904774 916453872 /nfs/dbraw/zinc/45/38/72/916453872.db2.gz NBUSLKZANNHPOU-SNVBAGLBSA-N 1 1 311.390 -1.033 20 0 DAADMO CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001319917566 916457386 /nfs/dbraw/zinc/45/73/86/916457386.db2.gz MBGXZBNOUDQGLX-VHSXEESVSA-N 1 1 324.341 -1.102 20 0 DAADMO CN(CC[N@@H+](C)CCCN1C(=O)CNC1=O)C(=O)c1cn[nH]n1 ZINC001320017302 916463481 /nfs/dbraw/zinc/46/34/81/916463481.db2.gz ZXJRUOWNIMPABZ-UHFFFAOYSA-N 1 1 323.357 -1.250 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001320043318 916464779 /nfs/dbraw/zinc/46/47/79/916464779.db2.gz XWGYDAVCQURKHQ-BMIGLBTASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001320043318 916464798 /nfs/dbraw/zinc/46/47/98/916464798.db2.gz XWGYDAVCQURKHQ-BMIGLBTASA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001320016645 916465613 /nfs/dbraw/zinc/46/56/13/916465613.db2.gz RZBYFECOOIBFSN-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001320016645 916465620 /nfs/dbraw/zinc/46/56/20/916465620.db2.gz RZBYFECOOIBFSN-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001320110050 916466913 /nfs/dbraw/zinc/46/69/13/916466913.db2.gz DVNMLDQVENDZPW-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(CCCNC(=O)C[NH2+]C1(C(N)=O)CC1)S(C)(=O)=O ZINC001320098906 916467235 /nfs/dbraw/zinc/46/72/35/916467235.db2.gz AXBGRJZUNGUWRF-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001320079994 916467584 /nfs/dbraw/zinc/46/75/84/916467584.db2.gz DCJNOXZVJPGLCS-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320183963 916470457 /nfs/dbraw/zinc/47/04/57/916470457.db2.gz CRWLYQIXMFEEDO-LLVKDONJSA-N 1 1 306.326 -1.671 20 0 DAADMO NC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1noc2c1CCCC2 ZINC001320200610 916474608 /nfs/dbraw/zinc/47/46/08/916474608.db2.gz HAUYGYQXFUHTIA-SECBINFHSA-N 1 1 310.354 -1.005 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001320215656 916480696 /nfs/dbraw/zinc/48/06/96/916480696.db2.gz IZVXZXWTNXRBAP-VHSXEESVSA-N 1 1 312.374 -1.531 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001320215655 916481367 /nfs/dbraw/zinc/48/13/67/916481367.db2.gz IZVXZXWTNXRBAP-UWVGGRQHSA-N 1 1 312.374 -1.531 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001320222494 916481569 /nfs/dbraw/zinc/48/15/69/916481569.db2.gz AGSCJSAUNWNLJE-ZDUSSCGKSA-N 1 1 313.358 -1.706 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)c1[nH]nc2c1CCC2 ZINC001320241778 916482982 /nfs/dbraw/zinc/48/29/82/916482982.db2.gz IBNFUJYQJAFDJB-SNVBAGLBSA-N 1 1 319.369 -1.130 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001320271442 916490525 /nfs/dbraw/zinc/49/05/25/916490525.db2.gz BWSDVHAJHXBSSE-NOZJJQNGSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@H](O)CCC[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001320271087 916490739 /nfs/dbraw/zinc/49/07/39/916490739.db2.gz QVHGZGVBWFXTSY-UWVGGRQHSA-N 1 1 300.359 -1.033 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001320266152 916490809 /nfs/dbraw/zinc/49/08/09/916490809.db2.gz ZUBOGKZHTWGPDL-STQMWFEESA-N 1 1 310.402 -1.171 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)n1 ZINC001320270072 916491669 /nfs/dbraw/zinc/49/16/69/916491669.db2.gz HLTRHLTXFLZFPU-SNVBAGLBSA-N 1 1 307.354 -1.383 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)n1 ZINC001320265105 916492007 /nfs/dbraw/zinc/49/20/07/916492007.db2.gz VVBWJENYMJFFCJ-NWDGAFQWSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001320272715 916494223 /nfs/dbraw/zinc/49/42/23/916494223.db2.gz JANXPYDCOMKRGP-GXFFZTMASA-N 1 1 310.358 -2.092 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC001320300964 916502447 /nfs/dbraw/zinc/50/24/47/916502447.db2.gz CGKPREWDYYCOJT-UHFFFAOYSA-N 1 1 310.354 -1.246 20 0 DAADMO NC(=O)NC1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001320442105 916507141 /nfs/dbraw/zinc/50/71/41/916507141.db2.gz VJLHTEHQNOAUMM-JTQLQIEISA-N 1 1 311.386 -1.109 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001320427993 916507846 /nfs/dbraw/zinc/50/78/46/916507846.db2.gz PJHNXDVLNOMVTE-UHFFFAOYSA-N 1 1 323.353 -1.451 20 0 DAADMO NC(=O)NC1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001320442106 916508911 /nfs/dbraw/zinc/50/89/11/916508911.db2.gz VJLHTEHQNOAUMM-SNVBAGLBSA-N 1 1 311.386 -1.109 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001320405142 916509323 /nfs/dbraw/zinc/50/93/23/916509323.db2.gz CEQYXMSWXUBZAO-VIFPVBQESA-N 1 1 312.378 -1.486 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001320542040 916513667 /nfs/dbraw/zinc/51/36/67/916513667.db2.gz CYSSVHPALCSQTL-ZANVPECISA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC001320553065 916515447 /nfs/dbraw/zinc/51/54/47/916515447.db2.gz FWLHJCWHNFDZPJ-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1CC)C(=O)Cn1cnnn1 ZINC001320673551 916520781 /nfs/dbraw/zinc/52/07/81/916520781.db2.gz DDXAMAZBOXGHHL-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)C1CN(C(C)=O)C1 ZINC001320723457 916528104 /nfs/dbraw/zinc/52/81/04/916528104.db2.gz YFOZIVSEZQJRTO-UHFFFAOYSA-N 1 1 309.374 -1.374 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)c1cn[nH]c(=O)c1 ZINC001320766461 916528301 /nfs/dbraw/zinc/52/83/01/916528301.db2.gz GVJAJBLJHXVQQB-UHFFFAOYSA-N 1 1 306.330 -1.042 20 0 DAADMO CCN(CC[NH2+]Cc1nccn1C)C(=O)CN1CCNC(=O)C1 ZINC001320812091 916532033 /nfs/dbraw/zinc/53/20/33/916532033.db2.gz VTOYLZPLGYQRFC-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)CS(=O)(=O)NC ZINC001320919583 916534084 /nfs/dbraw/zinc/53/40/84/916534084.db2.gz AQFHENLWRDJSNL-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO COC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001320986335 916538383 /nfs/dbraw/zinc/53/83/83/916538383.db2.gz NMXAJTHJPODIRD-ONEGZZNKSA-N 1 1 312.330 -1.774 20 0 DAADMO Cn1nncc1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321045203 916541219 /nfs/dbraw/zinc/54/12/19/916541219.db2.gz PKFAYNNFAQYJKC-ARJAWSKDSA-N 1 1 306.330 -1.687 20 0 DAADMO Cn1nncc1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321045204 916541253 /nfs/dbraw/zinc/54/12/53/916541253.db2.gz PKFAYNNFAQYJKC-ONEGZZNKSA-N 1 1 306.330 -1.687 20 0 DAADMO NC(=O)NC(=O)CNC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321064714 916544264 /nfs/dbraw/zinc/54/42/64/916544264.db2.gz OIPNPTUJVSZEEP-ISUDXETCSA-N 1 1 323.397 -1.215 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CCNC2=O)nc1=O ZINC001321089382 916544402 /nfs/dbraw/zinc/54/44/02/916544402.db2.gz AWJUDSJIGRAGDP-PBKGFPTLSA-N 1 1 322.369 -1.603 20 0 DAADMO NC(=O)NC(=O)CNC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321064713 916545757 /nfs/dbraw/zinc/54/57/57/916545757.db2.gz OIPNPTUJVSZEEP-BIOMNHJASA-N 1 1 323.397 -1.215 20 0 DAADMO CCn1cc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001321219224 916555793 /nfs/dbraw/zinc/55/57/93/916555793.db2.gz DTTYQWGUDGLJAW-DLRQAJBASA-N 1 1 307.358 -1.259 20 0 DAADMO CN(C(=O)C(=O)NCCC[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC001321367976 916570286 /nfs/dbraw/zinc/57/02/86/916570286.db2.gz VJFNVTIKCVQODA-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC001321510231 916576458 /nfs/dbraw/zinc/57/64/58/916576458.db2.gz VYBGGJVDNACBBT-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccon2)CC1 ZINC001321503317 916577024 /nfs/dbraw/zinc/57/70/24/916577024.db2.gz VANPOROULMWBNX-UHFFFAOYSA-N 1 1 323.353 -1.429 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC001321528612 916579058 /nfs/dbraw/zinc/57/90/58/916579058.db2.gz JZZXRKLDNULVEI-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001321533292 916580151 /nfs/dbraw/zinc/58/01/51/916580151.db2.gz VAESEZZMUFUVRG-ZJUUUORDSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCCN1C ZINC001321617843 916582202 /nfs/dbraw/zinc/58/22/02/916582202.db2.gz SBCHSPLJYGVORE-GHMZBOCLSA-N 1 1 306.432 -1.276 20 0 DAADMO COC(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)OC ZINC001321577354 916582748 /nfs/dbraw/zinc/58/27/48/916582748.db2.gz HOVNFNFSUDNHHQ-GHMZBOCLSA-N 1 1 308.400 -1.307 20 0 DAADMO COC(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)OC ZINC001321577356 916583695 /nfs/dbraw/zinc/58/36/95/916583695.db2.gz HOVNFNFSUDNHHQ-QWRGUYRKSA-N 1 1 308.400 -1.307 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCNC1=O ZINC001321594997 916583720 /nfs/dbraw/zinc/58/37/20/916583720.db2.gz VBWQNHNISQJOQO-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001321735488 916592551 /nfs/dbraw/zinc/59/25/51/916592551.db2.gz IHHHYEMARDTZDO-APPZFPTMSA-N 1 1 310.314 -1.348 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001321820448 916599486 /nfs/dbraw/zinc/59/94/86/916599486.db2.gz FWLTZQUZEYPIPH-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001321823626 916599931 /nfs/dbraw/zinc/59/99/31/916599931.db2.gz ZZYWVSBRPIPQLI-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC001321957648 916612070 /nfs/dbraw/zinc/61/20/70/916612070.db2.gz GNZBOHAYAQEWNN-JTQLQIEISA-N 1 1 317.411 -1.086 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC[C@@H](CO)C1)S(C)(=O)=O ZINC001322015070 916616315 /nfs/dbraw/zinc/61/63/15/916616315.db2.gz BTKKXCLTNMOESH-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1C(=O)CNC1=O ZINC001322070869 916617320 /nfs/dbraw/zinc/61/73/20/916617320.db2.gz YDYQCEXXMRSJQB-QMMMGPOBSA-N 1 1 309.330 -2.039 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001322097913 916619519 /nfs/dbraw/zinc/61/95/19/916619519.db2.gz FZTULSAHZZESPZ-VHSXEESVSA-N 1 1 311.390 -1.048 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195536 916625606 /nfs/dbraw/zinc/62/56/06/916625606.db2.gz HZLAJOASZMXTNB-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCN1C(=O)CCC1=O ZINC001322195536 916625620 /nfs/dbraw/zinc/62/56/20/916625620.db2.gz HZLAJOASZMXTNB-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001322229624 916627838 /nfs/dbraw/zinc/62/78/38/916627838.db2.gz CUNOOHGEFLIHGQ-PSASIEDQSA-N 1 1 321.337 -1.375 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322293002 916629740 /nfs/dbraw/zinc/62/97/40/916629740.db2.gz KHKCJLAJNMFDFD-NXEZZACHSA-N 1 1 300.359 -1.302 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322293003 916630501 /nfs/dbraw/zinc/63/05/01/916630501.db2.gz KHKCJLAJNMFDFD-UWVGGRQHSA-N 1 1 300.359 -1.302 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCn1cnnn1 ZINC001322267948 916631008 /nfs/dbraw/zinc/63/10/08/916631008.db2.gz AJFIUJOQLLNQJW-NXEZZACHSA-N 1 1 323.357 -1.695 20 0 DAADMO CN(CCC[NH2+]Cc1nnnn1C)C(=O)C1CS(=O)(=O)C1 ZINC001322520413 916639926 /nfs/dbraw/zinc/63/99/26/916639926.db2.gz QRKJWXDXZOELSY-UHFFFAOYSA-N 1 1 316.387 -1.807 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001322550876 916642327 /nfs/dbraw/zinc/64/23/27/916642327.db2.gz PKOWKQXMWYFDPH-UHFFFAOYSA-N 1 1 319.387 -1.944 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001322557933 916645413 /nfs/dbraw/zinc/64/54/13/916645413.db2.gz GNRAUPKKAVFLPH-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO Cc1nnc(C[NH2+]CCCN(C)C(=O)Cn2ncn(C)c2=O)o1 ZINC001322579297 916646058 /nfs/dbraw/zinc/64/60/58/916646058.db2.gz AIURMHLCRHLJPO-UHFFFAOYSA-N 1 1 323.357 -1.088 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](OC)[C@@H](OC)C1 ZINC001322606887 916651706 /nfs/dbraw/zinc/65/17/06/916651706.db2.gz DFXPRTPWVLLWDC-TXEJJXNPSA-N 1 1 317.386 -1.447 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCNC(=O)CC1 ZINC001322692124 916656326 /nfs/dbraw/zinc/65/63/26/916656326.db2.gz BEMPDRFZYLMNLB-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC001322695270 916656792 /nfs/dbraw/zinc/65/67/92/916656792.db2.gz QUMYJZZHKHTGBV-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCN1C(=O)CNC1=O ZINC001322709517 916660049 /nfs/dbraw/zinc/66/00/49/916660049.db2.gz BOTHBKNTBAFKNP-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CCN(CCCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322759724 916661815 /nfs/dbraw/zinc/66/18/15/916661815.db2.gz GSBAWYJYJWYEGD-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001322742033 916663182 /nfs/dbraw/zinc/66/31/82/916663182.db2.gz AIFFMTXRKFUYGM-SECBINFHSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(=O)NCCCNS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001322770572 916664637 /nfs/dbraw/zinc/66/46/37/916664637.db2.gz DXHSVEDQCDSNCY-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCNS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001322797859 916667631 /nfs/dbraw/zinc/66/76/31/916667631.db2.gz MHQVHIAPJNMCSW-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[S@@](C)=O)n1C ZINC001322853388 916674281 /nfs/dbraw/zinc/67/42/81/916674281.db2.gz BTUAIQQUNLCYLI-OAQYLSRUSA-N 1 1 315.399 -1.403 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCS(=O)(=O)NC)C(C)C ZINC001322926238 916678435 /nfs/dbraw/zinc/67/84/35/916678435.db2.gz KPWOFXCRRZMPMU-UHFFFAOYSA-N 1 1 322.431 -1.502 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1(C)C ZINC001322936483 916678693 /nfs/dbraw/zinc/67/86/93/916678693.db2.gz ZHZUCAZZZBEUKC-ITGUQSILSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@@H](CO)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322961234 916682346 /nfs/dbraw/zinc/68/23/46/916682346.db2.gz DSFWCKIZJXSJJH-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)n1 ZINC001323004068 916684426 /nfs/dbraw/zinc/68/44/26/916684426.db2.gz HJDVWPGWTDEGQL-UHFFFAOYSA-N 1 1 313.387 -2.009 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC001323010954 916684673 /nfs/dbraw/zinc/68/46/73/916684673.db2.gz OSIGERKBMJFZHZ-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001323010402 916685049 /nfs/dbraw/zinc/68/50/49/916685049.db2.gz YURINNUZXUHDPW-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC001323140969 916694898 /nfs/dbraw/zinc/69/48/98/916694898.db2.gz NEUVULSILKDKEF-SWLSCSKDSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC001323173580 916695369 /nfs/dbraw/zinc/69/53/69/916695369.db2.gz BLISBCZFIIPXOF-MNOVXSKESA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC001323173580 916695379 /nfs/dbraw/zinc/69/53/79/916695379.db2.gz BLISBCZFIIPXOF-MNOVXSKESA-N 1 1 309.370 -1.128 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCNS(C)(=O)=O)C1CC1 ZINC001323227411 916702037 /nfs/dbraw/zinc/70/20/37/916702037.db2.gz VESPJZMUZHDJTP-UHFFFAOYSA-N 1 1 306.388 -2.138 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(CO)C2)C1 ZINC001323243986 916704085 /nfs/dbraw/zinc/70/40/85/916704085.db2.gz AHWLGOPKWDBDNE-SMDDNHRTSA-N 1 1 317.361 -1.244 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001323246457 916704935 /nfs/dbraw/zinc/70/49/35/916704935.db2.gz NEKLCYYDVMBVQP-GFCCVEGCSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001323246457 916704946 /nfs/dbraw/zinc/70/49/46/916704946.db2.gz NEKLCYYDVMBVQP-GFCCVEGCSA-N 1 1 315.370 -1.955 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC(=O)CC1 ZINC001323267074 916708341 /nfs/dbraw/zinc/70/83/41/916708341.db2.gz LZWNXZAAMWXZFD-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CC1 ZINC001323294438 916711437 /nfs/dbraw/zinc/71/14/37/916711437.db2.gz VFRCXIYXNFIMMX-JTQLQIEISA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)CC1 ZINC001323294438 916711448 /nfs/dbraw/zinc/71/14/48/916711448.db2.gz VFRCXIYXNFIMMX-JTQLQIEISA-N 1 1 309.370 -1.532 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)CN1CC[NH+](C)CC1 ZINC001323334221 916713554 /nfs/dbraw/zinc/71/35/54/916713554.db2.gz VJEQWMQKVHUPJA-IGQOVBAYSA-N 1 1 324.425 -1.253 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2nnnn2C2CC2)C1 ZINC001323336951 916714943 /nfs/dbraw/zinc/71/49/43/916714943.db2.gz QHXHYJDNBZLKAE-SECBINFHSA-N 1 1 307.358 -1.165 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCOC1 ZINC001323387240 916716572 /nfs/dbraw/zinc/71/65/72/916716572.db2.gz HQAZNBCWZFFBIL-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001323370948 916717194 /nfs/dbraw/zinc/71/71/94/916717194.db2.gz IJQBOAFWZUVOBH-MNOVXSKESA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001323370948 916717204 /nfs/dbraw/zinc/71/72/04/916717204.db2.gz IJQBOAFWZUVOBH-MNOVXSKESA-N 1 1 313.354 -1.761 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001323384602 916717318 /nfs/dbraw/zinc/71/73/18/916717318.db2.gz ZXFUJSDHWGLHRJ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCOC1 ZINC001323387242 916718061 /nfs/dbraw/zinc/71/80/61/916718061.db2.gz HQAZNBCWZFFBIL-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001323423383 916719956 /nfs/dbraw/zinc/71/99/56/916719956.db2.gz RBQPEJNJUGZBDC-SECBINFHSA-N 1 1 320.353 -1.219 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001323424419 916720419 /nfs/dbraw/zinc/72/04/19/916720419.db2.gz IJKXBFKONFVFGQ-ZJUUUORDSA-N 1 1 305.400 -1.254 20 0 DAADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323422399 916721179 /nfs/dbraw/zinc/72/11/79/916721179.db2.gz XEPSDERPQVNVQR-QWHCGFSZSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001323424417 916721540 /nfs/dbraw/zinc/72/15/40/916721540.db2.gz IJKXBFKONFVFGQ-UWVGGRQHSA-N 1 1 305.400 -1.254 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC001323390708 916721663 /nfs/dbraw/zinc/72/16/63/916721663.db2.gz IWAMIIIIVGGYRJ-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323418701 916722045 /nfs/dbraw/zinc/72/20/45/916722045.db2.gz CFYGNUXPXLQJJH-GFCCVEGCSA-N 1 1 308.386 -1.270 20 0 DAADMO CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001323422398 916722099 /nfs/dbraw/zinc/72/20/99/916722099.db2.gz XEPSDERPQVNVQR-OLZOCXBDSA-N 1 1 312.414 -1.422 20 0 DAADMO CN(Cc1cc[nH]n1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323418702 916722464 /nfs/dbraw/zinc/72/24/64/916722464.db2.gz CFYGNUXPXLQJJH-LBPRGKRZSA-N 1 1 308.386 -1.270 20 0 DAADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001323500643 916727080 /nfs/dbraw/zinc/72/70/80/916727080.db2.gz KBHVKDKTBAXXRF-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001323500643 916727087 /nfs/dbraw/zinc/72/70/87/916727087.db2.gz KBHVKDKTBAXXRF-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001323570607 916732023 /nfs/dbraw/zinc/73/20/23/916732023.db2.gz OHNSLCNXXCSOID-WWVJYOTQSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001323570607 916732037 /nfs/dbraw/zinc/73/20/37/916732037.db2.gz OHNSLCNXXCSOID-WWVJYOTQSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ncnn1C ZINC001323564876 916733099 /nfs/dbraw/zinc/73/30/99/916733099.db2.gz AIJVIMXCERBIGK-GARJFASQSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ncnn1C ZINC001323564876 916733105 /nfs/dbraw/zinc/73/31/05/916733105.db2.gz AIJVIMXCERBIGK-GARJFASQSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC001323564879 916733588 /nfs/dbraw/zinc/73/35/88/916733588.db2.gz AIJVIMXCERBIGK-VWYCJHECSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC001323564879 916733593 /nfs/dbraw/zinc/73/35/93/916733593.db2.gz AIJVIMXCERBIGK-VWYCJHECSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001323570608 916733841 /nfs/dbraw/zinc/73/38/41/916733841.db2.gz OHNSLCNXXCSOID-ZMDVIYJKSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001323570608 916733859 /nfs/dbraw/zinc/73/38/59/916733859.db2.gz OHNSLCNXXCSOID-ZMDVIYJKSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001323570598 916734274 /nfs/dbraw/zinc/73/42/74/916734274.db2.gz OHNSLCNXXCSOID-KHPHAOCHSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001323570598 916734282 /nfs/dbraw/zinc/73/42/82/916734282.db2.gz OHNSLCNXXCSOID-KHPHAOCHSA-N 1 1 319.427 -1.295 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001323596426 916735736 /nfs/dbraw/zinc/73/57/36/916735736.db2.gz CYUNKGGQHTUZRE-YUSALJHKSA-N 1 1 308.382 -1.068 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001323609851 916736110 /nfs/dbraw/zinc/73/61/10/916736110.db2.gz SOZNEQFZOWDTGI-VIFPVBQESA-N 1 1 318.399 -1.995 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NCC[NH+]1CC=CC1 ZINC001323753854 916748184 /nfs/dbraw/zinc/74/81/84/916748184.db2.gz GDLUGMWZESZEFK-UHFFFAOYSA-N 1 1 311.429 -1.283 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859693 916753040 /nfs/dbraw/zinc/75/30/40/916753040.db2.gz KVSNWOVOJMLREX-SDBXPKJASA-N 1 1 311.342 -2.021 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323859690 916754413 /nfs/dbraw/zinc/75/44/13/916754413.db2.gz KVSNWOVOJMLREX-OQPBUACISA-N 1 1 311.342 -2.021 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCNS(C)(=O)=O)C1CC1 ZINC001323969723 916760341 /nfs/dbraw/zinc/76/03/41/916760341.db2.gz ZGASHLMUEOEFBB-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001324030114 916763228 /nfs/dbraw/zinc/76/32/28/916763228.db2.gz VVURMMPBDOVJLB-GXSJLCMTSA-N 1 1 313.354 -1.811 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ncnn2C)C1 ZINC001324077091 916765230 /nfs/dbraw/zinc/76/52/30/916765230.db2.gz DSDJXHSECYNSOJ-WDEREUQCSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC001324259684 916770976 /nfs/dbraw/zinc/77/09/76/916770976.db2.gz AVPCCZZAOXEBMC-JFGNBEQYSA-N 1 1 323.397 -1.146 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001324280088 916771464 /nfs/dbraw/zinc/77/14/64/916771464.db2.gz KSQGPVASFFBJLU-GHMZBOCLSA-N 1 1 323.353 -1.543 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001324280090 916772127 /nfs/dbraw/zinc/77/21/27/916772127.db2.gz KSQGPVASFFBJLU-QWRGUYRKSA-N 1 1 323.353 -1.543 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC001324232084 916772460 /nfs/dbraw/zinc/77/24/60/916772460.db2.gz BXEBCXQOQAFECK-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ncn(C)n2)C1 ZINC001324442565 916780887 /nfs/dbraw/zinc/78/08/87/916780887.db2.gz MDGFYDSBWSUYKG-MNOVXSKESA-N 1 1 324.385 -1.171 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)n1C ZINC001324477644 916784434 /nfs/dbraw/zinc/78/44/34/916784434.db2.gz LQVSPBIMJSYVAS-URLYPYJESA-N 1 1 307.354 -1.137 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC(=O)N2CCOCC2)C1 ZINC001324522970 916785334 /nfs/dbraw/zinc/78/53/34/916785334.db2.gz URCAOCRKKXYHAI-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001324658646 916795986 /nfs/dbraw/zinc/79/59/86/916795986.db2.gz WFZALDAHCGOEOY-OAHLLOKOSA-N 1 1 324.381 -1.244 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001324658646 916795994 /nfs/dbraw/zinc/79/59/94/916795994.db2.gz WFZALDAHCGOEOY-OAHLLOKOSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1nnn(C)n1 ZINC001324841999 916798834 /nfs/dbraw/zinc/79/88/34/916798834.db2.gz MFNSDDVRRRXRLY-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)[C@@H]2C1 ZINC001324969696 916803086 /nfs/dbraw/zinc/80/30/86/916803086.db2.gz UJKVNLUILIHQIN-MWLCHTKSSA-N 1 1 320.353 -1.531 20 0 DAADMO Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)cn2cc[nH+]c12 ZINC001324965688 916803258 /nfs/dbraw/zinc/80/32/58/916803258.db2.gz SEBLBJBRJYNJGL-UHFFFAOYSA-N 1 1 319.321 -1.194 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)[C@H]2C1 ZINC001324969693 916803405 /nfs/dbraw/zinc/80/34/05/916803405.db2.gz UJKVNLUILIHQIN-KOLCDFICSA-N 1 1 320.353 -1.531 20 0 DAADMO O=C(NCC1([NH2+]CCOCCO)CCOCC1)c1cnn[nH]1 ZINC001325005716 916804921 /nfs/dbraw/zinc/80/49/21/916804921.db2.gz QAAUQLCJBAUNDU-UHFFFAOYSA-N 1 1 313.358 -1.318 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CCOCC2CC2)C1 ZINC001325068243 916808661 /nfs/dbraw/zinc/80/86/61/916808661.db2.gz NAOQDTMCRNWWHK-CQSZACIVSA-N 1 1 324.385 -1.347 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CCOCC2CC2)C1 ZINC001325068241 916809395 /nfs/dbraw/zinc/80/93/95/916809395.db2.gz NAOQDTMCRNWWHK-AWEZNQCLSA-N 1 1 324.385 -1.347 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001325040917 916809612 /nfs/dbraw/zinc/80/96/12/916809612.db2.gz BLNLALXQGASGPU-VHSXEESVSA-N 1 1 323.340 -1.058 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066706 916809670 /nfs/dbraw/zinc/80/96/70/916809670.db2.gz HMARBEUATKACDU-YGRLFVJLSA-N 1 1 321.337 -1.619 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066706 916809691 /nfs/dbraw/zinc/80/96/91/916809691.db2.gz HMARBEUATKACDU-YGRLFVJLSA-N 1 1 321.337 -1.619 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066702 916809983 /nfs/dbraw/zinc/80/99/83/916809983.db2.gz HMARBEUATKACDU-IINYFYTJSA-N 1 1 321.337 -1.619 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066702 916810006 /nfs/dbraw/zinc/81/00/06/916810006.db2.gz HMARBEUATKACDU-IINYFYTJSA-N 1 1 321.337 -1.619 20 0 DAADMO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001325087103 916811569 /nfs/dbraw/zinc/81/15/69/916811569.db2.gz SGNZHBPPLYQXSO-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001325125768 916817053 /nfs/dbraw/zinc/81/70/53/916817053.db2.gz IRLBVYCOMHVKOS-RNCFNFMXSA-N 1 1 300.359 -1.931 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)[C@@H]1CNC(=O)N1 ZINC001325122757 916817546 /nfs/dbraw/zinc/81/75/46/916817546.db2.gz IPQOBNHKWHQTIY-GWCFXTLKSA-N 1 1 316.358 -2.770 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)[C@H]1CNC(=O)N1 ZINC001325122759 916817650 /nfs/dbraw/zinc/81/76/50/916817650.db2.gz IPQOBNHKWHQTIY-MFKMUULPSA-N 1 1 316.358 -2.770 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125298 916817689 /nfs/dbraw/zinc/81/76/89/916817689.db2.gz CLIWPRJHUULNNR-FZMZJTMJSA-N 1 1 313.398 -1.034 20 0 DAADMO CN(C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CC(O)C1 ZINC001325114540 916817881 /nfs/dbraw/zinc/81/78/81/916817881.db2.gz LNYSAYRTHAIETN-UHFFFAOYSA-N 1 1 313.398 -1.117 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001325116121 916817931 /nfs/dbraw/zinc/81/79/31/916817931.db2.gz ZOLRUIMSRXKMEI-ABAIWWIYSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001325116121 916817943 /nfs/dbraw/zinc/81/79/43/916817943.db2.gz ZOLRUIMSRXKMEI-ABAIWWIYSA-N 1 1 324.381 -2.092 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@](O)(CNC(=O)C(N)=O)C2)ccn1 ZINC001325125361 916818243 /nfs/dbraw/zinc/81/82/43/916818243.db2.gz DOGMYXKCYSWFAQ-HNNXBMFYSA-N 1 1 321.381 -1.314 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CCCN2C(=O)CNC2=O)C1 ZINC001325308019 916841531 /nfs/dbraw/zinc/84/15/31/916841531.db2.gz LIXXEODQYAJXGL-UHFFFAOYSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1cc(/C=C/C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001325495678 916849088 /nfs/dbraw/zinc/84/90/88/916849088.db2.gz YODDQRVHXNLOCS-RGDDUWESSA-N 1 1 322.365 -1.720 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001325766472 916863135 /nfs/dbraw/zinc/86/31/35/916863135.db2.gz NRTFYRQWUHLGMZ-TUAOUCFPSA-N 1 1 320.393 -1.209 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001325841529 916865913 /nfs/dbraw/zinc/86/59/13/916865913.db2.gz JDRJPVOTMZZTEB-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC001325841529 916865931 /nfs/dbraw/zinc/86/59/31/916865931.db2.gz JDRJPVOTMZZTEB-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCOCCO)C1)c1ccn[nH]1 ZINC001325817201 916866796 /nfs/dbraw/zinc/86/67/96/916866796.db2.gz BQLPLFHYCXUXQK-CQSZACIVSA-N 1 1 312.370 -1.025 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001325824968 916867737 /nfs/dbraw/zinc/86/77/37/916867737.db2.gz WDRPDZONYNJNMG-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCCNC1=O ZINC001325849278 916870545 /nfs/dbraw/zinc/87/05/45/916870545.db2.gz CRBHRWWGAIFXDI-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001325928000 916873365 /nfs/dbraw/zinc/87/33/65/916873365.db2.gz CXJCDHLBFVCMGE-UHFFFAOYSA-N 1 1 311.390 -1.623 20 0 DAADMO CN(CCCNC(=O)c1cn(CC(N)=O)nn1)CC[NH+](C)C ZINC001325928000 916873377 /nfs/dbraw/zinc/87/33/77/916873377.db2.gz CXJCDHLBFVCMGE-UHFFFAOYSA-N 1 1 311.390 -1.623 20 0 DAADMO O=C(c1ccn[nH]1)N(CCO)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001325984200 916875860 /nfs/dbraw/zinc/87/58/60/916875860.db2.gz OSTFGFCNVBHODW-SECBINFHSA-N 1 1 309.326 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N(CCO)CC[NH2+]Cc1ncnn1C ZINC001325979286 916876632 /nfs/dbraw/zinc/87/66/32/916876632.db2.gz DNUWQLNGHXLIPT-UHFFFAOYSA-N 1 1 312.374 -1.796 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)c1cc[n+]([O-])cc1 ZINC001325969829 916877102 /nfs/dbraw/zinc/87/71/02/916877102.db2.gz WUNVRENJRNAIGQ-UHFFFAOYSA-N 1 1 321.341 -1.932 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)c1cnns1 ZINC001325984522 916877996 /nfs/dbraw/zinc/87/79/96/916877996.db2.gz SRXFPHBSRDKROM-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1nnc(C)n1C ZINC001325998292 916879472 /nfs/dbraw/zinc/87/94/72/916879472.db2.gz BMTZLRXWFUWCCN-UHFFFAOYSA-N 1 1 312.374 -1.566 20 0 DAADMO Cc1ncc(C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)[nH]1 ZINC001325988663 916881262 /nfs/dbraw/zinc/88/12/62/916881262.db2.gz IWDQEFKMIHSCID-UHFFFAOYSA-N 1 1 324.385 -1.233 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCc1ncn(C)n1)C[NH+]1CCOCC1 ZINC001326002303 916881423 /nfs/dbraw/zinc/88/14/23/916881423.db2.gz CPCUMCAQEQCQFR-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)CN ZINC001326004062 916884150 /nfs/dbraw/zinc/88/41/50/916884150.db2.gz ARTFMYDEUNLCEG-NSHDSACASA-N 1 1 313.402 -1.880 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)CN ZINC001326004062 916884164 /nfs/dbraw/zinc/88/41/64/916884164.db2.gz ARTFMYDEUNLCEG-NSHDSACASA-N 1 1 313.402 -1.880 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1cn(C)nn1 ZINC001326034648 916886839 /nfs/dbraw/zinc/88/68/39/916886839.db2.gz YJUNYOALXWHLHU-UHFFFAOYSA-N 1 1 313.362 -2.345 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001326042597 916887511 /nfs/dbraw/zinc/88/75/11/916887511.db2.gz WVHRUFQUMKOQPQ-LLVKDONJSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCNC1=O ZINC001326042515 916887931 /nfs/dbraw/zinc/88/79/31/916887931.db2.gz TZJRCBDVJDNXCL-LLVKDONJSA-N 1 1 324.385 -1.748 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCCNC1=O ZINC001326042598 916888151 /nfs/dbraw/zinc/88/81/51/916888151.db2.gz WVHRUFQUMKOQPQ-NSHDSACASA-N 1 1 324.385 -1.748 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1coc(C)n1 ZINC001326034576 916888510 /nfs/dbraw/zinc/88/85/10/916888510.db2.gz VISVCWMBQSSQQD-UHFFFAOYSA-N 1 1 313.358 -1.177 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCNC1=O ZINC001326090319 916896560 /nfs/dbraw/zinc/89/65/60/916896560.db2.gz AXXYXTYVOZPGCZ-OAHLLOKOSA-N 1 1 323.397 -1.143 20 0 DAADMO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1nnnn1C1CC1 ZINC001326119137 916898255 /nfs/dbraw/zinc/89/82/55/916898255.db2.gz JUFSLPZYBPSCNM-UHFFFAOYSA-N 1 1 321.345 -1.650 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)Cc2nnc[nH]2)nn1 ZINC001326122292 916899330 /nfs/dbraw/zinc/89/93/30/916899330.db2.gz QGIUMCPDPZVOMT-UHFFFAOYSA-N 1 1 308.346 -1.914 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001326107654 916899665 /nfs/dbraw/zinc/89/96/65/916899665.db2.gz PLWCMLLNARBPMX-OLZOCXBDSA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001326107654 916899670 /nfs/dbraw/zinc/89/96/70/916899670.db2.gz PLWCMLLNARBPMX-OLZOCXBDSA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC001326238587 916908397 /nfs/dbraw/zinc/90/83/97/916908397.db2.gz MIQVPVKMDTYQDL-MXWKQRLJSA-N 1 1 324.381 -1.151 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC001326238589 916908836 /nfs/dbraw/zinc/90/88/36/916908836.db2.gz MIQVPVKMDTYQDL-VWYCJHECSA-N 1 1 324.381 -1.151 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC001326238588 916908962 /nfs/dbraw/zinc/90/89/62/916908962.db2.gz MIQVPVKMDTYQDL-OUAUKWLOSA-N 1 1 324.381 -1.151 20 0 DAADMO COCCNc1nc(N2CC(CO)C2)nc(N2CC(CO)C2)[nH+]1 ZINC001326336320 916913481 /nfs/dbraw/zinc/91/34/81/916913481.db2.gz RJBYNUHBOPFKMU-UHFFFAOYSA-N 1 1 324.385 -1.791 20 0 DAADMO COCCOCC[NH+]1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001326401276 916916703 /nfs/dbraw/zinc/91/67/03/916916703.db2.gz OSUGKQARTWQLDM-UHFFFAOYSA-N 1 1 314.386 -1.181 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)n1C ZINC001326522194 916926149 /nfs/dbraw/zinc/92/61/49/916926149.db2.gz LYQSKAWJHRNWOG-SECBINFHSA-N 1 1 322.369 -1.551 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001326571679 916930393 /nfs/dbraw/zinc/93/03/93/916930393.db2.gz DGVFWGMBMBAIAW-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001326554546 916931642 /nfs/dbraw/zinc/93/16/42/916931642.db2.gz CEFVSEQWZLQBGX-AXFHLTTASA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001326554546 916931653 /nfs/dbraw/zinc/93/16/53/916931653.db2.gz CEFVSEQWZLQBGX-AXFHLTTASA-N 1 1 301.343 -1.365 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCS(=O)(=O)NC)C1CC1 ZINC001326552208 916931750 /nfs/dbraw/zinc/93/17/50/916931750.db2.gz OCQBHUUJEIDLGA-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001326633149 916939223 /nfs/dbraw/zinc/93/92/23/916939223.db2.gz UZWYPAJLMPIAOT-KGYLQXTDSA-N 1 1 311.382 -1.053 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326729299 916952370 /nfs/dbraw/zinc/95/23/70/916952370.db2.gz AOIYNKXFDCQAEA-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)C[NH+]1CCOCC1 ZINC001326801691 916958481 /nfs/dbraw/zinc/95/84/81/916958481.db2.gz PIYFCHLLEDTQTI-WUHRBBMRSA-N 1 1 311.382 -1.168 20 0 DAADMO CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001326824228 916961845 /nfs/dbraw/zinc/96/18/45/916961845.db2.gz RJXNQBIFRPLTKG-YWPYICTPSA-N 1 1 311.382 -1.363 20 0 DAADMO CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCNC1=O ZINC001326823012 916962046 /nfs/dbraw/zinc/96/20/46/916962046.db2.gz NEOGMBMUNFNKBD-AXFHLTTASA-N 1 1 310.354 -2.389 20 0 DAADMO Cn1ccnc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326866775 916963996 /nfs/dbraw/zinc/96/39/96/916963996.db2.gz CITLFXLROZJCMU-WDEREUQCSA-N 1 1 307.354 -1.686 20 0 DAADMO O=C(N[C@H]1CCCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326873413 916965217 /nfs/dbraw/zinc/96/52/17/916965217.db2.gz ULFPTGWPGIWJMV-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO CN(Cc1nccn1C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326861899 916965353 /nfs/dbraw/zinc/96/53/53/916965353.db2.gz OGNCBPQUBOWAGZ-NWDGAFQWSA-N 1 1 321.381 -1.344 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCOC1 ZINC001326909449 916966830 /nfs/dbraw/zinc/96/68/30/916966830.db2.gz QHHYFCFYHSXPJP-ZDEQEGDKSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC001327050545 916987146 /nfs/dbraw/zinc/98/71/46/916987146.db2.gz YOAWLNNYLBUQGO-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327178090 916991868 /nfs/dbraw/zinc/99/18/68/916991868.db2.gz VAUQADLZZLYWJY-SDDRHHMPSA-N 1 1 324.381 -2.142 20 0 DAADMO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327175176 916992328 /nfs/dbraw/zinc/99/23/28/916992328.db2.gz CMHYHSIYCUATLE-MELADBBJSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(C[C@@H]1CCOC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327176959 916992449 /nfs/dbraw/zinc/99/24/49/916992449.db2.gz MTXRRQRXGBVWDL-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001327178089 916992966 /nfs/dbraw/zinc/99/29/66/916992966.db2.gz VAUQADLZZLYWJY-GRYCIOLGSA-N 1 1 324.381 -2.142 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)Cn1ncnn1 ZINC001327212076 916994529 /nfs/dbraw/zinc/99/45/29/916994529.db2.gz AYBGVWMZBWZSOP-JTQLQIEISA-N 1 1 323.357 -1.741 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001327231074 916995658 /nfs/dbraw/zinc/99/56/58/916995658.db2.gz KFYLCDLVEOJAIH-ZDUSSCGKSA-N 1 1 322.413 -1.260 20 0 DAADMO CN(Cc1c[nH]cn1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327422918 917012533 /nfs/dbraw/zinc/01/25/33/917012533.db2.gz ASMZUZBYUFBOJH-NWDGAFQWSA-N 1 1 307.354 -1.355 20 0 DAADMO CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001327422918 917012542 /nfs/dbraw/zinc/01/25/42/917012542.db2.gz ASMZUZBYUFBOJH-NWDGAFQWSA-N 1 1 307.354 -1.355 20 0 DAADMO CN(Cc1cnc[nH]1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327422918 917012571 /nfs/dbraw/zinc/01/25/71/917012571.db2.gz ASMZUZBYUFBOJH-NWDGAFQWSA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001327520662 917022403 /nfs/dbraw/zinc/02/24/03/917022403.db2.gz DYTMDHMWKVUGQX-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CCC(CO)(CO)C1 ZINC001327547847 917025237 /nfs/dbraw/zinc/02/52/37/917025237.db2.gz AFKUJRZQQQBWJJ-UHFFFAOYSA-N 1 1 310.416 -1.381 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CCC(CO)(CO)C1 ZINC001327547847 917025250 /nfs/dbraw/zinc/02/52/50/917025250.db2.gz AFKUJRZQQQBWJJ-UHFFFAOYSA-N 1 1 310.416 -1.381 20 0 DAADMO CCCn1ncnc1C[NH2+]CC1(NC(=O)C(N)=O)CCOCC1 ZINC001327656864 917034640 /nfs/dbraw/zinc/03/46/40/917034640.db2.gz RSNBJHMHEKEUJU-UHFFFAOYSA-N 1 1 324.385 -1.072 20 0 DAADMO CN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCC([NH3+])CC1 ZINC001327708233 917038070 /nfs/dbraw/zinc/03/80/70/917038070.db2.gz VNKLTULMUYBCCD-CLRIEMFWSA-N 1 1 324.425 -1.008 20 0 DAADMO CN1CC[NH+](CCCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC001327719040 917040006 /nfs/dbraw/zinc/04/00/06/917040006.db2.gz ARGVFWASMIRAHO-MGPQQGTHSA-N 1 1 313.398 -1.847 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC001327828065 917045129 /nfs/dbraw/zinc/04/51/29/917045129.db2.gz UFUHYXWZMRZADH-GHMZBOCLSA-N 1 1 322.369 -1.189 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCNC(=O)c2ccn[nH]2)CC1 ZINC001327991817 917057282 /nfs/dbraw/zinc/05/72/82/917057282.db2.gz KSXJHAUAWBQPOI-GFCCVEGCSA-N 1 1 310.402 -1.663 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[N@@H+](C)C1CC1 ZINC001328082185 917062637 /nfs/dbraw/zinc/06/26/37/917062637.db2.gz VSSIOXXDVXGFGO-MWLCHTKSSA-N 1 1 324.381 -1.151 20 0 DAADMO NC(=O)CC(=O)N1CCC(O)(C[NH2+]Cc2nncs2)CC1 ZINC001328155250 917066005 /nfs/dbraw/zinc/06/60/05/917066005.db2.gz GKTJCFCVSWGSBQ-UHFFFAOYSA-N 1 1 313.383 -1.143 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[C@H]1NC(=O)NC1=O ZINC001328342317 917078569 /nfs/dbraw/zinc/07/85/69/917078569.db2.gz JPZLXVHLNQAGAX-GMTAPVOTSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](C)C[N@H+]1CCO ZINC001328342319 917078998 /nfs/dbraw/zinc/07/89/98/917078998.db2.gz JPZLXVHLNQAGAX-OUAUKWLOSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](C)C1 ZINC001328359168 917083051 /nfs/dbraw/zinc/08/30/51/917083051.db2.gz VHNHTIIORBYZQV-DCAQKATOSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H](C)[N@@H+]1CCO ZINC001328407389 917085205 /nfs/dbraw/zinc/08/52/05/917085205.db2.gz OMTAILMLVJYHAH-AXFHLTTASA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H](CCNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnn(C)n1 ZINC001328451085 917087814 /nfs/dbraw/zinc/08/78/14/917087814.db2.gz FGZLCMAFXZHWBN-VIFPVBQESA-N 1 1 323.357 -1.657 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001328520911 917092060 /nfs/dbraw/zinc/09/20/60/917092060.db2.gz ZAXLRYZUVATTDC-JTQLQIEISA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCN(C(=O)C[C@@H]1CC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC001328529957 917092515 /nfs/dbraw/zinc/09/25/15/917092515.db2.gz JANPWFRLDRIPKP-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO C[NH2+][C@@H](C(=O)NCCCN1C(=O)CNC1=O)c1cnn(C)c1 ZINC001328504969 917092709 /nfs/dbraw/zinc/09/27/09/917092709.db2.gz WKVVMYYEIHJMLD-LLVKDONJSA-N 1 1 308.342 -1.261 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001328518685 917093153 /nfs/dbraw/zinc/09/31/53/917093153.db2.gz CVSNYNZZALWOLY-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[NH+](C)CCN(C(=O)C[C@H]1CC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC001328529955 917094175 /nfs/dbraw/zinc/09/41/75/917094175.db2.gz JANPWFRLDRIPKP-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO [NH3+]CCOCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001328580850 917095741 /nfs/dbraw/zinc/09/57/41/917095741.db2.gz BNLHZCVHGWNOIX-ZDUSSCGKSA-N 1 1 300.403 -1.516 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC001328584206 917095906 /nfs/dbraw/zinc/09/59/06/917095906.db2.gz PLTBYQCXGGVIHO-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1 ZINC001328660447 917101897 /nfs/dbraw/zinc/10/18/97/917101897.db2.gz BTCKRBGKDWBEPK-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001328702790 917103646 /nfs/dbraw/zinc/10/36/46/917103646.db2.gz KFNTVKKYHWUUJO-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO CCNC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(N)=O ZINC001328693681 917104691 /nfs/dbraw/zinc/10/46/91/917104691.db2.gz LPLHAYFNANQPHE-DGCLKSJQSA-N 1 1 304.350 -1.020 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)C[C@@H]21 ZINC001328786180 917108378 /nfs/dbraw/zinc/10/83/78/917108378.db2.gz JXGLUXZPQACTOW-GEOBJJEBSA-N 1 1 311.407 -1.119 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)C[C@@H]21 ZINC001328786180 917108388 /nfs/dbraw/zinc/10/83/88/917108388.db2.gz JXGLUXZPQACTOW-GEOBJJEBSA-N 1 1 311.407 -1.119 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001328764611 917109479 /nfs/dbraw/zinc/10/94/79/917109479.db2.gz MECZZJRLSSACRX-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001328764604 917109870 /nfs/dbraw/zinc/10/98/70/917109870.db2.gz MECZZJRLSSACRX-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO COC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001328816512 917111712 /nfs/dbraw/zinc/11/17/12/917111712.db2.gz NTNMLQVEAWQLME-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001328815564 917112747 /nfs/dbraw/zinc/11/27/47/917112747.db2.gz HCIHVLAWEUHPPM-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001328885741 917119611 /nfs/dbraw/zinc/11/96/11/917119611.db2.gz WLVGXBXLUMKVTK-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001328971007 917124648 /nfs/dbraw/zinc/12/46/48/917124648.db2.gz DDTYIPYLKVTGFO-LBPRGKRZSA-N 1 1 315.418 -2.170 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999780 917129559 /nfs/dbraw/zinc/12/95/59/917129559.db2.gz OHEJMDGIJXLXOZ-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999780 917129571 /nfs/dbraw/zinc/12/95/71/917129571.db2.gz OHEJMDGIJXLXOZ-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001328999780 917129582 /nfs/dbraw/zinc/12/95/82/917129582.db2.gz OHEJMDGIJXLXOZ-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001329030328 917133580 /nfs/dbraw/zinc/13/35/80/917133580.db2.gz PLYCLRPFKFNHMK-JQWIXIFHSA-N 1 1 324.385 -1.251 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001329030328 917133590 /nfs/dbraw/zinc/13/35/90/917133590.db2.gz PLYCLRPFKFNHMK-JQWIXIFHSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001329063685 917136122 /nfs/dbraw/zinc/13/61/22/917136122.db2.gz XJEKOELGVJUYNB-NWDGAFQWSA-N 1 1 322.365 -1.406 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC001329097577 917142782 /nfs/dbraw/zinc/14/27/82/917142782.db2.gz BJJVZWOHISZOHE-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CO[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329121059 917144033 /nfs/dbraw/zinc/14/40/33/917144033.db2.gz PBACOSRDOHGMQH-YNEHKIRRSA-N 1 1 311.382 -1.099 20 0 DAADMO COc1nccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001329138420 917144832 /nfs/dbraw/zinc/14/48/32/917144832.db2.gz KTVTVTOVKYFFIE-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO Cn1cc(/C=C\C(=O)NCC[N@H+]2CC[C@H](O)C2)c(=O)n(C)c1=O ZINC001329164336 917147318 /nfs/dbraw/zinc/14/73/18/917147318.db2.gz AESKVVQDSOEMKW-MVZIDQBPSA-N 1 1 322.365 -1.720 20 0 DAADMO CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329204564 917149965 /nfs/dbraw/zinc/14/99/65/917149965.db2.gz MTESDVBUORCLRS-YVECIDJPSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ncnn1C ZINC001329202881 917150262 /nfs/dbraw/zinc/15/02/62/917150262.db2.gz CHCIBDINHNWRTB-GARJFASQSA-N 1 1 322.369 -1.730 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)CCCN1C(=O)CNC1=O ZINC001329409182 917164205 /nfs/dbraw/zinc/16/42/05/917164205.db2.gz KTVDEHRBHHMKNF-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329431075 917167295 /nfs/dbraw/zinc/16/72/95/917167295.db2.gz IBIPGLVCNKOZMK-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC001329464698 917170675 /nfs/dbraw/zinc/17/06/75/917170675.db2.gz HUROQDQFZVIXAT-SFYZADRCSA-N 1 1 323.296 -1.515 20 0 DAADMO C[C@H](CNC(=O)CCN1C(=O)CCC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001329486561 917171902 /nfs/dbraw/zinc/17/19/02/917171902.db2.gz NZWDCBXHPYALGU-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCNC1=O)[N@@H+](C)CCOCCO ZINC001329473302 917172713 /nfs/dbraw/zinc/17/27/13/917172713.db2.gz XXJQZTDECLWILS-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)CC(=O)NC(N)=O ZINC001329473639 917173208 /nfs/dbraw/zinc/17/32/08/917173208.db2.gz BDONLPPYPSDSND-LURJTMIESA-N 1 1 323.300 -2.001 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)CC(=O)NC(N)=O ZINC001329473639 917173220 /nfs/dbraw/zinc/17/32/20/917173220.db2.gz BDONLPPYPSDSND-LURJTMIESA-N 1 1 323.300 -2.001 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)[C@@H]1CCNC1=O ZINC001329475872 917173749 /nfs/dbraw/zinc/17/37/49/917173749.db2.gz WVHZQMFTWLPHES-HTQZYQBOSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)[C@@H]1CCNC1=O ZINC001329475872 917173757 /nfs/dbraw/zinc/17/37/57/917173757.db2.gz WVHZQMFTWLPHES-HTQZYQBOSA-N 1 1 306.313 -1.307 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)[N@@H+](C)CCOCCO ZINC001329517984 917176332 /nfs/dbraw/zinc/17/63/32/917176332.db2.gz VJDKJNSYHMFKML-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC1CC1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329588224 917182205 /nfs/dbraw/zinc/18/22/05/917182205.db2.gz MJMAXTFOBWTAOV-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC1CC1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329588224 917182212 /nfs/dbraw/zinc/18/22/12/917182212.db2.gz MJMAXTFOBWTAOV-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC1CC1)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329588226 917182531 /nfs/dbraw/zinc/18/25/31/917182531.db2.gz MJMAXTFOBWTAOV-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC1CC1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329588226 917182539 /nfs/dbraw/zinc/18/25/39/917182539.db2.gz MJMAXTFOBWTAOV-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001329612067 917184520 /nfs/dbraw/zinc/18/45/20/917184520.db2.gz ABXCSGGAXVJMHZ-VHSXEESVSA-N 1 1 312.370 -1.164 20 0 DAADMO CN(CCS(N)(=O)=O)C(=S)NCCC[NH+]1CCOCC1 ZINC001329629401 917185157 /nfs/dbraw/zinc/18/51/57/917185157.db2.gz IFZKHJWPICJNCO-UHFFFAOYSA-N 1 1 324.472 -1.197 20 0 DAADMO C[C@H](CNC(=O)CCCN1C(=O)CNC1=O)[N@H+](C)CC(N)=O ZINC001329612449 917185301 /nfs/dbraw/zinc/18/53/01/917185301.db2.gz DJDKZFHRIBIGMO-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](CNC(=O)CCCN1C(=O)CNC1=O)[N@@H+](C)CC(N)=O ZINC001329612449 917185312 /nfs/dbraw/zinc/18/53/12/917185312.db2.gz DJDKZFHRIBIGMO-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN1CC(=O)N(CC(=O)NC2(CCO)C[NH+](CC3CC3)C2)C1=O ZINC001329717162 917194641 /nfs/dbraw/zinc/19/46/41/917194641.db2.gz BOPOBMNLAWAZGF-UHFFFAOYSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329973034 917217416 /nfs/dbraw/zinc/21/74/16/917217416.db2.gz VNGRCORRXUHXBO-GRYCIOLGSA-N 1 1 324.381 -2.012 20 0 DAADMO CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330018057 917219256 /nfs/dbraw/zinc/21/92/56/917219256.db2.gz BYTGOOMBPGVUHA-UWVGGRQHSA-N 1 1 321.399 -1.970 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001330048253 917222614 /nfs/dbraw/zinc/22/26/14/917222614.db2.gz OEVXCHYLEGPPNO-WCBMZHEXSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001330045380 917222728 /nfs/dbraw/zinc/22/27/28/917222728.db2.gz BVBGCMKZLDZOIO-KOLCDFICSA-N 1 1 308.382 -1.033 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)CC(N)=O ZINC001330182396 917232309 /nfs/dbraw/zinc/23/23/09/917232309.db2.gz BYRAAOQLXKZHDG-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nn1 ZINC001330252742 917234045 /nfs/dbraw/zinc/23/40/45/917234045.db2.gz VVHZFUGRZCAEEO-ZYHUDNBSSA-N 1 1 306.370 -1.016 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001330345963 917240138 /nfs/dbraw/zinc/24/01/38/917240138.db2.gz BEKGEUBDXQNRQF-UHFFFAOYSA-N 1 1 313.398 -1.114 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001330330607 917240250 /nfs/dbraw/zinc/24/02/50/917240250.db2.gz XAINGNAOKZSVRK-CNDDSTCGSA-N 1 1 308.382 -1.222 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1=O ZINC001330358875 917243232 /nfs/dbraw/zinc/24/32/32/917243232.db2.gz FBMVWASICPSCQF-RTCCRHLQSA-N 1 1 310.354 -1.833 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[C@@H]1CCNC1=O ZINC001330479956 917251015 /nfs/dbraw/zinc/25/10/15/917251015.db2.gz YMFALUNMDWJBAM-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001330642429 917257885 /nfs/dbraw/zinc/25/78/85/917257885.db2.gz BDGXWTOKYNZMKH-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO CN(Cc1ncc[nH]1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001330611769 917258370 /nfs/dbraw/zinc/25/83/70/917258370.db2.gz PAJKJOXLESNRRO-LLVKDONJSA-N 1 1 308.386 -1.270 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001330682725 917261445 /nfs/dbraw/zinc/26/14/45/917261445.db2.gz RIFROHSVZHPXQX-MGCOHNPYSA-N 1 1 315.399 -1.124 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC(O)(C(=O)OC)C2)C1 ZINC001330823019 917266927 /nfs/dbraw/zinc/26/69/27/917266927.db2.gz JQYXOXBAYVWDPX-SNVBAGLBSA-N 1 1 313.354 -1.667 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1COCCO1)[C@H]1CCNC1=O ZINC001331101956 917275770 /nfs/dbraw/zinc/27/57/70/917275770.db2.gz CJYVZMQKXXASHX-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@H+](CCOCCNC(=O)C(C)(C)F)CC(=O)NC(N)=O ZINC001331088140 917276868 /nfs/dbraw/zinc/27/68/68/917276868.db2.gz NSVKGNSCUHCTRS-UHFFFAOYSA-N 1 1 306.338 -1.006 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C(C)(C)F)CC(=O)NC(N)=O ZINC001331088140 917276878 /nfs/dbraw/zinc/27/68/78/917276878.db2.gz NSVKGNSCUHCTRS-UHFFFAOYSA-N 1 1 306.338 -1.006 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cc[n+]([O-])cc1)[C@@H]1CCNC1=O ZINC001331094513 917277558 /nfs/dbraw/zinc/27/75/58/917277558.db2.gz RHLCQLKSXQOIBZ-CYBMUJFWSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCOCCNC(=O)C(F)F ZINC001331087308 917277931 /nfs/dbraw/zinc/27/79/31/917277931.db2.gz AESRMTXUNUJKTF-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCOCCNC(=O)CC(N)=O)C1=O ZINC001331109359 917278868 /nfs/dbraw/zinc/27/88/68/917278868.db2.gz IIYFLOMJJQMFBU-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001331119782 917279290 /nfs/dbraw/zinc/27/92/90/917279290.db2.gz PVETZCLYLREKTH-FRRDWIJNSA-N 1 1 311.430 -1.266 20 0 DAADMO CC(=O)N1CC(C(=O)NCCOCC[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001331119411 917280310 /nfs/dbraw/zinc/28/03/10/917280310.db2.gz ZYQOSRLGDBAGBQ-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001331117397 917280411 /nfs/dbraw/zinc/28/04/11/917280411.db2.gz GJPRYJSPWCHGQS-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)c1nccnc1N ZINC001331110766 917280552 /nfs/dbraw/zinc/28/05/52/917280552.db2.gz OYMOQEIQLSLDIO-JTQLQIEISA-N 1 1 324.385 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001331102743 917280801 /nfs/dbraw/zinc/28/08/01/917280801.db2.gz NYEAJUPBDXQPIG-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001331102743 917280812 /nfs/dbraw/zinc/28/08/12/917280812.db2.gz NYEAJUPBDXQPIG-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO C[N@H+](CCOCCNC(=O)c1cnc2n1CCC2)CC(N)=O ZINC001331122496 917280831 /nfs/dbraw/zinc/28/08/31/917280831.db2.gz HQQCBVUAWSNUGH-UHFFFAOYSA-N 1 1 309.370 -1.007 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cnc2n1CCC2)CC(N)=O ZINC001331122496 917280837 /nfs/dbraw/zinc/28/08/37/917280837.db2.gz HQQCBVUAWSNUGH-UHFFFAOYSA-N 1 1 309.370 -1.007 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)c1ccn2nnnc2c1 ZINC001331144051 917280943 /nfs/dbraw/zinc/28/09/43/917280943.db2.gz FNTVMZXOZZWWHK-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@]1(C)CCNC(=O)C1)CC(N)=O ZINC001331133107 917281105 /nfs/dbraw/zinc/28/11/05/917281105.db2.gz ONKDZRLCYJUSBO-CQSZACIVSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@]1(C)CCNC(=O)C1)CC(N)=O ZINC001331133107 917281119 /nfs/dbraw/zinc/28/11/19/917281119.db2.gz ONKDZRLCYJUSBO-CQSZACIVSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)C1CCS(=O)(=O)CC1 ZINC001331157671 917283291 /nfs/dbraw/zinc/28/32/91/917283291.db2.gz FLTAAURQIRLMDL-UHFFFAOYSA-N 1 1 322.427 -1.132 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C(N)=O)CCN1CCNC1=O ZINC001331150466 917283363 /nfs/dbraw/zinc/28/33/63/917283363.db2.gz UDCQKRKIPZGNGM-UHFFFAOYSA-N 1 1 301.347 -2.439 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccnn1C ZINC001331238556 917288621 /nfs/dbraw/zinc/28/86/21/917288621.db2.gz MHKVWZLOLXQTFP-NWDGAFQWSA-N 1 1 322.413 -1.041 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001331394129 917290877 /nfs/dbraw/zinc/29/08/77/917290877.db2.gz SZNCASRUUCGRNV-NSHDSACASA-N 1 1 320.415 -2.202 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001331321051 917291343 /nfs/dbraw/zinc/29/13/43/917291343.db2.gz XGIWHICGLHTPGH-SNVBAGLBSA-N 1 1 309.374 -1.105 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001331520158 917297533 /nfs/dbraw/zinc/29/75/33/917297533.db2.gz QSWUUYRBABHFIC-MRVPVSSYSA-N 1 1 318.403 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001331631429 917306165 /nfs/dbraw/zinc/30/61/65/917306165.db2.gz MNASYJIBFVYBLN-SNVBAGLBSA-N 1 1 322.369 -1.099 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001331742429 917328762 /nfs/dbraw/zinc/32/87/62/917328762.db2.gz BGAWOXFREGIWEA-XQQFMLRXSA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001331742429 917328779 /nfs/dbraw/zinc/32/87/79/917328779.db2.gz BGAWOXFREGIWEA-XQQFMLRXSA-N 1 1 310.398 -1.166 20 0 DAADMO Cc1ccc(CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O)cc1 ZINC001331774005 917333243 /nfs/dbraw/zinc/33/32/43/917333243.db2.gz JZUMYXPXQYQOCM-GFCCVEGCSA-N 1 1 322.365 -1.837 20 0 DAADMO CNC(=O)c1cccc(C[NH2+][C@@H](CO)CNC(=O)C(N)=O)c1 ZINC001331773035 917333613 /nfs/dbraw/zinc/33/36/13/917333613.db2.gz CBAKZEDEYLCZMW-LLVKDONJSA-N 1 1 308.338 -1.902 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CCCCC1 ZINC001331776366 917337678 /nfs/dbraw/zinc/33/76/78/917337678.db2.gz XZLBBHZWVUAKFA-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC001331834784 917341224 /nfs/dbraw/zinc/34/12/24/917341224.db2.gz JUZGANFSFZDLRB-LBPRGKRZSA-N 1 1 322.365 -1.254 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC=C[C@@H]1CO ZINC001332109349 917355691 /nfs/dbraw/zinc/35/56/91/917355691.db2.gz MALYBPMPKKRWSM-FRRDWIJNSA-N 1 1 309.366 -1.275 20 0 DAADMO CNS(=O)(=O)CCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001332288082 917360601 /nfs/dbraw/zinc/36/06/01/917360601.db2.gz NKOHSIZJJXBDKF-LBPRGKRZSA-N 1 1 308.448 -1.876 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC001332250694 917361230 /nfs/dbraw/zinc/36/12/30/917361230.db2.gz NOVNHFWFUNQRGD-MCIONIFRSA-N 1 1 323.441 -1.299 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001332250696 917361784 /nfs/dbraw/zinc/36/17/84/917361784.db2.gz NOVNHFWFUNQRGD-MGPQQGTHSA-N 1 1 323.441 -1.299 20 0 DAADMO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001332415522 917368833 /nfs/dbraw/zinc/36/88/33/917368833.db2.gz DDIRYEMKIVEOGW-FRRDWIJNSA-N 1 1 310.398 -1.539 20 0 DAADMO O=C1N[C@H](CO)C(=O)N1CC1([NH+]2CCOCC2)CCOCC1 ZINC001332445840 917372509 /nfs/dbraw/zinc/37/25/09/917372509.db2.gz GOGQOAQZKANPSB-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCOCCO)c1nnnn1CCC[NH+]1CCOCC1 ZINC001332497190 917377519 /nfs/dbraw/zinc/37/75/19/917377519.db2.gz HCIGINRDZUAGAT-UHFFFAOYSA-N 1 1 314.390 -1.160 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)[nH]1 ZINC001332488926 917378903 /nfs/dbraw/zinc/37/89/03/917378903.db2.gz GNVDDBXGMAHVOP-SNVBAGLBSA-N 1 1 318.399 -1.215 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001332490864 917379221 /nfs/dbraw/zinc/37/92/21/917379221.db2.gz OITCVTAKHYYNGS-NXEZZACHSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1ccn[nH]1 ZINC001332491218 917379353 /nfs/dbraw/zinc/37/93/53/917379353.db2.gz RINLASQKEQCFMG-NSHDSACASA-N 1 1 309.370 -1.042 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCCNC(=O)C1 ZINC001332528402 917380808 /nfs/dbraw/zinc/38/08/08/917380808.db2.gz DMUJMTDGLVXLOM-UHFFFAOYSA-N 1 1 312.370 -1.827 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C(C)(C)C)C(=O)C(N)=O ZINC001332561572 917384947 /nfs/dbraw/zinc/38/49/47/917384947.db2.gz QBCGNPYEEHFYEI-MRVPVSSYSA-N 1 1 313.362 -2.178 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@]1(C)CCNC1=O ZINC001332566121 917387542 /nfs/dbraw/zinc/38/75/42/917387542.db2.gz KNRIGXJERBXAND-MFKMUULPSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@]1(C)CCNC1=O ZINC001332567604 917388034 /nfs/dbraw/zinc/38/80/34/917388034.db2.gz VYWIHESLHCTZIR-FZMZJTMJSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2(C(N)=O)CC2)n1 ZINC001332567512 917388165 /nfs/dbraw/zinc/38/81/65/917388165.db2.gz VDUFNJONMDGVOQ-LLVKDONJSA-N 1 1 324.385 -1.528 20 0 DAADMO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001332577578 917388800 /nfs/dbraw/zinc/38/88/00/917388800.db2.gz FPUHQJVKFTWENH-SNVBAGLBSA-N 1 1 311.342 -1.495 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001332619684 917394045 /nfs/dbraw/zinc/39/40/45/917394045.db2.gz PPSPXWIMNWUZPO-UWVGGRQHSA-N 1 1 302.375 -1.910 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648612 917396803 /nfs/dbraw/zinc/39/68/03/917396803.db2.gz QUIKJXUFJFCGBV-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648612 917396815 /nfs/dbraw/zinc/39/68/15/917396815.db2.gz QUIKJXUFJFCGBV-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO[C@@H]1CCOC1)C(=O)C(N)=O ZINC001332664474 917400777 /nfs/dbraw/zinc/40/07/77/917400777.db2.gz UIXARYPMHMGOAG-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332663391 917401461 /nfs/dbraw/zinc/40/14/61/917401461.db2.gz NFJRMRUZYRGING-SNVBAGLBSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N(C)CC1CC1)C(=O)C(N)=O ZINC001332663752 917401848 /nfs/dbraw/zinc/40/18/48/917401848.db2.gz PMDYIQJZOYLFCX-LLVKDONJSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N(C)CC1CC1)C(=O)C(N)=O ZINC001332663752 917401858 /nfs/dbraw/zinc/40/18/58/917401858.db2.gz PMDYIQJZOYLFCX-LLVKDONJSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NCC(C)(C)C)C(=O)C(N)=O ZINC001332662715 917402461 /nfs/dbraw/zinc/40/24/61/917402461.db2.gz HFIRZTINOQCADF-SNVBAGLBSA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NCC(C)(C)C)C(=O)C(N)=O ZINC001332662715 917402471 /nfs/dbraw/zinc/40/24/71/917402471.db2.gz HFIRZTINOQCADF-SNVBAGLBSA-N 1 1 316.402 -1.615 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001332664158 917402543 /nfs/dbraw/zinc/40/25/43/917402543.db2.gz SKWLFZXDDDTFHH-ZJUUUORDSA-N 1 1 314.386 -1.733 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001332664155 917402801 /nfs/dbraw/zinc/40/28/01/917402801.db2.gz SKWLFZXDDDTFHH-NXEZZACHSA-N 1 1 314.386 -1.733 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332661941 917402961 /nfs/dbraw/zinc/40/29/61/917402961.db2.gz AUAXHAMSHPKVAR-QWRGUYRKSA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332661941 917402973 /nfs/dbraw/zinc/40/29/73/917402973.db2.gz AUAXHAMSHPKVAR-QWRGUYRKSA-N 1 1 316.402 -1.472 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001332676378 917404581 /nfs/dbraw/zinc/40/45/81/917404581.db2.gz APCVOCAOVNLIOR-SNVBAGLBSA-N 1 1 316.358 -2.064 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332678212 917406223 /nfs/dbraw/zinc/40/62/23/917406223.db2.gz YQZWAMQFTFERIM-GHMZBOCLSA-N 1 1 315.370 -1.827 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC001332769420 917408355 /nfs/dbraw/zinc/40/83/55/917408355.db2.gz KJFZOEADEMKNSJ-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@@H]1CNC(=O)C1 ZINC001332818714 917410370 /nfs/dbraw/zinc/41/03/70/917410370.db2.gz RJNGGQLNPVTQHS-NSHDSACASA-N 1 1 314.386 -1.677 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1=O ZINC001332890435 917416765 /nfs/dbraw/zinc/41/67/65/917416765.db2.gz XRHXICFUMBEVLZ-NWDGAFQWSA-N 1 1 320.349 -1.399 20 0 DAADMO O=C(NCCn1cncn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001332994338 917420051 /nfs/dbraw/zinc/42/00/51/917420051.db2.gz RTTRVLQVSLVGPE-WDEREUQCSA-N 1 1 308.342 -2.328 20 0 DAADMO O=C(N[C@H]1CC[C@H](O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001333024278 917420411 /nfs/dbraw/zinc/42/04/11/917420411.db2.gz KYERXAGSLMFPIW-ZDEQEGDKSA-N 1 1 311.382 -1.317 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC001332992990 917420596 /nfs/dbraw/zinc/42/05/96/917420596.db2.gz DUZCBDQAYRYXHU-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001332992990 917420609 /nfs/dbraw/zinc/42/06/09/917420609.db2.gz DUZCBDQAYRYXHU-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC001332992982 917420694 /nfs/dbraw/zinc/42/06/94/917420694.db2.gz DUZCBDQAYRYXHU-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCCNC(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001332992982 917420708 /nfs/dbraw/zinc/42/07/08/917420708.db2.gz DUZCBDQAYRYXHU-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001333054713 917420988 /nfs/dbraw/zinc/42/09/88/917420988.db2.gz ZNEWAPTXRUCYSU-TXEJJXNPSA-N 1 1 310.416 -1.525 20 0 DAADMO C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001332963908 917421171 /nfs/dbraw/zinc/42/11/71/917421171.db2.gz NKLIRBDLYXWRTD-ZDEQEGDKSA-N 1 1 311.382 -1.507 20 0 DAADMO C[C@H]1CCOCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001333028625 917421511 /nfs/dbraw/zinc/42/15/11/917421511.db2.gz VBDWYLMMYGNPIQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001333099815 917424975 /nfs/dbraw/zinc/42/49/75/917424975.db2.gz IUBSBGNPZXKWOR-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001333099815 917425002 /nfs/dbraw/zinc/42/50/02/917425002.db2.gz IUBSBGNPZXKWOR-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001333099815 917425011 /nfs/dbraw/zinc/42/50/11/917425011.db2.gz IUBSBGNPZXKWOR-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001333170785 917428043 /nfs/dbraw/zinc/42/80/43/917428043.db2.gz AVNBIUFDVBXKRI-GUBZILKMSA-N 1 1 303.384 -1.502 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001333170785 917428046 /nfs/dbraw/zinc/42/80/46/917428046.db2.gz AVNBIUFDVBXKRI-GUBZILKMSA-N 1 1 303.384 -1.502 20 0 DAADMO Cc1nnc(C[NH2+]CCOCCN(C)C(=O)[C@@H]2CCNC2=O)[nH]1 ZINC001333243846 917431640 /nfs/dbraw/zinc/43/16/40/917431640.db2.gz AWRRBBUTRAFSQS-LLVKDONJSA-N 1 1 324.385 -1.186 20 0 DAADMO CN(CCOCC[NH2+]Cc1nnnn1C1CC1)C(=O)C(N)=O ZINC001333245753 917432011 /nfs/dbraw/zinc/43/20/11/917432011.db2.gz OGZBMDLVTXGNCR-UHFFFAOYSA-N 1 1 311.346 -1.942 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001333225363 917432096 /nfs/dbraw/zinc/43/20/96/917432096.db2.gz UKYDCGNEWAOGKY-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001333225363 917432103 /nfs/dbraw/zinc/43/21/03/917432103.db2.gz UKYDCGNEWAOGKY-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO CN(CC(=O)NCC1=CC[N@@H+](CCO)CC1)S(C)(=O)=O ZINC001333349199 917437219 /nfs/dbraw/zinc/43/72/19/917437219.db2.gz DYFNFOYYSWUIQM-UHFFFAOYSA-N 1 1 305.400 -1.382 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001333390457 917440588 /nfs/dbraw/zinc/44/05/88/917440588.db2.gz KGMBYWPNDUNCBA-UHFFFAOYSA-N 1 1 304.372 -2.231 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC=C(CNC(=O)C(N)=O)CC1 ZINC001333390457 917440593 /nfs/dbraw/zinc/44/05/93/917440593.db2.gz KGMBYWPNDUNCBA-UHFFFAOYSA-N 1 1 304.372 -2.231 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001333403565 917440977 /nfs/dbraw/zinc/44/09/77/917440977.db2.gz YMAWGGYRLNITIX-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001333403565 917440987 /nfs/dbraw/zinc/44/09/87/917440987.db2.gz YMAWGGYRLNITIX-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001333433287 917442400 /nfs/dbraw/zinc/44/24/00/917442400.db2.gz XRAXKUWZFFRXCT-UHFFFAOYSA-N 1 1 310.354 -1.331 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)CCNC(N)=O)CC1 ZINC001333447274 917444122 /nfs/dbraw/zinc/44/41/22/917444122.db2.gz HUPUXTSQGVOZJQ-LBPRGKRZSA-N 1 1 314.386 -1.200 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001333461899 917445265 /nfs/dbraw/zinc/44/52/65/917445265.db2.gz MFSPPVGQHIZJCZ-NSHDSACASA-N 1 1 322.365 -1.467 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001333461899 917445272 /nfs/dbraw/zinc/44/52/72/917445272.db2.gz MFSPPVGQHIZJCZ-NSHDSACASA-N 1 1 322.365 -1.467 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001333461898 917445393 /nfs/dbraw/zinc/44/53/93/917445393.db2.gz MFSPPVGQHIZJCZ-LLVKDONJSA-N 1 1 322.365 -1.467 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001333461898 917445405 /nfs/dbraw/zinc/44/54/05/917445405.db2.gz MFSPPVGQHIZJCZ-LLVKDONJSA-N 1 1 322.365 -1.467 20 0 DAADMO CN1CCN(C(=O)CCCS(N)(=O)=O)CC[N@@H+](C)CC1 ZINC001333555691 917446759 /nfs/dbraw/zinc/44/67/59/917446759.db2.gz NOLPCCXUOFUVEE-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO CCON(CC)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001333632749 917453442 /nfs/dbraw/zinc/45/34/42/917453442.db2.gz CDUGDPNTXFOMIO-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO CCON(CC)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001333632749 917453454 /nfs/dbraw/zinc/45/34/54/917453454.db2.gz CDUGDPNTXFOMIO-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1(C)C ZINC001333793678 917459714 /nfs/dbraw/zinc/45/97/14/917459714.db2.gz MEDBEIMLPWRBDI-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1(C)C ZINC001333793678 917459724 /nfs/dbraw/zinc/45/97/24/917459724.db2.gz MEDBEIMLPWRBDI-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC001333865251 917463690 /nfs/dbraw/zinc/46/36/90/917463690.db2.gz SMBNZHIJYDILLC-NWDGAFQWSA-N 1 1 322.369 -1.808 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001333874338 917466097 /nfs/dbraw/zinc/46/60/97/917466097.db2.gz SHWCRAGOIDOJHK-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001333874338 917466108 /nfs/dbraw/zinc/46/61/08/917466108.db2.gz SHWCRAGOIDOJHK-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC001333965021 917469178 /nfs/dbraw/zinc/46/91/78/917469178.db2.gz PWRRVFGPUAKHKO-UHFFFAOYSA-N 1 1 309.370 -1.297 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)cn1 ZINC001334057456 917471255 /nfs/dbraw/zinc/47/12/55/917471255.db2.gz ORKCMGNMIHGGQY-RYUDHWBXSA-N 1 1 320.397 -1.065 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)cn1 ZINC001334057456 917471264 /nfs/dbraw/zinc/47/12/64/917471264.db2.gz ORKCMGNMIHGGQY-RYUDHWBXSA-N 1 1 320.397 -1.065 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC2(COC2)C1 ZINC001334082823 917474653 /nfs/dbraw/zinc/47/46/53/917474653.db2.gz LWDVBVAIMULXJK-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316892 917483261 /nfs/dbraw/zinc/48/32/61/917483261.db2.gz VOAYSRNSYWTVDE-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316892 917483272 /nfs/dbraw/zinc/48/32/72/917483272.db2.gz VOAYSRNSYWTVDE-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(NCCOCCF)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001334357324 917486498 /nfs/dbraw/zinc/48/64/98/917486498.db2.gz RFROHQPBWWWZER-WDEREUQCSA-N 1 1 303.334 -1.634 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC001334452633 917490552 /nfs/dbraw/zinc/49/05/52/917490552.db2.gz YRKTYJYEAFWWDT-AXFHLTTASA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC001334452633 917490565 /nfs/dbraw/zinc/49/05/65/917490565.db2.gz YRKTYJYEAFWWDT-AXFHLTTASA-N 1 1 313.354 -1.404 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001334501125 917492366 /nfs/dbraw/zinc/49/23/66/917492366.db2.gz QIZOGCOGORQACR-WDEREUQCSA-N 1 1 324.385 -1.738 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001334501301 917494253 /nfs/dbraw/zinc/49/42/53/917494253.db2.gz FRYQOFOALHTUPW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001334501301 917494258 /nfs/dbraw/zinc/49/42/58/917494258.db2.gz FRYQOFOALHTUPW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001334595178 917497407 /nfs/dbraw/zinc/49/74/07/917497407.db2.gz HUACLLXHUXEHLK-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001334599133 917498573 /nfs/dbraw/zinc/49/85/73/917498573.db2.gz PGKWUKBMALROCP-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001334599133 917498590 /nfs/dbraw/zinc/49/85/90/917498590.db2.gz PGKWUKBMALROCP-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001334639193 917499353 /nfs/dbraw/zinc/49/93/53/917499353.db2.gz BNVCHGXEFOGRDP-IIEFLBBWSA-N 1 1 322.409 -1.360 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC001334639237 917500224 /nfs/dbraw/zinc/50/02/24/917500224.db2.gz BVSNNVDWLFPQDM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)C(N)=O)C1 ZINC001334653483 917502236 /nfs/dbraw/zinc/50/22/36/917502236.db2.gz GNTSLHFFCCRHDK-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@H+](CN2CC3(COC3)CC2=O)C1 ZINC001334743127 917504926 /nfs/dbraw/zinc/50/49/26/917504926.db2.gz NWKQFVZBBWIDJA-JTQLQIEISA-N 1 1 303.384 -1.197 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@@H+](CN2CC3(COC3)CC2=O)C1 ZINC001334743127 917504935 /nfs/dbraw/zinc/50/49/35/917504935.db2.gz NWKQFVZBBWIDJA-JTQLQIEISA-N 1 1 303.384 -1.197 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)C1=O ZINC001334764155 917505296 /nfs/dbraw/zinc/50/52/96/917505296.db2.gz RWLDVOZTEWCBAW-QMTHXVAHSA-N 1 1 324.381 -1.016 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCCCN2CC[NH+](C)CC2)C1=O ZINC001334747485 917505919 /nfs/dbraw/zinc/50/59/19/917505919.db2.gz ONIOCVQLJCKNDQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001334787856 917508477 /nfs/dbraw/zinc/50/84/77/917508477.db2.gz KUEKMUREUYZXTE-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001334787857 917509044 /nfs/dbraw/zinc/50/90/44/917509044.db2.gz KUEKMUREUYZXTE-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC001334935903 917511204 /nfs/dbraw/zinc/51/12/04/917511204.db2.gz PEFXHDSWSZTXIG-OAHLLOKOSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C2CCC1(CO)CC2 ZINC001335151434 917527966 /nfs/dbraw/zinc/52/79/66/917527966.db2.gz SGAGZDMVRUHRJP-BWAOXVRWSA-N 1 1 323.393 -1.220 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001335207294 917531648 /nfs/dbraw/zinc/53/16/48/917531648.db2.gz KWDVNTJWGFMJDC-AGIUHOORSA-N 1 1 311.430 -1.408 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001335207294 917531658 /nfs/dbraw/zinc/53/16/58/917531658.db2.gz KWDVNTJWGFMJDC-AGIUHOORSA-N 1 1 311.430 -1.408 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC001335226031 917532781 /nfs/dbraw/zinc/53/27/81/917532781.db2.gz WZRWSODBJXHOQX-GFCCVEGCSA-N 1 1 313.402 -1.850 20 0 DAADMO O=C(NCC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335205566 917533995 /nfs/dbraw/zinc/53/39/95/917533995.db2.gz VFPOQJIIVOSJQQ-STQMWFEESA-N 1 1 310.398 -1.620 20 0 DAADMO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001335279663 917538637 /nfs/dbraw/zinc/53/86/37/917538637.db2.gz ZBQXFBDQQVUBQU-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335255452 917539533 /nfs/dbraw/zinc/53/95/33/917539533.db2.gz MDZDBWQJVWNWRP-YNEHKIRRSA-N 1 1 312.414 -1.103 20 0 DAADMO CCn1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1=O ZINC001335301468 917541823 /nfs/dbraw/zinc/54/18/23/917541823.db2.gz VDEVTAXUPPBGEQ-LBPRGKRZSA-N 1 1 322.365 -1.011 20 0 DAADMO CN(C)S(=O)(=O)n1ccnc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC001335329488 917544607 /nfs/dbraw/zinc/54/46/07/917544607.db2.gz JSEGOLZYTNBKLP-LLVKDONJSA-N 1 1 317.415 -1.306 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCCNC(=O)C3)[C@@H]2C1 ZINC001335950539 917565622 /nfs/dbraw/zinc/56/56/22/917565622.db2.gz RUIKWMQMKSTNTQ-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CCS(=O)(=O)CC[NH2+]CC(=O)NCCN1CCOCC1 ZINC001335942053 917566212 /nfs/dbraw/zinc/56/62/12/917566212.db2.gz OSJPTYFOWIZKHN-UHFFFAOYSA-N 1 1 307.416 -1.541 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccn(CCF)n2)C1 ZINC001335954638 917569111 /nfs/dbraw/zinc/56/91/11/917569111.db2.gz IHGJPKXXPRMOAW-CYBMUJFWSA-N 1 1 313.333 -1.026 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001336134066 917570352 /nfs/dbraw/zinc/57/03/52/917570352.db2.gz KQDWHFISKGDQJV-MELADBBJSA-N 1 1 324.425 -1.149 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001336134066 917570368 /nfs/dbraw/zinc/57/03/68/917570368.db2.gz KQDWHFISKGDQJV-MELADBBJSA-N 1 1 324.425 -1.149 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001336134065 917570717 /nfs/dbraw/zinc/57/07/17/917570717.db2.gz KQDWHFISKGDQJV-IHRRRGAJSA-N 1 1 324.425 -1.149 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001336134065 917570733 /nfs/dbraw/zinc/57/07/33/917570733.db2.gz KQDWHFISKGDQJV-IHRRRGAJSA-N 1 1 324.425 -1.149 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001336228441 917573725 /nfs/dbraw/zinc/57/37/25/917573725.db2.gz BUDZKCYDGRGDKC-TUKIKUTGSA-N 1 1 313.398 -1.354 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001336228441 917573741 /nfs/dbraw/zinc/57/37/41/917573741.db2.gz BUDZKCYDGRGDKC-TUKIKUTGSA-N 1 1 313.398 -1.354 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC001336299999 917577922 /nfs/dbraw/zinc/57/79/22/917577922.db2.gz YIQGHBVOANZDKK-TUAOUCFPSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC001336299997 917578072 /nfs/dbraw/zinc/57/80/72/917578072.db2.gz YIQGHBVOANZDKK-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001336365560 917579577 /nfs/dbraw/zinc/57/95/77/917579577.db2.gz UETYQGDAZNERHS-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001336365560 917579587 /nfs/dbraw/zinc/57/95/87/917579587.db2.gz UETYQGDAZNERHS-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001336327176 917580056 /nfs/dbraw/zinc/58/00/56/917580056.db2.gz LTGYZHXEAYDCJA-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001336327176 917580063 /nfs/dbraw/zinc/58/00/63/917580063.db2.gz LTGYZHXEAYDCJA-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 ZINC001336343476 917580464 /nfs/dbraw/zinc/58/04/64/917580464.db2.gz IOGJKPFMGIZVNS-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001336331213 917580689 /nfs/dbraw/zinc/58/06/89/917580689.db2.gz YHFBGSDBMAIAIG-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001336331213 917580696 /nfs/dbraw/zinc/58/06/96/917580696.db2.gz YHFBGSDBMAIAIG-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001336431166 917582904 /nfs/dbraw/zinc/58/29/04/917582904.db2.gz OCVMUDSHOXXPPG-NWDGAFQWSA-N 1 1 307.354 -1.686 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001336473863 917584973 /nfs/dbraw/zinc/58/49/73/917584973.db2.gz MDDDFGMVPAHZTD-GFCCVEGCSA-N 1 1 311.382 -1.339 20 0 DAADMO CC1(C)C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CO1 ZINC001336464857 917586775 /nfs/dbraw/zinc/58/67/75/917586775.db2.gz WFSOPJIIRGRGFR-GRYCIOLGSA-N 1 1 311.382 -1.053 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)NC(=O)CC(N)=O)C1 ZINC001337215070 917611873 /nfs/dbraw/zinc/61/18/73/917611873.db2.gz UTBFFUFPJCAQLP-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)NC(=O)CC(N)=O)C1 ZINC001337215070 917611883 /nfs/dbraw/zinc/61/18/83/917611883.db2.gz UTBFFUFPJCAQLP-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337602122 917632308 /nfs/dbraw/zinc/63/23/08/917632308.db2.gz MPRCYURCMXSGSH-NXEZZACHSA-N 1 1 300.359 -2.203 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610886 917633473 /nfs/dbraw/zinc/63/34/73/917633473.db2.gz XGIJGQGNBRPRJG-STQMWFEESA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C2CC=CC2)C1 ZINC001337610886 917633482 /nfs/dbraw/zinc/63/34/82/917633482.db2.gz XGIJGQGNBRPRJG-STQMWFEESA-N 1 1 311.382 -1.124 20 0 DAADMO CCOCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001337654911 917641184 /nfs/dbraw/zinc/64/11/84/917641184.db2.gz FTFIFJQAGLBVHW-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001337769115 917652680 /nfs/dbraw/zinc/65/26/80/917652680.db2.gz TZKRKDXQKVZUEQ-WDEREUQCSA-N 1 1 323.353 -2.079 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CCN(C)CC[N@H+](C)CC2)n1 ZINC001337811504 917656372 /nfs/dbraw/zinc/65/63/72/917656372.db2.gz BBGHAQFCYQNWGC-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CCN(C)CC[N@@H+](C)CC2)n1 ZINC001337811504 917656379 /nfs/dbraw/zinc/65/63/79/917656379.db2.gz BBGHAQFCYQNWGC-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO C[C@H]1CCOCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001338092347 917669256 /nfs/dbraw/zinc/66/92/56/917669256.db2.gz SJBQUUAXISAWAU-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO NC(=O)C(NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(N)=O ZINC001338130574 917669486 /nfs/dbraw/zinc/66/94/86/917669486.db2.gz CWCQNOAJLZZNMQ-NSHDSACASA-N 1 1 319.365 -1.251 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CC=C[C@H]2CO)CC[N@@H+]1CCO ZINC001338186315 917673299 /nfs/dbraw/zinc/67/32/99/917673299.db2.gz XFBVMNFLXAKDHP-LBPRGKRZSA-N 1 1 311.382 -1.339 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CC=C[C@H]2CO)CC[N@H+]1CCO ZINC001338186315 917673309 /nfs/dbraw/zinc/67/33/09/917673309.db2.gz XFBVMNFLXAKDHP-LBPRGKRZSA-N 1 1 311.382 -1.339 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001338454965 917684054 /nfs/dbraw/zinc/68/40/54/917684054.db2.gz YALFPQIQBBLHKZ-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001338456253 917684336 /nfs/dbraw/zinc/68/43/36/917684336.db2.gz NFKSTWIQOLIVHQ-RKDXNWHRSA-N 1 1 302.331 -3.262 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001338456253 917684347 /nfs/dbraw/zinc/68/43/47/917684347.db2.gz NFKSTWIQOLIVHQ-RKDXNWHRSA-N 1 1 302.331 -3.262 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001338528032 917690802 /nfs/dbraw/zinc/69/08/02/917690802.db2.gz IULSNSBDYXRFRQ-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001338598615 917699949 /nfs/dbraw/zinc/69/99/49/917699949.db2.gz YOMPFTKZUBJTMW-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNS(C)(=O)=O ZINC001338672378 917702632 /nfs/dbraw/zinc/70/26/32/917702632.db2.gz NHBWSJDGEJDZDH-LLVKDONJSA-N 1 1 321.447 -1.529 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C(N)=O ZINC001338657698 917703357 /nfs/dbraw/zinc/70/33/57/917703357.db2.gz CODXQWDCDZMLKX-NXEZZACHSA-N 1 1 300.359 -2.299 20 0 DAADMO CC(C)N(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001338786914 917704828 /nfs/dbraw/zinc/70/48/28/917704828.db2.gz GYFNXRGGTVSZMH-NSHDSACASA-N 1 1 314.386 -1.502 20 0 DAADMO CC(C)N(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001338786914 917704845 /nfs/dbraw/zinc/70/48/45/917704845.db2.gz GYFNXRGGTVSZMH-NSHDSACASA-N 1 1 314.386 -1.502 20 0 DAADMO CN1CC[N@H+](C)C[C@@H]1CNC(=S)NCCNS(C)(=O)=O ZINC001338809197 917708752 /nfs/dbraw/zinc/70/87/52/917708752.db2.gz JZCDZBBLMVDBFJ-JTQLQIEISA-N 1 1 323.488 -1.755 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=S)NCCNS(C)(=O)=O ZINC001338809197 917708761 /nfs/dbraw/zinc/70/87/61/917708761.db2.gz JZCDZBBLMVDBFJ-JTQLQIEISA-N 1 1 323.488 -1.755 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCN1C(=O)CCC1=O ZINC001339048823 917710651 /nfs/dbraw/zinc/71/06/51/917710651.db2.gz SXZNCVSOGUHYFJ-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001339377439 917715386 /nfs/dbraw/zinc/71/53/86/917715386.db2.gz KGWBJASRCSAPAE-JTQLQIEISA-N 1 1 318.399 -1.360 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCCn2cc(CO)nn2)C1 ZINC001339429434 917717272 /nfs/dbraw/zinc/71/72/72/917717272.db2.gz RMJCATYKSZTZQX-UHFFFAOYSA-N 1 1 310.402 -1.230 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001339535638 917718453 /nfs/dbraw/zinc/71/84/53/917718453.db2.gz UQQIADFLMVXCME-UHFFFAOYSA-N 1 1 305.338 -1.048 20 0 DAADMO CNC(=O)C[NH+]1CCC(N2C(=O)[C@H]3[C@H](O)CCCN3C2=O)CC1 ZINC001339979360 917723933 /nfs/dbraw/zinc/72/39/33/917723933.db2.gz JPWIPTLPHAPVAJ-DGCLKSJQSA-N 1 1 324.381 -1.016 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001340212845 917730055 /nfs/dbraw/zinc/73/00/55/917730055.db2.gz UKSIFRXRVYLFEE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1CCN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340241932 917733653 /nfs/dbraw/zinc/73/36/53/917733653.db2.gz RWZQBGZHUHLLRF-CYBMUJFWSA-N 1 1 311.430 -1.453 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC001340596429 917736274 /nfs/dbraw/zinc/73/62/74/917736274.db2.gz JGPJBNUUTDGYAO-TUAOUCFPSA-N 1 1 324.381 -1.558 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC001340822124 917742735 /nfs/dbraw/zinc/74/27/35/917742735.db2.gz MMIRYGWNMLZIKN-GFCCVEGCSA-N 1 1 321.443 -1.152 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001340855463 917743628 /nfs/dbraw/zinc/74/36/28/917743628.db2.gz BQLISQVKCQVMJU-SCZZXKLOSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001340855463 917743643 /nfs/dbraw/zinc/74/36/43/917743643.db2.gz BQLISQVKCQVMJU-SCZZXKLOSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001340855467 917743877 /nfs/dbraw/zinc/74/38/77/917743877.db2.gz BQLISQVKCQVMJU-WPRPVWTQSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001340855467 917743887 /nfs/dbraw/zinc/74/38/87/917743887.db2.gz BQLISQVKCQVMJU-WPRPVWTQSA-N 1 1 311.342 -1.170 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340929833 917746172 /nfs/dbraw/zinc/74/61/72/917746172.db2.gz LXKMVVLMTGALJX-QLFBSQMISA-N 1 1 307.442 -1.119 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C(=O)OC)C1 ZINC001341182862 917748780 /nfs/dbraw/zinc/74/87/80/917748780.db2.gz FVQKJJPDVIABLT-LLVKDONJSA-N 1 1 315.370 -1.298 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1O ZINC001341318593 917753996 /nfs/dbraw/zinc/75/39/96/917753996.db2.gz XQRVSJOKHMXEHU-HFAKWTLXSA-N 1 1 324.381 -1.964 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001341649474 917759586 /nfs/dbraw/zinc/75/95/86/917759586.db2.gz MCQPWSVSCYEYRE-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001341663707 917760529 /nfs/dbraw/zinc/76/05/29/917760529.db2.gz GHYOTMPNENUJOT-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001341753120 917763916 /nfs/dbraw/zinc/76/39/16/917763916.db2.gz QLYNNLOMKYUSAK-OUAUKWLOSA-N 1 1 324.381 -1.966 20 0 DAADMO C[C@]12C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC001341783623 917766327 /nfs/dbraw/zinc/76/63/27/917766327.db2.gz DVVQLYOVGQXXLP-LEWSCRJBSA-N 1 1 312.366 -1.127 20 0 DAADMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001341853896 917766433 /nfs/dbraw/zinc/76/64/33/917766433.db2.gz FKNQWWDSQCERIV-NSHDSACASA-N 1 1 313.354 -1.048 20 0 DAADMO Cn1ccc(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001342102205 917778504 /nfs/dbraw/zinc/77/85/04/917778504.db2.gz YYOTUPGWTUPUNY-CYBMUJFWSA-N 1 1 322.413 -1.559 20 0 DAADMO C[C@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)N1CCNCC1=O ZINC001342155554 917778877 /nfs/dbraw/zinc/77/88/77/917778877.db2.gz LJTKPPQDLVWFCP-CYBMUJFWSA-N 1 1 311.430 -1.488 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC001342152148 917779501 /nfs/dbraw/zinc/77/95/01/917779501.db2.gz WMAMIOUFVMXFIH-UHFFFAOYSA-N 1 1 310.354 -1.538 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001342468388 917784186 /nfs/dbraw/zinc/78/41/86/917784186.db2.gz ZEHLIPWCKJUNJC-MNOVXSKESA-N 1 1 324.385 -1.822 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC001342410899 917786113 /nfs/dbraw/zinc/78/61/13/917786113.db2.gz NXEKIWSDJLSPAU-LLVKDONJSA-N 1 1 321.385 -1.041 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC001342571627 917787072 /nfs/dbraw/zinc/78/70/72/917787072.db2.gz VNEBCBOQFDKCOQ-OAHLLOKOSA-N 1 1 320.349 -1.093 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC001342735252 917789374 /nfs/dbraw/zinc/78/93/74/917789374.db2.gz UJHRLDDSTCUHLL-VWYCJHECSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC001342735252 917789384 /nfs/dbraw/zinc/78/93/84/917789384.db2.gz UJHRLDDSTCUHLL-VWYCJHECSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001342735249 917789543 /nfs/dbraw/zinc/78/95/43/917789543.db2.gz UJHRLDDSTCUHLL-DCAQKATOSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001342735249 917789559 /nfs/dbraw/zinc/78/95/59/917789559.db2.gz UJHRLDDSTCUHLL-DCAQKATOSA-N 1 1 314.386 -1.585 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001344070181 917817671 /nfs/dbraw/zinc/81/76/71/917817671.db2.gz WERRBDDBRZLEPI-CYBMUJFWSA-N 1 1 309.326 -1.398 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCNS(C)(=O)=O)C1 ZINC001343904669 917818774 /nfs/dbraw/zinc/81/87/74/917818774.db2.gz GIHNCMXZBVDYOJ-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCNS(C)(=O)=O)C1 ZINC001343904669 917818785 /nfs/dbraw/zinc/81/87/85/917818785.db2.gz GIHNCMXZBVDYOJ-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001344549558 917830188 /nfs/dbraw/zinc/83/01/88/917830188.db2.gz PUQGZUOFOXTESS-IUCAKERBSA-N 1 1 304.372 -1.703 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001344549558 917830203 /nfs/dbraw/zinc/83/02/03/917830203.db2.gz PUQGZUOFOXTESS-IUCAKERBSA-N 1 1 304.372 -1.703 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC001344729826 917830941 /nfs/dbraw/zinc/83/09/41/917830941.db2.gz SIBHTNYFLOCODZ-GFCCVEGCSA-N 1 1 308.382 -1.016 20 0 DAADMO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001344777171 917831146 /nfs/dbraw/zinc/83/11/46/917831146.db2.gz XXHGRQFUGATSPX-SDDRHHMPSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001345201850 917838741 /nfs/dbraw/zinc/83/87/41/917838741.db2.gz BBSGJXWSJLSMRI-QWHCGFSZSA-N 1 1 314.430 -1.175 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC001345206634 917839664 /nfs/dbraw/zinc/83/96/64/917839664.db2.gz XHVCFKKMKXENOG-VHSXEESVSA-N 1 1 307.358 -1.431 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC001345571451 917848148 /nfs/dbraw/zinc/84/81/48/917848148.db2.gz QAXZBFQMDVIBRO-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC001345579692 917848710 /nfs/dbraw/zinc/84/87/10/917848710.db2.gz VJTWRBABHLWMPZ-JTQLQIEISA-N 1 1 312.374 -1.313 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC001345571450 917848941 /nfs/dbraw/zinc/84/89/41/917848941.db2.gz QAXZBFQMDVIBRO-SRVKXCTJSA-N 1 1 324.381 -1.687 20 0 DAADMO CCn1nc(C)c(CNC(=O)C(=O)NCC(F)(F)C[NH3+])n1 ZINC001345595256 917850501 /nfs/dbraw/zinc/85/05/01/917850501.db2.gz KSAWOYYMEXLOQS-UHFFFAOYSA-N 1 1 304.301 -1.067 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001345691181 917851742 /nfs/dbraw/zinc/85/17/42/917851742.db2.gz JOAAXSIGQUSRNL-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001345834372 917862870 /nfs/dbraw/zinc/86/28/70/917862870.db2.gz XQGKQAVTCYAULU-NWDGAFQWSA-N 1 1 318.443 -1.180 20 0 DAADMO [NH3+]CCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001345957982 917864937 /nfs/dbraw/zinc/86/49/37/917864937.db2.gz FYQIMKTUIUGKCO-OLZOCXBDSA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCNS(C)(=O)=O ZINC001346152536 917872241 /nfs/dbraw/zinc/87/22/41/917872241.db2.gz IXBXIOAXWNRLQY-QWRGUYRKSA-N 1 1 304.416 -1.570 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001346191382 917873384 /nfs/dbraw/zinc/87/33/84/917873384.db2.gz VLCPYTJNJBWVHI-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC[N@H+]1C ZINC001346277692 917879739 /nfs/dbraw/zinc/87/97/39/917879739.db2.gz REBBTFSUUFXERG-UTUOFQBUSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC[N@H+]1C ZINC001346277675 917879833 /nfs/dbraw/zinc/87/98/33/917879833.db2.gz REBBTFSUUFXERG-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001346257238 917879977 /nfs/dbraw/zinc/87/99/77/917879977.db2.gz WVAXPVXYRMITBM-MNOVXSKESA-N 1 1 321.381 -1.425 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001346315140 917882378 /nfs/dbraw/zinc/88/23/78/917882378.db2.gz HWECZFZYHPWHRW-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCc1cn(C)nn1)C[NH+]1CCOCC1 ZINC001346321305 917882667 /nfs/dbraw/zinc/88/26/67/917882667.db2.gz HSQBFHFHHKKSPR-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001346422256 917889865 /nfs/dbraw/zinc/88/98/65/917889865.db2.gz BYSHQUUOSNCWPC-NSHDSACASA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001346422256 917889871 /nfs/dbraw/zinc/88/98/71/917889871.db2.gz BYSHQUUOSNCWPC-NSHDSACASA-N 1 1 314.386 -1.401 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001346518293 917891208 /nfs/dbraw/zinc/89/12/08/917891208.db2.gz QLNARASLDFYCAF-NSHDSACASA-N 1 1 323.401 -1.080 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CO)CC1 ZINC001346519369 917892639 /nfs/dbraw/zinc/89/26/39/917892639.db2.gz WHHXOGCOJBTRME-QWHCGFSZSA-N 1 1 311.382 -1.505 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001346518277 917893321 /nfs/dbraw/zinc/89/33/21/917893321.db2.gz QLNARASLDFYCAF-LLVKDONJSA-N 1 1 323.401 -1.080 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCOC1 ZINC001346629458 917895353 /nfs/dbraw/zinc/89/53/53/917895353.db2.gz DFVJXNGTLTXXPV-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001346770387 917897563 /nfs/dbraw/zinc/89/75/63/917897563.db2.gz QKZASLSSYDLAGZ-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)[C@H]2C1 ZINC001346804269 917899123 /nfs/dbraw/zinc/89/91/23/917899123.db2.gz YJWPECNVZJCKJT-GUBZILKMSA-N 1 1 307.354 -1.070 20 0 DAADMO COC1(OC)CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@@H]1O ZINC001347205988 917912488 /nfs/dbraw/zinc/91/24/88/917912488.db2.gz RTEUZADLOSSCMR-AGIUHOORSA-N 1 1 313.398 -1.043 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001347189756 917913480 /nfs/dbraw/zinc/91/34/80/917913480.db2.gz GETMVVLMPSISAB-YFKTTZPYSA-N 1 1 306.366 -1.552 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001347349096 917917259 /nfs/dbraw/zinc/91/72/59/917917259.db2.gz YSPVUEOUULXEQL-NSHDSACASA-N 1 1 322.369 -1.066 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001347347838 917918283 /nfs/dbraw/zinc/91/82/83/917918283.db2.gz KWZNJOHBEFFMQY-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCC(O)(CO)CC1)C1CC1 ZINC001347489194 917919115 /nfs/dbraw/zinc/91/91/15/917919115.db2.gz GJZIFNXLFZNPQP-UHFFFAOYSA-N 1 1 313.398 -1.067 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1=O ZINC001347772979 917922605 /nfs/dbraw/zinc/92/26/05/917922605.db2.gz QQHDTOOZHKMFBD-UHFFFAOYSA-N 1 1 309.370 -1.661 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCCS(N)(=O)=O ZINC001347639593 917923191 /nfs/dbraw/zinc/92/31/91/917923191.db2.gz QHGOTGNOXFZUFW-MNOVXSKESA-N 1 1 304.416 -1.440 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+](C)CCOCCO ZINC001348131933 917928649 /nfs/dbraw/zinc/92/86/49/917928649.db2.gz MHLCWNSYOYMKIG-UONOGXRCSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131933 917928661 /nfs/dbraw/zinc/92/86/61/917928661.db2.gz MHLCWNSYOYMKIG-UONOGXRCSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131933 917928682 /nfs/dbraw/zinc/92/86/82/917928682.db2.gz MHLCWNSYOYMKIG-UONOGXRCSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131933 917928685 /nfs/dbraw/zinc/92/86/85/917928685.db2.gz MHLCWNSYOYMKIG-UONOGXRCSA-N 1 1 314.430 -1.568 20 0 DAADMO COC(=O)[C@]1(N2CC[NH+](CCOCCO)CC2)CCOC1 ZINC001348189833 917930517 /nfs/dbraw/zinc/93/05/17/917930517.db2.gz UVWHUMZXGYPIHL-AWEZNQCLSA-N 1 1 302.371 -1.055 20 0 DAADMO CC(C)(CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001348319499 917936239 /nfs/dbraw/zinc/93/62/39/917936239.db2.gz GZFIUIIXEMSXBD-SECBINFHSA-N 1 1 321.399 -1.970 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(C)C2CC(O)C2)C[C@H](C)[N@H+]1CCO ZINC001348358962 917941551 /nfs/dbraw/zinc/94/15/51/917941551.db2.gz VLXXKOPUSDSKBB-MPEURRAXSA-N 1 1 313.398 -1.118 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(C)C2CC(O)C2)C[C@H](C)[N@@H+]1CCO ZINC001348358962 917941562 /nfs/dbraw/zinc/94/15/62/917941562.db2.gz VLXXKOPUSDSKBB-MPEURRAXSA-N 1 1 313.398 -1.118 20 0 DAADMO COc1cncnc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001348376764 917941693 /nfs/dbraw/zinc/94/16/93/917941693.db2.gz BOPQOTJFIISXGC-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO COc1cncnc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001348369808 917941747 /nfs/dbraw/zinc/94/17/47/917941747.db2.gz BOPQOTJFIISXGC-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001348377401 917942317 /nfs/dbraw/zinc/94/23/17/917942317.db2.gz GODWPNGELUUSKE-LBPRGKRZSA-N 1 1 324.381 -1.062 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001348424146 917944042 /nfs/dbraw/zinc/94/40/42/917944042.db2.gz YVNFOIWEIISPJW-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001348409805 917945740 /nfs/dbraw/zinc/94/57/40/917945740.db2.gz NTXCBXMWWPKDMC-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001348409805 917945753 /nfs/dbraw/zinc/94/57/53/917945753.db2.gz NTXCBXMWWPKDMC-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001348544826 917953752 /nfs/dbraw/zinc/95/37/52/917953752.db2.gz AYBKBUCQGXLZNX-RYUDHWBXSA-N 1 1 321.381 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CNC(=O)OC)C1 ZINC001348556017 917953925 /nfs/dbraw/zinc/95/39/25/917953925.db2.gz GKBGIVZYPUQUJB-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CNC(=O)OC)C1 ZINC001348556017 917953928 /nfs/dbraw/zinc/95/39/28/917953928.db2.gz GKBGIVZYPUQUJB-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC001348699231 917964709 /nfs/dbraw/zinc/96/47/09/917964709.db2.gz ATIFLDFGDCSMEG-WDEREUQCSA-N 1 1 312.370 -1.972 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC001348699231 917964733 /nfs/dbraw/zinc/96/47/33/917964733.db2.gz ATIFLDFGDCSMEG-WDEREUQCSA-N 1 1 312.370 -1.972 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC001348699230 917965108 /nfs/dbraw/zinc/96/51/08/917965108.db2.gz ATIFLDFGDCSMEG-QWRGUYRKSA-N 1 1 312.370 -1.972 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC001348699230 917965131 /nfs/dbraw/zinc/96/51/31/917965131.db2.gz ATIFLDFGDCSMEG-QWRGUYRKSA-N 1 1 312.370 -1.972 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001348699225 917965193 /nfs/dbraw/zinc/96/51/93/917965193.db2.gz ARMROSYKAGLWQY-JTQLQIEISA-N 1 1 309.326 -2.054 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001348699225 917965210 /nfs/dbraw/zinc/96/52/10/917965210.db2.gz ARMROSYKAGLWQY-JTQLQIEISA-N 1 1 309.326 -2.054 20 0 DAADMO Cn1nc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1=O ZINC001348699606 917965542 /nfs/dbraw/zinc/96/55/42/917965542.db2.gz CJDQNBUYRJNVQP-NSHDSACASA-N 1 1 323.353 -2.043 20 0 DAADMO Cn1nc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001348699606 917965552 /nfs/dbraw/zinc/96/55/52/917965552.db2.gz CJDQNBUYRJNVQP-NSHDSACASA-N 1 1 323.353 -2.043 20 0 DAADMO Cn1nc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)ccc1=O ZINC001348699605 917965792 /nfs/dbraw/zinc/96/57/92/917965792.db2.gz CJDQNBUYRJNVQP-LLVKDONJSA-N 1 1 323.353 -2.043 20 0 DAADMO Cn1nc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001348699605 917965806 /nfs/dbraw/zinc/96/58/06/917965806.db2.gz CJDQNBUYRJNVQP-LLVKDONJSA-N 1 1 323.353 -2.043 20 0 DAADMO CN(C)C(=O)CC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001348702177 917966830 /nfs/dbraw/zinc/96/68/30/917966830.db2.gz RXKHLXJXODBKFG-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CN(C)C(=O)CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001348702177 917966844 /nfs/dbraw/zinc/96/68/44/917966844.db2.gz RXKHLXJXODBKFG-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](C)n2cncn2)C1 ZINC001348818772 917971136 /nfs/dbraw/zinc/97/11/36/917971136.db2.gz GDTYRSPIFMRTGV-RYUDHWBXSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H](C)n2cncn2)C1 ZINC001348818772 917971151 /nfs/dbraw/zinc/97/11/51/917971151.db2.gz GDTYRSPIFMRTGV-RYUDHWBXSA-N 1 1 324.385 -1.208 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C1(NC(N)=O)CC1 ZINC001348818540 917971848 /nfs/dbraw/zinc/97/18/48/917971848.db2.gz AMZNHWZKBOMRBB-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001348906884 917979788 /nfs/dbraw/zinc/97/97/88/917979788.db2.gz HZCHQMDLPODIGI-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001348906884 917979797 /nfs/dbraw/zinc/97/97/97/917979797.db2.gz HZCHQMDLPODIGI-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccn(CCF)n1 ZINC001348910597 917981996 /nfs/dbraw/zinc/98/19/96/917981996.db2.gz JGDWXYLEFNZTKZ-JTQLQIEISA-N 1 1 313.333 -1.026 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C[C@@H](C)NC(N)=O ZINC001348982117 917985265 /nfs/dbraw/zinc/98/52/65/917985265.db2.gz RCLBAMCBUOXSRI-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCNCC1)C2=O ZINC001349110785 917996049 /nfs/dbraw/zinc/99/60/49/917996049.db2.gz GAJBYMXISWYUCE-IAQYHMDHSA-N 1 1 323.397 -1.142 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349173569 917997597 /nfs/dbraw/zinc/99/75/97/917997597.db2.gz HRYBDUDZWGKHMG-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349173566 917997624 /nfs/dbraw/zinc/99/76/24/917997624.db2.gz HRYBDUDZWGKHMG-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)c1ccc(=O)n(C)n1 ZINC001349174342 917998395 /nfs/dbraw/zinc/99/83/95/917998395.db2.gz UMORFCSTKKPKCQ-UHFFFAOYSA-N 1 1 309.370 -1.034 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001349286951 918008176 /nfs/dbraw/zinc/00/81/76/918008176.db2.gz DASQOEDAJZNBHH-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC(O)(C(=O)OC)C1 ZINC001349329812 918011765 /nfs/dbraw/zinc/01/17/65/918011765.db2.gz CRMDOHNDPONLPX-UHFFFAOYSA-N 1 1 315.370 -1.419 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)O1 ZINC001349498155 918022870 /nfs/dbraw/zinc/02/28/70/918022870.db2.gz WNHSHYSAQDUFKW-LBELIVKGSA-N 1 1 311.382 -1.054 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)CNC(C)=O)C1 ZINC001349620142 918028391 /nfs/dbraw/zinc/02/83/91/918028391.db2.gz NNVVTUHVAAWKBC-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)CNC(C)=O)C1 ZINC001349620142 918028402 /nfs/dbraw/zinc/02/84/02/918028402.db2.gz NNVVTUHVAAWKBC-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC001349670381 918029435 /nfs/dbraw/zinc/02/94/35/918029435.db2.gz MADZVISXTYBMBL-KOLCDFICSA-N 1 1 310.358 -1.733 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001349670381 918029441 /nfs/dbraw/zinc/02/94/41/918029441.db2.gz MADZVISXTYBMBL-KOLCDFICSA-N 1 1 310.358 -1.733 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001349672408 918030481 /nfs/dbraw/zinc/03/04/81/918030481.db2.gz DBRSZATWNLYASS-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC001349672408 918030496 /nfs/dbraw/zinc/03/04/96/918030496.db2.gz DBRSZATWNLYASS-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1nn(C)cc1S(=O)(=O)NCC[N@H+](C)CCOCCO ZINC001349773455 918035870 /nfs/dbraw/zinc/03/58/70/918035870.db2.gz KSRLWEXEHPPYAZ-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1nn(C)cc1S(=O)(=O)NCC[N@@H+](C)CCOCCO ZINC001349773455 918035883 /nfs/dbraw/zinc/03/58/83/918035883.db2.gz KSRLWEXEHPPYAZ-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001349855708 918040981 /nfs/dbraw/zinc/04/09/81/918040981.db2.gz KXZXJNFMGQMWFO-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001349855708 918040996 /nfs/dbraw/zinc/04/09/96/918040996.db2.gz KXZXJNFMGQMWFO-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)C(C)(C)C(N)=O)C1 ZINC001349854752 918042413 /nfs/dbraw/zinc/04/24/13/918042413.db2.gz CVDFQEYQNQSOCA-JTQLQIEISA-N 1 1 314.386 -1.549 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)C(C)(C)C(N)=O)C1 ZINC001349854752 918042428 /nfs/dbraw/zinc/04/24/28/918042428.db2.gz CVDFQEYQNQSOCA-JTQLQIEISA-N 1 1 314.386 -1.549 20 0 DAADMO Cn1cc(C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n(C)c1=O ZINC001350069716 918048094 /nfs/dbraw/zinc/04/80/94/918048094.db2.gz QHDHSGCWMOTVIF-LLVKDONJSA-N 1 1 323.397 -1.088 20 0 DAADMO CCN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001350281499 918057719 /nfs/dbraw/zinc/05/77/19/918057719.db2.gz PIDMWLHOTVSHJE-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCNC2=O)CC[N@H+]1C ZINC001350397616 918062400 /nfs/dbraw/zinc/06/24/00/918062400.db2.gz ARHDYLYIYZJARB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC=C[C@@H]2CO)n1C ZINC001350398742 918062695 /nfs/dbraw/zinc/06/26/95/918062695.db2.gz IJAPOBFREJYRBG-SNVBAGLBSA-N 1 1 307.354 -1.138 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCN1CCNC1=O)C1=CC[N@@H+](C)CC1 ZINC001350472818 918064804 /nfs/dbraw/zinc/06/48/04/918064804.db2.gz YOVZLZGYWCORLQ-NSHDSACASA-N 1 1 323.397 -1.106 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)nn1 ZINC001350734748 918072553 /nfs/dbraw/zinc/07/25/53/918072553.db2.gz MQSPVNZQWIHNGE-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC001350755819 918073493 /nfs/dbraw/zinc/07/34/93/918073493.db2.gz JBOWFEXCYBNRDY-VIFPVBQESA-N 1 1 323.353 -1.010 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)nn1 ZINC001350734744 918073643 /nfs/dbraw/zinc/07/36/43/918073643.db2.gz MQSPVNZQWIHNGE-LLVKDONJSA-N 1 1 324.385 -1.249 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(O)(COCCO)CC1 ZINC001350927548 918078356 /nfs/dbraw/zinc/07/83/56/918078356.db2.gz UGHZWDASWYEPLX-OCCSQVGLSA-N 1 1 316.398 -1.196 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001351117658 918083528 /nfs/dbraw/zinc/08/35/28/918083528.db2.gz FZVLGXLRGIIZPS-XHDPSFHLSA-N 1 1 310.398 -1.009 20 0 DAADMO CN(CCCNC(=O)Cn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001351225347 918086747 /nfs/dbraw/zinc/08/67/47/918086747.db2.gz FEJDRKKTLOYBHO-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C2CCC1(CO)CC2 ZINC001351164095 918087406 /nfs/dbraw/zinc/08/74/06/918087406.db2.gz IHQBKSSDVYHDAH-MFOWVQHXSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCCNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001351225875 918087445 /nfs/dbraw/zinc/08/74/45/918087445.db2.gz QKJFNTMGLDHGKZ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)CC(=O)N(C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001351345995 918088992 /nfs/dbraw/zinc/08/89/92/918088992.db2.gz UMOMJEOJXDTUEE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)N(C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001351345995 918089006 /nfs/dbraw/zinc/08/90/06/918089006.db2.gz UMOMJEOJXDTUEE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001351543285 918093816 /nfs/dbraw/zinc/09/38/16/918093816.db2.gz BIIZYIIRINQXFF-MNOVXSKESA-N 1 1 310.354 -1.452 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001351543287 918093914 /nfs/dbraw/zinc/09/39/14/918093914.db2.gz BIIZYIIRINQXFF-WDEREUQCSA-N 1 1 310.354 -1.452 20 0 DAADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001351550996 918095265 /nfs/dbraw/zinc/09/52/65/918095265.db2.gz JXWOSLUQXOTJSY-RKDXNWHRSA-N 1 1 307.372 -2.360 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001351543284 918095665 /nfs/dbraw/zinc/09/56/65/918095665.db2.gz BIIZYIIRINQXFF-GHMZBOCLSA-N 1 1 310.354 -1.452 20 0 DAADMO COc1cnc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC001351605673 918099391 /nfs/dbraw/zinc/09/93/91/918099391.db2.gz PYOUKCMZYSHRMB-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO COc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)ncn1 ZINC001351605281 918100268 /nfs/dbraw/zinc/10/02/68/918100268.db2.gz NBZBOFZXXLCHEU-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1=O ZINC001351707184 918106344 /nfs/dbraw/zinc/10/63/44/918106344.db2.gz XSMWOHNLJFENRJ-UHFFFAOYSA-N 1 1 310.354 -1.329 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC001351968988 918115754 /nfs/dbraw/zinc/11/57/54/918115754.db2.gz AFAHMGGMDKGLOP-SNVBAGLBSA-N 1 1 313.354 -1.715 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCn3cncn3)CC[C@@H]21 ZINC001352401021 918121212 /nfs/dbraw/zinc/12/12/12/918121212.db2.gz HLRDSKALXFZJKX-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C(=O)NCCCN1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001352674755 918124463 /nfs/dbraw/zinc/12/44/63/918124463.db2.gz QITBKPNSDACBRD-UHFFFAOYSA-N 1 1 322.369 -1.912 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001352674755 918124473 /nfs/dbraw/zinc/12/44/73/918124473.db2.gz QITBKPNSDACBRD-UHFFFAOYSA-N 1 1 322.369 -1.912 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC001352797686 918128947 /nfs/dbraw/zinc/12/89/47/918128947.db2.gz LCYSQSNHVRSVPX-UONOGXRCSA-N 1 1 324.425 -1.006 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001352797686 918128951 /nfs/dbraw/zinc/12/89/51/918128951.db2.gz LCYSQSNHVRSVPX-UONOGXRCSA-N 1 1 324.425 -1.006 20 0 DAADMO Cn1ncnc1C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001352849334 918135053 /nfs/dbraw/zinc/13/50/53/918135053.db2.gz GEDLQGLQBXKJNE-UHFFFAOYSA-N 1 1 302.404 -1.518 20 0 DAADMO O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001353192819 918146358 /nfs/dbraw/zinc/14/63/58/918146358.db2.gz CVWMIUYIWNNHLS-AXFHLTTASA-N 1 1 315.395 -1.357 20 0 DAADMO CO[C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001353685052 918157540 /nfs/dbraw/zinc/15/75/40/918157540.db2.gz KDUYEWNNHCCRLV-AVGNSLFASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001353883944 918161787 /nfs/dbraw/zinc/16/17/87/918161787.db2.gz PTKXFISFUZNLBX-NWDGAFQWSA-N 1 1 323.397 -1.323 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001354097034 918165188 /nfs/dbraw/zinc/16/51/88/918165188.db2.gz VYMCBHWNYXUUSX-KZWBYHQPSA-N 1 1 308.382 -1.353 20 0 DAADMO C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001354142785 918167641 /nfs/dbraw/zinc/16/76/41/918167641.db2.gz VKHPPKGSJFVXHG-IAZYJMLFSA-N 1 1 322.369 -1.431 20 0 DAADMO C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001354142785 918167649 /nfs/dbraw/zinc/16/76/49/918167649.db2.gz VKHPPKGSJFVXHG-IAZYJMLFSA-N 1 1 322.369 -1.431 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310501 918170946 /nfs/dbraw/zinc/17/09/46/918170946.db2.gz JGPLEUASOVOPSH-WDEREUQCSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310501 918170956 /nfs/dbraw/zinc/17/09/56/918170956.db2.gz JGPLEUASOVOPSH-WDEREUQCSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310495 918171607 /nfs/dbraw/zinc/17/16/07/918171607.db2.gz JGPLEUASOVOPSH-GHMZBOCLSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310495 918171618 /nfs/dbraw/zinc/17/16/18/918171618.db2.gz JGPLEUASOVOPSH-GHMZBOCLSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317817 918174405 /nfs/dbraw/zinc/17/44/05/918174405.db2.gz DQNYNTRRPZKCPO-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317817 918174409 /nfs/dbraw/zinc/17/44/09/918174409.db2.gz DQNYNTRRPZKCPO-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449416 918175286 /nfs/dbraw/zinc/17/52/86/918175286.db2.gz YVABCLJKKRWQBK-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449416 918175302 /nfs/dbraw/zinc/17/53/02/918175302.db2.gz YVABCLJKKRWQBK-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO [NH3+]CCNCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001354633273 918184751 /nfs/dbraw/zinc/18/47/51/918184751.db2.gz ZOOLFCJZXMNTCZ-CQSZACIVSA-N 1 1 313.446 -1.553 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001354617674 918184990 /nfs/dbraw/zinc/18/49/90/918184990.db2.gz NFXNEZAOXADQLM-KOLCDFICSA-N 1 1 307.354 -1.051 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001354617675 918185074 /nfs/dbraw/zinc/18/50/74/918185074.db2.gz NFXNEZAOXADQLM-MWLCHTKSSA-N 1 1 307.354 -1.051 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@H]1CCNC1=O ZINC001355614982 918206983 /nfs/dbraw/zinc/20/69/83/918206983.db2.gz RFFQIEZJAMUWQW-NSHDSACASA-N 1 1 307.354 -1.098 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@@H]1CCNC1=O ZINC001355614981 918207945 /nfs/dbraw/zinc/20/79/45/918207945.db2.gz RFFQIEZJAMUWQW-LLVKDONJSA-N 1 1 307.354 -1.098 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001356629851 918232775 /nfs/dbraw/zinc/23/27/75/918232775.db2.gz SRCHHTXNFYTQLD-AWEZNQCLSA-N 1 1 312.462 -1.046 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001356718284 918237090 /nfs/dbraw/zinc/23/70/90/918237090.db2.gz KQDZELBRLAWLLC-NSHDSACASA-N 1 1 307.354 -1.016 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001356794843 918249665 /nfs/dbraw/zinc/24/96/65/918249665.db2.gz PPZGNSZRYQAKRI-UHFFFAOYSA-N 1 1 310.358 -1.748 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001356830669 918254737 /nfs/dbraw/zinc/25/47/37/918254737.db2.gz DPORHCDUWAEENI-NSHDSACASA-N 1 1 308.382 -1.222 20 0 DAADMO CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001356903373 918260415 /nfs/dbraw/zinc/26/04/15/918260415.db2.gz DJEKEHGNXVSIJV-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357398702 918283272 /nfs/dbraw/zinc/28/32/72/918283272.db2.gz CZCAFLVMOOVKRQ-VHSXEESVSA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001357399294 918285085 /nfs/dbraw/zinc/28/50/85/918285085.db2.gz HHSSKZAAAJAGFE-UWVGGRQHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001357449516 918293560 /nfs/dbraw/zinc/29/35/60/918293560.db2.gz IDWSNANJWGFJED-GHMZBOCLSA-N 1 1 314.386 -1.815 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001357672868 918300246 /nfs/dbraw/zinc/30/02/46/918300246.db2.gz QJMKODXJUYQNOO-HMDXOVGESA-N 1 1 307.358 -1.294 20 0 DAADMO Cn1nnc(C(=O)NC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001357672869 918301385 /nfs/dbraw/zinc/30/13/85/918301385.db2.gz QJMKODXJUYQNOO-UMBAGQNISA-N 1 1 307.358 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697416 918304967 /nfs/dbraw/zinc/30/49/67/918304967.db2.gz VJACFXLYJWSOBU-QVWGBTSJSA-N 1 1 324.381 -1.616 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001357697416 918304981 /nfs/dbraw/zinc/30/49/81/918304981.db2.gz VJACFXLYJWSOBU-QVWGBTSJSA-N 1 1 324.381 -1.616 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCCCC[NH+]1CCNCC1 ZINC001358213103 918316746 /nfs/dbraw/zinc/31/67/46/918316746.db2.gz DXRXOYGYBAGIFP-UHFFFAOYSA-N 1 1 311.430 -1.390 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)NC(=O)C(N)=O ZINC001358538479 918327442 /nfs/dbraw/zinc/32/74/42/918327442.db2.gz QBDVVJQQLUEGHJ-VIFPVBQESA-N 1 1 316.321 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001358635663 918335337 /nfs/dbraw/zinc/33/53/37/918335337.db2.gz KHFQAVZUBWCUJA-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](CO)C(=O)OC)C1 ZINC001361622396 918384420 /nfs/dbraw/zinc/38/44/20/918384420.db2.gz FDEXRZFFOZGPSH-GHMZBOCLSA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CO)C(=O)OC)C1 ZINC001361622396 918384431 /nfs/dbraw/zinc/38/44/31/918384431.db2.gz FDEXRZFFOZGPSH-GHMZBOCLSA-N 1 1 316.354 -1.088 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001361742554 918399615 /nfs/dbraw/zinc/39/96/15/918399615.db2.gz UIALYDYQEDEDIU-WDEREUQCSA-N 1 1 300.359 -1.661 20 0 DAADMO C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001361763052 918401036 /nfs/dbraw/zinc/40/10/36/918401036.db2.gz RRBNIALLAQSLMU-JQWIXIFHSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001361763052 918401045 /nfs/dbraw/zinc/40/10/45/918401045.db2.gz RRBNIALLAQSLMU-JQWIXIFHSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1C[N@H+](C)CCO1 ZINC001361763054 918402609 /nfs/dbraw/zinc/40/26/09/918402609.db2.gz RRBNIALLAQSLMU-ZYHUDNBSSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001361763054 918402615 /nfs/dbraw/zinc/40/26/15/918402615.db2.gz RRBNIALLAQSLMU-ZYHUDNBSSA-N 1 1 320.353 -1.274 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]1(O)CCOC1 ZINC001361830844 918412041 /nfs/dbraw/zinc/41/20/41/918412041.db2.gz QKDBLASQIWBSAX-ZFWWWQNUSA-N 1 1 313.398 -1.340 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2nnc(N)n2)CC1 ZINC001361825906 918413088 /nfs/dbraw/zinc/41/30/88/918413088.db2.gz FIZNLDFICHATEA-UHFFFAOYSA-N 1 1 324.389 -1.638 20 0 DAADMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001361836040 918415385 /nfs/dbraw/zinc/41/53/85/918415385.db2.gz ZHBKNLYVCXWCHN-CYZMBNFOSA-N 1 1 308.386 -1.051 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001361836040 918415394 /nfs/dbraw/zinc/41/53/94/918415394.db2.gz ZHBKNLYVCXWCHN-CYZMBNFOSA-N 1 1 308.386 -1.051 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001361862104 918417861 /nfs/dbraw/zinc/41/78/61/918417861.db2.gz CQYYZZRPUNGALO-UHFFFAOYSA-N 1 1 314.367 -1.260 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001361883177 918419887 /nfs/dbraw/zinc/41/98/87/918419887.db2.gz PMBGWENNEGVXRU-JTQLQIEISA-N 1 1 322.373 -1.804 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCNC(=O)CO)CC1 ZINC001361914590 918424806 /nfs/dbraw/zinc/42/48/06/918424806.db2.gz VDXOPDOGQHSEJO-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@H](C(=O)N1CCC(S(N)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC001361912826 918424864 /nfs/dbraw/zinc/42/48/64/918424864.db2.gz PTSUWRLPQRCJCH-LLVKDONJSA-N 1 1 318.443 -1.098 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C2=C3CCCN=C3NN2)CC1 ZINC001361924073 918426837 /nfs/dbraw/zinc/42/68/37/918426837.db2.gz KFUPRGWTWGXQBF-UHFFFAOYSA-N 1 1 320.397 -1.179 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001361942482 918431490 /nfs/dbraw/zinc/43/14/90/918431490.db2.gz SSFXAVRJNSGURN-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001361937612 918431693 /nfs/dbraw/zinc/43/16/93/918431693.db2.gz QROKJVHWZWHCEN-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001361962984 918433648 /nfs/dbraw/zinc/43/36/48/918433648.db2.gz TXFXCSGMBDXGBN-CHWSQXEVSA-N 1 1 311.386 -1.788 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001361962987 918433890 /nfs/dbraw/zinc/43/38/90/918433890.db2.gz TXFXCSGMBDXGBN-OLZOCXBDSA-N 1 1 311.386 -1.788 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362028752 918442167 /nfs/dbraw/zinc/44/21/67/918442167.db2.gz IBDPGLTYMQZDNO-SECBINFHSA-N 1 1 301.347 -2.658 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001362041754 918444147 /nfs/dbraw/zinc/44/41/47/918444147.db2.gz UNAOPRKKNBVABM-BXKDBHETSA-N 1 1 305.400 -1.279 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2nnc(N)n2)CC1 ZINC001362041069 918444806 /nfs/dbraw/zinc/44/48/06/918444806.db2.gz OFGNJZXSNCZXDA-LLVKDONJSA-N 1 1 310.406 -1.355 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2nnc(N)n2)CC1 ZINC001362041104 918445235 /nfs/dbraw/zinc/44/52/35/918445235.db2.gz OFGNJZXSNCZXDA-NSHDSACASA-N 1 1 310.406 -1.355 20 0 DAADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362066053 918451274 /nfs/dbraw/zinc/45/12/74/918451274.db2.gz LWERQZZZXTXAAO-UWVGGRQHSA-N 1 1 316.358 -1.889 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNC(=O)CO)CC1 ZINC001362088227 918455367 /nfs/dbraw/zinc/45/53/67/918455367.db2.gz IIGPKYVSVAFJMF-UHFFFAOYSA-N 1 1 300.359 -2.235 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001362086235 918456051 /nfs/dbraw/zinc/45/60/51/918456051.db2.gz IKIXKWMUMAHIKN-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001362086235 918456056 /nfs/dbraw/zinc/45/60/56/918456056.db2.gz IKIXKWMUMAHIKN-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001362098731 918457764 /nfs/dbraw/zinc/45/77/64/918457764.db2.gz IYGOVPYRRUPKEL-LLVKDONJSA-N 1 1 321.385 -1.199 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C2(NC(N)=O)CC2)CC1 ZINC001362115434 918460187 /nfs/dbraw/zinc/46/01/87/918460187.db2.gz BIFFQACWVRRZRQ-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001362137561 918463552 /nfs/dbraw/zinc/46/35/52/918463552.db2.gz IVBLCSUPGXYNON-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1C[N@@H+](C)CCN1C ZINC001362128981 918464492 /nfs/dbraw/zinc/46/44/92/918464492.db2.gz OVFUURZFLIQZHE-HTQZYQBOSA-N 1 1 310.358 -1.166 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001362132780 918464883 /nfs/dbraw/zinc/46/48/83/918464883.db2.gz GKCDHQAUONQPKE-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001362145450 918466173 /nfs/dbraw/zinc/46/61/73/918466173.db2.gz IJJZMTAZSRQCJH-NSHDSACASA-N 1 1 306.432 -1.370 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138197 918466895 /nfs/dbraw/zinc/46/68/95/918466895.db2.gz KDQHNSPZEZGSDY-JTQLQIEISA-N 1 1 308.390 -1.460 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138197 918466910 /nfs/dbraw/zinc/46/69/10/918466910.db2.gz KDQHNSPZEZGSDY-JTQLQIEISA-N 1 1 308.390 -1.460 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001362139925 918467095 /nfs/dbraw/zinc/46/70/95/918467095.db2.gz NGTKOLJWULMINX-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001362193886 918474142 /nfs/dbraw/zinc/47/41/42/918474142.db2.gz CKJVMBNYDSZMAW-AXFHLTTASA-N 1 1 317.411 -1.315 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001362189318 918474191 /nfs/dbraw/zinc/47/41/91/918474191.db2.gz MOVZXVXKYSOVFJ-NSHDSACASA-N 1 1 301.391 -1.889 20 0 DAADMO C[NH+](C)CCN(C(=O)Cn1ncnn1)[C@H]1CCS(=O)(=O)C1 ZINC001362204300 918476151 /nfs/dbraw/zinc/47/61/51/918476151.db2.gz LRMVMCJPFDLDRR-JTQLQIEISA-N 1 1 316.387 -1.750 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001362233133 918483821 /nfs/dbraw/zinc/48/38/21/918483821.db2.gz DXOCRZHRNUGRGB-MXWKQRLJSA-N 1 1 321.385 -1.081 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cnc(N)n2)[C@@H](C)C1 ZINC001362296973 918494536 /nfs/dbraw/zinc/49/45/36/918494536.db2.gz ROPRGUXGTQBMMZ-JTQLQIEISA-N 1 1 310.358 -1.044 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cnc(N)n2)[C@@H](C)C1 ZINC001362296973 918494548 /nfs/dbraw/zinc/49/45/48/918494548.db2.gz ROPRGUXGTQBMMZ-JTQLQIEISA-N 1 1 310.358 -1.044 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cnc(N)n2)[C@H](C)C1 ZINC001362296975 918494667 /nfs/dbraw/zinc/49/46/67/918494667.db2.gz ROPRGUXGTQBMMZ-SNVBAGLBSA-N 1 1 310.358 -1.044 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cnc(N)n2)[C@H](C)C1 ZINC001362296975 918494682 /nfs/dbraw/zinc/49/46/82/918494682.db2.gz ROPRGUXGTQBMMZ-SNVBAGLBSA-N 1 1 310.358 -1.044 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001362319649 918497441 /nfs/dbraw/zinc/49/74/41/918497441.db2.gz NKRHRICNGHGAQK-ZDUSSCGKSA-N 1 1 302.396 -1.006 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)C(N)=O ZINC001362381330 918511328 /nfs/dbraw/zinc/51/13/28/918511328.db2.gz YTGZIMSCZHTIOO-ONGXEEELSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)C(N)=O ZINC001362381330 918511339 /nfs/dbraw/zinc/51/13/39/918511339.db2.gz YTGZIMSCZHTIOO-ONGXEEELSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001362382902 918512015 /nfs/dbraw/zinc/51/20/15/918512015.db2.gz FEDUWWAYDXLJKI-VWYCJHECSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001362382895 918512163 /nfs/dbraw/zinc/51/21/63/918512163.db2.gz FEDUWWAYDXLJKI-OUAUKWLOSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001362445210 918520921 /nfs/dbraw/zinc/52/09/21/918520921.db2.gz KZJKGUFQGNDPNG-BXKDBHETSA-N 1 1 311.346 -2.639 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)nn1 ZINC001362456511 918525816 /nfs/dbraw/zinc/52/58/16/918525816.db2.gz CVMBXUXPMZSTIW-YGRLFVJLSA-N 1 1 323.353 -1.097 20 0 DAADMO COCCn1nc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1=O ZINC001362489190 918531931 /nfs/dbraw/zinc/53/19/31/918531931.db2.gz LOJAQGPAJBEFBS-CQSZACIVSA-N 1 1 310.354 -1.314 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)C1 ZINC001362561454 918549521 /nfs/dbraw/zinc/54/95/21/918549521.db2.gz MBVYEVHRVNRQLU-ZDUSSCGKSA-N 1 1 324.385 -1.144 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)C1 ZINC001362561454 918549537 /nfs/dbraw/zinc/54/95/37/918549537.db2.gz MBVYEVHRVNRQLU-ZDUSSCGKSA-N 1 1 324.385 -1.144 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)[C@@H](C)C[N@H+]1CCO ZINC001362569544 918551830 /nfs/dbraw/zinc/55/18/30/918551830.db2.gz PVZZZPUTXBTYBV-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1ncn(C)c1=O ZINC001362569548 918552145 /nfs/dbraw/zinc/55/21/45/918552145.db2.gz PVZZZPUTXBTYBV-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC001362573279 918552222 /nfs/dbraw/zinc/55/22/22/918552222.db2.gz LKQNABRJAOIHLH-PHIMTYICSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C(N)=O ZINC001362570787 918552697 /nfs/dbraw/zinc/55/26/97/918552697.db2.gz VZJDUQRAEZMUML-UMNHJUIQSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001362589396 918554583 /nfs/dbraw/zinc/55/45/83/918554583.db2.gz ZAWCBIYSQRHNMT-WAAKLRNESA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)[NH+]1CC(NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC001362629783 918565470 /nfs/dbraw/zinc/56/54/70/918565470.db2.gz SKVMZKUQNSVDMS-UHFFFAOYSA-N 1 1 301.372 -1.261 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NCC[N@H+]1CCCOCC1 ZINC001362652500 918569630 /nfs/dbraw/zinc/56/96/30/918569630.db2.gz LPNGLIXVYAXIDV-UHFFFAOYSA-N 1 1 320.353 -1.271 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001362696945 918579121 /nfs/dbraw/zinc/57/91/21/918579121.db2.gz XTQIFPYADFLZPK-AXFHLTTASA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001362696945 918579130 /nfs/dbraw/zinc/57/91/30/918579130.db2.gz XTQIFPYADFLZPK-AXFHLTTASA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CC[NH+](C)CC1 ZINC001362696325 918580206 /nfs/dbraw/zinc/58/02/06/918580206.db2.gz URVHGMQSLYKXJF-YPMHNXCESA-N 1 1 319.427 -1.712 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001362715962 918587736 /nfs/dbraw/zinc/58/77/36/918587736.db2.gz YGOOUVSUQALMIL-JTQLQIEISA-N 1 1 306.388 -1.899 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001362715962 918587748 /nfs/dbraw/zinc/58/77/48/918587748.db2.gz YGOOUVSUQALMIL-JTQLQIEISA-N 1 1 306.388 -1.899 20 0 DAADMO COCC(COC)[NH+]1CCN(C(=O)CCNC(N)=O)CC1 ZINC001362742914 918594445 /nfs/dbraw/zinc/59/44/45/918594445.db2.gz YODOWKJNIGIQJD-UHFFFAOYSA-N 1 1 302.375 -1.150 20 0 DAADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1nnc(N)n1 ZINC001362761930 918597918 /nfs/dbraw/zinc/59/79/18/918597918.db2.gz UMWWEWKNFBUNLG-JTQLQIEISA-N 1 1 309.374 -1.033 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362772195 918600575 /nfs/dbraw/zinc/60/05/75/918600575.db2.gz GTXZMSATHUAABR-IINYFYTJSA-N 1 1 311.338 -1.135 20 0 DAADMO Cn1cc(C2=NO[C@@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)C2)cn1 ZINC001362773289 918601383 /nfs/dbraw/zinc/60/13/83/918601383.db2.gz IYLGOZFDTYSDIT-TZMCWYRMSA-N 1 1 323.353 -1.620 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362773269 918601706 /nfs/dbraw/zinc/60/17/06/918601706.db2.gz IWULECJFTJYTRF-JQWIXIFHSA-N 1 1 306.384 -1.579 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362772194 918601807 /nfs/dbraw/zinc/60/18/07/918601807.db2.gz GTXZMSATHUAABR-HZMBPMFUSA-N 1 1 311.338 -1.135 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@]2(CO)COCC[NH2+]2)c1=O ZINC001362780008 918604230 /nfs/dbraw/zinc/60/42/30/918604230.db2.gz XOTKKDQPBUSRMV-ZDUSSCGKSA-N 1 1 312.326 -2.986 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2c([nH]c1=O)CCOC2 ZINC001362776133 918604541 /nfs/dbraw/zinc/60/45/41/918604541.db2.gz OSOYJJNQZGWEFH-OAHLLOKOSA-N 1 1 323.349 -1.059 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@@H+](C)C1 ZINC001362786966 918607760 /nfs/dbraw/zinc/60/77/60/918607760.db2.gz LOJMDXDWKJKKMP-IUCAKERBSA-N 1 1 302.331 -2.421 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1cc([C@@H](C)O)nn1 ZINC001362810543 918614327 /nfs/dbraw/zinc/61/43/27/918614327.db2.gz HQSVHGGLJROZGX-SCZZXKLOSA-N 1 1 322.325 -1.045 20 0 DAADMO COC(=O)c1cccn(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1=O ZINC001362823804 918616896 /nfs/dbraw/zinc/61/68/96/918616896.db2.gz FSNIJJUPZLFTAT-HNNXBMFYSA-N 1 1 323.349 -1.182 20 0 DAADMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H](O)C(N)=O)CC1 ZINC001362823929 918617706 /nfs/dbraw/zinc/61/77/06/918617706.db2.gz DJBLRNZAYHNVKL-LLVKDONJSA-N 1 1 309.370 -1.406 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362844509 918623961 /nfs/dbraw/zinc/62/39/61/918623961.db2.gz MMDJKZNWVUXGJV-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362848364 918624030 /nfs/dbraw/zinc/62/40/30/918624030.db2.gz NRJQIWPEJPDOBL-UWVGGRQHSA-N 1 1 305.338 -1.143 20 0 DAADMO Cn1cc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c(=O)[nH]c1=O ZINC001362883029 918635516 /nfs/dbraw/zinc/63/55/16/918635516.db2.gz MQZWWOOBBYFTBT-UHFFFAOYSA-N 1 1 307.354 -1.442 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc(S(N)(=O)=O)cn3)C[C@@H]21 ZINC001362884936 918635689 /nfs/dbraw/zinc/63/56/89/918635689.db2.gz GVNCTRWMLNTZRZ-KOLCDFICSA-N 1 1 313.383 -1.307 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCNS(C)(=O)=O ZINC001362904144 918640184 /nfs/dbraw/zinc/64/01/84/918640184.db2.gz NELZLCWTYTXXKS-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2CC(C3CS(=O)(=O)C3)C2)C1 ZINC001362903161 918641526 /nfs/dbraw/zinc/64/15/26/918641526.db2.gz RHGWWZLMDZPCMG-UHFFFAOYSA-N 1 1 315.439 -1.017 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC(C3CS(=O)(=O)C3)C2)C1 ZINC001362903161 918641534 /nfs/dbraw/zinc/64/15/34/918641534.db2.gz RHGWWZLMDZPCMG-UHFFFAOYSA-N 1 1 315.439 -1.017 20 0 DAADMO O=C(CCc1nn[nH]n1)NCC(=O)NCC[NH+]1CCCCC1 ZINC001362915470 918644006 /nfs/dbraw/zinc/64/40/06/918644006.db2.gz WSNAQUIKFTZKHJ-UHFFFAOYSA-N 1 1 309.374 -1.149 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001362949179 918651290 /nfs/dbraw/zinc/65/12/90/918651290.db2.gz AGPZZZWSJIOLHV-VIFPVBQESA-N 1 1 312.330 -1.960 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001362958929 918654764 /nfs/dbraw/zinc/65/47/64/918654764.db2.gz UBLSXBFYOVXBNT-UHFFFAOYSA-N 1 1 306.326 -1.518 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001362997029 918661996 /nfs/dbraw/zinc/66/19/96/918661996.db2.gz FYHWCMBHWNQSND-UHFFFAOYSA-N 1 1 322.387 -2.395 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001362997029 918662003 /nfs/dbraw/zinc/66/20/03/918662003.db2.gz FYHWCMBHWNQSND-UHFFFAOYSA-N 1 1 322.387 -2.395 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363011688 918666202 /nfs/dbraw/zinc/66/62/02/918666202.db2.gz SZIIDCZFYAKZAR-UHFFFAOYSA-N 1 1 301.328 -2.130 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001363023120 918672045 /nfs/dbraw/zinc/67/20/45/918672045.db2.gz JQNSXBYREMSCQU-JQWIXIFHSA-N 1 1 319.365 -1.340 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)CC2 ZINC001363046672 918676579 /nfs/dbraw/zinc/67/65/79/918676579.db2.gz JQAPOCHOJANIFU-USWWRNFRSA-N 1 1 319.365 -1.201 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001363039182 918676751 /nfs/dbraw/zinc/67/67/51/918676751.db2.gz HRNMIMWZACKBEC-SNVBAGLBSA-N 1 1 316.383 -1.344 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001363039182 918676760 /nfs/dbraw/zinc/67/67/60/918676760.db2.gz HRNMIMWZACKBEC-SNVBAGLBSA-N 1 1 316.383 -1.344 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)CC2 ZINC001363046673 918677419 /nfs/dbraw/zinc/67/74/19/918677419.db2.gz JQAPOCHOJANIFU-YUSALJHKSA-N 1 1 319.365 -1.201 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001363039180 918677436 /nfs/dbraw/zinc/67/74/36/918677436.db2.gz HRNMIMWZACKBEC-JTQLQIEISA-N 1 1 316.383 -1.344 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001363039180 918677444 /nfs/dbraw/zinc/67/74/44/918677444.db2.gz HRNMIMWZACKBEC-JTQLQIEISA-N 1 1 316.383 -1.344 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001363055488 918682454 /nfs/dbraw/zinc/68/24/54/918682454.db2.gz RRLUMUNZEWSYCL-UHFFFAOYSA-N 1 1 319.387 -2.087 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C[N@@H+]1CCO ZINC001363084841 918689726 /nfs/dbraw/zinc/68/97/26/918689726.db2.gz UUYFYZWBFBXXAS-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)C[N@H+]1CCO ZINC001363084841 918689730 /nfs/dbraw/zinc/68/97/30/918689730.db2.gz UUYFYZWBFBXXAS-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001363103263 918692992 /nfs/dbraw/zinc/69/29/92/918692992.db2.gz ZVDYJDIDHUJEER-LBPRGKRZSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001363103262 918693161 /nfs/dbraw/zinc/69/31/61/918693161.db2.gz ZVDYJDIDHUJEER-GFCCVEGCSA-N 1 1 324.381 -1.014 20 0 DAADMO C[NH+]1CCN(CC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 ZINC001363114033 918697174 /nfs/dbraw/zinc/69/71/74/918697174.db2.gz UEOLBOREXYNGBE-UHFFFAOYSA-N 1 1 317.371 -1.200 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)C2 ZINC001363122236 918698357 /nfs/dbraw/zinc/69/83/57/918698357.db2.gz MAGMTRUPZNJPIL-DLOVCJGASA-N 1 1 319.365 -1.201 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001363118124 918699501 /nfs/dbraw/zinc/69/95/01/918699501.db2.gz LMMYNYLDHDFNPU-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)C2 ZINC001363122238 918700698 /nfs/dbraw/zinc/70/06/98/918700698.db2.gz MAGMTRUPZNJPIL-MVWJERBFSA-N 1 1 319.365 -1.201 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001363170547 918710997 /nfs/dbraw/zinc/71/09/97/918710997.db2.gz JLRADQDJPDUXSM-IUODEOHRSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccnc2[nH]c(=O)[nH]c21 ZINC001363169419 918711696 /nfs/dbraw/zinc/71/16/96/918711696.db2.gz AJPYTUZAVQUPKF-ZDUSSCGKSA-N 1 1 307.310 -1.256 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001363172785 918712618 /nfs/dbraw/zinc/71/26/18/918712618.db2.gz YTHAITWTJHCDIV-SMDDNHRTSA-N 1 1 321.385 -1.220 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363175404 918713840 /nfs/dbraw/zinc/71/38/40/918713840.db2.gz NKNGYHHDNNJTKH-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO C[C@H](C(=O)NC1CCN(CC(N)=O)CC1)N1CC[NH+](C)CC1 ZINC001363182085 918715100 /nfs/dbraw/zinc/71/51/00/918715100.db2.gz XFZXTIPUWDTLTI-GFCCVEGCSA-N 1 1 311.430 -1.312 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001363201593 918719966 /nfs/dbraw/zinc/71/99/66/918719966.db2.gz ANVTUBYWXFKLNH-IUCAKERBSA-N 1 1 320.371 -2.731 20 0 DAADMO CN(C[C@@H](O)C[NH+]1CCN(CC(N)=O)CC1)CC(F)(F)F ZINC001363218898 918726356 /nfs/dbraw/zinc/72/63/56/918726356.db2.gz WTRJVLCSQGWHSU-SNVBAGLBSA-N 1 1 312.336 -1.056 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001363248420 918733313 /nfs/dbraw/zinc/73/33/13/918733313.db2.gz JYPQZODNIMLHEN-SECBINFHSA-N 1 1 308.342 -1.642 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001363248420 918733326 /nfs/dbraw/zinc/73/33/26/918733326.db2.gz JYPQZODNIMLHEN-SECBINFHSA-N 1 1 308.342 -1.642 20 0 DAADMO COC[C@]1(CO)CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363248221 918734113 /nfs/dbraw/zinc/73/41/13/918734113.db2.gz YQCLJZZJYLEPNS-CYBMUJFWSA-N 1 1 308.342 -1.169 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)NC[C@@]2(CO)COCC[NH2+]2)O1 ZINC001363264651 918738662 /nfs/dbraw/zinc/73/86/62/918738662.db2.gz CBCXLXMQHSJPEK-UHIISALHSA-N 1 1 315.370 -1.733 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)NC[C@]2(CO)COCC[NH2+]2)O1 ZINC001363264648 918740457 /nfs/dbraw/zinc/74/04/57/918740457.db2.gz CBCXLXMQHSJPEK-SUNKGSAMSA-N 1 1 315.370 -1.733 20 0 DAADMO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260632 918740794 /nfs/dbraw/zinc/74/07/94/918740794.db2.gz XMKSVQLGHXHCJQ-VHSXEESVSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001363260632 918740800 /nfs/dbraw/zinc/74/08/00/918740800.db2.gz XMKSVQLGHXHCJQ-VHSXEESVSA-N 1 1 324.381 -1.201 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1C(F)(F)F ZINC001363274657 918742544 /nfs/dbraw/zinc/74/25/44/918742544.db2.gz QDXSYEASQCZLGL-JTQLQIEISA-N 1 1 323.275 -1.085 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363274905 918743006 /nfs/dbraw/zinc/74/30/06/918743006.db2.gz SGYSLMZYCXIAJD-ZWNOBZJWSA-N 1 1 302.375 -1.319 20 0 DAADMO O=C(CCNC(=O)c1ccco1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363269129 918743539 /nfs/dbraw/zinc/74/35/39/918743539.db2.gz ICMVEGPRMMIDDF-CQSZACIVSA-N 1 1 311.338 -1.133 20 0 DAADMO C[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)[NH+]1CCSCC1 ZINC001363325846 918759284 /nfs/dbraw/zinc/75/92/84/918759284.db2.gz YULMADOVXCGCDN-LPEHRKFASA-N 1 1 314.411 -1.531 20 0 DAADMO C[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)[NH+]1CCSCC1 ZINC001363325869 918762684 /nfs/dbraw/zinc/76/26/84/918762684.db2.gz YULMADOVXCGCDN-UTLUCORTSA-N 1 1 314.411 -1.531 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001363359305 918767017 /nfs/dbraw/zinc/76/70/17/918767017.db2.gz AZZIMIJSNKINJY-SNVBAGLBSA-N 1 1 316.387 -1.723 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1=O ZINC001363372074 918769664 /nfs/dbraw/zinc/76/96/64/918769664.db2.gz XZNXNKDROCEOSK-QWHCGFSZSA-N 1 1 310.398 -1.572 20 0 DAADMO NC(=O)COc1cccc(C[NH2+]Cc2cn(CC(N)=O)nn2)c1 ZINC001363371657 918770951 /nfs/dbraw/zinc/77/09/51/918770951.db2.gz QQRCQXXVTRJEAW-UHFFFAOYSA-N 1 1 318.337 -1.083 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001363389513 918771992 /nfs/dbraw/zinc/77/19/92/918771992.db2.gz AZYCCFJSIMXSPE-GHMZBOCLSA-N 1 1 324.381 -1.389 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC001363404787 918777145 /nfs/dbraw/zinc/77/71/45/918777145.db2.gz WMHKRWHDVOGZBO-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO Cc1cnc(S(C)(=O)=O)nc1C(=O)NCC[N@H+](C)CCO ZINC001363404829 918777554 /nfs/dbraw/zinc/77/75/54/918777554.db2.gz XHQAUZJTSSGIHB-UHFFFAOYSA-N 1 1 316.383 -1.158 20 0 DAADMO Cc1cnc(S(C)(=O)=O)nc1C(=O)NCC[N@@H+](C)CCO ZINC001363404829 918777557 /nfs/dbraw/zinc/77/75/57/918777557.db2.gz XHQAUZJTSSGIHB-UHFFFAOYSA-N 1 1 316.383 -1.158 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)c3nccnc3C(N)=O)CC2)C1 ZINC001363405172 918779373 /nfs/dbraw/zinc/77/93/73/918779373.db2.gz PFGCUMDFSREZOM-UHFFFAOYSA-N 1 1 304.354 -1.353 20 0 DAADMO Cn1ccn2c(CCNC(=O)[C@H]3C[N@H+](C)CCO3)nnc2c1=O ZINC001363432671 918785142 /nfs/dbraw/zinc/78/51/42/918785142.db2.gz ZRCRTWWBYXLXMI-SNVBAGLBSA-N 1 1 320.353 -1.583 20 0 DAADMO Cn1ccn2c(CCNC(=O)[C@H]3C[N@@H+](C)CCO3)nnc2c1=O ZINC001363432671 918785156 /nfs/dbraw/zinc/78/51/56/918785156.db2.gz ZRCRTWWBYXLXMI-SNVBAGLBSA-N 1 1 320.353 -1.583 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1nnc2n1CCNC2=O ZINC001363492956 918801497 /nfs/dbraw/zinc/80/14/97/918801497.db2.gz LIBFIKYLLZGOIT-LKFCYVNXSA-N 1 1 322.369 -1.865 20 0 DAADMO Cc1cn2nnc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2c(=O)[nH]1 ZINC001363508155 918806364 /nfs/dbraw/zinc/80/63/64/918806364.db2.gz QIFAKZDGAWBZAR-SECBINFHSA-N 1 1 306.326 -1.065 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1CO ZINC001363506894 918807208 /nfs/dbraw/zinc/80/72/08/918807208.db2.gz BYDKIGZNRDDAAN-JTQLQIEISA-N 1 1 306.326 -1.974 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@H]1CO ZINC001363506894 918807219 /nfs/dbraw/zinc/80/72/19/918807219.db2.gz BYDKIGZNRDDAAN-JTQLQIEISA-N 1 1 306.326 -1.974 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363523980 918812123 /nfs/dbraw/zinc/81/21/23/918812123.db2.gz GDBUZKAFNSVGRN-MFKMUULPSA-N 1 1 300.359 -1.756 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001363522872 918812500 /nfs/dbraw/zinc/81/25/00/918812500.db2.gz CPOJZLBIZCDKOV-LBPRGKRZSA-N 1 1 306.384 -1.722 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001363523976 918812918 /nfs/dbraw/zinc/81/29/18/918812918.db2.gz GDBUZKAFNSVGRN-GWCFXTLKSA-N 1 1 300.359 -1.756 20 0 DAADMO Cn1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c(=O)[nH]c1=O ZINC001363517647 918813652 /nfs/dbraw/zinc/81/36/52/918813652.db2.gz MUVRLWSUYGOEAS-GHMZBOCLSA-N 1 1 310.354 -1.053 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001363522609 918813746 /nfs/dbraw/zinc/81/37/46/918813746.db2.gz AIBKMMDVBRBQQA-BXKDBHETSA-N 1 1 307.416 -1.128 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCC[C@@H]2O ZINC001363525528 918815078 /nfs/dbraw/zinc/81/50/78/918815078.db2.gz MGHOCUWLWJSEIJ-JSGCOSHPSA-N 1 1 310.354 -1.209 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363525562 918816049 /nfs/dbraw/zinc/81/60/49/918816049.db2.gz NLDARCZBWFHDPM-ONGXEEELSA-N 1 1 309.388 -2.219 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363525561 918816636 /nfs/dbraw/zinc/81/66/36/918816636.db2.gz NLDARCZBWFHDPM-MWLCHTKSSA-N 1 1 309.388 -2.219 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCC[C@@H]2O ZINC001363525527 918817195 /nfs/dbraw/zinc/81/71/95/918817195.db2.gz MGHOCUWLWJSEIJ-GXTWGEPZSA-N 1 1 310.354 -1.209 20 0 DAADMO NC(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC001363529516 918818924 /nfs/dbraw/zinc/81/89/24/918818924.db2.gz VBXKXQVZVUHMDH-CQSZACIVSA-N 1 1 308.338 -1.810 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)nc1 ZINC001363531738 918819264 /nfs/dbraw/zinc/81/92/64/918819264.db2.gz YNDKTBYFIJJTNN-CQSZACIVSA-N 1 1 309.322 -1.051 20 0 DAADMO Cc1cc(O)cc(=O)n1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363530694 918819595 /nfs/dbraw/zinc/81/95/95/918819595.db2.gz WGEGWSJTBFDZNF-CQSZACIVSA-N 1 1 311.338 -1.671 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(=O)[nH]c1=O ZINC001363542810 918825605 /nfs/dbraw/zinc/82/56/05/918825605.db2.gz XFWGKAYFGWHAFM-VHSXEESVSA-N 1 1 308.338 -1.233 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001363553447 918828181 /nfs/dbraw/zinc/82/81/81/918828181.db2.gz CEGHAIQJLRRYTF-UMSGYPCISA-N 1 1 314.382 -1.639 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001363567873 918830087 /nfs/dbraw/zinc/83/00/87/918830087.db2.gz DDQPHWXXTYTXCV-SECBINFHSA-N 1 1 307.358 -1.276 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001363567873 918830103 /nfs/dbraw/zinc/83/01/03/918830103.db2.gz DDQPHWXXTYTXCV-SECBINFHSA-N 1 1 307.358 -1.276 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001363565096 918830634 /nfs/dbraw/zinc/83/06/34/918830634.db2.gz CCRQJFUZHVEXJF-NSHDSACASA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001363568358 918831029 /nfs/dbraw/zinc/83/10/29/918831029.db2.gz DDQPHWXXTYTXCV-VIFPVBQESA-N 1 1 307.358 -1.276 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC001363568358 918831037 /nfs/dbraw/zinc/83/10/37/918831037.db2.gz DDQPHWXXTYTXCV-VIFPVBQESA-N 1 1 307.358 -1.276 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCc1nnc2n1CCNC2=O ZINC001363589396 918834891 /nfs/dbraw/zinc/83/48/91/918834891.db2.gz FMLMNLITOSNIGD-UHFFFAOYSA-N 1 1 322.369 -1.598 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001363586099 918836352 /nfs/dbraw/zinc/83/63/52/918836352.db2.gz YBRAKERRGFPBQJ-UHFFFAOYSA-N 1 1 301.368 -1.012 20 0 DAADMO CS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)o1 ZINC001363592851 918837914 /nfs/dbraw/zinc/83/79/14/918837914.db2.gz AZECERQGZYPHNA-LBPRGKRZSA-N 1 1 318.351 -1.236 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363595373 918838758 /nfs/dbraw/zinc/83/87/58/918838758.db2.gz GZLOTRPTIRFOMZ-GFCCVEGCSA-N 1 1 323.415 -1.829 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1C ZINC001363608408 918841588 /nfs/dbraw/zinc/84/15/88/918841588.db2.gz XWSRVVQCPWZCDW-CQSZACIVSA-N 1 1 310.354 -1.522 20 0 DAADMO O=C(CS(=O)(=O)C1CCCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363609632 918841705 /nfs/dbraw/zinc/84/17/05/918841705.db2.gz ZYFVZUZVGQWGHZ-CYBMUJFWSA-N 1 1 320.411 -1.189 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601106 918842208 /nfs/dbraw/zinc/84/22/08/918842208.db2.gz MANUCAFCOFPPPM-OQPBUACISA-N 1 1 306.326 -1.511 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601106 918842213 /nfs/dbraw/zinc/84/22/13/918842213.db2.gz MANUCAFCOFPPPM-OQPBUACISA-N 1 1 306.326 -1.511 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001363602603 918842506 /nfs/dbraw/zinc/84/25/06/918842506.db2.gz AXONINSCJVRHDM-GHMZBOCLSA-N 1 1 302.400 -1.311 20 0 DAADMO Cn1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001363693735 918857861 /nfs/dbraw/zinc/85/78/61/918857861.db2.gz UYJCLEFUNQPSEM-UHFFFAOYSA-N 1 1 309.326 -2.010 20 0 DAADMO C[C@](Cn1cccn1)(NC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001363681947 918858471 /nfs/dbraw/zinc/85/84/71/918858471.db2.gz MZBANCNUJCAMLG-CQSZACIVSA-N 1 1 309.370 -1.034 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363694832 918859669 /nfs/dbraw/zinc/85/96/69/918859669.db2.gz TWZZQZCGZJZMTR-OPQQBVKSSA-N 1 1 316.358 -2.643 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001363724542 918867418 /nfs/dbraw/zinc/86/74/18/918867418.db2.gz VLDWKYLEJUNOBT-GARJFASQSA-N 1 1 323.357 -2.545 20 0 DAADMO Cc1cn2nnc(C(=O)N3CC([NH2+]C4COC4)C3)c2c(=O)[nH]1 ZINC001363770013 918873025 /nfs/dbraw/zinc/87/30/25/918873025.db2.gz QXFJOTYBFWAKLP-UHFFFAOYSA-N 1 1 304.310 -1.049 20 0 DAADMO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC([NH2+]C2COC2)C1 ZINC001363766440 918874265 /nfs/dbraw/zinc/87/42/65/918874265.db2.gz HZXFUJLGTGVEKY-VIFPVBQESA-N 1 1 305.338 -1.038 20 0 DAADMO Cn1c[nH+]cc1CCN1CCN(CCS(N)(=O)=O)CC1 ZINC001363778097 918876298 /nfs/dbraw/zinc/87/62/98/918876298.db2.gz BQKVHEZKDSTSIF-UHFFFAOYSA-N 1 1 301.416 -1.131 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001363775908 918878180 /nfs/dbraw/zinc/87/81/80/918878180.db2.gz STGIFZJZHNMCPI-WFASDCNBSA-N 1 1 315.414 -1.230 20 0 DAADMO C[C@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(=O)N(C)C ZINC001363791252 918879505 /nfs/dbraw/zinc/87/95/05/918879505.db2.gz QCQPPJHWEMZYDT-XQQFMLRXSA-N 1 1 314.430 -1.034 20 0 DAADMO O=C1CO[C@@H]2CC[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@H]2N1 ZINC001363797234 918881711 /nfs/dbraw/zinc/88/17/11/918881711.db2.gz OLWHNTRMOKTXRJ-FMCLSXCISA-N 1 1 300.355 -1.522 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC001363797435 918882022 /nfs/dbraw/zinc/88/20/22/918882022.db2.gz ASSXVGVOJNSRCB-SECBINFHSA-N 1 1 314.342 -1.285 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363802586 918884524 /nfs/dbraw/zinc/88/45/24/918884524.db2.gz ALNRDPFEZGJVTH-GYSYKLTISA-N 1 1 321.385 -1.412 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC001363817741 918886819 /nfs/dbraw/zinc/88/68/19/918886819.db2.gz LVNAGMYMTAQDGM-NSHDSACASA-N 1 1 307.416 -1.136 20 0 DAADMO NC(=O)C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C1CCOCC1 ZINC001363820825 918886963 /nfs/dbraw/zinc/88/69/63/918886963.db2.gz WHPFATRSEZSFOZ-GFCCVEGCSA-N 1 1 302.371 -1.145 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363821463 918887458 /nfs/dbraw/zinc/88/74/58/918887458.db2.gz WXUKKAVRKGFEHU-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)C(N)=O ZINC001363814962 918887685 /nfs/dbraw/zinc/88/76/85/918887685.db2.gz LFCGKHIJCZVZDP-TUAOUCFPSA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C[N@@H+](C[C@H](O)C1(O)CCOCC1)C1CCOCC1 ZINC001363820829 918888081 /nfs/dbraw/zinc/88/80/81/918888081.db2.gz WHPFATRSEZSFOZ-LBPRGKRZSA-N 1 1 302.371 -1.145 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363813257 918889075 /nfs/dbraw/zinc/88/90/75/918889075.db2.gz JGHSPKMCAVGMCZ-MJBXVCDLSA-N 1 1 324.381 -1.483 20 0 DAADMO CC(C)(CNS(N)(=O)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001363833391 918890116 /nfs/dbraw/zinc/89/01/16/918890116.db2.gz SQSFHPMOPHOKCP-UHFFFAOYSA-N 1 1 308.404 -1.603 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC001363824400 918890259 /nfs/dbraw/zinc/89/02/59/918890259.db2.gz IZDXBANCMMQZRV-RYUDHWBXSA-N 1 1 322.427 -1.240 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001363824395 918891910 /nfs/dbraw/zinc/89/19/10/918891910.db2.gz IZDXBANCMMQZRV-NWDGAFQWSA-N 1 1 322.427 -1.240 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001363848066 918893403 /nfs/dbraw/zinc/89/34/03/918893403.db2.gz MTCQUTPADGGELP-GHMZBOCLSA-N 1 1 320.415 -1.902 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001363848074 918894680 /nfs/dbraw/zinc/89/46/80/918894680.db2.gz MTCQUTPADGGELP-QWRGUYRKSA-N 1 1 320.415 -1.902 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC001363857337 918896293 /nfs/dbraw/zinc/89/62/93/918896293.db2.gz HLPNMOJRMCNOCM-SFHVURJKSA-N 1 1 316.449 -1.291 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC001363857330 918897628 /nfs/dbraw/zinc/89/76/28/918897628.db2.gz HLPNMOJRMCNOCM-GOSISDBHSA-N 1 1 316.449 -1.291 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001363977546 918920033 /nfs/dbraw/zinc/92/00/33/918920033.db2.gz QXDJGGYZAHTCQZ-UHFFFAOYSA-N 1 1 307.376 -3.070 20 0 DAADMO COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n[nH]1 ZINC001363976965 918920374 /nfs/dbraw/zinc/92/03/74/918920374.db2.gz KNWQEPIGCWTCPR-NSHDSACASA-N 1 1 318.355 -1.459 20 0 DAADMO CN1CCN(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363982583 918920602 /nfs/dbraw/zinc/92/06/02/918920602.db2.gz RMFJMGHQUXPHJM-ZDUSSCGKSA-N 1 1 320.459 -1.085 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC001363981203 918920784 /nfs/dbraw/zinc/92/07/84/918920784.db2.gz KNDAUDBMWALJBZ-ZDUSSCGKSA-N 1 1 320.459 -1.085 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC3(C2)C[C@H](O)CNC3=O)CC1 ZINC001364037894 918934408 /nfs/dbraw/zinc/93/44/08/918934408.db2.gz XBNGOPNSWWJGQT-JTQLQIEISA-N 1 1 317.411 -1.407 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364035928 918935207 /nfs/dbraw/zinc/93/52/07/918935207.db2.gz CUZBFIUEIPEJTD-MRVPVSSYSA-N 1 1 302.356 -1.142 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001364035928 918935218 /nfs/dbraw/zinc/93/52/18/918935218.db2.gz CUZBFIUEIPEJTD-MRVPVSSYSA-N 1 1 302.356 -1.142 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001364058549 918941076 /nfs/dbraw/zinc/94/10/76/918941076.db2.gz SXRPIMYOKNVCKC-JTQLQIEISA-N 1 1 305.375 -1.088 20 0 DAADMO Nc1ncc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cn1 ZINC001364069358 918943176 /nfs/dbraw/zinc/94/31/76/918943176.db2.gz LPXPNJSMFSPFFF-VHSXEESVSA-N 1 1 313.383 -1.112 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001364208766 918964769 /nfs/dbraw/zinc/96/47/69/918964769.db2.gz XHJAPSUQHMRTME-UHFFFAOYSA-N 1 1 315.374 -2.096 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364211111 918964816 /nfs/dbraw/zinc/96/48/16/918964816.db2.gz JNUGUZDMNSRYET-UWVGGRQHSA-N 1 1 312.374 -1.838 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364210918 918965464 /nfs/dbraw/zinc/96/54/64/918965464.db2.gz JNUGUZDMNSRYET-NXEZZACHSA-N 1 1 312.374 -1.838 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)O1 ZINC001364230692 918968629 /nfs/dbraw/zinc/96/86/29/918968629.db2.gz ASMZNSUBIGSGEI-MXWKQRLJSA-N 1 1 300.359 -1.615 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001364250643 918974855 /nfs/dbraw/zinc/97/48/55/918974855.db2.gz YOCSICHGIJPSSW-NSHDSACASA-N 1 1 320.415 -1.509 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(S(N)(=O)=O)CC2)C1 ZINC001364250643 918974871 /nfs/dbraw/zinc/97/48/71/918974871.db2.gz YOCSICHGIJPSSW-NSHDSACASA-N 1 1 320.415 -1.509 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364267324 918976847 /nfs/dbraw/zinc/97/68/47/918976847.db2.gz QZCFXLSXEKQLRR-VHSXEESVSA-N 1 1 313.358 -1.675 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364267324 918976856 /nfs/dbraw/zinc/97/68/56/918976856.db2.gz QZCFXLSXEKQLRR-VHSXEESVSA-N 1 1 313.358 -1.675 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2nc3ncccn3n2)C1 ZINC001364299745 918980621 /nfs/dbraw/zinc/98/06/21/918980621.db2.gz BFPFTXBXZGRWPT-CYBMUJFWSA-N 1 1 305.342 -1.010 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001364338955 918990605 /nfs/dbraw/zinc/99/06/05/918990605.db2.gz KUIZZGIVEIUZBU-CYBMUJFWSA-N 1 1 321.341 -1.717 20 0 DAADMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3[n-]c(N)nc3n2)C1 ZINC001364345022 918993403 /nfs/dbraw/zinc/99/34/03/918993403.db2.gz KPPIKZTWMQCVOZ-QMMMGPOBSA-N 1 1 305.342 -1.042 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001364340378 918994084 /nfs/dbraw/zinc/99/40/84/918994084.db2.gz UGLQRHMCPYCOTL-GRYCIOLGSA-N 1 1 315.370 -1.070 20 0 DAADMO CO[C@]1(C(=O)N2CC([NH2+]C3COC3)C2)CCS(=O)(=O)C1 ZINC001364364065 918998090 /nfs/dbraw/zinc/99/80/90/918998090.db2.gz KWHCXIOILJPFNW-GFCCVEGCSA-N 1 1 304.368 -1.611 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001364400702 919005513 /nfs/dbraw/zinc/00/55/13/919005513.db2.gz PJWDWIRUCMEXFK-SNVBAGLBSA-N 1 1 316.383 -1.296 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001364413668 919009572 /nfs/dbraw/zinc/00/95/72/919009572.db2.gz BUQKYAYUTWFMHK-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001364413668 919009585 /nfs/dbraw/zinc/00/95/85/919009585.db2.gz BUQKYAYUTWFMHK-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001364461412 919014155 /nfs/dbraw/zinc/01/41/55/919014155.db2.gz GWHZRXIDSVRXNA-VIFPVBQESA-N 1 1 323.357 -1.115 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2cccnc2OCCO)CC1 ZINC001364459292 919014381 /nfs/dbraw/zinc/01/43/81/919014381.db2.gz LOTDJYJBRFCPNE-UHFFFAOYSA-N 1 1 322.365 -1.044 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)c1nccs1 ZINC001364468900 919014940 /nfs/dbraw/zinc/01/49/40/919014940.db2.gz GYKMWEMPUVWBJN-OCAPTIKFSA-N 1 1 311.367 -1.376 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)c1nccs1 ZINC001364468900 919014958 /nfs/dbraw/zinc/01/49/58/919014958.db2.gz GYKMWEMPUVWBJN-OCAPTIKFSA-N 1 1 311.367 -1.376 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)CC1 ZINC001364460964 919015302 /nfs/dbraw/zinc/01/53/02/919015302.db2.gz VQCXHUPUIPCQMD-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC001364448839 919015497 /nfs/dbraw/zinc/01/54/97/919015497.db2.gz HIHZLICBVWAWAO-CQSZACIVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC001364448839 919015515 /nfs/dbraw/zinc/01/55/15/919015515.db2.gz HIHZLICBVWAWAO-CQSZACIVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471778 919017016 /nfs/dbraw/zinc/01/70/16/919017016.db2.gz NZOOINNKRQJQLQ-SNVBAGLBSA-N 1 1 310.376 -3.151 20 0 DAADMO CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364470136 919019086 /nfs/dbraw/zinc/01/90/86/919019086.db2.gz QFHLMTYBXOVCET-KNVOCYPGSA-N 1 1 310.276 -1.474 20 0 DAADMO CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364470136 919019098 /nfs/dbraw/zinc/01/90/98/919019098.db2.gz QFHLMTYBXOVCET-KNVOCYPGSA-N 1 1 310.276 -1.474 20 0 DAADMO O=C(CNC(=O)N1CCCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471397 919019602 /nfs/dbraw/zinc/01/96/02/919019602.db2.gz KAWHMYFXDLCGTC-ZDUSSCGKSA-N 1 1 300.359 -1.741 20 0 DAADMO COC(=O)[C@@](C)(O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364488456 919022150 /nfs/dbraw/zinc/02/21/50/919022150.db2.gz FMTZAIIITKKAOE-JTQLQIEISA-N 1 1 308.356 -2.067 20 0 DAADMO CO[C@H]1C[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)[C@@](C)(CO)C1 ZINC001364486722 919022231 /nfs/dbraw/zinc/02/22/31/919022231.db2.gz QAHFUDXLQVCCNK-NOZJJQNGSA-N 1 1 308.342 -1.029 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)[C@](C)(CO)C1 ZINC001364486725 919022844 /nfs/dbraw/zinc/02/28/44/919022844.db2.gz QAHFUDXLQVCCNK-ZANVPECISA-N 1 1 308.342 -1.029 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)[C@@](C)(CO)C1 ZINC001364486724 919022981 /nfs/dbraw/zinc/02/29/81/919022981.db2.gz QAHFUDXLQVCCNK-TVQRCGJNSA-N 1 1 308.342 -1.029 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001364503081 919024985 /nfs/dbraw/zinc/02/49/85/919024985.db2.gz IFPZRGNAAWMERR-HBNTYKKESA-N 1 1 318.395 -1.317 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001364522468 919029463 /nfs/dbraw/zinc/02/94/63/919029463.db2.gz SXXTVPLWRKZNPB-NEPJUHHUSA-N 1 1 317.386 -1.759 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001364536333 919030383 /nfs/dbraw/zinc/03/03/83/919030383.db2.gz XWYYVWAFOJRXEX-QWRGUYRKSA-N 1 1 322.431 -2.063 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCC2(S(N)(=O)=O)CC2)C1 ZINC001364543276 919031566 /nfs/dbraw/zinc/03/15/66/919031566.db2.gz KWVXKEJLWNEDJH-JTQLQIEISA-N 1 1 320.415 -1.173 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001364595357 919036801 /nfs/dbraw/zinc/03/68/01/919036801.db2.gz SEOQPRAKVOYSKM-VIFPVBQESA-N 1 1 323.353 -1.352 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCC2(S(N)(=O)=O)CC2)C1 ZINC001364593379 919037334 /nfs/dbraw/zinc/03/73/34/919037334.db2.gz GNRXXAFQDOTGQG-LLVKDONJSA-N 1 1 305.400 -1.230 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1(O)COC1 ZINC001364603070 919040041 /nfs/dbraw/zinc/04/00/41/919040041.db2.gz INHQPAUQPBDAOE-ZDUSSCGKSA-N 1 1 313.398 -1.340 20 0 DAADMO CC(C)(C[NH2+]Cc1cn(CC(N)=O)nn1)CS(C)(=O)=O ZINC001364628196 919041619 /nfs/dbraw/zinc/04/16/19/919041619.db2.gz JMMGIGYHZOARRV-UHFFFAOYSA-N 1 1 303.388 -1.076 20 0 DAADMO C[N@H+]1CCC[C@@H]1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001364660115 919048992 /nfs/dbraw/zinc/04/89/92/919048992.db2.gz YIGKIOVWQGOPSN-HZSPNIEDSA-N 1 1 317.455 -1.144 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)N1CCC2(CC1)OCCO2 ZINC001364721608 919056114 /nfs/dbraw/zinc/05/61/14/919056114.db2.gz MTSGCPAPALPLNE-NEPJUHHUSA-N 1 1 300.355 -1.363 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)N1CCC2(CC1)OCCO2 ZINC001364721638 919057707 /nfs/dbraw/zinc/05/77/07/919057707.db2.gz MTSGCPAPALPLNE-RYUDHWBXSA-N 1 1 300.355 -1.363 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](CCC(=O)NCC(=O)OC)CC1 ZINC001364732396 919059359 /nfs/dbraw/zinc/05/93/59/919059359.db2.gz SRVPHUXPTLMIOT-UHFFFAOYSA-N 1 1 322.387 -2.253 20 0 DAADMO CCN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364755211 919063690 /nfs/dbraw/zinc/06/36/90/919063690.db2.gz KESGWTUMTLHAIM-HTQZYQBOSA-N 1 1 324.303 -1.084 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001364815714 919074112 /nfs/dbraw/zinc/07/41/12/919074112.db2.gz SASDHSXXKYINEQ-SNVBAGLBSA-N 1 1 313.445 -1.122 20 0 DAADMO COC(=O)Cn1cc(CC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)nn1 ZINC001364839561 919078881 /nfs/dbraw/zinc/07/88/81/919078881.db2.gz BBADYXXKQJHYRD-NEPJUHHUSA-N 1 1 312.370 -1.084 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H]1C(=O)OC ZINC001364836149 919079660 /nfs/dbraw/zinc/07/96/60/919079660.db2.gz MOHGDJXYEJMJTN-DTORHVGOSA-N 1 1 308.356 -1.441 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NCC[N@H+](C)CCO ZINC001364916482 919096554 /nfs/dbraw/zinc/09/65/54/919096554.db2.gz MZSGRAWSSPDZPM-QGZVFWFLSA-N 1 1 302.422 -1.681 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NCC[N@@H+](C)CCO ZINC001364916482 919096596 /nfs/dbraw/zinc/09/65/96/919096596.db2.gz MZSGRAWSSPDZPM-QGZVFWFLSA-N 1 1 302.422 -1.681 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC[N@H+](C)CCO ZINC001364916478 919097383 /nfs/dbraw/zinc/09/73/83/919097383.db2.gz MZSGRAWSSPDZPM-KRWDZBQOSA-N 1 1 302.422 -1.681 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NCC[N@@H+](C)CCO ZINC001364916478 919097395 /nfs/dbraw/zinc/09/73/95/919097395.db2.gz MZSGRAWSSPDZPM-KRWDZBQOSA-N 1 1 302.422 -1.681 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001364939875 919103496 /nfs/dbraw/zinc/10/34/96/919103496.db2.gz LTSSJLJGOMTHRD-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001364939875 919103507 /nfs/dbraw/zinc/10/35/07/919103507.db2.gz LTSSJLJGOMTHRD-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO Cn1cc(CN2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001364938347 919103789 /nfs/dbraw/zinc/10/37/89/919103789.db2.gz BZTHWLFBHYEVQH-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1cc(CN2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001364938347 919103800 /nfs/dbraw/zinc/10/38/00/919103800.db2.gz BZTHWLFBHYEVQH-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001364957349 919105713 /nfs/dbraw/zinc/10/57/13/919105713.db2.gz XYKGDONDQCIYPZ-NXEZZACHSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnc(N)nc1)[C@H]1C[N@H+](C)CCN1C ZINC001364952780 919105766 /nfs/dbraw/zinc/10/57/66/919105766.db2.gz OVISUKIKUHWJRL-MWLCHTKSSA-N 1 1 314.415 -1.029 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnc(N)nc1)[C@H]1C[N@@H+](C)CCN1C ZINC001364952780 919105775 /nfs/dbraw/zinc/10/57/75/919105775.db2.gz OVISUKIKUHWJRL-MWLCHTKSSA-N 1 1 314.415 -1.029 20 0 DAADMO O=C(CC[N@@H+]1CC[C@H](F)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001364949994 919106950 /nfs/dbraw/zinc/10/69/50/919106950.db2.gz DNAOUEXOWZDRNJ-WDEREUQCSA-N 1 1 320.390 -1.219 20 0 DAADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@@]1(O)CCOC1 ZINC001364967505 919109493 /nfs/dbraw/zinc/10/94/93/919109493.db2.gz XYRDSJXGUSSLCQ-NSHDSACASA-N 1 1 304.372 -1.221 20 0 DAADMO COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364998960 919115234 /nfs/dbraw/zinc/11/52/34/919115234.db2.gz WOCBGECWMIQTOX-UHTWSYAYSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364998960 919115241 /nfs/dbraw/zinc/11/52/41/919115241.db2.gz WOCBGECWMIQTOX-UHTWSYAYSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364998960 919115257 /nfs/dbraw/zinc/11/52/57/919115257.db2.gz WOCBGECWMIQTOX-UHTWSYAYSA-N 1 1 321.381 -1.002 20 0 DAADMO Cn1nnc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001365077637 919122402 /nfs/dbraw/zinc/12/24/02/919122402.db2.gz KURXQXOUUNQQJP-JOYOIKCWSA-N 1 1 311.346 -1.443 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001365102992 919123945 /nfs/dbraw/zinc/12/39/45/919123945.db2.gz GHEXBLGTAVWUIA-UHFFFAOYSA-N 1 1 313.358 -1.137 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001365098804 919124911 /nfs/dbraw/zinc/12/49/11/919124911.db2.gz DFWZTZCPLSXDLR-VIFPVBQESA-N 1 1 307.358 -1.085 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](CO)[C@H](O)C1)C[NH+]1CCOCC1 ZINC001365108503 919125601 /nfs/dbraw/zinc/12/56/01/919125601.db2.gz CZEBIDPLDFOBST-JHJVBQTASA-N 1 1 301.387 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001365102982 919125960 /nfs/dbraw/zinc/12/59/60/919125960.db2.gz GAMBBAOIKGQRQE-SECBINFHSA-N 1 1 301.347 -1.506 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001365106315 919126055 /nfs/dbraw/zinc/12/60/55/919126055.db2.gz WHZLOBZBGVCLOO-JHJVBQTASA-N 1 1 300.403 -1.383 20 0 DAADMO COCC[NH+]1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC001365170631 919136627 /nfs/dbraw/zinc/13/66/27/919136627.db2.gz QWXUMYIFUFZKMZ-SNVBAGLBSA-N 1 1 313.358 -1.410 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CC2C(=O)N=CNC2=O)CC1 ZINC001365182946 919136892 /nfs/dbraw/zinc/13/68/92/919136892.db2.gz MDFPMFRXACAKQE-UHFFFAOYSA-N 1 1 309.326 -1.680 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001365186297 919138305 /nfs/dbraw/zinc/13/83/05/919138305.db2.gz XUBBAYLNLHLGET-JTQLQIEISA-N 1 1 322.369 -1.564 20 0 DAADMO NC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC001365197018 919140536 /nfs/dbraw/zinc/14/05/36/919140536.db2.gz COLLBVOFNREXLF-NSHDSACASA-N 1 1 309.370 -2.468 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC(C3CS(=O)(=O)C3)C2)CC1 ZINC001365194658 919141904 /nfs/dbraw/zinc/14/19/04/919141904.db2.gz NTCLSBFSSOXKTB-UHFFFAOYSA-N 1 1 301.412 -1.263 20 0 DAADMO CC(C)(CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)CS(N)(=O)=O ZINC001365247409 919147879 /nfs/dbraw/zinc/14/78/79/919147879.db2.gz WXPTUSKRDKFTOX-SNVBAGLBSA-N 1 1 322.431 -1.333 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001365308485 919155205 /nfs/dbraw/zinc/15/52/05/919155205.db2.gz BDIRQOJWBTZFIJ-VIFPVBQESA-N 1 1 307.358 -1.502 20 0 DAADMO C[C@H]1[C@@H](O)CC[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001365297694 919155568 /nfs/dbraw/zinc/15/55/68/919155568.db2.gz QXPHXUWEICLOTK-UWVGGRQHSA-N 1 1 307.354 -1.111 20 0 DAADMO C[C@H](NC(=O)CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)C(=O)N(C)C ZINC001365310084 919157022 /nfs/dbraw/zinc/15/70/22/919157022.db2.gz IBAZBTCJJBNHBG-AVGNSLFASA-N 1 1 314.430 -1.034 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)cn1 ZINC001365305972 919157245 /nfs/dbraw/zinc/15/72/45/919157245.db2.gz QJUUSWSTYNLWRT-GXSJLCMTSA-N 1 1 304.372 -2.017 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](O)[C@H](CO)C2)cn1 ZINC001365305972 919157248 /nfs/dbraw/zinc/15/72/48/919157248.db2.gz QJUUSWSTYNLWRT-GXSJLCMTSA-N 1 1 304.372 -2.017 20 0 DAADMO CC(C)NS(=O)(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC001365301464 919157514 /nfs/dbraw/zinc/15/75/14/919157514.db2.gz ZBLMYAINQPPKMA-UHFFFAOYSA-N 1 1 321.403 -1.568 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001365311209 919157631 /nfs/dbraw/zinc/15/76/31/919157631.db2.gz NLNNDNODVZAIGF-MNOVXSKESA-N 1 1 315.370 -1.299 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)NC(N)=O ZINC001365312292 919157727 /nfs/dbraw/zinc/15/77/27/919157727.db2.gz VOEBSUAWLMLMJX-QMMMGPOBSA-N 1 1 300.315 -1.675 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001365371310 919166132 /nfs/dbraw/zinc/16/61/32/919166132.db2.gz CNYKCJUVZRTCTQ-JTQLQIEISA-N 1 1 308.404 -1.756 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001365371310 919166141 /nfs/dbraw/zinc/16/61/41/919166141.db2.gz CNYKCJUVZRTCTQ-JTQLQIEISA-N 1 1 308.404 -1.756 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCN1CCNC(=O)C1 ZINC001365373371 919166599 /nfs/dbraw/zinc/16/65/99/919166599.db2.gz UAQJEDMHYXYMNL-GFCCVEGCSA-N 1 1 313.402 -1.874 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCN1CCNC(=O)C1 ZINC001365373371 919166607 /nfs/dbraw/zinc/16/66/07/919166607.db2.gz UAQJEDMHYXYMNL-GFCCVEGCSA-N 1 1 313.402 -1.874 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001365371312 919167644 /nfs/dbraw/zinc/16/76/44/919167644.db2.gz CNYKCJUVZRTCTQ-SNVBAGLBSA-N 1 1 308.404 -1.756 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001365371312 919167654 /nfs/dbraw/zinc/16/76/54/919167654.db2.gz CNYKCJUVZRTCTQ-SNVBAGLBSA-N 1 1 308.404 -1.756 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001365394381 919173179 /nfs/dbraw/zinc/17/31/79/919173179.db2.gz YQBKRYJSWRYFBV-UHFFFAOYSA-N 1 1 306.388 -1.609 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001365386468 919173451 /nfs/dbraw/zinc/17/34/51/919173451.db2.gz SZKFNLWANVKTBE-SECBINFHSA-N 1 1 301.347 -1.770 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)NCc2nnc3n2CCNC3=O)CC[N@H+]1C ZINC001365437653 919184737 /nfs/dbraw/zinc/18/47/37/919184737.db2.gz YDSZJJXBMALNFV-BDAKNGLRSA-N 1 1 307.358 -1.087 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001365459701 919190710 /nfs/dbraw/zinc/19/07/10/919190710.db2.gz GIUIRSACYCHHBD-UHFFFAOYSA-N 1 1 302.360 -2.133 20 0 DAADMO Cn1cnn(CCC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)c1=O ZINC001365526459 919195147 /nfs/dbraw/zinc/19/51/47/919195147.db2.gz KLYDOFAGAWKHLL-UHFFFAOYSA-N 1 1 323.397 -1.111 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001365580460 919200843 /nfs/dbraw/zinc/20/08/43/919200843.db2.gz NGBAXQJCYFWWIG-LLVKDONJSA-N 1 1 322.431 -1.318 20 0 DAADMO Cn1nnc(CN2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001365625701 919203225 /nfs/dbraw/zinc/20/32/25/919203225.db2.gz VQBMHJGMFZNLPP-LLVKDONJSA-N 1 1 309.374 -1.815 20 0 DAADMO Cn1nnc(CN2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001365625701 919203237 /nfs/dbraw/zinc/20/32/37/919203237.db2.gz VQBMHJGMFZNLPP-LLVKDONJSA-N 1 1 309.374 -1.815 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)c4nnn(C)n4)C3)C2)C1=O ZINC001365598349 919204268 /nfs/dbraw/zinc/20/42/68/919204268.db2.gz WMBRMZUPBBOYIX-SNVBAGLBSA-N 1 1 319.369 -1.411 20 0 DAADMO COC(=O)CNC(=O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC001365611978 919205257 /nfs/dbraw/zinc/20/52/57/919205257.db2.gz WDPHPQGGDOWXRT-UHFFFAOYSA-N 1 1 315.351 -1.287 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCc2nnnn2CC1 ZINC001365649156 919207103 /nfs/dbraw/zinc/20/71/03/919207103.db2.gz QVRPWHJBMQNZCH-WDEREUQCSA-N 1 1 309.374 -1.256 20 0 DAADMO C[C@H](CNC(=O)NCCS(N)(=O)=O)N1CCN(C)CC1 ZINC001365677140 919215639 /nfs/dbraw/zinc/21/56/39/919215639.db2.gz XVBHNMRMAQOCBL-SNVBAGLBSA-N 1 1 307.420 -1.790 20 0 DAADMO CC[C@@H](C[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1)OC ZINC001365692551 919218387 /nfs/dbraw/zinc/21/83/87/919218387.db2.gz DCTGAORZXROZRQ-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001365699104 919220551 /nfs/dbraw/zinc/22/05/51/919220551.db2.gz XHFLAVDVNGKFOT-LZVRBXCZSA-N 1 1 314.433 -1.538 20 0 DAADMO CN(C)[S@@](C)(=O)=NS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001365699104 919220560 /nfs/dbraw/zinc/22/05/60/919220560.db2.gz XHFLAVDVNGKFOT-LZVRBXCZSA-N 1 1 314.433 -1.538 20 0 DAADMO CN1CCN(S(=O)(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC001365701324 919220695 /nfs/dbraw/zinc/22/06/95/919220695.db2.gz MJMPIQHGKGGZCU-UHFFFAOYSA-N 1 1 306.432 -1.210 20 0 DAADMO CN1CCN(S(=O)(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC001365701324 919220705 /nfs/dbraw/zinc/22/07/05/919220705.db2.gz MJMPIQHGKGGZCU-UHFFFAOYSA-N 1 1 306.432 -1.210 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001365699103 919221119 /nfs/dbraw/zinc/22/11/19/919221119.db2.gz XHFLAVDVNGKFOT-DYBLOJMWSA-N 1 1 314.433 -1.538 20 0 DAADMO CN(C)[S@](C)(=O)=NS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001365699103 919221135 /nfs/dbraw/zinc/22/11/35/919221135.db2.gz XHFLAVDVNGKFOT-DYBLOJMWSA-N 1 1 314.433 -1.538 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001365848383 919241638 /nfs/dbraw/zinc/24/16/38/919241638.db2.gz IROIYXSGEWDXQR-MGCOHNPYSA-N 1 1 309.374 -1.150 20 0 DAADMO CCC(=O)N1CCC[C@H]([N@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001365870749 919241831 /nfs/dbraw/zinc/24/18/31/919241831.db2.gz MAYYXDRCLILUPS-JTQLQIEISA-N 1 1 300.359 -1.123 20 0 DAADMO CCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001365870749 919241847 /nfs/dbraw/zinc/24/18/47/919241847.db2.gz MAYYXDRCLILUPS-JTQLQIEISA-N 1 1 300.359 -1.123 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001365926124 919246084 /nfs/dbraw/zinc/24/60/84/919246084.db2.gz NCYUWRWIAOZAOQ-UHFFFAOYSA-N 1 1 324.345 -2.059 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H]1C ZINC001365911273 919246338 /nfs/dbraw/zinc/24/63/38/919246338.db2.gz RZFLPKREDFGAPU-MXWKQRLJSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnccc2=O)CC[N@@H+]1CC(N)=O ZINC001365895649 919247892 /nfs/dbraw/zinc/24/78/92/919247892.db2.gz GLTWOFOUHNKIPD-MNOVXSKESA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnccc2=O)CC[N@H+]1CC(N)=O ZINC001365895649 919247902 /nfs/dbraw/zinc/24/79/02/919247902.db2.gz GLTWOFOUHNKIPD-MNOVXSKESA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365881365 919248347 /nfs/dbraw/zinc/24/83/47/919248347.db2.gz LLPXZGKFHWHYQS-WDEREUQCSA-N 1 1 314.386 -1.732 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365881365 919248356 /nfs/dbraw/zinc/24/83/56/919248356.db2.gz LLPXZGKFHWHYQS-WDEREUQCSA-N 1 1 314.386 -1.732 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001365879361 919248922 /nfs/dbraw/zinc/24/89/22/919248922.db2.gz WARTVOYXHFNWKG-GFCCVEGCSA-N 1 1 324.385 -1.561 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001365879361 919248940 /nfs/dbraw/zinc/24/89/40/919248940.db2.gz WARTVOYXHFNWKG-GFCCVEGCSA-N 1 1 324.385 -1.561 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)OC)C1 ZINC001365942722 919251166 /nfs/dbraw/zinc/25/11/66/919251166.db2.gz JLVIUGQXDQQJMM-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365940093 919251306 /nfs/dbraw/zinc/25/13/06/919251306.db2.gz DAEDDJNJUSRKML-NSHDSACASA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365940093 919251321 /nfs/dbraw/zinc/25/13/21/919251321.db2.gz DAEDDJNJUSRKML-NSHDSACASA-N 1 1 321.385 -1.070 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001365974838 919257955 /nfs/dbraw/zinc/25/79/55/919257955.db2.gz DEQWARHIGAZUJN-VHSXEESVSA-N 1 1 308.404 -1.734 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365980146 919258304 /nfs/dbraw/zinc/25/83/04/919258304.db2.gz HYLQLNAGCVIAAB-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001365969130 919258651 /nfs/dbraw/zinc/25/86/51/919258651.db2.gz KNFKGPQNWGWBNG-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001365969130 919258666 /nfs/dbraw/zinc/25/86/66/919258666.db2.gz KNFKGPQNWGWBNG-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001365974942 919259016 /nfs/dbraw/zinc/25/90/16/919259016.db2.gz FENQCRIQCGXKCF-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001365974942 919259032 /nfs/dbraw/zinc/25/90/32/919259032.db2.gz FENQCRIQCGXKCF-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001365969121 919259069 /nfs/dbraw/zinc/25/90/69/919259069.db2.gz KNFKGPQNWGWBNG-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001365969121 919259080 /nfs/dbraw/zinc/25/90/80/919259080.db2.gz KNFKGPQNWGWBNG-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365978671 919259292 /nfs/dbraw/zinc/25/92/92/919259292.db2.gz HYLQLNAGCVIAAB-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001365971582 919260664 /nfs/dbraw/zinc/26/06/64/919260664.db2.gz GVFVFQBNWSDZMZ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001365971582 919260671 /nfs/dbraw/zinc/26/06/71/919260671.db2.gz GVFVFQBNWSDZMZ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001365977051 919260718 /nfs/dbraw/zinc/26/07/18/919260718.db2.gz OKUDJTOXKPWATF-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001365973873 919260755 /nfs/dbraw/zinc/26/07/55/919260755.db2.gz GLSZLPAARYKWIU-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001365971586 919260834 /nfs/dbraw/zinc/26/08/34/919260834.db2.gz GVFVFQBNWSDZMZ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001365971586 919260849 /nfs/dbraw/zinc/26/08/49/919260849.db2.gz GVFVFQBNWSDZMZ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001365974611 919261175 /nfs/dbraw/zinc/26/11/75/919261175.db2.gz DEQWARHIGAZUJN-NXEZZACHSA-N 1 1 308.404 -1.734 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001365981181 919261835 /nfs/dbraw/zinc/26/18/35/919261835.db2.gz HKMIHWPNIRVDJP-NSHDSACASA-N 1 1 300.359 -2.188 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001365994649 919263976 /nfs/dbraw/zinc/26/39/76/919263976.db2.gz CVSZAQXQWGOAJH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365982994 919264831 /nfs/dbraw/zinc/26/48/31/919264831.db2.gz LDBKAAPEUDUJMB-UWVGGRQHSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001365982994 919264845 /nfs/dbraw/zinc/26/48/45/919264845.db2.gz LDBKAAPEUDUJMB-UWVGGRQHSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365989216 919264956 /nfs/dbraw/zinc/26/49/56/919264956.db2.gz YUJHBEWUOZWGMG-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365989216 919264968 /nfs/dbraw/zinc/26/49/68/919264968.db2.gz YUJHBEWUOZWGMG-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986583 919265957 /nfs/dbraw/zinc/26/59/57/919265957.db2.gz OFTAASQAINDILR-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986583 919265975 /nfs/dbraw/zinc/26/59/75/919265975.db2.gz OFTAASQAINDILR-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001366002074 919267755 /nfs/dbraw/zinc/26/77/55/919267755.db2.gz FLZRQUWUJXNKHO-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001366006941 919268123 /nfs/dbraw/zinc/26/81/23/919268123.db2.gz YXOZHPFDWFJFKF-NSHDSACASA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001366006941 919268125 /nfs/dbraw/zinc/26/81/25/919268125.db2.gz YXOZHPFDWFJFKF-NSHDSACASA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001366021992 919268401 /nfs/dbraw/zinc/26/84/01/919268401.db2.gz DNHOZLXDZCVNTG-VIFPVBQESA-N 1 1 316.387 -1.761 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001366002898 919268642 /nfs/dbraw/zinc/26/86/42/919268642.db2.gz KSEGETXPOYQZJE-GHMZBOCLSA-N 1 1 322.365 -1.008 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000797 919269599 /nfs/dbraw/zinc/26/95/99/919269599.db2.gz IFXFNDSIJFWZGA-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000797 919269626 /nfs/dbraw/zinc/26/96/26/919269626.db2.gz IFXFNDSIJFWZGA-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001366009653 919270012 /nfs/dbraw/zinc/27/00/12/919270012.db2.gz OQRDEZWQPAVKFC-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 ZINC001366028051 919270475 /nfs/dbraw/zinc/27/04/75/919270475.db2.gz CDXSPQJYRBVVID-QWRGUYRKSA-N 1 1 308.342 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001366075202 919276833 /nfs/dbraw/zinc/27/68/33/919276833.db2.gz FWLXLCVMFIBBSP-MNOVXSKESA-N 1 1 311.386 -1.383 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001366066872 919277730 /nfs/dbraw/zinc/27/77/30/919277730.db2.gz UHXIGZVSHQCOQC-YGRLFVJLSA-N 1 1 321.385 -1.137 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(N)=O ZINC001366085541 919278426 /nfs/dbraw/zinc/27/84/26/919278426.db2.gz GRHHAVIISYQCEY-NNYUYHANSA-N 1 1 314.386 -1.274 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001366102979 919281465 /nfs/dbraw/zinc/28/14/65/919281465.db2.gz OBJAAKSILBOUQU-JTQLQIEISA-N 1 1 315.399 -1.340 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001366147174 919286187 /nfs/dbraw/zinc/28/61/87/919286187.db2.gz IIRUDIFPEGFWFD-LPEHRKFASA-N 1 1 324.389 -1.173 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001366144266 919286215 /nfs/dbraw/zinc/28/62/15/919286215.db2.gz LFZQPGOIPCRETP-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366144553 919286420 /nfs/dbraw/zinc/28/64/20/919286420.db2.gz ZHEFVWICAZJXID-CHWFTXMASA-N 1 1 311.386 -1.099 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001366144273 919286578 /nfs/dbraw/zinc/28/65/78/919286578.db2.gz LFZQPGOIPCRETP-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1cnn[nH]1 ZINC001366147025 919286798 /nfs/dbraw/zinc/28/67/98/919286798.db2.gz DCICBVBQQARHJS-AXFHLTTASA-N 1 1 322.369 -1.362 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001366128698 919287188 /nfs/dbraw/zinc/28/71/88/919287188.db2.gz LHPPTLCHZIBSPT-HAQNSBGRSA-N 1 1 323.401 -1.331 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001366144269 919287300 /nfs/dbraw/zinc/28/73/00/919287300.db2.gz LFZQPGOIPCRETP-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366144558 919288106 /nfs/dbraw/zinc/28/81/06/919288106.db2.gz ZHEFVWICAZJXID-UKKRHICBSA-N 1 1 311.386 -1.099 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001366154820 919288949 /nfs/dbraw/zinc/28/89/49/919288949.db2.gz OBBIIGZBKDNMHY-AOOOYVTPSA-N 1 1 317.371 -1.535 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)NC[C@H]1CCCO1 ZINC001366152283 919289592 /nfs/dbraw/zinc/28/95/92/919289592.db2.gz XRSBXHMGFHGGCH-OUAUKWLOSA-N 1 1 322.369 -1.050 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C)O ZINC001366217138 919292443 /nfs/dbraw/zinc/29/24/43/919292443.db2.gz YBZQZIXRWHOFFP-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001366178145 919292750 /nfs/dbraw/zinc/29/27/50/919292750.db2.gz IHPKWKVGQPOQHN-QWRGUYRKSA-N 1 1 307.416 -1.255 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366184353 919292862 /nfs/dbraw/zinc/29/28/62/919292862.db2.gz INWZINYEGGZMBI-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366184353 919292879 /nfs/dbraw/zinc/29/28/79/919292879.db2.gz INWZINYEGGZMBI-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001366178140 919293883 /nfs/dbraw/zinc/29/38/83/919293883.db2.gz IHPKWKVGQPOQHN-MNOVXSKESA-N 1 1 307.416 -1.255 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001366173704 919295137 /nfs/dbraw/zinc/29/51/37/919295137.db2.gz SPBQXFZBXAJFLQ-NEPJUHHUSA-N 1 1 312.374 -1.491 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)NC(N)=O ZINC001366235932 919298423 /nfs/dbraw/zinc/29/84/23/919298423.db2.gz SEQKNSOLVBBUEN-XPORZQOISA-N 1 1 323.397 -1.242 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366252674 919298484 /nfs/dbraw/zinc/29/84/84/919298484.db2.gz PBHYODUZXDHBSN-UWVGGRQHSA-N 1 1 324.385 -1.073 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233525 919298538 /nfs/dbraw/zinc/29/85/38/919298538.db2.gz NUQSJSZNXSEABM-ZTVLKNOQSA-N 1 1 324.381 -1.087 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233525 919298556 /nfs/dbraw/zinc/29/85/56/919298556.db2.gz NUQSJSZNXSEABM-ZTVLKNOQSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001366237180 919299244 /nfs/dbraw/zinc/29/92/44/919299244.db2.gz HJYXGIDPQKQGLO-ZIQFBCGOSA-N 1 1 323.397 -1.290 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366252677 919299517 /nfs/dbraw/zinc/29/95/17/919299517.db2.gz PBHYODUZXDHBSN-ZJUUUORDSA-N 1 1 324.385 -1.073 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001366286879 919305204 /nfs/dbraw/zinc/30/52/04/919305204.db2.gz VQARYOOURWUUCL-MRVPVSSYSA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1nnnn1C ZINC001366286950 919305601 /nfs/dbraw/zinc/30/56/01/919305601.db2.gz VTMGIKLKVZOAJQ-VIFPVBQESA-N 1 1 309.374 -1.327 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1ncccn1)C(N)=O ZINC001366324548 919309379 /nfs/dbraw/zinc/30/93/79/919309379.db2.gz BGABTEFZFZFNAU-KOLCDFICSA-N 1 1 322.369 -1.549 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366332449 919311922 /nfs/dbraw/zinc/31/19/22/919311922.db2.gz JSUFABFETHAIRB-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366332449 919311936 /nfs/dbraw/zinc/31/19/36/919311936.db2.gz JSUFABFETHAIRB-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001366327363 919313830 /nfs/dbraw/zinc/31/38/30/919313830.db2.gz OSOOXYBAXWZVJG-NXEZZACHSA-N 1 1 309.374 -1.036 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001366339785 919315026 /nfs/dbraw/zinc/31/50/26/919315026.db2.gz SSQRVTACCAWQAP-ADEWGFFLSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cn(C)nn1 ZINC001366354779 919316747 /nfs/dbraw/zinc/31/67/47/919316747.db2.gz AEOMKDUZZWEAEV-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1nnnn1C ZINC001366354998 919316830 /nfs/dbraw/zinc/31/68/30/919316830.db2.gz HKCWUESPINCELZ-MRVPVSSYSA-N 1 1 319.391 -2.304 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001366385335 919320634 /nfs/dbraw/zinc/32/06/34/919320634.db2.gz OJIKZWSSBJLVSW-JTQLQIEISA-N 1 1 311.342 -1.135 20 0 DAADMO C[C@H](CCNC(=O)CCn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC001366447832 919328714 /nfs/dbraw/zinc/32/87/14/919328714.db2.gz UERXKQUNAVOFKW-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO C[C@H](CCNC(=O)c1nccnc1N)[NH2+]Cc1nnn(C)n1 ZINC001366447031 919329106 /nfs/dbraw/zinc/32/91/06/919329106.db2.gz CIUGHZACSIJNRP-MRVPVSSYSA-N 1 1 305.346 -1.120 20 0 DAADMO C[C@@H](CCNC(=O)c1nccnc1N)[NH2+]Cc1nnn(C)n1 ZINC001366447037 919329198 /nfs/dbraw/zinc/32/91/98/919329198.db2.gz CIUGHZACSIJNRP-QMMMGPOBSA-N 1 1 305.346 -1.120 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001366441836 919331013 /nfs/dbraw/zinc/33/10/13/919331013.db2.gz LVGCXOMQZJXVJE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001366439299 919331162 /nfs/dbraw/zinc/33/11/62/919331162.db2.gz UQODMEWFRBTRBJ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001366439299 919331178 /nfs/dbraw/zinc/33/11/78/919331178.db2.gz UQODMEWFRBTRBJ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCC1=O)CCNS(C)(=O)=O ZINC001366502572 919334740 /nfs/dbraw/zinc/33/47/40/919334740.db2.gz CHFZCRMFBRUGOK-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCC1=O)CCNS(C)(=O)=O ZINC001366502572 919334752 /nfs/dbraw/zinc/33/47/52/919334752.db2.gz CHFZCRMFBRUGOK-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366520936 919335191 /nfs/dbraw/zinc/33/51/91/919335191.db2.gz JEXBUNBHEPVRGT-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366520936 919335194 /nfs/dbraw/zinc/33/51/94/919335194.db2.gz JEXBUNBHEPVRGT-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CN(C)c1cnc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001366529084 919335238 /nfs/dbraw/zinc/33/52/38/919335238.db2.gz LQJVAGVLKHFOIG-UHFFFAOYSA-N 1 1 323.357 -1.601 20 0 DAADMO CN(C)c1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001366529084 919335255 /nfs/dbraw/zinc/33/52/55/919335255.db2.gz LQJVAGVLKHFOIG-UHFFFAOYSA-N 1 1 323.357 -1.601 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001366535082 919335337 /nfs/dbraw/zinc/33/53/37/919335337.db2.gz FIFLVICFGHBVAB-UHFFFAOYSA-N 1 1 309.392 -2.487 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001366535082 919335352 /nfs/dbraw/zinc/33/53/52/919335352.db2.gz FIFLVICFGHBVAB-UHFFFAOYSA-N 1 1 309.392 -2.487 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001366518977 919335497 /nfs/dbraw/zinc/33/54/97/919335497.db2.gz BLQBSCSDKPVKCL-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001366518977 919335513 /nfs/dbraw/zinc/33/55/13/919335513.db2.gz BLQBSCSDKPVKCL-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1ncc[nH]1)S(C)(=O)=O ZINC001366529571 919335682 /nfs/dbraw/zinc/33/56/82/919335682.db2.gz MAGARQCMBCMEPU-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1ncc[nH]1)S(C)(=O)=O ZINC001366529571 919335698 /nfs/dbraw/zinc/33/56/98/919335698.db2.gz MAGARQCMBCMEPU-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001366534353 919335740 /nfs/dbraw/zinc/33/57/40/919335740.db2.gz HQQUQJZKTOSQLV-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001366534353 919335758 /nfs/dbraw/zinc/33/57/58/919335758.db2.gz HQQUQJZKTOSQLV-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO C[N@H+](CCNC(=O)c1cn2c(n1)CCC2)CC(=O)NC(N)=O ZINC001366527112 919336490 /nfs/dbraw/zinc/33/64/90/919336490.db2.gz KIEMXYMGVGUHMO-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn2c(n1)CCC2)CC(=O)NC(N)=O ZINC001366527112 919336502 /nfs/dbraw/zinc/33/65/02/919336502.db2.gz KIEMXYMGVGUHMO-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)nn1 ZINC001366525747 919337084 /nfs/dbraw/zinc/33/70/84/919337084.db2.gz BPIBGRXMLGDRCM-NSHDSACASA-N 1 1 307.358 -1.266 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC001366525075 919338357 /nfs/dbraw/zinc/33/83/57/919338357.db2.gz CQXPFURPVMPWIY-UHFFFAOYSA-N 1 1 316.358 -1.357 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC001366525075 919338368 /nfs/dbraw/zinc/33/83/68/919338368.db2.gz CQXPFURPVMPWIY-UHFFFAOYSA-N 1 1 316.358 -1.357 20 0 DAADMO CO[C@@H](C)C(=O)NCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001366521998 919339043 /nfs/dbraw/zinc/33/90/43/919339043.db2.gz QMLNPGCDHOFPGH-JTQLQIEISA-N 1 1 312.370 -1.333 20 0 DAADMO CO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001366521998 919339057 /nfs/dbraw/zinc/33/90/57/919339057.db2.gz QMLNPGCDHOFPGH-JTQLQIEISA-N 1 1 312.370 -1.333 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2cocn2)n(C)c1=O ZINC001366522394 919339133 /nfs/dbraw/zinc/33/91/33/919339133.db2.gz XOHAVFPSPGYPII-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2cocn2)n(C)c1=O ZINC001366522394 919339146 /nfs/dbraw/zinc/33/91/46/919339146.db2.gz XOHAVFPSPGYPII-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)CCn1cccn1)S(C)(=O)=O ZINC001366535921 919341536 /nfs/dbraw/zinc/34/15/36/919341536.db2.gz UQRYSDHHTILTPB-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001366536569 919342523 /nfs/dbraw/zinc/34/25/23/919342523.db2.gz XVKMCYRBPWDYLT-UHFFFAOYSA-N 1 1 317.346 -2.666 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001366536569 919342539 /nfs/dbraw/zinc/34/25/39/919342539.db2.gz XVKMCYRBPWDYLT-UHFFFAOYSA-N 1 1 317.346 -2.666 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1coc(OC)n1 ZINC001366552190 919342896 /nfs/dbraw/zinc/34/28/96/919342896.db2.gz FBFAEVAEVALWQY-UHFFFAOYSA-N 1 1 313.314 -1.200 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1coc(OC)n1 ZINC001366552190 919342900 /nfs/dbraw/zinc/34/29/00/919342900.db2.gz FBFAEVAEVALWQY-UHFFFAOYSA-N 1 1 313.314 -1.200 20 0 DAADMO CO[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@H]1CCOC1 ZINC001366554894 919343978 /nfs/dbraw/zinc/34/39/78/919343978.db2.gz QBOHBWAAKOXVQY-GXSJLCMTSA-N 1 1 316.358 -1.719 20 0 DAADMO CO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@H]1CCOC1 ZINC001366554894 919343994 /nfs/dbraw/zinc/34/39/94/919343994.db2.gz QBOHBWAAKOXVQY-GXSJLCMTSA-N 1 1 316.358 -1.719 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001366543331 919344119 /nfs/dbraw/zinc/34/41/19/919344119.db2.gz BMVCBJYCGLTBLZ-SNVBAGLBSA-N 1 1 314.342 -1.996 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001366549242 919344356 /nfs/dbraw/zinc/34/43/56/919344356.db2.gz XNYBRZXXNQIZQR-QWRGUYRKSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001366549242 919344368 /nfs/dbraw/zinc/34/43/68/919344368.db2.gz XNYBRZXXNQIZQR-QWRGUYRKSA-N 1 1 322.369 -1.323 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001366536422 919344616 /nfs/dbraw/zinc/34/46/16/919344616.db2.gz WHEOJSYTHWEAKC-LLVKDONJSA-N 1 1 316.402 -1.384 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001366536422 919344628 /nfs/dbraw/zinc/34/46/28/919344628.db2.gz WHEOJSYTHWEAKC-LLVKDONJSA-N 1 1 316.402 -1.384 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001366542690 919344676 /nfs/dbraw/zinc/34/46/76/919344676.db2.gz YLQGWZFNSVLHIM-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366567246 919345900 /nfs/dbraw/zinc/34/59/00/919345900.db2.gz LCOLKVUFWKTADL-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366567246 919345919 /nfs/dbraw/zinc/34/59/19/919345919.db2.gz LCOLKVUFWKTADL-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO Cc1nc(C)n(CC[N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001366565175 919346123 /nfs/dbraw/zinc/34/61/23/919346123.db2.gz NTNDHVVEZMFFLN-LLVKDONJSA-N 1 1 309.374 -1.376 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)CCn1cncn1 ZINC001366578246 919346509 /nfs/dbraw/zinc/34/65/09/919346509.db2.gz ILLRRDHPGNSENO-UHFFFAOYSA-N 1 1 323.357 -1.732 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@H]2CCOC2)c(=O)n(C)c1=O ZINC001366572449 919346806 /nfs/dbraw/zinc/34/68/06/919346806.db2.gz XIGIDNAWHCYNJB-LLVKDONJSA-N 1 1 324.381 -1.218 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC001366572452 919347420 /nfs/dbraw/zinc/34/74/20/919347420.db2.gz XIGIDNAWHCYNJB-NSHDSACASA-N 1 1 324.381 -1.218 20 0 DAADMO Cc1c[nH]c(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001366574150 919347534 /nfs/dbraw/zinc/34/75/34/919347534.db2.gz JIDPQFXGVBSKHX-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1c[nH]c(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001366574150 919347545 /nfs/dbraw/zinc/34/75/45/919347545.db2.gz JIDPQFXGVBSKHX-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO C[N@H+](CCNC(=O)[C@]1(F)CCOC1)CCNS(C)(=O)=O ZINC001366563933 919347573 /nfs/dbraw/zinc/34/75/73/919347573.db2.gz KCYTWFRMEPJCCO-NSHDSACASA-N 1 1 311.379 -1.288 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(F)CCOC1)CCNS(C)(=O)=O ZINC001366563933 919347587 /nfs/dbraw/zinc/34/75/87/919347587.db2.gz KCYTWFRMEPJCCO-NSHDSACASA-N 1 1 311.379 -1.288 20 0 DAADMO CN1CCC[C@@H]([N@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001366575192 919347620 /nfs/dbraw/zinc/34/76/20/919347620.db2.gz VAVJWSOGEIZJJY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001366575192 919347637 /nfs/dbraw/zinc/34/76/37/919347637.db2.gz VAVJWSOGEIZJJY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001366562115 919347749 /nfs/dbraw/zinc/34/77/49/919347749.db2.gz YCZMZWOIQAOMTG-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001366562115 919347763 /nfs/dbraw/zinc/34/77/63/919347763.db2.gz YCZMZWOIQAOMTG-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+](CCNC(=O)CCCS(N)(=O)=O)[C@H]1CCNC1=O ZINC001366564353 919347976 /nfs/dbraw/zinc/34/79/76/919347976.db2.gz LNHLQKXNBJNDKW-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@H]1CCNC1=O ZINC001366564353 919347991 /nfs/dbraw/zinc/34/79/91/919347991.db2.gz LNHLQKXNBJNDKW-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(=O)NC1CC1 ZINC001366561138 919349006 /nfs/dbraw/zinc/34/90/06/919349006.db2.gz ZMWNPPBLWIYAJF-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CC(=O)NC(=O)NC1CC1 ZINC001366561138 919349023 /nfs/dbraw/zinc/34/90/23/919349023.db2.gz ZMWNPPBLWIYAJF-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001366562069 919349331 /nfs/dbraw/zinc/34/93/31/919349331.db2.gz YCZMZWOIQAOMTG-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001366562069 919349350 /nfs/dbraw/zinc/34/93/50/919349350.db2.gz YCZMZWOIQAOMTG-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CCNC1=O ZINC001366592698 919351751 /nfs/dbraw/zinc/35/17/51/919351751.db2.gz NZWYUIPXOZOVQI-MNOVXSKESA-N 1 1 306.370 -1.223 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCc2nncn2C1)[C@H]1CCNC1=O ZINC001366592698 919351775 /nfs/dbraw/zinc/35/17/75/919351775.db2.gz NZWYUIPXOZOVQI-MNOVXSKESA-N 1 1 306.370 -1.223 20 0 DAADMO C[N@@H+](CCNC(=O)CCNC(N)=O)C[C@@H]1CCc2ncnn21 ZINC001366584138 919352203 /nfs/dbraw/zinc/35/22/03/919352203.db2.gz CNSGXGQSBZACHU-JTQLQIEISA-N 1 1 309.374 -1.128 20 0 DAADMO CCn1nc(C)c(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001366599631 919352615 /nfs/dbraw/zinc/35/26/15/919352615.db2.gz KQCGIQCBHFJWSN-UHFFFAOYSA-N 1 1 311.346 -1.537 20 0 DAADMO CCn1nc(C)c(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001366599631 919352633 /nfs/dbraw/zinc/35/26/33/919352633.db2.gz KQCGIQCBHFJWSN-UHFFFAOYSA-N 1 1 311.346 -1.537 20 0 DAADMO C[N@@H+](CCNC(=O)CCNC(N)=O)C[C@H]1CCc2ncnn21 ZINC001366584141 919353340 /nfs/dbraw/zinc/35/33/40/919353340.db2.gz CNSGXGQSBZACHU-SNVBAGLBSA-N 1 1 309.374 -1.128 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001366595386 919353875 /nfs/dbraw/zinc/35/38/75/919353875.db2.gz IXTIFVKICMEIIR-UHFFFAOYSA-N 1 1 301.391 -1.170 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001366591149 919354102 /nfs/dbraw/zinc/35/41/02/919354102.db2.gz QGFKWMPBBKJZEY-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001366591149 919354118 /nfs/dbraw/zinc/35/41/18/919354118.db2.gz QGFKWMPBBKJZEY-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001366597232 919354895 /nfs/dbraw/zinc/35/48/95/919354895.db2.gz YAFCZZHWTSKZAM-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001366597232 919354912 /nfs/dbraw/zinc/35/49/12/919354912.db2.gz YAFCZZHWTSKZAM-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001366590560 919354993 /nfs/dbraw/zinc/35/49/93/919354993.db2.gz LZQHDZKQHIBLED-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001366590560 919355006 /nfs/dbraw/zinc/35/50/06/919355006.db2.gz LZQHDZKQHIBLED-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)CCN1CCNC1=O ZINC001366612306 919355970 /nfs/dbraw/zinc/35/59/70/919355970.db2.gz AXBQCMMHPOVTGC-UHFFFAOYSA-N 1 1 310.362 -1.864 20 0 DAADMO CC[N@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)NC(N)=O ZINC001366628393 919356038 /nfs/dbraw/zinc/35/60/38/919356038.db2.gz AHFGVQWEHXZHOG-ZDUSSCGKSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CC(=O)NC(N)=O ZINC001366628393 919356058 /nfs/dbraw/zinc/35/60/58/919356058.db2.gz AHFGVQWEHXZHOG-ZDUSSCGKSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccnn1)CC(=O)NC(=O)NC ZINC001366633522 919356349 /nfs/dbraw/zinc/35/63/49/919356349.db2.gz LUDBUSBOVAIHLB-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccnn1)CC(=O)NC(=O)NC ZINC001366633522 919356364 /nfs/dbraw/zinc/35/63/64/919356364.db2.gz LUDBUSBOVAIHLB-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001366633225 919356823 /nfs/dbraw/zinc/35/68/23/919356823.db2.gz GHONVHDBKSQNOW-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)n1)CCN1CCNC1=O ZINC001366633224 919357142 /nfs/dbraw/zinc/35/71/42/919357142.db2.gz JNFIAIJUYURNGB-UHFFFAOYSA-N 1 1 309.374 -1.108 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)CN1CCNC(=O)C1 ZINC001366628949 919357696 /nfs/dbraw/zinc/35/76/96/919357696.db2.gz XVKBXCUSVNEQQD-NSHDSACASA-N 1 1 313.402 -1.880 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CC(C)C ZINC001366622450 919358134 /nfs/dbraw/zinc/35/81/34/919358134.db2.gz IWKBEAHVNKNULL-NSHDSACASA-N 1 1 319.427 -1.006 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(C)C1=O ZINC001366625848 919358441 /nfs/dbraw/zinc/35/84/41/919358441.db2.gz KKVQMXNPMGTNSW-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H](C)C(=O)NC1CC1 ZINC001366629183 919358852 /nfs/dbraw/zinc/35/88/52/919358852.db2.gz XYPUHVJQVQLHBP-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H](C)C(=O)NC1CC1 ZINC001366629183 919358868 /nfs/dbraw/zinc/35/88/68/919358868.db2.gz XYPUHVJQVQLHBP-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001366671248 919360234 /nfs/dbraw/zinc/36/02/34/919360234.db2.gz VJGFWFIOYJVTEC-WDEREUQCSA-N 1 1 310.354 -1.029 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001366651567 919364095 /nfs/dbraw/zinc/36/40/95/919364095.db2.gz BOBSZRANFSZDCS-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001366651567 919364111 /nfs/dbraw/zinc/36/41/11/919364111.db2.gz BOBSZRANFSZDCS-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654575 919364241 /nfs/dbraw/zinc/36/42/41/919364241.db2.gz KIAZGSWIEJYPEM-VHSXEESVSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654575 919364257 /nfs/dbraw/zinc/36/42/57/919364257.db2.gz KIAZGSWIEJYPEM-VHSXEESVSA-N 1 1 323.357 -1.385 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001366693692 919365398 /nfs/dbraw/zinc/36/53/98/919365398.db2.gz OODKKTPLWMNQOJ-VIFPVBQESA-N 1 1 324.345 -2.433 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366695386 919367814 /nfs/dbraw/zinc/36/78/14/919367814.db2.gz KNEXWCPGANIFCQ-GHMZBOCLSA-N 1 1 310.354 -1.232 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001366684400 919368659 /nfs/dbraw/zinc/36/86/59/919368659.db2.gz GPWOCUGIKVRSQT-KBPBESRZSA-N 1 1 315.414 -1.236 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001366696493 919368834 /nfs/dbraw/zinc/36/88/34/919368834.db2.gz MDKCHKMDQPSFHM-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001366695878 919369016 /nfs/dbraw/zinc/36/90/16/919369016.db2.gz KUEREDDEXNQFSA-SECBINFHSA-N 1 1 308.342 -1.333 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001366682414 919369656 /nfs/dbraw/zinc/36/96/56/919369656.db2.gz MPGXYLOHLSBUFN-AAEUAGOBSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001366681417 919369747 /nfs/dbraw/zinc/36/97/47/919369747.db2.gz OFLQQYFGPQVIEO-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](CCn1cncn1)C1CC1 ZINC001366735629 919370390 /nfs/dbraw/zinc/37/03/90/919370390.db2.gz RQWPERYZTXGXSU-UHFFFAOYSA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001366701226 919372440 /nfs/dbraw/zinc/37/24/40/919372440.db2.gz RHCATENGSXDOQE-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001366701226 919372458 /nfs/dbraw/zinc/37/24/58/919372458.db2.gz RHCATENGSXDOQE-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001366698596 919372582 /nfs/dbraw/zinc/37/25/82/919372582.db2.gz PFSVROVRKIMZTA-RYUDHWBXSA-N 1 1 321.443 -1.009 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753145 919372894 /nfs/dbraw/zinc/37/28/94/919372894.db2.gz YZVBKYPBKWAZGE-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753145 919372908 /nfs/dbraw/zinc/37/29/08/919372908.db2.gz YZVBKYPBKWAZGE-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1)n1cncn1 ZINC001366737008 919372948 /nfs/dbraw/zinc/37/29/48/919372948.db2.gz XJQLZFJQHWHELN-VIFPVBQESA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1)n1cncn1 ZINC001366737008 919372961 /nfs/dbraw/zinc/37/29/61/919372961.db2.gz XJQLZFJQHWHELN-VIFPVBQESA-N 1 1 323.357 -1.385 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1)NC1CC1 ZINC001366742164 919373075 /nfs/dbraw/zinc/37/30/75/919373075.db2.gz VOVSKQJYKUGGOD-LLVKDONJSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1)NC1CC1 ZINC001366742164 919373084 /nfs/dbraw/zinc/37/30/84/919373084.db2.gz VOVSKQJYKUGGOD-LLVKDONJSA-N 1 1 310.354 -1.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001366716154 919373766 /nfs/dbraw/zinc/37/37/66/919373766.db2.gz SLCQFVHZSHVZOS-NEPJUHHUSA-N 1 1 324.381 -1.161 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001366700471 919373798 /nfs/dbraw/zinc/37/37/98/919373798.db2.gz WCTGTMBSLSLXTP-SECBINFHSA-N 1 1 308.342 -1.415 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001366712865 919374179 /nfs/dbraw/zinc/37/41/79/919374179.db2.gz MQKIDUWUTQPYKI-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366709199 919374578 /nfs/dbraw/zinc/37/45/78/919374578.db2.gz LXNHONMOGAIXTD-NSHDSACASA-N 1 1 321.385 -1.190 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366709199 919374597 /nfs/dbraw/zinc/37/45/97/919374597.db2.gz LXNHONMOGAIXTD-NSHDSACASA-N 1 1 321.385 -1.190 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366709199 919374616 /nfs/dbraw/zinc/37/46/16/919374616.db2.gz LXNHONMOGAIXTD-NSHDSACASA-N 1 1 321.385 -1.190 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001366701232 919374998 /nfs/dbraw/zinc/37/49/98/919374998.db2.gz RHCATENGSXDOQE-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001366701232 919375015 /nfs/dbraw/zinc/37/50/15/919375015.db2.gz RHCATENGSXDOQE-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO Cn1nccc1C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001366730823 919375458 /nfs/dbraw/zinc/37/54/58/919375458.db2.gz GMOHEKRRVILDJH-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO Cn1nccc1C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001366730823 919375476 /nfs/dbraw/zinc/37/54/76/919375476.db2.gz GMOHEKRRVILDJH-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CNC(C)=O)C1 ZINC001366827709 919380230 /nfs/dbraw/zinc/38/02/30/919380230.db2.gz PZCIACMQNZBTSB-CHWSQXEVSA-N 1 1 301.387 -1.042 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001366789028 919381342 /nfs/dbraw/zinc/38/13/42/919381342.db2.gz BQDWSIGFNJXQPV-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366825395 919381853 /nfs/dbraw/zinc/38/18/53/919381853.db2.gz PKKQRAQPVMROMQ-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366828338 919382412 /nfs/dbraw/zinc/38/24/12/919382412.db2.gz UPFYINKLWFOVCU-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)c1nncn1C ZINC001366776381 919382623 /nfs/dbraw/zinc/38/26/23/919382623.db2.gz LLOFRFCVTFURNE-ZJUUUORDSA-N 1 1 309.374 -1.052 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1[nH]nnc1C ZINC001366779998 919382945 /nfs/dbraw/zinc/38/29/45/919382945.db2.gz VCVBUUGMEZHZLM-QMMMGPOBSA-N 1 1 311.346 -1.381 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001366839569 919384396 /nfs/dbraw/zinc/38/43/96/919384396.db2.gz ZSLCOKWWBSGCJM-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366836129 919384516 /nfs/dbraw/zinc/38/45/16/919384516.db2.gz PLPVXBMNMZNNRU-MNOVXSKESA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366836129 919384533 /nfs/dbraw/zinc/38/45/33/919384533.db2.gz PLPVXBMNMZNNRU-MNOVXSKESA-N 1 1 321.385 -1.175 20 0 DAADMO CC(=O)N(C)CC[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC001366855132 919384604 /nfs/dbraw/zinc/38/46/04/919384604.db2.gz MUIDDGRFDBIEAL-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001366863684 919385133 /nfs/dbraw/zinc/38/51/33/919385133.db2.gz DERRSMJYHBABMF-JTQLQIEISA-N 1 1 320.415 -1.679 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366861157 919385525 /nfs/dbraw/zinc/38/55/25/919385525.db2.gz OIHVXGMFBUHKJZ-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001366862225 919385580 /nfs/dbraw/zinc/38/55/80/919385580.db2.gz QNFQTOBMQLZCCG-SNVBAGLBSA-N 1 1 313.358 -1.902 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366860401 919385963 /nfs/dbraw/zinc/38/59/63/919385963.db2.gz KESPXLMHHRIEKM-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)C1=O ZINC001366834355 919386020 /nfs/dbraw/zinc/38/60/20/919386020.db2.gz QIKXWJYIKNQPAB-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cn3cnnn3)C2)C1=O ZINC001366830327 919386181 /nfs/dbraw/zinc/38/61/81/919386181.db2.gz ZZIPRQYNXVRMEJ-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001366863618 919386758 /nfs/dbraw/zinc/38/67/58/919386758.db2.gz BRBIJSOQHOHUIX-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO Cn1ncc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001366850710 919387420 /nfs/dbraw/zinc/38/74/20/919387420.db2.gz SLJGSSHMTAITAT-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)C1=O ZINC001366834352 919388007 /nfs/dbraw/zinc/38/80/07/919388007.db2.gz QIKXWJYIKNQPAB-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001366877994 919389330 /nfs/dbraw/zinc/38/93/30/919389330.db2.gz DPGBGLLIBOGVPZ-RYUDHWBXSA-N 1 1 316.402 -1.168 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)O)C1)C(N)=O ZINC001366906516 919389769 /nfs/dbraw/zinc/38/97/69/919389769.db2.gz RMMCUVNPNUOGOC-USWWRNFRSA-N 1 1 314.386 -1.672 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001366867727 919389911 /nfs/dbraw/zinc/38/99/11/919389911.db2.gz FVMHOKUVWBMKTB-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001366882096 919390521 /nfs/dbraw/zinc/39/05/21/919390521.db2.gz RGAKXDFGVVGUBO-GFCCVEGCSA-N 1 1 301.387 -1.136 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366865509 919390638 /nfs/dbraw/zinc/39/06/38/919390638.db2.gz BAHRTWYOYOQULS-QWRGUYRKSA-N 1 1 324.385 -1.462 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001366878467 919391471 /nfs/dbraw/zinc/39/14/71/919391471.db2.gz MPLYESSUVCORIA-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001366881104 919391716 /nfs/dbraw/zinc/39/17/16/919391716.db2.gz KAMHTNPEQMLZCO-ZDUSSCGKSA-N 1 1 312.414 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001366877988 919391825 /nfs/dbraw/zinc/39/18/25/919391825.db2.gz DPGBGLLIBOGVPZ-NEPJUHHUSA-N 1 1 316.402 -1.168 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366897663 919392070 /nfs/dbraw/zinc/39/20/70/919392070.db2.gz HYCDSGVQLAHSJB-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366897663 919392085 /nfs/dbraw/zinc/39/20/85/919392085.db2.gz HYCDSGVQLAHSJB-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001366873202 919393095 /nfs/dbraw/zinc/39/30/95/919393095.db2.gz QHYYJWVBBUIPDG-GFCCVEGCSA-N 1 1 319.373 -1.255 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366918799 919393506 /nfs/dbraw/zinc/39/35/06/919393506.db2.gz JNNNHGGAVBKUIE-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366926971 919400149 /nfs/dbraw/zinc/40/01/49/919400149.db2.gz OKUGMNCTCLGXKC-VIFPVBQESA-N 1 1 311.386 -1.146 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001366930376 919400669 /nfs/dbraw/zinc/40/06/69/919400669.db2.gz ZQVXKEYTVPMLOU-SECBINFHSA-N 1 1 300.359 -1.926 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001366949827 919406702 /nfs/dbraw/zinc/40/67/02/919406702.db2.gz PXASFHOUCWDBJZ-NSHDSACASA-N 1 1 305.400 -1.095 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001366954101 919406833 /nfs/dbraw/zinc/40/68/33/919406833.db2.gz LPNPPISJSHKULB-JTQLQIEISA-N 1 1 305.400 -1.285 20 0 DAADMO O=C(Cn1ncnn1)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001366963968 919408807 /nfs/dbraw/zinc/40/88/07/919408807.db2.gz RJFQLGZTTCMLOQ-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CC(C)NC(=O)NCC[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001366962583 919409504 /nfs/dbraw/zinc/40/95/04/919409504.db2.gz LPXXHDSDFZZSNZ-UHFFFAOYSA-N 1 1 324.389 -1.571 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001366967303 919410051 /nfs/dbraw/zinc/41/00/51/919410051.db2.gz MJQOHNFOGNIGBS-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO C[C@@]1(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)CCC(=O)N1 ZINC001366978624 919415639 /nfs/dbraw/zinc/41/56/39/919415639.db2.gz HCZHQNLFXPSBPV-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(=O)N1 ZINC001367000838 919417238 /nfs/dbraw/zinc/41/72/38/919417238.db2.gz WEUBZPICYVOVFA-WUHRBBMRSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNS(C)(=O)=O ZINC001367001244 919417520 /nfs/dbraw/zinc/41/75/20/919417520.db2.gz VTNDNXRVVZRDGM-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)NC(N)=O)C1=O ZINC001366995216 919417680 /nfs/dbraw/zinc/41/76/80/919417680.db2.gz UDGOVSSKVNTLEY-BJDJZHNGSA-N 1 1 323.397 -1.051 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)NC(N)=O)C1=O ZINC001366995216 919417690 /nfs/dbraw/zinc/41/76/90/919417690.db2.gz UDGOVSSKVNTLEY-BJDJZHNGSA-N 1 1 323.397 -1.051 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001366995172 919417765 /nfs/dbraw/zinc/41/77/65/919417765.db2.gz ZNHJRZVCVQSXMX-DCAQKATOSA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OC ZINC001366995178 919418226 /nfs/dbraw/zinc/41/82/26/919418226.db2.gz ZNHJRZVCVQSXMX-GARJFASQSA-N 1 1 301.343 -1.365 20 0 DAADMO CO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367001779 919423022 /nfs/dbraw/zinc/42/30/22/919423022.db2.gz FHSCDVUZIFAHST-MNOVXSKESA-N 1 1 324.381 -1.191 20 0 DAADMO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367001779 919423032 /nfs/dbraw/zinc/42/30/32/919423032.db2.gz FHSCDVUZIFAHST-MNOVXSKESA-N 1 1 324.381 -1.191 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001367016308 919423388 /nfs/dbraw/zinc/42/33/88/919423388.db2.gz BOIYMZOVKQGPOR-GARJFASQSA-N 1 1 321.399 -2.124 20 0 DAADMO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367001781 919423426 /nfs/dbraw/zinc/42/34/26/919423426.db2.gz FHSCDVUZIFAHST-QWRGUYRKSA-N 1 1 324.381 -1.191 20 0 DAADMO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001367001781 919423434 /nfs/dbraw/zinc/42/34/34/919423434.db2.gz FHSCDVUZIFAHST-QWRGUYRKSA-N 1 1 324.381 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001367026556 919424694 /nfs/dbraw/zinc/42/46/94/919424694.db2.gz VGLNUFRPEQDCOY-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001367026628 919425859 /nfs/dbraw/zinc/42/58/59/919425859.db2.gz NNCJTURNEADULR-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001367026628 919425865 /nfs/dbraw/zinc/42/58/65/919425865.db2.gz NNCJTURNEADULR-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001367026540 919426320 /nfs/dbraw/zinc/42/63/20/919426320.db2.gz UXQJVIDCPQABOL-QWRGUYRKSA-N 1 1 312.370 -1.465 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001367030327 919426390 /nfs/dbraw/zinc/42/63/90/919426390.db2.gz LFVFFUXRIHQZAQ-VXGBXAGGSA-N 1 1 324.385 -1.637 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030458 919426456 /nfs/dbraw/zinc/42/64/56/919426456.db2.gz NTAYJQBMSLNIEG-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030458 919426469 /nfs/dbraw/zinc/42/64/69/919426469.db2.gz NTAYJQBMSLNIEG-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367029348 919426926 /nfs/dbraw/zinc/42/69/26/919426926.db2.gz AYZMROZAOQBKMD-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367029348 919426932 /nfs/dbraw/zinc/42/69/32/919426932.db2.gz AYZMROZAOQBKMD-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001367046670 919430916 /nfs/dbraw/zinc/43/09/16/919430916.db2.gz AGFBOTWPKKJOHN-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001367046670 919430928 /nfs/dbraw/zinc/43/09/28/919430928.db2.gz AGFBOTWPKKJOHN-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001367035391 919431220 /nfs/dbraw/zinc/43/12/20/919431220.db2.gz BTVMMILVBXQLJK-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)OC)C1 ZINC001367042065 919431406 /nfs/dbraw/zinc/43/14/06/919431406.db2.gz FDQXZFGDBKOFHC-QWRGUYRKSA-N 1 1 303.359 -1.118 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367069223 919433961 /nfs/dbraw/zinc/43/39/61/919433961.db2.gz GTCAPQIRROVGDC-JTQLQIEISA-N 1 1 320.415 -1.537 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367069223 919433967 /nfs/dbraw/zinc/43/39/67/919433967.db2.gz GTCAPQIRROVGDC-JTQLQIEISA-N 1 1 320.415 -1.537 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001367063849 919434002 /nfs/dbraw/zinc/43/40/02/919434002.db2.gz RHAWBBBEQWSWBO-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064169 919434239 /nfs/dbraw/zinc/43/42/39/919434239.db2.gz IFKGJGDGSFZMIO-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064169 919434242 /nfs/dbraw/zinc/43/42/42/919434242.db2.gz IFKGJGDGSFZMIO-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001367061752 919434255 /nfs/dbraw/zinc/43/42/55/919434255.db2.gz KNQTZAWWZYYXNA-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cn(C)nn1 ZINC001367134564 919436670 /nfs/dbraw/zinc/43/66/70/919436670.db2.gz AKKIRFSNEJAGDQ-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001367100337 919439730 /nfs/dbraw/zinc/43/97/30/919439730.db2.gz MGQJTZLIQXBHDF-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001367221012 919442531 /nfs/dbraw/zinc/44/25/31/919442531.db2.gz FVUQSXQPXUQZQG-GXSJLCMTSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1nnn(C)n1 ZINC001367268195 919449156 /nfs/dbraw/zinc/44/91/56/919449156.db2.gz CVOSOXAUNDLECK-MRVPVSSYSA-N 1 1 306.330 -1.551 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)CCO1 ZINC001367304948 919455704 /nfs/dbraw/zinc/45/57/04/919455704.db2.gz LSZUKOGPRYUZDC-VXGBXAGGSA-N 1 1 309.370 -1.118 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCNC(=O)C1)N(C)C(=O)c1ccn[nH]1 ZINC001367357496 919458098 /nfs/dbraw/zinc/45/80/98/919458098.db2.gz VWLLBCCSTNCYJI-SNVBAGLBSA-N 1 1 322.369 -1.582 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001367375078 919461117 /nfs/dbraw/zinc/46/11/17/919461117.db2.gz KOYQSCBFUVDCDL-JTQLQIEISA-N 1 1 310.358 -1.562 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001367366702 919461143 /nfs/dbraw/zinc/46/11/43/919461143.db2.gz FSFRKNSZVVUTTR-SECBINFHSA-N 1 1 322.373 -1.355 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cn(C)nn2)CC1 ZINC001367374600 919461399 /nfs/dbraw/zinc/46/13/99/919461399.db2.gz SMJZZQGYNGVZKD-UHFFFAOYSA-N 1 1 309.374 -1.175 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001367366711 919462590 /nfs/dbraw/zinc/46/25/90/919462590.db2.gz FSFRKNSZVVUTTR-VIFPVBQESA-N 1 1 322.373 -1.355 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001367398542 919463629 /nfs/dbraw/zinc/46/36/29/919463629.db2.gz FUKSWJBUQSATKM-QMMMGPOBSA-N 1 1 318.403 -1.401 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001367454542 919465846 /nfs/dbraw/zinc/46/58/46/919465846.db2.gz GCKJWSYCWGMXHQ-ONGXEEELSA-N 1 1 311.390 -1.035 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367501278 919468351 /nfs/dbraw/zinc/46/83/51/919468351.db2.gz KUPFPNCUKAAKQK-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001367501278 919468367 /nfs/dbraw/zinc/46/83/67/919468367.db2.gz KUPFPNCUKAAKQK-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503146 919469499 /nfs/dbraw/zinc/46/94/99/919469499.db2.gz QCJYDGOVNCAIMA-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503146 919469492 /nfs/dbraw/zinc/46/94/92/919469492.db2.gz QCJYDGOVNCAIMA-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001367533250 919472369 /nfs/dbraw/zinc/47/23/69/919472369.db2.gz KTDWFNHFWWLBNS-UHFFFAOYSA-N 1 1 324.341 -1.771 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001367533250 919472384 /nfs/dbraw/zinc/47/23/84/919472384.db2.gz KTDWFNHFWWLBNS-UHFFFAOYSA-N 1 1 324.341 -1.771 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC(=O)NC ZINC001367517738 919472443 /nfs/dbraw/zinc/47/24/43/919472443.db2.gz JZVXMGDARCXWQE-UHFFFAOYSA-N 1 1 316.362 -2.239 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(=O)NC ZINC001367517738 919472459 /nfs/dbraw/zinc/47/24/59/919472459.db2.gz JZVXMGDARCXWQE-UHFFFAOYSA-N 1 1 316.362 -2.239 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001367519423 919472730 /nfs/dbraw/zinc/47/27/30/919472730.db2.gz YBGQQVZBECASMZ-JTQLQIEISA-N 1 1 312.374 -1.198 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367530236 919472793 /nfs/dbraw/zinc/47/27/93/919472793.db2.gz ACAYCMPLJQZIQE-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367530236 919472799 /nfs/dbraw/zinc/47/27/99/919472799.db2.gz ACAYCMPLJQZIQE-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001367536412 919473145 /nfs/dbraw/zinc/47/31/45/919473145.db2.gz OOQOVTIUFCTZQA-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)CCNC(=O)C1CC1 ZINC001367511346 919473214 /nfs/dbraw/zinc/47/32/14/919473214.db2.gz JSVMGGCMXFACFG-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367530929 919473234 /nfs/dbraw/zinc/47/32/34/919473234.db2.gz CEOPNZXFLVKMSY-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367530929 919473238 /nfs/dbraw/zinc/47/32/38/919473238.db2.gz CEOPNZXFLVKMSY-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001367530942 919473294 /nfs/dbraw/zinc/47/32/94/919473294.db2.gz CGTRZMIKEDTNRH-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001367530942 919473300 /nfs/dbraw/zinc/47/33/00/919473300.db2.gz CGTRZMIKEDTNRH-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001367521191 919473938 /nfs/dbraw/zinc/47/39/38/919473938.db2.gz UGKFOIUWGBKEHJ-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001367521191 919473949 /nfs/dbraw/zinc/47/39/49/919473949.db2.gz UGKFOIUWGBKEHJ-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367530915 919474022 /nfs/dbraw/zinc/47/40/22/919474022.db2.gz CEOPNZXFLVKMSY-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367530915 919474035 /nfs/dbraw/zinc/47/40/35/919474035.db2.gz CEOPNZXFLVKMSY-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001367525844 919474205 /nfs/dbraw/zinc/47/42/05/919474205.db2.gz SDSTZSFUJYTETL-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001367525844 919474221 /nfs/dbraw/zinc/47/42/21/919474221.db2.gz SDSTZSFUJYTETL-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517025 919474646 /nfs/dbraw/zinc/47/46/46/919474646.db2.gz CTAHJUNXKQQOCK-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)CO1 ZINC001367517025 919474659 /nfs/dbraw/zinc/47/46/59/919474659.db2.gz CTAHJUNXKQQOCK-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@]1(C)CCOC1 ZINC001367544097 919476981 /nfs/dbraw/zinc/47/69/81/919476981.db2.gz DVAZGKIMIFIAGT-CYBMUJFWSA-N 1 1 300.359 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@]1(C)CCOC1 ZINC001367544097 919476988 /nfs/dbraw/zinc/47/69/88/919476988.db2.gz DVAZGKIMIFIAGT-CYBMUJFWSA-N 1 1 300.359 -1.002 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nnnn2C)C1 ZINC001367560545 919477535 /nfs/dbraw/zinc/47/75/35/919477535.db2.gz KQCVBGIVWPNMHP-NWDGAFQWSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nnnn2C)C1 ZINC001367560545 919477546 /nfs/dbraw/zinc/47/75/46/919477546.db2.gz KQCVBGIVWPNMHP-NWDGAFQWSA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1CCOCC1)c1nnnn1C ZINC001367562464 919478115 /nfs/dbraw/zinc/47/81/15/919478115.db2.gz KINMIJPJKKYRKD-KOLCDFICSA-N 1 1 312.374 -1.236 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCCO1 ZINC001367570284 919480893 /nfs/dbraw/zinc/48/08/93/919480893.db2.gz IYMJHSDZJUVMDK-WDEREUQCSA-N 1 1 310.358 -1.246 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367565310 919481359 /nfs/dbraw/zinc/48/13/59/919481359.db2.gz IPOQQMGXDRSRFB-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001367566421 919481481 /nfs/dbraw/zinc/48/14/81/919481481.db2.gz FAGPQVRXBNQFIC-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1 ZINC001367571872 919483019 /nfs/dbraw/zinc/48/30/19/919483019.db2.gz FSXSUZPBUQSXHU-LBPRGKRZSA-N 1 1 324.385 -1.004 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)c1nnnn1C ZINC001367574568 919484252 /nfs/dbraw/zinc/48/42/52/919484252.db2.gz WGGNSCZRLXUHQK-WCBMZHEXSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001367575915 919486803 /nfs/dbraw/zinc/48/68/03/919486803.db2.gz ACMUNOVNJPINCT-SECBINFHSA-N 1 1 309.330 -1.305 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001367576009 919486891 /nfs/dbraw/zinc/48/68/91/919486891.db2.gz YZCNLTOBOVBBNW-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001367579739 919487904 /nfs/dbraw/zinc/48/79/04/919487904.db2.gz JUXUEKSSNXPQJZ-ONGXEEELSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001367579725 919488139 /nfs/dbraw/zinc/48/81/39/919488139.db2.gz JUXUEKSSNXPQJZ-KOLCDFICSA-N 1 1 310.358 -2.140 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001367579785 919490484 /nfs/dbraw/zinc/49/04/84/919490484.db2.gz FMQAOWTYMCSBFV-IONNQARKSA-N 1 1 319.387 -1.715 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001367582569 919490579 /nfs/dbraw/zinc/49/05/79/919490579.db2.gz NAYMQMXXBBEXHS-GXFFZTMASA-N 1 1 312.374 -1.672 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2=COCCO2)n1 ZINC001367580719 919491176 /nfs/dbraw/zinc/49/11/76/919491176.db2.gz YSUSQJVBKAHNAL-LLVKDONJSA-N 1 1 311.342 -1.247 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]n1 ZINC001367582577 919491220 /nfs/dbraw/zinc/49/12/20/919491220.db2.gz JBQTUNKHUWKBIJ-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001367580628 919491267 /nfs/dbraw/zinc/49/12/67/919491267.db2.gz LAQRCHZLTCSRAZ-MWLCHTKSSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001367580565 919492557 /nfs/dbraw/zinc/49/25/57/919492557.db2.gz LECLDPCLAJMAAB-JTQLQIEISA-N 1 1 310.358 -2.045 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001367584827 919493654 /nfs/dbraw/zinc/49/36/54/919493654.db2.gz RKFWLEQXVKKYJY-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001367584848 919493722 /nfs/dbraw/zinc/49/37/22/919493722.db2.gz RKFWLEQXVKKYJY-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001367584835 919494721 /nfs/dbraw/zinc/49/47/21/919494721.db2.gz RKFWLEQXVKKYJY-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cnn1C ZINC001367584188 919495190 /nfs/dbraw/zinc/49/51/90/919495190.db2.gz QBDOMLKFIFLZKV-ZDUSSCGKSA-N 1 1 321.385 -1.334 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001367585042 919495759 /nfs/dbraw/zinc/49/57/59/919495759.db2.gz OQBCIKSTVFLFFH-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001367583440 919495886 /nfs/dbraw/zinc/49/58/86/919495886.db2.gz QILGTXLEMAPEDA-OLZOCXBDSA-N 1 1 310.402 -1.041 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)CC1=O ZINC001367586967 919497551 /nfs/dbraw/zinc/49/75/51/919497551.db2.gz WPZSRQVNRFGXRN-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001367586940 919498318 /nfs/dbraw/zinc/49/83/18/919498318.db2.gz WHHQMMMHDATXIG-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)c(C)o1 ZINC001367587179 919498859 /nfs/dbraw/zinc/49/88/59/919498859.db2.gz UXFAKXODSVVXTL-GXSJLCMTSA-N 1 1 312.326 -1.033 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2ccncn2)nn1 ZINC001367586462 919499108 /nfs/dbraw/zinc/49/91/08/919499108.db2.gz IFLHZAPRRKCOHQ-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1cnnn1C)[NH+](C)C ZINC001367588900 919501840 /nfs/dbraw/zinc/50/18/40/919501840.db2.gz MJWRAZZBGHZPTA-STQMWFEESA-N 1 1 312.418 -1.032 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1)c1nnnn1C ZINC001367588198 919502275 /nfs/dbraw/zinc/50/22/75/919502275.db2.gz ZTZVFFAHBUEBMA-GXSJLCMTSA-N 1 1 322.373 -1.686 20 0 DAADMO CCc1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367590197 919502746 /nfs/dbraw/zinc/50/27/46/919502746.db2.gz XANYJKKVCJDARI-MRVPVSSYSA-N 1 1 309.330 -1.359 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cn2c(n1)COCC2 ZINC001367593116 919505958 /nfs/dbraw/zinc/50/59/58/919505958.db2.gz ILUVBWUWRXKSOV-SNVBAGLBSA-N 1 1 322.325 -1.323 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001367591782 919506040 /nfs/dbraw/zinc/50/60/40/919506040.db2.gz RYNJMIYHVLVGRD-VXGBXAGGSA-N 1 1 324.385 -1.467 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367596108 919508438 /nfs/dbraw/zinc/50/84/38/919508438.db2.gz YJRFZASUPXMDOR-NSHDSACASA-N 1 1 321.341 -1.195 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594837 919508509 /nfs/dbraw/zinc/50/85/09/919508509.db2.gz SMKUZAQNIQYHKJ-CHWSQXEVSA-N 1 1 312.414 -1.184 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001367597875 919509441 /nfs/dbraw/zinc/50/94/41/919509441.db2.gz LEXOEXHXKCJTHE-GXSJLCMTSA-N 1 1 311.342 -1.495 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001367597530 919510399 /nfs/dbraw/zinc/51/03/99/919510399.db2.gz AZYQHWUVNOKBEF-GHMZBOCLSA-N 1 1 324.385 -1.559 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001367598579 919512719 /nfs/dbraw/zinc/51/27/19/919512719.db2.gz FZKABAHJAYFKAI-SFYZADRCSA-N 1 1 314.371 -1.905 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cncnc1 ZINC001367600697 919513933 /nfs/dbraw/zinc/51/39/33/919513933.db2.gz OLLORSDVNCQDCV-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001367602974 919517581 /nfs/dbraw/zinc/51/75/81/919517581.db2.gz SOQOMRWEDVWJGH-RKDXNWHRSA-N 1 1 311.346 -2.697 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001367603871 919517737 /nfs/dbraw/zinc/51/77/37/919517737.db2.gz ISUCQIFPEPJOGZ-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001367601366 919518043 /nfs/dbraw/zinc/51/80/43/919518043.db2.gz NINHHLDPMKUGOX-BDAKNGLRSA-N 1 1 310.358 -1.963 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367601342 919518344 /nfs/dbraw/zinc/51/83/44/919518344.db2.gz BVELOZABZRLRQL-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)C1CC1 ZINC001367606855 919520089 /nfs/dbraw/zinc/52/00/89/919520089.db2.gz MIGGETJLLPHGNP-WCBMZHEXSA-N 1 1 310.358 -1.600 20 0 DAADMO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2)C(N)=O ZINC001367604960 919520231 /nfs/dbraw/zinc/52/02/31/919520231.db2.gz JEVWYXAIKPOMAU-SCZZXKLOSA-N 1 1 309.370 -1.157 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)nc1 ZINC001367606784 919521483 /nfs/dbraw/zinc/52/14/83/919521483.db2.gz LPFSFCQJKZKENK-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001367604447 919522112 /nfs/dbraw/zinc/52/21/12/919522112.db2.gz XUFKALUKBNGPAA-QMTHXVAHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)cc1=O ZINC001367606214 919522168 /nfs/dbraw/zinc/52/21/68/919522168.db2.gz LAWJQGMDUNZNJK-JTQLQIEISA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)c1 ZINC001367608903 919523776 /nfs/dbraw/zinc/52/37/76/919523776.db2.gz WJOYCVAJJWQKDR-SNVBAGLBSA-N 1 1 307.310 -1.351 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1ccnnc1 ZINC001367610115 919524236 /nfs/dbraw/zinc/52/42/36/919524236.db2.gz IWYJRVNFJBAHFE-LLVKDONJSA-N 1 1 318.341 -1.322 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)NC1CCCC1 ZINC001367607637 919525088 /nfs/dbraw/zinc/52/50/88/919525088.db2.gz MQXALCNJQMFCCF-MWLCHTKSSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001367608922 919525309 /nfs/dbraw/zinc/52/53/09/919525309.db2.gz PKOZENUPEPJSFV-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001367609348 919525513 /nfs/dbraw/zinc/52/55/13/919525513.db2.gz RGVATNWVWQHZCK-UPJWGTAASA-N 1 1 303.403 -1.455 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ccnnc1 ZINC001367613183 919527314 /nfs/dbraw/zinc/52/73/14/919527314.db2.gz PJKAHTCGKAFQDG-NSHDSACASA-N 1 1 323.332 -1.082 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001367613079 919528015 /nfs/dbraw/zinc/52/80/15/919528015.db2.gz OYNWUHQPMIBVKT-VXGBXAGGSA-N 1 1 319.369 -1.202 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001367612036 919528122 /nfs/dbraw/zinc/52/81/22/919528122.db2.gz YFTRCWADORUOLQ-SECBINFHSA-N 1 1 322.373 -1.614 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001367613062 919529946 /nfs/dbraw/zinc/52/99/46/919529946.db2.gz OYNWUHQPMIBVKT-NWDGAFQWSA-N 1 1 319.369 -1.202 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001367617106 919530335 /nfs/dbraw/zinc/53/03/35/919530335.db2.gz LNSGSZLIUSIMNR-KKOKHZNYSA-N 1 1 309.370 -1.051 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)c1nnnn1C ZINC001367614842 919530511 /nfs/dbraw/zinc/53/05/11/919530511.db2.gz GAWQZBXNUCQONG-PSASIEDQSA-N 1 1 321.341 -1.248 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001367619183 919530959 /nfs/dbraw/zinc/53/09/59/919530959.db2.gz IEFGOUDSYNCPJP-JTQLQIEISA-N 1 1 322.373 -1.466 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001367614775 919532235 /nfs/dbraw/zinc/53/22/35/919532235.db2.gz GWRDRYOMFBILKA-MXWKQRLJSA-N 1 1 307.354 -1.527 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001367617107 919532336 /nfs/dbraw/zinc/53/23/36/919532336.db2.gz LNSGSZLIUSIMNR-QCNOEVLYSA-N 1 1 309.370 -1.051 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)[nH]1 ZINC001367617133 919532362 /nfs/dbraw/zinc/53/23/62/919532362.db2.gz MCDAUTLKKMEELF-VIFPVBQESA-N 1 1 308.346 -1.569 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cccnn1 ZINC001367618211 919532974 /nfs/dbraw/zinc/53/29/74/919532974.db2.gz YATRZIRIZBILCU-JTQLQIEISA-N 1 1 318.341 -1.322 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001367618459 919533060 /nfs/dbraw/zinc/53/30/60/919533060.db2.gz OGPOSNUNAJKRPB-MNOVXSKESA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cnccn2)nn1 ZINC001367617211 919533180 /nfs/dbraw/zinc/53/31/80/919533180.db2.gz IZDMVBXHYRSIHF-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367622043 919534372 /nfs/dbraw/zinc/53/43/72/919534372.db2.gz YUOTWNJJUCKERL-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2nnnn2C2CC2)C1 ZINC001367622751 919536633 /nfs/dbraw/zinc/53/66/33/919536633.db2.gz HYYFSBAYTSWHLR-CMPLNLGQSA-N 1 1 323.401 -1.474 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001367619448 919537126 /nfs/dbraw/zinc/53/71/26/919537126.db2.gz IOTUUKPIQTZKSK-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)c1cccnc1 ZINC001367626403 919540377 /nfs/dbraw/zinc/54/03/77/919540377.db2.gz UXQCFHMJJHMQNQ-PWSUYJOCSA-N 1 1 319.369 -1.025 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001367626620 919540485 /nfs/dbraw/zinc/54/04/85/919540485.db2.gz ZXOIDGXUJMYABV-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001367626620 919540505 /nfs/dbraw/zinc/54/05/05/919540505.db2.gz ZXOIDGXUJMYABV-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)c1cccnc1 ZINC001367626394 919541466 /nfs/dbraw/zinc/54/14/66/919541466.db2.gz UXQCFHMJJHMQNQ-JQWIXIFHSA-N 1 1 319.369 -1.025 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001367625715 919541571 /nfs/dbraw/zinc/54/15/71/919541571.db2.gz RILGLIOWGXVIEM-MNOVXSKESA-N 1 1 324.385 -1.577 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367630483 919544472 /nfs/dbraw/zinc/54/44/72/919544472.db2.gz MROULCDYEVZTHF-SNVBAGLBSA-N 1 1 319.387 -2.184 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001367645281 919547643 /nfs/dbraw/zinc/54/76/43/919547643.db2.gz ALFTTYONOOCXPM-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001367645281 919547656 /nfs/dbraw/zinc/54/76/56/919547656.db2.gz ALFTTYONOOCXPM-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO CCn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001367668097 919549834 /nfs/dbraw/zinc/54/98/34/919549834.db2.gz UPSRDDXNYFHPRB-SNVBAGLBSA-N 1 1 322.325 -1.473 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367662398 919550498 /nfs/dbraw/zinc/55/04/98/919550498.db2.gz LQQUFUPVBJUWRY-NXEZZACHSA-N 1 1 310.358 -1.950 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001367651488 919551364 /nfs/dbraw/zinc/55/13/64/919551364.db2.gz DORKAERMSBVFGF-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001367651488 919551376 /nfs/dbraw/zinc/55/13/76/919551376.db2.gz DORKAERMSBVFGF-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367662404 919552352 /nfs/dbraw/zinc/55/23/52/919552352.db2.gz LQQUFUPVBJUWRY-UWVGGRQHSA-N 1 1 310.358 -1.950 20 0 DAADMO COCCn1ccc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)n1 ZINC001367681626 919554506 /nfs/dbraw/zinc/55/45/06/919554506.db2.gz FOFQKRIGIXHVAL-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367692227 919557471 /nfs/dbraw/zinc/55/74/71/919557471.db2.gz QIUCJFMUVQSYFJ-APPZFPTMSA-N 1 1 308.346 -1.716 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001367696787 919558380 /nfs/dbraw/zinc/55/83/80/919558380.db2.gz YRMWZHUPFHBSNK-HRDYMLBCSA-N 1 1 311.346 -2.163 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001367696481 919558554 /nfs/dbraw/zinc/55/85/54/919558554.db2.gz WZYLUGUOBPWEQK-BBBLOLIVSA-N 1 1 322.369 -1.476 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001367714980 919559425 /nfs/dbraw/zinc/55/94/25/919559425.db2.gz GQCLXZBITKJBLC-SFYZADRCSA-N 1 1 318.403 -1.182 20 0 DAADMO COc1cncc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)n1 ZINC001367700271 919559997 /nfs/dbraw/zinc/55/99/97/919559997.db2.gz MLKIKJQBHIXNCV-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001367716840 919561639 /nfs/dbraw/zinc/56/16/39/919561639.db2.gz RWOMVFJREYHLBL-RKDXNWHRSA-N 1 1 316.387 -1.618 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001367750257 919564690 /nfs/dbraw/zinc/56/46/90/919564690.db2.gz WDFOQOQRKRJCJW-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367769608 919568920 /nfs/dbraw/zinc/56/89/20/919568920.db2.gz BRZGDBYPUYUEQE-QMMMGPOBSA-N 1 1 306.330 -1.788 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C)C(C)C ZINC001367767503 919569302 /nfs/dbraw/zinc/56/93/02/919569302.db2.gz LFTZWZLPDZCYOW-JOYOIKCWSA-N 1 1 311.390 -1.035 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001367783726 919571758 /nfs/dbraw/zinc/57/17/58/919571758.db2.gz RMPZPKXSTHSFQK-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001367783726 919571768 /nfs/dbraw/zinc/57/17/68/919571768.db2.gz RMPZPKXSTHSFQK-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367804993 919572531 /nfs/dbraw/zinc/57/25/31/919572531.db2.gz NGAYTAGIJISZGH-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367804993 919572546 /nfs/dbraw/zinc/57/25/46/919572546.db2.gz NGAYTAGIJISZGH-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001367795387 919572587 /nfs/dbraw/zinc/57/25/87/919572587.db2.gz SEEXMGXBHXVUPI-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001367795387 919572596 /nfs/dbraw/zinc/57/25/96/919572596.db2.gz SEEXMGXBHXVUPI-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO COc1cnc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC001367825809 919572949 /nfs/dbraw/zinc/57/29/49/919572949.db2.gz LUIMNDWTENDGML-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cnc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC001367825809 919572964 /nfs/dbraw/zinc/57/29/64/919572964.db2.gz LUIMNDWTENDGML-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccc(=O)n1C ZINC001367831694 919574789 /nfs/dbraw/zinc/57/47/89/919574789.db2.gz NKLIGHYFWSOWQR-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccc(=O)n1C ZINC001367831694 919574801 /nfs/dbraw/zinc/57/48/01/919574801.db2.gz NKLIGHYFWSOWQR-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367805004 919574943 /nfs/dbraw/zinc/57/49/43/919574943.db2.gz NGAYTAGIJISZGH-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367805004 919574959 /nfs/dbraw/zinc/57/49/59/919574959.db2.gz NGAYTAGIJISZGH-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1ncnn1 ZINC001367805207 919575171 /nfs/dbraw/zinc/57/51/71/919575171.db2.gz KQNNDKXQJFDFCS-JTQLQIEISA-N 1 1 310.362 -1.865 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367790723 919576110 /nfs/dbraw/zinc/57/61/10/919576110.db2.gz SWBFTXOXZUGDGU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001367857274 919577327 /nfs/dbraw/zinc/57/73/27/919577327.db2.gz ZKARVWITSOLTPT-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001367836078 919578189 /nfs/dbraw/zinc/57/81/89/919578189.db2.gz ZFWAFODWLAHBPR-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001367836078 919578199 /nfs/dbraw/zinc/57/81/99/919578199.db2.gz ZFWAFODWLAHBPR-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001367842690 919578721 /nfs/dbraw/zinc/57/87/21/919578721.db2.gz DGNLZVUEGWPUSO-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001367842690 919578732 /nfs/dbraw/zinc/57/87/32/919578732.db2.gz DGNLZVUEGWPUSO-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001367857545 919579393 /nfs/dbraw/zinc/57/93/93/919579393.db2.gz WFWXGCKFYSAHEC-ONGXEEELSA-N 1 1 324.385 -1.785 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001367857545 919579399 /nfs/dbraw/zinc/57/93/99/919579399.db2.gz WFWXGCKFYSAHEC-ONGXEEELSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001367847981 919579678 /nfs/dbraw/zinc/57/96/78/919579678.db2.gz HMLCHJWDFXKNNR-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001367847981 919579688 /nfs/dbraw/zinc/57/96/88/919579688.db2.gz HMLCHJWDFXKNNR-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001367843083 919580183 /nfs/dbraw/zinc/58/01/83/919580183.db2.gz ADOROFNHTRCWCX-VIFPVBQESA-N 1 1 318.403 -1.667 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1nc[nH]n1 ZINC001367843083 919580200 /nfs/dbraw/zinc/58/02/00/919580200.db2.gz ADOROFNHTRCWCX-VIFPVBQESA-N 1 1 318.403 -1.667 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001367842543 919580243 /nfs/dbraw/zinc/58/02/43/919580243.db2.gz KCYMPTXTUVESHN-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001367842543 919580249 /nfs/dbraw/zinc/58/02/49/919580249.db2.gz KCYMPTXTUVESHN-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842552 919580300 /nfs/dbraw/zinc/58/03/00/919580300.db2.gz KGYPYXSHXIEBPG-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842552 919580315 /nfs/dbraw/zinc/58/03/15/919580315.db2.gz KGYPYXSHXIEBPG-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001367869680 919581690 /nfs/dbraw/zinc/58/16/90/919581690.db2.gz PXQMFGDQDNFCLM-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001367869680 919581696 /nfs/dbraw/zinc/58/16/96/919581696.db2.gz PXQMFGDQDNFCLM-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367888029 919581885 /nfs/dbraw/zinc/58/18/85/919581885.db2.gz RWYGVJJSWRFQGV-GHMZBOCLSA-N 1 1 313.402 -1.881 20 0 DAADMO C[C@H](C[N@H+](C)Cc1ccnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001367871445 919582976 /nfs/dbraw/zinc/58/29/76/919582976.db2.gz CAMUDZUJYJDYDJ-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001367871445 919582991 /nfs/dbraw/zinc/58/29/91/919582991.db2.gz CAMUDZUJYJDYDJ-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367893904 919584407 /nfs/dbraw/zinc/58/44/07/919584407.db2.gz VMLXQWNXENORQE-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367893904 919584417 /nfs/dbraw/zinc/58/44/17/919584417.db2.gz VMLXQWNXENORQE-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367888595 919584472 /nfs/dbraw/zinc/58/44/72/919584472.db2.gz FRKKZEUODNDGOW-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367888595 919584481 /nfs/dbraw/zinc/58/44/81/919584481.db2.gz FRKKZEUODNDGOW-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)c2nnn(C)n2)C2CC2)n1 ZINC001367912013 919584873 /nfs/dbraw/zinc/58/48/73/919584873.db2.gz XEBZSCVNQRSVTN-SNVBAGLBSA-N 1 1 305.346 -1.363 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)Cn1cncn1 ZINC001367914124 919584953 /nfs/dbraw/zinc/58/49/53/919584953.db2.gz SAXZXODDKUQTGS-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)Cn1cncn1 ZINC001367914124 919584970 /nfs/dbraw/zinc/58/49/70/919584970.db2.gz SAXZXODDKUQTGS-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367893925 919585167 /nfs/dbraw/zinc/58/51/67/919585167.db2.gz VMLXQWNXENORQE-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367893925 919585180 /nfs/dbraw/zinc/58/51/80/919585180.db2.gz VMLXQWNXENORQE-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922965 919585596 /nfs/dbraw/zinc/58/55/96/919585596.db2.gz KGDXSUYUFCSXFC-YPMHNXCESA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1cnc[nH]1)C1CC1 ZINC001367910013 919585979 /nfs/dbraw/zinc/58/59/79/919585979.db2.gz HXTCBAXJYLEMBM-LLVKDONJSA-N 1 1 322.369 -1.108 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)CCNC(N)=O)C2CC2)n1 ZINC001367922042 919586584 /nfs/dbraw/zinc/58/65/84/919586584.db2.gz YUEXSXAUFYNAJT-NSHDSACASA-N 1 1 309.374 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001367942874 919590969 /nfs/dbraw/zinc/59/09/69/919590969.db2.gz FHBDRAGXDKXNES-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001367949612 919593155 /nfs/dbraw/zinc/59/31/55/919593155.db2.gz ZBPYKJSZKKZDSO-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001367966560 919596292 /nfs/dbraw/zinc/59/62/92/919596292.db2.gz HMONQWJNJRSAAQ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001367994262 919599434 /nfs/dbraw/zinc/59/94/34/919599434.db2.gz YXHJKYZZBCUZJJ-UWVGGRQHSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1)c1ncn[nH]1 ZINC001368024351 919602973 /nfs/dbraw/zinc/60/29/73/919602973.db2.gz COIVASPQGWTJKY-SNVBAGLBSA-N 1 1 305.342 -1.086 20 0 DAADMO O=C(NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1)c1nc[nH]n1 ZINC001368024351 919602987 /nfs/dbraw/zinc/60/29/87/919602987.db2.gz COIVASPQGWTJKY-SNVBAGLBSA-N 1 1 305.342 -1.086 20 0 DAADMO CN1C[C@@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC1=O ZINC001368006618 919603555 /nfs/dbraw/zinc/60/35/55/919603555.db2.gz UUNWUEWYNVOTEL-VIFPVBQESA-N 1 1 322.369 -1.675 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCC(=O)NC3)CC2)nc1=O ZINC001368016606 919603852 /nfs/dbraw/zinc/60/38/52/919603852.db2.gz YJCNROMBAUUSLA-VIFPVBQESA-N 1 1 322.369 -1.627 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001368059052 919607106 /nfs/dbraw/zinc/60/71/06/919607106.db2.gz AYIAVQYLWWIKJF-ZDUSSCGKSA-N 1 1 319.427 -1.028 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001368052430 919607793 /nfs/dbraw/zinc/60/77/93/919607793.db2.gz PSNIOHNJWSSKNS-UHFFFAOYSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001368065077 919608697 /nfs/dbraw/zinc/60/86/97/919608697.db2.gz VASXUDSMRUBTNI-DOMZBBRYSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001368077204 919610717 /nfs/dbraw/zinc/61/07/17/919610717.db2.gz BNZQPCWLJKCJGC-GFCCVEGCSA-N 1 1 314.386 -2.432 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCNC(N)=O)nn1 ZINC001368116657 919618906 /nfs/dbraw/zinc/61/89/06/919618906.db2.gz OINQPLWNGJXSIC-LLVKDONJSA-N 1 1 309.374 -1.046 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368170391 919621180 /nfs/dbraw/zinc/62/11/80/919621180.db2.gz LXBHVUULUOTLTH-GFCCVEGCSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368170391 919621189 /nfs/dbraw/zinc/62/11/89/919621189.db2.gz LXBHVUULUOTLTH-GFCCVEGCSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001368145874 919621598 /nfs/dbraw/zinc/62/15/98/919621598.db2.gz OEXXUGSLHGZGSW-NWDGAFQWSA-N 1 1 313.402 -1.746 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001368163347 919622527 /nfs/dbraw/zinc/62/25/27/919622527.db2.gz YGHNSNVPUFTPEM-CYBMUJFWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001368163347 919622540 /nfs/dbraw/zinc/62/25/40/919622540.db2.gz YGHNSNVPUFTPEM-CYBMUJFWSA-N 1 1 307.358 -1.468 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368150532 919623069 /nfs/dbraw/zinc/62/30/69/919623069.db2.gz HPICZWLJGWMNNI-CYBMUJFWSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368150532 919623080 /nfs/dbraw/zinc/62/30/80/919623080.db2.gz HPICZWLJGWMNNI-CYBMUJFWSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001368151173 919623231 /nfs/dbraw/zinc/62/32/31/919623231.db2.gz JCKWGUMWABGPHK-NHYWBVRUSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001368161820 919623424 /nfs/dbraw/zinc/62/34/24/919623424.db2.gz RKZXOEMGIMVOQI-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](CCCO)C1 ZINC001368161462 919623452 /nfs/dbraw/zinc/62/34/52/919623452.db2.gz JJNGEBDMWWNYPY-CQSZACIVSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158291 919623574 /nfs/dbraw/zinc/62/35/74/919623574.db2.gz CDNPHEDTPKCFFQ-HZMBPMFUSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158291 919623579 /nfs/dbraw/zinc/62/35/79/919623579.db2.gz CDNPHEDTPKCFFQ-HZMBPMFUSA-N 1 1 311.386 -2.127 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)CN2CCOCC2)C1 ZINC001368155748 919624095 /nfs/dbraw/zinc/62/40/95/919624095.db2.gz UUCNRKCRSJPWRL-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2)C1 ZINC001368155748 919624109 /nfs/dbraw/zinc/62/41/09/919624109.db2.gz UUCNRKCRSJPWRL-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169598 919624177 /nfs/dbraw/zinc/62/41/77/919624177.db2.gz DSYOUBCAZIKNJO-TVQRCGJNSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169598 919624188 /nfs/dbraw/zinc/62/41/88/919624188.db2.gz DSYOUBCAZIKNJO-TVQRCGJNSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@]1(CNC(=O)c2cn(CC(N)=O)nn2)CCC[N@@H+](CCO)C1 ZINC001368225854 919628049 /nfs/dbraw/zinc/62/80/49/919628049.db2.gz VVLNSLAJHZRXOG-CQSZACIVSA-N 1 1 324.385 -1.412 20 0 DAADMO C[C@]1(NC(=O)Cc2c[nH]cn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368180514 919628677 /nfs/dbraw/zinc/62/86/77/919628677.db2.gz VPHGWDKZHKQDQI-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@]1(NC(=O)Cc2c[nH]cn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368180514 919628687 /nfs/dbraw/zinc/62/86/87/919628687.db2.gz VPHGWDKZHKQDQI-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001368238472 919630009 /nfs/dbraw/zinc/63/00/09/919630009.db2.gz DDMZAXRDVBIWKC-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001368238472 919630022 /nfs/dbraw/zinc/63/00/22/919630022.db2.gz DDMZAXRDVBIWKC-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3cnnn3)C2)cn1 ZINC001368242316 919630269 /nfs/dbraw/zinc/63/02/69/919630269.db2.gz MRALTYRNUDAVBB-ZDUSSCGKSA-N 1 1 320.357 -1.840 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001368238750 919630434 /nfs/dbraw/zinc/63/04/34/919630434.db2.gz FUYNPOYQCMQCRJ-GXTWGEPZSA-N 1 1 324.385 -1.347 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001368241893 919631262 /nfs/dbraw/zinc/63/12/62/919631262.db2.gz BOQKGTIFZNZAJV-WDMOLILDSA-N 1 1 315.370 -2.175 20 0 DAADMO Cn1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001368243390 919631413 /nfs/dbraw/zinc/63/14/13/919631413.db2.gz GDZYHJZKTZMFPV-WFASDCNBSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001368243390 919631420 /nfs/dbraw/zinc/63/14/20/919631420.db2.gz GDZYHJZKTZMFPV-WFASDCNBSA-N 1 1 321.381 -1.596 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368244687 919631530 /nfs/dbraw/zinc/63/15/30/919631530.db2.gz CSFZKVHIWUUXCD-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001368238475 919631882 /nfs/dbraw/zinc/63/18/82/919631882.db2.gz DDMZAXRDVBIWKC-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001368238475 919631891 /nfs/dbraw/zinc/63/18/91/919631891.db2.gz DDMZAXRDVBIWKC-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001368244584 919632162 /nfs/dbraw/zinc/63/21/62/919632162.db2.gz CEROSTZNWIGWCD-FZMZJTMJSA-N 1 1 324.385 -1.272 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368236868 919632314 /nfs/dbraw/zinc/63/23/14/919632314.db2.gz BECZYSMCQQYRFA-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368236868 919632324 /nfs/dbraw/zinc/63/23/24/919632324.db2.gz BECZYSMCQQYRFA-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368244218 919632380 /nfs/dbraw/zinc/63/23/80/919632380.db2.gz DPJYVYSOEXIELZ-HZMBPMFUSA-N 1 1 310.354 -1.095 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001368242308 919632571 /nfs/dbraw/zinc/63/25/71/919632571.db2.gz AUALWKAGGOOQJJ-IAQYHMDHSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001368242308 919632584 /nfs/dbraw/zinc/63/25/84/919632584.db2.gz AUALWKAGGOOQJJ-IAQYHMDHSA-N 1 1 323.397 -1.128 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001368241812 919633018 /nfs/dbraw/zinc/63/30/18/919633018.db2.gz VSYUNYNBSCRLJH-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001368241812 919633024 /nfs/dbraw/zinc/63/30/24/919633024.db2.gz VSYUNYNBSCRLJH-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CCC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001368248519 919634244 /nfs/dbraw/zinc/63/42/44/919634244.db2.gz JYZMXOXGYSAVQX-PWSUYJOCSA-N 1 1 323.415 -2.011 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368247477 919634282 /nfs/dbraw/zinc/63/42/82/919634282.db2.gz XGYCWMROAINUJX-OAHLLOKOSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368247477 919634290 /nfs/dbraw/zinc/63/42/90/919634290.db2.gz XGYCWMROAINUJX-OAHLLOKOSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cccn2nnnc12 ZINC001368247957 919634405 /nfs/dbraw/zinc/63/44/05/919634405.db2.gz QKCLPLDDAURATR-ZDUSSCGKSA-N 1 1 306.326 -1.717 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001368245957 919635583 /nfs/dbraw/zinc/63/55/83/919635583.db2.gz IWOUNGXSMAATGM-RNCFNFMXSA-N 1 1 300.359 -1.207 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001368245957 919635592 /nfs/dbraw/zinc/63/55/92/919635592.db2.gz IWOUNGXSMAATGM-RNCFNFMXSA-N 1 1 300.359 -1.207 20 0 DAADMO Cn1cnnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368249088 919636399 /nfs/dbraw/zinc/63/63/99/919636399.db2.gz SYCLLOJLARFIFB-IUODEOHRSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001368247116 919636908 /nfs/dbraw/zinc/63/69/08/919636908.db2.gz PGEBNBNSWMRBCN-QMTHXVAHSA-N 1 1 320.353 -1.328 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001368245964 919637492 /nfs/dbraw/zinc/63/74/92/919637492.db2.gz IWOUNGXSMAATGM-TVQRCGJNSA-N 1 1 300.359 -1.207 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001368245964 919637498 /nfs/dbraw/zinc/63/74/98/919637498.db2.gz IWOUNGXSMAATGM-TVQRCGJNSA-N 1 1 300.359 -1.207 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368247956 919637537 /nfs/dbraw/zinc/63/75/37/919637537.db2.gz JSIVABBMINJFJD-AWEZNQCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368247956 919637565 /nfs/dbraw/zinc/63/75/65/919637565.db2.gz JSIVABBMINJFJD-AWEZNQCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001368251824 919638623 /nfs/dbraw/zinc/63/86/23/919638623.db2.gz PSVGICZKUGKJPS-WFASDCNBSA-N 1 1 321.381 -1.264 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001368252377 919638872 /nfs/dbraw/zinc/63/88/72/919638872.db2.gz FURZKMLNDVJWIJ-OTYXRUKQSA-N 1 1 323.353 -1.517 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368257145 919639468 /nfs/dbraw/zinc/63/94/68/919639468.db2.gz KWIFMBAEPOIUCM-CQSZACIVSA-N 1 1 309.370 -1.311 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368257145 919639481 /nfs/dbraw/zinc/63/94/81/919639481.db2.gz KWIFMBAEPOIUCM-CQSZACIVSA-N 1 1 309.370 -1.311 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001368254743 919639769 /nfs/dbraw/zinc/63/97/69/919639769.db2.gz XPNJKGDEWJZRPC-ABAIWWIYSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001368257188 919640055 /nfs/dbraw/zinc/64/00/55/919640055.db2.gz ZAQJHTDENINFJQ-LBPRGKRZSA-N 1 1 305.400 -1.405 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001368255464 919640237 /nfs/dbraw/zinc/64/02/37/919640237.db2.gz YOABDZSXBGWNLG-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001368255464 919640248 /nfs/dbraw/zinc/64/02/48/919640248.db2.gz YOABDZSXBGWNLG-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001368253596 919640495 /nfs/dbraw/zinc/64/04/95/919640495.db2.gz IZGPWJOWVXMSTP-FZMZJTMJSA-N 1 1 309.370 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)n2cccn2)C1 ZINC001368253596 919640511 /nfs/dbraw/zinc/64/05/11/919640511.db2.gz IZGPWJOWVXMSTP-FZMZJTMJSA-N 1 1 309.370 -1.257 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001368250744 919640633 /nfs/dbraw/zinc/64/06/33/919640633.db2.gz NWDMTJGJJVFDHD-RISCZKNCSA-N 1 1 314.386 -1.495 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368252864 919641022 /nfs/dbraw/zinc/64/10/22/919641022.db2.gz DMMPPBZDSFSEON-IINYFYTJSA-N 1 1 320.353 -1.328 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368252865 919641178 /nfs/dbraw/zinc/64/11/78/919641178.db2.gz DMMPPBZDSFSEON-QMTHXVAHSA-N 1 1 320.353 -1.328 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001368251173 919641347 /nfs/dbraw/zinc/64/13/47/919641347.db2.gz YRDQSQRZEDJMFX-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368264588 919642583 /nfs/dbraw/zinc/64/25/83/919642583.db2.gz OSNMCMACDHRICO-ZANVPECISA-N 1 1 313.358 -2.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368264588 919642596 /nfs/dbraw/zinc/64/25/96/919642596.db2.gz OSNMCMACDHRICO-ZANVPECISA-N 1 1 313.358 -2.643 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cccc2ncnn21 ZINC001368260256 919643937 /nfs/dbraw/zinc/64/39/37/919643937.db2.gz DNECDOLKPNDQNN-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264543 919644128 /nfs/dbraw/zinc/64/41/28/919644128.db2.gz LPSWNGULGOILIX-XPTSAGLGSA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264543 919644137 /nfs/dbraw/zinc/64/41/37/919644137.db2.gz LPSWNGULGOILIX-XPTSAGLGSA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001368263267 919644323 /nfs/dbraw/zinc/64/43/23/919644323.db2.gz YKWIBUFLUDEHPL-GPCCPHFNSA-N 1 1 312.370 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001368263267 919644338 /nfs/dbraw/zinc/64/43/38/919644338.db2.gz YKWIBUFLUDEHPL-GPCCPHFNSA-N 1 1 312.370 -1.349 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)NC1=O ZINC001368257753 919644367 /nfs/dbraw/zinc/64/43/67/919644367.db2.gz NECKDBGTGMQHLJ-GXFFZTMASA-N 1 1 302.350 -1.077 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001368258714 919644947 /nfs/dbraw/zinc/64/49/47/919644947.db2.gz OHUGNHWQVQDIJD-RISCZKNCSA-N 1 1 314.386 -2.648 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001368260864 919645278 /nfs/dbraw/zinc/64/52/78/919645278.db2.gz SJKGXNPSFZACOS-QMTHXVAHSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1cocc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368263159 919645476 /nfs/dbraw/zinc/64/54/76/919645476.db2.gz HXWROZYSCKMVJW-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1cocc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368263159 919645489 /nfs/dbraw/zinc/64/54/89/919645489.db2.gz HXWROZYSCKMVJW-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001368260866 919645839 /nfs/dbraw/zinc/64/58/39/919645839.db2.gz SJKGXNPSFZACOS-YGRLFVJLSA-N 1 1 322.369 -1.490 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264545 919646431 /nfs/dbraw/zinc/64/64/31/919646431.db2.gz LPSWNGULGOILIX-YMTOWFKASA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264545 919646443 /nfs/dbraw/zinc/64/64/43/919646443.db2.gz LPSWNGULGOILIX-YMTOWFKASA-N 1 1 324.385 -1.697 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cccnc3)C2)n1 ZINC001368265844 919649075 /nfs/dbraw/zinc/64/90/75/919649075.db2.gz MLKOVTIAJDMVJE-AWEZNQCLSA-N 1 1 317.353 -1.028 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001368265035 919649112 /nfs/dbraw/zinc/64/91/12/919649112.db2.gz TUBBXPCFMUCUCU-HNNXBMFYSA-N 1 1 312.414 -1.278 20 0 DAADMO CCCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1=O ZINC001368265727 919649579 /nfs/dbraw/zinc/64/95/79/919649579.db2.gz ZVJNGWRSXWEFBQ-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001368270490 919650436 /nfs/dbraw/zinc/65/04/36/919650436.db2.gz ZNHKETLJXZUWSM-KWBADKCTSA-N 1 1 318.374 -2.397 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)c1=O ZINC001368265131 919651400 /nfs/dbraw/zinc/65/14/00/919651400.db2.gz UUFNOPOZQWXWMW-LBPRGKRZSA-N 1 1 301.322 -1.896 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)c1=O ZINC001368265131 919651409 /nfs/dbraw/zinc/65/14/09/919651409.db2.gz UUFNOPOZQWXWMW-LBPRGKRZSA-N 1 1 301.322 -1.896 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)ccc2=O)C1 ZINC001368265686 919651714 /nfs/dbraw/zinc/65/17/14/919651714.db2.gz MUHUJLWCLQNECQ-NHYWBVRUSA-N 1 1 309.366 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368276254 919653149 /nfs/dbraw/zinc/65/31/49/919653149.db2.gz OTCQRILDOOASCU-GFCCVEGCSA-N 1 1 305.400 -1.501 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001368272154 919653209 /nfs/dbraw/zinc/65/32/09/919653209.db2.gz NKXPBXNJCYEDAU-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001368272154 919653224 /nfs/dbraw/zinc/65/32/24/919653224.db2.gz NKXPBXNJCYEDAU-ZDUSSCGKSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001368275404 919653331 /nfs/dbraw/zinc/65/33/31/919653331.db2.gz JATKFSMPRXYQDN-BONVTDFDSA-N 1 1 322.365 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001368273174 919653585 /nfs/dbraw/zinc/65/35/85/919653585.db2.gz ACKXUYAOBUCJTF-IINYFYTJSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001368273174 919653597 /nfs/dbraw/zinc/65/35/97/919653597.db2.gz ACKXUYAOBUCJTF-IINYFYTJSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1cnon1 ZINC001368270726 919653833 /nfs/dbraw/zinc/65/38/33/919653833.db2.gz CJQMOUFTEUAWDL-CQSZACIVSA-N 1 1 323.353 -1.238 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cc2ncccn2n1 ZINC001368271040 919654460 /nfs/dbraw/zinc/65/44/60/919654460.db2.gz DKGWXQLMQIEQAM-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275177 919654561 /nfs/dbraw/zinc/65/45/61/919654561.db2.gz YRCFRWRFMSYGMK-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275177 919654572 /nfs/dbraw/zinc/65/45/72/919654572.db2.gz YRCFRWRFMSYGMK-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001368271025 919654836 /nfs/dbraw/zinc/65/48/36/919654836.db2.gz ZQVPFKVGHOQQIG-OCCSQVGLSA-N 1 1 313.354 -1.223 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001368271023 919655823 /nfs/dbraw/zinc/65/58/23/919655823.db2.gz ZQVPFKVGHOQQIG-GXTWGEPZSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001368272625 919656372 /nfs/dbraw/zinc/65/63/72/919656372.db2.gz MIVVUVOZFCUSRG-AWEZNQCLSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)n(C)c1=O ZINC001368278002 919658464 /nfs/dbraw/zinc/65/84/64/919658464.db2.gz URMVHKWXHNHJGH-ZDUSSCGKSA-N 1 1 300.334 -1.140 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)n(C)c1=O ZINC001368278002 919658476 /nfs/dbraw/zinc/65/84/76/919658476.db2.gz URMVHKWXHNHJGH-ZDUSSCGKSA-N 1 1 300.334 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278069 919659118 /nfs/dbraw/zinc/65/91/18/919659118.db2.gz JVSZICRJDYDBJT-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278069 919659129 /nfs/dbraw/zinc/65/91/29/919659129.db2.gz JVSZICRJDYDBJT-OTYXRUKQSA-N 1 1 308.338 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001368277570 919659178 /nfs/dbraw/zinc/65/91/78/919659178.db2.gz NRVGVRQOCHLLRA-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cnccn2)C1 ZINC001368277570 919659186 /nfs/dbraw/zinc/65/91/86/919659186.db2.gz NRVGVRQOCHLLRA-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001368280216 919660313 /nfs/dbraw/zinc/66/03/13/919660313.db2.gz NRJDJDLLVNUDQE-LBPRGKRZSA-N 1 1 307.416 -1.161 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001368277604 919660500 /nfs/dbraw/zinc/66/05/00/919660500.db2.gz KYKRLXQTAWUTBC-NHYWBVRUSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001368277604 919660516 /nfs/dbraw/zinc/66/05/16/919660516.db2.gz KYKRLXQTAWUTBC-NHYWBVRUSA-N 1 1 323.397 -1.128 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001368285520 919663134 /nfs/dbraw/zinc/66/31/34/919663134.db2.gz LLMILCDEVTYOMF-AWEZNQCLSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001368285520 919663149 /nfs/dbraw/zinc/66/31/49/919663149.db2.gz LLMILCDEVTYOMF-AWEZNQCLSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CNC(=O)c1ccccc1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368285997 919663866 /nfs/dbraw/zinc/66/38/66/919663866.db2.gz YQKSUMMKNUZHIO-MRXNPFEDSA-N 1 1 321.377 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001368285227 919664377 /nfs/dbraw/zinc/66/43/77/919664377.db2.gz KSTIMCCBXJIWPX-HNNXBMFYSA-N 1 1 322.365 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001368285227 919664389 /nfs/dbraw/zinc/66/43/89/919664389.db2.gz KSTIMCCBXJIWPX-HNNXBMFYSA-N 1 1 322.365 -1.853 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001368290113 919669127 /nfs/dbraw/zinc/66/91/27/919669127.db2.gz USIBICIPYVFCOF-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001368290113 919669134 /nfs/dbraw/zinc/66/91/34/919669134.db2.gz USIBICIPYVFCOF-LBPRGKRZSA-N 1 1 324.385 -2.191 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CCOCC1 ZINC001368290321 919670034 /nfs/dbraw/zinc/67/00/34/919670034.db2.gz QCYJKQQVCHVSBG-MNOVXSKESA-N 1 1 323.353 -1.054 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368294394 919673348 /nfs/dbraw/zinc/67/33/48/919673348.db2.gz IECAFZKHFLTATN-UHFFFAOYSA-N 1 1 324.385 -1.414 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001368296825 919675762 /nfs/dbraw/zinc/67/57/62/919675762.db2.gz OJPJSBOFBLASMH-TUAOUCFPSA-N 1 1 320.411 -1.381 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001368296825 919675776 /nfs/dbraw/zinc/67/57/76/919675776.db2.gz OJPJSBOFBLASMH-TUAOUCFPSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368298999 919677386 /nfs/dbraw/zinc/67/73/86/919677386.db2.gz ARBNUQVOWUZUMZ-VXGBXAGGSA-N 1 1 301.387 -1.749 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001368307510 919686399 /nfs/dbraw/zinc/68/63/99/919686399.db2.gz URAZPZBXPUKBBB-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001368314321 919689276 /nfs/dbraw/zinc/68/92/76/919689276.db2.gz PABTUCVUAHLYAD-UHFFFAOYSA-N 1 1 314.386 -2.382 20 0 DAADMO Cc1nn(CC(=O)NCC2(O)C[NH+](CC3CCC3)C2)c(=O)n1C ZINC001368323031 919694150 /nfs/dbraw/zinc/69/41/50/919694150.db2.gz UWKWZLRKNPYNAM-UHFFFAOYSA-N 1 1 323.397 -1.147 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001368322390 919695642 /nfs/dbraw/zinc/69/56/42/919695642.db2.gz WVUQWDKFNOIRPR-NSHDSACASA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@@H](c1nncn1C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368328191 919698176 /nfs/dbraw/zinc/69/81/76/919698176.db2.gz VBDLATKWHCARMQ-RYUDHWBXSA-N 1 1 322.413 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CCNC(=O)C3CC3)C2)C1 ZINC001368328030 919699481 /nfs/dbraw/zinc/69/94/81/919699481.db2.gz UOEFQWMARXXZNU-CYBMUJFWSA-N 1 1 324.425 -1.373 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368326133 919699542 /nfs/dbraw/zinc/69/95/42/919699542.db2.gz MPDTZWCXZQFQIH-LLVKDONJSA-N 1 1 308.386 -1.570 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001368324814 919699665 /nfs/dbraw/zinc/69/96/65/919699665.db2.gz GODZVHPJDODUQZ-UHFFFAOYSA-N 1 1 319.369 -1.354 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@H](C)C(=O)N(C)C)C1 ZINC001368331020 919699696 /nfs/dbraw/zinc/69/96/96/919699696.db2.gz VHLVDGQUXJJOIF-GFCCVEGCSA-N 1 1 314.430 -1.034 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001368357114 919701603 /nfs/dbraw/zinc/70/16/03/919701603.db2.gz ZNEYGUHOABZEMN-GRYCIOLGSA-N 1 1 323.397 -1.464 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001368355974 919701724 /nfs/dbraw/zinc/70/17/24/919701724.db2.gz QFXCVHPUGOEQHK-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]c2)C1 ZINC001368363037 919701905 /nfs/dbraw/zinc/70/19/05/919701905.db2.gz BKGXYYSBBFBKPT-TZMCWYRMSA-N 1 1 312.370 -1.026 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC001368349420 919702671 /nfs/dbraw/zinc/70/26/71/919702671.db2.gz HWWWJBUDKGZQOX-PHIMTYICSA-N 1 1 305.400 -1.428 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@H]2C1 ZINC001368355458 919703580 /nfs/dbraw/zinc/70/35/80/919703580.db2.gz KWDRHYWITDGGAK-PHIMTYICSA-N 1 1 311.386 -1.477 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001368358730 919703714 /nfs/dbraw/zinc/70/37/14/919703714.db2.gz WVBGZIWJVTWGCV-AOOOYVTPSA-N 1 1 320.353 -1.131 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368373647 919706408 /nfs/dbraw/zinc/70/64/08/919706408.db2.gz HOQRHBYGJOGFHA-GXTWGEPZSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)C[NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001368373644 919706569 /nfs/dbraw/zinc/70/65/69/919706569.db2.gz ZWYQPQMZIXXBMP-UHFFFAOYSA-N 1 1 323.401 -1.275 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001368365115 919706594 /nfs/dbraw/zinc/70/65/94/919706594.db2.gz IJGZNUOZFWMNAG-MBNYWOFBSA-N 1 1 304.387 -1.028 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]2(CO)CCC[N@@H+](CC3CC3)C2)c1=O ZINC001368372462 919706836 /nfs/dbraw/zinc/70/68/36/919706836.db2.gz HMDYHWMJSOLLPH-HNNXBMFYSA-N 1 1 323.397 -1.065 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCn2cncn2)C1)c1cnon1 ZINC001368381434 919709892 /nfs/dbraw/zinc/70/98/92/919709892.db2.gz WYZFEWIBYMTGTI-ZDUSSCGKSA-N 1 1 321.341 -1.082 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@@H+](CCn2cncn2)C1)c1cnon1 ZINC001368381434 919709898 /nfs/dbraw/zinc/70/98/98/919709898.db2.gz WYZFEWIBYMTGTI-ZDUSSCGKSA-N 1 1 321.341 -1.082 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368381843 919709943 /nfs/dbraw/zinc/70/99/43/919709943.db2.gz PTKJXDYSFQQRKX-CYBMUJFWSA-N 1 1 310.358 -1.660 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCn2cncn2)C1 ZINC001368384122 919711256 /nfs/dbraw/zinc/71/12/56/919711256.db2.gz XMMZXSNQWTWAGJ-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO NC(=O)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001368389662 919711653 /nfs/dbraw/zinc/71/16/53/919711653.db2.gz LCWVBNDWYYDHRH-AWEZNQCLSA-N 1 1 301.387 -1.033 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001368383065 919711682 /nfs/dbraw/zinc/71/16/82/919711682.db2.gz UCUKNPAHIOVWJW-GFCCVEGCSA-N 1 1 323.415 -2.187 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368383065 919711688 /nfs/dbraw/zinc/71/16/88/919711688.db2.gz UCUKNPAHIOVWJW-GFCCVEGCSA-N 1 1 323.415 -2.187 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cnnn1C)c1nncn1C ZINC001368390935 919713139 /nfs/dbraw/zinc/71/31/39/919713139.db2.gz FPOAKIFLTAJXPT-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCc2nncn2C1 ZINC001368392078 919713892 /nfs/dbraw/zinc/71/38/92/919713892.db2.gz OGEQJRRJYBQACE-DOMZBBRYSA-N 1 1 323.397 -1.224 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392059 919714803 /nfs/dbraw/zinc/71/48/03/919714803.db2.gz GZSJRSCJTRSNAM-BDAKNGLRSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392059 919714823 /nfs/dbraw/zinc/71/48/23/919714823.db2.gz GZSJRSCJTRSNAM-BDAKNGLRSA-N 1 1 321.341 -1.322 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001368402804 919717793 /nfs/dbraw/zinc/71/77/93/919717793.db2.gz ALDRDLXSHMETBM-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CCN1CC(=O)NC(N)=O ZINC001368434514 919722004 /nfs/dbraw/zinc/72/20/04/919722004.db2.gz FDSBQXDTWXGIOK-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CCCC[N@@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001368439617 919725244 /nfs/dbraw/zinc/72/52/44/919725244.db2.gz TVTHFXZDRMKFOR-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CCCC[N@H+]1CCOC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001368439617 919725252 /nfs/dbraw/zinc/72/52/52/919725252.db2.gz TVTHFXZDRMKFOR-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001368512799 919735711 /nfs/dbraw/zinc/73/57/11/919735711.db2.gz XZIUIPMHIYFUJA-JQWIXIFHSA-N 1 1 324.385 -1.343 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001368518810 919736433 /nfs/dbraw/zinc/73/64/33/919736433.db2.gz FXAXGUCSXMZZNT-PHIMTYICSA-N 1 1 321.385 -1.143 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)c1cnon1 ZINC001368557321 919739377 /nfs/dbraw/zinc/73/93/77/919739377.db2.gz GWEIUENSMHUAJQ-UHFFFAOYSA-N 1 1 312.330 -1.081 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001368558379 919739905 /nfs/dbraw/zinc/73/99/05/919739905.db2.gz IRZMUPXZRHASNX-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001368546135 919740862 /nfs/dbraw/zinc/74/08/62/919740862.db2.gz DRDWFWJOUUNJDF-NEPJUHHUSA-N 1 1 316.402 -1.202 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)CCn1cncn1 ZINC001368544976 919741143 /nfs/dbraw/zinc/74/11/43/919741143.db2.gz FZZNNAITQPNAPL-UHFFFAOYSA-N 1 1 311.390 -1.013 20 0 DAADMO COCC(=O)N1CCC[C@@](CO)([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368609855 919746743 /nfs/dbraw/zinc/74/67/43/919746743.db2.gz OXMKKXGWKWAPPU-CYBMUJFWSA-N 1 1 313.358 -1.802 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC001368618127 919751425 /nfs/dbraw/zinc/75/14/25/919751425.db2.gz VMNDUGSDHHRNFE-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001368653682 919753562 /nfs/dbraw/zinc/75/35/62/919753562.db2.gz XGEYHJQIPWMSKW-XCBNKYQSSA-N 1 1 308.342 -1.037 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1)c1ncn[nH]1 ZINC001368633254 919754849 /nfs/dbraw/zinc/75/48/49/919754849.db2.gz RZIJFIQYCMIHIV-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1)c1nc[nH]n1 ZINC001368633254 919754859 /nfs/dbraw/zinc/75/48/59/919754859.db2.gz RZIJFIQYCMIHIV-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001368651730 919755120 /nfs/dbraw/zinc/75/51/20/919755120.db2.gz RVKIGGLQBUAVFR-IUCAKERBSA-N 1 1 311.346 -1.497 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001368694966 919760873 /nfs/dbraw/zinc/76/08/73/919760873.db2.gz PBOSLVVRGHVAMG-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001368729614 919765198 /nfs/dbraw/zinc/76/51/98/919765198.db2.gz CGWFEOGQDGDEFS-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001368729614 919765207 /nfs/dbraw/zinc/76/52/07/919765207.db2.gz CGWFEOGQDGDEFS-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1 ZINC001368733455 919766110 /nfs/dbraw/zinc/76/61/10/919766110.db2.gz YNCVCNJQIVTCHG-UTUOFQBUSA-N 1 1 324.381 -1.002 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001368728168 919766171 /nfs/dbraw/zinc/76/61/71/919766171.db2.gz GGIWMNSOQYFKEV-LBPRGKRZSA-N 1 1 309.370 -1.346 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001368728168 919766187 /nfs/dbraw/zinc/76/61/87/919766187.db2.gz GGIWMNSOQYFKEV-LBPRGKRZSA-N 1 1 309.370 -1.346 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001368727123 919767890 /nfs/dbraw/zinc/76/78/90/919767890.db2.gz ADVIFIPOLWCGEH-LBPRGKRZSA-N 1 1 322.427 -1.301 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001368721651 919767919 /nfs/dbraw/zinc/76/79/19/919767919.db2.gz MZQWWOLEZRJOFG-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CO)CCN(CC(N)=O)CC2)C1 ZINC001368768573 919768650 /nfs/dbraw/zinc/76/86/50/919768650.db2.gz VZOYSLGFIGXLMY-GFCCVEGCSA-N 1 1 312.414 -1.243 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001368755027 919768789 /nfs/dbraw/zinc/76/87/89/919768789.db2.gz IBGRJZBBJLBROW-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1cnc(C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)c1 ZINC001368766815 919769478 /nfs/dbraw/zinc/76/94/78/919769478.db2.gz QBNSQIRUGATZRP-LBPRGKRZSA-N 1 1 321.381 -1.135 20 0 DAADMO CC(=O)NCC(=O)N1CCOC2(CC[NH+](CC(N)=O)CC2)C1 ZINC001368752895 919769862 /nfs/dbraw/zinc/76/98/62/919769862.db2.gz GDVAQSUSKYZREN-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CCN([C@@H]2CCNC2=O)CC1 ZINC001368767099 919769915 /nfs/dbraw/zinc/76/99/15/919769915.db2.gz YAHBWEIAGYKLIS-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001368768863 919771385 /nfs/dbraw/zinc/77/13/85/919771385.db2.gz SMGNVVGRCSULPB-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001368768863 919771399 /nfs/dbraw/zinc/77/13/99/919771399.db2.gz SMGNVVGRCSULPB-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cccn2)CC1 ZINC001368757368 919771649 /nfs/dbraw/zinc/77/16/49/919771649.db2.gz SOCBMPFQLSRHAI-LBPRGKRZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CCN([C@@H]2CCNC2=O)CC1 ZINC001368767094 919772019 /nfs/dbraw/zinc/77/20/19/919772019.db2.gz YAHBWEIAGYKLIS-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001368795838 919772625 /nfs/dbraw/zinc/77/26/25/919772625.db2.gz LNPPWPPSPZDJSC-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001368795838 919772644 /nfs/dbraw/zinc/77/26/44/919772644.db2.gz LNPPWPPSPZDJSC-MEWQQHAOSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001368785020 919773729 /nfs/dbraw/zinc/77/37/29/919773729.db2.gz MFIDTVHVAWDDEQ-AXFHLTTASA-N 1 1 307.416 -1.115 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001368785393 919775477 /nfs/dbraw/zinc/77/54/77/919775477.db2.gz OQQIEAFPEXRTSA-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001368828752 919777166 /nfs/dbraw/zinc/77/71/66/919777166.db2.gz JBSAVMYYANGUTQ-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368812518 919777795 /nfs/dbraw/zinc/77/77/95/919777795.db2.gz VHNOHRWXUANDAR-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001368808084 919778071 /nfs/dbraw/zinc/77/80/71/919778071.db2.gz YJQSINVFTFXPOG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001368808084 919778083 /nfs/dbraw/zinc/77/80/83/919778083.db2.gz YJQSINVFTFXPOG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001368829804 919778542 /nfs/dbraw/zinc/77/85/42/919778542.db2.gz PBACXHIJEBBUAC-NSHDSACASA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH2+]Cc1nncn1C ZINC001368857019 919781734 /nfs/dbraw/zinc/78/17/34/919781734.db2.gz BLICCVCHMUXZAS-GHMZBOCLSA-N 1 1 323.401 -1.770 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001368931214 919784740 /nfs/dbraw/zinc/78/47/40/919784740.db2.gz KQRYMHNTFHLXQJ-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368935923 919785642 /nfs/dbraw/zinc/78/56/42/919785642.db2.gz ZGVKEHFVPWTJEM-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368935923 919785659 /nfs/dbraw/zinc/78/56/59/919785659.db2.gz ZGVKEHFVPWTJEM-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001368932143 919786821 /nfs/dbraw/zinc/78/68/21/919786821.db2.gz QSGFNYHEFWEYLF-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001368931210 919786884 /nfs/dbraw/zinc/78/68/84/919786884.db2.gz KQRYMHNTFHLXQJ-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1cnnc1C[NH2+]C1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001368921272 919787088 /nfs/dbraw/zinc/78/70/88/919787088.db2.gz QWMOMUKIZYEJIN-UHFFFAOYSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368930232 919787412 /nfs/dbraw/zinc/78/74/12/919787412.db2.gz BVUBQPXRAYBABB-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368930232 919787422 /nfs/dbraw/zinc/78/74/22/919787422.db2.gz BVUBQPXRAYBABB-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)CC(=O)NC(N)=O ZINC001368969250 919789370 /nfs/dbraw/zinc/78/93/70/919789370.db2.gz UWPWGKCKJSRLBW-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001368962209 919790374 /nfs/dbraw/zinc/79/03/74/919790374.db2.gz PMUHTUFYEAWNSA-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001368962209 919790384 /nfs/dbraw/zinc/79/03/84/919790384.db2.gz PMUHTUFYEAWNSA-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1CCNC1=O ZINC001368938173 919790575 /nfs/dbraw/zinc/79/05/75/919790575.db2.gz FRURPPZTXCLZRD-JTQLQIEISA-N 1 1 310.362 -1.865 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)[N@H+](C)CC(=O)NC(N)=O ZINC001368967391 919790603 /nfs/dbraw/zinc/79/06/03/919790603.db2.gz WKYDFNPPFJEUIG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001368967391 919790621 /nfs/dbraw/zinc/79/06/21/919790621.db2.gz WKYDFNPPFJEUIG-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001369002074 919795610 /nfs/dbraw/zinc/79/56/10/919795610.db2.gz GDFASRUWAGPADX-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001369002074 919795624 /nfs/dbraw/zinc/79/56/24/919795624.db2.gz GDFASRUWAGPADX-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001369000122 919796086 /nfs/dbraw/zinc/79/60/86/919796086.db2.gz KULQYEMFNCZFGZ-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001369000119 919796849 /nfs/dbraw/zinc/79/68/49/919796849.db2.gz KULQYEMFNCZFGZ-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001369000125 919797086 /nfs/dbraw/zinc/79/70/86/919797086.db2.gz KULQYEMFNCZFGZ-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001369030967 919804862 /nfs/dbraw/zinc/80/48/62/919804862.db2.gz HPCYBGXCXDTABM-UHFFFAOYSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H](NC(=O)CNC(=O)C1CC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001369082634 919813022 /nfs/dbraw/zinc/81/30/22/919813022.db2.gz VAGUMOIDSMUITN-CABZTGNLSA-N 1 1 308.382 -1.162 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C)C(N)=O ZINC001369111230 919814659 /nfs/dbraw/zinc/81/46/59/919814659.db2.gz FTLFJRUTWBDONP-WDEREUQCSA-N 1 1 314.386 -1.815 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](C[C@H](C)O)CCO2 ZINC001369110362 919814856 /nfs/dbraw/zinc/81/48/56/919814856.db2.gz LSBZUVVQBFFHMO-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@H](C)O)CCO2 ZINC001369110362 919814869 /nfs/dbraw/zinc/81/48/69/919814869.db2.gz LSBZUVVQBFFHMO-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001369097279 919815092 /nfs/dbraw/zinc/81/50/92/919815092.db2.gz IJGBFUZXWCSQBB-MNOVXSKESA-N 1 1 323.401 -1.024 20 0 DAADMO COCC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@@H](O)COC)CCO2 ZINC001369106615 919815317 /nfs/dbraw/zinc/81/53/17/919815317.db2.gz CHOSTDYPNWVTMV-OCCSQVGLSA-N 1 1 302.371 -1.057 20 0 DAADMO COCC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@@H](O)COC)CCO2 ZINC001369106615 919815327 /nfs/dbraw/zinc/81/53/27/919815327.db2.gz CHOSTDYPNWVTMV-OCCSQVGLSA-N 1 1 302.371 -1.057 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@@H](C)O)CCO2 ZINC001369110360 919815439 /nfs/dbraw/zinc/81/54/39/919815439.db2.gz LSBZUVVQBFFHMO-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@@H](C)O)CCO2 ZINC001369110360 919815453 /nfs/dbraw/zinc/81/54/53/919815453.db2.gz LSBZUVVQBFFHMO-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104270 919815858 /nfs/dbraw/zinc/81/58/58/919815858.db2.gz BCLQHISHVANUJO-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104270 919815866 /nfs/dbraw/zinc/81/58/66/919815866.db2.gz BCLQHISHVANUJO-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001369097288 919816021 /nfs/dbraw/zinc/81/60/21/919816021.db2.gz IJGBFUZXWCSQBB-WDEREUQCSA-N 1 1 323.401 -1.024 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001369126648 919817678 /nfs/dbraw/zinc/81/76/78/919817678.db2.gz IKOFFLHTZOVXHU-KKOKHZNYSA-N 1 1 322.365 -1.315 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001369120986 919818332 /nfs/dbraw/zinc/81/83/32/919818332.db2.gz PCMNOGJXIPJOLH-KKOKHZNYSA-N 1 1 324.381 -1.228 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001369128291 919818753 /nfs/dbraw/zinc/81/87/53/919818753.db2.gz BQEIHRNQMAQSHK-ZDEQEGDKSA-N 1 1 323.397 -1.353 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001369133876 919820039 /nfs/dbraw/zinc/82/00/39/919820039.db2.gz LTQUXCGIRAEYKQ-KKOKHZNYSA-N 1 1 309.370 -1.270 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001369142673 919820753 /nfs/dbraw/zinc/82/07/53/919820753.db2.gz WLRWNIJDPZEGRW-KKOKHZNYSA-N 1 1 321.385 -1.508 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001369144484 919820962 /nfs/dbraw/zinc/82/09/62/919820962.db2.gz CDCSUWJORGCMCZ-WCBMZHEXSA-N 1 1 310.358 -1.322 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001369144486 919821093 /nfs/dbraw/zinc/82/10/93/919821093.db2.gz CDCSUWJORGCMCZ-WPRPVWTQSA-N 1 1 310.358 -1.322 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001369144483 919821233 /nfs/dbraw/zinc/82/12/33/919821233.db2.gz CDCSUWJORGCMCZ-SCZZXKLOSA-N 1 1 310.358 -1.322 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369137950 919821415 /nfs/dbraw/zinc/82/14/15/919821415.db2.gz WMLZLVAENJEMHJ-XYYAHUGASA-N 1 1 311.382 -1.478 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cccn3)[C@@H]2C1 ZINC001369134028 919821615 /nfs/dbraw/zinc/82/16/15/919821615.db2.gz ZDWNTLBKLYQXRP-RTCCRHLQSA-N 1 1 320.353 -1.628 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001369176475 919827318 /nfs/dbraw/zinc/82/73/18/919827318.db2.gz BYMJNZYBTULZCJ-AVGNSLFASA-N 1 1 312.414 -1.076 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001369167021 919827445 /nfs/dbraw/zinc/82/74/45/919827445.db2.gz XMOAHCABNRMIPI-FIQHERPVSA-N 1 1 314.386 -1.654 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001369190663 919828532 /nfs/dbraw/zinc/82/85/32/919828532.db2.gz MLCBKINPFRYMEF-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001369250343 919834049 /nfs/dbraw/zinc/83/40/49/919834049.db2.gz IHCYSFLLRKRKSK-VIFPVBQESA-N 1 1 320.357 -1.446 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccon1 ZINC001369263428 919835164 /nfs/dbraw/zinc/83/51/64/919835164.db2.gz GXCDSRVKUMAICT-VIFPVBQESA-N 1 1 319.387 -1.335 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001369277965 919835274 /nfs/dbraw/zinc/83/52/74/919835274.db2.gz HYWJFJHPLQOFSB-IUCAKERBSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001369277963 919835340 /nfs/dbraw/zinc/83/53/40/919835340.db2.gz HYWJFJHPLQOFSB-BDAKNGLRSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001369250342 919835583 /nfs/dbraw/zinc/83/55/83/919835583.db2.gz IHCYSFLLRKRKSK-SECBINFHSA-N 1 1 320.357 -1.446 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001369268019 919836383 /nfs/dbraw/zinc/83/63/83/919836383.db2.gz CVWHEADUTHBMDB-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ncnn1C ZINC001369294201 919838882 /nfs/dbraw/zinc/83/88/82/919838882.db2.gz SBMNDLUFBBLKEX-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001369291673 919839958 /nfs/dbraw/zinc/83/99/58/919839958.db2.gz CNTJGCAVEGLGGE-JTQLQIEISA-N 1 1 308.338 -1.189 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCNC(N)=O)c1nnnn1C ZINC001369284994 919840303 /nfs/dbraw/zinc/84/03/03/919840303.db2.gz BPXFVXZXUBYAKD-DTWKUNHWSA-N 1 1 312.378 -1.234 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CN1CCCC1=O ZINC001369307657 919841400 /nfs/dbraw/zinc/84/14/00/919841400.db2.gz GIDUHKNGRRXKSK-JTQLQIEISA-N 1 1 310.358 -1.996 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1COCCO1 ZINC001369305579 919842799 /nfs/dbraw/zinc/84/27/99/919842799.db2.gz IOFXIIJNGBLFHW-JSGCOSHPSA-N 1 1 324.381 -1.189 20 0 DAADMO CCCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001369312612 919845145 /nfs/dbraw/zinc/84/51/45/919845145.db2.gz WFWRIFXQIKYCCG-JTQLQIEISA-N 1 1 300.359 -2.188 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2nncs2)C1 ZINC001369314076 919846826 /nfs/dbraw/zinc/84/68/26/919846826.db2.gz QFFOFUHKTJDYQA-NXEZZACHSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2nncs2)C1 ZINC001369314076 919846839 /nfs/dbraw/zinc/84/68/39/919846839.db2.gz QFFOFUHKTJDYQA-NXEZZACHSA-N 1 1 315.399 -1.565 20 0 DAADMO CCCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001369312613 919847631 /nfs/dbraw/zinc/84/76/31/919847631.db2.gz WFWRIFXQIKYCCG-SNVBAGLBSA-N 1 1 300.359 -2.188 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CCn2cncn2)nn1C ZINC001369315684 919849123 /nfs/dbraw/zinc/84/91/23/919849123.db2.gz TVJPOKQIKUIFJC-ZDUSSCGKSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)CCC2 ZINC001369320735 919855119 /nfs/dbraw/zinc/85/51/19/919855119.db2.gz CUBPSNVYCYYJBW-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001369322505 919856074 /nfs/dbraw/zinc/85/60/74/919856074.db2.gz MRIUJLWMVJDTHZ-ONGXEEELSA-N 1 1 312.326 -1.033 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001369326189 919861911 /nfs/dbraw/zinc/86/19/11/919861911.db2.gz CSQFKDJNRYOKSW-GFCCVEGCSA-N 1 1 324.385 -1.329 20 0 DAADMO Cn1nncc1CN[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001369325409 919862072 /nfs/dbraw/zinc/86/20/72/919862072.db2.gz RFLABYQTLYQYQW-LLVKDONJSA-N 1 1 310.402 -1.134 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NCC(=O)N1CCC1)C1CCC1 ZINC001369326267 919862278 /nfs/dbraw/zinc/86/22/78/919862278.db2.gz TXPOYHUKCDEFEM-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)N1CCC1)C1CCC1 ZINC001369326267 919862290 /nfs/dbraw/zinc/86/22/90/919862290.db2.gz TXPOYHUKCDEFEM-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001369330771 919863616 /nfs/dbraw/zinc/86/36/16/919863616.db2.gz GBWNOFAILOZGGR-MWLCHTKSSA-N 1 1 319.383 -1.017 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001369330674 919863807 /nfs/dbraw/zinc/86/38/07/919863807.db2.gz XWANETHCAWKWRO-KBPBESRZSA-N 1 1 324.425 -1.373 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)NC(N)=O ZINC001369331063 919864804 /nfs/dbraw/zinc/86/48/04/919864804.db2.gz DWZNQYDXHUZYEJ-UWVGGRQHSA-N 1 1 312.374 -1.566 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001369330767 919865058 /nfs/dbraw/zinc/86/50/58/919865058.db2.gz GBWNOFAILOZGGR-KOLCDFICSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001369328840 919865271 /nfs/dbraw/zinc/86/52/71/919865271.db2.gz HNZYRLCMLICEHA-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1C ZINC001369334433 919867007 /nfs/dbraw/zinc/86/70/07/919867007.db2.gz HAKIROAXERYRHX-MNOVXSKESA-N 1 1 310.358 -2.023 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001369332483 919867613 /nfs/dbraw/zinc/86/76/13/919867613.db2.gz NKCYEWYCNSXYQZ-GXSJLCMTSA-N 1 1 312.326 -1.088 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001369333987 919867734 /nfs/dbraw/zinc/86/77/34/919867734.db2.gz HFQACRGEDLFZAI-YPMHNXCESA-N 1 1 323.397 -1.145 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nn1C ZINC001369334412 919869924 /nfs/dbraw/zinc/86/99/24/919869924.db2.gz HAKIROAXERYRHX-GHMZBOCLSA-N 1 1 310.358 -2.023 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@H]1CNC(=O)N1 ZINC001369334823 919871951 /nfs/dbraw/zinc/87/19/51/919871951.db2.gz IBXOBLGJZRDEFU-POYBYMJQSA-N 1 1 300.344 -2.214 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001369338894 919875106 /nfs/dbraw/zinc/87/51/06/919875106.db2.gz NDLNXFMXIINLMX-VIFPVBQESA-N 1 1 319.387 -2.184 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001369340962 919877942 /nfs/dbraw/zinc/87/79/42/919877942.db2.gz IMENBCCGIYBDFR-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001369342947 919878591 /nfs/dbraw/zinc/87/85/91/919878591.db2.gz TUQPZKLKPBQVLX-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369349217 919886945 /nfs/dbraw/zinc/88/69/45/919886945.db2.gz DSQSXXPEMGQZOK-QWRGUYRKSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001369349232 919887568 /nfs/dbraw/zinc/88/75/68/919887568.db2.gz DSQSXXPEMGQZOK-WDEREUQCSA-N 1 1 311.342 -1.427 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)N1CCCC1 ZINC001369352661 919891616 /nfs/dbraw/zinc/89/16/16/919891616.db2.gz LPYLQUSSVLRHDP-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001369360728 919893546 /nfs/dbraw/zinc/89/35/46/919893546.db2.gz HSISXCCWXUQMMT-SECBINFHSA-N 1 1 311.371 -1.213 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001369360348 919893669 /nfs/dbraw/zinc/89/36/69/919893669.db2.gz GRZVVHCWOUVPKE-KOLCDFICSA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001369360509 919895476 /nfs/dbraw/zinc/89/54/76/919895476.db2.gz IALPYPOYZCLNMX-YGRLFVJLSA-N 1 1 318.393 -1.249 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001369360509 919895484 /nfs/dbraw/zinc/89/54/84/919895484.db2.gz IALPYPOYZCLNMX-YGRLFVJLSA-N 1 1 318.393 -1.249 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)cn1 ZINC001369356208 919895536 /nfs/dbraw/zinc/89/55/36/919895536.db2.gz VXXNXJBUCRAXDA-CHWSQXEVSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)ncn1 ZINC001369361265 919899207 /nfs/dbraw/zinc/89/92/07/919899207.db2.gz IQTHHMRVUQNZNU-TUAOUCFPSA-N 1 1 307.354 -1.527 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001369364118 919899361 /nfs/dbraw/zinc/89/93/61/919899361.db2.gz MTGTVPUYUULGIA-MXWKQRLJSA-N 1 1 323.353 -1.827 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001369365383 919901622 /nfs/dbraw/zinc/90/16/22/919901622.db2.gz QTJXNLLLSHLXOB-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001369365383 919901633 /nfs/dbraw/zinc/90/16/33/919901633.db2.gz QTJXNLLLSHLXOB-IUCAKERBSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001369366624 919902286 /nfs/dbraw/zinc/90/22/86/919902286.db2.gz RZXDAAICHFMCGE-MNOVXSKESA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001369366628 919903292 /nfs/dbraw/zinc/90/32/92/919903292.db2.gz RZXDAAICHFMCGE-WDEREUQCSA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001369366858 919904709 /nfs/dbraw/zinc/90/47/09/919904709.db2.gz WEOUXLNAPBUEIX-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001369366858 919904717 /nfs/dbraw/zinc/90/47/17/919904717.db2.gz WEOUXLNAPBUEIX-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]CCN1CCCC1=O ZINC001369380122 919914068 /nfs/dbraw/zinc/91/40/68/919914068.db2.gz LZYQIRNHGBGFKD-JTQLQIEISA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369382569 919916703 /nfs/dbraw/zinc/91/67/03/919916703.db2.gz RYCBWSPCTIIFGO-WDEREUQCSA-N 1 1 324.385 -1.670 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001369383988 919919265 /nfs/dbraw/zinc/91/92/65/919919265.db2.gz RLHYDMBZGSZNKI-MNOVXSKESA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1ncnn1C ZINC001369384246 919919673 /nfs/dbraw/zinc/91/96/73/919919673.db2.gz OXKUHLSRENXZRQ-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001369405838 919921411 /nfs/dbraw/zinc/92/14/11/919921411.db2.gz RWGOIGHISWRTKA-IUCAKERBSA-N 1 1 310.362 -1.782 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CCO ZINC001369421936 919923395 /nfs/dbraw/zinc/92/33/95/919923395.db2.gz DMXUJLIAEUCCQS-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001369401383 919923443 /nfs/dbraw/zinc/92/34/43/919923443.db2.gz FHACJSDUDUZXSJ-YRGRVCCFSA-N 1 1 324.385 -1.206 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cn1cccn1 ZINC001369444763 919924924 /nfs/dbraw/zinc/92/49/24/919924924.db2.gz OHJBBOPIDGRIQG-SNVBAGLBSA-N 1 1 308.346 -1.984 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001369436936 919925296 /nfs/dbraw/zinc/92/52/96/919925296.db2.gz FFJJIUWWYYQUBP-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)c(C)o1 ZINC001369436508 919926913 /nfs/dbraw/zinc/92/69/13/919926913.db2.gz DLIPMWFSTMUMNO-LLVKDONJSA-N 1 1 323.357 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)[C@H]1C ZINC001369439550 919927052 /nfs/dbraw/zinc/92/70/52/919927052.db2.gz UFINZHBEQKISFD-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)c1 ZINC001369445128 919927292 /nfs/dbraw/zinc/92/72/92/919927292.db2.gz PMEFKTJJLTVXKS-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ccon1 ZINC001369451755 919928875 /nfs/dbraw/zinc/92/88/75/919928875.db2.gz QRPQLZSTXOQHQA-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001369450645 919929197 /nfs/dbraw/zinc/92/91/97/919929197.db2.gz MJWZLBGENPDHLX-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cn[nH]c1 ZINC001369449761 919931284 /nfs/dbraw/zinc/93/12/84/919931284.db2.gz ODBFLORAZZWCHW-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001369455136 919933644 /nfs/dbraw/zinc/93/36/44/919933644.db2.gz NDSIRKLKVZJPAV-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001369454804 919934591 /nfs/dbraw/zinc/93/45/91/919934591.db2.gz YBTBNGBTLPALGD-WDEREUQCSA-N 1 1 324.385 -1.515 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1COCCO1 ZINC001369454118 919935488 /nfs/dbraw/zinc/93/54/88/919935488.db2.gz XHOFSKMJMWNOOU-NXEZZACHSA-N 1 1 316.383 -1.138 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001369460012 919940724 /nfs/dbraw/zinc/94/07/24/919940724.db2.gz ICTDUCLOEFHWKZ-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ncn(C)n1 ZINC001369461440 919940829 /nfs/dbraw/zinc/94/08/29/919940829.db2.gz PSCBVGIAAGQSDM-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nonc2C)[nH]1 ZINC001369462267 919941785 /nfs/dbraw/zinc/94/17/85/919941785.db2.gz VLDFSHXOGCWMTO-JTQLQIEISA-N 1 1 323.357 -1.044 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CO[C@@H]1CCOC1 ZINC001369466515 919946182 /nfs/dbraw/zinc/94/61/82/919946182.db2.gz JRXAQMUIYYNKRF-NWDGAFQWSA-N 1 1 314.342 -1.216 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001369468272 919946558 /nfs/dbraw/zinc/94/65/58/919946558.db2.gz JUQDNQJDWRXACG-VHSXEESVSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnoc1)c1nnnn1C ZINC001369474020 919948601 /nfs/dbraw/zinc/94/86/01/919948601.db2.gz VXXXMUIJTOJWNN-MWLCHTKSSA-N 1 1 323.357 -1.089 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccn(C)n1 ZINC001369479551 919951630 /nfs/dbraw/zinc/95/16/30/919951630.db2.gz FSJMISPIRIDXMN-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001369480719 919952273 /nfs/dbraw/zinc/95/22/73/919952273.db2.gz DVWHRQAPYHADJK-NXEZZACHSA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1nnc[nH]1 ZINC001369479892 919952999 /nfs/dbraw/zinc/95/29/99/919952999.db2.gz MERSUEGZYMPNQP-SECBINFHSA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCCC(=O)N1 ZINC001369477470 919953382 /nfs/dbraw/zinc/95/33/82/919953382.db2.gz JHADBSJRROGZEJ-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)N1 ZINC001369478453 919954883 /nfs/dbraw/zinc/95/48/83/919954883.db2.gz AHQBZOPGDZIBNN-MNOVXSKESA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)NC1 ZINC001369480343 919954995 /nfs/dbraw/zinc/95/49/95/919954995.db2.gz YTZBDXBVFJSYDZ-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001369480820 919956082 /nfs/dbraw/zinc/95/60/82/919956082.db2.gz GALPSRHILKNRGP-ZJUUUORDSA-N 1 1 316.358 -1.845 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001369484587 919958081 /nfs/dbraw/zinc/95/80/81/919958081.db2.gz BSZWPJHWMIUHQC-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)[nH]1 ZINC001369482583 919958194 /nfs/dbraw/zinc/95/81/94/919958194.db2.gz KZFBRYDQYMVACZ-GXSJLCMTSA-N 1 1 322.373 -1.125 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn(C)c(=O)[nH]2)[nH]1 ZINC001369483675 919959175 /nfs/dbraw/zinc/95/91/75/919959175.db2.gz LHZWSVRBRLHCPN-SECBINFHSA-N 1 1 323.357 -1.225 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001369489669 919960679 /nfs/dbraw/zinc/96/06/79/919960679.db2.gz MAHGIJRCZBYXHS-NSHDSACASA-N 1 1 300.359 -1.254 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC001369489669 919960695 /nfs/dbraw/zinc/96/06/95/919960695.db2.gz MAHGIJRCZBYXHS-NSHDSACASA-N 1 1 300.359 -1.254 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)CN1CCCC1 ZINC001369489217 919961496 /nfs/dbraw/zinc/96/14/96/919961496.db2.gz YZLLSDZGIHAVCD-ZDUSSCGKSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001369488883 919961629 /nfs/dbraw/zinc/96/16/29/919961629.db2.gz KNDVLIMFRLGIAZ-UWVGGRQHSA-N 1 1 302.375 -1.008 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001369490705 919962531 /nfs/dbraw/zinc/96/25/31/919962531.db2.gz RYXDVGYEOLRAPO-QMMMGPOBSA-N 1 1 324.328 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001369490705 919962538 /nfs/dbraw/zinc/96/25/38/919962538.db2.gz RYXDVGYEOLRAPO-QMMMGPOBSA-N 1 1 324.328 -1.152 20 0 DAADMO CN(C[C@@H](O)CNCc1ncnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369489306 919962683 /nfs/dbraw/zinc/96/26/83/919962683.db2.gz ZNJRTWUZKPPOCD-RYUDHWBXSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1c[nH]c(=O)cn1 ZINC001369490416 919963106 /nfs/dbraw/zinc/96/31/06/919963106.db2.gz YUTJSDVVOMWTCU-SECBINFHSA-N 1 1 308.298 -1.624 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001369497072 919964239 /nfs/dbraw/zinc/96/42/39/919964239.db2.gz OLYFXIXULIHSTC-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491873 919964725 /nfs/dbraw/zinc/96/47/25/919964725.db2.gz BQVDVUMIXSJKJS-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491873 919964744 /nfs/dbraw/zinc/96/47/44/919964744.db2.gz BQVDVUMIXSJKJS-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001369494925 919965158 /nfs/dbraw/zinc/96/51/58/919965158.db2.gz KPHSBYCPVAWWSU-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001369495569 919965260 /nfs/dbraw/zinc/96/52/60/919965260.db2.gz PAADBOSWYKCHMH-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1cc[nH]n1 ZINC001369499156 919966337 /nfs/dbraw/zinc/96/63/37/919966337.db2.gz QJIUOAIEKIAGBO-QWHCGFSZSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499156 919966362 /nfs/dbraw/zinc/96/63/62/919966362.db2.gz QJIUOAIEKIAGBO-QWHCGFSZSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499156 919966373 /nfs/dbraw/zinc/96/63/73/919966373.db2.gz QJIUOAIEKIAGBO-QWHCGFSZSA-N 1 1 323.397 -1.066 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001369497546 919966684 /nfs/dbraw/zinc/96/66/84/919966684.db2.gz POABJIANLAWPNU-ZJUUUORDSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001369495567 919967190 /nfs/dbraw/zinc/96/71/90/919967190.db2.gz PAADBOSWYKCHMH-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498426 919967796 /nfs/dbraw/zinc/96/77/96/919967796.db2.gz YEHIBVYOQJKBBU-QWRGUYRKSA-N 1 1 317.386 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498426 919967808 /nfs/dbraw/zinc/96/78/08/919967808.db2.gz YEHIBVYOQJKBBU-QWRGUYRKSA-N 1 1 317.386 -1.236 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001369493019 919968718 /nfs/dbraw/zinc/96/87/18/919968718.db2.gz GRBSQJDOHQQDOT-WDEREUQCSA-N 1 1 301.387 -1.213 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369506188 919969795 /nfs/dbraw/zinc/96/97/95/919969795.db2.gz PGJUANDORMNSOG-QWHCGFSZSA-N 1 1 314.430 -1.175 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1cc[nH]n1 ZINC001369499165 919970268 /nfs/dbraw/zinc/97/02/68/919970268.db2.gz QJIUOAIEKIAGBO-STQMWFEESA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499165 919970295 /nfs/dbraw/zinc/97/02/95/919970295.db2.gz QJIUOAIEKIAGBO-STQMWFEESA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499165 919970311 /nfs/dbraw/zinc/97/03/11/919970311.db2.gz QJIUOAIEKIAGBO-STQMWFEESA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)c1nnn(C)n1 ZINC001369507260 919970403 /nfs/dbraw/zinc/97/04/03/919970403.db2.gz VRAOXEWTPDNOLN-NSHDSACASA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)c1nnn(C)n1 ZINC001369507260 919970418 /nfs/dbraw/zinc/97/04/18/919970418.db2.gz VRAOXEWTPDNOLN-NSHDSACASA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001369502357 919971800 /nfs/dbraw/zinc/97/18/00/919971800.db2.gz FQIBHUMQSVDHII-FRRDWIJNSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001369502357 919971811 /nfs/dbraw/zinc/97/18/11/919971811.db2.gz FQIBHUMQSVDHII-FRRDWIJNSA-N 1 1 323.397 -1.240 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369506185 919972171 /nfs/dbraw/zinc/97/21/71/919972171.db2.gz PGJUANDORMNSOG-OLZOCXBDSA-N 1 1 314.430 -1.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503048 919972304 /nfs/dbraw/zinc/97/23/04/919972304.db2.gz FNOFHFDDCMDXQR-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503048 919972314 /nfs/dbraw/zinc/97/23/14/919972314.db2.gz FNOFHFDDCMDXQR-JQWIXIFHSA-N 1 1 311.386 -1.413 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001369503968 919972709 /nfs/dbraw/zinc/97/27/09/919972709.db2.gz JLRSCRBOOCJHMV-OUAUKWLOSA-N 1 1 314.386 -1.876 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001369503968 919972720 /nfs/dbraw/zinc/97/27/20/919972720.db2.gz JLRSCRBOOCJHMV-OUAUKWLOSA-N 1 1 314.386 -1.876 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001369502924 919972808 /nfs/dbraw/zinc/97/28/08/919972808.db2.gz FDGYBMDQJZFJQH-UWVGGRQHSA-N 1 1 312.374 -1.556 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502034 919973139 /nfs/dbraw/zinc/97/31/39/919973139.db2.gz CPQAMLIYFZSQJZ-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502034 919973151 /nfs/dbraw/zinc/97/31/51/919973151.db2.gz CPQAMLIYFZSQJZ-ZJUUUORDSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001369499922 919973428 /nfs/dbraw/zinc/97/34/28/919973428.db2.gz ZLKMPPLIWMCIAB-QWRGUYRKSA-N 1 1 313.354 -1.486 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502026 919974471 /nfs/dbraw/zinc/97/44/71/919974471.db2.gz CPQAMLIYFZSQJZ-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502026 919974480 /nfs/dbraw/zinc/97/44/80/919974480.db2.gz CPQAMLIYFZSQJZ-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001369504586 919974682 /nfs/dbraw/zinc/97/46/82/919974682.db2.gz GPIVIQPRUAFNMP-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001369504586 919974690 /nfs/dbraw/zinc/97/46/90/919974690.db2.gz GPIVIQPRUAFNMP-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001369502494 919974811 /nfs/dbraw/zinc/97/48/11/919974811.db2.gz DDYCNRQUROYXTL-ZDUSSCGKSA-N 1 1 314.430 -1.080 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001369514726 919975873 /nfs/dbraw/zinc/97/58/73/919975873.db2.gz LNNNNKMUFSLVQQ-ONGXEEELSA-N 1 1 312.370 -1.141 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001369514714 919976210 /nfs/dbraw/zinc/97/62/10/919976210.db2.gz LNNNNKMUFSLVQQ-GXSJLCMTSA-N 1 1 312.370 -1.141 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cnccn1 ZINC001369510656 919976274 /nfs/dbraw/zinc/97/62/74/919976274.db2.gz GFUOSJAFQXTSFO-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cnccn1 ZINC001369510656 919976287 /nfs/dbraw/zinc/97/62/87/919976287.db2.gz GFUOSJAFQXTSFO-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512819 919976410 /nfs/dbraw/zinc/97/64/10/919976410.db2.gz YADYDGOMSVBXEQ-GXSJLCMTSA-N 1 1 308.400 -1.837 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512819 919976415 /nfs/dbraw/zinc/97/64/15/919976415.db2.gz YADYDGOMSVBXEQ-GXSJLCMTSA-N 1 1 308.400 -1.837 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1csnn1 ZINC001369507983 919976843 /nfs/dbraw/zinc/97/68/43/919976843.db2.gz XBFYGNQSJGGYOI-WCBMZHEXSA-N 1 1 313.383 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCN(C)C1=O ZINC001369510489 919977935 /nfs/dbraw/zinc/97/79/35/919977935.db2.gz PZPNKHPEGFPDCR-RYUDHWBXSA-N 1 1 301.387 -1.402 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512840 919978007 /nfs/dbraw/zinc/97/80/07/919978007.db2.gz YADYDGOMSVBXEQ-ONGXEEELSA-N 1 1 308.400 -1.837 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512840 919978016 /nfs/dbraw/zinc/97/80/16/919978016.db2.gz YADYDGOMSVBXEQ-ONGXEEELSA-N 1 1 308.400 -1.837 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001369513107 919978167 /nfs/dbraw/zinc/97/81/67/919978167.db2.gz VIPYZKGQKNQLLB-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001369513107 919978174 /nfs/dbraw/zinc/97/81/74/919978174.db2.gz VIPYZKGQKNQLLB-JTQLQIEISA-N 1 1 309.370 -1.321 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC001369511728 919979186 /nfs/dbraw/zinc/97/91/86/919979186.db2.gz VGUHNBWGLLZZRX-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001369512461 919979390 /nfs/dbraw/zinc/97/93/90/919979390.db2.gz UJLUOMIZWXIGKU-SECBINFHSA-N 1 1 313.358 -1.764 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001369512461 919979400 /nfs/dbraw/zinc/97/94/00/919979400.db2.gz UJLUOMIZWXIGKU-SECBINFHSA-N 1 1 313.358 -1.764 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCN(C)C1=O ZINC001369510488 919979421 /nfs/dbraw/zinc/97/94/21/919979421.db2.gz PZPNKHPEGFPDCR-NWDGAFQWSA-N 1 1 301.387 -1.402 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)C(N)=O ZINC001369548685 919980914 /nfs/dbraw/zinc/98/09/14/919980914.db2.gz ICBHYAJHENBAIC-VXGBXAGGSA-N 1 1 316.402 -1.745 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)C(N)=O ZINC001369548685 919980927 /nfs/dbraw/zinc/98/09/27/919980927.db2.gz ICBHYAJHENBAIC-VXGBXAGGSA-N 1 1 316.402 -1.745 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001369518076 919981096 /nfs/dbraw/zinc/98/10/96/919981096.db2.gz BCDGTDZBXUFUKT-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001369518076 919981105 /nfs/dbraw/zinc/98/11/05/919981105.db2.gz BCDGTDZBXUFUKT-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CCc1ncncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001369515820 919981934 /nfs/dbraw/zinc/98/19/34/919981934.db2.gz OOZRXMZZLHWMIU-JTQLQIEISA-N 1 1 309.370 -1.111 20 0 DAADMO CCc1ncncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001369515820 919981950 /nfs/dbraw/zinc/98/19/50/919981950.db2.gz OOZRXMZZLHWMIU-JTQLQIEISA-N 1 1 309.370 -1.111 20 0 DAADMO CCc1ncncc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001369515823 919982278 /nfs/dbraw/zinc/98/22/78/919982278.db2.gz OOZRXMZZLHWMIU-SNVBAGLBSA-N 1 1 309.370 -1.111 20 0 DAADMO CCc1ncncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001369515823 919982290 /nfs/dbraw/zinc/98/22/90/919982290.db2.gz OOZRXMZZLHWMIU-SNVBAGLBSA-N 1 1 309.370 -1.111 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001369527694 919983015 /nfs/dbraw/zinc/98/30/15/919983015.db2.gz OQUMAUPAMXGOST-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC001369516012 919983361 /nfs/dbraw/zinc/98/33/61/919983361.db2.gz PQHOZTABOSSHLT-NSHDSACASA-N 1 1 309.432 -1.057 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001369521843 919983802 /nfs/dbraw/zinc/98/38/02/919983802.db2.gz YBRUVXBRNLHDIC-ZJUUUORDSA-N 1 1 302.331 -1.558 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001369516607 919984157 /nfs/dbraw/zinc/98/41/57/919984157.db2.gz RYVXNNSYGYIOOW-SNVBAGLBSA-N 1 1 312.374 -1.464 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCN(C)C1=O ZINC001369553153 919985905 /nfs/dbraw/zinc/98/59/05/919985905.db2.gz FTZFEWIZAILVSW-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@H]1CCN(C)C1=O ZINC001369553153 919985914 /nfs/dbraw/zinc/98/59/14/919985914.db2.gz FTZFEWIZAILVSW-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@H]1CCN(C)C1=O ZINC001369552430 919986244 /nfs/dbraw/zinc/98/62/44/919986244.db2.gz QNXQWPWFSBVFMV-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@H]1CCN(C)C1=O ZINC001369552430 919986247 /nfs/dbraw/zinc/98/62/47/919986247.db2.gz QNXQWPWFSBVFMV-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnon1)[C@H]1CCN(C)C1=O ZINC001369554166 919986617 /nfs/dbraw/zinc/98/66/17/919986617.db2.gz GZIQEWQUNIUJAA-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnon1)[C@H]1CCN(C)C1=O ZINC001369554166 919986625 /nfs/dbraw/zinc/98/66/25/919986625.db2.gz GZIQEWQUNIUJAA-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001369781182 919999032 /nfs/dbraw/zinc/99/90/32/919999032.db2.gz BZJWWKAFYHLOOK-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001369858627 920004500 /nfs/dbraw/zinc/00/45/00/920004500.db2.gz DLKQXKDITWHSSE-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369855797 920004604 /nfs/dbraw/zinc/00/46/04/920004604.db2.gz RMCFLRVHMLULBS-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN([C@@H]2CCNC2=O)CC1 ZINC001369887388 920009179 /nfs/dbraw/zinc/00/91/79/920009179.db2.gz JTDMHPLPCIZJEG-ZIAGYGMSSA-N 1 1 323.441 -1.297 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCN1CC[NH+](CCCO)CC1 ZINC001369900821 920011132 /nfs/dbraw/zinc/01/11/32/920011132.db2.gz QGVLTDUQRGECHX-UHFFFAOYSA-N 1 1 310.402 -1.147 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001369945595 920017569 /nfs/dbraw/zinc/01/75/69/920017569.db2.gz XIPGLZXOYIFCOA-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001369945595 920017588 /nfs/dbraw/zinc/01/75/88/920017588.db2.gz XIPGLZXOYIFCOA-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001369945606 920018925 /nfs/dbraw/zinc/01/89/25/920018925.db2.gz XIPGLZXOYIFCOA-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001369945606 920018943 /nfs/dbraw/zinc/01/89/43/920018943.db2.gz XIPGLZXOYIFCOA-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976909 920020526 /nfs/dbraw/zinc/02/05/26/920020526.db2.gz MSPBODNYPZVZHG-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976909 920020543 /nfs/dbraw/zinc/02/05/43/920020543.db2.gz MSPBODNYPZVZHG-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001369975169 920020777 /nfs/dbraw/zinc/02/07/77/920020777.db2.gz IAADTQHHFKLUTD-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001369975169 920020792 /nfs/dbraw/zinc/02/07/92/920020792.db2.gz IAADTQHHFKLUTD-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369972593 920020826 /nfs/dbraw/zinc/02/08/26/920020826.db2.gz AYZMROZAOQBKMD-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369972593 920020857 /nfs/dbraw/zinc/02/08/57/920020857.db2.gz AYZMROZAOQBKMD-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1)NC(N)=O ZINC001369979912 920026073 /nfs/dbraw/zinc/02/60/73/920026073.db2.gz AWLYQAASDOWDNE-GHMZBOCLSA-N 1 1 309.374 -1.085 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369979213 920026172 /nfs/dbraw/zinc/02/61/72/920026172.db2.gz UMCSVKSJQLIRFK-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001369979213 920026188 /nfs/dbraw/zinc/02/61/88/920026188.db2.gz UMCSVKSJQLIRFK-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993987 920028548 /nfs/dbraw/zinc/02/85/48/920028548.db2.gz FKRIVWPIXHNSQP-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993987 920028563 /nfs/dbraw/zinc/02/85/63/920028563.db2.gz FKRIVWPIXHNSQP-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001369993001 920029017 /nfs/dbraw/zinc/02/90/17/920029017.db2.gz BXJBOSHGXLVHQA-LLVKDONJSA-N 1 1 324.385 -1.703 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001369993001 920029031 /nfs/dbraw/zinc/02/90/31/920029031.db2.gz BXJBOSHGXLVHQA-LLVKDONJSA-N 1 1 324.385 -1.703 20 0 DAADMO CN(C)C(=O)CN1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001370035271 920030509 /nfs/dbraw/zinc/03/05/09/920030509.db2.gz UTRYZDFJBCUMDA-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008447 920031176 /nfs/dbraw/zinc/03/11/76/920031176.db2.gz KXYVUUIIUIJVNT-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008447 920031185 /nfs/dbraw/zinc/03/11/85/920031185.db2.gz KXYVUUIIUIJVNT-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001370035528 920031459 /nfs/dbraw/zinc/03/14/59/920031459.db2.gz SNWFGKZDYJPYBN-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001370008625 920032122 /nfs/dbraw/zinc/03/21/22/920032122.db2.gz WEJKMNBCPCCWBG-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370035720 920032531 /nfs/dbraw/zinc/03/25/31/920032531.db2.gz VGHYWRBQZIRUDF-WDEREUQCSA-N 1 1 309.374 -1.223 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008451 920032650 /nfs/dbraw/zinc/03/26/50/920032650.db2.gz KXYVUUIIUIJVNT-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001370008451 920032669 /nfs/dbraw/zinc/03/26/69/920032669.db2.gz KXYVUUIIUIJVNT-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001370029137 920033682 /nfs/dbraw/zinc/03/36/82/920033682.db2.gz IUKPSHMTMNZWKS-GHMZBOCLSA-N 1 1 310.354 -1.075 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001370035526 920033941 /nfs/dbraw/zinc/03/39/41/920033941.db2.gz SNWFGKZDYJPYBN-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001370037748 920034012 /nfs/dbraw/zinc/03/40/12/920034012.db2.gz XPYMXJWSVUSQMG-UWVGGRQHSA-N 1 1 313.358 -2.697 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001370037748 920034031 /nfs/dbraw/zinc/03/40/31/920034031.db2.gz XPYMXJWSVUSQMG-UWVGGRQHSA-N 1 1 313.358 -2.697 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001370070621 920035612 /nfs/dbraw/zinc/03/56/12/920035612.db2.gz QSZLHOOPZXXXMO-PWSUYJOCSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001370070621 920035626 /nfs/dbraw/zinc/03/56/26/920035626.db2.gz QSZLHOOPZXXXMO-PWSUYJOCSA-N 1 1 306.370 -1.173 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001370067885 920036324 /nfs/dbraw/zinc/03/63/24/920036324.db2.gz VGLNUFRPEQDCOY-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370184629 920041399 /nfs/dbraw/zinc/04/13/99/920041399.db2.gz XSWQPTVLDYCBFI-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](CNC(=O)Cn2ncnn2)C2CC2)n1 ZINC001370170948 920041544 /nfs/dbraw/zinc/04/15/44/920041544.db2.gz FLRRUENAMRFIRG-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001370213180 920043697 /nfs/dbraw/zinc/04/36/97/920043697.db2.gz MYLOLQOOXRQWPA-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001370312250 920047935 /nfs/dbraw/zinc/04/79/35/920047935.db2.gz IYYQGGAGVVLUCL-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001370301385 920048040 /nfs/dbraw/zinc/04/80/40/920048040.db2.gz ZSDSPEGINFGYDW-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001370292261 920049220 /nfs/dbraw/zinc/04/92/20/920049220.db2.gz APSSANICPSGOSI-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001370312240 920049813 /nfs/dbraw/zinc/04/98/13/920049813.db2.gz IYYQGGAGVVLUCL-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)NC(N)=O ZINC001370368039 920050744 /nfs/dbraw/zinc/05/07/44/920050744.db2.gz VJQFQMHUFJCXCV-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001370437295 920054917 /nfs/dbraw/zinc/05/49/17/920054917.db2.gz COBMAZSLGSXUKV-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001370437308 920055021 /nfs/dbraw/zinc/05/50/21/920055021.db2.gz COBMAZSLGSXUKV-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001370494648 920063912 /nfs/dbraw/zinc/06/39/12/920063912.db2.gz OBBIIGZBKDNMHY-MGCOHNPYSA-N 1 1 317.371 -1.535 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001370516767 920064635 /nfs/dbraw/zinc/06/46/35/920064635.db2.gz JTQFJHGHKOHFPQ-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001370590108 920073015 /nfs/dbraw/zinc/07/30/15/920073015.db2.gz JWHNXIRWCDWIPR-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CCOC)C1 ZINC001370631483 920075895 /nfs/dbraw/zinc/07/58/95/920075895.db2.gz BDAMIHAOEIMBJD-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CCOC)C1 ZINC001370631483 920075909 /nfs/dbraw/zinc/07/59/09/920075909.db2.gz BDAMIHAOEIMBJD-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001370650366 920088176 /nfs/dbraw/zinc/08/81/76/920088176.db2.gz MQVHPTISYWTNOL-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001370655608 920089983 /nfs/dbraw/zinc/08/99/83/920089983.db2.gz ZWNPXFSUMKEZLG-GFCCVEGCSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CS(C)(=O)=O)C1 ZINC001370669666 920100054 /nfs/dbraw/zinc/10/00/54/920100054.db2.gz WETNSKLHKKZQAN-NXEZZACHSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccon2)C1 ZINC001370673223 920102254 /nfs/dbraw/zinc/10/22/54/920102254.db2.gz IKLQNVWYDZRDSZ-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccon2)C1 ZINC001370673223 920102263 /nfs/dbraw/zinc/10/22/63/920102263.db2.gz IKLQNVWYDZRDSZ-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1ccnn1C ZINC001370672166 920102860 /nfs/dbraw/zinc/10/28/60/920102860.db2.gz PBKQUEWNMUEFQD-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001370675746 920105886 /nfs/dbraw/zinc/10/58/86/920105886.db2.gz YMGVZVMFIVVJMZ-YPMHNXCESA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001370681247 920113165 /nfs/dbraw/zinc/11/31/65/920113165.db2.gz HXTCKQVEYLEGSG-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370708447 920132686 /nfs/dbraw/zinc/13/26/86/920132686.db2.gz RBIVYIOKMVAJPV-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CS(C)(=O)=O)C1 ZINC001370710839 920136308 /nfs/dbraw/zinc/13/63/08/920136308.db2.gz YZGQLVRRMYNLGB-VHSXEESVSA-N 1 1 321.399 -2.424 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CSC)C1 ZINC001370712840 920138801 /nfs/dbraw/zinc/13/88/01/920138801.db2.gz ADRYUOFZDOJTJD-QWRGUYRKSA-N 1 1 319.427 -1.337 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CSC)C1 ZINC001370712840 920138806 /nfs/dbraw/zinc/13/88/06/920138806.db2.gz ADRYUOFZDOJTJD-QWRGUYRKSA-N 1 1 319.427 -1.337 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001370723747 920141193 /nfs/dbraw/zinc/14/11/93/920141193.db2.gz KNXVPALTSKUIGF-UWVGGRQHSA-N 1 1 311.342 -1.321 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001370726330 920144981 /nfs/dbraw/zinc/14/49/81/920144981.db2.gz CEVOMLYDDVVXNS-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001370736238 920147839 /nfs/dbraw/zinc/14/78/39/920147839.db2.gz XDOWOZBCGYJTDR-NEPJUHHUSA-N 1 1 312.374 -1.491 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001370739105 920150819 /nfs/dbraw/zinc/15/08/19/920150819.db2.gz FUIMEZIZVKUUAC-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001370738715 920151264 /nfs/dbraw/zinc/15/12/64/920151264.db2.gz USICMDHZBAHUIW-ONGXEEELSA-N 1 1 312.374 -1.402 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001370746505 920152964 /nfs/dbraw/zinc/15/29/64/920152964.db2.gz RDACRFGYQJCWSF-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001370749659 920156531 /nfs/dbraw/zinc/15/65/31/920156531.db2.gz VVVDJOHJGONJDV-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749659 920156548 /nfs/dbraw/zinc/15/65/48/920156548.db2.gz VVVDJOHJGONJDV-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749659 920156564 /nfs/dbraw/zinc/15/65/64/920156564.db2.gz VVVDJOHJGONJDV-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001370749115 920157091 /nfs/dbraw/zinc/15/70/91/920157091.db2.gz CMMQBMFZNZYZKE-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001370749656 920158191 /nfs/dbraw/zinc/15/81/91/920158191.db2.gz VVVDJOHJGONJDV-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749656 920158202 /nfs/dbraw/zinc/15/82/02/920158202.db2.gz VVVDJOHJGONJDV-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001370749656 920158209 /nfs/dbraw/zinc/15/82/09/920158209.db2.gz VVVDJOHJGONJDV-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnc[nH]c1=O ZINC001370759670 920161265 /nfs/dbraw/zinc/16/12/65/920161265.db2.gz LDPGLAFNYCVJKF-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(=O)cn1 ZINC001370761172 920161301 /nfs/dbraw/zinc/16/13/01/920161301.db2.gz PJCDZXGKJGAJJZ-GXSJLCMTSA-N 1 1 323.353 -1.929 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001370763173 920162660 /nfs/dbraw/zinc/16/26/60/920162660.db2.gz CEJLUKUCUFMPSN-SECBINFHSA-N 1 1 322.329 -2.378 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ccnnc1 ZINC001370764237 920163468 /nfs/dbraw/zinc/16/34/68/920163468.db2.gz RUHUHFMCRDMWLO-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001370766226 920164834 /nfs/dbraw/zinc/16/48/34/920164834.db2.gz FTWSZONZTNHSNX-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001370767675 920165870 /nfs/dbraw/zinc/16/58/70/920165870.db2.gz AMYVSOFQLDUHQM-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001370767675 920165879 /nfs/dbraw/zinc/16/58/79/920165879.db2.gz AMYVSOFQLDUHQM-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC001370766614 920165984 /nfs/dbraw/zinc/16/59/84/920165984.db2.gz VOLDNFWYMHLSEM-SNVBAGLBSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001370775766 920171612 /nfs/dbraw/zinc/17/16/12/920171612.db2.gz SUTMSGXCVZQXMJ-LLVKDONJSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ccnnc1 ZINC001370798038 920179457 /nfs/dbraw/zinc/17/94/57/920179457.db2.gz ISOQUDJBZVTPSB-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001370795426 920179556 /nfs/dbraw/zinc/17/95/56/920179556.db2.gz DTXUKECHSMORDK-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001370795416 920180846 /nfs/dbraw/zinc/18/08/46/920180846.db2.gz DTXUKECHSMORDK-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC001370862008 920188600 /nfs/dbraw/zinc/18/86/00/920188600.db2.gz LXQXNCGFTNZTJX-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001370854146 920188675 /nfs/dbraw/zinc/18/86/75/920188675.db2.gz SJFMHWXZDHONHV-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001370976213 920202253 /nfs/dbraw/zinc/20/22/53/920202253.db2.gz UCESDSGTLLCCKE-LBELIVKGSA-N 1 1 300.355 -1.545 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001370976208 920202480 /nfs/dbraw/zinc/20/24/80/920202480.db2.gz UCESDSGTLLCCKE-BNDIWNMDSA-N 1 1 300.355 -1.545 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370979793 920204250 /nfs/dbraw/zinc/20/42/50/920204250.db2.gz MHGMPUFPXZOWKM-OLZOCXBDSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370979793 920204270 /nfs/dbraw/zinc/20/42/70/920204270.db2.gz MHGMPUFPXZOWKM-OLZOCXBDSA-N 1 1 324.381 -1.106 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001370988992 920204921 /nfs/dbraw/zinc/20/49/21/920204921.db2.gz KHEBILSRAATHEA-APLZJWDSSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001370988992 920204932 /nfs/dbraw/zinc/20/49/32/920204932.db2.gz KHEBILSRAATHEA-APLZJWDSSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001370988998 920205787 /nfs/dbraw/zinc/20/57/87/920205787.db2.gz KHEBILSRAATHEA-OGBGREFGSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC001370988998 920205798 /nfs/dbraw/zinc/20/57/98/920205798.db2.gz KHEBILSRAATHEA-OGBGREFGSA-N 1 1 310.354 -1.347 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001370987600 920207203 /nfs/dbraw/zinc/20/72/03/920207203.db2.gz REJCFSZPMPXFJR-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001370989002 920207360 /nfs/dbraw/zinc/20/73/60/920207360.db2.gz KHEBILSRAATHEA-XXFSISAASA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001370989002 920207371 /nfs/dbraw/zinc/20/73/71/920207371.db2.gz KHEBILSRAATHEA-XXFSISAASA-N 1 1 310.354 -1.347 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001371015278 920216857 /nfs/dbraw/zinc/21/68/57/920216857.db2.gz PYIQFKSAMAABQS-MOWSAHLDSA-N 1 1 311.382 -1.434 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001371015941 920218476 /nfs/dbraw/zinc/21/84/76/920218476.db2.gz KSDLAKZNSHONED-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001371028049 920220646 /nfs/dbraw/zinc/22/06/46/920220646.db2.gz LSZZKIMRWHNMMK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001371028049 920220660 /nfs/dbraw/zinc/22/06/60/920220660.db2.gz LSZZKIMRWHNMMK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001371028049 920220674 /nfs/dbraw/zinc/22/06/74/920220674.db2.gz LSZZKIMRWHNMMK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001371028049 920220691 /nfs/dbraw/zinc/22/06/91/920220691.db2.gz LSZZKIMRWHNMMK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001371028049 920220698 /nfs/dbraw/zinc/22/06/98/920220698.db2.gz LSZZKIMRWHNMMK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371027243 920221021 /nfs/dbraw/zinc/22/10/21/920221021.db2.gz WIKNOSDHQVVXBC-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001371024295 920221276 /nfs/dbraw/zinc/22/12/76/920221276.db2.gz GGNNEFXJPCOSTC-SNVBAGLBSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001371024295 920221291 /nfs/dbraw/zinc/22/12/91/920221291.db2.gz GGNNEFXJPCOSTC-SNVBAGLBSA-N 1 1 324.385 -1.304 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001371021210 920221356 /nfs/dbraw/zinc/22/13/56/920221356.db2.gz XDJIGUKUMUBERN-FQEAEBOJSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001371021210 920221371 /nfs/dbraw/zinc/22/13/71/920221371.db2.gz XDJIGUKUMUBERN-FQEAEBOJSA-N 1 1 311.382 -1.170 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001371027761 920222021 /nfs/dbraw/zinc/22/20/21/920222021.db2.gz ZVHJTNKGHOOISL-PDWCTOEPSA-N 1 1 313.398 -1.045 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1(C[NH+](C)C)CC1 ZINC001371024291 920222077 /nfs/dbraw/zinc/22/20/77/920222077.db2.gz GGNNEFXJPCOSTC-JTQLQIEISA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001371024291 920222094 /nfs/dbraw/zinc/22/20/94/920222094.db2.gz GGNNEFXJPCOSTC-JTQLQIEISA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034659 920223968 /nfs/dbraw/zinc/22/39/68/920223968.db2.gz GUBJRXNVDJEGGQ-HKLXJQGRSA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034659 920223979 /nfs/dbraw/zinc/22/39/79/920223979.db2.gz GUBJRXNVDJEGGQ-HKLXJQGRSA-N 1 1 324.381 -1.100 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001371034655 920224119 /nfs/dbraw/zinc/22/41/19/920224119.db2.gz GCFBDVYVVCKJAC-FHUSYTEZSA-N 1 1 311.382 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](COC)OC ZINC001371034628 920224166 /nfs/dbraw/zinc/22/41/66/920224166.db2.gz CNRGNFZPNFWORO-IEECTRCBSA-N 1 1 302.371 -1.299 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](COC)OC ZINC001371034630 920225051 /nfs/dbraw/zinc/22/50/51/920225051.db2.gz CNRGNFZPNFWORO-LBELIVKGSA-N 1 1 302.371 -1.299 20 0 DAADMO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1nccn1C ZINC001371186850 920238032 /nfs/dbraw/zinc/23/80/32/920238032.db2.gz KLQJVILEEPCYMQ-SECBINFHSA-N 1 1 320.357 -1.595 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001371241692 920240206 /nfs/dbraw/zinc/24/02/06/920240206.db2.gz AXXJCVHRGSHLBT-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nccn1C ZINC001371265892 920240903 /nfs/dbraw/zinc/24/09/03/920240903.db2.gz WSRMQPIXQXBHOO-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001371245461 920241510 /nfs/dbraw/zinc/24/15/10/920241510.db2.gz VVJFNXDBDVCBMR-SNVBAGLBSA-N 1 1 322.369 -1.677 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371236563 920241602 /nfs/dbraw/zinc/24/16/02/920241602.db2.gz BMBKISKZFPTVMC-TVQRCGJNSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001371265745 920242092 /nfs/dbraw/zinc/24/20/92/920242092.db2.gz UKQCBARBGJXPAQ-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncccn1 ZINC001371305990 920244811 /nfs/dbraw/zinc/24/48/11/920244811.db2.gz JPUFSWOVYSVDEI-NSHDSACASA-N 1 1 306.370 -1.497 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001371340689 920248368 /nfs/dbraw/zinc/24/83/68/920248368.db2.gz CUTKIVCSPIDIAT-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001371327073 920248882 /nfs/dbraw/zinc/24/88/82/920248882.db2.gz MZUJMLXZKIIMED-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371340693 920249423 /nfs/dbraw/zinc/24/94/23/920249423.db2.gz CUTKIVCSPIDIAT-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001371448611 920255315 /nfs/dbraw/zinc/25/53/15/920255315.db2.gz JHLWTXRUVCZDJG-QJPTWQEYSA-N 1 1 310.354 -1.086 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001371468194 920261834 /nfs/dbraw/zinc/26/18/34/920261834.db2.gz GCYINVPANIFFDI-ZETCQYMHSA-N 1 1 321.341 -1.179 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001371474398 920264661 /nfs/dbraw/zinc/26/46/61/920264661.db2.gz QFDOKKCCDGOLHR-GHMZBOCLSA-N 1 1 311.342 -1.287 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001371475933 920265879 /nfs/dbraw/zinc/26/58/79/920265879.db2.gz WAAWSZZPPAXMQE-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O)C1CCC1 ZINC001371527224 920276706 /nfs/dbraw/zinc/27/67/06/920276706.db2.gz ARCBGCCTIWPCSB-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001371530071 920277817 /nfs/dbraw/zinc/27/78/17/920277817.db2.gz MOOBCBJCEWIEDT-NEPJUHHUSA-N 1 1 324.385 -1.543 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001371529941 920278516 /nfs/dbraw/zinc/27/85/16/920278516.db2.gz LGORCHBHQIUUNJ-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O)[NH+](C)C ZINC001371538727 920280461 /nfs/dbraw/zinc/28/04/61/920280461.db2.gz UXMCNVWMKHODPK-UPJWGTAASA-N 1 1 323.397 -1.020 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001371537739 920280599 /nfs/dbraw/zinc/28/05/99/920280599.db2.gz MRKFMAABBKKBEP-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O ZINC001371542306 920282588 /nfs/dbraw/zinc/28/25/88/920282588.db2.gz YQHRIEPTHSOQMP-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001371540645 920283009 /nfs/dbraw/zinc/28/30/09/920283009.db2.gz BUPIEISGLZYHFY-ZJUUUORDSA-N 1 1 313.333 -1.198 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001371665342 920294680 /nfs/dbraw/zinc/29/46/80/920294680.db2.gz LYPMMLKTLANPDN-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001371695213 920294917 /nfs/dbraw/zinc/29/49/17/920294917.db2.gz RUSRNHGPTVOKFC-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001371695213 920294930 /nfs/dbraw/zinc/29/49/30/920294930.db2.gz RUSRNHGPTVOKFC-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001371698202 920296066 /nfs/dbraw/zinc/29/60/66/920296066.db2.gz FUJNLBZNNZARFL-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001371651448 920296131 /nfs/dbraw/zinc/29/61/31/920296131.db2.gz KRWYFERGPRZZBI-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(C)=O ZINC001371896117 920310083 /nfs/dbraw/zinc/31/00/83/920310083.db2.gz YHGYCKXXCMCERI-UHFFFAOYSA-N 1 1 301.347 -1.984 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001371896117 920310099 /nfs/dbraw/zinc/31/00/99/920310099.db2.gz YHGYCKXXCMCERI-UHFFFAOYSA-N 1 1 301.347 -1.984 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(=O)OC ZINC001371920798 920310248 /nfs/dbraw/zinc/31/02/48/920310248.db2.gz GIXPHWGOYWJCMZ-UHFFFAOYSA-N 1 1 317.346 -1.764 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)OC ZINC001371920798 920310257 /nfs/dbraw/zinc/31/02/57/920310257.db2.gz GIXPHWGOYWJCMZ-UHFFFAOYSA-N 1 1 317.346 -1.764 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)CCN1CCNC1=O ZINC001371943155 920312101 /nfs/dbraw/zinc/31/21/01/920312101.db2.gz BTPQWSCZEMBFRM-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO C[N@H+](CCNC(=O)CC1(O)CCC1)CCNS(C)(=O)=O ZINC001371961375 920312823 /nfs/dbraw/zinc/31/28/23/920312823.db2.gz BEIRFQJDKCHENF-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@@H+](CCNC(=O)CC1(O)CCC1)CCNS(C)(=O)=O ZINC001371961375 920312842 /nfs/dbraw/zinc/31/28/42/920312842.db2.gz BEIRFQJDKCHENF-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001371927309 920313291 /nfs/dbraw/zinc/31/32/91/920313291.db2.gz JDOYBPYQBHTJLB-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001371927309 920313302 /nfs/dbraw/zinc/31/33/02/920313302.db2.gz JDOYBPYQBHTJLB-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CCN1CCNC1=O)n1cncn1 ZINC001371950110 920313680 /nfs/dbraw/zinc/31/36/80/920313680.db2.gz FCKYLWAMLZSXIJ-LLVKDONJSA-N 1 1 309.374 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001371968507 920317583 /nfs/dbraw/zinc/31/75/83/920317583.db2.gz CWAJTCCQIKYEOJ-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)CCNS(C)(=O)=O ZINC001371997895 920320286 /nfs/dbraw/zinc/32/02/86/920320286.db2.gz NDRUOLZWUHMZOU-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)CCNS(C)(=O)=O ZINC001371997895 920320298 /nfs/dbraw/zinc/32/02/98/920320298.db2.gz NDRUOLZWUHMZOU-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001372000944 920322856 /nfs/dbraw/zinc/32/28/56/920322856.db2.gz WJEGDBQMPHYDDK-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001372000944 920322872 /nfs/dbraw/zinc/32/28/72/920322872.db2.gz WJEGDBQMPHYDDK-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO Cn1nccc1COCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001372008538 920324420 /nfs/dbraw/zinc/32/44/20/920324420.db2.gz ILCBYGKZXQIUSW-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO Cn1nccc1COCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001372008538 920324437 /nfs/dbraw/zinc/32/44/37/920324437.db2.gz ILCBYGKZXQIUSW-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)ccn1 ZINC001372025972 920327631 /nfs/dbraw/zinc/32/76/31/920327631.db2.gz FNLXTLFQAYDQBY-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)ccn1 ZINC001372025972 920327645 /nfs/dbraw/zinc/32/76/45/920327645.db2.gz FNLXTLFQAYDQBY-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO Cn1nnc2cc(C(=O)NCC[N@H+](C)[C@@H]3CCNC3=O)cnc21 ZINC001372046812 920328642 /nfs/dbraw/zinc/32/86/42/920328642.db2.gz ZNEWIHFLRFQJOS-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc2cc(C(=O)NCC[N@@H+](C)[C@@H]3CCNC3=O)cnc21 ZINC001372046812 920328653 /nfs/dbraw/zinc/32/86/53/920328653.db2.gz ZNEWIHFLRFQJOS-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc2cc(C(=O)NCC[N@H+](C)[C@H]3CCNC3=O)cnc21 ZINC001372046813 920328806 /nfs/dbraw/zinc/32/88/06/920328806.db2.gz ZNEWIHFLRFQJOS-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc2cc(C(=O)NCC[N@@H+](C)[C@H]3CCNC3=O)cnc21 ZINC001372046813 920328828 /nfs/dbraw/zinc/32/88/28/920328828.db2.gz ZNEWIHFLRFQJOS-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001372052223 920331164 /nfs/dbraw/zinc/33/11/64/920331164.db2.gz KKMGLMWFFWTGOE-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001372052223 920331175 /nfs/dbraw/zinc/33/11/75/920331175.db2.gz KKMGLMWFFWTGOE-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001372110622 920335324 /nfs/dbraw/zinc/33/53/24/920335324.db2.gz GOMGKGPCFCDNQW-DOMZBBRYSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001372109560 920335437 /nfs/dbraw/zinc/33/54/37/920335437.db2.gz OYVZKJWSSMYBHZ-AXFHLTTASA-N 1 1 317.411 -1.410 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001372109560 920335451 /nfs/dbraw/zinc/33/54/51/920335451.db2.gz OYVZKJWSSMYBHZ-AXFHLTTASA-N 1 1 317.411 -1.410 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001372137287 920338680 /nfs/dbraw/zinc/33/86/80/920338680.db2.gz NVWNOZKKQOCXQH-JTQLQIEISA-N 1 1 323.353 -2.366 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)c(=O)n(C)c1=O ZINC001372137287 920338696 /nfs/dbraw/zinc/33/86/96/920338696.db2.gz NVWNOZKKQOCXQH-JTQLQIEISA-N 1 1 323.353 -2.366 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001372136966 920340456 /nfs/dbraw/zinc/34/04/56/920340456.db2.gz STCJXKBCAAEUKH-SECBINFHSA-N 1 1 316.387 -1.694 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC001372136966 920340468 /nfs/dbraw/zinc/34/04/68/920340468.db2.gz STCJXKBCAAEUKH-SECBINFHSA-N 1 1 316.387 -1.694 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001372135694 920340612 /nfs/dbraw/zinc/34/06/12/920340612.db2.gz XHWWODYSRLHDPS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001372135694 920340629 /nfs/dbraw/zinc/34/06/29/920340629.db2.gz XHWWODYSRLHDPS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)n1 ZINC001372139816 920340760 /nfs/dbraw/zinc/34/07/60/920340760.db2.gz YIEDLTBQXJCTAH-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001372134660 920341100 /nfs/dbraw/zinc/34/11/00/920341100.db2.gz VVZCJVYWWXRGDT-UWVGGRQHSA-N 1 1 300.359 -1.207 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001372167535 920342196 /nfs/dbraw/zinc/34/21/96/920342196.db2.gz DOLHMJDWIRESBL-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001372167535 920342212 /nfs/dbraw/zinc/34/22/12/920342212.db2.gz DOLHMJDWIRESBL-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001372192671 920342388 /nfs/dbraw/zinc/34/23/88/920342388.db2.gz ZOYBGPMKVHZXLP-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001372170126 920343269 /nfs/dbraw/zinc/34/32/69/920343269.db2.gz FOOSWNWGSMIEFF-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001372170126 920343285 /nfs/dbraw/zinc/34/32/85/920343285.db2.gz FOOSWNWGSMIEFF-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001372170124 920343693 /nfs/dbraw/zinc/34/36/93/920343693.db2.gz FOOSWNWGSMIEFF-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001372170124 920343706 /nfs/dbraw/zinc/34/37/06/920343706.db2.gz FOOSWNWGSMIEFF-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)CCn1cccn1 ZINC001372184201 920344106 /nfs/dbraw/zinc/34/41/06/920344106.db2.gz PFBUEWDFEJCHQJ-UHFFFAOYSA-N 1 1 322.369 -1.127 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001372166557 920344302 /nfs/dbraw/zinc/34/43/02/920344302.db2.gz XEZVHBTUZQARPK-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001372166557 920344319 /nfs/dbraw/zinc/34/43/19/920344319.db2.gz XEZVHBTUZQARPK-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001372203128 920345187 /nfs/dbraw/zinc/34/51/87/920345187.db2.gz IRNLXGNSZNESRT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001372203128 920345205 /nfs/dbraw/zinc/34/52/05/920345205.db2.gz IRNLXGNSZNESRT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001372207686 920346355 /nfs/dbraw/zinc/34/63/55/920346355.db2.gz YMKQEQZVLFWEPU-NSHDSACASA-N 1 1 315.374 -2.054 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CCn1cncn1 ZINC001372223980 920347554 /nfs/dbraw/zinc/34/75/54/920347554.db2.gz OMNREBNPEIIDKX-JTQLQIEISA-N 1 1 316.387 -1.982 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCN(C)S(C)(=O)=O ZINC001372221102 920348484 /nfs/dbraw/zinc/34/84/84/920348484.db2.gz PDODFUAUUGYUHI-LBPRGKRZSA-N 1 1 320.459 -1.123 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001372226072 920350544 /nfs/dbraw/zinc/35/05/44/920350544.db2.gz ABWBFWKNQLZICK-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001372226072 920350559 /nfs/dbraw/zinc/35/05/59/920350559.db2.gz ABWBFWKNQLZICK-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1cn(C)nc1C ZINC001372225019 920350708 /nfs/dbraw/zinc/35/07/08/920350708.db2.gz YGOMNAGCNRANOO-UHFFFAOYSA-N 1 1 317.415 -1.174 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1cn(C)nc1C ZINC001372225019 920350720 /nfs/dbraw/zinc/35/07/20/920350720.db2.gz YGOMNAGCNRANOO-UHFFFAOYSA-N 1 1 317.415 -1.174 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001372277041 920358988 /nfs/dbraw/zinc/35/89/88/920358988.db2.gz ATUGLPPILQAEFV-GHMZBOCLSA-N 1 1 323.397 -1.001 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cc[nH]n1)[C@H](C)C(=O)NC(N)=O ZINC001372291954 920361374 /nfs/dbraw/zinc/36/13/74/920361374.db2.gz CKNJNRLJVKIENX-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cc[nH]n1)[C@H](C)C(=O)NC(N)=O ZINC001372291954 920361391 /nfs/dbraw/zinc/36/13/91/920361391.db2.gz CKNJNRLJVKIENX-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@H]1CCNC1=O ZINC001372470643 920374534 /nfs/dbraw/zinc/37/45/34/920374534.db2.gz WJEDTBPDKXDOSZ-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)N(C)C ZINC001372468620 920375455 /nfs/dbraw/zinc/37/54/55/920375455.db2.gz KHLGNKUSYVUDPD-UHFFFAOYSA-N 1 1 309.370 -1.080 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)N(C)C ZINC001372468620 920375467 /nfs/dbraw/zinc/37/54/67/920375467.db2.gz KHLGNKUSYVUDPD-UHFFFAOYSA-N 1 1 309.370 -1.080 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372486387 920376705 /nfs/dbraw/zinc/37/67/05/920376705.db2.gz BXGDGRRGCOPJNV-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001372491302 920378257 /nfs/dbraw/zinc/37/82/57/920378257.db2.gz LUDMAYDDZXDMOG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001372507213 920378771 /nfs/dbraw/zinc/37/87/71/920378771.db2.gz DPAWXLURJXROMH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001372507213 920378785 /nfs/dbraw/zinc/37/87/85/920378785.db2.gz DPAWXLURJXROMH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001372513093 920380454 /nfs/dbraw/zinc/38/04/54/920380454.db2.gz SWPDFTULVPZKFR-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001372540913 920382001 /nfs/dbraw/zinc/38/20/01/920382001.db2.gz KNMXPYJUYRCMGU-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001372540913 920382015 /nfs/dbraw/zinc/38/20/15/920382015.db2.gz KNMXPYJUYRCMGU-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001372565313 920385388 /nfs/dbraw/zinc/38/53/88/920385388.db2.gz MIDWXMABHBUNTB-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372552965 920385503 /nfs/dbraw/zinc/38/55/03/920385503.db2.gz IRPUGYQIQLDNJO-DCAQKATOSA-N 1 1 323.397 -1.098 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372552966 920385661 /nfs/dbraw/zinc/38/56/61/920385661.db2.gz IRPUGYQIQLDNJO-GMTAPVOTSA-N 1 1 323.397 -1.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001372554560 920386038 /nfs/dbraw/zinc/38/60/38/920386038.db2.gz MTUZGEJECCZOOK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cnccc1=O ZINC001372551873 920387288 /nfs/dbraw/zinc/38/72/88/920387288.db2.gz IDNMYXKCJLKPHP-NSHDSACASA-N 1 1 307.354 -1.301 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cnccc1=O ZINC001372551873 920387302 /nfs/dbraw/zinc/38/73/02/920387302.db2.gz IDNMYXKCJLKPHP-NSHDSACASA-N 1 1 307.354 -1.301 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001372554561 920387554 /nfs/dbraw/zinc/38/75/54/920387554.db2.gz MTUZGEJECCZOOK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001372573051 920387827 /nfs/dbraw/zinc/38/78/27/920387827.db2.gz WFVCDAVVDCVCHA-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001372591936 920389420 /nfs/dbraw/zinc/38/94/20/920389420.db2.gz CBPVZNBRRFGLJI-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001372604115 920390039 /nfs/dbraw/zinc/39/00/39/920390039.db2.gz FKEOANDYSAGFNS-IUCAKERBSA-N 1 1 323.357 -1.550 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001372604403 920390131 /nfs/dbraw/zinc/39/01/31/920390131.db2.gz CJUHHFZIYTXKQK-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001372607476 920391877 /nfs/dbraw/zinc/39/18/77/920391877.db2.gz HZUIHHLPHGZHBN-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001372607476 920391887 /nfs/dbraw/zinc/39/18/87/920391887.db2.gz HZUIHHLPHGZHBN-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001372654105 920392963 /nfs/dbraw/zinc/39/29/63/920392963.db2.gz RAIZCYGJGGYIKO-JQWIXIFHSA-N 1 1 323.397 -1.368 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001372614554 920393071 /nfs/dbraw/zinc/39/30/71/920393071.db2.gz SNWOZRZBYNFJLN-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001372618053 920393737 /nfs/dbraw/zinc/39/37/37/920393737.db2.gz XWWHHBOILNRNCU-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001372654129 920393784 /nfs/dbraw/zinc/39/37/84/920393784.db2.gz RAIZCYGJGGYIKO-ZYHUDNBSSA-N 1 1 323.397 -1.368 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372653526 920394115 /nfs/dbraw/zinc/39/41/15/920394115.db2.gz QILRGCIIEUCOKW-UWVGGRQHSA-N 1 1 316.358 -1.719 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001372624324 920394298 /nfs/dbraw/zinc/39/42/98/920394298.db2.gz IZSWNSGJBJTLIJ-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001372617421 920394564 /nfs/dbraw/zinc/39/45/64/920394564.db2.gz MCNXZOOURJVGTN-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001372633114 920395775 /nfs/dbraw/zinc/39/57/75/920395775.db2.gz OBELMVULFJAZHP-SNVBAGLBSA-N 1 1 310.358 -2.105 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001372620209 920396296 /nfs/dbraw/zinc/39/62/96/920396296.db2.gz QVNFEZGFTQJBDT-SNVBAGLBSA-N 1 1 318.399 -2.055 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372615619 920396567 /nfs/dbraw/zinc/39/65/67/920396567.db2.gz SAVFWRBUGFSTOY-SECBINFHSA-N 1 1 323.357 -1.455 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001372668318 920398923 /nfs/dbraw/zinc/39/89/23/920398923.db2.gz RTSBLQNTJXEIEY-NSHDSACASA-N 1 1 324.385 -1.926 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001372670666 920398972 /nfs/dbraw/zinc/39/89/72/920398972.db2.gz KWLWPPQTYCRSFD-SECBINFHSA-N 1 1 306.388 -2.280 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001372666582 920399906 /nfs/dbraw/zinc/39/99/06/920399906.db2.gz PMAGYJXWFQPPLA-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001372658270 920400051 /nfs/dbraw/zinc/40/00/51/920400051.db2.gz QMRBHCVTNKTTBY-WDEREUQCSA-N 1 1 310.354 -1.171 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001372666817 920400279 /nfs/dbraw/zinc/40/02/79/920400279.db2.gz OBALIYFAZQOGNQ-ZJUUUORDSA-N 1 1 323.357 -1.700 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372703985 920402044 /nfs/dbraw/zinc/40/20/44/920402044.db2.gz IHPQHDYURACUPQ-RMRHIDDWSA-N 1 1 322.409 -1.011 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001372703934 920402397 /nfs/dbraw/zinc/40/23/97/920402397.db2.gz SESYFQCZUWXTQL-KLBPJQLPSA-N 1 1 309.370 -1.678 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]32)C1 ZINC001372706994 920402933 /nfs/dbraw/zinc/40/29/33/920402933.db2.gz ONNSZFISVQFAEZ-MEWQQHAOSA-N 1 1 323.397 -1.431 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001372726136 920403085 /nfs/dbraw/zinc/40/30/85/920403085.db2.gz JYGJJUSEXSDHJK-XZUYRWCXSA-N 1 1 323.397 -1.419 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001372735343 920405952 /nfs/dbraw/zinc/40/59/52/920405952.db2.gz UQFAEEYFUBOSON-KZWBYHQPSA-N 1 1 323.397 -1.431 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001372791072 920410963 /nfs/dbraw/zinc/41/09/63/920410963.db2.gz DWRCGFXJBBQRRO-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799743 920412903 /nfs/dbraw/zinc/41/29/03/920412903.db2.gz JADNCNQMKRJUCB-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799743 920412915 /nfs/dbraw/zinc/41/29/15/920412915.db2.gz JADNCNQMKRJUCB-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001372793970 920413033 /nfs/dbraw/zinc/41/30/33/920413033.db2.gz PGFZFZVCEBXXFB-ZDUSSCGKSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001372793970 920413046 /nfs/dbraw/zinc/41/30/46/920413046.db2.gz PGFZFZVCEBXXFB-ZDUSSCGKSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)cc1=O ZINC001372807254 920415971 /nfs/dbraw/zinc/41/59/71/920415971.db2.gz GUPLGLISJIWJGZ-GFCCVEGCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)cc1=O ZINC001372807254 920415983 /nfs/dbraw/zinc/41/59/83/920415983.db2.gz GUPLGLISJIWJGZ-GFCCVEGCSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372811788 920416593 /nfs/dbraw/zinc/41/65/93/920416593.db2.gz APAKFKOSJUPZNU-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372811788 920416608 /nfs/dbraw/zinc/41/66/08/920416608.db2.gz APAKFKOSJUPZNU-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372831203 920419093 /nfs/dbraw/zinc/41/90/93/920419093.db2.gz MYHUSPHCVARRLI-ONGXEEELSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372831203 920419102 /nfs/dbraw/zinc/41/91/02/920419102.db2.gz MYHUSPHCVARRLI-ONGXEEELSA-N 1 1 324.385 -1.433 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CC1 ZINC001372836767 920419216 /nfs/dbraw/zinc/41/92/16/920419216.db2.gz JRMQTYPQLSDBLE-NSHDSACASA-N 1 1 320.353 -1.569 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CC1 ZINC001372836767 920419229 /nfs/dbraw/zinc/41/92/29/920419229.db2.gz JRMQTYPQLSDBLE-NSHDSACASA-N 1 1 320.353 -1.569 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372831202 920420382 /nfs/dbraw/zinc/42/03/82/920420382.db2.gz MYHUSPHCVARRLI-MWLCHTKSSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372831202 920420394 /nfs/dbraw/zinc/42/03/94/920420394.db2.gz MYHUSPHCVARRLI-MWLCHTKSSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)C1CC1 ZINC001372822040 920420548 /nfs/dbraw/zinc/42/05/48/920420548.db2.gz PFWHAOBOHMCJRS-LLVKDONJSA-N 1 1 324.381 -1.492 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372880427 920427878 /nfs/dbraw/zinc/42/78/78/920427878.db2.gz MQOBWOGFEIFSRK-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372880420 920428213 /nfs/dbraw/zinc/42/82/13/920428213.db2.gz MQOBWOGFEIFSRK-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001372984661 920445076 /nfs/dbraw/zinc/44/50/76/920445076.db2.gz CSGVXFMALBXAQP-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001372982017 920445606 /nfs/dbraw/zinc/44/56/06/920445606.db2.gz RYJRKVYXEHBSMB-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001373024541 920450232 /nfs/dbraw/zinc/45/02/32/920450232.db2.gz CWOWQGINTACYGQ-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001373024537 920450945 /nfs/dbraw/zinc/45/09/45/920450945.db2.gz CWOWQGINTACYGQ-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373035124 920453642 /nfs/dbraw/zinc/45/36/42/920453642.db2.gz UJAICYLYVVOYFK-IUCAKERBSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373035124 920453651 /nfs/dbraw/zinc/45/36/51/920453651.db2.gz UJAICYLYVVOYFK-IUCAKERBSA-N 1 1 311.346 -2.225 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373079980 920455287 /nfs/dbraw/zinc/45/52/87/920455287.db2.gz ABPVLIFQSDNVGY-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373079980 920455299 /nfs/dbraw/zinc/45/52/99/920455299.db2.gz ABPVLIFQSDNVGY-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001373064332 920455385 /nfs/dbraw/zinc/45/53/85/920455385.db2.gz KBCAIWDYBCZXKB-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373079973 920456616 /nfs/dbraw/zinc/45/66/16/920456616.db2.gz ABPVLIFQSDNVGY-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373079973 920456624 /nfs/dbraw/zinc/45/66/24/920456624.db2.gz ABPVLIFQSDNVGY-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093946 920457983 /nfs/dbraw/zinc/45/79/83/920457983.db2.gz AXVJNLIMDILRBG-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093946 920457993 /nfs/dbraw/zinc/45/79/93/920457993.db2.gz AXVJNLIMDILRBG-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373144979 920461362 /nfs/dbraw/zinc/46/13/62/920461362.db2.gz OXDZWATXGWISSI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373144979 920461379 /nfs/dbraw/zinc/46/13/79/920461379.db2.gz OXDZWATXGWISSI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)COC)C1 ZINC001373130004 920462305 /nfs/dbraw/zinc/46/23/05/920462305.db2.gz GIYOEIQMMSJGGV-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373138812 920463351 /nfs/dbraw/zinc/46/33/51/920463351.db2.gz FILBGCWRSJUDAA-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO Cn1cnn(CCC(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)c1=O ZINC001373199930 920465519 /nfs/dbraw/zinc/46/55/19/920465519.db2.gz HEYUMCKAOSJFLJ-GFCCVEGCSA-N 1 1 311.386 -1.208 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373191019 920466718 /nfs/dbraw/zinc/46/67/18/920466718.db2.gz KVFORHKPSKTKBS-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001373235624 920468253 /nfs/dbraw/zinc/46/82/53/920468253.db2.gz CFNICUXYDLBGBW-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373273889 920471338 /nfs/dbraw/zinc/47/13/38/920471338.db2.gz RWJXGHIMHPZTMI-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001373293149 920471891 /nfs/dbraw/zinc/47/18/91/920471891.db2.gz XJWYQYCAPQXEKE-LBPRGKRZSA-N 1 1 319.427 -1.206 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001373280239 920472121 /nfs/dbraw/zinc/47/21/21/920472121.db2.gz BXDXPODRDZJIQT-MNOVXSKESA-N 1 1 312.370 -1.037 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001373290244 920472199 /nfs/dbraw/zinc/47/21/99/920472199.db2.gz NWLUDFCZEYRPSI-NSHDSACASA-N 1 1 324.385 -1.763 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001373280244 920472264 /nfs/dbraw/zinc/47/22/64/920472264.db2.gz BXDXPODRDZJIQT-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)c1=O ZINC001373292704 920472839 /nfs/dbraw/zinc/47/28/39/920472839.db2.gz WEZFHTGXQZPKSV-LBPRGKRZSA-N 1 1 311.386 -1.256 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373294474 920473349 /nfs/dbraw/zinc/47/33/49/920473349.db2.gz QQWOUEUFPJWOMZ-QWRGUYRKSA-N 1 1 311.386 -1.464 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001373298491 920473665 /nfs/dbraw/zinc/47/36/65/920473665.db2.gz CLDWGJRTWHBRDV-LLVKDONJSA-N 1 1 312.370 -1.299 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001373289045 920473704 /nfs/dbraw/zinc/47/37/04/920473704.db2.gz GVGUBSSNYUAWMT-LLVKDONJSA-N 1 1 321.385 -1.164 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001373295613 920473756 /nfs/dbraw/zinc/47/37/56/920473756.db2.gz WJSDKOGKZXCVSM-WDEREUQCSA-N 1 1 312.374 -1.389 20 0 DAADMO C[C@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373277824 920473854 /nfs/dbraw/zinc/47/38/54/920473854.db2.gz BUEQMMRHZZJPAG-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC(C[N@@H+](C)CC(N)=O)CC2)C1 ZINC001373315565 920475439 /nfs/dbraw/zinc/47/54/39/920475439.db2.gz CZMUTXWSOAOHTJ-ZDUSSCGKSA-N 1 1 312.414 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001373389329 920483727 /nfs/dbraw/zinc/48/37/27/920483727.db2.gz VDJOEYDQDWJVGH-RWMBFGLXSA-N 1 1 302.371 -1.010 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373389952 920483931 /nfs/dbraw/zinc/48/39/31/920483931.db2.gz VQJFAKBIONKDTA-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373389952 920483943 /nfs/dbraw/zinc/48/39/43/920483943.db2.gz VQJFAKBIONKDTA-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1CS(=O)(=O)C1 ZINC001373376604 920484090 /nfs/dbraw/zinc/48/40/90/920484090.db2.gz ATKRVTWPWGSTKM-LLVKDONJSA-N 1 1 317.411 -1.300 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373390402 920485726 /nfs/dbraw/zinc/48/57/26/920485726.db2.gz MAUWEYSWATUXAS-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373390402 920485739 /nfs/dbraw/zinc/48/57/39/920485739.db2.gz MAUWEYSWATUXAS-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001373385604 920486138 /nfs/dbraw/zinc/48/61/38/920486138.db2.gz OWFOSKYZRDMJGM-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001373407476 920487529 /nfs/dbraw/zinc/48/75/29/920487529.db2.gz ORNUZKKEUMQDGE-RYUDHWBXSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001373407476 920487541 /nfs/dbraw/zinc/48/75/41/920487541.db2.gz ORNUZKKEUMQDGE-RYUDHWBXSA-N 1 1 324.385 -1.256 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373396140 920488905 /nfs/dbraw/zinc/48/89/05/920488905.db2.gz UXGADQGTCOGPPU-HBNTYKKESA-N 1 1 301.343 -1.317 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001373395571 920489229 /nfs/dbraw/zinc/48/92/29/920489229.db2.gz QRWZRBCRSUQBNM-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001373400734 920489708 /nfs/dbraw/zinc/48/97/08/920489708.db2.gz DFBXZKFIANCZBB-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001373400734 920489720 /nfs/dbraw/zinc/48/97/20/920489720.db2.gz DFBXZKFIANCZBB-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001373436637 920496950 /nfs/dbraw/zinc/49/69/50/920496950.db2.gz LSTJHIUKXGJCPB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001373436635 920497307 /nfs/dbraw/zinc/49/73/07/920497307.db2.gz LSTJHIUKXGJCPB-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001373462340 920501950 /nfs/dbraw/zinc/50/19/50/920501950.db2.gz LRZFZTGFWJKZBU-UWVGGRQHSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373462343 920502177 /nfs/dbraw/zinc/50/21/77/920502177.db2.gz LRZFZTGFWJKZBU-VHSXEESVSA-N 1 1 307.416 -1.115 20 0 DAADMO Cn1ncnc1CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373460623 920503488 /nfs/dbraw/zinc/50/34/88/920503488.db2.gz AIZXCPXPQJVHNX-UHFFFAOYSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373465353 920506324 /nfs/dbraw/zinc/50/63/24/920506324.db2.gz WYHLAELGVCVCKU-ZJUUUORDSA-N 1 1 305.400 -1.239 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001373480795 920507403 /nfs/dbraw/zinc/50/74/03/920507403.db2.gz IWMGKBMGFATQKE-GWCFXTLKSA-N 1 1 317.411 -1.237 20 0 DAADMO CCCNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373496214 920511939 /nfs/dbraw/zinc/51/19/39/920511939.db2.gz IHDGPDODIILHHE-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CCCNC(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373496214 920511948 /nfs/dbraw/zinc/51/19/48/920511948.db2.gz IHDGPDODIILHHE-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(Cn1ncnn1)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001373508104 920514083 /nfs/dbraw/zinc/51/40/83/920514083.db2.gz NAQRDKYUFLMPAJ-UHFFFAOYSA-N 1 1 307.358 -1.753 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001373510940 920515110 /nfs/dbraw/zinc/51/51/10/920515110.db2.gz VDCJJXVDHNDQHA-UHFFFAOYSA-N 1 1 311.386 -1.510 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)Cn3cncn3)C2)C1=O ZINC001373551541 920521364 /nfs/dbraw/zinc/52/13/64/920521364.db2.gz JXXSXGIJLVOCRB-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N ZINC001373564830 920523905 /nfs/dbraw/zinc/52/39/05/920523905.db2.gz FBIARAFXVAAWKN-GARJFASQSA-N 1 1 309.370 -1.092 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N ZINC001373564830 920523917 /nfs/dbraw/zinc/52/39/17/920523917.db2.gz FBIARAFXVAAWKN-GARJFASQSA-N 1 1 309.370 -1.092 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001373581897 920526382 /nfs/dbraw/zinc/52/63/82/920526382.db2.gz UWVZTTJLINAPLT-QWHCGFSZSA-N 1 1 309.370 -1.429 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC ZINC001373573220 920527078 /nfs/dbraw/zinc/52/70/78/920527078.db2.gz BWLBFHPMWWYAMP-UWVGGRQHSA-N 1 1 306.388 -2.028 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCNC(=O)C1 ZINC001373571181 920528123 /nfs/dbraw/zinc/52/81/23/920528123.db2.gz OYZYDORQDIWHNU-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001373575694 920528323 /nfs/dbraw/zinc/52/83/23/920528323.db2.gz YYQZZQDFFUJTIR-NSHDSACASA-N 1 1 324.385 -1.100 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001373599886 920531289 /nfs/dbraw/zinc/53/12/89/920531289.db2.gz NQBKSGLLRUIUGA-DTWKUNHWSA-N 1 1 319.387 -2.881 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001373599886 920531297 /nfs/dbraw/zinc/53/12/97/920531297.db2.gz NQBKSGLLRUIUGA-DTWKUNHWSA-N 1 1 319.387 -2.881 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001373601949 920534016 /nfs/dbraw/zinc/53/40/16/920534016.db2.gz VJEHIGRORWZVNJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001373601949 920534028 /nfs/dbraw/zinc/53/40/28/920534028.db2.gz VJEHIGRORWZVNJ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001373608102 920534399 /nfs/dbraw/zinc/53/43/99/920534399.db2.gz FFTGTLBSGMYMAN-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001373632585 920540671 /nfs/dbraw/zinc/54/06/71/920540671.db2.gz MOGWZMVTHDPURM-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001373632585 920540685 /nfs/dbraw/zinc/54/06/85/920540685.db2.gz MOGWZMVTHDPURM-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001373629962 920542161 /nfs/dbraw/zinc/54/21/61/920542161.db2.gz HKPIWBFVRZVUOY-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001373651362 920543726 /nfs/dbraw/zinc/54/37/26/920543726.db2.gz HOWXOTWKVWKDPL-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001373651362 920543735 /nfs/dbraw/zinc/54/37/35/920543735.db2.gz HOWXOTWKVWKDPL-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001373651896 920545646 /nfs/dbraw/zinc/54/56/46/920545646.db2.gz SLHUHCLTNFFUPO-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001373650736 920546388 /nfs/dbraw/zinc/54/63/88/920546388.db2.gz XQMKDOGHWCYXRA-SNVBAGLBSA-N 1 1 312.374 -1.740 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373690039 920546866 /nfs/dbraw/zinc/54/68/66/920546866.db2.gz RWFYDEVCEOQKMD-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001373669841 920548240 /nfs/dbraw/zinc/54/82/40/920548240.db2.gz CXUJLWZJBAHXSG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001373669841 920548247 /nfs/dbraw/zinc/54/82/47/920548247.db2.gz CXUJLWZJBAHXSG-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373666237 920548571 /nfs/dbraw/zinc/54/85/71/920548571.db2.gz FFMYKZDSCDMRMQ-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373666237 920548578 /nfs/dbraw/zinc/54/85/78/920548578.db2.gz FFMYKZDSCDMRMQ-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373671964 920548659 /nfs/dbraw/zinc/54/86/59/920548659.db2.gz IYRBOMNSQIIHRI-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373671964 920548669 /nfs/dbraw/zinc/54/86/69/920548669.db2.gz IYRBOMNSQIIHRI-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373690041 920549251 /nfs/dbraw/zinc/54/92/51/920549251.db2.gz RWFYDEVCEOQKMD-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001373708815 920551276 /nfs/dbraw/zinc/55/12/76/920551276.db2.gz PCTUXHSKEXYNRS-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001373711635 920553406 /nfs/dbraw/zinc/55/34/06/920553406.db2.gz VKWYTZODYAGQPT-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)Cc2nc[nH]n2)C1 ZINC001373711635 920553417 /nfs/dbraw/zinc/55/34/17/920553417.db2.gz VKWYTZODYAGQPT-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001373710490 920553618 /nfs/dbraw/zinc/55/36/18/920553618.db2.gz MXDPNOWTBCXZJS-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001373712507 920553664 /nfs/dbraw/zinc/55/36/64/920553664.db2.gz RSBGLAAAAZKJHX-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cn(CC)nn1 ZINC001373730583 920555686 /nfs/dbraw/zinc/55/56/86/920555686.db2.gz UJGMIEXQVFKWKH-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)c1nccnc1N)[NH2+]Cc1nnnn1C ZINC001373737200 920555753 /nfs/dbraw/zinc/55/57/53/920555753.db2.gz IVPYZDFXCXABAS-MRVPVSSYSA-N 1 1 305.346 -1.120 20 0 DAADMO CC[C@@H](CNC(=O)CNC(C)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001373721399 920556425 /nfs/dbraw/zinc/55/64/25/920556425.db2.gz BLZDEJSWIJMFLF-NSHDSACASA-N 1 1 324.385 -1.071 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cn(CC)nn1 ZINC001373730586 920556789 /nfs/dbraw/zinc/55/67/89/920556789.db2.gz UJGMIEXQVFKWKH-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001373764753 920557546 /nfs/dbraw/zinc/55/75/46/920557546.db2.gz VOMMRNDLECGNOE-SECBINFHSA-N 1 1 318.403 -1.371 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001373802153 920561846 /nfs/dbraw/zinc/56/18/46/920561846.db2.gz SKHNQALBISIBPY-SNVBAGLBSA-N 1 1 311.342 -1.087 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001373780049 920563445 /nfs/dbraw/zinc/56/34/45/920563445.db2.gz LAPLNTYTZOXAHB-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001373808685 920563994 /nfs/dbraw/zinc/56/39/94/920563994.db2.gz AGBGTKALJRSRIP-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CCN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@H]1CCC[N@H+]1C ZINC001373931347 920571140 /nfs/dbraw/zinc/57/11/40/920571140.db2.gz JCQJCUDBUHSTJK-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1nnn(C)n1 ZINC001374002208 920573463 /nfs/dbraw/zinc/57/34/63/920573463.db2.gz YBMWWTFVEJYMLG-MRVPVSSYSA-N 1 1 305.346 -1.262 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001374063066 920578811 /nfs/dbraw/zinc/57/88/11/920578811.db2.gz FATZIJRANJEIHM-ZDUSSCGKSA-N 1 1 310.398 -1.307 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001374063066 920578825 /nfs/dbraw/zinc/57/88/25/920578825.db2.gz FATZIJRANJEIHM-ZDUSSCGKSA-N 1 1 310.398 -1.307 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001374083954 920578978 /nfs/dbraw/zinc/57/89/78/920578978.db2.gz KSKLHKMMLTZZHI-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001374063063 920580950 /nfs/dbraw/zinc/58/09/50/920580950.db2.gz FATZIJRANJEIHM-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001374063063 920580959 /nfs/dbraw/zinc/58/09/59/920580959.db2.gz FATZIJRANJEIHM-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001374185653 920593820 /nfs/dbraw/zinc/59/38/20/920593820.db2.gz LQSLTABQPUZNAX-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001374258372 920594748 /nfs/dbraw/zinc/59/47/48/920594748.db2.gz FAYXTHQBGDSRJL-JTQLQIEISA-N 1 1 323.357 -1.008 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCOCC1=O ZINC001374233515 920596160 /nfs/dbraw/zinc/59/61/60/920596160.db2.gz NFCIFXXDOBBGBS-SNVBAGLBSA-N 1 1 311.342 -1.135 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001374266474 920598346 /nfs/dbraw/zinc/59/83/46/920598346.db2.gz FMDWTFJHKBZJMW-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001374475222 920604092 /nfs/dbraw/zinc/60/40/92/920604092.db2.gz CGWNKPYBTHBIDH-UHFFFAOYSA-N 1 1 323.357 -1.482 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1nccnc1N ZINC001374475222 920604103 /nfs/dbraw/zinc/60/41/03/920604103.db2.gz CGWNKPYBTHBIDH-UHFFFAOYSA-N 1 1 323.357 -1.482 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001374459888 920605422 /nfs/dbraw/zinc/60/54/22/920605422.db2.gz UDPQSTWFTKRRSR-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001374459888 920605435 /nfs/dbraw/zinc/60/54/35/920605435.db2.gz UDPQSTWFTKRRSR-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCCC1=O)C(=O)Cn1ncnn1 ZINC001374493189 920606871 /nfs/dbraw/zinc/60/68/71/920606871.db2.gz UOEUVNXCPFSXJH-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cncn1C ZINC001374512218 920606926 /nfs/dbraw/zinc/60/69/26/920606926.db2.gz GAMXSCWJDSXUBF-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cncn1C ZINC001374512218 920606935 /nfs/dbraw/zinc/60/69/35/920606935.db2.gz GAMXSCWJDSXUBF-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001374502126 920607277 /nfs/dbraw/zinc/60/72/77/920607277.db2.gz KWMRNQBVNGGMSL-QMMMGPOBSA-N 1 1 316.362 -2.111 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001374502126 920607286 /nfs/dbraw/zinc/60/72/86/920607286.db2.gz KWMRNQBVNGGMSL-QMMMGPOBSA-N 1 1 316.362 -2.111 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001374498136 920608769 /nfs/dbraw/zinc/60/87/69/920608769.db2.gz SSPDACBXVVVHTP-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001374498136 920608775 /nfs/dbraw/zinc/60/87/75/920608775.db2.gz SSPDACBXVVVHTP-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001374488429 920609315 /nfs/dbraw/zinc/60/93/15/920609315.db2.gz IEOJNSSPJSOYCV-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001374488429 920609328 /nfs/dbraw/zinc/60/93/28/920609328.db2.gz IEOJNSSPJSOYCV-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)Cn1ncnn1 ZINC001374491928 920609448 /nfs/dbraw/zinc/60/94/48/920609448.db2.gz OVPFSRRAIFCLJV-LLVKDONJSA-N 1 1 319.373 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001374506868 920609550 /nfs/dbraw/zinc/60/95/50/920609550.db2.gz ZNDDMDODFKVFEI-VHSXEESVSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001374506868 920609566 /nfs/dbraw/zinc/60/95/66/920609566.db2.gz ZNDDMDODFKVFEI-VHSXEESVSA-N 1 1 324.385 -1.190 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374529623 920610906 /nfs/dbraw/zinc/61/09/06/920610906.db2.gz RWAFHYWBZFRFKN-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374529623 920610916 /nfs/dbraw/zinc/61/09/16/920610916.db2.gz RWAFHYWBZFRFKN-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1nc[nH]n1 ZINC001374543050 920611105 /nfs/dbraw/zinc/61/11/05/920611105.db2.gz HLLPLHJSDCGSSX-UHFFFAOYSA-N 1 1 318.403 -1.300 20 0 DAADMO CN(CC[N@@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1nc[nH]n1 ZINC001374543050 920611114 /nfs/dbraw/zinc/61/11/14/920611114.db2.gz HLLPLHJSDCGSSX-UHFFFAOYSA-N 1 1 318.403 -1.300 20 0 DAADMO CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001374513653 920611453 /nfs/dbraw/zinc/61/14/53/920611453.db2.gz COVDLZKCYOXPEV-JTQLQIEISA-N 1 1 321.399 -2.328 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001374513653 920611459 /nfs/dbraw/zinc/61/14/59/920611459.db2.gz COVDLZKCYOXPEV-JTQLQIEISA-N 1 1 321.399 -2.328 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374520496 920611831 /nfs/dbraw/zinc/61/18/31/920611831.db2.gz NUNNQZPZSAJDAK-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374520496 920611846 /nfs/dbraw/zinc/61/18/46/920611846.db2.gz NUNNQZPZSAJDAK-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374520502 920612071 /nfs/dbraw/zinc/61/20/71/920612071.db2.gz NUNNQZPZSAJDAK-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374520502 920612082 /nfs/dbraw/zinc/61/20/82/920612082.db2.gz NUNNQZPZSAJDAK-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001374530881 920612731 /nfs/dbraw/zinc/61/27/31/920612731.db2.gz YIYUXFALZVBUCQ-RYUDHWBXSA-N 1 1 324.385 -1.684 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001374558430 920616372 /nfs/dbraw/zinc/61/63/72/920616372.db2.gz QNWQDOJZIGSCOU-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001374558430 920616410 /nfs/dbraw/zinc/61/64/10/920616410.db2.gz QNWQDOJZIGSCOU-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374559770 920617057 /nfs/dbraw/zinc/61/70/57/920617057.db2.gz NRXGPQNIVAHBTJ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374559770 920617067 /nfs/dbraw/zinc/61/70/67/920617067.db2.gz NRXGPQNIVAHBTJ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3cn[nH]n3)CC[C@@H]21 ZINC001374561675 920617158 /nfs/dbraw/zinc/61/71/58/920617158.db2.gz LUGMCZZAFSWHEZ-WPRPVWTQSA-N 1 1 321.341 -1.464 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001374565776 920617211 /nfs/dbraw/zinc/61/72/11/920617211.db2.gz NWOFEJMQFUSLPY-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001374546345 920617233 /nfs/dbraw/zinc/61/72/33/920617233.db2.gz JCVFRPQIATYZPI-LLVKDONJSA-N 1 1 311.390 -1.070 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001374546345 920617243 /nfs/dbraw/zinc/61/72/43/920617243.db2.gz JCVFRPQIATYZPI-LLVKDONJSA-N 1 1 311.390 -1.070 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(CC(N)=O)nn1 ZINC001374556571 920617370 /nfs/dbraw/zinc/61/73/70/920617370.db2.gz FALUBMIZQPAREF-SNVBAGLBSA-N 1 1 323.357 -2.344 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(CC(N)=O)nn1 ZINC001374556571 920617378 /nfs/dbraw/zinc/61/73/78/920617378.db2.gz FALUBMIZQPAREF-SNVBAGLBSA-N 1 1 323.357 -2.344 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnccn1)c1nnnn1C ZINC001374577376 920619256 /nfs/dbraw/zinc/61/92/56/920619256.db2.gz NJTRLRVPXWAHRB-RKDXNWHRSA-N 1 1 306.330 -1.558 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001374583230 920621585 /nfs/dbraw/zinc/62/15/85/920621585.db2.gz JPXYEECAQXPWMG-MRVPVSSYSA-N 1 1 300.319 -2.262 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cccn2)n1 ZINC001374581890 920622951 /nfs/dbraw/zinc/62/29/51/920622951.db2.gz RUDGGQUJEIPVMG-GFCCVEGCSA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001374579729 920623101 /nfs/dbraw/zinc/62/31/01/920623101.db2.gz ISXFBTPSLNSXEO-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO O=C(CCn1cncn1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001374584472 920623158 /nfs/dbraw/zinc/62/31/58/920623158.db2.gz XUYUUBDQSPRIHH-VIFPVBQESA-N 1 1 311.371 -1.213 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001374579431 920623244 /nfs/dbraw/zinc/62/32/44/920623244.db2.gz BLZYLLRDXJYLNS-GFCCVEGCSA-N 1 1 321.381 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2csnn2)C1 ZINC001374587450 920624454 /nfs/dbraw/zinc/62/44/54/920624454.db2.gz LTKPITLSUFZHMF-QWRGUYRKSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNCc2csnn2)C1 ZINC001374587450 920624463 /nfs/dbraw/zinc/62/44/63/920624463.db2.gz LTKPITLSUFZHMF-QWRGUYRKSA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374586063 920624846 /nfs/dbraw/zinc/62/48/46/920624846.db2.gz WOELIAQYJLASQR-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)nn1C ZINC001374586794 920625038 /nfs/dbraw/zinc/62/50/38/920625038.db2.gz ZJRFZFLLYYTCDR-LLVKDONJSA-N 1 1 318.399 -1.660 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001374586019 920625872 /nfs/dbraw/zinc/62/58/72/920625872.db2.gz LAIVPZDARVSCFO-LDYMZIIASA-N 1 1 324.385 -1.233 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001374586009 920626231 /nfs/dbraw/zinc/62/62/31/920626231.db2.gz LAIVPZDARVSCFO-GZMMTYOYSA-N 1 1 324.385 -1.233 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)[nH]1 ZINC001374587564 920626308 /nfs/dbraw/zinc/62/63/08/920626308.db2.gz CNTBPIVZZAXHLH-JTQLQIEISA-N 1 1 320.357 -1.080 20 0 DAADMO Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001374585698 920626328 /nfs/dbraw/zinc/62/63/28/920626328.db2.gz TWDJVIALRRPLGD-SECBINFHSA-N 1 1 304.372 -1.969 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2cnn(C)c2)nn1 ZINC001374588980 920627208 /nfs/dbraw/zinc/62/72/08/920627208.db2.gz GWTHUCBVACALNJ-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001374591372 920627630 /nfs/dbraw/zinc/62/76/30/920627630.db2.gz DQMZKUNCZCRSAQ-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001374591370 920627735 /nfs/dbraw/zinc/62/77/35/920627735.db2.gz DQMZKUNCZCRSAQ-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cnn(C)c2)nn1 ZINC001374588977 920629570 /nfs/dbraw/zinc/62/95/70/920629570.db2.gz GWTHUCBVACALNJ-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1)n1cncn1 ZINC001374593396 920631460 /nfs/dbraw/zinc/63/14/60/920631460.db2.gz HAFWCFGRCMVCNG-MNOVXSKESA-N 1 1 305.342 -1.104 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCC(=O)N1 ZINC001374593519 920632001 /nfs/dbraw/zinc/63/20/01/920632001.db2.gz YCLDDHXRVJJYJS-VHSXEESVSA-N 1 1 323.357 -2.147 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)ncn1 ZINC001374593230 920633308 /nfs/dbraw/zinc/63/33/08/920633308.db2.gz MFZKMKMYIREMNE-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CC2OCCCO2)n1 ZINC001374598296 920634894 /nfs/dbraw/zinc/63/48/94/920634894.db2.gz JGTIASCTODJNFV-LLVKDONJSA-N 1 1 313.358 -1.465 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001374596343 920635310 /nfs/dbraw/zinc/63/53/10/920635310.db2.gz RUELEDDJPXZIRF-GFCCVEGCSA-N 1 1 312.370 -1.118 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C1CCC(O)CC1 ZINC001374596733 920635444 /nfs/dbraw/zinc/63/54/44/920635444.db2.gz AUPOGXJOZDRDNS-HTAVTVPLSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001374599502 920635665 /nfs/dbraw/zinc/63/56/65/920635665.db2.gz JLIQXBQLCJOPJP-JTQLQIEISA-N 1 1 322.373 -1.466 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)[nH]1 ZINC001374596306 920635778 /nfs/dbraw/zinc/63/57/78/920635778.db2.gz ZIQALAWDOMLMTQ-NXEZZACHSA-N 1 1 311.342 -1.367 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1coc(C2CC2)n1 ZINC001374602897 920637642 /nfs/dbraw/zinc/63/76/42/920637642.db2.gz GWRJQQQSMNYXDQ-NSHDSACASA-N 1 1 321.341 -1.195 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1)c1nncn1C ZINC001374599927 920638025 /nfs/dbraw/zinc/63/80/25/920638025.db2.gz FMCXUGBHGFHQPV-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1)c1nncn1C ZINC001374602520 920638915 /nfs/dbraw/zinc/63/89/15/920638915.db2.gz SNUPMGKHGYGMQG-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1)c1nncn1C ZINC001374602528 920639156 /nfs/dbraw/zinc/63/91/56/920639156.db2.gz SNUPMGKHGYGMQG-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001374601400 920639404 /nfs/dbraw/zinc/63/94/04/920639404.db2.gz QZXDBWGQNQNLTE-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)nn1 ZINC001374604283 920641313 /nfs/dbraw/zinc/64/13/13/920641313.db2.gz QEWPGCJBJLSXGH-LLVKDONJSA-N 1 1 322.373 -1.132 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)nn1 ZINC001374604287 920642257 /nfs/dbraw/zinc/64/22/57/920642257.db2.gz QEWPGCJBJLSXGH-NSHDSACASA-N 1 1 322.373 -1.132 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001374605442 920642504 /nfs/dbraw/zinc/64/25/04/920642504.db2.gz YBMBFWZPXXBWIZ-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001374611349 920645142 /nfs/dbraw/zinc/64/51/42/920645142.db2.gz JVEQKLYMVZGUJC-RYUDHWBXSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1)C(=O)C1CC1 ZINC001374612206 920645627 /nfs/dbraw/zinc/64/56/27/920645627.db2.gz OPHMUQVMCIGCNH-LLVKDONJSA-N 1 1 311.342 -1.495 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001374613782 920646469 /nfs/dbraw/zinc/64/64/69/920646469.db2.gz FDYBYAMQLVVEEP-NWDGAFQWSA-N 1 1 321.381 -1.040 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cn1C ZINC001374614427 920648086 /nfs/dbraw/zinc/64/80/86/920648086.db2.gz FAGXOMYLHOQHPZ-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001374614996 920649244 /nfs/dbraw/zinc/64/92/44/920649244.db2.gz HZQZCDSDMIMHTL-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001374616909 920650500 /nfs/dbraw/zinc/65/05/00/920650500.db2.gz IXHNCAKPMARTEK-IUCAKERBSA-N 1 1 319.387 -2.185 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)n1 ZINC001374623248 920654045 /nfs/dbraw/zinc/65/40/45/920654045.db2.gz CGBRSBAHAGNRIR-ZYHUDNBSSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001374619721 920654768 /nfs/dbraw/zinc/65/47/68/920654768.db2.gz SCACJECBGPEUML-LLVKDONJSA-N 1 1 323.332 -1.446 20 0 DAADMO COCc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001374627476 920658021 /nfs/dbraw/zinc/65/80/21/920658021.db2.gz JHQDGDLXIMCVQU-SECBINFHSA-N 1 1 324.341 -1.170 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)nn1 ZINC001374623793 920658253 /nfs/dbraw/zinc/65/82/53/920658253.db2.gz FBLBAQSWMDEPOR-ZYHUDNBSSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001374628923 920660359 /nfs/dbraw/zinc/66/03/59/920660359.db2.gz IUTDXZMDVCXZMD-SSLNLQFTSA-N 1 1 321.381 -1.195 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001374632921 920662133 /nfs/dbraw/zinc/66/21/33/920662133.db2.gz MFQWLADXCBRJMW-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001374635061 920662279 /nfs/dbraw/zinc/66/22/79/920662279.db2.gz GTKMAFBAKXHEJV-ZWNOBZJWSA-N 1 1 315.349 -1.007 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374633603 920662952 /nfs/dbraw/zinc/66/29/52/920662952.db2.gz PMNQWBMCFNSPAT-SNVBAGLBSA-N 1 1 323.357 -1.562 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001374635019 920663346 /nfs/dbraw/zinc/66/33/46/920663346.db2.gz UTRBSYDQSJQMFE-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001374639028 920666085 /nfs/dbraw/zinc/66/60/85/920666085.db2.gz RGVATNWVWQHZCK-AGIUHOORSA-N 1 1 303.403 -1.455 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001374648517 920670630 /nfs/dbraw/zinc/67/06/30/920670630.db2.gz DNCRMXOZBHWAHK-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001374650565 920670651 /nfs/dbraw/zinc/67/06/51/920670651.db2.gz KIJZBYFASBDUQY-ONGXEEELSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1cnn[nH]1)C(=O)N(C)C ZINC001374650565 920670662 /nfs/dbraw/zinc/67/06/62/920670662.db2.gz KIJZBYFASBDUQY-ONGXEEELSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H](CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)NC(N)=O ZINC001374649654 920671017 /nfs/dbraw/zinc/67/10/17/920671017.db2.gz ORXQGONZXXGTFS-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374647791 920671572 /nfs/dbraw/zinc/67/15/72/920671572.db2.gz CHMRWTWCUWGVOO-RYUDHWBXSA-N 1 1 312.374 -1.704 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001374651456 920672336 /nfs/dbraw/zinc/67/23/36/920672336.db2.gz NCQBQILPCYRDQS-VIFPVBQESA-N 1 1 321.341 -1.208 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2CC)nn1 ZINC001374656346 920674149 /nfs/dbraw/zinc/67/41/49/920674149.db2.gz GGRYAQWJLRMWSU-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001374654515 920674361 /nfs/dbraw/zinc/67/43/61/920674361.db2.gz VSFDTMNFUSTBBI-GHMZBOCLSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cccnn2)nn1 ZINC001374659317 920677160 /nfs/dbraw/zinc/67/71/60/920677160.db2.gz NZEORHPIYRWOFC-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nn1 ZINC001374658194 920679484 /nfs/dbraw/zinc/67/94/84/920679484.db2.gz RGKZETHFOLJXQS-GXSJLCMTSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1F ZINC001374662732 920680280 /nfs/dbraw/zinc/68/02/80/920680280.db2.gz VZGDKKCVZCMIHC-MRVPVSSYSA-N 1 1 309.305 -1.375 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cccc1 ZINC001374663252 920681152 /nfs/dbraw/zinc/68/11/52/920681152.db2.gz YYOWXAIOTQGMLC-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO COc1cccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001374663321 920681541 /nfs/dbraw/zinc/68/15/41/920681541.db2.gz RZCQJSNKNLEWKZ-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001374667635 920681707 /nfs/dbraw/zinc/68/17/07/920681707.db2.gz WQIADBZDTPHUDG-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001374667638 920682698 /nfs/dbraw/zinc/68/26/98/920682698.db2.gz WQIADBZDTPHUDG-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO COc1cccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001374663320 920682740 /nfs/dbraw/zinc/68/27/40/920682740.db2.gz RZCQJSNKNLEWKZ-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001374670223 920684153 /nfs/dbraw/zinc/68/41/53/920684153.db2.gz LJPMXNQAEOPUJG-QWRGUYRKSA-N 1 1 307.354 -1.370 20 0 DAADMO Cn1cccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)c1=O ZINC001374672056 920684243 /nfs/dbraw/zinc/68/42/43/920684243.db2.gz RLJPUXGVTNTEPX-SNVBAGLBSA-N 1 1 307.310 -1.351 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001374671919 920684992 /nfs/dbraw/zinc/68/49/92/920684992.db2.gz RBNCKQDWLTUTMS-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nc1 ZINC001374669912 920685559 /nfs/dbraw/zinc/68/55/59/920685559.db2.gz KGXVNYBXMMLLQH-MNOVXSKESA-N 1 1 307.354 -1.370 20 0 DAADMO COc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001374677889 920687094 /nfs/dbraw/zinc/68/70/94/920687094.db2.gz LJALVYAJGCLHJY-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1)c1nnnn1C ZINC001374674652 920687118 /nfs/dbraw/zinc/68/71/18/920687118.db2.gz GCWDOROGUDPKCI-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccn(C)c1=O ZINC001374673742 920687862 /nfs/dbraw/zinc/68/78/62/920687862.db2.gz WDLLYNJLDQYDSQ-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccn(C)c1=O ZINC001374673740 920688227 /nfs/dbraw/zinc/68/82/27/920688227.db2.gz WDLLYNJLDQYDSQ-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001374679635 920690785 /nfs/dbraw/zinc/69/07/85/920690785.db2.gz RCFIAQAYLNTFAW-QWRGUYRKSA-N 1 1 324.385 -1.607 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001374686124 920693806 /nfs/dbraw/zinc/69/38/06/920693806.db2.gz SQRUWBJUNJCCKQ-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO CC(=O)NCC(=O)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001374729923 920700182 /nfs/dbraw/zinc/70/01/82/920700182.db2.gz HJUTVKRKWIPZDG-HNNXBMFYSA-N 1 1 308.382 -1.065 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001374753538 920705580 /nfs/dbraw/zinc/70/55/80/920705580.db2.gz CPABXBCOECNCOM-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)Cn2cnnn2)C1 ZINC001374788525 920709020 /nfs/dbraw/zinc/70/90/20/920709020.db2.gz LPTJMNBUICIGOO-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001374788514 920709358 /nfs/dbraw/zinc/70/93/58/920709358.db2.gz PVQHRNSYULYQPS-MPPDQPJWSA-N 1 1 324.385 -1.144 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374806167 920712790 /nfs/dbraw/zinc/71/27/90/920712790.db2.gz AOUIVTWHDBHEJE-APPZFPTMSA-N 1 1 307.358 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001374836176 920718381 /nfs/dbraw/zinc/71/83/81/920718381.db2.gz RCCLXFGSEZEIIS-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001374840153 920718753 /nfs/dbraw/zinc/71/87/53/920718753.db2.gz FBRCTZUSGMEHMU-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001374848894 920720851 /nfs/dbraw/zinc/72/08/51/920720851.db2.gz ZNRXPQXBOAFMHV-HTQZYQBOSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)Cn1cnnn1 ZINC001374861652 920721512 /nfs/dbraw/zinc/72/15/12/920721512.db2.gz PTMSTTYGHNOSCL-JTQLQIEISA-N 1 1 319.373 -1.105 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)c1cnn[nH]1 ZINC001374906720 920727303 /nfs/dbraw/zinc/72/73/03/920727303.db2.gz QWYCHJMHVQMSDL-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)Cn1ncnn1 ZINC001374889458 920727363 /nfs/dbraw/zinc/72/73/63/920727363.db2.gz KBLCYKRQXWFAAR-VIFPVBQESA-N 1 1 311.325 -1.471 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001374909662 920729732 /nfs/dbraw/zinc/72/97/32/920729732.db2.gz GCDUFRXRQMIGLT-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001374935802 920731608 /nfs/dbraw/zinc/73/16/08/920731608.db2.gz MFFFIPNYRQRAAP-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO CCn1nc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)ccc1=O ZINC001374945173 920733565 /nfs/dbraw/zinc/73/35/65/920733565.db2.gz YXEOZKJORPNVJD-VIFPVBQESA-N 1 1 320.357 -1.305 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003255 920735950 /nfs/dbraw/zinc/73/59/50/920735950.db2.gz QPUMAZIQTAVTPP-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003255 920735960 /nfs/dbraw/zinc/73/59/60/920735960.db2.gz QPUMAZIQTAVTPP-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001375035165 920737861 /nfs/dbraw/zinc/73/78/61/920737861.db2.gz DZEVQIBOQVNZRM-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001375035165 920737872 /nfs/dbraw/zinc/73/78/72/920737872.db2.gz DZEVQIBOQVNZRM-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)Cn1ncnn1 ZINC001375035935 920737917 /nfs/dbraw/zinc/73/79/17/920737917.db2.gz HKURXVIXXSBKGB-RYUDHWBXSA-N 1 1 322.373 -1.633 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001375030000 920738220 /nfs/dbraw/zinc/73/82/20/920738220.db2.gz ONHFDKQWDWPPMZ-GWCFXTLKSA-N 1 1 301.387 -1.092 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001375036712 920738656 /nfs/dbraw/zinc/73/86/56/920738656.db2.gz JSKJRGPPBKCMEN-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001375036712 920738667 /nfs/dbraw/zinc/73/86/67/920738667.db2.gz JSKJRGPPBKCMEN-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375025902 920739215 /nfs/dbraw/zinc/73/92/15/920739215.db2.gz ZMUFQOCBFNPSSJ-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375025902 920739225 /nfs/dbraw/zinc/73/92/25/920739225.db2.gz ZMUFQOCBFNPSSJ-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001375031740 920740145 /nfs/dbraw/zinc/74/01/45/920740145.db2.gz PFZNSNOYOGFWKO-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001375031740 920740160 /nfs/dbraw/zinc/74/01/60/920740160.db2.gz PFZNSNOYOGFWKO-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042388 920741319 /nfs/dbraw/zinc/74/13/19/920741319.db2.gz DMORJPWXANOZFF-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042388 920741335 /nfs/dbraw/zinc/74/13/35/920741335.db2.gz DMORJPWXANOZFF-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375061190 920741425 /nfs/dbraw/zinc/74/14/25/920741425.db2.gz QRQZARSYHRZTQV-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375061190 920741436 /nfs/dbraw/zinc/74/14/36/920741436.db2.gz QRQZARSYHRZTQV-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)nn2c1 ZINC001375052092 920741780 /nfs/dbraw/zinc/74/17/80/920741780.db2.gz SJIIWMKKDZKLJS-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)nn2c1 ZINC001375052092 920741787 /nfs/dbraw/zinc/74/17/87/920741787.db2.gz SJIIWMKKDZKLJS-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038966 920741850 /nfs/dbraw/zinc/74/18/50/920741850.db2.gz YQRXUXRRNBDNJB-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038966 920741862 /nfs/dbraw/zinc/74/18/62/920741862.db2.gz YQRXUXRRNBDNJB-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064398 920742401 /nfs/dbraw/zinc/74/24/01/920742401.db2.gz ZEBOIDHPIGWNDH-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064398 920742431 /nfs/dbraw/zinc/74/24/31/920742431.db2.gz ZEBOIDHPIGWNDH-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001375074326 920742498 /nfs/dbraw/zinc/74/24/98/920742498.db2.gz XLSCKTRYWQOENG-WDEREUQCSA-N 1 1 315.374 -1.974 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001375058461 920742592 /nfs/dbraw/zinc/74/25/92/920742592.db2.gz VUYDWNMAVAVWTF-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)CN1CCCS1(=O)=O ZINC001375042346 920742753 /nfs/dbraw/zinc/74/27/53/920742753.db2.gz CTRRFCFGTYRQAV-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001375062559 920743196 /nfs/dbraw/zinc/74/31/96/920743196.db2.gz HHVLTFUQRKVJDT-MRVPVSSYSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040613 920743841 /nfs/dbraw/zinc/74/38/41/920743841.db2.gz VMCDNZSRGIQGDI-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040613 920743853 /nfs/dbraw/zinc/74/38/53/920743853.db2.gz VMCDNZSRGIQGDI-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)nn2c1 ZINC001375052095 920744025 /nfs/dbraw/zinc/74/40/25/920744025.db2.gz SJIIWMKKDZKLJS-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)nn2c1 ZINC001375052095 920744051 /nfs/dbraw/zinc/74/40/51/920744051.db2.gz SJIIWMKKDZKLJS-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001375055852 920744260 /nfs/dbraw/zinc/74/42/60/920744260.db2.gz PCNZBRPNHSAESB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001375055852 920744272 /nfs/dbraw/zinc/74/42/72/920744272.db2.gz PCNZBRPNHSAESB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001375091047 920745668 /nfs/dbraw/zinc/74/56/68/920745668.db2.gz VLZGOQIURRRJJW-ZETCQYMHSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001375091047 920745681 /nfs/dbraw/zinc/74/56/81/920745681.db2.gz VLZGOQIURRRJJW-ZETCQYMHSA-N 1 1 311.346 -1.381 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001375086289 920745867 /nfs/dbraw/zinc/74/58/67/920745867.db2.gz NOQRJRPJPADBPP-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375097626 920746643 /nfs/dbraw/zinc/74/66/43/920746643.db2.gz YLFAMSKCVZARIZ-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375097626 920746662 /nfs/dbraw/zinc/74/66/62/920746662.db2.gz YLFAMSKCVZARIZ-QMMMGPOBSA-N 1 1 324.341 -1.724 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001375090187 920746804 /nfs/dbraw/zinc/74/68/04/920746804.db2.gz UZFWUMRYWQADEM-MNOVXSKESA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001375086291 920747673 /nfs/dbraw/zinc/74/76/73/920747673.db2.gz NOQRJRPJPADBPP-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001375154022 920748557 /nfs/dbraw/zinc/74/85/57/920748557.db2.gz POCPVPCOMAQBKT-IUCAKERBSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001375154022 920748573 /nfs/dbraw/zinc/74/85/73/920748573.db2.gz POCPVPCOMAQBKT-IUCAKERBSA-N 1 1 312.374 -1.799 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(C)C ZINC001375154405 920748708 /nfs/dbraw/zinc/74/87/08/920748708.db2.gz OHKCXWKYXKCYHZ-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(C)C ZINC001375154405 920748715 /nfs/dbraw/zinc/74/87/15/920748715.db2.gz OHKCXWKYXKCYHZ-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158431 920748955 /nfs/dbraw/zinc/74/89/55/920748955.db2.gz KOZBZZLTQVDGGG-NXEZZACHSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158431 920748965 /nfs/dbraw/zinc/74/89/65/920748965.db2.gz KOZBZZLTQVDGGG-NXEZZACHSA-N 1 1 311.386 -1.092 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001375125303 920749590 /nfs/dbraw/zinc/74/95/90/920749590.db2.gz CLMKHSYDNXMGDQ-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158436 920750336 /nfs/dbraw/zinc/75/03/36/920750336.db2.gz KOZBZZLTQVDGGG-VHSXEESVSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001375158436 920750347 /nfs/dbraw/zinc/75/03/47/920750347.db2.gz KOZBZZLTQVDGGG-VHSXEESVSA-N 1 1 311.386 -1.092 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001375157773 920750934 /nfs/dbraw/zinc/75/09/34/920750934.db2.gz IASOAOOAEGUZEG-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147243 920751105 /nfs/dbraw/zinc/75/11/05/920751105.db2.gz CSDVNUKTAUTOFW-BDAKNGLRSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cncn1 ZINC001375147243 920751117 /nfs/dbraw/zinc/75/11/17/920751117.db2.gz CSDVNUKTAUTOFW-BDAKNGLRSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@H](C[N@H+](C)CCF)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001375137188 920751355 /nfs/dbraw/zinc/75/13/55/920751355.db2.gz VPFOCNQVYFGPRC-NXEZZACHSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@H](C[N@@H+](C)CCF)NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001375137188 920751369 /nfs/dbraw/zinc/75/13/69/920751369.db2.gz VPFOCNQVYFGPRC-NXEZZACHSA-N 1 1 315.353 -1.416 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1cnnn1C)C1CC1 ZINC001375227583 920757566 /nfs/dbraw/zinc/75/75/66/920757566.db2.gz OOILBKMXXIKGMV-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)COC ZINC001375308401 920762604 /nfs/dbraw/zinc/76/26/04/920762604.db2.gz UNDJCUFZVYHBNA-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001375322340 920766926 /nfs/dbraw/zinc/76/69/26/920766926.db2.gz JYGDIGDEQPOAJY-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001375356258 920770246 /nfs/dbraw/zinc/77/02/46/920770246.db2.gz LCRHMUHSJFKGLA-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001375374747 920770886 /nfs/dbraw/zinc/77/08/86/920770886.db2.gz DSHOFJZTPLODLY-GHMZBOCLSA-N 1 1 305.400 -1.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001375374923 920771073 /nfs/dbraw/zinc/77/10/73/920771073.db2.gz FSNODYBSQSXPBV-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](O)C1 ZINC001375426335 920771805 /nfs/dbraw/zinc/77/18/05/920771805.db2.gz BBTOCEIDLXHZET-YUTCNCBUSA-N 1 1 321.377 -1.042 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405786 920772256 /nfs/dbraw/zinc/77/22/56/920772256.db2.gz OEHXCISWQIPCBG-MNOVXSKESA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405786 920772270 /nfs/dbraw/zinc/77/22/70/920772270.db2.gz OEHXCISWQIPCBG-MNOVXSKESA-N 1 1 323.401 -1.160 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001375396064 920772442 /nfs/dbraw/zinc/77/24/42/920772442.db2.gz ARPRDDCXLZQFFX-DTWKUNHWSA-N 1 1 323.353 -1.344 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1)Nc1ccon1 ZINC001375412331 920772706 /nfs/dbraw/zinc/77/27/06/920772706.db2.gz GDOMXDPMXNCQBK-MRVPVSSYSA-N 1 1 323.309 -1.040 20 0 DAADMO Cn1cnnc1CNC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001375403233 920773486 /nfs/dbraw/zinc/77/34/86/920773486.db2.gz ABFHFPMUAGXIMS-LLVKDONJSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cnnc1CNC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001375403233 920773497 /nfs/dbraw/zinc/77/34/97/920773497.db2.gz ABFHFPMUAGXIMS-LLVKDONJSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001375403561 920773918 /nfs/dbraw/zinc/77/39/18/920773918.db2.gz BPZHGVTYPHRDOJ-JTQLQIEISA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001375403561 920773926 /nfs/dbraw/zinc/77/39/26/920773926.db2.gz BPZHGVTYPHRDOJ-JTQLQIEISA-N 1 1 309.374 -1.721 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405785 920773988 /nfs/dbraw/zinc/77/39/88/920773988.db2.gz OEHXCISWQIPCBG-GHMZBOCLSA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@@H](NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405785 920774005 /nfs/dbraw/zinc/77/40/05/920774005.db2.gz OEHXCISWQIPCBG-GHMZBOCLSA-N 1 1 323.401 -1.160 20 0 DAADMO Cn1cnn(CC(=O)NCC2([NH2+]Cc3cnns3)CC2)c1=O ZINC001375435815 920776405 /nfs/dbraw/zinc/77/64/05/920776405.db2.gz LPSYYMZRVZRMFH-UHFFFAOYSA-N 1 1 323.382 -1.128 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCS(N)(=O)=O ZINC001375459980 920778069 /nfs/dbraw/zinc/77/80/69/920778069.db2.gz SGVMCFGSNHHMGG-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCC(=O)N3C)CC2)nc1=O ZINC001375478124 920779394 /nfs/dbraw/zinc/77/93/94/920779394.db2.gz NQZFFHYBOJLWRW-SECBINFHSA-N 1 1 322.369 -1.532 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](O)COC ZINC001375476802 920780397 /nfs/dbraw/zinc/78/03/97/920780397.db2.gz PSXJBYVAWCRYKQ-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](O)COC ZINC001375476802 920780404 /nfs/dbraw/zinc/78/04/04/920780404.db2.gz PSXJBYVAWCRYKQ-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)CN2CCOCC2)CC1 ZINC001375546525 920782084 /nfs/dbraw/zinc/78/20/84/920782084.db2.gz YPATVHWRFMCUEE-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001375579991 920786155 /nfs/dbraw/zinc/78/61/55/920786155.db2.gz KKZOPZYQLLHJLT-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC(N)=O ZINC001375613825 920788198 /nfs/dbraw/zinc/78/81/98/920788198.db2.gz VDSDWSPMKPNRQH-QCNOEVLYSA-N 1 1 324.381 -1.004 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1 ZINC001375606613 920789725 /nfs/dbraw/zinc/78/97/25/920789725.db2.gz RHNIJCOACINCOL-SECBINFHSA-N 1 1 309.326 -1.448 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(N)=O)C1 ZINC001375610414 920790570 /nfs/dbraw/zinc/79/05/70/920790570.db2.gz NLQUPIJSAHTEPL-BJDJZHNGSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001375622085 920790785 /nfs/dbraw/zinc/79/07/85/920790785.db2.gz CZTCLHPZERSZJN-LBPRGKRZSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001375622085 920790795 /nfs/dbraw/zinc/79/07/95/920790795.db2.gz CZTCLHPZERSZJN-LBPRGKRZSA-N 1 1 307.354 -1.139 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375607494 920790893 /nfs/dbraw/zinc/79/08/93/920790893.db2.gz LVAIGCMNMJHPFN-WCBMZHEXSA-N 1 1 323.357 -1.407 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001375607494 920790904 /nfs/dbraw/zinc/79/09/04/920790904.db2.gz LVAIGCMNMJHPFN-WCBMZHEXSA-N 1 1 323.357 -1.407 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001375620331 920791085 /nfs/dbraw/zinc/79/10/85/920791085.db2.gz MBNOAOATUKQPOA-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001375640714 920792190 /nfs/dbraw/zinc/79/21/90/920792190.db2.gz WVSVKZSJQQSEDF-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001375632775 920792773 /nfs/dbraw/zinc/79/27/73/920792773.db2.gz WNMFOYXGUMXKQO-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001375632775 920792787 /nfs/dbraw/zinc/79/27/87/920792787.db2.gz WNMFOYXGUMXKQO-SNVBAGLBSA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1nccc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375638310 920793884 /nfs/dbraw/zinc/79/38/84/920793884.db2.gz YVYKNOOKDVOVFH-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1nccc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375638310 920793896 /nfs/dbraw/zinc/79/38/96/920793896.db2.gz YVYKNOOKDVOVFH-LLVKDONJSA-N 1 1 309.370 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001375640711 920794536 /nfs/dbraw/zinc/79/45/36/920794536.db2.gz WVSVKZSJQQSEDF-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001375662647 920794606 /nfs/dbraw/zinc/79/46/06/920794606.db2.gz WPVZVUXTXJYGOC-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H]1C ZINC001375662647 920794611 /nfs/dbraw/zinc/79/46/11/920794611.db2.gz WPVZVUXTXJYGOC-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001375688951 920795720 /nfs/dbraw/zinc/79/57/20/920795720.db2.gz VVKSZUGQLSFUMF-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001375671767 920796679 /nfs/dbraw/zinc/79/66/79/920796679.db2.gz RGILJKJRSYTBPW-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001375672859 920796915 /nfs/dbraw/zinc/79/69/15/920796915.db2.gz SRRDSYRPEQNADH-JQWIXIFHSA-N 1 1 324.385 -1.557 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001375718917 920800333 /nfs/dbraw/zinc/80/03/33/920800333.db2.gz RFVRFFYRACXATM-SNVBAGLBSA-N 1 1 324.385 -1.011 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001375742971 920801537 /nfs/dbraw/zinc/80/15/37/920801537.db2.gz KAJFXAOKEGFPLI-DTWKUNHWSA-N 1 1 310.362 -1.653 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001375746729 920804159 /nfs/dbraw/zinc/80/41/59/920804159.db2.gz UVEYAKYMIAUVFQ-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001375757677 920805808 /nfs/dbraw/zinc/80/58/08/920805808.db2.gz TXOXUZAPKGDJKT-VHSXEESVSA-N 1 1 324.389 -1.219 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001375763583 920805934 /nfs/dbraw/zinc/80/59/34/920805934.db2.gz WHUXXVBBCCPCDY-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001375746919 920805997 /nfs/dbraw/zinc/80/59/97/920805997.db2.gz VSGFOBKBJRXJQZ-MWLCHTKSSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001375749938 920806622 /nfs/dbraw/zinc/80/66/22/920806622.db2.gz SKICUOXLCHPPIP-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001375826228 920807583 /nfs/dbraw/zinc/80/75/83/920807583.db2.gz DGBZKRLLXUKTGI-QMTHXVAHSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001375826228 920807597 /nfs/dbraw/zinc/80/75/97/920807597.db2.gz DGBZKRLLXUKTGI-QMTHXVAHSA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001375833024 920808902 /nfs/dbraw/zinc/80/89/02/920808902.db2.gz WCXOOFMTTWMQPW-LBPRGKRZSA-N 1 1 318.399 -1.912 20 0 DAADMO C[C@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001375833024 920808914 /nfs/dbraw/zinc/80/89/14/920808914.db2.gz WCXOOFMTTWMQPW-LBPRGKRZSA-N 1 1 318.399 -1.912 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001375812867 920810386 /nfs/dbraw/zinc/81/03/86/920810386.db2.gz PNLYTNKZSJLUDF-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001375812867 920810400 /nfs/dbraw/zinc/81/04/00/920810400.db2.gz PNLYTNKZSJLUDF-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827968 920810440 /nfs/dbraw/zinc/81/04/40/920810440.db2.gz GTLQJJDXLWRKQB-YGRLFVJLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827968 920810453 /nfs/dbraw/zinc/81/04/53/920810453.db2.gz GTLQJJDXLWRKQB-YGRLFVJLSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001375825819 920810728 /nfs/dbraw/zinc/81/07/28/920810728.db2.gz DGBZKRLLXUKTGI-IINYFYTJSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001375825819 920810742 /nfs/dbraw/zinc/81/07/42/920810742.db2.gz DGBZKRLLXUKTGI-IINYFYTJSA-N 1 1 322.369 -1.949 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375849565 920813336 /nfs/dbraw/zinc/81/33/36/920813336.db2.gz XICSQLMNHKUPTJ-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950310 920813537 /nfs/dbraw/zinc/81/35/37/920813537.db2.gz LAZFTOZALZRXRB-RNCFNFMXSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950310 920813549 /nfs/dbraw/zinc/81/35/49/920813549.db2.gz LAZFTOZALZRXRB-RNCFNFMXSA-N 1 1 309.374 -1.084 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375855394 920814335 /nfs/dbraw/zinc/81/43/35/920814335.db2.gz PHDGHGQAAXGWIZ-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cnn1C ZINC001375994411 920816592 /nfs/dbraw/zinc/81/65/92/920816592.db2.gz MWPSMUZEQJLHHO-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cnn1C ZINC001375994411 920816600 /nfs/dbraw/zinc/81/66/00/920816600.db2.gz MWPSMUZEQJLHHO-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001375990752 920817054 /nfs/dbraw/zinc/81/70/54/920817054.db2.gz UZFNLPJCKVQLDG-YPMHNXCESA-N 1 1 320.411 -1.380 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001375990752 920817066 /nfs/dbraw/zinc/81/70/66/920817066.db2.gz UZFNLPJCKVQLDG-YPMHNXCESA-N 1 1 320.411 -1.380 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001375999133 920818755 /nfs/dbraw/zinc/81/87/55/920818755.db2.gz RQTNLJUACLGCGA-CHWSQXEVSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001375996846 920819343 /nfs/dbraw/zinc/81/93/43/920819343.db2.gz KIQGPTGIPAPEQY-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CCC2)C1 ZINC001375996846 920819358 /nfs/dbraw/zinc/81/93/58/920819358.db2.gz KIQGPTGIPAPEQY-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001375998506 920819745 /nfs/dbraw/zinc/81/97/45/920819745.db2.gz PLQMUBORPZASFD-OAHLLOKOSA-N 1 1 324.381 -1.453 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001376001448 920820086 /nfs/dbraw/zinc/82/00/86/920820086.db2.gz DVOBDVWHYUAABB-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001376001448 920820093 /nfs/dbraw/zinc/82/00/93/920820093.db2.gz DVOBDVWHYUAABB-CQSZACIVSA-N 1 1 309.370 -1.027 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001376003284 920820505 /nfs/dbraw/zinc/82/05/05/920820505.db2.gz ITOYIXBKCFFSIV-TZMCWYRMSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997063 920820734 /nfs/dbraw/zinc/82/07/34/920820734.db2.gz XSLIPUPTSBTARN-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997063 920820745 /nfs/dbraw/zinc/82/07/45/920820745.db2.gz XSLIPUPTSBTARN-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001376003282 920820847 /nfs/dbraw/zinc/82/08/47/920820847.db2.gz ITOYIXBKCFFSIV-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375999899 920820968 /nfs/dbraw/zinc/82/09/68/920820968.db2.gz XIEITIZFAJYUBY-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375999899 920820980 /nfs/dbraw/zinc/82/09/80/920820980.db2.gz XIEITIZFAJYUBY-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001375999332 920821050 /nfs/dbraw/zinc/82/10/50/920821050.db2.gz VDPWFYGFNGRCRD-ZWNOBZJWSA-N 1 1 323.357 -2.495 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001375998505 920821670 /nfs/dbraw/zinc/82/16/70/920821670.db2.gz PLQMUBORPZASFD-HNNXBMFYSA-N 1 1 324.381 -1.453 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001375999136 920822230 /nfs/dbraw/zinc/82/22/30/920822230.db2.gz RQTNLJUACLGCGA-STQMWFEESA-N 1 1 319.427 -1.159 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376012289 920823741 /nfs/dbraw/zinc/82/37/41/920823741.db2.gz PZMFWMIUMSCQJL-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376012289 920823748 /nfs/dbraw/zinc/82/37/48/920823748.db2.gz PZMFWMIUMSCQJL-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376017202 920824656 /nfs/dbraw/zinc/82/46/56/920824656.db2.gz VBTVQIKMZSEVCB-AAEUAGOBSA-N 1 1 322.427 -1.255 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001376030069 920824931 /nfs/dbraw/zinc/82/49/31/920824931.db2.gz DQOAKFJCOLGBKV-RNCFNFMXSA-N 1 1 315.374 -2.397 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001376011777 920825425 /nfs/dbraw/zinc/82/54/25/920825425.db2.gz UPVDCOYZJBZYTN-ZDUSSCGKSA-N 1 1 308.342 -2.029 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001376011777 920825434 /nfs/dbraw/zinc/82/54/34/920825434.db2.gz UPVDCOYZJBZYTN-ZDUSSCGKSA-N 1 1 308.342 -2.029 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376010467 920825464 /nfs/dbraw/zinc/82/54/64/920825464.db2.gz NXEAMDCEBQUBKX-ZANVPECISA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376010467 920825477 /nfs/dbraw/zinc/82/54/77/920825477.db2.gz NXEAMDCEBQUBKX-ZANVPECISA-N 1 1 300.359 -2.109 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)cn1 ZINC001376028336 920825849 /nfs/dbraw/zinc/82/58/49/920825849.db2.gz AJHQYFHVEHJSSR-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cn[nH]c1 ZINC001376009958 920826489 /nfs/dbraw/zinc/82/64/89/920826489.db2.gz NFYFSTAYOBWCEJ-SMDDNHRTSA-N 1 1 307.354 -1.145 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001376007890 920826592 /nfs/dbraw/zinc/82/65/92/920826592.db2.gz MPQPOAYPIRAKIK-WFASDCNBSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001376007890 920826604 /nfs/dbraw/zinc/82/66/04/920826604.db2.gz MPQPOAYPIRAKIK-WFASDCNBSA-N 1 1 321.381 -1.367 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001376014321 920826783 /nfs/dbraw/zinc/82/67/83/920826783.db2.gz WJBXXGKLKVURKU-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001376014321 920826794 /nfs/dbraw/zinc/82/67/94/920826794.db2.gz WJBXXGKLKVURKU-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 ZINC001376031187 920827655 /nfs/dbraw/zinc/82/76/55/920827655.db2.gz FVSYGGYQISHWDO-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C)CC2)C1 ZINC001376031187 920827661 /nfs/dbraw/zinc/82/76/61/920827661.db2.gz FVSYGGYQISHWDO-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376039190 920828217 /nfs/dbraw/zinc/82/82/17/920828217.db2.gz PYKOWIWUJRCQRM-CQSZACIVSA-N 1 1 324.385 -1.492 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001376039190 920828235 /nfs/dbraw/zinc/82/82/35/920828235.db2.gz PYKOWIWUJRCQRM-CQSZACIVSA-N 1 1 324.385 -1.492 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001376031094 920829362 /nfs/dbraw/zinc/82/93/62/920829362.db2.gz FIHXYIBRWSQIAR-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001376031094 920829379 /nfs/dbraw/zinc/82/93/79/920829379.db2.gz FIHXYIBRWSQIAR-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001376030703 920829416 /nfs/dbraw/zinc/82/94/16/920829416.db2.gz DURFJMBGNQTXSV-UKRRQHHQSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001376030703 920829431 /nfs/dbraw/zinc/82/94/31/920829431.db2.gz DURFJMBGNQTXSV-UKRRQHHQSA-N 1 1 313.398 -1.211 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001376036074 920829665 /nfs/dbraw/zinc/82/96/65/920829665.db2.gz NBDXESNTGBFUQS-UKRRQHHQSA-N 1 1 324.381 -1.041 20 0 DAADMO O=C(CNC(=O)N1CCCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376038704 920829750 /nfs/dbraw/zinc/82/97/50/920829750.db2.gz RYFLFYNEDPTSHC-AWEZNQCLSA-N 1 1 314.386 -1.663 20 0 DAADMO O=C(CNC(=O)N1CCCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376038725 920830048 /nfs/dbraw/zinc/83/00/48/920830048.db2.gz RYFLFYNEDPTSHC-CQSZACIVSA-N 1 1 314.386 -1.663 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001376040038 920830089 /nfs/dbraw/zinc/83/00/89/920830089.db2.gz UTCSRRAYICRYKF-SKDRFNHKSA-N 1 1 311.346 -2.510 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376033657 920830772 /nfs/dbraw/zinc/83/07/72/920830772.db2.gz JJURHERDOANPEW-SMDDNHRTSA-N 1 1 317.386 -1.927 20 0 DAADMO Cc1c(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cnn1C ZINC001376039022 920831141 /nfs/dbraw/zinc/83/11/41/920831141.db2.gz BPRVGRZAFXDFKM-XHDPSFHLSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1c(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cnn1C ZINC001376039022 920831152 /nfs/dbraw/zinc/83/11/52/920831152.db2.gz BPRVGRZAFXDFKM-XHDPSFHLSA-N 1 1 323.397 -1.302 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001376041227 920832530 /nfs/dbraw/zinc/83/25/30/920832530.db2.gz ZDERTYAQNRNCIW-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376045075 920832835 /nfs/dbraw/zinc/83/28/35/920832835.db2.gz ITJAJJJFKSZQJD-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376045075 920832847 /nfs/dbraw/zinc/83/28/47/920832847.db2.gz ITJAJJJFKSZQJD-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376045073 920832881 /nfs/dbraw/zinc/83/28/81/920832881.db2.gz ITJAJJJFKSZQJD-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376045073 920832897 /nfs/dbraw/zinc/83/28/97/920832897.db2.gz ITJAJJJFKSZQJD-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376044640 920833010 /nfs/dbraw/zinc/83/30/10/920833010.db2.gz PVFLGKMDGQSNIS-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376044640 920833018 /nfs/dbraw/zinc/83/30/18/920833018.db2.gz PVFLGKMDGQSNIS-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ncc[nH]1 ZINC001376041085 920833064 /nfs/dbraw/zinc/83/30/64/920833064.db2.gz XECLKUANRYSYLE-YGRLFVJLSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376047138 920833315 /nfs/dbraw/zinc/83/33/15/920833315.db2.gz IJZYGJGJAHQVAK-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376047138 920833321 /nfs/dbraw/zinc/83/33/21/920833321.db2.gz IJZYGJGJAHQVAK-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376047115 920833342 /nfs/dbraw/zinc/83/33/42/920833342.db2.gz IJZYGJGJAHQVAK-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376047115 920833349 /nfs/dbraw/zinc/83/33/49/920833349.db2.gz IJZYGJGJAHQVAK-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001376046035 920833394 /nfs/dbraw/zinc/83/33/94/920833394.db2.gz FMUZUBVEQNVWEY-QPWGVFISSA-N 1 1 309.366 -1.552 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001376046035 920833401 /nfs/dbraw/zinc/83/34/01/920833401.db2.gz FMUZUBVEQNVWEY-QPWGVFISSA-N 1 1 309.366 -1.552 20 0 DAADMO C[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042115 920833906 /nfs/dbraw/zinc/83/39/06/920833906.db2.gz KNENIFVFRIWMJH-IAQYHMDHSA-N 1 1 312.414 -1.103 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001376043385 920834816 /nfs/dbraw/zinc/83/48/16/920834816.db2.gz DPUNXCNQFFIYDT-IINYFYTJSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001376043385 920834823 /nfs/dbraw/zinc/83/48/23/920834823.db2.gz DPUNXCNQFFIYDT-IINYFYTJSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001376043115 920834902 /nfs/dbraw/zinc/83/49/02/920834902.db2.gz CHQXEQCJGUJVSY-OAHLLOKOSA-N 1 1 321.381 -1.060 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001376043115 920834922 /nfs/dbraw/zinc/83/49/22/920834922.db2.gz CHQXEQCJGUJVSY-OAHLLOKOSA-N 1 1 321.381 -1.060 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001376050247 920837032 /nfs/dbraw/zinc/83/70/32/920837032.db2.gz NPSXPSIWTRKCLQ-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048690 920837444 /nfs/dbraw/zinc/83/74/44/920837444.db2.gz WXTQURYOMHTXDF-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048690 920837459 /nfs/dbraw/zinc/83/74/59/920837459.db2.gz WXTQURYOMHTXDF-HZMBPMFUSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCn2cncc2C1 ZINC001376059001 920837547 /nfs/dbraw/zinc/83/75/47/920837547.db2.gz UHSOWTFHPKEHJD-IUODEOHRSA-N 1 1 308.382 -1.009 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001376049874 920837807 /nfs/dbraw/zinc/83/78/07/920837807.db2.gz MKVCWVLAVFBKLG-JTQLQIEISA-N 1 1 312.367 -2.437 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001376049874 920837822 /nfs/dbraw/zinc/83/78/22/920837822.db2.gz MKVCWVLAVFBKLG-JTQLQIEISA-N 1 1 312.367 -2.437 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376051318 920838177 /nfs/dbraw/zinc/83/81/77/920838177.db2.gz WLGFKWNSVWZWLP-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001376059083 920839617 /nfs/dbraw/zinc/83/96/17/920839617.db2.gz URYASQIFRMDTHT-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001376059083 920839634 /nfs/dbraw/zinc/83/96/34/920839634.db2.gz URYASQIFRMDTHT-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001376066064 920840352 /nfs/dbraw/zinc/84/03/52/920840352.db2.gz DFBXZKFIANCZBB-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001376066064 920840362 /nfs/dbraw/zinc/84/03/62/920840362.db2.gz DFBXZKFIANCZBB-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001376061800 920840713 /nfs/dbraw/zinc/84/07/13/920840713.db2.gz ROYAUFGLKRFOCX-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001376056189 920840825 /nfs/dbraw/zinc/84/08/25/920840825.db2.gz YKWIBUFLUDEHPL-PKFCDNJMSA-N 1 1 312.370 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001376056189 920840834 /nfs/dbraw/zinc/84/08/34/920840834.db2.gz YKWIBUFLUDEHPL-PKFCDNJMSA-N 1 1 312.370 -1.349 20 0 DAADMO O=C(Cc1cnoc1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376077085 920842380 /nfs/dbraw/zinc/84/23/80/920842380.db2.gz HEYLRJNQDIDGFH-BXUZGUMPSA-N 1 1 308.338 -1.341 20 0 DAADMO O=C(Cc1cnoc1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376077085 920842392 /nfs/dbraw/zinc/84/23/92/920842392.db2.gz HEYLRJNQDIDGFH-BXUZGUMPSA-N 1 1 308.338 -1.341 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1)C(N)=O ZINC001376067344 920842622 /nfs/dbraw/zinc/84/26/22/920842622.db2.gz QIKYFTWVKJMONB-MNOVXSKESA-N 1 1 300.359 -2.061 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001376075471 920844527 /nfs/dbraw/zinc/84/45/27/920844527.db2.gz COOJQXHFIUILCD-JSGCOSHPSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075471 920844542 /nfs/dbraw/zinc/84/45/42/920844542.db2.gz COOJQXHFIUILCD-JSGCOSHPSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075471 920844550 /nfs/dbraw/zinc/84/45/50/920844550.db2.gz COOJQXHFIUILCD-JSGCOSHPSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1C ZINC001376075184 920844657 /nfs/dbraw/zinc/84/46/57/920844657.db2.gz DIUSAJXGONIBJW-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1C ZINC001376075184 920844670 /nfs/dbraw/zinc/84/46/70/920844670.db2.gz DIUSAJXGONIBJW-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001376088700 920846482 /nfs/dbraw/zinc/84/64/82/920846482.db2.gz KTVGENORDYPXBI-IUODEOHRSA-N 1 1 324.381 -1.433 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001376088712 920848125 /nfs/dbraw/zinc/84/81/25/920848125.db2.gz KTVGENORDYPXBI-SWLSCSKDSA-N 1 1 324.381 -1.433 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001376088647 920848274 /nfs/dbraw/zinc/84/82/74/920848274.db2.gz KTVGENORDYPXBI-DOMZBBRYSA-N 1 1 324.381 -1.433 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001376084740 920849155 /nfs/dbraw/zinc/84/91/55/920849155.db2.gz AOIKZHXGWMPLCW-OAHLLOKOSA-N 1 1 323.397 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001376084740 920849172 /nfs/dbraw/zinc/84/91/72/920849172.db2.gz AOIKZHXGWMPLCW-OAHLLOKOSA-N 1 1 323.397 -1.014 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001376085227 920849209 /nfs/dbraw/zinc/84/92/09/920849209.db2.gz ZDHHPJSNHQIDGT-TYNCELHUSA-N 1 1 321.381 -1.406 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001376085227 920849230 /nfs/dbraw/zinc/84/92/30/920849230.db2.gz ZDHHPJSNHQIDGT-TYNCELHUSA-N 1 1 321.381 -1.406 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001376097232 920850711 /nfs/dbraw/zinc/85/07/11/920850711.db2.gz OZFDGAXLBPIVOZ-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001376097232 920850716 /nfs/dbraw/zinc/85/07/16/920850716.db2.gz OZFDGAXLBPIVOZ-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376089441 920850754 /nfs/dbraw/zinc/85/07/54/920850754.db2.gz DZDIUGOOMHOTGO-LBPRGKRZSA-N 1 1 308.400 -1.645 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376089441 920850770 /nfs/dbraw/zinc/85/07/70/920850770.db2.gz DZDIUGOOMHOTGO-LBPRGKRZSA-N 1 1 308.400 -1.645 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001376093712 920851199 /nfs/dbraw/zinc/85/11/99/920851199.db2.gz KPYOXEXFJGYVDU-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001376093712 920851211 /nfs/dbraw/zinc/85/12/11/920851211.db2.gz KPYOXEXFJGYVDU-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001376093148 920852147 /nfs/dbraw/zinc/85/21/47/920852147.db2.gz PMLSYNQZELXIPN-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001376093148 920852159 /nfs/dbraw/zinc/85/21/59/920852159.db2.gz PMLSYNQZELXIPN-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001376096662 920852335 /nfs/dbraw/zinc/85/23/35/920852335.db2.gz ZAWBQUBPAGIUBR-BXUZGUMPSA-N 1 1 322.369 -1.890 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376089429 920852483 /nfs/dbraw/zinc/85/24/83/920852483.db2.gz DZDIUGOOMHOTGO-GFCCVEGCSA-N 1 1 308.400 -1.645 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376089429 920852497 /nfs/dbraw/zinc/85/24/97/920852497.db2.gz DZDIUGOOMHOTGO-GFCCVEGCSA-N 1 1 308.400 -1.645 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001376093155 920852620 /nfs/dbraw/zinc/85/26/20/920852620.db2.gz PMLSYNQZELXIPN-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001376093155 920852637 /nfs/dbraw/zinc/85/26/37/920852637.db2.gz PMLSYNQZELXIPN-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001376089179 920853281 /nfs/dbraw/zinc/85/32/81/920853281.db2.gz DCICVUZXYITGBQ-JQWIXIFHSA-N 1 1 321.399 -2.387 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001376089152 920853948 /nfs/dbraw/zinc/85/39/48/920853948.db2.gz DCICVUZXYITGBQ-CMPLNLGQSA-N 1 1 321.399 -2.387 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376096213 920853969 /nfs/dbraw/zinc/85/39/69/920853969.db2.gz SHPWUWZPKRSZDS-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccc2n[nH]c(=O)n2c1 ZINC001376095261 920854087 /nfs/dbraw/zinc/85/40/87/920854087.db2.gz JKKOZTPFMRSTIJ-CQSZACIVSA-N 1 1 321.337 -1.406 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376092668 920854232 /nfs/dbraw/zinc/85/42/32/920854232.db2.gz NWFWIQDYAPSYGH-IINYFYTJSA-N 1 1 312.370 -2.094 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376092668 920854247 /nfs/dbraw/zinc/85/42/47/920854247.db2.gz NWFWIQDYAPSYGH-IINYFYTJSA-N 1 1 312.370 -2.094 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001376097227 920855123 /nfs/dbraw/zinc/85/51/23/920855123.db2.gz OZFDGAXLBPIVOZ-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001376097227 920855133 /nfs/dbraw/zinc/85/51/33/920855133.db2.gz OZFDGAXLBPIVOZ-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376103995 920855838 /nfs/dbraw/zinc/85/58/38/920855838.db2.gz XAVGXEJBPBYECP-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001376103995 920855848 /nfs/dbraw/zinc/85/58/48/920855848.db2.gz XAVGXEJBPBYECP-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCOC)C2)C1 ZINC001376100252 920855900 /nfs/dbraw/zinc/85/59/00/920855900.db2.gz UMDRBJBGTVYMSV-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](C(N)=O)N1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001376101262 920857325 /nfs/dbraw/zinc/85/73/25/920857325.db2.gz CFAAEFOOINZEEX-CHWSQXEVSA-N 1 1 311.430 -1.454 20 0 DAADMO C[C@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001376101274 920857603 /nfs/dbraw/zinc/85/76/03/920857603.db2.gz CFAAEFOOINZEEX-OLZOCXBDSA-N 1 1 311.430 -1.454 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376103354 920858906 /nfs/dbraw/zinc/85/89/06/920858906.db2.gz ZKAVROAVDNODHY-MWLCHTKSSA-N 1 1 309.388 -2.531 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376111610 920860352 /nfs/dbraw/zinc/86/03/52/920860352.db2.gz FHSCDVUZIFAHST-WDEREUQCSA-N 1 1 324.381 -1.191 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376111610 920860360 /nfs/dbraw/zinc/86/03/60/920860360.db2.gz FHSCDVUZIFAHST-WDEREUQCSA-N 1 1 324.381 -1.191 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001376121347 920860648 /nfs/dbraw/zinc/86/06/48/920860648.db2.gz RAKVXEGKXWUNJI-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001376121347 920860665 /nfs/dbraw/zinc/86/06/65/920860665.db2.gz RAKVXEGKXWUNJI-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376111585 920863034 /nfs/dbraw/zinc/86/30/34/920863034.db2.gz FHSCDVUZIFAHST-GHMZBOCLSA-N 1 1 324.381 -1.191 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376111585 920863047 /nfs/dbraw/zinc/86/30/47/920863047.db2.gz FHSCDVUZIFAHST-GHMZBOCLSA-N 1 1 324.381 -1.191 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376128233 920865280 /nfs/dbraw/zinc/86/52/80/920865280.db2.gz MOJCQUQQNJGCJQ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376128233 920865294 /nfs/dbraw/zinc/86/52/94/920865294.db2.gz MOJCQUQQNJGCJQ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO O=C(CCn1cncn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376125371 920865391 /nfs/dbraw/zinc/86/53/91/920865391.db2.gz WDKIIBKILWDEJY-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001376128375 920865839 /nfs/dbraw/zinc/86/58/39/920865839.db2.gz NKMGBUWRMUEFEF-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001376128375 920865848 /nfs/dbraw/zinc/86/58/48/920865848.db2.gz NKMGBUWRMUEFEF-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001376126689 920866939 /nfs/dbraw/zinc/86/69/39/920866939.db2.gz ZVLRUAREBLVNAV-MFKMUULPSA-N 1 1 314.342 -1.448 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001376135843 920868010 /nfs/dbraw/zinc/86/80/10/920868010.db2.gz RINNPJCDARVPGI-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001376132125 920868190 /nfs/dbraw/zinc/86/81/90/920868190.db2.gz UFBJCVSZFXHIQA-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376132125 920868200 /nfs/dbraw/zinc/86/82/00/920868200.db2.gz UFBJCVSZFXHIQA-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001376157150 920875771 /nfs/dbraw/zinc/87/57/71/920875771.db2.gz SILWCFMHTOCJQT-VXGBXAGGSA-N 1 1 324.385 -1.507 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376149510 920875810 /nfs/dbraw/zinc/87/58/10/920875810.db2.gz TVAIEJYVBCSFRA-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001376149510 920875815 /nfs/dbraw/zinc/87/58/15/920875815.db2.gz TVAIEJYVBCSFRA-LLVKDONJSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001376157148 920876018 /nfs/dbraw/zinc/87/60/18/920876018.db2.gz SILWCFMHTOCJQT-NEPJUHHUSA-N 1 1 324.385 -1.507 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376152741 920876051 /nfs/dbraw/zinc/87/60/51/920876051.db2.gz MXLSWBAAELAFLG-MNOVXSKESA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376152741 920876055 /nfs/dbraw/zinc/87/60/55/920876055.db2.gz MXLSWBAAELAFLG-MNOVXSKESA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2cnon2)C1 ZINC001376204144 920888545 /nfs/dbraw/zinc/88/85/45/920888545.db2.gz QJNKTSKIEQWACR-UHFFFAOYSA-N 1 1 306.326 -1.062 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CCN2CCCC2=O)C1 ZINC001376221885 920892827 /nfs/dbraw/zinc/89/28/27/920892827.db2.gz BTJRDDILDWKUBT-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1cc(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)nn1 ZINC001376212908 920893655 /nfs/dbraw/zinc/89/36/55/920893655.db2.gz XDXVXEAHIKVHSK-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001376221912 920893822 /nfs/dbraw/zinc/89/38/22/920893822.db2.gz IOKNJLPYVDJIKJ-GFCCVEGCSA-N 1 1 310.398 -1.524 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001376230900 920894770 /nfs/dbraw/zinc/89/47/70/920894770.db2.gz RDODNBCIJDLFDX-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H]1C[C@@H](C[NH+]2CC(O)(CNC(=O)c3nnn(C)n3)C2)CCO1 ZINC001376225213 920896408 /nfs/dbraw/zinc/89/64/08/920896408.db2.gz KOJXSXODAFPHNK-MNOVXSKESA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@@H]3C[C@]34CCOC4)C2)n1 ZINC001376232213 920899244 /nfs/dbraw/zinc/89/92/44/920899244.db2.gz ZOMHEFSGCWXGGK-GWCFXTLKSA-N 1 1 322.369 -1.587 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](CNC(=O)c2nnn(C)n2)C2CC2)[nH]1 ZINC001376244141 920902610 /nfs/dbraw/zinc/90/26/10/920902610.db2.gz OYZJDOVGBPPCSC-VIFPVBQESA-N 1 1 305.346 -1.065 20 0 DAADMO NC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001376259999 920905526 /nfs/dbraw/zinc/90/55/26/920905526.db2.gz SIWNQGMFYDSEDZ-NWDGAFQWSA-N 1 1 310.398 -1.349 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@@H](C)C(=O)N(C)C)C1 ZINC001376265797 920908960 /nfs/dbraw/zinc/90/89/60/920908960.db2.gz CQCWJPDBAWQFAB-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001376291704 920911868 /nfs/dbraw/zinc/91/18/68/920911868.db2.gz XLCBVSAAVPXNNR-GFCCVEGCSA-N 1 1 308.386 -1.607 20 0 DAADMO CCn1ncnc1CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376288763 920911967 /nfs/dbraw/zinc/91/19/67/920911967.db2.gz CLUSLNHDAZRVNU-LBPRGKRZSA-N 1 1 322.413 -1.087 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001376277149 920912162 /nfs/dbraw/zinc/91/21/62/920912162.db2.gz RCLARUYFNQADTE-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376284435 920913128 /nfs/dbraw/zinc/91/31/28/920913128.db2.gz NFZCFHXZSBWJFT-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001376290805 920913458 /nfs/dbraw/zinc/91/34/58/920913458.db2.gz QTNPMZIVDKUMOB-CYBMUJFWSA-N 1 1 307.398 -1.002 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2ncnn2C)C1 ZINC001376297218 920915188 /nfs/dbraw/zinc/91/51/88/920915188.db2.gz LOIXOCNINGRZDQ-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001376312013 920918481 /nfs/dbraw/zinc/91/84/81/920918481.db2.gz IDMNDVXYLQPDMA-SRVKXCTJSA-N 1 1 319.427 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H](C)C(N)=O)C2)C1 ZINC001376301635 920918817 /nfs/dbraw/zinc/91/88/17/920918817.db2.gz ZAIDLRQWRDQBOK-GHMZBOCLSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H](C)C(N)=O)C2)C1 ZINC001376301635 920918833 /nfs/dbraw/zinc/91/88/33/920918833.db2.gz ZAIDLRQWRDQBOK-GHMZBOCLSA-N 1 1 314.386 -2.256 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001376326254 920922443 /nfs/dbraw/zinc/92/24/43/920922443.db2.gz YPDLIQQZZKKNGC-JTQLQIEISA-N 1 1 324.389 -1.297 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)n1 ZINC001376360617 920925342 /nfs/dbraw/zinc/92/53/42/920925342.db2.gz SLCLMWUPUUNMAP-KYZUINATSA-N 1 1 301.372 -1.404 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001376390285 920928600 /nfs/dbraw/zinc/92/86/00/920928600.db2.gz MICNIXKLBXXAMT-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001376370898 920928685 /nfs/dbraw/zinc/92/86/85/920928685.db2.gz ZRGXSAWZDFBFID-DCAQKATOSA-N 1 1 311.386 -1.227 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CCS(C)(=O)=O)C2)nn1 ZINC001376373806 920928704 /nfs/dbraw/zinc/92/87/04/920928704.db2.gz JGVMIDMIVABALD-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001376380593 920928881 /nfs/dbraw/zinc/92/88/81/920928881.db2.gz BKVRWNVFHURBSM-PHIMTYICSA-N 1 1 320.353 -1.131 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3=COCCO3)C[C@H]2C1 ZINC001376381252 920929154 /nfs/dbraw/zinc/92/91/54/920929154.db2.gz GJVAOMHTXJSGJX-AOOOYVTPSA-N 1 1 324.337 -1.540 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001376415284 920931287 /nfs/dbraw/zinc/93/12/87/920931287.db2.gz HAMIWAASDHNMGK-XQHKEYJVSA-N 1 1 311.382 -1.338 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)COCC3CC3)C[C@H]2C1 ZINC001376408531 920931751 /nfs/dbraw/zinc/93/17/51/920931751.db2.gz QNUDQBWIBRIDHJ-TXEJJXNPSA-N 1 1 324.381 -1.002 20 0 DAADMO CC(C)OCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376402386 920932744 /nfs/dbraw/zinc/93/27/44/920932744.db2.gz IMBFBZBJKQITJX-PHIMTYICSA-N 1 1 312.370 -1.004 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001376412155 920932810 /nfs/dbraw/zinc/93/28/10/920932810.db2.gz ZBPAFQTWMPQFRR-MGCOHNPYSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001376406972 920933278 /nfs/dbraw/zinc/93/32/78/920933278.db2.gz BBWDTQKNTIOEHX-BBBLOLIVSA-N 1 1 318.399 -2.200 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376402505 920933660 /nfs/dbraw/zinc/93/36/60/920933660.db2.gz JAOJNKDRJZFSFS-KXNHARMFSA-N 1 1 324.381 -1.004 20 0 DAADMO COC[C@@H](OC)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001376407466 920934281 /nfs/dbraw/zinc/93/42/81/920934281.db2.gz CGBIKYRHCDJGPS-QNWHQSFQSA-N 1 1 311.382 -1.074 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001376458748 920939650 /nfs/dbraw/zinc/93/96/50/920939650.db2.gz MZZUMAFJCIABIN-GWCFXTLKSA-N 1 1 301.343 -1.316 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001376458758 920939915 /nfs/dbraw/zinc/93/99/15/920939915.db2.gz MZZUMAFJCIABIN-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001376455422 920940191 /nfs/dbraw/zinc/94/01/91/920940191.db2.gz IETNSGNHHMKJEK-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H](O)C(C)C)C1 ZINC001376465403 920940860 /nfs/dbraw/zinc/94/08/60/920940860.db2.gz VGPBZDLFZORGPK-GUTXKFCHSA-N 1 1 318.414 -1.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001376465983 920941679 /nfs/dbraw/zinc/94/16/79/920941679.db2.gz XLUSEPCJTUIJGZ-FZMZJTMJSA-N 1 1 312.370 -1.026 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1cc2n(n1)CCO2 ZINC001376469655 920945287 /nfs/dbraw/zinc/94/52/87/920945287.db2.gz YSLBURHXEAQEDI-AWEZNQCLSA-N 1 1 310.354 -1.176 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001376491585 920954520 /nfs/dbraw/zinc/95/45/20/920954520.db2.gz PWNUNYZNOBVIRN-OAHLLOKOSA-N 1 1 313.398 -1.066 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001376499690 920956742 /nfs/dbraw/zinc/95/67/42/920956742.db2.gz NKANMDCAORYEMI-HNNXBMFYSA-N 1 1 313.398 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnn(C)c2)C1 ZINC001376497097 920957189 /nfs/dbraw/zinc/95/71/89/920957189.db2.gz IFWKZGXCNDKRCB-WCQYABFASA-N 1 1 323.397 -1.031 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001376499028 920958320 /nfs/dbraw/zinc/95/83/20/920958320.db2.gz CISPMMFKPHPAHN-DTORHVGOSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCCC(N)=O)C1 ZINC001376506936 920960398 /nfs/dbraw/zinc/96/03/98/920960398.db2.gz FHZOECVOOGXXRC-FZMZJTMJSA-N 1 1 301.387 -1.034 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001376507676 920960669 /nfs/dbraw/zinc/96/06/69/920960669.db2.gz HCCYIPZLHLFOER-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001376507676 920960687 /nfs/dbraw/zinc/96/06/87/920960687.db2.gz HCCYIPZLHLFOER-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001376506770 920961817 /nfs/dbraw/zinc/96/18/17/920961817.db2.gz ZSYAGRZOWHMMTA-CYBMUJFWSA-N 1 1 302.375 -1.630 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376519590 920962808 /nfs/dbraw/zinc/96/28/08/920962808.db2.gz XBUCPMXACMVLEO-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@H+]1C[C@@H]2CCCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001376530004 920966805 /nfs/dbraw/zinc/96/68/05/920966805.db2.gz JQCXSXRCSATFIL-WDEREUQCSA-N 1 1 304.416 -1.017 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376530742 920966992 /nfs/dbraw/zinc/96/69/92/920966992.db2.gz JAKHBOBFISJHMK-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376549470 920978574 /nfs/dbraw/zinc/97/85/74/920978574.db2.gz MBRNKVBVWPUBBI-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001376549580 920979020 /nfs/dbraw/zinc/97/90/20/920979020.db2.gz NAELPGAQYRGNBC-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549580 920979033 /nfs/dbraw/zinc/97/90/33/920979033.db2.gz NAELPGAQYRGNBC-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549580 920979053 /nfs/dbraw/zinc/97/90/53/920979053.db2.gz NAELPGAQYRGNBC-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001376551906 920979564 /nfs/dbraw/zinc/97/95/64/920979564.db2.gz SQSDXBZGIHKMDJ-DGCLKSJQSA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001376564964 920981923 /nfs/dbraw/zinc/98/19/23/920981923.db2.gz UECOMMHPRKLBMZ-WPRPVWTQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001376564964 920981935 /nfs/dbraw/zinc/98/19/35/920981935.db2.gz UECOMMHPRKLBMZ-WPRPVWTQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2=CCOCC2)C1 ZINC001376592755 920987173 /nfs/dbraw/zinc/98/71/73/920987173.db2.gz UVEQLTOSKRZFDM-OLZOCXBDSA-N 1 1 311.382 -1.122 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001376598597 920989137 /nfs/dbraw/zinc/98/91/37/920989137.db2.gz PTWSIMWMYZPZCA-LLVKDONJSA-N 1 1 324.385 -1.494 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376606721 920990248 /nfs/dbraw/zinc/99/02/48/920990248.db2.gz KFJNJAAHPCFWTA-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001376606721 920990262 /nfs/dbraw/zinc/99/02/62/920990262.db2.gz KFJNJAAHPCFWTA-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001376621066 920992585 /nfs/dbraw/zinc/99/25/85/920992585.db2.gz HEVKPZZRWDKYNL-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001376622669 920992734 /nfs/dbraw/zinc/99/27/34/920992734.db2.gz DHIDYNKUTZOETC-RKDXNWHRSA-N 1 1 311.346 -2.631 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376622476 920994023 /nfs/dbraw/zinc/99/40/23/920994023.db2.gz CIRQRFMJWHHLQD-GXSJLCMTSA-N 1 1 323.353 -1.659 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001376623256 920995130 /nfs/dbraw/zinc/99/51/30/920995130.db2.gz ULHOOHJPPDWNAJ-NEPJUHHUSA-N 1 1 316.402 -1.249 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001376623258 920996274 /nfs/dbraw/zinc/99/62/74/920996274.db2.gz ULHOOHJPPDWNAJ-RYUDHWBXSA-N 1 1 316.402 -1.249 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001376639123 920998212 /nfs/dbraw/zinc/99/82/12/920998212.db2.gz UURAISPPYGJPRN-SSKLVLDBSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376634370 920998645 /nfs/dbraw/zinc/99/86/45/920998645.db2.gz XTHWINTXFNTLMQ-QWRGUYRKSA-N 1 1 324.385 -1.716 20 0 DAADMO C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001376635450 920999162 /nfs/dbraw/zinc/99/91/62/920999162.db2.gz ZZDOAUKUKJOLSO-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638529 920999565 /nfs/dbraw/zinc/99/95/65/920999565.db2.gz AKNUMIFNMNFVNK-KUNJHIDRSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638529 920999587 /nfs/dbraw/zinc/99/95/87/920999587.db2.gz AKNUMIFNMNFVNK-KUNJHIDRSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376634372 920999700 /nfs/dbraw/zinc/99/97/00/920999700.db2.gz XTHWINTXFNTLMQ-WDEREUQCSA-N 1 1 324.385 -1.716 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001376640832 921001748 /nfs/dbraw/zinc/00/17/48/921001748.db2.gz GBTPISJHNZYFRS-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO COC[C@@H](O)CN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376648403 921004245 /nfs/dbraw/zinc/00/42/45/921004245.db2.gz RCXULHUDQNGFDY-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001376648230 921004325 /nfs/dbraw/zinc/00/43/25/921004325.db2.gz AWXNWDUVMLINRV-XXFSISAASA-N 1 1 305.400 -1.649 20 0 DAADMO COC[C@@H](O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376648404 921004432 /nfs/dbraw/zinc/00/44/32/921004432.db2.gz RCXULHUDQNGFDY-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)CN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376648405 921006629 /nfs/dbraw/zinc/00/66/29/921006629.db2.gz RCXULHUDQNGFDY-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001376657608 921008010 /nfs/dbraw/zinc/00/80/10/921008010.db2.gz RLNKUZJSENPHHI-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001376657608 921008023 /nfs/dbraw/zinc/00/80/23/921008023.db2.gz RLNKUZJSENPHHI-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376674345 921014192 /nfs/dbraw/zinc/01/41/92/921014192.db2.gz XZQSPEGXYJYMPU-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376674343 921015718 /nfs/dbraw/zinc/01/57/18/921015718.db2.gz XZQSPEGXYJYMPU-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376674346 921015921 /nfs/dbraw/zinc/01/59/21/921015921.db2.gz XZQSPEGXYJYMPU-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001376731711 921019919 /nfs/dbraw/zinc/01/99/19/921019919.db2.gz XHHRYCYPXPCSFQ-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001376734492 921020672 /nfs/dbraw/zinc/02/06/72/921020672.db2.gz JWSIWXMHAOSKAU-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001376734494 921021099 /nfs/dbraw/zinc/02/10/99/921021099.db2.gz JWSIWXMHAOSKAU-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001376727545 921021630 /nfs/dbraw/zinc/02/16/30/921021630.db2.gz UKNHLSLSWARQAH-GHMZBOCLSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001376727545 921021641 /nfs/dbraw/zinc/02/16/41/921021641.db2.gz UKNHLSLSWARQAH-GHMZBOCLSA-N 1 1 313.354 -1.174 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001376760368 921026730 /nfs/dbraw/zinc/02/67/30/921026730.db2.gz POESSAPCLXHSRA-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001376778246 921031824 /nfs/dbraw/zinc/03/18/24/921031824.db2.gz ARGLSKRWTTYRCW-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001376814184 921033521 /nfs/dbraw/zinc/03/35/21/921033521.db2.gz UMHZWNSIBWDGKR-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)Cc1cncnc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376825710 921033859 /nfs/dbraw/zinc/03/38/59/921033859.db2.gz BWZRHSSUGBVOAA-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](CNC(=O)Cc1cncnc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376825710 921033866 /nfs/dbraw/zinc/03/38/66/921033866.db2.gz BWZRHSSUGBVOAA-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001376814187 921034308 /nfs/dbraw/zinc/03/43/08/921034308.db2.gz UMHZWNSIBWDGKR-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1nnnn1C ZINC001376833251 921036850 /nfs/dbraw/zinc/03/68/50/921036850.db2.gz YNABXHYAPUPQNC-SNVBAGLBSA-N 1 1 320.357 -1.549 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376826804 921037523 /nfs/dbraw/zinc/03/75/23/921037523.db2.gz GECIYGZHCJTWQS-KOLCDFICSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376826804 921037534 /nfs/dbraw/zinc/03/75/34/921037534.db2.gz GECIYGZHCJTWQS-KOLCDFICSA-N 1 1 323.353 -1.665 20 0 DAADMO CCO[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001376845474 921039883 /nfs/dbraw/zinc/03/98/83/921039883.db2.gz XNZJCPFUXSEKER-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376843305 921042384 /nfs/dbraw/zinc/04/23/84/921042384.db2.gz MHKSQFJHHDQUBL-JQWIXIFHSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376843305 921042399 /nfs/dbraw/zinc/04/23/99/921042399.db2.gz MHKSQFJHHDQUBL-JQWIXIFHSA-N 1 1 324.385 -1.311 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001376842430 921042437 /nfs/dbraw/zinc/04/24/37/921042437.db2.gz TXXKMXPWIGTTOL-JQWIXIFHSA-N 1 1 324.385 -1.343 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376848196 921042700 /nfs/dbraw/zinc/04/27/00/921042700.db2.gz VIWUTPDQOKGQQT-LBPRGKRZSA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376848196 921042721 /nfs/dbraw/zinc/04/27/21/921042721.db2.gz VIWUTPDQOKGQQT-LBPRGKRZSA-N 1 1 324.385 -1.358 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001376852862 921043802 /nfs/dbraw/zinc/04/38/02/921043802.db2.gz WDYRGVSKAUEZFR-NSHDSACASA-N 1 1 322.369 -1.277 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001377403381 921812017 /nfs/dbraw/zinc/81/20/17/921812017.db2.gz MPMSTJOSFAQERM-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001377403381 921812022 /nfs/dbraw/zinc/81/20/22/921812022.db2.gz MPMSTJOSFAQERM-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001377396419 921812861 /nfs/dbraw/zinc/81/28/61/921812861.db2.gz GHCMOOLYCUNFNO-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001377396419 921812870 /nfs/dbraw/zinc/81/28/70/921812870.db2.gz GHCMOOLYCUNFNO-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001377398018 921812966 /nfs/dbraw/zinc/81/29/66/921812966.db2.gz KXRFPLZKWJJTKP-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001377398018 921812973 /nfs/dbraw/zinc/81/29/73/921812973.db2.gz KXRFPLZKWJJTKP-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001377395284 921813003 /nfs/dbraw/zinc/81/30/03/921813003.db2.gz BLHWJHNFIARGSZ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001377395284 921813012 /nfs/dbraw/zinc/81/30/12/921813012.db2.gz BLHWJHNFIARGSZ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001377387957 921813452 /nfs/dbraw/zinc/81/34/52/921813452.db2.gz IMMKHRCEBREHBA-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001377396421 921813705 /nfs/dbraw/zinc/81/37/05/921813705.db2.gz GHCMOOLYCUNFNO-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001377396421 921813713 /nfs/dbraw/zinc/81/37/13/921813713.db2.gz GHCMOOLYCUNFNO-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377420361 921816206 /nfs/dbraw/zinc/81/62/06/921816206.db2.gz GJCRTZVLVZXCPF-KOLCDFICSA-N 1 1 324.385 -1.429 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427636 921816777 /nfs/dbraw/zinc/81/67/77/921816777.db2.gz NUGYNHVPFYSQCP-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427636 921816800 /nfs/dbraw/zinc/81/68/00/921816800.db2.gz NUGYNHVPFYSQCP-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416896 921817116 /nfs/dbraw/zinc/81/71/16/921817116.db2.gz PAAHLDXPPRQFIL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416896 921817126 /nfs/dbraw/zinc/81/71/26/921817126.db2.gz PAAHLDXPPRQFIL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427645 921817265 /nfs/dbraw/zinc/81/72/65/921817265.db2.gz NUGYNHVPFYSQCP-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001377427645 921817279 /nfs/dbraw/zinc/81/72/79/921817279.db2.gz NUGYNHVPFYSQCP-VHSXEESVSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001377413247 921817662 /nfs/dbraw/zinc/81/76/62/921817662.db2.gz SBTQKIODCGPOCO-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001377413247 921817676 /nfs/dbraw/zinc/81/76/76/921817676.db2.gz SBTQKIODCGPOCO-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416893 921818007 /nfs/dbraw/zinc/81/80/07/921818007.db2.gz PAAHLDXPPRQFIL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416893 921818017 /nfs/dbraw/zinc/81/80/17/921818017.db2.gz PAAHLDXPPRQFIL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001377438341 921819420 /nfs/dbraw/zinc/81/94/20/921819420.db2.gz QLWIVXJTZOSUOI-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001377439060 921820458 /nfs/dbraw/zinc/82/04/58/921820458.db2.gz LDZPLMOEOVKXLA-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001377448762 921821313 /nfs/dbraw/zinc/82/13/13/921821313.db2.gz NTOQRXNIMWPWLR-ZYHUDNBSSA-N 1 1 314.386 -1.942 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001377439052 921821627 /nfs/dbraw/zinc/82/16/27/921821627.db2.gz LDZPLMOEOVKXLA-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001377447920 921821901 /nfs/dbraw/zinc/82/19/01/921821901.db2.gz QQEYKRRDJIEUCN-MNOVXSKESA-N 1 1 324.385 -1.716 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001377445220 921821941 /nfs/dbraw/zinc/82/19/41/921821941.db2.gz LDDOUEVUEONYDA-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001377464760 921823158 /nfs/dbraw/zinc/82/31/58/921823158.db2.gz QUKGIIQKHOLJJI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001377464760 921823172 /nfs/dbraw/zinc/82/31/72/921823172.db2.gz QUKGIIQKHOLJJI-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001377461231 921823465 /nfs/dbraw/zinc/82/34/65/921823465.db2.gz NOKLHTGXZNWTQN-SNVBAGLBSA-N 1 1 310.358 -2.186 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001377465071 921823854 /nfs/dbraw/zinc/82/38/54/921823854.db2.gz SDKLOAUUJYGRLE-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001377465071 921823861 /nfs/dbraw/zinc/82/38/61/921823861.db2.gz SDKLOAUUJYGRLE-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)CCn3cnnn3)C2)C1=O ZINC001377459409 921824809 /nfs/dbraw/zinc/82/48/09/921824809.db2.gz HQYDYCUIZWZPNA-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001377486817 921826675 /nfs/dbraw/zinc/82/66/75/921826675.db2.gz MHKOBWRJVIMGBR-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001377486817 921826689 /nfs/dbraw/zinc/82/66/89/921826689.db2.gz MHKOBWRJVIMGBR-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001377480183 921826884 /nfs/dbraw/zinc/82/68/84/921826884.db2.gz SLWWITSOAKIKHX-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001377478761 921827044 /nfs/dbraw/zinc/82/70/44/921827044.db2.gz QISGFSLDXAIAGC-MNOVXSKESA-N 1 1 302.375 -1.510 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H](C)C(=O)N(C)C ZINC001377477640 921827318 /nfs/dbraw/zinc/82/73/18/921827318.db2.gz RQVRCAHFZOGHGY-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N1CCC1 ZINC001377488939 921828503 /nfs/dbraw/zinc/82/85/03/921828503.db2.gz DGKYVQQIKUZWRO-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)N1CCC1 ZINC001377488939 921828509 /nfs/dbraw/zinc/82/85/09/921828509.db2.gz DGKYVQQIKUZWRO-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001377518827 921830796 /nfs/dbraw/zinc/83/07/96/921830796.db2.gz QWHYNVNYPHXREO-QWHCGFSZSA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001377529645 921831502 /nfs/dbraw/zinc/83/15/02/921831502.db2.gz WGNRCLASSPUWEA-GHMZBOCLSA-N 1 1 301.343 -1.317 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377544783 921833479 /nfs/dbraw/zinc/83/34/79/921833479.db2.gz KMHYSXFGIHMBLF-UHFFFAOYSA-N 1 1 324.345 -2.140 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001377544783 921833486 /nfs/dbraw/zinc/83/34/86/921833486.db2.gz KMHYSXFGIHMBLF-UHFFFAOYSA-N 1 1 324.345 -2.140 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCCNC2=O)n1 ZINC001377543674 921833594 /nfs/dbraw/zinc/83/35/94/921833594.db2.gz GOAFUCMYRPHNBQ-JTQLQIEISA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCCNC2=O)n1 ZINC001377543674 921833611 /nfs/dbraw/zinc/83/36/11/921833611.db2.gz GOAFUCMYRPHNBQ-JTQLQIEISA-N 1 1 307.358 -1.317 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(NC(N)=O)CC1 ZINC001377551768 921833827 /nfs/dbraw/zinc/83/38/27/921833827.db2.gz QIHMWMJSENOBNC-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC(=O)N(C)CC(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001377548978 921834229 /nfs/dbraw/zinc/83/42/29/921834229.db2.gz JQUXCYUZUIQNDR-JTQLQIEISA-N 1 1 314.386 -1.718 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545883 921834293 /nfs/dbraw/zinc/83/42/93/921834293.db2.gz POZRKKVQHSYXIT-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545883 921834304 /nfs/dbraw/zinc/83/43/04/921834304.db2.gz POZRKKVQHSYXIT-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)CCn1cnnn1)C1CC1 ZINC001377555305 921834531 /nfs/dbraw/zinc/83/45/31/921834531.db2.gz BWWGKGUUPUVVSN-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)CCn1cnnn1)C1CC1 ZINC001377555305 921834543 /nfs/dbraw/zinc/83/45/43/921834543.db2.gz BWWGKGUUPUVVSN-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC001377546638 921834937 /nfs/dbraw/zinc/83/49/37/921834937.db2.gz KMIDMZLIONWKQC-UHFFFAOYSA-N 1 1 324.381 -1.075 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001377550753 921836236 /nfs/dbraw/zinc/83/62/36/921836236.db2.gz SIAQXPPHODDGPM-LLVKDONJSA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001377571397 921839200 /nfs/dbraw/zinc/83/92/00/921839200.db2.gz TZIHTGAUWALEIA-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001377571397 921839212 /nfs/dbraw/zinc/83/92/12/921839212.db2.gz TZIHTGAUWALEIA-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CNC(=O)C3CC3)C2)n1 ZINC001377678139 921847726 /nfs/dbraw/zinc/84/77/26/921847726.db2.gz OAXZUUBFYDCSBH-UHFFFAOYSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377680169 921849017 /nfs/dbraw/zinc/84/90/17/921849017.db2.gz SUZUKYMKQQJJAK-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377680169 921849028 /nfs/dbraw/zinc/84/90/28/921849028.db2.gz SUZUKYMKQQJJAK-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001377639663 921849059 /nfs/dbraw/zinc/84/90/59/921849059.db2.gz ZFVQZRQRXVXHGN-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001377639663 921849070 /nfs/dbraw/zinc/84/90/70/921849070.db2.gz ZFVQZRQRXVXHGN-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001377649279 921850313 /nfs/dbraw/zinc/85/03/13/921850313.db2.gz ADUZMGIULOZOIR-QWRGUYRKSA-N 1 1 312.374 -1.246 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001377707381 921851494 /nfs/dbraw/zinc/85/14/94/921851494.db2.gz UWVWKPYAALNKRU-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001377707383 921851593 /nfs/dbraw/zinc/85/15/93/921851593.db2.gz UWVWKPYAALNKRU-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001377706558 921851848 /nfs/dbraw/zinc/85/18/48/921851848.db2.gz NLWKXCROBACJEO-NSHDSACASA-N 1 1 307.416 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377702171 921852161 /nfs/dbraw/zinc/85/21/61/921852161.db2.gz VXOGYYSZNFJCFZ-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001377703423 921852739 /nfs/dbraw/zinc/85/27/39/921852739.db2.gz JVOMAAHNRCZCLE-LLVKDONJSA-N 1 1 321.385 -1.116 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)n1C ZINC001377735428 921855482 /nfs/dbraw/zinc/85/54/82/921855482.db2.gz YBIZMSVYIPRKEV-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cncn2)C1 ZINC001377721687 921856148 /nfs/dbraw/zinc/85/61/48/921856148.db2.gz PIDPTULBQHAUNF-JTQLQIEISA-N 1 1 323.357 -1.699 20 0 DAADMO O=C(NCC[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001377724996 921856500 /nfs/dbraw/zinc/85/65/00/921856500.db2.gz KZCAOPMCRMMMJK-NWDGAFQWSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1cncn1)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377722932 921856892 /nfs/dbraw/zinc/85/68/92/921856892.db2.gz SXLDUMJVISXVPV-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001377744801 921859537 /nfs/dbraw/zinc/85/95/37/921859537.db2.gz NHDVFGBIIWTOPG-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001377749629 921859573 /nfs/dbraw/zinc/85/95/73/921859573.db2.gz KBJOPSBYUIXEJU-SECBINFHSA-N 1 1 323.357 -1.596 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001377741121 921860467 /nfs/dbraw/zinc/86/04/67/921860467.db2.gz RJYCIBWTYMMXJB-VIFPVBQESA-N 1 1 324.345 -2.352 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)c1=O ZINC001377756652 921860707 /nfs/dbraw/zinc/86/07/07/921860707.db2.gz NMKOHIKLHIJRGU-GFCCVEGCSA-N 1 1 324.381 -1.680 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001377762309 921860732 /nfs/dbraw/zinc/86/07/32/921860732.db2.gz NJICANSUIUJUEZ-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001377745243 921860847 /nfs/dbraw/zinc/86/08/47/921860847.db2.gz BJDVENIANZISLR-CHWSQXEVSA-N 1 1 312.414 -1.027 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001377790633 921862339 /nfs/dbraw/zinc/86/23/39/921862339.db2.gz XRQSPJLXUYVIFE-JTQLQIEISA-N 1 1 309.370 -1.397 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)n(C)c1=O ZINC001377790640 921862835 /nfs/dbraw/zinc/86/28/35/921862835.db2.gz XRQSPJLXUYVIFE-SNVBAGLBSA-N 1 1 309.370 -1.397 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001377838890 921866017 /nfs/dbraw/zinc/86/60/17/921866017.db2.gz XHRCFZGJPWLRDH-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001377838890 921866027 /nfs/dbraw/zinc/86/60/27/921866027.db2.gz XHRCFZGJPWLRDH-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001377816109 921866800 /nfs/dbraw/zinc/86/68/00/921866800.db2.gz IGSLMVUZLJIMDT-IUCAKERBSA-N 1 1 319.387 -1.289 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001377834752 921867662 /nfs/dbraw/zinc/86/76/62/921867662.db2.gz XFZQAAGKUZSTSK-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(NCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001377842620 921868260 /nfs/dbraw/zinc/86/82/60/921868260.db2.gz JBJXSCGWOGZJRX-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001377842620 921868273 /nfs/dbraw/zinc/86/82/73/921868273.db2.gz JBJXSCGWOGZJRX-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001377940151 921884405 /nfs/dbraw/zinc/88/44/05/921884405.db2.gz XVZYEYVCRNZLDN-AWEZNQCLSA-N 1 1 309.370 -1.532 20 0 DAADMO CC(C)C[NH+]1CC(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001377935348 921885181 /nfs/dbraw/zinc/88/51/81/921885181.db2.gz ZDRWGFIVNNEHMD-SNVBAGLBSA-N 1 1 309.374 -1.366 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001377973773 921889615 /nfs/dbraw/zinc/88/96/15/921889615.db2.gz SXBIYPPUANPCKQ-SNVBAGLBSA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)NCCC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001377970621 921889638 /nfs/dbraw/zinc/88/96/38/921889638.db2.gz PPCHWQIISIHNCB-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCCC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001377972317 921889856 /nfs/dbraw/zinc/88/98/56/921889856.db2.gz TUKOCUSVKCDWFC-JTQLQIEISA-N 1 1 313.402 -1.170 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001377963002 921891509 /nfs/dbraw/zinc/89/15/09/921891509.db2.gz ZCGLRMKUFSVFSJ-GFCCVEGCSA-N 1 1 308.382 -1.209 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001377989112 921893223 /nfs/dbraw/zinc/89/32/23/921893223.db2.gz JAJBEJPSWIPLLG-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001377989112 921893240 /nfs/dbraw/zinc/89/32/40/921893240.db2.gz JAJBEJPSWIPLLG-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377982832 921893712 /nfs/dbraw/zinc/89/37/12/921893712.db2.gz JTPPBICLXGJAHY-SECBINFHSA-N 1 1 310.358 -2.236 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001377988149 921893918 /nfs/dbraw/zinc/89/39/18/921893918.db2.gz ORBOLHVYXCEJEF-NSHDSACASA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H](CC(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1)NC(N)=O ZINC001377976934 921894431 /nfs/dbraw/zinc/89/44/31/921894431.db2.gz ZWWPZWMUTHXBKI-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CC(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1)NC(N)=O ZINC001377976931 921894463 /nfs/dbraw/zinc/89/44/63/921894463.db2.gz ZWWPZWMUTHXBKI-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001377989042 921894529 /nfs/dbraw/zinc/89/45/29/921894529.db2.gz JAJBEJPSWIPLLG-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001377989042 921894540 /nfs/dbraw/zinc/89/45/40/921894540.db2.gz JAJBEJPSWIPLLG-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001378008611 921895982 /nfs/dbraw/zinc/89/59/82/921895982.db2.gz QLBMRIYYJNRSJZ-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378008611 921895996 /nfs/dbraw/zinc/89/59/96/921895996.db2.gz QLBMRIYYJNRSJZ-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001378008617 921897406 /nfs/dbraw/zinc/89/74/06/921897406.db2.gz QLBMRIYYJNRSJZ-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378008617 921897412 /nfs/dbraw/zinc/89/74/12/921897412.db2.gz QLBMRIYYJNRSJZ-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001378008615 921898539 /nfs/dbraw/zinc/89/85/39/921898539.db2.gz QLBMRIYYJNRSJZ-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378008615 921898550 /nfs/dbraw/zinc/89/85/50/921898550.db2.gz QLBMRIYYJNRSJZ-IUCAKERBSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001378050620 921905253 /nfs/dbraw/zinc/90/52/53/921905253.db2.gz DCJFJLWMXNUXRK-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378061464 921907269 /nfs/dbraw/zinc/90/72/69/921907269.db2.gz DCQVXLTYCFPVJS-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001378060601 921910336 /nfs/dbraw/zinc/91/03/36/921910336.db2.gz NCPQWHPXYUPQNW-BDAKNGLRSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)C1 ZINC001378060601 921910345 /nfs/dbraw/zinc/91/03/45/921910345.db2.gz NCPQWHPXYUPQNW-BDAKNGLRSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001378079121 921911389 /nfs/dbraw/zinc/91/13/89/921911389.db2.gz GTTHXVKPTNYJEG-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001378089371 921912844 /nfs/dbraw/zinc/91/28/44/921912844.db2.gz SKYXANCPJDWOKE-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001378089371 921912860 /nfs/dbraw/zinc/91/28/60/921912860.db2.gz SKYXANCPJDWOKE-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@H]1CCCNC1=O ZINC001378084815 921914326 /nfs/dbraw/zinc/91/43/26/921914326.db2.gz LHQLLGAOSLVVMA-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCCF ZINC001378095007 921914498 /nfs/dbraw/zinc/91/44/98/921914498.db2.gz DEWXPSJHSZEBHG-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCCF ZINC001378095007 921914507 /nfs/dbraw/zinc/91/45/07/921914507.db2.gz DEWXPSJHSZEBHG-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001378115669 921915721 /nfs/dbraw/zinc/91/57/21/921915721.db2.gz SOMBHGSTBLSISL-OUAUKWLOSA-N 1 1 300.359 -1.792 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001378100000 921916430 /nfs/dbraw/zinc/91/64/30/921916430.db2.gz NBDIAKHQWBQYRF-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001378100000 921916446 /nfs/dbraw/zinc/91/64/46/921916446.db2.gz NBDIAKHQWBQYRF-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001378109077 921916484 /nfs/dbraw/zinc/91/64/84/921916484.db2.gz KQCXXSYITNBTKG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001378109077 921916496 /nfs/dbraw/zinc/91/64/96/921916496.db2.gz KQCXXSYITNBTKG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001378109766 921916599 /nfs/dbraw/zinc/91/65/99/921916599.db2.gz CBLBBWJKKARTNN-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001378111877 921917753 /nfs/dbraw/zinc/91/77/53/921917753.db2.gz ZTKIQVVBFTYWHU-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001378111877 921917766 /nfs/dbraw/zinc/91/77/66/921917766.db2.gz ZTKIQVVBFTYWHU-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@@]1(CC(=O)N[C@@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001378132278 921919197 /nfs/dbraw/zinc/91/91/97/921919197.db2.gz QNCRQFADPQFJRP-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001378131542 921919521 /nfs/dbraw/zinc/91/95/21/921919521.db2.gz LMQBYMVEULRQRL-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001378130440 921919744 /nfs/dbraw/zinc/91/97/44/921919744.db2.gz MSLMMLYCBZDCQA-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001378130440 921919755 /nfs/dbraw/zinc/91/97/55/921919755.db2.gz MSLMMLYCBZDCQA-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CCO ZINC001378151529 921922499 /nfs/dbraw/zinc/92/24/99/921922499.db2.gz IRUGVZHGJISICW-SNVBAGLBSA-N 1 1 308.342 -1.680 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001378140411 921922639 /nfs/dbraw/zinc/92/26/39/921922639.db2.gz BTWVCSDIXJUCMY-GHMZBOCLSA-N 1 1 314.386 -1.502 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001378140411 921922644 /nfs/dbraw/zinc/92/26/44/921922644.db2.gz BTWVCSDIXJUCMY-GHMZBOCLSA-N 1 1 314.386 -1.502 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001378157140 921923014 /nfs/dbraw/zinc/92/30/14/921923014.db2.gz WOFHUNFMOKHDHP-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001378144736 921923681 /nfs/dbraw/zinc/92/36/81/921923681.db2.gz DVIIOQUESRMZPR-KOLCDFICSA-N 1 1 322.431 -1.518 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001378144736 921923695 /nfs/dbraw/zinc/92/36/95/921923695.db2.gz DVIIOQUESRMZPR-KOLCDFICSA-N 1 1 322.431 -1.518 20 0 DAADMO C[C@H](CNC(=O)C1(n2cnnn2)CCOCC1)[N@@H+](C)CCO ZINC001378142669 921924264 /nfs/dbraw/zinc/92/42/64/921924264.db2.gz AIPUIOYFKYHLMF-LLVKDONJSA-N 1 1 312.374 -1.392 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001378157131 921924444 /nfs/dbraw/zinc/92/44/44/921924444.db2.gz WOFHUNFMOKHDHP-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001378155923 921924490 /nfs/dbraw/zinc/92/44/90/921924490.db2.gz OXMDANWHOWRUAI-UWVGGRQHSA-N 1 1 312.370 -1.485 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@@H+](C)CCCO ZINC001378180620 921925297 /nfs/dbraw/zinc/92/52/97/921925297.db2.gz QONMIHVKUCOVNZ-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378189385 921927362 /nfs/dbraw/zinc/92/73/62/921927362.db2.gz HQJVJKXEEUOYMZ-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378189385 921927373 /nfs/dbraw/zinc/92/73/73/921927373.db2.gz HQJVJKXEEUOYMZ-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203863 921929696 /nfs/dbraw/zinc/92/96/96/921929696.db2.gz RPWKGXXZXLRVKQ-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203863 921929710 /nfs/dbraw/zinc/92/97/10/921929710.db2.gz RPWKGXXZXLRVKQ-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@H+](C)CCNS(C)(=O)=O ZINC001378211868 921929742 /nfs/dbraw/zinc/92/97/42/921929742.db2.gz HUGSVTCSIRVVGG-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378211868 921929749 /nfs/dbraw/zinc/92/97/49/921929749.db2.gz HUGSVTCSIRVVGG-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001378214199 921929977 /nfs/dbraw/zinc/92/99/77/921929977.db2.gz OFHUWVUIBKULGO-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001378214199 921929999 /nfs/dbraw/zinc/92/99/99/921929999.db2.gz OFHUWVUIBKULGO-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)CC(=O)N(C)C ZINC001378192889 921930493 /nfs/dbraw/zinc/93/04/93/921930493.db2.gz BGUIDHVKYNSYRA-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)CC(=O)N(C)C ZINC001378192889 921930504 /nfs/dbraw/zinc/93/05/04/921930504.db2.gz BGUIDHVKYNSYRA-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO CCN(C(=O)CN1CCCS1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001378194069 921930853 /nfs/dbraw/zinc/93/08/53/921930853.db2.gz AQDYJQRWSLBJQZ-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)[C@H]1CCNC1=O ZINC001378209346 921930951 /nfs/dbraw/zinc/93/09/51/921930951.db2.gz YTWYTNNTVDYDJW-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378211600 921931306 /nfs/dbraw/zinc/93/13/06/921931306.db2.gz SCEJZCXHBQBQIN-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378211600 921931327 /nfs/dbraw/zinc/93/13/27/921931327.db2.gz SCEJZCXHBQBQIN-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001378213741 921931624 /nfs/dbraw/zinc/93/16/24/921931624.db2.gz ZGBDXCSQQBALME-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)CC(=O)N(C)C ZINC001378192894 921932202 /nfs/dbraw/zinc/93/22/02/921932202.db2.gz BGUIDHVKYNSYRA-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)CC(=O)N(C)C ZINC001378192894 921932212 /nfs/dbraw/zinc/93/22/12/921932212.db2.gz BGUIDHVKYNSYRA-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@H+](C)CCNS(C)(=O)=O ZINC001378211867 921932289 /nfs/dbraw/zinc/93/22/89/921932289.db2.gz HUGSVTCSIRVVGG-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378211867 921932299 /nfs/dbraw/zinc/93/22/99/921932299.db2.gz HUGSVTCSIRVVGG-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228620 921933794 /nfs/dbraw/zinc/93/37/94/921933794.db2.gz FZIWUQMVRZRVBS-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001378229390 921934245 /nfs/dbraw/zinc/93/42/45/921934245.db2.gz WDFFZFBAKDDYGI-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001378229390 921934256 /nfs/dbraw/zinc/93/42/56/921934256.db2.gz WDFFZFBAKDDYGI-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001378229392 921934619 /nfs/dbraw/zinc/93/46/19/921934619.db2.gz WDFFZFBAKDDYGI-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ccnc1 ZINC001378229392 921934637 /nfs/dbraw/zinc/93/46/37/921934637.db2.gz WDFFZFBAKDDYGI-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244455 921935652 /nfs/dbraw/zinc/93/56/52/921935652.db2.gz YKGHULOUAGAMQT-ZJUUUORDSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244455 921935663 /nfs/dbraw/zinc/93/56/63/921935663.db2.gz YKGHULOUAGAMQT-ZJUUUORDSA-N 1 1 311.386 -1.092 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001378223222 921935715 /nfs/dbraw/zinc/93/57/15/921935715.db2.gz SCBJCUNPFHOYBN-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001378223222 921935726 /nfs/dbraw/zinc/93/57/26/921935726.db2.gz SCBJCUNPFHOYBN-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378286579 921944450 /nfs/dbraw/zinc/94/44/50/921944450.db2.gz JAMVGJIBPOIURO-ZJUUUORDSA-N 1 1 324.389 -1.251 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001378287279 921944754 /nfs/dbraw/zinc/94/47/54/921944754.db2.gz QZCFVDPVZHHBAW-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001378293746 921946354 /nfs/dbraw/zinc/94/63/54/921946354.db2.gz LFFGERUSHVIEIL-GFCCVEGCSA-N 1 1 312.414 -1.101 20 0 DAADMO CN1CC[C@H](N2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001378313340 921949795 /nfs/dbraw/zinc/94/97/95/921949795.db2.gz BZDBSWMHLGJPOQ-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001378319585 921951520 /nfs/dbraw/zinc/95/15/20/921951520.db2.gz RNYLNBFKSSJGJC-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001378332418 921954054 /nfs/dbraw/zinc/95/40/54/921954054.db2.gz SEDGPMQFJMXJEG-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1nn(CC(=O)NC2(CCO)C[NH+](C(C)C)C2)c(=O)n1C ZINC001378353589 921955957 /nfs/dbraw/zinc/95/59/57/921955957.db2.gz PCJARXWMWCRPBJ-UHFFFAOYSA-N 1 1 311.386 -1.148 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCCCC[N@H+]1CCO ZINC001378481829 921965788 /nfs/dbraw/zinc/96/57/88/921965788.db2.gz YAPWRFAAVNVOPU-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378491535 921968064 /nfs/dbraw/zinc/96/80/64/921968064.db2.gz BYBMKRZZUWRQGZ-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001378498392 921969819 /nfs/dbraw/zinc/96/98/19/921969819.db2.gz GDCYOFSJVFSWIG-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378555001 921974503 /nfs/dbraw/zinc/97/45/03/921974503.db2.gz KVSZXTOKMAJAGG-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001378564942 921978069 /nfs/dbraw/zinc/97/80/69/921978069.db2.gz XDPXPPHZTCDUGJ-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001378612516 921982189 /nfs/dbraw/zinc/98/21/89/921982189.db2.gz VIQZVTJFBOIDFM-QWRGUYRKSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001378612516 921982193 /nfs/dbraw/zinc/98/21/93/921982193.db2.gz VIQZVTJFBOIDFM-QWRGUYRKSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378586601 921982493 /nfs/dbraw/zinc/98/24/93/921982493.db2.gz BWVPHDGLPVJUHL-YGRLFVJLSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001378612515 921982715 /nfs/dbraw/zinc/98/27/15/921982715.db2.gz VIQZVTJFBOIDFM-MNOVXSKESA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001378612515 921982729 /nfs/dbraw/zinc/98/27/29/921982729.db2.gz VIQZVTJFBOIDFM-MNOVXSKESA-N 1 1 324.385 -1.087 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001378652689 921986850 /nfs/dbraw/zinc/98/68/50/921986850.db2.gz MOQLLBMPGDBSMB-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001378652689 921986869 /nfs/dbraw/zinc/98/68/69/921986869.db2.gz MOQLLBMPGDBSMB-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001378652687 921987223 /nfs/dbraw/zinc/98/72/23/921987223.db2.gz MOQLLBMPGDBSMB-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001378652687 921987232 /nfs/dbraw/zinc/98/72/32/921987232.db2.gz MOQLLBMPGDBSMB-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001378657335 921988807 /nfs/dbraw/zinc/98/88/07/921988807.db2.gz MZTIMSZVHCZVST-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001378648931 921988952 /nfs/dbraw/zinc/98/89/52/921988952.db2.gz FEQRFTHURKQWAZ-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001378669065 921991605 /nfs/dbraw/zinc/99/16/05/921991605.db2.gz IHJQIUQNDFGEGP-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001378669065 921991621 /nfs/dbraw/zinc/99/16/21/921991621.db2.gz IHJQIUQNDFGEGP-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[N@@H+](CCCO)CC1(C)C ZINC001378684030 921994278 /nfs/dbraw/zinc/99/42/78/921994278.db2.gz WDHIMXRASZSTHK-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378676526 921994707 /nfs/dbraw/zinc/99/47/07/921994707.db2.gz UETVXTCCDVVOHJ-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001378685961 921995818 /nfs/dbraw/zinc/99/58/18/921995818.db2.gz KNIUSGQAUYSJNA-DBIOUOCHSA-N 1 1 312.370 -1.242 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3=CCOCC3)[C@@H]2C1 ZINC001378688908 921995847 /nfs/dbraw/zinc/99/58/47/921995847.db2.gz BTCBHGUDFGYHIG-CNDDSTCGSA-N 1 1 322.365 -1.178 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001378697440 921996715 /nfs/dbraw/zinc/99/67/15/921996715.db2.gz URHMESMFSJUEPC-CNGWGNFVSA-N 1 1 322.365 -1.488 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001378702463 921998095 /nfs/dbraw/zinc/99/80/95/921998095.db2.gz VGFRGGKZMSQZGV-VIFPVBQESA-N 1 1 307.358 -1.317 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001378707069 921998499 /nfs/dbraw/zinc/99/84/99/921998499.db2.gz UPJREXASFZFSLT-CNDDSTCGSA-N 1 1 322.369 -1.072 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)N(C)C(=O)Cn1cnnn1 ZINC001378727962 921999908 /nfs/dbraw/zinc/99/99/08/921999908.db2.gz CNLVRBNWYUWDJS-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001378718516 922000606 /nfs/dbraw/zinc/00/06/06/922000606.db2.gz SIURUISZVJACKT-SECBINFHSA-N 1 1 322.373 -1.590 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ncnn2C)C1 ZINC001378770283 922005373 /nfs/dbraw/zinc/00/53/73/922005373.db2.gz RCNFDEWDMKWYEP-ZYHUDNBSSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001378782103 922006447 /nfs/dbraw/zinc/00/64/47/922006447.db2.gz DABKOVHMNHFCPT-IUCAKERBSA-N 1 1 318.403 -1.420 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cnnn3)C[C@H]2C1 ZINC001378783007 922007507 /nfs/dbraw/zinc/00/75/07/922007507.db2.gz LLFDNAGGISULSC-SRVKXCTJSA-N 1 1 321.385 -1.235 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001378783012 922008040 /nfs/dbraw/zinc/00/80/40/922008040.db2.gz LLFDNAGGISULSC-TUAOUCFPSA-N 1 1 321.385 -1.235 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001378771111 922008144 /nfs/dbraw/zinc/00/81/44/922008144.db2.gz DKWZHLRUMOMFFX-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001378771111 922008157 /nfs/dbraw/zinc/00/81/57/922008157.db2.gz DKWZHLRUMOMFFX-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001378800920 922011330 /nfs/dbraw/zinc/01/13/30/922011330.db2.gz WRKXJRAIBYWCGL-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccon1 ZINC001378812879 922012098 /nfs/dbraw/zinc/01/20/98/922012098.db2.gz SKONFYYMSKPERH-SECBINFHSA-N 1 1 319.387 -1.335 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001378837535 922014382 /nfs/dbraw/zinc/01/43/82/922014382.db2.gz VIBYIVVWEKHECZ-OUAUKWLOSA-N 1 1 324.385 -1.216 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001378914970 922019741 /nfs/dbraw/zinc/01/97/41/922019741.db2.gz VBJQJZRQWCHIIX-ZJUUUORDSA-N 1 1 324.389 -1.534 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)Cn1cnnn1 ZINC001379010591 922022884 /nfs/dbraw/zinc/02/28/84/922022884.db2.gz IBEUZAUQRNGGKL-UHFFFAOYSA-N 1 1 310.362 -1.912 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001378977134 922023329 /nfs/dbraw/zinc/02/33/29/922023329.db2.gz GKZOTRPYFBDTDH-LLVKDONJSA-N 1 1 309.374 -1.327 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379022385 922025639 /nfs/dbraw/zinc/02/56/39/922025639.db2.gz HJBOGHZFIYNWJF-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)Cc1nnn(C)n1 ZINC001379035144 922026156 /nfs/dbraw/zinc/02/61/56/922026156.db2.gz TUZWXWGCTRNXLO-NSHDSACASA-N 1 1 311.390 -1.569 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1nnn(C)n1 ZINC001379035144 922026161 /nfs/dbraw/zinc/02/61/61/922026161.db2.gz TUZWXWGCTRNXLO-NSHDSACASA-N 1 1 311.390 -1.569 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379022383 922026981 /nfs/dbraw/zinc/02/69/81/922026981.db2.gz HJBOGHZFIYNWJF-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001379036586 922027698 /nfs/dbraw/zinc/02/76/98/922027698.db2.gz GGAINXBITBOFBJ-UHFFFAOYSA-N 1 1 311.346 -1.726 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001379036586 922027709 /nfs/dbraw/zinc/02/77/09/922027709.db2.gz GGAINXBITBOFBJ-UHFFFAOYSA-N 1 1 311.346 -1.726 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379052991 922028417 /nfs/dbraw/zinc/02/84/17/922028417.db2.gz JVLODTGZTTYHJB-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001379077074 922028832 /nfs/dbraw/zinc/02/88/32/922028832.db2.gz AVLPGPMPEYOCBI-SECBINFHSA-N 1 1 315.374 -2.497 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001379077074 922028841 /nfs/dbraw/zinc/02/88/41/922028841.db2.gz AVLPGPMPEYOCBI-SECBINFHSA-N 1 1 315.374 -2.497 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379069339 922029651 /nfs/dbraw/zinc/02/96/51/922029651.db2.gz NLQSPQQSEXUQJP-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379069339 922029668 /nfs/dbraw/zinc/02/96/68/922029668.db2.gz NLQSPQQSEXUQJP-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077650 922030168 /nfs/dbraw/zinc/03/01/68/922030168.db2.gz KUXXLEGNGBLQNV-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077650 922030190 /nfs/dbraw/zinc/03/01/90/922030190.db2.gz KUXXLEGNGBLQNV-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379069336 922031159 /nfs/dbraw/zinc/03/11/59/922031159.db2.gz NLQSPQQSEXUQJP-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379069336 922031178 /nfs/dbraw/zinc/03/11/78/922031178.db2.gz NLQSPQQSEXUQJP-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO Cc1c(CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001379053384 922031385 /nfs/dbraw/zinc/03/13/85/922031385.db2.gz QVZPRPFBCOHFMF-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO Cc1c(CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001379053384 922031401 /nfs/dbraw/zinc/03/14/01/922031401.db2.gz QVZPRPFBCOHFMF-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379092392 922033101 /nfs/dbraw/zinc/03/31/01/922033101.db2.gz JPPMZRWJNGIHHX-NWDGAFQWSA-N 1 1 324.385 -1.299 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001379127638 922036023 /nfs/dbraw/zinc/03/60/23/922036023.db2.gz CNTZIMITZSUKDT-SECBINFHSA-N 1 1 322.369 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001379127638 922036032 /nfs/dbraw/zinc/03/60/32/922036032.db2.gz CNTZIMITZSUKDT-SECBINFHSA-N 1 1 322.369 -1.157 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCOC1 ZINC001379133379 922038392 /nfs/dbraw/zinc/03/83/92/922038392.db2.gz WSWLXWBXSVWNFP-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO COc1cncc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001379111999 922039415 /nfs/dbraw/zinc/03/94/15/922039415.db2.gz XGSZJVPGQQPEEZ-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO COc1cncc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001379111999 922039426 /nfs/dbraw/zinc/03/94/26/922039426.db2.gz XGSZJVPGQQPEEZ-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n(C)n1 ZINC001379161201 922040186 /nfs/dbraw/zinc/04/01/86/922040186.db2.gz ALMHMKIBCOLRSM-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001379151234 922040378 /nfs/dbraw/zinc/04/03/78/922040378.db2.gz AWJMZLGOFAHLIE-JTQLQIEISA-N 1 1 312.374 -1.369 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001379151151 922041004 /nfs/dbraw/zinc/04/10/04/922041004.db2.gz OUZDZFCIXMEFSP-WDEREUQCSA-N 1 1 309.374 -1.279 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nc[nH]n3)CC[C@H]21 ZINC001379145770 922041350 /nfs/dbraw/zinc/04/13/50/922041350.db2.gz CWYCCESNAVKPHW-DTWKUNHWSA-N 1 1 321.341 -1.464 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001379151149 922042558 /nfs/dbraw/zinc/04/25/58/922042558.db2.gz OUZDZFCIXMEFSP-QWRGUYRKSA-N 1 1 309.374 -1.279 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)[nH]n1 ZINC001379160095 922042848 /nfs/dbraw/zinc/04/28/48/922042848.db2.gz AVDFNUDZOJRAMC-LLVKDONJSA-N 1 1 307.358 -1.019 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@H]21 ZINC001379145778 922043009 /nfs/dbraw/zinc/04/30/09/922043009.db2.gz CWYCCESNAVKPHW-RKDXNWHRSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1)c1nncn1C ZINC001379162975 922044379 /nfs/dbraw/zinc/04/43/79/922044379.db2.gz LBKIEVCIUJCNLO-DTWKUNHWSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cccn1)c1nncn1C ZINC001379170858 922048903 /nfs/dbraw/zinc/04/89/03/922048903.db2.gz WSVVALHQKPVLDE-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001379168264 922049433 /nfs/dbraw/zinc/04/94/33/922049433.db2.gz TVTXUGCFHLXSTR-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001379170381 922049873 /nfs/dbraw/zinc/04/98/73/922049873.db2.gz LRGBECOHAYUYHM-WDEREUQCSA-N 1 1 322.373 -1.457 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379174814 922054135 /nfs/dbraw/zinc/05/41/35/922054135.db2.gz YPIDBRPFUJNKRE-SNVBAGLBSA-N 1 1 308.346 -2.247 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1N)c1nncn1C ZINC001379191033 922055257 /nfs/dbraw/zinc/05/52/57/922055257.db2.gz BAPJGBQBTDMHQK-DTWKUNHWSA-N 1 1 322.373 -1.428 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1)c1nnnn1C ZINC001379190402 922055320 /nfs/dbraw/zinc/05/53/20/922055320.db2.gz PRWVVDPIZJIXAM-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001379188690 922056390 /nfs/dbraw/zinc/05/63/90/922056390.db2.gz KPVOITULQVTGKS-CMPLNLGQSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001379188697 922056468 /nfs/dbraw/zinc/05/64/68/922056468.db2.gz KPVOITULQVTGKS-JQWIXIFHSA-N 1 1 324.385 -1.609 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379190754 922057339 /nfs/dbraw/zinc/05/73/39/922057339.db2.gz RIWOSOJMVDJELZ-VHSXEESVSA-N 1 1 312.374 -1.531 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379185063 922057471 /nfs/dbraw/zinc/05/74/71/922057471.db2.gz JRVMAUAFQRJOFV-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1)c1nnnn1C ZINC001379190405 922057866 /nfs/dbraw/zinc/05/78/66/922057866.db2.gz PRWVVDPIZJIXAM-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ncc[nH]1 ZINC001379197019 922059016 /nfs/dbraw/zinc/05/90/16/922059016.db2.gz MGBZLEJJJVPIGA-VIFPVBQESA-N 1 1 311.321 -1.149 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)no1 ZINC001379195002 922060851 /nfs/dbraw/zinc/06/08/51/922060851.db2.gz IWQPNRSCPHQIRB-CYBMUJFWSA-N 1 1 312.370 -1.118 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cc3n(n2)CCO3)[nH]1 ZINC001379202462 922062927 /nfs/dbraw/zinc/06/29/27/922062927.db2.gz BXFWMKNVZZYFJN-SECBINFHSA-N 1 1 321.341 -1.417 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnnn1C)c1nncn1C ZINC001379198592 922064421 /nfs/dbraw/zinc/06/44/21/922064421.db2.gz NXLLVRGYPRSLRH-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001379204438 922066284 /nfs/dbraw/zinc/06/62/84/922066284.db2.gz HWSWAGAEDNYQTG-UWVGGRQHSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379205969 922070496 /nfs/dbraw/zinc/07/04/96/922070496.db2.gz NGQWNKMMHLDENM-ZDUSSCGKSA-N 1 1 321.385 -1.334 20 0 DAADMO Cc1nc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)co1 ZINC001379205655 922070645 /nfs/dbraw/zinc/07/06/45/922070645.db2.gz ZICRFZAXKYNDCD-CBAPKCEASA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)no1 ZINC001379220831 922082482 /nfs/dbraw/zinc/08/24/82/922082482.db2.gz JOTSYVFMDNNDCP-KOLCDFICSA-N 1 1 319.383 -1.017 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379228853 922086330 /nfs/dbraw/zinc/08/63/30/922086330.db2.gz JFLJQLYFFRUQDV-YUMQZZPRSA-N 1 1 324.345 -2.255 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)on1 ZINC001379233596 922090321 /nfs/dbraw/zinc/09/03/21/922090321.db2.gz UGVYTMKUYMCQQC-VHSXEESVSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379240941 922094324 /nfs/dbraw/zinc/09/43/24/922094324.db2.gz LUPXQLDYCSBLDO-QMMMGPOBSA-N 1 1 310.314 -1.302 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccnn1 ZINC001379254796 922101355 /nfs/dbraw/zinc/10/13/55/922101355.db2.gz FNRIHWLUVKPZTJ-JTQLQIEISA-N 1 1 320.357 -1.246 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)COc2cccnc2)n1 ZINC001379259115 922103751 /nfs/dbraw/zinc/10/37/51/922103751.db2.gz KMEVJJOYAZPPLU-LBPRGKRZSA-N 1 1 320.353 -1.144 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)COc2cccnc2)n1 ZINC001379259108 922104611 /nfs/dbraw/zinc/10/46/11/922104611.db2.gz KMEVJJOYAZPPLU-GFCCVEGCSA-N 1 1 320.353 -1.144 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)N1CCOCC1 ZINC001379261731 922105484 /nfs/dbraw/zinc/10/54/84/922105484.db2.gz OFEQTVPGNMSNFB-VIFPVBQESA-N 1 1 312.330 -2.656 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)N1CCOCC1 ZINC001379261731 922105497 /nfs/dbraw/zinc/10/54/97/922105497.db2.gz OFEQTVPGNMSNFB-VIFPVBQESA-N 1 1 312.330 -2.656 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)COc1ccccc1 ZINC001379270883 922108753 /nfs/dbraw/zinc/10/87/53/922108753.db2.gz PFMXZQCVSVWKLX-NSHDSACASA-N 1 1 320.353 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001379264080 922109650 /nfs/dbraw/zinc/10/96/50/922109650.db2.gz URVCBGKQCXKIFZ-GXFFZTMASA-N 1 1 312.374 -1.407 20 0 DAADMO CCc1noc(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379279954 922111276 /nfs/dbraw/zinc/11/12/76/922111276.db2.gz VHBCZNJTMKAXHP-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001379276699 922111818 /nfs/dbraw/zinc/11/18/18/922111818.db2.gz JNUMGNKSDPEXFZ-VIFPVBQESA-N 1 1 308.298 -1.956 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001379290014 922114596 /nfs/dbraw/zinc/11/45/96/922114596.db2.gz OZKABEHHPUXBFO-NSHDSACASA-N 1 1 309.330 -1.602 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001379283818 922114986 /nfs/dbraw/zinc/11/49/86/922114986.db2.gz GBRORUONMLIRBQ-KOLCDFICSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1)c1nnnn1C ZINC001379286803 922115047 /nfs/dbraw/zinc/11/50/47/922115047.db2.gz KTEIRBNCNYFHRD-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001379290041 922116207 /nfs/dbraw/zinc/11/62/07/922116207.db2.gz PDOJITRQCWUYDB-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379293008 922119086 /nfs/dbraw/zinc/11/90/86/922119086.db2.gz OYBIUWOWJUNNCW-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN[C@H](C)c1nnnn1C ZINC001379293874 922119311 /nfs/dbraw/zinc/11/93/11/922119311.db2.gz PONOQUIAZBDMTG-MNOVXSKESA-N 1 1 313.406 -1.322 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN[C@H](C)c1nnnn1C ZINC001379293159 922119507 /nfs/dbraw/zinc/11/95/07/922119507.db2.gz PONOQUIAZBDMTG-GHMZBOCLSA-N 1 1 313.406 -1.322 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379293004 922119639 /nfs/dbraw/zinc/11/96/39/922119639.db2.gz OYBIUWOWJUNNCW-NWDGAFQWSA-N 1 1 324.385 -1.607 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN[C@@H](C)c1nnnn1C ZINC001379293876 922120575 /nfs/dbraw/zinc/12/05/75/922120575.db2.gz PONOQUIAZBDMTG-QWRGUYRKSA-N 1 1 313.406 -1.322 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001379334549 922127381 /nfs/dbraw/zinc/12/73/81/922127381.db2.gz LKBRHUNDFUBIFF-SNVBAGLBSA-N 1 1 324.385 -1.119 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001379352672 922128871 /nfs/dbraw/zinc/12/88/71/922128871.db2.gz FWWSQIDYAWLYJR-JTQLQIEISA-N 1 1 309.330 -1.510 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1cnn(C)c1N ZINC001379347302 922129412 /nfs/dbraw/zinc/12/94/12/922129412.db2.gz DOOGFABOSAXLDN-HTQZYQBOSA-N 1 1 307.362 -1.005 20 0 DAADMO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001379359497 922132176 /nfs/dbraw/zinc/13/21/76/922132176.db2.gz ICEZWSWCDNOKFU-SECBINFHSA-N 1 1 304.372 -1.969 20 0 DAADMO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001379359510 922132583 /nfs/dbraw/zinc/13/25/83/922132583.db2.gz ICEZWSWCDNOKFU-VIFPVBQESA-N 1 1 304.372 -1.969 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379358296 922132685 /nfs/dbraw/zinc/13/26/85/922132685.db2.gz FHKAUHDOTXRHTF-NSHDSACASA-N 1 1 311.342 -1.292 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379364591 922135282 /nfs/dbraw/zinc/13/52/82/922135282.db2.gz DPWCLBQKQCQIOK-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C1=COCCO1 ZINC001379364918 922135328 /nfs/dbraw/zinc/13/53/28/922135328.db2.gz TXNHKDVJUSMPBG-JTQLQIEISA-N 1 1 311.342 -1.247 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379364236 922135464 /nfs/dbraw/zinc/13/54/64/922135464.db2.gz SOEAYFQVJYWQPS-ZWNOBZJWSA-N 1 1 309.370 -1.124 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379364661 922136376 /nfs/dbraw/zinc/13/63/76/922136376.db2.gz DPWCLBQKQCQIOK-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379364590 922136433 /nfs/dbraw/zinc/13/64/33/922136433.db2.gz DPWCLBQKQCQIOK-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CCNS(C)(=O)=O ZINC001379365586 922136508 /nfs/dbraw/zinc/13/65/08/922136508.db2.gz BVYMCLQKPUEKNV-MRVPVSSYSA-N 1 1 305.360 -1.397 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)c1cnccn1 ZINC001379371739 922139236 /nfs/dbraw/zinc/13/92/36/922139236.db2.gz ZDTGNRQLTCKCIG-VHSXEESVSA-N 1 1 316.383 -1.351 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379368205 922140419 /nfs/dbraw/zinc/14/04/19/922140419.db2.gz MGQRHMAYPDVGLD-WDEREUQCSA-N 1 1 309.370 -1.487 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001379373719 922140447 /nfs/dbraw/zinc/14/04/47/922140447.db2.gz PPVMPMIQUMQSSU-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCc1nnnn1C1CC1 ZINC001379371113 922140776 /nfs/dbraw/zinc/14/07/76/922140776.db2.gz LWQPUYVIEFFKTC-CMPLNLGQSA-N 1 1 323.401 -1.331 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379376432 922144298 /nfs/dbraw/zinc/14/42/98/922144298.db2.gz XKMDFYJFSJWRIW-DGCLKSJQSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379376436 922144568 /nfs/dbraw/zinc/14/45/68/922144568.db2.gz XKMDFYJFSJWRIW-YPMHNXCESA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001379389817 922146299 /nfs/dbraw/zinc/14/62/99/922146299.db2.gz MIKSKIBSTKPIGV-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001379381751 922147217 /nfs/dbraw/zinc/14/72/17/922147217.db2.gz REASLFAZYFLQCX-SNVBAGLBSA-N 1 1 323.401 -1.519 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCn1ccnn1 ZINC001379389814 922147680 /nfs/dbraw/zinc/14/76/80/922147680.db2.gz MIKSKIBSTKPIGV-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001379395715 922151142 /nfs/dbraw/zinc/15/11/42/922151142.db2.gz PLNDWKIJDCNBRA-ONGXEEELSA-N 1 1 324.385 -1.547 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1ncnn1)c1cnccn1 ZINC001379393071 922151740 /nfs/dbraw/zinc/15/17/40/922151740.db2.gz CXMFJPDVRNADNN-NXEZZACHSA-N 1 1 306.330 -1.709 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001379398980 922153294 /nfs/dbraw/zinc/15/32/94/922153294.db2.gz LWNQQZUBFMRRJR-NSHDSACASA-N 1 1 317.367 -1.406 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379397055 922153668 /nfs/dbraw/zinc/15/36/68/922153668.db2.gz NDWJXZXLNKLFJM-FRRDWIJNSA-N 1 1 314.430 -1.081 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379397055 922153680 /nfs/dbraw/zinc/15/36/80/922153680.db2.gz NDWJXZXLNKLFJM-FRRDWIJNSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1C ZINC001379407707 922157415 /nfs/dbraw/zinc/15/74/15/922157415.db2.gz NSJHHFLQXLZLAR-WCQYABFASA-N 1 1 323.397 -1.226 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NCC(=O)NC2CC2)CCC1 ZINC001379407714 922158138 /nfs/dbraw/zinc/15/81/38/922158138.db2.gz CZAFHZPFFUHVDQ-GFCCVEGCSA-N 1 1 312.414 -1.184 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001379410963 922161446 /nfs/dbraw/zinc/16/14/46/922161446.db2.gz MDOHYFKYXAQDNJ-YPMHNXCESA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410963 922161456 /nfs/dbraw/zinc/16/14/56/922161456.db2.gz MDOHYFKYXAQDNJ-YPMHNXCESA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O)C1CCC1 ZINC001379410084 922161613 /nfs/dbraw/zinc/16/16/13/922161613.db2.gz KADCQCFNQSCIJG-AAEUAGOBSA-N 1 1 312.414 -1.184 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O)C1CCC1 ZINC001379410084 922161622 /nfs/dbraw/zinc/16/16/22/922161622.db2.gz KADCQCFNQSCIJG-AAEUAGOBSA-N 1 1 312.414 -1.184 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001379412752 922161972 /nfs/dbraw/zinc/16/19/72/922161972.db2.gz PDWBNBQZMSZJOU-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O)C1CCC1 ZINC001379410091 922162424 /nfs/dbraw/zinc/16/24/24/922162424.db2.gz KADCQCFNQSCIJG-YPMHNXCESA-N 1 1 312.414 -1.184 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O)C1CCC1 ZINC001379410091 922162433 /nfs/dbraw/zinc/16/24/33/922162433.db2.gz KADCQCFNQSCIJG-YPMHNXCESA-N 1 1 312.414 -1.184 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001379411050 922162450 /nfs/dbraw/zinc/16/24/50/922162450.db2.gz KKRGQCRDLSPFGK-NSHDSACASA-N 1 1 312.374 -1.776 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379414437 922165532 /nfs/dbraw/zinc/16/55/32/922165532.db2.gz BDLFBRICNFLVEQ-RKDXNWHRSA-N 1 1 310.362 -1.641 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001379424914 922167538 /nfs/dbraw/zinc/16/75/38/922167538.db2.gz XJEWAOLQBMZHJP-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001379436446 922175486 /nfs/dbraw/zinc/17/54/86/922175486.db2.gz QNYXFLOOWDZDFY-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](CO)N[C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001379433626 922175534 /nfs/dbraw/zinc/17/55/34/922175534.db2.gz LCAQJEBGCSBLJM-QWHCGFSZSA-N 1 1 324.425 -1.040 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001379464865 922184022 /nfs/dbraw/zinc/18/40/22/922184022.db2.gz LVDPWMSBLQTTQN-GMTAPVOTSA-N 1 1 312.370 -2.333 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379476334 922190969 /nfs/dbraw/zinc/19/09/69/922190969.db2.gz JLOGMQKUKIPQPX-GHMZBOCLSA-N 1 1 323.353 -1.662 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)=NC1=O ZINC001379472692 922191180 /nfs/dbraw/zinc/19/11/80/922191180.db2.gz YTIAGFPKOYGOKU-SNVBAGLBSA-N 1 1 322.369 -1.218 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379475615 922191760 /nfs/dbraw/zinc/19/17/60/922191760.db2.gz IJSMIIHUKQJFQG-KOLCDFICSA-N 1 1 308.342 -1.967 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001379477992 922196151 /nfs/dbraw/zinc/19/61/51/922196151.db2.gz NJWKBPQUIJARKB-UWVGGRQHSA-N 1 1 324.341 -2.267 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001379479419 922196844 /nfs/dbraw/zinc/19/68/44/922196844.db2.gz CMXWZOSNTHHSLU-SECBINFHSA-N 1 1 307.372 -2.637 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)nn1 ZINC001379496299 922199235 /nfs/dbraw/zinc/19/92/35/922199235.db2.gz JBDUTVJGGBWNBC-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)nn1C ZINC001379495165 922199669 /nfs/dbraw/zinc/19/96/69/922199669.db2.gz DHDFZFPDOFXUSR-YPMHNXCESA-N 1 1 323.397 -1.036 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)c2cnon2)n1 ZINC001379497970 922203577 /nfs/dbraw/zinc/20/35/77/922203577.db2.gz OJIOUFZXDMPSDH-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001379506219 922206130 /nfs/dbraw/zinc/20/61/30/922206130.db2.gz ZCDPDGGHPSKOJW-SNVBAGLBSA-N 1 1 314.386 -1.942 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001379513413 922209656 /nfs/dbraw/zinc/20/96/56/922209656.db2.gz KJXCACQPVUNKEI-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCCNC1=O ZINC001379520086 922212911 /nfs/dbraw/zinc/21/29/11/922212911.db2.gz LIAVRNTUYNUMOK-UWVGGRQHSA-N 1 1 324.389 -1.219 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CCN1CCCC1=O ZINC001379523752 922214292 /nfs/dbraw/zinc/21/42/92/922214292.db2.gz FYAVAEMSZPUIMQ-LBPRGKRZSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)N[C@@H](C)C[NH2+]CC(N)=O)cc1=O ZINC001379519012 922214744 /nfs/dbraw/zinc/21/47/44/922214744.db2.gz BLLFNZGZRWFLAX-JTQLQIEISA-N 1 1 311.386 -1.046 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C ZINC001379524408 922215754 /nfs/dbraw/zinc/21/57/54/922215754.db2.gz GYOBPORFFBQFGH-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(=O)n(C)n2)o1 ZINC001379524756 922217691 /nfs/dbraw/zinc/21/76/91/922217691.db2.gz GZRJSXOGOZVOAJ-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379526718 922218317 /nfs/dbraw/zinc/21/83/17/922218317.db2.gz KNWKIPWQZZJSCW-VXGBXAGGSA-N 1 1 300.403 -1.471 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379526718 922218333 /nfs/dbraw/zinc/21/83/33/922218333.db2.gz KNWKIPWQZZJSCW-VXGBXAGGSA-N 1 1 300.403 -1.471 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C ZINC001379524409 922218767 /nfs/dbraw/zinc/21/87/67/922218767.db2.gz GYOBPORFFBQFGH-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CNC(=O)C1CC1 ZINC001379537101 922225275 /nfs/dbraw/zinc/22/52/75/922225275.db2.gz AAPZBOGQPDWQAI-GXSJLCMTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1ncn[nH]1 ZINC001379559003 922225676 /nfs/dbraw/zinc/22/56/76/922225676.db2.gz IOIVNCZQUFMOBS-DTWKUNHWSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1nc[nH]n1 ZINC001379559003 922225686 /nfs/dbraw/zinc/22/56/86/922225686.db2.gz IOIVNCZQUFMOBS-DTWKUNHWSA-N 1 1 301.372 -1.053 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001379622386 922232310 /nfs/dbraw/zinc/23/23/10/922232310.db2.gz XJGZQBFRFCCQHH-JQWIXIFHSA-N 1 1 320.415 -1.854 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612529 922232880 /nfs/dbraw/zinc/23/28/80/922232880.db2.gz AJUBKYIGJVXMKO-RKDXNWHRSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001379612529 922232890 /nfs/dbraw/zinc/23/28/90/922232890.db2.gz AJUBKYIGJVXMKO-RKDXNWHRSA-N 1 1 314.342 -1.106 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@H]12 ZINC001379632933 922235306 /nfs/dbraw/zinc/23/53/06/922235306.db2.gz QARFVMXXYXMFFM-JRPNMDOOSA-N 1 1 323.397 -1.083 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001379622390 922235856 /nfs/dbraw/zinc/23/58/56/922235856.db2.gz XJGZQBFRFCCQHH-PWSUYJOCSA-N 1 1 320.415 -1.854 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001379646454 922235901 /nfs/dbraw/zinc/23/59/01/922235901.db2.gz MXXSFNSXEBJKMB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001379646454 922235915 /nfs/dbraw/zinc/23/59/15/922235915.db2.gz MXXSFNSXEBJKMB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001379670278 922236817 /nfs/dbraw/zinc/23/68/17/922236817.db2.gz XIARWFMUDLNVMT-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001379670278 922236833 /nfs/dbraw/zinc/23/68/33/922236833.db2.gz XIARWFMUDLNVMT-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)CC1CC1)NC(=O)Cn1ncnn1 ZINC001379663371 922237242 /nfs/dbraw/zinc/23/72/42/922237242.db2.gz CZFNGMGNNSRLPO-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)CC1CC1)NC(=O)Cn1ncnn1 ZINC001379663371 922237261 /nfs/dbraw/zinc/23/72/61/922237261.db2.gz CZFNGMGNNSRLPO-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001379622394 922237568 /nfs/dbraw/zinc/23/75/68/922237568.db2.gz XJGZQBFRFCCQHH-ZYHUDNBSSA-N 1 1 320.415 -1.854 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001379687212 922239047 /nfs/dbraw/zinc/23/90/47/922239047.db2.gz MPBBEXQZFPLMSX-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001379687212 922239065 /nfs/dbraw/zinc/23/90/65/922239065.db2.gz MPBBEXQZFPLMSX-JTQLQIEISA-N 1 1 302.375 -1.726 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001379694002 922239272 /nfs/dbraw/zinc/23/92/72/922239272.db2.gz XVCZDUCTZUETFK-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001379694002 922239292 /nfs/dbraw/zinc/23/92/92/922239292.db2.gz XVCZDUCTZUETFK-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001379690304 922240201 /nfs/dbraw/zinc/24/02/01/922240201.db2.gz ZGYAZJFOVXQXJU-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001379690304 922240214 /nfs/dbraw/zinc/24/02/14/922240214.db2.gz ZGYAZJFOVXQXJU-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001379690306 922241000 /nfs/dbraw/zinc/24/10/00/922241000.db2.gz ZGYAZJFOVXQXJU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001379690306 922241016 /nfs/dbraw/zinc/24/10/16/922241016.db2.gz ZGYAZJFOVXQXJU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001379705397 922241174 /nfs/dbraw/zinc/24/11/74/922241174.db2.gz UFVOSPAMCDFRMX-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001379705397 922241190 /nfs/dbraw/zinc/24/11/90/922241190.db2.gz UFVOSPAMCDFRMX-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCCC1 ZINC001379692930 922241261 /nfs/dbraw/zinc/24/12/61/922241261.db2.gz URQHLCRUPOZCNN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCCC1 ZINC001379692930 922241269 /nfs/dbraw/zinc/24/12/69/922241269.db2.gz URQHLCRUPOZCNN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001379702966 922241313 /nfs/dbraw/zinc/24/13/13/922241313.db2.gz BYLRRJZQEYOLIH-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001379702966 922241321 /nfs/dbraw/zinc/24/13/21/922241321.db2.gz BYLRRJZQEYOLIH-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001379683870 922241515 /nfs/dbraw/zinc/24/15/15/922241515.db2.gz FTDVPWRPSZKNHX-VHSXEESVSA-N 1 1 324.389 -1.357 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001379727350 922241871 /nfs/dbraw/zinc/24/18/71/922241871.db2.gz VHTBMOMWKYRZSN-RKDXNWHRSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001379727350 922241882 /nfs/dbraw/zinc/24/18/82/922241882.db2.gz VHTBMOMWKYRZSN-RKDXNWHRSA-N 1 1 321.403 -2.347 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001379732240 922242810 /nfs/dbraw/zinc/24/28/10/922242810.db2.gz OIYWAHBTLNENRD-VXGBXAGGSA-N 1 1 316.402 -2.138 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379742564 922242853 /nfs/dbraw/zinc/24/28/53/922242853.db2.gz MGKOAVNDSZSMPY-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379742564 922242858 /nfs/dbraw/zinc/24/28/58/922242858.db2.gz MGKOAVNDSZSMPY-LPEHRKFASA-N 1 1 300.359 -1.798 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379740807 922243542 /nfs/dbraw/zinc/24/35/42/922243542.db2.gz JYXCHDYRRVTADG-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379740807 922243547 /nfs/dbraw/zinc/24/35/47/922243547.db2.gz JYXCHDYRRVTADG-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001379727342 922244446 /nfs/dbraw/zinc/24/44/46/922244446.db2.gz VHTBMOMWKYRZSN-DTWKUNHWSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001379727342 922244461 /nfs/dbraw/zinc/24/44/61/922244461.db2.gz VHTBMOMWKYRZSN-DTWKUNHWSA-N 1 1 321.403 -2.347 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379756848 922246599 /nfs/dbraw/zinc/24/65/99/922246599.db2.gz JKMIIESMJIJACA-ZJUUUORDSA-N 1 1 312.374 -1.487 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001379754923 922247577 /nfs/dbraw/zinc/24/75/77/922247577.db2.gz FUOIGOISLVBDBD-ONGXEEELSA-N 1 1 322.373 -1.354 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001379745933 922248288 /nfs/dbraw/zinc/24/82/88/922248288.db2.gz NFKCLYBFLUWKSM-SNVBAGLBSA-N 1 1 309.330 -1.421 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)CS(C)(=O)=O)co1 ZINC001379756624 922249114 /nfs/dbraw/zinc/24/91/14/922249114.db2.gz AFLUJRLHBQVPCO-NSHDSACASA-N 1 1 319.383 -1.063 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001379758800 922250143 /nfs/dbraw/zinc/25/01/43/922250143.db2.gz FELIKBSVWIQXHC-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001379758800 922250159 /nfs/dbraw/zinc/25/01/59/922250159.db2.gz FELIKBSVWIQXHC-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCN1C ZINC001379763483 922250556 /nfs/dbraw/zinc/25/05/56/922250556.db2.gz WFFDHNNTXZXJLY-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760157 922251649 /nfs/dbraw/zinc/25/16/49/922251649.db2.gz PFLQVVIJOKCISG-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)n1 ZINC001379760157 922251675 /nfs/dbraw/zinc/25/16/75/922251675.db2.gz PFLQVVIJOKCISG-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCN1C ZINC001379763487 922252769 /nfs/dbraw/zinc/25/27/69/922252769.db2.gz WFFDHNNTXZXJLY-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379762586 922253004 /nfs/dbraw/zinc/25/30/04/922253004.db2.gz YMZLTCBWSBPVCK-ZJUUUORDSA-N 1 1 312.370 -1.485 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCNC(=O)C2)[nH]1 ZINC001379765724 922253163 /nfs/dbraw/zinc/25/31/63/922253163.db2.gz OFQOWOLARXVTJN-WDEREUQCSA-N 1 1 324.385 -1.452 20 0 DAADMO CN(C[C@@H](O)CNCc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379759566 922253324 /nfs/dbraw/zinc/25/33/24/922253324.db2.gz POKDOMCEMZZXDJ-WDEREUQCSA-N 1 1 311.390 -1.787 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cccnc1 ZINC001379771216 922254232 /nfs/dbraw/zinc/25/42/32/922254232.db2.gz PWRYHKCCXNOYBW-LBPRGKRZSA-N 1 1 319.369 -1.243 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)n1 ZINC001379771041 922256248 /nfs/dbraw/zinc/25/62/48/922256248.db2.gz FZEMPKARXXSBCR-WDEREUQCSA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001379774403 922256511 /nfs/dbraw/zinc/25/65/11/922256511.db2.gz VRQJSBCDRNEBMR-PWSUYJOCSA-N 1 1 322.373 -1.423 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379770148 922257272 /nfs/dbraw/zinc/25/72/72/922257272.db2.gz UKLOYPCIOUYWNV-JTQLQIEISA-N 1 1 314.346 -1.920 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001379775613 922258120 /nfs/dbraw/zinc/25/81/20/922258120.db2.gz PWQOVOKAMBGVNU-VHSXEESVSA-N 1 1 313.358 -1.051 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ncn(C)n2)nn1 ZINC001379784381 922259919 /nfs/dbraw/zinc/25/99/19/922259919.db2.gz YJOLPWJVGDFXPP-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781568 922260771 /nfs/dbraw/zinc/26/07/71/922260771.db2.gz RZIWRLVPHFVCFT-IUCAKERBSA-N 1 1 320.353 -1.486 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781568 922260781 /nfs/dbraw/zinc/26/07/81/922260781.db2.gz RZIWRLVPHFVCFT-IUCAKERBSA-N 1 1 320.353 -1.486 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]12C[C@H]1COC2 ZINC001379794960 922262803 /nfs/dbraw/zinc/26/28/03/922262803.db2.gz UXGWIYSGYZFEOC-SUHUHFCYSA-N 1 1 309.370 -1.240 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cncn1C)c1nnnn1C ZINC001379800402 922266647 /nfs/dbraw/zinc/26/66/47/922266647.db2.gz HFMHXPZARDKFFV-ZJUUUORDSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cnc[nH]c1=O ZINC001379798824 922266708 /nfs/dbraw/zinc/26/67/08/922266708.db2.gz IDYAWFXVXWKGEU-VIFPVBQESA-N 1 1 308.298 -1.212 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001379803206 922266840 /nfs/dbraw/zinc/26/68/40/922266840.db2.gz HUZKTURLSDVHAQ-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001379803206 922266853 /nfs/dbraw/zinc/26/68/53/922266853.db2.gz HUZKTURLSDVHAQ-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cncn1C)c1nnnn1C ZINC001379800384 922267276 /nfs/dbraw/zinc/26/72/76/922267276.db2.gz HFMHXPZARDKFFV-NXEZZACHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379811296 922269904 /nfs/dbraw/zinc/26/99/04/922269904.db2.gz FUGNNALPDJVFMY-SVDPJWKOSA-N 1 1 310.358 -1.989 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cc(F)c[nH]1 ZINC001379813126 922271072 /nfs/dbraw/zinc/27/10/72/922271072.db2.gz QARZBSNDARKCEC-SECBINFHSA-N 1 1 311.321 -1.100 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379820440 922272815 /nfs/dbraw/zinc/27/28/15/922272815.db2.gz FUJZLTNEDXOSCY-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379825337 922273027 /nfs/dbraw/zinc/27/30/27/922273027.db2.gz WUMXSZFCFSWBNH-QWRGUYRKSA-N 1 1 322.369 -1.625 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001379826244 922273309 /nfs/dbraw/zinc/27/33/09/922273309.db2.gz RRTRCNLRYOGKSZ-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1c[nH]c(=O)n1C ZINC001379819648 922273983 /nfs/dbraw/zinc/27/39/83/922273983.db2.gz CJTKLNVQJNGHFO-SECBINFHSA-N 1 1 310.314 -1.269 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCCN1C ZINC001379818452 922274266 /nfs/dbraw/zinc/27/42/66/922274266.db2.gz ACKYNTJODRLENO-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1c[nH]nn1 ZINC001379832560 922275072 /nfs/dbraw/zinc/27/50/72/922275072.db2.gz IQDSSFVEMGZANF-RYUDHWBXSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1cnn[nH]1 ZINC001379832560 922275083 /nfs/dbraw/zinc/27/50/83/922275083.db2.gz IQDSSFVEMGZANF-RYUDHWBXSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379831436 922276035 /nfs/dbraw/zinc/27/60/35/922276035.db2.gz YQIUBKIAKOIUPL-MWLCHTKSSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001379842230 922276497 /nfs/dbraw/zinc/27/64/97/922276497.db2.gz QYSNYBGSWPHRKA-RISCZKNCSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1c[nH]nn1 ZINC001379832570 922276545 /nfs/dbraw/zinc/27/65/45/922276545.db2.gz IQDSSFVEMGZANF-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1cnn[nH]1 ZINC001379832570 922276553 /nfs/dbraw/zinc/27/65/53/922276553.db2.gz IQDSSFVEMGZANF-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO CCc1oncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379835235 922277183 /nfs/dbraw/zinc/27/71/83/922277183.db2.gz BRIAQZWBRPGQQS-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001379841656 922277447 /nfs/dbraw/zinc/27/74/47/922277447.db2.gz PYNBFDWOPDBUGS-DTWKUNHWSA-N 1 1 313.358 -1.588 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1 ZINC001379855644 922278675 /nfs/dbraw/zinc/27/86/75/922278675.db2.gz CPQCOYXIUKHEKI-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnn(C)n1 ZINC001379847725 922278837 /nfs/dbraw/zinc/27/88/37/922278837.db2.gz ZCPAZBHFXFWBOL-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccc(=O)n(C)n1 ZINC001379856745 922278889 /nfs/dbraw/zinc/27/88/89/922278889.db2.gz FPDDQNLNFVESJQ-SNVBAGLBSA-N 1 1 322.325 -1.614 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001379844778 922279188 /nfs/dbraw/zinc/27/91/88/922279188.db2.gz QWNPTAFWUYHDJH-LLVKDONJSA-N 1 1 313.358 -1.107 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851719 922280809 /nfs/dbraw/zinc/28/08/09/922280809.db2.gz YBTYAKMQLBPGOB-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCNC(N)=O)o1 ZINC001379863838 922283361 /nfs/dbraw/zinc/28/33/61/922283361.db2.gz ROUCWYVQGSWRRA-SNVBAGLBSA-N 1 1 313.358 -1.050 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001379865554 922284193 /nfs/dbraw/zinc/28/41/93/922284193.db2.gz ITHBPRXBTZLCDY-VHSXEESVSA-N 1 1 318.374 -1.772 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379870150 922284342 /nfs/dbraw/zinc/28/43/42/922284342.db2.gz ULHSCUZWHRQDRK-JTQLQIEISA-N 1 1 314.390 -1.241 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CCNC(N)=O ZINC001379860356 922284399 /nfs/dbraw/zinc/28/43/99/922284399.db2.gz MGVNCLATXRAOCM-VIFPVBQESA-N 1 1 313.362 -2.218 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001379894834 922286046 /nfs/dbraw/zinc/28/60/46/922286046.db2.gz CNDAYBKOGCJFNB-ZJUUUORDSA-N 1 1 313.362 -2.312 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379873113 922286437 /nfs/dbraw/zinc/28/64/37/922286437.db2.gz VELDJFLPHKANQT-RKDXNWHRSA-N 1 1 304.347 -2.033 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897687 922286735 /nfs/dbraw/zinc/28/67/35/922286735.db2.gz IUMUAXVXLDBSAD-VXGBXAGGSA-N 1 1 311.386 -1.231 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897687 922286745 /nfs/dbraw/zinc/28/67/45/922286745.db2.gz IUMUAXVXLDBSAD-VXGBXAGGSA-N 1 1 311.386 -1.231 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379885485 922289127 /nfs/dbraw/zinc/28/91/27/922289127.db2.gz KRXCTUCNVGQTTM-SECBINFHSA-N 1 1 304.347 -2.031 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379885485 922289142 /nfs/dbraw/zinc/28/91/42/922289142.db2.gz KRXCTUCNVGQTTM-SECBINFHSA-N 1 1 304.347 -2.031 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001379914633 922290459 /nfs/dbraw/zinc/29/04/59/922290459.db2.gz QCIZCRYXAHACGB-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001379914633 922290465 /nfs/dbraw/zinc/29/04/65/922290465.db2.gz QCIZCRYXAHACGB-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001379919298 922291202 /nfs/dbraw/zinc/29/12/02/922291202.db2.gz WYNDATSZNSNPOI-NXEZZACHSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001379919298 922291213 /nfs/dbraw/zinc/29/12/13/922291213.db2.gz WYNDATSZNSNPOI-NXEZZACHSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001379903192 922291449 /nfs/dbraw/zinc/29/14/49/922291449.db2.gz ZAFNJEPOWNHFTG-RYUDHWBXSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911189 922291489 /nfs/dbraw/zinc/29/14/89/922291489.db2.gz MWUNOWQLGNEYQB-ZJUUUORDSA-N 1 1 324.385 -1.442 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911189 922291502 /nfs/dbraw/zinc/29/15/02/922291502.db2.gz MWUNOWQLGNEYQB-ZJUUUORDSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905408 922291739 /nfs/dbraw/zinc/29/17/39/922291739.db2.gz DASDGCCMOWGZTJ-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905408 922291754 /nfs/dbraw/zinc/29/17/54/922291754.db2.gz DASDGCCMOWGZTJ-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379915157 922292016 /nfs/dbraw/zinc/29/20/16/922292016.db2.gz RTTXIBLQGQBIFE-NWDGAFQWSA-N 1 1 316.402 -1.520 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001379903194 922292130 /nfs/dbraw/zinc/29/21/30/922292130.db2.gz ZAFNJEPOWNHFTG-VXGBXAGGSA-N 1 1 309.370 -1.327 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379916206 922292982 /nfs/dbraw/zinc/29/29/82/922292982.db2.gz GPWPBYDGMNZWSO-UWVGGRQHSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379916206 922292995 /nfs/dbraw/zinc/29/29/95/922292995.db2.gz GPWPBYDGMNZWSO-UWVGGRQHSA-N 1 1 312.374 -1.464 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001379901714 922293136 /nfs/dbraw/zinc/29/31/36/922293136.db2.gz UDIZIKZSMGBCHB-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001379901714 922293149 /nfs/dbraw/zinc/29/31/49/922293149.db2.gz UDIZIKZSMGBCHB-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001379916441 922293663 /nfs/dbraw/zinc/29/36/63/922293663.db2.gz RKHZACJLQOTPPP-SECBINFHSA-N 1 1 312.374 -1.887 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001379916441 922293679 /nfs/dbraw/zinc/29/36/79/922293679.db2.gz RKHZACJLQOTPPP-SECBINFHSA-N 1 1 312.374 -1.887 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379935347 922294734 /nfs/dbraw/zinc/29/47/34/922294734.db2.gz KGHCMCXWORDVAY-VXGBXAGGSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379935347 922294750 /nfs/dbraw/zinc/29/47/50/922294750.db2.gz KGHCMCXWORDVAY-VXGBXAGGSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001379939775 922296037 /nfs/dbraw/zinc/29/60/37/922296037.db2.gz RFTOJVSINXTFSG-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001379939775 922296049 /nfs/dbraw/zinc/29/60/49/922296049.db2.gz RFTOJVSINXTFSG-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001379934251 922296221 /nfs/dbraw/zinc/29/62/21/922296221.db2.gz RAQRROKPRTVPMF-JTQLQIEISA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001379934251 922296235 /nfs/dbraw/zinc/29/62/35/922296235.db2.gz RAQRROKPRTVPMF-JTQLQIEISA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379935337 922296445 /nfs/dbraw/zinc/29/64/45/922296445.db2.gz KGHCMCXWORDVAY-NWDGAFQWSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379935337 922296459 /nfs/dbraw/zinc/29/64/59/922296459.db2.gz KGHCMCXWORDVAY-NWDGAFQWSA-N 1 1 322.427 -1.445 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)COC ZINC001379933883 922296829 /nfs/dbraw/zinc/29/68/29/922296829.db2.gz FXYBWNKCGBCUTM-MNOVXSKESA-N 1 1 304.391 -1.299 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936745 922297456 /nfs/dbraw/zinc/29/74/56/922297456.db2.gz KDKLBYLQMRJSQY-JQWIXIFHSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936745 922297474 /nfs/dbraw/zinc/29/74/74/922297474.db2.gz KDKLBYLQMRJSQY-JQWIXIFHSA-N 1 1 311.386 -1.033 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)CCn2cnnn2)C2CC2)n1 ZINC001379924888 922297605 /nfs/dbraw/zinc/29/76/05/922297605.db2.gz RSPAFNUSCWTFQA-GFCCVEGCSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001379930204 922297801 /nfs/dbraw/zinc/29/78/01/922297801.db2.gz BNJBEVWJYVCGPI-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001379930204 922297813 /nfs/dbraw/zinc/29/78/13/922297813.db2.gz BNJBEVWJYVCGPI-WDEREUQCSA-N 1 1 314.386 -1.909 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)CC1=O ZINC001379932361 922298320 /nfs/dbraw/zinc/29/83/20/922298320.db2.gz DLUPOXIRQIZLIW-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)CC1=O ZINC001379932361 922298331 /nfs/dbraw/zinc/29/83/31/922298331.db2.gz DLUPOXIRQIZLIW-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001379955778 922299465 /nfs/dbraw/zinc/29/94/65/922299465.db2.gz BJWPGDOSAVNORF-GFCCVEGCSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001379955778 922299490 /nfs/dbraw/zinc/29/94/90/922299490.db2.gz BJWPGDOSAVNORF-GFCCVEGCSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957317 922299552 /nfs/dbraw/zinc/29/95/52/922299552.db2.gz DIAJLFULJDUHTJ-HTQZYQBOSA-N 1 1 301.322 -1.213 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957317 922299568 /nfs/dbraw/zinc/29/95/68/922299568.db2.gz DIAJLFULJDUHTJ-HTQZYQBOSA-N 1 1 301.322 -1.213 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc(Cl)n(C)n1 ZINC001379942343 922300572 /nfs/dbraw/zinc/30/05/72/922300572.db2.gz YNGPHECVDWUVAP-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc(Cl)n(C)n1 ZINC001379942343 922300587 /nfs/dbraw/zinc/30/05/87/922300587.db2.gz YNGPHECVDWUVAP-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001379948775 922301073 /nfs/dbraw/zinc/30/10/73/922301073.db2.gz KNHGWUKOELZFAA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001379948775 922301089 /nfs/dbraw/zinc/30/10/89/922301089.db2.gz KNHGWUKOELZFAA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379944870 922302130 /nfs/dbraw/zinc/30/21/30/922302130.db2.gz XHEOVNDWDSQYGV-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379944870 922302145 /nfs/dbraw/zinc/30/21/45/922302145.db2.gz XHEOVNDWDSQYGV-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001379956002 922302394 /nfs/dbraw/zinc/30/23/94/922302394.db2.gz BPZUWIWBVJHQPL-RWMBFGLXSA-N 1 1 314.430 -1.047 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c(=O)c1 ZINC001379967913 922303515 /nfs/dbraw/zinc/30/35/15/922303515.db2.gz UMRQALAPAATMMD-CYBMUJFWSA-N 1 1 311.382 -1.100 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379966099 922304233 /nfs/dbraw/zinc/30/42/33/922304233.db2.gz LAELZVOHMLKJPR-BJJPWKGXSA-N 1 1 316.398 -1.363 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379964177 922305033 /nfs/dbraw/zinc/30/50/33/922305033.db2.gz NYJMAKSDLOVLJL-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001379969521 922305290 /nfs/dbraw/zinc/30/52/90/922305290.db2.gz NOKKCQGGMHPELU-QWRGUYRKSA-N 1 1 317.357 -1.357 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001379969082 922305334 /nfs/dbraw/zinc/30/53/34/922305334.db2.gz NEHJGHOLNWYNIJ-KOLCDFICSA-N 1 1 311.342 -1.335 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2c1 ZINC001379970043 922305405 /nfs/dbraw/zinc/30/54/05/922305405.db2.gz KQEPSYMWVSPUHD-JTQLQIEISA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2c1 ZINC001379970043 922305420 /nfs/dbraw/zinc/30/54/20/922305420.db2.gz KQEPSYMWVSPUHD-JTQLQIEISA-N 1 1 320.353 -1.192 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379960062 922306042 /nfs/dbraw/zinc/30/60/42/922306042.db2.gz DRNZTUFYSHJUDH-GUBZILKMSA-N 1 1 300.359 -1.412 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379960062 922306058 /nfs/dbraw/zinc/30/60/58/922306058.db2.gz DRNZTUFYSHJUDH-GUBZILKMSA-N 1 1 300.359 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001379972198 922307839 /nfs/dbraw/zinc/30/78/39/922307839.db2.gz GOECYTMLDYLSRZ-PWSUYJOCSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001379972198 922307851 /nfs/dbraw/zinc/30/78/51/922307851.db2.gz GOECYTMLDYLSRZ-PWSUYJOCSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(CC(N)=O)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001379973693 922308333 /nfs/dbraw/zinc/30/83/33/922308333.db2.gz UHZXTEFYDSLOCV-LBPRGKRZSA-N 1 1 316.402 -2.055 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001379974041 922308539 /nfs/dbraw/zinc/30/85/39/922308539.db2.gz RABGBYWRXUXFIO-VHSXEESVSA-N 1 1 309.388 -2.579 20 0 DAADMO CNC(=O)c1cccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)n1 ZINC001379977342 922309468 /nfs/dbraw/zinc/30/94/68/922309468.db2.gz FBRAGUSDTOETDM-LLVKDONJSA-N 1 1 324.381 -1.202 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001379976270 922310323 /nfs/dbraw/zinc/31/03/23/922310323.db2.gz WQTOLWGNYPUBNA-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001379976270 922310332 /nfs/dbraw/zinc/31/03/32/922310332.db2.gz WQTOLWGNYPUBNA-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974956 922310476 /nfs/dbraw/zinc/31/04/76/922310476.db2.gz VMLZGFSLJRTQIR-MNOVXSKESA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974956 922310494 /nfs/dbraw/zinc/31/04/94/922310494.db2.gz VMLZGFSLJRTQIR-MNOVXSKESA-N 1 1 311.386 -1.162 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001379975454 922310528 /nfs/dbraw/zinc/31/05/28/922310528.db2.gz UKSDOBFAHDHZHT-QWRGUYRKSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379975705 922311308 /nfs/dbraw/zinc/31/13/08/922311308.db2.gz UVBUICYXBSCZKB-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379975705 922311319 /nfs/dbraw/zinc/31/13/19/922311319.db2.gz UVBUICYXBSCZKB-LBPRGKRZSA-N 1 1 311.386 -1.411 20 0 DAADMO CNC(=O)c1cccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)n1 ZINC001379977375 922311743 /nfs/dbraw/zinc/31/17/43/922311743.db2.gz FBRAGUSDTOETDM-NSHDSACASA-N 1 1 324.381 -1.202 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CC(=O)NC(N)=O ZINC001379978388 922311826 /nfs/dbraw/zinc/31/18/26/922311826.db2.gz NSARLSIUWLEFQT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1nn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c(=O)n1C ZINC001379986980 922312690 /nfs/dbraw/zinc/31/26/90/922312690.db2.gz RJWFDJORWNDVDB-NSHDSACASA-N 1 1 315.374 -2.366 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984008 922314581 /nfs/dbraw/zinc/31/45/81/922314581.db2.gz VSIFRFRPXGCETK-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001379984008 922314596 /nfs/dbraw/zinc/31/45/96/922314596.db2.gz VSIFRFRPXGCETK-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1CC(=O)NC(N)=O)C1CCC1 ZINC001379983212 922314649 /nfs/dbraw/zinc/31/46/49/922314649.db2.gz MTDRJNSCJAZWFH-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379981437 922314690 /nfs/dbraw/zinc/31/46/90/922314690.db2.gz FUHYSRXTSOYUOP-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cc1nnc[nH]1 ZINC001379980061 922315332 /nfs/dbraw/zinc/31/53/32/922315332.db2.gz PWSIMZVDVOKBQB-GFCCVEGCSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCn1cccn1)C(=O)Cc1ncn[nH]1 ZINC001379980061 922315356 /nfs/dbraw/zinc/31/53/56/922315356.db2.gz PWSIMZVDVOKBQB-GFCCVEGCSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cc1ncn[nH]1 ZINC001379980061 922315370 /nfs/dbraw/zinc/31/53/70/922315370.db2.gz PWSIMZVDVOKBQB-GFCCVEGCSA-N 1 1 321.385 -1.005 20 0 DAADMO COc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)cnn1C ZINC001379989167 922315719 /nfs/dbraw/zinc/31/57/19/922315719.db2.gz XKKRFPGWFZISDT-JTQLQIEISA-N 1 1 300.359 -1.214 20 0 DAADMO Cc1nn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c(=O)n1C ZINC001379986976 922315988 /nfs/dbraw/zinc/31/59/88/922315988.db2.gz RJWFDJORWNDVDB-LLVKDONJSA-N 1 1 315.374 -2.366 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379981430 922316219 /nfs/dbraw/zinc/31/62/19/922316219.db2.gz FUHYSRXTSOYUOP-GHMZBOCLSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001380015046 922318904 /nfs/dbraw/zinc/31/89/04/922318904.db2.gz RVIBBJKPFYSINW-JTQLQIEISA-N 1 1 306.326 -1.926 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001380009612 922319365 /nfs/dbraw/zinc/31/93/65/922319365.db2.gz PJXBDRUFFWYPGX-STQMWFEESA-N 1 1 311.386 -1.055 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001380061885 922322399 /nfs/dbraw/zinc/32/23/99/922322399.db2.gz GLKPXZGPEKSHMZ-SNVBAGLBSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001380061885 922322406 /nfs/dbraw/zinc/32/24/06/922322406.db2.gz GLKPXZGPEKSHMZ-SNVBAGLBSA-N 1 1 309.374 -1.721 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001380106147 922328829 /nfs/dbraw/zinc/32/88/29/922328829.db2.gz UJHILLANSBHKAO-LBPRGKRZSA-N 1 1 301.387 -1.040 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001380106141 922329062 /nfs/dbraw/zinc/32/90/62/922329062.db2.gz UJHILLANSBHKAO-GFCCVEGCSA-N 1 1 301.387 -1.040 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001380116249 922330698 /nfs/dbraw/zinc/33/06/98/922330698.db2.gz OAMWZGVFLNBBAB-GFCCVEGCSA-N 1 1 311.386 -1.103 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)c3cnn[nH]3)CC2)CCO1 ZINC001380118351 922332340 /nfs/dbraw/zinc/33/23/40/922332340.db2.gz ZVLAWTNMQUJHKG-SNVBAGLBSA-N 1 1 322.369 -1.096 20 0 DAADMO C[NH+]1CCC(C(=O)NCC2(NCC(=O)NC(N)=O)CC2)CC1 ZINC001380135053 922334491 /nfs/dbraw/zinc/33/44/91/922334491.db2.gz KDHRMDOMPKTQAW-UHFFFAOYSA-N 1 1 311.386 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)NC ZINC001380186975 922338118 /nfs/dbraw/zinc/33/81/18/922338118.db2.gz ZDCWMRFLVBTMSY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)NC ZINC001380186975 922338128 /nfs/dbraw/zinc/33/81/28/922338128.db2.gz ZDCWMRFLVBTMSY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCc2cnn(C)n2)C1 ZINC001380230850 922341198 /nfs/dbraw/zinc/34/11/98/922341198.db2.gz AZJPFSWDZOASMV-CYBMUJFWSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CN(CC(=O)NC(N)=O)C1 ZINC001380252749 922342969 /nfs/dbraw/zinc/34/29/69/922342969.db2.gz QHKBYQWBOMGXRQ-HNNXBMFYSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(CC(=O)NC(N)=O)C2)C1 ZINC001380241316 922343769 /nfs/dbraw/zinc/34/37/69/922343769.db2.gz NKWKTPNKDLIRPD-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)Cn2cnnn2)C1 ZINC001380272116 922346701 /nfs/dbraw/zinc/34/67/01/922346701.db2.gz LGHJMWFKULAFHL-MCIGGMRASA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001380310748 922348322 /nfs/dbraw/zinc/34/83/22/922348322.db2.gz DQBRPSJTDZYWDW-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001380332754 922350063 /nfs/dbraw/zinc/35/00/63/922350063.db2.gz KJKXQXUBLYKBID-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380346829 922352143 /nfs/dbraw/zinc/35/21/43/922352143.db2.gz AYTPQNNVWWIQOJ-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380340882 922352331 /nfs/dbraw/zinc/35/23/31/922352331.db2.gz GGRFOBQHGGTALW-QWHCGFSZSA-N 1 1 312.414 -1.291 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001380351783 922352818 /nfs/dbraw/zinc/35/28/18/922352818.db2.gz NJZMCQJITBVWLQ-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001380351783 922352829 /nfs/dbraw/zinc/35/28/29/922352829.db2.gz NJZMCQJITBVWLQ-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001380366285 922352876 /nfs/dbraw/zinc/35/28/76/922352876.db2.gz OYMROMAPUCIATJ-AWEZNQCLSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cc2cc[nH]n2)C1 ZINC001380366285 922352887 /nfs/dbraw/zinc/35/28/87/922352887.db2.gz OYMROMAPUCIATJ-AWEZNQCLSA-N 1 1 322.369 -1.012 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380346826 922353150 /nfs/dbraw/zinc/35/31/50/922353150.db2.gz AYTPQNNVWWIQOJ-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO Cc1cnn(CC(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380346682 922353643 /nfs/dbraw/zinc/35/36/43/922353643.db2.gz LSKQPELEVLXXPF-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1cnn(CC(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380346682 922353658 /nfs/dbraw/zinc/35/36/58/922353658.db2.gz LSKQPELEVLXXPF-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001380358182 922354819 /nfs/dbraw/zinc/35/48/19/922354819.db2.gz OXRINOSDRJEBQP-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001380378170 922356213 /nfs/dbraw/zinc/35/62/13/922356213.db2.gz OKKUQRPHRNPGFF-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380375011 922356624 /nfs/dbraw/zinc/35/66/24/922356624.db2.gz DJGVTLQTWGYWIW-GWCFXTLKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001380378169 922357474 /nfs/dbraw/zinc/35/74/74/922357474.db2.gz OKKUQRPHRNPGFF-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001380407604 922357565 /nfs/dbraw/zinc/35/75/65/922357565.db2.gz VOMHYOWTCTUKPA-ZANVPECISA-N 1 1 323.357 -1.353 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001380377200 922357682 /nfs/dbraw/zinc/35/76/82/922357682.db2.gz NEZHFQUZBUCJHB-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001380416599 922358428 /nfs/dbraw/zinc/35/84/28/922358428.db2.gz BAWSHENPORPMBN-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001380516893 922361297 /nfs/dbraw/zinc/36/12/97/922361297.db2.gz DYELKJAEMXOSDD-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001380516893 922361310 /nfs/dbraw/zinc/36/13/10/922361310.db2.gz DYELKJAEMXOSDD-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001380514694 922362348 /nfs/dbraw/zinc/36/23/48/922362348.db2.gz IRJFJVBXDMGBPH-CQSZACIVSA-N 1 1 317.353 -1.179 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001380512428 922362450 /nfs/dbraw/zinc/36/24/50/922362450.db2.gz AOWFGONVVYSLHL-SMDDNHRTSA-N 1 1 309.370 -1.429 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001380517314 922363399 /nfs/dbraw/zinc/36/33/99/922363399.db2.gz GDJBKTQMCBBBAG-BXUZGUMPSA-N 1 1 315.370 -1.909 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001380517314 922363414 /nfs/dbraw/zinc/36/34/14/922363414.db2.gz GDJBKTQMCBBBAG-BXUZGUMPSA-N 1 1 315.370 -1.909 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001380516940 922363814 /nfs/dbraw/zinc/36/38/14/922363814.db2.gz XGIGDFHNSWEEBI-NOZJJQNGSA-N 1 1 314.342 -2.087 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001380516940 922363831 /nfs/dbraw/zinc/36/38/31/922363831.db2.gz XGIGDFHNSWEEBI-NOZJJQNGSA-N 1 1 314.342 -2.087 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380513248 922363945 /nfs/dbraw/zinc/36/39/45/922363945.db2.gz DLEJDJTVBBNXDB-XHDPSFHLSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380513248 922363961 /nfs/dbraw/zinc/36/39/61/922363961.db2.gz DLEJDJTVBBNXDB-XHDPSFHLSA-N 1 1 324.381 -1.950 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001380516956 922364291 /nfs/dbraw/zinc/36/42/91/922364291.db2.gz XGIGDFHNSWEEBI-ZANVPECISA-N 1 1 314.342 -2.087 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001380516956 922364308 /nfs/dbraw/zinc/36/43/08/922364308.db2.gz XGIGDFHNSWEEBI-ZANVPECISA-N 1 1 314.342 -2.087 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC001380516454 922364342 /nfs/dbraw/zinc/36/43/42/922364342.db2.gz NJRUENDYDXRXHF-OAHLLOKOSA-N 1 1 323.397 -1.167 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)c1 ZINC001380516454 922364361 /nfs/dbraw/zinc/36/43/61/922364361.db2.gz NJRUENDYDXRXHF-OAHLLOKOSA-N 1 1 323.397 -1.167 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380531482 922365627 /nfs/dbraw/zinc/36/56/27/922365627.db2.gz FUXJYVVSWWETRG-UFBFGSQYSA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380531482 922365641 /nfs/dbraw/zinc/36/56/41/922365641.db2.gz FUXJYVVSWWETRG-UFBFGSQYSA-N 1 1 301.347 -2.658 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380531872 922365894 /nfs/dbraw/zinc/36/58/94/922365894.db2.gz HPICXFWIQFJDEM-LLVKDONJSA-N 1 1 309.388 -2.529 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525926 922366007 /nfs/dbraw/zinc/36/60/07/922366007.db2.gz HPLCICCBQHZYFN-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380525926 922366022 /nfs/dbraw/zinc/36/60/22/922366022.db2.gz HPLCICCBQHZYFN-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380527478 922366091 /nfs/dbraw/zinc/36/60/91/922366091.db2.gz BXNLLJGLIBWXBO-CQSZACIVSA-N 1 1 319.369 -1.203 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC001380520055 922367089 /nfs/dbraw/zinc/36/70/89/922367089.db2.gz KCHJQFMJJRVZTB-AWEZNQCLSA-N 1 1 307.354 -1.191 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC001380520055 922367106 /nfs/dbraw/zinc/36/71/06/922367106.db2.gz KCHJQFMJJRVZTB-AWEZNQCLSA-N 1 1 307.354 -1.191 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)ncn1 ZINC001380529372 922367327 /nfs/dbraw/zinc/36/73/27/922367327.db2.gz AJNXDERZAWLNGJ-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)ncn1 ZINC001380529372 922367334 /nfs/dbraw/zinc/36/73/34/922367334.db2.gz AJNXDERZAWLNGJ-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001380521670 922367376 /nfs/dbraw/zinc/36/73/76/922367376.db2.gz OTXHMNNSHZNLLP-YGRLFVJLSA-N 1 1 314.386 -1.848 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380527476 922368196 /nfs/dbraw/zinc/36/81/96/922368196.db2.gz BXNLLJGLIBWXBO-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC001380519687 922368495 /nfs/dbraw/zinc/36/84/95/922368495.db2.gz KQECDYAGRTUGFM-AWEZNQCLSA-N 1 1 316.402 -1.107 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnnn3C)C2)C1=O ZINC001380529625 922368600 /nfs/dbraw/zinc/36/86/00/922368600.db2.gz DFHDVRWGSSQDKL-HZMBPMFUSA-N 1 1 322.369 -1.788 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC001380519689 922369316 /nfs/dbraw/zinc/36/93/16/922369316.db2.gz KQECDYAGRTUGFM-CQSZACIVSA-N 1 1 316.402 -1.107 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnnn3C)C2)C1=O ZINC001380529634 922369448 /nfs/dbraw/zinc/36/94/48/922369448.db2.gz DFHDVRWGSSQDKL-YGRLFVJLSA-N 1 1 322.369 -1.788 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380539127 922372290 /nfs/dbraw/zinc/37/22/90/922372290.db2.gz ZXEZEPRMZOBIOV-YGRLFVJLSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380539127 922372300 /nfs/dbraw/zinc/37/23/00/922372300.db2.gz ZXEZEPRMZOBIOV-YGRLFVJLSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001380536842 922372326 /nfs/dbraw/zinc/37/23/26/922372326.db2.gz VIWMUIWZSPIDMV-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001380536842 922372340 /nfs/dbraw/zinc/37/23/40/922372340.db2.gz VIWMUIWZSPIDMV-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)no1 ZINC001380532561 922373312 /nfs/dbraw/zinc/37/33/12/922373312.db2.gz MXUJQFFZHHDJBV-IINYFYTJSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)no1 ZINC001380532561 922373326 /nfs/dbraw/zinc/37/33/26/922373326.db2.gz MXUJQFFZHHDJBV-IINYFYTJSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)no1 ZINC001380532570 922374026 /nfs/dbraw/zinc/37/40/26/922374026.db2.gz MXUJQFFZHHDJBV-YGRLFVJLSA-N 1 1 310.354 -1.048 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)no1 ZINC001380532570 922374041 /nfs/dbraw/zinc/37/40/41/922374041.db2.gz MXUJQFFZHHDJBV-YGRLFVJLSA-N 1 1 310.354 -1.048 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001380532258 922374142 /nfs/dbraw/zinc/37/41/42/922374142.db2.gz JPEIWIUFNKGHMO-IINYFYTJSA-N 1 1 324.385 -1.470 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001380532258 922374153 /nfs/dbraw/zinc/37/41/53/922374153.db2.gz JPEIWIUFNKGHMO-IINYFYTJSA-N 1 1 324.385 -1.470 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380533581 922374482 /nfs/dbraw/zinc/37/44/82/922374482.db2.gz MBETVLMSRQBCEX-IUODEOHRSA-N 1 1 323.397 -1.221 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001380536848 922374815 /nfs/dbraw/zinc/37/48/15/922374815.db2.gz VIWMUIWZSPIDMV-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001380536848 922374831 /nfs/dbraw/zinc/37/48/31/922374831.db2.gz VIWMUIWZSPIDMV-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380534125 922374961 /nfs/dbraw/zinc/37/49/61/922374961.db2.gz BCZRALCGBAUAOL-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543330 922375530 /nfs/dbraw/zinc/37/55/30/922375530.db2.gz AUAGMMIVAFBYNN-TVEHIPJCSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543330 922375545 /nfs/dbraw/zinc/37/55/45/922375545.db2.gz AUAGMMIVAFBYNN-TVEHIPJCSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543339 922376890 /nfs/dbraw/zinc/37/68/90/922376890.db2.gz AUAGMMIVAFBYNN-VNUHZKFNSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543339 922376906 /nfs/dbraw/zinc/37/69/06/922376906.db2.gz AUAGMMIVAFBYNN-VNUHZKFNSA-N 1 1 309.366 -1.680 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001380545684 922376934 /nfs/dbraw/zinc/37/69/34/922376934.db2.gz UOLFAPOFAZUNBP-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001380545684 922376948 /nfs/dbraw/zinc/37/69/48/922376948.db2.gz UOLFAPOFAZUNBP-ZDUSSCGKSA-N 1 1 309.326 -1.863 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001380541807 922377241 /nfs/dbraw/zinc/37/72/41/922377241.db2.gz DCEXBZZCKXOGSS-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001380541807 922377247 /nfs/dbraw/zinc/37/72/47/922377247.db2.gz DCEXBZZCKXOGSS-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542158 922378097 /nfs/dbraw/zinc/37/80/97/922378097.db2.gz DJYWEVUCWQNJNF-RISCZKNCSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542158 922378108 /nfs/dbraw/zinc/37/81/08/922378108.db2.gz DJYWEVUCWQNJNF-RISCZKNCSA-N 1 1 324.385 -1.515 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542557 922378363 /nfs/dbraw/zinc/37/83/63/922378363.db2.gz FPXAWNIDBSDZGB-RISCZKNCSA-N 1 1 314.386 -2.255 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542557 922378376 /nfs/dbraw/zinc/37/83/76/922378376.db2.gz FPXAWNIDBSDZGB-RISCZKNCSA-N 1 1 314.386 -2.255 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001380546323 922378873 /nfs/dbraw/zinc/37/88/73/922378873.db2.gz BDSAWNHSONATPB-IPYPFGDCSA-N 1 1 316.398 -1.027 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001380543718 922379286 /nfs/dbraw/zinc/37/92/86/922379286.db2.gz UMQOIZJEMMTYGS-CQSZACIVSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001380543718 922379296 /nfs/dbraw/zinc/37/92/96/922379296.db2.gz UMQOIZJEMMTYGS-CQSZACIVSA-N 1 1 312.370 -2.107 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001380540917 922379562 /nfs/dbraw/zinc/37/95/62/922379562.db2.gz YTGZAJILOXOBMV-ZWNOBZJWSA-N 1 1 324.341 -2.024 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001380540917 922379578 /nfs/dbraw/zinc/37/95/78/922379578.db2.gz YTGZAJILOXOBMV-ZWNOBZJWSA-N 1 1 324.341 -2.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548303 922380849 /nfs/dbraw/zinc/38/08/49/922380849.db2.gz FPJKDSOQVNDASP-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548303 922380872 /nfs/dbraw/zinc/38/08/72/922380872.db2.gz FPJKDSOQVNDASP-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ncccn1 ZINC001380548211 922380906 /nfs/dbraw/zinc/38/09/06/922380906.db2.gz FEXPRFYDTSWWOF-XHDPSFHLSA-N 1 1 319.365 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548305 922381242 /nfs/dbraw/zinc/38/12/42/922381242.db2.gz FPJKDSOQVNDASP-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548305 922381252 /nfs/dbraw/zinc/38/12/52/922381252.db2.gz FPJKDSOQVNDASP-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001380550751 922381867 /nfs/dbraw/zinc/38/18/67/922381867.db2.gz OMGSRFHITWRPSC-ZIAGYGMSSA-N 1 1 317.361 -1.196 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001380550751 922381875 /nfs/dbraw/zinc/38/18/75/922381875.db2.gz OMGSRFHITWRPSC-ZIAGYGMSSA-N 1 1 317.361 -1.196 20 0 DAADMO COc1ccnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001380552319 922382191 /nfs/dbraw/zinc/38/21/91/922382191.db2.gz KNKMUBQBSWRHNU-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ccnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001380552319 922382209 /nfs/dbraw/zinc/38/22/09/922382209.db2.gz KNKMUBQBSWRHNU-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552816 922383039 /nfs/dbraw/zinc/38/30/39/922383039.db2.gz LNGNFNCZRHIUNJ-ZANVPECISA-N 1 1 313.333 -1.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552816 922383053 /nfs/dbraw/zinc/38/30/53/922383053.db2.gz LNGNFNCZRHIUNJ-ZANVPECISA-N 1 1 313.333 -1.021 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001380552687 922383579 /nfs/dbraw/zinc/38/35/79/922383579.db2.gz NJGIDOGQKYUDCP-FZMZJTMJSA-N 1 1 322.369 -1.740 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001380552085 922384326 /nfs/dbraw/zinc/38/43/26/922384326.db2.gz RFHDIIZWENOOJI-QMTHXVAHSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558670 922386445 /nfs/dbraw/zinc/38/64/45/922386445.db2.gz UTZOYVQSYGVBSW-FZMZJTMJSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558670 922386463 /nfs/dbraw/zinc/38/64/63/922386463.db2.gz UTZOYVQSYGVBSW-FZMZJTMJSA-N 1 1 309.370 -1.128 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001380558222 922387589 /nfs/dbraw/zinc/38/75/89/922387589.db2.gz YNKLGCPRTYXRFJ-TZMCWYRMSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001380558222 922387603 /nfs/dbraw/zinc/38/76/03/922387603.db2.gz YNKLGCPRTYXRFJ-TZMCWYRMSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380555887 922387729 /nfs/dbraw/zinc/38/77/29/922387729.db2.gz RNGPVPMWTPBFLZ-YGRLFVJLSA-N 1 1 323.353 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557732 922388046 /nfs/dbraw/zinc/38/80/46/922388046.db2.gz QUAJASSAJPWALF-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557732 922388064 /nfs/dbraw/zinc/38/80/64/922388064.db2.gz QUAJASSAJPWALF-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557588 922389267 /nfs/dbraw/zinc/38/92/67/922389267.db2.gz VVVXPLAQLHVOKF-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557588 922389278 /nfs/dbraw/zinc/38/92/78/922389278.db2.gz VVVXPLAQLHVOKF-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555946 922389968 /nfs/dbraw/zinc/38/99/68/922389968.db2.gz RRYMZHMWGNCTMC-ISVAXAHUSA-N 1 1 313.333 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555946 922389981 /nfs/dbraw/zinc/38/99/81/922389981.db2.gz RRYMZHMWGNCTMC-ISVAXAHUSA-N 1 1 313.333 -1.150 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557584 922390020 /nfs/dbraw/zinc/39/00/20/922390020.db2.gz VVVXPLAQLHVOKF-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557584 922390036 /nfs/dbraw/zinc/39/00/36/922390036.db2.gz VVVXPLAQLHVOKF-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)ncc1C(N)=O ZINC001380560403 922390804 /nfs/dbraw/zinc/39/08/04/922390804.db2.gz WFLYRERGFKZFLW-HNNXBMFYSA-N 1 1 322.365 -1.352 20 0 DAADMO Cn1cccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1=O ZINC001380563483 922390924 /nfs/dbraw/zinc/39/09/24/922390924.db2.gz HCXYIXYQNHWPAV-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1cccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001380563483 922390937 /nfs/dbraw/zinc/39/09/37/922390937.db2.gz HCXYIXYQNHWPAV-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001380558778 922391282 /nfs/dbraw/zinc/39/12/82/922391282.db2.gz ODOZOAKSCKFNSI-XHDPSFHLSA-N 1 1 309.366 -1.067 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380559424 922391596 /nfs/dbraw/zinc/39/15/96/922391596.db2.gz YBCGVRWTZJQMFS-MFKMUULPSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001380559508 922391757 /nfs/dbraw/zinc/39/17/57/922391757.db2.gz YRUJGSMYFFLQRE-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001380566110 922393626 /nfs/dbraw/zinc/39/36/26/922393626.db2.gz PGMIITBIRSYSOL-MLGOLLRUSA-N 1 1 324.425 -1.101 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cccn2c(=O)[nH]nc12 ZINC001380569639 922394044 /nfs/dbraw/zinc/39/40/44/922394044.db2.gz XYWKWKCKSSUDQX-AWEZNQCLSA-N 1 1 321.337 -1.406 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380559422 922394244 /nfs/dbraw/zinc/39/42/44/922394244.db2.gz YBCGVRWTZJQMFS-GXFFZTMASA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001380567018 922394302 /nfs/dbraw/zinc/39/43/02/922394302.db2.gz AGLJVJMHYWZIGH-AAEUAGOBSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001380567022 922394324 /nfs/dbraw/zinc/39/43/24/922394324.db2.gz AGLJVJMHYWZIGH-DGCLKSJQSA-N 1 1 319.427 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565502 922394959 /nfs/dbraw/zinc/39/49/59/922394959.db2.gz IHEYUSCHCQHWAW-ZANVPECISA-N 1 1 311.342 -1.191 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565502 922394974 /nfs/dbraw/zinc/39/49/74/922394974.db2.gz IHEYUSCHCQHWAW-ZANVPECISA-N 1 1 311.342 -1.191 20 0 DAADMO Cc1ccc(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001380574576 922395522 /nfs/dbraw/zinc/39/55/22/922395522.db2.gz RBBZMEIRIGQAQZ-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ccc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001380574576 922395537 /nfs/dbraw/zinc/39/55/37/922395537.db2.gz RBBZMEIRIGQAQZ-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001380570044 922395697 /nfs/dbraw/zinc/39/56/97/922395697.db2.gz QRMJJQFVIDBBBP-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001380570044 922395708 /nfs/dbraw/zinc/39/57/08/922395708.db2.gz QRMJJQFVIDBBBP-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001380573684 922396009 /nfs/dbraw/zinc/39/60/09/922396009.db2.gz ZTGKSSBFKYJIGX-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001380573684 922396019 /nfs/dbraw/zinc/39/60/19/922396019.db2.gz ZTGKSSBFKYJIGX-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001380570040 922396180 /nfs/dbraw/zinc/39/61/80/922396180.db2.gz QRMJJQFVIDBBBP-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2ccnc2)C1 ZINC001380570040 922396192 /nfs/dbraw/zinc/39/61/92/922396192.db2.gz QRMJJQFVIDBBBP-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001380570719 922396941 /nfs/dbraw/zinc/39/69/41/922396941.db2.gz JWNBELPVJMILDE-LBPRGKRZSA-N 1 1 323.415 -2.187 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001380570713 922397142 /nfs/dbraw/zinc/39/71/42/922397142.db2.gz JWNBELPVJMILDE-GFCCVEGCSA-N 1 1 323.415 -2.187 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)[C@H]1CCCS1(=O)=O ZINC001380574526 922397232 /nfs/dbraw/zinc/39/72/32/922397232.db2.gz QIVVWPWQVCEZAI-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCCS1(=O)=O ZINC001380574526 922397246 /nfs/dbraw/zinc/39/72/46/922397246.db2.gz QIVVWPWQVCEZAI-YPMHNXCESA-N 1 1 320.411 -1.501 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001380574378 922397956 /nfs/dbraw/zinc/39/79/56/922397956.db2.gz SBGRYXLLUCQYRB-OAHLLOKOSA-N 1 1 323.397 -1.050 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001380574378 922397963 /nfs/dbraw/zinc/39/79/63/922397963.db2.gz SBGRYXLLUCQYRB-OAHLLOKOSA-N 1 1 323.397 -1.050 20 0 DAADMO Cn1nncc1CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380575361 922399728 /nfs/dbraw/zinc/39/97/28/922399728.db2.gz SDARFRFBUPKWDX-DOMZBBRYSA-N 1 1 322.413 -1.180 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001380577390 922399872 /nfs/dbraw/zinc/39/98/72/922399872.db2.gz JLLXWUJNRSMLIH-QWHCGFSZSA-N 1 1 313.398 -1.484 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380575695 922400925 /nfs/dbraw/zinc/40/09/25/922400925.db2.gz SPPXIBXAOHSKQD-CQSZACIVSA-N 1 1 324.385 -1.469 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380575695 922400933 /nfs/dbraw/zinc/40/09/33/922400933.db2.gz SPPXIBXAOHSKQD-CQSZACIVSA-N 1 1 324.385 -1.469 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 ZINC001380582313 922402177 /nfs/dbraw/zinc/40/21/77/922402177.db2.gz TURCEGWZDWASAD-NSHDSACASA-N 1 1 319.427 -1.712 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001380583153 922402926 /nfs/dbraw/zinc/40/29/26/922402926.db2.gz ZDYSTYLRGZRZCD-NWDGAFQWSA-N 1 1 310.398 -1.526 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380580543 922403219 /nfs/dbraw/zinc/40/32/19/922403219.db2.gz IBEOHRXAOFEQKF-LBPRGKRZSA-N 1 1 308.386 -1.428 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001380583155 922404274 /nfs/dbraw/zinc/40/42/74/922404274.db2.gz ZDYSTYLRGZRZCD-VXGBXAGGSA-N 1 1 310.398 -1.526 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001380595305 922408656 /nfs/dbraw/zinc/40/86/56/922408656.db2.gz YDOUJCKMRPZXEB-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001380599445 922411000 /nfs/dbraw/zinc/41/10/00/922411000.db2.gz DFJKUKNCSRMHQV-ZDUSSCGKSA-N 1 1 315.414 -1.359 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001380599515 922411056 /nfs/dbraw/zinc/41/10/56/922411056.db2.gz KUJZINTZYLTTJZ-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001380603011 922414964 /nfs/dbraw/zinc/41/49/64/922414964.db2.gz PWXIUJBHEHPKRD-NEPJUHHUSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001380603014 922415059 /nfs/dbraw/zinc/41/50/59/922415059.db2.gz PWXIUJBHEHPKRD-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO NC(=O)c1ccc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)[nH]1 ZINC001380616137 922420599 /nfs/dbraw/zinc/42/05/99/922420599.db2.gz RHJFGGRJFMXLPP-JTQLQIEISA-N 1 1 322.365 -1.073 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380640757 922430066 /nfs/dbraw/zinc/43/00/66/922430066.db2.gz DWOZIDROYJEBAG-RYUDHWBXSA-N 1 1 301.387 -1.892 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001380645319 922430347 /nfs/dbraw/zinc/43/03/47/922430347.db2.gz WTTIIKYLZYAHBZ-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380644399 922430491 /nfs/dbraw/zinc/43/04/91/922430491.db2.gz YNSNLPVEGKIBDC-VXGBXAGGSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380642165 922432360 /nfs/dbraw/zinc/43/23/60/922432360.db2.gz LTKFXPWDZOMHOA-VXGBXAGGSA-N 1 1 312.414 -1.422 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001380650000 922435001 /nfs/dbraw/zinc/43/50/01/922435001.db2.gz PQEKDPGYIIKIGT-JTQLQIEISA-N 1 1 300.359 -1.756 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001380687635 922436781 /nfs/dbraw/zinc/43/67/81/922436781.db2.gz XLZFUXNVDWVCSZ-PWSUYJOCSA-N 1 1 323.401 -1.128 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]2C1 ZINC001380703177 922437028 /nfs/dbraw/zinc/43/70/28/922437028.db2.gz BHWOCMOOXOGWHA-WUHRBBMRSA-N 1 1 313.398 -1.105 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001380702475 922438313 /nfs/dbraw/zinc/43/83/13/922438313.db2.gz FGILLVJTQRJIHP-RGOKHQFPSA-N 1 1 323.353 -2.307 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]2C1 ZINC001380706106 922439343 /nfs/dbraw/zinc/43/93/43/922439343.db2.gz UHQNVHWCBQFTGW-AOOOYVTPSA-N 1 1 318.399 -2.328 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001380707377 922439768 /nfs/dbraw/zinc/43/97/68/922439768.db2.gz XQFZBCKYESUCJG-TXEJJXNPSA-N 1 1 319.427 -1.302 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001380709413 922440185 /nfs/dbraw/zinc/44/01/85/922440185.db2.gz TVMDUHXSRUUSKB-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C1 ZINC001380704110 922440297 /nfs/dbraw/zinc/44/02/97/922440297.db2.gz CNLJURKXCIZNBI-SDDRHHMPSA-N 1 1 319.427 -1.039 20 0 DAADMO C[C@H]([NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1)C(N)=O ZINC001380718217 922441422 /nfs/dbraw/zinc/44/14/22/922441422.db2.gz JRIITGYVWLIXNM-VIFPVBQESA-N 1 1 309.374 -1.538 20 0 DAADMO C[C@H]([NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1)C(N)=O ZINC001380718217 922441430 /nfs/dbraw/zinc/44/14/30/922441430.db2.gz JRIITGYVWLIXNM-VIFPVBQESA-N 1 1 309.374 -1.538 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001380741766 922447867 /nfs/dbraw/zinc/44/78/67/922447867.db2.gz NSPNCNFYAXLXTE-GWCFXTLKSA-N 1 1 312.374 -1.198 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 ZINC001380763348 922450624 /nfs/dbraw/zinc/45/06/24/922450624.db2.gz JBNSDAWBQOUGHY-GDPRMGEGSA-N 1 1 324.385 -1.294 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001380762855 922451121 /nfs/dbraw/zinc/45/11/21/922451121.db2.gz BDXPZGKNJGNNMM-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCCN2C)C1=O ZINC001380761814 922451490 /nfs/dbraw/zinc/45/14/90/922451490.db2.gz HJYDXXOABVQYGQ-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO)S(C)(=O)=O ZINC001380771940 922453206 /nfs/dbraw/zinc/45/32/06/922453206.db2.gz UCKHNZFRNHBOAI-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1nnc[nH]1)c1nnnn1C ZINC001380768378 922453751 /nfs/dbraw/zinc/45/37/51/922453751.db2.gz APOFVVHDDGXLEF-SECBINFHSA-N 1 1 323.361 -1.958 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001380786861 922457651 /nfs/dbraw/zinc/45/76/51/922457651.db2.gz GJOFOGWQONMKDU-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001380786861 922457664 /nfs/dbraw/zinc/45/76/64/922457664.db2.gz GJOFOGWQONMKDU-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCOC1 ZINC001380811951 922460892 /nfs/dbraw/zinc/46/08/92/922460892.db2.gz YHLBAVRXKPEFGR-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1CC[C@@H]1CCOC1 ZINC001380811951 922460898 /nfs/dbraw/zinc/46/08/98/922460898.db2.gz YHLBAVRXKPEFGR-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001380842671 922463246 /nfs/dbraw/zinc/46/32/46/922463246.db2.gz JQDWGTRJKDNACV-SECBINFHSA-N 1 1 309.374 -1.137 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1COCCN1CCCO ZINC001380833742 922463363 /nfs/dbraw/zinc/46/33/63/922463363.db2.gz SIOJQXHGUOWWNX-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001380842673 922464535 /nfs/dbraw/zinc/46/45/35/922464535.db2.gz JQDWGTRJKDNACV-VIFPVBQESA-N 1 1 309.374 -1.137 20 0 DAADMO Cn1ncc(C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)c1N ZINC001380856930 922464577 /nfs/dbraw/zinc/46/45/77/922464577.db2.gz KYMRTJWMSHCBMH-UHFFFAOYSA-N 1 1 319.373 -1.032 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001380865781 922467161 /nfs/dbraw/zinc/46/71/61/922467161.db2.gz XCRNOBNNEJKAST-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO Cn1cnc(C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)n1 ZINC001380858453 922467452 /nfs/dbraw/zinc/46/74/52/922467452.db2.gz ROPFJNKIHGMZQD-UHFFFAOYSA-N 1 1 305.346 -1.219 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001380899622 922471681 /nfs/dbraw/zinc/47/16/81/922471681.db2.gz BBKALUGPJIAQNM-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001380904031 922471773 /nfs/dbraw/zinc/47/17/73/922471773.db2.gz OUBZSYDPWYSJAK-MFKMUULPSA-N 1 1 324.385 -1.343 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001380900640 922472558 /nfs/dbraw/zinc/47/25/58/922472558.db2.gz CHYAMLNRNNFTJS-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001380913772 922473362 /nfs/dbraw/zinc/47/33/62/922473362.db2.gz JSVQXLRIHNONBA-JTQLQIEISA-N 1 1 310.358 -1.320 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001380911326 922474969 /nfs/dbraw/zinc/47/49/69/922474969.db2.gz DQENQLSTIQWYEP-NSHDSACASA-N 1 1 324.385 -1.212 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380929003 922477288 /nfs/dbraw/zinc/47/72/88/922477288.db2.gz DHIGYDXAGOMYLF-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001380934030 922478614 /nfs/dbraw/zinc/47/86/14/922478614.db2.gz QSSZFRUGUXMVQX-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001380969794 922483169 /nfs/dbraw/zinc/48/31/69/922483169.db2.gz IXFSYNNDCSJACT-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ncc[nH]1 ZINC001380984966 922484097 /nfs/dbraw/zinc/48/40/97/922484097.db2.gz VZVFWSLSWJWWLK-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1ncn(C)c1=O)O2 ZINC001380997391 922487937 /nfs/dbraw/zinc/48/79/37/922487937.db2.gz DLMSJPGTFAHIGJ-LLVKDONJSA-N 1 1 309.370 -1.049 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001381013112 922489716 /nfs/dbraw/zinc/48/97/16/922489716.db2.gz DUMVIHFNRYJFDG-LLVKDONJSA-N 1 1 317.411 -1.095 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1)C1CCC1 ZINC001381013243 922490355 /nfs/dbraw/zinc/49/03/55/922490355.db2.gz PESVZSOSSJXIOG-LLVKDONJSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1)C1CCC1 ZINC001381013245 922491114 /nfs/dbraw/zinc/49/11/14/922491114.db2.gz PESVZSOSSJXIOG-NSHDSACASA-N 1 1 310.398 -1.085 20 0 DAADMO CCCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001381048888 922492964 /nfs/dbraw/zinc/49/29/64/922492964.db2.gz SOYDLBQIACWSKE-AWEZNQCLSA-N 1 1 324.385 -1.112 20 0 DAADMO C[N@H+](CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1)C1CCC1 ZINC001381039387 922493228 /nfs/dbraw/zinc/49/32/28/922493228.db2.gz AWEVCKGYGLDWMP-OAHLLOKOSA-N 1 1 312.414 -1.101 20 0 DAADMO C[N@@H+](CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1)C1CCC1 ZINC001381039387 922493236 /nfs/dbraw/zinc/49/32/36/922493236.db2.gz AWEVCKGYGLDWMP-OAHLLOKOSA-N 1 1 312.414 -1.101 20 0 DAADMO Cc1nc(CC(=O)NC2(C[NH2+][C@H](C)C(N)=O)CCOCC2)n[nH]1 ZINC001381061714 922496113 /nfs/dbraw/zinc/49/61/13/922496113.db2.gz PZVDJAYMMGXKIG-SECBINFHSA-N 1 1 324.385 -1.216 20 0 DAADMO CN1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001381076113 922497634 /nfs/dbraw/zinc/49/76/34/922497634.db2.gz CBLRQBJNLKCIIE-CHWSQXEVSA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001381076113 922497644 /nfs/dbraw/zinc/49/76/44/922497644.db2.gz CBLRQBJNLKCIIE-CHWSQXEVSA-N 1 1 310.398 -1.308 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001381096405 922498724 /nfs/dbraw/zinc/49/87/24/922498724.db2.gz KSZBOWKPUXZQCJ-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001381099826 922501903 /nfs/dbraw/zinc/50/19/03/922501903.db2.gz YXTOMSHEFWGWEH-GXSJLCMTSA-N 1 1 309.374 -1.319 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001381146236 922504406 /nfs/dbraw/zinc/50/44/06/922504406.db2.gz WYJJRANPTKNGKO-AWEZNQCLSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381183975 922509255 /nfs/dbraw/zinc/50/92/55/922509255.db2.gz BWSYTDCXFHCQCI-WDEREUQCSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCCO1 ZINC001381237660 922510357 /nfs/dbraw/zinc/51/03/57/922510357.db2.gz TYMMKKSTUVSWHF-NEPJUHHUSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(Cc1nc[nH]n1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001381256169 922514045 /nfs/dbraw/zinc/51/40/45/922514045.db2.gz JPHGLKDADRNTOM-JTQLQIEISA-N 1 1 322.369 -1.821 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cnn(C)c2)CC1 ZINC001381245903 922516374 /nfs/dbraw/zinc/51/63/74/922516374.db2.gz FKUPSUBSNAJCCO-LLVKDONJSA-N 1 1 323.397 -1.221 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001381297970 922517137 /nfs/dbraw/zinc/51/71/37/922517137.db2.gz QBKOIUFLBVIHCO-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001381297970 922517150 /nfs/dbraw/zinc/51/71/50/922517150.db2.gz QBKOIUFLBVIHCO-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H](C)C(=O)NC ZINC001381289969 922517265 /nfs/dbraw/zinc/51/72/65/922517265.db2.gz FDPKXICGXRBHHL-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001381294592 922517685 /nfs/dbraw/zinc/51/76/85/922517685.db2.gz FCSIINXHTPIFCY-RKDXNWHRSA-N 1 1 323.357 -1.076 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381364135 922522912 /nfs/dbraw/zinc/52/29/12/922522912.db2.gz PKJFXUGBLJQHBA-IUCAKERBSA-N 1 1 312.378 -1.488 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)[nH]1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381412429 922526030 /nfs/dbraw/zinc/52/60/30/922526030.db2.gz BBNVRIICAYVATF-YUMQZZPRSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381404276 922526132 /nfs/dbraw/zinc/52/61/32/922526132.db2.gz ROEARXBSKHACIR-IUCAKERBSA-N 1 1 318.403 -1.372 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001381406698 922526508 /nfs/dbraw/zinc/52/65/08/922526508.db2.gz WVNIEFKNEZGFHV-BDAKNGLRSA-N 1 1 323.357 -1.044 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001381404266 922527523 /nfs/dbraw/zinc/52/75/23/922527523.db2.gz ROEARXBSKHACIR-BDAKNGLRSA-N 1 1 318.403 -1.372 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001381403751 922528209 /nfs/dbraw/zinc/52/82/09/922528209.db2.gz UNNHTHRAFZXALC-VHSXEESVSA-N 1 1 323.401 -1.472 20 0 DAADMO C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381404270 922528550 /nfs/dbraw/zinc/52/85/50/922528550.db2.gz ROEARXBSKHACIR-DTWKUNHWSA-N 1 1 318.403 -1.372 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1CCCC1=O ZINC001381518980 922529435 /nfs/dbraw/zinc/52/94/35/922529435.db2.gz SIHBIICQJOEBJS-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001381493495 922529988 /nfs/dbraw/zinc/52/99/88/922529988.db2.gz MJMLTVCKLHPBDY-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001381493495 922529997 /nfs/dbraw/zinc/52/99/97/922529997.db2.gz MJMLTVCKLHPBDY-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001381495555 922531104 /nfs/dbraw/zinc/53/11/04/922531104.db2.gz QGXAWNUJPBASJI-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001381495555 922531118 /nfs/dbraw/zinc/53/11/18/922531118.db2.gz QGXAWNUJPBASJI-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001381519123 922531220 /nfs/dbraw/zinc/53/12/20/922531220.db2.gz NISSGVXBXCCGGW-QMMMGPOBSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001381519123 922531229 /nfs/dbraw/zinc/53/12/29/922531229.db2.gz NISSGVXBXCCGGW-QMMMGPOBSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CCN(C)S(C)(=O)=O ZINC001381489870 922532013 /nfs/dbraw/zinc/53/20/13/922532013.db2.gz HRNQAFAQPFWWSK-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001381489870 922532025 /nfs/dbraw/zinc/53/20/25/922532025.db2.gz HRNQAFAQPFWWSK-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502730 922532327 /nfs/dbraw/zinc/53/23/27/922532327.db2.gz ADAGQOFONNKJAN-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502730 922532336 /nfs/dbraw/zinc/53/23/36/922532336.db2.gz ADAGQOFONNKJAN-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001381570514 922534346 /nfs/dbraw/zinc/53/43/46/922534346.db2.gz YWXMRUDMLVGTHQ-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001381528652 922534384 /nfs/dbraw/zinc/53/43/84/922534384.db2.gz ACEMDJWVLFDCIJ-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001381528652 922534398 /nfs/dbraw/zinc/53/43/98/922534398.db2.gz ACEMDJWVLFDCIJ-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CCCS(C)(=O)=O ZINC001381535407 922535115 /nfs/dbraw/zinc/53/51/15/922535115.db2.gz QAJDVVYKBGKAGZ-JTQLQIEISA-N 1 1 322.431 -1.213 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCCS(C)(=O)=O ZINC001381535407 922535123 /nfs/dbraw/zinc/53/51/23/922535123.db2.gz QAJDVVYKBGKAGZ-JTQLQIEISA-N 1 1 322.431 -1.213 20 0 DAADMO CC(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001381560668 922535164 /nfs/dbraw/zinc/53/51/64/922535164.db2.gz XJRTXZFONPDPLF-QWRGUYRKSA-N 1 1 319.427 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CCCS(C)(=O)=O ZINC001381535408 922535945 /nfs/dbraw/zinc/53/59/45/922535945.db2.gz QAJDVVYKBGKAGZ-SNVBAGLBSA-N 1 1 322.431 -1.213 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCCS(C)(=O)=O ZINC001381535408 922535957 /nfs/dbraw/zinc/53/59/57/922535957.db2.gz QAJDVVYKBGKAGZ-SNVBAGLBSA-N 1 1 322.431 -1.213 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCN1CCCC1=O ZINC001381572507 922536036 /nfs/dbraw/zinc/53/60/36/922536036.db2.gz KEZQWTFQTNINPB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001381587260 922538645 /nfs/dbraw/zinc/53/86/45/922538645.db2.gz ASRZFWYJUNMOJZ-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001381587260 922538657 /nfs/dbraw/zinc/53/86/57/922538657.db2.gz ASRZFWYJUNMOJZ-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[N@H+](C)CC(N)=O ZINC001381591979 922538841 /nfs/dbraw/zinc/53/88/41/922538841.db2.gz KKOJWCBEILMCJQ-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)[N@@H+](C)CC(N)=O ZINC001381591979 922538851 /nfs/dbraw/zinc/53/88/51/922538851.db2.gz KKOJWCBEILMCJQ-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)[N@H+](C)CCNS(C)(=O)=O ZINC001381606769 922539226 /nfs/dbraw/zinc/53/92/26/922539226.db2.gz SKBGDUZCTFSQRM-VIFPVBQESA-N 1 1 318.403 -1.667 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001381606769 922539233 /nfs/dbraw/zinc/53/92/33/922539233.db2.gz SKBGDUZCTFSQRM-VIFPVBQESA-N 1 1 318.403 -1.667 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001381620355 922539412 /nfs/dbraw/zinc/53/94/12/922539412.db2.gz HABPLMSDHRUGBR-QMMMGPOBSA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001381620355 922539430 /nfs/dbraw/zinc/53/94/30/922539430.db2.gz HABPLMSDHRUGBR-QMMMGPOBSA-N 1 1 310.358 -1.108 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001381609293 922539917 /nfs/dbraw/zinc/53/99/17/922539917.db2.gz YFXMDVZYHBMEEG-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001381609293 922539937 /nfs/dbraw/zinc/53/99/37/922539937.db2.gz YFXMDVZYHBMEEG-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)c(=O)n1 ZINC001381598663 922540476 /nfs/dbraw/zinc/54/04/76/922540476.db2.gz KZZOAGGQNZDBIE-LLVKDONJSA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)c(=O)n1 ZINC001381598663 922540491 /nfs/dbraw/zinc/54/04/91/922540491.db2.gz KZZOAGGQNZDBIE-LLVKDONJSA-N 1 1 309.370 -1.218 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001381580782 922540560 /nfs/dbraw/zinc/54/05/60/922540560.db2.gz ZURVGWXVCOUJPO-QMMMGPOBSA-N 1 1 319.387 -1.246 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381643859 922541457 /nfs/dbraw/zinc/54/14/57/922541457.db2.gz KQDKWBIOAPDIIQ-MNOVXSKESA-N 1 1 314.386 -1.219 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)CCc2cnc[nH]2)C1 ZINC001381662757 922544547 /nfs/dbraw/zinc/54/45/47/922544547.db2.gz KXLVVTRTCVVQED-SNVBAGLBSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001381659465 922545133 /nfs/dbraw/zinc/54/51/33/922545133.db2.gz GJBRLORBYWSMRK-UHFFFAOYSA-N 1 1 312.414 -1.230 20 0 DAADMO CCCC[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001381752983 922550278 /nfs/dbraw/zinc/55/02/78/922550278.db2.gz UHMFQGALDJUHEW-VHSXEESVSA-N 1 1 324.389 -1.344 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001381702756 922551397 /nfs/dbraw/zinc/55/13/97/922551397.db2.gz YLILOKSIEYVOJQ-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001381693973 922551773 /nfs/dbraw/zinc/55/17/73/922551773.db2.gz ZJHMBFGVTOMQPM-MNOVXSKESA-N 1 1 312.370 -1.743 20 0 DAADMO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC001381772845 922553902 /nfs/dbraw/zinc/55/39/02/922553902.db2.gz IZABUYDGSFXCHN-SKDRFNHKSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC001381772840 922553931 /nfs/dbraw/zinc/55/39/31/922553931.db2.gz IZABUYDGSFXCHN-CABZTGNLSA-N 1 1 320.411 -1.525 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381789803 922554236 /nfs/dbraw/zinc/55/42/36/922554236.db2.gz JQZJAGUWQWKZFG-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381779642 922554561 /nfs/dbraw/zinc/55/45/61/922554561.db2.gz SOVYAOWBEXTIQE-BDAKNGLRSA-N 1 1 320.415 -1.812 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001381776789 922554727 /nfs/dbraw/zinc/55/47/27/922554727.db2.gz LSAMGVLPANQLSF-JTQLQIEISA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001381838034 922557508 /nfs/dbraw/zinc/55/75/08/922557508.db2.gz INJYGIGLHYPVMG-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](NC(=O)Cn1cncn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001381817655 922557743 /nfs/dbraw/zinc/55/77/43/922557743.db2.gz JGQITVCVGYVILY-JTQLQIEISA-N 1 1 306.370 -1.007 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)[C@H](C)NC(N)=O)C(C)(C)C1 ZINC001381849676 922559983 /nfs/dbraw/zinc/55/99/83/922559983.db2.gz RNHPXLINKKTNIP-AXFHLTTASA-N 1 1 316.402 -1.123 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)(C)C1 ZINC001381849681 922560290 /nfs/dbraw/zinc/56/02/90/922560290.db2.gz RNHPXLINKKTNIP-HBNTYKKESA-N 1 1 316.402 -1.123 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001381872842 922560429 /nfs/dbraw/zinc/56/04/29/922560429.db2.gz RKWGBAQTPBRNOM-FVCCEPFGSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[N@@H+](C[C@H](O)COC)CC1(C)C ZINC001381857349 922561879 /nfs/dbraw/zinc/56/18/79/922561879.db2.gz ZLNGBKWCHKEXNM-QWRGUYRKSA-N 1 1 316.402 -1.251 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001381903250 922563699 /nfs/dbraw/zinc/56/36/99/922563699.db2.gz FOQDZOMMYGOSOE-DBIOUOCHSA-N 1 1 305.400 -1.790 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001381895446 922564602 /nfs/dbraw/zinc/56/46/02/922564602.db2.gz YFMOSTOQYRGFTG-HKWIRBFKSA-N 1 1 308.382 -1.320 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cncn4)[C@@H]3C2)nn1 ZINC001381916972 922566228 /nfs/dbraw/zinc/56/62/28/922566228.db2.gz IAWGQDYHFHYLJQ-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cncn4)[C@@H]3C2)nn1 ZINC001381916972 922566242 /nfs/dbraw/zinc/56/62/42/922566242.db2.gz IAWGQDYHFHYLJQ-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001381921800 922566320 /nfs/dbraw/zinc/56/63/20/922566320.db2.gz CZMLZORSRXWECC-ONGXEEELSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001381921800 922566333 /nfs/dbraw/zinc/56/63/33/922566333.db2.gz CZMLZORSRXWECC-ONGXEEELSA-N 1 1 310.358 -1.572 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncccn3)[C@@H]2C1 ZINC001381906821 922566376 /nfs/dbraw/zinc/56/63/76/922566376.db2.gz BEEIFAROEHJGLJ-OWUUHHOZSA-N 1 1 318.337 -1.421 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001381916761 922566516 /nfs/dbraw/zinc/56/65/16/922566516.db2.gz RQBNKWSVRROJSJ-KKOKHZNYSA-N 1 1 309.370 -1.270 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cnn(C)n2)C1 ZINC001381928816 922566544 /nfs/dbraw/zinc/56/65/44/922566544.db2.gz TWMVLLYYXBQBNP-GWCFXTLKSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928334 922566955 /nfs/dbraw/zinc/56/69/55/922566955.db2.gz KWOQEWZNGWMMSO-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928334 922566965 /nfs/dbraw/zinc/56/69/65/922566965.db2.gz KWOQEWZNGWMMSO-GXSJLCMTSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001381933027 922568920 /nfs/dbraw/zinc/56/89/20/922568920.db2.gz MORJRPSTIFLWLQ-FIQHERPVSA-N 1 1 324.381 -1.397 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001381933045 922569646 /nfs/dbraw/zinc/56/96/46/922569646.db2.gz MORJRPSTIFLWLQ-KKOKHZNYSA-N 1 1 324.381 -1.397 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001381978723 922574560 /nfs/dbraw/zinc/57/45/60/922574560.db2.gz DSACHZTWXBCRID-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001381994247 922574909 /nfs/dbraw/zinc/57/49/09/922574909.db2.gz LTFJNXOEJNFGAU-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001381995522 922574937 /nfs/dbraw/zinc/57/49/37/922574937.db2.gz QKPJHDQQQXWKKU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001381985625 922575194 /nfs/dbraw/zinc/57/51/94/922575194.db2.gz UHOJWXOKIATVMM-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001381984533 922575422 /nfs/dbraw/zinc/57/54/22/922575422.db2.gz OTDIAMAXYMGIQQ-CMPLNLGQSA-N 1 1 316.402 -1.027 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001381984354 922575520 /nfs/dbraw/zinc/57/55/20/922575520.db2.gz DQXFNCPOHPZCAQ-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1cnnn1 ZINC001382003267 922576953 /nfs/dbraw/zinc/57/69/53/922576953.db2.gz GJCAHLGDBQGMDH-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1nnnn1C ZINC001382053359 922578544 /nfs/dbraw/zinc/57/85/44/922578544.db2.gz DPLYABLBBVQSAX-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C)n1cncn1 ZINC001382053358 922579090 /nfs/dbraw/zinc/57/90/90/922579090.db2.gz DPLYABLBBVQSAX-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001382107499 922583848 /nfs/dbraw/zinc/58/38/48/922583848.db2.gz NKVAJSFLFUOJIP-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001382107497 922584025 /nfs/dbraw/zinc/58/40/25/922584025.db2.gz NKVAJSFLFUOJIP-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001382086072 922584606 /nfs/dbraw/zinc/58/46/06/922584606.db2.gz ONTXZFJXUHVLHZ-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1cnc[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001382087025 922584653 /nfs/dbraw/zinc/58/46/53/922584653.db2.gz TXPGEVVBTTVUOH-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001382123276 922585224 /nfs/dbraw/zinc/58/52/24/922585224.db2.gz OEQVUTZFGIMDMJ-ADEWGFFLSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1nncn1C ZINC001382135261 922587228 /nfs/dbraw/zinc/58/72/28/922587228.db2.gz DOMVEIIDPULHRM-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1nncn1C ZINC001382135255 922588168 /nfs/dbraw/zinc/58/81/68/922588168.db2.gz DOMVEIIDPULHRM-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001382155617 922591596 /nfs/dbraw/zinc/59/15/96/922591596.db2.gz TXHIESSSXZMMRX-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001382164255 922592084 /nfs/dbraw/zinc/59/20/84/922592084.db2.gz FCKQVFZRPOUKLB-VXGBXAGGSA-N 1 1 309.370 -1.080 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)c1 ZINC001382176346 922593316 /nfs/dbraw/zinc/59/33/16/922593316.db2.gz QKSAFYGRBVRZQH-LBPRGKRZSA-N 1 1 310.354 -1.207 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001382182411 922598389 /nfs/dbraw/zinc/59/83/89/922598389.db2.gz JZIXVYSUNYEUBQ-MRVPVSSYSA-N 1 1 301.372 -1.369 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001382180090 922598533 /nfs/dbraw/zinc/59/85/33/922598533.db2.gz MBQLNAYVQCSBOO-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c1)N1CCNC(=O)C1 ZINC001382188430 922600964 /nfs/dbraw/zinc/60/09/64/922600964.db2.gz QIUYUCQXIPRBMS-SNVBAGLBSA-N 1 1 324.341 -2.952 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001382196879 922606872 /nfs/dbraw/zinc/60/68/72/922606872.db2.gz UPRVGHLRRYBMOY-NEPJUHHUSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001382196879 922606889 /nfs/dbraw/zinc/60/68/89/922606889.db2.gz UPRVGHLRRYBMOY-NEPJUHHUSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001382196882 922607728 /nfs/dbraw/zinc/60/77/28/922607728.db2.gz UPRVGHLRRYBMOY-NWDGAFQWSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001382196882 922607736 /nfs/dbraw/zinc/60/77/36/922607736.db2.gz UPRVGHLRRYBMOY-NWDGAFQWSA-N 1 1 309.370 -1.626 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)o1 ZINC001382205098 922613777 /nfs/dbraw/zinc/61/37/77/922613777.db2.gz QVHBPPSNEQJAJY-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O)c1ncccc1O ZINC001382203076 922614546 /nfs/dbraw/zinc/61/45/46/922614546.db2.gz ZCMWTTMYCZQABL-VHSXEESVSA-N 1 1 308.338 -1.254 20 0 DAADMO CC[C@H](C(=O)NC[C@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001382218923 922625106 /nfs/dbraw/zinc/62/51/06/922625106.db2.gz UXJBVHUSHSRRIF-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001382216235 922625416 /nfs/dbraw/zinc/62/54/16/922625416.db2.gz RMTSXGSRSUKQJA-GHMZBOCLSA-N 1 1 300.403 -1.328 20 0 DAADMO CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216235 922625422 /nfs/dbraw/zinc/62/54/22/922625422.db2.gz RMTSXGSRSUKQJA-GHMZBOCLSA-N 1 1 300.403 -1.328 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001382217711 922626472 /nfs/dbraw/zinc/62/64/72/922626472.db2.gz XDKGBUYMNYZRET-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001382226589 922628599 /nfs/dbraw/zinc/62/85/99/922628599.db2.gz HWVDYSNVZZJZBC-RKDXNWHRSA-N 1 1 307.372 -2.637 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001382228582 922631245 /nfs/dbraw/zinc/63/12/45/922631245.db2.gz BMFCEJJSFVGOKX-RYUDHWBXSA-N 1 1 323.397 -1.097 20 0 DAADMO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC)C1 ZINC001382238602 922634188 /nfs/dbraw/zinc/63/41/88/922634188.db2.gz OCWFQKHQTIIIAO-STQMWFEESA-N 1 1 314.430 -1.079 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC)C1 ZINC001382238602 922634196 /nfs/dbraw/zinc/63/41/96/922634196.db2.gz OCWFQKHQTIIIAO-STQMWFEESA-N 1 1 314.430 -1.079 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001382238231 922635727 /nfs/dbraw/zinc/63/57/27/922635727.db2.gz FFHJJTZZXIDQJD-IUCAKERBSA-N 1 1 300.363 -1.583 20 0 DAADMO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC)C1 ZINC001382238594 922635831 /nfs/dbraw/zinc/63/58/31/922635831.db2.gz OCWFQKHQTIIIAO-QWHCGFSZSA-N 1 1 314.430 -1.079 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC)C1 ZINC001382238594 922635838 /nfs/dbraw/zinc/63/58/38/922635838.db2.gz OCWFQKHQTIIIAO-QWHCGFSZSA-N 1 1 314.430 -1.079 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)NC1=O ZINC001382245143 922638733 /nfs/dbraw/zinc/63/87/33/922638733.db2.gz MLOFRVUPKDOTQC-SCZZXKLOSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CCn2cnnn2)on1 ZINC001382250336 922640411 /nfs/dbraw/zinc/64/04/11/922640411.db2.gz FGWOVPSJDXBUEH-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cccc(=O)n2C)n1 ZINC001382248269 922641687 /nfs/dbraw/zinc/64/16/87/922641687.db2.gz LBIRJMQKMKPLMI-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CCn2cnnn2)on1 ZINC001382250334 922641714 /nfs/dbraw/zinc/64/17/14/922641714.db2.gz FGWOVPSJDXBUEH-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)CCn1cnnn1)c1cnccn1 ZINC001382256432 922643128 /nfs/dbraw/zinc/64/31/28/922643128.db2.gz UAVWKPIPMYRYFE-QWRGUYRKSA-N 1 1 320.357 -1.319 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCn1cnnn1)c1cnccn1 ZINC001382256425 922643586 /nfs/dbraw/zinc/64/35/86/922643586.db2.gz UAVWKPIPMYRYFE-GHMZBOCLSA-N 1 1 320.357 -1.319 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)on1 ZINC001382254822 922644880 /nfs/dbraw/zinc/64/48/80/922644880.db2.gz ZXXQEAHLFBMNQX-KOLCDFICSA-N 1 1 311.342 -1.427 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2nncn2C)C1 ZINC001382256525 922647301 /nfs/dbraw/zinc/64/73/01/922647301.db2.gz VTSWBFYMIFRDNA-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2nncn2C)C1 ZINC001382256523 922648249 /nfs/dbraw/zinc/64/82/49/922648249.db2.gz VTSWBFYMIFRDNA-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001382259647 922649418 /nfs/dbraw/zinc/64/94/18/922649418.db2.gz UAVFGBWZJQJPGK-JTQLQIEISA-N 1 1 321.341 -1.587 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382266704 922650887 /nfs/dbraw/zinc/65/08/87/922650887.db2.gz MGOODYQIENMHPF-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382266704 922650895 /nfs/dbraw/zinc/65/08/95/922650895.db2.gz MGOODYQIENMHPF-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001382263064 922652384 /nfs/dbraw/zinc/65/23/84/922652384.db2.gz DHEHPHCCVTYSGA-GFCCVEGCSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270825 922656277 /nfs/dbraw/zinc/65/62/77/922656277.db2.gz CSYOLPQUSPDGTL-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccncc2)C1 ZINC001382270825 922656289 /nfs/dbraw/zinc/65/62/89/922656289.db2.gz CSYOLPQUSPDGTL-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382269727 922656447 /nfs/dbraw/zinc/65/64/47/922656447.db2.gz ASLYEADLYJGWIR-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273623 922658576 /nfs/dbraw/zinc/65/85/76/922658576.db2.gz LRXSJPFGTPOAAU-RYUDHWBXSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273623 922658589 /nfs/dbraw/zinc/65/85/89/922658589.db2.gz LRXSJPFGTPOAAU-RYUDHWBXSA-N 1 1 314.430 -1.081 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382275442 922662807 /nfs/dbraw/zinc/66/28/07/922662807.db2.gz SYTOIRGZQWQVFP-NWDGAFQWSA-N 1 1 300.403 -1.517 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382275442 922662816 /nfs/dbraw/zinc/66/28/16/922662816.db2.gz SYTOIRGZQWQVFP-NWDGAFQWSA-N 1 1 300.403 -1.517 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(F)F)C1 ZINC001382276529 922663155 /nfs/dbraw/zinc/66/31/55/922663155.db2.gz SAAXNMJKNYLYMJ-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(F)F)C1 ZINC001382276529 922663166 /nfs/dbraw/zinc/66/31/66/922663166.db2.gz SAAXNMJKNYLYMJ-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)nn1 ZINC001382282464 922665762 /nfs/dbraw/zinc/66/57/62/922665762.db2.gz JRDLKEULIKSQGO-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CNC(=O)C1CC1 ZINC001382301448 922674290 /nfs/dbraw/zinc/67/42/90/922674290.db2.gz KNTSEYZVVYAVPA-GXSJLCMTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CNC(=O)C1CC1 ZINC001382301451 922674594 /nfs/dbraw/zinc/67/45/94/922674594.db2.gz KNTSEYZVVYAVPA-ONGXEEELSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001382312302 922680845 /nfs/dbraw/zinc/68/08/45/922680845.db2.gz PSYDSAQGOLIAQN-JQWIXIFHSA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cncn1 ZINC001382316738 922681072 /nfs/dbraw/zinc/68/10/72/922681072.db2.gz NXZXUPUTNZLLCQ-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CCNC(N)=O ZINC001382321566 922683187 /nfs/dbraw/zinc/68/31/87/922683187.db2.gz ZANLEHYUWBRTTL-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382370774 922699961 /nfs/dbraw/zinc/69/99/61/922699961.db2.gz SPMAKELTSTYOQL-QWRGUYRKSA-N 1 1 314.386 -1.942 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001382373517 922700050 /nfs/dbraw/zinc/70/00/50/922700050.db2.gz AMXXEYPXSBEXSK-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001382373517 922700058 /nfs/dbraw/zinc/70/00/58/922700058.db2.gz AMXXEYPXSBEXSK-CHWSQXEVSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370439 922700400 /nfs/dbraw/zinc/70/04/00/922700400.db2.gz KLYLORJROBNCLW-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370439 922700406 /nfs/dbraw/zinc/70/04/06/922700406.db2.gz KLYLORJROBNCLW-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001382371472 922700455 /nfs/dbraw/zinc/70/04/55/922700455.db2.gz QNUKGHQCBQCXHP-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369579 922701072 /nfs/dbraw/zinc/70/10/72/922701072.db2.gz GHISMTROUGGRHW-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369579 922701084 /nfs/dbraw/zinc/70/10/84/922701084.db2.gz GHISMTROUGGRHW-GHMZBOCLSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382370483 922701374 /nfs/dbraw/zinc/70/13/74/922701374.db2.gz DKNXTLGEAYZIRN-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382369426 922701947 /nfs/dbraw/zinc/70/19/47/922701947.db2.gz AIDLHLBYDSVQEA-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369582 922702304 /nfs/dbraw/zinc/70/23/04/922702304.db2.gz GHISMTROUGGRHW-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369582 922702321 /nfs/dbraw/zinc/70/23/21/922702321.db2.gz GHISMTROUGGRHW-WDEREUQCSA-N 1 1 317.386 -1.929 20 0 DAADMO Cc1ncoc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001382381152 922706513 /nfs/dbraw/zinc/70/65/13/922706513.db2.gz HUWXCARBIZBJNZ-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ccnn1C ZINC001382382374 922707850 /nfs/dbraw/zinc/70/78/50/922707850.db2.gz BFRPFDLFNCESQV-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001382387019 922710053 /nfs/dbraw/zinc/71/00/53/922710053.db2.gz JYUUNADTAMYKKV-JTQLQIEISA-N 1 1 312.374 -1.750 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCNC2=O)n[nH]1 ZINC001382385256 922710155 /nfs/dbraw/zinc/71/01/55/922710155.db2.gz HAVNIUJUJRFYCT-MNOVXSKESA-N 1 1 309.370 -1.117 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001382385380 922710325 /nfs/dbraw/zinc/71/03/25/922710325.db2.gz BFGHYYANTIKJGZ-VHSXEESVSA-N 1 1 300.363 -1.284 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001382387243 922711007 /nfs/dbraw/zinc/71/10/07/922711007.db2.gz DDFZZLDBBHWYHB-SCZZXKLOSA-N 1 1 315.399 -1.028 20 0 DAADMO CCc1nc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001382385953 922711035 /nfs/dbraw/zinc/71/10/35/922711035.db2.gz LRFMPYLTMPBRBX-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)c[nH]1 ZINC001382386925 922711234 /nfs/dbraw/zinc/71/12/34/922711234.db2.gz JIWMXVNLEXBBCD-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnn(C)c1 ZINC001382390868 922712540 /nfs/dbraw/zinc/71/25/40/922712540.db2.gz RCKHVVZZHSYARC-GFCCVEGCSA-N 1 1 321.385 -1.300 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001382388442 922712560 /nfs/dbraw/zinc/71/25/60/922712560.db2.gz MTKRMMCXICPIIU-NSHDSACASA-N 1 1 312.374 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001382395105 922716827 /nfs/dbraw/zinc/71/68/27/922716827.db2.gz UDISEPGVPSTEIT-SFYZADRCSA-N 1 1 313.318 -2.773 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)C1CC1 ZINC001382393745 922717207 /nfs/dbraw/zinc/71/72/07/922717207.db2.gz OGZJMLLOZOVJBP-ZYHUDNBSSA-N 1 1 312.374 -1.456 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)NC1 ZINC001382401257 922724417 /nfs/dbraw/zinc/72/44/17/922724417.db2.gz MXRXROMJIDWDKV-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001382408125 922725394 /nfs/dbraw/zinc/72/53/94/922725394.db2.gz YNOGIVRACYTICH-VHSXEESVSA-N 1 1 317.390 -2.023 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001382413111 922731612 /nfs/dbraw/zinc/73/16/12/922731612.db2.gz DVAKKWVBPWADQB-VHSXEESVSA-N 1 1 312.374 -1.765 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001382417499 922737542 /nfs/dbraw/zinc/73/75/42/922737542.db2.gz MRDJZUNKSCLKQE-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001382418241 922738068 /nfs/dbraw/zinc/73/80/68/922738068.db2.gz HTPIWTKFOSEVLN-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@]1(C)CCOC1 ZINC001382422247 922740435 /nfs/dbraw/zinc/74/04/35/922740435.db2.gz BLXCVIAJTXRCRW-GWCFXTLKSA-N 1 1 312.374 -1.454 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382423557 922741153 /nfs/dbraw/zinc/74/11/53/922741153.db2.gz XOFLLNSTSWZHPZ-JTQLQIEISA-N 1 1 312.374 -1.386 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2cnnn2)[nH]1 ZINC001382422086 922742258 /nfs/dbraw/zinc/74/22/58/922742258.db2.gz AISXEDGLWKIRGB-JTQLQIEISA-N 1 1 323.361 -1.901 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccnnc1)c1nnnn1C ZINC001382426806 922745779 /nfs/dbraw/zinc/74/57/79/922745779.db2.gz TXCJQTSUFVZMJM-KOLCDFICSA-N 1 1 320.357 -1.216 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CCC1 ZINC001382428249 922746050 /nfs/dbraw/zinc/74/60/50/922746050.db2.gz DWRGEKPVGKIUJC-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CCC1 ZINC001382428249 922746059 /nfs/dbraw/zinc/74/60/59/922746059.db2.gz DWRGEKPVGKIUJC-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNCc1nnn(C)n1 ZINC001382439074 922751022 /nfs/dbraw/zinc/75/10/22/922751022.db2.gz FJFPRLWHEPTTQS-LLVKDONJSA-N 1 1 322.373 -1.676 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC001382442493 922754173 /nfs/dbraw/zinc/75/41/73/922754173.db2.gz RNLFPNZDQKOXML-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O ZINC001382442487 922754966 /nfs/dbraw/zinc/75/49/66/922754966.db2.gz RNLFPNZDQKOXML-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382440920 922756038 /nfs/dbraw/zinc/75/60/38/922756038.db2.gz PCNLUWJBSBMZTM-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1nccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382441038 922756237 /nfs/dbraw/zinc/75/62/37/922756237.db2.gz QAVKSUVIYQUYEE-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001382445971 922757796 /nfs/dbraw/zinc/75/77/96/922757796.db2.gz LCQRXMMUGACGAA-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001382445971 922757806 /nfs/dbraw/zinc/75/78/06/922757806.db2.gz LCQRXMMUGACGAA-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001382448052 922758289 /nfs/dbraw/zinc/75/82/89/922758289.db2.gz URVNRHOVFNCVIK-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001382448052 922758297 /nfs/dbraw/zinc/75/82/97/922758297.db2.gz URVNRHOVFNCVIK-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001382444943 922758500 /nfs/dbraw/zinc/75/85/00/922758500.db2.gz YKJBQZATOHUBAI-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382445683 922758564 /nfs/dbraw/zinc/75/85/64/922758564.db2.gz JZHSQHDNJVRCFA-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382445683 922758578 /nfs/dbraw/zinc/75/85/78/922758578.db2.gz JZHSQHDNJVRCFA-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001382444918 922758605 /nfs/dbraw/zinc/75/86/05/922758605.db2.gz YKJBQZATOHUBAI-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO CN(C[C@@H](O)CNCc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382444908 922759243 /nfs/dbraw/zinc/75/92/43/922759243.db2.gz POGFGDJYENUZOE-YPMHNXCESA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)CNCc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382444908 922759256 /nfs/dbraw/zinc/75/92/56/922759256.db2.gz POGFGDJYENUZOE-YPMHNXCESA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001382445529 922759341 /nfs/dbraw/zinc/75/93/41/922759341.db2.gz YGWJWICWFGWVND-GXSJLCMTSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001382446729 922759472 /nfs/dbraw/zinc/75/94/72/922759472.db2.gz SOTZHHSCZJKOMQ-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)CS(C)(=O)=O ZINC001382447738 922760144 /nfs/dbraw/zinc/76/01/44/922760144.db2.gz SJINFXWGMBDUNR-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC1(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001382444196 922760416 /nfs/dbraw/zinc/76/04/16/922760416.db2.gz VZMFVJKFZHCBSJ-VXGBXAGGSA-N 1 1 313.398 -1.042 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382450708 922761359 /nfs/dbraw/zinc/76/13/59/922761359.db2.gz NRGWNELFOJQNHN-IUCAKERBSA-N 1 1 320.415 -1.316 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382450708 922761378 /nfs/dbraw/zinc/76/13/78/922761378.db2.gz NRGWNELFOJQNHN-IUCAKERBSA-N 1 1 320.415 -1.316 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001382450379 922761554 /nfs/dbraw/zinc/76/15/54/922761554.db2.gz DLNSWYDUTQANJK-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001382450379 922761569 /nfs/dbraw/zinc/76/15/69/922761569.db2.gz DLNSWYDUTQANJK-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCOCC1 ZINC001382450544 922761647 /nfs/dbraw/zinc/76/16/47/922761647.db2.gz FWFZIJRLLKQCHC-CYBMUJFWSA-N 1 1 303.403 -1.548 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001382450976 922762906 /nfs/dbraw/zinc/76/29/06/922762906.db2.gz NQTOIETYTOWVGZ-JTQLQIEISA-N 1 1 302.375 -1.990 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001382450976 922762920 /nfs/dbraw/zinc/76/29/20/922762920.db2.gz NQTOIETYTOWVGZ-JTQLQIEISA-N 1 1 302.375 -1.990 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001382448830 922762979 /nfs/dbraw/zinc/76/29/79/922762979.db2.gz YDLCCRXHVGVLOC-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001382448830 922762990 /nfs/dbraw/zinc/76/29/90/922762990.db2.gz YDLCCRXHVGVLOC-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001382453337 922764036 /nfs/dbraw/zinc/76/40/36/922764036.db2.gz FBTSIQXQZBYWSP-ZOWXZIJZSA-N 1 1 322.365 -1.179 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001382459110 922765910 /nfs/dbraw/zinc/76/59/10/922765910.db2.gz FZUOZSQBMOXJRK-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001382459110 922765917 /nfs/dbraw/zinc/76/59/17/922765917.db2.gz FZUOZSQBMOXJRK-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382460442 922765946 /nfs/dbraw/zinc/76/59/46/922765946.db2.gz IEQGYQWYTVPSTF-FRRDWIJNSA-N 1 1 314.430 -1.176 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001382459112 922766668 /nfs/dbraw/zinc/76/66/68/922766668.db2.gz FZUOZSQBMOXJRK-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001382459112 922766679 /nfs/dbraw/zinc/76/66/79/922766679.db2.gz FZUOZSQBMOXJRK-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nccn2C1 ZINC001382464559 922768134 /nfs/dbraw/zinc/76/81/34/922768134.db2.gz BNPYIYRYFQSOMX-VXGBXAGGSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nccn2C1 ZINC001382464559 922768146 /nfs/dbraw/zinc/76/81/46/922768146.db2.gz BNPYIYRYFQSOMX-VXGBXAGGSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc2nnnn2c1 ZINC001382462314 922768471 /nfs/dbraw/zinc/76/84/71/922768471.db2.gz OXOWWLIAOISALT-GFCCVEGCSA-N 1 1 322.369 -1.129 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)Cn1ncnn1 ZINC001382466744 922768524 /nfs/dbraw/zinc/76/85/24/922768524.db2.gz UHEDZWOCCQJHFA-VXGBXAGGSA-N 1 1 312.374 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001382466650 922768674 /nfs/dbraw/zinc/76/86/74/922768674.db2.gz CIJFEKHDBZIQJE-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001382465882 922770200 /nfs/dbraw/zinc/77/02/00/922770200.db2.gz RTCLKOHCVXWYDP-MNOVXSKESA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001382464564 922771295 /nfs/dbraw/zinc/77/12/95/922771295.db2.gz BPHDIXBFYFVBJN-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001382464564 922771303 /nfs/dbraw/zinc/77/13/03/922771303.db2.gz BPHDIXBFYFVBJN-NSHDSACASA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001382464562 922771416 /nfs/dbraw/zinc/77/14/16/922771416.db2.gz BPHDIXBFYFVBJN-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001382464562 922771429 /nfs/dbraw/zinc/77/14/29/922771429.db2.gz BPHDIXBFYFVBJN-LLVKDONJSA-N 1 1 311.386 -1.127 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc2ncccn2n1 ZINC001382468082 922772275 /nfs/dbraw/zinc/77/22/75/922772275.db2.gz FOPWHPXDSQJRJT-MNOVXSKESA-N 1 1 322.369 -1.130 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ncc[nH]1 ZINC001382473140 922772869 /nfs/dbraw/zinc/77/28/69/922772869.db2.gz NEPSEMBOXNNRQE-VXGBXAGGSA-N 1 1 323.397 -1.066 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001382473446 922772982 /nfs/dbraw/zinc/77/29/82/922772982.db2.gz UZEFMERGWTVZKL-ZWNOBZJWSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001382473446 922772986 /nfs/dbraw/zinc/77/29/86/922772986.db2.gz UZEFMERGWTVZKL-ZWNOBZJWSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001382473443 922773433 /nfs/dbraw/zinc/77/34/33/922773433.db2.gz UZEFMERGWTVZKL-MFKMUULPSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001382473443 922773447 /nfs/dbraw/zinc/77/34/47/922773447.db2.gz UZEFMERGWTVZKL-MFKMUULPSA-N 1 1 305.350 -1.388 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001382468708 922773632 /nfs/dbraw/zinc/77/36/32/922773632.db2.gz XDYNOACJDDRBQJ-PWSUYJOCSA-N 1 1 324.385 -1.590 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001382466826 922774058 /nfs/dbraw/zinc/77/40/58/922774058.db2.gz UIWQCNIIUYXWPZ-VHSXEESVSA-N 1 1 311.346 -2.687 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001382471449 922774117 /nfs/dbraw/zinc/77/41/17/922774117.db2.gz HXQQUAXADCTOEE-VXGBXAGGSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001382468710 922774710 /nfs/dbraw/zinc/77/47/10/922774710.db2.gz XDYNOACJDDRBQJ-ZYHUDNBSSA-N 1 1 324.385 -1.590 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382468301 922774924 /nfs/dbraw/zinc/77/49/24/922774924.db2.gz XKJPAUZSFKXQMU-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001382473311 922774990 /nfs/dbraw/zinc/77/49/90/922774990.db2.gz VPZFLTJULOOUJZ-OLZOCXBDSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001382475823 922775953 /nfs/dbraw/zinc/77/59/53/922775953.db2.gz UPKKISZCPGDSJS-MNOVXSKESA-N 1 1 307.354 -1.270 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cnnn1C ZINC001382475896 922776844 /nfs/dbraw/zinc/77/68/44/922776844.db2.gz BRWUDNGJHIYHKU-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2cncn2C1 ZINC001382477680 922778295 /nfs/dbraw/zinc/77/82/95/922778295.db2.gz WVIDSIRHFBSHEN-DGCLKSJQSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2cncn2C1 ZINC001382477680 922778309 /nfs/dbraw/zinc/77/83/09/922778309.db2.gz WVIDSIRHFBSHEN-DGCLKSJQSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1nc2ncccn2n1 ZINC001382474342 922778456 /nfs/dbraw/zinc/77/84/56/922778456.db2.gz UNCAILDFLCPVBT-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)N1CCOCC1 ZINC001382474131 922778652 /nfs/dbraw/zinc/77/86/52/922778652.db2.gz SIAOJPKEXVZVEK-ZDUSSCGKSA-N 1 1 317.430 -1.159 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccn2nnnc2c1 ZINC001382474796 922778731 /nfs/dbraw/zinc/77/87/31/922778731.db2.gz MQWLTEITVYTEMX-NSHDSACASA-N 1 1 308.342 -1.519 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)CCNC(N)=O ZINC001382479058 922780093 /nfs/dbraw/zinc/78/00/93/922780093.db2.gz GFTDFBIKKZJSSP-RYUDHWBXSA-N 1 1 316.402 -1.168 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382478903 922780739 /nfs/dbraw/zinc/78/07/39/922780739.db2.gz TVRKIHWHJRIERJ-NXEZZACHSA-N 1 1 315.374 -2.540 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001382478679 922782519 /nfs/dbraw/zinc/78/25/19/922782519.db2.gz SVILIBNDEYZJPF-GFCCVEGCSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001382478682 922782626 /nfs/dbraw/zinc/78/26/26/922782626.db2.gz SVILIBNDEYZJPF-LBPRGKRZSA-N 1 1 300.403 -1.422 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382512941 922789034 /nfs/dbraw/zinc/78/90/34/922789034.db2.gz YPIKSQVYLWFJOW-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382507980 922790878 /nfs/dbraw/zinc/79/08/78/922790878.db2.gz DOOPEGZLWHRKQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507980 922790889 /nfs/dbraw/zinc/79/08/89/922790889.db2.gz DOOPEGZLWHRKQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507980 922790900 /nfs/dbraw/zinc/79/09/00/922790900.db2.gz DOOPEGZLWHRKQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001382520705 922792206 /nfs/dbraw/zinc/79/22/06/922792206.db2.gz LKBDQWKJGPCZAP-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO COCC[N@H+](CCNC(=O)C1=COCCO1)[C@@H]1CCNC1=O ZINC001382525390 922793499 /nfs/dbraw/zinc/79/34/99/922793499.db2.gz FOGHPHBBKZOCBL-LLVKDONJSA-N 1 1 313.354 -1.172 20 0 DAADMO COCC[N@@H+](CCNC(=O)C1=COCCO1)[C@@H]1CCNC1=O ZINC001382525390 922793508 /nfs/dbraw/zinc/79/35/08/922793508.db2.gz FOGHPHBBKZOCBL-LLVKDONJSA-N 1 1 313.354 -1.172 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001382522310 922793847 /nfs/dbraw/zinc/79/38/47/922793847.db2.gz LPLFAZOPYRYGCX-ONGXEEELSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001382522307 922794005 /nfs/dbraw/zinc/79/40/05/922794005.db2.gz LPLFAZOPYRYGCX-KOLCDFICSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1nccc1C(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382521528 922794311 /nfs/dbraw/zinc/79/43/11/922794311.db2.gz MCMQQSUYKQZLFH-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)CC(C)(C)O ZINC001382527769 922795869 /nfs/dbraw/zinc/79/58/69/922795869.db2.gz QRAVYBLOWDGEKB-LLVKDONJSA-N 1 1 312.370 -1.054 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@H]1CCNC1=O ZINC001382530856 922796173 /nfs/dbraw/zinc/79/61/73/922796173.db2.gz TZSVHMRATDVOPC-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@H]1CCNC1=O ZINC001382530856 922796187 /nfs/dbraw/zinc/79/61/87/922796187.db2.gz TZSVHMRATDVOPC-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001382527474 922796342 /nfs/dbraw/zinc/79/63/42/922796342.db2.gz UAAXULFPCFSLKI-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1csnn1 ZINC001382530846 922797117 /nfs/dbraw/zinc/79/71/17/922797117.db2.gz URYQPFMSNWDMOS-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382551860 922802468 /nfs/dbraw/zinc/80/24/68/922802468.db2.gz WXLAVCHDURIXJT-QWRGUYRKSA-N 1 1 324.385 -1.196 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001382575497 922812549 /nfs/dbraw/zinc/81/25/49/922812549.db2.gz XGDHYFDJRNJADS-SRVKXCTJSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001382625961 922823156 /nfs/dbraw/zinc/82/31/56/922823156.db2.gz YDMUXFQTBPBXLL-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2ncn(C)n2)C1 ZINC001382626791 922823177 /nfs/dbraw/zinc/82/31/77/922823177.db2.gz AYVBGDGMBGJJEP-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001382891671 922840334 /nfs/dbraw/zinc/84/03/34/922840334.db2.gz AHLPPPYPMSURTD-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001382902098 922843239 /nfs/dbraw/zinc/84/32/39/922843239.db2.gz CMFLRZSZSCOODU-STQMWFEESA-N 1 1 311.386 -1.231 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382962631 922857264 /nfs/dbraw/zinc/85/72/64/922857264.db2.gz VSEMUPJMTKQZGK-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ncc[nH]1 ZINC001382989983 922861568 /nfs/dbraw/zinc/86/15/68/922861568.db2.gz VIEOXBFDJOKNNN-WDEREUQCSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1ncn(C)n1 ZINC001382988560 922862358 /nfs/dbraw/zinc/86/23/58/922862358.db2.gz PIPYEFQWQWXIEJ-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)c1nnn(C)n1 ZINC001382991132 922862780 /nfs/dbraw/zinc/86/27/80/922862780.db2.gz DGCJXCIAPKMMMY-ZJUUUORDSA-N 1 1 309.374 -1.262 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001383017332 922867960 /nfs/dbraw/zinc/86/79/60/922867960.db2.gz HITSRUCFJPJEGY-JTQLQIEISA-N 1 1 321.341 -1.441 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1nccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001383037417 922873596 /nfs/dbraw/zinc/87/35/96/922873596.db2.gz DOIKAYKLXHIMOX-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cccnn1 ZINC001383060144 922876162 /nfs/dbraw/zinc/87/61/62/922876162.db2.gz ITRYKLKENWTCLM-NWDGAFQWSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cccnn1 ZINC001383060151 922876448 /nfs/dbraw/zinc/87/64/48/922876448.db2.gz ITRYKLKENWTCLM-RYUDHWBXSA-N 1 1 321.381 -1.023 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383103441 922883919 /nfs/dbraw/zinc/88/39/19/922883919.db2.gz NRFWDTIHXSUXIJ-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383103450 922884268 /nfs/dbraw/zinc/88/42/68/922884268.db2.gz NRFWDTIHXSUXIJ-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO COCC(=O)N1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001383156448 922892181 /nfs/dbraw/zinc/89/21/81/922892181.db2.gz HBLXPKCQWGDYPZ-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)CNC(N)=O)C1 ZINC001383425545 922906297 /nfs/dbraw/zinc/90/62/97/922906297.db2.gz LXOXONNUBKNAEI-KPPDAEKUSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001383784887 922921581 /nfs/dbraw/zinc/92/15/81/922921581.db2.gz GHWFUQTYPULETR-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)CCn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383805700 922925414 /nfs/dbraw/zinc/92/54/14/922925414.db2.gz RAKZXMMCVMTOQS-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001383861091 922935548 /nfs/dbraw/zinc/93/55/48/922935548.db2.gz GUZPSZIIQDLWPF-LLVKDONJSA-N 1 1 324.337 -1.327 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001383877384 922948582 /nfs/dbraw/zinc/94/85/82/922948582.db2.gz JYRXGCOHNMZDIQ-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383889372 922958003 /nfs/dbraw/zinc/95/80/03/922958003.db2.gz MSWKKRMUZLCDGL-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383889372 922958010 /nfs/dbraw/zinc/95/80/10/922958010.db2.gz MSWKKRMUZLCDGL-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO CC(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383890796 922959594 /nfs/dbraw/zinc/95/95/94/922959594.db2.gz RLRQYWDVCYIJAQ-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383890796 922959603 /nfs/dbraw/zinc/95/96/03/922959603.db2.gz RLRQYWDVCYIJAQ-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891573 922959887 /nfs/dbraw/zinc/95/98/87/922959887.db2.gz VHPAPYHUBDMLPN-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891573 922959896 /nfs/dbraw/zinc/95/98/96/922959896.db2.gz VHPAPYHUBDMLPN-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO CC(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001383890797 922960451 /nfs/dbraw/zinc/96/04/51/922960451.db2.gz RLRQYWDVCYIJAQ-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001383890797 922960462 /nfs/dbraw/zinc/96/04/62/922960462.db2.gz RLRQYWDVCYIJAQ-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383897356 922961828 /nfs/dbraw/zinc/96/18/28/922961828.db2.gz UMDZBGUMTZJXHE-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001383895944 922963359 /nfs/dbraw/zinc/96/33/59/922963359.db2.gz RXKOXMZDXRDVKQ-UWVGGRQHSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCNC(N)=O ZINC001383900253 922965228 /nfs/dbraw/zinc/96/52/28/922965228.db2.gz YCMTZXYMJWEHNA-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCNC(N)=O ZINC001383900256 922965712 /nfs/dbraw/zinc/96/57/12/922965712.db2.gz YCMTZXYMJWEHNA-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383899867 922965773 /nfs/dbraw/zinc/96/57/73/922965773.db2.gz LAZZNSRZGLBQCH-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383899867 922965780 /nfs/dbraw/zinc/96/57/80/922965780.db2.gz LAZZNSRZGLBQCH-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O ZINC001383903434 922969146 /nfs/dbraw/zinc/96/91/46/922969146.db2.gz QAWYCSVDOJMLTO-WDEREUQCSA-N 1 1 301.387 -1.165 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383916388 922975734 /nfs/dbraw/zinc/97/57/34/922975734.db2.gz ZXEWGAYBYYLXIL-VHSXEESVSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001383923980 922976486 /nfs/dbraw/zinc/97/64/86/922976486.db2.gz GOMAWGQOPWYVJV-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001383923993 922976588 /nfs/dbraw/zinc/97/65/88/922976588.db2.gz GOMAWGQOPWYVJV-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)CC[N@H+]1C ZINC001383925879 922979608 /nfs/dbraw/zinc/97/96/08/922979608.db2.gz GXJAIUMIRLHVGW-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cn1ncnn1 ZINC001383927704 922980016 /nfs/dbraw/zinc/98/00/16/922980016.db2.gz NXGKMRLALHYKNX-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383929914 922981791 /nfs/dbraw/zinc/98/17/91/922981791.db2.gz VGLNCGFJDGPEBZ-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2cncnc2)C1 ZINC001383929150 922982775 /nfs/dbraw/zinc/98/27/75/922982775.db2.gz SFJZBGQYAZJJSW-QWHCGFSZSA-N 1 1 321.381 -1.436 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001383941788 922984567 /nfs/dbraw/zinc/98/45/67/922984567.db2.gz FNVTYDXTHZXTQJ-KOLCDFICSA-N 1 1 323.353 -1.517 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1nccnc1N ZINC001383944507 922988550 /nfs/dbraw/zinc/98/85/50/922988550.db2.gz SUTXSVNQUWPYTR-SNVBAGLBSA-N 1 1 324.385 -1.394 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001383955531 922991623 /nfs/dbraw/zinc/99/16/23/922991623.db2.gz GSSVSTDRZLTJQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955531 922991636 /nfs/dbraw/zinc/99/16/36/922991636.db2.gz GSSVSTDRZLTJQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955531 922991647 /nfs/dbraw/zinc/99/16/47/922991647.db2.gz GSSVSTDRZLTJQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001383955131 922991709 /nfs/dbraw/zinc/99/17/09/922991709.db2.gz RLTXYKFWNRQHCK-LBPRGKRZSA-N 1 1 311.386 -1.183 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001383968869 922999590 /nfs/dbraw/zinc/99/95/90/922999590.db2.gz MLEJZUSYEJUJTM-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1csnn1 ZINC001383981867 923002925 /nfs/dbraw/zinc/00/29/25/923002925.db2.gz JXGMVMRBQRPUNJ-SCZZXKLOSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cccnn1 ZINC001383978682 923003285 /nfs/dbraw/zinc/00/32/85/923003285.db2.gz DOYLVPDMTGUCHT-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384008099 923022050 /nfs/dbraw/zinc/02/20/50/923022050.db2.gz HGBUVKBABXFLRB-UWVGGRQHSA-N 1 1 324.341 -2.534 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ncccn1 ZINC001384015404 923027136 /nfs/dbraw/zinc/02/71/36/923027136.db2.gz OEVAHMCZBXWORF-WDEREUQCSA-N 1 1 307.354 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001384027401 923031322 /nfs/dbraw/zinc/03/13/22/923031322.db2.gz YEFNPUYDTKLLNP-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001384033299 923033984 /nfs/dbraw/zinc/03/39/84/923033984.db2.gz YXCYBNPDFFFTIZ-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001384033282 923034527 /nfs/dbraw/zinc/03/45/27/923034527.db2.gz YXCYBNPDFFFTIZ-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001384032859 923035360 /nfs/dbraw/zinc/03/53/60/923035360.db2.gz XQLIDGIOSJRRHR-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001384209591 923060057 /nfs/dbraw/zinc/06/00/57/923060057.db2.gz PYVQNWMISUUHGZ-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001384209591 923060072 /nfs/dbraw/zinc/06/00/72/923060072.db2.gz PYVQNWMISUUHGZ-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cn(C)nn1 ZINC001384221726 923064425 /nfs/dbraw/zinc/06/44/25/923064425.db2.gz FOWKSHAGNFRSAZ-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228552 923065802 /nfs/dbraw/zinc/06/58/02/923065802.db2.gz XBPPYLZLXZLUNG-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228766 923066144 /nfs/dbraw/zinc/06/61/44/923066144.db2.gz ZGKNWBDRPLGCES-CHWSQXEVSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224393 923066303 /nfs/dbraw/zinc/06/63/03/923066303.db2.gz KLWAIGFZWSKWDY-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384224393 923066319 /nfs/dbraw/zinc/06/63/19/923066319.db2.gz KLWAIGFZWSKWDY-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224393 923066336 /nfs/dbraw/zinc/06/63/36/923066336.db2.gz KLWAIGFZWSKWDY-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224395 923066741 /nfs/dbraw/zinc/06/67/41/923066741.db2.gz KLWAIGFZWSKWDY-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001384224395 923066756 /nfs/dbraw/zinc/06/67/56/923066756.db2.gz KLWAIGFZWSKWDY-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384224395 923066774 /nfs/dbraw/zinc/06/67/74/923066774.db2.gz KLWAIGFZWSKWDY-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)C[NH+]1CCCC1 ZINC001384227776 923067477 /nfs/dbraw/zinc/06/74/77/923067477.db2.gz WIOQOBISIVVLQM-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384228559 923067644 /nfs/dbraw/zinc/06/76/44/923067644.db2.gz XBPPYLZLXZLUNG-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384225863 923067753 /nfs/dbraw/zinc/06/77/53/923067753.db2.gz PHMOGQUZLAGTBQ-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228769 923067861 /nfs/dbraw/zinc/06/78/61/923067861.db2.gz ZGKNWBDRPLGCES-OLZOCXBDSA-N 1 1 323.397 -1.230 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384225866 923067921 /nfs/dbraw/zinc/06/79/21/923067921.db2.gz PHMOGQUZLAGTBQ-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001384232426 923070183 /nfs/dbraw/zinc/07/01/83/923070183.db2.gz FZMCUAZSLBOPGS-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001384232426 923070201 /nfs/dbraw/zinc/07/02/01/923070201.db2.gz FZMCUAZSLBOPGS-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001384232426 923070213 /nfs/dbraw/zinc/07/02/13/923070213.db2.gz FZMCUAZSLBOPGS-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1O ZINC001384238235 923071471 /nfs/dbraw/zinc/07/14/71/923071471.db2.gz YVUWQLXVCSKPFJ-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001384247172 923076303 /nfs/dbraw/zinc/07/63/03/923076303.db2.gz XYOMUAVXQLOFDM-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001384247172 923076320 /nfs/dbraw/zinc/07/63/20/923076320.db2.gz XYOMUAVXQLOFDM-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001384247172 923076337 /nfs/dbraw/zinc/07/63/37/923076337.db2.gz XYOMUAVXQLOFDM-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001384247172 923076356 /nfs/dbraw/zinc/07/63/56/923076356.db2.gz XYOMUAVXQLOFDM-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001384247172 923076373 /nfs/dbraw/zinc/07/63/73/923076373.db2.gz XYOMUAVXQLOFDM-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001384250914 923077550 /nfs/dbraw/zinc/07/75/50/923077550.db2.gz KYTDDNRVNWIBRF-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001384261511 923079837 /nfs/dbraw/zinc/07/98/37/923079837.db2.gz HPFUFEFMGMIJRP-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001384711417 923097791 /nfs/dbraw/zinc/09/77/91/923097791.db2.gz WCNUDAXYJLIKFB-QJPTWQEYSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1O ZINC001384719640 923100513 /nfs/dbraw/zinc/10/05/13/923100513.db2.gz WYZSQAFAKKPVJR-KXUCPTDWSA-N 1 1 313.358 -2.563 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001384720685 923101353 /nfs/dbraw/zinc/10/13/53/923101353.db2.gz HFUJOCFSPSLLMR-CHWSQXEVSA-N 1 1 323.397 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001384828279 923129474 /nfs/dbraw/zinc/12/94/74/923129474.db2.gz TYEXUZJNFPAMGR-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001384823642 923129512 /nfs/dbraw/zinc/12/95/12/923129512.db2.gz CRBZGVHEQJRRTM-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001384852830 923132426 /nfs/dbraw/zinc/13/24/26/923132426.db2.gz LEZGHDFTSOTDBC-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CNC(N)=O)C1 ZINC001384959878 923136309 /nfs/dbraw/zinc/13/63/09/923136309.db2.gz BSDFOTFWXUDDAK-OUAUKWLOSA-N 1 1 311.386 -1.240 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001385116357 923145615 /nfs/dbraw/zinc/14/56/15/923145615.db2.gz PWBDABBPBRKSRM-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001385117588 923145677 /nfs/dbraw/zinc/14/56/77/923145677.db2.gz UARUUGXQJHEMRI-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001385117589 923145744 /nfs/dbraw/zinc/14/57/44/923145744.db2.gz UARUUGXQJHEMRI-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001385119244 923145952 /nfs/dbraw/zinc/14/59/52/923145952.db2.gz MYATUSXVCKDRKC-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001385119244 923145964 /nfs/dbraw/zinc/14/59/64/923145964.db2.gz MYATUSXVCKDRKC-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001385119244 923145971 /nfs/dbraw/zinc/14/59/71/923145971.db2.gz MYATUSXVCKDRKC-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001385119244 923145980 /nfs/dbraw/zinc/14/59/80/923145980.db2.gz MYATUSXVCKDRKC-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001385119244 923145988 /nfs/dbraw/zinc/14/59/88/923145988.db2.gz MYATUSXVCKDRKC-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1)C1CCC1 ZINC001385163810 923151065 /nfs/dbraw/zinc/15/10/65/923151065.db2.gz DDJIBYAFBRZZJY-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001385526738 923176479 /nfs/dbraw/zinc/17/64/79/923176479.db2.gz FFHAYOTVXATCBV-UHFFFAOYSA-N 1 1 323.401 -1.370 20 0 DAADMO C[NH+](C)CCC(=O)N1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001385526738 923176495 /nfs/dbraw/zinc/17/64/95/923176495.db2.gz FFHAYOTVXATCBV-UHFFFAOYSA-N 1 1 323.401 -1.370 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001385580332 923183560 /nfs/dbraw/zinc/18/35/60/923183560.db2.gz RUKLRIWYVJJWGZ-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001385582267 923184364 /nfs/dbraw/zinc/18/43/64/923184364.db2.gz UCMGHRVAFBBDLZ-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC001385578198 923184605 /nfs/dbraw/zinc/18/46/05/923184605.db2.gz JOKLOSKOUYRDNL-MNOVXSKESA-N 1 1 323.397 -1.001 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001385588548 923185994 /nfs/dbraw/zinc/18/59/94/923185994.db2.gz OSUISGUFZIYCJT-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385590366 923187007 /nfs/dbraw/zinc/18/70/07/923187007.db2.gz LYZBCMHHFJEVLV-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001385589096 923187732 /nfs/dbraw/zinc/18/77/32/923187732.db2.gz GSTZQFSXOXBAMC-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385629463 923190044 /nfs/dbraw/zinc/19/00/44/923190044.db2.gz XIXHYODWNQBJCS-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385613615 923190543 /nfs/dbraw/zinc/19/05/43/923190543.db2.gz KYWWRNCIOFTERA-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001385613575 923190652 /nfs/dbraw/zinc/19/06/52/923190652.db2.gz KYWWRNCIOFTERA-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001385735508 923200117 /nfs/dbraw/zinc/20/01/17/923200117.db2.gz CPXJBKHKQYYEIL-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001385753597 923204010 /nfs/dbraw/zinc/20/40/10/923204010.db2.gz LRPQCZSKRHNEOL-NWDGAFQWSA-N 1 1 321.385 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001385958093 923216805 /nfs/dbraw/zinc/21/68/05/923216805.db2.gz RIMRDVMAXRTKOR-GMTAPVOTSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001385993972 923219566 /nfs/dbraw/zinc/21/95/66/923219566.db2.gz QZGVCYRDWLYZFN-AXFHLTTASA-N 1 1 317.411 -1.111 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001385995652 923220812 /nfs/dbraw/zinc/22/08/12/923220812.db2.gz UJGBUFWXGGNFBG-DTORHVGOSA-N 1 1 314.367 -1.240 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001386002744 923221644 /nfs/dbraw/zinc/22/16/44/923221644.db2.gz IRPUGYQIQLDNJO-MXWKQRLJSA-N 1 1 323.397 -1.098 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386074490 923226433 /nfs/dbraw/zinc/22/64/33/923226433.db2.gz FOGAHRLYXMYTRV-KIJLLGNVSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386074490 923226450 /nfs/dbraw/zinc/22/64/50/923226450.db2.gz FOGAHRLYXMYTRV-KIJLLGNVSA-N 1 1 311.382 -1.075 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001386094136 923228581 /nfs/dbraw/zinc/22/85/81/923228581.db2.gz ATPZMKMFPGVYLB-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC001386093285 923229363 /nfs/dbraw/zinc/22/93/63/923229363.db2.gz HLRJXGBGBZNLCZ-PREPNJAASA-N 1 1 323.397 -1.290 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001386123758 923232528 /nfs/dbraw/zinc/23/25/28/923232528.db2.gz KURPGAZJPUKFAZ-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001386191278 923241904 /nfs/dbraw/zinc/24/19/04/923241904.db2.gz JZHSCQWVWDDRLT-XYPYZODXSA-N 1 1 322.369 -1.116 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001386209463 923242973 /nfs/dbraw/zinc/24/29/73/923242973.db2.gz OLVPFNOKEPFJJR-MGCOHNPYSA-N 1 1 309.374 -1.071 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001386283307 923252027 /nfs/dbraw/zinc/25/20/27/923252027.db2.gz OEKDKIJNSZCRSA-QMMMGPOBSA-N 1 1 306.330 -1.350 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001386308443 923255787 /nfs/dbraw/zinc/25/57/87/923255787.db2.gz GPAONFHWWCJFQW-MXWKQRLJSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386502147 923275197 /nfs/dbraw/zinc/27/51/97/923275197.db2.gz QYTVNAWYUQJCRV-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386501523 923276969 /nfs/dbraw/zinc/27/69/69/923276969.db2.gz NLNYQXQIVNBNHT-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386501523 923276979 /nfs/dbraw/zinc/27/69/79/923276979.db2.gz NLNYQXQIVNBNHT-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001386528509 923279921 /nfs/dbraw/zinc/27/99/21/923279921.db2.gz WGMKDKCBRXEQNN-CIQGVGRVSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001386644157 923290191 /nfs/dbraw/zinc/29/01/91/923290191.db2.gz CPYHZWLRODJYAU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386801110 923308996 /nfs/dbraw/zinc/30/89/96/923308996.db2.gz QSCLPEKOZCHWQD-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001386798850 923309126 /nfs/dbraw/zinc/30/91/26/923309126.db2.gz PJCDIFILUCKCQA-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO C[C@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386793404 923309729 /nfs/dbraw/zinc/30/97/29/923309729.db2.gz NFGJEUXKXZORIH-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386793404 923309738 /nfs/dbraw/zinc/30/97/38/923309738.db2.gz NFGJEUXKXZORIH-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cn2cncn2)C1 ZINC001386827690 923314340 /nfs/dbraw/zinc/31/43/40/923314340.db2.gz SZCOOOZUWCAONR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)Cn2cncn2)C1 ZINC001386827690 923314349 /nfs/dbraw/zinc/31/43/49/923314349.db2.gz SZCOOOZUWCAONR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829711 923315146 /nfs/dbraw/zinc/31/51/46/923315146.db2.gz XQDGSRQYJQEYBX-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829711 923315161 /nfs/dbraw/zinc/31/51/61/923315161.db2.gz XQDGSRQYJQEYBX-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)Cn1cnnn1 ZINC001386869728 923323282 /nfs/dbraw/zinc/32/32/82/923323282.db2.gz IZSTZGCAHMFFEM-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)Cn1nccn1 ZINC001386946754 923332513 /nfs/dbraw/zinc/33/25/13/923332513.db2.gz RFWKCUFBFJYRRL-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001386965594 923336363 /nfs/dbraw/zinc/33/63/63/923336363.db2.gz QOKRDRRTRHXFJC-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001387035795 923346037 /nfs/dbraw/zinc/34/60/37/923346037.db2.gz LUHXONOPFAQKRK-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387040967 923349190 /nfs/dbraw/zinc/34/91/90/923349190.db2.gz HLELYBLAMXHKSB-BNDIWNMDSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387040967 923349206 /nfs/dbraw/zinc/34/92/06/923349206.db2.gz HLELYBLAMXHKSB-BNDIWNMDSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001387077774 923354053 /nfs/dbraw/zinc/35/40/53/923354053.db2.gz VCJYMUOPHHULJW-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001387179103 923361457 /nfs/dbraw/zinc/36/14/57/923361457.db2.gz VXJJKCLPUWVFNR-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001387179103 923361472 /nfs/dbraw/zinc/36/14/72/923361472.db2.gz VXJJKCLPUWVFNR-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387188686 923365442 /nfs/dbraw/zinc/36/54/42/923365442.db2.gz IHXDNWSTIJCAIK-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387188686 923365452 /nfs/dbraw/zinc/36/54/52/923365452.db2.gz IHXDNWSTIJCAIK-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cn1ncnn1 ZINC001387226003 923367417 /nfs/dbraw/zinc/36/74/17/923367417.db2.gz ZOAZFHZROCUYBD-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CC)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001387287874 923372373 /nfs/dbraw/zinc/37/23/73/923372373.db2.gz FFYHPCCKRNEXKO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001387330129 923373522 /nfs/dbraw/zinc/37/35/22/923373522.db2.gz SDEDEHPMOOCCFS-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCN1C(=O)CNC(N)=O ZINC001387367477 923376546 /nfs/dbraw/zinc/37/65/46/923376546.db2.gz NXDHAPGXYUDEGW-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001387422408 923378989 /nfs/dbraw/zinc/37/89/89/923378989.db2.gz SHISGLDIGOYSLA-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001387422408 923379000 /nfs/dbraw/zinc/37/90/00/923379000.db2.gz SHISGLDIGOYSLA-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001387671214 923392081 /nfs/dbraw/zinc/39/20/81/923392081.db2.gz IIWQNXPPFOJCEA-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001387687015 923393360 /nfs/dbraw/zinc/39/33/60/923393360.db2.gz NVJJGJNRWAUTSH-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387719005 923403562 /nfs/dbraw/zinc/40/35/62/923403562.db2.gz TVZKAMJRMUQINA-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001387733899 923406422 /nfs/dbraw/zinc/40/64/22/923406422.db2.gz NTYGPBBRNMRATM-UHFFFAOYSA-N 1 1 320.415 -1.797 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CN(C)CCO1 ZINC001387751817 923411246 /nfs/dbraw/zinc/41/12/46/923411246.db2.gz MQVWZFKDUYLUMK-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CN(C)CCO1 ZINC001387751815 923412048 /nfs/dbraw/zinc/41/20/48/923412048.db2.gz MQVWZFKDUYLUMK-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001387762325 923414213 /nfs/dbraw/zinc/41/42/13/923414213.db2.gz QZTWREAGXHVDGQ-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001387768177 923418340 /nfs/dbraw/zinc/41/83/40/923418340.db2.gz WALMDFVCWVZLOB-NSHDSACASA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001387842030 923431896 /nfs/dbraw/zinc/43/18/96/923431896.db2.gz WYSJDGNAUDZMLC-LLVKDONJSA-N 1 1 307.358 -1.801 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001387868776 923434544 /nfs/dbraw/zinc/43/45/44/923434544.db2.gz FEUHEGUINNNEKG-LLVKDONJSA-N 1 1 323.397 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001387868777 923435992 /nfs/dbraw/zinc/43/59/92/923435992.db2.gz FEUHEGUINNNEKG-NSHDSACASA-N 1 1 323.397 -1.286 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001387875941 923438059 /nfs/dbraw/zinc/43/80/59/923438059.db2.gz VYAZHYPLESZNJB-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001387901583 923440863 /nfs/dbraw/zinc/44/08/63/923440863.db2.gz HIDMHHRDHLNQHB-JTQLQIEISA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001387908433 923444554 /nfs/dbraw/zinc/44/45/54/923444554.db2.gz FMUFQEJCEBIJDW-JTQLQIEISA-N 1 1 309.326 -1.125 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043969 923458321 /nfs/dbraw/zinc/45/83/21/923458321.db2.gz USYYIBYHRXPGQH-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043969 923458329 /nfs/dbraw/zinc/45/83/29/923458329.db2.gz USYYIBYHRXPGQH-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043972 923458812 /nfs/dbraw/zinc/45/88/12/923458812.db2.gz USYYIBYHRXPGQH-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043972 923458822 /nfs/dbraw/zinc/45/88/22/923458822.db2.gz USYYIBYHRXPGQH-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001388186305 923467439 /nfs/dbraw/zinc/46/74/39/923467439.db2.gz FUMSFFKOVPFBEY-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388201147 923471449 /nfs/dbraw/zinc/47/14/49/923471449.db2.gz GZURLRHJWPCSLC-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388201147 923471464 /nfs/dbraw/zinc/47/14/64/923471464.db2.gz GZURLRHJWPCSLC-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CNC(=O)Cn1cnnn1 ZINC001388385557 923475504 /nfs/dbraw/zinc/47/55/04/923475504.db2.gz FLXFWORKOHXDDV-NWDGAFQWSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388426215 923481846 /nfs/dbraw/zinc/48/18/46/923481846.db2.gz UTECHYBSUOGDBD-RYUDHWBXSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388426215 923481858 /nfs/dbraw/zinc/48/18/58/923481858.db2.gz UTECHYBSUOGDBD-RYUDHWBXSA-N 1 1 324.385 -1.523 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)COC ZINC001388643699 923488635 /nfs/dbraw/zinc/48/86/35/923488635.db2.gz XMFQBPUFQISUCO-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001388640551 923490309 /nfs/dbraw/zinc/49/03/09/923490309.db2.gz TXMJJJGVYIMIND-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)COC ZINC001388643696 923490407 /nfs/dbraw/zinc/49/04/07/923490407.db2.gz XMFQBPUFQISUCO-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001388656883 923492329 /nfs/dbraw/zinc/49/23/29/923492329.db2.gz CSOCSGWXOSMDRY-MNOVXSKESA-N 1 1 302.375 -1.415 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001388687249 923495172 /nfs/dbraw/zinc/49/51/72/923495172.db2.gz QYOGMNOVSRDVTB-AXFHLTTASA-N 1 1 312.374 -1.144 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001388721348 923496549 /nfs/dbraw/zinc/49/65/49/923496549.db2.gz QELKJGVUIIFJEH-KYZUINATSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778324 923498255 /nfs/dbraw/zinc/49/82/55/923498255.db2.gz NSRHWQGWZSENIY-RYUDHWBXSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778324 923498262 /nfs/dbraw/zinc/49/82/62/923498262.db2.gz NSRHWQGWZSENIY-RYUDHWBXSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775859 923498606 /nfs/dbraw/zinc/49/86/06/923498606.db2.gz RQKXQCRHUANSEB-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775859 923498618 /nfs/dbraw/zinc/49/86/18/923498618.db2.gz RQKXQCRHUANSEB-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775877 923498707 /nfs/dbraw/zinc/49/87/07/923498707.db2.gz RQKXQCRHUANSEB-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775877 923498719 /nfs/dbraw/zinc/49/87/19/923498719.db2.gz RQKXQCRHUANSEB-NWDGAFQWSA-N 1 1 322.427 -1.303 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001388773180 923498889 /nfs/dbraw/zinc/49/88/89/923498889.db2.gz GCNHTPCQEZGQND-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001388773180 923498898 /nfs/dbraw/zinc/49/88/98/923498898.db2.gz GCNHTPCQEZGQND-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO COCC(=O)N1CCC[C@H]([N@H+](CCO)C[C@H](O)COC)C1 ZINC001388777838 923499034 /nfs/dbraw/zinc/49/90/34/923499034.db2.gz RLMBCROEFJMPBX-STQMWFEESA-N 1 1 304.387 -1.075 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388765674 923499559 /nfs/dbraw/zinc/49/95/59/923499559.db2.gz DIZPFCGENFAXKR-PSASIEDQSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778327 923499651 /nfs/dbraw/zinc/49/96/51/923499651.db2.gz NSRHWQGWZSENIY-VXGBXAGGSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1)n1cncn1 ZINC001388778327 923499660 /nfs/dbraw/zinc/49/96/60/923499660.db2.gz NSRHWQGWZSENIY-VXGBXAGGSA-N 1 1 324.385 -1.390 20 0 DAADMO CCO[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001388758842 923499854 /nfs/dbraw/zinc/49/98/54/923499854.db2.gz FARZENBMKDKWPD-GHMZBOCLSA-N 1 1 324.385 -1.324 20 0 DAADMO COCC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@H](O)COC)C1 ZINC001388777837 923500445 /nfs/dbraw/zinc/50/04/45/923500445.db2.gz RLMBCROEFJMPBX-OLZOCXBDSA-N 1 1 304.387 -1.075 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001388979473 923510501 /nfs/dbraw/zinc/51/05/01/923510501.db2.gz AZNWJEBTBNMQIO-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001389044777 923517064 /nfs/dbraw/zinc/51/70/64/923517064.db2.gz PMKNQLHKFJPKTA-YPMHNXCESA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001389061469 923520998 /nfs/dbraw/zinc/52/09/98/923520998.db2.gz NJJNRQLLCYVJSS-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059389 923522708 /nfs/dbraw/zinc/52/27/08/923522708.db2.gz MYFPUMCQMVEKCF-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059389 923522716 /nfs/dbraw/zinc/52/27/16/923522716.db2.gz MYFPUMCQMVEKCF-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001389068416 923528001 /nfs/dbraw/zinc/52/80/01/923528001.db2.gz YXVSLPXBELXAAT-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1nccnc1N ZINC001389071728 923530303 /nfs/dbraw/zinc/53/03/03/923530303.db2.gz BWLYOEUDOZXZGL-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001389070723 923530431 /nfs/dbraw/zinc/53/04/31/923530431.db2.gz GMGKNZNKEKDVSC-VHSXEESVSA-N 1 1 321.399 -2.282 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CS(C)(=O)=O)C1 ZINC001389070770 923531372 /nfs/dbraw/zinc/53/13/72/923531372.db2.gz GWYUXCMLDRAGEA-NXEZZACHSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001389074359 923533863 /nfs/dbraw/zinc/53/38/63/923533863.db2.gz GSLIOPJDEBOWHX-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072904 923533999 /nfs/dbraw/zinc/53/39/99/923533999.db2.gz UPJORBKHQKNXQM-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072904 923534013 /nfs/dbraw/zinc/53/40/13/923534013.db2.gz UPJORBKHQKNXQM-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001389078180 923538803 /nfs/dbraw/zinc/53/88/03/923538803.db2.gz PDMFQZUHXRFAGS-WDEREUQCSA-N 1 1 323.353 -1.937 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2ccnn2)C1 ZINC001389085983 923544027 /nfs/dbraw/zinc/54/40/27/923544027.db2.gz HMIIDAIIQVZQOO-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001389088879 923544179 /nfs/dbraw/zinc/54/41/79/923544179.db2.gz FFTWVDLDLOOQPE-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088879 923544194 /nfs/dbraw/zinc/54/41/94/923544194.db2.gz FFTWVDLDLOOQPE-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088879 923544208 /nfs/dbraw/zinc/54/42/08/923544208.db2.gz FFTWVDLDLOOQPE-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001389089604 923545738 /nfs/dbraw/zinc/54/57/38/923545738.db2.gz LJTZFZXDBGIZSP-NWDGAFQWSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389091347 923545787 /nfs/dbraw/zinc/54/57/87/923545787.db2.gz MYEDIDCDDJKASJ-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2csnn2)C1 ZINC001389091639 923547021 /nfs/dbraw/zinc/54/70/21/923547021.db2.gz CWPKGJCGOYARSR-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001389094563 923550631 /nfs/dbraw/zinc/55/06/31/923550631.db2.gz HMIRBIVRLWDGLE-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1)C1CCC1 ZINC001389098441 923552539 /nfs/dbraw/zinc/55/25/39/923552539.db2.gz NSAZUHKTJCRAOA-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1)C1CCC1 ZINC001389098441 923552549 /nfs/dbraw/zinc/55/25/49/923552549.db2.gz NSAZUHKTJCRAOA-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1)C1CCC1 ZINC001389098441 923552562 /nfs/dbraw/zinc/55/25/62/923552562.db2.gz NSAZUHKTJCRAOA-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001389104806 923554740 /nfs/dbraw/zinc/55/47/40/923554740.db2.gz CHRDGSOYVUGDBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104806 923554751 /nfs/dbraw/zinc/55/47/51/923554751.db2.gz CHRDGSOYVUGDBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104806 923554763 /nfs/dbraw/zinc/55/47/63/923554763.db2.gz CHRDGSOYVUGDBS-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO COCC1(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001389106542 923555509 /nfs/dbraw/zinc/55/55/09/923555509.db2.gz RDYXZOAVIREVLD-RYUDHWBXSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ccnnc1 ZINC001389101243 923556184 /nfs/dbraw/zinc/55/61/84/923556184.db2.gz AIHZZBRUJCQUCS-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001389109900 923558224 /nfs/dbraw/zinc/55/82/24/923558224.db2.gz UFTMHMGDMAMWHJ-MWLCHTKSSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001389115295 923560945 /nfs/dbraw/zinc/56/09/45/923560945.db2.gz YRADIORNISDOAM-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389118330 923562584 /nfs/dbraw/zinc/56/25/84/923562584.db2.gz XUIYIOQCXKUFNB-ZJUUUORDSA-N 1 1 324.341 -2.534 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001389118897 923564519 /nfs/dbraw/zinc/56/45/19/923564519.db2.gz YVYBCSKVEKOUFW-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001389168044 923573808 /nfs/dbraw/zinc/57/38/08/923573808.db2.gz LLKSRZWEVSYRKH-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001389168044 923573816 /nfs/dbraw/zinc/57/38/16/923573816.db2.gz LLKSRZWEVSYRKH-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001389181283 923576042 /nfs/dbraw/zinc/57/60/42/923576042.db2.gz ZRNLJXJRVRVZDU-SNVBAGLBSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001389186316 923579838 /nfs/dbraw/zinc/57/98/38/923579838.db2.gz UTPYMRHGWBJOIC-IQJOONFLSA-N 1 1 311.386 -1.290 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1CS(=O)(=O)C1 ZINC001389188529 923579917 /nfs/dbraw/zinc/57/99/17/923579917.db2.gz XAOZYOQFBAGOOO-MWLCHTKSSA-N 1 1 317.411 -1.254 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389213162 923584608 /nfs/dbraw/zinc/58/46/08/923584608.db2.gz VKTSXCGRLUMLJF-SNVBAGLBSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCc3cn[nH]c3)C2)C1 ZINC001389224009 923587197 /nfs/dbraw/zinc/58/71/97/923587197.db2.gz ICVIOVGGRKLNKF-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCc3cn[nH]c3)C2)C1 ZINC001389224009 923587202 /nfs/dbraw/zinc/58/72/02/923587202.db2.gz ICVIOVGGRKLNKF-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001389252988 923592322 /nfs/dbraw/zinc/59/23/22/923592322.db2.gz AVBDXGXDNXVCGP-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001389342635 923602651 /nfs/dbraw/zinc/60/26/51/923602651.db2.gz JGETZAVUPCSVJA-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001389338185 923602882 /nfs/dbraw/zinc/60/28/82/923602882.db2.gz SHKMMFMRKPAXLI-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001389333141 923602967 /nfs/dbraw/zinc/60/29/67/923602967.db2.gz UXKDWVVPAQSZRT-UHFFFAOYSA-N 1 1 324.345 -2.209 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001389351321 923605103 /nfs/dbraw/zinc/60/51/03/923605103.db2.gz DIICUYDXIUROEJ-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001389396690 923613821 /nfs/dbraw/zinc/61/38/21/923613821.db2.gz GLOJVSXFWPFROK-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(NCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1)c1cnon1 ZINC001389434734 923622533 /nfs/dbraw/zinc/62/25/33/923622533.db2.gz FRRJSNMWTVCFOM-GFCCVEGCSA-N 1 1 322.369 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001389450814 923624644 /nfs/dbraw/zinc/62/46/44/923624644.db2.gz CPZMPJWBSZYGQI-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451630 923625256 /nfs/dbraw/zinc/62/52/56/923625256.db2.gz OSKONEHZMBLKIL-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451630 923625270 /nfs/dbraw/zinc/62/52/70/923625270.db2.gz OSKONEHZMBLKIL-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001389451467 923625366 /nfs/dbraw/zinc/62/53/66/923625366.db2.gz JPGYTIQMQRUMLH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001389440018 923625745 /nfs/dbraw/zinc/62/57/45/923625745.db2.gz ULJBKYKJXLZMPF-VXGBXAGGSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001389440018 923625753 /nfs/dbraw/zinc/62/57/53/923625753.db2.gz ULJBKYKJXLZMPF-VXGBXAGGSA-N 1 1 317.411 -1.252 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001389449514 923626836 /nfs/dbraw/zinc/62/68/36/923626836.db2.gz JFDMNJMKAVLWLE-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001389449514 923626849 /nfs/dbraw/zinc/62/68/49/923626849.db2.gz JFDMNJMKAVLWLE-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001389457439 923628022 /nfs/dbraw/zinc/62/80/22/923628022.db2.gz QDIHXNSYCFFIPQ-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001389454081 923630288 /nfs/dbraw/zinc/63/02/88/923630288.db2.gz PUJKDGLVBMTUPK-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001389475420 923632671 /nfs/dbraw/zinc/63/26/71/923632671.db2.gz DTWMEJMKZIYQDH-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001389475420 923632685 /nfs/dbraw/zinc/63/26/85/923632685.db2.gz DTWMEJMKZIYQDH-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCF)C1 ZINC001389484169 923634782 /nfs/dbraw/zinc/63/47/82/923634782.db2.gz GBRQCAZKTLRJMW-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001389595229 923650445 /nfs/dbraw/zinc/65/04/45/923650445.db2.gz LSPAGPQAHWXPFK-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001389595216 923650625 /nfs/dbraw/zinc/65/06/25/923650625.db2.gz LSPAGPQAHWXPFK-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)Cn2ncnn2)C2CC2)n1 ZINC001389603341 923652397 /nfs/dbraw/zinc/65/23/97/923652397.db2.gz DCSRWKFDPIQUQY-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001389589508 923652559 /nfs/dbraw/zinc/65/25/59/923652559.db2.gz FALOZBAAXFYHGR-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001389611790 923654796 /nfs/dbraw/zinc/65/47/96/923654796.db2.gz NYFWOLJXBFXJHO-VIFPVBQESA-N 1 1 310.362 -1.877 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cn(C)nn1)C1CC1 ZINC001389607748 923655150 /nfs/dbraw/zinc/65/51/50/923655150.db2.gz HEMJDQMHWLYYEU-LLVKDONJSA-N 1 1 309.374 -1.272 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389633983 923657933 /nfs/dbraw/zinc/65/79/33/923657933.db2.gz ZHHBFZYDAGPRIC-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389633983 923657938 /nfs/dbraw/zinc/65/79/38/923657938.db2.gz ZHHBFZYDAGPRIC-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC001389634386 923657965 /nfs/dbraw/zinc/65/79/65/923657965.db2.gz CJFJNWBSZPQQAP-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 ZINC001389667122 923662842 /nfs/dbraw/zinc/66/28/42/923662842.db2.gz OGMVEESHATWLTR-GRYCIOLGSA-N 1 1 306.370 -1.079 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)CCn2cnnn2)C2CC2)n1 ZINC001389683533 923664580 /nfs/dbraw/zinc/66/45/80/923664580.db2.gz MGKIATDDYPAJNH-LBPRGKRZSA-N 1 1 319.373 -1.124 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001389673038 923664816 /nfs/dbraw/zinc/66/48/16/923664816.db2.gz RSSWWIVBVZVZET-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001389673611 923665534 /nfs/dbraw/zinc/66/55/34/923665534.db2.gz YRMIKFRSZODCBV-RYUDHWBXSA-N 1 1 321.385 -1.036 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001389742608 923672292 /nfs/dbraw/zinc/67/22/92/923672292.db2.gz ANLVZKUXJVJVBX-USZNOCQGSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001389732098 923672465 /nfs/dbraw/zinc/67/24/65/923672465.db2.gz DWEUMSVYYNEQGG-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001389735464 923672801 /nfs/dbraw/zinc/67/28/01/923672801.db2.gz YYWQIKOEIOHPPO-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001389762271 923674917 /nfs/dbraw/zinc/67/49/17/923674917.db2.gz KOJYCYLMATZRMF-ONGXEEELSA-N 1 1 309.374 -1.060 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001389754497 923675024 /nfs/dbraw/zinc/67/50/24/923675024.db2.gz JHLXNLXNSHTZNN-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001389754490 923675500 /nfs/dbraw/zinc/67/55/00/923675500.db2.gz JHLXNLXNSHTZNN-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001389771401 923678406 /nfs/dbraw/zinc/67/84/06/923678406.db2.gz RMUYEAPMWSKXKR-UHFFFAOYSA-N 1 1 318.341 -1.396 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN(C(=O)c2cn[nH]n2)C1 ZINC001389814667 923684829 /nfs/dbraw/zinc/68/48/29/923684829.db2.gz KBGBQEMJWBLQMX-UHFFFAOYSA-N 1 1 322.369 -1.285 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001389845296 923690184 /nfs/dbraw/zinc/69/01/84/923690184.db2.gz GCLBMYWABVWSBI-KYZUINATSA-N 1 1 317.371 -1.254 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001389895446 923694930 /nfs/dbraw/zinc/69/49/30/923694930.db2.gz KBKFDZRDXKOQLD-MNOVXSKESA-N 1 1 323.397 -1.083 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)c2nnn(C)n2)CC1 ZINC001389918715 923695224 /nfs/dbraw/zinc/69/52/24/923695224.db2.gz OVRVZFMAHCMLLI-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC001389950002 923701960 /nfs/dbraw/zinc/70/19/60/923701960.db2.gz JVRHXQJGCZAPMV-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)CC[C@H]21 ZINC001389950007 923702817 /nfs/dbraw/zinc/70/28/17/923702817.db2.gz JVRHXQJGCZAPMV-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)C(=O)C1CC1 ZINC001389976432 923704493 /nfs/dbraw/zinc/70/44/93/923704493.db2.gz JSGHENLKWYMUTQ-PHIMTYICSA-N 1 1 321.385 -1.185 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001389970096 923704678 /nfs/dbraw/zinc/70/46/78/923704678.db2.gz ZRGXSAWZDFBFID-AXFHLTTASA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1)NC(N)=O ZINC001389977214 923706103 /nfs/dbraw/zinc/70/61/03/923706103.db2.gz TZFYTKTZEKTASE-KYXWUPHJSA-N 1 1 324.389 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001390027173 923710194 /nfs/dbraw/zinc/71/01/94/923710194.db2.gz AMAMUFTYMGYLTC-MNOVXSKESA-N 1 1 324.385 -1.716 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001390030040 923711252 /nfs/dbraw/zinc/71/12/52/923711252.db2.gz FEYAEYMCBJFZNS-SRVKXCTJSA-N 1 1 316.402 -1.121 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001390051013 923712727 /nfs/dbraw/zinc/71/27/27/923712727.db2.gz UXPHRNFQTSYGHP-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390054551 923713442 /nfs/dbraw/zinc/71/34/42/923713442.db2.gz DWWMISSFMHIALH-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390054551 923713455 /nfs/dbraw/zinc/71/34/55/923713455.db2.gz DWWMISSFMHIALH-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390063256 923714940 /nfs/dbraw/zinc/71/49/40/923714940.db2.gz JXRGXKHURQOSMC-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390063256 923714951 /nfs/dbraw/zinc/71/49/51/923714951.db2.gz JXRGXKHURQOSMC-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001390037048 923715058 /nfs/dbraw/zinc/71/50/58/923715058.db2.gz LYKTVBYIEPBPJA-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001390051025 923715103 /nfs/dbraw/zinc/71/51/03/923715103.db2.gz UXPHRNFQTSYGHP-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001390079391 923715963 /nfs/dbraw/zinc/71/59/63/923715963.db2.gz SMPYDVVHCIGSDV-UHFFFAOYSA-N 1 1 309.374 -1.167 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)S(C)(=O)=O ZINC001390208814 923722739 /nfs/dbraw/zinc/72/27/39/923722739.db2.gz JHEDLZPDBXDYOJ-KKJSVHSVSA-N 1 1 320.411 -1.527 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)S(C)(=O)=O ZINC001390208814 923722756 /nfs/dbraw/zinc/72/27/56/923722756.db2.gz JHEDLZPDBXDYOJ-KKJSVHSVSA-N 1 1 320.411 -1.527 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001390219779 923724463 /nfs/dbraw/zinc/72/44/63/923724463.db2.gz HAYWBZAKMUFNBM-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001390211303 923724776 /nfs/dbraw/zinc/72/47/76/923724776.db2.gz CMHGYLSTANCBCF-RNWYCLNJSA-N 1 1 319.427 -1.259 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001390211299 923725060 /nfs/dbraw/zinc/72/50/60/923725060.db2.gz IECRMILQBSVDFX-HKLXJQGRSA-N 1 1 308.382 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001390211299 923725077 /nfs/dbraw/zinc/72/50/77/923725077.db2.gz IECRMILQBSVDFX-HKLXJQGRSA-N 1 1 308.382 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001390214051 923725134 /nfs/dbraw/zinc/72/51/34/923725134.db2.gz QRGUWVGQIYKYCD-OFKSJOQMSA-N 1 1 311.386 -1.386 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001390223602 923727137 /nfs/dbraw/zinc/72/71/37/923727137.db2.gz IKNNHIGJZCNEPC-MLGHIDQZSA-N 1 1 311.382 -1.075 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390304 923731366 /nfs/dbraw/zinc/73/13/66/923731366.db2.gz XFQVYFGCPOCFBF-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390304 923731373 /nfs/dbraw/zinc/73/13/73/923731373.db2.gz XFQVYFGCPOCFBF-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001390367723 923731404 /nfs/dbraw/zinc/73/14/04/923731404.db2.gz ATYIUAVIFJXUHQ-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001390367846 923732985 /nfs/dbraw/zinc/73/29/85/923732985.db2.gz CUBBYRYMWPZANP-MRVPVSSYSA-N 1 1 305.346 -1.037 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390314 923733451 /nfs/dbraw/zinc/73/34/51/923733451.db2.gz XFQVYFGCPOCFBF-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390314 923733468 /nfs/dbraw/zinc/73/34/68/923733468.db2.gz XFQVYFGCPOCFBF-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001390379736 923733882 /nfs/dbraw/zinc/73/38/82/923733882.db2.gz LLVIKOPDSLCHON-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001390372247 923733963 /nfs/dbraw/zinc/73/39/63/923733963.db2.gz WYQIVVOFAYFNBY-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cnn(C)n1 ZINC001390399473 923736042 /nfs/dbraw/zinc/73/60/42/923736042.db2.gz MIXBLVDTEOPXMV-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cnn(C)n1 ZINC001390399469 923737380 /nfs/dbraw/zinc/73/73/80/923737380.db2.gz MIXBLVDTEOPXMV-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+][C@H](C)c1nnnn1C ZINC001390457018 923743708 /nfs/dbraw/zinc/74/37/08/923743708.db2.gz BICKRABSUSFEJM-HTQZYQBOSA-N 1 1 306.330 -1.238 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1c[nH]c(=O)cn1)c1nnnn1C ZINC001390457020 923744916 /nfs/dbraw/zinc/74/49/16/923744916.db2.gz BICKRABSUSFEJM-JGVFFNPUSA-N 1 1 306.330 -1.238 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[NH2+][C@@H](C)c1nnnn1C ZINC001390457022 923744953 /nfs/dbraw/zinc/74/49/53/923744953.db2.gz BICKRABSUSFEJM-SFYZADRCSA-N 1 1 306.330 -1.238 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001390465121 923746063 /nfs/dbraw/zinc/74/60/63/923746063.db2.gz LPQPBEKJSDJCPL-RKDXNWHRSA-N 1 1 310.362 -1.641 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001390486476 923746879 /nfs/dbraw/zinc/74/68/79/923746879.db2.gz VLMPEERXXYIMRX-DVVUODLYSA-N 1 1 310.358 -1.558 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)CNC(N)=O ZINC001390469632 923747979 /nfs/dbraw/zinc/74/79/79/923747979.db2.gz DZDIIHCHKUBCSS-JTQLQIEISA-N 1 1 310.358 -1.129 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001390485315 923748744 /nfs/dbraw/zinc/74/87/44/923748744.db2.gz BQTNUUPAERZHMQ-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC1CCOCC1 ZINC001390485315 923748760 /nfs/dbraw/zinc/74/87/60/923748760.db2.gz BQTNUUPAERZHMQ-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001390485309 923748820 /nfs/dbraw/zinc/74/88/20/923748820.db2.gz BQTNUUPAERZHMQ-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC1CCOCC1 ZINC001390485309 923748838 /nfs/dbraw/zinc/74/88/38/923748838.db2.gz BQTNUUPAERZHMQ-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001390505978 923752490 /nfs/dbraw/zinc/75/24/90/923752490.db2.gz HHRLOBKOTIVEAG-GHMZBOCLSA-N 1 1 307.358 -1.301 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001390516163 923752775 /nfs/dbraw/zinc/75/27/75/923752775.db2.gz XODVCICILXKHHM-ZJUUUORDSA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)cn1 ZINC001390531797 923754721 /nfs/dbraw/zinc/75/47/21/923754721.db2.gz KWBMNAPJSWVISA-JTQLQIEISA-N 1 1 315.399 -1.071 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001390548556 923754920 /nfs/dbraw/zinc/75/49/20/923754920.db2.gz ABXKLXXJSAJMOG-VIFPVBQESA-N 1 1 308.342 -1.022 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001390533983 923755480 /nfs/dbraw/zinc/75/54/80/923755480.db2.gz QHLSADDGENVHRM-WCBMZHEXSA-N 1 1 316.387 -1.899 20 0 DAADMO CNC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001390551778 923756375 /nfs/dbraw/zinc/75/63/75/923756375.db2.gz IGYFRAUYZJJXFN-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001390559970 923757783 /nfs/dbraw/zinc/75/77/83/923757783.db2.gz KNLJPRIHYSKKEM-JTQLQIEISA-N 1 1 317.371 -1.581 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001390583913 923762128 /nfs/dbraw/zinc/76/21/28/923762128.db2.gz RQCNGFFTBHCYCF-ONGXEEELSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758570 923773127 /nfs/dbraw/zinc/77/31/27/923773127.db2.gz QKEBKXJIMSPWLS-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758570 923773139 /nfs/dbraw/zinc/77/31/39/923773139.db2.gz QKEBKXJIMSPWLS-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO Cn1c(C[N@H+](C)CCNC(=O)[C@@H]2CCOC2)cc(=O)n(C)c1=O ZINC001390742443 923773862 /nfs/dbraw/zinc/77/38/62/923773862.db2.gz PBDMMLZQBDNTHN-LLVKDONJSA-N 1 1 324.381 -1.332 20 0 DAADMO Cn1c(C[N@@H+](C)CCNC(=O)[C@@H]2CCOC2)cc(=O)n(C)c1=O ZINC001390742443 923773879 /nfs/dbraw/zinc/77/38/79/923773879.db2.gz PBDMMLZQBDNTHN-LLVKDONJSA-N 1 1 324.381 -1.332 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001390742780 923774499 /nfs/dbraw/zinc/77/44/99/923774499.db2.gz OFXKXEGKSOZEBT-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001390758562 923775638 /nfs/dbraw/zinc/77/56/38/923775638.db2.gz QIEACUZPRSIRGC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001390758562 923775643 /nfs/dbraw/zinc/77/56/43/923775643.db2.gz QIEACUZPRSIRGC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001390779556 923776220 /nfs/dbraw/zinc/77/62/20/923776220.db2.gz IYULDHOEPOIWEA-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001390779556 923776229 /nfs/dbraw/zinc/77/62/29/923776229.db2.gz IYULDHOEPOIWEA-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001390767796 923776416 /nfs/dbraw/zinc/77/64/16/923776416.db2.gz QELYDKDYZNQLLJ-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001390767796 923776428 /nfs/dbraw/zinc/77/64/28/923776428.db2.gz QELYDKDYZNQLLJ-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001390762954 923776629 /nfs/dbraw/zinc/77/66/29/923776629.db2.gz HMBCJPKTSXXGPO-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001390762954 923776647 /nfs/dbraw/zinc/77/66/47/923776647.db2.gz HMBCJPKTSXXGPO-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C)[C@@H]2CCCN(C)C2=O)c1=O ZINC001390782001 923776903 /nfs/dbraw/zinc/77/69/03/923776903.db2.gz HRJWZMLEURZXRT-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)c1=O ZINC001390782001 923776916 /nfs/dbraw/zinc/77/69/16/923776916.db2.gz HRJWZMLEURZXRT-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC001390762820 923778646 /nfs/dbraw/zinc/77/86/46/923778646.db2.gz GTMDUKDYJNWCIJ-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC001390762820 923778655 /nfs/dbraw/zinc/77/86/55/923778655.db2.gz GTMDUKDYJNWCIJ-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001390768929 923778896 /nfs/dbraw/zinc/77/88/96/923778896.db2.gz WFEWTRKXTYWVLJ-JTQLQIEISA-N 1 1 309.374 -1.258 20 0 DAADMO C[N@H+](CCNC(=O)CO[C@H]1CCOC1)CC(=O)NC(N)=O ZINC001390759373 923778992 /nfs/dbraw/zinc/77/89/92/923778992.db2.gz VKRSNFSXAOIJOT-VIFPVBQESA-N 1 1 302.331 -1.965 20 0 DAADMO C[N@@H+](CCNC(=O)CO[C@H]1CCOC1)CC(=O)NC(N)=O ZINC001390759373 923778998 /nfs/dbraw/zinc/77/89/98/923778998.db2.gz VKRSNFSXAOIJOT-VIFPVBQESA-N 1 1 302.331 -1.965 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@H]2CCc3ncnn32)NC1=O ZINC001390795113 923780946 /nfs/dbraw/zinc/78/09/46/923780946.db2.gz CFESXXUUUGZUIV-MNOVXSKESA-N 1 1 321.385 -1.163 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn(CCF)c1)CC(=O)NC(N)=O ZINC001390784382 923781073 /nfs/dbraw/zinc/78/10/73/923781073.db2.gz QPURJLWHDLUHPA-UHFFFAOYSA-N 1 1 314.321 -1.291 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn(CCF)c1)CC(=O)NC(N)=O ZINC001390784382 923781084 /nfs/dbraw/zinc/78/10/84/923781084.db2.gz QPURJLWHDLUHPA-UHFFFAOYSA-N 1 1 314.321 -1.291 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001390794383 923781425 /nfs/dbraw/zinc/78/14/25/923781425.db2.gz NGZWJOYUOUMETP-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001390794383 923781435 /nfs/dbraw/zinc/78/14/35/923781435.db2.gz NGZWJOYUOUMETP-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO C[N@H+](CCCF)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390800015 923781958 /nfs/dbraw/zinc/78/19/58/923781958.db2.gz SIYLCDJHMLYOER-VIFPVBQESA-N 1 1 309.363 -1.693 20 0 DAADMO C[N@@H+](CCCF)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390800015 923781977 /nfs/dbraw/zinc/78/19/77/923781977.db2.gz SIYLCDJHMLYOER-VIFPVBQESA-N 1 1 309.363 -1.693 20 0 DAADMO Cc1ncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n1C ZINC001390811872 923782229 /nfs/dbraw/zinc/78/22/29/923782229.db2.gz ONUNZGNLEMBOOF-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n1C ZINC001390811872 923782238 /nfs/dbraw/zinc/78/22/38/923782238.db2.gz ONUNZGNLEMBOOF-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)n1C ZINC001390811871 923782352 /nfs/dbraw/zinc/78/23/52/923782352.db2.gz ONUNZGNLEMBOOF-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)n1C ZINC001390811871 923782363 /nfs/dbraw/zinc/78/23/63/923782363.db2.gz ONUNZGNLEMBOOF-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1ccccn1 ZINC001390795628 923782756 /nfs/dbraw/zinc/78/27/56/923782756.db2.gz RXZKGLONVNUTMQ-UHFFFAOYSA-N 1 1 315.399 -1.317 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccn1 ZINC001390795628 923782764 /nfs/dbraw/zinc/78/27/64/923782764.db2.gz RXZKGLONVNUTMQ-UHFFFAOYSA-N 1 1 315.399 -1.317 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCc3ncnn32)NC1=O ZINC001390795116 923782845 /nfs/dbraw/zinc/78/28/45/923782845.db2.gz CFESXXUUUGZUIV-QWRGUYRKSA-N 1 1 321.385 -1.163 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCc2n[nH]cc2C1)CC(=O)NC(N)=O ZINC001390840423 923784681 /nfs/dbraw/zinc/78/46/81/923784681.db2.gz XYSYPLRZFYAWOS-VIFPVBQESA-N 1 1 322.369 -1.243 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCc2n[nH]cc2C1)CC(=O)NC(N)=O ZINC001390840423 923784688 /nfs/dbraw/zinc/78/46/88/923784688.db2.gz XYSYPLRZFYAWOS-VIFPVBQESA-N 1 1 322.369 -1.243 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001390820611 923784882 /nfs/dbraw/zinc/78/48/82/923784882.db2.gz VWHPIMVOBGZXGL-GRYCIOLGSA-N 1 1 301.387 -1.057 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001390818046 923785593 /nfs/dbraw/zinc/78/55/93/923785593.db2.gz JWDQTTHMNSPHEN-SNVBAGLBSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001390818046 923785603 /nfs/dbraw/zinc/78/56/03/923785603.db2.gz JWDQTTHMNSPHEN-SNVBAGLBSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390817806 923785786 /nfs/dbraw/zinc/78/57/86/923785786.db2.gz ILHDIRSGBCSVEI-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001390817806 923785793 /nfs/dbraw/zinc/78/57/93/923785793.db2.gz ILHDIRSGBCSVEI-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001390819127 923785810 /nfs/dbraw/zinc/78/58/10/923785810.db2.gz OXTJUNFLDMROKR-LPEHRKFASA-N 1 1 300.359 -1.669 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001390819127 923785820 /nfs/dbraw/zinc/78/58/20/923785820.db2.gz OXTJUNFLDMROKR-LPEHRKFASA-N 1 1 300.359 -1.669 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001390819089 923786059 /nfs/dbraw/zinc/78/60/59/923786059.db2.gz OXTJUNFLDMROKR-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001390819089 923786071 /nfs/dbraw/zinc/78/60/71/923786071.db2.gz OXTJUNFLDMROKR-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001390825901 923786883 /nfs/dbraw/zinc/78/68/83/923786883.db2.gz VTWAZSKWJLLCMJ-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001390825901 923786896 /nfs/dbraw/zinc/78/68/96/923786896.db2.gz VTWAZSKWJLLCMJ-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390853012 923788052 /nfs/dbraw/zinc/78/80/52/923788052.db2.gz XNYUZWWBSBPHFE-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390853012 923788060 /nfs/dbraw/zinc/78/80/60/923788060.db2.gz XNYUZWWBSBPHFE-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001390865565 923788304 /nfs/dbraw/zinc/78/83/04/923788304.db2.gz WHOZBGIRWLXPJU-JTQLQIEISA-N 1 1 323.353 -1.574 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001390865565 923788314 /nfs/dbraw/zinc/78/83/14/923788314.db2.gz WHOZBGIRWLXPJU-JTQLQIEISA-N 1 1 323.353 -1.574 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001390866932 923789022 /nfs/dbraw/zinc/78/90/22/923789022.db2.gz VEACUGKPRHCKKK-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001390866932 923789030 /nfs/dbraw/zinc/78/90/30/923789030.db2.gz VEACUGKPRHCKKK-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@H]1CCOC1 ZINC001390863156 923790688 /nfs/dbraw/zinc/79/06/88/923790688.db2.gz JNCYYIWAVCHLTM-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390850722 923791349 /nfs/dbraw/zinc/79/13/49/923791349.db2.gz AFKAGZNHFDTAEY-UHFFFAOYSA-N 1 1 324.341 -2.103 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001390850722 923791361 /nfs/dbraw/zinc/79/13/61/923791361.db2.gz AFKAGZNHFDTAEY-UHFFFAOYSA-N 1 1 324.341 -2.103 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792426 /nfs/dbraw/zinc/79/24/26/923792426.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@@H](C)C(=O)NC ZINC001390913076 923792435 /nfs/dbraw/zinc/79/24/35/923792435.db2.gz ZTTKRYXZJUIUFF-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnc2c(c1)nnn2C)CC(N)=O ZINC001390951783 923793254 /nfs/dbraw/zinc/79/32/54/923793254.db2.gz GOOYEUMRUYTBEG-UHFFFAOYSA-N 1 1 305.342 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnc2c(c1)nnn2C)CC(N)=O ZINC001390951783 923793266 /nfs/dbraw/zinc/79/32/66/923793266.db2.gz GOOYEUMRUYTBEG-UHFFFAOYSA-N 1 1 305.342 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C[C@H](O)COC ZINC001390906199 923794301 /nfs/dbraw/zinc/79/43/01/923794301.db2.gz NOTCVWKITFLLMB-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H]1CCCN(C)C1=O ZINC001390958321 923795657 /nfs/dbraw/zinc/79/56/57/923795657.db2.gz CEYXMFPBYWDVFW-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NC(=O)NC ZINC001390956794 923796021 /nfs/dbraw/zinc/79/60/21/923796021.db2.gz BKNQVTNIEBQSRS-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(=O)NC(=O)NC ZINC001390956794 923796027 /nfs/dbraw/zinc/79/60/27/923796027.db2.gz BKNQVTNIEBQSRS-BDAKNGLRSA-N 1 1 313.358 -1.999 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@@H](O)COC ZINC001391019791 923796943 /nfs/dbraw/zinc/79/69/43/923796943.db2.gz CGWTYFUWUZJNQI-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001391006827 923797287 /nfs/dbraw/zinc/79/72/87/923797287.db2.gz AXOSFOOLQYVIIR-GFCCVEGCSA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)[C@H](C)C(=O)NC ZINC001391005915 923797734 /nfs/dbraw/zinc/79/77/34/923797734.db2.gz VJYALQIZHAZDGG-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)[C@H](C)C(=O)NC ZINC001391005915 923797740 /nfs/dbraw/zinc/79/77/40/923797740.db2.gz VJYALQIZHAZDGG-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@H+](CCNC(=O)CCc1cn[nH]c1)CC(=O)NC(N)=O ZINC001390989153 923797890 /nfs/dbraw/zinc/79/78/90/923797890.db2.gz ZFMLNJCLDZGTKO-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)CCc1cn[nH]c1)CC(=O)NC(N)=O ZINC001390989153 923797897 /nfs/dbraw/zinc/79/78/97/923797897.db2.gz ZFMLNJCLDZGTKO-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001391048518 923798160 /nfs/dbraw/zinc/79/81/60/923798160.db2.gz FJCSOYFZWLUQRZ-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001391048518 923798170 /nfs/dbraw/zinc/79/81/70/923798170.db2.gz FJCSOYFZWLUQRZ-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001391029576 923799568 /nfs/dbraw/zinc/79/95/68/923799568.db2.gz KEUISKNRDPHXHE-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001391029576 923799575 /nfs/dbraw/zinc/79/95/75/923799575.db2.gz KEUISKNRDPHXHE-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391030723 923799648 /nfs/dbraw/zinc/79/96/48/923799648.db2.gz MZFRTIKQOFXBGH-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391030723 923799652 /nfs/dbraw/zinc/79/96/52/923799652.db2.gz MZFRTIKQOFXBGH-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H](C)C(=O)NC ZINC001390964919 923799688 /nfs/dbraw/zinc/79/96/88/923799688.db2.gz LQQSMYOXSOFASS-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H](C)C(=O)NC ZINC001390964919 923799693 /nfs/dbraw/zinc/79/96/93/923799693.db2.gz LQQSMYOXSOFASS-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001391057764 923800921 /nfs/dbraw/zinc/80/09/21/923800921.db2.gz RLMLRBPFXDUDQM-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001391084544 923802075 /nfs/dbraw/zinc/80/20/75/923802075.db2.gz MURQLABNUOFAFD-DCAQKATOSA-N 1 1 302.375 -1.511 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001391058566 923802313 /nfs/dbraw/zinc/80/23/13/923802313.db2.gz UNQXGLDCZHWHAE-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001391058566 923802319 /nfs/dbraw/zinc/80/23/19/923802319.db2.gz UNQXGLDCZHWHAE-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001391057219 923802926 /nfs/dbraw/zinc/80/29/26/923802926.db2.gz PJOLCSCEKTWGEH-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001391084328 923803016 /nfs/dbraw/zinc/80/30/16/923803016.db2.gz IVQGNXIXGBVLOH-SNVBAGLBSA-N 1 1 323.401 -1.106 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)S(C)(=O)=O ZINC001391057267 923803272 /nfs/dbraw/zinc/80/32/72/923803272.db2.gz PYDRBIOTTXDVDA-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)S(C)(=O)=O ZINC001391057267 923803283 /nfs/dbraw/zinc/80/32/83/923803283.db2.gz PYDRBIOTTXDVDA-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001391094997 923804341 /nfs/dbraw/zinc/80/43/41/923804341.db2.gz JKVQBYSMBXUXNE-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391098882 923804420 /nfs/dbraw/zinc/80/44/20/923804420.db2.gz NACOTJUYYVVYQB-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001391100084 923804587 /nfs/dbraw/zinc/80/45/87/923804587.db2.gz NMTLVADQBMZNLI-QWRGUYRKSA-N 1 1 324.385 -1.716 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@@H+](CCCO)C2)n1 ZINC001391088749 923805627 /nfs/dbraw/zinc/80/56/27/923805627.db2.gz XJPGTWYNKJXXGR-SNVBAGLBSA-N 1 1 310.358 -1.803 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001391098910 923805672 /nfs/dbraw/zinc/80/56/72/923805672.db2.gz LACXSYZPYZFOLD-ZJUUUORDSA-N 1 1 323.353 -1.739 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391089984 923805825 /nfs/dbraw/zinc/80/58/25/923805825.db2.gz ZVPJXGJVNWAQEM-SECBINFHSA-N 1 1 323.357 -2.439 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391093901 923806024 /nfs/dbraw/zinc/80/60/24/923806024.db2.gz PYEPTRUNESSROC-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001391094985 923807003 /nfs/dbraw/zinc/80/70/03/923807003.db2.gz JKVQBYSMBXUXNE-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001391091267 923807119 /nfs/dbraw/zinc/80/71/19/923807119.db2.gz DHXGGJALJJRALU-LLVKDONJSA-N 1 1 309.374 -1.355 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001391091889 923807379 /nfs/dbraw/zinc/80/73/79/923807379.db2.gz UOUHBFLHFLLMRI-QWRGUYRKSA-N 1 1 303.359 -1.212 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001391160653 923808797 /nfs/dbraw/zinc/80/87/97/923808797.db2.gz KJWXYXAJMWHPMR-SECBINFHSA-N 1 1 310.358 -1.662 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)NC ZINC001391134671 923808872 /nfs/dbraw/zinc/80/88/72/923808872.db2.gz GEDFTTSITFOLJB-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001391163289 923809057 /nfs/dbraw/zinc/80/90/57/923809057.db2.gz ZQSOMNVANXEACJ-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001391163289 923809080 /nfs/dbraw/zinc/80/90/80/923809080.db2.gz ZQSOMNVANXEACJ-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001391163283 923809861 /nfs/dbraw/zinc/80/98/61/923809861.db2.gz ZNPYLQHKICQBCY-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1ncn(C)n1)C1CC1 ZINC001391163283 923809869 /nfs/dbraw/zinc/80/98/69/923809869.db2.gz ZNPYLQHKICQBCY-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCNC(=O)C1)CC(=O)NC ZINC001391136699 923809896 /nfs/dbraw/zinc/80/98/96/923809896.db2.gz QIFBSQZHGYSAIB-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC(=O)NC ZINC001391136699 923809901 /nfs/dbraw/zinc/80/99/01/923809901.db2.gz QIFBSQZHGYSAIB-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C)C1=O ZINC001391136316 923810035 /nfs/dbraw/zinc/81/00/35/923810035.db2.gz IVERQKAIHRZFTP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cncnc1)C1CC1 ZINC001391154786 923810279 /nfs/dbraw/zinc/81/02/79/923810279.db2.gz ATOPEFPNNQEJRM-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cncnc1)C1CC1 ZINC001391154786 923810287 /nfs/dbraw/zinc/81/02/87/923810287.db2.gz ATOPEFPNNQEJRM-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC001391169515 923812425 /nfs/dbraw/zinc/81/24/25/923812425.db2.gz DPFQKBZXEYUQQH-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001391179933 923812715 /nfs/dbraw/zinc/81/27/15/923812715.db2.gz JVUBYSMGFMDPIU-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001391179933 923812725 /nfs/dbraw/zinc/81/27/25/923812725.db2.gz JVUBYSMGFMDPIU-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001391175831 923812989 /nfs/dbraw/zinc/81/29/89/923812989.db2.gz YOSAVANKRQZSRM-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001391175831 923812999 /nfs/dbraw/zinc/81/29/99/923812999.db2.gz YOSAVANKRQZSRM-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](CCn1cncn1)C1CC1 ZINC001391190484 923813639 /nfs/dbraw/zinc/81/36/39/923813639.db2.gz ILOXQXJVVYAAAV-NEPJUHHUSA-N 1 1 306.370 -1.020 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391197198 923814848 /nfs/dbraw/zinc/81/48/48/923814848.db2.gz LQYXUJIZDPRXGE-NWDGAFQWSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001391197198 923814857 /nfs/dbraw/zinc/81/48/57/923814857.db2.gz LQYXUJIZDPRXGE-NWDGAFQWSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001391212808 923816392 /nfs/dbraw/zinc/81/63/92/923816392.db2.gz URRZEWNGZLAFPA-GXSJLCMTSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@@H](CNC(=O)c1cnon1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001391212808 923816401 /nfs/dbraw/zinc/81/64/01/923816401.db2.gz URRZEWNGZLAFPA-GXSJLCMTSA-N 1 1 311.342 -1.118 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001391197200 923816721 /nfs/dbraw/zinc/81/67/21/923816721.db2.gz LQYXUJIZDPRXGE-RYUDHWBXSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001391197200 923816732 /nfs/dbraw/zinc/81/67/32/923816732.db2.gz LQYXUJIZDPRXGE-RYUDHWBXSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001391216189 923818160 /nfs/dbraw/zinc/81/81/60/923818160.db2.gz YFAGSGFSYAWWNP-QWRGUYRKSA-N 1 1 324.385 -1.454 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001391216189 923818170 /nfs/dbraw/zinc/81/81/70/923818170.db2.gz YFAGSGFSYAWWNP-QWRGUYRKSA-N 1 1 324.385 -1.454 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001391218233 923819176 /nfs/dbraw/zinc/81/91/76/923819176.db2.gz YHCAVXWWVQRZLG-APPZFPTMSA-N 1 1 323.357 -1.180 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391258687 923822326 /nfs/dbraw/zinc/82/23/26/923822326.db2.gz GSIBWPYCNXRXNU-QWRGUYRKSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001391254843 923822394 /nfs/dbraw/zinc/82/23/94/923822394.db2.gz OQQBIJYOBLGGMG-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001391324727 923825583 /nfs/dbraw/zinc/82/55/83/923825583.db2.gz HJPPEKVCDSNWGL-NSHDSACASA-N 1 1 321.381 -1.032 20 0 DAADMO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001391315689 923826206 /nfs/dbraw/zinc/82/62/06/923826206.db2.gz ZACISLHYBCNVBV-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001391309482 923826245 /nfs/dbraw/zinc/82/62/45/923826245.db2.gz QCSXFVUHXAIAHM-SECBINFHSA-N 1 1 320.357 -1.103 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001391330135 923826941 /nfs/dbraw/zinc/82/69/41/923826941.db2.gz CCHWSXPVPXZGNB-SNVBAGLBSA-N 1 1 310.358 -1.803 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CCNC(N)=O)C1)[C@H]1CCNC1=O ZINC001391362724 923827679 /nfs/dbraw/zinc/82/76/79/923827679.db2.gz ZCABRJLGQHQHPO-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1nonc1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001391350870 923828333 /nfs/dbraw/zinc/82/83/33/923828333.db2.gz BQSFXIAJKZCYJN-SECBINFHSA-N 1 1 324.341 -1.033 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001391375656 923828508 /nfs/dbraw/zinc/82/85/08/923828508.db2.gz PTHHTRAVSSOHLE-HBNTYKKESA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001391375656 923828520 /nfs/dbraw/zinc/82/85/20/923828520.db2.gz PTHHTRAVSSOHLE-HBNTYKKESA-N 1 1 311.386 -1.098 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CCNC(N)=O)C1)[C@H]1CCNC1=O ZINC001391362722 923829853 /nfs/dbraw/zinc/82/98/53/923829853.db2.gz ZCABRJLGQHQHPO-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001391347599 923829886 /nfs/dbraw/zinc/82/98/86/923829886.db2.gz PXRRGKLDNVEPCZ-MNOVXSKESA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001391344056 923829969 /nfs/dbraw/zinc/82/99/69/923829969.db2.gz PKIDJBJKFMLVAQ-QWHCGFSZSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(NCC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001391337958 923830287 /nfs/dbraw/zinc/83/02/87/923830287.db2.gz NPMOQSIGIZCSSZ-QWRGUYRKSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001391449439 923840307 /nfs/dbraw/zinc/84/03/07/923840307.db2.gz QSRTXFBHEWBGQB-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001391493648 923846549 /nfs/dbraw/zinc/84/65/49/923846549.db2.gz SNHBTINHTALHRA-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO Cn1cnn(CC(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)c1=O ZINC001391488444 923847490 /nfs/dbraw/zinc/84/74/90/923847490.db2.gz FEGRAJZVHNMLCI-LLVKDONJSA-N 1 1 322.369 -2.140 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@]3(C)CCC(=O)N3)C2)C1=O ZINC001391500956 923848783 /nfs/dbraw/zinc/84/87/83/923848783.db2.gz DZMOOYIEPLJLNZ-NHYWBVRUSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnnc1CN1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001391510481 923849551 /nfs/dbraw/zinc/84/95/51/923849551.db2.gz QTUPLUHUXOAFPI-UHFFFAOYSA-N 1 1 323.401 -1.520 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001391503819 923849574 /nfs/dbraw/zinc/84/95/74/923849574.db2.gz FKLMOJHHMXBZNY-JTQLQIEISA-N 1 1 311.386 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)NC1 ZINC001391537199 923852131 /nfs/dbraw/zinc/85/21/31/923852131.db2.gz OIKFOWIJSSFLCC-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)NC(N)=O ZINC001391531625 923853257 /nfs/dbraw/zinc/85/32/57/923853257.db2.gz RPYAJUXTUQWEDF-BJDJZHNGSA-N 1 1 314.386 -1.274 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001391532421 923853592 /nfs/dbraw/zinc/85/35/92/923853592.db2.gz ZXCDUPSUITTXFJ-QWRGUYRKSA-N 1 1 320.415 -1.998 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001391532421 923853606 /nfs/dbraw/zinc/85/36/06/923853606.db2.gz ZXCDUPSUITTXFJ-QWRGUYRKSA-N 1 1 320.415 -1.998 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001391545474 923855131 /nfs/dbraw/zinc/85/51/31/923855131.db2.gz BMMABXBYMGRQCG-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001391544866 923855167 /nfs/dbraw/zinc/85/51/67/923855167.db2.gz NCWHZQGXLCFDDR-DCAQKATOSA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391561120 923855288 /nfs/dbraw/zinc/85/52/88/923855288.db2.gz LGSHFZBVLZFXAP-MNOVXSKESA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391561120 923855289 /nfs/dbraw/zinc/85/52/89/923855289.db2.gz LGSHFZBVLZFXAP-MNOVXSKESA-N 1 1 307.354 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(=O)N1 ZINC001391538591 923855355 /nfs/dbraw/zinc/85/53/55/923855355.db2.gz CJLCWMJONIPESR-VOAKCMCISA-N 1 1 311.382 -1.053 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001391542341 923855402 /nfs/dbraw/zinc/85/54/02/923855402.db2.gz ZCJNOKDJKGZCNT-SRVKXCTJSA-N 1 1 310.358 -1.644 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001391551053 923855648 /nfs/dbraw/zinc/85/56/48/923855648.db2.gz VWKNBEQDFDYJOL-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001391551053 923855657 /nfs/dbraw/zinc/85/56/57/923855657.db2.gz VWKNBEQDFDYJOL-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(=O)NC1 ZINC001391537209 923855797 /nfs/dbraw/zinc/85/57/97/923855797.db2.gz OIKFOWIJSSFLCC-ZDEQEGDKSA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(=O)N1 ZINC001391538586 923855835 /nfs/dbraw/zinc/85/58/35/923855835.db2.gz CJLCWMJONIPESR-CYDGBPFRSA-N 1 1 311.382 -1.053 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001391551052 923856317 /nfs/dbraw/zinc/85/63/17/923856317.db2.gz VWKNBEQDFDYJOL-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001391551052 923856333 /nfs/dbraw/zinc/85/63/33/923856333.db2.gz VWKNBEQDFDYJOL-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001391538092 923856797 /nfs/dbraw/zinc/85/67/97/923856797.db2.gz WMDFMWXZCZFLEL-GUBZILKMSA-N 1 1 306.388 -2.294 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)NC1 ZINC001391537205 923857860 /nfs/dbraw/zinc/85/78/60/923857860.db2.gz OIKFOWIJSSFLCC-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001391580298 923860120 /nfs/dbraw/zinc/86/01/20/923860120.db2.gz LLGLLXVIONYGBS-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1)C(N)=O ZINC001391562559 923860279 /nfs/dbraw/zinc/86/02/79/923860279.db2.gz UHEDQEGRDJVCEU-LSJOCFKGSA-N 1 1 300.359 -2.062 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391574973 923860372 /nfs/dbraw/zinc/86/03/72/923860372.db2.gz ASWXVVDBFYMZKN-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391574973 923860387 /nfs/dbraw/zinc/86/03/87/923860387.db2.gz ASWXVVDBFYMZKN-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001391587996 923860462 /nfs/dbraw/zinc/86/04/62/923860462.db2.gz WEJKMNBCPCCWBG-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001391582616 923861408 /nfs/dbraw/zinc/86/14/08/923861408.db2.gz YAYZDJCEXWZCQO-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001391582616 923861410 /nfs/dbraw/zinc/86/14/10/923861410.db2.gz YAYZDJCEXWZCQO-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001391565600 923861421 /nfs/dbraw/zinc/86/14/21/923861421.db2.gz WDCGFCZVXUHNTO-GUBZILKMSA-N 1 1 314.342 -2.218 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001391588483 923861445 /nfs/dbraw/zinc/86/14/45/923861445.db2.gz QCNISRDODZCKOS-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001391608485 923862866 /nfs/dbraw/zinc/86/28/66/923862866.db2.gz HSCXFKBHILPEKK-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001391611383 923863707 /nfs/dbraw/zinc/86/37/07/923863707.db2.gz ODJOIRZELCLFDE-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001391612548 923864553 /nfs/dbraw/zinc/86/45/53/923864553.db2.gz GAAYALWFNOHDOV-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001391602247 923865062 /nfs/dbraw/zinc/86/50/62/923865062.db2.gz KRJBSXOXYVVZLV-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391621579 923865404 /nfs/dbraw/zinc/86/54/04/923865404.db2.gz MEYCTSCFJPZYBV-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001391608523 923865490 /nfs/dbraw/zinc/86/54/90/923865490.db2.gz FVDDBPPOQVUBOT-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001391608523 923865505 /nfs/dbraw/zinc/86/55/05/923865505.db2.gz FVDDBPPOQVUBOT-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001391604223 923866071 /nfs/dbraw/zinc/86/60/71/923866071.db2.gz UFRIZTLRVYRALZ-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391639241 923867866 /nfs/dbraw/zinc/86/78/66/923867866.db2.gz FTZJBMKZWVYRJL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnn(CC)n1 ZINC001391661071 923868151 /nfs/dbraw/zinc/86/81/51/923868151.db2.gz RRAUXRHBXRMJOM-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391639236 923868235 /nfs/dbraw/zinc/86/82/35/923868235.db2.gz FTVCIEAVXKCWSJ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001391630164 923869208 /nfs/dbraw/zinc/86/92/08/923869208.db2.gz UHVRSKKDPXREAY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001391630164 923869214 /nfs/dbraw/zinc/86/92/14/923869214.db2.gz UHVRSKKDPXREAY-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001391641068 923869709 /nfs/dbraw/zinc/86/97/09/923869709.db2.gz JESGMUCRSZXYHG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001391641068 923869718 /nfs/dbraw/zinc/86/97/18/923869718.db2.gz JESGMUCRSZXYHG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001391696671 923872321 /nfs/dbraw/zinc/87/23/21/923872321.db2.gz IQGNLAFTBMKYEU-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001391875579 923879520 /nfs/dbraw/zinc/87/95/20/923879520.db2.gz XPJHFIYVHRNYCU-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001391862606 923881340 /nfs/dbraw/zinc/88/13/40/923881340.db2.gz PKMZCPIBPUPTEF-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001391875576 923881632 /nfs/dbraw/zinc/88/16/32/923881632.db2.gz XPJHFIYVHRNYCU-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)Cn2ncn(C)c2=O)o1 ZINC001391918674 923883521 /nfs/dbraw/zinc/88/35/21/923883521.db2.gz KWUOSAGZFWIWIM-SECBINFHSA-N 1 1 323.357 -1.185 20 0 DAADMO C[C@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1nnn(C)n1 ZINC001391899141 923884174 /nfs/dbraw/zinc/88/41/74/923884174.db2.gz HVEBBNLDUXHIGV-JTQLQIEISA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001391930574 923886989 /nfs/dbraw/zinc/88/69/89/923886989.db2.gz NBYQUBQHQWFZSM-SECBINFHSA-N 1 1 310.358 -1.250 20 0 DAADMO CC(F)(F)C(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001391974748 923890641 /nfs/dbraw/zinc/89/06/41/923890641.db2.gz IMXFAPYVGDPQPG-SNVBAGLBSA-N 1 1 323.340 -1.043 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976103 923893353 /nfs/dbraw/zinc/89/33/53/923893353.db2.gz IFUQSSCMZXJOKY-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976103 923893365 /nfs/dbraw/zinc/89/33/65/923893365.db2.gz IFUQSSCMZXJOKY-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001391989896 923898284 /nfs/dbraw/zinc/89/82/84/923898284.db2.gz PDSVNQFDFMJOKF-VXGBXAGGSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)CCO1 ZINC001391994203 923901635 /nfs/dbraw/zinc/90/16/35/923901635.db2.gz VHHFVDPIUBNCLR-ZYHUDNBSSA-N 1 1 309.370 -1.118 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001391991315 923902165 /nfs/dbraw/zinc/90/21/65/923902165.db2.gz UILXRSBQOPEIHK-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001391991315 923902179 /nfs/dbraw/zinc/90/21/79/923902179.db2.gz UILXRSBQOPEIHK-RYUDHWBXSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001392003694 923904512 /nfs/dbraw/zinc/90/45/12/923904512.db2.gz KCJICRUQJDZVOG-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1([NH2+]Cc2nnnn2C)CCCC1 ZINC001392006694 923905616 /nfs/dbraw/zinc/90/56/16/923905616.db2.gz ZOJHEQKRZIAAAF-VIFPVBQESA-N 1 1 324.389 -1.215 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392008898 923906796 /nfs/dbraw/zinc/90/67/96/923906796.db2.gz KEPXXOIZWQGUFZ-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392008898 923906811 /nfs/dbraw/zinc/90/68/11/923906811.db2.gz KEPXXOIZWQGUFZ-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392041479 923918233 /nfs/dbraw/zinc/91/82/33/923918233.db2.gz PSTPYFMOISHKJG-ONGXEEELSA-N 1 1 323.353 -1.929 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001392047108 923919163 /nfs/dbraw/zinc/91/91/63/923919163.db2.gz VOPJEWFWONEVIE-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1ccn[nH]1 ZINC001392054369 923922125 /nfs/dbraw/zinc/92/21/25/923922125.db2.gz XFJAGPISVRNUNY-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001392090160 923929363 /nfs/dbraw/zinc/92/93/63/923929363.db2.gz WMHDEDHVNDSWLN-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001392093880 923929473 /nfs/dbraw/zinc/92/94/73/923929473.db2.gz NVEVHKZFSBOHLR-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001392098217 923932036 /nfs/dbraw/zinc/93/20/36/923932036.db2.gz JJOFIVMWYGRYRI-HUBLWGQQSA-N 1 1 322.365 -1.179 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001392112408 923933943 /nfs/dbraw/zinc/93/39/43/923933943.db2.gz IZYPIGKJZHKNMB-ZANVPECISA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392101657 923934086 /nfs/dbraw/zinc/93/40/86/923934086.db2.gz BFNBHUUYGAWINY-IUCAKERBSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392101654 923935448 /nfs/dbraw/zinc/93/54/48/923935448.db2.gz BFNBHUUYGAWINY-BDAKNGLRSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001392100462 923936090 /nfs/dbraw/zinc/93/60/90/923936090.db2.gz NEWGSYTYNVUBJH-MRVPVSSYSA-N 1 1 320.357 -1.113 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392152159 923943388 /nfs/dbraw/zinc/94/33/88/923943388.db2.gz NQMIFOAZEVXKAE-ONGXEEELSA-N 1 1 324.385 -1.338 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001392211412 923949221 /nfs/dbraw/zinc/94/92/21/923949221.db2.gz BGZHDIZZJQKEGY-QWRGUYRKSA-N 1 1 323.401 -1.033 20 0 DAADMO CC(C)[C@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001392239469 923950990 /nfs/dbraw/zinc/95/09/90/923950990.db2.gz BAUMZDMSOPLGQR-VIFPVBQESA-N 1 1 307.362 -1.199 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392258645 923951171 /nfs/dbraw/zinc/95/11/71/923951171.db2.gz DCWHYWJAVQMRHG-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392258645 923951187 /nfs/dbraw/zinc/95/11/87/923951187.db2.gz DCWHYWJAVQMRHG-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392262302 923951822 /nfs/dbraw/zinc/95/18/22/923951822.db2.gz CCLALJHOMQDLNA-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392259695 923952045 /nfs/dbraw/zinc/95/20/45/923952045.db2.gz MLDGRIYYJHCERS-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392259695 923952051 /nfs/dbraw/zinc/95/20/51/923952051.db2.gz MLDGRIYYJHCERS-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392263702 923952535 /nfs/dbraw/zinc/95/25/35/923952535.db2.gz MHPKWOIGTXXPBH-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392263702 923952543 /nfs/dbraw/zinc/95/25/43/923952543.db2.gz MHPKWOIGTXXPBH-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)CC1CC1)C(=O)Cn1cnnn1 ZINC001392259158 923953265 /nfs/dbraw/zinc/95/32/65/923953265.db2.gz HSRIRNHLPHDZCI-UHFFFAOYSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)CC1CC1)C(=O)Cn1cnnn1 ZINC001392259158 923953273 /nfs/dbraw/zinc/95/32/73/923953273.db2.gz HSRIRNHLPHDZCI-UHFFFAOYSA-N 1 1 323.401 -1.068 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001392278813 923955127 /nfs/dbraw/zinc/95/51/27/923955127.db2.gz VIGWEVIFUCEKNU-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001392278813 923955144 /nfs/dbraw/zinc/95/51/44/923955144.db2.gz VIGWEVIFUCEKNU-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001392287016 923955565 /nfs/dbraw/zinc/95/55/65/923955565.db2.gz BMGIBBUPSJCEQV-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001392287016 923955575 /nfs/dbraw/zinc/95/55/75/923955575.db2.gz BMGIBBUPSJCEQV-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392267632 923956729 /nfs/dbraw/zinc/95/67/29/923956729.db2.gz GVFXTJFJRCEIMG-PSASIEDQSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392267632 923956739 /nfs/dbraw/zinc/95/67/39/923956739.db2.gz GVFXTJFJRCEIMG-PSASIEDQSA-N 1 1 311.342 -1.057 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001392287479 923956909 /nfs/dbraw/zinc/95/69/09/923956909.db2.gz CUPLYJVIGQIDAY-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001392287479 923956920 /nfs/dbraw/zinc/95/69/20/923956920.db2.gz CUPLYJVIGQIDAY-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392264011 923957546 /nfs/dbraw/zinc/95/75/46/923957546.db2.gz QSFZTJOCWSWEQG-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392264011 923957560 /nfs/dbraw/zinc/95/75/60/923957560.db2.gz QSFZTJOCWSWEQG-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392308543 923959360 /nfs/dbraw/zinc/95/93/60/923959360.db2.gz PWVBVYIGZVWAAT-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392308543 923959370 /nfs/dbraw/zinc/95/93/70/923959370.db2.gz PWVBVYIGZVWAAT-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO Cc1nc(C(=O)N(C)CC[N@@H+](C)CCO)nn1-c1nc[nH]n1 ZINC001392297592 923959660 /nfs/dbraw/zinc/95/96/60/923959660.db2.gz XYWPVAKJTWPOBG-UHFFFAOYSA-N 1 1 308.346 -1.310 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001392298497 923959835 /nfs/dbraw/zinc/95/98/35/923959835.db2.gz ACWXPVWQYHEBRV-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001392298497 923959844 /nfs/dbraw/zinc/95/98/44/923959844.db2.gz ACWXPVWQYHEBRV-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)CN1CCNC(=O)C1 ZINC001392300168 923960139 /nfs/dbraw/zinc/96/01/39/923960139.db2.gz IVMKJJIYKNCQBY-UHFFFAOYSA-N 1 1 323.401 -1.900 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001392309260 923960187 /nfs/dbraw/zinc/96/01/87/923960187.db2.gz FTGFTFPMEFRZNC-JTQLQIEISA-N 1 1 312.370 -1.531 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001392309262 923960800 /nfs/dbraw/zinc/96/08/00/923960800.db2.gz FTGFTFPMEFRZNC-SNVBAGLBSA-N 1 1 312.370 -1.531 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001392316039 923962767 /nfs/dbraw/zinc/96/27/67/923962767.db2.gz WMZOLQVBYFAVPH-UHFFFAOYSA-N 1 1 312.370 -1.530 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001392322432 923962820 /nfs/dbraw/zinc/96/28/20/923962820.db2.gz WWVGEYIFMNWUAM-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@@H+](C)[C@H]2CCNC2=O)c(=O)n1C ZINC001392322432 923962827 /nfs/dbraw/zinc/96/28/27/923962827.db2.gz WWVGEYIFMNWUAM-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)Cn1cncn1 ZINC001392323568 923963008 /nfs/dbraw/zinc/96/30/08/923963008.db2.gz BBZKKUOVJDMLOG-UHFFFAOYSA-N 1 1 324.385 -1.473 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)Cn1cncn1 ZINC001392323568 923963020 /nfs/dbraw/zinc/96/30/20/923963020.db2.gz BBZKKUOVJDMLOG-UHFFFAOYSA-N 1 1 324.385 -1.473 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1nc[nH]n1 ZINC001392312547 923963068 /nfs/dbraw/zinc/96/30/68/923963068.db2.gz MTBJPCKLOVRTSG-UHFFFAOYSA-N 1 1 310.358 -1.333 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1nc[nH]n1 ZINC001392312547 923963076 /nfs/dbraw/zinc/96/30/76/923963076.db2.gz MTBJPCKLOVRTSG-UHFFFAOYSA-N 1 1 310.358 -1.333 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CC1CC1 ZINC001392320545 923963564 /nfs/dbraw/zinc/96/35/64/923963564.db2.gz UKHMAIVZYLQTKD-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392355130 923968406 /nfs/dbraw/zinc/96/84/06/923968406.db2.gz ZIZQOWRLDRTOSW-IEBDPFPHSA-N 1 1 307.354 -1.066 20 0 DAADMO C[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392356117 923969225 /nfs/dbraw/zinc/96/92/25/923969225.db2.gz YOOBLMCDBKFFAI-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392356118 923969562 /nfs/dbraw/zinc/96/95/62/923969562.db2.gz YOOBLMCDBKFFAI-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)nn1 ZINC001392350740 923970246 /nfs/dbraw/zinc/97/02/46/923970246.db2.gz JTNSFWIBUSGZMX-LBPRGKRZSA-N 1 1 324.385 -1.513 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001392357092 923971484 /nfs/dbraw/zinc/97/14/84/923971484.db2.gz JIPSFYXASMYUES-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001392359582 923971771 /nfs/dbraw/zinc/97/17/71/923971771.db2.gz BFMLCKZRKYEZMZ-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1=COCCO1)c1nnnn1C ZINC001392356698 923972466 /nfs/dbraw/zinc/97/24/66/923972466.db2.gz ZMQTYCYWSPECJC-DTWKUNHWSA-N 1 1 312.330 -1.774 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1=COCCO1)c1nnnn1C ZINC001392356702 923972811 /nfs/dbraw/zinc/97/28/11/923972811.db2.gz ZMQTYCYWSPECJC-RKDXNWHRSA-N 1 1 312.330 -1.774 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cocn1 ZINC001392360374 923972872 /nfs/dbraw/zinc/97/28/72/923972872.db2.gz DKIMMUGTIZDLST-VIFPVBQESA-N 1 1 309.330 -1.048 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392357994 923973008 /nfs/dbraw/zinc/97/30/08/923973008.db2.gz AQJJJFCCEPKLPC-NXEZZACHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001392358872 923973033 /nfs/dbraw/zinc/97/30/33/923973033.db2.gz NBFISDBICYCRDU-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cocn1 ZINC001392360284 923973216 /nfs/dbraw/zinc/97/32/16/923973216.db2.gz DKIMMUGTIZDLST-SECBINFHSA-N 1 1 309.330 -1.048 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)no1 ZINC001392362362 923974132 /nfs/dbraw/zinc/97/41/32/923974132.db2.gz FFCQRUWRAYDKTJ-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001392361957 923974464 /nfs/dbraw/zinc/97/44/64/923974464.db2.gz DBNUKMLNFVDJSB-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001392364509 923974621 /nfs/dbraw/zinc/97/46/21/923974621.db2.gz LJSCBMFWEGQBNU-NWDGAFQWSA-N 1 1 312.374 -2.288 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@@H]1CCNC(=O)C1 ZINC001392363280 923975245 /nfs/dbraw/zinc/97/52/45/923975245.db2.gz GSKFKKKDLLXXOB-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001392363226 923976359 /nfs/dbraw/zinc/97/63/59/923976359.db2.gz BYXGDIDFDGSXHY-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001392363134 923976456 /nfs/dbraw/zinc/97/64/56/923976456.db2.gz BTRWZONKVONHRX-LLVKDONJSA-N 1 1 305.342 -1.586 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001392363224 923976542 /nfs/dbraw/zinc/97/65/42/923976542.db2.gz BYXGDIDFDGSXHY-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001392363198 923976861 /nfs/dbraw/zinc/97/68/61/923976861.db2.gz BYXGDIDFDGSXHY-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)co1 ZINC001392367291 923978410 /nfs/dbraw/zinc/97/84/10/923978410.db2.gz OEFZHJJLGIJFDU-ZDUSSCGKSA-N 1 1 312.370 -1.118 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001392365899 923979572 /nfs/dbraw/zinc/97/95/72/923979572.db2.gz KXUCLTOXZLZSHX-IUCAKERBSA-N 1 1 312.330 -2.270 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392366912 923979644 /nfs/dbraw/zinc/97/96/44/923979644.db2.gz QQLKKTAWJZQJDD-IUCAKERBSA-N 1 1 313.362 -2.136 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001392367316 923980357 /nfs/dbraw/zinc/98/03/57/923980357.db2.gz RSTHCUFUNXFMTN-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nncn2C)n1 ZINC001392368837 923984005 /nfs/dbraw/zinc/98/40/05/923984005.db2.gz IZFSHPJXQMHWMW-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392375122 923984715 /nfs/dbraw/zinc/98/47/15/923984715.db2.gz NFGZLRHSWGYSGA-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001392375127 923986172 /nfs/dbraw/zinc/98/61/72/923986172.db2.gz NFGZLRHSWGYSGA-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392370950 923986466 /nfs/dbraw/zinc/98/64/66/923986466.db2.gz BAXIRROISQXTAB-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)o1 ZINC001392370980 923986773 /nfs/dbraw/zinc/98/67/73/923986773.db2.gz BFXYSGRDBNVRSO-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392370830 923987121 /nfs/dbraw/zinc/98/71/21/923987121.db2.gz ANRRRFKSVUDLIG-ZYHUDNBSSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1 ZINC001392376027 923988865 /nfs/dbraw/zinc/98/88/65/923988865.db2.gz FFZNEWJZXXPUDX-MWLCHTKSSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001392376689 923989172 /nfs/dbraw/zinc/98/91/72/923989172.db2.gz OQCSOQQKMSPWMF-VHSXEESVSA-N 1 1 314.346 -2.418 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1 ZINC001392376018 923990040 /nfs/dbraw/zinc/99/00/40/923990040.db2.gz FFZNEWJZXXPUDX-KOLCDFICSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001392379327 923991351 /nfs/dbraw/zinc/99/13/51/923991351.db2.gz DXVYXMPLIGPLBR-JTQLQIEISA-N 1 1 307.314 -1.809 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001392379284 923991418 /nfs/dbraw/zinc/99/14/18/923991418.db2.gz VFOUOIKDPOCQCN-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392379581 923991975 /nfs/dbraw/zinc/99/19/75/923991975.db2.gz YKHLJGHFXVJADS-VXGBXAGGSA-N 1 1 310.354 -1.151 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001392380219 923993360 /nfs/dbraw/zinc/99/33/60/923993360.db2.gz GTRXQJNFNUQJFR-IJLUTSLNSA-N 1 1 319.369 -1.091 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392379580 923993459 /nfs/dbraw/zinc/99/34/59/923993459.db2.gz YKHLJGHFXVJADS-RYUDHWBXSA-N 1 1 310.354 -1.151 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001392382335 923994889 /nfs/dbraw/zinc/99/48/89/923994889.db2.gz COPHFEVQGIRKJI-LLVKDONJSA-N 1 1 307.310 -1.351 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001392382526 923995685 /nfs/dbraw/zinc/99/56/85/923995685.db2.gz KHNDJWOKKAJKFL-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cncn1C)c1nncn1C ZINC001392386169 923997827 /nfs/dbraw/zinc/99/78/27/923997827.db2.gz KTNATIYNHXDAIP-NXEZZACHSA-N 1 1 307.358 -1.010 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001392385680 923998675 /nfs/dbraw/zinc/99/86/75/923998675.db2.gz ANKVSINQRVRMGU-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392386056 923998985 /nfs/dbraw/zinc/99/89/85/923998985.db2.gz ZGBCIUONGHBMBS-VHSXEESVSA-N 1 1 310.358 -2.140 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nc1 ZINC001392386462 923999013 /nfs/dbraw/zinc/99/90/13/923999013.db2.gz KNPDIGYDFPKFCW-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392386054 923999566 /nfs/dbraw/zinc/99/95/66/923999566.db2.gz ZGBCIUONGHBMBS-UWVGGRQHSA-N 1 1 310.358 -2.140 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1C ZINC001392387837 923999846 /nfs/dbraw/zinc/99/98/46/923999846.db2.gz AQCFOXSHYSHVMK-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)[nH]c1=O ZINC001392388348 924000124 /nfs/dbraw/zinc/00/01/24/924000124.db2.gz BQYAQGJNHMBACK-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1nnnn1C1CC1 ZINC001392389611 924001899 /nfs/dbraw/zinc/00/18/99/924001899.db2.gz IDTRPGLZGPQXTL-VXGBXAGGSA-N 1 1 323.401 -1.331 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)n2C)nn1 ZINC001392390787 924002160 /nfs/dbraw/zinc/00/21/60/924002160.db2.gz LRZJFEQZSXBGRT-SNVBAGLBSA-N 1 1 323.357 -1.382 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)n1 ZINC001392390005 924003435 /nfs/dbraw/zinc/00/34/35/924003435.db2.gz PIFWWFGIYRXZSP-RISCZKNCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)[nH]1 ZINC001392394019 924005128 /nfs/dbraw/zinc/00/51/28/924005128.db2.gz OYNSJOYMRFORGX-YGRLFVJLSA-N 1 1 324.385 -1.404 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nn1 ZINC001392395105 924005176 /nfs/dbraw/zinc/00/51/76/924005176.db2.gz GSQQEEWWXRYEAM-RYUDHWBXSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001392400228 924008656 /nfs/dbraw/zinc/00/86/56/924008656.db2.gz HZAWXKBWRSIZGZ-LPWJVIDDSA-N 1 1 309.370 -1.051 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)cc1=O ZINC001392408479 924016261 /nfs/dbraw/zinc/01/62/61/924016261.db2.gz IVBFQLZEMWLPGW-SNVBAGLBSA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)cc1=O ZINC001392408479 924016274 /nfs/dbraw/zinc/01/62/74/924016274.db2.gz IVBFQLZEMWLPGW-SNVBAGLBSA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cn[nH]c2)n1 ZINC001392408786 924016315 /nfs/dbraw/zinc/01/63/15/924016315.db2.gz LTSITTCUALKTRI-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccnnc2)n1 ZINC001392408383 924017773 /nfs/dbraw/zinc/01/77/73/924017773.db2.gz PFJATDMUUOPRMW-LBPRGKRZSA-N 1 1 305.342 -1.032 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)COc1cccnc1 ZINC001392412881 924019430 /nfs/dbraw/zinc/01/94/30/924019430.db2.gz YOPLNJGGCRHQOF-NSHDSACASA-N 1 1 320.353 -1.144 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccnnc1)c1nnnn1C ZINC001392411158 924019482 /nfs/dbraw/zinc/01/94/82/924019482.db2.gz YSBFOJMQDLQYIA-WCBMZHEXSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC1CCCC1 ZINC001392412539 924021105 /nfs/dbraw/zinc/02/11/05/924021105.db2.gz WQOFTCODEJWKAY-MWLCHTKSSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC1CCCC1 ZINC001392412539 924021120 /nfs/dbraw/zinc/02/11/20/924021120.db2.gz WQOFTCODEJWKAY-MWLCHTKSSA-N 1 1 324.385 -1.068 20 0 DAADMO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)ccc1=O ZINC001392419658 924024027 /nfs/dbraw/zinc/02/40/27/924024027.db2.gz GQZFIHJLQGTQGT-QMMMGPOBSA-N 1 1 324.366 -1.488 20 0 DAADMO Cn1nnnc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392417062 924024296 /nfs/dbraw/zinc/02/42/96/924024296.db2.gz BXOXBXVFJHNLKD-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392422255 924024453 /nfs/dbraw/zinc/02/44/53/924024453.db2.gz HTPMXUZFCBYZCM-SSDOTTSWSA-N 1 1 323.400 -2.346 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001392427792 924026328 /nfs/dbraw/zinc/02/63/28/924026328.db2.gz VOIZLOIKDQZQLM-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001392423332 924027774 /nfs/dbraw/zinc/02/77/74/924027774.db2.gz KTRCBEZTECITAJ-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)c1 ZINC001392427672 924028780 /nfs/dbraw/zinc/02/87/80/924028780.db2.gz UXKGMAWSAVHKBA-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1C ZINC001392430342 924031666 /nfs/dbraw/zinc/03/16/66/924031666.db2.gz QHJILXMOZIRCQY-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001392480199 924037239 /nfs/dbraw/zinc/03/72/39/924037239.db2.gz NGUYXJRUYZWOMX-MRVPVSSYSA-N 1 1 305.360 -1.397 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)Cn1ncnn1 ZINC001392474815 924037380 /nfs/dbraw/zinc/03/73/80/924037380.db2.gz DSSSMXMGWCHCOW-SNVBAGLBSA-N 1 1 319.373 -1.105 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001392486606 924037976 /nfs/dbraw/zinc/03/79/76/924037976.db2.gz OLUOVMUMEHJNCL-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001392497415 924039228 /nfs/dbraw/zinc/03/92/28/924039228.db2.gz MBIUYJGLBMVECZ-SSDOTTSWSA-N 1 1 306.348 -2.282 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001392489078 924039613 /nfs/dbraw/zinc/03/96/13/924039613.db2.gz XDXOKXRLBVWDAU-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001392498080 924040144 /nfs/dbraw/zinc/04/01/44/924040144.db2.gz REIQVWPGLUDVGG-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001392489499 924040166 /nfs/dbraw/zinc/04/01/66/924040166.db2.gz SRDNCEKQQCSRMD-MRVPVSSYSA-N 1 1 308.346 -1.697 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCCNC1=O ZINC001392492334 924040231 /nfs/dbraw/zinc/04/02/31/924040231.db2.gz NTCSHCIXRBNYBX-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001392489659 924041328 /nfs/dbraw/zinc/04/13/28/924041328.db2.gz MFXZLKHFKQKFOS-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)Cc1nnc[nH]1 ZINC001392526171 924042922 /nfs/dbraw/zinc/04/29/22/924042922.db2.gz SVPAOBIXXGPXCN-MNOVXSKESA-N 1 1 324.385 -1.406 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392520453 924044128 /nfs/dbraw/zinc/04/41/28/924044128.db2.gz WCUQVODMVOTKAV-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)c1nnn(C)n1 ZINC001392541872 924044857 /nfs/dbraw/zinc/04/48/57/924044857.db2.gz LSRSKKDEEUYYOY-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001392535354 924047218 /nfs/dbraw/zinc/04/72/18/924047218.db2.gz FGNMLEWBINAYKX-PSASIEDQSA-N 1 1 316.387 -1.899 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392588355 924051325 /nfs/dbraw/zinc/05/13/25/924051325.db2.gz BDLFBRICNFLVEQ-IUCAKERBSA-N 1 1 310.362 -1.641 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001392584425 924051523 /nfs/dbraw/zinc/05/15/23/924051523.db2.gz ZZHGBSSZUBAXGY-UWVGGRQHSA-N 1 1 323.401 -1.300 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001392584603 924052499 /nfs/dbraw/zinc/05/24/99/924052499.db2.gz HZQKBRKTWQFPRG-ZANVPECISA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392591409 924053465 /nfs/dbraw/zinc/05/34/65/924053465.db2.gz QDDKCJJSFIBRAQ-IUCAKERBSA-N 1 1 323.357 -1.916 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392643482 924058789 /nfs/dbraw/zinc/05/87/89/924058789.db2.gz LAVLILXMEZTFEV-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392643482 924058798 /nfs/dbraw/zinc/05/87/98/924058798.db2.gz LAVLILXMEZTFEV-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001392619139 924059275 /nfs/dbraw/zinc/05/92/75/924059275.db2.gz YAKIAGKPBWCCMY-DTWKUNHWSA-N 1 1 316.387 -1.899 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001392645032 924059298 /nfs/dbraw/zinc/05/92/98/924059298.db2.gz LFOVPDGUNPCJJD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001392645032 924059318 /nfs/dbraw/zinc/05/93/18/924059318.db2.gz LFOVPDGUNPCJJD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001392642398 924059539 /nfs/dbraw/zinc/05/95/39/924059539.db2.gz RSNFTDCNQGSVHX-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001392619148 924059795 /nfs/dbraw/zinc/05/97/95/924059795.db2.gz YAKIAGKPBWCCMY-IUCAKERBSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001392653109 924062919 /nfs/dbraw/zinc/06/29/19/924062919.db2.gz QQEYZUDVTKFDII-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001392653109 924062931 /nfs/dbraw/zinc/06/29/31/924062931.db2.gz QQEYZUDVTKFDII-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653671 924063823 /nfs/dbraw/zinc/06/38/23/924063823.db2.gz GBURQPMPELVVIS-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653671 924063840 /nfs/dbraw/zinc/06/38/40/924063840.db2.gz GBURQPMPELVVIS-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392693187 924065341 /nfs/dbraw/zinc/06/53/41/924065341.db2.gz OVBVNNPUZCEDOM-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392693187 924065349 /nfs/dbraw/zinc/06/53/49/924065349.db2.gz OVBVNNPUZCEDOM-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392687212 924066335 /nfs/dbraw/zinc/06/63/35/924066335.db2.gz QHWNNVRITOCQLB-MXWKQRLJSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392687212 924066343 /nfs/dbraw/zinc/06/63/43/924066343.db2.gz QHWNNVRITOCQLB-MXWKQRLJSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392687207 924067423 /nfs/dbraw/zinc/06/74/23/924067423.db2.gz QHWNNVRITOCQLB-AXFHLTTASA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392687207 924067431 /nfs/dbraw/zinc/06/74/31/924067431.db2.gz QHWNNVRITOCQLB-AXFHLTTASA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001392708700 924069957 /nfs/dbraw/zinc/06/99/57/924069957.db2.gz UZSFSVYABUCWDP-WDEREUQCSA-N 1 1 322.369 -1.292 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001392708683 924070687 /nfs/dbraw/zinc/07/06/87/924070687.db2.gz UZSFSVYABUCWDP-GHMZBOCLSA-N 1 1 322.369 -1.292 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001392734798 924071546 /nfs/dbraw/zinc/07/15/46/924071546.db2.gz OYFTWQFYXOOQNP-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001392734798 924071561 /nfs/dbraw/zinc/07/15/61/924071561.db2.gz OYFTWQFYXOOQNP-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001392729209 924071725 /nfs/dbraw/zinc/07/17/25/924071725.db2.gz PTEZQGPRABWKFS-UWVGGRQHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001392729209 924071735 /nfs/dbraw/zinc/07/17/35/924071735.db2.gz PTEZQGPRABWKFS-UWVGGRQHSA-N 1 1 322.369 -1.376 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC001392729749 924071798 /nfs/dbraw/zinc/07/17/98/924071798.db2.gz CLXFWIBRQPXZTE-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392727682 924071887 /nfs/dbraw/zinc/07/18/87/924071887.db2.gz ACWZJGGUEVCEFU-LPEHRKFASA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392727682 924071895 /nfs/dbraw/zinc/07/18/95/924071895.db2.gz ACWZJGGUEVCEFU-LPEHRKFASA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001392733668 924072506 /nfs/dbraw/zinc/07/25/06/924072506.db2.gz HRZPNHKDZVCZCA-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001392733668 924072514 /nfs/dbraw/zinc/07/25/14/924072514.db2.gz HRZPNHKDZVCZCA-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725758 924073449 /nfs/dbraw/zinc/07/34/49/924073449.db2.gz ISRBNMPJAVYVMO-WPRPVWTQSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725758 924073458 /nfs/dbraw/zinc/07/34/58/924073458.db2.gz ISRBNMPJAVYVMO-WPRPVWTQSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725747 924073522 /nfs/dbraw/zinc/07/35/22/924073522.db2.gz ISRBNMPJAVYVMO-SCZZXKLOSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725747 924073531 /nfs/dbraw/zinc/07/35/31/924073531.db2.gz ISRBNMPJAVYVMO-SCZZXKLOSA-N 1 1 323.357 -2.298 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001392724080 924073555 /nfs/dbraw/zinc/07/35/55/924073555.db2.gz FHLFANNOAWEEIA-GHMZBOCLSA-N 1 1 314.386 -1.219 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001392718841 924073607 /nfs/dbraw/zinc/07/36/07/924073607.db2.gz VBJYOPOOKPRAMS-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001392718841 924073617 /nfs/dbraw/zinc/07/36/17/924073617.db2.gz VBJYOPOOKPRAMS-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccnn1C ZINC001392730928 924073716 /nfs/dbraw/zinc/07/37/16/924073716.db2.gz FEXBBJUSYPXQAP-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccnn1C ZINC001392730928 924073726 /nfs/dbraw/zinc/07/37/26/924073726.db2.gz FEXBBJUSYPXQAP-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](NC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001392756200 924074202 /nfs/dbraw/zinc/07/42/02/924074202.db2.gz BSJYVDVNJSEMFN-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001392766202 924075339 /nfs/dbraw/zinc/07/53/39/924075339.db2.gz INMSZMRLSYOFBA-GHMZBOCLSA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001392777099 924077704 /nfs/dbraw/zinc/07/77/04/924077704.db2.gz RVFNFHCHQPGYQK-BDAKNGLRSA-N 1 1 309.330 -1.697 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392811594 924079046 /nfs/dbraw/zinc/07/90/46/924079046.db2.gz JEGDDJMTIVVTCO-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392811594 924079049 /nfs/dbraw/zinc/07/90/49/924079049.db2.gz JEGDDJMTIVVTCO-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001392800938 924079718 /nfs/dbraw/zinc/07/97/18/924079718.db2.gz VTXMEDHXWVRYQC-RYUDHWBXSA-N 1 1 321.385 -1.036 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001392797575 924079904 /nfs/dbraw/zinc/07/99/04/924079904.db2.gz ZEDDVFDDCIKLAL-OUAUKWLOSA-N 1 1 306.370 -1.079 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001392856052 924086453 /nfs/dbraw/zinc/08/64/53/924086453.db2.gz XKPLGLDPWBJVSX-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001392856052 924086464 /nfs/dbraw/zinc/08/64/64/924086464.db2.gz XKPLGLDPWBJVSX-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001392842554 924087038 /nfs/dbraw/zinc/08/70/38/924087038.db2.gz QFGSYYUOULSDIV-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001392863890 924089049 /nfs/dbraw/zinc/08/90/49/924089049.db2.gz FYGWJRBCCOVHKU-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001392863890 924089067 /nfs/dbraw/zinc/08/90/67/924089067.db2.gz FYGWJRBCCOVHKU-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001392863893 924090349 /nfs/dbraw/zinc/09/03/49/924090349.db2.gz FYGWJRBCCOVHKU-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001392863893 924090359 /nfs/dbraw/zinc/09/03/59/924090359.db2.gz FYGWJRBCCOVHKU-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001392880497 924092273 /nfs/dbraw/zinc/09/22/73/924092273.db2.gz RSLKCKXDSNUCGQ-SRVKXCTJSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001392920821 924096145 /nfs/dbraw/zinc/09/61/45/924096145.db2.gz UIVXINCZXPQFSF-QWRGUYRKSA-N 1 1 324.385 -1.846 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)NC[C@@H]1CCCO1 ZINC001392914642 924096486 /nfs/dbraw/zinc/09/64/86/924096486.db2.gz ZMSKKLHHMPEHSO-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)NC[C@@H]1CCCO1 ZINC001392944476 924097836 /nfs/dbraw/zinc/09/78/36/924097836.db2.gz VLONCQJYEZSLIR-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)NC[C@@H]1CCCO1 ZINC001392944476 924097849 /nfs/dbraw/zinc/09/78/49/924097849.db2.gz VLONCQJYEZSLIR-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001392945744 924098070 /nfs/dbraw/zinc/09/80/70/924098070.db2.gz GGRUQBMYKYPPJR-WCBMZHEXSA-N 1 1 308.342 -1.506 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)N1CCOCC1 ZINC001392943294 924099559 /nfs/dbraw/zinc/09/95/59/924099559.db2.gz SDPUWYWLMYLLIT-UHFFFAOYSA-N 1 1 308.342 -1.485 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)N1CCOCC1 ZINC001392943294 924099568 /nfs/dbraw/zinc/09/95/68/924099568.db2.gz SDPUWYWLMYLLIT-UHFFFAOYSA-N 1 1 308.342 -1.485 20 0 DAADMO NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001392976795 924102201 /nfs/dbraw/zinc/10/22/01/924102201.db2.gz XTHQIBSEDCAIMN-LBPRGKRZSA-N 1 1 323.397 -1.144 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001392988459 924104597 /nfs/dbraw/zinc/10/45/97/924104597.db2.gz LKRZTMHXWPZLGL-CQSZACIVSA-N 1 1 323.397 -1.135 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001392996043 924105014 /nfs/dbraw/zinc/10/50/14/924105014.db2.gz ZLZFRDKJCIPVQL-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001393012163 924107126 /nfs/dbraw/zinc/10/71/26/924107126.db2.gz SANWTCPDGNNKSV-SNVBAGLBSA-N 1 1 324.403 -2.810 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@H](C)OC)C1 ZINC001393010636 924107746 /nfs/dbraw/zinc/10/77/46/924107746.db2.gz IXQDRCHZSJTMMY-VIFPVBQESA-N 1 1 308.404 -1.782 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](C)OC)C1 ZINC001393010634 924108365 /nfs/dbraw/zinc/10/83/65/924108365.db2.gz IXQDRCHZSJTMMY-SECBINFHSA-N 1 1 308.404 -1.782 20 0 DAADMO CCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001393027915 924111098 /nfs/dbraw/zinc/11/10/98/924111098.db2.gz LWZQZMGAESFNDO-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001393027915 924111105 /nfs/dbraw/zinc/11/11/05/924111105.db2.gz LWZQZMGAESFNDO-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[NH+]1CCC(C)(NC(=O)Cn2cnnn2)CC1 ZINC001393057012 924112783 /nfs/dbraw/zinc/11/27/83/924112783.db2.gz SJRZTQMKRAFBHL-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO CC(=O)NCC(=O)NC1(C)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001393055394 924114408 /nfs/dbraw/zinc/11/44/08/924114408.db2.gz YFRJYIBEKHVQMC-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001393098560 924115931 /nfs/dbraw/zinc/11/59/31/924115931.db2.gz SFBQXACGDIITSH-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001393098549 924116854 /nfs/dbraw/zinc/11/68/54/924116854.db2.gz SFBQXACGDIITSH-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001393100355 924117119 /nfs/dbraw/zinc/11/71/19/924117119.db2.gz DXECMNZQQGMLPP-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCS(=O)(=O)NC)C1 ZINC001393100355 924117123 /nfs/dbraw/zinc/11/71/23/924117123.db2.gz DXECMNZQQGMLPP-GFCCVEGCSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393095803 924117619 /nfs/dbraw/zinc/11/76/19/924117619.db2.gz KZUZEBQQTQGLMC-AMIZOPFISA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393095803 924117627 /nfs/dbraw/zinc/11/76/27/924117627.db2.gz KZUZEBQQTQGLMC-AMIZOPFISA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393118815 924119948 /nfs/dbraw/zinc/11/99/48/924119948.db2.gz FBVPPECBHCDKOG-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393118815 924119956 /nfs/dbraw/zinc/11/99/56/924119956.db2.gz FBVPPECBHCDKOG-ZDUSSCGKSA-N 1 1 309.374 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001393117081 924120005 /nfs/dbraw/zinc/12/00/05/924120005.db2.gz VSTUQYXKTHJOAH-LLVKDONJSA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001393117081 924120010 /nfs/dbraw/zinc/12/00/10/924120010.db2.gz VSTUQYXKTHJOAH-LLVKDONJSA-N 1 1 321.403 -2.633 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117032 924120318 /nfs/dbraw/zinc/12/03/18/924120318.db2.gz AANYHIBJAIATFF-HZMBPMFUSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117032 924120324 /nfs/dbraw/zinc/12/03/24/924120324.db2.gz AANYHIBJAIATFF-HZMBPMFUSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393123585 924120485 /nfs/dbraw/zinc/12/04/85/924120485.db2.gz MEAFRICVEGEXEA-CQSZACIVSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393123585 924120495 /nfs/dbraw/zinc/12/04/95/924120495.db2.gz MEAFRICVEGEXEA-CQSZACIVSA-N 1 1 311.386 -1.142 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001393236661 924125016 /nfs/dbraw/zinc/12/50/16/924125016.db2.gz CPMVEMLMMBIYRD-QPUJVOFHSA-N 1 1 302.331 -2.231 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001393236661 924125021 /nfs/dbraw/zinc/12/50/21/924125021.db2.gz CPMVEMLMMBIYRD-QPUJVOFHSA-N 1 1 302.331 -2.231 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393233944 924125299 /nfs/dbraw/zinc/12/52/99/924125299.db2.gz JMAVNQIQDVJPPR-DZGCQCFKSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001393233944 924125308 /nfs/dbraw/zinc/12/53/08/924125308.db2.gz JMAVNQIQDVJPPR-DZGCQCFKSA-N 1 1 324.381 -1.112 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393235804 924125978 /nfs/dbraw/zinc/12/59/78/924125978.db2.gz BBVPNIGISFCLTL-YGRLFVJLSA-N 1 1 324.385 -1.446 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001393236660 924127062 /nfs/dbraw/zinc/12/70/62/924127062.db2.gz CPMVEMLMMBIYRD-PRHODGIISA-N 1 1 302.331 -2.231 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001393236660 924127069 /nfs/dbraw/zinc/12/70/69/924127069.db2.gz CPMVEMLMMBIYRD-PRHODGIISA-N 1 1 302.331 -2.231 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393240932 924128521 /nfs/dbraw/zinc/12/85/21/924128521.db2.gz LTRWAFFHXGDGOU-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393241711 924128724 /nfs/dbraw/zinc/12/87/24/924128724.db2.gz XVOBMXXSSNJNKR-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393241711 924128733 /nfs/dbraw/zinc/12/87/33/924128733.db2.gz XVOBMXXSSNJNKR-ZANVPECISA-N 1 1 314.342 -2.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001393241197 924128940 /nfs/dbraw/zinc/12/89/40/924128940.db2.gz RPKQQSKYCSQNMA-OAHLLOKOSA-N 1 1 323.397 -1.396 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001393241197 924128944 /nfs/dbraw/zinc/12/89/44/924128944.db2.gz RPKQQSKYCSQNMA-OAHLLOKOSA-N 1 1 323.397 -1.396 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393243864 924129298 /nfs/dbraw/zinc/12/92/98/924129298.db2.gz YMALSYSWYMPJTD-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393243864 924129306 /nfs/dbraw/zinc/12/93/06/924129306.db2.gz YMALSYSWYMPJTD-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393240390 924129345 /nfs/dbraw/zinc/12/93/45/924129345.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 1 1 314.386 -2.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393240390 924129350 /nfs/dbraw/zinc/12/93/50/924129350.db2.gz HCVGHVCDGSTEEG-BXUZGUMPSA-N 1 1 314.386 -2.384 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001393244192 924129450 /nfs/dbraw/zinc/12/94/50/924129450.db2.gz USGFSBIIYHPEMU-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001393244192 924129458 /nfs/dbraw/zinc/12/94/58/924129458.db2.gz USGFSBIIYHPEMU-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)on1 ZINC001393243246 924129591 /nfs/dbraw/zinc/12/95/91/924129591.db2.gz BUUMBVHFLNZFFI-SDBXPKJASA-N 1 1 312.326 -1.276 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)on1 ZINC001393243246 924129596 /nfs/dbraw/zinc/12/95/96/924129596.db2.gz BUUMBVHFLNZFFI-SDBXPKJASA-N 1 1 312.326 -1.276 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243297 924129715 /nfs/dbraw/zinc/12/97/15/924129715.db2.gz RARGQKXYOWROBF-WFASDCNBSA-N 1 1 323.397 -1.039 20 0 DAADMO CS[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393238562 924130383 /nfs/dbraw/zinc/13/03/83/924130383.db2.gz RPRYFHWYFGHYNX-UFBFGSQYSA-N 1 1 318.399 -1.514 20 0 DAADMO CS[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393238562 924130392 /nfs/dbraw/zinc/13/03/92/924130392.db2.gz RPRYFHWYFGHYNX-UFBFGSQYSA-N 1 1 318.399 -1.514 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244167 924130716 /nfs/dbraw/zinc/13/07/16/924130716.db2.gz PRDIEDKVVGKGRC-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244167 924130722 /nfs/dbraw/zinc/13/07/22/924130722.db2.gz PRDIEDKVVGKGRC-NHYWBVRUSA-N 1 1 320.349 -1.158 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001393241192 924131095 /nfs/dbraw/zinc/13/10/95/924131095.db2.gz RPKQQSKYCSQNMA-HNNXBMFYSA-N 1 1 323.397 -1.396 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001393241192 924131102 /nfs/dbraw/zinc/13/11/02/924131102.db2.gz RPKQQSKYCSQNMA-HNNXBMFYSA-N 1 1 323.397 -1.396 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001393244744 924132298 /nfs/dbraw/zinc/13/22/98/924132298.db2.gz VZCYIBWXSGDRCJ-YPMHNXCESA-N 1 1 312.374 -1.613 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249470 924132772 /nfs/dbraw/zinc/13/27/72/924132772.db2.gz VOYMQZMYAQHAGF-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249470 924132782 /nfs/dbraw/zinc/13/27/82/924132782.db2.gz VOYMQZMYAQHAGF-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244979 924133004 /nfs/dbraw/zinc/13/30/04/924133004.db2.gz TUHNRZXOMNBFMO-XPTSAGLGSA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001393244979 924133014 /nfs/dbraw/zinc/13/30/14/924133014.db2.gz TUHNRZXOMNBFMO-XPTSAGLGSA-N 1 1 322.369 -1.640 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001393244740 924133777 /nfs/dbraw/zinc/13/37/77/924133777.db2.gz VZCYIBWXSGDRCJ-DGCLKSJQSA-N 1 1 312.374 -1.613 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001393244263 924134013 /nfs/dbraw/zinc/13/40/13/924134013.db2.gz QJDQLDCGZGOYAA-OCCSQVGLSA-N 1 1 313.354 -1.223 20 0 DAADMO Cc1cn(C(C)(C)C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001393244987 924134067 /nfs/dbraw/zinc/13/40/67/924134067.db2.gz DRPFDYIEAXDWBF-HNNXBMFYSA-N 1 1 323.397 -1.035 20 0 DAADMO Cc1cn(C(C)(C)C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001393244987 924134073 /nfs/dbraw/zinc/13/40/73/924134073.db2.gz DRPFDYIEAXDWBF-HNNXBMFYSA-N 1 1 323.397 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244663 924134404 /nfs/dbraw/zinc/13/44/04/924134404.db2.gz UZMAAPCLPRIKOR-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244663 924134411 /nfs/dbraw/zinc/13/44/11/924134411.db2.gz UZMAAPCLPRIKOR-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393246360 924134419 /nfs/dbraw/zinc/13/44/19/924134419.db2.gz BDYYUQSCJFSSMM-RNCFNFMXSA-N 1 1 314.342 -2.264 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393246360 924134422 /nfs/dbraw/zinc/13/44/22/924134422.db2.gz BDYYUQSCJFSSMM-RNCFNFMXSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393253945 924135663 /nfs/dbraw/zinc/13/56/63/924135663.db2.gz PGFVEKAEICTFGK-RISCZKNCSA-N 1 1 300.355 -1.125 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001393252240 924135784 /nfs/dbraw/zinc/13/57/84/924135784.db2.gz AMGBQULPCBLFQB-REJLFOLJSA-N 1 1 311.382 -1.432 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001393252240 924135796 /nfs/dbraw/zinc/13/57/96/924135796.db2.gz AMGBQULPCBLFQB-REJLFOLJSA-N 1 1 311.382 -1.432 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001393252236 924136009 /nfs/dbraw/zinc/13/60/09/924136009.db2.gz AMGBQULPCBLFQB-MDHDOXDCSA-N 1 1 311.382 -1.432 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001393252236 924136019 /nfs/dbraw/zinc/13/60/19/924136019.db2.gz AMGBQULPCBLFQB-MDHDOXDCSA-N 1 1 311.382 -1.432 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393255616 924136100 /nfs/dbraw/zinc/13/61/00/924136100.db2.gz MCMUWVNCUSLXTA-GWCFXTLKSA-N 1 1 312.374 -1.462 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393251596 924136310 /nfs/dbraw/zinc/13/63/10/924136310.db2.gz SJDNZOCLVRDBLS-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393251596 924136320 /nfs/dbraw/zinc/13/63/20/924136320.db2.gz SJDNZOCLVRDBLS-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001393253811 924136492 /nfs/dbraw/zinc/13/64/92/924136492.db2.gz ZBRJBQKUQSOQEI-CQSZACIVSA-N 1 1 309.370 -1.299 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249504 924136729 /nfs/dbraw/zinc/13/67/29/924136729.db2.gz VQYDTEFCAYXNTE-SMDDNHRTSA-N 1 1 324.385 -1.644 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393253940 924136986 /nfs/dbraw/zinc/13/69/86/924136986.db2.gz PGFVEKAEICTFGK-BXUZGUMPSA-N 1 1 300.355 -1.125 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393250049 924137026 /nfs/dbraw/zinc/13/70/26/924137026.db2.gz NSFNTSWOGWMYEY-BXKDBHETSA-N 1 1 309.330 -2.885 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393250049 924137036 /nfs/dbraw/zinc/13/70/36/924137036.db2.gz NSFNTSWOGWMYEY-BXKDBHETSA-N 1 1 309.330 -2.885 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001393253290 924137162 /nfs/dbraw/zinc/13/71/62/924137162.db2.gz NFZQWKBANQYNIK-BXUZGUMPSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393249557 924137408 /nfs/dbraw/zinc/13/74/08/924137408.db2.gz HQCPNXPZGLBTOK-TZMCWYRMSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393249557 924137415 /nfs/dbraw/zinc/13/74/15/924137415.db2.gz HQCPNXPZGLBTOK-TZMCWYRMSA-N 1 1 301.387 -1.356 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393250881 924137545 /nfs/dbraw/zinc/13/75/45/924137545.db2.gz IRJIHPHTENSXSP-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001393255512 924137680 /nfs/dbraw/zinc/13/76/80/924137680.db2.gz RVACKVXVOKDRIK-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001393255512 924137683 /nfs/dbraw/zinc/13/76/83/924137683.db2.gz RVACKVXVOKDRIK-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001393249675 924137707 /nfs/dbraw/zinc/13/77/07/924137707.db2.gz HTTFAZJLKSUHBT-TZMCWYRMSA-N 1 1 311.386 -1.152 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](C)O)C2)nn1C ZINC001393261254 924140153 /nfs/dbraw/zinc/14/01/53/924140153.db2.gz NKJRJXFZOAYJIE-IINYFYTJSA-N 1 1 312.370 -1.024 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001393259677 924140182 /nfs/dbraw/zinc/14/01/82/924140182.db2.gz YMCZQPBLDROIIY-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001393256476 924140235 /nfs/dbraw/zinc/14/02/35/924140235.db2.gz LUJFGWZNSKBBQR-OTYXRUKQSA-N 1 1 311.338 -1.074 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nn1C ZINC001393256473 924140511 /nfs/dbraw/zinc/14/05/11/924140511.db2.gz FUJOEOJDKMAIOS-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nn1C ZINC001393256473 924140518 /nfs/dbraw/zinc/14/05/18/924140518.db2.gz FUJOEOJDKMAIOS-ZDUSSCGKSA-N 1 1 311.342 -1.919 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001393262016 924140668 /nfs/dbraw/zinc/14/06/68/924140668.db2.gz VRTTXTQZJUITFP-LBPRGKRZSA-N 1 1 322.431 -1.751 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393255740 924140681 /nfs/dbraw/zinc/14/06/81/924140681.db2.gz DDKKUSDUTBVYPC-AAEUAGOBSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001393255740 924140690 /nfs/dbraw/zinc/14/06/90/924140690.db2.gz DDKKUSDUTBVYPC-AAEUAGOBSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001393259705 924140846 /nfs/dbraw/zinc/14/08/46/924140846.db2.gz XTBHXTXZNQTUEP-GWCFXTLKSA-N 1 1 324.341 -2.061 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnc2nccn2c1 ZINC001393261906 924140945 /nfs/dbraw/zinc/14/09/45/924140945.db2.gz UYWHEHLIZDRENH-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H](C)O)C2)nn1C ZINC001393261257 924141148 /nfs/dbraw/zinc/14/11/48/924141148.db2.gz NKJRJXFZOAYJIE-QMTHXVAHSA-N 1 1 312.370 -1.024 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393255637 924141296 /nfs/dbraw/zinc/14/12/96/924141296.db2.gz MCMUWVNCUSLXTA-MFKMUULPSA-N 1 1 312.374 -1.462 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001393268943 924142983 /nfs/dbraw/zinc/14/29/83/924142983.db2.gz BXQZXHOUCJIPGI-OAHLLOKOSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001393268943 924142994 /nfs/dbraw/zinc/14/29/94/924142994.db2.gz BXQZXHOUCJIPGI-OAHLLOKOSA-N 1 1 324.381 -1.076 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCOC2)C1 ZINC001393268723 924143516 /nfs/dbraw/zinc/14/35/16/924143516.db2.gz BDSAWNHSONATPB-NFAWXSAZSA-N 1 1 316.398 -1.027 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393270262 924143594 /nfs/dbraw/zinc/14/35/94/924143594.db2.gz DFPBSWVCZSDKFX-RNCFNFMXSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270262 924143607 /nfs/dbraw/zinc/14/36/07/924143607.db2.gz DFPBSWVCZSDKFX-RNCFNFMXSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270262 924143617 /nfs/dbraw/zinc/14/36/17/924143617.db2.gz DFPBSWVCZSDKFX-RNCFNFMXSA-N 1 1 316.333 -1.277 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1csnn1 ZINC001393265310 924143793 /nfs/dbraw/zinc/14/37/93/924143793.db2.gz RZJVWMZPHJZAFV-SKDRFNHKSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1csnn1 ZINC001393265310 924143803 /nfs/dbraw/zinc/14/38/03/924143803.db2.gz RZJVWMZPHJZAFV-SKDRFNHKSA-N 1 1 311.367 -1.407 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN([C@H]2CCCNC2=O)C1 ZINC001393271907 924144079 /nfs/dbraw/zinc/14/40/79/924144079.db2.gz HOOCNMXVGLADER-WFASDCNBSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCNC(N)=O ZINC001393270354 924144338 /nfs/dbraw/zinc/14/43/38/924144338.db2.gz BRNWVFUGHKRGDG-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001393268129 924144874 /nfs/dbraw/zinc/14/48/74/924144874.db2.gz JODCXXGIPBXOME-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001393268129 924144878 /nfs/dbraw/zinc/14/48/78/924144878.db2.gz JODCXXGIPBXOME-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001393263532 924144989 /nfs/dbraw/zinc/14/49/89/924144989.db2.gz SZXHRMPEPJTSSQ-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001393263532 924144999 /nfs/dbraw/zinc/14/49/99/924144999.db2.gz SZXHRMPEPJTSSQ-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001393263535 924145463 /nfs/dbraw/zinc/14/54/63/924145463.db2.gz TZDDMAYQDLGOJJ-AWEZNQCLSA-N 1 1 309.370 -1.462 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001393263535 924145470 /nfs/dbraw/zinc/14/54/70/924145470.db2.gz TZDDMAYQDLGOJJ-AWEZNQCLSA-N 1 1 309.370 -1.462 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001393272883 924145504 /nfs/dbraw/zinc/14/55/04/924145504.db2.gz BXYCIKRIXHLUAD-ZWNOBZJWSA-N 1 1 310.358 -1.754 20 0 DAADMO CN(C)C(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393263738 924145708 /nfs/dbraw/zinc/14/57/08/924145708.db2.gz PFGYTSMJULPUJZ-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1csnn1 ZINC001393265291 924145790 /nfs/dbraw/zinc/14/57/90/924145790.db2.gz RZJVWMZPHJZAFV-BXKDBHETSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1csnn1 ZINC001393265291 924145796 /nfs/dbraw/zinc/14/57/96/924145796.db2.gz RZJVWMZPHJZAFV-BXKDBHETSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001393275761 924147531 /nfs/dbraw/zinc/14/75/31/924147531.db2.gz DUMNJAWWNJKZRP-CYBMUJFWSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)C1CCS(=O)(=O)CC1 ZINC001393275761 924147537 /nfs/dbraw/zinc/14/75/37/924147537.db2.gz DUMNJAWWNJKZRP-CYBMUJFWSA-N 1 1 320.411 -1.644 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278207 924147674 /nfs/dbraw/zinc/14/76/74/924147674.db2.gz RDXUFEOONIOPPU-WFASDCNBSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393276379 924147907 /nfs/dbraw/zinc/14/79/07/924147907.db2.gz MULDACVDFPGUCS-ZWNOBZJWSA-N 1 1 310.358 -2.034 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1CNC(=O)N1 ZINC001393274907 924148123 /nfs/dbraw/zinc/14/81/23/924148123.db2.gz KMDIBTWZAULULB-SMDDNHRTSA-N 1 1 322.369 -1.883 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393277240 924148206 /nfs/dbraw/zinc/14/82/06/924148206.db2.gz APWBINCGWWRMMH-IINYFYTJSA-N 1 1 324.385 -1.623 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277031 924149088 /nfs/dbraw/zinc/14/90/88/924149088.db2.gz AFKHGTNAVILBRV-WBMJQRKESA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1CNC(=O)N1 ZINC001393274903 924149153 /nfs/dbraw/zinc/14/91/53/924149153.db2.gz KMDIBTWZAULULB-RISCZKNCSA-N 1 1 322.369 -1.883 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393278343 924149294 /nfs/dbraw/zinc/14/92/94/924149294.db2.gz PODFDBGPTPGVKM-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393278343 924149306 /nfs/dbraw/zinc/14/93/06/924149306.db2.gz PODFDBGPTPGVKM-AWEZNQCLSA-N 1 1 319.369 -1.235 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393273204 924149330 /nfs/dbraw/zinc/14/93/30/924149330.db2.gz HZTGYWUJSLQTNE-ZDUSSCGKSA-N 1 1 313.333 -1.149 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393273204 924149340 /nfs/dbraw/zinc/14/93/40/924149340.db2.gz HZTGYWUJSLQTNE-ZDUSSCGKSA-N 1 1 313.333 -1.149 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393277690 924149885 /nfs/dbraw/zinc/14/98/85/924149885.db2.gz HHABFYIRPGCKMM-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393277690 924149895 /nfs/dbraw/zinc/14/98/95/924149895.db2.gz HHABFYIRPGCKMM-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393278192 924149974 /nfs/dbraw/zinc/14/99/74/924149974.db2.gz RDXUFEOONIOPPU-IUODEOHRSA-N 1 1 314.430 -1.032 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)CC2 ZINC001393280175 924151069 /nfs/dbraw/zinc/15/10/69/924151069.db2.gz JYDDNEIBOAXDNG-DOMZBBRYSA-N 1 1 323.397 -1.306 20 0 DAADMO CCn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](C)O)C2)ccc1=O ZINC001393280684 924151097 /nfs/dbraw/zinc/15/10/97/924151097.db2.gz QWSLKURUJSZVGK-NHYWBVRUSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC001393280998 924151476 /nfs/dbraw/zinc/15/14/76/924151476.db2.gz XBCLORQFPNOTCM-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC001393280998 924151484 /nfs/dbraw/zinc/15/14/84/924151484.db2.gz XBCLORQFPNOTCM-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO CCn1nc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](C)O)C2)ccc1=O ZINC001393280689 924152083 /nfs/dbraw/zinc/15/20/83/924152083.db2.gz QWSLKURUJSZVGK-XHDPSFHLSA-N 1 1 324.381 -1.189 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001393281119 924153836 /nfs/dbraw/zinc/15/38/36/924153836.db2.gz WBVZCJZPAYMVPP-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001393281119 924153846 /nfs/dbraw/zinc/15/38/46/924153846.db2.gz WBVZCJZPAYMVPP-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284931 924155034 /nfs/dbraw/zinc/15/50/34/924155034.db2.gz YNYXICQTBYKPCQ-CABZTGNLSA-N 1 1 311.346 -2.510 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001393284931 924155041 /nfs/dbraw/zinc/15/50/41/924155041.db2.gz YNYXICQTBYKPCQ-CABZTGNLSA-N 1 1 311.346 -2.510 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCCS1(=O)=O ZINC001393283445 924157157 /nfs/dbraw/zinc/15/71/57/924157157.db2.gz QTBBBMJGYNVIKW-ZYHUDNBSSA-N 1 1 306.384 -1.891 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCCS1(=O)=O ZINC001393283445 924157162 /nfs/dbraw/zinc/15/71/62/924157162.db2.gz QTBBBMJGYNVIKW-ZYHUDNBSSA-N 1 1 306.384 -1.891 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290099 924158090 /nfs/dbraw/zinc/15/80/90/924158090.db2.gz HWDVIEYAPJEORD-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290099 924158101 /nfs/dbraw/zinc/15/81/01/924158101.db2.gz HWDVIEYAPJEORD-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289878 924158436 /nfs/dbraw/zinc/15/84/36/924158436.db2.gz KGTYQTBYTHITFT-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289878 924158445 /nfs/dbraw/zinc/15/84/45/924158445.db2.gz KGTYQTBYTHITFT-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001393293879 924159530 /nfs/dbraw/zinc/15/95/30/924159530.db2.gz NXFQMBQAGBVBSQ-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001393293879 924159542 /nfs/dbraw/zinc/15/95/42/924159542.db2.gz NXFQMBQAGBVBSQ-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393289829 924159917 /nfs/dbraw/zinc/15/99/17/924159917.db2.gz GXXPOLGNEVALDL-OAHLLOKOSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393289829 924159925 /nfs/dbraw/zinc/15/99/25/924159925.db2.gz GXXPOLGNEVALDL-OAHLLOKOSA-N 1 1 321.381 -1.332 20 0 DAADMO Nc1nccnc1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393302540 924163535 /nfs/dbraw/zinc/16/35/35/924163535.db2.gz GQTOWDXHLDODLA-JTQLQIEISA-N 1 1 307.354 -1.128 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001393305296 924164702 /nfs/dbraw/zinc/16/47/02/924164702.db2.gz RJTAJTDILZIWEH-LLVKDONJSA-N 1 1 308.386 -1.130 20 0 DAADMO CC[C@@H](CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)OC ZINC001393305880 924167100 /nfs/dbraw/zinc/16/71/00/924167100.db2.gz SHQYSASHILGUIP-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@@H](CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)OC ZINC001393305880 924167106 /nfs/dbraw/zinc/16/71/06/924167106.db2.gz SHQYSASHILGUIP-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001393316648 924171220 /nfs/dbraw/zinc/17/12/20/924171220.db2.gz MPEGIAALPDSDOH-NWDGAFQWSA-N 1 1 312.414 -1.104 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@H]2CCCCO2)C1 ZINC001393317416 924171650 /nfs/dbraw/zinc/17/16/50/924171650.db2.gz OSPNDXZSFAMFKM-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(CN1CCOCC1=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001393316609 924172053 /nfs/dbraw/zinc/17/20/53/924172053.db2.gz KOTQMEBSKMCCAO-UHFFFAOYSA-N 1 1 311.382 -1.192 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)OC)C2)C1 ZINC001393360942 924191891 /nfs/dbraw/zinc/19/18/91/924191891.db2.gz OITQGDNAIVWTNQ-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C[C@@H](C)OC)C2)C1 ZINC001393360942 924191900 /nfs/dbraw/zinc/19/19/00/924191900.db2.gz OITQGDNAIVWTNQ-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H](C)COC)C2)C1 ZINC001393362359 924192919 /nfs/dbraw/zinc/19/29/19/924192919.db2.gz XVXOQZLIWMFBER-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@H](C)COC)C2)C1 ZINC001393362359 924192935 /nfs/dbraw/zinc/19/29/35/924192935.db2.gz XVXOQZLIWMFBER-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H](C)COC)C2)C1 ZINC001393362365 924193364 /nfs/dbraw/zinc/19/33/64/924193364.db2.gz XVXOQZLIWMFBER-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H](C)COC)C2)C1 ZINC001393362365 924193374 /nfs/dbraw/zinc/19/33/74/924193374.db2.gz XVXOQZLIWMFBER-QWHCGFSZSA-N 1 1 315.414 -1.095 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001393401735 924195003 /nfs/dbraw/zinc/19/50/03/924195003.db2.gz FKSUKRIMWVKXEG-TXEJJXNPSA-N 1 1 324.381 -1.035 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001393406901 924197216 /nfs/dbraw/zinc/19/72/16/924197216.db2.gz RAHSIXMNMZIEBV-TXEJJXNPSA-N 1 1 306.370 -1.159 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@H]2C1 ZINC001393406901 924197222 /nfs/dbraw/zinc/19/72/22/924197222.db2.gz RAHSIXMNMZIEBV-TXEJJXNPSA-N 1 1 306.370 -1.159 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001393411766 924197696 /nfs/dbraw/zinc/19/76/96/924197696.db2.gz GXDHVXIIVFCGBB-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393406524 924198231 /nfs/dbraw/zinc/19/82/31/924198231.db2.gz NRNLLQRBKLLMIK-RTXFEEFZSA-N 1 1 310.398 -1.011 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393406524 924198239 /nfs/dbraw/zinc/19/82/39/924198239.db2.gz NRNLLQRBKLLMIK-RTXFEEFZSA-N 1 1 310.398 -1.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001393417285 924198693 /nfs/dbraw/zinc/19/86/93/924198693.db2.gz MDSWFWQNQFBEAO-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001393413027 924199107 /nfs/dbraw/zinc/19/91/07/924199107.db2.gz VBIBNWAFSFKRIZ-GRYCIOLGSA-N 1 1 314.386 -1.687 20 0 DAADMO CO[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1)C1CC1 ZINC001393410419 924199159 /nfs/dbraw/zinc/19/91/59/924199159.db2.gz COGAHCYZDIFOQO-LOWVWBTDSA-N 1 1 324.381 -1.004 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393428830 924200090 /nfs/dbraw/zinc/20/00/90/924200090.db2.gz NMUGOEDLAYMQMP-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001393434298 924201190 /nfs/dbraw/zinc/20/11/90/924201190.db2.gz CQJUWCMFJFTDMB-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)c1 ZINC001393440533 924201295 /nfs/dbraw/zinc/20/12/95/924201295.db2.gz PTWKFBRHDRBONJ-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001393440533 924201304 /nfs/dbraw/zinc/20/13/04/924201304.db2.gz PTWKFBRHDRBONJ-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)CCc2cnc[nH]2)CC1 ZINC001393427075 924202052 /nfs/dbraw/zinc/20/20/52/924202052.db2.gz HAUQNPQLCMXODR-UHFFFAOYSA-N 1 1 322.413 -1.002 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393436346 924202761 /nfs/dbraw/zinc/20/27/61/924202761.db2.gz PRWSDKZYHJDFQI-ZDUSSCGKSA-N 1 1 302.375 -1.759 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@]1(CO)CCC[N@H+](C[C@H](C)O)C1 ZINC001393439992 924203326 /nfs/dbraw/zinc/20/33/26/924203326.db2.gz XIYLTHRLRZGNDH-FZMZJTMJSA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCn2cccn2)C1 ZINC001393432941 924203366 /nfs/dbraw/zinc/20/33/66/924203366.db2.gz ZSTHAXBHQQZFPC-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO O=C(CCn1cnnn1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393449322 924206132 /nfs/dbraw/zinc/20/61/32/924206132.db2.gz SROYLKNBKBKZJZ-CYBMUJFWSA-N 1 1 312.374 -1.611 20 0 DAADMO O=C(CCn1cnnn1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393449324 924206245 /nfs/dbraw/zinc/20/62/45/924206245.db2.gz SROYLKNBKBKZJZ-ZDUSSCGKSA-N 1 1 312.374 -1.611 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(CO)CCC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001393448757 924206832 /nfs/dbraw/zinc/20/68/32/924206832.db2.gz JAIRNWQZCMXWEI-SMDDNHRTSA-N 1 1 324.385 -1.197 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001393460688 924208006 /nfs/dbraw/zinc/20/80/06/924208006.db2.gz RTMWEAYZPXINLN-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](C)O ZINC001393462589 924208348 /nfs/dbraw/zinc/20/83/48/924208348.db2.gz LMLHWSWVUTYWDK-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393458805 924210571 /nfs/dbraw/zinc/21/05/71/924210571.db2.gz YYMMPSQEOVVRJT-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001393458044 924211247 /nfs/dbraw/zinc/21/12/47/924211247.db2.gz FFZWYDMHJPNJET-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C ZINC001393469722 924213439 /nfs/dbraw/zinc/21/34/39/924213439.db2.gz ZPAWESRNMUBPNA-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393470607 924214353 /nfs/dbraw/zinc/21/43/53/924214353.db2.gz YXEYUOZBFCUFNL-IUODEOHRSA-N 1 1 313.398 -1.067 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393470608 924215286 /nfs/dbraw/zinc/21/52/86/924215286.db2.gz YXEYUOZBFCUFNL-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001393571782 924226957 /nfs/dbraw/zinc/22/69/57/924226957.db2.gz NYROOUFUTFLURI-SKDRFNHKSA-N 1 1 311.342 -1.089 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001393574510 924227309 /nfs/dbraw/zinc/22/73/09/924227309.db2.gz PMBNECPMJLSQSW-VHSXEESVSA-N 1 1 310.354 -1.046 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001393573670 924228504 /nfs/dbraw/zinc/22/85/04/924228504.db2.gz DICVHNKDRPJVEK-NSHDSACASA-N 1 1 322.369 -1.178 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001393579079 924230386 /nfs/dbraw/zinc/23/03/86/924230386.db2.gz AAUJHQLNAIYREB-MNOVXSKESA-N 1 1 313.358 -1.829 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001393587103 924231658 /nfs/dbraw/zinc/23/16/58/924231658.db2.gz HFFYUGSFJUZWJP-SNVBAGLBSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001393587103 924231669 /nfs/dbraw/zinc/23/16/69/924231669.db2.gz HFFYUGSFJUZWJP-SNVBAGLBSA-N 1 1 322.369 -1.178 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)c3cnon3)CC2)C1 ZINC001393591299 924232573 /nfs/dbraw/zinc/23/25/73/924232573.db2.gz YPSMOJWDXQOHBA-JTQLQIEISA-N 1 1 309.326 -1.221 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)c3cnon3)CC2)C1 ZINC001393591299 924232588 /nfs/dbraw/zinc/23/25/88/924232588.db2.gz YPSMOJWDXQOHBA-JTQLQIEISA-N 1 1 309.326 -1.221 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393594727 924232625 /nfs/dbraw/zinc/23/26/25/924232625.db2.gz FNWJNLWGAKAJSK-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001393615255 924233240 /nfs/dbraw/zinc/23/32/40/924233240.db2.gz CRXXDLJERTWPQN-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cc3nc[nH]n3)CC2)C1 ZINC001393587635 924234094 /nfs/dbraw/zinc/23/40/94/924234094.db2.gz NOPSFIKGIWULRJ-SNVBAGLBSA-N 1 1 322.369 -1.557 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cc3nc[nH]n3)CC2)C1 ZINC001393587635 924234103 /nfs/dbraw/zinc/23/41/03/924234103.db2.gz NOPSFIKGIWULRJ-SNVBAGLBSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001393606678 924234220 /nfs/dbraw/zinc/23/42/20/924234220.db2.gz QLTKUWGEPXGVLG-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001393606666 924235411 /nfs/dbraw/zinc/23/54/11/924235411.db2.gz QLTKUWGEPXGVLG-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001393632885 924237314 /nfs/dbraw/zinc/23/73/14/924237314.db2.gz WNNRKVWZSYRXNO-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CN1CCCNC1=O ZINC001393624298 924238407 /nfs/dbraw/zinc/23/84/07/924238407.db2.gz ABSJPUOGSJKEKQ-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[N@@H+](CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1)C1CCC1 ZINC001393651948 924239245 /nfs/dbraw/zinc/23/92/45/924239245.db2.gz FUYQXLWJDCXLQS-UHFFFAOYSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C ZINC001393753675 924251571 /nfs/dbraw/zinc/25/15/71/924251571.db2.gz YMEHRDZFGODUQS-APPZFPTMSA-N 1 1 323.357 -1.381 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)CNC(=O)OC)CC2)C1 ZINC001393760735 924252142 /nfs/dbraw/zinc/25/21/42/924252142.db2.gz NENUGOWYWCBDMP-UHFFFAOYSA-N 1 1 314.386 -1.183 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001393750774 924252497 /nfs/dbraw/zinc/25/24/97/924252497.db2.gz XFGJEBMXDIPECM-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO CN1C[C@H](C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001393770869 924255074 /nfs/dbraw/zinc/25/50/74/924255074.db2.gz MFTRIPVJTJYPKO-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@H](C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001393770853 924256641 /nfs/dbraw/zinc/25/66/41/924256641.db2.gz MFTRIPVJTJYPKO-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO Cc1nc(CC(=O)NCC[C@H](C)[NH2+]Cc2nnnn2C)n[nH]1 ZINC001393804352 924258952 /nfs/dbraw/zinc/25/89/52/924258952.db2.gz HHSDJNRZUNGBPU-QMMMGPOBSA-N 1 1 307.362 -1.136 20 0 DAADMO Cn1nncc1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001393840995 924260504 /nfs/dbraw/zinc/26/05/04/924260504.db2.gz DYSYTMCUCOGCJG-JTQLQIEISA-N 1 1 322.369 -1.740 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cncn2C)CC1 ZINC001393849810 924263502 /nfs/dbraw/zinc/26/35/02/924263502.db2.gz FRHFLGASBMNZQI-LLVKDONJSA-N 1 1 323.397 -1.221 20 0 DAADMO Cn1nnc(C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)n1 ZINC001393845403 924263983 /nfs/dbraw/zinc/26/39/83/924263983.db2.gz WLYZWPKNFPFOER-VIFPVBQESA-N 1 1 323.357 -2.345 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001393850827 924264692 /nfs/dbraw/zinc/26/46/92/924264692.db2.gz ABJHMNFEZJBTER-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001393880583 924265240 /nfs/dbraw/zinc/26/52/40/924265240.db2.gz GUELIRCUBSTRQW-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001393877380 924265740 /nfs/dbraw/zinc/26/57/40/924265740.db2.gz KRXSYRGRTZYFPK-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001393877380 924265750 /nfs/dbraw/zinc/26/57/50/924265750.db2.gz KRXSYRGRTZYFPK-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO)C(N)=O ZINC001393887954 924266013 /nfs/dbraw/zinc/26/60/13/924266013.db2.gz VTCLQLAOHNBRBT-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001393888151 924266293 /nfs/dbraw/zinc/26/62/93/924266293.db2.gz ZVWKTQBNPMBPSM-MRVPVSSYSA-N 1 1 324.345 -2.059 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001393888151 924266304 /nfs/dbraw/zinc/26/63/04/924266304.db2.gz ZVWKTQBNPMBPSM-MRVPVSSYSA-N 1 1 324.345 -2.059 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCO)C(N)=O ZINC001393887956 924266625 /nfs/dbraw/zinc/26/66/25/924266625.db2.gz VTCLQLAOHNBRBT-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2ncnn2)n1 ZINC001393950521 924268822 /nfs/dbraw/zinc/26/88/22/924268822.db2.gz NGJNZMOIRCSFMY-ZJUUUORDSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001393965069 924271354 /nfs/dbraw/zinc/27/13/54/924271354.db2.gz UTRPKFYTSWYVGI-GHMZBOCLSA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001393965075 924271501 /nfs/dbraw/zinc/27/15/01/924271501.db2.gz UTRPKFYTSWYVGI-WDEREUQCSA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001394009539 924272470 /nfs/dbraw/zinc/27/24/70/924272470.db2.gz VJWXBEZWTIRGLM-UWVGGRQHSA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001394062628 924275488 /nfs/dbraw/zinc/27/54/88/924275488.db2.gz HHORQCYIHLQNCN-UWVGGRQHSA-N 1 1 314.390 -1.495 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089618 924277479 /nfs/dbraw/zinc/27/74/79/924277479.db2.gz LMRMTXFGHCFFAH-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089618 924277487 /nfs/dbraw/zinc/27/74/87/924277487.db2.gz LMRMTXFGHCFFAH-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089612 924277639 /nfs/dbraw/zinc/27/76/39/924277639.db2.gz LMRMTXFGHCFFAH-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089612 924277650 /nfs/dbraw/zinc/27/76/50/924277650.db2.gz LMRMTXFGHCFFAH-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001394079189 924278233 /nfs/dbraw/zinc/27/82/33/924278233.db2.gz LTWVKCMXQSZZRC-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394065787 924278296 /nfs/dbraw/zinc/27/82/96/924278296.db2.gz MMBROACLOCLDSA-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394102612 924280080 /nfs/dbraw/zinc/28/00/80/924280080.db2.gz SZEDTCYCDWFEIF-WDEREUQCSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)CC(=O)NC(N)=O ZINC001394115213 924281093 /nfs/dbraw/zinc/28/10/93/924281093.db2.gz UCLIJPPHGSJMCZ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[N@H+](C)CC(N)=O ZINC001394103518 924281393 /nfs/dbraw/zinc/28/13/93/924281393.db2.gz OZGXFYQFAKDMPC-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)[N@@H+](C)CC(N)=O ZINC001394103518 924281402 /nfs/dbraw/zinc/28/14/02/924281402.db2.gz OZGXFYQFAKDMPC-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)CC(=O)NC(N)=O ZINC001394115216 924281531 /nfs/dbraw/zinc/28/15/31/924281531.db2.gz UCLIJPPHGSJMCZ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CC(=O)NC(N)=O ZINC001394121200 924281671 /nfs/dbraw/zinc/28/16/71/924281671.db2.gz FURKHUHMESRKLT-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@H+](C)CC(N)=O ZINC001394139814 924282471 /nfs/dbraw/zinc/28/24/71/924282471.db2.gz YWPOXJQEERRXDM-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@@H+](C)CC(N)=O ZINC001394139814 924282483 /nfs/dbraw/zinc/28/24/83/924282483.db2.gz YWPOXJQEERRXDM-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001394131719 924283517 /nfs/dbraw/zinc/28/35/17/924283517.db2.gz CMOSMGMAWMAHLR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001394131719 924283523 /nfs/dbraw/zinc/28/35/23/924283523.db2.gz CMOSMGMAWMAHLR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394136071 924283921 /nfs/dbraw/zinc/28/39/21/924283921.db2.gz MKCAPOBZZFFVKM-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](NC(=O)CCNS(C)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001394225087 924290785 /nfs/dbraw/zinc/29/07/85/924290785.db2.gz PFJLUVLIVGZBQC-IUCAKERBSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001394213293 924291166 /nfs/dbraw/zinc/29/11/66/924291166.db2.gz IDXDSXIOPXZCDE-ZJUUUORDSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001394170100 924291185 /nfs/dbraw/zinc/29/11/85/924291185.db2.gz IHHCTBUKLFFVQN-TXEJJXNPSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001394213292 924291458 /nfs/dbraw/zinc/29/14/58/924291458.db2.gz IDXDSXIOPXZCDE-VHSXEESVSA-N 1 1 309.374 -1.414 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CN2CCOCC2)C1 ZINC001394242217 924293517 /nfs/dbraw/zinc/29/35/17/924293517.db2.gz ZSOXVBMGDMIPKK-NWDGAFQWSA-N 1 1 312.414 -1.110 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001394282058 924294466 /nfs/dbraw/zinc/29/44/66/924294466.db2.gz FLGFZKNDUQSVOY-TZMCWYRMSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001394282058 924294473 /nfs/dbraw/zinc/29/44/73/924294473.db2.gz FLGFZKNDUQSVOY-TZMCWYRMSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C1 ZINC001394283860 924294983 /nfs/dbraw/zinc/29/49/83/924294983.db2.gz UCPVCMXWCGYYCZ-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001394282050 924295053 /nfs/dbraw/zinc/29/50/53/924295053.db2.gz FLGFZKNDUQSVOY-JSGCOSHPSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001394282050 924295064 /nfs/dbraw/zinc/29/50/64/924295064.db2.gz FLGFZKNDUQSVOY-JSGCOSHPSA-N 1 1 302.371 -1.057 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001394292258 924295149 /nfs/dbraw/zinc/29/51/49/924295149.db2.gz XFABKBJXZKSJAM-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001394292258 924295156 /nfs/dbraw/zinc/29/51/56/924295156.db2.gz XFABKBJXZKSJAM-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001394289602 924295297 /nfs/dbraw/zinc/29/52/97/924295297.db2.gz AYDPTNXOBKUKOQ-CNDDSTCGSA-N 1 1 308.382 -1.351 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001394286174 924295530 /nfs/dbraw/zinc/29/55/30/924295530.db2.gz XMQYBTZLNRMXMK-XYJRDEOASA-N 1 1 310.398 -1.107 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001394286174 924295539 /nfs/dbraw/zinc/29/55/39/924295539.db2.gz XMQYBTZLNRMXMK-XYJRDEOASA-N 1 1 310.398 -1.107 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001394290765 924295702 /nfs/dbraw/zinc/29/57/02/924295702.db2.gz CBCTYAFYCOFDON-XYYAHUGASA-N 1 1 306.370 -1.255 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001394290765 924295709 /nfs/dbraw/zinc/29/57/09/924295709.db2.gz CBCTYAFYCOFDON-XYYAHUGASA-N 1 1 306.370 -1.255 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001394321058 924296166 /nfs/dbraw/zinc/29/61/66/924296166.db2.gz TYXSILYEJYMNMV-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001394303125 924296201 /nfs/dbraw/zinc/29/62/01/924296201.db2.gz VXASBOAFEXZAFP-FIQHERPVSA-N 1 1 310.358 -2.026 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001394303119 924296243 /nfs/dbraw/zinc/29/62/43/924296243.db2.gz ISYPRENZTQVSDP-UHFZAUJKSA-N 1 1 314.386 -1.656 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001394317286 924296729 /nfs/dbraw/zinc/29/67/29/924296729.db2.gz DTPGRZZNKWLXHK-CHWFTXMASA-N 1 1 311.386 -1.397 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001394302670 924296758 /nfs/dbraw/zinc/29/67/58/924296758.db2.gz RKIHNECOAPSVIW-OWUUHHOZSA-N 1 1 320.353 -1.227 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1=O ZINC001394310900 924296823 /nfs/dbraw/zinc/29/68/23/924296823.db2.gz DMBIXBZMZPXZFC-XYYAHUGASA-N 1 1 310.398 -1.953 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001394310559 924296946 /nfs/dbraw/zinc/29/69/46/924296946.db2.gz SADAKHDNSGHGIL-PDEGPIFNSA-N 1 1 323.397 -1.384 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001394317956 924297338 /nfs/dbraw/zinc/29/73/38/924297338.db2.gz ZGXNDRMRRFQCEP-KYXWUPHJSA-N 1 1 320.353 -1.099 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001394337374 924298064 /nfs/dbraw/zinc/29/80/64/924298064.db2.gz OJGYDSYSLZNLFK-OWUUHHOZSA-N 1 1 320.353 -1.179 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394326781 924298231 /nfs/dbraw/zinc/29/82/31/924298231.db2.gz DQFMRUQCCGXUNO-KKOKHZNYSA-N 1 1 304.412 -1.047 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001394347060 924299679 /nfs/dbraw/zinc/29/96/79/924299679.db2.gz IZMXPFCHWFOVLE-LBPRGKRZSA-N 1 1 324.385 -1.395 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)O)C2 ZINC001394352353 924299770 /nfs/dbraw/zinc/29/97/70/924299770.db2.gz YYSSCDPTULBFMT-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001394349806 924300309 /nfs/dbraw/zinc/30/03/09/924300309.db2.gz YCOXCGQYNUCKMP-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001394349806 924300317 /nfs/dbraw/zinc/30/03/17/924300317.db2.gz YCOXCGQYNUCKMP-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CC(C)[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001394413622 924301497 /nfs/dbraw/zinc/30/14/97/924301497.db2.gz LIKSEDFYGQPDGT-ZJUUUORDSA-N 1 1 324.389 -1.488 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001394382113 924302166 /nfs/dbraw/zinc/30/21/66/924302166.db2.gz VBTOFXRKOBZQSG-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001394502624 924304209 /nfs/dbraw/zinc/30/42/09/924304209.db2.gz KPEVCVNOCOCCRQ-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001394502621 924305241 /nfs/dbraw/zinc/30/52/41/924305241.db2.gz KPEVCVNOCOCCRQ-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001394513798 924305999 /nfs/dbraw/zinc/30/59/99/924305999.db2.gz QCZGPLLHYGONRO-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001394562087 924306753 /nfs/dbraw/zinc/30/67/53/924306753.db2.gz JJHUVFXTQSHKHO-SNVBAGLBSA-N 1 1 316.402 -1.506 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001394564910 924308891 /nfs/dbraw/zinc/30/88/91/924308891.db2.gz ZLKLJVGNSRMNLX-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2csnn2)C1 ZINC001394572070 924311010 /nfs/dbraw/zinc/31/10/10/924311010.db2.gz NDFHVXZQMNSGAB-ONGXEEELSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2csnn2)C1 ZINC001394572070 924311017 /nfs/dbraw/zinc/31/10/17/924311017.db2.gz NDFHVXZQMNSGAB-ONGXEEELSA-N 1 1 315.399 -1.565 20 0 DAADMO CCn1nncc1CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001394575354 924312824 /nfs/dbraw/zinc/31/28/24/924312824.db2.gz FZFJJTQKKSATSV-DGCLKSJQSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001394573503 924313464 /nfs/dbraw/zinc/31/34/64/924313464.db2.gz RGCXJPFWKICIQS-PWSUYJOCSA-N 1 1 313.358 -1.720 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)N1CCCC1 ZINC001394578416 924317206 /nfs/dbraw/zinc/31/72/06/924317206.db2.gz LPYLQUSSVLRHDP-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ncccc1O ZINC001394581689 924320780 /nfs/dbraw/zinc/32/07/80/924320780.db2.gz FKXJDLMEDJEFHL-JTQLQIEISA-N 1 1 310.354 -1.006 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001394583884 924322740 /nfs/dbraw/zinc/32/27/40/924322740.db2.gz QDONXQYKZCTDEB-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1COC(=O)N1 ZINC001394585947 924322820 /nfs/dbraw/zinc/32/28/20/924322820.db2.gz WLHUPEFGOJYHFA-PWSUYJOCSA-N 1 1 323.353 -1.496 20 0 DAADMO COc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)on1 ZINC001394587631 924323483 /nfs/dbraw/zinc/32/34/83/924323483.db2.gz RNAJAUZIIHDKPD-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ncccc2O)C1=O ZINC001394589238 924326022 /nfs/dbraw/zinc/32/60/22/924326022.db2.gz XOHVFNGZWLMMEM-UWVGGRQHSA-N 1 1 308.338 -1.302 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001394592061 924327885 /nfs/dbraw/zinc/32/78/85/924327885.db2.gz YBGDCLUEMWGIRK-LLVKDONJSA-N 1 1 320.357 -1.917 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NC ZINC001394590369 924328412 /nfs/dbraw/zinc/32/84/12/924328412.db2.gz IURMFQWCNNQNRA-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)CC1=O ZINC001394597216 924330295 /nfs/dbraw/zinc/33/02/95/924330295.db2.gz ZKGCLZPDONNHRX-UWVGGRQHSA-N 1 1 310.358 -2.140 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CC1=O ZINC001394597220 924330397 /nfs/dbraw/zinc/33/03/97/924330397.db2.gz ZKGCLZPDONNHRX-VHSXEESVSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)c1 ZINC001394608642 924335642 /nfs/dbraw/zinc/33/56/42/924335642.db2.gz UFVMUPMSDCBYLR-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001394608417 924336120 /nfs/dbraw/zinc/33/61/20/924336120.db2.gz CLBMKUBVFCIBRS-CMPLNLGQSA-N 1 1 324.385 -1.467 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)ncn1 ZINC001394612389 924337432 /nfs/dbraw/zinc/33/74/32/924337432.db2.gz HOYDIWQGXDOLBH-NEPJUHHUSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001394609490 924337628 /nfs/dbraw/zinc/33/76/28/924337628.db2.gz CMCQSCWAKFJBQL-WDEREUQCSA-N 1 1 310.358 -1.990 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1ncnn1C ZINC001394614254 924339293 /nfs/dbraw/zinc/33/92/93/924339293.db2.gz PEIGHDJHWPVLQG-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001394616601 924340184 /nfs/dbraw/zinc/34/01/84/924340184.db2.gz NFSMRSNXJUGMOW-VIFPVBQESA-N 1 1 308.342 -1.260 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001394616434 924340521 /nfs/dbraw/zinc/34/05/21/924340521.db2.gz SJONZDLHJZHXSC-NHYWBVRUSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001394619315 924342552 /nfs/dbraw/zinc/34/25/52/924342552.db2.gz SCDLYUIRCGOGQS-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1csc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001394625964 924344136 /nfs/dbraw/zinc/34/41/36/924344136.db2.gz RXCHMDUWCLAZEO-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001394625655 924344456 /nfs/dbraw/zinc/34/44/56/924344456.db2.gz ZXAWDWFYDQHSFZ-ZDUSSCGKSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001394632751 924346623 /nfs/dbraw/zinc/34/66/23/924346623.db2.gz HQCCITIDAGJJPK-AAEUAGOBSA-N 1 1 312.414 -1.327 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2cnn(C)n2)C1 ZINC001394634779 924347866 /nfs/dbraw/zinc/34/78/66/924347866.db2.gz KUVZQIBSHQDGPZ-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001394640549 924347980 /nfs/dbraw/zinc/34/79/80/924347980.db2.gz QDCXJFIYEYXNRE-JQWIXIFHSA-N 1 1 321.385 -1.016 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001394640646 924348011 /nfs/dbraw/zinc/34/80/11/924348011.db2.gz COGAUHBNYPDBAW-JTQLQIEISA-N 1 1 321.341 -1.587 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CCc2cnn(C)n2)n1 ZINC001394637532 924348107 /nfs/dbraw/zinc/34/81/07/924348107.db2.gz QEDVFVGQITZIFF-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001394640291 924348784 /nfs/dbraw/zinc/34/87/84/924348784.db2.gz AGEYWVUTNRJTQA-MNOVXSKESA-N 1 1 323.353 -1.670 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CCn2cnnn2)nn1C ZINC001394642262 924351484 /nfs/dbraw/zinc/35/14/84/924351484.db2.gz HKDQPHAFVPNZFU-GFCCVEGCSA-N 1 1 322.373 -1.628 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccn(C)n2)nn1 ZINC001394641577 924351886 /nfs/dbraw/zinc/35/18/86/924351886.db2.gz FTFYCUPMVCRVNL-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394647625 924352395 /nfs/dbraw/zinc/35/23/95/924352395.db2.gz HJMAVYWBQFUFAX-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1nc(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)ccc1=O ZINC001394646348 924353286 /nfs/dbraw/zinc/35/32/86/924353286.db2.gz DMMSZVJODSIEEX-MRVPVSSYSA-N 1 1 324.366 -1.488 20 0 DAADMO CS(=O)(=O)CCN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394646047 924353833 /nfs/dbraw/zinc/35/38/33/924353833.db2.gz AIIYMOUKPNQNRI-LLVKDONJSA-N 1 1 319.427 -1.807 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)no1 ZINC001394649614 924354536 /nfs/dbraw/zinc/35/45/36/924354536.db2.gz CXLIJKMAPJHJOH-SECBINFHSA-N 1 1 320.371 -1.901 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657049 924356913 /nfs/dbraw/zinc/35/69/13/924356913.db2.gz NWSUNOLHEQQNQN-QWRGUYRKSA-N 1 1 307.416 -1.951 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657049 924356921 /nfs/dbraw/zinc/35/69/21/924356921.db2.gz NWSUNOLHEQQNQN-QWRGUYRKSA-N 1 1 307.416 -1.951 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657047 924357536 /nfs/dbraw/zinc/35/75/36/924357536.db2.gz NWSUNOLHEQQNQN-GHMZBOCLSA-N 1 1 307.416 -1.951 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657047 924357543 /nfs/dbraw/zinc/35/75/43/924357543.db2.gz NWSUNOLHEQQNQN-GHMZBOCLSA-N 1 1 307.416 -1.951 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCNC(N)=O ZINC001394674383 924361530 /nfs/dbraw/zinc/36/15/30/924361530.db2.gz HYJZSKHUIVHCFY-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C(C)(C)C ZINC001394725986 924362502 /nfs/dbraw/zinc/36/25/02/924362502.db2.gz ODTBJDJGBOQUSF-JTQLQIEISA-N 1 1 314.390 -1.017 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CCO ZINC001394718670 924363073 /nfs/dbraw/zinc/36/30/73/924363073.db2.gz SUWIFVJZHWEQPO-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1COC(=O)N1 ZINC001394731919 924364639 /nfs/dbraw/zinc/36/46/39/924364639.db2.gz AQHVHUDQLHSSEN-NXEZZACHSA-N 1 1 309.326 -1.506 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc(C)[nH]1 ZINC001394730408 924365428 /nfs/dbraw/zinc/36/54/28/924365428.db2.gz LVVRZWCPVYLGOI-QWRGUYRKSA-N 1 1 300.359 -1.252 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)N1 ZINC001394732044 924366975 /nfs/dbraw/zinc/36/69/75/924366975.db2.gz RAIRMUPURIASCN-WDEREUQCSA-N 1 1 310.358 -1.997 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ncccc1O ZINC001394732692 924367258 /nfs/dbraw/zinc/36/72/58/924367258.db2.gz IEHIJZQWUASEHR-UWVGGRQHSA-N 1 1 310.354 -1.056 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001394734014 924367459 /nfs/dbraw/zinc/36/74/59/924367459.db2.gz MOXTZCWICSOPCS-WCBMZHEXSA-N 1 1 323.361 -1.730 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2cnn(C)c2)[nH]1 ZINC001394732822 924367563 /nfs/dbraw/zinc/36/75/63/924367563.db2.gz SQZFZVIRMZIHJN-LBPRGKRZSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001394733504 924367591 /nfs/dbraw/zinc/36/75/91/924367591.db2.gz VISGSIVGKZIQMD-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001394734012 924368025 /nfs/dbraw/zinc/36/80/25/924368025.db2.gz MOXTZCWICSOPCS-SCZZXKLOSA-N 1 1 323.361 -1.730 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001394731974 924368189 /nfs/dbraw/zinc/36/81/89/924368189.db2.gz CAOKJMRVKKDGCD-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1ccon1 ZINC001394737987 924370485 /nfs/dbraw/zinc/37/04/85/924370485.db2.gz UPXHCAJIRGCEKP-NSHDSACASA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1ccon1 ZINC001394737984 924370515 /nfs/dbraw/zinc/37/05/15/924370515.db2.gz UPXHCAJIRGCEKP-LLVKDONJSA-N 1 1 308.342 -1.045 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001394741638 924372217 /nfs/dbraw/zinc/37/22/17/924372217.db2.gz JTHSACDILRJGBI-JGVFFNPUSA-N 1 1 309.334 -1.888 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001394740440 924372470 /nfs/dbraw/zinc/37/24/70/924372470.db2.gz LVYLLBQILGUVSH-NEPJUHHUSA-N 1 1 321.381 -1.136 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@]1(F)CCOC1 ZINC001394747995 924373915 /nfs/dbraw/zinc/37/39/15/924373915.db2.gz OZSCYIXFJPNWNX-DGCLKSJQSA-N 1 1 315.349 -1.147 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001394752335 924375800 /nfs/dbraw/zinc/37/58/00/924375800.db2.gz CFFWYWMCSCLWDD-RYUDHWBXSA-N 1 1 316.402 -2.151 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001394752334 924375883 /nfs/dbraw/zinc/37/58/83/924375883.db2.gz CFFWYWMCSCLWDD-NWDGAFQWSA-N 1 1 316.402 -2.151 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001394753082 924375939 /nfs/dbraw/zinc/37/59/39/924375939.db2.gz QZMAOFSOUINTFF-JTQLQIEISA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1c[nH]c(=O)n1C ZINC001394750268 924376697 /nfs/dbraw/zinc/37/66/97/924376697.db2.gz IIRIAKNTLYOYOS-VIFPVBQESA-N 1 1 323.357 -1.523 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O)[nH]1 ZINC001394755062 924378202 /nfs/dbraw/zinc/37/82/02/924378202.db2.gz VHYYPAHAJOJEHK-WCBMZHEXSA-N 1 1 312.374 -1.466 20 0 DAADMO Cc1c[nH]c(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001394759998 924381327 /nfs/dbraw/zinc/38/13/27/924381327.db2.gz SMANDAHGWOXMBO-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001394760533 924381538 /nfs/dbraw/zinc/38/15/38/924381538.db2.gz UHBKSFZQDZCXTQ-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cnc[nH]1 ZINC001394759058 924381680 /nfs/dbraw/zinc/38/16/80/924381680.db2.gz UUEYOYVHJHCJCT-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001394767834 924382309 /nfs/dbraw/zinc/38/23/09/924382309.db2.gz JUMIMDGRXPDYSZ-QWHCGFSZSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394765773 924382592 /nfs/dbraw/zinc/38/25/92/924382592.db2.gz HPJIOPXKJPZHCS-GHMZBOCLSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394765773 924382598 /nfs/dbraw/zinc/38/25/98/924382598.db2.gz HPJIOPXKJPZHCS-GHMZBOCLSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC001394770888 924382615 /nfs/dbraw/zinc/38/26/15/924382615.db2.gz SRJGDWOTUSXKDA-OLZOCXBDSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)C ZINC001394764919 924382916 /nfs/dbraw/zinc/38/29/16/924382916.db2.gz CBWTWJIVQOTIPS-SNVBAGLBSA-N 1 1 302.375 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)C ZINC001394764919 924382926 /nfs/dbraw/zinc/38/29/26/924382926.db2.gz CBWTWJIVQOTIPS-SNVBAGLBSA-N 1 1 302.375 -1.151 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001394765692 924383372 /nfs/dbraw/zinc/38/33/72/924383372.db2.gz HBVCFCLSWDIOKG-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001394765692 924383381 /nfs/dbraw/zinc/38/33/81/924383381.db2.gz HBVCFCLSWDIOKG-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1C ZINC001394764420 924383424 /nfs/dbraw/zinc/38/34/24/924383424.db2.gz AIARIAOHQIXPHC-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1C ZINC001394764420 924383436 /nfs/dbraw/zinc/38/34/36/924383436.db2.gz AIARIAOHQIXPHC-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001394764384 924383680 /nfs/dbraw/zinc/38/36/80/924383680.db2.gz QOTNOXOXOOGLDM-LLVKDONJSA-N 1 1 302.375 -1.591 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001394771338 924383733 /nfs/dbraw/zinc/38/37/33/924383733.db2.gz VDHFUNXDGSWTIG-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001394771338 924383738 /nfs/dbraw/zinc/38/37/38/924383738.db2.gz VDHFUNXDGSWTIG-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001394767575 924384030 /nfs/dbraw/zinc/38/40/30/924384030.db2.gz JFIPSMSMEIFKKN-SECBINFHSA-N 1 1 311.342 -1.707 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001394767575 924384038 /nfs/dbraw/zinc/38/40/38/924384038.db2.gz JFIPSMSMEIFKKN-SECBINFHSA-N 1 1 311.342 -1.707 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394773500 924384990 /nfs/dbraw/zinc/38/49/90/924384990.db2.gz PNOHDFGEJBJTJX-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773500 924384996 /nfs/dbraw/zinc/38/49/96/924384996.db2.gz PNOHDFGEJBJTJX-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773500 924385002 /nfs/dbraw/zinc/38/50/02/924385002.db2.gz PNOHDFGEJBJTJX-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001394774594 924385330 /nfs/dbraw/zinc/38/53/30/924385330.db2.gz DQURCXWPCHDNAX-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CCOc1nc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)co1 ZINC001394776338 924385687 /nfs/dbraw/zinc/38/56/87/924385687.db2.gz JBLKNAIJQYIJSI-VIFPVBQESA-N 1 1 314.342 -1.077 20 0 DAADMO CCOc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)co1 ZINC001394776338 924385694 /nfs/dbraw/zinc/38/56/94/924385694.db2.gz JBLKNAIJQYIJSI-VIFPVBQESA-N 1 1 314.342 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001394773620 924385841 /nfs/dbraw/zinc/38/58/41/924385841.db2.gz AAOPWNCGSZSXOJ-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775591 924385868 /nfs/dbraw/zinc/38/58/68/924385868.db2.gz ZDHPBWZQYXUXEZ-RKDXNWHRSA-N 1 1 310.358 -1.703 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775591 924385873 /nfs/dbraw/zinc/38/58/73/924385873.db2.gz ZDHPBWZQYXUXEZ-RKDXNWHRSA-N 1 1 310.358 -1.703 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001394773829 924385970 /nfs/dbraw/zinc/38/59/70/924385970.db2.gz YMEHJMSYXAKBFJ-NSHDSACASA-N 1 1 302.375 -2.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001394773829 924385973 /nfs/dbraw/zinc/38/59/73/924385973.db2.gz YMEHJMSYXAKBFJ-NSHDSACASA-N 1 1 302.375 -2.445 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001394773827 924386221 /nfs/dbraw/zinc/38/62/21/924386221.db2.gz YMEHJMSYXAKBFJ-LLVKDONJSA-N 1 1 302.375 -2.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1 ZINC001394773827 924386228 /nfs/dbraw/zinc/38/62/28/924386228.db2.gz YMEHJMSYXAKBFJ-LLVKDONJSA-N 1 1 302.375 -2.445 20 0 DAADMO CCOc1nc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)co1 ZINC001394776337 924386323 /nfs/dbraw/zinc/38/63/23/924386323.db2.gz JBLKNAIJQYIJSI-SECBINFHSA-N 1 1 314.342 -1.077 20 0 DAADMO CCOc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)co1 ZINC001394776337 924386333 /nfs/dbraw/zinc/38/63/33/924386333.db2.gz JBLKNAIJQYIJSI-SECBINFHSA-N 1 1 314.342 -1.077 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775590 924386467 /nfs/dbraw/zinc/38/64/67/924386467.db2.gz ZDHPBWZQYXUXEZ-IUCAKERBSA-N 1 1 310.358 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001394775590 924386473 /nfs/dbraw/zinc/38/64/73/924386473.db2.gz ZDHPBWZQYXUXEZ-IUCAKERBSA-N 1 1 310.358 -1.703 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)c1cn[nH]n1 ZINC001394777783 924386505 /nfs/dbraw/zinc/38/65/05/924386505.db2.gz RSIVUIWQFUIPSI-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)c1cn[nH]n1 ZINC001394777783 924386508 /nfs/dbraw/zinc/38/65/08/924386508.db2.gz RSIVUIWQFUIPSI-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394777266 924386695 /nfs/dbraw/zinc/38/66/95/924386695.db2.gz WQASTQKIRLEEQT-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394777266 924386705 /nfs/dbraw/zinc/38/67/05/924386705.db2.gz WQASTQKIRLEEQT-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)n(C)n1 ZINC001394772896 924386723 /nfs/dbraw/zinc/38/67/23/924386723.db2.gz ZVXDUHSKINPCRR-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)n(C)n1 ZINC001394772896 924386732 /nfs/dbraw/zinc/38/67/32/924386732.db2.gz ZVXDUHSKINPCRR-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)nn1 ZINC001394776184 924386891 /nfs/dbraw/zinc/38/68/91/924386891.db2.gz MTDHXDCBACRQOD-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)nn1 ZINC001394776184 924386900 /nfs/dbraw/zinc/38/69/00/924386900.db2.gz MTDHXDCBACRQOD-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2nc[nH]c2n1 ZINC001394785570 924387466 /nfs/dbraw/zinc/38/74/66/924387466.db2.gz KAQVWCJBDHTRFU-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2nc[nH]c2n1 ZINC001394785570 924387475 /nfs/dbraw/zinc/38/74/75/924387475.db2.gz KAQVWCJBDHTRFU-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001394782334 924387669 /nfs/dbraw/zinc/38/76/69/924387669.db2.gz FISRBFNWZZXNSO-SNVBAGLBSA-N 1 1 313.358 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001394782334 924387678 /nfs/dbraw/zinc/38/76/78/924387678.db2.gz FISRBFNWZZXNSO-SNVBAGLBSA-N 1 1 313.358 -1.041 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001394785571 924387790 /nfs/dbraw/zinc/38/77/90/924387790.db2.gz PVLGMPAHCMLMMQ-JTQLQIEISA-N 1 1 310.420 -1.847 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783425 924388144 /nfs/dbraw/zinc/38/81/44/924388144.db2.gz MJRLPAAVQJOKHR-UWVGGRQHSA-N 1 1 300.359 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786617 924388971 /nfs/dbraw/zinc/38/89/71/924388971.db2.gz BFPZIBADOLOQGU-NEPJUHHUSA-N 1 1 324.381 -1.527 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786617 924388976 /nfs/dbraw/zinc/38/89/76/924388976.db2.gz BFPZIBADOLOQGU-NEPJUHHUSA-N 1 1 324.381 -1.527 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1cncn1 ZINC001394786484 924389402 /nfs/dbraw/zinc/38/94/02/924389402.db2.gz ATEFXAFJODFIDG-CYBMUJFWSA-N 1 1 321.385 -1.074 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001394793005 924390226 /nfs/dbraw/zinc/39/02/26/924390226.db2.gz PPULSSXWTNGSRG-NEPJUHHUSA-N 1 1 324.443 -1.059 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001394793005 924390233 /nfs/dbraw/zinc/39/02/33/924390233.db2.gz PPULSSXWTNGSRG-NEPJUHHUSA-N 1 1 324.443 -1.059 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001394793122 924390279 /nfs/dbraw/zinc/39/02/79/924390279.db2.gz LTTTXUMKZYAOKC-JTQLQIEISA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001394793122 924390292 /nfs/dbraw/zinc/39/02/92/924390292.db2.gz LTTTXUMKZYAOKC-JTQLQIEISA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1ccnc1 ZINC001394794074 924390327 /nfs/dbraw/zinc/39/03/27/924390327.db2.gz VKQRVOSMACJQQH-CYBMUJFWSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1ccnc1 ZINC001394794074 924390339 /nfs/dbraw/zinc/39/03/39/924390339.db2.gz VKQRVOSMACJQQH-CYBMUJFWSA-N 1 1 323.397 -1.134 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncnc1 ZINC001394787839 924390423 /nfs/dbraw/zinc/39/04/23/924390423.db2.gz YKUSLGMJUMNXFH-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncnc1 ZINC001394787839 924390431 /nfs/dbraw/zinc/39/04/31/924390431.db2.gz YKUSLGMJUMNXFH-CYBMUJFWSA-N 1 1 323.397 -1.094 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394791377 924390616 /nfs/dbraw/zinc/39/06/16/924390616.db2.gz OIZAHWQLFJHHPY-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790955 924391383 /nfs/dbraw/zinc/39/13/83/924391383.db2.gz DVQOWCGINRUABE-WDEREUQCSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790955 924391395 /nfs/dbraw/zinc/39/13/95/924391395.db2.gz DVQOWCGINRUABE-WDEREUQCSA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001394795890 924391650 /nfs/dbraw/zinc/39/16/50/924391650.db2.gz XNYSFTLDXPHTMA-NEPJUHHUSA-N 1 1 324.385 -1.740 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(C(N)=O)n1 ZINC001394793193 924391776 /nfs/dbraw/zinc/39/17/76/924391776.db2.gz UOKOUSKVGYXHNO-MNOVXSKESA-N 1 1 324.381 -1.074 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(C(N)=O)n1 ZINC001394793196 924391839 /nfs/dbraw/zinc/39/18/39/924391839.db2.gz UOKOUSKVGYXHNO-WDEREUQCSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001394790573 924391984 /nfs/dbraw/zinc/39/19/84/924391984.db2.gz LCIKTEAWDGGTJE-PWSUYJOCSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001394790573 924391989 /nfs/dbraw/zinc/39/19/89/924391989.db2.gz LCIKTEAWDGGTJE-PWSUYJOCSA-N 1 1 323.397 -1.249 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793023 924392026 /nfs/dbraw/zinc/39/20/26/924392026.db2.gz TZOLZXQXUOKLLO-PWSUYJOCSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793023 924392028 /nfs/dbraw/zinc/39/20/28/924392028.db2.gz TZOLZXQXUOKLLO-PWSUYJOCSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1ccnc1 ZINC001394794076 924392059 /nfs/dbraw/zinc/39/20/59/924392059.db2.gz VKQRVOSMACJQQH-ZDUSSCGKSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1ccnc1 ZINC001394794076 924392062 /nfs/dbraw/zinc/39/20/62/924392062.db2.gz VKQRVOSMACJQQH-ZDUSSCGKSA-N 1 1 323.397 -1.134 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394791379 924392258 /nfs/dbraw/zinc/39/22/58/924392258.db2.gz OIZAHWQLFJHHPY-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C[C@H](O)CN(C)[C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001394796420 924393994 /nfs/dbraw/zinc/39/39/94/924393994.db2.gz ZADBKDSNLHRSAL-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@H+](CCNC(=O)C(F)F)[C@H](C)C(=O)NC(N)=O ZINC001394833456 924394538 /nfs/dbraw/zinc/39/45/38/924394538.db2.gz WMUBDAPVQSAUFB-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO COCC[N@@H+](CCNC(=O)C(F)F)[C@H](C)C(=O)NC(N)=O ZINC001394833456 924394545 /nfs/dbraw/zinc/39/45/45/924394545.db2.gz WMUBDAPVQSAUFB-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001394850304 924394710 /nfs/dbraw/zinc/39/47/10/924394710.db2.gz BANBAMXYIQYKII-UHFFFAOYSA-N 1 1 324.389 -1.392 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCNC1=O ZINC001394837441 924394745 /nfs/dbraw/zinc/39/47/45/924394745.db2.gz OLQYZJHYASSWEO-ZJUUUORDSA-N 1 1 313.358 -2.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCNC1=O ZINC001394837441 924394748 /nfs/dbraw/zinc/39/47/48/924394748.db2.gz OLQYZJHYASSWEO-ZJUUUORDSA-N 1 1 313.358 -2.379 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395064529 924400554 /nfs/dbraw/zinc/40/05/54/924400554.db2.gz ZWMGCRYFHSSBOC-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395124440 924402455 /nfs/dbraw/zinc/40/24/55/924402455.db2.gz FOZRHQCBEKFHQI-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395124440 924402460 /nfs/dbraw/zinc/40/24/60/924402460.db2.gz FOZRHQCBEKFHQI-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001395097222 924402753 /nfs/dbraw/zinc/40/27/53/924402753.db2.gz HGYJQXMRHOBUAD-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001395097216 924403053 /nfs/dbraw/zinc/40/30/53/924403053.db2.gz HGYJQXMRHOBUAD-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001395210184 924411115 /nfs/dbraw/zinc/41/11/15/924411115.db2.gz ZXBWUPHSUBIEJF-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001395210184 924411120 /nfs/dbraw/zinc/41/11/20/924411120.db2.gz ZXBWUPHSUBIEJF-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395519963 924416695 /nfs/dbraw/zinc/41/66/95/924416695.db2.gz RIUYHTUJONWREK-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395519963 924416699 /nfs/dbraw/zinc/41/66/99/924416699.db2.gz RIUYHTUJONWREK-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001395539241 924418908 /nfs/dbraw/zinc/41/89/08/924418908.db2.gz MPSPZYZWSYVKQM-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395582213 924419824 /nfs/dbraw/zinc/41/98/24/924419824.db2.gz KTAYRXYRGCIIID-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001395587071 924420181 /nfs/dbraw/zinc/42/01/81/924420181.db2.gz VKURAQJKVLIMCV-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CC(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395686535 924429658 /nfs/dbraw/zinc/42/96/58/924429658.db2.gz PUUJZBDBOKHPMM-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395686535 924429662 /nfs/dbraw/zinc/42/96/62/924429662.db2.gz PUUJZBDBOKHPMM-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)Cn1c[nH+]cc1C ZINC001395686562 924430296 /nfs/dbraw/zinc/43/02/96/924430296.db2.gz QFLZUNOMBUODDA-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001395692980 924434943 /nfs/dbraw/zinc/43/49/43/924434943.db2.gz QJTHHACYDBTNDE-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001395692060 924435050 /nfs/dbraw/zinc/43/50/50/924435050.db2.gz KPYLPCLHGTWTPR-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001395692060 924435054 /nfs/dbraw/zinc/43/50/54/924435054.db2.gz KPYLPCLHGTWTPR-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001395700504 924438831 /nfs/dbraw/zinc/43/88/31/924438831.db2.gz IHDSIELJFCETEK-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001395701753 924439502 /nfs/dbraw/zinc/43/95/02/924439502.db2.gz XHYJOEYSYRWWKF-RYUDHWBXSA-N 1 1 310.354 -1.179 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395701392 924439650 /nfs/dbraw/zinc/43/96/50/924439650.db2.gz WXFFLMSQOCKYFM-MNOVXSKESA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703884 924441246 /nfs/dbraw/zinc/44/12/46/924441246.db2.gz VJPMNAUGRQCWKH-VHSXEESVSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703884 924441252 /nfs/dbraw/zinc/44/12/52/924441252.db2.gz VJPMNAUGRQCWKH-VHSXEESVSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1n[nH]cc1F ZINC001395707978 924442325 /nfs/dbraw/zinc/44/23/25/924442325.db2.gz ICZGCQCORBLFKH-SCZZXKLOSA-N 1 1 313.333 -1.150 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395707760 924442564 /nfs/dbraw/zinc/44/25/64/924442564.db2.gz MGMBCQLCGRDRJR-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395707760 924442569 /nfs/dbraw/zinc/44/25/69/924442569.db2.gz MGMBCQLCGRDRJR-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395709684 924443605 /nfs/dbraw/zinc/44/36/05/924443605.db2.gz MTEYALGDAICOLV-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001395711230 924445466 /nfs/dbraw/zinc/44/54/66/924445466.db2.gz TXYNTLZSQFBRTM-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001395715405 924447092 /nfs/dbraw/zinc/44/70/92/924447092.db2.gz LIKQRVNNSISORL-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001395715852 924447180 /nfs/dbraw/zinc/44/71/80/924447180.db2.gz MGMZAMAASNVXTM-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001395715407 924447313 /nfs/dbraw/zinc/44/73/13/924447313.db2.gz LIKQRVNNSISORL-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCNC(N)=O)C1 ZINC001395725239 924450713 /nfs/dbraw/zinc/45/07/13/924450713.db2.gz ADOZJQUDKJWJNX-NXEZZACHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ncccn2)C1 ZINC001395733837 924454162 /nfs/dbraw/zinc/45/41/62/924454162.db2.gz CYIJVVOGBGYCND-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001395731538 924454193 /nfs/dbraw/zinc/45/41/93/924454193.db2.gz CZLHIOORLHPGDI-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001395731539 924454232 /nfs/dbraw/zinc/45/42/32/924454232.db2.gz CZLHIOORLHPGDI-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001395732784 924454417 /nfs/dbraw/zinc/45/44/17/924454417.db2.gz ZZUWYSVCSKVBLO-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001395733890 924454549 /nfs/dbraw/zinc/45/45/49/924454549.db2.gz NPQPWBTVBQKTKJ-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1csnn1 ZINC001395736707 924455917 /nfs/dbraw/zinc/45/59/17/924455917.db2.gz XZGVZZJVUPMGGE-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001395737419 924456411 /nfs/dbraw/zinc/45/64/11/924456411.db2.gz NJQSKXVSFZNPPR-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737419 924456417 /nfs/dbraw/zinc/45/64/17/924456417.db2.gz NJQSKXVSFZNPPR-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737419 924456423 /nfs/dbraw/zinc/45/64/23/924456423.db2.gz NJQSKXVSFZNPPR-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnsn2)C1 ZINC001395741219 924457755 /nfs/dbraw/zinc/45/77/55/924457755.db2.gz XHKMLYKYMBMQBA-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnsn2)C1 ZINC001395741214 924458087 /nfs/dbraw/zinc/45/80/87/924458087.db2.gz XHKMLYKYMBMQBA-BDAKNGLRSA-N 1 1 313.383 -1.303 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)CC[N@H+]1C ZINC001395744257 924459200 /nfs/dbraw/zinc/45/92/00/924459200.db2.gz QDQITNGTMGIYKJ-KXUCPTDWSA-N 1 1 315.374 -2.412 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1cnon1)C1CCC1 ZINC001395745410 924459295 /nfs/dbraw/zinc/45/92/95/924459295.db2.gz DNPFJRSBERAFEP-SECBINFHSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001395744357 924459352 /nfs/dbraw/zinc/45/93/52/924459352.db2.gz OSBTXPUBIGUWTK-GFCCVEGCSA-N 1 1 311.386 -1.114 20 0 DAADMO Cn1nncc1C(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001395749006 924461198 /nfs/dbraw/zinc/46/11/98/924461198.db2.gz QRXBSTBSOMYIDX-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395751984 924462028 /nfs/dbraw/zinc/46/20/28/924462028.db2.gz BRZVUBRMJALNCF-VHSXEESVSA-N 1 1 311.342 -1.463 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cncn1C ZINC001395753270 924463156 /nfs/dbraw/zinc/46/31/56/924463156.db2.gz BIGRJEFZWBMSIU-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCCC(N)=O ZINC001395754245 924463389 /nfs/dbraw/zinc/46/33/89/924463389.db2.gz ARJGWSQECLGSFH-QWRGUYRKSA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nnc[nH]1 ZINC001395762081 924466677 /nfs/dbraw/zinc/46/66/77/924466677.db2.gz PIUBFTZYCDOJJR-UWVGGRQHSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1nonc1C ZINC001395763118 924466770 /nfs/dbraw/zinc/46/67/70/924466770.db2.gz LMHNJCCTCBODQP-SNVBAGLBSA-N 1 1 322.325 -1.210 20 0 DAADMO COCC1(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001395766539 924468539 /nfs/dbraw/zinc/46/85/39/924468539.db2.gz YLLXQWFFZAAZTK-NWDGAFQWSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2nnc[nH]2)C1 ZINC001395767007 924468950 /nfs/dbraw/zinc/46/89/50/924468950.db2.gz QWVYZWUKTXBUOX-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767007 924468953 /nfs/dbraw/zinc/46/89/53/924468953.db2.gz QWVYZWUKTXBUOX-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ncn[nH]2)C1 ZINC001395767007 924468958 /nfs/dbraw/zinc/46/89/58/924468958.db2.gz QWVYZWUKTXBUOX-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767007 924468962 /nfs/dbraw/zinc/46/89/62/924468962.db2.gz QWVYZWUKTXBUOX-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2nc[nH]n2)C1 ZINC001395767007 924468967 /nfs/dbraw/zinc/46/89/67/924468967.db2.gz QWVYZWUKTXBUOX-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1COCCO1 ZINC001395773736 924469748 /nfs/dbraw/zinc/46/97/48/924469748.db2.gz BTFOXPCUYRYOSD-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395772969 924469845 /nfs/dbraw/zinc/46/98/45/924469845.db2.gz HYGBLMZCGXZZQM-KIJLLGNVSA-N 1 1 311.382 -1.434 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395777039 924472480 /nfs/dbraw/zinc/47/24/80/924472480.db2.gz KOSFKYPLPPCYFK-WCQYABFASA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnn2)C1 ZINC001395791624 924476755 /nfs/dbraw/zinc/47/67/55/924476755.db2.gz LOZXGQISTLNDNI-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnon2)C1 ZINC001395790218 924476855 /nfs/dbraw/zinc/47/68/55/924476855.db2.gz GOODTLAPBJYWND-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnn2)C1 ZINC001395791630 924478740 /nfs/dbraw/zinc/47/87/40/924478740.db2.gz LOZXGQISTLNDNI-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cncn2C)C1 ZINC001395808260 924482024 /nfs/dbraw/zinc/48/20/24/924482024.db2.gz PBASLLDEXHUTRN-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2ccn(C)n2)C1 ZINC001395811100 924483746 /nfs/dbraw/zinc/48/37/46/924483746.db2.gz XFIYKSWILZPONF-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001395811217 924483911 /nfs/dbraw/zinc/48/39/11/924483911.db2.gz XQYCGDIUYTUOQN-NWDGAFQWSA-N 1 1 324.381 -1.006 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001395809936 924484101 /nfs/dbraw/zinc/48/41/01/924484101.db2.gz UOHFJNWEOPLEJH-ZYHUDNBSSA-N 1 1 309.370 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001395810349 924484428 /nfs/dbraw/zinc/48/44/28/924484428.db2.gz CXOCJVGIHNVVCV-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001395817074 924485585 /nfs/dbraw/zinc/48/55/85/924485585.db2.gz JMKFUCWYEMTZSV-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817074 924485587 /nfs/dbraw/zinc/48/55/87/924485587.db2.gz JMKFUCWYEMTZSV-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817074 924485591 /nfs/dbraw/zinc/48/55/91/924485591.db2.gz JMKFUCWYEMTZSV-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395959992 924491126 /nfs/dbraw/zinc/49/11/26/924491126.db2.gz AYJWBQOWJSYLMN-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)Cc1ccn[nH]1 ZINC001395984530 924493730 /nfs/dbraw/zinc/49/37/30/924493730.db2.gz GDXFKXUOWSICBA-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396006769 924497924 /nfs/dbraw/zinc/49/79/24/924497924.db2.gz LSLXEJUUYCDEOS-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396006769 924497927 /nfs/dbraw/zinc/49/79/27/924497927.db2.gz LSLXEJUUYCDEOS-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396006769 924497931 /nfs/dbraw/zinc/49/79/31/924497931.db2.gz LSLXEJUUYCDEOS-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001396035409 924502814 /nfs/dbraw/zinc/50/28/14/924502814.db2.gz PZOWTWLYHSWQTK-UWVGGRQHSA-N 1 1 312.374 -1.306 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001396035409 924502823 /nfs/dbraw/zinc/50/28/23/924502823.db2.gz PZOWTWLYHSWQTK-UWVGGRQHSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnn(C)n1 ZINC001396037293 924503063 /nfs/dbraw/zinc/50/30/63/924503063.db2.gz OFBUFYNXIREHSB-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001396376397 924515227 /nfs/dbraw/zinc/51/52/27/924515227.db2.gz LBVHIDFCUUKHML-IJLUTSLNSA-N 1 1 312.370 -2.238 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001396394032 924519433 /nfs/dbraw/zinc/51/94/33/924519433.db2.gz ZKIUZESKKNRVSJ-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1O ZINC001396432195 924525288 /nfs/dbraw/zinc/52/52/88/924525288.db2.gz AUNNXBMCAWGKBW-NEPJUHHUSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1O ZINC001396434097 924526664 /nfs/dbraw/zinc/52/66/64/924526664.db2.gz LTARLYCHSGBVQC-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O ZINC001396437092 924527175 /nfs/dbraw/zinc/52/71/75/924527175.db2.gz DMOJYEGTOXBOEC-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001396733387 924538668 /nfs/dbraw/zinc/53/86/68/924538668.db2.gz QGRFQCLDGIVZQA-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001396763910 924541264 /nfs/dbraw/zinc/54/12/64/924541264.db2.gz OPSRTJOJUAZVBM-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1ncn(C)c1=O ZINC001397003706 924552554 /nfs/dbraw/zinc/55/25/54/924552554.db2.gz XIIKLSLOKJFEKZ-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040893 924554957 /nfs/dbraw/zinc/55/49/57/924554957.db2.gz VKARDXGTMRMTST-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040893 924554965 /nfs/dbraw/zinc/55/49/65/924554965.db2.gz VKARDXGTMRMTST-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C1CCC1 ZINC001397120594 924558910 /nfs/dbraw/zinc/55/89/10/924558910.db2.gz SVBBCYHVQDAFKU-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001397214348 924562514 /nfs/dbraw/zinc/56/25/14/924562514.db2.gz RIQYKYFWTIZFHK-FRRDWIJNSA-N 1 1 324.385 -1.539 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001397214877 924562851 /nfs/dbraw/zinc/56/28/51/924562851.db2.gz LJGHXOJVPMGDNJ-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001397188603 924562988 /nfs/dbraw/zinc/56/29/88/924562988.db2.gz BATVVCXUIWXEMO-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001397188603 924563000 /nfs/dbraw/zinc/56/30/00/924563000.db2.gz BATVVCXUIWXEMO-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCOC)CC[C@@H]2C1 ZINC001397211804 924563356 /nfs/dbraw/zinc/56/33/56/924563356.db2.gz DJXSHUOMFPQPNM-NEPJUHHUSA-N 1 1 319.427 -1.038 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 ZINC001397187359 924563507 /nfs/dbraw/zinc/56/35/07/924563507.db2.gz AOOIZGKMGMMQML-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO COCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001397207981 924564028 /nfs/dbraw/zinc/56/40/28/924564028.db2.gz HCLOLIQMMMEOEW-SNVBAGLBSA-N 1 1 316.358 -1.887 20 0 DAADMO COCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(=O)NC(N)=O)C1 ZINC001397207981 924564033 /nfs/dbraw/zinc/56/40/33/924564033.db2.gz HCLOLIQMMMEOEW-SNVBAGLBSA-N 1 1 316.358 -1.887 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 ZINC001397187377 924564095 /nfs/dbraw/zinc/56/40/95/924564095.db2.gz AOOIZGKMGMMQML-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO Cc1ccnn1CC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397228877 924564995 /nfs/dbraw/zinc/56/49/95/924564995.db2.gz RGNUXFHBALVZEI-ZDUSSCGKSA-N 1 1 323.397 -1.038 20 0 DAADMO Cc1ccnn1CC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397228877 924565003 /nfs/dbraw/zinc/56/50/03/924565003.db2.gz RGNUXFHBALVZEI-ZDUSSCGKSA-N 1 1 323.397 -1.038 20 0 DAADMO Cc1c(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)nnn1C ZINC001397224546 924565231 /nfs/dbraw/zinc/56/52/31/924565231.db2.gz ZSSCNJCJYJYQPO-NSHDSACASA-N 1 1 324.385 -1.492 20 0 DAADMO Cc1c(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)nnn1C ZINC001397224546 924565238 /nfs/dbraw/zinc/56/52/38/924565238.db2.gz ZSSCNJCJYJYQPO-NSHDSACASA-N 1 1 324.385 -1.492 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001397217693 924565565 /nfs/dbraw/zinc/56/55/65/924565565.db2.gz PDHBZIFWIMHGBU-GFCCVEGCSA-N 1 1 312.374 -1.659 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001397217696 924565844 /nfs/dbraw/zinc/56/58/44/924565844.db2.gz PDHBZIFWIMHGBU-LBPRGKRZSA-N 1 1 312.374 -1.659 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001397216924 924566038 /nfs/dbraw/zinc/56/60/38/924566038.db2.gz QUPNSKXIUQENGN-RYUDHWBXSA-N 1 1 312.374 -1.661 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCn2cncn2)CC1 ZINC001397285002 924566515 /nfs/dbraw/zinc/56/65/15/924566515.db2.gz VUEADPPBHACCBU-UHFFFAOYSA-N 1 1 324.385 -1.561 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001397258628 924566621 /nfs/dbraw/zinc/56/66/21/924566621.db2.gz KPMUFASLUWQABU-AEJSXWLSSA-N 1 1 320.415 -1.751 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001397258628 924566627 /nfs/dbraw/zinc/56/66/27/924566627.db2.gz KPMUFASLUWQABU-AEJSXWLSSA-N 1 1 320.415 -1.751 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001397262961 924567079 /nfs/dbraw/zinc/56/70/79/924567079.db2.gz XBPPLJKWBNDANJ-USWWRNFRSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001397260144 924567146 /nfs/dbraw/zinc/56/71/46/924567146.db2.gz NWTBWKAMPIZDRQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC001397260144 924567153 /nfs/dbraw/zinc/56/71/53/924567153.db2.gz NWTBWKAMPIZDRQ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397374261 924571473 /nfs/dbraw/zinc/57/14/73/924571473.db2.gz CEOXNPGIANZJHQ-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397374261 924571483 /nfs/dbraw/zinc/57/14/83/924571483.db2.gz CEOXNPGIANZJHQ-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001397401195 924574804 /nfs/dbraw/zinc/57/48/04/924574804.db2.gz KWEBNWUKZAFHTK-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001397401195 924574809 /nfs/dbraw/zinc/57/48/09/924574809.db2.gz KWEBNWUKZAFHTK-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397457733 924580178 /nfs/dbraw/zinc/58/01/78/924580178.db2.gz WORLRZRXPYTCMP-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397457733 924580187 /nfs/dbraw/zinc/58/01/87/924580187.db2.gz WORLRZRXPYTCMP-ZJUUUORDSA-N 1 1 311.346 -2.375 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CNC(=O)NC ZINC001397464601 924580425 /nfs/dbraw/zinc/58/04/25/924580425.db2.gz UNDJCEHZDMCWGT-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(NC(N)=O)CC1 ZINC001397449145 924580721 /nfs/dbraw/zinc/58/07/21/924580721.db2.gz QIHMWMJSENOBNC-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)CNC(=O)NC ZINC001397464603 924580948 /nfs/dbraw/zinc/58/09/48/924580948.db2.gz UNDJCEHZDMCWGT-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397523062 924585361 /nfs/dbraw/zinc/58/53/61/924585361.db2.gz JNPHBJHJHNLHIW-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397523056 924586068 /nfs/dbraw/zinc/58/60/68/924586068.db2.gz JNPHBJHJHNLHIW-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCNC(=O)C1 ZINC001397553137 924589284 /nfs/dbraw/zinc/58/92/84/924589284.db2.gz SLFTUPKWCUYVKQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CCCC2=O)C1 ZINC001397560309 924589945 /nfs/dbraw/zinc/58/99/45/924589945.db2.gz POHKAXIGSBCDMN-PHIMTYICSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)NC(=O)CC[NH+]1CCOCC1 ZINC001397594376 924591666 /nfs/dbraw/zinc/59/16/66/924591666.db2.gz LABLDUDJEBOISS-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001397619004 924592454 /nfs/dbraw/zinc/59/24/54/924592454.db2.gz WODYUDPCVUUUJY-MXWKQRLJSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CCn2cncn2)C1 ZINC001397627640 924592834 /nfs/dbraw/zinc/59/28/34/924592834.db2.gz ZAXUNAVUWVDHQV-XYPYZODXSA-N 1 1 319.373 -1.124 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001397627504 924593717 /nfs/dbraw/zinc/59/37/17/924593717.db2.gz JFVAXXNVQZISGD-XYPYZODXSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001397656157 924594837 /nfs/dbraw/zinc/59/48/37/924594837.db2.gz ICABNSRFMASWTJ-NSHDSACASA-N 1 1 322.369 -1.175 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001397657021 924595491 /nfs/dbraw/zinc/59/54/91/924595491.db2.gz XWZZKPKZENRFJN-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@@H]2CCN(C)C2=O)cc(=O)[nH]1 ZINC001397736820 924596148 /nfs/dbraw/zinc/59/61/48/924596148.db2.gz YFCANCOVFIQJKV-SNVBAGLBSA-N 1 1 323.353 -1.235 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001397777276 924597980 /nfs/dbraw/zinc/59/79/80/924597980.db2.gz NDRLCVLNBFRXNY-SNVBAGLBSA-N 1 1 311.346 -2.556 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001397777276 924597983 /nfs/dbraw/zinc/59/79/83/924597983.db2.gz NDRLCVLNBFRXNY-SNVBAGLBSA-N 1 1 311.346 -2.556 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001397778738 924598472 /nfs/dbraw/zinc/59/84/72/924598472.db2.gz YHRFUSJMGOSLMQ-AXFHLTTASA-N 1 1 312.370 -2.122 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001397778738 924598481 /nfs/dbraw/zinc/59/84/81/924598481.db2.gz YHRFUSJMGOSLMQ-AXFHLTTASA-N 1 1 312.370 -2.122 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H]1C ZINC001397776609 924598539 /nfs/dbraw/zinc/59/85/39/924598539.db2.gz MFDDOCVSFLWBCG-MXWKQRLJSA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001397771674 924598900 /nfs/dbraw/zinc/59/89/00/924598900.db2.gz JJEXTFFJMIMOQL-WOPDTQHZSA-N 1 1 324.385 -1.389 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001397778289 924599186 /nfs/dbraw/zinc/59/91/86/924599186.db2.gz YUCUWLUQKYJSTN-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001397778289 924599196 /nfs/dbraw/zinc/59/91/96/924599196.db2.gz YUCUWLUQKYJSTN-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)CC[N@H+]1CCO ZINC001397757327 924599413 /nfs/dbraw/zinc/59/94/13/924599413.db2.gz PRXMEPVRMZNANZ-OUAUKWLOSA-N 1 1 307.416 -1.115 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)[C@@H]1C ZINC001397792436 924601229 /nfs/dbraw/zinc/60/12/29/924601229.db2.gz OMOJBWCLHWCUAO-VWYCJHECSA-N 1 1 323.415 -1.878 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001397882682 924606073 /nfs/dbraw/zinc/60/60/73/924606073.db2.gz MAMUPSQEGLBULB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ncccn1 ZINC001397885220 924606699 /nfs/dbraw/zinc/60/66/99/924606699.db2.gz MIJSFVDEIVLMSU-LLVKDONJSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ncccn1 ZINC001397885220 924606708 /nfs/dbraw/zinc/60/67/08/924606708.db2.gz MIJSFVDEIVLMSU-LLVKDONJSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ccnn1C ZINC001397875033 924606832 /nfs/dbraw/zinc/60/68/32/924606832.db2.gz AGNPBWOBNSPMCD-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccnn1C ZINC001397875033 924606836 /nfs/dbraw/zinc/60/68/36/924606836.db2.gz AGNPBWOBNSPMCD-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397891880 924608156 /nfs/dbraw/zinc/60/81/56/924608156.db2.gz WIDJEOFDNCGXAU-JTQLQIEISA-N 1 1 310.358 -1.368 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397891880 924608161 /nfs/dbraw/zinc/60/81/61/924608161.db2.gz WIDJEOFDNCGXAU-JTQLQIEISA-N 1 1 310.358 -1.368 20 0 DAADMO Cc1nnc(CC(=O)N(C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001397891374 924608254 /nfs/dbraw/zinc/60/82/54/924608254.db2.gz XYVUWGPUAMDRDV-LLVKDONJSA-N 1 1 324.385 -1.439 20 0 DAADMO Cc1nnc(CC(=O)N(C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001397891374 924608262 /nfs/dbraw/zinc/60/82/62/924608262.db2.gz XYVUWGPUAMDRDV-LLVKDONJSA-N 1 1 324.385 -1.439 20 0 DAADMO CN(CCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397934418 924612825 /nfs/dbraw/zinc/61/28/25/924612825.db2.gz DNPSRJTWPOZGQV-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001397941486 924614661 /nfs/dbraw/zinc/61/46/61/924614661.db2.gz QRJCUYSZQCSBOO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001398009006 924620084 /nfs/dbraw/zinc/62/00/84/924620084.db2.gz GKUSSKBCNHPABB-JTQLQIEISA-N 1 1 308.342 -1.552 20 0 DAADMO CCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001398086588 924624581 /nfs/dbraw/zinc/62/45/81/924624581.db2.gz FRVHRWGKGCRXOH-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001398086588 924624586 /nfs/dbraw/zinc/62/45/86/924624586.db2.gz FRVHRWGKGCRXOH-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CC)C(=O)[C@@H]1CNC(=O)N1 ZINC001398127746 924625564 /nfs/dbraw/zinc/62/55/64/924625564.db2.gz SQRGWKJWYXDYOJ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CCNC(=O)c1nnn(C)n1)C(=O)Cn1c[nH+]cc1C ZINC001398132737 924626587 /nfs/dbraw/zinc/62/65/87/924626587.db2.gz YOBKBXBHOMMVBK-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001398216552 924629293 /nfs/dbraw/zinc/62/92/93/924629293.db2.gz PVGKXMYFJNORRD-QWRGUYRKSA-N 1 1 303.359 -1.070 20 0 DAADMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001398250827 924630395 /nfs/dbraw/zinc/63/03/95/924630395.db2.gz LUBBWVAZMPZUKK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001398230402 924630739 /nfs/dbraw/zinc/63/07/39/924630739.db2.gz JEVDRKSCSUQMIC-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001398230402 924630746 /nfs/dbraw/zinc/63/07/46/924630746.db2.gz JEVDRKSCSUQMIC-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001398286168 924634638 /nfs/dbraw/zinc/63/46/38/924634638.db2.gz UWVZTTJLINAPLT-OLZOCXBDSA-N 1 1 309.370 -1.429 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001398303909 924635479 /nfs/dbraw/zinc/63/54/79/924635479.db2.gz RZPOEPKNUPMBKS-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309373 924636991 /nfs/dbraw/zinc/63/69/91/924636991.db2.gz MOGWZMVTHDPURM-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309373 924636997 /nfs/dbraw/zinc/63/69/97/924636997.db2.gz MOGWZMVTHDPURM-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309363 924637007 /nfs/dbraw/zinc/63/70/07/924637007.db2.gz MOGWZMVTHDPURM-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309363 924637011 /nfs/dbraw/zinc/63/70/11/924637011.db2.gz MOGWZMVTHDPURM-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001398336661 924637850 /nfs/dbraw/zinc/63/78/50/924637850.db2.gz TWNLOBJLCNKEPZ-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001398336661 924637855 /nfs/dbraw/zinc/63/78/55/924637855.db2.gz TWNLOBJLCNKEPZ-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329068 924638114 /nfs/dbraw/zinc/63/81/14/924638114.db2.gz KOAHLEHWNTWHDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329068 924638123 /nfs/dbraw/zinc/63/81/23/924638123.db2.gz KOAHLEHWNTWHDG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001398359915 924638237 /nfs/dbraw/zinc/63/82/37/924638237.db2.gz SXSDRAVDPMNLLL-SECBINFHSA-N 1 1 321.403 -2.216 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001398359915 924638243 /nfs/dbraw/zinc/63/82/43/924638243.db2.gz SXSDRAVDPMNLLL-SECBINFHSA-N 1 1 321.403 -2.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001398331844 924638570 /nfs/dbraw/zinc/63/85/70/924638570.db2.gz NCFRMVDPHGFXBP-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001398331844 924638577 /nfs/dbraw/zinc/63/85/77/924638577.db2.gz NCFRMVDPHGFXBP-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001398491339 924644168 /nfs/dbraw/zinc/64/41/68/924644168.db2.gz JPVCYSQRMMVEOI-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001398479167 924645215 /nfs/dbraw/zinc/64/52/15/924645215.db2.gz LMXMKPWCZQDLDA-KXNHARMFSA-N 1 1 312.370 -1.650 20 0 DAADMO CO[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCOC1 ZINC001398555580 924649394 /nfs/dbraw/zinc/64/93/94/924649394.db2.gz DRMKOLQGYXLZHV-ZPFDUUQYSA-N 1 1 324.385 -1.002 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398558339 924649578 /nfs/dbraw/zinc/64/95/78/924649578.db2.gz HDHURTARKZHUQW-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398558339 924649584 /nfs/dbraw/zinc/64/95/84/924649584.db2.gz HDHURTARKZHUQW-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO CO[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCOC1 ZINC001398555560 924649976 /nfs/dbraw/zinc/64/99/76/924649976.db2.gz DRMKOLQGYXLZHV-PRULPYPASA-N 1 1 324.385 -1.002 20 0 DAADMO CC(C)[C@H](C(=O)N1CC(NC(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001398563770 924651204 /nfs/dbraw/zinc/65/12/04/924651204.db2.gz SIAWSYUEJMLHNB-GFCCVEGCSA-N 1 1 319.427 -1.056 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CNC(=O)NC)C2)n1 ZINC001398612763 924656458 /nfs/dbraw/zinc/65/64/58/924656458.db2.gz CLAHEEWRQDJMSZ-AOOOYVTPSA-N 1 1 309.374 -1.036 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1)C1CCC1 ZINC001398627104 924656830 /nfs/dbraw/zinc/65/68/30/924656830.db2.gz RBIHEAUNQLMDGH-UHFFFAOYSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC001398616706 924657158 /nfs/dbraw/zinc/65/71/58/924657158.db2.gz CWIJHBQJCOQAJE-BBBLOLIVSA-N 1 1 315.399 -1.015 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001398632932 924658373 /nfs/dbraw/zinc/65/83/73/924658373.db2.gz IVJBRWQDANQICN-NHAGDIPZSA-N 1 1 323.393 -1.072 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001398639838 924660007 /nfs/dbraw/zinc/66/00/07/924660007.db2.gz QKTGXDNCHDCFDB-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001398644926 924660140 /nfs/dbraw/zinc/66/01/40/924660140.db2.gz QQEXOOJGOLZPDH-TXEJJXNPSA-N 1 1 323.401 -1.331 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)COCC(F)F)C2)C1 ZINC001398653119 924661393 /nfs/dbraw/zinc/66/13/93/924661393.db2.gz PUMTZGAFIVJRTK-JTQLQIEISA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)COCC(F)F)C2)C1 ZINC001398653119 924661400 /nfs/dbraw/zinc/66/14/00/924661400.db2.gz PUMTZGAFIVJRTK-JTQLQIEISA-N 1 1 321.324 -1.074 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001398663719 924661758 /nfs/dbraw/zinc/66/17/58/924661758.db2.gz IZAHDGBPNJCLNO-OCAPTIKFSA-N 1 1 319.412 -1.176 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001398676933 924663208 /nfs/dbraw/zinc/66/32/08/924663208.db2.gz XMRSQMDXXZVOEY-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001398666658 924663310 /nfs/dbraw/zinc/66/33/10/924663310.db2.gz IBDHZZKQGGPQEA-JTQLQIEISA-N 1 1 323.357 -1.699 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001398666658 924663318 /nfs/dbraw/zinc/66/33/18/924663318.db2.gz IBDHZZKQGGPQEA-JTQLQIEISA-N 1 1 323.357 -1.699 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001398676943 924663459 /nfs/dbraw/zinc/66/34/59/924663459.db2.gz XMRSQMDXXZVOEY-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001398689027 924663749 /nfs/dbraw/zinc/66/37/49/924663749.db2.gz LNCIWJWCWFKEMR-GHMZBOCLSA-N 1 1 312.374 -1.341 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001398689039 924663975 /nfs/dbraw/zinc/66/39/75/924663975.db2.gz LNCIWJWCWFKEMR-QWRGUYRKSA-N 1 1 312.374 -1.341 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398709113 924665368 /nfs/dbraw/zinc/66/53/68/924665368.db2.gz ZDQITFKYRDKTEY-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001398715666 924666481 /nfs/dbraw/zinc/66/64/81/924666481.db2.gz YNOGNEHYVUHFMY-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001398728520 924666696 /nfs/dbraw/zinc/66/66/96/924666696.db2.gz CEPADUKWNKOEMU-CHWSQXEVSA-N 1 1 313.398 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001398728520 924666703 /nfs/dbraw/zinc/66/67/03/924666703.db2.gz CEPADUKWNKOEMU-CHWSQXEVSA-N 1 1 313.398 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001398757479 924670282 /nfs/dbraw/zinc/67/02/82/924670282.db2.gz ZEFHUVXWTZAONY-LLVKDONJSA-N 1 1 311.386 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 ZINC001398796683 924672055 /nfs/dbraw/zinc/67/20/55/924672055.db2.gz PEYHUNKBLGFICS-KVSVUVNWSA-N 1 1 309.370 -1.107 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001398809418 924672915 /nfs/dbraw/zinc/67/29/15/924672915.db2.gz OFXBHLKGNXPIFL-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]12CCOC2 ZINC001398816139 924673992 /nfs/dbraw/zinc/67/39/92/924673992.db2.gz VKYVOIVLUPKAFW-DDRZYQNWSA-N 1 1 322.365 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]12CCOC2 ZINC001398816139 924673999 /nfs/dbraw/zinc/67/39/99/924673999.db2.gz VKYVOIVLUPKAFW-DDRZYQNWSA-N 1 1 322.365 -1.346 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CNC(=O)C1CC1)c1nnnn1C ZINC001398903429 924676923 /nfs/dbraw/zinc/67/69/23/924676923.db2.gz ZUQPXERLWCZING-DTWKUNHWSA-N 1 1 309.374 -1.108 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911052 924677574 /nfs/dbraw/zinc/67/75/74/924677574.db2.gz HISAWCSHKVRZGE-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911052 924677580 /nfs/dbraw/zinc/67/75/80/924677580.db2.gz HISAWCSHKVRZGE-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925513 924678973 /nfs/dbraw/zinc/67/89/73/924678973.db2.gz XDSRUYSBGVPDKO-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925513 924678980 /nfs/dbraw/zinc/67/89/80/924678980.db2.gz XDSRUYSBGVPDKO-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001398938500 924679060 /nfs/dbraw/zinc/67/90/60/924679060.db2.gz OCYDLWQTOHCBQA-BDAKNGLRSA-N 1 1 309.374 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925508 924679223 /nfs/dbraw/zinc/67/92/23/924679223.db2.gz XDSRUYSBGVPDKO-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925508 924679229 /nfs/dbraw/zinc/67/92/29/924679229.db2.gz XDSRUYSBGVPDKO-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001398933443 924679421 /nfs/dbraw/zinc/67/94/21/924679421.db2.gz WSVYBDDFKPKZJH-IUCAKERBSA-N 1 1 324.341 -1.489 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001398933518 924679472 /nfs/dbraw/zinc/67/94/72/924679472.db2.gz WSVYBDDFKPKZJH-RKDXNWHRSA-N 1 1 324.341 -1.489 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001398947728 924680389 /nfs/dbraw/zinc/68/03/89/924680389.db2.gz GUZHWBJNYDOUPN-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001398951864 924680493 /nfs/dbraw/zinc/68/04/93/924680493.db2.gz FFBCLSLJLLCSLF-IUCAKERBSA-N 1 1 322.373 -1.136 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001398955026 924681346 /nfs/dbraw/zinc/68/13/46/924681346.db2.gz MIEUNVGQASCVSC-SNVBAGLBSA-N 1 1 317.415 -1.046 20 0 DAADMO CC[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001398960696 924682368 /nfs/dbraw/zinc/68/23/68/924682368.db2.gz XHQDMXBSOANUQJ-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001398960696 924682378 /nfs/dbraw/zinc/68/23/78/924682378.db2.gz XHQDMXBSOANUQJ-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nccn1C ZINC001398966703 924682695 /nfs/dbraw/zinc/68/26/95/924682695.db2.gz QDGMNJMSISZLSN-JTQLQIEISA-N 1 1 307.358 -1.390 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[NH2+]Cc1ccon1 ZINC001398973755 924682734 /nfs/dbraw/zinc/68/27/34/924682734.db2.gz YNKUVNRQFATJEE-SNVBAGLBSA-N 1 1 321.337 -1.171 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001398988325 924683992 /nfs/dbraw/zinc/68/39/92/924683992.db2.gz TXSITMBNHCBNNA-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001399012316 924684672 /nfs/dbraw/zinc/68/46/72/924684672.db2.gz GLKBBGQSIVVGNO-VIFPVBQESA-N 1 1 310.358 -1.596 20 0 DAADMO COc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)nn1C ZINC001399000907 924684688 /nfs/dbraw/zinc/68/46/88/924684688.db2.gz LWVJHBXSKWGPRF-MRVPVSSYSA-N 1 1 308.346 -1.140 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1ncnn1CCF ZINC001399014663 924684756 /nfs/dbraw/zinc/68/47/56/924684756.db2.gz AYGNHIZMKDQFIE-MRVPVSSYSA-N 1 1 311.325 -1.321 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001399012301 924684864 /nfs/dbraw/zinc/68/48/64/924684864.db2.gz GLKBBGQSIVVGNO-SECBINFHSA-N 1 1 310.358 -1.596 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)nc1 ZINC001399026165 924685877 /nfs/dbraw/zinc/68/58/77/924685877.db2.gz NMKGJSGBSHQIKT-LBPRGKRZSA-N 1 1 320.397 -1.189 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001399044076 924686408 /nfs/dbraw/zinc/68/64/08/924686408.db2.gz YKEBKQIEULKDGB-IONNQARKSA-N 1 1 319.387 -1.090 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)nn1 ZINC001399047415 924686443 /nfs/dbraw/zinc/68/64/43/924686443.db2.gz ZYENEFZSUJBIKB-NSHDSACASA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1nnnn1C ZINC001399085327 924688296 /nfs/dbraw/zinc/68/82/96/924688296.db2.gz AOVXYEYXKOOZGF-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001399093954 924690072 /nfs/dbraw/zinc/69/00/72/924690072.db2.gz CUMAMFBLENLQGI-YUMQZZPRSA-N 1 1 318.403 -1.182 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)Cn1cncn1 ZINC001399102846 924690182 /nfs/dbraw/zinc/69/01/82/924690182.db2.gz JDESBDKHALNUET-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001399093946 924690231 /nfs/dbraw/zinc/69/02/31/924690231.db2.gz CUMAMFBLENLQGI-JGVFFNPUSA-N 1 1 318.403 -1.182 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001399158348 924691929 /nfs/dbraw/zinc/69/19/29/924691929.db2.gz GNVDFYWLCFGUQS-JTQLQIEISA-N 1 1 307.358 -1.165 20 0 DAADMO Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)[nH]1 ZINC001399253278 924692905 /nfs/dbraw/zinc/69/29/05/924692905.db2.gz PAOCENDRIJYXRD-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399243779 924693625 /nfs/dbraw/zinc/69/36/25/924693625.db2.gz BBIAJFGCPJJVNR-QWRGUYRKSA-N 1 1 309.374 -1.137 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001399275430 924695653 /nfs/dbraw/zinc/69/56/53/924695653.db2.gz PBSSWZHNVHRVCI-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001399275430 924695656 /nfs/dbraw/zinc/69/56/56/924695656.db2.gz PBSSWZHNVHRVCI-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399353201 924698171 /nfs/dbraw/zinc/69/81/71/924698171.db2.gz TYQKAEWDJCUCBT-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001399405880 924701395 /nfs/dbraw/zinc/70/13/95/924701395.db2.gz QUCWTZJQYZASAK-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001399405880 924701401 /nfs/dbraw/zinc/70/14/01/924701401.db2.gz QUCWTZJQYZASAK-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001399410631 924702408 /nfs/dbraw/zinc/70/24/08/924702408.db2.gz ZRFUQOJYEJTOKM-SECBINFHSA-N 1 1 323.357 -2.139 20 0 DAADMO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001399410631 924702411 /nfs/dbraw/zinc/70/24/11/924702411.db2.gz ZRFUQOJYEJTOKM-SECBINFHSA-N 1 1 323.357 -2.139 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)CCN1CCNC1=O ZINC001399434974 924702908 /nfs/dbraw/zinc/70/29/08/924702908.db2.gz TZOKHIOLEFXVEC-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO C[N@H+](CCNC(=O)C[C@](C)(O)C1CC1)CC(=O)NC(N)=O ZINC001399446449 924703123 /nfs/dbraw/zinc/70/31/23/924703123.db2.gz JAAISAKIMDVANA-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@](C)(O)C1CC1)CC(=O)NC(N)=O ZINC001399446449 924703128 /nfs/dbraw/zinc/70/31/28/924703128.db2.gz JAAISAKIMDVANA-ZDUSSCGKSA-N 1 1 300.359 -1.220 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001399480656 924703273 /nfs/dbraw/zinc/70/32/73/924703273.db2.gz HGFFORMEKFVAEV-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001399480656 924703279 /nfs/dbraw/zinc/70/32/79/924703279.db2.gz HGFFORMEKFVAEV-BFVZDQMLSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001399448651 924703938 /nfs/dbraw/zinc/70/39/38/924703938.db2.gz KVVGUDCRFDAXEO-VHSXEESVSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001399448651 924703945 /nfs/dbraw/zinc/70/39/45/924703945.db2.gz KVVGUDCRFDAXEO-VHSXEESVSA-N 1 1 320.415 -1.474 20 0 DAADMO CN(CCCS(C)(=O)=O)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399465312 924704185 /nfs/dbraw/zinc/70/41/85/924704185.db2.gz ZGIYCFKNFHLYBV-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CN(CCCS(C)(=O)=O)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399465312 924704188 /nfs/dbraw/zinc/70/41/88/924704188.db2.gz ZGIYCFKNFHLYBV-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001399480657 924704598 /nfs/dbraw/zinc/70/45/98/924704598.db2.gz HGFFORMEKFVAEV-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1COC2 ZINC001399480657 924704604 /nfs/dbraw/zinc/70/46/04/924704604.db2.gz HGFFORMEKFVAEV-BHDSKKPTSA-N 1 1 312.370 -1.085 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CN2CCCNC2=O)C1=O ZINC001399510771 924705721 /nfs/dbraw/zinc/70/57/21/924705721.db2.gz GJOCMTWOOZTRCC-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2CCCNC2=O)C1=O ZINC001399510771 924705729 /nfs/dbraw/zinc/70/57/29/924705729.db2.gz GJOCMTWOOZTRCC-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)c1=O ZINC001399512939 924705748 /nfs/dbraw/zinc/70/57/48/924705748.db2.gz DJGFBNZLLADARD-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)c1=O ZINC001399512939 924705756 /nfs/dbraw/zinc/70/57/56/924705756.db2.gz DJGFBNZLLADARD-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CCNC1=O ZINC001399507328 924705964 /nfs/dbraw/zinc/70/59/64/924705964.db2.gz OZCHBSYPIPGEAJ-VHSXEESVSA-N 1 1 322.369 -1.517 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CCNC1=O ZINC001399507328 924705971 /nfs/dbraw/zinc/70/59/71/924705971.db2.gz OZCHBSYPIPGEAJ-VHSXEESVSA-N 1 1 322.369 -1.517 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)c1ccncc1)[C@H]1CCNC1=O ZINC001399491341 924706187 /nfs/dbraw/zinc/70/61/87/924706187.db2.gz GTZKIDLWJQGFBX-LBPRGKRZSA-N 1 1 319.365 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)[C@H]1CCNC1=O ZINC001399491341 924706192 /nfs/dbraw/zinc/70/61/92/924706192.db2.gz GTZKIDLWJQGFBX-LBPRGKRZSA-N 1 1 319.365 -1.252 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001399495295 924706642 /nfs/dbraw/zinc/70/66/42/924706642.db2.gz NUFCYUXKVFBLTF-UHFFFAOYSA-N 1 1 312.330 -1.459 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001399495295 924706651 /nfs/dbraw/zinc/70/66/51/924706651.db2.gz NUFCYUXKVFBLTF-UHFFFAOYSA-N 1 1 312.330 -1.459 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCCNC1=O ZINC001399483751 924706856 /nfs/dbraw/zinc/70/68/56/924706856.db2.gz PSVHYLBOVPZRGT-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCCNC1=O ZINC001399483751 924706861 /nfs/dbraw/zinc/70/68/61/924706861.db2.gz PSVHYLBOVPZRGT-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)c1=O ZINC001399515396 924706999 /nfs/dbraw/zinc/70/69/99/924706999.db2.gz JRVPYCHGTOXFIT-UHFFFAOYSA-N 1 1 324.385 -1.844 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001399564337 924708380 /nfs/dbraw/zinc/70/83/80/924708380.db2.gz ANPVKTPROKGQRP-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001399564337 924708387 /nfs/dbraw/zinc/70/83/87/924708387.db2.gz ANPVKTPROKGQRP-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)NC1=O ZINC001399559277 924708415 /nfs/dbraw/zinc/70/84/15/924708415.db2.gz MLKWBQKIHQJWAO-SECBINFHSA-N 1 1 321.403 -2.393 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)NC1=O ZINC001399559277 924708423 /nfs/dbraw/zinc/70/84/23/924708423.db2.gz MLKWBQKIHQJWAO-SECBINFHSA-N 1 1 321.403 -2.393 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001399555815 924708450 /nfs/dbraw/zinc/70/84/50/924708450.db2.gz FIYYCNVLRXDAEX-QMMMGPOBSA-N 1 1 301.347 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O ZINC001399555815 924708457 /nfs/dbraw/zinc/70/84/57/924708457.db2.gz FIYYCNVLRXDAEX-QMMMGPOBSA-N 1 1 301.347 -1.999 20 0 DAADMO C[N@H+](CCNC(=O)CCCS(N)(=O)=O)[C@@H]1CCCNC1=O ZINC001399562976 924708709 /nfs/dbraw/zinc/70/87/09/924708709.db2.gz AWHFLTWXCKWUPI-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@@H]1CCCNC1=O ZINC001399562976 924708720 /nfs/dbraw/zinc/70/87/20/924708720.db2.gz AWHFLTWXCKWUPI-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001399565486 924709265 /nfs/dbraw/zinc/70/92/65/924709265.db2.gz AZPFMTYHBMEQQC-GFCCVEGCSA-N 1 1 304.322 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(F)CCOC1 ZINC001399565486 924709268 /nfs/dbraw/zinc/70/92/68/924709268.db2.gz AZPFMTYHBMEQQC-GFCCVEGCSA-N 1 1 304.322 -1.381 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001399565788 924709281 /nfs/dbraw/zinc/70/92/81/924709281.db2.gz BZHLRHVSINBFSL-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001399565788 924709288 /nfs/dbraw/zinc/70/92/88/924709288.db2.gz BZHLRHVSINBFSL-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001399565885 924709495 /nfs/dbraw/zinc/70/94/95/924709495.db2.gz BWRPNNSXUKFJPD-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccncn1 ZINC001399590349 924710375 /nfs/dbraw/zinc/71/03/75/924710375.db2.gz DDHJZVJLGKUOGR-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001399590349 924710385 /nfs/dbraw/zinc/71/03/85/924710385.db2.gz DDHJZVJLGKUOGR-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)[nH]c1=O ZINC001399568749 924711106 /nfs/dbraw/zinc/71/11/06/924711106.db2.gz IMHNXZLMWIRSIF-UHFFFAOYSA-N 1 1 310.358 -1.188 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001399615540 924713110 /nfs/dbraw/zinc/71/31/10/924713110.db2.gz FFZHSFXAVIUDIF-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001399615540 924713115 /nfs/dbraw/zinc/71/31/15/924713115.db2.gz FFZHSFXAVIUDIF-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001399652075 924713196 /nfs/dbraw/zinc/71/31/96/924713196.db2.gz TZCNVCCQOZZUPB-SECBINFHSA-N 1 1 312.374 -1.927 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001399652075 924713202 /nfs/dbraw/zinc/71/32/02/924713202.db2.gz TZCNVCCQOZZUPB-SECBINFHSA-N 1 1 312.374 -1.927 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001399654157 924713217 /nfs/dbraw/zinc/71/32/17/924713217.db2.gz CJKZYOMTBRBLFR-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001399654157 924713224 /nfs/dbraw/zinc/71/32/24/924713224.db2.gz CJKZYOMTBRBLFR-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001399636012 924713914 /nfs/dbraw/zinc/71/39/14/924713914.db2.gz KHHGXUCRLDHVKX-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001399636012 924713921 /nfs/dbraw/zinc/71/39/21/924713921.db2.gz KHHGXUCRLDHVKX-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)c(=O)n1C ZINC001399645466 924714104 /nfs/dbraw/zinc/71/41/04/924714104.db2.gz IJDFDWBSPLTQIF-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)c(=O)n1C ZINC001399645466 924714114 /nfs/dbraw/zinc/71/41/14/924714114.db2.gz IJDFDWBSPLTQIF-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001399652958 924714404 /nfs/dbraw/zinc/71/44/04/924714404.db2.gz FIHZSKISTOVYFE-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001399636014 924714654 /nfs/dbraw/zinc/71/46/54/924714654.db2.gz KHHGXUCRLDHVKX-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001399636014 924714660 /nfs/dbraw/zinc/71/46/60/924714660.db2.gz KHHGXUCRLDHVKX-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCN1CCCC1=O ZINC001399660132 924715255 /nfs/dbraw/zinc/71/52/55/924715255.db2.gz VECHSLUMKMFZBF-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)c1ccccn1)[C@H]1CCNC1=O ZINC001399673407 924715918 /nfs/dbraw/zinc/71/59/18/924715918.db2.gz UWNBYBZEOVNANB-LBPRGKRZSA-N 1 1 319.365 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)c1ccccn1)[C@H]1CCNC1=O ZINC001399673407 924715927 /nfs/dbraw/zinc/71/59/27/924715927.db2.gz UWNBYBZEOVNANB-LBPRGKRZSA-N 1 1 319.365 -1.252 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)[C@H]1CCN(C)C1=O ZINC001399713466 924717131 /nfs/dbraw/zinc/71/71/31/924717131.db2.gz OFABAPCSXZUVSF-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnnn1C ZINC001399679150 924717370 /nfs/dbraw/zinc/71/73/70/924717370.db2.gz RTDDBPNGVKCULD-GFCCVEGCSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnnn1C ZINC001399679150 924717379 /nfs/dbraw/zinc/71/73/79/924717379.db2.gz RTDDBPNGVKCULD-GFCCVEGCSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399686520 924718107 /nfs/dbraw/zinc/71/81/07/924718107.db2.gz ICQHNLIEIIXXJW-QWRGUYRKSA-N 1 1 312.370 -1.037 20 0 DAADMO CC[N@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(=O)NC ZINC001399703069 924718279 /nfs/dbraw/zinc/71/82/79/924718279.db2.gz XTIJKUPXBCERMT-UHFFFAOYSA-N 1 1 314.342 -1.232 20 0 DAADMO CC[N@@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(=O)NC ZINC001399703069 924718285 /nfs/dbraw/zinc/71/82/85/924718285.db2.gz XTIJKUPXBCERMT-UHFFFAOYSA-N 1 1 314.342 -1.232 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(=O)NC ZINC001399693586 924718340 /nfs/dbraw/zinc/71/83/40/924718340.db2.gz CCUTXQBOHFVDCX-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(=O)NC ZINC001399693586 924718354 /nfs/dbraw/zinc/71/83/54/924718354.db2.gz CCUTXQBOHFVDCX-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@H+](CCNC(=O)c1[nH]nnc1C)CC(=O)NC(=O)NC ZINC001399732132 924720357 /nfs/dbraw/zinc/72/03/57/924720357.db2.gz DEDNCLSNCAWRNR-UHFFFAOYSA-N 1 1 311.346 -1.380 20 0 DAADMO CC[N@@H+](CCNC(=O)c1[nH]nnc1C)CC(=O)NC(=O)NC ZINC001399732132 924720366 /nfs/dbraw/zinc/72/03/66/924720366.db2.gz DEDNCLSNCAWRNR-UHFFFAOYSA-N 1 1 311.346 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767756 924725210 /nfs/dbraw/zinc/72/52/10/924725210.db2.gz NNCGCFNQAMNJLZ-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767756 924725219 /nfs/dbraw/zinc/72/52/19/924725219.db2.gz NNCGCFNQAMNJLZ-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ncc[nH]1)[C@H](C)C(=O)NC(N)=O ZINC001399785452 924727346 /nfs/dbraw/zinc/72/73/46/924727346.db2.gz JPIPOKAULMBCSD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ncc[nH]1)[C@H](C)C(=O)NC(N)=O ZINC001399785452 924727350 /nfs/dbraw/zinc/72/73/50/924727350.db2.gz JPIPOKAULMBCSD-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399783126 924727745 /nfs/dbraw/zinc/72/77/45/924727745.db2.gz MHPTTZQJUCAOID-VXGBXAGGSA-N 1 1 309.370 -1.572 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399785381 924728438 /nfs/dbraw/zinc/72/84/38/924728438.db2.gz IFNNPOFDKQYKRV-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001399787006 924729395 /nfs/dbraw/zinc/72/93/95/924729395.db2.gz QFWUNFUUAOLABI-LLVKDONJSA-N 1 1 315.370 -1.190 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399795714 924731517 /nfs/dbraw/zinc/73/15/17/924731517.db2.gz JSDWLGFWJGEURX-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001399801337 924732454 /nfs/dbraw/zinc/73/24/54/924732454.db2.gz TXJCKVWFNKVVBF-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399802873 924734231 /nfs/dbraw/zinc/73/42/31/924734231.db2.gz NOGGZLQBNOKLKG-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnsn2)C1 ZINC001399805923 924735384 /nfs/dbraw/zinc/73/53/84/924735384.db2.gz VAHHZSNYBUEOBL-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001399807339 924735405 /nfs/dbraw/zinc/73/54/05/924735405.db2.gz SKHQIHQTWHTJDA-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001399809646 924736412 /nfs/dbraw/zinc/73/64/12/924736412.db2.gz ZUSRUYJHTSOVAI-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@H]1CCCNC1=O ZINC001399814553 924737914 /nfs/dbraw/zinc/73/79/14/924737914.db2.gz DOBGOXWPKHADTH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399814661 924738399 /nfs/dbraw/zinc/73/83/99/924738399.db2.gz VORZBJLYWWWRIG-GHMZBOCLSA-N 1 1 314.386 -1.942 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)Cc1cncn1C ZINC001399826702 924740026 /nfs/dbraw/zinc/74/00/26/924740026.db2.gz YDTITKWYXYVSDG-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)Cc1cncn1C ZINC001399826702 924740030 /nfs/dbraw/zinc/74/00/30/924740030.db2.gz YDTITKWYXYVSDG-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399823841 924740263 /nfs/dbraw/zinc/74/02/63/924740263.db2.gz ABNORMJFSSZVCO-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399827886 924740459 /nfs/dbraw/zinc/74/04/59/924740459.db2.gz LUBKVULKISIDDM-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399842539 924742805 /nfs/dbraw/zinc/74/28/05/924742805.db2.gz DFELQEZALZSXCZ-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844767 924743589 /nfs/dbraw/zinc/74/35/89/924743589.db2.gz SCAMQNFMHLZCPW-UWVGGRQHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844767 924743594 /nfs/dbraw/zinc/74/35/94/924743594.db2.gz SCAMQNFMHLZCPW-UWVGGRQHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001399846556 924744608 /nfs/dbraw/zinc/74/46/08/924744608.db2.gz UVYZUCUGTVIJIB-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001399849202 924744957 /nfs/dbraw/zinc/74/49/57/924744957.db2.gz KEMWWHQHSDNJHV-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001399855245 924746486 /nfs/dbraw/zinc/74/64/86/924746486.db2.gz JNWKJWIZZSWNLF-SECBINFHSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001399855245 924746492 /nfs/dbraw/zinc/74/64/92/924746492.db2.gz JNWKJWIZZSWNLF-SECBINFHSA-N 1 1 324.345 -2.291 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001399857916 924746520 /nfs/dbraw/zinc/74/65/20/924746520.db2.gz RZGPMQVJPZNKRH-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001399854559 924746864 /nfs/dbraw/zinc/74/68/64/924746864.db2.gz OILRKJWVBMXGHX-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399853902 924747291 /nfs/dbraw/zinc/74/72/91/924747291.db2.gz NNBDQCSGLBOXDF-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853100 924747309 /nfs/dbraw/zinc/74/73/09/924747309.db2.gz FPQIGHPDVQSTBY-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853100 924747313 /nfs/dbraw/zinc/74/73/13/924747313.db2.gz FPQIGHPDVQSTBY-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001399852078 924747404 /nfs/dbraw/zinc/74/74/04/924747404.db2.gz MPDGCHOWGQPTIG-JZRPKSSGSA-N 1 1 311.382 -1.576 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC001399861549 924747995 /nfs/dbraw/zinc/74/79/95/924747995.db2.gz CCWWKMCSASSNQJ-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399861684 924748011 /nfs/dbraw/zinc/74/80/11/924748011.db2.gz CKHKMZJBJZKYSH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399861684 924748017 /nfs/dbraw/zinc/74/80/17/924748017.db2.gz CKHKMZJBJZKYSH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC001399864014 924748522 /nfs/dbraw/zinc/74/85/22/924748522.db2.gz MIGAKTKCHCLKRX-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001399867959 924749927 /nfs/dbraw/zinc/74/99/27/924749927.db2.gz UWFFAVLEQNMBID-AXFHLTTASA-N 1 1 314.386 -1.959 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001399890605 924753230 /nfs/dbraw/zinc/75/32/30/924753230.db2.gz HFKYOBLGSOEXOJ-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399887328 924753581 /nfs/dbraw/zinc/75/35/81/924753581.db2.gz VALYNRADBWIPLC-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399892823 924753942 /nfs/dbraw/zinc/75/39/42/924753942.db2.gz YUTXNGZRHUWDSS-MNOVXSKESA-N 1 1 323.353 -1.937 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001399889231 924754560 /nfs/dbraw/zinc/75/45/60/924754560.db2.gz FDUKHNQOGKPDCX-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001399897290 924755065 /nfs/dbraw/zinc/75/50/65/924755065.db2.gz MWOWOHVYTXESLV-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399897213 924755681 /nfs/dbraw/zinc/75/56/81/924755681.db2.gz LGKSMAMSPWXVFN-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399898285 924755811 /nfs/dbraw/zinc/75/58/11/924755811.db2.gz NLXLIQJBMZDNLD-SECBINFHSA-N 1 1 308.342 -1.333 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)Cn1cnnn1 ZINC001399895092 924755917 /nfs/dbraw/zinc/75/59/17/924755917.db2.gz WHFUGFMCSGCQOB-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001399895995 924755973 /nfs/dbraw/zinc/75/59/73/924755973.db2.gz KJEOGXVGFIWXDH-NSHDSACASA-N 1 1 305.346 -1.597 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001399900502 924756081 /nfs/dbraw/zinc/75/60/81/924756081.db2.gz QOSCJPMEELCFPI-LLVKDONJSA-N 1 1 322.431 -1.845 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001399896582 924756105 /nfs/dbraw/zinc/75/61/05/924756105.db2.gz LVHMODUSMHWAHI-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001399897953 924756285 /nfs/dbraw/zinc/75/62/85/924756285.db2.gz SUECSUWWAOJLTK-VIFPVBQESA-N 1 1 309.330 -1.946 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001399897953 924756292 /nfs/dbraw/zinc/75/62/92/924756292.db2.gz SUECSUWWAOJLTK-VIFPVBQESA-N 1 1 309.330 -1.946 20 0 DAADMO CN(CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001399904136 924756360 /nfs/dbraw/zinc/75/63/60/924756360.db2.gz XXYSZSNZVHDTEP-VIFPVBQESA-N 1 1 306.388 -2.199 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001399893875 924756841 /nfs/dbraw/zinc/75/68/41/924756841.db2.gz GAUBCBRWJAUYGA-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001399893875 924756848 /nfs/dbraw/zinc/75/68/48/924756848.db2.gz GAUBCBRWJAUYGA-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001399927807 924757601 /nfs/dbraw/zinc/75/76/01/924757601.db2.gz KZJLZIKSQLAOBJ-LLVKDONJSA-N 1 1 312.370 -1.251 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001399929413 924759064 /nfs/dbraw/zinc/75/90/64/924759064.db2.gz KSYVEJOEMRHHNR-WDEREUQCSA-N 1 1 307.416 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NCC1CC1 ZINC001399932040 924759265 /nfs/dbraw/zinc/75/92/65/924759265.db2.gz QIDGGBFSTFBGSC-NWDGAFQWSA-N 1 1 323.397 -1.368 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001399929172 924759493 /nfs/dbraw/zinc/75/94/93/924759493.db2.gz ZNVDTCBEMRQJKJ-RNCFNFMXSA-N 1 1 316.333 -1.252 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001399948338 924759842 /nfs/dbraw/zinc/75/98/42/924759842.db2.gz RZAKMRKMSIQMTN-GFCCVEGCSA-N 1 1 311.386 -1.289 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001399929380 924759861 /nfs/dbraw/zinc/75/98/61/924759861.db2.gz KSYVEJOEMRHHNR-GHMZBOCLSA-N 1 1 307.416 -1.126 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001399931199 924760257 /nfs/dbraw/zinc/76/02/57/924760257.db2.gz PNHMUAMUOHYRBK-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO CCC[N@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001399977302 924761613 /nfs/dbraw/zinc/76/16/13/924761613.db2.gz SLSDAOAHSPKFTO-JTQLQIEISA-N 1 1 321.399 -2.280 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001399977302 924761619 /nfs/dbraw/zinc/76/16/19/924761619.db2.gz SLSDAOAHSPKFTO-JTQLQIEISA-N 1 1 321.399 -2.280 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399968311 924761652 /nfs/dbraw/zinc/76/16/52/924761652.db2.gz DDONRCOWABDIDL-LLVKDONJSA-N 1 1 309.374 -1.175 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)Cc1cnnn1C ZINC001399968311 924761656 /nfs/dbraw/zinc/76/16/56/924761656.db2.gz DDONRCOWABDIDL-LLVKDONJSA-N 1 1 309.374 -1.175 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)CC(=O)NC ZINC001399979525 924762014 /nfs/dbraw/zinc/76/20/14/924762014.db2.gz POSMWIBNDOHJRA-UHFFFAOYSA-N 1 1 311.386 -1.088 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)CC(=O)NC ZINC001399979525 924762016 /nfs/dbraw/zinc/76/20/16/924762016.db2.gz POSMWIBNDOHJRA-UHFFFAOYSA-N 1 1 311.386 -1.088 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001399999672 924763055 /nfs/dbraw/zinc/76/30/55/924763055.db2.gz UGSNXUOVVSISMG-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001399999672 924763063 /nfs/dbraw/zinc/76/30/63/924763063.db2.gz UGSNXUOVVSISMG-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001399984778 924763616 /nfs/dbraw/zinc/76/36/16/924763616.db2.gz AMNBVHHFBUGSHY-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1 ZINC001399984778 924763622 /nfs/dbraw/zinc/76/36/22/924763622.db2.gz AMNBVHHFBUGSHY-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)CN1CCCNC1=O)C1CC1 ZINC001399996228 924763968 /nfs/dbraw/zinc/76/39/68/924763968.db2.gz AXNJYPYHJKYFRC-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)CN1CCCNC1=O)C1CC1 ZINC001399996228 924763977 /nfs/dbraw/zinc/76/39/77/924763977.db2.gz AXNJYPYHJKYFRC-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001400030968 924764726 /nfs/dbraw/zinc/76/47/26/924764726.db2.gz RBNDXPIGHWBYIS-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001400030968 924764736 /nfs/dbraw/zinc/76/47/36/924764736.db2.gz RBNDXPIGHWBYIS-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)CC2 ZINC001400023831 924765059 /nfs/dbraw/zinc/76/50/59/924765059.db2.gz PKWUPMWVNTTYPA-SNVBAGLBSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)CC2 ZINC001400023831 924765067 /nfs/dbraw/zinc/76/50/67/924765067.db2.gz PKWUPMWVNTTYPA-SNVBAGLBSA-N 1 1 320.397 -1.014 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)CCO1)c1nnnn1C ZINC001400063657 924768631 /nfs/dbraw/zinc/76/86/31/924768631.db2.gz WXLUJSPBGUTCLO-GHMZBOCLSA-N 1 1 311.390 -1.350 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CCNC1=O)c1nnnn1C ZINC001400061586 924769970 /nfs/dbraw/zinc/76/99/70/924769970.db2.gz VPESYRPRMPKXBT-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001400154227 924773410 /nfs/dbraw/zinc/77/34/10/924773410.db2.gz VRZYNFFINHXHTD-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1cnnn1 ZINC001400126900 924773579 /nfs/dbraw/zinc/77/35/79/924773579.db2.gz RIXSYKDMULSNQM-HBNTYKKESA-N 1 1 309.374 -1.366 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001400136454 924774300 /nfs/dbraw/zinc/77/43/00/924774300.db2.gz GIARVHOAHNLXQQ-LLVKDONJSA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001400127275 924774527 /nfs/dbraw/zinc/77/45/27/924774527.db2.gz XHHRYCYPXPCSFQ-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400185825 924776430 /nfs/dbraw/zinc/77/64/30/924776430.db2.gz HRZQSUYONCJCGN-NSHDSACASA-N 1 1 324.385 -1.355 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001400202604 924777482 /nfs/dbraw/zinc/77/74/82/924777482.db2.gz DOXBKVGGQOZPHM-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)Cn1ncnn1 ZINC001400211714 924778644 /nfs/dbraw/zinc/77/86/44/924778644.db2.gz JIQJVNWFLFDZBN-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001400226585 924779173 /nfs/dbraw/zinc/77/91/73/924779173.db2.gz CAZSLZAYZFVRIW-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)Cn1ncnn1 ZINC001400211711 924779302 /nfs/dbraw/zinc/77/93/02/924779302.db2.gz JIQJVNWFLFDZBN-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001400228666 924780151 /nfs/dbraw/zinc/78/01/51/924780151.db2.gz JEZPSKDMTWTKMV-SECBINFHSA-N 1 1 323.353 -1.635 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001400235181 924780465 /nfs/dbraw/zinc/78/04/65/924780465.db2.gz IWACKAAJKFZOLB-SNVBAGLBSA-N 1 1 309.374 -1.308 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCNC(N)=O)CC1 ZINC001400243852 924780538 /nfs/dbraw/zinc/78/05/38/924780538.db2.gz CVQYWAYIKZGENO-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCCO)C1 ZINC001400237304 924780606 /nfs/dbraw/zinc/78/06/06/924780606.db2.gz WOUHCFWGNNJDDA-LLVKDONJSA-N 1 1 322.431 -1.797 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](C)O)C1 ZINC001400238520 924781582 /nfs/dbraw/zinc/78/15/82/924781582.db2.gz YGSKFCZQVPSELF-GHMZBOCLSA-N 1 1 322.431 -1.799 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001400245017 924781692 /nfs/dbraw/zinc/78/16/92/924781692.db2.gz KNZXJCOAUMZROD-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001400235178 924782124 /nfs/dbraw/zinc/78/21/24/924782124.db2.gz IWACKAAJKFZOLB-JTQLQIEISA-N 1 1 309.374 -1.308 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001400256651 924783593 /nfs/dbraw/zinc/78/35/93/924783593.db2.gz IBJFWHPVSLBBGY-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001400256651 924783601 /nfs/dbraw/zinc/78/36/01/924783601.db2.gz IBJFWHPVSLBBGY-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400294880 924786032 /nfs/dbraw/zinc/78/60/32/924786032.db2.gz AKXBZTQGXQLGTA-HBNTYKKESA-N 1 1 300.359 -1.744 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400294855 924787046 /nfs/dbraw/zinc/78/70/46/924787046.db2.gz AKXBZTQGXQLGTA-AXFHLTTASA-N 1 1 300.359 -1.744 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001400305528 924787164 /nfs/dbraw/zinc/78/71/64/924787164.db2.gz NGLLYVCOKZLXJU-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001400305528 924787167 /nfs/dbraw/zinc/78/71/67/924787167.db2.gz NGLLYVCOKZLXJU-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001400378323 924792902 /nfs/dbraw/zinc/79/29/02/924792902.db2.gz KNCFEABFJACGJA-UHFFFAOYSA-N 1 1 315.399 -1.459 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1(NC(N)=O)CC1 ZINC001400418907 924796929 /nfs/dbraw/zinc/79/69/29/924796929.db2.gz GKKGOKNZWQUEII-QWRGUYRKSA-N 1 1 323.397 -1.001 20 0 DAADMO Cn1nncc1CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001400409143 924797500 /nfs/dbraw/zinc/79/75/00/924797500.db2.gz KFVJYKAFXUAPTN-UHFFFAOYSA-N 1 1 308.386 -1.162 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001400443827 924799784 /nfs/dbraw/zinc/79/97/84/924799784.db2.gz MAPCJPALJRBQMR-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)c1nnn(C)n1 ZINC001400450247 924800035 /nfs/dbraw/zinc/80/00/35/924800035.db2.gz KVYZANINJKPYMR-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001400466025 924802097 /nfs/dbraw/zinc/80/20/97/924802097.db2.gz GPRBQIROSLEKHG-JTQLQIEISA-N 1 1 320.415 -1.762 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001400567459 924812221 /nfs/dbraw/zinc/81/22/21/924812221.db2.gz KMEBWZUKFLXODN-VOAKCMCISA-N 1 1 311.382 -1.243 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCOCC1 ZINC001400570959 924814710 /nfs/dbraw/zinc/81/47/10/924814710.db2.gz GGTSNGKYQCVBOP-IHRRRGAJSA-N 1 1 313.398 -1.389 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCNC1=O ZINC001400584050 924815540 /nfs/dbraw/zinc/81/55/40/924815540.db2.gz ROQZRHCJEHIINC-MROQNXINSA-N 1 1 311.382 -1.195 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001400583496 924817061 /nfs/dbraw/zinc/81/70/61/924817061.db2.gz ARUWBXDZTBCDJH-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001400610652 924818131 /nfs/dbraw/zinc/81/81/31/924818131.db2.gz HIHIGJSVIPHUKQ-KOLCDFICSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001400610652 924818139 /nfs/dbraw/zinc/81/81/39/924818139.db2.gz HIHIGJSVIPHUKQ-KOLCDFICSA-N 1 1 322.369 -1.264 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400630092 924818705 /nfs/dbraw/zinc/81/87/05/924818705.db2.gz KGQBHTPQMOAYTR-FIQHERPVSA-N 1 1 315.370 -1.783 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400622364 924818865 /nfs/dbraw/zinc/81/88/65/924818865.db2.gz XHTITVIXGNTYDC-IUCAKERBSA-N 1 1 321.403 -2.635 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400622364 924818875 /nfs/dbraw/zinc/81/88/75/924818875.db2.gz XHTITVIXGNTYDC-IUCAKERBSA-N 1 1 321.403 -2.635 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001400654328 924821822 /nfs/dbraw/zinc/82/18/22/924821822.db2.gz RLHNLQSVCUDTFX-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001400654328 924821826 /nfs/dbraw/zinc/82/18/26/924821826.db2.gz RLHNLQSVCUDTFX-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001400653064 924822596 /nfs/dbraw/zinc/82/25/96/924822596.db2.gz IXKAQYJEMOTGQN-VHSXEESVSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001400653064 924822603 /nfs/dbraw/zinc/82/26/03/924822603.db2.gz IXKAQYJEMOTGQN-VHSXEESVSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400657903 924822878 /nfs/dbraw/zinc/82/28/78/924822878.db2.gz ZJWCYHWMUOTZBC-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400657903 924822886 /nfs/dbraw/zinc/82/28/86/924822886.db2.gz ZJWCYHWMUOTZBC-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001400671310 924823603 /nfs/dbraw/zinc/82/36/03/924823603.db2.gz RMTDFILIZLSWIA-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400693877 924823995 /nfs/dbraw/zinc/82/39/95/924823995.db2.gz IZPFAXYMRCEOJH-ONGXEEELSA-N 1 1 324.385 -1.334 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400696054 924824053 /nfs/dbraw/zinc/82/40/53/924824053.db2.gz GQNNKRNWHNRZJB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400696054 924824059 /nfs/dbraw/zinc/82/40/59/924824059.db2.gz GQNNKRNWHNRZJB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001400688599 924824318 /nfs/dbraw/zinc/82/43/18/924824318.db2.gz VFRALNPKEVCMDR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001400688599 924824323 /nfs/dbraw/zinc/82/43/23/924824323.db2.gz VFRALNPKEVCMDR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001400671304 924824398 /nfs/dbraw/zinc/82/43/98/924824398.db2.gz RMTDFILIZLSWIA-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001400709096 924826769 /nfs/dbraw/zinc/82/67/69/924826769.db2.gz KPFIESIYJVXACI-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001400709096 924826775 /nfs/dbraw/zinc/82/67/75/924826775.db2.gz KPFIESIYJVXACI-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001400710886 924827083 /nfs/dbraw/zinc/82/70/83/924827083.db2.gz MNKSTZLRBKBTBC-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001400710886 924827090 /nfs/dbraw/zinc/82/70/90/924827090.db2.gz MNKSTZLRBKBTBC-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400752240 924830106 /nfs/dbraw/zinc/83/01/06/924830106.db2.gz AJBRHVPGYPQWHB-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400782117 924831577 /nfs/dbraw/zinc/83/15/77/924831577.db2.gz YRPPCRLWUQTUBE-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400782117 924831586 /nfs/dbraw/zinc/83/15/86/924831586.db2.gz YRPPCRLWUQTUBE-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001400779871 924831784 /nfs/dbraw/zinc/83/17/84/924831784.db2.gz VFFJRQBXNRVXAU-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CC[C@@H](CNC(=O)CNC(=O)NC)[NH2+][C@H](C)c1nnnn1C ZINC001400806538 924832074 /nfs/dbraw/zinc/83/20/74/924832074.db2.gz UJPGMPXZNXTMSG-BDAKNGLRSA-N 1 1 312.378 -1.316 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001400783905 924832408 /nfs/dbraw/zinc/83/24/08/924832408.db2.gz QSXOSRCXQRZCBB-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001400816970 924833320 /nfs/dbraw/zinc/83/33/20/924833320.db2.gz BKUVEVNEJNSFGR-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001400835527 924834008 /nfs/dbraw/zinc/83/40/08/924834008.db2.gz UJIMIESKFJKCLW-RKDXNWHRSA-N 1 1 310.362 -1.782 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001400870748 924834050 /nfs/dbraw/zinc/83/40/50/924834050.db2.gz YPZWWLYICSCDSB-MRVPVSSYSA-N 1 1 308.346 -1.053 20 0 DAADMO CC[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001400862629 924834749 /nfs/dbraw/zinc/83/47/49/924834749.db2.gz IBHMEOCVVYVJNJ-SECBINFHSA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001400862629 924834757 /nfs/dbraw/zinc/83/47/57/924834757.db2.gz IBHMEOCVVYVJNJ-SECBINFHSA-N 1 1 323.357 -2.139 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnon1 ZINC001400819026 924834817 /nfs/dbraw/zinc/83/48/17/924834817.db2.gz KJHFYAQZNOPWPH-NSHDSACASA-N 1 1 324.385 -1.172 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001400876022 924836689 /nfs/dbraw/zinc/83/66/89/924836689.db2.gz YNOJGMKJWKPNJR-APPZFPTMSA-N 1 1 310.314 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001400999995 924838337 /nfs/dbraw/zinc/83/83/37/924838337.db2.gz ADSIBPCZHSZQLI-NOZJJQNGSA-N 1 1 322.373 -1.734 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnn(C)n2)CC1 ZINC001401035306 924838595 /nfs/dbraw/zinc/83/85/95/924838595.db2.gz CPFMJOPXQTXITR-GUBZILKMSA-N 1 1 324.389 -1.216 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1nnn(C)n1 ZINC001401113509 924842962 /nfs/dbraw/zinc/84/29/62/924842962.db2.gz BBYSXSHRWZCODE-QMMMGPOBSA-N 1 1 306.330 -1.139 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156488 924845319 /nfs/dbraw/zinc/84/53/19/924845319.db2.gz BBWRIGGORFKATQ-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156488 924845326 /nfs/dbraw/zinc/84/53/26/924845326.db2.gz BBWRIGGORFKATQ-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001401162251 924848318 /nfs/dbraw/zinc/84/83/18/924848318.db2.gz NBUVIJMDTBKHLV-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001401162251 924848326 /nfs/dbraw/zinc/84/83/26/924848326.db2.gz NBUVIJMDTBKHLV-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173235 924849330 /nfs/dbraw/zinc/84/93/30/924849330.db2.gz XCIPDXHSRBUSHO-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173235 924849334 /nfs/dbraw/zinc/84/93/34/924849334.db2.gz XCIPDXHSRBUSHO-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173242 924850139 /nfs/dbraw/zinc/85/01/39/924850139.db2.gz XCIPDXHSRBUSHO-STQMWFEESA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173242 924850144 /nfs/dbraw/zinc/85/01/44/924850144.db2.gz XCIPDXHSRBUSHO-STQMWFEESA-N 1 1 324.381 -1.169 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001401236903 924851809 /nfs/dbraw/zinc/85/18/09/924851809.db2.gz HDELXAQFNGMJFA-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001401244396 924853314 /nfs/dbraw/zinc/85/33/14/924853314.db2.gz WPBPUZKTEATCEX-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnnn1C ZINC001401317474 924855404 /nfs/dbraw/zinc/85/54/04/924855404.db2.gz IXAPIWWSFYSORS-IUCAKERBSA-N 1 1 311.346 -1.451 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1COC(=O)N1)[NH2+]Cc1nnnn1C ZINC001401317472 924856398 /nfs/dbraw/zinc/85/63/98/924856398.db2.gz IXAPIWWSFYSORS-DTWKUNHWSA-N 1 1 311.346 -1.451 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CC1(O)CCC1 ZINC001401372716 924857958 /nfs/dbraw/zinc/85/79/58/924857958.db2.gz YEBGZSDYWJXFTQ-UHFFFAOYSA-N 1 1 300.359 -1.123 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC1(O)CCC1 ZINC001401372716 924857966 /nfs/dbraw/zinc/85/79/66/924857966.db2.gz YEBGZSDYWJXFTQ-UHFFFAOYSA-N 1 1 300.359 -1.123 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001401389724 924858159 /nfs/dbraw/zinc/85/81/59/924858159.db2.gz NGGKINBWEFNPFX-ZETCQYMHSA-N 1 1 312.334 -2.203 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001401389724 924858166 /nfs/dbraw/zinc/85/81/66/924858166.db2.gz NGGKINBWEFNPFX-ZETCQYMHSA-N 1 1 312.334 -2.203 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN1CCCC1=O ZINC001401371321 924858342 /nfs/dbraw/zinc/85/83/42/924858342.db2.gz LJRRQZOVGHPQSG-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001401366185 924858663 /nfs/dbraw/zinc/85/86/63/924858663.db2.gz BNRUZJBDWHVFDH-MRVPVSSYSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001401366185 924858671 /nfs/dbraw/zinc/85/86/71/924858671.db2.gz BNRUZJBDWHVFDH-MRVPVSSYSA-N 1 1 311.346 -1.598 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401439238 924860051 /nfs/dbraw/zinc/86/00/51/924860051.db2.gz OJQLEIHSVRLSHF-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401439238 924860060 /nfs/dbraw/zinc/86/00/60/924860060.db2.gz OJQLEIHSVRLSHF-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CCn1cncn1 ZINC001401434937 924860463 /nfs/dbraw/zinc/86/04/63/924860463.db2.gz DWPVTXROMDWNIO-UHFFFAOYSA-N 1 1 318.403 -1.783 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001401419703 924860590 /nfs/dbraw/zinc/86/05/90/924860590.db2.gz FLVIKMZADRHXFL-HZMBPMFUSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001401419703 924860596 /nfs/dbraw/zinc/86/05/96/924860596.db2.gz FLVIKMZADRHXFL-HZMBPMFUSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001401432045 924860665 /nfs/dbraw/zinc/86/06/65/924860665.db2.gz QYADDGAPSCRNLB-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001401419711 924860710 /nfs/dbraw/zinc/86/07/10/924860710.db2.gz FLVIKMZADRHXFL-QMTHXVAHSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001401419711 924860719 /nfs/dbraw/zinc/86/07/19/924860719.db2.gz FLVIKMZADRHXFL-QMTHXVAHSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001401431076 924860738 /nfs/dbraw/zinc/86/07/38/924860738.db2.gz LYSBJNIAQUUWKZ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001401431076 924860744 /nfs/dbraw/zinc/86/07/44/924860744.db2.gz LYSBJNIAQUUWKZ-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401439223 924861047 /nfs/dbraw/zinc/86/10/47/924861047.db2.gz OJQLEIHSVRLSHF-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401439223 924861051 /nfs/dbraw/zinc/86/10/51/924861051.db2.gz OJQLEIHSVRLSHF-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001401454782 924861214 /nfs/dbraw/zinc/86/12/14/924861214.db2.gz XXXGJRSQXWSTGC-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001401454782 924861221 /nfs/dbraw/zinc/86/12/21/924861221.db2.gz XXXGJRSQXWSTGC-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cn[nH]c1 ZINC001401492301 924864034 /nfs/dbraw/zinc/86/40/34/924864034.db2.gz PZDXPGRKCZVADE-SNVBAGLBSA-N 1 1 321.341 -1.588 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)C(F)F ZINC001401492353 924864453 /nfs/dbraw/zinc/86/44/53/924864453.db2.gz PPWSCCBMHUHBTA-ZETCQYMHSA-N 1 1 305.285 -1.360 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1)c1nncn1C ZINC001401491418 924864648 /nfs/dbraw/zinc/86/46/48/924864648.db2.gz NKEUCEYYAGQRBC-GHMZBOCLSA-N 1 1 322.373 -1.375 20 0 DAADMO CC[N@H+]1CC[C@H]2CN(C(=O)CNS(=O)(=O)NC)CC[C@H]21 ZINC001401493258 924864743 /nfs/dbraw/zinc/86/47/43/924864743.db2.gz NZGDCOHTVRCBFT-WDEREUQCSA-N 1 1 304.416 -1.017 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001401489885 924865333 /nfs/dbraw/zinc/86/53/33/924865333.db2.gz PBMSHHAPEWVXSE-LLVKDONJSA-N 1 1 310.358 -1.996 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CC2OCCCO2)nn1 ZINC001401491603 924865656 /nfs/dbraw/zinc/86/56/56/924865656.db2.gz NWJZKEFRIBPLMP-NSHDSACASA-N 1 1 313.358 -1.465 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001401495669 924866456 /nfs/dbraw/zinc/86/64/56/924866456.db2.gz QRUKNXBYWGQWHB-QMMMGPOBSA-N 1 1 305.360 -2.276 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001401496876 924867074 /nfs/dbraw/zinc/86/70/74/924867074.db2.gz VWAFWWPPQYZYJY-SNVBAGLBSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)no1 ZINC001401496669 924867275 /nfs/dbraw/zinc/86/72/75/924867275.db2.gz AFIDIJJDQPXCIA-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cccnc1)c1nnnn1C ZINC001401500742 924869245 /nfs/dbraw/zinc/86/92/45/924869245.db2.gz AUZHZXVCAYSUCJ-CMPLNLGQSA-N 1 1 319.369 -1.025 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401501098 924869617 /nfs/dbraw/zinc/86/96/17/924869617.db2.gz YYKAGLKQQBPQPP-APPZFPTMSA-N 1 1 301.372 -1.371 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001401506506 924870875 /nfs/dbraw/zinc/87/08/75/924870875.db2.gz VDFAWSYBJLOLBU-LBPRGKRZSA-N 1 1 309.370 -1.625 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001401505863 924871077 /nfs/dbraw/zinc/87/10/77/924871077.db2.gz KMUSABRVNAGXMQ-VIFPVBQESA-N 1 1 317.371 -2.276 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001401502349 924871118 /nfs/dbraw/zinc/87/11/18/924871118.db2.gz GHIFIEXNFXIGMO-GHMZBOCLSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001401502384 924871189 /nfs/dbraw/zinc/87/11/89/924871189.db2.gz GHIFIEXNFXIGMO-WDEREUQCSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001401507806 924871320 /nfs/dbraw/zinc/87/13/20/924871320.db2.gz OLJCGQDZZUWKDS-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001401502374 924871660 /nfs/dbraw/zinc/87/16/60/924871660.db2.gz GHIFIEXNFXIGMO-MNOVXSKESA-N 1 1 312.374 -2.288 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)C1CS(=O)(=O)C1 ZINC001401508613 924873613 /nfs/dbraw/zinc/87/36/13/924873613.db2.gz MIFHBKNWYFNPSJ-JTQLQIEISA-N 1 1 303.340 -1.714 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001401513583 924873937 /nfs/dbraw/zinc/87/39/37/924873937.db2.gz ZJWVARMEKGGMRB-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001401513478 924873970 /nfs/dbraw/zinc/87/39/70/924873970.db2.gz MOGARNHDDVWSLT-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001401514083 924873989 /nfs/dbraw/zinc/87/39/89/924873989.db2.gz NPSVTMWLUKUPHZ-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001401525949 924874862 /nfs/dbraw/zinc/87/48/62/924874862.db2.gz XYFONOBBLWGWAH-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001401519431 924874985 /nfs/dbraw/zinc/87/49/85/924874985.db2.gz ZRCOFUAIWFFPKJ-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)s1 ZINC001401517634 924875396 /nfs/dbraw/zinc/87/53/96/924875396.db2.gz YXGFAOVMMSJIRQ-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1cccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001401516285 924875458 /nfs/dbraw/zinc/87/54/58/924875458.db2.gz YPSUDCIZMKGIND-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)n1 ZINC001401518867 924875885 /nfs/dbraw/zinc/87/58/85/924875885.db2.gz YGMJGUICVNXICG-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO O=C(CCn1ccccc1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001401535942 924876661 /nfs/dbraw/zinc/87/66/61/924876661.db2.gz FRSVTPHSCAEPCP-GFCCVEGCSA-N 1 1 321.337 -1.112 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001401534548 924877022 /nfs/dbraw/zinc/87/70/22/924877022.db2.gz BTMJBDDDKZPFQE-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O ZINC001401535011 924877736 /nfs/dbraw/zinc/87/77/36/924877736.db2.gz GBRHIGLEBBJOLV-VIFPVBQESA-N 1 1 319.387 -2.184 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)S(C)(=O)=O ZINC001401536717 924878013 /nfs/dbraw/zinc/87/80/13/924878013.db2.gz JOMFSBFKBZYCOA-SCZZXKLOSA-N 1 1 305.356 -1.326 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001401534536 924878121 /nfs/dbraw/zinc/87/81/21/924878121.db2.gz BTMJBDDDKZPFQE-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)[nH]c1=O ZINC001401540317 924879187 /nfs/dbraw/zinc/87/91/87/924879187.db2.gz DZUUBXOTCBEBQS-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001401541216 924879357 /nfs/dbraw/zinc/87/93/57/924879357.db2.gz GDHRCNSYYOZPIW-UFBFGSQYSA-N 1 1 311.346 -2.555 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)ccc2=O)[nH]1 ZINC001401539670 924879717 /nfs/dbraw/zinc/87/97/17/924879717.db2.gz ABPXPGLUJQSPRA-SNVBAGLBSA-N 1 1 320.353 -1.308 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001401543075 924880260 /nfs/dbraw/zinc/88/02/60/924880260.db2.gz OWUWKVSJPDXJBB-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001401543593 924880357 /nfs/dbraw/zinc/88/03/57/924880357.db2.gz QOMYCKVBBGQZHW-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1)c1nnnn1C ZINC001401545247 924882630 /nfs/dbraw/zinc/88/26/30/924882630.db2.gz CRFAFLZHXRRJND-GHMZBOCLSA-N 1 1 322.373 -1.375 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001401548845 924883956 /nfs/dbraw/zinc/88/39/56/924883956.db2.gz WNQSLYZXZPHYKN-VIFPVBQESA-N 1 1 308.298 -1.956 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001401549208 924883972 /nfs/dbraw/zinc/88/39/72/924883972.db2.gz XQJIRDDCKRYMPB-NEPJUHHUSA-N 1 1 321.381 -1.088 20 0 DAADMO COc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)co1 ZINC001401550780 924884306 /nfs/dbraw/zinc/88/43/06/924884306.db2.gz QDDVMYIRAAQZKW-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)nn1 ZINC001401548277 924884519 /nfs/dbraw/zinc/88/45/19/924884519.db2.gz XPWDXZZECNXVTM-BXUZGUMPSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnns1)S(C)(=O)=O ZINC001401549187 924885029 /nfs/dbraw/zinc/88/50/29/924885029.db2.gz XPNNZTZYGIMPGC-HTQZYQBOSA-N 1 1 322.412 -1.462 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001401553069 924886596 /nfs/dbraw/zinc/88/65/96/924886596.db2.gz OTUXOYWMPDDVFA-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001401552767 924886763 /nfs/dbraw/zinc/88/67/63/924886763.db2.gz CXOHZVIYTJYKGS-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2nnnn2C)C1 ZINC001401555589 924887529 /nfs/dbraw/zinc/88/75/29/924887529.db2.gz LSZIZESTPQCBIY-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)o1 ZINC001401556763 924888119 /nfs/dbraw/zinc/88/81/19/924888119.db2.gz QQCJJVJOGGMNCU-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001401559943 924890255 /nfs/dbraw/zinc/89/02/55/924890255.db2.gz HFFNOXJWLBCTRJ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)s1 ZINC001401561079 924890513 /nfs/dbraw/zinc/89/05/13/924890513.db2.gz JBNSLWIRECFIBP-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001401561002 924891028 /nfs/dbraw/zinc/89/10/28/924891028.db2.gz UYKUSIGAMAZTOW-ONGXEEELSA-N 1 1 311.342 -1.447 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1cc2n(n1)CCO2 ZINC001401560489 924891175 /nfs/dbraw/zinc/89/11/75/924891175.db2.gz UNRXQMCUTPKACY-JTQLQIEISA-N 1 1 318.337 -1.054 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)o1 ZINC001401560538 924891471 /nfs/dbraw/zinc/89/14/71/924891471.db2.gz UPDILWXSEDVIAJ-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1cnnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401563190 924892343 /nfs/dbraw/zinc/89/23/43/924892343.db2.gz SLEZUFGIIKQYRD-RYUDHWBXSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)c[nH]1 ZINC001401564632 924892382 /nfs/dbraw/zinc/89/23/82/924892382.db2.gz LRGMRCABUMRMRP-JTQLQIEISA-N 1 1 307.310 -1.053 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001401563878 924892513 /nfs/dbraw/zinc/89/25/13/924892513.db2.gz OYXYKUUECUKUKC-OLZOCXBDSA-N 1 1 323.397 -1.236 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001401563875 924892894 /nfs/dbraw/zinc/89/28/94/924892894.db2.gz OYXYKUUECUKUKC-CHWSQXEVSA-N 1 1 323.397 -1.236 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001401564824 924893147 /nfs/dbraw/zinc/89/31/47/924893147.db2.gz BUPWFIZMBSTILD-JTQLQIEISA-N 1 1 307.358 -1.170 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001401568965 924894404 /nfs/dbraw/zinc/89/44/04/924894404.db2.gz YNNHJWCZUSQBDU-VHSXEESVSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)oc1C ZINC001401566943 924894773 /nfs/dbraw/zinc/89/47/73/924894773.db2.gz XXZQWTFXSDPQSF-ZJUUUORDSA-N 1 1 311.342 -1.460 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)c1[nH]nc2c1CCCC2 ZINC001401566785 924894951 /nfs/dbraw/zinc/89/49/51/924894951.db2.gz QDQUYNJHYOQCCJ-CABZTGNLSA-N 1 1 321.381 -1.143 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001401568949 924895082 /nfs/dbraw/zinc/89/50/82/924895082.db2.gz HBDOFPARRWDCCY-NSHDSACASA-N 1 1 322.325 -1.717 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2cncn2C)[nH]1 ZINC001401570231 924896601 /nfs/dbraw/zinc/89/66/01/924896601.db2.gz BGBBLOJMOVXENU-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001401577397 924898143 /nfs/dbraw/zinc/89/81/43/924898143.db2.gz ZYDRQBMWAFANML-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001401577389 924898321 /nfs/dbraw/zinc/89/83/21/924898321.db2.gz ZYDRQBMWAFANML-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCN2CCCC2=O)nn1 ZINC001401576156 924898467 /nfs/dbraw/zinc/89/84/67/924898467.db2.gz VUECTUYMRFTKNO-LBPRGKRZSA-N 1 1 324.385 -1.606 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)n1 ZINC001401581603 924900866 /nfs/dbraw/zinc/90/08/66/924900866.db2.gz QJLMHVGJRSYXBP-SNVBAGLBSA-N 1 1 309.330 -1.130 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001401582698 924901907 /nfs/dbraw/zinc/90/19/07/924901907.db2.gz IDXAVWQTCIRWSQ-VIFPVBQESA-N 1 1 319.387 -2.184 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001401580479 924901932 /nfs/dbraw/zinc/90/19/32/924901932.db2.gz DSQQORAXWDZHRB-ZDUSSCGKSA-N 1 1 321.385 -1.023 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001401583520 924902087 /nfs/dbraw/zinc/90/20/87/924902087.db2.gz ZTKKWOCHWHJPEA-SECBINFHSA-N 1 1 311.371 -1.213 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401596913 924902731 /nfs/dbraw/zinc/90/27/31/924902731.db2.gz FEMOZUFMYMIVIQ-BDAKNGLRSA-N 1 1 310.362 -1.609 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)C[NH2+]CC(=O)N2CCOCC2)n[nH]1 ZINC001401622538 924908592 /nfs/dbraw/zinc/90/85/92/924908592.db2.gz GVQNCZBLCYREQN-SNVBAGLBSA-N 1 1 324.385 -1.391 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001401644094 924909336 /nfs/dbraw/zinc/90/93/36/924909336.db2.gz IPIXENBBDCAPKE-SCZZXKLOSA-N 1 1 323.357 -1.510 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001401642597 924909382 /nfs/dbraw/zinc/90/93/82/924909382.db2.gz PRCAFCMHRDJATQ-SSDOTTSWSA-N 1 1 320.375 -1.974 20 0 DAADMO Cc1conc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001401640895 924910076 /nfs/dbraw/zinc/91/00/76/924910076.db2.gz VFCDBEPWLIUDTE-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001401676554 924912513 /nfs/dbraw/zinc/91/25/13/924912513.db2.gz ZYTSFFONZHWLAA-NXEZZACHSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCn1ncn(C)c1=O ZINC001401692456 924914288 /nfs/dbraw/zinc/91/42/88/924914288.db2.gz PBCRAFCJQHAUPT-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ccon1 ZINC001401691696 924914300 /nfs/dbraw/zinc/91/43/00/924914300.db2.gz GPHGAPJHQYFBER-VIFPVBQESA-N 1 1 311.342 -1.479 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cc1nnc[nH]1 ZINC001401716339 924916110 /nfs/dbraw/zinc/91/61/10/924916110.db2.gz BQUFOFYGXLKFJN-VIFPVBQESA-N 1 1 318.341 -1.130 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401701435 924916501 /nfs/dbraw/zinc/91/65/01/924916501.db2.gz LKDPCSFHHVORKV-IUCAKERBSA-N 1 1 324.389 -1.296 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001401714586 924916547 /nfs/dbraw/zinc/91/65/47/924916547.db2.gz UWAJHMXIRNWSSO-VXNVDRBHSA-N 1 1 316.387 -1.601 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001401752949 924918028 /nfs/dbraw/zinc/91/80/28/924918028.db2.gz PJGYVPROGUIBRN-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001401752949 924918034 /nfs/dbraw/zinc/91/80/34/924918034.db2.gz PJGYVPROGUIBRN-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO Cc1c(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001401726790 924918280 /nfs/dbraw/zinc/91/82/80/924918280.db2.gz IEYUCDXSOKHDDB-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001401726790 924918283 /nfs/dbraw/zinc/91/82/83/924918283.db2.gz IEYUCDXSOKHDDB-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001401730412 924918417 /nfs/dbraw/zinc/91/84/17/924918417.db2.gz VFSWIRAIHXYXFP-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001401730412 924918424 /nfs/dbraw/zinc/91/84/24/924918424.db2.gz VFSWIRAIHXYXFP-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001401742738 924918469 /nfs/dbraw/zinc/91/84/69/924918469.db2.gz UVCJUQQOWZDDNL-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001401742738 924918472 /nfs/dbraw/zinc/91/84/72/924918472.db2.gz UVCJUQQOWZDDNL-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(C)C ZINC001401754360 924918809 /nfs/dbraw/zinc/91/88/09/924918809.db2.gz JGTXLOHCQZCSII-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(C)C ZINC001401754360 924918816 /nfs/dbraw/zinc/91/88/16/924918816.db2.gz JGTXLOHCQZCSII-JTQLQIEISA-N 1 1 301.391 -1.124 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748222 924919259 /nfs/dbraw/zinc/91/92/59/924919259.db2.gz DIDCDHDZJBVIFS-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748222 924919269 /nfs/dbraw/zinc/91/92/69/924919269.db2.gz DIDCDHDZJBVIFS-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001401749281 924919341 /nfs/dbraw/zinc/91/93/41/924919341.db2.gz YEZNRDFIYXOJJL-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001401749281 924919348 /nfs/dbraw/zinc/91/93/48/924919348.db2.gz YEZNRDFIYXOJJL-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748216 924919428 /nfs/dbraw/zinc/91/94/28/924919428.db2.gz DIDCDHDZJBVIFS-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748216 924919438 /nfs/dbraw/zinc/91/94/38/924919438.db2.gz DIDCDHDZJBVIFS-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001401750796 924919575 /nfs/dbraw/zinc/91/95/75/924919575.db2.gz ONHFDKQWDWPPMZ-GXFFZTMASA-N 1 1 301.387 -1.092 20 0 DAADMO Cc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCO)nn1-c1nc[nH]n1 ZINC001401754877 924920214 /nfs/dbraw/zinc/92/02/14/924920214.db2.gz JISVBJAMXNMAPC-QMMMGPOBSA-N 1 1 308.346 -1.264 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001401797327 924920891 /nfs/dbraw/zinc/92/08/91/924920891.db2.gz MROMLGOHPJQLSZ-YUMQZZPRSA-N 1 1 312.330 -1.036 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cnon1 ZINC001401797327 924920897 /nfs/dbraw/zinc/92/08/97/924920897.db2.gz MROMLGOHPJQLSZ-YUMQZZPRSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401790816 924921048 /nfs/dbraw/zinc/92/10/48/924921048.db2.gz ZSRDPCLZQBGHKW-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001401766139 924921075 /nfs/dbraw/zinc/92/10/75/924921075.db2.gz RWEHHUDJPRAOKZ-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001401766139 924921081 /nfs/dbraw/zinc/92/10/81/924921081.db2.gz RWEHHUDJPRAOKZ-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)Cn1ncn2nccc2c1=O ZINC001401777127 924921164 /nfs/dbraw/zinc/92/11/64/924921164.db2.gz KAQUJYDPNSSHNS-NSHDSACASA-N 1 1 322.369 -1.290 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401790817 924921869 /nfs/dbraw/zinc/92/18/69/924921869.db2.gz ZSRDPCLZQBGHKW-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001401761238 924922147 /nfs/dbraw/zinc/92/21/47/924922147.db2.gz INORYRYJYWVTAH-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001401785983 924922535 /nfs/dbraw/zinc/92/25/35/924922535.db2.gz SGJODWPMRDMVAC-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001401785983 924922541 /nfs/dbraw/zinc/92/25/41/924922541.db2.gz SGJODWPMRDMVAC-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001401764254 924922647 /nfs/dbraw/zinc/92/26/47/924922647.db2.gz QFKWZDGIGZWNLG-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001401764254 924922651 /nfs/dbraw/zinc/92/26/51/924922651.db2.gz QFKWZDGIGZWNLG-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@H](C[N@H+](C)CCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001401810843 924923133 /nfs/dbraw/zinc/92/31/33/924923133.db2.gz VAHNBNZAIKIZAK-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001401810843 924923140 /nfs/dbraw/zinc/92/31/40/924923140.db2.gz VAHNBNZAIKIZAK-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401824773 924923266 /nfs/dbraw/zinc/92/32/66/924923266.db2.gz QNLKVNKGMTXPMB-MRVPVSSYSA-N 1 1 319.387 -1.023 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401824773 924923272 /nfs/dbraw/zinc/92/32/72/924923272.db2.gz QNLKVNKGMTXPMB-MRVPVSSYSA-N 1 1 319.387 -1.023 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401803771 924923683 /nfs/dbraw/zinc/92/36/83/924923683.db2.gz IZTRLELAZXMLOK-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cnccc1=O ZINC001401814076 924923715 /nfs/dbraw/zinc/92/37/15/924923715.db2.gz ZBLZGRRVAWZQNP-LLVKDONJSA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cnccc1=O ZINC001401814076 924923719 /nfs/dbraw/zinc/92/37/19/924923719.db2.gz ZBLZGRRVAWZQNP-LLVKDONJSA-N 1 1 309.370 -1.184 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401845990 924924417 /nfs/dbraw/zinc/92/44/17/924924417.db2.gz CLCMVBZOQNDNMA-UWVGGRQHSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001401853888 924924451 /nfs/dbraw/zinc/92/44/51/924924451.db2.gz YPUJPKDKKDXIRQ-SECBINFHSA-N 1 1 318.341 -1.408 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401841144 924924563 /nfs/dbraw/zinc/92/45/63/924924563.db2.gz LVPLEMQDPILZKF-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnc(CNC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001401840161 924924942 /nfs/dbraw/zinc/92/49/42/924924942.db2.gz TYGPSSCYNRMDDZ-VXGBXAGGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001401840161 924924949 /nfs/dbraw/zinc/92/49/49/924924949.db2.gz TYGPSSCYNRMDDZ-VXGBXAGGSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001401846534 924925008 /nfs/dbraw/zinc/92/50/08/924925008.db2.gz GUNMXGSEDQBHLL-WDEREUQCSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401841142 924925062 /nfs/dbraw/zinc/92/50/62/924925062.db2.gz LVPLEMQDPILZKF-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnc(CNC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001401840138 924925636 /nfs/dbraw/zinc/92/56/36/924925636.db2.gz TYGPSSCYNRMDDZ-NEPJUHHUSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001401840138 924925646 /nfs/dbraw/zinc/92/56/46/924925646.db2.gz TYGPSSCYNRMDDZ-NEPJUHHUSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001401846173 924925684 /nfs/dbraw/zinc/92/56/84/924925684.db2.gz DJHPWVXKLBBZGH-MNOVXSKESA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)cc1=O ZINC001401877250 924927250 /nfs/dbraw/zinc/92/72/50/924927250.db2.gz YISUETXSXXAQJQ-LBPRGKRZSA-N 1 1 317.353 -1.238 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001401907358 924931369 /nfs/dbraw/zinc/93/13/69/924931369.db2.gz UOCKRXCMJSFCNM-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1)NC(N)=O ZINC001401897381 924931601 /nfs/dbraw/zinc/93/16/01/924931601.db2.gz XANQIWOREZFLSG-MNOVXSKESA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1)NC(N)=O ZINC001401897381 924931610 /nfs/dbraw/zinc/93/16/10/924931610.db2.gz XANQIWOREZFLSG-MNOVXSKESA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001401907369 924932085 /nfs/dbraw/zinc/93/20/85/924932085.db2.gz UOCKRXCMJSFCNM-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O ZINC001401926431 924932820 /nfs/dbraw/zinc/93/28/20/924932820.db2.gz VZQIHUSQSGXUBD-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916964 924933968 /nfs/dbraw/zinc/93/39/68/924933968.db2.gz NWXCHKLZEVFQDI-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916964 924933978 /nfs/dbraw/zinc/93/39/78/924933978.db2.gz NWXCHKLZEVFQDI-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001401923651 924934438 /nfs/dbraw/zinc/93/44/38/924934438.db2.gz LKNQVBXHDARFHQ-WDEREUQCSA-N 1 1 312.370 -1.465 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3COC(=O)N3)CC2)nc1=O ZINC001401937493 924935413 /nfs/dbraw/zinc/93/54/13/924935413.db2.gz LZWCWEXKDQEGRT-SSDOTTSWSA-N 1 1 310.314 -2.045 20 0 DAADMO CN(CC[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)S(C)(=O)=O ZINC001401953011 924936050 /nfs/dbraw/zinc/93/60/50/924936050.db2.gz JDLOQNURBVACNL-UHFFFAOYSA-N 1 1 316.387 -1.452 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CCn3cnnn3)CC2)nc1=O ZINC001401973460 924938033 /nfs/dbraw/zinc/93/80/33/924938033.db2.gz PKWRMFOMYJUEBX-UHFFFAOYSA-N 1 1 321.345 -2.076 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001401999100 924939674 /nfs/dbraw/zinc/93/96/74/924939674.db2.gz HGOOHEIXMMTMJE-BXUZGUMPSA-N 1 1 324.385 -1.245 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001402017910 924940200 /nfs/dbraw/zinc/94/02/00/924940200.db2.gz WBAJNOGLKIIQIR-LLVKDONJSA-N 1 1 323.415 -1.924 20 0 DAADMO CCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402008811 924940300 /nfs/dbraw/zinc/94/03/00/924940300.db2.gz HITCJGYCYRWHCT-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402008811 924940311 /nfs/dbraw/zinc/94/03/11/924940311.db2.gz HITCJGYCYRWHCT-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001402015991 924940373 /nfs/dbraw/zinc/94/03/73/924940373.db2.gz DZSUCJKFHVRPBS-JTQLQIEISA-N 1 1 314.386 -1.584 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001401990041 924940421 /nfs/dbraw/zinc/94/04/21/924940421.db2.gz WDVOZDXJTAQPKE-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001402043837 924941150 /nfs/dbraw/zinc/94/11/50/924941150.db2.gz OJGABNGWAUQDBK-WCQYABFASA-N 1 1 323.397 -1.010 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC001402035025 924941788 /nfs/dbraw/zinc/94/17/88/924941788.db2.gz BTVBCPRXFASZPP-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079712 924942879 /nfs/dbraw/zinc/94/28/79/924942879.db2.gz KWZYIXMTVCYPRW-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079712 924942883 /nfs/dbraw/zinc/94/28/83/924942883.db2.gz KWZYIXMTVCYPRW-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001402056116 924942966 /nfs/dbraw/zinc/94/29/66/924942966.db2.gz FVUQSXQPXUQZQG-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1cnn(CC(=O)NC2(C)CC[NH+](CC(N)=O)CC2)c1=O ZINC001402079839 924943578 /nfs/dbraw/zinc/94/35/78/924943578.db2.gz UYCGHKTZOWHYBL-UHFFFAOYSA-N 1 1 310.358 -1.962 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001402081801 924944002 /nfs/dbraw/zinc/94/40/02/924944002.db2.gz RKLWBJYITSFTIC-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO CC(=O)N1CCN([C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001402101060 924945330 /nfs/dbraw/zinc/94/53/30/924945330.db2.gz CZDAMZRAJFUPJL-ZDUSSCGKSA-N 1 1 318.443 -1.226 20 0 DAADMO CC(=O)N1CCN([C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001402101052 924945576 /nfs/dbraw/zinc/94/55/76/924945576.db2.gz CZDAMZRAJFUPJL-CYBMUJFWSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402136595 924946373 /nfs/dbraw/zinc/94/63/73/924946373.db2.gz GWOWZLRUYDVYFJ-AWEZNQCLSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402136595 924946381 /nfs/dbraw/zinc/94/63/81/924946381.db2.gz GWOWZLRUYDVYFJ-AWEZNQCLSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001402130068 924946445 /nfs/dbraw/zinc/94/64/45/924946445.db2.gz IXINNHZVWMSZCS-ZDUSSCGKSA-N 1 1 319.373 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cnccc2=O)C1 ZINC001402128162 924946638 /nfs/dbraw/zinc/94/66/38/924946638.db2.gz HSHQDGUGPNCVTE-HNNXBMFYSA-N 1 1 321.381 -1.040 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCn2cnccc2=O)C1 ZINC001402128162 924946643 /nfs/dbraw/zinc/94/66/43/924946643.db2.gz HSHQDGUGPNCVTE-HNNXBMFYSA-N 1 1 321.381 -1.040 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)COC)C1 ZINC001402124607 924947412 /nfs/dbraw/zinc/94/74/12/924947412.db2.gz FLHJUFBRMHUGOG-CMPLNLGQSA-N 1 1 322.431 -1.344 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402130713 924947732 /nfs/dbraw/zinc/94/77/32/924947732.db2.gz QXHBYJZYFUISLK-CQSZACIVSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402130713 924947742 /nfs/dbraw/zinc/94/77/42/924947742.db2.gz QXHBYJZYFUISLK-CQSZACIVSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402139658 924948455 /nfs/dbraw/zinc/94/84/55/924948455.db2.gz SLCAVWXODATRSU-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402139658 924948458 /nfs/dbraw/zinc/94/84/58/924948458.db2.gz SLCAVWXODATRSU-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402140480 924948470 /nfs/dbraw/zinc/94/84/70/924948470.db2.gz POYTWTUIAGOXCY-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402140480 924948476 /nfs/dbraw/zinc/94/84/76/924948476.db2.gz POYTWTUIAGOXCY-SKDRFNHKSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001402142500 924948849 /nfs/dbraw/zinc/94/88/49/924948849.db2.gz RWRFVCDKWKOTOT-AAEUAGOBSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001402142500 924948853 /nfs/dbraw/zinc/94/88/53/924948853.db2.gz RWRFVCDKWKOTOT-AAEUAGOBSA-N 1 1 320.411 -1.381 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138174 924948999 /nfs/dbraw/zinc/94/89/99/924948999.db2.gz PGTGDRWOCXNPDV-BXKDBHETSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001402138174 924949005 /nfs/dbraw/zinc/94/90/05/924949005.db2.gz PGTGDRWOCXNPDV-BXKDBHETSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138678 924949212 /nfs/dbraw/zinc/94/92/12/924949212.db2.gz ZRPRPZWEFBCPBO-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138678 924949214 /nfs/dbraw/zinc/94/92/14/924949214.db2.gz ZRPRPZWEFBCPBO-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402168604 924949265 /nfs/dbraw/zinc/94/92/65/924949265.db2.gz DMWZUVWGPIXQHC-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402168604 924949269 /nfs/dbraw/zinc/94/92/69/924949269.db2.gz DMWZUVWGPIXQHC-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001402148837 924949476 /nfs/dbraw/zinc/94/94/76/924949476.db2.gz RXBPQXZPBHTAHS-AWEZNQCLSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001402148837 924949479 /nfs/dbraw/zinc/94/94/79/924949479.db2.gz RXBPQXZPBHTAHS-AWEZNQCLSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001402172861 924950710 /nfs/dbraw/zinc/95/07/10/924950710.db2.gz LLPFUEOJVRRLBZ-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001402172861 924950717 /nfs/dbraw/zinc/95/07/17/924950717.db2.gz LLPFUEOJVRRLBZ-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402213464 924950779 /nfs/dbraw/zinc/95/07/79/924950779.db2.gz QYJROWSBUXHRSH-YGRLFVJLSA-N 1 1 311.386 -1.368 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001402190317 924950881 /nfs/dbraw/zinc/95/08/81/924950881.db2.gz OXSSSIXHEZILTD-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001402190317 924950885 /nfs/dbraw/zinc/95/08/85/924950885.db2.gz OXSSSIXHEZILTD-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171498 924950905 /nfs/dbraw/zinc/95/09/05/924950905.db2.gz HRHFEYIIUDMVFB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171498 924950910 /nfs/dbraw/zinc/95/09/10/924950910.db2.gz HRHFEYIIUDMVFB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO Cc1nc(CC(=O)NCC2([NH2+]CC(N)=O)CCOCC2)n[nH]1 ZINC001402225067 924952593 /nfs/dbraw/zinc/95/25/93/924952593.db2.gz ZGKGQYNMQSKLED-UHFFFAOYSA-N 1 1 310.358 -1.604 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001402240503 924952744 /nfs/dbraw/zinc/95/27/44/924952744.db2.gz BNAKGAJDQQDLPN-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001402240503 924952752 /nfs/dbraw/zinc/95/27/52/924952752.db2.gz BNAKGAJDQQDLPN-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001402221651 924953399 /nfs/dbraw/zinc/95/33/99/924953399.db2.gz VZLASPPYBBWKFT-MNOVXSKESA-N 1 1 305.400 -1.237 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C)cn2)C1 ZINC001402240059 924953550 /nfs/dbraw/zinc/95/35/50/924953550.db2.gz AZJVDWXPSIWSEI-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001402243699 924954433 /nfs/dbraw/zinc/95/44/33/924954433.db2.gz FYJQJVRAOBUQQL-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001402245802 924954488 /nfs/dbraw/zinc/95/44/88/924954488.db2.gz JTLUZDJRFGXYLT-OTYXRUKQSA-N 1 1 324.385 -1.137 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001402256375 924954969 /nfs/dbraw/zinc/95/49/69/924954969.db2.gz ABOZHMJQRDREQY-AWEZNQCLSA-N 1 1 301.387 -1.482 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001402265104 924955257 /nfs/dbraw/zinc/95/52/57/924955257.db2.gz HNUJRFXZSIQGRO-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001402265104 924955262 /nfs/dbraw/zinc/95/52/62/924955262.db2.gz HNUJRFXZSIQGRO-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402262598 924955528 /nfs/dbraw/zinc/95/55/28/924955528.db2.gz HICQPUXBXGLRII-BXUZGUMPSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402262598 924955531 /nfs/dbraw/zinc/95/55/31/924955531.db2.gz HICQPUXBXGLRII-BXUZGUMPSA-N 1 1 322.369 -1.846 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001402254885 924955552 /nfs/dbraw/zinc/95/55/52/924955552.db2.gz CGXPWMPGXKRHIS-BXKDBHETSA-N 1 1 316.383 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001402265446 924955689 /nfs/dbraw/zinc/95/56/89/924955689.db2.gz HSOHRYPBHMJLCN-GFCCVEGCSA-N 1 1 301.347 -2.786 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001402265446 924955698 /nfs/dbraw/zinc/95/56/98/924955698.db2.gz HSOHRYPBHMJLCN-GFCCVEGCSA-N 1 1 301.347 -2.786 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCCCS1(=O)=O ZINC001402265605 924955712 /nfs/dbraw/zinc/95/57/12/924955712.db2.gz HUPPUDSAGNRWCG-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCCCS1(=O)=O ZINC001402265605 924955714 /nfs/dbraw/zinc/95/57/14/924955714.db2.gz HUPPUDSAGNRWCG-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402264372 924955792 /nfs/dbraw/zinc/95/57/92/924955792.db2.gz KLCJSGVYXXWKMS-BXUZGUMPSA-N 1 1 301.387 -1.164 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402262710 924955925 /nfs/dbraw/zinc/95/59/25/924955925.db2.gz DPRLUMRPRNEHNX-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402262710 924955932 /nfs/dbraw/zinc/95/59/32/924955932.db2.gz DPRLUMRPRNEHNX-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263770 924956562 /nfs/dbraw/zinc/95/65/62/924956562.db2.gz GLNYFTVQXDQGKZ-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263770 924956566 /nfs/dbraw/zinc/95/65/66/924956566.db2.gz GLNYFTVQXDQGKZ-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001402254902 924956983 /nfs/dbraw/zinc/95/69/83/924956983.db2.gz CPAGKAMDIZJTFR-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001402254902 924956989 /nfs/dbraw/zinc/95/69/89/924956989.db2.gz CPAGKAMDIZJTFR-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402253869 924957129 /nfs/dbraw/zinc/95/71/29/924957129.db2.gz AAQRDEWDUNHJDU-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ncncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402253869 924957132 /nfs/dbraw/zinc/95/71/32/924957132.db2.gz AAQRDEWDUNHJDU-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001402272081 924958396 /nfs/dbraw/zinc/95/83/96/924958396.db2.gz WRIIZNJHHFPJJC-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001402272081 924958402 /nfs/dbraw/zinc/95/84/02/924958402.db2.gz WRIIZNJHHFPJJC-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccoc2)C1 ZINC001402268357 924958764 /nfs/dbraw/zinc/95/87/64/924958764.db2.gz QHZAXNPMYDEESV-CQSZACIVSA-N 1 1 324.337 -1.430 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccoc2)C1 ZINC001402268357 924958769 /nfs/dbraw/zinc/95/87/69/924958769.db2.gz QHZAXNPMYDEESV-CQSZACIVSA-N 1 1 324.337 -1.430 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267833 924959375 /nfs/dbraw/zinc/95/93/75/924959375.db2.gz AFHAFPNTDMQIOW-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267833 924959384 /nfs/dbraw/zinc/95/93/84/924959384.db2.gz AFHAFPNTDMQIOW-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402269752 924959755 /nfs/dbraw/zinc/95/97/55/924959755.db2.gz HXFBPCRAWAQEMT-RLPMIEJPSA-N 1 1 314.382 -1.561 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402266337 924959879 /nfs/dbraw/zinc/95/98/79/924959879.db2.gz DARJWUSMAKWRIA-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402266337 924959888 /nfs/dbraw/zinc/95/98/88/924959888.db2.gz DARJWUSMAKWRIA-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001402268786 924959999 /nfs/dbraw/zinc/95/99/99/924959999.db2.gz SFIOFCQQXPNVLE-LLVKDONJSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001402274625 924960987 /nfs/dbraw/zinc/96/09/87/924960987.db2.gz VHBCQNQJVNPMRA-QMTHXVAHSA-N 1 1 324.385 -1.575 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402277317 924961535 /nfs/dbraw/zinc/96/15/35/924961535.db2.gz TYWYUSBYWFRCEJ-XHDPSFHLSA-N 1 1 311.382 -1.267 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402277317 924961543 /nfs/dbraw/zinc/96/15/43/924961543.db2.gz TYWYUSBYWFRCEJ-XHDPSFHLSA-N 1 1 311.382 -1.267 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001402274618 924961597 /nfs/dbraw/zinc/96/15/97/924961597.db2.gz VHBCQNQJVNPMRA-HZMBPMFUSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402274773 924961660 /nfs/dbraw/zinc/96/16/60/924961660.db2.gz RHTFFNDGIOSJKU-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402274773 924961665 /nfs/dbraw/zinc/96/16/65/924961665.db2.gz RHTFFNDGIOSJKU-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1COC(=O)N1 ZINC001402273798 924961827 /nfs/dbraw/zinc/96/18/27/924961827.db2.gz ISJTVZNPNFXKDQ-SMDDNHRTSA-N 1 1 323.353 -1.456 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1COCCO1 ZINC001402273313 924962066 /nfs/dbraw/zinc/96/20/66/924962066.db2.gz VWISPSMKZXUEEE-UKRRQHHQSA-N 1 1 324.381 -1.149 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)c1=O ZINC001402272783 924962188 /nfs/dbraw/zinc/96/21/88/924962188.db2.gz JKRZADNNYWYNFN-CYBMUJFWSA-N 1 1 315.349 -1.506 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001402276416 924962205 /nfs/dbraw/zinc/96/22/05/924962205.db2.gz OZQBQGNJVRZZSQ-NOZJJQNGSA-N 1 1 323.357 -2.345 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001402274628 924962340 /nfs/dbraw/zinc/96/23/40/924962340.db2.gz VHBCQNQJVNPMRA-YGRLFVJLSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402274404 924962384 /nfs/dbraw/zinc/96/23/84/924962384.db2.gz RZZVDPLVQUWJFE-IINYFYTJSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402277310 924962513 /nfs/dbraw/zinc/96/25/13/924962513.db2.gz TYWYUSBYWFRCEJ-NHYWBVRUSA-N 1 1 311.382 -1.267 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402277310 924962518 /nfs/dbraw/zinc/96/25/18/924962518.db2.gz TYWYUSBYWFRCEJ-NHYWBVRUSA-N 1 1 311.382 -1.267 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402278718 924963008 /nfs/dbraw/zinc/96/30/08/924963008.db2.gz ROFWMRFWKVHWRC-VNUHZKFNSA-N 1 1 311.382 -1.304 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(=O)NC)C2)n1 ZINC001402284334 924963214 /nfs/dbraw/zinc/96/32/14/924963214.db2.gz QTBZQBUMPFOXRC-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(=O)NC)C2)n1 ZINC001402284334 924963219 /nfs/dbraw/zinc/96/32/19/924963219.db2.gz QTBZQBUMPFOXRC-HZMBPMFUSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(=O)NC)C2)n1 ZINC001402284349 924963322 /nfs/dbraw/zinc/96/33/22/924963322.db2.gz QTBZQBUMPFOXRC-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(=O)NC)C2)n1 ZINC001402284349 924963325 /nfs/dbraw/zinc/96/33/25/924963325.db2.gz QTBZQBUMPFOXRC-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402280566 924963352 /nfs/dbraw/zinc/96/33/52/924963352.db2.gz BSOVNGLGMCCQNR-JRPNMDOOSA-N 1 1 324.381 -2.107 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402280566 924963357 /nfs/dbraw/zinc/96/33/57/924963357.db2.gz BSOVNGLGMCCQNR-JRPNMDOOSA-N 1 1 324.381 -2.107 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001402282784 924963445 /nfs/dbraw/zinc/96/34/45/924963445.db2.gz VTGJRCKBTFHUAI-YPMHNXCESA-N 1 1 310.358 -1.737 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001402283369 924963772 /nfs/dbraw/zinc/96/37/72/924963772.db2.gz LUDFJMBDVIZQBN-CQSZACIVSA-N 1 1 322.369 -1.442 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001402283369 924963784 /nfs/dbraw/zinc/96/37/84/924963784.db2.gz LUDFJMBDVIZQBN-CQSZACIVSA-N 1 1 322.369 -1.442 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001402283700 924964026 /nfs/dbraw/zinc/96/40/26/924964026.db2.gz BTLDMQMYLAJDNQ-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001402283687 924964198 /nfs/dbraw/zinc/96/41/98/924964198.db2.gz BTLDMQMYLAJDNQ-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001402278734 924964357 /nfs/dbraw/zinc/96/43/57/924964357.db2.gz CZCQAKYGTJGCPA-CYBMUJFWSA-N 1 1 311.342 -1.238 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001402278734 924964361 /nfs/dbraw/zinc/96/43/61/924964361.db2.gz CZCQAKYGTJGCPA-CYBMUJFWSA-N 1 1 311.342 -1.238 20 0 DAADMO CN(C)C(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402288781 924965679 /nfs/dbraw/zinc/96/56/79/924965679.db2.gz LASWCYMOOVYKMG-WFASDCNBSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001402292751 924966367 /nfs/dbraw/zinc/96/63/67/924966367.db2.gz RDKFQVVHDYVRLZ-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001402292751 924966369 /nfs/dbraw/zinc/96/63/69/924966369.db2.gz RDKFQVVHDYVRLZ-CQSZACIVSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001402287473 924966706 /nfs/dbraw/zinc/96/67/06/924966706.db2.gz URHNQNLGRPMDAM-IINYFYTJSA-N 1 1 322.369 -1.740 20 0 DAADMO COCC1(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402292042 924966942 /nfs/dbraw/zinc/96/69/42/924966942.db2.gz OICYJAHXTQUWRB-IAQYHMDHSA-N 1 1 311.382 -1.146 20 0 DAADMO COCC1(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402292042 924966946 /nfs/dbraw/zinc/96/69/46/924966946.db2.gz OICYJAHXTQUWRB-IAQYHMDHSA-N 1 1 311.382 -1.146 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001402295354 924967879 /nfs/dbraw/zinc/96/78/79/924967879.db2.gz KNOYADQYADAJTB-CYBMUJFWSA-N 1 1 311.342 -1.319 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001402295354 924967889 /nfs/dbraw/zinc/96/78/89/924967889.db2.gz KNOYADQYADAJTB-CYBMUJFWSA-N 1 1 311.342 -1.319 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402295419 924968626 /nfs/dbraw/zinc/96/86/26/924968626.db2.gz RRHJBBCHIAIILS-ABAIWWIYSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402297151 924969159 /nfs/dbraw/zinc/96/91/59/924969159.db2.gz UIGQZEFCRZAJAH-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402297151 924969167 /nfs/dbraw/zinc/96/91/67/924969167.db2.gz UIGQZEFCRZAJAH-OAHLLOKOSA-N 1 1 321.381 -1.181 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001402300378 924969361 /nfs/dbraw/zinc/96/93/61/924969361.db2.gz NMUBLJOMKAWYCW-AWEZNQCLSA-N 1 1 324.385 -1.953 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001402300378 924969362 /nfs/dbraw/zinc/96/93/62/924969362.db2.gz NMUBLJOMKAWYCW-AWEZNQCLSA-N 1 1 324.385 -1.953 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402304999 924970999 /nfs/dbraw/zinc/97/09/99/924970999.db2.gz HQQSODJIBRVVAF-JTQLQIEISA-N 1 1 300.359 -2.774 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402304999 924971005 /nfs/dbraw/zinc/97/10/05/924971005.db2.gz HQQSODJIBRVVAF-JTQLQIEISA-N 1 1 300.359 -2.774 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402305494 924971561 /nfs/dbraw/zinc/97/15/61/924971561.db2.gz YFQWWGBSPPMTCG-ZWNOBZJWSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402305494 924971568 /nfs/dbraw/zinc/97/15/68/924971568.db2.gz YFQWWGBSPPMTCG-ZWNOBZJWSA-N 1 1 300.359 -2.061 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]([NH2+]Cc1cnon1)C1CC1 ZINC001402316384 924972485 /nfs/dbraw/zinc/97/24/85/924972485.db2.gz PTKDRRKLJDRZEY-GFCCVEGCSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001402315546 924972884 /nfs/dbraw/zinc/97/28/84/924972884.db2.gz QEOSSYXNQQYOMB-QWRGUYRKSA-N 1 1 321.385 -1.279 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001402312856 924972927 /nfs/dbraw/zinc/97/29/27/924972927.db2.gz ITQOWEPYXSVMJV-AWEZNQCLSA-N 1 1 309.370 -1.115 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001402312856 924972937 /nfs/dbraw/zinc/97/29/37/924972937.db2.gz ITQOWEPYXSVMJV-AWEZNQCLSA-N 1 1 309.370 -1.115 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001402315551 924973168 /nfs/dbraw/zinc/97/31/68/924973168.db2.gz QEOSSYXNQQYOMB-WDEREUQCSA-N 1 1 321.385 -1.279 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402319593 924974848 /nfs/dbraw/zinc/97/48/48/924974848.db2.gz RJQNYPJRKSAKOV-IUODEOHRSA-N 1 1 321.381 -1.298 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402319593 924974857 /nfs/dbraw/zinc/97/48/57/924974857.db2.gz RJQNYPJRKSAKOV-IUODEOHRSA-N 1 1 321.381 -1.298 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)n1cccn1 ZINC001402321676 924975275 /nfs/dbraw/zinc/97/52/75/924975275.db2.gz UKAMFNQKQPQBMQ-SMDDNHRTSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)n1cccn1 ZINC001402321676 924975288 /nfs/dbraw/zinc/97/52/88/924975288.db2.gz UKAMFNQKQPQBMQ-SMDDNHRTSA-N 1 1 309.370 -1.128 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COCc2cccnc2)C1 ZINC001402325222 924975596 /nfs/dbraw/zinc/97/55/96/924975596.db2.gz ZRNLMKJBFOUTDS-OAHLLOKOSA-N 1 1 322.365 -1.364 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COCc2cccnc2)C1 ZINC001402325222 924975598 /nfs/dbraw/zinc/97/55/98/924975598.db2.gz ZRNLMKJBFOUTDS-OAHLLOKOSA-N 1 1 322.365 -1.364 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402327180 924976405 /nfs/dbraw/zinc/97/64/05/924976405.db2.gz YQWUJLWYBSOXHS-NSHDSACASA-N 1 1 308.386 -1.428 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001402329343 924976474 /nfs/dbraw/zinc/97/64/74/924976474.db2.gz XCWAHJBILNWSFR-OUAUKWLOSA-N 1 1 306.370 -1.079 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001402329520 924976813 /nfs/dbraw/zinc/97/68/13/924976813.db2.gz DHZCACCOVRJFAZ-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402334201 924977468 /nfs/dbraw/zinc/97/74/68/924977468.db2.gz IUNOEMDXINCMAO-GFCCVEGCSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001402338024 924979412 /nfs/dbraw/zinc/97/94/12/924979412.db2.gz SDSCOYVIXZJQDC-UTUOFQBUSA-N 1 1 310.398 -1.622 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1)C1CCC1 ZINC001402336616 924980281 /nfs/dbraw/zinc/98/02/81/924980281.db2.gz LSGVXQPIZFGYSY-ZDUSSCGKSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)C1 ZINC001402357950 924987017 /nfs/dbraw/zinc/98/70/17/924987017.db2.gz UAMKODDOHKSNBB-LBPRGKRZSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN([C@H]3CCCNC3=O)C2)C1 ZINC001402360561 924988277 /nfs/dbraw/zinc/98/82/77/924988277.db2.gz ZZUWJXYOAOBERN-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001402376752 924991444 /nfs/dbraw/zinc/99/14/44/924991444.db2.gz IKQCUGNJJPHCOW-UHFFFAOYSA-N 1 1 307.416 -1.161 20 0 DAADMO COC1CC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)C1 ZINC001402417381 924994554 /nfs/dbraw/zinc/99/45/54/924994554.db2.gz DWULIVQCSGAGPI-WSVSKBAQSA-N 1 1 324.381 -1.004 20 0 DAADMO O=C(NCCN1CCC([NH2+][C@@H]2CCNC2=O)CC1)c1cnn[nH]1 ZINC001402429691 924994620 /nfs/dbraw/zinc/99/46/20/924994620.db2.gz OASSJLFKEBCRBR-LLVKDONJSA-N 1 1 321.385 -1.523 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cccnn3)C[C@H]2C1 ZINC001402418553 924994644 /nfs/dbraw/zinc/99/46/44/924994644.db2.gz HNLMSUYSLVQUIT-AOOOYVTPSA-N 1 1 318.337 -1.325 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001402426478 924994680 /nfs/dbraw/zinc/99/46/80/924994680.db2.gz YYRPUUIHMWKQJK-GRYCIOLGSA-N 1 1 309.370 -1.255 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001402426478 924994686 /nfs/dbraw/zinc/99/46/86/924994686.db2.gz YYRPUUIHMWKQJK-GRYCIOLGSA-N 1 1 309.370 -1.255 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001402426478 924994693 /nfs/dbraw/zinc/99/46/93/924994693.db2.gz YYRPUUIHMWKQJK-GRYCIOLGSA-N 1 1 309.370 -1.255 20 0 DAADMO CC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001402439464 924997317 /nfs/dbraw/zinc/99/73/17/924997317.db2.gz UAHYMUNBAKUSJM-ZFWWWQNUSA-N 1 1 313.398 -1.067 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001402458505 924998546 /nfs/dbraw/zinc/99/85/46/924998546.db2.gz ZUSGKEKIMOVLTR-GXFFZTMASA-N 1 1 302.375 -1.761 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402455330 924998778 /nfs/dbraw/zinc/99/87/78/924998778.db2.gz GIONZAZYVVFAKJ-NSHDSACASA-N 1 1 324.403 -3.024 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001402455126 924999193 /nfs/dbraw/zinc/99/91/93/924999193.db2.gz UGIHJZGOUNZZHG-FZMZJTMJSA-N 1 1 316.402 -1.371 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)nc1 ZINC001402460066 925000464 /nfs/dbraw/zinc/00/04/64/925000464.db2.gz RMVGYYYJSXAJJX-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001402465897 925000758 /nfs/dbraw/zinc/00/07/58/925000758.db2.gz XKWLTQXNIKXWBK-RWMBFGLXSA-N 1 1 324.385 -1.397 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001402472222 925000924 /nfs/dbraw/zinc/00/09/24/925000924.db2.gz ZKHFLKBKVSBJPE-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001402459936 925001666 /nfs/dbraw/zinc/00/16/66/925001666.db2.gz BQMQYAHJKRVVJT-RWMBFGLXSA-N 1 1 324.385 -1.397 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@H+](C(C)C)C1 ZINC001402460889 925002780 /nfs/dbraw/zinc/00/27/80/925002780.db2.gz SOKJWXIPBYQLAC-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001402492114 925003626 /nfs/dbraw/zinc/00/36/26/925003626.db2.gz IIRUDIFPEGFWFD-GUBZILKMSA-N 1 1 324.389 -1.173 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)NC[C@@H]1CCOC1 ZINC001402503853 925005820 /nfs/dbraw/zinc/00/58/20/925005820.db2.gz AZSSVHUZRNVTHO-DCAQKATOSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@H](O)CN1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001402533444 925008671 /nfs/dbraw/zinc/00/86/71/925008671.db2.gz SICSGNNKMVAQRN-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)C1 ZINC001402566028 925010810 /nfs/dbraw/zinc/01/08/10/925010810.db2.gz QUSPPMDDACKZSG-IAQYHMDHSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001402540045 925010869 /nfs/dbraw/zinc/01/08/69/925010869.db2.gz SNWXROXLNNYMLT-KYZUINATSA-N 1 1 317.371 -1.302 20 0 DAADMO CCc1cc(C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)n[nH]1 ZINC001402553253 925010964 /nfs/dbraw/zinc/01/09/64/925010964.db2.gz OYAFYBXERTUBLQ-LLVKDONJSA-N 1 1 309.370 -1.115 20 0 DAADMO O=C(CCc1nc[nH]n1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001402565945 925011202 /nfs/dbraw/zinc/01/12/02/925011202.db2.gz YEDQQLKZVSSNDS-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]2(CO)CCC[N@H+](C[C@H](C)O)C2)C1 ZINC001402566035 925011398 /nfs/dbraw/zinc/01/13/98/925011398.db2.gz QUSPPMDDACKZSG-XHDPSFHLSA-N 1 1 313.398 -1.211 20 0 DAADMO CCc1cc(C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)n[nH]1 ZINC001402553256 925011969 /nfs/dbraw/zinc/01/19/69/925011969.db2.gz OYAFYBXERTUBLQ-NSHDSACASA-N 1 1 309.370 -1.115 20 0 DAADMO O=C(CCc1nc[nH]n1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001402565941 925012143 /nfs/dbraw/zinc/01/21/43/925012143.db2.gz YEDQQLKZVSSNDS-LLVKDONJSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001402579490 925012530 /nfs/dbraw/zinc/01/25/30/925012530.db2.gz VWAMSOJVXAVYJO-LPEHRKFASA-N 1 1 309.374 -1.001 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001402587863 925012585 /nfs/dbraw/zinc/01/25/85/925012585.db2.gz CHWRIGRYPBOHTM-TXEJJXNPSA-N 1 1 323.353 -1.336 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001402599933 925014813 /nfs/dbraw/zinc/01/48/13/925014813.db2.gz JHZBFRJQTWIRKD-VIFPVBQESA-N 1 1 323.357 -1.406 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001402597484 925016263 /nfs/dbraw/zinc/01/62/63/925016263.db2.gz OUSOEUPKPIKJMM-WPRPVWTQSA-N 1 1 312.330 -1.557 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001402655304 925018718 /nfs/dbraw/zinc/01/87/18/925018718.db2.gz HVXWWBGKKVXCPS-LBPRGKRZSA-N 1 1 301.387 -1.040 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001402634120 925019523 /nfs/dbraw/zinc/01/95/23/925019523.db2.gz PVHBZFCEKATJCH-LBPRGKRZSA-N 1 1 322.427 -1.181 20 0 DAADMO C[C@H](O)CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001402692130 925022289 /nfs/dbraw/zinc/02/22/89/925022289.db2.gz JSPAJLREHTUEMM-RYUDHWBXSA-N 1 1 324.385 -1.206 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001402665258 925022372 /nfs/dbraw/zinc/02/23/72/925022372.db2.gz JREGAXKEYWTWTE-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001402707552 925022916 /nfs/dbraw/zinc/02/29/16/925022916.db2.gz DDHMOSJNKYPAHG-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001402707504 925024100 /nfs/dbraw/zinc/02/41/00/925024100.db2.gz CXYJCNAZEBMHEX-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001402723643 925024510 /nfs/dbraw/zinc/02/45/10/925024510.db2.gz CSDFAFROFZCVSY-ZDUSSCGKSA-N 1 1 310.358 -1.503 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001402730068 925025281 /nfs/dbraw/zinc/02/52/81/925025281.db2.gz OPDVZFRHDCLKLG-CQSZACIVSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402762680 925026682 /nfs/dbraw/zinc/02/66/82/925026682.db2.gz HVVFSAGRBCRMPP-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1C ZINC001402794388 925028681 /nfs/dbraw/zinc/02/86/81/925028681.db2.gz PQMSDAWQYCIIEO-ONGXEEELSA-N 1 1 322.369 -1.156 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001402780102 925029188 /nfs/dbraw/zinc/02/91/88/925029188.db2.gz YEOQNMZYWYFLEM-SSKLVLDBSA-N 1 1 311.382 -1.482 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC(O)(C[NH2+]Cc2ccon2)CC1 ZINC001402792263 925029778 /nfs/dbraw/zinc/02/97/78/925029778.db2.gz KVPGQLRLYBKSBN-NSHDSACASA-N 1 1 323.353 -1.201 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001402815407 925030799 /nfs/dbraw/zinc/03/07/99/925030799.db2.gz UPBLFPFITCOXRX-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001402815407 925030810 /nfs/dbraw/zinc/03/08/10/925030810.db2.gz UPBLFPFITCOXRX-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001402809283 925031822 /nfs/dbraw/zinc/03/18/22/925031822.db2.gz APIGEASIFMYSEA-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001402800831 925032027 /nfs/dbraw/zinc/03/20/27/925032027.db2.gz JEIBGMJQIKJFGD-SQXHDICFSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001402800831 925032037 /nfs/dbraw/zinc/03/20/37/925032037.db2.gz JEIBGMJQIKJFGD-SQXHDICFSA-N 1 1 318.399 -2.156 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001402809284 925032159 /nfs/dbraw/zinc/03/21/59/925032159.db2.gz APIGEASIFMYSEA-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)n2cncn2)CC1 ZINC001402860711 925032954 /nfs/dbraw/zinc/03/29/54/925032954.db2.gz IFIUCZRXRSHVRG-NSHDSACASA-N 1 1 324.385 -1.472 20 0 DAADMO C[C@@H](CCNC(=O)CCc1c[nH]nn1)[NH2+]Cc1nnnn1C ZINC001402839408 925033680 /nfs/dbraw/zinc/03/36/80/925033680.db2.gz BVEQWWLBCKZUJV-VIFPVBQESA-N 1 1 307.362 -1.055 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001402846915 925033870 /nfs/dbraw/zinc/03/38/70/925033870.db2.gz SLLTVMKSFVLHMO-QMMMGPOBSA-N 1 1 305.346 -1.037 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccnn2C)CC1 ZINC001402856442 925034792 /nfs/dbraw/zinc/03/47/92/925034792.db2.gz BMCXLNVWFHTJDI-SNVBAGLBSA-N 1 1 309.370 -1.149 20 0 DAADMO Cn1cncc1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001402875720 925036898 /nfs/dbraw/zinc/03/68/98/925036898.db2.gz IQXWMEZVKXOJSK-NSHDSACASA-N 1 1 321.381 -1.135 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001402894858 925038561 /nfs/dbraw/zinc/03/85/61/925038561.db2.gz OSWMQUWXLVVFBM-UHFFFAOYSA-N 1 1 323.397 -1.050 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001402896186 925039001 /nfs/dbraw/zinc/03/90/01/925039001.db2.gz QRCVYSAOBQBREE-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+][C@H](C)c1nncn1C ZINC001402900319 925039971 /nfs/dbraw/zinc/03/99/71/925039971.db2.gz BPXNSOZIUCPEHK-GHMZBOCLSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)COCc2nncn2C)CC[N@@H+]1CC(N)=O ZINC001402903584 925040191 /nfs/dbraw/zinc/04/01/91/925040191.db2.gz DPXRDULFXBFMPM-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)COCc2nncn2C)CC[N@H+]1CC(N)=O ZINC001402903584 925040200 /nfs/dbraw/zinc/04/02/00/925040200.db2.gz DPXRDULFXBFMPM-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H](CNC(=O)C(C)(C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001402910172 925040654 /nfs/dbraw/zinc/04/06/54/925040654.db2.gz CMFLMHOSJBPTDS-LLVKDONJSA-N 1 1 300.403 -1.076 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001402918015 925041456 /nfs/dbraw/zinc/04/14/56/925041456.db2.gz AJQOWIMFRAURPQ-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)COCc2nncn2C)CC[N@@H+]1CC(N)=O ZINC001402903575 925041686 /nfs/dbraw/zinc/04/16/86/925041686.db2.gz DPXRDULFXBFMPM-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)COCc2nncn2C)CC[N@H+]1CC(N)=O ZINC001402903575 925041695 /nfs/dbraw/zinc/04/16/95/925041695.db2.gz DPXRDULFXBFMPM-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001402933556 925042398 /nfs/dbraw/zinc/04/23/98/925042398.db2.gz LXQNPKHNNIAARA-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1nnnn1C ZINC001402962727 925043083 /nfs/dbraw/zinc/04/30/83/925043083.db2.gz UWNUPRYHPWKTPV-MPPDQPJWSA-N 1 1 324.385 -1.144 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001402937288 925043531 /nfs/dbraw/zinc/04/35/31/925043531.db2.gz ZTRNIMYGGIPMCH-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402945974 925043821 /nfs/dbraw/zinc/04/38/21/925043821.db2.gz XJSMYLPCNHMJHR-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001402991995 925044748 /nfs/dbraw/zinc/04/47/48/925044748.db2.gz GVNJBSQWWQKERV-YUMQZZPRSA-N 1 1 320.375 -1.894 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032700 925046825 /nfs/dbraw/zinc/04/68/25/925046825.db2.gz KXJMSJXFVVAIOH-DTWKUNHWSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032700 925046834 /nfs/dbraw/zinc/04/68/34/925046834.db2.gz KXJMSJXFVVAIOH-DTWKUNHWSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001402999608 925048043 /nfs/dbraw/zinc/04/80/43/925048043.db2.gz IXAUFWNOOCCYAI-BBBLOLIVSA-N 1 1 309.374 -1.294 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001403022568 925048114 /nfs/dbraw/zinc/04/81/14/925048114.db2.gz GCBHKLSIUQYMOQ-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001403049618 925050711 /nfs/dbraw/zinc/05/07/11/925050711.db2.gz FPCRFXZUEIXUFI-SFYZADRCSA-N 1 1 319.391 -2.258 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnccn1 ZINC001403113510 925051081 /nfs/dbraw/zinc/05/10/81/925051081.db2.gz WDQROEQOZLSJKU-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnccn1 ZINC001403113510 925051089 /nfs/dbraw/zinc/05/10/89/925051089.db2.gz WDQROEQOZLSJKU-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1 ZINC001403098679 925051149 /nfs/dbraw/zinc/05/11/49/925051149.db2.gz OXOWTLCBVVQFRY-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1 ZINC001403098679 925051157 /nfs/dbraw/zinc/05/11/57/925051157.db2.gz OXOWTLCBVVQFRY-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001403109129 925052007 /nfs/dbraw/zinc/05/20/07/925052007.db2.gz KUKRVFYHXCOHNU-ZJUUUORDSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111452 925052285 /nfs/dbraw/zinc/05/22/85/925052285.db2.gz ICUMXOYOEZLJIJ-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111452 925052297 /nfs/dbraw/zinc/05/22/97/925052297.db2.gz ICUMXOYOEZLJIJ-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001403090641 925052531 /nfs/dbraw/zinc/05/25/31/925052531.db2.gz VUNPFJMMGUMCQO-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001403109124 925052560 /nfs/dbraw/zinc/05/25/60/925052560.db2.gz KUKRVFYHXCOHNU-UWVGGRQHSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001403090644 925052835 /nfs/dbraw/zinc/05/28/35/925052835.db2.gz VUNPFJMMGUMCQO-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2nccn2C)c(=O)n1C ZINC001403088638 925052886 /nfs/dbraw/zinc/05/28/86/925052886.db2.gz PFVJETJDGOUCQO-JTQLQIEISA-N 1 1 321.385 -1.082 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001403120764 925054051 /nfs/dbraw/zinc/05/40/51/925054051.db2.gz OZHZFTLGRMRBGK-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001403120764 925054056 /nfs/dbraw/zinc/05/40/56/925054056.db2.gz OZHZFTLGRMRBGK-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403133958 925054304 /nfs/dbraw/zinc/05/43/04/925054304.db2.gz IIWGLBSPDULBAB-ZETCQYMHSA-N 1 1 304.376 -1.743 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncnn1C ZINC001403147991 925055057 /nfs/dbraw/zinc/05/50/57/925055057.db2.gz UJBOCWTXLFIEIV-BDAKNGLRSA-N 1 1 316.387 -1.899 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001403130052 925055212 /nfs/dbraw/zinc/05/52/12/925055212.db2.gz LDZSEJIOIXWFJD-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001403130052 925055220 /nfs/dbraw/zinc/05/52/20/925055220.db2.gz LDZSEJIOIXWFJD-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001403143901 925055384 /nfs/dbraw/zinc/05/53/84/925055384.db2.gz SOZNVYZPKHLSRB-QWRGUYRKSA-N 1 1 312.370 -1.636 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@H+](C)C[C@H](C)O ZINC001403143891 925055528 /nfs/dbraw/zinc/05/55/28/925055528.db2.gz SOZNVYZPKHLSRB-MNOVXSKESA-N 1 1 312.370 -1.636 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)CCn1cncn1 ZINC001403167480 925056574 /nfs/dbraw/zinc/05/65/74/925056574.db2.gz SYAHKFFOLDDZTP-LBPRGKRZSA-N 1 1 323.401 -1.854 20 0 DAADMO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)S(C)(=O)=O ZINC001403167738 925057079 /nfs/dbraw/zinc/05/70/79/925057079.db2.gz MCUOTASRADTNMG-VIFPVBQESA-N 1 1 317.371 -1.349 20 0 DAADMO C[C@@H](CNC(=O)c1cccc(=O)n1C)[N@H+](C)CC(=O)NC(N)=O ZINC001403159797 925058081 /nfs/dbraw/zinc/05/80/81/925058081.db2.gz GZZYRBKGYNSUTJ-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](CNC(=O)c1cccc(=O)n1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001403159797 925058087 /nfs/dbraw/zinc/05/80/87/925058087.db2.gz GZZYRBKGYNSUTJ-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001403155414 925058247 /nfs/dbraw/zinc/05/82/47/925058247.db2.gz DRRYXWNSXGPMTE-NWDGAFQWSA-N 1 1 316.402 -2.138 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001403185293 925058700 /nfs/dbraw/zinc/05/87/00/925058700.db2.gz GPUWXLBGCZOBGM-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001403185293 925058707 /nfs/dbraw/zinc/05/87/07/925058707.db2.gz GPUWXLBGCZOBGM-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COC[C@@H](O)CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001403199333 925059501 /nfs/dbraw/zinc/05/95/01/925059501.db2.gz KOVFSNKVWLCGIB-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1cnnc1CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001403197474 925059958 /nfs/dbraw/zinc/05/99/58/925059958.db2.gz KGNZWAKZQADYKS-LBPRGKRZSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001403185001 925060024 /nfs/dbraw/zinc/06/00/24/925060024.db2.gz LBYXFCGKTAPTMK-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001403185001 925060034 /nfs/dbraw/zinc/06/00/34/925060034.db2.gz LBYXFCGKTAPTMK-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncn1C)[N@H+](C)CC(=O)NC(N)=O ZINC001403178175 925060342 /nfs/dbraw/zinc/06/03/42/925060342.db2.gz BQNQHBRYCYVEFI-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncn1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001403178175 925060351 /nfs/dbraw/zinc/06/03/51/925060351.db2.gz BQNQHBRYCYVEFI-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001403209408 925061390 /nfs/dbraw/zinc/06/13/90/925061390.db2.gz VXHDKCBPZUUBSO-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403209408 925061401 /nfs/dbraw/zinc/06/14/01/925061401.db2.gz VXHDKCBPZUUBSO-IUCAKERBSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001403218559 925063244 /nfs/dbraw/zinc/06/32/44/925063244.db2.gz KRGZPQCPVIFUDU-GRYCIOLGSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001403221483 925063656 /nfs/dbraw/zinc/06/36/56/925063656.db2.gz MMSGNCCKUHXLGV-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccnc1)[N@H+](C)CCNS(C)(=O)=O ZINC001403228667 925064367 /nfs/dbraw/zinc/06/43/67/925064367.db2.gz XQVLYHIKANOIRC-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccnc1)[N@@H+](C)CCNS(C)(=O)=O ZINC001403228667 925064378 /nfs/dbraw/zinc/06/43/78/925064378.db2.gz XQVLYHIKANOIRC-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001403226315 925065544 /nfs/dbraw/zinc/06/55/44/925065544.db2.gz ZSXMLHBUPLGUNQ-UHFFFAOYSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001403241557 925066370 /nfs/dbraw/zinc/06/63/70/925066370.db2.gz YZAUWDFYMQZWNX-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COCC3CC3)[C@@H]2C1 ZINC001403374879 925073597 /nfs/dbraw/zinc/07/35/97/925073597.db2.gz SEVKGHBODZUGTB-CNDDSTCGSA-N 1 1 324.381 -1.098 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001403383737 925073985 /nfs/dbraw/zinc/07/39/85/925073985.db2.gz SBNFHZIRZSYGJJ-KKOKHZNYSA-N 1 1 319.427 -1.400 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001403385776 925074384 /nfs/dbraw/zinc/07/43/84/925074384.db2.gz RHNBCYDLMDQCJO-PSVAKVPMSA-N 1 1 321.341 -1.832 20 0 DAADMO Cc1noc(C[NH2+][C@H](C)CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001403402746 925075251 /nfs/dbraw/zinc/07/52/51/925075251.db2.gz FPWGGCPOCMPZER-SNVBAGLBSA-N 1 1 324.385 -1.206 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001403386810 925075792 /nfs/dbraw/zinc/07/57/92/925075792.db2.gz WKWPBQAFXLJUMP-RTCCRHLQSA-N 1 1 305.400 -1.788 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001403395480 925075859 /nfs/dbraw/zinc/07/58/59/925075859.db2.gz JNIXENFWCZIXNC-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001403395480 925075868 /nfs/dbraw/zinc/07/58/68/925075868.db2.gz JNIXENFWCZIXNC-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001403402491 925076233 /nfs/dbraw/zinc/07/62/33/925076233.db2.gz FVAPKJILCPUDSR-PSVAKVPMSA-N 1 1 304.372 -2.685 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001403432117 925077779 /nfs/dbraw/zinc/07/77/79/925077779.db2.gz ZRDFZVCYZFNMFR-FIQHERPVSA-N 1 1 310.398 -1.120 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001403462942 925078266 /nfs/dbraw/zinc/07/82/66/925078266.db2.gz GJRAZTIEAQUGHD-RYUDHWBXSA-N 1 1 300.403 -1.076 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498066 925079790 /nfs/dbraw/zinc/07/97/90/925079790.db2.gz SMMUXFJWOUUUJI-RYUDHWBXSA-N 1 1 324.385 -1.048 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403498779 925080247 /nfs/dbraw/zinc/08/02/47/925080247.db2.gz ZXBGOTICYDFCHI-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403512875 925080580 /nfs/dbraw/zinc/08/05/80/925080580.db2.gz AHJFUGDHKNQDJX-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403512875 925080588 /nfs/dbraw/zinc/08/05/88/925080588.db2.gz AHJFUGDHKNQDJX-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001403505373 925081134 /nfs/dbraw/zinc/08/11/34/925081134.db2.gz CAOOIXPEVDYUTH-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CCO[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001403505373 925081139 /nfs/dbraw/zinc/08/11/39/925081139.db2.gz CAOOIXPEVDYUTH-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001403509856 925081659 /nfs/dbraw/zinc/08/16/59/925081659.db2.gz NJHAOPUNQCSYGB-IUCAKERBSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001403509856 925081666 /nfs/dbraw/zinc/08/16/66/925081666.db2.gz NJHAOPUNQCSYGB-IUCAKERBSA-N 1 1 314.342 -1.701 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001403551664 925084000 /nfs/dbraw/zinc/08/40/00/925084000.db2.gz WXAPMJOPBQTBNX-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001403551664 925084008 /nfs/dbraw/zinc/08/40/08/925084008.db2.gz WXAPMJOPBQTBNX-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001403538294 925084247 /nfs/dbraw/zinc/08/42/47/925084247.db2.gz GUHSNXJVMKVVDQ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001403538294 925084255 /nfs/dbraw/zinc/08/42/55/925084255.db2.gz GUHSNXJVMKVVDQ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@@H]1CCCCO1 ZINC001403558731 925084503 /nfs/dbraw/zinc/08/45/03/925084503.db2.gz AGMQSZHXKWOEPA-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001403544528 925084552 /nfs/dbraw/zinc/08/45/52/925084552.db2.gz JAMSIJAXMHPQGU-QWRGUYRKSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001403548519 925084855 /nfs/dbraw/zinc/08/48/55/925084855.db2.gz PEMOGHHDRDGSNR-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001403548519 925084864 /nfs/dbraw/zinc/08/48/64/925084864.db2.gz PEMOGHHDRDGSNR-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)c1=O ZINC001403571450 925085409 /nfs/dbraw/zinc/08/54/09/925085409.db2.gz WYQXFTBVTLYDAS-SNVBAGLBSA-N 1 1 323.353 -2.517 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)c1=O ZINC001403571450 925085416 /nfs/dbraw/zinc/08/54/16/925085416.db2.gz WYQXFTBVTLYDAS-SNVBAGLBSA-N 1 1 323.353 -2.517 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001403574468 925085547 /nfs/dbraw/zinc/08/55/47/925085547.db2.gz OXDNOCGXPRDHRT-JTQLQIEISA-N 1 1 324.389 -1.438 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001403584697 925086287 /nfs/dbraw/zinc/08/62/87/925086287.db2.gz SSFKAGWKAYIABQ-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001403584697 925086298 /nfs/dbraw/zinc/08/62/98/925086298.db2.gz SSFKAGWKAYIABQ-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001403571606 925087064 /nfs/dbraw/zinc/08/70/64/925087064.db2.gz RRFPDUCAQFCSNJ-BDAKNGLRSA-N 1 1 312.378 -1.363 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403599926 925087626 /nfs/dbraw/zinc/08/76/26/925087626.db2.gz JXZJBOCBRQQRBJ-CBAPKCEASA-N 1 1 324.341 -1.087 20 0 DAADMO CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001403620040 925088239 /nfs/dbraw/zinc/08/82/39/925088239.db2.gz JJGQUDFSAZLRME-JTQLQIEISA-N 1 1 302.375 -1.896 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001403616951 925088916 /nfs/dbraw/zinc/08/89/16/925088916.db2.gz MJQOROABGPCCSK-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ncc(OC)cn1 ZINC001403616951 925088928 /nfs/dbraw/zinc/08/89/28/925088928.db2.gz MJQOROABGPCCSK-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001403596503 925089204 /nfs/dbraw/zinc/08/92/04/925089204.db2.gz VCCKQCYWZNFIEV-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403599923 925089613 /nfs/dbraw/zinc/08/96/13/925089613.db2.gz JXZJBOCBRQQRBJ-APPZFPTMSA-N 1 1 324.341 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnc(OC)n1 ZINC001403624734 925090227 /nfs/dbraw/zinc/09/02/27/925090227.db2.gz HPCFFQIMBHKUOO-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(OC)n1 ZINC001403624734 925090235 /nfs/dbraw/zinc/09/02/35/925090235.db2.gz HPCFFQIMBHKUOO-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)CCn2cncn2)c1=O ZINC001403637486 925091132 /nfs/dbraw/zinc/09/11/32/925091132.db2.gz KMDJKKBFVJGMMI-UHFFFAOYSA-N 1 1 322.373 -1.688 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001403636416 925092352 /nfs/dbraw/zinc/09/23/52/925092352.db2.gz RIRZDUPOMGWBGD-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001403636416 925092359 /nfs/dbraw/zinc/09/23/59/925092359.db2.gz RIRZDUPOMGWBGD-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CCn1ncnc1CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403644367 925092826 /nfs/dbraw/zinc/09/28/26/925092826.db2.gz GFSKBSNPEGVWHS-NEPJUHHUSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCCN(C)C2=O)n[nH]1 ZINC001403646157 925092981 /nfs/dbraw/zinc/09/29/81/925092981.db2.gz AHNOUFOEOWSIKK-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001403645685 925093158 /nfs/dbraw/zinc/09/31/58/925093158.db2.gz KFWLSEFBHQTQQK-JTQLQIEISA-N 1 1 305.356 -1.406 20 0 DAADMO CCn1ncnc1CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403644378 925093772 /nfs/dbraw/zinc/09/37/72/925093772.db2.gz GFSKBSNPEGVWHS-VXGBXAGGSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1ncnc1CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403644375 925094686 /nfs/dbraw/zinc/09/46/86/925094686.db2.gz GFSKBSNPEGVWHS-RYUDHWBXSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403653004 925099223 /nfs/dbraw/zinc/09/92/23/925099223.db2.gz TWBGUMFWAODBCS-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1C ZINC001403655577 925100467 /nfs/dbraw/zinc/10/04/67/925100467.db2.gz BKYPXIGFTZPKPQ-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cc1ncc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1C ZINC001403655577 925100471 /nfs/dbraw/zinc/10/04/71/925100471.db2.gz BKYPXIGFTZPKPQ-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N1CCC1 ZINC001403656473 925101336 /nfs/dbraw/zinc/10/13/36/925101336.db2.gz AWFFLTJXNLVADQ-IJLUTSLNSA-N 1 1 321.381 -1.188 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)=O ZINC001403663384 925105994 /nfs/dbraw/zinc/10/59/94/925105994.db2.gz WABYTAGLISHWCZ-NSHDSACASA-N 1 1 312.374 -1.657 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)C1=O ZINC001403665004 925106153 /nfs/dbraw/zinc/10/61/53/925106153.db2.gz KFVGGXURJHQLSJ-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001403668252 925108555 /nfs/dbraw/zinc/10/85/55/925108555.db2.gz LJAWPEWTOVVZCP-WDEREUQCSA-N 1 1 311.386 -1.099 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H]1CCCOC1 ZINC001403667789 925108631 /nfs/dbraw/zinc/10/86/31/925108631.db2.gz WIIYNFXLYNOHHA-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001403673044 925109944 /nfs/dbraw/zinc/10/99/44/925109944.db2.gz GIECGBNUYQHTDN-NWDGAFQWSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001403674525 925110420 /nfs/dbraw/zinc/11/04/20/925110420.db2.gz PPSRDVRXYKVCSK-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001403673220 925110546 /nfs/dbraw/zinc/11/05/46/925110546.db2.gz UQHVBXINZPLNDA-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001403674833 925113033 /nfs/dbraw/zinc/11/30/33/925113033.db2.gz ORHRFDSRMDCRCT-NSHDSACASA-N 1 1 324.385 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001403678968 925114092 /nfs/dbraw/zinc/11/40/92/925114092.db2.gz BZRLAKPFWJVSSD-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001403678968 925114097 /nfs/dbraw/zinc/11/40/97/925114097.db2.gz BZRLAKPFWJVSSD-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H]1COCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403682325 925114429 /nfs/dbraw/zinc/11/44/29/925114429.db2.gz HFFROOYUDSNZQC-VHSXEESVSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@H]1COCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403682325 925114434 /nfs/dbraw/zinc/11/44/34/925114434.db2.gz HFFROOYUDSNZQC-VHSXEESVSA-N 1 1 300.359 -1.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001403688374 925116408 /nfs/dbraw/zinc/11/64/08/925116408.db2.gz XIMRKDHJCUBRFE-MNOVXSKESA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001403688374 925116413 /nfs/dbraw/zinc/11/64/13/925116413.db2.gz XIMRKDHJCUBRFE-MNOVXSKESA-N 1 1 323.401 -1.192 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)nn1C ZINC001403696528 925119191 /nfs/dbraw/zinc/11/91/91/925119191.db2.gz ATIJLDQPYMEXLW-NSHDSACASA-N 1 1 320.353 -1.308 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001403705957 925121980 /nfs/dbraw/zinc/12/19/80/925121980.db2.gz SLXCBQXRHMEVAJ-MXWKQRLJSA-N 1 1 323.353 -1.827 20 0 DAADMO CCN1CC[C@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001403705651 925122132 /nfs/dbraw/zinc/12/21/32/925122132.db2.gz UEFMTURIZRYWKY-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001403705694 925122703 /nfs/dbraw/zinc/12/27/03/925122703.db2.gz ORTGVMRTHAZHGK-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001403705694 925122710 /nfs/dbraw/zinc/12/27/10/925122710.db2.gz ORTGVMRTHAZHGK-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO Cn1nccc1CC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403705584 925122886 /nfs/dbraw/zinc/12/28/86/925122886.db2.gz OCBACUDUDNMLKN-NSHDSACASA-N 1 1 322.369 -1.391 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403705835 925123014 /nfs/dbraw/zinc/12/30/14/925123014.db2.gz KPYNQQJGJQYXHY-SECBINFHSA-N 1 1 307.310 -1.053 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001403714058 925126602 /nfs/dbraw/zinc/12/66/02/925126602.db2.gz VNWWAGZOBISVLD-NSHDSACASA-N 1 1 300.403 -1.517 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403711466 925126938 /nfs/dbraw/zinc/12/69/38/925126938.db2.gz YJSPKTDSTCQNNG-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403711466 925126942 /nfs/dbraw/zinc/12/69/42/925126942.db2.gz YJSPKTDSTCQNNG-BDAKNGLRSA-N 1 1 313.358 -1.891 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001403716542 925127084 /nfs/dbraw/zinc/12/70/84/925127084.db2.gz XRPUQWSWNZLELI-PSASIEDQSA-N 1 1 313.383 -1.274 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001403711977 925127213 /nfs/dbraw/zinc/12/72/13/925127213.db2.gz CKBFSBCOIYOIOO-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1cc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001403721978 925129264 /nfs/dbraw/zinc/12/92/64/925129264.db2.gz HEKTWEPHCVLRRF-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723892 925130067 /nfs/dbraw/zinc/13/00/67/925130067.db2.gz JNIKZLCYUBDKOI-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723892 925130078 /nfs/dbraw/zinc/13/00/78/925130078.db2.gz JNIKZLCYUBDKOI-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO CN1CCC[C@@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001403724339 925130692 /nfs/dbraw/zinc/13/06/92/925130692.db2.gz MCJCETDXLBIRDT-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723894 925131094 /nfs/dbraw/zinc/13/10/94/925131094.db2.gz JNIKZLCYUBDKOI-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723894 925131100 /nfs/dbraw/zinc/13/11/00/925131100.db2.gz JNIKZLCYUBDKOI-ZJUUUORDSA-N 1 1 315.374 -2.410 20 0 DAADMO CN1CCC[C@@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001403725483 925131115 /nfs/dbraw/zinc/13/11/15/925131115.db2.gz MCJCETDXLBIRDT-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CN1CCC[C@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001403724341 925131427 /nfs/dbraw/zinc/13/14/27/925131427.db2.gz MCJCETDXLBIRDT-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001403741214 925135501 /nfs/dbraw/zinc/13/55/01/925135501.db2.gz ILWWZUXBQDXETC-GFCCVEGCSA-N 1 1 313.402 -1.826 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751503 925136703 /nfs/dbraw/zinc/13/67/03/925136703.db2.gz QVYOAYUVSPTTMM-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751503 925136708 /nfs/dbraw/zinc/13/67/08/925136708.db2.gz QVYOAYUVSPTTMM-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(=O)NC1CC1 ZINC001403763297 925138334 /nfs/dbraw/zinc/13/83/34/925138334.db2.gz JGTAWUICTFPISM-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(=O)NC1CC1 ZINC001403763297 925138338 /nfs/dbraw/zinc/13/83/38/925138338.db2.gz JGTAWUICTFPISM-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001403764225 925139166 /nfs/dbraw/zinc/13/91/66/925139166.db2.gz YDLHFLOAIBYITL-DTWKUNHWSA-N 1 1 311.346 -1.355 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(=O)[nH]c1)CCNS(C)(=O)=O ZINC001403760051 925139279 /nfs/dbraw/zinc/13/92/79/925139279.db2.gz KNMZZBMHHKMLLX-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]c1)CCNS(C)(=O)=O ZINC001403760051 925139283 /nfs/dbraw/zinc/13/92/83/925139283.db2.gz KNMZZBMHHKMLLX-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCNC(N)=O ZINC001403760010 925139393 /nfs/dbraw/zinc/13/93/93/925139393.db2.gz UOEHFZKWVOYVRE-GXSJLCMTSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@@H]12 ZINC001403779355 925140536 /nfs/dbraw/zinc/14/05/36/925140536.db2.gz IVQAQIBTBVSHRN-IMSIIYSGSA-N 1 1 311.386 -1.098 20 0 DAADMO C[N@H+](CCNC(=O)CCCn1cccn1)CC(=O)NC(N)=O ZINC001403770538 925140820 /nfs/dbraw/zinc/14/08/20/925140820.db2.gz CQGZBHPSXUVBIH-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO C[N@@H+](CCNC(=O)CCCn1cccn1)CC(=O)NC(N)=O ZINC001403770538 925140824 /nfs/dbraw/zinc/14/08/24/925140824.db2.gz CQGZBHPSXUVBIH-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO Cc1nc[nH]c1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001403798000 925143246 /nfs/dbraw/zinc/14/32/46/925143246.db2.gz MTUZEEZRRWRPSV-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO Cc1nc[nH]c1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001403798000 925143251 /nfs/dbraw/zinc/14/32/51/925143251.db2.gz MTUZEEZRRWRPSV-UHFFFAOYSA-N 1 1 303.388 -1.071 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCO1)CCNS(C)(=O)=O ZINC001403817549 925144998 /nfs/dbraw/zinc/14/49/98/925144998.db2.gz NJIRVFYVWUGSMW-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CCNS(C)(=O)=O ZINC001403817549 925145003 /nfs/dbraw/zinc/14/50/03/925145003.db2.gz NJIRVFYVWUGSMW-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc2ccn[nH]2)C1=O ZINC001403822154 925145844 /nfs/dbraw/zinc/14/58/44/925145844.db2.gz FQKWXRONGBNHFE-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)co1 ZINC001403828895 925146832 /nfs/dbraw/zinc/14/68/32/925146832.db2.gz NFDRPVLRRVJVQL-KWQFWETISA-N 1 1 313.358 -1.051 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403829195 925146919 /nfs/dbraw/zinc/14/69/19/925146919.db2.gz KRJUWYBSOAWHJS-NXEZZACHSA-N 1 1 300.363 -1.599 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001403831162 925148208 /nfs/dbraw/zinc/14/82/08/925148208.db2.gz LRRRTNWODOLDPI-PSASIEDQSA-N 1 1 313.362 -2.184 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001403832740 925148348 /nfs/dbraw/zinc/14/83/48/925148348.db2.gz UZLGWUBGUXNJCL-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CN1CCCC1=O ZINC001403836326 925150336 /nfs/dbraw/zinc/15/03/36/925150336.db2.gz UCSHNWQDABEXTL-GFCCVEGCSA-N 1 1 324.385 -1.654 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)N(C)C ZINC001403845976 925152344 /nfs/dbraw/zinc/15/23/44/925152344.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)N(C)C ZINC001403845976 925152347 /nfs/dbraw/zinc/15/23/47/925152347.db2.gz RDDKTLSCHVBTFN-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ccn(C)n1 ZINC001403849508 925154038 /nfs/dbraw/zinc/15/40/38/925154038.db2.gz WZPXQEMTHXQJNU-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)CNC(=O)NC)C1=O ZINC001403851576 925154150 /nfs/dbraw/zinc/15/41/50/925154150.db2.gz LPZCFGRNRVSFJA-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)C[C@@H](C)O ZINC001403854054 925154345 /nfs/dbraw/zinc/15/43/45/925154345.db2.gz VAUIFGRAUQMADL-LLVKDONJSA-N 1 1 312.370 -1.634 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001403858336 925154993 /nfs/dbraw/zinc/15/49/93/925154993.db2.gz IFRMZCRJLXODGT-VHSXEESVSA-N 1 1 312.374 -1.765 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001403856231 925155216 /nfs/dbraw/zinc/15/52/16/925155216.db2.gz DKXHVGUUULOMOT-NXEZZACHSA-N 1 1 310.358 -1.634 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)C[C@@H]1CCc2ncnn21 ZINC001403855882 925155651 /nfs/dbraw/zinc/15/56/51/925155651.db2.gz YNAYIAOZQGWJHK-NSHDSACASA-N 1 1 319.373 -1.110 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1)c1nncn1C ZINC001403856687 925156273 /nfs/dbraw/zinc/15/62/73/925156273.db2.gz RTKDEBJSBVIZSK-BDAKNGLRSA-N 1 1 308.346 -1.283 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001403860790 925157890 /nfs/dbraw/zinc/15/78/90/925157890.db2.gz PHLJNTCLWKTBGB-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nc[nH]n2)nn1 ZINC001403866432 925158054 /nfs/dbraw/zinc/15/80/54/925158054.db2.gz JDTSIWCRZMICHF-SNVBAGLBSA-N 1 1 308.346 -1.361 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nc[nH]n2)nn1 ZINC001403866426 925158202 /nfs/dbraw/zinc/15/82/02/925158202.db2.gz JDTSIWCRZMICHF-JTQLQIEISA-N 1 1 308.346 -1.361 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001403868520 925158225 /nfs/dbraw/zinc/15/82/25/925158225.db2.gz XLVXECCSCMCBMK-BDAKNGLRSA-N 1 1 323.361 -1.580 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001403868044 925158708 /nfs/dbraw/zinc/15/87/08/925158708.db2.gz KNADYODFOBZEAR-SNVBAGLBSA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ncccn1 ZINC001403862000 925158821 /nfs/dbraw/zinc/15/88/21/925158821.db2.gz CNZXWVACCCFKCG-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)C[C@H](O)COC ZINC001403866741 925158897 /nfs/dbraw/zinc/15/88/97/925158897.db2.gz NHOYJVSACCHYQJ-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001403868396 925158945 /nfs/dbraw/zinc/15/89/45/925158945.db2.gz JBWRNLMGIAACCK-HZMBPMFUSA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2cnnn2)o1 ZINC001403873951 925159569 /nfs/dbraw/zinc/15/95/69/925159569.db2.gz PWHKNXNSZRPHLZ-LLVKDONJSA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnc[nH]1 ZINC001403870687 925159871 /nfs/dbraw/zinc/15/98/71/925159871.db2.gz HUAVDDQOKYWZTA-GFCCVEGCSA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnc[nH]1 ZINC001403870693 925160295 /nfs/dbraw/zinc/16/02/95/925160295.db2.gz HUAVDDQOKYWZTA-LBPRGKRZSA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)nc1 ZINC001403881277 925162280 /nfs/dbraw/zinc/16/22/80/925162280.db2.gz TVEBANJCRZSSGK-WDEREUQCSA-N 1 1 322.369 -1.625 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2C)[nH]1 ZINC001403881926 925162856 /nfs/dbraw/zinc/16/28/56/925162856.db2.gz UPAVPBJVHXFIEQ-GHMZBOCLSA-N 1 1 324.385 -1.357 20 0 DAADMO CN(C[C@H](O)CN(C)[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001403891257 925163733 /nfs/dbraw/zinc/16/37/33/925163733.db2.gz BVBXGMDQQDTCGQ-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001403887851 925163972 /nfs/dbraw/zinc/16/39/72/925163972.db2.gz NVPOFGDLZPGLRM-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403884327 925164226 /nfs/dbraw/zinc/16/42/26/925164226.db2.gz DADZORJKDSXNFV-NWDGAFQWSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001403887424 925165113 /nfs/dbraw/zinc/16/51/13/925165113.db2.gz BLXSRQWEWQVWNQ-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001403889713 925165270 /nfs/dbraw/zinc/16/52/70/925165270.db2.gz FETWESQJLWBQMP-LLVKDONJSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001403889713 925165274 /nfs/dbraw/zinc/16/52/74/925165274.db2.gz FETWESQJLWBQMP-LLVKDONJSA-N 1 1 322.427 -1.303 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001403891743 925165316 /nfs/dbraw/zinc/16/53/16/925165316.db2.gz GRZXAATYYYYOQU-RKDXNWHRSA-N 1 1 304.347 -2.033 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001403891743 925165321 /nfs/dbraw/zinc/16/53/21/925165321.db2.gz GRZXAATYYYYOQU-RKDXNWHRSA-N 1 1 304.347 -2.033 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001403885682 925165512 /nfs/dbraw/zinc/16/55/12/925165512.db2.gz HENXBBYPZYWUJZ-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001403885682 925165515 /nfs/dbraw/zinc/16/55/15/925165515.db2.gz HENXBBYPZYWUJZ-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001403898859 925166070 /nfs/dbraw/zinc/16/60/70/925166070.db2.gz LACVABRPRSMTFL-LBPRGKRZSA-N 1 1 316.402 -1.201 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403898535 925166362 /nfs/dbraw/zinc/16/63/62/925166362.db2.gz FGHGHFYBEHOALT-WDEREUQCSA-N 1 1 315.374 -1.813 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001403897407 925166460 /nfs/dbraw/zinc/16/64/60/925166460.db2.gz DIOWEHQJXLNJDL-WCQYABFASA-N 1 1 323.397 -1.100 20 0 DAADMO COc1cccnc1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001403900048 925166597 /nfs/dbraw/zinc/16/65/97/925166597.db2.gz BUCYYNGNGLENAL-LLVKDONJSA-N 1 1 324.381 -1.131 20 0 DAADMO COc1cccnc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001403900048 925166606 /nfs/dbraw/zinc/16/66/06/925166606.db2.gz BUCYYNGNGLENAL-LLVKDONJSA-N 1 1 324.381 -1.131 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1nnc[nH]1 ZINC001403892725 925166835 /nfs/dbraw/zinc/16/68/35/925166835.db2.gz IYICEZGHJMXZGE-GHMZBOCLSA-N 1 1 324.385 -1.671 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893837 925167512 /nfs/dbraw/zinc/16/75/12/925167512.db2.gz VSOWLUWTOOTMON-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893837 925167517 /nfs/dbraw/zinc/16/75/17/925167517.db2.gz VSOWLUWTOOTMON-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1c2c(nn1C)CCC2 ZINC001403893419 925167572 /nfs/dbraw/zinc/16/75/72/925167572.db2.gz AHIBBGXNPXJILM-JTQLQIEISA-N 1 1 323.397 -1.241 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1c2c(nn1C)CCC2 ZINC001403893419 925167578 /nfs/dbraw/zinc/16/75/78/925167578.db2.gz AHIBBGXNPXJILM-JTQLQIEISA-N 1 1 323.397 -1.241 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001403899466 925167721 /nfs/dbraw/zinc/16/77/21/925167721.db2.gz NHGSYDLWVYKMKL-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001403899466 925167725 /nfs/dbraw/zinc/16/77/25/925167725.db2.gz NHGSYDLWVYKMKL-GFCCVEGCSA-N 1 1 323.397 -1.002 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403898525 925168177 /nfs/dbraw/zinc/16/81/77/925168177.db2.gz FGHGHFYBEHOALT-GHMZBOCLSA-N 1 1 315.374 -1.813 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893881 925168296 /nfs/dbraw/zinc/16/82/96/925168296.db2.gz VSOWLUWTOOTMON-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893881 925168302 /nfs/dbraw/zinc/16/83/02/925168302.db2.gz VSOWLUWTOOTMON-VXGBXAGGSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cnn(C)n1 ZINC001403900747 925169745 /nfs/dbraw/zinc/16/97/45/925169745.db2.gz HAFAXRTZSKMZCE-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cnn(C)n1 ZINC001403900747 925169748 /nfs/dbraw/zinc/16/97/48/925169748.db2.gz HAFAXRTZSKMZCE-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1coc(OC)n1 ZINC001403906647 925169864 /nfs/dbraw/zinc/16/98/64/925169864.db2.gz VBLBBUYDWHPYBO-VIFPVBQESA-N 1 1 314.342 -1.206 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1coc(OC)n1 ZINC001403906647 925169868 /nfs/dbraw/zinc/16/98/68/925169868.db2.gz VBLBBUYDWHPYBO-VIFPVBQESA-N 1 1 314.342 -1.206 20 0 DAADMO CN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001403904704 925170262 /nfs/dbraw/zinc/17/02/62/925170262.db2.gz WTNANCQEJWWQGZ-LLVKDONJSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001403904704 925170269 /nfs/dbraw/zinc/17/02/69/925170269.db2.gz WTNANCQEJWWQGZ-LLVKDONJSA-N 1 1 314.386 -1.909 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001403907056 925170855 /nfs/dbraw/zinc/17/08/55/925170855.db2.gz XRKPUQTVUMQXOF-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403907680 925170898 /nfs/dbraw/zinc/17/08/98/925170898.db2.gz XLZBCUYCIQEVQQ-SNVBAGLBSA-N 1 1 313.362 -2.488 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403907680 925170906 /nfs/dbraw/zinc/17/09/06/925170906.db2.gz XLZBCUYCIQEVQQ-SNVBAGLBSA-N 1 1 313.362 -2.488 20 0 DAADMO CC[N@H+](CCNC(=O)c1c(C)c[nH]c1CC(N)=O)CC(N)=O ZINC001403903327 925170964 /nfs/dbraw/zinc/17/09/64/925170964.db2.gz FCMIUWDTRUBTCO-UHFFFAOYSA-N 1 1 309.370 -1.112 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c(C)c[nH]c1CC(N)=O)CC(N)=O ZINC001403903327 925170972 /nfs/dbraw/zinc/17/09/72/925170972.db2.gz FCMIUWDTRUBTCO-UHFFFAOYSA-N 1 1 309.370 -1.112 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001403906349 925171038 /nfs/dbraw/zinc/17/10/38/925171038.db2.gz MOEFOBJAJJUGOU-WDEREUQCSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001403906349 925171044 /nfs/dbraw/zinc/17/10/44/925171044.db2.gz MOEFOBJAJJUGOU-WDEREUQCSA-N 1 1 311.386 -1.114 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1nn(C)cc1Cl ZINC001403903849 925171187 /nfs/dbraw/zinc/17/11/87/925171187.db2.gz VXTLPFYXFZZUBU-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1nn(C)cc1Cl ZINC001403903849 925171193 /nfs/dbraw/zinc/17/11/93/925171193.db2.gz VXTLPFYXFZZUBU-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905082 925171408 /nfs/dbraw/zinc/17/14/08/925171408.db2.gz DWAZZKBFHBKHHY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905082 925171414 /nfs/dbraw/zinc/17/14/14/925171414.db2.gz DWAZZKBFHBKHHY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001403900864 925171461 /nfs/dbraw/zinc/17/14/61/925171461.db2.gz HDVXPSWVWDKFAH-CHWSQXEVSA-N 1 1 315.414 -1.012 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001403919429 925172083 /nfs/dbraw/zinc/17/20/83/925172083.db2.gz SOGYLUXNDRROBY-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923434 925172113 /nfs/dbraw/zinc/17/21/13/925172113.db2.gz ZTXHWBRULYAIIU-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403923434 925172121 /nfs/dbraw/zinc/17/21/21/925172121.db2.gz ZTXHWBRULYAIIU-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001403912239 925172161 /nfs/dbraw/zinc/17/21/61/925172161.db2.gz ZWRMPQFDVQNXQQ-NWDGAFQWSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001403912239 925172167 /nfs/dbraw/zinc/17/21/67/925172167.db2.gz ZWRMPQFDVQNXQQ-NWDGAFQWSA-N 1 1 322.427 -1.445 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001403911826 925172558 /nfs/dbraw/zinc/17/25/58/925172558.db2.gz QNCBBRNOCNTNJR-IUCAKERBSA-N 1 1 313.358 -1.338 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001403911826 925172565 /nfs/dbraw/zinc/17/25/65/925172565.db2.gz QNCBBRNOCNTNJR-IUCAKERBSA-N 1 1 313.358 -1.338 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CNC(=O)C(C)(C)C ZINC001403922139 925173331 /nfs/dbraw/zinc/17/33/31/925173331.db2.gz WTNBLDZPJSFXDT-JTQLQIEISA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CNC(=O)C(C)(C)C ZINC001403922139 925173335 /nfs/dbraw/zinc/17/33/35/925173335.db2.gz WTNBLDZPJSFXDT-JTQLQIEISA-N 1 1 316.402 -1.615 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)S(C)(=O)=O ZINC001403916229 925173510 /nfs/dbraw/zinc/17/35/10/925173510.db2.gz WMDFNIWXIHTFPS-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)S(C)(=O)=O ZINC001403916229 925173512 /nfs/dbraw/zinc/17/35/12/925173512.db2.gz WMDFNIWXIHTFPS-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403913018 925173569 /nfs/dbraw/zinc/17/35/69/925173569.db2.gz DIHKZJUFZQQIEO-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)C(N)=O ZINC001403912438 925173690 /nfs/dbraw/zinc/17/36/90/925173690.db2.gz KYAXHZPBDSMCPP-LPEHRKFASA-N 1 1 300.359 -1.669 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)C(N)=O ZINC001403912438 925173701 /nfs/dbraw/zinc/17/37/01/925173701.db2.gz KYAXHZPBDSMCPP-LPEHRKFASA-N 1 1 300.359 -1.669 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403913028 925173750 /nfs/dbraw/zinc/17/37/50/925173750.db2.gz DIHKZJUFZQQIEO-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cnon1 ZINC001403920885 925174086 /nfs/dbraw/zinc/17/40/86/925174086.db2.gz WDWAFDOIRLEKOW-SNVBAGLBSA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cnon1 ZINC001403920885 925174093 /nfs/dbraw/zinc/17/40/93/925174093.db2.gz WDWAFDOIRLEKOW-SNVBAGLBSA-N 1 1 311.342 -1.287 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)[nH]n1 ZINC001403914329 925174104 /nfs/dbraw/zinc/17/41/04/925174104.db2.gz UBQYRUOLLIHSQR-SECBINFHSA-N 1 1 313.358 -1.342 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)[nH]n1 ZINC001403914329 925174110 /nfs/dbraw/zinc/17/41/10/925174110.db2.gz UBQYRUOLLIHSQR-SECBINFHSA-N 1 1 313.358 -1.342 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC(=O)NC ZINC001403941677 925175023 /nfs/dbraw/zinc/17/50/23/925175023.db2.gz FTXNSSUGIJAQEA-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CC(=O)NC(=O)NC ZINC001403941677 925175030 /nfs/dbraw/zinc/17/50/30/925175030.db2.gz FTXNSSUGIJAQEA-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001403976640 925175214 /nfs/dbraw/zinc/17/52/14/925175214.db2.gz LHOKFMBECANIMO-GARJFASQSA-N 1 1 302.375 -1.369 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001403971150 925175932 /nfs/dbraw/zinc/17/59/32/925175932.db2.gz QDPMTBALRAPQFD-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C[C@@H](C)O ZINC001403962857 925176020 /nfs/dbraw/zinc/17/60/20/925176020.db2.gz JJGUNHSCVVUOQA-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001403971141 925176441 /nfs/dbraw/zinc/17/64/41/925176441.db2.gz QDPMTBALRAPQFD-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001403991919 925177489 /nfs/dbraw/zinc/17/74/89/925177489.db2.gz VQIKFDZPFXANMG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001403991919 925177494 /nfs/dbraw/zinc/17/74/94/925177494.db2.gz VQIKFDZPFXANMG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](CCOC)[C@@H]1CCNC1=O ZINC001403979748 925177583 /nfs/dbraw/zinc/17/75/83/925177583.db2.gz UCPKKALTSVOJKN-SNVBAGLBSA-N 1 1 315.374 -2.132 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](CCOC)[C@@H]1CCNC1=O ZINC001403979748 925177588 /nfs/dbraw/zinc/17/75/88/925177588.db2.gz UCPKKALTSVOJKN-SNVBAGLBSA-N 1 1 315.374 -2.132 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001404005219 925177977 /nfs/dbraw/zinc/17/79/77/925177977.db2.gz PUVHYCUKRYAYEA-UHFFFAOYSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002496 925178145 /nfs/dbraw/zinc/17/81/45/925178145.db2.gz QRARXDZKYAMNNV-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002496 925178150 /nfs/dbraw/zinc/17/81/50/925178150.db2.gz QRARXDZKYAMNNV-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001403992941 925178624 /nfs/dbraw/zinc/17/86/24/925178624.db2.gz XMRUOUOUVRFKNF-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001403984391 925178855 /nfs/dbraw/zinc/17/88/55/925178855.db2.gz KTDAWCXROPFMIO-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001403984391 925178861 /nfs/dbraw/zinc/17/88/61/925178861.db2.gz KTDAWCXROPFMIO-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001404044738 925179468 /nfs/dbraw/zinc/17/94/68/925179468.db2.gz SYTLRCQNCZEMJL-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001404068190 925179778 /nfs/dbraw/zinc/17/97/78/925179778.db2.gz PJRRURNDGDWEJK-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001404057124 925179830 /nfs/dbraw/zinc/17/98/30/925179830.db2.gz KZEXBGJZXHALSB-SNVBAGLBSA-N 1 1 308.404 -2.139 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001404058082 925180454 /nfs/dbraw/zinc/18/04/54/925180454.db2.gz FIILFJWUIBBCBB-LLVKDONJSA-N 1 1 307.358 -1.657 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001404055796 925180567 /nfs/dbraw/zinc/18/05/67/925180567.db2.gz CIERAMOWHPXPOP-QWRGUYRKSA-N 1 1 307.416 -1.303 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404057229 925180826 /nfs/dbraw/zinc/18/08/26/925180826.db2.gz FLEQZGVZCNNWQY-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001404103435 925181630 /nfs/dbraw/zinc/18/16/30/925181630.db2.gz KBJGBJDPNAGTTM-IUCAKERBSA-N 1 1 306.388 -2.153 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@@H]1CCN(C)C1=O ZINC001404124133 925182201 /nfs/dbraw/zinc/18/22/01/925182201.db2.gz JNRFNFXQGPYTRL-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001404079569 925182420 /nfs/dbraw/zinc/18/24/20/925182420.db2.gz QSDKLLABVPSRSW-GFCCVEGCSA-N 1 1 314.386 -1.941 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001404071325 925183196 /nfs/dbraw/zinc/18/31/96/925183196.db2.gz QMRBHCVTNKTTBY-QWRGUYRKSA-N 1 1 310.354 -1.171 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001404074321 925183231 /nfs/dbraw/zinc/18/32/31/925183231.db2.gz ZLLKMFMLABBXOY-GFCCVEGCSA-N 1 1 319.427 -1.158 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001404178743 925183908 /nfs/dbraw/zinc/18/39/08/925183908.db2.gz CVKCWAWFWIYYQF-BDAKNGLRSA-N 1 1 323.357 -1.550 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)C(N)=O ZINC001404157216 925184616 /nfs/dbraw/zinc/18/46/16/925184616.db2.gz KVWZNSAUCSRSHG-GARJFASQSA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001404178814 925185253 /nfs/dbraw/zinc/18/52/53/925185253.db2.gz CVKCWAWFWIYYQF-RKDXNWHRSA-N 1 1 323.357 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001404231509 925185992 /nfs/dbraw/zinc/18/59/92/925185992.db2.gz WJLULCKYAAOORV-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001404231509 925185999 /nfs/dbraw/zinc/18/59/99/925185999.db2.gz WJLULCKYAAOORV-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001404217120 925186143 /nfs/dbraw/zinc/18/61/43/925186143.db2.gz GOCKQXAQQGYADN-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001404217120 925186152 /nfs/dbraw/zinc/18/61/52/925186152.db2.gz GOCKQXAQQGYADN-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001404234887 925186794 /nfs/dbraw/zinc/18/67/94/925186794.db2.gz YBAGACAGPDMBOM-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001404234887 925186802 /nfs/dbraw/zinc/18/68/02/925186802.db2.gz YBAGACAGPDMBOM-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO CC(C)NC(=O)C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001404259403 925187213 /nfs/dbraw/zinc/18/72/13/925187213.db2.gz FCBRSXWFMKWLTP-LLVKDONJSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001404259403 925187217 /nfs/dbraw/zinc/18/72/17/925187217.db2.gz FCBRSXWFMKWLTP-LLVKDONJSA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001404281616 925188838 /nfs/dbraw/zinc/18/88/38/925188838.db2.gz CVOJAJNILJITEI-GFCCVEGCSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1ccn[nH]1 ZINC001404337829 925191311 /nfs/dbraw/zinc/19/13/11/925191311.db2.gz LYCLDZPEQMGYSA-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001404322492 925191990 /nfs/dbraw/zinc/19/19/90/925191990.db2.gz JKQAJAWILCRKHU-MRVPVSSYSA-N 1 1 318.403 -1.229 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327834 925192318 /nfs/dbraw/zinc/19/23/18/925192318.db2.gz PMXIFXKNRSNBDB-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327834 925192322 /nfs/dbraw/zinc/19/23/22/925192322.db2.gz PMXIFXKNRSNBDB-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001404330886 925192656 /nfs/dbraw/zinc/19/26/56/925192656.db2.gz WDIHZMVQILUNOP-VIFPVBQESA-N 1 1 320.357 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001404359606 925193552 /nfs/dbraw/zinc/19/35/52/925193552.db2.gz QFFBQKLHZUUBQN-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCNC(=O)NC)C1 ZINC001404479382 925198230 /nfs/dbraw/zinc/19/82/30/925198230.db2.gz MJTUMCJCOUSBHB-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)CCNC(=O)NC)C1 ZINC001404479384 925199016 /nfs/dbraw/zinc/19/90/16/925199016.db2.gz MJTUMCJCOUSBHB-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ncn[n-]2)C1 ZINC001404513040 925200865 /nfs/dbraw/zinc/20/08/65/925200865.db2.gz LJXMOPXDHITOIM-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001404513040 925200872 /nfs/dbraw/zinc/20/08/72/925200872.db2.gz LJXMOPXDHITOIM-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001404513040 925200881 /nfs/dbraw/zinc/20/08/81/925200881.db2.gz LJXMOPXDHITOIM-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO CC(=O)NC1(CCO)CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001404497968 925201116 /nfs/dbraw/zinc/20/11/16/925201116.db2.gz SJXTXZDBGGSBBO-ZDUSSCGKSA-N 1 1 323.397 -1.087 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404506955 925201151 /nfs/dbraw/zinc/20/11/51/925201151.db2.gz OODFOIPESOBDEQ-NWDGAFQWSA-N 1 1 312.374 -1.491 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001404511285 925201190 /nfs/dbraw/zinc/20/11/90/925201190.db2.gz RPDMZRFUGVWDIE-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001404527384 925202247 /nfs/dbraw/zinc/20/22/47/925202247.db2.gz UQQFCKNAYRYOQD-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO CC[C@@H](C(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001404535523 925202337 /nfs/dbraw/zinc/20/23/37/925202337.db2.gz QFVNGIBMUNEQCO-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001404525357 925202371 /nfs/dbraw/zinc/20/23/71/925202371.db2.gz OELASWNCUHZGDF-QWRGUYRKSA-N 1 1 322.431 -1.751 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2cnon2)C1 ZINC001404544850 925204484 /nfs/dbraw/zinc/20/44/84/925204484.db2.gz PKGXDQHWWNLSQT-LLVKDONJSA-N 1 1 323.353 -1.143 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001404616885 925206131 /nfs/dbraw/zinc/20/61/31/925206131.db2.gz PAFYWAGELRWULC-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001404604763 925206868 /nfs/dbraw/zinc/20/68/68/925206868.db2.gz QGRYQSHOWLXERN-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)CCOC)C1 ZINC001404581378 925207468 /nfs/dbraw/zinc/20/74/68/925207468.db2.gz BTCNPCCPEABOOF-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001404707582 925209538 /nfs/dbraw/zinc/20/95/38/925209538.db2.gz FNOMQGMZJWSIHI-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001404668356 925209793 /nfs/dbraw/zinc/20/97/93/925209793.db2.gz AKXBZTQGXQLGTA-OUAUKWLOSA-N 1 1 300.359 -1.744 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001404673948 925210659 /nfs/dbraw/zinc/21/06/59/925210659.db2.gz VDJOEYDQDWJVGH-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001404712084 925211852 /nfs/dbraw/zinc/21/18/52/925211852.db2.gz JOJPKSMEEUEWIK-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001404712172 925211973 /nfs/dbraw/zinc/21/19/73/925211973.db2.gz MLGQSUCJNZABHF-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001404818157 925216763 /nfs/dbraw/zinc/21/67/63/925216763.db2.gz FYDYFDLAEGFPLR-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001404830433 925218314 /nfs/dbraw/zinc/21/83/14/925218314.db2.gz XJIULSWEJLXEDO-LLVKDONJSA-N 1 1 318.443 -1.322 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CCn3cncn3)C2)C1=O ZINC001404847603 925221392 /nfs/dbraw/zinc/22/13/92/925221392.db2.gz BNHKMKJDCKXONT-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001404878208 925222923 /nfs/dbraw/zinc/22/29/23/925222923.db2.gz ZKBSUZLWFJQXRU-SECBINFHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001404893835 925223085 /nfs/dbraw/zinc/22/30/85/925223085.db2.gz USEWGPSXGIDMLF-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001404890546 925223789 /nfs/dbraw/zinc/22/37/89/925223789.db2.gz HPIJSIBGXAYYII-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001404933473 925224578 /nfs/dbraw/zinc/22/45/78/925224578.db2.gz LGLHNEWIZMZGGY-VIFPVBQESA-N 1 1 320.415 -1.940 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN([C@@H]2CCNC2=O)C1 ZINC001404910287 925225382 /nfs/dbraw/zinc/22/53/82/925225382.db2.gz LHGFCYRDMZEQMC-CYBMUJFWSA-N 1 1 310.398 -1.355 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(CC(=O)NC(=O)NC)C1 ZINC001404916439 925225871 /nfs/dbraw/zinc/22/58/71/925225871.db2.gz AFARVBPGQZRDGC-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001404963101 925226688 /nfs/dbraw/zinc/22/66/88/925226688.db2.gz YWABIFUHRCKZIA-AVGNSLFASA-N 1 1 309.370 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1CC1 ZINC001404955773 925227562 /nfs/dbraw/zinc/22/75/62/925227562.db2.gz OPBKIGSQMSJFJK-RWMBFGLXSA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001404983570 925229389 /nfs/dbraw/zinc/22/93/89/925229389.db2.gz BZADLYQUUOIJMP-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001404983570 925229401 /nfs/dbraw/zinc/22/94/01/925229401.db2.gz BZADLYQUUOIJMP-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404974996 925229462 /nfs/dbraw/zinc/22/94/62/925229462.db2.gz YQERIDSSRWUTBV-YFKTTZPYSA-N 1 1 312.370 -1.698 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001404977579 925229765 /nfs/dbraw/zinc/22/97/65/925229765.db2.gz AYWJVVWWJSVKJL-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404997884 925230861 /nfs/dbraw/zinc/23/08/61/925230861.db2.gz QHVNCZIMDRGABT-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404995407 925230994 /nfs/dbraw/zinc/23/09/94/925230994.db2.gz NCTWMILWLNGJME-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001405013836 925232407 /nfs/dbraw/zinc/23/24/07/925232407.db2.gz CAGXTTFJDWALDR-UWVGGRQHSA-N 1 1 308.404 -1.734 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001405052863 925234453 /nfs/dbraw/zinc/23/44/53/925234453.db2.gz HTDYEENIDCAONC-GHMZBOCLSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001405052863 925234457 /nfs/dbraw/zinc/23/44/57/925234457.db2.gz HTDYEENIDCAONC-GHMZBOCLSA-N 1 1 310.354 -1.189 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001405044170 925234582 /nfs/dbraw/zinc/23/45/82/925234582.db2.gz JRLVHKKRDDUYHD-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001405047121 925235180 /nfs/dbraw/zinc/23/51/80/925235180.db2.gz PGLXMPJSEPQEHP-NEPJUHHUSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001405044745 925235442 /nfs/dbraw/zinc/23/54/42/925235442.db2.gz DNSWUSLDARYOFQ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001405041424 925235792 /nfs/dbraw/zinc/23/57/92/925235792.db2.gz SSJLAFFLDNHBRH-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001405083796 925236913 /nfs/dbraw/zinc/23/69/13/925236913.db2.gz NPGVJRARTDUVKH-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001405083796 925236923 /nfs/dbraw/zinc/23/69/23/925236923.db2.gz NPGVJRARTDUVKH-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001405065915 925237055 /nfs/dbraw/zinc/23/70/55/925237055.db2.gz GXRWJBDEDFPOFU-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001405085012 925237432 /nfs/dbraw/zinc/23/74/32/925237432.db2.gz TZPJRGXGNVELLE-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001405117076 925238388 /nfs/dbraw/zinc/23/83/88/925238388.db2.gz LVBLJXSKRHSAFH-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405107813 925238530 /nfs/dbraw/zinc/23/85/30/925238530.db2.gz APURUWLOVOAHFE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405107813 925238539 /nfs/dbraw/zinc/23/85/39/925238539.db2.gz APURUWLOVOAHFE-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001405111146 925239416 /nfs/dbraw/zinc/23/94/16/925239416.db2.gz FYJMTFYKMLCXJM-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001405111146 925239424 /nfs/dbraw/zinc/23/94/24/925239424.db2.gz FYJMTFYKMLCXJM-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122970 925241428 /nfs/dbraw/zinc/24/14/28/925241428.db2.gz KWOJRHAMGIPBIY-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122970 925241434 /nfs/dbraw/zinc/24/14/34/925241434.db2.gz KWOJRHAMGIPBIY-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001405127390 925241935 /nfs/dbraw/zinc/24/19/35/925241935.db2.gz PHBDWKYJOATEJU-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001405174045 925242873 /nfs/dbraw/zinc/24/28/73/925242873.db2.gz JRKJSVOSNSWQJM-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001405174045 925242880 /nfs/dbraw/zinc/24/28/80/925242880.db2.gz JRKJSVOSNSWQJM-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001405168842 925242948 /nfs/dbraw/zinc/24/29/48/925242948.db2.gz HHVDEKPLVYXUQK-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001405168842 925242960 /nfs/dbraw/zinc/24/29/60/925242960.db2.gz HHVDEKPLVYXUQK-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001405153789 925243123 /nfs/dbraw/zinc/24/31/23/925243123.db2.gz WNNBBYSSELMRJK-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405168547 925243383 /nfs/dbraw/zinc/24/33/83/925243383.db2.gz LDZRHYFPQSIWSY-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405168547 925243387 /nfs/dbraw/zinc/24/33/87/925243387.db2.gz LDZRHYFPQSIWSY-VXGBXAGGSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405168451 925243677 /nfs/dbraw/zinc/24/36/77/925243677.db2.gz LDZRHYFPQSIWSY-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405168451 925243686 /nfs/dbraw/zinc/24/36/86/925243686.db2.gz LDZRHYFPQSIWSY-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001405153786 925244379 /nfs/dbraw/zinc/24/43/79/925244379.db2.gz WNNBBYSSELMRJK-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001405187936 925245723 /nfs/dbraw/zinc/24/57/23/925245723.db2.gz ACHCDIJVASEEFJ-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001405206087 925250172 /nfs/dbraw/zinc/25/01/72/925250172.db2.gz BCZRERFXHWSAOO-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001405224906 925255681 /nfs/dbraw/zinc/25/56/81/925255681.db2.gz MBSSAJAHUCWIMO-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405224228 925256241 /nfs/dbraw/zinc/25/62/41/925256241.db2.gz LBMXKBYODDUTNK-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2nccnc2N)C1 ZINC001405225765 925257356 /nfs/dbraw/zinc/25/73/56/925257356.db2.gz BRRDIZOUKZHOPC-NXEZZACHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240950 925265274 /nfs/dbraw/zinc/26/52/74/925265274.db2.gz NUFDIHHPCNSFAK-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240950 925265282 /nfs/dbraw/zinc/26/52/82/925265282.db2.gz NUFDIHHPCNSFAK-RYUDHWBXSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnns1 ZINC001405242270 925265733 /nfs/dbraw/zinc/26/57/33/925265733.db2.gz ZIHTXVGATDQKIM-BDAKNGLRSA-N 1 1 313.383 -1.161 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)CCc1cnc[nH]1 ZINC001405245222 925266545 /nfs/dbraw/zinc/26/65/45/925266545.db2.gz AEIKNMNNBAYKIE-JTQLQIEISA-N 1 1 321.341 -1.622 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001405249200 925268752 /nfs/dbraw/zinc/26/87/52/925268752.db2.gz FHEPUJUJRJJXNU-GHMZBOCLSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001405249203 925268798 /nfs/dbraw/zinc/26/87/98/925268798.db2.gz FHEPUJUJRJJXNU-MNOVXSKESA-N 1 1 324.385 -1.401 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001405254628 925269737 /nfs/dbraw/zinc/26/97/37/925269737.db2.gz PROAFKFMUXIHTH-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001405254473 925269982 /nfs/dbraw/zinc/26/99/82/925269982.db2.gz VYPVBCCKFCJVBV-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001405254617 925270091 /nfs/dbraw/zinc/27/00/91/925270091.db2.gz PROAFKFMUXIHTH-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001405257081 925271221 /nfs/dbraw/zinc/27/12/21/925271221.db2.gz KWYZLYRIDRUDDH-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001405257072 925271937 /nfs/dbraw/zinc/27/19/37/925271937.db2.gz KWYZLYRIDRUDDH-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001405271201 925274693 /nfs/dbraw/zinc/27/46/93/925274693.db2.gz BLFZAWZAFPSTKZ-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405279235 925276854 /nfs/dbraw/zinc/27/68/54/925276854.db2.gz FPKBDVOWOVQTNA-RYUDHWBXSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001405282104 925277815 /nfs/dbraw/zinc/27/78/15/925277815.db2.gz JTXFXWJESXYALJ-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO Cn1nccc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405285558 925277888 /nfs/dbraw/zinc/27/78/88/925277888.db2.gz OOKORKSWZOSLFQ-RYUDHWBXSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001405284179 925278331 /nfs/dbraw/zinc/27/83/31/925278331.db2.gz NCVJDFGIDHSOOL-RKDXNWHRSA-N 1 1 301.347 -2.800 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001405288480 925279276 /nfs/dbraw/zinc/27/92/76/925279276.db2.gz KCANDXNGPYUNKZ-SCZZXKLOSA-N 1 1 322.373 -1.326 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O ZINC001405289196 925279734 /nfs/dbraw/zinc/27/97/34/925279734.db2.gz UKVRRBIXRBTPLP-NSHDSACASA-N 1 1 312.370 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405297033 925281760 /nfs/dbraw/zinc/28/17/60/925281760.db2.gz AFIHAAMJLHOADP-NMKXLXIOSA-N 1 1 313.398 -1.188 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001405294637 925281809 /nfs/dbraw/zinc/28/18/09/925281809.db2.gz UOPRGZMVPMXUBY-ADEWGFFLSA-N 1 1 309.370 -1.043 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001405294641 925281982 /nfs/dbraw/zinc/28/19/82/925281982.db2.gz UOPRGZMVPMXUBY-YUSALJHKSA-N 1 1 309.370 -1.043 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001405301370 925283721 /nfs/dbraw/zinc/28/37/21/925283721.db2.gz JQCJTIGNPQJCHW-OUAUKWLOSA-N 1 1 324.385 -1.168 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001405304859 925283757 /nfs/dbraw/zinc/28/37/57/925283757.db2.gz LCJJSQXGSYDYRH-ZJUUUORDSA-N 1 1 316.358 -1.972 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001405322522 925287008 /nfs/dbraw/zinc/28/70/08/925287008.db2.gz JMUZYCCUKOOPRL-VIFPVBQESA-N 1 1 318.403 -1.206 20 0 DAADMO CC[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001405322522 925287016 /nfs/dbraw/zinc/28/70/16/925287016.db2.gz JMUZYCCUKOOPRL-VIFPVBQESA-N 1 1 318.403 -1.206 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001405318461 925287403 /nfs/dbraw/zinc/28/74/03/925287403.db2.gz CDBJBCNQBQOLPM-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001405317418 925287452 /nfs/dbraw/zinc/28/74/52/925287452.db2.gz JSAVKXBSQKJLMW-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1ncnn1 ZINC001405323263 925288869 /nfs/dbraw/zinc/28/88/69/925288869.db2.gz GNTCOKUGCAPGTM-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001405346181 925293188 /nfs/dbraw/zinc/29/31/88/925293188.db2.gz LBFHYNJSDFDKPX-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001405346181 925293194 /nfs/dbraw/zinc/29/31/94/925293194.db2.gz LBFHYNJSDFDKPX-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCn2ccnc2)C1 ZINC001405344220 925294239 /nfs/dbraw/zinc/29/42/39/925294239.db2.gz MIPUYRLCWNLVFU-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405352750 925294842 /nfs/dbraw/zinc/29/48/42/925294842.db2.gz VOLPCSXXQGMHDW-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405352799 925295538 /nfs/dbraw/zinc/29/55/38/925295538.db2.gz VOLPCSXXQGMHDW-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]n2)C1 ZINC001405352427 925295768 /nfs/dbraw/zinc/29/57/68/925295768.db2.gz ZZIFYIGBFPUEQB-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352427 925295773 /nfs/dbraw/zinc/29/57/73/925295773.db2.gz ZZIFYIGBFPUEQB-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)C1 ZINC001405352427 925295778 /nfs/dbraw/zinc/29/57/78/925295778.db2.gz ZZIFYIGBFPUEQB-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001405375940 925301456 /nfs/dbraw/zinc/30/14/56/925301456.db2.gz NEQKVYDHNXRXKX-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376170 925301891 /nfs/dbraw/zinc/30/18/91/925301891.db2.gz PDJVXRJDCGDGLG-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376170 925301898 /nfs/dbraw/zinc/30/18/98/925301898.db2.gz PDJVXRJDCGDGLG-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001405380484 925303401 /nfs/dbraw/zinc/30/34/01/925303401.db2.gz GAZLJYCWKARBHV-UWVGGRQHSA-N 1 1 323.353 -2.072 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1[nH]nnc1C ZINC001405387449 925304403 /nfs/dbraw/zinc/30/44/03/925304403.db2.gz GHSFRGGXXKSQBS-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001405386637 925304504 /nfs/dbraw/zinc/30/45/04/925304504.db2.gz HGRPTJXBRDZEBZ-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001405392884 925305343 /nfs/dbraw/zinc/30/53/43/925305343.db2.gz JKOXYQUZSDFMKP-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC001405392781 925306638 /nfs/dbraw/zinc/30/66/38/925306638.db2.gz NBNXTQSRVRYQSD-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001405409936 925308504 /nfs/dbraw/zinc/30/85/04/925308504.db2.gz QCYDSQMMXVRTMK-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409936 925308513 /nfs/dbraw/zinc/30/85/13/925308513.db2.gz QCYDSQMMXVRTMK-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409936 925308522 /nfs/dbraw/zinc/30/85/22/925308522.db2.gz QCYDSQMMXVRTMK-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)Cn1cncn1)C1CC1 ZINC001405478934 925311973 /nfs/dbraw/zinc/31/19/73/925311973.db2.gz UHCNCCNIJBTVSR-CYBMUJFWSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405593179 925318254 /nfs/dbraw/zinc/31/82/54/925318254.db2.gz RSVQOXLYHQEOIB-ONGXEEELSA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405596850 925320238 /nfs/dbraw/zinc/32/02/38/925320238.db2.gz HWPGKERCZKYPLE-MNOVXSKESA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405596843 925320253 /nfs/dbraw/zinc/32/02/53/925320253.db2.gz HWPGKERCZKYPLE-GHMZBOCLSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405605886 925322192 /nfs/dbraw/zinc/32/21/92/925322192.db2.gz SVQUMVZVDOZMGT-QWRGUYRKSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405605879 925322407 /nfs/dbraw/zinc/32/24/07/925322407.db2.gz SVQUMVZVDOZMGT-GHMZBOCLSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(F)F)C(=O)CC[NH+]1CCOCC1 ZINC001405618418 925322907 /nfs/dbraw/zinc/32/29/07/925322907.db2.gz XNRHMFZZYCNPAF-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnon1 ZINC001405644753 925325888 /nfs/dbraw/zinc/32/58/88/925325888.db2.gz MBYQEOZHZFMGJO-ZJUUUORDSA-N 1 1 311.342 -1.430 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)CC[NH+](C)C ZINC001405650137 925327630 /nfs/dbraw/zinc/32/76/30/925327630.db2.gz OTGIDASPQIHWIW-SNVBAGLBSA-N 1 1 312.374 -1.766 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001405656234 925328350 /nfs/dbraw/zinc/32/83/50/925328350.db2.gz WDBWPMWGRVKPII-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CS(C)(=O)=O ZINC001405797977 925335656 /nfs/dbraw/zinc/33/56/56/925335656.db2.gz VIMLYOFHPMJQJS-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCOCC2=O)[nH]1 ZINC001405818497 925338002 /nfs/dbraw/zinc/33/80/02/925338002.db2.gz BGYNDXXLQRQQGY-SNVBAGLBSA-N 1 1 324.385 -1.092 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001405879377 925339558 /nfs/dbraw/zinc/33/95/58/925339558.db2.gz XUCRJKUHRZDUEG-CBAPKCEASA-N 1 1 310.314 -1.396 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001406018278 925341858 /nfs/dbraw/zinc/34/18/58/925341858.db2.gz JXDMPMREOZMZDI-DTWKUNHWSA-N 1 1 312.378 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001406083205 925343308 /nfs/dbraw/zinc/34/33/08/925343308.db2.gz JPBMAMGDJIHPTL-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001406083205 925343317 /nfs/dbraw/zinc/34/33/17/925343317.db2.gz JPBMAMGDJIHPTL-RYUDHWBXSA-N 1 1 300.403 -1.158 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001406094403 925344320 /nfs/dbraw/zinc/34/43/20/925344320.db2.gz FVURQPUAHPVFSG-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001406094403 925344331 /nfs/dbraw/zinc/34/43/31/925344331.db2.gz FVURQPUAHPVFSG-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CC(C)(C)O ZINC001406098934 925344352 /nfs/dbraw/zinc/34/43/52/925344352.db2.gz UWYZSKGXOHXXKD-UHFFFAOYSA-N 1 1 302.375 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC(C)(C)O ZINC001406098934 925344363 /nfs/dbraw/zinc/34/43/63/925344363.db2.gz UWYZSKGXOHXXKD-UHFFFAOYSA-N 1 1 302.375 -1.007 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001406101415 925344462 /nfs/dbraw/zinc/34/44/62/925344462.db2.gz WSFSSOPWNVTDJN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001406101415 925344468 /nfs/dbraw/zinc/34/44/68/925344468.db2.gz WSFSSOPWNVTDJN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001406097604 925345218 /nfs/dbraw/zinc/34/52/18/925345218.db2.gz PUIJYHKDNKKGHZ-SFYZADRCSA-N 1 1 315.330 -1.932 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001406097604 925345229 /nfs/dbraw/zinc/34/52/29/925345229.db2.gz PUIJYHKDNKKGHZ-SFYZADRCSA-N 1 1 315.330 -1.932 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)Cn1ncnn1 ZINC001406102265 925346087 /nfs/dbraw/zinc/34/60/87/925346087.db2.gz MWUIIQSGLYNUCP-GFCCVEGCSA-N 1 1 322.373 -1.679 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001406119034 925346122 /nfs/dbraw/zinc/34/61/22/925346122.db2.gz BLLHSLAZOFRJAE-OQEOFVATSA-N 1 1 324.381 -1.005 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001406119034 925346128 /nfs/dbraw/zinc/34/61/28/925346128.db2.gz BLLHSLAZOFRJAE-OQEOFVATSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406121713 925346449 /nfs/dbraw/zinc/34/64/49/925346449.db2.gz GQDMYCPXWIRHAU-QWRGUYRKSA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406121713 925346457 /nfs/dbraw/zinc/34/64/57/925346457.db2.gz GQDMYCPXWIRHAU-QWRGUYRKSA-N 1 1 313.402 -1.123 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001406120199 925346515 /nfs/dbraw/zinc/34/65/15/925346515.db2.gz DCGBWFLLALBLBG-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001406120199 925346524 /nfs/dbraw/zinc/34/65/24/925346524.db2.gz DCGBWFLLALBLBG-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406098839 925346789 /nfs/dbraw/zinc/34/67/89/925346789.db2.gz BDBJFGCNNIUSQT-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001406098839 925346803 /nfs/dbraw/zinc/34/68/03/925346803.db2.gz BDBJFGCNNIUSQT-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001406129363 925347322 /nfs/dbraw/zinc/34/73/22/925347322.db2.gz WWLWQIUYAGOSGZ-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001406129363 925347331 /nfs/dbraw/zinc/34/73/31/925347331.db2.gz WWLWQIUYAGOSGZ-JTQLQIEISA-N 1 1 309.374 -1.165 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406177936 925347489 /nfs/dbraw/zinc/34/74/89/925347489.db2.gz CKFICKMOFJFGEF-VIFPVBQESA-N 1 1 311.371 -1.144 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001406133590 925347594 /nfs/dbraw/zinc/34/75/94/925347594.db2.gz UYRBDZKVROEYFF-SNVBAGLBSA-N 1 1 312.374 -1.917 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406168083 925347690 /nfs/dbraw/zinc/34/76/90/925347690.db2.gz LIVQRWKLPIZDER-UHFFFAOYSA-N 1 1 311.386 -1.184 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001406168083 925347700 /nfs/dbraw/zinc/34/77/00/925347700.db2.gz LIVQRWKLPIZDER-UHFFFAOYSA-N 1 1 311.386 -1.184 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001406147665 925348010 /nfs/dbraw/zinc/34/80/10/925348010.db2.gz PKBGMVGFFZRMQA-SECBINFHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001406147665 925348019 /nfs/dbraw/zinc/34/80/19/925348019.db2.gz PKBGMVGFFZRMQA-SECBINFHSA-N 1 1 322.431 -1.422 20 0 DAADMO CN(CC[N@@H+](C)CC1CC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001406122881 925348287 /nfs/dbraw/zinc/34/82/87/925348287.db2.gz KBWINLTZFANNEB-NSHDSACASA-N 1 1 317.411 -1.300 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@H]1CCOC1 ZINC001406131509 925349253 /nfs/dbraw/zinc/34/92/53/925349253.db2.gz WGJVHEIWGOAELD-LLVKDONJSA-N 1 1 322.431 -1.533 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001406184707 925349933 /nfs/dbraw/zinc/34/99/33/925349933.db2.gz CVTFPRVLLZOMJQ-PWSUYJOCSA-N 1 1 309.370 -1.124 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n2cncn2)[nH]1 ZINC001406199838 925352150 /nfs/dbraw/zinc/35/21/50/925352150.db2.gz AKXNIAOIMJMPIC-SCZZXKLOSA-N 1 1 308.346 -1.467 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)n1cccn1 ZINC001406202169 925352690 /nfs/dbraw/zinc/35/26/90/925352690.db2.gz DRFLXTXGUKZDCZ-QWRGUYRKSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)n1cccn1 ZINC001406202184 925353463 /nfs/dbraw/zinc/35/34/63/925353463.db2.gz DRFLXTXGUKZDCZ-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)nn1 ZINC001406203319 925354385 /nfs/dbraw/zinc/35/43/85/925354385.db2.gz CKYFEPYMWQJSPH-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CO[C@H]2CCOC2)nn1 ZINC001406208374 925354405 /nfs/dbraw/zinc/35/44/05/925354405.db2.gz GBXWLDTYPGSXDD-RYUDHWBXSA-N 1 1 313.358 -1.813 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)nn1 ZINC001406203330 925354458 /nfs/dbraw/zinc/35/44/58/925354458.db2.gz CKYFEPYMWQJSPH-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CO[C@@H]2CCOC2)nn1 ZINC001406208365 925355345 /nfs/dbraw/zinc/35/53/45/925355345.db2.gz GBXWLDTYPGSXDD-NWDGAFQWSA-N 1 1 313.358 -1.813 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1)c1nncn1C ZINC001406208888 925355504 /nfs/dbraw/zinc/35/55/04/925355504.db2.gz IZPLMHFBTGKXMR-MWLCHTKSSA-N 1 1 324.385 -1.531 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)cs1 ZINC001406210692 925356963 /nfs/dbraw/zinc/35/69/63/925356963.db2.gz IKQDJMYBQFSSFZ-SNVBAGLBSA-N 1 1 311.371 -1.295 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001406210164 925357004 /nfs/dbraw/zinc/35/70/04/925357004.db2.gz JENRUXGMHTTYGL-JTQLQIEISA-N 1 1 315.399 -1.563 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc(C)o2)nn1 ZINC001406210066 925357283 /nfs/dbraw/zinc/35/72/83/925357283.db2.gz CVTUQIYYBGNCHM-NSHDSACASA-N 1 1 323.357 -1.201 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001406214761 925357806 /nfs/dbraw/zinc/35/78/06/925357806.db2.gz PWDTYIYMZWLCFD-MNOVXSKESA-N 1 1 312.374 -1.407 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001406219853 925358525 /nfs/dbraw/zinc/35/85/25/925358525.db2.gz VCFUSXNNENIAAY-VHSXEESVSA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cnn1 ZINC001406218797 925359118 /nfs/dbraw/zinc/35/91/18/925359118.db2.gz QSSDCFFJHGIYKC-GFCCVEGCSA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001406218137 925359165 /nfs/dbraw/zinc/35/91/65/925359165.db2.gz PXEOPJNFMFOGBD-YUMQZZPRSA-N 1 1 320.375 -2.618 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001406219543 925359315 /nfs/dbraw/zinc/35/93/15/925359315.db2.gz RSCYXTYDFKWXDZ-LBPRGKRZSA-N 1 1 312.374 -2.286 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001406217904 925359473 /nfs/dbraw/zinc/35/94/73/925359473.db2.gz PXEOPJNFMFOGBD-HTQZYQBOSA-N 1 1 320.375 -2.618 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cnn1 ZINC001406218809 925359561 /nfs/dbraw/zinc/35/95/61/925359561.db2.gz QSSDCFFJHGIYKC-LBPRGKRZSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001406219836 925360173 /nfs/dbraw/zinc/36/01/73/925360173.db2.gz VCFUSXNNENIAAY-UWVGGRQHSA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001406221554 925361353 /nfs/dbraw/zinc/36/13/53/925361353.db2.gz SXIDSPIABZRSHU-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1noc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001406223412 925362879 /nfs/dbraw/zinc/36/28/79/925362879.db2.gz YNHZGFRDDGIARO-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001406223412 925362887 /nfs/dbraw/zinc/36/28/87/925362887.db2.gz YNHZGFRDDGIARO-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001406225440 925363184 /nfs/dbraw/zinc/36/31/84/925363184.db2.gz ADWCNRMLSHHUFB-UWVGGRQHSA-N 1 1 313.358 -1.141 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cnc[nH]1)C(=O)N(C)C ZINC001406229505 925366070 /nfs/dbraw/zinc/36/60/70/925366070.db2.gz BJYVTRPYKYIIPT-ZYHUDNBSSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nncn2C)[nH]1 ZINC001406228654 925366381 /nfs/dbraw/zinc/36/63/81/925366381.db2.gz YVKIWRDYYZELEK-SCZZXKLOSA-N 1 1 322.373 -1.388 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2CC)n1 ZINC001406229015 925366685 /nfs/dbraw/zinc/36/66/85/925366685.db2.gz VJPOAHUWXMOQGL-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001406235669 925368503 /nfs/dbraw/zinc/36/85/03/925368503.db2.gz CQWOFGDDRAKEFT-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001406245341 925372685 /nfs/dbraw/zinc/37/26/85/925372685.db2.gz QNMBUIHGNGOSES-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@H]1CCCC(=O)N1 ZINC001406246431 925373554 /nfs/dbraw/zinc/37/35/54/925373554.db2.gz NDYQFGKLVGVEQQ-DTWKUNHWSA-N 1 1 313.383 -1.227 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406244300 925374036 /nfs/dbraw/zinc/37/40/36/925374036.db2.gz DDERIMLMIJOMGW-MNOVXSKESA-N 1 1 307.354 -1.336 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnc3n2CCC3)n1 ZINC001406247121 925374131 /nfs/dbraw/zinc/37/41/31/925374131.db2.gz PXJBIGKPZOOFNG-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)no1 ZINC001406251478 925377228 /nfs/dbraw/zinc/37/72/28/925377228.db2.gz GOTCHIREZQCSQB-WDEREUQCSA-N 1 1 311.342 -1.427 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406252742 925378326 /nfs/dbraw/zinc/37/83/26/925378326.db2.gz LWYYLZOTAURUJE-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001406254657 925378706 /nfs/dbraw/zinc/37/87/06/925378706.db2.gz KLUBKPBVOCTGDS-NWDGAFQWSA-N 1 1 300.403 -1.328 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406253266 925379320 /nfs/dbraw/zinc/37/93/20/925379320.db2.gz JSUBECGMGDCSQE-WCBMZHEXSA-N 1 1 312.330 -2.032 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001406258157 925382309 /nfs/dbraw/zinc/38/23/09/925382309.db2.gz RAOSUMUWDKJZJH-SRRSOLGSSA-N 1 1 324.385 -1.408 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001406257752 925382585 /nfs/dbraw/zinc/38/25/85/925382585.db2.gz RPIRGDXWSGLRAM-UWVGGRQHSA-N 1 1 310.358 -1.997 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406263040 925383344 /nfs/dbraw/zinc/38/33/44/925383344.db2.gz RNIQMGCVZUTRNH-VXGBXAGGSA-N 1 1 312.374 -1.704 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001406259449 925384525 /nfs/dbraw/zinc/38/45/25/925384525.db2.gz ITJUJBFLAUMXLT-DTWKUNHWSA-N 1 1 313.383 -1.274 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2nnn(C)n2)C1 ZINC001406264652 925385371 /nfs/dbraw/zinc/38/53/71/925385371.db2.gz GNHQLLBECGWCTE-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC001406267552 925385856 /nfs/dbraw/zinc/38/58/56/925385856.db2.gz IPXAKYLFVGEOQC-GHMZBOCLSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2nnn(C)n2)C1 ZINC001406264658 925386029 /nfs/dbraw/zinc/38/60/29/925386029.db2.gz GNHQLLBECGWCTE-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1conc1C1CC1 ZINC001406272088 925387783 /nfs/dbraw/zinc/38/77/83/925387783.db2.gz POAHDBBFMAIJMO-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001406270266 925387831 /nfs/dbraw/zinc/38/78/31/925387831.db2.gz HDISFUAECJWBQI-SNVBAGLBSA-N 1 1 312.374 -1.704 20 0 DAADMO COc1cccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406270422 925388743 /nfs/dbraw/zinc/38/87/43/925388743.db2.gz BPAXJBUXTPTZLV-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1O ZINC001406271549 925388984 /nfs/dbraw/zinc/38/89/84/925388984.db2.gz HKRKNOMEKQXDJG-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O ZINC001406271549 925388994 /nfs/dbraw/zinc/38/89/94/925388994.db2.gz HKRKNOMEKQXDJG-VXGBXAGGSA-N 1 1 324.385 -1.623 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nc[nH]n2)nn1 ZINC001406274718 925389741 /nfs/dbraw/zinc/38/97/41/925389741.db2.gz DXJXGGCQQOATIL-LLVKDONJSA-N 1 1 322.373 -1.214 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001406277808 925390804 /nfs/dbraw/zinc/39/08/04/925390804.db2.gz YGQDYTSQQXLHQC-UWVGGRQHSA-N 1 1 308.342 -1.967 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001406277801 925391044 /nfs/dbraw/zinc/39/10/44/925391044.db2.gz YGQDYTSQQXLHQC-NXEZZACHSA-N 1 1 308.342 -1.967 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001406277946 925391080 /nfs/dbraw/zinc/39/10/80/925391080.db2.gz GTYHIZRNXJKKQL-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001406282342 925391413 /nfs/dbraw/zinc/39/14/13/925391413.db2.gz YHOCTNDVYWLYEX-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1)c1cnccn1 ZINC001406281495 925392660 /nfs/dbraw/zinc/39/26/60/925392660.db2.gz JLNKENOVNQNIFL-UWVGGRQHSA-N 1 1 305.342 -1.035 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406286640 925393944 /nfs/dbraw/zinc/39/39/44/925393944.db2.gz RJYIUIVKPUEGMK-WDEREUQCSA-N 1 1 311.342 -1.353 20 0 DAADMO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001406284444 925394579 /nfs/dbraw/zinc/39/45/79/925394579.db2.gz UJYKZSRMOFGJON-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001406284444 925394592 /nfs/dbraw/zinc/39/45/92/925394592.db2.gz UJYKZSRMOFGJON-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001406284437 925394762 /nfs/dbraw/zinc/39/47/62/925394762.db2.gz UJYKZSRMOFGJON-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001406284437 925394774 /nfs/dbraw/zinc/39/47/74/925394774.db2.gz UJYKZSRMOFGJON-IUCAKERBSA-N 1 1 319.387 -1.834 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cccnn1 ZINC001406287237 925394923 /nfs/dbraw/zinc/39/49/23/925394923.db2.gz NSEMQECUTWBLCQ-SNVBAGLBSA-N 1 1 323.332 -1.082 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(C)cc2=O)[nH]1 ZINC001406286711 925395357 /nfs/dbraw/zinc/39/53/57/925395357.db2.gz OZZFZAXMNJEMKZ-SNVBAGLBSA-N 1 1 320.353 -1.010 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406294167 925399149 /nfs/dbraw/zinc/39/91/49/925399149.db2.gz UBEIHSKBHBSYFA-JTQLQIEISA-N 1 1 306.330 -1.880 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001406295749 925399603 /nfs/dbraw/zinc/39/96/03/925399603.db2.gz WOCMOXXLMAEKDK-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001406293972 925399859 /nfs/dbraw/zinc/39/98/59/925399859.db2.gz SBKBOMXPGJJUCA-KOLCDFICSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CNC(=O)C1CC1 ZINC001406338324 925403693 /nfs/dbraw/zinc/40/36/93/925403693.db2.gz MMPZPIJEZWSYTM-RKDXNWHRSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1CS(=O)(=O)C1 ZINC001406367322 925404771 /nfs/dbraw/zinc/40/47/71/925404771.db2.gz OAUYWVMNERPJPR-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cnc2n1CCOC2 ZINC001406363443 925405034 /nfs/dbraw/zinc/40/50/34/925405034.db2.gz IQHBEWQRQSNSAU-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406375655 925406345 /nfs/dbraw/zinc/40/63/45/925406345.db2.gz FZORBHUSRFPGQH-NXEZZACHSA-N 1 1 324.389 -1.299 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001406379835 925408568 /nfs/dbraw/zinc/40/85/68/925408568.db2.gz KCGAKGKOYMHAIQ-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406391442 925411617 /nfs/dbraw/zinc/41/16/17/925411617.db2.gz WQTDYPHZUVZKIK-ZJUUUORDSA-N 1 1 309.374 -1.036 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@@H]1O ZINC001406394968 925411872 /nfs/dbraw/zinc/41/18/72/925411872.db2.gz HKRKNOMEKQXDJG-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O ZINC001406394968 925411877 /nfs/dbraw/zinc/41/18/77/925411877.db2.gz HKRKNOMEKQXDJG-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001406405913 925412880 /nfs/dbraw/zinc/41/28/80/925412880.db2.gz JLDRGZMJVACIFW-ZJUUUORDSA-N 1 1 320.353 -1.023 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2cn(C)nn2)c(=O)n1C ZINC001406421615 925414862 /nfs/dbraw/zinc/41/48/62/925414862.db2.gz KTOTWHRIKPXSPO-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001406421403 925415064 /nfs/dbraw/zinc/41/50/64/925415064.db2.gz JVPXCYTYZDXATM-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC001406413251 925415108 /nfs/dbraw/zinc/41/51/08/925415108.db2.gz NGKZODFANUPEAI-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001406473629 925416617 /nfs/dbraw/zinc/41/66/17/925416617.db2.gz KJFNUPAASVWRSC-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[NH2+]CC(=O)N2CCOCC2)n[nH]1 ZINC001406464633 925416929 /nfs/dbraw/zinc/41/69/29/925416929.db2.gz GVQNCZBLCYREQN-JTQLQIEISA-N 1 1 324.385 -1.391 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001406483373 925418066 /nfs/dbraw/zinc/41/80/66/925418066.db2.gz QRGATQWOCCMMPF-ZETCQYMHSA-N 1 1 301.372 -1.248 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCCNC1=O ZINC001406489929 925418505 /nfs/dbraw/zinc/41/85/05/925418505.db2.gz DLVBOHOQNVBUCY-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)CC1=O ZINC001406476563 925418995 /nfs/dbraw/zinc/41/89/95/925418995.db2.gz YHZVKANZIQQCDA-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001406510369 925420695 /nfs/dbraw/zinc/42/06/95/925420695.db2.gz AKSNICPJXRXLNG-QMMMGPOBSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCNC(=O)C1 ZINC001406522060 925420949 /nfs/dbraw/zinc/42/09/49/925420949.db2.gz WXWSDHUWNTVMCG-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@@H](C[NH2+]Cc1ccon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001406533603 925420994 /nfs/dbraw/zinc/42/09/94/925420994.db2.gz FHXUUSOIXVUDDK-VIFPVBQESA-N 1 1 321.337 -1.020 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001406558826 925422883 /nfs/dbraw/zinc/42/28/83/925422883.db2.gz NALNZLBDKWHIQR-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001406616453 925423749 /nfs/dbraw/zinc/42/37/49/925423749.db2.gz QEAIINXDMQHYGE-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnn1 ZINC001406616453 925423759 /nfs/dbraw/zinc/42/37/59/925423759.db2.gz QEAIINXDMQHYGE-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001406597171 925423795 /nfs/dbraw/zinc/42/37/95/925423795.db2.gz CJWYYJMTEWCNNA-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001406597171 925423799 /nfs/dbraw/zinc/42/37/99/925423799.db2.gz CJWYYJMTEWCNNA-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001406601772 925424758 /nfs/dbraw/zinc/42/47/58/925424758.db2.gz CFIIBGFYLNDZTR-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001406601772 925424762 /nfs/dbraw/zinc/42/47/62/925424762.db2.gz CFIIBGFYLNDZTR-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC1CC1 ZINC001406607681 925424994 /nfs/dbraw/zinc/42/49/94/925424994.db2.gz LPSIBDLNXSXMHV-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC1CC1 ZINC001406607681 925425000 /nfs/dbraw/zinc/42/50/00/925425000.db2.gz LPSIBDLNXSXMHV-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001406651285 925425932 /nfs/dbraw/zinc/42/59/32/925425932.db2.gz SCNUQNQSKDVPDX-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001406651285 925425939 /nfs/dbraw/zinc/42/59/39/925425939.db2.gz SCNUQNQSKDVPDX-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CN1CCNC(=O)C1 ZINC001406652773 925426184 /nfs/dbraw/zinc/42/61/84/925426184.db2.gz UPDINBLQMSFOKH-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001406634871 925426561 /nfs/dbraw/zinc/42/65/61/925426561.db2.gz YYVBMMFXBLMPRV-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001406634871 925426564 /nfs/dbraw/zinc/42/65/64/925426564.db2.gz YYVBMMFXBLMPRV-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001406631405 925426571 /nfs/dbraw/zinc/42/65/71/925426571.db2.gz VPVMBPJBSKTTHP-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001406631405 925426574 /nfs/dbraw/zinc/42/65/74/925426574.db2.gz VPVMBPJBSKTTHP-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001406642366 925426760 /nfs/dbraw/zinc/42/67/60/925426760.db2.gz ORYMDAVFIZCUMH-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001406642366 925426768 /nfs/dbraw/zinc/42/67/68/925426768.db2.gz ORYMDAVFIZCUMH-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406633405 925427061 /nfs/dbraw/zinc/42/70/61/925427061.db2.gz CBQBGVRZKIRRPC-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)Cn1ncn(C)c1=O ZINC001406631775 925427103 /nfs/dbraw/zinc/42/71/03/925427103.db2.gz AUHYFBXSTXDZKS-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)Cn1ncn(C)c1=O ZINC001406631775 925427112 /nfs/dbraw/zinc/42/71/12/925427112.db2.gz AUHYFBXSTXDZKS-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641706 925427352 /nfs/dbraw/zinc/42/73/52/925427352.db2.gz NKTIVTSDCUTDKU-RKDXNWHRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641706 925427357 /nfs/dbraw/zinc/42/73/57/925427357.db2.gz NKTIVTSDCUTDKU-RKDXNWHRSA-N 1 1 311.342 -1.741 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001406710327 925427945 /nfs/dbraw/zinc/42/79/45/925427945.db2.gz WQCBOFFAWDYKGT-UTLUCORTSA-N 1 1 316.358 -1.972 20 0 DAADMO C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406693607 925428102 /nfs/dbraw/zinc/42/81/02/925428102.db2.gz MQUBUBXULULJJO-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406681950 925428527 /nfs/dbraw/zinc/42/85/27/925428527.db2.gz UVCDXMLNAWINNN-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001406770886 925431069 /nfs/dbraw/zinc/43/10/69/925431069.db2.gz GKWPWYSAZQLEAZ-WDEREUQCSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cc(C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)nn1 ZINC001406759022 925431894 /nfs/dbraw/zinc/43/18/94/925431894.db2.gz KEFGIOXFWBSPMA-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)c2nnn(C)n2)C2CC2)nn1 ZINC001406792418 925432220 /nfs/dbraw/zinc/43/22/20/925432220.db2.gz GRQZUMOBHLICQB-JTQLQIEISA-N 1 1 305.346 -1.363 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001406806722 925432876 /nfs/dbraw/zinc/43/28/76/925432876.db2.gz HENWZAXORYZEKX-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001406818835 925433138 /nfs/dbraw/zinc/43/31/38/925433138.db2.gz XNCKUDMSBAJVHV-NEPJUHHUSA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001406794501 925433585 /nfs/dbraw/zinc/43/35/85/925433585.db2.gz JLVDBOUBDDNBIO-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001406794496 925433636 /nfs/dbraw/zinc/43/36/36/925433636.db2.gz JLVDBOUBDDNBIO-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001406818847 925433766 /nfs/dbraw/zinc/43/37/66/925433766.db2.gz XNCKUDMSBAJVHV-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001406848929 925436967 /nfs/dbraw/zinc/43/69/67/925436967.db2.gz QOUYJBWYJXCCJQ-CYBMUJFWSA-N 1 1 320.397 -1.495 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001406848929 925436972 /nfs/dbraw/zinc/43/69/72/925436972.db2.gz QOUYJBWYJXCCJQ-CYBMUJFWSA-N 1 1 320.397 -1.495 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001406846987 925437186 /nfs/dbraw/zinc/43/71/86/925437186.db2.gz IEXHQHUJWQMACU-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001406898056 925440914 /nfs/dbraw/zinc/44/09/14/925440914.db2.gz RSLKCKXDSNUCGQ-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](O)COC ZINC001406900292 925441237 /nfs/dbraw/zinc/44/12/37/925441237.db2.gz JTTURXDMYJUKOO-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)COC ZINC001406900292 925441244 /nfs/dbraw/zinc/44/12/44/925441244.db2.gz JTTURXDMYJUKOO-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C3=COCCO3)CC2)nc1=O ZINC001406901295 925441268 /nfs/dbraw/zinc/44/12/68/925441268.db2.gz GLOSJCRVHXPGHX-UHFFFAOYSA-N 1 1 309.326 -1.265 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CN3CCCC3=O)CC2)nc1=O ZINC001406913178 925443694 /nfs/dbraw/zinc/44/36/94/925443694.db2.gz YYQHOGJABOMALU-UHFFFAOYSA-N 1 1 322.369 -1.531 20 0 DAADMO Cn1nnc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001406957751 925445297 /nfs/dbraw/zinc/44/52/97/925445297.db2.gz JQYFYSRYPZBNIL-UHFFFAOYSA-N 1 1 307.318 -2.316 20 0 DAADMO C[C@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O ZINC001406992855 925446664 /nfs/dbraw/zinc/44/66/64/925446664.db2.gz YLERIYRCYSLCBH-JTQLQIEISA-N 1 1 323.397 -1.096 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001407031735 925446704 /nfs/dbraw/zinc/44/67/04/925446704.db2.gz OFZUOBZSIIDOPG-HZMBPMFUSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NCC2CC2)C1 ZINC001407058494 925449832 /nfs/dbraw/zinc/44/98/32/925449832.db2.gz KXSHWAVYCFLQSP-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NCC2CC2)C1 ZINC001407058494 925449835 /nfs/dbraw/zinc/44/98/35/925449835.db2.gz KXSHWAVYCFLQSP-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(CC(=O)NC(=O)NC)C1 ZINC001407089882 925450956 /nfs/dbraw/zinc/45/09/56/925450956.db2.gz YMCNMQUFHKFNAX-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1)C(N)=O ZINC001407073549 925451187 /nfs/dbraw/zinc/45/11/87/925451187.db2.gz GBGFGEDXCYNMPE-KWQFWETISA-N 1 1 300.359 -2.110 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C1CCC1 ZINC001407118806 925452794 /nfs/dbraw/zinc/45/27/94/925452794.db2.gz AVIDLYOBWZQBFO-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407111223 925453092 /nfs/dbraw/zinc/45/30/92/925453092.db2.gz XCCOCUSGDRCVHG-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001407117571 925453142 /nfs/dbraw/zinc/45/31/42/925453142.db2.gz VPVMIBZEXVPYII-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156518 925454501 /nfs/dbraw/zinc/45/45/01/925454501.db2.gz BKGJLUBNNHXPAB-QMTHXVAHSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156518 925454505 /nfs/dbraw/zinc/45/45/05/925454505.db2.gz BKGJLUBNNHXPAB-QMTHXVAHSA-N 1 1 324.385 -1.703 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407164908 925456098 /nfs/dbraw/zinc/45/60/98/925456098.db2.gz NSTMMXWUXGWZGG-AWEZNQCLSA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407164908 925456099 /nfs/dbraw/zinc/45/60/99/925456099.db2.gz NSTMMXWUXGWZGG-AWEZNQCLSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CCCO)C1 ZINC001407168153 925456108 /nfs/dbraw/zinc/45/61/08/925456108.db2.gz AXIRIKVAEJZPPA-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001407175726 925456120 /nfs/dbraw/zinc/45/61/20/925456120.db2.gz LMTWXWLFSBWPTB-GWCFXTLKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001407174267 925456303 /nfs/dbraw/zinc/45/63/03/925456303.db2.gz GMWUVUBTZOOWFA-HZMBPMFUSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172926 925456412 /nfs/dbraw/zinc/45/64/12/925456412.db2.gz DHFACIGGZRDGOT-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)NC)C1 ZINC001407172926 925456419 /nfs/dbraw/zinc/45/64/19/925456419.db2.gz DHFACIGGZRDGOT-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407171703 925456921 /nfs/dbraw/zinc/45/69/21/925456921.db2.gz XJSCZBJZLYHLHT-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001407175734 925457380 /nfs/dbraw/zinc/45/73/80/925457380.db2.gz LMTWXWLFSBWPTB-GXFFZTMASA-N 1 1 307.358 -1.516 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)O)C1 ZINC001407173944 925457647 /nfs/dbraw/zinc/45/76/47/925457647.db2.gz YXDODPSLQFDXHW-IINYFYTJSA-N 1 1 314.386 -1.800 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001407196453 925458188 /nfs/dbraw/zinc/45/81/88/925458188.db2.gz KOLGGSCLJGKKFM-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C(=O)CNC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407197858 925458875 /nfs/dbraw/zinc/45/88/75/925458875.db2.gz QYYNAJNGFLWMGE-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C(=O)CNC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407197885 925459123 /nfs/dbraw/zinc/45/91/23/925459123.db2.gz QYYNAJNGFLWMGE-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001407190087 925459407 /nfs/dbraw/zinc/45/94/07/925459407.db2.gz ZOSDCBZDLGVDGH-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001407190087 925459414 /nfs/dbraw/zinc/45/94/14/925459414.db2.gz ZOSDCBZDLGVDGH-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407187085 925459491 /nfs/dbraw/zinc/45/94/91/925459491.db2.gz FIMTUWGSWWEQMR-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407187085 925459497 /nfs/dbraw/zinc/45/94/97/925459497.db2.gz FIMTUWGSWWEQMR-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1cc(C(=O)N2CC[C@](C)(C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001407227985 925460933 /nfs/dbraw/zinc/46/09/33/925460933.db2.gz SRAFKWHTSHPPAL-CYBMUJFWSA-N 1 1 319.373 -1.019 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001407285325 925461981 /nfs/dbraw/zinc/46/19/81/925461981.db2.gz IFDDRNBRNMDLOQ-ZDUSSCGKSA-N 1 1 309.374 -1.363 20 0 DAADMO CN(CC[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)S(C)(=O)=O ZINC001407319670 925462365 /nfs/dbraw/zinc/46/23/65/925462365.db2.gz NDTBOFGXRJQRQY-ZDUSSCGKSA-N 1 1 319.427 -1.159 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001407328770 925462534 /nfs/dbraw/zinc/46/25/34/925462534.db2.gz KVEUASLWSJABKD-ZYHUDNBSSA-N 1 1 300.338 -1.026 20 0 DAADMO CN(CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)S(C)(=O)=O ZINC001407319667 925463028 /nfs/dbraw/zinc/46/30/28/925463028.db2.gz NDTBOFGXRJQRQY-CYBMUJFWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345353 925464071 /nfs/dbraw/zinc/46/40/71/925464071.db2.gz JAGGXIFSUUBFER-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345353 925464077 /nfs/dbraw/zinc/46/40/77/925464077.db2.gz JAGGXIFSUUBFER-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001407346702 925464178 /nfs/dbraw/zinc/46/41/78/925464178.db2.gz FLEQDAUTEZPOME-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](CC2CCOCC2)C1 ZINC001407341102 925464466 /nfs/dbraw/zinc/46/44/66/925464466.db2.gz BHXSVVBXEOIQLS-CQSZACIVSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407346274 925464857 /nfs/dbraw/zinc/46/48/57/925464857.db2.gz DEXZZTVHBQQISE-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407346274 925464862 /nfs/dbraw/zinc/46/48/62/925464862.db2.gz DEXZZTVHBQQISE-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407345863 925465057 /nfs/dbraw/zinc/46/50/57/925465057.db2.gz DBMANTNFWDWBLN-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407345863 925465064 /nfs/dbraw/zinc/46/50/64/925465064.db2.gz DBMANTNFWDWBLN-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001407342652 925465146 /nfs/dbraw/zinc/46/51/46/925465146.db2.gz JQFMREUQWBHNBC-ZANVPECISA-N 1 1 310.358 -1.754 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001407341422 925465657 /nfs/dbraw/zinc/46/56/57/925465657.db2.gz ICTLERKPDWDIKX-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407340810 925465830 /nfs/dbraw/zinc/46/58/30/925465830.db2.gz GOOCKPBGBLZFRQ-RNCFNFMXSA-N 1 1 314.342 -2.216 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001407340810 925465835 /nfs/dbraw/zinc/46/58/35/925465835.db2.gz GOOCKPBGBLZFRQ-RNCFNFMXSA-N 1 1 314.342 -2.216 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccnnc3)C2)C1=O ZINC001407357174 925466956 /nfs/dbraw/zinc/46/69/56/925466956.db2.gz VFHAKSFFAAYKML-DOMZBBRYSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349500 925467563 /nfs/dbraw/zinc/46/75/63/925467563.db2.gz PXXMQGPPRXSRTD-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349500 925467568 /nfs/dbraw/zinc/46/75/68/925467568.db2.gz PXXMQGPPRXSRTD-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353966 925467591 /nfs/dbraw/zinc/46/75/91/925467591.db2.gz PVIVEWXZFIVCGL-NHYWBVRUSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353966 925467599 /nfs/dbraw/zinc/46/75/99/925467599.db2.gz PVIVEWXZFIVCGL-NHYWBVRUSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnc2n[nH]nc2c1 ZINC001407350084 925467985 /nfs/dbraw/zinc/46/79/85/925467985.db2.gz PPTMLQWGSCEPGZ-CYBMUJFWSA-N 1 1 306.326 -1.488 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccnnc3)C2)C1=O ZINC001407357177 925468109 /nfs/dbraw/zinc/46/81/09/925468109.db2.gz VFHAKSFFAAYKML-IUODEOHRSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349503 925468122 /nfs/dbraw/zinc/46/81/22/925468122.db2.gz PXXMQGPPRXSRTD-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349503 925468127 /nfs/dbraw/zinc/46/81/27/925468127.db2.gz PXXMQGPPRXSRTD-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001407353163 925468453 /nfs/dbraw/zinc/46/84/53/925468453.db2.gz BEURAEAJWDYCLI-AWEZNQCLSA-N 1 1 311.338 -1.534 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001407357730 925469151 /nfs/dbraw/zinc/46/91/51/925469151.db2.gz CDTGGXIHCZCNTH-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001407357730 925469161 /nfs/dbraw/zinc/46/91/61/925469161.db2.gz CDTGGXIHCZCNTH-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001407359212 925469224 /nfs/dbraw/zinc/46/92/24/925469224.db2.gz WSMPYHWEZKUIHJ-GWCFXTLKSA-N 1 1 313.358 -2.011 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363958 925469421 /nfs/dbraw/zinc/46/94/21/925469421.db2.gz JSYDLRQUUCLLMD-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363958 925469434 /nfs/dbraw/zinc/46/94/34/925469434.db2.gz JSYDLRQUUCLLMD-XHDPSFHLSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001407364234 925469702 /nfs/dbraw/zinc/46/97/02/925469702.db2.gz OBFHJWKJNJGODD-XPCVCDNBSA-N 1 1 314.382 -1.417 20 0 DAADMO CO[C@@H](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407362818 925469744 /nfs/dbraw/zinc/46/97/44/925469744.db2.gz QKXKISKAOHPIDC-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CO[C@@H](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407362818 925469747 /nfs/dbraw/zinc/46/97/47/925469747.db2.gz QKXKISKAOHPIDC-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001407358098 925469951 /nfs/dbraw/zinc/46/99/51/925469951.db2.gz HAAUFALLOPZOMN-HNNXBMFYSA-N 1 1 323.397 -1.298 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407364198 925470114 /nfs/dbraw/zinc/47/01/14/925470114.db2.gz GYWIOQXEMJSRKT-RISCZKNCSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407364198 925470119 /nfs/dbraw/zinc/47/01/19/925470119.db2.gz GYWIOQXEMJSRKT-RISCZKNCSA-N 1 1 323.353 -1.638 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001407361214 925470908 /nfs/dbraw/zinc/47/09/08/925470908.db2.gz FWKGPPHSMYFDEW-ZYHUDNBSSA-N 1 1 323.415 -2.188 20 0 DAADMO Cc1nn(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)c(=O)n1C ZINC001407358224 925470921 /nfs/dbraw/zinc/47/09/21/925470921.db2.gz DEEWIYIJXOCBQF-OAHLLOKOSA-N 1 1 323.397 -1.147 20 0 DAADMO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407363552 925471071 /nfs/dbraw/zinc/47/10/71/925471071.db2.gz DNEJMBKLQYZSSD-OAHLLOKOSA-N 1 1 321.381 -1.048 20 0 DAADMO CCc1ncncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407363552 925471075 /nfs/dbraw/zinc/47/10/75/925471075.db2.gz DNEJMBKLQYZSSD-OAHLLOKOSA-N 1 1 321.381 -1.048 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001407367133 925471550 /nfs/dbraw/zinc/47/15/50/925471550.db2.gz JALVHFIULRKUHT-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001407367133 925471558 /nfs/dbraw/zinc/47/15/58/925471558.db2.gz JALVHFIULRKUHT-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001407368781 925472357 /nfs/dbraw/zinc/47/23/57/925472357.db2.gz KQCACGVJPXKGMS-AWEZNQCLSA-N 1 1 309.370 -1.380 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001407368781 925472364 /nfs/dbraw/zinc/47/23/64/925472364.db2.gz KQCACGVJPXKGMS-AWEZNQCLSA-N 1 1 309.370 -1.380 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2coc(OC)n2)C1 ZINC001407366264 925472550 /nfs/dbraw/zinc/47/25/50/925472550.db2.gz QCXBOCIOUBFLEY-ZDUSSCGKSA-N 1 1 312.326 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2coc(OC)n2)C1 ZINC001407366264 925472555 /nfs/dbraw/zinc/47/25/55/925472555.db2.gz QCXBOCIOUBFLEY-ZDUSSCGKSA-N 1 1 312.326 -1.404 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001407372038 925472576 /nfs/dbraw/zinc/47/25/76/925472576.db2.gz XVMFJTIEDPJNMC-VCTAVGKDSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001407372038 925472582 /nfs/dbraw/zinc/47/25/82/925472582.db2.gz XVMFJTIEDPJNMC-VCTAVGKDSA-N 1 1 324.381 -1.076 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001407374420 925472917 /nfs/dbraw/zinc/47/29/17/925472917.db2.gz BVBZTYONDRISKG-ZDUSSCGKSA-N 1 1 311.342 -1.962 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001407374420 925472923 /nfs/dbraw/zinc/47/29/23/925472923.db2.gz BVBZTYONDRISKG-ZDUSSCGKSA-N 1 1 311.342 -1.962 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)O1 ZINC001407373859 925472990 /nfs/dbraw/zinc/47/29/90/925472990.db2.gz ZKVBMWARQAJUSZ-YWPYICTPSA-N 1 1 311.382 -1.018 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001407370074 925473005 /nfs/dbraw/zinc/47/30/05/925473005.db2.gz MRWDQLHVBAFIPT-CQSZACIVSA-N 1 1 310.354 -1.821 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001407372864 925473051 /nfs/dbraw/zinc/47/30/51/925473051.db2.gz OSZIBJZIWBXGOM-WFASDCNBSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001407372864 925473058 /nfs/dbraw/zinc/47/30/58/925473058.db2.gz OSZIBJZIWBXGOM-WFASDCNBSA-N 1 1 321.381 -1.248 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccnc2n[nH]nc21 ZINC001407377758 925473886 /nfs/dbraw/zinc/47/38/86/925473886.db2.gz TYSKBPUFEIUIIA-ZDUSSCGKSA-N 1 1 306.326 -1.488 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407379048 925474004 /nfs/dbraw/zinc/47/40/04/925474004.db2.gz MOYAUDHJOHSBMT-OAHLLOKOSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407374798 925474216 /nfs/dbraw/zinc/47/42/16/925474216.db2.gz DQKGPIWIMZQTFL-XHDPSFHLSA-N 1 1 323.397 -1.015 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407375435 925474281 /nfs/dbraw/zinc/47/42/81/925474281.db2.gz SABPWQSQXWEPAW-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407375435 925474288 /nfs/dbraw/zinc/47/42/88/925474288.db2.gz SABPWQSQXWEPAW-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CC(=O)NC3CC3)C2)C1 ZINC001407380312 925474527 /nfs/dbraw/zinc/47/45/27/925474527.db2.gz DVADEELFIVADMR-LRDDRELGSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)COC)C1 ZINC001407375235 925475051 /nfs/dbraw/zinc/47/50/51/925475051.db2.gz UPBMYOYPFKPDOA-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)COC)C1 ZINC001407375235 925475059 /nfs/dbraw/zinc/47/50/59/925475059.db2.gz UPBMYOYPFKPDOA-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1=O ZINC001407378643 925475169 /nfs/dbraw/zinc/47/51/69/925475169.db2.gz UQRDJIJNJUYDTL-YGRLFVJLSA-N 1 1 322.369 -1.869 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001407374796 925475226 /nfs/dbraw/zinc/47/52/26/925475226.db2.gz DQKGPIWIMZQTFL-NHYWBVRUSA-N 1 1 323.397 -1.015 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375055 925475409 /nfs/dbraw/zinc/47/54/09/925475409.db2.gz XAPOZBYJNFJDIT-PRHODGIISA-N 1 1 311.346 -2.359 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375055 925475413 /nfs/dbraw/zinc/47/54/13/925475413.db2.gz XAPOZBYJNFJDIT-PRHODGIISA-N 1 1 311.346 -2.359 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407385354 925476261 /nfs/dbraw/zinc/47/62/61/925476261.db2.gz YQTNETVMSWKQPI-XPTSAGLGSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407385354 925476268 /nfs/dbraw/zinc/47/62/68/925476268.db2.gz YQTNETVMSWKQPI-XPTSAGLGSA-N 1 1 307.354 -1.175 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407380600 925476429 /nfs/dbraw/zinc/47/64/29/925476429.db2.gz FFCLATKPWPEXKH-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407380600 925476436 /nfs/dbraw/zinc/47/64/36/925476436.db2.gz FFCLATKPWPEXKH-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCc2nncn2C1 ZINC001407382335 925476451 /nfs/dbraw/zinc/47/64/51/925476451.db2.gz VWJOYBLPVILARU-SWLSCSKDSA-N 1 1 323.397 -1.224 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407385359 925476974 /nfs/dbraw/zinc/47/69/74/925476974.db2.gz YQTNETVMSWKQPI-YMTOWFKASA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407385359 925476981 /nfs/dbraw/zinc/47/69/81/925476981.db2.gz YQTNETVMSWKQPI-YMTOWFKASA-N 1 1 307.354 -1.175 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2nccn2C1 ZINC001407389541 925478388 /nfs/dbraw/zinc/47/83/88/925478388.db2.gz VYQSWUNOOIMAPS-SWLSCSKDSA-N 1 1 308.382 -1.009 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001407387886 925478493 /nfs/dbraw/zinc/47/84/93/925478493.db2.gz WPNVGKZNOCMLGI-AAEUAGOBSA-N 1 1 322.369 -1.737 20 0 DAADMO CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407387491 925478499 /nfs/dbraw/zinc/47/84/99/925478499.db2.gz UAOZVDXTSLOMDN-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407396586 925479639 /nfs/dbraw/zinc/47/96/39/925479639.db2.gz HJLJWJBBCCTPOE-GHMZBOCLSA-N 1 1 314.386 -2.386 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407396586 925479644 /nfs/dbraw/zinc/47/96/44/925479644.db2.gz HJLJWJBBCCTPOE-GHMZBOCLSA-N 1 1 314.386 -2.386 20 0 DAADMO COCC(=O)NCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001407421014 925490085 /nfs/dbraw/zinc/49/00/85/925490085.db2.gz JTOFPAWBICFCQN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001407437225 925493665 /nfs/dbraw/zinc/49/36/65/925493665.db2.gz RLYVWIBNTWTHIR-UHFFFAOYSA-N 1 1 320.415 -2.045 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)COC)CCO1 ZINC001407459949 925495627 /nfs/dbraw/zinc/49/56/27/925495627.db2.gz CGWAKOUUPFFVFJ-WDEREUQCSA-N 1 1 323.415 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)COC)CCO1 ZINC001407459949 925495631 /nfs/dbraw/zinc/49/56/31/925495631.db2.gz CGWAKOUUPFFVFJ-WDEREUQCSA-N 1 1 323.415 -1.613 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001407468858 925496647 /nfs/dbraw/zinc/49/66/47/925496647.db2.gz BVFKJNJUJZELFX-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001407500276 925502753 /nfs/dbraw/zinc/50/27/53/925502753.db2.gz PRESMYCSRIIGLV-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001407500290 925502798 /nfs/dbraw/zinc/50/27/98/925502798.db2.gz PRESMYCSRIIGLV-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001407525493 925504557 /nfs/dbraw/zinc/50/45/57/925504557.db2.gz FCZZGWHAJDUQAV-BTTYYORXSA-N 1 1 324.425 -1.230 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001407549395 925505354 /nfs/dbraw/zinc/50/53/54/925505354.db2.gz HAMIWAASDHNMGK-QNWHQSFQSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)NC(N)=O ZINC001407551403 925505525 /nfs/dbraw/zinc/50/55/25/925505525.db2.gz GNKFDZOWAMHHMN-NNYUYHANSA-N 1 1 323.397 -1.288 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001407561880 925505796 /nfs/dbraw/zinc/50/57/96/925505796.db2.gz YIXAMFDHJROMSD-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001407548601 925505823 /nfs/dbraw/zinc/50/58/23/925505823.db2.gz AFVJMYRQHMAGGI-SDDRHHMPSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C1 ZINC001407552791 925506100 /nfs/dbraw/zinc/50/61/00/925506100.db2.gz KRTDHVJYCXFYJT-UTUOFQBUSA-N 1 1 324.381 -1.131 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001407565780 925506215 /nfs/dbraw/zinc/50/62/15/925506215.db2.gz XIUWPNHWVBOFNH-UPJWGTAASA-N 1 1 313.398 -1.138 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001407564206 925506390 /nfs/dbraw/zinc/50/63/90/925506390.db2.gz ZLKPZWPESZMCMH-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001407559900 925506582 /nfs/dbraw/zinc/50/65/82/925506582.db2.gz JJMAKEDRTYREJK-AOOOYVTPSA-N 1 1 308.379 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407564263 925506620 /nfs/dbraw/zinc/50/66/20/925506620.db2.gz VMAUNYXVCAQOTF-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001407567867 925506629 /nfs/dbraw/zinc/50/66/29/925506629.db2.gz FKPIKCIBYMVUOP-PHIMTYICSA-N 1 1 323.397 -1.286 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001407595386 925508169 /nfs/dbraw/zinc/50/81/69/925508169.db2.gz QASKEVXXPAUKCU-OUAUKWLOSA-N 1 1 311.386 -1.301 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1COC(=O)N1 ZINC001407605773 925510207 /nfs/dbraw/zinc/51/02/07/925510207.db2.gz HSTWHGLJKXUUKK-ZWNOBZJWSA-N 1 1 301.343 -1.580 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCC(=O)NC1 ZINC001407632362 925511534 /nfs/dbraw/zinc/51/15/34/925511534.db2.gz BHWWNNLBDLUPLE-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(CC(N)=O)C1 ZINC001407631039 925511916 /nfs/dbraw/zinc/51/19/16/925511916.db2.gz RIXYREYKZYJQPS-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407623961 925511975 /nfs/dbraw/zinc/51/19/75/925511975.db2.gz FPNSRGKQRXZLGS-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407623961 925511980 /nfs/dbraw/zinc/51/19/80/925511980.db2.gz FPNSRGKQRXZLGS-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCC(=O)NC1 ZINC001407632366 925512665 /nfs/dbraw/zinc/51/26/65/925512665.db2.gz BHWWNNLBDLUPLE-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cnon2)C1 ZINC001407640370 925514246 /nfs/dbraw/zinc/51/42/46/925514246.db2.gz ROTVIANYMJTPKB-MFKMUULPSA-N 1 1 314.342 -1.366 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCOC)C1 ZINC001407662354 925516074 /nfs/dbraw/zinc/51/60/74/925516074.db2.gz YQOUMFQEVBGCJE-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407667654 925516221 /nfs/dbraw/zinc/51/62/21/925516221.db2.gz KFUAZIHTVYCJFB-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683084 925518641 /nfs/dbraw/zinc/51/86/41/925518641.db2.gz UZTCTFNLEKNNHE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683084 925518647 /nfs/dbraw/zinc/51/86/47/925518647.db2.gz UZTCTFNLEKNNHE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683087 925519046 /nfs/dbraw/zinc/51/90/46/925519046.db2.gz UZTCTFNLEKNNHE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683087 925519056 /nfs/dbraw/zinc/51/90/56/925519056.db2.gz UZTCTFNLEKNNHE-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001407734703 925521894 /nfs/dbraw/zinc/52/18/94/925521894.db2.gz TZTGPYBJNSMIGU-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001407752784 925524443 /nfs/dbraw/zinc/52/44/43/925524443.db2.gz IWJRWZNAICTXSO-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001407785185 925525085 /nfs/dbraw/zinc/52/50/85/925525085.db2.gz IBKFPTXAZFOPCP-MRVPVSSYSA-N 1 1 309.330 -1.553 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)C1 ZINC001407780548 925525114 /nfs/dbraw/zinc/52/51/14/925525114.db2.gz SWVKESQUKLHJAN-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001407785188 925525432 /nfs/dbraw/zinc/52/54/32/925525432.db2.gz IBKFPTXAZFOPCP-QMMMGPOBSA-N 1 1 309.330 -1.553 20 0 DAADMO Cn1cc(C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)nn1 ZINC001407790642 925526322 /nfs/dbraw/zinc/52/63/22/925526322.db2.gz VEJMYCKALCRJQR-UHFFFAOYSA-N 1 1 305.346 -1.219 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCC1 ZINC001407793193 925526629 /nfs/dbraw/zinc/52/66/29/925526629.db2.gz QVAUZMGSXYQVFW-ZJUUUORDSA-N 1 1 321.385 -1.150 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 ZINC001407806058 925526803 /nfs/dbraw/zinc/52/68/03/925526803.db2.gz WRDYFGNWLKBWQJ-UHFFFAOYSA-N 1 1 318.341 -1.264 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001407849433 925530203 /nfs/dbraw/zinc/53/02/03/925530203.db2.gz JRNBQTWNGOIWRK-GHMZBOCLSA-N 1 1 324.385 -1.356 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001407853300 925531442 /nfs/dbraw/zinc/53/14/42/925531442.db2.gz RFGRPAAFDJKDDA-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@H]1CNC(=O)N1 ZINC001407912094 925535123 /nfs/dbraw/zinc/53/51/23/925535123.db2.gz ADDGFRVXBSBAHH-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)CNC(C)=O)C1 ZINC001408065676 925543188 /nfs/dbraw/zinc/54/31/88/925543188.db2.gz URDFDSPSODDLLT-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)CNC(C)=O)C1 ZINC001408065676 925543196 /nfs/dbraw/zinc/54/31/96/925543196.db2.gz URDFDSPSODDLLT-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001408103194 925548337 /nfs/dbraw/zinc/54/83/37/925548337.db2.gz IITJQIZTBKXESB-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001408103194 925548342 /nfs/dbraw/zinc/54/83/42/925548342.db2.gz IITJQIZTBKXESB-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113619 925548395 /nfs/dbraw/zinc/54/83/95/925548395.db2.gz XCQAXDYAVQFGAI-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cncnc1 ZINC001408113619 925548403 /nfs/dbraw/zinc/54/84/03/925548403.db2.gz XCQAXDYAVQFGAI-DGCLKSJQSA-N 1 1 321.381 -1.029 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001408151609 925551472 /nfs/dbraw/zinc/55/14/72/925551472.db2.gz DCEPYWYATBFTEF-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001408165513 925553011 /nfs/dbraw/zinc/55/30/11/925553011.db2.gz NLHLXMPPWLFCBP-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001408165513 925553020 /nfs/dbraw/zinc/55/30/20/925553020.db2.gz NLHLXMPPWLFCBP-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408192641 925554701 /nfs/dbraw/zinc/55/47/01/925554701.db2.gz CQHHWRALQRRQJP-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408193432 925555168 /nfs/dbraw/zinc/55/51/68/925555168.db2.gz FACPEQXMDPMNAF-ZJUUUORDSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408193432 925555175 /nfs/dbraw/zinc/55/51/75/925555175.db2.gz FACPEQXMDPMNAF-ZJUUUORDSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408192633 925555364 /nfs/dbraw/zinc/55/53/64/925555364.db2.gz CQHHWRALQRRQJP-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001408184917 925555463 /nfs/dbraw/zinc/55/54/63/925555463.db2.gz HNTKQDKAXYEJTH-SNVBAGLBSA-N 1 1 319.427 -1.008 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001408278697 925561808 /nfs/dbraw/zinc/56/18/08/925561808.db2.gz ADQKFMDDXWUNEV-QMMMGPOBSA-N 1 1 306.330 -1.350 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CO)CCN(CC(N)=O)CC1 ZINC001408274368 925561878 /nfs/dbraw/zinc/56/18/78/925561878.db2.gz IFYSSPMOZPDQFD-LBPRGKRZSA-N 1 1 312.414 -1.101 20 0 DAADMO Cn1cnc(C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)n1 ZINC001408268683 925562197 /nfs/dbraw/zinc/56/21/97/925562197.db2.gz UJQDDPLTYJKXRC-SNVBAGLBSA-N 1 1 322.369 -1.740 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324662 925564479 /nfs/dbraw/zinc/56/44/79/925564479.db2.gz DAKQOSZQBBKWSC-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324662 925564484 /nfs/dbraw/zinc/56/44/84/925564484.db2.gz DAKQOSZQBBKWSC-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001408320902 925565355 /nfs/dbraw/zinc/56/53/55/925565355.db2.gz BBEGQHCOIFZSHK-SECBINFHSA-N 1 1 321.403 -2.552 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001408320902 925565360 /nfs/dbraw/zinc/56/53/60/925565360.db2.gz BBEGQHCOIFZSHK-SECBINFHSA-N 1 1 321.403 -2.552 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cccnn1 ZINC001408542279 925575225 /nfs/dbraw/zinc/57/52/25/925575225.db2.gz KVBUUXZKFUCOAQ-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cccnn1 ZINC001408542279 925575234 /nfs/dbraw/zinc/57/52/34/925575234.db2.gz KVBUUXZKFUCOAQ-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1COCCO1 ZINC001408542272 925575342 /nfs/dbraw/zinc/57/53/42/925575342.db2.gz KTEWNSTXUHGABT-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1COCCO1 ZINC001408542272 925575350 /nfs/dbraw/zinc/57/53/50/925575350.db2.gz KTEWNSTXUHGABT-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cn(C)nn2)C1 ZINC001408561424 925577193 /nfs/dbraw/zinc/57/71/93/925577193.db2.gz KIMWUDQIQOAKDO-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cn(C)nn2)C1 ZINC001408561424 925577197 /nfs/dbraw/zinc/57/71/97/925577197.db2.gz KIMWUDQIQOAKDO-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001408574414 925578198 /nfs/dbraw/zinc/57/81/98/925578198.db2.gz NNZNNNZDHXVRLH-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001408574413 925578359 /nfs/dbraw/zinc/57/83/59/925578359.db2.gz NNZNNNZDHXVRLH-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)c(=O)cn1 ZINC001408574699 925578403 /nfs/dbraw/zinc/57/84/03/925578403.db2.gz YENKGLDWRLJMIF-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408578764 925578564 /nfs/dbraw/zinc/57/85/64/925578564.db2.gz NDBXEHLMJOXMHK-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408578764 925578575 /nfs/dbraw/zinc/57/85/75/925578575.db2.gz NDBXEHLMJOXMHK-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)[C@H]2CNC(=O)N2)CC[N@H+]1C ZINC001408582922 925580777 /nfs/dbraw/zinc/58/07/77/925580777.db2.gz LMYZPDXDNXOGQY-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)c1nnn(C)n1 ZINC001408600397 925582844 /nfs/dbraw/zinc/58/28/44/925582844.db2.gz BAQXJNIWTVWTIV-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)Cn1nccn1 ZINC001408627836 925583276 /nfs/dbraw/zinc/58/32/76/925583276.db2.gz SFVBWLMVPVKKLM-UHFFFAOYSA-N 1 1 324.385 -1.425 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001408618708 925583297 /nfs/dbraw/zinc/58/32/97/925583297.db2.gz JCDFGELKPCWRSR-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CNC(=O)N1 ZINC001408633442 925584350 /nfs/dbraw/zinc/58/43/50/925584350.db2.gz NQNUALPLAYZXOH-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001408671867 925589358 /nfs/dbraw/zinc/58/93/58/925589358.db2.gz WTNKSDMWAHWBCR-SNVBAGLBSA-N 1 1 308.342 -1.552 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CNC(=O)NC ZINC001408725632 925592887 /nfs/dbraw/zinc/59/28/87/925592887.db2.gz IEJDXIAFDGOLOA-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001408770503 925594346 /nfs/dbraw/zinc/59/43/46/925594346.db2.gz DOUXIOWOYRHMFQ-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCNC(=O)Cn1cnnn1)C1CC1 ZINC001408896878 925598947 /nfs/dbraw/zinc/59/89/47/925598947.db2.gz LWFFSTGWEXOUNO-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)c2cnon2)C1 ZINC001409078206 925611050 /nfs/dbraw/zinc/61/10/50/925611050.db2.gz GECGSCBLOVFIDB-UHFFFAOYSA-N 1 1 309.326 -1.268 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001409066504 925611070 /nfs/dbraw/zinc/61/10/70/925611070.db2.gz AYDYBIMORZXGOC-NSHDSACASA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409081989 925612468 /nfs/dbraw/zinc/61/24/68/925612468.db2.gz LIWUUMCVHYLAPT-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)CCNC(N)=O)C2)C1 ZINC001409139943 925618454 /nfs/dbraw/zinc/61/84/54/925618454.db2.gz DGVYPCUKQYUWRC-NSHDSACASA-N 1 1 311.386 -1.429 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001409135567 925619542 /nfs/dbraw/zinc/61/95/42/925619542.db2.gz LLXYTNKROQOOAK-NSHDSACASA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001409182013 925623796 /nfs/dbraw/zinc/62/37/96/925623796.db2.gz JFXVCEDIGLQQRZ-CMPLNLGQSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001409182016 925624669 /nfs/dbraw/zinc/62/46/69/925624669.db2.gz JFXVCEDIGLQQRZ-ZYHUDNBSSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CN1CCCC1=O ZINC001409284070 925627994 /nfs/dbraw/zinc/62/79/94/925627994.db2.gz FPUFMBCCNBQWHA-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409299098 925629154 /nfs/dbraw/zinc/62/91/54/925629154.db2.gz GXXDFBJYKSFQQS-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409372908 925630807 /nfs/dbraw/zinc/63/08/07/925630807.db2.gz OWFBGOYNJRMYFR-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409370566 925631138 /nfs/dbraw/zinc/63/11/38/925631138.db2.gz MTWYOVCQEDWUOD-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001409376987 925632849 /nfs/dbraw/zinc/63/28/49/925632849.db2.gz HKVYZKWXCRFDGS-RKDXNWHRSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001409480494 925635165 /nfs/dbraw/zinc/63/51/65/925635165.db2.gz XETWJGAUQUJSJA-RKDXNWHRSA-N 1 1 322.373 -1.456 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409563143 925635669 /nfs/dbraw/zinc/63/56/69/925635669.db2.gz FKRSSDULQWPQAL-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001409513163 925635713 /nfs/dbraw/zinc/63/57/13/925635713.db2.gz SKGBSPVPRRDXDL-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001409513163 925635719 /nfs/dbraw/zinc/63/57/19/925635719.db2.gz SKGBSPVPRRDXDL-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001409559662 925635907 /nfs/dbraw/zinc/63/59/07/925635907.db2.gz YTBBPFRREACOMZ-NXEZZACHSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001409559662 925635911 /nfs/dbraw/zinc/63/59/11/925635911.db2.gz YTBBPFRREACOMZ-NXEZZACHSA-N 1 1 301.391 -1.124 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@H+](C)CCNS(C)(=O)=O ZINC001409558218 925636176 /nfs/dbraw/zinc/63/61/76/925636176.db2.gz VUBSZNVHRSJUMB-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409558218 925636184 /nfs/dbraw/zinc/63/61/84/925636184.db2.gz VUBSZNVHRSJUMB-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)[N@H+](C)CCNS(C)(=O)=O ZINC001409531178 925636455 /nfs/dbraw/zinc/63/64/55/925636455.db2.gz SXIYGNIRPIOVAP-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409531178 925636460 /nfs/dbraw/zinc/63/64/60/925636460.db2.gz SXIYGNIRPIOVAP-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnc1)[N@H+](C)CC(=O)NC(N)=O ZINC001409603778 925637290 /nfs/dbraw/zinc/63/72/90/925637290.db2.gz YHFZFBNTHKEUPM-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnc1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409603778 925637295 /nfs/dbraw/zinc/63/72/95/925637295.db2.gz YHFZFBNTHKEUPM-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409591155 925637423 /nfs/dbraw/zinc/63/74/23/925637423.db2.gz LTJILQZRFBYJCA-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cncn1C ZINC001409603700 925637491 /nfs/dbraw/zinc/63/74/91/925637491.db2.gz SMRCCIHSDMVVDQ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cncn1C ZINC001409603700 925637495 /nfs/dbraw/zinc/63/74/95/925637495.db2.gz SMRCCIHSDMVVDQ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)CC(=O)N(C)C ZINC001409566363 925637503 /nfs/dbraw/zinc/63/75/03/925637503.db2.gz NEHJXOBGRWUXQS-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)CC(=O)N(C)C ZINC001409566363 925637507 /nfs/dbraw/zinc/63/75/07/925637507.db2.gz NEHJXOBGRWUXQS-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001409605389 925637619 /nfs/dbraw/zinc/63/76/19/925637619.db2.gz VELLCTHSYPKLGH-GHMZBOCLSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409591151 925637738 /nfs/dbraw/zinc/63/77/38/925637738.db2.gz LTJILQZRFBYJCA-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001409565044 925637794 /nfs/dbraw/zinc/63/77/94/925637794.db2.gz LLBNRFXFEZAIHH-GHMZBOCLSA-N 1 1 312.370 -1.162 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001409578120 925637847 /nfs/dbraw/zinc/63/78/47/925637847.db2.gz JDQXFUACOKLTSN-ZJUUUORDSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@H+](C)CCF ZINC001409578320 925638016 /nfs/dbraw/zinc/63/80/16/925638016.db2.gz RKIOSRWGINLYLV-SNVBAGLBSA-N 1 1 300.334 -1.047 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@@H+](C)CCF ZINC001409578320 925638025 /nfs/dbraw/zinc/63/80/25/925638025.db2.gz RKIOSRWGINLYLV-SNVBAGLBSA-N 1 1 300.334 -1.047 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ncccn1 ZINC001409619425 925640078 /nfs/dbraw/zinc/64/00/78/925640078.db2.gz ORXXOCCUJBDGOR-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ncccn1 ZINC001409619425 925640086 /nfs/dbraw/zinc/64/00/86/925640086.db2.gz ORXXOCCUJBDGOR-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409616398 925640904 /nfs/dbraw/zinc/64/09/04/925640904.db2.gz DBBBYJHFAALNJJ-DTWKUNHWSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409616398 925640910 /nfs/dbraw/zinc/64/09/10/925640910.db2.gz DBBBYJHFAALNJJ-DTWKUNHWSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](CNC(=O)c1ccnc2c1nnn2C)[N@H+](C)CC(N)=O ZINC001409626124 925641113 /nfs/dbraw/zinc/64/11/13/925641113.db2.gz LZBZYTPQXZZAFJ-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@H](CNC(=O)c1ccnc2c1nnn2C)[N@@H+](C)CC(N)=O ZINC001409626124 925641121 /nfs/dbraw/zinc/64/11/21/925641121.db2.gz LZBZYTPQXZZAFJ-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001409697082 925643691 /nfs/dbraw/zinc/64/36/91/925643691.db2.gz IRXKABSJPUVNAP-LLVKDONJSA-N 1 1 312.374 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cncn1C ZINC001409699495 925645384 /nfs/dbraw/zinc/64/53/84/925645384.db2.gz MAFQWFLGRDYFKK-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cncn1C ZINC001409699495 925645389 /nfs/dbraw/zinc/64/53/89/925645389.db2.gz MAFQWFLGRDYFKK-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001409719304 925647088 /nfs/dbraw/zinc/64/70/88/925647088.db2.gz JVQSGWMJWSUANK-NSHDSACASA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@H](F)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409747525 925651054 /nfs/dbraw/zinc/65/10/54/925651054.db2.gz RZRUHMNMMLVDFR-UWVGGRQHSA-N 1 1 302.350 -1.031 20 0 DAADMO C[C@H](F)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001409747526 925651177 /nfs/dbraw/zinc/65/11/77/925651177.db2.gz RZRUHMNMMLVDFR-VHSXEESVSA-N 1 1 302.350 -1.031 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001409747524 925651271 /nfs/dbraw/zinc/65/12/71/925651271.db2.gz RZRUHMNMMLVDFR-NXEZZACHSA-N 1 1 302.350 -1.031 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@H+](C)CCF ZINC001409766429 925653399 /nfs/dbraw/zinc/65/33/99/925653399.db2.gz UPPJMQNKQBEBLH-UWVGGRQHSA-N 1 1 315.353 -1.416 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@@H+](C)CCF ZINC001409766429 925653404 /nfs/dbraw/zinc/65/34/04/925653404.db2.gz UPPJMQNKQBEBLH-UWVGGRQHSA-N 1 1 315.353 -1.416 20 0 DAADMO NC(=O)CN1CC(CCO)(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001409756826 925653902 /nfs/dbraw/zinc/65/39/02/925653902.db2.gz XXUOEXSSQPYNNS-AWEZNQCLSA-N 1 1 310.398 -1.489 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001409914982 925654427 /nfs/dbraw/zinc/65/44/27/925654427.db2.gz KZAGMKVAGLIDEH-MWLCHTKSSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@H](NC(=O)CN1CCCC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409868215 925654970 /nfs/dbraw/zinc/65/49/70/925654970.db2.gz SJVBYNCYJUTHCZ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409937392 925656689 /nfs/dbraw/zinc/65/66/89/925656689.db2.gz XFZUSVVRLYDROJ-IUCAKERBSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409928174 925657315 /nfs/dbraw/zinc/65/73/15/925657315.db2.gz RVVWGNZFWSGPIO-SNVBAGLBSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001409937413 925657473 /nfs/dbraw/zinc/65/74/73/925657473.db2.gz XFZUSVVRLYDROJ-RKDXNWHRSA-N 1 1 310.358 -2.108 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001409969509 925659357 /nfs/dbraw/zinc/65/93/57/925659357.db2.gz FHXOIZNWCSNBJW-NSHDSACASA-N 1 1 324.385 -1.026 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001409969509 925659362 /nfs/dbraw/zinc/65/93/62/925659362.db2.gz FHXOIZNWCSNBJW-NSHDSACASA-N 1 1 324.385 -1.026 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)Cn1ncnn1 ZINC001409996998 925660612 /nfs/dbraw/zinc/66/06/12/925660612.db2.gz MZCHJOJKWNCBNJ-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001409977340 925660658 /nfs/dbraw/zinc/66/06/58/925660658.db2.gz OUNWVIKNKGHMRS-WCBMZHEXSA-N 1 1 320.415 -1.764 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001409977329 925660692 /nfs/dbraw/zinc/66/06/92/925660692.db2.gz OUNWVIKNKGHMRS-PSASIEDQSA-N 1 1 320.415 -1.764 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C2C[NH+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001409977589 925661070 /nfs/dbraw/zinc/66/10/70/925661070.db2.gz LQZBQQPLQPSZEX-BDAKNGLRSA-N 1 1 324.385 -1.799 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCOC)[C@@H]2C1 ZINC001410025754 925662149 /nfs/dbraw/zinc/66/21/49/925662149.db2.gz DWHBTAKHHHMFGV-RTCCRHLQSA-N 1 1 312.370 -1.228 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001410023241 925662212 /nfs/dbraw/zinc/66/22/12/925662212.db2.gz ATHUMZODIMWCSF-DBIOUOCHSA-N 1 1 312.370 -1.229 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001410014581 925662552 /nfs/dbraw/zinc/66/25/52/925662552.db2.gz DYRPXIMZCOFRKP-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001410014581 925662557 /nfs/dbraw/zinc/66/25/57/925662557.db2.gz DYRPXIMZCOFRKP-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001410049628 925665182 /nfs/dbraw/zinc/66/51/82/925665182.db2.gz FIAGXNDZEVYSDO-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001410049720 925666075 /nfs/dbraw/zinc/66/60/75/925666075.db2.gz FIAGXNDZEVYSDO-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CCOCC3)[C@@H]2C1 ZINC001410046414 925666129 /nfs/dbraw/zinc/66/61/29/925666129.db2.gz PKWKTOWPOCTZPB-CNDDSTCGSA-N 1 1 324.381 -1.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001410064341 925668599 /nfs/dbraw/zinc/66/85/99/925668599.db2.gz JMIQZKKURXNAGP-SYQHCUMBSA-N 1 1 324.425 -1.253 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069244 925669914 /nfs/dbraw/zinc/66/99/14/925669914.db2.gz DHANTYUXSWYTKK-QWRGUYRKSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069244 925669921 /nfs/dbraw/zinc/66/99/21/925669921.db2.gz DHANTYUXSWYTKK-QWRGUYRKSA-N 1 1 323.353 -1.986 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001410069515 925670170 /nfs/dbraw/zinc/67/01/70/925670170.db2.gz CORJVEGTCBZCOL-JQWIXIFHSA-N 1 1 310.354 -1.028 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069071 925671025 /nfs/dbraw/zinc/67/10/25/925671025.db2.gz DAVOKZURRNYLJE-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069071 925671028 /nfs/dbraw/zinc/67/10/28/925671028.db2.gz DAVOKZURRNYLJE-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCCC(N)=O ZINC001410074096 925671592 /nfs/dbraw/zinc/67/15/92/925671592.db2.gz CGXOASPMZVSXNX-MNOVXSKESA-N 1 1 314.386 -1.671 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001410085414 925676475 /nfs/dbraw/zinc/67/64/75/925676475.db2.gz LVDUXOVDKSHBFG-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCNC(N)=O ZINC001410088707 925676866 /nfs/dbraw/zinc/67/68/66/925676866.db2.gz MVJPRANIAAKJFO-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO CO[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001410092856 925678597 /nfs/dbraw/zinc/67/85/97/925678597.db2.gz WQLXHIMPXHEMFX-KQXIARHKSA-N 1 1 324.381 -1.100 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)nn1 ZINC001410097532 925679537 /nfs/dbraw/zinc/67/95/37/925679537.db2.gz ZHMUNEXRIYMROO-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4ncnn4)[C@@H]3C2)nn1 ZINC001410097532 925679539 /nfs/dbraw/zinc/67/95/39/925679539.db2.gz ZHMUNEXRIYMROO-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnns1 ZINC001410097709 925679661 /nfs/dbraw/zinc/67/96/61/925679661.db2.gz QYLKHRITXJKGIG-IUCAKERBSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001410097698 925680054 /nfs/dbraw/zinc/68/00/54/925680054.db2.gz QYLKHRITXJKGIG-BDAKNGLRSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001410098522 925680105 /nfs/dbraw/zinc/68/01/05/925680105.db2.gz VYPZJDQDTOZTBX-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001410097714 925680231 /nfs/dbraw/zinc/68/02/31/925680231.db2.gz QYLKHRITXJKGIG-RKDXNWHRSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001410100414 925681088 /nfs/dbraw/zinc/68/10/88/925681088.db2.gz XJSYORYYCNNAGL-QWRGUYRKSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cnsn1 ZINC001410102008 925682070 /nfs/dbraw/zinc/68/20/70/925682070.db2.gz WCWROELSQHDFNW-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001410104281 925682628 /nfs/dbraw/zinc/68/26/28/925682628.db2.gz XCCWHFBGXGFWCR-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c(=O)n1C ZINC001410111459 925684331 /nfs/dbraw/zinc/68/43/31/925684331.db2.gz DPINATRGNXGAIE-XYYAHUGASA-N 1 1 323.397 -1.433 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnnn2C)C1 ZINC001410109127 925685363 /nfs/dbraw/zinc/68/53/63/925685363.db2.gz DMIYNMSRKSYBMH-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001410118842 925688550 /nfs/dbraw/zinc/68/85/50/925688550.db2.gz FGFVJWHXXMRSAL-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001410119550 925688566 /nfs/dbraw/zinc/68/85/66/925688566.db2.gz DYGSQASBQNSXRG-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119550 925688572 /nfs/dbraw/zinc/68/85/72/925688572.db2.gz DYGSQASBQNSXRG-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119550 925688579 /nfs/dbraw/zinc/68/85/79/925688579.db2.gz DYGSQASBQNSXRG-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001410121771 925689053 /nfs/dbraw/zinc/68/90/53/925689053.db2.gz CMUZUEGSUCGAIJ-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001410119545 925689310 /nfs/dbraw/zinc/68/93/10/925689310.db2.gz DYGSQASBQNSXRG-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119545 925689315 /nfs/dbraw/zinc/68/93/15/925689315.db2.gz DYGSQASBQNSXRG-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119545 925689320 /nfs/dbraw/zinc/68/93/20/925689320.db2.gz DYGSQASBQNSXRG-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001410139531 925691763 /nfs/dbraw/zinc/69/17/63/925691763.db2.gz ZVTZNIHWMWVUMS-QWRGUYRKSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001410139531 925691768 /nfs/dbraw/zinc/69/17/68/925691768.db2.gz ZVTZNIHWMWVUMS-QWRGUYRKSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001410139531 925691774 /nfs/dbraw/zinc/69/17/74/925691774.db2.gz ZVTZNIHWMWVUMS-QWRGUYRKSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001410139529 925692898 /nfs/dbraw/zinc/69/28/98/925692898.db2.gz ZVTZNIHWMWVUMS-MNOVXSKESA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001410139529 925692907 /nfs/dbraw/zinc/69/29/07/925692907.db2.gz ZVTZNIHWMWVUMS-MNOVXSKESA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001410139529 925692917 /nfs/dbraw/zinc/69/29/17/925692917.db2.gz ZVTZNIHWMWVUMS-MNOVXSKESA-N 1 1 324.385 -1.799 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001410146417 925694846 /nfs/dbraw/zinc/69/48/46/925694846.db2.gz PYQQOQJARCZAPC-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410153605 925696181 /nfs/dbraw/zinc/69/61/81/925696181.db2.gz VLOTUZJBAWEBPT-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001410153615 925696465 /nfs/dbraw/zinc/69/64/65/925696465.db2.gz VLOTUZJBAWEBPT-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410150693 925696516 /nfs/dbraw/zinc/69/65/16/925696516.db2.gz ZRAGFEJRPHFZOW-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410155440 925697452 /nfs/dbraw/zinc/69/74/52/925697452.db2.gz XBESKPXCUSRQTK-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410175146 925699344 /nfs/dbraw/zinc/69/93/44/925699344.db2.gz KPGYFQAAUBSQDB-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410175146 925699347 /nfs/dbraw/zinc/69/93/47/925699347.db2.gz KPGYFQAAUBSQDB-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2)S(C)(=O)=O ZINC001410169745 925699614 /nfs/dbraw/zinc/69/96/14/925699614.db2.gz FXIRAKZPMCAJPD-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001410262503 925706569 /nfs/dbraw/zinc/70/65/69/925706569.db2.gz FSUXDVJTPIVRCU-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001410259596 925706623 /nfs/dbraw/zinc/70/66/23/925706623.db2.gz NABJDJAVWSWHAW-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001410251977 925706642 /nfs/dbraw/zinc/70/66/42/925706642.db2.gz NCNNMAUTZBQNBC-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(=O)n(C)n1 ZINC001410293347 925707098 /nfs/dbraw/zinc/70/70/98/925707098.db2.gz CBLBXVPHYIMXHJ-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410313515 925709582 /nfs/dbraw/zinc/70/95/82/925709582.db2.gz HZHHPCPVMWSRMX-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410313515 925709587 /nfs/dbraw/zinc/70/95/87/925709587.db2.gz HZHHPCPVMWSRMX-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410313521 925709905 /nfs/dbraw/zinc/70/99/05/925709905.db2.gz HZHHPCPVMWSRMX-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410313521 925709909 /nfs/dbraw/zinc/70/99/09/925709909.db2.gz HZHHPCPVMWSRMX-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410336181 925711578 /nfs/dbraw/zinc/71/15/78/925711578.db2.gz WXZZSMIGLFLGBY-QJPTWQEYSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410336181 925711590 /nfs/dbraw/zinc/71/15/90/925711590.db2.gz WXZZSMIGLFLGBY-QJPTWQEYSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410331593 925711997 /nfs/dbraw/zinc/71/19/97/925711997.db2.gz IULAOSCZRJQDBY-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410331593 925712001 /nfs/dbraw/zinc/71/20/01/925712001.db2.gz IULAOSCZRJQDBY-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410330909 925712014 /nfs/dbraw/zinc/71/20/14/925712014.db2.gz GVFXTJFJRCEIMG-WCBMZHEXSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410330909 925712020 /nfs/dbraw/zinc/71/20/20/925712020.db2.gz GVFXTJFJRCEIMG-WCBMZHEXSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C ZINC001410390413 925714240 /nfs/dbraw/zinc/71/42/40/925714240.db2.gz WLFOFZJTYWEVNT-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001410374411 925714852 /nfs/dbraw/zinc/71/48/52/925714852.db2.gz CPCPPKWRPBSHBT-SNVBAGLBSA-N 1 1 311.342 -1.135 20 0 DAADMO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001410378414 925714886 /nfs/dbraw/zinc/71/48/86/925714886.db2.gz LYCFDSCIKQJCIW-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001410423037 925719122 /nfs/dbraw/zinc/71/91/22/925719122.db2.gz ZQXKPYRKEZZCCP-WCBMZHEXSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CCN1CCNC1=O ZINC001410471505 925722022 /nfs/dbraw/zinc/72/20/22/925722022.db2.gz GEZPHRPLFLNOJA-SNVBAGLBSA-N 1 1 309.374 -1.191 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1cc(C)no1 ZINC001410514360 925722677 /nfs/dbraw/zinc/72/26/77/925722677.db2.gz GHALTQRAFXKXQN-SECBINFHSA-N 1 1 300.315 -1.365 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001410541432 925725314 /nfs/dbraw/zinc/72/53/14/925725314.db2.gz BXLPSTGCCKJWMD-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001410540337 925725447 /nfs/dbraw/zinc/72/54/47/925725447.db2.gz AUXLHZDWAVJWJW-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001410562545 925726962 /nfs/dbraw/zinc/72/69/62/925726962.db2.gz RGEXLXBMFJBDON-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001410561456 925727052 /nfs/dbraw/zinc/72/70/52/925727052.db2.gz QRCTXRFBEWDTBE-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001410562549 925727449 /nfs/dbraw/zinc/72/74/49/925727449.db2.gz RGEXLXBMFJBDON-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410572347 925730864 /nfs/dbraw/zinc/73/08/64/925730864.db2.gz COEFUSFFURUWBE-MRVPVSSYSA-N 1 1 316.401 -2.858 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCCC1=O ZINC001410579285 925732483 /nfs/dbraw/zinc/73/24/83/925732483.db2.gz SWTFFMFHCIDRAG-LBPRGKRZSA-N 1 1 321.381 -1.026 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1)C1CCC1 ZINC001410582799 925733210 /nfs/dbraw/zinc/73/32/10/925733210.db2.gz CJJGNJBMTNJNTB-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410595016 925736658 /nfs/dbraw/zinc/73/66/58/925736658.db2.gz XIXRMWIVWJACKG-QMMMGPOBSA-N 1 1 322.412 -1.542 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410595010 925737439 /nfs/dbraw/zinc/73/74/39/925737439.db2.gz XIXRMWIVWJACKG-MRVPVSSYSA-N 1 1 322.412 -1.542 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001410610214 925738263 /nfs/dbraw/zinc/73/82/63/925738263.db2.gz BDNVYDBTMJWZMH-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001410599252 925739018 /nfs/dbraw/zinc/73/90/18/925739018.db2.gz REDWCQKUSCHGNQ-BXUZGUMPSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001410604998 925739219 /nfs/dbraw/zinc/73/92/19/925739219.db2.gz XSNMSLLBKLVRDZ-DGCLKSJQSA-N 1 1 323.397 -1.004 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001410605924 925739294 /nfs/dbraw/zinc/73/92/94/925739294.db2.gz JRHDIHUTIRDDKE-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001410605035 925739335 /nfs/dbraw/zinc/73/93/35/925739335.db2.gz XSNMSLLBKLVRDZ-YPMHNXCESA-N 1 1 323.397 -1.004 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001410615610 925740480 /nfs/dbraw/zinc/74/04/80/925740480.db2.gz FGSIIACCWDYKSK-GZMMTYOYSA-N 1 1 313.333 -1.156 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001410619684 925741015 /nfs/dbraw/zinc/74/10/15/925741015.db2.gz AQXHYAJXCFUCMM-LLVKDONJSA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001410627628 925741879 /nfs/dbraw/zinc/74/18/79/925741879.db2.gz GRLFHEBUQUOUKU-KOLCDFICSA-N 1 1 309.326 -1.540 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001410624720 925742054 /nfs/dbraw/zinc/74/20/54/925742054.db2.gz PBOSFLZNZBRRFK-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001410627613 925742998 /nfs/dbraw/zinc/74/29/98/925742998.db2.gz GRLFHEBUQUOUKU-GXSJLCMTSA-N 1 1 309.326 -1.540 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001410643068 925746669 /nfs/dbraw/zinc/74/66/69/925746669.db2.gz PBRQYFOSHNKHIM-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1CCC2 ZINC001410667496 925753029 /nfs/dbraw/zinc/75/30/29/925753029.db2.gz LFHMYXZZLSFZBH-VIFPVBQESA-N 1 1 319.369 -1.093 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001410682241 925754938 /nfs/dbraw/zinc/75/49/38/925754938.db2.gz PQGUKVVUNMSDTD-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001410676222 925755222 /nfs/dbraw/zinc/75/52/22/925755222.db2.gz KRBDMPKNPNUHET-OCCSQVGLSA-N 1 1 314.430 -1.128 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001410683430 925756442 /nfs/dbraw/zinc/75/64/42/925756442.db2.gz IFTHBZNXIQLAGI-VIFPVBQESA-N 1 1 321.337 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001410700790 925761759 /nfs/dbraw/zinc/76/17/59/925761759.db2.gz XAMLFVAYCDXLBP-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001410710401 925762743 /nfs/dbraw/zinc/76/27/43/925762743.db2.gz NCRJLSBNKBCBIO-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO CCn1ncc(CN[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001410709172 925763810 /nfs/dbraw/zinc/76/38/10/925763810.db2.gz RCRJMXTUGHHROF-QWHCGFSZSA-N 1 1 310.402 -1.041 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410708551 925764076 /nfs/dbraw/zinc/76/40/76/925764076.db2.gz QBLDRPUBBGCEGP-CMPLNLGQSA-N 1 1 323.397 -1.093 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001410714951 925765503 /nfs/dbraw/zinc/76/55/03/925765503.db2.gz AWISZFLJRSUEKG-GHMZBOCLSA-N 1 1 308.342 -1.967 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001410722612 925766608 /nfs/dbraw/zinc/76/66/08/925766608.db2.gz JVIZKVPXSCOUKQ-LLVKDONJSA-N 1 1 307.358 -1.170 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001410723958 925766948 /nfs/dbraw/zinc/76/69/48/925766948.db2.gz JWFNXOMUAHSENS-ZYHUDNBSSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001410728742 925767090 /nfs/dbraw/zinc/76/70/90/925767090.db2.gz KFDGSMWJOYBMQH-DTWKUNHWSA-N 1 1 303.363 -2.412 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001410728746 925769575 /nfs/dbraw/zinc/76/95/75/925769575.db2.gz KFDGSMWJOYBMQH-IUCAKERBSA-N 1 1 303.363 -2.412 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)nn1 ZINC001410769617 925775935 /nfs/dbraw/zinc/77/59/35/925775935.db2.gz ILRUWALPDCZGGZ-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001410766252 925776309 /nfs/dbraw/zinc/77/63/09/925776309.db2.gz FZCRNDRDNJIELF-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001410771218 925776604 /nfs/dbraw/zinc/77/66/04/925776604.db2.gz LSSQQZXZQHVIKV-JQWIXIFHSA-N 1 1 309.370 -1.345 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001410779325 925777158 /nfs/dbraw/zinc/77/71/58/925777158.db2.gz SGZUXVRMVUWDIQ-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001410775848 925777363 /nfs/dbraw/zinc/77/73/63/925777363.db2.gz AJZZRDWDOVXIAY-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775848 925777367 /nfs/dbraw/zinc/77/73/67/925777367.db2.gz AJZZRDWDOVXIAY-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(C(N)=O)c2)n1 ZINC001410783775 925780473 /nfs/dbraw/zinc/78/04/73/925780473.db2.gz JIEPOXMIECYDTF-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)nn1C ZINC001410783367 925780614 /nfs/dbraw/zinc/78/06/14/925780614.db2.gz WLZOGIUKAMEPOR-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001410787389 925782831 /nfs/dbraw/zinc/78/28/31/925782831.db2.gz WUPOJFCRLORGGD-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001410797552 925784472 /nfs/dbraw/zinc/78/44/72/925784472.db2.gz IMULQJHKUBMMAB-ZJUUUORDSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001410817455 925786148 /nfs/dbraw/zinc/78/61/48/925786148.db2.gz VYDIPYSSKSLBNZ-UONOGXRCSA-N 1 1 323.397 -1.002 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2ccnc2)nn1 ZINC001410829997 925788332 /nfs/dbraw/zinc/78/83/32/925788332.db2.gz YLORJDKKRMOPFT-GFCCVEGCSA-N 1 1 320.353 -1.051 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001410843150 925788481 /nfs/dbraw/zinc/78/84/81/925788481.db2.gz QFJFDTRMWDQVLD-IUCAKERBSA-N 1 1 311.346 -1.355 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001410833701 925789258 /nfs/dbraw/zinc/78/92/58/925789258.db2.gz FOSKDJKJGOOFDJ-WCBMZHEXSA-N 1 1 308.342 -1.274 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)CCNC(N)=O)C1 ZINC001410879305 925792225 /nfs/dbraw/zinc/79/22/25/925792225.db2.gz FTISMSZVFFQEQP-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001410907719 925793533 /nfs/dbraw/zinc/79/35/33/925793533.db2.gz BPSWQVBUMNYXPL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001410907719 925793543 /nfs/dbraw/zinc/79/35/43/925793543.db2.gz BPSWQVBUMNYXPL-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001410925413 925793828 /nfs/dbraw/zinc/79/38/28/925793828.db2.gz NPCLRWOSWLFKDH-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001410925413 925793837 /nfs/dbraw/zinc/79/38/37/925793837.db2.gz NPCLRWOSWLFKDH-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001410925410 925794254 /nfs/dbraw/zinc/79/42/54/925794254.db2.gz NPCLRWOSWLFKDH-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001410925410 925794263 /nfs/dbraw/zinc/79/42/63/925794263.db2.gz NPCLRWOSWLFKDH-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001410930736 925795948 /nfs/dbraw/zinc/79/59/48/925795948.db2.gz STRJZFJRTGOKKV-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001410930736 925795953 /nfs/dbraw/zinc/79/59/53/925795953.db2.gz STRJZFJRTGOKKV-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccc(=O)[nH]n1 ZINC001410965798 925796302 /nfs/dbraw/zinc/79/63/02/925796302.db2.gz AQQTXCZSLSWKRR-SECBINFHSA-N 1 1 308.298 -1.212 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1COCCO1 ZINC001410972483 925796765 /nfs/dbraw/zinc/79/67/65/925796765.db2.gz GLHHDWIKTRDDJX-WDEREUQCSA-N 1 1 300.315 -1.606 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccn(C)n1)C(=O)CS(C)(=O)=O ZINC001410967000 925797008 /nfs/dbraw/zinc/79/70/08/925797008.db2.gz BOHCIWKPEHVSNV-LLVKDONJSA-N 1 1 318.399 -1.626 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001410968927 925797333 /nfs/dbraw/zinc/79/73/33/925797333.db2.gz CUVNOQOPQJZJDH-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cscn1)C(=O)Cn1cnnn1 ZINC001410971939 925797801 /nfs/dbraw/zinc/79/78/01/925797801.db2.gz GAFKDVWCLWUWDY-JTQLQIEISA-N 1 1 311.371 -1.261 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)cn1 ZINC001410967247 925797831 /nfs/dbraw/zinc/79/78/31/925797831.db2.gz BINSNCJLQSTDDC-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001410986950 925798633 /nfs/dbraw/zinc/79/86/33/925798633.db2.gz PNUUIYXVEYGYLA-VIFPVBQESA-N 1 1 314.346 -1.920 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001410977638 925798744 /nfs/dbraw/zinc/79/87/44/925798744.db2.gz JXZZWFYYXIBSEU-MWLCHTKSSA-N 1 1 322.373 -1.273 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ccon1)c1nnnn1C ZINC001411000870 925801089 /nfs/dbraw/zinc/80/10/89/925801089.db2.gz ITIVJHZOQKTWTM-KOLCDFICSA-N 1 1 323.357 -1.089 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411003469 925801130 /nfs/dbraw/zinc/80/11/30/925801130.db2.gz JHSKQIFLENPGTI-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccon1)c1nnnn1C ZINC001411000840 925801764 /nfs/dbraw/zinc/80/17/64/925801764.db2.gz ITIVJHZOQKTWTM-GXSJLCMTSA-N 1 1 323.357 -1.089 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CCc1ccon1 ZINC001411042416 925803801 /nfs/dbraw/zinc/80/38/01/925803801.db2.gz AFYDBWZISDKJFI-NSHDSACASA-N 1 1 323.357 -1.260 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)[nH]1 ZINC001411044746 925804868 /nfs/dbraw/zinc/80/48/68/925804868.db2.gz PMBVBDUCMYCHDK-MNOVXSKESA-N 1 1 324.385 -1.500 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNCc1cnn(C)n1 ZINC001411057786 925806116 /nfs/dbraw/zinc/80/61/16/925806116.db2.gz WHXYSZOAMYWDRO-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNCc1cnn(C)n1 ZINC001411057784 925806215 /nfs/dbraw/zinc/80/62/15/925806215.db2.gz WHXYSZOAMYWDRO-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1nnccc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411052895 925806351 /nfs/dbraw/zinc/80/63/51/925806351.db2.gz GPEXSUHCRLTAHV-SNVBAGLBSA-N 1 1 320.357 -1.469 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn[nH]c(=O)c1 ZINC001411066012 925807253 /nfs/dbraw/zinc/80/72/53/925807253.db2.gz HMXTWMZYALLYDF-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)c1c[nH]c(=O)cn1 ZINC001411076788 925808619 /nfs/dbraw/zinc/80/86/19/925808619.db2.gz BMYNODNMXCBTIK-JTQLQIEISA-N 1 1 318.337 -1.217 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)no1 ZINC001411067389 925808796 /nfs/dbraw/zinc/80/87/96/925808796.db2.gz BJPVIPFDVLULMO-QWRGUYRKSA-N 1 1 311.342 -1.427 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001411084598 925809608 /nfs/dbraw/zinc/80/96/08/925809608.db2.gz FLKMIGNSOMEYLG-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnnn2C)nn1 ZINC001411076391 925810049 /nfs/dbraw/zinc/81/00/49/925810049.db2.gz QKIMCDLJVOTNFF-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)no1 ZINC001411067421 925810139 /nfs/dbraw/zinc/81/01/39/925810139.db2.gz BJPVIPFDVLULMO-WDEREUQCSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001411086433 925811173 /nfs/dbraw/zinc/81/11/73/925811173.db2.gz WXHLWKXSYKDHFM-LLVKDONJSA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CNC(=O)N1 ZINC001411092055 925811797 /nfs/dbraw/zinc/81/17/97/925811797.db2.gz UZCMQTSLKVSRSN-ZJUUUORDSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001411086445 925812107 /nfs/dbraw/zinc/81/21/07/925812107.db2.gz WXHLWKXSYKDHFM-NSHDSACASA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001411100350 925813390 /nfs/dbraw/zinc/81/33/90/925813390.db2.gz ICEKWGLNOINBST-CMPLNLGQSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001411118296 925813692 /nfs/dbraw/zinc/81/36/92/925813692.db2.gz PCQJZUHPXZAZFQ-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nnc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001411129613 925815489 /nfs/dbraw/zinc/81/54/89/925815489.db2.gz RTXBJBXYILOQRR-RYUDHWBXSA-N 1 1 310.402 -1.026 20 0 DAADMO CN(C[C@@H](O)CNCc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411131039 925816076 /nfs/dbraw/zinc/81/60/76/925816076.db2.gz AALCFRUSQADCIX-RYUDHWBXSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001411127118 925816417 /nfs/dbraw/zinc/81/64/17/925816417.db2.gz KPZVTULGXCLHFV-ZETCQYMHSA-N 1 1 310.301 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001411127118 925816425 /nfs/dbraw/zinc/81/64/25/925816425.db2.gz KPZVTULGXCLHFV-ZETCQYMHSA-N 1 1 310.301 -1.412 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001411127610 925816991 /nfs/dbraw/zinc/81/69/91/925816991.db2.gz OQZBBXAPMJEZQI-VIFPVBQESA-N 1 1 321.359 -2.472 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001411132498 925817742 /nfs/dbraw/zinc/81/77/42/925817742.db2.gz RMKWPKBEIASBLM-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001411132498 925817749 /nfs/dbraw/zinc/81/77/49/925817749.db2.gz RMKWPKBEIASBLM-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001411132496 925817873 /nfs/dbraw/zinc/81/78/73/925817873.db2.gz RMKWPKBEIASBLM-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001411132496 925817879 /nfs/dbraw/zinc/81/78/79/925817879.db2.gz RMKWPKBEIASBLM-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC1CC1 ZINC001411134341 925818623 /nfs/dbraw/zinc/81/86/23/925818623.db2.gz CEBONVFAKJKEKU-GFCCVEGCSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC001411134341 925818629 /nfs/dbraw/zinc/81/86/29/925818629.db2.gz CEBONVFAKJKEKU-GFCCVEGCSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001411136039 925818807 /nfs/dbraw/zinc/81/88/07/925818807.db2.gz YDVPHBLQTHSEJX-JGVFFNPUSA-N 1 1 324.328 -1.024 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148612 925820086 /nfs/dbraw/zinc/82/00/86/925820086.db2.gz IBQHBQMFDVPUJO-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001411148612 925820089 /nfs/dbraw/zinc/82/00/89/925820089.db2.gz IBQHBQMFDVPUJO-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c[nH]1 ZINC001411167773 925823697 /nfs/dbraw/zinc/82/36/97/925823697.db2.gz PTBMUJXPRMEPGA-CMPLNLGQSA-N 1 1 309.370 -1.029 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411162460 925823843 /nfs/dbraw/zinc/82/38/43/925823843.db2.gz KMROQIXSCUVBQC-WDEREUQCSA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1c[nH]cn1 ZINC001411163877 925824383 /nfs/dbraw/zinc/82/43/83/925824383.db2.gz AAAHOBDXLWQFEW-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001411169604 925824434 /nfs/dbraw/zinc/82/44/34/925824434.db2.gz MJYMKBURUNUWCU-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001411169604 925824445 /nfs/dbraw/zinc/82/44/45/925824445.db2.gz MJYMKBURUNUWCU-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001411162122 925824644 /nfs/dbraw/zinc/82/46/44/925824644.db2.gz HYJZEJIUDCEYPG-JTQLQIEISA-N 1 1 318.374 -1.643 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001411162122 925824652 /nfs/dbraw/zinc/82/46/52/925824652.db2.gz HYJZEJIUDCEYPG-JTQLQIEISA-N 1 1 318.374 -1.643 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001411166626 925824694 /nfs/dbraw/zinc/82/46/94/925824694.db2.gz WWTFVJBJEMWVKK-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001411166626 925824706 /nfs/dbraw/zinc/82/47/06/925824706.db2.gz WWTFVJBJEMWVKK-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001411166624 925824787 /nfs/dbraw/zinc/82/47/87/925824787.db2.gz WWTFVJBJEMWVKK-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001411166624 925824797 /nfs/dbraw/zinc/82/47/97/925824797.db2.gz WWTFVJBJEMWVKK-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411170468 925825384 /nfs/dbraw/zinc/82/53/84/925825384.db2.gz JHLOCDUVVRPJHV-MNOVXSKESA-N 1 1 315.374 -1.813 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163690 925825577 /nfs/dbraw/zinc/82/55/77/925825577.db2.gz MHQAZMPNLKWFPE-VHSXEESVSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163690 925825592 /nfs/dbraw/zinc/82/55/92/925825592.db2.gz MHQAZMPNLKWFPE-VHSXEESVSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccnc2ccnn21 ZINC001411164849 925826143 /nfs/dbraw/zinc/82/61/43/925826143.db2.gz BXYMGFNHUJMSBJ-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccnc2ccnn21 ZINC001411164849 925826150 /nfs/dbraw/zinc/82/61/50/925826150.db2.gz BXYMGFNHUJMSBJ-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1ncn(C)n1 ZINC001411175360 925826478 /nfs/dbraw/zinc/82/64/78/925826478.db2.gz YDFBLRDGYWKJSJ-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1ncn(C)n1 ZINC001411175360 925826481 /nfs/dbraw/zinc/82/64/81/925826481.db2.gz YDFBLRDGYWKJSJ-NSHDSACASA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177643 925826508 /nfs/dbraw/zinc/82/65/08/925826508.db2.gz DBPZLRKZWAMTMX-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001411178575 925826892 /nfs/dbraw/zinc/82/68/92/925826892.db2.gz HPJIOPXKJPZHCS-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001411178575 925826900 /nfs/dbraw/zinc/82/69/00/925826900.db2.gz HPJIOPXKJPZHCS-QWRGUYRKSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cncn1C ZINC001411179337 925827080 /nfs/dbraw/zinc/82/70/80/925827080.db2.gz DWJFXUBIMLGDTQ-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cncn1C ZINC001411179337 925827090 /nfs/dbraw/zinc/82/70/90/925827090.db2.gz DWJFXUBIMLGDTQ-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001411171765 925827109 /nfs/dbraw/zinc/82/71/09/925827109.db2.gz ZODCOBGAMNZUND-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001411171765 925827118 /nfs/dbraw/zinc/82/71/18/925827118.db2.gz ZODCOBGAMNZUND-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO Cc1cc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn2ncnn2)on1 ZINC001411170838 925827892 /nfs/dbraw/zinc/82/78/92/925827892.db2.gz PYUJARQLVVEYGA-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1cc(C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn2ncnn2)on1 ZINC001411170838 925827897 /nfs/dbraw/zinc/82/78/97/925827897.db2.gz PYUJARQLVVEYGA-NSHDSACASA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnon1 ZINC001411176822 925828266 /nfs/dbraw/zinc/82/82/66/925828266.db2.gz FWCLKJSMSXTQPW-SNVBAGLBSA-N 1 1 309.330 -1.274 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174038 925828695 /nfs/dbraw/zinc/82/86/95/925828695.db2.gz RLZUJPHWBRASAB-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174038 925828702 /nfs/dbraw/zinc/82/87/02/925828702.db2.gz RLZUJPHWBRASAB-UWVGGRQHSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1cnc[nH]1 ZINC001411187282 925830020 /nfs/dbraw/zinc/83/00/20/925830020.db2.gz NCBXIIXQAHIWQP-CYBMUJFWSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001411187568 925830087 /nfs/dbraw/zinc/83/00/87/925830087.db2.gz SKEIYKCRSHZFCZ-SECBINFHSA-N 1 1 314.342 -2.157 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001411191650 925830673 /nfs/dbraw/zinc/83/06/73/925830673.db2.gz QMBMYRRYLUXQFN-LLVKDONJSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001411191650 925830684 /nfs/dbraw/zinc/83/06/84/925830684.db2.gz QMBMYRRYLUXQFN-LLVKDONJSA-N 1 1 324.381 -1.504 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190830 925831264 /nfs/dbraw/zinc/83/12/64/925831264.db2.gz NOAAAPOWLLYPGU-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001411199426 925831383 /nfs/dbraw/zinc/83/13/83/925831383.db2.gz WUANBBGVNNLYJU-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001411199426 925831395 /nfs/dbraw/zinc/83/13/95/925831395.db2.gz WUANBBGVNNLYJU-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001411182871 925831853 /nfs/dbraw/zinc/83/18/53/925831853.db2.gz KEGOUILTPYXBLA-NSHDSACASA-N 1 1 312.374 -1.883 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001411182871 925831865 /nfs/dbraw/zinc/83/18/65/925831865.db2.gz KEGOUILTPYXBLA-NSHDSACASA-N 1 1 312.374 -1.883 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001411188226 925832427 /nfs/dbraw/zinc/83/24/27/925832427.db2.gz GAGUWNZMMOTAKD-RISCZKNCSA-N 1 1 301.387 -1.211 20 0 DAADMO COCC[N@@H+](CCNC(=O)C1CN(C(C)=O)C1)C[C@H](C)O ZINC001411225223 925833876 /nfs/dbraw/zinc/83/38/76/925833876.db2.gz HPVNODCXUVLNNB-NSHDSACASA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001411224317 925834704 /nfs/dbraw/zinc/83/47/04/925834704.db2.gz FMSCLCMVSJDDLA-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523917 925844973 /nfs/dbraw/zinc/84/49/73/925844973.db2.gz RIJVIWRJWULNDL-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523917 925844982 /nfs/dbraw/zinc/84/49/82/925844982.db2.gz RIJVIWRJWULNDL-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)Cn1cnnn1 ZINC001411572618 925846130 /nfs/dbraw/zinc/84/61/30/925846130.db2.gz VPYKLFFTUHBKHB-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001411581526 925846160 /nfs/dbraw/zinc/84/61/60/925846160.db2.gz ODJXFGGFNNMNEE-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001411565032 925846550 /nfs/dbraw/zinc/84/65/50/925846550.db2.gz QSENWMFXTVXADU-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001411642003 925849271 /nfs/dbraw/zinc/84/92/71/925849271.db2.gz IGBMYJGFXNOOSG-SDDRHHMPSA-N 1 1 321.385 -1.079 20 0 DAADMO Cc1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001411702181 925851564 /nfs/dbraw/zinc/85/15/64/925851564.db2.gz XXQPCIVQFRVNCD-SMDDNHRTSA-N 1 1 308.386 -1.035 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CCC(=O)N2CCC(O)CC2)C1 ZINC001411992689 925864820 /nfs/dbraw/zinc/86/48/20/925864820.db2.gz TVLOZSMKWGTMCZ-HNNXBMFYSA-N 1 1 313.398 -1.067 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC001412093951 925872826 /nfs/dbraw/zinc/87/28/26/925872826.db2.gz RWXDTORTCNRUGI-UWVGGRQHSA-N 1 1 301.343 -1.776 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC001412093951 925872833 /nfs/dbraw/zinc/87/28/33/925872833.db2.gz RWXDTORTCNRUGI-UWVGGRQHSA-N 1 1 301.343 -1.776 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001412260097 925883108 /nfs/dbraw/zinc/88/31/08/925883108.db2.gz RJQVUYXBTANOGE-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC001412377026 925889716 /nfs/dbraw/zinc/88/97/16/925889716.db2.gz FAYGTBXHLITDFP-LLVKDONJSA-N 1 1 322.369 -1.565 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[NH+](CCO)CC1 ZINC001412405050 925893752 /nfs/dbraw/zinc/89/37/52/925893752.db2.gz BJRLOIQLEOPOIG-UHFFFAOYSA-N 1 1 316.383 -1.342 20 0 DAADMO COC(=O)c1cn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001412417266 925894378 /nfs/dbraw/zinc/89/43/78/925894378.db2.gz MTVGECACDURANL-UHFFFAOYSA-N 1 1 324.341 -1.869 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001412443259 925897862 /nfs/dbraw/zinc/89/78/62/925897862.db2.gz NXSSPJUVMRQDIG-ZJUUUORDSA-N 1 1 324.341 -1.817 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412466585 925901245 /nfs/dbraw/zinc/90/12/45/925901245.db2.gz SHFLDXWDZORDSM-TVQRCGJNSA-N 1 1 302.375 -1.464 20 0 DAADMO CCc1noc(COCC(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001412467515 925901761 /nfs/dbraw/zinc/90/17/61/925901761.db2.gz VZXFAWRNCZWBEO-ZDUSSCGKSA-N 1 1 314.342 -1.384 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001412466588 925901913 /nfs/dbraw/zinc/90/19/13/925901913.db2.gz SHFLDXWDZORDSM-ZANVPECISA-N 1 1 302.375 -1.464 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001412501953 925904972 /nfs/dbraw/zinc/90/49/72/925904972.db2.gz RLTZNTRCXQFVFQ-ONGXEEELSA-N 1 1 307.354 -1.510 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514242 925906613 /nfs/dbraw/zinc/90/66/13/925906613.db2.gz JXEYPGLXLIFWHW-AMIZOPFISA-N 1 1 308.342 -1.907 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514242 925906618 /nfs/dbraw/zinc/90/66/18/925906618.db2.gz JXEYPGLXLIFWHW-AMIZOPFISA-N 1 1 308.342 -1.907 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC1 ZINC001412528700 925907158 /nfs/dbraw/zinc/90/71/58/925907158.db2.gz GXTYKCQVMPGYKA-NEPJUHHUSA-N 1 1 323.397 -1.381 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001412532099 925907507 /nfs/dbraw/zinc/90/75/07/925907507.db2.gz COVIYLYNFSAJDO-ZJUUUORDSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001412532067 925908113 /nfs/dbraw/zinc/90/81/13/925908113.db2.gz COVIYLYNFSAJDO-UWVGGRQHSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001412531984 925908667 /nfs/dbraw/zinc/90/86/67/925908667.db2.gz COVIYLYNFSAJDO-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001412521641 925908715 /nfs/dbraw/zinc/90/87/15/925908715.db2.gz WOERKOAZAFMIGV-LKFCYVNXSA-N 1 1 320.353 -1.169 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001412540204 925909204 /nfs/dbraw/zinc/90/92/04/925909204.db2.gz KWKGRDSNLKXWCJ-NSHDSACASA-N 1 1 319.369 -1.747 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001412542863 925909576 /nfs/dbraw/zinc/90/95/76/925909576.db2.gz YSNIHTILQLZDRC-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001412552396 925911828 /nfs/dbraw/zinc/91/18/28/925911828.db2.gz VRLBLPLOBDDXHO-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)C1 ZINC001412579685 925913084 /nfs/dbraw/zinc/91/30/84/925913084.db2.gz UCBRINQAGRWAKG-NEPJUHHUSA-N 1 1 313.402 -1.746 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001412570710 925913411 /nfs/dbraw/zinc/91/34/11/925913411.db2.gz CCLNNXYAWZFZJN-ADEWGFFLSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001412570710 925913430 /nfs/dbraw/zinc/91/34/30/925913430.db2.gz CCLNNXYAWZFZJN-ADEWGFFLSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001412570710 925913443 /nfs/dbraw/zinc/91/34/43/925913443.db2.gz CCLNNXYAWZFZJN-ADEWGFFLSA-N 1 1 313.402 -1.883 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001412612772 925916693 /nfs/dbraw/zinc/91/66/93/925916693.db2.gz YGGINESYUGQVAW-SNVBAGLBSA-N 1 1 322.369 -1.599 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2nnc3n2CCNC3=O)C1 ZINC001412612772 925916700 /nfs/dbraw/zinc/91/67/00/925916700.db2.gz YGGINESYUGQVAW-SNVBAGLBSA-N 1 1 322.369 -1.599 20 0 DAADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001412634312 925918284 /nfs/dbraw/zinc/91/82/84/925918284.db2.gz KKNMDYVAXOPMFB-SNVBAGLBSA-N 1 1 310.358 -1.044 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001412660943 925921134 /nfs/dbraw/zinc/92/11/34/925921134.db2.gz JNHHQIDVYUOKLY-CKYFFXLPSA-N 1 1 321.385 -1.223 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001412723342 925926704 /nfs/dbraw/zinc/92/67/04/925926704.db2.gz PYPWEKOBEBIBGY-LLVKDONJSA-N 1 1 303.384 -1.390 20 0 DAADMO Cc1nc(C(=O)N2CC([NH2+]C3COC3)C2)nn1-c1nc[nH]n1 ZINC001412724719 925927741 /nfs/dbraw/zinc/92/77/41/925927741.db2.gz WSFDCGSGEGHSAN-UHFFFAOYSA-N 1 1 304.314 -1.493 20 0 DAADMO NS(=O)(=O)N1CCC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001412739456 925931009 /nfs/dbraw/zinc/93/10/09/925931009.db2.gz SUSHGLZVWQGZPU-VIFPVBQESA-N 1 1 318.399 -1.899 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1C ZINC001412740765 925931558 /nfs/dbraw/zinc/93/15/58/925931558.db2.gz SHHYNQVHJLKWFZ-LLVKDONJSA-N 1 1 311.342 -2.079 20 0 DAADMO NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001412739430 925931812 /nfs/dbraw/zinc/93/18/12/925931812.db2.gz SUSHGLZVWQGZPU-SECBINFHSA-N 1 1 318.399 -1.899 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001412761794 925937988 /nfs/dbraw/zinc/93/79/88/925937988.db2.gz LRBOGHSCTZPTIR-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001412761794 925937995 /nfs/dbraw/zinc/93/79/95/925937995.db2.gz LRBOGHSCTZPTIR-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412771825 925940825 /nfs/dbraw/zinc/94/08/25/925940825.db2.gz BVHQYNKMEVCXIA-JQWIXIFHSA-N 1 1 309.370 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001412771878 925941586 /nfs/dbraw/zinc/94/15/86/925941586.db2.gz FMIFOXUDHSTESR-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCO1 ZINC001412775409 925942683 /nfs/dbraw/zinc/94/26/83/925942683.db2.gz SXVVBDALWAUREQ-RYUDHWBXSA-N 1 1 310.354 -1.036 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]c(=O)c1 ZINC001412786440 925946525 /nfs/dbraw/zinc/94/65/25/925946525.db2.gz CHYSQWSQDZYYTL-MNOVXSKESA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c(=O)c1 ZINC001412786446 925946947 /nfs/dbraw/zinc/94/69/47/925946947.db2.gz CHYSQWSQDZYYTL-QWRGUYRKSA-N 1 1 323.353 -1.517 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001412786938 925946995 /nfs/dbraw/zinc/94/69/95/925946995.db2.gz IDPOYWSSHKXEIM-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1cnoc1 ZINC001412789948 925947998 /nfs/dbraw/zinc/94/79/98/925947998.db2.gz GVCDCMAJYIEGHD-NEPJUHHUSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O ZINC001412792997 925949693 /nfs/dbraw/zinc/94/96/93/925949693.db2.gz KQZNJPHYXHBHNQ-MNOVXSKESA-N 1 1 301.387 -1.165 20 0 DAADMO CO[C@@]1(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795198 925950024 /nfs/dbraw/zinc/95/00/24/925950024.db2.gz MXEZKRZXLOWHEQ-NEPJUHHUSA-N 1 1 306.384 -1.627 20 0 DAADMO CO[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795198 925950032 /nfs/dbraw/zinc/95/00/32/925950032.db2.gz MXEZKRZXLOWHEQ-NEPJUHHUSA-N 1 1 306.384 -1.627 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O ZINC001412793009 925950616 /nfs/dbraw/zinc/95/06/16/925950616.db2.gz KQZNJPHYXHBHNQ-WDEREUQCSA-N 1 1 301.387 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCCF)C1 ZINC001412801282 925951227 /nfs/dbraw/zinc/95/12/27/925951227.db2.gz DOPWMBDAAKLFNY-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCCF)C1 ZINC001412801282 925951239 /nfs/dbraw/zinc/95/12/39/925951239.db2.gz DOPWMBDAAKLFNY-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001412804762 925953273 /nfs/dbraw/zinc/95/32/73/925953273.db2.gz FIRJPSYAYJIAKZ-AYGWYOGXSA-N 1 1 313.354 -1.175 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cncnc1 ZINC001412805078 925954013 /nfs/dbraw/zinc/95/40/13/925954013.db2.gz UOWNDJCRDFOLAR-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412814354 925957201 /nfs/dbraw/zinc/95/72/01/925957201.db2.gz NGEZNMFYKQCTKN-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412814354 925957211 /nfs/dbraw/zinc/95/72/11/925957211.db2.gz NGEZNMFYKQCTKN-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1ccn(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001412846301 925966089 /nfs/dbraw/zinc/96/60/89/925966089.db2.gz ANRSEQYRWMZLOX-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001412859717 925969081 /nfs/dbraw/zinc/96/90/81/925969081.db2.gz LLTDHFMPHMHZOM-LLVKDONJSA-N 1 1 320.353 -1.249 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nnc[nH]2)C1 ZINC001412854834 925969524 /nfs/dbraw/zinc/96/95/24/925969524.db2.gz WJOOGNAXCNLSAR-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854834 925969528 /nfs/dbraw/zinc/96/95/28/925969528.db2.gz WJOOGNAXCNLSAR-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854834 925969534 /nfs/dbraw/zinc/96/95/34/925969534.db2.gz WJOOGNAXCNLSAR-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC001412863493 925970486 /nfs/dbraw/zinc/97/04/86/925970486.db2.gz PUDONVOSFOROND-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)C2 ZINC001412861834 925970652 /nfs/dbraw/zinc/97/06/52/925970652.db2.gz ZTHAPNMQHSHEOH-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864156 925970692 /nfs/dbraw/zinc/97/06/92/925970692.db2.gz ICXWPWMTBOTLFB-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864156 925970698 /nfs/dbraw/zinc/97/06/98/925970698.db2.gz ICXWPWMTBOTLFB-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001412861348 925971552 /nfs/dbraw/zinc/97/15/52/925971552.db2.gz NCLRMNRFRNGNHY-VIFPVBQESA-N 1 1 308.298 -1.518 20 0 DAADMO Cc1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC001412863492 925971940 /nfs/dbraw/zinc/97/19/40/925971940.db2.gz PUDONVOSFOROND-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)C)C1 ZINC001412861800 925971981 /nfs/dbraw/zinc/97/19/81/925971981.db2.gz DQXQWARYOJSEMP-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)C)C1 ZINC001412861800 925971985 /nfs/dbraw/zinc/97/19/85/925971985.db2.gz DQXQWARYOJSEMP-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnon2)CC[N@H+]1C ZINC001412866485 925972674 /nfs/dbraw/zinc/97/26/74/925972674.db2.gz LESOWDOTCCYYTN-KXUCPTDWSA-N 1 1 311.342 -1.383 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)COC)CC[N@H+]1C ZINC001412875659 925974391 /nfs/dbraw/zinc/97/43/91/925974391.db2.gz ZMWTVTFTFFCLRO-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001412876391 925974833 /nfs/dbraw/zinc/97/48/33/925974833.db2.gz RILVLPVOFLKDOX-GXSJLCMTSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001412890404 925976919 /nfs/dbraw/zinc/97/69/19/925976919.db2.gz AJPJKFFPCZPOMQ-MWLCHTKSSA-N 1 1 311.342 -1.239 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001412905162 925980251 /nfs/dbraw/zinc/98/02/51/925980251.db2.gz ICYGAAHVKHLVER-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001412910820 925981299 /nfs/dbraw/zinc/98/12/99/925981299.db2.gz XNYXTXCXDSZOLT-AVGNSLFASA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1ccnc1 ZINC001412914437 925983060 /nfs/dbraw/zinc/98/30/60/925983060.db2.gz GZYQKQCZSHBZBY-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412941243 925988296 /nfs/dbraw/zinc/98/82/96/925988296.db2.gz WVSQESAOCFIGLC-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO CN(Cc1nnc2n1CCOC2)C[C@H](O)C[NH+]1CCOCC1 ZINC001412948403 925989594 /nfs/dbraw/zinc/98/95/94/925989594.db2.gz PJNKMVPPKLIAGD-LBPRGKRZSA-N 1 1 311.386 -1.067 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1[nH]ncc1F ZINC001412976695 925997534 /nfs/dbraw/zinc/99/75/34/925997534.db2.gz BBNDIQAQZJEZGH-MRVPVSSYSA-N 1 1 301.322 -1.293 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)c1[nH]ncc1F ZINC001412976699 925997739 /nfs/dbraw/zinc/99/77/39/925997739.db2.gz BBNDIQAQZJEZGH-QMMMGPOBSA-N 1 1 301.322 -1.293 20 0 DAADMO Cc1cc(CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)[nH]n1 ZINC001412976812 925997894 /nfs/dbraw/zinc/99/78/94/925997894.db2.gz WYXSXXHWURMJGK-GFCCVEGCSA-N 1 1 311.386 -1.194 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001412986723 925998528 /nfs/dbraw/zinc/99/85/28/925998528.db2.gz RVTVVVINSKWPQK-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO COC[C@@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001412991608 925998898 /nfs/dbraw/zinc/99/88/98/925998898.db2.gz LDRYGBNMSSJBKI-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@]1(CO)CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001412991608 925998904 /nfs/dbraw/zinc/99/89/04/925998904.db2.gz LDRYGBNMSSJBKI-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CO ZINC001412991011 925999282 /nfs/dbraw/zinc/99/92/82/925999282.db2.gz GWAIWLXKMVRFIJ-SNVBAGLBSA-N 1 1 304.368 -1.002 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001413013446 926001421 /nfs/dbraw/zinc/00/14/21/926001421.db2.gz UHQGLOZVCJUIOC-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccnnc1 ZINC001413007448 926001904 /nfs/dbraw/zinc/00/19/04/926001904.db2.gz CAFACJHSEXMFMA-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccnnc1 ZINC001413007450 926002573 /nfs/dbraw/zinc/00/25/73/926002573.db2.gz CAFACJHSEXMFMA-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001413015853 926004218 /nfs/dbraw/zinc/00/42/18/926004218.db2.gz QAILWHYRPHQIPG-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO Cn1ccn2c(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)nnc2c1=O ZINC001413023483 926004554 /nfs/dbraw/zinc/00/45/54/926004554.db2.gz XJAPNWIIYYOAID-WDEREUQCSA-N 1 1 304.354 -1.321 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC001413029622 926005108 /nfs/dbraw/zinc/00/51/08/926005108.db2.gz QBPIEKVYFUEWHE-UHFFFAOYSA-N 1 1 313.398 -1.210 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC001413029622 926005116 /nfs/dbraw/zinc/00/51/16/926005116.db2.gz QBPIEKVYFUEWHE-UHFFFAOYSA-N 1 1 313.398 -1.210 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001413053692 926006451 /nfs/dbraw/zinc/00/64/51/926006451.db2.gz OSBZGTWYPOCSRG-RWMBFGLXSA-N 1 1 322.427 -1.240 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001413095685 926011637 /nfs/dbraw/zinc/01/16/37/926011637.db2.gz PFWMVAFDAGCBMG-NEPJUHHUSA-N 1 1 302.371 -1.069 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@H+](C)C1 ZINC001413143888 926013672 /nfs/dbraw/zinc/01/36/72/926013672.db2.gz KHYGWHQEGZCFBQ-VIFPVBQESA-N 1 1 324.337 -1.007 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)CC[N@@H+](C)C1 ZINC001413143888 926013679 /nfs/dbraw/zinc/01/36/79/926013679.db2.gz KHYGWHQEGZCFBQ-VIFPVBQESA-N 1 1 324.337 -1.007 20 0 DAADMO CN(C[C@H](O)CNC(=O)CC[NH+]1CCOCC1)C(=O)C(F)F ZINC001413179937 926014029 /nfs/dbraw/zinc/01/40/29/926014029.db2.gz CYSXVEHUVLBTLA-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn[nH]c1 ZINC001413234599 926020335 /nfs/dbraw/zinc/02/03/35/926020335.db2.gz UFTGJYNUXIXMHP-JQWIXIFHSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001413288246 926028570 /nfs/dbraw/zinc/02/85/70/926028570.db2.gz GXIJWOSBYMUHFK-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001413298354 926029718 /nfs/dbraw/zinc/02/97/18/926029718.db2.gz QDGSKTHZSUTSII-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1CO)c1ncnc2nc[nH]c21 ZINC001413326665 926036248 /nfs/dbraw/zinc/03/62/48/926036248.db2.gz MTUIVTKCJUMSRG-JTQLQIEISA-N 1 1 319.369 -1.076 20 0 DAADMO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1CO)c1ncnc2nc[nH]c21 ZINC001413326665 926036259 /nfs/dbraw/zinc/03/62/59/926036259.db2.gz MTUIVTKCJUMSRG-JTQLQIEISA-N 1 1 319.369 -1.076 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001413328769 926037340 /nfs/dbraw/zinc/03/73/40/926037340.db2.gz AGOTTWGNBNRWAJ-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328769 926037350 /nfs/dbraw/zinc/03/73/50/926037350.db2.gz AGOTTWGNBNRWAJ-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328769 926037361 /nfs/dbraw/zinc/03/73/61/926037361.db2.gz AGOTTWGNBNRWAJ-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001413330041 926037557 /nfs/dbraw/zinc/03/75/57/926037557.db2.gz DNNKGBOLWJOGHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330041 926037563 /nfs/dbraw/zinc/03/75/63/926037563.db2.gz DNNKGBOLWJOGHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330041 926037572 /nfs/dbraw/zinc/03/75/72/926037572.db2.gz DNNKGBOLWJOGHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330041 926037578 /nfs/dbraw/zinc/03/75/78/926037578.db2.gz DNNKGBOLWJOGHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330041 926037586 /nfs/dbraw/zinc/03/75/86/926037586.db2.gz DNNKGBOLWJOGHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 ZINC001413346076 926039849 /nfs/dbraw/zinc/03/98/49/926039849.db2.gz OQIYKYOYBGTXTI-BHDSKKPTSA-N 1 1 312.370 -2.122 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413342856 926040367 /nfs/dbraw/zinc/04/03/67/926040367.db2.gz IQLUKQUUUXLDBD-CHWFTXMASA-N 1 1 309.370 -2.580 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001413350906 926041440 /nfs/dbraw/zinc/04/14/40/926041440.db2.gz ANUCOBAXQMOSFM-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1nccnc1C(N)=O ZINC001413360363 926042816 /nfs/dbraw/zinc/04/28/16/926042816.db2.gz XTTNNOQJEQXMLW-UHFFFAOYSA-N 1 1 320.353 -1.579 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001413363836 926042944 /nfs/dbraw/zinc/04/29/44/926042944.db2.gz MXCILBXULCVHBR-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001413363836 926042954 /nfs/dbraw/zinc/04/29/54/926042954.db2.gz MXCILBXULCVHBR-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001413360138 926043476 /nfs/dbraw/zinc/04/34/76/926043476.db2.gz XFLXTJICDLACEO-UHFFFAOYSA-N 1 1 323.357 -2.391 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 ZINC001413376915 926046286 /nfs/dbraw/zinc/04/62/86/926046286.db2.gz KNFVMBFCWQDKLY-VXGBXAGGSA-N 1 1 322.369 -1.347 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001413392237 926048273 /nfs/dbraw/zinc/04/82/73/926048273.db2.gz LIOKOFDJDDJWRU-JHJVBQTASA-N 1 1 321.381 -1.401 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC001413410444 926049626 /nfs/dbraw/zinc/04/96/26/926049626.db2.gz WXFYMRUOKSEUCT-SNVBAGLBSA-N 1 1 316.383 -1.344 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC001413410444 926049635 /nfs/dbraw/zinc/04/96/35/926049635.db2.gz WXFYMRUOKSEUCT-SNVBAGLBSA-N 1 1 316.383 -1.344 20 0 DAADMO CN(CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1ncnc2nc[nH]c21 ZINC001413409642 926049841 /nfs/dbraw/zinc/04/98/41/926049841.db2.gz QYZADIZTJLMRGZ-SNVBAGLBSA-N 1 1 319.369 -1.076 20 0 DAADMO CN(CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1ncnc2nc[nH]c21 ZINC001413409642 926049855 /nfs/dbraw/zinc/04/98/55/926049855.db2.gz QYZADIZTJLMRGZ-SNVBAGLBSA-N 1 1 319.369 -1.076 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCCS1(=O)=O ZINC001413425546 926051974 /nfs/dbraw/zinc/05/19/74/926051974.db2.gz WZOTURANYDYOII-NWDGAFQWSA-N 1 1 306.384 -1.579 20 0 DAADMO CO[C@@]1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCS(=O)(=O)C1 ZINC001413418406 926052293 /nfs/dbraw/zinc/05/22/93/926052293.db2.gz FQVMLQPCNHSMIA-NEPJUHHUSA-N 1 1 322.383 -2.343 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001413522281 926061611 /nfs/dbraw/zinc/06/16/11/926061611.db2.gz GSRJOFADXCSAJX-DMDPSCGWSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)C[C@@H](O)CNC2=O)N1CC[NH+](C)CC1 ZINC001413556988 926063384 /nfs/dbraw/zinc/06/33/84/926063384.db2.gz GKPXSONTPMTVCB-NWDGAFQWSA-N 1 1 310.398 -1.668 20 0 DAADMO C[C@H](O)c1cn(CC(=O)N2CCN(C3C[NH+](C)C3)CC2)nn1 ZINC001413545491 926063441 /nfs/dbraw/zinc/06/34/41/926063441.db2.gz IZRPRPYJPSZLAI-NSHDSACASA-N 1 1 308.386 -1.210 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587360 926064210 /nfs/dbraw/zinc/06/42/10/926064210.db2.gz HGWRKOHEDHKVAC-MWLCHTKSSA-N 1 1 305.400 -1.231 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587360 926064215 /nfs/dbraw/zinc/06/42/15/926064215.db2.gz HGWRKOHEDHKVAC-MWLCHTKSSA-N 1 1 305.400 -1.231 20 0 DAADMO Cn1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C(N)=O)n1 ZINC001413633752 926068421 /nfs/dbraw/zinc/06/84/21/926068421.db2.gz PUQXRVDHLVQUDE-DTWKUNHWSA-N 1 1 308.342 -1.198 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@]2(C)CCNC2=O)CC1 ZINC001413683764 926069902 /nfs/dbraw/zinc/06/99/02/926069902.db2.gz KOEDPBNTZAOYBH-CQSZACIVSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[C@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001413685418 926070480 /nfs/dbraw/zinc/07/04/80/926070480.db2.gz MVGBYILQJMXZGO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001413727460 926072341 /nfs/dbraw/zinc/07/23/41/926072341.db2.gz LYRYGFWOXZAMTP-AVGNSLFASA-N 1 1 324.385 -1.199 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC001413734074 926072819 /nfs/dbraw/zinc/07/28/19/926072819.db2.gz ZQHHQFMQIXZQFE-VXGBXAGGSA-N 1 1 314.386 -1.402 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N2CC([NH2+]C3COC3)C2)ccn1 ZINC001413734240 926072989 /nfs/dbraw/zinc/07/29/89/926072989.db2.gz YWPPTNLXIPPAMO-UHFFFAOYSA-N 1 1 312.351 -1.458 20 0 DAADMO COC(=O)c1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)on1 ZINC001413812597 926078239 /nfs/dbraw/zinc/07/82/39/926078239.db2.gz LCJMTORHHKYZIY-UHFFFAOYSA-N 1 1 310.310 -1.035 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001413846059 926079710 /nfs/dbraw/zinc/07/97/10/926079710.db2.gz DMQVHGDTNHIZMA-GFCCVEGCSA-N 1 1 318.443 -1.369 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001413846068 926079748 /nfs/dbraw/zinc/07/97/48/926079748.db2.gz DMQVHGDTNHIZMA-LBPRGKRZSA-N 1 1 318.443 -1.369 20 0 DAADMO CN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001413977473 926092890 /nfs/dbraw/zinc/09/28/90/926092890.db2.gz KROXRYZPZFKCMO-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3CCC[C@H](OCCO)C3)cc2=O)[nH]1 ZINC001413982060 926093053 /nfs/dbraw/zinc/09/30/53/926093053.db2.gz JATVWYYFMHCVCD-JTQLQIEISA-N 1 1 308.342 -1.027 20 0 DAADMO Nc1nn2c(nc(C[N@@H+](CCO)C3CCOCC3)cc2=O)[nH]1 ZINC001413984853 926094236 /nfs/dbraw/zinc/09/42/36/926094236.db2.gz ZXVVBEKZNHDETC-UHFFFAOYSA-N 1 1 308.342 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001413986775 926094651 /nfs/dbraw/zinc/09/46/51/926094651.db2.gz UWINIOQAASRLES-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO NC(=O)C1([NH2+]C[C@@H](O)C(F)(F)F)CCS(=O)(=O)CC1 ZINC001414024972 926095302 /nfs/dbraw/zinc/09/53/02/926095302.db2.gz FBKXICYAQBOPAW-ZCFIWIBFSA-N 1 1 304.290 -1.068 20 0 DAADMO NC(=O)C1([NH2+]C[C@H](O)C(F)(F)F)CCS(=O)(=O)CC1 ZINC001414024971 926095701 /nfs/dbraw/zinc/09/57/01/926095701.db2.gz FBKXICYAQBOPAW-LURJTMIESA-N 1 1 304.290 -1.068 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001414033274 926097012 /nfs/dbraw/zinc/09/70/12/926097012.db2.gz MPDQPXBARAMOLR-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001414033274 926097024 /nfs/dbraw/zinc/09/70/24/926097024.db2.gz MPDQPXBARAMOLR-WOPDTQHZSA-N 1 1 315.370 -1.959 20 0 DAADMO O=S1(=O)C[C@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]2C1 ZINC001414032948 926097394 /nfs/dbraw/zinc/09/73/94/926097394.db2.gz FIDYMHJHZPKUEC-YVECIDJPSA-N 1 1 305.396 -1.135 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]2C1 ZINC001414032948 926097400 /nfs/dbraw/zinc/09/74/00/926097400.db2.gz FIDYMHJHZPKUEC-YVECIDJPSA-N 1 1 305.396 -1.135 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001414039382 926099729 /nfs/dbraw/zinc/09/97/29/926099729.db2.gz XTYLXLHGULLOGJ-GRYCIOLGSA-N 1 1 308.400 -1.501 20 0 DAADMO NS(=O)(=O)C[C@@H]1CC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001414039399 926099759 /nfs/dbraw/zinc/09/97/59/926099759.db2.gz XTYLXLHGULLOGJ-UTUOFQBUSA-N 1 1 308.400 -1.501 20 0 DAADMO CNS(=O)(=O)CCN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001414042086 926100545 /nfs/dbraw/zinc/10/05/45/926100545.db2.gz HECLBWYLEWFGIF-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO CNS(=O)(=O)CCN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001414042086 926100549 /nfs/dbraw/zinc/10/05/49/926100549.db2.gz HECLBWYLEWFGIF-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001414054391 926103776 /nfs/dbraw/zinc/10/37/76/926103776.db2.gz BXGAPPKLXNGODU-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO CS(=O)(=O)CC1(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001414082888 926105161 /nfs/dbraw/zinc/10/51/61/926105161.db2.gz LAKZWXOJKFLPEB-UHFFFAOYSA-N 1 1 301.372 -1.322 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001414095085 926105306 /nfs/dbraw/zinc/10/53/06/926105306.db2.gz BMHHBVQGTDEKCM-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CCN1C(=O)CNC(N)=O ZINC001414133910 926107076 /nfs/dbraw/zinc/10/70/76/926107076.db2.gz AFIQGWKLTXUMLY-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1nc(CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)no1 ZINC001414295008 926116399 /nfs/dbraw/zinc/11/63/99/926116399.db2.gz TYNUUGNJNLLUJJ-VHSXEESVSA-N 1 1 302.356 -1.041 20 0 DAADMO Cc1nc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)no1 ZINC001414295008 926116405 /nfs/dbraw/zinc/11/64/05/926116405.db2.gz TYNUUGNJNLLUJJ-VHSXEESVSA-N 1 1 302.356 -1.041 20 0 DAADMO CC[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)NC ZINC001414525609 926128269 /nfs/dbraw/zinc/12/82/69/926128269.db2.gz LYUCLGWZVZSZJA-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H](CO)c2ncc[nH]2)CC1 ZINC001414526138 926130554 /nfs/dbraw/zinc/13/05/54/926130554.db2.gz OHTAETYHYFKXSV-NSHDSACASA-N 1 1 324.385 -1.094 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001414553834 926132062 /nfs/dbraw/zinc/13/20/62/926132062.db2.gz GBMWWBJKDVAYMZ-NWDGAFQWSA-N 1 1 312.418 -1.055 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001414558568 926132495 /nfs/dbraw/zinc/13/24/95/926132495.db2.gz SYRGSOFJPULWRM-VXGBXAGGSA-N 1 1 322.417 -1.077 20 0 DAADMO C[C@@H](NC(=O)N(C)CCS(N)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC001414572728 926133345 /nfs/dbraw/zinc/13/33/45/926133345.db2.gz JOQLENAIXPUACV-ZJUUUORDSA-N 1 1 308.404 -1.365 20 0 DAADMO C[C@@H](NC(=O)N(C)CCS(N)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001414572728 926133351 /nfs/dbraw/zinc/13/33/51/926133351.db2.gz JOQLENAIXPUACV-ZJUUUORDSA-N 1 1 308.404 -1.365 20 0 DAADMO COC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001414567294 926133389 /nfs/dbraw/zinc/13/33/89/926133389.db2.gz CNIAHEMJQJRWIE-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CS(=O)(=O)N1CC(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001414619514 926137347 /nfs/dbraw/zinc/13/73/47/926137347.db2.gz SUDDLLWTWRPWEH-LLVKDONJSA-N 1 1 320.415 -1.756 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC001414730920 926142967 /nfs/dbraw/zinc/14/29/67/926142967.db2.gz KIJZJZWVLWXTLR-JTQLQIEISA-N 1 1 305.400 -1.071 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001414800104 926148702 /nfs/dbraw/zinc/14/87/02/926148702.db2.gz SYUOMDDJDRZXNN-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)CNC(N)=O)C1CC1 ZINC001414840945 926150566 /nfs/dbraw/zinc/15/05/66/926150566.db2.gz DINVQOHGYGSIJS-QWRGUYRKSA-N 1 1 311.386 -1.240 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001415047900 926157469 /nfs/dbraw/zinc/15/74/69/926157469.db2.gz BMHXOQASZRHESU-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001415047900 926157473 /nfs/dbraw/zinc/15/74/73/926157473.db2.gz BMHXOQASZRHESU-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COC)C1 ZINC001415057141 926157631 /nfs/dbraw/zinc/15/76/31/926157631.db2.gz VOMLPXYTXDZHRX-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COC)C1 ZINC001415057141 926157638 /nfs/dbraw/zinc/15/76/38/926157638.db2.gz VOMLPXYTXDZHRX-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COC)C1 ZINC001415057137 926158091 /nfs/dbraw/zinc/15/80/91/926158091.db2.gz VOMLPXYTXDZHRX-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COC)C1 ZINC001415057137 926158097 /nfs/dbraw/zinc/15/80/97/926158097.db2.gz VOMLPXYTXDZHRX-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415147565 926165731 /nfs/dbraw/zinc/16/57/31/926165731.db2.gz INFAOSPYNXCBDK-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001415155358 926165742 /nfs/dbraw/zinc/16/57/42/926165742.db2.gz OACNFAMDEBPXPF-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001415155358 926165746 /nfs/dbraw/zinc/16/57/46/926165746.db2.gz OACNFAMDEBPXPF-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001415391163 926178845 /nfs/dbraw/zinc/17/88/45/926178845.db2.gz SCEKWKPJPSHFNP-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415446310 926181757 /nfs/dbraw/zinc/18/17/57/926181757.db2.gz ZHDSFXWUYGINHE-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415446310 926181759 /nfs/dbraw/zinc/18/17/59/926181759.db2.gz ZHDSFXWUYGINHE-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1 ZINC001415464155 926183589 /nfs/dbraw/zinc/18/35/89/926183589.db2.gz DQZXJKXHASXDJM-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1 ZINC001415464155 926183592 /nfs/dbraw/zinc/18/35/92/926183592.db2.gz DQZXJKXHASXDJM-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1 ZINC001415464154 926183783 /nfs/dbraw/zinc/18/37/83/926183783.db2.gz DQZXJKXHASXDJM-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1 ZINC001415464154 926183790 /nfs/dbraw/zinc/18/37/90/926183790.db2.gz DQZXJKXHASXDJM-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CNC(=O)N1 ZINC001415468868 926184603 /nfs/dbraw/zinc/18/46/03/926184603.db2.gz HTYXKIGMSXYXTP-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CNC(=O)N1 ZINC001415468868 926184609 /nfs/dbraw/zinc/18/46/09/926184609.db2.gz HTYXKIGMSXYXTP-UWVGGRQHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@]12C[C@H]1COC2 ZINC001415471127 926184907 /nfs/dbraw/zinc/18/49/07/926184907.db2.gz VCOOAMNCNJZIHM-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@]12C[C@H]1COC2 ZINC001415471127 926184917 /nfs/dbraw/zinc/18/49/17/926184917.db2.gz VCOOAMNCNJZIHM-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)c1cn(C)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415476041 926185453 /nfs/dbraw/zinc/18/54/53/926185453.db2.gz WWWZCBWPABWPGD-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cn(C)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415476041 926185457 /nfs/dbraw/zinc/18/54/57/926185457.db2.gz WWWZCBWPABWPGD-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@]12C[C@H]1COC2 ZINC001415471126 926185577 /nfs/dbraw/zinc/18/55/77/926185577.db2.gz VCOOAMNCNJZIHM-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@]12C[C@H]1COC2 ZINC001415471126 926185580 /nfs/dbraw/zinc/18/55/80/926185580.db2.gz VCOOAMNCNJZIHM-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CN(C)CCO1 ZINC001415504252 926187889 /nfs/dbraw/zinc/18/78/89/926187889.db2.gz XSDXRCBJTFIMOX-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)c1ccn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415500140 926188257 /nfs/dbraw/zinc/18/82/57/926188257.db2.gz JQQKCEALCMCACV-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1ccn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415500140 926188266 /nfs/dbraw/zinc/18/82/66/926188266.db2.gz JQQKCEALCMCACV-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)Cn2ncnn2)CC[N@H+]1C ZINC001415505214 926188984 /nfs/dbraw/zinc/18/89/84/926188984.db2.gz LSQKHCCCNAWIGZ-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001415519402 926189776 /nfs/dbraw/zinc/18/97/76/926189776.db2.gz RGJUCKXVRGIBMJ-UHFFFAOYSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001415514268 926190169 /nfs/dbraw/zinc/19/01/69/926190169.db2.gz OQNSKOBXVNFEMS-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001415514268 926190180 /nfs/dbraw/zinc/19/01/80/926190180.db2.gz OQNSKOBXVNFEMS-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)CNC(N)=O)CC[N@H+]1C ZINC001415589863 926196297 /nfs/dbraw/zinc/19/62/97/926196297.db2.gz VMPVONMNQSDDLD-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(Cn1cnnn1)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC001415807918 926204705 /nfs/dbraw/zinc/20/47/05/926204705.db2.gz JIOIYPXMFPODKQ-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO C[C@H](CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415977791 926211955 /nfs/dbraw/zinc/21/19/55/926211955.db2.gz KDMLHGQNOPUXJM-KOLCDFICSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001415988364 926213254 /nfs/dbraw/zinc/21/32/54/926213254.db2.gz IIKVVHNPDMNGTD-ZJUUUORDSA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001416005746 926216312 /nfs/dbraw/zinc/21/63/12/926216312.db2.gz NFEUSIQTBXRSBL-UHFFFAOYSA-N 1 1 310.358 -1.349 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC001416049366 926222288 /nfs/dbraw/zinc/22/22/88/926222288.db2.gz FETSHKVNCHLHQG-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001416048960 926222565 /nfs/dbraw/zinc/22/25/65/926222565.db2.gz ASOLHKNJWOEASI-UHFFFAOYSA-N 1 1 310.358 -1.348 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001416113306 926227953 /nfs/dbraw/zinc/22/79/53/926227953.db2.gz PACMLQRWIUGAMT-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416216378 926233379 /nfs/dbraw/zinc/23/33/79/926233379.db2.gz KLOYTNSNSRGFFF-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416216378 926233389 /nfs/dbraw/zinc/23/33/89/926233389.db2.gz KLOYTNSNSRGFFF-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416216375 926233635 /nfs/dbraw/zinc/23/36/35/926233635.db2.gz KLOYTNSNSRGFFF-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416216375 926233640 /nfs/dbraw/zinc/23/36/40/926233640.db2.gz KLOYTNSNSRGFFF-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001416226340 926235022 /nfs/dbraw/zinc/23/50/22/926235022.db2.gz VAKALJCVVIMCMU-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001416226308 926235578 /nfs/dbraw/zinc/23/55/78/926235578.db2.gz UHTCRHJIJSFOFK-GHMZBOCLSA-N 1 1 322.369 -1.116 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cccn1 ZINC001416730101 926252763 /nfs/dbraw/zinc/25/27/63/926252763.db2.gz JUNGCIQYZWTCNX-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001416733329 926254330 /nfs/dbraw/zinc/25/43/30/926254330.db2.gz FOFIUJJHFKEUQR-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001416732243 926254877 /nfs/dbraw/zinc/25/48/77/926254877.db2.gz CNRANEHZPVLPND-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001416734021 926255420 /nfs/dbraw/zinc/25/54/20/926255420.db2.gz SHMUSNXNHXSODO-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416736920 926256514 /nfs/dbraw/zinc/25/65/14/926256514.db2.gz GAIJLKAWOXTDRT-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416736920 926256522 /nfs/dbraw/zinc/25/65/22/926256522.db2.gz GAIJLKAWOXTDRT-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnco2)C1 ZINC001416738717 926257555 /nfs/dbraw/zinc/25/75/55/926257555.db2.gz NESQVFGQGSQRPF-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnco2)C1 ZINC001416738717 926257564 /nfs/dbraw/zinc/25/75/64/926257564.db2.gz NESQVFGQGSQRPF-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001416740376 926259002 /nfs/dbraw/zinc/25/90/02/926259002.db2.gz JWBGIYHHBVWDRI-KOLCDFICSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001416740420 926259767 /nfs/dbraw/zinc/25/97/67/926259767.db2.gz KIPAWYMSXCHDNL-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001416742719 926260463 /nfs/dbraw/zinc/26/04/63/926260463.db2.gz NSQFKKRQPUNUOV-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001416744036 926261622 /nfs/dbraw/zinc/26/16/22/926261622.db2.gz YKQOYZOSCALZEX-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001416755025 926264986 /nfs/dbraw/zinc/26/49/86/926264986.db2.gz QBHXUZAFDRJGJV-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001416755576 926265134 /nfs/dbraw/zinc/26/51/34/926265134.db2.gz DRBUHVHFUGRAFR-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001416755020 926265517 /nfs/dbraw/zinc/26/55/17/926265517.db2.gz PZVJHEFVMTUSBY-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@H](O)C(C)C ZINC001416755358 926265939 /nfs/dbraw/zinc/26/59/39/926265939.db2.gz RDJMVOUUGJWYFF-WCQYABFASA-N 1 1 312.370 -1.198 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001416757826 926266370 /nfs/dbraw/zinc/26/63/70/926266370.db2.gz KDQDZLWYUHZIBS-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001416760664 926266880 /nfs/dbraw/zinc/26/68/80/926266880.db2.gz WHFNMNUAILFMNR-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001416759871 926267434 /nfs/dbraw/zinc/26/74/34/926267434.db2.gz IQMRBOUUDYKTPC-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001416766880 926269425 /nfs/dbraw/zinc/26/94/25/926269425.db2.gz ANVSUXCYQULZNB-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771950 926271499 /nfs/dbraw/zinc/27/14/99/926271499.db2.gz WOXRQVWTOBILHJ-ONGXEEELSA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)CCC1 ZINC001416772833 926272745 /nfs/dbraw/zinc/27/27/45/926272745.db2.gz YSPDGTWNRFJUJI-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001416775956 926272909 /nfs/dbraw/zinc/27/29/09/926272909.db2.gz UUOJVQBOCZAZNH-UWVGGRQHSA-N 1 1 311.342 -1.239 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)CCC1 ZINC001416772829 926272983 /nfs/dbraw/zinc/27/29/83/926272983.db2.gz YSPDGTWNRFJUJI-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001416772080 926273255 /nfs/dbraw/zinc/27/32/55/926273255.db2.gz OCHBICVOLNPGFL-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001416795291 926276731 /nfs/dbraw/zinc/27/67/31/926276731.db2.gz FSUXDVJTPIVRCU-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CCOCC1 ZINC001416803181 926277500 /nfs/dbraw/zinc/27/75/00/926277500.db2.gz DCYJIJUWAVEUML-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001416818426 926278664 /nfs/dbraw/zinc/27/86/64/926278664.db2.gz XKPLGLDPWBJVSX-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001416818426 926278674 /nfs/dbraw/zinc/27/86/74/926278674.db2.gz XKPLGLDPWBJVSX-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(=O)n(C)cn1 ZINC001416825150 926279215 /nfs/dbraw/zinc/27/92/15/926279215.db2.gz FCKWUYLNAYUXDP-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001416847890 926280917 /nfs/dbraw/zinc/28/09/17/926280917.db2.gz MDTVASYFIQXSOC-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001416900034 926286171 /nfs/dbraw/zinc/28/61/71/926286171.db2.gz YDJUAIYRUMPZOE-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001416920457 926287468 /nfs/dbraw/zinc/28/74/68/926287468.db2.gz AEQCBXRSIPENHY-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001416997286 926291594 /nfs/dbraw/zinc/29/15/94/926291594.db2.gz KIFSWXFTRIGEDE-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CNC(=O)NC ZINC001417036680 926297025 /nfs/dbraw/zinc/29/70/25/926297025.db2.gz PGEGMFBACZJBEH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067122 926298286 /nfs/dbraw/zinc/29/82/86/926298286.db2.gz IFHSEYSUWSEGLI-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067122 926298295 /nfs/dbraw/zinc/29/82/95/926298295.db2.gz IFHSEYSUWSEGLI-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001417116722 926300969 /nfs/dbraw/zinc/30/09/69/926300969.db2.gz IQCHGXKYWGEERT-VIFPVBQESA-N 1 1 313.358 -2.250 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001417116722 926300973 /nfs/dbraw/zinc/30/09/73/926300973.db2.gz IQCHGXKYWGEERT-VIFPVBQESA-N 1 1 313.358 -2.250 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001417196764 926305583 /nfs/dbraw/zinc/30/55/83/926305583.db2.gz SFEVYZQFFBHNFD-SNVBAGLBSA-N 1 1 320.353 -1.362 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCCS(N)(=O)=O ZINC001417748321 926333153 /nfs/dbraw/zinc/33/31/53/926333153.db2.gz HFZSDOXMKTUFAW-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001417751654 926334986 /nfs/dbraw/zinc/33/49/86/926334986.db2.gz YBBVHLGTYLBOND-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001417751663 926335564 /nfs/dbraw/zinc/33/55/64/926335564.db2.gz YBBVHLGTYLBOND-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001417786144 926336287 /nfs/dbraw/zinc/33/62/87/926336287.db2.gz DCVCSQLXZQKPRM-XYPYZODXSA-N 1 1 323.353 -1.087 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001417783914 926336746 /nfs/dbraw/zinc/33/67/46/926336746.db2.gz YVCDZMPGOBHFFR-LSJOCFKGSA-N 1 1 309.374 -1.281 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001417775499 926337092 /nfs/dbraw/zinc/33/70/92/926337092.db2.gz ROGVAHODCBYZNO-VXGBXAGGSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(C)OCC(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001417816861 926338278 /nfs/dbraw/zinc/33/82/78/926338278.db2.gz CWMLLKQXTJAJEA-UHFFFAOYSA-N 1 1 311.342 -1.202 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1 ZINC001417818982 926339043 /nfs/dbraw/zinc/33/90/43/926339043.db2.gz MDZISJLTVGJHOR-SNVBAGLBSA-N 1 1 323.353 -1.187 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)[C@@H]1C ZINC001417842753 926340052 /nfs/dbraw/zinc/34/00/52/926340052.db2.gz JDGNERZVMZUEAU-MXWKQRLJSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001417845276 926340570 /nfs/dbraw/zinc/34/05/70/926340570.db2.gz UKIALUZUVHQNLR-JTQLQIEISA-N 1 1 311.342 -1.286 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001417845276 926340577 /nfs/dbraw/zinc/34/05/77/926340577.db2.gz UKIALUZUVHQNLR-JTQLQIEISA-N 1 1 311.342 -1.286 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001417830776 926341093 /nfs/dbraw/zinc/34/10/93/926341093.db2.gz OGQHYHHSPQFBIX-OLZOCXBDSA-N 1 1 313.398 -1.136 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001417853598 926341884 /nfs/dbraw/zinc/34/18/84/926341884.db2.gz JXXIULACVBLVRL-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001417853598 926341899 /nfs/dbraw/zinc/34/18/99/926341899.db2.gz JXXIULACVBLVRL-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001417834240 926342153 /nfs/dbraw/zinc/34/21/53/926342153.db2.gz YUSBOZSMQMANKX-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCC(=O)NCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001417862218 926343865 /nfs/dbraw/zinc/34/38/65/926343865.db2.gz ZRBRVEREEROXGZ-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CS(=O)(=O)NC)CC1 ZINC001417899814 926345511 /nfs/dbraw/zinc/34/55/11/926345511.db2.gz DJRJBNNQCXYWKS-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417913198 926346030 /nfs/dbraw/zinc/34/60/30/926346030.db2.gz GXMYJBPQHSXODF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417913198 926346039 /nfs/dbraw/zinc/34/60/39/926346039.db2.gz GXMYJBPQHSXODF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417909060 926347582 /nfs/dbraw/zinc/34/75/82/926347582.db2.gz PJQAPKVCWRAZTG-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417909060 926347596 /nfs/dbraw/zinc/34/75/96/926347596.db2.gz PJQAPKVCWRAZTG-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001417913200 926347760 /nfs/dbraw/zinc/34/77/60/926347760.db2.gz GXMYJBPQHSXODF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001417913200 926347770 /nfs/dbraw/zinc/34/77/70/926347770.db2.gz GXMYJBPQHSXODF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(N)=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001417919285 926348566 /nfs/dbraw/zinc/34/85/66/926348566.db2.gz YEBAQIZVUSTFNY-OLZOCXBDSA-N 1 1 311.430 -1.312 20 0 DAADMO C[N@@H+](CC(=O)NCCN1CCN(CC(N)=O)CC1)C1CCC1 ZINC001417920585 926348647 /nfs/dbraw/zinc/34/86/47/926348647.db2.gz FPFCIZZKJQHRLP-UHFFFAOYSA-N 1 1 311.430 -1.310 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001417933847 926351454 /nfs/dbraw/zinc/35/14/54/926351454.db2.gz MFHBASBJQXPFPF-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001417933847 926351465 /nfs/dbraw/zinc/35/14/65/926351465.db2.gz MFHBASBJQXPFPF-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001417938894 926352817 /nfs/dbraw/zinc/35/28/17/926352817.db2.gz NADYBCUDZAEEOS-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001417938864 926353639 /nfs/dbraw/zinc/35/36/39/926353639.db2.gz ITUBRLURDKGDNP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001417938864 926353643 /nfs/dbraw/zinc/35/36/43/926353643.db2.gz ITUBRLURDKGDNP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001417942157 926354171 /nfs/dbraw/zinc/35/41/71/926354171.db2.gz YGCMIXWUWZODIW-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001417942157 926354177 /nfs/dbraw/zinc/35/41/77/926354177.db2.gz YGCMIXWUWZODIW-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001417979045 926354979 /nfs/dbraw/zinc/35/49/79/926354979.db2.gz XOZHFVKRTGILJT-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001417955719 926355688 /nfs/dbraw/zinc/35/56/88/926355688.db2.gz RPFYFIXSKOWRSJ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1nnc(CN[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001417969966 926356055 /nfs/dbraw/zinc/35/60/55/926356055.db2.gz BUWBPQMHLPICIQ-NWDGAFQWSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001417969966 926356065 /nfs/dbraw/zinc/35/60/65/926356065.db2.gz BUWBPQMHLPICIQ-NWDGAFQWSA-N 1 1 323.401 -1.475 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001418019299 926357583 /nfs/dbraw/zinc/35/75/83/926357583.db2.gz HSYCDCSYMWUVLD-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001418019292 926357787 /nfs/dbraw/zinc/35/77/87/926357787.db2.gz HSYCDCSYMWUVLD-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001418021497 926357890 /nfs/dbraw/zinc/35/78/90/926357890.db2.gz TWHJBIDBYCLAHV-AAEUAGOBSA-N 1 1 312.414 -1.076 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H](CNC(=O)CN1CCCC1)C1CC1 ZINC001418010662 926357990 /nfs/dbraw/zinc/35/79/90/926357990.db2.gz ANGDRVCURZPTQB-LLVKDONJSA-N 1 1 311.386 -1.239 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001418021498 926358162 /nfs/dbraw/zinc/35/81/62/926358162.db2.gz TWHJBIDBYCLAHV-DGCLKSJQSA-N 1 1 312.414 -1.076 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001418046895 926359110 /nfs/dbraw/zinc/35/91/10/926359110.db2.gz CQRKRSXLKZUFSI-MGCOHNPYSA-N 1 1 307.358 -1.527 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001418037087 926359992 /nfs/dbraw/zinc/35/99/92/926359992.db2.gz DKJILEFAXQWUQS-UWVGGRQHSA-N 1 1 324.389 -1.170 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418039213 926360115 /nfs/dbraw/zinc/36/01/15/926360115.db2.gz OALXAZGLIPZFJQ-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)S(C)(=O)=O ZINC001418079353 926362899 /nfs/dbraw/zinc/36/28/99/926362899.db2.gz CUBRVWZAYWNOLS-YOGCLGLASA-N 1 1 319.427 -1.018 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001418097981 926363938 /nfs/dbraw/zinc/36/39/38/926363938.db2.gz QGBQZGCZDNYYKL-AOOOYVTPSA-N 1 1 324.341 -1.941 20 0 DAADMO C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001418099264 926364807 /nfs/dbraw/zinc/36/48/07/926364807.db2.gz QLQHUAGRCFWYEZ-HLTSFMKQSA-N 1 1 310.362 -1.606 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001418118710 926366547 /nfs/dbraw/zinc/36/65/47/926366547.db2.gz HQULLPIASUGOQI-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418123398 926366866 /nfs/dbraw/zinc/36/68/66/926366866.db2.gz IWWVVMMNYKNXPI-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001418123246 926366944 /nfs/dbraw/zinc/36/69/44/926366944.db2.gz ZJNGRRMPBOSSFD-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418123402 926367089 /nfs/dbraw/zinc/36/70/89/926367089.db2.gz IWWVVMMNYKNXPI-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001418155314 926367747 /nfs/dbraw/zinc/36/77/47/926367747.db2.gz LQRLETMTXXHQKJ-SNVBAGLBSA-N 1 1 320.415 -1.489 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCS(N)(=O)=O ZINC001418155314 926367754 /nfs/dbraw/zinc/36/77/54/926367754.db2.gz LQRLETMTXXHQKJ-SNVBAGLBSA-N 1 1 320.415 -1.489 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)c1=O ZINC001418149955 926368687 /nfs/dbraw/zinc/36/86/87/926368687.db2.gz GIYZJUSAVIGHHB-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)c1=O ZINC001418149955 926368699 /nfs/dbraw/zinc/36/86/99/926368699.db2.gz GIYZJUSAVIGHHB-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)CO1 ZINC001418180549 926369971 /nfs/dbraw/zinc/36/99/71/926369971.db2.gz SDEMMBRDJPXDSF-ZTVLKNOQSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)CO1 ZINC001418180549 926369976 /nfs/dbraw/zinc/36/99/76/926369976.db2.gz SDEMMBRDJPXDSF-ZTVLKNOQSA-N 1 1 324.381 -1.087 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)CCNC(N)=O)CC2)n1 ZINC001418190868 926370871 /nfs/dbraw/zinc/37/08/71/926370871.db2.gz PHESZNOQMZSICB-UHFFFAOYSA-N 1 1 324.389 -1.215 20 0 DAADMO C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1nnnn1C ZINC001418241852 926374409 /nfs/dbraw/zinc/37/44/09/926374409.db2.gz FFMIOSYFQIDZRE-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)CC1=O ZINC001418232269 926374563 /nfs/dbraw/zinc/37/45/63/926374563.db2.gz HMAPEOOKTRNJLG-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001418241547 926374838 /nfs/dbraw/zinc/37/48/38/926374838.db2.gz ZDNLRRZJEJMFPN-SECBINFHSA-N 1 1 322.373 -1.002 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001418268657 926375853 /nfs/dbraw/zinc/37/58/53/926375853.db2.gz XFNMCNISKKYWQY-UWVGGRQHSA-N 1 1 324.389 -1.251 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nncn1C ZINC001418252877 926376035 /nfs/dbraw/zinc/37/60/35/926376035.db2.gz PDEYQJIZXRPEKS-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418263180 926376449 /nfs/dbraw/zinc/37/64/49/926376449.db2.gz RZHRRQUHIWTYKE-VHSXEESVSA-N 1 1 324.389 -1.299 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)cn1 ZINC001418292297 926378837 /nfs/dbraw/zinc/37/88/37/926378837.db2.gz QRSUPJKISSHZGW-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C)C(N)=O ZINC001418280806 926378879 /nfs/dbraw/zinc/37/88/79/926378879.db2.gz MFUOORJWEDWHGY-KOLCDFICSA-N 1 1 324.385 -1.606 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1nccn1C)C(N)=O ZINC001418280809 926379551 /nfs/dbraw/zinc/37/95/51/926379551.db2.gz MFUOORJWEDWHGY-ONGXEEELSA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1ncc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1-n1cnnc1 ZINC001418328323 926380751 /nfs/dbraw/zinc/38/07/51/926380751.db2.gz AGWATXYNUFOCJO-LLVKDONJSA-N 1 1 317.353 -1.108 20 0 DAADMO Cn1ncc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1-n1cnnc1 ZINC001418328323 926380758 /nfs/dbraw/zinc/38/07/58/926380758.db2.gz AGWATXYNUFOCJO-LLVKDONJSA-N 1 1 317.353 -1.108 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2nnc(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001418308955 926380823 /nfs/dbraw/zinc/38/08/23/926380823.db2.gz QETDNGMHVVVCQI-ZJUUUORDSA-N 1 1 309.374 -1.129 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001418317329 926381104 /nfs/dbraw/zinc/38/11/04/926381104.db2.gz VIBYJBAHMSYOPC-YUMQZZPRSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@H](CCNC(=O)CNC(=O)C1CC1)[NH2+]Cc1nnn(C)n1 ZINC001418396137 926386443 /nfs/dbraw/zinc/38/64/43/926386443.db2.gz ZGXCRUUTABVORL-SECBINFHSA-N 1 1 309.374 -1.279 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001418372200 926386496 /nfs/dbraw/zinc/38/64/96/926386496.db2.gz GQLJOBJLYVADPT-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001418372200 926386503 /nfs/dbraw/zinc/38/65/03/926386503.db2.gz GQLJOBJLYVADPT-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418370166 926386706 /nfs/dbraw/zinc/38/67/06/926386706.db2.gz CTGJXJBQOQBCCK-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418370166 926386712 /nfs/dbraw/zinc/38/67/12/926386712.db2.gz CTGJXJBQOQBCCK-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001418373230 926386972 /nfs/dbraw/zinc/38/69/72/926386972.db2.gz JXCNVYLNZGUBEM-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001418375929 926386994 /nfs/dbraw/zinc/38/69/94/926386994.db2.gz LZOTXOYDUZZVRP-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001418375929 926386998 /nfs/dbraw/zinc/38/69/98/926386998.db2.gz LZOTXOYDUZZVRP-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@@H](CCNC(=O)CNC(=O)C1CC1)[NH2+]Cc1nnn(C)n1 ZINC001418396139 926387252 /nfs/dbraw/zinc/38/72/52/926387252.db2.gz ZGXCRUUTABVORL-VIFPVBQESA-N 1 1 309.374 -1.279 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2ccon2)n(C)c1=O ZINC001418446021 926388785 /nfs/dbraw/zinc/38/87/85/926388785.db2.gz KJJGNLFHKDYELL-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2ccon2)n(C)c1=O ZINC001418446021 926388794 /nfs/dbraw/zinc/38/87/94/926388794.db2.gz KJJGNLFHKDYELL-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1cnc[nH]1 ZINC001418417106 926389111 /nfs/dbraw/zinc/38/91/11/926389111.db2.gz IPOWOLUVZCTBOG-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001418452832 926391480 /nfs/dbraw/zinc/39/14/80/926391480.db2.gz LXLAANGTTIJVDW-VIFPVBQESA-N 1 1 314.342 -1.557 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001418452832 926391489 /nfs/dbraw/zinc/39/14/89/926391489.db2.gz LXLAANGTTIJVDW-VIFPVBQESA-N 1 1 314.342 -1.557 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)Cn1ncnn1)S(C)(=O)=O ZINC001418462853 926391693 /nfs/dbraw/zinc/39/16/93/926391693.db2.gz WHDZISRLMNCJGO-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)Cn1ncnn1)S(C)(=O)=O ZINC001418462853 926391699 /nfs/dbraw/zinc/39/16/99/926391699.db2.gz WHDZISRLMNCJGO-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1N)C[C@H](O)Cn1cccn1 ZINC001418449131 926391921 /nfs/dbraw/zinc/39/19/21/926391921.db2.gz RMVLLIAKVPNWOE-NSHDSACASA-N 1 1 319.369 -1.022 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)NC(N)=O ZINC001418447269 926392000 /nfs/dbraw/zinc/39/20/00/926392000.db2.gz CVDUTBFGXALKLT-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)NC(N)=O ZINC001418447269 926392003 /nfs/dbraw/zinc/39/20/03/926392003.db2.gz CVDUTBFGXALKLT-VIFPVBQESA-N 1 1 301.347 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001418469434 926393318 /nfs/dbraw/zinc/39/33/18/926393318.db2.gz GGBQLHZIZNBYFE-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001418469434 926393325 /nfs/dbraw/zinc/39/33/25/926393325.db2.gz GGBQLHZIZNBYFE-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n1CCOC2)CC(=O)NC(N)=O ZINC001418471926 926393480 /nfs/dbraw/zinc/39/34/80/926393480.db2.gz WQAXPWKHRSVMHO-UHFFFAOYSA-N 1 1 324.341 -1.730 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n1CCOC2)CC(=O)NC(N)=O ZINC001418471926 926393487 /nfs/dbraw/zinc/39/34/87/926393487.db2.gz WQAXPWKHRSVMHO-UHFFFAOYSA-N 1 1 324.341 -1.730 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001418469430 926393567 /nfs/dbraw/zinc/39/35/67/926393567.db2.gz GGBQLHZIZNBYFE-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001418469430 926393576 /nfs/dbraw/zinc/39/35/76/926393576.db2.gz GGBQLHZIZNBYFE-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n1CCOC2)[C@H]1CCNC1=O ZINC001418471411 926394136 /nfs/dbraw/zinc/39/41/36/926394136.db2.gz SVQOMKBFNFOZHL-JTQLQIEISA-N 1 1 307.354 -1.037 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n1CCOC2)[C@H]1CCNC1=O ZINC001418471411 926394144 /nfs/dbraw/zinc/39/41/44/926394144.db2.gz SVQOMKBFNFOZHL-JTQLQIEISA-N 1 1 307.354 -1.037 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001418474190 926394210 /nfs/dbraw/zinc/39/42/10/926394210.db2.gz PNSUHMPXKDATKA-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001418474190 926394220 /nfs/dbraw/zinc/39/42/20/926394220.db2.gz PNSUHMPXKDATKA-JTQLQIEISA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001418480411 926394629 /nfs/dbraw/zinc/39/46/29/926394629.db2.gz NUHPBLAJXJDJON-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001418480411 926394635 /nfs/dbraw/zinc/39/46/35/926394635.db2.gz NUHPBLAJXJDJON-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCn1cccn1 ZINC001418496743 926395464 /nfs/dbraw/zinc/39/54/64/926395464.db2.gz UTIVWRHSLLMCBS-NWDGAFQWSA-N 1 1 309.370 -1.036 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418486340 926395830 /nfs/dbraw/zinc/39/58/30/926395830.db2.gz GUVCTEMHLOECRW-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001418486340 926395840 /nfs/dbraw/zinc/39/58/40/926395840.db2.gz GUVCTEMHLOECRW-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001418500654 926396082 /nfs/dbraw/zinc/39/60/82/926396082.db2.gz CXOYTLREJWFKIZ-NSHDSACASA-N 1 1 312.374 -1.392 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001418491235 926396665 /nfs/dbraw/zinc/39/66/65/926396665.db2.gz QMDZAXBDEVWPHZ-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001418491235 926396670 /nfs/dbraw/zinc/39/66/70/926396670.db2.gz QMDZAXBDEVWPHZ-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418486345 926396708 /nfs/dbraw/zinc/39/67/08/926396708.db2.gz GUVCTEMHLOECRW-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001418486345 926396714 /nfs/dbraw/zinc/39/67/14/926396714.db2.gz GUVCTEMHLOECRW-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCNC(=O)c2nnn(C)n2)n1 ZINC001418490733 926397080 /nfs/dbraw/zinc/39/70/80/926397080.db2.gz NLHHWPKHFLHTRQ-UHFFFAOYSA-N 1 1 307.362 -1.220 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001418515399 926397606 /nfs/dbraw/zinc/39/76/06/926397606.db2.gz DWKDDSSJFQNZMZ-UHFFFAOYSA-N 1 1 314.321 -1.276 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001418515399 926397614 /nfs/dbraw/zinc/39/76/14/926397614.db2.gz DWKDDSSJFQNZMZ-UHFFFAOYSA-N 1 1 314.321 -1.276 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001418505928 926397650 /nfs/dbraw/zinc/39/76/50/926397650.db2.gz NHUZKBYTSJEFQV-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001418505928 926397660 /nfs/dbraw/zinc/39/76/60/926397660.db2.gz NHUZKBYTSJEFQV-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)Cc2nnn(C)n2)C1 ZINC001418523611 926397787 /nfs/dbraw/zinc/39/77/87/926397787.db2.gz GIZBSOFDRDZLHC-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)Cc2nnn(C)n2)C1 ZINC001418523611 926397797 /nfs/dbraw/zinc/39/77/97/926397797.db2.gz GIZBSOFDRDZLHC-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001418521015 926398158 /nfs/dbraw/zinc/39/81/58/926398158.db2.gz UORWYAGFYNLACD-SECBINFHSA-N 1 1 311.342 -1.756 20 0 DAADMO Cc1nccc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001418523243 926398682 /nfs/dbraw/zinc/39/86/82/926398682.db2.gz WQRACKZCMLWVFE-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO Cc1nccc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001418523243 926398695 /nfs/dbraw/zinc/39/86/95/926398695.db2.gz WQRACKZCMLWVFE-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001418507466 926398716 /nfs/dbraw/zinc/39/87/16/926398716.db2.gz VJBORSITGRWLQF-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001418507466 926398722 /nfs/dbraw/zinc/39/87/22/926398722.db2.gz VJBORSITGRWLQF-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)C[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001418513369 926399278 /nfs/dbraw/zinc/39/92/78/926399278.db2.gz FDTCBHGDPKRBLX-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)CCn2cccn2)c(=O)n1C ZINC001418519792 926399743 /nfs/dbraw/zinc/39/97/43/926399743.db2.gz DXGAOHORIKVRDC-UHFFFAOYSA-N 1 1 321.385 -1.165 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001418520461 926400083 /nfs/dbraw/zinc/40/00/83/926400083.db2.gz UFIVGDFEEAQSAW-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001418520461 926400089 /nfs/dbraw/zinc/40/00/89/926400089.db2.gz UFIVGDFEEAQSAW-UHFFFAOYSA-N 1 1 311.346 -1.828 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnnn1C)CC(=O)NC(=O)NC ZINC001418543624 926401509 /nfs/dbraw/zinc/40/15/09/926401509.db2.gz VXFBNKUELXQYRU-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnnn1C)CC(=O)NC(=O)NC ZINC001418543624 926401515 /nfs/dbraw/zinc/40/15/15/926401515.db2.gz VXFBNKUELXQYRU-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)CC(N)=O ZINC001418547404 926401623 /nfs/dbraw/zinc/40/16/23/926401623.db2.gz JPRLJIAIMBBVJC-JTQLQIEISA-N 1 1 322.369 -1.314 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)CC(N)=O ZINC001418547404 926401627 /nfs/dbraw/zinc/40/16/27/926401627.db2.gz JPRLJIAIMBBVJC-JTQLQIEISA-N 1 1 322.369 -1.314 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(=O)NC ZINC001418535485 926402503 /nfs/dbraw/zinc/40/25/03/926402503.db2.gz IHLQWZBCQPHCOY-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(=O)NC ZINC001418535485 926402509 /nfs/dbraw/zinc/40/25/09/926402509.db2.gz IHLQWZBCQPHCOY-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(=O)NC ZINC001418535492 926402528 /nfs/dbraw/zinc/40/25/28/926402528.db2.gz IHLQWZBCQPHCOY-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(=O)NC ZINC001418535492 926402534 /nfs/dbraw/zinc/40/25/34/926402534.db2.gz IHLQWZBCQPHCOY-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H](C)C(N)=O ZINC001418550906 926404368 /nfs/dbraw/zinc/40/43/68/926404368.db2.gz GTDQTESBFORQGH-VHSXEESVSA-N 1 1 324.385 -1.142 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H](C)C(N)=O ZINC001418550906 926404372 /nfs/dbraw/zinc/40/43/72/926404372.db2.gz GTDQTESBFORQGH-VHSXEESVSA-N 1 1 324.385 -1.142 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](C)OC ZINC001418580810 926404726 /nfs/dbraw/zinc/40/47/26/926404726.db2.gz DXDJFAPIHKHPQC-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cncn1C)[C@@H](C)C(=O)NC(N)=O ZINC001418572164 926405288 /nfs/dbraw/zinc/40/52/88/926405288.db2.gz XVKISMXJIOEMPN-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cncn1C)[C@@H](C)C(=O)NC(N)=O ZINC001418572164 926405301 /nfs/dbraw/zinc/40/53/01/926405301.db2.gz XVKISMXJIOEMPN-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418583715 926406170 /nfs/dbraw/zinc/40/61/70/926406170.db2.gz ZCKOASLJKKRUHI-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592781 926406827 /nfs/dbraw/zinc/40/68/27/926406827.db2.gz NZWISCKKJRNTPQ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592781 926406830 /nfs/dbraw/zinc/40/68/30/926406830.db2.gz NZWISCKKJRNTPQ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001418592984 926407118 /nfs/dbraw/zinc/40/71/18/926407118.db2.gz IMQPRCNBLUKNPH-LLVKDONJSA-N 1 1 321.385 -1.095 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001418592984 926407120 /nfs/dbraw/zinc/40/71/20/926407120.db2.gz IMQPRCNBLUKNPH-LLVKDONJSA-N 1 1 321.385 -1.095 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418583718 926407136 /nfs/dbraw/zinc/40/71/36/926407136.db2.gz ZCKOASLJKKRUHI-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001418607115 926407903 /nfs/dbraw/zinc/40/79/03/926407903.db2.gz GJZJEEAPLODBKM-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001418607115 926407910 /nfs/dbraw/zinc/40/79/10/926407910.db2.gz GJZJEEAPLODBKM-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001418595678 926408330 /nfs/dbraw/zinc/40/83/30/926408330.db2.gz ILBRLRDZAWLBMM-KBPBESRZSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001418608293 926408873 /nfs/dbraw/zinc/40/88/73/926408873.db2.gz NRMBXBHKJBAOMI-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCS(=O)(=O)NC ZINC001418608293 926408879 /nfs/dbraw/zinc/40/88/79/926408879.db2.gz NRMBXBHKJBAOMI-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001418602159 926408961 /nfs/dbraw/zinc/40/89/61/926408961.db2.gz DWHCTWMKQSQRQP-NSHDSACASA-N 1 1 305.346 -1.455 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccon1 ZINC001418613582 926409238 /nfs/dbraw/zinc/40/92/38/926409238.db2.gz MCMKCKCIMSWMRG-SNVBAGLBSA-N 1 1 309.326 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccon1 ZINC001418613582 926409244 /nfs/dbraw/zinc/40/92/44/926409244.db2.gz MCMKCKCIMSWMRG-SNVBAGLBSA-N 1 1 309.326 -1.007 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001418608265 926409294 /nfs/dbraw/zinc/40/92/94/926409294.db2.gz NOWTXLYBANPOHC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001418608265 926409298 /nfs/dbraw/zinc/40/92/98/926409298.db2.gz NOWTXLYBANPOHC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418615231 926410497 /nfs/dbraw/zinc/41/04/97/926410497.db2.gz ZQLQAICPEAARIN-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C[C@H]1C(N)=O ZINC001418627286 926410913 /nfs/dbraw/zinc/41/09/13/926410913.db2.gz YYNHJEYEFJJJGZ-OPRDCNLKSA-N 1 1 300.334 -1.535 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001418642480 926412308 /nfs/dbraw/zinc/41/23/08/926412308.db2.gz WFVCDAVVDCVCHA-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCCO)C2)CC1=O ZINC001418670485 926414006 /nfs/dbraw/zinc/41/40/06/926414006.db2.gz JVTQUQCVALXQRI-CYBMUJFWSA-N 1 1 312.414 -1.419 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418675872 926414541 /nfs/dbraw/zinc/41/45/41/926414541.db2.gz RGMIDYCIQFIHSW-UWVGGRQHSA-N 1 1 320.415 -1.633 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001418675224 926414761 /nfs/dbraw/zinc/41/47/61/926414761.db2.gz XUZULCOZOCYUNV-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001418669292 926414836 /nfs/dbraw/zinc/41/48/36/926414836.db2.gz IFINVFBFYKOCTP-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001418674039 926414993 /nfs/dbraw/zinc/41/49/93/926414993.db2.gz WOHLMOOWNRHVKI-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCS(=O)(=O)NC)C1 ZINC001418666557 926415117 /nfs/dbraw/zinc/41/51/17/926415117.db2.gz NMSHJEAQYQVQMW-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418699284 926415647 /nfs/dbraw/zinc/41/56/47/926415647.db2.gz OLFUOMYVXIFNOM-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001418689222 926415856 /nfs/dbraw/zinc/41/58/56/926415856.db2.gz PVNQPXXZIYULPP-WDEREUQCSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001418699678 926416198 /nfs/dbraw/zinc/41/61/98/926416198.db2.gz PCGNENKSIKUMLQ-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001418682306 926416405 /nfs/dbraw/zinc/41/64/05/926416405.db2.gz IXYGEYGZIOWNRH-QWRGUYRKSA-N 1 1 307.416 -1.126 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418699273 926417022 /nfs/dbraw/zinc/41/70/22/926417022.db2.gz OLFUOMYVXIFNOM-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCOC2)n1 ZINC001418736440 926418152 /nfs/dbraw/zinc/41/81/52/926418152.db2.gz DLBUUOMCCXKUAK-SECBINFHSA-N 1 1 323.353 -1.330 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](C)OC)n1 ZINC001418744744 926418456 /nfs/dbraw/zinc/41/84/56/926418456.db2.gz ZUZOGUCLRFQGIP-MRVPVSSYSA-N 1 1 311.342 -1.331 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001418734047 926419088 /nfs/dbraw/zinc/41/90/88/926419088.db2.gz QHYVRBBNDKIMHV-NEPJUHHUSA-N 1 1 308.338 -1.106 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCn1cncn1 ZINC001418726123 926419159 /nfs/dbraw/zinc/41/91/59/926419159.db2.gz WTRQAYFETSQSNX-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO CO[C@@H](C)C(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001418739172 926419201 /nfs/dbraw/zinc/41/92/01/926419201.db2.gz NXIFNQRMMDTSQB-WCBMZHEXSA-N 1 1 323.353 -1.189 20 0 DAADMO CCNC(=O)C[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001418766248 926419938 /nfs/dbraw/zinc/41/99/38/926419938.db2.gz GEFCXGTZRVYOMQ-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001418766248 926419945 /nfs/dbraw/zinc/41/99/45/926419945.db2.gz GEFCXGTZRVYOMQ-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](CC(=O)N2CCC2)C2CC2)NC1=O ZINC001418766885 926420362 /nfs/dbraw/zinc/42/03/62/926420362.db2.gz NBZCYZVGDGAZGC-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](CC(=O)N2CCC2)C2CC2)NC1=O ZINC001418766885 926420365 /nfs/dbraw/zinc/42/03/65/926420365.db2.gz NBZCYZVGDGAZGC-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001418773868 926421844 /nfs/dbraw/zinc/42/18/44/926421844.db2.gz AJRUKZJPMAUTBD-NEPJUHHUSA-N 1 1 319.427 -1.038 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CCNC(=O)C2CC2)C2CC2)n1 ZINC001418775490 926422967 /nfs/dbraw/zinc/42/29/67/926422967.db2.gz LKRQBYDVEHBYSD-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)CCNC(N)=O)C2CC2)C1=O ZINC001418796251 926423172 /nfs/dbraw/zinc/42/31/72/926423172.db2.gz GDNHFYSZKZLXDR-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)CCNC(N)=O)C2CC2)C1=O ZINC001418796251 926423175 /nfs/dbraw/zinc/42/31/75/926423175.db2.gz GDNHFYSZKZLXDR-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)c1nnnn1C ZINC001418820015 926423532 /nfs/dbraw/zinc/42/35/32/926423532.db2.gz DLUDTBIQRCKEBC-IUCAKERBSA-N 1 1 310.362 -1.657 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)c1nncn1C ZINC001418821466 926423755 /nfs/dbraw/zinc/42/37/55/926423755.db2.gz QNYUMMADGAYMDL-IUCAKERBSA-N 1 1 323.357 -1.478 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)c1nnnn1C ZINC001418820011 926424778 /nfs/dbraw/zinc/42/47/78/926424778.db2.gz DLUDTBIQRCKEBC-BDAKNGLRSA-N 1 1 310.362 -1.657 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1=O)c1nnnn1C ZINC001418804966 926424853 /nfs/dbraw/zinc/42/48/53/926424853.db2.gz CZLGSOUAGZMCKY-JTQLQIEISA-N 1 1 309.374 -1.059 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CC(=O)NC(N)=O)C2CC2)C1 ZINC001418799396 926424861 /nfs/dbraw/zinc/42/48/61/926424861.db2.gz WZYXKLGXDXWXKU-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)Cn1ncn(C)c1=O)c1nncn1C ZINC001418819804 926424891 /nfs/dbraw/zinc/42/48/91/926424891.db2.gz FSENMAXNKFJONI-JTQLQIEISA-N 1 1 322.373 -1.481 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H]1C ZINC001418808274 926424905 /nfs/dbraw/zinc/42/49/05/926424905.db2.gz OZRMTWFXHMIVHQ-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001418827781 926426212 /nfs/dbraw/zinc/42/62/12/926426212.db2.gz FVEPANRYHKVJBV-UHFFFAOYSA-N 1 1 322.427 -1.037 20 0 DAADMO CC(=O)NCC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001418834505 926426968 /nfs/dbraw/zinc/42/69/68/926426968.db2.gz HNBMDWWRAIQTMR-UHFFFAOYSA-N 1 1 301.387 -1.210 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001418890915 926427887 /nfs/dbraw/zinc/42/78/87/926427887.db2.gz WDXFSZMOUYHCCE-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418890915 926427892 /nfs/dbraw/zinc/42/78/92/926427892.db2.gz WDXFSZMOUYHCCE-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418886248 926428192 /nfs/dbraw/zinc/42/81/92/926428192.db2.gz HKRCIKZVXDFBPE-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccccc1 ZINC001418856334 926428240 /nfs/dbraw/zinc/42/82/40/926428240.db2.gz LWGXSQWYDWBHHU-NEPJUHHUSA-N 1 1 319.365 -1.139 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418886241 926429137 /nfs/dbraw/zinc/42/91/37/926429137.db2.gz HKRCIKZVXDFBPE-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001418899475 926429977 /nfs/dbraw/zinc/42/99/77/926429977.db2.gz VZBYEIIGVGFTOS-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001418908424 926430431 /nfs/dbraw/zinc/43/04/31/926430431.db2.gz OYQFFCNPDRVNJP-RYUDHWBXSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(=O)N(C)CC[NH+]1CCN(CCN(C)S(C)(=O)=O)CC1 ZINC001418915458 926431037 /nfs/dbraw/zinc/43/10/37/926431037.db2.gz AULYADSILBRGTN-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001418914992 926431499 /nfs/dbraw/zinc/43/14/99/926431499.db2.gz SMEFDIGRJMUHJD-NSHDSACASA-N 1 1 312.370 -1.251 20 0 DAADMO CO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001418921728 926431979 /nfs/dbraw/zinc/43/19/79/926431979.db2.gz JYGFBOOUASPLJI-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001418932731 926432363 /nfs/dbraw/zinc/43/23/63/926432363.db2.gz PQDKLUNJOPFYAD-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001418921726 926433315 /nfs/dbraw/zinc/43/33/15/926433315.db2.gz JYGFBOOUASPLJI-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(=O)n(C)c1=O ZINC001418953100 926433333 /nfs/dbraw/zinc/43/33/33/926433333.db2.gz PJAASBCXORPNFY-CYBMUJFWSA-N 1 1 312.326 -2.835 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001418927744 926433386 /nfs/dbraw/zinc/43/33/86/926433386.db2.gz CXXKQXNKSRDGFY-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCCC2=O ZINC001418952972 926433525 /nfs/dbraw/zinc/43/35/25/926433525.db2.gz NGFDZIRFGKDFAO-AWEZNQCLSA-N 1 1 308.338 -1.060 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc(-n2cncn2)n1 ZINC001418953791 926434125 /nfs/dbraw/zinc/43/41/25/926434125.db2.gz URHHWRCXKHDRAT-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418954002 926434445 /nfs/dbraw/zinc/43/44/45/926434445.db2.gz FNOMQGMZJWSIHI-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001418956875 926434919 /nfs/dbraw/zinc/43/49/19/926434919.db2.gz FBRZXXSDROZTIC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001418956875 926434922 /nfs/dbraw/zinc/43/49/22/926434922.db2.gz FBRZXXSDROZTIC-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CCC2CC2)C1 ZINC001418995612 926440861 /nfs/dbraw/zinc/44/08/61/926440861.db2.gz ZZNWQZZXLVMEMV-JTQLQIEISA-N 1 1 321.385 -1.222 20 0 DAADMO Cc1oncc1C[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001419028455 926446042 /nfs/dbraw/zinc/44/60/42/926446042.db2.gz GUGMZVBHUMFONH-UHFFFAOYSA-N 1 1 321.381 -1.037 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001419044818 926447500 /nfs/dbraw/zinc/44/75/00/926447500.db2.gz ZHRRKHIDFSDVNG-UHFFFAOYSA-N 1 1 323.397 -1.136 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001419030005 926447605 /nfs/dbraw/zinc/44/76/05/926447605.db2.gz UBRLDRAFIDXTLV-LLVKDONJSA-N 1 1 311.386 -1.464 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001419048931 926450242 /nfs/dbraw/zinc/45/02/42/926450242.db2.gz LLRHDYKNJDCHQC-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001419063251 926451334 /nfs/dbraw/zinc/45/13/34/926451334.db2.gz NPGVJRARTDUVKH-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001419063251 926451339 /nfs/dbraw/zinc/45/13/39/926451339.db2.gz NPGVJRARTDUVKH-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001419066095 926452135 /nfs/dbraw/zinc/45/21/35/926452135.db2.gz HTGIDNHWWSWKFP-VIFPVBQESA-N 1 1 301.372 -1.259 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001419066088 926452158 /nfs/dbraw/zinc/45/21/58/926452158.db2.gz HTGIDNHWWSWKFP-SECBINFHSA-N 1 1 301.372 -1.259 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001419082283 926453635 /nfs/dbraw/zinc/45/36/35/926453635.db2.gz HIHIGJSVIPHUKQ-MWLCHTKSSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001419082283 926453639 /nfs/dbraw/zinc/45/36/39/926453639.db2.gz HIHIGJSVIPHUKQ-MWLCHTKSSA-N 1 1 322.369 -1.264 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001419091327 926453950 /nfs/dbraw/zinc/45/39/50/926453950.db2.gz FOTLXVKAZAERKH-GFCCVEGCSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001419082277 926454200 /nfs/dbraw/zinc/45/42/00/926454200.db2.gz HIHIGJSVIPHUKQ-GXSJLCMTSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001419082277 926454212 /nfs/dbraw/zinc/45/42/12/926454212.db2.gz HIHIGJSVIPHUKQ-GXSJLCMTSA-N 1 1 322.369 -1.264 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419094588 926455197 /nfs/dbraw/zinc/45/51/97/926455197.db2.gz YEPILTFWSIQBBY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419094588 926455203 /nfs/dbraw/zinc/45/52/03/926455203.db2.gz YEPILTFWSIQBBY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001419097434 926455736 /nfs/dbraw/zinc/45/57/36/926455736.db2.gz LFXGPHSKAPEOKY-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001419097434 926455745 /nfs/dbraw/zinc/45/57/45/926455745.db2.gz LFXGPHSKAPEOKY-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001419095106 926455980 /nfs/dbraw/zinc/45/59/80/926455980.db2.gz HGODSCHXTFXJFL-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)nnc2c1=O ZINC001419116031 926458287 /nfs/dbraw/zinc/45/82/87/926458287.db2.gz KBBYLVXJYMANOU-XPTSAGLGSA-N 1 1 320.353 -1.501 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)nnc2c1=O ZINC001419116031 926458295 /nfs/dbraw/zinc/45/82/95/926458295.db2.gz KBBYLVXJYMANOU-XPTSAGLGSA-N 1 1 320.353 -1.501 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)nnc2c1=O ZINC001419115997 926458984 /nfs/dbraw/zinc/45/89/84/926458984.db2.gz KBBYLVXJYMANOU-LKFCYVNXSA-N 1 1 320.353 -1.501 20 0 DAADMO Cn1ccn2c(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)nnc2c1=O ZINC001419115997 926458987 /nfs/dbraw/zinc/45/89/87/926458987.db2.gz KBBYLVXJYMANOU-LKFCYVNXSA-N 1 1 320.353 -1.501 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419134378 926459949 /nfs/dbraw/zinc/45/99/49/926459949.db2.gz KMDBDLREHXSBMN-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419134378 926459954 /nfs/dbraw/zinc/45/99/54/926459954.db2.gz KMDBDLREHXSBMN-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001419131579 926460476 /nfs/dbraw/zinc/46/04/76/926460476.db2.gz XCLWWCDCHCJJPY-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001419131579 926460483 /nfs/dbraw/zinc/46/04/83/926460483.db2.gz XCLWWCDCHCJJPY-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419159689 926461753 /nfs/dbraw/zinc/46/17/53/926461753.db2.gz KIAWWBARFZGXMD-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C(=O)CCS(=O)(=O)NC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419159689 926461757 /nfs/dbraw/zinc/46/17/57/926461757.db2.gz KIAWWBARFZGXMD-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419152769 926461826 /nfs/dbraw/zinc/46/18/26/926461826.db2.gz AOIZTXCKQWVRRL-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001419152769 926461829 /nfs/dbraw/zinc/46/18/29/926461829.db2.gz AOIZTXCKQWVRRL-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419149500 926461970 /nfs/dbraw/zinc/46/19/70/926461970.db2.gz SNRVLMBFGQPEBP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419149500 926461977 /nfs/dbraw/zinc/46/19/77/926461977.db2.gz SNRVLMBFGQPEBP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419152762 926462273 /nfs/dbraw/zinc/46/22/73/926462273.db2.gz AOIZTXCKQWVRRL-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419152762 926462281 /nfs/dbraw/zinc/46/22/81/926462281.db2.gz AOIZTXCKQWVRRL-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419166688 926462592 /nfs/dbraw/zinc/46/25/92/926462592.db2.gz ZJWCYHWMUOTZBC-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419166688 926462599 /nfs/dbraw/zinc/46/25/99/926462599.db2.gz ZJWCYHWMUOTZBC-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001419146011 926462957 /nfs/dbraw/zinc/46/29/57/926462957.db2.gz BKDHWOFWQDNQMI-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001419146011 926462959 /nfs/dbraw/zinc/46/29/59/926462959.db2.gz BKDHWOFWQDNQMI-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419170583 926463575 /nfs/dbraw/zinc/46/35/75/926463575.db2.gz VNTJZMFMHZCDTB-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419170583 926463583 /nfs/dbraw/zinc/46/35/83/926463583.db2.gz VNTJZMFMHZCDTB-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001419175285 926463668 /nfs/dbraw/zinc/46/36/68/926463668.db2.gz YOPPASPLPVQCHP-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001419174126 926463772 /nfs/dbraw/zinc/46/37/72/926463772.db2.gz MXJZRBGXOJXWDP-WDEREUQCSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001419174126 926463778 /nfs/dbraw/zinc/46/37/78/926463778.db2.gz MXJZRBGXOJXWDP-WDEREUQCSA-N 1 1 309.370 -1.616 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419178367 926464183 /nfs/dbraw/zinc/46/41/83/926464183.db2.gz RECCELWVDKJDRS-JGVFFNPUSA-N 1 1 307.376 -2.896 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419178367 926464187 /nfs/dbraw/zinc/46/41/87/926464187.db2.gz RECCELWVDKJDRS-JGVFFNPUSA-N 1 1 307.376 -2.896 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nncn1C ZINC001419193749 926467175 /nfs/dbraw/zinc/46/71/75/926467175.db2.gz KPUDEHQPMCSKGC-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+][C@H](C)c1nnnn1C ZINC001419277861 926470010 /nfs/dbraw/zinc/47/00/10/926470010.db2.gz NWOZHIRGOSATKT-BDAKNGLRSA-N 1 1 312.378 -1.186 20 0 DAADMO CC[C@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001419269823 926470160 /nfs/dbraw/zinc/47/01/60/926470160.db2.gz UPQWTJSGGFRILQ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001419269823 926470162 /nfs/dbraw/zinc/47/01/62/926470162.db2.gz UPQWTJSGGFRILQ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1(C[NH2+]Cc2nnnn2C)CCCC1 ZINC001419297610 926471913 /nfs/dbraw/zinc/47/19/13/926471913.db2.gz NTKAINFTJOUHQW-VIFPVBQESA-N 1 1 324.389 -1.215 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001419291951 926472027 /nfs/dbraw/zinc/47/20/27/926472027.db2.gz VACDWXPWUYOGGA-GHMZBOCLSA-N 1 1 307.358 -1.519 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001419370707 926472943 /nfs/dbraw/zinc/47/29/43/926472943.db2.gz AVHHLFUDWFTVRU-IUCAKERBSA-N 1 1 317.371 -1.302 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001419349637 926473915 /nfs/dbraw/zinc/47/39/15/926473915.db2.gz QUFYLARZAAMRPU-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnn(C)n2)CC1 ZINC001419359573 926474022 /nfs/dbraw/zinc/47/40/22/926474022.db2.gz HYCVTWTXVJAOCG-XYPYZODXSA-N 1 1 309.374 -1.137 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001419400732 926475635 /nfs/dbraw/zinc/47/56/35/926475635.db2.gz BMCGUYLGOUOJOD-KYZUINATSA-N 1 1 317.371 -1.254 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001419468365 926479801 /nfs/dbraw/zinc/47/98/01/926479801.db2.gz CRCDHESIJBGURJ-DTORHVGOSA-N 1 1 317.371 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1nnn(C)n1 ZINC001419483377 926480221 /nfs/dbraw/zinc/48/02/21/926480221.db2.gz FWXOQSKUJMIMGR-GHMZBOCLSA-N 1 1 323.401 -1.032 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1ncn[nH]1 ZINC001419496665 926482215 /nfs/dbraw/zinc/48/22/15/926482215.db2.gz LBYQMRKQVJQOLI-AXFHLTTASA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1nc[nH]n1 ZINC001419496665 926482218 /nfs/dbraw/zinc/48/22/18/926482218.db2.gz LBYQMRKQVJQOLI-AXFHLTTASA-N 1 1 322.369 -1.362 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001419543186 926483050 /nfs/dbraw/zinc/48/30/50/926483050.db2.gz UYOWIJGMEZCLDZ-QMMMGPOBSA-N 1 1 319.391 -2.399 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001419528718 926483890 /nfs/dbraw/zinc/48/38/90/926483890.db2.gz ZUBFVFKXFNVJLC-LBPRGKRZSA-N 1 1 319.373 -1.207 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419535079 926484019 /nfs/dbraw/zinc/48/40/19/926484019.db2.gz HOQIBIAEWICHKW-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001419525113 926484241 /nfs/dbraw/zinc/48/42/41/926484241.db2.gz BUWZPNNNAXQARU-QWHCGFSZSA-N 1 1 301.387 -1.042 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001419547343 926485593 /nfs/dbraw/zinc/48/55/93/926485593.db2.gz QDXQEFBIJGLJEQ-DCQANWLSSA-N 1 1 324.381 -1.098 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001419547343 926485599 /nfs/dbraw/zinc/48/55/99/926485599.db2.gz QDXQEFBIJGLJEQ-DCQANWLSSA-N 1 1 324.381 -1.098 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001419546706 926486063 /nfs/dbraw/zinc/48/60/63/926486063.db2.gz ZXSJQXVRFGZHTB-QMMMGPOBSA-N 1 1 319.387 -1.231 20 0 DAADMO C[C@@H](O)CN1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581418 926488422 /nfs/dbraw/zinc/48/84/22/926488422.db2.gz WEAYLZYXBYCXIC-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1CCF ZINC001419592866 926489096 /nfs/dbraw/zinc/48/90/96/926489096.db2.gz NIPYISWTBUHIII-JTQLQIEISA-N 1 1 310.395 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC001419592866 926489101 /nfs/dbraw/zinc/48/91/01/926489101.db2.gz NIPYISWTBUHIII-JTQLQIEISA-N 1 1 310.395 -1.020 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001419575177 926489142 /nfs/dbraw/zinc/48/91/42/926489142.db2.gz QSTQTFNPKMQUPX-GFCCVEGCSA-N 1 1 314.386 -2.382 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001419575177 926489147 /nfs/dbraw/zinc/48/91/47/926489147.db2.gz QSTQTFNPKMQUPX-GFCCVEGCSA-N 1 1 314.386 -2.382 20 0 DAADMO C[C@H](O)CN1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581416 926489214 /nfs/dbraw/zinc/48/92/14/926489214.db2.gz WEAYLZYXBYCXIC-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)CN1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581422 926489288 /nfs/dbraw/zinc/48/92/88/926489288.db2.gz WEAYLZYXBYCXIC-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001419588116 926489598 /nfs/dbraw/zinc/48/95/98/926489598.db2.gz FPLPKALIZFSLKZ-JTQLQIEISA-N 1 1 313.358 -1.712 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001419588116 926489602 /nfs/dbraw/zinc/48/96/02/926489602.db2.gz FPLPKALIZFSLKZ-JTQLQIEISA-N 1 1 313.358 -1.712 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001419604109 926490437 /nfs/dbraw/zinc/49/04/37/926490437.db2.gz SQGAPTCJOMSKCO-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001419604109 926490443 /nfs/dbraw/zinc/49/04/43/926490443.db2.gz SQGAPTCJOMSKCO-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCCC[N@H+]1CCCO ZINC001419611673 926491080 /nfs/dbraw/zinc/49/10/80/926491080.db2.gz ATTLXONPQDOASU-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001419663023 926492202 /nfs/dbraw/zinc/49/22/02/926492202.db2.gz OOOOPPZVDFARBR-LVEVGFFFSA-N 1 1 323.397 -1.242 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001419663024 926492367 /nfs/dbraw/zinc/49/23/67/926492367.db2.gz OOOOPPZVDFARBR-ROHXPCBUSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001419665591 926492427 /nfs/dbraw/zinc/49/24/27/926492427.db2.gz ZZUVXAKIJCTZNA-HMUNZLOLSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)NC(N)=O ZINC001419636537 926492813 /nfs/dbraw/zinc/49/28/13/926492813.db2.gz CSNIQNAKLPDJEY-IIEKFROSSA-N 1 1 323.397 -1.290 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001419647897 926493083 /nfs/dbraw/zinc/49/30/83/926493083.db2.gz IYEWDXJKNBVXIK-QUARPLMYSA-N 1 1 309.370 -1.680 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654286 926493145 /nfs/dbraw/zinc/49/31/45/926493145.db2.gz CKJKIRUMHMOYEU-IIEKFROSSA-N 1 1 323.397 -1.371 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654286 926493153 /nfs/dbraw/zinc/49/31/53/926493153.db2.gz CKJKIRUMHMOYEU-IIEKFROSSA-N 1 1 323.397 -1.371 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCS(C)(=O)=O ZINC001419695639 926494345 /nfs/dbraw/zinc/49/43/45/926494345.db2.gz VPKRUQNMEFUNBE-SECBINFHSA-N 1 1 318.403 -1.419 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CCNS(C)(=O)=O ZINC001419677439 926494677 /nfs/dbraw/zinc/49/46/77/926494677.db2.gz JPBYOYBNJMZWNF-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001419692854 926495047 /nfs/dbraw/zinc/49/50/47/926495047.db2.gz YADXSEDZFOBPMK-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001419732912 926496764 /nfs/dbraw/zinc/49/67/64/926496764.db2.gz JQRSNIYQBUIHDS-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001419761671 926497907 /nfs/dbraw/zinc/49/79/07/926497907.db2.gz WTCGHPZBHNZUFD-DTWKUNHWSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419757078 926498024 /nfs/dbraw/zinc/49/80/24/926498024.db2.gz HJZRFEFSBJWKKH-WCBMZHEXSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+][C@H](C)c1nnnn1C ZINC001419761684 926498458 /nfs/dbraw/zinc/49/84/58/926498458.db2.gz WTCGHPZBHNZUFD-RKDXNWHRSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001419799745 926501726 /nfs/dbraw/zinc/50/17/26/926501726.db2.gz WYYPGZCZBKTSKA-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001419854975 926503719 /nfs/dbraw/zinc/50/37/19/926503719.db2.gz TTWDPXPGLNMGQT-ZMLRMANQSA-N 1 1 324.385 -1.075 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001419854977 926504107 /nfs/dbraw/zinc/50/41/07/926504107.db2.gz TVFVINSVJAHIGA-OUAUKWLOSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CC(=O)N1CCOCC1 ZINC001419861488 926505640 /nfs/dbraw/zinc/50/56/40/926505640.db2.gz OVXAPBRZYQUXPY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001419861488 926505647 /nfs/dbraw/zinc/50/56/47/926505647.db2.gz OVXAPBRZYQUXPY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001419875854 926506457 /nfs/dbraw/zinc/50/64/57/926506457.db2.gz VYRIKAICAXOBEO-VIFPVBQESA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN1CCCS1(=O)=O ZINC001419875854 926506464 /nfs/dbraw/zinc/50/64/64/926506464.db2.gz VYRIKAICAXOBEO-VIFPVBQESA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419876912 926506849 /nfs/dbraw/zinc/50/68/49/926506849.db2.gz XVSPGFFYSOVJAQ-DTWKUNHWSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419876912 926506861 /nfs/dbraw/zinc/50/68/61/926506861.db2.gz XVSPGFFYSOVJAQ-DTWKUNHWSA-N 1 1 301.372 -1.053 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001419910251 926507850 /nfs/dbraw/zinc/50/78/50/926507850.db2.gz NYWAHYLJSZDKNI-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1nnnn1C ZINC001419925967 926508220 /nfs/dbraw/zinc/50/82/20/926508220.db2.gz UXFGHZZNFJCLPM-SNVBAGLBSA-N 1 1 305.342 -1.334 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001419955623 926510514 /nfs/dbraw/zinc/51/05/14/926510514.db2.gz GPRWHIRZKIYZET-SECBINFHSA-N 1 1 314.342 -1.475 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001419955623 926510524 /nfs/dbraw/zinc/51/05/24/926510524.db2.gz GPRWHIRZKIYZET-SECBINFHSA-N 1 1 314.342 -1.475 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001419936814 926510691 /nfs/dbraw/zinc/51/06/91/926510691.db2.gz MRSNRPVLACORLV-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)[NH2+]Cc1nnnn1C ZINC001419933141 926510828 /nfs/dbraw/zinc/51/08/28/926510828.db2.gz UQQCFKUDGWCHBY-UWVGGRQHSA-N 1 1 319.373 -1.342 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419937171 926511070 /nfs/dbraw/zinc/51/10/70/926511070.db2.gz QUBOWURHAFVCRX-MWLCHTKSSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+][C@H](C)c1nnnn1C ZINC001419932726 926511175 /nfs/dbraw/zinc/51/11/75/926511175.db2.gz HDCUTEPEWPKZBR-RKDXNWHRSA-N 1 1 322.373 -1.284 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001419957927 926511584 /nfs/dbraw/zinc/51/15/84/926511584.db2.gz SORLBDQRLHXHKH-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001419944971 926511698 /nfs/dbraw/zinc/51/16/98/926511698.db2.gz COACPIGGUGKGSP-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001419944971 926511696 /nfs/dbraw/zinc/51/16/96/926511696.db2.gz COACPIGGUGKGSP-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001419957930 926511749 /nfs/dbraw/zinc/51/17/49/926511749.db2.gz SORLBDQRLHXHKH-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1cn[nH]n1 ZINC001419984340 926512648 /nfs/dbraw/zinc/51/26/48/926512648.db2.gz XMXCDLGFMPLSPC-UHFFFAOYSA-N 1 1 310.358 -1.333 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1cn[nH]n1 ZINC001419984340 926512653 /nfs/dbraw/zinc/51/26/53/926512653.db2.gz XMXCDLGFMPLSPC-UHFFFAOYSA-N 1 1 310.358 -1.333 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001419962783 926512871 /nfs/dbraw/zinc/51/28/71/926512871.db2.gz DJKMUDSRCKCMHK-VHSXEESVSA-N 1 1 301.391 -1.090 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001419962783 926512880 /nfs/dbraw/zinc/51/28/80/926512880.db2.gz DJKMUDSRCKCMHK-VHSXEESVSA-N 1 1 301.391 -1.090 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001419968396 926513134 /nfs/dbraw/zinc/51/31/34/926513134.db2.gz WDHOMQZQWMGYQW-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001419968396 926513143 /nfs/dbraw/zinc/51/31/43/926513143.db2.gz WDHOMQZQWMGYQW-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1ncn(C)c1=O ZINC001419976420 926513238 /nfs/dbraw/zinc/51/32/38/926513238.db2.gz GHNYEUVSNLTMCB-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1ncn(C)c1=O ZINC001419976420 926513246 /nfs/dbraw/zinc/51/32/46/926513246.db2.gz GHNYEUVSNLTMCB-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001419976847 926513357 /nfs/dbraw/zinc/51/33/57/926513357.db2.gz IARWBOBALZLXGQ-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001419976847 926513362 /nfs/dbraw/zinc/51/33/62/926513362.db2.gz IARWBOBALZLXGQ-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001419965345 926513660 /nfs/dbraw/zinc/51/36/60/926513660.db2.gz CXKUSJALIGNQIL-ZDUSSCGKSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N1CCC1 ZINC001419962364 926513704 /nfs/dbraw/zinc/51/37/04/926513704.db2.gz NDCQWWITLSXPDE-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N1CCC1 ZINC001419962364 926513712 /nfs/dbraw/zinc/51/37/12/926513712.db2.gz NDCQWWITLSXPDE-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N1CCC1 ZINC001419962365 926513850 /nfs/dbraw/zinc/51/38/50/926513850.db2.gz NDCQWWITLSXPDE-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N1CCC1 ZINC001419962365 926513859 /nfs/dbraw/zinc/51/38/59/926513859.db2.gz NDCQWWITLSXPDE-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001419993167 926515356 /nfs/dbraw/zinc/51/53/56/926515356.db2.gz GNHOCUNEWSEYJC-IAZYJMLFSA-N 1 1 312.370 -1.275 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001419993167 926515359 /nfs/dbraw/zinc/51/53/59/926515359.db2.gz GNHOCUNEWSEYJC-IAZYJMLFSA-N 1 1 312.370 -1.275 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001420034488 926516476 /nfs/dbraw/zinc/51/64/76/926516476.db2.gz BFCNDRJETIDYLP-BDAKNGLRSA-N 1 1 323.357 -1.076 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001420052852 926517098 /nfs/dbraw/zinc/51/70/98/926517098.db2.gz VUWHILKGMHUPQQ-NSHDSACASA-N 1 1 310.402 -1.050 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001420056961 926518087 /nfs/dbraw/zinc/51/80/87/926518087.db2.gz OTUFKADUWJQKNX-SNVBAGLBSA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001420056961 926518092 /nfs/dbraw/zinc/51/80/92/926518092.db2.gz OTUFKADUWJQKNX-SNVBAGLBSA-N 1 1 301.391 -1.088 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420065076 926518701 /nfs/dbraw/zinc/51/87/01/926518701.db2.gz ZVDBQTCZVGOVBG-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420065076 926518707 /nfs/dbraw/zinc/51/87/07/926518707.db2.gz ZVDBQTCZVGOVBG-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO Cc1nccc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001420062000 926519176 /nfs/dbraw/zinc/51/91/76/926519176.db2.gz MVDQBIKUWQQAAV-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1nccc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001420062000 926519182 /nfs/dbraw/zinc/51/91/82/926519182.db2.gz MVDQBIKUWQQAAV-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001420069832 926519534 /nfs/dbraw/zinc/51/95/34/926519534.db2.gz JEPGMNVVOJZRLV-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001420075887 926519773 /nfs/dbraw/zinc/51/97/73/926519773.db2.gz XXLPXGIDNPNGCT-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001420086321 926520294 /nfs/dbraw/zinc/52/02/94/926520294.db2.gz ADJQNRDZOKCJKU-JTQLQIEISA-N 1 1 321.341 -1.326 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)oc1C ZINC001420090134 926521412 /nfs/dbraw/zinc/52/14/12/926521412.db2.gz BTJXQGUUHOQDKB-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC001420083206 926521805 /nfs/dbraw/zinc/52/18/05/926521805.db2.gz RWJBQEJWXJRCPL-VIFPVBQESA-N 1 1 317.777 -1.224 20 0 DAADMO CC[C@H](SC)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420098558 926522342 /nfs/dbraw/zinc/52/23/42/926522342.db2.gz GHURNYNPGKMTQT-BDAKNGLRSA-N 1 1 302.404 -1.082 20 0 DAADMO CC[C@@H](SC)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420098594 926523347 /nfs/dbraw/zinc/52/33/47/926523347.db2.gz GHURNYNPGKMTQT-RKDXNWHRSA-N 1 1 302.404 -1.082 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001420108985 926524478 /nfs/dbraw/zinc/52/44/78/926524478.db2.gz KPKKAOFXCGMEHK-WDEREUQCSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001420108976 926524835 /nfs/dbraw/zinc/52/48/35/926524835.db2.gz KPKKAOFXCGMEHK-MNOVXSKESA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001420106759 926525357 /nfs/dbraw/zinc/52/53/57/926525357.db2.gz LJPMXNQAEOPUJG-WDEREUQCSA-N 1 1 307.354 -1.370 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001420115192 926526451 /nfs/dbraw/zinc/52/64/51/926526451.db2.gz MUHGPTWJNCMAQT-MNOVXSKESA-N 1 1 322.373 -1.283 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001420109628 926526546 /nfs/dbraw/zinc/52/65/46/926526546.db2.gz MAKJHKUZMPIGDE-VHSXEESVSA-N 1 1 311.342 -1.665 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001420113705 926526843 /nfs/dbraw/zinc/52/68/43/926526843.db2.gz OUIMQIMBJHVVDP-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)ncn1 ZINC001420110271 926527086 /nfs/dbraw/zinc/52/70/86/926527086.db2.gz NCEXCVICBOEVDS-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)ncn1 ZINC001420117023 926529140 /nfs/dbraw/zinc/52/91/40/926529140.db2.gz VCELXJUNAUDPMW-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001420115903 926529838 /nfs/dbraw/zinc/52/98/38/926529838.db2.gz RHHYPRUJRGACGY-NSHDSACASA-N 1 1 307.354 -1.431 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001420116915 926530139 /nfs/dbraw/zinc/53/01/39/926530139.db2.gz SKOGRSSEHLDLSB-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COCCO2)n1 ZINC001420119878 926530867 /nfs/dbraw/zinc/53/08/67/926530867.db2.gz WSDLOHPUIAEMJO-NWDGAFQWSA-N 1 1 313.358 -1.720 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)[nH]n1 ZINC001420121245 926531683 /nfs/dbraw/zinc/53/16/83/926531683.db2.gz YJOKSWBQDBGPSP-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)n1 ZINC001420119866 926531850 /nfs/dbraw/zinc/53/18/50/926531850.db2.gz WSDLOHPUIAEMJO-NEPJUHHUSA-N 1 1 313.358 -1.720 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420121042 926531883 /nfs/dbraw/zinc/53/18/83/926531883.db2.gz BIFZOZKPXDJCAP-SECBINFHSA-N 1 1 322.373 -1.063 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC2CC2)n[nH]1 ZINC001420126222 926532592 /nfs/dbraw/zinc/53/25/92/926532592.db2.gz IQYGKJZAVJFIJF-KCJUWKMLSA-N 1 1 324.385 -1.611 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CC2)n[nH]1 ZINC001420126220 926533090 /nfs/dbraw/zinc/53/30/90/926533090.db2.gz IQYGKJZAVJFIJF-GZMMTYOYSA-N 1 1 324.385 -1.611 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cncc2nc[nH]c21 ZINC001420128475 926533141 /nfs/dbraw/zinc/53/31/41/926533141.db2.gz QUANUQUBLNQXTK-ZJUUUORDSA-N 1 1 323.353 -1.355 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C)n[nH]1 ZINC001420129496 926534101 /nfs/dbraw/zinc/53/41/01/926534101.db2.gz RPYFIWLHGWJFNJ-PSASIEDQSA-N 1 1 312.374 -1.801 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1cn[nH]c(=O)c1 ZINC001420134287 926534951 /nfs/dbraw/zinc/53/49/51/926534951.db2.gz MCVILAQMJJMASU-SNVBAGLBSA-N 1 1 304.310 -1.147 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001420133247 926535567 /nfs/dbraw/zinc/53/55/67/926535567.db2.gz ICTVWIURFGBGME-SNVBAGLBSA-N 1 1 321.341 -2.211 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001420135918 926537411 /nfs/dbraw/zinc/53/74/11/926537411.db2.gz GYPISURHQCTJQO-LBPRGKRZSA-N 1 1 321.385 -1.334 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001420137062 926538076 /nfs/dbraw/zinc/53/80/76/926538076.db2.gz XYDZQLMXTCCLQJ-JTQLQIEISA-N 1 1 322.373 -1.695 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001420137821 926538501 /nfs/dbraw/zinc/53/85/01/926538501.db2.gz LENIYPIUKONDLP-GHMZBOCLSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420142587 926539354 /nfs/dbraw/zinc/53/93/54/926539354.db2.gz FHYRTXHFGBQJDO-RYUDHWBXSA-N 1 1 310.402 -1.134 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)[nH]n1 ZINC001420140842 926540151 /nfs/dbraw/zinc/54/01/51/926540151.db2.gz CPGDJVUPFBXHLJ-VIFPVBQESA-N 1 1 323.357 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001420148247 926541510 /nfs/dbraw/zinc/54/15/10/926541510.db2.gz XCIHGUPHCFLSGA-VIFPVBQESA-N 1 1 320.357 -1.767 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)co1 ZINC001420146911 926541891 /nfs/dbraw/zinc/54/18/91/926541891.db2.gz AJRDKSBBYHWMPE-SNVBAGLBSA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001420145712 926542175 /nfs/dbraw/zinc/54/21/75/926542175.db2.gz TYAXHHPANKIKMQ-GFCCVEGCSA-N 1 1 321.385 -1.334 20 0 DAADMO CN1CC(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)=NC1=O ZINC001420151457 926543899 /nfs/dbraw/zinc/54/38/99/926543899.db2.gz WVGFUHZYHTXAJN-SECBINFHSA-N 1 1 311.342 -1.915 20 0 DAADMO CO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)C1CCC1 ZINC001420155806 926544144 /nfs/dbraw/zinc/54/41/44/926544144.db2.gz LQUXWCVAUVKGBY-CMPLNLGQSA-N 1 1 312.374 -1.408 20 0 DAADMO CN1CC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)=NC1=O ZINC001420151468 926544293 /nfs/dbraw/zinc/54/42/93/926544293.db2.gz WVGFUHZYHTXAJN-VIFPVBQESA-N 1 1 311.342 -1.915 20 0 DAADMO O=C(CN1CCCCC1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001420154419 926545006 /nfs/dbraw/zinc/54/50/06/926545006.db2.gz KBOGJSKFAROMOR-NSHDSACASA-N 1 1 311.342 -1.351 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)co1 ZINC001420149413 926545072 /nfs/dbraw/zinc/54/50/72/926545072.db2.gz WMWANEWDESSYEB-NSHDSACASA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420156682 926546442 /nfs/dbraw/zinc/54/64/42/926546442.db2.gz BPBKSDJIJSZHJQ-SNVBAGLBSA-N 1 1 321.341 -1.500 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001420155825 926546826 /nfs/dbraw/zinc/54/68/26/926546826.db2.gz NVIMAUINAMGMGM-JOYOIKCWSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nn1 ZINC001420155841 926547688 /nfs/dbraw/zinc/54/76/88/926547688.db2.gz MENUXMIGCGBXLQ-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)nn1C ZINC001420162809 926549401 /nfs/dbraw/zinc/54/94/01/926549401.db2.gz UUDCDDOBLNZXGL-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001420172861 926550666 /nfs/dbraw/zinc/55/06/66/926550666.db2.gz KPCUIYOPOAPNJN-IEBDPFPHSA-N 1 1 310.354 -1.075 20 0 DAADMO Cc1ccoc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001420173641 926550756 /nfs/dbraw/zinc/55/07/56/926550756.db2.gz IOTPCLXKESPIJJ-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001420172988 926551066 /nfs/dbraw/zinc/55/10/66/926551066.db2.gz PKCCVWJOCQSNHN-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)O1 ZINC001420172916 926551137 /nfs/dbraw/zinc/55/11/37/926551137.db2.gz KVDHFPBJJGPFTE-OUAUKWLOSA-N 1 1 312.326 -1.726 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420167583 926551641 /nfs/dbraw/zinc/55/16/41/926551641.db2.gz VWUMZXCLBWXTRL-DTWKUNHWSA-N 1 1 311.346 -2.595 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420167585 926551673 /nfs/dbraw/zinc/55/16/73/926551673.db2.gz VWUMZXCLBWXTRL-IUCAKERBSA-N 1 1 311.346 -2.595 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1ncc[nH]1)c1nncn1C ZINC001420181137 926552493 /nfs/dbraw/zinc/55/24/93/926552493.db2.gz CDHNSEWAXIXZJV-ZJUUUORDSA-N 1 1 307.358 -1.091 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CCC(=O)N1 ZINC001420175608 926553029 /nfs/dbraw/zinc/55/30/29/926553029.db2.gz NFONFHQEENIGRA-HZMBPMFUSA-N 1 1 307.354 -1.288 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177070 926553294 /nfs/dbraw/zinc/55/32/94/926553294.db2.gz DSZKULPLAPZAQP-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177070 926553300 /nfs/dbraw/zinc/55/33/00/926553300.db2.gz DSZKULPLAPZAQP-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177077 926553454 /nfs/dbraw/zinc/55/34/54/926553454.db2.gz DSZKULPLAPZAQP-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177077 926553463 /nfs/dbraw/zinc/55/34/63/926553463.db2.gz DSZKULPLAPZAQP-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177073 926554212 /nfs/dbraw/zinc/55/42/12/926554212.db2.gz DSZKULPLAPZAQP-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177073 926554220 /nfs/dbraw/zinc/55/42/20/926554220.db2.gz DSZKULPLAPZAQP-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001420176954 926554612 /nfs/dbraw/zinc/55/46/12/926554612.db2.gz VNWJKRHXZBSJAG-AXFHLTTASA-N 1 1 324.385 -1.453 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001420182668 926555468 /nfs/dbraw/zinc/55/54/68/926555468.db2.gz HEFVANFBXKIEQQ-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001420181723 926555775 /nfs/dbraw/zinc/55/57/75/926555775.db2.gz DGTCVZQOQPLOCH-CBAPKCEASA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001420181727 926556050 /nfs/dbraw/zinc/55/60/50/926556050.db2.gz DGTCVZQOQPLOCH-VXNVDRBHSA-N 1 1 308.346 -1.317 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1cnnn1)c1ncccn1 ZINC001420181856 926556655 /nfs/dbraw/zinc/55/66/55/926556655.db2.gz DTTJTICQJMBKOD-MNOVXSKESA-N 1 1 320.357 -1.319 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420191214 926557363 /nfs/dbraw/zinc/55/73/63/926557363.db2.gz KHHGXUCRLDHVKX-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420191214 926557368 /nfs/dbraw/zinc/55/73/68/926557368.db2.gz KHHGXUCRLDHVKX-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c[nH]1 ZINC001420191492 926558463 /nfs/dbraw/zinc/55/84/63/926558463.db2.gz FBXQKMLARFORSX-SECBINFHSA-N 1 1 321.341 -1.913 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1 ZINC001420196023 926560182 /nfs/dbraw/zinc/56/01/82/926560182.db2.gz ZYAMAIRLFHXULF-SECBINFHSA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001420194517 926560230 /nfs/dbraw/zinc/56/02/30/926560230.db2.gz SAJNJHRQJORXJD-SECBINFHSA-N 1 1 311.346 -1.657 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001420194517 926560236 /nfs/dbraw/zinc/56/02/36/926560236.db2.gz SAJNJHRQJORXJD-SECBINFHSA-N 1 1 311.346 -1.657 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cncn1C)c1nnnn1C ZINC001420194872 926560293 /nfs/dbraw/zinc/56/02/93/926560293.db2.gz KVWBSINEYFVLIH-ONGXEEELSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C)c1nnnn1C ZINC001420194869 926560594 /nfs/dbraw/zinc/56/05/94/926560594.db2.gz KVWBSINEYFVLIH-MWLCHTKSSA-N 1 1 322.373 -1.686 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC001420195497 926561469 /nfs/dbraw/zinc/56/14/69/926561469.db2.gz FTZBYDJWOJXRCH-FZMZJTMJSA-N 1 1 323.401 -1.737 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001420203475 926562721 /nfs/dbraw/zinc/56/27/21/926562721.db2.gz XKJYNECCZPNOKH-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001420198624 926562946 /nfs/dbraw/zinc/56/29/46/926562946.db2.gz QSCYHIKVESOTMM-MRVPVSSYSA-N 1 1 309.330 -1.359 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)c1 ZINC001420200681 926563111 /nfs/dbraw/zinc/56/31/11/926563111.db2.gz USNVLKIFJJEMLR-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O)c1 ZINC001420200681 926563114 /nfs/dbraw/zinc/56/31/14/926563114.db2.gz USNVLKIFJJEMLR-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001420203469 926563351 /nfs/dbraw/zinc/56/33/51/926563351.db2.gz XKJYNECCZPNOKH-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001420206976 926565199 /nfs/dbraw/zinc/56/51/99/926565199.db2.gz CRNIQJDVZSBGGR-ZDUSSCGKSA-N 1 1 321.385 -1.023 20 0 DAADMO COc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001420204133 926565546 /nfs/dbraw/zinc/56/55/46/926565546.db2.gz YTBYIYKGMMLFBT-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001420207646 926565895 /nfs/dbraw/zinc/56/58/95/926565895.db2.gz CGZMLMNTRXKHRQ-MRVPVSSYSA-N 1 1 308.360 -2.308 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CCNS(C)(=O)=O ZINC001420207646 926565900 /nfs/dbraw/zinc/56/59/00/926565900.db2.gz CGZMLMNTRXKHRQ-MRVPVSSYSA-N 1 1 308.360 -2.308 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)[nH]1 ZINC001420207400 926566228 /nfs/dbraw/zinc/56/62/28/926566228.db2.gz UUSJKPDUGJIPNA-SECBINFHSA-N 1 1 321.341 -1.913 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1 ZINC001420210284 926566424 /nfs/dbraw/zinc/56/64/24/926566424.db2.gz ITLMBESXABKQON-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)Cn1ncnn1)CS(C)(=O)=O ZINC001420218087 926567649 /nfs/dbraw/zinc/56/76/49/926567649.db2.gz OGUKVEDIMDGBBB-JTQLQIEISA-N 1 1 318.403 -1.598 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)Cn1ncnn1)CS(C)(=O)=O ZINC001420218087 926567657 /nfs/dbraw/zinc/56/76/57/926567657.db2.gz OGUKVEDIMDGBBB-JTQLQIEISA-N 1 1 318.403 -1.598 20 0 DAADMO C[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)CCNS(C)(=O)=O ZINC001420222046 926568397 /nfs/dbraw/zinc/56/83/97/926568397.db2.gz UVPHBMIYKIXXTC-JQWIXIFHSA-N 1 1 305.400 -1.380 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)CCNS(C)(=O)=O ZINC001420222046 926568404 /nfs/dbraw/zinc/56/84/04/926568404.db2.gz UVPHBMIYKIXXTC-JQWIXIFHSA-N 1 1 305.400 -1.380 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001420214557 926568691 /nfs/dbraw/zinc/56/86/91/926568691.db2.gz SFSZGRCXFMMLNQ-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001420214557 926568698 /nfs/dbraw/zinc/56/86/98/926568698.db2.gz SFSZGRCXFMMLNQ-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001420232002 926569721 /nfs/dbraw/zinc/56/97/21/926569721.db2.gz FPZUKNJHMCWTMF-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001420232002 926569727 /nfs/dbraw/zinc/56/97/27/926569727.db2.gz FPZUKNJHMCWTMF-SECBINFHSA-N 1 1 311.390 -1.108 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001420248850 926569866 /nfs/dbraw/zinc/56/98/66/926569866.db2.gz ASUFLXKCOKKLNN-JTQLQIEISA-N 1 1 301.347 -2.363 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420240722 926570136 /nfs/dbraw/zinc/57/01/36/926570136.db2.gz OCYJVFFCIUXVMP-UWVGGRQHSA-N 1 1 324.389 -1.267 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001420236350 926570765 /nfs/dbraw/zinc/57/07/65/926570765.db2.gz YMTPWZPJBULSQI-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001420247070 926570795 /nfs/dbraw/zinc/57/07/95/926570795.db2.gz PDNOMTOWTKYZPU-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001420247070 926570803 /nfs/dbraw/zinc/57/08/03/926570803.db2.gz PDNOMTOWTKYZPU-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO Cc1c(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001420232004 926571051 /nfs/dbraw/zinc/57/10/51/926571051.db2.gz ATEHESWWYCCSTL-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO Cc1c(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001420232004 926571057 /nfs/dbraw/zinc/57/10/57/926571057.db2.gz ATEHESWWYCCSTL-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420240724 926571136 /nfs/dbraw/zinc/57/11/36/926571136.db2.gz OCYJVFFCIUXVMP-VHSXEESVSA-N 1 1 324.389 -1.267 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)cc1=O ZINC001420258308 926572475 /nfs/dbraw/zinc/57/24/75/926572475.db2.gz SJGNDXHYLBGDDY-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)cc1=O ZINC001420258308 926572484 /nfs/dbraw/zinc/57/24/84/926572484.db2.gz SJGNDXHYLBGDDY-NSHDSACASA-N 1 1 307.354 -1.280 20 0 DAADMO CCc1c(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001420262373 926573151 /nfs/dbraw/zinc/57/31/51/926573151.db2.gz ZFTYIYPEMZTGFV-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO CCc1c(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001420262373 926573159 /nfs/dbraw/zinc/57/31/59/926573159.db2.gz ZFTYIYPEMZTGFV-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1N)CCN1CCNC1=O ZINC001420273587 926574699 /nfs/dbraw/zinc/57/46/99/926574699.db2.gz CAJMZYSKINLWAW-UHFFFAOYSA-N 1 1 307.358 -1.254 20 0 DAADMO CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420274750 926574840 /nfs/dbraw/zinc/57/48/40/926574840.db2.gz VMDGXFWHQDAMLY-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420274750 926574850 /nfs/dbraw/zinc/57/48/50/926574850.db2.gz VMDGXFWHQDAMLY-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001420275094 926575493 /nfs/dbraw/zinc/57/54/93/926575493.db2.gz WQKQKICVBJLVDY-BDAKNGLRSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001420306917 926576702 /nfs/dbraw/zinc/57/67/02/926576702.db2.gz GUQONXJITGGXLV-MRVPVSSYSA-N 1 1 308.298 -1.374 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001420289687 926576878 /nfs/dbraw/zinc/57/68/78/926576878.db2.gz MJNWJLOKQGIPPF-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001420298049 926576962 /nfs/dbraw/zinc/57/69/62/926576962.db2.gz DTHQGNDYSOJXMI-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001420298049 926576970 /nfs/dbraw/zinc/57/69/70/926576970.db2.gz DTHQGNDYSOJXMI-VHSXEESVSA-N 1 1 309.374 -1.453 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)[nH]c1=O ZINC001420289685 926577295 /nfs/dbraw/zinc/57/72/95/926577295.db2.gz KUJLKQACTLUUSC-UHFFFAOYSA-N 1 1 319.387 -1.664 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)[nH]c1=O ZINC001420289685 926577299 /nfs/dbraw/zinc/57/72/99/926577299.db2.gz KUJLKQACTLUUSC-UHFFFAOYSA-N 1 1 319.387 -1.664 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294421 926578193 /nfs/dbraw/zinc/57/81/93/926578193.db2.gz OMAKHTDESVSLTK-ZJUUUORDSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294421 926578204 /nfs/dbraw/zinc/57/82/04/926578204.db2.gz OMAKHTDESVSLTK-ZJUUUORDSA-N 1 1 318.374 -1.460 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001420290820 926578554 /nfs/dbraw/zinc/57/85/54/926578554.db2.gz XOMZSUSGHFFLET-NSHDSACASA-N 1 1 308.342 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001420298052 926578765 /nfs/dbraw/zinc/57/87/65/926578765.db2.gz DTHQGNDYSOJXMI-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001420298052 926578775 /nfs/dbraw/zinc/57/87/75/926578775.db2.gz DTHQGNDYSOJXMI-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO CCn1nc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)ccc1=O ZINC001420313059 926579212 /nfs/dbraw/zinc/57/92/12/926579212.db2.gz GGYMKLQDBLMZTB-NSHDSACASA-N 1 1 307.354 -1.187 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)ccc1=O ZINC001420313059 926579216 /nfs/dbraw/zinc/57/92/16/926579216.db2.gz GGYMKLQDBLMZTB-NSHDSACASA-N 1 1 307.354 -1.187 20 0 DAADMO CCn1nc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)ccc1=O ZINC001420313048 926579421 /nfs/dbraw/zinc/57/94/21/926579421.db2.gz GGYMKLQDBLMZTB-LLVKDONJSA-N 1 1 307.354 -1.187 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)ccc1=O ZINC001420313048 926579432 /nfs/dbraw/zinc/57/94/32/926579432.db2.gz GGYMKLQDBLMZTB-LLVKDONJSA-N 1 1 307.354 -1.187 20 0 DAADMO Cc1ncc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c(C)n1 ZINC001420315973 926579874 /nfs/dbraw/zinc/57/98/74/926579874.db2.gz LTJRYPVQSQQWIZ-UHFFFAOYSA-N 1 1 308.342 -1.050 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c(C)n1 ZINC001420315973 926579884 /nfs/dbraw/zinc/57/98/84/926579884.db2.gz LTJRYPVQSQQWIZ-UHFFFAOYSA-N 1 1 308.342 -1.050 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420319525 926579904 /nfs/dbraw/zinc/57/99/04/926579904.db2.gz VRNNJCMZVOOSHO-MRVPVSSYSA-N 1 1 309.330 -2.623 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001420328934 926582185 /nfs/dbraw/zinc/58/21/85/926582185.db2.gz KHNXBDKROJQQLK-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC001420328934 926582193 /nfs/dbraw/zinc/58/21/93/926582193.db2.gz KHNXBDKROJQQLK-QMMMGPOBSA-N 1 1 311.346 -1.761 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)c(=O)n1C ZINC001420346852 926582873 /nfs/dbraw/zinc/58/28/73/926582873.db2.gz WKDSDHZYQNADJQ-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)c(=O)n1C ZINC001420346852 926582876 /nfs/dbraw/zinc/58/28/76/926582876.db2.gz WKDSDHZYQNADJQ-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001420347948 926582967 /nfs/dbraw/zinc/58/29/67/926582967.db2.gz UMTBGZGVEGBZSB-VIFPVBQESA-N 1 1 309.326 -1.964 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001420347948 926582973 /nfs/dbraw/zinc/58/29/73/926582973.db2.gz UMTBGZGVEGBZSB-VIFPVBQESA-N 1 1 309.326 -1.964 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420342020 926583118 /nfs/dbraw/zinc/58/31/18/926583118.db2.gz ZFMKHNBJMNJRCL-OUAUKWLOSA-N 1 1 324.385 -1.075 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420334102 926583348 /nfs/dbraw/zinc/58/33/48/926583348.db2.gz RFXPPHROESTJGL-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420334102 926583352 /nfs/dbraw/zinc/58/33/52/926583352.db2.gz RFXPPHROESTJGL-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001420343180 926583637 /nfs/dbraw/zinc/58/36/37/926583637.db2.gz MNHGLDQHPKVGGU-QNSHHTMESA-N 1 1 307.358 -1.276 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420328781 926583733 /nfs/dbraw/zinc/58/37/33/926583733.db2.gz UIDPOMHDRBEXPM-MRVPVSSYSA-N 1 1 319.391 -2.537 20 0 DAADMO COc1c(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)cnn1C ZINC001420363407 926585023 /nfs/dbraw/zinc/58/50/23/926585023.db2.gz PLLGNVRMNDVYCO-MRVPVSSYSA-N 1 1 308.346 -1.140 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCCN(C)C1=O ZINC001420365747 926585115 /nfs/dbraw/zinc/58/51/15/926585115.db2.gz DQBCXAVGPQHDDB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@@H+](C)CCN2CCNC2=O)nn1 ZINC001420363648 926585356 /nfs/dbraw/zinc/58/53/56/926585356.db2.gz JUAKOJVXGCMWBR-UHFFFAOYSA-N 1 1 323.401 -1.179 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)N(C)C)C1 ZINC001420351810 926585419 /nfs/dbraw/zinc/58/54/19/926585419.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)CC(=O)N(C)C)C1 ZINC001420351810 926585424 /nfs/dbraw/zinc/58/54/24/926585424.db2.gz NEDCHROZQIYMMQ-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2ncccn2)c(=O)n1C ZINC001420367352 926585700 /nfs/dbraw/zinc/58/57/00/926585700.db2.gz OBVOUSLZASVIJA-SNVBAGLBSA-N 1 1 319.369 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)CCS(=O)(=O)NC)[C@H]1CCNC1=O ZINC001420385075 926586896 /nfs/dbraw/zinc/58/68/96/926586896.db2.gz HDLFPMSPSCLZQA-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001420380152 926586989 /nfs/dbraw/zinc/58/69/89/926586989.db2.gz CCXQVUSQRQZILZ-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CCN1CCNC1=O ZINC001420381370 926587375 /nfs/dbraw/zinc/58/73/75/926587375.db2.gz FYLJSGGRRAGBMQ-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCN1CCCC1=O ZINC001420422761 926588935 /nfs/dbraw/zinc/58/89/35/926588935.db2.gz BPIKCXCCATVIEP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](C)NC(=O)Cn2ncnn2)n1 ZINC001420419200 926589000 /nfs/dbraw/zinc/58/90/00/926589000.db2.gz GHAUVBUYPJUFHL-VIFPVBQESA-N 1 1 307.362 -1.113 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NCC1CC1 ZINC001420416966 926589791 /nfs/dbraw/zinc/58/97/91/926589791.db2.gz OCVQGIFUGHPIGR-UHFFFAOYSA-N 1 1 309.374 -1.212 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NCC1CC1 ZINC001420416966 926589797 /nfs/dbraw/zinc/58/97/97/926589797.db2.gz OCVQGIFUGHPIGR-UHFFFAOYSA-N 1 1 309.374 -1.212 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H]1CCCNC1=O ZINC001420403013 926589993 /nfs/dbraw/zinc/58/99/93/926589993.db2.gz KFBHSQUBJGSMMQ-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001420404146 926590340 /nfs/dbraw/zinc/59/03/40/926590340.db2.gz LFGVGIGJUNGNFS-UHFFFAOYSA-N 1 1 300.403 -1.419 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)Cc1nnc[nH]1 ZINC001420437748 926591622 /nfs/dbraw/zinc/59/16/22/926591622.db2.gz PEUXNNQUOWFHOR-GHMZBOCLSA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001420446871 926591891 /nfs/dbraw/zinc/59/18/91/926591891.db2.gz XWGLJHIQIHNNTJ-QMMMGPOBSA-N 1 1 322.329 -2.233 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)CC(=O)N1CCC1 ZINC001420445655 926592217 /nfs/dbraw/zinc/59/22/17/926592217.db2.gz XSDDOHKFGIUIBM-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)CC(=O)N1CCC1 ZINC001420445655 926592224 /nfs/dbraw/zinc/59/22/24/926592224.db2.gz XSDDOHKFGIUIBM-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)CCn2cnnn2)nn1 ZINC001420480439 926593550 /nfs/dbraw/zinc/59/35/50/926593550.db2.gz YILJQEBNLCXLRK-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)[C@H]1CNC(=O)N1 ZINC001420457008 926594009 /nfs/dbraw/zinc/59/40/09/926594009.db2.gz KEEUHOKBKYVPOR-VHSXEESVSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420467596 926594066 /nfs/dbraw/zinc/59/40/66/926594066.db2.gz WKDKLIHEFIAHHW-LPEHRKFASA-N 1 1 310.358 -1.558 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)COC ZINC001420468173 926594341 /nfs/dbraw/zinc/59/43/41/926594341.db2.gz ITGFHGHHIGRDGB-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420458175 926594634 /nfs/dbraw/zinc/59/46/34/926594634.db2.gz QIUCJFMUVQSYFJ-CBAPKCEASA-N 1 1 308.346 -1.716 20 0 DAADMO COc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)n1 ZINC001420478177 926594702 /nfs/dbraw/zinc/59/47/02/926594702.db2.gz MLKIKJQBHIXNCV-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCCS(C)(=O)=O ZINC001420481670 926594774 /nfs/dbraw/zinc/59/47/74/926594774.db2.gz DHEWWFCKBBRIGT-VIFPVBQESA-N 1 1 318.403 -1.371 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001420479908 926595084 /nfs/dbraw/zinc/59/50/84/926595084.db2.gz FBTMRYRVKMFOLO-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)COC ZINC001420468170 926595210 /nfs/dbraw/zinc/59/52/10/926595210.db2.gz ITGFHGHHIGRDGB-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420485110 926596356 /nfs/dbraw/zinc/59/63/56/926596356.db2.gz XUCNCCMPZLMCHW-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001420496629 926596371 /nfs/dbraw/zinc/59/63/71/926596371.db2.gz BKMJMSQUGBOWNR-KGLIPLIRSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cn1 ZINC001420511724 926596715 /nfs/dbraw/zinc/59/67/15/926596715.db2.gz DICLEWACBDKKKA-JTQLQIEISA-N 1 1 322.369 -1.404 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC001420485868 926596905 /nfs/dbraw/zinc/59/69/05/926596905.db2.gz QCCKDKKXISCKIH-MNOVXSKESA-N 1 1 322.369 -1.565 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001420485224 926597514 /nfs/dbraw/zinc/59/75/14/926597514.db2.gz LZNGDIAWOFNSBZ-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001420485224 926597525 /nfs/dbraw/zinc/59/75/25/926597525.db2.gz LZNGDIAWOFNSBZ-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccon2)C1 ZINC001420511398 926597735 /nfs/dbraw/zinc/59/77/35/926597735.db2.gz CASNMTXVRISKFG-VIFPVBQESA-N 1 1 309.326 -1.150 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001420496643 926597784 /nfs/dbraw/zinc/59/77/84/926597784.db2.gz BKMJMSQUGBOWNR-ZIAGYGMSSA-N 1 1 323.397 -1.182 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001420529092 926598643 /nfs/dbraw/zinc/59/86/43/926598643.db2.gz FBUVZODYTMXYHA-SNVBAGLBSA-N 1 1 310.354 -1.034 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]cn2)C1 ZINC001420535510 926599150 /nfs/dbraw/zinc/59/91/50/926599150.db2.gz UOQYDVCJSBCVTP-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001420537293 926599244 /nfs/dbraw/zinc/59/92/44/926599244.db2.gz JLFKVRZELOCOFN-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001420537293 926599251 /nfs/dbraw/zinc/59/92/51/926599251.db2.gz JLFKVRZELOCOFN-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@@H+](CCO)C2)c1=O ZINC001420531670 926599537 /nfs/dbraw/zinc/59/95/37/926599537.db2.gz OZUDOCLNWYJPNC-LLVKDONJSA-N 1 1 310.354 -2.023 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001420538729 926599745 /nfs/dbraw/zinc/59/97/45/926599745.db2.gz KUDYUGLILMJHBY-SECBINFHSA-N 1 1 317.371 -1.330 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001420521292 926600201 /nfs/dbraw/zinc/60/02/01/926600201.db2.gz ZKMGGCWLDLMKEY-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001420553768 926600834 /nfs/dbraw/zinc/60/08/34/926600834.db2.gz FTEAOUGYEJOKGM-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001420553768 926600840 /nfs/dbraw/zinc/60/08/40/926600840.db2.gz FTEAOUGYEJOKGM-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001420543545 926600882 /nfs/dbraw/zinc/60/08/82/926600882.db2.gz YQXUUMOVVDZCEH-JTQLQIEISA-N 1 1 307.354 -1.042 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001420545715 926600940 /nfs/dbraw/zinc/60/09/40/926600940.db2.gz VRVLLRVNVQKYTM-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001420545715 926600942 /nfs/dbraw/zinc/60/09/42/926600942.db2.gz VRVLLRVNVQKYTM-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420553383 926601222 /nfs/dbraw/zinc/60/12/22/926601222.db2.gz UYUZZARGYQXMKP-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001420572647 926601758 /nfs/dbraw/zinc/60/17/58/926601758.db2.gz FFBWFDFOHONIPX-UWVGGRQHSA-N 1 1 314.390 -1.495 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420585739 926603653 /nfs/dbraw/zinc/60/36/53/926603653.db2.gz ZDMOXSNDLTZSOZ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NCC ZINC001420611645 926604366 /nfs/dbraw/zinc/60/43/66/926604366.db2.gz LFGJPCWFZQHJAG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NCC ZINC001420611645 926604369 /nfs/dbraw/zinc/60/43/69/926604369.db2.gz LFGJPCWFZQHJAG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)CCn1cncn1 ZINC001420616286 926604585 /nfs/dbraw/zinc/60/45/85/926604585.db2.gz XYMWYYDXZDRTAM-UHFFFAOYSA-N 1 1 307.362 -1.056 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)c1nnn(C)n1 ZINC001420618908 926604739 /nfs/dbraw/zinc/60/47/39/926604739.db2.gz FPCPFIHJRWLHMW-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420590251 926604760 /nfs/dbraw/zinc/60/47/60/926604760.db2.gz OEDCAVFIIWXNEP-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420590251 926604766 /nfs/dbraw/zinc/60/47/66/926604766.db2.gz OEDCAVFIIWXNEP-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001420590023 926604800 /nfs/dbraw/zinc/60/48/00/926604800.db2.gz NGDHRLASUAVWAS-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001420645392 926605944 /nfs/dbraw/zinc/60/59/44/926605944.db2.gz VPQROCMWLOQRQU-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001420645392 926605948 /nfs/dbraw/zinc/60/59/48/926605948.db2.gz VPQROCMWLOQRQU-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628301 926606152 /nfs/dbraw/zinc/60/61/52/926606152.db2.gz UEDHHKMKINWURU-RKDXNWHRSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628301 926606157 /nfs/dbraw/zinc/60/61/57/926606157.db2.gz UEDHHKMKINWURU-RKDXNWHRSA-N 1 1 309.374 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)CCn1cncn1)C1CC1 ZINC001420636206 926606438 /nfs/dbraw/zinc/60/64/38/926606438.db2.gz XGWLUEVMQHJEDV-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)CCn1cncn1)C1CC1 ZINC001420636206 926606444 /nfs/dbraw/zinc/60/64/44/926606444.db2.gz XGWLUEVMQHJEDV-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420633021 926606925 /nfs/dbraw/zinc/60/69/25/926606925.db2.gz ACUARKOXXMRQJG-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661404 926608944 /nfs/dbraw/zinc/60/89/44/926608944.db2.gz ONZPJZOUEDTQIZ-NWDGAFQWSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661404 926608951 /nfs/dbraw/zinc/60/89/51/926608951.db2.gz ONZPJZOUEDTQIZ-NWDGAFQWSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661406 926609049 /nfs/dbraw/zinc/60/90/49/926609049.db2.gz ONZPJZOUEDTQIZ-RYUDHWBXSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661406 926609056 /nfs/dbraw/zinc/60/90/56/926609056.db2.gz ONZPJZOUEDTQIZ-RYUDHWBXSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420660695 926609134 /nfs/dbraw/zinc/60/91/34/926609134.db2.gz YFNSXBWCKKBQEY-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420660695 926609136 /nfs/dbraw/zinc/60/91/36/926609136.db2.gz YFNSXBWCKKBQEY-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1ncccn1)C1CC1 ZINC001420691874 926610162 /nfs/dbraw/zinc/61/01/62/926610162.db2.gz ZCKHNIKCTCWQBX-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1ncccn1)C1CC1 ZINC001420691874 926610167 /nfs/dbraw/zinc/61/01/67/926610167.db2.gz ZCKHNIKCTCWQBX-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO CCn1nc(C(=O)NCC[N@H+](CC(N)=O)C2CC2)ccc1=O ZINC001420689208 926610459 /nfs/dbraw/zinc/61/04/59/926610459.db2.gz OUIRIEGNAVPIJF-UHFFFAOYSA-N 1 1 307.354 -1.057 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)ccc1=O ZINC001420689208 926610464 /nfs/dbraw/zinc/61/04/64/926610464.db2.gz OUIRIEGNAVPIJF-UHFFFAOYSA-N 1 1 307.354 -1.057 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CCCS(N)(=O)=O)CC1 ZINC001420707096 926610549 /nfs/dbraw/zinc/61/05/49/926610549.db2.gz RTTJSYBTDOAUOB-UHFFFAOYSA-N 1 1 306.388 -2.055 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)[nH]1 ZINC001420735082 926612234 /nfs/dbraw/zinc/61/22/34/926612234.db2.gz KBBCVQUDUQZHAC-SNVBAGLBSA-N 1 1 319.373 -1.136 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C[NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001420741567 926614400 /nfs/dbraw/zinc/61/44/00/926614400.db2.gz QPIXBMNTMLQWDY-PSASIEDQSA-N 1 1 324.389 -1.316 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001420761667 926614418 /nfs/dbraw/zinc/61/44/18/926614418.db2.gz DXMOBTWYZPATIM-VHSXEESVSA-N 1 1 322.373 -1.782 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C[NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001420741582 926615316 /nfs/dbraw/zinc/61/53/16/926615316.db2.gz QPIXBMNTMLQWDY-WPRPVWTQSA-N 1 1 324.389 -1.316 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)c2ccccc2)NC1=O ZINC001420772943 926617148 /nfs/dbraw/zinc/61/71/48/926617148.db2.gz HHBCSPULSMULRP-VXGBXAGGSA-N 1 1 319.365 -1.058 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420799424 926617198 /nfs/dbraw/zinc/61/71/98/926617198.db2.gz MDBCNZXZIZHPHZ-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420799431 926617814 /nfs/dbraw/zinc/61/78/14/926617814.db2.gz MDBCNZXZIZHPHZ-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420831216 926618948 /nfs/dbraw/zinc/61/89/48/926618948.db2.gz GUDKGIDRQIPGST-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420826087 926619884 /nfs/dbraw/zinc/61/98/84/926619884.db2.gz OCSUWBIQFPYGTE-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001420828023 926620091 /nfs/dbraw/zinc/62/00/91/926620091.db2.gz BOODLTPXWIGIKU-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420844023 926621096 /nfs/dbraw/zinc/62/10/96/926621096.db2.gz DBNAOIXHEVIKCA-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420844023 926621103 /nfs/dbraw/zinc/62/11/03/926621103.db2.gz DBNAOIXHEVIKCA-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420844012 926621451 /nfs/dbraw/zinc/62/14/51/926621451.db2.gz DBNAOIXHEVIKCA-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420844012 926621454 /nfs/dbraw/zinc/62/14/54/926621454.db2.gz DBNAOIXHEVIKCA-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CNC(=O)OC)C1 ZINC001420850186 926621655 /nfs/dbraw/zinc/62/16/55/926621655.db2.gz CSCUCUWKJMLCQC-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420846261 926621989 /nfs/dbraw/zinc/62/19/89/926621989.db2.gz FUTLRLZOKZURCF-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(CCn1cnnn1)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420880587 926622714 /nfs/dbraw/zinc/62/27/14/926622714.db2.gz YGUDOTIRMJEPJG-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001420878436 926622760 /nfs/dbraw/zinc/62/27/60/926622760.db2.gz WGYZUTYLUJDIHI-JTQLQIEISA-N 1 1 307.354 -1.042 20 0 DAADMO Cn1cnc(C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001420864016 926623195 /nfs/dbraw/zinc/62/31/95/926623195.db2.gz VZMVAHRDSVWOLZ-JTQLQIEISA-N 1 1 307.354 -1.293 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCCS(N)(=O)=O)C1 ZINC001420875805 926623589 /nfs/dbraw/zinc/62/35/89/926623589.db2.gz UGEGEOBYZJYHAK-SNVBAGLBSA-N 1 1 320.415 -1.631 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001420881916 926624039 /nfs/dbraw/zinc/62/40/39/926624039.db2.gz PGTNLMNAFQMHIR-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001420886637 926624654 /nfs/dbraw/zinc/62/46/54/926624654.db2.gz TZVXHPJHUHOPCI-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001420905574 926624994 /nfs/dbraw/zinc/62/49/94/926624994.db2.gz BKGLIEZBYAJPDJ-LLVKDONJSA-N 1 1 324.385 -1.475 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420892157 926625287 /nfs/dbraw/zinc/62/52/87/926625287.db2.gz SMWMFCOWMPESNW-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420930111 926627436 /nfs/dbraw/zinc/62/74/36/926627436.db2.gz CBTHQEPXYGGEAO-LLVKDONJSA-N 1 1 324.385 -1.460 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001420927077 926627802 /nfs/dbraw/zinc/62/78/02/926627802.db2.gz QVDMVZDZNLPGTL-NSHDSACASA-N 1 1 312.370 -1.889 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001420911966 926627853 /nfs/dbraw/zinc/62/78/53/926627853.db2.gz LKNQVBXHDARFHQ-QWRGUYRKSA-N 1 1 312.370 -1.465 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)C)C1 ZINC001420928160 926628328 /nfs/dbraw/zinc/62/83/28/926628328.db2.gz RJDRCRHLJMHIHC-QWRGUYRKSA-N 1 1 313.402 -1.088 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001420938870 926629814 /nfs/dbraw/zinc/62/98/14/926629814.db2.gz GXMBTIYIFFYTOY-UHFFFAOYSA-N 1 1 309.374 -1.411 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001420946630 926629874 /nfs/dbraw/zinc/62/98/74/926629874.db2.gz HIYWFKDNBMARRQ-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001420936647 926630195 /nfs/dbraw/zinc/63/01/95/926630195.db2.gz HXKIKMPOQAZAOF-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001420987983 926632098 /nfs/dbraw/zinc/63/20/98/926632098.db2.gz UBYGFFVRWAPURH-WDEREUQCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001420987983 926632105 /nfs/dbraw/zinc/63/21/05/926632105.db2.gz UBYGFFVRWAPURH-WDEREUQCSA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@@H]3CCC(=O)N3)CC2)nc1=O ZINC001420982085 926632495 /nfs/dbraw/zinc/63/24/95/926632495.db2.gz OPAKITYTKQWRFL-VIFPVBQESA-N 1 1 322.369 -1.485 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCO)C2)c1=O ZINC001421023226 926634159 /nfs/dbraw/zinc/63/41/59/926634159.db2.gz XGGPCJQYAZQHSE-LBPRGKRZSA-N 1 1 311.386 -1.256 20 0 DAADMO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001421015734 926634383 /nfs/dbraw/zinc/63/43/83/926634383.db2.gz VAZJQMVQBHCYGZ-NEPJUHHUSA-N 1 1 324.381 -1.782 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(N)=O ZINC001421013809 926634402 /nfs/dbraw/zinc/63/44/02/926634402.db2.gz AXYKSJKDYPROQU-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(N)=O ZINC001421013809 926634405 /nfs/dbraw/zinc/63/44/05/926634405.db2.gz AXYKSJKDYPROQU-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001421015742 926634989 /nfs/dbraw/zinc/63/49/89/926634989.db2.gz VAZJQMVQBHCYGZ-VXGBXAGGSA-N 1 1 324.381 -1.782 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001421043512 926637593 /nfs/dbraw/zinc/63/75/93/926637593.db2.gz HGOOHEIXMMTMJE-SMDDNHRTSA-N 1 1 324.385 -1.245 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001421058319 926639387 /nfs/dbraw/zinc/63/93/87/926639387.db2.gz IXNCYUGLFUCUEI-NSHDSACASA-N 1 1 311.386 -1.067 20 0 DAADMO CC(C)NC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001421059768 926639414 /nfs/dbraw/zinc/63/94/14/926639414.db2.gz TYGRANQLEAXEBN-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(C)NC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001421059768 926639422 /nfs/dbraw/zinc/63/94/22/926639422.db2.gz TYGRANQLEAXEBN-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001421055828 926640056 /nfs/dbraw/zinc/64/00/56/926640056.db2.gz YHQFJCSBBGUSML-GFCCVEGCSA-N 1 1 318.443 -1.180 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001421078566 926642759 /nfs/dbraw/zinc/64/27/59/926642759.db2.gz KMYCFBFBSXJPIZ-JTQLQIEISA-N 1 1 307.416 -1.209 20 0 DAADMO CN(CC[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1)S(C)(=O)=O ZINC001421118668 926646659 /nfs/dbraw/zinc/64/66/59/926646659.db2.gz VYWWRMCBYIIJKZ-GFCCVEGCSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001421123159 926646898 /nfs/dbraw/zinc/64/68/98/926646898.db2.gz AULRBRNFHCPJAJ-VIFPVBQESA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2nnnc2C(C)C)C1 ZINC001421161473 926649740 /nfs/dbraw/zinc/64/97/40/926649740.db2.gz XAVZQQMLFUWKPE-SNVBAGLBSA-N 1 1 323.401 -1.021 20 0 DAADMO CCCC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001421144195 926651092 /nfs/dbraw/zinc/65/10/92/926651092.db2.gz JRKZKMOFESANNX-JTQLQIEISA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192628 926652428 /nfs/dbraw/zinc/65/24/28/926652428.db2.gz NRELUMAIZXXALD-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192628 926652434 /nfs/dbraw/zinc/65/24/34/926652434.db2.gz NRELUMAIZXXALD-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCn2cncn2)C1 ZINC001421202579 926653850 /nfs/dbraw/zinc/65/38/50/926653850.db2.gz GOWWNVPGVORMKN-ZDUSSCGKSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001421195595 926654194 /nfs/dbraw/zinc/65/41/94/926654194.db2.gz WKPSYTKFIOBCQX-SNVBAGLBSA-N 1 1 308.386 -1.070 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001421209252 926654341 /nfs/dbraw/zinc/65/43/41/926654341.db2.gz UVVGBWVHAGKKQC-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001421209252 926654346 /nfs/dbraw/zinc/65/43/46/926654346.db2.gz UVVGBWVHAGKKQC-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211823 926655030 /nfs/dbraw/zinc/65/50/30/926655030.db2.gz UMVGEWJJLIVVBH-CABZTGNLSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211823 926655034 /nfs/dbraw/zinc/65/50/34/926655034.db2.gz UMVGEWJJLIVVBH-CABZTGNLSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001421195441 926655541 /nfs/dbraw/zinc/65/55/41/926655541.db2.gz OCVMWFINHZUGOA-CYBMUJFWSA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001421244159 926657419 /nfs/dbraw/zinc/65/74/19/926657419.db2.gz GMOCTNHIYJFZFH-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001421244159 926657424 /nfs/dbraw/zinc/65/74/24/926657424.db2.gz GMOCTNHIYJFZFH-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421244550 926657571 /nfs/dbraw/zinc/65/75/71/926657571.db2.gz OATCKKLQDFOALE-RYUDHWBXSA-N 1 1 319.365 -1.288 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421244550 926657581 /nfs/dbraw/zinc/65/75/81/926657581.db2.gz OATCKKLQDFOALE-RYUDHWBXSA-N 1 1 319.365 -1.288 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001421212228 926657747 /nfs/dbraw/zinc/65/77/47/926657747.db2.gz COCULGUWFXMFLB-ONGXEEELSA-N 1 1 308.404 -1.998 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001421229697 926658189 /nfs/dbraw/zinc/65/81/89/926658189.db2.gz ZTKIQVVBFTYWHU-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001421229697 926658196 /nfs/dbraw/zinc/65/81/96/926658196.db2.gz ZTKIQVVBFTYWHU-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001421216256 926658296 /nfs/dbraw/zinc/65/82/96/926658296.db2.gz MGRJOUWZQHVISP-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001421299440 926659031 /nfs/dbraw/zinc/65/90/31/926659031.db2.gz CJDQJENYUUQQBT-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001421299440 926659043 /nfs/dbraw/zinc/65/90/43/926659043.db2.gz CJDQJENYUUQQBT-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001421252949 926660488 /nfs/dbraw/zinc/66/04/88/926660488.db2.gz IKNVHEGFULXAGB-ISTVAULSSA-N 1 1 321.385 -1.340 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001421299898 926660562 /nfs/dbraw/zinc/66/05/62/926660562.db2.gz IWBQYUFZQHBWGQ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324274 926662243 /nfs/dbraw/zinc/66/22/43/926662243.db2.gz LTZFCILVNRJQHU-KRTXAFLBSA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324274 926662247 /nfs/dbraw/zinc/66/22/47/926662247.db2.gz LTZFCILVNRJQHU-KRTXAFLBSA-N 1 1 322.312 -1.222 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001421318654 926662367 /nfs/dbraw/zinc/66/23/67/926662367.db2.gz XCIFICUYGBRSDD-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001421311261 926662717 /nfs/dbraw/zinc/66/27/17/926662717.db2.gz HSFXDAPMZYUGGT-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001421301540 926662822 /nfs/dbraw/zinc/66/28/22/926662822.db2.gz KZRSUIRZAHFZOB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001421318148 926662871 /nfs/dbraw/zinc/66/28/71/926662871.db2.gz IYJSFLFNGFPIAE-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001421318148 926662879 /nfs/dbraw/zinc/66/28/79/926662879.db2.gz IYJSFLFNGFPIAE-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310609 926663441 /nfs/dbraw/zinc/66/34/41/926663441.db2.gz FUCOCRKJIZASJE-MNOVXSKESA-N 1 1 324.385 -1.262 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310609 926663449 /nfs/dbraw/zinc/66/34/49/926663449.db2.gz FUCOCRKJIZASJE-MNOVXSKESA-N 1 1 324.385 -1.262 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001421301538 926663770 /nfs/dbraw/zinc/66/37/70/926663770.db2.gz KZRSUIRZAHFZOB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421335480 926664558 /nfs/dbraw/zinc/66/45/58/926664558.db2.gz CSUGUJWWXKKGHK-RNCFNFMXSA-N 1 1 316.358 -1.983 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421335480 926664567 /nfs/dbraw/zinc/66/45/67/926664567.db2.gz CSUGUJWWXKKGHK-RNCFNFMXSA-N 1 1 316.358 -1.983 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329359 926664593 /nfs/dbraw/zinc/66/45/93/926664593.db2.gz MCBNMHRZMYDRME-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329359 926664602 /nfs/dbraw/zinc/66/46/02/926664602.db2.gz MCBNMHRZMYDRME-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO COC[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421335485 926665014 /nfs/dbraw/zinc/66/50/14/926665014.db2.gz CSUGUJWWXKKGHK-TVQRCGJNSA-N 1 1 316.358 -1.983 20 0 DAADMO COC[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421335485 926665023 /nfs/dbraw/zinc/66/50/23/926665023.db2.gz CSUGUJWWXKKGHK-TVQRCGJNSA-N 1 1 316.358 -1.983 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001421337800 926665082 /nfs/dbraw/zinc/66/50/82/926665082.db2.gz KJTCIBKKIYNUJR-JQWIXIFHSA-N 1 1 324.399 -2.409 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001421337800 926665089 /nfs/dbraw/zinc/66/50/89/926665089.db2.gz KJTCIBKKIYNUJR-JQWIXIFHSA-N 1 1 324.399 -2.409 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421331404 926665142 /nfs/dbraw/zinc/66/51/42/926665142.db2.gz OCGYCZKICJYIQU-BXUZGUMPSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421331404 926665151 /nfs/dbraw/zinc/66/51/51/926665151.db2.gz OCGYCZKICJYIQU-BXUZGUMPSA-N 1 1 307.354 -1.675 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001421329849 926665295 /nfs/dbraw/zinc/66/52/95/926665295.db2.gz YFOGIPGMWFRYGJ-JVXZTZIISA-N 1 1 322.312 -1.351 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001421329849 926665310 /nfs/dbraw/zinc/66/53/10/926665310.db2.gz YFOGIPGMWFRYGJ-JVXZTZIISA-N 1 1 322.312 -1.351 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421326760 926665469 /nfs/dbraw/zinc/66/54/69/926665469.db2.gz GILKLEILLYPYEG-UFBFGSQYSA-N 1 1 313.383 -1.113 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421326760 926665482 /nfs/dbraw/zinc/66/54/82/926665482.db2.gz GILKLEILLYPYEG-UFBFGSQYSA-N 1 1 313.383 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001421334508 926665596 /nfs/dbraw/zinc/66/55/96/926665596.db2.gz BQYHVDVOSYVNOH-RNCFNFMXSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001421338788 926665896 /nfs/dbraw/zinc/66/58/96/926665896.db2.gz NMQXMRUFMXKAIT-FZMZJTMJSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001421338788 926665905 /nfs/dbraw/zinc/66/59/05/926665905.db2.gz NMQXMRUFMXKAIT-FZMZJTMJSA-N 1 1 309.370 -1.095 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001421338424 926665929 /nfs/dbraw/zinc/66/59/29/926665929.db2.gz IZZROJJMIDLRHT-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001421338424 926665938 /nfs/dbraw/zinc/66/59/38/926665938.db2.gz IZZROJJMIDLRHT-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001421329847 926667011 /nfs/dbraw/zinc/66/70/11/926667011.db2.gz YFOGIPGMWFRYGJ-JMCQJSRRSA-N 1 1 322.312 -1.351 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001421329847 926667017 /nfs/dbraw/zinc/66/70/17/926667017.db2.gz YFOGIPGMWFRYGJ-JMCQJSRRSA-N 1 1 322.312 -1.351 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421343553 926667663 /nfs/dbraw/zinc/66/76/63/926667663.db2.gz UHCBBRXWQIJWBW-NOZJJQNGSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421343553 926667677 /nfs/dbraw/zinc/66/76/77/926667677.db2.gz UHCBBRXWQIJWBW-NOZJJQNGSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001421348101 926667857 /nfs/dbraw/zinc/66/78/57/926667857.db2.gz KFAGDOLVLBSNMH-CYBMUJFWSA-N 1 1 312.374 -1.349 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342456 926668456 /nfs/dbraw/zinc/66/84/56/926668456.db2.gz UNXFGGXIQJVVQC-DZGCQCFKSA-N 1 1 322.413 -1.075 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342456 926668463 /nfs/dbraw/zinc/66/84/63/926668463.db2.gz UNXFGGXIQJVVQC-DZGCQCFKSA-N 1 1 322.413 -1.075 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421340484 926668482 /nfs/dbraw/zinc/66/84/82/926668482.db2.gz OULAZCDNBUTLMH-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421340484 926668488 /nfs/dbraw/zinc/66/84/88/926668488.db2.gz OULAZCDNBUTLMH-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421343565 926668814 /nfs/dbraw/zinc/66/88/14/926668814.db2.gz UHCBBRXWQIJWBW-ZANVPECISA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421343565 926668821 /nfs/dbraw/zinc/66/88/21/926668821.db2.gz UHCBBRXWQIJWBW-ZANVPECISA-N 1 1 300.359 -1.221 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421344377 926668999 /nfs/dbraw/zinc/66/89/99/926668999.db2.gz FBNCUXIDXFRSLA-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421344377 926669003 /nfs/dbraw/zinc/66/90/03/926669003.db2.gz FBNCUXIDXFRSLA-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342461 926669059 /nfs/dbraw/zinc/66/90/59/926669059.db2.gz UNXFGGXIQJVVQC-ZFWWWQNUSA-N 1 1 322.413 -1.075 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342461 926669062 /nfs/dbraw/zinc/66/90/62/926669062.db2.gz UNXFGGXIQJVVQC-ZFWWWQNUSA-N 1 1 322.413 -1.075 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001421341798 926669207 /nfs/dbraw/zinc/66/92/07/926669207.db2.gz SDEKSIRJSFXAGH-IINYFYTJSA-N 1 1 309.370 -1.149 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421342916 926669288 /nfs/dbraw/zinc/66/92/88/926669288.db2.gz VNWSOJYGKIOHRL-SWLSCSKDSA-N 1 1 323.397 -1.221 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421343557 926669666 /nfs/dbraw/zinc/66/96/66/926669666.db2.gz UHCBBRXWQIJWBW-RNCFNFMXSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001421343557 926669679 /nfs/dbraw/zinc/66/96/79/926669679.db2.gz UHCBBRXWQIJWBW-RNCFNFMXSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421346627 926670023 /nfs/dbraw/zinc/67/00/23/926670023.db2.gz LIOLGHYKKQJAED-OAHLLOKOSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421346627 926670029 /nfs/dbraw/zinc/67/00/29/926670029.db2.gz LIOLGHYKKQJAED-OAHLLOKOSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421346622 926670478 /nfs/dbraw/zinc/67/04/78/926670478.db2.gz LIOLGHYKKQJAED-HNNXBMFYSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421346622 926670483 /nfs/dbraw/zinc/67/04/83/926670483.db2.gz LIOLGHYKKQJAED-HNNXBMFYSA-N 1 1 313.398 -1.021 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001421350325 926672411 /nfs/dbraw/zinc/67/24/11/926672411.db2.gz JEKFWIBJVAZEGM-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001421353622 926672638 /nfs/dbraw/zinc/67/26/38/926672638.db2.gz JSQIFQLBGXUVET-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001421357641 926672714 /nfs/dbraw/zinc/67/27/14/926672714.db2.gz ORISGCWMBCXAEA-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421348954 926672998 /nfs/dbraw/zinc/67/29/98/926672998.db2.gz NEXYUDJNPKPKNU-SMDDNHRTSA-N 1 1 317.386 -1.975 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001421351847 926673033 /nfs/dbraw/zinc/67/30/33/926673033.db2.gz DBAKOTQKIVVFHF-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001421351847 926673039 /nfs/dbraw/zinc/67/30/39/926673039.db2.gz DBAKOTQKIVVFHF-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358925 926673061 /nfs/dbraw/zinc/67/30/61/926673061.db2.gz QWHZZVHXAWFHBS-YMTOWFKASA-N 1 1 312.370 -1.220 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358925 926673062 /nfs/dbraw/zinc/67/30/62/926673062.db2.gz QWHZZVHXAWFHBS-YMTOWFKASA-N 1 1 312.370 -1.220 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001421350316 926673953 /nfs/dbraw/zinc/67/39/53/926673953.db2.gz JEKFWIBJVAZEGM-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421349882 926674063 /nfs/dbraw/zinc/67/40/63/926674063.db2.gz RMTPVIFLEIJDNG-IAQYHMDHSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421349882 926674076 /nfs/dbraw/zinc/67/40/76/926674076.db2.gz RMTPVIFLEIJDNG-IAQYHMDHSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354977 926674097 /nfs/dbraw/zinc/67/40/97/926674097.db2.gz YZQCTKKBSGLQBS-NHYWBVRUSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354977 926674104 /nfs/dbraw/zinc/67/41/04/926674104.db2.gz YZQCTKKBSGLQBS-NHYWBVRUSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358905 926674294 /nfs/dbraw/zinc/67/42/94/926674294.db2.gz QWHZZVHXAWFHBS-OTYXRUKQSA-N 1 1 312.370 -1.220 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358905 926674300 /nfs/dbraw/zinc/67/43/00/926674300.db2.gz QWHZZVHXAWFHBS-OTYXRUKQSA-N 1 1 312.370 -1.220 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001421368348 926675230 /nfs/dbraw/zinc/67/52/30/926675230.db2.gz HGOBSEYVIUTGBP-CQSZACIVSA-N 1 1 314.386 -2.646 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001421359535 926675380 /nfs/dbraw/zinc/67/53/80/926675380.db2.gz DNFJAIZCZNVWFN-RISCZKNCSA-N 1 1 315.370 -2.221 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2OCCC3)C1 ZINC001421360745 926675447 /nfs/dbraw/zinc/67/54/47/926675447.db2.gz KDAPFPXCJUNXOK-AWEZNQCLSA-N 1 1 323.353 -1.683 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2OCCC3)C1 ZINC001421360745 926675449 /nfs/dbraw/zinc/67/54/49/926675449.db2.gz KDAPFPXCJUNXOK-AWEZNQCLSA-N 1 1 323.353 -1.683 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001421360212 926676119 /nfs/dbraw/zinc/67/61/19/926676119.db2.gz MNHMRSKFKORILJ-BXUZGUMPSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001421360212 926676127 /nfs/dbraw/zinc/67/61/27/926676127.db2.gz MNHMRSKFKORILJ-BXUZGUMPSA-N 1 1 322.369 -1.788 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001421366222 926677120 /nfs/dbraw/zinc/67/71/20/926677120.db2.gz UKHHYHYFGJVJMA-QMTHXVAHSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001421366222 926677129 /nfs/dbraw/zinc/67/71/29/926677129.db2.gz UKHHYHYFGJVJMA-QMTHXVAHSA-N 1 1 322.369 -1.903 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001421372430 926678306 /nfs/dbraw/zinc/67/83/06/926678306.db2.gz ISNZSTRIAADBPF-BXUZGUMPSA-N 1 1 307.354 -1.093 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001421375216 926678429 /nfs/dbraw/zinc/67/84/29/926678429.db2.gz YKQZNCMXBCIFGB-CQSZACIVSA-N 1 1 322.369 -1.488 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001421375216 926678439 /nfs/dbraw/zinc/67/84/39/926678439.db2.gz YKQZNCMXBCIFGB-CQSZACIVSA-N 1 1 322.369 -1.488 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372276 926678655 /nfs/dbraw/zinc/67/86/55/926678655.db2.gz BBCDUPRTLQKOLW-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372276 926678663 /nfs/dbraw/zinc/67/86/63/926678663.db2.gz BBCDUPRTLQKOLW-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001421372436 926678696 /nfs/dbraw/zinc/67/86/96/926678696.db2.gz ISNZSTRIAADBPF-RISCZKNCSA-N 1 1 307.354 -1.093 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC001421381937 926678734 /nfs/dbraw/zinc/67/87/34/926678734.db2.gz OZCQOZWWPQWSFB-TWJWRFFLSA-N 1 1 323.393 -1.336 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC001421381937 926678746 /nfs/dbraw/zinc/67/87/46/926678746.db2.gz OZCQOZWWPQWSFB-TWJWRFFLSA-N 1 1 323.393 -1.336 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c(C)nn1C ZINC001421376596 926680102 /nfs/dbraw/zinc/68/01/02/926680102.db2.gz DAWSFDJOTPQMNK-AWEZNQCLSA-N 1 1 312.370 -1.104 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1C ZINC001421371022 926680151 /nfs/dbraw/zinc/68/01/51/926680151.db2.gz QBLQEJWJYYEFMR-AWEZNQCLSA-N 1 1 310.354 -1.042 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001421376335 926680527 /nfs/dbraw/zinc/68/05/27/926680527.db2.gz NSLGJVRCNPNHRB-ZLDLUXBVSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001421376335 926680535 /nfs/dbraw/zinc/68/05/35/926680535.db2.gz NSLGJVRCNPNHRB-ZLDLUXBVSA-N 1 1 311.382 -1.160 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372282 926680783 /nfs/dbraw/zinc/68/07/83/926680783.db2.gz BBCDUPRTLQKOLW-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001421372282 926680792 /nfs/dbraw/zinc/68/07/92/926680792.db2.gz BBCDUPRTLQKOLW-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnc2n1CCOC2 ZINC001421373024 926681052 /nfs/dbraw/zinc/68/10/52/926681052.db2.gz XDVKTLOCWYWHSR-AWEZNQCLSA-N 1 1 310.354 -1.428 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001421370683 926681224 /nfs/dbraw/zinc/68/12/24/926681224.db2.gz FMNCTRUCLBOXFJ-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001421370683 926681231 /nfs/dbraw/zinc/68/12/31/926681231.db2.gz FMNCTRUCLBOXFJ-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389827 926682465 /nfs/dbraw/zinc/68/24/65/926682465.db2.gz FNMAVJIEPXSCSL-QMTHXVAHSA-N 1 1 324.385 -1.542 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001421386250 926682988 /nfs/dbraw/zinc/68/29/88/926682988.db2.gz NSNFZXBLOSOOSC-XHDPSFHLSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421388493 926683260 /nfs/dbraw/zinc/68/32/60/926683260.db2.gz IDBGSVRWNBHITI-SMDDNHRTSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421388493 926683266 /nfs/dbraw/zinc/68/32/66/926683266.db2.gz IDBGSVRWNBHITI-SMDDNHRTSA-N 1 1 307.354 -1.675 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389052 926683779 /nfs/dbraw/zinc/68/37/79/926683779.db2.gz LWRNLKKPSQNUEX-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1ncc(CN2CC[C@@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421383672 926683894 /nfs/dbraw/zinc/68/38/94/926683894.db2.gz BYZVCQSTOONBBE-SWLSCSKDSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001421386236 926684384 /nfs/dbraw/zinc/68/43/84/926684384.db2.gz NSNFZXBLOSOOSC-NHYWBVRUSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001421392951 926684462 /nfs/dbraw/zinc/68/44/62/926684462.db2.gz PAHQVFDZWRHIQH-NHYWBVRUSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001421392951 926684472 /nfs/dbraw/zinc/68/44/72/926684472.db2.gz PAHQVFDZWRHIQH-NHYWBVRUSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391927 926684669 /nfs/dbraw/zinc/68/46/69/926684669.db2.gz NBFMEMZYNZSXOA-RNCFNFMXSA-N 1 1 311.342 -1.321 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391927 926684675 /nfs/dbraw/zinc/68/46/75/926684675.db2.gz NBFMEMZYNZSXOA-RNCFNFMXSA-N 1 1 311.342 -1.321 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001421393171 926685112 /nfs/dbraw/zinc/68/51/12/926685112.db2.gz MMQCNTXKSYXGQS-OAHLLOKOSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395187 926686894 /nfs/dbraw/zinc/68/68/94/926686894.db2.gz QESKVYHYRNBVAN-ABAIWWIYSA-N 1 1 322.365 -1.725 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001421395187 926686906 /nfs/dbraw/zinc/68/69/06/926686906.db2.gz QESKVYHYRNBVAN-ABAIWWIYSA-N 1 1 322.365 -1.725 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398150 926687000 /nfs/dbraw/zinc/68/70/00/926687000.db2.gz RJRGVFOKVRXCEY-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398150 926687009 /nfs/dbraw/zinc/68/70/09/926687009.db2.gz RJRGVFOKVRXCEY-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421403124 926687895 /nfs/dbraw/zinc/68/78/95/926687895.db2.gz CVNZAUBTZJMBLS-YGRLFVJLSA-N 1 1 316.402 -1.385 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001421403175 926688444 /nfs/dbraw/zinc/68/84/44/926688444.db2.gz CXMUUGIAGGGTEE-GJZGRUSLSA-N 1 1 313.398 -1.210 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421394084 926688489 /nfs/dbraw/zinc/68/84/89/926688489.db2.gz KWYZFVCKMAWZID-AWEZNQCLSA-N 1 1 301.387 -1.306 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1 ZINC001421400763 926688547 /nfs/dbraw/zinc/68/85/47/926688547.db2.gz WQDKLXFGQUAZBH-IINYFYTJSA-N 1 1 307.354 -1.093 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421396815 926688755 /nfs/dbraw/zinc/68/87/55/926688755.db2.gz OFRPOMPGUJKGSN-SMDDNHRTSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1nnc[nH]1 ZINC001421393398 926688821 /nfs/dbraw/zinc/68/88/21/926688821.db2.gz JLAPUXKGTCSXIF-CQSZACIVSA-N 1 1 322.369 -1.406 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCN2CCCC2=O)C1)c1ncn[nH]1 ZINC001421393398 926688826 /nfs/dbraw/zinc/68/88/26/926688826.db2.gz JLAPUXKGTCSXIF-CQSZACIVSA-N 1 1 322.369 -1.406 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1ncn[nH]1 ZINC001421393398 926688834 /nfs/dbraw/zinc/68/88/34/926688834.db2.gz JLAPUXKGTCSXIF-CQSZACIVSA-N 1 1 322.369 -1.406 20 0 DAADMO CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001421406122 926690286 /nfs/dbraw/zinc/69/02/86/926690286.db2.gz QTEYSWAYGBTFGJ-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405833 926690922 /nfs/dbraw/zinc/69/09/22/926690922.db2.gz HKXDQRHCPALQDG-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421405833 926690929 /nfs/dbraw/zinc/69/09/29/926690929.db2.gz HKXDQRHCPALQDG-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421414772 926692823 /nfs/dbraw/zinc/69/28/23/926692823.db2.gz APLGCPZHLYMHAA-NEPJUHHUSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nnc(C)[nH]1 ZINC001421416657 926693564 /nfs/dbraw/zinc/69/35/64/926693564.db2.gz HFBWMHFVQCVZNW-JTQLQIEISA-N 1 1 322.373 -1.307 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001421419754 926694572 /nfs/dbraw/zinc/69/45/72/926694572.db2.gz ZRGXXPBVXZBQDB-NOZJJQNGSA-N 1 1 310.358 -1.965 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001421428473 926697454 /nfs/dbraw/zinc/69/74/54/926697454.db2.gz UDJUISXRSUPMNB-MNOVXSKESA-N 1 1 314.386 -2.256 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001421428473 926697463 /nfs/dbraw/zinc/69/74/63/926697463.db2.gz UDJUISXRSUPMNB-MNOVXSKESA-N 1 1 314.386 -2.256 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001421427121 926698039 /nfs/dbraw/zinc/69/80/39/926698039.db2.gz PYKYATVFQKCVCO-CYBMUJFWSA-N 1 1 323.397 -1.623 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001421427121 926698049 /nfs/dbraw/zinc/69/80/49/926698049.db2.gz PYKYATVFQKCVCO-CYBMUJFWSA-N 1 1 323.397 -1.623 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(CC(=O)NC2CC2)C1)C1CCC1 ZINC001421441716 926702222 /nfs/dbraw/zinc/70/22/22/926702222.db2.gz NTOMKJCHDWZCEW-UHFFFAOYSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)cc1=O ZINC001421438595 926702372 /nfs/dbraw/zinc/70/23/72/926702372.db2.gz DAOZLOMPWSGTRH-LLVKDONJSA-N 1 1 322.365 -1.407 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001421439274 926702720 /nfs/dbraw/zinc/70/27/20/926702720.db2.gz QJYCPCUUAQEKET-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)CC1=O ZINC001421438336 926703299 /nfs/dbraw/zinc/70/32/99/926703299.db2.gz FCEHRUXNYBZZEP-NEPJUHHUSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@@H]3CCCCO3)C2)n1 ZINC001421462525 926708993 /nfs/dbraw/zinc/70/89/93/926708993.db2.gz APOAHZNSEWLDJH-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1cnn(CCC(=O)NCC2(O)C[NH+](CCC3CC3)C2)c1=O ZINC001421468588 926709100 /nfs/dbraw/zinc/70/91/00/926709100.db2.gz GSRSCJBXWBEGIQ-UHFFFAOYSA-N 1 1 323.397 -1.065 20 0 DAADMO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1ncnn1C ZINC001421469203 926712581 /nfs/dbraw/zinc/71/25/81/926712581.db2.gz OOQKHPJOCNGMBL-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001421469621 926713028 /nfs/dbraw/zinc/71/30/28/926713028.db2.gz HJOLOYNBNHRMLY-UHFFFAOYSA-N 1 1 311.386 -1.065 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001421486327 926715663 /nfs/dbraw/zinc/71/56/63/926715663.db2.gz YYABDCKUKDBONP-UHFFFAOYSA-N 1 1 310.354 -1.731 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001421492567 926717704 /nfs/dbraw/zinc/71/77/04/926717704.db2.gz ROCPULMQVCBMNH-NWDGAFQWSA-N 1 1 310.398 -1.620 20 0 DAADMO CC[C@@H](C[NH+]1CC(O)(CNC(=O)c2ccc(=O)n(C)n2)C1)OC ZINC001421499460 926718924 /nfs/dbraw/zinc/71/89/24/926718924.db2.gz AIKSXMDBQNADFA-NSHDSACASA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001421496782 926719482 /nfs/dbraw/zinc/71/94/82/926719482.db2.gz WBGJTANXHUNUPZ-HNNXBMFYSA-N 1 1 324.425 -1.277 20 0 DAADMO Cc1nn(CC(=O)NCC2(O)C[NH+](CC3CC3)C2)c(=O)n1C ZINC001421495946 926721064 /nfs/dbraw/zinc/72/10/64/926721064.db2.gz QDNHYEXLSMNAIJ-UHFFFAOYSA-N 1 1 309.370 -1.537 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001421512615 926722638 /nfs/dbraw/zinc/72/26/38/926722638.db2.gz JJUXPHSYUFBENP-DCAQKATOSA-N 1 1 322.406 -1.021 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001421558098 926725416 /nfs/dbraw/zinc/72/54/16/926725416.db2.gz AVJLRGAWHCCJHK-TXEJJXNPSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001421562512 926725578 /nfs/dbraw/zinc/72/55/78/926725578.db2.gz OWBOVFBLNZYFBM-UKKRHICBSA-N 1 1 309.370 -1.678 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1 ZINC001421564176 926727601 /nfs/dbraw/zinc/72/76/01/926727601.db2.gz SJMQVGGZNQPGRA-DTORHVGOSA-N 1 1 307.310 -1.127 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001421573971 926727728 /nfs/dbraw/zinc/72/77/28/926727728.db2.gz HHHMTZNLGXSQMS-HLTSFMKQSA-N 1 1 322.325 -1.343 20 0 DAADMO Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)n1 ZINC001421573090 926727794 /nfs/dbraw/zinc/72/77/94/926727794.db2.gz PNVMFGZJXRXOBH-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001421567561 926727971 /nfs/dbraw/zinc/72/79/71/926727971.db2.gz CZMCQXACMZFTQC-GRYCIOLGSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1 ZINC001421574130 926728169 /nfs/dbraw/zinc/72/81/69/926728169.db2.gz UAKDDCPRBSQMHC-SDDRHHMPSA-N 1 1 319.427 -1.174 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C1 ZINC001421577836 926728178 /nfs/dbraw/zinc/72/81/78/926728178.db2.gz NTZUCRLWGNYHHE-SDDRHHMPSA-N 1 1 319.427 -1.351 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001421605930 926730936 /nfs/dbraw/zinc/73/09/36/926730936.db2.gz AFPVZBNDBAKEET-AWEZNQCLSA-N 1 1 309.370 -1.380 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421599782 926731354 /nfs/dbraw/zinc/73/13/54/926731354.db2.gz BNFOAJWEJPKOLN-SWLSCSKDSA-N 1 1 312.414 -1.230 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001421616587 926733392 /nfs/dbraw/zinc/73/33/92/926733392.db2.gz TWGDFOCXXPUJNT-CQSZACIVSA-N 1 1 317.386 -1.926 20 0 DAADMO COc1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)nn1C ZINC001421615825 926734382 /nfs/dbraw/zinc/73/43/82/926734382.db2.gz XGSLDFXWGHSZDW-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001421618294 926734639 /nfs/dbraw/zinc/73/46/39/926734639.db2.gz NUXPSKKRLXZKFV-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001421618289 926734953 /nfs/dbraw/zinc/73/49/53/926734953.db2.gz NUXPSKKRLXZKFV-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001421636428 926735688 /nfs/dbraw/zinc/73/56/88/926735688.db2.gz OHRZYLWFIJKECX-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001421629115 926735740 /nfs/dbraw/zinc/73/57/40/926735740.db2.gz CVDUFIBYRCQFET-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627595 926737074 /nfs/dbraw/zinc/73/70/74/926737074.db2.gz WUKVORFOUTXOTO-FZMZJTMJSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627595 926737089 /nfs/dbraw/zinc/73/70/89/926737089.db2.gz WUKVORFOUTXOTO-FZMZJTMJSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O)c1nnnn1C ZINC001421644412 926739878 /nfs/dbraw/zinc/73/98/78/926739878.db2.gz MEXXEAYGRWWYAP-KXUCPTDWSA-N 1 1 324.389 -1.092 20 0 DAADMO Cc1nnc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CCC2)[nH]1 ZINC001421725131 926749413 /nfs/dbraw/zinc/74/94/13/926749413.db2.gz XGMSKVCAVZJHCM-UHFFFAOYSA-N 1 1 305.346 -1.072 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)n1 ZINC001421777997 926751909 /nfs/dbraw/zinc/75/19/09/926751909.db2.gz VAGHUKYFJMTCNN-JTQLQIEISA-N 1 1 307.358 -1.375 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)n1 ZINC001421777999 926752223 /nfs/dbraw/zinc/75/22/23/926752223.db2.gz VAGHUKYFJMTCNN-SNVBAGLBSA-N 1 1 307.358 -1.375 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809418 926760004 /nfs/dbraw/zinc/76/00/04/926760004.db2.gz QUKVHDNIHKKDRO-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809418 926760013 /nfs/dbraw/zinc/76/00/13/926760013.db2.gz QUKVHDNIHKKDRO-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001421803579 926760184 /nfs/dbraw/zinc/76/01/84/926760184.db2.gz GEHFYENXENPYHW-MNOVXSKESA-N 1 1 324.385 -1.356 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001421803577 926761766 /nfs/dbraw/zinc/76/17/66/926761766.db2.gz GEHFYENXENPYHW-GHMZBOCLSA-N 1 1 324.385 -1.356 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001421874023 926765855 /nfs/dbraw/zinc/76/58/55/926765855.db2.gz UCSPUPRYGJQVJF-NSHDSACASA-N 1 1 323.401 -1.109 20 0 DAADMO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)c1nnn(C)n1 ZINC001421872069 926766383 /nfs/dbraw/zinc/76/63/83/926766383.db2.gz SVQKGXLUZYGWPZ-UHFFFAOYSA-N 1 1 307.362 -1.104 20 0 DAADMO CN(CCC[N@H+](C)Cc1cnnn1C)C(=O)Cn1ncnn1 ZINC001421855757 926766475 /nfs/dbraw/zinc/76/64/75/926766475.db2.gz BGPDCXCCUKBFPB-UHFFFAOYSA-N 1 1 307.362 -1.218 20 0 DAADMO CN(CCC[N@@H+](C)Cc1cnnn1C)C(=O)Cn1ncnn1 ZINC001421855757 926766481 /nfs/dbraw/zinc/76/64/81/926766481.db2.gz BGPDCXCCUKBFPB-UHFFFAOYSA-N 1 1 307.362 -1.218 20 0 DAADMO CN(CCC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001421863831 926767121 /nfs/dbraw/zinc/76/71/21/926767121.db2.gz QXYAFFXOTUCPIO-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001421856841 926767549 /nfs/dbraw/zinc/76/75/49/926767549.db2.gz ALNCADDUUMZQQF-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CS(=O)(=O)NC ZINC001421899573 926769909 /nfs/dbraw/zinc/76/99/09/926769909.db2.gz DCWYSYBPSKIDRR-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1COC2(CN(CCO)C2)C1 ZINC001421930927 926771398 /nfs/dbraw/zinc/77/13/98/926771398.db2.gz NYDGPBIBKKSJLD-CYBMUJFWSA-N 1 1 313.398 -1.340 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001421950872 926774291 /nfs/dbraw/zinc/77/42/91/926774291.db2.gz WXXFMMMABPCMGO-SNVBAGLBSA-N 1 1 320.415 -1.592 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001421934626 926774985 /nfs/dbraw/zinc/77/49/85/926774985.db2.gz OBDIWYNXWKUMFI-IUCAKERBSA-N 1 1 310.362 -1.830 20 0 DAADMO NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001421970939 926777076 /nfs/dbraw/zinc/77/70/76/926777076.db2.gz GSJFSNGQPHYDLJ-HFAKWTLXSA-N 1 1 321.381 -1.058 20 0 DAADMO C[C@H]([NH2+]CC1(NC(=O)CCc2nc[nH]n2)CCOCC1)C(N)=O ZINC001421980630 926777361 /nfs/dbraw/zinc/77/73/61/926777361.db2.gz CFKUSVDWRGDEPP-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001421976909 926779194 /nfs/dbraw/zinc/77/91/94/926779194.db2.gz YNMIQEFLUJQMGB-ZDUSSCGKSA-N 1 1 310.358 -1.834 20 0 DAADMO CC[C@H]([NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1)C(N)=O ZINC001421998797 926780168 /nfs/dbraw/zinc/78/01/68/926780168.db2.gz CZQCKINFJYISGJ-VIFPVBQESA-N 1 1 310.358 -1.063 20 0 DAADMO CC(C)C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422014706 926780692 /nfs/dbraw/zinc/78/06/92/926780692.db2.gz LMGCWHSCKJSSFD-AXFHLTTASA-N 1 1 323.401 -1.048 20 0 DAADMO C[NH+]1CCC(NC(=O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001422048483 926784835 /nfs/dbraw/zinc/78/48/35/926784835.db2.gz LOHIIMGBYCCLNC-QWRGUYRKSA-N 1 1 311.386 -2.285 20 0 DAADMO C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001422034747 926785223 /nfs/dbraw/zinc/78/52/23/926785223.db2.gz SEQSXLPKSBAXFN-ONGXEEELSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001422082455 926787143 /nfs/dbraw/zinc/78/71/43/926787143.db2.gz CWSTVNAJMHGGCL-NSHDSACASA-N 1 1 311.390 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001422092546 926788451 /nfs/dbraw/zinc/78/84/51/926788451.db2.gz ISUVKQGEIJALHN-LLVKDONJSA-N 1 1 324.385 -1.168 20 0 DAADMO CC(C)[C@@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001422091903 926788507 /nfs/dbraw/zinc/78/85/07/926788507.db2.gz FNDMRXMIVZQSSS-GHMZBOCLSA-N 1 1 323.401 -1.033 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001422123900 926790819 /nfs/dbraw/zinc/79/08/19/926790819.db2.gz FCQALOHVPRTDKV-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422167042 926793987 /nfs/dbraw/zinc/79/39/87/926793987.db2.gz ILGWUEGMUSWHKL-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422167042 926793996 /nfs/dbraw/zinc/79/39/96/926793996.db2.gz ILGWUEGMUSWHKL-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001422180801 926796687 /nfs/dbraw/zinc/79/66/87/926796687.db2.gz AAXJWEYMBNJSOX-JTQLQIEISA-N 1 1 305.400 -1.300 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)Cn1cnnn1 ZINC001422193515 926796762 /nfs/dbraw/zinc/79/67/62/926796762.db2.gz XTQVIQASRRPPQD-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)Cn1cnnn1 ZINC001422193515 926796768 /nfs/dbraw/zinc/79/67/68/926796768.db2.gz XTQVIQASRRPPQD-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001422181321 926797416 /nfs/dbraw/zinc/79/74/16/926797416.db2.gz GTPHZSIJABJZLL-DTWKUNHWSA-N 1 1 315.374 -1.529 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001422181321 926797430 /nfs/dbraw/zinc/79/74/30/926797430.db2.gz GTPHZSIJABJZLL-DTWKUNHWSA-N 1 1 315.374 -1.529 20 0 DAADMO COCC(=O)NC1(CO)CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001422185609 926797842 /nfs/dbraw/zinc/79/78/42/926797842.db2.gz RNNJACKVYZKITK-UHFFFAOYSA-N 1 1 323.415 -1.875 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ncccn1 ZINC001422217590 926799019 /nfs/dbraw/zinc/79/90/19/926799019.db2.gz WPKKPSKQMIFYTC-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ncccn1 ZINC001422217590 926799026 /nfs/dbraw/zinc/79/90/26/926799026.db2.gz WPKKPSKQMIFYTC-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001422211306 926799107 /nfs/dbraw/zinc/79/91/07/926799107.db2.gz QOJMQWSLGZDHRL-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001422197716 926799509 /nfs/dbraw/zinc/79/95/09/926799509.db2.gz NWNHVFGJCDVAAR-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422204590 926799579 /nfs/dbraw/zinc/79/95/79/926799579.db2.gz DUWRECBSGNDDDN-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(=O)n(C)c1=O ZINC001422212988 926799941 /nfs/dbraw/zinc/79/99/41/926799941.db2.gz HRMAJEDOWHEHGZ-VIFPVBQESA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](C(C)(C)O)C2)c(=O)n(C)c1=O ZINC001422212988 926799949 /nfs/dbraw/zinc/79/99/49/926799949.db2.gz HRMAJEDOWHEHGZ-VIFPVBQESA-N 1 1 324.381 -1.058 20 0 DAADMO O=C(Cn1ncnn1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422200651 926800374 /nfs/dbraw/zinc/80/03/74/926800374.db2.gz UMTJEMSESNVKIJ-JTQLQIEISA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1(CO)CC[NH+](CCF)CC1 ZINC001422205416 926800913 /nfs/dbraw/zinc/80/09/13/926800913.db2.gz NGSMGVBZMGLAQE-UHFFFAOYSA-N 1 1 316.377 -1.669 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001422199771 926800935 /nfs/dbraw/zinc/80/09/35/926800935.db2.gz YPBHYWCUWSQCGS-VIFPVBQESA-N 1 1 308.404 -1.681 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001422199771 926800947 /nfs/dbraw/zinc/80/09/47/926800947.db2.gz YPBHYWCUWSQCGS-VIFPVBQESA-N 1 1 308.404 -1.681 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001422257919 926803023 /nfs/dbraw/zinc/80/30/23/926803023.db2.gz ULJHYMXACXENJL-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001422257919 926803035 /nfs/dbraw/zinc/80/30/35/926803035.db2.gz ULJHYMXACXENJL-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CNC(=O)C1([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CCOCC1 ZINC001422264632 926805397 /nfs/dbraw/zinc/80/53/97/926805397.db2.gz DSDOKHHVCIDXFH-SNVBAGLBSA-N 1 1 314.386 -1.536 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CCNC(N)=O)C2)n1 ZINC001422274995 926809217 /nfs/dbraw/zinc/80/92/17/926809217.db2.gz KVHYAKVGFFCPLS-UHFFFAOYSA-N 1 1 310.362 -1.747 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001422273469 926809478 /nfs/dbraw/zinc/80/94/78/926809478.db2.gz GHGHUZBGAQILML-MWLCHTKSSA-N 1 1 322.373 -1.077 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001422273433 926810288 /nfs/dbraw/zinc/81/02/88/926810288.db2.gz GHGHUZBGAQILML-KOLCDFICSA-N 1 1 322.373 -1.077 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)c1nncn1C ZINC001422292193 926815243 /nfs/dbraw/zinc/81/52/43/926815243.db2.gz QXJRDWMPPBWZFC-IUCAKERBSA-N 1 1 319.387 -2.013 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001422287579 926815882 /nfs/dbraw/zinc/81/58/82/926815882.db2.gz VZGDDUIYFBVNTE-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1CCC(O)CC1 ZINC001422291500 926816638 /nfs/dbraw/zinc/81/66/38/926816638.db2.gz CUHAGBOLFAUCFM-HTAVTVPLSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001422289901 926816737 /nfs/dbraw/zinc/81/67/37/926816737.db2.gz ZSZOVQDXKAXSCJ-BDAKNGLRSA-N 1 1 300.319 -2.808 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001422288348 926817117 /nfs/dbraw/zinc/81/71/17/926817117.db2.gz PLOCJEKZOFOAOD-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422295287 926819464 /nfs/dbraw/zinc/81/94/64/926819464.db2.gz HQTPAXIWIMPHKZ-JGVFFNPUSA-N 1 1 304.376 -1.763 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001422299116 926819589 /nfs/dbraw/zinc/81/95/89/926819589.db2.gz AMFHLVJTAMYJQG-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001422295813 926819604 /nfs/dbraw/zinc/81/96/04/926819604.db2.gz YQWZQLBFODEIKH-NXEZZACHSA-N 1 1 300.363 -1.237 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2CN(C(C)=O)C2)nn1 ZINC001422300309 926820047 /nfs/dbraw/zinc/82/00/47/926820047.db2.gz RMGGXOMHHIJGSB-CYBMUJFWSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001422299114 926820331 /nfs/dbraw/zinc/82/03/31/926820331.db2.gz AMFHLVJTAMYJQG-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001422308477 926822727 /nfs/dbraw/zinc/82/27/27/926822727.db2.gz UEIMLTHNPOJLEQ-BDAKNGLRSA-N 1 1 309.374 -1.329 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001422302814 926823054 /nfs/dbraw/zinc/82/30/54/926823054.db2.gz UTYWYVOCCCAPLS-ZJUUUORDSA-N 1 1 312.330 -2.027 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnnn2C)CC[N@@H+]1C ZINC001422314514 926823892 /nfs/dbraw/zinc/82/38/92/926823892.db2.gz JUVXSPSKJAKFCR-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cnnn2C)CC[N@H+]1C ZINC001422314514 926823905 /nfs/dbraw/zinc/82/39/05/926823905.db2.gz JUVXSPSKJAKFCR-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422311228 926824339 /nfs/dbraw/zinc/82/43/39/926824339.db2.gz DDYXJQGBYZSAAU-DTWKUNHWSA-N 1 1 315.399 -1.158 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c(C)nn1 ZINC001422310328 926824822 /nfs/dbraw/zinc/82/48/22/926824822.db2.gz JOWCPMXXKMNHQY-SNVBAGLBSA-N 1 1 320.357 -1.503 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@H+]1C ZINC001422322503 926828186 /nfs/dbraw/zinc/82/81/86/926828186.db2.gz QZAUWKIIMLTSMA-KXUCPTDWSA-N 1 1 312.374 -1.583 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422328725 926830989 /nfs/dbraw/zinc/83/09/89/926830989.db2.gz MQTMOTDIKLFDIY-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CCn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001422329116 926831346 /nfs/dbraw/zinc/83/13/46/926831346.db2.gz XRHFVTSSEPFETJ-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cncn2C)n1 ZINC001422333882 926833904 /nfs/dbraw/zinc/83/39/04/926833904.db2.gz WARDTTIESVPHKR-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)o1 ZINC001422331263 926834094 /nfs/dbraw/zinc/83/40/94/926834094.db2.gz VNGIELSXCCOCDX-WPRPVWTQSA-N 1 1 323.357 -1.123 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)C2(O)CCOCC2)C[C@H]1CS(N)(=O)=O ZINC001422332408 926834486 /nfs/dbraw/zinc/83/44/86/926834486.db2.gz USSCVBYJRGODBL-WOPDTQHZSA-N 1 1 322.427 -1.255 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001422334092 926835404 /nfs/dbraw/zinc/83/54/04/926835404.db2.gz DXQSHRAVBUWSEZ-MWLCHTKSSA-N 1 1 311.342 -1.434 20 0 DAADMO COc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)co1 ZINC001422338533 926837732 /nfs/dbraw/zinc/83/77/32/926837732.db2.gz FOUDKEWIOUIGCQ-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncn(C)c2=O)co1 ZINC001422339418 926837818 /nfs/dbraw/zinc/83/78/18/926837818.db2.gz FHSQWUUBPOLKIP-NSHDSACASA-N 1 1 324.341 -1.855 20 0 DAADMO C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001422336123 926838141 /nfs/dbraw/zinc/83/81/41/926838141.db2.gz ANRPIJWXBGNSST-IUCAKERBSA-N 1 1 319.387 -1.008 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001422341664 926839021 /nfs/dbraw/zinc/83/90/21/926839021.db2.gz NQFGPNBYOMJVFZ-CABZTGNLSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001422341667 926839227 /nfs/dbraw/zinc/83/92/27/926839227.db2.gz NQFGPNBYOMJVFZ-JOYOIKCWSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001422341661 926839256 /nfs/dbraw/zinc/83/92/56/926839256.db2.gz NQFGPNBYOMJVFZ-BXKDBHETSA-N 1 1 301.322 -1.490 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001422345448 926840086 /nfs/dbraw/zinc/84/00/86/926840086.db2.gz KOAIOFKFBBJLJE-LBPRGKRZSA-N 1 1 321.385 -1.105 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001422352426 926845584 /nfs/dbraw/zinc/84/55/84/926845584.db2.gz TWJCSVNVEZKJRA-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C)S(C)(=O)=O ZINC001422358281 926847272 /nfs/dbraw/zinc/84/72/72/926847272.db2.gz YBQOVKDABFVVOP-VHSXEESVSA-N 1 1 318.399 -1.580 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C)S(C)(=O)=O ZINC001422358285 926847735 /nfs/dbraw/zinc/84/77/35/926847735.db2.gz YBQOVKDABFVVOP-ZJUUUORDSA-N 1 1 318.399 -1.580 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001422360884 926848555 /nfs/dbraw/zinc/84/85/55/926848555.db2.gz LHQFTXWUIVLRHK-VXGBXAGGSA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001422358248 926848672 /nfs/dbraw/zinc/84/86/72/926848672.db2.gz BLQQDJDKJUAPEB-QWRGUYRKSA-N 1 1 323.401 -1.770 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001422359748 926849913 /nfs/dbraw/zinc/84/99/13/926849913.db2.gz XWTLWFVDLXAJQU-SECBINFHSA-N 1 1 323.357 -1.382 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001422363479 926851927 /nfs/dbraw/zinc/85/19/27/926851927.db2.gz SRUYKMOJZGZXJA-GRYCIOLGSA-N 1 1 321.381 -1.055 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cccc(=O)n2C)[nH]1 ZINC001422364574 926853293 /nfs/dbraw/zinc/85/32/93/926853293.db2.gz KBZBEZKEPUFADQ-SNVBAGLBSA-N 1 1 320.353 -1.308 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nn1 ZINC001422368364 926853526 /nfs/dbraw/zinc/85/35/26/926853526.db2.gz HHYMXVXKCNMKQH-JQWIXIFHSA-N 1 1 324.385 -1.467 20 0 DAADMO CC1CCN(CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001422376547 926855687 /nfs/dbraw/zinc/85/56/87/926855687.db2.gz FSMVIFQSJMOACR-CYBMUJFWSA-N 1 1 314.430 -1.127 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001422380115 926856421 /nfs/dbraw/zinc/85/64/21/926856421.db2.gz YZPYSAQYWCIYKH-NSHDSACASA-N 1 1 309.370 -1.042 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001422387383 926858207 /nfs/dbraw/zinc/85/82/07/926858207.db2.gz UGCKQZHSZKWMKO-JTQLQIEISA-N 1 1 322.373 -1.614 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001422381020 926858384 /nfs/dbraw/zinc/85/83/84/926858384.db2.gz LXMCIDJHFIBBNF-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)CCn2cnnn2)nc1 ZINC001422381247 926858541 /nfs/dbraw/zinc/85/85/41/926858541.db2.gz MJZOGCFFIQSVPO-NSHDSACASA-N 1 1 320.357 -1.571 20 0 DAADMO C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422382466 926859441 /nfs/dbraw/zinc/85/94/41/926859441.db2.gz LLDQFYHZIUQDTL-VHSXEESVSA-N 1 1 321.389 -1.046 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)n1 ZINC001422386733 926859893 /nfs/dbraw/zinc/85/98/93/926859893.db2.gz QEYKHIUGDMKEJN-JTQLQIEISA-N 1 1 320.357 -1.080 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cncn1C)c1nncn1C ZINC001422397075 926862345 /nfs/dbraw/zinc/86/23/45/926862345.db2.gz KCBCXWYTKDDQQT-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001422402258 926863788 /nfs/dbraw/zinc/86/37/88/926863788.db2.gz DEFLTOWMDSPKIE-WPRPVWTQSA-N 1 1 320.357 -1.250 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422404989 926865985 /nfs/dbraw/zinc/86/59/85/926865985.db2.gz RUWDUVSFOFMWOE-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001422403281 926868179 /nfs/dbraw/zinc/86/81/79/926868179.db2.gz FWEHPPKVTGNDQC-SNVBAGLBSA-N 1 1 321.341 -2.211 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2ccon2)C1 ZINC001422419874 926870318 /nfs/dbraw/zinc/87/03/18/926870318.db2.gz ZGPKHLLQKHALDR-OLZOCXBDSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNCc2ccon2)C1 ZINC001422419874 926870335 /nfs/dbraw/zinc/87/03/35/926870335.db2.gz ZGPKHLLQKHALDR-OLZOCXBDSA-N 1 1 312.370 -1.038 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)no1 ZINC001422414348 926870883 /nfs/dbraw/zinc/87/08/83/926870883.db2.gz ZAQDTQFJASAPAN-ZCFIWIBFSA-N 1 1 315.721 -1.268 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001422487135 926875901 /nfs/dbraw/zinc/87/59/01/926875901.db2.gz NGKCNHDWYRQIOJ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422487135 926875917 /nfs/dbraw/zinc/87/59/17/926875917.db2.gz NGKCNHDWYRQIOJ-SECBINFHSA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N(C)CC1CC1 ZINC001422485136 926878297 /nfs/dbraw/zinc/87/82/97/926878297.db2.gz WDZVOIAJEOFOLL-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC001422485136 926878311 /nfs/dbraw/zinc/87/83/11/926878311.db2.gz WDZVOIAJEOFOLL-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520586 926879281 /nfs/dbraw/zinc/87/92/81/926879281.db2.gz OEDSDGANTAHSBL-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520586 926879298 /nfs/dbraw/zinc/87/92/98/926879298.db2.gz OEDSDGANTAHSBL-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001422491587 926879322 /nfs/dbraw/zinc/87/93/22/926879322.db2.gz SOBAYXDJSPGUAO-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422522573 926881352 /nfs/dbraw/zinc/88/13/52/926881352.db2.gz NOUMVTMAGVUMLP-SNVBAGLBSA-N 1 1 324.385 -1.254 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001422541705 926883132 /nfs/dbraw/zinc/88/31/32/926883132.db2.gz VWCLBUCOIQSIFZ-BDAKNGLRSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422541705 926883145 /nfs/dbraw/zinc/88/31/45/926883145.db2.gz VWCLBUCOIQSIFZ-BDAKNGLRSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001422525834 926883825 /nfs/dbraw/zinc/88/38/25/926883825.db2.gz TXYOWSOGEZIMQG-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001422525834 926883835 /nfs/dbraw/zinc/88/38/35/926883835.db2.gz TXYOWSOGEZIMQG-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[N@H+](C)CC(N)=O ZINC001422526752 926884091 /nfs/dbraw/zinc/88/40/91/926884091.db2.gz XMKCGECEPNUFRU-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[N@@H+](C)CC(N)=O ZINC001422526752 926884103 /nfs/dbraw/zinc/88/41/03/926884103.db2.gz XMKCGECEPNUFRU-ZJUUUORDSA-N 1 1 322.369 -1.316 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001422537071 926884830 /nfs/dbraw/zinc/88/48/30/926884830.db2.gz AKSNICPJXRXLNG-MRVPVSSYSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532351 926885594 /nfs/dbraw/zinc/88/55/94/926885594.db2.gz SKNOAAVRLNGNNV-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532351 926885605 /nfs/dbraw/zinc/88/56/05/926885605.db2.gz SKNOAAVRLNGNNV-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532351 926885610 /nfs/dbraw/zinc/88/56/10/926885610.db2.gz SKNOAAVRLNGNNV-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001422578387 926886216 /nfs/dbraw/zinc/88/62/16/926886216.db2.gz PEEUTVRCCRQRNQ-SNVBAGLBSA-N 1 1 312.370 -1.220 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001422556249 926886915 /nfs/dbraw/zinc/88/69/15/926886915.db2.gz XQQITCBXGQITDU-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001422556249 926886924 /nfs/dbraw/zinc/88/69/24/926886924.db2.gz XQQITCBXGQITDU-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1cnc[nH]1 ZINC001422565476 926887012 /nfs/dbraw/zinc/88/70/12/926887012.db2.gz LKBQJNVLCWPNGW-LLVKDONJSA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCCn1cncn1 ZINC001422592043 926887454 /nfs/dbraw/zinc/88/74/54/926887454.db2.gz XOPJNCNNJZDHIE-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CCn1cncn1 ZINC001422571952 926888698 /nfs/dbraw/zinc/88/86/98/926888698.db2.gz MPDRHWXSXOWEMO-LLVKDONJSA-N 1 1 307.362 -1.209 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001422559677 926889153 /nfs/dbraw/zinc/88/91/53/926889153.db2.gz NXIVJYKOELNPOQ-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001422559677 926889166 /nfs/dbraw/zinc/88/91/66/926889166.db2.gz NXIVJYKOELNPOQ-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001422601857 926889984 /nfs/dbraw/zinc/88/99/84/926889984.db2.gz HTYGSYPZEMEFSX-RKDXNWHRSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001422601857 926889995 /nfs/dbraw/zinc/88/99/95/926889995.db2.gz HTYGSYPZEMEFSX-RKDXNWHRSA-N 1 1 312.374 -1.799 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@H+](C)CCO ZINC001422605114 926891718 /nfs/dbraw/zinc/89/17/18/926891718.db2.gz RTHOSWLHVIHVNX-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@@H+](C)CCO ZINC001422605114 926891727 /nfs/dbraw/zinc/89/17/27/926891727.db2.gz RTHOSWLHVIHVNX-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CCn1cccn1 ZINC001422599480 926892401 /nfs/dbraw/zinc/89/24/01/926892401.db2.gz DNCGJHIDYCWGHU-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001422620953 926894559 /nfs/dbraw/zinc/89/45/59/926894559.db2.gz MHXMGGLAFPVGQM-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001422621974 926894741 /nfs/dbraw/zinc/89/47/41/926894741.db2.gz RSIAVSUQFLQFEX-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)n1 ZINC001422612897 926895171 /nfs/dbraw/zinc/89/51/71/926895171.db2.gz PQNHASHULHQYAO-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)n1 ZINC001422612897 926895179 /nfs/dbraw/zinc/89/51/79/926895179.db2.gz PQNHASHULHQYAO-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001422632368 926896485 /nfs/dbraw/zinc/89/64/85/926896485.db2.gz GTZLCLUNRFMRQT-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001422632358 926897178 /nfs/dbraw/zinc/89/71/78/926897178.db2.gz GTZLCLUNRFMRQT-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001422636384 926898028 /nfs/dbraw/zinc/89/80/28/926898028.db2.gz WEZOGJMGIBCUQV-UTUOFQBUSA-N 1 1 311.382 -1.303 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001422632492 926898352 /nfs/dbraw/zinc/89/83/52/926898352.db2.gz GPUKMJYFWKQRRA-LBPRGKRZSA-N 1 1 321.381 -1.367 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001422631249 926899157 /nfs/dbraw/zinc/89/91/57/926899157.db2.gz ANHOHYVZKRBPTA-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)CCn2cnnn2)C1 ZINC001422645852 926900297 /nfs/dbraw/zinc/90/02/97/926900297.db2.gz KXXBDSIZBLVPSQ-NSHDSACASA-N 1 1 312.374 -1.349 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)CNC(=O)NC ZINC001422652921 926902875 /nfs/dbraw/zinc/90/28/75/926902875.db2.gz ZZMSKOSULKBOKM-VIFPVBQESA-N 1 1 312.378 -1.394 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001422652019 926903831 /nfs/dbraw/zinc/90/38/31/926903831.db2.gz VXCVMSDGFSYOMD-QMMMGPOBSA-N 1 1 310.362 -1.469 20 0 DAADMO CCCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422694794 926905512 /nfs/dbraw/zinc/90/55/12/926905512.db2.gz CYJHZELHEDZGSQ-UWVGGRQHSA-N 1 1 324.389 -1.251 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN([C@H]3CCCNC3=O)C2)C1 ZINC001422656297 926905601 /nfs/dbraw/zinc/90/56/01/926905601.db2.gz MBUYEOFQZJDQIZ-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCS(C)(=O)=O ZINC001422671495 926906023 /nfs/dbraw/zinc/90/60/23/926906023.db2.gz DZBHEKHGBIEHRX-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO COC[C@@H](O)CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422660251 926906143 /nfs/dbraw/zinc/90/61/43/926906143.db2.gz WOVRVJIARDACJO-STQMWFEESA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1)NC(N)=O ZINC001422726009 926908540 /nfs/dbraw/zinc/90/85/40/926908540.db2.gz JCLLNZNIBNNOSZ-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001422702902 926909609 /nfs/dbraw/zinc/90/96/09/926909609.db2.gz HFMBXOVGSWQVAT-YUMQZZPRSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCC(=O)N1C ZINC001422734547 926912529 /nfs/dbraw/zinc/91/25/29/926912529.db2.gz DVWKUIZADJLPAK-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422761829 926913647 /nfs/dbraw/zinc/91/36/47/926913647.db2.gz OXZKVKWORDDHEB-PSASIEDQSA-N 1 1 318.399 -2.139 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001422750888 926913919 /nfs/dbraw/zinc/91/39/19/926913919.db2.gz ZNRXPQXBOAFMHV-JGVFFNPUSA-N 1 1 319.412 -1.176 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422761831 926914302 /nfs/dbraw/zinc/91/43/02/926914302.db2.gz OXZKVKWORDDHEB-WCBMZHEXSA-N 1 1 318.399 -2.139 20 0 DAADMO C[C@H](NC(=O)Cn1cncn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001422749679 926914323 /nfs/dbraw/zinc/91/43/23/926914323.db2.gz DMGYRLLYYVEQMA-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001422751354 926914586 /nfs/dbraw/zinc/91/45/86/926914586.db2.gz IMBHPSOZSACEGD-ZJUUUORDSA-N 1 1 311.386 -1.431 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001422793003 926917166 /nfs/dbraw/zinc/91/71/66/926917166.db2.gz SURNIXJRAUJINR-JTQLQIEISA-N 1 1 307.416 -1.303 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001422795974 926918080 /nfs/dbraw/zinc/91/80/80/926918080.db2.gz LDEFEKWODHKSNX-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001422795974 926918085 /nfs/dbraw/zinc/91/80/85/926918085.db2.gz LDEFEKWODHKSNX-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001422818875 926919051 /nfs/dbraw/zinc/91/90/51/926919051.db2.gz FZQSQUXASPTDSZ-RTCCRHLQSA-N 1 1 322.406 -1.354 20 0 DAADMO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001422819514 926919220 /nfs/dbraw/zinc/91/92/20/926919220.db2.gz ATJJJPFEEBTPRN-XYYAHUGASA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826118 926919249 /nfs/dbraw/zinc/91/92/49/926919249.db2.gz HXEQUKZZRCMHIV-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826118 926919259 /nfs/dbraw/zinc/91/92/59/926919259.db2.gz HXEQUKZZRCMHIV-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001422829606 926919515 /nfs/dbraw/zinc/91/95/15/926919515.db2.gz ZTDHEDYHOPNGTC-FVCCEPFGSA-N 1 1 308.382 -1.353 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001422821238 926920638 /nfs/dbraw/zinc/92/06/38/926920638.db2.gz BRYFSOMCWARNLA-LPWJVIDDSA-N 1 1 323.397 -1.089 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826124 926920823 /nfs/dbraw/zinc/92/08/23/926920823.db2.gz HXEQUKZZRCMHIV-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422826124 926920826 /nfs/dbraw/zinc/92/08/26/926920826.db2.gz HXEQUKZZRCMHIV-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847918 926922087 /nfs/dbraw/zinc/92/20/87/926922087.db2.gz NBOBWWMWKUXMBJ-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001422847918 926922098 /nfs/dbraw/zinc/92/20/98/926922098.db2.gz NBOBWWMWKUXMBJ-RKDXNWHRSA-N 1 1 308.404 -1.635 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCN1CCCC1=O ZINC001422834483 926922298 /nfs/dbraw/zinc/92/22/98/926922298.db2.gz OAJSCMVITUUKJS-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CCCF)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001422840995 926922392 /nfs/dbraw/zinc/92/23/92/926922392.db2.gz BCTHHIDBUSGMRR-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCF)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001422840995 926922398 /nfs/dbraw/zinc/92/23/98/926922398.db2.gz BCTHHIDBUSGMRR-UWVGGRQHSA-N 1 1 323.390 -1.304 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C(C)C ZINC001422837977 926922486 /nfs/dbraw/zinc/92/24/86/926922486.db2.gz IVOLOSFCHVFFPH-NRWUCQMLSA-N 1 1 310.398 -1.074 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422831281 926923049 /nfs/dbraw/zinc/92/30/49/926923049.db2.gz RCCHRQJKILROHO-RTCCRHLQSA-N 1 1 305.400 -1.659 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001422853436 926923129 /nfs/dbraw/zinc/92/31/29/926923129.db2.gz SREOOWGOWCVZMG-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001422853436 926923136 /nfs/dbraw/zinc/92/31/36/926923136.db2.gz SREOOWGOWCVZMG-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001422853436 926923144 /nfs/dbraw/zinc/92/31/44/926923144.db2.gz SREOOWGOWCVZMG-WISYIIOYSA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCNC(=O)C1 ZINC001422843539 926923198 /nfs/dbraw/zinc/92/31/98/926923198.db2.gz TWWKTVHNBRFKGB-ZVXAKGHKSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870197 926924465 /nfs/dbraw/zinc/92/44/65/926924465.db2.gz FFHPCJYRERBJOU-APLZJWDSSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870197 926924475 /nfs/dbraw/zinc/92/44/75/926924475.db2.gz FFHPCJYRERBJOU-APLZJWDSSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870200 926924711 /nfs/dbraw/zinc/92/47/11/926924711.db2.gz FFHPCJYRERBJOU-LADJIXMOSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870200 926924721 /nfs/dbraw/zinc/92/47/21/926924721.db2.gz FFHPCJYRERBJOU-LADJIXMOSA-N 1 1 312.370 -1.101 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876198 926927606 /nfs/dbraw/zinc/92/76/06/926927606.db2.gz JLVOIOLRIQGSTO-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876198 926927615 /nfs/dbraw/zinc/92/76/15/926927615.db2.gz JLVOIOLRIQGSTO-UWVGGRQHSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC001422919349 926928589 /nfs/dbraw/zinc/92/85/89/926928589.db2.gz PLNFDCZEHGZLBU-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC001422919349 926928604 /nfs/dbraw/zinc/92/86/04/926928604.db2.gz PLNFDCZEHGZLBU-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)cn1 ZINC001422923544 926930415 /nfs/dbraw/zinc/93/04/15/926930415.db2.gz LBMYAPGPYGEKMJ-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)cn1 ZINC001422923544 926930422 /nfs/dbraw/zinc/93/04/22/926930422.db2.gz LBMYAPGPYGEKMJ-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)cn1 ZINC001422923538 926931151 /nfs/dbraw/zinc/93/11/51/926931151.db2.gz LBMYAPGPYGEKMJ-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)cn1 ZINC001422923538 926931162 /nfs/dbraw/zinc/93/11/62/926931162.db2.gz LBMYAPGPYGEKMJ-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001422976443 926933584 /nfs/dbraw/zinc/93/35/84/926933584.db2.gz SKNXPSPWPSSVMK-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001422974980 926933749 /nfs/dbraw/zinc/93/37/49/926933749.db2.gz OHXOPJFKYNIADA-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001422977639 926934161 /nfs/dbraw/zinc/93/41/61/926934161.db2.gz NUDHSKNANKVHCI-GHMZBOCLSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001423018572 926937447 /nfs/dbraw/zinc/93/74/47/926937447.db2.gz CPUUAWCASKRNSP-MNOVXSKESA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001423025503 926941054 /nfs/dbraw/zinc/94/10/54/926941054.db2.gz MEDMNPGOJCEWER-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnon1 ZINC001423072888 926943272 /nfs/dbraw/zinc/94/32/72/926943272.db2.gz CJWPTJXUNOAMBP-LLVKDONJSA-N 1 1 324.385 -1.220 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089278 926945683 /nfs/dbraw/zinc/94/56/83/926945683.db2.gz ROEDZZKNIQPXIO-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089278 926945693 /nfs/dbraw/zinc/94/56/93/926945693.db2.gz ROEDZZKNIQPXIO-VHSXEESVSA-N 1 1 313.358 -2.298 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001423094386 926946256 /nfs/dbraw/zinc/94/62/56/926946256.db2.gz RABRJNOLPYTQGZ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001423140699 926951180 /nfs/dbraw/zinc/95/11/80/926951180.db2.gz SQUCIAMEIGTYPI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001423140703 926951213 /nfs/dbraw/zinc/95/12/13/926951213.db2.gz SQUCIAMEIGTYPI-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001423140700 926951699 /nfs/dbraw/zinc/95/16/99/926951699.db2.gz SQUCIAMEIGTYPI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001423129103 926953205 /nfs/dbraw/zinc/95/32/05/926953205.db2.gz VSTJFPSESDGWCH-NXEZZACHSA-N 1 1 309.374 -1.233 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001423164093 926954598 /nfs/dbraw/zinc/95/45/98/926954598.db2.gz KJXHJHIRDLQUNX-SNVBAGLBSA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cncn1)c1nnnn1C ZINC001423181448 926957892 /nfs/dbraw/zinc/95/78/92/926957892.db2.gz ZHKDSLKGICMDQA-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001423189029 926960001 /nfs/dbraw/zinc/96/00/01/926960001.db2.gz JJDQPSPFHLBMFN-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001423192171 926960320 /nfs/dbraw/zinc/96/03/20/926960320.db2.gz JPZVWSFCJVNJDP-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001423196677 926963327 /nfs/dbraw/zinc/96/33/27/926963327.db2.gz ZWRQWDRFMQVBKK-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423196188 926963624 /nfs/dbraw/zinc/96/36/24/926963624.db2.gz YQBOLGXEESRMOW-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001423200147 926964185 /nfs/dbraw/zinc/96/41/85/926964185.db2.gz NFGVHEOXINOSSO-DGCLKSJQSA-N 1 1 310.354 -1.233 20 0 DAADMO CC(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001423200938 926964450 /nfs/dbraw/zinc/96/44/50/926964450.db2.gz NYTMFJHRSZWTKJ-QWRGUYRKSA-N 1 1 316.402 -1.698 20 0 DAADMO Cn1ncc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)c1N ZINC001423205837 926967054 /nfs/dbraw/zinc/96/70/54/926967054.db2.gz TXIAEGFROWPRHS-UHFFFAOYSA-N 1 1 320.357 -1.524 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001423210219 926970838 /nfs/dbraw/zinc/97/08/38/926970838.db2.gz PMIKWRJYSGQJLA-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001423212039 926973511 /nfs/dbraw/zinc/97/35/11/926973511.db2.gz GLSIYXSGYFEBEF-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001423214568 926973659 /nfs/dbraw/zinc/97/36/59/926973659.db2.gz CVLJVMKIYUFPNZ-GMTAPVOTSA-N 1 1 309.370 -1.332 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001423213945 926973834 /nfs/dbraw/zinc/97/38/34/926973834.db2.gz IAZWIZQLYCXNQX-PWSUYJOCSA-N 1 1 310.354 -1.060 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)o1 ZINC001423214918 926973859 /nfs/dbraw/zinc/97/38/59/926973859.db2.gz GMVXANXLKGRHTK-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CO[C@@H]2CCOC2)n1 ZINC001423216215 926975518 /nfs/dbraw/zinc/97/55/18/926975518.db2.gz HNZYXDKJUWMRHJ-QWHCGFSZSA-N 1 1 312.370 -1.208 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)ncn1 ZINC001423220217 926979477 /nfs/dbraw/zinc/97/94/77/926979477.db2.gz PIXGXPDRRBLTNF-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001423223932 926979676 /nfs/dbraw/zinc/97/96/76/926979676.db2.gz XFDNXZKMSWKFGY-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001423221119 926980146 /nfs/dbraw/zinc/98/01/46/926980146.db2.gz QWHLKHYDYRGNIT-FRRDWIJNSA-N 1 1 314.430 -1.128 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423221119 926980154 /nfs/dbraw/zinc/98/01/54/926980154.db2.gz QWHLKHYDYRGNIT-FRRDWIJNSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)nn1C ZINC001423229155 926986868 /nfs/dbraw/zinc/98/68/68/926986868.db2.gz PCIYPROGPNKTJJ-CHWSQXEVSA-N 1 1 323.397 -1.036 20 0 DAADMO C[C@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CC1)S(C)(=O)=O ZINC001423229772 926987187 /nfs/dbraw/zinc/98/71/87/926987187.db2.gz WAABUAJTQJMABN-SECBINFHSA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001423229457 926987747 /nfs/dbraw/zinc/98/77/47/926987747.db2.gz HJICKBDHCCDEHA-GFCCVEGCSA-N 1 1 310.402 -1.134 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001423233138 926989670 /nfs/dbraw/zinc/98/96/70/926989670.db2.gz JQFONLNQZWPXOZ-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]nc2c1CCC2 ZINC001423232830 926990925 /nfs/dbraw/zinc/99/09/25/926990925.db2.gz UIOYLCRNHVRHIZ-ZJUUUORDSA-N 1 1 312.370 -1.414 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001423244833 926995762 /nfs/dbraw/zinc/99/57/62/926995762.db2.gz YLZFMVLQTMJTDL-JQWIXIFHSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)cn1)[C@H]1CNC(=O)N1 ZINC001423256198 926997964 /nfs/dbraw/zinc/99/79/64/926997964.db2.gz JIKOJYLJPDYXIP-GHMZBOCLSA-N 1 1 311.317 -1.531 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccc(F)cn1)[C@@H]1CNC(=O)N1 ZINC001423256202 926998979 /nfs/dbraw/zinc/99/89/79/926998979.db2.gz JIKOJYLJPDYXIP-MNOVXSKESA-N 1 1 311.317 -1.531 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423254590 926999230 /nfs/dbraw/zinc/99/92/30/926999230.db2.gz FBMLJPFZXSZQRI-ZJUUUORDSA-N 1 1 324.341 -2.267 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001423261272 927000958 /nfs/dbraw/zinc/00/09/58/927000958.db2.gz UXTWQLKTIZKARQ-SNVBAGLBSA-N 1 1 308.342 -1.260 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001423257691 927002017 /nfs/dbraw/zinc/00/20/17/927002017.db2.gz DEFIJRHZMFHTDH-TUAOUCFPSA-N 1 1 310.329 -1.091 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2ncnn2C)C1 ZINC001423259915 927002198 /nfs/dbraw/zinc/00/21/98/927002198.db2.gz HVELQMVXKLCEQW-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCc2ncnn2C)C1 ZINC001423259918 927003329 /nfs/dbraw/zinc/00/33/29/927003329.db2.gz HVELQMVXKLCEQW-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001423261266 927003686 /nfs/dbraw/zinc/00/36/86/927003686.db2.gz UXTWQLKTIZKARQ-JTQLQIEISA-N 1 1 308.342 -1.260 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001423264026 927006827 /nfs/dbraw/zinc/00/68/27/927006827.db2.gz OOHKRMGOQDCECE-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001423264401 927007241 /nfs/dbraw/zinc/00/72/41/927007241.db2.gz TZDDLFJMNFHNRP-PWSUYJOCSA-N 1 1 324.385 -1.515 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccns2)NC1=O ZINC001423269436 927008436 /nfs/dbraw/zinc/00/84/36/927008436.db2.gz VPEKONZMWAPYJM-SCZZXKLOSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273030 927009021 /nfs/dbraw/zinc/00/90/21/927009021.db2.gz YWDYFHZVDVAWRB-UWVGGRQHSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273030 927009036 /nfs/dbraw/zinc/00/90/36/927009036.db2.gz YWDYFHZVDVAWRB-UWVGGRQHSA-N 1 1 312.374 -1.581 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O ZINC001423269012 927009813 /nfs/dbraw/zinc/00/98/13/927009813.db2.gz UBMBYQDOUFIZDO-MWLCHTKSSA-N 1 1 309.370 -1.137 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001423277446 927011724 /nfs/dbraw/zinc/01/17/24/927011724.db2.gz PQXADNZZSXPAHT-DTWKUNHWSA-N 1 1 313.383 -1.227 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCCC1 ZINC001423280155 927013163 /nfs/dbraw/zinc/01/31/63/927013163.db2.gz VBWDWCGAQUQNDC-VIFPVBQESA-N 1 1 321.399 -2.104 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)[nH]c1 ZINC001423294015 927019498 /nfs/dbraw/zinc/01/94/98/927019498.db2.gz ZHXGSIWVCNQDPS-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301973 927021463 /nfs/dbraw/zinc/02/14/63/927021463.db2.gz UOKRHVVXEOWACS-YPMHNXCESA-N 1 1 312.414 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301973 927021478 /nfs/dbraw/zinc/02/14/78/927021478.db2.gz UOKRHVVXEOWACS-YPMHNXCESA-N 1 1 312.414 -1.327 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001423303992 927021897 /nfs/dbraw/zinc/02/18/97/927021897.db2.gz RSDMEMFWRNUWOZ-LLVKDONJSA-N 1 1 322.369 -1.662 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]nc2ccccc21 ZINC001423301346 927022665 /nfs/dbraw/zinc/02/26/65/927022665.db2.gz MGAHTLDFBZYKSP-SECBINFHSA-N 1 1 305.338 -1.343 20 0 DAADMO CCn1ncnc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423309025 927024613 /nfs/dbraw/zinc/02/46/13/927024613.db2.gz RRFVDWOJSVTGNH-NWDGAFQWSA-N 1 1 310.402 -1.184 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1cnn(C)n1 ZINC001423306011 927026542 /nfs/dbraw/zinc/02/65/42/927026542.db2.gz SKSAYTVUJVWYDM-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2[nH]nnc2C)C1 ZINC001423317841 927027605 /nfs/dbraw/zinc/02/76/05/927027605.db2.gz AMBBBJCJGIRTSH-IONNQARKSA-N 1 1 323.357 -1.239 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001423362626 927033791 /nfs/dbraw/zinc/03/37/91/927033791.db2.gz NMAQXDNTDLGWQL-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001423385222 927035827 /nfs/dbraw/zinc/03/58/27/927035827.db2.gz YICZCYHTTMIANP-GFCCVEGCSA-N 1 1 318.399 -2.055 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001423374018 927036193 /nfs/dbraw/zinc/03/61/93/927036193.db2.gz HLEWYKWISZBGFS-GFCCVEGCSA-N 1 1 305.400 -1.548 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnn(C)c1 ZINC001423412076 927039444 /nfs/dbraw/zinc/03/94/44/927039444.db2.gz FSLSZRSMERWLLL-GFCCVEGCSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CS(C)(=O)=O ZINC001423429742 927044902 /nfs/dbraw/zinc/04/49/02/927044902.db2.gz RETKREDZOADZMY-SNVBAGLBSA-N 1 1 319.387 -2.231 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)[nH]1 ZINC001423434194 927048601 /nfs/dbraw/zinc/04/86/01/927048601.db2.gz DNCOQIXANPHRSS-DTWKUNHWSA-N 1 1 312.330 -1.870 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCNC(=O)C1 ZINC001423432722 927048805 /nfs/dbraw/zinc/04/88/05/927048805.db2.gz SCULNAQNNVGRBW-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001423437357 927050978 /nfs/dbraw/zinc/05/09/78/927050978.db2.gz AAOFDSOOAKAXBF-WCBMZHEXSA-N 1 1 313.362 -2.219 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423444944 927055106 /nfs/dbraw/zinc/05/51/06/927055106.db2.gz KNORGBQRXGXRGX-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cnoc1 ZINC001423453106 927059506 /nfs/dbraw/zinc/05/95/06/927059506.db2.gz LFPWESUJRCKEDB-NSHDSACASA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cncnc1 ZINC001423452009 927060793 /nfs/dbraw/zinc/06/07/93/927060793.db2.gz XSWNTQYGVBIEDB-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CNC(=O)N1 ZINC001423458743 927061361 /nfs/dbraw/zinc/06/13/61/927061361.db2.gz ULNOURNOJGHCDH-SFYZADRCSA-N 1 1 314.371 -1.872 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423457653 927061940 /nfs/dbraw/zinc/06/19/40/927061940.db2.gz SGWCRWVHGRAMCF-JGVFFNPUSA-N 1 1 312.334 -3.200 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC(=O)NC1 ZINC001423462121 927062003 /nfs/dbraw/zinc/06/20/03/927062003.db2.gz KNAFLMOUCIJBOS-NWDGAFQWSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1csnn1 ZINC001423457571 927062696 /nfs/dbraw/zinc/06/26/96/927062696.db2.gz CYLORIDJJBEJBD-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1csnn1 ZINC001423457566 927062779 /nfs/dbraw/zinc/06/27/79/927062779.db2.gz CYLORIDJJBEJBD-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)C[C@@H]1CCNC1=O ZINC001423463128 927063284 /nfs/dbraw/zinc/06/32/84/927063284.db2.gz MKYIAYKTZWQRIJ-RYUDHWBXSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CNC(=O)N1 ZINC001423458715 927063893 /nfs/dbraw/zinc/06/38/93/927063893.db2.gz ULNOURNOJGHCDH-HTQZYQBOSA-N 1 1 314.371 -1.872 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)C[C@H]1CCNC1=O ZINC001423463115 927064244 /nfs/dbraw/zinc/06/42/44/927064244.db2.gz MKYIAYKTZWQRIJ-NEPJUHHUSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ncc[nH]1 ZINC001423472672 927067676 /nfs/dbraw/zinc/06/76/76/927067676.db2.gz AIINAYGWQQAYHF-SECBINFHSA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)c1nnn(C)n1 ZINC001423466390 927068315 /nfs/dbraw/zinc/06/83/15/927068315.db2.gz UIPWIXIZMBSVIG-SECBINFHSA-N 1 1 306.330 -1.777 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCNC(N)=O)n1 ZINC001423479830 927068951 /nfs/dbraw/zinc/06/89/51/927068951.db2.gz ADHZJCXEQXZYLT-NSHDSACASA-N 1 1 324.385 -1.248 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)Cc1nnc[nH]1 ZINC001423478147 927069817 /nfs/dbraw/zinc/06/98/17/927069817.db2.gz QBDRDAGFNGNVIW-JTQLQIEISA-N 1 1 305.342 -1.254 20 0 DAADMO Cc1conc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423475458 927070355 /nfs/dbraw/zinc/07/03/55/927070355.db2.gz KEAJAZCMGDIRSH-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccnn1)c1nnnn1C ZINC001423475565 927070574 /nfs/dbraw/zinc/07/05/74/927070574.db2.gz FYIKLIXLHLSKEV-UWVGGRQHSA-N 1 1 320.357 -1.216 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)nc1 ZINC001423485174 927073463 /nfs/dbraw/zinc/07/34/63/927073463.db2.gz NTEGPQUGLTZLOX-GFCCVEGCSA-N 1 1 319.369 -1.014 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)n1)c1nncn1C ZINC001423483932 927073788 /nfs/dbraw/zinc/07/37/88/927073788.db2.gz KKWKJWVZDVZTFP-VHSXEESVSA-N 1 1 322.373 -1.273 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC001423492858 927076269 /nfs/dbraw/zinc/07/62/69/927076269.db2.gz SMUVNDDIPISRRE-GFCCVEGCSA-N 1 1 307.416 -1.207 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC001423492858 927076283 /nfs/dbraw/zinc/07/62/83/927076283.db2.gz SMUVNDDIPISRRE-GFCCVEGCSA-N 1 1 307.416 -1.207 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001423495791 927077070 /nfs/dbraw/zinc/07/70/70/927077070.db2.gz LKCNFIJFJJADRG-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001423495791 927077087 /nfs/dbraw/zinc/07/70/87/927077087.db2.gz LKCNFIJFJJADRG-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001423497179 927077224 /nfs/dbraw/zinc/07/72/24/927077224.db2.gz SKDWXAGLCHKFMX-VHSXEESVSA-N 1 1 302.375 -1.023 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001423497277 927077538 /nfs/dbraw/zinc/07/75/38/927077538.db2.gz BMWPUINTNUCDOC-RYUDHWBXSA-N 1 1 313.398 -1.069 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001423499211 927078936 /nfs/dbraw/zinc/07/89/36/927078936.db2.gz BAUCPKAPQDQSCQ-LBPRGKRZSA-N 1 1 316.402 -1.648 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001423499211 927078946 /nfs/dbraw/zinc/07/89/46/927078946.db2.gz BAUCPKAPQDQSCQ-LBPRGKRZSA-N 1 1 316.402 -1.648 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496795 927079131 /nfs/dbraw/zinc/07/91/31/927079131.db2.gz QGQTYGMXTKGMED-GHMZBOCLSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001423496795 927079145 /nfs/dbraw/zinc/07/91/45/927079145.db2.gz QGQTYGMXTKGMED-GHMZBOCLSA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@@H](O)CNCc1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423489772 927080133 /nfs/dbraw/zinc/08/01/33/927080133.db2.gz YHTPJOSAVPQGAP-YPMHNXCESA-N 1 1 310.402 -1.324 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423512272 927080670 /nfs/dbraw/zinc/08/06/70/927080670.db2.gz JXUBVZCBTVVTRR-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423512272 927080682 /nfs/dbraw/zinc/08/06/82/927080682.db2.gz JXUBVZCBTVVTRR-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001423511534 927080897 /nfs/dbraw/zinc/08/08/97/927080897.db2.gz CQFVPQGIQBCPEI-RISCZKNCSA-N 1 1 301.387 -1.354 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001423510159 927081283 /nfs/dbraw/zinc/08/12/83/927081283.db2.gz DUSZEQSNAXMUTI-GHMZBOCLSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001423510159 927081288 /nfs/dbraw/zinc/08/12/88/927081288.db2.gz DUSZEQSNAXMUTI-GHMZBOCLSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)C1 ZINC001423501745 927081321 /nfs/dbraw/zinc/08/13/21/927081321.db2.gz DLVOAGCKLDABOA-LLVKDONJSA-N 1 1 300.359 -2.299 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)C1 ZINC001423501745 927081337 /nfs/dbraw/zinc/08/13/37/927081337.db2.gz DLVOAGCKLDABOA-LLVKDONJSA-N 1 1 300.359 -2.299 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423503227 927081453 /nfs/dbraw/zinc/08/14/53/927081453.db2.gz IERHFIHWGXZYCJ-IUCAKERBSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423503227 927081470 /nfs/dbraw/zinc/08/14/70/927081470.db2.gz IERHFIHWGXZYCJ-IUCAKERBSA-N 1 1 303.363 -2.460 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001423504337 927081677 /nfs/dbraw/zinc/08/16/77/927081677.db2.gz SFYCFHUXINKOPA-VHSXEESVSA-N 1 1 312.374 -1.556 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001423507874 927082170 /nfs/dbraw/zinc/08/21/70/927082170.db2.gz VHHHARVWWUJBLF-CYBMUJFWSA-N 1 1 301.387 -1.402 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001423507650 927082668 /nfs/dbraw/zinc/08/26/68/927082668.db2.gz HORAMFIAJIWFNC-NXEZZACHSA-N 1 1 316.358 -2.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001423508876 927082975 /nfs/dbraw/zinc/08/29/75/927082975.db2.gz XCPSHSRHKKRTBA-SECBINFHSA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001423508876 927082989 /nfs/dbraw/zinc/08/29/89/927082989.db2.gz XCPSHSRHKKRTBA-SECBINFHSA-N 1 1 311.342 -2.370 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCn1ccccc1=O ZINC001423504656 927083297 /nfs/dbraw/zinc/08/32/97/927083297.db2.gz MIJBEHATMVVRSM-GFCCVEGCSA-N 1 1 324.381 -1.525 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCn1ccccc1=O ZINC001423504656 927083315 /nfs/dbraw/zinc/08/33/15/927083315.db2.gz MIJBEHATMVVRSM-GFCCVEGCSA-N 1 1 324.381 -1.525 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423509151 927083722 /nfs/dbraw/zinc/08/37/22/927083722.db2.gz ZIVPGYIVWFFMTC-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001423509151 927083737 /nfs/dbraw/zinc/08/37/37/927083737.db2.gz ZIVPGYIVWFFMTC-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CO[C@H](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423506807 927083766 /nfs/dbraw/zinc/08/37/66/927083766.db2.gz VCCZYEHNHWURKZ-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CO[C@H](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423506807 927083779 /nfs/dbraw/zinc/08/37/79/927083779.db2.gz VCCZYEHNHWURKZ-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001423509113 927083871 /nfs/dbraw/zinc/08/38/71/927083871.db2.gz CFIFMEXJSCJMCF-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001423509113 927083885 /nfs/dbraw/zinc/08/38/85/927083885.db2.gz CFIFMEXJSCJMCF-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001423506809 927084346 /nfs/dbraw/zinc/08/43/46/927084346.db2.gz RAKLGOUJACMLAU-LBPRGKRZSA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001423506809 927084359 /nfs/dbraw/zinc/08/43/59/927084359.db2.gz RAKLGOUJACMLAU-LBPRGKRZSA-N 1 1 314.386 -2.038 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508587 927084393 /nfs/dbraw/zinc/08/43/93/927084393.db2.gz PXJSMNMVUQZGBE-RKDXNWHRSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508587 927084405 /nfs/dbraw/zinc/08/44/05/927084405.db2.gz PXJSMNMVUQZGBE-RKDXNWHRSA-N 1 1 311.342 -1.579 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)co1 ZINC001423518109 927085702 /nfs/dbraw/zinc/08/57/02/927085702.db2.gz QHKTXUWPZXVAQY-DTWKUNHWSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)co1 ZINC001423518109 927085718 /nfs/dbraw/zinc/08/57/18/927085718.db2.gz QHKTXUWPZXVAQY-DTWKUNHWSA-N 1 1 314.342 -1.078 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525929 927085909 /nfs/dbraw/zinc/08/59/09/927085909.db2.gz OJVNBGPPCZUGSI-BDAKNGLRSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525929 927085922 /nfs/dbraw/zinc/08/59/22/927085922.db2.gz OJVNBGPPCZUGSI-BDAKNGLRSA-N 1 1 313.358 -1.636 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423517544 927086057 /nfs/dbraw/zinc/08/60/57/927086057.db2.gz VJAFPIDKWOVFCC-QWRGUYRKSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001423517544 927086074 /nfs/dbraw/zinc/08/60/74/927086074.db2.gz VJAFPIDKWOVFCC-QWRGUYRKSA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001423517544 927086085 /nfs/dbraw/zinc/08/60/85/927086085.db2.gz VJAFPIDKWOVFCC-QWRGUYRKSA-N 1 1 300.359 -1.218 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516890 927087905 /nfs/dbraw/zinc/08/79/05/927087905.db2.gz USWNZWRXDPRQSA-NXEZZACHSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516890 927087919 /nfs/dbraw/zinc/08/79/19/927087919.db2.gz USWNZWRXDPRQSA-NXEZZACHSA-N 1 1 318.374 -1.772 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)C[C@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516213 927088309 /nfs/dbraw/zinc/08/83/09/927088309.db2.gz MLHRHDDRRUATOZ-CMPLNLGQSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516213 927088323 /nfs/dbraw/zinc/08/83/23/927088323.db2.gz MLHRHDDRRUATOZ-CMPLNLGQSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001423515806 927088469 /nfs/dbraw/zinc/08/84/69/927088469.db2.gz YSPUMFWUHFSIGX-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423518588 927088596 /nfs/dbraw/zinc/08/85/96/927088596.db2.gz QXTXLFWMZLMFGC-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423518588 927088611 /nfs/dbraw/zinc/08/86/11/927088611.db2.gz QXTXLFWMZLMFGC-GHMZBOCLSA-N 1 1 314.386 -1.990 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1cccn1 ZINC001423513300 927089607 /nfs/dbraw/zinc/08/96/07/927089607.db2.gz PUAQJMKPZVIUAO-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cncnc1 ZINC001423522397 927089803 /nfs/dbraw/zinc/08/98/03/927089803.db2.gz FJFXCKPTEYJWBZ-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cncnc1 ZINC001423522397 927089819 /nfs/dbraw/zinc/08/98/19/927089819.db2.gz FJFXCKPTEYJWBZ-GFCCVEGCSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)CCF ZINC001423533861 927091865 /nfs/dbraw/zinc/09/18/65/927091865.db2.gz FPSJILUDAIMKHC-SNVBAGLBSA-N 1 1 313.395 -1.402 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCF ZINC001423533861 927091883 /nfs/dbraw/zinc/09/18/83/927091883.db2.gz FPSJILUDAIMKHC-SNVBAGLBSA-N 1 1 313.395 -1.402 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001423531234 927092183 /nfs/dbraw/zinc/09/21/83/927092183.db2.gz BVZLDABIOPVEJL-JTQLQIEISA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001423531234 927092201 /nfs/dbraw/zinc/09/22/01/927092201.db2.gz BVZLDABIOPVEJL-JTQLQIEISA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423535753 927092760 /nfs/dbraw/zinc/09/27/60/927092760.db2.gz BVDSKUNJQGSZBV-VXGBXAGGSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423535753 927092776 /nfs/dbraw/zinc/09/27/76/927092776.db2.gz BVDSKUNJQGSZBV-VXGBXAGGSA-N 1 1 324.385 -1.647 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001423534922 927093297 /nfs/dbraw/zinc/09/32/97/927093297.db2.gz RUGFDKXFKHGYDY-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001423534922 927093310 /nfs/dbraw/zinc/09/33/10/927093310.db2.gz RUGFDKXFKHGYDY-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545792 927093473 /nfs/dbraw/zinc/09/34/73/927093473.db2.gz IYAKEGUHAOCXIA-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545792 927093487 /nfs/dbraw/zinc/09/34/87/927093487.db2.gz IYAKEGUHAOCXIA-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001423534898 927094169 /nfs/dbraw/zinc/09/41/69/927094169.db2.gz RUGFDKXFKHGYDY-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001423534898 927094179 /nfs/dbraw/zinc/09/41/79/927094179.db2.gz RUGFDKXFKHGYDY-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545797 927094247 /nfs/dbraw/zinc/09/42/47/927094247.db2.gz IYAKEGUHAOCXIA-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001423545797 927094264 /nfs/dbraw/zinc/09/42/64/927094264.db2.gz IYAKEGUHAOCXIA-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423537311 927094376 /nfs/dbraw/zinc/09/43/76/927094376.db2.gz KIYPQUHSXHYUKD-ZJUUUORDSA-N 1 1 311.404 -2.333 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423571262 927095317 /nfs/dbraw/zinc/09/53/17/927095317.db2.gz GTPYMKQJMGOUME-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001423571262 927095332 /nfs/dbraw/zinc/09/53/32/927095332.db2.gz GTPYMKQJMGOUME-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423571264 927095548 /nfs/dbraw/zinc/09/55/48/927095548.db2.gz GTPYMKQJMGOUME-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001423571264 927095564 /nfs/dbraw/zinc/09/55/64/927095564.db2.gz GTPYMKQJMGOUME-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584932 927096404 /nfs/dbraw/zinc/09/64/04/927096404.db2.gz NQZLRKXMLZWQOG-YMTOWFKASA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423584932 927096409 /nfs/dbraw/zinc/09/64/09/927096409.db2.gz NQZLRKXMLZWQOG-YMTOWFKASA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423599224 927096474 /nfs/dbraw/zinc/09/64/74/927096474.db2.gz RUMYIYGWGXHSBU-AWEZNQCLSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423599224 927096485 /nfs/dbraw/zinc/09/64/85/927096485.db2.gz RUMYIYGWGXHSBU-AWEZNQCLSA-N 1 1 311.386 -1.096 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001423558938 927096790 /nfs/dbraw/zinc/09/67/90/927096790.db2.gz DCSZSHGFHFKLEX-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001423549181 927096920 /nfs/dbraw/zinc/09/69/20/927096920.db2.gz GQHJPUUJDQPMGA-AWEZNQCLSA-N 1 1 321.385 -1.124 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001423558933 927097213 /nfs/dbraw/zinc/09/72/13/927097213.db2.gz DCSZSHGFHFKLEX-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001423561139 927097852 /nfs/dbraw/zinc/09/78/52/927097852.db2.gz TXVXFISROMFALX-OUJBWJOFSA-N 1 1 302.375 -1.369 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001423552460 927098298 /nfs/dbraw/zinc/09/82/98/927098298.db2.gz XHRRZIVKEPBUSY-WDEREUQCSA-N 1 1 311.386 -1.032 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001423583614 927098481 /nfs/dbraw/zinc/09/84/81/927098481.db2.gz KYYQTZSAXZAVJV-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001423557693 927098760 /nfs/dbraw/zinc/09/87/60/927098760.db2.gz BCZVNYOFOADCFG-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001423628592 927100521 /nfs/dbraw/zinc/10/05/21/927100521.db2.gz UGINSUUVOWDTPP-NXEZZACHSA-N 1 1 314.342 -1.952 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001423628592 927100526 /nfs/dbraw/zinc/10/05/26/927100526.db2.gz UGINSUUVOWDTPP-NXEZZACHSA-N 1 1 314.342 -1.952 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639436 927101162 /nfs/dbraw/zinc/10/11/62/927101162.db2.gz DEBQEDPTAZKNAU-RYUDHWBXSA-N 1 1 300.403 -1.124 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCNC1=O ZINC001423626195 927101611 /nfs/dbraw/zinc/10/16/11/927101611.db2.gz KKKLSNXUMZWEHT-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@@H]1CCNC1=O ZINC001423626195 927101618 /nfs/dbraw/zinc/10/16/18/927101618.db2.gz KKKLSNXUMZWEHT-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1COCCO1)[C@H]1CCNC1=O ZINC001423633068 927102110 /nfs/dbraw/zinc/10/21/10/927102110.db2.gz KBTCBMORIJKQFG-NWDGAFQWSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1COCCO1)[C@H]1CCNC1=O ZINC001423633068 927102120 /nfs/dbraw/zinc/10/21/20/927102120.db2.gz KBTCBMORIJKQFG-NWDGAFQWSA-N 1 1 315.370 -1.645 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)CCC[N@H+](CC(N)=O)C1 ZINC001423699104 927103957 /nfs/dbraw/zinc/10/39/57/927103957.db2.gz AKDOZIIUDAEUHM-GFCCVEGCSA-N 1 1 320.415 -1.761 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC(N)=O)C1 ZINC001423699104 927103976 /nfs/dbraw/zinc/10/39/76/927103976.db2.gz AKDOZIIUDAEUHM-GFCCVEGCSA-N 1 1 320.415 -1.761 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCNC1=O ZINC001423644380 927104545 /nfs/dbraw/zinc/10/45/45/927104545.db2.gz WMBPBDLDKSNIOT-LLVKDONJSA-N 1 1 310.358 -1.769 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@@H]1CCNC1=O ZINC001423644380 927104552 /nfs/dbraw/zinc/10/45/52/927104552.db2.gz WMBPBDLDKSNIOT-LLVKDONJSA-N 1 1 310.358 -1.769 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2CCC2)C1 ZINC001423743066 927107089 /nfs/dbraw/zinc/10/70/89/927107089.db2.gz QOOXZENXWPRPSO-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2CCC2)C1 ZINC001423743066 927107099 /nfs/dbraw/zinc/10/70/99/927107099.db2.gz QOOXZENXWPRPSO-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO O=C(NCC1([NH2+]CCn2cncn2)CCOCC1)c1nc[nH]n1 ZINC001423714573 927108350 /nfs/dbraw/zinc/10/83/50/927108350.db2.gz BQACCFKEOASVIE-UHFFFAOYSA-N 1 1 320.357 -1.035 20 0 DAADMO O=C(NCC1([NH2+]CCn2cncn2)CCOCC1)c1ncn[nH]1 ZINC001423714573 927108342 /nfs/dbraw/zinc/10/83/42/927108342.db2.gz BQACCFKEOASVIE-UHFFFAOYSA-N 1 1 320.357 -1.035 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743016 927108456 /nfs/dbraw/zinc/10/84/56/927108456.db2.gz PSEFVLSYQROBEB-AWEZNQCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001423743016 927108471 /nfs/dbraw/zinc/10/84/71/927108471.db2.gz PSEFVLSYQROBEB-AWEZNQCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001423749964 927110112 /nfs/dbraw/zinc/11/01/12/927110112.db2.gz VQZCEGDIIRXJSX-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743746 927111473 /nfs/dbraw/zinc/11/14/73/927111473.db2.gz DKUVZZCQQJCLRA-SKDRFNHKSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743746 927111497 /nfs/dbraw/zinc/11/14/97/927111497.db2.gz DKUVZZCQQJCLRA-SKDRFNHKSA-N 1 1 313.383 -1.031 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001423749810 927112049 /nfs/dbraw/zinc/11/20/49/927112049.db2.gz BDQNTYXTVVIRSG-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423756976 927113909 /nfs/dbraw/zinc/11/39/09/927113909.db2.gz JMVGUAUMQCLLBW-YGRLFVJLSA-N 1 1 322.369 -1.740 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2cncn2C1 ZINC001423758671 927114118 /nfs/dbraw/zinc/11/41/18/927114118.db2.gz IQGFNGGFOMJKCI-IUODEOHRSA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757037 927114324 /nfs/dbraw/zinc/11/43/24/927114324.db2.gz KBMKHSMHUDYUDS-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757037 927114334 /nfs/dbraw/zinc/11/43/34/927114334.db2.gz KBMKHSMHUDYUDS-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO O=C(CNC(=O)c1ccncc1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001423758145 927114392 /nfs/dbraw/zinc/11/43/92/927114392.db2.gz GPICZJGRTRCYMB-HNNXBMFYSA-N 1 1 322.365 -1.643 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001423756068 927114525 /nfs/dbraw/zinc/11/45/25/927114525.db2.gz FJBUPEOYXDWQAR-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001423756068 927114537 /nfs/dbraw/zinc/11/45/37/927114537.db2.gz FJBUPEOYXDWQAR-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001423757729 927114695 /nfs/dbraw/zinc/11/46/95/927114695.db2.gz KZSXVKBVBXANAH-LKFCYVNXSA-N 1 1 323.353 -1.517 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423760171 927114879 /nfs/dbraw/zinc/11/48/79/927114879.db2.gz PYICZADTSSIJKZ-HZMBPMFUSA-N 1 1 324.385 -1.542 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2cncn2C1 ZINC001423758662 927115468 /nfs/dbraw/zinc/11/54/68/927115468.db2.gz IQGFNGGFOMJKCI-DOMZBBRYSA-N 1 1 308.382 -1.009 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCc2cncn2C1 ZINC001423758686 927115572 /nfs/dbraw/zinc/11/55/72/927115572.db2.gz IQGFNGGFOMJKCI-WFASDCNBSA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001423753749 927115623 /nfs/dbraw/zinc/11/56/23/927115623.db2.gz FTPNOHSGFGSKLD-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001423753749 927115626 /nfs/dbraw/zinc/11/56/26/927115626.db2.gz FTPNOHSGFGSKLD-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001423753669 927115775 /nfs/dbraw/zinc/11/57/75/927115775.db2.gz BTWZYYZERQDTHP-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001423753669 927115781 /nfs/dbraw/zinc/11/57/81/927115781.db2.gz BTWZYYZERQDTHP-LLVKDONJSA-N 1 1 311.379 -1.552 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423757565 927115829 /nfs/dbraw/zinc/11/58/29/927115829.db2.gz HNUSWZSJGSXBSH-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnn2ccncc12 ZINC001423754984 927115909 /nfs/dbraw/zinc/11/59/09/927115909.db2.gz GWBDFOQEERWONE-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757034 927116519 /nfs/dbraw/zinc/11/65/19/927116519.db2.gz KBMKHSMHUDYUDS-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757034 927116530 /nfs/dbraw/zinc/11/65/30/927116530.db2.gz KBMKHSMHUDYUDS-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1)S(C)(=O)=O ZINC001423762523 927117372 /nfs/dbraw/zinc/11/73/72/927117372.db2.gz JRIYHWVLHBFYLQ-CYBMUJFWSA-N 1 1 319.427 -1.159 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001423764076 927117447 /nfs/dbraw/zinc/11/74/47/927117447.db2.gz MIRNYGLMJZOODN-HNNXBMFYSA-N 1 1 324.381 -1.490 20 0 DAADMO Cn1ccnc1COCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423763023 927118167 /nfs/dbraw/zinc/11/81/67/927118167.db2.gz VCAWEDUPLVCWND-AWEZNQCLSA-N 1 1 312.370 -1.518 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423762002 927118409 /nfs/dbraw/zinc/11/84/09/927118409.db2.gz SXQJSQVFBZPSBP-AWEZNQCLSA-N 1 1 324.385 -1.492 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423762002 927118414 /nfs/dbraw/zinc/11/84/14/927118414.db2.gz SXQJSQVFBZPSBP-AWEZNQCLSA-N 1 1 324.385 -1.492 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423760971 927118632 /nfs/dbraw/zinc/11/86/32/927118632.db2.gz QMUXROGSEOWNIO-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423760971 927118639 /nfs/dbraw/zinc/11/86/39/927118639.db2.gz QMUXROGSEOWNIO-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423764463 927118660 /nfs/dbraw/zinc/11/86/60/927118660.db2.gz YHJJHLFRGSYQAI-YGRLFVJLSA-N 1 1 310.354 -1.177 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@H+](C(C)C)C1 ZINC001423761448 927118910 /nfs/dbraw/zinc/11/89/10/927118910.db2.gz KRFSOVLSFSYADD-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001423766624 927119294 /nfs/dbraw/zinc/11/92/94/927119294.db2.gz PXPBMPMOYOUXCV-GLQYFDAESA-N 1 1 311.382 -1.336 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001423766624 927119299 /nfs/dbraw/zinc/11/92/99/927119299.db2.gz PXPBMPMOYOUXCV-GLQYFDAESA-N 1 1 311.382 -1.336 20 0 DAADMO CC1CC(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001423768512 927119407 /nfs/dbraw/zinc/11/94/07/927119407.db2.gz QSHMONMAGCFIGT-FDZGAKKTSA-N 1 1 312.370 -1.220 20 0 DAADMO CC1CC(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001423768512 927119415 /nfs/dbraw/zinc/11/94/15/927119415.db2.gz QSHMONMAGCFIGT-FDZGAKKTSA-N 1 1 312.370 -1.220 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccn3nccc23)C1 ZINC001423768800 927119555 /nfs/dbraw/zinc/11/95/55/927119555.db2.gz CLARYNFLXUDFES-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccn3nccc23)C1 ZINC001423768800 927119561 /nfs/dbraw/zinc/11/95/61/927119561.db2.gz CLARYNFLXUDFES-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423761412 927119580 /nfs/dbraw/zinc/11/95/80/927119580.db2.gz WNRODUIFIQRTNY-LBPRGKRZSA-N 1 1 313.383 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423761412 927119587 /nfs/dbraw/zinc/11/95/87/927119587.db2.gz WNRODUIFIQRTNY-LBPRGKRZSA-N 1 1 313.383 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423762383 927119682 /nfs/dbraw/zinc/11/96/82/927119682.db2.gz VSGQFILXLQIEQV-CQSZACIVSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001423762383 927119689 /nfs/dbraw/zinc/11/96/89/927119689.db2.gz VSGQFILXLQIEQV-CQSZACIVSA-N 1 1 312.370 -2.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770460 927119821 /nfs/dbraw/zinc/11/98/21/927119821.db2.gz DIVQWMQMWJCDMZ-KRTXAFLBSA-N 1 1 314.367 -1.111 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770460 927119830 /nfs/dbraw/zinc/11/98/30/927119830.db2.gz DIVQWMQMWJCDMZ-KRTXAFLBSA-N 1 1 314.367 -1.111 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423760978 927119874 /nfs/dbraw/zinc/11/98/74/927119874.db2.gz QMUXROGSEOWNIO-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423760978 927119880 /nfs/dbraw/zinc/11/98/80/927119880.db2.gz QMUXROGSEOWNIO-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770456 927119983 /nfs/dbraw/zinc/11/99/83/927119983.db2.gz DIVQWMQMWJCDMZ-JMCQJSRRSA-N 1 1 314.367 -1.111 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770456 927119995 /nfs/dbraw/zinc/11/99/95/927119995.db2.gz DIVQWMQMWJCDMZ-JMCQJSRRSA-N 1 1 314.367 -1.111 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423764438 927120147 /nfs/dbraw/zinc/12/01/47/927120147.db2.gz ZLLNGALNFCQBQD-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001423764438 927120158 /nfs/dbraw/zinc/12/01/58/927120158.db2.gz ZLLNGALNFCQBQD-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423763523 927120199 /nfs/dbraw/zinc/12/01/99/927120199.db2.gz VUEBKQKLAVUMPO-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423763523 927120207 /nfs/dbraw/zinc/12/02/07/927120207.db2.gz VUEBKQKLAVUMPO-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001423777080 927122012 /nfs/dbraw/zinc/12/20/12/927122012.db2.gz QJGVFRXNKOIQMK-IUODEOHRSA-N 1 1 313.398 -1.067 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001423775094 927122522 /nfs/dbraw/zinc/12/25/22/927122522.db2.gz GJQYAPMIALMONU-TVQRCGJNSA-N 1 1 300.359 -2.203 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001423775094 927122529 /nfs/dbraw/zinc/12/25/29/927122529.db2.gz GJQYAPMIALMONU-TVQRCGJNSA-N 1 1 300.359 -2.203 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001423777356 927123037 /nfs/dbraw/zinc/12/30/37/927123037.db2.gz JIJXQKJENAVVAF-KOLCDFICSA-N 1 1 324.403 -3.026 20 0 DAADMO CCc1c(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001423779939 927123179 /nfs/dbraw/zinc/12/31/79/927123179.db2.gz YIBHVFYUJFLQLK-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001423779939 927123185 /nfs/dbraw/zinc/12/31/85/927123185.db2.gz YIBHVFYUJFLQLK-CQSZACIVSA-N 1 1 309.370 -1.366 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001423779827 927123225 /nfs/dbraw/zinc/12/32/25/927123225.db2.gz ADBGMVPHRHWBGO-CYBMUJFWSA-N 1 1 309.326 -2.318 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001423779827 927123230 /nfs/dbraw/zinc/12/32/30/927123230.db2.gz ADBGMVPHRHWBGO-CYBMUJFWSA-N 1 1 309.326 -2.318 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423778507 927123386 /nfs/dbraw/zinc/12/33/86/927123386.db2.gz RCNXMRKXKPBCCD-SRUOACAKSA-N 1 1 323.393 -1.291 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001423778507 927123393 /nfs/dbraw/zinc/12/33/93/927123393.db2.gz RCNXMRKXKPBCCD-SRUOACAKSA-N 1 1 323.393 -1.291 20 0 DAADMO CCc1c(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001423779933 927123782 /nfs/dbraw/zinc/12/37/82/927123782.db2.gz YIBHVFYUJFLQLK-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001423779933 927123794 /nfs/dbraw/zinc/12/37/94/927123794.db2.gz YIBHVFYUJFLQLK-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423774333 927124499 /nfs/dbraw/zinc/12/44/99/927124499.db2.gz YWBDDXMKCWZBNT-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001423793182 927125442 /nfs/dbraw/zinc/12/54/42/927125442.db2.gz YSURCPPLNLKCRL-GFCCVEGCSA-N 1 1 323.415 -1.746 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001423787462 927125484 /nfs/dbraw/zinc/12/54/84/927125484.db2.gz ILTQKMALBZXRDK-IINYFYTJSA-N 1 1 320.353 -1.328 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001423786110 927125752 /nfs/dbraw/zinc/12/57/52/927125752.db2.gz DDEZIBHALNOZGF-CYBMUJFWSA-N 1 1 306.326 -1.686 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001423786110 927125765 /nfs/dbraw/zinc/12/57/65/927125765.db2.gz DDEZIBHALNOZGF-CYBMUJFWSA-N 1 1 306.326 -1.686 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)O1 ZINC001423785112 927127200 /nfs/dbraw/zinc/12/72/00/927127200.db2.gz JOEXDBJDGILQMW-MISXGVKJSA-N 1 1 317.361 -1.068 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423784587 927127258 /nfs/dbraw/zinc/12/72/58/927127258.db2.gz IEIBPXYJVPKCAL-ZETOZRRWSA-N 1 1 324.381 -2.061 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423784587 927127263 /nfs/dbraw/zinc/12/72/63/927127263.db2.gz IEIBPXYJVPKCAL-ZETOZRRWSA-N 1 1 324.381 -2.061 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccncn1 ZINC001423792996 927127356 /nfs/dbraw/zinc/12/73/56/927127356.db2.gz ODNPXJRWYUYHLZ-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccncn1 ZINC001423792996 927127364 /nfs/dbraw/zinc/12/73/64/927127364.db2.gz ODNPXJRWYUYHLZ-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cc1 ZINC001423792684 927127550 /nfs/dbraw/zinc/12/75/50/927127550.db2.gz BLADDNHROVXRHO-OAHLLOKOSA-N 1 1 307.350 -1.056 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ccnnc1 ZINC001423783878 927127603 /nfs/dbraw/zinc/12/76/03/927127603.db2.gz FHYYDHLLESTGCS-CQSZACIVSA-N 1 1 317.353 -1.065 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001423785778 927127625 /nfs/dbraw/zinc/12/76/25/927127625.db2.gz GQWAUKDWCNGGFJ-CYBMUJFWSA-N 1 1 324.385 -1.248 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001423786389 927127641 /nfs/dbraw/zinc/12/76/41/927127641.db2.gz AZIRUOXMZZILOU-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001423791315 927127817 /nfs/dbraw/zinc/12/78/17/927127817.db2.gz FNRWDQTXPWGOQP-HNNXBMFYSA-N 1 1 323.397 -1.046 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ccnnc1 ZINC001423783877 927127834 /nfs/dbraw/zinc/12/78/34/927127834.db2.gz FHYYDHLLESTGCS-AWEZNQCLSA-N 1 1 317.353 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001423788762 927127997 /nfs/dbraw/zinc/12/79/97/927127997.db2.gz JXRSHBWZONWKHY-RISCZKNCSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COC[C@H]2CCCO2)C1 ZINC001423788762 927128000 /nfs/dbraw/zinc/12/80/00/927128000.db2.gz JXRSHBWZONWKHY-RISCZKNCSA-N 1 1 315.370 -1.780 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001423786626 927128017 /nfs/dbraw/zinc/12/80/17/927128017.db2.gz AZIRUOXMZZILOU-PWSUYJOCSA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ncccn1 ZINC001423792981 927128304 /nfs/dbraw/zinc/12/83/04/927128304.db2.gz OBQFZVALVMYFNN-AWEZNQCLSA-N 1 1 317.353 -1.065 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001423791252 927128380 /nfs/dbraw/zinc/12/83/80/927128380.db2.gz IKOFAQYXIOLYSG-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001423793183 927128452 /nfs/dbraw/zinc/12/84/52/927128452.db2.gz YSURCPPLNLKCRL-LBPRGKRZSA-N 1 1 323.415 -1.746 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001423794467 927129529 /nfs/dbraw/zinc/12/95/29/927129529.db2.gz SYLZHQZIONHVJV-ZYHUDNBSSA-N 1 1 308.400 -1.788 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423794467 927129539 /nfs/dbraw/zinc/12/95/39/927129539.db2.gz SYLZHQZIONHVJV-ZYHUDNBSSA-N 1 1 308.400 -1.788 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001423793909 927129830 /nfs/dbraw/zinc/12/98/30/927129830.db2.gz JTJRYQBWVRNODV-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001423793909 927129838 /nfs/dbraw/zinc/12/98/38/927129838.db2.gz JTJRYQBWVRNODV-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001423794285 927130199 /nfs/dbraw/zinc/13/01/99/927130199.db2.gz WEQOJXCSNHGGLQ-UHIISALHSA-N 1 1 322.369 -2.011 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001423794285 927130208 /nfs/dbraw/zinc/13/02/08/927130208.db2.gz WEQOJXCSNHGGLQ-UHIISALHSA-N 1 1 322.369 -2.011 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798161 927130324 /nfs/dbraw/zinc/13/03/24/927130324.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798161 927130333 /nfs/dbraw/zinc/13/03/33/927130333.db2.gz FGYLVCCQYCPVBY-RISCZKNCSA-N 1 1 314.386 -2.255 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001423793913 927130578 /nfs/dbraw/zinc/13/05/78/927130578.db2.gz JTJRYQBWVRNODV-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001423793913 927130581 /nfs/dbraw/zinc/13/05/81/927130581.db2.gz JTJRYQBWVRNODV-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423795877 927130751 /nfs/dbraw/zinc/13/07/51/927130751.db2.gz PPMDZLKJPLQRNQ-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423795877 927130763 /nfs/dbraw/zinc/13/07/63/927130763.db2.gz PPMDZLKJPLQRNQ-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001423793770 927130936 /nfs/dbraw/zinc/13/09/36/927130936.db2.gz DZECYLDPTWXCHV-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001423798084 927131967 /nfs/dbraw/zinc/13/19/67/927131967.db2.gz YMALSYSWYMPJTD-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001423798084 927131982 /nfs/dbraw/zinc/13/19/82/927131982.db2.gz YMALSYSWYMPJTD-IINYFYTJSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423798969 927132423 /nfs/dbraw/zinc/13/24/23/927132423.db2.gz YDGGMXLPISAKNM-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423798969 927132434 /nfs/dbraw/zinc/13/24/34/927132434.db2.gz YDGGMXLPISAKNM-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001423801323 927133044 /nfs/dbraw/zinc/13/30/44/927133044.db2.gz NIYAQBGAYFCHJV-SMDDNHRTSA-N 1 1 300.403 -1.247 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CC(=O)N3CCC3)C2)C1 ZINC001423800572 927133218 /nfs/dbraw/zinc/13/32/18/927133218.db2.gz LILJIQPJUSQOFH-BBRMVZONSA-N 1 1 324.425 -1.277 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001423803114 927134184 /nfs/dbraw/zinc/13/41/84/927134184.db2.gz SSPZDXXGZJXZSZ-JQWIXIFHSA-N 1 1 323.390 -1.409 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001423802123 927134549 /nfs/dbraw/zinc/13/45/49/927134549.db2.gz VPMHHIVRMITNPY-ZDUSSCGKSA-N 1 1 310.358 -1.903 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001423802123 927134555 /nfs/dbraw/zinc/13/45/55/927134555.db2.gz VPMHHIVRMITNPY-ZDUSSCGKSA-N 1 1 310.358 -1.903 20 0 DAADMO Cc1nn(CC(=O)NC[C@]2(O)CC[N@H+](C(C)C)C2)c(=O)n1C ZINC001423800457 927135425 /nfs/dbraw/zinc/13/54/25/927135425.db2.gz RTUIFUAURYIFMA-CQSZACIVSA-N 1 1 311.386 -1.148 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001423803751 927135561 /nfs/dbraw/zinc/13/55/61/927135561.db2.gz VIENPYDXPHUHQI-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001423800223 927135816 /nfs/dbraw/zinc/13/58/16/927135816.db2.gz KLTDWUPNQMQYKY-BMIGLBTASA-N 1 1 322.365 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001423800224 927135927 /nfs/dbraw/zinc/13/59/27/927135927.db2.gz KLTDWUPNQMQYKY-BONVTDFDSA-N 1 1 322.365 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001423800225 927136094 /nfs/dbraw/zinc/13/60/94/927136094.db2.gz KLTDWUPNQMQYKY-MEBBXXQBSA-N 1 1 322.365 -1.272 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1COCCO1 ZINC001423807011 927138230 /nfs/dbraw/zinc/13/82/30/927138230.db2.gz COVAIBQMQNAWOM-STQMWFEESA-N 1 1 314.382 -1.009 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001423828595 927145488 /nfs/dbraw/zinc/14/54/88/927145488.db2.gz ZVMRNWQTHXIYPJ-SNVBAGLBSA-N 1 1 319.427 -1.113 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001423828652 927145818 /nfs/dbraw/zinc/14/58/18/927145818.db2.gz ZUVRTKBKMWMZNO-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO CO[C@@H](C)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423831241 927148037 /nfs/dbraw/zinc/14/80/37/927148037.db2.gz VICPJTCNBLCCDQ-RYUDHWBXSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H](C)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423831241 927148045 /nfs/dbraw/zinc/14/80/45/927148045.db2.gz VICPJTCNBLCCDQ-RYUDHWBXSA-N 1 1 301.387 -1.485 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001423831504 927148188 /nfs/dbraw/zinc/14/81/88/927148188.db2.gz FDUNBSPQMYAMST-CYBMUJFWSA-N 1 1 322.413 -1.038 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001423833683 927148414 /nfs/dbraw/zinc/14/84/14/927148414.db2.gz QTPKPXHXWQIDNU-UHFFFAOYSA-N 1 1 300.359 -2.188 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001423833204 927148886 /nfs/dbraw/zinc/14/88/86/927148886.db2.gz ZFYHZNGZENXRLX-VXGBXAGGSA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001423833204 927148901 /nfs/dbraw/zinc/14/89/01/927148901.db2.gz ZFYHZNGZENXRLX-VXGBXAGGSA-N 1 1 317.386 -2.513 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423831417 927149688 /nfs/dbraw/zinc/14/96/88/927149688.db2.gz DHLFHGGJJWTLAT-NEPJUHHUSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001423872237 927160973 /nfs/dbraw/zinc/16/09/73/927160973.db2.gz RPWGNGNAPJDCJK-SRVKXCTJSA-N 1 1 312.414 -1.247 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001423870850 927162085 /nfs/dbraw/zinc/16/20/85/927162085.db2.gz OVTOVOQIXDZRFT-NSHDSACASA-N 1 1 322.365 -1.027 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001423885430 927166586 /nfs/dbraw/zinc/16/65/86/927166586.db2.gz OOXKNDLLMPKJJX-GFCCVEGCSA-N 1 1 324.385 -1.347 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2cnn(C)n2)C1 ZINC001423907267 927168193 /nfs/dbraw/zinc/16/81/93/927168193.db2.gz ODRYTZFIEVVYKC-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001423909244 927171785 /nfs/dbraw/zinc/17/17/85/927171785.db2.gz HLZKUVSEGNQLSN-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001423937681 927173976 /nfs/dbraw/zinc/17/39/76/927173976.db2.gz AXHIGFOPDQAGJV-QMMMGPOBSA-N 1 1 304.372 -1.370 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnco3)C[C@H]2C1 ZINC001423980916 927175413 /nfs/dbraw/zinc/17/54/13/927175413.db2.gz RARXRUSFEWLCQP-DTORHVGOSA-N 1 1 307.310 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cnnn1)C2 ZINC001423962835 927175520 /nfs/dbraw/zinc/17/55/20/927175520.db2.gz MJDUUPDEYAWEDU-WISYIIOYSA-N 1 1 321.385 -1.094 20 0 DAADMO COC[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001423973038 927175664 /nfs/dbraw/zinc/17/56/64/927175664.db2.gz CQMWAGLWSDEGER-GARJFASQSA-N 1 1 312.370 -1.146 20 0 DAADMO COCCC(=O)N1C[C@@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC001423973518 927176101 /nfs/dbraw/zinc/17/61/01/927176101.db2.gz MMVGESCNAPKSGV-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001423960390 927176735 /nfs/dbraw/zinc/17/67/35/927176735.db2.gz COWRNKMUOFQENI-BDAKNGLRSA-N 1 1 308.342 -1.098 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001423985301 927178562 /nfs/dbraw/zinc/17/85/62/927178562.db2.gz XNFHZHWQULPHJF-FIQHERPVSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C1 ZINC001423985302 927178729 /nfs/dbraw/zinc/17/87/29/927178729.db2.gz XNFHZHWQULPHJF-KKOKHZNYSA-N 1 1 324.381 -1.004 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)C(N)=O ZINC001423984725 927179435 /nfs/dbraw/zinc/17/94/35/927179435.db2.gz JTXMMPUJDNJAMM-TUAOUCFPSA-N 1 1 312.370 -2.251 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001423998371 927179658 /nfs/dbraw/zinc/17/96/58/927179658.db2.gz RKHFLSFTVIOLQW-BBBLOLIVSA-N 1 1 318.399 -2.200 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC001423992112 927179904 /nfs/dbraw/zinc/17/99/04/927179904.db2.gz VWRBLOHRZLOKBV-SDDRHHMPSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001424019839 927181854 /nfs/dbraw/zinc/18/18/54/927181854.db2.gz KOCAANOLALRIRG-INIZCTEOSA-N 1 1 324.425 -1.229 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001424014974 927181996 /nfs/dbraw/zinc/18/19/96/927181996.db2.gz DVDLABZMIZANHD-IINYFYTJSA-N 1 1 312.370 -1.062 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001424019447 927182531 /nfs/dbraw/zinc/18/25/31/927182531.db2.gz JGNVDMJJFXMGOC-CQSZACIVSA-N 1 1 324.385 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001424021160 927182564 /nfs/dbraw/zinc/18/25/64/927182564.db2.gz BIQYRQGLMOPTQZ-WFASDCNBSA-N 1 1 312.414 -1.243 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001424020306 927183136 /nfs/dbraw/zinc/18/31/36/927183136.db2.gz LATMQZDCYBMJDO-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001424017156 927183391 /nfs/dbraw/zinc/18/33/91/927183391.db2.gz VBNHXSJIYNJJRO-CYBMUJFWSA-N 1 1 302.375 -1.759 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001424026038 927184671 /nfs/dbraw/zinc/18/46/71/927184671.db2.gz OKFNPUXLACVBHW-ZDUSSCGKSA-N 1 1 302.375 -1.366 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1c[nH]cc2ncnc1-2)C(N)=O ZINC001424045691 927187473 /nfs/dbraw/zinc/18/74/73/927187473.db2.gz GJWVCSLMRJDISZ-SECBINFHSA-N 1 1 320.353 -1.144 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]2CCCN2C)C1=O ZINC001424064811 927190437 /nfs/dbraw/zinc/19/04/37/927190437.db2.gz HJYDXXOABVQYGQ-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424148363 927203903 /nfs/dbraw/zinc/20/39/03/927203903.db2.gz JSEADBJWYZTSNN-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001424223387 927207295 /nfs/dbraw/zinc/20/72/95/927207295.db2.gz RMKZTYSSNUBWPX-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001424226705 927211993 /nfs/dbraw/zinc/21/19/93/927211993.db2.gz HVGCXPMWWMRDHK-LBPRGKRZSA-N 1 1 324.385 -1.390 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001424282645 927217523 /nfs/dbraw/zinc/21/75/23/927217523.db2.gz COZMDSUQXMNSSX-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)NC)CC1 ZINC001424275932 927217676 /nfs/dbraw/zinc/21/76/76/927217676.db2.gz GIEDOVNBKCKEGW-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001424255843 927218015 /nfs/dbraw/zinc/21/80/15/927218015.db2.gz ABXPRVRDTCYFRC-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C(F)F)C2)C1 ZINC001424316255 927219412 /nfs/dbraw/zinc/21/94/12/927219412.db2.gz GQIDXXOKWPSGLM-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CCO)(NC(=O)C(F)F)C2)C1 ZINC001424316255 927219426 /nfs/dbraw/zinc/21/94/26/927219426.db2.gz GQIDXXOKWPSGLM-VIFPVBQESA-N 1 1 321.324 -1.338 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)CC(=O)N1CCC1 ZINC001424309551 927220590 /nfs/dbraw/zinc/22/05/90/927220590.db2.gz JILWMWKINBDAPH-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001424305729 927220655 /nfs/dbraw/zinc/22/06/55/927220655.db2.gz CMRASFBEGJMEEH-UHFFFAOYSA-N 1 1 311.342 -1.786 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC001424397282 927231160 /nfs/dbraw/zinc/23/11/60/927231160.db2.gz SYVGTTYECWTMEL-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2cn(C)nn2)C1 ZINC001424397277 927232218 /nfs/dbraw/zinc/23/22/18/927232218.db2.gz SYVGTTYECWTMEL-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001424479000 927236028 /nfs/dbraw/zinc/23/60/28/927236028.db2.gz LNHOGEIHYIJZFX-SCZZXKLOSA-N 1 1 309.374 -1.021 20 0 DAADMO CCOCC(=O)N1CCN(C2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001424525889 927239821 /nfs/dbraw/zinc/23/98/21/927239821.db2.gz ZOVIFEOQHOIEBW-CQSZACIVSA-N 1 1 315.414 -1.141 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC001424551993 927241857 /nfs/dbraw/zinc/24/18/57/927241857.db2.gz RJQUIHNSKUVURZ-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC001424551993 927241875 /nfs/dbraw/zinc/24/18/75/927241875.db2.gz RJQUIHNSKUVURZ-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001424536668 927243211 /nfs/dbraw/zinc/24/32/11/927243211.db2.gz FVDQWBGIZOEPBA-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424569674 927244146 /nfs/dbraw/zinc/24/41/46/927244146.db2.gz SZLYDGLIUMRNDS-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001424569674 927244159 /nfs/dbraw/zinc/24/41/59/927244159.db2.gz SZLYDGLIUMRNDS-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC001424563001 927244338 /nfs/dbraw/zinc/24/43/38/927244338.db2.gz YFPURJYCCOQXOQ-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424569688 927245275 /nfs/dbraw/zinc/24/52/75/927245275.db2.gz SZLYDGLIUMRNDS-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001424569688 927245290 /nfs/dbraw/zinc/24/52/90/927245290.db2.gz SZLYDGLIUMRNDS-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnn(C)n1 ZINC001424594364 927246540 /nfs/dbraw/zinc/24/65/40/927246540.db2.gz KQOQZKVJMWSFFB-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC001424628889 927249063 /nfs/dbraw/zinc/24/90/63/927249063.db2.gz FVLDKCRTRZZZHQ-UHFFFAOYSA-N 1 1 314.386 -1.399 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001424639891 927249126 /nfs/dbraw/zinc/24/91/26/927249126.db2.gz GBVCWNGBMNZQIJ-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCn2ccc(=O)[nH]c2=O)CC1 ZINC001424626801 927249217 /nfs/dbraw/zinc/24/92/17/927249217.db2.gz GXRAKGAKPMJSHZ-UHFFFAOYSA-N 1 1 316.383 -1.038 20 0 DAADMO COCC(=O)NC1(CO)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001424629327 927249348 /nfs/dbraw/zinc/24/93/48/927249348.db2.gz QSGKOLQLDJCPRD-SECBINFHSA-N 1 1 316.358 -1.841 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001424647542 927251483 /nfs/dbraw/zinc/25/14/83/927251483.db2.gz HCLODZNCEYOUCT-DTWKUNHWSA-N 1 1 313.358 -2.515 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001424692788 927252947 /nfs/dbraw/zinc/25/29/47/927252947.db2.gz CMDQZPBSNOWBFF-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424704026 927254297 /nfs/dbraw/zinc/25/42/97/927254297.db2.gz LMTMTBFBHUGUME-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001424760168 927255816 /nfs/dbraw/zinc/25/58/16/927255816.db2.gz ZEEJVCUWBDJAHD-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001424777949 927257649 /nfs/dbraw/zinc/25/76/49/927257649.db2.gz LTJXCKFMDRDYGL-RKDXNWHRSA-N 1 1 320.357 -1.400 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)cn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001424777947 927258983 /nfs/dbraw/zinc/25/89/83/927258983.db2.gz LTJXCKFMDRDYGL-IUCAKERBSA-N 1 1 320.357 -1.400 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001424865367 927260962 /nfs/dbraw/zinc/26/09/62/927260962.db2.gz ZMABVTOWTKIGPB-BDAKNGLRSA-N 1 1 320.357 -1.400 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424952996 927263670 /nfs/dbraw/zinc/26/36/70/927263670.db2.gz WGLNJPNVCAPPKL-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424952996 927263684 /nfs/dbraw/zinc/26/36/84/927263684.db2.gz WGLNJPNVCAPPKL-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001424926889 927264266 /nfs/dbraw/zinc/26/42/66/927264266.db2.gz GGWZGWSATNYEHL-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001424938699 927264827 /nfs/dbraw/zinc/26/48/27/927264827.db2.gz MPXLOIDPTULTRS-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001424938699 927264838 /nfs/dbraw/zinc/26/48/38/927264838.db2.gz MPXLOIDPTULTRS-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001424924583 927264956 /nfs/dbraw/zinc/26/49/56/927264956.db2.gz DPSGXZNTZNVQRN-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001424924583 927264969 /nfs/dbraw/zinc/26/49/69/927264969.db2.gz DPSGXZNTZNVQRN-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO COCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001424936789 927265064 /nfs/dbraw/zinc/26/50/64/927265064.db2.gz FTZQNXHYFQELLE-NSHDSACASA-N 1 1 312.370 -1.370 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947880 927266049 /nfs/dbraw/zinc/26/60/49/927266049.db2.gz KQTYBRXTIDAGCL-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001424947880 927266058 /nfs/dbraw/zinc/26/60/58/927266058.db2.gz KQTYBRXTIDAGCL-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001424970575 927266640 /nfs/dbraw/zinc/26/66/40/927266640.db2.gz HBJWGMHQLZRRQI-VIFPVBQESA-N 1 1 311.342 -1.869 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001424970575 927266653 /nfs/dbraw/zinc/26/66/53/927266653.db2.gz HBJWGMHQLZRRQI-VIFPVBQESA-N 1 1 311.342 -1.869 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)NCC1CC1 ZINC001424978229 927269052 /nfs/dbraw/zinc/26/90/52/927269052.db2.gz IRQLQTGRQLEQLQ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001424978229 927269065 /nfs/dbraw/zinc/26/90/65/927269065.db2.gz IRQLQTGRQLEQLQ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001424996232 927269678 /nfs/dbraw/zinc/26/96/78/927269678.db2.gz NLUOMKVAGCUAJL-VHSXEESVSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001424996232 927269693 /nfs/dbraw/zinc/26/96/93/927269693.db2.gz NLUOMKVAGCUAJL-VHSXEESVSA-N 1 1 312.374 -1.718 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001425018210 927270242 /nfs/dbraw/zinc/27/02/42/927270242.db2.gz IMXOIUFYVQEDAB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001425018210 927270255 /nfs/dbraw/zinc/27/02/55/927270255.db2.gz IMXOIUFYVQEDAB-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001425006259 927271402 /nfs/dbraw/zinc/27/14/02/927271402.db2.gz UTTFFDXHNFPZNI-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001425006259 927271416 /nfs/dbraw/zinc/27/14/16/927271416.db2.gz UTTFFDXHNFPZNI-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001425026630 927272058 /nfs/dbraw/zinc/27/20/58/927272058.db2.gz PGNNNQGJGUOVLH-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001425026630 927272076 /nfs/dbraw/zinc/27/20/76/927272076.db2.gz PGNNNQGJGUOVLH-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002540 927272276 /nfs/dbraw/zinc/27/22/76/927272276.db2.gz RMUZDSBPHAZPML-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002540 927272285 /nfs/dbraw/zinc/27/22/85/927272285.db2.gz RMUZDSBPHAZPML-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001425052457 927272847 /nfs/dbraw/zinc/27/28/47/927272847.db2.gz OVTBKJHAILRUEQ-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001425052457 927272863 /nfs/dbraw/zinc/27/28/63/927272863.db2.gz OVTBKJHAILRUEQ-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425054215 927273016 /nfs/dbraw/zinc/27/30/16/927273016.db2.gz VIPYITCAQXUORF-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CCO ZINC001425050734 927273742 /nfs/dbraw/zinc/27/37/42/927273742.db2.gz AHAGJELQNVLLSM-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001425035288 927274446 /nfs/dbraw/zinc/27/44/46/927274446.db2.gz KMRLVPGAWSWITH-YUMQZZPRSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425082218 927276311 /nfs/dbraw/zinc/27/63/11/927276311.db2.gz XAJLMASWDAEFEL-RYUDHWBXSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425082218 927276324 /nfs/dbraw/zinc/27/63/24/927276324.db2.gz XAJLMASWDAEFEL-RYUDHWBXSA-N 1 1 321.443 -1.466 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001425081369 927276347 /nfs/dbraw/zinc/27/63/47/927276347.db2.gz SSSWNARORIEFKC-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001425081369 927276359 /nfs/dbraw/zinc/27/63/59/927276359.db2.gz SSSWNARORIEFKC-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001425081353 927276464 /nfs/dbraw/zinc/27/64/64/927276464.db2.gz SSSWNARORIEFKC-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001425081353 927276475 /nfs/dbraw/zinc/27/64/75/927276475.db2.gz SSSWNARORIEFKC-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425081508 927276718 /nfs/dbraw/zinc/27/67/18/927276718.db2.gz XAJLMASWDAEFEL-NWDGAFQWSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425081508 927276731 /nfs/dbraw/zinc/27/67/31/927276731.db2.gz XAJLMASWDAEFEL-NWDGAFQWSA-N 1 1 321.443 -1.466 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001425070700 927276959 /nfs/dbraw/zinc/27/69/59/927276959.db2.gz OPQRDFKVTUQGRN-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001425070700 927276976 /nfs/dbraw/zinc/27/69/76/927276976.db2.gz OPQRDFKVTUQGRN-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CC[C@H]2CCCO2)C1 ZINC001425095632 927279796 /nfs/dbraw/zinc/27/97/96/927279796.db2.gz CCYVCWCOBGQUKC-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001425094445 927280121 /nfs/dbraw/zinc/28/01/21/927280121.db2.gz WTAMDFDGYJKLBY-NWDGAFQWSA-N 1 1 310.398 -1.478 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001425101168 927282125 /nfs/dbraw/zinc/28/21/25/927282125.db2.gz DNLWNQURDQTQSV-UHFFFAOYSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](CC[C@@H]3CCOC3)C2)n1 ZINC001425106785 927282185 /nfs/dbraw/zinc/28/21/85/927282185.db2.gz YKYPEJAAVDNUAM-LLVKDONJSA-N 1 1 324.385 -1.197 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001425102238 927282436 /nfs/dbraw/zinc/28/24/36/927282436.db2.gz JHKSWAPGMDKZCS-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001425214325 927289829 /nfs/dbraw/zinc/28/98/29/927289829.db2.gz QHHWMHFYTGDHTI-NEPJUHHUSA-N 1 1 312.414 -1.245 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001425247202 927292915 /nfs/dbraw/zinc/29/29/15/927292915.db2.gz WJVSJXBMMAFAPP-ONGXEEELSA-N 1 1 311.386 -1.371 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001425234155 927294217 /nfs/dbraw/zinc/29/42/17/927294217.db2.gz DUSPEUPPNAZSOT-SECBINFHSA-N 1 1 307.354 -1.044 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425256435 927295517 /nfs/dbraw/zinc/29/55/17/927295517.db2.gz NGASEMCTGLXBGW-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001425252745 927295632 /nfs/dbraw/zinc/29/56/32/927295632.db2.gz LHRGDVZVVIOLRE-GXSJLCMTSA-N 1 1 309.374 -1.236 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425296795 927306481 /nfs/dbraw/zinc/30/64/81/927306481.db2.gz JGIRDPSYNIVIEU-VHSXEESVSA-N 1 1 316.358 -2.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001425296414 927306694 /nfs/dbraw/zinc/30/66/94/927306694.db2.gz AJAXDIRYXPJOLE-ZYHUDNBSSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001425296392 927307545 /nfs/dbraw/zinc/30/75/45/927307545.db2.gz AJAXDIRYXPJOLE-CMPLNLGQSA-N 1 1 309.370 -1.042 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)n1 ZINC001425313009 927315238 /nfs/dbraw/zinc/31/52/38/927315238.db2.gz FYSBMPMIIJSMCO-OWUUHHOZSA-N 1 1 308.342 -2.337 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCOC3)[C@@H]2C1 ZINC001425314736 927315499 /nfs/dbraw/zinc/31/54/99/927315499.db2.gz FWJYAKGNCQIAFQ-FIQHERPVSA-N 1 1 324.381 -1.098 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001425321988 927316649 /nfs/dbraw/zinc/31/66/49/927316649.db2.gz NHEWCTRMSZDVRA-KKOKHZNYSA-N 1 1 315.370 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321967 927316804 /nfs/dbraw/zinc/31/68/04/927316804.db2.gz AYEXEIUAJKHEFQ-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321967 927316817 /nfs/dbraw/zinc/31/68/17/927316817.db2.gz AYEXEIUAJKHEFQ-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001425319010 927317751 /nfs/dbraw/zinc/31/77/51/927317751.db2.gz DUJNHJBXFGYZSF-ZDEQEGDKSA-N 1 1 313.398 -1.234 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425325206 927319119 /nfs/dbraw/zinc/31/91/19/927319119.db2.gz GSJOYUYTMFXABU-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425325206 927319132 /nfs/dbraw/zinc/31/91/32/927319132.db2.gz GSJOYUYTMFXABU-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc(C4CC4)nn3)[C@@H]2C1 ZINC001425323275 927319526 /nfs/dbraw/zinc/31/95/26/927319526.db2.gz JHKPBKULINTZDE-CNDDSTCGSA-N 1 1 318.381 -1.065 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001425330114 927320672 /nfs/dbraw/zinc/32/06/72/927320672.db2.gz QYISKVFMGZOCHX-XYYAHUGASA-N 1 1 310.398 -1.105 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001425334940 927321339 /nfs/dbraw/zinc/32/13/39/927321339.db2.gz VNTCNXMUTQNABX-KKOKHZNYSA-N 1 1 319.427 -1.447 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001425342827 927324118 /nfs/dbraw/zinc/32/41/18/927324118.db2.gz AERPUFMFKFDELF-CNDDSTCGSA-N 1 1 306.370 -1.292 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425352619 927330713 /nfs/dbraw/zinc/33/07/13/927330713.db2.gz RTWGVTKGIXKJSB-WDEREUQCSA-N 1 1 301.387 -1.308 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccccc3=O)[C@@H]2C1 ZINC001425358170 927333090 /nfs/dbraw/zinc/33/30/90/927333090.db2.gz GHZDWCZYXYFHHT-CNDDSTCGSA-N 1 1 304.350 -1.372 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cncnc2)C1 ZINC001425360758 927334798 /nfs/dbraw/zinc/33/47/98/927334798.db2.gz VWTRYWIOAFAZIZ-CMPLNLGQSA-N 1 1 307.354 -1.365 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC001425362293 927335483 /nfs/dbraw/zinc/33/54/83/927335483.db2.gz PTTCUDVFGVRLKY-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC001425366248 927337138 /nfs/dbraw/zinc/33/71/38/927337138.db2.gz KNCRPPQRJBUUDM-WCQYABFASA-N 1 1 303.403 -1.063 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CC2(O)CCC2)C1 ZINC001425387681 927340805 /nfs/dbraw/zinc/34/08/05/927340805.db2.gz BZDGCXXZEWHGPK-RYUDHWBXSA-N 1 1 313.398 -1.164 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cncn4)[C@@H]3C2)C1=O ZINC001425380468 927342306 /nfs/dbraw/zinc/34/23/06/927342306.db2.gz OJUHYQBSWWXSMT-RVMXOQNASA-N 1 1 318.381 -1.197 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425389516 927343122 /nfs/dbraw/zinc/34/31/22/927343122.db2.gz GSIUHWWGTVJCEK-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425389516 927343135 /nfs/dbraw/zinc/34/31/35/927343135.db2.gz GSIUHWWGTVJCEK-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1nc(CC(=O)N[C@H](CO)CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001425390944 927343317 /nfs/dbraw/zinc/34/33/17/927343317.db2.gz KQXWMHVLTIYGOB-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425388585 927343396 /nfs/dbraw/zinc/34/33/96/927343396.db2.gz DCFDNUVAIDCVQA-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cnnn2)C1 ZINC001425390317 927344584 /nfs/dbraw/zinc/34/45/84/927344584.db2.gz ICXMVAQHCZPSBN-ZJUUUORDSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C2=COCCO2)C1 ZINC001425393731 927345928 /nfs/dbraw/zinc/34/59/28/927345928.db2.gz NLUMJVDHYVTKHQ-QWRGUYRKSA-N 1 1 313.354 -1.580 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001425396037 927346980 /nfs/dbraw/zinc/34/69/80/927346980.db2.gz VPOZJGWGLCPEAQ-NEPJUHHUSA-N 1 1 310.354 -1.036 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425394146 927347252 /nfs/dbraw/zinc/34/72/52/927347252.db2.gz OYWPOUJVWMFCGI-ZJUUUORDSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001425392397 927347303 /nfs/dbraw/zinc/34/73/03/927347303.db2.gz NHEBLIRJPUBHSZ-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001425398246 927348926 /nfs/dbraw/zinc/34/89/26/927348926.db2.gz YYQOXTBUCSHKAJ-LLVKDONJSA-N 1 1 306.326 -1.178 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)CN2CCOCC2)CC1 ZINC001425417199 927352478 /nfs/dbraw/zinc/35/24/78/927352478.db2.gz BBRCWJLRDNIWAR-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001425418401 927352680 /nfs/dbraw/zinc/35/26/80/927352680.db2.gz VZAWLGLQWLZAIM-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001425426447 927355368 /nfs/dbraw/zinc/35/53/68/927355368.db2.gz LLUZDQUZJFXHAS-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001425430776 927355835 /nfs/dbraw/zinc/35/58/35/927355835.db2.gz IHGZTPCRYYQYFT-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001425428331 927357101 /nfs/dbraw/zinc/35/71/01/927357101.db2.gz XXBHGLPREJYYMT-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001425437564 927358593 /nfs/dbraw/zinc/35/85/93/927358593.db2.gz CWBILDONXVOXTR-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439456 927359773 /nfs/dbraw/zinc/35/97/73/927359773.db2.gz BBFODVNWPVRFBS-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439456 927359785 /nfs/dbraw/zinc/35/97/85/927359785.db2.gz BBFODVNWPVRFBS-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001425439467 927360362 /nfs/dbraw/zinc/36/03/62/927360362.db2.gz MPGYDZOBQMSEIN-WDEREUQCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnn[nH]1 ZINC001425439438 927360632 /nfs/dbraw/zinc/36/06/32/927360632.db2.gz MPGYDZOBQMSEIN-GHMZBOCLSA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ccnn1C ZINC001425442180 927360873 /nfs/dbraw/zinc/36/08/73/927360873.db2.gz FYBAMMWCQFBBNJ-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425442348 927361325 /nfs/dbraw/zinc/36/13/25/927361325.db2.gz LEUQOAVUSOBHBK-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)COCC(F)F)C1 ZINC001425438515 927361651 /nfs/dbraw/zinc/36/16/51/927361651.db2.gz CDULQBAGAPAZIW-VHSXEESVSA-N 1 1 323.340 -1.187 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cccnn1 ZINC001425444472 927363496 /nfs/dbraw/zinc/36/34/96/927363496.db2.gz JMDUJMYRXFGWBD-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001425445887 927364065 /nfs/dbraw/zinc/36/40/65/927364065.db2.gz MUAMVQJRFSQRCF-MNOVXSKESA-N 1 1 323.353 -1.937 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ncn(C)n1 ZINC001425455371 927366505 /nfs/dbraw/zinc/36/65/05/927366505.db2.gz YDOXBGWCUCHCKS-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CN1CCCC1 ZINC001425461582 927368980 /nfs/dbraw/zinc/36/89/80/927368980.db2.gz PCCVYFQCFGOETF-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CN1CCCC1 ZINC001425461582 927368997 /nfs/dbraw/zinc/36/89/97/927368997.db2.gz PCCVYFQCFGOETF-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001425483459 927375051 /nfs/dbraw/zinc/37/50/51/927375051.db2.gz FNKHITFUGDPTPG-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001425517988 927387103 /nfs/dbraw/zinc/38/71/03/927387103.db2.gz GSDFMMMCVYZMNQ-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425537929 927393424 /nfs/dbraw/zinc/39/34/24/927393424.db2.gz YYKASWGZXLOIAO-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537929 927393436 /nfs/dbraw/zinc/39/34/36/927393436.db2.gz YYKASWGZXLOIAO-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537929 927393442 /nfs/dbraw/zinc/39/34/42/927393442.db2.gz YYKASWGZXLOIAO-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001425601658 927397128 /nfs/dbraw/zinc/39/71/28/927397128.db2.gz NCGKNYHLEFRXNT-GXSJLCMTSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001425685735 927399656 /nfs/dbraw/zinc/39/96/56/927399656.db2.gz RWMIZHJVCMKWRY-SCZZXKLOSA-N 1 1 317.371 -1.302 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CN2CCCC2=O)cn1 ZINC001425704339 927403789 /nfs/dbraw/zinc/40/37/89/927403789.db2.gz FDYTYDGGVVCBQF-ZDUSSCGKSA-N 1 1 321.381 -1.026 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001425715282 927406712 /nfs/dbraw/zinc/40/67/12/927406712.db2.gz REMQOHRHPPBESG-LLVKDONJSA-N 1 1 309.305 -1.526 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1CCC(O)CC1 ZINC001425723670 927408048 /nfs/dbraw/zinc/40/80/48/927408048.db2.gz ADAMNXLJVVHJSH-QWKFWESOSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001425726439 927408448 /nfs/dbraw/zinc/40/84/48/927408448.db2.gz UNRZYFJVDRERNW-SECBINFHSA-N 1 1 305.356 -1.406 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C1CCC(O)CC1 ZINC001425723665 927408516 /nfs/dbraw/zinc/40/85/16/927408516.db2.gz ADAMNXLJVVHJSH-AKJDGMEZSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)C1 ZINC001425727032 927410541 /nfs/dbraw/zinc/41/05/41/927410541.db2.gz PAVJFABZJRJNBA-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)C1 ZINC001425727032 927410551 /nfs/dbraw/zinc/41/05/51/927410551.db2.gz PAVJFABZJRJNBA-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001425729665 927412003 /nfs/dbraw/zinc/41/20/03/927412003.db2.gz IFONUFQAGJVUSK-NEPJUHHUSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001425729665 927412010 /nfs/dbraw/zinc/41/20/10/927412010.db2.gz IFONUFQAGJVUSK-NEPJUHHUSA-N 1 1 312.374 -2.288 20 0 DAADMO CCc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)[nH]n1 ZINC001425745094 927418628 /nfs/dbraw/zinc/41/86/28/927418628.db2.gz WYEVCMZABHPLPK-SNVBAGLBSA-N 1 1 307.358 -1.019 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2CC)n1 ZINC001425746836 927420915 /nfs/dbraw/zinc/42/09/15/927420915.db2.gz OQOHXJILZPPFQO-JTQLQIEISA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001425747560 927422249 /nfs/dbraw/zinc/42/22/49/927422249.db2.gz ZUXYXTXRBROEBH-SNVBAGLBSA-N 1 1 316.383 -1.969 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C)n[nH]1 ZINC001425747753 927422864 /nfs/dbraw/zinc/42/28/64/927422864.db2.gz QITOCJPABOOLQT-WPRPVWTQSA-N 1 1 312.374 -1.801 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001425750631 927425068 /nfs/dbraw/zinc/42/50/68/927425068.db2.gz GVKRRLZZRLAMRG-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001425757617 927427886 /nfs/dbraw/zinc/42/78/86/927427886.db2.gz YYTHEACCMURXNG-DTWKUNHWSA-N 1 1 307.372 -2.494 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425760352 927429608 /nfs/dbraw/zinc/42/96/08/927429608.db2.gz KZUUJHCYFVVOLW-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425760352 927429617 /nfs/dbraw/zinc/42/96/17/927429617.db2.gz KZUUJHCYFVVOLW-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001425765124 927431966 /nfs/dbraw/zinc/43/19/66/927431966.db2.gz QFLWBHJXJOLTOC-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001425767037 927434468 /nfs/dbraw/zinc/43/44/68/927434468.db2.gz WIQKFWXTXRPJPK-MNOVXSKESA-N 1 1 324.385 -1.559 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1 ZINC001425769144 927436081 /nfs/dbraw/zinc/43/60/81/927436081.db2.gz ZWUAHAMRUXULRH-DGCLKSJQSA-N 1 1 321.381 -1.170 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425779564 927443239 /nfs/dbraw/zinc/44/32/39/927443239.db2.gz RGEFFOMHZFNACI-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001425783871 927445210 /nfs/dbraw/zinc/44/52/10/927445210.db2.gz ZBNRJLBBWJAXKO-LBPRGKRZSA-N 1 1 303.403 -1.596 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)cn1 ZINC001425785158 927445655 /nfs/dbraw/zinc/44/56/55/927445655.db2.gz NDSREKNIPSUHFZ-NEPJUHHUSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)cn1 ZINC001425785171 927446031 /nfs/dbraw/zinc/44/60/31/927446031.db2.gz NDSREKNIPSUHFZ-VXGBXAGGSA-N 1 1 323.397 -1.079 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001425790092 927447075 /nfs/dbraw/zinc/44/70/75/927447075.db2.gz CVGJBLQAKBENBP-CMPLNLGQSA-N 1 1 323.353 -1.662 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001425796595 927449612 /nfs/dbraw/zinc/44/96/12/927449612.db2.gz QZLMXFFWIZDLCH-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425794996 927451193 /nfs/dbraw/zinc/45/11/93/927451193.db2.gz HZJOTCGCMIKRHL-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001425797448 927452881 /nfs/dbraw/zinc/45/28/81/927452881.db2.gz MHYWJWJVVZQMRM-RYUDHWBXSA-N 1 1 300.403 -1.340 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001425797448 927452888 /nfs/dbraw/zinc/45/28/88/927452888.db2.gz MHYWJWJVVZQMRM-RYUDHWBXSA-N 1 1 300.403 -1.340 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425799210 927453060 /nfs/dbraw/zinc/45/30/60/927453060.db2.gz PMNWEKSINNZIIK-CMPLNLGQSA-N 1 1 309.370 -1.090 20 0 DAADMO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001425797436 927453283 /nfs/dbraw/zinc/45/32/83/927453283.db2.gz MHYWJWJVVZQMRM-NEPJUHHUSA-N 1 1 300.403 -1.340 20 0 DAADMO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001425797436 927453289 /nfs/dbraw/zinc/45/32/89/927453289.db2.gz MHYWJWJVVZQMRM-NEPJUHHUSA-N 1 1 300.403 -1.340 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccn(C)n1 ZINC001425798243 927453442 /nfs/dbraw/zinc/45/34/42/927453442.db2.gz NBUXABICHFWBDO-NEPJUHHUSA-N 1 1 323.397 -1.079 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001425807803 927454879 /nfs/dbraw/zinc/45/48/79/927454879.db2.gz AOQRQEOXSHYPBP-GHMZBOCLSA-N 1 1 309.370 -1.345 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001425822707 927462303 /nfs/dbraw/zinc/46/23/03/927462303.db2.gz PUVOMLYXKGPVIU-CYBMUJFWSA-N 1 1 314.430 -1.127 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cc2nc[nH]n2)cn1 ZINC001425822902 927463592 /nfs/dbraw/zinc/46/35/92/927463592.db2.gz AEPVHNKEVKGLQE-LLVKDONJSA-N 1 1 305.342 -1.287 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)ncn1 ZINC001425827672 927465384 /nfs/dbraw/zinc/46/53/84/927465384.db2.gz AGEWITXMTOTYMI-LBPRGKRZSA-N 1 1 305.342 -1.357 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001425826880 927466429 /nfs/dbraw/zinc/46/64/29/927466429.db2.gz CRQCWTLOQHCVNK-RYUDHWBXSA-N 1 1 300.403 -1.469 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425826880 927466433 /nfs/dbraw/zinc/46/64/33/927466433.db2.gz CRQCWTLOQHCVNK-RYUDHWBXSA-N 1 1 300.403 -1.469 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001425841119 927470023 /nfs/dbraw/zinc/47/00/23/927470023.db2.gz PKTUFNUAXBEQHM-RKDXNWHRSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841119 927470038 /nfs/dbraw/zinc/47/00/38/927470038.db2.gz PKTUFNUAXBEQHM-RKDXNWHRSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841119 927470050 /nfs/dbraw/zinc/47/00/50/927470050.db2.gz PKTUFNUAXBEQHM-RKDXNWHRSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O)C1 ZINC001425841114 927470175 /nfs/dbraw/zinc/47/01/75/927470175.db2.gz PKTUFNUAXBEQHM-IUCAKERBSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841114 927470187 /nfs/dbraw/zinc/47/01/87/927470187.db2.gz PKTUFNUAXBEQHM-IUCAKERBSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001425841114 927470196 /nfs/dbraw/zinc/47/01/96/927470196.db2.gz PKTUFNUAXBEQHM-IUCAKERBSA-N 1 1 301.347 -2.800 20 0 DAADMO Cn1cc(CC[NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001425838005 927470734 /nfs/dbraw/zinc/47/07/34/927470734.db2.gz XYUIOVKMMCYFLR-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001425840574 927470905 /nfs/dbraw/zinc/47/09/05/927470905.db2.gz MWWMHZWIOGRGKO-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001425840574 927470913 /nfs/dbraw/zinc/47/09/13/927470913.db2.gz MWWMHZWIOGRGKO-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@@H]1CCN(C)C1=O ZINC001425840574 927470919 /nfs/dbraw/zinc/47/09/19/927470919.db2.gz MWWMHZWIOGRGKO-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001425840572 927471485 /nfs/dbraw/zinc/47/14/85/927471485.db2.gz MWWMHZWIOGRGKO-NWDGAFQWSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001425840572 927471492 /nfs/dbraw/zinc/47/14/92/927471492.db2.gz MWWMHZWIOGRGKO-NWDGAFQWSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001425840572 927471502 /nfs/dbraw/zinc/47/15/02/927471502.db2.gz MWWMHZWIOGRGKO-NWDGAFQWSA-N 1 1 300.403 -1.376 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CCC(=O)N1 ZINC001425845756 927472773 /nfs/dbraw/zinc/47/27/73/927472773.db2.gz VVGUTCMPRQMCAD-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843102 927473036 /nfs/dbraw/zinc/47/30/36/927473036.db2.gz ZMPUVLSWHDTPLP-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001425843102 927473042 /nfs/dbraw/zinc/47/30/42/927473042.db2.gz ZMPUVLSWHDTPLP-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001425848979 927475874 /nfs/dbraw/zinc/47/58/74/927475874.db2.gz GLYZCYXZUQFMDJ-SECBINFHSA-N 1 1 319.387 -2.464 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001425853107 927478762 /nfs/dbraw/zinc/47/87/62/927478762.db2.gz MUYXMOPQIHKOGD-JTQLQIEISA-N 1 1 320.353 -1.272 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001425856286 927479717 /nfs/dbraw/zinc/47/97/17/927479717.db2.gz MYZMBFPZUDKNKM-NSHDSACASA-N 1 1 323.353 -1.099 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001425865168 927480568 /nfs/dbraw/zinc/48/05/68/927480568.db2.gz OYDVPZOKXLFYKT-JTQLQIEISA-N 1 1 322.325 -1.176 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1nnc[nH]1 ZINC001425867087 927483496 /nfs/dbraw/zinc/48/34/96/927483496.db2.gz PGXJAKAVAOBNKQ-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867087 927483507 /nfs/dbraw/zinc/48/35/07/927483507.db2.gz PGXJAKAVAOBNKQ-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867087 927483519 /nfs/dbraw/zinc/48/35/19/927483519.db2.gz PGXJAKAVAOBNKQ-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001425912505 927488826 /nfs/dbraw/zinc/48/88/26/927488826.db2.gz PPRGYPOIJUFBOJ-OUCADQQQSA-N 1 1 324.385 -1.206 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 ZINC001425900088 927488840 /nfs/dbraw/zinc/48/88/40/927488840.db2.gz IENUAGPDXIXLIT-YGRLFVJLSA-N 1 1 311.386 -1.096 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)c1cn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001425900922 927489182 /nfs/dbraw/zinc/48/91/82/927489182.db2.gz XEWPGMRZLAWXSH-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 ZINC001425900047 927489237 /nfs/dbraw/zinc/48/92/37/927489237.db2.gz IENUAGPDXIXLIT-HZMBPMFUSA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCNC(N)=O ZINC001425929541 927491019 /nfs/dbraw/zinc/49/10/19/927491019.db2.gz ZVTCATZJIAMFJG-DTWKUNHWSA-N 1 1 310.362 -1.653 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001425973815 927492482 /nfs/dbraw/zinc/49/24/82/927492482.db2.gz QHTMPFIUBVSHKM-NSHDSACASA-N 1 1 323.357 -1.031 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001425961928 927492527 /nfs/dbraw/zinc/49/25/27/927492527.db2.gz PNQYTUFJKXBSHK-DTWKUNHWSA-N 1 1 324.389 -1.407 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccnn1C ZINC001425982410 927493693 /nfs/dbraw/zinc/49/36/93/927493693.db2.gz OGXBUXQSMHIJIC-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnns1 ZINC001425980082 927493948 /nfs/dbraw/zinc/49/39/48/927493948.db2.gz RHLJXNIFFVKHLK-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001425981510 927495540 /nfs/dbraw/zinc/49/55/40/927495540.db2.gz LNNQJCUNNXYOPD-SECBINFHSA-N 1 1 315.399 -1.027 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CCc1nnc[nH]1 ZINC001425988081 927496346 /nfs/dbraw/zinc/49/63/46/927496346.db2.gz PRBVWIAJWCVKJH-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001425991470 927496474 /nfs/dbraw/zinc/49/64/74/927496474.db2.gz VOYHUCDXFQOABZ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccc(=O)[nH]n1 ZINC001425989549 927496935 /nfs/dbraw/zinc/49/69/35/927496935.db2.gz ZTTZTAKIMBGJLA-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cncnc1)c1nnnn1C ZINC001425995773 927497177 /nfs/dbraw/zinc/49/71/77/927497177.db2.gz GUTJPYQZTXIOLY-ONGXEEELSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cncnc1 ZINC001425995028 927497206 /nfs/dbraw/zinc/49/72/06/927497206.db2.gz GBIJZADMLUVUEN-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cncnc1)c1nnnn1C ZINC001425995759 927497429 /nfs/dbraw/zinc/49/74/29/927497429.db2.gz GUTJPYQZTXIOLY-GXSJLCMTSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cn(C)cn1 ZINC001425985006 927497477 /nfs/dbraw/zinc/49/74/77/927497477.db2.gz GZKKLPYZWHTJLH-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1COC(=O)C1 ZINC001425988954 927497671 /nfs/dbraw/zinc/49/76/71/927497671.db2.gz UECATTXFWYNKQO-ONGXEEELSA-N 1 1 312.326 -1.068 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)c1ncn(C)n1 ZINC001425995934 927497949 /nfs/dbraw/zinc/49/79/49/927497949.db2.gz BGYXKCZAZNNJNT-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cncnc1 ZINC001426007082 927498603 /nfs/dbraw/zinc/49/86/03/927498603.db2.gz UTBDVHVVZBXRQH-LBPRGKRZSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1CCNC1=O ZINC001426002167 927501001 /nfs/dbraw/zinc/50/10/01/927501001.db2.gz IYQBRTFFRQJDHB-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001426020712 927504994 /nfs/dbraw/zinc/50/49/94/927504994.db2.gz DAEWOSBEIQNAMB-HZMBPMFUSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001426013614 927505239 /nfs/dbraw/zinc/50/52/39/927505239.db2.gz HKJHTJOZOQIESE-GMTAPVOTSA-N 1 1 309.370 -1.332 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426025993 927508388 /nfs/dbraw/zinc/50/83/88/927508388.db2.gz YAWFIHVDTFKXHU-SNVBAGLBSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccncn1 ZINC001426021425 927508787 /nfs/dbraw/zinc/50/87/87/927508787.db2.gz DPEJUPYGGFBJCY-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426034011 927511457 /nfs/dbraw/zinc/51/14/57/927511457.db2.gz XNQZYBGNFYOFOC-WPRPVWTQSA-N 1 1 312.330 -2.032 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1nnc[nH]1 ZINC001426027674 927511481 /nfs/dbraw/zinc/51/14/81/927511481.db2.gz CKFIQFGYJSJEPE-JTQLQIEISA-N 1 1 308.346 -1.915 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001426034006 927512657 /nfs/dbraw/zinc/51/26/57/927512657.db2.gz XNQZYBGNFYOFOC-WCBMZHEXSA-N 1 1 312.330 -2.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001426030463 927512869 /nfs/dbraw/zinc/51/28/69/927512869.db2.gz LADUFFZBUCTWNK-MNOVXSKESA-N 1 1 307.354 -1.336 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1cncn1 ZINC001426042162 927514731 /nfs/dbraw/zinc/51/47/31/927514731.db2.gz VEJJNXOLRQEWIK-LLVKDONJSA-N 1 1 308.346 -1.984 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426034521 927515064 /nfs/dbraw/zinc/51/50/64/927515064.db2.gz OQTXPPDIHBVRRH-LLVKDONJSA-N 1 1 323.357 -1.342 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001426055935 927516591 /nfs/dbraw/zinc/51/65/91/927516591.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 1 1 316.402 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001426055935 927516604 /nfs/dbraw/zinc/51/66/04/927516604.db2.gz IWEKUQKGOPNBNA-NEPJUHHUSA-N 1 1 316.402 -2.186 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCOCC1)C(=O)C(F)F ZINC001426057887 927516883 /nfs/dbraw/zinc/51/68/83/927516883.db2.gz DAOISCKNXTYMOX-SNVBAGLBSA-N 1 1 323.340 -1.139 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCOCC1)C(=O)C(F)F ZINC001426057887 927516899 /nfs/dbraw/zinc/51/68/99/927516899.db2.gz DAOISCKNXTYMOX-SNVBAGLBSA-N 1 1 323.340 -1.139 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001426057741 927517564 /nfs/dbraw/zinc/51/75/64/927517564.db2.gz MWWGZXGYVLLZQF-VXGBXAGGSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057741 927517576 /nfs/dbraw/zinc/51/75/76/927517576.db2.gz MWWGZXGYVLLZQF-VXGBXAGGSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057741 927517590 /nfs/dbraw/zinc/51/75/90/927517590.db2.gz MWWGZXGYVLLZQF-VXGBXAGGSA-N 1 1 311.386 -1.033 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC001426056473 927518124 /nfs/dbraw/zinc/51/81/24/927518124.db2.gz PBDNYZPXJDALIJ-LBPRGKRZSA-N 1 1 317.386 -1.757 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC001426056473 927518130 /nfs/dbraw/zinc/51/81/30/927518130.db2.gz PBDNYZPXJDALIJ-LBPRGKRZSA-N 1 1 317.386 -1.757 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCOCC1)C(=O)C(F)F ZINC001426057883 927518349 /nfs/dbraw/zinc/51/83/49/927518349.db2.gz DAOISCKNXTYMOX-JTQLQIEISA-N 1 1 323.340 -1.139 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCOCC1)C(=O)C(F)F ZINC001426057883 927518357 /nfs/dbraw/zinc/51/83/57/927518357.db2.gz DAOISCKNXTYMOX-JTQLQIEISA-N 1 1 323.340 -1.139 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNCc1ncnn1C ZINC001426051211 927518602 /nfs/dbraw/zinc/51/86/02/927518602.db2.gz ISKFEKHFYQECOD-LBPRGKRZSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001426068536 927519660 /nfs/dbraw/zinc/51/96/60/927519660.db2.gz SFDLMDVCKRXDIJ-WDEREUQCSA-N 1 1 322.369 -1.130 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001426064329 927519983 /nfs/dbraw/zinc/51/99/83/927519983.db2.gz VEFWUILUKDQTSG-LLVKDONJSA-N 1 1 302.375 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001426064329 927519992 /nfs/dbraw/zinc/51/99/92/927519992.db2.gz VEFWUILUKDQTSG-LLVKDONJSA-N 1 1 302.375 -2.038 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cccn2nnnc12 ZINC001426062254 927520602 /nfs/dbraw/zinc/52/06/02/927520602.db2.gz CPIVGKINOIMMQB-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058946 927520796 /nfs/dbraw/zinc/52/07/96/927520796.db2.gz IEIGZZQDCSWQIN-RKDXNWHRSA-N 1 1 312.374 -1.759 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058946 927520803 /nfs/dbraw/zinc/52/08/03/927520803.db2.gz IEIGZZQDCSWQIN-RKDXNWHRSA-N 1 1 312.374 -1.759 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001426058684 927521205 /nfs/dbraw/zinc/52/12/05/927521205.db2.gz HSRAKFDGVPCUFU-GFCCVEGCSA-N 1 1 314.386 -1.894 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001426058684 927521207 /nfs/dbraw/zinc/52/12/07/927521207.db2.gz HSRAKFDGVPCUFU-GFCCVEGCSA-N 1 1 314.386 -1.894 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001426063288 927522343 /nfs/dbraw/zinc/52/23/43/927522343.db2.gz YPIJVIGKKQGOAC-OLZOCXBDSA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001426063294 927522563 /nfs/dbraw/zinc/52/25/63/927522563.db2.gz YPIJVIGKKQGOAC-QWHCGFSZSA-N 1 1 303.403 -1.550 20 0 DAADMO CC(C)[C@@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077304 927524278 /nfs/dbraw/zinc/52/42/78/927524278.db2.gz BALHCGNDAMCMFC-MWLCHTKSSA-N 1 1 320.365 -1.074 20 0 DAADMO CC(C)[C@@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077304 927524286 /nfs/dbraw/zinc/52/42/86/927524286.db2.gz BALHCGNDAMCMFC-MWLCHTKSSA-N 1 1 320.365 -1.074 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426073411 927524516 /nfs/dbraw/zinc/52/45/16/927524516.db2.gz CQCXOCBETLETLH-MNOVXSKESA-N 1 1 300.363 -1.541 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426073417 927525399 /nfs/dbraw/zinc/52/53/99/927525399.db2.gz CQCXOCBETLETLH-QWRGUYRKSA-N 1 1 300.363 -1.541 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077885 927525891 /nfs/dbraw/zinc/52/58/91/927525891.db2.gz DRNZTUFYSHJUDH-KXUCPTDWSA-N 1 1 300.359 -1.412 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077885 927525915 /nfs/dbraw/zinc/52/59/15/927525915.db2.gz DRNZTUFYSHJUDH-KXUCPTDWSA-N 1 1 300.359 -1.412 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001426070198 927526321 /nfs/dbraw/zinc/52/63/21/927526321.db2.gz HUOJLVVFKXPIKY-RYUDHWBXSA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)CC1CS(=O)(=O)C1 ZINC001426070520 927526344 /nfs/dbraw/zinc/52/63/44/927526344.db2.gz YMKFYXWMIRBBQP-LBPRGKRZSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CC1CS(=O)(=O)C1 ZINC001426070520 927526351 /nfs/dbraw/zinc/52/63/51/927526351.db2.gz YMKFYXWMIRBBQP-LBPRGKRZSA-N 1 1 322.427 -1.445 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001426082965 927527024 /nfs/dbraw/zinc/52/70/24/927527024.db2.gz AQQCJQZFYYHEAR-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001426082965 927527038 /nfs/dbraw/zinc/52/70/38/927527038.db2.gz AQQCJQZFYYHEAR-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001426082920 927527294 /nfs/dbraw/zinc/52/72/94/927527294.db2.gz YMHOIDRDQJOFJA-QWRGUYRKSA-N 1 1 300.359 -1.218 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086607 927528178 /nfs/dbraw/zinc/52/81/78/927528178.db2.gz NQSYIGZWVREDKS-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086607 927528186 /nfs/dbraw/zinc/52/81/86/927528186.db2.gz NQSYIGZWVREDKS-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001426089257 927528306 /nfs/dbraw/zinc/52/83/06/927528306.db2.gz RYRONRSWJPQICV-LLVKDONJSA-N 1 1 316.402 -1.602 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001426089257 927528311 /nfs/dbraw/zinc/52/83/11/927528311.db2.gz RYRONRSWJPQICV-LLVKDONJSA-N 1 1 316.402 -1.602 20 0 DAADMO Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001426089425 927528518 /nfs/dbraw/zinc/52/85/18/927528518.db2.gz DFNDPACVGHSMEX-LBPRGKRZSA-N 1 1 311.386 -1.264 20 0 DAADMO Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001426089425 927528525 /nfs/dbraw/zinc/52/85/25/927528525.db2.gz DFNDPACVGHSMEX-LBPRGKRZSA-N 1 1 311.386 -1.264 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001426082420 927529180 /nfs/dbraw/zinc/52/91/80/927529180.db2.gz VVPNOGYRDUDYLI-GHMZBOCLSA-N 1 1 302.375 -1.593 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001426090730 927529437 /nfs/dbraw/zinc/52/94/37/927529437.db2.gz UHIRJCZBELDKQV-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001426090730 927529445 /nfs/dbraw/zinc/52/94/45/927529445.db2.gz UHIRJCZBELDKQV-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426092261 927531267 /nfs/dbraw/zinc/53/12/67/927531267.db2.gz AXLGHJMXMQWFQG-NSHDSACASA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426092261 927531277 /nfs/dbraw/zinc/53/12/77/927531277.db2.gz AXLGHJMXMQWFQG-NSHDSACASA-N 1 1 324.381 -1.504 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001426093080 927531614 /nfs/dbraw/zinc/53/16/14/927531614.db2.gz XYLDMISYAIJOCA-JTQLQIEISA-N 1 1 313.358 -1.169 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001426093080 927531623 /nfs/dbraw/zinc/53/16/23/927531623.db2.gz XYLDMISYAIJOCA-JTQLQIEISA-N 1 1 313.358 -1.169 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001426101745 927531735 /nfs/dbraw/zinc/53/17/35/927531735.db2.gz OFGNGYNKIOXEIW-QWRGUYRKSA-N 1 1 312.370 -1.254 20 0 DAADMO CCCN1C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC1=O ZINC001426100357 927531798 /nfs/dbraw/zinc/53/17/98/927531798.db2.gz LKKQMFSBCSLFBE-OLZOCXBDSA-N 1 1 315.414 -1.012 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001426104519 927532748 /nfs/dbraw/zinc/53/27/48/927532748.db2.gz UMYKDRPREAHRLA-SECBINFHSA-N 1 1 303.363 -2.458 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001426104519 927532758 /nfs/dbraw/zinc/53/27/58/927532758.db2.gz UMYKDRPREAHRLA-SECBINFHSA-N 1 1 303.363 -2.458 20 0 DAADMO CC(C)N(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1nc[nH]n1 ZINC001426114096 927532783 /nfs/dbraw/zinc/53/27/83/927532783.db2.gz OCGAYMTWNHBNRT-UHFFFAOYSA-N 1 1 311.346 -1.218 20 0 DAADMO CC(C)N(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1nc[nH]n1 ZINC001426114096 927532790 /nfs/dbraw/zinc/53/27/90/927532790.db2.gz OCGAYMTWNHBNRT-UHFFFAOYSA-N 1 1 311.346 -1.218 20 0 DAADMO COCC[N@H+](CCNC(C)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC001426157114 927533392 /nfs/dbraw/zinc/53/33/92/927533392.db2.gz CPZBSCHBWLLRCV-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO COCC[N@@H+](CCNC(C)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC001426157114 927533403 /nfs/dbraw/zinc/53/34/03/927533403.db2.gz CPZBSCHBWLLRCV-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@H](C)O ZINC001426157998 927534167 /nfs/dbraw/zinc/53/41/67/927534167.db2.gz XKUDAYFEPAQGSD-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCNC1=O ZINC001426164667 927534890 /nfs/dbraw/zinc/53/48/90/927534890.db2.gz LGHOKQCBSNVSBO-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCNC1=O ZINC001426164667 927534898 /nfs/dbraw/zinc/53/48/98/927534898.db2.gz LGHOKQCBSNVSBO-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@H](C)O ZINC001426166821 927535004 /nfs/dbraw/zinc/53/50/04/927535004.db2.gz XLOCVBSINHSSJF-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCNC1=O ZINC001426169372 927535191 /nfs/dbraw/zinc/53/51/91/927535191.db2.gz QDNLRKVODZAJER-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@H]1CCNC1=O ZINC001426169372 927535198 /nfs/dbraw/zinc/53/51/98/927535198.db2.gz QDNLRKVODZAJER-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001426538235 927552440 /nfs/dbraw/zinc/55/24/40/927552440.db2.gz IARAMYJTUIULHV-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1O ZINC001426538605 927554836 /nfs/dbraw/zinc/55/48/36/927554836.db2.gz IMEBIGBZARJVAQ-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O ZINC001426538605 927554840 /nfs/dbraw/zinc/55/48/40/927554840.db2.gz IMEBIGBZARJVAQ-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O ZINC001426538605 927554844 /nfs/dbraw/zinc/55/48/44/927554844.db2.gz IMEBIGBZARJVAQ-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618785 927557882 /nfs/dbraw/zinc/55/78/82/927557882.db2.gz SXSVZJMSMPSGCS-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618785 927557889 /nfs/dbraw/zinc/55/78/89/927557889.db2.gz SXSVZJMSMPSGCS-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426598477 927559091 /nfs/dbraw/zinc/55/90/91/927559091.db2.gz DBXUSBGJOQJKNT-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426631008 927561292 /nfs/dbraw/zinc/56/12/92/927561292.db2.gz UCYFDZXJMNYZHS-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426631008 927561308 /nfs/dbraw/zinc/56/13/08/927561308.db2.gz UCYFDZXJMNYZHS-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001426644988 927564566 /nfs/dbraw/zinc/56/45/66/927564566.db2.gz FYTZWVMHHSREBQ-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001426685966 927573541 /nfs/dbraw/zinc/57/35/41/927573541.db2.gz MXFRAJVSFKKPFJ-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001426853835 927581782 /nfs/dbraw/zinc/58/17/82/927581782.db2.gz ZTFFAJPTKYJNEC-GARJFASQSA-N 1 1 311.386 -1.383 20 0 DAADMO O=C(C[NH+]1CCCC1)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001426871272 927583372 /nfs/dbraw/zinc/58/33/72/927583372.db2.gz BIDLVLHUHQPWTP-UHFFFAOYSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1(CO)COC1 ZINC001426878708 927586783 /nfs/dbraw/zinc/58/67/83/927586783.db2.gz HAXGCIFKKBDXNC-LBPRGKRZSA-N 1 1 300.403 -1.070 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001426907449 927588733 /nfs/dbraw/zinc/58/87/33/927588733.db2.gz JQQPBNCWEOSDKU-VXGBXAGGSA-N 1 1 311.390 -1.816 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1(S(N)(=O)=O)CC1 ZINC001426905808 927589139 /nfs/dbraw/zinc/58/91/39/927589139.db2.gz FIRFENPGQQDCLU-JTQLQIEISA-N 1 1 319.431 -1.648 20 0 DAADMO C[C@H](NC(=O)NC[C@@H](O)Cn1ccnn1)[C@H]1C[N@H+](C)CCO1 ZINC001427123558 927596928 /nfs/dbraw/zinc/59/69/28/927596928.db2.gz GRUHGKPAXVYFHN-QJPTWQEYSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@@H](O)Cn1ccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC001427123558 927596931 /nfs/dbraw/zinc/59/69/31/927596931.db2.gz GRUHGKPAXVYFHN-QJPTWQEYSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@H]1C[N@H+](C)CCO1 ZINC001427122107 927597082 /nfs/dbraw/zinc/59/70/82/927597082.db2.gz BFERODXDKZUGPO-ATZCPNFKSA-N 1 1 313.358 -1.365 20 0 DAADMO C[C@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@H]1C[N@@H+](C)CCO1 ZINC001427122107 927597086 /nfs/dbraw/zinc/59/70/86/927597086.db2.gz BFERODXDKZUGPO-ATZCPNFKSA-N 1 1 313.358 -1.365 20 0 DAADMO C[C@H](NC(=O)NC[C@H](O)Cn1ccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC001427123560 927597736 /nfs/dbraw/zinc/59/77/36/927597736.db2.gz GRUHGKPAXVYFHN-SRVKXCTJSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@H](O)Cn1ccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001427123560 927597740 /nfs/dbraw/zinc/59/77/40/927597740.db2.gz GRUHGKPAXVYFHN-SRVKXCTJSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@@H]1C[N@H+](C)CCO1 ZINC001427122109 927597867 /nfs/dbraw/zinc/59/78/67/927597867.db2.gz BFERODXDKZUGPO-NGZCFLSTSA-N 1 1 313.358 -1.365 20 0 DAADMO C[C@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@@H]1C[N@@H+](C)CCO1 ZINC001427122109 927597875 /nfs/dbraw/zinc/59/78/75/927597875.db2.gz BFERODXDKZUGPO-NGZCFLSTSA-N 1 1 313.358 -1.365 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001427159863 927598820 /nfs/dbraw/zinc/59/88/20/927598820.db2.gz ALDNKAHZCAJSNV-XDQVBPFNSA-N 1 1 322.409 -1.105 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001427281554 927603234 /nfs/dbraw/zinc/60/32/34/927603234.db2.gz YURFEULUODDCDT-DCAQKATOSA-N 1 1 311.386 -1.383 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001427590982 927620145 /nfs/dbraw/zinc/62/01/45/927620145.db2.gz RRAUQSANVICWHU-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001427650900 927622112 /nfs/dbraw/zinc/62/21/12/927622112.db2.gz VAXAXIASSLKXPV-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001427672242 927625092 /nfs/dbraw/zinc/62/50/92/927625092.db2.gz GLYGHYHHQXDMFU-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001427725546 927629726 /nfs/dbraw/zinc/62/97/26/927629726.db2.gz AEGMDAFSYYFXIR-LLVKDONJSA-N 1 1 303.359 -2.052 20 0 DAADMO CCC(=O)NC[C@@H](CO)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001427726269 927630646 /nfs/dbraw/zinc/63/06/46/927630646.db2.gz DPPNHRAFEQMFSC-RYUDHWBXSA-N 1 1 311.386 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739523 927639200 /nfs/dbraw/zinc/63/92/00/927639200.db2.gz RADSLRJSUFJABC-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739523 927639211 /nfs/dbraw/zinc/63/92/11/927639211.db2.gz RADSLRJSUFJABC-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001427745860 927641388 /nfs/dbraw/zinc/64/13/88/927641388.db2.gz PDOBPAMLRUAVPW-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001427745860 927641408 /nfs/dbraw/zinc/64/14/08/927641408.db2.gz PDOBPAMLRUAVPW-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCn2cccn2)C1 ZINC001427754732 927645294 /nfs/dbraw/zinc/64/52/94/927645294.db2.gz HIYMUUAWUMUQJN-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cccn2)C1 ZINC001427754727 927645491 /nfs/dbraw/zinc/64/54/91/927645491.db2.gz HIYMUUAWUMUQJN-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCn2cccn2)C1 ZINC001427754723 927645551 /nfs/dbraw/zinc/64/55/51/927645551.db2.gz HIYMUUAWUMUQJN-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCn2cccn2)C1 ZINC001427754719 927646641 /nfs/dbraw/zinc/64/66/41/927646641.db2.gz HIYMUUAWUMUQJN-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427771056 927654788 /nfs/dbraw/zinc/65/47/88/927654788.db2.gz GASLXIDOUIICON-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427771044 927655552 /nfs/dbraw/zinc/65/55/52/927655552.db2.gz GASLXIDOUIICON-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001427773523 927657006 /nfs/dbraw/zinc/65/70/06/927657006.db2.gz DXBKXOWLRDLJMK-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001427775379 927658278 /nfs/dbraw/zinc/65/82/78/927658278.db2.gz HHFPDIMKEYJDLS-PWSUYJOCSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001427775390 927659126 /nfs/dbraw/zinc/65/91/26/927659126.db2.gz HHFPDIMKEYJDLS-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782347 927660495 /nfs/dbraw/zinc/66/04/95/927660495.db2.gz UYEAJKNNRZADDF-MNOVXSKESA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782347 927660508 /nfs/dbraw/zinc/66/05/08/927660508.db2.gz UYEAJKNNRZADDF-MNOVXSKESA-N 1 1 317.361 -1.340 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001427780779 927660744 /nfs/dbraw/zinc/66/07/44/927660744.db2.gz NCJRKHAQYHGOMS-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783386 927663162 /nfs/dbraw/zinc/66/31/62/927663162.db2.gz YANZGKOUWBDBCO-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783386 927663170 /nfs/dbraw/zinc/66/31/70/927663170.db2.gz YANZGKOUWBDBCO-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001427789015 927664811 /nfs/dbraw/zinc/66/48/11/927664811.db2.gz SWISSBFGEOYDSG-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001427786146 927665452 /nfs/dbraw/zinc/66/54/52/927665452.db2.gz CAORGTAMZMBQGT-GXSJLCMTSA-N 1 1 324.385 -1.697 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001427787148 927665993 /nfs/dbraw/zinc/66/59/93/927665993.db2.gz RHJQBTPBCXMYKX-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001427798099 927670224 /nfs/dbraw/zinc/67/02/24/927670224.db2.gz OXRLMOPYZJFOSC-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001427797355 927670983 /nfs/dbraw/zinc/67/09/83/927670983.db2.gz MQOSNMSPTGSUFP-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001427798564 927672608 /nfs/dbraw/zinc/67/26/08/927672608.db2.gz QEGOQDKIDZEJQE-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001427800878 927672959 /nfs/dbraw/zinc/67/29/59/927672959.db2.gz ZKNMLXPZXBDYPE-QJPTWQEYSA-N 1 1 301.387 -1.309 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001427820532 927679797 /nfs/dbraw/zinc/67/97/97/927679797.db2.gz DIFJPYQUBLXQDL-VXGBXAGGSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001427821964 927681529 /nfs/dbraw/zinc/68/15/29/927681529.db2.gz GDRMSESJGXCRKF-RYUDHWBXSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cn2ncnn2)C1 ZINC001427824442 927682202 /nfs/dbraw/zinc/68/22/02/927682202.db2.gz OJPLQEZYYIDLBR-NXEZZACHSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCn2cccn2)C1 ZINC001427829015 927684164 /nfs/dbraw/zinc/68/41/64/927684164.db2.gz PBZCXNMXACLVOQ-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427834987 927685826 /nfs/dbraw/zinc/68/58/26/927685826.db2.gz YFUUOYPFVOCTPE-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427834993 927686749 /nfs/dbraw/zinc/68/67/49/927686749.db2.gz YFUUOYPFVOCTPE-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cn[nH]n2)C1 ZINC001427833417 927687280 /nfs/dbraw/zinc/68/72/80/927687280.db2.gz VCQODQPCRDJNOI-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833417 927687289 /nfs/dbraw/zinc/68/72/89/927687289.db2.gz VCQODQPCRDJNOI-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2c[nH]nn2)C1 ZINC001427833417 927687295 /nfs/dbraw/zinc/68/72/95/927687295.db2.gz VCQODQPCRDJNOI-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833417 927687305 /nfs/dbraw/zinc/68/73/05/927687305.db2.gz VCQODQPCRDJNOI-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cnn[nH]2)C1 ZINC001427833417 927687321 /nfs/dbraw/zinc/68/73/21/927687321.db2.gz VCQODQPCRDJNOI-CMPLNLGQSA-N 1 1 324.385 -1.718 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCc2nnnn2CC1 ZINC001427846901 927689032 /nfs/dbraw/zinc/68/90/32/927689032.db2.gz QVRPWHJBMQNZCH-MNOVXSKESA-N 1 1 309.374 -1.256 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001427872063 927697232 /nfs/dbraw/zinc/69/72/32/927697232.db2.gz ZRUAHZOIVYYEQO-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001427903019 927703917 /nfs/dbraw/zinc/70/39/17/927703917.db2.gz XCNGDICRYXKICV-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427910612 927704108 /nfs/dbraw/zinc/70/41/08/927704108.db2.gz PTKRUXLCBGXKPU-RYUDHWBXSA-N 1 1 323.397 -1.194 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2nccn2)C1 ZINC001427903030 927704405 /nfs/dbraw/zinc/70/44/05/927704405.db2.gz XCNGDICRYXKICV-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2cnon2)C1 ZINC001427927191 927711910 /nfs/dbraw/zinc/71/19/10/927711910.db2.gz WBCPLFMBOIYLEN-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001427933838 927712816 /nfs/dbraw/zinc/71/28/16/927712816.db2.gz FUDYGSBBIZLWFF-QWRGUYRKSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cn(C)cn2)C1 ZINC001427969644 927721633 /nfs/dbraw/zinc/72/16/33/927721633.db2.gz KYNCNYSGCWWZQA-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001427968755 927722194 /nfs/dbraw/zinc/72/21/94/927722194.db2.gz FKZAQUNEUUNJPC-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001427968764 927723396 /nfs/dbraw/zinc/72/33/96/927723396.db2.gz FKZAQUNEUUNJPC-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001427968769 927723741 /nfs/dbraw/zinc/72/37/41/927723741.db2.gz FKZAQUNEUUNJPC-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1nonc1C ZINC001427975963 927725534 /nfs/dbraw/zinc/72/55/34/927725534.db2.gz XNZQJBRKRDPDLZ-SNVBAGLBSA-N 1 1 313.358 -1.073 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccnn1C ZINC001428168844 927744897 /nfs/dbraw/zinc/74/48/97/927744897.db2.gz GDXIYWNSADQLAU-RYUDHWBXSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(F)F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428179371 927747615 /nfs/dbraw/zinc/74/76/15/927747615.db2.gz WOPYNZBZKIAWNP-IUCAKERBSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(F)F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428179371 927747624 /nfs/dbraw/zinc/74/76/24/927747624.db2.gz WOPYNZBZKIAWNP-IUCAKERBSA-N 1 1 309.313 -1.482 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001428182640 927750136 /nfs/dbraw/zinc/75/01/36/927750136.db2.gz TTXPOBYBZLCNPH-GMTAPVOTSA-N 1 1 317.411 -1.254 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001428207270 927753562 /nfs/dbraw/zinc/75/35/62/927753562.db2.gz LSROWNAAPOYXJS-DCAQKATOSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001428207273 927753879 /nfs/dbraw/zinc/75/38/79/927753879.db2.gz LSROWNAAPOYXJS-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cncnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428204557 927755039 /nfs/dbraw/zinc/75/50/39/927755039.db2.gz PPBNYFMGCRABBI-AAEUAGOBSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ncn(C)n1 ZINC001428209119 927756432 /nfs/dbraw/zinc/75/64/32/927756432.db2.gz VAOYCAJNGKPPMA-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001428209098 927757149 /nfs/dbraw/zinc/75/71/49/927757149.db2.gz GPAONFHWWCJFQW-DCAQKATOSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ncn(C)n1 ZINC001428209124 927757523 /nfs/dbraw/zinc/75/75/23/927757523.db2.gz VAOYCAJNGKPPMA-WDEREUQCSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428217897 927759255 /nfs/dbraw/zinc/75/92/55/927759255.db2.gz VEQZGNKLVNEFKM-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC001428217897 927759263 /nfs/dbraw/zinc/75/92/63/927759263.db2.gz VEQZGNKLVNEFKM-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428217897 927759269 /nfs/dbraw/zinc/75/92/69/927759269.db2.gz VEQZGNKLVNEFKM-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221404 927759954 /nfs/dbraw/zinc/75/99/54/927759954.db2.gz UVASOZUOEUXWCJ-CHWSQXEVSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc[nH]c1 ZINC001428221404 927759969 /nfs/dbraw/zinc/75/99/69/927759969.db2.gz UVASOZUOEUXWCJ-CHWSQXEVSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218180 927760033 /nfs/dbraw/zinc/76/00/33/927760033.db2.gz WONNVWZYEFSRFC-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC001428218180 927760040 /nfs/dbraw/zinc/76/00/40/927760040.db2.gz WONNVWZYEFSRFC-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218180 927760046 /nfs/dbraw/zinc/76/00/46/927760046.db2.gz WONNVWZYEFSRFC-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[N@H+](C)C1CCC1 ZINC001428218180 927760052 /nfs/dbraw/zinc/76/00/52/927760052.db2.gz WONNVWZYEFSRFC-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218180 927760059 /nfs/dbraw/zinc/76/00/59/927760059.db2.gz WONNVWZYEFSRFC-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)c1nc[nH]n1 ZINC001428238558 927761842 /nfs/dbraw/zinc/76/18/42/927761842.db2.gz UGPNZRVTDXJFTC-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccncn1 ZINC001428240520 927763754 /nfs/dbraw/zinc/76/37/54/927763754.db2.gz LCKSLKGWGGBJGO-NWDGAFQWSA-N 1 1 321.381 -1.023 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001428252662 927765685 /nfs/dbraw/zinc/76/56/85/927765685.db2.gz HMHUOJLLAKHQJQ-GRYCIOLGSA-N 1 1 312.370 -1.784 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001428252662 927765693 /nfs/dbraw/zinc/76/56/93/927765693.db2.gz HMHUOJLLAKHQJQ-GRYCIOLGSA-N 1 1 312.370 -1.784 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428265482 927767890 /nfs/dbraw/zinc/76/78/90/927767890.db2.gz ASAIZFKFGNEWJG-NEPJUHHUSA-N 1 1 317.386 -1.759 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428265482 927767895 /nfs/dbraw/zinc/76/78/95/927767895.db2.gz ASAIZFKFGNEWJG-NEPJUHHUSA-N 1 1 317.386 -1.759 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428265490 927769013 /nfs/dbraw/zinc/76/90/13/927769013.db2.gz ASAIZFKFGNEWJG-RYUDHWBXSA-N 1 1 317.386 -1.759 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428265490 927769020 /nfs/dbraw/zinc/76/90/20/927769020.db2.gz ASAIZFKFGNEWJG-RYUDHWBXSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)Cc1ncn[nH]1 ZINC001428274227 927770643 /nfs/dbraw/zinc/77/06/43/927770643.db2.gz RJWVFJJCMBJQEK-SNVBAGLBSA-N 1 1 312.374 -1.766 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001428390473 927775051 /nfs/dbraw/zinc/77/50/51/927775051.db2.gz SRLWJLXUVWLDCV-ZJUUUORDSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CCN1C ZINC001428390473 927775045 /nfs/dbraw/zinc/77/50/45/927775045.db2.gz SRLWJLXUVWLDCV-ZJUUUORDSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001428390473 927775056 /nfs/dbraw/zinc/77/50/56/927775056.db2.gz SRLWJLXUVWLDCV-ZJUUUORDSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001428456644 927780079 /nfs/dbraw/zinc/78/00/79/927780079.db2.gz XMGAJTIQOQHCQE-PREPNJAASA-N 1 1 323.397 -1.290 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21)C1CCC1 ZINC001428441802 927781384 /nfs/dbraw/zinc/78/13/84/927781384.db2.gz XJWNUGDGTDWHCE-YABSGUDNSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428499269 927783089 /nfs/dbraw/zinc/78/30/89/927783089.db2.gz LZDMQNKZDUAZAS-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428499269 927783097 /nfs/dbraw/zinc/78/30/97/927783097.db2.gz LZDMQNKZDUAZAS-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001428568328 927787573 /nfs/dbraw/zinc/78/75/73/927787573.db2.gz IBJFWHPVSLBBGY-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001428568328 927787584 /nfs/dbraw/zinc/78/75/84/927787584.db2.gz IBJFWHPVSLBBGY-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)CN1CN=NC1=O ZINC001428624920 927789743 /nfs/dbraw/zinc/78/97/43/927789743.db2.gz BRRQOZXHJSOYNH-VIFPVBQESA-N 1 1 321.341 -1.190 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(=O)n(C)n1 ZINC001428628687 927789891 /nfs/dbraw/zinc/78/98/91/927789891.db2.gz CBLBXVPHYIMXHJ-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001428635000 927792164 /nfs/dbraw/zinc/79/21/64/927792164.db2.gz WEWYALNTEFFOPW-SNVBAGLBSA-N 1 1 319.427 -1.008 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001428634996 927792947 /nfs/dbraw/zinc/79/29/47/927792947.db2.gz WEWYALNTEFFOPW-JTQLQIEISA-N 1 1 319.427 -1.008 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428657157 927795701 /nfs/dbraw/zinc/79/57/01/927795701.db2.gz APACSHFTYCXFBX-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001428711247 927797107 /nfs/dbraw/zinc/79/71/07/927797107.db2.gz MDAJTNZHHOEOER-VIFPVBQESA-N 1 1 310.358 -1.259 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001428743926 927800660 /nfs/dbraw/zinc/80/06/60/927800660.db2.gz CELLRCGBTMEDHN-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001428798841 927807540 /nfs/dbraw/zinc/80/75/40/927807540.db2.gz PREJWLCUGQXRTJ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001428800050 927810543 /nfs/dbraw/zinc/81/05/43/927810543.db2.gz NNWGFNXQPDEBFW-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O ZINC001428817113 927813826 /nfs/dbraw/zinc/81/38/26/927813826.db2.gz QMOYESVQHOKEFD-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001428817113 927813846 /nfs/dbraw/zinc/81/38/46/927813846.db2.gz QMOYESVQHOKEFD-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001428817113 927813862 /nfs/dbraw/zinc/81/38/62/927813862.db2.gz QMOYESVQHOKEFD-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001428836780 927815088 /nfs/dbraw/zinc/81/50/88/927815088.db2.gz VIDDCHBLLZFQSU-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001428902150 927822476 /nfs/dbraw/zinc/82/24/76/927822476.db2.gz JHLWTXRUVCZDJG-TUAOUCFPSA-N 1 1 310.354 -1.086 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nnn(C)n1 ZINC001429205005 927844862 /nfs/dbraw/zinc/84/48/62/927844862.db2.gz VQLJJNRBNBMXHP-VIFPVBQESA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nnn(C)n1 ZINC001429205005 927844876 /nfs/dbraw/zinc/84/48/76/927844876.db2.gz VQLJJNRBNBMXHP-VIFPVBQESA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cncn1C ZINC001429201853 927846672 /nfs/dbraw/zinc/84/66/72/927846672.db2.gz KXIOFAHQYYWVGW-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cncn1C ZINC001429201853 927846677 /nfs/dbraw/zinc/84/66/77/927846677.db2.gz KXIOFAHQYYWVGW-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnc[nH]c1=O ZINC001429200330 927846983 /nfs/dbraw/zinc/84/69/83/927846983.db2.gz IISVXJBYCAGGOQ-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnc[nH]c1=O ZINC001429200330 927846998 /nfs/dbraw/zinc/84/69/98/927846998.db2.gz IISVXJBYCAGGOQ-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001429260228 927849643 /nfs/dbraw/zinc/84/96/43/927849643.db2.gz ZWMLMJNBAMILSX-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2ncn(C)n2)C1 ZINC001429245802 927851365 /nfs/dbraw/zinc/85/13/65/927851365.db2.gz WGENZDDNWYLKOW-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2ncn(C)n2)C1 ZINC001429245802 927851376 /nfs/dbraw/zinc/85/13/76/927851376.db2.gz WGENZDDNWYLKOW-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001429273676 927855093 /nfs/dbraw/zinc/85/50/93/927855093.db2.gz XXUKWAOMVBVROK-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429326632 927861103 /nfs/dbraw/zinc/86/11/03/927861103.db2.gz ZPXQBJVXDTWJIH-LLVKDONJSA-N 1 1 323.397 -1.136 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001429345363 927862256 /nfs/dbraw/zinc/86/22/56/927862256.db2.gz HJMNICYNIVBCQN-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001429345360 927862956 /nfs/dbraw/zinc/86/29/56/927862956.db2.gz HJMNICYNIVBCQN-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(=O)CNC(N)=O ZINC001429405159 927865844 /nfs/dbraw/zinc/86/58/44/927865844.db2.gz YLOVVOPAKWJZIB-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(N)=O)C1 ZINC001429401070 927867266 /nfs/dbraw/zinc/86/72/66/927867266.db2.gz XOYKJUJDPDPICF-USZNOCQGSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)c2nnn(C)n2)C1 ZINC001429427860 927868952 /nfs/dbraw/zinc/86/89/52/927868952.db2.gz QGUCIFWIIYUFJM-JTQLQIEISA-N 1 1 309.374 -1.260 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001429417804 927869220 /nfs/dbraw/zinc/86/92/20/927869220.db2.gz YHIXYFITUPCSJZ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001429468763 927874246 /nfs/dbraw/zinc/87/42/46/927874246.db2.gz QZHOTPKGJDYHJM-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001429468763 927874253 /nfs/dbraw/zinc/87/42/53/927874253.db2.gz QZHOTPKGJDYHJM-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001429481165 927876061 /nfs/dbraw/zinc/87/60/61/927876061.db2.gz FBMTWSKJAYUJEK-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001429807062 927897685 /nfs/dbraw/zinc/89/76/85/927897685.db2.gz JVIBDNSMQJQFGO-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001429872685 927901449 /nfs/dbraw/zinc/90/14/49/927901449.db2.gz MRECNDOOOHFQRW-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(C(=O)c2nc[nH]n2)C2CC2)C1 ZINC001429870938 927901584 /nfs/dbraw/zinc/90/15/84/927901584.db2.gz LDZMIDRSNYNLAU-NSHDSACASA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(C(=O)c2nc[nH]n2)C2CC2)C1 ZINC001429870938 927901587 /nfs/dbraw/zinc/90/15/87/927901587.db2.gz LDZMIDRSNYNLAU-NSHDSACASA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001429869300 927901864 /nfs/dbraw/zinc/90/18/64/927901864.db2.gz QZOKORRHHKAOFG-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](NC(=O)Cn2cnnn2)C2CC2)C1 ZINC001429971751 927906292 /nfs/dbraw/zinc/90/62/92/927906292.db2.gz XYCAXKKRFLSBGT-RYUDHWBXSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NC(=O)Cn2cnnn2)C2CC2)C1 ZINC001429971749 927907015 /nfs/dbraw/zinc/90/70/15/927907015.db2.gz XYCAXKKRFLSBGT-NWDGAFQWSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430091748 927910830 /nfs/dbraw/zinc/91/08/30/927910830.db2.gz XCCOCUSGDRCVHG-DCAQKATOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001430124134 927913239 /nfs/dbraw/zinc/91/32/39/927913239.db2.gz MZKOUPXCHSPGPJ-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001430124130 927913735 /nfs/dbraw/zinc/91/37/35/927913735.db2.gz MZKOUPXCHSPGPJ-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001430171566 927919856 /nfs/dbraw/zinc/91/98/56/927919856.db2.gz SOGMGEFUZOMWRA-SNVBAGLBSA-N 1 1 314.342 -2.000 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001430171566 927919862 /nfs/dbraw/zinc/91/98/62/927919862.db2.gz SOGMGEFUZOMWRA-SNVBAGLBSA-N 1 1 314.342 -2.000 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001430358635 927942030 /nfs/dbraw/zinc/94/20/30/927942030.db2.gz BHCPOSGRMIMMIY-UXCLJVHYSA-N 1 1 309.370 -1.821 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001430371575 927944346 /nfs/dbraw/zinc/94/43/46/927944346.db2.gz LNACVPDRELOFQS-UHFFFAOYSA-N 1 1 322.369 -1.175 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CNC(=O)N1 ZINC001430462904 927954877 /nfs/dbraw/zinc/95/48/77/927954877.db2.gz JQMKVZHBJZTEGU-SRVKXCTJSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478188 927955365 /nfs/dbraw/zinc/95/53/65/927955365.db2.gz AGLZJNFBADUXML-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478188 927955377 /nfs/dbraw/zinc/95/53/77/927955377.db2.gz AGLZJNFBADUXML-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430480256 927955660 /nfs/dbraw/zinc/95/56/60/927955660.db2.gz JVUWNAPEVBNOGN-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430480256 927955672 /nfs/dbraw/zinc/95/56/72/927955672.db2.gz JVUWNAPEVBNOGN-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1(NC(N)=O)CC1 ZINC001430472443 927955907 /nfs/dbraw/zinc/95/59/07/927955907.db2.gz MOMHEHFMGXWZNM-UWVGGRQHSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478193 927955945 /nfs/dbraw/zinc/95/59/45/927955945.db2.gz AGLZJNFBADUXML-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478193 927955956 /nfs/dbraw/zinc/95/59/56/927955956.db2.gz AGLZJNFBADUXML-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001430555733 927964431 /nfs/dbraw/zinc/96/44/31/927964431.db2.gz NOBDGTTXQCMEBY-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001430720675 927975802 /nfs/dbraw/zinc/97/58/02/927975802.db2.gz CXNKDVXUHSCPFM-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430963626 927988461 /nfs/dbraw/zinc/98/84/61/927988461.db2.gz NFUTUYWLXHZTAG-QWRGUYRKSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431000101 927989347 /nfs/dbraw/zinc/98/93/47/927989347.db2.gz FEHQQGPDNICZQH-ZYHUDNBSSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431000101 927989358 /nfs/dbraw/zinc/98/93/58/927989358.db2.gz FEHQQGPDNICZQH-ZYHUDNBSSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431018734 927992626 /nfs/dbraw/zinc/99/26/26/927992626.db2.gz AZMDSWGGEXYOHK-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431136729 927999037 /nfs/dbraw/zinc/99/90/37/927999037.db2.gz HDDVZRAAJYBZMY-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431136729 927999049 /nfs/dbraw/zinc/99/90/49/927999049.db2.gz HDDVZRAAJYBZMY-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001431187883 928000463 /nfs/dbraw/zinc/00/04/63/928000463.db2.gz RIDFMQGSSOYYIE-UWVGGRQHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1COC(=O)N1 ZINC001431187883 928000473 /nfs/dbraw/zinc/00/04/73/928000473.db2.gz RIDFMQGSSOYYIE-UWVGGRQHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CN1CN=NC1=O ZINC001431179016 928001220 /nfs/dbraw/zinc/00/12/20/928001220.db2.gz UPWCQZQCTFDHKH-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1ccnn1C ZINC001431187899 928001306 /nfs/dbraw/zinc/00/13/06/928001306.db2.gz RKAIVWKJDCBXTR-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccnn1C ZINC001431187899 928001322 /nfs/dbraw/zinc/00/13/22/928001322.db2.gz RKAIVWKJDCBXTR-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001431271281 928007030 /nfs/dbraw/zinc/00/70/30/928007030.db2.gz UNTCJVGDJWVRTM-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2nc[nH]n2)C1 ZINC001431280183 928008521 /nfs/dbraw/zinc/00/85/21/928008521.db2.gz YMEZLGPDEPTRHF-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)c2nc[nH]n2)C1 ZINC001431280183 928008536 /nfs/dbraw/zinc/00/85/36/928008536.db2.gz YMEZLGPDEPTRHF-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)Cn2ncnn2)CC[N@H+]1C ZINC001431282907 928008639 /nfs/dbraw/zinc/00/86/39/928008639.db2.gz OCYATJWNWBCZOI-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431317860 928011590 /nfs/dbraw/zinc/01/15/90/928011590.db2.gz NSVXUEPWUWCOSF-LBPRGKRZSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431317860 928011601 /nfs/dbraw/zinc/01/16/01/928011601.db2.gz NSVXUEPWUWCOSF-LBPRGKRZSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)Cn1cnnn1 ZINC001431324606 928011683 /nfs/dbraw/zinc/01/16/83/928011683.db2.gz JLDZAQJYSHCYCC-UHFFFAOYSA-N 1 1 311.390 -1.070 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001431390055 928014958 /nfs/dbraw/zinc/01/49/58/928014958.db2.gz ZLDMYGRGMDQFGY-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)Cn2ncnn2)C1 ZINC001431396637 928016581 /nfs/dbraw/zinc/01/65/81/928016581.db2.gz SPTVHAVZFPFVFB-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431477988 928027872 /nfs/dbraw/zinc/02/78/72/928027872.db2.gz BDFJJYYRFKSSLR-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431477988 928027883 /nfs/dbraw/zinc/02/78/83/928027883.db2.gz BDFJJYYRFKSSLR-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001431485455 928032635 /nfs/dbraw/zinc/03/26/35/928032635.db2.gz UKELSYRXMWKUGY-PWSUYJOCSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001431485454 928033288 /nfs/dbraw/zinc/03/32/88/928033288.db2.gz UKELSYRXMWKUGY-JQWIXIFHSA-N 1 1 316.402 -1.556 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnsn1 ZINC001431487531 928033558 /nfs/dbraw/zinc/03/35/58/928033558.db2.gz DNJNQYIGKMJOQE-WPRPVWTQSA-N 1 1 313.383 -1.161 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001431501798 928041390 /nfs/dbraw/zinc/04/13/90/928041390.db2.gz OMUPVSQEEMPRJU-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001431503485 928042488 /nfs/dbraw/zinc/04/24/88/928042488.db2.gz MBRNKVBVWPUBBI-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506690 928044118 /nfs/dbraw/zinc/04/41/18/928044118.db2.gz LNDHARJRINSKII-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(F)F)C1 ZINC001431506690 928044135 /nfs/dbraw/zinc/04/41/35/928044135.db2.gz LNDHARJRINSKII-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cccn2)C1 ZINC001431507825 928044362 /nfs/dbraw/zinc/04/43/62/928044362.db2.gz NBEPIDQORCRVST-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001431505371 928045020 /nfs/dbraw/zinc/04/50/20/928045020.db2.gz RVTMNVRJFSGKTD-WDEREUQCSA-N 1 1 301.387 -1.165 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001431527698 928049409 /nfs/dbraw/zinc/04/94/09/928049409.db2.gz DOAVVAWCJCKQDX-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001431527702 928050609 /nfs/dbraw/zinc/05/06/09/928050609.db2.gz DOAVVAWCJCKQDX-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c1cnon1)C1CCC1 ZINC001431541414 928057240 /nfs/dbraw/zinc/05/72/40/928057240.db2.gz STLUCFBANSFLFP-SNVBAGLBSA-N 1 1 311.342 -1.239 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001431549707 928060649 /nfs/dbraw/zinc/06/06/49/928060649.db2.gz OYLOYFRXFROYCP-SNVBAGLBSA-N 1 1 317.390 -2.151 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001431555630 928061682 /nfs/dbraw/zinc/06/16/82/928061682.db2.gz AWYLBOISXZFSDW-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001431556016 928062683 /nfs/dbraw/zinc/06/26/83/928062683.db2.gz CQPVRRVMEQTQJK-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)COCC(F)F ZINC001431565031 928064327 /nfs/dbraw/zinc/06/43/27/928064327.db2.gz WETAUHRCJNBXBP-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(CN1CCCC1)NCC(O)CNC(=O)C[NH+]1CCCC1 ZINC001431562959 928064521 /nfs/dbraw/zinc/06/45/21/928064521.db2.gz YPGVTHCAZVNWNK-UHFFFAOYSA-N 1 1 312.414 -1.229 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001431561394 928064720 /nfs/dbraw/zinc/06/47/20/928064720.db2.gz YFNOSNGBAJXLBI-HUBLWGQQSA-N 1 1 322.365 -1.179 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001431565816 928064805 /nfs/dbraw/zinc/06/48/05/928064805.db2.gz JEJAFFZKTPIHGJ-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001431565821 928065230 /nfs/dbraw/zinc/06/52/30/928065230.db2.gz JEJAFFZKTPIHGJ-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1csnn1 ZINC001431567148 928065955 /nfs/dbraw/zinc/06/59/55/928065955.db2.gz LBSSJHQDOGCUQB-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431569357 928067779 /nfs/dbraw/zinc/06/77/79/928067779.db2.gz KSNAFEXFEMSNER-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431577995 928069968 /nfs/dbraw/zinc/06/99/68/928069968.db2.gz XKZYFQITGQHKFJ-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001431622923 928071918 /nfs/dbraw/zinc/07/19/18/928071918.db2.gz JJTKFZONPYCCMQ-NSHDSACASA-N 1 1 324.385 -1.100 20 0 DAADMO CCN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C[N@@H+](C)C(C)C ZINC001431691750 928079542 /nfs/dbraw/zinc/07/95/42/928079542.db2.gz VDIWIWLVDYRILM-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)C1 ZINC001431828010 928087156 /nfs/dbraw/zinc/08/71/56/928087156.db2.gz LOPLRBXADMLUDL-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)C1 ZINC001431828010 928087168 /nfs/dbraw/zinc/08/71/68/928087168.db2.gz LOPLRBXADMLUDL-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001431867157 928089421 /nfs/dbraw/zinc/08/94/21/928089421.db2.gz PKMPDTGKZJTCRW-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431868470 928089841 /nfs/dbraw/zinc/08/98/41/928089841.db2.gz RHWPUSBRXRCZPL-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CNC(N)=O)CC[N@H+]1C ZINC001432029968 928098521 /nfs/dbraw/zinc/09/85/21/928098521.db2.gz FWVUFMKZXREANZ-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CNC(N)=O)CC[N@H+]1C ZINC001432029971 928098961 /nfs/dbraw/zinc/09/89/61/928098961.db2.gz FWVUFMKZXREANZ-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)CCNC(N)=O)C1 ZINC001432018266 928099122 /nfs/dbraw/zinc/09/91/22/928099122.db2.gz XTKXIRGYQDWWNT-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(Cc1cnc[nH]1)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001432182995 928110655 /nfs/dbraw/zinc/11/06/55/928110655.db2.gz CPYYLHLADCFVQB-UHFFFAOYSA-N 1 1 304.314 -1.596 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cn3ncnn3)CC2)CC[N@H+]1C ZINC001432181344 928110828 /nfs/dbraw/zinc/11/08/28/928110828.db2.gz AUTAMAZQOAXIRK-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)NCC(=O)NCC1(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001432207289 928114984 /nfs/dbraw/zinc/11/49/84/928114984.db2.gz ORLCRLNQTXGYGH-UHFFFAOYSA-N 1 1 322.369 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)c2nnn(C)n2)CC1 ZINC001432280342 928126211 /nfs/dbraw/zinc/12/62/11/928126211.db2.gz VIIDJBZQKNNGSB-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC001432270954 928126986 /nfs/dbraw/zinc/12/69/86/928126986.db2.gz UZJLKOFVADTVFX-UHFFFAOYSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001432300971 928127927 /nfs/dbraw/zinc/12/79/27/928127927.db2.gz VNPMFIZORYUWOH-NXEZZACHSA-N 1 1 309.370 -1.473 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001432349858 928135891 /nfs/dbraw/zinc/13/58/91/928135891.db2.gz WLSUPPDZYBMJHB-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432376715 928139516 /nfs/dbraw/zinc/13/95/16/928139516.db2.gz QMLRFSRIECCIPE-NSHDSACASA-N 1 1 321.385 -1.411 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)CNC(=O)NC)C1 ZINC001432430156 928147311 /nfs/dbraw/zinc/14/73/11/928147311.db2.gz ZKHBBOIFLRICCG-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001432471815 928151773 /nfs/dbraw/zinc/15/17/73/928151773.db2.gz IOLWFMRBRUKBEN-LLVKDONJSA-N 1 1 311.386 -1.417 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001432474338 928151926 /nfs/dbraw/zinc/15/19/26/928151926.db2.gz WWEULNJTLFPAQC-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)C1 ZINC001432474338 928151932 /nfs/dbraw/zinc/15/19/32/928151932.db2.gz WWEULNJTLFPAQC-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO CC[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432775083 928164109 /nfs/dbraw/zinc/16/41/09/928164109.db2.gz DVSRKZCPRMOPPM-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773538 928164803 /nfs/dbraw/zinc/16/48/03/928164803.db2.gz BBXRLAREZDYYTR-SWLSCSKDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C3CC3)C2)C1 ZINC001432773538 928164808 /nfs/dbraw/zinc/16/48/08/928164808.db2.gz BBXRLAREZDYYTR-SWLSCSKDSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432775075 928165150 /nfs/dbraw/zinc/16/51/50/928165150.db2.gz DVSRKZCPRMOPPM-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001432788248 928167138 /nfs/dbraw/zinc/16/71/38/928167138.db2.gz WVIVECTUTPUJOH-AWEZNQCLSA-N 1 1 310.354 -1.082 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001432928819 928170544 /nfs/dbraw/zinc/17/05/44/928170544.db2.gz KUBRBLLUDUOCFJ-JQWIXIFHSA-N 1 1 314.386 -1.678 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001432928819 928170550 /nfs/dbraw/zinc/17/05/50/928170550.db2.gz KUBRBLLUDUOCFJ-JQWIXIFHSA-N 1 1 314.386 -1.678 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432958545 928172310 /nfs/dbraw/zinc/17/23/10/928172310.db2.gz UYMAMPVNNTZRHW-MNOVXSKESA-N 1 1 319.427 -1.149 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC[C@H](O)CNC(=O)C1CC1 ZINC001433212714 928183522 /nfs/dbraw/zinc/18/35/22/928183522.db2.gz OYLLPOOZSZMHAA-OLZOCXBDSA-N 1 1 323.397 -1.183 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001433235028 928188760 /nfs/dbraw/zinc/18/87/60/928188760.db2.gz USPYFQZNGWHAFN-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001433241615 928190991 /nfs/dbraw/zinc/19/09/91/928190991.db2.gz HYHNCMKHMAZDCB-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2cccn2)CC[N@H+]1C ZINC001433239616 928191255 /nfs/dbraw/zinc/19/12/55/928191255.db2.gz GWVLJPXNWXUOJW-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001433257247 928198227 /nfs/dbraw/zinc/19/82/27/928198227.db2.gz OWLFPVSUZPTLOY-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433258368 928199585 /nfs/dbraw/zinc/19/95/85/928199585.db2.gz MUIUFLATRROJBR-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433258368 928199591 /nfs/dbraw/zinc/19/95/91/928199591.db2.gz MUIUFLATRROJBR-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001433260194 928200674 /nfs/dbraw/zinc/20/06/74/928200674.db2.gz RPCSWSLMEGCTAY-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001433260194 928200689 /nfs/dbraw/zinc/20/06/89/928200689.db2.gz RPCSWSLMEGCTAY-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001433260117 928201692 /nfs/dbraw/zinc/20/16/92/928201692.db2.gz HMJKGFACNLHHQW-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001433274965 928202828 /nfs/dbraw/zinc/20/28/28/928202828.db2.gz CMUZUEGSUCGAIJ-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001433287205 928209817 /nfs/dbraw/zinc/20/98/17/928209817.db2.gz OYCSKHDVSARSFN-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001433288731 928209974 /nfs/dbraw/zinc/20/99/74/928209974.db2.gz SITKTQPFVXKTJS-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291164 928210279 /nfs/dbraw/zinc/21/02/79/928210279.db2.gz DMRGHTFSKYTWCC-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291164 928210289 /nfs/dbraw/zinc/21/02/89/928210289.db2.gz DMRGHTFSKYTWCC-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291161 928210369 /nfs/dbraw/zinc/21/03/69/928210369.db2.gz DMRGHTFSKYTWCC-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001433291161 928210378 /nfs/dbraw/zinc/21/03/78/928210378.db2.gz DMRGHTFSKYTWCC-CHWSQXEVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001433299245 928212508 /nfs/dbraw/zinc/21/25/08/928212508.db2.gz DJHUWOKQOCBXLC-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001433327594 928216476 /nfs/dbraw/zinc/21/64/76/928216476.db2.gz FSDRZWVOHVTOFK-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001433327583 928217739 /nfs/dbraw/zinc/21/77/39/928217739.db2.gz FSDRZWVOHVTOFK-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001433337684 928218509 /nfs/dbraw/zinc/21/85/09/928218509.db2.gz XBJBMNJSKZRIRB-GFCCVEGCSA-N 1 1 323.397 -1.113 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433408132 928223935 /nfs/dbraw/zinc/22/39/35/928223935.db2.gz QCTRFWDEGMMWNK-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433408132 928223948 /nfs/dbraw/zinc/22/39/48/928223948.db2.gz QCTRFWDEGMMWNK-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](c1nnnn1C)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001433424198 928225898 /nfs/dbraw/zinc/22/58/98/928225898.db2.gz UIGVJMHGJILESQ-VXGBXAGGSA-N 1 1 323.401 -1.254 20 0 DAADMO C[C@H](c1nnnn1C)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001433424198 928225914 /nfs/dbraw/zinc/22/59/14/928225914.db2.gz UIGVJMHGJILESQ-VXGBXAGGSA-N 1 1 323.401 -1.254 20 0 DAADMO C[N@H+]1CCCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001433591829 928242708 /nfs/dbraw/zinc/24/27/08/928242708.db2.gz QQIZHMNDBFYUQS-UHFFFAOYSA-N 1 1 323.353 -1.398 20 0 DAADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H](CO)NC(N)=O ZINC001433845109 928270479 /nfs/dbraw/zinc/27/04/79/928270479.db2.gz PLSKMNURFFBUNV-NSHDSACASA-N 1 1 316.402 -1.168 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001433900121 928278952 /nfs/dbraw/zinc/27/89/52/928278952.db2.gz YIMLTKVCLCYKCV-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001433949071 928284641 /nfs/dbraw/zinc/28/46/41/928284641.db2.gz WSMOQSOVXCEXCZ-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+](C)C1 ZINC001434094216 928303496 /nfs/dbraw/zinc/30/34/96/928303496.db2.gz AGHPVASYZRBJGE-JTQLQIEISA-N 1 1 308.338 -1.043 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)[C@@H](C)C[N@H+]1CCO ZINC001434104001 928303845 /nfs/dbraw/zinc/30/38/45/928303845.db2.gz YTJVHMSZJHMOHU-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001434103750 928305311 /nfs/dbraw/zinc/30/53/11/928305311.db2.gz HTSMCRMSAGEAOP-NSHDSACASA-N 1 1 311.386 -1.323 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001434102496 928305973 /nfs/dbraw/zinc/30/59/73/928305973.db2.gz QJBZFHVQCVHFAS-MXWKQRLJSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001434102496 928305981 /nfs/dbraw/zinc/30/59/81/928305981.db2.gz QJBZFHVQCVHFAS-MXWKQRLJSA-N 1 1 307.416 -1.162 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001434149456 928309785 /nfs/dbraw/zinc/30/97/85/928309785.db2.gz LOZFMWICOLLSLS-NWDGAFQWSA-N 1 1 315.337 -1.052 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001434225902 928317271 /nfs/dbraw/zinc/31/72/71/928317271.db2.gz KPMOWJBBCCNLOI-UHFFFAOYSA-N 1 1 322.369 -1.345 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@H](CO)C1 ZINC001434230795 928318403 /nfs/dbraw/zinc/31/84/03/928318403.db2.gz XSXXXOQIFXWIPN-MNOVXSKESA-N 1 1 320.415 -1.963 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)[C@H](CO)C1 ZINC001434230795 928318417 /nfs/dbraw/zinc/31/84/17/928318417.db2.gz XSXXXOQIFXWIPN-MNOVXSKESA-N 1 1 320.415 -1.963 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC(NS(N)(=O)=O)C2)no1 ZINC001434250445 928323302 /nfs/dbraw/zinc/32/33/02/928323302.db2.gz CNHOCVXYIGFSMJ-UHFFFAOYSA-N 1 1 303.344 -1.646 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnc2sccn2c1=O ZINC001434284572 928324306 /nfs/dbraw/zinc/32/43/06/928324306.db2.gz WATNZFRMVVVHJK-CYBMUJFWSA-N 1 1 324.362 -1.163 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001434288307 928325277 /nfs/dbraw/zinc/32/52/77/928325277.db2.gz RWNWDJJQVFNZLO-NSHDSACASA-N 1 1 324.403 -2.808 20 0 DAADMO COC(=O)N[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)C(C)C ZINC001434282783 928326107 /nfs/dbraw/zinc/32/61/07/928326107.db2.gz JAYWDQZJWNDJAA-GWCFXTLKSA-N 1 1 303.359 -1.166 20 0 DAADMO NC(=O)COc1ccccc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001434282710 928326229 /nfs/dbraw/zinc/32/62/29/928326229.db2.gz IEOMNZBNPXAKTG-OAHLLOKOSA-N 1 1 323.349 -1.369 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001434310676 928328092 /nfs/dbraw/zinc/32/80/92/928328092.db2.gz PWMBLVNCUBCXJM-ISTVAULSSA-N 1 1 316.354 -1.138 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001434310676 928328105 /nfs/dbraw/zinc/32/81/05/928328105.db2.gz PWMBLVNCUBCXJM-ISTVAULSSA-N 1 1 316.354 -1.138 20 0 DAADMO O=C(C[NH+]1CCC(CO)CC1)NCc1nnc2n1CCNC2=O ZINC001434325114 928331102 /nfs/dbraw/zinc/33/11/02/928331102.db2.gz XLJJPOBFQKWCOW-UHFFFAOYSA-N 1 1 322.369 -1.658 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329810 928333374 /nfs/dbraw/zinc/33/33/74/928333374.db2.gz AQBXBNGSLNFCPG-DOMZBBRYSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329810 928333384 /nfs/dbraw/zinc/33/33/84/928333384.db2.gz AQBXBNGSLNFCPG-DOMZBBRYSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001434330994 928334773 /nfs/dbraw/zinc/33/47/73/928334773.db2.gz GHJXYCBTQSYWCQ-AXFHLTTASA-N 1 1 303.384 -1.654 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434346559 928335605 /nfs/dbraw/zinc/33/56/05/928335605.db2.gz WRFXCAYMLXDGEZ-ZJUUUORDSA-N 1 1 319.431 -1.937 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434346552 928336797 /nfs/dbraw/zinc/33/67/97/928336797.db2.gz WRFXCAYMLXDGEZ-NXEZZACHSA-N 1 1 319.431 -1.937 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC001434363704 928340169 /nfs/dbraw/zinc/34/01/69/928340169.db2.gz ANJCRPIQACNDRK-UHFFFAOYSA-N 1 1 319.387 -2.039 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001434381839 928345408 /nfs/dbraw/zinc/34/54/08/928345408.db2.gz XYKGDONDQCIYPZ-UWVGGRQHSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001434398879 928346311 /nfs/dbraw/zinc/34/63/11/928346311.db2.gz AGANZMLDUCZQPB-OAHLLOKOSA-N 1 1 307.350 -1.202 20 0 DAADMO O=C(c1cn(C(F)(F)CO)nn1)N1CC([NH2+]C2COC2)C1 ZINC001434400289 928347110 /nfs/dbraw/zinc/34/71/10/928347110.db2.gz SXUQTUIDFBUWSF-UHFFFAOYSA-N 1 1 303.269 -1.368 20 0 DAADMO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001434399355 928347783 /nfs/dbraw/zinc/34/77/83/928347783.db2.gz ILCJHSUNAWWZGP-JTQLQIEISA-N 1 1 317.411 -1.143 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CC2CS(=O)(=O)C2)CC1 ZINC001434425411 928351664 /nfs/dbraw/zinc/35/16/64/928351664.db2.gz SNVGMTCYZSMBEA-UHFFFAOYSA-N 1 1 303.384 -1.689 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC001434481322 928356276 /nfs/dbraw/zinc/35/62/76/928356276.db2.gz SHSXMVHAYRMHOL-IINYFYTJSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC001434481322 928356281 /nfs/dbraw/zinc/35/62/81/928356281.db2.gz SHSXMVHAYRMHOL-IINYFYTJSA-N 1 1 301.387 -1.165 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)C[C@H]1C(N)=O ZINC001434482574 928357347 /nfs/dbraw/zinc/35/73/47/928357347.db2.gz NPNVQABCUQUJAP-PHIMTYICSA-N 1 1 305.338 -1.071 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCCS(N)(=O)=O ZINC001434476135 928358073 /nfs/dbraw/zinc/35/80/73/928358073.db2.gz TVLFULLJOHXKMH-SECBINFHSA-N 1 1 307.372 -1.581 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCCS(N)(=O)=O ZINC001434476135 928358082 /nfs/dbraw/zinc/35/80/82/928358082.db2.gz TVLFULLJOHXKMH-SECBINFHSA-N 1 1 307.372 -1.581 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C2 ZINC001434493684 928361239 /nfs/dbraw/zinc/36/12/39/928361239.db2.gz ZGFYGRGTVCFMIP-ZNMIVQPWSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C2 ZINC001434493684 928361254 /nfs/dbraw/zinc/36/12/54/928361254.db2.gz ZGFYGRGTVCFMIP-ZNMIVQPWSA-N 1 1 316.398 -1.732 20 0 DAADMO CCOC(=O)c1nn(C)cc1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434533630 928362860 /nfs/dbraw/zinc/36/28/60/928362860.db2.gz BCRLTHZDUQEUFS-NXEZZACHSA-N 1 1 323.353 -1.385 20 0 DAADMO COC(=O)[C@H]1C[C@@H](S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001434560796 928365448 /nfs/dbraw/zinc/36/54/48/928365448.db2.gz JZSLEBGOEYHMMS-JFGNBEQYSA-N 1 1 306.384 -1.076 20 0 DAADMO NC(=O)C1=NO[C@@H](CNC(=O)NCC[NH+]2CCSCC2)C1 ZINC001434774036 928379399 /nfs/dbraw/zinc/37/93/99/928379399.db2.gz SRWLTIQXLVDAFS-SECBINFHSA-N 1 1 315.399 -1.035 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001434855777 928387947 /nfs/dbraw/zinc/38/79/47/928387947.db2.gz VXEYHLUTTZJLMK-KGLIPLIRSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)C1 ZINC001434846675 928387990 /nfs/dbraw/zinc/38/79/90/928387990.db2.gz SNPPGQRHMCALQJ-JTQLQIEISA-N 1 1 315.395 -1.546 20 0 DAADMO NC(=O)[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001434834684 928388899 /nfs/dbraw/zinc/38/88/99/928388899.db2.gz RADVCNGPVPKEKC-PHIMTYICSA-N 1 1 312.370 -1.002 20 0 DAADMO NC(=O)[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001434834684 928388910 /nfs/dbraw/zinc/38/89/10/928388910.db2.gz RADVCNGPVPKEKC-PHIMTYICSA-N 1 1 312.370 -1.002 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001434846774 928389125 /nfs/dbraw/zinc/38/91/25/928389125.db2.gz MPBTYWAGRHAQIG-GHMZBOCLSA-N 1 1 323.397 -1.192 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001436458602 928398700 /nfs/dbraw/zinc/39/87/00/928398700.db2.gz HCCGARAEKSYUNB-OLZOCXBDSA-N 1 1 310.398 -1.009 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001436471654 928399638 /nfs/dbraw/zinc/39/96/38/928399638.db2.gz SVLXQLBJNBZVLN-NMKXLXIOSA-N 1 1 311.382 -1.351 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001436471654 928399651 /nfs/dbraw/zinc/39/96/51/928399651.db2.gz SVLXQLBJNBZVLN-NMKXLXIOSA-N 1 1 311.382 -1.351 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001436450722 928400640 /nfs/dbraw/zinc/40/06/40/928400640.db2.gz LDLFJSWUHWKWEH-NWDGAFQWSA-N 1 1 315.370 -1.238 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001436465617 928400826 /nfs/dbraw/zinc/40/08/26/928400826.db2.gz YSHFNVANDUGORG-LBPRGKRZSA-N 1 1 316.402 -1.288 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)c2nc[nH]n2)CC1 ZINC001436667488 928402190 /nfs/dbraw/zinc/40/21/90/928402190.db2.gz HOJNVHOAYIDNJJ-QMMMGPOBSA-N 1 1 323.357 -1.076 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CCn2cnnn2)CC1 ZINC001436670685 928402506 /nfs/dbraw/zinc/40/25/06/928402506.db2.gz QOQGWMKIAAIHMY-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001436731685 928407661 /nfs/dbraw/zinc/40/76/61/928407661.db2.gz XHTITVIXGNTYDC-DTWKUNHWSA-N 1 1 321.403 -2.635 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001436731685 928407671 /nfs/dbraw/zinc/40/76/71/928407671.db2.gz XHTITVIXGNTYDC-DTWKUNHWSA-N 1 1 321.403 -2.635 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001436731288 928408858 /nfs/dbraw/zinc/40/88/58/928408858.db2.gz QHBOTSQJYRAFCO-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001436731288 928408870 /nfs/dbraw/zinc/40/88/70/928408870.db2.gz QHBOTSQJYRAFCO-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001436730133 928408902 /nfs/dbraw/zinc/40/89/02/928408902.db2.gz LGVMTGRVJDIPGF-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001436730133 928408912 /nfs/dbraw/zinc/40/89/12/928408912.db2.gz LGVMTGRVJDIPGF-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001436729984 928409111 /nfs/dbraw/zinc/40/91/11/928409111.db2.gz HNTAOONFKKCLJH-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001436729984 928409125 /nfs/dbraw/zinc/40/91/25/928409125.db2.gz HNTAOONFKKCLJH-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728381 928409762 /nfs/dbraw/zinc/40/97/62/928409762.db2.gz BZFIVORHBCKANS-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728381 928409769 /nfs/dbraw/zinc/40/97/69/928409769.db2.gz BZFIVORHBCKANS-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001436772755 928411548 /nfs/dbraw/zinc/41/15/48/928411548.db2.gz TUONIDDLCHHAPU-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001436778565 928412399 /nfs/dbraw/zinc/41/23/99/928412399.db2.gz HYKCOSUZLZMULW-VHSXEESVSA-N 1 1 308.342 -1.092 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001436833740 928413621 /nfs/dbraw/zinc/41/36/21/928413621.db2.gz AKXQHXRCXLQVPW-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)c2nnn(C)n2)C2CC2)nn1 ZINC001436813021 928413747 /nfs/dbraw/zinc/41/37/47/928413747.db2.gz NXCGIPZFUCHLBJ-SNVBAGLBSA-N 1 1 305.346 -1.363 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436875689 928413792 /nfs/dbraw/zinc/41/37/92/928413792.db2.gz KOUVULOWYKBHNZ-WDEREUQCSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)c2nnn(C)n2)C2CC2)nn1 ZINC001436813014 928414685 /nfs/dbraw/zinc/41/46/85/928414685.db2.gz NXCGIPZFUCHLBJ-JTQLQIEISA-N 1 1 305.346 -1.363 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001436852054 928414721 /nfs/dbraw/zinc/41/47/21/928414721.db2.gz UTRFQIHUWUHPDR-LLVKDONJSA-N 1 1 309.374 -1.281 20 0 DAADMO CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001436897840 928415694 /nfs/dbraw/zinc/41/56/94/928415694.db2.gz JENSESXMGHYYOW-GMTAPVOTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC001436902072 928416008 /nfs/dbraw/zinc/41/60/08/928416008.db2.gz SFLXYARKFYOYHC-OPRDCNLKSA-N 1 1 315.399 -1.015 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC001436902071 928416648 /nfs/dbraw/zinc/41/66/48/928416648.db2.gz SFLXYARKFYOYHC-GUBZILKMSA-N 1 1 315.399 -1.015 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1)C(N)=O ZINC001436918804 928418657 /nfs/dbraw/zinc/41/86/57/928418657.db2.gz SUXOKQZPFJTOAN-SRVKXCTJSA-N 1 1 323.353 -1.209 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC001436998928 928420151 /nfs/dbraw/zinc/42/01/51/928420151.db2.gz SNQSIYYQKQJLAJ-JTQLQIEISA-N 1 1 310.358 -1.803 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)n1 ZINC001436998935 928421992 /nfs/dbraw/zinc/42/19/92/928421992.db2.gz SNQSIYYQKQJLAJ-SNVBAGLBSA-N 1 1 310.358 -1.803 20 0 DAADMO Cn1ncc(CCC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001436966649 928422105 /nfs/dbraw/zinc/42/21/05/928422105.db2.gz SYSQRKQDUULCNV-PHIMTYICSA-N 1 1 319.373 -1.292 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070212 928423155 /nfs/dbraw/zinc/42/31/55/928423155.db2.gz JUCKLINCZBIGDB-NZFPMDFQSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070212 928423161 /nfs/dbraw/zinc/42/31/61/928423161.db2.gz JUCKLINCZBIGDB-NZFPMDFQSA-N 1 1 315.395 -1.646 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001437071450 928423858 /nfs/dbraw/zinc/42/38/58/928423858.db2.gz PYIQFKSAMAABQS-SSKLVLDBSA-N 1 1 311.382 -1.434 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001437010776 928423887 /nfs/dbraw/zinc/42/38/87/928423887.db2.gz ZNXRFCPWWAXJKN-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)NC(N)=O ZINC001437068240 928424222 /nfs/dbraw/zinc/42/42/22/928424222.db2.gz PDRSTSNRLUVSQJ-DSPMHBFJSA-N 1 1 309.370 -1.632 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)COC ZINC001437032141 928424395 /nfs/dbraw/zinc/42/43/95/928424395.db2.gz HWKRDPBAOQOYFC-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001437149441 928428896 /nfs/dbraw/zinc/42/88/96/928428896.db2.gz FYZUALJYQRRESL-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437158542 928432150 /nfs/dbraw/zinc/43/21/50/928432150.db2.gz SPVFGKCTDDDPRE-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1ncnn1C ZINC001437160364 928432201 /nfs/dbraw/zinc/43/22/01/928432201.db2.gz CWQZZXQJNBSRFM-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437165805 928432584 /nfs/dbraw/zinc/43/25/84/928432584.db2.gz QSMWGZJOFYSXPV-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001437158035 928433000 /nfs/dbraw/zinc/43/30/00/928433000.db2.gz AZJSFHNABLCJGZ-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@H](C)c1nnnn1C ZINC001437186204 928434861 /nfs/dbraw/zinc/43/48/61/928434861.db2.gz JSDMYGMVIQUXLK-NXEZZACHSA-N 1 1 324.389 -2.203 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C(C)(C)C ZINC001437194901 928434897 /nfs/dbraw/zinc/43/48/97/928434897.db2.gz KGLHCDGFGUMOIF-RKDXNWHRSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ncnn1CCF ZINC001437199385 928434937 /nfs/dbraw/zinc/43/49/37/928434937.db2.gz BPVKVIDJLLMPNX-BBBLOLIVSA-N 1 1 312.349 -1.037 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1)c1nnnn1C ZINC001437186213 928435897 /nfs/dbraw/zinc/43/58/97/928435897.db2.gz JSDMYGMVIQUXLK-VHSXEESVSA-N 1 1 324.389 -2.203 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001437190621 928436266 /nfs/dbraw/zinc/43/62/66/928436266.db2.gz VRLYSXFFSZIXQL-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001437201245 928436448 /nfs/dbraw/zinc/43/64/48/928436448.db2.gz KPBJZNDRKIPINS-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001437217501 928436596 /nfs/dbraw/zinc/43/65/96/928436596.db2.gz YXDMFLVRUASPJY-APPZFPTMSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437221171 928438410 /nfs/dbraw/zinc/43/84/10/928438410.db2.gz FNENPMIPXFJNRX-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437221171 928438419 /nfs/dbraw/zinc/43/84/19/928438419.db2.gz FNENPMIPXFJNRX-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001437249173 928438558 /nfs/dbraw/zinc/43/85/58/928438558.db2.gz RWAIDJWJIPNZJF-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NCc1nnn(C)n1 ZINC001437227456 928439075 /nfs/dbraw/zinc/43/90/75/928439075.db2.gz MFLSAYRGCIPGOF-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437221161 928439180 /nfs/dbraw/zinc/43/91/80/928439180.db2.gz FNENPMIPXFJNRX-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001437221161 928439186 /nfs/dbraw/zinc/43/91/86/928439186.db2.gz FNENPMIPXFJNRX-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnns1 ZINC001437262202 928440431 /nfs/dbraw/zinc/44/04/31/928440431.db2.gz YDPZGCAYMWCGGR-CBAPKCEASA-N 1 1 319.412 -1.176 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001437257541 928441222 /nfs/dbraw/zinc/44/12/22/928441222.db2.gz IPIPJOHOGHWLOM-SECBINFHSA-N 1 1 303.388 -1.436 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001437348451 928445799 /nfs/dbraw/zinc/44/57/99/928445799.db2.gz LBJCTFQCBOZBMZ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001437327680 928445917 /nfs/dbraw/zinc/44/59/17/928445917.db2.gz FCMOSNUXBHGZTI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001437327680 928445921 /nfs/dbraw/zinc/44/59/21/928445921.db2.gz FCMOSNUXBHGZTI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001437328204 928446573 /nfs/dbraw/zinc/44/65/73/928446573.db2.gz FAKFCSYMSUKEPF-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCCO)C1 ZINC001437343120 928446671 /nfs/dbraw/zinc/44/66/71/928446671.db2.gz DPBOJUDHDGNCBI-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001437402451 928448093 /nfs/dbraw/zinc/44/80/93/928448093.db2.gz AJPVDOKOGJIQIR-APPZFPTMSA-N 1 1 324.341 -1.039 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)o1 ZINC001437402478 928448951 /nfs/dbraw/zinc/44/89/51/928448951.db2.gz AJPVDOKOGJIQIR-CBAPKCEASA-N 1 1 324.341 -1.039 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@H]1CCc2ncnn21 ZINC001437461345 928450781 /nfs/dbraw/zinc/45/07/81/928450781.db2.gz ZTZMHYDRDQDZLK-SNVBAGLBSA-N 1 1 305.346 -1.500 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001437456880 928450831 /nfs/dbraw/zinc/45/08/31/928450831.db2.gz ISPKKDHAYCAOTE-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001437456880 928450837 /nfs/dbraw/zinc/45/08/37/928450837.db2.gz ISPKKDHAYCAOTE-SECBINFHSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001437453695 928450863 /nfs/dbraw/zinc/45/08/63/928450863.db2.gz UQXKRPLFJKCSRA-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+](CCNC(=O)c1cncnc1)CCNS(C)(=O)=O ZINC001437452706 928450981 /nfs/dbraw/zinc/45/09/81/928450981.db2.gz OJDDBISGJRRLFC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1cncnc1)CCNS(C)(=O)=O ZINC001437452706 928450987 /nfs/dbraw/zinc/45/09/87/928450987.db2.gz OJDDBISGJRRLFC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001437453698 928451054 /nfs/dbraw/zinc/45/10/54/928451054.db2.gz UQXKRPLFJKCSRA-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1nc(C)n(CC[N@@H+](C)CCNC(=O)Cn2ncnn2)n1 ZINC001437458975 928451425 /nfs/dbraw/zinc/45/14/25/928451425.db2.gz SGTPRYFXYWOJEV-UHFFFAOYSA-N 1 1 307.362 -1.370 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437458371 928452027 /nfs/dbraw/zinc/45/20/27/928452027.db2.gz QWYHCXCNTONHEP-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437458371 928452036 /nfs/dbraw/zinc/45/20/36/928452036.db2.gz QWYHCXCNTONHEP-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001437458168 928452762 /nfs/dbraw/zinc/45/27/62/928452762.db2.gz IJSMRWISIMCPAS-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001437458168 928452767 /nfs/dbraw/zinc/45/27/67/928452767.db2.gz IJSMRWISIMCPAS-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001437456882 928452844 /nfs/dbraw/zinc/45/28/44/928452844.db2.gz ISPKKDHAYCAOTE-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001437456882 928452850 /nfs/dbraw/zinc/45/28/50/928452850.db2.gz ISPKKDHAYCAOTE-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO C[N@H+](CCNC(=O)c1cn2c(n1)COCC2)CC(=O)NC(N)=O ZINC001437480071 928455260 /nfs/dbraw/zinc/45/52/60/928455260.db2.gz BLBOBYTXOOLVSA-UHFFFAOYSA-N 1 1 324.341 -1.730 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn2c(n1)COCC2)CC(=O)NC(N)=O ZINC001437480071 928455267 /nfs/dbraw/zinc/45/52/67/928455267.db2.gz BLBOBYTXOOLVSA-UHFFFAOYSA-N 1 1 324.341 -1.730 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccc(C)nn1 ZINC001437463875 928455344 /nfs/dbraw/zinc/45/53/44/928455344.db2.gz WOTAZAGPDVIORJ-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C)nn1 ZINC001437463875 928455351 /nfs/dbraw/zinc/45/53/51/928455351.db2.gz WOTAZAGPDVIORJ-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437474253 928456039 /nfs/dbraw/zinc/45/60/39/928456039.db2.gz ZTEIAAZUCGUPPF-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437474253 928456047 /nfs/dbraw/zinc/45/60/47/928456047.db2.gz ZTEIAAZUCGUPPF-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCOC1 ZINC001437480662 928456145 /nfs/dbraw/zinc/45/61/45/928456145.db2.gz KSZHYSLFFSCNNR-GFCCVEGCSA-N 1 1 314.386 -1.677 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)CC1=O ZINC001437469886 928456536 /nfs/dbraw/zinc/45/65/36/928456536.db2.gz FQTGKWZZUNOHFA-STQMWFEESA-N 1 1 323.397 -1.230 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001437471872 928456622 /nfs/dbraw/zinc/45/66/22/928456622.db2.gz QEGGVNWXCYEIOT-VIFPVBQESA-N 1 1 311.342 -2.531 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001437471872 928456628 /nfs/dbraw/zinc/45/66/28/928456628.db2.gz QEGGVNWXCYEIOT-VIFPVBQESA-N 1 1 311.342 -2.531 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C2CCC2)C1=O ZINC001437513242 928458075 /nfs/dbraw/zinc/45/80/75/928458075.db2.gz UHOVHUJGAXKIJJ-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C2CCC2)C1=O ZINC001437513242 928458078 /nfs/dbraw/zinc/45/80/78/928458078.db2.gz UHOVHUJGAXKIJJ-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C2CCC2)C1=O ZINC001437513248 928458092 /nfs/dbraw/zinc/45/80/92/928458092.db2.gz UHOVHUJGAXKIJJ-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(C2CCC2)C1=O ZINC001437513248 928458097 /nfs/dbraw/zinc/45/80/97/928458097.db2.gz UHOVHUJGAXKIJJ-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437501900 928458111 /nfs/dbraw/zinc/45/81/11/928458111.db2.gz BYUKVWTWHBQAKH-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437501900 928458118 /nfs/dbraw/zinc/45/81/18/928458118.db2.gz BYUKVWTWHBQAKH-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001437517680 928458420 /nfs/dbraw/zinc/45/84/20/928458420.db2.gz GISYWLJJIRWXPT-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001437517680 928458427 /nfs/dbraw/zinc/45/84/27/928458427.db2.gz GISYWLJJIRWXPT-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C2CCC2)C1=O ZINC001437513246 928458954 /nfs/dbraw/zinc/45/89/54/928458954.db2.gz UHOVHUJGAXKIJJ-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(C2CCC2)C1=O ZINC001437513246 928458964 /nfs/dbraw/zinc/45/89/64/928458964.db2.gz UHOVHUJGAXKIJJ-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O)CC2 ZINC001437510650 928458997 /nfs/dbraw/zinc/45/89/97/928458997.db2.gz XDLQKGJICRXLFP-ZYHUDNBSSA-N 1 1 320.397 -1.144 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O)CC2 ZINC001437510650 928459004 /nfs/dbraw/zinc/45/90/04/928459004.db2.gz XDLQKGJICRXLFP-ZYHUDNBSSA-N 1 1 320.397 -1.144 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437528110 928459096 /nfs/dbraw/zinc/45/90/96/928459096.db2.gz WGLFPDNGDIBGCG-UHFFFAOYSA-N 1 1 308.342 -1.679 20 0 DAADMO C[N@H+](CCNC(=O)c1cccc2ncnn21)CC(=O)NC(N)=O ZINC001437493308 928459194 /nfs/dbraw/zinc/45/91/94/928459194.db2.gz RQWHPYBTBQWSLB-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccc2ncnn21)CC(=O)NC(N)=O ZINC001437493308 928459201 /nfs/dbraw/zinc/45/92/01/928459201.db2.gz RQWHPYBTBQWSLB-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@H+](CCNC(=O)c1nccn2ccnc12)CC(=O)NC(N)=O ZINC001437517857 928459283 /nfs/dbraw/zinc/45/92/83/928459283.db2.gz USWVOCKYDMAMCG-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccn2ccnc12)CC(=O)NC(N)=O ZINC001437517857 928459289 /nfs/dbraw/zinc/45/92/89/928459289.db2.gz USWVOCKYDMAMCG-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001437501930 928459348 /nfs/dbraw/zinc/45/93/48/928459348.db2.gz QNNZNCQBZYSUQE-UHFFFAOYSA-N 1 1 324.345 -2.140 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC2CC2)n1 ZINC001437501930 928459353 /nfs/dbraw/zinc/45/93/53/928459353.db2.gz QNNZNCQBZYSUQE-UHFFFAOYSA-N 1 1 324.345 -2.140 20 0 DAADMO C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437517677 928459420 /nfs/dbraw/zinc/45/94/20/928459420.db2.gz GISYWLJJIRWXPT-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437517677 928459425 /nfs/dbraw/zinc/45/94/25/928459425.db2.gz GISYWLJJIRWXPT-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)CC2 ZINC001437510639 928459651 /nfs/dbraw/zinc/45/96/51/928459651.db2.gz XDLQKGJICRXLFP-JQWIXIFHSA-N 1 1 320.397 -1.144 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)CC2 ZINC001437510639 928459654 /nfs/dbraw/zinc/45/96/54/928459654.db2.gz XDLQKGJICRXLFP-JQWIXIFHSA-N 1 1 320.397 -1.144 20 0 DAADMO COc1cccnc1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001437506703 928459911 /nfs/dbraw/zinc/45/99/11/928459911.db2.gz MUNCOWUTQNSCBK-UHFFFAOYSA-N 1 1 323.353 -1.124 20 0 DAADMO COc1cccnc1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001437506703 928459920 /nfs/dbraw/zinc/45/99/20/928459920.db2.gz MUNCOWUTQNSCBK-UHFFFAOYSA-N 1 1 323.353 -1.124 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437503213 928460091 /nfs/dbraw/zinc/46/00/91/928460091.db2.gz BZHLRHVSINBFSL-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437503213 928460097 /nfs/dbraw/zinc/46/00/97/928460097.db2.gz BZHLRHVSINBFSL-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437503204 928460207 /nfs/dbraw/zinc/46/02/07/928460207.db2.gz BZHLRHVSINBFSL-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001437503204 928460213 /nfs/dbraw/zinc/46/02/13/928460213.db2.gz BZHLRHVSINBFSL-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO Cn1cc(CC[N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001437505837 928460353 /nfs/dbraw/zinc/46/03/53/928460353.db2.gz KROGHEFAEKNPRQ-UHFFFAOYSA-N 1 1 322.413 -1.558 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001437554419 928461421 /nfs/dbraw/zinc/46/14/21/928461421.db2.gz PENRTHPDTJVXHQ-UHFFFAOYSA-N 1 1 321.341 -1.220 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001437554419 928461430 /nfs/dbraw/zinc/46/14/30/928461430.db2.gz PENRTHPDTJVXHQ-UHFFFAOYSA-N 1 1 321.341 -1.220 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccnn1 ZINC001437538255 928461951 /nfs/dbraw/zinc/46/19/51/928461951.db2.gz JXEYVJAOJSETLG-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccnn1 ZINC001437538255 928461957 /nfs/dbraw/zinc/46/19/57/928461957.db2.gz JXEYVJAOJSETLG-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437532633 928462465 /nfs/dbraw/zinc/46/24/65/928462465.db2.gz PYEUHTYDWJIWSL-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001437532633 928462468 /nfs/dbraw/zinc/46/24/68/928462468.db2.gz PYEUHTYDWJIWSL-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001437552473 928462476 /nfs/dbraw/zinc/46/24/76/928462476.db2.gz OVNZACJQULKHFT-UHFFFAOYSA-N 1 1 317.415 -1.141 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001437552473 928462478 /nfs/dbraw/zinc/46/24/78/928462478.db2.gz OVNZACJQULKHFT-UHFFFAOYSA-N 1 1 317.415 -1.141 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccnc2c1nnn2C)CC(N)=O ZINC001437614655 928464216 /nfs/dbraw/zinc/46/42/16/928464216.db2.gz GUTUNRUFPBNRFU-UHFFFAOYSA-N 1 1 305.342 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccnc2c1nnn2C)CC(N)=O ZINC001437614655 928464227 /nfs/dbraw/zinc/46/42/27/928464227.db2.gz GUTUNRUFPBNRFU-UHFFFAOYSA-N 1 1 305.342 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)C[C@@H](O)Cn1cccn1 ZINC001437611123 928464756 /nfs/dbraw/zinc/46/47/56/928464756.db2.gz AKFBZOXBUOTTEW-LLVKDONJSA-N 1 1 322.373 -1.481 20 0 DAADMO CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)Cn2ncnn2)C1=O ZINC001437597196 928465125 /nfs/dbraw/zinc/46/51/25/928465125.db2.gz FBQUUQUALMNOHX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1C)CC(=O)NC(N)=O ZINC001437615221 928465774 /nfs/dbraw/zinc/46/57/74/928465774.db2.gz PXMNWYPZWJCNKF-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1C)CC(=O)NC(N)=O ZINC001437615221 928465784 /nfs/dbraw/zinc/46/57/84/928465784.db2.gz PXMNWYPZWJCNKF-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001437567070 928465896 /nfs/dbraw/zinc/46/58/96/928465896.db2.gz WHNCMWLBIWJRPU-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001437567070 928465905 /nfs/dbraw/zinc/46/59/05/928465905.db2.gz WHNCMWLBIWJRPU-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649475 928467588 /nfs/dbraw/zinc/46/75/88/928467588.db2.gz ZWJTUNHPHSXTLA-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001437657236 928467684 /nfs/dbraw/zinc/46/76/84/928467684.db2.gz KLUGMMZRRFKMQD-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001437657236 928467688 /nfs/dbraw/zinc/46/76/88/928467688.db2.gz KLUGMMZRRFKMQD-SECBINFHSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001437674528 928468017 /nfs/dbraw/zinc/46/80/17/928468017.db2.gz AQUPZQBDTOZOHF-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437626685 928468346 /nfs/dbraw/zinc/46/83/46/928468346.db2.gz VRZPHTAKJURPDT-UHFFFAOYSA-N 1 1 322.369 -1.289 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)Cc1cnn(C)c1 ZINC001437641777 928468380 /nfs/dbraw/zinc/46/83/80/928468380.db2.gz QZVZWHAKCRRPNX-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)Cc1cnn(C)c1 ZINC001437641777 928468385 /nfs/dbraw/zinc/46/83/85/928468385.db2.gz QZVZWHAKCRRPNX-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccn(C)c1=O)CC(=O)NC(N)=O ZINC001437640579 928468472 /nfs/dbraw/zinc/46/84/72/928468472.db2.gz PEQJFAIPZJIMCA-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccn(C)c1=O)CC(=O)NC(N)=O ZINC001437640579 928468485 /nfs/dbraw/zinc/46/84/85/928468485.db2.gz PEQJFAIPZJIMCA-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437659071 928468975 /nfs/dbraw/zinc/46/89/75/928468975.db2.gz KFHQFMSOCADADG-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001437665397 928469224 /nfs/dbraw/zinc/46/92/24/928469224.db2.gz ZERQEQWYRUJBCT-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001437672389 928469244 /nfs/dbraw/zinc/46/92/44/928469244.db2.gz PQWOFEAZBDQGFS-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001437664368 928469874 /nfs/dbraw/zinc/46/98/74/928469874.db2.gz WUXISRYEKCRQLX-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001437705764 928471442 /nfs/dbraw/zinc/47/14/42/928471442.db2.gz NERFFGAPQLHEKD-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001437705764 928471453 /nfs/dbraw/zinc/47/14/53/928471453.db2.gz NERFFGAPQLHEKD-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001437695165 928471612 /nfs/dbraw/zinc/47/16/12/928471612.db2.gz GKRQMJSNNDIZKW-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001437695165 928471621 /nfs/dbraw/zinc/47/16/21/928471621.db2.gz GKRQMJSNNDIZKW-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001437684330 928471990 /nfs/dbraw/zinc/47/19/90/928471990.db2.gz XMSDQERSZDYOSH-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707918 928472108 /nfs/dbraw/zinc/47/21/08/928472108.db2.gz YHTSKJOFJHRBSP-UWVGGRQHSA-N 1 1 300.359 -1.098 20 0 DAADMO CCOCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001437706639 928472945 /nfs/dbraw/zinc/47/29/45/928472945.db2.gz ZDSPMLULPZPQRR-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCOC)C1 ZINC001437692937 928472772 /nfs/dbraw/zinc/47/27/72/928472772.db2.gz KDJQNAJQMNEYCO-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437707913 928473313 /nfs/dbraw/zinc/47/33/13/928473313.db2.gz YHTSKJOFJHRBSP-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001437680827 928473485 /nfs/dbraw/zinc/47/34/85/928473485.db2.gz WDBGMUQWFXGGQT-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)CC ZINC001437758518 928474290 /nfs/dbraw/zinc/47/42/90/928474290.db2.gz GVSRAFSAFPYAKD-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N(C)CC ZINC001437758518 928474295 /nfs/dbraw/zinc/47/42/95/928474295.db2.gz GVSRAFSAFPYAKD-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001437712410 928474878 /nfs/dbraw/zinc/47/48/78/928474878.db2.gz NVWWXDLPWYVDQT-NSHDSACASA-N 1 1 319.365 -1.265 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001437745131 928475042 /nfs/dbraw/zinc/47/50/42/928475042.db2.gz SWQGNYOXVRSMGY-LLVKDONJSA-N 1 1 309.374 -1.225 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001437715130 928475129 /nfs/dbraw/zinc/47/51/29/928475129.db2.gz MZZCGSUITWCWFH-NSHDSACASA-N 1 1 312.370 -1.971 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H](C)O ZINC001437758979 928475797 /nfs/dbraw/zinc/47/57/97/928475797.db2.gz KXURVFIQESORPV-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437727871 928475883 /nfs/dbraw/zinc/47/58/83/928475883.db2.gz OSODFYPQDLJQQI-MRVPVSSYSA-N 1 1 307.376 -3.036 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001437734546 928476000 /nfs/dbraw/zinc/47/60/00/928476000.db2.gz CCIWIGYQJTVUAS-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001437738862 928476680 /nfs/dbraw/zinc/47/66/80/928476680.db2.gz LBMQGEXUMCBDGR-LBPRGKRZSA-N 1 1 311.386 -1.025 20 0 DAADMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001437739693 928476763 /nfs/dbraw/zinc/47/67/63/928476763.db2.gz VKOILHOEOCOFPW-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803537 928478149 /nfs/dbraw/zinc/47/81/49/928478149.db2.gz KABSHQMWPCSZEZ-MNOVXSKESA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803537 928478155 /nfs/dbraw/zinc/47/81/55/928478155.db2.gz KABSHQMWPCSZEZ-MNOVXSKESA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803538 928479376 /nfs/dbraw/zinc/47/93/76/928479376.db2.gz KABSHQMWPCSZEZ-QWRGUYRKSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803538 928479382 /nfs/dbraw/zinc/47/93/82/928479382.db2.gz KABSHQMWPCSZEZ-QWRGUYRKSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001437944817 928483547 /nfs/dbraw/zinc/48/35/47/928483547.db2.gz NYKMNEJDVQSCCH-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001437877219 928484761 /nfs/dbraw/zinc/48/47/61/928484761.db2.gz HJOLRUCGYUNSFD-PHIMTYICSA-N 1 1 305.400 -1.277 20 0 DAADMO Cc1nn(CC(=O)NCC[C@H]2CC[N@@H+](CCO)C2)c(=O)n1C ZINC001437953763 928484813 /nfs/dbraw/zinc/48/48/13/928484813.db2.gz ROUPUHMGYQKHNI-LBPRGKRZSA-N 1 1 311.386 -1.289 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001437965878 928486334 /nfs/dbraw/zinc/48/63/34/928486334.db2.gz NBZFQBYAEJYFQL-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001437983383 928486781 /nfs/dbraw/zinc/48/67/81/928486781.db2.gz DPGBGLLIBOGVPZ-VXGBXAGGSA-N 1 1 316.402 -1.168 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001437990779 928487055 /nfs/dbraw/zinc/48/70/55/928487055.db2.gz OAFGPEFKOLJPHX-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001437988036 928487359 /nfs/dbraw/zinc/48/73/59/928487359.db2.gz IGQHLWVPGFOONU-JTQLQIEISA-N 1 1 310.358 -1.850 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001437986940 928487871 /nfs/dbraw/zinc/48/78/71/928487871.db2.gz VCFSEAGZYQGHSA-VHSXEESVSA-N 1 1 309.374 -1.132 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437985731 928488108 /nfs/dbraw/zinc/48/81/08/928488108.db2.gz NBHGJYQYRATCNM-SECBINFHSA-N 1 1 323.357 -1.596 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)c(=O)n1C ZINC001437984661 928488399 /nfs/dbraw/zinc/48/83/99/928488399.db2.gz FZCMQAYRKPBKBR-GFCCVEGCSA-N 1 1 311.386 -1.337 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN([C@H](C)C(=O)NC(=O)NC)C1 ZINC001438086933 928496080 /nfs/dbraw/zinc/49/60/80/928496080.db2.gz PIBFWFYBQKGXCW-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO O=C(NCC[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001438132620 928500004 /nfs/dbraw/zinc/50/00/04/928500004.db2.gz DJCHLAUCFDAPFS-LLVKDONJSA-N 1 1 309.370 -1.758 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CN3CCCNC3=O)C2)C1=O ZINC001438127025 928500396 /nfs/dbraw/zinc/50/03/96/928500396.db2.gz JFAUYGDAVOTYPK-LBPRGKRZSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1cc(C[NH+]2CC(CNC(=O)CN3CCOCC3=O)C2)cn1 ZINC001438126704 928500999 /nfs/dbraw/zinc/50/09/99/928500999.db2.gz DOBBBYYTOZODGO-UHFFFAOYSA-N 1 1 321.381 -1.173 20 0 DAADMO O=C(NCC[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001438132621 928502271 /nfs/dbraw/zinc/50/22/71/928502271.db2.gz DJCHLAUCFDAPFS-NSHDSACASA-N 1 1 309.370 -1.758 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001438163007 928503185 /nfs/dbraw/zinc/50/31/85/928503185.db2.gz RGKGQTDDJVTUNU-SRVKXCTJSA-N 1 1 306.366 -1.314 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001438163007 928503194 /nfs/dbraw/zinc/50/31/94/928503194.db2.gz RGKGQTDDJVTUNU-SRVKXCTJSA-N 1 1 306.366 -1.314 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(N)=O ZINC001438170268 928503338 /nfs/dbraw/zinc/50/33/38/928503338.db2.gz WIVJRTDQGFJWQE-XWLWVQCSSA-N 1 1 300.359 -1.664 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC ZINC001438169075 928504641 /nfs/dbraw/zinc/50/46/41/928504641.db2.gz QAWYWOMASVXJLL-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438184684 928506018 /nfs/dbraw/zinc/50/60/18/928506018.db2.gz OXFPFYISKKLGSA-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438184684 928506022 /nfs/dbraw/zinc/50/60/22/928506022.db2.gz OXFPFYISKKLGSA-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001438200385 928506489 /nfs/dbraw/zinc/50/64/89/928506489.db2.gz ILWRVFGBDJBCCY-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001438223861 928507279 /nfs/dbraw/zinc/50/72/79/928507279.db2.gz MOKDBYDOJYIOTJ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001438223861 928507287 /nfs/dbraw/zinc/50/72/87/928507287.db2.gz MOKDBYDOJYIOTJ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001438197382 928507882 /nfs/dbraw/zinc/50/78/82/928507882.db2.gz LOEALMVTCUMWRA-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001438226469 928509190 /nfs/dbraw/zinc/50/91/90/928509190.db2.gz VGJRYMWUFUAQJT-JTQLQIEISA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001438226469 928509195 /nfs/dbraw/zinc/50/91/95/928509195.db2.gz VGJRYMWUFUAQJT-JTQLQIEISA-N 1 1 313.358 -1.808 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001438234525 928509588 /nfs/dbraw/zinc/50/95/88/928509588.db2.gz WEPJQJHDMGEKED-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001438233361 928509662 /nfs/dbraw/zinc/50/96/62/928509662.db2.gz YTLGXQJCPUBGKX-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001438233361 928509669 /nfs/dbraw/zinc/50/96/69/928509669.db2.gz YTLGXQJCPUBGKX-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001438242847 928509768 /nfs/dbraw/zinc/50/97/68/928509768.db2.gz PCFDKNJJVPPGFJ-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001438233932 928509944 /nfs/dbraw/zinc/50/99/44/928509944.db2.gz SOJXDDCFCVDZPZ-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001438269648 928510115 /nfs/dbraw/zinc/51/01/15/928510115.db2.gz UKCKMECZUKRNRU-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001438269642 928510348 /nfs/dbraw/zinc/51/03/48/928510348.db2.gz UKCKMECZUKRNRU-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001438244728 928510658 /nfs/dbraw/zinc/51/06/58/928510658.db2.gz COXRXYMJKJJCJW-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001438244728 928510664 /nfs/dbraw/zinc/51/06/64/928510664.db2.gz COXRXYMJKJJCJW-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001438230774 928510828 /nfs/dbraw/zinc/51/08/28/928510828.db2.gz QSAIUBSWBNZGGB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438230774 928510840 /nfs/dbraw/zinc/51/08/40/928510840.db2.gz QSAIUBSWBNZGGB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001438234528 928510860 /nfs/dbraw/zinc/51/08/60/928510860.db2.gz WEPJQJHDMGEKED-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271304 928512575 /nfs/dbraw/zinc/51/25/75/928512575.db2.gz ZKRYXHWPDMURLD-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271304 928512583 /nfs/dbraw/zinc/51/25/83/928512583.db2.gz ZKRYXHWPDMURLD-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nonc1C ZINC001438338645 928512949 /nfs/dbraw/zinc/51/29/49/928512949.db2.gz FDEAZDSLJCLQTM-BDAKNGLRSA-N 1 1 324.341 -1.039 20 0 DAADMO CC[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1nnnn1C ZINC001438280898 928513106 /nfs/dbraw/zinc/51/31/06/928513106.db2.gz LMUBXYHAVWVTIW-SNVBAGLBSA-N 1 1 309.374 -1.279 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001438270455 928513176 /nfs/dbraw/zinc/51/31/76/928513176.db2.gz XGHVIKMVRFVAOT-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCS(C)(=O)=O ZINC001438368826 928516676 /nfs/dbraw/zinc/51/66/76/928516676.db2.gz IRDILJGBOBCOSC-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001438403106 928517203 /nfs/dbraw/zinc/51/72/03/928517203.db2.gz PMHOFJHMUHOOQO-ZJUUUORDSA-N 1 1 321.385 -1.150 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCC[C@@H](C)O)CCO1 ZINC001438573355 928524641 /nfs/dbraw/zinc/52/46/41/928524641.db2.gz TYBGWTOTJWLRIL-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCC[C@@H](C)O)CCO1 ZINC001438573355 928524648 /nfs/dbraw/zinc/52/46/48/928524648.db2.gz TYBGWTOTJWLRIL-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H](C)NC(N)=O)CC2 ZINC001438615672 928528214 /nfs/dbraw/zinc/52/82/14/928528214.db2.gz FCSNSRUAQTZAKK-VHSXEESVSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001438687505 928530567 /nfs/dbraw/zinc/53/05/67/928530567.db2.gz CPFONFDVMYEUFZ-SCZZXKLOSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CCn1cnnn1 ZINC001438702904 928531491 /nfs/dbraw/zinc/53/14/91/928531491.db2.gz RHDPWPLWIMDSCU-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001438690420 928532044 /nfs/dbraw/zinc/53/20/44/928532044.db2.gz HJVFBCDWTNPJHQ-SFYZADRCSA-N 1 1 324.345 -2.255 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001438690427 928532064 /nfs/dbraw/zinc/53/20/64/928532064.db2.gz HJVFBCDWTNPJHQ-YUMQZZPRSA-N 1 1 324.345 -2.255 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCc1cn(C)nn1 ZINC001438736372 928534389 /nfs/dbraw/zinc/53/43/89/928534389.db2.gz ZIWQDVDTLQGYCB-JTQLQIEISA-N 1 1 321.389 -1.092 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCNS(C)(=O)=O ZINC001438874106 928535997 /nfs/dbraw/zinc/53/59/97/928535997.db2.gz PLZWXSMBTVVASN-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCNS(C)(=O)=O ZINC001438874106 928536004 /nfs/dbraw/zinc/53/60/04/928536004.db2.gz PLZWXSMBTVVASN-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@H]1COCCO1 ZINC001438851675 928537285 /nfs/dbraw/zinc/53/72/85/928537285.db2.gz BZKBTXMGLUEKID-GFCCVEGCSA-N 1 1 314.386 -1.183 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001438864955 928537316 /nfs/dbraw/zinc/53/73/16/928537316.db2.gz HINSJZOCRRBWIC-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1 ZINC001438864955 928537320 /nfs/dbraw/zinc/53/73/20/928537320.db2.gz HINSJZOCRRBWIC-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001438922028 928539004 /nfs/dbraw/zinc/53/90/04/928539004.db2.gz OZUOLNJCHHQJQR-MRVPVSSYSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001438922028 928539013 /nfs/dbraw/zinc/53/90/13/928539013.db2.gz OZUOLNJCHHQJQR-MRVPVSSYSA-N 1 1 311.346 -1.598 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001438877580 928539042 /nfs/dbraw/zinc/53/90/42/928539042.db2.gz PYPOCNLHTCZYHV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001438877580 928539049 /nfs/dbraw/zinc/53/90/49/928539049.db2.gz PYPOCNLHTCZYHV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001438940610 928539242 /nfs/dbraw/zinc/53/92/42/928539242.db2.gz YYKIIHDCTPMDBB-SNVBAGLBSA-N 1 1 323.353 -1.622 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001438940610 928539249 /nfs/dbraw/zinc/53/92/49/928539249.db2.gz YYKIIHDCTPMDBB-SNVBAGLBSA-N 1 1 323.353 -1.622 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cnc(C(N)=O)n1 ZINC001438875806 928539568 /nfs/dbraw/zinc/53/95/68/928539568.db2.gz WMFAUCJXEJTXLT-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cnc(C(N)=O)n1 ZINC001438875806 928539576 /nfs/dbraw/zinc/53/95/76/928539576.db2.gz WMFAUCJXEJTXLT-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001438875240 928539838 /nfs/dbraw/zinc/53/98/38/928539838.db2.gz BERBPHAEDKNEGN-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CN(CC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001438889509 928540085 /nfs/dbraw/zinc/54/00/85/928540085.db2.gz SSAAPMCZVJVOPG-UHFFFAOYSA-N 1 1 318.403 -1.300 20 0 DAADMO CN(CC[N@@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001438889509 928540098 /nfs/dbraw/zinc/54/00/98/928540098.db2.gz SSAAPMCZVJVOPG-UHFFFAOYSA-N 1 1 318.403 -1.300 20 0 DAADMO CN(CC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1cnon1 ZINC001438923682 928540358 /nfs/dbraw/zinc/54/03/58/928540358.db2.gz ILSPHKMSEVXXSS-UHFFFAOYSA-N 1 1 319.387 -1.035 20 0 DAADMO CN(CC[N@@H+](C)CCN(C)S(C)(=O)=O)C(=O)c1cnon1 ZINC001438923682 928540367 /nfs/dbraw/zinc/54/03/67/928540367.db2.gz ILSPHKMSEVXXSS-UHFFFAOYSA-N 1 1 319.387 -1.035 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@H+](C)CC(=O)N1CCOCC1 ZINC001438901113 928540801 /nfs/dbraw/zinc/54/08/01/928540801.db2.gz WSJIUMPQOYZYRB-UHFFFAOYSA-N 1 1 324.385 -1.024 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001438901113 928540808 /nfs/dbraw/zinc/54/08/08/928540808.db2.gz WSJIUMPQOYZYRB-UHFFFAOYSA-N 1 1 324.385 -1.024 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001438879807 928541292 /nfs/dbraw/zinc/54/12/92/928541292.db2.gz XNMHDSBEACXJHK-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1ccn(C)n1 ZINC001438879807 928541302 /nfs/dbraw/zinc/54/13/02/928541302.db2.gz XNMHDSBEACXJHK-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001438902879 928541320 /nfs/dbraw/zinc/54/13/20/928541320.db2.gz QGDJIQDBCLHEPW-UHFFFAOYSA-N 1 1 322.369 -1.201 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1cnccc1=O ZINC001438929284 928541958 /nfs/dbraw/zinc/54/19/58/928541958.db2.gz DZGYOMBFYJBQGQ-NSHDSACASA-N 1 1 309.370 -1.103 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1cnccc1=O ZINC001438929284 928541962 /nfs/dbraw/zinc/54/19/62/928541962.db2.gz DZGYOMBFYJBQGQ-NSHDSACASA-N 1 1 309.370 -1.103 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001438901186 928541978 /nfs/dbraw/zinc/54/19/78/928541978.db2.gz KSGMMAPXNWXTML-UKKRHICBSA-N 1 1 312.370 -1.148 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001438901186 928541987 /nfs/dbraw/zinc/54/19/87/928541987.db2.gz KSGMMAPXNWXTML-UKKRHICBSA-N 1 1 312.370 -1.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001438942176 928542084 /nfs/dbraw/zinc/54/20/84/928542084.db2.gz WRKRJWNMVCRCDJ-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001438942176 928542094 /nfs/dbraw/zinc/54/20/94/928542094.db2.gz WRKRJWNMVCRCDJ-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnccn2)nn1 ZINC001438958986 928543357 /nfs/dbraw/zinc/54/33/57/928543357.db2.gz SEIXDQDRWHCIGT-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001438957980 928543565 /nfs/dbraw/zinc/54/35/65/928543565.db2.gz QAQVSEFMXLIJKV-GZMMTYOYSA-N 1 1 324.385 -1.227 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001438957989 928543591 /nfs/dbraw/zinc/54/35/91/928543591.db2.gz QAQVSEFMXLIJKV-KWQFWETISA-N 1 1 324.385 -1.227 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnccn2)nn1 ZINC001438958989 928544112 /nfs/dbraw/zinc/54/41/12/928544112.db2.gz SEIXDQDRWHCIGT-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001438956810 928544745 /nfs/dbraw/zinc/54/47/45/928544745.db2.gz MOWNRDQAUVDKQY-GHMZBOCLSA-N 1 1 312.374 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCNC(N)=O)CC[C@@H]21 ZINC001438952572 928544959 /nfs/dbraw/zinc/54/49/59/928544959.db2.gz QLWBZKZFXTYUFN-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCNC(N)=O)n1 ZINC001438956813 928545017 /nfs/dbraw/zinc/54/50/17/928545017.db2.gz DXFJHJIPXZYECC-UWVGGRQHSA-N 1 1 324.389 -1.357 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cccn1)c1nnnn1C ZINC001438964911 928545959 /nfs/dbraw/zinc/54/59/59/928545959.db2.gz CLRKYVVWMSNSTL-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)nc1 ZINC001438966480 928547872 /nfs/dbraw/zinc/54/78/72/928547872.db2.gz CGOVUYHKRSUTOD-NEPJUHHUSA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001438978173 928554430 /nfs/dbraw/zinc/55/44/30/928554430.db2.gz CNCOQYZFUNKZAD-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001438980545 928554650 /nfs/dbraw/zinc/55/46/50/928554650.db2.gz YWQITIPGCJWECM-WCBMZHEXSA-N 1 1 313.362 -2.184 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001438983602 928556041 /nfs/dbraw/zinc/55/60/41/928556041.db2.gz SZSWLCGGEULWMJ-SNVBAGLBSA-N 1 1 308.346 -1.638 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001438982243 928556646 /nfs/dbraw/zinc/55/66/46/928556646.db2.gz KLUBKPBVOCTGDS-NEPJUHHUSA-N 1 1 300.403 -1.328 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)COC(C)(C)C ZINC001438982824 928556934 /nfs/dbraw/zinc/55/69/34/928556934.db2.gz LDLNODSLWXELQA-SECBINFHSA-N 1 1 300.363 -1.408 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001438987572 928558725 /nfs/dbraw/zinc/55/87/25/928558725.db2.gz XDZOMUKNRZAHSP-VIFPVBQESA-N 1 1 313.362 -2.299 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001438988134 928558800 /nfs/dbraw/zinc/55/88/00/928558800.db2.gz ZYTBRAMPLNXORL-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001438991782 928561102 /nfs/dbraw/zinc/56/11/02/928561102.db2.gz LKUZMZWRMKLEIW-SECBINFHSA-N 1 1 322.325 -1.648 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnc3n2CCC3)nn1 ZINC001438991613 928561560 /nfs/dbraw/zinc/56/15/60/928561560.db2.gz KMADIUGVBPGBPT-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001438991798 928562070 /nfs/dbraw/zinc/56/20/70/928562070.db2.gz LKUZMZWRMKLEIW-VIFPVBQESA-N 1 1 322.325 -1.648 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001438990971 928562302 /nfs/dbraw/zinc/56/23/02/928562302.db2.gz HUVKHIYIOQQDRY-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438994796 928564540 /nfs/dbraw/zinc/56/45/40/928564540.db2.gz NCPCECFOICGWNE-ZJUUUORDSA-N 1 1 316.383 -1.090 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001438995334 928564938 /nfs/dbraw/zinc/56/49/38/928564938.db2.gz UVEAMFPAGXVNCY-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001439001021 928566820 /nfs/dbraw/zinc/56/68/20/928566820.db2.gz LQVZEZSYHPWUFI-NXEZZACHSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001439001032 928567583 /nfs/dbraw/zinc/56/75/83/928567583.db2.gz LQVZEZSYHPWUFI-ZJUUUORDSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@H]2CCCN(C)C2=O)n[nH]1 ZINC001438996593 928567753 /nfs/dbraw/zinc/56/77/53/928567753.db2.gz PSDKGMTYGHZDMK-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCCC1=O ZINC001439003042 928568320 /nfs/dbraw/zinc/56/83/20/928568320.db2.gz QTIXUBPQIUQCAP-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1cc(CNC[C@H](O)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001439004105 928569600 /nfs/dbraw/zinc/56/96/00/928569600.db2.gz MREUIJDLSPWJDH-ZDUSSCGKSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001439009607 928572233 /nfs/dbraw/zinc/57/22/33/928572233.db2.gz DXQSHRAVBUWSEZ-ONGXEEELSA-N 1 1 311.342 -1.434 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001439009590 928572472 /nfs/dbraw/zinc/57/24/72/928572472.db2.gz OTGISGBKBJZOEF-NSHDSACASA-N 1 1 318.399 -1.579 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439010725 928573988 /nfs/dbraw/zinc/57/39/88/928573988.db2.gz HZWNFWBJMJLAOR-QMMMGPOBSA-N 1 1 309.330 -1.865 20 0 DAADMO Cc1noc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001439015344 928578015 /nfs/dbraw/zinc/57/80/15/928578015.db2.gz JOFZOMAUGKTRCA-SNVBAGLBSA-N 1 1 323.357 -1.294 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(F)CCOC2)[nH]1 ZINC001439016800 928578127 /nfs/dbraw/zinc/57/81/27/928578127.db2.gz QMNZHWNFTSSODV-JOYOIKCWSA-N 1 1 301.322 -1.192 20 0 DAADMO O=C(Cc1cnoc1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001439027227 928582513 /nfs/dbraw/zinc/58/25/13/928582513.db2.gz XBYZDNSRVHHCQD-LLVKDONJSA-N 1 1 321.341 -1.195 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nonc2C)n1 ZINC001439030170 928582542 /nfs/dbraw/zinc/58/25/42/928582542.db2.gz DWOVDJWTBNTOEV-NSHDSACASA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1nocc1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001439026561 928583447 /nfs/dbraw/zinc/58/34/47/928583447.db2.gz OPDYJLRQWWCAOT-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc1 ZINC001439026496 928583678 /nfs/dbraw/zinc/58/36/78/928583678.db2.gz OKKIOVRLLHVUTN-UWVGGRQHSA-N 1 1 308.342 -1.967 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001439028490 928583753 /nfs/dbraw/zinc/58/37/53/928583753.db2.gz ZQEVVKGTDLAXSD-XXFSISAASA-N 1 1 310.358 -1.770 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnccn1 ZINC001439034726 928585296 /nfs/dbraw/zinc/58/52/96/928585296.db2.gz NGMINRUQTIRTBW-NSHDSACASA-N 1 1 320.357 -1.800 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1(C)CCOCC1 ZINC001439037347 928585917 /nfs/dbraw/zinc/58/59/17/928585917.db2.gz YVQVVYGQCYVILW-JTQLQIEISA-N 1 1 312.374 -1.407 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001439037020 928586107 /nfs/dbraw/zinc/58/61/07/928586107.db2.gz UKPDYQPHTZQEGZ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001439036535 928586460 /nfs/dbraw/zinc/58/64/60/928586460.db2.gz FKWMPYGJAUTNJL-SNVBAGLBSA-N 1 1 310.358 -1.964 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001439038724 928587565 /nfs/dbraw/zinc/58/75/65/928587565.db2.gz LEADGFZPMPKUIS-LLVKDONJSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439037617 928587591 /nfs/dbraw/zinc/58/75/91/928587591.db2.gz ZUKBXYZLMMGOIF-RKDXNWHRSA-N 1 1 311.346 -2.555 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439042306 928587642 /nfs/dbraw/zinc/58/76/42/928587642.db2.gz QAKUTGLLNJXMFX-NXEZZACHSA-N 1 1 312.374 -1.260 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439042306 928587654 /nfs/dbraw/zinc/58/76/54/928587654.db2.gz QAKUTGLLNJXMFX-NXEZZACHSA-N 1 1 312.374 -1.260 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1ccncn1 ZINC001439043165 928587963 /nfs/dbraw/zinc/58/79/63/928587963.db2.gz RHAUNIRFLUYFDF-SNVBAGLBSA-N 1 1 323.332 -1.082 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439041216 928588554 /nfs/dbraw/zinc/58/85/54/928588554.db2.gz NTMRHYPZLDPBSJ-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439041216 928588564 /nfs/dbraw/zinc/58/85/64/928588564.db2.gz NTMRHYPZLDPBSJ-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO COCc1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001439042536 928588700 /nfs/dbraw/zinc/58/87/00/928588700.db2.gz SZYNMDCVUNHETO-SECBINFHSA-N 1 1 324.341 -1.170 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439040496 928589585 /nfs/dbraw/zinc/58/95/85/928589585.db2.gz BHCGCLZWJCGKPJ-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001439047580 928590686 /nfs/dbraw/zinc/59/06/86/928590686.db2.gz SDXJNGGLSMUFKY-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1)c1nncn1C ZINC001439050542 928593353 /nfs/dbraw/zinc/59/33/53/928593353.db2.gz ZEUXBBPZYDZECP-ZJUUUORDSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)[nH]1 ZINC001439050172 928593508 /nfs/dbraw/zinc/59/35/08/928593508.db2.gz DOGWTPMLTSEJGX-SECBINFHSA-N 1 1 323.357 -1.969 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001439050072 928594030 /nfs/dbraw/zinc/59/40/30/928594030.db2.gz DDEKPVRWLZAPRP-NSHDSACASA-N 1 1 322.373 -1.628 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)n1 ZINC001439055387 928594988 /nfs/dbraw/zinc/59/49/88/928594988.db2.gz SLEDPXRPYYFDDM-NSHDSACASA-N 1 1 308.346 -1.844 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1)c1nncn1C ZINC001439050176 928595166 /nfs/dbraw/zinc/59/51/66/928595166.db2.gz ZEUXBBPZYDZECP-NXEZZACHSA-N 1 1 307.358 -1.010 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001439079379 928595909 /nfs/dbraw/zinc/59/59/09/928595909.db2.gz OAHVVBBOXAZBPJ-ZJUUUORDSA-N 1 1 309.374 -1.004 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)[C@H]1CCc2nncn2C1 ZINC001439062922 928596277 /nfs/dbraw/zinc/59/62/77/928596277.db2.gz XRXOFLOVWWWJPO-ONGXEEELSA-N 1 1 321.341 -1.510 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@H]1CCC(=O)N1C ZINC001439151942 928601568 /nfs/dbraw/zinc/60/15/68/928601568.db2.gz SRWCXSVLNXPPMV-KXUCPTDWSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001439156146 928601658 /nfs/dbraw/zinc/60/16/58/928601658.db2.gz OHIBZZMQRBVVRL-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)c1ncn[nH]1 ZINC001439162777 928604171 /nfs/dbraw/zinc/60/41/71/928604171.db2.gz VLNYDITZUYWKPS-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)c1nc[nH]n1 ZINC001439162777 928604177 /nfs/dbraw/zinc/60/41/77/928604177.db2.gz VLNYDITZUYWKPS-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001439228997 928606425 /nfs/dbraw/zinc/60/64/25/928606425.db2.gz XAEZPRGGVPPGQF-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCN(C)C1=O ZINC001439221958 928606450 /nfs/dbraw/zinc/60/64/50/928606450.db2.gz ULIBNZFDMRFFIN-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325724 928612909 /nfs/dbraw/zinc/61/29/09/928612909.db2.gz AJAMGGJTJJPTCN-MNOVXSKESA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325724 928612914 /nfs/dbraw/zinc/61/29/14/928612914.db2.gz AJAMGGJTJJPTCN-MNOVXSKESA-N 1 1 316.402 -1.338 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330553 928613012 /nfs/dbraw/zinc/61/30/12/928613012.db2.gz LSDDPQWERGGQNO-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330553 928613020 /nfs/dbraw/zinc/61/30/20/928613020.db2.gz LSDDPQWERGGQNO-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)C1=COCCO1 ZINC001439297518 928613058 /nfs/dbraw/zinc/61/30/58/928613058.db2.gz YVAQOSKRSMAYKX-SNVBAGLBSA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)C1=COCCO1 ZINC001439297518 928613066 /nfs/dbraw/zinc/61/30/66/928613066.db2.gz YVAQOSKRSMAYKX-SNVBAGLBSA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001439316881 928613097 /nfs/dbraw/zinc/61/30/97/928613097.db2.gz FLDZEXCWRWMXHD-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001439316881 928613102 /nfs/dbraw/zinc/61/31/02/928613102.db2.gz FLDZEXCWRWMXHD-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001439295106 928613320 /nfs/dbraw/zinc/61/33/20/928613320.db2.gz BTICMYBMOSIKII-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001439297879 928613873 /nfs/dbraw/zinc/61/38/73/928613873.db2.gz NIHWWKGDKIHGGI-DGCLKSJQSA-N 1 1 311.386 -1.183 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439329415 928613907 /nfs/dbraw/zinc/61/39/07/928613907.db2.gz AGHNOBQIBWKQEI-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439329415 928613915 /nfs/dbraw/zinc/61/39/15/928613915.db2.gz AGHNOBQIBWKQEI-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322670 928614175 /nfs/dbraw/zinc/61/41/75/928614175.db2.gz UVJWPHHJEPXYOD-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322670 928614183 /nfs/dbraw/zinc/61/41/83/928614183.db2.gz UVJWPHHJEPXYOD-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357184 928616358 /nfs/dbraw/zinc/61/63/58/928616358.db2.gz HCLWNDVULQHGQW-RKDXNWHRSA-N 1 1 323.419 -2.389 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357184 928616366 /nfs/dbraw/zinc/61/63/66/928616366.db2.gz HCLWNDVULQHGQW-RKDXNWHRSA-N 1 1 323.419 -2.389 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439373412 928616408 /nfs/dbraw/zinc/61/64/08/928616408.db2.gz LVPAWARWJQLIGD-MNOVXSKESA-N 1 1 322.369 -1.082 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355064 928616886 /nfs/dbraw/zinc/61/68/86/928616886.db2.gz DGWWOGGRURUIFE-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1ncn(C)c1=O ZINC001439355064 928616892 /nfs/dbraw/zinc/61/68/92/928616892.db2.gz DGWWOGGRURUIFE-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357173 928616984 /nfs/dbraw/zinc/61/69/84/928616984.db2.gz HCLWNDVULQHGQW-IUCAKERBSA-N 1 1 323.419 -2.389 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001439357173 928616995 /nfs/dbraw/zinc/61/69/95/928616995.db2.gz HCLWNDVULQHGQW-IUCAKERBSA-N 1 1 323.419 -2.389 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001439378183 928618084 /nfs/dbraw/zinc/61/80/84/928618084.db2.gz JMELKUITEMXDIB-SNVBAGLBSA-N 1 1 312.370 -1.220 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001439402284 928618276 /nfs/dbraw/zinc/61/82/76/928618276.db2.gz DZQWWGXWWDGSEX-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001439402284 928618282 /nfs/dbraw/zinc/61/82/82/928618282.db2.gz DZQWWGXWWDGSEX-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001439395657 928618724 /nfs/dbraw/zinc/61/87/24/928618724.db2.gz CZNPJNPLCHTTLA-WPRPVWTQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001439395657 928618736 /nfs/dbraw/zinc/61/87/36/928618736.db2.gz CZNPJNPLCHTTLA-WPRPVWTQSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001439407135 928619102 /nfs/dbraw/zinc/61/91/02/928619102.db2.gz JNULIYXWVQCBJV-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001439407135 928619107 /nfs/dbraw/zinc/61/91/07/928619107.db2.gz JNULIYXWVQCBJV-SECBINFHSA-N 1 1 305.342 -1.411 20 0 DAADMO CNC(=O)CN(C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439383405 928619304 /nfs/dbraw/zinc/61/93/04/928619304.db2.gz FZVVZYGIELGJPQ-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1cnn(C)n1 ZINC001439384517 928619412 /nfs/dbraw/zinc/61/94/12/928619412.db2.gz IHJJHHGUGPGGMC-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1cnn(C)n1 ZINC001439384515 928619737 /nfs/dbraw/zinc/61/97/37/928619737.db2.gz IHJJHHGUGPGGMC-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001439395045 928619841 /nfs/dbraw/zinc/61/98/41/928619841.db2.gz CZNPJNPLCHTTLA-SCZZXKLOSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001439395045 928619847 /nfs/dbraw/zinc/61/98/47/928619847.db2.gz CZNPJNPLCHTTLA-SCZZXKLOSA-N 1 1 301.391 -1.009 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001439460848 928621241 /nfs/dbraw/zinc/62/12/41/928621241.db2.gz YBRYEXTXCJQUNJ-GFCCVEGCSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001439512798 928623579 /nfs/dbraw/zinc/62/35/79/928623579.db2.gz HUOZDYWRLCBGAF-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001439547991 928628642 /nfs/dbraw/zinc/62/86/42/928628642.db2.gz IOQWSNZDVUKFDX-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439540882 928628866 /nfs/dbraw/zinc/62/88/66/928628866.db2.gz VEXVVZIODSEWCO-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001439571024 928630835 /nfs/dbraw/zinc/63/08/35/928630835.db2.gz KFKMATOTSANKTB-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001439585215 928631072 /nfs/dbraw/zinc/63/10/72/928631072.db2.gz QOHNLXXBRQVCHK-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001439596009 928633779 /nfs/dbraw/zinc/63/37/79/928633779.db2.gz RBBFHJKJSWPOID-UHFFFAOYSA-N 1 1 310.358 -1.675 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001439635112 928633831 /nfs/dbraw/zinc/63/38/31/928633831.db2.gz RYXYWBAADQYAGV-MRVPVSSYSA-N 1 1 310.358 -1.642 20 0 DAADMO Cn1[nH]c(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC001439666453 928636499 /nfs/dbraw/zinc/63/64/99/928636499.db2.gz FDFPOXSXSBZMJL-SNVBAGLBSA-N 1 1 308.386 -1.202 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001439728797 928638994 /nfs/dbraw/zinc/63/89/94/928638994.db2.gz OYZOXCVYQOGXSY-LBPRGKRZSA-N 1 1 317.386 -1.759 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC001439719203 928639564 /nfs/dbraw/zinc/63/95/64/928639564.db2.gz CZESCBDFPNRKLX-ZDUSSCGKSA-N 1 1 322.325 -1.198 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)c3cnon3)C2)C1 ZINC001439719203 928639566 /nfs/dbraw/zinc/63/95/66/928639566.db2.gz CZESCBDFPNRKLX-ZDUSSCGKSA-N 1 1 322.325 -1.198 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439756526 928640663 /nfs/dbraw/zinc/64/06/63/928640663.db2.gz HGQFJXFRVKDRQG-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001439746815 928640863 /nfs/dbraw/zinc/64/08/63/928640863.db2.gz SORMIIUPUBMCCZ-NSHDSACASA-N 1 1 323.415 -1.795 20 0 DAADMO CN(CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1)S(C)(=O)=O ZINC001439792993 928642566 /nfs/dbraw/zinc/64/25/66/928642566.db2.gz IBPLBYIZTHEBNB-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)COC)CC2)C1 ZINC001439825450 928642676 /nfs/dbraw/zinc/64/26/76/928642676.db2.gz CIJWZTNEJZDXLK-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001439807129 928643303 /nfs/dbraw/zinc/64/33/03/928643303.db2.gz XNUMEQDDKQMJPE-SNVBAGLBSA-N 1 1 311.386 -1.225 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001439767159 928643378 /nfs/dbraw/zinc/64/33/78/928643378.db2.gz MNIQSXDUJCACPB-SECBINFHSA-N 1 1 311.346 -1.353 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439827134 928643452 /nfs/dbraw/zinc/64/34/52/928643452.db2.gz HWVPSUCNEGSQCS-GXTWGEPZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439827156 928644957 /nfs/dbraw/zinc/64/49/57/928644957.db2.gz HWVPSUCNEGSQCS-JSGCOSHPSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001439839460 928645340 /nfs/dbraw/zinc/64/53/40/928645340.db2.gz UWNDJHZVOHRIJI-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001439839460 928645345 /nfs/dbraw/zinc/64/53/45/928645345.db2.gz UWNDJHZVOHRIJI-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n1 ZINC001439845284 928645395 /nfs/dbraw/zinc/64/53/95/928645395.db2.gz FLMXAKNYRZBAIQ-OAHLLOKOSA-N 1 1 321.381 -1.074 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n1 ZINC001439845284 928645403 /nfs/dbraw/zinc/64/54/03/928645403.db2.gz FLMXAKNYRZBAIQ-OAHLLOKOSA-N 1 1 321.381 -1.074 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)CCOC)CC2)C1 ZINC001439829566 928645533 /nfs/dbraw/zinc/64/55/33/928645533.db2.gz MWGNUJQZIFEJBP-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439841680 928645599 /nfs/dbraw/zinc/64/55/99/928645599.db2.gz CKUDSIMYKUHJDD-ZDUSSCGKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439841680 928645603 /nfs/dbraw/zinc/64/56/03/928645603.db2.gz CKUDSIMYKUHJDD-ZDUSSCGKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001439846550 928645675 /nfs/dbraw/zinc/64/56/75/928645675.db2.gz OHVKFVNVQJTSLB-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n1 ZINC001439845279 928645697 /nfs/dbraw/zinc/64/56/97/928645697.db2.gz FLMXAKNYRZBAIQ-HNNXBMFYSA-N 1 1 321.381 -1.074 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n1 ZINC001439845279 928645706 /nfs/dbraw/zinc/64/57/06/928645706.db2.gz FLMXAKNYRZBAIQ-HNNXBMFYSA-N 1 1 321.381 -1.074 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001439827161 928645751 /nfs/dbraw/zinc/64/57/51/928645751.db2.gz HWVPSUCNEGSQCS-OCCSQVGLSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001439837460 928645846 /nfs/dbraw/zinc/64/58/46/928645846.db2.gz YJYUCEFEKZBMGG-QMTHXVAHSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001439844990 928645935 /nfs/dbraw/zinc/64/59/35/928645935.db2.gz AENBRTREPPAHNC-NSHDSACASA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001439844990 928645943 /nfs/dbraw/zinc/64/59/43/928645943.db2.gz AENBRTREPPAHNC-NSHDSACASA-N 1 1 310.395 -1.068 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001439840526 928646051 /nfs/dbraw/zinc/64/60/51/928646051.db2.gz YQDTWLWBKYDKQK-CQSZACIVSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001439854072 928646081 /nfs/dbraw/zinc/64/60/81/928646081.db2.gz ZEJANCZSAUWRQN-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838652 928646340 /nfs/dbraw/zinc/64/63/40/928646340.db2.gz SBKYNDRVTMUNIB-QMTHXVAHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838652 928646348 /nfs/dbraw/zinc/64/63/48/928646348.db2.gz SBKYNDRVTMUNIB-QMTHXVAHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439844640 928646730 /nfs/dbraw/zinc/64/67/30/928646730.db2.gz MEQURIFYAOULQQ-PWSUYJOCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848775 928646801 /nfs/dbraw/zinc/64/68/01/928646801.db2.gz IQQKDXVHBOQROH-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848064 928646931 /nfs/dbraw/zinc/64/69/31/928646931.db2.gz IDXNELIZGWSMQA-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CNC(=O)OC)C1 ZINC001439830371 928646984 /nfs/dbraw/zinc/64/69/84/928646984.db2.gz BCXAKGHGVOCCFJ-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO C[C@]1(NC(=O)CN2CCNC(=O)C2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439860608 928648260 /nfs/dbraw/zinc/64/82/60/928648260.db2.gz VAEXTALWVWEXLO-ABAIWWIYSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@]1(NC(=O)CN2CCNC(=O)C2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439860608 928648265 /nfs/dbraw/zinc/64/82/65/928648265.db2.gz VAEXTALWVWEXLO-ABAIWWIYSA-N 1 1 323.397 -2.113 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439857183 928648481 /nfs/dbraw/zinc/64/84/81/928648481.db2.gz SNYHIGDWVFNFOC-CQSZACIVSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439857183 928648485 /nfs/dbraw/zinc/64/84/85/928648485.db2.gz SNYHIGDWVFNFOC-CQSZACIVSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439857177 928648561 /nfs/dbraw/zinc/64/85/61/928648561.db2.gz SNYHIGDWVFNFOC-AWEZNQCLSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439857177 928648565 /nfs/dbraw/zinc/64/85/65/928648565.db2.gz SNYHIGDWVFNFOC-AWEZNQCLSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@]1(NC(=O)CN2CCNC(=O)C2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439860616 928648632 /nfs/dbraw/zinc/64/86/32/928648632.db2.gz VAEXTALWVWEXLO-NHYWBVRUSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@]1(NC(=O)CN2CCNC(=O)C2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439860616 928648636 /nfs/dbraw/zinc/64/86/36/928648636.db2.gz VAEXTALWVWEXLO-NHYWBVRUSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001439928368 928648986 /nfs/dbraw/zinc/64/89/86/928648986.db2.gz BSLOIPGANKMKIE-GXFFZTMASA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439874592 928649027 /nfs/dbraw/zinc/64/90/27/928649027.db2.gz YETWDZPSEPGYLY-SDBXPKJASA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439874592 928649037 /nfs/dbraw/zinc/64/90/37/928649037.db2.gz YETWDZPSEPGYLY-SDBXPKJASA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439859824 928649479 /nfs/dbraw/zinc/64/94/79/928649479.db2.gz TVEKYNSNINMHQP-OCYKMNHNSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439859824 928649490 /nfs/dbraw/zinc/64/94/90/928649490.db2.gz TVEKYNSNINMHQP-OCYKMNHNSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439874591 928649588 /nfs/dbraw/zinc/64/95/88/928649588.db2.gz YETWDZPSEPGYLY-ISVAXAHUSA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439874591 928649595 /nfs/dbraw/zinc/64/95/95/928649595.db2.gz YETWDZPSEPGYLY-ISVAXAHUSA-N 1 1 311.342 -1.960 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001439977555 928650652 /nfs/dbraw/zinc/65/06/52/928650652.db2.gz FNMZQOMNOCNUJA-ABAIWWIYSA-N 1 1 323.397 -1.350 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnsn1 ZINC001439976268 928650721 /nfs/dbraw/zinc/65/07/21/928650721.db2.gz CQJXFUZJKSEGTK-LBPRGKRZSA-N 1 1 323.382 -1.004 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)N1CCOCC1 ZINC001439976662 928651403 /nfs/dbraw/zinc/65/14/03/928651403.db2.gz LGHLSPJDILZFNK-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1)N1CCOCC1 ZINC001439976662 928651413 /nfs/dbraw/zinc/65/14/13/928651413.db2.gz LGHLSPJDILZFNK-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001439975056 928651666 /nfs/dbraw/zinc/65/16/66/928651666.db2.gz CGGLSSTZXIMPIY-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001439975056 928651673 /nfs/dbraw/zinc/65/16/73/928651673.db2.gz CGGLSSTZXIMPIY-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001439975050 928651830 /nfs/dbraw/zinc/65/18/30/928651830.db2.gz CGGLSSTZXIMPIY-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001439975050 928651834 /nfs/dbraw/zinc/65/18/34/928651834.db2.gz CGGLSSTZXIMPIY-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980384 928653267 /nfs/dbraw/zinc/65/32/67/928653267.db2.gz WBTMLJJCCGJKKH-IUODEOHRSA-N 1 1 309.366 -1.225 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980384 928653276 /nfs/dbraw/zinc/65/32/76/928653276.db2.gz WBTMLJJCCGJKKH-IUODEOHRSA-N 1 1 309.366 -1.225 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001439980210 928653355 /nfs/dbraw/zinc/65/33/55/928653355.db2.gz IKKOKTAQZYHXJG-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001439980210 928653360 /nfs/dbraw/zinc/65/33/60/928653360.db2.gz IKKOKTAQZYHXJG-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001439978216 928653980 /nfs/dbraw/zinc/65/39/80/928653980.db2.gz WEOVGPKYROSRCW-RNCFNFMXSA-N 1 1 300.359 -1.077 20 0 DAADMO CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001439978216 928653990 /nfs/dbraw/zinc/65/39/90/928653990.db2.gz WEOVGPKYROSRCW-RNCFNFMXSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001439980710 928654321 /nfs/dbraw/zinc/65/43/21/928654321.db2.gz UYNQOAPOFZMCIF-XHDPSFHLSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001439980710 928654329 /nfs/dbraw/zinc/65/43/29/928654329.db2.gz UYNQOAPOFZMCIF-XHDPSFHLSA-N 1 1 323.397 -1.002 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)C(F)F ZINC001439978407 928654372 /nfs/dbraw/zinc/65/43/72/928654372.db2.gz NRQGNPLRSFNZGW-GFCCVEGCSA-N 1 1 306.313 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982999 928654806 /nfs/dbraw/zinc/65/48/06/928654806.db2.gz SOKZNVUFJKXUFV-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439982999 928654813 /nfs/dbraw/zinc/65/48/13/928654813.db2.gz SOKZNVUFJKXUFV-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccn[nH]1 ZINC001439982413 928654827 /nfs/dbraw/zinc/65/48/27/928654827.db2.gz KYBXDLPJTKZLCX-FZMZJTMJSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)C(F)F ZINC001439978409 928655103 /nfs/dbraw/zinc/65/51/03/928655103.db2.gz NRQGNPLRSFNZGW-LBPRGKRZSA-N 1 1 306.313 -1.170 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2cncs2)C1 ZINC001439983469 928656589 /nfs/dbraw/zinc/65/65/89/928656589.db2.gz QZJMSMVSTUOTFN-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2cncs2)C1 ZINC001439983469 928656594 /nfs/dbraw/zinc/65/65/94/928656594.db2.gz QZJMSMVSTUOTFN-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001439983088 928656616 /nfs/dbraw/zinc/65/66/16/928656616.db2.gz YWDVEAFZXVXROU-RNCFNFMXSA-N 1 1 300.359 -2.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001439983088 928656623 /nfs/dbraw/zinc/65/66/23/928656623.db2.gz YWDVEAFZXVXROU-RNCFNFMXSA-N 1 1 300.359 -2.190 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001439987960 928656736 /nfs/dbraw/zinc/65/67/36/928656736.db2.gz FBSVCUWQHUMKEH-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001439987960 928656740 /nfs/dbraw/zinc/65/67/40/928656740.db2.gz FBSVCUWQHUMKEH-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001439987587 928656766 /nfs/dbraw/zinc/65/67/66/928656766.db2.gz YDMXEQDUGHALJE-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001439987958 928656860 /nfs/dbraw/zinc/65/68/60/928656860.db2.gz FBSVCUWQHUMKEH-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001439987958 928656865 /nfs/dbraw/zinc/65/68/65/928656865.db2.gz FBSVCUWQHUMKEH-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439986151 928656916 /nfs/dbraw/zinc/65/69/16/928656916.db2.gz BHWOLDVCDYWQAM-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439986151 928656923 /nfs/dbraw/zinc/65/69/23/928656923.db2.gz BHWOLDVCDYWQAM-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1occc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439984722 928657206 /nfs/dbraw/zinc/65/72/06/928657206.db2.gz UZBANRSKXUJCBD-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1occc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439984722 928657213 /nfs/dbraw/zinc/65/72/13/928657213.db2.gz UZBANRSKXUJCBD-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cnc2n[nH]nc2c1 ZINC001439985672 928657492 /nfs/dbraw/zinc/65/74/92/928657492.db2.gz CGOAGHACTUFHJF-CQSZACIVSA-N 1 1 320.353 -1.098 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001439987590 928657589 /nfs/dbraw/zinc/65/75/89/928657589.db2.gz YDMXEQDUGHALJE-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001439987953 928658513 /nfs/dbraw/zinc/65/85/13/928658513.db2.gz FBSVCUWQHUMKEH-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001439987953 928658520 /nfs/dbraw/zinc/65/85/20/928658520.db2.gz FBSVCUWQHUMKEH-HZMBPMFUSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001439991936 928659548 /nfs/dbraw/zinc/65/95/48/928659548.db2.gz NQJAFFIISJXJEX-FZMZJTMJSA-N 1 1 322.369 -1.740 20 0 DAADMO COCCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)n1 ZINC001439997238 928660177 /nfs/dbraw/zinc/66/01/77/928660177.db2.gz HDGCEFXJWZKTII-CQSZACIVSA-N 1 1 312.370 -1.312 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995254 928660393 /nfs/dbraw/zinc/66/03/93/928660393.db2.gz XGJZVHOMLDLUTP-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995254 928660402 /nfs/dbraw/zinc/66/04/02/928660402.db2.gz XGJZVHOMLDLUTP-QMTHXVAHSA-N 1 1 321.337 -1.763 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992034 928660666 /nfs/dbraw/zinc/66/06/66/928660666.db2.gz WZVYURRYRLHDPL-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992034 928660671 /nfs/dbraw/zinc/66/06/71/928660671.db2.gz WZVYURRYRLHDPL-BONVTDFDSA-N 1 1 321.381 -1.130 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001439991932 928661139 /nfs/dbraw/zinc/66/11/39/928661139.db2.gz NQJAFFIISJXJEX-BXUZGUMPSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)cc1=O ZINC001439990813 928661239 /nfs/dbraw/zinc/66/12/39/928661239.db2.gz HXRDKSDRZJKPPL-CQSZACIVSA-N 1 1 310.354 -1.671 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439990904 928661306 /nfs/dbraw/zinc/66/13/06/928661306.db2.gz PLDCFKHKQPAEPQ-CQSZACIVSA-N 1 1 324.385 -1.635 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007472 928662895 /nfs/dbraw/zinc/66/28/95/928662895.db2.gz KITCEHZUQXAAFF-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007472 928662902 /nfs/dbraw/zinc/66/29/02/928662902.db2.gz KITCEHZUQXAAFF-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001440006383 928662969 /nfs/dbraw/zinc/66/29/69/928662969.db2.gz YSBAOXGJCRDIBM-AAEUAGOBSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001440006383 928662973 /nfs/dbraw/zinc/66/29/73/928662973.db2.gz YSBAOXGJCRDIBM-AAEUAGOBSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001440002109 928663022 /nfs/dbraw/zinc/66/30/22/928663022.db2.gz PZIKWBPUYFXFNG-CYBMUJFWSA-N 1 1 314.317 -1.529 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001440002109 928663028 /nfs/dbraw/zinc/66/30/28/928663028.db2.gz PZIKWBPUYFXFNG-CYBMUJFWSA-N 1 1 314.317 -1.529 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001440005918 928663070 /nfs/dbraw/zinc/66/30/70/928663070.db2.gz JYDPMERFBJVBNJ-TVQRCGJNSA-N 1 1 314.342 -2.480 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccc2nnnn2c1 ZINC001440003901 928663251 /nfs/dbraw/zinc/66/32/51/928663251.db2.gz UWTZEVPUFYLTGO-ZDUSSCGKSA-N 1 1 306.326 -1.717 20 0 DAADMO CCOc1nc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)co1 ZINC001440008291 928663287 /nfs/dbraw/zinc/66/32/87/928663287.db2.gz WTUBJNMEXBIGLZ-ZDUSSCGKSA-N 1 1 312.326 -1.275 20 0 DAADMO CCOc1nc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)co1 ZINC001440008291 928663288 /nfs/dbraw/zinc/66/32/88/928663288.db2.gz WTUBJNMEXBIGLZ-ZDUSSCGKSA-N 1 1 312.326 -1.275 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001440004614 928663492 /nfs/dbraw/zinc/66/34/92/928663492.db2.gz OZUTYVYCQAFXDE-JQWIXIFHSA-N 1 1 308.400 -1.381 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001440004614 928663497 /nfs/dbraw/zinc/66/34/97/928663497.db2.gz OZUTYVYCQAFXDE-JQWIXIFHSA-N 1 1 308.400 -1.381 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1cnon1 ZINC001440008447 928663543 /nfs/dbraw/zinc/66/35/43/928663543.db2.gz NSPBCTVNDRVASD-AWEZNQCLSA-N 1 1 323.353 -1.141 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001440004933 928663567 /nfs/dbraw/zinc/66/35/67/928663567.db2.gz AUQTXXZZJMZBLI-LBPRGKRZSA-N 1 1 320.415 -1.997 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(C)cnn2C)C1 ZINC001440003369 928663626 /nfs/dbraw/zinc/66/36/26/928663626.db2.gz RXZUGJZGJGJKQY-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c(C)cnn2C)C1 ZINC001440003369 928663630 /nfs/dbraw/zinc/66/36/30/928663630.db2.gz RXZUGJZGJGJKQY-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001440007862 928663930 /nfs/dbraw/zinc/66/39/30/928663930.db2.gz GIRGUFJQKBHRFT-NOZJJQNGSA-N 1 1 323.340 -1.044 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cscn2)C1 ZINC001440016872 928668641 /nfs/dbraw/zinc/66/86/41/928668641.db2.gz ULOJFRWALNJQRO-CYBMUJFWSA-N 1 1 312.395 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cscn2)C1 ZINC001440016872 928668646 /nfs/dbraw/zinc/66/86/46/928668646.db2.gz ULOJFRWALNJQRO-CYBMUJFWSA-N 1 1 312.395 -1.015 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440019039 928668685 /nfs/dbraw/zinc/66/86/85/928668685.db2.gz YCBKGTGSYXIHEE-HNNXBMFYSA-N 1 1 323.397 -1.382 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440019039 928668689 /nfs/dbraw/zinc/66/86/89/928668689.db2.gz YCBKGTGSYXIHEE-HNNXBMFYSA-N 1 1 323.397 -1.382 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001440019713 928668927 /nfs/dbraw/zinc/66/89/27/928668927.db2.gz ZDRKKQGMCKWRSJ-SMDDNHRTSA-N 1 1 300.403 -1.245 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001440017346 928669092 /nfs/dbraw/zinc/66/90/92/928669092.db2.gz URLXMFLTCRYFIO-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001440020917 928670189 /nfs/dbraw/zinc/67/01/89/928670189.db2.gz GRAHKOXUGCYLGX-DOMZBBRYSA-N 1 1 309.366 -1.218 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440021860 928670377 /nfs/dbraw/zinc/67/03/77/928670377.db2.gz WCBHSFXGBILSTF-RISCZKNCSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440021860 928670382 /nfs/dbraw/zinc/67/03/82/928670382.db2.gz WCBHSFXGBILSTF-RISCZKNCSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021444 928670445 /nfs/dbraw/zinc/67/04/45/928670445.db2.gz URSMMFWPUAHIBN-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021444 928670451 /nfs/dbraw/zinc/67/04/51/928670451.db2.gz URSMMFWPUAHIBN-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440025382 928671768 /nfs/dbraw/zinc/67/17/68/928671768.db2.gz WEYOCNVAOWTJQO-ZWNOBZJWSA-N 1 1 308.342 -2.280 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440025382 928671775 /nfs/dbraw/zinc/67/17/75/928671775.db2.gz WEYOCNVAOWTJQO-ZWNOBZJWSA-N 1 1 308.342 -2.280 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001440025380 928672132 /nfs/dbraw/zinc/67/21/32/928672132.db2.gz WEYOCNVAOWTJQO-MFKMUULPSA-N 1 1 308.342 -2.280 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001440025380 928672138 /nfs/dbraw/zinc/67/21/38/928672138.db2.gz WEYOCNVAOWTJQO-MFKMUULPSA-N 1 1 308.342 -2.280 20 0 DAADMO CO[C@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001440027448 928672357 /nfs/dbraw/zinc/67/23/57/928672357.db2.gz KSFWUHYGAFRASQ-GFCCVEGCSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001440025378 928672428 /nfs/dbraw/zinc/67/24/28/928672428.db2.gz WEYOCNVAOWTJQO-GXFFZTMASA-N 1 1 308.342 -2.280 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001440025378 928672433 /nfs/dbraw/zinc/67/24/33/928672433.db2.gz WEYOCNVAOWTJQO-GXFFZTMASA-N 1 1 308.342 -2.280 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440028121 928672528 /nfs/dbraw/zinc/67/25/28/928672528.db2.gz BADPTNYDVAEXAI-RISCZKNCSA-N 1 1 311.386 -1.319 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440027916 928672910 /nfs/dbraw/zinc/67/29/10/928672910.db2.gz AHTQAPGFUWRUCA-IUODEOHRSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001440031416 928674186 /nfs/dbraw/zinc/67/41/86/928674186.db2.gz KDRKOKPVMQYGMH-CYBMUJFWSA-N 1 1 310.358 -2.214 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001440031416 928674190 /nfs/dbraw/zinc/67/41/90/928674190.db2.gz KDRKOKPVMQYGMH-CYBMUJFWSA-N 1 1 310.358 -2.214 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001440058008 928683747 /nfs/dbraw/zinc/68/37/47/928683747.db2.gz SXEVCOACUMYTFE-VXGBXAGGSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001440058000 928683910 /nfs/dbraw/zinc/68/39/10/928683910.db2.gz SXEVCOACUMYTFE-NEPJUHHUSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CCC(=O)NC1 ZINC001440064418 928686035 /nfs/dbraw/zinc/68/60/35/928686035.db2.gz WCOTTZMXHSDXBI-VXGBXAGGSA-N 1 1 311.382 -1.288 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN([C@H]2CCN(C)C2=O)C1 ZINC001440085919 928692541 /nfs/dbraw/zinc/69/25/41/928692541.db2.gz TXGYJLNRYPIDLZ-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001440094771 928693478 /nfs/dbraw/zinc/69/34/78/928693478.db2.gz JVTSJIJFUAORLU-LLVKDONJSA-N 1 1 319.427 -1.113 20 0 DAADMO CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001440095009 928694127 /nfs/dbraw/zinc/69/41/27/928694127.db2.gz PRDCHELWFJCZIN-SNVBAGLBSA-N 1 1 324.385 -1.414 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C1 ZINC001440146503 928695784 /nfs/dbraw/zinc/69/57/84/928695784.db2.gz GHSMMXPCHWMITB-GARJFASQSA-N 1 1 312.370 -1.133 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C1 ZINC001440142654 928696162 /nfs/dbraw/zinc/69/61/62/928696162.db2.gz HBKCMQBMLNMBCS-PHIMTYICSA-N 1 1 311.386 -1.558 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3csnn3)C[C@H]2C1 ZINC001440148386 928696340 /nfs/dbraw/zinc/69/63/40/928696340.db2.gz AGQHKLAVPDHUTJ-OCAPTIKFSA-N 1 1 324.366 -1.263 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C1 ZINC001440150545 928697010 /nfs/dbraw/zinc/69/70/10/928697010.db2.gz NXVQGKIMRZXWMG-WCFLWFBJSA-N 1 1 310.398 -1.011 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001440151539 928697045 /nfs/dbraw/zinc/69/70/45/928697045.db2.gz QDJJUSKWYCZMST-PHIMTYICSA-N 1 1 312.370 -1.179 20 0 DAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)CCc2c[nH]nn2)CC1 ZINC001440155914 928697260 /nfs/dbraw/zinc/69/72/60/928697260.db2.gz AQYRYXOOTYQAPK-UHFFFAOYSA-N 1 1 323.401 -1.607 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001440170678 928698452 /nfs/dbraw/zinc/69/84/52/928698452.db2.gz DHBVCNVXVUUUDI-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440171925 928698705 /nfs/dbraw/zinc/69/87/05/928698705.db2.gz JLRKDVIBCOMXSY-BXUZGUMPSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1cccn2nnnc12 ZINC001440171020 928698968 /nfs/dbraw/zinc/69/89/68/928698968.db2.gz HOMFGXBDJUIQOX-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001440156964 928699346 /nfs/dbraw/zinc/69/93/46/928699346.db2.gz FOJSYCARBOBOEM-UHFFFAOYSA-N 1 1 323.401 -1.323 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001440173152 928699514 /nfs/dbraw/zinc/69/95/14/928699514.db2.gz GXECBQOPHSCBCZ-HNNXBMFYSA-N 1 1 313.398 -1.066 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440175999 928700594 /nfs/dbraw/zinc/70/05/94/928700594.db2.gz PPWFYYJIVFFSMU-AWEZNQCLSA-N 1 1 315.370 -2.219 20 0 DAADMO C[C@H](CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)NC(N)=O ZINC001440181250 928700812 /nfs/dbraw/zinc/70/08/12/928700812.db2.gz YNNWGUWRTXUROR-MFKMUULPSA-N 1 1 302.375 -1.631 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001440180586 928701152 /nfs/dbraw/zinc/70/11/52/928701152.db2.gz BJSBKKYXQUDOJT-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001440180579 928701235 /nfs/dbraw/zinc/70/12/35/928701235.db2.gz BJSBKKYXQUDOJT-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176471 928701281 /nfs/dbraw/zinc/70/12/81/928701281.db2.gz QUZMLQHVWHTJFG-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001440187367 928701792 /nfs/dbraw/zinc/70/17/92/928701792.db2.gz IJVUVPWDPLOSRY-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1nc2ncccn2n1 ZINC001440192714 928703354 /nfs/dbraw/zinc/70/33/54/928703354.db2.gz SGGWFQDLSCRYGM-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001440195823 928704418 /nfs/dbraw/zinc/70/44/18/928704418.db2.gz UNYYCQJGECNBCG-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCO1)c1nnnn1C ZINC001440199520 928704753 /nfs/dbraw/zinc/70/47/53/928704753.db2.gz LQOYRHJXCSBMOD-QWRGUYRKSA-N 1 1 312.374 -1.139 20 0 DAADMO CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001440207428 928706103 /nfs/dbraw/zinc/70/61/03/928706103.db2.gz MYKJJVTUULJOSG-NWDGAFQWSA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O)c1nncn1C ZINC001440210669 928707238 /nfs/dbraw/zinc/70/72/38/928707238.db2.gz XKYONYGDICUJBQ-MXWKQRLJSA-N 1 1 324.385 -1.592 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CN1CCC(=O)NC1=O ZINC001440262147 928711172 /nfs/dbraw/zinc/71/11/72/928711172.db2.gz ISHRMXGHJDDXRY-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001440263349 928711258 /nfs/dbraw/zinc/71/12/58/928711258.db2.gz JXWUYXMCXVMVTL-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CC(C)C ZINC001440254874 928711507 /nfs/dbraw/zinc/71/15/07/928711507.db2.gz KEFFJJZDOCTDBY-LLVKDONJSA-N 1 1 322.431 -1.487 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C ZINC001440254874 928711502 /nfs/dbraw/zinc/71/15/02/928711502.db2.gz KEFFJJZDOCTDBY-LLVKDONJSA-N 1 1 322.431 -1.487 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CCC2)n1 ZINC001440297838 928713310 /nfs/dbraw/zinc/71/33/10/928713310.db2.gz BUDTURHBXNDCHL-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1ncnc1C[NH2+]C1(CNC(=O)Cn2ncnn2)CCC1 ZINC001440304399 928713398 /nfs/dbraw/zinc/71/33/98/928713398.db2.gz SWOYQYWKAZIJHA-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001440326055 928713588 /nfs/dbraw/zinc/71/35/88/928713588.db2.gz WWHHLYFABBYLJU-UHFFFAOYSA-N 1 1 310.362 -1.732 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001440321900 928713808 /nfs/dbraw/zinc/71/38/08/928713808.db2.gz GSNKYKMTZBDQKX-GARJFASQSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)Cn2cncn2)CCC1 ZINC001440352190 928715682 /nfs/dbraw/zinc/71/56/82/928715682.db2.gz IRJBXWGDXDAELA-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cncn2)C1 ZINC001440376953 928718031 /nfs/dbraw/zinc/71/80/31/928718031.db2.gz WDBYNUPPYNFCMK-MGCOHNPYSA-N 1 1 305.346 -1.514 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001440397947 928719889 /nfs/dbraw/zinc/71/98/89/928719889.db2.gz YICQIODHVUDUMV-JQWIXIFHSA-N 1 1 324.385 -1.356 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001440384003 928720402 /nfs/dbraw/zinc/72/04/02/928720402.db2.gz FQZLREJAIIFGDX-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CO[C@@H](C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001440381675 928720525 /nfs/dbraw/zinc/72/05/25/928720525.db2.gz REBXBBZKRQWAST-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CO[C@H](C)CC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001440381671 928720675 /nfs/dbraw/zinc/72/06/75/928720675.db2.gz REBXBBZKRQWAST-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001440445490 928722270 /nfs/dbraw/zinc/72/22/70/928722270.db2.gz BQFVQHOYSGIDCV-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2C1 ZINC001440453597 928722680 /nfs/dbraw/zinc/72/26/80/928722680.db2.gz XDPUHJOITKYYPN-ZJUUUORDSA-N 1 1 320.353 -1.002 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440455324 928722870 /nfs/dbraw/zinc/72/28/70/928722870.db2.gz LUZWBGWNMDXJKX-CMPLNLGQSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440455324 928722876 /nfs/dbraw/zinc/72/28/76/928722876.db2.gz LUZWBGWNMDXJKX-CMPLNLGQSA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001440454012 928722927 /nfs/dbraw/zinc/72/29/27/928722927.db2.gz LDKIGSHMDHACDO-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001440454012 928722936 /nfs/dbraw/zinc/72/29/36/928722936.db2.gz LDKIGSHMDHACDO-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO CCOCC(=O)NCc1nc(C[NH2+][C@@H](C)C(N)=O)cc(=O)[nH]1 ZINC001440410034 928723128 /nfs/dbraw/zinc/72/31/28/928723128.db2.gz FMULSRUKVQWYCC-QMMMGPOBSA-N 1 1 311.342 -1.202 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001440443255 928723323 /nfs/dbraw/zinc/72/33/23/928723323.db2.gz DVAOCMWDACPKAV-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001440443255 928723330 /nfs/dbraw/zinc/72/33/30/928723330.db2.gz DVAOCMWDACPKAV-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCS(=O)(=O)NC)CC[N@@H+]1CC(N)=O ZINC001440427355 928723370 /nfs/dbraw/zinc/72/33/70/928723370.db2.gz PFIRXOQZNJNODI-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCS(=O)(=O)NC)CC[N@H+]1CC(N)=O ZINC001440427355 928723375 /nfs/dbraw/zinc/72/33/75/928723375.db2.gz PFIRXOQZNJNODI-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001440444596 928723566 /nfs/dbraw/zinc/72/35/66/928723566.db2.gz FVUUQUQRFFTAEF-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001440444596 928723573 /nfs/dbraw/zinc/72/35/73/928723573.db2.gz FVUUQUQRFFTAEF-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001440412437 928724032 /nfs/dbraw/zinc/72/40/32/928724032.db2.gz NCZWCADPVOPLHJ-WOFXILAISA-N 1 1 321.337 -1.734 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)CCn1cnnn1 ZINC001440485859 928725338 /nfs/dbraw/zinc/72/53/38/928725338.db2.gz JNPZONADZOQCOK-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001440458333 928725887 /nfs/dbraw/zinc/72/58/87/928725887.db2.gz SJIOMNJBJUYNBI-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001440458333 928725892 /nfs/dbraw/zinc/72/58/92/928725892.db2.gz SJIOMNJBJUYNBI-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001440456901 928725929 /nfs/dbraw/zinc/72/59/29/928725929.db2.gz QIJFKWDXWSMAJO-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001440456901 928725936 /nfs/dbraw/zinc/72/59/36/928725936.db2.gz QIJFKWDXWSMAJO-NSHDSACASA-N 1 1 307.354 -1.139 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)[C@@H]1C ZINC001440471608 928726840 /nfs/dbraw/zinc/72/68/40/928726840.db2.gz GFYXBYUCRYCTBQ-PWSUYJOCSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001440457790 928726866 /nfs/dbraw/zinc/72/68/66/928726866.db2.gz VJHWFCQSDTUBGA-ZJUUUORDSA-N 1 1 314.342 -2.135 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001440457790 928726875 /nfs/dbraw/zinc/72/68/75/928726875.db2.gz VJHWFCQSDTUBGA-ZJUUUORDSA-N 1 1 314.342 -2.135 20 0 DAADMO CN1CC(C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)=NC1=O ZINC001440621210 928735559 /nfs/dbraw/zinc/73/55/59/928735559.db2.gz ACSYSVLCGKYPOY-UHFFFAOYSA-N 1 1 311.342 -1.832 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001440655974 928737166 /nfs/dbraw/zinc/73/71/66/928737166.db2.gz ZXJQEKUPRLRYHC-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@@H](CCNC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnn(C)n1 ZINC001440668926 928737636 /nfs/dbraw/zinc/73/76/36/928737636.db2.gz GFURNGANIMPQHM-QMMMGPOBSA-N 1 1 306.330 -1.408 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 ZINC001440691700 928737705 /nfs/dbraw/zinc/73/77/05/928737705.db2.gz IYWSKXIYSJVWLP-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001440655976 928737795 /nfs/dbraw/zinc/73/77/95/928737795.db2.gz ZXJQEKUPRLRYHC-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CNC(C)=O)CC1 ZINC001440686283 928738251 /nfs/dbraw/zinc/73/82/51/928738251.db2.gz AIJIRILSCGRNMP-UHFFFAOYSA-N 1 1 300.359 -2.188 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001440695915 928739498 /nfs/dbraw/zinc/73/94/98/928739498.db2.gz IUOJFRHLUQBGMP-VIFPVBQESA-N 1 1 311.346 -2.510 20 0 DAADMO O=C(C[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1)N1CCC1 ZINC001440699805 928739829 /nfs/dbraw/zinc/73/98/29/928739829.db2.gz GVFZOLSEKRKVKU-UHFFFAOYSA-N 1 1 323.353 -1.141 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001440704176 928739895 /nfs/dbraw/zinc/73/98/95/928739895.db2.gz IOIOHQDTCXXVHM-UWVGGRQHSA-N 1 1 312.370 -1.918 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCO ZINC001440730753 928740414 /nfs/dbraw/zinc/74/04/14/928740414.db2.gz HIVYDOJYEHJXTA-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001440732924 928741009 /nfs/dbraw/zinc/74/10/09/928741009.db2.gz LXQNPKHNNIAARA-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001440731166 928741055 /nfs/dbraw/zinc/74/10/55/928741055.db2.gz WEJKEFBLQAFSGQ-OUAUKWLOSA-N 1 1 312.370 -1.573 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001440731166 928741062 /nfs/dbraw/zinc/74/10/62/928741062.db2.gz WEJKEFBLQAFSGQ-OUAUKWLOSA-N 1 1 312.370 -1.573 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1ncccn1 ZINC001440701219 928741380 /nfs/dbraw/zinc/74/13/80/928741380.db2.gz OEARWGUTZXLIDI-LLVKDONJSA-N 1 1 319.365 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724128 928741483 /nfs/dbraw/zinc/74/14/83/928741483.db2.gz TXOLVHMDWOZGSR-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724128 928741489 /nfs/dbraw/zinc/74/14/89/928741489.db2.gz TXOLVHMDWOZGSR-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001440744957 928742612 /nfs/dbraw/zinc/74/26/12/928742612.db2.gz ZSMISVUPDFWVES-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001440739003 928742794 /nfs/dbraw/zinc/74/27/94/928742794.db2.gz YXSIGTGIQYKQOC-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001440739003 928742801 /nfs/dbraw/zinc/74/28/01/928742801.db2.gz YXSIGTGIQYKQOC-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001440732935 928743241 /nfs/dbraw/zinc/74/32/41/928743241.db2.gz LXQNPKHNNIAARA-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)c(=O)n1C ZINC001440736724 928743266 /nfs/dbraw/zinc/74/32/66/928743266.db2.gz RYSZXHDIVNKDDB-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)c(=O)n1C ZINC001440736724 928743274 /nfs/dbraw/zinc/74/32/74/928743274.db2.gz RYSZXHDIVNKDDB-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001440744951 928744085 /nfs/dbraw/zinc/74/40/85/928744085.db2.gz ZSMISVUPDFWVES-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440824633 928745458 /nfs/dbraw/zinc/74/54/58/928745458.db2.gz XQCMZRTWWJJZJP-JGVFFNPUSA-N 1 1 306.330 -1.410 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001440799351 928745805 /nfs/dbraw/zinc/74/58/05/928745805.db2.gz BSLPXQGWDIUDEC-DTWKUNHWSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001440824631 928745920 /nfs/dbraw/zinc/74/59/20/928745920.db2.gz XQCMZRTWWJJZJP-HTQZYQBOSA-N 1 1 306.330 -1.410 20 0 DAADMO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001440799353 928746343 /nfs/dbraw/zinc/74/63/43/928746343.db2.gz BSLPXQGWDIUDEC-IUCAKERBSA-N 1 1 318.403 -1.208 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440891979 928747966 /nfs/dbraw/zinc/74/79/66/928747966.db2.gz OFOAJTWDIAXRSX-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440891979 928747977 /nfs/dbraw/zinc/74/79/77/928747977.db2.gz OFOAJTWDIAXRSX-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001440914863 928748267 /nfs/dbraw/zinc/74/82/67/928748267.db2.gz LIINGLMHXRYPPN-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440914863 928748275 /nfs/dbraw/zinc/74/82/75/928748275.db2.gz LIINGLMHXRYPPN-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001440906186 928748898 /nfs/dbraw/zinc/74/88/98/928748898.db2.gz PQRRLHSNGMUMSU-ZETCQYMHSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001440906186 928748908 /nfs/dbraw/zinc/74/89/08/928748908.db2.gz PQRRLHSNGMUMSU-ZETCQYMHSA-N 1 1 311.346 -1.631 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001440921413 928749523 /nfs/dbraw/zinc/74/95/23/928749523.db2.gz CWDWQZCDCYRGAD-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001440921413 928749527 /nfs/dbraw/zinc/74/95/27/928749527.db2.gz CWDWQZCDCYRGAD-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@H+](C)CC(=O)N1CCC1 ZINC001440921024 928749630 /nfs/dbraw/zinc/74/96/30/928749630.db2.gz RTKHTYDRIWKKFL-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)CC(=O)N1CCC1 ZINC001440921024 928749639 /nfs/dbraw/zinc/74/96/39/928749639.db2.gz RTKHTYDRIWKKFL-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](CNC(=O)CC1(O)CCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001440918509 928749753 /nfs/dbraw/zinc/74/97/53/928749753.db2.gz NXLBGNYISCSVQU-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H](CNC(=O)CC1(O)CCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440918509 928749761 /nfs/dbraw/zinc/74/97/61/928749761.db2.gz NXLBGNYISCSVQU-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001440914872 928749847 /nfs/dbraw/zinc/74/98/47/928749847.db2.gz LIINGLMHXRYPPN-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440914872 928749854 /nfs/dbraw/zinc/74/98/54/928749854.db2.gz LIINGLMHXRYPPN-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001440906183 928750033 /nfs/dbraw/zinc/75/00/33/928750033.db2.gz PQRRLHSNGMUMSU-SSDOTTSWSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001440906183 928750039 /nfs/dbraw/zinc/75/00/39/928750039.db2.gz PQRRLHSNGMUMSU-SSDOTTSWSA-N 1 1 311.346 -1.631 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cnn(C)c1 ZINC001440942932 928751248 /nfs/dbraw/zinc/75/12/48/928751248.db2.gz MMXNPVKLRZQHAA-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1cnn(C)c1 ZINC001440942932 928751253 /nfs/dbraw/zinc/75/12/53/928751253.db2.gz MMXNPVKLRZQHAA-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930791 928751384 /nfs/dbraw/zinc/75/13/84/928751384.db2.gz AHVFIGAJJUQKMV-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930791 928751387 /nfs/dbraw/zinc/75/13/87/928751387.db2.gz AHVFIGAJJUQKMV-NXEZZACHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCO ZINC001440940769 928751438 /nfs/dbraw/zinc/75/14/38/928751438.db2.gz DOQJHNSHJCBVBR-IUCAKERBSA-N 1 1 307.372 -2.672 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCO ZINC001440940769 928751442 /nfs/dbraw/zinc/75/14/42/928751442.db2.gz DOQJHNSHJCBVBR-IUCAKERBSA-N 1 1 307.372 -2.672 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001440995348 928753653 /nfs/dbraw/zinc/75/36/53/928753653.db2.gz ARRTWFBRIWPLSX-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001440995348 928753662 /nfs/dbraw/zinc/75/36/62/928753662.db2.gz ARRTWFBRIWPLSX-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001440977542 928754371 /nfs/dbraw/zinc/75/43/71/928754371.db2.gz MTSKYDNKJBPIKX-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001441033584 928757099 /nfs/dbraw/zinc/75/70/99/928757099.db2.gz LTWVMEYZSLXUFV-UHFFFAOYSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC(=O)NCCN1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001441047191 928758588 /nfs/dbraw/zinc/75/85/88/928758588.db2.gz AYJLQKAYNQSGHQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001441083473 928764860 /nfs/dbraw/zinc/76/48/60/928764860.db2.gz AMFWMBCZWPJFDU-ZIAGYGMSSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001441084057 928765913 /nfs/dbraw/zinc/76/59/13/928765913.db2.gz XOBUFKKYSOFSOB-SNVBAGLBSA-N 1 1 305.400 -1.361 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CCCCC[N@@H+]1CCO ZINC001441129696 928767233 /nfs/dbraw/zinc/76/72/33/928767233.db2.gz VKQBLBLEVJELEL-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001441126717 928768223 /nfs/dbraw/zinc/76/82/23/928768223.db2.gz JEAFWFTVBOWDOX-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001441126717 928768237 /nfs/dbraw/zinc/76/82/37/928768237.db2.gz JEAFWFTVBOWDOX-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001441149875 928770372 /nfs/dbraw/zinc/77/03/72/928770372.db2.gz IDQHUVVJXIQHPY-BDAKNGLRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001441163016 928770413 /nfs/dbraw/zinc/77/04/13/928770413.db2.gz CKKWQOJIQZTINR-ZJUUUORDSA-N 1 1 309.374 -1.414 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001441147500 928770700 /nfs/dbraw/zinc/77/07/00/928770700.db2.gz KNAZNTCQTCNGBZ-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001441197227 928773215 /nfs/dbraw/zinc/77/32/15/928773215.db2.gz LSPTUKZWKRKZOX-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001441202459 928773551 /nfs/dbraw/zinc/77/35/51/928773551.db2.gz XQLJQZDIMTVWLP-KOLCDFICSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001441172556 928774211 /nfs/dbraw/zinc/77/42/11/928774211.db2.gz QWRWMKXZDFZVME-SNVBAGLBSA-N 1 1 321.385 -1.270 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H](CNC(=O)c1cnn[nH]1)C1CC1 ZINC001441213469 928775807 /nfs/dbraw/zinc/77/58/07/928775807.db2.gz ZNTSAMQCOSGCIT-SECBINFHSA-N 1 1 301.372 -1.053 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001441233971 928775856 /nfs/dbraw/zinc/77/58/56/928775856.db2.gz DRNLQUVCTUABQV-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001441260152 928776220 /nfs/dbraw/zinc/77/62/20/928776220.db2.gz WJMHXARYTXKENP-VIFPVBQESA-N 1 1 308.404 -2.141 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001441274128 928776839 /nfs/dbraw/zinc/77/68/39/928776839.db2.gz MTAVZKOVBXMMQH-DBIOUOCHSA-N 1 1 312.370 -1.229 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001441275097 928776929 /nfs/dbraw/zinc/77/69/29/928776929.db2.gz LQPUWKHNTMRALO-PDEGPIFNSA-N 1 1 321.385 -1.334 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001441275097 928776937 /nfs/dbraw/zinc/77/69/37/928776937.db2.gz LQPUWKHNTMRALO-PDEGPIFNSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001441288549 928777063 /nfs/dbraw/zinc/77/70/63/928777063.db2.gz GTEFWKTZTUMSHD-CNDDSTCGSA-N 1 1 309.370 -1.382 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)OC)[C@@H]2C1 ZINC001441274142 928777219 /nfs/dbraw/zinc/77/72/19/928777219.db2.gz MTAVZKOVBXMMQH-XWLWVQCSSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001441296459 928777484 /nfs/dbraw/zinc/77/74/84/928777484.db2.gz KPLBVQZRFAFZPZ-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001441283366 928777878 /nfs/dbraw/zinc/77/78/78/928777878.db2.gz QIBJNVUKLXAVQU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(N)=O)C2)NC1=O ZINC001441289835 928778022 /nfs/dbraw/zinc/77/80/22/928778022.db2.gz CJLAQWVQPBFSJZ-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001441280186 928778108 /nfs/dbraw/zinc/77/81/08/928778108.db2.gz BRJAOZCSFWSSLI-XDQVBPFNSA-N 1 1 324.425 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001441312882 928779369 /nfs/dbraw/zinc/77/93/69/928779369.db2.gz VOVTVWYOXOATMQ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001441312882 928779376 /nfs/dbraw/zinc/77/93/76/928779376.db2.gz VOVTVWYOXOATMQ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3nc[nH]n3)[C@@H]2C1 ZINC001441312882 928779387 /nfs/dbraw/zinc/77/93/87/928779387.db2.gz VOVTVWYOXOATMQ-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441299669 928779837 /nfs/dbraw/zinc/77/98/37/928779837.db2.gz LJPACXIUOAJYDM-YFKTTZPYSA-N 1 1 308.382 -1.305 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001441301486 928780095 /nfs/dbraw/zinc/78/00/95/928780095.db2.gz OQVPRDXMDQIQQH-ZJUUUORDSA-N 1 1 309.374 -1.132 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001441327680 928782118 /nfs/dbraw/zinc/78/21/18/928782118.db2.gz XONWCHQXRWCYIL-CNDDSTCGSA-N 1 1 321.385 -1.370 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC001441341991 928782905 /nfs/dbraw/zinc/78/29/05/928782905.db2.gz NZSOGVLXKRYMPZ-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001441404145 928786792 /nfs/dbraw/zinc/78/67/92/928786792.db2.gz NNTBHXBAEXJEFG-GMTAPVOTSA-N 1 1 309.374 -1.138 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441452495 928789237 /nfs/dbraw/zinc/78/92/37/928789237.db2.gz XIPHHMSOHJDMEF-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001441430471 928789385 /nfs/dbraw/zinc/78/93/85/928789385.db2.gz HNYRNFNANZXHFS-OPRDCNLKSA-N 1 1 324.389 -1.216 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001441448122 928790162 /nfs/dbraw/zinc/79/01/62/928790162.db2.gz OJTSWYSYEJXKDC-LLVKDONJSA-N 1 1 319.373 -1.021 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)n[nH]1 ZINC001441491778 928791473 /nfs/dbraw/zinc/79/14/73/928791473.db2.gz POQRPRNXKPZHFR-AOOOYVTPSA-N 1 1 315.399 -1.063 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001441510043 928795805 /nfs/dbraw/zinc/79/58/05/928795805.db2.gz NNTBHXBAEXJEFG-AXFHLTTASA-N 1 1 309.374 -1.138 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001441560521 928797475 /nfs/dbraw/zinc/79/74/75/928797475.db2.gz ANGZDADIBKZVRT-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001441560521 928797484 /nfs/dbraw/zinc/79/74/84/928797484.db2.gz ANGZDADIBKZVRT-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001441570694 928798298 /nfs/dbraw/zinc/79/82/98/928798298.db2.gz LSLKJGWTILLPOS-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001441572563 928798578 /nfs/dbraw/zinc/79/85/78/928798578.db2.gz MOGWRLRGDQKMRT-MNOVXSKESA-N 1 1 307.416 -1.255 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001441582316 928800848 /nfs/dbraw/zinc/80/08/48/928800848.db2.gz BLMAHLAHEHGHLL-QMMMGPOBSA-N 1 1 308.346 -1.101 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441596497 928800956 /nfs/dbraw/zinc/80/09/56/928800956.db2.gz ORVQUHRVMUFCMW-WPRPVWTQSA-N 1 1 322.373 -1.374 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001441610976 928801378 /nfs/dbraw/zinc/80/13/78/928801378.db2.gz QPPRAXIBJOOJLS-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001441610976 928801388 /nfs/dbraw/zinc/80/13/88/928801388.db2.gz QPPRAXIBJOOJLS-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001441637968 928802517 /nfs/dbraw/zinc/80/25/17/928802517.db2.gz JGIOKNPKIIFJFK-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001441637968 928802525 /nfs/dbraw/zinc/80/25/25/928802525.db2.gz JGIOKNPKIIFJFK-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO O=C(CC1CC1)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441650221 928803035 /nfs/dbraw/zinc/80/30/35/928803035.db2.gz DTKGZWDIOBOCTM-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)nn1 ZINC001441658197 928804365 /nfs/dbraw/zinc/80/43/65/928804365.db2.gz GXYRHOLPEUDEPJ-LLVKDONJSA-N 1 1 311.342 -1.812 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCn1cccn1 ZINC001441666001 928806570 /nfs/dbraw/zinc/80/65/70/928806570.db2.gz BCGGQLRPTHWKNZ-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001441669912 928808861 /nfs/dbraw/zinc/80/88/61/928808861.db2.gz PRGXPCAKCDOVSJ-SNVBAGLBSA-N 1 1 311.342 -1.292 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441669316 928809979 /nfs/dbraw/zinc/80/99/79/928809979.db2.gz PGFGYLVLZMTJNX-GWCFXTLKSA-N 1 1 311.386 -1.180 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)ncn1 ZINC001441680070 928811622 /nfs/dbraw/zinc/81/16/22/928811622.db2.gz BZKATLBRKKEOTP-AAEUAGOBSA-N 1 1 321.381 -1.122 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441679473 928812405 /nfs/dbraw/zinc/81/24/05/928812405.db2.gz YFOIXWMOOIRBTI-NXEZZACHSA-N 1 1 316.358 -2.954 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001441686745 928813926 /nfs/dbraw/zinc/81/39/26/928813926.db2.gz UARXGYPWTQNTRS-XXFSISAASA-N 1 1 312.370 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OC ZINC001441686745 928813936 /nfs/dbraw/zinc/81/39/36/928813936.db2.gz UARXGYPWTQNTRS-XXFSISAASA-N 1 1 312.370 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001441686742 928814411 /nfs/dbraw/zinc/81/44/11/928814411.db2.gz UARXGYPWTQNTRS-OGBGREFGSA-N 1 1 312.370 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001441686742 928814414 /nfs/dbraw/zinc/81/44/14/928814414.db2.gz UARXGYPWTQNTRS-OGBGREFGSA-N 1 1 312.370 -1.088 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001441692710 928816738 /nfs/dbraw/zinc/81/67/38/928816738.db2.gz FKCJRNZDKYXIFE-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COC(=O)N2)ncn1 ZINC001441694374 928817114 /nfs/dbraw/zinc/81/71/14/928817114.db2.gz HSGONFKKNSQTBC-WDEREUQCSA-N 1 1 309.326 -1.540 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)ncn1 ZINC001441694356 928817576 /nfs/dbraw/zinc/81/75/76/928817576.db2.gz HSGONFKKNSQTBC-GHMZBOCLSA-N 1 1 309.326 -1.540 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001441696326 928817785 /nfs/dbraw/zinc/81/77/85/928817785.db2.gz JTXYEGONVFUZSM-NTASLKFISA-N 1 1 314.382 -1.154 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001441698269 928819968 /nfs/dbraw/zinc/81/99/68/928819968.db2.gz NNRRYJYPXURFOV-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001441698518 928821334 /nfs/dbraw/zinc/82/13/34/928821334.db2.gz UCZPRPSJEMPDPE-IJLUTSLNSA-N 1 1 321.443 -1.562 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001441698518 928821341 /nfs/dbraw/zinc/82/13/41/928821341.db2.gz UCZPRPSJEMPDPE-IJLUTSLNSA-N 1 1 321.443 -1.562 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001441700755 928822819 /nfs/dbraw/zinc/82/28/19/928822819.db2.gz UUKBLPUITWNWPF-JOYOIKCWSA-N 1 1 314.342 -1.303 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001441705422 928827025 /nfs/dbraw/zinc/82/70/25/928827025.db2.gz OHBWMSHXCMDISC-JGVFFNPUSA-N 1 1 301.372 -1.233 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001441704050 928827447 /nfs/dbraw/zinc/82/74/47/928827447.db2.gz BMKPBGNXKIDBLI-WDEREUQCSA-N 1 1 324.385 -1.702 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001441709863 928830640 /nfs/dbraw/zinc/83/06/40/928830640.db2.gz SUYIJOKONGETAD-LBPRGKRZSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001441713334 928831226 /nfs/dbraw/zinc/83/12/26/928831226.db2.gz LFKRDHMPNQVPKS-QWHCGFSZSA-N 1 1 310.402 -1.134 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001441709820 928831426 /nfs/dbraw/zinc/83/14/26/928831426.db2.gz SUYIJOKONGETAD-GFCCVEGCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001441714555 928833329 /nfs/dbraw/zinc/83/33/29/928833329.db2.gz YWAQTJNTWMVBCX-ZYHUDNBSSA-N 1 1 309.370 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001441716685 928834807 /nfs/dbraw/zinc/83/48/07/928834807.db2.gz VHOVPGFGTAJONK-HKLXJQGRSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001441716685 928834821 /nfs/dbraw/zinc/83/48/21/928834821.db2.gz VHOVPGFGTAJONK-HKLXJQGRSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)S(C)(=O)=O ZINC001441720958 928841775 /nfs/dbraw/zinc/84/17/75/928841775.db2.gz ZKAHFEHZERLDQW-IUCAKERBSA-N 1 1 319.387 -2.185 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001441730595 928844492 /nfs/dbraw/zinc/84/44/92/928844492.db2.gz LSFDMCJYLFMDLX-VHSXEESVSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)cn1 ZINC001441739466 928845488 /nfs/dbraw/zinc/84/54/88/928845488.db2.gz VXXNXJBUCRAXDA-STQMWFEESA-N 1 1 321.381 -1.027 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001441736689 928846096 /nfs/dbraw/zinc/84/60/96/928846096.db2.gz QVEDDZFEYIUVJO-NDBYEHHHSA-N 1 1 322.365 -1.056 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001441741697 928849310 /nfs/dbraw/zinc/84/93/10/928849310.db2.gz SZIDXMQSKFKCMJ-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001441741701 928849586 /nfs/dbraw/zinc/84/95/86/928849586.db2.gz SZIDXMQSKFKCMJ-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NCC(=O)N2CCC2)CC1 ZINC001441741943 928850210 /nfs/dbraw/zinc/85/02/10/928850210.db2.gz NXSNHHXHKCJGGJ-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001441755787 928851788 /nfs/dbraw/zinc/85/17/88/928851788.db2.gz SGYYSDMFFOUYMZ-NEPJUHHUSA-N 1 1 311.386 -1.099 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001441754635 928852075 /nfs/dbraw/zinc/85/20/75/928852075.db2.gz GLIKIIJWVYRICQ-YGRLFVJLSA-N 1 1 324.385 -1.467 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441758683 928853936 /nfs/dbraw/zinc/85/39/36/928853936.db2.gz ZENPDVBUPYBPBM-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001441762892 928853982 /nfs/dbraw/zinc/85/39/82/928853982.db2.gz AIQNPLAJOCVWGA-NWDGAFQWSA-N 1 1 323.397 -1.002 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001441762919 928854554 /nfs/dbraw/zinc/85/45/54/928854554.db2.gz AIQNPLAJOCVWGA-VXGBXAGGSA-N 1 1 323.397 -1.002 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001441759048 928854973 /nfs/dbraw/zinc/85/49/73/928854973.db2.gz LUXFRTPLYRDDHM-RKDXNWHRSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001441759048 928854987 /nfs/dbraw/zinc/85/49/87/928854987.db2.gz LUXFRTPLYRDDHM-RKDXNWHRSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001441759042 928855285 /nfs/dbraw/zinc/85/52/85/928855285.db2.gz LUXFRTPLYRDDHM-IUCAKERBSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001441759042 928855301 /nfs/dbraw/zinc/85/53/01/928855301.db2.gz LUXFRTPLYRDDHM-IUCAKERBSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001441762767 928855539 /nfs/dbraw/zinc/85/55/39/928855539.db2.gz KKTGEDJLBYMONS-LBPRGKRZSA-N 1 1 323.332 -1.136 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cccnn1 ZINC001441773922 928861112 /nfs/dbraw/zinc/86/11/12/928861112.db2.gz ZTBCPKMOZPKOBB-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nnc2n1CCCC2 ZINC001441781777 928863836 /nfs/dbraw/zinc/86/38/36/928863836.db2.gz QZXSMNLNLOEMKV-SNVBAGLBSA-N 1 1 319.373 -1.105 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441796429 928865273 /nfs/dbraw/zinc/86/52/73/928865273.db2.gz VUDDOXJFGUCNJS-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001441786183 928866037 /nfs/dbraw/zinc/86/60/37/928866037.db2.gz JZRDBJSMIYVPJL-YPMHNXCESA-N 1 1 324.425 -1.184 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1CCF ZINC001441787532 928866382 /nfs/dbraw/zinc/86/63/82/928866382.db2.gz JIYNKCIVHYYKFI-VIFPVBQESA-N 1 1 321.378 -1.114 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1cn(C)nn1 ZINC001441787439 928867804 /nfs/dbraw/zinc/86/78/04/928867804.db2.gz FNTARTXTFYLVHY-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441800022 928868658 /nfs/dbraw/zinc/86/86/58/928868658.db2.gz ROCGOEUJSGNOFQ-NXEZZACHSA-N 1 1 315.374 -2.540 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441800022 928868672 /nfs/dbraw/zinc/86/86/72/928868672.db2.gz ROCGOEUJSGNOFQ-NXEZZACHSA-N 1 1 315.374 -2.540 20 0 DAADMO COc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)ncn1 ZINC001441814290 928872119 /nfs/dbraw/zinc/87/21/19/928872119.db2.gz BAIAJJRUOMJGNN-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CCNC(N)=O)nn1C ZINC001441810344 928873029 /nfs/dbraw/zinc/87/30/29/928873029.db2.gz YMAYHCLOERJEHU-LLVKDONJSA-N 1 1 312.374 -1.646 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001441853173 928874974 /nfs/dbraw/zinc/87/49/74/928874974.db2.gz VPUZCENWVMHVPT-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001441851410 928875075 /nfs/dbraw/zinc/87/50/75/928875075.db2.gz ALWSEPNDLNIAIK-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001441842101 928875650 /nfs/dbraw/zinc/87/56/50/928875650.db2.gz LNLBAHGTNQSWNB-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCNC(N)=O ZINC001441834031 928875782 /nfs/dbraw/zinc/87/57/82/928875782.db2.gz ZUBDBGXSLCBUCY-BDAKNGLRSA-N 1 1 310.362 -1.653 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccon1 ZINC001441859689 928876869 /nfs/dbraw/zinc/87/68/69/928876869.db2.gz SMNFJDFBXGVNOI-VIFPVBQESA-N 1 1 311.342 -1.479 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCNC(N)=O ZINC001441855401 928879006 /nfs/dbraw/zinc/87/90/06/928879006.db2.gz FDXWNPFSUSLAOZ-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NC[C@@H](C)[NH2+]CC(N)=O)cc1=O ZINC001441905643 928879668 /nfs/dbraw/zinc/87/96/68/928879668.db2.gz SUGZXROICIDSDG-SNVBAGLBSA-N 1 1 311.386 -1.046 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001441911377 928880118 /nfs/dbraw/zinc/88/01/18/928880118.db2.gz WXPIAHOMLIJTPX-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NC[C@H](C)[NH2+]CC(N)=O)cc1=O ZINC001441905642 928880735 /nfs/dbraw/zinc/88/07/35/928880735.db2.gz SUGZXROICIDSDG-JTQLQIEISA-N 1 1 311.386 -1.046 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001441879837 928880776 /nfs/dbraw/zinc/88/07/76/928880776.db2.gz FQORFECDMDNYHI-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001441879837 928880784 /nfs/dbraw/zinc/88/07/84/928880784.db2.gz FQORFECDMDNYHI-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001441890140 928881265 /nfs/dbraw/zinc/88/12/65/928881265.db2.gz NEUHHGIHDNYHIQ-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001441961287 928888600 /nfs/dbraw/zinc/88/86/00/928888600.db2.gz XYBQVHJXOXGKLE-WCBMZHEXSA-N 1 1 313.362 -2.356 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001441961606 928889170 /nfs/dbraw/zinc/88/91/70/928889170.db2.gz KLXNXIUATDLDED-LBPRGKRZSA-N 1 1 321.385 -1.071 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001441960678 928890126 /nfs/dbraw/zinc/89/01/26/928890126.db2.gz XYBQVHJXOXGKLE-SCZZXKLOSA-N 1 1 313.362 -2.356 20 0 DAADMO Cc1c[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001441975097 928893590 /nfs/dbraw/zinc/89/35/90/928893590.db2.gz QBBPHBWXIDZATK-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1COC(=O)N1 ZINC001441985003 928896698 /nfs/dbraw/zinc/89/66/98/928896698.db2.gz DPZWMJQFQSPNDI-RKDXNWHRSA-N 1 1 312.330 -2.168 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001441977104 928896757 /nfs/dbraw/zinc/89/67/57/928896757.db2.gz DALNMMSOMXIHQP-JTQLQIEISA-N 1 1 313.362 -2.347 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1cnc[nH]1 ZINC001441983256 928896909 /nfs/dbraw/zinc/89/69/09/928896909.db2.gz JWEYJOFZPQTUIV-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001441979480 928897266 /nfs/dbraw/zinc/89/72/66/928897266.db2.gz XWRAZMYFUICRBS-MWLCHTKSSA-N 1 1 311.342 -1.495 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001441978905 928897941 /nfs/dbraw/zinc/89/79/41/928897941.db2.gz FIBZLQSXYPFWMQ-GHMZBOCLSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1COC(=O)N1 ZINC001441984964 928898124 /nfs/dbraw/zinc/89/81/24/928898124.db2.gz DPZWMJQFQSPNDI-DTWKUNHWSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnc[nH]c1=O ZINC001441977510 928898364 /nfs/dbraw/zinc/89/83/64/928898364.db2.gz GHQBIRYVVNGFRS-SECBINFHSA-N 1 1 321.341 -1.467 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001441979853 928898816 /nfs/dbraw/zinc/89/88/16/928898816.db2.gz ZEVITTDXYZGNAV-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)n2)C1 ZINC001441987058 928900698 /nfs/dbraw/zinc/90/06/98/928900698.db2.gz FSYDEOVUSXYZAP-CYBMUJFWSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441994776 928902472 /nfs/dbraw/zinc/90/24/72/928902472.db2.gz NDXGVETVFAGIRP-DCQANWLSSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001442002259 928904304 /nfs/dbraw/zinc/90/43/04/928904304.db2.gz YAMIJSSKVASTLQ-DTWKUNHWSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2nnc(C)o2)[nH]1 ZINC001442003453 928905431 /nfs/dbraw/zinc/90/54/31/928905431.db2.gz WGKWBAFFNNEFSH-JTQLQIEISA-N 1 1 323.357 -1.044 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001442007070 928905910 /nfs/dbraw/zinc/90/59/10/928905910.db2.gz UFTRJLLANAOBGV-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442005206 928906025 /nfs/dbraw/zinc/90/60/25/928906025.db2.gz YZIFMBMAHQRSIS-RISCZKNCSA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001442020863 928907677 /nfs/dbraw/zinc/90/76/77/928907677.db2.gz SQTBNUZYLKKOTI-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001442017126 928908140 /nfs/dbraw/zinc/90/81/40/928908140.db2.gz FPZJSQAXNDZJOL-YUMQZZPRSA-N 1 1 309.334 -1.888 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ncccn1 ZINC001442025819 928908865 /nfs/dbraw/zinc/90/88/65/928908865.db2.gz UEDXVQFGTBKRCE-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442026797 928910726 /nfs/dbraw/zinc/91/07/26/928910726.db2.gz CRJNVIVJKCHJLN-VHSXEESVSA-N 1 1 312.374 -1.629 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)c1cnn(C)n1 ZINC001442033318 928911175 /nfs/dbraw/zinc/91/11/75/928911175.db2.gz SRQDVXLUDPKMFM-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)CNCc1nnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442035288 928912604 /nfs/dbraw/zinc/91/26/04/928912604.db2.gz QYLCJQUINFNKPG-GHMZBOCLSA-N 1 1 311.390 -1.929 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CN1CCCC1 ZINC001442043445 928914434 /nfs/dbraw/zinc/91/44/34/928914434.db2.gz WWYULSOQAYDCKG-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)Cn1cncn1 ZINC001442039671 928914669 /nfs/dbraw/zinc/91/46/69/928914669.db2.gz WYROLGNNIYCIOQ-VIFPVBQESA-N 1 1 311.371 -1.261 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040747 928914901 /nfs/dbraw/zinc/91/49/01/928914901.db2.gz LRAMNWCRNIOTEA-ZYHUDNBSSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001442040747 928914905 /nfs/dbraw/zinc/91/49/05/928914905.db2.gz LRAMNWCRNIOTEA-ZYHUDNBSSA-N 1 1 311.386 -1.081 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001442053305 928915971 /nfs/dbraw/zinc/91/59/71/928915971.db2.gz YUXLJMRRJRSEKQ-GHMZBOCLSA-N 1 1 302.375 -1.863 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001442049150 928916182 /nfs/dbraw/zinc/91/61/82/928916182.db2.gz POABJIANLAWPNU-NXEZZACHSA-N 1 1 318.399 -1.090 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001442051052 928916612 /nfs/dbraw/zinc/91/66/12/928916612.db2.gz MZGWJNCQFCWMKV-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001442051068 928916820 /nfs/dbraw/zinc/91/68/20/928916820.db2.gz MZGWJNCQFCWMKV-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001442054892 928917012 /nfs/dbraw/zinc/91/70/12/928917012.db2.gz MKRAZFJDERIMNV-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001442054892 928917023 /nfs/dbraw/zinc/91/70/23/928917023.db2.gz MKRAZFJDERIMNV-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001442052600 928917045 /nfs/dbraw/zinc/91/70/45/928917045.db2.gz OBPGZVUYYXBLBJ-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001442052600 928917057 /nfs/dbraw/zinc/91/70/57/928917057.db2.gz OBPGZVUYYXBLBJ-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC001442046543 928917234 /nfs/dbraw/zinc/91/72/34/928917234.db2.gz KSKIJGQFRIJDEM-RKDXNWHRSA-N 1 1 318.403 -1.480 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001442053308 928917464 /nfs/dbraw/zinc/91/74/64/928917464.db2.gz YUXLJMRRJRSEKQ-MNOVXSKESA-N 1 1 302.375 -1.863 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1 ZINC001442046968 928917589 /nfs/dbraw/zinc/91/75/89/928917589.db2.gz RNQGANZPCFFVFI-ZDUSSCGKSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001442059135 928918791 /nfs/dbraw/zinc/91/87/91/928918791.db2.gz WMAPHINFNZFYKG-VHSXEESVSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001442059133 928918816 /nfs/dbraw/zinc/91/88/16/928918816.db2.gz WMAPHINFNZFYKG-UWVGGRQHSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1cc[nH]n1 ZINC001442059039 928918857 /nfs/dbraw/zinc/91/88/57/928918857.db2.gz VRAJYSZDWCGLGA-ZDUSSCGKSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001442059039 928918866 /nfs/dbraw/zinc/91/88/66/928918866.db2.gz VRAJYSZDWCGLGA-ZDUSSCGKSA-N 1 1 321.385 -1.005 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001442059039 928918877 /nfs/dbraw/zinc/91/88/77/928918877.db2.gz VRAJYSZDWCGLGA-ZDUSSCGKSA-N 1 1 321.385 -1.005 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)on1 ZINC001442067472 928918959 /nfs/dbraw/zinc/91/89/59/928918959.db2.gz WAPWMVALEIXYQD-MRVPVSSYSA-N 1 1 300.315 -1.467 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)on1 ZINC001442067472 928918966 /nfs/dbraw/zinc/91/89/66/928918966.db2.gz WAPWMVALEIXYQD-MRVPVSSYSA-N 1 1 300.315 -1.467 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001442060254 928919014 /nfs/dbraw/zinc/91/90/14/928919014.db2.gz YULWVXMNQHNSCJ-UWVGGRQHSA-N 1 1 324.385 -1.313 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001442059131 928919065 /nfs/dbraw/zinc/91/90/65/928919065.db2.gz WMAPHINFNZFYKG-NXEZZACHSA-N 1 1 322.369 -1.688 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001442063438 928919483 /nfs/dbraw/zinc/91/94/83/928919483.db2.gz YMHOIDRDQJOFJA-WDEREUQCSA-N 1 1 300.359 -1.218 20 0 DAADMO Cc1oncc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001442062937 928920121 /nfs/dbraw/zinc/92/01/21/928920121.db2.gz XSYVXPXXFPNYII-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1oncc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001442062937 928920130 /nfs/dbraw/zinc/92/01/30/928920130.db2.gz XSYVXPXXFPNYII-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001442059138 928920535 /nfs/dbraw/zinc/92/05/35/928920535.db2.gz WMAPHINFNZFYKG-ZJUUUORDSA-N 1 1 322.369 -1.688 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)c1 ZINC001442057577 928921412 /nfs/dbraw/zinc/92/14/12/928921412.db2.gz PQMZHOBKFCYMAS-NEPJUHHUSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)c1 ZINC001442057577 928921422 /nfs/dbraw/zinc/92/14/22/928921422.db2.gz PQMZHOBKFCYMAS-NEPJUHHUSA-N 1 1 311.386 -1.184 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001442082789 928922340 /nfs/dbraw/zinc/92/23/40/928922340.db2.gz QPRYVYUKKLPUJC-KOLCDFICSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1cn[nH]c1 ZINC001442078959 928922457 /nfs/dbraw/zinc/92/24/57/928922457.db2.gz FBVHLWSYKYACMT-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001442072252 928922585 /nfs/dbraw/zinc/92/25/85/928922585.db2.gz PYKFNRDBYFIHBO-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001442072252 928922593 /nfs/dbraw/zinc/92/25/93/928922593.db2.gz PYKFNRDBYFIHBO-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001442067804 928922843 /nfs/dbraw/zinc/92/28/43/928922843.db2.gz FPOFPPHWAXHIKH-MNOVXSKESA-N 1 1 324.385 -1.590 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001442077242 928923277 /nfs/dbraw/zinc/92/32/77/928923277.db2.gz BXADCUBWSBSEQX-LBPRGKRZSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001442077242 928923284 /nfs/dbraw/zinc/92/32/84/928923284.db2.gz BXADCUBWSBSEQX-LBPRGKRZSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001442071099 928923618 /nfs/dbraw/zinc/92/36/18/928923618.db2.gz MVGWYIZHOCPJDI-UWVGGRQHSA-N 1 1 310.358 -1.932 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001442081455 928923717 /nfs/dbraw/zinc/92/37/17/928923717.db2.gz GMHZVLPBUVNLIJ-UWVGGRQHSA-N 1 1 300.359 -1.129 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001442077766 928923848 /nfs/dbraw/zinc/92/38/48/928923848.db2.gz YEOPCLADUZOWIJ-JGVFFNPUSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001442077766 928923864 /nfs/dbraw/zinc/92/38/64/928923864.db2.gz YEOPCLADUZOWIJ-JGVFFNPUSA-N 1 1 322.312 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1cn[nH]c1 ZINC001442078966 928924402 /nfs/dbraw/zinc/92/44/02/928924402.db2.gz FBVHLWSYKYACMT-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442085968 928925715 /nfs/dbraw/zinc/92/57/15/928925715.db2.gz ADNSNALFWIBTPE-GFCCVEGCSA-N 1 1 324.381 -1.655 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442085968 928925727 /nfs/dbraw/zinc/92/57/27/928925727.db2.gz ADNSNALFWIBTPE-GFCCVEGCSA-N 1 1 324.381 -1.655 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCN1CCOCC1 ZINC001442096588 928926209 /nfs/dbraw/zinc/92/62/09/928926209.db2.gz PHGNVPVZVDHTAP-ZDUSSCGKSA-N 1 1 303.403 -1.548 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cncn1 ZINC001442087025 928926404 /nfs/dbraw/zinc/92/64/04/928926404.db2.gz BUXOQWPFDNNUGS-LBPRGKRZSA-N 1 1 322.373 -1.679 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001442084931 928926994 /nfs/dbraw/zinc/92/69/94/928926994.db2.gz QVWAAGLGXGEWJA-JTQLQIEISA-N 1 1 315.399 -1.028 20 0 DAADMO CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442096387 928927048 /nfs/dbraw/zinc/92/70/48/928927048.db2.gz OLXQJNTUQOCHNO-CHWSQXEVSA-N 1 1 314.430 -1.175 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)C[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086993 928927474 /nfs/dbraw/zinc/92/74/74/928927474.db2.gz AYLYFXNYRAYEIH-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086993 928927480 /nfs/dbraw/zinc/92/74/80/928927480.db2.gz AYLYFXNYRAYEIH-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001442086780 928928675 /nfs/dbraw/zinc/92/86/75/928928675.db2.gz BFPARFZLZURNRV-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001442086780 928928688 /nfs/dbraw/zinc/92/86/88/928928688.db2.gz BFPARFZLZURNRV-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001442098554 928929334 /nfs/dbraw/zinc/92/93/34/928929334.db2.gz SQFSTKMXIKCGJP-UWVGGRQHSA-N 1 1 313.358 -1.089 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442099170 928929505 /nfs/dbraw/zinc/92/95/05/928929505.db2.gz UHINGMYRSMKOOC-STQMWFEESA-N 1 1 311.382 -1.020 20 0 DAADMO C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)[NH2+]Cc1nccn1C ZINC001442131662 928930399 /nfs/dbraw/zinc/93/03/99/928930399.db2.gz SGCXHOBBHFWLAY-VIFPVBQESA-N 1 1 320.357 -1.595 20 0 DAADMO CCn1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)ccc1=O ZINC001442099498 928930584 /nfs/dbraw/zinc/93/05/84/928930584.db2.gz ULBDZBQKQGZLHL-LLVKDONJSA-N 1 1 312.370 -1.380 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001442115454 928930858 /nfs/dbraw/zinc/93/08/58/928930858.db2.gz KPTNCKBKXLGMKT-NWDGAFQWSA-N 1 1 316.402 -1.156 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001442098559 928930940 /nfs/dbraw/zinc/93/09/40/928930940.db2.gz SQFSTKMXIKCGJP-VHSXEESVSA-N 1 1 313.358 -1.089 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001442187525 928935216 /nfs/dbraw/zinc/93/52/16/928935216.db2.gz DYPIZJMEMXDUKV-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001442187525 928935225 /nfs/dbraw/zinc/93/52/25/928935225.db2.gz DYPIZJMEMXDUKV-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001442192507 928935316 /nfs/dbraw/zinc/93/53/16/928935316.db2.gz OTHRUXNJCVEROP-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO COCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C(C)C ZINC001442187117 928935361 /nfs/dbraw/zinc/93/53/61/928935361.db2.gz GJTBOVHCAWGIST-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1)C(N)=O ZINC001442213013 928936022 /nfs/dbraw/zinc/93/60/22/928936022.db2.gz LMVNODIGWYGSAF-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnn(C)n1 ZINC001442292395 928937614 /nfs/dbraw/zinc/93/76/14/928937614.db2.gz KQOQZKVJMWSFFB-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@@H+](CCNC(=O)CS(C)(=O)=O)C[C@H]1CCNC(=O)CC1 ZINC001442368308 928941042 /nfs/dbraw/zinc/94/10/42/928941042.db2.gz AIAPXXNXUCSTMN-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](OC)C1CC1 ZINC001442395510 928941839 /nfs/dbraw/zinc/94/18/39/928941839.db2.gz OOYAHUOLYCERFL-LLVKDONJSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](OC)C1CC1 ZINC001442395510 928941849 /nfs/dbraw/zinc/94/18/49/928941849.db2.gz OOYAHUOLYCERFL-LLVKDONJSA-N 1 1 300.359 -1.085 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCS1(=O)=O)[C@H]1CCNC1=O ZINC001442407444 928942083 /nfs/dbraw/zinc/94/20/83/928942083.db2.gz DMTNIMGTZFRFEF-JTQLQIEISA-N 1 1 318.399 -2.042 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)[C@H]1CCNC1=O ZINC001442407444 928942091 /nfs/dbraw/zinc/94/20/91/928942091.db2.gz DMTNIMGTZFRFEF-JTQLQIEISA-N 1 1 318.399 -2.042 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001442371387 928942109 /nfs/dbraw/zinc/94/21/09/928942109.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001442371387 928942121 /nfs/dbraw/zinc/94/21/21/928942121.db2.gz GBTKKKFHSIWNKU-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001442388995 928942273 /nfs/dbraw/zinc/94/22/73/928942273.db2.gz HTGSIKPNCCOSJC-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001442388995 928942280 /nfs/dbraw/zinc/94/22/80/928942280.db2.gz HTGSIKPNCCOSJC-UHFFFAOYSA-N 1 1 311.346 -1.585 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001442400824 928942398 /nfs/dbraw/zinc/94/23/98/928942398.db2.gz IENPALJCUFDINW-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001442400824 928942405 /nfs/dbraw/zinc/94/24/05/928942405.db2.gz IENPALJCUFDINW-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO Cn1cc(CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O)cn1 ZINC001442376191 928943157 /nfs/dbraw/zinc/94/31/57/928943157.db2.gz IQCBIMUZVJPDKL-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO Cn1cc(CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)cn1 ZINC001442376191 928943167 /nfs/dbraw/zinc/94/31/67/928943167.db2.gz IQCBIMUZVJPDKL-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001442403879 928943439 /nfs/dbraw/zinc/94/34/39/928943439.db2.gz IMIDNIPYNDSFCH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001442403879 928943448 /nfs/dbraw/zinc/94/34/48/928943448.db2.gz IMIDNIPYNDSFCH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001442403877 928943563 /nfs/dbraw/zinc/94/35/63/928943563.db2.gz IMIDNIPYNDSFCH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001442403877 928943570 /nfs/dbraw/zinc/94/35/70/928943570.db2.gz IMIDNIPYNDSFCH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001442400822 928943582 /nfs/dbraw/zinc/94/35/82/928943582.db2.gz IENPALJCUFDINW-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001442400822 928943588 /nfs/dbraw/zinc/94/35/88/928943588.db2.gz IENPALJCUFDINW-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)c1 ZINC001442370199 928943606 /nfs/dbraw/zinc/94/36/06/928943606.db2.gz SDQBNYRZRKAKJU-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)c1 ZINC001442370199 928943612 /nfs/dbraw/zinc/94/36/12/928943612.db2.gz SDQBNYRZRKAKJU-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442395582 928944324 /nfs/dbraw/zinc/94/43/24/928944324.db2.gz XTSBMDPAUYFMFV-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442395582 928944335 /nfs/dbraw/zinc/94/43/35/928944335.db2.gz XTSBMDPAUYFMFV-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442419131 928945353 /nfs/dbraw/zinc/94/53/53/928945353.db2.gz WDFCGOFEOHTCPT-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442419131 928945363 /nfs/dbraw/zinc/94/53/63/928945363.db2.gz WDFCGOFEOHTCPT-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n1CCC2)CC(=O)NC(N)=O ZINC001442423013 928945890 /nfs/dbraw/zinc/94/58/90/928945890.db2.gz MWMSOXAXYIJWLL-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n1CCC2)CC(=O)NC(N)=O ZINC001442423013 928945894 /nfs/dbraw/zinc/94/58/94/928945894.db2.gz MWMSOXAXYIJWLL-UHFFFAOYSA-N 1 1 308.342 -1.314 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCn2cncn2)cc1=O ZINC001442422639 928945948 /nfs/dbraw/zinc/94/59/48/928945948.db2.gz LFDHZHFFVNPORB-UHFFFAOYSA-N 1 1 305.342 -1.266 20 0 DAADMO C[N@H+](CCNC(=O)[C@]1(C)CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442438176 928946441 /nfs/dbraw/zinc/94/64/41/928946441.db2.gz WHMJLMIBBLIDDW-CYBMUJFWSA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442438176 928946447 /nfs/dbraw/zinc/94/64/47/928946447.db2.gz WHMJLMIBBLIDDW-CYBMUJFWSA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@@H]1CCOC1 ZINC001442411138 928946534 /nfs/dbraw/zinc/94/65/34/928946534.db2.gz LFHSAUILBZRIGA-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001442479376 928947997 /nfs/dbraw/zinc/94/79/97/928947997.db2.gz CXGYOXSGYHIOLC-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001442479376 928948006 /nfs/dbraw/zinc/94/80/06/928948006.db2.gz CXGYOXSGYHIOLC-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001442496380 928950818 /nfs/dbraw/zinc/95/08/18/928950818.db2.gz ZBUJKRQJZVBWQA-NXEZZACHSA-N 1 1 320.357 -1.112 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001442486891 928951642 /nfs/dbraw/zinc/95/16/42/928951642.db2.gz LXMRCHAUQHNPSE-UHFFFAOYSA-N 1 1 305.364 -2.579 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001442486891 928951649 /nfs/dbraw/zinc/95/16/49/928951649.db2.gz LXMRCHAUQHNPSE-UHFFFAOYSA-N 1 1 305.364 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442586351 928952342 /nfs/dbraw/zinc/95/23/42/928952342.db2.gz BLNYUUAQSMDYGV-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442586351 928952351 /nfs/dbraw/zinc/95/23/51/928952351.db2.gz BLNYUUAQSMDYGV-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO COc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001442571341 928952585 /nfs/dbraw/zinc/95/25/85/928952585.db2.gz RPYFEXDFWBPVRW-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO COc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001442571341 928952596 /nfs/dbraw/zinc/95/25/96/928952596.db2.gz RPYFEXDFWBPVRW-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO CCNC(=O)CN(C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001442553559 928952903 /nfs/dbraw/zinc/95/29/03/928952903.db2.gz JRNIMCRAJDTXGY-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001442518696 928953374 /nfs/dbraw/zinc/95/33/74/928953374.db2.gz ZHQAHLPVHXDZSE-UHFFFAOYSA-N 1 1 311.346 -2.009 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001442518696 928953382 /nfs/dbraw/zinc/95/33/82/928953382.db2.gz ZHQAHLPVHXDZSE-UHFFFAOYSA-N 1 1 311.346 -2.009 20 0 DAADMO C[N@H+](CCNC(=O)c1ccn2nnnc2c1)[C@@H]1CCNC1=O ZINC001442554433 928953688 /nfs/dbraw/zinc/95/36/88/928953688.db2.gz BBTPHGHLOCTDEN-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccn2nnnc2c1)[C@@H]1CCNC1=O ZINC001442554433 928953697 /nfs/dbraw/zinc/95/36/97/928953697.db2.gz BBTPHGHLOCTDEN-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)n1 ZINC001442553981 928954768 /nfs/dbraw/zinc/95/47/68/928954768.db2.gz LBQNJPDBFOZCOO-NSHDSACASA-N 1 1 307.358 -1.266 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NCC[N@H+](C)CCF)nn1 ZINC001442619007 928955483 /nfs/dbraw/zinc/95/54/83/928955483.db2.gz JZQZWRWHWGDSOH-UHFFFAOYSA-N 1 1 300.338 -1.003 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NCC[N@@H+](C)CCF)nn1 ZINC001442619007 928955493 /nfs/dbraw/zinc/95/54/93/928955493.db2.gz JZQZWRWHWGDSOH-UHFFFAOYSA-N 1 1 300.338 -1.003 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442601395 928955829 /nfs/dbraw/zinc/95/58/29/928955829.db2.gz HNLMCWAPXKTVAJ-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442601395 928955840 /nfs/dbraw/zinc/95/58/40/928955840.db2.gz HNLMCWAPXKTVAJ-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442601409 928956452 /nfs/dbraw/zinc/95/64/52/928956452.db2.gz HNLMCWAPXKTVAJ-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001442601409 928956457 /nfs/dbraw/zinc/95/64/57/928956457.db2.gz HNLMCWAPXKTVAJ-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCCC(N)=O ZINC001442611226 928956714 /nfs/dbraw/zinc/95/67/14/928956714.db2.gz NDVPJHOZOFOSOL-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCCC(N)=O ZINC001442611226 928956720 /nfs/dbraw/zinc/95/67/20/928956720.db2.gz NDVPJHOZOFOSOL-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001442587931 928957036 /nfs/dbraw/zinc/95/70/36/928957036.db2.gz AOLVSDBVMWCNEQ-QMMMGPOBSA-N 1 1 308.342 -1.628 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001442587931 928957046 /nfs/dbraw/zinc/95/70/46/928957046.db2.gz AOLVSDBVMWCNEQ-QMMMGPOBSA-N 1 1 308.342 -1.628 20 0 DAADMO Cc1nc[nH]c1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442597007 928957432 /nfs/dbraw/zinc/95/74/32/928957432.db2.gz RMMPJGLDEIEEDU-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442597007 928957442 /nfs/dbraw/zinc/95/74/42/928957442.db2.gz RMMPJGLDEIEEDU-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001442635221 928959248 /nfs/dbraw/zinc/95/92/48/928959248.db2.gz XGQOTWNTVCUKBK-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H](C)C(=O)N(C)C ZINC001442700763 928960346 /nfs/dbraw/zinc/96/03/46/928960346.db2.gz HXMHHYDIRUNZKH-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H](C)C(=O)N(C)C ZINC001442700763 928960356 /nfs/dbraw/zinc/96/03/56/928960356.db2.gz HXMHHYDIRUNZKH-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@@H]1CCNC1=O ZINC001442682997 928960487 /nfs/dbraw/zinc/96/04/87/928960487.db2.gz RONGRPADMDQAJV-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)c1nnn(C)n1 ZINC001442687702 928961403 /nfs/dbraw/zinc/96/14/03/928961403.db2.gz QRLBCOPSMUREDI-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1=O)[C@H](C)C(=O)NC ZINC001442675786 928961800 /nfs/dbraw/zinc/96/18/00/928961800.db2.gz OPPILOXGJKHNLB-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@H](C)C(=O)NC ZINC001442675786 928961811 /nfs/dbraw/zinc/96/18/11/928961811.db2.gz OPPILOXGJKHNLB-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442714863 928963145 /nfs/dbraw/zinc/96/31/45/928963145.db2.gz JWMRPZRPXNECBU-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442714863 928963150 /nfs/dbraw/zinc/96/31/50/928963150.db2.gz JWMRPZRPXNECBU-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)CC(=O)NC(N)=O ZINC001442716377 928964142 /nfs/dbraw/zinc/96/41/42/928964142.db2.gz JIKPOVDJFUZLFC-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001442783381 928965768 /nfs/dbraw/zinc/96/57/68/928965768.db2.gz MBYFFZWHMLYHSI-GFCCVEGCSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001442783381 928965779 /nfs/dbraw/zinc/96/57/79/928965779.db2.gz MBYFFZWHMLYHSI-GFCCVEGCSA-N 1 1 319.365 -1.123 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442746873 928965803 /nfs/dbraw/zinc/96/58/03/928965803.db2.gz GTBBCHKEDYGNDQ-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442746300 928966496 /nfs/dbraw/zinc/96/64/96/928966496.db2.gz YYLUHGUQSYXVEW-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442795470 928968110 /nfs/dbraw/zinc/96/81/10/928968110.db2.gz BAAXVLXTOSLIJZ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442795470 928968119 /nfs/dbraw/zinc/96/81/19/928968119.db2.gz BAAXVLXTOSLIJZ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001442825458 928968209 /nfs/dbraw/zinc/96/82/09/928968209.db2.gz WBBGCOZMTDYTGG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001442825458 928968216 /nfs/dbraw/zinc/96/82/16/928968216.db2.gz WBBGCOZMTDYTGG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001442786978 928968918 /nfs/dbraw/zinc/96/89/18/928968918.db2.gz KXYGZMNXJYIJQL-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001442786978 928968926 /nfs/dbraw/zinc/96/89/26/928968926.db2.gz KXYGZMNXJYIJQL-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c(=O)n1C ZINC001442813383 928969508 /nfs/dbraw/zinc/96/95/08/928969508.db2.gz PBICAHSQPMGQKM-SNVBAGLBSA-N 1 1 310.358 -2.044 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c(=O)n1C ZINC001442813383 928969520 /nfs/dbraw/zinc/96/95/20/928969520.db2.gz PBICAHSQPMGQKM-SNVBAGLBSA-N 1 1 310.358 -2.044 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001442850764 928971043 /nfs/dbraw/zinc/97/10/43/928971043.db2.gz GXVFHHUOILJZPY-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001442850755 928971477 /nfs/dbraw/zinc/97/14/77/928971477.db2.gz GXVFHHUOILJZPY-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001442843960 928971637 /nfs/dbraw/zinc/97/16/37/928971637.db2.gz ZMJJXUTUMHAEQE-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001442833237 928972247 /nfs/dbraw/zinc/97/22/47/928972247.db2.gz CSJHLQRIFISRLY-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001442833237 928972252 /nfs/dbraw/zinc/97/22/52/928972252.db2.gz CSJHLQRIFISRLY-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442838807 928972344 /nfs/dbraw/zinc/97/23/44/928972344.db2.gz KHLDCDWLQDZGMP-SCZZXKLOSA-N 1 1 313.358 -1.856 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442838806 928972706 /nfs/dbraw/zinc/97/27/06/928972706.db2.gz KHLDCDWLQDZGMP-PSASIEDQSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001442855385 928972977 /nfs/dbraw/zinc/97/29/77/928972977.db2.gz MUHKIZZCISKIIR-QWRGUYRKSA-N 1 1 302.375 -1.639 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001442873220 928974740 /nfs/dbraw/zinc/97/47/40/928974740.db2.gz BCEAXRQDLIIPIH-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001442873220 928974749 /nfs/dbraw/zinc/97/47/49/928974749.db2.gz BCEAXRQDLIIPIH-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001442880028 928974931 /nfs/dbraw/zinc/97/49/31/928974931.db2.gz JKUBTFABQXNJNT-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001442873225 928975217 /nfs/dbraw/zinc/97/52/17/928975217.db2.gz BCEAXRQDLIIPIH-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001442873225 928975227 /nfs/dbraw/zinc/97/52/27/928975227.db2.gz BCEAXRQDLIIPIH-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001442874219 928975334 /nfs/dbraw/zinc/97/53/34/928975334.db2.gz GJZFAPLUNFJJDD-SECBINFHSA-N 1 1 321.403 -2.776 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001442892824 928977880 /nfs/dbraw/zinc/97/78/80/928977880.db2.gz XMJAQOUJKLXINL-JTQLQIEISA-N 1 1 309.374 -1.214 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H]1CCNC1=O ZINC001442960887 928980464 /nfs/dbraw/zinc/98/04/64/928980464.db2.gz XZHTTXMHZYTILL-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)CC(N)=O ZINC001442971752 928981319 /nfs/dbraw/zinc/98/13/19/928981319.db2.gz YKPXPDBYAMNTBG-UHFFFAOYSA-N 1 1 312.374 -1.796 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)CC(N)=O ZINC001442971752 928981330 /nfs/dbraw/zinc/98/13/30/928981330.db2.gz YKPXPDBYAMNTBG-UHFFFAOYSA-N 1 1 312.374 -1.796 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001442991848 928982474 /nfs/dbraw/zinc/98/24/74/928982474.db2.gz DLASVFASLJTCQN-SNVBAGLBSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001442991848 928982488 /nfs/dbraw/zinc/98/24/88/928982488.db2.gz DLASVFASLJTCQN-SNVBAGLBSA-N 1 1 321.385 -1.079 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1cccn2nnnc12)C1CC1 ZINC001442994732 928984310 /nfs/dbraw/zinc/98/43/10/928984310.db2.gz IIUYGVWLILPJNS-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1cccn2nnnc12)C1CC1 ZINC001442994732 928984321 /nfs/dbraw/zinc/98/43/21/928984321.db2.gz IIUYGVWLILPJNS-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001443002053 928984698 /nfs/dbraw/zinc/98/46/98/928984698.db2.gz ZOYVADKNYOPSFM-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001443002053 928984705 /nfs/dbraw/zinc/98/47/05/928984705.db2.gz ZOYVADKNYOPSFM-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C1CC1)[C@@H]1CCN(C)C1=O ZINC001443000043 928984894 /nfs/dbraw/zinc/98/48/94/928984894.db2.gz WRLYOIKIQILFPH-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCN(C)C1=O ZINC001443000043 928984899 /nfs/dbraw/zinc/98/48/99/928984899.db2.gz WRLYOIKIQILFPH-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(CC(=O)NC(N)=O)C1CC1 ZINC001443026159 928987108 /nfs/dbraw/zinc/98/71/08/928987108.db2.gz CHDXTYUXMRBDAR-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)c3cnon3)C2)C1 ZINC001443033996 928987189 /nfs/dbraw/zinc/98/71/89/928987189.db2.gz HGCNETKHQVCHSK-JTQLQIEISA-N 1 1 323.353 -1.286 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001443035786 928987362 /nfs/dbraw/zinc/98/73/62/928987362.db2.gz ZLIYGMCWPHNHMJ-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001443035786 928987367 /nfs/dbraw/zinc/98/73/67/928987367.db2.gz ZLIYGMCWPHNHMJ-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001443052084 928989054 /nfs/dbraw/zinc/98/90/54/928989054.db2.gz QRQJJJDGBUKPMZ-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001443052084 928989060 /nfs/dbraw/zinc/98/90/60/928989060.db2.gz QRQJJJDGBUKPMZ-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H]([NH2+][C@H](CNC(=O)Cn1ncnn1)c1ccccc1)C(N)=O ZINC001443148727 928991328 /nfs/dbraw/zinc/99/13/28/928991328.db2.gz XUEPMHAOCMQLTI-CMPLNLGQSA-N 1 1 317.353 -1.006 20 0 DAADMO C[C@H]([NH2+][C@@H](CNC(=O)Cn1ncnn1)c1ccccc1)C(N)=O ZINC001443148732 928992321 /nfs/dbraw/zinc/99/23/21/928992321.db2.gz XUEPMHAOCMQLTI-JQWIXIFHSA-N 1 1 317.353 -1.006 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001443214654 928994614 /nfs/dbraw/zinc/99/46/14/928994614.db2.gz DPMRQCILZWASTG-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001443187267 928994790 /nfs/dbraw/zinc/99/47/90/928994790.db2.gz WTAIOUIGULNVQS-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001443187267 928994795 /nfs/dbraw/zinc/99/47/95/928994795.db2.gz WTAIOUIGULNVQS-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443246671 928996557 /nfs/dbraw/zinc/99/65/57/928996557.db2.gz GXQBNOSZLMAYNU-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001443310147 928999105 /nfs/dbraw/zinc/99/91/05/928999105.db2.gz LIQHOKBYWRMXOB-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CCF)C1 ZINC001443317174 928999363 /nfs/dbraw/zinc/99/93/63/928999363.db2.gz DLFFXKNFMDYUAS-JTQLQIEISA-N 1 1 310.395 -1.210 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001443325920 929000076 /nfs/dbraw/zinc/00/00/76/929000076.db2.gz RMRHUCLCVUASQG-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001443336448 929000898 /nfs/dbraw/zinc/00/08/98/929000898.db2.gz LUGJTGDEFPTQBT-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443340308 929001262 /nfs/dbraw/zinc/00/12/62/929001262.db2.gz ZXSRTJBLNVIREP-NWDGAFQWSA-N 1 1 323.401 -1.070 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335408 929001346 /nfs/dbraw/zinc/00/13/46/929001346.db2.gz PBAQTOSFMNKIIK-UWVGGRQHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443340325 929001796 /nfs/dbraw/zinc/00/17/96/929001796.db2.gz ZXSRTJBLNVIREP-VXGBXAGGSA-N 1 1 323.401 -1.070 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001443336455 929001945 /nfs/dbraw/zinc/00/19/45/929001945.db2.gz LUGJTGDEFPTQBT-MNOVXSKESA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001443344803 929001959 /nfs/dbraw/zinc/00/19/59/929001959.db2.gz UPCVYDHXISRMDB-WDEREUQCSA-N 1 1 324.385 -1.462 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001443329342 929002007 /nfs/dbraw/zinc/00/20/07/929002007.db2.gz POAHCKUGBGMLTG-SECBINFHSA-N 1 1 323.357 -1.596 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337961 929002028 /nfs/dbraw/zinc/00/20/28/929002028.db2.gz MVJCSMHMTVXXRA-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001443473784 929006030 /nfs/dbraw/zinc/00/60/30/929006030.db2.gz HJMNWGQKUANLRM-SNVBAGLBSA-N 1 1 322.431 -1.440 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001443480217 929006272 /nfs/dbraw/zinc/00/62/72/929006272.db2.gz IHUWFZMRNGDTFB-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001443538371 929012626 /nfs/dbraw/zinc/01/26/26/929012626.db2.gz CNBURPICKWNIHA-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001443557088 929014490 /nfs/dbraw/zinc/01/44/90/929014490.db2.gz MUUPZIPTARUTPN-LBPRGKRZSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(CCn1ccnn1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001443579506 929017386 /nfs/dbraw/zinc/01/73/86/929017386.db2.gz KNVOJCNYMYUJTC-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001443668255 929021084 /nfs/dbraw/zinc/02/10/84/929021084.db2.gz BOTKCHNCDNSUIP-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001443698058 929024037 /nfs/dbraw/zinc/02/40/37/929024037.db2.gz LHYXRUUCODFYHC-SDDRHHMPSA-N 1 1 324.385 -1.509 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759823 929024830 /nfs/dbraw/zinc/02/48/30/929024830.db2.gz PEWFLQZDFLTAES-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759823 929024842 /nfs/dbraw/zinc/02/48/42/929024842.db2.gz PEWFLQZDFLTAES-WDEREUQCSA-N 1 1 324.385 -1.278 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744840 929025709 /nfs/dbraw/zinc/02/57/09/929025709.db2.gz VEAWNRRJMCXBRL-ZYHUDNBSSA-N 1 1 313.402 -1.700 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744840 929025722 /nfs/dbraw/zinc/02/57/22/929025722.db2.gz VEAWNRRJMCXBRL-ZYHUDNBSSA-N 1 1 313.402 -1.700 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001443757693 929026337 /nfs/dbraw/zinc/02/63/37/929026337.db2.gz VCDGNONRQAKIRF-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001443757693 929026348 /nfs/dbraw/zinc/02/63/48/929026348.db2.gz VCDGNONRQAKIRF-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C(=O)Cc1cnn(C)c1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443800687 929027520 /nfs/dbraw/zinc/02/75/20/929027520.db2.gz FLVJYBVHCQHBGW-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C(=O)Cc1cnn(C)c1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443800687 929027533 /nfs/dbraw/zinc/02/75/33/929027533.db2.gz FLVJYBVHCQHBGW-LLVKDONJSA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001443795279 929027952 /nfs/dbraw/zinc/02/79/52/929027952.db2.gz MAZJFEXTHXVKLJ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCCCN2C(=O)CNC2=O)C1 ZINC001443772336 929028283 /nfs/dbraw/zinc/02/82/83/929028283.db2.gz YQVKRAAFSLIZSC-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO CN(C(=O)Cc1cncn1C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443832118 929029669 /nfs/dbraw/zinc/02/96/69/929029669.db2.gz KCJMNWDPTLRQED-JTQLQIEISA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C(=O)Cc1cncn1C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443832118 929029682 /nfs/dbraw/zinc/02/96/82/929029682.db2.gz KCJMNWDPTLRQED-JTQLQIEISA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443833619 929029930 /nfs/dbraw/zinc/02/99/30/929029930.db2.gz QYGHVNVXSCATQR-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443833619 929029940 /nfs/dbraw/zinc/02/99/40/929029940.db2.gz QYGHVNVXSCATQR-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001443820741 929029982 /nfs/dbraw/zinc/02/99/82/929029982.db2.gz QXIMCMMVIHCJBN-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001443825399 929030892 /nfs/dbraw/zinc/03/08/92/929030892.db2.gz ZIJSLHFBAOEKBV-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cnccc2=O)C1 ZINC001443831659 929031827 /nfs/dbraw/zinc/03/18/27/929031827.db2.gz JDCIZTQXWMTLJJ-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cnccc2=O)C1 ZINC001443831659 929031841 /nfs/dbraw/zinc/03/18/41/929031841.db2.gz JDCIZTQXWMTLJJ-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001443876047 929033257 /nfs/dbraw/zinc/03/32/57/929033257.db2.gz VIOFQSDJOFIOAG-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO CC[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001443917165 929036645 /nfs/dbraw/zinc/03/66/45/929036645.db2.gz MIZGLUYKVCRHNI-BDAKNGLRSA-N 1 1 312.378 -1.359 20 0 DAADMO CC[C@H](CNC(=O)CCNC(=O)NC)[NH2+]Cc1nnnn1C ZINC001443927967 929036920 /nfs/dbraw/zinc/03/69/20/929036920.db2.gz DYEGWFGZRGNCPD-SECBINFHSA-N 1 1 312.378 -1.486 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001443973233 929038958 /nfs/dbraw/zinc/03/89/58/929038958.db2.gz QJYCPCUUAQEKET-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001444056465 929043364 /nfs/dbraw/zinc/04/33/64/929043364.db2.gz AKOWZPAYXZKVLJ-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056422 929044568 /nfs/dbraw/zinc/04/45/68/929044568.db2.gz IQUQKWXSMZWCTB-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001444056422 929044578 /nfs/dbraw/zinc/04/45/78/929044578.db2.gz IQUQKWXSMZWCTB-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001444072512 929048862 /nfs/dbraw/zinc/04/88/62/929048862.db2.gz WXCSHKGUJYMSGF-LBPRGKRZSA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001444093664 929050947 /nfs/dbraw/zinc/05/09/47/929050947.db2.gz JGGGCPUHCUCFRD-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001444093659 929051078 /nfs/dbraw/zinc/05/10/78/929051078.db2.gz JGGGCPUHCUCFRD-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001444098582 929053217 /nfs/dbraw/zinc/05/32/17/929053217.db2.gz CEFWTCFODAMTFH-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001444105739 929056920 /nfs/dbraw/zinc/05/69/20/929056920.db2.gz LMGARNHVQMUXBH-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001444110872 929057863 /nfs/dbraw/zinc/05/78/63/929057863.db2.gz AJIWCUSNYIQHJF-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001444111068 929058010 /nfs/dbraw/zinc/05/80/10/929058010.db2.gz BVFOREBAVHCDDF-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001444110860 929058065 /nfs/dbraw/zinc/05/80/65/929058065.db2.gz AJIWCUSNYIQHJF-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444108482 929058813 /nfs/dbraw/zinc/05/88/13/929058813.db2.gz JHQWLTMAKCYFRO-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444108482 929058822 /nfs/dbraw/zinc/05/88/22/929058822.db2.gz JHQWLTMAKCYFRO-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1cnn(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001444115050 929060726 /nfs/dbraw/zinc/06/07/26/929060726.db2.gz RFGNJBQPPXLGDR-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001444118670 929061613 /nfs/dbraw/zinc/06/16/13/929061613.db2.gz JWPIFWCUKVTGPT-LLVKDONJSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001444118673 929062331 /nfs/dbraw/zinc/06/23/31/929062331.db2.gz JWPIFWCUKVTGPT-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nccnc1N ZINC001444131043 929068026 /nfs/dbraw/zinc/06/80/26/929068026.db2.gz UOAVYNFLSQYSFO-NXEZZACHSA-N 1 1 322.369 -1.640 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O ZINC001444159245 929070850 /nfs/dbraw/zinc/07/08/50/929070850.db2.gz QAWYCSVDOJMLTO-MNOVXSKESA-N 1 1 301.387 -1.165 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001444154153 929071259 /nfs/dbraw/zinc/07/12/59/929071259.db2.gz WYEKWIAYJJVROC-IVZWLZJFSA-N 1 1 315.374 -2.269 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CC1(O)CCC1 ZINC001444167109 929073004 /nfs/dbraw/zinc/07/30/04/929073004.db2.gz DLBVBEYXCDQALP-RYUDHWBXSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444184771 929078411 /nfs/dbraw/zinc/07/84/11/929078411.db2.gz GIWDFOXJAYXPAD-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001444183067 929079311 /nfs/dbraw/zinc/07/93/11/929079311.db2.gz BMQXMHGLFZPWMP-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCn2ccnn2)C1 ZINC001444187361 929080804 /nfs/dbraw/zinc/08/08/04/929080804.db2.gz KGMJGGVZKJPDES-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444186983 929081588 /nfs/dbraw/zinc/08/15/88/929081588.db2.gz XNJSPQSXQUTSER-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnnn2C)CC[N@H+]1C ZINC001444190205 929082176 /nfs/dbraw/zinc/08/21/76/929082176.db2.gz FTVUYIUGWHSCIG-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n(C)n1 ZINC001444193669 929082578 /nfs/dbraw/zinc/08/25/78/929082578.db2.gz VFWGPHOLFLODIG-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1ccnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001444189500 929083450 /nfs/dbraw/zinc/08/34/50/929083450.db2.gz MZGXBLSKMJFIPD-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cccnn1 ZINC001444196434 929085500 /nfs/dbraw/zinc/08/55/00/929085500.db2.gz RNJCQCYWPJHDBQ-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001444213307 929085974 /nfs/dbraw/zinc/08/59/74/929085974.db2.gz AGJAOYWLOJALEP-WCQYABFASA-N 1 1 303.403 -1.063 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1cncn1 ZINC001444219324 929086300 /nfs/dbraw/zinc/08/63/00/929086300.db2.gz HCNJBLWPBOJXNN-NSHDSACASA-N 1 1 312.374 -1.788 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001444212997 929087135 /nfs/dbraw/zinc/08/71/35/929087135.db2.gz AGJAOYWLOJALEP-DGCLKSJQSA-N 1 1 303.403 -1.063 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224539 929089226 /nfs/dbraw/zinc/08/92/26/929089226.db2.gz XEMDXWFLHMSPHB-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001444224539 929089239 /nfs/dbraw/zinc/08/92/39/929089239.db2.gz XEMDXWFLHMSPHB-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO O=C(CC[NH+]1CCCCC1)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001444239309 929090843 /nfs/dbraw/zinc/09/08/43/929090843.db2.gz VIMJNFOEOBFNFX-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1 ZINC001444235457 929091058 /nfs/dbraw/zinc/09/10/58/929091058.db2.gz VJTHFLYFXRZYIX-GFCCVEGCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001444246860 929091650 /nfs/dbraw/zinc/09/16/50/929091650.db2.gz FPHHYNFTXUREOK-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001444239680 929092305 /nfs/dbraw/zinc/09/23/05/929092305.db2.gz WFFWKAQMLLVAEV-ONGXEEELSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001444251025 929093749 /nfs/dbraw/zinc/09/37/49/929093749.db2.gz WUUPYVFQVRPODU-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccncn1 ZINC001444280812 929101912 /nfs/dbraw/zinc/10/19/12/929101912.db2.gz RFSDKBVWOMHWNR-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cnnn1C ZINC001444278526 929102225 /nfs/dbraw/zinc/10/22/25/929102225.db2.gz YBTLVTGQYINNGL-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccncn1 ZINC001444280824 929102423 /nfs/dbraw/zinc/10/24/23/929102423.db2.gz RFSDKBVWOMHWNR-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1nnn(C)n1 ZINC001444299996 929106790 /nfs/dbraw/zinc/10/67/90/929106790.db2.gz SANKOWUTEYRTRM-ZJUUUORDSA-N 1 1 307.362 -1.095 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1nnn(C)n1 ZINC001444299983 929106818 /nfs/dbraw/zinc/10/68/18/929106818.db2.gz SANKOWUTEYRTRM-UWVGGRQHSA-N 1 1 307.362 -1.095 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)n1 ZINC001444307016 929108368 /nfs/dbraw/zinc/10/83/68/929108368.db2.gz HIMXFARTSQRXNT-VIFPVBQESA-N 1 1 307.362 -1.023 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)C1 ZINC001444342129 929114290 /nfs/dbraw/zinc/11/42/90/929114290.db2.gz HGJFJMHTDRUBMV-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001444342929 929114508 /nfs/dbraw/zinc/11/45/08/929114508.db2.gz RLIZFJSLLGTRRB-QWRGUYRKSA-N 1 1 310.358 -2.177 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001444349136 929115995 /nfs/dbraw/zinc/11/59/95/929115995.db2.gz LZSHTEAEYXOJCS-RKDXNWHRSA-N 1 1 310.362 -1.924 20 0 DAADMO C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)CCC1 ZINC001444344397 929116145 /nfs/dbraw/zinc/11/61/45/929116145.db2.gz UBDAQWAACGKJJW-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438686 929121672 /nfs/dbraw/zinc/12/16/72/929121672.db2.gz CHCCQXXKVHRRLG-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438686 929121679 /nfs/dbraw/zinc/12/16/79/929121679.db2.gz CHCCQXXKVHRRLG-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC001444428302 929121695 /nfs/dbraw/zinc/12/16/95/929121695.db2.gz CLURRTYHBUBKEA-CYBMUJFWSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443241 929124482 /nfs/dbraw/zinc/12/44/82/929124482.db2.gz BVIGUGLUDDQELP-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443241 929124487 /nfs/dbraw/zinc/12/44/87/929124487.db2.gz BVIGUGLUDDQELP-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001444477742 929126375 /nfs/dbraw/zinc/12/63/75/929126375.db2.gz OLIZTXYQWBXFCX-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001444477742 929126378 /nfs/dbraw/zinc/12/63/78/929126378.db2.gz OLIZTXYQWBXFCX-VHSXEESVSA-N 1 1 309.388 -2.267 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cccn1 ZINC001444590728 929132176 /nfs/dbraw/zinc/13/21/76/929132176.db2.gz DOXPKIHZWWCHEA-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444604063 929133201 /nfs/dbraw/zinc/13/32/01/929133201.db2.gz XKLRJTUTMRWTCB-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444604063 929133210 /nfs/dbraw/zinc/13/32/10/929133210.db2.gz XKLRJTUTMRWTCB-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444604066 929133493 /nfs/dbraw/zinc/13/34/93/929133493.db2.gz XKLRJTUTMRWTCB-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444604066 929133501 /nfs/dbraw/zinc/13/35/01/929133501.db2.gz XKLRJTUTMRWTCB-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001444630072 929136983 /nfs/dbraw/zinc/13/69/83/929136983.db2.gz RGBBYJQSAWSESQ-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO CC(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444634951 929138356 /nfs/dbraw/zinc/13/83/56/929138356.db2.gz YSJKOXCBYWPXJJ-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444634951 929138363 /nfs/dbraw/zinc/13/83/63/929138363.db2.gz YSJKOXCBYWPXJJ-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@H]1CCNC1=O ZINC001444638614 929138405 /nfs/dbraw/zinc/13/84/05/929138405.db2.gz UAUFOMNHEJNBQU-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CC(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444634948 929139298 /nfs/dbraw/zinc/13/92/98/929139298.db2.gz YSJKOXCBYWPXJJ-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444634948 929139301 /nfs/dbraw/zinc/13/93/01/929139301.db2.gz YSJKOXCBYWPXJJ-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444654635 929139989 /nfs/dbraw/zinc/13/99/89/929139989.db2.gz QLKSBJJHUJFSLW-WDEREUQCSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444654629 929140082 /nfs/dbraw/zinc/14/00/82/929140082.db2.gz QLKSBJJHUJFSLW-MNOVXSKESA-N 1 1 324.385 -1.386 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn(C)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444655608 929140594 /nfs/dbraw/zinc/14/05/94/929140594.db2.gz RRURMIQCNVGSGC-AAEUAGOBSA-N 1 1 323.397 -1.079 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)[C@H](C)C[NH2+]Cc1nnnn1C ZINC001444663199 929142070 /nfs/dbraw/zinc/14/20/70/929142070.db2.gz HAXDKEGBSGSWGB-NXEZZACHSA-N 1 1 300.363 -1.192 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001444682534 929144310 /nfs/dbraw/zinc/14/43/10/929144310.db2.gz GXIJWOSBYMUHFK-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705263 929146514 /nfs/dbraw/zinc/14/65/14/929146514.db2.gz JUXSJAPYXGNQRI-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705263 929146518 /nfs/dbraw/zinc/14/65/18/929146518.db2.gz JUXSJAPYXGNQRI-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705258 929146554 /nfs/dbraw/zinc/14/65/54/929146554.db2.gz JUXSJAPYXGNQRI-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001444705258 929146560 /nfs/dbraw/zinc/14/65/60/929146560.db2.gz JUXSJAPYXGNQRI-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001444710893 929148287 /nfs/dbraw/zinc/14/82/87/929148287.db2.gz FWDVBZUOHOBQQF-JTQLQIEISA-N 1 1 313.358 -1.041 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cnon1 ZINC001444711346 929148683 /nfs/dbraw/zinc/14/86/83/929148683.db2.gz GWMUAGOBZJCWIT-KOLCDFICSA-N 1 1 311.342 -1.287 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001444797725 929154856 /nfs/dbraw/zinc/15/48/56/929154856.db2.gz WPMJMWMYRMZBTD-NXEZZACHSA-N 1 1 324.389 -1.405 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)Cn1cnnn1 ZINC001444946598 929157314 /nfs/dbraw/zinc/15/73/14/929157314.db2.gz FEGDGCCRAWBWLI-NSHDSACASA-N 1 1 319.373 -1.158 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001444986866 929158926 /nfs/dbraw/zinc/15/89/26/929158926.db2.gz IPPDAIIPGIQGLO-VIFPVBQESA-N 1 1 313.358 -1.950 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001444986866 929158931 /nfs/dbraw/zinc/15/89/31/929158931.db2.gz IPPDAIIPGIQGLO-VIFPVBQESA-N 1 1 313.358 -1.950 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CN1CCOCC1 ZINC001444968773 929158988 /nfs/dbraw/zinc/15/89/88/929158988.db2.gz CCINUDAPPCXABP-UHFFFAOYSA-N 1 1 315.374 -2.096 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CN1CCOCC1 ZINC001444968773 929158992 /nfs/dbraw/zinc/15/89/92/929158992.db2.gz CCINUDAPPCXABP-UHFFFAOYSA-N 1 1 315.374 -2.096 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)Cc1nnnn1C ZINC001444963400 929159201 /nfs/dbraw/zinc/15/92/01/929159201.db2.gz HOVUDZKJZDUUPP-NSHDSACASA-N 1 1 311.390 -1.569 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1nnnn1C ZINC001444963400 929159208 /nfs/dbraw/zinc/15/92/08/929159208.db2.gz HOVUDZKJZDUUPP-NSHDSACASA-N 1 1 311.390 -1.569 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1cnnn1C ZINC001444971904 929159251 /nfs/dbraw/zinc/15/92/51/929159251.db2.gz ODOSUDWRKCMZPW-UHFFFAOYSA-N 1 1 309.374 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001445013190 929159293 /nfs/dbraw/zinc/15/92/93/929159293.db2.gz IWORAOPVCVYPIV-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001445013190 929159303 /nfs/dbraw/zinc/15/93/03/929159303.db2.gz IWORAOPVCVYPIV-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001444996360 929159952 /nfs/dbraw/zinc/15/99/52/929159952.db2.gz UWZDXSWZAINGJB-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001445025860 929162491 /nfs/dbraw/zinc/16/24/91/929162491.db2.gz GWGZHQDYYQMSLY-UHFFFAOYSA-N 1 1 312.330 -1.676 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001445025860 929162501 /nfs/dbraw/zinc/16/25/01/929162501.db2.gz GWGZHQDYYQMSLY-UHFFFAOYSA-N 1 1 312.330 -1.676 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001445090529 929163241 /nfs/dbraw/zinc/16/32/41/929163241.db2.gz LPDNQFISJVCXEQ-JTQLQIEISA-N 1 1 310.358 -1.143 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001445090529 929163248 /nfs/dbraw/zinc/16/32/48/929163248.db2.gz LPDNQFISJVCXEQ-JTQLQIEISA-N 1 1 310.358 -1.143 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001445129467 929164173 /nfs/dbraw/zinc/16/41/73/929164173.db2.gz HHLVZCOLZYGUEG-JTQLQIEISA-N 1 1 310.358 -1.996 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1)c1nncn1C ZINC001445131463 929164607 /nfs/dbraw/zinc/16/46/07/929164607.db2.gz IUCKFBYTBKGNAA-KOLCDFICSA-N 1 1 307.358 -1.010 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H](O)C[NH2+]Cc1coc(C2CC2)n1 ZINC001445127469 929164762 /nfs/dbraw/zinc/16/47/62/929164762.db2.gz FAXRNKMRBQBXPO-NSHDSACASA-N 1 1 321.341 -1.195 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001445129473 929164993 /nfs/dbraw/zinc/16/49/93/929164993.db2.gz HHLVZCOLZYGUEG-SNVBAGLBSA-N 1 1 310.358 -1.996 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001445139531 929166292 /nfs/dbraw/zinc/16/62/92/929166292.db2.gz UPUFYDFJFDTHKT-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cnnn1)c1ncccn1 ZINC001445141342 929166844 /nfs/dbraw/zinc/16/68/44/929166844.db2.gz ZTROEPNQGCRZSE-ZJUUUORDSA-N 1 1 306.330 -1.709 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@](C)(O)C2CC2)nn1 ZINC001445151611 929169803 /nfs/dbraw/zinc/16/98/03/929169803.db2.gz IROCZXDHVVSCFS-GXTWGEPZSA-N 1 1 311.386 -1.067 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cncnc1 ZINC001445151802 929170805 /nfs/dbraw/zinc/17/08/05/929170805.db2.gz PNNLIMUVIQVOBZ-NSHDSACASA-N 1 1 318.341 -1.322 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001445153054 929170969 /nfs/dbraw/zinc/17/09/69/929170969.db2.gz KFXFMNCDJJOTLJ-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CC1OCCCO1 ZINC001445152306 929171019 /nfs/dbraw/zinc/17/10/19/929171019.db2.gz QQIPVZSWMLGHAI-VIFPVBQESA-N 1 1 314.346 -2.070 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)c2C)nn1 ZINC001445153870 929171815 /nfs/dbraw/zinc/17/18/15/929171815.db2.gz HUPBQHFGQSCADK-LLVKDONJSA-N 1 1 322.373 -1.385 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cscn1)[C@H]1COC(=O)N1 ZINC001445152922 929172357 /nfs/dbraw/zinc/17/23/57/929172357.db2.gz JUMXCGVDIFJJHL-RKDXNWHRSA-N 1 1 300.340 -1.182 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001445157918 929172400 /nfs/dbraw/zinc/17/24/00/929172400.db2.gz MIZGCYWXRKMGLJ-GHMZBOCLSA-N 1 1 313.358 -1.720 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)n1 ZINC001445164056 929173752 /nfs/dbraw/zinc/17/37/52/929173752.db2.gz SGSHIIOEAOKFLV-LLVKDONJSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001445161065 929174427 /nfs/dbraw/zinc/17/44/27/929174427.db2.gz TYMXLZUAMNCCQR-MNOVXSKESA-N 1 1 312.374 -1.407 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001445161071 929174717 /nfs/dbraw/zinc/17/47/17/929174717.db2.gz TYMXLZUAMNCCQR-WDEREUQCSA-N 1 1 312.374 -1.407 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnn(C)n2)CC[N@H+]1C ZINC001445175103 929175843 /nfs/dbraw/zinc/17/58/43/929175843.db2.gz FHZVCRUQRFMCIW-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)o1 ZINC001445175739 929175942 /nfs/dbraw/zinc/17/59/42/929175942.db2.gz BOZPPCNENWZWPK-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCCNC2=O)n[nH]1 ZINC001445176025 929176509 /nfs/dbraw/zinc/17/65/09/929176509.db2.gz GIKJWWKOKXELOB-NXEZZACHSA-N 1 1 310.358 -1.999 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445179083 929176742 /nfs/dbraw/zinc/17/67/42/929176742.db2.gz JMGVXOXUTQGOHX-KBPBESRZSA-N 1 1 322.413 -1.276 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001445183675 929177700 /nfs/dbraw/zinc/17/77/00/929177700.db2.gz IYBXLVSNZDBKMN-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)nn1 ZINC001445182297 929178378 /nfs/dbraw/zinc/17/83/78/929178378.db2.gz HQCLICGSXDEOHR-VIFPVBQESA-N 1 1 320.357 -1.309 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)ncn1 ZINC001445191582 929179751 /nfs/dbraw/zinc/17/97/51/929179751.db2.gz XTSMXNJDBNNQFJ-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnnn1CC ZINC001445191777 929179991 /nfs/dbraw/zinc/17/99/91/929179991.db2.gz OXJDKNRJQNULEI-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001445187409 929180301 /nfs/dbraw/zinc/18/03/01/929180301.db2.gz BZDPTWFBEQXJDW-RYUDHWBXSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001445192463 929180398 /nfs/dbraw/zinc/18/03/98/929180398.db2.gz MUEIAHMMVDKRJI-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cnn1C ZINC001445198481 929182573 /nfs/dbraw/zinc/18/25/73/929182573.db2.gz KYPAFXMBKVPMEI-LBPRGKRZSA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001445194424 929183394 /nfs/dbraw/zinc/18/33/94/929183394.db2.gz ZWXDEKPOFVTPBB-JTQLQIEISA-N 1 1 317.371 -2.574 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC001445200708 929184328 /nfs/dbraw/zinc/18/43/28/929184328.db2.gz VZVLZLPQKNIGEC-VIFPVBQESA-N 1 1 320.357 -1.309 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001445204405 929184723 /nfs/dbraw/zinc/18/47/23/929184723.db2.gz OODBCORPTHHUHB-SECBINFHSA-N 1 1 316.337 -1.705 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001445206578 929185622 /nfs/dbraw/zinc/18/56/22/929185622.db2.gz LMANLSZLDYUDOR-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001445209959 929187230 /nfs/dbraw/zinc/18/72/30/929187230.db2.gz SJDUNZNSHNEVES-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)nc1 ZINC001445207561 929187823 /nfs/dbraw/zinc/18/78/23/929187823.db2.gz IJBXXWRJPRMQTD-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)nn1 ZINC001445217669 929189219 /nfs/dbraw/zinc/18/92/19/929189219.db2.gz WOHOELKFORZFMK-JTQLQIEISA-N 1 1 319.387 -2.184 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001445219362 929191804 /nfs/dbraw/zinc/19/18/04/929191804.db2.gz YQENJQIWYHOENR-GYSYKLTISA-N 1 1 324.385 -1.264 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)NC1=O ZINC001445219148 929191908 /nfs/dbraw/zinc/19/19/08/929191908.db2.gz GRXFTYBDHUECDL-RKDXNWHRSA-N 1 1 311.346 -2.595 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001445227638 929194322 /nfs/dbraw/zinc/19/43/22/929194322.db2.gz WBUHCTFENURIHQ-DTWKUNHWSA-N 1 1 302.331 -2.187 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)O1 ZINC001445235967 929197018 /nfs/dbraw/zinc/19/70/18/929197018.db2.gz MUVNEANYPLSFHH-OUAUKWLOSA-N 1 1 323.353 -1.924 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)[nH]1 ZINC001445244529 929197827 /nfs/dbraw/zinc/19/78/27/929197827.db2.gz DVFXYQHIPPAVNC-UWVGGRQHSA-N 1 1 310.358 -1.651 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1 ZINC001445247927 929198719 /nfs/dbraw/zinc/19/87/19/929198719.db2.gz PGUGBPCBAUVEKR-MXWKQRLJSA-N 1 1 307.354 -1.527 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)c[nH]1 ZINC001445242779 929199258 /nfs/dbraw/zinc/19/92/58/929199258.db2.gz BTAVIXAJTXKOSH-JTQLQIEISA-N 1 1 320.353 -1.308 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001445253518 929200461 /nfs/dbraw/zinc/20/04/61/929200461.db2.gz WNMBBMMAXOYHND-GHMZBOCLSA-N 1 1 312.374 -1.405 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)c2cnon2)n1 ZINC001445251363 929201033 /nfs/dbraw/zinc/20/10/33/929201033.db2.gz KDSPFVGZBLRRJD-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)N1CCCCC1 ZINC001445253133 929202236 /nfs/dbraw/zinc/20/22/36/929202236.db2.gz NDSZUOXWDZUCSU-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)N1CCCCC1 ZINC001445253133 929202244 /nfs/dbraw/zinc/20/22/44/929202244.db2.gz NDSZUOXWDZUCSU-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)n1ccnc1 ZINC001445258249 929202861 /nfs/dbraw/zinc/20/28/61/929202861.db2.gz QNKZULOHPLBBHT-MNOVXSKESA-N 1 1 322.373 -1.375 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)CN2CCCC2)C1=O ZINC001445260699 929203022 /nfs/dbraw/zinc/20/30/22/929203022.db2.gz AAEBIPHQQWJYPR-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c(C)n1 ZINC001445258645 929203627 /nfs/dbraw/zinc/20/36/27/929203627.db2.gz SCRSXGJEHHSPNY-JTQLQIEISA-N 1 1 320.357 -1.503 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001445260733 929203972 /nfs/dbraw/zinc/20/39/72/929203972.db2.gz ABTXIBFDRSOJJC-NSHDSACASA-N 1 1 321.385 -1.036 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001445264721 929204346 /nfs/dbraw/zinc/20/43/46/929204346.db2.gz SZKNALYYMYSMGN-MNOVXSKESA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001445264727 929204582 /nfs/dbraw/zinc/20/45/82/929204582.db2.gz SZKNALYYMYSMGN-QWRGUYRKSA-N 1 1 310.358 -1.857 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001445259591 929205020 /nfs/dbraw/zinc/20/50/20/929205020.db2.gz UXLWCTMFSXWIKQ-NXEZZACHSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001445268714 929206128 /nfs/dbraw/zinc/20/61/28/929206128.db2.gz KDZFIGKDWQRVND-NXEZZACHSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268714 929206136 /nfs/dbraw/zinc/20/61/36/929206136.db2.gz KDZFIGKDWQRVND-NXEZZACHSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001445267094 929207015 /nfs/dbraw/zinc/20/70/15/929207015.db2.gz LKMUAXFDCCZPGN-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)nn1C ZINC001445275933 929210233 /nfs/dbraw/zinc/21/02/33/929210233.db2.gz CZCIBBAKOHBNMH-JTQLQIEISA-N 1 1 322.373 -1.614 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001445279580 929211176 /nfs/dbraw/zinc/21/11/76/929211176.db2.gz MPCWHYZMWKAFNI-MRVPVSSYSA-N 1 1 308.346 -1.624 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@H]1CCS(=O)(=O)N1 ZINC001445282438 929212366 /nfs/dbraw/zinc/21/23/66/929212366.db2.gz ZPGRFZMRINIUMO-VHSXEESVSA-N 1 1 318.355 -2.067 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1 ZINC001445279590 929213337 /nfs/dbraw/zinc/21/33/37/929213337.db2.gz ZMJHGFUOUUUFHC-LBPRGKRZSA-N 1 1 300.403 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001445279578 929213714 /nfs/dbraw/zinc/21/37/14/929213714.db2.gz RJSVSMHOQYHAJF-VHSXEESVSA-N 1 1 312.374 -1.581 20 0 DAADMO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001445283605 929216355 /nfs/dbraw/zinc/21/63/55/929216355.db2.gz ZLNOLNBLFXTVEK-SNVBAGLBSA-N 1 1 321.341 -1.587 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001445387556 929216892 /nfs/dbraw/zinc/21/68/92/929216892.db2.gz FCIONYQWEVMMMU-SECBINFHSA-N 1 1 311.342 -1.169 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CN1CCCS1(=O)=O ZINC001445379451 929217886 /nfs/dbraw/zinc/21/78/86/929217886.db2.gz KQFUMAJHOKDNLE-SECBINFHSA-N 1 1 317.371 -1.301 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001445421468 929220329 /nfs/dbraw/zinc/22/03/29/929220329.db2.gz RUZFCGBLUQJSNV-SECBINFHSA-N 1 1 322.373 -1.307 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn2c(n1)COCC2 ZINC001445399925 929220420 /nfs/dbraw/zinc/22/04/20/929220420.db2.gz XXKREBFPZKNPCZ-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445435100 929220716 /nfs/dbraw/zinc/22/07/16/929220716.db2.gz GSDKVTWLLXGTKZ-SKDRFNHKSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001445398372 929221708 /nfs/dbraw/zinc/22/17/08/929221708.db2.gz VNHHNQIKLKDZIG-NOZJJQNGSA-N 1 1 309.374 -1.279 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001445480618 929223670 /nfs/dbraw/zinc/22/36/70/929223670.db2.gz NBOYJRGDINBKKF-RKDXNWHRSA-N 1 1 312.378 -1.359 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001445496072 929226734 /nfs/dbraw/zinc/22/67/34/929226734.db2.gz JTKSIKPHYHRBCP-SFYZADRCSA-N 1 1 319.391 -2.085 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001445502877 929228936 /nfs/dbraw/zinc/22/89/36/929228936.db2.gz UVFCSIXRIXJZPK-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001445509207 929230435 /nfs/dbraw/zinc/23/04/35/929230435.db2.gz WMWSIYGFSRFIAH-VXGBXAGGSA-N 1 1 314.386 -1.849 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](C)NC(=O)Cn2cnnn2)n1 ZINC001445515974 929231248 /nfs/dbraw/zinc/23/12/48/929231248.db2.gz YTUSWOUBNRPJHQ-VIFPVBQESA-N 1 1 307.362 -1.113 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O)[NH+](C)C ZINC001445513605 929232100 /nfs/dbraw/zinc/23/21/00/929232100.db2.gz CTKUXXIOZXKHSU-GMTAPVOTSA-N 1 1 324.385 -1.245 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001445545842 929236128 /nfs/dbraw/zinc/23/61/28/929236128.db2.gz QLNNFKJJDHNOGN-IUCAKERBSA-N 1 1 309.374 -1.156 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCn1cnccc1=O ZINC001445630423 929242040 /nfs/dbraw/zinc/24/20/40/929242040.db2.gz QIYNEIJUEUUECP-JTQLQIEISA-N 1 1 320.357 -1.549 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001445631655 929242139 /nfs/dbraw/zinc/24/21/39/929242139.db2.gz WCNUDAXYJLIKFB-UTUOFQBUSA-N 1 1 312.370 -2.238 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CS(=O)(=O)N(C)C ZINC001445647934 929245505 /nfs/dbraw/zinc/24/55/05/929245505.db2.gz JBLYYAMDWWWYQS-QMMMGPOBSA-N 1 1 305.360 -1.445 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001445716947 929252383 /nfs/dbraw/zinc/25/23/83/929252383.db2.gz JZHKAPAZBROOLS-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001445716947 929252391 /nfs/dbraw/zinc/25/23/91/929252391.db2.gz JZHKAPAZBROOLS-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716134 929252683 /nfs/dbraw/zinc/25/26/83/929252683.db2.gz HCKCIHOUZRYQKG-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716134 929252691 /nfs/dbraw/zinc/25/26/91/929252691.db2.gz HCKCIHOUZRYQKG-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001445748047 929253893 /nfs/dbraw/zinc/25/38/93/929253893.db2.gz PGZRTTPUOCHZHD-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001445748047 929253901 /nfs/dbraw/zinc/25/39/01/929253901.db2.gz PGZRTTPUOCHZHD-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001445731693 929253927 /nfs/dbraw/zinc/25/39/27/929253927.db2.gz LEZGHDFTSOTDBC-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccncc1 ZINC001445726140 929255580 /nfs/dbraw/zinc/25/55/80/929255580.db2.gz YXINVAOATDBHFH-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)c1ccncc1 ZINC001445726140 929255600 /nfs/dbraw/zinc/25/56/00/929255600.db2.gz YXINVAOATDBHFH-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001445717266 929255638 /nfs/dbraw/zinc/25/56/38/929255638.db2.gz JZHKAPAZBROOLS-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001445717266 929255650 /nfs/dbraw/zinc/25/56/50/929255650.db2.gz JZHKAPAZBROOLS-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001445722595 929255838 /nfs/dbraw/zinc/25/58/38/929255838.db2.gz XUXQERYYUDILSP-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001445722595 929255847 /nfs/dbraw/zinc/25/58/47/929255847.db2.gz XUXQERYYUDILSP-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001445754453 929257082 /nfs/dbraw/zinc/25/70/82/929257082.db2.gz QEWKTNKBPRFSBE-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001445789758 929257185 /nfs/dbraw/zinc/25/71/85/929257185.db2.gz PKPNLRGUDYMLHD-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001445789758 929257194 /nfs/dbraw/zinc/25/71/94/929257194.db2.gz PKPNLRGUDYMLHD-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001445785295 929258136 /nfs/dbraw/zinc/25/81/36/929258136.db2.gz ZHJYGWITIGGNKI-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COc1nc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001445769114 929258689 /nfs/dbraw/zinc/25/86/89/929258689.db2.gz IUOISXDTSURWEE-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001445769114 929258697 /nfs/dbraw/zinc/25/86/97/929258697.db2.gz IUOISXDTSURWEE-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828392 929259243 /nfs/dbraw/zinc/25/92/43/929259243.db2.gz LIZJXVDOLNYUKG-NXEZZACHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828392 929259256 /nfs/dbraw/zinc/25/92/56/929259256.db2.gz LIZJXVDOLNYUKG-NXEZZACHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445825259 929259823 /nfs/dbraw/zinc/25/98/23/929259823.db2.gz ZLPBZYJVDCTEBP-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445825259 929259832 /nfs/dbraw/zinc/25/98/32/929259832.db2.gz ZLPBZYJVDCTEBP-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001445823282 929260323 /nfs/dbraw/zinc/26/03/23/929260323.db2.gz SGQRUSJFZRTGAK-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001445823282 929260335 /nfs/dbraw/zinc/26/03/35/929260335.db2.gz SGQRUSJFZRTGAK-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001445828492 929260753 /nfs/dbraw/zinc/26/07/53/929260753.db2.gz LIZJXVDOLNYUKG-VHSXEESVSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001445828492 929260760 /nfs/dbraw/zinc/26/07/60/929260760.db2.gz LIZJXVDOLNYUKG-VHSXEESVSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001445868965 929262329 /nfs/dbraw/zinc/26/23/29/929262329.db2.gz IIMNXIQYWWBXOW-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001445868965 929262341 /nfs/dbraw/zinc/26/23/41/929262341.db2.gz IIMNXIQYWWBXOW-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001445925512 929265737 /nfs/dbraw/zinc/26/57/37/929265737.db2.gz CTVOZRGYEOXLFH-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001445997870 929268605 /nfs/dbraw/zinc/26/86/05/929268605.db2.gz JHXABWLFXMBDDH-MNOVXSKESA-N 1 1 317.357 -1.357 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)c1=O ZINC001446050748 929270171 /nfs/dbraw/zinc/27/01/71/929270171.db2.gz KWRFESDIEWTFGM-NSHDSACASA-N 1 1 320.357 -1.936 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)c1=O ZINC001446050748 929270184 /nfs/dbraw/zinc/27/01/84/929270184.db2.gz KWRFESDIEWTFGM-NSHDSACASA-N 1 1 320.357 -1.936 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)OC ZINC001446079069 929272005 /nfs/dbraw/zinc/27/20/05/929272005.db2.gz WVUUYYYNXKTUFZ-ZJUUUORDSA-N 1 1 308.404 -1.734 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001446064684 929272150 /nfs/dbraw/zinc/27/21/50/929272150.db2.gz YTBIEANWDQKQIV-ZDUSSCGKSA-N 1 1 321.381 -1.068 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001446064684 929272163 /nfs/dbraw/zinc/27/21/63/929272163.db2.gz YTBIEANWDQKQIV-ZDUSSCGKSA-N 1 1 321.381 -1.068 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092065 929273716 /nfs/dbraw/zinc/27/37/16/929273716.db2.gz JQRWGZSRAYJJIX-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092065 929273728 /nfs/dbraw/zinc/27/37/28/929273728.db2.gz JQRWGZSRAYJJIX-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001446137383 929276492 /nfs/dbraw/zinc/27/64/92/929276492.db2.gz IRUQFHXETNJXRJ-QMMMGPOBSA-N 1 1 310.358 -1.629 20 0 DAADMO Cn1[nH]c(CNC2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1=O ZINC001446152865 929276918 /nfs/dbraw/zinc/27/69/18/929276918.db2.gz DIRBAVQNJJRRHI-JTQLQIEISA-N 1 1 308.386 -1.059 20 0 DAADMO Cc1c(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)nnn1C ZINC001446149742 929277215 /nfs/dbraw/zinc/27/72/15/929277215.db2.gz MKRGXAKZBHXRNU-UHFFFAOYSA-N 1 1 320.357 -1.402 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001446215129 929280525 /nfs/dbraw/zinc/28/05/25/929280525.db2.gz IGFDDDVOXWLZPI-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001446215129 929280535 /nfs/dbraw/zinc/28/05/35/929280535.db2.gz IGFDDDVOXWLZPI-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001446215118 929280837 /nfs/dbraw/zinc/28/08/37/929280837.db2.gz IGFDDDVOXWLZPI-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001446215118 929280849 /nfs/dbraw/zinc/28/08/49/929280849.db2.gz IGFDDDVOXWLZPI-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001446364378 929287425 /nfs/dbraw/zinc/28/74/25/929287425.db2.gz XENWSFPFYLTOND-MWLCHTKSSA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001446415931 929289647 /nfs/dbraw/zinc/28/96/47/929289647.db2.gz PPEXOWMPFHQUES-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO CN(C(=O)CC[NH+]1CCOCC1)C1CN([C@H]2CCNC2=O)C1 ZINC001446396052 929290002 /nfs/dbraw/zinc/29/00/02/929290002.db2.gz WYTZJSPVRJKLNW-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001446381187 929290249 /nfs/dbraw/zinc/29/02/49/929290249.db2.gz ROPBBTBFYQTNIK-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001446478921 929293659 /nfs/dbraw/zinc/29/36/59/929293659.db2.gz QTLBMIFUVJXIBN-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001446512865 929295315 /nfs/dbraw/zinc/29/53/15/929295315.db2.gz LCLLFEBAIPWWRR-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001446512865 929295330 /nfs/dbraw/zinc/29/53/30/929295330.db2.gz LCLLFEBAIPWWRR-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001446505214 929296099 /nfs/dbraw/zinc/29/60/99/929296099.db2.gz WRCNNTMRIFZHFH-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001446505214 929296108 /nfs/dbraw/zinc/29/61/08/929296108.db2.gz WRCNNTMRIFZHFH-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446542465 929297600 /nfs/dbraw/zinc/29/76/00/929297600.db2.gz UVXSZOIZBJLMPZ-HZMBPMFUSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446542465 929297607 /nfs/dbraw/zinc/29/76/07/929297607.db2.gz UVXSZOIZBJLMPZ-HZMBPMFUSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446542597 929299033 /nfs/dbraw/zinc/29/90/33/929299033.db2.gz MODPUQXTIYBCAH-XHDPSFHLSA-N 1 1 323.397 -1.225 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001446541278 929299195 /nfs/dbraw/zinc/29/91/95/929299195.db2.gz YBHVKRCSZAVKMD-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001446541278 929299206 /nfs/dbraw/zinc/29/92/06/929299206.db2.gz YBHVKRCSZAVKMD-CYBMUJFWSA-N 1 1 309.374 -1.268 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001446543714 929299231 /nfs/dbraw/zinc/29/92/31/929299231.db2.gz WKISFEMHVVWELY-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001446584342 929300826 /nfs/dbraw/zinc/30/08/26/929300826.db2.gz SLKUKILTPYLEFA-FZMZJTMJSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001446602661 929301323 /nfs/dbraw/zinc/30/13/23/929301323.db2.gz PNDYLKZQAPXZQI-ZDUSSCGKSA-N 1 1 319.373 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001446584345 929301715 /nfs/dbraw/zinc/30/17/15/929301715.db2.gz SLKUKILTPYLEFA-RISCZKNCSA-N 1 1 324.385 -1.046 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001446719665 929304599 /nfs/dbraw/zinc/30/45/99/929304599.db2.gz GSLOATZLTBVAMZ-NSHDSACASA-N 1 1 308.285 -1.740 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001446719665 929304607 /nfs/dbraw/zinc/30/46/07/929304607.db2.gz GSLOATZLTBVAMZ-NSHDSACASA-N 1 1 308.285 -1.740 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]c1 ZINC001446739052 929304815 /nfs/dbraw/zinc/30/48/15/929304815.db2.gz SORLEMPDQINODB-AWEZNQCLSA-N 1 1 322.369 -1.399 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001446741750 929307536 /nfs/dbraw/zinc/30/75/36/929307536.db2.gz SNZQSYSVTIFWNJ-ABAIWWIYSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001446741750 929307550 /nfs/dbraw/zinc/30/75/50/929307550.db2.gz SNZQSYSVTIFWNJ-ABAIWWIYSA-N 1 1 323.397 -1.002 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446747589 929308222 /nfs/dbraw/zinc/30/82/22/929308222.db2.gz CSBUWSHZFAUIKB-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446747589 929308232 /nfs/dbraw/zinc/30/82/32/929308232.db2.gz CSBUWSHZFAUIKB-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cn1ncc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001446746377 929308324 /nfs/dbraw/zinc/30/83/24/929308324.db2.gz OYISQOPRBXRTAF-DZGCQCFKSA-N 1 1 322.413 -1.038 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446742706 929308359 /nfs/dbraw/zinc/30/83/59/929308359.db2.gz ZNHKETLJXZUWSM-CWSCBRNRSA-N 1 1 318.374 -2.397 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446743499 929308378 /nfs/dbraw/zinc/30/83/78/929308378.db2.gz VIRSBXWTILFKIE-HNNXBMFYSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446743499 929308387 /nfs/dbraw/zinc/30/83/87/929308387.db2.gz VIRSBXWTILFKIE-HNNXBMFYSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cocn1 ZINC001446749936 929308709 /nfs/dbraw/zinc/30/87/09/929308709.db2.gz NPBTVUWURYGDLT-CQSZACIVSA-N 1 1 323.353 -1.134 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001446752575 929308979 /nfs/dbraw/zinc/30/89/79/929308979.db2.gz BIGMMNDWWXFFOX-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001446752575 929308995 /nfs/dbraw/zinc/30/89/95/929308995.db2.gz BIGMMNDWWXFFOX-CQSZACIVSA-N 1 1 308.338 -1.963 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001446750991 929309128 /nfs/dbraw/zinc/30/91/28/929309128.db2.gz KNUNNGSFETWWFQ-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001446748026 929309582 /nfs/dbraw/zinc/30/95/82/929309582.db2.gz RZDQROZHOOLSKE-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001446748026 929309594 /nfs/dbraw/zinc/30/95/94/929309594.db2.gz RZDQROZHOOLSKE-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746743 929310055 /nfs/dbraw/zinc/31/00/55/929310055.db2.gz SVFHJNXNEPXQKZ-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746743 929310068 /nfs/dbraw/zinc/31/00/68/929310068.db2.gz SVFHJNXNEPXQKZ-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001446746908 929310589 /nfs/dbraw/zinc/31/05/89/929310589.db2.gz AHELHULORKHPCF-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001446740581 929310903 /nfs/dbraw/zinc/31/09/03/929310903.db2.gz UGLOOKGYELVOQD-HIFRSBDPSA-N 1 1 314.382 -1.107 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446761297 929311405 /nfs/dbraw/zinc/31/14/05/929311405.db2.gz HFIAVQFZEILXJY-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446761297 929311413 /nfs/dbraw/zinc/31/14/13/929311413.db2.gz HFIAVQFZEILXJY-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760225 929311481 /nfs/dbraw/zinc/31/14/81/929311481.db2.gz NQEMEFYZJPRBCJ-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760225 929311494 /nfs/dbraw/zinc/31/14/94/929311494.db2.gz NQEMEFYZJPRBCJ-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001446755428 929312603 /nfs/dbraw/zinc/31/26/03/929312603.db2.gz AGJQXDOSLANOQC-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001446755428 929312620 /nfs/dbraw/zinc/31/26/20/929312620.db2.gz AGJQXDOSLANOQC-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001446756970 929312824 /nfs/dbraw/zinc/31/28/24/929312824.db2.gz FVSCUSUFARLUQM-QMTHXVAHSA-N 1 1 324.385 -1.446 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446759504 929313035 /nfs/dbraw/zinc/31/30/35/929313035.db2.gz DTGDJHAKVQMKFD-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446759504 929313040 /nfs/dbraw/zinc/31/30/40/929313040.db2.gz DTGDJHAKVQMKFD-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(C)nn1 ZINC001446756161 929313094 /nfs/dbraw/zinc/31/30/94/929313094.db2.gz UBCXWMYBAKKBDM-AWEZNQCLSA-N 1 1 307.354 -1.255 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(C)nn1 ZINC001446756161 929313106 /nfs/dbraw/zinc/31/31/06/929313106.db2.gz UBCXWMYBAKKBDM-AWEZNQCLSA-N 1 1 307.354 -1.255 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446755504 929313222 /nfs/dbraw/zinc/31/32/22/929313222.db2.gz BHKOFLRLJFMPET-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446755504 929313232 /nfs/dbraw/zinc/31/32/32/929313232.db2.gz BHKOFLRLJFMPET-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446754291 929313442 /nfs/dbraw/zinc/31/34/42/929313442.db2.gz JAYZQKRDQJORLK-OAHLLOKOSA-N 1 1 323.397 -1.186 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446754291 929313453 /nfs/dbraw/zinc/31/34/53/929313453.db2.gz JAYZQKRDQJORLK-OAHLLOKOSA-N 1 1 323.397 -1.186 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760208 929313505 /nfs/dbraw/zinc/31/35/05/929313505.db2.gz NQEMEFYZJPRBCJ-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760208 929313513 /nfs/dbraw/zinc/31/35/13/929313513.db2.gz NQEMEFYZJPRBCJ-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446762628 929314967 /nfs/dbraw/zinc/31/49/67/929314967.db2.gz SJVUJZCTPZXKBW-YGRLFVJLSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446762628 929314976 /nfs/dbraw/zinc/31/49/76/929314976.db2.gz SJVUJZCTPZXKBW-YGRLFVJLSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446762551 929315357 /nfs/dbraw/zinc/31/53/57/929315357.db2.gz SJVUJZCTPZXKBW-HZMBPMFUSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446762551 929315368 /nfs/dbraw/zinc/31/53/68/929315368.db2.gz SJVUJZCTPZXKBW-HZMBPMFUSA-N 1 1 307.354 -1.525 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nccn2C)C1 ZINC001446761431 929315551 /nfs/dbraw/zinc/31/55/51/929315551.db2.gz TYDCDVIWEPSZDO-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nccn2C)C1 ZINC001446761431 929315565 /nfs/dbraw/zinc/31/55/65/929315565.db2.gz TYDCDVIWEPSZDO-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CC(C)[C@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001446764198 929315701 /nfs/dbraw/zinc/31/57/01/929315701.db2.gz FHHMFNXNTNZXKF-GWCFXTLKSA-N 1 1 318.349 -1.272 20 0 DAADMO CC(C)[C@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001446764198 929315712 /nfs/dbraw/zinc/31/57/12/929315712.db2.gz FHHMFNXNTNZXKF-GWCFXTLKSA-N 1 1 318.349 -1.272 20 0 DAADMO C[N@@H+](CC(=O)NC[C@]1(O)CCN([C@H]2CCNC2=O)C1)C1CCC1 ZINC001446769183 929315911 /nfs/dbraw/zinc/31/59/11/929315911.db2.gz ZUNBBPIFYBCXFA-XJKSGUPXSA-N 1 1 324.425 -1.088 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446765602 929316007 /nfs/dbraw/zinc/31/60/07/929316007.db2.gz HLGGOXASNCAXSJ-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001446765602 929316018 /nfs/dbraw/zinc/31/60/18/929316018.db2.gz HLGGOXASNCAXSJ-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446766022 929316657 /nfs/dbraw/zinc/31/66/57/929316657.db2.gz LLGSBGHCAGTKNT-HZMBPMFUSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001446766022 929316668 /nfs/dbraw/zinc/31/66/68/929316668.db2.gz LLGSBGHCAGTKNT-HZMBPMFUSA-N 1 1 313.354 -1.761 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001446769184 929317231 /nfs/dbraw/zinc/31/72/31/929317231.db2.gz ZUTSCELFNJIGPL-BMIGLBTASA-N 1 1 323.397 -1.059 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001446769184 929317246 /nfs/dbraw/zinc/31/72/46/929317246.db2.gz ZUTSCELFNJIGPL-BMIGLBTASA-N 1 1 323.397 -1.059 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(O)CCN([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001446769181 929317432 /nfs/dbraw/zinc/31/74/32/929317432.db2.gz ZUNBBPIFYBCXFA-CJNGLKHVSA-N 1 1 324.425 -1.088 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001446769187 929317560 /nfs/dbraw/zinc/31/75/60/929317560.db2.gz ZUTSCELFNJIGPL-MEBBXXQBSA-N 1 1 323.397 -1.059 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001446769187 929317568 /nfs/dbraw/zinc/31/75/68/929317568.db2.gz ZUTSCELFNJIGPL-MEBBXXQBSA-N 1 1 323.397 -1.059 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761797 929317827 /nfs/dbraw/zinc/31/78/27/929317827.db2.gz CRUBNTANALJRMS-XPTSAGLGSA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001446761797 929317841 /nfs/dbraw/zinc/31/78/41/929317841.db2.gz CRUBNTANALJRMS-XPTSAGLGSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ncccc2F)C1 ZINC001446769636 929318082 /nfs/dbraw/zinc/31/80/82/929318082.db2.gz FAOJIJPDTQCEBR-AWEZNQCLSA-N 1 1 310.329 -1.199 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ncccc2F)C1 ZINC001446769636 929318095 /nfs/dbraw/zinc/31/80/95/929318095.db2.gz FAOJIJPDTQCEBR-AWEZNQCLSA-N 1 1 310.329 -1.199 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001446780152 929318769 /nfs/dbraw/zinc/31/87/69/929318769.db2.gz XRWZNQADMJPXCE-FZMZJTMJSA-N 1 1 314.386 -1.354 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001446776916 929319650 /nfs/dbraw/zinc/31/96/50/929319650.db2.gz VRIMOZBGQUUVIF-NOZJJQNGSA-N 1 1 318.349 -1.128 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001446776916 929319664 /nfs/dbraw/zinc/31/96/64/929319664.db2.gz VRIMOZBGQUUVIF-NOZJJQNGSA-N 1 1 318.349 -1.128 20 0 DAADMO O=C(CCn1ccnc1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446781772 929320296 /nfs/dbraw/zinc/32/02/96/929320296.db2.gz YUXHBCKNHZHYTP-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446781772 929320303 /nfs/dbraw/zinc/32/03/03/929320303.db2.gz YUXHBCKNHZHYTP-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446774824 929321433 /nfs/dbraw/zinc/32/14/33/929321433.db2.gz KKYYKDWGKIHTOG-HZMBPMFUSA-N 1 1 314.386 -1.813 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446774824 929321443 /nfs/dbraw/zinc/32/14/43/929321443.db2.gz KKYYKDWGKIHTOG-HZMBPMFUSA-N 1 1 314.386 -1.813 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446797345 929322119 /nfs/dbraw/zinc/32/21/19/929322119.db2.gz FKICICGHEAGDGD-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446797345 929322129 /nfs/dbraw/zinc/32/21/29/929322129.db2.gz FKICICGHEAGDGD-CQSZACIVSA-N 1 1 319.369 -1.166 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001446783701 929322614 /nfs/dbraw/zinc/32/26/14/929322614.db2.gz GSGYLDWYUSXOHN-LBPRGKRZSA-N 1 1 322.431 -1.655 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cccnn3)C2)C1=O ZINC001446793907 929322508 /nfs/dbraw/zinc/32/25/08/929322508.db2.gz ACRXVGLFAAOGDP-SWLSCSKDSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786543 929322732 /nfs/dbraw/zinc/32/27/32/929322732.db2.gz VWKSYRFTHBTULO-DGCLKSJQSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCS(C)(=O)=O)C1 ZINC001446786543 929322736 /nfs/dbraw/zinc/32/27/36/929322736.db2.gz VWKSYRFTHBTULO-DGCLKSJQSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791052 929323939 /nfs/dbraw/zinc/32/39/39/929323939.db2.gz RPVYZEQCEVPLEN-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791052 929323950 /nfs/dbraw/zinc/32/39/50/929323950.db2.gz RPVYZEQCEVPLEN-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001446799001 929324117 /nfs/dbraw/zinc/32/41/17/929324117.db2.gz FYDGZLBCKZAMEW-YMTOWFKASA-N 1 1 310.354 -1.339 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cccnn3)C2)C1=O ZINC001446793903 929324875 /nfs/dbraw/zinc/32/48/75/929324875.db2.gz ACRXVGLFAAOGDP-DOMZBBRYSA-N 1 1 319.365 -1.126 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001446806285 929325752 /nfs/dbraw/zinc/32/57/52/929325752.db2.gz PJXPIVDTHZPZOJ-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001446806285 929325760 /nfs/dbraw/zinc/32/57/60/929325760.db2.gz PJXPIVDTHZPZOJ-DOMZBBRYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446811613 929325826 /nfs/dbraw/zinc/32/58/26/929325826.db2.gz ZIVUKXVMIMRTGD-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446811613 929325843 /nfs/dbraw/zinc/32/58/43/929325843.db2.gz ZIVUKXVMIMRTGD-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001446812814 929326377 /nfs/dbraw/zinc/32/63/77/929326377.db2.gz HSZAHGZWOPETKI-OCCSQVGLSA-N 1 1 312.370 -1.557 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446803513 929326864 /nfs/dbraw/zinc/32/68/64/929326864.db2.gz GKZDPUUOZOBUBF-LBPRGKRZSA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446803513 929326874 /nfs/dbraw/zinc/32/68/74/929326874.db2.gz GKZDPUUOZOBUBF-LBPRGKRZSA-N 1 1 301.347 -2.656 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001446807524 929327385 /nfs/dbraw/zinc/32/73/85/929327385.db2.gz MKHBGUZZTXZEER-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001446807524 929327393 /nfs/dbraw/zinc/32/73/93/929327393.db2.gz MKHBGUZZTXZEER-YGRLFVJLSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446812624 929327425 /nfs/dbraw/zinc/32/74/25/929327425.db2.gz ZQRBXQRZNDHBAK-CQSZACIVSA-N 1 1 309.370 -1.393 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446812624 929327434 /nfs/dbraw/zinc/32/74/34/929327434.db2.gz ZQRBXQRZNDHBAK-CQSZACIVSA-N 1 1 309.370 -1.393 20 0 DAADMO COCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001446803800 929327926 /nfs/dbraw/zinc/32/79/26/929327926.db2.gz IFXHYIFTWHQUIR-AWEZNQCLSA-N 1 1 312.370 -1.312 20 0 DAADMO Cc1conc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001446826791 929328488 /nfs/dbraw/zinc/32/84/88/929328488.db2.gz FSKDAHOTDFWKRV-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1conc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001446826791 929328498 /nfs/dbraw/zinc/32/84/98/929328498.db2.gz FSKDAHOTDFWKRV-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001446820105 929329423 /nfs/dbraw/zinc/32/94/23/929329423.db2.gz SYZMBLXZJMYDIS-ABAIWWIYSA-N 1 1 311.382 -1.159 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001446820105 929329432 /nfs/dbraw/zinc/32/94/32/929329432.db2.gz SYZMBLXZJMYDIS-ABAIWWIYSA-N 1 1 311.382 -1.159 20 0 DAADMO Cc1conc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001446826788 929329897 /nfs/dbraw/zinc/32/98/97/929329897.db2.gz FSKDAHOTDFWKRV-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1conc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001446826788 929329908 /nfs/dbraw/zinc/32/99/08/929329908.db2.gz FSKDAHOTDFWKRV-CYBMUJFWSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC001446839142 929334107 /nfs/dbraw/zinc/33/41/07/929334107.db2.gz RWZSTFJCCJDFKZ-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC001446839142 929334116 /nfs/dbraw/zinc/33/41/16/929334116.db2.gz RWZSTFJCCJDFKZ-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001446837418 929334305 /nfs/dbraw/zinc/33/43/05/929334305.db2.gz YAJLTWWGIWYGFO-VXGBXAGGSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3cnn(C)n3)C2)CC[N@H+]1C ZINC001446837315 929334972 /nfs/dbraw/zinc/33/49/72/929334972.db2.gz XNYTUIIAMULMHI-DGCLKSJQSA-N 1 1 322.413 -1.182 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001446852512 929335923 /nfs/dbraw/zinc/33/59/23/929335923.db2.gz BLYZXHWREJAIOC-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001446857751 929341111 /nfs/dbraw/zinc/34/11/11/929341111.db2.gz QGPHKHYMXZPGGF-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@H]3CCCO3)C2)n1 ZINC001446873085 929345415 /nfs/dbraw/zinc/34/54/15/929345415.db2.gz PWWZHLVRRQYYFL-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO Cn1ncc(CCC(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)n1 ZINC001446892492 929347915 /nfs/dbraw/zinc/34/79/15/929347915.db2.gz XTRHXQNCBZLMHP-GFCCVEGCSA-N 1 1 323.397 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)n1 ZINC001446892495 929348582 /nfs/dbraw/zinc/34/85/82/929348582.db2.gz XTRHXQNCBZLMHP-LBPRGKRZSA-N 1 1 323.397 -1.053 20 0 DAADMO CN1CCC[C@@H](N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001446908386 929349925 /nfs/dbraw/zinc/34/99/25/929349925.db2.gz AFPXNULPDHHWBY-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CC(=O)N3CCC3)C2)C1 ZINC001446912523 929350261 /nfs/dbraw/zinc/35/02/61/929350261.db2.gz ODQLIUQZVULNPV-LBPRGKRZSA-N 1 1 310.398 -1.667 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CCN3CCCC3=O)C2)C1 ZINC001446911449 929350830 /nfs/dbraw/zinc/35/08/30/929350830.db2.gz LNEHMBNVUBLLHG-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C)C2 ZINC001446917018 929351913 /nfs/dbraw/zinc/35/19/13/929351913.db2.gz NVBJZXXOVXXVLE-SRVKXCTJSA-N 1 1 321.385 -1.185 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C)C2 ZINC001446917018 929351926 /nfs/dbraw/zinc/35/19/26/929351926.db2.gz NVBJZXXOVXXVLE-SRVKXCTJSA-N 1 1 321.385 -1.185 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001446982970 929356727 /nfs/dbraw/zinc/35/67/27/929356727.db2.gz XAHGRRJYGIFEOK-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001446973895 929357015 /nfs/dbraw/zinc/35/70/15/929357015.db2.gz LPCGTJGKSGUHON-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)COC)C[C@H]2C1 ZINC001446961981 929357268 /nfs/dbraw/zinc/35/72/68/929357268.db2.gz BEYOXPCDYXSLQE-MXWKQRLJSA-N 1 1 312.370 -1.133 20 0 DAADMO COCC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001446986519 929359249 /nfs/dbraw/zinc/35/92/49/929359249.db2.gz DYQRRJWEPXLKAP-PHIMTYICSA-N 1 1 312.370 -1.985 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001447009972 929360302 /nfs/dbraw/zinc/36/03/02/929360302.db2.gz ZNMMVFWZWPSVBP-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO COC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001447014675 929360624 /nfs/dbraw/zinc/36/06/24/929360624.db2.gz XBGIPOYIAKCGSA-MFKMUULPSA-N 1 1 303.359 -1.334 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001447012089 929361560 /nfs/dbraw/zinc/36/15/60/929361560.db2.gz OBFPWJIRDYUSTA-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001447013498 929361806 /nfs/dbraw/zinc/36/18/06/929361806.db2.gz TXUAHRQFPSQXIA-AWEZNQCLSA-N 1 1 301.387 -1.210 20 0 DAADMO COC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001447014679 929362711 /nfs/dbraw/zinc/36/27/11/929362711.db2.gz XBGIPOYIAKCGSA-ZWNOBZJWSA-N 1 1 303.359 -1.334 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001447032011 929362951 /nfs/dbraw/zinc/36/29/51/929362951.db2.gz AAQKZCQRVZTXSJ-XWLWVQCSSA-N 1 1 311.386 -1.160 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001447032011 929362959 /nfs/dbraw/zinc/36/29/59/929362959.db2.gz AAQKZCQRVZTXSJ-XWLWVQCSSA-N 1 1 311.386 -1.160 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001447011153 929362973 /nfs/dbraw/zinc/36/29/73/929362973.db2.gz MMSOWSHBPIBEHL-HNNXBMFYSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCNC(N)=O ZINC001447046796 929363946 /nfs/dbraw/zinc/36/39/46/929363946.db2.gz UZVZFSDHALMHFJ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001447063120 929366845 /nfs/dbraw/zinc/36/68/45/929366845.db2.gz XYXKIHBOPFNMNL-IJLUTSLNSA-N 1 1 321.381 -1.188 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2cnc[nH]2)C1=O ZINC001447062855 929368391 /nfs/dbraw/zinc/36/83/91/929368391.db2.gz WVZIASUKTSOIDR-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001447111580 929369303 /nfs/dbraw/zinc/36/93/03/929369303.db2.gz SBBMOQGSVYFMDH-RYUDHWBXSA-N 1 1 321.385 -1.222 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001447098858 929370496 /nfs/dbraw/zinc/37/04/96/929370496.db2.gz BURHWUPMUAIOLS-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCCOC1 ZINC001447098858 929370506 /nfs/dbraw/zinc/37/05/06/929370506.db2.gz BURHWUPMUAIOLS-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001447162079 929373082 /nfs/dbraw/zinc/37/30/82/929373082.db2.gz IXWRPJFUNYZESV-NWDGAFQWSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001447162079 929373090 /nfs/dbraw/zinc/37/30/90/929373090.db2.gz IXWRPJFUNYZESV-NWDGAFQWSA-N 1 1 314.386 -1.102 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)CC1=O ZINC001447146037 929373376 /nfs/dbraw/zinc/37/33/76/929373376.db2.gz VQSHKQJSTGWMOD-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)CC1=O ZINC001447146037 929373389 /nfs/dbraw/zinc/37/33/89/929373389.db2.gz VQSHKQJSTGWMOD-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)CN1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001447151599 929373934 /nfs/dbraw/zinc/37/39/34/929373934.db2.gz QROLOUTXHDMPHD-GFCCVEGCSA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CCC2)nn1 ZINC001447197478 929377067 /nfs/dbraw/zinc/37/70/67/929377067.db2.gz IYTMORMSLDQISP-UHFFFAOYSA-N 1 1 305.346 -1.370 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CCNC(N)=O)CCC1 ZINC001447261500 929379341 /nfs/dbraw/zinc/37/93/41/929379341.db2.gz QQKUAZLUFKFHAT-UHFFFAOYSA-N 1 1 310.362 -1.603 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCOC)CC1 ZINC001447301187 929383149 /nfs/dbraw/zinc/38/31/49/929383149.db2.gz DKDZNTVFKFULFM-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447310556 929383506 /nfs/dbraw/zinc/38/35/06/929383506.db2.gz SINYJPQUQZLDKT-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001447303279 929383979 /nfs/dbraw/zinc/38/39/79/929383979.db2.gz USRJBGNRIGAOMG-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001447303273 929384086 /nfs/dbraw/zinc/38/40/86/929384086.db2.gz USRJBGNRIGAOMG-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)nn1 ZINC001447308088 929384532 /nfs/dbraw/zinc/38/45/32/929384532.db2.gz QMITUKHKYBVURE-VIFPVBQESA-N 1 1 323.357 -1.406 20 0 DAADMO CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001447366185 929385936 /nfs/dbraw/zinc/38/59/36/929385936.db2.gz DHYJLSAIGUVALV-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001447335980 929386656 /nfs/dbraw/zinc/38/66/56/929386656.db2.gz SWFZCQFRFAASTG-LLVKDONJSA-N 1 1 302.375 -1.022 20 0 DAADMO CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001447342233 929387370 /nfs/dbraw/zinc/38/73/70/929387370.db2.gz IYWYUEZOVAIEKB-JTQLQIEISA-N 1 1 305.400 -1.300 20 0 DAADMO CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001447454714 929392426 /nfs/dbraw/zinc/39/24/26/929392426.db2.gz DZIQHDCYPUIWCY-CYBMUJFWSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)C1(C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)CCC1 ZINC001447450513 929392555 /nfs/dbraw/zinc/39/25/55/929392555.db2.gz PGVPIDRRMTVDOO-CQSZACIVSA-N 1 1 312.414 -1.101 20 0 DAADMO COC[C@H](O)C[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001447475143 929395733 /nfs/dbraw/zinc/39/57/33/929395733.db2.gz UACIBGJGDIRCLS-SNVBAGLBSA-N 1 1 313.358 -1.319 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001447555367 929398547 /nfs/dbraw/zinc/39/85/47/929398547.db2.gz WMKBJCDXWDNSAA-ZJUUUORDSA-N 1 1 309.374 -1.319 20 0 DAADMO CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001447587160 929402573 /nfs/dbraw/zinc/40/25/73/929402573.db2.gz CADSPXBXPFDAFK-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001447631934 929403213 /nfs/dbraw/zinc/40/32/13/929403213.db2.gz KRXOGHQQUCFWSF-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001447631934 929403218 /nfs/dbraw/zinc/40/32/18/929403218.db2.gz KRXOGHQQUCFWSF-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC001447618142 929403984 /nfs/dbraw/zinc/40/39/84/929403984.db2.gz QSZWZJIGQYLMEP-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001447637397 929404430 /nfs/dbraw/zinc/40/44/30/929404430.db2.gz KHCVEGSYKHEUHI-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO Cc1nnc(CC(=O)NC2(CO)CC[NH+]([C@@H](C)C(N)=O)CC2)[nH]1 ZINC001447715416 929407884 /nfs/dbraw/zinc/40/78/84/929407884.db2.gz HYMALDOIXWGYBS-VIFPVBQESA-N 1 1 324.385 -1.527 20 0 DAADMO O=C(Cc1cc[nH]n1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001447715647 929408749 /nfs/dbraw/zinc/40/87/49/929408749.db2.gz VHIXHAAUWUYJQW-LBPRGKRZSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001447742593 929409613 /nfs/dbraw/zinc/40/96/13/929409613.db2.gz YGMVVWICXUHULD-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001447723697 929409654 /nfs/dbraw/zinc/40/96/54/929409654.db2.gz OXQHQARIYZLZBL-UHFFFAOYSA-N 1 1 323.353 -1.515 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001447758820 929410157 /nfs/dbraw/zinc/41/01/57/929410157.db2.gz PLHDPVFKBJYIEV-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@]2(F)CCOC2)CC1 ZINC001447725556 929410382 /nfs/dbraw/zinc/41/03/82/929410382.db2.gz HRISAOVAUCSAII-HZMBPMFUSA-N 1 1 317.361 -1.068 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001447731316 929410543 /nfs/dbraw/zinc/41/05/43/929410543.db2.gz UGRKWLDODLLQEM-VIFPVBQESA-N 1 1 310.358 -1.836 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 ZINC001447726086 929410653 /nfs/dbraw/zinc/41/06/53/929410653.db2.gz PTNBIURVSPTZQX-SNVBAGLBSA-N 1 1 313.358 -1.631 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CCCC(N)=O)CC1 ZINC001447738610 929410770 /nfs/dbraw/zinc/41/07/70/929410770.db2.gz PCHYXSSCYXLVFX-SNVBAGLBSA-N 1 1 314.386 -1.541 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](C)O ZINC001447766064 929412208 /nfs/dbraw/zinc/41/22/08/929412208.db2.gz FHXUNGPUJFLXDQ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCO)c1=O ZINC001447761104 929412223 /nfs/dbraw/zinc/41/22/23/929412223.db2.gz QHOPXKXHCOCEQE-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)n(C)c1=O ZINC001447767436 929412575 /nfs/dbraw/zinc/41/25/75/929412575.db2.gz JAVLKEXMKCNAIV-JTQLQIEISA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)n(C)c1=O ZINC001447767436 929412580 /nfs/dbraw/zinc/41/25/80/929412580.db2.gz JAVLKEXMKCNAIV-JTQLQIEISA-N 1 1 309.370 -1.255 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001447784677 929412592 /nfs/dbraw/zinc/41/25/92/929412592.db2.gz LKNSFQKJGFGPHD-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001447784677 929412597 /nfs/dbraw/zinc/41/25/97/929412597.db2.gz LKNSFQKJGFGPHD-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001447784675 929412653 /nfs/dbraw/zinc/41/26/53/929412653.db2.gz LKNSFQKJGFGPHD-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001447784675 929412659 /nfs/dbraw/zinc/41/26/59/929412659.db2.gz LKNSFQKJGFGPHD-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857538 929415262 /nfs/dbraw/zinc/41/52/62/929415262.db2.gz VRPSTSNTJULQQO-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857538 929415265 /nfs/dbraw/zinc/41/52/65/929415265.db2.gz VRPSTSNTJULQQO-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447858425 929415573 /nfs/dbraw/zinc/41/55/73/929415573.db2.gz ZWESPUIJEFYFBD-SCZZXKLOSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447858425 929415578 /nfs/dbraw/zinc/41/55/78/929415578.db2.gz ZWESPUIJEFYFBD-SCZZXKLOSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001447948058 929420482 /nfs/dbraw/zinc/42/04/82/929420482.db2.gz OMCVFXYHEZJGEU-ZJUUUORDSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)n1cncn1 ZINC001448017302 929422528 /nfs/dbraw/zinc/42/25/28/929422528.db2.gz VFPJXPMUTBITHC-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1cncn1 ZINC001448017302 929422533 /nfs/dbraw/zinc/42/25/33/929422533.db2.gz VFPJXPMUTBITHC-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CC(=O)NC(N)=O ZINC001448013464 929424018 /nfs/dbraw/zinc/42/40/18/929424018.db2.gz FPOVYDUWQDXVRO-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001448030002 929424862 /nfs/dbraw/zinc/42/48/62/929424862.db2.gz BAJZATGAGUHSCN-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001448030002 929424869 /nfs/dbraw/zinc/42/48/69/929424869.db2.gz BAJZATGAGUHSCN-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)CC(=O)NC(N)=O ZINC001448034852 929425111 /nfs/dbraw/zinc/42/51/11/929425111.db2.gz CJBVZTDFTHTSBI-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)CC(=O)NC(N)=O ZINC001448034852 929425119 /nfs/dbraw/zinc/42/51/19/929425119.db2.gz CJBVZTDFTHTSBI-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037924 929425169 /nfs/dbraw/zinc/42/51/69/929425169.db2.gz AAOCCJHNAQLJCW-VHSXEESVSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037924 929425177 /nfs/dbraw/zinc/42/51/77/929425177.db2.gz AAOCCJHNAQLJCW-VHSXEESVSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037918 929425720 /nfs/dbraw/zinc/42/57/20/929425720.db2.gz AAOCCJHNAQLJCW-NXEZZACHSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001448037918 929425726 /nfs/dbraw/zinc/42/57/26/929425726.db2.gz AAOCCJHNAQLJCW-NXEZZACHSA-N 1 1 312.374 -1.847 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)CC(=O)N(C)C ZINC001448042554 929426242 /nfs/dbraw/zinc/42/62/42/929426242.db2.gz OEXFXNLZHHULLG-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)CC(=O)N(C)C ZINC001448042554 929426249 /nfs/dbraw/zinc/42/62/49/929426249.db2.gz OEXFXNLZHHULLG-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001448039090 929426270 /nfs/dbraw/zinc/42/62/70/929426270.db2.gz MOXHQHAEOKSGRZ-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001448030730 929426611 /nfs/dbraw/zinc/42/66/11/929426611.db2.gz CUHNGHDGNFSLDH-ZJUUUORDSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001448030730 929426615 /nfs/dbraw/zinc/42/66/15/929426615.db2.gz CUHNGHDGNFSLDH-ZJUUUORDSA-N 1 1 302.375 -1.599 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001448046922 929427401 /nfs/dbraw/zinc/42/74/01/929427401.db2.gz ZPTDKYORJKHWKW-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[N@H+](C)CC(N)=O ZINC001448071738 929427441 /nfs/dbraw/zinc/42/74/41/929427441.db2.gz QMCZAYTZLMLUPG-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[N@@H+](C)CC(N)=O ZINC001448071738 929427446 /nfs/dbraw/zinc/42/74/46/929427446.db2.gz QMCZAYTZLMLUPG-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001448062161 929427480 /nfs/dbraw/zinc/42/74/80/929427480.db2.gz HXQINFSNSWAYJN-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001448074390 929428551 /nfs/dbraw/zinc/42/85/51/929428551.db2.gz WRLDPYXWDOPGPN-SECBINFHSA-N 1 1 321.341 -1.190 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448078994 929428709 /nfs/dbraw/zinc/42/87/09/929428709.db2.gz MIWLUBPBSICWKY-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001448078994 929428716 /nfs/dbraw/zinc/42/87/16/929428716.db2.gz MIWLUBPBSICWKY-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)[N@H+](C)CC(N)=O ZINC001448071735 929428786 /nfs/dbraw/zinc/42/87/86/929428786.db2.gz QMCZAYTZLMLUPG-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)[N@@H+](C)CC(N)=O ZINC001448071735 929428792 /nfs/dbraw/zinc/42/87/92/929428792.db2.gz QMCZAYTZLMLUPG-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001448062151 929429112 /nfs/dbraw/zinc/42/91/12/929429112.db2.gz HXQINFSNSWAYJN-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001448059154 929429169 /nfs/dbraw/zinc/42/91/69/929429169.db2.gz BXASFJNYQOSFDD-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC001448138733 929433047 /nfs/dbraw/zinc/43/30/47/929433047.db2.gz BZAKQEUOFTTXMC-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC001448138733 929433056 /nfs/dbraw/zinc/43/30/56/929433056.db2.gz BZAKQEUOFTTXMC-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001448174583 929436942 /nfs/dbraw/zinc/43/69/42/929436942.db2.gz RGGACYQVBIMXAS-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1nnc(C(=O)NC2(CCO)C[NH+](CC3CCOCC3)C2)n1 ZINC001448189242 929438601 /nfs/dbraw/zinc/43/86/01/929438601.db2.gz OHTHPLVRFBIZBM-UHFFFAOYSA-N 1 1 324.385 -1.197 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001448200014 929440702 /nfs/dbraw/zinc/44/07/02/929440702.db2.gz KHKPQFRFFGKVNB-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2(CCO)C[NH+](CC3CC3)C2)nn1 ZINC001448205754 929440822 /nfs/dbraw/zinc/44/08/22/929440822.db2.gz WQURPZJTHWWEFE-UHFFFAOYSA-N 1 1 322.369 -1.660 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1ncnn1 ZINC001448214971 929443044 /nfs/dbraw/zinc/44/30/44/929443044.db2.gz FATWPZRYYHPTTO-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001448273387 929444450 /nfs/dbraw/zinc/44/44/50/929444450.db2.gz LZUVKQLIDWDAHZ-JTQLQIEISA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448299328 929444770 /nfs/dbraw/zinc/44/47/70/929444770.db2.gz RIYORPYHLSNWTB-WCQYABFASA-N 1 1 310.398 -1.356 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448303359 929444985 /nfs/dbraw/zinc/44/49/85/929444985.db2.gz KORXGEDAAOSFHE-JGVFFNPUSA-N 1 1 321.403 -2.650 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001448295178 929445766 /nfs/dbraw/zinc/44/57/66/929445766.db2.gz MYWQVNCMVISCMP-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448326443 929447344 /nfs/dbraw/zinc/44/73/44/929447344.db2.gz CVJNCDYMAOIQBU-UWVGGRQHSA-N 1 1 311.386 -2.272 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001448326450 929447883 /nfs/dbraw/zinc/44/78/83/929447883.db2.gz CVJNCDYMAOIQBU-VHSXEESVSA-N 1 1 311.386 -2.272 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001448366796 929448737 /nfs/dbraw/zinc/44/87/37/929448737.db2.gz HQQFHLJBYFVBHC-SMDDNHRTSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001448366796 929448743 /nfs/dbraw/zinc/44/87/43/929448743.db2.gz HQQFHLJBYFVBHC-SMDDNHRTSA-N 1 1 314.386 -1.007 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CCNS(C)(=O)=O ZINC001448381498 929448974 /nfs/dbraw/zinc/44/89/74/929448974.db2.gz BGIOMAWFRNKHEH-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001448366790 929449964 /nfs/dbraw/zinc/44/99/64/929449964.db2.gz HQQFHLJBYFVBHC-FZMZJTMJSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001448366790 929449973 /nfs/dbraw/zinc/44/99/73/929449973.db2.gz HQQFHLJBYFVBHC-FZMZJTMJSA-N 1 1 314.386 -1.007 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1 ZINC001448411505 929451394 /nfs/dbraw/zinc/45/13/94/929451394.db2.gz OEMXYOAVDZRSAG-FVCCEPFGSA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001448407256 929451479 /nfs/dbraw/zinc/45/14/79/929451479.db2.gz KPVRSJPABQZBIC-WISYIIOYSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001448436325 929452737 /nfs/dbraw/zinc/45/27/37/929452737.db2.gz QYSFWDJCUGWJDO-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO Cn1nccc1COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001448429162 929452866 /nfs/dbraw/zinc/45/28/66/929452866.db2.gz LJLUGRPGCVRQHN-XYYAHUGASA-N 1 1 321.381 -1.284 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001448433646 929452967 /nfs/dbraw/zinc/45/29/67/929452967.db2.gz WUUXBRXMQTUGCU-CHWFTXMASA-N 1 1 309.370 -1.902 20 0 DAADMO O=C(CCc1cn[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448441268 929453418 /nfs/dbraw/zinc/45/34/18/929453418.db2.gz KKRINADPXDEPSX-RVMXOQNASA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448441268 929453426 /nfs/dbraw/zinc/45/34/26/929453426.db2.gz KKRINADPXDEPSX-RVMXOQNASA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448441268 929453430 /nfs/dbraw/zinc/45/34/30/929453430.db2.gz KKRINADPXDEPSX-RVMXOQNASA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448441268 929453435 /nfs/dbraw/zinc/45/34/35/929453435.db2.gz KKRINADPXDEPSX-RVMXOQNASA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001448441268 929453443 /nfs/dbraw/zinc/45/34/43/929453443.db2.gz KKRINADPXDEPSX-RVMXOQNASA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001448470499 929453913 /nfs/dbraw/zinc/45/39/13/929453913.db2.gz SRBOPOYLOMEYOA-SCZZXKLOSA-N 1 1 311.342 -1.570 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001448449644 929454800 /nfs/dbraw/zinc/45/48/00/929454800.db2.gz PGIXNPAULZIBBC-RVMXOQNASA-N 1 1 318.381 -1.149 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001448510267 929456150 /nfs/dbraw/zinc/45/61/50/929456150.db2.gz LVNUDLDAXIQORB-GMTAPVOTSA-N 1 1 311.386 -1.240 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001448474855 929457023 /nfs/dbraw/zinc/45/70/23/929457023.db2.gz QBMLJJGZESAICH-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001448474855 929457033 /nfs/dbraw/zinc/45/70/33/929457033.db2.gz QBMLJJGZESAICH-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001448536035 929458343 /nfs/dbraw/zinc/45/83/43/929458343.db2.gz PZWGEQCAFOVVQF-RYUDHWBXSA-N 1 1 314.386 -1.402 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001448538575 929459122 /nfs/dbraw/zinc/45/91/22/929459122.db2.gz CCHQGPJCVMJUBJ-UHFFFAOYSA-N 1 1 324.385 -1.260 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001448549398 929459469 /nfs/dbraw/zinc/45/94/69/929459469.db2.gz ZTZGOKJGUFKBJM-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001448639941 929461135 /nfs/dbraw/zinc/46/11/35/929461135.db2.gz BEDVCLYIAUXONH-BDAKNGLRSA-N 1 1 318.403 -1.248 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001448630332 929461983 /nfs/dbraw/zinc/46/19/83/929461983.db2.gz VSDFESHYIBKVIS-KOLCDFICSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001448667809 929464036 /nfs/dbraw/zinc/46/40/36/929464036.db2.gz BWAXUGUSSBMLIH-NXEZZACHSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cnc[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001448676313 929464132 /nfs/dbraw/zinc/46/41/32/929464132.db2.gz HFFJTMQJKOMQHN-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001448710762 929464769 /nfs/dbraw/zinc/46/47/69/929464769.db2.gz LRYNNGMMUKLTRD-NXEZZACHSA-N 1 1 300.363 -1.192 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001448720184 929466799 /nfs/dbraw/zinc/46/67/99/929466799.db2.gz NQJDSZKSZQZHKR-GXSJLCMTSA-N 1 1 309.374 -1.225 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn4nccc4c3=O)C[C@H]2C1 ZINC001448723701 929468467 /nfs/dbraw/zinc/46/84/67/929468467.db2.gz DVQLYXKWBOBAQU-PHIMTYICSA-N 1 1 302.338 -1.089 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CCCC(N)=O ZINC001448765969 929470326 /nfs/dbraw/zinc/47/03/26/929470326.db2.gz JURSNLQDGLRBNS-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CCCC(N)=O ZINC001448765969 929470332 /nfs/dbraw/zinc/47/03/32/929470332.db2.gz JURSNLQDGLRBNS-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CN(CCNC(=O)c1ccnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448755145 929470514 /nfs/dbraw/zinc/47/05/14/929470514.db2.gz VSGZMLAKWLBXAL-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1ccnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448755145 929470517 /nfs/dbraw/zinc/47/05/17/929470517.db2.gz VSGZMLAKWLBXAL-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001448784732 929472135 /nfs/dbraw/zinc/47/21/35/929472135.db2.gz UCNCWFDGOHKZBM-MRVPVSSYSA-N 1 1 317.371 -1.502 20 0 DAADMO CN(CCNC(=O)CN1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448805285 929473794 /nfs/dbraw/zinc/47/37/94/929473794.db2.gz XQNCAZBEYQZTPW-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ccco1)N1CCNC(=O)C1 ZINC001448799714 929473825 /nfs/dbraw/zinc/47/38/25/929473825.db2.gz NKENFEOKUKQGMD-JTQLQIEISA-N 1 1 324.337 -2.082 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2cn(C)nn2)CC[N@H+]1C ZINC001448820203 929480032 /nfs/dbraw/zinc/48/00/32/929480032.db2.gz HHUANLPAZPODLB-RAIGVLPGSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)CCO2)ncn1 ZINC001448822006 929480860 /nfs/dbraw/zinc/48/08/60/929480860.db2.gz ALRCQKMROSRSEL-UONOGXRCSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)ncn1 ZINC001448824569 929482548 /nfs/dbraw/zinc/48/25/48/929482548.db2.gz HAUREYFYYOPVHH-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cnn1 ZINC001448826984 929483672 /nfs/dbraw/zinc/48/36/72/929483672.db2.gz SSOYSXCEEFCXCK-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001448829151 929484681 /nfs/dbraw/zinc/48/46/81/929484681.db2.gz GLCCREXXLMDCFD-NXEZZACHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)n[nH]1 ZINC001448827070 929484849 /nfs/dbraw/zinc/48/48/49/929484849.db2.gz FRYHXKRYIRRDPE-LLVKDONJSA-N 1 1 321.385 -1.301 20 0 DAADMO CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001448830017 929485967 /nfs/dbraw/zinc/48/59/67/929485967.db2.gz KMTUNCFCGAAGLS-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001448830014 929486123 /nfs/dbraw/zinc/48/61/23/929486123.db2.gz OUFJSTMSZDZCMK-GHMZBOCLSA-N 1 1 309.326 -1.540 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001448829349 929486928 /nfs/dbraw/zinc/48/69/28/929486928.db2.gz IYCSAFWQGUCNPI-WDEREUQCSA-N 1 1 324.385 -1.077 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001448833307 929487190 /nfs/dbraw/zinc/48/71/90/929487190.db2.gz KAJPUISJOOTEBJ-QWRGUYRKSA-N 1 1 310.354 -1.060 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001448833292 929487209 /nfs/dbraw/zinc/48/72/09/929487209.db2.gz KAJPUISJOOTEBJ-GHMZBOCLSA-N 1 1 310.354 -1.060 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NCC(=O)N2CCC2)CCC1 ZINC001448834672 929487898 /nfs/dbraw/zinc/48/78/98/929487898.db2.gz DDDRSXGJSMBJIK-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@H]1COC(=O)N1 ZINC001448838198 929488593 /nfs/dbraw/zinc/48/85/93/929488593.db2.gz YUOIKIJAXUBAQE-HTRCEHHLSA-N 1 1 301.328 -1.787 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)CC1=O ZINC001448833662 929489287 /nfs/dbraw/zinc/48/92/87/929489287.db2.gz BKRUKYZMVQTQKT-DTWKUNHWSA-N 1 1 313.383 -1.417 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001448841559 929490148 /nfs/dbraw/zinc/49/01/48/929490148.db2.gz LXSHLYCKMJIDPA-NWDGAFQWSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001448841564 929491096 /nfs/dbraw/zinc/49/10/96/929491096.db2.gz LXSHLYCKMJIDPA-RYUDHWBXSA-N 1 1 323.397 -1.097 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448847168 929492790 /nfs/dbraw/zinc/49/27/90/929492790.db2.gz WEDKHNRMLHWCHZ-GFCCVEGCSA-N 1 1 321.385 -1.334 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccn(C)n2)CC1=O ZINC001448849161 929494593 /nfs/dbraw/zinc/49/45/93/929494593.db2.gz RERCQZITQYKESP-AAEUAGOBSA-N 1 1 323.397 -1.145 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001448850234 929495001 /nfs/dbraw/zinc/49/50/01/929495001.db2.gz SKVYKPRVFYHPER-ZJUUUORDSA-N 1 1 310.358 -1.467 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001448851574 929495450 /nfs/dbraw/zinc/49/54/50/929495450.db2.gz ZQJDBOWIVWFYEA-SNVBAGLBSA-N 1 1 309.330 -1.510 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001448853480 929495694 /nfs/dbraw/zinc/49/56/94/929495694.db2.gz BWTQTZPKMVUHSY-NEPJUHHUSA-N 1 1 300.403 -1.341 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001448859191 929497855 /nfs/dbraw/zinc/49/78/55/929497855.db2.gz FHZRAENBUXMSNV-CYBMUJFWSA-N 1 1 319.365 -1.001 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1nnnn1C ZINC001448865022 929498868 /nfs/dbraw/zinc/49/88/68/929498868.db2.gz AWDUCNPBEPXJBO-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001448873618 929502256 /nfs/dbraw/zinc/50/22/56/929502256.db2.gz HRXBDQIGFCFGSR-SNVBAGLBSA-N 1 1 319.383 -1.016 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001448873239 929502379 /nfs/dbraw/zinc/50/23/79/929502379.db2.gz ZLQAICFDMMJZDU-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@]2(C)CCNC(=O)C2)n1 ZINC001448878713 929504094 /nfs/dbraw/zinc/50/40/94/929504094.db2.gz MXCBQDKXMDFRIK-IUODEOHRSA-N 1 1 323.397 -1.097 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)c2[nH]nnc2C)n1 ZINC001448879545 929504610 /nfs/dbraw/zinc/50/46/10/929504610.db2.gz ARGDXQURUPAMMP-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448876338 929504806 /nfs/dbraw/zinc/50/48/06/929504806.db2.gz CIFPIICGLPZPIG-GFCCVEGCSA-N 1 1 321.385 -1.105 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)c2[nH]nnc2C)n1 ZINC001448879535 929505341 /nfs/dbraw/zinc/50/53/41/929505341.db2.gz ARGDXQURUPAMMP-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001448887545 929506520 /nfs/dbraw/zinc/50/65/20/929506520.db2.gz JSZPFBZIUWLVOY-GHMZBOCLSA-N 1 1 323.353 -1.662 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001448892656 929508452 /nfs/dbraw/zinc/50/84/52/929508452.db2.gz RUDJVQIWWCDZFC-NEPJUHHUSA-N 1 1 324.385 -1.507 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001448892220 929508491 /nfs/dbraw/zinc/50/84/91/929508491.db2.gz JKWBQDGQPBOIAN-JTQLQIEISA-N 1 1 320.357 -1.767 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001448901193 929511476 /nfs/dbraw/zinc/51/14/76/929511476.db2.gz UFSORVCBYIFMDT-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001448895773 929511683 /nfs/dbraw/zinc/51/16/83/929511683.db2.gz MHXBTVFYBOYBLA-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)N[C@@H]2CCCNC2=O)CC1 ZINC001448899545 929511811 /nfs/dbraw/zinc/51/18/11/929511811.db2.gz RIKUICAQZZAUTN-NWDGAFQWSA-N 1 1 312.414 -1.327 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001448895771 929511832 /nfs/dbraw/zinc/51/18/32/929511832.db2.gz MHXBTVFYBOYBLA-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001448913133 929513513 /nfs/dbraw/zinc/51/35/13/929513513.db2.gz VMLUCLWQGKQLBT-MNOVXSKESA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913133 929513521 /nfs/dbraw/zinc/51/35/21/929513521.db2.gz VMLUCLWQGKQLBT-MNOVXSKESA-N 1 1 302.419 -1.095 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001448914169 929514200 /nfs/dbraw/zinc/51/42/00/929514200.db2.gz WXIUHPFOSCFVAZ-OLZOCXBDSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001448914167 929514877 /nfs/dbraw/zinc/51/48/77/929514877.db2.gz WXIUHPFOSCFVAZ-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001448922102 929515795 /nfs/dbraw/zinc/51/57/95/929515795.db2.gz ODLVDTZGSYLMHM-NSHDSACASA-N 1 1 316.402 -2.090 20 0 DAADMO Cc1nc(CN[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001448940770 929519762 /nfs/dbraw/zinc/51/97/62/929519762.db2.gz DTWFTUDINDKAFV-LLVKDONJSA-N 1 1 308.386 -1.224 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NC ZINC001448944574 929521980 /nfs/dbraw/zinc/52/19/80/929521980.db2.gz IQGRZSWJJNDNND-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001448945944 929522472 /nfs/dbraw/zinc/52/24/72/929522472.db2.gz BPDPNHPDKANMMJ-JTQLQIEISA-N 1 1 317.390 -2.151 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001448945944 929522480 /nfs/dbraw/zinc/52/24/80/929522480.db2.gz BPDPNHPDKANMMJ-JTQLQIEISA-N 1 1 317.390 -2.151 20 0 DAADMO CCN1CC[C@H](N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001448956177 929525301 /nfs/dbraw/zinc/52/53/01/929525301.db2.gz QEZDJBBZEFTXRV-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2nnnn2C2CC2)C1 ZINC001448950569 929525965 /nfs/dbraw/zinc/52/59/65/929525965.db2.gz IAFKEVBIYVFSQT-WDEREUQCSA-N 1 1 323.401 -1.474 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001448976534 929527566 /nfs/dbraw/zinc/52/75/66/929527566.db2.gz DXPRPDIORGLXGD-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001448976535 929527890 /nfs/dbraw/zinc/52/78/90/929527890.db2.gz DXPRPDIORGLXGD-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NCc1nncn1C ZINC001448957413 929528265 /nfs/dbraw/zinc/52/82/65/929528265.db2.gz RVVNOGZMRZQFGJ-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)N(C)C ZINC001448960769 929528635 /nfs/dbraw/zinc/52/86/35/929528635.db2.gz XONOVXPIQUFYSI-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)CCNC(N)=O ZINC001449049150 929532535 /nfs/dbraw/zinc/53/25/35/929532535.db2.gz LIJXVXBUBASCMY-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCF)[C@@H]1C ZINC001449035470 929532781 /nfs/dbraw/zinc/53/27/81/929532781.db2.gz LDRUVSPSFCQGRK-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCF)[C@@H]1C ZINC001449035470 929532789 /nfs/dbraw/zinc/53/27/89/929532789.db2.gz LDRUVSPSFCQGRK-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001449038811 929533277 /nfs/dbraw/zinc/53/32/77/929533277.db2.gz YTYMKYUFLBGOAU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001449038811 929533288 /nfs/dbraw/zinc/53/32/88/929533288.db2.gz YTYMKYUFLBGOAU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001449019702 929533621 /nfs/dbraw/zinc/53/36/21/929533621.db2.gz ZGJWBIXPHMGVPI-SMDDNHRTSA-N 1 1 321.385 -1.078 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001449019699 929533681 /nfs/dbraw/zinc/53/36/81/929533681.db2.gz ZGJWBIXPHMGVPI-RISCZKNCSA-N 1 1 321.385 -1.078 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001449038809 929533831 /nfs/dbraw/zinc/53/38/31/929533831.db2.gz YTYMKYUFLBGOAU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001449038809 929533841 /nfs/dbraw/zinc/53/38/41/929533841.db2.gz YTYMKYUFLBGOAU-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001449062187 929535859 /nfs/dbraw/zinc/53/58/59/929535859.db2.gz AOSWNSVVRFGUJD-NXEZZACHSA-N 1 1 308.338 -1.233 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001449095237 929536649 /nfs/dbraw/zinc/53/66/49/929536649.db2.gz UIZYGGLCWZSMEL-ONGXEEELSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@@H]1CCCO1 ZINC001449096534 929537689 /nfs/dbraw/zinc/53/76/89/929537689.db2.gz RAJQEACPHTWNQZ-QWRGUYRKSA-N 1 1 312.374 -1.312 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001449088397 929537932 /nfs/dbraw/zinc/53/79/32/929537932.db2.gz GTKAZNGTZHEETH-PWSUYJOCSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccoc1 ZINC001449103070 929539346 /nfs/dbraw/zinc/53/93/46/929539346.db2.gz ADBOWZNIHKKMSW-NSHDSACASA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)on1 ZINC001449096788 929539812 /nfs/dbraw/zinc/53/98/12/929539812.db2.gz WGCKFUBIQDFGGC-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cc[nH]n1 ZINC001449104938 929540370 /nfs/dbraw/zinc/54/03/70/929540370.db2.gz QXMZYEGKBZGFHT-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1CCOC1 ZINC001449104931 929540448 /nfs/dbraw/zinc/54/04/48/929540448.db2.gz CVSADIGHGYJGEM-CMPLNLGQSA-N 1 1 324.385 -1.047 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cccn1 ZINC001449114497 929541204 /nfs/dbraw/zinc/54/12/04/929541204.db2.gz JYPJDIWNEMIKCE-NSHDSACASA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2COCCO2)[nH]1 ZINC001449112935 929541266 /nfs/dbraw/zinc/54/12/66/929541266.db2.gz HZYSGUQXLWIEAU-QWRGUYRKSA-N 1 1 313.358 -1.563 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@]12C[C@H]1COC2 ZINC001449110730 929541639 /nfs/dbraw/zinc/54/16/39/929541639.db2.gz QPQKBSKAAKVPTR-CWSCBRNRSA-N 1 1 310.358 -1.845 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cc[nH]n1 ZINC001449105574 929541912 /nfs/dbraw/zinc/54/19/12/929541912.db2.gz SETNJLZNXVDICK-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn(C)nn2)[nH]1 ZINC001449113464 929541964 /nfs/dbraw/zinc/54/19/64/929541964.db2.gz CPVJALGIIKCRKX-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnn(C)c1 ZINC001449117366 929543435 /nfs/dbraw/zinc/54/34/35/929543435.db2.gz RTNCRHBMJXMCIM-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nccs1)C(=O)Cn1ncnn1 ZINC001449116758 929543960 /nfs/dbraw/zinc/54/39/60/929543960.db2.gz DMYDWJBJWDWGAW-VIFPVBQESA-N 1 1 311.371 -1.261 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001449117660 929544497 /nfs/dbraw/zinc/54/44/97/929544497.db2.gz SGKPMSUPGBOFJD-JTQLQIEISA-N 1 1 313.358 -1.187 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001449120336 929545122 /nfs/dbraw/zinc/54/51/22/929545122.db2.gz VENUSOVNMKQIPQ-NXEZZACHSA-N 1 1 322.373 -1.273 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001449122264 929546303 /nfs/dbraw/zinc/54/63/03/929546303.db2.gz KRFCFQAWARKHPF-LLVKDONJSA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnnn1C ZINC001449130810 929549173 /nfs/dbraw/zinc/54/91/73/929549173.db2.gz YGFZJQZZSCJIHU-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)[nH]1 ZINC001449130392 929549914 /nfs/dbraw/zinc/54/99/14/929549914.db2.gz UKGLFWKQFPWKFJ-JTQLQIEISA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001449141345 929551056 /nfs/dbraw/zinc/55/10/56/929551056.db2.gz VOYRPVULZGYPJG-VIFPVBQESA-N 1 1 321.341 -1.879 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001449150240 929553100 /nfs/dbraw/zinc/55/31/00/929553100.db2.gz QLJFHAURNQXMJA-ZYHUDNBSSA-N 1 1 311.386 -1.257 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cncn1C ZINC001449149016 929554071 /nfs/dbraw/zinc/55/40/71/929554071.db2.gz WJDOHJYCLGPWON-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(CCNC(=O)CCn1cnnn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449150911 929555250 /nfs/dbraw/zinc/55/52/50/929555250.db2.gz GZEHHWJBCWLUSH-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)Cc1nnc[nH]1 ZINC001449157756 929555338 /nfs/dbraw/zinc/55/53/38/929555338.db2.gz DOWBFZBIZOHPQZ-QMMMGPOBSA-N 1 1 311.371 -1.192 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001449151627 929555856 /nfs/dbraw/zinc/55/58/56/929555856.db2.gz CPYCLAUCHSHDFD-KKOKHZNYSA-N 1 1 324.385 -1.314 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449158250 929555925 /nfs/dbraw/zinc/55/59/25/929555925.db2.gz VCSCSEWHSFDVFX-GHMZBOCLSA-N 1 1 311.342 -1.393 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449158378 929556145 /nfs/dbraw/zinc/55/61/45/929556145.db2.gz VCSCSEWHSFDVFX-QWRGUYRKSA-N 1 1 311.342 -1.393 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)CCn1cnnn1 ZINC001449159282 929557774 /nfs/dbraw/zinc/55/77/74/929557774.db2.gz GLBWWZTWZMUFLK-NSHDSACASA-N 1 1 309.330 -1.340 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cncn1C ZINC001449164288 929557891 /nfs/dbraw/zinc/55/78/91/929557891.db2.gz SNCOKMYCJCRKEB-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)CCn1cnnn1 ZINC001449159276 929558029 /nfs/dbraw/zinc/55/80/29/929558029.db2.gz GLBWWZTWZMUFLK-LLVKDONJSA-N 1 1 309.330 -1.340 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001449160668 929558074 /nfs/dbraw/zinc/55/80/74/929558074.db2.gz WXSOCIZZLILSRP-WDEREUQCSA-N 1 1 309.370 -1.103 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1nnc[n-]1 ZINC001449159825 929558642 /nfs/dbraw/zinc/55/86/42/929558642.db2.gz LFXNGWBMEZMLIG-UWVGGRQHSA-N 1 1 310.358 -2.013 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001449159020 929558852 /nfs/dbraw/zinc/55/88/52/929558852.db2.gz YUIPTNBASRCPAM-LBPRGKRZSA-N 1 1 305.400 -1.106 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001449166527 929558912 /nfs/dbraw/zinc/55/89/12/929558912.db2.gz XACOCFJNGQWVDV-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001449165824 929558943 /nfs/dbraw/zinc/55/89/43/929558943.db2.gz OPUAUAXIYFJMEK-NSHDSACASA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001449166569 929559179 /nfs/dbraw/zinc/55/91/79/929559179.db2.gz ZDYFNYOINLZEGU-MXWKQRLJSA-N 1 1 307.354 -1.493 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ncccn1 ZINC001449164942 929559287 /nfs/dbraw/zinc/55/92/87/929559287.db2.gz OBZORKFDBVNENM-VIFPVBQESA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1nnc[n-]1 ZINC001449159827 929559383 /nfs/dbraw/zinc/55/93/83/929559383.db2.gz LFXNGWBMEZMLIG-VHSXEESVSA-N 1 1 310.358 -2.013 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)o1 ZINC001449185819 929563097 /nfs/dbraw/zinc/56/30/97/929563097.db2.gz ILOICCGRADIOCG-WCBMZHEXSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)o1 ZINC001449185819 929563100 /nfs/dbraw/zinc/56/31/00/929563100.db2.gz ILOICCGRADIOCG-WCBMZHEXSA-N 1 1 313.358 -1.455 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001449191833 929563150 /nfs/dbraw/zinc/56/31/50/929563150.db2.gz QREIWQNNNRFXMR-ONGXEEELSA-N 1 1 312.374 -1.556 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001449182720 929563385 /nfs/dbraw/zinc/56/33/85/929563385.db2.gz NUHQUBCDYDIHGI-SNVBAGLBSA-N 1 1 313.358 -1.050 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)o1 ZINC001449185816 929563442 /nfs/dbraw/zinc/56/34/42/929563442.db2.gz ILOICCGRADIOCG-SCZZXKLOSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)o1 ZINC001449185816 929563449 /nfs/dbraw/zinc/56/34/49/929563449.db2.gz ILOICCGRADIOCG-SCZZXKLOSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nocc1C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449187219 929563675 /nfs/dbraw/zinc/56/36/75/929563675.db2.gz KMCOMSWXFRIBBB-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1nocc1C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449187219 929563683 /nfs/dbraw/zinc/56/36/83/929563683.db2.gz KMCOMSWXFRIBBB-GFCCVEGCSA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1cncn1 ZINC001449192706 929564479 /nfs/dbraw/zinc/56/44/79/929564479.db2.gz XIWILLDNHHYPPC-SNVBAGLBSA-N 1 1 308.346 -1.984 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001449200130 929565220 /nfs/dbraw/zinc/56/52/20/929565220.db2.gz XSNQZHYJHJGKSW-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449196004 929565296 /nfs/dbraw/zinc/56/52/96/929565296.db2.gz UPMNFCIKZCLVBV-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449196004 929565304 /nfs/dbraw/zinc/56/53/04/929565304.db2.gz UPMNFCIKZCLVBV-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200347 929567030 /nfs/dbraw/zinc/56/70/30/929567030.db2.gz ZKKBBMFQRQDRCN-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200347 929567042 /nfs/dbraw/zinc/56/70/42/929567042.db2.gz ZKKBBMFQRQDRCN-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CO[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202325 929567944 /nfs/dbraw/zinc/56/79/44/929567944.db2.gz RSFYJTIKZNGCTN-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202325 929567949 /nfs/dbraw/zinc/56/79/49/929567949.db2.gz RSFYJTIKZNGCTN-WDEREUQCSA-N 1 1 310.416 -1.183 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001449211581 929568193 /nfs/dbraw/zinc/56/81/93/929568193.db2.gz IECPUQFYQSOGPB-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001449211581 929568203 /nfs/dbraw/zinc/56/82/03/929568203.db2.gz IECPUQFYQSOGPB-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202324 929568386 /nfs/dbraw/zinc/56/83/86/929568386.db2.gz RSFYJTIKZNGCTN-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202324 929568388 /nfs/dbraw/zinc/56/83/88/929568388.db2.gz RSFYJTIKZNGCTN-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)on1 ZINC001449213523 929568793 /nfs/dbraw/zinc/56/87/93/929568793.db2.gz MXDPXQQBARRRCG-SECBINFHSA-N 1 1 314.342 -1.077 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)on1 ZINC001449213523 929568804 /nfs/dbraw/zinc/56/88/04/929568804.db2.gz MXDPXQQBARRRCG-SECBINFHSA-N 1 1 314.342 -1.077 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001449200659 929568988 /nfs/dbraw/zinc/56/89/88/929568988.db2.gz PKOZFWFCHUVHED-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001449200659 929568999 /nfs/dbraw/zinc/56/89/99/929568999.db2.gz PKOZFWFCHUVHED-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001449211577 929569344 /nfs/dbraw/zinc/56/93/44/929569344.db2.gz IECPUQFYQSOGPB-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001449211577 929569352 /nfs/dbraw/zinc/56/93/52/929569352.db2.gz IECPUQFYQSOGPB-HTQZYQBOSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001449211578 929569496 /nfs/dbraw/zinc/56/94/96/929569496.db2.gz IECPUQFYQSOGPB-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001449211578 929569504 /nfs/dbraw/zinc/56/95/04/929569504.db2.gz IECPUQFYQSOGPB-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2n1CCOC2 ZINC001449205589 929569908 /nfs/dbraw/zinc/56/99/08/929569908.db2.gz AAVYGJCXOYUXNG-NSHDSACASA-N 1 1 312.370 -1.230 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001449210472 929570361 /nfs/dbraw/zinc/57/03/61/929570361.db2.gz GJMSECKUWFMMGC-RXSPXGNFSA-N 1 1 311.382 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001449210472 929570370 /nfs/dbraw/zinc/57/03/70/929570370.db2.gz GJMSECKUWFMMGC-RXSPXGNFSA-N 1 1 311.382 -1.354 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001449236832 929571626 /nfs/dbraw/zinc/57/16/26/929571626.db2.gz UELWQWCZUJSIQA-VHSXEESVSA-N 1 1 313.358 -1.123 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001449236832 929571639 /nfs/dbraw/zinc/57/16/39/929571639.db2.gz UELWQWCZUJSIQA-VHSXEESVSA-N 1 1 313.358 -1.123 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449220957 929571876 /nfs/dbraw/zinc/57/18/76/929571876.db2.gz XPJHAOZJFQMPOS-RKDXNWHRSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001449220957 929571885 /nfs/dbraw/zinc/57/18/85/929571885.db2.gz XPJHAOZJFQMPOS-RKDXNWHRSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001449237349 929572063 /nfs/dbraw/zinc/57/20/63/929572063.db2.gz JLSKTXSKRLLPLZ-MNOVXSKESA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCCC(=O)N1 ZINC001449231987 929572528 /nfs/dbraw/zinc/57/25/28/929572528.db2.gz VBGDXHXCABUYJF-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001449221881 929572546 /nfs/dbraw/zinc/57/25/46/929572546.db2.gz CCVDOIRROHKZHJ-IUCAKERBSA-N 1 1 302.331 -2.672 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001449220339 929573016 /nfs/dbraw/zinc/57/30/16/929573016.db2.gz WDSIHEUYGWXLGZ-SNVBAGLBSA-N 1 1 315.374 -3.345 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001449220339 929573026 /nfs/dbraw/zinc/57/30/26/929573026.db2.gz WDSIHEUYGWXLGZ-SNVBAGLBSA-N 1 1 315.374 -3.345 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCN1CCCC1=O ZINC001449235527 929573270 /nfs/dbraw/zinc/57/32/70/929573270.db2.gz QNNIYKOTNGKLEB-GFCCVEGCSA-N 1 1 301.387 -1.258 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001449226368 929573346 /nfs/dbraw/zinc/57/33/46/929573346.db2.gz LFTPWZKAQBNSMU-LBPRGKRZSA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001449226368 929573354 /nfs/dbraw/zinc/57/33/54/929573354.db2.gz LFTPWZKAQBNSMU-LBPRGKRZSA-N 1 1 324.381 -1.504 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001449237351 929573641 /nfs/dbraw/zinc/57/36/41/929573641.db2.gz JLSKTXSKRLLPLZ-WDEREUQCSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449251623 929576759 /nfs/dbraw/zinc/57/67/59/929576759.db2.gz YHSMGMHPOKHUBT-QWRGUYRKSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)C(C)(C)C ZINC001449240910 929576828 /nfs/dbraw/zinc/57/68/28/929576828.db2.gz IAAJOZXZAMSVOR-LLVKDONJSA-N 1 1 303.403 -1.108 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cn1cncn1 ZINC001449338828 929579491 /nfs/dbraw/zinc/57/94/91/929579491.db2.gz HNHPMDTYKIKWDV-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cn1cncn1 ZINC001449338828 929579502 /nfs/dbraw/zinc/57/95/02/929579502.db2.gz HNHPMDTYKIKWDV-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@@H](CO)C(N)=O)cn1 ZINC001449340008 929579706 /nfs/dbraw/zinc/57/97/06/929579706.db2.gz GWFCRPYIWSKBIB-UTUOFQBUSA-N 1 1 309.370 -1.582 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCN(C)C1=O ZINC001449326290 929580004 /nfs/dbraw/zinc/58/00/04/929580004.db2.gz HHSDJFHMIZMNJU-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCN(C)C1=O ZINC001449326290 929580007 /nfs/dbraw/zinc/58/00/07/929580007.db2.gz HHSDJFHMIZMNJU-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001449337978 929580307 /nfs/dbraw/zinc/58/03/07/929580307.db2.gz DIUWDAMQHTXDIQ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001449344972 929581255 /nfs/dbraw/zinc/58/12/55/929581255.db2.gz RWARGXJJJQXTSY-LLVKDONJSA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC001449344972 929581264 /nfs/dbraw/zinc/58/12/64/929581264.db2.gz RWARGXJJJQXTSY-LLVKDONJSA-N 1 1 310.358 -1.286 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CNC(N)=O ZINC001449586644 929589861 /nfs/dbraw/zinc/58/98/61/929589861.db2.gz WFHNAWYJGBNUCI-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)Cn2cnnn2)C2CC2)C1 ZINC001449867667 929598670 /nfs/dbraw/zinc/59/86/70/929598670.db2.gz XQVRLWLYCHBKFU-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001449857287 929599066 /nfs/dbraw/zinc/59/90/66/929599066.db2.gz HTGBVQVFUUYYEP-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001449857287 929599077 /nfs/dbraw/zinc/59/90/77/929599077.db2.gz HTGBVQVFUUYYEP-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001449860432 929599429 /nfs/dbraw/zinc/59/94/29/929599429.db2.gz YPYFOEFLMFOIRJ-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001450026011 929602732 /nfs/dbraw/zinc/60/27/32/929602732.db2.gz DRFAFOXABZUNRO-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001450099127 929606596 /nfs/dbraw/zinc/60/65/96/929606596.db2.gz OWARSKMNXDJUJI-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001450089035 929607082 /nfs/dbraw/zinc/60/70/82/929607082.db2.gz PBCGFPMKSOMCTI-AWEZNQCLSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001450089035 929607089 /nfs/dbraw/zinc/60/70/89/929607089.db2.gz PBCGFPMKSOMCTI-AWEZNQCLSA-N 1 1 312.414 -1.061 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001450290497 929616305 /nfs/dbraw/zinc/61/63/05/929616305.db2.gz CTQDUGDMTOHCLW-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001450309107 929619866 /nfs/dbraw/zinc/61/98/66/929619866.db2.gz IZBRAJHJWOBXLJ-RYUDHWBXSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001450309107 929619872 /nfs/dbraw/zinc/61/98/72/929619872.db2.gz IZBRAJHJWOBXLJ-RYUDHWBXSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001450309102 929621269 /nfs/dbraw/zinc/62/12/69/929621269.db2.gz IZBRAJHJWOBXLJ-NWDGAFQWSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001450309102 929621274 /nfs/dbraw/zinc/62/12/74/929621274.db2.gz IZBRAJHJWOBXLJ-NWDGAFQWSA-N 1 1 315.370 -1.695 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001450346871 929624545 /nfs/dbraw/zinc/62/45/45/929624545.db2.gz MKPGXIWDSSFVMS-NSHDSACASA-N 1 1 311.386 -1.146 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001450340791 929624898 /nfs/dbraw/zinc/62/48/98/929624898.db2.gz WSVQZIDUKICWJY-SNVBAGLBSA-N 1 1 313.402 -1.042 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(C)=O)C2)C1 ZINC001450354555 929625005 /nfs/dbraw/zinc/62/50/05/929625005.db2.gz ARWFZRJRQABPOK-GFCCVEGCSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(C)=O)C2)C1 ZINC001450354555 929625011 /nfs/dbraw/zinc/62/50/11/929625011.db2.gz ARWFZRJRQABPOK-GFCCVEGCSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001450368901 929626104 /nfs/dbraw/zinc/62/61/04/929626104.db2.gz XVOIATNLWUAZSK-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001450397771 929628565 /nfs/dbraw/zinc/62/85/65/929628565.db2.gz FUROJLSWCMGQTR-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1cc(C[NH+](C)C)on1)C(=O)C(N)=O ZINC001514715997 929648124 /nfs/dbraw/zinc/64/81/24/929648124.db2.gz HDDUNMGBBPVHIP-VIFPVBQESA-N 1 1 323.353 -1.106 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001517446722 929652405 /nfs/dbraw/zinc/65/24/05/929652405.db2.gz LBFPYCUNSUTDKR-UHFFFAOYSA-N 1 1 313.402 -2.103 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001517446722 929652412 /nfs/dbraw/zinc/65/24/12/929652412.db2.gz LBFPYCUNSUTDKR-UHFFFAOYSA-N 1 1 313.402 -2.103 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1=O ZINC001518896412 929652793 /nfs/dbraw/zinc/65/27/93/929652793.db2.gz CZSJZTGZZYVDOE-GUBZILKMSA-N 1 1 308.338 -1.137 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001521464241 929662261 /nfs/dbraw/zinc/66/22/61/929662261.db2.gz SZPCHOCOCOTKID-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001521464241 929662270 /nfs/dbraw/zinc/66/22/70/929662270.db2.gz SZPCHOCOCOTKID-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001521464241 929662277 /nfs/dbraw/zinc/66/22/77/929662277.db2.gz SZPCHOCOCOTKID-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCNC(=O)c2cnccn2)C1 ZINC001521708477 929662908 /nfs/dbraw/zinc/66/29/08/929662908.db2.gz NPYPWJCPHNMJOB-UHFFFAOYSA-N 1 1 320.397 -1.184 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001522089688 929666362 /nfs/dbraw/zinc/66/63/62/929666362.db2.gz QPSORTFYEAUCQE-AWEZNQCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+](CC(=O)NCCNC(=O)Cn1cnnn1)CC(C)(C)C ZINC001522511296 929673544 /nfs/dbraw/zinc/67/35/44/929673544.db2.gz YIGCQJHXANVCQQ-UHFFFAOYSA-N 1 1 311.390 -1.117 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001522528581 929675616 /nfs/dbraw/zinc/67/56/16/929675616.db2.gz JJPYOCUTMADCJF-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001522557178 929679586 /nfs/dbraw/zinc/67/95/86/929679586.db2.gz NFPRMBZIQLMDNU-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C(=O)NCC2CC2)C1 ZINC001522568950 929682641 /nfs/dbraw/zinc/68/26/41/929682641.db2.gz QMCJBCXSILIPJT-LLVKDONJSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)C(=O)NCC2CC2)C1 ZINC001522568950 929682649 /nfs/dbraw/zinc/68/26/49/929682649.db2.gz QMCJBCXSILIPJT-LLVKDONJSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CO[C@H]2CCOC2)C1 ZINC001522572192 929682716 /nfs/dbraw/zinc/68/27/16/929682716.db2.gz YBFVQEUMVDICAG-NWDGAFQWSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CO[C@H]2CCOC2)C1 ZINC001522572192 929682723 /nfs/dbraw/zinc/68/27/23/929682723.db2.gz YBFVQEUMVDICAG-NWDGAFQWSA-N 1 1 315.370 -1.645 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@@]1(C)CCNC1=O ZINC001522655630 929690439 /nfs/dbraw/zinc/69/04/39/929690439.db2.gz WISVTSGAEMQOPE-AWEZNQCLSA-N 1 1 307.354 -1.050 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2ccnc2)C1 ZINC001522674559 929691374 /nfs/dbraw/zinc/69/13/74/929691374.db2.gz FVZDJQJFUBDZCU-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cn2ccnc2)C1 ZINC001522674559 929691383 /nfs/dbraw/zinc/69/13/83/929691383.db2.gz FVZDJQJFUBDZCU-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CNC(=O)NC)C1 ZINC001522676147 929691839 /nfs/dbraw/zinc/69/18/39/929691839.db2.gz WHJDPMUSLGYLQX-JTQLQIEISA-N 1 1 315.374 -2.132 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CNC(=O)NC)C1 ZINC001522676147 929691849 /nfs/dbraw/zinc/69/18/49/929691849.db2.gz WHJDPMUSLGYLQX-JTQLQIEISA-N 1 1 315.374 -2.132 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)Cn2cccn2)C1 ZINC001522835999 929705742 /nfs/dbraw/zinc/70/57/42/929705742.db2.gz CWKNGJYUYRDTKY-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)Cn2cccn2)C1 ZINC001522835999 929705751 /nfs/dbraw/zinc/70/57/51/929705751.db2.gz CWKNGJYUYRDTKY-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO Cn1nncc1C(=O)NCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522868418 929708281 /nfs/dbraw/zinc/70/82/81/929708281.db2.gz ACUKMZFLDRSFPM-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1nncc1C(=O)NCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522868418 929708285 /nfs/dbraw/zinc/70/82/85/929708285.db2.gz ACUKMZFLDRSFPM-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001522973062 929712552 /nfs/dbraw/zinc/71/25/52/929712552.db2.gz ZYUMJMMVPFUPLL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001523412261 929727678 /nfs/dbraw/zinc/72/76/78/929727678.db2.gz QRJKFXFHKOVNFR-LLVKDONJSA-N 1 1 324.385 -1.100 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001524053298 929734149 /nfs/dbraw/zinc/73/41/49/929734149.db2.gz QKOWJGGLCZQPOB-UHFFFAOYSA-N 1 1 321.381 -1.307 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN2CCN(C(=O)C3CC3)CC2)C1 ZINC001524072958 929736007 /nfs/dbraw/zinc/73/60/07/929736007.db2.gz FUZCRRMWWPMPOC-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN2CCN(C(=O)C3CC3)CC2)C1 ZINC001524072958 929736013 /nfs/dbraw/zinc/73/60/13/929736013.db2.gz FUZCRRMWWPMPOC-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001526183939 929758652 /nfs/dbraw/zinc/75/86/52/929758652.db2.gz BUTRCEZORKJXCX-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CN(C)C(=O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001526187172 929761333 /nfs/dbraw/zinc/76/13/33/929761333.db2.gz XOQLETWFFODWHR-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001527111507 929775215 /nfs/dbraw/zinc/77/52/15/929775215.db2.gz VTYCSAIKXZTOQZ-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001527164105 929775375 /nfs/dbraw/zinc/77/53/75/929775375.db2.gz IVZJOZHFGFIIOB-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001527164111 929776153 /nfs/dbraw/zinc/77/61/53/929776153.db2.gz IVZJOZHFGFIIOB-NWDGAFQWSA-N 1 1 321.385 -1.411 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1CC(=O)NC(=O)C1 ZINC001527982556 929789211 /nfs/dbraw/zinc/78/92/11/929789211.db2.gz FIFKHVJFFHILPX-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCNC1=O ZINC001528007505 929792028 /nfs/dbraw/zinc/79/20/28/929792028.db2.gz RLDSTVMYSBSOML-QWRGUYRKSA-N 1 1 312.370 -1.972 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCNC1=O ZINC001528007505 929792041 /nfs/dbraw/zinc/79/20/41/929792041.db2.gz RLDSTVMYSBSOML-QWRGUYRKSA-N 1 1 312.370 -1.972 20 0 DAADMO CCn1nncc1C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528095971 929793941 /nfs/dbraw/zinc/79/39/41/929793941.db2.gz LKPWQTIRSFZIIV-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1nncc1C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528095971 929793948 /nfs/dbraw/zinc/79/39/48/929793948.db2.gz LKPWQTIRSFZIIV-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1nncc1C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528095970 929794107 /nfs/dbraw/zinc/79/41/07/929794107.db2.gz LKPWQTIRSFZIIV-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1nncc1C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528095970 929794117 /nfs/dbraw/zinc/79/41/17/929794117.db2.gz LKPWQTIRSFZIIV-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CN(CCNC(=O)c1cncn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528365503 929802911 /nfs/dbraw/zinc/80/29/11/929802911.db2.gz YFSJBHQWCWKTGW-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cncn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528365503 929802921 /nfs/dbraw/zinc/80/29/21/929802921.db2.gz YFSJBHQWCWKTGW-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)CCn1cnnn1 ZINC001528565066 929810299 /nfs/dbraw/zinc/81/02/99/929810299.db2.gz YJCCIRLVXKLRMW-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001528582708 929812668 /nfs/dbraw/zinc/81/26/68/929812668.db2.gz ARAHGILOHVKLMT-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001528744802 929818177 /nfs/dbraw/zinc/81/81/77/929818177.db2.gz ZWEKKRPBSPJYNE-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CNC(=O)NC ZINC001528863447 929819724 /nfs/dbraw/zinc/81/97/24/929819724.db2.gz OGCJVWQWDWVQJA-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001528965798 929821357 /nfs/dbraw/zinc/82/13/57/929821357.db2.gz XSDWMDMZJFWUAS-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(CCNC(=O)C(N)=O)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001529070078 929823742 /nfs/dbraw/zinc/82/37/42/929823742.db2.gz OQKYFQORCJZCPX-LLVKDONJSA-N 1 1 324.385 -1.737 20 0 DAADMO CC(=O)N(C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001530096236 929834151 /nfs/dbraw/zinc/83/41/51/929834151.db2.gz UNKBJTPWRZQNQZ-CQSZACIVSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(=O)N(C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001530096236 929834157 /nfs/dbraw/zinc/83/41/57/929834157.db2.gz UNKBJTPWRZQNQZ-CQSZACIVSA-N 1 1 312.414 -1.061 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001530389347 929842006 /nfs/dbraw/zinc/84/20/06/929842006.db2.gz MKIMXIAIDCFBLJ-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)C2 ZINC001530387965 929843228 /nfs/dbraw/zinc/84/32/28/929843228.db2.gz WZQMXGPTGNRBTI-JTQLQIEISA-N 1 1 319.365 -1.044 20 0 DAADMO CC(=O)NCC(=O)N1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001530520935 929853998 /nfs/dbraw/zinc/85/39/98/929853998.db2.gz DLUYYVKTLYGZKD-UHFFFAOYSA-N 1 1 323.353 -1.187 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cn2nccn2)C1 ZINC001530540639 929854975 /nfs/dbraw/zinc/85/49/75/929854975.db2.gz JNTZGDQSAHNBNH-UHFFFAOYSA-N 1 1 322.369 -1.673 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530635403 929860176 /nfs/dbraw/zinc/86/01/76/929860176.db2.gz HWSSSWAAZQAWAD-VXGBXAGGSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530635403 929860185 /nfs/dbraw/zinc/86/01/85/929860185.db2.gz HWSSSWAAZQAWAD-VXGBXAGGSA-N 1 1 315.370 -1.695 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001530793641 929870857 /nfs/dbraw/zinc/87/08/57/929870857.db2.gz XPQIBIFMTYWVAM-NSHDSACASA-N 1 1 311.386 -1.417 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001530879318 929872456 /nfs/dbraw/zinc/87/24/56/929872456.db2.gz ZHZUSKGDQFNVEQ-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001530882776 929873944 /nfs/dbraw/zinc/87/39/44/929873944.db2.gz UUHRKVATAUJRQS-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)NCC1CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001530882779 929874102 /nfs/dbraw/zinc/87/41/02/929874102.db2.gz UUHRKVATAUJRQS-RYUDHWBXSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001530882781 929874199 /nfs/dbraw/zinc/87/41/99/929874199.db2.gz UUHRKVATAUJRQS-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001531049689 929876799 /nfs/dbraw/zinc/87/67/99/929876799.db2.gz MPJIEWLJOYJQKF-RYUDHWBXSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](CNC(=O)CNC(C)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001531049689 929876808 /nfs/dbraw/zinc/87/68/08/929876808.db2.gz MPJIEWLJOYJQKF-RYUDHWBXSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](CNC(=O)CNC(C)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001531049683 929877765 /nfs/dbraw/zinc/87/77/65/929877765.db2.gz MPJIEWLJOYJQKF-NEPJUHHUSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](CNC(=O)CNC(C)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001531049683 929877774 /nfs/dbraw/zinc/87/77/74/929877774.db2.gz MPJIEWLJOYJQKF-NEPJUHHUSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231004 929881102 /nfs/dbraw/zinc/88/11/02/929881102.db2.gz IKAMFQCWZAFUMJ-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231004 929881108 /nfs/dbraw/zinc/88/11/08/929881108.db2.gz IKAMFQCWZAFUMJ-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001532095572 929891239 /nfs/dbraw/zinc/89/12/39/929891239.db2.gz IPQOKUSQTXXBED-QJPTWQEYSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CNC(=O)Cn1ncnn1 ZINC001532249020 929893769 /nfs/dbraw/zinc/89/37/69/929893769.db2.gz UTWWOJGDHPZBPQ-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)CNC(=O)C(N)=O)C1 ZINC001532255796 929894044 /nfs/dbraw/zinc/89/40/44/929894044.db2.gz TWTFULXDYNJZDF-UWVGGRQHSA-N 1 1 300.359 -1.939 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)CNC(=O)C(N)=O)C1 ZINC001532255796 929894047 /nfs/dbraw/zinc/89/40/47/929894047.db2.gz TWTFULXDYNJZDF-UWVGGRQHSA-N 1 1 300.359 -1.939 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001532236440 929894248 /nfs/dbraw/zinc/89/42/48/929894248.db2.gz MPNWWVODAMPMFD-QWRGUYRKSA-N 1 1 313.402 -1.264 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001532300253 929895298 /nfs/dbraw/zinc/89/52/98/929895298.db2.gz PNWKLZRDTIKONA-KOLCDFICSA-N 1 1 322.369 -1.259 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001532741828 929898340 /nfs/dbraw/zinc/89/83/40/929898340.db2.gz NTIVOKIBABFWCL-RYUDHWBXSA-N 1 1 323.401 -1.118 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001532741863 929898505 /nfs/dbraw/zinc/89/85/05/929898505.db2.gz OICHMWKHFFSJLI-MNOVXSKESA-N 1 1 313.402 -1.137 20 0 DAADMO CN(CCN(C)C(=O)Cn1cnnn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001532881345 929900293 /nfs/dbraw/zinc/90/02/93/929900293.db2.gz GTELBNDAWFNPNO-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(CCN(C)C(=O)Cn1cnnn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001532881340 929900663 /nfs/dbraw/zinc/90/06/63/929900663.db2.gz GTELBNDAWFNPNO-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001532886304 929901091 /nfs/dbraw/zinc/90/10/91/929901091.db2.gz FGGFZWKQVSCIKC-LLVKDONJSA-N 1 1 309.374 -1.458 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)Cn2cnnn2)C1 ZINC001532886758 929901247 /nfs/dbraw/zinc/90/12/47/929901247.db2.gz VFGFCVQGCYLHJP-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cnccn1 ZINC001533158431 929908705 /nfs/dbraw/zinc/90/87/05/929908705.db2.gz JEFJKKNJMRLAIY-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cnccn1 ZINC001533158440 929909454 /nfs/dbraw/zinc/90/94/54/929909454.db2.gz JEFJKKNJMRLAIY-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001533159221 929910717 /nfs/dbraw/zinc/91/07/17/929910717.db2.gz YAAIYRCSMDDADX-QWRGUYRKSA-N 1 1 300.359 -2.333 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001533169763 929911736 /nfs/dbraw/zinc/91/17/36/929911736.db2.gz UTJCJMTXEXJHJY-CYBMUJFWSA-N 1 1 324.381 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001533169337 929912123 /nfs/dbraw/zinc/91/21/23/929912123.db2.gz SRUQAANNRIEUBZ-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO COCCCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533191282 929918007 /nfs/dbraw/zinc/91/80/07/929918007.db2.gz IHVZXHSXBCDIOC-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001533203378 929923531 /nfs/dbraw/zinc/92/35/31/929923531.db2.gz QXFYIQHYTJJHJA-QWHCGFSZSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001533207918 929924189 /nfs/dbraw/zinc/92/41/89/929924189.db2.gz MEUOQXWBXXQGKD-ZJUUUORDSA-N 1 1 312.370 -2.061 20 0 DAADMO CC(C)OCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533205791 929925068 /nfs/dbraw/zinc/92/50/68/929925068.db2.gz UEMOEBWQEGHABO-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001533209857 929926001 /nfs/dbraw/zinc/92/60/01/929926001.db2.gz ZTAFZKWVRJUJEX-WPRPVWTQSA-N 1 1 313.333 -1.150 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217144 929927600 /nfs/dbraw/zinc/92/76/00/929927600.db2.gz NUPVZRNAMFKNQZ-CHWSQXEVSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217144 929927614 /nfs/dbraw/zinc/92/76/14/929927614.db2.gz NUPVZRNAMFKNQZ-CHWSQXEVSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221320 929927732 /nfs/dbraw/zinc/92/77/32/929927732.db2.gz VERVTJRELNHJBT-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221320 929927738 /nfs/dbraw/zinc/92/77/38/929927738.db2.gz VERVTJRELNHJBT-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001533231292 929929542 /nfs/dbraw/zinc/92/95/42/929929542.db2.gz YROWONNDPWWWLT-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2ccnc2)C1 ZINC001533265349 929936957 /nfs/dbraw/zinc/93/69/57/929936957.db2.gz BWHBZCKXKVEBHX-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001533268055 929937161 /nfs/dbraw/zinc/93/71/61/929937161.db2.gz RHDAOORUTKFXTI-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2cnoc2)C1 ZINC001533266901 929937173 /nfs/dbraw/zinc/93/71/73/929937173.db2.gz LJJUYNDPRDUFRA-VXGBXAGGSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001533268790 929937194 /nfs/dbraw/zinc/93/71/94/929937194.db2.gz WOKXQIQALNUNRU-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cnoc2)C1 ZINC001533266898 929937214 /nfs/dbraw/zinc/93/72/14/929937214.db2.gz LJJUYNDPRDUFRA-RYUDHWBXSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001533266252 929937900 /nfs/dbraw/zinc/93/79/00/929937900.db2.gz HRRFWWLRPSVZOC-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001533277792 929938851 /nfs/dbraw/zinc/93/88/51/929938851.db2.gz BYKKZMAGLWKRTM-NSHDSACASA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNC(=O)Cn2cnnn2)C1 ZINC001533370229 929946750 /nfs/dbraw/zinc/94/67/50/929946750.db2.gz VLIFMHIBFDUCGX-OTDNITJGSA-N 1 1 307.358 -1.587 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001533675808 929955088 /nfs/dbraw/zinc/95/50/88/929955088.db2.gz ACWZJGGUEVCEFU-KXUCPTDWSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001533675808 929955101 /nfs/dbraw/zinc/95/51/01/929955101.db2.gz ACWZJGGUEVCEFU-KXUCPTDWSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001533675809 929956024 /nfs/dbraw/zinc/95/60/24/929956024.db2.gz ACWZJGGUEVCEFU-UTLUCORTSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001533675809 929956028 /nfs/dbraw/zinc/95/60/28/929956028.db2.gz ACWZJGGUEVCEFU-UTLUCORTSA-N 1 1 315.374 -2.005 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001534670248 929969441 /nfs/dbraw/zinc/96/94/41/929969441.db2.gz OPJLEZBOOHUXRP-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001534670458 929969534 /nfs/dbraw/zinc/96/95/34/929969534.db2.gz QAVPOAFEGACUMF-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001534745417 929972514 /nfs/dbraw/zinc/97/25/14/929972514.db2.gz MRUGVIOWKOLIGZ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001534745417 929972517 /nfs/dbraw/zinc/97/25/17/929972517.db2.gz MRUGVIOWKOLIGZ-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001534855301 929978194 /nfs/dbraw/zinc/97/81/94/929978194.db2.gz CEKAZTOVMYLSEO-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001534949864 929979266 /nfs/dbraw/zinc/97/92/66/929979266.db2.gz ILHNTEWZRIRNCQ-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CCN1C(=O)c1nc[nH]n1 ZINC001534917173 929979690 /nfs/dbraw/zinc/97/96/90/929979690.db2.gz QBZKOVZIQWKLDZ-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001534967904 929981531 /nfs/dbraw/zinc/98/15/31/929981531.db2.gz GNZGYLCILZEKPH-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)Cn3cnnn3)CC2)C1 ZINC001535109776 929987082 /nfs/dbraw/zinc/98/70/82/929987082.db2.gz GASJHMOLTZOOFE-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001535278922 929990512 /nfs/dbraw/zinc/99/05/12/929990512.db2.gz QEXBHOXFZVEQCE-GHMZBOCLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)C3(NC(N)=O)CC3)CC2)C1 ZINC001535277843 929991091 /nfs/dbraw/zinc/99/10/91/929991091.db2.gz CAUARXCPGSWUMN-SNVBAGLBSA-N 1 1 323.397 -1.096 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(NC(=O)Cn3cnnn3)CC2)C1 ZINC001535633664 929994947 /nfs/dbraw/zinc/99/49/47/929994947.db2.gz DVVAAAUUVRQUMD-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001535781152 929995692 /nfs/dbraw/zinc/99/56/92/929995692.db2.gz FCOSHSLUMRQHKC-SECBINFHSA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001535872855 929996450 /nfs/dbraw/zinc/99/64/50/929996450.db2.gz AIVZBHPPTGSCJS-MNOVXSKESA-N 1 1 323.397 -1.083 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001535990592 929997107 /nfs/dbraw/zinc/99/71/07/929997107.db2.gz PSMRWCLHWPBLBR-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@H](C)NC(N)=O)C1 ZINC001536341671 930001767 /nfs/dbraw/zinc/00/17/67/930001767.db2.gz IHDNZXLAMWKGLS-VIFPVBQESA-N 1 1 322.369 -1.082 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001536399833 930003980 /nfs/dbraw/zinc/00/39/80/930003980.db2.gz YQEWDQSYIDASPN-JTQLQIEISA-N 1 1 311.386 -1.464 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1 ZINC001536742412 930008476 /nfs/dbraw/zinc/00/84/76/930008476.db2.gz OTFHDAVUYHMTJD-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)CN1CC[NH+](C)CC1 ZINC001542936091 930024200 /nfs/dbraw/zinc/02/42/00/930024200.db2.gz UMOWDFTYPNCPPB-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)CN1CC[NH+](C)CC1 ZINC001542936092 930024709 /nfs/dbraw/zinc/02/47/09/930024709.db2.gz UMOWDFTYPNCPPB-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001544139654 930026133 /nfs/dbraw/zinc/02/61/33/930026133.db2.gz UAWSHMVBMDLMGX-GARJFASQSA-N 1 1 311.386 -1.275 20 0 DAADMO O=C(C[C@@H]1CNCCS1(=O)=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001548556487 930030507 /nfs/dbraw/zinc/03/05/07/930030507.db2.gz LNEZHKNWQQDTNR-RKDXNWHRSA-N 1 1 311.354 -1.171 20 0 DAADMO CN1CCN(c2cc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)ccn2)CC1 ZINC001548572717 930032139 /nfs/dbraw/zinc/03/21/39/930032139.db2.gz MXZMUABOCYITLL-OLZOCXBDSA-N 1 1 305.382 -1.104 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)C(=O)N1CCOCC1 ZINC001548634453 930032639 /nfs/dbraw/zinc/03/26/39/930032639.db2.gz ISBUPWXFPFVDEL-AGIUHOORSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCCS1(=O)=O ZINC001548636068 930032980 /nfs/dbraw/zinc/03/29/80/930032980.db2.gz QDXHRLKSHNSQEK-NEPJUHHUSA-N 1 1 316.427 -1.474 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001548619448 930033280 /nfs/dbraw/zinc/03/32/80/930033280.db2.gz GJXCDHWVSJQXFW-RYUDHWBXSA-N 1 1 316.427 -1.522 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001548617503 930033451 /nfs/dbraw/zinc/03/34/51/930033451.db2.gz NQKJOMQUKIZMBA-UONOGXRCSA-N 1 1 323.441 -1.393 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001548617502 930033477 /nfs/dbraw/zinc/03/34/77/930033477.db2.gz NQKJOMQUKIZMBA-KGLIPLIRSA-N 1 1 323.441 -1.393 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001548645090 930033640 /nfs/dbraw/zinc/03/36/40/930033640.db2.gz CPSBVWMYLSADTI-MNOVXSKESA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC001548650361 930034117 /nfs/dbraw/zinc/03/41/17/930034117.db2.gz LAVUFXKXSZPHJZ-UTUOFQBUSA-N 1 1 316.427 -1.346 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001548617505 930034183 /nfs/dbraw/zinc/03/41/83/930034183.db2.gz NQKJOMQUKIZMBA-ZIAGYGMSSA-N 1 1 323.441 -1.393 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548622210 930034225 /nfs/dbraw/zinc/03/42/25/930034225.db2.gz JLUZPAILSVELMP-ZIAGYGMSSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCNS(C)(=O)=O ZINC001548645530 930035559 /nfs/dbraw/zinc/03/55/59/930035559.db2.gz BILOTNRDFGRFPE-QWRGUYRKSA-N 1 1 304.416 -1.618 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548622207 930035627 /nfs/dbraw/zinc/03/56/27/930035627.db2.gz JLUZPAILSVELMP-KBPBESRZSA-N 1 1 323.441 -1.345 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CCO1 ZINC001548649239 930035868 /nfs/dbraw/zinc/03/58/68/930035868.db2.gz ITVRDZYUEMXFAY-IACUBPJLSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC001548663701 930037742 /nfs/dbraw/zinc/03/77/42/930037742.db2.gz OGTNKAVKBZALCN-DGCLKSJQSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001548701924 930039296 /nfs/dbraw/zinc/03/92/96/930039296.db2.gz QRXHTXBSIPXPGW-YYJSSNLHSA-N 1 1 316.427 -1.429 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCn2nnc(CO)c2C1 ZINC001548708013 930039391 /nfs/dbraw/zinc/03/93/91/930039391.db2.gz PWDGNFKBBBPGFZ-GWCFXTLKSA-N 1 1 306.370 -1.499 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCS(=O)(=O)N(C)C ZINC001548707452 930039721 /nfs/dbraw/zinc/03/97/21/930039721.db2.gz XMWCYDWDHPVLFM-WDEREUQCSA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](CO)CN1CCOCC1 ZINC001548699611 930039904 /nfs/dbraw/zinc/03/99/04/930039904.db2.gz GFXKYFQHEVXHAO-HZSPNIEDSA-N 1 1 312.414 -1.816 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001548715245 930039979 /nfs/dbraw/zinc/03/99/79/930039979.db2.gz AKINOTFBXBRFPV-RVMXOQNASA-N 1 1 308.382 -1.509 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001548699150 930040182 /nfs/dbraw/zinc/04/01/82/930040182.db2.gz ZUEFHKGHJZHZBM-AGIUHOORSA-N 1 1 307.398 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001548725100 930040291 /nfs/dbraw/zinc/04/02/91/930040291.db2.gz NNFCOCPZUDGXRE-IJLUTSLNSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001548725865 930040754 /nfs/dbraw/zinc/04/07/54/930040754.db2.gz JEZZHYVNHADNSZ-RYUDHWBXSA-N 1 1 305.386 -1.158 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001548701921 930040814 /nfs/dbraw/zinc/04/08/14/930040814.db2.gz QRXHTXBSIPXPGW-HBIQZDMRSA-N 1 1 316.427 -1.429 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001548731093 930041130 /nfs/dbraw/zinc/04/11/30/930041130.db2.gz DQDGOVAXDHDUOL-ZIAGYGMSSA-N 1 1 324.425 -1.060 20 0 DAADMO CCn1cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)c(=O)[nH]c1=O ZINC001548770104 930042699 /nfs/dbraw/zinc/04/26/99/930042699.db2.gz NLYPAQQZDHVHEJ-ZYHUDNBSSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001548789085 930043324 /nfs/dbraw/zinc/04/33/24/930043324.db2.gz UVJSMDOXRDBXPG-GHMZBOCLSA-N 1 1 306.370 -1.767 20 0 DAADMO CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548791851 930045315 /nfs/dbraw/zinc/04/53/15/930045315.db2.gz FTALIXMKGHBWQH-KGYLQXTDSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548791851 930045333 /nfs/dbraw/zinc/04/53/33/930045333.db2.gz FTALIXMKGHBWQH-KGYLQXTDSA-N 1 1 320.397 -1.429 20 0 DAADMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548791851 930045354 /nfs/dbraw/zinc/04/53/54/930045354.db2.gz FTALIXMKGHBWQH-KGYLQXTDSA-N 1 1 320.397 -1.429 20 0 DAADMO Cn1nncc1C1(O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC001548787598 930045740 /nfs/dbraw/zinc/04/57/40/930045740.db2.gz RITJWSHPIWPRTQ-UHFFFAOYSA-N 1 1 308.386 -1.662 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001548996215 930046583 /nfs/dbraw/zinc/04/65/83/930046583.db2.gz LHXSSGOOOZYUHH-GMTAPVOTSA-N 1 1 310.354 -1.358 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548812972 930047002 /nfs/dbraw/zinc/04/70/02/930047002.db2.gz MCJDXQBHTPASMS-NWDGAFQWSA-N 1 1 320.397 -1.113 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001548978515 930047392 /nfs/dbraw/zinc/04/73/92/930047392.db2.gz WZETZGYOXBKMBO-YNEHKIRRSA-N 1 1 311.382 -1.051 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1=O ZINC001548993245 930047510 /nfs/dbraw/zinc/04/75/10/930047510.db2.gz CSRPBHHFCGIBNB-IJLUTSLNSA-N 1 1 324.381 -1.016 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001549042765 930048284 /nfs/dbraw/zinc/04/82/84/930048284.db2.gz AFSKQYUHKBCODC-JTQLQIEISA-N 1 1 318.337 -1.145 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548812974 930048658 /nfs/dbraw/zinc/04/86/58/930048658.db2.gz MCJDXQBHTPASMS-RYUDHWBXSA-N 1 1 320.397 -1.113 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001549042766 930048973 /nfs/dbraw/zinc/04/89/73/930048973.db2.gz AFSKQYUHKBCODC-SNVBAGLBSA-N 1 1 318.337 -1.145 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549173554 930050161 /nfs/dbraw/zinc/05/01/61/930050161.db2.gz VOLWXQWSLDKSEY-VWYCJHECSA-N 1 1 312.370 -1.858 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@H]1C(=O)N1CCOCC1 ZINC001549173550 930050585 /nfs/dbraw/zinc/05/05/85/930050585.db2.gz VOLWXQWSLDKSEY-MXWKQRLJSA-N 1 1 312.370 -1.858 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001549301148 930052715 /nfs/dbraw/zinc/05/27/15/930052715.db2.gz PPAQIBVXDPDBCC-SDDRHHMPSA-N 1 1 310.398 -1.051 20 0 DAADMO Cn1cc(O[C@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]2O)cn1 ZINC001549596081 930054162 /nfs/dbraw/zinc/05/41/62/930054162.db2.gz IBWIIVIQVXFBGN-RYUDHWBXSA-N 1 1 323.353 -1.262 20 0 DAADMO Cn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]2O)cn1 ZINC001549596081 930054173 /nfs/dbraw/zinc/05/41/73/930054173.db2.gz IBWIIVIQVXFBGN-RYUDHWBXSA-N 1 1 323.353 -1.262 20 0 DAADMO CCn1cc(O[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)cn1 ZINC001549594660 930055028 /nfs/dbraw/zinc/05/50/28/930055028.db2.gz BGDNUTSLKUAZJV-NEPJUHHUSA-N 1 1 323.353 -1.121 20 0 DAADMO CCn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)cn1 ZINC001549594660 930055042 /nfs/dbraw/zinc/05/50/42/930055042.db2.gz BGDNUTSLKUAZJV-NEPJUHHUSA-N 1 1 323.353 -1.121 20 0 DAADMO C[C@H]1CN(c2nc(N)nc(N)[nH+]2)C[C@H]1C(=O)N1CCOCC1 ZINC001549557384 930055116 /nfs/dbraw/zinc/05/51/16/930055116.db2.gz YIBCBKONLCHGQW-DTWKUNHWSA-N 1 1 307.358 -1.033 20 0 DAADMO CCn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)cn1 ZINC001549594665 930055652 /nfs/dbraw/zinc/05/56/52/930055652.db2.gz BGDNUTSLKUAZJV-NWDGAFQWSA-N 1 1 323.353 -1.121 20 0 DAADMO CCn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)cn1 ZINC001549594665 930055661 /nfs/dbraw/zinc/05/56/61/930055661.db2.gz BGDNUTSLKUAZJV-NWDGAFQWSA-N 1 1 323.353 -1.121 20 0 DAADMO CN1CC[C@@H](N2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)C1=O ZINC001550092810 930060052 /nfs/dbraw/zinc/06/00/52/930060052.db2.gz NBVHTRHJRPTMCQ-CQSZACIVSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC001550115550 930062541 /nfs/dbraw/zinc/06/25/41/930062541.db2.gz BETCWOFXGDTPLE-ZIAGYGMSSA-N 1 1 323.441 -1.297 20 0 DAADMO O=C(CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CO)NCC(=O)N1CCCC1 ZINC001550143590 930063032 /nfs/dbraw/zinc/06/30/32/930063032.db2.gz CZDKSLZYBRYUNY-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001550387668 930063403 /nfs/dbraw/zinc/06/34/03/930063403.db2.gz LTSVLHBQWTZZLB-JHJVBQTASA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CO)NCC(=O)N1CCCC1 ZINC001550143588 930063549 /nfs/dbraw/zinc/06/35/49/930063549.db2.gz CZDKSLZYBRYUNY-KBPBESRZSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1cc([C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2CO)cn1 ZINC001551024234 930065115 /nfs/dbraw/zinc/06/51/15/930065115.db2.gz CPKMMSWKSYUADT-QWHCGFSZSA-N 1 1 321.381 -1.614 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2CO)cn1 ZINC001551024234 930065130 /nfs/dbraw/zinc/06/51/30/930065130.db2.gz CPKMMSWKSYUADT-QWHCGFSZSA-N 1 1 321.381 -1.614 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNC3=O)C[C@@H]1COCC2 ZINC001551421697 930065988 /nfs/dbraw/zinc/06/59/88/930065988.db2.gz RFGXZWNWQAZPPE-QMTHXVAHSA-N 1 1 310.354 -1.377 20 0 DAADMO CNC(=O)[C@]12CN(C(=O)CN3CC[NH+](C)CC3)C[C@@H]1COCC2 ZINC001551452410 930067183 /nfs/dbraw/zinc/06/71/83/930067183.db2.gz QKIJEOWRSOPUMV-CZUORRHYSA-N 1 1 324.425 -1.155 20 0 DAADMO CNC(=O)[C@]12CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC001551452413 930067251 /nfs/dbraw/zinc/06/72/51/930067251.db2.gz QKIJEOWRSOPUMV-XJKSGUPXSA-N 1 1 324.425 -1.155 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)CN3CC[NH+](C)CC3)C[C@@H]1COCC2 ZINC001551452409 930067283 /nfs/dbraw/zinc/06/72/83/930067283.db2.gz QKIJEOWRSOPUMV-CJNGLKHVSA-N 1 1 324.425 -1.155 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]1COCC2 ZINC001551415307 930067535 /nfs/dbraw/zinc/06/75/35/930067535.db2.gz CQQKPZDODZCFCD-IAQYHMDHSA-N 1 1 324.381 -1.971 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]1COCC2 ZINC001551417422 930067726 /nfs/dbraw/zinc/06/77/26/930067726.db2.gz CIYKXVXQRTYRHU-IAQYHMDHSA-N 1 1 324.381 -1.035 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2COC[C@@H]2n2ccnn2)C1 ZINC001551888473 930067833 /nfs/dbraw/zinc/06/78/33/930067833.db2.gz VTLCTOXACXMACR-STQMWFEESA-N 1 1 308.386 -1.172 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCN[C@H](C)C2)nn1 ZINC001552163061 930070908 /nfs/dbraw/zinc/07/09/08/930070908.db2.gz SNYOXFRXPZJVDJ-NTZNESFSSA-N 1 1 308.386 -1.200 20 0 DAADMO CC(=O)N1CCO[C@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@@H]21 ZINC001552990437 930073977 /nfs/dbraw/zinc/07/39/77/930073977.db2.gz MBFPQNMRAVLTCE-GJZGRUSLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC001552987872 930074882 /nfs/dbraw/zinc/07/48/82/930074882.db2.gz OSBWQLJXFPTKHF-RYUDHWBXSA-N 1 1 319.427 -1.904 20 0 DAADMO CN(C(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC001552987872 930074889 /nfs/dbraw/zinc/07/48/89/930074889.db2.gz OSBWQLJXFPTKHF-RYUDHWBXSA-N 1 1 319.427 -1.904 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N[C@H]3C[N@@H+](C)C[C@@H]3O)CCC2=O)cn1 ZINC001553651692 930076409 /nfs/dbraw/zinc/07/64/09/930076409.db2.gz YJEYXDFRDQPWRD-WXHSDQCUSA-N 1 1 321.381 -1.046 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N[C@H]3C[N@@H+](C)C[C@@H]3O)CCC2=O)cn1 ZINC001553651689 930076862 /nfs/dbraw/zinc/07/68/62/930076862.db2.gz YJEYXDFRDQPWRD-DRZSPHRISA-N 1 1 321.381 -1.046 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3O)CCC2=O)cn1 ZINC001553651690 930077356 /nfs/dbraw/zinc/07/73/56/930077356.db2.gz YJEYXDFRDQPWRD-RTXFEEFZSA-N 1 1 321.381 -1.046 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC([NH2+]C3COC3)C2)c(=O)n(C)c1=O ZINC001558611454 930088576 /nfs/dbraw/zinc/08/85/76/930088576.db2.gz WKVDXXWZWBLCHW-ARJAWSKDSA-N 1 1 320.349 -1.704 20 0 DAADMO O=C1NC(=O)[C@@H]2C[N@H+]([C@H]3CCN(C4CCOCC4)C3=O)C[C@H]12 ZINC001559852854 930090691 /nfs/dbraw/zinc/09/06/91/930090691.db2.gz FNRNSNKCSYMCCV-TUAOUCFPSA-N 1 1 307.350 -1.029 20 0 DAADMO NC(=O)NC(=O)OCCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560169596 930090986 /nfs/dbraw/zinc/09/09/86/930090986.db2.gz RBDMSTGVSKHCNI-QMMMGPOBSA-N 1 1 321.359 -1.984 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001560169596 930090997 /nfs/dbraw/zinc/09/09/97/930090997.db2.gz RBDMSTGVSKHCNI-QMMMGPOBSA-N 1 1 321.359 -1.984 20 0 DAADMO Cn1ncnc1C1(O)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001560114986 930091022 /nfs/dbraw/zinc/09/10/22/930091022.db2.gz JSBSTQPTAWXTCH-UHFFFAOYSA-N 1 1 308.342 -1.350 20 0 DAADMO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001560444066 930091753 /nfs/dbraw/zinc/09/17/53/930091753.db2.gz BEPLXIJNCDKPPN-RYUDHWBXSA-N 1 1 313.358 -1.327 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCOCCS(N)(=O)=O ZINC001564892130 930096609 /nfs/dbraw/zinc/09/66/09/930096609.db2.gz OIIABYVFLBDUQN-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO CON(C)C(=O)CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001564949592 930097967 /nfs/dbraw/zinc/09/79/67/930097967.db2.gz NFKXZPVBZAXCGQ-LLVKDONJSA-N 1 1 301.391 -1.059 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCCS(N)(=O)=O)C1 ZINC001564994191 930098992 /nfs/dbraw/zinc/09/89/92/930098992.db2.gz GOVXZPNFBDBWLN-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001594513882 985813343 /nfs/dbraw/zinc/81/33/43/985813343.db2.gz QUAIDTISRNOGJF-JTQLQIEISA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001594513882 985813358 /nfs/dbraw/zinc/81/33/58/985813358.db2.gz QUAIDTISRNOGJF-JTQLQIEISA-N 1 1 314.386 -1.153 20 0 DAADMO COC(=O)[C@]1(O)CC[N@H+](CCC[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725470 995515545 /nfs/dbraw/zinc/51/55/45/995515545.db2.gz YEZACTBRNVNNRJ-KBPBESRZSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](CCC[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725470 995515551 /nfs/dbraw/zinc/51/55/51/995515551.db2.gz YEZACTBRNVNNRJ-KBPBESRZSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[NH+](CCC[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725470 995515558 /nfs/dbraw/zinc/51/55/58/995515558.db2.gz YEZACTBRNVNNRJ-KBPBESRZSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@]1(O)CC[NH+](CCC[N@H+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725470 995515566 /nfs/dbraw/zinc/51/55/66/995515566.db2.gz YEZACTBRNVNNRJ-KBPBESRZSA-N 1 1 316.354 -1.492 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720222 781919018 /nfs/dbraw/zinc/91/90/18/781919018.db2.gz QTPFMUDVGUDYCG-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720222 781919026 /nfs/dbraw/zinc/91/90/26/781919026.db2.gz QTPFMUDVGUDYCG-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697558 781920673 /nfs/dbraw/zinc/92/06/73/781920673.db2.gz VDRJKVCCCACEQK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001191769824 781920917 /nfs/dbraw/zinc/92/09/17/781920917.db2.gz BSIYWQLMPMHZLS-ZETCQYMHSA-N 1 1 310.318 -2.449 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001191769824 781920922 /nfs/dbraw/zinc/92/09/22/781920922.db2.gz BSIYWQLMPMHZLS-ZETCQYMHSA-N 1 1 310.318 -2.449 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001191773525 781921708 /nfs/dbraw/zinc/92/17/08/781921708.db2.gz XQGWTRXCRQYTPS-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001191773525 781921718 /nfs/dbraw/zinc/92/17/18/781921718.db2.gz XQGWTRXCRQYTPS-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191777831 781922017 /nfs/dbraw/zinc/92/20/17/781922017.db2.gz QXCXHFZIZHHPQP-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC000668262370 545641554 /nfs/dbraw/zinc/64/15/54/545641554.db2.gz NWBOMFBYPNABPH-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191745616 781922361 /nfs/dbraw/zinc/92/23/61/781922361.db2.gz VPWLKZKKJXNRLL-JHJVBQTASA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191745616 781922368 /nfs/dbraw/zinc/92/23/68/781922368.db2.gz VPWLKZKKJXNRLL-JHJVBQTASA-N 1 1 311.382 -1.147 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000668373902 545645653 /nfs/dbraw/zinc/64/56/53/545645653.db2.gz NCEDEPBPDWLBCK-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCNC(=O)C1 ZINC000029597481 545646676 /nfs/dbraw/zinc/64/66/76/545646676.db2.gz UDQMKOVLAJCJEH-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)o2)[C@@H]2NCN[C@H]21 ZINC001191733628 781923976 /nfs/dbraw/zinc/92/39/76/781923976.db2.gz UYMCXGBIGMJBGM-XVMARJQXSA-N 1 1 317.147 -1.430 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001191784972 781924358 /nfs/dbraw/zinc/92/43/58/781924358.db2.gz MOEHVVNKBKQUAT-HZSPNIEDSA-N 1 1 324.425 -1.232 20 0 DAADMO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191785971 781924846 /nfs/dbraw/zinc/92/48/46/781924846.db2.gz WZYWFRJOYOSOAS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2nccnn2)CC1 ZINC000625645211 545653381 /nfs/dbraw/zinc/65/33/81/545653381.db2.gz LMAZUUKQOBDTGP-ZDUSSCGKSA-N 1 1 310.402 -1.067 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000668529699 545655112 /nfs/dbraw/zinc/65/51/12/545655112.db2.gz QLAIBEDFTCLWLW-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000668559000 545655431 /nfs/dbraw/zinc/65/54/31/545655431.db2.gz YOQCSHDOMJXKCH-UHFFFAOYSA-N 1 1 322.431 -1.437 20 0 DAADMO COC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596361 545655685 /nfs/dbraw/zinc/65/56/85/545655685.db2.gz AOEIGEFVKOSTQG-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781677 781926132 /nfs/dbraw/zinc/92/61/32/781926132.db2.gz SIQOWYQTVBIFRE-ZJUUUORDSA-N 1 1 309.374 -1.167 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823059 781926857 /nfs/dbraw/zinc/92/68/57/781926857.db2.gz IYITYXAGKLUAQB-IVZWLZJFSA-N 1 1 311.342 -2.159 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823059 781926867 /nfs/dbraw/zinc/92/68/67/781926867.db2.gz IYITYXAGKLUAQB-IVZWLZJFSA-N 1 1 311.342 -2.159 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000648330049 545664097 /nfs/dbraw/zinc/66/40/97/545664097.db2.gz LGRCUAVTANUEFC-HBNTYKKESA-N 1 1 305.400 -1.144 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000648330049 545664101 /nfs/dbraw/zinc/66/41/01/545664101.db2.gz LGRCUAVTANUEFC-HBNTYKKESA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000407998835 545665785 /nfs/dbraw/zinc/66/57/85/545665785.db2.gz ROZMTBNPWUNVHM-JTQLQIEISA-N 1 1 306.388 -2.075 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000407998835 545665789 /nfs/dbraw/zinc/66/57/89/545665789.db2.gz ROZMTBNPWUNVHM-JTQLQIEISA-N 1 1 306.388 -2.075 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001191863670 781927274 /nfs/dbraw/zinc/92/72/74/781927274.db2.gz HHDCPTCWRWVKLH-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CN1CCN(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000408019507 545667359 /nfs/dbraw/zinc/66/73/59/545667359.db2.gz AWPKIKXPFRSNAB-UHFFFAOYSA-N 1 1 320.459 -1.133 20 0 DAADMO NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408034626 545669870 /nfs/dbraw/zinc/66/98/70/545669870.db2.gz GXXKIMBNCLHVFF-WDEREUQCSA-N 1 1 302.400 -1.734 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191832990 781928087 /nfs/dbraw/zinc/92/80/87/781928087.db2.gz LWVZXRBKHQSTEV-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001191865174 781928210 /nfs/dbraw/zinc/92/82/10/781928210.db2.gz SDPOYXVGSCTBSY-JHJVBQTASA-N 1 1 313.354 -1.306 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC000602970083 545683012 /nfs/dbraw/zinc/68/30/12/545683012.db2.gz RJFSOHFAEMFRNO-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000408303361 545685537 /nfs/dbraw/zinc/68/55/37/545685537.db2.gz OKMBHHJMDBTKTE-UHFFFAOYSA-N 1 1 313.445 -1.157 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCO1 ZINC000342667375 545694395 /nfs/dbraw/zinc/69/43/95/545694395.db2.gz NXWPGULSWWUPGV-LBPRGKRZSA-N 1 1 317.386 -1.398 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)no1 ZINC001191842529 781929227 /nfs/dbraw/zinc/92/92/27/781929227.db2.gz HCPZKNFLRINPJU-CHWSQXEVSA-N 1 1 313.354 -1.304 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)no1 ZINC001191842529 781929234 /nfs/dbraw/zinc/92/92/34/781929234.db2.gz HCPZKNFLRINPJU-CHWSQXEVSA-N 1 1 313.354 -1.304 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001191907492 781929710 /nfs/dbraw/zinc/92/97/10/781929710.db2.gz SGPIOJYFVDKURG-BFHYXJOUSA-N 1 1 316.398 -1.028 20 0 DAADMO CC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@@H+]1C[C@H](C)O ZINC000331250754 545702394 /nfs/dbraw/zinc/70/23/94/545702394.db2.gz SKSVKKNJWRSWLT-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@H+]1C[C@H](C)O ZINC000331250754 545702401 /nfs/dbraw/zinc/70/24/01/545702401.db2.gz SKSVKKNJWRSWLT-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331274434 545702576 /nfs/dbraw/zinc/70/25/76/545702576.db2.gz NHRNWLSCKHJVCR-UHFFFAOYSA-N 1 1 306.432 -1.322 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302661 545704755 /nfs/dbraw/zinc/70/47/55/545704755.db2.gz SHSQCMGVBXCJBX-MELADBBJSA-N 1 1 315.414 -1.503 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000343904030 545710157 /nfs/dbraw/zinc/71/01/57/545710157.db2.gz DGGCKSVCYHIPNP-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001191935575 781931833 /nfs/dbraw/zinc/93/18/33/781931833.db2.gz FMZHLQAQTGQSAU-QJPTWQEYSA-N 1 1 312.370 -1.191 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CCOCC1=O ZINC000344417057 545712002 /nfs/dbraw/zinc/71/20/02/545712002.db2.gz WEAFXFLQHTZZIV-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001191921335 781932233 /nfs/dbraw/zinc/93/22/33/781932233.db2.gz AKUQSBYFAFSMGX-SNVBAGLBSA-N 1 1 309.326 -1.055 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001191921335 781932241 /nfs/dbraw/zinc/93/22/41/781932241.db2.gz AKUQSBYFAFSMGX-SNVBAGLBSA-N 1 1 309.326 -1.055 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCN1C(=O)CNC1=O ZINC000347127956 545714619 /nfs/dbraw/zinc/71/46/19/545714619.db2.gz HICUHZKXMVCNQV-UHFFFAOYSA-N 1 1 301.347 -1.848 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347309283 545717842 /nfs/dbraw/zinc/71/78/42/545717842.db2.gz KWUXEASHUXLKQW-QWRGUYRKSA-N 1 1 301.387 -1.165 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2=O)cn1 ZINC000081419239 192260733 /nfs/dbraw/zinc/26/07/33/192260733.db2.gz SFGBKTWHYBXNCD-VXGBXAGGSA-N 1 1 307.354 -1.028 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2=O)cn1 ZINC000081419239 192260735 /nfs/dbraw/zinc/26/07/35/192260735.db2.gz SFGBKTWHYBXNCD-VXGBXAGGSA-N 1 1 307.354 -1.028 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2=O)cn1 ZINC000081419236 192260791 /nfs/dbraw/zinc/26/07/91/192260791.db2.gz SFGBKTWHYBXNCD-RYUDHWBXSA-N 1 1 307.354 -1.028 20 0 DAADMO Cn1cc(N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2=O)cn1 ZINC000081419236 192260793 /nfs/dbraw/zinc/26/07/93/192260793.db2.gz SFGBKTWHYBXNCD-RYUDHWBXSA-N 1 1 307.354 -1.028 20 0 DAADMO CN(C)C(=O)CCN1CC[N@@H+](CCC(=O)N(C)C)CC(O)C1 ZINC000332053544 545728493 /nfs/dbraw/zinc/72/84/93/545728493.db2.gz WQTNNPBTWRSBPD-UHFFFAOYSA-N 1 1 314.430 -1.079 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@@H]2NCN[C@H]21 ZINC001191973546 781935644 /nfs/dbraw/zinc/93/56/44/781935644.db2.gz SOIISYIKYIOBHC-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COC(=O)COCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352940761 545736516 /nfs/dbraw/zinc/73/65/16/545736516.db2.gz NEPCKVBWURCZET-NSHDSACASA-N 1 1 315.370 -1.120 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000358114356 545739673 /nfs/dbraw/zinc/73/96/73/545739673.db2.gz UMLUNYWJKPUUGR-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995789 781936695 /nfs/dbraw/zinc/93/66/95/781936695.db2.gz UCQVVIGQGFRYOJ-GMTAPVOTSA-N 1 1 314.386 -1.722 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000339806803 545742491 /nfs/dbraw/zinc/74/24/91/545742491.db2.gz CETKSCFFQNUCHS-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCN2CCOCC2)C1 ZINC000339806803 545742494 /nfs/dbraw/zinc/74/24/94/545742494.db2.gz CETKSCFFQNUCHS-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995789 781936700 /nfs/dbraw/zinc/93/67/00/781936700.db2.gz UCQVVIGQGFRYOJ-GMTAPVOTSA-N 1 1 314.386 -1.722 20 0 DAADMO NS(=O)(=O)N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367646241 545748410 /nfs/dbraw/zinc/74/84/10/545748410.db2.gz QJCVFTBZTKCEMH-TXEJJXNPSA-N 1 1 304.416 -1.329 20 0 DAADMO NS(=O)(=O)N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367646241 545748417 /nfs/dbraw/zinc/74/84/17/545748417.db2.gz QJCVFTBZTKCEMH-TXEJJXNPSA-N 1 1 304.416 -1.329 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000368570527 545749321 /nfs/dbraw/zinc/74/93/21/545749321.db2.gz VSFQDXLYFMAOCH-QWHCGFSZSA-N 1 1 321.443 -1.307 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001191980010 781937755 /nfs/dbraw/zinc/93/77/55/781937755.db2.gz ZGJKCJPJHZPOIS-GMTAPVOTSA-N 1 1 312.370 -2.061 20 0 DAADMO Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001191978466 781937813 /nfs/dbraw/zinc/93/78/13/781937813.db2.gz KPDLRSNTINEGGP-NXEZZACHSA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001191978466 781937820 /nfs/dbraw/zinc/93/78/20/781937820.db2.gz KPDLRSNTINEGGP-NXEZZACHSA-N 1 1 311.342 -1.653 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001192014736 781938413 /nfs/dbraw/zinc/93/84/13/781938413.db2.gz SYOBMTSPDIVTRH-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979117 781939148 /nfs/dbraw/zinc/93/91/48/781939148.db2.gz QLNVJTPSYIJGJC-GMTAPVOTSA-N 1 1 319.358 -2.953 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001191979721 781939414 /nfs/dbraw/zinc/93/94/14/781939414.db2.gz URYSHKLNQLMUSM-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001191979721 781939422 /nfs/dbraw/zinc/93/94/22/781939422.db2.gz URYSHKLNQLMUSM-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073068 781940866 /nfs/dbraw/zinc/94/08/66/781940866.db2.gz OSPJOTQSEKAKRC-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038457 781940160 /nfs/dbraw/zinc/94/01/60/781940160.db2.gz QNDFPAYDYSJEEL-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038457 781940171 /nfs/dbraw/zinc/94/01/71/781940171.db2.gz QNDFPAYDYSJEEL-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037929 781940403 /nfs/dbraw/zinc/94/04/03/781940403.db2.gz MERAPAAFKNLDDA-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039368 781941198 /nfs/dbraw/zinc/94/11/98/781941198.db2.gz YEEDTOFFJQNLTN-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039368 781941202 /nfs/dbraw/zinc/94/12/02/781941202.db2.gz YEEDTOFFJQNLTN-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037930 781941366 /nfs/dbraw/zinc/94/13/66/781941366.db2.gz MERAPAAFKNLDDA-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037599 781941725 /nfs/dbraw/zinc/94/17/25/781941725.db2.gz JCUIITIXLHKITL-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037504 781941932 /nfs/dbraw/zinc/94/19/32/781941932.db2.gz HFNSTWJYDDKPIF-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001192037504 781941936 /nfs/dbraw/zinc/94/19/36/781941936.db2.gz HFNSTWJYDDKPIF-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+](CC(=O)NCC(F)(F)F)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101409 781942450 /nfs/dbraw/zinc/94/24/50/781942450.db2.gz CNHZHURUBYVTAY-ZETCQYMHSA-N 1 1 310.276 -1.317 20 0 DAADMO C[N@@H+](CC(=O)NCC(F)(F)F)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101409 781942459 /nfs/dbraw/zinc/94/24/59/781942459.db2.gz CNHZHURUBYVTAY-ZETCQYMHSA-N 1 1 310.276 -1.317 20 0 DAADMO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101633 781942976 /nfs/dbraw/zinc/94/29/76/781942976.db2.gz FLMJEGCDVSAAJK-SECBINFHSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101633 781942983 /nfs/dbraw/zinc/94/29/83/781942983.db2.gz FLMJEGCDVSAAJK-SECBINFHSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(=O)NC1CCOCC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101684 781943030 /nfs/dbraw/zinc/94/30/30/781943030.db2.gz GORJMEMBOCSVOE-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC1CCOCC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101684 781943036 /nfs/dbraw/zinc/94/30/36/781943036.db2.gz GORJMEMBOCSVOE-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082403 781943461 /nfs/dbraw/zinc/94/34/61/781943461.db2.gz HCCSIZXSCNQEFO-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082403 781943469 /nfs/dbraw/zinc/94/34/69/781943469.db2.gz HCCSIZXSCNQEFO-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCOC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081901 781943599 /nfs/dbraw/zinc/94/35/99/781943599.db2.gz AJXUQLRZJQDOCA-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCOC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081901 781943606 /nfs/dbraw/zinc/94/36/06/781943606.db2.gz AJXUQLRZJQDOCA-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102108 781945540 /nfs/dbraw/zinc/94/55/40/781945540.db2.gz MPLXOKRHNAVQJK-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102108 781945547 /nfs/dbraw/zinc/94/55/47/781945547.db2.gz MPLXOKRHNAVQJK-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001192102929 781945672 /nfs/dbraw/zinc/94/56/72/781945672.db2.gz WMSQZSCVPADJDH-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001192102929 781945677 /nfs/dbraw/zinc/94/56/77/781945677.db2.gz WMSQZSCVPADJDH-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO C[N@H+](CC(=O)NCc1ccco1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192103002 781946612 /nfs/dbraw/zinc/94/66/12/781946612.db2.gz WYZSOLOQSSMHJX-SNVBAGLBSA-N 1 1 308.338 -1.086 20 0 DAADMO C[N@@H+](CC(=O)NCc1ccco1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192103002 781946619 /nfs/dbraw/zinc/94/66/19/781946619.db2.gz WYZSOLOQSSMHJX-SNVBAGLBSA-N 1 1 308.338 -1.086 20 0 DAADMO C[N@H+](CC(=O)NCc1ccco1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102999 781946953 /nfs/dbraw/zinc/94/69/53/781946953.db2.gz WYZSOLOQSSMHJX-JTQLQIEISA-N 1 1 308.338 -1.086 20 0 DAADMO C[N@@H+](CC(=O)NCc1ccco1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102999 781946962 /nfs/dbraw/zinc/94/69/62/781946962.db2.gz WYZSOLOQSSMHJX-JTQLQIEISA-N 1 1 308.338 -1.086 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102276 781947179 /nfs/dbraw/zinc/94/71/79/781947179.db2.gz PLNGEGURENWCEC-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102276 781947183 /nfs/dbraw/zinc/94/71/83/781947183.db2.gz PLNGEGURENWCEC-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738843 545753549 /nfs/dbraw/zinc/75/35/49/545753549.db2.gz SZYFHAKDRVKQPQ-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]c1=O ZINC001192153329 781948267 /nfs/dbraw/zinc/94/82/67/781948267.db2.gz OVGBYQSJUYABGI-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]c1=O ZINC001192153329 781948274 /nfs/dbraw/zinc/94/82/74/781948274.db2.gz OVGBYQSJUYABGI-MRVPVSSYSA-N 1 1 324.341 -1.533 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001192164164 781949325 /nfs/dbraw/zinc/94/93/25/781949325.db2.gz HSZXANGTCSORCY-QJPTWQEYSA-N 1 1 311.338 -1.431 20 0 DAADMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000375738843 545753562 /nfs/dbraw/zinc/75/35/62/545753562.db2.gz SZYFHAKDRVKQPQ-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(Cc1cccnc1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192223501 781950669 /nfs/dbraw/zinc/95/06/69/781950669.db2.gz UNJBACVICNOUCR-ZIAGYGMSSA-N 1 1 309.366 -1.206 20 0 DAADMO O=C(Cc1cccnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192223501 781950681 /nfs/dbraw/zinc/95/06/81/781950681.db2.gz UNJBACVICNOUCR-ZIAGYGMSSA-N 1 1 309.366 -1.206 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)ncn1 ZINC001192230822 781951081 /nfs/dbraw/zinc/95/10/81/781951081.db2.gz SVPXLKJRMXQMOU-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)ncn1 ZINC001192230822 781951087 /nfs/dbraw/zinc/95/10/87/781951087.db2.gz SVPXLKJRMXQMOU-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCCO1 ZINC001192214210 781951424 /nfs/dbraw/zinc/95/14/24/781951424.db2.gz LHJKAXJMTTZLBH-JHJVBQTASA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCCO1 ZINC001192214210 781951433 /nfs/dbraw/zinc/95/14/33/781951433.db2.gz LHJKAXJMTTZLBH-JHJVBQTASA-N 1 1 302.371 -1.274 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192263674 781953766 /nfs/dbraw/zinc/95/37/66/781953766.db2.gz YGJOLHDUYPQTJC-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC000377476408 545755652 /nfs/dbraw/zinc/75/56/52/545755652.db2.gz YLSCJQIDIVIRRG-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001192364917 781956923 /nfs/dbraw/zinc/95/69/23/781956923.db2.gz ZKDGUXNTQYCGKJ-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001192364917 781956930 /nfs/dbraw/zinc/95/69/30/781956930.db2.gz ZKDGUXNTQYCGKJ-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192362673 781957238 /nfs/dbraw/zinc/95/72/38/781957238.db2.gz FKKHLHDGEZZEKP-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192364660 781957828 /nfs/dbraw/zinc/95/78/28/781957828.db2.gz SGAJOBAXJXVJET-HBNTYKKESA-N 1 1 303.359 -2.319 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)C1=O ZINC000377569009 545758578 /nfs/dbraw/zinc/75/85/78/545758578.db2.gz UXUNMMDPTXYEJG-LURJTMIESA-N 1 1 304.253 -1.528 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc(OC)n1 ZINC001192428128 781959251 /nfs/dbraw/zinc/95/92/51/781959251.db2.gz PUXLLHGPJDAVRT-WOPDTQHZSA-N 1 1 308.342 -1.769 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001192420674 781959881 /nfs/dbraw/zinc/95/98/81/781959881.db2.gz VQYCGAIAAPUEEG-QJPTWQEYSA-N 1 1 318.370 -1.692 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)S(N)(=O)=O ZINC000669650718 545770334 /nfs/dbraw/zinc/77/03/34/545770334.db2.gz WOSGOIQMARSJQW-JTQLQIEISA-N 1 1 310.420 -1.069 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000443518455 545778659 /nfs/dbraw/zinc/77/86/59/545778659.db2.gz GIQBRYDKJMOYFF-NXEZZACHSA-N 1 1 308.404 -1.317 20 0 DAADMO CCOC(=O)C[C@@H](O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600234907 372764796 /nfs/dbraw/zinc/76/47/96/372764796.db2.gz XKVJZGQYQJMKKX-WDEREUQCSA-N 1 1 315.370 -1.244 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H](C)C[N@H+]1CCO ZINC000616340998 372764821 /nfs/dbraw/zinc/76/48/21/372764821.db2.gz KGYDIXRSQWCUGD-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157059 372792402 /nfs/dbraw/zinc/79/24/02/372792402.db2.gz MDOGFIILCGRJIR-ONGXEEELSA-N 1 1 311.386 -1.016 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@H]1C[NH2+]C[C@@H]1O ZINC000643591789 372769005 /nfs/dbraw/zinc/76/90/05/372769005.db2.gz LCENIHVJSPAEOZ-HEHGZKQESA-N 1 1 324.425 -1.278 20 0 DAADMO CNC(=O)NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157680 372794913 /nfs/dbraw/zinc/79/49/13/372794913.db2.gz OMZXEDYQWXNWRL-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)S(=O)(=O)CCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000383822142 372782146 /nfs/dbraw/zinc/78/21/46/372782146.db2.gz QZWCMPNONIDZDT-NSHDSACASA-N 1 1 306.432 -1.335 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642724547 372787626 /nfs/dbraw/zinc/78/76/26/372787626.db2.gz VNSVBMYJBAVBDA-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2ncn(C)c2=O)[C@@H](C)C1 ZINC000556745053 372806123 /nfs/dbraw/zinc/80/61/23/372806123.db2.gz XARYNKHGELPEGB-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703133 372806144 /nfs/dbraw/zinc/80/61/44/372806144.db2.gz PYYANONESVDPPF-HBNTYKKESA-N 1 1 306.370 -1.512 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000557241990 372810867 /nfs/dbraw/zinc/81/08/67/372810867.db2.gz TVYGPABVITXYCT-IHRRRGAJSA-N 1 1 313.446 -1.014 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000557241992 372812585 /nfs/dbraw/zinc/81/25/85/372812585.db2.gz TVYGPABVITXYCT-RDBSUJKOSA-N 1 1 313.446 -1.014 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000557463708 372814996 /nfs/dbraw/zinc/81/49/96/372814996.db2.gz LUKWIKXNDQVMBJ-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CNC(=O)NC[C@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000625733428 372831860 /nfs/dbraw/zinc/83/18/60/372831860.db2.gz DWWSQGIFCKBQPK-STQMWFEESA-N 1 1 318.418 -1.445 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000600499077 372841626 /nfs/dbraw/zinc/84/16/26/372841626.db2.gz OVBMRBBWJOFPIR-JTQLQIEISA-N 1 1 301.343 -1.497 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000600499077 372841639 /nfs/dbraw/zinc/84/16/39/372841639.db2.gz OVBMRBBWJOFPIR-JTQLQIEISA-N 1 1 301.343 -1.497 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCC(=O)NCCC(=O)OC)C1 ZINC000600499339 372842664 /nfs/dbraw/zinc/84/26/64/372842664.db2.gz PYGCZDVEKCEDOC-NSHDSACASA-N 1 1 315.370 -1.107 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCC(=O)NCCC(=O)OC)C1 ZINC000600499339 372842667 /nfs/dbraw/zinc/84/26/67/372842667.db2.gz PYGCZDVEKCEDOC-NSHDSACASA-N 1 1 315.370 -1.107 20 0 DAADMO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278920841 372846623 /nfs/dbraw/zinc/84/66/23/372846623.db2.gz WPORTLOQPJPXTH-WQAKAFBOSA-N 1 1 306.318 -1.319 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000600945607 372847546 /nfs/dbraw/zinc/84/75/46/372847546.db2.gz DQRFHJAGIUKQON-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H](O)CC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000075776937 372864697 /nfs/dbraw/zinc/86/46/97/372864697.db2.gz BAZWVJCKJAJIKQ-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO NC(=O)c1cccnc1N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000262675481 372866910 /nfs/dbraw/zinc/86/69/10/372866910.db2.gz RRBFVDIKJYWSGR-GFCCVEGCSA-N 1 1 319.365 -1.183 20 0 DAADMO CCN1CCN(CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000574768114 372870497 /nfs/dbraw/zinc/87/04/97/372870497.db2.gz IYDLIBMAXVSOED-ZDUSSCGKSA-N 1 1 313.446 -1.194 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408316162 372872438 /nfs/dbraw/zinc/87/24/38/372872438.db2.gz ABKIGGWLJXKKKO-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408316162 372872441 /nfs/dbraw/zinc/87/24/41/372872441.db2.gz ABKIGGWLJXKKKO-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000408436584 372876524 /nfs/dbraw/zinc/87/65/24/372876524.db2.gz DVKBMXRLCRQHSF-LLVKDONJSA-N 1 1 320.415 -2.250 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000408436584 372876530 /nfs/dbraw/zinc/87/65/30/372876530.db2.gz DVKBMXRLCRQHSF-LLVKDONJSA-N 1 1 320.415 -2.250 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000565075303 372878381 /nfs/dbraw/zinc/87/83/81/372878381.db2.gz FBXGSYYFPBSLKK-LLVKDONJSA-N 1 1 308.404 -2.093 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000626038191 372858034 /nfs/dbraw/zinc/85/80/34/372858034.db2.gz XANRNEOVZGSNQY-AOOOYVTPSA-N 1 1 315.399 -1.106 20 0 DAADMO CN(CC(O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039102 372858902 /nfs/dbraw/zinc/85/89/02/372858902.db2.gz PLYFKRAWSCMAHH-HUVAQWKNSA-N 1 1 312.414 -1.261 20 0 DAADMO C[C@H]1C[N@H+](CCN2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC000626097701 372862163 /nfs/dbraw/zinc/86/21/63/372862163.db2.gz XPHBSPAABSXHTK-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@H]1C[N@@H+](CCN2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC000626097701 372862169 /nfs/dbraw/zinc/86/21/69/372862169.db2.gz XPHBSPAABSXHTK-STQMWFEESA-N 1 1 321.443 -1.043 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000622631318 372888001 /nfs/dbraw/zinc/88/80/01/372888001.db2.gz KXNSJSNVNKUMIF-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO CN(CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC000622631051 372888143 /nfs/dbraw/zinc/88/81/43/372888143.db2.gz FKGDPKWGRPSGIL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CC(=O)NC[C@H]1CCCC[N@H+]1CCO)S(C)(=O)=O ZINC000622630584 372888310 /nfs/dbraw/zinc/88/83/10/372888310.db2.gz UAXFMAOFPLFFJY-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(=O)n(C)c1=O ZINC000626138602 372888913 /nfs/dbraw/zinc/88/89/13/372888913.db2.gz BQEVGNZHBKDURN-YGOYTEALSA-N 1 1 322.365 -1.306 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(=O)n(C)c1=O ZINC000626138602 372888920 /nfs/dbraw/zinc/88/89/20/372888920.db2.gz BQEVGNZHBKDURN-YGOYTEALSA-N 1 1 322.365 -1.306 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631930 372888942 /nfs/dbraw/zinc/88/89/42/372888942.db2.gz ZVVKGLZARFLKGR-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000601066048 372898616 /nfs/dbraw/zinc/89/86/16/372898616.db2.gz FLVICSFMXKUZSN-NEPJUHHUSA-N 1 1 323.415 -1.636 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CC(=O)N(C)C(=O)C1 ZINC000635902388 372900630 /nfs/dbraw/zinc/90/06/30/372900630.db2.gz LFEPCQMJSPORJN-UHFFFAOYSA-N 1 1 315.370 -1.202 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000626132283 372885243 /nfs/dbraw/zinc/88/52/43/372885243.db2.gz ALMZEGZFZNKWJW-UHFFFAOYSA-N 1 1 320.353 -1.037 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631932 372887106 /nfs/dbraw/zinc/88/71/06/372887106.db2.gz ZVVKGLZARFLKGR-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@@H+]1CCCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000580081891 372924374 /nfs/dbraw/zinc/92/43/74/372924374.db2.gz HUEPRUDVUPYTFY-UHFFFAOYSA-N 1 1 305.400 -1.012 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000580081891 372924384 /nfs/dbraw/zinc/92/43/84/372924384.db2.gz HUEPRUDVUPYTFY-UHFFFAOYSA-N 1 1 305.400 -1.012 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000569733190 372904263 /nfs/dbraw/zinc/90/42/63/372904263.db2.gz HHEXIENKWNPDRF-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCC(NS(=O)(=O)NC)CC1 ZINC000569864605 372905506 /nfs/dbraw/zinc/90/55/06/372905506.db2.gz YWHMVDCDDIPKRW-LBPRGKRZSA-N 1 1 308.448 -1.183 20 0 DAADMO O=C(CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)N1CCNC(=O)C1 ZINC000643963231 372911097 /nfs/dbraw/zinc/91/10/97/372911097.db2.gz POIPSFSDAORWHR-XQQFMLRXSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)N1CCNC(=O)C1 ZINC000643963231 372911104 /nfs/dbraw/zinc/91/11/04/372911104.db2.gz POIPSFSDAORWHR-XQQFMLRXSA-N 1 1 310.398 -1.478 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000644041043 372914076 /nfs/dbraw/zinc/91/40/76/372914076.db2.gz YXMIOENKBWPRNC-WOPDTQHZSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000644041043 372914084 /nfs/dbraw/zinc/91/40/84/372914084.db2.gz YXMIOENKBWPRNC-WOPDTQHZSA-N 1 1 301.387 -1.045 20 0 DAADMO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627365690 372916764 /nfs/dbraw/zinc/91/67/64/372916764.db2.gz WTMWLVDOORPLJW-RYUDHWBXSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627365690 372916769 /nfs/dbraw/zinc/91/67/69/372916769.db2.gz WTMWLVDOORPLJW-RYUDHWBXSA-N 1 1 300.403 -1.063 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCn1cnccc1=O ZINC000636315705 372918238 /nfs/dbraw/zinc/91/82/38/372918238.db2.gz NVEDJRBNAVTDHS-UHFFFAOYSA-N 1 1 321.381 -1.134 20 0 DAADMO Cc1nn(CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c(=O)n1C ZINC000636316655 372918937 /nfs/dbraw/zinc/91/89/37/372918937.db2.gz UECAMYOGZINUAQ-UHFFFAOYSA-N 1 1 324.385 -1.877 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CCN(C)CC2)C1 ZINC000636316931 372919132 /nfs/dbraw/zinc/91/91/32/372919132.db2.gz BUUQREKEJCRHJI-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CCN(C)CC2)C1 ZINC000636316931 372919140 /nfs/dbraw/zinc/91/91/40/372919140.db2.gz BUUQREKEJCRHJI-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCn1ncn(C)c1=O ZINC000636316441 372919444 /nfs/dbraw/zinc/91/94/44/372919444.db2.gz WFNORKXHUOYPDV-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCS(C)(=O)=O ZINC000636318470 372919542 /nfs/dbraw/zinc/91/95/42/372919542.db2.gz WPWAQRWNMHIVSY-UHFFFAOYSA-N 1 1 305.400 -1.347 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc2nnnn2c1 ZINC000636317066 372919595 /nfs/dbraw/zinc/91/95/95/372919595.db2.gz IVVMMARENOYOLZ-UHFFFAOYSA-N 1 1 317.353 -1.030 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317714 372920039 /nfs/dbraw/zinc/92/00/39/372920039.db2.gz RYNYXSQSGLVFFD-UHFFFAOYSA-N 1 1 320.415 -1.890 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000536532819 372925941 /nfs/dbraw/zinc/92/59/41/372925941.db2.gz BGCNGOIVKJHLGV-AWEZNQCLSA-N 1 1 323.441 -1.391 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000536532819 372925950 /nfs/dbraw/zinc/92/59/50/372925950.db2.gz BGCNGOIVKJHLGV-AWEZNQCLSA-N 1 1 323.441 -1.391 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000626170761 372927990 /nfs/dbraw/zinc/92/79/90/372927990.db2.gz NUPAMERIWUCNRM-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000626170761 372927996 /nfs/dbraw/zinc/92/79/96/372927996.db2.gz NUPAMERIWUCNRM-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO Cn1cc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2=O)cn1 ZINC000177836580 372932298 /nfs/dbraw/zinc/93/22/98/372932298.db2.gz RSNREFAPOLHRGP-LBPRGKRZSA-N 1 1 307.354 -1.074 20 0 DAADMO Cn1cc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2=O)cn1 ZINC000177836580 372932303 /nfs/dbraw/zinc/93/23/03/372932303.db2.gz RSNREFAPOLHRGP-LBPRGKRZSA-N 1 1 307.354 -1.074 20 0 DAADMO O=C(C[NH+]1CCC(Cn2cncn2)CC1)N1CCNC(=O)C1 ZINC000186232729 372938172 /nfs/dbraw/zinc/93/81/72/372938172.db2.gz SXOMWUYYZRKCSZ-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)Cn1nc2ccccn2c1=O ZINC000183919260 372938312 /nfs/dbraw/zinc/93/83/12/372938312.db2.gz ATFFNHCYSYFONV-UHFFFAOYSA-N 1 1 307.354 -1.074 20 0 DAADMO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166496 372938415 /nfs/dbraw/zinc/93/84/15/372938415.db2.gz FQQZQXUQMJBSBK-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183166496 372938419 /nfs/dbraw/zinc/93/84/19/372938419.db2.gz FQQZQXUQMJBSBK-IVZWLZJFSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC1(CO)CC1 ZINC000186812452 372939675 /nfs/dbraw/zinc/93/96/75/372939675.db2.gz BELRAZRLCWCCAT-SECBINFHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CC1(CO)CC1 ZINC000186812452 372939679 /nfs/dbraw/zinc/93/96/79/372939679.db2.gz BELRAZRLCWCCAT-SECBINFHSA-N 1 1 324.381 -1.058 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000601350390 372939830 /nfs/dbraw/zinc/93/98/30/372939830.db2.gz MCEBEOIQRUQCTR-GFCCVEGCSA-N 1 1 323.401 -1.004 20 0 DAADMO COC(=O)[C@]1(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CCOC1 ZINC000601339569 372939871 /nfs/dbraw/zinc/93/98/71/372939871.db2.gz DLDMZTZEJZVWKJ-LBPRGKRZSA-N 1 1 321.399 -1.163 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CN2CCCNC2=O)CC[N@@H+](C)C1 ZINC000591225453 372953660 /nfs/dbraw/zinc/95/36/60/372953660.db2.gz DTDIJLCEBQYYEN-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[N@@H+]1CCO ZINC000364449581 372947762 /nfs/dbraw/zinc/94/77/62/372947762.db2.gz RURYRPAENZUSQO-LLVKDONJSA-N 1 1 312.370 -1.518 20 0 DAADMO C[C@@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[N@H+]1CCO ZINC000364449581 372947773 /nfs/dbraw/zinc/94/77/73/372947773.db2.gz RURYRPAENZUSQO-LLVKDONJSA-N 1 1 312.370 -1.518 20 0 DAADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C[NH+](C)C ZINC000590545959 372949456 /nfs/dbraw/zinc/94/94/56/372949456.db2.gz WKDUONCPKFZLJO-JTQLQIEISA-N 1 1 301.343 -1.545 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197870 372966591 /nfs/dbraw/zinc/96/65/91/372966591.db2.gz PTNGDGKBPNYRQD-MNOVXSKESA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000592197870 372966600 /nfs/dbraw/zinc/96/66/00/372966600.db2.gz PTNGDGKBPNYRQD-MNOVXSKESA-N 1 1 306.384 -1.122 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000592388488 372968947 /nfs/dbraw/zinc/96/89/47/372968947.db2.gz JJBOEWBXDYYUDV-JTQLQIEISA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cnn(C)c1 ZINC000592388500 372969293 /nfs/dbraw/zinc/96/92/93/372969293.db2.gz JJBOEWBXDYYUDV-SNVBAGLBSA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccnn1C ZINC000592388606 372969410 /nfs/dbraw/zinc/96/94/10/372969410.db2.gz LWGLHTNHHBIODG-SECBINFHSA-N 1 1 302.356 -1.054 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000636664296 372971969 /nfs/dbraw/zinc/97/19/69/372971969.db2.gz RMVHDMIAVOTVNY-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO COC(=O)[C@H]1CNCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000592557235 372973901 /nfs/dbraw/zinc/97/39/01/372973901.db2.gz XBSPETJZXWNSBB-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CN2CCCNC2=O)CC[N@@H+](C)C1 ZINC000591225452 372954186 /nfs/dbraw/zinc/95/41/86/372954186.db2.gz DTDIJLCEBQYYEN-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1COCCN1C ZINC000636643723 372954346 /nfs/dbraw/zinc/95/43/46/372954346.db2.gz XOIVHSPBBHCHNK-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CC[N@@H+](C)C1 ZINC000594368505 372991884 /nfs/dbraw/zinc/99/18/84/372991884.db2.gz BVMGMIVQHAEPJD-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1CCCS1(=O)=O ZINC000594444240 372992114 /nfs/dbraw/zinc/99/21/14/372992114.db2.gz MOYJRDTXDXNCEY-NXEZZACHSA-N 1 1 304.368 -1.073 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000595453155 373000108 /nfs/dbraw/zinc/00/01/08/373000108.db2.gz DLAJWDCBVFSSED-YGRLFVJLSA-N 1 1 313.354 -1.537 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](CO)[C@@H](O)C2)C1=O ZINC000595453788 373000629 /nfs/dbraw/zinc/00/06/29/373000629.db2.gz HAMDNGWMNJCBIG-SRVKXCTJSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000595453152 373000994 /nfs/dbraw/zinc/00/09/94/373000994.db2.gz DLAJWDCBVFSSED-HZMBPMFUSA-N 1 1 313.354 -1.537 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987653 /nfs/dbraw/zinc/98/76/53/372987653.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987657 /nfs/dbraw/zinc/98/76/57/372987657.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016455 372987662 /nfs/dbraw/zinc/98/76/62/372987662.db2.gz XMKYRKYXQPJPAL-AVGNSLFASA-N 1 1 304.387 -1.219 20 0 DAADMO COC(=O)Cn1cc(CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC000594025810 372987956 /nfs/dbraw/zinc/98/79/56/372987956.db2.gz RJDVPLBWBUYXRK-QWHCGFSZSA-N 1 1 309.370 -1.256 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CCCNC1=O ZINC000593892439 372988414 /nfs/dbraw/zinc/98/84/14/372988414.db2.gz QSNASUKCMQJUMN-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO COC(=O)COCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000597770751 373026205 /nfs/dbraw/zinc/02/62/05/373026205.db2.gz AAROGMNNSLQMTI-JTQLQIEISA-N 1 1 302.327 -1.261 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+](C)C1 ZINC000597771693 373026787 /nfs/dbraw/zinc/02/67/87/373026787.db2.gz JFKOLGSVALGBQR-SNVBAGLBSA-N 1 1 322.369 -1.472 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+](C)C1 ZINC000597771693 373026794 /nfs/dbraw/zinc/02/67/94/373026794.db2.gz JFKOLGSVALGBQR-SNVBAGLBSA-N 1 1 322.369 -1.472 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[N@H+](C)C1 ZINC000597775088 373027235 /nfs/dbraw/zinc/02/72/35/373027235.db2.gz QLKMCXFXJOFDCT-JTQLQIEISA-N 1 1 308.342 -1.275 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C2(n3cnnn3)CC2)CC[N@@H+](C)C1 ZINC000597775088 373027244 /nfs/dbraw/zinc/02/72/44/373027244.db2.gz QLKMCXFXJOFDCT-JTQLQIEISA-N 1 1 308.342 -1.275 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598790652 373031954 /nfs/dbraw/zinc/03/19/54/373031954.db2.gz DRMCUFIHUJCMMV-NXEZZACHSA-N 1 1 321.399 -1.513 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000598791552 373032572 /nfs/dbraw/zinc/03/25/72/373032572.db2.gz BAYONWBABQVUMW-SECBINFHSA-N 1 1 307.372 -1.901 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000598791552 373032582 /nfs/dbraw/zinc/03/25/82/373032582.db2.gz BAYONWBABQVUMW-SECBINFHSA-N 1 1 307.372 -1.901 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@H+](C)C1 ZINC000598792219 373033004 /nfs/dbraw/zinc/03/30/04/373033004.db2.gz IAFKKYMCHLQUEO-JTQLQIEISA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC000598792219 373033007 /nfs/dbraw/zinc/03/30/07/373033007.db2.gz IAFKKYMCHLQUEO-JTQLQIEISA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)c1cn([C@@H]2CCCN(c3nc(N)nc(N)[nH+]3)C2)nn1 ZINC000599065948 373035141 /nfs/dbraw/zinc/03/51/41/373035141.db2.gz NPBRHSWWRLSBPJ-SSDOTTSWSA-N 1 1 319.329 -1.084 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000601754643 373058592 /nfs/dbraw/zinc/05/85/92/373058592.db2.gz SRVPXHDNUYOZDR-GUBZILKMSA-N 1 1 301.343 -1.501 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000601754643 373058593 /nfs/dbraw/zinc/05/85/93/373058593.db2.gz SRVPXHDNUYOZDR-GUBZILKMSA-N 1 1 301.343 -1.501 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636709000 373060443 /nfs/dbraw/zinc/06/04/43/373060443.db2.gz IJAMCMUYVICJRX-UHFFFAOYSA-N 1 1 308.404 -1.492 20 0 DAADMO COCCCNC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179832 373060683 /nfs/dbraw/zinc/06/06/83/373060683.db2.gz CEBPWIYJFMAVFR-LBPRGKRZSA-N 1 1 300.403 -1.074 20 0 DAADMO COCCCNC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179834 373061082 /nfs/dbraw/zinc/06/10/82/373061082.db2.gz CEBPWIYJFMAVFR-GFCCVEGCSA-N 1 1 300.403 -1.074 20 0 DAADMO COC(=O)COCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000602362535 373062452 /nfs/dbraw/zinc/06/24/52/373062452.db2.gz ZKRKXUYASSWYPC-LLVKDONJSA-N 1 1 301.343 -1.364 20 0 DAADMO COC(=O)COCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000602362535 373062464 /nfs/dbraw/zinc/06/24/64/373062464.db2.gz ZKRKXUYASSWYPC-LLVKDONJSA-N 1 1 301.343 -1.364 20 0 DAADMO Nc1nc(N)[nH+]c(NCc2ccc(N3CCOCC3)nc2)n1 ZINC000623828019 373066478 /nfs/dbraw/zinc/06/64/78/373066478.db2.gz GKPRNJVXVGUQGO-UHFFFAOYSA-N 1 1 302.342 -1.038 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000051534771 373066706 /nfs/dbraw/zinc/06/67/06/373066706.db2.gz SNQKJYIETMFMDQ-UHFFFAOYSA-N 1 1 306.388 -1.201 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989524 373066841 /nfs/dbraw/zinc/06/68/41/373066841.db2.gz RQBZDSIRNKMIKU-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000599306845 373040715 /nfs/dbraw/zinc/04/07/15/373040715.db2.gz LYBXOUWSPJXNBD-CHWSQXEVSA-N 1 1 304.387 -1.075 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599389327 373041778 /nfs/dbraw/zinc/04/17/78/373041778.db2.gz KVIDSUZAZKCMRX-NSHDSACASA-N 1 1 310.354 -1.139 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)NCC[NH+]1CCSCC1 ZINC000603603359 373068399 /nfs/dbraw/zinc/06/83/99/373068399.db2.gz GXZCYLJKDJITLZ-UHFFFAOYSA-N 1 1 315.399 -1.114 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000599562920 373046273 /nfs/dbraw/zinc/04/62/73/373046273.db2.gz JZQBCLSJPDWEDB-AWEZNQCLSA-N 1 1 311.338 -1.152 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000599562920 373046279 /nfs/dbraw/zinc/04/62/79/373046279.db2.gz JZQBCLSJPDWEDB-AWEZNQCLSA-N 1 1 311.338 -1.152 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622742 373047104 /nfs/dbraw/zinc/04/71/04/373047104.db2.gz IYJIOAYIYQRJBR-OKILXGFUSA-N 1 1 302.371 -1.022 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000599570292 373047484 /nfs/dbraw/zinc/04/74/84/373047484.db2.gz WEJGESZNLVVKMC-GXTWGEPZSA-N 1 1 302.371 -1.057 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(CC(=O)N3CCNC(=O)C3)CC2)C1 ZINC000604389998 373074365 /nfs/dbraw/zinc/07/43/65/373074365.db2.gz NLTSEPFWYHCITQ-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000604725008 373078253 /nfs/dbraw/zinc/07/82/53/373078253.db2.gz TTZXXIMHSVRIFI-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000604725008 373078260 /nfs/dbraw/zinc/07/82/60/373078260.db2.gz TTZXXIMHSVRIFI-NSHDSACASA-N 1 1 310.354 -1.616 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000609487534 373078381 /nfs/dbraw/zinc/07/83/81/373078381.db2.gz KYDUUMFBSSUWRZ-JTQLQIEISA-N 1 1 321.399 -1.321 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000637105890 373080313 /nfs/dbraw/zinc/08/03/13/373080313.db2.gz PKGOPQFBKQVXHS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000637105627 373080413 /nfs/dbraw/zinc/08/04/13/373080413.db2.gz NUKULLLTBGFCEM-RDBSUJKOSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2COCCN2C)CC1 ZINC000637108115 373080462 /nfs/dbraw/zinc/08/04/62/373080462.db2.gz NDABUXWRCDUJKO-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000637105893 373080594 /nfs/dbraw/zinc/08/05/94/373080594.db2.gz PKGOPQFBKQVXHS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000637106283 373080615 /nfs/dbraw/zinc/08/06/15/373080615.db2.gz RTPKXRGVWYJDNC-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000637105625 373080749 /nfs/dbraw/zinc/08/07/49/373080749.db2.gz NUKULLLTBGFCEM-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@H](O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000338631590 373117446 /nfs/dbraw/zinc/11/74/46/373117446.db2.gz CXVVCDZUDJMBPT-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336797645 373092018 /nfs/dbraw/zinc/09/20/18/373092018.db2.gz BAROCUFVBQXHIR-JTQLQIEISA-N 1 1 313.445 -1.074 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336797645 373092024 /nfs/dbraw/zinc/09/20/24/373092024.db2.gz BAROCUFVBQXHIR-JTQLQIEISA-N 1 1 313.445 -1.074 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)OC ZINC000320033685 373092761 /nfs/dbraw/zinc/09/27/61/373092761.db2.gz LFXGYTDGFLYGRR-PXWWUCIGSA-N 1 1 315.370 -1.388 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(=O)OC ZINC000320033685 373092767 /nfs/dbraw/zinc/09/27/67/373092767.db2.gz LFXGYTDGFLYGRR-PXWWUCIGSA-N 1 1 315.370 -1.388 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336833898 373092846 /nfs/dbraw/zinc/09/28/46/373092846.db2.gz HETNCMVXBBWDNB-GFCCVEGCSA-N 1 1 309.432 -1.497 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336833898 373092848 /nfs/dbraw/zinc/09/28/48/373092848.db2.gz HETNCMVXBBWDNB-GFCCVEGCSA-N 1 1 309.432 -1.497 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CCC[C@H]1CO)S(C)(=O)=O ZINC000337654202 373103762 /nfs/dbraw/zinc/10/37/62/373103762.db2.gz GQXSFXNZCCSSBE-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000112201945 373111252 /nfs/dbraw/zinc/11/12/52/373111252.db2.gz FVTCDIZLIHBAJH-CQSZACIVSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000338531880 373116094 /nfs/dbraw/zinc/11/60/94/373116094.db2.gz WYLHXJXHCXPZMO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)N1CCNC(=O)C1 ZINC000125006184 373154705 /nfs/dbraw/zinc/15/47/05/373154705.db2.gz LBDZXHMWHDQAJP-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000052875785 373154783 /nfs/dbraw/zinc/15/47/83/373154783.db2.gz DRIXVHZTEOTISK-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(N)=O)c(=O)n2C ZINC000263663407 373157976 /nfs/dbraw/zinc/15/79/76/373157976.db2.gz FAUFKFNMHFPWSY-UHFFFAOYSA-N 1 1 308.342 -1.759 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000339125454 373123402 /nfs/dbraw/zinc/12/34/02/373123402.db2.gz BCAQBEVTFKQUEN-BDAKNGLRSA-N 1 1 321.403 -1.664 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000339125454 373123407 /nfs/dbraw/zinc/12/34/07/373123407.db2.gz BCAQBEVTFKQUEN-BDAKNGLRSA-N 1 1 321.403 -1.664 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000563243819 373123734 /nfs/dbraw/zinc/12/37/34/373123734.db2.gz WMWFNNRGAWUHFB-JQWIXIFHSA-N 1 1 320.415 -1.614 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)NC(N)=O)CC1 ZINC000366208218 373123746 /nfs/dbraw/zinc/12/37/46/373123746.db2.gz HFRUFORJVHTAMI-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339638642 373128714 /nfs/dbraw/zinc/12/87/14/373128714.db2.gz OBPVJRDVJLYPAE-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCn1ccnc1 ZINC000339709271 373128743 /nfs/dbraw/zinc/12/87/43/373128743.db2.gz APGUSQXDJRFEGU-UHFFFAOYSA-N 1 1 309.370 -1.162 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000534279814 373130093 /nfs/dbraw/zinc/13/00/93/373130093.db2.gz UUUXJNCFXAXBCQ-VXGBXAGGSA-N 1 1 316.427 -1.474 20 0 DAADMO O=C(CO)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000534316309 373131177 /nfs/dbraw/zinc/13/11/77/373131177.db2.gz ODCDBOUFMLROFH-QWHCGFSZSA-N 1 1 302.371 -1.321 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000563350591 373133218 /nfs/dbraw/zinc/13/32/18/373133218.db2.gz YUOLAOBJWHRTRE-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000563350589 373133297 /nfs/dbraw/zinc/13/32/97/373133297.db2.gz YUOLAOBJWHRTRE-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2COCCO2)CC1 ZINC000339765449 373133558 /nfs/dbraw/zinc/13/35/58/373133558.db2.gz HBSYCBVZRAGUNG-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2COCCO2)CC1 ZINC000339765438 373133872 /nfs/dbraw/zinc/13/38/72/373133872.db2.gz HBSYCBVZRAGUNG-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000563334801 373134154 /nfs/dbraw/zinc/13/41/54/373134154.db2.gz TVLIFIYWIVUXKG-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000263260520 373144381 /nfs/dbraw/zinc/14/43/81/373144381.db2.gz SIPMLFTVYXEXHV-OBJOEFQTSA-N 1 1 314.430 -1.001 20 0 DAADMO COC[C@H](CCO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353345580 373147467 /nfs/dbraw/zinc/14/74/67/373147467.db2.gz GSCOLPTYUHQGCL-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000340022620 373147476 /nfs/dbraw/zinc/14/74/76/373147476.db2.gz NRGPLTGRIOVIIJ-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000571384866 373148826 /nfs/dbraw/zinc/14/88/26/373148826.db2.gz SWMQJBDEUFFERH-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(C)(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+]1CCOCC1 ZINC000638164958 373211463 /nfs/dbraw/zinc/21/14/63/373211463.db2.gz KSMDNPWRSJQYNZ-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)(C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000638164958 373211472 /nfs/dbraw/zinc/21/14/72/373211472.db2.gz KSMDNPWRSJQYNZ-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)(C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)N1CCOCC1 ZINC000638164958 373211481 /nfs/dbraw/zinc/21/14/81/373211481.db2.gz KSMDNPWRSJQYNZ-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)N1CCNCC1=O ZINC000638423895 373219548 /nfs/dbraw/zinc/21/95/48/373219548.db2.gz CMAUPOGTUCMLIB-STQMWFEESA-N 1 1 309.414 -1.687 20 0 DAADMO Cn1c2ncn(C[C@H](O)C[N@@H+](C)C3CC3)c2c(=O)n(C)c1=O ZINC000290729754 373220316 /nfs/dbraw/zinc/22/03/16/373220316.db2.gz FUWOJFGGHSPPCZ-SNVBAGLBSA-N 1 1 307.354 -1.111 20 0 DAADMO COCCOCCS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000366684895 373222877 /nfs/dbraw/zinc/22/28/77/373222877.db2.gz FZVGKFXMVIDCHY-UHFFFAOYSA-N 1 1 310.416 -1.021 20 0 DAADMO COCCOCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000366684895 373222881 /nfs/dbraw/zinc/22/28/81/373222881.db2.gz FZVGKFXMVIDCHY-UHFFFAOYSA-N 1 1 310.416 -1.021 20 0 DAADMO CC(C)(C[NH+]1CCOCC1)C(=O)NCC(=O)N1CCNCC1 ZINC000637813714 373183332 /nfs/dbraw/zinc/18/33/32/373183332.db2.gz RVKVORKZINZRCL-UHFFFAOYSA-N 1 1 312.414 -1.107 20 0 DAADMO O[C@@H]1C[NH+](Cc2ccccc2CN2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789386 373190965 /nfs/dbraw/zinc/19/09/65/373190965.db2.gz OAKYOVSTIYZPRB-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789386 373190970 /nfs/dbraw/zinc/19/09/70/373190970.db2.gz OAKYOVSTIYZPRB-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789386 373190973 /nfs/dbraw/zinc/19/09/73/373190973.db2.gz OAKYOVSTIYZPRB-FPCVCCKLSA-N 1 1 308.378 -1.239 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340152683 373205528 /nfs/dbraw/zinc/20/55/28/373205528.db2.gz MNQNGRISALPAMG-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO O=C(N[C@@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417931024 373272120 /nfs/dbraw/zinc/27/21/20/373272120.db2.gz PHERMBQIFIOSTK-SNVBAGLBSA-N 1 1 318.399 -1.596 20 0 DAADMO C[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)[NH+]1CCSCC1 ZINC000329005607 373272727 /nfs/dbraw/zinc/27/27/27/373272727.db2.gz XKWYBRAKNJQXSX-JTQLQIEISA-N 1 1 322.456 -1.229 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000293788718 373227428 /nfs/dbraw/zinc/22/74/28/373227428.db2.gz XDXRONSRGXSRNH-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000340464143 373230352 /nfs/dbraw/zinc/23/03/52/373230352.db2.gz JAJNJRMQHAYGKP-LLVKDONJSA-N 1 1 314.386 -1.725 20 0 DAADMO Cn1nccc1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000340484390 373233210 /nfs/dbraw/zinc/23/32/10/373233210.db2.gz KAUYCJUPYMRZNS-UHFFFAOYSA-N 1 1 323.397 -1.049 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)CC(C)(C)CO)c(=O)n(C)c1=O ZINC000295274043 373233254 /nfs/dbraw/zinc/23/32/54/373233254.db2.gz SGEOJACQQRIART-UHFFFAOYSA-N 1 1 312.370 -1.201 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)CC(C)(C)CO)c(=O)n(C)c1=O ZINC000295274043 373233264 /nfs/dbraw/zinc/23/32/64/373233264.db2.gz SGEOJACQQRIART-UHFFFAOYSA-N 1 1 312.370 -1.201 20 0 DAADMO CC1=C(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)Cn2nnnc2N1C ZINC000296654365 373236277 /nfs/dbraw/zinc/23/62/77/373236277.db2.gz JGOVDYOCFULPIX-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)N[C@@H]1CCN(CC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000342357251 373243067 /nfs/dbraw/zinc/24/30/67/373243067.db2.gz QXDFDMJVBOPMOO-VXGBXAGGSA-N 1 1 312.418 -1.007 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC000617710219 373278308 /nfs/dbraw/zinc/27/83/08/373278308.db2.gz IEMLJDKBQFSQRC-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC000617710219 373278315 /nfs/dbraw/zinc/27/83/15/373278315.db2.gz IEMLJDKBQFSQRC-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000328906640 373251845 /nfs/dbraw/zinc/25/18/45/373251845.db2.gz BOXFOHAKLAWKAY-NEPJUHHUSA-N 1 1 305.400 -1.032 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000328906640 373251850 /nfs/dbraw/zinc/25/18/50/373251850.db2.gz BOXFOHAKLAWKAY-NEPJUHHUSA-N 1 1 305.400 -1.032 20 0 DAADMO CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)C1=O ZINC000328936352 373251921 /nfs/dbraw/zinc/25/19/21/373251921.db2.gz FWZJVPBVWRDAHC-NHYWBVRUSA-N 1 1 321.381 -1.267 20 0 DAADMO CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)C1=O ZINC000328936353 373252320 /nfs/dbraw/zinc/25/23/20/373252320.db2.gz FWZJVPBVWRDAHC-XHDPSFHLSA-N 1 1 321.381 -1.267 20 0 DAADMO O=C(C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000328963578 373252341 /nfs/dbraw/zinc/25/23/41/373252341.db2.gz RHKOVFKXMYOLLZ-CQSZACIVSA-N 1 1 322.369 -1.096 20 0 DAADMO O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000328963578 373252349 /nfs/dbraw/zinc/25/23/49/373252349.db2.gz RHKOVFKXMYOLLZ-CQSZACIVSA-N 1 1 322.369 -1.096 20 0 DAADMO C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000162942946 373257698 /nfs/dbraw/zinc/25/76/98/373257698.db2.gz LHMYERNFXSSGQM-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000162942946 373257707 /nfs/dbraw/zinc/25/77/07/373257707.db2.gz LHMYERNFXSSGQM-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198432 373260926 /nfs/dbraw/zinc/26/09/26/373260926.db2.gz QUBDKTMFQLTBJE-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198432 373260943 /nfs/dbraw/zinc/26/09/43/373260943.db2.gz QUBDKTMFQLTBJE-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000639857884 373287995 /nfs/dbraw/zinc/28/79/95/373287995.db2.gz WCIBPVSLYOJXHQ-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000639857883 373288013 /nfs/dbraw/zinc/28/80/13/373288013.db2.gz WCIBPVSLYOJXHQ-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](Cn2ccnn2)C1 ZINC000639854553 373288050 /nfs/dbraw/zinc/28/80/50/373288050.db2.gz HVZORXVPAHRJNG-UONOGXRCSA-N 1 1 313.402 -1.082 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2nccnn2)CC1 ZINC000628381022 373288157 /nfs/dbraw/zinc/28/81/57/373288157.db2.gz OBGXQNQYDIQJCK-CYBMUJFWSA-N 1 1 317.397 -1.090 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)C1 ZINC000639850682 373288710 /nfs/dbraw/zinc/28/87/10/373288710.db2.gz FTJDWDYJWZJENN-UMVBOHGHSA-N 1 1 313.398 -1.069 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639852002 373289217 /nfs/dbraw/zinc/28/92/17/373289217.db2.gz QPTLEZHQBTZKJU-NEPJUHHUSA-N 1 1 310.416 -1.240 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639852002 373289220 /nfs/dbraw/zinc/28/92/20/373289220.db2.gz QPTLEZHQBTZKJU-NEPJUHHUSA-N 1 1 310.416 -1.240 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639854933 373289593 /nfs/dbraw/zinc/28/95/93/373289593.db2.gz KRUGQDREFYJLOU-FZMZJTMJSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639854933 373289600 /nfs/dbraw/zinc/28/96/00/373289600.db2.gz KRUGQDREFYJLOU-FZMZJTMJSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2=O)cn1 ZINC000626461116 373293149 /nfs/dbraw/zinc/29/31/49/373293149.db2.gz OSATWEWPVVNPIL-XHDPSFHLSA-N 1 1 321.381 -1.044 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639867378 373293396 /nfs/dbraw/zinc/29/33/96/373293396.db2.gz DIGBPPIWBNFJNP-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639867378 373293406 /nfs/dbraw/zinc/29/34/06/373293406.db2.gz DIGBPPIWBNFJNP-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCCS(N)(=O)=O)CC1 ZINC000178734087 373300228 /nfs/dbraw/zinc/30/02/28/373300228.db2.gz RTAHNBXRSWMUNA-LBPRGKRZSA-N 1 1 318.443 -1.097 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000176069407 373300813 /nfs/dbraw/zinc/30/08/13/373300813.db2.gz BKOKDRPFOSABSZ-UHFFFAOYSA-N 1 1 306.432 -1.241 20 0 DAADMO Cn1c2ncn(CC[N@@H+]3CCC[C@@H]3C(N)=O)c2c(=O)n(C)c1=O ZINC000176233633 373301063 /nfs/dbraw/zinc/30/10/63/373301063.db2.gz NQXLQSCPPPXSMH-SECBINFHSA-N 1 1 320.353 -1.617 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H]3C(N)=O)c2c(=O)n(C)c1=O ZINC000176233633 373301071 /nfs/dbraw/zinc/30/10/71/373301071.db2.gz NQXLQSCPPPXSMH-SECBINFHSA-N 1 1 320.353 -1.617 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCCS(N)(=O)=O)CC1 ZINC000178734076 373301244 /nfs/dbraw/zinc/30/12/44/373301244.db2.gz RTAHNBXRSWMUNA-GFCCVEGCSA-N 1 1 318.443 -1.097 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1CO ZINC000190840910 373304891 /nfs/dbraw/zinc/30/48/91/373304891.db2.gz RAGSTYOIPMNZRG-MNOVXSKESA-N 1 1 321.381 -1.006 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639953435 373307316 /nfs/dbraw/zinc/30/73/16/373307316.db2.gz MABMMNOXQUQNDX-TXEJJXNPSA-N 1 1 303.384 -1.090 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1cc(=O)n(C)c(=O)n1C ZINC000640048950 373309089 /nfs/dbraw/zinc/30/90/89/373309089.db2.gz GPXBVLCRAHYAAX-UHFFFAOYSA-N 1 1 323.397 -1.710 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)CCC(=O)N2CCOCC2)CC1 ZINC000640059584 373309618 /nfs/dbraw/zinc/30/96/18/373309618.db2.gz QYQMKXDTNJMRQJ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)CC(=O)N1CCN(C)CC1 ZINC000640051506 373310431 /nfs/dbraw/zinc/31/04/31/373310431.db2.gz OUCQNEFHZJMEDR-CQSZACIVSA-N 1 1 316.446 -1.369 20 0 DAADMO CNC(=O)NC[C@H]1COCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000640104185 373311730 /nfs/dbraw/zinc/31/17/30/373311730.db2.gz CFNBDVODXLZTRD-STQMWFEESA-N 1 1 318.418 -1.445 20 0 DAADMO CNC(=O)NC[C@H]1COCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000640126312 373312284 /nfs/dbraw/zinc/31/22/84/373312284.db2.gz WMOVIRZIGBKSFH-LBPRGKRZSA-N 1 1 313.402 -1.610 20 0 DAADMO CNC(=O)NC[C@H]1COCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000640104184 373312665 /nfs/dbraw/zinc/31/26/65/373312665.db2.gz CFNBDVODXLZTRD-QWHCGFSZSA-N 1 1 318.418 -1.445 20 0 DAADMO C[C@H]1C(=O)NCCCN1CC(O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000194835544 373319391 /nfs/dbraw/zinc/31/93/91/373319391.db2.gz IQVGGIKYLZXRSK-RYUDHWBXSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H]1C(=O)NCCCN1CC(O)C[N@H+]1CCCNC(=O)[C@@H]1C ZINC000194835544 373319404 /nfs/dbraw/zinc/31/94/04/373319404.db2.gz IQVGGIKYLZXRSK-RYUDHWBXSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[NH+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000074674379 373326764 /nfs/dbraw/zinc/32/67/64/373326764.db2.gz WRZFAZDDBKIOAI-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639649199 373281245 /nfs/dbraw/zinc/28/12/45/373281245.db2.gz WYIPKSVWBYEZQZ-SNVBAGLBSA-N 1 1 300.388 -1.153 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CN2CCNCC2=O)C[C@H](C)O1 ZINC000571998696 373328449 /nfs/dbraw/zinc/32/84/49/373328449.db2.gz UYETVOZCDJCMKB-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CN2CCNCC2=O)C[C@H](C)O1 ZINC000571998696 373328459 /nfs/dbraw/zinc/32/84/59/373328459.db2.gz UYETVOZCDJCMKB-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nc2n(n1)CCCN2 ZINC000628585181 373374023 /nfs/dbraw/zinc/37/40/23/373374023.db2.gz WUZFEOKTZFASKB-JTQLQIEISA-N 1 1 321.385 -1.579 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000385605397 373331229 /nfs/dbraw/zinc/33/12/29/373331229.db2.gz HOBBTWLJBCMRNZ-CHWSQXEVSA-N 1 1 321.443 -1.355 20 0 DAADMO COC(=O)CCNC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522495 373333804 /nfs/dbraw/zinc/33/38/04/373333804.db2.gz DHXIAEUJGZJGJC-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCS(N)(=O)=O)C1 ZINC000611724186 373336710 /nfs/dbraw/zinc/33/67/10/373336710.db2.gz LYCYZECNRMWTRQ-LLVKDONJSA-N 1 1 322.431 -1.069 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000612303119 373355989 /nfs/dbraw/zinc/35/59/89/373355989.db2.gz FJKVVLYMKDTSGE-ONGXEEELSA-N 1 1 304.416 -1.019 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000612303118 373357018 /nfs/dbraw/zinc/35/70/18/373357018.db2.gz FJKVVLYMKDTSGE-MWLCHTKSSA-N 1 1 304.416 -1.019 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC000628799594 373378245 /nfs/dbraw/zinc/37/82/45/373378245.db2.gz BYGSINQNXJRNAS-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000626926430 373368602 /nfs/dbraw/zinc/36/86/02/373368602.db2.gz HFLITECMDSVWML-LLVKDONJSA-N 1 1 309.370 -1.614 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000139140446 373402822 /nfs/dbraw/zinc/40/28/22/373402822.db2.gz RBWHJGKSHZDMLX-UHFFFAOYSA-N 1 1 321.403 -1.615 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000629820096 373413241 /nfs/dbraw/zinc/41/32/41/373413241.db2.gz WNTKHUPAYZSTCX-CYBMUJFWSA-N 1 1 310.398 -1.107 20 0 DAADMO Cn1nnnc1SCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913503 373413293 /nfs/dbraw/zinc/41/32/93/373413293.db2.gz ZQXRWAXPXZFBSF-VIFPVBQESA-N 1 1 300.388 -1.125 20 0 DAADMO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1=O ZINC000629910792 373413343 /nfs/dbraw/zinc/41/33/43/373413343.db2.gz GQHUCDKZSCVIFE-XHDPSFHLSA-N 1 1 324.381 -1.110 20 0 DAADMO CN(CC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ncnc2nc[nH]c21 ZINC000629912150 373413873 /nfs/dbraw/zinc/41/38/73/373413873.db2.gz LKFJFBAOAJSABY-JTQLQIEISA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ncnc2[nH]cnc21 ZINC000629912150 373413884 /nfs/dbraw/zinc/41/38/84/373413884.db2.gz LKFJFBAOAJSABY-JTQLQIEISA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ncnc2[nH]cnc21 ZINC000629912150 373413894 /nfs/dbraw/zinc/41/38/94/373413894.db2.gz LKFJFBAOAJSABY-JTQLQIEISA-N 1 1 319.369 -1.028 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911130 373414442 /nfs/dbraw/zinc/41/44/42/373414442.db2.gz DGAGJEONBXEXOB-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)co1 ZINC000629914859 373416021 /nfs/dbraw/zinc/41/60/21/373416021.db2.gz JHFWCEJQWAKWPP-JTQLQIEISA-N 1 1 317.367 -1.016 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCC1 ZINC000629946895 373416262 /nfs/dbraw/zinc/41/62/62/373416262.db2.gz CZYUUEXTPHVQJN-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO NS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629916931 373416890 /nfs/dbraw/zinc/41/68/90/373416890.db2.gz GRFLTLKMZWGACX-MNOVXSKESA-N 1 1 320.415 -1.915 20 0 DAADMO C[NH+]1CCN(C(=O)Cn2cc(CCN3CCOCC3)nn2)CC1 ZINC000640837277 373418147 /nfs/dbraw/zinc/41/81/47/373418147.db2.gz NLEVSGYWVURVMP-UHFFFAOYSA-N 1 1 322.413 -1.073 20 0 DAADMO CNC(=O)NC[C@H]1COCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000634516729 373418798 /nfs/dbraw/zinc/41/87/98/373418798.db2.gz NUGMDRWYSBDMGP-LBPRGKRZSA-N 1 1 313.402 -1.610 20 0 DAADMO CC[N@@H+](C)CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000068960674 373424205 /nfs/dbraw/zinc/42/42/05/373424205.db2.gz CYXIBTOXWLNWMF-UHFFFAOYSA-N 1 1 304.372 -1.686 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nnn(C)c2=O)C1 ZINC000641516995 373425192 /nfs/dbraw/zinc/42/51/92/373425192.db2.gz SOYKCPOTNGYTTJ-LLVKDONJSA-N 1 1 312.374 -1.550 20 0 DAADMO COCC(COC)S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000641569577 373425758 /nfs/dbraw/zinc/42/57/58/373425758.db2.gz LSCTUJKPTUPDAQ-WDEREUQCSA-N 1 1 308.400 -1.272 20 0 DAADMO COCC(COC)S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000641569577 373425768 /nfs/dbraw/zinc/42/57/68/373425768.db2.gz LSCTUJKPTUPDAQ-WDEREUQCSA-N 1 1 308.400 -1.272 20 0 DAADMO CNc1nc(N2C[C@@H]3C[C@]3(O)C2)nc(N2C[C@@H]3C[C@]3(O)C2)[nH+]1 ZINC000641711772 373425868 /nfs/dbraw/zinc/42/58/68/373425868.db2.gz FLWNYZUNMUWHEP-WBRVRECLSA-N 1 1 304.354 -1.523 20 0 DAADMO NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000641797266 373427095 /nfs/dbraw/zinc/42/70/95/373427095.db2.gz ZVMMZQOPOPZSPS-GFCCVEGCSA-N 1 1 318.443 -1.191 20 0 DAADMO NS(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000641797266 373427106 /nfs/dbraw/zinc/42/71/06/373427106.db2.gz ZVMMZQOPOPZSPS-GFCCVEGCSA-N 1 1 318.443 -1.191 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000629339480 373387114 /nfs/dbraw/zinc/38/71/14/373387114.db2.gz CNMZDJRAMXGPGG-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@H]4C[C@@]4(O)C3)c2c(=O)n(C)c1=O ZINC000640477573 373393405 /nfs/dbraw/zinc/39/34/05/373393405.db2.gz BXRGJOJXFQZEAL-YMTOWFKASA-N 1 1 305.338 -1.500 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)C1 ZINC000629568342 373397126 /nfs/dbraw/zinc/39/71/26/373397126.db2.gz JQKPMJKOWBMLBJ-GHMZBOCLSA-N 1 1 305.400 -1.285 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629568757 373397512 /nfs/dbraw/zinc/39/75/12/373397512.db2.gz WNWGWCVJRWCHLB-NSHDSACASA-N 1 1 316.383 -1.032 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCOCC[NH3+])CC1 ZINC000629579729 373400559 /nfs/dbraw/zinc/40/05/59/373400559.db2.gz QDVVGCAHRUQAAK-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO CN(CC(=O)N1CCNCC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901581 373439797 /nfs/dbraw/zinc/43/97/97/373439797.db2.gz IIUPNHCRUBSZNN-LLVKDONJSA-N 1 1 320.415 -2.332 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000623572018 373442166 /nfs/dbraw/zinc/44/21/66/373442166.db2.gz OIYIXIJHFOEWGC-LLVKDONJSA-N 1 1 302.375 -1.150 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCNS(C)(=O)=O ZINC000642243381 373442860 /nfs/dbraw/zinc/44/28/60/373442860.db2.gz UIXXATBWEVRHAF-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000613331232 373444398 /nfs/dbraw/zinc/44/43/98/373444398.db2.gz ZIZKSZBSHNBPGG-WDEREUQCSA-N 1 1 304.416 -1.065 20 0 DAADMO NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000627156220 373452438 /nfs/dbraw/zinc/45/24/38/373452438.db2.gz AEAQYNITPVTNMF-IJLUTSLNSA-N 1 1 323.397 -1.144 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627120734 373452799 /nfs/dbraw/zinc/45/27/99/373452799.db2.gz TVDMTUQVMHMPKM-LBPRGKRZSA-N 1 1 312.418 -1.053 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)CN2CCNCC2=O)CC1 ZINC000236877778 373459041 /nfs/dbraw/zinc/45/90/41/373459041.db2.gz DEKVUBGRBUUJCQ-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000613521242 373460127 /nfs/dbraw/zinc/46/01/27/373460127.db2.gz BQUVXWADHQLIGA-PWSUYJOCSA-N 1 1 320.415 -1.915 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000613581871 373461085 /nfs/dbraw/zinc/46/10/85/373461085.db2.gz GENGQVHXLPTNNS-NSHDSACASA-N 1 1 322.431 -1.668 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@H](C)C1 ZINC000613656623 373465083 /nfs/dbraw/zinc/46/50/83/373465083.db2.gz ROKSUUAWDYEHDW-MNOVXSKESA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@H](C)C1 ZINC000613656623 373465090 /nfs/dbraw/zinc/46/50/90/373465090.db2.gz ROKSUUAWDYEHDW-MNOVXSKESA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502373 373482722 /nfs/dbraw/zinc/48/27/22/373482722.db2.gz KIOLPHXGDGCGRH-IACUBPJLSA-N 1 1 324.425 -1.232 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000613693744 373466497 /nfs/dbraw/zinc/46/64/97/373466497.db2.gz HFJTYDBIDNQUFF-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000613693744 373466500 /nfs/dbraw/zinc/46/65/00/373466500.db2.gz HFJTYDBIDNQUFF-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[N@@H+]1CCO ZINC000613694353 373467034 /nfs/dbraw/zinc/46/70/34/373467034.db2.gz LJQMESUYEJTLID-WDEREUQCSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[N@H+]1CCO ZINC000613694353 373467044 /nfs/dbraw/zinc/46/70/44/373467044.db2.gz LJQMESUYEJTLID-WDEREUQCSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[N@@H+]1CCO ZINC000613694343 373467247 /nfs/dbraw/zinc/46/72/47/373467247.db2.gz LJQMESUYEJTLID-GHMZBOCLSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC[N@H+]1CCO ZINC000613694343 373467259 /nfs/dbraw/zinc/46/72/59/373467259.db2.gz LJQMESUYEJTLID-GHMZBOCLSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[N@@H+]1CCO ZINC000613694346 373467970 /nfs/dbraw/zinc/46/79/70/373467970.db2.gz LJQMESUYEJTLID-MNOVXSKESA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC[N@H+]1CCO ZINC000613694346 373467983 /nfs/dbraw/zinc/46/79/83/373467983.db2.gz LJQMESUYEJTLID-MNOVXSKESA-N 1 1 308.386 -1.264 20 0 DAADMO CC1(C)CN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+]1CCO ZINC000613776981 373468945 /nfs/dbraw/zinc/46/89/45/373468945.db2.gz JXUKNZUYGDNDPF-UHFFFAOYSA-N 1 1 308.386 -1.120 20 0 DAADMO CC1(C)CN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+]1CCO ZINC000613776981 373468949 /nfs/dbraw/zinc/46/89/49/373468949.db2.gz JXUKNZUYGDNDPF-UHFFFAOYSA-N 1 1 308.386 -1.120 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614502645 373482280 /nfs/dbraw/zinc/48/22/80/373482280.db2.gz LBGISXIRBYRZAW-ZDUSSCGKSA-N 1 1 309.414 -1.734 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C[C@H]2C1 ZINC000614124442 373475099 /nfs/dbraw/zinc/47/50/99/373475099.db2.gz MXPQUTDSGCRNBF-UTUOFQBUSA-N 1 1 316.427 -1.078 20 0 DAADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H](O)C(N)=O)n2C ZINC000614074733 373475984 /nfs/dbraw/zinc/47/59/84/373475984.db2.gz VEPQOTNHIMNWKF-SECBINFHSA-N 1 1 306.326 -1.390 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627266128 373493966 /nfs/dbraw/zinc/49/39/66/373493966.db2.gz UZMHKCZVUKTCSK-UTUOFQBUSA-N 1 1 320.397 -1.122 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000539525439 373495599 /nfs/dbraw/zinc/49/55/99/373495599.db2.gz DGSJUXIIXIFVKV-JTQLQIEISA-N 1 1 315.399 -1.012 20 0 DAADMO Cn1cnn(CCC(=O)N2CC(C[NH+]3CCOCC3)C2)c1=O ZINC000615139445 373505248 /nfs/dbraw/zinc/50/52/48/373505248.db2.gz DRLHZLLWHVXXGY-UHFFFAOYSA-N 1 1 309.370 -1.238 20 0 DAADMO CN1CCN(CC(=O)N2CC(C[NH+]3CCOCC3)C2)CC1=O ZINC000615145390 373506031 /nfs/dbraw/zinc/50/60/31/373506031.db2.gz VYAPCORGPMUAEE-UHFFFAOYSA-N 1 1 310.398 -1.449 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615264139 373508130 /nfs/dbraw/zinc/50/81/30/373508130.db2.gz CDVJWIWCAYICEK-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000615275647 373508480 /nfs/dbraw/zinc/50/84/80/373508480.db2.gz MYPVYJWGFUFZAL-GHMZBOCLSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927125 373508658 /nfs/dbraw/zinc/50/86/58/373508658.db2.gz YAOPNXPBLPHHLZ-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927125 373508661 /nfs/dbraw/zinc/50/86/61/373508661.db2.gz YAOPNXPBLPHHLZ-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000553095323 373508963 /nfs/dbraw/zinc/50/89/63/373508963.db2.gz PZYRARGVEPSLDP-UHFFFAOYSA-N 1 1 310.420 -1.581 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000615264384 373509116 /nfs/dbraw/zinc/50/91/16/373509116.db2.gz DUSFXULURIREKB-DCAQKATOSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1=O ZINC000567839058 373535516 /nfs/dbraw/zinc/53/55/16/373535516.db2.gz QNPYXWDKFJVVQS-NSHDSACASA-N 1 1 322.369 -1.995 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615264134 373509625 /nfs/dbraw/zinc/50/96/25/373509625.db2.gz CDVJWIWCAYICEK-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO CCS(=O)(=O)N1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000572539005 373511276 /nfs/dbraw/zinc/51/12/76/373511276.db2.gz QZFRCMYJNGHKLM-ZDUSSCGKSA-N 1 1 323.459 -1.107 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC(C)(CO)CO)CC1 ZINC000564576858 373514464 /nfs/dbraw/zinc/51/44/64/373514464.db2.gz MCVVSBCHIZEBRP-UHFFFAOYSA-N 1 1 316.402 -1.419 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCc2cc[nH]n2)CC1 ZINC000555578993 373514823 /nfs/dbraw/zinc/51/48/23/373514823.db2.gz NEYWZLYVCIBAHJ-UHFFFAOYSA-N 1 1 309.370 -1.059 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129169 373516650 /nfs/dbraw/zinc/51/66/50/373516650.db2.gz VQPBWNYQXKLLFP-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000565129169 373516655 /nfs/dbraw/zinc/51/66/55/373516655.db2.gz VQPBWNYQXKLLFP-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000565165617 373521795 /nfs/dbraw/zinc/52/17/95/373521795.db2.gz PJPGADNHOMMMOW-NWDGAFQWSA-N 1 1 309.432 -1.322 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cn(CCOC)nn2)CC1 ZINC000567615677 373536405 /nfs/dbraw/zinc/53/64/05/373536405.db2.gz CTHSAYBIKASYBZ-UHFFFAOYSA-N 1 1 324.385 -1.182 20 0 DAADMO NS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000566364647 373528527 /nfs/dbraw/zinc/52/85/27/373528527.db2.gz XZMXXFPIZWHRKG-SNVBAGLBSA-N 1 1 305.400 -1.230 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000566481797 373531561 /nfs/dbraw/zinc/53/15/61/373531561.db2.gz QHNONACPUABYSH-GWCFXTLKSA-N 1 1 303.359 -1.118 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000567179067 373532671 /nfs/dbraw/zinc/53/26/71/373532671.db2.gz YAUUWJSDFAHGJA-LLVKDONJSA-N 1 1 304.416 -1.063 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCC[N@H+]1CCCOCC1 ZINC000567054710 373533581 /nfs/dbraw/zinc/53/35/81/373533581.db2.gz YRAJSZVKPAMWKM-UHFFFAOYSA-N 1 1 322.431 -1.437 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)S(N)(=O)=O ZINC000614506165 373482944 /nfs/dbraw/zinc/48/29/44/373482944.db2.gz WTNPCZPYZCHJCC-NEPJUHHUSA-N 1 1 318.443 -1.050 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)S1(=O)=O ZINC000614514295 373484719 /nfs/dbraw/zinc/48/47/19/373484719.db2.gz LTECVOZRMDQNGD-RYUDHWBXSA-N 1 1 316.427 -1.474 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529336944 373485991 /nfs/dbraw/zinc/48/59/91/373485991.db2.gz DCUDKRMROCGIJL-ITGUQSILSA-N 1 1 322.413 -1.443 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC000627252157 373486337 /nfs/dbraw/zinc/48/63/37/373486337.db2.gz MWRCNGYWJCCYHH-MNOVXSKESA-N 1 1 324.381 -1.016 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000578012919 373580667 /nfs/dbraw/zinc/58/06/67/373580667.db2.gz MEAUYYNZHOVKKB-RWMBFGLXSA-N 1 1 304.387 -1.076 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC000623635661 373582811 /nfs/dbraw/zinc/58/28/11/373582811.db2.gz QIMOPGADXIZROB-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](O)Cc2cnn(C)c2)CC1 ZINC000578629873 373584965 /nfs/dbraw/zinc/58/49/65/373584965.db2.gz LQWNDBQGCSIMKQ-CYBMUJFWSA-N 1 1 323.397 -1.396 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000579805924 373594115 /nfs/dbraw/zinc/59/41/15/373594115.db2.gz BBWVQJYWSSQPEC-XHDPSFHLSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCCN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000567750212 373537232 /nfs/dbraw/zinc/53/72/32/373537232.db2.gz MEKATUSDSMQJHH-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO Cn1cnn(CC(=O)NC2CCC([NH+]3CCNCC3)CC2)c1=O ZINC000579836110 373594227 /nfs/dbraw/zinc/59/42/27/373594227.db2.gz AVVZUYIUHHETID-UHFFFAOYSA-N 1 1 322.413 -1.086 20 0 DAADMO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000567716871 373538303 /nfs/dbraw/zinc/53/83/03/373538303.db2.gz QCXRTFSKHCASQX-NSHDSACASA-N 1 1 310.398 -1.214 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cn[nH]c2=O)CC1 ZINC000157898419 373543050 /nfs/dbraw/zinc/54/30/50/373543050.db2.gz WLNIQZISEHBFHU-LBPRGKRZSA-N 1 1 310.402 -1.039 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000568047868 373543337 /nfs/dbraw/zinc/54/33/37/373543337.db2.gz XIZWEZGWJPWBKV-SSDOTTSWSA-N 1 1 300.331 -1.087 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)COC)CC1 ZINC000568587679 373546458 /nfs/dbraw/zinc/54/64/58/373546458.db2.gz FCAYEKWEHGCFOB-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000568373619 373546637 /nfs/dbraw/zinc/54/66/37/373546637.db2.gz OVUIEYBKOBQGIJ-DGCLKSJQSA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569045595 373547432 /nfs/dbraw/zinc/54/74/32/373547432.db2.gz BIECJNPJJLXOEE-NQBHXWOUSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000569045595 373547443 /nfs/dbraw/zinc/54/74/43/373547443.db2.gz BIECJNPJJLXOEE-NQBHXWOUSA-N 1 1 313.398 -1.213 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000569197976 373547705 /nfs/dbraw/zinc/54/77/05/373547705.db2.gz MUVRFSTUUMEDBK-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO COC(=O)CN(C)C(=O)CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000573445478 373553029 /nfs/dbraw/zinc/55/30/29/373553029.db2.gz XNIGPPWGUXKCND-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C[C@@H]21 ZINC000573212503 373553254 /nfs/dbraw/zinc/55/32/54/373553254.db2.gz FIAQQFMCDKFCFP-RDBSUJKOSA-N 1 1 322.409 -1.308 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000574286877 373558944 /nfs/dbraw/zinc/55/89/44/373558944.db2.gz IUBSUGQWIFARNH-JTQLQIEISA-N 1 1 308.404 -1.733 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000574130649 373560037 /nfs/dbraw/zinc/56/00/37/373560037.db2.gz DNPFUYLCYHNYCD-MNOVXSKESA-N 1 1 302.375 -1.151 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574452543 373561458 /nfs/dbraw/zinc/56/14/58/373561458.db2.gz BRCKSQXHUBIJEO-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000574452543 373561463 /nfs/dbraw/zinc/56/14/63/373561463.db2.gz BRCKSQXHUBIJEO-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000579758399 373595595 /nfs/dbraw/zinc/59/55/95/373595595.db2.gz BPVYFPRFAVQVGJ-MROQNXINSA-N 1 1 313.398 -1.226 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000576987693 373570526 /nfs/dbraw/zinc/57/05/26/373570526.db2.gz WBHYDQVLZFRYJH-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+]1CC[C@@H]2CN([C@@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694872 373573749 /nfs/dbraw/zinc/57/37/49/373573749.db2.gz QBTYHINEYYWHSR-UPJWGTAASA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694872 373573753 /nfs/dbraw/zinc/57/37/53/373573753.db2.gz QBTYHINEYYWHSR-UPJWGTAASA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H]2C[N@H+]([C@@H]3CC(=O)N(CCOCCO)C3=O)C[C@@H]21 ZINC000580694872 373573759 /nfs/dbraw/zinc/57/37/59/373573759.db2.gz QBTYHINEYYWHSR-UPJWGTAASA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)CN[C@H]1C(=O)NCC[C@@H]1C ZINC000577344893 373575181 /nfs/dbraw/zinc/57/51/81/373575181.db2.gz QXACEZBLAWPPIE-NZEXEKPDSA-N 1 1 312.414 -1.424 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000577384047 373577534 /nfs/dbraw/zinc/57/75/34/373577534.db2.gz PPEAOCJQGDJTKY-WDEREUQCSA-N 1 1 300.359 -1.839 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)C[N@@H+]1C1CC1 ZINC000627349168 373657186 /nfs/dbraw/zinc/65/71/86/373657186.db2.gz FGNKRGVBPFJLPP-WOPDTQHZSA-N 1 1 310.398 -1.168 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)C[N@H+]1C1CC1 ZINC000627349168 373657194 /nfs/dbraw/zinc/65/71/94/373657194.db2.gz FGNKRGVBPFJLPP-WOPDTQHZSA-N 1 1 310.398 -1.168 20 0 DAADMO C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)N1C(=O)CCC1=O ZINC000069574282 373626181 /nfs/dbraw/zinc/62/61/81/373626181.db2.gz JKBUGQWKFVDIDP-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CN(C)S(C)(=O)=O)n1C ZINC000074095757 373627339 /nfs/dbraw/zinc/62/73/39/373627339.db2.gz OEETUECPBRALQU-UHFFFAOYSA-N 1 1 303.388 -1.006 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616155061 373627482 /nfs/dbraw/zinc/62/74/82/373627482.db2.gz ICFZNBYKSPZHGZ-WKSBVSIWSA-N 1 1 300.355 -2.076 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616155061 373627486 /nfs/dbraw/zinc/62/74/86/373627486.db2.gz ICFZNBYKSPZHGZ-WKSBVSIWSA-N 1 1 300.355 -2.076 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000616158185 373627751 /nfs/dbraw/zinc/62/77/51/373627751.db2.gz XCYPZKVATMRRPZ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000616158185 373627760 /nfs/dbraw/zinc/62/77/60/373627760.db2.gz XCYPZKVATMRRPZ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC000616154411 373627955 /nfs/dbraw/zinc/62/79/55/373627955.db2.gz GDICUIRJYZCBGP-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CNS(=O)(=O)N(C)C ZINC000616154411 373627961 /nfs/dbraw/zinc/62/79/61/373627961.db2.gz GDICUIRJYZCBGP-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000616158549 373630702 /nfs/dbraw/zinc/63/07/02/373630702.db2.gz YTQIUNLTZUYOMV-QWRGUYRKSA-N 1 1 308.386 -1.264 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000616158549 373630713 /nfs/dbraw/zinc/63/07/13/373630713.db2.gz YTQIUNLTZUYOMV-QWRGUYRKSA-N 1 1 308.386 -1.264 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000621263873 373643418 /nfs/dbraw/zinc/64/34/18/373643418.db2.gz IKPRZGLNPCIIIW-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000621263873 373643427 /nfs/dbraw/zinc/64/34/27/373643427.db2.gz IKPRZGLNPCIIIW-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000627312773 373644162 /nfs/dbraw/zinc/64/41/62/373644162.db2.gz IKGSIHSUSHYUMT-AGIUHOORSA-N 1 1 311.430 -1.395 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)C[NH2+]1 ZINC000627312773 373644167 /nfs/dbraw/zinc/64/41/67/373644167.db2.gz IKGSIHSUSHYUMT-AGIUHOORSA-N 1 1 311.430 -1.395 20 0 DAADMO Cn1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000077610382 373647942 /nfs/dbraw/zinc/64/79/42/373647942.db2.gz AOWDKEUWUWTSMM-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627353317 373658711 /nfs/dbraw/zinc/65/87/11/373658711.db2.gz YXGKHYNCPOJXJG-NSHDSACASA-N 1 1 302.375 -2.215 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627353317 373658719 /nfs/dbraw/zinc/65/87/19/373658719.db2.gz YXGKHYNCPOJXJG-NSHDSACASA-N 1 1 302.375 -2.215 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000066421402 373650867 /nfs/dbraw/zinc/65/08/67/373650867.db2.gz CGOVIVFOUGXJBR-JTQLQIEISA-N 1 1 318.399 -1.058 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621839289 373652050 /nfs/dbraw/zinc/65/20/50/373652050.db2.gz QNJMUNDZEXXMMU-ZENOOKHLSA-N 1 1 323.441 -1.312 20 0 DAADMO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC000622031105 373653072 /nfs/dbraw/zinc/65/30/72/373653072.db2.gz HNVSHZBNWDJRHL-IATRGZMQSA-N 1 1 322.409 -1.396 20 0 DAADMO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627346553 373654010 /nfs/dbraw/zinc/65/40/10/373654010.db2.gz VWOXPHFABGMZRN-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627346553 373654017 /nfs/dbraw/zinc/65/40/17/373654017.db2.gz VWOXPHFABGMZRN-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC000622031106 373654176 /nfs/dbraw/zinc/65/41/76/373654176.db2.gz HNVSHZBNWDJRHL-JFILPPLUSA-N 1 1 322.409 -1.396 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(C)C(=O)C2)n1C ZINC000580900643 373597804 /nfs/dbraw/zinc/59/78/04/373597804.db2.gz QUPXRBQOVYREIP-UHFFFAOYSA-N 1 1 322.369 -1.597 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000622050318 373655634 /nfs/dbraw/zinc/65/56/34/373655634.db2.gz IZTVAOVUKORQEK-JTQLQIEISA-N 1 1 309.388 -1.872 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000622050318 373655648 /nfs/dbraw/zinc/65/56/48/373655648.db2.gz IZTVAOVUKORQEK-JTQLQIEISA-N 1 1 309.388 -1.872 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1CC[NH+](C)CC1 ZINC000627352586 373656175 /nfs/dbraw/zinc/65/61/75/373656175.db2.gz BGAYPOJGSQHZDW-DGCLKSJQSA-N 1 1 312.414 -1.063 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1nc2n(n1)CCCN2 ZINC000615657952 373611689 /nfs/dbraw/zinc/61/16/89/373611689.db2.gz ZUBXNGUTNDKHDY-LLVKDONJSA-N 1 1 308.386 -1.072 20 0 DAADMO CCNC(=O)[C@@H](C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043824918 373615749 /nfs/dbraw/zinc/61/57/49/373615749.db2.gz KUZZMULNHCAUMI-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627353316 373657081 /nfs/dbraw/zinc/65/70/81/373657081.db2.gz YXGKHYNCPOJXJG-LLVKDONJSA-N 1 1 302.375 -2.215 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627353316 373657086 /nfs/dbraw/zinc/65/70/86/373657086.db2.gz YXGKHYNCPOJXJG-LLVKDONJSA-N 1 1 302.375 -2.215 20 0 DAADMO CN1N=C(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000058920872 373621084 /nfs/dbraw/zinc/62/10/84/373621084.db2.gz GCEZUDVUPKKZTJ-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000632214058 373709052 /nfs/dbraw/zinc/70/90/52/373709052.db2.gz QMJDWJRYJUTANF-RYUDHWBXSA-N 1 1 307.416 -1.697 20 0 DAADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000632213074 373709777 /nfs/dbraw/zinc/70/97/77/373709777.db2.gz BWHSSVHSABTFEU-AAEUAGOBSA-N 1 1 317.411 -1.264 20 0 DAADMO CCN1C[C@H](S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000632214366 373710048 /nfs/dbraw/zinc/71/00/48/373710048.db2.gz YXPBEPLFYVUOAB-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)NCC[N@@H+](CC)CCO)CC1=O ZINC000632225945 373712505 /nfs/dbraw/zinc/71/25/05/373712505.db2.gz DEGBWMWWABTSEY-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000623890772 373661356 /nfs/dbraw/zinc/66/13/56/373661356.db2.gz WBHWZELNIWJHTL-SSDOTTSWSA-N 1 1 320.309 -1.301 20 0 DAADMO CC(C)OCCOC[C@@H](O)CN(C)c1nc(N)nc(N)[nH+]1 ZINC000623893640 373662720 /nfs/dbraw/zinc/66/27/20/373662720.db2.gz XHVUDAMVWUIYSE-VIFPVBQESA-N 1 1 300.363 -1.065 20 0 DAADMO NC(=O)C[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CCO1 ZINC000624115080 373664380 /nfs/dbraw/zinc/66/43/80/373664380.db2.gz NPHPJRMEIQMGPK-LBPRGKRZSA-N 1 1 314.386 -1.006 20 0 DAADMO CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2nc(N)nc(N)[nH+]2)C1=O ZINC000624018645 373665001 /nfs/dbraw/zinc/66/50/01/373665001.db2.gz VUIRFUFTJJOTET-SREIQFSDSA-N 1 1 306.330 -1.749 20 0 DAADMO CN(C)S(=O)(=O)[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624209437 373666669 /nfs/dbraw/zinc/66/66/69/373666669.db2.gz DFGGTAOCCRIDHL-ZETCQYMHSA-N 1 1 301.376 -1.443 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCC[C@H]1Nc1nc(N)nc(N)[nH+]1 ZINC000624187941 373667913 /nfs/dbraw/zinc/66/79/13/373667913.db2.gz QMBTXVFPPVERSW-RNFRBKRXSA-N 1 1 301.376 -1.752 20 0 DAADMO CN(C)S(=O)(=O)[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624209436 373668338 /nfs/dbraw/zinc/66/83/38/373668338.db2.gz DFGGTAOCCRIDHL-SSDOTTSWSA-N 1 1 301.376 -1.443 20 0 DAADMO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624212378 373668559 /nfs/dbraw/zinc/66/85/59/373668559.db2.gz FXKKTKZWYLKXEJ-SFYZADRCSA-N 1 1 315.403 -1.361 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624212376 373668714 /nfs/dbraw/zinc/66/87/14/373668714.db2.gz FXKKTKZWYLKXEJ-HTQZYQBOSA-N 1 1 315.403 -1.361 20 0 DAADMO Nc1nc(N)[nH+]c(N[C@@H]2CCN(c3ccc4nncn4n3)C2)n1 ZINC000624534174 373669604 /nfs/dbraw/zinc/66/96/04/373669604.db2.gz VWLJCQZCEVTIBC-SSDOTTSWSA-N 1 1 313.329 -1.753 20 0 DAADMO NC(=O)C[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000627419085 373675729 /nfs/dbraw/zinc/67/57/29/373675729.db2.gz LYAKIABWJJQPAA-ZETCQYMHSA-N 1 1 308.285 -2.201 20 0 DAADMO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627473377 373682673 /nfs/dbraw/zinc/68/26/73/373682673.db2.gz MHOKKXJJHSWCPJ-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627473377 373682677 /nfs/dbraw/zinc/68/26/77/373682677.db2.gz MHOKKXJJHSWCPJ-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475676 373684888 /nfs/dbraw/zinc/68/48/88/373684888.db2.gz RYDBCKSIWMXRKY-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475676 373684891 /nfs/dbraw/zinc/68/48/91/373684891.db2.gz RYDBCKSIWMXRKY-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)N1CCNC(=O)C1 ZINC000030282475 373690639 /nfs/dbraw/zinc/69/06/39/373690639.db2.gz DNAXJDBDEPLSFY-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2CSCC2=O)CC1 ZINC000058920917 373693278 /nfs/dbraw/zinc/69/32/78/373693278.db2.gz OREINPSPXPZOSL-UHFFFAOYSA-N 1 1 314.411 -1.200 20 0 DAADMO CNC(=O)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000631529968 373695115 /nfs/dbraw/zinc/69/51/15/373695115.db2.gz ROEBHZIGGCYTNI-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000631887755 373698689 /nfs/dbraw/zinc/69/86/89/373698689.db2.gz QFVZCJDXVBOVSP-NSHDSACASA-N 1 1 321.385 -1.103 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000631887755 373698696 /nfs/dbraw/zinc/69/86/96/373698696.db2.gz QFVZCJDXVBOVSP-NSHDSACASA-N 1 1 321.385 -1.103 20 0 DAADMO CN(CCC[NH+](C)C)CCNS(=O)(=O)C[C@H]1CNCCO1 ZINC000631950601 373703238 /nfs/dbraw/zinc/70/32/38/373703238.db2.gz LXYFQYTUHINZBK-CYBMUJFWSA-N 1 1 322.475 -1.222 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000632538542 373721273 /nfs/dbraw/zinc/72/12/73/373721273.db2.gz PADPJIQBCMLYMD-XQQFMLRXSA-N 1 1 319.427 -1.602 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632551563 373721869 /nfs/dbraw/zinc/72/18/69/373721869.db2.gz DQNPOCCSALBEIJ-UWVGGRQHSA-N 1 1 314.429 -1.331 20 0 DAADMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC000632554781 373722783 /nfs/dbraw/zinc/72/27/83/373722783.db2.gz LAUUPLXWBANDFB-UHFFFAOYSA-N 1 1 302.356 -1.332 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N(C)C)CC1=O ZINC000632725627 373724066 /nfs/dbraw/zinc/72/40/66/373724066.db2.gz SGKCNRKYSXDRPT-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000633111194 373730274 /nfs/dbraw/zinc/73/02/74/373730274.db2.gz NJBOTEOEVXJLIY-QNWHQSFQSA-N 1 1 308.382 -1.773 20 0 DAADMO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000633112391 373731408 /nfs/dbraw/zinc/73/14/08/373731408.db2.gz YUXDVGZCHKESFS-HZSPNIEDSA-N 1 1 324.425 -1.006 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000633473110 373733674 /nfs/dbraw/zinc/73/36/74/373733674.db2.gz QCMBMKHRZIJDMN-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000633473110 373733679 /nfs/dbraw/zinc/73/36/79/373733679.db2.gz QCMBMKHRZIJDMN-QWRGUYRKSA-N 1 1 322.431 -1.056 20 0 DAADMO N[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1(F)F ZINC000634291838 373737530 /nfs/dbraw/zinc/73/75/30/373737530.db2.gz AITGYQQPUYCWKM-JTQLQIEISA-N 1 1 324.353 -1.831 20 0 DAADMO N[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1(F)F ZINC000634291839 373738343 /nfs/dbraw/zinc/73/83/43/373738343.db2.gz AITGYQQPUYCWKM-SNVBAGLBSA-N 1 1 324.353 -1.831 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192413466 781962999 /nfs/dbraw/zinc/96/29/99/781962999.db2.gz NLLDQXKUEZEADJ-QJPTWQEYSA-N 1 1 317.386 -1.929 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001192445291 781965019 /nfs/dbraw/zinc/96/50/19/781965019.db2.gz TWMNFYAEAVQEJY-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192445483 781965531 /nfs/dbraw/zinc/96/55/31/781965531.db2.gz YNQNQBCPZYDSGS-CHWSQXEVSA-N 1 1 315.370 -2.365 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001192445483 781965533 /nfs/dbraw/zinc/96/55/33/781965533.db2.gz YNQNQBCPZYDSGS-CHWSQXEVSA-N 1 1 315.370 -2.365 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000444391077 545781459 /nfs/dbraw/zinc/78/14/59/545781459.db2.gz YSAPHSUSSRXDOI-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476625 781966041 /nfs/dbraw/zinc/96/60/41/781966041.db2.gz LSXAMXZYWGDCOW-OPRDCNLKSA-N 1 1 315.326 -2.240 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192493474 781966628 /nfs/dbraw/zinc/96/66/28/781966628.db2.gz BKPYEXZQZNSSMS-CHWSQXEVSA-N 1 1 310.354 -1.811 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192493474 781966638 /nfs/dbraw/zinc/96/66/38/781966638.db2.gz BKPYEXZQZNSSMS-CHWSQXEVSA-N 1 1 310.354 -1.811 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463298 781968448 /nfs/dbraw/zinc/96/84/48/781968448.db2.gz RCUGOPJLKWQERF-OUAUKWLOSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463298 781968456 /nfs/dbraw/zinc/96/84/56/781968456.db2.gz RCUGOPJLKWQERF-OUAUKWLOSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559274 781969120 /nfs/dbraw/zinc/96/91/20/781969120.db2.gz HHMMKIHVUGVQLW-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559274 781969127 /nfs/dbraw/zinc/96/91/27/781969127.db2.gz HHMMKIHVUGVQLW-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001192551767 781969165 /nfs/dbraw/zinc/96/91/65/781969165.db2.gz RULVICASRXANEM-IUCAKERBSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192551767 781969169 /nfs/dbraw/zinc/96/91/69/781969169.db2.gz RULVICASRXANEM-IUCAKERBSA-N 1 1 306.388 -2.058 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550117 781969590 /nfs/dbraw/zinc/96/95/90/781969590.db2.gz DEYHMOVCWFSWLC-JTQLQIEISA-N 1 1 308.342 -1.320 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192550117 781969599 /nfs/dbraw/zinc/96/95/99/781969599.db2.gz DEYHMOVCWFSWLC-JTQLQIEISA-N 1 1 308.342 -1.320 20 0 DAADMO COC(=O)c1ncccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001192507776 781969927 /nfs/dbraw/zinc/96/99/27/781969927.db2.gz LXMASPIJMPUOHR-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCC(O)CC1 ZINC001192571328 781970055 /nfs/dbraw/zinc/97/00/55/781970055.db2.gz NSXIVVDGKVILJT-NWINJMCUSA-N 1 1 316.398 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCC(O)CC1 ZINC001192571328 781970064 /nfs/dbraw/zinc/97/00/64/781970064.db2.gz NSXIVVDGKVILJT-NWINJMCUSA-N 1 1 316.398 -1.292 20 0 DAADMO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000645950432 545788242 /nfs/dbraw/zinc/78/82/42/545788242.db2.gz QGLQXUVFIJOISY-ZDUSSCGKSA-N 1 1 311.430 -1.310 20 0 DAADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000645950432 545788250 /nfs/dbraw/zinc/78/82/50/545788250.db2.gz QGLQXUVFIJOISY-ZDUSSCGKSA-N 1 1 311.430 -1.310 20 0 DAADMO CN1C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000532254200 269706587 /nfs/dbraw/zinc/70/65/87/269706587.db2.gz DJFKUYHHMXTCBR-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408448829 269722263 /nfs/dbraw/zinc/72/22/63/269722263.db2.gz BGZNGASOARJHOB-IAQYHMDHSA-N 1 1 321.381 -1.423 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001192564046 781972166 /nfs/dbraw/zinc/97/21/66/781972166.db2.gz WDPVVPQHKSUSQJ-VXGBXAGGSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001192564046 781972174 /nfs/dbraw/zinc/97/21/74/781972174.db2.gz WDPVVPQHKSUSQJ-VXGBXAGGSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192563486 781972337 /nfs/dbraw/zinc/97/23/37/781972337.db2.gz ISDIUFKAZVJAOY-IWSPIJDZSA-N 1 1 323.296 -1.462 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192563486 781972342 /nfs/dbraw/zinc/97/23/42/781972342.db2.gz ISDIUFKAZVJAOY-IWSPIJDZSA-N 1 1 323.296 -1.462 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001192597908 781972914 /nfs/dbraw/zinc/97/29/14/781972914.db2.gz XMFGZOAAGJYDRG-VIFPVBQESA-N 1 1 321.403 -2.600 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192597908 781972926 /nfs/dbraw/zinc/97/29/26/781972926.db2.gz XMFGZOAAGJYDRG-VIFPVBQESA-N 1 1 321.403 -2.600 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192607607 781973135 /nfs/dbraw/zinc/97/31/35/781973135.db2.gz PZFPSDACLJUIEH-IJLUTSLNSA-N 1 1 313.398 -1.071 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192607607 781973143 /nfs/dbraw/zinc/97/31/43/781973143.db2.gz PZFPSDACLJUIEH-IJLUTSLNSA-N 1 1 313.398 -1.071 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192607069 781973343 /nfs/dbraw/zinc/97/33/43/781973343.db2.gz FYELVYPCXYCCGF-GHMZBOCLSA-N 1 1 314.386 -1.666 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192607069 781973355 /nfs/dbraw/zinc/97/33/55/781973355.db2.gz FYELVYPCXYCCGF-GHMZBOCLSA-N 1 1 314.386 -1.666 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192624459 781974928 /nfs/dbraw/zinc/97/49/28/781974928.db2.gz OWKLRHUOAMNUPI-JHJVBQTASA-N 1 1 309.370 -1.136 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192624459 781974932 /nfs/dbraw/zinc/97/49/32/781974932.db2.gz OWKLRHUOAMNUPI-JHJVBQTASA-N 1 1 309.370 -1.136 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192624093 781975141 /nfs/dbraw/zinc/97/51/41/781975141.db2.gz FCGGQPPBYVMYOB-GMTAPVOTSA-N 1 1 314.342 -1.911 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001192624094 781975367 /nfs/dbraw/zinc/97/53/67/781975367.db2.gz FCGGQPPBYVMYOB-HBNTYKKESA-N 1 1 314.342 -1.911 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)c(=O)n(C)c1=O ZINC001192632388 781975702 /nfs/dbraw/zinc/97/57/02/781975702.db2.gz PKVSVJCNOGBERV-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001192674540 781976557 /nfs/dbraw/zinc/97/65/57/781976557.db2.gz BSDQZFIAJFBPSE-IJLUTSLNSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1O ZINC001192674846 781976600 /nfs/dbraw/zinc/97/66/00/781976600.db2.gz GXOIXANCESBPLR-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)C(N)=O ZINC001192695891 781977522 /nfs/dbraw/zinc/97/75/22/781977522.db2.gz ISGBJCVLQPBQHC-UWVGGRQHSA-N 1 1 313.358 -2.616 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)C(N)=O ZINC001192695891 781977528 /nfs/dbraw/zinc/97/75/28/781977528.db2.gz ISGBJCVLQPBQHC-UWVGGRQHSA-N 1 1 313.358 -2.616 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192687627 781977897 /nfs/dbraw/zinc/97/78/97/781977897.db2.gz JGDIVCPRXHKPRB-NEPJUHHUSA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192640242 781977958 /nfs/dbraw/zinc/97/79/58/781977958.db2.gz UYHVENXAVUHYCP-VXGBXAGGSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001192762364 781978953 /nfs/dbraw/zinc/97/89/53/781978953.db2.gz WZVBCHUOGJHGGF-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001192762364 781978957 /nfs/dbraw/zinc/97/89/57/781978957.db2.gz WZVBCHUOGJHGGF-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192784025 781979179 /nfs/dbraw/zinc/97/91/79/781979179.db2.gz FGRTVBMOOZKFOS-VXGBXAGGSA-N 1 1 302.371 -1.538 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192736029 781980338 /nfs/dbraw/zinc/98/03/38/781980338.db2.gz QTINELOCVFDRLT-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192736029 781980345 /nfs/dbraw/zinc/98/03/45/781980345.db2.gz QTINELOCVFDRLT-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001192759060 781980716 /nfs/dbraw/zinc/98/07/16/781980716.db2.gz NRBVXMVOQYSVHJ-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001192861993 781983928 /nfs/dbraw/zinc/98/39/28/781983928.db2.gz KBKFGKSTAYRZFK-QJPTWQEYSA-N 1 1 314.386 -1.666 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001192794396 781980949 /nfs/dbraw/zinc/98/09/49/781980949.db2.gz ICXXOMMUVGGASC-LOIXOFCESA-N 1 1 324.381 -1.110 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192752274 781981546 /nfs/dbraw/zinc/98/15/46/781981546.db2.gz WKITVCHPRIEFOF-HBNTYKKESA-N 1 1 313.358 -2.176 20 0 DAADMO CC(C)(C)c1cnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001192804047 781981978 /nfs/dbraw/zinc/98/19/78/781981978.db2.gz RLJSOIQZIRXPIK-SDDRHHMPSA-N 1 1 305.386 -1.093 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001192751690 781982103 /nfs/dbraw/zinc/98/21/03/781982103.db2.gz GQWGXVFCKDIXCM-HOSYDEDBSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192751690 781982112 /nfs/dbraw/zinc/98/21/12/781982112.db2.gz GQWGXVFCKDIXCM-HOSYDEDBSA-N 1 1 313.358 -1.920 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001192759061 781982270 /nfs/dbraw/zinc/98/22/70/781982270.db2.gz NRBVXMVOQYSVHJ-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001192794397 781982418 /nfs/dbraw/zinc/98/24/18/781982418.db2.gz ICXXOMMUVGGASC-VTWZXRTESA-N 1 1 324.381 -1.110 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837114 781983011 /nfs/dbraw/zinc/98/30/11/781983011.db2.gz HKZFVSHITPQEJD-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837114 781983021 /nfs/dbraw/zinc/98/30/21/781983021.db2.gz HKZFVSHITPQEJD-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192845420 781983533 /nfs/dbraw/zinc/98/35/33/781983533.db2.gz HZIBKQTYAWSDGD-RKDXNWHRSA-N 1 1 323.357 -1.455 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192845418 781984117 /nfs/dbraw/zinc/98/41/17/781984117.db2.gz HZIBKQTYAWSDGD-DTWKUNHWSA-N 1 1 323.357 -1.455 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836671 781984569 /nfs/dbraw/zinc/98/45/69/781984569.db2.gz BCCJRKVXQHWKLI-KOLCDFICSA-N 1 1 324.381 -1.294 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001192835246 781984741 /nfs/dbraw/zinc/98/47/41/781984741.db2.gz MKFAYVVSKGPULN-YNEHKIRRSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001192835245 781984932 /nfs/dbraw/zinc/98/49/32/781984932.db2.gz MKFAYVVSKGPULN-JHJVBQTASA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001192862208 781986507 /nfs/dbraw/zinc/98/65/07/781986507.db2.gz NLZXEIMRTMLDFT-GHMZBOCLSA-N 1 1 300.359 -2.055 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923381 781987539 /nfs/dbraw/zinc/98/75/39/781987539.db2.gz CDIVKFMQUZFOHS-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923381 781987546 /nfs/dbraw/zinc/98/75/46/781987546.db2.gz CDIVKFMQUZFOHS-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001192924173 781988790 /nfs/dbraw/zinc/98/87/90/781988790.db2.gz BBVOGTAFOVZRAM-OPRDCNLKSA-N 1 1 309.388 -2.532 20 0 DAADMO O=C(CCOCC1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192943371 781988924 /nfs/dbraw/zinc/98/89/24/781988924.db2.gz NAOAXIOKRBHZQC-ZIAGYGMSSA-N 1 1 316.398 -1.027 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193025333 781993473 /nfs/dbraw/zinc/99/34/73/781993473.db2.gz CNLHAFFMOOQTRV-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193025333 781993481 /nfs/dbraw/zinc/99/34/81/781993481.db2.gz CNLHAFFMOOQTRV-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192932161 781990449 /nfs/dbraw/zinc/99/04/49/781990449.db2.gz QRRNJQFFCBMSIU-JHJVBQTASA-N 1 1 318.370 -2.038 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192932161 781990453 /nfs/dbraw/zinc/99/04/53/781990453.db2.gz QRRNJQFFCBMSIU-JHJVBQTASA-N 1 1 318.370 -2.038 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933996 781990610 /nfs/dbraw/zinc/99/06/10/781990610.db2.gz VNWOXEXDCFDVQP-SECBINFHSA-N 1 1 316.387 -1.500 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933996 781990614 /nfs/dbraw/zinc/99/06/14/781990614.db2.gz VNWOXEXDCFDVQP-SECBINFHSA-N 1 1 316.387 -1.500 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001192934033 781990684 /nfs/dbraw/zinc/99/06/84/781990684.db2.gz WERICZXFDLRRAG-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001192934033 781990691 /nfs/dbraw/zinc/99/06/91/781990691.db2.gz WERICZXFDLRRAG-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)NC(N)=O ZINC001192940732 781990910 /nfs/dbraw/zinc/99/09/10/781990910.db2.gz UYJHFBSVIWAUSO-HBNTYKKESA-N 1 1 318.374 -2.397 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933478 781991734 /nfs/dbraw/zinc/99/17/34/781991734.db2.gz JAHILDYBYVCHHT-JGVFFNPUSA-N 1 1 309.330 -1.466 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027328 781992075 /nfs/dbraw/zinc/99/20/75/781992075.db2.gz PPFMIDYELAXUSK-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001193016251 781992237 /nfs/dbraw/zinc/99/22/37/781992237.db2.gz WNFHBQPYIGQRMC-GHMZBOCLSA-N 1 1 300.338 -1.026 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193015962 781993045 /nfs/dbraw/zinc/99/30/45/781993045.db2.gz QFMRFUWAGIWQEC-VXGBXAGGSA-N 1 1 312.374 -1.493 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193015962 781993056 /nfs/dbraw/zinc/99/30/56/781993056.db2.gz QFMRFUWAGIWQEC-VXGBXAGGSA-N 1 1 312.374 -1.493 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193025338 781993245 /nfs/dbraw/zinc/99/32/45/781993245.db2.gz CNLHAFFMOOQTRV-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193025338 781993251 /nfs/dbraw/zinc/99/32/51/781993251.db2.gz CNLHAFFMOOQTRV-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[N@H+]1CCO ZINC000490070046 545795940 /nfs/dbraw/zinc/79/59/40/545795940.db2.gz DAIOAMPZBZWOGZ-NSHDSACASA-N 1 1 309.370 -1.299 20 0 DAADMO C[C@H]1CN(c2ccc(C(=O)NCCO)nn2)CC[N@@H+]1CCO ZINC000490070046 545795928 /nfs/dbraw/zinc/79/59/28/545795928.db2.gz DAIOAMPZBZWOGZ-NSHDSACASA-N 1 1 309.370 -1.299 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001152084907 781994416 /nfs/dbraw/zinc/99/44/16/781994416.db2.gz YQIUCOSYMVZUDF-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 ZINC001193174856 781994867 /nfs/dbraw/zinc/99/48/67/781994867.db2.gz VKQCBBCEHJPLLU-MVWJERBFSA-N 1 1 311.338 -1.449 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000272776990 130062323 /nfs/dbraw/zinc/06/23/23/130062323.db2.gz DEGQBSAWZWIIGK-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000275237912 130300019 /nfs/dbraw/zinc/30/00/19/130300019.db2.gz NSEJALZRTLSBRO-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000284451577 131081803 /nfs/dbraw/zinc/08/18/03/131081803.db2.gz UJSPFADGNKMKCX-RYUDHWBXSA-N 1 1 310.398 -1.029 20 0 DAADMO COC(=O)Cn1cc(CC[N@@H+](C)CC(C)(CO)CO)nn1 ZINC000340196591 131136502 /nfs/dbraw/zinc/13/65/02/131136502.db2.gz YFTAFYBZCUVACU-UHFFFAOYSA-N 1 1 300.359 -1.084 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000285270768 131152515 /nfs/dbraw/zinc/15/25/15/131152515.db2.gz NEYOKFTXFVKYFF-UWVGGRQHSA-N 1 1 324.337 -1.662 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000285270775 131152686 /nfs/dbraw/zinc/15/26/86/131152686.db2.gz NEYOKFTXFVKYFF-ZJUUUORDSA-N 1 1 324.337 -1.662 20 0 DAADMO CCN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC1=O ZINC000285874908 131206809 /nfs/dbraw/zinc/20/68/09/131206809.db2.gz LDEPYIWWHXBYCM-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO OC[C@H](O)CNc1nc(NC[C@@H](O)CO)c2c([nH+]1)CCS2 ZINC000286233281 131225692 /nfs/dbraw/zinc/22/56/92/131225692.db2.gz OHCBENVTDDSHHM-HTQZYQBOSA-N 1 1 316.383 -1.345 20 0 DAADMO C[NH+]1CCN([C@H](C(=O)N[C@@H](CO)C(N)=O)c2ccccc2)CC1 ZINC000286346133 131232122 /nfs/dbraw/zinc/23/21/22/131232122.db2.gz KQZHKJJKRFKSPX-KBPBESRZSA-N 1 1 320.393 -1.063 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCC(N)=O ZINC000286351158 131232248 /nfs/dbraw/zinc/23/22/48/131232248.db2.gz GZJMYJUGTGYODU-ZETCQYMHSA-N 1 1 311.342 -1.955 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCC(N)=O ZINC000286351158 131232249 /nfs/dbraw/zinc/23/22/49/131232249.db2.gz GZJMYJUGTGYODU-ZETCQYMHSA-N 1 1 311.342 -1.955 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000286659534 131245617 /nfs/dbraw/zinc/24/56/17/131245617.db2.gz UNNRVAPJWXFCGW-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000286659534 131245619 /nfs/dbraw/zinc/24/56/19/131245619.db2.gz UNNRVAPJWXFCGW-RKDXNWHRSA-N 1 1 310.354 -1.306 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCn1cccc1 ZINC000287890337 131304565 /nfs/dbraw/zinc/30/45/65/131304565.db2.gz GHLOACANBWOJRH-ZDUSSCGKSA-N 1 1 307.398 -1.034 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000288787980 131339689 /nfs/dbraw/zinc/33/96/89/131339689.db2.gz XGZZVJCHOZQKHC-UHFFFAOYSA-N 1 1 311.386 -1.051 20 0 DAADMO CN(CCCNC(=O)Cn1ccc(=O)[nH]c1=O)CC[NH+](C)C ZINC000288787980 131339690 /nfs/dbraw/zinc/33/96/90/131339690.db2.gz XGZZVJCHOZQKHC-UHFFFAOYSA-N 1 1 311.386 -1.051 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501624 131391578 /nfs/dbraw/zinc/39/15/78/131391578.db2.gz UEVKBONBAOEGQV-DTWKUNHWSA-N 1 1 311.342 -1.045 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501624 131391579 /nfs/dbraw/zinc/39/15/79/131391579.db2.gz UEVKBONBAOEGQV-DTWKUNHWSA-N 1 1 311.342 -1.045 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193088020 781995204 /nfs/dbraw/zinc/99/52/04/781995204.db2.gz OUZPJXQPAZOVBR-MRVPVSSYSA-N 1 1 324.303 -1.056 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193088020 781995214 /nfs/dbraw/zinc/99/52/14/781995214.db2.gz OUZPJXQPAZOVBR-MRVPVSSYSA-N 1 1 324.303 -1.056 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193087452 781995393 /nfs/dbraw/zinc/99/53/93/781995393.db2.gz BXPMULRYGYHCAD-SSDOTTSWSA-N 1 1 310.276 -1.317 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193087452 781995400 /nfs/dbraw/zinc/99/54/00/781995400.db2.gz BXPMULRYGYHCAD-SSDOTTSWSA-N 1 1 310.276 -1.317 20 0 DAADMO COCCOCC[NH+]1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000649898037 545807179 /nfs/dbraw/zinc/80/71/79/545807179.db2.gz ASNDPTSMRFYTPN-UHFFFAOYSA-N 1 1 311.390 -1.523 20 0 DAADMO CCc1nsc(N2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)n1 ZINC000353211271 132079017 /nfs/dbraw/zinc/07/90/17/132079017.db2.gz HMNHXQOXULKKIE-QMMMGPOBSA-N 1 1 312.399 -1.048 20 0 DAADMO CN(CC(=O)N1CC[NH+](CCO)CC1)c1ncnc2nc[nH]c21 ZINC000298890068 132081907 /nfs/dbraw/zinc/08/19/07/132081907.db2.gz PZMPKROQUWISOT-UHFFFAOYSA-N 1 1 319.369 -1.074 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[NH+](C3CC3)CC2)c(=O)n(C)c1=O ZINC000299362254 132101802 /nfs/dbraw/zinc/10/18/02/132101802.db2.gz VUPFTMKDKSBKHV-UHFFFAOYSA-N 1 1 321.381 -1.371 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000568643258 545808161 /nfs/dbraw/zinc/80/81/61/545808161.db2.gz JCKBNLVKUXWQRR-SNVBAGLBSA-N 1 1 324.472 -1.064 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)CCC(N)=O)c2c(=O)n(C)c1=O ZINC000353211886 132127718 /nfs/dbraw/zinc/12/77/18/132127718.db2.gz QZLJMHOHAQPZBK-UHFFFAOYSA-N 1 1 308.342 -1.759 20 0 DAADMO CNC(=O)CC[N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000340676596 132145554 /nfs/dbraw/zinc/14/55/54/132145554.db2.gz AAVGOFVAVWMUKC-UHFFFAOYSA-N 1 1 322.431 -1.548 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340727508 132167338 /nfs/dbraw/zinc/16/73/38/132167338.db2.gz IVSCAIKBKBKQBH-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193141844 781996294 /nfs/dbraw/zinc/99/62/94/781996294.db2.gz VEBSEUWXHIUGDE-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001193147945 781996680 /nfs/dbraw/zinc/99/66/80/781996680.db2.gz ACCVDIWNTGBLKC-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193169635 781996717 /nfs/dbraw/zinc/99/67/17/781996717.db2.gz CBTHVRMOYJNCDI-VIFPVBQESA-N 1 1 324.341 -1.352 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193169635 781996723 /nfs/dbraw/zinc/99/67/23/781996723.db2.gz CBTHVRMOYJNCDI-VIFPVBQESA-N 1 1 324.341 -1.352 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820103 545813221 /nfs/dbraw/zinc/81/32/21/545813221.db2.gz CDXVNVMJYVSZRW-RWMBFGLXSA-N 1 1 313.398 -1.259 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193140937 781997016 /nfs/dbraw/zinc/99/70/16/781997016.db2.gz IVAVIMXXOFWBFB-GMTAPVOTSA-N 1 1 323.415 -2.142 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000656312110 545819164 /nfs/dbraw/zinc/81/91/64/545819164.db2.gz GHQJCTLPGBPPPD-ZOWXZIJZSA-N 1 1 311.382 -1.051 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193167302 781997392 /nfs/dbraw/zinc/99/73/92/781997392.db2.gz SRXZZKXSRUTVLB-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193169634 781997467 /nfs/dbraw/zinc/99/74/67/781997467.db2.gz CBTHVRMOYJNCDI-SECBINFHSA-N 1 1 324.341 -1.352 20 0 DAADMO Cc1nonc1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193169634 781997473 /nfs/dbraw/zinc/99/74/73/781997473.db2.gz CBTHVRMOYJNCDI-SECBINFHSA-N 1 1 324.341 -1.352 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cnnn1C ZINC000657135869 545822650 /nfs/dbraw/zinc/82/26/50/545822650.db2.gz QQJDJRSUXDTINZ-UHFFFAOYSA-N 1 1 318.403 -1.544 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375978 545823581 /nfs/dbraw/zinc/82/35/81/545823581.db2.gz NTCNDBGRDOLVDI-XQHKEYJVSA-N 1 1 321.443 -1.181 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193165079 781997875 /nfs/dbraw/zinc/99/78/75/781997875.db2.gz BZSYEWIPGVRBSH-HBNTYKKESA-N 1 1 303.359 -2.319 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000666101520 545831594 /nfs/dbraw/zinc/83/15/94/545831594.db2.gz DMAHDQUVJYRTGM-WDEREUQCSA-N 1 1 323.415 -1.588 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000666101520 545831596 /nfs/dbraw/zinc/83/15/96/545831596.db2.gz DMAHDQUVJYRTGM-WDEREUQCSA-N 1 1 323.415 -1.588 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193204174 781998737 /nfs/dbraw/zinc/99/87/37/781998737.db2.gz CJCIUSMHNMQXKU-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193204174 781998743 /nfs/dbraw/zinc/99/87/43/781998743.db2.gz CJCIUSMHNMQXKU-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001193169828 781998757 /nfs/dbraw/zinc/99/87/57/781998757.db2.gz GDCSNEIVCVBOPN-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 ZINC001193202443 781998779 /nfs/dbraw/zinc/99/87/79/781998779.db2.gz YLSHVEPKRJNLEV-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193206324 781998949 /nfs/dbraw/zinc/99/89/49/781998949.db2.gz ZJAGGHQHSNLEBB-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193206324 781998955 /nfs/dbraw/zinc/99/89/55/781998955.db2.gz ZJAGGHQHSNLEBB-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193205711 781999078 /nfs/dbraw/zinc/99/90/78/781999078.db2.gz UYQKMCPVOJORFL-WDEREUQCSA-N 1 1 324.385 -1.262 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001152097508 781999468 /nfs/dbraw/zinc/99/94/68/781999468.db2.gz OUDXLYNQNDPUAD-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)n[nH]2)[C@@H]2NCN[C@@H]21 ZINC001193304835 781999855 /nfs/dbraw/zinc/99/98/55/781999855.db2.gz IJOYNRPALPBBKL-PRJMDXOYSA-N 1 1 316.163 -1.695 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001193258901 782000365 /nfs/dbraw/zinc/00/03/65/782000365.db2.gz QQISCOXANOYRAL-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193297599 782000868 /nfs/dbraw/zinc/00/08/68/782000868.db2.gz WNHMNDNZATVBRH-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193297599 782000858 /nfs/dbraw/zinc/00/08/58/782000858.db2.gz WNHMNDNZATVBRH-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193382512 782001875 /nfs/dbraw/zinc/00/18/75/782001875.db2.gz JMXHSSIEVYPAGM-SECBINFHSA-N 1 1 323.357 -1.665 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193382512 782001881 /nfs/dbraw/zinc/00/18/81/782001881.db2.gz JMXHSSIEVYPAGM-SECBINFHSA-N 1 1 323.357 -1.665 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2nnnn2C)[C@H](C)C1 ZINC000673000090 545865605 /nfs/dbraw/zinc/86/56/05/545865605.db2.gz MHXBFFJTWVZUIE-MNOVXSKESA-N 1 1 311.390 -1.151 20 0 DAADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001193400649 782002402 /nfs/dbraw/zinc/00/24/02/782002402.db2.gz ZUAPLWRCKACAGR-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193446997 782002424 /nfs/dbraw/zinc/00/24/24/782002424.db2.gz GTGBQYLWHMHXNP-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001193447369 782003345 /nfs/dbraw/zinc/00/33/45/782003345.db2.gz PQGOEZPWTPRDRU-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001193481881 782004293 /nfs/dbraw/zinc/00/42/93/782004293.db2.gz IAEWBTCDGOAOTN-QJPTWQEYSA-N 1 1 317.386 -1.713 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)S(C)(=O)=O ZINC001193472723 782004107 /nfs/dbraw/zinc/00/41/07/782004107.db2.gz HAXKQWRPNXPANL-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193461173 782005314 /nfs/dbraw/zinc/00/53/14/782005314.db2.gz FXCFJEARRAYBQM-JTQLQIEISA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193461173 782005324 /nfs/dbraw/zinc/00/53/24/782005324.db2.gz FXCFJEARRAYBQM-JTQLQIEISA-N 1 1 322.369 -1.310 20 0 DAADMO CN([C@H]1CCN(C(=O)COCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001193488966 782006109 /nfs/dbraw/zinc/00/61/09/782006109.db2.gz QRXHCUDEIJXWRX-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001193499839 782006253 /nfs/dbraw/zinc/00/62/53/782006253.db2.gz LSSIIAOHUSQNAM-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487509 782006291 /nfs/dbraw/zinc/00/62/91/782006291.db2.gz AHLIJIQYBJCZKG-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487506 782006593 /nfs/dbraw/zinc/00/65/93/782006593.db2.gz AHLIJIQYBJCZKG-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1O ZINC001193544084 782006701 /nfs/dbraw/zinc/00/67/01/782006701.db2.gz GHESPMPYTCSCHD-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001193535739 782007120 /nfs/dbraw/zinc/00/71/20/782007120.db2.gz PFDAMOLHDMEEKC-OPRDCNLKSA-N 1 1 304.347 -2.916 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001193483511 782007150 /nfs/dbraw/zinc/00/71/50/782007150.db2.gz WLIJYOJXVZIXBK-HBNTYKKESA-N 1 1 303.359 -2.367 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001193535737 782007180 /nfs/dbraw/zinc/00/71/80/782007180.db2.gz PFDAMOLHDMEEKC-IVZWLZJFSA-N 1 1 304.347 -2.916 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483045 782007502 /nfs/dbraw/zinc/00/75/02/782007502.db2.gz SWWKCDDFQRZCLO-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488599 782007572 /nfs/dbraw/zinc/00/75/72/782007572.db2.gz INHWKCYOHZBDJI-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193483015 782008279 /nfs/dbraw/zinc/00/82/79/782008279.db2.gz REMGBBBVPHVXGR-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001193545199 782009050 /nfs/dbraw/zinc/00/90/50/782009050.db2.gz VIGFRDDQWCXSNZ-GHMZBOCLSA-N 1 1 302.375 -1.498 20 0 DAADMO O=C(CCCN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193520661 782009398 /nfs/dbraw/zinc/00/93/98/782009398.db2.gz URRJOPIFWUWPBO-GHMZBOCLSA-N 1 1 313.354 -1.931 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001193506965 782009542 /nfs/dbraw/zinc/00/95/42/782009542.db2.gz RZUHUOMBJDTTFP-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001193545304 782009893 /nfs/dbraw/zinc/00/98/93/782009893.db2.gz XBAQSNAMTNFOFI-IJLUTSLNSA-N 1 1 314.386 -1.354 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)CCc3cnc[nH]3)C2)nn1 ZINC001193619728 782010753 /nfs/dbraw/zinc/01/07/53/782010753.db2.gz OPJNCKSFJYYEDY-CHWSQXEVSA-N 1 1 319.369 -1.168 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C(=O)C1=O ZINC000655298972 409329443 /nfs/dbraw/zinc/32/94/43/409329443.db2.gz HPHARAFDXCFVDE-NWDGAFQWSA-N 1 1 324.381 -2.046 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)C(C)(C)C[NH+]1CCOCC1 ZINC000650101148 409320871 /nfs/dbraw/zinc/32/08/71/409320871.db2.gz XGIRREZKKIHHAZ-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000646909587 409324425 /nfs/dbraw/zinc/32/44/25/409324425.db2.gz RTQOEOLSXBQOBQ-JTQLQIEISA-N 1 1 322.369 -1.548 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000646907389 409324938 /nfs/dbraw/zinc/32/49/38/409324938.db2.gz ITHKMFMSJCFLJU-JHJVBQTASA-N 1 1 322.365 -1.519 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)C1 ZINC000647029195 409325513 /nfs/dbraw/zinc/32/55/13/409325513.db2.gz XZTWFHUJVADSIN-WDEREUQCSA-N 1 1 312.370 -1.530 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000646974442 409325792 /nfs/dbraw/zinc/32/57/92/409325792.db2.gz IQHCSMCRIVMOMS-GRYCIOLGSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000646974444 409326633 /nfs/dbraw/zinc/32/66/33/409326633.db2.gz IQHCSMCRIVMOMS-SRVKXCTJSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000646974445 409326913 /nfs/dbraw/zinc/32/69/13/409326913.db2.gz IQHCSMCRIVMOMS-WOPDTQHZSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000646970039 409327161 /nfs/dbraw/zinc/32/71/61/409327161.db2.gz SKSPFYZOOGOPSS-LLVKDONJSA-N 1 1 312.370 -1.529 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298653 409327919 /nfs/dbraw/zinc/32/79/19/409327919.db2.gz BGZDORIYBBREGV-WDEREUQCSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651111222 409362093 /nfs/dbraw/zinc/36/20/93/409362093.db2.gz XVURQFLSKJLUHP-LLVKDONJSA-N 1 1 320.415 -1.662 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651111222 409362099 /nfs/dbraw/zinc/36/20/99/409362099.db2.gz XVURQFLSKJLUHP-LLVKDONJSA-N 1 1 320.415 -1.662 20 0 DAADMO CN1CCN(C(=O)CC(O)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408052495 409362185 /nfs/dbraw/zinc/36/21/85/409362185.db2.gz VGIVUWGSWUWIPF-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000651261708 409363998 /nfs/dbraw/zinc/36/39/98/409363998.db2.gz VQPHDYHCGUJWSB-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000408067066 409364922 /nfs/dbraw/zinc/36/49/22/409364922.db2.gz AOHQRDMTIYEBLH-NXEZZACHSA-N 1 1 323.397 -1.127 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651303723 409365085 /nfs/dbraw/zinc/36/50/85/409365085.db2.gz CYHDYWGOAWOEQO-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651306643 409365177 /nfs/dbraw/zinc/36/51/77/409365177.db2.gz COEUMBJEJMEKBW-GFCCVEGCSA-N 1 1 322.413 -1.257 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000651306643 409365182 /nfs/dbraw/zinc/36/51/82/409365182.db2.gz COEUMBJEJMEKBW-GFCCVEGCSA-N 1 1 322.413 -1.257 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000408088562 409366645 /nfs/dbraw/zinc/36/66/45/409366645.db2.gz KADQKLQDFXHFMY-LLVKDONJSA-N 1 1 304.416 -1.487 20 0 DAADMO CC(C)OCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651424368 409367599 /nfs/dbraw/zinc/36/75/99/409367599.db2.gz WAXSPBBYNMOOON-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(N)=O ZINC000191726957 409367724 /nfs/dbraw/zinc/36/77/24/409367724.db2.gz UZRPNSNCRAHEMD-UHFFFAOYSA-N 1 1 308.342 -1.759 20 0 DAADMO CC[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(N)=O ZINC000191726957 409367728 /nfs/dbraw/zinc/36/77/28/409367728.db2.gz UZRPNSNCRAHEMD-UHFFFAOYSA-N 1 1 308.342 -1.759 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651544568 409369580 /nfs/dbraw/zinc/36/95/80/409369580.db2.gz DKFFVNPHUBHXKV-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000651543120 409370686 /nfs/dbraw/zinc/37/06/86/409370686.db2.gz IQGUUUVQQSFCBE-QWRGUYRKSA-N 1 1 322.431 -1.440 20 0 DAADMO C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000651543120 409370689 /nfs/dbraw/zinc/37/06/89/409370689.db2.gz IQGUUUVQQSFCBE-QWRGUYRKSA-N 1 1 322.431 -1.440 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651544566 409371337 /nfs/dbraw/zinc/37/13/37/409371337.db2.gz DIAJFRYTNIOIBK-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651589913 409373112 /nfs/dbraw/zinc/37/31/12/409373112.db2.gz VQIJQHNFJHLCCH-JTQLQIEISA-N 1 1 305.400 -1.407 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000408140524 409373281 /nfs/dbraw/zinc/37/32/81/409373281.db2.gz SHNOXSLFWZMHBZ-VXGBXAGGSA-N 1 1 314.386 -1.184 20 0 DAADMO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000644813777 409374954 /nfs/dbraw/zinc/37/49/54/409374954.db2.gz ICUZSSISWMDKCE-RYUDHWBXSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000644813777 409374962 /nfs/dbraw/zinc/37/49/62/409374962.db2.gz ICUZSSISWMDKCE-RYUDHWBXSA-N 1 1 301.412 -1.121 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCC(=O)NC2CC2)CC1 ZINC000045106060 409377713 /nfs/dbraw/zinc/37/77/13/409377713.db2.gz NUROBRDIVOIVJH-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000651848439 409379212 /nfs/dbraw/zinc/37/92/12/409379212.db2.gz RODNFXBZJUPWRG-WDEREUQCSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000651848437 409380739 /nfs/dbraw/zinc/38/07/39/409380739.db2.gz RODNFXBZJUPWRG-MNOVXSKESA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(C)(C)O ZINC000651848217 409380813 /nfs/dbraw/zinc/38/08/13/409380813.db2.gz JAXVZNJGKOTPAS-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)N1 ZINC000652379871 409382861 /nfs/dbraw/zinc/38/28/61/409382861.db2.gz RTAOTQNLWZLFLY-GHMZBOCLSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000652390414 409383055 /nfs/dbraw/zinc/38/30/55/409383055.db2.gz OMHHJMWITUWJTJ-QWRGUYRKSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)N1 ZINC000652379872 409383334 /nfs/dbraw/zinc/38/33/34/409383334.db2.gz RTAOTQNLWZLFLY-MNOVXSKESA-N 1 1 305.400 -1.359 20 0 DAADMO NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000652230290 409383759 /nfs/dbraw/zinc/38/37/59/409383759.db2.gz AEAQYNITPVTNMF-GRYCIOLGSA-N 1 1 323.397 -1.144 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC000652390415 409383877 /nfs/dbraw/zinc/38/38/77/409383877.db2.gz OMHHJMWITUWJTJ-WDEREUQCSA-N 1 1 305.400 -1.359 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000652487984 409385275 /nfs/dbraw/zinc/38/52/75/409385275.db2.gz ZIKRGYZLGWGNLQ-QWHCGFSZSA-N 1 1 315.414 -1.108 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000661704509 409386780 /nfs/dbraw/zinc/38/67/80/409386780.db2.gz ILFRCQLVXGVCOK-RFAUZJTJSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(=O)n(C)c1=O ZINC000661704509 409386785 /nfs/dbraw/zinc/38/67/85/409386785.db2.gz ILFRCQLVXGVCOK-RFAUZJTJSA-N 1 1 322.365 -1.183 20 0 DAADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458767 409387445 /nfs/dbraw/zinc/38/74/45/409387445.db2.gz ZGSRYOLKYIDJIP-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458767 409387451 /nfs/dbraw/zinc/38/74/51/409387451.db2.gz ZGSRYOLKYIDJIP-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(N[C@H](CO)CN1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000644885465 409388919 /nfs/dbraw/zinc/38/89/19/409388919.db2.gz OBOGXEYWXHWHOU-UONOGXRCSA-N 1 1 312.414 -1.814 20 0 DAADMO COCC[N@@H+](CCC(=O)N1CCN(C)CC1)[C@@H](C)C(N)=O ZINC000338303408 409390612 /nfs/dbraw/zinc/39/06/12/409390612.db2.gz GLOXEKYQPUFRLK-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000339311359 409391759 /nfs/dbraw/zinc/39/17/59/409391759.db2.gz VSPFTKYPNMRSNL-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CCN1C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000652703242 409398311 /nfs/dbraw/zinc/39/83/11/409398311.db2.gz NSHWYQWCTIKKPO-QMMMGPOBSA-N 1 1 306.313 -1.319 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647805849 409399022 /nfs/dbraw/zinc/39/90/22/409399022.db2.gz GWFZDQDIDAUHID-SNVBAGLBSA-N 1 1 305.400 -1.285 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1=O ZINC000627570567 409335300 /nfs/dbraw/zinc/33/53/00/409335300.db2.gz MXBZZUVSJIYKKO-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CS(=O)(=O)NCCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650619280 409341052 /nfs/dbraw/zinc/34/10/52/409341052.db2.gz DUZCVHFGSFPZRE-SNVBAGLBSA-N 1 1 306.388 -2.004 20 0 DAADMO CS(=O)(=O)NCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650619280 409341054 /nfs/dbraw/zinc/34/10/54/409341054.db2.gz DUZCVHFGSFPZRE-SNVBAGLBSA-N 1 1 306.388 -2.004 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](CO)C1 ZINC000121593964 409343147 /nfs/dbraw/zinc/34/31/47/409343147.db2.gz RPJAWHKTPAIEQE-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](CO)C1 ZINC000121593964 409343152 /nfs/dbraw/zinc/34/31/52/409343152.db2.gz RPJAWHKTPAIEQE-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000443524948 409345656 /nfs/dbraw/zinc/34/56/56/409345656.db2.gz XUDQMIDVXAFKOK-GHMZBOCLSA-N 1 1 320.415 -1.221 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248532873 409345829 /nfs/dbraw/zinc/34/58/29/409345829.db2.gz FQQZQXUQMJBSBK-KXUCPTDWSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248532873 409345832 /nfs/dbraw/zinc/34/58/32/409345832.db2.gz FQQZQXUQMJBSBK-KXUCPTDWSA-N 1 1 324.381 -1.060 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000650830879 409346527 /nfs/dbraw/zinc/34/65/27/409346527.db2.gz MJLLZTKJOBGGDX-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO COCC[N@H+]1CCN(C(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000650830879 409346528 /nfs/dbraw/zinc/34/65/28/409346528.db2.gz MJLLZTKJOBGGDX-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C)c1[nH+]cnc2c1cc(C(=O)NCC(=O)NCCO)n2C ZINC000448263420 409349508 /nfs/dbraw/zinc/34/95/08/409349508.db2.gz KIUQBEPWKSRETC-UHFFFAOYSA-N 1 1 320.353 -1.127 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000407950288 409352817 /nfs/dbraw/zinc/35/28/17/409352817.db2.gz RCXGFINVQQOPBU-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000407950288 409352823 /nfs/dbraw/zinc/35/28/23/409352823.db2.gz RCXGFINVQQOPBU-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000407950487 409354278 /nfs/dbraw/zinc/35/42/78/409354278.db2.gz CRHBXZDDQFMNTQ-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000407950487 409354280 /nfs/dbraw/zinc/35/42/80/409354280.db2.gz CRHBXZDDQFMNTQ-SNVBAGLBSA-N 1 1 313.445 -1.203 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644227883 409356596 /nfs/dbraw/zinc/35/65/96/409356596.db2.gz FBDFZUSZAXFUKQ-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1O ZINC000351777538 409459519 /nfs/dbraw/zinc/45/95/19/409459519.db2.gz FZOQKDLFCISYFE-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCCCO ZINC000276476235 409403137 /nfs/dbraw/zinc/40/31/37/409403137.db2.gz ZMTPPDZUSCWARO-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCCCO ZINC000276476235 409403142 /nfs/dbraw/zinc/40/31/42/409403142.db2.gz ZMTPPDZUSCWARO-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340169324 409404347 /nfs/dbraw/zinc/40/43/47/409404347.db2.gz WQHYQEWSMHAOTJ-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)N1CCNCC1=O)C[NH+]1CCOCC1 ZINC000638091185 409404647 /nfs/dbraw/zinc/40/46/47/409404647.db2.gz REIPVCFBTVNBPM-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000659525690 409407920 /nfs/dbraw/zinc/40/79/20/409407920.db2.gz UEECJDPJTDACDT-ZIAGYGMSSA-N 1 1 322.409 -1.164 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC000329872391 409460203 /nfs/dbraw/zinc/46/02/03/409460203.db2.gz BJBPJFUWDAVZGH-TXEJJXNPSA-N 1 1 301.412 -1.263 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC(=O)NC1CC1 ZINC000341364291 409410428 /nfs/dbraw/zinc/41/04/28/409410428.db2.gz ILTPXZOTVOXEMA-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC(CO)CO)C1 ZINC000341173801 409411210 /nfs/dbraw/zinc/41/12/10/409411210.db2.gz WANPMCWMSSNMPL-SNVBAGLBSA-N 1 1 302.375 -1.774 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cnnn1C ZINC000341622135 409413032 /nfs/dbraw/zinc/41/30/32/409413032.db2.gz KDCQGAJELIKTMA-UHFFFAOYSA-N 1 1 304.420 -1.023 20 0 DAADMO CN(CCCNS(=O)(=O)c1cnnn1C)CC[NH+](C)C ZINC000341622135 409413035 /nfs/dbraw/zinc/41/30/35/409413035.db2.gz KDCQGAJELIKTMA-UHFFFAOYSA-N 1 1 304.420 -1.023 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cn(C)nn2)CC1=O ZINC000425313230 409415992 /nfs/dbraw/zinc/41/59/92/409415992.db2.gz IAOUZIYCICSSQB-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)[N@@H+](C)C1 ZINC000330552980 409416030 /nfs/dbraw/zinc/41/60/30/409416030.db2.gz GCQKXPNWTPQCAM-QWRGUYRKSA-N 1 1 322.431 -1.346 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000330467004 409416269 /nfs/dbraw/zinc/41/62/69/409416269.db2.gz XSGUQXSHFSUZEI-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](O)C1)S(C)(=O)=O ZINC000330440150 409417062 /nfs/dbraw/zinc/41/70/62/409417062.db2.gz PHIMZNMMRYXYHG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](O)C1)S(C)(=O)=O ZINC000330440150 409417068 /nfs/dbraw/zinc/41/70/68/409417068.db2.gz PHIMZNMMRYXYHG-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CO[C@H]1C[C@@H](CO)[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000330553902 409417559 /nfs/dbraw/zinc/41/75/59/409417559.db2.gz UNDZCPJHCQAMLN-QWRGUYRKSA-N 1 1 318.399 -1.220 20 0 DAADMO CO[C@H]1C[C@@H](CO)[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000330553902 409417567 /nfs/dbraw/zinc/41/75/67/409417567.db2.gz UNDZCPJHCQAMLN-QWRGUYRKSA-N 1 1 318.399 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CN3CCCS3(=O)=O)[C@H]2C1 ZINC000328932074 409418137 /nfs/dbraw/zinc/41/81/37/409418137.db2.gz BKYKKYWNMMWZES-RYUDHWBXSA-N 1 1 317.411 -1.047 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000330454732 409418155 /nfs/dbraw/zinc/41/81/55/409418155.db2.gz MPPDBCCTRSEWFM-NSHDSACASA-N 1 1 322.431 -1.487 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000330444007 409418170 /nfs/dbraw/zinc/41/81/70/409418170.db2.gz GEYJGKFILAAZFQ-SNVBAGLBSA-N 1 1 308.404 -1.875 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC000328932072 409418242 /nfs/dbraw/zinc/41/82/42/409418242.db2.gz BKYKKYWNMMWZES-NEPJUHHUSA-N 1 1 317.411 -1.047 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000330470298 409418722 /nfs/dbraw/zinc/41/87/22/409418722.db2.gz AOQPODKXDZCLPJ-NSHDSACASA-N 1 1 321.447 -1.960 20 0 DAADMO C[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000330469304 409418846 /nfs/dbraw/zinc/41/88/46/409418846.db2.gz LHMYERNFXSSGQM-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000330469304 409418848 /nfs/dbraw/zinc/41/88/48/409418848.db2.gz LHMYERNFXSSGQM-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000330453985 409418958 /nfs/dbraw/zinc/41/89/58/409418958.db2.gz LWHJUZRXDDCQDV-UHFFFAOYSA-N 1 1 321.447 -1.864 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000330658658 409419979 /nfs/dbraw/zinc/41/99/79/409419979.db2.gz QSGZTAMPXKNXSM-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)NC)C1 ZINC000330631970 409421589 /nfs/dbraw/zinc/42/15/89/409421589.db2.gz QIFCTQOYFUNESV-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000330631970 409421594 /nfs/dbraw/zinc/42/15/94/409421594.db2.gz QIFCTQOYFUNESV-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000330646352 409421952 /nfs/dbraw/zinc/42/19/52/409421952.db2.gz ZGFYUKVJLGMQBB-QWHCGFSZSA-N 1 1 321.443 -1.307 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000330871449 409423286 /nfs/dbraw/zinc/42/32/86/409423286.db2.gz ZVQBACXSVNQHOL-NSHDSACASA-N 1 1 303.388 -1.674 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H](C)CO ZINC000343288631 409427260 /nfs/dbraw/zinc/42/72/60/409427260.db2.gz RAXNFVOCJRDNSX-GHMZBOCLSA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000425394287 409427983 /nfs/dbraw/zinc/42/79/83/409427983.db2.gz WGOSWSXWLUSLKY-QJPTWQEYSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425395062 409428346 /nfs/dbraw/zinc/42/83/46/409428346.db2.gz XCSLPLGSNQBEEV-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000344633922 409430294 /nfs/dbraw/zinc/43/02/94/409430294.db2.gz RLQIEFKQFUDIIR-CABCVRRESA-N 1 1 309.366 -1.218 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000344760924 409431441 /nfs/dbraw/zinc/43/14/41/409431441.db2.gz BRGAEHOMGBMXIO-VIFPVBQESA-N 1 1 301.372 -1.259 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)C1 ZINC000344719788 409432033 /nfs/dbraw/zinc/43/20/33/409432033.db2.gz PELHOCOBTMPVOC-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)C1 ZINC000344719788 409432038 /nfs/dbraw/zinc/43/20/38/409432038.db2.gz PELHOCOBTMPVOC-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000345512052 409436226 /nfs/dbraw/zinc/43/62/26/409436226.db2.gz KBXXKIUANXLQND-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000345512052 409436229 /nfs/dbraw/zinc/43/62/29/409436229.db2.gz KBXXKIUANXLQND-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000345376020 409436443 /nfs/dbraw/zinc/43/64/43/409436443.db2.gz VBQJPIRAVCNRSL-LLVKDONJSA-N 1 1 308.448 -1.076 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCCN(C)CC[NH+](C)C ZINC000345376020 409436450 /nfs/dbraw/zinc/43/64/50/409436450.db2.gz VBQJPIRAVCNRSL-LLVKDONJSA-N 1 1 308.448 -1.076 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CN2CCOCC2)C1 ZINC000346154614 409439485 /nfs/dbraw/zinc/43/94/85/409439485.db2.gz REBXSPHEIHOMRH-KBPBESRZSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000346579982 409441634 /nfs/dbraw/zinc/44/16/34/409441634.db2.gz WHZRHUAUBLIGLQ-OUAUKWLOSA-N 1 1 312.370 -1.004 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000347793152 409445136 /nfs/dbraw/zinc/44/51/36/409445136.db2.gz LEDVOTYPWHIDNM-UHFFFAOYSA-N 1 1 322.369 -1.440 20 0 DAADMO CCN1CCN(CC(=O)NCC[N@@H+](CC)CCO)C(=O)C1=O ZINC000347793254 409445422 /nfs/dbraw/zinc/44/54/22/409445422.db2.gz MYEOCDZTZHZVNE-UHFFFAOYSA-N 1 1 314.386 -1.893 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347657167 409445966 /nfs/dbraw/zinc/44/59/66/409445966.db2.gz OYZUHMFEPTWKSV-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000351924704 409461579 /nfs/dbraw/zinc/46/15/79/409461579.db2.gz HSDBXCWCCFBVAI-CYBMUJFWSA-N 1 1 317.430 -1.112 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000351924704 409461584 /nfs/dbraw/zinc/46/15/84/409461584.db2.gz HSDBXCWCCFBVAI-CYBMUJFWSA-N 1 1 317.430 -1.112 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000347889812 409448100 /nfs/dbraw/zinc/44/81/00/409448100.db2.gz SCYGZADFHAFRFE-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000347962153 409448293 /nfs/dbraw/zinc/44/82/93/409448293.db2.gz ISUMWNWHJLMIPE-XQQFMLRXSA-N 1 1 312.414 -1.016 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332664069 409461663 /nfs/dbraw/zinc/46/16/63/409461663.db2.gz DYXXDHVFRBZRCG-VIFPVBQESA-N 1 1 312.326 -2.692 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000332664069 409461667 /nfs/dbraw/zinc/46/16/67/409461667.db2.gz DYXXDHVFRBZRCG-VIFPVBQESA-N 1 1 312.326 -2.692 20 0 DAADMO CC(C)N(C[C@H](C)O)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347970087 409448579 /nfs/dbraw/zinc/44/85/79/409448579.db2.gz QFUKTAPJGBBKEE-STQMWFEESA-N 1 1 314.430 -1.034 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H]1CO ZINC000347971960 409449331 /nfs/dbraw/zinc/44/93/31/409449331.db2.gz RMZZDIPMOOXSOD-FRRDWIJNSA-N 1 1 312.414 -1.422 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC000367045343 409450707 /nfs/dbraw/zinc/45/07/07/409450707.db2.gz KTPFFDFJZFCQND-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367060773 409450827 /nfs/dbraw/zinc/45/08/27/409450827.db2.gz RPVDHRAIAOXCGF-GFCCVEGCSA-N 1 1 318.443 -1.180 20 0 DAADMO COC(=O)CN(CC(=O)OC)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000348872238 409451985 /nfs/dbraw/zinc/45/19/85/409451985.db2.gz BXQFNEZJTLKNDF-LLVKDONJSA-N 1 1 315.370 -1.203 20 0 DAADMO COC(=O)CN(CC(=O)OC)C[C@H](O)C[NH+]1CCOCC1 ZINC000314678218 409453478 /nfs/dbraw/zinc/45/34/78/409453478.db2.gz JDBQGBZRPCOFGO-LLVKDONJSA-N 1 1 304.343 -1.673 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCS(N)(=O)=O ZINC000349721143 409453513 /nfs/dbraw/zinc/45/35/13/409453513.db2.gz GVVUNIMWCRHZKY-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000349837452 409454038 /nfs/dbraw/zinc/45/40/38/409454038.db2.gz FFXHVQKPKGSMSZ-UHFFFAOYSA-N 1 1 322.369 -1.139 20 0 DAADMO CNC(=O)CCN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000349663744 409454971 /nfs/dbraw/zinc/45/49/71/409454971.db2.gz RGUUWZMQRLQWTM-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000519407532 409456558 /nfs/dbraw/zinc/45/65/58/409456558.db2.gz NXEGMVFIXAPOFK-VIFPVBQESA-N 1 1 311.354 -1.218 20 0 DAADMO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214457 409467032 /nfs/dbraw/zinc/46/70/32/409467032.db2.gz ZNFRSNLZGMYDDF-BDAKNGLRSA-N 1 1 312.370 -1.060 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214457 409467034 /nfs/dbraw/zinc/46/70/34/409467034.db2.gz ZNFRSNLZGMYDDF-BDAKNGLRSA-N 1 1 312.370 -1.060 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333670779 409468037 /nfs/dbraw/zinc/46/80/37/409468037.db2.gz COHGOZKNKWVRFN-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332667266 409462770 /nfs/dbraw/zinc/46/27/70/409462770.db2.gz YNDGXKLKBHFCFJ-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000351938117 409464180 /nfs/dbraw/zinc/46/41/80/409464180.db2.gz PLXXUKNOMWMCKZ-GFCCVEGCSA-N 1 1 313.398 -1.258 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000351938117 409464186 /nfs/dbraw/zinc/46/41/86/409464186.db2.gz PLXXUKNOMWMCKZ-GFCCVEGCSA-N 1 1 313.398 -1.258 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000333378893 409464311 /nfs/dbraw/zinc/46/43/11/409464311.db2.gz KEYKGCUSFDCWPQ-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000652886798 409471793 /nfs/dbraw/zinc/47/17/93/409471793.db2.gz YSGHXYSZPKKCQK-SNVBAGLBSA-N 1 1 310.354 -1.406 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000652886798 409471798 /nfs/dbraw/zinc/47/17/98/409471798.db2.gz YSGHXYSZPKKCQK-SNVBAGLBSA-N 1 1 310.354 -1.406 20 0 DAADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000353574761 409473942 /nfs/dbraw/zinc/47/39/42/409473942.db2.gz DAEBBZAMWBYTGS-OLZOCXBDSA-N 1 1 311.430 -1.182 20 0 DAADMO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214460 409468753 /nfs/dbraw/zinc/46/87/53/409468753.db2.gz ZNFRSNLZGMYDDF-DTWKUNHWSA-N 1 1 312.370 -1.060 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214460 409468758 /nfs/dbraw/zinc/46/87/58/409468758.db2.gz ZNFRSNLZGMYDDF-DTWKUNHWSA-N 1 1 312.370 -1.060 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000354136216 409477527 /nfs/dbraw/zinc/47/75/27/409477527.db2.gz BACJAGZMVLMZPE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cnnn2C)CC1=O ZINC000354138073 409477845 /nfs/dbraw/zinc/47/78/45/409477845.db2.gz HFQGJNDLZXWGCZ-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)nn1 ZINC000355072945 409479322 /nfs/dbraw/zinc/47/93/22/409479322.db2.gz YSNNUPHNKFOSJV-VIFPVBQESA-N 1 1 322.325 -1.137 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)nn1 ZINC000355072945 409479327 /nfs/dbraw/zinc/47/93/27/409479327.db2.gz YSNNUPHNKFOSJV-VIFPVBQESA-N 1 1 322.325 -1.137 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000355122724 409480547 /nfs/dbraw/zinc/48/05/47/409480547.db2.gz ACUSIYDYALFQKJ-GHMZBOCLSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000353765862 409475095 /nfs/dbraw/zinc/47/50/95/409475095.db2.gz HWKNOYQDBFPNJO-GHMZBOCLSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000353765862 409475099 /nfs/dbraw/zinc/47/50/99/409475099.db2.gz HWKNOYQDBFPNJO-GHMZBOCLSA-N 1 1 305.400 -1.013 20 0 DAADMO CN(CCCNC(=O)C[N@H+](C)C1CC(O)C1)S(C)(=O)=O ZINC000353465326 409475235 /nfs/dbraw/zinc/47/52/35/409475235.db2.gz DMWKZKMJVJWEEY-UHFFFAOYSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(CCCNC(=O)C[N@@H+](C)C1CC(O)C1)S(C)(=O)=O ZINC000353465326 409475240 /nfs/dbraw/zinc/47/52/40/409475240.db2.gz DMWKZKMJVJWEEY-UHFFFAOYSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000353799524 409475803 /nfs/dbraw/zinc/47/58/03/409475803.db2.gz DOPUFMKKKGBXKY-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000353799524 409475805 /nfs/dbraw/zinc/47/58/05/409475805.db2.gz DOPUFMKKKGBXKY-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114676650 409476011 /nfs/dbraw/zinc/47/60/11/409476011.db2.gz DOPKZIBCMZIXPL-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000355598226 409482894 /nfs/dbraw/zinc/48/28/94/409482894.db2.gz PSMUGAZGIMTJAE-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000356803394 409488547 /nfs/dbraw/zinc/48/85/47/409488547.db2.gz MEDVZGRCTRNZII-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000356803394 409488554 /nfs/dbraw/zinc/48/85/54/409488554.db2.gz MEDVZGRCTRNZII-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCOC[C@@H](O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000355946052 409485741 /nfs/dbraw/zinc/48/57/41/409485741.db2.gz GBCSSEYZCYARMU-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000356525010 409486893 /nfs/dbraw/zinc/48/68/93/409486893.db2.gz ZLWKYOCXSFAYCR-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000356525010 409486898 /nfs/dbraw/zinc/48/68/98/409486898.db2.gz ZLWKYOCXSFAYCR-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000358575772 409495796 /nfs/dbraw/zinc/49/57/96/409495796.db2.gz VRWQBZMHVLXTJW-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2cnnc2[C@H]1C ZINC000358573935 409496556 /nfs/dbraw/zinc/49/65/56/409496556.db2.gz OTIIUUWKOPBFNO-LLVKDONJSA-N 1 1 324.385 -1.124 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000358553982 409496774 /nfs/dbraw/zinc/49/67/74/409496774.db2.gz AOPLABAZOIVMFE-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000358581320 409496870 /nfs/dbraw/zinc/49/68/70/409496870.db2.gz XDCFHEXATDLPDZ-OAQYLSRUSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([S@@](C)=O)CC1 ZINC000358581320 409496872 /nfs/dbraw/zinc/49/68/72/409496872.db2.gz XDCFHEXATDLPDZ-OAQYLSRUSA-N 1 1 319.427 -1.292 20 0 DAADMO COC(=O)c1cn(CCNC(=O)[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000356897208 409491019 /nfs/dbraw/zinc/49/10/19/409491019.db2.gz SYJVJGBYIGFLNK-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2ncnc2C1 ZINC000357581418 409492320 /nfs/dbraw/zinc/49/23/20/409492320.db2.gz RYGFJMNBSWQFIY-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000357469740 409493038 /nfs/dbraw/zinc/49/30/38/409493038.db2.gz GMFANJZDDWOHDM-LLVKDONJSA-N 1 1 312.374 -1.523 20 0 DAADMO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428490915 409555745 /nfs/dbraw/zinc/55/57/45/409555745.db2.gz QGVRQHZPGUGPPJ-LOWVWBTDSA-N 1 1 313.398 -1.213 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426491760 409556345 /nfs/dbraw/zinc/55/63/45/409556345.db2.gz JXETUZHCPCNMLH-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426491760 409556360 /nfs/dbraw/zinc/55/63/60/409556360.db2.gz JXETUZHCPCNMLH-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000515308526 409559645 /nfs/dbraw/zinc/55/96/45/409559645.db2.gz OSYIAHUCTJPWTH-CYBMUJFWSA-N 1 1 301.343 -1.322 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[NH+](C)CC1 ZINC000429183672 409562802 /nfs/dbraw/zinc/56/28/02/409562802.db2.gz OYIVFYIAJJDRTD-UHFFFAOYSA-N 1 1 307.420 -1.224 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCN(S(N)(=O)=O)CC2)CC1 ZINC000429675368 409566114 /nfs/dbraw/zinc/56/61/14/409566114.db2.gz GFZLTOAPYPRFOV-UHFFFAOYSA-N 1 1 319.431 -2.028 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000648111044 409497666 /nfs/dbraw/zinc/49/76/66/409497666.db2.gz PLBIZZPJVVYZEE-VIFPVBQESA-N 1 1 306.313 -1.176 20 0 DAADMO COCC[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000358883406 409498836 /nfs/dbraw/zinc/49/88/36/409498836.db2.gz FQNDNBCQYIMFNJ-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000358883408 409501094 /nfs/dbraw/zinc/50/10/94/409501094.db2.gz FQNDNBCQYIMFNJ-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359490693 409501914 /nfs/dbraw/zinc/50/19/14/409501914.db2.gz LDRLGOVJHGNDQD-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000359511211 409502003 /nfs/dbraw/zinc/50/20/03/409502003.db2.gz VPENBKHLGAYTNH-SECBINFHSA-N 1 1 307.372 -1.581 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](CCC(=O)N(C)CC(=O)OC)CCO1 ZINC000359646956 409502469 /nfs/dbraw/zinc/50/24/69/409502469.db2.gz IMJXUUYCSGJUPD-JTQLQIEISA-N 1 1 301.343 -1.545 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)N(C)CC(=O)OC)CCO1 ZINC000359646956 409502474 /nfs/dbraw/zinc/50/24/74/409502474.db2.gz IMJXUUYCSGJUPD-JTQLQIEISA-N 1 1 301.343 -1.545 20 0 DAADMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000359749728 409505556 /nfs/dbraw/zinc/50/55/56/409505556.db2.gz WACHTHSRWDYEHT-SNVBAGLBSA-N 1 1 303.388 -1.108 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000359749728 409505561 /nfs/dbraw/zinc/50/55/61/409505561.db2.gz WACHTHSRWDYEHT-SNVBAGLBSA-N 1 1 303.388 -1.108 20 0 DAADMO CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360198157 409506138 /nfs/dbraw/zinc/50/61/38/409506138.db2.gz JSQNFQBUCKTDHH-NSHDSACASA-N 1 1 314.411 -1.154 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](O)C[C@@H]2CO)CC1 ZINC000361356045 409508292 /nfs/dbraw/zinc/50/82/92/409508292.db2.gz OXOFSUBNVCDDCF-VXGBXAGGSA-N 1 1 314.386 -1.712 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1CO ZINC000362056708 409510005 /nfs/dbraw/zinc/51/00/05/409510005.db2.gz PQVAXDZAMOBTFH-NWDGAFQWSA-N 1 1 321.443 -1.056 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362074748 409510783 /nfs/dbraw/zinc/51/07/83/409510783.db2.gz AZXIDVGGVXSNMV-LBPRGKRZSA-N 1 1 316.427 -1.520 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1CO ZINC000362069956 409510907 /nfs/dbraw/zinc/51/09/07/409510907.db2.gz VOYLJMZSFIPLSD-DTWKUNHWSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1CO ZINC000362069956 409510912 /nfs/dbraw/zinc/51/09/12/409510912.db2.gz VOYLJMZSFIPLSD-DTWKUNHWSA-N 1 1 310.354 -1.591 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](CCCN1C(=O)CNC1=O)C1CC1 ZINC000361390137 409511101 /nfs/dbraw/zinc/51/11/01/409511101.db2.gz LIXSSSUARLMNAO-UHFFFAOYSA-N 1 1 318.399 -1.058 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220766 409512377 /nfs/dbraw/zinc/51/23/77/409512377.db2.gz SKZDXTWNAOLCLD-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 ZINC000371220766 409512378 /nfs/dbraw/zinc/51/23/78/409512378.db2.gz SKZDXTWNAOLCLD-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000369949780 409512520 /nfs/dbraw/zinc/51/25/20/409512520.db2.gz AFQYTZVBECAOBS-SNVBAGLBSA-N 1 1 306.388 -1.945 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000369949780 409512524 /nfs/dbraw/zinc/51/25/24/409512524.db2.gz AFQYTZVBECAOBS-SNVBAGLBSA-N 1 1 306.388 -1.945 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027500 409512582 /nfs/dbraw/zinc/51/25/82/409512582.db2.gz IQHXZIWUTFNGGX-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001193593837 782012054 /nfs/dbraw/zinc/01/20/54/782012054.db2.gz MXDJYIOXTOEKFD-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001193593837 782012062 /nfs/dbraw/zinc/01/20/62/782012062.db2.gz MXDJYIOXTOEKFD-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO O=C(NCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccn[nH]1 ZINC000373304104 409515143 /nfs/dbraw/zinc/51/51/43/409515143.db2.gz QWCZZQIFLAFKJV-GFCCVEGCSA-N 1 1 306.370 -1.354 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000372694688 409515807 /nfs/dbraw/zinc/51/58/07/409515807.db2.gz XWMMTPQQUJOOKB-OAHLLOKOSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)C1=NN(CCO)C(=O)CC1 ZINC000373676590 409519781 /nfs/dbraw/zinc/51/97/81/409519781.db2.gz PLDPZJOPOOSKSO-UHFFFAOYSA-N 1 1 312.370 -1.204 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000378185034 409524359 /nfs/dbraw/zinc/52/43/59/409524359.db2.gz WNVOPJZOYRYTMV-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000653491083 409526837 /nfs/dbraw/zinc/52/68/37/409526837.db2.gz KHRFSRHSLZZXMH-LBPRGKRZSA-N 1 1 308.448 -1.277 20 0 DAADMO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCN1CCOC ZINC000659700936 409527300 /nfs/dbraw/zinc/52/73/00/409527300.db2.gz XBGABOBWUMABPD-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000653034861 409528753 /nfs/dbraw/zinc/52/87/53/409528753.db2.gz IMLMTVLAFVJFPJ-JTQLQIEISA-N 1 1 323.401 -1.073 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000653019294 409529077 /nfs/dbraw/zinc/52/90/77/409529077.db2.gz VUDXJADKRYIYIX-JTQLQIEISA-N 1 1 323.401 -1.121 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535442 409532528 /nfs/dbraw/zinc/53/25/28/409532528.db2.gz RNLMNJLBLXIGFB-QWHCGFSZSA-N 1 1 323.459 -1.061 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)CCN1CCCS1(=O)=O ZINC000653562730 409534185 /nfs/dbraw/zinc/53/41/85/409534185.db2.gz HOCJVFXCGKSNPH-ZDUSSCGKSA-N 1 1 323.459 -1.107 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000420146503 409536619 /nfs/dbraw/zinc/53/66/19/409536619.db2.gz AGZABTDNGANOQH-SECBINFHSA-N 1 1 318.324 -1.034 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420152307 409536898 /nfs/dbraw/zinc/53/68/98/409536898.db2.gz ONNAYJLMRJUQDI-UHFFFAOYSA-N 1 1 308.329 -1.513 20 0 DAADMO COC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000420166649 409537881 /nfs/dbraw/zinc/53/78/81/409537881.db2.gz IZOBQSACUPKQQL-IUCAKERBSA-N 1 1 309.313 -1.041 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000422503137 409544393 /nfs/dbraw/zinc/54/43/93/409544393.db2.gz MCTBQIWBLJSUFG-LBPRGKRZSA-N 1 1 308.382 -1.207 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000422750461 409548308 /nfs/dbraw/zinc/54/83/08/409548308.db2.gz AYQCPMURDUIWAZ-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C2CCOCC2)c(=O)n(C)c1=O ZINC000533310370 409549500 /nfs/dbraw/zinc/54/95/00/409549500.db2.gz AWHQWOLNQGWEFD-UHFFFAOYSA-N 1 1 310.354 -1.040 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C2CCOCC2)c(=O)n(C)c1=O ZINC000533310370 409549519 /nfs/dbraw/zinc/54/95/19/409549519.db2.gz AWHQWOLNQGWEFD-UHFFFAOYSA-N 1 1 310.354 -1.040 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000496994515 409619780 /nfs/dbraw/zinc/61/97/80/409619780.db2.gz BBUCFRUXLSONAN-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000646449180 409623479 /nfs/dbraw/zinc/62/34/79/409623479.db2.gz JQDARXXDQUODAM-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000646670406 409623718 /nfs/dbraw/zinc/62/37/18/409623718.db2.gz CMFQVASXHBADPI-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CN1CC(=O)NC1=O ZINC000646454441 409623804 /nfs/dbraw/zinc/62/38/04/409623804.db2.gz FUHQKFWHMTTYTQ-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCNCC1 ZINC000646637929 409624052 /nfs/dbraw/zinc/62/40/52/409624052.db2.gz CDHXYQHQSJFEQB-JTQLQIEISA-N 1 1 306.370 -1.352 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CN1CC(=O)NC1=O ZINC000646454442 409626502 /nfs/dbraw/zinc/62/65/02/409626502.db2.gz FUHQKFWHMTTYTQ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+]C(CO)CO)C1 ZINC000516934993 409628269 /nfs/dbraw/zinc/62/82/69/409628269.db2.gz GNJLTXOHVFAODK-CYBMUJFWSA-N 1 1 303.403 -1.598 20 0 DAADMO Cn1cnnc1N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000653817524 409629336 /nfs/dbraw/zinc/62/93/36/409629336.db2.gz CZAGOPNNTYMYFX-CYBMUJFWSA-N 1 1 310.402 -1.370 20 0 DAADMO C[C@H](O)C[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 ZINC000653900172 409637306 /nfs/dbraw/zinc/63/73/06/409637306.db2.gz PPWBGCDNVWBBDG-QMMMGPOBSA-N 1 1 310.354 -1.306 20 0 DAADMO C[C@H](O)C[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC1 ZINC000653900172 409637311 /nfs/dbraw/zinc/63/73/11/409637311.db2.gz PPWBGCDNVWBBDG-QMMMGPOBSA-N 1 1 310.354 -1.306 20 0 DAADMO COC(=O)Cc1nnn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000432734321 409570863 /nfs/dbraw/zinc/57/08/63/409570863.db2.gz RDGZWGHQTPBQJW-GARJFASQSA-N 1 1 313.358 -1.141 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H](O)CN1CCOCC1 ZINC000435538646 409574619 /nfs/dbraw/zinc/57/46/19/409574619.db2.gz XSLBJYHXAQIHEE-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H](O)CN1CCOCC1 ZINC000435538646 409574624 /nfs/dbraw/zinc/57/46/24/409574624.db2.gz XSLBJYHXAQIHEE-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@H](O)CN1CCOCC1 ZINC000434999831 409575348 /nfs/dbraw/zinc/57/53/48/409575348.db2.gz KGEXYDGOTAETSV-LBPRGKRZSA-N 1 1 314.386 -1.401 20 0 DAADMO C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@H](O)CN1CCOCC1 ZINC000434999831 409575361 /nfs/dbraw/zinc/57/53/61/409575361.db2.gz KGEXYDGOTAETSV-LBPRGKRZSA-N 1 1 314.386 -1.401 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CS(=O)(=O)NC)CC1 ZINC000434841500 409575510 /nfs/dbraw/zinc/57/55/10/409575510.db2.gz YWOPJPIBQGYTGH-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434997144 409575983 /nfs/dbraw/zinc/57/59/83/409575983.db2.gz RMOXQPCFZTWCQF-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CS(=O)(=O)NC)CC1 ZINC000434841499 409576756 /nfs/dbraw/zinc/57/67/56/409576756.db2.gz YWOPJPIBQGYTGH-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000659806834 409579541 /nfs/dbraw/zinc/57/95/41/409579541.db2.gz OCPBJPVGBKKCNR-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000659806834 409579544 /nfs/dbraw/zinc/57/95/44/409579544.db2.gz OCPBJPVGBKKCNR-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN1CCN(C)C(=O)C1 ZINC000436092915 409582449 /nfs/dbraw/zinc/58/24/49/409582449.db2.gz RWBQJBFGARZJIH-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000439072958 409582945 /nfs/dbraw/zinc/58/29/45/409582945.db2.gz UZTOJSBRJFENAY-UHFFFAOYSA-N 1 1 318.403 -1.166 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)c(=O)[nH]c1=O ZINC000440554414 409588256 /nfs/dbraw/zinc/58/82/56/409588256.db2.gz DASQOONCLDYAGD-ZDUSSCGKSA-N 1 1 311.342 -1.023 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452103902 409597789 /nfs/dbraw/zinc/59/77/89/409597789.db2.gz LCQQLOGOEINQAI-LLVKDONJSA-N 1 1 323.415 -1.276 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452103902 409597797 /nfs/dbraw/zinc/59/77/97/409597797.db2.gz LCQQLOGOEINQAI-LLVKDONJSA-N 1 1 323.415 -1.276 20 0 DAADMO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256868 409597987 /nfs/dbraw/zinc/59/79/87/409597987.db2.gz PNHMVLNHHPCLBY-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256868 409597997 /nfs/dbraw/zinc/59/79/97/409597997.db2.gz PNHMVLNHHPCLBY-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO CN(CC(=O)N1CC(C[NH+]2CCOCC2)C1)S(C)(=O)=O ZINC000646357083 409608656 /nfs/dbraw/zinc/60/86/56/409608656.db2.gz NGXNXIDYLIZOPB-UHFFFAOYSA-N 1 1 305.400 -1.332 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000494483787 409613345 /nfs/dbraw/zinc/61/33/45/409613345.db2.gz FHSBEHMDLPKNDM-MRVPVSSYSA-N 1 1 308.360 -1.066 20 0 DAADMO COC(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000494073496 409613762 /nfs/dbraw/zinc/61/37/62/409613762.db2.gz ZJLWUONQHIXNMS-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000494486995 409614855 /nfs/dbraw/zinc/61/48/55/409614855.db2.gz SJYZMXKPDFLNBJ-QMMMGPOBSA-N 1 1 308.360 -1.195 20 0 DAADMO CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000659730670 409694880 /nfs/dbraw/zinc/69/48/80/409694880.db2.gz TYHTXHPNUFVDHL-IUCAKERBSA-N 1 1 305.356 -2.654 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](C)C[C@H](O)CN2CCOCC2)C1=O ZINC000659996678 409702306 /nfs/dbraw/zinc/70/23/06/409702306.db2.gz IIPQDBYYZFPHMF-LBPRGKRZSA-N 1 1 314.386 -1.495 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)C1=O ZINC000659980858 409702512 /nfs/dbraw/zinc/70/25/12/409702512.db2.gz APWHDQAYXCPTIS-JTQLQIEISA-N 1 1 318.399 -1.119 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCN1C(=O)CN(C)C1=O ZINC000660096388 409702602 /nfs/dbraw/zinc/70/26/02/409702602.db2.gz SQTFQFISMARRIG-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000660096388 409702608 /nfs/dbraw/zinc/70/26/08/409702608.db2.gz SQTFQFISMARRIG-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000659843610 409703423 /nfs/dbraw/zinc/70/34/23/409703423.db2.gz AFMQLWNBBCUJKL-GFCCVEGCSA-N 1 1 308.382 -1.111 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](C)C[C@@H](O)CN2CCOCC2)C1=O ZINC000659996676 409703553 /nfs/dbraw/zinc/70/35/53/409703553.db2.gz IIPQDBYYZFPHMF-GFCCVEGCSA-N 1 1 314.386 -1.495 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000662031989 409707986 /nfs/dbraw/zinc/70/79/86/409707986.db2.gz HRFHLLYXZHVLPW-UWVGGRQHSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000662031989 409707995 /nfs/dbraw/zinc/70/79/95/409707995.db2.gz HRFHLLYXZHVLPW-UWVGGRQHSA-N 1 1 322.365 -1.183 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(COC2)C1 ZINC000662074317 409709600 /nfs/dbraw/zinc/70/96/00/409709600.db2.gz HCYWLOQTJIPDKF-SECBINFHSA-N 1 1 322.365 -1.040 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC2(COC2)C1 ZINC000662074317 409709610 /nfs/dbraw/zinc/70/96/10/409709610.db2.gz HCYWLOQTJIPDKF-SECBINFHSA-N 1 1 322.365 -1.040 20 0 DAADMO O=C(C[NH2+][C@@]1(CO)COc2ccccc2C1)N1CCNC(=O)C1 ZINC000528651629 409642884 /nfs/dbraw/zinc/64/28/84/409642884.db2.gz NZSNGKFZORFEJQ-INIZCTEOSA-N 1 1 319.361 -1.099 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C)C1 ZINC000648866167 409643415 /nfs/dbraw/zinc/64/34/15/409643415.db2.gz GQDUNJDEMXVPKZ-GRYCIOLGSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@H](C)C1 ZINC000648866167 409643418 /nfs/dbraw/zinc/64/34/18/409643418.db2.gz GQDUNJDEMXVPKZ-GRYCIOLGSA-N 1 1 319.427 -1.066 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000529736643 409648633 /nfs/dbraw/zinc/64/86/33/409648633.db2.gz DEXMKBMZAKXKTB-GHMZBOCLSA-N 1 1 300.359 -1.527 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000529736643 409648636 /nfs/dbraw/zinc/64/86/36/409648636.db2.gz DEXMKBMZAKXKTB-GHMZBOCLSA-N 1 1 300.359 -1.527 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000530291864 409648722 /nfs/dbraw/zinc/64/87/22/409648722.db2.gz ZYEDAYABHFMOEL-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660167760 409653122 /nfs/dbraw/zinc/65/31/22/409653122.db2.gz MHQAMULWMWFBNW-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660167760 409653130 /nfs/dbraw/zinc/65/31/30/409653130.db2.gz MHQAMULWMWFBNW-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279442 409655159 /nfs/dbraw/zinc/65/51/59/409655159.db2.gz PVCCXKGKEDBSHV-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CN1CCN(CC(O)C[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806838 409710861 /nfs/dbraw/zinc/71/08/61/409710861.db2.gz OKRCMUCXYPQOGC-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000576218760 409659804 /nfs/dbraw/zinc/65/98/04/409659804.db2.gz PAZIYBCEHCOMGO-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000658753101 409664403 /nfs/dbraw/zinc/66/44/03/409664403.db2.gz SEFOQLUZRDCUMY-QJPTWQEYSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000658753102 409664540 /nfs/dbraw/zinc/66/45/40/409664540.db2.gz SEFOQLUZRDCUMY-TUAOUCFPSA-N 1 1 313.398 -1.213 20 0 DAADMO Cc1nn(CC(=O)N2CCN(c3[nH+]ccn3C)CC2)c(=O)n1C ZINC000654910280 409669054 /nfs/dbraw/zinc/66/90/54/409669054.db2.gz MZYKNVDAMOQXMD-UHFFFAOYSA-N 1 1 319.369 -1.027 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)c(=O)n1C ZINC000655121901 409669117 /nfs/dbraw/zinc/66/91/17/409669117.db2.gz VTFCBNWJLKNFSC-GFCCVEGCSA-N 1 1 311.386 -1.147 20 0 DAADMO COc1nccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000654908081 409669842 /nfs/dbraw/zinc/66/98/42/409669842.db2.gz MQCFVRREIFXTRJ-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(COC2)C1 ZINC000662074318 409711375 /nfs/dbraw/zinc/71/13/75/409711375.db2.gz HCYWLOQTJIPDKF-VIFPVBQESA-N 1 1 322.365 -1.040 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC2(COC2)C1 ZINC000662074318 409711385 /nfs/dbraw/zinc/71/13/85/409711385.db2.gz HCYWLOQTJIPDKF-VIFPVBQESA-N 1 1 322.365 -1.040 20 0 DAADMO O=C(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCNCC1 ZINC000655961108 409673429 /nfs/dbraw/zinc/67/34/29/409673429.db2.gz GQYULLANCYWOAR-NWDGAFQWSA-N 1 1 311.386 -2.121 20 0 DAADMO O=C(CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCNCC1 ZINC000655961108 409673440 /nfs/dbraw/zinc/67/34/40/409673440.db2.gz GQYULLANCYWOAR-NWDGAFQWSA-N 1 1 311.386 -2.121 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(=O)n1C ZINC000655150076 409674861 /nfs/dbraw/zinc/67/48/61/409674861.db2.gz PLVFSOZZMQBORO-GHMZBOCLSA-N 1 1 311.386 -1.196 20 0 DAADMO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1F ZINC000662964403 409722018 /nfs/dbraw/zinc/72/20/18/409722018.db2.gz AKFKDHLIHBWBSD-IRCOFANPSA-N 1 1 314.361 -1.839 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000663773577 409729290 /nfs/dbraw/zinc/72/92/90/409729290.db2.gz GWWAYBLXBQEYAF-LLVKDONJSA-N 1 1 319.431 -1.128 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000665102623 409734348 /nfs/dbraw/zinc/73/43/48/409734348.db2.gz SQVUMLMSHGXXRV-SNVBAGLBSA-N 1 1 320.415 -1.173 20 0 DAADMO C[N@@H+](CCNC(=O)NCCOCCS(N)(=O)=O)C1CC1 ZINC000665101900 409735376 /nfs/dbraw/zinc/73/53/76/409735376.db2.gz OJLDSTNRAFDWQA-UHFFFAOYSA-N 1 1 308.404 -1.315 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000665009883 409735712 /nfs/dbraw/zinc/73/57/12/409735712.db2.gz SHXRCKZTMQJBCP-UHFFFAOYSA-N 1 1 319.431 -1.057 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000665102622 409736042 /nfs/dbraw/zinc/73/60/42/409736042.db2.gz SQVUMLMSHGXXRV-JTQLQIEISA-N 1 1 320.415 -1.173 20 0 DAADMO COC(=O)c1ccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC000594106860 409766895 /nfs/dbraw/zinc/76/68/95/409766895.db2.gz AZEMQGWFQXGHCQ-VHSXEESVSA-N 1 1 321.337 -0.454 20 0 DAADMO COC(=O)c1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)nn1 ZINC000599785598 409769097 /nfs/dbraw/zinc/76/90/97/409769097.db2.gz ZYAJSENVTTWQCE-VIFPVBQESA-N 1 1 309.326 -0.549 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C)n(C)n2)C1 ZINC000331277367 409771283 /nfs/dbraw/zinc/77/12/83/409771283.db2.gz YOLCNDNDNSLJQT-NSHDSACASA-N 1 1 309.370 -0.496 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)NC1=O ZINC000662766339 409719415 /nfs/dbraw/zinc/71/94/15/409719415.db2.gz JJZDGPPHVVFMBL-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CC(=O)Nc1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001193727118 782013042 /nfs/dbraw/zinc/01/30/42/782013042.db2.gz UINHQBPXBFWAMW-GRYCIOLGSA-N 1 1 305.342 -1.827 20 0 DAADMO C[C@@H](CNC(=O)C(=O)Nc1ccn(C)n1)C[NH+]1CCOCC1 ZINC000350752155 409796674 /nfs/dbraw/zinc/79/66/74/409796674.db2.gz LLFUGCGCCZSJTA-NSHDSACASA-N 1 1 309.370 -0.557 20 0 DAADMO Cn1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000371402161 409803385 /nfs/dbraw/zinc/80/33/85/409803385.db2.gz VEVKEGBNCBLMSQ-NWDGAFQWSA-N 1 1 321.381 -0.584 20 0 DAADMO C[C@](O)(CN=c1nc2[nH][nH]cc-2c(N)n1)C[NH+]1CCOCC1 ZINC000354573829 409805765 /nfs/dbraw/zinc/80/57/65/409805765.db2.gz JFFOHOVDCPPUSU-ZDUSSCGKSA-N 1 1 307.358 -1.196 20 0 DAADMO Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000581677713 409809756 /nfs/dbraw/zinc/80/97/56/409809756.db2.gz LALHJFWNKQEMKJ-VHSXEESVSA-N 1 1 314.353 -1.007 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193718697 782014014 /nfs/dbraw/zinc/01/40/14/782014014.db2.gz KFGMNWWRRBYVKJ-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H]2NCN[C@H]21 ZINC001193700205 782014125 /nfs/dbraw/zinc/01/41/25/782014125.db2.gz KMEFZVJRMQKRNX-TUAOUCFPSA-N 1 1 315.341 -2.205 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193788179 782015066 /nfs/dbraw/zinc/01/50/66/782015066.db2.gz XRFCNHJRGGIROT-NXEZZACHSA-N 1 1 320.415 -1.716 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001193755451 782015088 /nfs/dbraw/zinc/01/50/88/782015088.db2.gz KZHYAQLAJWJSQW-IJLUTSLNSA-N 1 1 324.385 -2.540 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)c(=O)n1C ZINC001193785887 782015253 /nfs/dbraw/zinc/01/52/53/782015253.db2.gz BOUDYFSTZCBGPO-GFCCVEGCSA-N 1 1 311.386 -1.195 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001193755450 782015264 /nfs/dbraw/zinc/01/52/64/782015264.db2.gz KZHYAQLAJWJSQW-GRYCIOLGSA-N 1 1 324.385 -2.540 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)c(=O)n1C ZINC001193785888 782015631 /nfs/dbraw/zinc/01/56/31/782015631.db2.gz BOUDYFSTZCBGPO-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766828 782015937 /nfs/dbraw/zinc/01/59/37/782015937.db2.gz YUQRVYWFUNFSSL-JHJVBQTASA-N 1 1 315.414 -1.361 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001193828017 782017604 /nfs/dbraw/zinc/01/76/04/782017604.db2.gz HETGPJYFGMVORB-ZIAGYGMSSA-N 1 1 322.413 -1.076 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001193806109 782017804 /nfs/dbraw/zinc/01/78/04/782017804.db2.gz ZDXATXLIRIVNEW-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O)C1CCC1 ZINC001193791604 782016356 /nfs/dbraw/zinc/01/63/56/782016356.db2.gz MNIGYLMUHBDGJE-ZIAGYGMSSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875058 782019033 /nfs/dbraw/zinc/01/90/33/782019033.db2.gz BNTCSBQDBFAAMG-CHWSQXEVSA-N 1 1 324.381 -1.020 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875362 782019238 /nfs/dbraw/zinc/01/92/38/782019238.db2.gz QIYUOVISDXBMMS-VXGBXAGGSA-N 1 1 310.354 -1.408 20 0 DAADMO CN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001193829105 782019256 /nfs/dbraw/zinc/01/92/56/782019256.db2.gz WHJNCDNHDJKAFO-HZSPNIEDSA-N 1 1 324.425 -1.137 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O)C1CCC1 ZINC001193821034 782019810 /nfs/dbraw/zinc/01/98/10/782019810.db2.gz BRLFPWPBZBIBEN-HZSPNIEDSA-N 1 1 324.425 -1.089 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961518 782021803 /nfs/dbraw/zinc/02/18/03/782021803.db2.gz SXODHOSFOBTYGD-DGAVXFQQSA-N 1 1 317.430 -1.259 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193960835 782022211 /nfs/dbraw/zinc/02/22/11/782022211.db2.gz DQFWYVRGDDZUAV-NXEZZACHSA-N 1 1 314.342 -1.792 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193960835 782022223 /nfs/dbraw/zinc/02/22/23/782022223.db2.gz DQFWYVRGDDZUAV-NXEZZACHSA-N 1 1 314.342 -1.792 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916746 782022695 /nfs/dbraw/zinc/02/26/95/782022695.db2.gz YIASPAFOKNCTCO-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916746 782022703 /nfs/dbraw/zinc/02/27/03/782022703.db2.gz YIASPAFOKNCTCO-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCNC(N)=O)C1)[C@@H]1CCCNC1=O ZINC001193922065 782022890 /nfs/dbraw/zinc/02/28/90/782022890.db2.gz PZQDXQLQQIHHRD-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000673636657 545867087 /nfs/dbraw/zinc/86/70/87/545867087.db2.gz UZCDJPZBQUBZNF-LLVKDONJSA-N 1 1 320.415 -1.732 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674462765 545867630 /nfs/dbraw/zinc/86/76/30/545867630.db2.gz CFGQYTQBFUOFKI-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000674388222 545868070 /nfs/dbraw/zinc/86/80/70/545868070.db2.gz BTDDXVXMUDGJPL-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000676242007 545871288 /nfs/dbraw/zinc/87/12/88/545871288.db2.gz LTAYLZPHUSZNKM-VHSXEESVSA-N 1 1 308.404 -1.446 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676242007 545871290 /nfs/dbraw/zinc/87/12/90/545871290.db2.gz LTAYLZPHUSZNKM-VHSXEESVSA-N 1 1 308.404 -1.446 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000678529063 545877060 /nfs/dbraw/zinc/87/70/60/545877060.db2.gz HPBQHNAWUJMKPN-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000678529063 545877065 /nfs/dbraw/zinc/87/70/65/545877065.db2.gz HPBQHNAWUJMKPN-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H](NC(=O)NCCN1CCNC(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000679714039 545880205 /nfs/dbraw/zinc/88/02/05/545880205.db2.gz ZJJWJDNIJYTPOG-NWDGAFQWSA-N 1 1 313.402 -1.564 20 0 DAADMO C[C@H](NC(=O)NCCN1CCNC(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000679714039 545880210 /nfs/dbraw/zinc/88/02/10/545880210.db2.gz ZJJWJDNIJYTPOG-NWDGAFQWSA-N 1 1 313.402 -1.564 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000682203057 545886687 /nfs/dbraw/zinc/88/66/87/545886687.db2.gz QBAQGVKZIQVPAB-ZJUUUORDSA-N 1 1 308.404 -1.446 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682203057 545886689 /nfs/dbraw/zinc/88/66/89/545886689.db2.gz QBAQGVKZIQVPAB-ZJUUUORDSA-N 1 1 308.404 -1.446 20 0 DAADMO O=C(Cc1cncs1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193941525 782024370 /nfs/dbraw/zinc/02/43/70/782024370.db2.gz VXZMZQMMVZBGLA-VXGBXAGGSA-N 1 1 315.395 -1.144 20 0 DAADMO O=C(Cc1cncs1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193941525 782024376 /nfs/dbraw/zinc/02/43/76/782024376.db2.gz VXZMZQMMVZBGLA-VXGBXAGGSA-N 1 1 315.395 -1.144 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1ccsn1 ZINC001194017090 782024586 /nfs/dbraw/zinc/02/45/86/782024586.db2.gz ZRHKVEGGHXLFQX-GHMZBOCLSA-N 1 1 301.368 -1.073 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1ccsn1 ZINC001194017090 782024593 /nfs/dbraw/zinc/02/45/93/782024593.db2.gz ZRHKVEGGHXLFQX-GHMZBOCLSA-N 1 1 301.368 -1.073 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089295 782025647 /nfs/dbraw/zinc/02/56/47/782025647.db2.gz DDJXLTSBOSJFNP-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089296 782026090 /nfs/dbraw/zinc/02/60/90/782026090.db2.gz DDJXLTSBOSJFNP-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061402 782026247 /nfs/dbraw/zinc/02/62/47/782026247.db2.gz VMYHBKYTJJMJRR-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992461 782027353 /nfs/dbraw/zinc/02/73/53/782027353.db2.gz OSRMMPCOMCXCCW-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992461 782027360 /nfs/dbraw/zinc/02/73/60/782027360.db2.gz OSRMMPCOMCXCCW-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001148 782027492 /nfs/dbraw/zinc/02/74/92/782027492.db2.gz FHEJARMWWIQSDS-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001194025767 782027195 /nfs/dbraw/zinc/02/71/95/782027195.db2.gz OEVNBXAGBOXGOB-RWMBFGLXSA-N 1 1 304.354 -1.588 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001194089607 782028952 /nfs/dbraw/zinc/02/89/52/782028952.db2.gz LKCGMZFIWTUOGQ-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001194210300 782030731 /nfs/dbraw/zinc/03/07/31/782030731.db2.gz ZEFCNEGWPKUDKU-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001194210300 782030735 /nfs/dbraw/zinc/03/07/35/782030735.db2.gz ZEFCNEGWPKUDKU-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001194244748 782031755 /nfs/dbraw/zinc/03/17/55/782031755.db2.gz YMZOSLXQQYGBBZ-VXGBXAGGSA-N 1 1 314.430 -1.034 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001194244007 782032101 /nfs/dbraw/zinc/03/21/01/782032101.db2.gz HFPQIMFRUFBAGR-CHWSQXEVSA-N 1 1 317.430 -1.113 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001194244019 782033019 /nfs/dbraw/zinc/03/30/19/782033019.db2.gz HWSUTNPOTLICDX-GRYCIOLGSA-N 1 1 312.414 -1.234 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255818 782033046 /nfs/dbraw/zinc/03/30/46/782033046.db2.gz MEZKTYNYTIBMEO-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255818 782033048 /nfs/dbraw/zinc/03/30/48/782033048.db2.gz MEZKTYNYTIBMEO-VIFPVBQESA-N 1 1 323.357 -2.344 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255455 782033435 /nfs/dbraw/zinc/03/34/35/782033435.db2.gz HMPLEINZLARRNM-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255457 782033580 /nfs/dbraw/zinc/03/35/80/782033580.db2.gz HMPLEINZLARRNM-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO O=C(CCOC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194351908 782035818 /nfs/dbraw/zinc/03/58/18/782035818.db2.gz HAGGVJIGMPNCMU-JHJVBQTASA-N 1 1 302.371 -1.274 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2CC)C1 ZINC001194321308 782035851 /nfs/dbraw/zinc/03/58/51/782035851.db2.gz RETPLEIZFDSBMZ-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001194290425 782036221 /nfs/dbraw/zinc/03/62/21/782036221.db2.gz WZZSCBQTFBDGRS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001194090141 782029404 /nfs/dbraw/zinc/02/94/04/782029404.db2.gz UXNYHRMMFQPLDO-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001194090141 782029408 /nfs/dbraw/zinc/02/94/08/782029408.db2.gz UXNYHRMMFQPLDO-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194152036 782029439 /nfs/dbraw/zinc/02/94/39/782029439.db2.gz OMJSQGSOFRNPHT-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001194423960 782036981 /nfs/dbraw/zinc/03/69/81/782036981.db2.gz JOZYPYDBLSDNJC-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001194472627 782037306 /nfs/dbraw/zinc/03/73/06/782037306.db2.gz WZVHRRBRTVKEFU-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001194472627 782037315 /nfs/dbraw/zinc/03/73/15/782037315.db2.gz WZVHRRBRTVKEFU-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC001194471331 782037649 /nfs/dbraw/zinc/03/76/49/782037649.db2.gz KIOJQJSMPAIFMO-SECBINFHSA-N 1 1 324.341 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC001194471331 782037658 /nfs/dbraw/zinc/03/76/58/782037658.db2.gz KIOJQJSMPAIFMO-SECBINFHSA-N 1 1 324.341 -1.020 20 0 DAADMO NS(=O)(=O)N1CCC(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000262716213 262495116 /nfs/dbraw/zinc/49/51/16/262495116.db2.gz SAUBOYOLVJHUKF-UHFFFAOYSA-N 1 1 300.331 -1.388 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000320253413 262498254 /nfs/dbraw/zinc/49/82/54/262498254.db2.gz QFCJDZSQJCFLNX-ZDUSSCGKSA-N 1 1 310.310 -1.473 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000320253413 262498256 /nfs/dbraw/zinc/49/82/56/262498256.db2.gz QFCJDZSQJCFLNX-ZDUSSCGKSA-N 1 1 310.310 -1.473 20 0 DAADMO C[C@H](C(=O)N1CC(OCC(=O)N(C)C)C1)N1CC[NH+](C)CC1 ZINC000332419646 262517989 /nfs/dbraw/zinc/51/79/89/262517989.db2.gz BJEQNUFYLGYIQL-GFCCVEGCSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC(=O)N1 ZINC000332365429 262518005 /nfs/dbraw/zinc/51/80/05/262518005.db2.gz XJOXOZKEYIWSCF-UTUOFQBUSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000332612646 262519484 /nfs/dbraw/zinc/51/94/84/262519484.db2.gz GFOXPIGSDWWARW-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CCN(CC(C)(C)O)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347958280 262548275 /nfs/dbraw/zinc/54/82/75/262548275.db2.gz DWRQDAXWVYATMX-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1cnn(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1=O ZINC000352462527 262559555 /nfs/dbraw/zinc/55/95/55/262559555.db2.gz SGWVOXPQLYWDMG-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO CNC(=O)CCNc1nc(NC)nc(NCCC(=O)NC)[nH+]1 ZINC000359507620 262587993 /nfs/dbraw/zinc/58/79/93/262587993.db2.gz MAFZHGFQHFIMLF-UHFFFAOYSA-N 1 1 310.362 -2.725 20 0 DAADMO CCN(C)C(=O)CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000361688708 262593871 /nfs/dbraw/zinc/59/38/71/262593871.db2.gz BTEMUHJLICXIEM-AWEZNQCLSA-N 1 1 316.402 -1.153 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@@H](CO)NC(=O)C(C)C)CC1 ZINC000362770744 262597795 /nfs/dbraw/zinc/59/77/95/262597795.db2.gz UPJDCQMCUURVKZ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369025873 262602801 /nfs/dbraw/zinc/60/28/01/262602801.db2.gz FXRUNZAMQLWPRZ-GHMZBOCLSA-N 1 1 320.415 -1.302 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378302081 262614304 /nfs/dbraw/zinc/61/43/04/262614304.db2.gz TVJUACYEYTVJHS-ZDUSSCGKSA-N 1 1 310.398 -1.307 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000407997666 262615836 /nfs/dbraw/zinc/61/58/36/262615836.db2.gz XPZFIQZPRDAUDW-JTQLQIEISA-N 1 1 322.431 -1.656 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434978039 262631768 /nfs/dbraw/zinc/63/17/68/262631768.db2.gz LFPZWUQMZIIAPS-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C1 ZINC000444708174 262638576 /nfs/dbraw/zinc/63/85/76/262638576.db2.gz OLSHKCWGBOYHEQ-WOPDTQHZSA-N 1 1 300.355 -1.175 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000447197998 262639638 /nfs/dbraw/zinc/63/96/38/262639638.db2.gz DNCPPTQEVKNMAY-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1ccc(-n2cnnn2)cc1 ZINC000528057127 263219354 /nfs/dbraw/zinc/21/93/54/263219354.db2.gz QPTJZKVGRDATRN-JTQLQIEISA-N 1 1 324.366 -1.071 20 0 DAADMO CNc1nc(N[C@@H](C)CC(N)=O)[nH+]c(N[C@@H](C)CC(N)=O)n1 ZINC000343913774 263220821 /nfs/dbraw/zinc/22/08/21/263220821.db2.gz HFQCWFJJGUIKJS-BQBZGAKWSA-N 1 1 310.362 -2.469 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCCN1C(=O)CNC1=O ZINC000347154660 263220964 /nfs/dbraw/zinc/22/09/64/263220964.db2.gz ZYGMDUOBEQQTPI-UHFFFAOYSA-N 1 1 315.374 -1.458 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000420269105 263222119 /nfs/dbraw/zinc/22/21/19/263222119.db2.gz ICXHJZUETCKJGT-NSHDSACASA-N 1 1 324.433 -2.323 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000339125460 263223388 /nfs/dbraw/zinc/22/33/88/263223388.db2.gz BCAQBEVTFKQUEN-DTWKUNHWSA-N 1 1 321.403 -1.664 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000339125460 263223390 /nfs/dbraw/zinc/22/33/90/263223390.db2.gz BCAQBEVTFKQUEN-DTWKUNHWSA-N 1 1 321.403 -1.664 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000048573916 263225981 /nfs/dbraw/zinc/22/59/81/263225981.db2.gz KOMBVYYMQDFTBZ-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000048573916 263225985 /nfs/dbraw/zinc/22/59/85/263225985.db2.gz KOMBVYYMQDFTBZ-DTWKUNHWSA-N 1 1 306.388 -1.169 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000262027727 263226090 /nfs/dbraw/zinc/22/60/90/263226090.db2.gz XFWGUXNRSYIOOR-VWYCJHECSA-N 1 1 305.400 -1.097 20 0 DAADMO O=C(CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCOCC1 ZINC000362827740 263226155 /nfs/dbraw/zinc/22/61/55/263226155.db2.gz UZQYZDJTHYDCRW-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1)N1CCOCC1 ZINC000362827740 263226156 /nfs/dbraw/zinc/22/61/56/263226156.db2.gz UZQYZDJTHYDCRW-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1)N1CCOCC1 ZINC000362827740 263226157 /nfs/dbraw/zinc/22/61/57/263226157.db2.gz UZQYZDJTHYDCRW-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(NCC[N@@H+]1CC=CCC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000357636382 263227795 /nfs/dbraw/zinc/22/77/95/263227795.db2.gz QJOVJUATPKPPQW-UHFFFAOYSA-N 1 1 308.338 -1.067 20 0 DAADMO O=C(C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)N1CCNC1=O ZINC000434712009 263228767 /nfs/dbraw/zinc/22/87/67/263228767.db2.gz AAOAXHPBAJHAEL-CYBMUJFWSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000336847289 263229599 /nfs/dbraw/zinc/22/95/99/263229599.db2.gz DJPPALCRIDQFAC-UHFFFAOYSA-N 1 1 300.359 -1.077 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189283917 263229688 /nfs/dbraw/zinc/22/96/88/263229688.db2.gz HLAREDNXRLADBG-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000354405206 263230287 /nfs/dbraw/zinc/23/02/87/263230287.db2.gz PVWBJTFQJPTLPT-SRVKXCTJSA-N 1 1 314.386 -1.273 20 0 DAADMO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000330145443 263231129 /nfs/dbraw/zinc/23/11/29/263231129.db2.gz HHZUWBNPDWWWAO-NSHDSACASA-N 1 1 310.354 -2.122 20 0 DAADMO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)N1CCOCC1 ZINC000330145443 263231131 /nfs/dbraw/zinc/23/11/31/263231131.db2.gz HHZUWBNPDWWWAO-NSHDSACASA-N 1 1 310.354 -2.122 20 0 DAADMO COC(=O)COCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000353446437 263231396 /nfs/dbraw/zinc/23/13/96/263231396.db2.gz MUBVNNJTAHBZKB-JTQLQIEISA-N 1 1 301.343 -1.368 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000330801007 263232171 /nfs/dbraw/zinc/23/21/71/263232171.db2.gz DTXQHZHCPRHJOG-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[N@@H+]1CCO ZINC000428164437 263232970 /nfs/dbraw/zinc/23/29/70/263232970.db2.gz ZUYYGZIYNKYIEB-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000428164437 263232971 /nfs/dbraw/zinc/23/29/71/263232971.db2.gz ZUYYGZIYNKYIEB-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCO[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000358546149 263233143 /nfs/dbraw/zinc/23/31/43/263233143.db2.gz PFTDOBIGSZCFBH-YVECIDJPSA-N 1 1 301.387 -1.357 20 0 DAADMO O=C([C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CCNCC1 ZINC000430651301 263233925 /nfs/dbraw/zinc/23/39/25/263233925.db2.gz LLFFTKXESQRFCY-GFCCVEGCSA-N 1 1 323.397 -1.318 20 0 DAADMO O=C([C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)N1CCNCC1 ZINC000430651301 263233926 /nfs/dbraw/zinc/23/39/26/263233926.db2.gz LLFFTKXESQRFCY-GFCCVEGCSA-N 1 1 323.397 -1.318 20 0 DAADMO CCCn1c(N)c(C(=O)C[NH2+]C(CO)CO)c(=O)[nH]c1=O ZINC000518394176 263234040 /nfs/dbraw/zinc/23/40/40/263234040.db2.gz OGOWCXZPWPLLJW-UHFFFAOYSA-N 1 1 300.315 -1.933 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1C ZINC000330683510 263235971 /nfs/dbraw/zinc/23/59/71/263235971.db2.gz ITZKZVOYNZIOOC-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447391232 263238202 /nfs/dbraw/zinc/23/82/02/263238202.db2.gz JCDKAAZLZVGRJZ-MNOVXSKESA-N 1 1 303.359 -1.212 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447391232 263238205 /nfs/dbraw/zinc/23/82/05/263238205.db2.gz JCDKAAZLZVGRJZ-MNOVXSKESA-N 1 1 303.359 -1.212 20 0 DAADMO CC[NH+](CCO)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347174783 263239039 /nfs/dbraw/zinc/23/90/39/263239039.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 1 1 301.435 -1.154 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CN(C)CCN1C ZINC000347174783 263239042 /nfs/dbraw/zinc/23/90/42/263239042.db2.gz WPQQSTIVGIGNPR-CYBMUJFWSA-N 1 1 301.435 -1.154 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432815381 263239336 /nfs/dbraw/zinc/23/93/36/263239336.db2.gz GFSSKUCPVDLNST-MRVPVSSYSA-N 1 1 321.321 -1.253 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000347509925 263240615 /nfs/dbraw/zinc/24/06/15/263240615.db2.gz GRIJNSMTOMQCJP-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CCO1 ZINC000357986041 263240637 /nfs/dbraw/zinc/24/06/37/263240637.db2.gz XTKGXIBEXABHIZ-LLVKDONJSA-N 1 1 323.353 -1.719 20 0 DAADMO CN(C)C(=O)COC1CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000353013993 263240705 /nfs/dbraw/zinc/24/07/05/263240705.db2.gz RNSGBGCFYUFMBH-LBPRGKRZSA-N 1 1 301.387 -1.532 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362650109 263240898 /nfs/dbraw/zinc/24/08/98/263240898.db2.gz SVWYVALPDXGLCK-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000361452137 263241071 /nfs/dbraw/zinc/24/10/71/263241071.db2.gz MHWXPNFSABTWHE-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000361452137 263241074 /nfs/dbraw/zinc/24/10/74/263241074.db2.gz MHWXPNFSABTWHE-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CN1CCOCC1=O ZINC000332640927 263241487 /nfs/dbraw/zinc/24/14/87/263241487.db2.gz ZRBMFQJFPSHSGV-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)CN1CCNCC1=O)CN1CC[NH+](C)CC1 ZINC000431015080 263242355 /nfs/dbraw/zinc/24/23/55/263242355.db2.gz MSDQBXLEQJZXOA-CYBMUJFWSA-N 1 1 311.430 -1.582 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)C[C@H](C)[N@H+]1CCO ZINC000460031629 263244381 /nfs/dbraw/zinc/24/43/81/263244381.db2.gz TUWWBVZNHCNQLP-XQQFMLRXSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)C[C@H](C)[N@@H+]1CCO ZINC000460031629 263244383 /nfs/dbraw/zinc/24/43/83/263244383.db2.gz TUWWBVZNHCNQLP-XQQFMLRXSA-N 1 1 313.398 -1.117 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332087860 263244966 /nfs/dbraw/zinc/24/49/66/263244966.db2.gz JDCYAWGFARQCNX-KBPBESRZSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332087860 263244969 /nfs/dbraw/zinc/24/49/69/263244969.db2.gz JDCYAWGFARQCNX-KBPBESRZSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419189273 263245156 /nfs/dbraw/zinc/24/51/56/263245156.db2.gz PMSBRLDNXRDUFA-IWSPIJDZSA-N 1 1 318.324 -1.178 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416311347 263245547 /nfs/dbraw/zinc/24/55/47/263245547.db2.gz OZYKVXDFZSYEAJ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320811181 263246111 /nfs/dbraw/zinc/24/61/11/263246111.db2.gz IILLOXBVHRCRCH-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320811181 263246113 /nfs/dbraw/zinc/24/61/13/263246113.db2.gz IILLOXBVHRCRCH-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419702781 263246333 /nfs/dbraw/zinc/24/63/33/263246333.db2.gz BYPJGTOSSOUXJG-RWMBFGLXSA-N 1 1 312.414 -1.063 20 0 DAADMO CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000357305368 263249251 /nfs/dbraw/zinc/24/92/51/263249251.db2.gz KETGTSFSZJSRJR-GFCCVEGCSA-N 1 1 318.443 -1.239 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000357305368 263249253 /nfs/dbraw/zinc/24/92/53/263249253.db2.gz KETGTSFSZJSRJR-GFCCVEGCSA-N 1 1 318.443 -1.239 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000358572842 263249639 /nfs/dbraw/zinc/24/96/39/263249639.db2.gz NDBAHCQKAIXCIX-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000330175722 263250404 /nfs/dbraw/zinc/25/04/04/263250404.db2.gz JJBTVONQNVYOID-CYBMUJFWSA-N 1 1 308.386 -1.247 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000330175722 263250406 /nfs/dbraw/zinc/25/04/06/263250406.db2.gz JJBTVONQNVYOID-CYBMUJFWSA-N 1 1 308.386 -1.247 20 0 DAADMO O[C@@H]1CN(c2cc(C3CC3)[nH+]c(N3C[C@H](O)[C@@H](O)C3)n2)C[C@H]1O ZINC000343210321 263252171 /nfs/dbraw/zinc/25/21/71/263252171.db2.gz YOQSCZNLXKPVMA-NDBYEHHHSA-N 1 1 322.365 -1.562 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC000345359053 263252889 /nfs/dbraw/zinc/25/28/89/263252889.db2.gz XHAFWGIMHSQZKM-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CCCNC(=O)CN1C(=O)CN(C)C1=O)CC[NH+](C)C ZINC000345359053 263252891 /nfs/dbraw/zinc/25/28/91/263252891.db2.gz XHAFWGIMHSQZKM-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000358577207 263253472 /nfs/dbraw/zinc/25/34/72/263253472.db2.gz SOUKVHKNCQEVIZ-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO COC(=O)C[C@@]1([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CCOC1 ZINC000362261132 263254775 /nfs/dbraw/zinc/25/47/75/263254775.db2.gz DRFQJTZDWITKEF-HZMBPMFUSA-N 1 1 315.370 -1.109 20 0 DAADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459872318 263254953 /nfs/dbraw/zinc/25/49/53/263254953.db2.gz UVUACPUZAXKFMM-QWHCGFSZSA-N 1 1 313.398 -1.402 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363370625 263255006 /nfs/dbraw/zinc/25/50/06/263255006.db2.gz MXJBMFOQDRXUCO-DCAQKATOSA-N 1 1 305.400 -1.097 20 0 DAADMO CNc1nc(N[C@@H]2CNC(=O)C2)[nH+]c(N[C@@H]2CNC(=O)C2)n1 ZINC000362648055 263255292 /nfs/dbraw/zinc/25/52/92/263255292.db2.gz GTXNYTAJPUXQHV-BQBZGAKWSA-N 1 1 306.330 -3.220 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000514830226 263256140 /nfs/dbraw/zinc/25/61/40/263256140.db2.gz XMDBQFACUQLDFM-AXFHLTTASA-N 1 1 303.359 -1.478 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000514830226 263256141 /nfs/dbraw/zinc/25/61/41/263256141.db2.gz XMDBQFACUQLDFM-AXFHLTTASA-N 1 1 303.359 -1.478 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000345640256 263257045 /nfs/dbraw/zinc/25/70/45/263257045.db2.gz YWMBEKPJRXAZPM-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000346560669 263258804 /nfs/dbraw/zinc/25/88/04/263258804.db2.gz JPCWUVFFAAFURS-SECBINFHSA-N 1 1 322.369 -1.551 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000349640898 263258920 /nfs/dbraw/zinc/25/89/20/263258920.db2.gz VMDLXQURJOKLFO-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000349640898 263258923 /nfs/dbraw/zinc/25/89/23/263258923.db2.gz VMDLXQURJOKLFO-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000361378446 263261005 /nfs/dbraw/zinc/26/10/05/263261005.db2.gz QZYJJEUZJHLMMT-UHFFFAOYSA-N 1 1 318.399 -1.346 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@@H]1C ZINC000410706101 263263645 /nfs/dbraw/zinc/26/36/45/263263645.db2.gz XDKHWTDYUHESRL-RVMXOQNASA-N 1 1 313.398 -1.261 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@@H]1C ZINC000410706101 263263646 /nfs/dbraw/zinc/26/36/46/263263646.db2.gz XDKHWTDYUHESRL-RVMXOQNASA-N 1 1 313.398 -1.261 20 0 DAADMO CCNC(=O)NC(=O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832144 263263705 /nfs/dbraw/zinc/26/37/05/263263705.db2.gz WBUHAZDIBALZDZ-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352022202 263263877 /nfs/dbraw/zinc/26/38/77/263263877.db2.gz OBHIPDFQAHHQBZ-NEPJUHHUSA-N 1 1 301.387 -1.213 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352022202 263263879 /nfs/dbraw/zinc/26/38/79/263263879.db2.gz OBHIPDFQAHHQBZ-NEPJUHHUSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cn(CC(=O)OC)nn2)C1 ZINC000355116487 263265902 /nfs/dbraw/zinc/26/59/02/263265902.db2.gz IDYMUOSCQGVBQN-NSHDSACASA-N 1 1 311.342 -1.212 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCc2cn(CC(=O)OC)nn2)C1 ZINC000355116487 263265903 /nfs/dbraw/zinc/26/59/03/263265903.db2.gz IDYMUOSCQGVBQN-NSHDSACASA-N 1 1 311.342 -1.212 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000378054252 263266320 /nfs/dbraw/zinc/26/63/20/263266320.db2.gz GHXURPZCHDGLAJ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000332149192 263266818 /nfs/dbraw/zinc/26/68/18/263266818.db2.gz NHQKHKSUJRQCIK-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO COCCn1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cn1 ZINC000528054046 263268076 /nfs/dbraw/zinc/26/80/76/263268076.db2.gz MDCWCZHSWVXVII-SNVBAGLBSA-N 1 1 304.372 -1.204 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000439129585 263268197 /nfs/dbraw/zinc/26/81/97/263268197.db2.gz QRRVMPGODRFNCC-LLVKDONJSA-N 1 1 322.431 -1.054 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000276485412 263268552 /nfs/dbraw/zinc/26/85/52/263268552.db2.gz TXXFPDSNIJAROH-CYBMUJFWSA-N 1 1 313.379 -1.113 20 0 DAADMO NC(=O)[C@@]1(O)CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000276485412 263268555 /nfs/dbraw/zinc/26/85/55/263268555.db2.gz TXXFPDSNIJAROH-CYBMUJFWSA-N 1 1 313.379 -1.113 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000408199354 263269116 /nfs/dbraw/zinc/26/91/16/263269116.db2.gz RGDWXCIJJGVGJP-VXGBXAGGSA-N 1 1 307.416 -1.568 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C(C)C ZINC000359422847 263269612 /nfs/dbraw/zinc/26/96/12/263269612.db2.gz HNAIQFNAWLFCKO-SNVBAGLBSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000378610669 263269716 /nfs/dbraw/zinc/26/97/16/263269716.db2.gz MZOLEVSCCMZJCI-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000330955864 263270598 /nfs/dbraw/zinc/27/05/98/263270598.db2.gz JYGIKJYCVKZECI-ZJUUUORDSA-N 1 1 315.395 -1.076 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000428050653 263271043 /nfs/dbraw/zinc/27/10/43/263271043.db2.gz AVEJWSQAQSQVKL-DCAQKATOSA-N 1 1 315.370 -1.111 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000428050653 263271046 /nfs/dbraw/zinc/27/10/46/263271046.db2.gz AVEJWSQAQSQVKL-DCAQKATOSA-N 1 1 315.370 -1.111 20 0 DAADMO COC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000348006672 263271910 /nfs/dbraw/zinc/27/19/10/263271910.db2.gz JKQNULRMJPVQQZ-STQMWFEESA-N 1 1 312.414 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492906797 263272274 /nfs/dbraw/zinc/27/22/74/263272274.db2.gz BWYJQVMNZSYOGW-WAYWQWQTSA-N 1 1 324.381 -1.208 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)nn1 ZINC000331189066 263273384 /nfs/dbraw/zinc/27/33/84/263273384.db2.gz UVAYKCOVYXHLAT-JTQLQIEISA-N 1 1 311.342 -1.410 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)nn1 ZINC000331189066 263273388 /nfs/dbraw/zinc/27/33/88/263273388.db2.gz UVAYKCOVYXHLAT-JTQLQIEISA-N 1 1 311.342 -1.410 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000407947558 263273655 /nfs/dbraw/zinc/27/36/55/263273655.db2.gz GACBMNOAIBQLDH-SNVBAGLBSA-N 1 1 311.429 -1.225 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000407947558 263273657 /nfs/dbraw/zinc/27/36/57/263273657.db2.gz GACBMNOAIBQLDH-SNVBAGLBSA-N 1 1 311.429 -1.225 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CCNCC1=O ZINC000430903951 263274429 /nfs/dbraw/zinc/27/44/29/263274429.db2.gz MYLIHYNSKZBKQY-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC000424994501 263275252 /nfs/dbraw/zinc/27/52/52/263275252.db2.gz YNSBVHYBOARLQR-JTQLQIEISA-N 1 1 302.375 -1.415 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000407984172 263275799 /nfs/dbraw/zinc/27/57/99/263275799.db2.gz WEFRFCYCYCBTTA-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(CC(N)=O)C(=O)C1)[C@H]1CCSC1 ZINC000518111887 263275818 /nfs/dbraw/zinc/27/58/18/263275818.db2.gz QWBYSDFLTPBBFB-JTQLQIEISA-N 1 1 314.411 -1.420 20 0 DAADMO COC[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000420166651 263276613 /nfs/dbraw/zinc/27/66/13/263276613.db2.gz IZOBQSACUPKQQL-RKDXNWHRSA-N 1 1 309.313 -1.041 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000354136215 263277548 /nfs/dbraw/zinc/27/75/48/263277548.db2.gz BACJAGZMVLMZPE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC(=O)NC[C@@H]1C(=O)OC ZINC000517038239 263278072 /nfs/dbraw/zinc/27/80/72/263278072.db2.gz PLBOZIBWBZFMDJ-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000362357117 263278217 /nfs/dbraw/zinc/27/82/17/263278217.db2.gz IDHYXKLVKCPXHA-JTQLQIEISA-N 1 1 321.399 -1.321 20 0 DAADMO COCC[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000344794560 263278288 /nfs/dbraw/zinc/27/82/88/263278288.db2.gz USSZVQDJMCQGCG-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO COCn1nccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000530485374 263279496 /nfs/dbraw/zinc/27/94/96/263279496.db2.gz FMINMPAWAWHIRR-LLVKDONJSA-N 1 1 304.372 -1.168 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000350090620 263280351 /nfs/dbraw/zinc/28/03/51/263280351.db2.gz SYXQMBYIAULYFL-JTQLQIEISA-N 1 1 308.404 -1.756 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000439129586 263280484 /nfs/dbraw/zinc/28/04/84/263280484.db2.gz QRRVMPGODRFNCC-NSHDSACASA-N 1 1 322.431 -1.054 20 0 DAADMO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000444713399 263281230 /nfs/dbraw/zinc/28/12/30/263281230.db2.gz YZDJFKQJTLTRND-KBPBESRZSA-N 1 1 309.366 -1.039 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cn[nH]n2)CC1=O ZINC000354139051 263281253 /nfs/dbraw/zinc/28/12/53/263281253.db2.gz OOHZFKIEVJAXEQ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnn[nH]2)CC1=O ZINC000354139051 263281254 /nfs/dbraw/zinc/28/12/54/263281254.db2.gz OOHZFKIEVJAXEQ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cnn[nH]2)CC1=O ZINC000354139051 263281255 /nfs/dbraw/zinc/28/12/55/263281255.db2.gz OOHZFKIEVJAXEQ-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487093638 263281326 /nfs/dbraw/zinc/28/13/26/263281326.db2.gz CIPIRYZOIFOINR-DCAQKATOSA-N 1 1 318.395 -1.017 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000351666342 263282393 /nfs/dbraw/zinc/28/23/93/263282393.db2.gz RHPXFPYRWYYBRO-UHFFFAOYSA-N 1 1 323.353 -1.056 20 0 DAADMO C[C@](O)(CNC(=O)CN1CCOCC1)C[NH+]1CCOCC1 ZINC000332648956 263283824 /nfs/dbraw/zinc/28/38/24/263283824.db2.gz XZWBCYVAIDHOPG-AWEZNQCLSA-N 1 1 301.387 -1.482 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494481215 263284405 /nfs/dbraw/zinc/28/44/05/263284405.db2.gz DZWMVKIWBCYZJM-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000420148370 263284463 /nfs/dbraw/zinc/28/44/63/263284463.db2.gz FMUNHHHECMCGAN-DTWKUNHWSA-N 1 1 318.324 -1.034 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367060774 263284473 /nfs/dbraw/zinc/28/44/73/263284473.db2.gz RPVDHRAIAOXCGF-LBPRGKRZSA-N 1 1 318.443 -1.180 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)NCC(F)(F)C[NH3+])cn1 ZINC000493442634 263284620 /nfs/dbraw/zinc/28/46/20/263284620.db2.gz NNCPKBQBVLPRPL-UHFFFAOYSA-N 1 1 312.298 -1.072 20 0 DAADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000360188873 263285164 /nfs/dbraw/zinc/28/51/64/263285164.db2.gz NZXKWKIVTTZKDS-JTQLQIEISA-N 1 1 314.411 -1.156 20 0 DAADMO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cn1C ZINC000407991480 263285971 /nfs/dbraw/zinc/28/59/71/263285971.db2.gz VQRNZIRXBMEWAL-UHFFFAOYSA-N 1 1 315.399 -1.219 20 0 DAADMO CC(=O)NC[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429673944 263286113 /nfs/dbraw/zinc/28/61/13/263286113.db2.gz BQCFAGWLNRCUPJ-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357380141 263287216 /nfs/dbraw/zinc/28/72/16/263287216.db2.gz HMKWASCMWLPVOH-SECBINFHSA-N 1 1 307.372 -1.629 20 0 DAADMO CCN1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000420146791 263287256 /nfs/dbraw/zinc/28/72/56/263287256.db2.gz BBPTYEXWIZMWGM-UHFFFAOYSA-N 1 1 306.313 -1.223 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000496994514 263287330 /nfs/dbraw/zinc/28/73/30/263287330.db2.gz BBUCFRUXLSONAN-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358206836 263287568 /nfs/dbraw/zinc/28/75/68/263287568.db2.gz KUTQPGWSELSEMA-VIFPVBQESA-N 1 1 306.388 -1.038 20 0 DAADMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000340906143 263288057 /nfs/dbraw/zinc/28/80/57/263288057.db2.gz AOTFELKETRGKQO-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418914482 263289040 /nfs/dbraw/zinc/28/90/40/263289040.db2.gz FSUYFIDPNTXOPK-OLZOCXBDSA-N 1 1 312.414 -1.063 20 0 DAADMO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734558 263289463 /nfs/dbraw/zinc/28/94/63/263289463.db2.gz QVUUEXUGHCPWGN-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734558 263289464 /nfs/dbraw/zinc/28/94/64/263289464.db2.gz QVUUEXUGHCPWGN-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000519711897 263289482 /nfs/dbraw/zinc/28/94/82/263289482.db2.gz KRYZBWJZCMBXOF-ZDUSSCGKSA-N 1 1 303.366 -1.014 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000345360708 263289721 /nfs/dbraw/zinc/28/97/21/263289721.db2.gz NVDGFJSAEQVIIR-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O)CC[NH+](C)C ZINC000345360708 263289723 /nfs/dbraw/zinc/28/97/23/263289723.db2.gz NVDGFJSAEQVIIR-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)[C@H](C)Nc1nc(NC)[nH+]c(N[C@@H](C)C(=O)NC)n1 ZINC000488783445 263289757 /nfs/dbraw/zinc/28/97/57/263289757.db2.gz NXXIPTIFCKXUPS-BQBZGAKWSA-N 1 1 310.362 -2.728 20 0 DAADMO CNC(=O)[C@H](C)Nc1nc(NC)nc(N[C@@H](C)C(=O)NC)[nH+]1 ZINC000488783445 263289761 /nfs/dbraw/zinc/28/97/61/263289761.db2.gz NXXIPTIFCKXUPS-BQBZGAKWSA-N 1 1 310.362 -2.728 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2cnnc2[C@@H]1C ZINC000358573955 263290496 /nfs/dbraw/zinc/29/04/96/263290496.db2.gz OTIIUUWKOPBFNO-NSHDSACASA-N 1 1 324.385 -1.124 20 0 DAADMO O=c1[nH]c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2c(=O)[nH]1 ZINC000036154964 263290749 /nfs/dbraw/zinc/29/07/49/263290749.db2.gz DOYJVNAYCMWEHH-UHFFFAOYSA-N 1 1 310.335 -1.190 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000330667442 263291696 /nfs/dbraw/zinc/29/16/96/263291696.db2.gz YIRXWNCNVRCPNP-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000331107821 263291757 /nfs/dbraw/zinc/29/17/57/263291757.db2.gz RQVMQXSWIVOGLR-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408448828 263291909 /nfs/dbraw/zinc/29/19/09/263291909.db2.gz BGZNGASOARJHOB-ABAIWWIYSA-N 1 1 321.381 -1.423 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN2CCN(C(C)=O)CC2)C1 ZINC000350951593 263292054 /nfs/dbraw/zinc/29/20/54/263292054.db2.gz QFRQWKBVNDECKG-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN2CCN(C(C)=O)CC2)C1 ZINC000350951593 263292056 /nfs/dbraw/zinc/29/20/56/263292056.db2.gz QFRQWKBVNDECKG-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NCC(=O)OC)CC12COC2 ZINC000451128500 263292113 /nfs/dbraw/zinc/29/21/13/263292113.db2.gz BOIFXLUYADCVTC-JTQLQIEISA-N 1 1 314.338 -1.213 20 0 DAADMO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(=O)OC)CC12COC2 ZINC000451128500 263292116 /nfs/dbraw/zinc/29/21/16/263292116.db2.gz BOIFXLUYADCVTC-JTQLQIEISA-N 1 1 314.338 -1.213 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCO1 ZINC000342653426 263292364 /nfs/dbraw/zinc/29/23/64/263292364.db2.gz WHEXERLKDVPDDH-NSHDSACASA-N 1 1 303.359 -1.788 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000354405197 263292435 /nfs/dbraw/zinc/29/24/35/263292435.db2.gz PVWBJTFQJPTLPT-QJPTWQEYSA-N 1 1 314.386 -1.273 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@@H](C)C1 ZINC000356806405 263294511 /nfs/dbraw/zinc/29/45/11/263294511.db2.gz SXRQQFYAFMNEQG-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@@H](C)C1 ZINC000356806405 263294513 /nfs/dbraw/zinc/29/45/13/263294513.db2.gz SXRQQFYAFMNEQG-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000330691146 263294827 /nfs/dbraw/zinc/29/48/27/263294827.db2.gz YWDYNLGNZMWWRL-JTQLQIEISA-N 1 1 321.399 -1.369 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000330691146 263294829 /nfs/dbraw/zinc/29/48/29/263294829.db2.gz YWDYNLGNZMWWRL-JTQLQIEISA-N 1 1 321.399 -1.369 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000370774554 263295508 /nfs/dbraw/zinc/29/55/08/263295508.db2.gz QCLOHEHDVVDSPH-OQPBUACISA-N 1 1 311.342 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000370774554 263295509 /nfs/dbraw/zinc/29/55/09/263295509.db2.gz QCLOHEHDVVDSPH-OQPBUACISA-N 1 1 311.342 -1.153 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351609208 263295586 /nfs/dbraw/zinc/29/55/86/263295586.db2.gz KIMZDBOSDWQMER-NEPJUHHUSA-N 1 1 320.411 -1.287 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194468994 782037715 /nfs/dbraw/zinc/03/77/15/782037715.db2.gz VJSLNSFIOMXTKQ-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](CO)O1 ZINC000355123653 263296308 /nfs/dbraw/zinc/29/63/08/263296308.db2.gz BIQXHAJWDNWWMK-WZRBSPASSA-N 1 1 311.382 -1.053 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367021563 263296472 /nfs/dbraw/zinc/29/64/72/263296472.db2.gz QLILDAHMASMSIZ-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000358571004 263298036 /nfs/dbraw/zinc/29/80/36/263298036.db2.gz OFMTWBXCZRWTIG-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000343928734 263298168 /nfs/dbraw/zinc/29/81/68/263298168.db2.gz WKPCKAKZIYKZLU-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408034625 263298763 /nfs/dbraw/zinc/29/87/63/263298763.db2.gz GXXKIMBNCLHVFF-QWRGUYRKSA-N 1 1 302.400 -1.734 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000425292570 263298789 /nfs/dbraw/zinc/29/87/89/263298789.db2.gz ZOICUMBHFJKGLC-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000425292570 263298791 /nfs/dbraw/zinc/29/87/91/263298791.db2.gz ZOICUMBHFJKGLC-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000332787542 263299170 /nfs/dbraw/zinc/29/91/70/263299170.db2.gz HZUGYYZAXOZWEK-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[C@H]1CN(C(=O)CNS(=O)(=O)NC)CC[N@H+]1CCOC ZINC000331313782 263299489 /nfs/dbraw/zinc/29/94/89/263299489.db2.gz IAQNDJABRVPOHM-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCNC(C)(C)C2)CCO1 ZINC000423287690 263299877 /nfs/dbraw/zinc/29/98/77/263299877.db2.gz NWCYMWXMKRGRIC-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(CC(N)=O)CC2)CC1 ZINC000054977764 263299973 /nfs/dbraw/zinc/29/99/73/263299973.db2.gz UKUSGZKGTAHYLX-CYBMUJFWSA-N 1 1 311.430 -1.358 20 0 DAADMO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000330643637 263300324 /nfs/dbraw/zinc/30/03/24/263300324.db2.gz RVBNEEGCNZQVBE-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000341103540 263301897 /nfs/dbraw/zinc/30/18/97/263301897.db2.gz GRSTZEWRDGDINP-WDEREUQCSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000341103540 263301898 /nfs/dbraw/zinc/30/18/98/263301898.db2.gz GRSTZEWRDGDINP-WDEREUQCSA-N 1 1 305.400 -1.013 20 0 DAADMO CC(C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359422882 263301946 /nfs/dbraw/zinc/30/19/46/263301946.db2.gz HUURNBLDFDHRQX-VIFPVBQESA-N 1 1 308.404 -1.764 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345523285 263301951 /nfs/dbraw/zinc/30/19/51/263301951.db2.gz URERWXZDNSAVLD-GHMZBOCLSA-N 1 1 302.375 -1.511 20 0 DAADMO CS(=O)(=O)N1CCC[N@@H+](CCCC(=O)NC(N)=O)CC1 ZINC000355742862 263302978 /nfs/dbraw/zinc/30/29/78/263302978.db2.gz ADYANFFCXHGAFM-UHFFFAOYSA-N 1 1 306.388 -1.071 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000447776104 263303245 /nfs/dbraw/zinc/30/32/45/263303245.db2.gz AJYUQDIYOHBHPG-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)S(N)(=O)=O ZINC000343428966 263304545 /nfs/dbraw/zinc/30/45/45/263304545.db2.gz QZDMGBUVKOXICZ-BBBLOLIVSA-N 1 1 320.415 -1.669 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000358457723 263304679 /nfs/dbraw/zinc/30/46/79/263304679.db2.gz SEZNNLONCRISDN-GFCCVEGCSA-N 1 1 313.402 -1.562 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)no1 ZINC000355570744 263305232 /nfs/dbraw/zinc/30/52/32/263305232.db2.gz HVKDYSYZWWHZKD-UHFFFAOYSA-N 1 1 317.371 -1.303 20 0 DAADMO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420159317 263305410 /nfs/dbraw/zinc/30/54/10/263305410.db2.gz ZFOSYMRWLQNKFT-JTQLQIEISA-N 1 1 322.356 -1.124 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341477883 263305414 /nfs/dbraw/zinc/30/54/14/263305414.db2.gz PYULBZRJXXMBBW-RYUDHWBXSA-N 1 1 319.427 -1.402 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000347108882 263305965 /nfs/dbraw/zinc/30/59/65/263305965.db2.gz QTPPNMKLXHZGNX-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000341103537 263306062 /nfs/dbraw/zinc/30/60/62/263306062.db2.gz GRSTZEWRDGDINP-QWRGUYRKSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000341103537 263306064 /nfs/dbraw/zinc/30/60/64/263306064.db2.gz GRSTZEWRDGDINP-QWRGUYRKSA-N 1 1 305.400 -1.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000407998867 263306473 /nfs/dbraw/zinc/30/64/73/263306473.db2.gz SPWDGDQXYYDGQE-MNOVXSKESA-N 1 1 304.416 -1.017 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000358572839 263306856 /nfs/dbraw/zinc/30/68/56/263306856.db2.gz NDBAHCQKAIXCIX-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000332787541 263307552 /nfs/dbraw/zinc/30/75/52/263307552.db2.gz HZUGYYZAXOZWEK-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(Cn1nnc2ccccc2c1=O)N1CC[NH+](CCO)CC1 ZINC000078762611 263307682 /nfs/dbraw/zinc/30/76/82/263307682.db2.gz DPDJLNWVBCOZDT-UHFFFAOYSA-N 1 1 317.349 -1.072 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC[C@](C)(O)C1)S(C)(=O)=O ZINC000331112668 263308659 /nfs/dbraw/zinc/30/86/59/263308659.db2.gz JYHFUNQIVPYZNF-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@H]2C1 ZINC000329034691 263308733 /nfs/dbraw/zinc/30/87/33/263308733.db2.gz QVBSESXJCFINNQ-QWRGUYRKSA-N 1 1 308.338 -1.120 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H](C)N1 ZINC000419774463 263309286 /nfs/dbraw/zinc/30/92/86/263309286.db2.gz JUVZDOTTZWSCFI-TXEJJXNPSA-N 1 1 300.403 -1.110 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408448831 263309652 /nfs/dbraw/zinc/30/96/52/263309652.db2.gz BGZNGASOARJHOB-XHDPSFHLSA-N 1 1 321.381 -1.423 20 0 DAADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000330591847 263310226 /nfs/dbraw/zinc/31/02/26/263310226.db2.gz VRVMODNEFWDAQY-AXFHLTTASA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000330591847 263310228 /nfs/dbraw/zinc/31/02/28/263310228.db2.gz VRVMODNEFWDAQY-AXFHLTTASA-N 1 1 313.354 -1.404 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000519407531 263310327 /nfs/dbraw/zinc/31/03/27/263310327.db2.gz NXEGMVFIXAPOFK-SECBINFHSA-N 1 1 311.354 -1.218 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000407982492 263310341 /nfs/dbraw/zinc/31/03/41/263310341.db2.gz HHHDEDOBZRMKQB-LLVKDONJSA-N 1 1 304.416 -1.487 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)N1CCNC(=O)C1 ZINC000075890071 263310393 /nfs/dbraw/zinc/31/03/93/263310393.db2.gz GJPUDDAOPGGUAH-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)N1CCNC(=O)C1 ZINC000075890071 263310395 /nfs/dbraw/zinc/31/03/95/263310395.db2.gz GJPUDDAOPGGUAH-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000370750292 263311526 /nfs/dbraw/zinc/31/15/26/263311526.db2.gz PFWFRQCLXMCOGB-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000353738210 263312542 /nfs/dbraw/zinc/31/25/42/263312542.db2.gz LLEHLQXBJZDMLH-NSHDSACASA-N 1 1 318.333 -1.056 20 0 DAADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000444708169 263312652 /nfs/dbraw/zinc/31/26/52/263312652.db2.gz OLSHKCWGBOYHEQ-SDDRHHMPSA-N 1 1 300.355 -1.175 20 0 DAADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000444708169 263312654 /nfs/dbraw/zinc/31/26/54/263312654.db2.gz OLSHKCWGBOYHEQ-SDDRHHMPSA-N 1 1 300.355 -1.175 20 0 DAADMO O=C(C(=O)N1CCO[C@H](CO)C1)N1CC[NH+](C2CCC2)CC1 ZINC000518484491 263314236 /nfs/dbraw/zinc/31/42/36/263314236.db2.gz OROLIJJABHFXPT-ZDUSSCGKSA-N 1 1 311.382 -1.097 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000355144165 263316067 /nfs/dbraw/zinc/31/60/67/263316067.db2.gz KBMJPLGREOKXPU-GXSJLCMTSA-N 1 1 310.354 -1.948 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359436461 263316128 /nfs/dbraw/zinc/31/61/28/263316128.db2.gz XFLPGLJGJGRYKD-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2CCO)c(=O)n(C)c1=O ZINC000426272657 263316638 /nfs/dbraw/zinc/31/66/38/263316638.db2.gz ZAPASYMFZGNOJZ-SECBINFHSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2CCO)c(=O)n(C)c1=O ZINC000426272657 263316639 /nfs/dbraw/zinc/31/66/39/263316639.db2.gz ZAPASYMFZGNOJZ-SECBINFHSA-N 1 1 310.354 -1.304 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccn(C)n2)C1 ZINC000343906471 263316703 /nfs/dbraw/zinc/31/67/03/263316703.db2.gz HFYXHAVGXUZLGZ-GFCCVEGCSA-N 1 1 309.370 -1.127 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)CNC1=O ZINC000355534704 263317750 /nfs/dbraw/zinc/31/77/50/263317750.db2.gz PWPKSYSOBNTBCR-UHFFFAOYSA-N 1 1 313.358 -1.440 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000331801955 263318227 /nfs/dbraw/zinc/31/82/27/263318227.db2.gz MAKCYWDYXLJLFE-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262200557 263318665 /nfs/dbraw/zinc/31/86/65/263318665.db2.gz ICRJAFRDAGFWHK-DYEKYZERSA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000345512050 263319559 /nfs/dbraw/zinc/31/95/59/263319559.db2.gz KBXXKIUANXLQND-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000345512050 263319560 /nfs/dbraw/zinc/31/95/60/263319560.db2.gz KBXXKIUANXLQND-GHMZBOCLSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[N@@H+](C)C1CC1 ZINC000359432084 263322125 /nfs/dbraw/zinc/32/21/25/263322125.db2.gz RUBZWIUQGHTQTK-RKDXNWHRSA-N 1 1 320.415 -1.622 20 0 DAADMO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000416589506 263324868 /nfs/dbraw/zinc/32/48/68/263324868.db2.gz RQWOLGNMZCBFSY-LLVKDONJSA-N 1 1 323.415 -1.154 20 0 DAADMO COC(=O)CN1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000331084832 263325410 /nfs/dbraw/zinc/32/54/10/263325410.db2.gz ZHDCQSRZWNAXTO-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456212811 263326580 /nfs/dbraw/zinc/32/65/80/263326580.db2.gz PVSMMBUKHWOKAQ-PHIMTYICSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001194471332 782038345 /nfs/dbraw/zinc/03/83/45/782038345.db2.gz KIOJQJSMPAIFMO-VIFPVBQESA-N 1 1 324.341 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001194471332 782038355 /nfs/dbraw/zinc/03/83/55/782038355.db2.gz KIOJQJSMPAIFMO-VIFPVBQESA-N 1 1 324.341 -1.020 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001194436575 782038378 /nfs/dbraw/zinc/03/83/78/782038378.db2.gz HJLLJFCMAOLETL-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001194436575 782038385 /nfs/dbraw/zinc/03/83/85/782038385.db2.gz HJLLJFCMAOLETL-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194544213 782039699 /nfs/dbraw/zinc/03/96/99/782039699.db2.gz IVHHLTYXNWWEGL-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194544213 782039709 /nfs/dbraw/zinc/03/97/09/782039709.db2.gz IVHHLTYXNWWEGL-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001194437429 782040010 /nfs/dbraw/zinc/04/00/10/782040010.db2.gz VYQAUXXDEPCKMR-DGCLKSJQSA-N 1 1 324.381 -1.065 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194544210 782040876 /nfs/dbraw/zinc/04/08/76/782040876.db2.gz IVHHLTYXNWWEGL-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194544210 782040884 /nfs/dbraw/zinc/04/08/84/782040884.db2.gz IVHHLTYXNWWEGL-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681257 782043196 /nfs/dbraw/zinc/04/31/96/782043196.db2.gz JVFSTSAYUBTUBF-QJPTWQEYSA-N 1 1 302.371 -1.418 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001194643997 782042327 /nfs/dbraw/zinc/04/23/27/782042327.db2.gz FNYKETYAEPSJGE-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194700007 782042816 /nfs/dbraw/zinc/04/28/16/782042816.db2.gz XEHCWEHIYIJBEL-NSHDSACASA-N 1 1 310.354 -1.538 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194700007 782042825 /nfs/dbraw/zinc/04/28/25/782042825.db2.gz XEHCWEHIYIJBEL-NSHDSACASA-N 1 1 310.354 -1.538 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001194720722 782045166 /nfs/dbraw/zinc/04/51/66/782045166.db2.gz NAKRLTGKPQVKIE-CHWSQXEVSA-N 1 1 323.397 -1.123 20 0 DAADMO Cc1[nH]c(=O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1Cl ZINC001194711365 782045225 /nfs/dbraw/zinc/04/52/25/782045225.db2.gz RBIGCFZPGCIIKA-KXUCPTDWSA-N 1 1 312.761 -1.118 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761666 782047634 /nfs/dbraw/zinc/04/76/34/782047634.db2.gz JQWFDLSXMHBBNI-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194761666 782047641 /nfs/dbraw/zinc/04/76/41/782047641.db2.gz JQWFDLSXMHBBNI-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194754830 782047553 /nfs/dbraw/zinc/04/75/53/782047553.db2.gz PZNJIFDXVICMPD-JQWIXIFHSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001194754830 782047559 /nfs/dbraw/zinc/04/75/59/782047559.db2.gz PZNJIFDXVICMPD-JQWIXIFHSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCC[N@H+](CCOCCO)CC1 ZINC001194883672 782048676 /nfs/dbraw/zinc/04/86/76/782048676.db2.gz WXKNTPBLYVTZTP-ZDUSSCGKSA-N 1 1 302.371 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001194798413 782048898 /nfs/dbraw/zinc/04/88/98/782048898.db2.gz JTLIDMGWNFWRIL-YUSALJHKSA-N 1 1 301.318 -1.064 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194847947 782049138 /nfs/dbraw/zinc/04/91/38/782049138.db2.gz SIZKBUSHBWQBHR-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194847492 782049444 /nfs/dbraw/zinc/04/94/44/782049444.db2.gz GJPCWDGSGPKGOX-DGCLKSJQSA-N 1 1 324.381 -1.020 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338344133 277365923 /nfs/dbraw/zinc/36/59/23/277365923.db2.gz FRNCIODRGCUJSH-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)S(N)(=O)=O ZINC001194976101 782051338 /nfs/dbraw/zinc/05/13/38/782051338.db2.gz QYZVIBVFIXRWAJ-OPRDCNLKSA-N 1 1 309.388 -2.403 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)S(N)(=O)=O ZINC001194976101 782051344 /nfs/dbraw/zinc/05/13/44/782051344.db2.gz QYZVIBVFIXRWAJ-OPRDCNLKSA-N 1 1 309.388 -2.403 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)c1=O ZINC001194951871 782052077 /nfs/dbraw/zinc/05/20/77/782052077.db2.gz KBFJIJUZIWBMQQ-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001195011228 782053193 /nfs/dbraw/zinc/05/31/93/782053193.db2.gz GHYPYLNSTFMJLE-DJLDLDEBSA-N 1 1 310.376 -3.418 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1 ZINC001195149468 782056059 /nfs/dbraw/zinc/05/60/59/782056059.db2.gz OMHYBZISRRILGA-JHJVBQTASA-N 1 1 312.370 -1.558 20 0 DAADMO CCOC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001195113953 782056451 /nfs/dbraw/zinc/05/64/51/782056451.db2.gz HHRXBTWLUPGBNY-FRRDWIJNSA-N 1 1 319.365 -1.004 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001195215725 782058032 /nfs/dbraw/zinc/05/80/32/782058032.db2.gz ZLJJOCLHXQXGTM-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195263540 782058927 /nfs/dbraw/zinc/05/89/27/782058927.db2.gz ZYYKEFNBWXKZJU-ZWKOPEQDSA-N 1 1 323.397 -1.099 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195263540 782058938 /nfs/dbraw/zinc/05/89/38/782058938.db2.gz ZYYKEFNBWXKZJU-ZWKOPEQDSA-N 1 1 323.397 -1.099 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCNC1=O ZINC001195271558 782060346 /nfs/dbraw/zinc/06/03/46/782060346.db2.gz NDUDOMRCHONTTL-HBNTYKKESA-N 1 1 301.343 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCNC1=O ZINC001195271558 782060357 /nfs/dbraw/zinc/06/03/57/782060357.db2.gz NDUDOMRCHONTTL-HBNTYKKESA-N 1 1 301.343 -2.707 20 0 DAADMO CCOCCO[C@H](C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152202818 782061321 /nfs/dbraw/zinc/06/13/21/782061321.db2.gz QNWQMPOQZWUWPM-SNVBAGLBSA-N 1 1 300.363 -1.143 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1C(F)F ZINC001195282426 782061377 /nfs/dbraw/zinc/06/13/77/782061377.db2.gz GPKQDTLGIVSQPT-JUWDTYFHSA-N 1 1 301.301 -1.510 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001195277640 782061711 /nfs/dbraw/zinc/06/17/11/782061711.db2.gz IQNXCAUZQUFRCC-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195286524 782061829 /nfs/dbraw/zinc/06/18/29/782061829.db2.gz JPPBTEKNQHLUHW-QJPTWQEYSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195286524 782061838 /nfs/dbraw/zinc/06/18/38/782061838.db2.gz JPPBTEKNQHLUHW-QJPTWQEYSA-N 1 1 317.386 -1.678 20 0 DAADMO CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1)C1CC1 ZINC001195365644 782063171 /nfs/dbraw/zinc/06/31/71/782063171.db2.gz HSLNMFSJRVYBNB-UTUOFQBUSA-N 1 1 324.385 -1.200 20 0 DAADMO CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1)C1CC1 ZINC001195365642 782064851 /nfs/dbraw/zinc/06/48/51/782064851.db2.gz HSLNMFSJRVYBNB-IJLUTSLNSA-N 1 1 324.385 -1.200 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CCCN(C(=O)CC(N)=O)CC1 ZINC001195363422 782065059 /nfs/dbraw/zinc/06/50/59/782065059.db2.gz AEIMTUYFWYRKTN-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001195404257 782065551 /nfs/dbraw/zinc/06/55/51/782065551.db2.gz OTVBBFCXMBNTKI-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365510 782064516 /nfs/dbraw/zinc/06/45/16/782064516.db2.gz GDHHPEVLPLONGQ-DJLDLDEBSA-N 1 1 300.319 -3.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365510 782064526 /nfs/dbraw/zinc/06/45/26/782064526.db2.gz GDHHPEVLPLONGQ-DJLDLDEBSA-N 1 1 300.319 -3.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001195404780 782066134 /nfs/dbraw/zinc/06/61/34/782066134.db2.gz SERHLWZCASQZTP-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)C1 ZINC001195404258 782067531 /nfs/dbraw/zinc/06/75/31/782067531.db2.gz OTVBBFCXMBNTKI-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195514335 782069041 /nfs/dbraw/zinc/06/90/41/782069041.db2.gz INHHYVGDOHWHHE-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO Cn1cc(C(=O)NCC[NH+]2CC3(COC3)C2)c(=O)n(C)c1=O ZINC001195544741 782070701 /nfs/dbraw/zinc/07/07/01/782070701.db2.gz GEFSQPGJQWDVFJ-UHFFFAOYSA-N 1 1 308.338 -1.854 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@]1(F)CCOC1 ZINC001195594959 782071377 /nfs/dbraw/zinc/07/13/77/782071377.db2.gz XFILPOYSDACWAQ-WZRBSPASSA-N 1 1 306.334 -1.715 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@]1(F)CCOC1 ZINC001195594959 782071388 /nfs/dbraw/zinc/07/13/88/782071388.db2.gz XFILPOYSDACWAQ-WZRBSPASSA-N 1 1 306.334 -1.715 20 0 DAADMO Cn1cc(C(=O)NCC2([NH+]3CCCC3)COC2)c(=O)n(C)c1=O ZINC001195545234 782071783 /nfs/dbraw/zinc/07/17/83/782071783.db2.gz PCKRZQPYFDWRFB-UHFFFAOYSA-N 1 1 322.365 -1.321 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001195601534 782072015 /nfs/dbraw/zinc/07/20/15/782072015.db2.gz JMMRIMPHYSFMED-DMDPSCGWSA-N 1 1 312.370 -1.489 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001195625948 782072255 /nfs/dbraw/zinc/07/22/55/782072255.db2.gz UBFBEBDJPIJQSB-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001195625948 782072265 /nfs/dbraw/zinc/07/22/65/782072265.db2.gz UBFBEBDJPIJQSB-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195633633 782072388 /nfs/dbraw/zinc/07/23/88/782072388.db2.gz VYQLSVZKIYGQHA-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195633633 782072394 /nfs/dbraw/zinc/07/23/94/782072394.db2.gz VYQLSVZKIYGQHA-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001195621206 782072412 /nfs/dbraw/zinc/07/24/12/782072412.db2.gz WRVNSPLFVUTANU-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001195621206 782072415 /nfs/dbraw/zinc/07/24/15/782072415.db2.gz WRVNSPLFVUTANU-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001195639867 782072911 /nfs/dbraw/zinc/07/29/11/782072911.db2.gz OJDOJBKFLMOYBT-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001195639867 782072920 /nfs/dbraw/zinc/07/29/20/782072920.db2.gz OJDOJBKFLMOYBT-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195570966 782073251 /nfs/dbraw/zinc/07/32/51/782073251.db2.gz SVIANDSORGDMQT-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195570966 782073255 /nfs/dbraw/zinc/07/32/55/782073255.db2.gz SVIANDSORGDMQT-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC001195633324 782073778 /nfs/dbraw/zinc/07/37/78/782073778.db2.gz RHCZQXMHPCJYLC-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+](CCOCCO)CC1 ZINC001195681779 782075017 /nfs/dbraw/zinc/07/50/17/782075017.db2.gz IVKKBRNQVHEYRO-NSHDSACASA-N 1 1 301.343 -1.362 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001195681476 782075153 /nfs/dbraw/zinc/07/51/53/782075153.db2.gz DKJMIXOUSBIECY-GHMZBOCLSA-N 1 1 301.343 -1.364 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001195783136 782081008 /nfs/dbraw/zinc/08/10/08/782081008.db2.gz BOMWZMNMZUDKIO-GMTAPVOTSA-N 1 1 324.381 -1.966 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001195783136 782081019 /nfs/dbraw/zinc/08/10/19/782081019.db2.gz BOMWZMNMZUDKIO-GMTAPVOTSA-N 1 1 324.381 -1.966 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783708 782083065 /nfs/dbraw/zinc/08/30/65/782083065.db2.gz QXRGKIYVULPAHM-VXGBXAGGSA-N 1 1 321.381 -1.611 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001195790268 782083544 /nfs/dbraw/zinc/08/35/44/782083544.db2.gz QKRNFXFTUYTSNL-VXGBXAGGSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001195783886 782083644 /nfs/dbraw/zinc/08/36/44/782083644.db2.gz WPBURRRAYWMIEJ-QJPTWQEYSA-N 1 1 311.382 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195716850 782076375 /nfs/dbraw/zinc/07/63/75/782076375.db2.gz ATVPWDMXRVMDEN-HTQZYQBOSA-N 1 1 313.276 -1.398 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195728313 782076449 /nfs/dbraw/zinc/07/64/49/782076449.db2.gz UKBYZZFBXYESPH-UHFFFAOYSA-N 1 1 316.402 -1.151 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701913 782076997 /nfs/dbraw/zinc/07/69/97/782076997.db2.gz SYXKFLYFSKLWHQ-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195746545 782078033 /nfs/dbraw/zinc/07/80/33/782078033.db2.gz LEQGIWWFJGYGPX-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195718131 782078409 /nfs/dbraw/zinc/07/84/09/782078409.db2.gz NVZUSIVLKGGVEV-HBNTYKKESA-N 1 1 300.359 -1.746 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001195717339 782078760 /nfs/dbraw/zinc/07/87/60/782078760.db2.gz GRYPNYRQTGQGJX-CYZMBNFOSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001195717339 782078769 /nfs/dbraw/zinc/07/87/69/782078769.db2.gz GRYPNYRQTGQGJX-CYZMBNFOSA-N 1 1 323.349 -1.927 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195717827 782078976 /nfs/dbraw/zinc/07/89/76/782078976.db2.gz KPCGVTYECGYTNH-QJPTWQEYSA-N 1 1 314.386 -1.354 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001195718196 782079158 /nfs/dbraw/zinc/07/91/58/782079158.db2.gz PZGBVECLQWQZHN-HBNTYKKESA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001195718196 782079163 /nfs/dbraw/zinc/07/91/63/782079163.db2.gz PZGBVECLQWQZHN-HBNTYKKESA-N 1 1 301.343 -2.171 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783158 782080449 /nfs/dbraw/zinc/08/04/49/782080449.db2.gz BVVCGLSTZRIPBH-IVZWLZJFSA-N 1 1 301.343 -2.580 20 0 DAADMO C[C@@H](CC(=O)N1CCC[N@@H+](CCOCCO)CC1)NC(N)=O ZINC001195852817 782085757 /nfs/dbraw/zinc/08/57/57/782085757.db2.gz DKMPCPJLNXONDK-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO O=C(CC1=CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195881315 782086933 /nfs/dbraw/zinc/08/69/33/782086933.db2.gz FBXVTSRYOGEIQF-ZIAGYGMSSA-N 1 1 314.382 -1.107 20 0 DAADMO Cn1cccc1-c1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)no1 ZINC001196008665 782089163 /nfs/dbraw/zinc/08/91/63/782089163.db2.gz FGKFIFDUDBNQJP-FRRDWIJNSA-N 1 1 317.353 -1.187 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001196030109 782089436 /nfs/dbraw/zinc/08/94/36/782089436.db2.gz NHUKJVMMRDZYAO-UPJWGTAASA-N 1 1 320.386 -1.528 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001196030109 782089442 /nfs/dbraw/zinc/08/94/42/782089442.db2.gz NHUKJVMMRDZYAO-UPJWGTAASA-N 1 1 320.386 -1.528 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196030928 782091893 /nfs/dbraw/zinc/09/18/93/782091893.db2.gz REOWQAGYGKMFFI-UPJWGTAASA-N 1 1 312.370 -1.294 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001196067419 782090442 /nfs/dbraw/zinc/09/04/42/782090442.db2.gz XAPPLKZHQNTRQP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001196067419 782090454 /nfs/dbraw/zinc/09/04/54/782090454.db2.gz XAPPLKZHQNTRQP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196030928 782091901 /nfs/dbraw/zinc/09/19/01/782091901.db2.gz REOWQAGYGKMFFI-UPJWGTAASA-N 1 1 312.370 -1.294 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196029252 782090714 /nfs/dbraw/zinc/09/07/14/782090714.db2.gz GXKKNSUDRNFXIF-UTUOFQBUSA-N 1 1 306.359 -2.182 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196029252 782090721 /nfs/dbraw/zinc/09/07/21/782090721.db2.gz GXKKNSUDRNFXIF-UTUOFQBUSA-N 1 1 306.359 -2.182 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)CC(C)(C)C ZINC001196200142 782093595 /nfs/dbraw/zinc/09/35/95/782093595.db2.gz RTCNSQKDDDQBJC-GHMZBOCLSA-N 1 1 300.403 -1.389 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC001196077741 782092511 /nfs/dbraw/zinc/09/25/11/782092511.db2.gz CXUCDXXQDKUAKR-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001196185562 782094231 /nfs/dbraw/zinc/09/42/31/782094231.db2.gz ZQLIWRSGFITKRM-UMSGYPCISA-N 1 1 313.398 -1.092 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185529 782094556 /nfs/dbraw/zinc/09/45/56/782094556.db2.gz XPECMSMIVJTXBU-WRWGMCAJSA-N 1 1 315.370 -2.068 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185529 782094561 /nfs/dbraw/zinc/09/45/61/782094561.db2.gz XPECMSMIVJTXBU-WRWGMCAJSA-N 1 1 315.370 -2.068 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001196167044 782094732 /nfs/dbraw/zinc/09/47/32/782094732.db2.gz AVMZRVOVJCMZNV-MGPQQGTHSA-N 1 1 315.414 -1.502 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000409787783 332055963 /nfs/dbraw/zinc/05/59/63/332055963.db2.gz CRHPENFIWAQSSS-SUNKGSAMSA-N 1 1 300.355 -1.005 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C[C@H](C)[N@H+]1C ZINC000410435322 332143984 /nfs/dbraw/zinc/14/39/84/332143984.db2.gz GIVAFJRUYODNFT-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C[C@H](C)[N@@H+]1C ZINC000410435322 332143985 /nfs/dbraw/zinc/14/39/85/332143985.db2.gz GIVAFJRUYODNFT-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000410472879 332148093 /nfs/dbraw/zinc/14/80/93/332148093.db2.gz SLWGGQQZVMWBAC-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@@H]1CCSC1 ZINC000533871123 332226568 /nfs/dbraw/zinc/22/65/68/332226568.db2.gz FEGJMTRPPGTUDX-SNVBAGLBSA-N 1 1 322.456 -1.229 20 0 DAADMO Cn1cc(C[N@H+](C)CC(=O)N2CCOCC2)c(=O)n(C)c1=O ZINC000560219065 332320045 /nfs/dbraw/zinc/32/00/45/332320045.db2.gz XCOADUHQYGCSDH-UHFFFAOYSA-N 1 1 310.354 -1.625 20 0 DAADMO Cn1cc(C[N@@H+](C)CC(=O)N2CCOCC2)c(=O)n(C)c1=O ZINC000560219065 332320046 /nfs/dbraw/zinc/32/00/46/332320046.db2.gz XCOADUHQYGCSDH-UHFFFAOYSA-N 1 1 310.354 -1.625 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000560390812 332336343 /nfs/dbraw/zinc/33/63/43/332336343.db2.gz VAYGBEOTFNAIDT-LLVKDONJSA-N 1 1 317.411 -1.299 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CSCC(N)=O)CC1 ZINC000560390953 332336461 /nfs/dbraw/zinc/33/64/61/332336461.db2.gz ZOUPTFUAUUBZKD-UHFFFAOYSA-N 1 1 302.400 -1.515 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H](C[NH3+])C1 ZINC000569919313 332692340 /nfs/dbraw/zinc/69/23/40/332692340.db2.gz ZAAVZUUDXLCSAV-KGLIPLIRSA-N 1 1 321.425 -1.440 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H](C[NH3+])C1 ZINC000569919310 332692358 /nfs/dbraw/zinc/69/23/58/332692358.db2.gz ZAAVZUUDXLCSAV-KBPBESRZSA-N 1 1 321.425 -1.440 20 0 DAADMO O=C(C1CCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000563113288 333391974 /nfs/dbraw/zinc/39/19/74/333391974.db2.gz PLFIMXSTGJBJMZ-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000563334066 333592809 /nfs/dbraw/zinc/59/28/09/333592809.db2.gz MWULADPFCICHIO-UHFFFAOYSA-N 1 1 304.376 -1.844 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)[C@H]3CCNC3=O)c2c(=O)n(C)c1=O ZINC000534664356 334323105 /nfs/dbraw/zinc/32/31/05/334323105.db2.gz NCTDVLZIIJXBSI-VIFPVBQESA-N 1 1 320.353 -1.746 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001205772485 782101759 /nfs/dbraw/zinc/10/17/59/782101759.db2.gz YOQGVCQZDORQHS-MWLCHTKSSA-N 1 1 320.415 -1.892 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001205772485 782101763 /nfs/dbraw/zinc/10/17/63/782101763.db2.gz YOQGVCQZDORQHS-MWLCHTKSSA-N 1 1 320.415 -1.892 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196334195 782102126 /nfs/dbraw/zinc/10/21/26/782102126.db2.gz WKFZVDZSJZOCIJ-VXGBXAGGSA-N 1 1 308.338 -2.035 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196445228 782103130 /nfs/dbraw/zinc/10/31/30/782103130.db2.gz HBZMAEBRJIUMRD-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196490055 782104614 /nfs/dbraw/zinc/10/46/14/782104614.db2.gz MBDBWACEUOOVSB-GHMZBOCLSA-N 1 1 320.415 -2.046 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196609033 782106114 /nfs/dbraw/zinc/10/61/14/782106114.db2.gz QYAQZFCOSFQKLK-NXEZZACHSA-N 1 1 302.375 -1.762 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196609033 782106117 /nfs/dbraw/zinc/10/61/17/782106117.db2.gz QYAQZFCOSFQKLK-NXEZZACHSA-N 1 1 302.375 -1.762 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490844 782106229 /nfs/dbraw/zinc/10/62/29/782106229.db2.gz YJEZEJRRFOMHGO-GHMZBOCLSA-N 1 1 322.431 -1.800 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001196609040 782106246 /nfs/dbraw/zinc/10/62/46/782106246.db2.gz RBBHWACKHUJUSJ-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001196609040 782106248 /nfs/dbraw/zinc/10/62/48/782106248.db2.gz RBBHWACKHUJUSJ-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+](CCOCCO)CC2)ncc1=O ZINC001196581932 782106409 /nfs/dbraw/zinc/10/64/09/782106409.db2.gz YPJIVMCIQZQHQE-UHFFFAOYSA-N 1 1 324.381 -1.063 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)n1 ZINC001196631881 782106719 /nfs/dbraw/zinc/10/67/19/782106719.db2.gz PUURGJFKNCSORE-CYZMBNFOSA-N 1 1 312.370 -1.315 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001196609165 782106955 /nfs/dbraw/zinc/10/69/55/782106955.db2.gz UFZZITWKRXTNOU-GMTAPVOTSA-N 1 1 316.402 -1.374 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001110484837 782107777 /nfs/dbraw/zinc/10/77/77/782107777.db2.gz OIMHRZZUDJXFMO-ZDCRXTMVSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001110484837 782107780 /nfs/dbraw/zinc/10/77/80/782107780.db2.gz OIMHRZZUDJXFMO-ZDCRXTMVSA-N 1 1 311.386 -1.147 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cscn2)C1 ZINC001196701260 782107863 /nfs/dbraw/zinc/10/78/63/782107863.db2.gz UBSVQTMVYQEWPP-QJPTWQEYSA-N 1 1 315.395 -1.146 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(N3CCCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001196679827 782107925 /nfs/dbraw/zinc/10/79/25/782107925.db2.gz SUWCOUGZVTYHBN-MCIONIFRSA-N 1 1 317.397 -1.186 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@H+]([C@H](C)COC)CC1 ZINC001196647779 782108614 /nfs/dbraw/zinc/10/86/14/782108614.db2.gz BASDUDVYSJFSIU-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207585 782096748 /nfs/dbraw/zinc/09/67/48/782096748.db2.gz RBXPGOKFOQRFLU-QJPTWQEYSA-N 1 1 314.430 -1.001 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254538 782096995 /nfs/dbraw/zinc/09/69/95/782096995.db2.gz PWSCNRMMUQZZLP-UHFFFAOYSA-N 1 1 320.357 -1.966 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1cscn1 ZINC001152254568 782097125 /nfs/dbraw/zinc/09/71/25/782097125.db2.gz RFNSRUKSPHKZCV-UHFFFAOYSA-N 1 1 323.382 -1.243 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196251628 782097306 /nfs/dbraw/zinc/09/73/06/782097306.db2.gz MZAMFWNTVGPLTM-LPWJVIDDSA-N 1 1 302.371 -1.418 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196251628 782097315 /nfs/dbraw/zinc/09/73/15/782097315.db2.gz MZAMFWNTVGPLTM-LPWJVIDDSA-N 1 1 302.371 -1.418 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196235534 782100087 /nfs/dbraw/zinc/10/00/87/782100087.db2.gz XQTXIZGAPMWPGK-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)CN1CCOCC1 ZINC001251022703 782109269 /nfs/dbraw/zinc/10/92/69/782109269.db2.gz GIAVNSJRHXCFPY-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)CN1CCOCC1 ZINC001251022703 782109276 /nfs/dbraw/zinc/10/92/76/782109276.db2.gz GIAVNSJRHXCFPY-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O)C(N)=O ZINC001196683514 782109330 /nfs/dbraw/zinc/10/93/30/782109330.db2.gz LRTPKVKYJTZFEP-HBNTYKKESA-N 1 1 300.359 -2.064 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196738787 782110515 /nfs/dbraw/zinc/11/05/15/782110515.db2.gz DMRSFRHADWKQJD-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000582710651 337123548 /nfs/dbraw/zinc/12/35/48/337123548.db2.gz LXLKYUYBIJNSPE-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)C1 ZINC000582868707 337209185 /nfs/dbraw/zinc/20/91/85/337209185.db2.gz JPBSIQHTSUVSIX-MGPQQGTHSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)C1 ZINC000582868707 337209186 /nfs/dbraw/zinc/20/91/86/337209186.db2.gz JPBSIQHTSUVSIX-MGPQQGTHSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCn2cnnc2C1 ZINC000583195026 337265532 /nfs/dbraw/zinc/26/55/32/337265532.db2.gz ABDUWNVBJSKBJN-JTQLQIEISA-N 1 1 304.354 -1.027 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000583211075 337272811 /nfs/dbraw/zinc/27/28/11/337272811.db2.gz KWVQBFUKVJJKML-LLVKDONJSA-N 1 1 321.447 -1.818 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477563 337347836 /nfs/dbraw/zinc/34/78/36/337347836.db2.gz LOUQLXDQASFURU-RYUDHWBXSA-N 1 1 308.448 -1.196 20 0 DAADMO CN(CC(=O)NC[C@H]1C[NH2+]CCO1)c1ncnc2[nH]cnc21 ZINC000584532186 337357284 /nfs/dbraw/zinc/35/72/84/337357284.db2.gz BLYQPVPDWIWMQJ-SECBINFHSA-N 1 1 305.342 -1.106 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000584535737 337358088 /nfs/dbraw/zinc/35/80/88/337358088.db2.gz WYFHBYYXGHCPRB-HNNXBMFYSA-N 1 1 308.382 -1.159 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001196738948 782111164 /nfs/dbraw/zinc/11/11/64/782111164.db2.gz GGBKZCFFHQFUFO-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000543847231 341061402 /nfs/dbraw/zinc/06/14/02/341061402.db2.gz XAFFHNDZGXZRQA-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000543847231 341061403 /nfs/dbraw/zinc/06/14/03/341061403.db2.gz XAFFHNDZGXZRQA-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO CC(C)[C@@H](CNC(=O)NC(CO)CO)N1CC[NH+](C)CC1 ZINC000073596172 341118700 /nfs/dbraw/zinc/11/87/00/341118700.db2.gz OJSFPFLJDOTJQD-CYBMUJFWSA-N 1 1 302.419 -1.089 20 0 DAADMO CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cn1C ZINC000234359163 341122311 /nfs/dbraw/zinc/12/23/11/341122311.db2.gz RWGYJASRKZCREX-SECBINFHSA-N 1 1 316.383 -1.349 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000545883467 341143958 /nfs/dbraw/zinc/14/39/58/341143958.db2.gz MKLJMAABRRLYTF-ZDUSSCGKSA-N 1 1 300.359 -1.789 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C1CC(O)C1 ZINC000546094647 341153877 /nfs/dbraw/zinc/15/38/77/341153877.db2.gz OXHHIULMIQLXCU-AFPNSQJFSA-N 1 1 310.354 -1.308 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C1CC(O)C1 ZINC000546094647 341153878 /nfs/dbraw/zinc/15/38/78/341153878.db2.gz OXHHIULMIQLXCU-AFPNSQJFSA-N 1 1 310.354 -1.308 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1C(N)=O ZINC000236087673 341177249 /nfs/dbraw/zinc/17/72/49/341177249.db2.gz XFOVLWVZICZWGW-MRVPVSSYSA-N 1 1 302.356 -1.609 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000552309190 341385560 /nfs/dbraw/zinc/38/55/60/341385560.db2.gz ZSGNTHKYDOPOIA-UHFFFAOYSA-N 1 1 310.358 -2.138 20 0 DAADMO CNC(=O)CCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000565695730 341535327 /nfs/dbraw/zinc/53/53/27/341535327.db2.gz QWXRZNRGRSOCGN-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566206468 341550763 /nfs/dbraw/zinc/55/07/63/341550763.db2.gz AJXUDEMDXPWHGA-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO [NH3+]CC(F)(F)CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000566862590 341570156 /nfs/dbraw/zinc/57/01/56/341570156.db2.gz NLINWRDJEJXMGZ-UHFFFAOYSA-N 1 1 308.329 -1.465 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])C1 ZINC000568047869 341647902 /nfs/dbraw/zinc/64/79/02/341647902.db2.gz XIZWEZGWJPWBKV-ZETCQYMHSA-N 1 1 300.331 -1.087 20 0 DAADMO NC(=O)[C@@]1([NH2+]CC(=O)NC(=O)NCc2ccco2)CCOC1 ZINC000569136775 341691877 /nfs/dbraw/zinc/69/18/77/341691877.db2.gz GJARHRSDOGVQCA-CYBMUJFWSA-N 1 1 310.310 -1.161 20 0 DAADMO CS(=O)(=O)c1ccc(NC(=O)C[NH2+]C(CO)CO)cc1 ZINC000576475577 341848276 /nfs/dbraw/zinc/84/82/76/341848276.db2.gz HOQNFECYYHUODO-UHFFFAOYSA-N 1 1 302.352 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001196757072 782112021 /nfs/dbraw/zinc/11/20/21/782112021.db2.gz CMVICFDITVGRDN-IVZWLZJFSA-N 1 1 323.415 -2.144 20 0 DAADMO CC(C)(C)OC(=O)[C@H](CO)NC[C@H](O)C[NH+]1CCOCC1 ZINC001251039698 782112196 /nfs/dbraw/zinc/11/21/96/782112196.db2.gz KEZMAFZTDLBXHF-RYUDHWBXSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)(C)OC(=O)[C@H](CO)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251039697 782112471 /nfs/dbraw/zinc/11/24/71/782112471.db2.gz KEZMAFZTDLBXHF-NEPJUHHUSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486297 782114063 /nfs/dbraw/zinc/11/40/63/782114063.db2.gz DYLGCJHKZWXGKQ-KQSJRHEJSA-N 1 1 314.386 -1.228 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196846331 782114542 /nfs/dbraw/zinc/11/45/42/782114542.db2.gz ZSLVGBDANCJVAD-QJPTWQEYSA-N 1 1 315.370 -2.175 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001196935017 782114680 /nfs/dbraw/zinc/11/46/80/782114680.db2.gz MZZBPEPZVMURTJ-NSHDSACASA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)C2CCC2)C1 ZINC001196866471 782114734 /nfs/dbraw/zinc/11/47/34/782114734.db2.gz BYGWAOWUGHFLLX-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001196918774 782115063 /nfs/dbraw/zinc/11/50/63/782115063.db2.gz GPYUGLZHJXYQLJ-QJPTWQEYSA-N 1 1 311.382 -1.290 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001196970048 782115898 /nfs/dbraw/zinc/11/58/98/782115898.db2.gz VPUCMQMSRYZERM-IJLUTSLNSA-N 1 1 312.370 -1.191 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001196970049 782115992 /nfs/dbraw/zinc/11/59/92/782115992.db2.gz VPUCMQMSRYZERM-QJPTWQEYSA-N 1 1 312.370 -1.191 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954029 782118110 /nfs/dbraw/zinc/11/81/10/782118110.db2.gz NVIRLZCNDHNBIV-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001196954001 782118157 /nfs/dbraw/zinc/11/81/57/782118157.db2.gz MTPXNFRRCILLBC-HBNTYKKESA-N 1 1 300.359 -2.062 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977311 782118223 /nfs/dbraw/zinc/11/82/23/782118223.db2.gz MDARNCGJAUBEON-LLVKDONJSA-N 1 1 303.359 -1.970 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001196977054 782118421 /nfs/dbraw/zinc/11/84/21/782118421.db2.gz DUXZLPSENROCNQ-IJLUTSLNSA-N 1 1 317.386 -1.930 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(C)=O)C1 ZINC001196977067 782117276 /nfs/dbraw/zinc/11/72/76/782117276.db2.gz DUXZLPSENROCNQ-QJPTWQEYSA-N 1 1 317.386 -1.930 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953358 782118454 /nfs/dbraw/zinc/11/84/54/782118454.db2.gz CYXDWGAUEGBIGB-JHJVBQTASA-N 1 1 301.387 -1.749 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977315 782117767 /nfs/dbraw/zinc/11/77/67/782117767.db2.gz MDARNCGJAUBEON-NSHDSACASA-N 1 1 303.359 -1.970 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954445 782117859 /nfs/dbraw/zinc/11/78/59/782117859.db2.gz XZOUTYJVFVRUJF-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196985472 782119553 /nfs/dbraw/zinc/11/95/53/782119553.db2.gz HKDZPEZBXKBWSD-VXGBXAGGSA-N 1 1 301.387 -1.308 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001197000809 782119794 /nfs/dbraw/zinc/11/97/94/782119794.db2.gz KUWYKWRYJIRIJT-VXGBXAGGSA-N 1 1 322.365 -1.502 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001197000617 782120132 /nfs/dbraw/zinc/12/01/32/782120132.db2.gz GDWXJBAZLNRXJA-GHMZBOCLSA-N 1 1 310.354 -1.504 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197000301 782120501 /nfs/dbraw/zinc/12/05/01/782120501.db2.gz CNXKUYSLQDMSAT-NXEZZACHSA-N 1 1 312.326 -2.920 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001197130761 782124199 /nfs/dbraw/zinc/12/41/99/782124199.db2.gz MXFKNEWLVUHZNE-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1 ZINC001197130761 782124202 /nfs/dbraw/zinc/12/42/02/782124202.db2.gz MXFKNEWLVUHZNE-OPRDCNLKSA-N 1 1 301.368 -1.075 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1)OC ZINC001197171512 782126649 /nfs/dbraw/zinc/12/66/49/782126649.db2.gz JBPIDADBZBEPKN-IJLUTSLNSA-N 1 1 312.374 -1.351 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171334 782126843 /nfs/dbraw/zinc/12/68/43/782126843.db2.gz HJLDPFGPUHRKGM-IJLUTSLNSA-N 1 1 312.374 -1.615 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171085 782126931 /nfs/dbraw/zinc/12/69/31/782126931.db2.gz DYVRDFHZJGVAEI-GMTAPVOTSA-N 1 1 300.338 -1.027 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197171085 782126936 /nfs/dbraw/zinc/12/69/36/782126936.db2.gz DYVRDFHZJGVAEI-GMTAPVOTSA-N 1 1 300.338 -1.027 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCOC1 ZINC001197171212 782126965 /nfs/dbraw/zinc/12/69/65/782126965.db2.gz FQHCKCPYIJKOCW-BZPMIXESSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCOC1 ZINC001197171212 782126968 /nfs/dbraw/zinc/12/69/68/782126968.db2.gz FQHCKCPYIJKOCW-BZPMIXESSA-N 1 1 302.371 -1.417 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001197162125 782127686 /nfs/dbraw/zinc/12/76/86/782127686.db2.gz UHWNVENIGPPXFB-VXGBXAGGSA-N 1 1 312.370 -1.224 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001197273770 782129021 /nfs/dbraw/zinc/12/90/21/782129021.db2.gz KJMNSZPXCMPITG-VXGBXAGGSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197273770 782129027 /nfs/dbraw/zinc/12/90/27/782129027.db2.gz KJMNSZPXCMPITG-VXGBXAGGSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001197236604 782128570 /nfs/dbraw/zinc/12/85/70/782128570.db2.gz XBXYCWDEPFDBAY-HTQZYQBOSA-N 1 1 313.276 -1.791 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197236604 782128574 /nfs/dbraw/zinc/12/85/74/782128574.db2.gz XBXYCWDEPFDBAY-HTQZYQBOSA-N 1 1 313.276 -1.791 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230008 782129462 /nfs/dbraw/zinc/12/94/62/782129462.db2.gz NTSCWCYXYIFLFN-BWZBUEFSSA-N 1 1 313.276 -1.793 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230008 782129466 /nfs/dbraw/zinc/12/94/66/782129466.db2.gz NTSCWCYXYIFLFN-BWZBUEFSSA-N 1 1 313.276 -1.793 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296000 782129674 /nfs/dbraw/zinc/12/96/74/782129674.db2.gz FUYPTXHDPZVQKS-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334457 782130763 /nfs/dbraw/zinc/13/07/63/782130763.db2.gz TWMYUKASNRCQPC-QJPTWQEYSA-N 1 1 310.354 -1.825 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197333751 782130934 /nfs/dbraw/zinc/13/09/34/782130934.db2.gz FTQJTEMDPBDRCB-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001197283394 782131126 /nfs/dbraw/zinc/13/11/26/782131126.db2.gz LYUWEGNERRLLCT-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334456 782131446 /nfs/dbraw/zinc/13/14/46/782131446.db2.gz TWMYUKASNRCQPC-IJLUTSLNSA-N 1 1 310.354 -1.825 20 0 DAADMO COC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001197419006 782131932 /nfs/dbraw/zinc/13/19/32/782131932.db2.gz UKTFBJQMJURQFL-WOPDTQHZSA-N 1 1 320.353 -1.002 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@H+](CCOCCO)CC1 ZINC001197536752 782133453 /nfs/dbraw/zinc/13/34/53/782133453.db2.gz MUARURRKCZHURD-UHFFFAOYSA-N 1 1 312.374 -1.394 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnccn2)C1 ZINC001197503484 782134137 /nfs/dbraw/zinc/13/41/37/782134137.db2.gz YBOXIQDBMNMVPU-BFHYXJOUSA-N 1 1 324.381 -1.422 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001197528615 782135014 /nfs/dbraw/zinc/13/50/14/782135014.db2.gz QOJVECFMJFERSH-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC001197536552 782135078 /nfs/dbraw/zinc/13/50/78/782135078.db2.gz HCAPHDRYBKMJEX-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO COCCOc1ncccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001197641666 782136558 /nfs/dbraw/zinc/13/65/58/782136558.db2.gz SDOXAVPWFBBPOL-SRVKXCTJSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ncccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001197641657 782136673 /nfs/dbraw/zinc/13/66/73/782136673.db2.gz SDOXAVPWFBBPOL-GRYCIOLGSA-N 1 1 322.369 -1.761 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3cccnc3)c2)[C@H]2NCN[C@H]21 ZINC001197585757 782136787 /nfs/dbraw/zinc/13/67/87/782136787.db2.gz MBAKSJVVERQCAT-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001197650348 782136927 /nfs/dbraw/zinc/13/69/27/782136927.db2.gz MYQBDMHCRGQUBD-GHMZBOCLSA-N 1 1 313.358 -1.829 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001197650348 782136931 /nfs/dbraw/zinc/13/69/31/782136931.db2.gz MYQBDMHCRGQUBD-GHMZBOCLSA-N 1 1 313.358 -1.829 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197666860 782138180 /nfs/dbraw/zinc/13/81/80/782138180.db2.gz JWSVBMTVEGFAGK-VXGBXAGGSA-N 1 1 317.386 -1.798 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-c3nnco3)cc2)[C@@H]2NCN[C@@H]21 ZINC001197700498 782138390 /nfs/dbraw/zinc/13/83/90/782138390.db2.gz NODNLMFCMVZCRK-UTUOFQBUSA-N 1 1 315.337 -1.131 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1F ZINC001197667596 782139111 /nfs/dbraw/zinc/13/91/11/782139111.db2.gz XHZLRZJDFCMVJV-GRYCIOLGSA-N 1 1 323.328 -1.255 20 0 DAADMO CN(C)C(=O)CN1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001197808979 782141817 /nfs/dbraw/zinc/14/18/17/782141817.db2.gz OLFMOYURMDWWJO-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(CCN2C(=O)CNC2=O)CC1 ZINC001197808979 782141820 /nfs/dbraw/zinc/14/18/20/782141820.db2.gz OLFMOYURMDWWJO-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(CCN2C(=O)CNC2=O)CC1 ZINC001197808979 782141823 /nfs/dbraw/zinc/14/18/23/782141823.db2.gz OLFMOYURMDWWJO-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197812062 782140388 /nfs/dbraw/zinc/14/03/88/782140388.db2.gz FWVZJYOBGBYDPJ-BBBLOLIVSA-N 1 1 302.375 -1.777 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197812062 782140393 /nfs/dbraw/zinc/14/03/93/782140393.db2.gz FWVZJYOBGBYDPJ-BBBLOLIVSA-N 1 1 302.375 -1.777 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197776439 782141107 /nfs/dbraw/zinc/14/11/07/782141107.db2.gz WXPMHZSCKRIWDE-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819862 782141982 /nfs/dbraw/zinc/14/19/82/782141982.db2.gz PJNPTRVMCRYLCL-JHJVBQTASA-N 1 1 313.398 -1.749 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(OC(F)F)cn2)[C@@H]2NCN[C@H]21 ZINC001197932363 782143615 /nfs/dbraw/zinc/14/36/15/782143615.db2.gz YJAIZWSXTGEFQD-AEJSXWLSSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(OC(F)F)cn2)[C@H]2NCN[C@@H]21 ZINC001197932368 782145208 /nfs/dbraw/zinc/14/52/08/782145208.db2.gz YJAIZWSXTGEFQD-OPRDCNLKSA-N 1 1 314.296 -1.184 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001198020925 782146413 /nfs/dbraw/zinc/14/64/13/782146413.db2.gz SKVDBKRSLMZVCO-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001198040663 782147341 /nfs/dbraw/zinc/14/73/41/782147341.db2.gz MPVWVOBEDIPHCJ-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001198019867 782147358 /nfs/dbraw/zinc/14/73/58/782147358.db2.gz BBKQXKFPXZVDMA-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](CC)C(N)=O)C[C@H]1O ZINC001198047446 782147385 /nfs/dbraw/zinc/14/73/85/782147385.db2.gz NFJZLNYDJZPHME-IJLUTSLNSA-N 1 1 300.403 -1.247 20 0 DAADMO CC(C)Oc1nccnc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001198066267 782149506 /nfs/dbraw/zinc/14/95/06/782149506.db2.gz OJSHJEVPZUHSFK-DVVUODLYSA-N 1 1 307.358 -1.604 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(CC(=O)NC(N)=O)CC2)C1 ZINC001198098549 782149758 /nfs/dbraw/zinc/14/97/58/782149758.db2.gz ZSPDRJAOVRNZKK-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCNC(N)=O)CC2)C1=O ZINC001198071360 782148962 /nfs/dbraw/zinc/14/89/62/782148962.db2.gz PFCQBNRDDOREKR-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)CCNC(N)=O)CC2)C1=O ZINC001198071360 782148968 /nfs/dbraw/zinc/14/89/68/782148968.db2.gz PFCQBNRDDOREKR-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198133931 782149036 /nfs/dbraw/zinc/14/90/36/782149036.db2.gz LTTFZAKKLUUSJU-CHWSQXEVSA-N 1 1 312.370 -1.569 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001198143122 782150817 /nfs/dbraw/zinc/15/08/17/782150817.db2.gz QBHPTPCAYPMCSG-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC001198071287 782150270 /nfs/dbraw/zinc/15/02/70/782150270.db2.gz ODXZMSQFOCQEOM-UHFFFAOYSA-N 1 1 309.374 -1.129 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001198298996 782153120 /nfs/dbraw/zinc/15/31/20/782153120.db2.gz UEDZOCDAGFBTFK-QJPTWQEYSA-N 1 1 311.338 -1.431 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001198199892 782151858 /nfs/dbraw/zinc/15/18/58/782151858.db2.gz IYPWOBITZXXWNP-IOASZLSFSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC001198326494 782153544 /nfs/dbraw/zinc/15/35/44/782153544.db2.gz GKMUKOIVFZFSDI-BDAKNGLRSA-N 1 1 304.372 -1.463 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001198299460 782153601 /nfs/dbraw/zinc/15/36/01/782153601.db2.gz YZWCTHNWAIYHGG-VXGBXAGGSA-N 1 1 311.338 -1.429 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 ZINC001198366931 782153243 /nfs/dbraw/zinc/15/32/43/782153243.db2.gz WBIJHTJVMRZAMJ-GMTAPVOTSA-N 1 1 311.338 -1.449 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001198489941 782155738 /nfs/dbraw/zinc/15/57/38/782155738.db2.gz PCUHAIGQOSFYHW-RKDXNWHRSA-N 1 1 324.328 -1.512 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001198489941 782155742 /nfs/dbraw/zinc/15/57/42/782155742.db2.gz PCUHAIGQOSFYHW-RKDXNWHRSA-N 1 1 324.328 -1.512 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489998 782156455 /nfs/dbraw/zinc/15/64/55/782156455.db2.gz PXSNZMDJVCMXHG-GHMZBOCLSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489479 782156625 /nfs/dbraw/zinc/15/66/25/782156625.db2.gz HDPMHGAHOWRZBW-IVZWLZJFSA-N 1 1 304.347 -2.787 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489209 782156846 /nfs/dbraw/zinc/15/68/46/782156846.db2.gz AQBNSEZNEDWVEP-GMTAPVOTSA-N 1 1 302.375 -1.633 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198473993 782158534 /nfs/dbraw/zinc/15/85/34/782158534.db2.gz NLZYCSIAGOLMDW-VXGBXAGGSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198473993 782158539 /nfs/dbraw/zinc/15/85/39/782158539.db2.gz NLZYCSIAGOLMDW-VXGBXAGGSA-N 1 1 324.385 -1.552 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC001198572372 782158560 /nfs/dbraw/zinc/15/85/60/782158560.db2.gz GCOFBSKJZAKTJV-LLVKDONJSA-N 1 1 303.388 -1.344 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1O ZINC001198670959 782159098 /nfs/dbraw/zinc/15/90/98/782159098.db2.gz AAWPKEJFYMTKTP-CHWSQXEVSA-N 1 1 323.397 -1.123 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001198474136 782157976 /nfs/dbraw/zinc/15/79/76/782157976.db2.gz PNUKEZZHIBAXMO-IJLUTSLNSA-N 1 1 314.386 -1.367 20 0 DAADMO COCCn1c(=O)cccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001198702871 782159779 /nfs/dbraw/zinc/15/97/79/782159779.db2.gz RXFOAMLPZFBOIA-AVGNSLFASA-N 1 1 322.369 -2.373 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198699684 782160231 /nfs/dbraw/zinc/16/02/31/782160231.db2.gz WSHCYDSBDFEQLO-MGPQQGTHSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198699684 782160235 /nfs/dbraw/zinc/16/02/35/782160235.db2.gz WSHCYDSBDFEQLO-MGPQQGTHSA-N 1 1 315.414 -1.502 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@H]2O)C1 ZINC001198654157 782160266 /nfs/dbraw/zinc/16/02/66/782160266.db2.gz OHJGGQHMPYEKNA-BFHYXJOUSA-N 1 1 324.425 -1.374 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198652763 782160517 /nfs/dbraw/zinc/16/05/17/782160517.db2.gz BGNCEEWBIHDBBN-YNEHKIRRSA-N 1 1 312.414 -1.376 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001198662772 782160556 /nfs/dbraw/zinc/16/05/56/782160556.db2.gz UVSPPIMETDRKFC-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001198662772 782160557 /nfs/dbraw/zinc/16/05/57/782160557.db2.gz UVSPPIMETDRKFC-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198706333 782161204 /nfs/dbraw/zinc/16/12/04/782161204.db2.gz FOHPAWRVFJULFG-GMTAPVOTSA-N 1 1 321.399 -2.124 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1O ZINC001198721702 782161814 /nfs/dbraw/zinc/16/18/14/782161814.db2.gz AOOYSZAKXIIQNE-OPRDCNLKSA-N 1 1 311.379 -1.555 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001198679888 782162235 /nfs/dbraw/zinc/16/22/35/782162235.db2.gz KOIQHFFWVQQUQM-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000339277443 520894138 /nfs/dbraw/zinc/89/41/38/520894138.db2.gz VWFGCZBEBSXGDU-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001198708101 782162612 /nfs/dbraw/zinc/16/26/12/782162612.db2.gz SSNWDRQOEUXDTR-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO CCN1CCN(CC(=O)NCC[N@@H+](C)CCOC)C(=O)C1=O ZINC000339246991 521674987 /nfs/dbraw/zinc/67/49/87/521674987.db2.gz UKYWNXGUNPTBIM-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000336798256 521676755 /nfs/dbraw/zinc/67/67/55/521676755.db2.gz DHMCHXRJYWTEAD-UHFFFAOYSA-N 1 1 313.445 -1.074 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000354511025 521705025 /nfs/dbraw/zinc/70/50/25/521705025.db2.gz OUWKZVXSPQFJIX-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000354511025 521705027 /nfs/dbraw/zinc/70/50/27/521705027.db2.gz OUWKZVXSPQFJIX-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(C)S(=O)(=O)CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000336810130 521950121 /nfs/dbraw/zinc/95/01/21/521950121.db2.gz HFCFODGANHJUTA-UHFFFAOYSA-N 1 1 313.445 -1.122 20 0 DAADMO CN1CCN(C(=O)CC[N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000338248800 522672796 /nfs/dbraw/zinc/67/27/96/522672796.db2.gz GZKUAJUZAKIYGT-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)CN1CCCC1=O ZINC000336860563 523016776 /nfs/dbraw/zinc/01/67/76/523016776.db2.gz SCHQSWVBDBPWHR-UONOGXRCSA-N 1 1 315.414 -1.405 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000266139406 523216640 /nfs/dbraw/zinc/21/66/40/523216640.db2.gz GIMBMGSITNSKSH-UHFFFAOYSA-N 1 1 314.342 -1.509 20 0 DAADMO COCCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000339497827 523310152 /nfs/dbraw/zinc/31/01/52/523310152.db2.gz ZAAQMLWHGJZRRK-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCS(=O)(=O)NC1CC1 ZINC000339322791 523592627 /nfs/dbraw/zinc/59/26/27/523592627.db2.gz PWJAIQXFQQNVGB-UHFFFAOYSA-N 1 1 322.431 -1.054 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCN1CCCS1(=O)=O ZINC000339312998 523593612 /nfs/dbraw/zinc/59/36/12/523593612.db2.gz COAFCBIUBXXVOW-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cn[nH]c2=O)CC1 ZINC000156319332 523819275 /nfs/dbraw/zinc/81/92/75/523819275.db2.gz QPNLVOYJWNZMFV-LLVKDONJSA-N 1 1 322.369 -1.664 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cn[nH]c2=O)CC1 ZINC000156319458 523845404 /nfs/dbraw/zinc/84/54/04/523845404.db2.gz QPNLVOYJWNZMFV-NSHDSACASA-N 1 1 322.369 -1.664 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc(C(=O)OC)nn2)C1 ZINC000267052393 523863891 /nfs/dbraw/zinc/86/38/91/523863891.db2.gz WCXJRVXNLXJMPF-SNVBAGLBSA-N 1 1 311.342 -1.098 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000264699487 523885594 /nfs/dbraw/zinc/88/55/94/523885594.db2.gz CXDUGEDUYUBVQO-LBPRGKRZSA-N 1 1 318.381 -1.142 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000190376743 524287175 /nfs/dbraw/zinc/28/71/75/524287175.db2.gz FLCJWLLINFYXFI-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1CO ZINC000190376743 524287181 /nfs/dbraw/zinc/28/71/81/524287181.db2.gz FLCJWLLINFYXFI-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(=O)n2CC2CC2)[C@@H]2NCN[C@@H]21 ZINC001198803564 782163740 /nfs/dbraw/zinc/16/37/40/782163740.db2.gz MMEZKGNLMQVAPF-MCIONIFRSA-N 1 1 318.381 -1.609 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908450 526190721 /nfs/dbraw/zinc/19/07/21/526190721.db2.gz OPHLQGQKKHRJDG-BBBLOLIVSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908450 526190730 /nfs/dbraw/zinc/19/07/30/526190730.db2.gz OPHLQGQKKHRJDG-BBBLOLIVSA-N 1 1 324.381 -1.202 20 0 DAADMO O=C(CNC(=O)c1ccsc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198798995 782164015 /nfs/dbraw/zinc/16/40/15/782164015.db2.gz BYSMEIYWVNNDAV-GHMZBOCLSA-N 1 1 313.379 -1.369 20 0 DAADMO O=C(C[NH+]1CCC(Cn2ccnn2)CC1)N1CCNC(=O)C1 ZINC000156089790 526728351 /nfs/dbraw/zinc/72/83/51/526728351.db2.gz FUKWYQDWVNZPHQ-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO Cn1ccc(CCNC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000339491504 527348392 /nfs/dbraw/zinc/34/83/92/527348392.db2.gz AUWYEKBAVWTISA-UHFFFAOYSA-N 1 1 323.397 -1.083 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H](O)C1)c(=O)n2C ZINC000265201175 527495414 /nfs/dbraw/zinc/49/54/14/527495414.db2.gz JXUXTVSTQBJNIQ-JTQLQIEISA-N 1 1 307.354 -1.110 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N(CCO)CC(F)F ZINC000339492570 527669398 /nfs/dbraw/zinc/66/93/98/527669398.db2.gz FBUYGPRLPIZOMD-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1COCCO1 ZINC000339494615 527670166 /nfs/dbraw/zinc/67/01/66/527670166.db2.gz SVCCURKOCHVHOL-GFCCVEGCSA-N 1 1 315.370 -1.644 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000340194915 536532575 /nfs/dbraw/zinc/53/25/75/536532575.db2.gz QABXBAMYVOHLRC-SNVBAGLBSA-N 1 1 305.375 -1.230 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000340194915 536532578 /nfs/dbraw/zinc/53/25/78/536532578.db2.gz QABXBAMYVOHLRC-SNVBAGLBSA-N 1 1 305.375 -1.230 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198970608 782166618 /nfs/dbraw/zinc/16/66/18/782166618.db2.gz PRINYPGWTZDSEP-VXGBXAGGSA-N 1 1 308.338 -2.035 20 0 DAADMO CCOCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199010635 782167113 /nfs/dbraw/zinc/16/71/13/782167113.db2.gz DDJXRTWXVNKNKT-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001199011944 782167523 /nfs/dbraw/zinc/16/75/23/782167523.db2.gz WJDLGFDSOZAFLX-VXGBXAGGSA-N 1 1 324.385 -1.788 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1O ZINC001199042647 782167688 /nfs/dbraw/zinc/16/76/88/782167688.db2.gz JVQSAOHUPYOEKU-GMTAPVOTSA-N 1 1 316.402 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(C3CCC3)c2)[C@@H]2NCN[C@@H]21 ZINC001198981472 782167828 /nfs/dbraw/zinc/16/78/28/782167828.db2.gz SYWRBZGHCJJYTR-UTUOFQBUSA-N 1 1 319.369 -1.899 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284594683 536325570 /nfs/dbraw/zinc/32/55/70/536325570.db2.gz PGTZLNLBACMAAO-GXFFZTMASA-N 1 1 310.358 -1.051 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2C2CCOCC2)[C@@H]2NCN[C@@H]21 ZINC001199083618 782168736 /nfs/dbraw/zinc/16/87/36/782168736.db2.gz UDNAYNQPVFIBIW-UPJWGTAASA-N 1 1 321.385 -1.633 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC(F)(F)C[NH3+] ZINC000653086195 545640937 /nfs/dbraw/zinc/64/09/37/545640937.db2.gz JVUPRFNMEFWZHP-QMMMGPOBSA-N 1 1 306.313 -1.176 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394460423 545644862 /nfs/dbraw/zinc/64/48/62/545644862.db2.gz QAOUENYHQKSYES-OCCSQVGLSA-N 1 1 311.430 -1.408 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCN=C3C2=NNN3C)CC1 ZINC000668359813 545645394 /nfs/dbraw/zinc/64/53/94/545645394.db2.gz HDNDKGPZPMVRCJ-MNOVXSKESA-N 1 1 308.386 -1.264 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000668436501 545646657 /nfs/dbraw/zinc/64/66/57/545646657.db2.gz GYRWVLSOSVAPLX-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000408097953 545648686 /nfs/dbraw/zinc/64/86/86/545648686.db2.gz RLAKRCOGQWSQKT-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658954241 545649249 /nfs/dbraw/zinc/64/92/49/545649249.db2.gz VASXPAUYRQFYKL-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658954241 545649256 /nfs/dbraw/zinc/64/92/56/545649256.db2.gz VASXPAUYRQFYKL-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO COC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596362 545654774 /nfs/dbraw/zinc/65/47/74/545654774.db2.gz AOEIGEFVKOSTQG-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000672596282 545654998 /nfs/dbraw/zinc/65/49/98/545654998.db2.gz LQVVAPDLAKOTCQ-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000672004082 545656258 /nfs/dbraw/zinc/65/62/58/545656258.db2.gz LXVLEQHSGBRKGU-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000672004378 545656996 /nfs/dbraw/zinc/65/69/96/545656996.db2.gz BLGCQCUDLQJZRX-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000672004378 545657000 /nfs/dbraw/zinc/65/70/00/545657000.db2.gz BLGCQCUDLQJZRX-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000668676298 545658150 /nfs/dbraw/zinc/65/81/50/545658150.db2.gz YZIPYNKNTBOPPL-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO Cn1c(NC[C@@H]2C[N@@H+](C)CCN2C)nc2c1c(=O)[nH]c(=O)n2C ZINC000329487741 545659687 /nfs/dbraw/zinc/65/96/87/545659687.db2.gz RLRFWUASDREILD-SECBINFHSA-N 1 1 321.385 -0.970 20 0 DAADMO C[C@@H]1C[NH+](C[C@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000133040859 545662547 /nfs/dbraw/zinc/66/25/47/545662547.db2.gz LICWNUWCSPWKBX-MXWKQRLJSA-N 1 1 322.369 -1.005 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000407997668 545665970 /nfs/dbraw/zinc/66/59/70/545665970.db2.gz XPZFIQZPRDAUDW-SNVBAGLBSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000171563054 545668712 /nfs/dbraw/zinc/66/87/12/545668712.db2.gz WEBXZLWTZUVLQY-NWDGAFQWSA-N 1 1 310.398 -1.029 20 0 DAADMO CN(C)C(=O)COC1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408033564 545669699 /nfs/dbraw/zinc/66/96/99/545669699.db2.gz NVHNEZPKEWGJPA-CYBMUJFWSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408046701 545675957 /nfs/dbraw/zinc/67/59/57/545675957.db2.gz XTZBBMHCTWEIHE-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668891819 545677864 /nfs/dbraw/zinc/67/78/64/545677864.db2.gz CZRMCECTYJCWAW-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000602902527 545682007 /nfs/dbraw/zinc/68/20/07/545682007.db2.gz CLAZTKGIYBGNKW-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000602902527 545682013 /nfs/dbraw/zinc/68/20/13/545682013.db2.gz CLAZTKGIYBGNKW-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@H+](C)C[C@H]1CO)C(C)C ZINC000602906066 545682114 /nfs/dbraw/zinc/68/21/14/545682114.db2.gz PRVKTMRIIFFOHZ-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@@H+](C)C[C@H]1CO)C(C)C ZINC000602906066 545682119 /nfs/dbraw/zinc/68/21/19/545682119.db2.gz PRVKTMRIIFFOHZ-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000408235263 545683586 /nfs/dbraw/zinc/68/35/86/545683586.db2.gz JLHVNHVKUFILPA-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000408235263 545683591 /nfs/dbraw/zinc/68/35/91/545683591.db2.gz JLHVNHVKUFILPA-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000671817230 545690456 /nfs/dbraw/zinc/69/04/56/545690456.db2.gz FTBRAEXGTFHMFM-TZMCWYRMSA-N 1 1 322.409 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000343082979 545696590 /nfs/dbraw/zinc/69/65/90/545696590.db2.gz GBDLZGCAQJRZNZ-UPJWGTAASA-N 1 1 312.414 -1.171 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331139486 545700372 /nfs/dbraw/zinc/70/03/72/545700372.db2.gz GJRPEXYDEOMOEJ-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331139486 545700366 /nfs/dbraw/zinc/70/03/66/545700366.db2.gz GJRPEXYDEOMOEJ-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H](C)[N@H+]1C ZINC000343486443 545707888 /nfs/dbraw/zinc/70/78/88/545707888.db2.gz UFLUZRFPVGWXIO-AOOOYVTPSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H](C)[N@@H+]1C ZINC000343486443 545707894 /nfs/dbraw/zinc/70/78/94/545707894.db2.gz UFLUZRFPVGWXIO-AOOOYVTPSA-N 1 1 322.369 -1.142 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000344025563 545708538 /nfs/dbraw/zinc/70/85/38/545708538.db2.gz YDJIKSXKEJTMSM-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000343894366 545709318 /nfs/dbraw/zinc/70/93/18/545709318.db2.gz RSRUTSHSBLRZNQ-ZPMVXHMNSA-N 1 1 319.427 -1.294 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000343894366 545709320 /nfs/dbraw/zinc/70/93/20/545709320.db2.gz RSRUTSHSBLRZNQ-ZPMVXHMNSA-N 1 1 319.427 -1.294 20 0 DAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2c[nH]cn2)CC1 ZINC000347018757 545714354 /nfs/dbraw/zinc/71/43/54/545714354.db2.gz IIVOSRWSIZTBNH-UHFFFAOYSA-N 1 1 301.372 -1.148 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000347107341 545715950 /nfs/dbraw/zinc/71/59/50/545715950.db2.gz PVRUCLIYUUTOEA-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347309279 545717439 /nfs/dbraw/zinc/71/74/39/545717439.db2.gz KWUXEASHUXLKQW-GHMZBOCLSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)C1 ZINC000347306117 545717487 /nfs/dbraw/zinc/71/74/87/545717487.db2.gz APCANSHLIKLZPD-MELADBBJSA-N 1 1 313.398 -1.069 20 0 DAADMO Cn1nnnc1N1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000347516799 545717989 /nfs/dbraw/zinc/71/79/89/545717989.db2.gz GPSPWJIMGOUYQF-NSHDSACASA-N 1 1 309.374 -1.374 20 0 DAADMO Cn1nnnc1N1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000347516799 545717994 /nfs/dbraw/zinc/71/79/94/545717994.db2.gz GPSPWJIMGOUYQF-NSHDSACASA-N 1 1 309.374 -1.374 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000350946868 545719376 /nfs/dbraw/zinc/71/93/76/545719376.db2.gz CYSUWTUYDCAQCJ-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN2CCS(=O)(=O)CC2)C1 ZINC000350946868 545719379 /nfs/dbraw/zinc/71/93/79/545719379.db2.gz CYSUWTUYDCAQCJ-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000351553049 545722327 /nfs/dbraw/zinc/72/23/27/545722327.db2.gz CWVDLUMAPDFNJM-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1(c2nn[nH]n2)CCCC1 ZINC000351541039 545722858 /nfs/dbraw/zinc/72/28/58/545722858.db2.gz PDIBAOANZBIQAO-VIFPVBQESA-N 1 1 307.358 -1.047 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)[C@@]2(CO)CCOC2)cn1 ZINC000329684928 545723021 /nfs/dbraw/zinc/72/30/21/545723021.db2.gz YHUXZBUDSGNQOF-GFCCVEGCSA-N 1 1 318.399 -1.218 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)[C@@]2(CO)CCOC2)cn1 ZINC000329684928 545723024 /nfs/dbraw/zinc/72/30/24/545723024.db2.gz YHUXZBUDSGNQOF-GFCCVEGCSA-N 1 1 318.399 -1.218 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285612 545724753 /nfs/dbraw/zinc/72/47/53/545724753.db2.gz ZDPDPRNFKAIYCF-QWRGUYRKSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285612 545724758 /nfs/dbraw/zinc/72/47/58/545724758.db2.gz ZDPDPRNFKAIYCF-QWRGUYRKSA-N 1 1 322.369 -1.129 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331642334 545726726 /nfs/dbraw/zinc/72/67/26/545726726.db2.gz IUWCHYHTEBRLNW-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331642334 545726732 /nfs/dbraw/zinc/72/67/32/545726732.db2.gz IUWCHYHTEBRLNW-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCO[C@H](Cn3cncn3)C2)CC1 ZINC000331595717 545726938 /nfs/dbraw/zinc/72/69/38/545726938.db2.gz CZFCPQKLROZPSJ-ZDUSSCGKSA-N 1 1 308.386 -1.247 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652894175 545734463 /nfs/dbraw/zinc/73/44/63/545734463.db2.gz LVHAJWRIPSCEDO-GFCCVEGCSA-N 1 1 321.381 -1.342 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652894175 545734469 /nfs/dbraw/zinc/73/44/69/545734469.db2.gz LVHAJWRIPSCEDO-GFCCVEGCSA-N 1 1 321.381 -1.342 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652900960 545736216 /nfs/dbraw/zinc/73/62/16/545736216.db2.gz JMHUHMHRMYRWFW-ZDUSSCGKSA-N 1 1 319.413 -1.161 20 0 DAADMO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900960 545736223 /nfs/dbraw/zinc/73/62/23/545736223.db2.gz JMHUHMHRMYRWFW-ZDUSSCGKSA-N 1 1 319.413 -1.161 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900960 545736228 /nfs/dbraw/zinc/73/62/28/545736228.db2.gz JMHUHMHRMYRWFW-ZDUSSCGKSA-N 1 1 319.413 -1.161 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000358063105 545740195 /nfs/dbraw/zinc/74/01/95/545740195.db2.gz YMXZGQQUSJIBHT-LBPRGKRZSA-N 1 1 317.367 -1.016 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ncnc2nc[nH]c21 ZINC000358070369 545740934 /nfs/dbraw/zinc/74/09/34/545740934.db2.gz VHHXVEDPYNOYMK-CQSZACIVSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ncnc2[nH]cnc21 ZINC000358070369 545740939 /nfs/dbraw/zinc/74/09/39/545740939.db2.gz VHHXVEDPYNOYMK-CQSZACIVSA-N 1 1 319.369 -1.028 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ncnc2[nH]cnc21 ZINC000358070369 545740942 /nfs/dbraw/zinc/74/09/42/545740942.db2.gz VHHXVEDPYNOYMK-CQSZACIVSA-N 1 1 319.369 -1.028 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H](CO)NC(=O)C(C)C)C1 ZINC000362759166 545743247 /nfs/dbraw/zinc/74/32/47/545743247.db2.gz LJPAGHMHMVMRBE-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1=NN(CCO)C(=O)CC1 ZINC000362435313 545743454 /nfs/dbraw/zinc/74/34/54/545743454.db2.gz VANCJYBFJKPXOH-NWDGAFQWSA-N 1 1 324.381 -1.064 20 0 DAADMO CCN1C(=O)[C@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000362339982 545743981 /nfs/dbraw/zinc/74/39/81/545743981.db2.gz JDCDLIMMKMPFMS-GFCCVEGCSA-N 1 1 323.397 -1.271 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000362357118 545744881 /nfs/dbraw/zinc/74/48/81/545744881.db2.gz IDHYXKLVKCPXHA-SNVBAGLBSA-N 1 1 321.399 -1.321 20 0 DAADMO CNc1nc(N[C@H]2CNC(=O)C2)[nH+]c(N[C@H]2CNC(=O)C2)n1 ZINC000362648060 545745024 /nfs/dbraw/zinc/74/50/24/545745024.db2.gz GTXNYTAJPUXQHV-RNFRBKRXSA-N 1 1 306.330 -3.220 20 0 DAADMO O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CC1 ZINC000362828054 545747694 /nfs/dbraw/zinc/74/76/94/545747694.db2.gz VLPYCVBTRNWUQR-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000369191086 545750729 /nfs/dbraw/zinc/75/07/29/545750729.db2.gz GRAZPQSSMVAEDM-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCNC(=O)CC2)CC1 ZINC000369047696 545751923 /nfs/dbraw/zinc/75/19/23/545751923.db2.gz OLONJGTWEDNTFP-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671123093 545758719 /nfs/dbraw/zinc/75/87/19/545758719.db2.gz XKJTWRGRBYGESW-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@@H+]1CCO ZINC000428144800 545761115 /nfs/dbraw/zinc/76/11/15/545761115.db2.gz JOHADIDDLUFVJR-VIFPVBQESA-N 1 1 312.326 -2.068 20 0 DAADMO C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000428144800 545761122 /nfs/dbraw/zinc/76/11/22/545761122.db2.gz JOHADIDDLUFVJR-VIFPVBQESA-N 1 1 312.326 -2.068 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCCn2c(=O)ccn(C)c2=O)C1 ZINC000425278168 545763010 /nfs/dbraw/zinc/76/30/10/545763010.db2.gz YTNFGMOTFXMIMX-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCCn2c(=O)ccn(C)c2=O)C1 ZINC000425278168 545763020 /nfs/dbraw/zinc/76/30/20/545763020.db2.gz YTNFGMOTFXMIMX-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000419355012 545765856 /nfs/dbraw/zinc/76/58/56/545765856.db2.gz LRCLVYCYACUQLA-TXEJJXNPSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000419355012 545765849 /nfs/dbraw/zinc/76/58/49/545765849.db2.gz LRCLVYCYACUQLA-TXEJJXNPSA-N 1 1 300.403 -1.110 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418926947 545766390 /nfs/dbraw/zinc/76/63/90/545766390.db2.gz SDNPRSJANZCFBE-RYUDHWBXSA-N 1 1 300.403 -1.077 20 0 DAADMO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000419779230 545768471 /nfs/dbraw/zinc/76/84/71/545768471.db2.gz PJOWHKREUAGUAM-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C(=O)N1CCOCC1 ZINC000346564171 545771028 /nfs/dbraw/zinc/77/10/28/545771028.db2.gz DSMHTMCNBQRVJW-VXGBXAGGSA-N 1 1 324.381 -1.035 20 0 DAADMO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000444702931 545783319 /nfs/dbraw/zinc/78/33/19/545783319.db2.gz JHZTVERNUKNEBZ-VXGBXAGGSA-N 1 1 323.349 -1.399 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC1 ZINC000459820095 545784624 /nfs/dbraw/zinc/78/46/24/545784624.db2.gz VFEZJPOSBRSQCK-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459872316 545788076 /nfs/dbraw/zinc/78/80/76/545788076.db2.gz UVUACPUZAXKFMM-CHWSQXEVSA-N 1 1 313.398 -1.402 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000487348389 545794139 /nfs/dbraw/zinc/79/41/39/545794139.db2.gz XNPKWYSHFVRJLO-NEPJUHHUSA-N 1 1 301.387 -1.356 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000489049155 545794603 /nfs/dbraw/zinc/79/46/03/545794603.db2.gz XPOHTSARHLPCAT-TXEJJXNPSA-N 1 1 307.354 -1.837 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000489049155 545794605 /nfs/dbraw/zinc/79/46/05/545794605.db2.gz XPOHTSARHLPCAT-TXEJJXNPSA-N 1 1 307.354 -1.837 20 0 DAADMO COC[C@@H](C(N)=O)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000549805114 545797889 /nfs/dbraw/zinc/79/78/89/545797889.db2.gz SJXPPHSZFCZTAO-XQHKEYJVSA-N 1 1 303.403 -1.111 20 0 DAADMO COC[C@@H](C(N)=O)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000549805114 545797892 /nfs/dbraw/zinc/79/78/92/545797892.db2.gz SJXPPHSZFCZTAO-XQHKEYJVSA-N 1 1 303.403 -1.111 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000346561857 545797920 /nfs/dbraw/zinc/79/79/20/545797920.db2.gz BTUPMNYHLUSBMA-BHPKHCPMSA-N 1 1 315.414 -1.231 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1=O ZINC000405412891 545798146 /nfs/dbraw/zinc/79/81/46/545798146.db2.gz NPTFIVFMTNKCHT-VHSXEESVSA-N 1 1 310.354 -1.406 20 0 DAADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649335456 545801944 /nfs/dbraw/zinc/80/19/44/545801944.db2.gz DHIVQXOYBBXMNR-BYNSBNAKSA-N 1 1 308.426 -1.026 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH+]1CCOCC1 ZINC000649566803 545803885 /nfs/dbraw/zinc/80/38/85/545803885.db2.gz XXPGZCNVFXARIE-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH+]1CCOCC1 ZINC000649566804 545804446 /nfs/dbraw/zinc/80/44/46/545804446.db2.gz XXPGZCNVFXARIE-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](CNC(=O)c1nc2n(n1)CCCN2)CN1CC[NH+](C)CC1 ZINC000649351296 545804650 /nfs/dbraw/zinc/80/46/50/545804650.db2.gz ICFVXEWZJVKLSM-LBPRGKRZSA-N 1 1 321.429 -1.036 20 0 DAADMO C[C@@H](CCO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000649866719 545805781 /nfs/dbraw/zinc/80/57/81/545805781.db2.gz XKSNYBRYVMLTCW-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cccn1)[C@@H]1C[N@H+](C)CCO1 ZINC000671352859 545809741 /nfs/dbraw/zinc/80/97/41/545809741.db2.gz RBOOXICHBRTVQX-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1cccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671352859 545809751 /nfs/dbraw/zinc/80/97/51/545809751.db2.gz RBOOXICHBRTVQX-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023133 545811224 /nfs/dbraw/zinc/81/12/24/545811224.db2.gz WGXGGGITNCEVIV-RQJABVFESA-N 1 1 324.425 -1.103 20 0 DAADMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025332 545811580 /nfs/dbraw/zinc/81/15/80/545811580.db2.gz HFZZPDAHOUCJCB-YVECIDJPSA-N 1 1 310.398 -1.622 20 0 DAADMO NCC(F)(F)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025955 545811596 /nfs/dbraw/zinc/81/15/96/545811596.db2.gz XOMMFTNOMDSFMX-DTWKUNHWSA-N 1 1 306.313 -2.026 20 0 DAADMO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656022767 545811935 /nfs/dbraw/zinc/81/19/35/545811935.db2.gz LTUUFFRBWMHPQG-FRRDWIJNSA-N 1 1 310.398 -1.478 20 0 DAADMO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023131 545812064 /nfs/dbraw/zinc/81/20/64/545812064.db2.gz WGXGGGITNCEVIV-FQUUOJAGSA-N 1 1 324.425 -1.103 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000656023723 545812137 /nfs/dbraw/zinc/81/21/37/545812137.db2.gz DGMXGUOOAGUMEE-WOSRLPQWSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)CO1 ZINC000656064532 545813087 /nfs/dbraw/zinc/81/30/87/545813087.db2.gz XTGHTWPFGIPHIW-FVCCEPFGSA-N 1 1 311.382 -1.100 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000656058796 545813385 /nfs/dbraw/zinc/81/33/85/545813385.db2.gz IXVNJWBCEYNAPT-QNWHQSFQSA-N 1 1 311.382 -1.100 20 0 DAADMO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656068987 545813930 /nfs/dbraw/zinc/81/39/30/545813930.db2.gz MPVOOGCXBMVMDQ-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO CC(C)N(C[C@@H](C)O)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071801 545813990 /nfs/dbraw/zinc/81/39/90/545813990.db2.gz USZQSDIOBRBCJW-FRRDWIJNSA-N 1 1 313.398 -1.118 20 0 DAADMO O=C(C(=O)N1CCOCC2(CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085101 545814962 /nfs/dbraw/zinc/81/49/62/545814962.db2.gz XJSDLVBJAPOWHV-QWHCGFSZSA-N 1 1 323.393 -1.097 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656085729 545815286 /nfs/dbraw/zinc/81/52/86/545815286.db2.gz MFAKZLFFLCNQIK-OUAUKWLOSA-N 1 1 310.354 -2.090 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656085727 545815335 /nfs/dbraw/zinc/81/53/35/545815335.db2.gz MEJYREKPKJSWLV-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656085727 545815338 /nfs/dbraw/zinc/81/53/38/545815338.db2.gz MEJYREKPKJSWLV-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO O=C(C(=O)N1CCC[C@@H]2COC[C@@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083637 545815345 /nfs/dbraw/zinc/81/53/45/545815345.db2.gz LIZZOPIJMYWMGX-RQJABVFESA-N 1 1 323.393 -1.099 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H]1CO ZINC000656077271 545815413 /nfs/dbraw/zinc/81/54/13/545815413.db2.gz MSEFXMUUHDUVTH-YVECIDJPSA-N 1 1 311.382 -1.507 20 0 DAADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656078385 545815653 /nfs/dbraw/zinc/81/56/53/545815653.db2.gz AUUHZJCHNGPTKM-YNEHKIRRSA-N 1 1 311.382 -1.507 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CCOC2)C1 ZINC000656080991 545815700 /nfs/dbraw/zinc/81/57/00/545815700.db2.gz NMHRLZKWWDQJJA-ZENOOKHLSA-N 1 1 323.393 -1.097 20 0 DAADMO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656102134 545816133 /nfs/dbraw/zinc/81/61/33/545816133.db2.gz DRZOKNNDZCACPT-NWDGAFQWSA-N 1 1 312.414 -1.293 20 0 DAADMO C[C@@H]1C[NH+](C[C@H](O)CN2CCOC[C@H]2C(N)=O)C[C@@H](C)O1 ZINC000354824048 545816955 /nfs/dbraw/zinc/81/69/55/545816955.db2.gz AFQPNIUGVOZFHN-NDBYEHHHSA-N 1 1 301.387 -1.357 20 0 DAADMO O=C(NCCn1ccnc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656287494 545817217 /nfs/dbraw/zinc/81/72/17/545817217.db2.gz XZUJCGRIIKVLHH-NWDGAFQWSA-N 1 1 307.354 -1.723 20 0 DAADMO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104265 545817399 /nfs/dbraw/zinc/81/73/99/545817399.db2.gz MNACRJKFURLCIR-XDQVBPFNSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000656103988 545817674 /nfs/dbraw/zinc/81/76/74/545817674.db2.gz FCMVRXNPVBHMLW-ZENOOKHLSA-N 1 1 322.409 -1.524 20 0 DAADMO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104547 545818134 /nfs/dbraw/zinc/81/81/34/545818134.db2.gz QFTLRTRSNBOJLF-HZSPNIEDSA-N 1 1 324.425 -1.149 20 0 DAADMO C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)O1 ZINC000656338995 545818680 /nfs/dbraw/zinc/81/86/80/545818680.db2.gz ZUGQISKTCUVJLO-XQHKEYJVSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccn(C)n1 ZINC000656336726 545819449 /nfs/dbraw/zinc/81/94/49/545819449.db2.gz AVHMVUBYXIBJCC-SDDRHHMPSA-N 1 1 321.381 -1.125 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000656309076 545819537 /nfs/dbraw/zinc/81/95/37/545819537.db2.gz IWTUYBYSMLBESM-FPMFFAJLSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000656309076 545819542 /nfs/dbraw/zinc/81/95/42/545819542.db2.gz IWTUYBYSMLBESM-FPMFFAJLSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOC1 ZINC000656313427 545819901 /nfs/dbraw/zinc/81/99/01/545819901.db2.gz QUXANEKKSIVVQX-ZOWXZIJZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375978 545823574 /nfs/dbraw/zinc/82/35/74/545823574.db2.gz NTCNDBGRDOLVDI-XQHKEYJVSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000357375978 545823579 /nfs/dbraw/zinc/82/35/79/545823579.db2.gz NTCNDBGRDOLVDI-XQHKEYJVSA-N 1 1 321.443 -1.181 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC[N@@H+]1CCO ZINC000657527003 545824416 /nfs/dbraw/zinc/82/44/16/545824416.db2.gz MSFUDUJRQCMLGZ-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](O)C2)CC[N@H+]1CCO ZINC000657527003 545824422 /nfs/dbraw/zinc/82/44/22/545824422.db2.gz MSFUDUJRQCMLGZ-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@H](C(=O)N[C@@H](CO)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385520 545824762 /nfs/dbraw/zinc/82/47/62/545824762.db2.gz LMPDXKZXNJIEGY-UONOGXRCSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1C[N@H+](C)CCO1 ZINC000157530183 545824798 /nfs/dbraw/zinc/82/47/98/545824798.db2.gz LKFNELVHJQWVMC-WDEREUQCSA-N 1 1 310.354 -1.618 20 0 DAADMO C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000157530183 545824802 /nfs/dbraw/zinc/82/48/02/545824802.db2.gz LKFNELVHJQWVMC-WDEREUQCSA-N 1 1 310.354 -1.618 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670408856 545826424 /nfs/dbraw/zinc/82/64/24/545826424.db2.gz YHEZXXLLFTTWBS-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670406846 545827575 /nfs/dbraw/zinc/82/75/75/545827575.db2.gz FAXUDQWQEKVCPP-QWRGUYRKSA-N 1 1 304.416 -1.570 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000666098387 545830486 /nfs/dbraw/zinc/83/04/86/545830486.db2.gz ULUAEORELXGORG-VPOLOUISSA-N 1 1 321.399 -1.885 20 0 DAADMO O=C(C(=O)N1CCO[C@H](CO)C1)N1CC[NH+](CC2CC2)CC1 ZINC000658625303 545834542 /nfs/dbraw/zinc/83/45/42/545834542.db2.gz DZRMQZHWXCGKDJ-ZDUSSCGKSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2COC[C@H]2C1 ZINC000658785208 545836208 /nfs/dbraw/zinc/83/62/08/545836208.db2.gz MEDTYEXLKMAEQK-RFQIPJPRSA-N 1 1 323.393 -1.241 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1 ZINC000658779791 545836343 /nfs/dbraw/zinc/83/63/43/545836343.db2.gz WNQGRYGRQKUWAE-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658802946 545836688 /nfs/dbraw/zinc/83/66/88/545836688.db2.gz QJPZDUAGFXXEHC-MXWKQRLJSA-N 1 1 322.365 -1.730 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC000658802945 545836946 /nfs/dbraw/zinc/83/69/46/545836946.db2.gz QJPZDUAGFXXEHC-GARJFASQSA-N 1 1 322.365 -1.730 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671552431 545837640 /nfs/dbraw/zinc/83/76/40/545837640.db2.gz LWUQGSPOFCQEDY-AWEZNQCLSA-N 1 1 308.386 -1.511 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671551792 545838167 /nfs/dbraw/zinc/83/81/67/545838167.db2.gz OENQMEASJZCESY-OAHLLOKOSA-N 1 1 322.413 -1.121 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000658954048 545838785 /nfs/dbraw/zinc/83/87/85/545838785.db2.gz QBAKNTSRQOZMCW-GRYCIOLGSA-N 1 1 301.387 -1.261 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000658954048 545838792 /nfs/dbraw/zinc/83/87/92/545838792.db2.gz QBAKNTSRQOZMCW-GRYCIOLGSA-N 1 1 301.387 -1.261 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1nc2n(n1)CCCN2 ZINC000662905355 545840580 /nfs/dbraw/zinc/84/05/80/545840580.db2.gz CFQUJLKFFIVKJB-NSHDSACASA-N 1 1 305.386 -1.529 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2nc(N)nc(N(C)C)n2)C1 ZINC000566404301 545851629 /nfs/dbraw/zinc/85/16/29/545851629.db2.gz QRGGKNFUBURILU-VIFPVBQESA-N 1 1 309.374 -1.030 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000569820115 545853197 /nfs/dbraw/zinc/85/31/97/545853197.db2.gz GWQJWIMMHVOEPP-JTQLQIEISA-N 1 1 323.401 -0.952 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)NC1=O ZINC000667940532 545860369 /nfs/dbraw/zinc/86/03/69/545860369.db2.gz GFADVAVGGCFDAD-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)NC1=O ZINC000667911955 545860772 /nfs/dbraw/zinc/86/07/72/545860772.db2.gz VGORAJZQEWANQL-NWDGAFQWSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310495 545862026 /nfs/dbraw/zinc/86/20/26/545862026.db2.gz WRRVCEZKFSMAGS-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671935073 545862500 /nfs/dbraw/zinc/86/25/00/545862500.db2.gz NURATCSCYNYRKS-UTUOFQBUSA-N 1 1 324.385 -1.382 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671935073 545862504 /nfs/dbraw/zinc/86/25/04/545862504.db2.gz NURATCSCYNYRKS-UTUOFQBUSA-N 1 1 324.385 -1.382 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000672310882 545862673 /nfs/dbraw/zinc/86/26/73/545862673.db2.gz LNNKXVJMOMICBU-NWDGAFQWSA-N 1 1 324.381 -1.700 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000672596404 545864241 /nfs/dbraw/zinc/86/42/41/545864241.db2.gz KJLKWBWCPOUOSH-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000673908559 545866724 /nfs/dbraw/zinc/86/67/24/545866724.db2.gz VLXRTVYGQPFXHK-UHFFFAOYSA-N 1 1 311.430 -1.358 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000673636657 545867085 /nfs/dbraw/zinc/86/70/85/545867085.db2.gz UZCDJPZBQUBZNF-LLVKDONJSA-N 1 1 320.415 -1.732 20 0 DAADMO CNS(=O)(=O)CCC[N@H+](C)CCN1CCCS1(=O)=O ZINC000674462765 545867625 /nfs/dbraw/zinc/86/76/25/545867625.db2.gz CFGQYTQBFUOFKI-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCN2C1=O ZINC000674468091 545867910 /nfs/dbraw/zinc/86/79/10/545867910.db2.gz MYLSMPLZADVRTI-JTQLQIEISA-N 1 1 323.353 -1.103 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCCS(=O)(=O)NC)CCN2C1=O ZINC000674467658 545868018 /nfs/dbraw/zinc/86/80/18/545868018.db2.gz IBPUQLHIXFVNSH-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674885879 545869936 /nfs/dbraw/zinc/86/99/36/545869936.db2.gz FZWVOFFRMDMUQX-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000674885879 545869937 /nfs/dbraw/zinc/86/99/37/545869937.db2.gz FZWVOFFRMDMUQX-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1CSCC1=O ZINC000675533485 545870769 /nfs/dbraw/zinc/87/07/69/545870769.db2.gz OTMHRRCKNDDHQR-UHFFFAOYSA-N 1 1 314.411 -1.248 20 0 DAADMO C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676290175 545871648 /nfs/dbraw/zinc/87/16/48/545871648.db2.gz NAOUKXODZDYGTE-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676290175 545871654 /nfs/dbraw/zinc/87/16/54/545871654.db2.gz NAOUKXODZDYGTE-VXGBXAGGSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676244876 545872206 /nfs/dbraw/zinc/87/22/06/545872206.db2.gz DAANLBLAXQFPQM-NXEZZACHSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676244876 545872209 /nfs/dbraw/zinc/87/22/09/545872209.db2.gz DAANLBLAXQFPQM-NXEZZACHSA-N 1 1 313.358 -1.444 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@@H]1C ZINC000677218448 545873783 /nfs/dbraw/zinc/87/37/83/545873783.db2.gz JPPYCQRDABSVLR-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@@H]1C ZINC000677218448 545873787 /nfs/dbraw/zinc/87/37/87/545873787.db2.gz JPPYCQRDABSVLR-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H](O)C1CC1 ZINC000677892266 545875332 /nfs/dbraw/zinc/87/53/32/545875332.db2.gz MZUMHGJLVXCWAU-WCBMZHEXSA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000677892266 545875339 /nfs/dbraw/zinc/87/53/39/545875339.db2.gz MZUMHGJLVXCWAU-WCBMZHEXSA-N 1 1 324.381 -1.060 20 0 DAADMO O=C(NCCCN1C(=O)CNC1=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677883871 545875734 /nfs/dbraw/zinc/87/57/34/545875734.db2.gz DCVYKXRJPAASGC-LLVKDONJSA-N 1 1 309.370 -1.566 20 0 DAADMO Cn1cnn(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1=O ZINC000679272614 545879316 /nfs/dbraw/zinc/87/93/16/545879316.db2.gz WKBSEEFXUWNVQS-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO Cn1cnn(CC(=O)NCCCN2CCC[N@@H+](C)CC2)c1=O ZINC000679307165 545880091 /nfs/dbraw/zinc/88/00/91/545880091.db2.gz CYIUPUNHULJDAX-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+]2CCCN(C)CC2)c1=O ZINC000679307165 545880095 /nfs/dbraw/zinc/88/00/95/545880095.db2.gz CYIUPUNHULJDAX-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+]2CCCN(C)CC2)c1=O ZINC000679307165 545880100 /nfs/dbraw/zinc/88/01/00/545880100.db2.gz CYIUPUNHULJDAX-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679316790 545880883 /nfs/dbraw/zinc/88/08/83/545880883.db2.gz ACXYHRWNMNUFBY-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](NC(=O)NCCN1CCNC(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000679714038 545880912 /nfs/dbraw/zinc/88/09/12/545880912.db2.gz ZJJWJDNIJYTPOG-NEPJUHHUSA-N 1 1 313.402 -1.564 20 0 DAADMO C[C@@H](NC(=O)NCCN1CCNC(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000679714038 545880917 /nfs/dbraw/zinc/88/09/17/545880917.db2.gz ZJJWJDNIJYTPOG-NEPJUHHUSA-N 1 1 313.402 -1.564 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000680197027 545881556 /nfs/dbraw/zinc/88/15/56/545881556.db2.gz SQBYHGPWOYIWQH-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000680827299 545883175 /nfs/dbraw/zinc/88/31/75/545883175.db2.gz AKLLONOWGUCOQD-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)NC(C)(C)C)C1 ZINC000680828021 545883283 /nfs/dbraw/zinc/88/32/83/545883283.db2.gz LFEZPCYKCHFIMZ-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC(CO)CO)CC1=O ZINC000680452065 545883346 /nfs/dbraw/zinc/88/33/46/545883346.db2.gz XNKKLJDNHGDNKX-DGCLKSJQSA-N 1 1 313.398 -1.211 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000680828797 545883493 /nfs/dbraw/zinc/88/34/93/545883493.db2.gz YYYIMXJLVHSAMO-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)S(C)(=O)=O ZINC000680832530 545883794 /nfs/dbraw/zinc/88/37/94/545883794.db2.gz FLJYNHOAESXRPM-LBPRGKRZSA-N 1 1 322.431 -1.366 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1=O ZINC000682010632 545885764 /nfs/dbraw/zinc/88/57/64/545885764.db2.gz NTYFHFZVWIFEEN-UHFFFAOYSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1CCO ZINC000681750377 545886444 /nfs/dbraw/zinc/88/64/44/545886444.db2.gz YSGLLHBCVJSTPN-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[N@H+]1CCO ZINC000681750377 545886447 /nfs/dbraw/zinc/88/64/47/545886447.db2.gz YSGLLHBCVJSTPN-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682009835 545886879 /nfs/dbraw/zinc/88/68/79/545886879.db2.gz DNOZIXWUIJHAOZ-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682009835 545886881 /nfs/dbraw/zinc/88/68/81/545886881.db2.gz DNOZIXWUIJHAOZ-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685128766 545892476 /nfs/dbraw/zinc/89/24/76/545892476.db2.gz MUXPIYCGYXIWNF-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685128766 545892479 /nfs/dbraw/zinc/89/24/79/545892479.db2.gz MUXPIYCGYXIWNF-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000685338476 545893295 /nfs/dbraw/zinc/89/32/95/545893295.db2.gz RMRAVOGLBXJRMW-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000685338476 545893297 /nfs/dbraw/zinc/89/32/97/545893297.db2.gz RMRAVOGLBXJRMW-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000685194357 545893322 /nfs/dbraw/zinc/89/33/22/545893322.db2.gz KWLRVLKIBYWSGC-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685194357 545893324 /nfs/dbraw/zinc/89/33/24/545893324.db2.gz KWLRVLKIBYWSGC-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)CCOCCO)[C@@H]1C[N@H+](C)CCO1 ZINC000685338220 545893355 /nfs/dbraw/zinc/89/33/55/545893355.db2.gz MSZBQYRYEGAKQO-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)CCOCCO)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338220 545893358 /nfs/dbraw/zinc/89/33/58/545893358.db2.gz MSZBQYRYEGAKQO-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n(CC(C)C)n1 ZINC001199094164 782169706 /nfs/dbraw/zinc/16/97/06/782169706.db2.gz PXNWLYNXUICGTA-AGIUHOORSA-N 1 1 307.402 -1.020 20 0 DAADMO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)c1ccccc1 ZINC001199119743 782169748 /nfs/dbraw/zinc/16/97/48/782169748.db2.gz SLIRXTRFGYAAAU-NFAWXSAZSA-N 1 1 320.393 -1.064 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001199103863 782170162 /nfs/dbraw/zinc/17/01/62/782170162.db2.gz DEESQXHIEUVMHB-NXEZZACHSA-N 1 1 315.374 -2.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OC3CCC3)cn2)[C@H]2NCN[C@H]21 ZINC001199149842 782170934 /nfs/dbraw/zinc/17/09/34/782170934.db2.gz YBEKTQYMMUFTOJ-YNEHKIRRSA-N 1 1 319.369 -1.459 20 0 DAADMO COCCOc1cnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001199130501 782171487 /nfs/dbraw/zinc/17/14/87/782171487.db2.gz FSUSTOLPHPZXKM-SDDRHHMPSA-N 1 1 323.357 -2.366 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111737 782171518 /nfs/dbraw/zinc/17/15/18/782171518.db2.gz JUHNQGHTQUSWDN-YNEHKIRRSA-N 1 1 303.403 -1.505 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111737 782171527 /nfs/dbraw/zinc/17/15/27/782171527.db2.gz JUHNQGHTQUSWDN-YNEHKIRRSA-N 1 1 303.403 -1.505 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001199111834 782171767 /nfs/dbraw/zinc/17/17/67/782171767.db2.gz OLLIUTMIQSANNM-YNEHKIRRSA-N 1 1 314.430 -1.035 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OCC3CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001199144470 782172030 /nfs/dbraw/zinc/17/20/30/782172030.db2.gz UUGYMYUNPDEHMO-XQQFMLRXSA-N 1 1 319.369 -1.602 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001199135616 782172059 /nfs/dbraw/zinc/17/20/59/782172059.db2.gz BORPTNAMQUJHIY-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001199119417 782172186 /nfs/dbraw/zinc/17/21/86/782172186.db2.gz DAAYFUZWCNODPN-GHMZBOCLSA-N 1 1 311.390 -1.788 20 0 DAADMO COCCOc1ccncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001199238443 782173106 /nfs/dbraw/zinc/17/31/06/782173106.db2.gz ZZOYVGOIAIIPJF-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ccncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001199238445 782173409 /nfs/dbraw/zinc/17/34/09/782173409.db2.gz ZZOYVGOIAIIPJF-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001199197768 782173624 /nfs/dbraw/zinc/17/36/24/782173624.db2.gz DFBMKYJSMUYAQN-NHCYSSNCSA-N 1 1 323.357 -2.366 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(OC(F)F)n2)[C@H]2NCN[C@H]21 ZINC001199306772 782174906 /nfs/dbraw/zinc/17/49/06/782174906.db2.gz DXCYGBRUPQEAJZ-IVZWLZJFSA-N 1 1 314.296 -1.184 20 0 DAADMO C[N@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)Cc1ccccc1 ZINC001199384778 782175688 /nfs/dbraw/zinc/17/56/88/782175688.db2.gz NSCZBZNGVKHVKK-ZIAGYGMSSA-N 1 1 320.393 -1.235 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)Cc1ccccc1 ZINC001199384778 782175694 /nfs/dbraw/zinc/17/56/94/782175694.db2.gz NSCZBZNGVKHVKK-ZIAGYGMSSA-N 1 1 320.393 -1.235 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnccc2OC(F)F)[C@H]2NCN[C@H]21 ZINC001199383112 782176033 /nfs/dbraw/zinc/17/60/33/782176033.db2.gz RFCCVDWTIQPJSG-IVZWLZJFSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC(F)F)ccn2)[C@@H]2NCN[C@@H]21 ZINC001199314347 782176778 /nfs/dbraw/zinc/17/67/78/782176778.db2.gz BPLBVYCMGGGQLA-BBBLOLIVSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnccc2OC(F)F)[C@H]2NCN[C@@H]21 ZINC001199383113 782176841 /nfs/dbraw/zinc/17/68/41/782176841.db2.gz RFCCVDWTIQPJSG-OPRDCNLKSA-N 1 1 314.296 -1.184 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C2)cn1 ZINC001199430082 782177699 /nfs/dbraw/zinc/17/76/99/782177699.db2.gz SSZXKSGQTQLVFW-CHWSQXEVSA-N 1 1 323.397 -1.221 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199422823 782178434 /nfs/dbraw/zinc/17/84/34/782178434.db2.gz VNPINKOCGOZTNG-GHMZBOCLSA-N 1 1 314.342 -1.184 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199422823 782178439 /nfs/dbraw/zinc/17/84/39/782178439.db2.gz VNPINKOCGOZTNG-GHMZBOCLSA-N 1 1 314.342 -1.184 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001199523796 782181026 /nfs/dbraw/zinc/18/10/26/782181026.db2.gz IHNDYWKWPKAKML-QJPTWQEYSA-N 1 1 301.387 -1.058 20 0 DAADMO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199497440 782181415 /nfs/dbraw/zinc/18/14/15/782181415.db2.gz CWVNVIBMETVPQL-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC3CCC3)ncn2)[C@@H]2NCN[C@@H]21 ZINC001199477291 782181560 /nfs/dbraw/zinc/18/15/60/782181560.db2.gz KUXCQWRTHIURFP-UPJWGTAASA-N 1 1 319.369 -1.459 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001199523911 782182223 /nfs/dbraw/zinc/18/22/23/782182223.db2.gz NEPURBOOAMFQEC-MRVWCRGKSA-N 1 1 323.397 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ncccn3)cn2)[C@@H]2NCN[C@@H]21 ZINC001199558119 782183940 /nfs/dbraw/zinc/18/39/40/782183940.db2.gz FRRUDGARLZJPMY-MXWKQRLJSA-N 1 1 315.341 -2.205 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001199716298 782184349 /nfs/dbraw/zinc/18/43/49/782184349.db2.gz MZSOXPVPSJCQDZ-GFCCVEGCSA-N 1 1 324.385 -1.044 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001199715414 782184396 /nfs/dbraw/zinc/18/43/96/782184396.db2.gz FMWWYVPKMYFQMI-GFCCVEGCSA-N 1 1 311.342 -1.087 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001199566644 782183626 /nfs/dbraw/zinc/18/36/26/782183626.db2.gz CPJBHTAJIDHFFX-HBNTYKKESA-N 1 1 313.354 -1.763 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(OC3CCC3)n2)[C@@H]2NCN[C@H]21 ZINC001199655530 782184836 /nfs/dbraw/zinc/18/48/36/782184836.db2.gz LIDULYWDBVHPMA-TUAOUCFPSA-N 1 1 319.369 -1.459 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001199717306 782185040 /nfs/dbraw/zinc/18/50/40/782185040.db2.gz VARPJUVQYCBVFZ-ZDUSSCGKSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCC(=O)[O-])C1 ZINC000820025179 597762463 /nfs/dbraw/zinc/76/24/63/597762463.db2.gz ZBMFRJFCZPLJMP-SECBINFHSA-N 1 1 302.331 -1.205 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042217123 678320214 /nfs/dbraw/zinc/32/02/14/678320214.db2.gz RYXPIMIYSGYCSD-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001056790221 678668547 /nfs/dbraw/zinc/66/85/47/678668547.db2.gz TYQBTTSLACFFST-RYUDHWBXSA-N 1 1 301.387 -1.232 20 0 DAADMO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821622327 607214051 /nfs/dbraw/zinc/21/40/51/607214051.db2.gz ZDGBTNBBVBTGMS-SECBINFHSA-N 1 1 305.346 -1.132 20 0 DAADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821622327 607214052 /nfs/dbraw/zinc/21/40/52/607214052.db2.gz ZDGBTNBBVBTGMS-SECBINFHSA-N 1 1 305.346 -1.132 20 0 DAADMO C[C@H]1CC[N@H+](CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000820722821 607220526 /nfs/dbraw/zinc/22/05/26/607220526.db2.gz PKKJQUARKYSDEH-VIFPVBQESA-N 1 1 305.346 -1.084 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000820722821 607220527 /nfs/dbraw/zinc/22/05/27/607220527.db2.gz PKKJQUARKYSDEH-VIFPVBQESA-N 1 1 305.346 -1.084 20 0 DAADMO OC[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1O ZINC001199941543 782188704 /nfs/dbraw/zinc/18/87/04/782188704.db2.gz PNKBQEHMXVPXJB-NWDGAFQWSA-N 1 1 303.428 -1.132 20 0 DAADMO NC(=O)[C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)CCO1 ZINC001199945210 782189544 /nfs/dbraw/zinc/18/95/44/782189544.db2.gz AFFLEQAZAZWQGC-NSHDSACASA-N 1 1 316.427 -1.231 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900429487 662776914 /nfs/dbraw/zinc/77/69/14/662776914.db2.gz LNOXNBRSYXFRIS-PWSUYJOCSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900429487 662776916 /nfs/dbraw/zinc/77/69/16/662776916.db2.gz LNOXNBRSYXFRIS-PWSUYJOCSA-N 1 1 307.416 -1.115 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900623150 662778334 /nfs/dbraw/zinc/77/83/34/662778334.db2.gz JQIQCBHRPKHFSB-NSHDSACASA-N 1 1 305.400 -1.285 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000901175479 662781172 /nfs/dbraw/zinc/78/11/72/662781172.db2.gz PUYDSIIVGSGPFL-UMNHJUIQSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000901175479 662781174 /nfs/dbraw/zinc/78/11/74/662781174.db2.gz PUYDSIIVGSGPFL-UMNHJUIQSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCS(C)(=O)=O ZINC000903576611 662790282 /nfs/dbraw/zinc/79/02/82/662790282.db2.gz MOLWCSOCUZDPML-SNVBAGLBSA-N 1 1 314.429 -1.329 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912607517 663153880 /nfs/dbraw/zinc/15/38/80/663153880.db2.gz GWLNYENQBUVIGA-NSHDSACASA-N 1 1 309.432 -1.057 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NS(N)(=O)=O)C1)[C@@H]1CCSC1 ZINC000913056606 663156064 /nfs/dbraw/zinc/15/60/64/663156064.db2.gz WJNQFNRDPWYUPE-SECBINFHSA-N 1 1 308.429 -1.572 20 0 DAADMO COC[C@H](CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1)OC ZINC000920528570 663306606 /nfs/dbraw/zinc/30/66/06/663306606.db2.gz ZNVKXNAYOSPLHN-LLVKDONJSA-N 1 1 323.415 -1.659 20 0 DAADMO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+](C)CCOCCO ZINC000922110125 663622099 /nfs/dbraw/zinc/62/20/99/663622099.db2.gz WYXJZQKLVPLXDP-OCCSQVGLSA-N 1 1 303.403 -1.502 20 0 DAADMO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+](C)CCOCCO ZINC000922110125 663622100 /nfs/dbraw/zinc/62/21/00/663622100.db2.gz WYXJZQKLVPLXDP-OCCSQVGLSA-N 1 1 303.403 -1.502 20 0 DAADMO O=S(=O)(C1CN(C[C@H](O)C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000923434066 663697049 /nfs/dbraw/zinc/69/70/49/663697049.db2.gz OTXSJKCPLWXBNR-VIFPVBQESA-N 1 1 317.333 -1.171 20 0 DAADMO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[S@@](C)=O ZINC000804998702 663803128 /nfs/dbraw/zinc/80/31/28/663803128.db2.gz KNGZLOSBPQFCDS-OAQYLSRUSA-N 1 1 320.459 -1.567 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748569741 663800629 /nfs/dbraw/zinc/80/06/29/663800629.db2.gz ZZAMIDLXHMAUIE-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748569741 663800630 /nfs/dbraw/zinc/80/06/30/663800630.db2.gz ZZAMIDLXHMAUIE-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000825526789 663865155 /nfs/dbraw/zinc/86/51/55/663865155.db2.gz JLGALTKJESDTCK-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000869776303 663935890 /nfs/dbraw/zinc/93/58/90/663935890.db2.gz BPGKBQOSHPEGJS-UWVGGRQHSA-N 1 1 305.400 -1.361 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)S(C)(=O)=O ZINC000869784270 663936709 /nfs/dbraw/zinc/93/67/09/663936709.db2.gz QYTFYEKVECMVJY-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CCO[C@@H](CNS(=O)(=O)C[C@@H]1CNCCO1)C[NH+](C)C ZINC000923676475 663952145 /nfs/dbraw/zinc/95/21/45/663952145.db2.gz PPNLODPXLIVFRZ-RYUDHWBXSA-N 1 1 309.432 -1.139 20 0 DAADMO C[N@H+](CCNS(=O)(=O)C[C@@H]1CCOC1)CCOCCO ZINC000882755190 663960597 /nfs/dbraw/zinc/96/05/97/663960597.db2.gz AOIZERAONVPEES-GFCCVEGCSA-N 1 1 310.416 -1.117 20 0 DAADMO C[N@@H+](CCNS(=O)(=O)C[C@@H]1CCOC1)CCOCCO ZINC000882755190 663960600 /nfs/dbraw/zinc/96/06/00/663960600.db2.gz AOIZERAONVPEES-GFCCVEGCSA-N 1 1 310.416 -1.117 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949239553 662305142 /nfs/dbraw/zinc/30/51/42/662305142.db2.gz SGCXVOARCXBKFS-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949239553 662305143 /nfs/dbraw/zinc/30/51/43/662305143.db2.gz SGCXVOARCXBKFS-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC001020386705 662305599 /nfs/dbraw/zinc/30/55/99/662305599.db2.gz FESBLKUEYVRGAU-JBLDHEPKSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC001020386705 662305601 /nfs/dbraw/zinc/30/56/01/662305601.db2.gz FESBLKUEYVRGAU-JBLDHEPKSA-N 1 1 322.369 -1.146 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242908 662305766 /nfs/dbraw/zinc/30/57/66/662305766.db2.gz HEVKTKKWMQPLKK-GXSJLCMTSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242908 662305771 /nfs/dbraw/zinc/30/57/71/662305771.db2.gz HEVKTKKWMQPLKK-GXSJLCMTSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnns3)C2)c1=O ZINC000969140824 662306071 /nfs/dbraw/zinc/30/60/71/662306071.db2.gz SYGVMOQDKNYGKQ-SECBINFHSA-N 1 1 323.382 -1.176 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242909 662306098 /nfs/dbraw/zinc/30/60/98/662306098.db2.gz HEVKTKKWMQPLKK-KOLCDFICSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242909 662306102 /nfs/dbraw/zinc/30/61/02/662306102.db2.gz HEVKTKKWMQPLKK-KOLCDFICSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC000969140381 662306221 /nfs/dbraw/zinc/30/62/21/662306221.db2.gz BZDZEYDVKNTDRS-SECBINFHSA-N 1 1 307.314 -1.645 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191298 662307594 /nfs/dbraw/zinc/30/75/94/662307594.db2.gz WJXJBDQMNFIMQL-JFGNBEQYSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)C1 ZINC000969191298 662307597 /nfs/dbraw/zinc/30/75/97/662307597.db2.gz WJXJBDQMNFIMQL-JFGNBEQYSA-N 1 1 324.337 -1.693 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001020431234 662309127 /nfs/dbraw/zinc/30/91/27/662309127.db2.gz AEVSBUAEMORUAV-KYZUINATSA-N 1 1 319.325 -1.047 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCOCC2)C1 ZINC001039025990 662310552 /nfs/dbraw/zinc/31/05/52/662310552.db2.gz CAQPLLJKYXSRCM-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020463395 662310587 /nfs/dbraw/zinc/31/05/87/662310587.db2.gz AOZMESXIQZSLJN-XYPYZODXSA-N 1 1 321.385 -2.016 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001020463719 662310853 /nfs/dbraw/zinc/31/08/53/662310853.db2.gz HPJMULIKQRUVEO-XYPYZODXSA-N 1 1 322.369 -1.453 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1)c1nnnn1C ZINC001020467847 662311344 /nfs/dbraw/zinc/31/13/44/662311344.db2.gz KTRJBSDDZMKDOK-XKNYDFJKSA-N 1 1 307.358 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCN2C(=O)CNC2=O)C1 ZINC001039028540 662311597 /nfs/dbraw/zinc/31/15/97/662311597.db2.gz PWUXNSSJZNSHBE-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1)c1nnnn1C ZINC001020467848 662311794 /nfs/dbraw/zinc/31/17/94/662311794.db2.gz KTRJBSDDZMKDOK-ZYUZMQFOSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001020471084 662312233 /nfs/dbraw/zinc/31/22/33/662312233.db2.gz VKJDRZUTXLPKLN-QXEWZRGKSA-N 1 1 307.358 -1.425 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001020471206 662312415 /nfs/dbraw/zinc/31/24/15/662312415.db2.gz YXUSYUWGARCZRU-AATLWQCWSA-N 1 1 322.373 -1.469 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001020478775 662312661 /nfs/dbraw/zinc/31/26/61/662312661.db2.gz ZRVOLYPUVODVRD-KYZUINATSA-N 1 1 305.346 -1.128 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC001020476594 662312695 /nfs/dbraw/zinc/31/26/95/662312695.db2.gz AUMSGQWBYIXUSK-GARJFASQSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC001020476594 662312697 /nfs/dbraw/zinc/31/26/97/662312697.db2.gz AUMSGQWBYIXUSK-GARJFASQSA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001020480177 662313410 /nfs/dbraw/zinc/31/34/10/662313410.db2.gz UEHCWWDQJDWVHD-KYZUINATSA-N 1 1 320.361 -1.172 20 0 DAADMO C[C@H](NC(=O)c1nccnc1N)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969425090 662314929 /nfs/dbraw/zinc/31/49/29/662314929.db2.gz VXOOXUORUIHMIM-WPRPVWTQSA-N 1 1 304.354 -1.003 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001020531921 662316776 /nfs/dbraw/zinc/31/67/76/662316776.db2.gz AWPOAVBCVDUXBP-FXPVBKGRSA-N 1 1 307.358 -1.284 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001020531552 662317024 /nfs/dbraw/zinc/31/70/24/662317024.db2.gz VYOMTOYENZCPLM-CIUDSAMLSA-N 1 1 324.341 -1.366 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@@H](O)C1 ZINC000969438579 662317342 /nfs/dbraw/zinc/31/73/42/662317342.db2.gz SNAVQGZKYAPXLG-BFVZDQMLSA-N 1 1 310.354 -2.355 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001020547631 662319024 /nfs/dbraw/zinc/31/90/24/662319024.db2.gz WJPNVVQCODZLBE-ZKCHVHJHSA-N 1 1 306.330 -1.300 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000969481037 662319081 /nfs/dbraw/zinc/31/90/81/662319081.db2.gz AWXODDVMGPWXFR-MXWKQRLJSA-N 1 1 322.369 -1.491 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1O ZINC000969540214 662321603 /nfs/dbraw/zinc/32/16/03/662321603.db2.gz CYWUTMKGLMINSX-FVCCEPFGSA-N 1 1 311.382 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC000969555643 662321920 /nfs/dbraw/zinc/32/19/20/662321920.db2.gz OKVYUFYNPYPWAT-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000969575681 662322452 /nfs/dbraw/zinc/32/24/52/662322452.db2.gz ZRTXMPXBRZQJCB-RNCFNFMXSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969573643 662322549 /nfs/dbraw/zinc/32/25/49/662322549.db2.gz LFOYMXARNDYRDB-WCBMZHEXSA-N 1 1 308.338 -1.083 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC000969575685 662322557 /nfs/dbraw/zinc/32/25/57/662322557.db2.gz ZRTXMPXBRZQJCB-ZANVPECISA-N 1 1 308.382 -1.210 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC000969572620 662322596 /nfs/dbraw/zinc/32/25/96/662322596.db2.gz FWWGHMLLYMHVPZ-LLVKDONJSA-N 1 1 321.385 -2.063 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC000969572421 662322724 /nfs/dbraw/zinc/32/27/24/662322724.db2.gz ASTZWWQJFTXVEK-LLVKDONJSA-N 1 1 321.385 -1.765 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969567816 662322829 /nfs/dbraw/zinc/32/28/29/662322829.db2.gz WJOBCWLHBAFRBA-LLVKDONJSA-N 1 1 321.385 -2.063 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000969586022 662323249 /nfs/dbraw/zinc/32/32/49/662323249.db2.gz FQFQZWLQMKBSBQ-BDAKNGLRSA-N 1 1 308.346 -2.076 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000969587633 662323270 /nfs/dbraw/zinc/32/32/70/662323270.db2.gz VHAKFKZTGMIBMQ-NXEZZACHSA-N 1 1 307.358 -1.471 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)[nH]1 ZINC000969586210 662323283 /nfs/dbraw/zinc/32/32/83/662323283.db2.gz IKUNRZZPXLAILD-ZJUUUORDSA-N 1 1 307.358 -1.173 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC000969643873 662324153 /nfs/dbraw/zinc/32/41/53/662324153.db2.gz ASIDONFHEFENTN-PWSUYJOCSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000969637225 662324303 /nfs/dbraw/zinc/32/43/03/662324303.db2.gz HSNVIROTJHGVEN-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000969740541 662325617 /nfs/dbraw/zinc/32/56/17/662325617.db2.gz NUMPNJCGTDFGIC-BBBLOLIVSA-N 1 1 310.358 -1.554 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)[NH+](C)C ZINC000969740541 662325619 /nfs/dbraw/zinc/32/56/19/662325619.db2.gz NUMPNJCGTDFGIC-BBBLOLIVSA-N 1 1 310.358 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC000969754986 662328482 /nfs/dbraw/zinc/32/84/82/662328482.db2.gz QIDYIJZOWCQPKK-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000969754986 662328484 /nfs/dbraw/zinc/32/84/84/662328484.db2.gz QIDYIJZOWCQPKK-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC000969754986 662328486 /nfs/dbraw/zinc/32/84/86/662328486.db2.gz QIDYIJZOWCQPKK-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)CC[N@@H+]1C ZINC000969754986 662328487 /nfs/dbraw/zinc/32/84/87/662328487.db2.gz QIDYIJZOWCQPKK-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)CC[N@H+]1C ZINC000969754986 662328488 /nfs/dbraw/zinc/32/84/88/662328488.db2.gz QIDYIJZOWCQPKK-DBIOUOCHSA-N 1 1 322.369 -1.554 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969766324 662328672 /nfs/dbraw/zinc/32/86/72/662328672.db2.gz LQFYPGDGSOJQMX-PSASIEDQSA-N 1 1 320.357 -1.620 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766772 662329032 /nfs/dbraw/zinc/32/90/32/662329032.db2.gz PXKYWNUTKLFXIJ-ZJUUUORDSA-N 1 1 322.373 -1.374 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1C ZINC000969765263 662329035 /nfs/dbraw/zinc/32/90/35/662329035.db2.gz BTOSYJVKRNMZTG-ZJUUUORDSA-N 1 1 321.385 -1.251 20 0 DAADMO Cn1ncc2c1nc(C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC000969776422 662329313 /nfs/dbraw/zinc/32/93/13/662329313.db2.gz BIMIBYWIVJFHMG-SSDOTTSWSA-N 1 1 319.325 -1.755 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969781167 662329442 /nfs/dbraw/zinc/32/94/42/662329442.db2.gz CXHTYVBPESTVJQ-AXFHLTTASA-N 1 1 310.354 -1.996 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969781167 662329444 /nfs/dbraw/zinc/32/94/44/662329444.db2.gz CXHTYVBPESTVJQ-AXFHLTTASA-N 1 1 310.354 -1.996 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)c1nnnn1C ZINC000969792861 662330816 /nfs/dbraw/zinc/33/08/16/662330816.db2.gz UQGKMFDVPWVUEJ-RKDXNWHRSA-N 1 1 307.358 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969792998 662331002 /nfs/dbraw/zinc/33/10/02/662331002.db2.gz BIJDNHLDLYZWAF-WYUUTHIRSA-N 1 1 308.382 -1.129 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000969791343 662331020 /nfs/dbraw/zinc/33/10/20/662331020.db2.gz SPBRYKWGIMVZSF-BBBLOLIVSA-N 1 1 323.357 -2.537 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969797743 662331674 /nfs/dbraw/zinc/33/16/74/662331674.db2.gz NOURCOZLDRTMNG-PHIMTYICSA-N 1 1 305.338 -1.121 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC000969797089 662331760 /nfs/dbraw/zinc/33/17/60/662331760.db2.gz PMKWCLPSGXEOFK-PHIMTYICSA-N 1 1 305.338 -1.121 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1 ZINC000969829737 662332788 /nfs/dbraw/zinc/33/27/88/662332788.db2.gz OAQYGBMBPRTUCF-PRFQISJJSA-N 1 1 323.393 -1.482 20 0 DAADMO CN1CC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC000969827111 662333240 /nfs/dbraw/zinc/33/32/40/662333240.db2.gz KGFYTDCXFGRZMU-BDAKNGLRSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC000969849473 662333376 /nfs/dbraw/zinc/33/33/76/662333376.db2.gz AOEVHLQPVLGZML-RNCFNFMXSA-N 1 1 307.358 -1.431 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000969861286 662333640 /nfs/dbraw/zinc/33/36/40/662333640.db2.gz JEDOKOZAYXMGAZ-RKDXNWHRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969878486 662333720 /nfs/dbraw/zinc/33/37/20/662333720.db2.gz RIZJFUQIWPXTQD-BXKDBHETSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000969861285 662333731 /nfs/dbraw/zinc/33/37/31/662333731.db2.gz JEDOKOZAYXMGAZ-IUCAKERBSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCC(=O)N1 ZINC001020611671 662333883 /nfs/dbraw/zinc/33/38/83/662333883.db2.gz OCZPGPSONXWMFT-DBIOUOCHSA-N 1 1 321.385 -1.138 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000969930220 662334723 /nfs/dbraw/zinc/33/47/23/662334723.db2.gz CZFOHWSMVGAVFB-OUAUKWLOSA-N 1 1 322.369 -1.462 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001020646430 662334983 /nfs/dbraw/zinc/33/49/83/662334983.db2.gz YTUWIBZSGISTRF-ZKWXMUAHSA-N 1 1 308.298 -1.596 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001020647199 662335012 /nfs/dbraw/zinc/33/50/12/662335012.db2.gz MLPXLYJTBWNPFT-CIUDSAMLSA-N 1 1 322.325 -1.287 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ccncn3)[C@@H](O)C2)C1 ZINC000969973504 662335319 /nfs/dbraw/zinc/33/53/19/662335319.db2.gz UDQVJOIBAAOKCO-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC000969963686 662335524 /nfs/dbraw/zinc/33/55/24/662335524.db2.gz AWJWDQKAGWDEMH-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000969987704 662336279 /nfs/dbraw/zinc/33/62/79/662336279.db2.gz NVEHMSSGOAEQNH-VWYCJHECSA-N 1 1 309.326 -1.535 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000969994600 662336359 /nfs/dbraw/zinc/33/63/59/662336359.db2.gz YOGBAEPXBJWYOF-JLLWLGSASA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000969999118 662336658 /nfs/dbraw/zinc/33/66/58/662336658.db2.gz HQADPBZSONLQNA-WCQGTBRESA-N 1 1 323.353 -1.287 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000970001190 662336787 /nfs/dbraw/zinc/33/67/87/662336787.db2.gz IHOALDCGFBFESX-MNOVXSKESA-N 1 1 320.309 -1.424 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000970000432 662337512 /nfs/dbraw/zinc/33/75/12/662337512.db2.gz ZQGMUWFLNHXMTD-GDPRMGEGSA-N 1 1 309.326 -1.677 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970005737 662337877 /nfs/dbraw/zinc/33/78/77/662337877.db2.gz JPZKRTFPKOLWRG-GFCCVEGCSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970005737 662337880 /nfs/dbraw/zinc/33/78/80/662337880.db2.gz JPZKRTFPKOLWRG-GFCCVEGCSA-N 1 1 321.385 -1.047 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000888976122 662338382 /nfs/dbraw/zinc/33/83/82/662338382.db2.gz BFOZUDBRWDXBFX-AWEZNQCLSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cccnn3)[C@@H](O)C2)C1 ZINC000970037401 662339732 /nfs/dbraw/zinc/33/97/32/662339732.db2.gz USYWAJSSVDKOGL-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CS(C)(=O)=O)CC2)C1 ZINC001010581767 662340125 /nfs/dbraw/zinc/34/01/25/662340125.db2.gz UVPXGSBHYCZVAP-LLVKDONJSA-N 1 1 317.411 -1.347 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020759283 662341296 /nfs/dbraw/zinc/34/12/96/662341296.db2.gz IVCJXHFXQHKRST-MGCOHNPYSA-N 1 1 307.310 -1.037 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1 ZINC000970091934 662341667 /nfs/dbraw/zinc/34/16/67/662341667.db2.gz VMIUFIUYEWDFHS-UTUOFQBUSA-N 1 1 321.381 -1.408 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001021023922 662347278 /nfs/dbraw/zinc/34/72/78/662347278.db2.gz SRTKGVUUIFJZLY-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO CC(C)[NH+]1CC([C@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192738 662349104 /nfs/dbraw/zinc/34/91/04/662349104.db2.gz FRJZPUKYVPWMSR-ONGXEEELSA-N 1 1 317.411 -1.256 20 0 DAADMO CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192483 662349163 /nfs/dbraw/zinc/34/91/63/662349163.db2.gz CHLORPZBEFBWIA-SCZZXKLOSA-N 1 1 303.384 -1.644 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970202613 662350214 /nfs/dbraw/zinc/35/02/14/662350214.db2.gz QTCZOFMIELRIDK-MXWKQRLJSA-N 1 1 312.370 -1.968 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970207897 662350933 /nfs/dbraw/zinc/35/09/33/662350933.db2.gz CQHJAEMYXFMVNU-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)n(C)c1=O ZINC001021104088 662354057 /nfs/dbraw/zinc/35/40/57/662354057.db2.gz UYYRKBAXKHCPKQ-MGCOHNPYSA-N 1 1 319.369 -1.097 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970267250 662355704 /nfs/dbraw/zinc/35/57/04/662355704.db2.gz DJIZYOMJCQKBQL-CABZTGNLSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970272177 662356055 /nfs/dbraw/zinc/35/60/55/662356055.db2.gz AYNUPEFNUNWHCO-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970271445 662356311 /nfs/dbraw/zinc/35/63/11/662356311.db2.gz OMUAUDGQIVQWEJ-ONGXEEELSA-N 1 1 311.386 -1.465 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000970283623 662356630 /nfs/dbraw/zinc/35/66/30/662356630.db2.gz WFRHUAZBZNABPG-SNVBAGLBSA-N 1 1 318.337 -1.281 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970287615 662356656 /nfs/dbraw/zinc/35/66/56/662356656.db2.gz JKIINCQKLIIWRU-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000970287831 662356693 /nfs/dbraw/zinc/35/66/93/662356693.db2.gz MJVFYEMTWNPIEJ-IUCAKERBSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000970287003 662356785 /nfs/dbraw/zinc/35/67/85/662356785.db2.gz GOYCOXPBXYJKMN-SCZZXKLOSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000970287829 662356924 /nfs/dbraw/zinc/35/69/24/662356924.db2.gz MJVFYEMTWNPIEJ-BDAKNGLRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970288496 662356956 /nfs/dbraw/zinc/35/69/56/662356956.db2.gz SOFMXRYWWPKSOU-IONNQARKSA-N 1 1 321.341 -1.935 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970283684 662357010 /nfs/dbraw/zinc/35/70/10/662357010.db2.gz YTGMZOBPNTVVCW-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3nnn(C)n3)C2)C1=O ZINC000970288860 662357065 /nfs/dbraw/zinc/35/70/65/662357065.db2.gz YEYPHULYZIBKFL-ONGXEEELSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000970287005 662357077 /nfs/dbraw/zinc/35/70/77/662357077.db2.gz GOYCOXPBXYJKMN-WPRPVWTQSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970288495 662357080 /nfs/dbraw/zinc/35/70/80/662357080.db2.gz SOFMXRYWWPKSOU-CBAPKCEASA-N 1 1 321.341 -1.935 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC000970299214 662357571 /nfs/dbraw/zinc/35/75/71/662357571.db2.gz BHJWMHKFJKMBFS-LPWJVIDDSA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000970324796 662358172 /nfs/dbraw/zinc/35/81/72/662358172.db2.gz QSPAUKWDARSNPW-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC001021148647 662358499 /nfs/dbraw/zinc/35/84/99/662358499.db2.gz LDZOUMIRNZYJGF-OPRDCNLKSA-N 1 1 320.353 -1.395 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021148654 662358568 /nfs/dbraw/zinc/35/85/68/662358568.db2.gz LJWWPKFNUNWTSZ-IWSPIJDZSA-N 1 1 307.310 -1.141 20 0 DAADMO O=C(Cn1cnnn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001021186454 662359015 /nfs/dbraw/zinc/35/90/15/662359015.db2.gz AKZWEMFWZIFAQW-YATPEIPISA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001021186452 662359317 /nfs/dbraw/zinc/35/93/17/662359317.db2.gz AKZWEMFWZIFAQW-FGNRJIRKSA-N 1 1 319.369 -1.327 20 0 DAADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970354874 662359588 /nfs/dbraw/zinc/35/95/88/662359588.db2.gz UZHKDWXRALKJFT-JOYOIKCWSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970431942 662361198 /nfs/dbraw/zinc/36/11/98/662361198.db2.gz UXANMCAJPOMBSK-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021264681 662362068 /nfs/dbraw/zinc/36/20/68/662362068.db2.gz YEYVEBMJSAFXLD-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021264681 662362072 /nfs/dbraw/zinc/36/20/72/662362072.db2.gz YEYVEBMJSAFXLD-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO Cn1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1=O ZINC001021285754 662362874 /nfs/dbraw/zinc/36/28/74/662362874.db2.gz QUGXGBAUGHPUKF-FGWVZKOKSA-N 1 1 319.365 -1.009 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676529 662363269 /nfs/dbraw/zinc/36/32/69/662363269.db2.gz GAZWYPXNRSRRLY-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676529 662363271 /nfs/dbraw/zinc/36/32/71/662363271.db2.gz GAZWYPXNRSRRLY-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136681 662363927 /nfs/dbraw/zinc/36/39/27/662363927.db2.gz MFTPSWORDVBCGN-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N2CCC2)C1 ZINC001038136681 662363931 /nfs/dbraw/zinc/36/39/31/662363931.db2.gz MFTPSWORDVBCGN-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010696071 662364112 /nfs/dbraw/zinc/36/41/12/662364112.db2.gz GIWHLSRJXDEOSV-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576734 662364604 /nfs/dbraw/zinc/36/46/04/662364604.db2.gz FEHUSRCZPOJHPO-GZMMTYOYSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970577795 662364611 /nfs/dbraw/zinc/36/46/11/662364611.db2.gz QZSIYRMCXRGGPS-YUMQZZPRSA-N 1 1 310.354 -1.651 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576970 662364800 /nfs/dbraw/zinc/36/48/00/662364800.db2.gz HAFZATMOLNDGOC-DTWKUNHWSA-N 1 1 324.381 -1.390 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970576480 662364992 /nfs/dbraw/zinc/36/49/92/662364992.db2.gz BVLJCKWLUSPCCB-KCJUWKMLSA-N 1 1 322.365 -1.636 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576971 662365017 /nfs/dbraw/zinc/36/50/17/662365017.db2.gz HAFZATMOLNDGOC-IUCAKERBSA-N 1 1 324.381 -1.390 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700444 662365323 /nfs/dbraw/zinc/36/53/23/662365323.db2.gz YDJZDIHDQWGPGW-UWVGGRQHSA-N 1 1 308.342 -1.595 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700444 662365327 /nfs/dbraw/zinc/36/53/27/662365327.db2.gz YDJZDIHDQWGPGW-UWVGGRQHSA-N 1 1 308.342 -1.595 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001021365849 662365718 /nfs/dbraw/zinc/36/57/18/662365718.db2.gz FUIMHXVRWHKTHM-FWKUWYBHSA-N 1 1 308.338 -1.612 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000970641614 662366309 /nfs/dbraw/zinc/36/63/09/662366309.db2.gz XUDPZXWKHGKPHQ-MXWKQRLJSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000970641614 662366311 /nfs/dbraw/zinc/36/63/11/662366311.db2.gz XUDPZXWKHGKPHQ-MXWKQRLJSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000970646622 662366374 /nfs/dbraw/zinc/36/63/74/662366374.db2.gz PKAKSEVZGJRDIF-WCQGTBRESA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000970638325 662366515 /nfs/dbraw/zinc/36/65/15/662366515.db2.gz PELNTUKJUHTWLJ-JLLWLGSASA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000970638325 662366517 /nfs/dbraw/zinc/36/65/17/662366517.db2.gz PELNTUKJUHTWLJ-JLLWLGSASA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970623393 662366588 /nfs/dbraw/zinc/36/65/88/662366588.db2.gz PZOJDGWKPUIPFU-GMSGAONNSA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970623394 662366604 /nfs/dbraw/zinc/36/66/04/662366604.db2.gz PZOJDGWKPUIPFU-OIBJUYFYSA-N 1 1 307.310 -1.075 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)[nH]1 ZINC000970662636 662366851 /nfs/dbraw/zinc/36/68/51/662366851.db2.gz YNBWMGNKOGHWHL-SECBINFHSA-N 1 1 321.341 -1.645 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1=O ZINC000970667553 662367379 /nfs/dbraw/zinc/36/73/79/662367379.db2.gz HLSIQNAJLWCAIT-SECBINFHSA-N 1 1 322.325 -1.346 20 0 DAADMO Cn1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)ccc1=O ZINC001021453784 662368255 /nfs/dbraw/zinc/36/82/55/662368255.db2.gz WOTTZRCVADWJON-FGWVZKOKSA-N 1 1 319.365 -1.009 20 0 DAADMO C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000949365831 662368367 /nfs/dbraw/zinc/36/83/67/662368367.db2.gz ILYBMIARZZKYMI-LBPRGKRZSA-N 1 1 324.385 -1.253 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021454785 662368815 /nfs/dbraw/zinc/36/88/15/662368815.db2.gz XWUMPFJUTNJUOB-FGWVZKOKSA-N 1 1 310.354 -1.358 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970760399 662369967 /nfs/dbraw/zinc/36/99/67/662369967.db2.gz OHYBMRVLIVUKAT-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000970784918 662370487 /nfs/dbraw/zinc/37/04/87/662370487.db2.gz VXDMCMKKVIEEHU-MXWKQRLJSA-N 1 1 324.385 -1.625 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC000970818882 662372010 /nfs/dbraw/zinc/37/20/10/662372010.db2.gz KEUIIHIQSXRKMG-SNVBAGLBSA-N 1 1 319.369 -1.143 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000970845783 662373051 /nfs/dbraw/zinc/37/30/51/662373051.db2.gz NXRVPYFUMXPQRV-DTWKUNHWSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970845784 662373089 /nfs/dbraw/zinc/37/30/89/662373089.db2.gz NXRVPYFUMXPQRV-IUCAKERBSA-N 1 1 307.354 -1.296 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1COC(=O)N1 ZINC001010816419 662373385 /nfs/dbraw/zinc/37/33/85/662373385.db2.gz NGJXKUCGVWABIY-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000970863818 662373428 /nfs/dbraw/zinc/37/34/28/662373428.db2.gz HWJLXIRPABIJPC-ZJUUUORDSA-N 1 1 322.373 -1.556 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1COC(=O)N1 ZINC001010819926 662373445 /nfs/dbraw/zinc/37/34/45/662373445.db2.gz XFSQWEBYFVOPEI-VHSXEESVSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1COC(=O)N1 ZINC001010819922 662373531 /nfs/dbraw/zinc/37/35/31/662373531.db2.gz XFSQWEBYFVOPEI-NXEZZACHSA-N 1 1 324.337 -1.566 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000970895101 662374297 /nfs/dbraw/zinc/37/42/97/662374297.db2.gz YHMRXEYUPBEJJA-VHSXEESVSA-N 1 1 320.353 -1.442 20 0 DAADMO COCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC000970912059 662374678 /nfs/dbraw/zinc/37/46/78/662374678.db2.gz ZCUGJPNTPZZCAI-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC000970912059 662374680 /nfs/dbraw/zinc/37/46/80/662374680.db2.gz ZCUGJPNTPZZCAI-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccnnc2)[C@@H](O)C1 ZINC000970906411 662374725 /nfs/dbraw/zinc/37/47/25/662374725.db2.gz URRMDCFRCQUIGJ-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021587638 662375087 /nfs/dbraw/zinc/37/50/87/662375087.db2.gz MQKKCGDHTCQVJX-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)C1 ZINC000970956082 662375702 /nfs/dbraw/zinc/37/57/02/662375702.db2.gz BYDDXPGMWYJGPK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)C1 ZINC000970956082 662375704 /nfs/dbraw/zinc/37/57/04/662375704.db2.gz BYDDXPGMWYJGPK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)C1 ZINC000970956082 662375705 /nfs/dbraw/zinc/37/57/05/662375705.db2.gz BYDDXPGMWYJGPK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970942680 662375825 /nfs/dbraw/zinc/37/58/25/662375825.db2.gz UFLXRXALKIXMSD-IUCAKERBSA-N 1 1 309.370 -1.352 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001038200645 662376343 /nfs/dbraw/zinc/37/63/43/662376343.db2.gz DIEIAFQKZNXUOT-ZDUSSCGKSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)C1 ZINC001038200645 662376345 /nfs/dbraw/zinc/37/63/45/662376345.db2.gz DIEIAFQKZNXUOT-ZDUSSCGKSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955088493 662376629 /nfs/dbraw/zinc/37/66/29/662376629.db2.gz KZYQMEQZNLIGBK-NSHDSACASA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955088493 662376632 /nfs/dbraw/zinc/37/66/32/662376632.db2.gz KZYQMEQZNLIGBK-NSHDSACASA-N 1 1 309.326 -1.317 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@H]32)c1=O ZINC001021618212 662376994 /nfs/dbraw/zinc/37/69/94/662376994.db2.gz CQPQSFGFRDOHQX-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021652218 662377173 /nfs/dbraw/zinc/37/71/73/662377173.db2.gz HUASULKEKJUTSO-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001010878965 662377319 /nfs/dbraw/zinc/37/73/19/662377319.db2.gz TXUPXZUHAIUZPH-NSHDSACASA-N 1 1 309.326 -1.315 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001010878965 662377321 /nfs/dbraw/zinc/37/73/21/662377321.db2.gz TXUPXZUHAIUZPH-NSHDSACASA-N 1 1 309.326 -1.315 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)CC[C@H]32)n1 ZINC001021647058 662377459 /nfs/dbraw/zinc/37/74/59/662377459.db2.gz VFOHQTWTWWHDBZ-VHSXEESVSA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)n1 ZINC001021647058 662377461 /nfs/dbraw/zinc/37/74/61/662377461.db2.gz VFOHQTWTWWHDBZ-VHSXEESVSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000932908576 662377567 /nfs/dbraw/zinc/37/75/67/662377567.db2.gz VSXPQVYASKXMKU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001010878974 662377752 /nfs/dbraw/zinc/37/77/52/662377752.db2.gz UBKDXXQLVIRFJT-NSHDSACASA-N 1 1 308.342 -1.580 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001010878974 662377755 /nfs/dbraw/zinc/37/77/55/662377755.db2.gz UBKDXXQLVIRFJT-NSHDSACASA-N 1 1 308.342 -1.580 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC000971045280 662377922 /nfs/dbraw/zinc/37/79/22/662377922.db2.gz MGISOLCDNIKQML-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC000971045277 662377980 /nfs/dbraw/zinc/37/79/80/662377980.db2.gz MGISOLCDNIKQML-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021687543 662378130 /nfs/dbraw/zinc/37/81/30/662378130.db2.gz INJDZTVKVSLOMK-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971044968 662378316 /nfs/dbraw/zinc/37/83/16/662378316.db2.gz KWDSALITEAZONX-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021730665 662379203 /nfs/dbraw/zinc/37/92/03/662379203.db2.gz PKPKTDRCPOHAGK-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933096833 662379842 /nfs/dbraw/zinc/37/98/42/662379842.db2.gz OWNPMYNCZCHYSF-VXGBXAGGSA-N 1 1 322.431 -2.240 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCN3[C@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000933095500 662379931 /nfs/dbraw/zinc/37/99/31/662379931.db2.gz IHKYBLOCWUIANV-FRRDWIJNSA-N 1 1 318.443 -1.070 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCN3[C@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000933095500 662379934 /nfs/dbraw/zinc/37/99/34/662379934.db2.gz IHKYBLOCWUIANV-FRRDWIJNSA-N 1 1 318.443 -1.070 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098472 662379957 /nfs/dbraw/zinc/37/99/57/662379957.db2.gz FUQFXEAORDLRLY-GXSJLCMTSA-N 1 1 307.372 -1.865 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098472 662379961 /nfs/dbraw/zinc/37/99/61/662379961.db2.gz FUQFXEAORDLRLY-GXSJLCMTSA-N 1 1 307.372 -1.865 20 0 DAADMO C[C@](O)(C[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095666 662380107 /nfs/dbraw/zinc/38/01/07/662380107.db2.gz GCHSHTUTONMSDQ-XQQFMLRXSA-N 1 1 319.427 -1.267 20 0 DAADMO C[C@](O)(C[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095666 662380108 /nfs/dbraw/zinc/38/01/08/662380108.db2.gz GCHSHTUTONMSDQ-XQQFMLRXSA-N 1 1 319.427 -1.267 20 0 DAADMO CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971269839 662380402 /nfs/dbraw/zinc/38/04/02/662380402.db2.gz CMCZFELNGOJIIC-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971269839 662380405 /nfs/dbraw/zinc/38/04/05/662380405.db2.gz CMCZFELNGOJIIC-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971269840 662380558 /nfs/dbraw/zinc/38/05/58/662380558.db2.gz CMCZFELNGOJIIC-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971269840 662380560 /nfs/dbraw/zinc/38/05/60/662380560.db2.gz CMCZFELNGOJIIC-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CCOC(=O)COCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100859 662380575 /nfs/dbraw/zinc/38/05/75/662380575.db2.gz NGOZCEOORBGCPP-SNVBAGLBSA-N 1 1 307.372 -1.600 20 0 DAADMO CCOC(=O)COCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100859 662380576 /nfs/dbraw/zinc/38/05/76/662380576.db2.gz NGOZCEOORBGCPP-SNVBAGLBSA-N 1 1 307.372 -1.600 20 0 DAADMO CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271075 662380594 /nfs/dbraw/zinc/38/05/94/662380594.db2.gz JWVVBHDQHUVFKT-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271075 662380595 /nfs/dbraw/zinc/38/05/95/662380595.db2.gz JWVVBHDQHUVFKT-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO O=C1CCCN1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933107083 662380674 /nfs/dbraw/zinc/38/06/74/662380674.db2.gz OYTGHQIRIPEWTC-NSHDSACASA-N 1 1 302.400 -1.167 20 0 DAADMO O=C1CCCN1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933107083 662380676 /nfs/dbraw/zinc/38/06/76/662380676.db2.gz OYTGHQIRIPEWTC-NSHDSACASA-N 1 1 302.400 -1.167 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCNC1=O ZINC000971375573 662381368 /nfs/dbraw/zinc/38/13/68/662381368.db2.gz BONAJGGQJDCGDT-UWVGGRQHSA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971375574 662381375 /nfs/dbraw/zinc/38/13/75/662381375.db2.gz BONAJGGQJDCGDT-VHSXEESVSA-N 1 1 308.342 -1.595 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001021817784 662381401 /nfs/dbraw/zinc/38/14/01/662381401.db2.gz YLQCGPLQWZBCMO-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001021817784 662381403 /nfs/dbraw/zinc/38/14/03/662381403.db2.gz YLQCGPLQWZBCMO-TUAOUCFPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@@H]1CCNC1=O ZINC000971375571 662381478 /nfs/dbraw/zinc/38/14/78/662381478.db2.gz BONAJGGQJDCGDT-NXEZZACHSA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCOCC2)C1)[C@H]1CCNC1=O ZINC000971357039 662381568 /nfs/dbraw/zinc/38/15/68/662381568.db2.gz OPJDLCNCOKWWNE-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137275 662381807 /nfs/dbraw/zinc/38/18/07/662381807.db2.gz OUQTWZVNKBZHNJ-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC(=O)NC2CC2)C1 ZINC001038137275 662381809 /nfs/dbraw/zinc/38/18/09/662381809.db2.gz OUQTWZVNKBZHNJ-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001039366910 662381913 /nfs/dbraw/zinc/38/19/13/662381913.db2.gz GGFFEITULPQTQG-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001039366910 662381917 /nfs/dbraw/zinc/38/19/17/662381917.db2.gz GGFFEITULPQTQG-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1nncc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137441 662382110 /nfs/dbraw/zinc/38/21/10/662382110.db2.gz OXRUQUJTTMHCOD-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137441 662382112 /nfs/dbraw/zinc/38/21/12/662382112.db2.gz OXRUQUJTTMHCOD-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137446 662382250 /nfs/dbraw/zinc/38/22/50/662382250.db2.gz OXRUQUJTTMHCOD-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137446 662382252 /nfs/dbraw/zinc/38/22/52/662382252.db2.gz OXRUQUJTTMHCOD-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC001021882889 662382327 /nfs/dbraw/zinc/38/23/27/662382327.db2.gz CXTBLLFOBQLLMA-PHIMTYICSA-N 1 1 304.358 -1.077 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001021928408 662382864 /nfs/dbraw/zinc/38/28/64/662382864.db2.gz PQMDRIFSLLVZAC-LOWVWBTDSA-N 1 1 308.386 -1.118 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021906366 662383131 /nfs/dbraw/zinc/38/31/31/662383131.db2.gz LMZUHUSIQSGFPU-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452603 662383647 /nfs/dbraw/zinc/38/36/47/662383647.db2.gz RTIRXKWFMBCSPM-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000971448372 662383730 /nfs/dbraw/zinc/38/37/30/662383730.db2.gz PDISKFLKTQVVCZ-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452637 662383794 /nfs/dbraw/zinc/38/37/94/662383794.db2.gz SZISIHFLLLJKPE-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452637 662383796 /nfs/dbraw/zinc/38/37/96/662383796.db2.gz SZISIHFLLLJKPE-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001021984537 662384048 /nfs/dbraw/zinc/38/40/48/662384048.db2.gz XGQOGZNPXQRYLJ-BBBLOLIVSA-N 1 1 305.346 -1.200 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001021968769 662384050 /nfs/dbraw/zinc/38/40/50/662384050.db2.gz AOKFJBMBEPPCSK-LPEHRKFASA-N 1 1 308.342 -1.100 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001021980543 662384065 /nfs/dbraw/zinc/38/40/65/662384065.db2.gz WDURLJNEOAMMRT-PHIMTYICSA-N 1 1 309.374 -1.721 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001021983415 662384068 /nfs/dbraw/zinc/38/40/68/662384068.db2.gz YBSYRJVHYMQYPG-SDDRHHMPSA-N 1 1 323.401 -1.160 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCCNC1=O ZINC000971545607 662385051 /nfs/dbraw/zinc/38/50/51/662385051.db2.gz VCIRAFAFUSUNSG-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCCNC1=O ZINC000971545604 662385113 /nfs/dbraw/zinc/38/51/13/662385113.db2.gz VCIRAFAFUSUNSG-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545061 662385157 /nfs/dbraw/zinc/38/51/57/662385157.db2.gz JIJWXOJUUFUGGQ-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545061 662385158 /nfs/dbraw/zinc/38/51/58/662385158.db2.gz JIJWXOJUUFUGGQ-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC000971545543 662385399 /nfs/dbraw/zinc/38/53/99/662385399.db2.gz TXLANYMOZMTPJX-JTQLQIEISA-N 1 1 324.381 -1.211 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC000971545543 662385400 /nfs/dbraw/zinc/38/54/00/662385400.db2.gz TXLANYMOZMTPJX-JTQLQIEISA-N 1 1 324.381 -1.211 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC000971602725 662385624 /nfs/dbraw/zinc/38/56/24/662385624.db2.gz NFLZJARWHQLOJG-VIFPVBQESA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC000971602725 662385626 /nfs/dbraw/zinc/38/56/26/662385626.db2.gz NFLZJARWHQLOJG-VIFPVBQESA-N 1 1 303.326 -1.244 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971567638 662385738 /nfs/dbraw/zinc/38/57/38/662385738.db2.gz SRBIMOIBSPQGAN-RKDXNWHRSA-N 1 1 323.357 -2.217 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022083132 662385912 /nfs/dbraw/zinc/38/59/12/662385912.db2.gz LUEAWBLKHUQMRA-AOOOYVTPSA-N 1 1 320.361 -1.323 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971609016 662386087 /nfs/dbraw/zinc/38/60/87/662386087.db2.gz QURIUKXQHLZPNS-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2nccn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971609063 662386388 /nfs/dbraw/zinc/38/63/88/662386388.db2.gz SHBHZWUFBPWPBM-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1COC(=O)N1 ZINC001038214795 662386400 /nfs/dbraw/zinc/38/64/00/662386400.db2.gz SIIVIJVAEIOGPD-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1COC(=O)N1 ZINC001038214795 662386402 /nfs/dbraw/zinc/38/64/02/662386402.db2.gz SIIVIJVAEIOGPD-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CSCC(=O)N1)[C@@H]1C[N@@H+](C)CCN1C ZINC000933385547 662386902 /nfs/dbraw/zinc/38/69/02/662386902.db2.gz FIUKAYLLOQGWQD-DCAQKATOSA-N 1 1 300.428 -1.032 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971641627 662387112 /nfs/dbraw/zinc/38/71/12/662387112.db2.gz NRFUEERYFFOURN-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971641627 662387113 /nfs/dbraw/zinc/38/71/13/662387113.db2.gz NRFUEERYFFOURN-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633011 662387200 /nfs/dbraw/zinc/38/72/00/662387200.db2.gz LFUODMCGOJOFLH-NXEZZACHSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633011 662387202 /nfs/dbraw/zinc/38/72/02/662387202.db2.gz LFUODMCGOJOFLH-NXEZZACHSA-N 1 1 310.354 -1.458 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)C1CS(=O)(=O)C1 ZINC001022133742 662387241 /nfs/dbraw/zinc/38/72/41/662387241.db2.gz GZBZKYSZTWILFZ-DTORHVGOSA-N 1 1 300.340 -1.149 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000971640758 662387251 /nfs/dbraw/zinc/38/72/51/662387251.db2.gz IEEOUHGAGUOLEK-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000971640763 662387360 /nfs/dbraw/zinc/38/73/60/662387360.db2.gz IEEOUHGAGUOLEK-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCO ZINC000947460154 662387379 /nfs/dbraw/zinc/38/73/79/662387379.db2.gz RLZWCHKMKAPEJR-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001022206981 662388201 /nfs/dbraw/zinc/38/82/01/662388201.db2.gz HVGVJWDKWNCFMW-AOOOYVTPSA-N 1 1 323.357 -2.194 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001022206928 662388281 /nfs/dbraw/zinc/38/82/81/662388281.db2.gz GYQOMZVXBJFTEU-PHIMTYICSA-N 1 1 322.369 -1.589 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001022218277 662388718 /nfs/dbraw/zinc/38/87/18/662388718.db2.gz LYIJZRSTGUGWTK-OOZYFLPDSA-N 1 1 324.366 -1.127 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022210227 662388768 /nfs/dbraw/zinc/38/87/68/662388768.db2.gz YJRMQZIBYYRXFK-AOOOYVTPSA-N 1 1 309.326 -1.335 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001022218588 662388795 /nfs/dbraw/zinc/38/87/95/662388795.db2.gz MZEXNJWMJWFPEE-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000971697668 662388798 /nfs/dbraw/zinc/38/87/98/662388798.db2.gz UDOQZAIAZASSTQ-VIFPVBQESA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000971697668 662388800 /nfs/dbraw/zinc/38/88/00/662388800.db2.gz UDOQZAIAZASSTQ-VIFPVBQESA-N 1 1 303.326 -1.016 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000971709829 662389128 /nfs/dbraw/zinc/38/91/28/662389128.db2.gz NHDZABLUNSOKCH-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022243003 662389185 /nfs/dbraw/zinc/38/91/85/662389185.db2.gz JISABXBMHLSVMM-OCAPTIKFSA-N 1 1 306.330 -1.002 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC000971725545 662389221 /nfs/dbraw/zinc/38/92/21/662389221.db2.gz IIELDIWKVJHMOC-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)n1 ZINC001022333110 662390091 /nfs/dbraw/zinc/39/00/91/662390091.db2.gz LPHZQVJEHVJDNT-AOOOYVTPSA-N 1 1 321.341 -1.290 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001038224274 662390195 /nfs/dbraw/zinc/39/01/95/662390195.db2.gz VOOJMOTWLUNVSC-VHSXEESVSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001038224274 662390197 /nfs/dbraw/zinc/39/01/97/662390197.db2.gz VOOJMOTWLUNVSC-VHSXEESVSA-N 1 1 324.337 -1.566 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001011076871 662390232 /nfs/dbraw/zinc/39/02/32/662390232.db2.gz MLGRDOLFRWGIKW-NSHDSACASA-N 1 1 321.337 -1.029 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038224790 662390498 /nfs/dbraw/zinc/39/04/98/662390498.db2.gz DDDBXZNUKHMJDM-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038224790 662390499 /nfs/dbraw/zinc/39/04/99/662390499.db2.gz DDDBXZNUKHMJDM-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001022346033 662390719 /nfs/dbraw/zinc/39/07/19/662390719.db2.gz RTNISGYJKXJKRU-LPEHRKFASA-N 1 1 307.358 -1.527 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022335341 662390879 /nfs/dbraw/zinc/39/08/79/662390879.db2.gz CRGGMFBNJGHDND-TUAOUCFPSA-N 1 1 323.401 -1.332 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001022362390 662391114 /nfs/dbraw/zinc/39/11/14/662391114.db2.gz OLAPYUPSEYNYJL-AOOOYVTPSA-N 1 1 322.373 -1.638 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001022356600 662391164 /nfs/dbraw/zinc/39/11/64/662391164.db2.gz XLMOIMVVIMTFAJ-PHIMTYICSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn[nH]3)C2)CCO1 ZINC001022354217 662391408 /nfs/dbraw/zinc/39/14/08/662391408.db2.gz JDLMJOHUTIACFP-MXWKQRLJSA-N 1 1 322.369 -1.098 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCCc1nnnn1C ZINC000933863717 662392323 /nfs/dbraw/zinc/39/23/23/662392323.db2.gz HCIBGWVJFAYLKN-LLVKDONJSA-N 1 1 323.401 -1.189 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971857608 662392362 /nfs/dbraw/zinc/39/23/62/662392362.db2.gz COXXJZWAVGCSIQ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971857385 662392439 /nfs/dbraw/zinc/39/24/39/662392439.db2.gz AUEBVPJMAJLMJP-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849730 662392544 /nfs/dbraw/zinc/39/25/44/662392544.db2.gz BIFHJXAILVVACD-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971874111 662392864 /nfs/dbraw/zinc/39/28/64/662392864.db2.gz ATJZUSNSQOSGMR-JTQLQIEISA-N 1 1 307.354 -1.244 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971874111 662392866 /nfs/dbraw/zinc/39/28/66/662392866.db2.gz ATJZUSNSQOSGMR-JTQLQIEISA-N 1 1 307.354 -1.244 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971874113 662392967 /nfs/dbraw/zinc/39/29/67/662392967.db2.gz ATJZUSNSQOSGMR-SNVBAGLBSA-N 1 1 307.354 -1.244 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971874113 662392969 /nfs/dbraw/zinc/39/29/69/662392969.db2.gz ATJZUSNSQOSGMR-SNVBAGLBSA-N 1 1 307.354 -1.244 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971886571 662393253 /nfs/dbraw/zinc/39/32/53/662393253.db2.gz XSJXNOGHZJXNLX-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971884765 662393348 /nfs/dbraw/zinc/39/33/48/662393348.db2.gz AANMMCJIDANEFM-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000971892281 662393464 /nfs/dbraw/zinc/39/34/64/662393464.db2.gz IDNIIMZGPXUWKV-MNOVXSKESA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000971892281 662393465 /nfs/dbraw/zinc/39/34/65/662393465.db2.gz IDNIIMZGPXUWKV-MNOVXSKESA-N 1 1 311.386 -1.205 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971884767 662393522 /nfs/dbraw/zinc/39/35/22/662393522.db2.gz AANMMCJIDANEFM-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971886573 662393549 /nfs/dbraw/zinc/39/35/49/662393549.db2.gz XSJXNOGHZJXNLX-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001022497483 662393722 /nfs/dbraw/zinc/39/37/22/662393722.db2.gz VGMITXYZKAJIOV-MXWKQRLJSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001022529327 662394267 /nfs/dbraw/zinc/39/42/67/662394267.db2.gz ANNONVKSWUTZJQ-OCAPTIKFSA-N 1 1 320.309 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001022540393 662394310 /nfs/dbraw/zinc/39/43/10/662394310.db2.gz WSXZAXKASMGHRR-QCLAVDOMSA-N 1 1 307.358 -1.542 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1CCNC1=O ZINC001022536939 662394519 /nfs/dbraw/zinc/39/45/19/662394519.db2.gz DITFWZVVWXVJQE-WCABBAIRSA-N 1 1 319.369 -1.119 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001022542561 662394757 /nfs/dbraw/zinc/39/47/57/662394757.db2.gz LJVXLGGKHNEMGO-AXFHLTTASA-N 1 1 321.385 -1.044 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001022545587 662395035 /nfs/dbraw/zinc/39/50/35/662395035.db2.gz YXUSYUWGARCZRU-IMSYWVGJSA-N 1 1 322.373 -1.469 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)O1 ZINC001022557370 662396135 /nfs/dbraw/zinc/39/61/35/662396135.db2.gz IDDUIDKOFRVKJZ-WRWGMCAJSA-N 1 1 324.381 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)O1 ZINC001022557370 662396136 /nfs/dbraw/zinc/39/61/36/662396136.db2.gz IDDUIDKOFRVKJZ-WRWGMCAJSA-N 1 1 324.381 -1.750 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001022556430 662396151 /nfs/dbraw/zinc/39/61/51/662396151.db2.gz ODQUAHQLWDZUCC-WDEREUQCSA-N 1 1 305.338 -1.264 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555824 662396379 /nfs/dbraw/zinc/39/63/79/662396379.db2.gz FMRBIBCNAZTUND-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC001022559432 662396553 /nfs/dbraw/zinc/39/65/53/662396553.db2.gz PRBFJKMFXPRTJL-OCAPTIKFSA-N 1 1 318.345 -1.418 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000971965125 662396619 /nfs/dbraw/zinc/39/66/19/662396619.db2.gz BNNFXBYDCWIYLX-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1nnc2cc(C(=O)N3CC[C@H]([N@H+](C)CC(N)=O)C3)cnc21 ZINC000971955481 662396855 /nfs/dbraw/zinc/39/68/55/662396855.db2.gz VBCMBNMHJLVLKO-JTQLQIEISA-N 1 1 317.353 -1.005 20 0 DAADMO Cn1nnc2cc(C(=O)N3CC[C@H]([N@@H+](C)CC(N)=O)C3)cnc21 ZINC000971955481 662396859 /nfs/dbraw/zinc/39/68/59/662396859.db2.gz VBCMBNMHJLVLKO-JTQLQIEISA-N 1 1 317.353 -1.005 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002898 662397664 /nfs/dbraw/zinc/39/76/64/662397664.db2.gz SHNNYLNCEOCACZ-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002901 662397668 /nfs/dbraw/zinc/39/76/68/662397668.db2.gz SHNNYLNCEOCACZ-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC000971999910 662397685 /nfs/dbraw/zinc/39/76/85/662397685.db2.gz GITVJQUQOORJJQ-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC000971999910 662397687 /nfs/dbraw/zinc/39/76/87/662397687.db2.gz GITVJQUQOORJJQ-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002393 662397818 /nfs/dbraw/zinc/39/78/18/662397818.db2.gz QVTWSBHSQVBVOV-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002899 662397955 /nfs/dbraw/zinc/39/79/55/662397955.db2.gz SHNNYLNCEOCACZ-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001022628438 662398159 /nfs/dbraw/zinc/39/81/59/662398159.db2.gz QFCJDEKFDGKHKB-MAUMQABQSA-N 1 1 308.346 -1.811 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001022628436 662398214 /nfs/dbraw/zinc/39/82/14/662398214.db2.gz QFCJDEKFDGKHKB-HXFLIBJXSA-N 1 1 308.346 -1.811 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001022628437 662398443 /nfs/dbraw/zinc/39/84/43/662398443.db2.gz QFCJDEKFDGKHKB-LURQLKTLSA-N 1 1 308.346 -1.811 20 0 DAADMO Cc1nc(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)nn1-c1nc[nH]n1 ZINC000972050086 662398916 /nfs/dbraw/zinc/39/89/16/662398916.db2.gz VECDVTULAVDXFC-JTQLQIEISA-N 1 1 320.357 -1.168 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000972071554 662399164 /nfs/dbraw/zinc/39/91/64/662399164.db2.gz YOQLYTNWAXDCET-JTQLQIEISA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000972071554 662399166 /nfs/dbraw/zinc/39/91/66/662399166.db2.gz YOQLYTNWAXDCET-JTQLQIEISA-N 1 1 303.326 -1.244 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001022687807 662399873 /nfs/dbraw/zinc/39/98/73/662399873.db2.gz NVKBXOYNUXUBRA-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCN(C)C3=O)C2)n1 ZINC000972112984 662400522 /nfs/dbraw/zinc/40/05/22/662400522.db2.gz ULLGMKFJMHYLIP-ZJUUUORDSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCN(C)C3=O)C2)n1 ZINC000972112983 662400595 /nfs/dbraw/zinc/40/05/95/662400595.db2.gz ULLGMKFJMHYLIP-VHSXEESVSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCCN(C)C3=O)C2)n1 ZINC000972115853 662401018 /nfs/dbraw/zinc/40/10/18/662401018.db2.gz MKPXETIKVCONJY-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)n1 ZINC000972117145 662401337 /nfs/dbraw/zinc/40/13/37/662401337.db2.gz SCNJZFXKBKLGKG-SNVBAGLBSA-N 1 1 305.346 -1.352 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCCNC3=O)C2)n1 ZINC000972117056 662401430 /nfs/dbraw/zinc/40/14/30/662401430.db2.gz RNVFIMLOMKYSPC-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001022720084 662401705 /nfs/dbraw/zinc/40/17/05/662401705.db2.gz FYGZKBJCVVJCLZ-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@@H+]1C1CC1 ZINC000934398397 662401782 /nfs/dbraw/zinc/40/17/82/662401782.db2.gz ZADZEVKLMKGHTL-NGZCFLSTSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@H+]1C1CC1 ZINC000934398397 662401790 /nfs/dbraw/zinc/40/17/90/662401790.db2.gz ZADZEVKLMKGHTL-NGZCFLSTSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@H]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@@H+]1C1CC1 ZINC000934398399 662401820 /nfs/dbraw/zinc/40/18/20/662401820.db2.gz ZADZEVKLMKGHTL-QXEWZRGKSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@H]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@H+]1C1CC1 ZINC000934398399 662401823 /nfs/dbraw/zinc/40/18/23/662401823.db2.gz ZADZEVKLMKGHTL-QXEWZRGKSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@@H+]1C1CC1 ZINC000934398394 662401931 /nfs/dbraw/zinc/40/19/31/662401931.db2.gz ZADZEVKLMKGHTL-KKZNHRDASA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@H+]1C1CC1 ZINC000934398394 662401934 /nfs/dbraw/zinc/40/19/34/662401934.db2.gz ZADZEVKLMKGHTL-KKZNHRDASA-N 1 1 315.395 -1.359 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)CC2 ZINC000972180216 662402594 /nfs/dbraw/zinc/40/25/94/662402594.db2.gz WFEQEJUWMJJDMR-WDEREUQCSA-N 1 1 320.397 -1.062 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)CC2 ZINC000972180216 662402597 /nfs/dbraw/zinc/40/25/97/662402597.db2.gz WFEQEJUWMJJDMR-WDEREUQCSA-N 1 1 320.397 -1.062 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000972187689 662402639 /nfs/dbraw/zinc/40/26/39/662402639.db2.gz WTDCIKNJIUXZDH-VIFPVBQESA-N 1 1 308.338 -1.061 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000972187689 662402640 /nfs/dbraw/zinc/40/26/40/662402640.db2.gz WTDCIKNJIUXZDH-VIFPVBQESA-N 1 1 308.338 -1.061 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@H]1CCNC1=O ZINC000972193086 662402680 /nfs/dbraw/zinc/40/26/80/662402680.db2.gz PBCUESDNUKTJMP-ONGXEEELSA-N 1 1 305.338 -1.195 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198643 662403376 /nfs/dbraw/zinc/40/33/76/662403376.db2.gz IMOIYWMRMPDCMG-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972197632 662403421 /nfs/dbraw/zinc/40/34/21/662403421.db2.gz DTPXBOGJNWPAOZ-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214047 662404817 /nfs/dbraw/zinc/40/48/17/662404817.db2.gz AFUDNFWVLHDYLW-JTQLQIEISA-N 1 1 323.401 -1.011 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972223740 662404873 /nfs/dbraw/zinc/40/48/73/662404873.db2.gz HTOGJXYHLBDKEB-VHSXEESVSA-N 1 1 322.365 -1.410 20 0 DAADMO O=C(CN1CCCC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972248057 662405234 /nfs/dbraw/zinc/40/52/34/662405234.db2.gz HZPZXOZDJNFYPF-OAHLLOKOSA-N 1 1 311.382 -1.096 20 0 DAADMO O=C(CN1CCCC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972248057 662405235 /nfs/dbraw/zinc/40/52/35/662405235.db2.gz HZPZXOZDJNFYPF-OAHLLOKOSA-N 1 1 311.382 -1.096 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972250056 662405237 /nfs/dbraw/zinc/40/52/37/662405237.db2.gz TVGDCKRFLIIPDT-ZDUSSCGKSA-N 1 1 310.358 -1.377 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972250056 662405238 /nfs/dbraw/zinc/40/52/38/662405238.db2.gz TVGDCKRFLIIPDT-ZDUSSCGKSA-N 1 1 310.358 -1.377 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249470 662405250 /nfs/dbraw/zinc/40/52/50/662405250.db2.gz PDQMUMBZAIOZAJ-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249470 662405252 /nfs/dbraw/zinc/40/52/52/662405252.db2.gz PDQMUMBZAIOZAJ-YPMHNXCESA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249469 662405322 /nfs/dbraw/zinc/40/53/22/662405322.db2.gz PDQMUMBZAIOZAJ-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000972249469 662405327 /nfs/dbraw/zinc/40/53/27/662405327.db2.gz PDQMUMBZAIOZAJ-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022782405 662406698 /nfs/dbraw/zinc/40/66/98/662406698.db2.gz AANYCDPNXLMMFC-AEJSXWLSSA-N 1 1 318.337 -1.189 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001011158618 662406887 /nfs/dbraw/zinc/40/68/87/662406887.db2.gz ARYCDKJEDFETMT-GHMZBOCLSA-N 1 1 309.370 -1.710 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972317272 662407003 /nfs/dbraw/zinc/40/70/03/662407003.db2.gz TWLVVJKQDLWDSZ-DZGCQCFKSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972317272 662407005 /nfs/dbraw/zinc/40/70/05/662407005.db2.gz TWLVVJKQDLWDSZ-DZGCQCFKSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972339266 662407866 /nfs/dbraw/zinc/40/78/66/662407866.db2.gz OKZPLTYJGWWCHY-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972339266 662407869 /nfs/dbraw/zinc/40/78/69/662407869.db2.gz OKZPLTYJGWWCHY-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001011162058 662408017 /nfs/dbraw/zinc/40/80/17/662408017.db2.gz ZNQUZANVILYEPF-NEPJUHHUSA-N 1 1 308.382 -1.255 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972349287 662408346 /nfs/dbraw/zinc/40/83/46/662408346.db2.gz YGKNVFKUIGABDN-ZFWWWQNUSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972349287 662408349 /nfs/dbraw/zinc/40/83/49/662408349.db2.gz YGKNVFKUIGABDN-ZFWWWQNUSA-N 1 1 313.398 -1.387 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972349121 662408380 /nfs/dbraw/zinc/40/83/80/662408380.db2.gz QOKSJAHTLSQNLZ-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972349121 662408382 /nfs/dbraw/zinc/40/83/82/662408382.db2.gz QOKSJAHTLSQNLZ-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(CCn1ccnn1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972358006 662408545 /nfs/dbraw/zinc/40/85/45/662408545.db2.gz OYFZBFLOAMUGLS-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(CCn1ccnn1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972358006 662408548 /nfs/dbraw/zinc/40/85/48/662408548.db2.gz OYFZBFLOAMUGLS-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972358030 662408679 /nfs/dbraw/zinc/40/86/79/662408679.db2.gz PDYBVTHSRRASHK-FZMZJTMJSA-N 1 1 313.354 -1.220 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972358030 662408680 /nfs/dbraw/zinc/40/86/80/662408680.db2.gz PDYBVTHSRRASHK-FZMZJTMJSA-N 1 1 313.354 -1.220 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176591 662408725 /nfs/dbraw/zinc/40/87/25/662408725.db2.gz JRVRPVUHGKBNHN-NEPJUHHUSA-N 1 1 321.385 -1.458 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011177064 662408983 /nfs/dbraw/zinc/40/89/83/662408983.db2.gz RLWMIISNNRVPIM-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)[nH]1 ZINC000972382807 662409135 /nfs/dbraw/zinc/40/91/35/662409135.db2.gz UTTPBNDOFOCWNZ-AWEZNQCLSA-N 1 1 309.370 -1.049 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)[nH]1 ZINC000972382807 662409138 /nfs/dbraw/zinc/40/91/38/662409138.db2.gz UTTPBNDOFOCWNZ-AWEZNQCLSA-N 1 1 309.370 -1.049 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1O ZINC001022854268 662411372 /nfs/dbraw/zinc/41/13/72/662411372.db2.gz ORFNDKQTSCHEAT-JHJVBQTASA-N 1 1 309.370 -1.479 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022858355 662411748 /nfs/dbraw/zinc/41/17/48/662411748.db2.gz IVCJXHFXQHKRST-AOOOYVTPSA-N 1 1 307.310 -1.037 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001022861814 662412014 /nfs/dbraw/zinc/41/20/14/662412014.db2.gz GUSFJBODMJIYDO-DTORHVGOSA-N 1 1 321.341 -1.896 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)O1 ZINC001022862331 662412200 /nfs/dbraw/zinc/41/22/00/662412200.db2.gz GFZQXEXAACBXEE-ZYUZMQFOSA-N 1 1 321.324 -1.342 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)O1 ZINC001022862331 662412202 /nfs/dbraw/zinc/41/22/02/662412202.db2.gz GFZQXEXAACBXEE-ZYUZMQFOSA-N 1 1 321.324 -1.342 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)CCO1 ZINC001022867940 662413000 /nfs/dbraw/zinc/41/30/00/662413000.db2.gz LBCMAFQPBVHRDN-GARJFASQSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)CCO1 ZINC001022867940 662413002 /nfs/dbraw/zinc/41/30/02/662413002.db2.gz LBCMAFQPBVHRDN-GARJFASQSA-N 1 1 322.369 -1.098 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1 ZINC001022868438 662413555 /nfs/dbraw/zinc/41/35/55/662413555.db2.gz IICCBEDABZZICQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1 ZINC001022868438 662413563 /nfs/dbraw/zinc/41/35/63/662413563.db2.gz IICCBEDABZZICQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395006 662413894 /nfs/dbraw/zinc/41/38/94/662413894.db2.gz VOMMGMMIXLKXTP-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395006 662413896 /nfs/dbraw/zinc/41/38/96/662413896.db2.gz VOMMGMMIXLKXTP-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972399606 662414697 /nfs/dbraw/zinc/41/46/97/662414697.db2.gz MRYSHOKKUSQYQB-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972399606 662414698 /nfs/dbraw/zinc/41/46/98/662414698.db2.gz MRYSHOKKUSQYQB-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022918361 662417629 /nfs/dbraw/zinc/41/76/29/662417629.db2.gz KEMRZKIPMJZHIV-DTORHVGOSA-N 1 1 306.330 -1.119 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022939221 662418185 /nfs/dbraw/zinc/41/81/85/662418185.db2.gz YWKMHBGJQIEMJI-DTORHVGOSA-N 1 1 322.325 -1.252 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000972472446 662418212 /nfs/dbraw/zinc/41/82/12/662418212.db2.gz OCECZDUBRXDOAB-GHMZBOCLSA-N 1 1 324.381 -1.389 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC000972472433 662418669 /nfs/dbraw/zinc/41/86/69/662418669.db2.gz NVSKKTZGQDCHEM-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)C1 ZINC001022955151 662420223 /nfs/dbraw/zinc/42/02/23/662420223.db2.gz YDNFUHGIOXVNOQ-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001022981187 662421281 /nfs/dbraw/zinc/42/12/81/662421281.db2.gz CNZCJTLLDZAVBN-PHIMTYICSA-N 1 1 320.397 -1.059 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001022996059 662421767 /nfs/dbraw/zinc/42/17/67/662421767.db2.gz IWHSOBSSUKGKCB-IMSYWVGJSA-N 1 1 307.358 -1.214 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972493092 662422427 /nfs/dbraw/zinc/42/24/27/662422427.db2.gz BAURRCXVNPSZDW-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972493092 662422431 /nfs/dbraw/zinc/42/24/31/662422431.db2.gz BAURRCXVNPSZDW-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972493088 662422530 /nfs/dbraw/zinc/42/25/30/662422530.db2.gz BAURRCXVNPSZDW-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972493088 662422535 /nfs/dbraw/zinc/42/25/35/662422535.db2.gz BAURRCXVNPSZDW-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972502542 662425725 /nfs/dbraw/zinc/42/57/25/662425725.db2.gz RKPCRSHPAVXXBV-SWLSCSKDSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972502542 662425729 /nfs/dbraw/zinc/42/57/29/662425729.db2.gz RKPCRSHPAVXXBV-SWLSCSKDSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)NC1=O ZINC000972504738 662425770 /nfs/dbraw/zinc/42/57/70/662425770.db2.gz QGHZUTNFIKBVDL-SMDDNHRTSA-N 1 1 312.370 -1.694 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)NC1=O ZINC000972504738 662425772 /nfs/dbraw/zinc/42/57/72/662425772.db2.gz QGHZUTNFIKBVDL-SMDDNHRTSA-N 1 1 312.370 -1.694 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001023056047 662425815 /nfs/dbraw/zinc/42/58/15/662425815.db2.gz AETAPUPIHDXRHA-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023064222 662427063 /nfs/dbraw/zinc/42/70/63/662427063.db2.gz DXSNADLOIDWFTP-OCAPTIKFSA-N 1 1 308.298 -1.642 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507396 662427659 /nfs/dbraw/zinc/42/76/59/662427659.db2.gz ZZKRVHGTIVNCPG-ZDUSSCGKSA-N 1 1 310.358 -1.227 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507396 662427661 /nfs/dbraw/zinc/42/76/61/662427661.db2.gz ZZKRVHGTIVNCPG-ZDUSSCGKSA-N 1 1 310.358 -1.227 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1=O ZINC000972507338 662428032 /nfs/dbraw/zinc/42/80/32/662428032.db2.gz YNLXXXXRARASOV-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1=O ZINC000972507338 662428034 /nfs/dbraw/zinc/42/80/34/662428034.db2.gz YNLXXXXRARASOV-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000091673344 662428314 /nfs/dbraw/zinc/42/83/14/662428314.db2.gz BADQYKHLYJPWOK-VXGBXAGGSA-N 1 1 304.416 -1.411 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001023090123 662428739 /nfs/dbraw/zinc/42/87/39/662428739.db2.gz JMVOEUUXTKULDP-TXEJJXNPSA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001023094456 662429132 /nfs/dbraw/zinc/42/91/32/662429132.db2.gz LUKIDUAKDDVJKA-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)n1 ZINC000972510591 662430007 /nfs/dbraw/zinc/43/00/07/662430007.db2.gz BFBYTDCVPNVKRN-ZDUSSCGKSA-N 1 1 310.358 -1.491 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)n1 ZINC000972510591 662430009 /nfs/dbraw/zinc/43/00/09/662430009.db2.gz BFBYTDCVPNVKRN-ZDUSSCGKSA-N 1 1 310.358 -1.491 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001023101438 662430065 /nfs/dbraw/zinc/43/00/65/662430065.db2.gz ORQOURXETHHYFM-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023102876 662430087 /nfs/dbraw/zinc/43/00/87/662430087.db2.gz FSMGXNPSRHXCCC-XKSSXDPKSA-N 1 1 315.355 -1.502 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)C1 ZINC001023100864 662430351 /nfs/dbraw/zinc/43/03/51/662430351.db2.gz CIUDZIFQIVMNSK-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)n1 ZINC000972510590 662430437 /nfs/dbraw/zinc/43/04/37/662430437.db2.gz BFBYTDCVPNVKRN-CYBMUJFWSA-N 1 1 310.358 -1.491 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)n1 ZINC000972510590 662430440 /nfs/dbraw/zinc/43/04/40/662430440.db2.gz BFBYTDCVPNVKRN-CYBMUJFWSA-N 1 1 310.358 -1.491 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936911274 662432012 /nfs/dbraw/zinc/43/20/12/662432012.db2.gz LUCKZOBVVFFQCW-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001023135142 662432912 /nfs/dbraw/zinc/43/29/12/662432912.db2.gz UWFLYLHRGYDUCL-MXWKQRLJSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023176902 662437137 /nfs/dbraw/zinc/43/71/37/662437137.db2.gz LJWWPKFNUNWTSZ-XHNCKOQMSA-N 1 1 307.310 -1.141 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001023193423 662437832 /nfs/dbraw/zinc/43/78/32/662437832.db2.gz WHNOIPOPPKIOEO-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001023193423 662437836 /nfs/dbraw/zinc/43/78/36/662437836.db2.gz WHNOIPOPPKIOEO-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001023193423 662437841 /nfs/dbraw/zinc/43/78/41/662437841.db2.gz WHNOIPOPPKIOEO-IJLUTSLNSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1O ZINC001023193346 662437875 /nfs/dbraw/zinc/43/78/75/662437875.db2.gz UNPHNDBNOQXOGZ-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC000972526782 662440128 /nfs/dbraw/zinc/44/01/28/662440128.db2.gz LEZQJFBQMPNWIP-GHMZBOCLSA-N 1 1 305.400 -1.455 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023207730 662440600 /nfs/dbraw/zinc/44/06/00/662440600.db2.gz DSVNZLPTOJDVNV-GMTAPVOTSA-N 1 1 322.369 -1.491 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023207731 662440844 /nfs/dbraw/zinc/44/08/44/662440844.db2.gz DSVNZLPTOJDVNV-OUAUKWLOSA-N 1 1 322.369 -1.491 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001023215286 662441387 /nfs/dbraw/zinc/44/13/87/662441387.db2.gz VEGXHUONJFTRES-OUAUKWLOSA-N 1 1 324.381 -1.966 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001023212494 662441440 /nfs/dbraw/zinc/44/14/40/662441440.db2.gz GTXJJYZHWZTVST-RAIGVLPGSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001023208501 662441620 /nfs/dbraw/zinc/44/16/20/662441620.db2.gz RWUSHGQJIYDHRG-OPRDCNLKSA-N 1 1 323.357 -2.394 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1O ZINC001023216060 662441816 /nfs/dbraw/zinc/44/18/16/662441816.db2.gz BMPCDNMLYGQJTC-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001023212530 662441970 /nfs/dbraw/zinc/44/19/70/662441970.db2.gz HKNSJVNQRODKGO-GMTAPVOTSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1O ZINC001023215284 662441988 /nfs/dbraw/zinc/44/19/88/662441988.db2.gz VEGXHUONJFTRES-GMTAPVOTSA-N 1 1 324.381 -1.966 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001023212708 662441999 /nfs/dbraw/zinc/44/19/99/662441999.db2.gz NXWVNXYSSJJLLD-ADEWGFFLSA-N 1 1 322.369 -1.789 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023208604 662442077 /nfs/dbraw/zinc/44/20/77/662442077.db2.gz UPKLXTMSHDAOFU-OUAUKWLOSA-N 1 1 323.353 -1.226 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528828 662442500 /nfs/dbraw/zinc/44/25/00/662442500.db2.gz TUDMTNSCQUYFKM-BXUZGUMPSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528828 662442503 /nfs/dbraw/zinc/44/25/03/662442503.db2.gz TUDMTNSCQUYFKM-BXUZGUMPSA-N 1 1 311.382 -1.064 20 0 DAADMO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935025860 662442598 /nfs/dbraw/zinc/44/25/98/662442598.db2.gz FUPCNZHWCRRAGA-JTQLQIEISA-N 1 1 305.400 -1.302 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535357 662443500 /nfs/dbraw/zinc/44/35/00/662443500.db2.gz ZZGDTZZOFCTVGI-ZYTOWTHASA-N 1 1 323.353 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535357 662443504 /nfs/dbraw/zinc/44/35/04/662443504.db2.gz ZZGDTZZOFCTVGI-ZYTOWTHASA-N 1 1 323.353 -2.007 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC001023267367 662444582 /nfs/dbraw/zinc/44/45/82/662444582.db2.gz QMCHIQNUDGFQKR-RAIGVLPGSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2O)C1 ZINC001023281601 662444687 /nfs/dbraw/zinc/44/46/87/662444687.db2.gz MKFHTVFJCSWUGP-YNLGZWBXSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2O)C1 ZINC001023281601 662444693 /nfs/dbraw/zinc/44/46/93/662444693.db2.gz MKFHTVFJCSWUGP-YNLGZWBXSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2O)C1 ZINC001023279626 662444736 /nfs/dbraw/zinc/44/47/36/662444736.db2.gz WIGCDXPFUKOIRG-MXWKQRLJSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2O)C1 ZINC001023279626 662444737 /nfs/dbraw/zinc/44/47/37/662444737.db2.gz WIGCDXPFUKOIRG-MXWKQRLJSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2O)C1 ZINC001023279074 662444781 /nfs/dbraw/zinc/44/47/81/662444781.db2.gz MNHMAVSXQAUJIF-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2O)C1 ZINC001023279074 662444782 /nfs/dbraw/zinc/44/47/82/662444782.db2.gz MNHMAVSXQAUJIF-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)C1 ZINC001023279712 662444880 /nfs/dbraw/zinc/44/48/80/662444880.db2.gz YERSILIVSXGBRQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)C1 ZINC001023279712 662444883 /nfs/dbraw/zinc/44/48/83/662444883.db2.gz YERSILIVSXGBRQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972541662 662444990 /nfs/dbraw/zinc/44/49/90/662444990.db2.gz QULNOGMKLMJORA-MNOVXSKESA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023282181 662445301 /nfs/dbraw/zinc/44/53/01/662445301.db2.gz ZFZFYKRYMXOUOJ-YUSALJHKSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023282181 662445303 /nfs/dbraw/zinc/44/53/03/662445303.db2.gz ZFZFYKRYMXOUOJ-YUSALJHKSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)C1 ZINC001023281985 662445360 /nfs/dbraw/zinc/44/53/60/662445360.db2.gz SQIPOBBRFCQKNE-MCIONIFRSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)C1 ZINC001023281985 662445363 /nfs/dbraw/zinc/44/53/63/662445363.db2.gz SQIPOBBRFCQKNE-MCIONIFRSA-N 1 1 323.393 -1.029 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000972545518 662445371 /nfs/dbraw/zinc/44/53/71/662445371.db2.gz RQSNLYKVDGVNRW-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)[C@H]1CCNC1=O ZINC000972542138 662445380 /nfs/dbraw/zinc/44/53/80/662445380.db2.gz VZYHMLBHQLUHSX-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023292668 662445432 /nfs/dbraw/zinc/44/54/32/662445432.db2.gz ZOGUUKFESFMBJS-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)[C@H]1CCNC1=O ZINC000972542140 662445583 /nfs/dbraw/zinc/44/55/83/662445583.db2.gz VZYHMLBHQLUHSX-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000972545111 662445633 /nfs/dbraw/zinc/44/56/33/662445633.db2.gz QGLMSHRPUXLEEJ-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023282180 662445660 /nfs/dbraw/zinc/44/56/60/662445660.db2.gz ZFZFYKRYMXOUOJ-JLLWLGSASA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023282180 662445661 /nfs/dbraw/zinc/44/56/61/662445661.db2.gz ZFZFYKRYMXOUOJ-JLLWLGSASA-N 1 1 324.337 -1.693 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023292666 662445671 /nfs/dbraw/zinc/44/56/71/662445671.db2.gz ZOGUUKFESFMBJS-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001011263444 662445818 /nfs/dbraw/zinc/44/58/18/662445818.db2.gz PVUGIHDOQVGMBM-SNVBAGLBSA-N 1 1 305.338 -1.083 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)CCNC1=O ZINC000972548439 662446092 /nfs/dbraw/zinc/44/60/92/662446092.db2.gz JCDIFOWNZVEKAU-HUUCEWRRSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)CCNC1=O ZINC000972548439 662446095 /nfs/dbraw/zinc/44/60/95/662446095.db2.gz JCDIFOWNZVEKAU-HUUCEWRRSA-N 1 1 311.382 -1.192 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972554646 662446352 /nfs/dbraw/zinc/44/63/52/662446352.db2.gz RXOLEYFHQNLZTM-XUJVJEKNSA-N 1 1 311.382 -1.207 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972554646 662446357 /nfs/dbraw/zinc/44/63/57/662446357.db2.gz RXOLEYFHQNLZTM-XUJVJEKNSA-N 1 1 311.382 -1.207 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972555474 662446384 /nfs/dbraw/zinc/44/63/84/662446384.db2.gz OOBAIFQIWOHOGB-VXGBXAGGSA-N 1 1 324.381 -1.160 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972555473 662446452 /nfs/dbraw/zinc/44/64/52/662446452.db2.gz OOBAIFQIWOHOGB-RYUDHWBXSA-N 1 1 324.381 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972560039 662447025 /nfs/dbraw/zinc/44/70/25/662447025.db2.gz OODAPPHUDDRQMV-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)c1 ZINC001023398147 662447210 /nfs/dbraw/zinc/44/72/10/662447210.db2.gz FKVZVBVISKEDHS-KGYLQXTDSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972566342 662447968 /nfs/dbraw/zinc/44/79/68/662447968.db2.gz TTXZORIGAWDGDK-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[C@H]1CCNC1=O ZINC000972566341 662448064 /nfs/dbraw/zinc/44/80/64/662448064.db2.gz TTXZORIGAWDGDK-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972572829 662449396 /nfs/dbraw/zinc/44/93/96/662449396.db2.gz AJNWNIROICWEPL-SECBINFHSA-N 1 1 321.341 -1.497 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972574555 662449442 /nfs/dbraw/zinc/44/94/42/662449442.db2.gz VCQPBUJWLLSQKV-QMMMGPOBSA-N 1 1 306.330 -1.427 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2)C1 ZINC001023481111 662449637 /nfs/dbraw/zinc/44/96/37/662449637.db2.gz QYITWFZPNMMGPI-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972575210 662449660 /nfs/dbraw/zinc/44/96/60/662449660.db2.gz ADZOUDQQDNCSQT-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC000972581283 662450620 /nfs/dbraw/zinc/45/06/20/662450620.db2.gz KOVCEKVPJBUICS-VIFPVBQESA-N 1 1 322.325 -1.232 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001023531611 662450986 /nfs/dbraw/zinc/45/09/86/662450986.db2.gz ZLHFRNCLIUFGNP-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540582 662451052 /nfs/dbraw/zinc/45/10/52/662451052.db2.gz HIMQMTQGKLMBBF-VHSXEESVSA-N 1 1 309.374 -1.084 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540580 662451103 /nfs/dbraw/zinc/45/11/03/662451103.db2.gz HIMQMTQGKLMBBF-NXEZZACHSA-N 1 1 309.374 -1.084 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023554490 662451757 /nfs/dbraw/zinc/45/17/57/662451757.db2.gz FJMKBZHESJEQJO-CKYFFXLPSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001023566262 662452862 /nfs/dbraw/zinc/45/28/62/662452862.db2.gz LYRHLFITSKLCTN-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001023566262 662452865 /nfs/dbraw/zinc/45/28/65/662452865.db2.gz LYRHLFITSKLCTN-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972597250 662453239 /nfs/dbraw/zinc/45/32/39/662453239.db2.gz UMWWBXZLJCBGNW-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972597250 662453241 /nfs/dbraw/zinc/45/32/41/662453241.db2.gz UMWWBXZLJCBGNW-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001023566129 662453430 /nfs/dbraw/zinc/45/34/30/662453430.db2.gz JMHBZTAAMPNFMY-NEPJUHHUSA-N 1 1 321.385 -1.212 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCNC1=O ZINC000972606561 662455258 /nfs/dbraw/zinc/45/52/58/662455258.db2.gz LCXGXAWBBZAFMC-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611740 662455281 /nfs/dbraw/zinc/45/52/81/662455281.db2.gz LYPFFFVBDLDKJK-OCCSQVGLSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611740 662455282 /nfs/dbraw/zinc/45/52/82/662455282.db2.gz LYPFFFVBDLDKJK-OCCSQVGLSA-N 1 1 324.385 -1.253 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972609909 662455369 /nfs/dbraw/zinc/45/53/69/662455369.db2.gz FTJVXLSJTSOCLD-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000935214269 662455484 /nfs/dbraw/zinc/45/54/84/662455484.db2.gz QFAXWWJNUHALCE-DCAQKATOSA-N 1 1 309.374 -1.271 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972606563 662455516 /nfs/dbraw/zinc/45/55/16/662455516.db2.gz LCXGXAWBBZAFMC-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cnnn3)C2)C1=O ZINC000972610746 662455529 /nfs/dbraw/zinc/45/55/29/662455529.db2.gz VBJJVKRJIMVFQX-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611741 662455580 /nfs/dbraw/zinc/45/55/80/662455580.db2.gz LYPFFFVBDLDKJK-TZMCWYRMSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611741 662455582 /nfs/dbraw/zinc/45/55/82/662455582.db2.gz LYPFFFVBDLDKJK-TZMCWYRMSA-N 1 1 324.385 -1.253 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023629000 662456297 /nfs/dbraw/zinc/45/62/97/662456297.db2.gz SBBFAJBAPZBXPR-OUAUKWLOSA-N 1 1 307.354 -1.195 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023635224 662456465 /nfs/dbraw/zinc/45/64/65/662456465.db2.gz HKVRPLXGGYKOJJ-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001023645039 662456881 /nfs/dbraw/zinc/45/68/81/662456881.db2.gz VWKACXCHMFICJI-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001023645038 662456970 /nfs/dbraw/zinc/45/69/70/662456970.db2.gz VWKACXCHMFICJI-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001023737568 662458046 /nfs/dbraw/zinc/45/80/46/662458046.db2.gz RTFYLPZOZZQJIV-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753481 662458600 /nfs/dbraw/zinc/45/86/00/662458600.db2.gz HAQKWPSVPXZAOZ-UWVGGRQHSA-N 1 1 318.399 -2.008 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001023753481 662458605 /nfs/dbraw/zinc/45/86/05/662458605.db2.gz HAQKWPSVPXZAOZ-UWVGGRQHSA-N 1 1 318.399 -2.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2O)C1 ZINC001023782724 662459046 /nfs/dbraw/zinc/45/90/46/662459046.db2.gz YILSNPJYNIYVIA-RAIGVLPGSA-N 1 1 322.365 -1.143 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023782729 662459080 /nfs/dbraw/zinc/45/90/80/662459080.db2.gz YODZPOZSMAIKSK-GMTAPVOTSA-N 1 1 301.412 -1.011 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023782625 662459191 /nfs/dbraw/zinc/45/91/91/662459191.db2.gz VLQNUNWXXOKZAG-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023782674 662459304 /nfs/dbraw/zinc/45/93/04/662459304.db2.gz WOVSLDGHSDKEFL-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023782072 662459316 /nfs/dbraw/zinc/45/93/16/662459316.db2.gz CFFWGXGDNNFROY-RAIGVLPGSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023782027 662459441 /nfs/dbraw/zinc/45/94/41/662459441.db2.gz BEJAVZJXAAFTQA-HOSYDEDBSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC000972680418 662459454 /nfs/dbraw/zinc/45/94/54/662459454.db2.gz KYLZJLUTCUROCP-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001023787308 662459593 /nfs/dbraw/zinc/45/95/93/662459593.db2.gz JGZNKUHTJWEVRW-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)C1 ZINC001023787308 662459595 /nfs/dbraw/zinc/45/95/95/662459595.db2.gz JGZNKUHTJWEVRW-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2O)C1 ZINC001023787308 662459598 /nfs/dbraw/zinc/45/95/98/662459598.db2.gz JGZNKUHTJWEVRW-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001023784422 662459688 /nfs/dbraw/zinc/45/96/88/662459688.db2.gz VXCGLOTZYMGNMT-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023786916 662459750 /nfs/dbraw/zinc/45/97/50/662459750.db2.gz DAOXGQQULGEMDC-GMTAPVOTSA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023786916 662459756 /nfs/dbraw/zinc/45/97/56/662459756.db2.gz DAOXGQQULGEMDC-GMTAPVOTSA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023786916 662459761 /nfs/dbraw/zinc/45/97/61/662459761.db2.gz DAOXGQQULGEMDC-GMTAPVOTSA-N 1 1 322.369 -1.634 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@H]2O)C1 ZINC001023783106 662459865 /nfs/dbraw/zinc/45/98/65/662459865.db2.gz DBODAPQMAPUPEW-QJPTWQEYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793811 662460616 /nfs/dbraw/zinc/46/06/16/662460616.db2.gz RPFUPEFVWZUZAW-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001023793811 662460618 /nfs/dbraw/zinc/46/06/18/662460618.db2.gz RPFUPEFVWZUZAW-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001023798649 662461241 /nfs/dbraw/zinc/46/12/41/662461241.db2.gz XAHGBTGHHFWTND-GHMZBOCLSA-N 1 1 308.342 -1.798 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O ZINC001023799434 662461337 /nfs/dbraw/zinc/46/13/37/662461337.db2.gz DBYAEQLYZAXDDZ-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001023801185 662461528 /nfs/dbraw/zinc/46/15/28/662461528.db2.gz NPKWBBRVXZRNDV-GHMZBOCLSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001023851827 662462680 /nfs/dbraw/zinc/46/26/80/662462680.db2.gz YHJFEDBOXRQTBW-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972717353 662464990 /nfs/dbraw/zinc/46/49/90/662464990.db2.gz GAOXVPCLHQBVFU-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023919765 662465167 /nfs/dbraw/zinc/46/51/67/662465167.db2.gz ZZJJUUUYWXPFPR-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972719922 662465427 /nfs/dbraw/zinc/46/54/27/662465427.db2.gz DYVSFSNAHSRKBO-NXEZZACHSA-N 1 1 320.353 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972719925 662465548 /nfs/dbraw/zinc/46/55/48/662465548.db2.gz DYVSFSNAHSRKBO-ZJUUUORDSA-N 1 1 320.353 -1.055 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)C1 ZINC001023998996 662466233 /nfs/dbraw/zinc/46/62/33/662466233.db2.gz PXDCPDARAGMXJZ-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)COC)C[C@H]2O)C1 ZINC001023998996 662466237 /nfs/dbraw/zinc/46/62/37/662466237.db2.gz PXDCPDARAGMXJZ-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759196 662466419 /nfs/dbraw/zinc/46/64/19/662466419.db2.gz HXIRZZUYEFBWQB-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023999035 662466447 /nfs/dbraw/zinc/46/64/47/662466447.db2.gz RGRDLBXBYWSOET-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023999035 662466449 /nfs/dbraw/zinc/46/64/49/662466449.db2.gz RGRDLBXBYWSOET-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C2)n1 ZINC000972777950 662466508 /nfs/dbraw/zinc/46/65/08/662466508.db2.gz YHDXANAUFQUSCQ-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972759198 662466632 /nfs/dbraw/zinc/46/66/32/662466632.db2.gz HXIRZZUYEFBWQB-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793978 662467503 /nfs/dbraw/zinc/46/75/03/662467503.db2.gz LKTZKHPILUKSKF-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793978 662467508 /nfs/dbraw/zinc/46/75/08/662467508.db2.gz LKTZKHPILUKSKF-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794217 662467958 /nfs/dbraw/zinc/46/79/58/662467958.db2.gz NFKTVLWPRJTVRL-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794217 662467963 /nfs/dbraw/zinc/46/79/63/662467963.db2.gz NFKTVLWPRJTVRL-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800052 662468335 /nfs/dbraw/zinc/46/83/35/662468335.db2.gz QWFQBNFTYOYHOK-WDEREUQCSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800052 662468336 /nfs/dbraw/zinc/46/83/36/662468336.db2.gz QWFQBNFTYOYHOK-WDEREUQCSA-N 1 1 323.401 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800012 662468685 /nfs/dbraw/zinc/46/86/85/662468685.db2.gz QBUPDZDBZWUTTC-ZJUUUORDSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800012 662468686 /nfs/dbraw/zinc/46/86/86/662468686.db2.gz QBUPDZDBZWUTTC-ZJUUUORDSA-N 1 1 309.374 -1.366 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)C3(C(N)=O)CC3)C2)n1 ZINC001024132049 662469961 /nfs/dbraw/zinc/46/99/61/662469961.db2.gz YFGBGPIZHWYWNC-SNVBAGLBSA-N 1 1 321.385 -1.196 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001024200445 662470662 /nfs/dbraw/zinc/47/06/62/662470662.db2.gz ZBKSRCMXJJHAFH-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001024231135 662471203 /nfs/dbraw/zinc/47/12/03/662471203.db2.gz XHJIPXGGKQCGLI-SNVBAGLBSA-N 1 1 319.373 -1.101 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001024419090 662472781 /nfs/dbraw/zinc/47/27/81/662472781.db2.gz DFLJXHPOSLSDAB-NXEZZACHSA-N 1 1 319.325 -1.689 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024465005 662474437 /nfs/dbraw/zinc/47/44/37/662474437.db2.gz COWIRPLBCNTFJE-NQBHXWOUSA-N 1 1 321.381 -1.184 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001024546140 662476425 /nfs/dbraw/zinc/47/64/25/662476425.db2.gz DKNZPORKHCCOPR-IJLUTSLNSA-N 1 1 324.385 -1.308 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)CC[N@H+]1C ZINC001024551335 662478067 /nfs/dbraw/zinc/47/80/67/662478067.db2.gz VIESYNUJCAESFF-CNVPUSNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC[N@@H+]1C ZINC001024551335 662478069 /nfs/dbraw/zinc/47/80/69/662478069.db2.gz VIESYNUJCAESFF-CNVPUSNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC[N@H+]1C ZINC001024551335 662478070 /nfs/dbraw/zinc/47/80/70/662478070.db2.gz VIESYNUJCAESFF-CNVPUSNMSA-N 1 1 322.369 -1.554 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024570324 662478753 /nfs/dbraw/zinc/47/87/53/662478753.db2.gz PIIYOZHWEFUZFY-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001024596006 662479975 /nfs/dbraw/zinc/47/99/75/662479975.db2.gz NDWLSJALAVOREA-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001024596006 662479976 /nfs/dbraw/zinc/47/99/76/662479976.db2.gz NDWLSJALAVOREA-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)c1=O ZINC001024593156 662480008 /nfs/dbraw/zinc/48/00/08/662480008.db2.gz FHOCQVFUWGOABY-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)c1=O ZINC001024593156 662480009 /nfs/dbraw/zinc/48/00/09/662480009.db2.gz FHOCQVFUWGOABY-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001024596003 662480021 /nfs/dbraw/zinc/48/00/21/662480021.db2.gz NDWLSJALAVOREA-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001024596003 662480023 /nfs/dbraw/zinc/48/00/23/662480023.db2.gz NDWLSJALAVOREA-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(NC[C@H]1CCCC[N@H+]1CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001024628943 662480081 /nfs/dbraw/zinc/48/00/81/662480081.db2.gz WMKXGMNYFVOOKJ-NEPJUHHUSA-N 1 1 321.385 -1.070 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1O ZINC001024698977 662481400 /nfs/dbraw/zinc/48/14/00/662481400.db2.gz GOUUNYIOSROXTL-JHJVBQTASA-N 1 1 322.365 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001024700099 662481929 /nfs/dbraw/zinc/48/19/29/662481929.db2.gz XVYSOPKLJBMYIV-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001024700099 662481933 /nfs/dbraw/zinc/48/19/33/662481933.db2.gz XVYSOPKLJBMYIV-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C[C@@H]1C ZINC000947209275 662482019 /nfs/dbraw/zinc/48/20/19/662482019.db2.gz BOGOBEAZKNNBRO-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972950384 662482396 /nfs/dbraw/zinc/48/23/96/662482396.db2.gz POPXTZGSFACZCN-GMTAPVOTSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972950899 662483231 /nfs/dbraw/zinc/48/32/31/662483231.db2.gz HMMJKYRZQNCAAP-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001024775249 662484394 /nfs/dbraw/zinc/48/43/94/662484394.db2.gz XUHNYTLHBLZBNU-HBNTYKKESA-N 1 1 312.370 -2.109 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)nn1 ZINC001024814953 662485029 /nfs/dbraw/zinc/48/50/29/662485029.db2.gz YXWHRZSZSBSLEX-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)Cn2ncnn2)n1 ZINC001024965101 662488352 /nfs/dbraw/zinc/48/83/52/662488352.db2.gz UJVBVPFQFOHQSE-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001025010359 662490686 /nfs/dbraw/zinc/49/06/86/662490686.db2.gz JSWXKUDAEVHUPC-FDYHWXHSSA-N 1 1 313.398 -1.215 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1O ZINC001025015376 662491419 /nfs/dbraw/zinc/49/14/19/662491419.db2.gz XIVBTXFFBZIDOT-FDYHWXHSSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1O ZINC001025016673 662491481 /nfs/dbraw/zinc/49/14/81/662491481.db2.gz XIVBTXFFBZIDOT-UMSGYPCISA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)C1(C(N)=O)CC1 ZINC001025065391 662494000 /nfs/dbraw/zinc/49/40/00/662494000.db2.gz QLGWASFHNBSHEW-JTQLQIEISA-N 1 1 321.385 -1.054 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001011578384 662494768 /nfs/dbraw/zinc/49/47/68/662494768.db2.gz UVKBULQQJMPXGD-LBPRGKRZSA-N 1 1 319.365 -1.002 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025110714 662498484 /nfs/dbraw/zinc/49/84/84/662498484.db2.gz LMEKIWCVVAPOPZ-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110714 662498488 /nfs/dbraw/zinc/49/84/88/662498488.db2.gz LMEKIWCVVAPOPZ-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110714 662498493 /nfs/dbraw/zinc/49/84/93/662498493.db2.gz LMEKIWCVVAPOPZ-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110714 662498499 /nfs/dbraw/zinc/49/84/99/662498499.db2.gz LMEKIWCVVAPOPZ-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110714 662498501 /nfs/dbraw/zinc/49/85/01/662498501.db2.gz LMEKIWCVVAPOPZ-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025110865 662498706 /nfs/dbraw/zinc/49/87/06/662498706.db2.gz OMFVGZYIPZVPQL-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110865 662498707 /nfs/dbraw/zinc/49/87/07/662498707.db2.gz OMFVGZYIPZVPQL-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110865 662498711 /nfs/dbraw/zinc/49/87/11/662498711.db2.gz OMFVGZYIPZVPQL-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110865 662498716 /nfs/dbraw/zinc/49/87/16/662498716.db2.gz OMFVGZYIPZVPQL-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110865 662498720 /nfs/dbraw/zinc/49/87/20/662498720.db2.gz OMFVGZYIPZVPQL-OPRDCNLKSA-N 1 1 308.342 -1.942 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341720 662498853 /nfs/dbraw/zinc/49/88/53/662498853.db2.gz BDASFSUFLNYRHR-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341720 662498855 /nfs/dbraw/zinc/49/88/55/662498855.db2.gz BDASFSUFLNYRHR-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348844 662499701 /nfs/dbraw/zinc/49/97/01/662499701.db2.gz JHFQNZRKFOJDSG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348844 662499703 /nfs/dbraw/zinc/49/97/03/662499703.db2.gz JHFQNZRKFOJDSG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001025139758 662501691 /nfs/dbraw/zinc/50/16/91/662501691.db2.gz YTFSARKCKUWGRK-LEZGYBIHSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973126562 662503327 /nfs/dbraw/zinc/50/33/27/662503327.db2.gz OWNRFLOCTBSAHC-BJDJZHNGSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973126562 662503331 /nfs/dbraw/zinc/50/33/31/662503331.db2.gz OWNRFLOCTBSAHC-BJDJZHNGSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973128570 662503338 /nfs/dbraw/zinc/50/33/38/662503338.db2.gz PDIPIIMNTYRJBI-ARFNZGECSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973128570 662503342 /nfs/dbraw/zinc/50/33/42/662503342.db2.gz PDIPIIMNTYRJBI-ARFNZGECSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1 ZINC000973130268 662503690 /nfs/dbraw/zinc/50/36/90/662503690.db2.gz QRYYHMYRBHBGIL-FXPVBKGRSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnon3)C2)C1 ZINC000973130268 662503691 /nfs/dbraw/zinc/50/36/91/662503691.db2.gz QRYYHMYRBHBGIL-FXPVBKGRSA-N 1 1 309.326 -1.223 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000973129802 662503913 /nfs/dbraw/zinc/50/39/13/662503913.db2.gz MTOLIZSJKPIHCT-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000973129802 662503915 /nfs/dbraw/zinc/50/39/15/662503915.db2.gz MTOLIZSJKPIHCT-CKYFFXLPSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)C1 ZINC001025228791 662504199 /nfs/dbraw/zinc/50/41/99/662504199.db2.gz UDQVJOIBAAOKCO-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973295791 662509729 /nfs/dbraw/zinc/50/97/29/662509729.db2.gz PSEJQCCAGIAIDR-FIQHERPVSA-N 1 1 308.382 -1.162 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000973295658 662509994 /nfs/dbraw/zinc/50/99/94/662509994.db2.gz NFPKLROXSFUNAF-FIQHERPVSA-N 1 1 323.397 -1.275 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973306235 662510452 /nfs/dbraw/zinc/51/04/52/662510452.db2.gz INFGJAXDJQRPKA-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307361 662510662 /nfs/dbraw/zinc/51/06/62/662510662.db2.gz ANTMJIXYRJSDKM-FIQHERPVSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307362 662510739 /nfs/dbraw/zinc/51/07/39/662510739.db2.gz ANTMJIXYRJSDKM-KKOKHZNYSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307360 662510781 /nfs/dbraw/zinc/51/07/81/662510781.db2.gz ANTMJIXYRJSDKM-DDHJBXDOSA-N 1 1 321.385 -1.366 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000935928763 662512070 /nfs/dbraw/zinc/51/20/70/662512070.db2.gz LRTLAPSKHOQAHS-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025379279 662515165 /nfs/dbraw/zinc/51/51/65/662515165.db2.gz JODAFRHXCZENEG-HLTSFMKQSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025379279 662515166 /nfs/dbraw/zinc/51/51/66/662515166.db2.gz JODAFRHXCZENEG-HLTSFMKQSA-N 1 1 300.315 -3.510 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973457194 662515382 /nfs/dbraw/zinc/51/53/82/662515382.db2.gz HMEVUMLLEWSRDU-MGCOHNPYSA-N 1 1 318.341 -1.208 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973465419 662517073 /nfs/dbraw/zinc/51/70/73/662517073.db2.gz JIFMFUXPALTPEE-KKOKHZNYSA-N 1 1 323.397 -1.227 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025386618 662517774 /nfs/dbraw/zinc/51/77/74/662517774.db2.gz IVBDYGCGZKYVPO-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025386618 662517776 /nfs/dbraw/zinc/51/77/76/662517776.db2.gz IVBDYGCGZKYVPO-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025387903 662517817 /nfs/dbraw/zinc/51/78/17/662517817.db2.gz VEOOLVJDLKKNSA-OUAUKWLOSA-N 1 1 312.370 -1.966 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408030634 662521762 /nfs/dbraw/zinc/52/17/62/662521762.db2.gz GXPVGEJSHBSBFU-NWDGAFQWSA-N 1 1 316.427 -1.344 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001019368389 662521931 /nfs/dbraw/zinc/52/19/31/662521931.db2.gz SOSKEORWALYYLX-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001025505178 662522344 /nfs/dbraw/zinc/52/23/44/662522344.db2.gz ADOLLYHRQKFNDT-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001025505176 662522427 /nfs/dbraw/zinc/52/24/27/662522427.db2.gz ADOLLYHRQKFNDT-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686083 662525690 /nfs/dbraw/zinc/52/56/90/662525690.db2.gz JYWJYCICWOHFND-OBPIAQAESA-N 1 1 309.366 -1.273 20 0 DAADMO C[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001025663894 662525836 /nfs/dbraw/zinc/52/58/36/662525836.db2.gz LOCUPECAAUYTSF-VINAVUOLSA-N 1 1 320.393 -1.353 20 0 DAADMO C[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001025663894 662525838 /nfs/dbraw/zinc/52/58/38/662525838.db2.gz LOCUPECAAUYTSF-VINAVUOLSA-N 1 1 320.393 -1.353 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001025686714 662526192 /nfs/dbraw/zinc/52/61/92/662526192.db2.gz IHRRRWRZWULHOT-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001025686714 662526199 /nfs/dbraw/zinc/52/61/99/662526199.db2.gz IHRRRWRZWULHOT-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001025688131 662526346 /nfs/dbraw/zinc/52/63/46/662526346.db2.gz ZZXFGXWCWDGETJ-KIJLLGNVSA-N 1 1 311.382 -1.075 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCOC1 ZINC001025701457 662526797 /nfs/dbraw/zinc/52/67/97/662526797.db2.gz UTMFALNCIGOVIC-ZTVLKNOQSA-N 1 1 307.350 -1.126 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001025705249 662526908 /nfs/dbraw/zinc/52/69/08/662526908.db2.gz KNZSHCPHTGJLAD-VLLVSFFDSA-N 1 1 309.366 -1.070 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719886 662527420 /nfs/dbraw/zinc/52/74/20/662527420.db2.gz WNSGQEIIUDMJBP-RGDJUOJXSA-N 1 1 324.425 -1.160 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025709106 662527509 /nfs/dbraw/zinc/52/75/09/662527509.db2.gz KPMBKGBCNFLLBT-MGWGEXEUSA-N 1 1 320.349 -1.883 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025737360 662528584 /nfs/dbraw/zinc/52/85/84/662528584.db2.gz KLRAHNWPMKMWHE-PDNLZKNQSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001025735090 662528829 /nfs/dbraw/zinc/52/88/29/662528829.db2.gz AQSSDTBDIXBPSI-BYNIDDHOSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001025735091 662529186 /nfs/dbraw/zinc/52/91/86/662529186.db2.gz AQSSDTBDIXBPSI-DIACKHNESA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025747112 662529672 /nfs/dbraw/zinc/52/96/72/662529672.db2.gz HATDNWPUPRRWCD-BJJPWKGXSA-N 1 1 322.409 -1.358 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025746761 662529717 /nfs/dbraw/zinc/52/97/17/662529717.db2.gz DSKVQZFSLQNHBS-FHUSYTEZSA-N 1 1 310.398 -1.373 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCN2C)C1=O ZINC001025746772 662529841 /nfs/dbraw/zinc/52/98/41/662529841.db2.gz GPJKVUTXCBBAQK-ITGHMWBKSA-N 1 1 322.409 -1.406 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCN2C)C1=O ZINC001025746771 662529986 /nfs/dbraw/zinc/52/99/86/662529986.db2.gz GPJKVUTXCBBAQK-BJJPWKGXSA-N 1 1 322.409 -1.406 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001025739314 662530257 /nfs/dbraw/zinc/53/02/57/662530257.db2.gz VQSTZUBDWQNXJS-OUAUKWLOSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001025739314 662530259 /nfs/dbraw/zinc/53/02/59/662530259.db2.gz VQSTZUBDWQNXJS-OUAUKWLOSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001025739314 662530262 /nfs/dbraw/zinc/53/02/62/662530262.db2.gz VQSTZUBDWQNXJS-OUAUKWLOSA-N 1 1 322.369 -1.871 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001025763267 662530369 /nfs/dbraw/zinc/53/03/69/662530369.db2.gz RGFWFPIZGFJNQO-KXMNOHPDSA-N 1 1 322.365 -1.192 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025747431 662530461 /nfs/dbraw/zinc/53/04/61/662530461.db2.gz LUEXEFDUPLFYIR-OBPIAQAESA-N 1 1 308.382 -1.748 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764387 662531406 /nfs/dbraw/zinc/53/14/06/662531406.db2.gz RNHLVVBBZCZSGK-BIIVNPBRSA-N 1 1 322.321 -2.054 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025790225 662531923 /nfs/dbraw/zinc/53/19/23/662531923.db2.gz DSPNQKLRDPFHMU-SSLNLQFTSA-N 1 1 320.393 -1.164 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808297 662532670 /nfs/dbraw/zinc/53/26/70/662532670.db2.gz KWBPUYVCQRUELL-ZXPJVPCYSA-N 1 1 322.409 -1.012 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001025797639 662532745 /nfs/dbraw/zinc/53/27/45/662532745.db2.gz UBDDFCNNAFKGEP-FHTYFRLXSA-N 1 1 319.361 -1.126 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001025811939 662533272 /nfs/dbraw/zinc/53/32/72/662533272.db2.gz UCUIYGNEWVSEGN-TUYISWAISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001025811939 662533281 /nfs/dbraw/zinc/53/32/81/662533281.db2.gz UCUIYGNEWVSEGN-TUYISWAISA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001025812545 662533290 /nfs/dbraw/zinc/53/32/90/662533290.db2.gz VXYLTPNHAFQTFH-OQEOFVATSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808534 662533344 /nfs/dbraw/zinc/53/33/44/662533344.db2.gz ZKFJYICDJMUWRF-LGMRYKSHSA-N 1 1 322.365 -1.556 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808534 662533347 /nfs/dbraw/zinc/53/33/47/662533347.db2.gz ZKFJYICDJMUWRF-LGMRYKSHSA-N 1 1 322.365 -1.556 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1=O ZINC001025808814 662533357 /nfs/dbraw/zinc/53/33/57/662533357.db2.gz HGROUFDCDRWMQA-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001025808423 662533420 /nfs/dbraw/zinc/53/34/20/662533420.db2.gz PJDNBBWTBQMUIS-DIACKHNESA-N 1 1 320.393 -1.258 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808580 662533636 /nfs/dbraw/zinc/53/36/36/662533636.db2.gz DKDORAMTRAEAPF-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808463 662533647 /nfs/dbraw/zinc/53/36/47/662533647.db2.gz UDXRHGDYZONASE-HMUNZLOLSA-N 1 1 308.382 -1.225 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCNC2=O)C1=O ZINC001025815453 662533742 /nfs/dbraw/zinc/53/37/42/662533742.db2.gz PRTYIEKMFVNQTM-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815246 662533757 /nfs/dbraw/zinc/53/37/57/662533757.db2.gz MVQYNNCKQDPJIX-HHHUOAJASA-N 1 1 306.366 -1.553 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001025808425 662533839 /nfs/dbraw/zinc/53/38/39/662533839.db2.gz PJDNBBWTBQMUIS-YCGPCKTQSA-N 1 1 320.393 -1.258 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815248 662533849 /nfs/dbraw/zinc/53/38/49/662533849.db2.gz MVQYNNCKQDPJIX-ZIQFBCGOSA-N 1 1 306.366 -1.553 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001025812547 662533978 /nfs/dbraw/zinc/53/39/78/662533978.db2.gz VXYLTPNHAFQTFH-YFVNTRNASA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCNC(=O)C1 ZINC001025818585 662534076 /nfs/dbraw/zinc/53/40/76/662534076.db2.gz RGUNTUQKOBKJNQ-UZSKJHCISA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001025818336 662534292 /nfs/dbraw/zinc/53/42/92/662534292.db2.gz PCYWBCABJBMRLS-HUXGKSLCSA-N 1 1 324.425 -1.114 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814153 662534475 /nfs/dbraw/zinc/53/44/75/662534475.db2.gz SHLMWCHTGRAWJX-KHWQERMQSA-N 1 1 321.337 -2.481 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001025842752 662534626 /nfs/dbraw/zinc/53/46/26/662534626.db2.gz VGGBMMVMSPKZBM-LBELIVKGSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001025842752 662534627 /nfs/dbraw/zinc/53/46/27/662534627.db2.gz VGGBMMVMSPKZBM-LBELIVKGSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025842741 662534663 /nfs/dbraw/zinc/53/46/63/662534663.db2.gz URFNVGMSQKBWRT-BJJPWKGXSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001025879969 662534936 /nfs/dbraw/zinc/53/49/36/662534936.db2.gz FQVHPSIADUVNJE-MOUCOTEISA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001025879969 662534938 /nfs/dbraw/zinc/53/49/38/662534938.db2.gz FQVHPSIADUVNJE-MOUCOTEISA-N 1 1 308.382 -1.035 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC001025849139 662534975 /nfs/dbraw/zinc/53/49/75/662534975.db2.gz OFIYQUUHXLOZBR-JLDUMIBSSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC001025849137 662535137 /nfs/dbraw/zinc/53/51/37/662535137.db2.gz OFIYQUUHXLOZBR-BYNIDDHOSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001025849159 662535199 /nfs/dbraw/zinc/53/51/99/662535199.db2.gz PEMOTCQAILVORI-VLLVSFFDSA-N 1 1 308.382 -1.307 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001025848879 662535227 /nfs/dbraw/zinc/53/52/27/662535227.db2.gz KVHNYPUDZPFVJG-HMUNZLOLSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025880880 662535235 /nfs/dbraw/zinc/53/52/35/662535235.db2.gz BSLFLGPNZJRBFO-HHHUMZEGSA-N 1 1 320.393 -1.020 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC001025849138 662535260 /nfs/dbraw/zinc/53/52/60/662535260.db2.gz OFIYQUUHXLOZBR-DIACKHNESA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001025873073 662535394 /nfs/dbraw/zinc/53/53/94/662535394.db2.gz XKFRBJRCMFAXPZ-RNWYCLNJSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001025873073 662535400 /nfs/dbraw/zinc/53/54/00/662535400.db2.gz XKFRBJRCMFAXPZ-RNWYCLNJSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1)c1nnnn1C ZINC001019998696 662537511 /nfs/dbraw/zinc/53/75/11/662537511.db2.gz RKVKNICFLNTRMM-GWOFURMSSA-N 1 1 310.358 -1.077 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001020091174 662537673 /nfs/dbraw/zinc/53/76/73/662537673.db2.gz HYOMFAXSPJUNEM-CIUDSAMLSA-N 1 1 321.345 -1.495 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001020265273 662538020 /nfs/dbraw/zinc/53/80/20/662538020.db2.gz IBCIGUZORABNRC-KYZUINATSA-N 1 1 304.314 -1.244 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001020270506 662538867 /nfs/dbraw/zinc/53/88/67/662538867.db2.gz OOWIKALGWIDPLQ-OPRDCNLKSA-N 1 1 307.358 -1.384 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922413 662539163 /nfs/dbraw/zinc/53/91/63/662539163.db2.gz RYRUXDZHCPKFOA-RMERFRFWSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922205 662539227 /nfs/dbraw/zinc/53/92/27/662539227.db2.gz QNLRVXBXGCIARU-GYNNRVIJSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001025919672 662539322 /nfs/dbraw/zinc/53/93/22/662539322.db2.gz TYLVGLFULGABCP-WSLQDRLSSA-N 1 1 319.365 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC001025928088 662539418 /nfs/dbraw/zinc/53/94/18/662539418.db2.gz ZYARXRRBUOZNLD-VLLVSFFDSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC001025928088 662539420 /nfs/dbraw/zinc/53/94/20/662539420.db2.gz ZYARXRRBUOZNLD-VLLVSFFDSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025935352 662539601 /nfs/dbraw/zinc/53/96/01/662539601.db2.gz BCNNACLTNWAJPN-KLFGWDPYSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939183 662539833 /nfs/dbraw/zinc/53/98/33/662539833.db2.gz AEHMSDQZUDOTON-RWHSBRQSSA-N 1 1 320.349 -2.026 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001025952875 662540109 /nfs/dbraw/zinc/54/01/09/662540109.db2.gz CFYROSFFRFABLP-SVPLCASGSA-N 1 1 320.393 -1.116 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025941449 662540298 /nfs/dbraw/zinc/54/02/98/662540298.db2.gz LLWNJVJRUBARSD-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958965 662540385 /nfs/dbraw/zinc/54/03/85/662540385.db2.gz UCVCBJNVZUTJST-ZIQFBCGOSA-N 1 1 308.382 -1.225 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)NC1=O ZINC001025943864 662540399 /nfs/dbraw/zinc/54/03/99/662540399.db2.gz OYKBQISTYIDTFJ-QGKZMRNZSA-N 1 1 307.354 -2.055 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001025941476 662540409 /nfs/dbraw/zinc/54/04/09/662540409.db2.gz QNFXREDKJDOSGF-JCIQBVFBSA-N 1 1 308.382 -1.354 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001025939545 662540477 /nfs/dbraw/zinc/54/04/77/662540477.db2.gz QALBDHYLYDNRMG-KZZRWZIVSA-N 1 1 321.381 -1.713 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025993889 662540754 /nfs/dbraw/zinc/54/07/54/662540754.db2.gz FOZWAYYZZBTHJF-XXFSISAASA-N 1 1 307.354 -2.007 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@@H](C)O1 ZINC001025998511 662540772 /nfs/dbraw/zinc/54/07/72/662540772.db2.gz ADACCSHZUDQHCH-YFVNTRNASA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C[C@@H](C)O1 ZINC001025998511 662540774 /nfs/dbraw/zinc/54/07/74/662540774.db2.gz ADACCSHZUDQHCH-YFVNTRNASA-N 1 1 324.381 -1.846 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001026019719 662541022 /nfs/dbraw/zinc/54/10/22/662541022.db2.gz LPPKIZPTWMWHOD-UZSKJHCISA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CCC(=O)N1 ZINC001026013776 662541107 /nfs/dbraw/zinc/54/11/07/662541107.db2.gz YBSNFVKQOXRTNW-GCCGGCASSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC(=O)N1 ZINC001026013760 662541150 /nfs/dbraw/zinc/54/11/50/662541150.db2.gz PFLBEXZUXINWCS-JEFOQBOOSA-N 1 1 306.366 -1.410 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001026036588 662541166 /nfs/dbraw/zinc/54/11/66/662541166.db2.gz UVXUAUZVQNAPRC-OOPIDFETSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026036665 662541392 /nfs/dbraw/zinc/54/13/92/662541392.db2.gz ASMPUEBXBKPBOQ-KTWSDMTRSA-N 1 1 324.381 -1.670 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC001026044209 662541440 /nfs/dbraw/zinc/54/14/40/662541440.db2.gz LSUDWBKTCZQNIJ-ZXPJVPCYSA-N 1 1 319.413 -1.046 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC001026043801 662541499 /nfs/dbraw/zinc/54/14/99/662541499.db2.gz DYDFVNCTUHHJOP-SSKLVLDBSA-N 1 1 319.413 -1.046 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026049588 662541514 /nfs/dbraw/zinc/54/15/14/662541514.db2.gz WXNMSPICNYKOCC-PDWLFKFUSA-N 1 1 320.393 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026045892 662541551 /nfs/dbraw/zinc/54/15/51/662541551.db2.gz PMNZLFMMUQWCQB-NEJQNHLGSA-N 1 1 308.382 -1.369 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026045892 662541554 /nfs/dbraw/zinc/54/15/54/662541554.db2.gz PMNZLFMMUQWCQB-NEJQNHLGSA-N 1 1 308.382 -1.369 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026044548 662541603 /nfs/dbraw/zinc/54/16/03/662541603.db2.gz PRVNCNIIJGKJBF-WWBIDZNWSA-N 1 1 320.393 -1.354 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077587 662541843 /nfs/dbraw/zinc/54/18/43/662541843.db2.gz DWDLVKPUCVNOEJ-RWHSBRQSSA-N 1 1 310.354 -1.334 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC001026138974 662542271 /nfs/dbraw/zinc/54/22/71/662542271.db2.gz QCHPOKRYQTYNAB-ZIQFBCGOSA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC001026138974 662542274 /nfs/dbraw/zinc/54/22/74/662542274.db2.gz QCHPOKRYQTYNAB-ZIQFBCGOSA-N 1 1 323.397 -1.160 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143344 662542331 /nfs/dbraw/zinc/54/23/31/662542331.db2.gz WQWWZEAXBNGLIB-KHAFSYESSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143344 662542333 /nfs/dbraw/zinc/54/23/33/662542333.db2.gz WQWWZEAXBNGLIB-KHAFSYESSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001026139766 662542422 /nfs/dbraw/zinc/54/24/22/662542422.db2.gz QLMZYRGAZWJURX-LGMRYKSHSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001026139766 662542424 /nfs/dbraw/zinc/54/24/24/662542424.db2.gz QLMZYRGAZWJURX-LGMRYKSHSA-N 1 1 318.381 -1.170 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001026084119 662542465 /nfs/dbraw/zinc/54/24/65/662542465.db2.gz SMDQDDBOVPVOPS-YFVNTRNASA-N 1 1 308.382 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001026084119 662542467 /nfs/dbraw/zinc/54/24/67/662542467.db2.gz SMDQDDBOVPVOPS-YFVNTRNASA-N 1 1 308.382 -1.190 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146782 662542661 /nfs/dbraw/zinc/54/26/61/662542661.db2.gz MRPFFXQFOWDQOI-ZIQFBCGOSA-N 1 1 317.411 -1.241 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026147581 662542789 /nfs/dbraw/zinc/54/27/89/662542789.db2.gz VTOMMADEDZZTKT-AHRFKUBPSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026147581 662542792 /nfs/dbraw/zinc/54/27/92/662542792.db2.gz VTOMMADEDZZTKT-AHRFKUBPSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143342 662542875 /nfs/dbraw/zinc/54/28/75/662542875.db2.gz WQWWZEAXBNGLIB-GCJRFFTHSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143342 662542876 /nfs/dbraw/zinc/54/28/76/662542876.db2.gz WQWWZEAXBNGLIB-GCJRFFTHSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026142948 662542895 /nfs/dbraw/zinc/54/28/95/662542895.db2.gz QUSRPRJXIXLMAF-ODXJTPSBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146828 662542949 /nfs/dbraw/zinc/54/29/49/662542949.db2.gz WPBVMVUTUBQYBM-NZFPMDFQSA-N 1 1 303.384 -1.895 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O ZINC001026147610 662542959 /nfs/dbraw/zinc/54/29/59/662542959.db2.gz CRXUOHITQHUVBU-GCHJQGSQSA-N 1 1 302.396 -1.009 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O ZINC001026147610 662542961 /nfs/dbraw/zinc/54/29/61/662542961.db2.gz CRXUOHITQHUVBU-GCHJQGSQSA-N 1 1 302.396 -1.009 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)C1 ZINC001026143947 662542972 /nfs/dbraw/zinc/54/29/72/662542972.db2.gz VYTSLIDATHRRSF-DDNMXHNFSA-N 1 1 311.382 -1.339 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026142947 662543003 /nfs/dbraw/zinc/54/30/03/662543003.db2.gz QUSRPRJXIXLMAF-DGTMBMJNSA-N 1 1 320.393 -1.210 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026150271 662543029 /nfs/dbraw/zinc/54/30/29/662543029.db2.gz MLMSLKWRARWCRO-MEBFFEOJSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001026148848 662543069 /nfs/dbraw/zinc/54/30/69/662543069.db2.gz RMTDHRCWJUOBPX-OQEOFVATSA-N 1 1 318.381 -1.239 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001026148848 662543073 /nfs/dbraw/zinc/54/30/73/662543073.db2.gz RMTDHRCWJUOBPX-OQEOFVATSA-N 1 1 318.381 -1.239 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141704 662543138 /nfs/dbraw/zinc/54/31/38/662543138.db2.gz KPMBKGBCNFLLBT-LTLNDHLXSA-N 1 1 320.349 -1.883 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146780 662543164 /nfs/dbraw/zinc/54/31/64/662543164.db2.gz MRPFFXQFOWDQOI-HHHUOAJASA-N 1 1 317.411 -1.241 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001026149718 662543175 /nfs/dbraw/zinc/54/31/75/662543175.db2.gz USAUBUXRCHCOOT-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001026149718 662543176 /nfs/dbraw/zinc/54/31/76/662543176.db2.gz USAUBUXRCHCOOT-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026147584 662543242 /nfs/dbraw/zinc/54/32/42/662543242.db2.gz VTOMMADEDZZTKT-ZMHPAJMFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026147584 662543244 /nfs/dbraw/zinc/54/32/44/662543244.db2.gz VTOMMADEDZZTKT-ZMHPAJMFSA-N 1 1 324.381 -1.846 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001026154587 662543332 /nfs/dbraw/zinc/54/33/32/662543332.db2.gz SNJMEPAJXWDLGS-QSLWVIQJSA-N 1 1 324.425 -1.112 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153755 662543390 /nfs/dbraw/zinc/54/33/90/662543390.db2.gz GRMCCRVDTWLJOC-GCHJQGSQSA-N 1 1 323.397 -1.290 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147886 662543510 /nfs/dbraw/zinc/54/35/10/662543510.db2.gz WPURBSJGZJHCHX-ZUWCUPBKSA-N 1 1 322.409 -1.358 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCN1CCS(=O)(=O)CC1 ZINC000725886235 662543635 /nfs/dbraw/zinc/54/36/35/662543635.db2.gz UVFLOKWEKLPLNX-UHFFFAOYSA-N 1 1 319.427 -1.445 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026154873 662543679 /nfs/dbraw/zinc/54/36/79/662543679.db2.gz ZZZSATXERVMYPU-NKGMTQDZSA-N 1 1 320.349 -2.026 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973864474 662544539 /nfs/dbraw/zinc/54/45/39/662544539.db2.gz HMMJKYRZQNCAAP-UTUOFQBUSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973865031 662544651 /nfs/dbraw/zinc/54/46/51/662544651.db2.gz LLPFYZLSPUCQRG-TUAOUCFPSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973862550 662544704 /nfs/dbraw/zinc/54/47/04/662544704.db2.gz NBBKUPVKJCJYKB-SDDRHHMPSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]23)n1 ZINC001026222417 662544827 /nfs/dbraw/zinc/54/48/27/662544827.db2.gz FALJUMHAXMLJAE-OPRDCNLKSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)n1 ZINC001026222416 662545001 /nfs/dbraw/zinc/54/50/01/662545001.db2.gz FALJUMHAXMLJAE-LPEHRKFASA-N 1 1 307.358 -1.588 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949948 662546002 /nfs/dbraw/zinc/54/60/02/662546002.db2.gz HIFAUPCVFAKPSI-WISYIIOYSA-N 1 1 308.382 -1.020 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000973963870 662546226 /nfs/dbraw/zinc/54/62/26/662546226.db2.gz HOXIFZHSFGXJML-WRWGMCAJSA-N 1 1 308.382 -1.020 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000973964762 662546271 /nfs/dbraw/zinc/54/62/71/662546271.db2.gz LHQIGLABWMTWSA-WHOHXGKFSA-N 1 1 323.397 -1.132 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000973952944 662546316 /nfs/dbraw/zinc/54/63/16/662546316.db2.gz ZOYPZXMDMTUBHC-OUAUKWLOSA-N 1 1 322.369 -1.159 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973960107 662546325 /nfs/dbraw/zinc/54/63/25/662546325.db2.gz UHNWYWRNWNMWEK-ZRUFSTJUSA-N 1 1 309.370 -1.475 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000973964759 662546329 /nfs/dbraw/zinc/54/63/29/662546329.db2.gz LHQIGLABWMTWSA-KXNHARMFSA-N 1 1 323.397 -1.132 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000973963867 662546335 /nfs/dbraw/zinc/54/63/35/662546335.db2.gz HOXIFZHSFGXJML-WHOHXGKFSA-N 1 1 308.382 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000973963862 662546372 /nfs/dbraw/zinc/54/63/72/662546372.db2.gz HOXIFZHSFGXJML-KXNHARMFSA-N 1 1 308.382 -1.020 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973989106 662546657 /nfs/dbraw/zinc/54/66/57/662546657.db2.gz NIIKFQQXHXNXJF-AXFHLTTASA-N 1 1 322.369 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973989106 662546660 /nfs/dbraw/zinc/54/66/60/662546660.db2.gz NIIKFQQXHXNXJF-AXFHLTTASA-N 1 1 322.369 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973989108 662546743 /nfs/dbraw/zinc/54/67/43/662546743.db2.gz NIIKFQQXHXNXJF-OUAUKWLOSA-N 1 1 322.369 -1.179 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973989108 662546744 /nfs/dbraw/zinc/54/67/44/662546744.db2.gz NIIKFQQXHXNXJF-OUAUKWLOSA-N 1 1 322.369 -1.179 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973989204 662546854 /nfs/dbraw/zinc/54/68/54/662546854.db2.gz PDIPIIMNTYRJBI-AJSWTNHPSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973989204 662546858 /nfs/dbraw/zinc/54/68/58/662546858.db2.gz PDIPIIMNTYRJBI-AJSWTNHPSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973989189 662546994 /nfs/dbraw/zinc/54/69/94/662546994.db2.gz OWNRFLOCTBSAHC-KXNHARMFSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000973989189 662546997 /nfs/dbraw/zinc/54/69/97/662546997.db2.gz OWNRFLOCTBSAHC-KXNHARMFSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000974000576 662547119 /nfs/dbraw/zinc/54/71/19/662547119.db2.gz QRYYHMYRBHBGIL-NGZCFLSTSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000974000576 662547120 /nfs/dbraw/zinc/54/71/20/662547120.db2.gz QRYYHMYRBHBGIL-NGZCFLSTSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000974000577 662547475 /nfs/dbraw/zinc/54/74/75/662547475.db2.gz QRYYHMYRBHBGIL-WCABBAIRSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnon3)C2)C1 ZINC000974000577 662547476 /nfs/dbraw/zinc/54/74/76/662547476.db2.gz QRYYHMYRBHBGIL-WCABBAIRSA-N 1 1 309.326 -1.223 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000974146620 662552018 /nfs/dbraw/zinc/55/20/18/662552018.db2.gz HIFAUPCVFAKPSI-YFKTTZPYSA-N 1 1 308.382 -1.020 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974152671 662552020 /nfs/dbraw/zinc/55/20/20/662552020.db2.gz SRXGBUAVZTXWPB-AXFHLTTASA-N 1 1 320.353 -1.364 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000974150650 662552075 /nfs/dbraw/zinc/55/20/75/662552075.db2.gz NFPKLROXSFUNAF-NNYUYHANSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176387 662553684 /nfs/dbraw/zinc/55/36/84/662553684.db2.gz MQLYIAHGVWTBLV-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176387 662553687 /nfs/dbraw/zinc/55/36/87/662553687.db2.gz MQLYIAHGVWTBLV-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)no1 ZINC000974283463 662556210 /nfs/dbraw/zinc/55/62/10/662556210.db2.gz ZKMAUYWUHTUAAN-OCAPTIKFSA-N 1 1 309.326 -1.402 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974370722 662560162 /nfs/dbraw/zinc/56/01/62/662560162.db2.gz WVNMNWHMQXJABK-CHWFTXMASA-N 1 1 321.385 -1.215 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000974370492 662560392 /nfs/dbraw/zinc/56/03/92/662560392.db2.gz CMROONINRRAZRP-GARJFASQSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3=O)C2)n1 ZINC001026672817 662561498 /nfs/dbraw/zinc/56/14/98/662561498.db2.gz SHDYIUGFWYXRLD-LLVKDONJSA-N 1 1 321.385 -1.229 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3nccnc3N)C2)n1 ZINC001026739583 662562356 /nfs/dbraw/zinc/56/23/56/662562356.db2.gz XWIRUOFZEFIWTH-SECBINFHSA-N 1 1 317.357 -1.166 20 0 DAADMO Cc1c(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nnn1C ZINC001026751806 662562630 /nfs/dbraw/zinc/56/26/30/662562630.db2.gz SRYRXJATQUMSJT-SNVBAGLBSA-N 1 1 319.373 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC001026776781 662562680 /nfs/dbraw/zinc/56/26/80/662562680.db2.gz ORZPLQGEBSKYHW-GHMZBOCLSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2COCCN2C)C(C)(C)C1 ZINC000974484869 662562710 /nfs/dbraw/zinc/56/27/10/662562710.db2.gz OBVULINVQKRSSW-NEPJUHHUSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2C)C(C)(C)C1 ZINC000974484869 662562711 /nfs/dbraw/zinc/56/27/11/662562711.db2.gz OBVULINVQKRSSW-NEPJUHHUSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472476 662562729 /nfs/dbraw/zinc/56/27/29/662562729.db2.gz NCEVATVFWBZWBE-UWVGGRQHSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472476 662562730 /nfs/dbraw/zinc/56/27/30/662562730.db2.gz NCEVATVFWBZWBE-UWVGGRQHSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001026762994 662562761 /nfs/dbraw/zinc/56/27/61/662562761.db2.gz MAYXABGOBPENPE-SNVBAGLBSA-N 1 1 319.373 -1.101 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472480 662563111 /nfs/dbraw/zinc/56/31/11/662563111.db2.gz NCEVATVFWBZWBE-ZJUUUORDSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974472480 662563116 /nfs/dbraw/zinc/56/31/16/662563116.db2.gz NCEVATVFWBZWBE-ZJUUUORDSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001026749436 662563147 /nfs/dbraw/zinc/56/31/47/662563147.db2.gz IHLHUVDOHDVCCV-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001026790755 662563314 /nfs/dbraw/zinc/56/33/14/662563314.db2.gz GQDADYSJNGUSAT-LBPRGKRZSA-N 1 1 323.401 -1.520 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC001026793418 662563542 /nfs/dbraw/zinc/56/35/42/662563542.db2.gz BSKLGCHZYNYHBS-VIFPVBQESA-N 1 1 321.345 -1.855 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CCn3ccnn3)C2)n1 ZINC001026807911 662563550 /nfs/dbraw/zinc/56/35/50/662563550.db2.gz UEQTTWLJSJUIFT-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597482 662564554 /nfs/dbraw/zinc/56/45/54/662564554.db2.gz FIROLLFYRYHVGJ-JTQLQIEISA-N 1 1 324.385 -1.150 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602700 662564589 /nfs/dbraw/zinc/56/45/89/662564589.db2.gz LWPNRTQJQHPYAA-NSHDSACASA-N 1 1 319.373 -1.209 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602474 662564597 /nfs/dbraw/zinc/56/45/97/662564597.db2.gz KXUQLSXMRRMYFR-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602474 662564598 /nfs/dbraw/zinc/56/45/98/662564598.db2.gz KXUQLSXMRRMYFR-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600929 662564741 /nfs/dbraw/zinc/56/47/41/662564741.db2.gz HYUIKCCYILONSZ-WDEREUQCSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600929 662564744 /nfs/dbraw/zinc/56/47/44/662564744.db2.gz HYUIKCCYILONSZ-WDEREUQCSA-N 1 1 323.401 -1.024 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)n1 ZINC001026841034 662565045 /nfs/dbraw/zinc/56/50/45/662565045.db2.gz BGYXIKOUUXYFKA-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974608779 662565087 /nfs/dbraw/zinc/56/50/87/662565087.db2.gz YGRPWIJILQFXBJ-LLVKDONJSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974608779 662565090 /nfs/dbraw/zinc/56/50/90/662565090.db2.gz YGRPWIJILQFXBJ-LLVKDONJSA-N 1 1 321.385 -1.222 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607854 662565117 /nfs/dbraw/zinc/56/51/17/662565117.db2.gz WRRSFXYKLTVSLF-GHMZBOCLSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607854 662565119 /nfs/dbraw/zinc/56/51/19/662565119.db2.gz WRRSFXYKLTVSLF-GHMZBOCLSA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001026876033 662565469 /nfs/dbraw/zinc/56/54/69/662565469.db2.gz VLSRNOMDKMPYPC-WDEREUQCSA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001026876032 662565841 /nfs/dbraw/zinc/56/58/41/662565841.db2.gz VLSRNOMDKMPYPC-QWRGUYRKSA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)n1 ZINC001026898491 662566169 /nfs/dbraw/zinc/56/61/69/662566169.db2.gz LXXZXOUXXPWEOU-SECBINFHSA-N 1 1 309.374 -1.340 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)n1 ZINC001026902607 662566196 /nfs/dbraw/zinc/56/61/96/662566196.db2.gz NLJRFRGODIRALT-QWRGUYRKSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756894 662566713 /nfs/dbraw/zinc/56/67/13/662566713.db2.gz KZWGUZZBRDBYBG-SNVBAGLBSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756894 662566715 /nfs/dbraw/zinc/56/67/15/662566715.db2.gz KZWGUZZBRDBYBG-SNVBAGLBSA-N 1 1 324.385 -1.846 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000974783774 662566748 /nfs/dbraw/zinc/56/67/48/662566748.db2.gz OWKUIANTLMXMAL-SNVBAGLBSA-N 1 1 310.354 -1.232 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001026985083 662567684 /nfs/dbraw/zinc/56/76/84/662567684.db2.gz HULKXSMFTXNMCR-NXEZZACHSA-N 1 1 320.353 -1.030 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 ZINC001026988052 662567946 /nfs/dbraw/zinc/56/79/46/662567946.db2.gz XFEMPRGMRBFXDG-ZJUUUORDSA-N 1 1 307.358 -1.716 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C(C)(C)C1 ZINC000974860350 662568428 /nfs/dbraw/zinc/56/84/28/662568428.db2.gz CWXKHGROKXTQJB-VHSXEESVSA-N 1 1 317.411 -1.254 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C(C)(C)C1 ZINC000974860350 662568433 /nfs/dbraw/zinc/56/84/33/662568433.db2.gz CWXKHGROKXTQJB-VHSXEESVSA-N 1 1 317.411 -1.254 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001027029349 662568788 /nfs/dbraw/zinc/56/87/88/662568788.db2.gz ALPZBGTWGSKING-IUCAKERBSA-N 1 1 308.346 -2.170 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974917621 662570022 /nfs/dbraw/zinc/57/00/22/662570022.db2.gz CCJVLXARCIMPKR-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)[nH]c1=O ZINC001027038613 662570377 /nfs/dbraw/zinc/57/03/77/662570377.db2.gz NUYVIMAGZSZXRC-VIFPVBQESA-N 1 1 320.357 -1.099 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974945804 662570769 /nfs/dbraw/zinc/57/07/69/662570769.db2.gz GMYSKTRQAYZRCS-MXWKQRLJSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974945804 662570770 /nfs/dbraw/zinc/57/07/70/662570770.db2.gz GMYSKTRQAYZRCS-MXWKQRLJSA-N 1 1 310.354 -2.138 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000974912991 662570947 /nfs/dbraw/zinc/57/09/47/662570947.db2.gz LVFOVZUEMKBUCM-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c(=O)n(C)c1=O ZINC000975112491 662572805 /nfs/dbraw/zinc/57/28/05/662572805.db2.gz KEBCYHHIBWIGCQ-NSHDSACASA-N 1 1 324.381 -1.484 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683451 662572835 /nfs/dbraw/zinc/57/28/35/662572835.db2.gz WCSIRTLUKSSPQH-HTQZYQBOSA-N 1 1 317.371 -1.758 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001038683451 662572836 /nfs/dbraw/zinc/57/28/36/662572836.db2.gz WCSIRTLUKSSPQH-HTQZYQBOSA-N 1 1 317.371 -1.758 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001027118034 662573435 /nfs/dbraw/zinc/57/34/35/662573435.db2.gz KHXOHAOSNYVRLP-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863986 662573704 /nfs/dbraw/zinc/57/37/04/662573704.db2.gz VTORWRUUUOMEFO-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863986 662573705 /nfs/dbraw/zinc/57/37/05/662573705.db2.gz VTORWRUUUOMEFO-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001027118035 662573732 /nfs/dbraw/zinc/57/37/32/662573732.db2.gz KHXOHAOSNYVRLP-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001027118036 662573823 /nfs/dbraw/zinc/57/38/23/662573823.db2.gz KHXOHAOSNYVRLP-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001008928742 662574689 /nfs/dbraw/zinc/57/46/89/662574689.db2.gz OVUGTFGSXKEYLI-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001008928742 662574690 /nfs/dbraw/zinc/57/46/90/662574690.db2.gz OVUGTFGSXKEYLI-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001027160928 662575563 /nfs/dbraw/zinc/57/55/63/662575563.db2.gz MYPZBBNNQWKZFR-VIFPVBQESA-N 1 1 305.346 -1.491 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684070 662576010 /nfs/dbraw/zinc/57/60/10/662576010.db2.gz KSMNAUCFHVCXOG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684070 662576011 /nfs/dbraw/zinc/57/60/11/662576011.db2.gz KSMNAUCFHVCXOG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684053 662576244 /nfs/dbraw/zinc/57/62/44/662576244.db2.gz KSMNAUCFHVCXOG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006684053 662576247 /nfs/dbraw/zinc/57/62/47/662576247.db2.gz KSMNAUCFHVCXOG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027216717 662576489 /nfs/dbraw/zinc/57/64/89/662576489.db2.gz XEOYIFQKVBVOGY-VXGBXAGGSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1[n-]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001027216717 662576493 /nfs/dbraw/zinc/57/64/93/662576493.db2.gz XEOYIFQKVBVOGY-VXGBXAGGSA-N 1 1 322.413 -1.002 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696871 662577205 /nfs/dbraw/zinc/57/72/05/662577205.db2.gz VWWBLJDMYFRGIA-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006696871 662577209 /nfs/dbraw/zinc/57/72/09/662577209.db2.gz VWWBLJDMYFRGIA-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC001027289832 662577296 /nfs/dbraw/zinc/57/72/96/662577296.db2.gz KFLDYPUZHVOGKY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001009382400 662579012 /nfs/dbraw/zinc/57/90/12/662579012.db2.gz KQUSWCZZPJHFCZ-PWSUYJOCSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001009382399 662579145 /nfs/dbraw/zinc/57/91/45/662579145.db2.gz KQUSWCZZPJHFCZ-JQWIXIFHSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384123 662579408 /nfs/dbraw/zinc/57/94/08/662579408.db2.gz ULVXUDMOSJTYGA-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384123 662579410 /nfs/dbraw/zinc/57/94/10/662579410.db2.gz ULVXUDMOSJTYGA-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCO2)C1 ZINC000976204455 662579925 /nfs/dbraw/zinc/57/99/25/662579925.db2.gz IGYGAJGYOVXQBT-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCO2)C1 ZINC000976204464 662580098 /nfs/dbraw/zinc/58/00/98/662580098.db2.gz IGYGAJGYOVXQBT-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)C1 ZINC000976234302 662580938 /nfs/dbraw/zinc/58/09/38/662580938.db2.gz MHIYUHQSSRAURG-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)C1 ZINC000976234302 662580940 /nfs/dbraw/zinc/58/09/40/662580940.db2.gz MHIYUHQSSRAURG-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000976260934 662581493 /nfs/dbraw/zinc/58/14/93/662581493.db2.gz TXAWRKJZLFQQGE-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]21 ZINC000976275465 662581610 /nfs/dbraw/zinc/58/16/10/662581610.db2.gz VAHBGGFQPMTYNU-ROHXPCBUSA-N 1 1 322.365 -1.238 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458715 662581799 /nfs/dbraw/zinc/58/17/99/662581799.db2.gz LXZNMSLYOYSCAT-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458715 662581801 /nfs/dbraw/zinc/58/18/01/662581801.db2.gz LXZNMSLYOYSCAT-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 ZINC000976267396 662581963 /nfs/dbraw/zinc/58/19/63/662581963.db2.gz ITTMHXITRYLHJN-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000976267937 662582011 /nfs/dbraw/zinc/58/20/11/662582011.db2.gz TXAWRKJZLFQQGE-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC000976267730 662582325 /nfs/dbraw/zinc/58/23/25/662582325.db2.gz JQIXSTQFJMQPEO-RNWYCLNJSA-N 1 1 321.381 -1.665 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976304349 662582648 /nfs/dbraw/zinc/58/26/48/662582648.db2.gz HHTORIQTEMYSSS-LBELIVKGSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976304349 662582653 /nfs/dbraw/zinc/58/26/53/662582653.db2.gz HHTORIQTEMYSSS-LBELIVKGSA-N 1 1 311.382 -1.075 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027340773 662582720 /nfs/dbraw/zinc/58/27/20/662582720.db2.gz FRZGZDQCMKZILC-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]32)C1 ZINC000976311153 662582771 /nfs/dbraw/zinc/58/27/71/662582771.db2.gz NAMICVSCQMTMBB-XQHKEYJVSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]c4)C[C@H]32)C1 ZINC000976311153 662582776 /nfs/dbraw/zinc/58/27/76/662582776.db2.gz NAMICVSCQMTMBB-XQHKEYJVSA-N 1 1 319.365 -1.073 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001006704642 662582794 /nfs/dbraw/zinc/58/27/94/662582794.db2.gz QGRPFQGKDFXRRA-JOYOIKCWSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001006704642 662582798 /nfs/dbraw/zinc/58/27/98/662582798.db2.gz QGRPFQGKDFXRRA-JOYOIKCWSA-N 1 1 323.353 -1.023 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]32)C1 ZINC000976303356 662582896 /nfs/dbraw/zinc/58/28/96/662582896.db2.gz DDMAEAASVDPHLI-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]32)C1 ZINC000976303356 662582897 /nfs/dbraw/zinc/58/28/97/662582897.db2.gz DDMAEAASVDPHLI-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000976430506 662583856 /nfs/dbraw/zinc/58/38/56/662583856.db2.gz GLCRIYARDHIUTN-RNWYCLNJSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1 ZINC000976437025 662584642 /nfs/dbraw/zinc/58/46/42/662584642.db2.gz CLAYXVVXJKHJFI-ZIQFBCGOSA-N 1 1 322.365 -1.381 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]32)nn1 ZINC000976452924 662585265 /nfs/dbraw/zinc/58/52/65/662585265.db2.gz UUMXSRMQGLQLGE-DCQANWLSSA-N 1 1 318.381 -1.047 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976504491 662585814 /nfs/dbraw/zinc/58/58/14/662585814.db2.gz VSOLRLWFUYQCOM-WHOHXGKFSA-N 1 1 308.382 -1.083 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)C1 ZINC000976472734 662585839 /nfs/dbraw/zinc/58/58/39/662585839.db2.gz QYWIIIQMCPMLIK-KXNHARMFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)C1 ZINC000976472734 662585841 /nfs/dbraw/zinc/58/58/41/662585841.db2.gz QYWIIIQMCPMLIK-KXNHARMFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]32)C1 ZINC000976535442 662585975 /nfs/dbraw/zinc/58/59/75/662585975.db2.gz KWBBMBNDIFLYNY-DCQANWLSSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976530669 662585977 /nfs/dbraw/zinc/58/59/77/662585977.db2.gz DIISACZRPRKGHI-UXCLJVHYSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]32)C1 ZINC000976537522 662586185 /nfs/dbraw/zinc/58/61/85/662586185.db2.gz USMLKQOWMHSWLD-ZIQFBCGOSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]32)C1 ZINC000976537496 662586291 /nfs/dbraw/zinc/58/62/91/662586291.db2.gz UIVCBWMSFYDDGZ-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]32)C1 ZINC000976543003 662586536 /nfs/dbraw/zinc/58/65/36/662586536.db2.gz ZPXPPQOHLOMXAS-ZIQFBCGOSA-N 1 1 321.381 -1.808 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976540844 662587045 /nfs/dbraw/zinc/58/70/45/662587045.db2.gz OKEZQPDEDCWPRQ-UKKRHICBSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000976553206 662587099 /nfs/dbraw/zinc/58/70/99/662587099.db2.gz VRVIIWNCXOJKRZ-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]32)C1 ZINC000976541851 662587217 /nfs/dbraw/zinc/58/72/17/662587217.db2.gz UIVCBWMSFYDDGZ-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000976605878 662587556 /nfs/dbraw/zinc/58/75/56/662587556.db2.gz OASWORSZFGSDBU-YTWAJWBKSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000976605878 662587558 /nfs/dbraw/zinc/58/75/58/662587558.db2.gz OASWORSZFGSDBU-YTWAJWBKSA-N 1 1 310.354 -2.235 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976603701 662587806 /nfs/dbraw/zinc/58/78/06/662587806.db2.gz GGLGHHZJPOQWFV-BBGACYKPSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976603701 662587807 /nfs/dbraw/zinc/58/78/07/662587807.db2.gz GGLGHHZJPOQWFV-BBGACYKPSA-N 1 1 324.381 -1.845 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)nn1 ZINC001027407920 662588296 /nfs/dbraw/zinc/58/82/96/662588296.db2.gz DUQVQTZUIHDTHK-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)nn1 ZINC001027407920 662588298 /nfs/dbraw/zinc/58/82/98/662588298.db2.gz DUQVQTZUIHDTHK-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411844 662588937 /nfs/dbraw/zinc/58/89/37/662588937.db2.gz IYTNOMIHHHTGEN-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)O1 ZINC000976754845 662589241 /nfs/dbraw/zinc/58/92/41/662589241.db2.gz FXTSNZQNANIGGW-QEGBUVANSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)O1 ZINC000976754845 662589244 /nfs/dbraw/zinc/58/92/44/662589244.db2.gz FXTSNZQNANIGGW-QEGBUVANSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC000976757318 662589364 /nfs/dbraw/zinc/58/93/64/662589364.db2.gz SIWBEDUZSBBYTO-NZFPMDFQSA-N 1 1 310.354 -2.236 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC000976757318 662589365 /nfs/dbraw/zinc/58/93/65/662589365.db2.gz SIWBEDUZSBBYTO-NZFPMDFQSA-N 1 1 310.354 -2.236 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000976786686 662589858 /nfs/dbraw/zinc/58/98/58/662589858.db2.gz CAFNTYKFZJEMGP-DEKYYXRVSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)c1=O ZINC001027434516 662591611 /nfs/dbraw/zinc/59/16/11/662591611.db2.gz RUAXIQHQEAVTSR-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)c1=O ZINC001027434517 662591750 /nfs/dbraw/zinc/59/17/50/662591750.db2.gz RUAXIQHQEAVTSR-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976868048 662592123 /nfs/dbraw/zinc/59/21/23/662592123.db2.gz YXPNESRYLJYHLL-OZWUEAAUSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446656 662592732 /nfs/dbraw/zinc/59/27/32/662592732.db2.gz QKJKBEPDGGTPIM-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001027446656 662592734 /nfs/dbraw/zinc/59/27/34/662592734.db2.gz QKJKBEPDGGTPIM-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000976940754 662592947 /nfs/dbraw/zinc/59/29/47/662592947.db2.gz YDDJBQIDSHHCDD-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC000976940747 662592969 /nfs/dbraw/zinc/59/29/69/662592969.db2.gz YDDJBQIDSHHCDD-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1 ZINC000977030212 662596398 /nfs/dbraw/zinc/59/63/98/662596398.db2.gz FRPPHSOEGNKJQA-DMWPJOQESA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1 ZINC000977030212 662596401 /nfs/dbraw/zinc/59/64/01/662596401.db2.gz FRPPHSOEGNKJQA-DMWPJOQESA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000977076580 662597091 /nfs/dbraw/zinc/59/70/91/662597091.db2.gz SDKYRFDGQOWSCT-RNWYCLNJSA-N 1 1 321.381 -1.665 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977090762 662598705 /nfs/dbraw/zinc/59/87/05/662598705.db2.gz FMQALIONHYJDRF-WHOHXGKFSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977090199 662598710 /nfs/dbraw/zinc/59/87/10/662598710.db2.gz TVSOZXPWBIWAIY-WHOHXGKFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977090199 662598711 /nfs/dbraw/zinc/59/87/11/662598711.db2.gz TVSOZXPWBIWAIY-WHOHXGKFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977090757 662598727 /nfs/dbraw/zinc/59/87/27/662598727.db2.gz FMQALIONHYJDRF-KXNHARMFSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977094379 662599311 /nfs/dbraw/zinc/59/93/11/662599311.db2.gz ISNBCTVMHDBPKR-RNFDROQYSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977206075 662601285 /nfs/dbraw/zinc/60/12/85/662601285.db2.gz BAFLCHBFGFNZAV-YBRCUDMCSA-N 1 1 308.382 -1.368 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]n2)C1 ZINC000977258098 662601934 /nfs/dbraw/zinc/60/19/34/662601934.db2.gz GWQWIJSGDRJRAB-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1 ZINC000977258098 662601935 /nfs/dbraw/zinc/60/19/35/662601935.db2.gz GWQWIJSGDRJRAB-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1 ZINC000977258098 662601936 /nfs/dbraw/zinc/60/19/36/662601936.db2.gz GWQWIJSGDRJRAB-KZWBYHQPSA-N 1 1 318.381 -1.128 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977463890 662603020 /nfs/dbraw/zinc/60/30/20/662603020.db2.gz CQXUVDBMNUPSBR-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977498141 662603480 /nfs/dbraw/zinc/60/34/80/662603480.db2.gz WHZLRSPZKUOZGB-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000977483138 662603494 /nfs/dbraw/zinc/60/34/94/662603494.db2.gz FREHPYODADBFHJ-JTQLQIEISA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001027530109 662603504 /nfs/dbraw/zinc/60/35/04/662603504.db2.gz RIKJSTNOCIXKLJ-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001027530109 662603505 /nfs/dbraw/zinc/60/35/05/662603505.db2.gz RIKJSTNOCIXKLJ-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC000977498149 662603508 /nfs/dbraw/zinc/60/35/08/662603508.db2.gz WHZLRSPZKUOZGB-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977485021 662603533 /nfs/dbraw/zinc/60/35/33/662603533.db2.gz ZCBDNNIRBXYENJ-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977524352 662603835 /nfs/dbraw/zinc/60/38/35/662603835.db2.gz OHDNAXCCCVXQKB-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977524352 662603837 /nfs/dbraw/zinc/60/38/37/662603837.db2.gz OHDNAXCCCVXQKB-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000977602538 662604001 /nfs/dbraw/zinc/60/40/01/662604001.db2.gz LDIAEMYQXDEJRQ-MNOVXSKESA-N 1 1 319.427 -1.113 20 0 DAADMO CN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001027532968 662603915 /nfs/dbraw/zinc/60/39/15/662603915.db2.gz FZBNRHPIYQPBIF-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977579446 662604067 /nfs/dbraw/zinc/60/40/67/662604067.db2.gz RYEMGBPERZKKNY-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977565022 662604130 /nfs/dbraw/zinc/60/41/30/662604130.db2.gz IKACAOPCSJJMTJ-GHMZBOCLSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000977565022 662604131 /nfs/dbraw/zinc/60/41/31/662604131.db2.gz IKACAOPCSJJMTJ-GHMZBOCLSA-N 1 1 306.370 -1.007 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c(=O)[nH]c1=O ZINC000977592251 662604137 /nfs/dbraw/zinc/60/41/37/662604137.db2.gz UCAJWCLBFHCRFD-SNVBAGLBSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977579469 662604189 /nfs/dbraw/zinc/60/41/89/662604189.db2.gz RYEMGBPERZKKNY-ZJUUUORDSA-N 1 1 312.370 -1.254 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000977608229 662604237 /nfs/dbraw/zinc/60/42/37/662604237.db2.gz ZMPVYSBLOUNBDA-UWVGGRQHSA-N 1 1 305.400 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977564642 662604317 /nfs/dbraw/zinc/60/43/17/662604317.db2.gz HHSAVTGFYCFTQK-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977564642 662604318 /nfs/dbraw/zinc/60/43/18/662604318.db2.gz HHSAVTGFYCFTQK-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977619601 662604596 /nfs/dbraw/zinc/60/45/96/662604596.db2.gz BUYUENOVUPBODI-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977622803 662604629 /nfs/dbraw/zinc/60/46/29/662604629.db2.gz SNUFRXJSCKLNSV-ONGXEEELSA-N 1 1 324.385 -1.416 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635048 662604647 /nfs/dbraw/zinc/60/46/47/662604647.db2.gz JZJLJDPFUUAAFQ-NSHDSACASA-N 1 1 323.397 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635048 662604649 /nfs/dbraw/zinc/60/46/49/662604649.db2.gz JZJLJDPFUUAAFQ-NSHDSACASA-N 1 1 323.397 -1.090 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)C(C)(C)C1 ZINC000977619604 662604715 /nfs/dbraw/zinc/60/47/15/662604715.db2.gz BUYUENOVUPBODI-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551104 662605385 /nfs/dbraw/zinc/60/53/85/662605385.db2.gz ISEWGTZPBXWABZ-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663291 662605424 /nfs/dbraw/zinc/60/54/24/662605424.db2.gz VIQIAONPNPLXOK-NXEZZACHSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663291 662605426 /nfs/dbraw/zinc/60/54/26/662605426.db2.gz VIQIAONPNPLXOK-NXEZZACHSA-N 1 1 324.381 -1.388 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551667 662605570 /nfs/dbraw/zinc/60/55/70/662605570.db2.gz PTMKVNJKVJZXMQ-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551667 662605572 /nfs/dbraw/zinc/60/55/72/662605572.db2.gz PTMKVNJKVJZXMQ-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000977683415 662605710 /nfs/dbraw/zinc/60/57/10/662605710.db2.gz ATTFHJWLYUDIQS-LPWJVIDDSA-N 1 1 309.366 -1.190 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554203 662605781 /nfs/dbraw/zinc/60/57/81/662605781.db2.gz MYLZXMJPROXDGO-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554204 662605801 /nfs/dbraw/zinc/60/58/01/662605801.db2.gz MYLZXMJPROXDGO-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551665 662605840 /nfs/dbraw/zinc/60/58/40/662605840.db2.gz PTMKVNJKVJZXMQ-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027551665 662605841 /nfs/dbraw/zinc/60/58/41/662605841.db2.gz PTMKVNJKVJZXMQ-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21 ZINC000977742255 662605959 /nfs/dbraw/zinc/60/59/59/662605959.db2.gz SXRMUIZSZFQTMN-XYYAHUGASA-N 1 1 306.366 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC000977751058 662605999 /nfs/dbraw/zinc/60/59/99/662605999.db2.gz IXEFETYNLPMGJR-OWUUHHOZSA-N 1 1 305.338 -1.164 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000977749494 662606035 /nfs/dbraw/zinc/60/60/35/662606035.db2.gz FIPKRBPBYPWNQC-GUDRVLHUSA-N 1 1 317.349 -1.022 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977742155 662606083 /nfs/dbraw/zinc/60/60/83/662606083.db2.gz JJOMHVUSMDCGRJ-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977742149 662606162 /nfs/dbraw/zinc/60/61/62/662606162.db2.gz JJOMHVUSMDCGRJ-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000977749534 662606179 /nfs/dbraw/zinc/60/61/79/662606179.db2.gz FIPKRBPBYPWNQC-MWGHHZFTSA-N 1 1 317.349 -1.022 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCO3)[C@@H]2C1)N1CCC1 ZINC000977833529 662606376 /nfs/dbraw/zinc/60/63/76/662606376.db2.gz DJQYYQLBPBHNHZ-YIYPIFLZSA-N 1 1 323.393 -1.072 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977953399 662607370 /nfs/dbraw/zinc/60/73/70/662607370.db2.gz JHSWAOSMFNNDBS-YIYPIFLZSA-N 1 1 324.425 -1.301 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000977955630 662607465 /nfs/dbraw/zinc/60/74/65/662607465.db2.gz MFBZIUHHWMINKE-FVCCEPFGSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000977955630 662607467 /nfs/dbraw/zinc/60/74/67/662607467.db2.gz MFBZIUHHWMINKE-FVCCEPFGSA-N 1 1 318.381 -1.112 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027574963 662607482 /nfs/dbraw/zinc/60/74/82/662607482.db2.gz WWOUJUVHWPZVQT-GARJFASQSA-N 1 1 312.370 -1.573 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027574963 662607484 /nfs/dbraw/zinc/60/74/84/662607484.db2.gz WWOUJUVHWPZVQT-GARJFASQSA-N 1 1 312.370 -1.573 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027574965 662607568 /nfs/dbraw/zinc/60/75/68/662607568.db2.gz WWOUJUVHWPZVQT-OUAUKWLOSA-N 1 1 312.370 -1.573 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001027574965 662607569 /nfs/dbraw/zinc/60/75/69/662607569.db2.gz WWOUJUVHWPZVQT-OUAUKWLOSA-N 1 1 312.370 -1.573 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000978011579 662608166 /nfs/dbraw/zinc/60/81/66/662608166.db2.gz OMAMDEQWYHQEOA-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000978010134 662608204 /nfs/dbraw/zinc/60/82/04/662608204.db2.gz KOZLRTCYXIHUNO-FIQHERPVSA-N 1 1 308.382 -1.447 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC000978056703 662608401 /nfs/dbraw/zinc/60/84/01/662608401.db2.gz GYLPBLQQLMBEOQ-FQUUOJAGSA-N 1 1 324.425 -1.301 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC000978043797 662608407 /nfs/dbraw/zinc/60/84/07/662608407.db2.gz CXLWTBAYHIKNAQ-OYBPUVFXSA-N 1 1 306.370 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC000978074759 662608849 /nfs/dbraw/zinc/60/88/49/662608849.db2.gz ZZJYCAVCILEVLR-WLLOZRIZSA-N 1 1 320.397 -1.002 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)nn1 ZINC000978119029 662609513 /nfs/dbraw/zinc/60/95/13/662609513.db2.gz YDSRXBZGELMDGS-YFKTTZPYSA-N 1 1 320.353 -1.283 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)nn1 ZINC000978119029 662609515 /nfs/dbraw/zinc/60/95/15/662609515.db2.gz YDSRXBZGELMDGS-YFKTTZPYSA-N 1 1 320.353 -1.283 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978123717 662609536 /nfs/dbraw/zinc/60/95/36/662609536.db2.gz VNXRQMFSNKAHCM-MWGHHZFTSA-N 1 1 306.370 -1.013 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000978173817 662610245 /nfs/dbraw/zinc/61/02/45/662610245.db2.gz PARSBYHPKDDHMM-CHWFTXMASA-N 1 1 304.354 -1.389 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199111 662610993 /nfs/dbraw/zinc/61/09/93/662610993.db2.gz ZOMMBVGGNVMAAT-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199111 662610996 /nfs/dbraw/zinc/61/09/96/662610996.db2.gz ZOMMBVGGNVMAAT-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC000978227537 662611373 /nfs/dbraw/zinc/61/13/73/662611373.db2.gz FGTLPXRHZBQDKU-KKOKHZNYSA-N 1 1 308.382 -1.495 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000978231762 662611393 /nfs/dbraw/zinc/61/13/93/662611393.db2.gz MHLCPQFPMGYPDC-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc[nH]c3=O)[C@@H]2C1 ZINC000978305363 662612150 /nfs/dbraw/zinc/61/21/50/662612150.db2.gz DBXZVUVPZJCEMJ-MPKXCIJOSA-N 1 1 305.338 -1.036 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC000978308712 662612456 /nfs/dbraw/zinc/61/24/56/662612456.db2.gz XEQQINVJNSBVCR-RTCCRHLQSA-N 1 1 319.365 -1.194 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 ZINC000978291911 662612479 /nfs/dbraw/zinc/61/24/79/662612479.db2.gz KQEUXEMFZQJJEX-GCQYFTOKSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC000978306344 662612486 /nfs/dbraw/zinc/61/24/86/662612486.db2.gz SLYFZNYKYHSILZ-DMLMCSCLSA-N 1 1 305.338 -1.036 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC000978303203 662612826 /nfs/dbraw/zinc/61/28/26/662612826.db2.gz HVPKTGCWAHPRMQ-OWUUHHOZSA-N 1 1 305.338 -1.827 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC000978319249 662612894 /nfs/dbraw/zinc/61/28/94/662612894.db2.gz IGAAWCJDTQVHHM-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001027612528 662612901 /nfs/dbraw/zinc/61/29/01/662612901.db2.gz JYDRODZWIWAMHU-VTWZXRTESA-N 1 1 324.381 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC000978400409 662613079 /nfs/dbraw/zinc/61/30/79/662613079.db2.gz YZKUEQBJMUSGIZ-FIQHERPVSA-N 1 1 308.382 -1.447 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]n1 ZINC000978394737 662613108 /nfs/dbraw/zinc/61/31/08/662613108.db2.gz PKGZYWWZVBMBIL-SDNRWEOFSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978394737 662613110 /nfs/dbraw/zinc/61/31/10/662613110.db2.gz PKGZYWWZVBMBIL-SDNRWEOFSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978394737 662613112 /nfs/dbraw/zinc/61/31/12/662613112.db2.gz PKGZYWWZVBMBIL-SDNRWEOFSA-N 1 1 318.337 -1.483 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978379174 662613331 /nfs/dbraw/zinc/61/33/31/662613331.db2.gz YQHHQCFUTJFBGO-FVCCEPFGSA-N 1 1 310.398 -1.514 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]n1 ZINC000978394704 662613345 /nfs/dbraw/zinc/61/33/45/662613345.db2.gz PKGZYWWZVBMBIL-CKEKPRIKSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978394704 662613346 /nfs/dbraw/zinc/61/33/46/662613346.db2.gz PKGZYWWZVBMBIL-CKEKPRIKSA-N 1 1 318.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978394704 662613347 /nfs/dbraw/zinc/61/33/47/662613347.db2.gz PKGZYWWZVBMBIL-CKEKPRIKSA-N 1 1 318.337 -1.483 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001027617879 662613382 /nfs/dbraw/zinc/61/33/82/662613382.db2.gz BOMHCMYTZYRPFW-GFCCVEGCSA-N 1 1 324.381 -1.158 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978411641 662613634 /nfs/dbraw/zinc/61/36/34/662613634.db2.gz RFDHFXOUHMJDNN-RTCCRHLQSA-N 1 1 321.381 -1.041 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1=O ZINC000978466051 662613840 /nfs/dbraw/zinc/61/38/40/662613840.db2.gz FRAMMEYMVUPEJD-OWUUHHOZSA-N 1 1 320.349 -1.224 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC000978466051 662613841 /nfs/dbraw/zinc/61/38/41/662613841.db2.gz FRAMMEYMVUPEJD-OWUUHHOZSA-N 1 1 320.349 -1.224 20 0 DAADMO COCCn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000978477904 662613946 /nfs/dbraw/zinc/61/39/46/662613946.db2.gz COBWVDUJJPLYGW-CNDDSTCGSA-N 1 1 321.381 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC000978437611 662614042 /nfs/dbraw/zinc/61/40/42/662614042.db2.gz OUHNNESZCATNOW-KKOKHZNYSA-N 1 1 323.397 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978548429 662614156 /nfs/dbraw/zinc/61/41/56/662614156.db2.gz NQVJYSVLBADNLJ-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3coc(C(N)=O)c3)[C@@H]2C1 ZINC000978519680 662614203 /nfs/dbraw/zinc/61/42/03/662614203.db2.gz GMWZNBYCZXEYHD-OWUUHHOZSA-N 1 1 306.322 -1.229 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978583029 662614307 /nfs/dbraw/zinc/61/43/07/662614307.db2.gz LOCISFLSVAMQRA-CHWFTXMASA-N 1 1 309.370 -1.950 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000978570385 662614312 /nfs/dbraw/zinc/61/43/12/662614312.db2.gz YLTOSTJBMOOCJV-MMWGEVLESA-N 1 1 304.354 -1.091 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC000978529770 662614375 /nfs/dbraw/zinc/61/43/75/662614375.db2.gz FCFJWPRMWJXXCZ-DBIOUOCHSA-N 1 1 319.365 -1.438 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC000978597598 662614537 /nfs/dbraw/zinc/61/45/37/662614537.db2.gz DKDQQUWWRNMMSN-ZDEQEGDKSA-N 1 1 320.393 -1.305 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC000978629669 662614921 /nfs/dbraw/zinc/61/49/21/662614921.db2.gz HFQPMQDCSYHNDO-ZDEQEGDKSA-N 1 1 322.409 -1.153 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978615589 662614975 /nfs/dbraw/zinc/61/49/75/662614975.db2.gz MPWYGRYXWHFDLC-OWUUHHOZSA-N 1 1 305.338 -1.116 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 ZINC000978616421 662615339 /nfs/dbraw/zinc/61/53/39/662615339.db2.gz OLLQTBQLXPXDOS-FVCCEPFGSA-N 1 1 322.409 -1.011 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)nn1 ZINC000978662445 662615482 /nfs/dbraw/zinc/61/54/82/662615482.db2.gz DBRZZONHAWLINU-WISYIIOYSA-N 1 1 319.369 -1.710 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)nn1 ZINC000978662445 662615485 /nfs/dbraw/zinc/61/54/85/662615485.db2.gz DBRZZONHAWLINU-WISYIIOYSA-N 1 1 319.369 -1.710 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978662140 662615521 /nfs/dbraw/zinc/61/55/21/662615521.db2.gz UYFWKNQRZYYEBO-OWUUHHOZSA-N 1 1 305.338 -1.577 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000978668808 662615675 /nfs/dbraw/zinc/61/56/75/662615675.db2.gz QZLFGMNRIJXMFO-GRYCIOLGSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978648214 662615694 /nfs/dbraw/zinc/61/56/94/662615694.db2.gz ASXRXBFPVVQFKH-RVMXOQNASA-N 1 1 318.381 -1.105 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000978678434 662616121 /nfs/dbraw/zinc/61/61/21/662616121.db2.gz XCIONUOVRQRBHG-WISYIIOYSA-N 1 1 316.365 -1.048 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000978678434 662616123 /nfs/dbraw/zinc/61/61/23/662616123.db2.gz XCIONUOVRQRBHG-WISYIIOYSA-N 1 1 316.365 -1.048 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038767857 662616513 /nfs/dbraw/zinc/61/65/13/662616513.db2.gz LTLGTHWACGUFNZ-QWRGUYRKSA-N 1 1 324.381 -1.077 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000978844264 662617393 /nfs/dbraw/zinc/61/73/93/662617393.db2.gz UUKZKLNIHIETBA-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000978819653 662617414 /nfs/dbraw/zinc/61/74/14/662617414.db2.gz PLLZGSFIIALLMD-OWUUHHOZSA-N 1 1 305.338 -1.122 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675157 662617418 /nfs/dbraw/zinc/61/74/18/662617418.db2.gz QAVPJGCBVITCRA-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000978844263 662617427 /nfs/dbraw/zinc/61/74/27/662617427.db2.gz UUKZKLNIHIETBA-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673505 662617488 /nfs/dbraw/zinc/61/74/88/662617488.db2.gz JKJAMTADOMGWRH-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675156 662617519 /nfs/dbraw/zinc/61/75/19/662617519.db2.gz QAVPJGCBVITCRA-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nc4ncccn4n3)[C@@H]2C1 ZINC000978861034 662617718 /nfs/dbraw/zinc/61/77/18/662617718.db2.gz GGNGIBBNYPBAQA-OWUUHHOZSA-N 1 1 315.337 -1.483 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693077 662618048 /nfs/dbraw/zinc/61/80/48/662618048.db2.gz RABLVPPPRSJGSX-VIFPVBQESA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693077 662618050 /nfs/dbraw/zinc/61/80/50/662618050.db2.gz RABLVPPPRSJGSX-VIFPVBQESA-N 1 1 323.357 -2.215 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1)NC1CC1 ZINC000978876685 662618068 /nfs/dbraw/zinc/61/80/68/662618068.db2.gz HABQBYCUOKNOJU-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1)NC1CC1 ZINC000978876685 662618070 /nfs/dbraw/zinc/61/80/70/662618070.db2.gz HABQBYCUOKNOJU-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn[nH]3)[C@@H]2C1)NC1CC1 ZINC000978876685 662618072 /nfs/dbraw/zinc/61/80/72/662618072.db2.gz HABQBYCUOKNOJU-RTCCRHLQSA-N 1 1 304.354 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000978912826 662618146 /nfs/dbraw/zinc/61/81/46/662618146.db2.gz MIQRONQGPSVVFK-OWUUHHOZSA-N 1 1 305.338 -1.494 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1nnc[nH]1 ZINC000978875199 662618157 /nfs/dbraw/zinc/61/81/57/662618157.db2.gz CUQQYJRHFNLBLX-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978875199 662618159 /nfs/dbraw/zinc/61/81/59/662618159.db2.gz CUQQYJRHFNLBLX-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978875199 662618162 /nfs/dbraw/zinc/61/81/62/662618162.db2.gz CUQQYJRHFNLBLX-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978875199 662618165 /nfs/dbraw/zinc/61/81/65/662618165.db2.gz CUQQYJRHFNLBLX-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978875199 662618167 /nfs/dbraw/zinc/61/81/67/662618167.db2.gz CUQQYJRHFNLBLX-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000978876513 662618250 /nfs/dbraw/zinc/61/82/50/662618250.db2.gz LDZGJCDQFOJXLV-MWGHHZFTSA-N 1 1 304.354 -1.389 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027703408 662618554 /nfs/dbraw/zinc/61/85/54/662618554.db2.gz BVHROACWEIEOLO-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001027703408 662618555 /nfs/dbraw/zinc/61/85/55/662618555.db2.gz BVHROACWEIEOLO-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000978942448 662618557 /nfs/dbraw/zinc/61/85/57/662618557.db2.gz SKOPCNSEAYGBKL-DBIOUOCHSA-N 1 1 318.381 -1.311 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 ZINC000979050449 662619777 /nfs/dbraw/zinc/61/97/77/662619777.db2.gz BYFYZDAYFGFOPE-DBIOUOCHSA-N 1 1 319.365 -1.136 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075777 662619837 /nfs/dbraw/zinc/61/98/37/662619837.db2.gz XIZPMAIHQTZYER-RVMXOQNASA-N 1 1 310.398 -1.514 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979084987 662620239 /nfs/dbraw/zinc/62/02/39/662620239.db2.gz CMTXYYQLPMQXNC-FVCCEPFGSA-N 1 1 324.381 -1.987 20 0 DAADMO Cn1nnc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC000979072596 662620289 /nfs/dbraw/zinc/62/02/89/662620289.db2.gz OFFTYSSQAAMTGL-ZDEQEGDKSA-N 1 1 319.413 -1.044 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000979094765 662620532 /nfs/dbraw/zinc/62/05/32/662620532.db2.gz SKRFGXFXEUBSJQ-YIYPIFLZSA-N 1 1 311.382 -1.480 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979196404 662621982 /nfs/dbraw/zinc/62/19/82/662621982.db2.gz SYVUUGSPFRASQI-ONGXEEELSA-N 1 1 322.329 -1.538 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000979203076 662622075 /nfs/dbraw/zinc/62/20/75/662622075.db2.gz BCQPXAUXIJJCIF-USZNOCQGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979196402 662622176 /nfs/dbraw/zinc/62/21/76/662622176.db2.gz SYVUUGSPFRASQI-MWLCHTKSSA-N 1 1 322.329 -1.538 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC000979235942 662622432 /nfs/dbraw/zinc/62/24/32/662622432.db2.gz KTNHYFUVUGWMME-ZYHUDNBSSA-N 1 1 324.385 -1.121 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000979230296 662622510 /nfs/dbraw/zinc/62/25/10/662622510.db2.gz PHZMDXVKJOGQAN-NNYUYHANSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231051 662622801 /nfs/dbraw/zinc/62/28/01/662622801.db2.gz DDLVWHUDOIDZNC-GXSJLCMTSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC000979294379 662622943 /nfs/dbraw/zinc/62/29/43/662622943.db2.gz JXMOBGFPDWHWJJ-GXSJLCMTSA-N 1 1 322.329 -1.538 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979234124 662623087 /nfs/dbraw/zinc/62/30/87/662623087.db2.gz IVOCXMRNTZBIMA-UWVGGRQHSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979298726 662623093 /nfs/dbraw/zinc/62/30/93/662623093.db2.gz GYGFYGZOVXAFLM-NXEZZACHSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979338920 662623146 /nfs/dbraw/zinc/62/31/46/662623146.db2.gz IDIADZVPGDYWET-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979315901 662623261 /nfs/dbraw/zinc/62/32/61/662623261.db2.gz RECGVDHOORDSIZ-SCZZXKLOSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979340441 662623379 /nfs/dbraw/zinc/62/33/79/662623379.db2.gz JUEWLJVTWQOSFR-SKDRFNHKSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979349508 662623444 /nfs/dbraw/zinc/62/34/44/662623444.db2.gz UZBMZNDSJAYYIV-CABZTGNLSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C1CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354320 662623689 /nfs/dbraw/zinc/62/36/89/662623689.db2.gz DYTFVNMNXZRDBR-WPRPVWTQSA-N 1 1 323.357 -1.801 20 0 DAADMO Cc1ccnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979353328 662623914 /nfs/dbraw/zinc/62/39/14/662623914.db2.gz CYPFTAPBWHWICP-QWRGUYRKSA-N 1 1 307.354 -1.024 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979364707 662623946 /nfs/dbraw/zinc/62/39/46/662623946.db2.gz XBPCFJQGRPKBDK-GXSJLCMTSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979395323 662624385 /nfs/dbraw/zinc/62/43/85/662624385.db2.gz LWAHXIFETAJZKB-IUCAKERBSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979392538 662624453 /nfs/dbraw/zinc/62/44/53/662624453.db2.gz DLFSYJPMKGBTCF-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398909 662624473 /nfs/dbraw/zinc/62/44/73/662624473.db2.gz SJLBSAKRHUKJIT-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO Cn1nnc(CN2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001027805631 662624870 /nfs/dbraw/zinc/62/48/70/662624870.db2.gz WNJYAAQMVMQMBZ-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001027805631 662624872 /nfs/dbraw/zinc/62/48/72/662624872.db2.gz WNJYAAQMVMQMBZ-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001027805629 662625069 /nfs/dbraw/zinc/62/50/69/662625069.db2.gz WNJYAAQMVMQMBZ-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001027805629 662625070 /nfs/dbraw/zinc/62/50/70/662625070.db2.gz WNJYAAQMVMQMBZ-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979520658 662625550 /nfs/dbraw/zinc/62/55/50/662625550.db2.gz RZZTXWDQUDSKAA-DCAQKATOSA-N 1 1 307.358 -1.625 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000979564071 662625928 /nfs/dbraw/zinc/62/59/28/662625928.db2.gz CKELMZMGHVFQOM-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000979582373 662626142 /nfs/dbraw/zinc/62/61/42/662626142.db2.gz QZLFGMNRIJXMFO-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC000979669298 662626645 /nfs/dbraw/zinc/62/66/45/662626645.db2.gz LJTXYCXBQLHEIY-GARJFASQSA-N 1 1 322.369 -1.314 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020732 662627169 /nfs/dbraw/zinc/62/71/69/662627169.db2.gz KLBRUUOVPKNXDC-ZJUUUORDSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020732 662627172 /nfs/dbraw/zinc/62/71/72/662627172.db2.gz KLBRUUOVPKNXDC-ZJUUUORDSA-N 1 1 309.322 -1.130 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3nccn3)C[C@H]2C1 ZINC000979763054 662627642 /nfs/dbraw/zinc/62/76/42/662627642.db2.gz QDQSVOIIXOOTMR-SDDRHHMPSA-N 1 1 306.370 -1.020 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nccn3)C[C@H]2C1 ZINC000979763057 662627719 /nfs/dbraw/zinc/62/77/19/662627719.db2.gz QDQSVOIIXOOTMR-SRVKXCTJSA-N 1 1 306.370 -1.020 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001027835095 662627945 /nfs/dbraw/zinc/62/79/45/662627945.db2.gz REUSODMBBMDNJI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001027835095 662627946 /nfs/dbraw/zinc/62/79/46/662627946.db2.gz REUSODMBBMDNJI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000979886409 662628954 /nfs/dbraw/zinc/62/89/54/662628954.db2.gz OUQRAWUFYOYCDV-DCAQKATOSA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000979886409 662628958 /nfs/dbraw/zinc/62/89/58/662628958.db2.gz OUQRAWUFYOYCDV-DCAQKATOSA-N 1 1 312.370 -1.797 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)C1 ZINC001027848476 662628970 /nfs/dbraw/zinc/62/89/70/662628970.db2.gz UMRXTXVWSUJVEX-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)C1 ZINC001027848476 662628975 /nfs/dbraw/zinc/62/89/75/662628975.db2.gz UMRXTXVWSUJVEX-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000979899915 662629206 /nfs/dbraw/zinc/62/92/06/662629206.db2.gz BJABMEZCUUUBBC-FIQHERPVSA-N 1 1 324.381 -1.654 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1COC(=O)N1 ZINC001027861533 662631157 /nfs/dbraw/zinc/63/11/57/662631157.db2.gz XWCPBCOAGYZEQW-QWRGUYRKSA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)nn1 ZINC001027862916 662631350 /nfs/dbraw/zinc/63/13/50/662631350.db2.gz ZNMKVJCKDFIKBD-MWLCHTKSSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)nn1 ZINC001027862916 662631351 /nfs/dbraw/zinc/63/13/51/662631351.db2.gz ZNMKVJCKDFIKBD-MWLCHTKSSA-N 1 1 320.353 -1.186 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077403 662631930 /nfs/dbraw/zinc/63/19/30/662631930.db2.gz HKETVKHRFGIWSS-NWDGAFQWSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077403 662631931 /nfs/dbraw/zinc/63/19/31/662631931.db2.gz HKETVKHRFGIWSS-NWDGAFQWSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC000980155945 662633386 /nfs/dbraw/zinc/63/33/86/662633386.db2.gz VDZDVVIHMFDJCO-AXFHLTTASA-N 1 1 321.385 -1.214 20 0 DAADMO Cn1[nH]c(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)C(N)=O)C[C@@H]3C2)nc1=O ZINC000980186117 662633725 /nfs/dbraw/zinc/63/37/25/662633725.db2.gz NODUNCYZLBGXFW-IVZWLZJFSA-N 1 1 322.369 -1.690 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cncn3)C[C@@H]2C1 ZINC000980239202 662634506 /nfs/dbraw/zinc/63/45/06/662634506.db2.gz YKTFDIOKUFTYAZ-QJPTWQEYSA-N 1 1 306.370 -1.020 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263740 662634696 /nfs/dbraw/zinc/63/46/96/662634696.db2.gz LIWQPMVBVLEGBQ-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC001010129496 662634977 /nfs/dbraw/zinc/63/49/77/662634977.db2.gz XJSVXABNOGCHJU-LLVKDONJSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)cn1 ZINC001010129496 662634979 /nfs/dbraw/zinc/63/49/79/662634979.db2.gz XJSVXABNOGCHJU-LLVKDONJSA-N 1 1 320.353 -1.224 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C2)c(=O)n1C ZINC000980293245 662635156 /nfs/dbraw/zinc/63/51/56/662635156.db2.gz ATHVXVWOLYDINI-ONGXEEELSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000980332714 662635282 /nfs/dbraw/zinc/63/52/82/662635282.db2.gz GXXYIYARKOEGSA-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)ccc1=O ZINC000980333327 662635449 /nfs/dbraw/zinc/63/54/49/662635449.db2.gz MQXSTKRXBMQEHJ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2cncn2)C1)[C@H]1CCC(=O)NC1=O ZINC000980340244 662635479 /nfs/dbraw/zinc/63/54/79/662635479.db2.gz ZAMVUJPCOPHWLN-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980300138 662635499 /nfs/dbraw/zinc/63/54/99/662635499.db2.gz NPVFSEVJVKVUCL-NWDGAFQWSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980300138 662635500 /nfs/dbraw/zinc/63/55/00/662635500.db2.gz NPVFSEVJVKVUCL-NWDGAFQWSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346855 662635867 /nfs/dbraw/zinc/63/58/67/662635867.db2.gz RYZLJDOOUVQSOH-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000980349393 662635930 /nfs/dbraw/zinc/63/59/30/662635930.db2.gz IFZTVXZIVMJYCI-DTWKUNHWSA-N 1 1 320.353 -1.404 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000980346857 662635944 /nfs/dbraw/zinc/63/59/44/662635944.db2.gz RYZLJDOOUVQSOH-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC000980387655 662636159 /nfs/dbraw/zinc/63/61/59/662636159.db2.gz WOULYPUPJAAVIV-MRVPVSSYSA-N 1 1 309.326 -1.883 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC000980387655 662636160 /nfs/dbraw/zinc/63/61/60/662636160.db2.gz WOULYPUPJAAVIV-MRVPVSSYSA-N 1 1 309.326 -1.883 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC000980387656 662636215 /nfs/dbraw/zinc/63/62/15/662636215.db2.gz WOULYPUPJAAVIV-QMMMGPOBSA-N 1 1 309.326 -1.883 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC000980387656 662636216 /nfs/dbraw/zinc/63/62/16/662636216.db2.gz WOULYPUPJAAVIV-QMMMGPOBSA-N 1 1 309.326 -1.883 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000980357471 662636220 /nfs/dbraw/zinc/63/62/20/662636220.db2.gz AEGFJEGVKFXCLF-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000980355269 662636238 /nfs/dbraw/zinc/63/62/38/662636238.db2.gz PHZMDXVKJOGQAN-KKOKHZNYSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483329 662636629 /nfs/dbraw/zinc/63/66/29/662636629.db2.gz NGXUPSLHBPOXRW-QMMMGPOBSA-N 1 1 309.330 -2.605 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483329 662636630 /nfs/dbraw/zinc/63/66/30/662636630.db2.gz NGXUPSLHBPOXRW-QMMMGPOBSA-N 1 1 309.330 -2.605 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483364 662636855 /nfs/dbraw/zinc/63/68/55/662636855.db2.gz OJJZECCOXNDHQG-BDAKNGLRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC000980453876 662636880 /nfs/dbraw/zinc/63/68/80/662636880.db2.gz GHHNXPBKXGDEQV-SECBINFHSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC000980453876 662636881 /nfs/dbraw/zinc/63/68/81/662636881.db2.gz GHHNXPBKXGDEQV-SECBINFHSA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC000980502326 662637202 /nfs/dbraw/zinc/63/72/02/662637202.db2.gz GYRNGHGFSAEVJH-UWVGGRQHSA-N 1 1 309.370 -1.256 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)cc1=O ZINC001027942815 662637247 /nfs/dbraw/zinc/63/72/47/662637247.db2.gz HMPMTFXQXGZRTC-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCNC2=O)cc1=O ZINC001027942815 662637248 /nfs/dbraw/zinc/63/72/48/662637248.db2.gz HMPMTFXQXGZRTC-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1nccn1 ZINC000980594374 662637468 /nfs/dbraw/zinc/63/74/68/662637468.db2.gz IQGIEDDEXADCLU-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000980572803 662637514 /nfs/dbraw/zinc/63/75/14/662637514.db2.gz QSSJTADOGGSNRH-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000980572803 662637515 /nfs/dbraw/zinc/63/75/15/662637515.db2.gz QSSJTADOGGSNRH-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000980580829 662637594 /nfs/dbraw/zinc/63/75/94/662637594.db2.gz FACRZJOOJHMACE-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1nccn1 ZINC000980594375 662637616 /nfs/dbraw/zinc/63/76/16/662637616.db2.gz IQGIEDDEXADCLU-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1nccn1 ZINC000980594376 662637675 /nfs/dbraw/zinc/63/76/75/662637675.db2.gz IQGIEDDEXADCLU-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000980673580 662637783 /nfs/dbraw/zinc/63/77/83/662637783.db2.gz GVVRHVPXADDSPH-RKDXNWHRSA-N 1 1 320.361 -1.626 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010199549 662637945 /nfs/dbraw/zinc/63/79/45/662637945.db2.gz YSYBLCIKXLLYMI-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010199549 662637946 /nfs/dbraw/zinc/63/79/46/662637946.db2.gz YSYBLCIKXLLYMI-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679413 662638010 /nfs/dbraw/zinc/63/80/10/662638010.db2.gz NEJKEOOFSJQYRB-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679413 662638011 /nfs/dbraw/zinc/63/80/11/662638011.db2.gz NEJKEOOFSJQYRB-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnn(C)n1 ZINC000980719715 662638214 /nfs/dbraw/zinc/63/82/14/662638214.db2.gz VCVUTTSJKLKJTM-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980685528 662638284 /nfs/dbraw/zinc/63/82/84/662638284.db2.gz WHBRXGOEZDXUTK-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980685528 662638285 /nfs/dbraw/zinc/63/82/85/662638285.db2.gz WHBRXGOEZDXUTK-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nc[nH]n1 ZINC000980724585 662638292 /nfs/dbraw/zinc/63/82/92/662638292.db2.gz PDRHAMSIGFTKFX-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C(N)=O ZINC000980687097 662638377 /nfs/dbraw/zinc/63/83/77/662638377.db2.gz MPLNTMVNVJCJEE-RKDXNWHRSA-N 1 1 310.358 -1.053 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnn(C)n1 ZINC000980719717 662638429 /nfs/dbraw/zinc/63/84/29/662638429.db2.gz VCVUTTSJKLKJTM-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027977995 662639039 /nfs/dbraw/zinc/63/90/39/662639039.db2.gz DZIIAXXTLIRTMR-UWVGGRQHSA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027977995 662639041 /nfs/dbraw/zinc/63/90/41/662639041.db2.gz DZIIAXXTLIRTMR-UWVGGRQHSA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cncn1 ZINC000980792313 662639097 /nfs/dbraw/zinc/63/90/97/662639097.db2.gz KZWSPKHDENAIDM-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000980898003 662640245 /nfs/dbraw/zinc/64/02/45/662640245.db2.gz GNEKGZXDWKYKAZ-UWVGGRQHSA-N 1 1 320.361 -1.586 20 0 DAADMO Cn1nnnc1CN1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980894296 662640365 /nfs/dbraw/zinc/64/03/65/662640365.db2.gz VTBJIKYDRYGQAP-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnnc1CN1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894296 662640366 /nfs/dbraw/zinc/64/03/66/662640366.db2.gz VTBJIKYDRYGQAP-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001028009967 662640751 /nfs/dbraw/zinc/64/07/51/662640751.db2.gz QSTAWUKRJWLTKI-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001028009967 662640753 /nfs/dbraw/zinc/64/07/53/662640753.db2.gz QSTAWUKRJWLTKI-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981005748 662640826 /nfs/dbraw/zinc/64/08/26/662640826.db2.gz GPABZPTYGPPBDS-SNVBAGLBSA-N 1 1 308.342 -1.594 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981005748 662640828 /nfs/dbraw/zinc/64/08/28/662640828.db2.gz GPABZPTYGPPBDS-SNVBAGLBSA-N 1 1 308.342 -1.594 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015943 662640851 /nfs/dbraw/zinc/64/08/51/662640851.db2.gz NTRZXVMGILSYTI-NSHDSACASA-N 1 1 324.385 -1.005 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015943 662640853 /nfs/dbraw/zinc/64/08/53/662640853.db2.gz NTRZXVMGILSYTI-NSHDSACASA-N 1 1 324.385 -1.005 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000950064003 662641125 /nfs/dbraw/zinc/64/11/25/662641125.db2.gz HPQHCUFLALNNBH-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)C1=O ZINC000981059809 662641219 /nfs/dbraw/zinc/64/12/19/662641219.db2.gz LYLMCIWIIFXCKL-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)C1=O ZINC000981059809 662641221 /nfs/dbraw/zinc/64/12/21/662641221.db2.gz LYLMCIWIIFXCKL-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000981092332 662641244 /nfs/dbraw/zinc/64/12/44/662641244.db2.gz WHDNBBHAXMRATI-AXFHLTTASA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000981092332 662641245 /nfs/dbraw/zinc/64/12/45/662641245.db2.gz WHDNBBHAXMRATI-AXFHLTTASA-N 1 1 312.370 -1.797 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)C1=O ZINC000981059808 662641351 /nfs/dbraw/zinc/64/13/51/662641351.db2.gz LYLMCIWIIFXCKL-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)C1=O ZINC000981059808 662641352 /nfs/dbraw/zinc/64/13/52/662641352.db2.gz LYLMCIWIIFXCKL-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000981092673 662641685 /nfs/dbraw/zinc/64/16/85/662641685.db2.gz XFWAKFOJNVOOGH-ZJUUUORDSA-N 1 1 320.361 -1.586 20 0 DAADMO CN(C(=O)C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1)C1CC1 ZINC000981171798 662641936 /nfs/dbraw/zinc/64/19/36/662641936.db2.gz RFRKMTYNSLEBNA-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1)C1CC1 ZINC000981171798 662641937 /nfs/dbraw/zinc/64/19/37/662641937.db2.gz RFRKMTYNSLEBNA-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037901 662641944 /nfs/dbraw/zinc/64/19/44/662641944.db2.gz KITZMJZNZDAKGE-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001028037901 662641945 /nfs/dbraw/zinc/64/19/45/662641945.db2.gz KITZMJZNZDAKGE-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981174107 662641964 /nfs/dbraw/zinc/64/19/64/662641964.db2.gz OKERSVMAJIBOBV-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981174107 662641965 /nfs/dbraw/zinc/64/19/65/662641965.db2.gz OKERSVMAJIBOBV-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981173256 662642014 /nfs/dbraw/zinc/64/20/14/662642014.db2.gz DZPPYNGFYZOJFY-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981173256 662642015 /nfs/dbraw/zinc/64/20/15/662642015.db2.gz DZPPYNGFYZOJFY-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981173259 662642093 /nfs/dbraw/zinc/64/20/93/662642093.db2.gz DZPPYNGFYZOJFY-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981173259 662642094 /nfs/dbraw/zinc/64/20/94/662642094.db2.gz DZPPYNGFYZOJFY-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197788 662642313 /nfs/dbraw/zinc/64/23/13/662642313.db2.gz PBAMWCWXIODBIO-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001028073351 662643054 /nfs/dbraw/zinc/64/30/54/662643054.db2.gz SIHXBWNRPGGVTD-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001028073351 662643056 /nfs/dbraw/zinc/64/30/56/662643056.db2.gz SIHXBWNRPGGVTD-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001028073962 662643247 /nfs/dbraw/zinc/64/32/47/662643247.db2.gz ZMTPTLFLCADMTN-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001028073962 662643249 /nfs/dbraw/zinc/64/32/49/662643249.db2.gz ZMTPTLFLCADMTN-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1CCNC1=O ZINC001028071327 662643313 /nfs/dbraw/zinc/64/33/13/662643313.db2.gz BEJIGHKJIHKZRD-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076664 662643717 /nfs/dbraw/zinc/64/37/17/662643717.db2.gz UOCNYSYQYIUNRL-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076664 662643718 /nfs/dbraw/zinc/64/37/18/662643718.db2.gz UOCNYSYQYIUNRL-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076663 662643754 /nfs/dbraw/zinc/64/37/54/662643754.db2.gz UOCNYSYQYIUNRL-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076663 662643755 /nfs/dbraw/zinc/64/37/55/662643755.db2.gz UOCNYSYQYIUNRL-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000981282193 662643803 /nfs/dbraw/zinc/64/38/03/662643803.db2.gz AEXQXDBSVRGAPH-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)n1 ZINC001028079986 662644216 /nfs/dbraw/zinc/64/42/16/662644216.db2.gz ADNFQOWILNRPGD-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCN(C)C2=O)n1 ZINC001028079986 662644219 /nfs/dbraw/zinc/64/42/19/662644219.db2.gz ADNFQOWILNRPGD-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981321405 662644295 /nfs/dbraw/zinc/64/42/95/662644295.db2.gz BIIYLRMRUPQATH-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981321405 662644298 /nfs/dbraw/zinc/64/42/98/662644298.db2.gz BIIYLRMRUPQATH-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981344767 662644354 /nfs/dbraw/zinc/64/43/54/662644354.db2.gz GHVJZABCPSPRMF-LBPRGKRZSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981344767 662644355 /nfs/dbraw/zinc/64/43/55/662644355.db2.gz GHVJZABCPSPRMF-LBPRGKRZSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981390459 662644525 /nfs/dbraw/zinc/64/45/25/662644525.db2.gz GFADELBGENVECH-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981390459 662644527 /nfs/dbraw/zinc/64/45/27/662644527.db2.gz GFADELBGENVECH-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504133 662644933 /nfs/dbraw/zinc/64/49/33/662644933.db2.gz VXVFZIMESXGJDZ-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504133 662644934 /nfs/dbraw/zinc/64/49/34/662644934.db2.gz VXVFZIMESXGJDZ-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnsn1 ZINC001010328461 662644937 /nfs/dbraw/zinc/64/49/37/662644937.db2.gz IEGGCYVLZMTBNH-QMMMGPOBSA-N 1 1 324.366 -1.106 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnsn1 ZINC001010328461 662644938 /nfs/dbraw/zinc/64/49/38/662644938.db2.gz IEGGCYVLZMTBNH-QMMMGPOBSA-N 1 1 324.366 -1.106 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504012 662644967 /nfs/dbraw/zinc/64/49/67/662644967.db2.gz VIPGGOAQLIQTJH-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981504012 662644968 /nfs/dbraw/zinc/64/49/68/662644968.db2.gz VIPGGOAQLIQTJH-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)CC2 ZINC001028099680 662645262 /nfs/dbraw/zinc/64/52/62/662645262.db2.gz VHGMEWMCUGJTOO-QWRGUYRKSA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)CC2 ZINC001028099680 662645263 /nfs/dbraw/zinc/64/52/63/662645263.db2.gz VHGMEWMCUGJTOO-QWRGUYRKSA-N 1 1 320.397 -1.014 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981532735 662645293 /nfs/dbraw/zinc/64/52/93/662645293.db2.gz DBYHJTGKMXCJOD-UHFFFAOYSA-N 1 1 321.341 -1.496 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC000981532735 662645294 /nfs/dbraw/zinc/64/52/94/662645294.db2.gz DBYHJTGKMXCJOD-UHFFFAOYSA-N 1 1 321.341 -1.496 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000981566944 662645413 /nfs/dbraw/zinc/64/54/13/662645413.db2.gz PWEKFJKHNXNKFX-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981612258 662645563 /nfs/dbraw/zinc/64/55/63/662645563.db2.gz PVLXFLCIRJIGCS-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001028111334 662646214 /nfs/dbraw/zinc/64/62/14/662646214.db2.gz WVRYOIMMJZGITO-WDEREUQCSA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000981672774 662646313 /nfs/dbraw/zinc/64/63/13/662646313.db2.gz BFAYXOYLJFBKPV-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742252 662646561 /nfs/dbraw/zinc/64/65/61/662646561.db2.gz JMRHOVZULYRXBC-UWVGGRQHSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742252 662646563 /nfs/dbraw/zinc/64/65/63/662646563.db2.gz JMRHOVZULYRXBC-UWVGGRQHSA-N 1 1 310.354 -1.107 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000981742894 662646661 /nfs/dbraw/zinc/64/66/61/662646661.db2.gz MAJOUZRRXDFLNM-AWEZNQCLSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000981726385 662646824 /nfs/dbraw/zinc/64/68/24/662646824.db2.gz MTMOPGVBHXIJRH-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000981726385 662646826 /nfs/dbraw/zinc/64/68/26/662646826.db2.gz MTMOPGVBHXIJRH-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725098 662646840 /nfs/dbraw/zinc/64/68/40/662646840.db2.gz IGNLYTVAIVFQAF-JTQLQIEISA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725098 662646841 /nfs/dbraw/zinc/64/68/41/662646841.db2.gz IGNLYTVAIVFQAF-JTQLQIEISA-N 1 1 322.369 -1.218 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@@H+](CCn3cncn3)CC2)NC1=O ZINC000981751723 662647090 /nfs/dbraw/zinc/64/70/90/662647090.db2.gz WGGFISVYHXECPX-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981749421 662647096 /nfs/dbraw/zinc/64/70/96/662647096.db2.gz AQOMASADCFJHPC-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981749421 662647097 /nfs/dbraw/zinc/64/70/97/662647097.db2.gz AQOMASADCFJHPC-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981749423 662647258 /nfs/dbraw/zinc/64/72/58/662647258.db2.gz AQOMASADCFJHPC-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981749423 662647259 /nfs/dbraw/zinc/64/72/59/662647259.db2.gz AQOMASADCFJHPC-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@H+](CCn3cncn3)CC2)n1 ZINC000981777394 662647289 /nfs/dbraw/zinc/64/72/89/662647289.db2.gz FTVAAZSKKPBEED-UHFFFAOYSA-N 1 1 305.346 -1.350 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@@H+](CCn3cncn3)CC2)n1 ZINC000981777394 662647291 /nfs/dbraw/zinc/64/72/91/662647291.db2.gz FTVAAZSKKPBEED-UHFFFAOYSA-N 1 1 305.346 -1.350 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CC1=O ZINC000981800253 662647425 /nfs/dbraw/zinc/64/74/25/662647425.db2.gz FUGXMHGQJCMYRC-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CC1=O ZINC000981800253 662647426 /nfs/dbraw/zinc/64/74/26/662647426.db2.gz FUGXMHGQJCMYRC-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)C1=O ZINC000981790336 662647435 /nfs/dbraw/zinc/64/74/35/662647435.db2.gz RSHMUKJLSVVUAB-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)C1=O ZINC000981790336 662647436 /nfs/dbraw/zinc/64/74/36/662647436.db2.gz RSHMUKJLSVVUAB-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981850579 662648006 /nfs/dbraw/zinc/64/80/06/662648006.db2.gz MLEXTLVNQOOFTF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981850579 662648007 /nfs/dbraw/zinc/64/80/07/662648007.db2.gz MLEXTLVNQOOFTF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981850578 662648202 /nfs/dbraw/zinc/64/82/02/662648202.db2.gz MLEXTLVNQOOFTF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981850578 662648204 /nfs/dbraw/zinc/64/82/04/662648204.db2.gz MLEXTLVNQOOFTF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981852866 662648426 /nfs/dbraw/zinc/64/84/26/662648426.db2.gz IVKUTCNHNVXKIL-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000981852866 662648427 /nfs/dbraw/zinc/64/84/27/662648427.db2.gz IVKUTCNHNVXKIL-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981850426 662648454 /nfs/dbraw/zinc/64/84/54/662648454.db2.gz HLJMGMWQRGXFOM-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981850426 662648455 /nfs/dbraw/zinc/64/84/55/662648455.db2.gz HLJMGMWQRGXFOM-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852773 662648470 /nfs/dbraw/zinc/64/84/70/662648470.db2.gz GQZFVAGFNHCRIF-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852773 662648471 /nfs/dbraw/zinc/64/84/71/662648471.db2.gz GQZFVAGFNHCRIF-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981853468 662648687 /nfs/dbraw/zinc/64/86/87/662648687.db2.gz QLJOLRJEJFGHRN-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981853468 662648691 /nfs/dbraw/zinc/64/86/91/662648691.db2.gz QLJOLRJEJFGHRN-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981852550 662648735 /nfs/dbraw/zinc/64/87/35/662648735.db2.gz DDCFDKRIJVZLEI-LLVKDONJSA-N 1 1 307.358 -1.506 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981850427 662648738 /nfs/dbraw/zinc/64/87/38/662648738.db2.gz HLJMGMWQRGXFOM-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981850427 662648739 /nfs/dbraw/zinc/64/87/39/662648739.db2.gz HLJMGMWQRGXFOM-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000981865208 662649084 /nfs/dbraw/zinc/64/90/84/662649084.db2.gz OQCLQKUZTBVNTN-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000981865208 662649085 /nfs/dbraw/zinc/64/90/85/662649085.db2.gz OQCLQKUZTBVNTN-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946522 662650559 /nfs/dbraw/zinc/65/05/59/662650559.db2.gz GUTRTMRDMXKDGJ-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946522 662650560 /nfs/dbraw/zinc/65/05/60/662650560.db2.gz GUTRTMRDMXKDGJ-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975495 662650668 /nfs/dbraw/zinc/65/06/68/662650668.db2.gz VEZZFLJERYNMAF-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975495 662650670 /nfs/dbraw/zinc/65/06/70/662650670.db2.gz VEZZFLJERYNMAF-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)S1(=O)=O ZINC001028197035 662651266 /nfs/dbraw/zinc/65/12/66/662651266.db2.gz WCPMPYZPPLPQAN-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975496 662650821 /nfs/dbraw/zinc/65/08/21/662650821.db2.gz VEZZFLJERYNMAF-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975496 662650822 /nfs/dbraw/zinc/65/08/22/662650822.db2.gz VEZZFLJERYNMAF-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975386 662650918 /nfs/dbraw/zinc/65/09/18/662650918.db2.gz QKIZTTJQRZMMSN-UWVGGRQHSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975386 662650920 /nfs/dbraw/zinc/65/09/20/662650920.db2.gz QKIZTTJQRZMMSN-UWVGGRQHSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC000981971777 662650940 /nfs/dbraw/zinc/65/09/40/662650940.db2.gz CFFTYRAYIUBDIT-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC000981971777 662650942 /nfs/dbraw/zinc/65/09/42/662650942.db2.gz CFFTYRAYIUBDIT-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975240 662650959 /nfs/dbraw/zinc/65/09/59/662650959.db2.gz NEAJSDUABQCBEO-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981972587 662650964 /nfs/dbraw/zinc/65/09/64/662650964.db2.gz WENUCGJUKFIQNC-OUAUKWLOSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981972587 662650965 /nfs/dbraw/zinc/65/09/65/662650965.db2.gz WENUCGJUKFIQNC-OUAUKWLOSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCO)C1CC2(C1)NC(=O)NC2=O ZINC001028197068 662651184 /nfs/dbraw/zinc/65/11/84/662651184.db2.gz XCYUNFWULMCCGW-XIRUVYRFSA-N 1 1 310.354 -1.453 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)S1(=O)=O ZINC001028197037 662651230 /nfs/dbraw/zinc/65/12/30/662651230.db2.gz WCPMPYZPPLPQAN-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201325 662651656 /nfs/dbraw/zinc/65/16/56/662651656.db2.gz DSJMYLYRBWQASH-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201325 662651657 /nfs/dbraw/zinc/65/16/57/662651657.db2.gz DSJMYLYRBWQASH-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)ccc1=O ZINC001028209757 662651750 /nfs/dbraw/zinc/65/17/50/662651750.db2.gz OJSPAQWJUIBWGP-SNVBAGLBSA-N 1 1 307.354 -1.057 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)ccc1=O ZINC001028209757 662651751 /nfs/dbraw/zinc/65/17/51/662651751.db2.gz OJSPAQWJUIBWGP-SNVBAGLBSA-N 1 1 307.354 -1.057 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201323 662651782 /nfs/dbraw/zinc/65/17/82/662651782.db2.gz DSJMYLYRBWQASH-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201323 662651784 /nfs/dbraw/zinc/65/17/84/662651784.db2.gz DSJMYLYRBWQASH-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982073056 662652035 /nfs/dbraw/zinc/65/20/35/662652035.db2.gz DANYRHXWSGQCDB-UHFFFAOYSA-N 1 1 310.354 -1.545 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083337 662652382 /nfs/dbraw/zinc/65/23/82/662652382.db2.gz JBMWIPFCMZDBHP-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC000982083337 662652383 /nfs/dbraw/zinc/65/23/83/662652383.db2.gz JBMWIPFCMZDBHP-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982141443 662652537 /nfs/dbraw/zinc/65/25/37/662652537.db2.gz FUQWFDRIXJPZLV-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC000982141122 662652552 /nfs/dbraw/zinc/65/25/52/662652552.db2.gz OLLAUFUHKFCJLW-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC000982141122 662652555 /nfs/dbraw/zinc/65/25/55/662652555.db2.gz OLLAUFUHKFCJLW-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000982166095 662652578 /nfs/dbraw/zinc/65/25/78/662652578.db2.gz ZDJIYWBBXVRVJF-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1=O ZINC000982113552 662652659 /nfs/dbraw/zinc/65/26/59/662652659.db2.gz OKSORSWYFKBTPX-UHFFFAOYSA-N 1 1 324.381 -1.203 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@@H+](CCCO)CC2)S1(=O)=O ZINC000982165423 662652714 /nfs/dbraw/zinc/65/27/14/662652714.db2.gz FLTXSVMMURYQDA-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)nn1 ZINC000982163644 662652760 /nfs/dbraw/zinc/65/27/60/662652760.db2.gz LRURNVPTROGIEV-UHFFFAOYSA-N 1 1 322.369 -1.706 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)S1(=O)=O ZINC000982165418 662652816 /nfs/dbraw/zinc/65/28/16/662652816.db2.gz FGEDKVVGAHNQSU-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC000982165418 662652818 /nfs/dbraw/zinc/65/28/18/662652818.db2.gz FGEDKVVGAHNQSU-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982197001 662653022 /nfs/dbraw/zinc/65/30/22/662653022.db2.gz JTIRGNBVGGGKJI-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982197001 662653024 /nfs/dbraw/zinc/65/30/24/662653024.db2.gz JTIRGNBVGGGKJI-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982235139 662653198 /nfs/dbraw/zinc/65/31/98/662653198.db2.gz IWFHEIILMOJXLK-KMUNFCNLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982235139 662653200 /nfs/dbraw/zinc/65/32/00/662653200.db2.gz IWFHEIILMOJXLK-KMUNFCNLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCNC1=O)CCO2 ZINC000949154166 662653652 /nfs/dbraw/zinc/65/36/52/662653652.db2.gz RLQMMAXLDSBSED-NSHDSACASA-N 1 1 324.381 -1.699 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261542 662656344 /nfs/dbraw/zinc/65/63/44/662656344.db2.gz ZWRYZSIJKBGPPN-UWVGGRQHSA-N 1 1 320.353 -1.007 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001028272522 662656626 /nfs/dbraw/zinc/65/66/26/662656626.db2.gz DWNOXTRJPFCBNP-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425300 662657954 /nfs/dbraw/zinc/65/79/54/662657954.db2.gz CNXHHLZMCCBCOY-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425300 662657955 /nfs/dbraw/zinc/65/79/55/662657955.db2.gz CNXHHLZMCCBCOY-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1ncnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426359 662658036 /nfs/dbraw/zinc/65/80/36/662658036.db2.gz HLECPLZYOFKYFZ-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426359 662658037 /nfs/dbraw/zinc/65/80/37/662658037.db2.gz HLECPLZYOFKYFZ-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426353 662658040 /nfs/dbraw/zinc/65/80/40/662658040.db2.gz HLECPLZYOFKYFZ-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426353 662658042 /nfs/dbraw/zinc/65/80/42/662658042.db2.gz HLECPLZYOFKYFZ-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)NC1=O ZINC000982428314 662658401 /nfs/dbraw/zinc/65/84/01/662658401.db2.gz GXETWDQPPJNZFJ-NZVBXONLSA-N 1 1 323.397 -1.334 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)NC1=O ZINC000982428314 662658404 /nfs/dbraw/zinc/65/84/04/662658404.db2.gz GXETWDQPPJNZFJ-NZVBXONLSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000982433263 662659768 /nfs/dbraw/zinc/65/97/68/662659768.db2.gz WEBROQBAECWYLD-NWDGAFQWSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452546 662659899 /nfs/dbraw/zinc/65/98/99/662659899.db2.gz KFGOQCCPXGRUNQ-QCZZGDTMSA-N 1 1 321.385 -1.132 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452546 662659901 /nfs/dbraw/zinc/65/99/01/662659901.db2.gz KFGOQCCPXGRUNQ-QCZZGDTMSA-N 1 1 321.385 -1.132 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936906890 662660111 /nfs/dbraw/zinc/66/01/11/662660111.db2.gz WFKHJOBASQPUID-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936906892 662660211 /nfs/dbraw/zinc/66/02/11/662660211.db2.gz WFKHJOBASQPUID-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301846 662665280 /nfs/dbraw/zinc/66/52/80/662665280.db2.gz JUCXLUIMIZIEEU-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001028301846 662665282 /nfs/dbraw/zinc/66/52/82/662665282.db2.gz JUCXLUIMIZIEEU-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001028311996 662666722 /nfs/dbraw/zinc/66/67/22/662666722.db2.gz AFAGTMMWCHZCHL-QMMMGPOBSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001028311996 662666724 /nfs/dbraw/zinc/66/67/24/662666724.db2.gz AFAGTMMWCHZCHL-QMMMGPOBSA-N 1 1 309.326 -1.835 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001028327188 662667420 /nfs/dbraw/zinc/66/74/20/662667420.db2.gz WOAJMTRYNZGSDD-RYUDHWBXSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001028327188 662667424 /nfs/dbraw/zinc/66/74/24/662667424.db2.gz WOAJMTRYNZGSDD-RYUDHWBXSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326098 662667439 /nfs/dbraw/zinc/66/74/39/662667439.db2.gz PPWZCOLHCPJLAT-IUCAKERBSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326098 662667440 /nfs/dbraw/zinc/66/74/40/662667440.db2.gz PPWZCOLHCPJLAT-IUCAKERBSA-N 1 1 304.372 -2.256 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326574 662667457 /nfs/dbraw/zinc/66/74/57/662667457.db2.gz VZHBHMKBQIOQLR-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326574 662667458 /nfs/dbraw/zinc/66/74/58/662667458.db2.gz VZHBHMKBQIOQLR-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326576 662667465 /nfs/dbraw/zinc/66/74/65/662667465.db2.gz VZHBHMKBQIOQLR-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326576 662667466 /nfs/dbraw/zinc/66/74/66/662667466.db2.gz VZHBHMKBQIOQLR-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001028333079 662668319 /nfs/dbraw/zinc/66/83/19/662668319.db2.gz CPCOLAQICHRWGJ-MNOVXSKESA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001028333079 662668323 /nfs/dbraw/zinc/66/83/23/662668323.db2.gz CPCOLAQICHRWGJ-MNOVXSKESA-N 1 1 306.370 -1.094 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334659 662668667 /nfs/dbraw/zinc/66/86/67/662668667.db2.gz FUEHNJOGVFJCLG-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334913 662668687 /nfs/dbraw/zinc/66/86/87/662668687.db2.gz KNORDVAPJUQXLI-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCO)nn1 ZINC001028335909 662668765 /nfs/dbraw/zinc/66/87/65/662668765.db2.gz HLFMSDFZRSYVBD-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)nn1 ZINC001028334760 662668861 /nfs/dbraw/zinc/66/88/61/662668861.db2.gz HUHFGEWOFMKSMT-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCNC2=O)n(C)c1=O ZINC001028339147 662669376 /nfs/dbraw/zinc/66/93/76/662669376.db2.gz PFZQNRNLBRUYBH-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCNC2=O)n(C)c1=O ZINC001028339147 662669378 /nfs/dbraw/zinc/66/93/78/662669378.db2.gz PFZQNRNLBRUYBH-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001028349743 662669783 /nfs/dbraw/zinc/66/97/83/662669783.db2.gz SUWHNSRZYMCUDP-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001028349743 662669784 /nfs/dbraw/zinc/66/97/84/662669784.db2.gz SUWHNSRZYMCUDP-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001028349744 662669816 /nfs/dbraw/zinc/66/98/16/662669816.db2.gz SUWHNSRZYMCUDP-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001028349744 662669818 /nfs/dbraw/zinc/66/98/18/662669818.db2.gz SUWHNSRZYMCUDP-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001028356756 662670288 /nfs/dbraw/zinc/67/02/88/662670288.db2.gz QDGSUHZJKMNBSH-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001028356756 662670289 /nfs/dbraw/zinc/67/02/89/662670289.db2.gz QDGSUHZJKMNBSH-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982497267 662670813 /nfs/dbraw/zinc/67/08/13/662670813.db2.gz QFXWGRWADVQIKU-FZQKWOKYSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982497267 662670815 /nfs/dbraw/zinc/67/08/15/662670815.db2.gz QFXWGRWADVQIKU-FZQKWOKYSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982497278 662670937 /nfs/dbraw/zinc/67/09/37/662670937.db2.gz QJGMYRZRSLJRFZ-IDMWTJEOSA-N 1 1 323.397 -1.288 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420757 662671582 /nfs/dbraw/zinc/67/15/82/662671582.db2.gz OMLCNJIPPHCBFR-RYUDHWBXSA-N 1 1 320.411 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420757 662671583 /nfs/dbraw/zinc/67/15/83/662671583.db2.gz OMLCNJIPPHCBFR-RYUDHWBXSA-N 1 1 320.411 -1.116 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982504494 662671609 /nfs/dbraw/zinc/67/16/09/662671609.db2.gz WVUZKNFRYAFJEA-KMUNFCNLSA-N 1 1 308.382 -1.079 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028449259 662671839 /nfs/dbraw/zinc/67/18/39/662671839.db2.gz YJFXHWXBKPFDSN-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028449259 662671841 /nfs/dbraw/zinc/67/18/41/662671841.db2.gz YJFXHWXBKPFDSN-WDEREUQCSA-N 1 1 317.411 -1.252 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)N1 ZINC001028443105 662672115 /nfs/dbraw/zinc/67/21/15/662672115.db2.gz JUXRFIPTYGDAKD-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461265 662672445 /nfs/dbraw/zinc/67/24/45/662672445.db2.gz NEPCVUJUWYEQET-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028455076 662672608 /nfs/dbraw/zinc/67/26/08/662672608.db2.gz PTPQEAWDJYKWOF-VHSXEESVSA-N 1 1 304.354 -1.001 20 0 DAADMO Cn1nnc(CN2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001028466245 662672613 /nfs/dbraw/zinc/67/26/13/662672613.db2.gz OVYDZKDFUOZHGR-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001028466245 662672614 /nfs/dbraw/zinc/67/26/14/662672614.db2.gz OVYDZKDFUOZHGR-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028466099 662672649 /nfs/dbraw/zinc/67/26/49/662672649.db2.gz OMFAYZPLEFIOCD-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028466099 662672651 /nfs/dbraw/zinc/67/26/51/662672651.db2.gz OMFAYZPLEFIOCD-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000982555748 662672891 /nfs/dbraw/zinc/67/28/91/662672891.db2.gz XHXPELYWHLDRAN-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000982555743 662673083 /nfs/dbraw/zinc/67/30/83/662673083.db2.gz XHXPELYWHLDRAN-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1N ZINC001028496978 662673547 /nfs/dbraw/zinc/67/35/47/662673547.db2.gz NZHUBKPVGJBQEK-ONGXEEELSA-N 1 1 306.370 -1.058 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558430 662673596 /nfs/dbraw/zinc/67/35/96/662673596.db2.gz GVNWXIZPUPHPNE-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558430 662673597 /nfs/dbraw/zinc/67/35/97/662673597.db2.gz GVNWXIZPUPHPNE-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001028512866 662674269 /nfs/dbraw/zinc/67/42/69/662674269.db2.gz KBGFSQKHMGXTRS-VHSXEESVSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028514894 662674532 /nfs/dbraw/zinc/67/45/32/662674532.db2.gz SVIOEDZIJXFTOD-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028514894 662674533 /nfs/dbraw/zinc/67/45/33/662674533.db2.gz SVIOEDZIJXFTOD-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028512864 662674784 /nfs/dbraw/zinc/67/47/84/662674784.db2.gz KBGFSQKHMGXTRS-UWVGGRQHSA-N 1 1 320.353 -1.328 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001028533142 662674998 /nfs/dbraw/zinc/67/49/98/662674998.db2.gz SNOBLUKVUQPUJC-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028564480 662675020 /nfs/dbraw/zinc/67/50/20/662675020.db2.gz FANGJRJPTUVTOU-SNVBAGLBSA-N 1 1 317.353 -1.078 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028553166 662675335 /nfs/dbraw/zinc/67/53/35/662675335.db2.gz CRHLXUNQMCZOCZ-SECBINFHSA-N 1 1 309.374 -1.035 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028553166 662675339 /nfs/dbraw/zinc/67/53/39/662675339.db2.gz CRHLXUNQMCZOCZ-SECBINFHSA-N 1 1 309.374 -1.035 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001028531271 662675459 /nfs/dbraw/zinc/67/54/59/662675459.db2.gz DXSNVFBCBHUWCR-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001028531271 662675460 /nfs/dbraw/zinc/67/54/60/662675460.db2.gz DXSNVFBCBHUWCR-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C(N)=O ZINC001012024639 662675993 /nfs/dbraw/zinc/67/59/93/662675993.db2.gz ZKGPXDGAUIYHAE-WPRPVWTQSA-N 1 1 323.353 -1.059 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000982660333 662676718 /nfs/dbraw/zinc/67/67/18/662676718.db2.gz SNYCXDCBWFWUGL-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000982660333 662676721 /nfs/dbraw/zinc/67/67/21/662676721.db2.gz SNYCXDCBWFWUGL-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@]12CN(C(=O)CCn3cnnn3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982672240 662676754 /nfs/dbraw/zinc/67/67/54/662676754.db2.gz UWTNAJHVCPCPFX-OKILXGFUSA-N 1 1 321.385 -1.281 20 0 DAADMO C[C@]12CN(C(=O)CCn3cnnn3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982672240 662676757 /nfs/dbraw/zinc/67/67/57/662676757.db2.gz UWTNAJHVCPCPFX-OKILXGFUSA-N 1 1 321.385 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982682193 662676851 /nfs/dbraw/zinc/67/68/51/662676851.db2.gz CVVLDTSIPYIEEB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982682193 662676854 /nfs/dbraw/zinc/67/68/54/662676854.db2.gz CVVLDTSIPYIEEB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001028581530 662677501 /nfs/dbraw/zinc/67/75/01/662677501.db2.gz KUJUUPRXWGRYSG-QMMMGPOBSA-N 1 1 303.326 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001028581530 662677506 /nfs/dbraw/zinc/67/75/06/662677506.db2.gz KUJUUPRXWGRYSG-QMMMGPOBSA-N 1 1 303.326 -1.110 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CNC3=O)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982784007 662679174 /nfs/dbraw/zinc/67/91/74/662679174.db2.gz FXKUYIAISQHPBQ-GASCZTMLSA-N 1 1 324.381 -1.299 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000982784465 662679365 /nfs/dbraw/zinc/67/93/65/662679365.db2.gz WBBQYNXERJIEOJ-WDEREUQCSA-N 1 1 321.385 -1.260 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001028605168 662681212 /nfs/dbraw/zinc/68/12/12/662681212.db2.gz MPCHJLDSPJMUCV-PWSUYJOCSA-N 1 1 319.365 -1.280 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602247 662681371 /nfs/dbraw/zinc/68/13/71/662681371.db2.gz CYYYCVNELPYSBC-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001028605166 662681380 /nfs/dbraw/zinc/68/13/80/662681380.db2.gz MPCHJLDSPJMUCV-CMPLNLGQSA-N 1 1 319.365 -1.280 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640985 662682400 /nfs/dbraw/zinc/68/24/00/662682400.db2.gz ZJMYZSCANRMWNS-NXEZZACHSA-N 1 1 322.369 -1.531 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966407 662682968 /nfs/dbraw/zinc/68/29/68/662682968.db2.gz YPWWKZBARUUSBH-JQWIXIFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966407 662682971 /nfs/dbraw/zinc/68/29/71/662682971.db2.gz YPWWKZBARUUSBH-JQWIXIFHSA-N 1 1 322.369 -1.286 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001028653279 662683205 /nfs/dbraw/zinc/68/32/05/662683205.db2.gz LRDHFELJPXAAHF-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001028653279 662683208 /nfs/dbraw/zinc/68/32/08/662683208.db2.gz LRDHFELJPXAAHF-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001028653279 662683211 /nfs/dbraw/zinc/68/32/11/662683211.db2.gz LRDHFELJPXAAHF-SECBINFHSA-N 1 1 321.341 -1.592 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001028661324 662683488 /nfs/dbraw/zinc/68/34/88/662683488.db2.gz JBCXRRGKHJZQHX-JTQLQIEISA-N 1 1 321.381 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001028671738 662684532 /nfs/dbraw/zinc/68/45/32/662684532.db2.gz PIVSMAIBQZGSFA-WDEREUQCSA-N 1 1 311.386 -1.300 20 0 DAADMO COCCn1nc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)ccc1=O ZINC001028677786 662684791 /nfs/dbraw/zinc/68/47/91/662684791.db2.gz ZOPGNKLZRDGSGM-LBPRGKRZSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116186 662685506 /nfs/dbraw/zinc/68/55/06/662685506.db2.gz UQEBPAVJWPIFMP-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116186 662685508 /nfs/dbraw/zinc/68/55/08/662685508.db2.gz UQEBPAVJWPIFMP-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707738 662686979 /nfs/dbraw/zinc/68/69/79/662686979.db2.gz WMOHZSTYAGDSFG-ZJUUUORDSA-N 1 1 303.384 -1.642 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702641 662686442 /nfs/dbraw/zinc/68/64/42/662686442.db2.gz LKBYXSUTYDNXKP-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707677 662686460 /nfs/dbraw/zinc/68/64/60/662686460.db2.gz VAYBWKMEFIJXMM-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707180 662686571 /nfs/dbraw/zinc/68/65/71/662686571.db2.gz LBNCZPSETXZMQW-QWRGUYRKSA-N 1 1 317.411 -1.254 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028703073 662686622 /nfs/dbraw/zinc/68/66/22/662686622.db2.gz PEROWVGAMQSFEP-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001028707148 662686635 /nfs/dbraw/zinc/68/66/35/662686635.db2.gz JYDYWBBHCNYMPX-ZJUUUORDSA-N 1 1 319.383 -2.670 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000983207473 662688841 /nfs/dbraw/zinc/68/88/41/662688841.db2.gz NLYULVVMVIHDMJ-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000983207473 662688842 /nfs/dbraw/zinc/68/88/42/662688842.db2.gz NLYULVVMVIHDMJ-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1)C1CC1 ZINC001028744683 662689271 /nfs/dbraw/zinc/68/92/71/662689271.db2.gz QCQKVFBFDBVAPU-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1)C1CC1 ZINC001028744684 662689278 /nfs/dbraw/zinc/68/92/78/662689278.db2.gz QCQKVFBFDBVAPU-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001028739268 662689617 /nfs/dbraw/zinc/68/96/17/662689617.db2.gz DVYSULXKUVTJCX-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028736003 662689646 /nfs/dbraw/zinc/68/96/46/662689646.db2.gz VHSOYVVUNPPRFS-SNVBAGLBSA-N 1 1 317.353 -1.078 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001028740701 662689674 /nfs/dbraw/zinc/68/96/74/662689674.db2.gz RXIJKQNOPIWUES-NEPJUHHUSA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028749287 662689896 /nfs/dbraw/zinc/68/98/96/662689896.db2.gz RKXNOSRZQGVDBR-UWVGGRQHSA-N 1 1 309.374 -1.262 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028748352 662690001 /nfs/dbraw/zinc/69/00/01/662690001.db2.gz KEKACSSUKCBAEN-JTQLQIEISA-N 1 1 322.373 -1.713 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001028747168 662690051 /nfs/dbraw/zinc/69/00/51/662690051.db2.gz YTIDWKDVLHWLTO-JTQLQIEISA-N 1 1 307.358 -1.506 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746060 662690164 /nfs/dbraw/zinc/69/01/64/662690164.db2.gz MHBDGJVOHDWXCR-ZJUUUORDSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)n1 ZINC001028746021 662690256 /nfs/dbraw/zinc/69/02/56/662690256.db2.gz LPFIGFMKMSACKU-LLVKDONJSA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)n1 ZINC001028748134 662690266 /nfs/dbraw/zinc/69/02/66/662690266.db2.gz JCHUFGVJQWWUBE-JTQLQIEISA-N 1 1 305.346 -1.447 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001028748937 662690316 /nfs/dbraw/zinc/69/03/16/662690316.db2.gz PLALNRDIQRPNBM-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001028773371 662690913 /nfs/dbraw/zinc/69/09/13/662690913.db2.gz LFLXXTRTZSTVOU-GHMZBOCLSA-N 1 1 324.385 -1.869 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028768846 662690924 /nfs/dbraw/zinc/69/09/24/662690924.db2.gz WNRPSUYMHOPGIZ-NXEZZACHSA-N 1 1 307.354 -1.044 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001028773347 662690969 /nfs/dbraw/zinc/69/09/69/662690969.db2.gz KZKWWWFRPWKJQS-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028763927 662691036 /nfs/dbraw/zinc/69/10/36/662691036.db2.gz VMXYLFAAXHQZAA-VIFPVBQESA-N 1 1 308.338 -1.156 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028763927 662691038 /nfs/dbraw/zinc/69/10/38/662691038.db2.gz VMXYLFAAXHQZAA-VIFPVBQESA-N 1 1 308.338 -1.156 20 0 DAADMO Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001028773999 662691259 /nfs/dbraw/zinc/69/12/59/662691259.db2.gz QQHAHSIGDDLYQN-ZJUUUORDSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001028773999 662691262 /nfs/dbraw/zinc/69/12/62/662691262.db2.gz QQHAHSIGDDLYQN-ZJUUUORDSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nonc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774056 662691336 /nfs/dbraw/zinc/69/13/36/662691336.db2.gz RQZNHCAGJQQTFJ-VHSXEESVSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nonc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774056 662691338 /nfs/dbraw/zinc/69/13/38/662691338.db2.gz RQZNHCAGJQQTFJ-VHSXEESVSA-N 1 1 308.342 -1.002 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028795004 662691480 /nfs/dbraw/zinc/69/14/80/662691480.db2.gz QJFGFCHZPOTUGW-MRVPVSSYSA-N 1 1 317.371 -1.899 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001028773267 662691563 /nfs/dbraw/zinc/69/15/63/662691563.db2.gz KMRMDEJGWRVVIX-GHMZBOCLSA-N 1 1 309.370 -1.662 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924980654 662691636 /nfs/dbraw/zinc/69/16/36/662691636.db2.gz JSZCLKJDTHPMRQ-UWVGGRQHSA-N 1 1 308.404 -2.094 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001028805832 662692216 /nfs/dbraw/zinc/69/22/16/662692216.db2.gz UFHNKRFVIFAJOK-TUAOUCFPSA-N 1 1 306.370 -1.162 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001028805319 662692258 /nfs/dbraw/zinc/69/22/58/662692258.db2.gz NDEJVENBYWQYIS-WCQGTBRESA-N 1 1 308.382 -1.176 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840447 662692522 /nfs/dbraw/zinc/69/25/22/662692522.db2.gz FJOSGHMNQBCZRZ-LLVKDONJSA-N 1 1 324.381 -1.218 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001028840872 662692666 /nfs/dbraw/zinc/69/26/66/662692666.db2.gz NWVMBTGCLANDNF-NSHDSACASA-N 1 1 324.381 -1.482 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001028840871 662692729 /nfs/dbraw/zinc/69/27/29/662692729.db2.gz NWVMBTGCLANDNF-LLVKDONJSA-N 1 1 324.381 -1.482 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840797 662692749 /nfs/dbraw/zinc/69/27/49/662692749.db2.gz MEJUROGSQGNFPP-MNOVXSKESA-N 1 1 324.381 -1.484 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1nnc[nH]1 ZINC001028876794 662692925 /nfs/dbraw/zinc/69/29/25/662692925.db2.gz ISLVHQBEBDPAHO-RKDXNWHRSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876794 662692926 /nfs/dbraw/zinc/69/29/26/662692926.db2.gz ISLVHQBEBDPAHO-RKDXNWHRSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876794 662692927 /nfs/dbraw/zinc/69/29/27/662692927.db2.gz ISLVHQBEBDPAHO-RKDXNWHRSA-N 1 1 306.326 -1.338 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)S1(=O)=O ZINC001028862027 662692949 /nfs/dbraw/zinc/69/29/49/662692949.db2.gz KDTHUIYKBKXDDA-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028875613 662692975 /nfs/dbraw/zinc/69/29/75/662692975.db2.gz IYTSCAQEMVEXRK-SNVBAGLBSA-N 1 1 317.353 -1.078 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000925004371 662693116 /nfs/dbraw/zinc/69/31/16/662693116.db2.gz BEDITHXSNXKTCJ-UHFFFAOYSA-N 1 1 322.431 -2.396 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)S1(=O)=O ZINC001028862037 662693202 /nfs/dbraw/zinc/69/32/02/662693202.db2.gz KDTHUIYKBKXDDA-ZJUUUORDSA-N 1 1 318.399 -2.056 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001028882532 662693207 /nfs/dbraw/zinc/69/32/07/662693207.db2.gz IABSJCIAKRIEBB-PSASIEDQSA-N 1 1 307.310 -1.074 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001028882538 662693213 /nfs/dbraw/zinc/69/32/13/662693213.db2.gz IABSJCIAKRIEBB-WPRPVWTQSA-N 1 1 307.310 -1.074 20 0 DAADMO CC1=C(C(=O)NCC[N@@H+](C)CCO)[C@@H](C)n2nnnc2N1C ZINC000925004710 662693223 /nfs/dbraw/zinc/69/32/23/662693223.db2.gz JZHCOHNOJARXRK-SNVBAGLBSA-N 1 1 309.374 -1.002 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001028863472 662693318 /nfs/dbraw/zinc/69/33/18/662693318.db2.gz RQWILCCYMMPUOV-VIFPVBQESA-N 1 1 318.337 -1.028 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001028866716 662693337 /nfs/dbraw/zinc/69/33/37/662693337.db2.gz SGWXLUHKBWFNQH-KOLCDFICSA-N 1 1 322.365 -1.634 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001028862427 662693468 /nfs/dbraw/zinc/69/34/68/662693468.db2.gz RHWHQQLNKBSVJM-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001028863471 662693473 /nfs/dbraw/zinc/69/34/73/662693473.db2.gz RQWILCCYMMPUOV-SECBINFHSA-N 1 1 318.337 -1.028 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001028894060 662693765 /nfs/dbraw/zinc/69/37/65/662693765.db2.gz SBDKDWUUAOKEMT-SECBINFHSA-N 1 1 307.354 -1.089 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001028894061 662694038 /nfs/dbraw/zinc/69/40/38/662694038.db2.gz SBDKDWUUAOKEMT-VIFPVBQESA-N 1 1 307.354 -1.089 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001028926781 662694091 /nfs/dbraw/zinc/69/40/91/662694091.db2.gz RKTSYUVXJLOWGG-UWVGGRQHSA-N 1 1 306.370 -1.167 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001028920575 662694198 /nfs/dbraw/zinc/69/41/98/662694198.db2.gz BQMFHRLZHBTWRG-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001028990415 662694471 /nfs/dbraw/zinc/69/44/71/662694471.db2.gz IFJHZJBRCPDSQL-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971000 662694520 /nfs/dbraw/zinc/69/45/20/662694520.db2.gz DJOKFPIDAGOKKU-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028975058 662694576 /nfs/dbraw/zinc/69/45/76/662694576.db2.gz XVHLLRPMSOFOKQ-MRVPVSSYSA-N 1 1 306.326 -1.888 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028975058 662694578 /nfs/dbraw/zinc/69/45/78/662694578.db2.gz XVHLLRPMSOFOKQ-MRVPVSSYSA-N 1 1 306.326 -1.888 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001028971482 662694611 /nfs/dbraw/zinc/69/46/11/662694611.db2.gz PCQRVXKRWBIPNR-JQWIXIFHSA-N 1 1 319.365 -1.280 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001028979641 662694619 /nfs/dbraw/zinc/69/46/19/662694619.db2.gz BSXVOPLWAILAJK-QMMMGPOBSA-N 1 1 309.326 -1.977 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c(=O)[nH]c1=O ZINC001028980653 662694643 /nfs/dbraw/zinc/69/46/43/662694643.db2.gz UWXVXNXHVADOMB-JTQLQIEISA-N 1 1 310.354 -1.080 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001028984627 662694682 /nfs/dbraw/zinc/69/46/82/662694682.db2.gz XONCFYYJRYTVOB-VIFPVBQESA-N 1 1 307.354 -1.089 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979958 662694724 /nfs/dbraw/zinc/69/47/24/662694724.db2.gz IKBKIRYGOWVYRS-SECBINFHSA-N 1 1 323.353 -1.716 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970823 662694776 /nfs/dbraw/zinc/69/47/76/662694776.db2.gz ADIOBOWPXWNAEO-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028963188 662694862 /nfs/dbraw/zinc/69/48/62/662694862.db2.gz IYZUNVCEHNUBKJ-RYUDHWBXSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001029006359 662695003 /nfs/dbraw/zinc/69/50/03/662695003.db2.gz IHDSBAWVMQSRRX-WDEREUQCSA-N 1 1 321.381 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011417 662695016 /nfs/dbraw/zinc/69/50/16/662695016.db2.gz JNYPDCBMCPXQII-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001029004198 662695047 /nfs/dbraw/zinc/69/50/47/662695047.db2.gz WUKDWIQJBKNPBL-LLVKDONJSA-N 1 1 324.385 -1.590 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029007403 662695066 /nfs/dbraw/zinc/69/50/66/662695066.db2.gz YWXPXQPCMIBGFE-VHSXEESVSA-N 1 1 309.370 -1.351 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000624 662695258 /nfs/dbraw/zinc/69/52/58/662695258.db2.gz GNAWTQQBWOUOBU-VIFPVBQESA-N 1 1 323.357 -2.439 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001029000819 662695292 /nfs/dbraw/zinc/69/52/92/662695292.db2.gz KJNGTTCROBKMBB-GHMZBOCLSA-N 1 1 306.370 -1.236 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001029006358 662695316 /nfs/dbraw/zinc/69/53/16/662695316.db2.gz IHDSBAWVMQSRRX-QWRGUYRKSA-N 1 1 321.381 -1.336 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cnn(C)c3N)C2)n1 ZINC000983525567 662695577 /nfs/dbraw/zinc/69/55/77/662695577.db2.gz KVYSSDHQGLXJRH-KYZUINATSA-N 1 1 319.373 -1.176 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC000983583786 662695987 /nfs/dbraw/zinc/69/59/87/662695987.db2.gz HSLNPGRWMBYQGA-CIUDSAMLSA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC000983603492 662696385 /nfs/dbraw/zinc/69/63/85/662696385.db2.gz GQWIAOYEQIEWRR-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029180206 662697627 /nfs/dbraw/zinc/69/76/27/662697627.db2.gz ZSVYXCXWBJSYTD-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029180206 662697630 /nfs/dbraw/zinc/69/76/30/662697630.db2.gz ZSVYXCXWBJSYTD-PHIMTYICSA-N 1 1 310.354 -1.140 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC000983854876 662697997 /nfs/dbraw/zinc/69/79/97/662697997.db2.gz WDTJQSWJJCROKS-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029280210 662698772 /nfs/dbraw/zinc/69/87/72/662698772.db2.gz ZCJCPRPVKGHPHF-CRWXNKLISA-N 1 1 322.409 -1.119 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029280212 662698850 /nfs/dbraw/zinc/69/88/50/662698850.db2.gz ZCJCPRPVKGHPHF-RFQIPJPRSA-N 1 1 322.409 -1.119 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC000983968452 662699608 /nfs/dbraw/zinc/69/96/08/662699608.db2.gz WYYFUJMONOXWAE-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029310203 662700183 /nfs/dbraw/zinc/70/01/83/662700183.db2.gz CKMZERLEQSZFKQ-TXEJJXNPSA-N 1 1 317.357 -1.360 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029310203 662700185 /nfs/dbraw/zinc/70/01/85/662700185.db2.gz CKMZERLEQSZFKQ-TXEJJXNPSA-N 1 1 317.357 -1.360 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)n1 ZINC001029314569 662700318 /nfs/dbraw/zinc/70/03/18/662700318.db2.gz ZTMMHLLTIMHPHO-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)O1 ZINC001029355999 662700725 /nfs/dbraw/zinc/70/07/25/662700725.db2.gz BQSXWTABZOPTSH-FVCCEPFGSA-N 1 1 310.398 -1.134 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)O1 ZINC001029355999 662700728 /nfs/dbraw/zinc/70/07/28/662700728.db2.gz BQSXWTABZOPTSH-FVCCEPFGSA-N 1 1 310.398 -1.134 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)c1=O ZINC001029369041 662701153 /nfs/dbraw/zinc/70/11/53/662701153.db2.gz AKKUFZMCIXXMRE-TXEJJXNPSA-N 1 1 309.370 -1.361 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC000984138278 662701742 /nfs/dbraw/zinc/70/17/42/662701742.db2.gz GTDTYAFZNFVICD-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000928563023 662701893 /nfs/dbraw/zinc/70/18/93/662701893.db2.gz NSSFRISDWGOMIG-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029382897 662701962 /nfs/dbraw/zinc/70/19/62/662701962.db2.gz WSPAKZMVUDMBQD-PHIMTYICSA-N 1 1 308.338 -1.384 20 0 DAADMO CN(c1cc[nH+]c(N(C)[C@@H]2COC[C@H]2O)n1)[C@@H]1COC[C@H]1O ZINC000895204332 662702676 /nfs/dbraw/zinc/70/26/76/662702676.db2.gz CIKNKWXQIWQELK-DDHJBXDOSA-N 1 1 310.354 -1.132 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)NC1=O ZINC001029422369 662703389 /nfs/dbraw/zinc/70/33/89/662703389.db2.gz AKURHZAEUKEZEB-WHOHXGKFSA-N 1 1 321.381 -1.426 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)C2)n1 ZINC000984421483 662703571 /nfs/dbraw/zinc/70/35/71/662703571.db2.gz HHVSOOOQLSJDAH-BHDSKKPTSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2cncn2)n1 ZINC001029428130 662703658 /nfs/dbraw/zinc/70/36/58/662703658.db2.gz KPZWRJFRUALENT-PHIMTYICSA-N 1 1 317.357 -1.209 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCn2cncn2)n1 ZINC001029428130 662703659 /nfs/dbraw/zinc/70/36/59/662703659.db2.gz KPZWRJFRUALENT-PHIMTYICSA-N 1 1 317.357 -1.209 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029445659 662704406 /nfs/dbraw/zinc/70/44/06/662704406.db2.gz UQUKVZJCNAHHFD-TUAOUCFPSA-N 1 1 319.369 -1.365 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029445659 662704407 /nfs/dbraw/zinc/70/44/07/662704407.db2.gz UQUKVZJCNAHHFD-TUAOUCFPSA-N 1 1 319.369 -1.365 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)n1 ZINC000984543688 662704889 /nfs/dbraw/zinc/70/48/89/662704889.db2.gz IHCZIHUSITWUCV-GUBZILKMSA-N 1 1 307.358 -1.669 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCNC3=O)C2)n1 ZINC000984543690 662705040 /nfs/dbraw/zinc/70/50/40/662705040.db2.gz IHCZIHUSITWUCV-OPRDCNLKSA-N 1 1 307.358 -1.669 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC000984557541 662705444 /nfs/dbraw/zinc/70/54/44/662705444.db2.gz CVHYGFZCNSXNLI-GUBZILKMSA-N 1 1 322.373 -1.782 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587246 662706210 /nfs/dbraw/zinc/70/62/10/662706210.db2.gz UKGLBBLVEYTORN-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000984587246 662706212 /nfs/dbraw/zinc/70/62/12/662706212.db2.gz UKGLBBLVEYTORN-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC000984603764 662706242 /nfs/dbraw/zinc/70/62/42/662706242.db2.gz FVDQRBVCVDMEMC-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)CC1 ZINC000896237518 662706694 /nfs/dbraw/zinc/70/66/94/662706694.db2.gz TWTXOBPHKWRFMQ-UHFFFAOYSA-N 1 1 323.397 -1.237 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)CC1 ZINC000896229847 662706724 /nfs/dbraw/zinc/70/67/24/662706724.db2.gz IWZGONPLEZBRFP-GFCCVEGCSA-N 1 1 323.397 -1.366 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C(N)=O ZINC000984729800 662707730 /nfs/dbraw/zinc/70/77/30/662707730.db2.gz HUZDLUZYZIUTHT-AXFHLTTASA-N 1 1 312.370 -1.702 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C(N)=O ZINC000984729800 662707732 /nfs/dbraw/zinc/70/77/32/662707732.db2.gz HUZDLUZYZIUTHT-AXFHLTTASA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnc(CNC[C@@H]2C[C@@H](NC(=O)C3=NC(=O)N(C)C3)C2)n1 ZINC000984742667 662707793 /nfs/dbraw/zinc/70/77/93/662707793.db2.gz ZHOIUFPTSVHSRV-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@@H](C[NH2+]Cc3nnn(C)n3)C2)[nH]c1=O ZINC000984742667 662707795 /nfs/dbraw/zinc/70/77/95/662707795.db2.gz ZHOIUFPTSVHSRV-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@]3(C)CCNC3=O)C2)n1 ZINC000984796061 662708191 /nfs/dbraw/zinc/70/81/91/662708191.db2.gz RAJFADVOAHTUJX-BHDSKKPTSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029517607 662708342 /nfs/dbraw/zinc/70/83/42/662708342.db2.gz HZVNKALAQGTIAN-TXEJJXNPSA-N 1 1 322.365 -1.406 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001038454664 662708502 /nfs/dbraw/zinc/70/85/02/662708502.db2.gz YYPOALQQZZOSIJ-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001038454664 662708505 /nfs/dbraw/zinc/70/85/05/662708505.db2.gz YYPOALQQZZOSIJ-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000320391732 662708598 /nfs/dbraw/zinc/70/85/98/662708598.db2.gz DGYQSHBEFBHJMO-VIFPVBQESA-N 1 1 321.385 -1.382 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC000984934328 662708639 /nfs/dbraw/zinc/70/86/39/662708639.db2.gz IBFXEGWDNLQDAH-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC000984934328 662708640 /nfs/dbraw/zinc/70/86/40/662708640.db2.gz IBFXEGWDNLQDAH-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001038454657 662708922 /nfs/dbraw/zinc/70/89/22/662708922.db2.gz YYPOALQQZZOSIJ-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001038454657 662708924 /nfs/dbraw/zinc/70/89/24/662708924.db2.gz YYPOALQQZZOSIJ-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000985254537 662709845 /nfs/dbraw/zinc/70/98/45/662709845.db2.gz QCCDVYKCPVYZQV-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](C1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CCCNC1=O ZINC000985254945 662709986 /nfs/dbraw/zinc/70/99/86/662709986.db2.gz WKHCLAKWPDJUEQ-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)O)c(=O)n1C ZINC001029570356 662709997 /nfs/dbraw/zinc/70/99/97/662709997.db2.gz UMYNDHDAJZZFKI-WCFLWFBJSA-N 1 1 323.397 -1.054 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000985254536 662710010 /nfs/dbraw/zinc/71/00/10/662710010.db2.gz QCCDVYKCPVYZQV-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985253901 662710014 /nfs/dbraw/zinc/71/00/14/662710014.db2.gz JHMMTGOUJHLLGE-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985253911 662710074 /nfs/dbraw/zinc/71/00/74/662710074.db2.gz JUDCHAAYJBWXJJ-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO Cn1cc(C[N@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)nn1 ZINC000985254538 662710095 /nfs/dbraw/zinc/71/00/95/662710095.db2.gz QCRQHFBKNLDAOH-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)Cn3cnnn3)CC2)nn1 ZINC000985254538 662710096 /nfs/dbraw/zinc/71/00/96/662710096.db2.gz QCRQHFBKNLDAOH-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO C[N@@H+](C1CCN(C(=O)CC(N)=O)CC1)[C@H]1CCC(=O)NC1=O ZINC000985349103 662710330 /nfs/dbraw/zinc/71/03/30/662710330.db2.gz QBXQOKAYNVOBAD-JTQLQIEISA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318529 662710374 /nfs/dbraw/zinc/71/03/74/662710374.db2.gz HCIBAYQNRRLXLY-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985318529 662710376 /nfs/dbraw/zinc/71/03/76/662710376.db2.gz HCIBAYQNRRLXLY-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1=O ZINC001029577609 662710433 /nfs/dbraw/zinc/71/04/33/662710433.db2.gz ZEWJASIHYBIFKE-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)CCO1 ZINC000751479516 662710890 /nfs/dbraw/zinc/71/08/90/662710890.db2.gz GFXRFIFSIXGCQI-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)CCO1 ZINC000751479516 662710892 /nfs/dbraw/zinc/71/08/92/662710892.db2.gz GFXRFIFSIXGCQI-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)n1 ZINC000985434578 662710938 /nfs/dbraw/zinc/71/09/38/662710938.db2.gz DHRBDDSLPHODHQ-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)n1 ZINC000985434578 662710939 /nfs/dbraw/zinc/71/09/39/662710939.db2.gz DHRBDDSLPHODHQ-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985435685 662711048 /nfs/dbraw/zinc/71/10/48/662711048.db2.gz MMXJTDWKHRCYII-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985434503 662711183 /nfs/dbraw/zinc/71/11/83/662711183.db2.gz BYDJIJMCJVHBSZ-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985434503 662711185 /nfs/dbraw/zinc/71/11/85/662711185.db2.gz BYDJIJMCJVHBSZ-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1cc(C[N@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)nn1 ZINC000985435797 662711234 /nfs/dbraw/zinc/71/12/34/662711234.db2.gz NITXELJWROYSOS-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)nn1 ZINC000985435797 662711235 /nfs/dbraw/zinc/71/12/35/662711235.db2.gz NITXELJWROYSOS-UHFFFAOYSA-N 1 1 319.373 -1.075 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000985441445 662711331 /nfs/dbraw/zinc/71/13/31/662711331.db2.gz IQBFUHISQHZYTJ-UHFFFAOYSA-N 1 1 323.357 -2.215 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2nccn2)C1)[C@@H]1CCNC1=O ZINC001029747954 662711510 /nfs/dbraw/zinc/71/15/10/662711510.db2.gz OTGPLOBABJQNKJ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC001029737962 662711541 /nfs/dbraw/zinc/71/15/41/662711541.db2.gz QIKGCRRJSPDPQV-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001029737617 662711553 /nfs/dbraw/zinc/71/15/53/662711553.db2.gz MSDMLSOFYMNZDV-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001029737617 662711554 /nfs/dbraw/zinc/71/15/54/662711554.db2.gz MSDMLSOFYMNZDV-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001029793822 662712294 /nfs/dbraw/zinc/71/22/94/662712294.db2.gz WTZAXOBSOHORPA-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000985524202 662712319 /nfs/dbraw/zinc/71/23/19/662712319.db2.gz XPYGAKCZQQOHET-UHFFFAOYSA-N 1 1 323.353 -1.643 20 0 DAADMO CN1C[C@H](C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)NC1=O ZINC000985572730 662712385 /nfs/dbraw/zinc/71/23/85/662712385.db2.gz AQLWMSRUONNODM-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001029822048 662712485 /nfs/dbraw/zinc/71/24/85/662712485.db2.gz XVSUQAUTQFFTPF-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001029822048 662712486 /nfs/dbraw/zinc/71/24/86/662712486.db2.gz XVSUQAUTQFFTPF-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@@H]1CCNC1=O ZINC001029825698 662712598 /nfs/dbraw/zinc/71/25/98/662712598.db2.gz SQVCOCVHBLSWJK-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000985572989 662712615 /nfs/dbraw/zinc/71/26/15/662712615.db2.gz CEKQMOLVQLDHBR-GXSJLCMTSA-N 1 1 311.386 -1.193 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnnn3C)C2)n1 ZINC001029807025 662712783 /nfs/dbraw/zinc/71/27/83/662712783.db2.gz WSAPPROFTCOZOY-SNVBAGLBSA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001029805772 662712906 /nfs/dbraw/zinc/71/29/06/662712906.db2.gz CLTXJSYRCRCWGS-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@H]1CCNC1=O ZINC001029825699 662712982 /nfs/dbraw/zinc/71/29/82/662712982.db2.gz SQVCOCVHBLSWJK-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@@H+](C)CC(=O)N3CCC3)CC2)n1 ZINC000985586362 662713102 /nfs/dbraw/zinc/71/31/02/662713102.db2.gz ZGDMCJJIYVNIRY-UHFFFAOYSA-N 1 1 321.385 -1.021 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612615 662713147 /nfs/dbraw/zinc/71/31/47/662713147.db2.gz HVTXVHUDJRSSEQ-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)[C@@H]1CCCNC1=O ZINC000985608789 662713242 /nfs/dbraw/zinc/71/32/42/662713242.db2.gz UQHCXWSGBYNDHL-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC000985608010 662713435 /nfs/dbraw/zinc/71/34/35/662713435.db2.gz NITXBEHZGAWMTC-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC000985608010 662713437 /nfs/dbraw/zinc/71/34/37/662713437.db2.gz NITXBEHZGAWMTC-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CCn2cnnn2)CC1 ZINC000985712573 662713686 /nfs/dbraw/zinc/71/36/86/662713686.db2.gz KSFHFPMQUQAOHC-SNVBAGLBSA-N 1 1 309.374 -1.140 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C2CCN(C(=O)c3nc[nH]n3)CC2)nc1=O ZINC000985705188 662713698 /nfs/dbraw/zinc/71/36/98/662713698.db2.gz QUWZOVVQCDHDLB-UHFFFAOYSA-N 1 1 320.357 -1.037 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CCn2cnnn2)CC1 ZINC000985715049 662713702 /nfs/dbraw/zinc/71/37/02/662713702.db2.gz STYQXJVJBZWZMH-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCCO ZINC000947820665 662713727 /nfs/dbraw/zinc/71/37/27/662713727.db2.gz MQGKTXXYPAVVBR-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000985696490 662713734 /nfs/dbraw/zinc/71/37/34/662713734.db2.gz KPVDWYFZPNZVCO-UHFFFAOYSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCCO ZINC000947820660 662713779 /nfs/dbraw/zinc/71/37/79/662713779.db2.gz MQGKTXXYPAVVBR-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000985703987 662713785 /nfs/dbraw/zinc/71/37/85/662713785.db2.gz PXFQTKPKOLBHOX-SECBINFHSA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000985704084 662713887 /nfs/dbraw/zinc/71/38/87/662713887.db2.gz NHZUSJAXSOPEOR-UHFFFAOYSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CCn2cnnn2)CC1 ZINC000985715048 662713896 /nfs/dbraw/zinc/71/38/96/662713896.db2.gz STYQXJVJBZWZMH-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000985792293 662714291 /nfs/dbraw/zinc/71/42/91/662714291.db2.gz KUPILKJHFTYHHJ-SNVBAGLBSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000985782103 662714348 /nfs/dbraw/zinc/71/43/48/662714348.db2.gz RDESKQDZWCWOGS-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CCn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001029874128 662714604 /nfs/dbraw/zinc/71/46/04/662714604.db2.gz GUXKKCXIZCCGQU-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000985879116 662714886 /nfs/dbraw/zinc/71/48/86/662714886.db2.gz USVCMAGVDMUJDY-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000985879116 662714888 /nfs/dbraw/zinc/71/48/88/662714888.db2.gz USVCMAGVDMUJDY-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC000985946955 662715127 /nfs/dbraw/zinc/71/51/27/662715127.db2.gz SXJOYHVHWCYJOE-ONGXEEELSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1cnnn1 ZINC000985941735 662715181 /nfs/dbraw/zinc/71/51/81/662715181.db2.gz JGHSKAZMGGZAHW-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCCC1=O ZINC000985958379 662715199 /nfs/dbraw/zinc/71/51/99/662715199.db2.gz PQEDXGDZWSUOFM-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C)[nH]1 ZINC000985959450 662715286 /nfs/dbraw/zinc/71/52/86/662715286.db2.gz RSNXKTOKQYJKRX-PSASIEDQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986037505 662715374 /nfs/dbraw/zinc/71/53/74/662715374.db2.gz CIBCPYYYWRIMJO-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986039931 662715576 /nfs/dbraw/zinc/71/55/76/662715576.db2.gz IZXYOQUWUAYVPH-BDAKNGLRSA-N 1 1 316.387 -1.666 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986043366 662715590 /nfs/dbraw/zinc/71/55/90/662715590.db2.gz QRSLTTAXCQCROD-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nccnc1N ZINC000986067501 662715604 /nfs/dbraw/zinc/71/56/04/662715604.db2.gz JTXYQSSQGRSSLZ-DTWKUNHWSA-N 1 1 317.357 -1.025 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cncn2)C1)[C@H]1CCNC1=O ZINC001029900323 662715714 /nfs/dbraw/zinc/71/57/14/662715714.db2.gz SUYCIIDNSSJPHU-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CN=NC1=O ZINC000986182013 662715738 /nfs/dbraw/zinc/71/57/38/662715738.db2.gz HPCFTLPOUZABNW-MWLCHTKSSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)CC(N)=O ZINC000986110236 662715845 /nfs/dbraw/zinc/71/58/45/662715845.db2.gz JWEGIMRPEFUGMR-ZJUUUORDSA-N 1 1 322.369 -1.237 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986148302 662716057 /nfs/dbraw/zinc/71/60/57/662716057.db2.gz KVVQFSXTKSDTRG-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)CC(N)=O ZINC000986110233 662716100 /nfs/dbraw/zinc/71/61/00/662716100.db2.gz JWEGIMRPEFUGMR-VHSXEESVSA-N 1 1 322.369 -1.237 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1ccnn1 ZINC000986217285 662716477 /nfs/dbraw/zinc/71/64/77/662716477.db2.gz LQMFJTUUORYCNE-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@H]2C)[nH]1 ZINC000986254115 662716763 /nfs/dbraw/zinc/71/67/63/662716763.db2.gz VYZZLTONIPZGPP-SCZZXKLOSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncnn1 ZINC000986274900 662716845 /nfs/dbraw/zinc/71/68/45/662716845.db2.gz BPGBCCIYZRLJPF-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1ncnn1 ZINC000986274908 662716876 /nfs/dbraw/zinc/71/68/76/662716876.db2.gz BPGBCCIYZRLJPF-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986290066 662716890 /nfs/dbraw/zinc/71/68/90/662716890.db2.gz QWFHUGCJYBZROY-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@@H]2C)[nH]1 ZINC000986254117 662716974 /nfs/dbraw/zinc/71/69/74/662716974.db2.gz VYZZLTONIPZGPP-WPRPVWTQSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986448480 662717446 /nfs/dbraw/zinc/71/74/46/662717446.db2.gz RNJZJHWVJYQNAY-MWLCHTKSSA-N 1 1 321.341 -1.256 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000986587460 662717912 /nfs/dbraw/zinc/71/79/12/662717912.db2.gz CZRJEYUMTWOPSD-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986583791 662718012 /nfs/dbraw/zinc/71/80/12/662718012.db2.gz OANRPHGAPFMWOK-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986583791 662718015 /nfs/dbraw/zinc/71/80/15/662718015.db2.gz OANRPHGAPFMWOK-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC000986657230 662718294 /nfs/dbraw/zinc/71/82/94/662718294.db2.gz PXLTULTXEMFISV-WPRPVWTQSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000986591795 662718587 /nfs/dbraw/zinc/71/85/87/662718587.db2.gz KSGYWFGANAFKDY-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)c1nnn(C)n1 ZINC000986661328 662718745 /nfs/dbraw/zinc/71/87/45/662718745.db2.gz DFKFOSMKOOXEME-WCBMZHEXSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986749620 662718785 /nfs/dbraw/zinc/71/87/85/662718785.db2.gz QZCHUKHIXDIMTB-RKDXNWHRSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986659640 662718955 /nfs/dbraw/zinc/71/89/55/662718955.db2.gz XCSHKIZXNANXGZ-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986674037 662719156 /nfs/dbraw/zinc/71/91/56/662719156.db2.gz ZIARVTWSGXDNJH-CMPLNLGQSA-N 1 1 322.369 -1.420 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)[C@H]1CCNC1=O ZINC001029990528 662719534 /nfs/dbraw/zinc/71/95/34/662719534.db2.gz RORQPCQAFQLAEM-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987248489 662721874 /nfs/dbraw/zinc/72/18/74/662721874.db2.gz KPPJHSQWNULZSX-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249816 662721883 /nfs/dbraw/zinc/72/18/83/662721883.db2.gz QPESBMOZPHYVRF-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC000987515187 662722567 /nfs/dbraw/zinc/72/25/67/662722567.db2.gz AUMSGQWBYIXUSK-VWYCJHECSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1nc[nH]n1 ZINC000987515187 662722568 /nfs/dbraw/zinc/72/25/68/662722568.db2.gz AUMSGQWBYIXUSK-VWYCJHECSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC000987506682 662722578 /nfs/dbraw/zinc/72/25/78/662722578.db2.gz CYPIRZJLWVHFRD-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC000987506682 662722579 /nfs/dbraw/zinc/72/25/79/662722579.db2.gz CYPIRZJLWVHFRD-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)Cn1ncnn1 ZINC000987465543 662722629 /nfs/dbraw/zinc/72/26/29/662722629.db2.gz UKMADKZDKVGGNU-GRYCIOLGSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cncn1 ZINC000987470973 662722777 /nfs/dbraw/zinc/72/27/77/662722777.db2.gz KFNAWNDQRKCILA-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1cnnn1 ZINC000988004399 662723725 /nfs/dbraw/zinc/72/37/25/662723725.db2.gz NQJSJOGFTIAEST-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCCC1=O ZINC000987986209 662723790 /nfs/dbraw/zinc/72/37/90/662723790.db2.gz TUQOZQKESVZNKY-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCCC1=O ZINC000987986213 662723912 /nfs/dbraw/zinc/72/39/12/662723912.db2.gz TUQOZQKESVZNKY-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000988011922 662723921 /nfs/dbraw/zinc/72/39/21/662723921.db2.gz XNFBCPPMFUOFCD-WCBMZHEXSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000988185826 662724392 /nfs/dbraw/zinc/72/43/92/662724392.db2.gz SKPZDHIZUYSRRC-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CS(C)(=O)=O ZINC000988216252 662724904 /nfs/dbraw/zinc/72/49/04/662724904.db2.gz KDQKCFGOFJBIMS-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000988285432 662725849 /nfs/dbraw/zinc/72/58/49/662725849.db2.gz KVLIVIWLZNSHOA-QWRGUYRKSA-N 1 1 312.370 -1.891 20 0 DAADMO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000988285432 662725851 /nfs/dbraw/zinc/72/58/51/662725851.db2.gz KVLIVIWLZNSHOA-QWRGUYRKSA-N 1 1 312.370 -1.891 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937656247 662726282 /nfs/dbraw/zinc/72/62/82/662726282.db2.gz LDEUXAALUPMIKY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937656257 662726376 /nfs/dbraw/zinc/72/63/76/662726376.db2.gz LNRHQBQCWYJGJW-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937661329 662726978 /nfs/dbraw/zinc/72/69/78/662726978.db2.gz ZARAKNWFQZHEBO-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937659360 662727185 /nfs/dbraw/zinc/72/71/85/662727185.db2.gz HMDGASLXNCFXCZ-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937748089 662729751 /nfs/dbraw/zinc/72/97/51/662729751.db2.gz RYAPJEDVAYLLAC-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937748089 662729754 /nfs/dbraw/zinc/72/97/54/662729754.db2.gz RYAPJEDVAYLLAC-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663878 662729949 /nfs/dbraw/zinc/72/99/49/662729949.db2.gz DRUAXILVYGGROZ-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CN1CN=NC1=O ZINC000988661346 662730080 /nfs/dbraw/zinc/73/00/80/662730080.db2.gz HVOKFKXSZLZPSD-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937778983 662730621 /nfs/dbraw/zinc/73/06/21/662730621.db2.gz KLRPXCDOPYXMIS-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937778983 662730624 /nfs/dbraw/zinc/73/06/24/662730624.db2.gz KLRPXCDOPYXMIS-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937778046 662730860 /nfs/dbraw/zinc/73/08/60/662730860.db2.gz BSVNXIDHMKKJLE-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000937778046 662730864 /nfs/dbraw/zinc/73/08/64/662730864.db2.gz BSVNXIDHMKKJLE-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937778073 662730917 /nfs/dbraw/zinc/73/09/17/662730917.db2.gz CPRSKDXLABSDDU-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937778073 662730919 /nfs/dbraw/zinc/73/09/19/662730919.db2.gz CPRSKDXLABSDDU-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)c1N ZINC000988671455 662731381 /nfs/dbraw/zinc/73/13/81/662731381.db2.gz GDRWVCNAONJNBZ-DTWKUNHWSA-N 1 1 319.373 -1.081 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000937890590 662732943 /nfs/dbraw/zinc/73/29/43/662732943.db2.gz SAWJZQGNJSFJQN-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000937901599 662734349 /nfs/dbraw/zinc/73/43/49/662734349.db2.gz CDNPYHADIRCGPH-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000937901599 662734352 /nfs/dbraw/zinc/73/43/52/662734352.db2.gz CDNPYHADIRCGPH-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937978691 662736507 /nfs/dbraw/zinc/73/65/07/662736507.db2.gz NOGATSWPOXNEOM-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000937975115 662736667 /nfs/dbraw/zinc/73/66/67/662736667.db2.gz LELMLGCSCNOBLL-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937977488 662736808 /nfs/dbraw/zinc/73/68/08/662736808.db2.gz CNMSGADMYSXRPQ-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000937984155 662736814 /nfs/dbraw/zinc/73/68/14/662736814.db2.gz KZNRNMUWCIIQGF-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938004096 662737065 /nfs/dbraw/zinc/73/70/65/662737065.db2.gz SUGNWMQEBQWNAU-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938001004 662737488 /nfs/dbraw/zinc/73/74/88/662737488.db2.gz MMFJXMMZCBZIKR-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938000900 662737526 /nfs/dbraw/zinc/73/75/26/662737526.db2.gz ZPQQCEUHEUKBJL-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938002759 662737870 /nfs/dbraw/zinc/73/78/70/662737870.db2.gz YRVAAPPIVUFFJM-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938015982 662738022 /nfs/dbraw/zinc/73/80/22/662738022.db2.gz AJRVPFOGVVSOKV-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000988829572 662739220 /nfs/dbraw/zinc/73/92/20/662739220.db2.gz OODWDTHKKWCWMP-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1ncnn1 ZINC000988836827 662739263 /nfs/dbraw/zinc/73/92/63/662739263.db2.gz FNTMPBDLBCDGDW-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000988829573 662739603 /nfs/dbraw/zinc/73/96/03/662739603.db2.gz OODWDTHKKWCWMP-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000938103904 662741572 /nfs/dbraw/zinc/74/15/72/662741572.db2.gz AQAFTNPBGPVBFP-UWVGGRQHSA-N 1 1 305.338 -1.037 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729594043 662743727 /nfs/dbraw/zinc/74/37/27/662743727.db2.gz IVEQBYXBKJQNKG-NXEZZACHSA-N 1 1 306.388 -1.563 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989333674 662743861 /nfs/dbraw/zinc/74/38/61/662743861.db2.gz IDOYDHQTZDVFJG-VWYCJHECSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C(N)=O ZINC000989385192 662744404 /nfs/dbraw/zinc/74/44/04/662744404.db2.gz RHWWRKLYRBTHFN-RKDXNWHRSA-N 1 1 308.342 -1.627 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000898250517 662747097 /nfs/dbraw/zinc/74/70/97/662747097.db2.gz SFFYYBMCPMROPS-NSHDSACASA-N 1 1 301.343 -1.100 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989516057 662747667 /nfs/dbraw/zinc/74/76/67/662747667.db2.gz JJJWDRGLJQAVBI-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989516057 662747670 /nfs/dbraw/zinc/74/76/70/662747670.db2.gz JJJWDRGLJQAVBI-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)n1 ZINC000989549052 662748131 /nfs/dbraw/zinc/74/81/31/662748131.db2.gz DWDCOSQVCPGQBR-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@]1(CC(=O)N2CCC[N@@H+](CCO)CC2)CCS(=O)(=O)N1 ZINC000989557794 662748158 /nfs/dbraw/zinc/74/81/58/662748158.db2.gz RZHBDLUULQOYOE-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989623979 662749515 /nfs/dbraw/zinc/74/95/15/662749515.db2.gz PUKYXSVCDKNRJO-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989623979 662749517 /nfs/dbraw/zinc/74/95/17/662749517.db2.gz PUKYXSVCDKNRJO-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000989626308 662749664 /nfs/dbraw/zinc/74/96/64/662749664.db2.gz XHZOQCUQMOFELD-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](CCCO)CC1 ZINC000989625115 662749696 /nfs/dbraw/zinc/74/96/96/662749696.db2.gz CRKHFJOUOKGEGL-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989632421 662749820 /nfs/dbraw/zinc/74/98/20/662749820.db2.gz LVZVUSPHGITOAY-NSHDSACASA-N 1 1 322.365 -1.442 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989632421 662749823 /nfs/dbraw/zinc/74/98/23/662749823.db2.gz LVZVUSPHGITOAY-NSHDSACASA-N 1 1 322.365 -1.442 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1ncn[nH]1 ZINC000989658201 662750118 /nfs/dbraw/zinc/75/01/18/662750118.db2.gz UHFAVNISUWIKKU-MNOVXSKESA-N 1 1 321.385 -1.049 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001014424457 662750366 /nfs/dbraw/zinc/75/03/66/662750366.db2.gz BVLGULXYWWJLDR-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001014424457 662750368 /nfs/dbraw/zinc/75/03/68/662750368.db2.gz BVLGULXYWWJLDR-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2CCC[N@@H+](CCO)CC2)nn1 ZINC000989739355 662750712 /nfs/dbraw/zinc/75/07/12/662750712.db2.gz SZDKLBNGCLTLLF-UHFFFAOYSA-N 1 1 324.385 -1.494 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989738814 662750923 /nfs/dbraw/zinc/75/09/23/662750923.db2.gz JZLIHGPQDVGXHR-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989939858 662751967 /nfs/dbraw/zinc/75/19/67/662751967.db2.gz NFTJRQNKWSDQNX-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989939860 662751984 /nfs/dbraw/zinc/75/19/84/662751984.db2.gz NFTJRQNKWSDQNX-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989939843 662752126 /nfs/dbraw/zinc/75/21/26/662752126.db2.gz NEGOLBXCBRGKRD-BREBYQMCSA-N 1 1 307.358 -1.340 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000990120388 662753124 /nfs/dbraw/zinc/75/31/24/662753124.db2.gz GWADUMJGAGELID-SLEUVZQESA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000990120388 662753127 /nfs/dbraw/zinc/75/31/27/662753127.db2.gz GWADUMJGAGELID-SLEUVZQESA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990187224 662755253 /nfs/dbraw/zinc/75/52/53/662755253.db2.gz CPTSXVUHUMMDEV-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990188429 662755663 /nfs/dbraw/zinc/75/56/63/662755663.db2.gz IMAPLZHUMNELNY-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990191097 662755996 /nfs/dbraw/zinc/75/59/96/662755996.db2.gz LXVLPSGQPZLKRU-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190644 662756138 /nfs/dbraw/zinc/75/61/38/662756138.db2.gz KLVAEPICRGFSBA-GFCCVEGCSA-N 1 1 321.385 -1.127 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990287005 662757915 /nfs/dbraw/zinc/75/79/15/662757915.db2.gz NVIFRCHDHRBODA-LBPRGKRZSA-N 1 1 308.338 -1.066 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990287003 662758006 /nfs/dbraw/zinc/75/80/06/662758006.db2.gz NVIFRCHDHRBODA-GFCCVEGCSA-N 1 1 308.338 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3)CCC[C@H]12 ZINC000990275091 662758161 /nfs/dbraw/zinc/75/81/61/662758161.db2.gz DNHWEQMDROFKCG-WFASDCNBSA-N 1 1 310.398 -1.083 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3)CCC[C@H]12 ZINC000990275091 662758165 /nfs/dbraw/zinc/75/81/65/662758165.db2.gz DNHWEQMDROFKCG-WFASDCNBSA-N 1 1 310.398 -1.083 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CCOCC3)CCC[C@H]12 ZINC000990275089 662758367 /nfs/dbraw/zinc/75/83/67/662758367.db2.gz DNHWEQMDROFKCG-SWLSCSKDSA-N 1 1 310.398 -1.083 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CCOCC3)CCC[C@H]12 ZINC000990275089 662758368 /nfs/dbraw/zinc/75/83/68/662758368.db2.gz DNHWEQMDROFKCG-SWLSCSKDSA-N 1 1 310.398 -1.083 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)C1 ZINC000990277247 662758547 /nfs/dbraw/zinc/75/85/47/662758547.db2.gz VOJQUQZFMKSMQG-VXGBXAGGSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)C1 ZINC000990277247 662758550 /nfs/dbraw/zinc/75/85/50/662758550.db2.gz VOJQUQZFMKSMQG-VXGBXAGGSA-N 1 1 313.354 -1.941 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990327686 662759581 /nfs/dbraw/zinc/75/95/81/662759581.db2.gz KWQKFJVKYJKOQV-NOZJJQNGSA-N 1 1 308.342 -1.418 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990327686 662759583 /nfs/dbraw/zinc/75/95/83/662759583.db2.gz KWQKFJVKYJKOQV-NOZJJQNGSA-N 1 1 308.342 -1.418 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnns3)C2)C1 ZINC000990352631 662759754 /nfs/dbraw/zinc/75/97/54/662759754.db2.gz GBCZMFYXNAIMAA-SECBINFHSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnns3)C2)C1 ZINC000990352631 662759757 /nfs/dbraw/zinc/75/97/57/662759757.db2.gz GBCZMFYXNAIMAA-SECBINFHSA-N 1 1 311.367 -1.191 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n(C)n1 ZINC000990376247 662760282 /nfs/dbraw/zinc/76/02/82/662760282.db2.gz YCYBKDHJRVFBNJ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n(C)n1 ZINC000990376247 662760284 /nfs/dbraw/zinc/76/02/84/662760284.db2.gz YCYBKDHJRVFBNJ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)Cn1ncnn1 ZINC000990433247 662761477 /nfs/dbraw/zinc/76/14/77/662761477.db2.gz SYPFOEGXRSDHPU-KOLCDFICSA-N 1 1 318.341 -1.256 20 0 DAADMO Cn1cc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990437927 662761806 /nfs/dbraw/zinc/76/18/06/662761806.db2.gz QRFQTEYSLPOILP-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990437927 662761808 /nfs/dbraw/zinc/76/18/08/662761808.db2.gz QRFQTEYSLPOILP-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990486262 662762901 /nfs/dbraw/zinc/76/29/01/662762901.db2.gz MXVCQLNAXHFJMY-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990486262 662762902 /nfs/dbraw/zinc/76/29/02/662762902.db2.gz MXVCQLNAXHFJMY-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000990496699 662763478 /nfs/dbraw/zinc/76/34/78/662763478.db2.gz WRDIKOUBEXWMPA-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000990496699 662763483 /nfs/dbraw/zinc/76/34/83/662763483.db2.gz WRDIKOUBEXWMPA-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990496738 662763760 /nfs/dbraw/zinc/76/37/60/662763760.db2.gz XAVWOXWSNOHNAQ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCOCC2=O)C1 ZINC000990507354 662763857 /nfs/dbraw/zinc/76/38/57/662763857.db2.gz GOJGESNIPLAJDL-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1=O ZINC000990507621 662763872 /nfs/dbraw/zinc/76/38/72/662763872.db2.gz HCRYVQJPFCGGDB-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCNC2=O)C1 ZINC000990512828 662764003 /nfs/dbraw/zinc/76/40/03/662764003.db2.gz GKONFXVHGFBLEA-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990509693 662764105 /nfs/dbraw/zinc/76/41/05/662764105.db2.gz ZVORZXXPKLDDHK-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000990513036 662764239 /nfs/dbraw/zinc/76/42/39/662764239.db2.gz DTCMTYCHFTZFEA-VHSXEESVSA-N 1 1 323.353 -1.994 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000990520275 662764307 /nfs/dbraw/zinc/76/43/07/662764307.db2.gz XZRLNRFKHWMBSL-LLVKDONJSA-N 1 1 305.338 -1.195 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990518726 662764344 /nfs/dbraw/zinc/76/43/44/662764344.db2.gz QSECPIJTKWQRIG-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000990512635 662764428 /nfs/dbraw/zinc/76/44/28/662764428.db2.gz AGSGWKRDGBSLOS-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000990517806 662764499 /nfs/dbraw/zinc/76/44/99/662764499.db2.gz QKHGIRIGQNUZAU-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000990516047 662764507 /nfs/dbraw/zinc/76/45/07/662764507.db2.gz MNMBJXLMOHBBHI-LLVKDONJSA-N 1 1 315.395 -1.548 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000990520022 662764520 /nfs/dbraw/zinc/76/45/20/662764520.db2.gz VOWDEFZDJFIILL-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000990516133 662764553 /nfs/dbraw/zinc/76/45/53/662764553.db2.gz NLOFMNQVOHHPJY-SNVBAGLBSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000990509819 662764576 /nfs/dbraw/zinc/76/45/76/662764576.db2.gz MFNQZGWIKOYFHM-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000990524164 662765069 /nfs/dbraw/zinc/76/50/69/662765069.db2.gz OKKILRBVLUIVFJ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ccon3)C2)C1 ZINC000990556027 662765216 /nfs/dbraw/zinc/76/52/16/662765216.db2.gz CKDQLZUBAPJSOV-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ccon3)C2)C1 ZINC000990556027 662765221 /nfs/dbraw/zinc/76/52/21/662765221.db2.gz CKDQLZUBAPJSOV-LBPRGKRZSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ccon3)C2)C1 ZINC000990556020 662765274 /nfs/dbraw/zinc/76/52/74/662765274.db2.gz CKDQLZUBAPJSOV-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3ccon3)C2)C1 ZINC000990556020 662765277 /nfs/dbraw/zinc/76/52/77/662765277.db2.gz CKDQLZUBAPJSOV-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990543072 662765412 /nfs/dbraw/zinc/76/54/12/662765412.db2.gz RVFZVENUUAKOEY-SNVBAGLBSA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990543072 662765414 /nfs/dbraw/zinc/76/54/14/662765414.db2.gz RVFZVENUUAKOEY-SNVBAGLBSA-N 1 1 320.353 -1.670 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990596762 662766414 /nfs/dbraw/zinc/76/64/14/662766414.db2.gz HHSKSFHXHRSVRL-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990596762 662766419 /nfs/dbraw/zinc/76/64/19/662766419.db2.gz HHSKSFHXHRSVRL-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000990615182 662766492 /nfs/dbraw/zinc/76/64/92/662766492.db2.gz ARSDTRGGHMZWIF-CMPLNLGQSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000990615182 662766496 /nfs/dbraw/zinc/76/64/96/662766496.db2.gz ARSDTRGGHMZWIF-CMPLNLGQSA-N 1 1 324.381 -1.687 20 0 DAADMO CCn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990615125 662766717 /nfs/dbraw/zinc/76/67/17/662766717.db2.gz AGJPICGEHCJVLD-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990615125 662766720 /nfs/dbraw/zinc/76/67/20/662766720.db2.gz AGJPICGEHCJVLD-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)C1 ZINC000990615164 662766924 /nfs/dbraw/zinc/76/69/24/662766924.db2.gz AQFRQERYBYEZAH-LBPRGKRZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC3(O)CCC3)C2)C1 ZINC000990615164 662766928 /nfs/dbraw/zinc/76/69/28/662766928.db2.gz AQFRQERYBYEZAH-LBPRGKRZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000990616711 662767131 /nfs/dbraw/zinc/76/71/31/662767131.db2.gz KKNJJUOERRZNBM-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000990616711 662767134 /nfs/dbraw/zinc/76/71/34/662767134.db2.gz KKNJJUOERRZNBM-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC000990618709 662767144 /nfs/dbraw/zinc/76/71/44/662767144.db2.gz SOBCAHPNECXCSD-NSHDSACASA-N 1 1 324.337 -1.751 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC000990618709 662767147 /nfs/dbraw/zinc/76/71/47/662767147.db2.gz SOBCAHPNECXCSD-NSHDSACASA-N 1 1 324.337 -1.751 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3=CCOCC3)C2)C1 ZINC000990615595 662767181 /nfs/dbraw/zinc/76/71/81/662767181.db2.gz CZRNKGMUMNQYMR-ZDUSSCGKSA-N 1 1 309.366 -1.009 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C3=CCOCC3)C2)C1 ZINC000990615595 662767183 /nfs/dbraw/zinc/76/71/83/662767183.db2.gz CZRNKGMUMNQYMR-ZDUSSCGKSA-N 1 1 309.366 -1.009 20 0 DAADMO Cn1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990615665 662767253 /nfs/dbraw/zinc/76/72/53/662767253.db2.gz DXLPCJWEWBEFFX-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990615665 662767256 /nfs/dbraw/zinc/76/72/56/662767256.db2.gz DXLPCJWEWBEFFX-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990615267 662767283 /nfs/dbraw/zinc/76/72/83/662767283.db2.gz BCJGYLNBEWFDJU-ZYHUDNBSSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@H](C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990615267 662767287 /nfs/dbraw/zinc/76/72/87/662767287.db2.gz BCJGYLNBEWFDJU-ZYHUDNBSSA-N 1 1 322.369 -1.503 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000990615284 662767350 /nfs/dbraw/zinc/76/73/50/662767350.db2.gz BOHXYWXVNGYGQR-LLVKDONJSA-N 1 1 322.369 -1.687 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000990615284 662767351 /nfs/dbraw/zinc/76/73/51/662767351.db2.gz BOHXYWXVNGYGQR-LLVKDONJSA-N 1 1 322.369 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990616040 662767384 /nfs/dbraw/zinc/76/73/84/662767384.db2.gz GXCXBMTWJKUYLJ-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990616040 662767386 /nfs/dbraw/zinc/76/73/86/662767386.db2.gz GXCXBMTWJKUYLJ-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC000990615535 662767498 /nfs/dbraw/zinc/76/74/98/662767498.db2.gz CQKKYINYCNONLY-VXGBXAGGSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC000990615535 662767501 /nfs/dbraw/zinc/76/75/01/662767501.db2.gz CQKKYINYCNONLY-VXGBXAGGSA-N 1 1 313.354 -1.941 20 0 DAADMO Cc1cnn(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990617609 662767536 /nfs/dbraw/zinc/76/75/36/662767536.db2.gz NZSHUFLNXWRNIO-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1cnn(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990617609 662767542 /nfs/dbraw/zinc/76/75/42/662767542.db2.gz NZSHUFLNXWRNIO-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cncnc3)C2)C1 ZINC000990615564 662767587 /nfs/dbraw/zinc/76/75/87/662767587.db2.gz CSZCYJVTNZMRJN-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cncnc3)C2)C1 ZINC000990615564 662767590 /nfs/dbraw/zinc/76/75/90/662767590.db2.gz CSZCYJVTNZMRJN-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1c(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c[nH]c1=O ZINC000990622504 662768311 /nfs/dbraw/zinc/76/83/11/662768311.db2.gz IKFGSKCXNZBTFK-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1c(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c[nH]c1=O ZINC000990622504 662768312 /nfs/dbraw/zinc/76/83/12/662768312.db2.gz IKFGSKCXNZBTFK-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000990619597 662768366 /nfs/dbraw/zinc/76/83/66/662768366.db2.gz WRXLADOHUOPEFQ-ZDUSSCGKSA-N 1 1 324.381 -1.878 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000990619597 662768369 /nfs/dbraw/zinc/76/83/69/662768369.db2.gz WRXLADOHUOPEFQ-ZDUSSCGKSA-N 1 1 324.381 -1.878 20 0 DAADMO COc1nc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)co1 ZINC000990622714 662768376 /nfs/dbraw/zinc/76/83/76/662768376.db2.gz MODHODIWLBRYPH-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO COc1nc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)co1 ZINC000990622714 662768379 /nfs/dbraw/zinc/76/83/79/662768379.db2.gz MODHODIWLBRYPH-LLVKDONJSA-N 1 1 324.337 -1.046 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC000990617965 662768482 /nfs/dbraw/zinc/76/84/82/662768482.db2.gz PQHXBJLCLOYSNX-NSHDSACASA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC000990617965 662768484 /nfs/dbraw/zinc/76/84/84/662768484.db2.gz PQHXBJLCLOYSNX-NSHDSACASA-N 1 1 323.353 -1.422 20 0 DAADMO Cn1nccc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990620241 662768606 /nfs/dbraw/zinc/76/86/06/662768606.db2.gz ZYQZOSFVBHZCER-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1nccc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990620241 662768608 /nfs/dbraw/zinc/76/86/08/662768608.db2.gz ZYQZOSFVBHZCER-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990619193 662768665 /nfs/dbraw/zinc/76/86/65/662768665.db2.gz VEETVLGCJOWWHE-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990619193 662768667 /nfs/dbraw/zinc/76/86/67/662768667.db2.gz VEETVLGCJOWWHE-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000990628953 662768773 /nfs/dbraw/zinc/76/87/73/662768773.db2.gz HLVJTUCRCRNVQT-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000990627164 662768894 /nfs/dbraw/zinc/76/88/94/662768894.db2.gz XNTWAKALGHYKNX-MNOVXSKESA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000990627164 662768895 /nfs/dbraw/zinc/76/88/95/662768895.db2.gz XNTWAKALGHYKNX-MNOVXSKESA-N 1 1 310.354 -2.220 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000990623125 662768910 /nfs/dbraw/zinc/76/89/10/662768910.db2.gz PIRVLULJIMNPJB-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990624009 662769076 /nfs/dbraw/zinc/76/90/76/662769076.db2.gz PWUHCWPXNFSJLI-SNVBAGLBSA-N 1 1 308.342 -1.616 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990624009 662769078 /nfs/dbraw/zinc/76/90/78/662769078.db2.gz PWUHCWPXNFSJLI-SNVBAGLBSA-N 1 1 308.342 -1.616 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3csnn3)C2)C1 ZINC000990624964 662769095 /nfs/dbraw/zinc/76/90/95/662769095.db2.gz ZZPDPMWCKYRLQJ-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3csnn3)C2)C1 ZINC000990624964 662769098 /nfs/dbraw/zinc/76/90/98/662769098.db2.gz ZZPDPMWCKYRLQJ-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000990624242 662769103 /nfs/dbraw/zinc/76/91/03/662769103.db2.gz VKCAOPVUABTFNM-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000990624242 662769107 /nfs/dbraw/zinc/76/91/07/662769107.db2.gz VKCAOPVUABTFNM-NHYWBVRUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000990624238 662769172 /nfs/dbraw/zinc/76/91/72/662769172.db2.gz VKCAOPVUABTFNM-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000990624238 662769175 /nfs/dbraw/zinc/76/91/75/662769175.db2.gz VKCAOPVUABTFNM-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cnoc3)C2)C1 ZINC000990627206 662769417 /nfs/dbraw/zinc/76/94/17/662769417.db2.gz YDDWLOXIIOZUSC-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cnoc3)C2)C1 ZINC000990627206 662769420 /nfs/dbraw/zinc/76/94/20/662769420.db2.gz YDDWLOXIIOZUSC-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000990628294 662769466 /nfs/dbraw/zinc/76/94/66/662769466.db2.gz GNCNAPLMXNHEAF-LLVKDONJSA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000990628294 662769468 /nfs/dbraw/zinc/76/94/68/662769468.db2.gz GNCNAPLMXNHEAF-LLVKDONJSA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000990632684 662769569 /nfs/dbraw/zinc/76/95/69/662769569.db2.gz SGAWULYVJJRHCE-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000990632684 662769572 /nfs/dbraw/zinc/76/95/72/662769572.db2.gz SGAWULYVJJRHCE-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990632159 662769611 /nfs/dbraw/zinc/76/96/11/662769611.db2.gz RMBNLJIFKPMBJW-WCQYABFASA-N 1 1 310.398 -1.404 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1=O ZINC001014616865 662769785 /nfs/dbraw/zinc/76/97/85/662769785.db2.gz MSXKTYWJWJXNGN-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCN1C(=O)CNC1=O ZINC001038114470 662770002 /nfs/dbraw/zinc/77/00/02/662770002.db2.gz FVFOUJUAEROVKO-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014624841 662770304 /nfs/dbraw/zinc/77/03/04/662770304.db2.gz CAKPWEKJHWQITG-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990717588 662770644 /nfs/dbraw/zinc/77/06/44/662770644.db2.gz ZWNFOKITPFLCJH-GBIKHYSHSA-N 1 1 307.358 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990716146 662770738 /nfs/dbraw/zinc/77/07/38/662770738.db2.gz XGMCSSISOXFWBB-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001038118758 662770928 /nfs/dbraw/zinc/77/09/28/662770928.db2.gz FREHWVHZYQZFEC-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001038118758 662770930 /nfs/dbraw/zinc/77/09/30/662770930.db2.gz FREHWVHZYQZFEC-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)NCCN2CCNC2=O)CC1(C)C ZINC000898692236 662771094 /nfs/dbraw/zinc/77/10/94/662771094.db2.gz NBYINBPFBSAJGB-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)NCCN2CCNC2=O)CC1(C)C ZINC000898692236 662771095 /nfs/dbraw/zinc/77/10/95/662771095.db2.gz NBYINBPFBSAJGB-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000898701104 662771113 /nfs/dbraw/zinc/77/11/13/662771113.db2.gz KFFPWQSASJJWLH-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCNC1=O ZINC000898697072 662771398 /nfs/dbraw/zinc/77/13/98/662771398.db2.gz ORDSFZUXFYMFCD-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO COCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000899252802 662772002 /nfs/dbraw/zinc/77/20/02/662772002.db2.gz JKSJTTYCSCRIBW-OUAUKWLOSA-N 1 1 316.379 -1.263 20 0 DAADMO COCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC000899252802 662772004 /nfs/dbraw/zinc/77/20/04/662772004.db2.gz JKSJTTYCSCRIBW-OUAUKWLOSA-N 1 1 316.379 -1.263 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CCCS1(=O)=O ZINC000900436573 662777562 /nfs/dbraw/zinc/77/75/62/662777562.db2.gz LMJJLUMOYXCZPN-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000899736991 662774806 /nfs/dbraw/zinc/77/48/06/662774806.db2.gz VSPWJJLFXVMFQA-SNVBAGLBSA-N 1 1 309.432 -1.009 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000899741293 662775026 /nfs/dbraw/zinc/77/50/26/662775026.db2.gz PMHVYSLETICFIS-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC000899741913 662775134 /nfs/dbraw/zinc/77/51/34/662775134.db2.gz WADHMSIDFYNUML-UHFFFAOYSA-N 1 1 309.370 -1.033 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990822723 662775751 /nfs/dbraw/zinc/77/57/51/662775751.db2.gz GJJXIKPUUMYGDW-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990822723 662775754 /nfs/dbraw/zinc/77/57/54/662775754.db2.gz GJJXIKPUUMYGDW-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000899987489 662775821 /nfs/dbraw/zinc/77/58/21/662775821.db2.gz SKTLHYKFNPZUCS-BBRMVZONSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000900033156 662776193 /nfs/dbraw/zinc/77/61/93/662776193.db2.gz NDIPPRNLMBXEIC-PWSUYJOCSA-N 1 1 305.400 -1.455 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000900191132 662776443 /nfs/dbraw/zinc/77/64/43/662776443.db2.gz MHKGKIAKDYLMOE-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900191734 662776473 /nfs/dbraw/zinc/77/64/73/662776473.db2.gz DLNNDAWAIHCPMF-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900172251 662776621 /nfs/dbraw/zinc/77/66/21/662776621.db2.gz ZCKSTMHLQWZREX-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CN(CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)S(C)(=O)=O ZINC000900191940 662776704 /nfs/dbraw/zinc/77/67/04/662776704.db2.gz KHNJDPWHNYECKN-JQWIXIFHSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000900191133 662776750 /nfs/dbraw/zinc/77/67/50/662776750.db2.gz MHKGKIAKDYLMOE-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000900497346 662777424 /nfs/dbraw/zinc/77/74/24/662777424.db2.gz GDXHTUUNPMZRDL-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000900497344 662777663 /nfs/dbraw/zinc/77/76/63/662777663.db2.gz GDXHTUUNPMZRDL-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC000900603140 662777936 /nfs/dbraw/zinc/77/79/36/662777936.db2.gz UVWQSPVUQVKEQS-UPJWGTAASA-N 1 1 311.382 -1.099 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O ZINC000900603138 662778081 /nfs/dbraw/zinc/77/80/81/662778081.db2.gz UVWQSPVUQVKEQS-AGIUHOORSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1CCN(C(=O)CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900685713 662778744 /nfs/dbraw/zinc/77/87/44/662778744.db2.gz VCVDFQKNWPBEMN-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000900623148 662778773 /nfs/dbraw/zinc/77/87/73/662778773.db2.gz JQIQCBHRPKHFSB-LLVKDONJSA-N 1 1 305.400 -1.285 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C[C@H]3CC(=O)N3)CC2)CC1 ZINC000900614773 662778852 /nfs/dbraw/zinc/77/88/52/662778852.db2.gz HWFNMJABFVZJLD-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1OCCN(C)C1=O)CN1CC[NH+](C)CC1 ZINC000900693204 662778939 /nfs/dbraw/zinc/77/89/39/662778939.db2.gz OWXOMKUEZODEHD-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900984898 662780210 /nfs/dbraw/zinc/78/02/10/662780210.db2.gz QHDPWLMWKJVTSB-KCQAQPDRSA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900984897 662780304 /nfs/dbraw/zinc/78/03/04/662780304.db2.gz QHDPWLMWKJVTSB-IPYPFGDCSA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900984899 662780322 /nfs/dbraw/zinc/78/03/22/662780322.db2.gz QHDPWLMWKJVTSB-VNHYZAJKSA-N 1 1 315.414 -1.407 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N(CCO)CCN1CCOCC1 ZINC000901143790 662780850 /nfs/dbraw/zinc/78/08/50/662780850.db2.gz RFVICCRKNUJZAR-UKRRQHHQSA-N 1 1 315.414 -1.405 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000901145854 662780963 /nfs/dbraw/zinc/78/09/63/662780963.db2.gz DYUPTOUIHOBUPC-LBPRGKRZSA-N 1 1 319.427 -1.207 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000901175478 662781033 /nfs/dbraw/zinc/78/10/33/662781033.db2.gz PUYDSIIVGSGPFL-HOSYDEDBSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000901175478 662781036 /nfs/dbraw/zinc/78/10/36/662781036.db2.gz PUYDSIIVGSGPFL-HOSYDEDBSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000901139645 662781123 /nfs/dbraw/zinc/78/11/23/662781123.db2.gz SQQYDRVMJHYJOG-KOLCDFICSA-N 1 1 305.400 -1.287 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901139645 662781124 /nfs/dbraw/zinc/78/11/24/662781124.db2.gz SQQYDRVMJHYJOG-KOLCDFICSA-N 1 1 305.400 -1.287 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000901192011 662781185 /nfs/dbraw/zinc/78/11/85/662781185.db2.gz CZACGDUAXCVGEA-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901176305 662781214 /nfs/dbraw/zinc/78/12/14/662781214.db2.gz TVKSOYWYNVCCKO-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901270712 662781317 /nfs/dbraw/zinc/78/13/17/662781317.db2.gz OUKXJKMMSDZPHT-WFASDCNBSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000901340464 662781494 /nfs/dbraw/zinc/78/14/94/662781494.db2.gz YNDWGKRGGRCDLL-DMDPSCGWSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901270710 662781659 /nfs/dbraw/zinc/78/16/59/662781659.db2.gz OUKXJKMMSDZPHT-SWLSCSKDSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000938225194 662781958 /nfs/dbraw/zinc/78/19/58/662781958.db2.gz FUZPSQQQFOECCZ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990907881 662782900 /nfs/dbraw/zinc/78/29/00/662782900.db2.gz CMNHXMMUVUFSBL-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990911381 662783560 /nfs/dbraw/zinc/78/35/60/662783560.db2.gz UJKQJACZKZMEGB-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990915533 662783969 /nfs/dbraw/zinc/78/39/69/662783969.db2.gz QAYXUSOZRHANNZ-CMPLNLGQSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990915533 662783972 /nfs/dbraw/zinc/78/39/72/662783972.db2.gz QAYXUSOZRHANNZ-CMPLNLGQSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990915534 662784056 /nfs/dbraw/zinc/78/40/56/662784056.db2.gz QAYXUSOZRHANNZ-JQWIXIFHSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990915534 662784058 /nfs/dbraw/zinc/78/40/58/662784058.db2.gz QAYXUSOZRHANNZ-JQWIXIFHSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3COCCN3C)C2)C1 ZINC000990932052 662785090 /nfs/dbraw/zinc/78/50/90/662785090.db2.gz WDFRJUMOQVRDHO-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990940189 662785784 /nfs/dbraw/zinc/78/57/84/662785784.db2.gz WEMPWSDRGBJQKB-JTQLQIEISA-N 1 1 308.342 -1.595 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1N ZINC000990956988 662787292 /nfs/dbraw/zinc/78/72/92/662787292.db2.gz VDNRPWFPPXQLFB-NSHDSACASA-N 1 1 322.369 -1.727 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1N ZINC000990956988 662787295 /nfs/dbraw/zinc/78/72/95/662787295.db2.gz VDNRPWFPPXQLFB-NSHDSACASA-N 1 1 322.369 -1.727 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CCOCC1 ZINC000903602025 662789910 /nfs/dbraw/zinc/78/99/10/662789910.db2.gz LRVFYVHBAHHGAL-CYBMUJFWSA-N 1 1 321.443 -1.041 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[NH2+]C[C@@H]2COC)CC1=O ZINC000903597710 662790072 /nfs/dbraw/zinc/79/00/72/662790072.db2.gz DCLFLPNQFLQZQT-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000903598808 662790154 /nfs/dbraw/zinc/79/01/54/662790154.db2.gz QRTMEUYSAPLOKM-NEPJUHHUSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC(COC)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000903786649 662790748 /nfs/dbraw/zinc/79/07/48/662790748.db2.gz NKDXZAHQYXGYCD-UHFFFAOYSA-N 1 1 307.416 -1.433 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000905011923 662793302 /nfs/dbraw/zinc/79/33/02/662793302.db2.gz AFRPXIZEAPDKNN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904991061 662793388 /nfs/dbraw/zinc/79/33/88/662793388.db2.gz SMMNBVKESZPRSH-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCN1 ZINC000904991061 662793393 /nfs/dbraw/zinc/79/33/93/662793393.db2.gz SMMNBVKESZPRSH-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCNC(=O)C1)CCOCCO ZINC000906640929 662795996 /nfs/dbraw/zinc/79/59/96/662795996.db2.gz UQHLTPOULWQCCV-CQSZACIVSA-N 1 1 301.387 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C[C@H]1[NH3+] ZINC000904986940 662793619 /nfs/dbraw/zinc/79/36/19/662793619.db2.gz MBDVWKULVQUMPE-YIYPIFLZSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904989698 662793661 /nfs/dbraw/zinc/79/36/61/662793661.db2.gz NJBCYYRYFIUQLN-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989698 662793665 /nfs/dbraw/zinc/79/36/65/662793665.db2.gz NJBCYYRYFIUQLN-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000904989643 662793711 /nfs/dbraw/zinc/79/37/11/662793711.db2.gz MNJAKSQXIFSVQX-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985348 662793773 /nfs/dbraw/zinc/79/37/73/662793773.db2.gz ACFRJLTULFMHOJ-XQQFMLRXSA-N 1 1 310.398 -1.396 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904991064 662794472 /nfs/dbraw/zinc/79/44/72/662794472.db2.gz SMMNBVKESZPRSH-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCN1 ZINC000904991064 662794476 /nfs/dbraw/zinc/79/44/76/662794476.db2.gz SMMNBVKESZPRSH-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000905021397 662794853 /nfs/dbraw/zinc/79/48/53/662794853.db2.gz KHULOWLKQZNIRQ-WOSRLPQWSA-N 1 1 324.425 -1.157 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000905021397 662794857 /nfs/dbraw/zinc/79/48/57/662794857.db2.gz KHULOWLKQZNIRQ-WOSRLPQWSA-N 1 1 324.425 -1.157 20 0 DAADMO CCCS(=O)(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905346210 662795404 /nfs/dbraw/zinc/79/54/04/662795404.db2.gz YFIJGHVIJYROOI-UHFFFAOYSA-N 1 1 311.429 -1.355 20 0 DAADMO Cn1nccc1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991059638 662795452 /nfs/dbraw/zinc/79/54/52/662795452.db2.gz DSKSVCDIPFGVTC-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1nccc1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991059638 662795455 /nfs/dbraw/zinc/79/54/55/662795455.db2.gz DSKSVCDIPFGVTC-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991069943 662795563 /nfs/dbraw/zinc/79/55/63/662795563.db2.gz SFPUHGJOPJVTMJ-ABAIWWIYSA-N 1 1 324.381 -1.556 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3=O)CCC[C@@H]12 ZINC000991069943 662795566 /nfs/dbraw/zinc/79/55/66/662795566.db2.gz SFPUHGJOPJVTMJ-ABAIWWIYSA-N 1 1 324.381 -1.556 20 0 DAADMO COC(=O)CN(CC(=O)OC)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906533718 662796115 /nfs/dbraw/zinc/79/61/15/662796115.db2.gz NFHSAKAFQNZLES-UHFFFAOYSA-N 1 1 315.370 -1.346 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000906511148 662796339 /nfs/dbraw/zinc/79/63/39/662796339.db2.gz JDLRYXBTIPIDAU-UHFFFAOYSA-N 1 1 319.431 -2.173 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000906749413 662796355 /nfs/dbraw/zinc/79/63/55/662796355.db2.gz KJLSAOXNZOEZIE-LBPRGKRZSA-N 1 1 318.443 -1.241 20 0 DAADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCNC(=O)CO)CC1 ZINC000906880412 662797020 /nfs/dbraw/zinc/79/70/20/662797020.db2.gz RXNBKHNAIHAVDP-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000991089640 662797131 /nfs/dbraw/zinc/79/71/31/662797131.db2.gz PWZIIKYWWFXVSY-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000907453085 662797354 /nfs/dbraw/zinc/79/73/54/662797354.db2.gz UBRREDACPGUVQL-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000907517361 662797748 /nfs/dbraw/zinc/79/77/48/662797748.db2.gz KKLDDQOKLUEOCL-WDEREUQCSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000907517361 662797750 /nfs/dbraw/zinc/79/77/50/662797750.db2.gz KKLDDQOKLUEOCL-WDEREUQCSA-N 1 1 319.427 -1.209 20 0 DAADMO CC1(C)CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@@H+]1CCO ZINC000907592182 662797963 /nfs/dbraw/zinc/79/79/63/662797963.db2.gz CSSBKKVSPWKMNF-UHFFFAOYSA-N 1 1 319.427 -1.207 20 0 DAADMO CC1(C)CN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@H+]1CCO ZINC000907592182 662797966 /nfs/dbraw/zinc/79/79/66/662797966.db2.gz CSSBKKVSPWKMNF-UHFFFAOYSA-N 1 1 319.427 -1.207 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCNC(=O)CO ZINC000907588275 662798131 /nfs/dbraw/zinc/79/81/31/662798131.db2.gz MXENORVYZDIBEG-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907788918 662798811 /nfs/dbraw/zinc/79/88/11/662798811.db2.gz MFLNFLKXYFAASO-GFCCVEGCSA-N 1 1 320.459 -1.028 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907788918 662798818 /nfs/dbraw/zinc/79/88/18/662798818.db2.gz MFLNFLKXYFAASO-GFCCVEGCSA-N 1 1 320.459 -1.028 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907788920 662798834 /nfs/dbraw/zinc/79/88/34/662798834.db2.gz MFLNFLKXYFAASO-LBPRGKRZSA-N 1 1 320.459 -1.028 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907788920 662798836 /nfs/dbraw/zinc/79/88/36/662798836.db2.gz MFLNFLKXYFAASO-LBPRGKRZSA-N 1 1 320.459 -1.028 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000908000087 662799363 /nfs/dbraw/zinc/79/93/63/662799363.db2.gz DDPHVDCRRVKVLC-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000908028439 662799486 /nfs/dbraw/zinc/79/94/86/662799486.db2.gz NRWJTUWCOLXCDC-JQWIXIFHSA-N 1 1 320.415 -1.950 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908029977 662799513 /nfs/dbraw/zinc/79/95/13/662799513.db2.gz UVNGIOKZMZCZBV-LBPRGKRZSA-N 1 1 316.427 -1.616 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)CCNC(=O)CO)CC1(C)C ZINC000908002678 662799537 /nfs/dbraw/zinc/79/95/37/662799537.db2.gz UKPKYLDBARKUKX-UHFFFAOYSA-N 1 1 300.403 -1.373 20 0 DAADMO COC(=O)c1cn(CCNC(=O)C2CN(C)CC[N@@H+](C)C2)nn1 ZINC000908075007 662799961 /nfs/dbraw/zinc/79/99/61/662799961.db2.gz FOUBOWIDBXUJRT-UHFFFAOYSA-N 1 1 324.385 -1.326 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)cc1=O ZINC000991116148 662801048 /nfs/dbraw/zinc/80/10/48/662801048.db2.gz IUGWVCOVYIXNQO-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)cc1=O ZINC000991116148 662801049 /nfs/dbraw/zinc/80/10/49/662801049.db2.gz IUGWVCOVYIXNQO-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991125964 662801956 /nfs/dbraw/zinc/80/19/56/662801956.db2.gz NIBWRZIBICNRIF-GXSJLCMTSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991125965 662802054 /nfs/dbraw/zinc/80/20/54/662802054.db2.gz NIBWRZIBICNRIF-KOLCDFICSA-N 1 1 310.354 -1.094 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908201463 662802348 /nfs/dbraw/zinc/80/23/48/662802348.db2.gz MBQGBBZPPVBDCG-VXGBXAGGSA-N 1 1 317.411 -1.455 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908563950 662802856 /nfs/dbraw/zinc/80/28/56/662802856.db2.gz HROGJQRMLPVBHV-GFCCVEGCSA-N 1 1 320.459 -1.076 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC000991155676 662803158 /nfs/dbraw/zinc/80/31/58/662803158.db2.gz LVZBUZBYSSTRBU-UHFFFAOYSA-N 1 1 322.369 -1.522 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991176605 663126535 /nfs/dbraw/zinc/12/65/35/663126535.db2.gz LVHXHQHNEVRUNS-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991182169 663127220 /nfs/dbraw/zinc/12/72/20/663127220.db2.gz KMRYDWGJFIQGIY-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1c[nH]nc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991242079 663128598 /nfs/dbraw/zinc/12/85/98/663128598.db2.gz LZWWESQVGIPPCR-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]nc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991242079 663128600 /nfs/dbraw/zinc/12/86/00/663128600.db2.gz LZWWESQVGIPPCR-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)Cn2nc(C)oc2=O)CC[N@@H+](C)C1 ZINC000910413010 663129166 /nfs/dbraw/zinc/12/91/66/663129166.db2.gz CYCIFHFCNOLCER-SNVBAGLBSA-N 1 1 312.326 -1.292 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[N@@H+](C)C1 ZINC000910413199 663129254 /nfs/dbraw/zinc/12/92/54/663129254.db2.gz KQDVGYGNXMMAQD-NSHDSACASA-N 1 1 312.370 -2.019 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000991263694 663129456 /nfs/dbraw/zinc/12/94/56/663129456.db2.gz KEBPRNVSVKKGCZ-NSHDSACASA-N 1 1 322.369 -1.687 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000991263694 663129458 /nfs/dbraw/zinc/12/94/58/663129458.db2.gz KEBPRNVSVKKGCZ-NSHDSACASA-N 1 1 322.369 -1.687 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000910571648 663129898 /nfs/dbraw/zinc/12/98/98/663129898.db2.gz FQHFVDHOLJKDCU-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1(C)C ZINC000910605176 663130583 /nfs/dbraw/zinc/13/05/83/663130583.db2.gz VDYMUABQJUMBSH-SNVBAGLBSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1(C)C ZINC000910605176 663130587 /nfs/dbraw/zinc/13/05/87/663130587.db2.gz VDYMUABQJUMBSH-SNVBAGLBSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910603628 663130598 /nfs/dbraw/zinc/13/05/98/663130598.db2.gz FXDWSUMFTBZNPS-ZIBATOQPSA-N 1 1 308.382 -1.257 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000910612685 663130711 /nfs/dbraw/zinc/13/07/11/663130711.db2.gz JGUMJXPTAYATSH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000910612685 663130713 /nfs/dbraw/zinc/13/07/13/663130713.db2.gz JGUMJXPTAYATSH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000910652912 663131365 /nfs/dbraw/zinc/13/13/65/663131365.db2.gz SBIYUZVUOXCQDE-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000910652912 663131366 /nfs/dbraw/zinc/13/13/66/663131366.db2.gz SBIYUZVUOXCQDE-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CNC(=O)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000910729522 663132289 /nfs/dbraw/zinc/13/22/89/663132289.db2.gz MXXJFNOOBQMPNI-MQIPJXDCSA-N 1 1 322.409 -1.009 20 0 DAADMO CCO[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000910736645 663132420 /nfs/dbraw/zinc/13/24/20/663132420.db2.gz KGPMKHXSUJGTFH-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910921003 663134392 /nfs/dbraw/zinc/13/43/92/663134392.db2.gz BYSKRHLSEMMUFM-XQQFMLRXSA-N 1 1 313.398 -1.117 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910922958 663134608 /nfs/dbraw/zinc/13/46/08/663134608.db2.gz IEGTTZLLWLGNAV-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910927937 663134769 /nfs/dbraw/zinc/13/47/69/663134769.db2.gz XCINUUHREYJTSD-NWDGAFQWSA-N 1 1 324.381 -1.998 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910927995 663134939 /nfs/dbraw/zinc/13/49/39/663134939.db2.gz XTOMKVHBFHMQIG-STQMWFEESA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CNOC2)CCCO1 ZINC000910983580 663135181 /nfs/dbraw/zinc/13/51/81/663135181.db2.gz IBCXPPGAQIVDHS-VXGBXAGGSA-N 1 1 314.386 -1.377 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CNOC2)CCCO1 ZINC000910983578 663135489 /nfs/dbraw/zinc/13/54/89/663135489.db2.gz IBCXPPGAQIVDHS-NWDGAFQWSA-N 1 1 314.386 -1.377 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911029504 663135627 /nfs/dbraw/zinc/13/56/27/663135627.db2.gz CLFSOHBURIDUBO-CJNGLKHVSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911031305 663135872 /nfs/dbraw/zinc/13/58/72/663135872.db2.gz PIEROBRLPIUEEG-VXGBXAGGSA-N 1 1 311.430 -1.537 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000911029505 663135996 /nfs/dbraw/zinc/13/59/96/663135996.db2.gz CLFSOHBURIDUBO-CZUORRHYSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911031301 663136091 /nfs/dbraw/zinc/13/60/91/663136091.db2.gz PIEROBRLPIUEEG-NWDGAFQWSA-N 1 1 311.430 -1.537 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911072701 663136263 /nfs/dbraw/zinc/13/62/63/663136263.db2.gz NDDWIBUIRCVZGQ-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000911072701 663136264 /nfs/dbraw/zinc/13/62/64/663136264.db2.gz NDDWIBUIRCVZGQ-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000911073874 663136299 /nfs/dbraw/zinc/13/62/99/663136299.db2.gz XBICDFZDWFFPKM-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 ZINC000911211335 663139494 /nfs/dbraw/zinc/13/94/94/663139494.db2.gz ROHPWHDHAJHMTE-GFCCVEGCSA-N 1 1 307.402 -1.012 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911239890 663139508 /nfs/dbraw/zinc/13/95/08/663139508.db2.gz FKLBSGNDMGPNDT-NWDGAFQWSA-N 1 1 312.414 -1.063 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911239891 663139763 /nfs/dbraw/zinc/13/97/63/663139763.db2.gz FKLBSGNDMGPNDT-RYUDHWBXSA-N 1 1 312.414 -1.063 20 0 DAADMO C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911271279 663140029 /nfs/dbraw/zinc/14/00/29/663140029.db2.gz ZUDFVXYTVHYMSP-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N1CCNC[C@@H]1COC ZINC000911244873 663140417 /nfs/dbraw/zinc/14/04/17/663140417.db2.gz SJPBQKXXNCAZSM-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911275061 663140526 /nfs/dbraw/zinc/14/05/26/663140526.db2.gz UJQODLIBDZVQBK-AGIUHOORSA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CNOC1)CN1CC[NH+](C)CC1 ZINC000911269864 663140560 /nfs/dbraw/zinc/14/05/60/663140560.db2.gz PFWPSKXKMDGXLC-VXGBXAGGSA-N 1 1 313.402 -1.994 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC000911273839 663140704 /nfs/dbraw/zinc/14/07/04/663140704.db2.gz QWZLDAIBXJLWDG-UHFFFAOYSA-N 1 1 304.416 -1.150 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCC(=O)N=S(C)(C)=O)C1 ZINC000911273839 663140709 /nfs/dbraw/zinc/14/07/09/663140709.db2.gz QWZLDAIBXJLWDG-UHFFFAOYSA-N 1 1 304.416 -1.150 20 0 DAADMO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911292127 663141136 /nfs/dbraw/zinc/14/11/36/663141136.db2.gz PAZTZDQYPJBBQO-AGIUHOORSA-N 1 1 312.414 -1.245 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000911257087 663141233 /nfs/dbraw/zinc/14/12/33/663141233.db2.gz DEKCIVKHJADWLR-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911282475 663141522 /nfs/dbraw/zinc/14/15/22/663141522.db2.gz QZZWKCUTDWZGRR-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911282986 663141698 /nfs/dbraw/zinc/14/16/98/663141698.db2.gz FPROWPDVGUUCPL-ZIAGYGMSSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911327309 663141806 /nfs/dbraw/zinc/14/18/06/663141806.db2.gz UJQODLIBDZVQBK-RWMBFGLXSA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911348732 663142381 /nfs/dbraw/zinc/14/23/81/663142381.db2.gz REKAZMTVBQZBQU-DGAVXFQQSA-N 1 1 324.425 -1.089 20 0 DAADMO CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000911346899 663142967 /nfs/dbraw/zinc/14/29/67/663142967.db2.gz RSJZREZGTSZVRM-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000911346899 663142968 /nfs/dbraw/zinc/14/29/68/663142968.db2.gz RSJZREZGTSZVRM-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000911346898 663143178 /nfs/dbraw/zinc/14/31/78/663143178.db2.gz RSJZREZGTSZVRM-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000911346898 663143181 /nfs/dbraw/zinc/14/31/81/663143181.db2.gz RSJZREZGTSZVRM-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911414734 663143703 /nfs/dbraw/zinc/14/37/03/663143703.db2.gz PFEOBXLMFYUZBL-GMTAPVOTSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911414734 663143705 /nfs/dbraw/zinc/14/37/05/663143705.db2.gz PFEOBXLMFYUZBL-GMTAPVOTSA-N 1 1 314.411 -1.298 20 0 DAADMO CN1CCC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411527 663143916 /nfs/dbraw/zinc/14/39/16/663143916.db2.gz PPPOWHNHWGQGOQ-ZDUSSCGKSA-N 1 1 311.430 -1.264 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911414744 663144046 /nfs/dbraw/zinc/14/40/46/663144046.db2.gz PFEOBXLMFYUZBL-OUAUKWLOSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911414744 663144048 /nfs/dbraw/zinc/14/40/48/663144048.db2.gz PFEOBXLMFYUZBL-OUAUKWLOSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911414746 663144199 /nfs/dbraw/zinc/14/41/99/663144199.db2.gz PFEOBXLMFYUZBL-VWYCJHECSA-N 1 1 314.411 -1.298 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911414746 663144200 /nfs/dbraw/zinc/14/42/00/663144200.db2.gz PFEOBXLMFYUZBL-VWYCJHECSA-N 1 1 314.411 -1.298 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)N1CCNC[C@H]1C)C[NH+](C)C ZINC000911433640 663144548 /nfs/dbraw/zinc/14/45/48/663144548.db2.gz COWLTZGMDLSEQX-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)N1CCNC[C@@H]1C)C[NH+](C)C ZINC000911433642 663144793 /nfs/dbraw/zinc/14/47/93/663144793.db2.gz COWLTZGMDLSEQX-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911465549 663145974 /nfs/dbraw/zinc/14/59/74/663145974.db2.gz SXPHOIFEYHQNGM-SDDRHHMPSA-N 1 1 312.370 -1.936 20 0 DAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CNOC1 ZINC000911470916 663146512 /nfs/dbraw/zinc/14/65/12/663146512.db2.gz YTMOSCROFMPABM-QWRGUYRKSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CNOC1 ZINC000911470916 663146514 /nfs/dbraw/zinc/14/65/14/663146514.db2.gz YTMOSCROFMPABM-QWRGUYRKSA-N 1 1 314.386 -1.690 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000911606353 663149876 /nfs/dbraw/zinc/14/98/76/663149876.db2.gz JTQAOLICFLPYKC-WCQYABFASA-N 1 1 313.398 -1.138 20 0 DAADMO CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000911703054 663150504 /nfs/dbraw/zinc/15/05/04/663150504.db2.gz VBDIACBTMUEECA-KBPBESRZSA-N 1 1 323.441 -1.440 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000911859448 663151139 /nfs/dbraw/zinc/15/11/39/663151139.db2.gz SFFYYBMCPMROPS-LLVKDONJSA-N 1 1 301.343 -1.100 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911905546 663151626 /nfs/dbraw/zinc/15/16/26/663151626.db2.gz TUAPDMLXRLFFOA-LLVKDONJSA-N 1 1 303.384 -1.845 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911905546 663151631 /nfs/dbraw/zinc/15/16/31/663151631.db2.gz TUAPDMLXRLFFOA-LLVKDONJSA-N 1 1 303.384 -1.845 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000911901748 663151810 /nfs/dbraw/zinc/15/18/10/663151810.db2.gz LHUAOKKWKMEVEV-BXUZGUMPSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901748 663151814 /nfs/dbraw/zinc/15/18/14/663151814.db2.gz LHUAOKKWKMEVEV-BXUZGUMPSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901748 663151818 /nfs/dbraw/zinc/15/18/18/663151818.db2.gz LHUAOKKWKMEVEV-BXUZGUMPSA-N 1 1 308.386 -1.096 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912396467 663153334 /nfs/dbraw/zinc/15/33/34/663153334.db2.gz PKYRZTKBAFSLRR-NWDGAFQWSA-N 1 1 319.427 -1.592 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912396467 663153336 /nfs/dbraw/zinc/15/33/36/663153336.db2.gz PKYRZTKBAFSLRR-NWDGAFQWSA-N 1 1 319.427 -1.592 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912603459 663153757 /nfs/dbraw/zinc/15/37/57/663153757.db2.gz GFXNFDKMCLRQJN-UHFFFAOYSA-N 1 1 310.420 -1.893 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CCCN1C(=O)CNC1=O ZINC000912610136 663153807 /nfs/dbraw/zinc/15/38/07/663153807.db2.gz DHDWMNJWEJAGCH-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000912599090 663153829 /nfs/dbraw/zinc/15/38/29/663153829.db2.gz IQPUMBZAYVIBTJ-QWHCGFSZSA-N 1 1 323.397 -1.201 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC000912677174 663154331 /nfs/dbraw/zinc/15/43/31/663154331.db2.gz NDOZWHKBUCTSIU-MBNYWOFBSA-N 1 1 309.370 -1.039 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H](CO)C1 ZINC000912736255 663154859 /nfs/dbraw/zinc/15/48/59/663154859.db2.gz QPLKHCVVYNAWHK-NSHDSACASA-N 1 1 309.370 -1.484 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@H](CO)C1 ZINC000912736255 663154863 /nfs/dbraw/zinc/15/48/63/663154863.db2.gz QPLKHCVVYNAWHK-NSHDSACASA-N 1 1 309.370 -1.484 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@@H](CO)C1 ZINC000912735017 663154966 /nfs/dbraw/zinc/15/49/66/663154966.db2.gz UIKVAPGDUGVUHO-XRHZXQNYSA-N 1 1 310.350 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@@H](CO)C1 ZINC000912735017 663154969 /nfs/dbraw/zinc/15/49/69/663154969.db2.gz UIKVAPGDUGVUHO-XRHZXQNYSA-N 1 1 310.350 -1.158 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912747003 663155020 /nfs/dbraw/zinc/15/50/20/663155020.db2.gz XCBKNEOPIPAKBX-GFCCVEGCSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912747003 663155023 /nfs/dbraw/zinc/15/50/23/663155023.db2.gz XCBKNEOPIPAKBX-GFCCVEGCSA-N 1 1 300.403 -1.422 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740904 663155070 /nfs/dbraw/zinc/15/50/70/663155070.db2.gz GPXDQBBEWVONTN-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740904 663155072 /nfs/dbraw/zinc/15/50/72/663155072.db2.gz GPXDQBBEWVONTN-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CO)C1 ZINC000912742827 663155120 /nfs/dbraw/zinc/15/51/20/663155120.db2.gz JFEOAEPOYINTMR-CMPLNLGQSA-N 1 1 307.354 -1.103 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CO)C1 ZINC000912742827 663155121 /nfs/dbraw/zinc/15/51/21/663155121.db2.gz JFEOAEPOYINTMR-CMPLNLGQSA-N 1 1 307.354 -1.103 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](CO)C1 ZINC000912734878 663155129 /nfs/dbraw/zinc/15/51/29/663155129.db2.gz QQKUJOWLIHGFJP-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](CO)C1 ZINC000912734878 663155130 /nfs/dbraw/zinc/15/51/30/663155130.db2.gz QQKUJOWLIHGFJP-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](CO)C1 ZINC000912744790 663155161 /nfs/dbraw/zinc/15/51/61/663155161.db2.gz ZVEZYXCCAWRPMM-LLVKDONJSA-N 1 1 305.338 -1.369 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](CO)C1 ZINC000912744790 663155162 /nfs/dbraw/zinc/15/51/62/663155162.db2.gz ZVEZYXCCAWRPMM-LLVKDONJSA-N 1 1 305.338 -1.369 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740847 663155214 /nfs/dbraw/zinc/15/52/14/663155214.db2.gz FDYIWCWFFDDSHL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740847 663155217 /nfs/dbraw/zinc/15/52/17/663155217.db2.gz FDYIWCWFFDDSHL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739287 663155254 /nfs/dbraw/zinc/15/52/54/663155254.db2.gz VQTJILHIRUKOJF-SNVBAGLBSA-N 1 1 308.404 -2.141 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739287 663155259 /nfs/dbraw/zinc/15/52/59/663155259.db2.gz VQTJILHIRUKOJF-SNVBAGLBSA-N 1 1 308.404 -2.141 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@H](CO)C1 ZINC000912735016 663155312 /nfs/dbraw/zinc/15/53/12/663155312.db2.gz UIKVAPGDUGVUHO-MVIRXUPPSA-N 1 1 310.350 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)[C@H](CO)C1 ZINC000912735016 663155314 /nfs/dbraw/zinc/15/53/14/663155314.db2.gz UIKVAPGDUGVUHO-MVIRXUPPSA-N 1 1 310.350 -1.158 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](CO)C1 ZINC000912749003 663155574 /nfs/dbraw/zinc/15/55/74/663155574.db2.gz MJDBNKGOVGFNJG-NSHDSACASA-N 1 1 317.349 -1.074 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)[C@H](CO)C1 ZINC000912749003 663155577 /nfs/dbraw/zinc/15/55/77/663155577.db2.gz MJDBNKGOVGFNJG-NSHDSACASA-N 1 1 317.349 -1.074 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N(CCO)CCOCCO)C1 ZINC000912771028 663155595 /nfs/dbraw/zinc/15/55/95/663155595.db2.gz QBXKJOOLVMNIDN-UHFFFAOYSA-N 1 1 303.403 -1.690 20 0 DAADMO C[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)[NH+]1CCSCC1 ZINC000913055772 663155955 /nfs/dbraw/zinc/15/59/55/663155955.db2.gz BTPDTDWWWPOVKH-QMMMGPOBSA-N 1 1 308.429 -1.572 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NS(N)(=O)=O)C1)[C@H]1CCSC1 ZINC000913056607 663156208 /nfs/dbraw/zinc/15/62/08/663156208.db2.gz WJNQFNRDPWYUPE-VIFPVBQESA-N 1 1 308.429 -1.572 20 0 DAADMO Cc1sc(=O)n(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)c1C ZINC000913189899 663156380 /nfs/dbraw/zinc/15/63/80/663156380.db2.gz GOPKFIGFPNVEMN-CYBMUJFWSA-N 1 1 315.395 -1.006 20 0 DAADMO COC(=O)CSCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189478 663156497 /nfs/dbraw/zinc/15/64/97/663156497.db2.gz XQHHXFNPMCOGCB-GFCCVEGCSA-N 1 1 306.384 -1.250 20 0 DAADMO O=C(CNC(=O)c1ccccc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913196147 663156560 /nfs/dbraw/zinc/15/65/60/663156560.db2.gz JXCNQNJIWQUZIS-OAHLLOKOSA-N 1 1 307.350 -1.117 20 0 DAADMO CC(C)CN1C[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC000913190605 663156625 /nfs/dbraw/zinc/15/66/25/663156625.db2.gz FHABXRHQAXLIAS-SWLSCSKDSA-N 1 1 313.398 -1.042 20 0 DAADMO CCO[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCOC1 ZINC000913196846 663156662 /nfs/dbraw/zinc/15/66/62/663156662.db2.gz QWIKMVYBPUFEGS-MBNYWOFBSA-N 1 1 302.371 -1.105 20 0 DAADMO COCCn1ncc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1C ZINC000913194765 663156670 /nfs/dbraw/zinc/15/66/70/663156670.db2.gz CGVYKCZRUMMMRS-AWEZNQCLSA-N 1 1 312.370 -1.081 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CNC(=O)c2ccccc21 ZINC000913196562 663156690 /nfs/dbraw/zinc/15/66/90/663156690.db2.gz PWGPOAPFBGASTG-XJKSGUPXSA-N 1 1 319.361 -1.019 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@]2(CO)COCCN2)C1 ZINC000913196914 663156741 /nfs/dbraw/zinc/15/67/41/663156741.db2.gz VFRQIRYEWFHLQR-KGLIPLIRSA-N 1 1 301.387 -1.700 20 0 DAADMO O=C(CNC(=O)c1cccs1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913196800 663156782 /nfs/dbraw/zinc/15/67/82/663156782.db2.gz QFOOEDUBCBXGAQ-ZDUSSCGKSA-N 1 1 313.379 -1.055 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC12COCCN1CCOC2 ZINC000913296766 663156949 /nfs/dbraw/zinc/15/69/49/663156949.db2.gz RUPCEBHXFJMFNQ-OCCSQVGLSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC12COCCN1CCOC2 ZINC000913296764 663157132 /nfs/dbraw/zinc/15/71/32/663157132.db2.gz RUPCEBHXFJMFNQ-GXTWGEPZSA-N 1 1 313.398 -1.341 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000913437417 663157347 /nfs/dbraw/zinc/15/73/47/663157347.db2.gz QJMOZBVVOMFCET-HOTGVXAUSA-N 1 1 322.409 -1.009 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1 ZINC000913437419 663157518 /nfs/dbraw/zinc/15/75/18/663157518.db2.gz QJMOZBVVOMFCET-IYBDPMFKSA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)c1=O ZINC000991473548 663158909 /nfs/dbraw/zinc/15/89/09/663158909.db2.gz ORUVFIUOPXJTOQ-RISCZKNCSA-N 1 1 309.370 -1.313 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC000991483234 663159170 /nfs/dbraw/zinc/15/91/70/663159170.db2.gz LRHWBNLNWRWQEI-GHMZBOCLSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000991483244 663159189 /nfs/dbraw/zinc/15/91/89/663159189.db2.gz LRHWBNLNWRWQEI-QWRGUYRKSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991553168 663162167 /nfs/dbraw/zinc/16/21/67/663162167.db2.gz KULORRKFXMSWDW-VHSXEESVSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC000947313789 663164720 /nfs/dbraw/zinc/16/47/20/663164720.db2.gz CKBCUTQFAAEWRA-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C[C@H](O)CN2CCCC2=O)C1 ZINC001030161593 663167654 /nfs/dbraw/zinc/16/76/54/663167654.db2.gz OCCAQXHDCQSNFU-KBPBESRZSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@H]1CCC(=O)N1 ZINC001030156668 663167675 /nfs/dbraw/zinc/16/76/75/663167675.db2.gz LAUNWZHQQXVELL-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180176 663169622 /nfs/dbraw/zinc/16/96/22/663169622.db2.gz LVIOTPZLGJOUOK-GWCFXTLKSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180176 663169625 /nfs/dbraw/zinc/16/96/25/663169625.db2.gz LVIOTPZLGJOUOK-GWCFXTLKSA-N 1 1 310.398 -1.216 20 0 DAADMO CCn1nncc1CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030184804 663169749 /nfs/dbraw/zinc/16/97/49/663169749.db2.gz YCOSTAZSBRUTJH-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1nncc1CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030184804 663169750 /nfs/dbraw/zinc/16/97/50/663169750.db2.gz YCOSTAZSBRUTJH-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO CC(C)n1nnnc1CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030184084 663170003 /nfs/dbraw/zinc/17/00/03/663170003.db2.gz USNTXGCYOZNDOK-LBPRGKRZSA-N 1 1 323.401 -1.115 20 0 DAADMO CC(C)n1nnnc1CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030184084 663170006 /nfs/dbraw/zinc/17/00/06/663170006.db2.gz USNTXGCYOZNDOK-LBPRGKRZSA-N 1 1 323.401 -1.115 20 0 DAADMO COCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC000991612513 663171362 /nfs/dbraw/zinc/17/13/62/663171362.db2.gz LWJAXMKGVMVWBO-NWDGAFQWSA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@@H]1COC(=O)N1 ZINC001030267011 663173925 /nfs/dbraw/zinc/17/39/25/663173925.db2.gz FQMACFRAPMPVRC-KOLCDFICSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(Cn1ncnn1)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030319718 663178671 /nfs/dbraw/zinc/17/86/71/663178671.db2.gz QRZJXLRPGOMJCP-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)n1 ZINC001030339032 663179890 /nfs/dbraw/zinc/17/98/90/663179890.db2.gz BININPASWJVDHF-NSHDSACASA-N 1 1 322.369 -1.254 20 0 DAADMO O=C(NC1CN(CCn2cncn2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030346574 663181028 /nfs/dbraw/zinc/18/10/28/663181028.db2.gz CBQSAXZDPWLLBK-KBPBESRZSA-N 1 1 320.397 -1.058 20 0 DAADMO Cn1cc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001030347986 663181109 /nfs/dbraw/zinc/18/11/09/663181109.db2.gz QLPUBBMGVZACEH-ZIAGYGMSSA-N 1 1 320.397 -1.021 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1CO ZINC000913555310 663182173 /nfs/dbraw/zinc/18/21/73/663182173.db2.gz ZWHJQRVHFKMNPE-LLVKDONJSA-N 1 1 324.381 -1.014 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1CO ZINC000913555310 663182175 /nfs/dbraw/zinc/18/21/75/663182175.db2.gz ZWHJQRVHFKMNPE-LLVKDONJSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(Cn1nccn1)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030375634 663182464 /nfs/dbraw/zinc/18/24/64/663182464.db2.gz SRJFBWVGPKTFII-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC000991712980 663184492 /nfs/dbraw/zinc/18/44/92/663184492.db2.gz SOCJYNVYBLBDLI-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000991713818 663184745 /nfs/dbraw/zinc/18/47/45/663184745.db2.gz WNJVKEMPFLPFIP-VIFPVBQESA-N 1 1 308.342 -1.738 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991714576 663184904 /nfs/dbraw/zinc/18/49/04/663184904.db2.gz ZIVOAGWSLWWNBO-DGCLKSJQSA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000991714838 663184912 /nfs/dbraw/zinc/18/49/12/663184912.db2.gz HKLZYOJTTMXDIL-SECBINFHSA-N 1 1 323.353 -2.183 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001030398472 663184978 /nfs/dbraw/zinc/18/49/78/663184978.db2.gz HYQLIKVJMMZDQR-SNVBAGLBSA-N 1 1 310.354 -1.618 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000991721133 663186577 /nfs/dbraw/zinc/18/65/77/663186577.db2.gz MJGRFCVLESCPPN-MWLCHTKSSA-N 1 1 309.370 -1.711 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001030403386 663187142 /nfs/dbraw/zinc/18/71/42/663187142.db2.gz NAQXXPBSGUSLCR-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991725886 663187664 /nfs/dbraw/zinc/18/76/64/663187664.db2.gz GLDYRLNJUVYUKR-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000991729103 663188759 /nfs/dbraw/zinc/18/87/59/663188759.db2.gz OCVQUFJYFCPLRJ-MBNYWOFBSA-N 1 1 324.425 -1.016 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1)C1CCC1 ZINC000991742250 663191446 /nfs/dbraw/zinc/19/14/46/663191446.db2.gz MUIHODCCWVLZLH-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000991747593 663192501 /nfs/dbraw/zinc/19/25/01/663192501.db2.gz GDXDWAGAXMZQMD-UHFFFAOYSA-N 1 1 318.341 -1.405 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000991751213 663193063 /nfs/dbraw/zinc/19/30/63/663193063.db2.gz DTUGMISHXIJNDD-JTQLQIEISA-N 1 1 307.310 -1.373 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000991754915 663193822 /nfs/dbraw/zinc/19/38/22/663193822.db2.gz OKKFWRFEDBUWEN-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000991763475 663194151 /nfs/dbraw/zinc/19/41/51/663194151.db2.gz ZYVGPDONPCTEQE-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000991760146 663194280 /nfs/dbraw/zinc/19/42/80/663194280.db2.gz JUPVEXCHFCEPDN-LLVKDONJSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000991760487 663194591 /nfs/dbraw/zinc/19/45/91/663194591.db2.gz AJVKWPCMMXAUCE-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515753 663199661 /nfs/dbraw/zinc/19/96/61/663199661.db2.gz JQQOWJMJNKTCHM-CKYFFXLPSA-N 1 1 323.401 -1.209 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515753 663199662 /nfs/dbraw/zinc/19/96/62/663199662.db2.gz JQQOWJMJNKTCHM-CKYFFXLPSA-N 1 1 323.401 -1.209 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515754 663199686 /nfs/dbraw/zinc/19/96/86/663199686.db2.gz JQQOWJMJNKTCHM-JFGNBEQYSA-N 1 1 323.401 -1.209 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515754 663199687 /nfs/dbraw/zinc/19/96/87/663199687.db2.gz JQQOWJMJNKTCHM-JFGNBEQYSA-N 1 1 323.401 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001030516060 663199693 /nfs/dbraw/zinc/19/96/93/663199693.db2.gz SALWPNDFIORWBO-MWLCHTKSSA-N 1 1 324.385 -1.872 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)O1 ZINC001030516060 663199694 /nfs/dbraw/zinc/19/96/94/663199694.db2.gz SALWPNDFIORWBO-MWLCHTKSSA-N 1 1 324.385 -1.872 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)O1 ZINC001030516058 663199699 /nfs/dbraw/zinc/19/96/99/663199699.db2.gz RYKRPYKJFNNHSQ-KGYLQXTDSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)O1 ZINC001030516058 663199700 /nfs/dbraw/zinc/19/97/00/663199700.db2.gz RYKRPYKJFNNHSQ-KGYLQXTDSA-N 1 1 310.398 -1.216 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)CN2CCN(C)C(=O)C2)C1)OC ZINC001030555975 663200809 /nfs/dbraw/zinc/20/08/09/663200809.db2.gz SETVWOFVRVSHMK-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cn1ncnn1)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000991867622 663202378 /nfs/dbraw/zinc/20/23/78/663202378.db2.gz BDVSTVHCVSDLOO-AWEZNQCLSA-N 1 1 319.369 -1.514 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991872542 663203015 /nfs/dbraw/zinc/20/30/15/663203015.db2.gz QHHJFSMUJFYDCM-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991872542 663203017 /nfs/dbraw/zinc/20/30/17/663203017.db2.gz QHHJFSMUJFYDCM-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991873834 663203550 /nfs/dbraw/zinc/20/35/50/663203550.db2.gz COCGBVUPCLLMJE-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991873831 663203934 /nfs/dbraw/zinc/20/39/34/663203934.db2.gz COCGBVUPCLLMJE-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991877111 663204494 /nfs/dbraw/zinc/20/44/94/663204494.db2.gz AMHLCEXBSLEYCP-ONGXEEELSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC(N)=O ZINC000948006922 663207323 /nfs/dbraw/zinc/20/73/23/663207323.db2.gz MTQJUMVTFZPBAY-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CC(N)=O ZINC000948006922 663207325 /nfs/dbraw/zinc/20/73/25/663207325.db2.gz MTQJUMVTFZPBAY-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@@H+]1CC(N)=O ZINC000948013072 663207703 /nfs/dbraw/zinc/20/77/03/663207703.db2.gz SQKMPGADYZPCCU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(N)=O ZINC000948013072 663207706 /nfs/dbraw/zinc/20/77/06/663207706.db2.gz SQKMPGADYZPCCU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@@H+]1CC(N)=O ZINC000948013074 663208022 /nfs/dbraw/zinc/20/80/22/663208022.db2.gz SQKMPGADYZPCCU-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(N)=O ZINC000948013074 663208023 /nfs/dbraw/zinc/20/80/23/663208023.db2.gz SQKMPGADYZPCCU-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCO ZINC000948010346 663208202 /nfs/dbraw/zinc/20/82/02/663208202.db2.gz ARHCRSNWBQKJKL-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017148 663208658 /nfs/dbraw/zinc/20/86/58/663208658.db2.gz TZJSXZFCIJGCDJ-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC000948015899 663208839 /nfs/dbraw/zinc/20/88/39/663208839.db2.gz JAAIVFRCTSTCJD-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC000948015899 663208844 /nfs/dbraw/zinc/20/88/44/663208844.db2.gz JAAIVFRCTSTCJD-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H]1CO ZINC000913556738 663210106 /nfs/dbraw/zinc/21/01/06/663210106.db2.gz JFQVWNIBHZEKLC-ABAIWWIYSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H]1CO ZINC000913556738 663210114 /nfs/dbraw/zinc/21/01/14/663210114.db2.gz JFQVWNIBHZEKLC-ABAIWWIYSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@H]1CO ZINC000913556741 663210502 /nfs/dbraw/zinc/21/05/02/663210502.db2.gz JFQVWNIBHZEKLC-XHDPSFHLSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@H]1CO ZINC000913556741 663210504 /nfs/dbraw/zinc/21/05/04/663210504.db2.gz JFQVWNIBHZEKLC-XHDPSFHLSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2CS(=O)(=O)C2)C1 ZINC000991919470 663210715 /nfs/dbraw/zinc/21/07/15/663210715.db2.gz MOSNWBRQERHZHM-LLVKDONJSA-N 1 1 315.395 -1.548 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001030684225 663212027 /nfs/dbraw/zinc/21/20/27/663212027.db2.gz QVNLLVNTISSVOY-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)ncc1=O ZINC000991930836 663212341 /nfs/dbraw/zinc/21/23/41/663212341.db2.gz IURGEGZIMZVBMW-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)ncc1=O ZINC000991930836 663212343 /nfs/dbraw/zinc/21/23/43/663212343.db2.gz IURGEGZIMZVBMW-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)ncc1=O ZINC000991930848 663212546 /nfs/dbraw/zinc/21/25/46/663212546.db2.gz IURGEGZIMZVBMW-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)ncc1=O ZINC000991930848 663212555 /nfs/dbraw/zinc/21/25/55/663212555.db2.gz IURGEGZIMZVBMW-XHDPSFHLSA-N 1 1 319.365 -1.008 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991948048 663213366 /nfs/dbraw/zinc/21/33/66/663213366.db2.gz FFKHQEMILLJVME-CMPLNLGQSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991949132 663213495 /nfs/dbraw/zinc/21/34/95/663213495.db2.gz NNOICWYZOFLDOF-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991951159 663214330 /nfs/dbraw/zinc/21/43/30/663214330.db2.gz UMPYUQPHHAYFNC-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO C[C@@H](C(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704749 663214603 /nfs/dbraw/zinc/21/46/03/663214603.db2.gz IKFSVEZRAIJDFK-PULIZBFPSA-N 1 1 308.382 -1.476 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2cnnn2)C1 ZINC000991979801 663215581 /nfs/dbraw/zinc/21/55/81/663215581.db2.gz CKELMZMGHVFQOM-MCIGGMRASA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705724 663215729 /nfs/dbraw/zinc/21/57/29/663215729.db2.gz IVWQRICKCHXJKL-CFFKWZFISA-N 1 1 322.409 -1.216 20 0 DAADMO CNC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705726 663215974 /nfs/dbraw/zinc/21/59/74/663215974.db2.gz IVWQRICKCHXJKL-WXPRMRQPSA-N 1 1 322.409 -1.216 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2ncnn2)C1 ZINC000991994185 663217016 /nfs/dbraw/zinc/21/70/16/663217016.db2.gz QZLFGMNRIJXMFO-MCIGGMRASA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015007761 663219364 /nfs/dbraw/zinc/21/93/64/663219364.db2.gz HHLQGXWVIGZTMO-UWVGGRQHSA-N 1 1 308.342 -2.339 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001015007761 663219371 /nfs/dbraw/zinc/21/93/71/663219371.db2.gz HHLQGXWVIGZTMO-UWVGGRQHSA-N 1 1 308.342 -2.339 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992106264 663220855 /nfs/dbraw/zinc/22/08/55/663220855.db2.gz FESACNIRQHUYGE-ZENOOKHLSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992116968 663221037 /nfs/dbraw/zinc/22/10/37/663221037.db2.gz IDSKQQXWEBKCNJ-KKFJDGPESA-N 1 1 307.358 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992116968 663221042 /nfs/dbraw/zinc/22/10/42/663221042.db2.gz IDSKQQXWEBKCNJ-KKFJDGPESA-N 1 1 307.358 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992115233 663221112 /nfs/dbraw/zinc/22/11/12/663221112.db2.gz BILPKYSIWWRBFV-NOZJJQNGSA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992115233 663221113 /nfs/dbraw/zinc/22/11/13/663221113.db2.gz BILPKYSIWWRBFV-NOZJJQNGSA-N 1 1 307.358 -1.317 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000992112520 663221418 /nfs/dbraw/zinc/22/14/18/663221418.db2.gz DNXRMSZRVNERGD-CXQJBGSLSA-N 1 1 321.385 -1.364 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1CCNC1=O ZINC001030792254 663223558 /nfs/dbraw/zinc/22/35/58/663223558.db2.gz JLLVZXOUZGNBMX-CMPLNLGQSA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992172289 663225100 /nfs/dbraw/zinc/22/51/00/663225100.db2.gz OIELBEVWAZMCJB-BQVMBELUSA-N 1 1 324.381 -1.382 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@H]12 ZINC000992172289 663225101 /nfs/dbraw/zinc/22/51/01/663225101.db2.gz OIELBEVWAZMCJB-BQVMBELUSA-N 1 1 324.381 -1.382 20 0 DAADMO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CC(=O)NC(=O)N1 ZINC000992280218 663228763 /nfs/dbraw/zinc/22/87/63/663228763.db2.gz AMGIKNLDTNDJPZ-RBZYPMLTSA-N 1 1 310.354 -1.310 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000948055655 663228980 /nfs/dbraw/zinc/22/89/80/663228980.db2.gz FETWLUNTAYYMMO-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992286265 663229782 /nfs/dbraw/zinc/22/97/82/663229782.db2.gz HENNFQCHPDEDJY-UINNMSKDSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@H]12 ZINC000992286265 663229783 /nfs/dbraw/zinc/22/97/83/663229783.db2.gz HENNFQCHPDEDJY-UINNMSKDSA-N 1 1 323.353 -1.817 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC000992308203 663231453 /nfs/dbraw/zinc/23/14/53/663231453.db2.gz ABIOWWHSASNIER-YUSALJHKSA-N 1 1 308.382 -1.210 20 0 DAADMO Cn1nnc(C(=O)NCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000992309015 663231844 /nfs/dbraw/zinc/23/18/44/663231844.db2.gz IMHBBEJFDZJJEJ-HSOILSAZSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC[N@H+]1C ZINC000992317295 663232015 /nfs/dbraw/zinc/23/20/15/663232015.db2.gz FKTOYZIFIDRHFY-HKWIRBFKSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992313854 663232019 /nfs/dbraw/zinc/23/20/19/663232019.db2.gz BAYUPPURJIGXDB-XPTSAGLGSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@H]12 ZINC000992313854 663232020 /nfs/dbraw/zinc/23/20/20/663232020.db2.gz BAYUPPURJIGXDB-XPTSAGLGSA-N 1 1 323.353 -1.863 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000992309304 663232208 /nfs/dbraw/zinc/23/22/08/663232208.db2.gz IQQGUXFFMKNDSJ-PSASIEDQSA-N 1 1 307.358 -1.509 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992322717 663232509 /nfs/dbraw/zinc/23/25/09/663232509.db2.gz GWPCKAYWJPHDLI-BONVTDFDSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@H]12 ZINC000992322717 663232514 /nfs/dbraw/zinc/23/25/14/663232514.db2.gz GWPCKAYWJPHDLI-BONVTDFDSA-N 1 1 322.365 -1.362 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992313842 663232657 /nfs/dbraw/zinc/23/26/57/663232657.db2.gz AUPVETJYZIDZKZ-QMTHXVAHSA-N 1 1 310.354 -1.356 20 0 DAADMO Cn1nc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)ccc1=O ZINC000992457246 663235509 /nfs/dbraw/zinc/23/55/09/663235509.db2.gz UDHHEVSMIYSBJT-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1nc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)ccc1=O ZINC000992457246 663235513 /nfs/dbraw/zinc/23/55/13/663235513.db2.gz UDHHEVSMIYSBJT-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000913684382 663235621 /nfs/dbraw/zinc/23/56/21/663235621.db2.gz SDHQHNYNASBWLY-GFCCVEGCSA-N 1 1 312.370 -1.924 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@H]2C1=O ZINC000913751322 663235708 /nfs/dbraw/zinc/23/57/08/663235708.db2.gz ZATHHMWWKVRQRD-TXEJJXNPSA-N 1 1 308.382 -1.447 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913692114 663235792 /nfs/dbraw/zinc/23/57/92/663235792.db2.gz XQCHNWBHRKWHPY-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCC(C)(C)CS(N)(=O)=O)C1 ZINC000913758228 663235860 /nfs/dbraw/zinc/23/58/60/663235860.db2.gz CWBXTKJIFHXIAV-UHFFFAOYSA-N 1 1 320.459 -1.089 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccn2nnnc12 ZINC000913684437 663235892 /nfs/dbraw/zinc/23/58/92/663235892.db2.gz VDPGESIKCHHKTB-UHFFFAOYSA-N 1 1 317.353 -1.030 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992478077 663236359 /nfs/dbraw/zinc/23/63/59/663236359.db2.gz SFRNONXWFRCHIV-IINYFYTJSA-N 1 1 310.354 -1.356 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 ZINC000992466673 663236363 /nfs/dbraw/zinc/23/63/63/663236363.db2.gz SAOUMERULBHYBA-MEBBXXQBSA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 ZINC000992466673 663236364 /nfs/dbraw/zinc/23/63/64/663236364.db2.gz SAOUMERULBHYBA-MEBBXXQBSA-N 1 1 322.365 -1.266 20 0 DAADMO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CCS(=O)(=O)N1 ZINC000992503123 663237396 /nfs/dbraw/zinc/23/73/96/663237396.db2.gz UCAIPYYDWVPCMA-LOWVWBTDSA-N 1 1 317.411 -1.216 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001030959991 663237912 /nfs/dbraw/zinc/23/79/12/663237912.db2.gz NVYMGZGQEPPYCB-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992545016 663238235 /nfs/dbraw/zinc/23/82/35/663238235.db2.gz JAZQXUFNWIDQCL-FEUHOPSXSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992545016 663238242 /nfs/dbraw/zinc/23/82/42/663238242.db2.gz JAZQXUFNWIDQCL-FEUHOPSXSA-N 1 1 322.365 -1.362 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030955964 663238333 /nfs/dbraw/zinc/23/83/33/663238333.db2.gz QGAJHYAXOWBFAT-NSHDSACASA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915904 663238503 /nfs/dbraw/zinc/23/85/03/663238503.db2.gz SBLANKNWEMWLMS-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000913915904 663238509 /nfs/dbraw/zinc/23/85/09/663238509.db2.gz SBLANKNWEMWLMS-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001030959529 663238533 /nfs/dbraw/zinc/23/85/33/663238533.db2.gz JWVXLTIKHIYEMI-SNVBAGLBSA-N 1 1 308.386 -1.249 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030959523 663238562 /nfs/dbraw/zinc/23/85/62/663238562.db2.gz JUABAKSIENJXMO-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000913935371 663238816 /nfs/dbraw/zinc/23/88/16/663238816.db2.gz IVNYEZODFVJOTN-GHMZBOCLSA-N 1 1 321.399 -2.170 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030953354 663238826 /nfs/dbraw/zinc/23/88/26/663238826.db2.gz AHAKRRCFNIBHKA-JTQLQIEISA-N 1 1 308.386 -1.107 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030969023 663239211 /nfs/dbraw/zinc/23/92/11/663239211.db2.gz MPNYVGDPUSGFFD-WCQGTBRESA-N 1 1 308.382 -1.176 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3n[nH]nc3C)C2)C1 ZINC000992581449 663240089 /nfs/dbraw/zinc/24/00/89/663240089.db2.gz MHGPPGIRRYIXKI-NSHDSACASA-N 1 1 322.369 -1.226 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2COCO2)CC1 ZINC000914064390 663240290 /nfs/dbraw/zinc/24/02/90/663240290.db2.gz MKQCKTVKZAAGCK-NSHDSACASA-N 1 1 300.359 -1.177 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000992599905 663241109 /nfs/dbraw/zinc/24/11/09/663241109.db2.gz OMLLUPRMQGILBZ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000992599905 663241110 /nfs/dbraw/zinc/24/11/10/663241110.db2.gz OMLLUPRMQGILBZ-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)C1 ZINC000992605641 663241240 /nfs/dbraw/zinc/24/12/40/663241240.db2.gz CKVYSBIPQQPZSS-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)C1 ZINC000992605641 663241242 /nfs/dbraw/zinc/24/12/42/663241242.db2.gz CKVYSBIPQQPZSS-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)C1 ZINC000992606037 663241286 /nfs/dbraw/zinc/24/12/86/663241286.db2.gz DLLDJFDRUMBZOA-LLVKDONJSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ncn(C)n3)C2)C1 ZINC000992606037 663241290 /nfs/dbraw/zinc/24/12/90/663241290.db2.gz DLLDJFDRUMBZOA-LLVKDONJSA-N 1 1 322.369 -1.524 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599042 663241407 /nfs/dbraw/zinc/24/14/07/663241407.db2.gz LDTZHEMFWNKURP-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)C1 ZINC000992605639 663241437 /nfs/dbraw/zinc/24/14/37/663241437.db2.gz CKVYSBIPQQPZSS-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)C1 ZINC000992605639 663241441 /nfs/dbraw/zinc/24/14/41/663241441.db2.gz CKVYSBIPQQPZSS-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CS(=O)(=O)N1CCCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261964627 663241483 /nfs/dbraw/zinc/24/14/83/663241483.db2.gz AVJXTPOZRQQJRT-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001031039416 663243653 /nfs/dbraw/zinc/24/36/53/663243653.db2.gz HGINTLNXKPUNNK-JTQLQIEISA-N 1 1 320.353 -1.274 20 0 DAADMO O=S(=O)([C@@H]1COC[C@H]1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000914227940 663243697 /nfs/dbraw/zinc/24/36/97/663243697.db2.gz FQTQMOZNUXNEFI-YNEHKIRRSA-N 1 1 320.411 -1.270 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)ncc1=O ZINC001015322589 663243717 /nfs/dbraw/zinc/24/37/17/663243717.db2.gz DCVSVRYASZAQOO-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ncc1=O ZINC001015322589 663243721 /nfs/dbraw/zinc/24/37/21/663243721.db2.gz DCVSVRYASZAQOO-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042136 663244140 /nfs/dbraw/zinc/24/41/40/663244140.db2.gz LJUBVDRBNVMEDG-MRVPVSSYSA-N 1 1 314.317 -1.045 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 ZINC000992794984 663244427 /nfs/dbraw/zinc/24/44/27/663244427.db2.gz ZAGVOIDPFSUIFI-IVZWLZJFSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)n1 ZINC000992794989 663244490 /nfs/dbraw/zinc/24/44/90/663244490.db2.gz ZAGVOIDPFSUIFI-LPEHRKFASA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C(N)=O)C[C@H]32)n1 ZINC000992794993 663244667 /nfs/dbraw/zinc/24/46/67/663244667.db2.gz ZAGVOIDPFSUIFI-OPRDCNLKSA-N 1 1 307.358 -1.588 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992940195 663246339 /nfs/dbraw/zinc/24/63/39/663246339.db2.gz JYBLLPNIDLFVQJ-ZIBATOQPSA-N 1 1 308.382 -1.270 20 0 DAADMO CN1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)S1(=O)=O ZINC001031084695 663246416 /nfs/dbraw/zinc/24/64/16/663246416.db2.gz DSRSPVHYFHQPEO-PWSUYJOCSA-N 1 1 317.411 -1.143 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993011167 663247490 /nfs/dbraw/zinc/24/74/90/663247490.db2.gz HETJWPCQFMWSIC-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993011167 663247494 /nfs/dbraw/zinc/24/74/94/663247494.db2.gz HETJWPCQFMWSIC-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCn1cncn1 ZINC000993010573 663247607 /nfs/dbraw/zinc/24/76/07/663247607.db2.gz GORUDMZYQSIZJI-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510118 663250237 /nfs/dbraw/zinc/25/02/37/663250237.db2.gz RESZWIFSFGVBSS-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510118 663250242 /nfs/dbraw/zinc/25/02/42/663250242.db2.gz RESZWIFSFGVBSS-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015508513 663250625 /nfs/dbraw/zinc/25/06/25/663250625.db2.gz ILDSJSIIKIMVSY-GFCCVEGCSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015508513 663250628 /nfs/dbraw/zinc/25/06/28/663250628.db2.gz ILDSJSIIKIMVSY-GFCCVEGCSA-N 1 1 323.397 -2.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)C(N)=O)C[C@@]2(C)C1 ZINC000993137240 663253343 /nfs/dbraw/zinc/25/33/43/663253343.db2.gz UKDPSFWYPSNYSA-XHDPSFHLSA-N 1 1 319.365 -1.016 20 0 DAADMO NC(=O)C1=NO[C@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000788032010 663253408 /nfs/dbraw/zinc/25/34/08/663253408.db2.gz VJRSNPPINQBZBM-JTQLQIEISA-N 1 1 313.358 -1.362 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1=O ZINC001015569446 663253601 /nfs/dbraw/zinc/25/36/01/663253601.db2.gz RUDGTWXNHAGCTP-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1=O ZINC001015569457 663253752 /nfs/dbraw/zinc/25/37/52/663253752.db2.gz RUDGTWXNHAGCTP-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCN(CCNS(=O)(=O)[C@@H]2COC[C@H]2O)CC1(C)C ZINC000915225981 663254990 /nfs/dbraw/zinc/25/49/90/663254990.db2.gz SGMHJEZFNHZVBY-VXGBXAGGSA-N 1 1 321.443 -1.309 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](CCOC)CC1 ZINC000731758735 663255856 /nfs/dbraw/zinc/25/58/56/663255856.db2.gz GGYFBJVFCWNRPZ-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC000993204966 663255753 /nfs/dbraw/zinc/25/57/53/663255753.db2.gz RPVCBQDAHMYBIQ-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC000993204966 663255756 /nfs/dbraw/zinc/25/57/56/663255756.db2.gz RPVCBQDAHMYBIQ-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H]1C ZINC000993204964 663256182 /nfs/dbraw/zinc/25/61/82/663256182.db2.gz RPVCBQDAHMYBIQ-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H]1C ZINC000993204964 663256185 /nfs/dbraw/zinc/25/61/85/663256185.db2.gz RPVCBQDAHMYBIQ-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3COC[C@H]3O)[C@H]2C1 ZINC000915433424 663256517 /nfs/dbraw/zinc/25/65/17/663256517.db2.gz XKXVWMPSUGNCQL-IRCOFANPSA-N 1 1 306.384 -1.519 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634531 663257665 /nfs/dbraw/zinc/25/76/65/663257665.db2.gz MEBSWULYZXJROD-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634531 663257668 /nfs/dbraw/zinc/25/76/68/663257668.db2.gz MEBSWULYZXJROD-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634534 663257837 /nfs/dbraw/zinc/25/78/37/663257837.db2.gz MEBSWULYZXJROD-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634534 663257840 /nfs/dbraw/zinc/25/78/40/663257840.db2.gz MEBSWULYZXJROD-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015638653 663258305 /nfs/dbraw/zinc/25/83/05/663258305.db2.gz ZRMSKMBQLJUDJZ-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882032 663258773 /nfs/dbraw/zinc/25/87/73/663258773.db2.gz POQHVHWPTJAWMQ-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642403 663258977 /nfs/dbraw/zinc/25/89/77/663258977.db2.gz WALPCAIODUZYSA-IUCAKERBSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001015642403 663258982 /nfs/dbraw/zinc/25/89/82/663258982.db2.gz WALPCAIODUZYSA-IUCAKERBSA-N 1 1 312.326 -2.828 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000915500293 663259452 /nfs/dbraw/zinc/25/94/52/663259452.db2.gz IZLMRDOWFKOHQS-LLVKDONJSA-N 1 1 320.415 -1.348 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993337747 663260712 /nfs/dbraw/zinc/26/07/12/663260712.db2.gz BNSUJGVZWDZPLA-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993337747 663260714 /nfs/dbraw/zinc/26/07/14/663260714.db2.gz BNSUJGVZWDZPLA-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993331734 663260927 /nfs/dbraw/zinc/26/09/27/663260927.db2.gz LSJHEXFUQAQAIE-HFAKWTLXSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993331734 663260929 /nfs/dbraw/zinc/26/09/29/663260929.db2.gz LSJHEXFUQAQAIE-HFAKWTLXSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993331736 663260950 /nfs/dbraw/zinc/26/09/50/663260950.db2.gz LSJHEXFUQAQAIE-ZETOZRRWSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993331736 663260951 /nfs/dbraw/zinc/26/09/51/663260951.db2.gz LSJHEXFUQAQAIE-ZETOZRRWSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCCO ZINC000993336122 663261363 /nfs/dbraw/zinc/26/13/63/663261363.db2.gz LPIMALFBSBVFDZ-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCCO ZINC000993336123 663261772 /nfs/dbraw/zinc/26/17/72/663261772.db2.gz LPIMALFBSBVFDZ-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC000993343143 663261781 /nfs/dbraw/zinc/26/17/81/663261781.db2.gz NXGQVYXZQWOZAW-ABAIWWIYSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CCn1cncn1 ZINC000993345687 663261869 /nfs/dbraw/zinc/26/18/69/663261869.db2.gz FNYPMAVLYAHSAT-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993346081 663262349 /nfs/dbraw/zinc/26/23/49/663262349.db2.gz GCNQPFUYQYQLGZ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993346081 663262350 /nfs/dbraw/zinc/26/23/50/663262350.db2.gz GCNQPFUYQYQLGZ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCCS2(=O)=O)CCC[N@H+]1CCO ZINC000993393884 663263028 /nfs/dbraw/zinc/26/30/28/663263028.db2.gz JJHZVWXOMGJGDN-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CCC[N@H+]1CCO ZINC000993393881 663263128 /nfs/dbraw/zinc/26/31/28/663263128.db2.gz JJHZVWXOMGJGDN-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCNC(=O)CNC(=S)NCCC[NH+]1CCOCC1 ZINC000732828052 663264403 /nfs/dbraw/zinc/26/44/03/663264403.db2.gz FNPKLQQIPVAWHS-UHFFFAOYSA-N 1 1 318.443 -1.065 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993438803 663264434 /nfs/dbraw/zinc/26/44/34/663264434.db2.gz BXTRMGHFNGVONU-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993438803 663264438 /nfs/dbraw/zinc/26/44/38/663264438.db2.gz BXTRMGHFNGVONU-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CCCO ZINC000993511014 663266232 /nfs/dbraw/zinc/26/62/32/663266232.db2.gz LYCFBAHRMIWENJ-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CCCO ZINC000993511009 663266475 /nfs/dbraw/zinc/26/64/75/663266475.db2.gz LYCFBAHRMIWENJ-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993518562 663266624 /nfs/dbraw/zinc/26/66/24/663266624.db2.gz ZJKAHWIUYDXTEH-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993518562 663266625 /nfs/dbraw/zinc/26/66/25/663266625.db2.gz ZJKAHWIUYDXTEH-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC000993512110 663267546 /nfs/dbraw/zinc/26/75/46/663267546.db2.gz NHYVIWDVNFOTOX-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC000993512110 663267548 /nfs/dbraw/zinc/26/75/48/663267548.db2.gz NHYVIWDVNFOTOX-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(NC1CN(C(=O)c2nc[nH]n2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993581449 663267737 /nfs/dbraw/zinc/26/77/37/663267737.db2.gz ROXPHCCJCRUJFG-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1=O ZINC000993790251 663268733 /nfs/dbraw/zinc/26/87/33/663268733.db2.gz MNUVQBYYAXWPDO-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1=O ZINC000993790247 663268768 /nfs/dbraw/zinc/26/87/68/663268768.db2.gz MNUVQBYYAXWPDO-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015683024 663268865 /nfs/dbraw/zinc/26/88/65/663268865.db2.gz ZQOWILQIHSEMEM-SSDOTTSWSA-N 1 1 303.344 -2.147 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@@H+]1CC(N)=O ZINC000993700140 663269059 /nfs/dbraw/zinc/26/90/59/663269059.db2.gz LILFTYKSFDUSQD-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CC(N)=O ZINC000993700140 663269060 /nfs/dbraw/zinc/26/90/60/663269060.db2.gz LILFTYKSFDUSQD-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000993782685 663269817 /nfs/dbraw/zinc/26/98/17/663269817.db2.gz CDWUFMGVBFAONJ-ZYHUDNBSSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000993782685 663269822 /nfs/dbraw/zinc/26/98/22/663269822.db2.gz CDWUFMGVBFAONJ-ZYHUDNBSSA-N 1 1 324.381 -1.878 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000993822828 663271082 /nfs/dbraw/zinc/27/10/82/663271082.db2.gz ZSPZKHVBVUMVFJ-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993907892 663271927 /nfs/dbraw/zinc/27/19/27/663271927.db2.gz UXRWKDNTDBJPSR-CMPLNLGQSA-N 1 1 324.381 -1.341 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994108563 663276855 /nfs/dbraw/zinc/27/68/55/663276855.db2.gz XSJNWHZVINKQFF-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994107335 663276932 /nfs/dbraw/zinc/27/69/32/663276932.db2.gz PDJNCHVFLNNTFO-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994107335 663276937 /nfs/dbraw/zinc/27/69/37/663276937.db2.gz PDJNCHVFLNNTFO-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+](C)C1 ZINC000916302772 663280257 /nfs/dbraw/zinc/28/02/57/663280257.db2.gz JXLKPECIKOTNSP-HBNTYKKESA-N 1 1 322.383 -1.888 20 0 DAADMO COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+](C)C1 ZINC000916302772 663280258 /nfs/dbraw/zinc/28/02/58/663280258.db2.gz JXLKPECIKOTNSP-HBNTYKKESA-N 1 1 322.383 -1.888 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CCO)[C@H]2C)c(=O)n1C ZINC000994328740 663282045 /nfs/dbraw/zinc/28/20/45/663282045.db2.gz MOKKWJFMUJOKKU-JQWIXIFHSA-N 1 1 311.386 -1.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160478 663282395 /nfs/dbraw/zinc/28/23/95/663282395.db2.gz KBZSBGVKSJJDGH-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160478 663282398 /nfs/dbraw/zinc/28/23/98/663282398.db2.gz KBZSBGVKSJJDGH-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@H]2C)c(=O)n1C ZINC000994299128 663282615 /nfs/dbraw/zinc/28/26/15/663282615.db2.gz TTYKPKDQEFVUBN-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)c(=O)n1C ZINC000994299128 663282617 /nfs/dbraw/zinc/28/26/17/663282617.db2.gz TTYKPKDQEFVUBN-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994371596 663282916 /nfs/dbraw/zinc/28/29/16/663282916.db2.gz HCIAQEMMFBBGDG-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994371596 663282922 /nfs/dbraw/zinc/28/29/22/663282922.db2.gz HCIAQEMMFBBGDG-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@@H+]1CC(N)=O ZINC000994369281 663283247 /nfs/dbraw/zinc/28/32/47/663283247.db2.gz XKAOVICNTKAYIC-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CC(N)=O ZINC000994369281 663283251 /nfs/dbraw/zinc/28/32/51/663283251.db2.gz XKAOVICNTKAYIC-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994371599 663283582 /nfs/dbraw/zinc/28/35/82/663283582.db2.gz HCIAQEMMFBBGDG-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994371599 663283584 /nfs/dbraw/zinc/28/35/84/663283584.db2.gz HCIAQEMMFBBGDG-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@@H+]1CC(N)=O ZINC000994370995 663283591 /nfs/dbraw/zinc/28/35/91/663283591.db2.gz FVSDHZKXDHZICH-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@H+]1CC(N)=O ZINC000994370995 663283592 /nfs/dbraw/zinc/28/35/92/663283592.db2.gz FVSDHZKXDHZICH-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994371603 663283595 /nfs/dbraw/zinc/28/35/95/663283595.db2.gz HCIAQEMMFBBGDG-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994371603 663283596 /nfs/dbraw/zinc/28/35/96/663283596.db2.gz HCIAQEMMFBBGDG-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO COC[C@H](CS(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)OC ZINC000917067220 663285908 /nfs/dbraw/zinc/28/59/08/663285908.db2.gz ZROSDTUHSLFJQY-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO COC[C@H](CS(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2)OC ZINC000917067220 663285910 /nfs/dbraw/zinc/28/59/10/663285910.db2.gz ZROSDTUHSLFJQY-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917061687 663286034 /nfs/dbraw/zinc/28/60/34/663286034.db2.gz OSDUOFFDYLQKEY-NWDGAFQWSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917061687 663286036 /nfs/dbraw/zinc/28/60/36/663286036.db2.gz OSDUOFFDYLQKEY-NWDGAFQWSA-N 1 1 318.443 -1.228 20 0 DAADMO COCCN(C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917050121 663286100 /nfs/dbraw/zinc/28/61/00/663286100.db2.gz AAXOJXYSSOVZCY-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO COCCN(C)S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917050121 663286102 /nfs/dbraw/zinc/28/61/02/663286102.db2.gz AAXOJXYSSOVZCY-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994490603 663287709 /nfs/dbraw/zinc/28/77/09/663287709.db2.gz VZPOTBUPRWXGIN-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001031385868 663289192 /nfs/dbraw/zinc/28/91/92/663289192.db2.gz QQOVUARTWSTKTL-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001031384337 663289259 /nfs/dbraw/zinc/28/92/59/663289259.db2.gz CRLUKCXJWOJZRE-SNVBAGLBSA-N 1 1 309.370 -1.710 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000917363241 663289515 /nfs/dbraw/zinc/28/95/15/663289515.db2.gz LLQXTJDXVAVOGA-GHMZBOCLSA-N 1 1 323.415 -1.972 20 0 DAADMO O=C(NC1C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001031402380 663290072 /nfs/dbraw/zinc/29/00/72/663290072.db2.gz GAZODVRTBCZVEQ-PWSUYJOCSA-N 1 1 317.411 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031417763 663291774 /nfs/dbraw/zinc/29/17/74/663291774.db2.gz ANSLLNUPFAOZBK-CYBMUJFWSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031417763 663291777 /nfs/dbraw/zinc/29/17/77/663291777.db2.gz ANSLLNUPFAOZBK-CYBMUJFWSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418054 663292066 /nfs/dbraw/zinc/29/20/66/663292066.db2.gz HBTQDTKTWZSVBA-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031418054 663292071 /nfs/dbraw/zinc/29/20/71/663292071.db2.gz HBTQDTKTWZSVBA-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nncn3C)C2)C1 ZINC001031419425 663292753 /nfs/dbraw/zinc/29/27/53/663292753.db2.gz CFQQIVZHLFWKDT-GFCCVEGCSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nncn3C)C2)C1 ZINC001031419425 663292757 /nfs/dbraw/zinc/29/27/57/663292757.db2.gz CFQQIVZHLFWKDT-GFCCVEGCSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)C1 ZINC001031419415 663293090 /nfs/dbraw/zinc/29/30/90/663293090.db2.gz ZXECQYKIISZWRR-CMPLNLGQSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H](C)c3nnnn3C)C2)C1 ZINC001031419415 663293095 /nfs/dbraw/zinc/29/30/95/663293095.db2.gz ZXECQYKIISZWRR-CMPLNLGQSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)C1 ZINC001031419374 663293154 /nfs/dbraw/zinc/29/31/54/663293154.db2.gz YXAKWTBWKKCERQ-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3cnn(C)n3)C2)C1 ZINC001031419374 663293155 /nfs/dbraw/zinc/29/31/55/663293155.db2.gz YXAKWTBWKKCERQ-CYBMUJFWSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cnccn1 ZINC001031523446 663297487 /nfs/dbraw/zinc/29/74/87/663297487.db2.gz GOWGLLYVTGBUKM-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001031539654 663298755 /nfs/dbraw/zinc/29/87/55/663298755.db2.gz OLJOLOYOXMIXLL-NSHDSACASA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1COCCO1 ZINC001031556659 663298949 /nfs/dbraw/zinc/29/89/49/663298949.db2.gz BDDQDBFRSFBKQO-QWRGUYRKSA-N 1 1 311.338 -1.745 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)[C@H]1CCOC1 ZINC000919295718 663300258 /nfs/dbraw/zinc/30/02/58/663300258.db2.gz BEZBNQYCDPKBHG-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001031593627 663300574 /nfs/dbraw/zinc/30/05/74/663300574.db2.gz GATKHCIWEMZAAD-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001031593627 663300577 /nfs/dbraw/zinc/30/05/77/663300577.db2.gz GATKHCIWEMZAAD-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031585035 663300678 /nfs/dbraw/zinc/30/06/78/663300678.db2.gz OOTCDXVUVSUQLO-NXEZZACHSA-N 1 1 308.338 -1.882 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000924020958 663301020 /nfs/dbraw/zinc/30/10/20/663301020.db2.gz JMJVKPRNTNDKRH-WDEREUQCSA-N 1 1 317.415 -1.376 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000924020952 663301037 /nfs/dbraw/zinc/30/10/37/663301037.db2.gz JMJVKPRNTNDKRH-GHMZBOCLSA-N 1 1 317.415 -1.376 20 0 DAADMO Cn1nncc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031594742 663301709 /nfs/dbraw/zinc/30/17/09/663301709.db2.gz KGAHYCUPJHJKNG-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1nncc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031594742 663301714 /nfs/dbraw/zinc/30/17/14/663301714.db2.gz KGAHYCUPJHJKNG-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)CCO3)C2)C1=O ZINC001031595935 663301826 /nfs/dbraw/zinc/30/18/26/663301826.db2.gz CSUUJOQYIRRJLD-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595977 663301880 /nfs/dbraw/zinc/30/18/80/663301880.db2.gz DMZSPKFOAKPYMN-CMPLNLGQSA-N 1 1 323.401 -1.350 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595977 663301882 /nfs/dbraw/zinc/30/18/82/663301882.db2.gz DMZSPKFOAKPYMN-CMPLNLGQSA-N 1 1 323.401 -1.350 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)C1 ZINC001031597245 663301980 /nfs/dbraw/zinc/30/19/80/663301980.db2.gz XRTYPIYLKVUDFV-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001031596698 663302084 /nfs/dbraw/zinc/30/20/84/663302084.db2.gz NIURVKUVFCLRIH-WCQYABFASA-N 1 1 312.414 -1.158 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)C1=O ZINC001031611230 663302583 /nfs/dbraw/zinc/30/25/83/663302583.db2.gz FQAVUNUBNDTKIN-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031622318 663303544 /nfs/dbraw/zinc/30/35/44/663303544.db2.gz YVGMHAXUDZMOAF-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(=O)n(C)o3)C2)C1=O ZINC001031634396 663303729 /nfs/dbraw/zinc/30/37/29/663303729.db2.gz XQPRTSPNKABPIK-JTQLQIEISA-N 1 1 308.338 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)C1 ZINC001031635998 663303931 /nfs/dbraw/zinc/30/39/31/663303931.db2.gz JPRCWKHQXOPBAI-CYBMUJFWSA-N 1 1 308.382 -1.257 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031625401 663304055 /nfs/dbraw/zinc/30/40/55/663304055.db2.gz XYVNUAPXJYCFSM-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031625399 663304067 /nfs/dbraw/zinc/30/40/67/663304067.db2.gz XYVNUAPXJYCFSM-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1oc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)cc1=O ZINC001031636578 663304096 /nfs/dbraw/zinc/30/40/96/663304096.db2.gz GPYBELYPVTZFKD-SECBINFHSA-N 1 1 322.321 -1.555 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1=O ZINC001031647570 663304806 /nfs/dbraw/zinc/30/48/06/663304806.db2.gz OBBIAWJOIRWSJA-QWRGUYRKSA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1COC(=O)N1 ZINC001031646422 663305012 /nfs/dbraw/zinc/30/50/12/663305012.db2.gz CARSIBBRKXSBOP-IUCAKERBSA-N 1 1 310.310 -2.052 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(CCOC)nn2)C1 ZINC001031660013 663305614 /nfs/dbraw/zinc/30/56/14/663305614.db2.gz AEQBEGLGDTZHOD-LBPRGKRZSA-N 1 1 324.385 -1.150 20 0 DAADMO CCn1nncc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031654782 663305701 /nfs/dbraw/zinc/30/57/01/663305701.db2.gz IMBLHFBPBOSLTR-SNVBAGLBSA-N 1 1 320.353 -1.235 20 0 DAADMO CCn1nncc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031654781 663305883 /nfs/dbraw/zinc/30/58/83/663305883.db2.gz IMBLHFBPBOSLTR-JTQLQIEISA-N 1 1 320.353 -1.235 20 0 DAADMO Cc1c(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000920527641 663306119 /nfs/dbraw/zinc/30/61/19/663306119.db2.gz QOJGSZUFSXQZJR-UHFFFAOYSA-N 1 1 315.399 -1.219 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001038585198 663307464 /nfs/dbraw/zinc/30/74/64/663307464.db2.gz ABOWSPZCGZCWIO-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001038585198 663307467 /nfs/dbraw/zinc/30/74/67/663307467.db2.gz ABOWSPZCGZCWIO-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000994712112 663307890 /nfs/dbraw/zinc/30/78/90/663307890.db2.gz JBDDXFWXJDTOSG-UWVGGRQHSA-N 1 1 320.361 -1.729 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC000948069354 663308105 /nfs/dbraw/zinc/30/81/05/663308105.db2.gz GEGHLJZLEHBUOJ-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CN1CC[C@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000921414955 663309312 /nfs/dbraw/zinc/30/93/12/663309312.db2.gz ASVINKFGFFIOGM-QMMMGPOBSA-N 1 1 302.356 -1.934 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000994722435 663309956 /nfs/dbraw/zinc/30/99/56/663309956.db2.gz AJPWNIGNHOZZBN-VHSXEESVSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)NC1=O ZINC001038586639 663310022 /nfs/dbraw/zinc/31/00/22/663310022.db2.gz LHMMMQSFCSEMTO-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)NC1=O ZINC001038586639 663310023 /nfs/dbraw/zinc/31/00/23/663310023.db2.gz LHMMMQSFCSEMTO-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837600 663311329 /nfs/dbraw/zinc/31/13/29/663311329.db2.gz WJAQENCIEYSPSN-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837600 663311331 /nfs/dbraw/zinc/31/13/31/663311331.db2.gz WJAQENCIEYSPSN-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)C1=O ZINC001031712915 663311729 /nfs/dbraw/zinc/31/17/29/663311729.db2.gz LABDPXVCNGPPQG-NEPJUHHUSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1CCNC1=O ZINC001038587011 663312064 /nfs/dbraw/zinc/31/20/64/663312064.db2.gz NDLZHIUACNELQO-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1CCNC1=O ZINC001038587011 663312070 /nfs/dbraw/zinc/31/20/70/663312070.db2.gz NDLZHIUACNELQO-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842709 663312430 /nfs/dbraw/zinc/31/24/30/663312430.db2.gz PYBPPFDVAUZFSV-NXEZZACHSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842709 663312433 /nfs/dbraw/zinc/31/24/33/663312433.db2.gz PYBPPFDVAUZFSV-NXEZZACHSA-N 1 1 310.354 -1.506 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000994793025 663313489 /nfs/dbraw/zinc/31/34/89/663313489.db2.gz AJQKBOSVRPKPQC-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000994793029 663313825 /nfs/dbraw/zinc/31/38/25/663313825.db2.gz AJQKBOSVRPKPQC-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000938406354 663316524 /nfs/dbraw/zinc/31/65/24/663316524.db2.gz VOINNDHIULWRTA-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000938411965 663317919 /nfs/dbraw/zinc/31/79/19/663317919.db2.gz WGHHDPUZLGSZTA-QJPTWQEYSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000938410651 663318153 /nfs/dbraw/zinc/31/81/53/663318153.db2.gz HMTSFNWHYGHFDG-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000938464201 663318309 /nfs/dbraw/zinc/31/83/09/663318309.db2.gz SPEFJZJDXQQUMT-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000938464201 663318315 /nfs/dbraw/zinc/31/83/15/663318315.db2.gz SPEFJZJDXQQUMT-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000938464200 663318691 /nfs/dbraw/zinc/31/86/91/663318691.db2.gz SPEFJZJDXQQUMT-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000938464200 663318696 /nfs/dbraw/zinc/31/86/96/663318696.db2.gz SPEFJZJDXQQUMT-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000938460337 663320579 /nfs/dbraw/zinc/32/05/79/663320579.db2.gz DXEDOWIGXWJULE-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)O1 ZINC000994840639 663321865 /nfs/dbraw/zinc/32/18/65/663321865.db2.gz RLAVVOLPHAKXGQ-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)O1 ZINC000994840639 663321868 /nfs/dbraw/zinc/32/18/68/663321868.db2.gz RLAVVOLPHAKXGQ-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)O1 ZINC000994845614 663323134 /nfs/dbraw/zinc/32/31/34/663323134.db2.gz RBAFVCPEFSERIV-MBNYWOFBSA-N 1 1 324.425 -1.016 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938573177 663326331 /nfs/dbraw/zinc/32/63/31/663326331.db2.gz ZYWXZXQUROIWOA-GARJFASQSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938565695 663326951 /nfs/dbraw/zinc/32/69/51/663326951.db2.gz AMMDNRHXMKMSHG-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000938575128 663327147 /nfs/dbraw/zinc/32/71/47/663327147.db2.gz VQOHLRKEMGAJQF-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)CC2 ZINC000938582425 663328326 /nfs/dbraw/zinc/32/83/26/663328326.db2.gz PTJGDNDTFVEPJZ-MNOVXSKESA-N 1 1 319.365 -1.044 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938586174 663329334 /nfs/dbraw/zinc/32/93/34/663329334.db2.gz KNVXGWHHQROJLN-WDEREUQCSA-N 1 1 322.369 -1.984 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)O1 ZINC000994850537 663330265 /nfs/dbraw/zinc/33/02/65/663330265.db2.gz OFRSCKTUBXMJJR-YUSALJHKSA-N 1 1 324.381 -1.831 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)O1 ZINC000994850537 663330270 /nfs/dbraw/zinc/33/02/70/663330270.db2.gz OFRSCKTUBXMJJR-YUSALJHKSA-N 1 1 324.381 -1.831 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)O1 ZINC000994850536 663330648 /nfs/dbraw/zinc/33/06/48/663330648.db2.gz OFRSCKTUBXMJJR-ADEWGFFLSA-N 1 1 324.381 -1.831 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)O1 ZINC000994850536 663330652 /nfs/dbraw/zinc/33/06/52/663330652.db2.gz OFRSCKTUBXMJJR-ADEWGFFLSA-N 1 1 324.381 -1.831 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619169 663331534 /nfs/dbraw/zinc/33/15/34/663331534.db2.gz VEDGFJGAKRKSSK-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000938619169 663331541 /nfs/dbraw/zinc/33/15/41/663331541.db2.gz VEDGFJGAKRKSSK-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000938827107 663334515 /nfs/dbraw/zinc/33/45/15/663334515.db2.gz PSRLOKGTNQZOJO-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831669 663335561 /nfs/dbraw/zinc/33/55/61/663335561.db2.gz WBMXTTQGLQLNRA-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831669 663335565 /nfs/dbraw/zinc/33/55/65/663335565.db2.gz WBMXTTQGLQLNRA-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938881493 663336390 /nfs/dbraw/zinc/33/63/90/663336390.db2.gz IEPMVDQZIWOEMW-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000938881493 663336393 /nfs/dbraw/zinc/33/63/93/663336393.db2.gz IEPMVDQZIWOEMW-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@H]1CCCNC1=O ZINC001031748517 663337195 /nfs/dbraw/zinc/33/71/95/663337195.db2.gz BCBXJDCALZSXBX-RYUDHWBXSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCCNC1=O ZINC001031749229 663337737 /nfs/dbraw/zinc/33/77/37/663337737.db2.gz RRPQSEQDHFXJSV-MNOVXSKESA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754412 663338411 /nfs/dbraw/zinc/33/84/11/663338411.db2.gz CCPBAGHQZIDHLJ-GHMZBOCLSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)O1 ZINC001031766031 663340860 /nfs/dbraw/zinc/34/08/60/663340860.db2.gz ZLDITNAHZYUFMU-KGYLQXTDSA-N 1 1 310.398 -1.358 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN([C@H]3CCNC3=O)C2)O1 ZINC001031766031 663340865 /nfs/dbraw/zinc/34/08/65/663340865.db2.gz ZLDITNAHZYUFMU-KGYLQXTDSA-N 1 1 310.398 -1.358 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082907 663342577 /nfs/dbraw/zinc/34/25/77/663342577.db2.gz WOXSDKZRABBSEZ-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082907 663342580 /nfs/dbraw/zinc/34/25/80/663342580.db2.gz WOXSDKZRABBSEZ-GHMZBOCLSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000939108212 663342957 /nfs/dbraw/zinc/34/29/57/663342957.db2.gz RGWGIWHTAYAQMN-OUAUKWLOSA-N 1 1 321.385 -1.262 20 0 DAADMO Cn1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cc1=O ZINC001031777992 663343459 /nfs/dbraw/zinc/34/34/59/663343459.db2.gz GROWPUATJPORFA-LBPRGKRZSA-N 1 1 304.350 -1.065 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939134799 663344091 /nfs/dbraw/zinc/34/40/91/663344091.db2.gz HWAJVDVEUMZYHQ-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)C1=O ZINC001031803978 663346047 /nfs/dbraw/zinc/34/60/47/663346047.db2.gz PXYOOMZGYLIUTK-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329285 663349893 /nfs/dbraw/zinc/34/98/93/663349893.db2.gz OUIVLZBQDCBJIC-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939333920 663350662 /nfs/dbraw/zinc/35/06/62/663350662.db2.gz LDEUXAALUPMIKY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC000939330120 663351125 /nfs/dbraw/zinc/35/11/25/663351125.db2.gz QOUPUUKGEVCCQQ-PSASIEDQSA-N 1 1 322.325 -1.442 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000994940694 663353505 /nfs/dbraw/zinc/35/35/05/663353505.db2.gz RQNGYKJDKMEWQK-UWVGGRQHSA-N 1 1 320.361 -1.729 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000939389531 663354874 /nfs/dbraw/zinc/35/48/74/663354874.db2.gz JCUCFKMCSZDDHZ-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000939389288 663354839 /nfs/dbraw/zinc/35/48/39/663354839.db2.gz SFFBHICMTQIVSX-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000939389531 663354870 /nfs/dbraw/zinc/35/48/70/663354870.db2.gz JCUCFKMCSZDDHZ-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000939389529 663355038 /nfs/dbraw/zinc/35/50/38/663355038.db2.gz JCUCFKMCSZDDHZ-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000939389529 663355041 /nfs/dbraw/zinc/35/50/41/663355041.db2.gz JCUCFKMCSZDDHZ-GMTAPVOTSA-N 1 1 312.370 -1.750 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000994942987 663355495 /nfs/dbraw/zinc/35/54/95/663355495.db2.gz ATAXXOKFGMZBQP-JQWIXIFHSA-N 1 1 323.397 -1.192 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000939422628 663356095 /nfs/dbraw/zinc/35/60/95/663356095.db2.gz NDXOMWJIMALMJK-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000939422628 663356097 /nfs/dbraw/zinc/35/60/97/663356097.db2.gz NDXOMWJIMALMJK-OLZOCXBDSA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3nccn3)C2)n1 ZINC000994962755 663357834 /nfs/dbraw/zinc/35/78/34/663357834.db2.gz JOJAORMNIGZZMU-MNOVXSKESA-N 1 1 319.373 -1.124 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939729270 663363033 /nfs/dbraw/zinc/36/30/33/663363033.db2.gz NBRIUSSKQXGCDV-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001031844223 663363138 /nfs/dbraw/zinc/36/31/38/663363138.db2.gz FBILWGIOUSSXKT-SECBINFHSA-N 1 1 317.353 -1.080 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000939870940 663365254 /nfs/dbraw/zinc/36/52/54/663365254.db2.gz CICMEEMWNAHDES-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000939870940 663365257 /nfs/dbraw/zinc/36/52/57/663365257.db2.gz CICMEEMWNAHDES-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939863350 663365424 /nfs/dbraw/zinc/36/54/24/663365424.db2.gz BSVNXIDHMKKJLE-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939863350 663365425 /nfs/dbraw/zinc/36/54/25/663365425.db2.gz BSVNXIDHMKKJLE-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000939864128 663365554 /nfs/dbraw/zinc/36/55/54/663365554.db2.gz VVDIMQASCVSGMD-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000939864128 663365560 /nfs/dbraw/zinc/36/55/60/663365560.db2.gz VVDIMQASCVSGMD-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000939863836 663365611 /nfs/dbraw/zinc/36/56/11/663365611.db2.gz OPJGFSAVZRMXNR-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000939863836 663365613 /nfs/dbraw/zinc/36/56/13/663365613.db2.gz OPJGFSAVZRMXNR-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000939871781 663365754 /nfs/dbraw/zinc/36/57/54/663365754.db2.gz VSGIBALKUDOPIW-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000939871781 663365757 /nfs/dbraw/zinc/36/57/57/663365757.db2.gz VSGIBALKUDOPIW-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000939866662 663365797 /nfs/dbraw/zinc/36/57/97/663365797.db2.gz LLEZHEXSWKTOQM-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000939866662 663365800 /nfs/dbraw/zinc/36/58/00/663365800.db2.gz LLEZHEXSWKTOQM-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001031861750 663366196 /nfs/dbraw/zinc/36/61/96/663366196.db2.gz AJIZHNAOINBZOR-LLVKDONJSA-N 1 1 305.338 -1.670 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031860379 663366203 /nfs/dbraw/zinc/36/62/03/663366203.db2.gz MAPYUEXGGLWBCM-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3cn(C)c(=O)cn3)C2)C1=O ZINC001031860233 663366218 /nfs/dbraw/zinc/36/62/18/663366218.db2.gz KRNWXLOWRVVGDP-GFCCVEGCSA-N 1 1 319.365 -1.327 20 0 DAADMO Cn1cncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000995020586 663366360 /nfs/dbraw/zinc/36/63/60/663366360.db2.gz UQXUIWOEOGKUOI-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000995020586 663366364 /nfs/dbraw/zinc/36/63/64/663366364.db2.gz UQXUIWOEOGKUOI-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)ncc1=O ZINC001031861745 663366386 /nfs/dbraw/zinc/36/63/86/663366386.db2.gz AFGORMKYSSPXIX-GFCCVEGCSA-N 1 1 319.365 -1.280 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000995049054 663369165 /nfs/dbraw/zinc/36/91/65/663369165.db2.gz QRDTYVNSVVKTME-RKDXNWHRSA-N 1 1 320.361 -1.578 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000940238879 663370847 /nfs/dbraw/zinc/37/08/47/663370847.db2.gz SAWJZQGNJSFJQN-GMTAPVOTSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000940254211 663371172 /nfs/dbraw/zinc/37/11/72/663371172.db2.gz CDNPYHADIRCGPH-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000940254211 663371175 /nfs/dbraw/zinc/37/11/75/663371175.db2.gz CDNPYHADIRCGPH-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000995081737 663374161 /nfs/dbraw/zinc/37/41/61/663374161.db2.gz POZHPMOZCUVXLP-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000995082209 663374366 /nfs/dbraw/zinc/37/43/66/663374366.db2.gz AFPBCSTZJCEGGG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031892150 663374443 /nfs/dbraw/zinc/37/44/43/663374443.db2.gz OLQJAMSULSQYLX-VIFPVBQESA-N 1 1 306.326 -1.420 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000940525275 663374455 /nfs/dbraw/zinc/37/44/55/663374455.db2.gz FSTLDEGUHMXHHU-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCOCC3)C2)C1 ZINC000940523147 663374463 /nfs/dbraw/zinc/37/44/63/663374463.db2.gz RZNZJCUTKSEUHL-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000940522603 663374523 /nfs/dbraw/zinc/37/45/23/663374523.db2.gz KUZLUBWKKLDXPL-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000940525276 663374608 /nfs/dbraw/zinc/37/46/08/663374608.db2.gz FSTLDEGUHMXHHU-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000995081735 663374627 /nfs/dbraw/zinc/37/46/27/663374627.db2.gz POZHPMOZCUVXLP-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000940547791 663374783 /nfs/dbraw/zinc/37/47/83/663374783.db2.gz KZNRNMUWCIIQGF-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)CC(N)=O)CC2)C1 ZINC000940548771 663375096 /nfs/dbraw/zinc/37/50/96/663375096.db2.gz LYFVAZFCLWVXNO-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)CC(N)=O)CC2)C1 ZINC000940548771 663375098 /nfs/dbraw/zinc/37/50/98/663375098.db2.gz LYFVAZFCLWVXNO-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000940559728 663375740 /nfs/dbraw/zinc/37/57/40/663375740.db2.gz HNBLHOCNERSIQU-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031898268 663376365 /nfs/dbraw/zinc/37/63/65/663376365.db2.gz DUKOCYVKFLXMKI-BXKDBHETSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031896919 663376374 /nfs/dbraw/zinc/37/63/74/663376374.db2.gz LUCQXDPZJOXQRG-CABZTGNLSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1=O ZINC001031900353 663377937 /nfs/dbraw/zinc/37/79/37/663377937.db2.gz OUXJUNIDHMZCRQ-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1=O ZINC001031901989 663378159 /nfs/dbraw/zinc/37/81/59/663378159.db2.gz CZMKUUGEPMAKRW-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031900817 663378199 /nfs/dbraw/zinc/37/81/99/663378199.db2.gz DDSCEDFVPRDXNX-KOLCDFICSA-N 1 1 311.386 -1.465 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940616292 663378368 /nfs/dbraw/zinc/37/83/68/663378368.db2.gz SUGNWMQEBQWNAU-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031901308 663378491 /nfs/dbraw/zinc/37/84/91/663378491.db2.gz QQYDKGACMQKZPB-VXGBXAGGSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000995092320 663378671 /nfs/dbraw/zinc/37/86/71/663378671.db2.gz YRTHUGQNHFRPAI-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)NC1=O ZINC001031903037 663378695 /nfs/dbraw/zinc/37/86/95/663378695.db2.gz SQYXLKGLEKJMPD-WDEREUQCSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)n1 ZINC001031905247 663379221 /nfs/dbraw/zinc/37/92/21/663379221.db2.gz CWFVDLUOVLZVHK-UHFFFAOYSA-N 1 1 322.329 -2.577 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)C1=O ZINC001031905264 663379453 /nfs/dbraw/zinc/37/94/53/663379453.db2.gz DEAAFRYETCOPAY-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940748501 663379845 /nfs/dbraw/zinc/37/98/45/663379845.db2.gz YOYLPBNQXBTRNM-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)n1 ZINC001031906109 663379866 /nfs/dbraw/zinc/37/98/66/663379866.db2.gz DUOWIFOQAGNAPF-UHFFFAOYSA-N 1 1 321.341 -1.979 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940748499 663380131 /nfs/dbraw/zinc/38/01/31/663380131.db2.gz YOYLPBNQXBTRNM-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031913093 663380601 /nfs/dbraw/zinc/38/06/01/663380601.db2.gz SVFPLBIUJRZFLK-CMPLNLGQSA-N 1 1 310.398 -1.011 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000940938630 663381427 /nfs/dbraw/zinc/38/14/27/663381427.db2.gz LOCDANFJMUPJFM-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962575 663382316 /nfs/dbraw/zinc/38/23/16/663382316.db2.gz ZNNOAAPSGHYCSV-RKDXNWHRSA-N 1 1 309.374 -1.086 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962575 663382319 /nfs/dbraw/zinc/38/23/19/663382319.db2.gz ZNNOAAPSGHYCSV-RKDXNWHRSA-N 1 1 309.374 -1.086 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943682 663382627 /nfs/dbraw/zinc/38/26/27/663382627.db2.gz MMSYSFXCZXUMDF-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943682 663382628 /nfs/dbraw/zinc/38/26/28/663382628.db2.gz MMSYSFXCZXUMDF-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993860 663382794 /nfs/dbraw/zinc/38/27/94/663382794.db2.gz OXEGSFLYDBTEID-ZJUUUORDSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993860 663382796 /nfs/dbraw/zinc/38/27/96/663382796.db2.gz OXEGSFLYDBTEID-ZJUUUORDSA-N 1 1 311.386 -1.370 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)CC[C@@H]1NC(=O)C(N)=O ZINC000941000627 663382928 /nfs/dbraw/zinc/38/29/28/663382928.db2.gz UTGSDFTZXCKESZ-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3C)C2)C1=O ZINC001031919515 663382978 /nfs/dbraw/zinc/38/29/78/663382978.db2.gz DEAAFRYETCOPAY-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000941096691 663384281 /nfs/dbraw/zinc/38/42/81/663384281.db2.gz BUGKXRFNWDWKGX-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000941096693 663384668 /nfs/dbraw/zinc/38/46/68/663384668.db2.gz BUGKXRFNWDWKGX-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000941208699 663385175 /nfs/dbraw/zinc/38/51/75/663385175.db2.gz XEZMJACDKXPBHN-SNVBAGLBSA-N 1 1 312.370 -1.253 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000941206847 663385432 /nfs/dbraw/zinc/38/54/32/663385432.db2.gz OIHRVKIURLGWFM-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000941206847 663385434 /nfs/dbraw/zinc/38/54/34/663385434.db2.gz OIHRVKIURLGWFM-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000941226187 663385997 /nfs/dbraw/zinc/38/59/97/663385997.db2.gz LYWGWOPZOMXTSH-GHMZBOCLSA-N 1 1 319.427 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995138566 663387809 /nfs/dbraw/zinc/38/78/09/663387809.db2.gz MAXXLHYYOZHUJP-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995138566 663387811 /nfs/dbraw/zinc/38/78/11/663387811.db2.gz MAXXLHYYOZHUJP-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995138556 663387833 /nfs/dbraw/zinc/38/78/33/663387833.db2.gz MAXXLHYYOZHUJP-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995138556 663387836 /nfs/dbraw/zinc/38/78/36/663387836.db2.gz MAXXLHYYOZHUJP-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO O=C(CN1CCCC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941306348 663388042 /nfs/dbraw/zinc/38/80/42/663388042.db2.gz PDCYPRJKBZJABS-UHFFFAOYSA-N 1 1 310.398 -1.571 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001031941642 663388834 /nfs/dbraw/zinc/38/88/34/663388834.db2.gz FVUXZPGBCGNDOJ-NSHDSACASA-N 1 1 309.370 -1.662 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941335410 663389382 /nfs/dbraw/zinc/38/93/82/663389382.db2.gz JWLFBOUKWPSRBY-OLZOCXBDSA-N 1 1 311.382 -1.384 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031942926 663389481 /nfs/dbraw/zinc/38/94/81/663389481.db2.gz VHZADMRFFHLEQN-RKDXNWHRSA-N 1 1 309.326 -2.479 20 0 DAADMO CNC(=O)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344406 663390267 /nfs/dbraw/zinc/39/02/67/663390267.db2.gz HYTPXQCPLOBBRF-AWEZNQCLSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344681 663390365 /nfs/dbraw/zinc/39/03/65/663390365.db2.gz JCDJPXCKURUCAZ-TZMCWYRMSA-N 1 1 323.441 -1.217 20 0 DAADMO Cc1c(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nnn1C ZINC000941357155 663391450 /nfs/dbraw/zinc/39/14/50/663391450.db2.gz MHYHXNYXVMKGQR-UHFFFAOYSA-N 1 1 308.386 -1.442 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941357500 663391820 /nfs/dbraw/zinc/39/18/20/663391820.db2.gz WNYSIVDLVODCFA-CQSZACIVSA-N 1 1 312.414 -1.862 20 0 DAADMO C[C@@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)n1cncn1 ZINC000941383884 663392270 /nfs/dbraw/zinc/39/22/70/663392270.db2.gz MLLFTKXXQWLKCX-LBPRGKRZSA-N 1 1 308.386 -1.340 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941374737 663392393 /nfs/dbraw/zinc/39/23/93/663392393.db2.gz HXWHQJDVLXSZFN-GRYCIOLGSA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941374737 663392394 /nfs/dbraw/zinc/39/23/94/663392394.db2.gz HXWHQJDVLXSZFN-GRYCIOLGSA-N 1 1 322.369 -1.146 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC000941400236 663392623 /nfs/dbraw/zinc/39/26/23/663392623.db2.gz RIRSRBVJMFKQQI-UHFFFAOYSA-N 1 1 308.386 -1.097 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000941397689 663392700 /nfs/dbraw/zinc/39/27/00/663392700.db2.gz FUZPSQQQFOECCZ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC000941426918 663393003 /nfs/dbraw/zinc/39/30/03/663393003.db2.gz NKKHHWYOUAEZKO-IJLUTSLNSA-N 1 1 315.370 -1.695 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC000941426918 663393004 /nfs/dbraw/zinc/39/30/04/663393004.db2.gz NKKHHWYOUAEZKO-IJLUTSLNSA-N 1 1 315.370 -1.695 20 0 DAADMO Cn1ccc(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n1 ZINC000941407392 663393371 /nfs/dbraw/zinc/39/33/71/663393371.db2.gz QNINOPZRDDSGSW-UHFFFAOYSA-N 1 1 307.398 -1.217 20 0 DAADMO COc1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)ncn1 ZINC000941410157 663393427 /nfs/dbraw/zinc/39/34/27/663393427.db2.gz BFJOPRUQBZPGCY-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1 ZINC000941428926 663393755 /nfs/dbraw/zinc/39/37/55/663393755.db2.gz WTXXESBMGYIRGA-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)C1 ZINC000941444048 663393961 /nfs/dbraw/zinc/39/39/61/663393961.db2.gz BPTUNVNMRRDFQU-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941447100 663394282 /nfs/dbraw/zinc/39/42/82/663394282.db2.gz OHZPXBVCBVJRFA-UHFFFAOYSA-N 1 1 307.354 -1.384 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cc1=O ZINC000941442791 663394305 /nfs/dbraw/zinc/39/43/05/663394305.db2.gz CHDOJAJLKLYCBR-UHFFFAOYSA-N 1 1 321.381 -1.785 20 0 DAADMO C[C@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC(=O)C1 ZINC000941455571 663395013 /nfs/dbraw/zinc/39/50/13/663395013.db2.gz VCKCCECIRLXWLJ-INIZCTEOSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC(=O)N1 ZINC000941468034 663395304 /nfs/dbraw/zinc/39/53/04/663395304.db2.gz KYZOHOHFPHXTKI-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(CN1CCCCC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941471716 663395719 /nfs/dbraw/zinc/39/57/19/663395719.db2.gz INLCHROSEXFABU-UHFFFAOYSA-N 1 1 324.425 -1.180 20 0 DAADMO Cn1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)ccc1=O ZINC000941471955 663395910 /nfs/dbraw/zinc/39/59/10/663395910.db2.gz PHNDSOIUFZNWBR-UHFFFAOYSA-N 1 1 320.393 -1.180 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)C1 ZINC000941509796 663396290 /nfs/dbraw/zinc/39/62/90/663396290.db2.gz XQNJVYMDKRNWNZ-KBPBESRZSA-N 1 1 324.425 -1.027 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941509407 663397122 /nfs/dbraw/zinc/39/71/22/663397122.db2.gz IIILSOZUFZYYEQ-CHWSQXEVSA-N 1 1 310.398 -1.681 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941539304 663397448 /nfs/dbraw/zinc/39/74/48/663397448.db2.gz VQHOXOJASRUFKQ-UHFFFAOYSA-N 1 1 307.354 -1.796 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000995158537 663397501 /nfs/dbraw/zinc/39/75/01/663397501.db2.gz MCYTWVLZVBZMNW-VHSXEESVSA-N 1 1 319.373 -1.055 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000941540695 663398141 /nfs/dbraw/zinc/39/81/41/663398141.db2.gz KWXVFCYJMNDFHL-GFCCVEGCSA-N 1 1 311.386 -1.857 20 0 DAADMO C[C@H]1CC[C@H](C[NH+]2CC(N3CCN(C(=O)C(N)=O)CC3)C2)O1 ZINC000941543479 663398277 /nfs/dbraw/zinc/39/82/77/663398277.db2.gz MZZGKIJKCNNNEA-WCQYABFASA-N 1 1 310.398 -1.132 20 0 DAADMO Cn1nccc1CC[NH+]1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000941543849 663398460 /nfs/dbraw/zinc/39/84/60/663398460.db2.gz URPNKLSCOJOGQV-UHFFFAOYSA-N 1 1 320.397 -1.724 20 0 DAADMO Cn1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)[nH]c1=O ZINC000941547264 663398573 /nfs/dbraw/zinc/39/85/73/663398573.db2.gz LMCNAXFETNKEOZ-UHFFFAOYSA-N 1 1 309.370 -1.440 20 0 DAADMO C[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC(=O)N1 ZINC000941547568 663398597 /nfs/dbraw/zinc/39/85/97/663398597.db2.gz OOSIBGGWSNHHKM-HNNXBMFYSA-N 1 1 310.398 -1.524 20 0 DAADMO Cn1ncc(CCC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n1 ZINC000941568303 663398851 /nfs/dbraw/zinc/39/88/51/663398851.db2.gz GRGLIVIXLVDXDL-UHFFFAOYSA-N 1 1 322.413 -1.432 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000941556097 663398946 /nfs/dbraw/zinc/39/89/46/663398946.db2.gz BEMOZPIZYPPMAZ-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000941556097 663398951 /nfs/dbraw/zinc/39/89/51/663398951.db2.gz BEMOZPIZYPPMAZ-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[C@@H]1CCC(=O)N1 ZINC000941580024 663399852 /nfs/dbraw/zinc/39/98/52/663399852.db2.gz MEPFEQSHWIXLJN-OCCSQVGLSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941605488 663399969 /nfs/dbraw/zinc/39/99/69/663399969.db2.gz KMNLYTWKXNZZLK-GFCCVEGCSA-N 1 1 310.398 -1.524 20 0 DAADMO C[C@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[C@@H]1CCC(=O)N1 ZINC000941580020 663400079 /nfs/dbraw/zinc/40/00/79/663400079.db2.gz MEPFEQSHWIXLJN-JSGCOSHPSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000941602001 663400220 /nfs/dbraw/zinc/40/02/20/663400220.db2.gz KERKWNWRYRVWLT-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941605489 663400292 /nfs/dbraw/zinc/40/02/92/663400292.db2.gz KMNLYTWKXNZZLK-LBPRGKRZSA-N 1 1 310.398 -1.524 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC000941660542 663401247 /nfs/dbraw/zinc/40/12/47/663401247.db2.gz PZMPEZSKWJZARN-UHFFFAOYSA-N 1 1 308.386 -1.247 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941653475 663401749 /nfs/dbraw/zinc/40/17/49/663401749.db2.gz WAIOHUPAKUINEF-CQSZACIVSA-N 1 1 324.425 -1.325 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941644979 663401832 /nfs/dbraw/zinc/40/18/32/663401832.db2.gz IKIXUOAXHGYWLQ-HNNXBMFYSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941787956 663404058 /nfs/dbraw/zinc/40/40/58/663404058.db2.gz AIAZUYHFQBPWHF-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941788121 663404193 /nfs/dbraw/zinc/40/41/93/663404193.db2.gz BYMPDORZVCWDPY-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031974108 663404759 /nfs/dbraw/zinc/40/47/59/663404759.db2.gz XESDDQGWBQRFSL-INTQDDNPSA-N 1 1 312.370 -1.798 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792563 663404773 /nfs/dbraw/zinc/40/47/73/663404773.db2.gz YQNNKJCEQIYZBZ-JQWIXIFHSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792563 663404774 /nfs/dbraw/zinc/40/47/74/663404774.db2.gz YQNNKJCEQIYZBZ-JQWIXIFHSA-N 1 1 319.373 -1.172 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cn[nH]n3)C2)C1 ZINC000995175093 663404797 /nfs/dbraw/zinc/40/47/97/663404797.db2.gz ZWJURLWUDVKDKG-GFCCVEGCSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941791571 663405073 /nfs/dbraw/zinc/40/50/73/663405073.db2.gz UVSGSQMNFAQUDW-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948378553 663405942 /nfs/dbraw/zinc/40/59/42/663405942.db2.gz XIUMBXNNTIGSNE-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941883593 663405995 /nfs/dbraw/zinc/40/59/95/663405995.db2.gz RYAPJEDVAYLLAC-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941883593 663405999 /nfs/dbraw/zinc/40/59/99/663405999.db2.gz RYAPJEDVAYLLAC-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941864732 663406100 /nfs/dbraw/zinc/40/61/00/663406100.db2.gz GBOFVUQRZBYSGR-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941859586 663406347 /nfs/dbraw/zinc/40/63/47/663406347.db2.gz RFRVEINBNRBSFR-MVWJERBFSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941852699 663406380 /nfs/dbraw/zinc/40/63/80/663406380.db2.gz MHZMSPMORAPIOB-YUSALJHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941888883 663406572 /nfs/dbraw/zinc/40/65/72/663406572.db2.gz NBRIUSSKQXGCDV-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 ZINC001031978784 663407183 /nfs/dbraw/zinc/40/71/83/663407183.db2.gz WNYXAORZTRPWAS-ZYHUDNBSSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031980236 663407361 /nfs/dbraw/zinc/40/73/61/663407361.db2.gz MALORDCABIILBJ-FXAINCCUSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031978539 663407568 /nfs/dbraw/zinc/40/75/68/663407568.db2.gz VJXBYAIJUHODST-PWSUYJOCSA-N 1 1 322.413 -1.146 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001031981157 663408804 /nfs/dbraw/zinc/40/88/04/663408804.db2.gz QSUBQANETFMTOT-XQQFMLRXSA-N 1 1 322.409 -1.011 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000941973822 663409255 /nfs/dbraw/zinc/40/92/55/663409255.db2.gz QREIBCQYAJMIFY-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000941973822 663409260 /nfs/dbraw/zinc/40/92/60/663409260.db2.gz QREIBCQYAJMIFY-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031983225 663409812 /nfs/dbraw/zinc/40/98/12/663409812.db2.gz RFYNQKDCIWHMDA-QMMMGPOBSA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942057326 663411693 /nfs/dbraw/zinc/41/16/93/663411693.db2.gz MOVSOIBTEBGOHW-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)nn1 ZINC000942042596 663411845 /nfs/dbraw/zinc/41/18/45/663411845.db2.gz UJCAZBDKFBQVOV-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)nn1 ZINC000942042596 663411847 /nfs/dbraw/zinc/41/18/47/663411847.db2.gz UJCAZBDKFBQVOV-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000942106469 663413005 /nfs/dbraw/zinc/41/30/05/663413005.db2.gz PCVPYUCHALJLEW-NEPJUHHUSA-N 1 1 324.381 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](C)C1 ZINC000942141952 663413568 /nfs/dbraw/zinc/41/35/68/663413568.db2.gz FQHKAHUDHZWABM-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC000942141951 663413763 /nfs/dbraw/zinc/41/37/63/663413763.db2.gz FQHKAHUDHZWABM-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864961 663413821 /nfs/dbraw/zinc/41/38/21/663413821.db2.gz MJTSRJDNOVCWEW-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CC(=O)NC3=O)C2)C1=O ZINC001015864961 663413822 /nfs/dbraw/zinc/41/38/22/663413822.db2.gz MJTSRJDNOVCWEW-UWVGGRQHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCCNC2=O)C1 ZINC000995222692 663417894 /nfs/dbraw/zinc/41/78/94/663417894.db2.gz NBFGMLUZTHFNNW-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000942301405 663419189 /nfs/dbraw/zinc/41/91/89/663419189.db2.gz VQOHLRKEMGAJQF-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000942301804 663419220 /nfs/dbraw/zinc/41/92/20/663419220.db2.gz BANSWYPQJRYBIY-WWALYXLFSA-N 1 1 322.365 -1.948 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942309779 663421356 /nfs/dbraw/zinc/42/13/56/663421356.db2.gz MPKBHFSUMGLWQO-MNOVXSKESA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942309779 663421359 /nfs/dbraw/zinc/42/13/59/663421359.db2.gz MPKBHFSUMGLWQO-MNOVXSKESA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1nc[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000995239425 663422502 /nfs/dbraw/zinc/42/25/02/663422502.db2.gz NKQXKZJZCOGCFS-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000995239425 663422507 /nfs/dbraw/zinc/42/25/07/663422507.db2.gz NKQXKZJZCOGCFS-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013969 663422676 /nfs/dbraw/zinc/42/26/76/663422676.db2.gz SFXVRJHYBJFDDY-CBAPKCEASA-N 1 1 311.342 -2.233 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032014221 663422840 /nfs/dbraw/zinc/42/28/40/663422840.db2.gz ZAPRMLKBUXFGIQ-UWVGGRQHSA-N 1 1 323.353 -2.089 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000942435479 663423587 /nfs/dbraw/zinc/42/35/87/663423587.db2.gz WDSKPLBJTJZKTI-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942560458 663426434 /nfs/dbraw/zinc/42/64/34/663426434.db2.gz QKYLVBUWVTUPIR-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562050 663426490 /nfs/dbraw/zinc/42/64/90/663426490.db2.gz GNYHTVFTUQNKIL-MWLCHTKSSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942562050 663426491 /nfs/dbraw/zinc/42/64/91/663426491.db2.gz GNYHTVFTUQNKIL-MWLCHTKSSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559437 663426910 /nfs/dbraw/zinc/42/69/10/663426910.db2.gz BXMBSVWTEVDJOU-WDEREUQCSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559437 663426915 /nfs/dbraw/zinc/42/69/15/663426915.db2.gz BXMBSVWTEVDJOU-WDEREUQCSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942595141 663427209 /nfs/dbraw/zinc/42/72/09/663427209.db2.gz USCQAWBQAOWJHL-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1NC(=O)C(N)=O ZINC000942591683 663427676 /nfs/dbraw/zinc/42/76/76/663427676.db2.gz NILDSKHHEHIUEF-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N1CCOCC1 ZINC000995266253 663428253 /nfs/dbraw/zinc/42/82/53/663428253.db2.gz DSMZJUYUORYICE-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015880716 663432429 /nfs/dbraw/zinc/43/24/29/663432429.db2.gz QNNVUBFFYFJRNY-VIFPVBQESA-N 1 1 322.325 -1.184 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157254 663432780 /nfs/dbraw/zinc/43/27/80/663432780.db2.gz XWFAKSKSJVJIGZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157254 663432782 /nfs/dbraw/zinc/43/27/82/663432782.db2.gz XWFAKSKSJVJIGZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157253 663432792 /nfs/dbraw/zinc/43/27/92/663432792.db2.gz XWFAKSKSJVJIGZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157253 663432793 /nfs/dbraw/zinc/43/27/93/663432793.db2.gz XWFAKSKSJVJIGZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000943495124 663435885 /nfs/dbraw/zinc/43/58/85/663435885.db2.gz BWQCARVNYZKCRZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000943495124 663435886 /nfs/dbraw/zinc/43/58/86/663435886.db2.gz BWQCARVNYZKCRZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC000943547839 663436200 /nfs/dbraw/zinc/43/62/00/663436200.db2.gz JXLYXINKDDPRSD-MWLCHTKSSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549718 663436339 /nfs/dbraw/zinc/43/63/39/663436339.db2.gz UVFBTINGVOPTAZ-PSASIEDQSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549718 663436342 /nfs/dbraw/zinc/43/63/42/663436342.db2.gz UVFBTINGVOPTAZ-PSASIEDQSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943677386 663436904 /nfs/dbraw/zinc/43/69/04/663436904.db2.gz ZXYLATDOWMDOJF-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995385309 663437869 /nfs/dbraw/zinc/43/78/69/663437869.db2.gz WMZZJXAQGHPLKN-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995385309 663437875 /nfs/dbraw/zinc/43/78/75/663437875.db2.gz WMZZJXAQGHPLKN-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995385317 663437970 /nfs/dbraw/zinc/43/79/70/663437970.db2.gz WMZZJXAQGHPLKN-ZYHUDNBSSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000995385317 663437974 /nfs/dbraw/zinc/43/79/74/663437974.db2.gz WMZZJXAQGHPLKN-ZYHUDNBSSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995385301 663438296 /nfs/dbraw/zinc/43/82/96/663438296.db2.gz WMZZJXAQGHPLKN-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995385301 663438300 /nfs/dbraw/zinc/43/83/00/663438300.db2.gz WMZZJXAQGHPLKN-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000995389067 663438693 /nfs/dbraw/zinc/43/86/93/663438693.db2.gz IRTFPBGBHSNHIX-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032136960 663442208 /nfs/dbraw/zinc/44/22/08/663442208.db2.gz ICVDYFINYMEZDX-JTQLQIEISA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCCC1 ZINC001032138040 663442404 /nfs/dbraw/zinc/44/24/04/663442404.db2.gz JCLMAEGNNFIJQE-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1cccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c1=O ZINC001032137036 663442374 /nfs/dbraw/zinc/44/23/74/663442374.db2.gz UTTAPWSNJDZPDR-GFCCVEGCSA-N 1 1 304.350 -1.065 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)n1 ZINC001038601725 663443602 /nfs/dbraw/zinc/44/36/02/663443602.db2.gz PTOLFDIETVORBH-QWRGUYRKSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173157 663444084 /nfs/dbraw/zinc/44/40/84/663444084.db2.gz QFSQJRGQEAXAFZ-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032172836 663444364 /nfs/dbraw/zinc/44/43/64/663444364.db2.gz DZRPWPUUIHSJJM-VIFPVBQESA-N 1 1 307.354 -1.424 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001032182205 663444855 /nfs/dbraw/zinc/44/48/55/663444855.db2.gz HDKGLJNVHZXEJL-AWEZNQCLSA-N 1 1 324.425 -1.155 20 0 DAADMO Cn1ccc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)n1 ZINC001032186552 663445435 /nfs/dbraw/zinc/44/54/35/663445435.db2.gz QXXJHCIZFANZTI-UHFFFAOYSA-N 1 1 320.353 -1.367 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(CCN3C(=O)CNC3=O)C2)C1 ZINC001032186853 663445471 /nfs/dbraw/zinc/44/54/71/663445471.db2.gz YGZXQSCRZNZCLZ-LBPRGKRZSA-N 1 1 323.397 -1.462 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032187859 663446329 /nfs/dbraw/zinc/44/63/29/663446329.db2.gz IZCPPVOVBLJFDL-MRVPVSSYSA-N 1 1 307.354 -1.090 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)n1 ZINC000944239829 663449092 /nfs/dbraw/zinc/44/90/92/663449092.db2.gz AJAJPDBQBNQCGN-ZYHUDNBSSA-N 1 1 321.381 -1.136 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)n1 ZINC000944239829 663449095 /nfs/dbraw/zinc/44/90/95/663449095.db2.gz AJAJPDBQBNQCGN-ZYHUDNBSSA-N 1 1 321.381 -1.136 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194182 663449200 /nfs/dbraw/zinc/44/92/00/663449200.db2.gz MXQYSMMLSZUPNK-ZJUUUORDSA-N 1 1 318.399 -2.010 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194176 663449296 /nfs/dbraw/zinc/44/92/96/663449296.db2.gz MXQYSMMLSZUPNK-NXEZZACHSA-N 1 1 318.399 -2.010 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000944271697 663449762 /nfs/dbraw/zinc/44/97/62/663449762.db2.gz IGMSPDAQYDRKJZ-HFAKWTLXSA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001032201947 663452252 /nfs/dbraw/zinc/45/22/52/663452252.db2.gz LLDITBQOQWBACX-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001032201947 663452253 /nfs/dbraw/zinc/45/22/53/663452253.db2.gz LLDITBQOQWBACX-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)c(=O)n1C ZINC000944491789 663453622 /nfs/dbraw/zinc/45/36/22/663453622.db2.gz MCCFFUPJDHSNPT-GXSJLCMTSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)c(=O)n1C ZINC000944491789 663453625 /nfs/dbraw/zinc/45/36/25/663453625.db2.gz MCCFFUPJDHSNPT-GXSJLCMTSA-N 1 1 324.385 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnn[n-]2)CCO1 ZINC000944516122 663454881 /nfs/dbraw/zinc/45/48/81/663454881.db2.gz MJWREFHTPSGJMY-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516122 663454887 /nfs/dbraw/zinc/45/48/87/663454887.db2.gz MJWREFHTPSGJMY-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516122 663454892 /nfs/dbraw/zinc/45/48/92/663454892.db2.gz MJWREFHTPSGJMY-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524912 663456982 /nfs/dbraw/zinc/45/69/82/663456982.db2.gz ATRHFPSAWOZNQF-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524912 663456986 /nfs/dbraw/zinc/45/69/86/663456986.db2.gz ATRHFPSAWOZNQF-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000944510025 663457018 /nfs/dbraw/zinc/45/70/18/663457018.db2.gz OHZCNYCNYPKENM-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2C)c(=O)n1C ZINC000944534114 663457647 /nfs/dbraw/zinc/45/76/47/663457647.db2.gz RVYOKBVIKFMHRY-JQWIXIFHSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1 ZINC000944597116 663459302 /nfs/dbraw/zinc/45/93/02/663459302.db2.gz PDCJFMFNCMOJTO-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)c3cnon3)CCO2)C1 ZINC000944601321 663459443 /nfs/dbraw/zinc/45/94/43/663459443.db2.gz PHBCCGYTMYKWLC-MNOVXSKESA-N 1 1 323.353 -1.022 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001032211231 663460446 /nfs/dbraw/zinc/46/04/46/663460446.db2.gz GKHFWDAQMNZDNQ-JTQLQIEISA-N 1 1 307.354 -1.726 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)C1 ZINC000944607705 663460473 /nfs/dbraw/zinc/46/04/73/663460473.db2.gz UAPPYUGBSWRGLA-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001032211232 663460553 /nfs/dbraw/zinc/46/05/53/663460553.db2.gz GKHFWDAQMNZDNQ-SNVBAGLBSA-N 1 1 307.354 -1.726 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)C1 ZINC000944607706 663460560 /nfs/dbraw/zinc/46/05/60/663460560.db2.gz UAPPYUGBSWRGLA-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211761 663460576 /nfs/dbraw/zinc/46/05/76/663460576.db2.gz YEVDWRKAZSCAEP-JTQLQIEISA-N 1 1 323.397 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC000944635606 663460696 /nfs/dbraw/zinc/46/06/96/663460696.db2.gz UOUWANINHOFHFF-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211535 663460866 /nfs/dbraw/zinc/46/08/66/663460866.db2.gz PWWOIWGRXSCUQF-SNVBAGLBSA-N 1 1 309.370 -1.351 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3cn[nH]n3)C2)C1 ZINC000944663810 663461865 /nfs/dbraw/zinc/46/18/65/663461865.db2.gz IYPUZKYSYBODFY-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663810 663461868 /nfs/dbraw/zinc/46/18/68/663461868.db2.gz IYPUZKYSYBODFY-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663810 663461870 /nfs/dbraw/zinc/46/18/70/663461870.db2.gz IYPUZKYSYBODFY-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]([NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C)c1nnnn1C ZINC000995566584 663462789 /nfs/dbraw/zinc/46/27/89/663462789.db2.gz RFFMKSRKDGCFKY-BDAKNGLRSA-N 1 1 309.374 -1.027 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)c1nnnn1C ZINC000995566595 663462891 /nfs/dbraw/zinc/46/28/91/663462891.db2.gz RFFMKSRKDGCFKY-RKDXNWHRSA-N 1 1 309.374 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000944743226 663467200 /nfs/dbraw/zinc/46/72/00/663467200.db2.gz WBCXJRCHVHRKQF-QWRGUYRKSA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789603 663467962 /nfs/dbraw/zinc/46/79/62/663467962.db2.gz LMCYAJJOICEAPM-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789603 663467963 /nfs/dbraw/zinc/46/79/63/663467963.db2.gz LMCYAJJOICEAPM-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000944814371 663468034 /nfs/dbraw/zinc/46/80/34/663468034.db2.gz YSGOBLZEUDYDDX-QWRGUYRKSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000944814369 663468290 /nfs/dbraw/zinc/46/82/90/663468290.db2.gz YSGOBLZEUDYDDX-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H]2CCc3ncnn32)n1 ZINC001038602530 663469131 /nfs/dbraw/zinc/46/91/31/663469131.db2.gz ZWYHPKQMUWKITH-UWVGGRQHSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCc3ncnn32)n1 ZINC001038602530 663469136 /nfs/dbraw/zinc/46/91/36/663469136.db2.gz ZWYHPKQMUWKITH-UWVGGRQHSA-N 1 1 317.357 -1.207 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908601 663469313 /nfs/dbraw/zinc/46/93/13/663469313.db2.gz ROJIOUZEUPMICK-WCBMZHEXSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000944908601 663469318 /nfs/dbraw/zinc/46/93/18/663469318.db2.gz ROJIOUZEUPMICK-WCBMZHEXSA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944938075 663469411 /nfs/dbraw/zinc/46/94/11/663469411.db2.gz HITXAMFWERNEPQ-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038602632 663469850 /nfs/dbraw/zinc/46/98/50/663469850.db2.gz MSJONKUVSQLLDH-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038602632 663469853 /nfs/dbraw/zinc/46/98/53/663469853.db2.gz MSJONKUVSQLLDH-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032227276 663469939 /nfs/dbraw/zinc/46/99/39/663469939.db2.gz OWCZAPXJXLQPCB-QWRGUYRKSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945179447 663471373 /nfs/dbraw/zinc/47/13/73/663471373.db2.gz JCCLTJCVKZSQKI-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945179448 663471480 /nfs/dbraw/zinc/47/14/80/663471480.db2.gz JCCLTJCVKZSQKI-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC000945183537 663471608 /nfs/dbraw/zinc/47/16/08/663471608.db2.gz RGDNKYYOXGLIJU-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945224396 663471996 /nfs/dbraw/zinc/47/19/96/663471996.db2.gz RHJDDKBEFQKFTC-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)O1 ZINC000995693004 663473865 /nfs/dbraw/zinc/47/38/65/663473865.db2.gz PREWPMJRRDFVQW-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cnn(C)n3)C2)O1 ZINC000995693004 663473867 /nfs/dbraw/zinc/47/38/67/663473867.db2.gz PREWPMJRRDFVQW-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000945399914 663473993 /nfs/dbraw/zinc/47/39/93/663473993.db2.gz UVWHSMUSWPOAKL-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000945399915 663474194 /nfs/dbraw/zinc/47/41/94/663474194.db2.gz UVWHSMUSWPOAKL-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(C1=COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032262846 663475471 /nfs/dbraw/zinc/47/54/71/663475471.db2.gz ISXRDTZMBUXAKX-GARJFASQSA-N 1 1 321.333 -1.035 20 0 DAADMO O=C(C1=COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032262846 663475472 /nfs/dbraw/zinc/47/54/72/663475472.db2.gz ISXRDTZMBUXAKX-GARJFASQSA-N 1 1 321.333 -1.035 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032269235 663477047 /nfs/dbraw/zinc/47/70/47/663477047.db2.gz JGBSJOFVWRMNPS-DCAQKATOSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032269454 663477129 /nfs/dbraw/zinc/47/71/29/663477129.db2.gz QCEZECWYLCJCRO-GUBZILKMSA-N 1 1 319.325 -2.237 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032269454 663477132 /nfs/dbraw/zinc/47/71/32/663477132.db2.gz QCEZECWYLCJCRO-GUBZILKMSA-N 1 1 319.325 -2.237 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cnnn2C)CC1(C)C ZINC000995749106 663481707 /nfs/dbraw/zinc/48/17/07/663481707.db2.gz XMWGNYBJADBMEV-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)nn1 ZINC000995778646 663482331 /nfs/dbraw/zinc/48/23/31/663482331.db2.gz YBGGCGOQOLLNNO-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000996064138 663482922 /nfs/dbraw/zinc/48/29/22/663482922.db2.gz GFJXJAIBJOEAIM-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000995978920 663483030 /nfs/dbraw/zinc/48/30/30/663483030.db2.gz RVMVYYQYXJSIQR-RCWTZXSCSA-N 1 1 310.354 -1.950 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000995978920 663483031 /nfs/dbraw/zinc/48/30/31/663483031.db2.gz RVMVYYQYXJSIQR-RCWTZXSCSA-N 1 1 310.354 -1.950 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2COCCO2)C1 ZINC000996067710 663483096 /nfs/dbraw/zinc/48/30/96/663483096.db2.gz WUVHFOOYUXBDTC-LBPRGKRZSA-N 1 1 308.338 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995990165 663483221 /nfs/dbraw/zinc/48/32/21/663483221.db2.gz SJECTAXJLUYFNR-SECBINFHSA-N 1 1 305.346 -1.031 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000996070846 663483565 /nfs/dbraw/zinc/48/35/65/663483565.db2.gz RVVNSIOYQSLTJA-UHFFFAOYSA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C ZINC000996156885 663483573 /nfs/dbraw/zinc/48/35/73/663483573.db2.gz ADVFLVKNZURCSB-SECBINFHSA-N 1 1 319.373 -1.021 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000996110309 663483593 /nfs/dbraw/zinc/48/35/93/663483593.db2.gz GBFXGHRNZADIDV-UHFFFAOYSA-N 1 1 319.365 -1.036 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996216897 663484146 /nfs/dbraw/zinc/48/41/46/663484146.db2.gz XTZHBRLXDIUZNB-UWVGGRQHSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996216924 663484279 /nfs/dbraw/zinc/48/42/79/663484279.db2.gz XYYIYRJWMGAQTD-VHSXEESVSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015948019 663484384 /nfs/dbraw/zinc/48/43/84/663484384.db2.gz SEFFEUKPTUUXBJ-VHSXEESVSA-N 1 1 312.370 -1.112 20 0 DAADMO Cn1cnc(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)n1 ZINC000996297433 663485391 /nfs/dbraw/zinc/48/53/91/663485391.db2.gz IJRYAGMJVAGPRN-UHFFFAOYSA-N 1 1 305.346 -1.267 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996438442 663486287 /nfs/dbraw/zinc/48/62/87/663486287.db2.gz ZRFBSNFRZLOTIX-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000996437287 663486335 /nfs/dbraw/zinc/48/63/35/663486335.db2.gz UIEQHFDCWIDXAH-SNVBAGLBSA-N 1 1 322.369 -1.348 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000996432885 663486482 /nfs/dbraw/zinc/48/64/82/663486482.db2.gz FVXITNYDAFDWAH-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000996434660 663486541 /nfs/dbraw/zinc/48/65/41/663486541.db2.gz NOFLXZUCQYGMTD-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000996443635 663486561 /nfs/dbraw/zinc/48/65/61/663486561.db2.gz OHRAFCPSVJYQLT-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000996443638 663486588 /nfs/dbraw/zinc/48/65/88/663486588.db2.gz OHRAFCPSVJYQLT-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000996428342 663486657 /nfs/dbraw/zinc/48/66/57/663486657.db2.gz BVMJUJZLKTXMPR-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000996434657 663487051 /nfs/dbraw/zinc/48/70/51/663487051.db2.gz NOFLXZUCQYGMTD-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000996434582 663487084 /nfs/dbraw/zinc/48/70/84/663487084.db2.gz NIYCLMHUJDYDOS-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000996442399 663487119 /nfs/dbraw/zinc/48/71/19/663487119.db2.gz HCYUBCQPZPKFGK-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)nnn1C ZINC001032328107 663493992 /nfs/dbraw/zinc/49/39/92/663493992.db2.gz JNDFOXXLBAHGJM-DCAQKATOSA-N 1 1 304.354 -1.089 20 0 DAADMO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)nnn1C ZINC001032328107 663493994 /nfs/dbraw/zinc/49/39/94/663493994.db2.gz JNDFOXXLBAHGJM-DCAQKATOSA-N 1 1 304.354 -1.089 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735045377 663494471 /nfs/dbraw/zinc/49/44/71/663494471.db2.gz DWWNEHZFWJNEIP-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735046896 663494618 /nfs/dbraw/zinc/49/46/18/663494618.db2.gz YMRPWFNZUSFGAV-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735014440 663494653 /nfs/dbraw/zinc/49/46/53/663494653.db2.gz SHMGPBZGPOKCHD-SNVBAGLBSA-N 1 1 310.354 -1.466 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735014440 663494657 /nfs/dbraw/zinc/49/46/57/663494657.db2.gz SHMGPBZGPOKCHD-SNVBAGLBSA-N 1 1 310.354 -1.466 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)n1 ZINC000996881074 663496752 /nfs/dbraw/zinc/49/67/52/663496752.db2.gz PQRUARMBMFVOQW-MNOVXSKESA-N 1 1 321.385 -1.198 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)C1=O ZINC000996911811 663498525 /nfs/dbraw/zinc/49/85/25/663498525.db2.gz GKBMZFDELUBNKO-LLVKDONJSA-N 1 1 321.385 -1.231 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CN=NC2=O)C1=O ZINC001032366098 663500254 /nfs/dbraw/zinc/50/02/54/663500254.db2.gz VDLXCJIBLIKMEI-DCAQKATOSA-N 1 1 320.353 -1.501 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032365072 663500385 /nfs/dbraw/zinc/50/03/85/663500385.db2.gz LLZIAJFPVDODHA-MELADBBJSA-N 1 1 320.397 -1.106 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032365072 663500388 /nfs/dbraw/zinc/50/03/88/663500388.db2.gz LLZIAJFPVDODHA-MELADBBJSA-N 1 1 320.397 -1.106 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC000997003438 663500624 /nfs/dbraw/zinc/50/06/24/663500624.db2.gz VRNBOENSOVDSMG-ZJUUUORDSA-N 1 1 307.358 -1.588 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997106822 663502767 /nfs/dbraw/zinc/50/27/67/663502767.db2.gz MXVCQLNAXHFJMY-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997106822 663502769 /nfs/dbraw/zinc/50/27/69/663502769.db2.gz MXVCQLNAXHFJMY-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnnn2C)C1=O ZINC001032382170 663503402 /nfs/dbraw/zinc/50/34/02/663503402.db2.gz WIKGHLBENUSPNQ-GARJFASQSA-N 1 1 304.354 -1.056 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnnn2C)C1=O ZINC001032382170 663503403 /nfs/dbraw/zinc/50/34/03/663503403.db2.gz WIKGHLBENUSPNQ-GARJFASQSA-N 1 1 304.354 -1.056 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032384258 663503836 /nfs/dbraw/zinc/50/38/36/663503836.db2.gz JGHQFNUYVCNUCC-DCAQKATOSA-N 1 1 323.353 -1.595 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032384258 663503840 /nfs/dbraw/zinc/50/38/40/663503840.db2.gz JGHQFNUYVCNUCC-DCAQKATOSA-N 1 1 323.353 -1.595 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032389952 663504178 /nfs/dbraw/zinc/50/41/78/663504178.db2.gz WXTFPEXDVUQJGX-GARJFASQSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001032389952 663504179 /nfs/dbraw/zinc/50/41/79/663504179.db2.gz WXTFPEXDVUQJGX-GARJFASQSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(C)C2=O)n1 ZINC001032390054 663504390 /nfs/dbraw/zinc/50/43/90/663504390.db2.gz ABFXBMGBUTZHGI-DCAQKATOSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(C)C2=O)n1 ZINC001032390054 663504394 /nfs/dbraw/zinc/50/43/94/663504394.db2.gz ABFXBMGBUTZHGI-DCAQKATOSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(C)C2=O)nn1 ZINC001032388863 663504432 /nfs/dbraw/zinc/50/44/32/663504432.db2.gz KPIOOSCZZHVRNU-JBLDHEPKSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(C)C2=O)nn1 ZINC001032388863 663504436 /nfs/dbraw/zinc/50/44/36/663504436.db2.gz KPIOOSCZZHVRNU-JBLDHEPKSA-N 1 1 304.354 -1.056 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cnon1 ZINC000946146624 663505996 /nfs/dbraw/zinc/50/59/96/663505996.db2.gz IDTSIDOJUKLUPC-MVWJERBFSA-N 1 1 323.353 -1.023 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412068 663506829 /nfs/dbraw/zinc/50/68/29/663506829.db2.gz HAISGIVKQQNICX-UWVGGRQHSA-N 1 1 308.342 -1.692 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412068 663506833 /nfs/dbraw/zinc/50/68/33/663506833.db2.gz HAISGIVKQQNICX-UWVGGRQHSA-N 1 1 308.342 -1.692 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997169321 663506946 /nfs/dbraw/zinc/50/69/46/663506946.db2.gz YWBRDCAOMBZYNT-UHFFFAOYSA-N 1 1 321.385 -1.047 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412314 663507144 /nfs/dbraw/zinc/50/71/44/663507144.db2.gz SBILGBRPYIODMV-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC000997197042 663507271 /nfs/dbraw/zinc/50/72/71/663507271.db2.gz BWJFGVLCNAGOPP-JTQLQIEISA-N 1 1 307.358 -1.431 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412354 663507568 /nfs/dbraw/zinc/50/75/68/663507568.db2.gz UQRQFALOQXLIKC-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000997339925 663509664 /nfs/dbraw/zinc/50/96/64/663509664.db2.gz QKBCEGJCSLWKJH-SNVBAGLBSA-N 1 1 308.342 -1.616 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000997339925 663509666 /nfs/dbraw/zinc/50/96/66/663509666.db2.gz QKBCEGJCSLWKJH-SNVBAGLBSA-N 1 1 308.342 -1.616 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032425558 663509933 /nfs/dbraw/zinc/50/99/33/663509933.db2.gz YERYLJYDBHXIJD-RYUDHWBXSA-N 1 1 319.369 -1.412 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032425558 663509935 /nfs/dbraw/zinc/50/99/35/663509935.db2.gz YERYLJYDBHXIJD-RYUDHWBXSA-N 1 1 319.369 -1.412 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001032432808 663510354 /nfs/dbraw/zinc/51/03/54/663510354.db2.gz CRKWFARRQFPXDS-RYUDHWBXSA-N 1 1 322.365 -1.522 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCS1(=O)=O ZINC001032434704 663511199 /nfs/dbraw/zinc/51/11/99/663511199.db2.gz TWNDCPGJVNBYFO-RYUDHWBXSA-N 1 1 317.411 -1.047 20 0 DAADMO COCCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CC1=O ZINC001032434230 663511374 /nfs/dbraw/zinc/51/13/74/663511374.db2.gz XNFQIUFPTVPVHC-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO COCCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CC1=O ZINC001032434230 663511376 /nfs/dbraw/zinc/51/13/76/663511376.db2.gz XNFQIUFPTVPVHC-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032444431 663511444 /nfs/dbraw/zinc/51/14/44/663511444.db2.gz YNCOXIPLFXFMCH-RWMBFGLXSA-N 1 1 320.397 -1.416 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032466787 663511692 /nfs/dbraw/zinc/51/16/92/663511692.db2.gz YYUPWZULDBKDIF-QXEWZRGKSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032466787 663511693 /nfs/dbraw/zinc/51/16/93/663511693.db2.gz YYUPWZULDBKDIF-QXEWZRGKSA-N 1 1 303.322 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC000997390578 663512409 /nfs/dbraw/zinc/51/24/09/663512409.db2.gz QVOPYFQBJZERPM-GFCCVEGCSA-N 1 1 323.397 -2.161 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015993008 663512626 /nfs/dbraw/zinc/51/26/26/663512626.db2.gz TYNWBKYOWLDJPH-SECBINFHSA-N 1 1 306.326 -1.132 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC000997433039 663513705 /nfs/dbraw/zinc/51/37/05/663513705.db2.gz WIOOZZKKPYWLOE-YUSALJHKSA-N 1 1 308.382 -1.210 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997411117 663515109 /nfs/dbraw/zinc/51/51/09/663515109.db2.gz PLCUGILLFVDECQ-GHMZBOCLSA-N 1 1 310.354 -2.220 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997411117 663515113 /nfs/dbraw/zinc/51/51/13/663515113.db2.gz PLCUGILLFVDECQ-GHMZBOCLSA-N 1 1 310.354 -2.220 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997414477 663515883 /nfs/dbraw/zinc/51/58/83/663515883.db2.gz CYJKIAUVXUNYPD-LBPRGKRZSA-N 1 1 324.381 -1.828 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997428696 663516623 /nfs/dbraw/zinc/51/66/23/663516623.db2.gz ZTEZRAPOYHJMFE-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997428694 663516916 /nfs/dbraw/zinc/51/69/16/663516916.db2.gz ZTEZRAPOYHJMFE-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997428963 663517187 /nfs/dbraw/zinc/51/71/87/663517187.db2.gz CACSXXDZEGXZQI-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997451363 663519395 /nfs/dbraw/zinc/51/93/95/663519395.db2.gz NRSSQYQRBLCZFW-KOLCDFICSA-N 1 1 309.370 -1.711 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)NC1=O ZINC000997452133 663519751 /nfs/dbraw/zinc/51/97/51/663519751.db2.gz QHLLPKOTXHGQIB-LBPRGKRZSA-N 1 1 323.397 -1.179 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486381 663520143 /nfs/dbraw/zinc/52/01/43/663520143.db2.gz PYECYDBLKLGRSF-WOPDTQHZSA-N 1 1 309.370 -1.098 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncn(C)c1=O ZINC001032486379 663520445 /nfs/dbraw/zinc/52/04/45/663520445.db2.gz PYECYDBLKLGRSF-SRVKXCTJSA-N 1 1 309.370 -1.098 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3COCCO3)CC2)n1 ZINC000997564270 663521303 /nfs/dbraw/zinc/52/13/03/663521303.db2.gz GTIXQWFXVJIJNR-LBPRGKRZSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3COCCO3)CC2)n1 ZINC000997564269 663521351 /nfs/dbraw/zinc/52/13/51/663521351.db2.gz GTIXQWFXVJIJNR-GFCCVEGCSA-N 1 1 324.385 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O ZINC001032539469 663523242 /nfs/dbraw/zinc/52/32/42/663523242.db2.gz RJRFTRLIBMFFMX-SRVKXCTJSA-N 1 1 309.370 -1.362 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)N(C(C)=O)C1 ZINC001032541130 663523987 /nfs/dbraw/zinc/52/39/87/663523987.db2.gz DODPHCMZQBTPBC-XDQVBPFNSA-N 1 1 311.382 -1.100 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)N(C(C)=O)C1 ZINC001032541130 663523989 /nfs/dbraw/zinc/52/39/89/663523989.db2.gz DODPHCMZQBTPBC-XDQVBPFNSA-N 1 1 311.382 -1.100 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000997765321 663524908 /nfs/dbraw/zinc/52/49/08/663524908.db2.gz YQGXWTHXYVGJBJ-SNVBAGLBSA-N 1 1 323.353 -2.041 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1nnc[nH]1 ZINC000997818501 663527500 /nfs/dbraw/zinc/52/75/00/663527500.db2.gz WNZBGCNERFUVHF-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1ncn[nH]1 ZINC000997818501 663527503 /nfs/dbraw/zinc/52/75/03/663527503.db2.gz WNZBGCNERFUVHF-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1ncn[nH]1 ZINC000997818501 663527504 /nfs/dbraw/zinc/52/75/04/663527504.db2.gz WNZBGCNERFUVHF-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1nc[nH]n1 ZINC000997818501 663527506 /nfs/dbraw/zinc/52/75/06/663527506.db2.gz WNZBGCNERFUVHF-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1nc[nH]n1 ZINC000997818501 663527507 /nfs/dbraw/zinc/52/75/07/663527507.db2.gz WNZBGCNERFUVHF-QWRGUYRKSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1nnc[nH]1 ZINC000997818498 663527606 /nfs/dbraw/zinc/52/76/06/663527606.db2.gz WNZBGCNERFUVHF-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1ncn[nH]1 ZINC000997818498 663527608 /nfs/dbraw/zinc/52/76/08/663527608.db2.gz WNZBGCNERFUVHF-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1ncn[nH]1 ZINC000997818498 663527610 /nfs/dbraw/zinc/52/76/10/663527610.db2.gz WNZBGCNERFUVHF-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1nc[nH]n1 ZINC000997818498 663527611 /nfs/dbraw/zinc/52/76/11/663527611.db2.gz WNZBGCNERFUVHF-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1nc[nH]n1 ZINC000997818498 663527612 /nfs/dbraw/zinc/52/76/12/663527612.db2.gz WNZBGCNERFUVHF-MNOVXSKESA-N 1 1 320.353 -1.392 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001032558890 663527653 /nfs/dbraw/zinc/52/76/53/663527653.db2.gz NKQYWKTXCYYIIP-AGIUHOORSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032559957 663529324 /nfs/dbraw/zinc/52/93/24/663529324.db2.gz NQRIOSHGFNAZNY-SRVKXCTJSA-N 1 1 321.381 -2.408 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032559957 663529325 /nfs/dbraw/zinc/52/93/25/663529325.db2.gz NQRIOSHGFNAZNY-SRVKXCTJSA-N 1 1 321.381 -2.408 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997874074 663529622 /nfs/dbraw/zinc/52/96/22/663529622.db2.gz XCJJFVFXGKFHJX-PSASIEDQSA-N 1 1 307.358 -1.652 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000997873214 663529698 /nfs/dbraw/zinc/52/96/98/663529698.db2.gz MUKDZSLTXPCIGH-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997874078 663529809 /nfs/dbraw/zinc/52/98/09/663529809.db2.gz XCJJFVFXGKFHJX-SCZZXKLOSA-N 1 1 307.358 -1.652 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997876893 663530208 /nfs/dbraw/zinc/53/02/08/663530208.db2.gz YHCJIKDVZFCTKH-SNVBAGLBSA-N 1 1 323.357 -2.129 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997876893 663530212 /nfs/dbraw/zinc/53/02/12/663530212.db2.gz YHCJIKDVZFCTKH-SNVBAGLBSA-N 1 1 323.357 -2.129 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000997916780 663531660 /nfs/dbraw/zinc/53/16/60/663531660.db2.gz OPYKWRPCYNDDPA-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000997916780 663531664 /nfs/dbraw/zinc/53/16/64/663531664.db2.gz OPYKWRPCYNDDPA-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000997915047 663532279 /nfs/dbraw/zinc/53/22/79/663532279.db2.gz FVGOQXFTDNJFPM-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997945445 663533677 /nfs/dbraw/zinc/53/36/77/663533677.db2.gz NPPZOOIYQNGKIN-RQJABVFESA-N 1 1 323.393 -1.074 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997945445 663533679 /nfs/dbraw/zinc/53/36/79/663533679.db2.gz NPPZOOIYQNGKIN-RQJABVFESA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC000997962812 663534355 /nfs/dbraw/zinc/53/43/55/663534355.db2.gz SIHHYWHIZSNMIV-LLVKDONJSA-N 1 1 321.385 -1.326 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032597687 663535397 /nfs/dbraw/zinc/53/53/97/663535397.db2.gz ZATLBBFGGQXNEN-GARJFASQSA-N 1 1 305.342 -1.755 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032597687 663535400 /nfs/dbraw/zinc/53/54/00/663535400.db2.gz ZATLBBFGGQXNEN-GARJFASQSA-N 1 1 305.342 -1.755 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001032595237 663535466 /nfs/dbraw/zinc/53/54/66/663535466.db2.gz JRIBURYTPLBEDR-RWMBFGLXSA-N 1 1 318.381 -1.071 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001032595237 663535468 /nfs/dbraw/zinc/53/54/68/663535468.db2.gz JRIBURYTPLBEDR-RWMBFGLXSA-N 1 1 318.381 -1.071 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)C1=O ZINC001032600694 663536858 /nfs/dbraw/zinc/53/68/58/663536858.db2.gz WZQCPENGAGRXME-GARJFASQSA-N 1 1 306.366 -1.232 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(N)=O)CC2)C1=O ZINC001032600694 663536861 /nfs/dbraw/zinc/53/68/61/663536861.db2.gz WZQCPENGAGRXME-GARJFASQSA-N 1 1 306.366 -1.232 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998102795 663536972 /nfs/dbraw/zinc/53/69/72/663536972.db2.gz NKZRITQMMVVAAL-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC000946471163 663537005 /nfs/dbraw/zinc/53/70/05/663537005.db2.gz ARTMMRXMHRLHNY-UTUOFQBUSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000998179431 663537769 /nfs/dbraw/zinc/53/77/69/663537769.db2.gz VIDAIPIZBBPARL-UWVGGRQHSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccncn3)C2)C1 ZINC000998190271 663537851 /nfs/dbraw/zinc/53/78/51/663537851.db2.gz UAIAGQLQPMBNQW-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccncn3)C2)C1 ZINC000998190271 663537854 /nfs/dbraw/zinc/53/78/54/663537854.db2.gz UAIAGQLQPMBNQW-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC000998228504 663538558 /nfs/dbraw/zinc/53/85/58/663538558.db2.gz FMDYKWRWZMAYQS-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnon3)C2)C1 ZINC000998237819 663538583 /nfs/dbraw/zinc/53/85/83/663538583.db2.gz ADUUYYXVYBRGPZ-LLVKDONJSA-N 1 1 309.326 -1.269 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnon3)C2)C1 ZINC000998237819 663538586 /nfs/dbraw/zinc/53/85/86/663538586.db2.gz ADUUYYXVYBRGPZ-LLVKDONJSA-N 1 1 309.326 -1.269 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)C(N)=O ZINC000946509545 663540756 /nfs/dbraw/zinc/54/07/56/663540756.db2.gz VNNDMGOSMXAQKE-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1NC(=O)C(N)=O ZINC000946509534 663541021 /nfs/dbraw/zinc/54/10/21/663541021.db2.gz USDNRYPWYMMSLS-YJFSRANCSA-N 1 1 321.337 -1.660 20 0 DAADMO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001032631869 663541458 /nfs/dbraw/zinc/54/14/58/663541458.db2.gz CWCWIPKTCNEWNP-AUTRQRHGSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)[nH]1 ZINC001032631869 663541459 /nfs/dbraw/zinc/54/14/59/663541459.db2.gz CWCWIPKTCNEWNP-AUTRQRHGSA-N 1 1 317.349 -1.099 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998388149 663542136 /nfs/dbraw/zinc/54/21/36/663542136.db2.gz ZWHORXAAQHEGDE-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998388149 663542141 /nfs/dbraw/zinc/54/21/41/663542141.db2.gz ZWHORXAAQHEGDE-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998485761 663542832 /nfs/dbraw/zinc/54/28/32/663542832.db2.gz UBFKUHPNUWNOOU-VQXHTEKXSA-N 1 1 310.358 -1.296 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998486578 663542917 /nfs/dbraw/zinc/54/29/17/663542917.db2.gz ABIAHQAKUNSRPE-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998492088 663542985 /nfs/dbraw/zinc/54/29/85/663542985.db2.gz XHJLQWLWPRSAJR-NXEZZACHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC000998491859 663543304 /nfs/dbraw/zinc/54/33/04/663543304.db2.gz XAJNJUVUESXEGI-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CN(C(=O)c1nccnc1N)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998554324 663543531 /nfs/dbraw/zinc/54/35/31/663543531.db2.gz VFXPIVNRBKLPES-UHFFFAOYSA-N 1 1 317.357 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998577791 663544215 /nfs/dbraw/zinc/54/42/15/663544215.db2.gz QQLJHSRVRHQLSO-NSHDSACASA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998577791 663544217 /nfs/dbraw/zinc/54/42/17/663544217.db2.gz QQLJHSRVRHQLSO-NSHDSACASA-N 1 1 321.337 -1.959 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998574812 663544437 /nfs/dbraw/zinc/54/44/37/663544437.db2.gz SFQZIYICAPNBFD-VIFPVBQESA-N 1 1 305.338 -1.338 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998647767 663544697 /nfs/dbraw/zinc/54/46/97/663544697.db2.gz MTQRCZCREWMGEF-VIFPVBQESA-N 1 1 316.387 -1.665 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)CCO1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998584976 663544714 /nfs/dbraw/zinc/54/47/14/663544714.db2.gz IKJTXKMDWPZKLL-MCIGGMRASA-N 1 1 323.401 -1.380 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998652047 663544740 /nfs/dbraw/zinc/54/47/40/663544740.db2.gz WJMCDTOKLVDJIL-UHFFFAOYSA-N 1 1 321.345 -1.714 20 0 DAADMO CN(C(=O)[C@@H]1CCNC(=O)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998618470 663544750 /nfs/dbraw/zinc/54/47/50/663544750.db2.gz MGIDHLJWYCBXBA-KPPDAEKUSA-N 1 1 321.385 -1.185 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC(NCc2nnn(C)n2)C1 ZINC000998585342 663545008 /nfs/dbraw/zinc/54/50/08/663545008.db2.gz IZWUAAMVFHGTSX-MCIGGMRASA-N 1 1 323.401 -1.380 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC(NCc2nnn(C)n2)C1 ZINC000998585342 663545010 /nfs/dbraw/zinc/54/50/10/663545010.db2.gz IZWUAAMVFHGTSX-MCIGGMRASA-N 1 1 323.401 -1.380 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998669942 663545529 /nfs/dbraw/zinc/54/55/29/663545529.db2.gz HZGMYOBNLVCVBV-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998674040 663547027 /nfs/dbraw/zinc/54/70/27/663547027.db2.gz LVAXVGMENJGWOQ-VHSXEESVSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998674040 663547029 /nfs/dbraw/zinc/54/70/29/663547029.db2.gz LVAXVGMENJGWOQ-VHSXEESVSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC000998677926 663548231 /nfs/dbraw/zinc/54/82/31/663548231.db2.gz HSPLETYONPOSHE-NSHDSACASA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998678932 663548491 /nfs/dbraw/zinc/54/84/91/663548491.db2.gz ATUGHJDSKZFGMH-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998678537 663548702 /nfs/dbraw/zinc/54/87/02/663548702.db2.gz KFZIGUUBNZGMAF-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998707139 663549426 /nfs/dbraw/zinc/54/94/26/663549426.db2.gz AJLHBPGPLRUEGC-HACHORDNSA-N 1 1 309.330 -1.603 20 0 DAADMO CN(C(=O)c1ncn(C)n1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998732583 663551963 /nfs/dbraw/zinc/55/19/63/663551963.db2.gz FKZRUNNBZAZSOA-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1nnc(CC(=O)N(C)C2CC([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC000998744217 663552020 /nfs/dbraw/zinc/55/20/20/663552020.db2.gz NOAZBZKMRIRVGC-UHFFFAOYSA-N 1 1 319.373 -1.042 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000998781268 663552570 /nfs/dbraw/zinc/55/25/70/663552570.db2.gz QMJNNRBQZFFSBJ-SECBINFHSA-N 1 1 307.358 -1.036 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000998780047 663552577 /nfs/dbraw/zinc/55/25/77/663552577.db2.gz INOSOPGYPKZGEO-JTQLQIEISA-N 1 1 322.369 -1.236 20 0 DAADMO CN(C(=O)[C@H]1CCCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998935553 663553219 /nfs/dbraw/zinc/55/32/19/663553219.db2.gz LTNULDUIBMADRL-ILDUYXDCSA-N 1 1 321.385 -1.185 20 0 DAADMO CN(C(=O)[C@H]1CCCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998956739 663553884 /nfs/dbraw/zinc/55/38/84/663553884.db2.gz JTZUOHMHCSPKIJ-VQXHTEKXSA-N 1 1 321.385 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999144380 663556505 /nfs/dbraw/zinc/55/65/05/663556505.db2.gz HZJNQZFXZQNIIQ-ABAIWWIYSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999144380 663556512 /nfs/dbraw/zinc/55/65/12/663556512.db2.gz HZJNQZFXZQNIIQ-ABAIWWIYSA-N 1 1 324.381 -1.687 20 0 DAADMO CN(C(=O)[C@]1(C)CNC(=O)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999166713 663556540 /nfs/dbraw/zinc/55/65/40/663556540.db2.gz YENLIBOOMMQECT-FDZGAKKTSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 ZINC000999161690 663556575 /nfs/dbraw/zinc/55/65/75/663556575.db2.gz KCSUOTIWRLISDH-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001032654435 663556995 /nfs/dbraw/zinc/55/69/95/663556995.db2.gz ZYKNUALWKVSBRF-NAKRPEOUSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032653995 663557188 /nfs/dbraw/zinc/55/71/88/663557188.db2.gz LPIGQNFCWOTRCR-RHYQMDGZSA-N 1 1 322.365 -1.094 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001032661697 663557892 /nfs/dbraw/zinc/55/78/92/663557892.db2.gz DCKDKCIAMGIFST-UWVGGRQHSA-N 1 1 324.337 -1.662 20 0 DAADMO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999252937 663558162 /nfs/dbraw/zinc/55/81/62/663558162.db2.gz HPWNEDODFMTKJT-AFPNSQJFSA-N 1 1 320.361 -1.313 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684466 663558291 /nfs/dbraw/zinc/55/82/91/663558291.db2.gz QUTJUDGOAKESIL-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032686727 663558322 /nfs/dbraw/zinc/55/83/22/663558322.db2.gz GILAKQKHPCHJHQ-LPEHRKFASA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032686727 663558326 /nfs/dbraw/zinc/55/83/26/663558326.db2.gz GILAKQKHPCHJHQ-LPEHRKFASA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032681409 663558416 /nfs/dbraw/zinc/55/84/16/663558416.db2.gz WBQWJAPOVUCJBQ-GARJFASQSA-N 1 1 320.349 -1.787 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032681409 663558418 /nfs/dbraw/zinc/55/84/18/663558418.db2.gz WBQWJAPOVUCJBQ-GARJFASQSA-N 1 1 320.349 -1.787 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001032682982 663558483 /nfs/dbraw/zinc/55/84/83/663558483.db2.gz SLBKJSGKGUZAPU-NHCYSSNCSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001032682982 663558485 /nfs/dbraw/zinc/55/84/85/663558485.db2.gz SLBKJSGKGUZAPU-NHCYSSNCSA-N 1 1 304.354 -1.008 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032679562 663558562 /nfs/dbraw/zinc/55/85/62/663558562.db2.gz VLUBDTXWKYMUPP-USQDWFKJSA-N 1 1 308.338 -1.748 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032679562 663558564 /nfs/dbraw/zinc/55/85/64/663558564.db2.gz VLUBDTXWKYMUPP-USQDWFKJSA-N 1 1 308.338 -1.748 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032683196 663558678 /nfs/dbraw/zinc/55/86/78/663558678.db2.gz YCVDAHMZJGUDIE-QXEWZRGKSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)n1 ZINC001032683196 663558680 /nfs/dbraw/zinc/55/86/80/663558680.db2.gz YCVDAHMZJGUDIE-QXEWZRGKSA-N 1 1 318.337 -1.481 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)c1 ZINC001032703751 663559289 /nfs/dbraw/zinc/55/92/89/663559289.db2.gz GPEQFLONKVQIDP-NHCYSSNCSA-N 1 1 317.349 -1.099 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)c1 ZINC001032703751 663559290 /nfs/dbraw/zinc/55/92/90/663559290.db2.gz GPEQFLONKVQIDP-NHCYSSNCSA-N 1 1 317.349 -1.099 20 0 DAADMO CN(C(=O)c1cnn(C)n1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999550616 663561768 /nfs/dbraw/zinc/56/17/68/663561768.db2.gz CYVDVYMDFVCAFF-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032715401 663561937 /nfs/dbraw/zinc/56/19/37/663561937.db2.gz AOSYYWZWVQYECJ-UWVGGRQHSA-N 1 1 310.354 -1.406 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032715401 663561938 /nfs/dbraw/zinc/56/19/38/663561938.db2.gz AOSYYWZWVQYECJ-UWVGGRQHSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCC(=O)NC1=O ZINC001032718725 663562777 /nfs/dbraw/zinc/56/27/77/663562777.db2.gz KCCIXSXOIKPCAQ-VWYCJHECSA-N 1 1 310.354 -1.406 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@]2(C)CCNC2=O)C1 ZINC000999793347 663564284 /nfs/dbraw/zinc/56/42/84/663564284.db2.gz KLJNUJXBRKFPHJ-IAQYHMDHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999836162 663566694 /nfs/dbraw/zinc/56/66/94/663566694.db2.gz GRLAKTMMHLFKJV-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000999788894 663566948 /nfs/dbraw/zinc/56/69/48/663566948.db2.gz GXUVYIRMJQARBR-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999849184 663566961 /nfs/dbraw/zinc/56/69/61/663566961.db2.gz QYAVBASDZWWUNE-SECBINFHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000999847617 663566968 /nfs/dbraw/zinc/56/69/68/663566968.db2.gz LJPOGYPPQBSLAW-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000999847624 663567179 /nfs/dbraw/zinc/56/71/79/663567179.db2.gz LJPOGYPPQBSLAW-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1 ZINC000999889093 663567510 /nfs/dbraw/zinc/56/75/10/663567510.db2.gz DKEBWPXVZXOCSB-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1 ZINC000999889093 663567512 /nfs/dbraw/zinc/56/75/12/663567512.db2.gz DKEBWPXVZXOCSB-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC000999889741 663567686 /nfs/dbraw/zinc/56/76/86/663567686.db2.gz KIVUIFANGJDOSC-CMPLNLGQSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000999887547 663567830 /nfs/dbraw/zinc/56/78/30/663567830.db2.gz FEIHLOLDTZWLFL-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000999869909 663568083 /nfs/dbraw/zinc/56/80/83/663568083.db2.gz JGFGFYGXYYRBNG-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000999874065 663568200 /nfs/dbraw/zinc/56/82/00/663568200.db2.gz ZPEUCUUDXLJCRD-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000999876355 663568312 /nfs/dbraw/zinc/56/83/12/663568312.db2.gz HENKYRNFJHGOMO-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC000999872759 663568330 /nfs/dbraw/zinc/56/83/30/663568330.db2.gz CQZVARUBZRXISC-WOPDTQHZSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000999878101 663568769 /nfs/dbraw/zinc/56/87/69/663568769.db2.gz PWUGGBAREIFWKV-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999882221 663568843 /nfs/dbraw/zinc/56/88/43/663568843.db2.gz OBKFDVABOGFNMU-ONGXEEELSA-N 1 1 307.358 -1.802 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)C2 ZINC000999877574 663568959 /nfs/dbraw/zinc/56/89/59/663568959.db2.gz OXYHOAPDSWLFEZ-JTQLQIEISA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CN(C(=O)C(N)=O)C1)C2 ZINC000999879045 663568981 /nfs/dbraw/zinc/56/89/81/663568981.db2.gz GGQVCSPDRLFCBC-VIFPVBQESA-N 1 1 305.338 -1.434 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000999881865 663568996 /nfs/dbraw/zinc/56/89/96/663568996.db2.gz FTFHHQYTUNNCNA-JQWIXIFHSA-N 1 1 306.370 -1.197 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999900149 663569354 /nfs/dbraw/zinc/56/93/54/663569354.db2.gz ONTDZAQWVDQZNH-UHFFFAOYSA-N 1 1 321.337 -1.304 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000999918702 663569990 /nfs/dbraw/zinc/56/99/90/663569990.db2.gz WBJAJNDFKJLGFF-WQGACYEGSA-N 1 1 320.393 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999922310 663570297 /nfs/dbraw/zinc/57/02/97/663570297.db2.gz JXIWHWQMDJZMHA-VWYCJHECSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999922310 663570299 /nfs/dbraw/zinc/57/02/99/663570299.db2.gz JXIWHWQMDJZMHA-VWYCJHECSA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999957751 663571305 /nfs/dbraw/zinc/57/13/05/663571305.db2.gz XLQDSTGWGOPVAV-NSHDSACASA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]c3)nn2)C1 ZINC000999957751 663571307 /nfs/dbraw/zinc/57/13/07/663571307.db2.gz XLQDSTGWGOPVAV-NSHDSACASA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC000999956548 663571329 /nfs/dbraw/zinc/57/13/29/663571329.db2.gz PYLAZLWQCMQDBK-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC000999956548 663571331 /nfs/dbraw/zinc/57/13/31/663571331.db2.gz PYLAZLWQCMQDBK-SNVBAGLBSA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC000999958660 663571783 /nfs/dbraw/zinc/57/17/83/663571783.db2.gz CGZHRSHBWGKWJC-NWDGAFQWSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC000999958660 663571785 /nfs/dbraw/zinc/57/17/85/663571785.db2.gz CGZHRSHBWGKWJC-NWDGAFQWSA-N 1 1 322.369 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000999983673 663572134 /nfs/dbraw/zinc/57/21/34/663572134.db2.gz LKNKKXJHTDGSDH-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CCNC1=O ZINC001000012910 663572220 /nfs/dbraw/zinc/57/22/20/663572220.db2.gz FSNWUTWFQLOSFT-VXGBXAGGSA-N 1 1 322.369 -1.731 20 0 DAADMO CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001000017926 663572258 /nfs/dbraw/zinc/57/22/58/663572258.db2.gz WAMQOZDNAQETGU-GHMZBOCLSA-N 1 1 307.358 -1.158 20 0 DAADMO Cc1nn[nH]c1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000014788 663572265 /nfs/dbraw/zinc/57/22/65/663572265.db2.gz KXPDMNSKNHCREO-LLVKDONJSA-N 1 1 320.357 -1.126 20 0 DAADMO Cn1cnc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC000999988282 663572484 /nfs/dbraw/zinc/57/24/84/663572484.db2.gz BAQOIVIZNAEBBI-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)[nH]1 ZINC001000046935 663573050 /nfs/dbraw/zinc/57/30/50/663573050.db2.gz GBQGKLRPQKOERL-UWVGGRQHSA-N 1 1 307.358 -1.125 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1cn[nH]n1 ZINC001000002551 663573091 /nfs/dbraw/zinc/57/30/91/663573091.db2.gz KCQHLLVSFLIADF-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)c1cnn[nH]1 ZINC001000002551 663573098 /nfs/dbraw/zinc/57/30/98/663573098.db2.gz KCQHLLVSFLIADF-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1cnn[nH]1 ZINC001000002551 663573102 /nfs/dbraw/zinc/57/31/02/663573102.db2.gz KCQHLLVSFLIADF-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000003218 663573170 /nfs/dbraw/zinc/57/31/70/663573170.db2.gz OCIFUKXNQDDKAT-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003218 663573175 /nfs/dbraw/zinc/57/31/75/663573175.db2.gz OCIFUKXNQDDKAT-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003218 663573178 /nfs/dbraw/zinc/57/31/78/663573178.db2.gz OCIFUKXNQDDKAT-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000003216 663573201 /nfs/dbraw/zinc/57/32/01/663573201.db2.gz OCIFUKXNQDDKAT-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003216 663573204 /nfs/dbraw/zinc/57/32/04/663573204.db2.gz OCIFUKXNQDDKAT-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003216 663573209 /nfs/dbraw/zinc/57/32/09/663573209.db2.gz OCIFUKXNQDDKAT-GXSJLCMTSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001000046971 663573458 /nfs/dbraw/zinc/57/34/58/663573458.db2.gz GXHMDTCLJKOMMX-ONGXEEELSA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001000024703 663574170 /nfs/dbraw/zinc/57/41/70/663574170.db2.gz KZUVDNWJBVXNEF-UTUOFQBUSA-N 1 1 322.369 -1.745 20 0 DAADMO Cn1ncc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC001000031199 663574311 /nfs/dbraw/zinc/57/43/11/663574311.db2.gz WQFHLHGWLIJXLN-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO C[C@]1(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CCS(=O)(=O)N1 ZINC001032753492 663580294 /nfs/dbraw/zinc/58/02/94/663580294.db2.gz UWWQKSUNUYZWEN-GMXVVIOVSA-N 1 1 317.411 -1.264 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001000202677 663582325 /nfs/dbraw/zinc/58/23/25/663582325.db2.gz WGEVAJSRBNJAES-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001032766296 663582904 /nfs/dbraw/zinc/58/29/04/663582904.db2.gz YMTXMEQWYKWDRF-DCAQKATOSA-N 1 1 324.381 -1.017 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1=O ZINC001032770999 663583799 /nfs/dbraw/zinc/58/37/99/663583799.db2.gz LGWGZLAKFOXNPX-QWRGUYRKSA-N 1 1 310.354 -1.452 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1C(N)=O ZINC001032773126 663583837 /nfs/dbraw/zinc/58/38/37/663583837.db2.gz OTKYRMDYLTYXQC-UTLUCORTSA-N 1 1 305.338 -1.145 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1C(N)=O ZINC001032773126 663583840 /nfs/dbraw/zinc/58/38/40/663583840.db2.gz OTKYRMDYLTYXQC-UTLUCORTSA-N 1 1 305.338 -1.145 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032770336 663583845 /nfs/dbraw/zinc/58/38/45/663583845.db2.gz UEZPPJXONDWEAA-DCAQKATOSA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032771591 663583887 /nfs/dbraw/zinc/58/38/87/663583887.db2.gz VPZVKYLAAFDKKQ-SRVKXCTJSA-N 1 1 322.365 -1.140 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001032770142 663583986 /nfs/dbraw/zinc/58/39/86/663583986.db2.gz KCJYUFBWNQIUFU-DCAQKATOSA-N 1 1 310.354 -1.094 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001032771218 663584203 /nfs/dbraw/zinc/58/42/03/663584203.db2.gz PXPLRPVEBJXOFZ-VWYCJHECSA-N 1 1 310.354 -1.142 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001032770143 663584214 /nfs/dbraw/zinc/58/42/14/663584214.db2.gz KCJYUFBWNQIUFU-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189931 663584559 /nfs/dbraw/zinc/58/45/59/663584559.db2.gz IUBHSCNGORBJID-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189931 663584564 /nfs/dbraw/zinc/58/45/64/663584564.db2.gz IUBHSCNGORBJID-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189928 663584630 /nfs/dbraw/zinc/58/46/30/663584630.db2.gz IUBHSCNGORBJID-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189928 663584632 /nfs/dbraw/zinc/58/46/32/663584632.db2.gz IUBHSCNGORBJID-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001032780617 663584762 /nfs/dbraw/zinc/58/47/62/663584762.db2.gz SYQQCHYJUCAQAW-UTLUCORTSA-N 1 1 308.338 -1.235 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189930 663584833 /nfs/dbraw/zinc/58/48/33/663584833.db2.gz IUBHSCNGORBJID-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189930 663584837 /nfs/dbraw/zinc/58/48/37/663584837.db2.gz IUBHSCNGORBJID-MWLCHTKSSA-N 1 1 307.354 -1.152 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206927 663586302 /nfs/dbraw/zinc/58/63/02/663586302.db2.gz BFDJLOINNPOEGK-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206927 663586303 /nfs/dbraw/zinc/58/63/03/663586303.db2.gz BFDJLOINNPOEGK-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032788413 663586310 /nfs/dbraw/zinc/58/63/10/663586310.db2.gz CAZAKBFOTFTWKX-DCAQKATOSA-N 1 1 303.384 -1.654 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001000465829 663586570 /nfs/dbraw/zinc/58/65/70/663586570.db2.gz VEOWNHDVVMSPKF-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000482639 663587551 /nfs/dbraw/zinc/58/75/51/663587551.db2.gz RVUNSHURAMUIBF-SECBINFHSA-N 1 1 322.325 -1.298 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016209910 663587561 /nfs/dbraw/zinc/58/75/61/663587561.db2.gz VREMFIXFHUFOBD-VHSXEESVSA-N 1 1 308.338 -1.786 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016209910 663587562 /nfs/dbraw/zinc/58/75/62/663587562.db2.gz VREMFIXFHUFOBD-VHSXEESVSA-N 1 1 308.338 -1.786 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540888 663588285 /nfs/dbraw/zinc/58/82/85/663588285.db2.gz ZHNMKWPQEXDCQV-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)O1 ZINC001000565964 663588807 /nfs/dbraw/zinc/58/88/07/663588807.db2.gz YCTCZDGRHSYHME-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)O1 ZINC001000565964 663588808 /nfs/dbraw/zinc/58/88/08/663588808.db2.gz YCTCZDGRHSYHME-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000643063 663590136 /nfs/dbraw/zinc/59/01/36/663590136.db2.gz KQIYJOUJCMBTIA-MWLCHTKSSA-N 1 1 310.354 -1.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000643063 663590137 /nfs/dbraw/zinc/59/01/37/663590137.db2.gz KQIYJOUJCMBTIA-MWLCHTKSSA-N 1 1 310.354 -1.022 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001000641345 663590518 /nfs/dbraw/zinc/59/05/18/663590518.db2.gz XUHMTLWTGCFMON-GHMZBOCLSA-N 1 1 308.338 -1.268 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001000641345 663590519 /nfs/dbraw/zinc/59/05/19/663590519.db2.gz XUHMTLWTGCFMON-GHMZBOCLSA-N 1 1 308.338 -1.268 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217203 663591066 /nfs/dbraw/zinc/59/10/66/663591066.db2.gz RVJOCTULOXLVKW-GXSJLCMTSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217203 663591069 /nfs/dbraw/zinc/59/10/69/663591069.db2.gz RVJOCTULOXLVKW-GXSJLCMTSA-N 1 1 311.386 -1.159 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(=O)NCC23COC3)C1 ZINC000921806041 663592463 /nfs/dbraw/zinc/59/24/63/663592463.db2.gz BLCSIEJVHFOOLG-HNNXBMFYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001001041194 663593429 /nfs/dbraw/zinc/59/34/29/663593429.db2.gz SWOGLAMGSUFSKY-VXGBXAGGSA-N 1 1 306.366 -1.241 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001001041194 663593433 /nfs/dbraw/zinc/59/34/33/663593433.db2.gz SWOGLAMGSUFSKY-VXGBXAGGSA-N 1 1 306.366 -1.241 20 0 DAADMO CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001000985259 663593470 /nfs/dbraw/zinc/59/34/70/663593470.db2.gz MYXYJQMFZBKNQV-NSHDSACASA-N 1 1 315.395 -1.332 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001001019104 663593525 /nfs/dbraw/zinc/59/35/25/663593525.db2.gz YHUXBSSUUCSVSM-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC001001058138 663594075 /nfs/dbraw/zinc/59/40/75/663594075.db2.gz XUBIHTJOBPILAN-SNVBAGLBSA-N 1 1 305.342 -1.540 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC001001058138 663594078 /nfs/dbraw/zinc/59/40/78/663594078.db2.gz XUBIHTJOBPILAN-SNVBAGLBSA-N 1 1 305.342 -1.540 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056388 663594131 /nfs/dbraw/zinc/59/41/31/663594131.db2.gz RGUQZOAFHVXXJZ-JTQLQIEISA-N 1 1 307.358 -1.164 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001001034591 663594521 /nfs/dbraw/zinc/59/45/21/663594521.db2.gz DAKLMIHAWRRQRA-VXGBXAGGSA-N 1 1 308.382 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001001034591 663594523 /nfs/dbraw/zinc/59/45/23/663594523.db2.gz DAKLMIHAWRRQRA-VXGBXAGGSA-N 1 1 308.382 -1.008 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCn2cncn2)CC1)[C@@H]1CNC(=O)N1 ZINC001001107150 663594741 /nfs/dbraw/zinc/59/47/41/663594741.db2.gz UMDBEOMZGRUKPX-LBPRGKRZSA-N 1 1 319.369 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001001097044 663595171 /nfs/dbraw/zinc/59/51/71/663595171.db2.gz QURNESGPQPGBTK-UHFFFAOYSA-N 1 1 305.338 -1.122 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001001097044 663595173 /nfs/dbraw/zinc/59/51/73/663595173.db2.gz QURNESGPQPGBTK-UHFFFAOYSA-N 1 1 305.338 -1.122 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001105204 663595275 /nfs/dbraw/zinc/59/52/75/663595275.db2.gz JPEYHRMSUFKFOM-KOLCDFICSA-N 1 1 309.370 -1.449 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001105204 663595276 /nfs/dbraw/zinc/59/52/76/663595276.db2.gz JPEYHRMSUFKFOM-KOLCDFICSA-N 1 1 309.370 -1.449 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)n(C)c1=O ZINC001032805278 663595545 /nfs/dbraw/zinc/59/55/45/663595545.db2.gz LUGBXYHMSUNIKS-GARJFASQSA-N 1 1 319.365 -1.489 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)n(C)c1=O ZINC001032805278 663595549 /nfs/dbraw/zinc/59/55/49/663595549.db2.gz LUGBXYHMSUNIKS-GARJFASQSA-N 1 1 319.365 -1.489 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001108066 663595772 /nfs/dbraw/zinc/59/57/72/663595772.db2.gz YVSNGDVYBFGQNW-NSHDSACASA-N 1 1 309.370 -1.496 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001108066 663595778 /nfs/dbraw/zinc/59/57/78/663595778.db2.gz YVSNGDVYBFGQNW-NSHDSACASA-N 1 1 309.370 -1.496 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001001109864 663596125 /nfs/dbraw/zinc/59/61/25/663596125.db2.gz AVZLBVWKHXVMLQ-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001001109864 663596127 /nfs/dbraw/zinc/59/61/27/663596127.db2.gz AVZLBVWKHXVMLQ-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001108104 663596238 /nfs/dbraw/zinc/59/62/38/663596238.db2.gz ZJPICJKBQHTWMT-PWSUYJOCSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141179 663596548 /nfs/dbraw/zinc/59/65/48/663596548.db2.gz DQZQEVIRSWJBQP-NWDGAFQWSA-N 1 1 324.381 -1.486 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141179 663596551 /nfs/dbraw/zinc/59/65/51/663596551.db2.gz DQZQEVIRSWJBQP-NWDGAFQWSA-N 1 1 324.381 -1.486 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141633 663596627 /nfs/dbraw/zinc/59/66/27/663596627.db2.gz KJOPPOSLULCDPF-ADEWGFFLSA-N 1 1 324.381 -1.359 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141633 663596632 /nfs/dbraw/zinc/59/66/32/663596632.db2.gz KJOPPOSLULCDPF-ADEWGFFLSA-N 1 1 324.381 -1.359 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001159198 663596675 /nfs/dbraw/zinc/59/66/75/663596675.db2.gz JJEOSSPAZQOCTP-WCQGTBRESA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001159198 663596679 /nfs/dbraw/zinc/59/66/79/663596679.db2.gz JJEOSSPAZQOCTP-WCQGTBRESA-N 1 1 308.382 -1.009 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001001223281 663597206 /nfs/dbraw/zinc/59/72/06/663597206.db2.gz RVJJRTLXSCGQIQ-WDEREUQCSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001001223834 663597232 /nfs/dbraw/zinc/59/72/32/663597232.db2.gz WIOCVFLQMMALRS-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001001222792 663597322 /nfs/dbraw/zinc/59/73/22/663597322.db2.gz QUHAUYOENBZWMD-LLVKDONJSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216847 663597363 /nfs/dbraw/zinc/59/73/63/663597363.db2.gz SKPZRZVULZOAHL-ONGXEEELSA-N 1 1 310.354 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC001001218045 663597392 /nfs/dbraw/zinc/59/73/92/663597392.db2.gz JDPSGWAHIFLPOX-RYUDHWBXSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001001219309 663597420 /nfs/dbraw/zinc/59/74/20/663597420.db2.gz RACNNUNREPTKDY-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216244 663597442 /nfs/dbraw/zinc/59/74/42/663597442.db2.gz MAQXDUMZARMHQK-WPRPVWTQSA-N 1 1 323.353 -1.793 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216244 663597444 /nfs/dbraw/zinc/59/74/44/663597444.db2.gz MAQXDUMZARMHQK-WPRPVWTQSA-N 1 1 323.353 -1.793 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001001207594 663597733 /nfs/dbraw/zinc/59/77/33/663597733.db2.gz MGVSJXFGIPDPSI-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001001202645 663597797 /nfs/dbraw/zinc/59/77/97/663597797.db2.gz CYCPMPYORXUXRP-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)CN2CCOCC2)C1 ZINC001001207658 663597813 /nfs/dbraw/zinc/59/78/13/663597813.db2.gz NIAWNRYQEDOXER-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001001203865 663597945 /nfs/dbraw/zinc/59/79/45/663597945.db2.gz LWUOLPLYFOUZSY-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001296943 663598577 /nfs/dbraw/zinc/59/85/77/663598577.db2.gz OVPURXQGROCVSI-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001296943 663598584 /nfs/dbraw/zinc/59/85/84/663598584.db2.gz OVPURXQGROCVSI-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1nonc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297037 663598614 /nfs/dbraw/zinc/59/86/14/663598614.db2.gz PXZMUEJOQLBRAB-NSHDSACASA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1nonc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297037 663598618 /nfs/dbraw/zinc/59/86/18/663598618.db2.gz PXZMUEJOQLBRAB-NSHDSACASA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1nonc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297036 663598886 /nfs/dbraw/zinc/59/88/86/663598886.db2.gz PXZMUEJOQLBRAB-LLVKDONJSA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1nonc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297036 663598889 /nfs/dbraw/zinc/59/88/89/663598889.db2.gz PXZMUEJOQLBRAB-LLVKDONJSA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297067 663598975 /nfs/dbraw/zinc/59/89/75/663598975.db2.gz QGXWXXRSEKZIMJ-NSHDSACASA-N 1 1 322.369 -1.368 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297067 663598977 /nfs/dbraw/zinc/59/89/77/663598977.db2.gz QGXWXXRSEKZIMJ-NSHDSACASA-N 1 1 322.369 -1.368 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001294495 663599665 /nfs/dbraw/zinc/59/96/65/663599665.db2.gz AFSOUTCLVPIXEJ-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1ncc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001294495 663599670 /nfs/dbraw/zinc/59/96/70/663599670.db2.gz AFSOUTCLVPIXEJ-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001295060 663599723 /nfs/dbraw/zinc/59/97/23/663599723.db2.gz DQCHROGTKXTEIK-NWDGAFQWSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001295060 663599725 /nfs/dbraw/zinc/59/97/25/663599725.db2.gz DQCHROGTKXTEIK-NWDGAFQWSA-N 1 1 324.381 -1.972 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001001297872 663599754 /nfs/dbraw/zinc/59/97/54/663599754.db2.gz URJPZGFVOKJBLH-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001314083 663600438 /nfs/dbraw/zinc/60/04/38/663600438.db2.gz YMRPPOGXIYWEIN-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001314083 663600439 /nfs/dbraw/zinc/60/04/39/663600439.db2.gz YMRPPOGXIYWEIN-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001303498 663600474 /nfs/dbraw/zinc/60/04/74/663600474.db2.gz PDXNSVTUFNXKNA-WOPDTQHZSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001303498 663600481 /nfs/dbraw/zinc/60/04/81/663600481.db2.gz PDXNSVTUFNXKNA-WOPDTQHZSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001303118 663601044 /nfs/dbraw/zinc/60/10/44/663601044.db2.gz NIOYHAKEBTVBME-LLVKDONJSA-N 1 1 324.381 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001001303118 663601047 /nfs/dbraw/zinc/60/10/47/663601047.db2.gz NIOYHAKEBTVBME-LLVKDONJSA-N 1 1 324.381 -1.843 20 0 DAADMO O=C(NCC1=CC[N@@H+](CCO)CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001001367404 663601124 /nfs/dbraw/zinc/60/11/24/663601124.db2.gz XKCNGWHUQODSCO-UHFFFAOYSA-N 1 1 318.337 -1.228 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001457708 663601636 /nfs/dbraw/zinc/60/16/36/663601636.db2.gz ZVAGHYOIWJAMGU-SNVBAGLBSA-N 1 1 316.383 -2.088 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001457708 663601637 /nfs/dbraw/zinc/60/16/37/663601637.db2.gz ZVAGHYOIWJAMGU-SNVBAGLBSA-N 1 1 316.383 -2.088 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001001471812 663602217 /nfs/dbraw/zinc/60/22/17/663602217.db2.gz MQQCXEDCSKCLMA-JTQLQIEISA-N 1 1 322.369 -1.494 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001001499365 663602463 /nfs/dbraw/zinc/60/24/63/663602463.db2.gz VMGKTRDJLXYWFO-NSHDSACASA-N 1 1 309.370 -1.237 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001001499365 663602466 /nfs/dbraw/zinc/60/24/66/663602466.db2.gz VMGKTRDJLXYWFO-NSHDSACASA-N 1 1 309.370 -1.237 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001001668730 663604849 /nfs/dbraw/zinc/60/48/49/663604849.db2.gz HWBQHSDEMBXQDF-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001001689218 663605565 /nfs/dbraw/zinc/60/55/65/663605565.db2.gz XGPVYYQRBXJVOG-MNOVXSKESA-N 1 1 310.354 -1.379 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001001714955 663605947 /nfs/dbraw/zinc/60/59/47/663605947.db2.gz NBXXXNRFYICHOI-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001001714955 663605949 /nfs/dbraw/zinc/60/59/49/663605949.db2.gz NBXXXNRFYICHOI-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)c3nnn(C)n3)CC2)nn1 ZINC001001726298 663606791 /nfs/dbraw/zinc/60/67/91/663606791.db2.gz GVTWRCCGOQNHFY-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001728161 663607979 /nfs/dbraw/zinc/60/79/79/663607979.db2.gz PHPYMPLRQAKYAT-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1nncc1C[NH+]1CCC(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001782729 663609838 /nfs/dbraw/zinc/60/98/38/663609838.db2.gz PQJWQVROGZZZBM-GFCCVEGCSA-N 1 1 321.385 -1.175 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC001001820371 663611250 /nfs/dbraw/zinc/61/12/50/663611250.db2.gz JACXCSVJGVSFJN-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC001001820371 663611254 /nfs/dbraw/zinc/61/12/54/663611254.db2.gz JACXCSVJGVSFJN-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001001906758 663611600 /nfs/dbraw/zinc/61/16/00/663611600.db2.gz GKRKWBPJGJWDPP-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001977301 663611677 /nfs/dbraw/zinc/61/16/77/663611677.db2.gz MGVICGBEVGHNTO-ZIAGYGMSSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002001064 663612088 /nfs/dbraw/zinc/61/20/88/663612088.db2.gz OHQFGLSCKJONGD-QWHCGFSZSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001999815 663612196 /nfs/dbraw/zinc/61/21/96/663612196.db2.gz SDBDMTLMGGUAPO-TUAOUCFPSA-N 1 1 308.382 -1.366 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001996561 663612293 /nfs/dbraw/zinc/61/22/93/663612293.db2.gz VFMVTROHHIKNEW-GFCCVEGCSA-N 1 1 306.370 -1.196 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001980163 663612349 /nfs/dbraw/zinc/61/23/49/663612349.db2.gz VRBLLMCDCUWDKB-KGLIPLIRSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001998991 663612351 /nfs/dbraw/zinc/61/23/51/663612351.db2.gz JHELUNUMJXFRFW-RYUDHWBXSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001001978605 663612407 /nfs/dbraw/zinc/61/24/07/663612407.db2.gz RKTXEQIFSLXNQE-WDEREUQCSA-N 1 1 310.354 -1.379 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC001001993564 663612456 /nfs/dbraw/zinc/61/24/56/663612456.db2.gz GIGVFRSOLCUQKF-LBPRGKRZSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001001978601 663612513 /nfs/dbraw/zinc/61/25/13/663612513.db2.gz RKTXEQIFSLXNQE-GHMZBOCLSA-N 1 1 310.354 -1.379 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cn3cncn3)C2)C1 ZINC001001998341 663612524 /nfs/dbraw/zinc/61/25/24/663612524.db2.gz MGIUVFMZKVWXQS-GFCCVEGCSA-N 1 1 306.370 -1.196 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC001002235996 663613294 /nfs/dbraw/zinc/61/32/94/663613294.db2.gz DTIHCYPGZRUSSZ-ZYHUDNBSSA-N 1 1 321.385 -1.412 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)C1 ZINC001002291421 663613872 /nfs/dbraw/zinc/61/38/72/663613872.db2.gz PHFLUORPGOIXJQ-LLVKDONJSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)C1 ZINC001002291421 663613873 /nfs/dbraw/zinc/61/38/73/663613873.db2.gz PHFLUORPGOIXJQ-LLVKDONJSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001002291353 663613891 /nfs/dbraw/zinc/61/38/91/663613891.db2.gz ORFPPWAZMCEBAS-LLVKDONJSA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001002291353 663613892 /nfs/dbraw/zinc/61/38/92/663613892.db2.gz ORFPPWAZMCEBAS-LLVKDONJSA-N 1 1 322.369 -1.286 20 0 DAADMO CN(C(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1)C1CC1 ZINC001002304318 663614227 /nfs/dbraw/zinc/61/42/27/663614227.db2.gz VCUHLRXOYZDXGF-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032824634 663614266 /nfs/dbraw/zinc/61/42/66/663614266.db2.gz GMMYCCPDWKGNPH-IVZWLZJFSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032824634 663614268 /nfs/dbraw/zinc/61/42/68/663614268.db2.gz GMMYCCPDWKGNPH-IVZWLZJFSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)[C@H]1CCC(=O)N1 ZINC001032824815 663614284 /nfs/dbraw/zinc/61/42/84/663614284.db2.gz NKNBWZFUBSLBBV-YNEHKIRRSA-N 1 1 321.381 -1.287 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002411212 663614594 /nfs/dbraw/zinc/61/45/94/663614594.db2.gz ZIKSLPSUMVRMGY-WDEREUQCSA-N 1 1 310.354 -2.091 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000925349369 663615544 /nfs/dbraw/zinc/61/55/44/663615544.db2.gz VUIIORSTYRSCSG-MXWKQRLJSA-N 1 1 317.415 -1.377 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001002512080 663616201 /nfs/dbraw/zinc/61/62/01/663616201.db2.gz FNHDTVZFBFLODB-SNVBAGLBSA-N 1 1 305.338 -1.180 20 0 DAADMO O=C(CN1CN=NC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002649639 663617368 /nfs/dbraw/zinc/61/73/68/663617368.db2.gz VKANZSIUQKQMTE-JTQLQIEISA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001032826993 663617596 /nfs/dbraw/zinc/61/75/96/663617596.db2.gz ASAODCROZYHAIQ-DCAQKATOSA-N 1 1 310.354 -1.189 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032826997 663617876 /nfs/dbraw/zinc/61/78/76/663617876.db2.gz BOMNKRNIDGQELP-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032826997 663617880 /nfs/dbraw/zinc/61/78/80/663617880.db2.gz BOMNKRNIDGQELP-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032827096 663617918 /nfs/dbraw/zinc/61/79/18/663617918.db2.gz OIXCHHSHHGBXRZ-CIUDSAMLSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032827096 663617922 /nfs/dbraw/zinc/61/79/22/663617922.db2.gz OIXCHHSHHGBXRZ-CIUDSAMLSA-N 1 1 309.326 -2.337 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827011 663617998 /nfs/dbraw/zinc/61/79/98/663617998.db2.gz JYXIELSVXMXLMO-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827011 663618000 /nfs/dbraw/zinc/61/80/00/663618000.db2.gz JYXIELSVXMXLMO-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001002747612 663618601 /nfs/dbraw/zinc/61/86/01/663618601.db2.gz CZDDAOPCJAECON-SNVBAGLBSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(Cn1ncnn1)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001002816614 663619322 /nfs/dbraw/zinc/61/93/22/663619322.db2.gz BGGGAPONGJJQHZ-UHFFFAOYSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001002825389 663619374 /nfs/dbraw/zinc/61/93/74/663619374.db2.gz YLHMKGYUOHDVIM-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032830680 663619656 /nfs/dbraw/zinc/61/96/56/663619656.db2.gz IBHHXUUZEMMFGQ-YHAQOWFVSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CCC(=O)N1 ZINC001032830680 663619657 /nfs/dbraw/zinc/61/96/57/663619657.db2.gz IBHHXUUZEMMFGQ-YHAQOWFVSA-N 1 1 322.365 -1.349 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831536 663619699 /nfs/dbraw/zinc/61/96/99/663619699.db2.gz WYNFTLFUISRUFG-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831536 663619701 /nfs/dbraw/zinc/61/97/01/663619701.db2.gz WYNFTLFUISRUFG-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032831519 663619780 /nfs/dbraw/zinc/61/97/80/663619780.db2.gz QBONPSPCQIMEJL-GUBZILKMSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032831519 663619784 /nfs/dbraw/zinc/61/97/84/663619784.db2.gz QBONPSPCQIMEJL-GUBZILKMSA-N 1 1 323.353 -1.994 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831529 663620025 /nfs/dbraw/zinc/62/00/25/663620025.db2.gz VOGHMLMIFCTCCB-CIUDSAMLSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831529 663620030 /nfs/dbraw/zinc/62/00/30/663620030.db2.gz VOGHMLMIFCTCCB-CIUDSAMLSA-N 1 1 311.342 -2.091 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032831520 663620176 /nfs/dbraw/zinc/62/01/76/663620176.db2.gz QBONPSPCQIMEJL-LPEHRKFASA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032831520 663620181 /nfs/dbraw/zinc/62/01/81/663620181.db2.gz QBONPSPCQIMEJL-LPEHRKFASA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001002955764 663621526 /nfs/dbraw/zinc/62/15/26/663621526.db2.gz UNNIACMECLEOEH-SECBINFHSA-N 1 1 310.354 -1.410 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CN2CCCS2(=O)=O)CC1 ZINC001002963210 663621538 /nfs/dbraw/zinc/62/15/38/663621538.db2.gz LCYQXZKJGDFHDN-UHFFFAOYSA-N 1 1 318.399 -1.912 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352552 663621652 /nfs/dbraw/zinc/62/16/52/663621652.db2.gz BNOFTFVIHQKLNR-QWRGUYRKSA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352552 663621655 /nfs/dbraw/zinc/62/16/55/663621655.db2.gz BNOFTFVIHQKLNR-QWRGUYRKSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H]1CN(C)C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112904 663621900 /nfs/dbraw/zinc/62/19/00/663621900.db2.gz UNTWWTWORCJSIN-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)S1(=O)=O ZINC000922113004 663622104 /nfs/dbraw/zinc/62/21/04/663622104.db2.gz HPLSSRZBEPCZHA-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CCN1CCO[C@H](C(=O)NCC[N@@H+](C)CCOCCO)C1 ZINC000922119296 663622131 /nfs/dbraw/zinc/62/21/31/663622131.db2.gz NLSRLDVOQUQEQR-ZDUSSCGKSA-N 1 1 303.403 -1.236 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032832929 663622362 /nfs/dbraw/zinc/62/23/62/663622362.db2.gz GMMYCCPDWKGNPH-LPEHRKFASA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032832929 663622368 /nfs/dbraw/zinc/62/23/68/663622368.db2.gz GMMYCCPDWKGNPH-LPEHRKFASA-N 1 1 308.338 -1.739 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355024 663622539 /nfs/dbraw/zinc/62/25/39/663622539.db2.gz RYRJJAHCXWVUHO-NXEZZACHSA-N 1 1 307.354 -1.584 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355024 663622541 /nfs/dbraw/zinc/62/25/41/663622541.db2.gz RYRJJAHCXWVUHO-NXEZZACHSA-N 1 1 307.354 -1.584 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)CCOCCO ZINC000922118170 663622647 /nfs/dbraw/zinc/62/26/47/663622647.db2.gz PGQCGNUXPGTUJK-UHFFFAOYSA-N 1 1 311.404 -2.065 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355029 663622673 /nfs/dbraw/zinc/62/26/73/663622673.db2.gz RYRJJAHCXWVUHO-UWVGGRQHSA-N 1 1 307.354 -1.584 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355029 663622676 /nfs/dbraw/zinc/62/26/76/663622676.db2.gz RYRJJAHCXWVUHO-UWVGGRQHSA-N 1 1 307.354 -1.584 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)CC1=O ZINC000922122389 663622826 /nfs/dbraw/zinc/62/28/26/663622826.db2.gz GDOPYWXDIWXXRH-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003003293 663622987 /nfs/dbraw/zinc/62/29/87/663622987.db2.gz XWSHTUIKLBDBND-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)C1 ZINC000922128960 663623030 /nfs/dbraw/zinc/62/30/30/663623030.db2.gz NKDNVHSXOZQLFW-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCCNC1=O ZINC001003070109 663623363 /nfs/dbraw/zinc/62/33/63/663623363.db2.gz FGODLROFOHXJRO-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032834253 663624302 /nfs/dbraw/zinc/62/43/02/663624302.db2.gz GMMYCCPDWKGNPH-OPRDCNLKSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032834253 663624305 /nfs/dbraw/zinc/62/43/05/663624305.db2.gz GMMYCCPDWKGNPH-OPRDCNLKSA-N 1 1 308.338 -1.739 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001003206725 663625936 /nfs/dbraw/zinc/62/59/36/663625936.db2.gz CFTHXSHRBKCKGZ-VIFPVBQESA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(CN1CCCNC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003239127 663626222 /nfs/dbraw/zinc/62/62/22/663626222.db2.gz ZJNUISJIUIOPTE-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCCNC2=O)CC1 ZINC001003238569 663626345 /nfs/dbraw/zinc/62/63/45/663626345.db2.gz PMDYZNKTHTWYNG-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837056 663626757 /nfs/dbraw/zinc/62/67/57/663626757.db2.gz JYXIELSVXMXLMO-YIZRAAEISA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837056 663626759 /nfs/dbraw/zinc/62/67/59/663626759.db2.gz JYXIELSVXMXLMO-YIZRAAEISA-N 1 1 311.342 -2.091 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001003256610 663627173 /nfs/dbraw/zinc/62/71/73/663627173.db2.gz JZYAEXXWNNKIHM-SECBINFHSA-N 1 1 323.353 -1.597 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032837085 663627251 /nfs/dbraw/zinc/62/72/51/663627251.db2.gz OIXCHHSHHGBXRZ-VGMNWLOBSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032837085 663627257 /nfs/dbraw/zinc/62/72/57/663627257.db2.gz OIXCHHSHHGBXRZ-VGMNWLOBSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001032837011 663627309 /nfs/dbraw/zinc/62/73/09/663627309.db2.gz ASAODCROZYHAIQ-AXFHLTTASA-N 1 1 310.354 -1.189 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032839459 663627642 /nfs/dbraw/zinc/62/76/42/663627642.db2.gz WOVYXCZRNXTRNQ-VWYCJHECSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032839459 663627646 /nfs/dbraw/zinc/62/76/46/663627646.db2.gz WOVYXCZRNXTRNQ-VWYCJHECSA-N 1 1 322.365 -1.397 20 0 DAADMO C[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CNC(=O)C1 ZINC001003367649 663628110 /nfs/dbraw/zinc/62/81/10/663628110.db2.gz MAYNHAXCWXJGCS-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)NC1=O ZINC001003437097 663628731 /nfs/dbraw/zinc/62/87/31/663628731.db2.gz OODWXUMBNRTIRJ-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001003438214 663628992 /nfs/dbraw/zinc/62/89/92/663628992.db2.gz WPBSADKYVUCHDU-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)CC2 ZINC001003504538 663630062 /nfs/dbraw/zinc/63/00/62/663630062.db2.gz CGHYBDGLEPSVNZ-JTQLQIEISA-N 1 1 320.397 -1.014 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032843109 663630308 /nfs/dbraw/zinc/63/03/08/663630308.db2.gz GMMYCCPDWKGNPH-UTLUCORTSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032843109 663630313 /nfs/dbraw/zinc/63/03/13/663630313.db2.gz GMMYCCPDWKGNPH-UTLUCORTSA-N 1 1 308.338 -1.739 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001003554079 663631970 /nfs/dbraw/zinc/63/19/70/663631970.db2.gz UHNOBGVDLUJIHD-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001003554080 663632018 /nfs/dbraw/zinc/63/20/18/663632018.db2.gz UHNOBGVDLUJIHD-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001003561874 663632445 /nfs/dbraw/zinc/63/24/45/663632445.db2.gz RSLBRWBJTJNBGZ-GFCCVEGCSA-N 1 1 319.365 -1.098 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003561997 663632447 /nfs/dbraw/zinc/63/24/47/663632447.db2.gz URVZCHGAZIJABS-NWDGAFQWSA-N 1 1 308.382 -1.351 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001003574279 663632641 /nfs/dbraw/zinc/63/26/41/663632641.db2.gz ZWSSUXVGZLAXRI-NWDGAFQWSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC001003568780 663632955 /nfs/dbraw/zinc/63/29/55/663632955.db2.gz CBEZTTQJMKTSPL-NWDGAFQWSA-N 1 1 323.397 -1.321 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001003639862 663633637 /nfs/dbraw/zinc/63/36/37/663633637.db2.gz GYTVBOQAJQAYFX-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001003615830 663633815 /nfs/dbraw/zinc/63/38/15/663633815.db2.gz VFTHHEFRTJGRKI-DVVUODLYSA-N 1 1 312.370 -1.526 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001003715047 663637445 /nfs/dbraw/zinc/63/74/45/663637445.db2.gz LYWTXNVQWDESQB-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032844486 663637784 /nfs/dbraw/zinc/63/77/84/663637784.db2.gz WWFPQNNZBKNRHK-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)c3nnn(C)n3)C2)C1 ZINC001003712206 663637737 /nfs/dbraw/zinc/63/77/37/663637737.db2.gz OEQRHCDDAWGBFB-SNVBAGLBSA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032844486 663637786 /nfs/dbraw/zinc/63/77/86/663637786.db2.gz WWFPQNNZBKNRHK-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001003712080 663637951 /nfs/dbraw/zinc/63/79/51/663637951.db2.gz RTQXLOJROCNITP-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844298 663638061 /nfs/dbraw/zinc/63/80/61/663638061.db2.gz GAHJUFYHKXQWMI-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844298 663638062 /nfs/dbraw/zinc/63/80/62/663638062.db2.gz GAHJUFYHKXQWMI-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032844320 663638073 /nfs/dbraw/zinc/63/80/73/663638073.db2.gz NSRSYIYZNNFBFQ-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032844320 663638074 /nfs/dbraw/zinc/63/80/74/663638074.db2.gz NSRSYIYZNNFBFQ-WOPDTQHZSA-N 1 1 323.397 -1.001 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001003724502 663638285 /nfs/dbraw/zinc/63/82/85/663638285.db2.gz NWTKFMVBCMGWGQ-RFQIPJPRSA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001003724502 663638286 /nfs/dbraw/zinc/63/82/86/663638286.db2.gz NWTKFMVBCMGWGQ-RFQIPJPRSA-N 1 1 323.393 -1.216 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC001003782775 663638769 /nfs/dbraw/zinc/63/87/69/663638769.db2.gz PPYYGWPVYXJPLK-UHFFFAOYSA-N 1 1 323.353 -1.960 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001003742554 663638880 /nfs/dbraw/zinc/63/88/80/663638880.db2.gz VMIYZJNKUJLAKL-OLZOCXBDSA-N 1 1 322.409 -1.009 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003806134 663639225 /nfs/dbraw/zinc/63/92/25/663639225.db2.gz MQSUAWFJNGFCGJ-JTQLQIEISA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001003801590 663639456 /nfs/dbraw/zinc/63/94/56/663639456.db2.gz JRFKLLGOIZYDNR-QMMMGPOBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001003787505 663639473 /nfs/dbraw/zinc/63/94/73/663639473.db2.gz HIDGLHOBIRSSDR-QMMMGPOBSA-N 1 1 310.354 -1.506 20 0 DAADMO Cn1ncc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001003792323 663639605 /nfs/dbraw/zinc/63/96/05/663639605.db2.gz ZNWAPDTWHKZEMB-NSHDSACASA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(CNC(=O)c2cnon2)C1 ZINC001003808406 663639837 /nfs/dbraw/zinc/63/98/37/663639837.db2.gz OHHZUPTULNQEEC-UHFFFAOYSA-N 1 1 323.353 -1.020 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1)C1CC1 ZINC001032894542 663640515 /nfs/dbraw/zinc/64/05/15/663640515.db2.gz YRPBZJOQQHYJTP-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1)C1CC1 ZINC001032894542 663640516 /nfs/dbraw/zinc/64/05/16/663640516.db2.gz YRPBZJOQQHYJTP-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032897955 663640879 /nfs/dbraw/zinc/64/08/79/663640879.db2.gz QQWUXNDDMINRJN-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032897955 663640880 /nfs/dbraw/zinc/64/08/80/663640880.db2.gz QQWUXNDDMINRJN-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032896260 663640892 /nfs/dbraw/zinc/64/08/92/663640892.db2.gz FXVMQECOCAHFRF-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032896260 663640893 /nfs/dbraw/zinc/64/08/93/663640893.db2.gz FXVMQECOCAHFRF-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001032898626 663640940 /nfs/dbraw/zinc/64/09/40/663640940.db2.gz WJBIKZOEGYBWNP-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001003912138 663641366 /nfs/dbraw/zinc/64/13/66/663641366.db2.gz JEJRIFQWEFUZDL-NSHDSACASA-N 1 1 319.365 -1.090 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cn([C@@H]3CCOC3)nn2)CC1 ZINC001003930222 663641652 /nfs/dbraw/zinc/64/16/52/663641652.db2.gz ILZOEEKBSGCSPI-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003954819 663642386 /nfs/dbraw/zinc/64/23/86/663642386.db2.gz MYSBDCHXKSTMDP-MNOVXSKESA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@@H+](CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001003955333 663642705 /nfs/dbraw/zinc/64/27/05/663642705.db2.gz PEFLVULGSKEMBG-GFCCVEGCSA-N 1 1 323.397 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001003951104 663643643 /nfs/dbraw/zinc/64/36/43/663643643.db2.gz LRWZGDGFYOVMAR-LLVKDONJSA-N 1 1 320.353 -1.552 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978134 663643843 /nfs/dbraw/zinc/64/38/43/663643843.db2.gz XIVFVUPEUGCPAH-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978134 663643844 /nfs/dbraw/zinc/64/38/44/663643844.db2.gz XIVFVUPEUGCPAH-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N1 ZINC000922343034 663644324 /nfs/dbraw/zinc/64/43/24/663644324.db2.gz JLVORYXMZIRJBE-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2nc(C)ccc2=O)CC1 ZINC001004015309 663644338 /nfs/dbraw/zinc/64/43/38/663644338.db2.gz ZYZJJPBLDVWPNJ-UHFFFAOYSA-N 1 1 321.381 -1.122 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033019589 663644406 /nfs/dbraw/zinc/64/44/06/663644406.db2.gz AGIQHZRXUKUAKB-SNVBAGLBSA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033019589 663644407 /nfs/dbraw/zinc/64/44/07/663644407.db2.gz AGIQHZRXUKUAKB-SNVBAGLBSA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033019587 663644574 /nfs/dbraw/zinc/64/45/74/663644574.db2.gz AGIQHZRXUKUAKB-JTQLQIEISA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033019587 663644577 /nfs/dbraw/zinc/64/45/77/663644577.db2.gz AGIQHZRXUKUAKB-JTQLQIEISA-N 1 1 310.358 -1.395 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017125 663644612 /nfs/dbraw/zinc/64/46/12/663644612.db2.gz SPBUUSSCNYOXQR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017125 663644614 /nfs/dbraw/zinc/64/46/14/663644614.db2.gz SPBUUSSCNYOXQR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017124 663644733 /nfs/dbraw/zinc/64/47/33/663644733.db2.gz SPBUUSSCNYOXQR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017124 663644735 /nfs/dbraw/zinc/64/47/35/663644735.db2.gz SPBUUSSCNYOXQR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033027070 663644980 /nfs/dbraw/zinc/64/49/80/663644980.db2.gz STEIEDVAWRDSKQ-NSHDSACASA-N 1 1 320.357 -1.192 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033024502 663645067 /nfs/dbraw/zinc/64/50/67/663645067.db2.gz XRTWYXVUBFKLQF-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033023100 663645235 /nfs/dbraw/zinc/64/52/35/663645235.db2.gz NAFUELUKNSFMBQ-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033023100 663645236 /nfs/dbraw/zinc/64/52/36/663645236.db2.gz NAFUELUKNSFMBQ-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027136 663645244 /nfs/dbraw/zinc/64/52/44/663645244.db2.gz VIBZUQYMVQWHQK-ZJUUUORDSA-N 1 1 310.358 -1.220 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027136 663645246 /nfs/dbraw/zinc/64/52/46/663645246.db2.gz VIBZUQYMVQWHQK-ZJUUUORDSA-N 1 1 310.358 -1.220 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024689 663645444 /nfs/dbraw/zinc/64/54/44/663645444.db2.gz ZZQLKVLLNBLHPS-NXEZZACHSA-N 1 1 310.358 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024689 663645447 /nfs/dbraw/zinc/64/54/47/663645447.db2.gz ZZQLKVLLNBLHPS-NXEZZACHSA-N 1 1 310.358 -1.349 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004114420 663645690 /nfs/dbraw/zinc/64/56/90/663645690.db2.gz RCMCHLNMQTYQOF-LLVKDONJSA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001004115399 663645725 /nfs/dbraw/zinc/64/57/25/663645725.db2.gz ZLVOQQIUPHFQTR-VIFPVBQESA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004134603 663645823 /nfs/dbraw/zinc/64/58/23/663645823.db2.gz RRTRHVDIJKWQLG-QMMMGPOBSA-N 1 1 323.353 -1.446 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)Cc2nc3ncccn3n2)CC1 ZINC001004137875 663645908 /nfs/dbraw/zinc/64/59/08/663645908.db2.gz IBCRPCZJXLBBSS-UHFFFAOYSA-N 1 1 317.353 -1.267 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033044282 663646474 /nfs/dbraw/zinc/64/64/74/663646474.db2.gz DBCHIUWHUREBJJ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033044282 663646477 /nfs/dbraw/zinc/64/64/77/663646477.db2.gz DBCHIUWHUREBJJ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033044280 663646505 /nfs/dbraw/zinc/64/65/05/663646505.db2.gz DBCHIUWHUREBJJ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033044280 663646509 /nfs/dbraw/zinc/64/65/09/663646509.db2.gz DBCHIUWHUREBJJ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001004203258 663646949 /nfs/dbraw/zinc/64/69/49/663646949.db2.gz KKGRGIRNLUOIQU-SNVBAGLBSA-N 1 1 306.370 -1.094 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001004175060 663647113 /nfs/dbraw/zinc/64/71/13/663647113.db2.gz DYKNSLGYBPDGAS-LBPRGKRZSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033055470 663647182 /nfs/dbraw/zinc/64/71/82/663647182.db2.gz WNZQNQYUCHTWGQ-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033055470 663647186 /nfs/dbraw/zinc/64/71/86/663647186.db2.gz WNZQNQYUCHTWGQ-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033055469 663647245 /nfs/dbraw/zinc/64/72/45/663647245.db2.gz WNZQNQYUCHTWGQ-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033055469 663647247 /nfs/dbraw/zinc/64/72/47/663647247.db2.gz WNZQNQYUCHTWGQ-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033055464 663647288 /nfs/dbraw/zinc/64/72/88/663647288.db2.gz WNZQNQYUCHTWGQ-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033055464 663647289 /nfs/dbraw/zinc/64/72/89/663647289.db2.gz WNZQNQYUCHTWGQ-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001004203257 663647295 /nfs/dbraw/zinc/64/72/95/663647295.db2.gz KKGRGIRNLUOIQU-JTQLQIEISA-N 1 1 306.370 -1.094 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCC2(S(N)(=O)=O)CC2)C1 ZINC000922582217 663647349 /nfs/dbraw/zinc/64/73/49/663647349.db2.gz NQUSBQLEUBPWFI-UHFFFAOYSA-N 1 1 304.416 -1.583 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033063213 663647730 /nfs/dbraw/zinc/64/77/30/663647730.db2.gz VQLTWOBIIQVYQW-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086020 663647991 /nfs/dbraw/zinc/64/79/91/663647991.db2.gz KWODKWAMDDQPPE-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086020 663647992 /nfs/dbraw/zinc/64/79/92/663647992.db2.gz KWODKWAMDDQPPE-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085896 663648002 /nfs/dbraw/zinc/64/80/02/663648002.db2.gz KGJCSUSZQITAMB-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085896 663648003 /nfs/dbraw/zinc/64/80/03/663648003.db2.gz KGJCSUSZQITAMB-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001004341309 663648696 /nfs/dbraw/zinc/64/86/96/663648696.db2.gz WOTUCFJDGPWSIM-GFCCVEGCSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097501 663648744 /nfs/dbraw/zinc/64/87/44/663648744.db2.gz ZHJBOAFLHYELEO-DTWKUNHWSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097501 663648746 /nfs/dbraw/zinc/64/87/46/663648746.db2.gz ZHJBOAFLHYELEO-DTWKUNHWSA-N 1 1 323.357 -2.217 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033112234 663649147 /nfs/dbraw/zinc/64/91/47/663649147.db2.gz FUKJRMXORXWMOE-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033112234 663649149 /nfs/dbraw/zinc/64/91/49/663649149.db2.gz FUKJRMXORXWMOE-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001004450980 663649923 /nfs/dbraw/zinc/64/99/23/663649923.db2.gz WRCWFHZEXPHZFE-GRYCIOLGSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001004460641 663650193 /nfs/dbraw/zinc/65/01/93/663650193.db2.gz UBACOJTVLXKYMC-PWSUYJOCSA-N 1 1 321.385 -1.555 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001004526272 663651264 /nfs/dbraw/zinc/65/12/64/663651264.db2.gz YWXIRYLWPRARQM-NSHDSACASA-N 1 1 321.385 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151567 663651727 /nfs/dbraw/zinc/65/17/27/663651727.db2.gz HELKSVSSWYEXOF-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151567 663651732 /nfs/dbraw/zinc/65/17/32/663651732.db2.gz HELKSVSSWYEXOF-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153203 663652416 /nfs/dbraw/zinc/65/24/16/663652416.db2.gz FNCFWFKINVTYEI-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153203 663652419 /nfs/dbraw/zinc/65/24/19/663652419.db2.gz FNCFWFKINVTYEI-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccnnc3)C2)C1 ZINC001004739653 663652626 /nfs/dbraw/zinc/65/26/26/663652626.db2.gz WRWKZOJFFSVMFE-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ccnnc3)C2)C1 ZINC001004739653 663652631 /nfs/dbraw/zinc/65/26/31/663652631.db2.gz WRWKZOJFFSVMFE-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946710365 663653527 /nfs/dbraw/zinc/65/35/27/663653527.db2.gz LXXBTWYWDOWFEY-OKILXGFUSA-N 1 1 324.425 -1.419 20 0 DAADMO CNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186340 663653809 /nfs/dbraw/zinc/65/38/09/663653809.db2.gz VGKYOGUIBJAOCT-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186340 663653810 /nfs/dbraw/zinc/65/38/10/663653810.db2.gz VGKYOGUIBJAOCT-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743653 663653871 /nfs/dbraw/zinc/65/38/71/663653871.db2.gz XTTZPBVDZRZDGB-YFKTTZPYSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946751769 663654230 /nfs/dbraw/zinc/65/42/30/663654230.db2.gz CYMMQYCZXHBWIP-AXFHLTTASA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]2CC1 ZINC000946751770 663654296 /nfs/dbraw/zinc/65/42/96/663654296.db2.gz CYMMQYCZXHBWIP-OUAUKWLOSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2CC1 ZINC000946752217 663654484 /nfs/dbraw/zinc/65/44/84/663654484.db2.gz YHGIQKZHCPGLHB-TXEJJXNPSA-N 1 1 323.397 -1.333 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747698 663654492 /nfs/dbraw/zinc/65/44/92/663654492.db2.gz UXROAGPEXVTXPI-AOOOYVTPSA-N 1 1 307.358 -1.634 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747698 663654493 /nfs/dbraw/zinc/65/44/93/663654493.db2.gz UXROAGPEXVTXPI-AOOOYVTPSA-N 1 1 307.358 -1.634 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203061 663654929 /nfs/dbraw/zinc/65/49/29/663654929.db2.gz BIABBWMVJUTWAQ-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203061 663654931 /nfs/dbraw/zinc/65/49/31/663654931.db2.gz BIABBWMVJUTWAQ-WDEREUQCSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033213863 663655144 /nfs/dbraw/zinc/65/51/44/663655144.db2.gz YQPBKBQOUXNWTK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033213863 663655145 /nfs/dbraw/zinc/65/51/45/663655145.db2.gz YQPBKBQOUXNWTK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033229854 663655709 /nfs/dbraw/zinc/65/57/09/663655709.db2.gz WSOLEGMWKKLOPY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033229854 663655710 /nfs/dbraw/zinc/65/57/10/663655710.db2.gz WSOLEGMWKKLOPY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241058 663656167 /nfs/dbraw/zinc/65/61/67/663656167.db2.gz SEMDYUXFQSLRQJ-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000946776028 663656431 /nfs/dbraw/zinc/65/64/31/663656431.db2.gz YPKMKGSWSXYKKB-HBNTYKKESA-N 1 1 312.370 -1.845 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275307 663656614 /nfs/dbraw/zinc/65/66/14/663656614.db2.gz HIBGEYORQOKWCQ-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275307 663656618 /nfs/dbraw/zinc/65/66/18/663656618.db2.gz HIBGEYORQOKWCQ-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033277807 663656662 /nfs/dbraw/zinc/65/66/62/663656662.db2.gz HRYKLXYJWYGBQE-BWAOXVRWSA-N 1 1 322.409 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC[C@@H]2C1 ZINC000946782057 663656902 /nfs/dbraw/zinc/65/69/02/663656902.db2.gz OQZULLYUJPNBSJ-KXNHARMFSA-N 1 1 308.382 -1.237 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033275116 663656922 /nfs/dbraw/zinc/65/69/22/663656922.db2.gz FBOZYKGTNNPXKM-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033275116 663656924 /nfs/dbraw/zinc/65/69/24/663656924.db2.gz FBOZYKGTNNPXKM-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033275118 663657040 /nfs/dbraw/zinc/65/70/40/663657040.db2.gz FBOZYKGTNNPXKM-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033275118 663657042 /nfs/dbraw/zinc/65/70/42/663657042.db2.gz FBOZYKGTNNPXKM-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCN(CC(N)=O)C1 ZINC001033277799 663657065 /nfs/dbraw/zinc/65/70/65/663657065.db2.gz HRYKLXYJWYGBQE-BTJONVMOSA-N 1 1 322.409 -1.132 20 0 DAADMO CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033288160 663657353 /nfs/dbraw/zinc/65/73/53/663657353.db2.gz CEUCPULYJZQUDL-JQWIXIFHSA-N 1 1 307.354 -1.110 20 0 DAADMO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033287368 663657369 /nfs/dbraw/zinc/65/73/69/663657369.db2.gz XWYKWXXQWKJVGY-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033287368 663657370 /nfs/dbraw/zinc/65/73/70/663657370.db2.gz XWYKWXXQWKJVGY-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033321737 663658317 /nfs/dbraw/zinc/65/83/17/663658317.db2.gz NFUABAUWCFQYBX-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033321737 663658318 /nfs/dbraw/zinc/65/83/18/663658318.db2.gz NFUABAUWCFQYBX-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033327357 663658485 /nfs/dbraw/zinc/65/84/85/663658485.db2.gz IHGUSKXDIXKZRX-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033327357 663658487 /nfs/dbraw/zinc/65/84/87/663658487.db2.gz IHGUSKXDIXKZRX-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033322435 663658537 /nfs/dbraw/zinc/65/85/37/663658537.db2.gz VIAYSUVYQHFDQE-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033322435 663658538 /nfs/dbraw/zinc/65/85/38/663658538.db2.gz VIAYSUVYQHFDQE-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326133 663658576 /nfs/dbraw/zinc/65/85/76/663658576.db2.gz AEDUULQZFPFKHY-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326133 663658577 /nfs/dbraw/zinc/65/85/77/663658577.db2.gz AEDUULQZFPFKHY-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033321736 663658587 /nfs/dbraw/zinc/65/85/87/663658587.db2.gz NFUABAUWCFQYBX-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033321736 663658589 /nfs/dbraw/zinc/65/85/89/663658589.db2.gz NFUABAUWCFQYBX-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033336269 663658761 /nfs/dbraw/zinc/65/87/61/663658761.db2.gz OVACFYCFTYNHME-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033336269 663658763 /nfs/dbraw/zinc/65/87/63/663658763.db2.gz OVACFYCFTYNHME-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033332685 663658912 /nfs/dbraw/zinc/65/89/12/663658912.db2.gz OJXWHGXTQFEQEB-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014710447 663658931 /nfs/dbraw/zinc/65/89/31/663658931.db2.gz HRMSOCYNUUEMBT-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014710447 663658934 /nfs/dbraw/zinc/65/89/34/663658934.db2.gz HRMSOCYNUUEMBT-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014710448 663659032 /nfs/dbraw/zinc/65/90/32/663659032.db2.gz HRMSOCYNUUEMBT-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014710448 663659034 /nfs/dbraw/zinc/65/90/34/663659034.db2.gz HRMSOCYNUUEMBT-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033347258 663659347 /nfs/dbraw/zinc/65/93/47/663659347.db2.gz XKJUDRGQWQCZIK-VHSXEESVSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033347258 663659348 /nfs/dbraw/zinc/65/93/48/663659348.db2.gz XKJUDRGQWQCZIK-VHSXEESVSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033347257 663659430 /nfs/dbraw/zinc/65/94/30/663659430.db2.gz XKJUDRGQWQCZIK-UWVGGRQHSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033347257 663659432 /nfs/dbraw/zinc/65/94/32/663659432.db2.gz XKJUDRGQWQCZIK-UWVGGRQHSA-N 1 1 307.358 -1.413 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033340106 663659490 /nfs/dbraw/zinc/65/94/90/663659490.db2.gz DBZHGHGVHAMBMQ-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033340106 663659493 /nfs/dbraw/zinc/65/94/93/663659493.db2.gz DBZHGHGVHAMBMQ-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033373826 663659749 /nfs/dbraw/zinc/65/97/49/663659749.db2.gz RDAWMDJISYYLCE-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033373826 663659751 /nfs/dbraw/zinc/65/97/51/663659751.db2.gz RDAWMDJISYYLCE-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033371682 663659795 /nfs/dbraw/zinc/65/97/95/663659795.db2.gz ANDLDTKNWMROCC-GXSJLCMTSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033371682 663659796 /nfs/dbraw/zinc/65/97/96/663659796.db2.gz ANDLDTKNWMROCC-GXSJLCMTSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033373825 663659846 /nfs/dbraw/zinc/65/98/46/663659846.db2.gz RDAWMDJISYYLCE-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033373825 663659848 /nfs/dbraw/zinc/65/98/48/663659848.db2.gz RDAWMDJISYYLCE-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001033375123 663660184 /nfs/dbraw/zinc/66/01/84/663660184.db2.gz CAMJZALEAYDFAE-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001033375123 663660186 /nfs/dbraw/zinc/66/01/86/663660186.db2.gz CAMJZALEAYDFAE-SNVBAGLBSA-N 1 1 318.399 -1.960 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033422428 663660349 /nfs/dbraw/zinc/66/03/49/663660349.db2.gz JYKRFYSDQNSIBX-UTUOFQBUSA-N 1 1 310.398 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033422428 663660355 /nfs/dbraw/zinc/66/03/55/663660355.db2.gz JYKRFYSDQNSIBX-UTUOFQBUSA-N 1 1 310.398 -1.011 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033425535 663660376 /nfs/dbraw/zinc/66/03/76/663660376.db2.gz JTFOZNWORJVCLA-UTUOFQBUSA-N 1 1 323.397 -1.334 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033387212 663660499 /nfs/dbraw/zinc/66/04/99/663660499.db2.gz YUKHVXHYTCIGFZ-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033501103 663660892 /nfs/dbraw/zinc/66/08/92/663660892.db2.gz BHQUGUHZFDTZKZ-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033501103 663660895 /nfs/dbraw/zinc/66/08/95/663660895.db2.gz BHQUGUHZFDTZKZ-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033429730 663660922 /nfs/dbraw/zinc/66/09/22/663660922.db2.gz QUKZJAXSDSKMEO-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033429730 663660924 /nfs/dbraw/zinc/66/09/24/663660924.db2.gz QUKZJAXSDSKMEO-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033472294 663661274 /nfs/dbraw/zinc/66/12/74/663661274.db2.gz GRJCNWATLTUHNB-LLVKDONJSA-N 1 1 324.381 -1.123 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033472285 663661448 /nfs/dbraw/zinc/66/14/48/663661448.db2.gz GOYLYTLVMNGHTN-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033472295 663661513 /nfs/dbraw/zinc/66/15/13/663661513.db2.gz GRJCNWATLTUHNB-NSHDSACASA-N 1 1 324.381 -1.123 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033428732 663661630 /nfs/dbraw/zinc/66/16/30/663661630.db2.gz FPZAWLASCZVNLM-TUAOUCFPSA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033428732 663661635 /nfs/dbraw/zinc/66/16/35/663661635.db2.gz FPZAWLASCZVNLM-TUAOUCFPSA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033503218 663662273 /nfs/dbraw/zinc/66/22/73/663662273.db2.gz UQQNCNCWAWJUDO-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033503208 663662387 /nfs/dbraw/zinc/66/23/87/663662387.db2.gz UQQNCNCWAWJUDO-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503065 663662450 /nfs/dbraw/zinc/66/24/50/663662450.db2.gz VBZSWLAITCUEQR-LLVKDONJSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503065 663662455 /nfs/dbraw/zinc/66/24/55/663662455.db2.gz VBZSWLAITCUEQR-LLVKDONJSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033501924 663662543 /nfs/dbraw/zinc/66/25/43/663662543.db2.gz JVXNKLLHEHIMNQ-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033501924 663662548 /nfs/dbraw/zinc/66/25/48/663662548.db2.gz JVXNKLLHEHIMNQ-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033570839 663664032 /nfs/dbraw/zinc/66/40/32/663664032.db2.gz KQXPGUJESGJAAD-ZJUUUORDSA-N 1 1 320.353 -1.315 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033570839 663664035 /nfs/dbraw/zinc/66/40/35/663664035.db2.gz KQXPGUJESGJAAD-ZJUUUORDSA-N 1 1 320.353 -1.315 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033598096 663664122 /nfs/dbraw/zinc/66/41/22/663664122.db2.gz GTHZMEIYHXEEIP-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001033584125 663664293 /nfs/dbraw/zinc/66/42/93/663664293.db2.gz WHVJYKTZYWXRMV-NXEZZACHSA-N 1 1 320.353 -1.055 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626252 663664869 /nfs/dbraw/zinc/66/48/69/663664869.db2.gz OMYJRDJWJQCCCQ-ONGXEEELSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626252 663664872 /nfs/dbraw/zinc/66/48/72/663664872.db2.gz OMYJRDJWJQCCCQ-ONGXEEELSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001033624997 663664895 /nfs/dbraw/zinc/66/48/95/663664895.db2.gz FNHHJGMKQCTVDM-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001033624997 663664898 /nfs/dbraw/zinc/66/48/98/663664898.db2.gz FNHHJGMKQCTVDM-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740218 663664956 /nfs/dbraw/zinc/66/49/56/663664956.db2.gz JDUVTJWHHGJLBM-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740218 663664958 /nfs/dbraw/zinc/66/49/58/663664958.db2.gz JDUVTJWHHGJLBM-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033638277 663665129 /nfs/dbraw/zinc/66/51/29/663665129.db2.gz YUGUOUZPYDUDLB-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645598 663665471 /nfs/dbraw/zinc/66/54/71/663665471.db2.gz DNJDSOUYESPBMF-UWVGGRQHSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645598 663665473 /nfs/dbraw/zinc/66/54/73/663665473.db2.gz DNJDSOUYESPBMF-UWVGGRQHSA-N 1 1 310.354 -1.458 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033645348 663665483 /nfs/dbraw/zinc/66/54/83/663665483.db2.gz BYJSBBZANLFWLE-MNOVXSKESA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033645348 663665485 /nfs/dbraw/zinc/66/54/85/663665485.db2.gz BYJSBBZANLFWLE-MNOVXSKESA-N 1 1 322.365 -1.443 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033676311 663665525 /nfs/dbraw/zinc/66/55/25/663665525.db2.gz WBHBOALGYOVFOW-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033659047 663665632 /nfs/dbraw/zinc/66/56/32/663665632.db2.gz JVCFXNYUOSMPLQ-MRVPVSSYSA-N 1 1 309.326 -1.883 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033659047 663665634 /nfs/dbraw/zinc/66/56/34/663665634.db2.gz JVCFXNYUOSMPLQ-MRVPVSSYSA-N 1 1 309.326 -1.883 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033644828 663665685 /nfs/dbraw/zinc/66/56/85/663665685.db2.gz QOVYTYZWSSWYAZ-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033644828 663665690 /nfs/dbraw/zinc/66/56/90/663665690.db2.gz QOVYTYZWSSWYAZ-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001033643237 663665836 /nfs/dbraw/zinc/66/58/36/663665836.db2.gz WFKNMQOHXOQTGS-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033658155 663666021 /nfs/dbraw/zinc/66/60/21/663666021.db2.gz DIPXPUCRHYJPKI-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033658155 663666025 /nfs/dbraw/zinc/66/60/25/663666025.db2.gz DIPXPUCRHYJPKI-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)nn1 ZINC001033689585 663666323 /nfs/dbraw/zinc/66/63/23/663666323.db2.gz GIHWLTUZLDEBKZ-NSHDSACASA-N 1 1 324.385 -1.495 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684628 663666517 /nfs/dbraw/zinc/66/65/17/663666517.db2.gz GQTPLGPFVYXAIS-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684053 663666578 /nfs/dbraw/zinc/66/65/78/663666578.db2.gz CGLRZUDBXATPOJ-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690258 663666768 /nfs/dbraw/zinc/66/67/68/663666768.db2.gz HLTUBMSEAQGORC-NXEZZACHSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690258 663666771 /nfs/dbraw/zinc/66/67/71/663666771.db2.gz HLTUBMSEAQGORC-NXEZZACHSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CN2CN=NC2=O)CC1 ZINC001005290620 663666818 /nfs/dbraw/zinc/66/68/18/663666818.db2.gz RBAUDQCAMOSTJL-VIFPVBQESA-N 1 1 310.358 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692729 663666882 /nfs/dbraw/zinc/66/68/82/663666882.db2.gz LWRYQJDIIKWYQO-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692729 663666884 /nfs/dbraw/zinc/66/68/84/663666884.db2.gz LWRYQJDIIKWYQO-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033693128 663666897 /nfs/dbraw/zinc/66/68/97/663666897.db2.gz PPGGZBXPPMVFTB-MNOVXSKESA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033693128 663666899 /nfs/dbraw/zinc/66/68/99/663666899.db2.gz PPGGZBXPPMVFTB-MNOVXSKESA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)Cn2ncnn2)CC1 ZINC001005392586 663667226 /nfs/dbraw/zinc/66/72/26/663667226.db2.gz CXWRBMQNQNXSOL-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001033719811 663667255 /nfs/dbraw/zinc/66/72/55/663667255.db2.gz PEDBATPLTJRDEY-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001033719811 663667256 /nfs/dbraw/zinc/66/72/56/663667256.db2.gz PEDBATPLTJRDEY-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005332850 663667277 /nfs/dbraw/zinc/66/72/77/663667277.db2.gz AKYSEGSCPOYUMK-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005394215 663667447 /nfs/dbraw/zinc/66/74/47/663667447.db2.gz YRTOFUURBPQUMM-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001033719809 663667559 /nfs/dbraw/zinc/66/75/59/663667559.db2.gz PEDBATPLTJRDEY-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001033719809 663667560 /nfs/dbraw/zinc/66/75/60/663667560.db2.gz PEDBATPLTJRDEY-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033921675 663667808 /nfs/dbraw/zinc/66/78/08/663667808.db2.gz DMEZHGFDAKVMPB-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033921675 663667813 /nfs/dbraw/zinc/66/78/13/663667813.db2.gz DMEZHGFDAKVMPB-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033938377 663668535 /nfs/dbraw/zinc/66/85/35/663668535.db2.gz OZJUWBVUIIRNTL-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033938377 663668536 /nfs/dbraw/zinc/66/85/36/663668536.db2.gz OZJUWBVUIIRNTL-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001033936887 663668760 /nfs/dbraw/zinc/66/87/60/663668760.db2.gz CZJQGGPRBLUMMU-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001033936887 663668762 /nfs/dbraw/zinc/66/87/62/663668762.db2.gz CZJQGGPRBLUMMU-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033938381 663668774 /nfs/dbraw/zinc/66/87/74/663668774.db2.gz OZJUWBVUIIRNTL-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033938381 663668777 /nfs/dbraw/zinc/66/87/77/663668777.db2.gz OZJUWBVUIIRNTL-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033986722 663668796 /nfs/dbraw/zinc/66/87/96/663668796.db2.gz XCJPWZLQTUITGI-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033986722 663668799 /nfs/dbraw/zinc/66/87/99/663668799.db2.gz XCJPWZLQTUITGI-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001034095262 663669156 /nfs/dbraw/zinc/66/91/56/663669156.db2.gz RYLPVKFLBVUBLR-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034096516 663669246 /nfs/dbraw/zinc/66/92/46/663669246.db2.gz DNUXPGTZCPTRNL-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001034095258 663669284 /nfs/dbraw/zinc/66/92/84/663669284.db2.gz RYLPVKFLBVUBLR-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034212684 663669570 /nfs/dbraw/zinc/66/95/70/663669570.db2.gz QJNOJBKUTKHBNB-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034212684 663669573 /nfs/dbraw/zinc/66/95/73/663669573.db2.gz QJNOJBKUTKHBNB-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001034209022 663669607 /nfs/dbraw/zinc/66/96/07/663669607.db2.gz WKHLDCYANOBZGR-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034210227 663669625 /nfs/dbraw/zinc/66/96/25/663669625.db2.gz GCTIJWFPHJYKLB-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034210227 663669627 /nfs/dbraw/zinc/66/96/27/663669627.db2.gz GCTIJWFPHJYKLB-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034175164 663669707 /nfs/dbraw/zinc/66/97/07/663669707.db2.gz OGGBBZDWLMTLBI-MNOVXSKESA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001034210240 663669713 /nfs/dbraw/zinc/66/97/13/663669713.db2.gz GCTIJWFPHJYKLB-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034210240 663669715 /nfs/dbraw/zinc/66/97/15/663669715.db2.gz GCTIJWFPHJYKLB-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034173493 663670020 /nfs/dbraw/zinc/67/00/20/663670020.db2.gz BULRYYHWEZRECI-SNVBAGLBSA-N 1 1 310.358 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001034173493 663670022 /nfs/dbraw/zinc/67/00/22/663670022.db2.gz BULRYYHWEZRECI-SNVBAGLBSA-N 1 1 310.358 -1.300 20 0 DAADMO CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001034322351 663670142 /nfs/dbraw/zinc/67/01/42/663670142.db2.gz FPSBRUZGLZILCL-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001034322351 663670144 /nfs/dbraw/zinc/67/01/44/663670144.db2.gz FPSBRUZGLZILCL-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)ncc1=O ZINC001034317978 663670485 /nfs/dbraw/zinc/67/04/85/663670485.db2.gz YZWLKMTYTRAVNE-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001034317978 663670488 /nfs/dbraw/zinc/67/04/88/663670488.db2.gz YZWLKMTYTRAVNE-JTQLQIEISA-N 1 1 307.354 -1.150 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034246330 663670589 /nfs/dbraw/zinc/67/05/89/663670589.db2.gz DMYJPUIJFPUWPR-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001034292374 663670665 /nfs/dbraw/zinc/67/06/65/663670665.db2.gz DWSPOXOUJPOGOX-SNVBAGLBSA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001034292374 663670668 /nfs/dbraw/zinc/67/06/68/663670668.db2.gz DWSPOXOUJPOGOX-SNVBAGLBSA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034341325 663670887 /nfs/dbraw/zinc/67/08/87/663670887.db2.gz FDCHNTXMLFVLSL-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034341325 663670890 /nfs/dbraw/zinc/67/08/90/663670890.db2.gz FDCHNTXMLFVLSL-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001034346321 663670953 /nfs/dbraw/zinc/67/09/53/663670953.db2.gz BREQNWIUGBZCMS-ZJUUUORDSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001034346321 663670958 /nfs/dbraw/zinc/67/09/58/663670958.db2.gz BREQNWIUGBZCMS-ZJUUUORDSA-N 1 1 307.358 -1.317 20 0 DAADMO O=C(N[C@H]1CCCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001034377687 663670966 /nfs/dbraw/zinc/67/09/66/663670966.db2.gz FTORZAONXQTEHM-RYUDHWBXSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034341322 663670973 /nfs/dbraw/zinc/67/09/73/663670973.db2.gz FDCHNTXMLFVLSL-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034341322 663670977 /nfs/dbraw/zinc/67/09/77/663670977.db2.gz FDCHNTXMLFVLSL-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034378608 663671053 /nfs/dbraw/zinc/67/10/53/663671053.db2.gz KIIPUVSMIQDWDS-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034378608 663671055 /nfs/dbraw/zinc/67/10/55/663671055.db2.gz KIIPUVSMIQDWDS-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034525070 663671632 /nfs/dbraw/zinc/67/16/32/663671632.db2.gz XFGQPHHDPDCYOV-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1=O ZINC001034525042 663671661 /nfs/dbraw/zinc/67/16/61/663671661.db2.gz WWXLFCZGNQEMJY-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034473580 663671789 /nfs/dbraw/zinc/67/17/89/663671789.db2.gz JQLBBNOSEDXHJJ-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515018 663671799 /nfs/dbraw/zinc/67/17/99/663671799.db2.gz DQCHGUDIKKVEBZ-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515018 663671800 /nfs/dbraw/zinc/67/18/00/663671800.db2.gz DQCHGUDIKKVEBZ-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034446724 663671839 /nfs/dbraw/zinc/67/18/39/663671839.db2.gz WORUKVHRNAFIHH-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450254 663671897 /nfs/dbraw/zinc/67/18/97/663671897.db2.gz YROLVSRLWMIXER-SNVBAGLBSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450254 663671898 /nfs/dbraw/zinc/67/18/98/663671898.db2.gz YROLVSRLWMIXER-SNVBAGLBSA-N 1 1 310.354 -1.505 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001034523949 663671902 /nfs/dbraw/zinc/67/19/02/663671902.db2.gz JMZORLODFBOLHG-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001034523949 663671904 /nfs/dbraw/zinc/67/19/04/663671904.db2.gz JMZORLODFBOLHG-SECBINFHSA-N 1 1 323.353 -1.445 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)nn1 ZINC001034543806 663672412 /nfs/dbraw/zinc/67/24/12/663672412.db2.gz KLXNLQYCTRKWKM-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034561055 663672421 /nfs/dbraw/zinc/67/24/21/663672421.db2.gz ZQXTUFXUPOTLMT-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034561055 663672422 /nfs/dbraw/zinc/67/24/22/663672422.db2.gz ZQXTUFXUPOTLMT-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034544632 663672429 /nfs/dbraw/zinc/67/24/29/663672429.db2.gz RDQMAZQAKWDLKA-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034544630 663672492 /nfs/dbraw/zinc/67/24/92/663672492.db2.gz RDQMAZQAKWDLKA-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034544633 663672560 /nfs/dbraw/zinc/67/25/60/663672560.db2.gz RDQMAZQAKWDLKA-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001034852272 663674609 /nfs/dbraw/zinc/67/46/09/663674609.db2.gz AHRZWGXIEQVLJJ-SECBINFHSA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001034868112 663675093 /nfs/dbraw/zinc/67/50/93/663675093.db2.gz UUGRGBMDBPVBSF-GHMZBOCLSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)c1N ZINC001034914480 663675332 /nfs/dbraw/zinc/67/53/32/663675332.db2.gz PMDIJATWWTYMDL-SECBINFHSA-N 1 1 319.373 -1.080 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCn1cncn1 ZINC001034863129 663675342 /nfs/dbraw/zinc/67/53/42/663675342.db2.gz RWHCQHPIVRFSLU-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001034888874 663675487 /nfs/dbraw/zinc/67/54/87/663675487.db2.gz IXIXZDXKVJNFBD-SNVBAGLBSA-N 1 1 322.369 -1.236 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)C1 ZINC001034922293 663675867 /nfs/dbraw/zinc/67/58/67/663675867.db2.gz NAVLTHSZLBTWKG-GFCCVEGCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2ncnn2)nn1 ZINC001034938045 663675892 /nfs/dbraw/zinc/67/58/92/663675892.db2.gz GYFFEYVTMFKJRV-LLVKDONJSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001034955112 663676047 /nfs/dbraw/zinc/67/60/47/663676047.db2.gz ZUYVMZKDOVBWOL-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(C)CNC(=O)C1 ZINC001034999829 663676497 /nfs/dbraw/zinc/67/64/97/663676497.db2.gz KJVSYEKPCRWQGK-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001035010799 663676583 /nfs/dbraw/zinc/67/65/83/663676583.db2.gz BPTQQBGDKGEVJI-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)C1=O ZINC001035021093 663676685 /nfs/dbraw/zinc/67/66/85/663676685.db2.gz RXCITZUTPDYOPS-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001035084883 663677128 /nfs/dbraw/zinc/67/71/28/663677128.db2.gz DJISUTQEPRWHTN-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001035062221 663677152 /nfs/dbraw/zinc/67/71/52/663677152.db2.gz LXERGSJUGQHOTC-ZJUUUORDSA-N 1 1 322.325 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(C)CCNC1=O ZINC001035046704 663677373 /nfs/dbraw/zinc/67/73/73/663677373.db2.gz BNBGAEWZCOIGBW-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035220413 663677499 /nfs/dbraw/zinc/67/74/99/663677499.db2.gz DHYHRCMUUPXUPH-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001035119516 663677695 /nfs/dbraw/zinc/67/76/95/663677695.db2.gz PXGITMVTRYQFPY-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035221148 663677909 /nfs/dbraw/zinc/67/79/09/663677909.db2.gz WOJWDEUNCXKRCN-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1C[C@H](C(=O)N2CCC3(CC[N@@H+](CC(N)=O)C3)CC2)NC1=O ZINC001035212609 663677947 /nfs/dbraw/zinc/67/79/47/663677947.db2.gz VUJHPPINLQRNBC-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1nnc(CN2CCO[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001035307291 663678499 /nfs/dbraw/zinc/67/84/99/663678499.db2.gz OIBRHSSZOAAAGV-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C)C(=O)CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035306478 663678571 /nfs/dbraw/zinc/67/85/71/663678571.db2.gz KHZJRMNSGBQOSF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CCO)CCO2)O1 ZINC001035424871 663681878 /nfs/dbraw/zinc/68/18/78/663681878.db2.gz SLFISKQNCOVZLT-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CCO)CCO2)O1 ZINC001035424871 663681879 /nfs/dbraw/zinc/68/18/79/663681879.db2.gz SLFISKQNCOVZLT-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CN(CCO)CCO2)O1 ZINC001035424870 663681971 /nfs/dbraw/zinc/68/19/71/663681971.db2.gz SLFISKQNCOVZLT-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CN(CCO)CCO2)O1 ZINC001035424870 663681974 /nfs/dbraw/zinc/68/19/74/663681974.db2.gz SLFISKQNCOVZLT-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035404215 663681989 /nfs/dbraw/zinc/68/19/89/663681989.db2.gz MFBDHYBTSUQDHS-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035404215 663681990 /nfs/dbraw/zinc/68/19/90/663681990.db2.gz MFBDHYBTSUQDHS-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)O1 ZINC001035408689 663682161 /nfs/dbraw/zinc/68/21/61/663682161.db2.gz SSTDRRWRIVXOPS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)O1 ZINC001035408689 663682163 /nfs/dbraw/zinc/68/21/63/663682163.db2.gz SSTDRRWRIVXOPS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)O1 ZINC001035414509 663682380 /nfs/dbraw/zinc/68/23/80/663682380.db2.gz ALRJDZAJKWJLPB-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)O1 ZINC001035414509 663682381 /nfs/dbraw/zinc/68/23/81/663682381.db2.gz ALRJDZAJKWJLPB-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035435336 663682926 /nfs/dbraw/zinc/68/29/26/663682926.db2.gz KZHGKEKJECQHKG-LBPRGKRZSA-N 1 1 324.381 -1.063 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035435336 663682928 /nfs/dbraw/zinc/68/29/28/663682928.db2.gz KZHGKEKJECQHKG-LBPRGKRZSA-N 1 1 324.381 -1.063 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449471 663683131 /nfs/dbraw/zinc/68/31/31/663683131.db2.gz KRKFCUXRMXAPHH-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449471 663683134 /nfs/dbraw/zinc/68/31/34/663683134.db2.gz KRKFCUXRMXAPHH-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](C[C@@H]3CCOC3)CCO2)n1 ZINC001035475133 663683807 /nfs/dbraw/zinc/68/38/07/663683807.db2.gz MVKKIDNGQVNNCB-QWRGUYRKSA-N 1 1 310.358 -1.323 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)n1 ZINC001035475133 663683810 /nfs/dbraw/zinc/68/38/10/663683810.db2.gz MVKKIDNGQVNNCB-QWRGUYRKSA-N 1 1 310.358 -1.323 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CCO2)n1 ZINC001035475134 663683889 /nfs/dbraw/zinc/68/38/89/663683889.db2.gz MVKKIDNGQVNNCB-WDEREUQCSA-N 1 1 310.358 -1.323 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CCO2)n1 ZINC001035475134 663683892 /nfs/dbraw/zinc/68/38/92/663683892.db2.gz MVKKIDNGQVNNCB-WDEREUQCSA-N 1 1 310.358 -1.323 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)NC1=O ZINC001035467795 663684638 /nfs/dbraw/zinc/68/46/38/663684638.db2.gz RFCIOUPPSAYPRA-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)NC1=O ZINC001035467795 663684640 /nfs/dbraw/zinc/68/46/40/663684640.db2.gz RFCIOUPPSAYPRA-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510787 663685260 /nfs/dbraw/zinc/68/52/60/663685260.db2.gz NCUFIXIOWKLVPP-ZJUUUORDSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510787 663685261 /nfs/dbraw/zinc/68/52/61/663685261.db2.gz NCUFIXIOWKLVPP-ZJUUUORDSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510774 663685312 /nfs/dbraw/zinc/68/53/12/663685312.db2.gz NCUFIXIOWKLVPP-NXEZZACHSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510774 663685314 /nfs/dbraw/zinc/68/53/14/663685314.db2.gz NCUFIXIOWKLVPP-NXEZZACHSA-N 1 1 310.354 -1.075 20 0 DAADMO Cn1nnnc1CN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035599400 663687161 /nfs/dbraw/zinc/68/71/61/663687161.db2.gz IIVUYPVGEQDIHW-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CCO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001035601195 663687175 /nfs/dbraw/zinc/68/71/75/663687175.db2.gz ZGFWOOCXQVSUKZ-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001035601191 663687294 /nfs/dbraw/zinc/68/72/94/663687294.db2.gz ZGFWOOCXQVSUKZ-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)ccc1=O ZINC001035598550 663687412 /nfs/dbraw/zinc/68/74/12/663687412.db2.gz ZBRGJTGFTSNRIJ-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)ccc1=O ZINC001035598550 663687414 /nfs/dbraw/zinc/68/74/14/663687414.db2.gz ZBRGJTGFTSNRIJ-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CC(=O)N3CCC3)CCO2)C1 ZINC001035600213 663687499 /nfs/dbraw/zinc/68/74/99/663687499.db2.gz OYLJEXXSPSVQHC-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035604801 663687860 /nfs/dbraw/zinc/68/78/60/663687860.db2.gz OWRQGOBQVVPADY-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604059 663687899 /nfs/dbraw/zinc/68/78/99/663687899.db2.gz YGBLQZILAMUAGF-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604059 663687901 /nfs/dbraw/zinc/68/79/01/663687901.db2.gz YGBLQZILAMUAGF-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035621373 663688347 /nfs/dbraw/zinc/68/83/47/663688347.db2.gz AXNDRKKOSWYEER-RYUDHWBXSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035621373 663688348 /nfs/dbraw/zinc/68/83/48/663688348.db2.gz AXNDRKKOSWYEER-RYUDHWBXSA-N 1 1 314.386 -1.271 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035614228 663688919 /nfs/dbraw/zinc/68/89/19/663688919.db2.gz PAKHAUUBRYAKNX-GHMZBOCLSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035614228 663688920 /nfs/dbraw/zinc/68/89/20/663688920.db2.gz PAKHAUUBRYAKNX-GHMZBOCLSA-N 1 1 321.399 -2.123 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC001035695752 663689516 /nfs/dbraw/zinc/68/95/16/663689516.db2.gz YJSMSVRAUWXSNP-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645932 663689626 /nfs/dbraw/zinc/68/96/26/663689626.db2.gz PQTVVUWPTQAJQB-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035646229 663689664 /nfs/dbraw/zinc/68/96/64/663689664.db2.gz YCHLHMXXYHLDRK-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CN1CN=NC1=O)CC2 ZINC001035690210 663689675 /nfs/dbraw/zinc/68/96/75/663689675.db2.gz MZFIOHDZEFEAKG-UHFFFAOYSA-N 1 1 322.369 -1.346 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COCCN1C)CC2 ZINC001035690997 663689702 /nfs/dbraw/zinc/68/97/02/663689702.db2.gz GLNNSKDWVMRWKH-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616423 663689746 /nfs/dbraw/zinc/68/97/46/663689746.db2.gz KDOYNWDOBIREMN-MNOVXSKESA-N 1 1 312.370 -1.465 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001035616423 663689748 /nfs/dbraw/zinc/68/97/48/663689748.db2.gz KDOYNWDOBIREMN-MNOVXSKESA-N 1 1 312.370 -1.465 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CN1CCOCC1)CC2 ZINC001035689327 663689799 /nfs/dbraw/zinc/68/97/99/663689799.db2.gz UZGZYBZWKREDKK-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC001035768687 663690200 /nfs/dbraw/zinc/69/02/00/663690200.db2.gz LDEFYXYXTSCHMZ-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035770080 663690230 /nfs/dbraw/zinc/69/02/30/663690230.db2.gz ZSJKXFRPMIZZQG-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO Cn1nnc(C(=O)N2CCC3(C[NH+]([C@@H]4CCNC4=O)C3)CC2)n1 ZINC001035769682 663690272 /nfs/dbraw/zinc/69/02/72/663690272.db2.gz LPUPMZVVYNPTBM-SNVBAGLBSA-N 1 1 319.369 -1.363 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cncn1)CC2 ZINC001035846151 663690750 /nfs/dbraw/zinc/69/07/50/663690750.db2.gz BFMZPKMETOWMTG-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035782755 663690807 /nfs/dbraw/zinc/69/08/07/663690807.db2.gz SBTJLJXHUAVVNK-GHMZBOCLSA-N 1 1 321.381 -1.519 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CCn1cnnn1)CC2 ZINC001035823837 663690854 /nfs/dbraw/zinc/69/08/54/663690854.db2.gz NLJWBNMVORGXAT-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782784 663690882 /nfs/dbraw/zinc/69/08/82/663690882.db2.gz SFKXJSVZUZCLFQ-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036029181 663691029 /nfs/dbraw/zinc/69/10/29/663691029.db2.gz GZOZWJQVGKYADP-UWVGGRQHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036019289 663691082 /nfs/dbraw/zinc/69/10/82/663691082.db2.gz FOAKFQILGWBDDG-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036029183 663691270 /nfs/dbraw/zinc/69/12/70/663691270.db2.gz GZOZWJQVGKYADP-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036019288 663691311 /nfs/dbraw/zinc/69/13/11/663691311.db2.gz FOAKFQILGWBDDG-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036057877 663691678 /nfs/dbraw/zinc/69/16/78/663691678.db2.gz XRNKOTICBIUUTI-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036132948 663692004 /nfs/dbraw/zinc/69/20/04/663692004.db2.gz OZLZOBZNZKWLGM-DTWKUNHWSA-N 1 1 320.361 -1.626 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001036640699 663693312 /nfs/dbraw/zinc/69/33/12/663693312.db2.gz OEQLZGVNOVZUJJ-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005824630 663693732 /nfs/dbraw/zinc/69/37/32/663693732.db2.gz BVEMFQNDZGSVON-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nc1=O ZINC001036672439 663694004 /nfs/dbraw/zinc/69/40/04/663694004.db2.gz AOPXHAFPKWAJMC-NXEZZACHSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nc1=O ZINC001036672439 663694007 /nfs/dbraw/zinc/69/40/07/663694007.db2.gz AOPXHAFPKWAJMC-NXEZZACHSA-N 1 1 322.369 -1.593 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852442 663694072 /nfs/dbraw/zinc/69/40/72/663694072.db2.gz MREVHQWXWZBNFP-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CC(N)=O)C1 ZINC001005852442 663694074 /nfs/dbraw/zinc/69/40/74/663694074.db2.gz MREVHQWXWZBNFP-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858671 663694089 /nfs/dbraw/zinc/69/40/89/663694089.db2.gz YCGPMBOUTNKOOL-SKDRFNHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858671 663694090 /nfs/dbraw/zinc/69/40/90/663694090.db2.gz YCGPMBOUTNKOOL-SKDRFNHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849120 663694156 /nfs/dbraw/zinc/69/41/56/663694156.db2.gz CPTNZVFJPFVHBJ-SKDRFNHKSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC001005849120 663694158 /nfs/dbraw/zinc/69/41/58/663694158.db2.gz CPTNZVFJPFVHBJ-SKDRFNHKSA-N 1 1 322.369 -1.288 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036673016 663694175 /nfs/dbraw/zinc/69/41/75/663694175.db2.gz JTBLZVMEULGOKR-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nc1=O ZINC001036672441 663694286 /nfs/dbraw/zinc/69/42/86/663694286.db2.gz AOPXHAFPKWAJMC-VHSXEESVSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3CN(C(=O)CC(N)=O)CC[C@H]32)nc1=O ZINC001036672441 663694287 /nfs/dbraw/zinc/69/42/87/663694287.db2.gz AOPXHAFPKWAJMC-VHSXEESVSA-N 1 1 322.369 -1.593 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005911528 663694412 /nfs/dbraw/zinc/69/44/12/663694412.db2.gz GTPYMPTUUXYPAX-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005911525 663694521 /nfs/dbraw/zinc/69/45/21/663694521.db2.gz GTPYMPTUUXYPAX-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](Cc2cnnn2C)CC1 ZINC001005913617 663694538 /nfs/dbraw/zinc/69/45/38/663694538.db2.gz NGVCCOGKWKPKOT-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]21 ZINC001036691704 663695108 /nfs/dbraw/zinc/69/51/08/663695108.db2.gz UGZOKOPMOTWQDU-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]21 ZINC001036690839 663695120 /nfs/dbraw/zinc/69/51/20/663695120.db2.gz GLVYEYYXVKYJBX-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)C1 ZINC001036699232 663695409 /nfs/dbraw/zinc/69/54/09/663695409.db2.gz LVNKMYVMHJKDKX-DGCLKSJQSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)CC[C@H]21 ZINC001036692155 663695460 /nfs/dbraw/zinc/69/54/60/663695460.db2.gz BJQYBZQCDKKAPM-NXEZZACHSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)CC[C@@H]21 ZINC001036692158 663695482 /nfs/dbraw/zinc/69/54/82/663695482.db2.gz BJQYBZQCDKKAPM-ZJUUUORDSA-N 1 1 308.342 -1.608 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001006009120 663695914 /nfs/dbraw/zinc/69/59/14/663695914.db2.gz WCUGQDPBRWLVIB-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)NCC1CC1 ZINC000923434663 663696877 /nfs/dbraw/zinc/69/68/77/663696877.db2.gz XKTWKJGOXIRZBR-UHFFFAOYSA-N 1 1 316.427 -1.568 20 0 DAADMO CSC[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436460 663696879 /nfs/dbraw/zinc/69/68/79/663696879.db2.gz GNKCWKQMKXNDQM-JTQLQIEISA-N 1 1 309.457 -1.371 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923431072 663696904 /nfs/dbraw/zinc/69/69/04/663696904.db2.gz QCLFDAHOHHIDTQ-SNVBAGLBSA-N 1 1 316.427 -1.427 20 0 DAADMO Cn1ncnc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433968 663696911 /nfs/dbraw/zinc/69/69/11/663696911.db2.gz MWFDLZNLJSDKFL-UHFFFAOYSA-N 1 1 300.388 -1.766 20 0 DAADMO CCCNC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433414 663696992 /nfs/dbraw/zinc/69/69/92/663696992.db2.gz SDXLKIUKXHSYTQ-UHFFFAOYSA-N 1 1 304.416 -1.568 20 0 DAADMO Cc1noc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000923434594 663697001 /nfs/dbraw/zinc/69/70/01/663697001.db2.gz URHXJAUCJFXJHE-UHFFFAOYSA-N 1 1 301.372 -1.203 20 0 DAADMO Cn1ncc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000923437725 663697016 /nfs/dbraw/zinc/69/70/16/663697016.db2.gz XEDKJVBUTAINJS-UHFFFAOYSA-N 1 1 300.388 -1.766 20 0 DAADMO CN1CC[C@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923436673 663697099 /nfs/dbraw/zinc/69/70/99/663697099.db2.gz JLOMGEPENJANOX-NSHDSACASA-N 1 1 302.400 -1.864 20 0 DAADMO CC[C@H](C)NC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433730 663697166 /nfs/dbraw/zinc/69/71/66/663697166.db2.gz VFLLBPVEQOVDSL-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO COC[C@@H](CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)OC ZINC000923436440 663697207 /nfs/dbraw/zinc/69/72/07/663697207.db2.gz FYILQOCMQYSILB-LLVKDONJSA-N 1 1 307.416 -1.433 20 0 DAADMO CCOC(=O)CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437826 663697244 /nfs/dbraw/zinc/69/72/44/663697244.db2.gz ZOYHMJLIPUIQJX-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO [NH3+]C[C@@H]1CC2(CO1)CCN(CC(=O)N1CCNC(=O)C1)CC2 ZINC000923456577 663697679 /nfs/dbraw/zinc/69/76/79/663697679.db2.gz XWQUWRAFEAEDOB-LBPRGKRZSA-N 1 1 310.398 -1.225 20 0 DAADMO C[C@H]1[C@@H](NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000923471564 663697699 /nfs/dbraw/zinc/69/76/99/663697699.db2.gz QXFXUMVGMZXTBE-ONGXEEELSA-N 1 1 319.431 -1.131 20 0 DAADMO CON1CC[C@@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437077 663697811 /nfs/dbraw/zinc/69/78/11/663697811.db2.gz NLTRPDHGVGIBCI-LLVKDONJSA-N 1 1 318.399 -1.932 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001006137539 663697998 /nfs/dbraw/zinc/69/79/98/663697998.db2.gz VNBOETALHAUYMW-UHFFFAOYSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(c1ccn[nH]1)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946918527 663698037 /nfs/dbraw/zinc/69/80/37/663698037.db2.gz LOIYHYHRVJKVPI-JTQLQIEISA-N 1 1 307.354 -1.145 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC001006130885 663698182 /nfs/dbraw/zinc/69/81/82/663698182.db2.gz XOXNCCJRGRLVFQ-GHMZBOCLSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)C[NH+]1CCOCC1 ZINC000737983920 663791589 /nfs/dbraw/zinc/79/15/89/663791589.db2.gz KVDUKIOOFMLGEU-LLVKDONJSA-N 1 1 324.381 -1.218 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1)N1CCOCC1 ZINC000838781364 663793818 /nfs/dbraw/zinc/79/38/18/663793818.db2.gz UROIYFYMEJPGEM-ZDUSSCGKSA-N 1 1 311.382 -1.240 20 0 DAADMO NS(=O)(=O)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000743324506 663796385 /nfs/dbraw/zinc/79/63/85/663796385.db2.gz DWQBNSVSQXOUEB-NSHDSACASA-N 1 1 305.400 -1.012 20 0 DAADMO C[NH+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000748111281 663800680 /nfs/dbraw/zinc/80/06/80/663800680.db2.gz KJKPHIMBPIRCGW-UHFFFAOYSA-N 1 1 320.415 -1.395 20 0 DAADMO COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[NH+]1CCOCC1 ZINC000751320893 663802232 /nfs/dbraw/zinc/80/22/32/663802232.db2.gz BXZZXDVCUJNMGW-NSHDSACASA-N 1 1 313.354 -1.401 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000751746353 663803091 /nfs/dbraw/zinc/80/30/91/663803091.db2.gz SBEBHWRLXROFCD-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[S@](C)=O ZINC000804998701 663803230 /nfs/dbraw/zinc/80/32/30/663803230.db2.gz KNGZLOSBPQFCDS-NRFANRHFSA-N 1 1 320.459 -1.567 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000752095098 663803693 /nfs/dbraw/zinc/80/36/93/663803693.db2.gz TXEIYKQAZXUYGN-TXEJJXNPSA-N 1 1 315.370 -1.285 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000752095098 663803694 /nfs/dbraw/zinc/80/36/94/663803694.db2.gz TXEIYKQAZXUYGN-TXEJJXNPSA-N 1 1 315.370 -1.285 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC000760642314 663809591 /nfs/dbraw/zinc/80/95/91/663809591.db2.gz VQSSKIWBJLYSRC-UHFFFAOYSA-N 1 1 322.431 -1.343 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764201119 663811911 /nfs/dbraw/zinc/81/19/11/663811911.db2.gz IPEQOZZIWAPECY-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000766145441 663813569 /nfs/dbraw/zinc/81/35/69/663813569.db2.gz ZYPVXCILXLSKHR-LLVKDONJSA-N 1 1 304.416 -1.487 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1CCNC(=O)C1 ZINC000769720440 663815944 /nfs/dbraw/zinc/81/59/44/663815944.db2.gz LJJWNUSRHBSHDJ-UHFFFAOYSA-N 1 1 311.386 -2.349 20 0 DAADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CC2OCCO2)C1 ZINC000777615394 663822534 /nfs/dbraw/zinc/82/25/34/663822534.db2.gz IRLYILPMISKSPI-MNOVXSKESA-N 1 1 306.384 -1.553 20 0 DAADMO O=S1(=O)C[C@@H]([NH2+]CC2OCCO2)[C@H](N2CCOCC2)C1 ZINC000777615393 663822644 /nfs/dbraw/zinc/82/26/44/663822644.db2.gz IRLYILPMISKSPI-GHMZBOCLSA-N 1 1 306.384 -1.553 20 0 DAADMO CS(=O)(=O)N1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000779334490 663823777 /nfs/dbraw/zinc/82/37/77/663823777.db2.gz LQPXFLKJHBOKAD-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C)S(N)(=O)=O ZINC000781971618 663825752 /nfs/dbraw/zinc/82/57/52/663825752.db2.gz WQAIDTJFDLVRAY-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000782586573 663826528 /nfs/dbraw/zinc/82/65/28/663826528.db2.gz OJCXDUBFYSWSGP-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CC1(C)OCC(CO)([NH2+]CC(=O)N2CCNC(=O)C2)CO1 ZINC000788000903 663831087 /nfs/dbraw/zinc/83/10/87/663831087.db2.gz WLVAOUAGPIDQBX-UHFFFAOYSA-N 1 1 301.343 -1.952 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790272849 663832826 /nfs/dbraw/zinc/83/28/26/663832826.db2.gz GUSJZKUAGRDWBH-WDEREUQCSA-N 1 1 317.411 -1.110 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790272843 663832830 /nfs/dbraw/zinc/83/28/30/663832830.db2.gz GUSJZKUAGRDWBH-GHMZBOCLSA-N 1 1 317.411 -1.110 20 0 DAADMO O=C(NCCn1cccn1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793745025 663835581 /nfs/dbraw/zinc/83/55/81/663835581.db2.gz JGGHRUMZRQELBD-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000795086709 663837083 /nfs/dbraw/zinc/83/70/83/663837083.db2.gz QZGXKZILIWVVOC-UWVGGRQHSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000795086709 663837084 /nfs/dbraw/zinc/83/70/84/663837084.db2.gz QZGXKZILIWVVOC-UWVGGRQHSA-N 1 1 301.372 -1.043 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036724133 663841353 /nfs/dbraw/zinc/84/13/53/663841353.db2.gz ALRBLJQPZJPPAO-PWSUYJOCSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036764223 663841877 /nfs/dbraw/zinc/84/18/77/663841877.db2.gz NGUSIMKIEBIAIB-NEPJUHHUSA-N 1 1 322.365 -1.136 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036791940 663841900 /nfs/dbraw/zinc/84/19/00/663841900.db2.gz HQKKGRGRRGSRIB-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)c1=O ZINC001036753429 663841921 /nfs/dbraw/zinc/84/19/21/663841921.db2.gz QFYCSVRHVVJKPZ-RYUDHWBXSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036791551 663841993 /nfs/dbraw/zinc/84/19/93/663841993.db2.gz AUWSJEBALJQMPU-CHWSQXEVSA-N 1 1 310.398 -1.667 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nc1=O ZINC001036806683 663842239 /nfs/dbraw/zinc/84/22/39/663842239.db2.gz SGCLJHKBBGPVEB-BDAKNGLRSA-N 1 1 308.342 -1.984 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nc1=O ZINC001036806683 663842241 /nfs/dbraw/zinc/84/22/41/663842241.db2.gz SGCLJHKBBGPVEB-BDAKNGLRSA-N 1 1 308.342 -1.984 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036764226 663842296 /nfs/dbraw/zinc/84/22/96/663842296.db2.gz NGUSIMKIEBIAIB-VXGBXAGGSA-N 1 1 322.365 -1.136 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)N2CCOCC2)C1 ZINC001036805862 663842542 /nfs/dbraw/zinc/84/25/42/663842542.db2.gz GMIVKFVIIOOYNY-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036841856 663842552 /nfs/dbraw/zinc/84/25/52/663842552.db2.gz GOFDVCXVULSKDU-JQWIXIFHSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]21 ZINC001036853042 663842603 /nfs/dbraw/zinc/84/26/03/663842603.db2.gz NFOAPOSKLWUZQR-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036841858 663842754 /nfs/dbraw/zinc/84/27/54/663842754.db2.gz GOFDVCXVULSKDU-ZYHUDNBSSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]21 ZINC001036853041 663842776 /nfs/dbraw/zinc/84/27/76/663842776.db2.gz NFOAPOSKLWUZQR-QWRGUYRKSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036806207 663842880 /nfs/dbraw/zinc/84/28/80/663842880.db2.gz LLWQECBXFDHGNA-GHMZBOCLSA-N 1 1 309.370 -1.580 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036844467 663842908 /nfs/dbraw/zinc/84/29/08/663842908.db2.gz WIKHWJVJJAAUMF-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)N2CCOCC2)C1 ZINC001036805860 663843026 /nfs/dbraw/zinc/84/30/26/663843026.db2.gz GMIVKFVIIOOYNY-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@H]21 ZINC001036890218 663843731 /nfs/dbraw/zinc/84/37/31/663843731.db2.gz OXVYJJSYKUEIOE-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[S@](C)=O)C[NH+]1CCOCC1 ZINC000804023416 663844027 /nfs/dbraw/zinc/84/40/27/663844027.db2.gz JNSHJNZJHMTYTM-MQJDWESPSA-N 1 1 319.427 -1.434 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)n(C)c1=O ZINC001036905444 663844044 /nfs/dbraw/zinc/84/40/44/663844044.db2.gz KEKHHUVJGGQMEC-MNOVXSKESA-N 1 1 321.381 -1.255 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]1CO ZINC000804053000 663844083 /nfs/dbraw/zinc/84/40/83/663844083.db2.gz GUOUKDPBNLHKOQ-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036888173 663844305 /nfs/dbraw/zinc/84/43/05/663844305.db2.gz FEPGGNXIXPDTID-QWRGUYRKSA-N 1 1 310.354 -1.547 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)n(C)c1=O ZINC001036905446 663844473 /nfs/dbraw/zinc/84/44/73/663844473.db2.gz KEKHHUVJGGQMEC-WDEREUQCSA-N 1 1 321.381 -1.255 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061934 663844880 /nfs/dbraw/zinc/84/48/80/663844880.db2.gz XWNWKGKGPDCHJC-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000804084042 663845145 /nfs/dbraw/zinc/84/51/45/663845145.db2.gz KLLODLYHAJFAGF-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO Cn1ncc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000806390525 663845755 /nfs/dbraw/zinc/84/57/55/663845755.db2.gz KQQKTVAHCGMING-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000807283826 663846124 /nfs/dbraw/zinc/84/61/24/663846124.db2.gz KUHCXPFARSQVGN-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000807283824 663846255 /nfs/dbraw/zinc/84/62/55/663846255.db2.gz KUHCXPFARSQVGN-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000807283827 663846307 /nfs/dbraw/zinc/84/63/07/663846307.db2.gz KUHCXPFARSQVGN-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000809441354 663848031 /nfs/dbraw/zinc/84/80/31/663848031.db2.gz WCXZFGPVHVJQQB-MWLCHTKSSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000809441354 663848035 /nfs/dbraw/zinc/84/80/35/663848035.db2.gz WCXZFGPVHVJQQB-MWLCHTKSSA-N 1 1 311.342 -1.170 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+](CCN2CCOC2=O)CC1 ZINC000812841049 663850091 /nfs/dbraw/zinc/85/00/91/663850091.db2.gz OOQWKRUJFMIZRU-UHFFFAOYSA-N 1 1 306.388 -1.043 20 0 DAADMO C[N@@H+](C[C@H](O)CNCCS(=O)(=O)N1CCOCC1)C1CC1 ZINC000818989193 663855982 /nfs/dbraw/zinc/85/59/82/663855982.db2.gz KLFQOXRELYCVSX-CYBMUJFWSA-N 1 1 321.443 -1.307 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000819824112 663856486 /nfs/dbraw/zinc/85/64/86/663856486.db2.gz JCZIMJZWZLDKBX-NWDGAFQWSA-N 1 1 324.381 -1.375 20 0 DAADMO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000820272556 663857110 /nfs/dbraw/zinc/85/71/10/663857110.db2.gz MXHAHDUKXKDCPV-GUBZILKMSA-N 1 1 301.368 -1.938 20 0 DAADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000820272556 663857113 /nfs/dbraw/zinc/85/71/13/663857113.db2.gz MXHAHDUKXKDCPV-GUBZILKMSA-N 1 1 301.368 -1.938 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000820263654 663857551 /nfs/dbraw/zinc/85/75/51/663857551.db2.gz GRHZYUHDALUZJY-VWYCJHECSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000820341542 663857991 /nfs/dbraw/zinc/85/79/91/663857991.db2.gz FMCWPHQBOBKLMC-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000822158159 663860596 /nfs/dbraw/zinc/86/05/96/663860596.db2.gz GGFNGNYMQBMCTR-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000822158159 663860599 /nfs/dbraw/zinc/86/05/99/663860599.db2.gz GGFNGNYMQBMCTR-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000822158163 663861021 /nfs/dbraw/zinc/86/10/21/663861021.db2.gz GGFNGNYMQBMCTR-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000822158163 663861023 /nfs/dbraw/zinc/86/10/23/663861023.db2.gz GGFNGNYMQBMCTR-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)CC[N@@H+](C)C1 ZINC000822631504 663861593 /nfs/dbraw/zinc/86/15/93/663861593.db2.gz ZGPFGJXJCKCALF-ZJUUUORDSA-N 1 1 315.395 -1.219 20 0 DAADMO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000823818157 663862476 /nfs/dbraw/zinc/86/24/76/663862476.db2.gz WJTKIWTYHHNACE-NSHDSACASA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@]1(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCS(=O)(=O)N1 ZINC000824019229 663863279 /nfs/dbraw/zinc/86/32/79/663863279.db2.gz QJNSOGXIYPAELA-DGCLKSJQSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@]1(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCS(=O)(=O)N1 ZINC000824019229 663863281 /nfs/dbraw/zinc/86/32/81/663863281.db2.gz QJNSOGXIYPAELA-DGCLKSJQSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000824740533 663863334 /nfs/dbraw/zinc/86/33/34/663863334.db2.gz HBQWGRXJKNLPSD-RYMFRWLXSA-N 1 1 312.366 -1.621 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCO[C@H](Cn2ccnn2)C1 ZINC000824664967 663863495 /nfs/dbraw/zinc/86/34/95/663863495.db2.gz DWAXMYXTNFJHOQ-UONOGXRCSA-N 1 1 320.397 -1.105 20 0 DAADMO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000824115386 663863597 /nfs/dbraw/zinc/86/35/97/663863597.db2.gz QMJREMCBKMHMHU-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](O)c1cnn(C)c1 ZINC000825293735 663863870 /nfs/dbraw/zinc/86/38/70/663863870.db2.gz VCCBSHZZBNKDAE-CYBMUJFWSA-N 1 1 309.370 -1.314 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000825526788 663864697 /nfs/dbraw/zinc/86/46/97/663864697.db2.gz JLGALTKJESDTCK-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000825624712 663865161 /nfs/dbraw/zinc/86/51/61/663865161.db2.gz BVVQNYIINUIJIH-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000825624712 663865162 /nfs/dbraw/zinc/86/51/62/663865162.db2.gz BVVQNYIINUIJIH-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000826106462 663865457 /nfs/dbraw/zinc/86/54/57/663865457.db2.gz BARIVESEFMXDBT-AWEZNQCLSA-N 1 1 308.338 -1.064 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000826119852 663865717 /nfs/dbraw/zinc/86/57/17/663865717.db2.gz VCEREVKJLTZANO-CQSZACIVSA-N 1 1 308.338 -1.064 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826140187 663866501 /nfs/dbraw/zinc/86/65/01/663866501.db2.gz AJZPNFWMWCHLDW-BXUZGUMPSA-N 1 1 313.354 -1.939 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]23COCCN2C(=O)COC3)C1 ZINC000826140187 663866502 /nfs/dbraw/zinc/86/65/02/663866502.db2.gz AJZPNFWMWCHLDW-BXUZGUMPSA-N 1 1 313.354 -1.939 20 0 DAADMO CC(C)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)CS(N)(=O)=O ZINC000826878992 663867322 /nfs/dbraw/zinc/86/73/22/663867322.db2.gz RDWWSDIZUFKTIF-NSHDSACASA-N 1 1 318.443 -1.193 20 0 DAADMO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000827087646 663867646 /nfs/dbraw/zinc/86/76/46/663867646.db2.gz PUNCRBWVBJTXPY-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000827087646 663867649 /nfs/dbraw/zinc/86/76/49/663867649.db2.gz PUNCRBWVBJTXPY-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@@]1(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCS(=O)(=O)N1 ZINC000827528072 663867745 /nfs/dbraw/zinc/86/77/45/663867745.db2.gz GWWLIAPRUYRNTA-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000827318081 663867899 /nfs/dbraw/zinc/86/78/99/663867899.db2.gz DRNAXDVLZBVMQC-NXEZZACHSA-N 1 1 308.338 -1.040 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCN(C2CC2)C1=O ZINC000827578003 663868454 /nfs/dbraw/zinc/86/84/54/663868454.db2.gz QKVSPUKFCVPHDL-DOMZBBRYSA-N 1 1 311.382 -1.146 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000828510441 663869835 /nfs/dbraw/zinc/86/98/35/663869835.db2.gz IMSVELFLVZXCSI-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000828510437 663870067 /nfs/dbraw/zinc/87/00/67/663870067.db2.gz IMSVELFLVZXCSI-QJPTWQEYSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961359 663870498 /nfs/dbraw/zinc/87/04/98/663870498.db2.gz WGZCXKFQRKEOFV-AXFHLTTASA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961359 663870500 /nfs/dbraw/zinc/87/05/00/663870500.db2.gz WGZCXKFQRKEOFV-AXFHLTTASA-N 1 1 315.395 -1.405 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842164737 663876904 /nfs/dbraw/zinc/87/69/04/663876904.db2.gz NZJATXPEHKTLQH-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000842164737 663876908 /nfs/dbraw/zinc/87/69/08/663876908.db2.gz NZJATXPEHKTLQH-JHJVBQTASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163901 663877105 /nfs/dbraw/zinc/87/71/05/663877105.db2.gz ALCMVLBGMGVJHQ-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163901 663877107 /nfs/dbraw/zinc/87/71/07/663877107.db2.gz ALCMVLBGMGVJHQ-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164731 663877241 /nfs/dbraw/zinc/87/72/41/663877241.db2.gz NZJATXPEHKTLQH-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164731 663877246 /nfs/dbraw/zinc/87/72/46/663877246.db2.gz NZJATXPEHKTLQH-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163896 663877271 /nfs/dbraw/zinc/87/72/71/663877271.db2.gz ALCMVLBGMGVJHQ-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163896 663877273 /nfs/dbraw/zinc/87/72/73/663877273.db2.gz ALCMVLBGMGVJHQ-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)S1(=O)=O ZINC000843777727 663879294 /nfs/dbraw/zinc/87/92/94/663879294.db2.gz BLXZOMACLNFVAO-IJLUTSLNSA-N 1 1 317.411 -1.000 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844964822 663881596 /nfs/dbraw/zinc/88/15/96/663881596.db2.gz OSUXUGDKNXFIRH-LLVKDONJSA-N 1 1 320.415 -1.614 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844964822 663881598 /nfs/dbraw/zinc/88/15/98/663881598.db2.gz OSUXUGDKNXFIRH-LLVKDONJSA-N 1 1 320.415 -1.614 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867424994 663887133 /nfs/dbraw/zinc/88/71/33/663887133.db2.gz ZILWUGJOKBPWRT-UTUOFQBUSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC[C@@H]21 ZINC000867426179 663887162 /nfs/dbraw/zinc/88/71/62/663887162.db2.gz KWEPQFRPXQSQDX-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867424992 663887398 /nfs/dbraw/zinc/88/73/98/663887398.db2.gz ZILWUGJOKBPWRT-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846739347 663888610 /nfs/dbraw/zinc/88/86/10/663888610.db2.gz YEVGZABXZGGPGK-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(=O)n1C ZINC000847406521 663889786 /nfs/dbraw/zinc/88/97/86/663889786.db2.gz CUSXIMMUHBOWAU-NEPJUHHUSA-N 1 1 309.370 -1.130 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CCN1C(=O)CCNC1=S ZINC000847747787 663890040 /nfs/dbraw/zinc/89/00/40/663890040.db2.gz QMRBFWUQJIIUTB-UHFFFAOYSA-N 1 1 316.427 -1.086 20 0 DAADMO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000848637413 663892308 /nfs/dbraw/zinc/89/23/08/663892308.db2.gz PTUCGCQCFOULDM-FRRDWIJNSA-N 1 1 310.398 -1.539 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000852593450 663897598 /nfs/dbraw/zinc/89/75/98/663897598.db2.gz KPLHRVVQSLXNHG-JLIMGVALSA-N 1 1 302.352 -1.465 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000852593450 663897600 /nfs/dbraw/zinc/89/76/00/663897600.db2.gz KPLHRVVQSLXNHG-JLIMGVALSA-N 1 1 302.352 -1.465 20 0 DAADMO NC(=O)[C@@](O)(C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000852153214 663897905 /nfs/dbraw/zinc/89/79/05/663897905.db2.gz CSAAENGIQOCRTP-HEHGZKQESA-N 1 1 319.361 -1.051 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854353700 663901605 /nfs/dbraw/zinc/90/16/05/663901605.db2.gz DCFLMKVLGYTATO-GFCCVEGCSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@]1(OCCO)CCOC1 ZINC000855405105 663906001 /nfs/dbraw/zinc/90/60/01/663906001.db2.gz DWFJNTVBJSMQTA-AWEZNQCLSA-N 1 1 302.371 -1.007 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000859914856 663914139 /nfs/dbraw/zinc/91/41/39/663914139.db2.gz UUCLOTYYKWGEMH-ZJUUUORDSA-N 1 1 319.383 -1.328 20 0 DAADMO NC(=O)C[C@@H]1C[N@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011176 663914345 /nfs/dbraw/zinc/91/43/45/663914345.db2.gz XDDVBUPOPIFHBR-IUODEOHRSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011176 663914347 /nfs/dbraw/zinc/91/43/47/663914347.db2.gz XDDVBUPOPIFHBR-IUODEOHRSA-N 1 1 307.350 -1.064 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861718737 663917498 /nfs/dbraw/zinc/91/74/98/663917498.db2.gz ZDICQHNNQFEUNM-TUAOUCFPSA-N 1 1 300.355 -1.032 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCn2cnc3c2ncnc3N)C1 ZINC000862975360 663922585 /nfs/dbraw/zinc/92/25/85/663922585.db2.gz COXCNRLHSOPXRK-VIFPVBQESA-N 1 1 305.342 -1.145 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCn2cnc3c2ncnc3N)C1 ZINC000862975360 663922587 /nfs/dbraw/zinc/92/25/87/663922587.db2.gz COXCNRLHSOPXRK-VIFPVBQESA-N 1 1 305.342 -1.145 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](O)C1)C(F)(F)C(=O)N1CCOCC1 ZINC000863524275 663924260 /nfs/dbraw/zinc/92/42/60/663924260.db2.gz AMPGPHWJYCLSGJ-JTQLQIEISA-N 1 1 321.324 -1.337 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)C(=O)N1CCOCC1 ZINC000863524275 663924265 /nfs/dbraw/zinc/92/42/65/663924265.db2.gz AMPGPHWJYCLSGJ-JTQLQIEISA-N 1 1 321.324 -1.337 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000864076731 663928523 /nfs/dbraw/zinc/92/85/23/663928523.db2.gz DDJUANGSYBQSNN-ZYHUDNBSSA-N 1 1 320.415 -1.952 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866675867 663931368 /nfs/dbraw/zinc/93/13/68/663931368.db2.gz RVDXRGRMFQLSSU-NXEZZACHSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1cnnc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866675867 663931371 /nfs/dbraw/zinc/93/13/71/663931371.db2.gz RVDXRGRMFQLSSU-NXEZZACHSA-N 1 1 301.372 -1.043 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NC2CCN(CC(N)=O)CC2)CC1 ZINC000866446206 663932058 /nfs/dbraw/zinc/93/20/58/663932058.db2.gz PPUHQSRPNCVZKF-UHFFFAOYSA-N 1 1 318.443 -1.050 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000867625472 663932795 /nfs/dbraw/zinc/93/27/95/663932795.db2.gz JCUOUNHHCQPBHF-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO COCCN1CCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604200 663932869 /nfs/dbraw/zinc/93/28/69/663932869.db2.gz DAFKIRNYWZCULD-LBPRGKRZSA-N 1 1 306.432 -1.163 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC(=O)N1 ZINC000867799845 663933261 /nfs/dbraw/zinc/93/32/61/663933261.db2.gz XUJLDWGSROBNSS-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC(=O)N1 ZINC000867799844 663933517 /nfs/dbraw/zinc/93/35/17/663933517.db2.gz XUJLDWGSROBNSS-UTUOFQBUSA-N 1 1 308.382 -1.114 20 0 DAADMO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000868419054 663934262 /nfs/dbraw/zinc/93/42/62/663934262.db2.gz UJKSOSVKVFCCNB-CRWXNKLISA-N 1 1 322.409 -1.383 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607350 663935723 /nfs/dbraw/zinc/93/57/23/663935723.db2.gz VETLKWZJASODSC-GFCCVEGCSA-N 1 1 305.448 -1.638 20 0 DAADMO O=S(=O)(N1CCC[C@@H]1Cn1cncn1)N1CC[NH2+]CC1 ZINC000923609988 663936204 /nfs/dbraw/zinc/93/62/04/663936204.db2.gz WJXKHAJPRRATLB-LLVKDONJSA-N 1 1 300.388 -1.108 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 ZINC000870067432 663936583 /nfs/dbraw/zinc/93/65/83/663936583.db2.gz NAHOTSMFFOONSH-UONOGXRCSA-N 1 1 313.398 -1.123 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 ZINC000870067432 663936584 /nfs/dbraw/zinc/93/65/84/663936584.db2.gz NAHOTSMFFOONSH-UONOGXRCSA-N 1 1 313.398 -1.123 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869783101 663937086 /nfs/dbraw/zinc/93/70/86/663937086.db2.gz ZFVCIZFGGDGGFU-UWVGGRQHSA-N 1 1 307.416 -1.115 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000923631200 663938709 /nfs/dbraw/zinc/93/87/09/663938709.db2.gz JCHYDBHRTYXHED-LBPRGKRZSA-N 1 1 304.416 -1.457 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CNCCO1 ZINC000872302092 663939248 /nfs/dbraw/zinc/93/92/48/663939248.db2.gz ODTIWRUXGDXNTO-OXIQGZBJSA-N 1 1 324.381 -1.242 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC(=O)NCC23COC3)CC1 ZINC000872685970 663940592 /nfs/dbraw/zinc/94/05/92/663940592.db2.gz PJFCVZYIBCKOEA-UHFFFAOYSA-N 1 1 303.384 -1.389 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(CC(=O)NC)CC(=O)NC)C1 ZINC000874897413 663941836 /nfs/dbraw/zinc/94/18/36/663941836.db2.gz IYAOOGMOZAPSLA-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(CC(=O)NC)CC(=O)NC)C1 ZINC000874897413 663941838 /nfs/dbraw/zinc/94/18/38/663941838.db2.gz IYAOOGMOZAPSLA-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]2C1=O ZINC000874981224 663943012 /nfs/dbraw/zinc/94/30/12/663943012.db2.gz KTVUNIGVBQSOBN-TXEJJXNPSA-N 1 1 324.381 -1.035 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000875237116 663943123 /nfs/dbraw/zinc/94/31/23/663943123.db2.gz IAGUWMOWVXZNFK-MNOVXSKESA-N 1 1 313.354 -1.221 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875545696 663944167 /nfs/dbraw/zinc/94/41/67/663944167.db2.gz FISCPFJKMMOOHN-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000875618988 663944478 /nfs/dbraw/zinc/94/44/78/663944478.db2.gz OPBCWUZUPMALEN-UHFFFAOYSA-N 1 1 301.343 -1.362 20 0 DAADMO CON(C)C(=O)[C@@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000875906159 663944861 /nfs/dbraw/zinc/94/48/61/663944861.db2.gz DDJGXRQTMPRYJI-OUAUKWLOSA-N 1 1 300.359 -1.145 20 0 DAADMO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000876754060 663947720 /nfs/dbraw/zinc/94/77/20/663947720.db2.gz AXMHGFYQPWSJLL-OCCSQVGLSA-N 1 1 301.387 -1.172 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(COC)CNCCO2)C1 ZINC000876754060 663947721 /nfs/dbraw/zinc/94/77/21/663947721.db2.gz AXMHGFYQPWSJLL-OCCSQVGLSA-N 1 1 301.387 -1.172 20 0 DAADMO COC[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CNCCO1 ZINC000876853479 663948245 /nfs/dbraw/zinc/94/82/45/663948245.db2.gz LSEGSQNUIBRLFV-DZGCQCFKSA-N 1 1 312.414 -1.503 20 0 DAADMO COC[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CNCCO1 ZINC000876853480 663948483 /nfs/dbraw/zinc/94/84/83/663948483.db2.gz LSEGSQNUIBRLFV-HIFRSBDPSA-N 1 1 312.414 -1.503 20 0 DAADMO COC[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CNCCO1 ZINC000876849006 663948660 /nfs/dbraw/zinc/94/86/60/663948660.db2.gz WIBSQWIQWRNGEA-HIFRSBDPSA-N 1 1 312.414 -1.503 20 0 DAADMO O=C(NC[C@@]12COCCN1C(=O)COC2)[C@@H]1CSC[NH2+]1 ZINC000877248979 663950336 /nfs/dbraw/zinc/95/03/36/663950336.db2.gz SASCGACAYICVIC-CABZTGNLSA-N 1 1 301.368 -1.607 20 0 DAADMO CCO[C@H](CNS(=O)(=O)C[C@@H]1CNCCO1)C[NH+](C)C ZINC000923676473 663951565 /nfs/dbraw/zinc/95/15/65/663951565.db2.gz PPNLODPXLIVFRZ-NEPJUHHUSA-N 1 1 309.432 -1.139 20 0 DAADMO CCO[C@H](CNS(=O)(=O)C[C@H]1CNCCO1)C[NH+](C)C ZINC000923676476 663952366 /nfs/dbraw/zinc/95/23/66/663952366.db2.gz PPNLODPXLIVFRZ-VXGBXAGGSA-N 1 1 309.432 -1.139 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533204 663953779 /nfs/dbraw/zinc/95/37/79/663953779.db2.gz CLKOPESTJOWZLJ-AOOOYVTPSA-N 1 1 303.384 -1.138 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879608584 663953958 /nfs/dbraw/zinc/95/39/58/663953958.db2.gz LVNDOMNBMBUZRX-TUAOUCFPSA-N 1 1 300.355 -1.032 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535662 663954075 /nfs/dbraw/zinc/95/40/75/663954075.db2.gz QPRODLKRPGWQIE-KKOKHZNYSA-N 1 1 300.355 -1.055 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN1CCCCS1(=O)=O ZINC000879509880 663954120 /nfs/dbraw/zinc/95/41/20/663954120.db2.gz GTWBCAZPXHKTNM-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC000879484365 663954332 /nfs/dbraw/zinc/95/43/32/663954332.db2.gz SXCVKPVRBSKABA-LBPRGKRZSA-N 1 1 305.400 -1.405 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC000879484364 663954753 /nfs/dbraw/zinc/95/47/53/663954753.db2.gz SXCVKPVRBSKABA-GFCCVEGCSA-N 1 1 305.400 -1.405 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695950 663954841 /nfs/dbraw/zinc/95/48/41/663954841.db2.gz XAVXODATWXUANQ-PHIMTYICSA-N 1 1 302.371 -1.023 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695950 663954843 /nfs/dbraw/zinc/95/48/43/663954843.db2.gz XAVXODATWXUANQ-PHIMTYICSA-N 1 1 302.371 -1.023 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879719807 663954846 /nfs/dbraw/zinc/95/48/46/663954846.db2.gz UFDOQIUBNIUENM-ZWNOBZJWSA-N 1 1 313.354 -1.355 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879719807 663954848 /nfs/dbraw/zinc/95/48/48/663954848.db2.gz UFDOQIUBNIUENM-ZWNOBZJWSA-N 1 1 313.354 -1.355 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000879995469 663955111 /nfs/dbraw/zinc/95/51/11/663955111.db2.gz FETKDSHHQXNDIU-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726059 663955505 /nfs/dbraw/zinc/95/55/05/663955505.db2.gz TUPPMPLEEVRFOV-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726059 663955509 /nfs/dbraw/zinc/95/55/09/663955509.db2.gz TUPPMPLEEVRFOV-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO O=C(CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)NCC(=O)N1CCCC1 ZINC000880070331 663955561 /nfs/dbraw/zinc/95/55/61/663955561.db2.gz CZDKSLZYBRYUNY-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726056 663955635 /nfs/dbraw/zinc/95/56/35/663955635.db2.gz TUPPMPLEEVRFOV-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726056 663955639 /nfs/dbraw/zinc/95/56/39/663955639.db2.gz TUPPMPLEEVRFOV-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000880561256 663956114 /nfs/dbraw/zinc/95/61/14/663956114.db2.gz KHFFDENTMCYPRK-AWEZNQCLSA-N 1 1 310.354 -1.012 20 0 DAADMO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000880561256 663956117 /nfs/dbraw/zinc/95/61/17/663956117.db2.gz KHFFDENTMCYPRK-AWEZNQCLSA-N 1 1 310.354 -1.012 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000880412007 663956153 /nfs/dbraw/zinc/95/61/53/663956153.db2.gz LTSDXVINTMFKTE-GFCCVEGCSA-N 1 1 317.411 -1.311 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000880412007 663956156 /nfs/dbraw/zinc/95/61/56/663956156.db2.gz LTSDXVINTMFKTE-GFCCVEGCSA-N 1 1 317.411 -1.311 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC=C[C@H]3CO)c2c(=O)n(C)c1=O ZINC000880486393 663956190 /nfs/dbraw/zinc/95/61/90/663956190.db2.gz BHFCRZIQPNDWSH-JTQLQIEISA-N 1 1 305.338 -1.334 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1CC=C[C@H]1CO)S(C)(=O)=O ZINC000880487459 663956228 /nfs/dbraw/zinc/95/62/28/663956228.db2.gz VJDWKBAXGNAOSZ-NSHDSACASA-N 1 1 305.400 -1.383 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC=C[C@H]1CO)S(C)(=O)=O ZINC000880487459 663956229 /nfs/dbraw/zinc/95/62/29/663956229.db2.gz VJDWKBAXGNAOSZ-NSHDSACASA-N 1 1 305.400 -1.383 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880568268 663956420 /nfs/dbraw/zinc/95/64/20/663956420.db2.gz VPQCUBLLESUXQK-YGRLFVJLSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@](O)(C(=O)OC)C2)C1=O ZINC000880568268 663956424 /nfs/dbraw/zinc/95/64/24/663956424.db2.gz VPQCUBLLESUXQK-YGRLFVJLSA-N 1 1 314.338 -1.240 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859257 663957178 /nfs/dbraw/zinc/95/71/78/663957178.db2.gz UFLHZXDQZPGCRV-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859257 663957183 /nfs/dbraw/zinc/95/71/83/663957183.db2.gz UFLHZXDQZPGCRV-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000888867027 663957199 /nfs/dbraw/zinc/95/71/99/663957199.db2.gz YHTJKJWLVMFQIF-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000881805729 663957264 /nfs/dbraw/zinc/95/72/64/663957264.db2.gz QMQUUMGZNZFLTK-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000881805729 663957270 /nfs/dbraw/zinc/95/72/70/663957270.db2.gz QMQUUMGZNZFLTK-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859259 663957467 /nfs/dbraw/zinc/95/74/67/663957467.db2.gz UFLHZXDQZPGCRV-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859259 663957470 /nfs/dbraw/zinc/95/74/70/663957470.db2.gz UFLHZXDQZPGCRV-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000880860898 663957569 /nfs/dbraw/zinc/95/75/69/663957569.db2.gz ONURDTIHBWLHAG-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859256 663957603 /nfs/dbraw/zinc/95/76/03/663957603.db2.gz UFLHZXDQZPGCRV-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000888859256 663957606 /nfs/dbraw/zinc/95/76/06/663957606.db2.gz UFLHZXDQZPGCRV-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1ncnc1C1(O)CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000881953554 663958178 /nfs/dbraw/zinc/95/81/78/663958178.db2.gz CEVNXAJLPQASCX-NSHDSACASA-N 1 1 306.370 -1.765 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000882484424 663960004 /nfs/dbraw/zinc/96/00/04/663960004.db2.gz ZSHRWXSIFLQDPH-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO Cc1ncc(S(=O)(=O)NCC[N@H+](C)CCOCCO)n1C ZINC000882754210 663960489 /nfs/dbraw/zinc/96/04/89/663960489.db2.gz LQPYXMMYNXXXFS-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1ncc(S(=O)(=O)NCC[N@@H+](C)CCOCCO)n1C ZINC000882754210 663960494 /nfs/dbraw/zinc/96/04/94/663960494.db2.gz LQPYXMMYNXXXFS-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1cnn(C)c1S(=O)(=O)NCC[N@H+](C)CCOCCO ZINC000882754678 663960693 /nfs/dbraw/zinc/96/06/93/663960693.db2.gz CUBYISCKPKGNST-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1cnn(C)c1S(=O)(=O)NCC[N@@H+](C)CCOCCO ZINC000882754678 663960696 /nfs/dbraw/zinc/96/06/96/663960696.db2.gz CUBYISCKPKGNST-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000882802764 663960952 /nfs/dbraw/zinc/96/09/52/663960952.db2.gz PKMFLQTUVPNLLL-SNVBAGLBSA-N 1 1 302.400 -1.686 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CC(O)(c3ncnn3C)C2)C1 ZINC000883436554 663961596 /nfs/dbraw/zinc/96/15/96/663961596.db2.gz VWGZERJDJQAFNH-NSHDSACASA-N 1 1 324.385 -1.251 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)C1CC[NH+](CC(N)=O)CC1 ZINC001006373127 663962130 /nfs/dbraw/zinc/96/21/30/663962130.db2.gz UCAQHEIUDPTBEB-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252504 663963843 /nfs/dbraw/zinc/96/38/43/663963843.db2.gz MEMMNHLHJWWVTB-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252503 663963963 /nfs/dbraw/zinc/96/39/63/663963963.db2.gz MEMMNHLHJWWVTB-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H]1CO[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000884344418 663964279 /nfs/dbraw/zinc/96/42/79/663964279.db2.gz FPWRHXNQNIJIIS-ZYHUDNBSSA-N 1 1 317.411 -1.143 20 0 DAADMO O=C(NCCCCN1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884597772 663965932 /nfs/dbraw/zinc/96/59/32/663965932.db2.gz JNJSFBORJWVKJY-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000885886272 663969087 /nfs/dbraw/zinc/96/90/87/663969087.db2.gz UQBSRASTGAZGDI-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO COC(=O)C1CCN(S(=O)(=O)NCC[N@@H+](C)CCO)CC1 ZINC000885805515 663969675 /nfs/dbraw/zinc/96/96/75/663969675.db2.gz QURNKGRSFKJSGH-UHFFFAOYSA-N 1 1 323.415 -1.370 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)CCCN1CCOCC1 ZINC000885805355 663969994 /nfs/dbraw/zinc/96/99/94/663969994.db2.gz KEZWUTDKDBPQTJ-UHFFFAOYSA-N 1 1 309.432 -1.448 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)CCCN1CCOCC1 ZINC000885805355 663969996 /nfs/dbraw/zinc/96/99/96/663969996.db2.gz KEZWUTDKDBPQTJ-UHFFFAOYSA-N 1 1 309.432 -1.448 20 0 DAADMO O=C(N1CCN2[C@@H](CNS2(=O)=O)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000886180277 663971680 /nfs/dbraw/zinc/97/16/80/663971680.db2.gz MTCPFRDVTLWMLK-AAEUAGOBSA-N 1 1 314.411 -1.167 20 0 DAADMO CCN1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000887699600 663976799 /nfs/dbraw/zinc/97/67/99/663976799.db2.gz GBMWZRKHMYLOEY-UHFFFAOYSA-N 1 1 311.386 -1.018 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C[C@]2(C)C1 ZINC000887939000 663977000 /nfs/dbraw/zinc/97/70/00/663977000.db2.gz JYQRBGACZOQHGE-NRUUGDAUSA-N 1 1 315.395 -1.690 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889743023 663977555 /nfs/dbraw/zinc/97/75/55/663977555.db2.gz DABKUTXQKYTNNJ-VXGBXAGGSA-N 1 1 324.381 -1.062 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889765429 663977585 /nfs/dbraw/zinc/97/75/85/663977585.db2.gz YKPWKGHETZQWCP-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889765430 663977691 /nfs/dbraw/zinc/97/76/91/663977691.db2.gz YKPWKGHETZQWCP-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889765431 663978058 /nfs/dbraw/zinc/97/80/58/663978058.db2.gz YKPWKGHETZQWCP-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889782580 663978647 /nfs/dbraw/zinc/97/86/47/663978647.db2.gz SBXRPGRFOVNKQA-VXGBXAGGSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889782577 663978687 /nfs/dbraw/zinc/97/86/87/663978687.db2.gz SBXRPGRFOVNKQA-NWDGAFQWSA-N 1 1 324.381 -1.062 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000924229149 663979340 /nfs/dbraw/zinc/97/93/40/663979340.db2.gz AZNFVRZCSMVYFW-PWSUYJOCSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000924229149 663979343 /nfs/dbraw/zinc/97/93/43/663979343.db2.gz AZNFVRZCSMVYFW-PWSUYJOCSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H]1CCN(S(=O)(=O)N2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC000923716522 663979874 /nfs/dbraw/zinc/97/98/74/663979874.db2.gz FVBPTRWMMJNTEP-AXFHLTTASA-N 1 1 323.440 -1.356 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)CC1 ZINC000925277039 663980153 /nfs/dbraw/zinc/98/01/53/663980153.db2.gz APFLTBQHURCAKQ-WCQYABFASA-N 1 1 324.381 -1.062 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924986512 663980202 /nfs/dbraw/zinc/98/02/02/663980202.db2.gz IBSIKWPSHIYLAU-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925398098 663981010 /nfs/dbraw/zinc/98/10/10/663981010.db2.gz UFUIRTVXKARSDK-LLVKDONJSA-N 1 1 319.431 -1.176 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925424505 663981128 /nfs/dbraw/zinc/98/11/28/663981128.db2.gz MEEGFUVFKHMNDZ-NSHDSACASA-N 1 1 319.431 -1.082 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCN1C(=O)[C@H]2COCCN2C1=O ZINC000925391266 663981641 /nfs/dbraw/zinc/98/16/41/663981641.db2.gz WGHWARRHUVYINV-WDEREUQCSA-N 1 1 310.354 -1.011 20 0 DAADMO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000926413701 663983963 /nfs/dbraw/zinc/98/39/63/663983963.db2.gz QNGJMGPIJVVYML-CJNGLKHVSA-N 1 1 322.409 -1.229 20 0 DAADMO CN1C[C@@H](O)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426937 663984052 /nfs/dbraw/zinc/98/40/52/663984052.db2.gz ATKNTMYPDYRVPG-LOWDOPEQSA-N 1 1 310.398 -1.765 20 0 DAADMO CN1C[C@H](O)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926440525 663984171 /nfs/dbraw/zinc/98/41/71/663984171.db2.gz SAGICOQKJRMQHN-XJKCOSOUSA-N 1 1 324.425 -1.088 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085513 663985676 /nfs/dbraw/zinc/98/56/76/663985676.db2.gz JBPQWJVASAWPFS-VHSXEESVSA-N 1 1 322.456 -1.264 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947035900 663985761 /nfs/dbraw/zinc/98/57/61/663985761.db2.gz IKCODYRSACBSCC-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cnnn1C ZINC000947035900 663985763 /nfs/dbraw/zinc/98/57/63/663985763.db2.gz IKCODYRSACBSCC-QWRGUYRKSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC000947035918 663986076 /nfs/dbraw/zinc/98/60/76/663986076.db2.gz JCHCYSSMWDTRMD-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947035564 663986233 /nfs/dbraw/zinc/98/62/33/663986233.db2.gz BYXPGRCKKGVQBW-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947036266 663986302 /nfs/dbraw/zinc/98/63/02/663986302.db2.gz NVTQHOFXRXVYHQ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1c2ncn(CC(=O)NC[C@H]3CC[N@H+]3C)c2c(=O)n(C)c1=O ZINC000928573222 663986748 /nfs/dbraw/zinc/98/67/48/663986748.db2.gz NIWORTLMYPYVMF-SECBINFHSA-N 1 1 320.353 -1.746 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000928442092 663986819 /nfs/dbraw/zinc/98/68/19/663986819.db2.gz RAEAPKTUKAIYCS-UWVGGRQHSA-N 1 1 315.399 -1.093 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC(C)(C)CNS(C)(=O)=O)C1 ZINC000928862300 663986875 /nfs/dbraw/zinc/98/68/75/663986875.db2.gz BGBKQUGPQUGULI-UHFFFAOYSA-N 1 1 320.459 -1.076 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)C1(O)CCOCC1 ZINC000929223864 663988154 /nfs/dbraw/zinc/98/81/54/663988154.db2.gz DNBSBZXHILROMT-LBPRGKRZSA-N 1 1 302.371 -1.321 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)C1(O)CCOCC1 ZINC000929223864 663988155 /nfs/dbraw/zinc/98/81/55/663988155.db2.gz DNBSBZXHILROMT-LBPRGKRZSA-N 1 1 302.371 -1.321 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@@H](O)C1(O)CCOCC1 ZINC000929245838 663988165 /nfs/dbraw/zinc/98/81/65/663988165.db2.gz GCECLWAOCIUOEK-GFCCVEGCSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@@H](O)C1(O)CCOCC1 ZINC000929245838 663988167 /nfs/dbraw/zinc/98/81/67/663988167.db2.gz GCECLWAOCIUOEK-GFCCVEGCSA-N 1 1 304.387 -1.027 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCN1C ZINC000929526708 663988634 /nfs/dbraw/zinc/98/86/34/663988634.db2.gz VZKBIKFWUIBIRJ-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1nnc2c1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000929711449 663988924 /nfs/dbraw/zinc/98/89/24/663988924.db2.gz HJCTTXJQVIDAKQ-SNVBAGLBSA-N 1 1 320.397 -1.001 20 0 DAADMO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)CC2 ZINC000929953018 663988978 /nfs/dbraw/zinc/98/89/78/663988978.db2.gz LFKUMYSYAWYPRJ-GHMZBOCLSA-N 1 1 306.370 -1.162 20 0 DAADMO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)CC2 ZINC000929953018 663988981 /nfs/dbraw/zinc/98/89/81/663988981.db2.gz LFKUMYSYAWYPRJ-GHMZBOCLSA-N 1 1 306.370 -1.162 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000929521799 663989035 /nfs/dbraw/zinc/98/90/35/663989035.db2.gz OWEDFKDCNAGZIT-BFHYXJOUSA-N 1 1 317.430 -1.113 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000930016338 663989678 /nfs/dbraw/zinc/98/96/78/663989678.db2.gz ALVSBZQZDOSOQY-NWDGAFQWSA-N 1 1 322.427 -1.098 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929988320 663989708 /nfs/dbraw/zinc/98/97/08/663989708.db2.gz NARRBCPTMJVCCQ-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000930176499 663990121 /nfs/dbraw/zinc/99/01/21/663990121.db2.gz DXBYGKQLDDQBRE-JHJVBQTASA-N 1 1 322.427 -1.098 20 0 DAADMO C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000930539892 663991342 /nfs/dbraw/zinc/99/13/42/663991342.db2.gz CATKTNOGKPHMRX-UPJWGTAASA-N 1 1 322.427 -1.146 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000930926455 663992039 /nfs/dbraw/zinc/99/20/39/663992039.db2.gz KJTGRTOICOVFLT-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO COC(=O)[C@H]1CN(CC2CN(S(C)(=O)=O)C2)CC[N@@H+](C)C1 ZINC000930713260 663992758 /nfs/dbraw/zinc/99/27/58/663992758.db2.gz DPMJCJODNJEWKS-GFCCVEGCSA-N 1 1 319.427 -1.086 20 0 DAADMO COC(=O)[C@@H]1CN(C)CC[N@H+](CC2CN(S(C)(=O)=O)C2)C1 ZINC000930713260 663992766 /nfs/dbraw/zinc/99/27/66/663992766.db2.gz DPMJCJODNJEWKS-GFCCVEGCSA-N 1 1 319.427 -1.086 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)C2(O)CCOCC2)CC1 ZINC000931487680 663994051 /nfs/dbraw/zinc/99/40/51/663994051.db2.gz GEINKTZXEVCKSN-ZDUSSCGKSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)C2(O)CCOCC2)CC1 ZINC000931487680 663994057 /nfs/dbraw/zinc/99/40/57/663994057.db2.gz GEINKTZXEVCKSN-ZDUSSCGKSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931488828 663994066 /nfs/dbraw/zinc/99/40/66/663994066.db2.gz WUJPGULYVGEFBI-DZGCQCFKSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931488828 663994070 /nfs/dbraw/zinc/99/40/70/663994070.db2.gz WUJPGULYVGEFBI-DZGCQCFKSA-N 1 1 315.414 -1.405 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1CO ZINC000931413513 663994124 /nfs/dbraw/zinc/99/41/24/663994124.db2.gz YCHKHSVXTUJSDY-MRVPVSSYSA-N 1 1 312.292 -1.017 20 0 DAADMO C[N@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1CO ZINC000931413513 663994128 /nfs/dbraw/zinc/99/41/28/663994128.db2.gz YCHKHSVXTUJSDY-MRVPVSSYSA-N 1 1 312.292 -1.017 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931411789 663994140 /nfs/dbraw/zinc/99/41/40/663994140.db2.gz BZXFYCXRILYPQR-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931411789 663994144 /nfs/dbraw/zinc/99/41/44/663994144.db2.gz BZXFYCXRILYPQR-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CN1CCN(C(=O)C[N@H+](C)C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931488829 663994408 /nfs/dbraw/zinc/99/44/08/663994408.db2.gz WUJPGULYVGEFBI-HIFRSBDPSA-N 1 1 315.414 -1.405 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931488829 663994414 /nfs/dbraw/zinc/99/44/14/663994414.db2.gz WUJPGULYVGEFBI-HIFRSBDPSA-N 1 1 315.414 -1.405 20 0 DAADMO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000931665642 663994773 /nfs/dbraw/zinc/99/47/73/663994773.db2.gz BPTFWQIWUFHYHJ-SNVBAGLBSA-N 1 1 301.343 -1.688 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931645377 663995087 /nfs/dbraw/zinc/99/50/87/663995087.db2.gz KMSKFPRRKDQWJA-SNVBAGLBSA-N 1 1 304.343 -1.279 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931645377 663995092 /nfs/dbraw/zinc/99/50/92/663995092.db2.gz KMSKFPRRKDQWJA-SNVBAGLBSA-N 1 1 304.343 -1.279 20 0 DAADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)cn1 ZINC000931878633 663996518 /nfs/dbraw/zinc/99/65/18/663996518.db2.gz RERLGXYJMYWAKM-LBPRGKRZSA-N 1 1 320.397 -1.111 20 0 DAADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CC2)cn1 ZINC000931878633 663996522 /nfs/dbraw/zinc/99/65/22/663996522.db2.gz RERLGXYJMYWAKM-LBPRGKRZSA-N 1 1 320.397 -1.111 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000931880441 663996562 /nfs/dbraw/zinc/99/65/62/663996562.db2.gz CVAMNUYBZICVLC-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000931880441 663996565 /nfs/dbraw/zinc/99/65/65/663996565.db2.gz CVAMNUYBZICVLC-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931879258 663996762 /nfs/dbraw/zinc/99/67/62/663996762.db2.gz WUJGMZVUNSTBMG-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000931885294 663997010 /nfs/dbraw/zinc/99/70/10/663997010.db2.gz NMRHXCFRWFXAJQ-QMMMGPOBSA-N 1 1 322.287 -1.003 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000931885294 663997012 /nfs/dbraw/zinc/99/70/12/663997012.db2.gz NMRHXCFRWFXAJQ-QMMMGPOBSA-N 1 1 322.287 -1.003 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000931885848 663997094 /nfs/dbraw/zinc/99/70/94/663997094.db2.gz LXMWMRNRPDLIOQ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000931885848 663997097 /nfs/dbraw/zinc/99/70/97/663997097.db2.gz LXMWMRNRPDLIOQ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000931888748 663997255 /nfs/dbraw/zinc/99/72/55/663997255.db2.gz RHIHPYWDAURQRZ-CWKPULSASA-N 1 1 317.415 -1.458 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000931888748 663997258 /nfs/dbraw/zinc/99/72/58/663997258.db2.gz RHIHPYWDAURQRZ-CWKPULSASA-N 1 1 317.415 -1.458 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931887957 663997437 /nfs/dbraw/zinc/99/74/37/663997437.db2.gz ZTRZBIPCHCCPTI-LLVKDONJSA-N 1 1 321.385 -1.716 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931887957 663997440 /nfs/dbraw/zinc/99/74/40/663997440.db2.gz ZTRZBIPCHCCPTI-LLVKDONJSA-N 1 1 321.385 -1.716 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000931888747 663997444 /nfs/dbraw/zinc/99/74/44/663997444.db2.gz RHIHPYWDAURQRZ-CHNSCGDPSA-N 1 1 317.415 -1.458 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000931888747 663997447 /nfs/dbraw/zinc/99/74/47/663997447.db2.gz RHIHPYWDAURQRZ-CHNSCGDPSA-N 1 1 317.415 -1.458 20 0 DAADMO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931905421 663997479 /nfs/dbraw/zinc/99/74/79/663997479.db2.gz GHXNVWWCICPXPP-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000931886906 663997722 /nfs/dbraw/zinc/99/77/22/663997722.db2.gz QNMMAOVPZBLMHX-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000931886906 663997726 /nfs/dbraw/zinc/99/77/26/663997726.db2.gz QNMMAOVPZBLMHX-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000931885847 663997769 /nfs/dbraw/zinc/99/77/69/663997769.db2.gz LXMWMRNRPDLIOQ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000931885847 663997770 /nfs/dbraw/zinc/99/77/70/663997770.db2.gz LXMWMRNRPDLIOQ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931898074 663997776 /nfs/dbraw/zinc/99/77/76/663997776.db2.gz XCKZHQGHYRALTI-JTQLQIEISA-N 1 1 303.384 -1.546 20 0 DAADMO CN1CC[C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931885018 663997784 /nfs/dbraw/zinc/99/77/84/663997784.db2.gz BRQYQPPAZOSRHN-KBPBESRZSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932073271 663997794 /nfs/dbraw/zinc/99/77/94/663997794.db2.gz YFYNUPSPACUUOS-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932073271 663997796 /nfs/dbraw/zinc/99/77/96/663997796.db2.gz YFYNUPSPACUUOS-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO COC1(C(=O)N(CCN(C)C)CC[NH+](C)C)CS(=O)(=O)C1 ZINC000932034543 663997809 /nfs/dbraw/zinc/99/78/09/663997809.db2.gz KZBQLXYVWILEJI-UHFFFAOYSA-N 1 1 321.443 -1.248 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000932124054 663998451 /nfs/dbraw/zinc/99/84/51/663998451.db2.gz SBHUWGONGUBQQS-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932297924 663998780 /nfs/dbraw/zinc/99/87/80/663998780.db2.gz FTEXZIVCUDXNTJ-MNOVXSKESA-N 1 1 315.395 -1.500 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932297924 663998783 /nfs/dbraw/zinc/99/87/83/663998783.db2.gz FTEXZIVCUDXNTJ-MNOVXSKESA-N 1 1 315.395 -1.500 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000932124062 663998840 /nfs/dbraw/zinc/99/88/40/663998840.db2.gz SBHUWGONGUBQQS-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932547595 663999119 /nfs/dbraw/zinc/99/91/19/663999119.db2.gz OZOBHOGHDWBTKO-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932553774 663999493 /nfs/dbraw/zinc/99/94/93/663999493.db2.gz RCBRLPMSCCYQMN-MNOVXSKESA-N 1 1 315.395 -1.405 20 0 DAADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932553774 663999497 /nfs/dbraw/zinc/99/94/97/663999497.db2.gz RCBRLPMSCCYQMN-MNOVXSKESA-N 1 1 315.395 -1.405 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964652 663999920 /nfs/dbraw/zinc/99/99/20/663999920.db2.gz UAVOFBWRQAFUDN-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964652 663999922 /nfs/dbraw/zinc/99/99/22/663999922.db2.gz UAVOFBWRQAFUDN-QWRGUYRKSA-N 1 1 305.400 -1.156 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932950612 664000088 /nfs/dbraw/zinc/00/00/88/664000088.db2.gz REHSLNTXJCEZBY-GFCCVEGCSA-N 1 1 318.443 -1.239 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932950614 664000350 /nfs/dbraw/zinc/00/03/50/664000350.db2.gz REHSLNTXJCEZBY-LBPRGKRZSA-N 1 1 318.443 -1.239 20 0 DAADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000933294513 664000826 /nfs/dbraw/zinc/00/08/26/664000826.db2.gz QDBXBHLIGDBXMU-RYUDHWBXSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933435176 664000873 /nfs/dbraw/zinc/00/08/73/664000873.db2.gz OFHCXTCSAABJJO-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933101969 664000921 /nfs/dbraw/zinc/00/09/21/664000921.db2.gz AQJWOYVYYCGRBO-NEPJUHHUSA-N 1 1 307.416 -1.146 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933101969 664000924 /nfs/dbraw/zinc/00/09/24/664000924.db2.gz AQJWOYVYYCGRBO-NEPJUHHUSA-N 1 1 307.416 -1.146 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933435181 664000930 /nfs/dbraw/zinc/00/09/30/664000930.db2.gz OFHCXTCSAABJJO-TUAOUCFPSA-N 1 1 323.401 -1.024 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@H](O)C3(O)CCCC3)CCN21 ZINC000933094055 664001006 /nfs/dbraw/zinc/00/10/06/664001006.db2.gz RPQZEDPOYFNRKB-QWRGUYRKSA-N 1 1 305.400 -1.513 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@H](O)C3(O)CCCC3)CCN21 ZINC000933094055 664001011 /nfs/dbraw/zinc/00/10/11/664001011.db2.gz RPQZEDPOYFNRKB-QWRGUYRKSA-N 1 1 305.400 -1.513 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000933167830 664001196 /nfs/dbraw/zinc/00/11/96/664001196.db2.gz VCVFCMQGKBUWMP-MNOVXSKESA-N 1 1 320.397 -1.001 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCc2nnn(C)c2C1 ZINC000933167830 664001197 /nfs/dbraw/zinc/00/11/97/664001197.db2.gz VCVFCMQGKBUWMP-MNOVXSKESA-N 1 1 320.397 -1.001 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933725835 664001636 /nfs/dbraw/zinc/00/16/36/664001636.db2.gz HIRVYKGCLMGIPU-PHIMTYICSA-N 1 1 318.395 -1.016 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)C1 ZINC000933850343 664001784 /nfs/dbraw/zinc/00/17/84/664001784.db2.gz FTYHOALHLLHKCI-VXGBXAGGSA-N 1 1 313.398 -1.354 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000933894456 664002094 /nfs/dbraw/zinc/00/20/94/664002094.db2.gz KILLGASTNRGOKH-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1nnnc1CCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000933864610 664002227 /nfs/dbraw/zinc/00/22/27/664002227.db2.gz CMEIMUSQCBEQRO-UHFFFAOYSA-N 1 1 323.401 -1.189 20 0 DAADMO Cn1nnnc1CCCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000933864610 664002232 /nfs/dbraw/zinc/00/22/32/664002232.db2.gz CMEIMUSQCBEQRO-UHFFFAOYSA-N 1 1 323.401 -1.189 20 0 DAADMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574678 664003816 /nfs/dbraw/zinc/00/38/16/664003816.db2.gz KZJSBAILGCVIKA-LSJOCFKGSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574678 664003820 /nfs/dbraw/zinc/00/38/20/664003820.db2.gz KZJSBAILGCVIKA-LSJOCFKGSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000935189674 664004191 /nfs/dbraw/zinc/00/41/91/664004191.db2.gz LIZDLBYPMHDAGK-GMTAPVOTSA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000935189678 664004509 /nfs/dbraw/zinc/00/45/09/664004509.db2.gz LIZDLBYPMHDAGK-MXWKQRLJSA-N 1 1 309.374 -1.271 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000935429790 664005284 /nfs/dbraw/zinc/00/52/84/664005284.db2.gz FSJBRLINRQMPCE-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000935844111 664005969 /nfs/dbraw/zinc/00/59/69/664005969.db2.gz ZZWHAOGFAWHLCF-KBPBESRZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000935805315 664006032 /nfs/dbraw/zinc/00/60/32/664006032.db2.gz LHGINQHESKXLPW-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935963438 664006237 /nfs/dbraw/zinc/00/62/37/664006237.db2.gz JCGQCEFQBOSNCA-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000935805316 664006289 /nfs/dbraw/zinc/00/62/89/664006289.db2.gz LHGINQHESKXLPW-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC(N)=O ZINC000947408698 664007628 /nfs/dbraw/zinc/00/76/28/664007628.db2.gz IDBGLGNNERBRPO-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1CC(N)=O ZINC000947408698 664007633 /nfs/dbraw/zinc/00/76/33/664007633.db2.gz IDBGLGNNERBRPO-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000947398782 664007724 /nfs/dbraw/zinc/00/77/24/664007724.db2.gz IHSILAFQFULVKI-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000947678976 664009963 /nfs/dbraw/zinc/00/99/63/664009963.db2.gz CVIIGAVNNNGQST-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC000947821622 664010773 /nfs/dbraw/zinc/01/07/73/664010773.db2.gz XKOOCBRAUOULMV-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC000947821622 664010778 /nfs/dbraw/zinc/01/07/78/664010778.db2.gz XKOOCBRAUOULMV-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC000947930997 664011545 /nfs/dbraw/zinc/01/15/45/664011545.db2.gz XYBDVHCMNXGRLA-UWVGGRQHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC000947930996 664011621 /nfs/dbraw/zinc/01/16/21/664011621.db2.gz XYBDVHCMNXGRLA-NXEZZACHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000947964932 664012191 /nfs/dbraw/zinc/01/21/91/664012191.db2.gz LMYZSLCRGHTFIT-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000948059511 664013786 /nfs/dbraw/zinc/01/37/86/664013786.db2.gz DWBOFIFRZZAYQD-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C(=O)N1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000948084214 664014832 /nfs/dbraw/zinc/01/48/32/664014832.db2.gz RHXYRTGAFJPUON-NEPJUHHUSA-N 1 1 324.381 -1.558 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948377137 664016213 /nfs/dbraw/zinc/01/62/13/664016213.db2.gz HKVWNQMSINXJPY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948377141 664016527 /nfs/dbraw/zinc/01/65/27/664016527.db2.gz HKVWNQMSINXJPY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948565313 664019544 /nfs/dbraw/zinc/01/95/44/664019544.db2.gz BWHFKJDDWMAVSV-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC000948732363 664020060 /nfs/dbraw/zinc/02/00/60/664020060.db2.gz CGUPIUMNXVZOMV-JTQLQIEISA-N 1 1 305.400 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000948732363 664020066 /nfs/dbraw/zinc/02/00/66/664020066.db2.gz CGUPIUMNXVZOMV-JTQLQIEISA-N 1 1 305.400 -1.171 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948673822 664020315 /nfs/dbraw/zinc/02/03/15/664020315.db2.gz JTQKHJAZHYFDFS-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948673821 664020549 /nfs/dbraw/zinc/02/05/49/664020549.db2.gz JTQKHJAZHYFDFS-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000948737325 664021484 /nfs/dbraw/zinc/02/14/84/664021484.db2.gz IBBDQAYVQYCDJE-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cnnn1 ZINC000949143197 664028728 /nfs/dbraw/zinc/02/87/28/664028728.db2.gz IOGLEPSOWPNOPL-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 ZINC000949191317 664030650 /nfs/dbraw/zinc/03/06/50/664030650.db2.gz JNIPHYIZTFKFAS-MNOVXSKESA-N 1 1 324.381 -1.714 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238022 664030913 /nfs/dbraw/zinc/03/09/13/664030913.db2.gz FTQYWGDRXQCQSN-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238022 664030917 /nfs/dbraw/zinc/03/09/17/664030917.db2.gz FTQYWGDRXQCQSN-OLZOCXBDSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238975 664031214 /nfs/dbraw/zinc/03/12/14/664031214.db2.gz OUDRVEGYLGXAHP-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000949238975 664031218 /nfs/dbraw/zinc/03/12/18/664031218.db2.gz OUDRVEGYLGXAHP-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239195 664031260 /nfs/dbraw/zinc/03/12/60/664031260.db2.gz QJYUXNTTYCAXLA-NXEZZACHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239195 664031265 /nfs/dbraw/zinc/03/12/65/664031265.db2.gz QJYUXNTTYCAXLA-NXEZZACHSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239323 664031271 /nfs/dbraw/zinc/03/12/71/664031271.db2.gz QTNWJJKRLDZKMU-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239323 664031273 /nfs/dbraw/zinc/03/12/73/664031273.db2.gz QTNWJJKRLDZKMU-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)Cn1cncn1)CCO2 ZINC000949241630 664031394 /nfs/dbraw/zinc/03/13/94/664031394.db2.gz IRYPMAORQWNRAV-UHFFFAOYSA-N 1 1 322.369 -1.543 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238567 664031506 /nfs/dbraw/zinc/03/15/06/664031506.db2.gz JOWVBRBAHPXRPH-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238567 664031509 /nfs/dbraw/zinc/03/15/09/664031509.db2.gz JOWVBRBAHPXRPH-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949242331 664031799 /nfs/dbraw/zinc/03/17/99/664031799.db2.gz BOIUAJARRCMHMP-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949242331 664031801 /nfs/dbraw/zinc/03/18/01/664031801.db2.gz BOIUAJARRCMHMP-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238025 664032098 /nfs/dbraw/zinc/03/20/98/664032098.db2.gz FTQYWGDRXQCQSN-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238025 664032099 /nfs/dbraw/zinc/03/20/99/664032099.db2.gz FTQYWGDRXQCQSN-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238778 664032154 /nfs/dbraw/zinc/03/21/54/664032154.db2.gz MJFCIYXPRNZCCF-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238778 664032156 /nfs/dbraw/zinc/03/21/56/664032156.db2.gz MJFCIYXPRNZCCF-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239326 664032191 /nfs/dbraw/zinc/03/21/91/664032191.db2.gz QTNWJJKRLDZKMU-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239326 664032199 /nfs/dbraw/zinc/03/21/99/664032199.db2.gz QTNWJJKRLDZKMU-ONGXEEELSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240240 664032451 /nfs/dbraw/zinc/03/24/51/664032451.db2.gz ZYLPFBPBLSQDQD-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240240 664032455 /nfs/dbraw/zinc/03/24/55/664032455.db2.gz ZYLPFBPBLSQDQD-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239197 664032480 /nfs/dbraw/zinc/03/24/80/664032480.db2.gz QJYUXNTTYCAXLA-VHSXEESVSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000949239197 664032484 /nfs/dbraw/zinc/03/24/84/664032484.db2.gz QJYUXNTTYCAXLA-VHSXEESVSA-N 1 1 308.342 -1.534 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000949303006 664033084 /nfs/dbraw/zinc/03/30/84/664033084.db2.gz AXLRKXGFSOPMKP-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380040 664033672 /nfs/dbraw/zinc/03/36/72/664033672.db2.gz AREZAIMEXOZGJV-UYJPIKCFSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380039 664033684 /nfs/dbraw/zinc/03/36/84/664033684.db2.gz AREZAIMEXOZGJV-MFOWVQHXSA-N 1 1 322.409 -1.260 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949454989 664036523 /nfs/dbraw/zinc/03/65/23/664036523.db2.gz QDPGVMZQINMTGG-NSHDSACASA-N 1 1 312.370 -1.647 20 0 DAADMO NC(=O)C1(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)CC1 ZINC000949455132 664036608 /nfs/dbraw/zinc/03/66/08/664036608.db2.gz STAYGQHSLXGKDL-UHFFFAOYSA-N 1 1 311.382 -1.062 20 0 DAADMO O=C(Cn1cncn1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949523012 664037921 /nfs/dbraw/zinc/03/79/21/664037921.db2.gz BUPRGBZUPSXHDJ-UHFFFAOYSA-N 1 1 309.370 -1.036 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000949718543 664043054 /nfs/dbraw/zinc/04/30/54/664043054.db2.gz PJFAPBMAQYRFIX-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000949718543 664043059 /nfs/dbraw/zinc/04/30/59/664043059.db2.gz PJFAPBMAQYRFIX-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000949718545 664043392 /nfs/dbraw/zinc/04/33/92/664043392.db2.gz PJFAPBMAQYRFIX-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000949718545 664043395 /nfs/dbraw/zinc/04/33/95/664043395.db2.gz PJFAPBMAQYRFIX-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000949947824 664048863 /nfs/dbraw/zinc/04/88/63/664048863.db2.gz KQYIPONBSLFQPX-NEPJUHHUSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000950081176 664050637 /nfs/dbraw/zinc/05/06/37/664050637.db2.gz ZNKJIOITBUOQLY-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000950077202 664050654 /nfs/dbraw/zinc/05/06/54/664050654.db2.gz MXCFCWGPVDFKII-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000950077675 664051113 /nfs/dbraw/zinc/05/11/13/664051113.db2.gz TYDOQZUQSOIPRL-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000950076576 664051145 /nfs/dbraw/zinc/05/11/45/664051145.db2.gz GATNZKLRQLGQBN-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000950081174 664051160 /nfs/dbraw/zinc/05/11/60/664051160.db2.gz ZNKJIOITBUOQLY-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)CC[N@H+]1C ZINC000950246078 664053402 /nfs/dbraw/zinc/05/34/02/664053402.db2.gz QCLBTRBLANLYSQ-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(CC(N)=O)C1 ZINC000950381203 664055572 /nfs/dbraw/zinc/05/55/72/664055572.db2.gz MMHOBEXUBPZEMM-AAEUAGOBSA-N 1 1 310.398 -1.132 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(CC(N)=O)C1 ZINC000950381204 664055609 /nfs/dbraw/zinc/05/56/09/664055609.db2.gz MMHOBEXUBPZEMM-DGCLKSJQSA-N 1 1 310.398 -1.132 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)O1 ZINC000950782735 664063032 /nfs/dbraw/zinc/06/30/32/664063032.db2.gz IEJKXWFWWTYFKT-CKYFFXLPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)O1 ZINC000950782735 664063035 /nfs/dbraw/zinc/06/30/35/664063035.db2.gz IEJKXWFWWTYFKT-CKYFFXLPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)C(N)=O)no1 ZINC000950874208 664063606 /nfs/dbraw/zinc/06/36/06/664063606.db2.gz HMQLQAULZCFDLF-QMMMGPOBSA-N 1 1 309.326 -1.448 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000950862990 664063872 /nfs/dbraw/zinc/06/38/72/664063872.db2.gz OTVYWDGGIJIJRK-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000950906602 664065095 /nfs/dbraw/zinc/06/50/95/664065095.db2.gz QGHYFMSETFWKPO-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000951165347 664071425 /nfs/dbraw/zinc/07/14/25/664071425.db2.gz DWQDBNGFEPTIAL-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1CC[NH+](CCCO)CC1 ZINC000951166532 664071629 /nfs/dbraw/zinc/07/16/29/664071629.db2.gz OSZGCFHGFBUCGD-UHFFFAOYSA-N 1 1 320.353 -1.582 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310317 664075262 /nfs/dbraw/zinc/07/52/62/664075262.db2.gz QXWKKUCJRACLTA-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310317 664075266 /nfs/dbraw/zinc/07/52/66/664075266.db2.gz QXWKKUCJRACLTA-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951361938 664075527 /nfs/dbraw/zinc/07/55/27/664075527.db2.gz DWZRIFOULNZWBO-WWALYXLFSA-N 1 1 322.365 -1.948 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000951361939 664075794 /nfs/dbraw/zinc/07/57/94/664075794.db2.gz DWZRIFOULNZWBO-YJVGMPMCSA-N 1 1 322.365 -1.948 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000951441313 664077889 /nfs/dbraw/zinc/07/78/89/664077889.db2.gz AOROBIVQMAEFGS-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000951441313 664077895 /nfs/dbraw/zinc/07/78/95/664077895.db2.gz AOROBIVQMAEFGS-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000951620303 664087523 /nfs/dbraw/zinc/08/75/23/664087523.db2.gz FPXGNLXGXICVQS-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000951620303 664087530 /nfs/dbraw/zinc/08/75/30/664087530.db2.gz FPXGNLXGXICVQS-VHSXEESVSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000951620756 664088204 /nfs/dbraw/zinc/08/82/04/664088204.db2.gz OUJSEHRAZDJJAE-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000951623440 664088648 /nfs/dbraw/zinc/08/86/48/664088648.db2.gz YZLWWLHAJSMGKN-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(N1CC[NH+](CCCO)CC1)C1(n2cnnn2)CCOCC1 ZINC000951635582 664089830 /nfs/dbraw/zinc/08/98/30/664089830.db2.gz AFMDQYHCIYJRMU-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636389 664089852 /nfs/dbraw/zinc/08/98/52/664089852.db2.gz WQRVACDEKGUHMS-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000951636389 664089855 /nfs/dbraw/zinc/08/98/55/664089855.db2.gz WQRVACDEKGUHMS-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649649 664090617 /nfs/dbraw/zinc/09/06/17/664090617.db2.gz WNPAQTDUDOIJMB-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649649 664090618 /nfs/dbraw/zinc/09/06/18/664090618.db2.gz WNPAQTDUDOIJMB-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO Cn1nnnc1CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951762738 664093337 /nfs/dbraw/zinc/09/33/37/664093337.db2.gz HKNXTHCZDSABGX-UHFFFAOYSA-N 1 1 323.401 -1.423 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)CC2 ZINC000951853269 664097484 /nfs/dbraw/zinc/09/74/84/664097484.db2.gz WSLOEANTJHLSSK-JQWIXIFHSA-N 1 1 319.365 -1.044 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858240 664098538 /nfs/dbraw/zinc/09/85/38/664098538.db2.gz JRABRQUGJOXUFP-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951858240 664098540 /nfs/dbraw/zinc/09/85/40/664098540.db2.gz JRABRQUGJOXUFP-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC000951874571 664100212 /nfs/dbraw/zinc/10/02/12/664100212.db2.gz NRHRPUNBBSTQJL-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001006483308 664104258 /nfs/dbraw/zinc/10/42/58/664104258.db2.gz UUCGMFUAZXOPQP-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1C[NH+](C[C@@H](C)O)C1 ZINC000952390296 664110058 /nfs/dbraw/zinc/11/00/58/664110058.db2.gz URQCRIKQAYCZTN-SNVBAGLBSA-N 1 1 324.381 -1.389 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952589164 664111337 /nfs/dbraw/zinc/11/13/37/664111337.db2.gz IYKIDKNTQZZDEG-WOPDTQHZSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952589164 664111339 /nfs/dbraw/zinc/11/13/39/664111339.db2.gz IYKIDKNTQZZDEG-WOPDTQHZSA-N 1 1 324.381 -1.606 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953687920 664123392 /nfs/dbraw/zinc/12/33/92/664123392.db2.gz USLIPWADJWUEKI-ZYHUDNBSSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCN(C(=O)C(N)=O)CC1 ZINC000953834931 664126503 /nfs/dbraw/zinc/12/65/03/664126503.db2.gz WFHFUPULMWNCQD-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCN(C(=O)C(N)=O)CC1 ZINC000953834931 664126505 /nfs/dbraw/zinc/12/65/05/664126505.db2.gz WFHFUPULMWNCQD-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953890458 664127964 /nfs/dbraw/zinc/12/79/64/664127964.db2.gz NGZYTPJMCXOGFN-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953890458 664127968 /nfs/dbraw/zinc/12/79/68/664127968.db2.gz NGZYTPJMCXOGFN-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC000953897907 664128625 /nfs/dbraw/zinc/12/86/25/664128625.db2.gz BWSBOYPJRURPIO-NSHDSACASA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000953903103 664128765 /nfs/dbraw/zinc/12/87/65/664128765.db2.gz OQRFMSWZLYNCDM-MNOVXSKESA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CCn2cnnn2)C1 ZINC000953903681 664128943 /nfs/dbraw/zinc/12/89/43/664128943.db2.gz ZTKFGDKDESYPLX-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000953898353 664128988 /nfs/dbraw/zinc/12/89/88/664128988.db2.gz PETJMRQLPXLEIS-WDEREUQCSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC000953957947 664130300 /nfs/dbraw/zinc/13/03/00/664130300.db2.gz NFPJZLNYOSNKPF-NSHDSACASA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC000953957947 664130302 /nfs/dbraw/zinc/13/03/02/664130302.db2.gz NFPJZLNYOSNKPF-NSHDSACASA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2nccn2)C1 ZINC000953957752 664130551 /nfs/dbraw/zinc/13/05/51/664130551.db2.gz IEFUTUKFSGYZNA-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2nccn2)C1 ZINC000953957752 664130556 /nfs/dbraw/zinc/13/05/56/664130556.db2.gz IEFUTUKFSGYZNA-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953958192 664130851 /nfs/dbraw/zinc/13/08/51/664130851.db2.gz RHCMRUHVVYVRGV-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953958192 664130855 /nfs/dbraw/zinc/13/08/55/664130855.db2.gz RHCMRUHVVYVRGV-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953959286 664131039 /nfs/dbraw/zinc/13/10/39/664131039.db2.gz AXEWNBSSTVNQAP-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953959286 664131044 /nfs/dbraw/zinc/13/10/44/664131044.db2.gz AXEWNBSSTVNQAP-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954189448 664137778 /nfs/dbraw/zinc/13/77/78/664137778.db2.gz PSVPYSKYLXBBOG-QWRGUYRKSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954189446 664137913 /nfs/dbraw/zinc/13/79/13/664137913.db2.gz PSVPYSKYLXBBOG-GHMZBOCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954211291 664139952 /nfs/dbraw/zinc/13/99/52/664139952.db2.gz PFMVBRVOMBFLBB-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954211291 664139954 /nfs/dbraw/zinc/13/99/54/664139954.db2.gz PFMVBRVOMBFLBB-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1ncn(C)n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954211915 664140041 /nfs/dbraw/zinc/14/00/41/664140041.db2.gz QXSXPYIRLHDUMT-LLVKDONJSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1ncn(C)n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954211915 664140043 /nfs/dbraw/zinc/14/00/43/664140043.db2.gz QXSXPYIRLHDUMT-LLVKDONJSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954315529 664142549 /nfs/dbraw/zinc/14/25/49/664142549.db2.gz GTJBFSKPCGXAAN-MWLCHTKSSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000954321703 664142753 /nfs/dbraw/zinc/14/27/53/664142753.db2.gz SILMXSALOZAOHQ-JLLWLGSASA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CCn2cnnn2)C1 ZINC000954317624 664142773 /nfs/dbraw/zinc/14/27/73/664142773.db2.gz LYLNHYRMXILZAM-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954315507 664143240 /nfs/dbraw/zinc/14/32/40/664143240.db2.gz GNEZQXAJXPYXHK-JTQLQIEISA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000954324675 664143641 /nfs/dbraw/zinc/14/36/41/664143641.db2.gz WLXNNDZDDJVCSW-CMPLNLGQSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000954324122 664143729 /nfs/dbraw/zinc/14/37/29/664143729.db2.gz SUECDHNCOKXWBS-PWSUYJOCSA-N 1 1 323.397 -1.369 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954326748 664143803 /nfs/dbraw/zinc/14/38/03/664143803.db2.gz OJXXDTJNVVFHMU-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)C(N)=O)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000954342329 664143818 /nfs/dbraw/zinc/14/38/18/664143818.db2.gz KPLBPPPLQVBMJR-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000954342329 664143820 /nfs/dbraw/zinc/14/38/20/664143820.db2.gz KPLBPPPLQVBMJR-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954347820 664144845 /nfs/dbraw/zinc/14/48/45/664144845.db2.gz MUKKEYXPGKERNH-UHFFFAOYSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954355965 664145735 /nfs/dbraw/zinc/14/57/35/664145735.db2.gz QTJOYRBCJZNKEW-SNVBAGLBSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954355962 664145887 /nfs/dbraw/zinc/14/58/87/664145887.db2.gz QTJOYRBCJZNKEW-JTQLQIEISA-N 1 1 307.358 -1.706 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954356434 664146063 /nfs/dbraw/zinc/14/60/63/664146063.db2.gz VAEOBGYTJGIABH-JQWIXIFHSA-N 1 1 321.385 -1.460 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000954408168 664147307 /nfs/dbraw/zinc/14/73/07/664147307.db2.gz AJLAMGYDLWJIJQ-MWLCHTKSSA-N 1 1 321.385 -1.167 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954472946 664148717 /nfs/dbraw/zinc/14/87/17/664148717.db2.gz MDOBDYWQECZBSM-GXSJLCMTSA-N 1 1 310.354 -1.996 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)CC(N)=O)C1 ZINC000954472556 664148878 /nfs/dbraw/zinc/14/88/78/664148878.db2.gz HNQFUMMCXFZQPV-ZYHUDNBSSA-N 1 1 324.381 -1.606 20 0 DAADMO CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CN(C(=O)C(N)=O)C1 ZINC000954512897 664149425 /nfs/dbraw/zinc/14/94/25/664149425.db2.gz QTFARZVERSVTOE-SNVBAGLBSA-N 1 1 305.338 -1.085 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2ncnn2)n1 ZINC001037007491 664150031 /nfs/dbraw/zinc/15/00/31/664150031.db2.gz IDRVDJLEOKYYKV-NXEZZACHSA-N 1 1 320.361 -1.729 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)O1 ZINC000954646804 664152836 /nfs/dbraw/zinc/15/28/36/664152836.db2.gz ODEVNKNBHVQWPT-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)O1 ZINC000954646804 664152842 /nfs/dbraw/zinc/15/28/42/664152842.db2.gz ODEVNKNBHVQWPT-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954706080 664154647 /nfs/dbraw/zinc/15/46/47/664154647.db2.gz IFPWKJIFRHYCMA-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954797361 664157505 /nfs/dbraw/zinc/15/75/05/664157505.db2.gz CWZNWPVCOMMMSX-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954794195 664157531 /nfs/dbraw/zinc/15/75/31/664157531.db2.gz AJNRBSOBSZXFJZ-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000954841381 664158343 /nfs/dbraw/zinc/15/83/43/664158343.db2.gz XUMVPSPIKPYAKD-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954962155 664163291 /nfs/dbraw/zinc/16/32/91/664163291.db2.gz SPMCKCSCVPREQP-CMPLNLGQSA-N 1 1 323.397 -1.369 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1 ZINC000955017276 664165453 /nfs/dbraw/zinc/16/54/53/664165453.db2.gz PLTCUIHEOFDVAF-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)C1 ZINC000955017276 664165456 /nfs/dbraw/zinc/16/54/56/664165456.db2.gz PLTCUIHEOFDVAF-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955043380 664168634 /nfs/dbraw/zinc/16/86/34/664168634.db2.gz ZSVJOVQQCVOWQQ-RFQIPJPRSA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955043380 664168637 /nfs/dbraw/zinc/16/86/37/664168637.db2.gz ZSVJOVQQCVOWQQ-RFQIPJPRSA-N 1 1 323.393 -1.121 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955153525 664174709 /nfs/dbraw/zinc/17/47/09/664174709.db2.gz LIRBUFPQEWNQMG-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955154637 664175087 /nfs/dbraw/zinc/17/50/87/664175087.db2.gz WYAIOTQPPGHITP-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955155011 664175411 /nfs/dbraw/zinc/17/54/11/664175411.db2.gz ZQRKTODPJJKYFR-ONGXEEELSA-N 1 1 309.370 -1.711 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)CC2 ZINC000955158328 664175784 /nfs/dbraw/zinc/17/57/84/664175784.db2.gz MTIUNCHTZUFDTH-JTQLQIEISA-N 1 1 319.365 -1.092 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)C2 ZINC000955162785 664177933 /nfs/dbraw/zinc/17/79/33/664177933.db2.gz XHCVBMSXJPOGOX-SNVBAGLBSA-N 1 1 319.365 -1.092 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC000955163812 664178749 /nfs/dbraw/zinc/17/87/49/664178749.db2.gz NHMLSYXRTKSPHH-NSHDSACASA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955337217 664181718 /nfs/dbraw/zinc/18/17/18/664181718.db2.gz IMWZNSWHWQKASL-LLVKDONJSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955340553 664181798 /nfs/dbraw/zinc/18/17/98/664181798.db2.gz PDEUJBHTIUJIEZ-LLVKDONJSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000955345153 664182056 /nfs/dbraw/zinc/18/20/56/664182056.db2.gz SQBUFFHPXHSHNF-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000955345127 664182177 /nfs/dbraw/zinc/18/21/77/664182177.db2.gz RUNVBEXDDGHQSR-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955350222 664182938 /nfs/dbraw/zinc/18/29/38/664182938.db2.gz RKSAJTJRAYKDRE-PWSUYJOCSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955350981 664183156 /nfs/dbraw/zinc/18/31/56/664183156.db2.gz QFTRUPHCBKIKIB-WCQGTBRESA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2nnn(C)n2)n1 ZINC001037059247 664185681 /nfs/dbraw/zinc/18/56/81/664185681.db2.gz WAROUCMFCUSSKT-BDAKNGLRSA-N 1 1 320.361 -1.578 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC000955880719 664190146 /nfs/dbraw/zinc/19/01/46/664190146.db2.gz GJVIEDDHVRBRFX-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cn2cnnn2)C1 ZINC000955880423 664190436 /nfs/dbraw/zinc/19/04/36/664190436.db2.gz BFOKTIZDBKHICN-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000955935041 664191245 /nfs/dbraw/zinc/19/12/45/664191245.db2.gz PLZLABIPRMWHES-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000955935041 664191248 /nfs/dbraw/zinc/19/12/48/664191248.db2.gz PLZLABIPRMWHES-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC000956188487 664196891 /nfs/dbraw/zinc/19/68/91/664196891.db2.gz LKWFZMBIJQXLHF-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC000956188487 664196895 /nfs/dbraw/zinc/19/68/95/664196895.db2.gz LKWFZMBIJQXLHF-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038653025 664198053 /nfs/dbraw/zinc/19/80/53/664198053.db2.gz VSLZGIHBRFEAMG-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000956946379 664204402 /nfs/dbraw/zinc/20/44/02/664204402.db2.gz ICASVRJMAWTIEN-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000956938521 664204623 /nfs/dbraw/zinc/20/46/23/664204623.db2.gz YQCHYGITGDMYBS-BBRMVZONSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020506 664205172 /nfs/dbraw/zinc/20/51/72/664205172.db2.gz ZKNGECYCXKGZBG-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020506 664205176 /nfs/dbraw/zinc/20/51/76/664205176.db2.gz ZKNGECYCXKGZBG-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017355997 664210310 /nfs/dbraw/zinc/21/03/10/664210310.db2.gz AVDRAPMIDLOZSL-NSHDSACASA-N 1 1 310.354 -1.923 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017355997 664210314 /nfs/dbraw/zinc/21/03/14/664210314.db2.gz AVDRAPMIDLOZSL-NSHDSACASA-N 1 1 310.354 -1.923 20 0 DAADMO C[C@@]1(CC(=O)N2CC[NH+](CCCO)CC2)CCS(=O)(=O)N1 ZINC000957462116 664213462 /nfs/dbraw/zinc/21/34/62/664213462.db2.gz LOGDKOJGBRVHON-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO Cn1[nH]c(CN2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC000957646333 664216049 /nfs/dbraw/zinc/21/60/49/664216049.db2.gz CLJOOAILWHMQIC-LLVKDONJSA-N 1 1 308.386 -1.296 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000957721011 664217034 /nfs/dbraw/zinc/21/70/34/664217034.db2.gz SDSKAVULLKKPPO-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000957721011 664217038 /nfs/dbraw/zinc/21/70/38/664217038.db2.gz SDSKAVULLKKPPO-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC000957720850 664217065 /nfs/dbraw/zinc/21/70/65/664217065.db2.gz MDRKQSHQANPAII-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC000957720850 664217071 /nfs/dbraw/zinc/21/70/71/664217071.db2.gz MDRKQSHQANPAII-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC000957720851 664217277 /nfs/dbraw/zinc/21/72/77/664217277.db2.gz MDRKQSHQANPAII-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC000957720851 664217281 /nfs/dbraw/zinc/21/72/81/664217281.db2.gz MDRKQSHQANPAII-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000957688325 664217297 /nfs/dbraw/zinc/21/72/97/664217297.db2.gz NRACDVRBTUQAAI-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000957720739 664217446 /nfs/dbraw/zinc/21/74/46/664217446.db2.gz KDHVUJOUIKTZER-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000957720739 664217448 /nfs/dbraw/zinc/21/74/48/664217448.db2.gz KDHVUJOUIKTZER-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785736 664218001 /nfs/dbraw/zinc/21/80/01/664218001.db2.gz YVJUENWKDOSQCY-OLZOCXBDSA-N 1 1 311.382 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785736 664218004 /nfs/dbraw/zinc/21/80/04/664218004.db2.gz YVJUENWKDOSQCY-OLZOCXBDSA-N 1 1 311.382 -1.336 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC000957780410 664218049 /nfs/dbraw/zinc/21/80/49/664218049.db2.gz RCLGDRYMADHJKR-QWRGUYRKSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC000957780411 664218268 /nfs/dbraw/zinc/21/82/68/664218268.db2.gz RCLGDRYMADHJKR-WDEREUQCSA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@H](C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)OC ZINC000957776698 664218436 /nfs/dbraw/zinc/21/84/36/664218436.db2.gz PGKHOMVQUSWJQZ-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C1CC1 ZINC000957797540 664218813 /nfs/dbraw/zinc/21/88/13/664218813.db2.gz JFIUVFCHPJDJOP-RYUDHWBXSA-N 1 1 309.366 -1.046 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC000957797063 664218884 /nfs/dbraw/zinc/21/88/84/664218884.db2.gz BKXCAKYSSZAQSW-MNOVXSKESA-N 1 1 310.354 -1.643 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC000957797065 664219199 /nfs/dbraw/zinc/21/91/99/664219199.db2.gz BKXCAKYSSZAQSW-WDEREUQCSA-N 1 1 310.354 -1.643 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1)NC1CC1 ZINC000957835634 664219590 /nfs/dbraw/zinc/21/95/90/664219590.db2.gz ZPDWBWITUNGRNR-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1)NC1CC1 ZINC000957835634 664219597 /nfs/dbraw/zinc/21/95/97/664219597.db2.gz ZPDWBWITUNGRNR-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000957837165 664219747 /nfs/dbraw/zinc/21/97/47/664219747.db2.gz FFZNNSDRDZYRJB-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO Cc1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cn1 ZINC000957838456 664220199 /nfs/dbraw/zinc/22/01/99/664220199.db2.gz ODYGOKGGJMYSNM-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cn1 ZINC000957838456 664220201 /nfs/dbraw/zinc/22/02/01/664220201.db2.gz ODYGOKGGJMYSNM-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837873 664220377 /nfs/dbraw/zinc/22/03/77/664220377.db2.gz GBFAMUXOOOXGNG-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837873 664220379 /nfs/dbraw/zinc/22/03/79/664220379.db2.gz GBFAMUXOOOXGNG-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2snnc2C)[C@H](O)C1 ZINC000957863720 664221410 /nfs/dbraw/zinc/22/14/10/664221410.db2.gz NEURWZVCWDFJCT-RKDXNWHRSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2snnc2C)[C@H](O)C1 ZINC000957863720 664221414 /nfs/dbraw/zinc/22/14/14/664221414.db2.gz NEURWZVCWDFJCT-RKDXNWHRSA-N 1 1 313.383 -1.385 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878245 664221481 /nfs/dbraw/zinc/22/14/81/664221481.db2.gz JGFYKMMLJDRAJE-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC000957878245 664221482 /nfs/dbraw/zinc/22/14/82/664221482.db2.gz JGFYKMMLJDRAJE-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccn[nH]1 ZINC000957884062 664221512 /nfs/dbraw/zinc/22/15/12/664221512.db2.gz YVJPYZHTBSOWEZ-PWSUYJOCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccn[nH]1 ZINC000957884061 664221646 /nfs/dbraw/zinc/22/16/46/664221646.db2.gz YVJPYZHTBSOWEZ-JQWIXIFHSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccn[nH]1 ZINC000957884059 664221662 /nfs/dbraw/zinc/22/16/62/664221662.db2.gz YVJPYZHTBSOWEZ-CMPLNLGQSA-N 1 1 305.342 -1.276 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957889841 664222074 /nfs/dbraw/zinc/22/20/74/664222074.db2.gz DUEZSJDYJDHQQJ-WPRPVWTQSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnsn2)C1 ZINC000957889841 664222078 /nfs/dbraw/zinc/22/20/78/664222078.db2.gz DUEZSJDYJDHQQJ-WPRPVWTQSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnns1 ZINC000957886836 664222575 /nfs/dbraw/zinc/22/25/75/664222575.db2.gz OVLGXHJAZPQZEL-NXEZZACHSA-N 1 1 323.382 -1.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC000957893926 664222864 /nfs/dbraw/zinc/22/28/64/664222864.db2.gz GIPNYPOFHURPHD-ZYHUDNBSSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccon1 ZINC000957901466 664223340 /nfs/dbraw/zinc/22/33/40/664223340.db2.gz BWKBOVULZOXCNR-CMPLNLGQSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898730 664223579 /nfs/dbraw/zinc/22/35/79/664223579.db2.gz RACWYLXUALVOBQ-RYUDHWBXSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC000957898730 664223581 /nfs/dbraw/zinc/22/35/81/664223581.db2.gz RACWYLXUALVOBQ-RYUDHWBXSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895558 664223886 /nfs/dbraw/zinc/22/38/86/664223886.db2.gz YMESHGGDHJEGRE-JQWIXIFHSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895558 664223890 /nfs/dbraw/zinc/22/38/90/664223890.db2.gz YMESHGGDHJEGRE-JQWIXIFHSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC000957909721 664224207 /nfs/dbraw/zinc/22/42/07/664224207.db2.gz FEXMTLYUADETON-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC000957909721 664224208 /nfs/dbraw/zinc/22/42/08/664224208.db2.gz FEXMTLYUADETON-JQWIXIFHSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC000957909722 664224418 /nfs/dbraw/zinc/22/44/18/664224418.db2.gz FEXMTLYUADETON-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC000957909722 664224423 /nfs/dbraw/zinc/22/44/23/664224423.db2.gz FEXMTLYUADETON-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnns2)[C@H](O)C1 ZINC000957902389 664224578 /nfs/dbraw/zinc/22/45/78/664224578.db2.gz QKKYJAWRNAFNNJ-RKDXNWHRSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnns2)[C@H](O)C1 ZINC000957902389 664224582 /nfs/dbraw/zinc/22/45/82/664224582.db2.gz QKKYJAWRNAFNNJ-RKDXNWHRSA-N 1 1 313.383 -1.351 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC000957909720 664224709 /nfs/dbraw/zinc/22/47/09/664224709.db2.gz FEXMTLYUADETON-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC000957909720 664224713 /nfs/dbraw/zinc/22/47/13/664224713.db2.gz FEXMTLYUADETON-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000957919512 664225313 /nfs/dbraw/zinc/22/53/13/664225313.db2.gz SFQWADMMJCMPRO-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000957919512 664225315 /nfs/dbraw/zinc/22/53/15/664225315.db2.gz SFQWADMMJCMPRO-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC000957923100 664225342 /nfs/dbraw/zinc/22/53/42/664225342.db2.gz UCYAAUDAXHSYRJ-GHMZBOCLSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(F)c2)[C@H](O)C1 ZINC000957923100 664225344 /nfs/dbraw/zinc/22/53/44/664225344.db2.gz UCYAAUDAXHSYRJ-GHMZBOCLSA-N 1 1 310.329 -1.011 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC000957915049 664225365 /nfs/dbraw/zinc/22/53/65/664225365.db2.gz QDMMHHMRJKUEOF-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1C ZINC000957915049 664225367 /nfs/dbraw/zinc/22/53/67/664225367.db2.gz QDMMHHMRJKUEOF-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)c2ccnn2C)[C@H](O)C1 ZINC000957923327 664225650 /nfs/dbraw/zinc/22/56/50/664225650.db2.gz XJCOSCRRFSBJRF-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)c2ccnn2C)[C@H](O)C1 ZINC000957923327 664225653 /nfs/dbraw/zinc/22/56/53/664225653.db2.gz XJCOSCRRFSBJRF-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cocn1 ZINC000957929570 664225965 /nfs/dbraw/zinc/22/59/65/664225965.db2.gz AFBSWPKKVBGZOW-PWSUYJOCSA-N 1 1 306.326 -1.011 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC000957932747 664226154 /nfs/dbraw/zinc/22/61/54/664226154.db2.gz YEZCRVNVTMRQFU-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC000957932747 664226155 /nfs/dbraw/zinc/22/61/55/664226155.db2.gz YEZCRVNVTMRQFU-CMPLNLGQSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC000957932750 664226193 /nfs/dbraw/zinc/22/61/93/664226193.db2.gz YEZCRVNVTMRQFU-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC000957932750 664226194 /nfs/dbraw/zinc/22/61/94/664226194.db2.gz YEZCRVNVTMRQFU-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936534 664226333 /nfs/dbraw/zinc/22/63/33/664226333.db2.gz WOUYETRDPBMQOQ-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936534 664226341 /nfs/dbraw/zinc/22/63/41/664226341.db2.gz WOUYETRDPBMQOQ-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939736 664226409 /nfs/dbraw/zinc/22/64/09/664226409.db2.gz LZZPVOZWAKVELL-PWSUYJOCSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939736 664226412 /nfs/dbraw/zinc/22/64/12/664226412.db2.gz LZZPVOZWAKVELL-PWSUYJOCSA-N 1 1 322.365 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935111 664226933 /nfs/dbraw/zinc/22/69/33/664226933.db2.gz HGEFCBJCNAXWMM-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935111 664226939 /nfs/dbraw/zinc/22/69/39/664226939.db2.gz HGEFCBJCNAXWMM-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)cn1 ZINC000957930929 664226949 /nfs/dbraw/zinc/22/69/49/664226949.db2.gz IYKMEETXDYTMII-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)cn1 ZINC000957930929 664226956 /nfs/dbraw/zinc/22/69/56/664226956.db2.gz IYKMEETXDYTMII-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985147 664228320 /nfs/dbraw/zinc/22/83/20/664228320.db2.gz DXXTWIICVKZBRN-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985147 664228324 /nfs/dbraw/zinc/22/83/24/664228324.db2.gz DXXTWIICVKZBRN-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)c1 ZINC000957983223 664228330 /nfs/dbraw/zinc/22/83/30/664228330.db2.gz RPDAEMIGFWUEEX-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)c1 ZINC000957983223 664228335 /nfs/dbraw/zinc/22/83/35/664228335.db2.gz RPDAEMIGFWUEEX-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)ncn1 ZINC000957986166 664229071 /nfs/dbraw/zinc/22/90/71/664229071.db2.gz MZNUIKCDNOPIRJ-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)ncn1 ZINC000957986166 664229075 /nfs/dbraw/zinc/22/90/75/664229075.db2.gz MZNUIKCDNOPIRJ-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000957992555 664229196 /nfs/dbraw/zinc/22/91/96/664229196.db2.gz XRZAERHUIMOUIV-GXSJLCMTSA-N 1 1 308.338 -1.444 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)ncn1 ZINC000957986169 664229740 /nfs/dbraw/zinc/22/97/40/664229740.db2.gz MZNUIKCDNOPIRJ-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)ncn1 ZINC000957986169 664229742 /nfs/dbraw/zinc/22/97/42/664229742.db2.gz MZNUIKCDNOPIRJ-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](O)C1)N1CCC1 ZINC000957991572 664229773 /nfs/dbraw/zinc/22/97/73/664229773.db2.gz SZEOKJHRIFRLQW-ZIAGYGMSSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)C2=CCOCC2)[C@H](O)C1)N1CCC1 ZINC000957991572 664229774 /nfs/dbraw/zinc/22/97/74/664229774.db2.gz SZEOKJHRIFRLQW-ZIAGYGMSSA-N 1 1 323.393 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958015545 664230098 /nfs/dbraw/zinc/23/00/98/664230098.db2.gz LUBIDWDRPVYVKG-ZYHUDNBSSA-N 1 1 312.370 -2.380 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958015545 664230103 /nfs/dbraw/zinc/23/01/03/664230103.db2.gz LUBIDWDRPVYVKG-ZYHUDNBSSA-N 1 1 312.370 -2.380 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958019317 664230174 /nfs/dbraw/zinc/23/01/74/664230174.db2.gz AICFHLVYAKECST-QWRGUYRKSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958019317 664230177 /nfs/dbraw/zinc/23/01/77/664230177.db2.gz AICFHLVYAKECST-QWRGUYRKSA-N 1 1 309.370 -1.329 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1 ZINC000958000093 664230565 /nfs/dbraw/zinc/23/05/65/664230565.db2.gz SGVRCYNHNJZWPH-VXGBXAGGSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1 ZINC000958000093 664230567 /nfs/dbraw/zinc/23/05/67/664230567.db2.gz SGVRCYNHNJZWPH-VXGBXAGGSA-N 1 1 307.354 -1.413 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC000958019885 664230964 /nfs/dbraw/zinc/23/09/64/664230964.db2.gz GIFUAGXTMISONT-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958019805 664230981 /nfs/dbraw/zinc/23/09/81/664230981.db2.gz FTYJYTRVPXWDCD-CMPLNLGQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958019805 664230985 /nfs/dbraw/zinc/23/09/85/664230985.db2.gz FTYJYTRVPXWDCD-CMPLNLGQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958019978 664231007 /nfs/dbraw/zinc/23/10/07/664231007.db2.gz IKTYQSLNHAQXHB-MNOVXSKESA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958019978 664231011 /nfs/dbraw/zinc/23/10/11/664231011.db2.gz IKTYQSLNHAQXHB-MNOVXSKESA-N 1 1 322.369 -1.930 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958020413 664231108 /nfs/dbraw/zinc/23/11/08/664231108.db2.gz OVJKDSNPSQREQA-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958020413 664231111 /nfs/dbraw/zinc/23/11/11/664231111.db2.gz OVJKDSNPSQREQA-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC000958035158 664231842 /nfs/dbraw/zinc/23/18/42/664231842.db2.gz AEYSOTMVPNTMDX-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958030876 664232072 /nfs/dbraw/zinc/23/20/72/664232072.db2.gz MDPPDAWILSPQNH-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958030876 664232076 /nfs/dbraw/zinc/23/20/76/664232076.db2.gz MDPPDAWILSPQNH-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958025118 664232120 /nfs/dbraw/zinc/23/21/20/664232120.db2.gz NKNBEFFTQLZUEG-VXGBXAGGSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC000958035161 664232179 /nfs/dbraw/zinc/23/21/79/664232179.db2.gz AEYSOTMVPNTMDX-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958036457 664232444 /nfs/dbraw/zinc/23/24/44/664232444.db2.gz PWBJOCUIOKDGEX-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958036457 664232447 /nfs/dbraw/zinc/23/24/47/664232447.db2.gz PWBJOCUIOKDGEX-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035630 664232509 /nfs/dbraw/zinc/23/25/09/664232509.db2.gz IRFLFWVRPVBUKK-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958035630 664232514 /nfs/dbraw/zinc/23/25/14/664232514.db2.gz IRFLFWVRPVBUKK-GXSJLCMTSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036587 664233038 /nfs/dbraw/zinc/23/30/38/664233038.db2.gz RGGAGHBGOHQRQL-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036587 664233040 /nfs/dbraw/zinc/23/30/40/664233040.db2.gz RGGAGHBGOHQRQL-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036892 664233618 /nfs/dbraw/zinc/23/36/18/664233618.db2.gz WBCBLZVKJCAPRP-WCQYABFASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036892 664233621 /nfs/dbraw/zinc/23/36/21/664233621.db2.gz WBCBLZVKJCAPRP-WCQYABFASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC000958036690 664233692 /nfs/dbraw/zinc/23/36/92/664233692.db2.gz SKUYJEWJJBYLFJ-CMPLNLGQSA-N 1 1 320.357 -1.871 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958040561 664234065 /nfs/dbraw/zinc/23/40/65/664234065.db2.gz DMSURNXZJQTMSG-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958040561 664234067 /nfs/dbraw/zinc/23/40/67/664234067.db2.gz DMSURNXZJQTMSG-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958040595 664234323 /nfs/dbraw/zinc/23/43/23/664234323.db2.gz DTXHXYFXJNCMQA-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958040595 664234326 /nfs/dbraw/zinc/23/43/26/664234326.db2.gz DTXHXYFXJNCMQA-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062165 664234463 /nfs/dbraw/zinc/23/44/63/664234463.db2.gz DOUVDQBIYKKUDI-KOLCDFICSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062165 664234467 /nfs/dbraw/zinc/23/44/67/664234467.db2.gz DOUVDQBIYKKUDI-KOLCDFICSA-N 1 1 305.342 -1.239 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958061378 664234672 /nfs/dbraw/zinc/23/46/72/664234672.db2.gz AUQPMEHTKFUGAN-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC000958061378 664234676 /nfs/dbraw/zinc/23/46/76/664234676.db2.gz AUQPMEHTKFUGAN-WCQYABFASA-N 1 1 321.381 -1.104 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)nn1 ZINC000958061413 664234813 /nfs/dbraw/zinc/23/48/13/664234813.db2.gz BENVSLUBKAENSB-JQWIXIFHSA-N 1 1 315.349 -1.084 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)nn1 ZINC000958061413 664234815 /nfs/dbraw/zinc/23/48/15/664234815.db2.gz BENVSLUBKAENSB-JQWIXIFHSA-N 1 1 315.349 -1.084 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050749 664234900 /nfs/dbraw/zinc/23/49/00/664234900.db2.gz DLQIBXVXITYQPD-ONGXEEELSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050749 664234904 /nfs/dbraw/zinc/23/49/04/664234904.db2.gz DLQIBXVXITYQPD-ONGXEEELSA-N 1 1 307.354 -1.289 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)sn1 ZINC000958076871 664235765 /nfs/dbraw/zinc/23/57/65/664235765.db2.gz MGJHPKHGWYBNTH-SFYZADRCSA-N 1 1 314.367 -1.341 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)sn1 ZINC000958076871 664235767 /nfs/dbraw/zinc/23/57/67/664235767.db2.gz MGJHPKHGWYBNTH-SFYZADRCSA-N 1 1 314.367 -1.341 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076884 664236117 /nfs/dbraw/zinc/23/61/17/664236117.db2.gz MKHPKFRZLSGNBJ-ONGXEEELSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958076884 664236118 /nfs/dbraw/zinc/23/61/18/664236118.db2.gz MKHPKFRZLSGNBJ-ONGXEEELSA-N 1 1 307.354 -1.663 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958069546 664236143 /nfs/dbraw/zinc/23/61/43/664236143.db2.gz NZEXNKLBYQVMSY-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958069546 664236145 /nfs/dbraw/zinc/23/61/45/664236145.db2.gz NZEXNKLBYQVMSY-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958076832 664236159 /nfs/dbraw/zinc/23/61/59/664236159.db2.gz LOJDGIGGFAYMAA-ZJUUUORDSA-N 1 1 312.374 -1.557 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC000958073974 664236176 /nfs/dbraw/zinc/23/61/76/664236176.db2.gz OTAQRNLBXFVHKB-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(OC)ncn2)[C@H](O)C1 ZINC000958073974 664236177 /nfs/dbraw/zinc/23/61/77/664236177.db2.gz OTAQRNLBXFVHKB-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cncc2[nH]cnc21 ZINC000958082022 664236187 /nfs/dbraw/zinc/23/61/87/664236187.db2.gz UPQHIADTXDMCCO-BXKDBHETSA-N 1 1 305.338 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078123 664236231 /nfs/dbraw/zinc/23/62/31/664236231.db2.gz ZPZZCYWXJWMJEY-PWSUYJOCSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)CCC3)C1 ZINC000958078123 664236236 /nfs/dbraw/zinc/23/62/36/664236236.db2.gz ZPZZCYWXJWMJEY-PWSUYJOCSA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cccn2nnnc12 ZINC000958091446 664236565 /nfs/dbraw/zinc/23/65/65/664236565.db2.gz GXGAJYPFLWUMRF-CMPLNLGQSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958097381 664236598 /nfs/dbraw/zinc/23/65/98/664236598.db2.gz XVRIXEGPUSJAOZ-KOLCDFICSA-N 1 1 306.384 -2.178 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958097381 664236601 /nfs/dbraw/zinc/23/66/01/664236601.db2.gz XVRIXEGPUSJAOZ-KOLCDFICSA-N 1 1 306.384 -2.178 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(C(F)F)n2)[C@H](O)C1 ZINC000958097227 664236609 /nfs/dbraw/zinc/23/66/09/664236609.db2.gz VNVBBSHEGPBOPC-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(C(F)F)n2)[C@H](O)C1 ZINC000958097227 664236614 /nfs/dbraw/zinc/23/66/14/664236614.db2.gz VNVBBSHEGPBOPC-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958096115 664236777 /nfs/dbraw/zinc/23/67/77/664236777.db2.gz IEJQZIWQGDUARB-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958096115 664236781 /nfs/dbraw/zinc/23/67/81/664236781.db2.gz IEJQZIWQGDUARB-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958095896 664236906 /nfs/dbraw/zinc/23/69/06/664236906.db2.gz DEOFVPDQCCVWAX-PWSUYJOCSA-N 1 1 302.396 -1.150 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100520 664237046 /nfs/dbraw/zinc/23/70/46/664237046.db2.gz CAZQLUUFWCBBPK-WPRPVWTQSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100520 664237050 /nfs/dbraw/zinc/23/70/50/664237050.db2.gz CAZQLUUFWCBBPK-WPRPVWTQSA-N 1 1 318.337 -1.534 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958097380 664237071 /nfs/dbraw/zinc/23/70/71/664237071.db2.gz XVRIXEGPUSJAOZ-GXSJLCMTSA-N 1 1 306.384 -2.178 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958097380 664237073 /nfs/dbraw/zinc/23/70/73/664237073.db2.gz XVRIXEGPUSJAOZ-GXSJLCMTSA-N 1 1 306.384 -2.178 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090688 664237254 /nfs/dbraw/zinc/23/72/54/664237254.db2.gz BHTCXTFGOCHUOG-WCBMZHEXSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958090688 664237258 /nfs/dbraw/zinc/23/72/58/664237258.db2.gz BHTCXTFGOCHUOG-WCBMZHEXSA-N 1 1 319.325 -2.368 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958091807 664237335 /nfs/dbraw/zinc/23/73/35/664237335.db2.gz JRGRXDUFSMRSAY-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958091807 664237336 /nfs/dbraw/zinc/23/73/36/664237336.db2.gz JRGRXDUFSMRSAY-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccn2nnnc12 ZINC000958091977 664237344 /nfs/dbraw/zinc/23/73/44/664237344.db2.gz KUHLUJDMYSFYDQ-KOLCDFICSA-N 1 1 306.326 -1.861 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085819 664237364 /nfs/dbraw/zinc/23/73/64/664237364.db2.gz KNBHLAVVTRYGCC-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085819 664237366 /nfs/dbraw/zinc/23/73/66/664237366.db2.gz KNBHLAVVTRYGCC-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117987 664237723 /nfs/dbraw/zinc/23/77/23/664237723.db2.gz XSGHSPXKQJFLGK-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117987 664237726 /nfs/dbraw/zinc/23/77/26/664237726.db2.gz XSGHSPXKQJFLGK-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn2c1OCCC2 ZINC000958122153 664237746 /nfs/dbraw/zinc/23/77/46/664237746.db2.gz QSFLZJKNOKREKW-NEPJUHHUSA-N 1 1 324.381 -1.011 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958101573 664237911 /nfs/dbraw/zinc/23/79/11/664237911.db2.gz UBLMCOXJGQQWDK-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958101573 664237913 /nfs/dbraw/zinc/23/79/13/664237913.db2.gz UBLMCOXJGQQWDK-CMPLNLGQSA-N 1 1 307.354 -1.399 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958120941 664237936 /nfs/dbraw/zinc/23/79/36/664237936.db2.gz CGWWZIGTMAFGML-ONGXEEELSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958120941 664237938 /nfs/dbraw/zinc/23/79/38/664237938.db2.gz CGWWZIGTMAFGML-ONGXEEELSA-N 1 1 323.353 -1.699 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2[nH]cnc21 ZINC000958105811 664238061 /nfs/dbraw/zinc/23/80/61/664238061.db2.gz MEEYVRXFWWSDIQ-GXSJLCMTSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117986 664238109 /nfs/dbraw/zinc/23/81/09/664238109.db2.gz XSGHSPXKQJFLGK-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC000958117986 664238111 /nfs/dbraw/zinc/23/81/11/664238111.db2.gz XSGHSPXKQJFLGK-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122323 664238344 /nfs/dbraw/zinc/23/83/44/664238344.db2.gz UDLVKMPHXCVJDB-KWQFWETISA-N 1 1 306.326 -1.632 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136057 664238367 /nfs/dbraw/zinc/23/83/67/664238367.db2.gz XRUGLMWNOQRUQQ-CABZTGNLSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ncccc23)C1 ZINC000958136057 664238370 /nfs/dbraw/zinc/23/83/70/664238370.db2.gz XRUGLMWNOQRUQQ-CABZTGNLSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2ncccc12 ZINC000958140312 664238380 /nfs/dbraw/zinc/23/83/80/664238380.db2.gz RGGXGZJPOKDGTP-GWCFXTLKSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2ccnn21 ZINC000958134077 664238800 /nfs/dbraw/zinc/23/88/00/664238800.db2.gz AWSONYRWJAHUSH-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130598 664238812 /nfs/dbraw/zinc/23/88/12/664238812.db2.gz GZEILXPRARRLPT-GWCFXTLKSA-N 1 1 322.365 -1.405 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130598 664238813 /nfs/dbraw/zinc/23/88/13/664238813.db2.gz GZEILXPRARRLPT-GWCFXTLKSA-N 1 1 322.365 -1.405 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135946 664238817 /nfs/dbraw/zinc/23/88/17/664238817.db2.gz WBLPSKKWUGTYTH-PWSUYJOCSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122322 664238836 /nfs/dbraw/zinc/23/88/36/664238836.db2.gz UDLVKMPHXCVJDB-KCJUWKMLSA-N 1 1 306.326 -1.632 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1C1CC1 ZINC000958126955 664238962 /nfs/dbraw/zinc/23/89/62/664238962.db2.gz UKNUWMIZIOEHSJ-MFKMUULPSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1C1CC1 ZINC000958126955 664238965 /nfs/dbraw/zinc/23/89/65/664238965.db2.gz UKNUWMIZIOEHSJ-MFKMUULPSA-N 1 1 321.381 -1.195 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122321 664239080 /nfs/dbraw/zinc/23/90/80/664239080.db2.gz UDLVKMPHXCVJDB-GZMMTYOYSA-N 1 1 306.326 -1.632 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC000958148579 664239527 /nfs/dbraw/zinc/23/95/27/664239527.db2.gz JALNXGPYGWORSE-JQWIXIFHSA-N 1 1 310.354 -1.815 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149588 664239837 /nfs/dbraw/zinc/23/98/37/664239837.db2.gz UCZSBTCRNTYPCD-WPRPVWTQSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC000958149588 664239840 /nfs/dbraw/zinc/23/98/40/664239840.db2.gz UCZSBTCRNTYPCD-WPRPVWTQSA-N 1 1 319.325 -2.139 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958144793 664239874 /nfs/dbraw/zinc/23/98/74/664239874.db2.gz FMYLCQZHHGVQNL-WDEREUQCSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958144793 664239876 /nfs/dbraw/zinc/23/98/76/664239876.db2.gz FMYLCQZHHGVQNL-WDEREUQCSA-N 1 1 322.365 -1.094 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)[C@H](O)C1 ZINC000958149585 664239973 /nfs/dbraw/zinc/23/99/73/664239973.db2.gz UCZSBTCRNTYPCD-PSASIEDQSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n[nH]nc3c2)[C@H](O)C1 ZINC000958149585 664239978 /nfs/dbraw/zinc/23/99/78/664239978.db2.gz UCZSBTCRNTYPCD-PSASIEDQSA-N 1 1 319.325 -2.139 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c(cn1)OCCO2 ZINC000958150150 664240251 /nfs/dbraw/zinc/24/02/51/664240251.db2.gz ZIFIYKAYZVTZQB-JQWIXIFHSA-N 1 1 323.349 -1.132 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC000958150217 664240377 /nfs/dbraw/zinc/24/03/77/664240377.db2.gz ZYXJVBBPTNTXCQ-GXSJLCMTSA-N 1 1 306.326 -1.632 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1C ZINC000958153466 664240421 /nfs/dbraw/zinc/24/04/21/664240421.db2.gz VBVLKVDOPXFJHJ-FZMZJTMJSA-N 1 1 309.366 -1.291 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154331 664240582 /nfs/dbraw/zinc/24/05/82/664240582.db2.gz ZGXXMMXTLISOCM-ONGXEEELSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154331 664240586 /nfs/dbraw/zinc/24/05/86/664240586.db2.gz ZGXXMMXTLISOCM-ONGXEEELSA-N 1 1 323.353 -2.079 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC000958150128 664240596 /nfs/dbraw/zinc/24/05/96/664240596.db2.gz YWNINQAXLZFMEI-ZYHUDNBSSA-N 1 1 310.354 -1.551 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157253 664240967 /nfs/dbraw/zinc/24/09/67/664240967.db2.gz MUSJQOWHGNSCNV-VHSXEESVSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157253 664240970 /nfs/dbraw/zinc/24/09/70/664240970.db2.gz MUSJQOWHGNSCNV-VHSXEESVSA-N 1 1 309.326 -2.049 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958164390 664241133 /nfs/dbraw/zinc/24/11/33/664241133.db2.gz LDPDDDHQQHIPNV-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958164390 664241134 /nfs/dbraw/zinc/24/11/34/664241134.db2.gz LDPDDDHQQHIPNV-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162003 664241139 /nfs/dbraw/zinc/24/11/39/664241139.db2.gz PECGLNOCANERDY-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)ncn2C)C1 ZINC000958162003 664241141 /nfs/dbraw/zinc/24/11/41/664241141.db2.gz PECGLNOCANERDY-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157255 664241261 /nfs/dbraw/zinc/24/12/61/664241261.db2.gz MUSJQOWHGNSCNV-ZJUUUORDSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958157255 664241262 /nfs/dbraw/zinc/24/12/62/664241262.db2.gz MUSJQOWHGNSCNV-ZJUUUORDSA-N 1 1 309.326 -2.049 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000958168858 664241367 /nfs/dbraw/zinc/24/13/67/664241367.db2.gz YWXKTIRNSDQXDM-MWLCHTKSSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc[nH]c2=O)[C@H](O)C1 ZINC000958168858 664241369 /nfs/dbraw/zinc/24/13/69/664241369.db2.gz YWXKTIRNSDQXDM-MWLCHTKSSA-N 1 1 323.353 -1.707 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1C ZINC000958179577 664241958 /nfs/dbraw/zinc/24/19/58/664241958.db2.gz OZSILHVRHFGLSZ-WDEREUQCSA-N 1 1 310.354 -1.186 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178909 664242063 /nfs/dbraw/zinc/24/20/63/664242063.db2.gz CYLRIULROHZPGD-ONGXEEELSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178909 664242065 /nfs/dbraw/zinc/24/20/65/664242065.db2.gz CYLRIULROHZPGD-ONGXEEELSA-N 1 1 323.353 -2.079 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC000958179804 664242095 /nfs/dbraw/zinc/24/20/95/664242095.db2.gz STAXFCTVMMSFQQ-WCQYABFASA-N 1 1 324.381 -1.182 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC000958179803 664242133 /nfs/dbraw/zinc/24/21/33/664242133.db2.gz STAXFCTVMMSFQQ-DGCLKSJQSA-N 1 1 324.381 -1.182 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]c1C ZINC000958179090 664242279 /nfs/dbraw/zinc/24/22/79/664242279.db2.gz HJXBWOGEPRAFDQ-NXEZZACHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]c1C ZINC000958179090 664242281 /nfs/dbraw/zinc/24/22/81/664242281.db2.gz HJXBWOGEPRAFDQ-NXEZZACHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC000958168897 664242294 /nfs/dbraw/zinc/24/22/94/664242294.db2.gz ZIUDJCQMXASFKJ-MNOVXSKESA-N 1 1 320.353 -1.552 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000958182541 664242728 /nfs/dbraw/zinc/24/27/28/664242728.db2.gz CBHLYANPECCPTR-ZJUUUORDSA-N 1 1 317.367 -1.031 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000958182540 664242932 /nfs/dbraw/zinc/24/29/32/664242932.db2.gz CBHLYANPECCPTR-VHSXEESVSA-N 1 1 317.367 -1.031 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)n1 ZINC000958192932 664243098 /nfs/dbraw/zinc/24/30/98/664243098.db2.gz LEKCOJSUMUMVEV-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)n1 ZINC000958192932 664243099 /nfs/dbraw/zinc/24/30/99/664243099.db2.gz LEKCOJSUMUMVEV-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190079 664243115 /nfs/dbraw/zinc/24/31/15/664243115.db2.gz AOGBZLRGQBKLQC-NWDGAFQWSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190079 664243116 /nfs/dbraw/zinc/24/31/16/664243116.db2.gz AOGBZLRGQBKLQC-NWDGAFQWSA-N 1 1 320.349 -1.707 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1Cl ZINC000958187173 664243155 /nfs/dbraw/zinc/24/31/55/664243155.db2.gz MQBMRNLLJUBSGU-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1Cl ZINC000958187173 664243159 /nfs/dbraw/zinc/24/31/59/664243159.db2.gz MQBMRNLLJUBSGU-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958185128 664243248 /nfs/dbraw/zinc/24/32/48/664243248.db2.gz NJPSDPQRZGQVBP-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190080 664243319 /nfs/dbraw/zinc/24/33/19/664243319.db2.gz AOGBZLRGQBKLQC-RYUDHWBXSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190080 664243322 /nfs/dbraw/zinc/24/33/22/664243322.db2.gz AOGBZLRGQBKLQC-RYUDHWBXSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190078 664243412 /nfs/dbraw/zinc/24/34/12/664243412.db2.gz AOGBZLRGQBKLQC-NEPJUHHUSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC000958190078 664243414 /nfs/dbraw/zinc/24/34/14/664243414.db2.gz AOGBZLRGQBKLQC-NEPJUHHUSA-N 1 1 320.349 -1.707 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958190865 664243422 /nfs/dbraw/zinc/24/34/22/664243422.db2.gz OJUVCXKHNHFUGC-ZWNOBZJWSA-N 1 1 312.370 -1.419 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 ZINC000958190081 664243486 /nfs/dbraw/zinc/24/34/86/664243486.db2.gz AOGBZLRGQBKLQC-VXGBXAGGSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(C(N)=O)c2)[C@H](O)C1 ZINC000958190081 664243489 /nfs/dbraw/zinc/24/34/89/664243489.db2.gz AOGBZLRGQBKLQC-VXGBXAGGSA-N 1 1 320.349 -1.707 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958198944 664243733 /nfs/dbraw/zinc/24/37/33/664243733.db2.gz CGCDETMIXURAMX-WDEREUQCSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958198944 664243736 /nfs/dbraw/zinc/24/37/36/664243736.db2.gz CGCDETMIXURAMX-WDEREUQCSA-N 1 1 308.338 -1.402 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958202134 664243833 /nfs/dbraw/zinc/24/38/33/664243833.db2.gz ADUHCEUPJLBPTG-NWDGAFQWSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958202134 664243836 /nfs/dbraw/zinc/24/38/36/664243836.db2.gz ADUHCEUPJLBPTG-NWDGAFQWSA-N 1 1 321.381 -1.345 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958195945 664243871 /nfs/dbraw/zinc/24/38/71/664243871.db2.gz MUITULDIYGYUIH-GWCFXTLKSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958195945 664243875 /nfs/dbraw/zinc/24/38/75/664243875.db2.gz MUITULDIYGYUIH-GWCFXTLKSA-N 1 1 321.381 -1.145 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958200836 664244157 /nfs/dbraw/zinc/24/41/57/664244157.db2.gz OSANLZMZLBWHBG-PUHVVEEASA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200310 664244192 /nfs/dbraw/zinc/24/41/92/664244192.db2.gz PVWMBWZFAQZLAD-NWDGAFQWSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200310 664244195 /nfs/dbraw/zinc/24/41/95/664244195.db2.gz PVWMBWZFAQZLAD-NWDGAFQWSA-N 1 1 322.365 -1.141 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958195947 664244210 /nfs/dbraw/zinc/24/42/10/664244210.db2.gz MUITULDIYGYUIH-MFKMUULPSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1nnc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958195947 664244215 /nfs/dbraw/zinc/24/42/15/664244215.db2.gz MUITULDIYGYUIH-MFKMUULPSA-N 1 1 321.381 -1.145 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC000958201539 664244300 /nfs/dbraw/zinc/24/43/00/664244300.db2.gz WTULUYRGKCJNBT-HBYGRHMLSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000958196794 664244309 /nfs/dbraw/zinc/24/43/09/664244309.db2.gz YHHJKSSQGSDRBM-KOLCDFICSA-N 1 1 321.337 -1.322 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn(CCF)c1 ZINC000958200277 664244325 /nfs/dbraw/zinc/24/43/25/664244325.db2.gz PFGTZOIPBPSAMH-CMPLNLGQSA-N 1 1 300.334 -1.133 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@H](CNC(=O)c3cn[nH]n3)C2)cn1 ZINC000958205567 664244703 /nfs/dbraw/zinc/24/47/03/664244703.db2.gz ATDUXLDWMBAPET-YPMHNXCESA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205567 664244706 /nfs/dbraw/zinc/24/47/06/664244706.db2.gz ATDUXLDWMBAPET-YPMHNXCESA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205567 664244709 /nfs/dbraw/zinc/24/47/09/664244709.db2.gz ATDUXLDWMBAPET-YPMHNXCESA-N 1 1 319.369 -1.197 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958203136 664245314 /nfs/dbraw/zinc/24/53/14/664245314.db2.gz NLGGBHADNJHGJC-SKDRFNHKSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958203136 664245318 /nfs/dbraw/zinc/24/53/18/664245318.db2.gz NLGGBHADNJHGJC-SKDRFNHKSA-N 1 1 309.370 -1.130 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203716 664245460 /nfs/dbraw/zinc/24/54/60/664245460.db2.gz UFPNUPRQXLDQIJ-RYUDHWBXSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203716 664245464 /nfs/dbraw/zinc/24/54/64/664245464.db2.gz UFPNUPRQXLDQIJ-RYUDHWBXSA-N 1 1 322.365 -1.846 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958203135 664245718 /nfs/dbraw/zinc/24/57/18/664245718.db2.gz NLGGBHADNJHGJC-JOYOIKCWSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958203135 664245721 /nfs/dbraw/zinc/24/57/21/664245721.db2.gz NLGGBHADNJHGJC-JOYOIKCWSA-N 1 1 309.370 -1.130 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203715 664245958 /nfs/dbraw/zinc/24/59/58/664245958.db2.gz UFPNUPRQXLDQIJ-NWDGAFQWSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000958203715 664245961 /nfs/dbraw/zinc/24/59/61/664245961.db2.gz UFPNUPRQXLDQIJ-NWDGAFQWSA-N 1 1 322.365 -1.846 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]n1 ZINC000958206996 664246978 /nfs/dbraw/zinc/24/69/78/664246978.db2.gz QBKUHQYHVHABKK-GXSJLCMTSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206996 664246984 /nfs/dbraw/zinc/24/69/84/664246984.db2.gz QBKUHQYHVHABKK-GXSJLCMTSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206996 664246992 /nfs/dbraw/zinc/24/69/92/664246992.db2.gz QBKUHQYHVHABKK-GXSJLCMTSA-N 1 1 323.357 -2.148 20 0 DAADMO CCCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958209893 664247233 /nfs/dbraw/zinc/24/72/33/664247233.db2.gz DOUSLZIUNKXUGX-GWCFXTLKSA-N 1 1 323.397 -1.120 20 0 DAADMO CCCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958209893 664247235 /nfs/dbraw/zinc/24/72/35/664247235.db2.gz DOUSLZIUNKXUGX-GWCFXTLKSA-N 1 1 323.397 -1.120 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222425 664247626 /nfs/dbraw/zinc/24/76/26/664247626.db2.gz CPQPMZDPGFZZDT-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222425 664247628 /nfs/dbraw/zinc/24/76/28/664247628.db2.gz CPQPMZDPGFZZDT-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215874 664247661 /nfs/dbraw/zinc/24/76/61/664247661.db2.gz YFPSVWWAKXDVAR-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215874 664247664 /nfs/dbraw/zinc/24/76/64/664247664.db2.gz YFPSVWWAKXDVAR-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223751 664247701 /nfs/dbraw/zinc/24/77/01/664247701.db2.gz QFJSQEVCYYSXOL-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223751 664247703 /nfs/dbraw/zinc/24/77/03/664247703.db2.gz QFJSQEVCYYSXOL-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222426 664247901 /nfs/dbraw/zinc/24/79/01/664247901.db2.gz CPQPMZDPGFZZDT-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3ncnn32)C1 ZINC000958222426 664247905 /nfs/dbraw/zinc/24/79/05/664247905.db2.gz CPQPMZDPGFZZDT-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223752 664247971 /nfs/dbraw/zinc/24/79/71/664247971.db2.gz QFJSQEVCYYSXOL-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC000958223752 664247973 /nfs/dbraw/zinc/24/79/73/664247973.db2.gz QFJSQEVCYYSXOL-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2c1OCCC2 ZINC000958220511 664248141 /nfs/dbraw/zinc/24/81/41/664248141.db2.gz ZJTZKHLMFBZPMQ-JQWIXIFHSA-N 1 1 310.354 -1.320 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958218203 664248231 /nfs/dbraw/zinc/24/82/31/664248231.db2.gz BCIUWDSKNBDOKJ-PWSUYJOCSA-N 1 1 310.354 -1.861 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000958219650 664248272 /nfs/dbraw/zinc/24/82/72/664248272.db2.gz LPHBNRBWKHZJSR-WCQYABFASA-N 1 1 324.381 -1.207 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958220491 664248297 /nfs/dbraw/zinc/24/82/97/664248297.db2.gz ZCVKNZLIXIMOAN-DGCLKSJQSA-N 1 1 324.381 -1.471 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3c2OCCC3)[C@H](O)C1 ZINC000958219772 664248370 /nfs/dbraw/zinc/24/83/70/664248370.db2.gz NHBKBEZYLSXJKF-MWLCHTKSSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3c2OCCC3)[C@H](O)C1 ZINC000958219772 664248372 /nfs/dbraw/zinc/24/83/72/664248372.db2.gz NHBKBEZYLSXJKF-MWLCHTKSSA-N 1 1 323.353 -1.827 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000958214604 664248374 /nfs/dbraw/zinc/24/83/74/664248374.db2.gz JUUGMFLGPIOFIH-IUCAKERBSA-N 1 1 317.367 -1.031 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ncnc2[nH]ccc21 ZINC000958220167 664248383 /nfs/dbraw/zinc/24/83/83/664248383.db2.gz ULQWFIRHBZHKFB-KOLCDFICSA-N 1 1 305.338 -1.076 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000958214603 664248440 /nfs/dbraw/zinc/24/84/40/664248440.db2.gz JUUGMFLGPIOFIH-DTWKUNHWSA-N 1 1 317.367 -1.031 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958224786 664248807 /nfs/dbraw/zinc/24/88/07/664248807.db2.gz YBTXFQOJTRELIM-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958224786 664248810 /nfs/dbraw/zinc/24/88/10/664248810.db2.gz YBTXFQOJTRELIM-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958224785 664248978 /nfs/dbraw/zinc/24/89/78/664248978.db2.gz YBTXFQOJTRELIM-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nnccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958224785 664248983 /nfs/dbraw/zinc/24/89/83/664248983.db2.gz YBTXFQOJTRELIM-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncn2C)[C@H](O)C1 ZINC000958228094 664249124 /nfs/dbraw/zinc/24/91/24/664249124.db2.gz LLHHUPXRZQVORZ-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncn2C)[C@H](O)C1 ZINC000958228094 664249128 /nfs/dbraw/zinc/24/91/28/664249128.db2.gz LLHHUPXRZQVORZ-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC000958227474 664249177 /nfs/dbraw/zinc/24/91/77/664249177.db2.gz FOLXRALLJBCZKY-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC000958227474 664249181 /nfs/dbraw/zinc/24/91/81/664249181.db2.gz FOLXRALLJBCZKY-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958229090 664249651 /nfs/dbraw/zinc/24/96/51/664249651.db2.gz XWAAHGRUWGVGBS-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958229090 664249653 /nfs/dbraw/zinc/24/96/53/664249653.db2.gz XWAAHGRUWGVGBS-MFKMUULPSA-N 1 1 321.381 -1.279 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC000958248257 664249912 /nfs/dbraw/zinc/24/99/12/664249912.db2.gz HFYDHDRHRQPUSZ-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(OC)n2)[C@H](O)C1 ZINC000958248257 664249914 /nfs/dbraw/zinc/24/99/14/664249914.db2.gz HFYDHDRHRQPUSZ-MWLCHTKSSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1Cl ZINC000958242148 664249958 /nfs/dbraw/zinc/24/99/58/664249958.db2.gz AIXJFQFBGZUWRC-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1Cl ZINC000958242148 664249961 /nfs/dbraw/zinc/24/99/61/664249961.db2.gz AIXJFQFBGZUWRC-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248254 664250209 /nfs/dbraw/zinc/25/02/09/664250209.db2.gz HFYDHDRHRQPUSZ-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248254 664250210 /nfs/dbraw/zinc/25/02/10/664250210.db2.gz HFYDHDRHRQPUSZ-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000958239497 664250215 /nfs/dbraw/zinc/25/02/15/664250215.db2.gz PTUPOEZZHZMROJ-YPMHNXCESA-N 1 1 324.381 -1.068 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)nc1 ZINC000958242791 664250220 /nfs/dbraw/zinc/25/02/20/664250220.db2.gz FJSPTPLWTBXELF-CMPLNLGQSA-N 1 1 310.354 -1.110 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC000958248653 664250484 /nfs/dbraw/zinc/25/04/84/664250484.db2.gz MPLPXRGGKWERHK-GXSJLCMTSA-N 1 1 320.353 -1.242 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 ZINC000958240124 664250624 /nfs/dbraw/zinc/25/06/24/664250624.db2.gz XZAGALWADLPFGY-HTQZYQBOSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 ZINC000958240124 664250626 /nfs/dbraw/zinc/25/06/26/664250626.db2.gz XZAGALWADLPFGY-HTQZYQBOSA-N 1 1 310.310 -2.114 20 0 DAADMO COc1coc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC000958262289 664250876 /nfs/dbraw/zinc/25/08/76/664250876.db2.gz IPWVXLWJMXCPLM-ONGXEEELSA-N 1 1 312.322 -1.337 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958250244 664250907 /nfs/dbraw/zinc/25/09/07/664250907.db2.gz ZBFDWNWKINLEDD-BXUZGUMPSA-N 1 1 309.366 -1.210 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC000958254603 664251053 /nfs/dbraw/zinc/25/10/53/664251053.db2.gz QNDLKBAOHLWCFQ-VXGBXAGGSA-N 1 1 320.353 -1.471 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958250370 664251156 /nfs/dbraw/zinc/25/11/56/664251156.db2.gz ZMWPYDWOLCQUKP-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO Cn1ccc(=O)c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958250248 664251168 /nfs/dbraw/zinc/25/11/68/664251168.db2.gz ZBFDWNWKINLEDD-SMDDNHRTSA-N 1 1 309.366 -1.210 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3nccn3c2)[C@H](O)C1 ZINC000958254048 664251183 /nfs/dbraw/zinc/25/11/83/664251183.db2.gz LOPQIQLROVRWPR-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3nccn3c2)[C@H](O)C1 ZINC000958254048 664251185 /nfs/dbraw/zinc/25/11/85/664251185.db2.gz LOPQIQLROVRWPR-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958253647 664251238 /nfs/dbraw/zinc/25/12/38/664251238.db2.gz IZUHRQJIWIEFJD-RYUDHWBXSA-N 1 1 320.353 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254688 664251363 /nfs/dbraw/zinc/25/13/63/664251363.db2.gz RLTHTPVSYMWTQE-UWVGGRQHSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254688 664251364 /nfs/dbraw/zinc/25/13/64/664251364.db2.gz RLTHTPVSYMWTQE-UWVGGRQHSA-N 1 1 319.325 -2.368 20 0 DAADMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958264746 664252057 /nfs/dbraw/zinc/25/20/57/664252057.db2.gz VXMIKDKWRNRZGJ-YABSGUDNSA-N 1 1 308.382 -1.353 20 0 DAADMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958264746 664252058 /nfs/dbraw/zinc/25/20/58/664252058.db2.gz VXMIKDKWRNRZGJ-YABSGUDNSA-N 1 1 308.382 -1.353 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc(=O)[nH]1 ZINC000958267334 664252083 /nfs/dbraw/zinc/25/20/83/664252083.db2.gz MLOVZZGXBOQZSD-PWSUYJOCSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc(=O)[nH]1 ZINC000958267334 664252086 /nfs/dbraw/zinc/25/20/86/664252086.db2.gz MLOVZZGXBOQZSD-PWSUYJOCSA-N 1 1 322.365 -1.143 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1)N1CCC1 ZINC000958287177 664252333 /nfs/dbraw/zinc/25/23/33/664252333.db2.gz AMMHCEIBQWXZDU-GHMZBOCLSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1)N1CCC1 ZINC000958287177 664252338 /nfs/dbraw/zinc/25/23/38/664252338.db2.gz AMMHCEIBQWXZDU-GHMZBOCLSA-N 1 1 308.338 -1.071 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290461 664252396 /nfs/dbraw/zinc/25/23/96/664252396.db2.gz BGBMWLLXEHZKFT-CABZTGNLSA-N 1 1 323.349 -1.140 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290461 664252400 /nfs/dbraw/zinc/25/24/00/664252400.db2.gz BGBMWLLXEHZKFT-CABZTGNLSA-N 1 1 323.349 -1.140 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290744 664252490 /nfs/dbraw/zinc/25/24/90/664252490.db2.gz GFSWPWMGCARZNN-GXSJLCMTSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290744 664252495 /nfs/dbraw/zinc/25/24/95/664252495.db2.gz GFSWPWMGCARZNN-GXSJLCMTSA-N 1 1 308.338 -1.024 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 ZINC000958289414 664252504 /nfs/dbraw/zinc/25/25/04/664252504.db2.gz VHSXAKYXOVAXJZ-SCZZXKLOSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2csnn2)C1 ZINC000958289414 664252507 /nfs/dbraw/zinc/25/25/07/664252507.db2.gz VHSXAKYXOVAXJZ-SCZZXKLOSA-N 1 1 313.383 -1.351 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2coc(OC)n2)[C@H](O)C1 ZINC000958281998 664252716 /nfs/dbraw/zinc/25/27/16/664252716.db2.gz SYUKOVWXVJKDOC-PSASIEDQSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2coc(OC)n2)[C@H](O)C1 ZINC000958281998 664252719 /nfs/dbraw/zinc/25/27/19/664252719.db2.gz SYUKOVWXVJKDOC-PSASIEDQSA-N 1 1 312.326 -1.548 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnco1 ZINC000958298392 664253491 /nfs/dbraw/zinc/25/34/91/664253491.db2.gz ZNKLGKUZCFZSKD-WDEREUQCSA-N 1 1 323.353 -1.278 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958300847 664253906 /nfs/dbraw/zinc/25/39/06/664253906.db2.gz XDPCHPKETUQLCL-QWRGUYRKSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958300847 664253908 /nfs/dbraw/zinc/25/39/08/664253908.db2.gz XDPCHPKETUQLCL-QWRGUYRKSA-N 1 1 322.365 -1.088 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cn[nH]c1 ZINC000958301446 664253950 /nfs/dbraw/zinc/25/39/50/664253950.db2.gz HOIPNWBHIOBNSA-IAZYJMLFSA-N 1 1 318.337 -1.379 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958309007 664254033 /nfs/dbraw/zinc/25/40/33/664254033.db2.gz FGMGLEMGRMYCNV-PWSUYJOCSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958304951 664254194 /nfs/dbraw/zinc/25/41/94/664254194.db2.gz WVJLDMKHMJUBLW-GHMZBOCLSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958304951 664254198 /nfs/dbraw/zinc/25/41/98/664254198.db2.gz WVJLDMKHMJUBLW-GHMZBOCLSA-N 1 1 322.369 -1.632 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958308784 664254306 /nfs/dbraw/zinc/25/43/06/664254306.db2.gz ABAGTBYEWUUXHZ-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958308784 664254307 /nfs/dbraw/zinc/25/43/07/664254307.db2.gz ABAGTBYEWUUXHZ-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958315648 664254783 /nfs/dbraw/zinc/25/47/83/664254783.db2.gz AOHJPLSRSHODCO-GXSJLCMTSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958315648 664254786 /nfs/dbraw/zinc/25/47/86/664254786.db2.gz AOHJPLSRSHODCO-GXSJLCMTSA-N 1 1 320.357 -1.834 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(OC)ccn2)[C@H](O)C1 ZINC000958313957 664254793 /nfs/dbraw/zinc/25/47/93/664254793.db2.gz XQUNCNMXKZWBCD-ZWNOBZJWSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(OC)ccn2)[C@H](O)C1 ZINC000958313957 664254796 /nfs/dbraw/zinc/25/47/96/664254796.db2.gz XQUNCNMXKZWBCD-ZWNOBZJWSA-N 1 1 322.365 -1.141 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958312685 664255169 /nfs/dbraw/zinc/25/51/69/664255169.db2.gz DLCNGAFOWLVAKC-ZJUUUORDSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958312685 664255170 /nfs/dbraw/zinc/25/51/70/664255170.db2.gz DLCNGAFOWLVAKC-ZJUUUORDSA-N 1 1 323.353 -1.693 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2cccnc12 ZINC000958309178 664255192 /nfs/dbraw/zinc/25/51/92/664255192.db2.gz IAUWJDIJQDCRAA-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958313280 664255244 /nfs/dbraw/zinc/25/52/44/664255244.db2.gz MJNKISQBTHSYTN-QWRGUYRKSA-N 1 1 320.357 -1.573 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316392 664256135 /nfs/dbraw/zinc/25/61/35/664256135.db2.gz HUKMRYZRODTBDP-GXSJLCMTSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316392 664256137 /nfs/dbraw/zinc/25/61/37/664256137.db2.gz HUKMRYZRODTBDP-GXSJLCMTSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958316849 664256146 /nfs/dbraw/zinc/25/61/46/664256146.db2.gz OUPZHSVZNKOUMJ-UWVGGRQHSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958316849 664256148 /nfs/dbraw/zinc/25/61/48/664256148.db2.gz OUPZHSVZNKOUMJ-UWVGGRQHSA-N 1 1 323.357 -2.535 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316771 664256248 /nfs/dbraw/zinc/25/62/48/664256248.db2.gz NSCVANCCZPDOJP-RKDXNWHRSA-N 1 1 311.346 -2.679 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316771 664256251 /nfs/dbraw/zinc/25/62/51/664256251.db2.gz NSCVANCCZPDOJP-RKDXNWHRSA-N 1 1 311.346 -2.679 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958317136 664256458 /nfs/dbraw/zinc/25/64/58/664256458.db2.gz SNSJMTSYJVLBCO-PSASIEDQSA-N 1 1 323.357 -2.489 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958317136 664256459 /nfs/dbraw/zinc/25/64/59/664256459.db2.gz SNSJMTSYJVLBCO-PSASIEDQSA-N 1 1 323.357 -2.489 20 0 DAADMO Cc1nocc1C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316682 664256523 /nfs/dbraw/zinc/25/65/23/664256523.db2.gz MODYSBMTJMDYRY-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nocc1C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316682 664256526 /nfs/dbraw/zinc/25/65/26/664256526.db2.gz MODYSBMTJMDYRY-MWLCHTKSSA-N 1 1 321.341 -1.271 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318547 664256807 /nfs/dbraw/zinc/25/68/07/664256807.db2.gz FAJLSPYJSCPHAS-WPRPVWTQSA-N 1 1 311.342 -2.106 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958318547 664256808 /nfs/dbraw/zinc/25/68/08/664256808.db2.gz FAJLSPYJSCPHAS-WPRPVWTQSA-N 1 1 311.342 -2.106 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC000958318789 664257418 /nfs/dbraw/zinc/25/74/18/664257418.db2.gz GRPDGIOOFUXPEZ-VXGBXAGGSA-N 1 1 320.353 -1.207 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC000958321778 664258002 /nfs/dbraw/zinc/25/80/02/664258002.db2.gz WPVSHYACBOXYIK-NEPJUHHUSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958324855 664258112 /nfs/dbraw/zinc/25/81/12/664258112.db2.gz LJRJWAPTKMUTHS-ODXJTPSBSA-N 1 1 321.381 -1.421 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC000958321186 664258196 /nfs/dbraw/zinc/25/81/96/664258196.db2.gz UFFCJWGEFSQEJX-GHMZBOCLSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958324854 664258426 /nfs/dbraw/zinc/25/84/26/664258426.db2.gz LJRJWAPTKMUTHS-DGTMBMJNSA-N 1 1 321.381 -1.421 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335205 664259281 /nfs/dbraw/zinc/25/92/81/664259281.db2.gz SSJNSCINJVRKHM-APPZFPTMSA-N 1 1 314.367 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335205 664259285 /nfs/dbraw/zinc/25/92/85/664259285.db2.gz SSJNSCINJVRKHM-APPZFPTMSA-N 1 1 314.367 -1.383 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958345020 664259694 /nfs/dbraw/zinc/25/96/94/664259694.db2.gz KUNAGBRVDXTEBM-IUCAKERBSA-N 1 1 309.326 -2.002 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958345020 664259695 /nfs/dbraw/zinc/25/96/95/664259695.db2.gz KUNAGBRVDXTEBM-IUCAKERBSA-N 1 1 309.326 -2.002 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC000958346299 664260269 /nfs/dbraw/zinc/26/02/69/664260269.db2.gz XWRMBSSNGDAZJG-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(C)n2C)[C@H](O)C1 ZINC000958346299 664260271 /nfs/dbraw/zinc/26/02/71/664260271.db2.gz XWRMBSSNGDAZJG-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346297 664260284 /nfs/dbraw/zinc/26/02/84/664260284.db2.gz XWRMBSSNGDAZJG-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346297 664260285 /nfs/dbraw/zinc/26/02/85/664260285.db2.gz XWRMBSSNGDAZJG-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958348824 664260302 /nfs/dbraw/zinc/26/03/02/664260302.db2.gz ACVIUFHDWLKXDU-ONGXEEELSA-N 1 1 320.353 -1.622 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346298 664260429 /nfs/dbraw/zinc/26/04/29/664260429.db2.gz XWRMBSSNGDAZJG-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC000958346298 664260431 /nfs/dbraw/zinc/26/04/31/664260431.db2.gz XWRMBSSNGDAZJG-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000958347178 664260504 /nfs/dbraw/zinc/26/05/04/664260504.db2.gz HJZBIYHHGHZJJS-LDYMZIIASA-N 1 1 323.353 -1.202 20 0 DAADMO CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000958358614 664260983 /nfs/dbraw/zinc/26/09/83/664260983.db2.gz IIYJZJRABYEZMF-MJBXVCDLSA-N 1 1 323.397 -1.137 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000958350853 664261184 /nfs/dbraw/zinc/26/11/84/664261184.db2.gz VDLBCMWPPCKFQD-KCJUWKMLSA-N 1 1 321.337 -1.322 20 0 DAADMO COc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958373514 664262158 /nfs/dbraw/zinc/26/21/58/664262158.db2.gz GVCMSJLXXGTNTO-MWLCHTKSSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958373514 664262160 /nfs/dbraw/zinc/26/21/60/664262160.db2.gz GVCMSJLXXGTNTO-MWLCHTKSSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958373515 664262371 /nfs/dbraw/zinc/26/23/71/664262371.db2.gz GVCMSJLXXGTNTO-ONGXEEELSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958373515 664262372 /nfs/dbraw/zinc/26/23/72/664262372.db2.gz GVCMSJLXXGTNTO-ONGXEEELSA-N 1 1 308.338 -1.402 20 0 DAADMO NC(=O)c1coc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958390225 664262857 /nfs/dbraw/zinc/26/28/57/664262857.db2.gz OVHRWYQJGPCENU-GHMZBOCLSA-N 1 1 311.338 -1.217 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958391325 664262914 /nfs/dbraw/zinc/26/29/14/664262914.db2.gz GZWHDKKBHDCKQG-RWMBFGLXSA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958391325 664262917 /nfs/dbraw/zinc/26/29/17/664262917.db2.gz GZWHDKKBHDCKQG-RWMBFGLXSA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC000958385327 664263164 /nfs/dbraw/zinc/26/31/64/664263164.db2.gz RHPUMUZJLYCAQH-PSASIEDQSA-N 1 1 313.333 -1.341 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]cc2F)[C@H](O)C1 ZINC000958385327 664263166 /nfs/dbraw/zinc/26/31/66/664263166.db2.gz RHPUMUZJLYCAQH-PSASIEDQSA-N 1 1 313.333 -1.341 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1n[nH]cc1F ZINC000958385590 664263242 /nfs/dbraw/zinc/26/32/42/664263242.db2.gz VZDYZIAGSQZZAU-ONGXEEELSA-N 1 1 323.332 -1.137 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958395609 664263502 /nfs/dbraw/zinc/26/35/02/664263502.db2.gz XIONOOQENZYQMQ-VXGBXAGGSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958395609 664263506 /nfs/dbraw/zinc/26/35/06/664263506.db2.gz XIONOOQENZYQMQ-VXGBXAGGSA-N 1 1 322.365 -1.012 20 0 DAADMO CCc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nnn1CC ZINC000958405289 664263648 /nfs/dbraw/zinc/26/36/48/664263648.db2.gz SNXFPWQWSHIKMG-CMPLNLGQSA-N 1 1 311.386 -1.125 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nnn1CC ZINC000958405291 664264112 /nfs/dbraw/zinc/26/41/12/664264112.db2.gz SNXFPWQWSHIKMG-PWSUYJOCSA-N 1 1 311.386 -1.125 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958395094 664264123 /nfs/dbraw/zinc/26/41/23/664264123.db2.gz ODHSKFLQZQMCKT-GXSJLCMTSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958395094 664264127 /nfs/dbraw/zinc/26/41/27/664264127.db2.gz ODHSKFLQZQMCKT-GXSJLCMTSA-N 1 1 308.338 -1.397 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413845 664264317 /nfs/dbraw/zinc/26/43/17/664264317.db2.gz VENPTTCMKIQZRG-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413845 664264318 /nfs/dbraw/zinc/26/43/18/664264318.db2.gz VENPTTCMKIQZRG-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958409250 664264320 /nfs/dbraw/zinc/26/43/20/664264320.db2.gz PYUYMFJSQWDKDR-ZYHUDNBSSA-N 1 1 324.381 -1.634 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958413686 664264555 /nfs/dbraw/zinc/26/45/55/664264555.db2.gz SIUUDBZUSSTSHQ-ONGXEEELSA-N 1 1 311.338 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408847 664264603 /nfs/dbraw/zinc/26/46/03/664264603.db2.gz MFBOQSOQNFODSX-GZMMTYOYSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408847 664264607 /nfs/dbraw/zinc/26/46/07/664264607.db2.gz MFBOQSOQNFODSX-GZMMTYOYSA-N 1 1 323.353 -2.118 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)[nH]1 ZINC000958408079 664264690 /nfs/dbraw/zinc/26/46/90/664264690.db2.gz DJNCKAOMGWDAFV-BXKDBHETSA-N 1 1 310.354 -1.482 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409042 664264858 /nfs/dbraw/zinc/26/48/58/664264858.db2.gz NSTBQQSESPDELL-XVKPBYJWSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409042 664264859 /nfs/dbraw/zinc/26/48/59/664264859.db2.gz NSTBQQSESPDELL-XVKPBYJWSA-N 1 1 309.326 -2.379 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409523 664264889 /nfs/dbraw/zinc/26/48/89/664264889.db2.gz UOPAHPFBOMVZTI-SKDRFNHKSA-N 1 1 310.354 -1.218 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958409904 664264905 /nfs/dbraw/zinc/26/49/05/664264905.db2.gz DTYVLYFQXNPHCW-XZUYRWCXSA-N 1 1 321.381 -1.663 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000958414957 664264926 /nfs/dbraw/zinc/26/49/26/664264926.db2.gz NBDJKSAGWIHHTM-XZUYRWCXSA-N 1 1 305.386 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412254 664264977 /nfs/dbraw/zinc/26/49/77/664264977.db2.gz AZALONXZOLMLSL-SKDRFNHKSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412254 664264981 /nfs/dbraw/zinc/26/49/81/664264981.db2.gz AZALONXZOLMLSL-SKDRFNHKSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418746 664265198 /nfs/dbraw/zinc/26/51/98/664265198.db2.gz UWQSVZZGXKILHI-ZJUUUORDSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418746 664265201 /nfs/dbraw/zinc/26/52/01/664265201.db2.gz UWQSVZZGXKILHI-ZJUUUORDSA-N 1 1 318.337 -1.763 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000958423707 664265459 /nfs/dbraw/zinc/26/54/59/664265459.db2.gz PSVGUURPFAKZKZ-NWDGAFQWSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000958423707 664265456 /nfs/dbraw/zinc/26/54/56/664265456.db2.gz PSVGUURPFAKZKZ-NWDGAFQWSA-N 1 1 307.354 -1.413 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958430702 664265725 /nfs/dbraw/zinc/26/57/25/664265725.db2.gz XAVDRQUFJQNKOF-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958430702 664265727 /nfs/dbraw/zinc/26/57/27/664265727.db2.gz XAVDRQUFJQNKOF-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418744 664265762 /nfs/dbraw/zinc/26/57/62/664265762.db2.gz UWQSVZZGXKILHI-UWVGGRQHSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418744 664265764 /nfs/dbraw/zinc/26/57/64/664265764.db2.gz UWQSVZZGXKILHI-UWVGGRQHSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nccn2ccnc12 ZINC000958418566 664265787 /nfs/dbraw/zinc/26/57/87/664265787.db2.gz SSRHRFBLASNHKS-GHMZBOCLSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436679 664266070 /nfs/dbraw/zinc/26/60/70/664266070.db2.gz YYIYVCLZFFFZDX-YPMHNXCESA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436679 664266072 /nfs/dbraw/zinc/26/60/72/664266072.db2.gz YYIYVCLZFFFZDX-YPMHNXCESA-N 1 1 319.365 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958432885 664266138 /nfs/dbraw/zinc/26/61/38/664266138.db2.gz YHYRMCOALQQCGX-JZYVYDRUSA-N 1 1 304.354 -1.193 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958432885 664266145 /nfs/dbraw/zinc/26/61/45/664266145.db2.gz YHYRMCOALQQCGX-JZYVYDRUSA-N 1 1 304.354 -1.193 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434824 664266357 /nfs/dbraw/zinc/26/63/57/664266357.db2.gz KVYZNWJBZMXYMH-PWSUYJOCSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434824 664266362 /nfs/dbraw/zinc/26/63/62/664266362.db2.gz KVYZNWJBZMXYMH-PWSUYJOCSA-N 1 1 322.365 -1.136 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC000958449734 664266372 /nfs/dbraw/zinc/26/63/72/664266372.db2.gz WTOUXPXYPJYLOH-QWRGUYRKSA-N 1 1 312.370 -1.248 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448281 664266472 /nfs/dbraw/zinc/26/64/72/664266472.db2.gz NGIPEOPBACNXKS-GXSJLCMTSA-N 1 1 310.354 -1.874 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958437017 664266509 /nfs/dbraw/zinc/26/65/09/664266509.db2.gz XVOLSUXOOOYEKE-RGOKHQFPSA-N 1 1 304.354 -1.017 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC000958448286 664266565 /nfs/dbraw/zinc/26/65/65/664266565.db2.gz NGIPEOPBACNXKS-MWLCHTKSSA-N 1 1 310.354 -1.874 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434822 664266678 /nfs/dbraw/zinc/26/66/78/664266678.db2.gz KVYZNWJBZMXYMH-CMPLNLGQSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000958434822 664266679 /nfs/dbraw/zinc/26/66/79/664266679.db2.gz KVYZNWJBZMXYMH-CMPLNLGQSA-N 1 1 322.365 -1.136 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453456 664267017 /nfs/dbraw/zinc/26/70/17/664267017.db2.gz NVVIUBJIXUTDQO-WCBMZHEXSA-N 1 1 323.378 -1.096 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc3cncn32)C1 ZINC000958453456 664267021 /nfs/dbraw/zinc/26/70/21/664267021.db2.gz NVVIUBJIXUTDQO-WCBMZHEXSA-N 1 1 323.378 -1.096 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC000958449733 664267112 /nfs/dbraw/zinc/26/71/12/664267112.db2.gz WTOUXPXYPJYLOH-MNOVXSKESA-N 1 1 312.370 -1.248 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462914 664267128 /nfs/dbraw/zinc/26/71/28/664267128.db2.gz IVRBQJSGXAGCCF-RYUDHWBXSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462914 664267133 /nfs/dbraw/zinc/26/71/33/664267133.db2.gz IVRBQJSGXAGCCF-RYUDHWBXSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462913 664267201 /nfs/dbraw/zinc/26/72/01/664267201.db2.gz IVRBQJSGXAGCCF-NWDGAFQWSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC000958462913 664267206 /nfs/dbraw/zinc/26/72/06/664267206.db2.gz IVRBQJSGXAGCCF-NWDGAFQWSA-N 1 1 319.365 -1.138 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958459253 664267385 /nfs/dbraw/zinc/26/73/85/664267385.db2.gz NGZVWXWPYBYBCS-PWSUYJOCSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958459253 664267388 /nfs/dbraw/zinc/26/73/88/664267388.db2.gz NGZVWXWPYBYBCS-PWSUYJOCSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2cccnn21 ZINC000958454601 664267458 /nfs/dbraw/zinc/26/74/58/664267458.db2.gz XLVXYIMDTHFSRE-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958462996 664267472 /nfs/dbraw/zinc/26/74/72/664267472.db2.gz JYDOOWZAUYPUTE-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958462996 664267474 /nfs/dbraw/zinc/26/74/74/664267474.db2.gz JYDOOWZAUYPUTE-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958463032 664267831 /nfs/dbraw/zinc/26/78/31/664267831.db2.gz KMGGJPAIOXHDAD-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958463032 664267833 /nfs/dbraw/zinc/26/78/33/664267833.db2.gz KMGGJPAIOXHDAD-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463031 664268077 /nfs/dbraw/zinc/26/80/77/664268077.db2.gz KMDUGHXARNFSMY-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463031 664268083 /nfs/dbraw/zinc/26/80/83/664268083.db2.gz KMDUGHXARNFSMY-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO COCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)no1 ZINC000958466939 664268192 /nfs/dbraw/zinc/26/81/92/664268192.db2.gz DAVQRWNNZGHVBA-KWQFWETISA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)no1 ZINC000958466939 664268193 /nfs/dbraw/zinc/26/81/93/664268193.db2.gz DAVQRWNNZGHVBA-KWQFWETISA-N 1 1 312.326 -1.671 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958475907 664269063 /nfs/dbraw/zinc/26/90/63/664269063.db2.gz DWZULUHZHVPWHN-WDEREUQCSA-N 1 1 313.354 -2.170 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)s1 ZINC000958476152 664269079 /nfs/dbraw/zinc/26/90/79/664269079.db2.gz FYEHHVHVYLWXDV-DTWKUNHWSA-N 1 1 313.379 -1.138 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000958474677 664269251 /nfs/dbraw/zinc/26/92/51/664269251.db2.gz PGYAVPNOHQXSII-XZUYRWCXSA-N 1 1 321.385 -1.913 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000958474677 664269256 /nfs/dbraw/zinc/26/92/56/664269256.db2.gz PGYAVPNOHQXSII-XZUYRWCXSA-N 1 1 321.385 -1.913 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)s1 ZINC000958476153 664269388 /nfs/dbraw/zinc/26/93/88/664269388.db2.gz FYEHHVHVYLWXDV-IUCAKERBSA-N 1 1 313.379 -1.138 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958476498 664269627 /nfs/dbraw/zinc/26/96/27/664269627.db2.gz LGGPSFSNDCKTEK-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958476498 664269629 /nfs/dbraw/zinc/26/96/29/664269629.db2.gz LGGPSFSNDCKTEK-SKDRFNHKSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476711 664269671 /nfs/dbraw/zinc/26/96/71/664269671.db2.gz OKAKKQSNDLBYGA-AAEUAGOBSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476711 664269672 /nfs/dbraw/zinc/26/96/72/664269672.db2.gz OKAKKQSNDLBYGA-AAEUAGOBSA-N 1 1 319.369 -1.229 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476643 664269793 /nfs/dbraw/zinc/26/97/93/664269793.db2.gz NBGGKGQSDBIXHH-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476643 664269797 /nfs/dbraw/zinc/26/97/97/664269797.db2.gz NBGGKGQSDBIXHH-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477121 664270023 /nfs/dbraw/zinc/27/00/23/664270023.db2.gz USUZEPHUEYAVGU-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477121 664270024 /nfs/dbraw/zinc/27/00/24/664270024.db2.gz USUZEPHUEYAVGU-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958476496 664270065 /nfs/dbraw/zinc/27/00/65/664270065.db2.gz LGGPSFSNDCKTEK-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958476496 664270067 /nfs/dbraw/zinc/27/00/67/664270067.db2.gz LGGPSFSNDCKTEK-CABZTGNLSA-N 1 1 322.369 -1.884 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476645 664270158 /nfs/dbraw/zinc/27/01/58/664270158.db2.gz NBGGKGQSDBIXHH-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476645 664270160 /nfs/dbraw/zinc/27/01/60/664270160.db2.gz NBGGKGQSDBIXHH-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958477645 664270190 /nfs/dbraw/zinc/27/01/90/664270190.db2.gz ZUSRCAMBEBWZRM-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958477645 664270194 /nfs/dbraw/zinc/27/01/94/664270194.db2.gz ZUSRCAMBEBWZRM-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958477626 664270270 /nfs/dbraw/zinc/27/02/70/664270270.db2.gz ZJMAAEGUBREXPD-WDEREUQCSA-N 1 1 313.354 -1.906 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958484881 664270691 /nfs/dbraw/zinc/27/06/91/664270691.db2.gz DSHOTCDZVVNAKJ-RYUDHWBXSA-N 1 1 309.366 -1.142 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485405 664270768 /nfs/dbraw/zinc/27/07/68/664270768.db2.gz LJODPZHURRBHMD-VHSXEESVSA-N 1 1 301.318 -1.582 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958485405 664270770 /nfs/dbraw/zinc/27/07/70/664270770.db2.gz LJODPZHURRBHMD-VHSXEESVSA-N 1 1 301.318 -1.582 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc(C)n1 ZINC000958485093 664270856 /nfs/dbraw/zinc/27/08/56/664270856.db2.gz GWXCLUREIODFCP-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc(C)n1 ZINC000958485093 664270858 /nfs/dbraw/zinc/27/08/58/664270858.db2.gz GWXCLUREIODFCP-PWSUYJOCSA-N 1 1 307.354 -1.399 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC000958485498 664270950 /nfs/dbraw/zinc/27/09/50/664270950.db2.gz MYQAWQOYFCWNIJ-RKDXNWHRSA-N 1 1 312.326 -3.067 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC000958485498 664270951 /nfs/dbraw/zinc/27/09/51/664270951.db2.gz MYQAWQOYFCWNIJ-RKDXNWHRSA-N 1 1 312.326 -3.067 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC000958494672 664271527 /nfs/dbraw/zinc/27/15/27/664271527.db2.gz QUZGJYSVHNVVHS-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958494672 664271529 /nfs/dbraw/zinc/27/15/29/664271529.db2.gz QUZGJYSVHNVVHS-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC000958494672 664271531 /nfs/dbraw/zinc/27/15/31/664271531.db2.gz QUZGJYSVHNVVHS-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1nc[nH]n1 ZINC000958494672 664271532 /nfs/dbraw/zinc/27/15/32/664271532.db2.gz QUZGJYSVHNVVHS-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1nc[nH]n1 ZINC000958494672 664271534 /nfs/dbraw/zinc/27/15/34/664271534.db2.gz QUZGJYSVHNVVHS-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958494308 664271547 /nfs/dbraw/zinc/27/15/47/664271547.db2.gz NXURVYDCNHKEGP-WCQYABFASA-N 1 1 324.381 -1.332 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc(C)nc2C)[C@H](O)C1 ZINC000958494315 664271835 /nfs/dbraw/zinc/27/18/35/664271835.db2.gz OBBDJHSIOAMFKS-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(C)nc2C)[C@H](O)C1 ZINC000958494315 664271838 /nfs/dbraw/zinc/27/18/38/664271838.db2.gz OBBDJHSIOAMFKS-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)ccc1=O ZINC000958492847 664271844 /nfs/dbraw/zinc/27/18/44/664271844.db2.gz BDPHVKINGMZKLW-YPMHNXCESA-N 1 1 324.381 -1.068 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1)NC1CC1 ZINC000958500305 664273235 /nfs/dbraw/zinc/27/32/35/664273235.db2.gz TZTLIELHRXTCTH-ZYHUDNBSSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1)NC1CC1 ZINC000958500305 664273239 /nfs/dbraw/zinc/27/32/39/664273239.db2.gz TZTLIELHRXTCTH-ZYHUDNBSSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502765 664273655 /nfs/dbraw/zinc/27/36/55/664273655.db2.gz JSJJWQOVJQMCQS-KWQFWETISA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)NC1CC1 ZINC000958502765 664273657 /nfs/dbraw/zinc/27/36/57/664273657.db2.gz JSJJWQOVJQMCQS-KWQFWETISA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC000958507455 664274297 /nfs/dbraw/zinc/27/42/97/664274297.db2.gz QZZMHCZHKVUWIS-GHMZBOCLSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC000958506216 664274328 /nfs/dbraw/zinc/27/43/28/664274328.db2.gz CUAUHUKBFQZYAO-CMPLNLGQSA-N 1 1 323.353 -1.286 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507340 664274412 /nfs/dbraw/zinc/27/44/12/664274412.db2.gz OOVUGYDDZCPIHV-CABZTGNLSA-N 1 1 323.353 -1.287 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507340 664274414 /nfs/dbraw/zinc/27/44/14/664274414.db2.gz OOVUGYDDZCPIHV-CABZTGNLSA-N 1 1 323.353 -1.287 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nc2ncccn2n1 ZINC000958506432 664274528 /nfs/dbraw/zinc/27/45/28/664274528.db2.gz FELCGASFIVJVLX-NXEZZACHSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC000958506435 664274681 /nfs/dbraw/zinc/27/46/81/664274681.db2.gz FELCGASFIVJVLX-ZJUUUORDSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC000958507486 664274984 /nfs/dbraw/zinc/27/49/84/664274984.db2.gz RHNDBMBAZISPBR-ZYHUDNBSSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)N1CCCC1 ZINC000958507486 664274988 /nfs/dbraw/zinc/27/49/88/664274988.db2.gz RHNDBMBAZISPBR-ZYHUDNBSSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512245 664275436 /nfs/dbraw/zinc/27/54/36/664275436.db2.gz MZIZTDMPHRGDDR-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1)NC1CC1 ZINC000958512245 664275438 /nfs/dbraw/zinc/27/54/38/664275438.db2.gz MZIZTDMPHRGDDR-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511385 664275746 /nfs/dbraw/zinc/27/57/46/664275746.db2.gz GFFINZMZWQVTCS-KOLCDFICSA-N 1 1 309.326 -1.676 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511385 664275748 /nfs/dbraw/zinc/27/57/48/664275748.db2.gz GFFINZMZWQVTCS-KOLCDFICSA-N 1 1 309.326 -1.676 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC000958522522 664276191 /nfs/dbraw/zinc/27/61/91/664276191.db2.gz QOPNDTDYCIANQE-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n(C)n1 ZINC000958522522 664276195 /nfs/dbraw/zinc/27/61/95/664276195.db2.gz QOPNDTDYCIANQE-CABZTGNLSA-N 1 1 309.370 -1.510 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958519552 664276261 /nfs/dbraw/zinc/27/62/61/664276261.db2.gz LHIDCXDPQDDDDO-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958519552 664276264 /nfs/dbraw/zinc/27/62/64/664276264.db2.gz LHIDCXDPQDDDDO-CMPLNLGQSA-N 1 1 309.370 -1.281 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2F)C1 ZINC000958522725 664276433 /nfs/dbraw/zinc/27/64/33/664276433.db2.gz SDZPNPWITWGXRE-GXSJLCMTSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2F)C1 ZINC000958522725 664276437 /nfs/dbraw/zinc/27/64/37/664276437.db2.gz SDZPNPWITWGXRE-GXSJLCMTSA-N 1 1 310.329 -1.011 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC000958516807 664276531 /nfs/dbraw/zinc/27/65/31/664276531.db2.gz WMLBLHIOEZSPHI-VXGBXAGGSA-N 1 1 317.353 -1.209 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958551771 664277320 /nfs/dbraw/zinc/27/73/20/664277320.db2.gz NIJIOXDICWBGFP-CMPLNLGQSA-N 1 1 324.385 -1.543 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958551771 664277327 /nfs/dbraw/zinc/27/73/27/664277327.db2.gz NIJIOXDICWBGFP-CMPLNLGQSA-N 1 1 324.385 -1.543 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958526390 664277465 /nfs/dbraw/zinc/27/74/65/664277465.db2.gz PIAROPDDCYEGNQ-PSASIEDQSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958526390 664277469 /nfs/dbraw/zinc/27/74/69/664277469.db2.gz PIAROPDDCYEGNQ-PSASIEDQSA-N 1 1 309.326 -2.379 20 0 DAADMO COCc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958552326 664277542 /nfs/dbraw/zinc/27/75/42/664277542.db2.gz SLJPRIDTHKWTFY-WPRPVWTQSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958552326 664277543 /nfs/dbraw/zinc/27/75/43/664277543.db2.gz SLJPRIDTHKWTFY-WPRPVWTQSA-N 1 1 312.326 -1.671 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nnn1C(C)C ZINC000958549545 664277609 /nfs/dbraw/zinc/27/76/09/664277609.db2.gz YWZUTGPZICLKQY-QWRGUYRKSA-N 1 1 324.385 -1.325 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nnn1C(C)C ZINC000958549545 664277611 /nfs/dbraw/zinc/27/76/11/664277611.db2.gz YWZUTGPZICLKQY-QWRGUYRKSA-N 1 1 324.385 -1.325 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC000958527384 664277634 /nfs/dbraw/zinc/27/76/34/664277634.db2.gz ZXDXDOLHNRXVIW-DGCLKSJQSA-N 1 1 309.370 -1.297 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC000958558427 664277717 /nfs/dbraw/zinc/27/77/17/664277717.db2.gz DHBVADUPLCRZTP-NMKXLXIOSA-N 1 1 318.381 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525075 664277729 /nfs/dbraw/zinc/27/77/29/664277729.db2.gz FJAQORJJSAUQMM-JQWIXIFHSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525075 664277733 /nfs/dbraw/zinc/27/77/33/664277733.db2.gz FJAQORJJSAUQMM-JQWIXIFHSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958524839 664277848 /nfs/dbraw/zinc/27/78/48/664277848.db2.gz DENOBIQNXWBOIJ-JQWIXIFHSA-N 1 1 310.354 -1.482 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525839 664277859 /nfs/dbraw/zinc/27/78/59/664277859.db2.gz KOPQJWLBPDBMCR-PWSUYJOCSA-N 1 1 310.354 -1.218 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958524840 664277967 /nfs/dbraw/zinc/27/79/67/664277967.db2.gz DENOBIQNXWBOIJ-PWSUYJOCSA-N 1 1 310.354 -1.482 20 0 DAADMO COc1cccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958556081 664278038 /nfs/dbraw/zinc/27/80/38/664278038.db2.gz PGDROAZEKVBXLQ-KOLCDFICSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958556081 664278041 /nfs/dbraw/zinc/27/80/41/664278041.db2.gz PGDROAZEKVBXLQ-KOLCDFICSA-N 1 1 308.338 -1.402 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566509 664278390 /nfs/dbraw/zinc/27/83/90/664278390.db2.gz GCGYGMKIVPZYLL-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566509 664278395 /nfs/dbraw/zinc/27/83/95/664278395.db2.gz GCGYGMKIVPZYLL-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577784 664278433 /nfs/dbraw/zinc/27/84/33/664278433.db2.gz MRRXSIMBTYHBJD-AAEUAGOBSA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577784 664278435 /nfs/dbraw/zinc/27/84/35/664278435.db2.gz MRRXSIMBTYHBJD-AAEUAGOBSA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581704 664278442 /nfs/dbraw/zinc/27/84/42/664278442.db2.gz ROOQZPWPNXXTBV-RYUDHWBXSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581704 664278443 /nfs/dbraw/zinc/27/84/43/664278443.db2.gz ROOQZPWPNXXTBV-RYUDHWBXSA-N 1 1 317.349 -1.158 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958566765 664278858 /nfs/dbraw/zinc/27/88/58/664278858.db2.gz IOMGCLDMOGABQV-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958566765 664278865 /nfs/dbraw/zinc/27/88/65/664278865.db2.gz IOMGCLDMOGABQV-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571221 664278926 /nfs/dbraw/zinc/27/89/26/664278926.db2.gz SRZVOIQHNUCOPP-GXFFZTMASA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCCC3)C1 ZINC000958571221 664278934 /nfs/dbraw/zinc/27/89/34/664278934.db2.gz SRZVOIQHNUCOPP-GXFFZTMASA-N 1 1 321.381 -1.273 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)c1 ZINC000958569276 664278958 /nfs/dbraw/zinc/27/89/58/664278958.db2.gz OKSFMXMWQWGNNA-IZWKTGJZSA-N 1 1 317.349 -1.115 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958566766 664279026 /nfs/dbraw/zinc/27/90/26/664279026.db2.gz IOMGCLDMOGABQV-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958566766 664279030 /nfs/dbraw/zinc/27/90/30/664279030.db2.gz IOMGCLDMOGABQV-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)n2n1 ZINC000958588154 664279256 /nfs/dbraw/zinc/27/92/56/664279256.db2.gz PYNUOOUMEBCSLG-CMPLNLGQSA-N 1 1 320.353 -1.552 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC000958588522 664279374 /nfs/dbraw/zinc/27/93/74/664279374.db2.gz TYVGMVRSDPKXNY-PSASIEDQSA-N 1 1 322.325 -2.568 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958588211 664279392 /nfs/dbraw/zinc/27/93/92/664279392.db2.gz XKYWVAUENYSFED-CZXHOFHRSA-N 1 1 308.382 -1.747 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588195 664279450 /nfs/dbraw/zinc/27/94/50/664279450.db2.gz QHJKOYVWJVSNER-GXSJLCMTSA-N 1 1 320.353 -1.152 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958587389 664279497 /nfs/dbraw/zinc/27/94/97/664279497.db2.gz IMWJVQAEZDRNHN-ONGXEEELSA-N 1 1 320.353 -1.150 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958587333 664279570 /nfs/dbraw/zinc/27/95/70/664279570.db2.gz QFBADCURKKOPHU-NHAGDIPZSA-N 1 1 320.397 -1.306 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958587333 664279577 /nfs/dbraw/zinc/27/95/77/664279577.db2.gz QFBADCURKKOPHU-NHAGDIPZSA-N 1 1 320.397 -1.306 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958597788 664280064 /nfs/dbraw/zinc/28/00/64/664280064.db2.gz GCFSXTFENURFBK-ONGXEEELSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958597788 664280066 /nfs/dbraw/zinc/28/00/66/664280066.db2.gz GCFSXTFENURFBK-ONGXEEELSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958599394 664280671 /nfs/dbraw/zinc/28/06/71/664280671.db2.gz POFDOKGUVJUJEZ-CMPLNLGQSA-N 1 1 309.370 -1.443 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958597779 664280794 /nfs/dbraw/zinc/28/07/94/664280794.db2.gz GCFSXTFENURFBK-GXSJLCMTSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958597779 664280796 /nfs/dbraw/zinc/28/07/96/664280796.db2.gz GCFSXTFENURFBK-GXSJLCMTSA-N 1 1 322.369 -1.950 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958593866 664280813 /nfs/dbraw/zinc/28/08/13/664280813.db2.gz CBHXTNXDCDAUFY-VHSXEESVSA-N 1 1 311.338 -1.189 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958588765 664280828 /nfs/dbraw/zinc/28/08/28/664280828.db2.gz XYEKDYYZXCXJBE-WPRPVWTQSA-N 1 1 306.326 -1.540 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c1 ZINC000958594567 664281034 /nfs/dbraw/zinc/28/10/34/664281034.db2.gz JUXTVNJNYWLWKT-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c1 ZINC000958594567 664281040 /nfs/dbraw/zinc/28/10/40/664281040.db2.gz JUXTVNJNYWLWKT-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958600083 664281116 /nfs/dbraw/zinc/28/11/16/664281116.db2.gz WRUUQPCAZDHKHR-WCQYABFASA-N 1 1 322.365 -1.544 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608500 664281401 /nfs/dbraw/zinc/28/14/01/664281401.db2.gz PKWNTCXBSWZWBL-RMRHIDDWSA-N 1 1 324.425 -1.158 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958615772 664281526 /nfs/dbraw/zinc/28/15/26/664281526.db2.gz YDDHVQTVRNRQLN-COMQUAJESA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958615772 664281527 /nfs/dbraw/zinc/28/15/27/664281527.db2.gz YDDHVQTVRNRQLN-COMQUAJESA-N 1 1 322.409 -1.358 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608251 664281566 /nfs/dbraw/zinc/28/15/66/664281566.db2.gz JSAVVDSYMWONKV-CIQGVGRVSA-N 1 1 310.398 -1.501 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619664 664281949 /nfs/dbraw/zinc/28/19/49/664281949.db2.gz WYTCJFLAOFGYFQ-GXSJLCMTSA-N 1 1 320.353 -1.569 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619664 664281952 /nfs/dbraw/zinc/28/19/52/664281952.db2.gz WYTCJFLAOFGYFQ-GXSJLCMTSA-N 1 1 320.353 -1.569 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623626 664281972 /nfs/dbraw/zinc/28/19/72/664281972.db2.gz XEGAFULEXBFXHY-QWRGUYRKSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623626 664281975 /nfs/dbraw/zinc/28/19/75/664281975.db2.gz XEGAFULEXBFXHY-QWRGUYRKSA-N 1 1 322.365 -1.141 20 0 DAADMO COc1cccnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958621550 664282067 /nfs/dbraw/zinc/28/20/67/664282067.db2.gz BGAOIOFBMHOCDN-ZJUUUORDSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958621550 664282069 /nfs/dbraw/zinc/28/20/69/664282069.db2.gz BGAOIOFBMHOCDN-ZJUUUORDSA-N 1 1 308.338 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 ZINC000958619666 664282123 /nfs/dbraw/zinc/28/21/23/664282123.db2.gz WYTCJFLAOFGYFQ-MWLCHTKSSA-N 1 1 320.353 -1.569 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 ZINC000958619666 664282127 /nfs/dbraw/zinc/28/21/27/664282127.db2.gz WYTCJFLAOFGYFQ-MWLCHTKSSA-N 1 1 320.353 -1.569 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958621803 664282239 /nfs/dbraw/zinc/28/22/39/664282239.db2.gz MUWPCPZHPGDSPN-IWIIMEHWSA-N 1 1 320.353 -1.691 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958621803 664282241 /nfs/dbraw/zinc/28/22/41/664282241.db2.gz MUWPCPZHPGDSPN-IWIIMEHWSA-N 1 1 320.353 -1.691 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958625868 664282388 /nfs/dbraw/zinc/28/23/88/664282388.db2.gz MKZRJCJWTQBTIC-ONGXEEELSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958625868 664282392 /nfs/dbraw/zinc/28/23/92/664282392.db2.gz MKZRJCJWTQBTIC-ONGXEEELSA-N 1 1 309.370 -1.259 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958626992 664282463 /nfs/dbraw/zinc/28/24/63/664282463.db2.gz RFFGYPQQNNYGCU-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958626992 664282466 /nfs/dbraw/zinc/28/24/66/664282466.db2.gz RFFGYPQQNNYGCU-PSASIEDQSA-N 1 1 311.342 -2.064 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958631340 664282590 /nfs/dbraw/zinc/28/25/90/664282590.db2.gz PVBFMBGHYVPYCY-VHSXEESVSA-N 1 1 300.334 -1.118 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626245 664282733 /nfs/dbraw/zinc/28/27/33/664282733.db2.gz PRQUWJNVLOZKQG-WYOJIJJFSA-N 1 1 308.342 -1.835 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958625867 664282778 /nfs/dbraw/zinc/28/27/78/664282778.db2.gz MKZRJCJWTQBTIC-MWLCHTKSSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958625867 664282782 /nfs/dbraw/zinc/28/27/82/664282782.db2.gz MKZRJCJWTQBTIC-MWLCHTKSSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)c1N ZINC000958633225 664282838 /nfs/dbraw/zinc/28/28/38/664282838.db2.gz LLYRMCAQCHOJSC-KXNHARMFSA-N 1 1 318.381 -1.059 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958627358 664282851 /nfs/dbraw/zinc/28/28/51/664282851.db2.gz XSNDRVJNPQCDOM-IAZYJMLFSA-N 1 1 318.341 -1.678 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn(C)c2N)C1=O ZINC000958638546 664283247 /nfs/dbraw/zinc/28/32/47/664283247.db2.gz PCWNFHOFDOTOGA-WHOHXGKFSA-N 1 1 318.381 -1.107 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958638485 664283380 /nfs/dbraw/zinc/28/33/80/664283380.db2.gz OPULXLJABYUGSC-ZRUFSTJUSA-N 1 1 306.370 -1.074 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650256 664284092 /nfs/dbraw/zinc/28/40/92/664284092.db2.gz UWAVHNXKHMMRGG-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650256 664284094 /nfs/dbraw/zinc/28/40/94/664284094.db2.gz UWAVHNXKHMMRGG-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958653806 664284468 /nfs/dbraw/zinc/28/44/68/664284468.db2.gz OEEXHDIRYCSGMA-UWVGGRQHSA-N 1 1 323.353 -2.020 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC000958653276 664284561 /nfs/dbraw/zinc/28/45/61/664284561.db2.gz JHIXHNVYQMAYOE-HTQZYQBOSA-N 1 1 322.325 -2.917 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC000958653276 664284564 /nfs/dbraw/zinc/28/45/64/664284564.db2.gz JHIXHNVYQMAYOE-HTQZYQBOSA-N 1 1 322.325 -2.917 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958657528 664284737 /nfs/dbraw/zinc/28/47/37/664284737.db2.gz KBPHYBQWPKFZCP-KBPBESRZSA-N 1 1 313.398 -1.354 20 0 DAADMO CCC[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC000958665482 664285024 /nfs/dbraw/zinc/28/50/24/664285024.db2.gz AGKPUGXXCJIZSK-MWLCHTKSSA-N 1 1 310.354 -1.082 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958657529 664285310 /nfs/dbraw/zinc/28/53/10/664285310.db2.gz KBPHYBQWPKFZCP-KGLIPLIRSA-N 1 1 313.398 -1.354 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672382 664285819 /nfs/dbraw/zinc/28/58/19/664285819.db2.gz KYEVCRXYDCRGRQ-WCBMZHEXSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672382 664285825 /nfs/dbraw/zinc/28/58/25/664285825.db2.gz KYEVCRXYDCRGRQ-WCBMZHEXSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958672379 664286156 /nfs/dbraw/zinc/28/61/56/664286156.db2.gz KYEVCRXYDCRGRQ-PSASIEDQSA-N 1 1 309.326 -2.379 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666620 664286115 /nfs/dbraw/zinc/28/61/15/664286115.db2.gz NEPVRTLSRYHNNZ-WPRPVWTQSA-N 1 1 312.326 -2.499 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958672379 664286149 /nfs/dbraw/zinc/28/61/49/664286149.db2.gz KYEVCRXYDCRGRQ-PSASIEDQSA-N 1 1 309.326 -2.379 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000958666481 664286351 /nfs/dbraw/zinc/28/63/51/664286351.db2.gz LADSLEOVKCXPGX-GXSJLCMTSA-N 1 1 310.354 -1.083 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958677811 664286668 /nfs/dbraw/zinc/28/66/68/664286668.db2.gz VUKGDMQKNULRHB-ZYHUDNBSSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958677811 664286670 /nfs/dbraw/zinc/28/66/70/664286670.db2.gz VUKGDMQKNULRHB-ZYHUDNBSSA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958673839 664286748 /nfs/dbraw/zinc/28/67/48/664286748.db2.gz XLYHFINFCJAMEU-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958673839 664286751 /nfs/dbraw/zinc/28/67/51/664286751.db2.gz XLYHFINFCJAMEU-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC000958673115 664286785 /nfs/dbraw/zinc/28/67/85/664286785.db2.gz QAAMVHCLTAFUJD-ZYHUDNBSSA-N 1 1 310.354 -1.218 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)cc1=O ZINC000958676084 664287224 /nfs/dbraw/zinc/28/72/24/664287224.db2.gz TWUCJTNVZVAWFB-IWIIMEHWSA-N 1 1 318.337 -1.070 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC000958673662 664287286 /nfs/dbraw/zinc/28/72/86/664287286.db2.gz UXJLPETYAZGDHT-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccn(C)n2)[C@H](O)C1 ZINC000958673662 664287294 /nfs/dbraw/zinc/28/72/94/664287294.db2.gz UXJLPETYAZGDHT-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958713529 664287585 /nfs/dbraw/zinc/28/75/85/664287585.db2.gz DQQLGZOIOGWZJX-JQWIXIFHSA-N 1 1 322.365 -1.151 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958713530 664287613 /nfs/dbraw/zinc/28/76/13/664287613.db2.gz DQQLGZOIOGWZJX-PWSUYJOCSA-N 1 1 322.365 -1.151 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC000958697190 664287628 /nfs/dbraw/zinc/28/76/28/664287628.db2.gz KQMBDFNZSQVBSW-XQHKEYJVSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)c1csc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958726777 664288596 /nfs/dbraw/zinc/28/85/96/664288596.db2.gz AFOODQHJSZPMCU-VHSXEESVSA-N 1 1 313.379 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717766 664288621 /nfs/dbraw/zinc/28/86/21/664288621.db2.gz QYELXJQIYXCCQZ-SCZZXKLOSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717766 664288623 /nfs/dbraw/zinc/28/86/23/664288623.db2.gz QYELXJQIYXCCQZ-SCZZXKLOSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958726997 664288881 /nfs/dbraw/zinc/28/88/81/664288881.db2.gz BSIMQUZBCHZJDR-WCBMZHEXSA-N 1 1 312.330 -3.222 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958736204 664289193 /nfs/dbraw/zinc/28/91/93/664289193.db2.gz KPIDKRPTGKFOTH-GXFFZTMASA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958736204 664289195 /nfs/dbraw/zinc/28/91/95/664289195.db2.gz KPIDKRPTGKFOTH-GXFFZTMASA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n(C)c1=O ZINC000958736505 664289241 /nfs/dbraw/zinc/28/92/41/664289241.db2.gz PGVMBOUNXJKIBC-PWSUYJOCSA-N 1 1 312.370 -1.871 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958736203 664289360 /nfs/dbraw/zinc/28/93/60/664289360.db2.gz KPIDKRPTGKFOTH-GWCFXTLKSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958736203 664289364 /nfs/dbraw/zinc/28/93/64/664289364.db2.gz KPIDKRPTGKFOTH-GWCFXTLKSA-N 1 1 321.381 -1.345 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n(C)c1=O ZINC000958736506 664289409 /nfs/dbraw/zinc/28/94/09/664289409.db2.gz PGVMBOUNXJKIBC-ZYHUDNBSSA-N 1 1 312.370 -1.871 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)nn1 ZINC000958728354 664289459 /nfs/dbraw/zinc/28/94/59/664289459.db2.gz OATYTVYAUNHRRB-WPRPVWTQSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)nn1 ZINC000958728354 664289465 /nfs/dbraw/zinc/28/94/65/664289465.db2.gz OATYTVYAUNHRRB-WPRPVWTQSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)nn1 ZINC000958728353 664289504 /nfs/dbraw/zinc/28/95/04/664289504.db2.gz OATYTVYAUNHRRB-WCBMZHEXSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)nn1 ZINC000958728353 664289505 /nfs/dbraw/zinc/28/95/05/664289505.db2.gz OATYTVYAUNHRRB-WCBMZHEXSA-N 1 1 314.321 -2.245 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC000958728460 664289518 /nfs/dbraw/zinc/28/95/18/664289518.db2.gz ONAXPZPMSQWBIM-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958736880 664289602 /nfs/dbraw/zinc/28/96/02/664289602.db2.gz VKOXWQZDRABBQF-CABZTGNLSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958736882 664289673 /nfs/dbraw/zinc/28/96/73/664289673.db2.gz VKOXWQZDRABBQF-SKDRFNHKSA-N 1 1 308.338 -1.805 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958728612 664289883 /nfs/dbraw/zinc/28/98/83/664289883.db2.gz PQUUJPRQWDOYMN-CMPLNLGQSA-N 1 1 324.385 -1.558 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC000958742809 664290233 /nfs/dbraw/zinc/29/02/33/664290233.db2.gz XJEOCRCMXMRVBV-SRRSOLGSSA-N 1 1 322.365 -1.238 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC000958742810 664290307 /nfs/dbraw/zinc/29/03/07/664290307.db2.gz XJEOCRCMXMRVBV-XZUYRWCXSA-N 1 1 322.365 -1.238 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958737145 664290400 /nfs/dbraw/zinc/29/04/00/664290400.db2.gz XVNXKVKIPKQAGH-PWSUYJOCSA-N 1 1 312.370 -1.607 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958737710 664290457 /nfs/dbraw/zinc/29/04/57/664290457.db2.gz KHHVQSYYARCPBM-ZRUFSTJUSA-N 1 1 306.326 -1.567 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744711 664291029 /nfs/dbraw/zinc/29/10/29/664291029.db2.gz UEDJHMJLJXANSO-AAEUAGOBSA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 ZINC000958744305 664291067 /nfs/dbraw/zinc/29/10/67/664291067.db2.gz KLSPSLQYCZPQJZ-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 ZINC000958744305 664291069 /nfs/dbraw/zinc/29/10/69/664291069.db2.gz KLSPSLQYCZPQJZ-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000958747352 664291675 /nfs/dbraw/zinc/29/16/75/664291675.db2.gz VIKMWKSNGFKUDM-YTWAJWBKSA-N 1 1 306.326 -1.530 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC000958747352 664291676 /nfs/dbraw/zinc/29/16/76/664291676.db2.gz VIKMWKSNGFKUDM-YTWAJWBKSA-N 1 1 306.326 -1.530 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958748998 664291686 /nfs/dbraw/zinc/29/16/86/664291686.db2.gz UTWRMHMDQBLPON-KOLCDFICSA-N 1 1 323.353 -1.321 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958748998 664291689 /nfs/dbraw/zinc/29/16/89/664291689.db2.gz UTWRMHMDQBLPON-KOLCDFICSA-N 1 1 323.353 -1.321 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958749243 664291699 /nfs/dbraw/zinc/29/16/99/664291699.db2.gz VQYUFLNOTSBZLR-PWSUYJOCSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958748271 664291733 /nfs/dbraw/zinc/29/17/33/664291733.db2.gz KKTPWLNFRYLYGD-AAEUAGOBSA-N 1 1 322.365 -1.415 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958748206 664291738 /nfs/dbraw/zinc/29/17/38/664291738.db2.gz JHEWHQRZACABPQ-YPMHNXCESA-N 1 1 322.365 -1.151 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958757379 664292042 /nfs/dbraw/zinc/29/20/42/664292042.db2.gz BBRJUYJFWCQKNC-VWYCJHECSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958757379 664292045 /nfs/dbraw/zinc/29/20/45/664292045.db2.gz BBRJUYJFWCQKNC-VWYCJHECSA-N 1 1 322.369 -1.457 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1C ZINC000958758627 664292283 /nfs/dbraw/zinc/29/22/83/664292283.db2.gz LCPZAQXYKUSTDL-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1C ZINC000958758627 664292286 /nfs/dbraw/zinc/29/22/86/664292286.db2.gz LCPZAQXYKUSTDL-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958762179 664292335 /nfs/dbraw/zinc/29/23/35/664292335.db2.gz FSVXYEANAMCTCT-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1C ZINC000958758630 664292346 /nfs/dbraw/zinc/29/23/46/664292346.db2.gz LCPZAQXYKUSTDL-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1C ZINC000958758630 664292348 /nfs/dbraw/zinc/29/23/48/664292348.db2.gz LCPZAQXYKUSTDL-ZWNOBZJWSA-N 1 1 323.397 -1.249 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000958760921 664292368 /nfs/dbraw/zinc/29/23/68/664292368.db2.gz SENNUDOHNCEZDY-ZRUFSTJUSA-N 1 1 304.354 -1.294 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)nn1 ZINC000958773717 664292587 /nfs/dbraw/zinc/29/25/87/664292587.db2.gz CQJRBLKNCNHCEE-IAZYJMLFSA-N 1 1 302.342 -1.233 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958771539 664292831 /nfs/dbraw/zinc/29/28/31/664292831.db2.gz ZTWYRWWRJFSSSA-MNOVXSKESA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958771539 664292834 /nfs/dbraw/zinc/29/28/34/664292834.db2.gz ZTWYRWWRJFSSSA-MNOVXSKESA-N 1 1 322.365 -1.012 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958773369 664292904 /nfs/dbraw/zinc/29/29/04/664292904.db2.gz JZTSQWDQLHIGKE-DGCLKSJQSA-N 1 1 322.365 -1.415 20 0 DAADMO Cn1nnc2cccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC000958770304 664292974 /nfs/dbraw/zinc/29/29/74/664292974.db2.gz NXPKFOCXOHQACN-MFKMUULPSA-N 1 1 319.365 -1.017 20 0 DAADMO Cn1nnc2cccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC000958770303 664292984 /nfs/dbraw/zinc/29/29/84/664292984.db2.gz NXPKFOCXOHQACN-GXFFZTMASA-N 1 1 319.365 -1.017 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958771540 664293023 /nfs/dbraw/zinc/29/30/23/664293023.db2.gz ZTWYRWWRJFSSSA-QWRGUYRKSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958771540 664293025 /nfs/dbraw/zinc/29/30/25/664293025.db2.gz ZTWYRWWRJFSSSA-QWRGUYRKSA-N 1 1 322.365 -1.012 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958785040 664293303 /nfs/dbraw/zinc/29/33/03/664293303.db2.gz IGKCGJTZHYOGMY-LPEHRKFASA-N 1 1 314.342 -3.168 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958785040 664293305 /nfs/dbraw/zinc/29/33/05/664293305.db2.gz IGKCGJTZHYOGMY-LPEHRKFASA-N 1 1 314.342 -3.168 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)[nH]1 ZINC000958816287 664293800 /nfs/dbraw/zinc/29/38/00/664293800.db2.gz KZZGCZZVLAMHOH-MSRIBSCDSA-N 1 1 306.370 -1.210 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC000958816279 664293876 /nfs/dbraw/zinc/29/38/76/664293876.db2.gz KTNSQGCGPRTZTG-HBYGRHMLSA-N 1 1 318.381 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)[nH]1 ZINC000958816279 664293878 /nfs/dbraw/zinc/29/38/78/664293878.db2.gz KTNSQGCGPRTZTG-HBYGRHMLSA-N 1 1 318.381 -1.019 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncc[nH]1 ZINC000958809843 664293903 /nfs/dbraw/zinc/29/39/03/664293903.db2.gz WPWONAIBSCWEBB-LOKLDPHHSA-N 1 1 303.322 -1.125 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000958788072 664293935 /nfs/dbraw/zinc/29/39/35/664293935.db2.gz SNWHOBMSPKGFJS-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)n1 ZINC000958788072 664293938 /nfs/dbraw/zinc/29/39/38/664293938.db2.gz SNWHOBMSPKGFJS-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000958850768 664296251 /nfs/dbraw/zinc/29/62/51/664296251.db2.gz OJJMBMGDFFTDNF-RYUDHWBXSA-N 1 1 310.354 -1.132 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC000958860011 664297371 /nfs/dbraw/zinc/29/73/71/664297371.db2.gz WNDDUMUVIPUOFO-ZNSHCXBVSA-N 1 1 312.370 -2.158 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958887916 664298553 /nfs/dbraw/zinc/29/85/53/664298553.db2.gz QDRQNJWBVJQART-SRVKXCTJSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958887916 664298555 /nfs/dbraw/zinc/29/85/55/664298555.db2.gz QDRQNJWBVJQART-SRVKXCTJSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958896420 664299552 /nfs/dbraw/zinc/29/95/52/664299552.db2.gz YXQXGEKYMLFOSW-VWYCJHECSA-N 1 1 312.370 -2.156 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958922419 664300965 /nfs/dbraw/zinc/30/09/65/664300965.db2.gz RNSHQYYELPBWAX-VWYCJHECSA-N 1 1 322.369 -1.600 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)CC[N@H+]1C ZINC000958943657 664303747 /nfs/dbraw/zinc/30/37/47/664303747.db2.gz DZTDHPSCHSFRFC-ZNSHCXBVSA-N 1 1 312.370 -2.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC000959845087 664311556 /nfs/dbraw/zinc/31/15/56/664311556.db2.gz IEMKZNWTGVGDMS-PZWLIILKSA-N 1 1 306.370 -1.163 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC000959864244 664312206 /nfs/dbraw/zinc/31/22/06/664312206.db2.gz DAHZSLIRZXAUJE-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000959867177 664312266 /nfs/dbraw/zinc/31/22/66/664312266.db2.gz QNFBLQLLIMCWBB-KZVDOYCCSA-N 1 1 303.366 -1.103 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC000959864294 664312392 /nfs/dbraw/zinc/31/23/92/664312392.db2.gz DWIWGUKUKCMQSC-JTQLQIEISA-N 1 1 320.361 -1.633 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(C)n1 ZINC000959876380 664312620 /nfs/dbraw/zinc/31/26/20/664312620.db2.gz YLQPFPBWCLGCSW-IMRBUKKESA-N 1 1 321.381 -1.017 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(C)n1 ZINC000959876380 664312622 /nfs/dbraw/zinc/31/26/22/664312622.db2.gz YLQPFPBWCLGCSW-IMRBUKKESA-N 1 1 321.381 -1.017 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000959892224 664312788 /nfs/dbraw/zinc/31/27/88/664312788.db2.gz HDKAVLDCIMTPOI-IWIIMEHWSA-N 1 1 305.342 -2.048 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)nn1 ZINC000959880693 664312879 /nfs/dbraw/zinc/31/28/79/664312879.db2.gz QQCGRYUTYQOIER-MEWQQHAOSA-N 1 1 309.370 -1.035 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959897186 664313341 /nfs/dbraw/zinc/31/33/41/664313341.db2.gz VSBQVEATRWYWKD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959904153 664313587 /nfs/dbraw/zinc/31/35/87/664313587.db2.gz VYKRWQGVCRFXTI-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959970072 664314093 /nfs/dbraw/zinc/31/40/93/664314093.db2.gz ZFBFEUDXWUFELG-VROVMSAKSA-N 1 1 321.341 -2.831 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959970072 664314097 /nfs/dbraw/zinc/31/40/97/664314097.db2.gz ZFBFEUDXWUFELG-VROVMSAKSA-N 1 1 321.341 -2.831 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959969321 664314105 /nfs/dbraw/zinc/31/41/05/664314105.db2.gz VWOGBGDUEHVJJE-SVDPJWKOSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967353 664314181 /nfs/dbraw/zinc/31/41/81/664314181.db2.gz PADGXFAMYTYEHR-ODXREFDESA-N 1 1 321.341 -2.703 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967353 664314185 /nfs/dbraw/zinc/31/41/85/664314185.db2.gz PADGXFAMYTYEHR-ODXREFDESA-N 1 1 321.341 -2.703 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959968014 664314193 /nfs/dbraw/zinc/31/41/93/664314193.db2.gz QIBPCGFXBZGDOD-UXCLJVHYSA-N 1 1 322.369 -1.542 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960104380 664315070 /nfs/dbraw/zinc/31/50/70/664315070.db2.gz HXGFVPHXLDXKFD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960104380 664315075 /nfs/dbraw/zinc/31/50/75/664315075.db2.gz HXGFVPHXLDXKFD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960074172 664315362 /nfs/dbraw/zinc/31/53/62/664315362.db2.gz PHTNTIRAEIDEJB-SNXWAXQRSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960074172 664315367 /nfs/dbraw/zinc/31/53/67/664315367.db2.gz PHTNTIRAEIDEJB-SNXWAXQRSA-N 1 1 315.337 -1.342 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000960108540 664315499 /nfs/dbraw/zinc/31/54/99/664315499.db2.gz DIYXDBDMMMECET-MPXOCVNLSA-N 1 1 318.337 -1.870 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960110156 664315725 /nfs/dbraw/zinc/31/57/25/664315725.db2.gz IZPNWIJTNSDMKF-DCQANWLSSA-N 1 1 306.370 -1.199 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960107904 664315729 /nfs/dbraw/zinc/31/57/29/664315729.db2.gz ZDRDUKQWVYEAPC-WUWHUORYSA-N 1 1 318.381 -1.008 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000960110158 664315801 /nfs/dbraw/zinc/31/58/01/664315801.db2.gz IZPNWIJTNSDMKF-MEWQQHAOSA-N 1 1 306.370 -1.199 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC000960115119 664315825 /nfs/dbraw/zinc/31/58/25/664315825.db2.gz NOPKLXRGZBLRGO-VHSXEESVSA-N 1 1 322.373 -1.638 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960140379 664316081 /nfs/dbraw/zinc/31/60/81/664316081.db2.gz YSXXWSARESECRV-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960140373 664316090 /nfs/dbraw/zinc/31/60/90/664316090.db2.gz YSXXWSARESECRV-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000960138583 664316194 /nfs/dbraw/zinc/31/61/94/664316194.db2.gz ZPEZOQXYOKUZLX-AXFHLTTASA-N 1 1 321.385 -1.198 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1=O ZINC000960168275 664316531 /nfs/dbraw/zinc/31/65/31/664316531.db2.gz RWUUWYIFXCDSSZ-CIQGVGRVSA-N 1 1 311.382 -1.480 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1C(=O)CCC1=O ZINC000960159789 664316708 /nfs/dbraw/zinc/31/67/08/664316708.db2.gz BEHQMDOZYXYFBE-PUHVVEEASA-N 1 1 309.366 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000960166144 664316734 /nfs/dbraw/zinc/31/67/34/664316734.db2.gz LRTCKKDFIOHFQG-LFNDISMMSA-N 1 1 322.365 -1.684 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000960166144 664316737 /nfs/dbraw/zinc/31/67/37/664316737.db2.gz LRTCKKDFIOHFQG-LFNDISMMSA-N 1 1 322.365 -1.684 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1=O ZINC000960166120 664316768 /nfs/dbraw/zinc/31/67/68/664316768.db2.gz LEAIQJIHVVQBOW-NYMYIZQJSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1=O ZINC000960166120 664316771 /nfs/dbraw/zinc/31/67/71/664316771.db2.gz LEAIQJIHVVQBOW-NYMYIZQJSA-N 1 1 320.393 -1.210 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000960168746 664317176 /nfs/dbraw/zinc/31/71/76/664317176.db2.gz UJLLEMNHKJSCDW-KZWBYHQPSA-N 1 1 308.382 -1.401 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000960172321 664317233 /nfs/dbraw/zinc/31/72/33/664317233.db2.gz DCVWVLGFJLRHHA-YABSGUDNSA-N 1 1 322.365 -1.760 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC000960209363 664317552 /nfs/dbraw/zinc/31/75/52/664317552.db2.gz DLWYGPJHKMRTCO-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000960187679 664317586 /nfs/dbraw/zinc/31/75/86/664317586.db2.gz XXTSUCJLECJKCO-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1=O ZINC000960187679 664317588 /nfs/dbraw/zinc/31/75/88/664317588.db2.gz XXTSUCJLECJKCO-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1ncnn1 ZINC000960268140 664317830 /nfs/dbraw/zinc/31/78/30/664317830.db2.gz QVMYZTZMYJNDSV-BXUZGUMPSA-N 1 1 315.337 -1.470 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000960310613 664318387 /nfs/dbraw/zinc/31/83/87/664318387.db2.gz SJPIJLBMUJVGOF-BBGACYKPSA-N 1 1 322.365 -2.220 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC000960293763 664318414 /nfs/dbraw/zinc/31/84/14/664318414.db2.gz SJHOGPAUCYXMQJ-OUCADQQQSA-N 1 1 316.361 -1.020 20 0 DAADMO NC(=O)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000960300230 664318519 /nfs/dbraw/zinc/31/85/19/664318519.db2.gz VWRXHRRJCIHLLV-NTZNESFSSA-N 1 1 317.349 -1.475 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298697 664318718 /nfs/dbraw/zinc/31/87/18/664318718.db2.gz VBFYGSVCLQAZBZ-VROVMSAKSA-N 1 1 301.310 -1.502 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298697 664318719 /nfs/dbraw/zinc/31/87/19/664318719.db2.gz VBFYGSVCLQAZBZ-VROVMSAKSA-N 1 1 301.310 -1.502 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000960346570 664319018 /nfs/dbraw/zinc/31/90/18/664319018.db2.gz ZKENPOIOKRHNCA-IZWKTGJZSA-N 1 1 317.349 -1.671 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960327004 664319263 /nfs/dbraw/zinc/31/92/63/664319263.db2.gz HQAHJYGRLHGFCM-DNJQJEMRSA-N 1 1 319.365 -1.425 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000960346572 664319288 /nfs/dbraw/zinc/31/92/88/664319288.db2.gz ZKENPOIOKRHNCA-PFWNZEGQSA-N 1 1 317.349 -1.671 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC000960411374 664320086 /nfs/dbraw/zinc/32/00/86/664320086.db2.gz WEGYLTKSZGTEMT-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1cnnn1)[C@H]1CCCNC1=O ZINC000960405399 664320211 /nfs/dbraw/zinc/32/02/11/664320211.db2.gz DJFDQCNSKKKYSJ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC000960413826 664320235 /nfs/dbraw/zinc/32/02/35/664320235.db2.gz QLOOKVBGHPXMJO-BXSSEVMYSA-N 1 1 305.338 -1.023 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN2C(=O)Cn2cnnn2)C1=O ZINC000960406061 664320392 /nfs/dbraw/zinc/32/03/92/664320392.db2.gz GODXJXRLZVTZFK-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC000960446882 664320934 /nfs/dbraw/zinc/32/09/34/664320934.db2.gz SUXARIMNDFTAED-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)c(=O)[nH]c1C ZINC000960511422 664321129 /nfs/dbraw/zinc/32/11/29/664321129.db2.gz XCTSROXMJQKVRP-ZNSHCXBVSA-N 1 1 319.365 -1.079 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CC(N)=O)[C@H]1CCC(=O)NC1=O ZINC000960501327 664321224 /nfs/dbraw/zinc/32/12/24/664321224.db2.gz VNFPKPHGTDGLQT-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC2(C1)CS(=O)(=O)C2 ZINC000960549209 664321571 /nfs/dbraw/zinc/32/15/71/664321571.db2.gz NPFXHCSGBQJDQX-GDNZZTSVSA-N 1 1 314.407 -1.150 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1C ZINC000960520455 664321594 /nfs/dbraw/zinc/32/15/94/664321594.db2.gz PPKAOCXDELFLKI-JZYVYDRUSA-N 1 1 305.338 -1.468 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1C ZINC000960520455 664321596 /nfs/dbraw/zinc/32/15/96/664321596.db2.gz PPKAOCXDELFLKI-JZYVYDRUSA-N 1 1 305.338 -1.468 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000960621333 664321948 /nfs/dbraw/zinc/32/19/48/664321948.db2.gz JTNTYMHVBDUVNI-FJJYHAOUSA-N 1 1 322.409 -1.011 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960648844 664322205 /nfs/dbraw/zinc/32/22/05/664322205.db2.gz CAMGXPRSABPWKV-BCUIYNNISA-N 1 1 324.425 -1.158 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1CCC2N=NC(=O)N2C1 ZINC000960649965 664322276 /nfs/dbraw/zinc/32/22/76/664322276.db2.gz DRLVFWFBWIRLJQ-MEWQQHAOSA-N 1 1 321.381 -1.025 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nc1COC ZINC000960640737 664322342 /nfs/dbraw/zinc/32/23/42/664322342.db2.gz CRMRASXWPKYBTN-MSRIBSCDSA-N 1 1 321.381 -1.028 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nc1COC ZINC000960640737 664322344 /nfs/dbraw/zinc/32/23/44/664322344.db2.gz CRMRASXWPKYBTN-MSRIBSCDSA-N 1 1 321.381 -1.028 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)c1=O ZINC000960646681 664322392 /nfs/dbraw/zinc/32/23/92/664322392.db2.gz JICFUJNBDJIPFK-NMKXLXIOSA-N 1 1 321.381 -1.335 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1=O ZINC000960647225 664322435 /nfs/dbraw/zinc/32/24/35/664322435.db2.gz LCWWOCSJBXAQCM-KLBPJQLPSA-N 1 1 320.353 -2.483 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960647996 664322613 /nfs/dbraw/zinc/32/26/13/664322613.db2.gz MYQHGDYJEKAORP-IWIIMEHWSA-N 1 1 322.369 -2.284 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCC2N=NC(=O)N2C1 ZINC000960654740 664322904 /nfs/dbraw/zinc/32/29/04/664322904.db2.gz LTUFEMOIDYEWRY-UXCLJVHYSA-N 1 1 307.354 -1.415 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1cn[nH]n1 ZINC000960718130 664323440 /nfs/dbraw/zinc/32/34/40/664323440.db2.gz AITHYKXNNRRCGM-DCQANWLSSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1cnn[nH]1 ZINC000960718130 664323442 /nfs/dbraw/zinc/32/34/42/664323442.db2.gz AITHYKXNNRRCGM-DCQANWLSSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1cnn[nH]1 ZINC000960718130 664323446 /nfs/dbraw/zinc/32/34/46/664323446.db2.gz AITHYKXNNRRCGM-DCQANWLSSA-N 1 1 317.353 -1.278 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960779732 664324312 /nfs/dbraw/zinc/32/43/12/664324312.db2.gz ZYDPPSVYJYGRQG-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 ZINC000960798041 664324733 /nfs/dbraw/zinc/32/47/33/664324733.db2.gz BHBXVWDWXHELLI-IAZYJMLFSA-N 1 1 305.338 -1.189 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 ZINC000960798041 664324735 /nfs/dbraw/zinc/32/47/35/664324735.db2.gz BHBXVWDWXHELLI-IAZYJMLFSA-N 1 1 305.338 -1.189 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960833456 664325359 /nfs/dbraw/zinc/32/53/59/664325359.db2.gz WTPSBXZKUHXGBU-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960833456 664325360 /nfs/dbraw/zinc/32/53/60/664325360.db2.gz WTPSBXZKUHXGBU-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960863098 664327190 /nfs/dbraw/zinc/32/71/90/664327190.db2.gz HXRCGGWQJMUPLN-IWIIMEHWSA-N 1 1 308.338 -1.358 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1)C1CCC1 ZINC000960871697 664327530 /nfs/dbraw/zinc/32/75/30/664327530.db2.gz ZLDFCTIJVDFGHI-NWDGAFQWSA-N 1 1 324.381 -1.606 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000960901478 664328135 /nfs/dbraw/zinc/32/81/35/664328135.db2.gz RAXJBGFUQYKSDJ-SVDPJWKOSA-N 1 1 309.370 -1.691 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000960901478 664328137 /nfs/dbraw/zinc/32/81/37/664328137.db2.gz RAXJBGFUQYKSDJ-SVDPJWKOSA-N 1 1 309.370 -1.691 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CCn1cnnn1)[C@@H]1CCNC1=O ZINC000960936491 664328318 /nfs/dbraw/zinc/32/83/18/664328318.db2.gz CMFRSVHUCXAFOP-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960952436 664328690 /nfs/dbraw/zinc/32/86/90/664328690.db2.gz BMWZDQOCMBUZHL-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 ZINC000961001427 664329146 /nfs/dbraw/zinc/32/91/46/664329146.db2.gz GZCVLLSOOJESEY-WOFXILAISA-N 1 1 305.338 -1.189 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 ZINC000961001427 664329147 /nfs/dbraw/zinc/32/91/47/664329147.db2.gz GZCVLLSOOJESEY-WOFXILAISA-N 1 1 305.338 -1.189 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)O1 ZINC000961098258 664332257 /nfs/dbraw/zinc/33/22/57/664332257.db2.gz AUOIGKFROJAWLR-FOUMNBMASA-N 1 1 311.382 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C3CC3)[C@@H](O)C2)O1 ZINC000961098258 664332260 /nfs/dbraw/zinc/33/22/60/664332260.db2.gz AUOIGKFROJAWLR-FOUMNBMASA-N 1 1 311.382 -1.197 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)C1 ZINC000961161579 664334101 /nfs/dbraw/zinc/33/41/01/664334101.db2.gz HNMBOAUDBCBSNE-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C2)C1 ZINC000961161579 664334103 /nfs/dbraw/zinc/33/41/03/664334103.db2.gz HNMBOAUDBCBSNE-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961195130 664334634 /nfs/dbraw/zinc/33/46/34/664334634.db2.gz KDZOXLZGRHCYGZ-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961220740 664335086 /nfs/dbraw/zinc/33/50/86/664335086.db2.gz NVYISIHFTLNHSL-TXEJJXNPSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961220413 664335276 /nfs/dbraw/zinc/33/52/76/664335276.db2.gz LHEOYVXRCIZEGR-NDBYEHHHSA-N 1 1 322.409 -1.024 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC000961221024 664335317 /nfs/dbraw/zinc/33/53/17/664335317.db2.gz UYNSHRVTUDXLKN-WDEREUQCSA-N 1 1 321.385 -1.131 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961220407 664335331 /nfs/dbraw/zinc/33/53/31/664335331.db2.gz LEXNZNZYDYOGMD-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961247206 664335671 /nfs/dbraw/zinc/33/56/71/664335671.db2.gz YVBAXLDFSWYFLX-AXFHLTTASA-N 1 1 310.354 -2.281 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961247206 664335673 /nfs/dbraw/zinc/33/56/73/664335673.db2.gz YVBAXLDFSWYFLX-AXFHLTTASA-N 1 1 310.354 -2.281 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC000961260281 664335999 /nfs/dbraw/zinc/33/59/99/664335999.db2.gz MLYIRPYBZSTITG-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961276469 664336564 /nfs/dbraw/zinc/33/65/64/664336564.db2.gz GFFCSBPIRCGFLS-QISWUMQESA-N 1 1 319.365 -1.425 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)ncc1=O ZINC000961263464 664336590 /nfs/dbraw/zinc/33/65/90/664336590.db2.gz JGWSWZGHFMBXFV-IZWKTGJZSA-N 1 1 317.349 -1.671 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961277853 664336602 /nfs/dbraw/zinc/33/66/02/664336602.db2.gz GNGPTSKDUYYEOE-TUQRTLLNSA-N 1 1 320.393 -1.619 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC000961312481 664336933 /nfs/dbraw/zinc/33/69/33/664336933.db2.gz MCNDEOAIHYHSAO-VWFLFCASSA-N 1 1 308.382 -1.353 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961326501 664337041 /nfs/dbraw/zinc/33/70/41/664337041.db2.gz UUQBHZAUTAPHQB-PUHVVEEASA-N 1 1 318.381 -1.319 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961326501 664337045 /nfs/dbraw/zinc/33/70/45/664337045.db2.gz UUQBHZAUTAPHQB-PUHVVEEASA-N 1 1 318.381 -1.319 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000961317962 664337123 /nfs/dbraw/zinc/33/71/23/664337123.db2.gz FYJIDFKXYWBXAJ-LRYQHZMXSA-N 1 1 309.366 -1.430 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000961317962 664337126 /nfs/dbraw/zinc/33/71/26/664337126.db2.gz FYJIDFKXYWBXAJ-LRYQHZMXSA-N 1 1 309.366 -1.430 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961352243 664337541 /nfs/dbraw/zinc/33/75/41/664337541.db2.gz XZIAXWFYSYBPOI-MEWQQHAOSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961352243 664337543 /nfs/dbraw/zinc/33/75/43/664337543.db2.gz XZIAXWFYSYBPOI-MEWQQHAOSA-N 1 1 302.396 -1.008 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC000961443671 664340481 /nfs/dbraw/zinc/34/04/81/664340481.db2.gz IKMUFCVSRXVTSX-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC000961451403 664341711 /nfs/dbraw/zinc/34/17/11/664341711.db2.gz GPZRZAXAWAZBMV-MEWQQHAOSA-N 1 1 306.366 -1.599 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000961450439 664341747 /nfs/dbraw/zinc/34/17/47/664341747.db2.gz CYSDRKPGJZMHHR-WUHRBBMRSA-N 1 1 318.381 -1.020 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000961450439 664341750 /nfs/dbraw/zinc/34/17/50/664341750.db2.gz CYSDRKPGJZMHHR-WUHRBBMRSA-N 1 1 318.381 -1.020 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC000961465717 664342301 /nfs/dbraw/zinc/34/23/01/664342301.db2.gz IUIBNYKTLRLWJF-NNYUYHANSA-N 1 1 321.381 -1.806 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961463268 664342376 /nfs/dbraw/zinc/34/23/76/664342376.db2.gz AEJWQRRLKPDBGC-FJJYHAOUSA-N 1 1 310.398 -1.501 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)C(=O)N2)cn1 ZINC000961471894 664342799 /nfs/dbraw/zinc/34/27/99/664342799.db2.gz WBMAMEYHIUXYCC-QNWHQSFQSA-N 1 1 318.381 -1.010 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)cn1 ZINC000961468047 664342818 /nfs/dbraw/zinc/34/28/18/664342818.db2.gz CRWXACDDZAXAAA-UHTWSYAYSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000961472943 664342909 /nfs/dbraw/zinc/34/29/09/664342909.db2.gz XMWMSJKARKYALH-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000961474891 664342920 /nfs/dbraw/zinc/34/29/20/664342920.db2.gz CKRSVIDMDRIZBK-KLBPJQLPSA-N 1 1 309.370 -1.855 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961482324 664343403 /nfs/dbraw/zinc/34/34/03/664343403.db2.gz USDVOJHYASHKNU-DEKYYXRVSA-N 1 1 321.381 -2.647 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961477692 664343554 /nfs/dbraw/zinc/34/35/54/664343554.db2.gz IIJYQLRGXWYKDU-DNJQJEMRSA-N 1 1 309.370 -2.662 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961477692 664343558 /nfs/dbraw/zinc/34/35/58/664343558.db2.gz IIJYQLRGXWYKDU-DNJQJEMRSA-N 1 1 309.370 -2.662 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000961495752 664343785 /nfs/dbraw/zinc/34/37/85/664343785.db2.gz CMLKMEBZLXEHBC-QCLAVDOMSA-N 1 1 305.342 -1.899 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC000961497732 664343838 /nfs/dbraw/zinc/34/38/38/664343838.db2.gz LTZROOCZRRIAIB-KZVDOYCCSA-N 1 1 318.381 -1.018 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC000961497732 664343841 /nfs/dbraw/zinc/34/38/41/664343841.db2.gz LTZROOCZRRIAIB-KZVDOYCCSA-N 1 1 318.381 -1.018 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961499513 664343897 /nfs/dbraw/zinc/34/38/97/664343897.db2.gz RUQPQEFQTHRGBJ-IMSYWVGJSA-N 1 1 307.358 -1.653 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000961506979 664344174 /nfs/dbraw/zinc/34/41/74/664344174.db2.gz SVDZXHVGXNOGEL-PYHGXSLLSA-N 1 1 319.325 -2.325 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961502203 664344292 /nfs/dbraw/zinc/34/42/92/664344292.db2.gz DBGWUIMQFBROOA-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961502203 664344295 /nfs/dbraw/zinc/34/42/95/664344295.db2.gz DBGWUIMQFBROOA-URLYPYJESA-N 1 1 302.342 -1.196 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)n1 ZINC000961506977 664344345 /nfs/dbraw/zinc/34/43/45/664344345.db2.gz SVDZXHVGXNOGEL-JIOCBJNQSA-N 1 1 319.325 -2.325 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnn(C)n2)C1=O ZINC000961501583 664344485 /nfs/dbraw/zinc/34/44/85/664344485.db2.gz YNVCBDHLPFNMOF-YTWAJWBKSA-N 1 1 319.369 -1.509 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)n1 ZINC000961509879 664344909 /nfs/dbraw/zinc/34/49/09/664344909.db2.gz ZTSHMGCNHLDUAD-IAZYJMLFSA-N 1 1 319.369 -1.508 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCCC4)C[C@H]32)n1 ZINC000961509879 664344914 /nfs/dbraw/zinc/34/49/14/664344914.db2.gz ZTSHMGCNHLDUAD-IAZYJMLFSA-N 1 1 319.369 -1.508 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)Cn3cnnn3)C2)n1 ZINC000961530437 664345447 /nfs/dbraw/zinc/34/54/47/664345447.db2.gz PFHGBHKFOORVHX-UHFFFAOYSA-N 1 1 306.334 -2.119 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1=O ZINC000961536372 664345462 /nfs/dbraw/zinc/34/54/62/664345462.db2.gz GDQDNLYXJADDFC-NMKXLXIOSA-N 1 1 320.393 -1.257 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1=O ZINC000961548487 664346044 /nfs/dbraw/zinc/34/60/44/664346044.db2.gz GKDOJGWWILQFDO-NDBYEHHHSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1 ZINC000961557487 664346328 /nfs/dbraw/zinc/34/63/28/664346328.db2.gz NXSIWJCDOHYLRH-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000961580625 664347214 /nfs/dbraw/zinc/34/72/14/664347214.db2.gz FWFSALBHFKVLPX-ZAZJYDDPSA-N 1 1 320.393 -1.114 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3COCCO3)C2)n1 ZINC000961570191 664347261 /nfs/dbraw/zinc/34/72/61/664347261.db2.gz BWGSRBMCZPEROB-VQXHTEKXSA-N 1 1 310.358 -1.390 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961603771 664347638 /nfs/dbraw/zinc/34/76/38/664347638.db2.gz YTQAHXSTKPPWQQ-MSRIBSCDSA-N 1 1 320.349 -1.287 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961603771 664347641 /nfs/dbraw/zinc/34/76/41/664347641.db2.gz YTQAHXSTKPPWQQ-MSRIBSCDSA-N 1 1 320.349 -1.287 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961602882 664347908 /nfs/dbraw/zinc/34/79/08/664347908.db2.gz VYSSQMHZMPCCBS-UFAOYGAJSA-N 1 1 320.349 -1.159 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1CC(N)=O ZINC000961602882 664347909 /nfs/dbraw/zinc/34/79/09/664347909.db2.gz VYSSQMHZMPCCBS-UFAOYGAJSA-N 1 1 320.349 -1.159 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC000961626028 664348372 /nfs/dbraw/zinc/34/83/72/664348372.db2.gz FVZKGGQUWVPBLT-XZUYRWCXSA-N 1 1 321.381 -1.665 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961628219 664348518 /nfs/dbraw/zinc/34/85/18/664348518.db2.gz KPCUQPRILJBVMT-XQHKEYJVSA-N 1 1 318.381 -1.310 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)cn1 ZINC000961629431 664348792 /nfs/dbraw/zinc/34/87/92/664348792.db2.gz OLUNLNDBJZQWGX-KXNHARMFSA-N 1 1 304.354 -1.352 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)C1=O ZINC000961628731 664348962 /nfs/dbraw/zinc/34/89/62/664348962.db2.gz VTQOPQKDZDAOQH-PFWNZEGQSA-N 1 1 317.349 -1.339 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961633214 664348995 /nfs/dbraw/zinc/34/89/95/664348995.db2.gz XCRWDDAGNTUGQY-YTWAJWBKSA-N 1 1 322.369 -2.261 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)cn1 ZINC000961628857 664349011 /nfs/dbraw/zinc/34/90/11/664349011.db2.gz MZVZFCYTYSXQFV-XQHKEYJVSA-N 1 1 318.381 -1.310 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC000961633526 664349369 /nfs/dbraw/zinc/34/93/69/664349369.db2.gz ZAWGKSPZCFUMSN-XZUYRWCXSA-N 1 1 321.381 -1.663 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC000961633786 664349428 /nfs/dbraw/zinc/34/94/28/664349428.db2.gz DVWNXEFGULPXSZ-UDNWOFFPSA-N 1 1 307.358 -1.527 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961633300 664349511 /nfs/dbraw/zinc/34/95/11/664349511.db2.gz XWLMHQAIAMTKBF-KXNHARMFSA-N 1 1 304.354 -1.389 20 0 DAADMO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000961640960 664350101 /nfs/dbraw/zinc/35/01/01/664350101.db2.gz QRURZBHKGYKFCY-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000961640960 664350102 /nfs/dbraw/zinc/35/01/02/664350102.db2.gz QRURZBHKGYKFCY-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000961660900 664351217 /nfs/dbraw/zinc/35/12/17/664351217.db2.gz UCDITPCOSSIECT-XBWDGYHZSA-N 1 1 324.337 -2.972 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC000961655789 664351273 /nfs/dbraw/zinc/35/12/73/664351273.db2.gz LUKIDUAKDDVJKA-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO Cc1c(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)nnn1C ZINC000961670702 664351817 /nfs/dbraw/zinc/35/18/17/664351817.db2.gz ZLZGTOFFMJDAOA-UHFFFAOYSA-N 1 1 319.373 -1.055 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC000961694654 664352936 /nfs/dbraw/zinc/35/29/36/664352936.db2.gz PFAVXTWRBMBKKM-UTUOFQBUSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC000961741775 664354772 /nfs/dbraw/zinc/35/47/72/664354772.db2.gz FAURNDATFAHVFS-OXJKWZBOSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC000961741775 664354778 /nfs/dbraw/zinc/35/47/78/664354778.db2.gz FAURNDATFAHVFS-OXJKWZBOSA-N 1 1 318.381 -1.112 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CCNC1=O ZINC000961753227 664355435 /nfs/dbraw/zinc/35/54/35/664355435.db2.gz VZKAJRUUMZHWED-OXJKWZBOSA-N 1 1 318.381 -1.149 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC000961768705 664355985 /nfs/dbraw/zinc/35/59/85/664355985.db2.gz RWBMCKAXTDUBEO-UHFFFAOYSA-N 1 1 321.385 -1.327 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC000961765475 664356018 /nfs/dbraw/zinc/35/60/18/664356018.db2.gz SRQYIHPSHYXBIA-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC000961765475 664356021 /nfs/dbraw/zinc/35/60/21/664356021.db2.gz SRQYIHPSHYXBIA-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000961788051 664356285 /nfs/dbraw/zinc/35/62/85/664356285.db2.gz DNIWWEKELPMCQE-OQEOFVATSA-N 1 1 306.366 -1.614 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961781598 664356480 /nfs/dbraw/zinc/35/64/80/664356480.db2.gz RDBNYCRLDCPURH-LEQIOUOKSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961781598 664356483 /nfs/dbraw/zinc/35/64/83/664356483.db2.gz RDBNYCRLDCPURH-LEQIOUOKSA-N 1 1 305.338 -1.353 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961781004 664356488 /nfs/dbraw/zinc/35/64/88/664356488.db2.gz PAHUJOMKSGUFQK-XBWDGYHZSA-N 1 1 319.365 -1.092 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000961783870 664356520 /nfs/dbraw/zinc/35/65/20/664356520.db2.gz XERKNZXVUGVCTC-FHUSYTEZSA-N 1 1 318.381 -1.034 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000961783870 664356524 /nfs/dbraw/zinc/35/65/24/664356524.db2.gz XERKNZXVUGVCTC-FHUSYTEZSA-N 1 1 318.381 -1.034 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000961793164 664356855 /nfs/dbraw/zinc/35/68/55/664356855.db2.gz XWHRVMMOQILFQZ-MOWSAHLDSA-N 1 1 320.393 -1.223 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961795016 664356997 /nfs/dbraw/zinc/35/69/97/664356997.db2.gz FTDUHLZEKGZSAQ-WOFXILAISA-N 1 1 306.322 -1.059 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961795016 664356999 /nfs/dbraw/zinc/35/69/99/664356999.db2.gz FTDUHLZEKGZSAQ-WOFXILAISA-N 1 1 306.322 -1.059 20 0 DAADMO Cn1cc(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC000961799000 664357090 /nfs/dbraw/zinc/35/70/90/664357090.db2.gz PRASKYDKZKLSDG-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC000961833140 664357832 /nfs/dbraw/zinc/35/78/32/664357832.db2.gz KBOGXQRITNJPHG-UPJWGTAASA-N 1 1 322.365 -1.084 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC000961901980 664360610 /nfs/dbraw/zinc/36/06/10/664360610.db2.gz XHRVAPPAFHWGSJ-KKOKHZNYSA-N 1 1 324.381 -1.953 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC000961921900 664361350 /nfs/dbraw/zinc/36/13/50/664361350.db2.gz CCKLREYBSHSTSP-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1O ZINC000961926858 664361363 /nfs/dbraw/zinc/36/13/63/664361363.db2.gz CPCIQBFYIUECDI-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c(=O)n(C)c1=O ZINC000961933224 664362106 /nfs/dbraw/zinc/36/21/06/664362106.db2.gz RIZPCFUAEKAUEO-IAZYJMLFSA-N 1 1 322.365 -1.874 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O ZINC000961928270 664362233 /nfs/dbraw/zinc/36/22/33/664362233.db2.gz NYCFMISAHGHGHE-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000961930456 664362280 /nfs/dbraw/zinc/36/22/80/664362280.db2.gz AAAMGWBKFQOFAQ-WYOJIJJFSA-N 1 1 324.337 -2.166 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1O ZINC000961928269 664362288 /nfs/dbraw/zinc/36/22/88/664362288.db2.gz NYCFMISAHGHGHE-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961933228 664362338 /nfs/dbraw/zinc/36/23/38/664362338.db2.gz RWUSHGQJIYDHRG-BBBLOLIVSA-N 1 1 323.357 -2.394 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)n(C)c1=O ZINC000961935356 664362360 /nfs/dbraw/zinc/36/23/60/664362360.db2.gz XAWXKAQGQYLFBU-VROVMSAKSA-N 1 1 321.337 -2.771 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)n(C)c1=O ZINC000961935356 664362362 /nfs/dbraw/zinc/36/23/62/664362362.db2.gz XAWXKAQGQYLFBU-VROVMSAKSA-N 1 1 321.337 -2.771 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961933313 664362536 /nfs/dbraw/zinc/36/25/36/664362536.db2.gz UPKLXTMSHDAOFU-VWYCJHECSA-N 1 1 323.353 -1.226 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000961930449 664362565 /nfs/dbraw/zinc/36/25/65/664362565.db2.gz AAAMGWBKFQOFAQ-REIXXSIJSA-N 1 1 324.337 -2.166 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000961943451 664362971 /nfs/dbraw/zinc/36/29/71/664362971.db2.gz WZGMOAXAOKOJAA-ATCWAGBWSA-N 1 1 318.377 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000961943451 664362973 /nfs/dbraw/zinc/36/29/73/664362973.db2.gz WZGMOAXAOKOJAA-ATCWAGBWSA-N 1 1 318.377 -1.051 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC000961962145 664363070 /nfs/dbraw/zinc/36/30/70/664363070.db2.gz BMPCDNMLYGQJTC-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961966349 664363324 /nfs/dbraw/zinc/36/33/24/664363324.db2.gz STLAXAFTZAVCAA-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961966349 664363328 /nfs/dbraw/zinc/36/33/28/664363328.db2.gz STLAXAFTZAVCAA-DCQANWLSSA-N 1 1 308.382 -1.223 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961976901 664363417 /nfs/dbraw/zinc/36/34/17/664363417.db2.gz ZYXZXEGEFOGCFO-PJXYFTJBSA-N 1 1 308.382 -1.223 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961976901 664363422 /nfs/dbraw/zinc/36/34/22/664363422.db2.gz ZYXZXEGEFOGCFO-PJXYFTJBSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000961963500 664363471 /nfs/dbraw/zinc/36/34/71/664363471.db2.gz GHFWFNKOEMGEIZ-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2ccon2)[C@@H](O)C1 ZINC000961977297 664363660 /nfs/dbraw/zinc/36/36/60/664363660.db2.gz DPPNNWSOKXEKGX-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961966352 664363730 /nfs/dbraw/zinc/36/37/30/664363730.db2.gz STLAXAFTZAVCAA-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961966352 664363732 /nfs/dbraw/zinc/36/37/32/664363732.db2.gz STLAXAFTZAVCAA-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)C1 ZINC000961993274 664364086 /nfs/dbraw/zinc/36/40/86/664364086.db2.gz PUACCVAATWCEFB-HZSPNIEDSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC=CC3)[C@@H](O)C2)C1 ZINC000961993274 664364089 /nfs/dbraw/zinc/36/40/89/664364089.db2.gz PUACCVAATWCEFB-HZSPNIEDSA-N 1 1 323.393 -1.029 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000962009330 664364413 /nfs/dbraw/zinc/36/44/13/664364413.db2.gz ITDOZFRYCDZSND-KXNHARMFSA-N 1 1 317.411 -1.287 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)S1(=O)=O ZINC000962009798 664364703 /nfs/dbraw/zinc/36/47/03/664364703.db2.gz KWLIGSPVFORDHY-QCBRBAQYSA-N 1 1 316.383 -2.448 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)S1(=O)=O ZINC000962009798 664364704 /nfs/dbraw/zinc/36/47/04/664364704.db2.gz KWLIGSPVFORDHY-QCBRBAQYSA-N 1 1 316.383 -2.448 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC000962022564 664365263 /nfs/dbraw/zinc/36/52/63/664365263.db2.gz RXIRJSZRCSDPKQ-OZWUEAAUSA-N 1 1 308.382 -1.210 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962033497 664365791 /nfs/dbraw/zinc/36/57/91/664365791.db2.gz GOMSICRJUAJHPJ-MSRIBSCDSA-N 1 1 322.365 -1.826 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)C1 ZINC000962045379 664365916 /nfs/dbraw/zinc/36/59/16/664365916.db2.gz FWELQPCPAQTVAI-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2O)C1 ZINC000962045379 664365917 /nfs/dbraw/zinc/36/59/17/664365917.db2.gz FWELQPCPAQTVAI-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCOCC1 ZINC000962042485 664366061 /nfs/dbraw/zinc/36/60/61/664366061.db2.gz LOMPDJKULSSTPW-IMRBUKKESA-N 1 1 324.425 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCOCC1 ZINC000962042485 664366063 /nfs/dbraw/zinc/36/60/63/664366063.db2.gz LOMPDJKULSSTPW-IMRBUKKESA-N 1 1 324.425 -1.110 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2O)C1 ZINC000962047010 664366164 /nfs/dbraw/zinc/36/61/64/664366164.db2.gz MKFHTVFJCSWUGP-SNSPGFKJSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2O)C1 ZINC000962047010 664366168 /nfs/dbraw/zinc/36/61/68/664366168.db2.gz MKFHTVFJCSWUGP-SNSPGFKJSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2O)C1 ZINC000962047015 664366237 /nfs/dbraw/zinc/36/62/37/664366237.db2.gz MKFHTVFJCSWUGP-YYPBNWIBSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2O)C1 ZINC000962047015 664366241 /nfs/dbraw/zinc/36/62/41/664366241.db2.gz MKFHTVFJCSWUGP-YYPBNWIBSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2O)C1 ZINC000962047018 664366275 /nfs/dbraw/zinc/36/62/75/664366275.db2.gz MNHMAVSXQAUJIF-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2O)C1 ZINC000962047018 664366278 /nfs/dbraw/zinc/36/62/78/664366278.db2.gz MNHMAVSXQAUJIF-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC000962044850 664366350 /nfs/dbraw/zinc/36/63/50/664366350.db2.gz QETAEESUIGLKTH-SVDPJWKOSA-N 1 1 306.370 -1.048 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962062720 664366606 /nfs/dbraw/zinc/36/66/06/664366606.db2.gz VCRJRPPNGIDEGK-LITAXDCLSA-N 1 1 309.326 -2.542 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962062720 664366610 /nfs/dbraw/zinc/36/66/10/664366610.db2.gz VCRJRPPNGIDEGK-LITAXDCLSA-N 1 1 309.326 -2.542 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000962057246 664366799 /nfs/dbraw/zinc/36/67/99/664366799.db2.gz KFOVWXVWLHCPGR-HRDYMLBCSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000962057246 664366800 /nfs/dbraw/zinc/36/68/00/664366800.db2.gz KFOVWXVWLHCPGR-HRDYMLBCSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)C1 ZINC000962049343 664366806 /nfs/dbraw/zinc/36/68/06/664366806.db2.gz YERSILIVSXGBRQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)C1 ZINC000962049343 664366810 /nfs/dbraw/zinc/36/68/10/664366810.db2.gz YERSILIVSXGBRQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000962053550 664366836 /nfs/dbraw/zinc/36/68/36/664366836.db2.gz BBPICTFQRITGNS-VWYCJHECSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000962053550 664366839 /nfs/dbraw/zinc/36/68/39/664366839.db2.gz BBPICTFQRITGNS-VWYCJHECSA-N 1 1 324.341 -2.563 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962062719 664366845 /nfs/dbraw/zinc/36/68/45/664366845.db2.gz VCRJRPPNGIDEGK-LEQIOUOKSA-N 1 1 309.326 -2.542 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962062719 664366848 /nfs/dbraw/zinc/36/68/48/664366848.db2.gz VCRJRPPNGIDEGK-LEQIOUOKSA-N 1 1 309.326 -2.542 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000962057252 664366903 /nfs/dbraw/zinc/36/69/03/664366903.db2.gz KFOVWXVWLHCPGR-VGMNWLOBSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000962057252 664366906 /nfs/dbraw/zinc/36/69/06/664366906.db2.gz KFOVWXVWLHCPGR-VGMNWLOBSA-N 1 1 300.315 -3.510 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962059975 664366913 /nfs/dbraw/zinc/36/69/13/664366913.db2.gz NQQMACCZKHLDLJ-SREGZZRCSA-N 1 1 323.353 -2.152 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1nnc[nH]1 ZINC000962099834 664367857 /nfs/dbraw/zinc/36/78/57/664367857.db2.gz MZFOQVQJMGXWHO-WYUUTHIRSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1ncn[nH]1 ZINC000962099834 664367859 /nfs/dbraw/zinc/36/78/59/664367859.db2.gz MZFOQVQJMGXWHO-WYUUTHIRSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1ncn[nH]1 ZINC000962099834 664367861 /nfs/dbraw/zinc/36/78/61/664367861.db2.gz MZFOQVQJMGXWHO-WYUUTHIRSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1nc[nH]n1 ZINC000962099834 664367862 /nfs/dbraw/zinc/36/78/62/664367862.db2.gz MZFOQVQJMGXWHO-WYUUTHIRSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)c1nc[nH]n1 ZINC000962099834 664367863 /nfs/dbraw/zinc/36/78/63/664367863.db2.gz MZFOQVQJMGXWHO-WYUUTHIRSA-N 1 1 317.353 -1.278 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cccnn1 ZINC000962111724 664367939 /nfs/dbraw/zinc/36/79/39/664367939.db2.gz OEVAZCDODCGKKR-IZWKTGJZSA-N 1 1 315.333 -1.058 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962140097 664368444 /nfs/dbraw/zinc/36/84/44/664368444.db2.gz IOBYGISAIVLFNA-CNABLZDZSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962140097 664368446 /nfs/dbraw/zinc/36/84/46/664368446.db2.gz IOBYGISAIVLFNA-CNABLZDZSA-N 1 1 305.338 -1.353 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962153895 664368487 /nfs/dbraw/zinc/36/84/87/664368487.db2.gz MZGLVYGWHYBLNC-IWIIMEHWSA-N 1 1 319.365 -1.138 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncccn1 ZINC000962125343 664368596 /nfs/dbraw/zinc/36/85/96/664368596.db2.gz ZPCOTUCSLLUVHS-KLBPJQLPSA-N 1 1 315.333 -1.058 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)n1 ZINC000962161722 664368805 /nfs/dbraw/zinc/36/88/05/664368805.db2.gz XUGGQDOVDCFRHX-IMRBUKKESA-N 1 1 306.366 -1.101 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962157448 664369006 /nfs/dbraw/zinc/36/90/06/664369006.db2.gz VRXOQLQGYPBBMD-QAHWYCSRSA-N 1 1 319.365 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962158225 664369060 /nfs/dbraw/zinc/36/90/60/664369060.db2.gz XHNXSBFKYFLUEK-GDGBQDQQSA-N 1 1 305.338 -1.480 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962158225 664369063 /nfs/dbraw/zinc/36/90/63/664369063.db2.gz XHNXSBFKYFLUEK-GDGBQDQQSA-N 1 1 305.338 -1.480 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3nnn(C)n3)C2)n1 ZINC000962184352 664369305 /nfs/dbraw/zinc/36/93/05/664369305.db2.gz APGUOWVLJZCURT-UHFFFAOYSA-N 1 1 306.334 -1.968 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962175926 664369355 /nfs/dbraw/zinc/36/93/55/664369355.db2.gz YQHQHURQEBQOLY-IZWKTGJZSA-N 1 1 305.338 -1.145 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962175928 664369487 /nfs/dbraw/zinc/36/94/87/664369487.db2.gz YQHQHURQEBQOLY-PFWNZEGQSA-N 1 1 305.338 -1.145 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962227217 664370222 /nfs/dbraw/zinc/37/02/22/664370222.db2.gz JAMQYHYFMPSNKF-DNJQJEMRSA-N 1 1 310.354 -1.645 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252193 664371016 /nfs/dbraw/zinc/37/10/16/664371016.db2.gz OAUOEUBUBXVTFB-VXFNFUGZSA-N 1 1 318.337 -1.801 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252193 664371020 /nfs/dbraw/zinc/37/10/20/664371020.db2.gz OAUOEUBUBXVTFB-VXFNFUGZSA-N 1 1 318.337 -1.801 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962252193 664371026 /nfs/dbraw/zinc/37/10/26/664371026.db2.gz OAUOEUBUBXVTFB-VXFNFUGZSA-N 1 1 318.337 -1.801 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962276384 664371731 /nfs/dbraw/zinc/37/17/31/664371731.db2.gz CYPRJHHJWZAKEJ-BRPSZJMVSA-N 1 1 324.337 -1.061 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000962277100 664371743 /nfs/dbraw/zinc/37/17/43/664371743.db2.gz DZBDFCHMKUYXBA-SKNMHBRKSA-N 1 1 304.354 -1.559 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000962277100 664371745 /nfs/dbraw/zinc/37/17/45/664371745.db2.gz DZBDFCHMKUYXBA-SKNMHBRKSA-N 1 1 304.354 -1.559 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)c1 ZINC000962269738 664371773 /nfs/dbraw/zinc/37/17/73/664371773.db2.gz LPKTVUUIQTYBJM-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000962286672 664372570 /nfs/dbraw/zinc/37/25/70/664372570.db2.gz KFRGZNKIMNAHFS-JZYVYDRUSA-N 1 1 316.321 -1.420 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2c(=O)[nH]nc12 ZINC000962286672 664372575 /nfs/dbraw/zinc/37/25/75/664372575.db2.gz KFRGZNKIMNAHFS-JZYVYDRUSA-N 1 1 316.321 -1.420 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962291611 664372634 /nfs/dbraw/zinc/37/26/34/664372634.db2.gz YWOFYTJIYFOYIL-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962291611 664372638 /nfs/dbraw/zinc/37/26/38/664372638.db2.gz YWOFYTJIYFOYIL-WOFXILAISA-N 1 1 323.353 -2.327 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)c1 ZINC000962298611 664372745 /nfs/dbraw/zinc/37/27/45/664372745.db2.gz FKVZVBVISKEDHS-WXHSDQCUSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000962348676 664373420 /nfs/dbraw/zinc/37/34/20/664373420.db2.gz VJKGUWQYBUWECV-SRRSOLGSSA-N 1 1 304.354 -1.360 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000962348676 664373424 /nfs/dbraw/zinc/37/34/24/664373424.db2.gz VJKGUWQYBUWECV-SRRSOLGSSA-N 1 1 304.354 -1.360 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)N1CCC1 ZINC000962325522 664373455 /nfs/dbraw/zinc/37/34/55/664373455.db2.gz KDNFJHXQTHWZBE-BBGACYKPSA-N 1 1 306.366 -1.456 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)n1 ZINC000962351077 664374060 /nfs/dbraw/zinc/37/40/60/664374060.db2.gz FAGXEQUSKFCMEY-UUIJZJDISA-N 1 1 306.366 -1.021 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000962391030 664374573 /nfs/dbraw/zinc/37/45/73/664374573.db2.gz FLHCEXHEQGDLPN-OZWUEAAUSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000962391030 664374575 /nfs/dbraw/zinc/37/45/75/664374575.db2.gz FLHCEXHEQGDLPN-OZWUEAAUSA-N 1 1 308.382 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000962398025 664374589 /nfs/dbraw/zinc/37/45/89/664374589.db2.gz RANYWLWZUIPIEB-NMKXLXIOSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000962398025 664374590 /nfs/dbraw/zinc/37/45/90/664374590.db2.gz RANYWLWZUIPIEB-NMKXLXIOSA-N 1 1 308.382 -1.353 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cnn1C ZINC000962410125 664374798 /nfs/dbraw/zinc/37/47/98/664374798.db2.gz UYTBNXGWBYSATG-KXNHARMFSA-N 1 1 319.365 -1.023 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962410181 664375032 /nfs/dbraw/zinc/37/50/32/664375032.db2.gz VFJDKYYCQVSREU-RMRHIDDWSA-N 1 1 322.409 -1.011 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c(=O)n1C ZINC000962427206 664375258 /nfs/dbraw/zinc/37/52/58/664375258.db2.gz FSLWEIWFBSEMRM-PJXYFTJBSA-N 1 1 309.370 -1.681 20 0 DAADMO Cn1ncc(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC000962420214 664375464 /nfs/dbraw/zinc/37/54/64/664375464.db2.gz JKJXVUPCKJZJEM-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000962427190 664375530 /nfs/dbraw/zinc/37/55/30/664375530.db2.gz FOODAAIMMLQEOX-WOFXILAISA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000962427190 664375534 /nfs/dbraw/zinc/37/55/34/664375534.db2.gz FOODAAIMMLQEOX-WOFXILAISA-N 1 1 317.349 -1.414 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)c(=O)n1C ZINC000962431747 664375801 /nfs/dbraw/zinc/37/58/01/664375801.db2.gz PKWBQIABBFCJAW-BXSSEVMYSA-N 1 1 322.369 -2.190 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)c(=O)n1C ZINC000962431747 664375803 /nfs/dbraw/zinc/37/58/03/664375803.db2.gz PKWBQIABBFCJAW-BXSSEVMYSA-N 1 1 322.369 -2.190 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)c(=O)n1C ZINC000962431749 664375820 /nfs/dbraw/zinc/37/58/20/664375820.db2.gz PKWBQIABBFCJAW-QAHWYCSRSA-N 1 1 322.369 -2.190 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)c(=O)n1C ZINC000962431749 664375825 /nfs/dbraw/zinc/37/58/25/664375825.db2.gz PKWBQIABBFCJAW-QAHWYCSRSA-N 1 1 322.369 -2.190 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000962436856 664375852 /nfs/dbraw/zinc/37/58/52/664375852.db2.gz KXJXBTIKZKZDOP-RFQIPJPRSA-N 1 1 311.382 -1.074 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)c(=O)n1C ZINC000962433820 664375936 /nfs/dbraw/zinc/37/59/36/664375936.db2.gz ZPLLOTYAXOIWIA-MVVXRAEJSA-N 1 1 309.370 -1.683 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962478917 664376913 /nfs/dbraw/zinc/37/69/13/664376913.db2.gz YKCOLJAANXPKGO-PQFRYHKHSA-N 1 1 318.381 -1.008 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962477431 664376971 /nfs/dbraw/zinc/37/69/71/664376971.db2.gz STVUOKWSAGKBGL-MPXOCVNLSA-N 1 1 318.337 -1.870 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000962472113 664377007 /nfs/dbraw/zinc/37/70/07/664377007.db2.gz ACDSYCRKOQHMHG-YABSGUDNSA-N 1 1 304.354 -1.443 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962477429 664377119 /nfs/dbraw/zinc/37/71/19/664377119.db2.gz STVUOKWSAGKBGL-COMAGPEQSA-N 1 1 318.337 -1.870 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962480322 664377134 /nfs/dbraw/zinc/37/71/34/664377134.db2.gz CUPXHNDDCGCVGL-DNJQJEMRSA-N 1 1 310.354 -1.381 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962485770 664377373 /nfs/dbraw/zinc/37/73/73/664377373.db2.gz KROZJBFEXXMYAK-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962485770 664377375 /nfs/dbraw/zinc/37/73/75/664377375.db2.gz KROZJBFEXXMYAK-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482134 664377468 /nfs/dbraw/zinc/37/74/68/664377468.db2.gz JBTZWBNZFUBIKI-KZWBYHQPSA-N 1 1 324.381 -1.038 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962513649 664377975 /nfs/dbraw/zinc/37/79/75/664377975.db2.gz YFYFLKLEMAJKDW-IMRBUKKESA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000962513649 664377978 /nfs/dbraw/zinc/37/79/78/664377978.db2.gz YFYFLKLEMAJKDW-IMRBUKKESA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962506560 664378172 /nfs/dbraw/zinc/37/81/72/664378172.db2.gz DSTMNOAPRNTRAP-HXFLIBJXSA-N 1 1 318.337 -1.891 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962506560 664378175 /nfs/dbraw/zinc/37/81/75/664378175.db2.gz DSTMNOAPRNTRAP-HXFLIBJXSA-N 1 1 318.337 -1.891 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962514431 664378245 /nfs/dbraw/zinc/37/82/45/664378245.db2.gz CDOZDFBDYQCAAG-GDGBQDQQSA-N 1 1 310.379 -1.250 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962514431 664378247 /nfs/dbraw/zinc/37/82/47/664378247.db2.gz CDOZDFBDYQCAAG-GDGBQDQQSA-N 1 1 310.379 -1.250 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962535340 664378483 /nfs/dbraw/zinc/37/84/83/664378483.db2.gz RRNQDVOIHNRKRX-WYOJIJJFSA-N 1 1 308.338 -1.473 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 ZINC000962527834 664378508 /nfs/dbraw/zinc/37/85/08/664378508.db2.gz PFPBRZZDOIOZHH-PJXYFTJBSA-N 1 1 302.334 -1.069 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 ZINC000962527834 664378513 /nfs/dbraw/zinc/37/85/13/664378513.db2.gz PFPBRZZDOIOZHH-PJXYFTJBSA-N 1 1 302.334 -1.069 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000962533805 664378581 /nfs/dbraw/zinc/37/85/81/664378581.db2.gz CCLQVAJYPYMHCZ-PJXYFTJBSA-N 1 1 319.402 -1.267 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000962533805 664378584 /nfs/dbraw/zinc/37/85/84/664378584.db2.gz CCLQVAJYPYMHCZ-PJXYFTJBSA-N 1 1 319.402 -1.267 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962535338 664378803 /nfs/dbraw/zinc/37/88/03/664378803.db2.gz RRNQDVOIHNRKRX-REIXXSIJSA-N 1 1 308.338 -1.473 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962533585 664378824 /nfs/dbraw/zinc/37/88/24/664378824.db2.gz MHOLBYQGGVGSOL-QHOPCYEYSA-N 1 1 321.337 -1.980 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC000962563500 664378960 /nfs/dbraw/zinc/37/89/60/664378960.db2.gz DVWNXEFGULPXSZ-RTBKNWGFSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962557078 664379198 /nfs/dbraw/zinc/37/91/98/664379198.db2.gz SJAMPAJGSPXYAA-MEWQQHAOSA-N 1 1 305.386 -1.292 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000962549367 664379246 /nfs/dbraw/zinc/37/92/46/664379246.db2.gz CGVZAXYEJXJSJS-DCQANWLSSA-N 1 1 305.386 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962578367 664379541 /nfs/dbraw/zinc/37/95/41/664379541.db2.gz QSDFUWWKVSVSPC-QAHWYCSRSA-N 1 1 319.365 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614001 664380544 /nfs/dbraw/zinc/38/05/44/664380544.db2.gz FWJAIFGCDSFSBF-CWPPHPDTSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614001 664380546 /nfs/dbraw/zinc/38/05/46/664380546.db2.gz FWJAIFGCDSFSBF-CWPPHPDTSA-N 1 1 317.349 -1.286 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962621444 664380649 /nfs/dbraw/zinc/38/06/49/664380649.db2.gz YHIVFUHTJWXNQD-XZUYRWCXSA-N 1 1 310.354 -2.235 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962621444 664380652 /nfs/dbraw/zinc/38/06/52/664380652.db2.gz YHIVFUHTJWXNQD-XZUYRWCXSA-N 1 1 310.354 -2.235 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962666338 664381486 /nfs/dbraw/zinc/38/14/86/664381486.db2.gz NOWALTAGRDOBNJ-COMQUAJESA-N 1 1 324.425 -1.158 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000962654594 664381702 /nfs/dbraw/zinc/38/17/02/664381702.db2.gz RARNPIJZDNMHCA-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)C1 ZINC000962654594 664381704 /nfs/dbraw/zinc/38/17/04/664381704.db2.gz RARNPIJZDNMHCA-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000962654598 664381803 /nfs/dbraw/zinc/38/18/03/664381803.db2.gz RARNPIJZDNMHCA-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)C1 ZINC000962654598 664381805 /nfs/dbraw/zinc/38/18/05/664381805.db2.gz RARNPIJZDNMHCA-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC000962725041 664383416 /nfs/dbraw/zinc/38/34/16/664383416.db2.gz DHKABCJQBYUQMJ-QISWUMQESA-N 1 1 304.354 -1.628 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC000962725041 664383418 /nfs/dbraw/zinc/38/34/18/664383418.db2.gz DHKABCJQBYUQMJ-QISWUMQESA-N 1 1 304.354 -1.628 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962765166 664383990 /nfs/dbraw/zinc/38/39/90/664383990.db2.gz QDCMSRUZORGLGD-DNJQJEMRSA-N 1 1 322.369 -1.542 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000962777543 664384095 /nfs/dbraw/zinc/38/40/95/664384095.db2.gz PFIRGECKKVIWIP-IIDWOEFGSA-N 1 1 307.314 -3.091 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)nn1 ZINC000962777543 664384097 /nfs/dbraw/zinc/38/40/97/664384097.db2.gz PFIRGECKKVIWIP-IIDWOEFGSA-N 1 1 307.314 -3.091 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cs1 ZINC000962840550 664385650 /nfs/dbraw/zinc/38/56/50/664385650.db2.gz ZJJFEESPBQZOOP-VROVMSAKSA-N 1 1 308.363 -1.008 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cs1 ZINC000962840550 664385653 /nfs/dbraw/zinc/38/56/53/664385653.db2.gz ZJJFEESPBQZOOP-VROVMSAKSA-N 1 1 308.363 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962858421 664385889 /nfs/dbraw/zinc/38/58/89/664385889.db2.gz ZDTFLUWNKAHWEV-GDGBQDQQSA-N 1 1 307.354 -1.870 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962858421 664385891 /nfs/dbraw/zinc/38/58/91/664385891.db2.gz ZDTFLUWNKAHWEV-GDGBQDQQSA-N 1 1 307.354 -1.870 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962858504 664386058 /nfs/dbraw/zinc/38/60/58/664386058.db2.gz ZSFXCFUJRYMXND-SVDPJWKOSA-N 1 1 321.381 -1.482 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)=O ZINC000962891010 664386469 /nfs/dbraw/zinc/38/64/69/664386469.db2.gz SAKDTKBXLUYBEE-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)=O ZINC000962891010 664386471 /nfs/dbraw/zinc/38/64/71/664386471.db2.gz SAKDTKBXLUYBEE-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000962942618 664386895 /nfs/dbraw/zinc/38/68/95/664386895.db2.gz FEUNJNOKDLPPAD-JYAVWHMHSA-N 1 1 316.361 -1.140 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C(N)=O)cc1 ZINC000962942618 664386898 /nfs/dbraw/zinc/38/68/98/664386898.db2.gz FEUNJNOKDLPPAD-JYAVWHMHSA-N 1 1 316.361 -1.140 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962984275 664387443 /nfs/dbraw/zinc/38/74/43/664387443.db2.gz BXWBFDMCSVVRNE-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962984275 664387445 /nfs/dbraw/zinc/38/74/45/664387445.db2.gz BXWBFDMCSVVRNE-IWIIMEHWSA-N 1 1 317.349 -1.414 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963027344 664387750 /nfs/dbraw/zinc/38/77/50/664387750.db2.gz BICBDUCKRJMNIN-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC000963027344 664387753 /nfs/dbraw/zinc/38/77/53/664387753.db2.gz BICBDUCKRJMNIN-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000963031336 664387968 /nfs/dbraw/zinc/38/79/68/664387968.db2.gz HADXTEFUGRABBO-VROVMSAKSA-N 1 1 321.337 -1.361 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000963031336 664387970 /nfs/dbraw/zinc/38/79/70/664387970.db2.gz HADXTEFUGRABBO-VROVMSAKSA-N 1 1 321.337 -1.361 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC000963063751 664388005 /nfs/dbraw/zinc/38/80/05/664388005.db2.gz ZAXSDJOADRLXBH-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC000963063751 664388007 /nfs/dbraw/zinc/38/80/07/664388007.db2.gz ZAXSDJOADRLXBH-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963176780 664388215 /nfs/dbraw/zinc/38/82/15/664388215.db2.gz FWMXWSLWHHWBAX-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963176780 664388217 /nfs/dbraw/zinc/38/82/17/664388217.db2.gz FWMXWSLWHHWBAX-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963376526 664389116 /nfs/dbraw/zinc/38/91/16/664389116.db2.gz YODZPOZSMAIKSK-AXFHLTTASA-N 1 1 301.412 -1.011 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000963375253 664389324 /nfs/dbraw/zinc/38/93/24/664389324.db2.gz JXFJCTISWFOTEB-WCQGTBRESA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2O)C1 ZINC000963374549 664389429 /nfs/dbraw/zinc/38/94/29/664389429.db2.gz BRGBCOMLHONRAP-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2O)C1 ZINC000963374549 664389431 /nfs/dbraw/zinc/38/94/31/664389431.db2.gz BRGBCOMLHONRAP-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2O)C1 ZINC000963374549 664389434 /nfs/dbraw/zinc/38/94/34/664389434.db2.gz BRGBCOMLHONRAP-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2O)C1 ZINC000963374889 664389542 /nfs/dbraw/zinc/38/95/42/664389542.db2.gz HRKISYKUXGFUGD-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cccn3)C[C@@H]2O)C1 ZINC000963375304 664389550 /nfs/dbraw/zinc/38/95/50/664389550.db2.gz KPJDDJGJQWWZBD-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)C1 ZINC000963383753 664389947 /nfs/dbraw/zinc/38/99/47/664389947.db2.gz VAGCODKMMGWTPL-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963383189 664389970 /nfs/dbraw/zinc/38/99/70/664389970.db2.gz PVGOVRYESIBVID-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c[nH]1 ZINC000963393984 664390024 /nfs/dbraw/zinc/39/00/24/664390024.db2.gz JRTDMKYZBSRYHH-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC000963393984 664390026 /nfs/dbraw/zinc/39/00/26/664390026.db2.gz JRTDMKYZBSRYHH-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC000963393984 664390030 /nfs/dbraw/zinc/39/00/30/664390030.db2.gz JRTDMKYZBSRYHH-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2O)C1 ZINC000963383498 664390091 /nfs/dbraw/zinc/39/00/91/664390091.db2.gz SVLWVMWPQYUXIS-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@@H]2O)C1 ZINC000963397647 664390205 /nfs/dbraw/zinc/39/02/05/664390205.db2.gz WMJATKDAWNHPOG-XQQFMLRXSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]2O)C1 ZINC000963383763 664390394 /nfs/dbraw/zinc/39/03/94/664390394.db2.gz VFEYZCSWTXMQJV-UPJWGTAASA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]2O)C1 ZINC000963395535 664390415 /nfs/dbraw/zinc/39/04/15/664390415.db2.gz PGSFIUVWKWFODQ-PRFQISJJSA-N 1 1 323.393 -1.482 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000963420888 664390655 /nfs/dbraw/zinc/39/06/55/664390655.db2.gz NSPYXAKDZGSMBJ-IEBDPFPHSA-N 1 1 309.326 -1.677 20 0 DAADMO Cc1c[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963422582 664390873 /nfs/dbraw/zinc/39/08/73/664390873.db2.gz XPCQTSOGKFAHNV-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000963452221 664391013 /nfs/dbraw/zinc/39/10/13/664391013.db2.gz MKQZACPHKPVSHG-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000963554875 664393287 /nfs/dbraw/zinc/39/32/87/664393287.db2.gz DERRHBFWJCAYDS-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000963541841 664393528 /nfs/dbraw/zinc/39/35/28/664393528.db2.gz LZPKFCSDEWNSCP-ZJUUUORDSA-N 1 1 319.325 -1.689 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1O ZINC000963555313 664393547 /nfs/dbraw/zinc/39/35/47/664393547.db2.gz GIMITIDGAGVPDI-MBNYWOFBSA-N 1 1 324.381 -1.104 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC000963555256 664393575 /nfs/dbraw/zinc/39/35/75/664393575.db2.gz FFOIPVCNIQCTLO-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000963555256 664393576 /nfs/dbraw/zinc/39/35/76/664393576.db2.gz FFOIPVCNIQCTLO-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000963750867 664394295 /nfs/dbraw/zinc/39/42/95/664394295.db2.gz HMAOUYYKMNQSJH-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000963825517 664395653 /nfs/dbraw/zinc/39/56/53/664395653.db2.gz HGKPJUKKHDPVDD-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC000963834975 664396631 /nfs/dbraw/zinc/39/66/31/664396631.db2.gz YHJFEDBOXRQTBW-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO COCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000964144470 664401950 /nfs/dbraw/zinc/40/19/50/664401950.db2.gz LEQALKGFXMMVPS-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000964144470 664401951 /nfs/dbraw/zinc/40/19/51/664401951.db2.gz LEQALKGFXMMVPS-NEPJUHHUSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964141226 664401988 /nfs/dbraw/zinc/40/19/88/664401988.db2.gz BOFCXNOACCEKPO-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964141226 664401989 /nfs/dbraw/zinc/40/19/89/664401989.db2.gz BOFCXNOACCEKPO-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)n1 ZINC000964245098 664404965 /nfs/dbraw/zinc/40/49/65/664404965.db2.gz ZZJJUUUYWXPFPR-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC000964250976 664405453 /nfs/dbraw/zinc/40/54/53/664405453.db2.gz SPZIXQZZJNSFET-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cn[nH]n2)C1 ZINC000964258824 664405953 /nfs/dbraw/zinc/40/59/53/664405953.db2.gz UFVDBLRKGBJWFJ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258824 664405955 /nfs/dbraw/zinc/40/59/55/664405955.db2.gz UFVDBLRKGBJWFJ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2cnn[nH]2)C1 ZINC000964258824 664405957 /nfs/dbraw/zinc/40/59/57/664405957.db2.gz UFVDBLRKGBJWFJ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC000964741330 664412721 /nfs/dbraw/zinc/41/27/21/664412721.db2.gz PDXBAUIQXWHSOC-ZDCRXTMVSA-N 1 1 312.370 -2.110 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)C1 ZINC000965008547 664414188 /nfs/dbraw/zinc/41/41/88/664414188.db2.gz VRJTXDHGLPBMKC-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)C1 ZINC000965008547 664414191 /nfs/dbraw/zinc/41/41/91/664414191.db2.gz VRJTXDHGLPBMKC-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964972669 664414245 /nfs/dbraw/zinc/41/42/45/664414245.db2.gz ZHSVJUCADSKTGV-NWDGAFQWSA-N 1 1 319.373 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965091023 664416121 /nfs/dbraw/zinc/41/61/21/664416121.db2.gz ROWNGOBCUOYKNX-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132831 664416321 /nfs/dbraw/zinc/41/63/21/664416321.db2.gz QPZWKMLVADHKRW-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132831 664416324 /nfs/dbraw/zinc/41/63/24/664416324.db2.gz QPZWKMLVADHKRW-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965327705 664419318 /nfs/dbraw/zinc/41/93/18/664419318.db2.gz PKOCOWYCOKJEFZ-JTQLQIEISA-N 1 1 310.354 -1.994 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)CC(N)=O)CCO2 ZINC000965333828 664419975 /nfs/dbraw/zinc/41/99/75/664419975.db2.gz SOYPXXDBVRXBTL-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965474619 664424365 /nfs/dbraw/zinc/42/43/65/664424365.db2.gz UIAMCJUYGHSYNJ-WDEREUQCSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037805657 664424545 /nfs/dbraw/zinc/42/45/45/664424545.db2.gz DPWLAMSODZVTSV-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO CC[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001037805669 664424786 /nfs/dbraw/zinc/42/47/86/664424786.db2.gz DPWLAMSODZVTSV-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965701871 664429065 /nfs/dbraw/zinc/42/90/65/664429065.db2.gz LNWVNEXPQPJTMO-VHSXEESVSA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965734119 664430292 /nfs/dbraw/zinc/43/02/92/664430292.db2.gz SQMOWLKJIBPEIQ-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965747478 664430363 /nfs/dbraw/zinc/43/03/63/664430363.db2.gz OCQARJFHTJECAM-SNVBAGLBSA-N 1 1 321.337 -1.837 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965789578 664432031 /nfs/dbraw/zinc/43/20/31/664432031.db2.gz KQDXYYCDVVXKKR-VHSXEESVSA-N 1 1 310.354 -1.948 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965802554 664434156 /nfs/dbraw/zinc/43/41/56/664434156.db2.gz FIQXFAGTCONXGQ-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965802552 664434440 /nfs/dbraw/zinc/43/44/40/664434440.db2.gz FIQXFAGTCONXGQ-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898760 664436052 /nfs/dbraw/zinc/43/60/52/664436052.db2.gz CPGMYUUJFNUTEN-ZJUUUORDSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898760 664436055 /nfs/dbraw/zinc/43/60/55/664436055.db2.gz CPGMYUUJFNUTEN-ZJUUUORDSA-N 1 1 310.358 -1.444 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965901570 664436293 /nfs/dbraw/zinc/43/62/93/664436293.db2.gz VQGRHVCAHRUCIV-WDEREUQCSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965901570 664436295 /nfs/dbraw/zinc/43/62/95/664436295.db2.gz VQGRHVCAHRUCIV-WDEREUQCSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965901567 664436350 /nfs/dbraw/zinc/43/63/50/664436350.db2.gz VQGRHVCAHRUCIV-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965901567 664436353 /nfs/dbraw/zinc/43/63/53/664436353.db2.gz VQGRHVCAHRUCIV-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000965970641 664437527 /nfs/dbraw/zinc/43/75/27/664437527.db2.gz XUHZFVYHUFBFQA-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966133048 664438982 /nfs/dbraw/zinc/43/89/82/664438982.db2.gz MUHBHIHBMACYBR-NWDGAFQWSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966137464 664439342 /nfs/dbraw/zinc/43/93/42/664439342.db2.gz VNXKYJRHXSSHKI-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966137464 664439343 /nfs/dbraw/zinc/43/93/43/664439343.db2.gz VNXKYJRHXSSHKI-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966164720 664440216 /nfs/dbraw/zinc/44/02/16/664440216.db2.gz DCXOJISPFBRXRC-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC000966368065 664442547 /nfs/dbraw/zinc/44/25/47/664442547.db2.gz LOHDEUGTIPUZPA-BBBLOLIVSA-N 1 1 321.337 -2.066 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000966524690 664445423 /nfs/dbraw/zinc/44/54/23/664445423.db2.gz LWCACQNHMIUBLT-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000966521879 664445652 /nfs/dbraw/zinc/44/56/52/664445652.db2.gz HTGJCKTYAVKZFN-VXGBXAGGSA-N 1 1 324.381 -1.634 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000966521851 664445711 /nfs/dbraw/zinc/44/57/11/664445711.db2.gz HTGJCKTYAVKZFN-NEPJUHHUSA-N 1 1 324.381 -1.634 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846346 664452547 /nfs/dbraw/zinc/45/25/47/664452547.db2.gz PTWAASCMXNSJOR-PWSUYJOCSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846346 664452548 /nfs/dbraw/zinc/45/25/48/664452548.db2.gz PTWAASCMXNSJOR-PWSUYJOCSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967029281 664454063 /nfs/dbraw/zinc/45/40/63/664454063.db2.gz GXHYWBXOCPPMQW-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000967004455 664454277 /nfs/dbraw/zinc/45/42/77/664454277.db2.gz APSQKBAUVUHZCQ-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035583 664454339 /nfs/dbraw/zinc/45/43/39/664454339.db2.gz URVZZFLHTNVMEW-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035583 664454341 /nfs/dbraw/zinc/45/43/41/664454341.db2.gz URVZZFLHTNVMEW-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967029279 664454452 /nfs/dbraw/zinc/45/44/52/664454452.db2.gz GXHYWBXOCPPMQW-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(C(=O)C(N)=O)C2)CC1 ZINC000967194349 664457240 /nfs/dbraw/zinc/45/72/40/664457240.db2.gz HKVXUBJBJVFUAB-LBPRGKRZSA-N 1 1 323.397 -2.079 20 0 DAADMO COCC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000967212193 664457556 /nfs/dbraw/zinc/45/75/56/664457556.db2.gz NPMPHQFTGHOYHM-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO O=C(c1ccn[nH]1)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000967280297 664460614 /nfs/dbraw/zinc/46/06/14/664460614.db2.gz ICAABFYZZFQQSA-SECBINFHSA-N 1 1 306.326 -1.234 20 0 DAADMO COCC[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967721888 664465084 /nfs/dbraw/zinc/46/50/84/664465084.db2.gz LTMHPVLMHMHMBR-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000967842554 664466603 /nfs/dbraw/zinc/46/66/03/664466603.db2.gz YXHNUNNIDLLDHE-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000967842553 664466629 /nfs/dbraw/zinc/46/66/29/664466629.db2.gz YXHNUNNIDLLDHE-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000967839307 664466960 /nfs/dbraw/zinc/46/69/60/664466960.db2.gz FMANRKBRERNVTG-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000967839309 664467262 /nfs/dbraw/zinc/46/72/62/664467262.db2.gz FMANRKBRERNVTG-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000967983441 664468853 /nfs/dbraw/zinc/46/88/53/664468853.db2.gz QWOKMLUZAPCVHH-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968156952 664470570 /nfs/dbraw/zinc/47/05/70/664470570.db2.gz WKZLNXKVEIWBHX-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968156952 664470574 /nfs/dbraw/zinc/47/05/74/664470574.db2.gz WKZLNXKVEIWBHX-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO Cc1c(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC000968240039 664472083 /nfs/dbraw/zinc/47/20/83/664472083.db2.gz WXJBZFBONFTFQQ-SECBINFHSA-N 1 1 305.346 -1.349 20 0 DAADMO Cn1nnc(CN[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000968300520 664473940 /nfs/dbraw/zinc/47/39/40/664473940.db2.gz HBMRVFIMYOZALU-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000968300520 664473941 /nfs/dbraw/zinc/47/39/41/664473941.db2.gz HBMRVFIMYOZALU-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000968300526 664474277 /nfs/dbraw/zinc/47/42/77/664474277.db2.gz HBMRVFIMYOZALU-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000968300526 664474279 /nfs/dbraw/zinc/47/42/79/664474279.db2.gz HBMRVFIMYOZALU-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000968304324 664474784 /nfs/dbraw/zinc/47/47/84/664474784.db2.gz UQNIXNQLSGLLRT-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000968304325 664475181 /nfs/dbraw/zinc/47/51/81/664475181.db2.gz UQNIXNQLSGLLRT-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000968419316 664476306 /nfs/dbraw/zinc/47/63/06/664476306.db2.gz JJZLXHNTFYBTOY-VHSXEESVSA-N 1 1 308.342 -1.146 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000968373673 664476562 /nfs/dbraw/zinc/47/65/62/664476562.db2.gz ILCIEDZMALNHLB-ZYHUDNBSSA-N 1 1 324.381 -1.484 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431651 664476633 /nfs/dbraw/zinc/47/66/33/664476633.db2.gz NRQILDCHBSKHOY-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC000968446904 664477228 /nfs/dbraw/zinc/47/72/28/664477228.db2.gz ZBAGXLDNZBMQAI-GFCCVEGCSA-N 1 1 308.386 -1.162 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)nn1 ZINC000968459866 664478420 /nfs/dbraw/zinc/47/84/20/664478420.db2.gz RPXUYVHZBYXCTJ-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000968462103 664478574 /nfs/dbraw/zinc/47/85/74/664478574.db2.gz ANXAEABDZLRREY-MNOVXSKESA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)n1 ZINC000968459634 664478730 /nfs/dbraw/zinc/47/87/30/664478730.db2.gz KDWCWTIDPMZUMW-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000968462163 664478744 /nfs/dbraw/zinc/47/87/44/664478744.db2.gz CVPWLZHCIYWJJH-NEPJUHHUSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000968511131 664479829 /nfs/dbraw/zinc/47/98/29/664479829.db2.gz KRPRNHCFQYZGDF-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544679 664480439 /nfs/dbraw/zinc/48/04/39/664480439.db2.gz RXNMYQJDKWGVHE-KOLCDFICSA-N 1 1 320.353 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615579 664481328 /nfs/dbraw/zinc/48/13/28/664481328.db2.gz ZBRSRKGSCQTHQX-PWSUYJOCSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615579 664481330 /nfs/dbraw/zinc/48/13/30/664481330.db2.gz ZBRSRKGSCQTHQX-PWSUYJOCSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC000968683648 664482378 /nfs/dbraw/zinc/48/23/78/664482378.db2.gz VMYHYAAZVVXXRH-SNVBAGLBSA-N 1 1 323.336 -1.375 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968700517 664484208 /nfs/dbraw/zinc/48/42/08/664484208.db2.gz HUJQNBUGZSPLMO-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700517 664484210 /nfs/dbraw/zinc/48/42/10/664484210.db2.gz HUJQNBUGZSPLMO-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700517 664484212 /nfs/dbraw/zinc/48/42/12/664484212.db2.gz HUJQNBUGZSPLMO-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CCC1 ZINC000968698165 664484545 /nfs/dbraw/zinc/48/45/45/664484545.db2.gz NYIXHFCPIGLAQW-MNOVXSKESA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1)c1nnnn1C ZINC000968802222 664486471 /nfs/dbraw/zinc/48/64/71/664486471.db2.gz GVUMUATVIUMCPO-NXEZZACHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000968845874 664487092 /nfs/dbraw/zinc/48/70/92/664487092.db2.gz VSVYKQBOIBLNSP-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO CCN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000968842117 664487109 /nfs/dbraw/zinc/48/71/09/664487109.db2.gz FVXHCCXCLAIOMR-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000968929914 664488050 /nfs/dbraw/zinc/48/80/50/664488050.db2.gz LQACNSUCKGFINY-SECBINFHSA-N 1 1 318.341 -1.197 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000968946470 664488352 /nfs/dbraw/zinc/48/83/52/664488352.db2.gz IJIGTCXVIDDEFS-UTUOFQBUSA-N 1 1 310.354 -1.086 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952181 664488392 /nfs/dbraw/zinc/48/83/92/664488392.db2.gz CYJPKTFKQZDWHS-BDAKNGLRSA-N 1 1 321.341 -1.896 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000968952151 664488609 /nfs/dbraw/zinc/48/86/09/664488609.db2.gz BTCXMJWAXSVFEH-APPZFPTMSA-N 1 1 324.366 -1.173 20 0 DAADMO CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CCNC1=O ZINC000968970584 664488799 /nfs/dbraw/zinc/48/87/99/664488799.db2.gz MMNWYDGPIVJMJC-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)c1nnnn1C ZINC000968986381 664488850 /nfs/dbraw/zinc/48/88/50/664488850.db2.gz IUUOPIDWTDKPKX-RKDXNWHRSA-N 1 1 309.374 -1.027 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000968964625 664488871 /nfs/dbraw/zinc/48/88/71/664488871.db2.gz MXRLBKOUQQYQMU-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)c1nnnn1C ZINC000968986380 664489069 /nfs/dbraw/zinc/48/90/69/664489069.db2.gz IUUOPIDWTDKPKX-DTWKUNHWSA-N 1 1 309.374 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000969067616 664489703 /nfs/dbraw/zinc/48/97/03/664489703.db2.gz OHFMLUTYNSBSLO-JLLWLGSASA-N 1 1 323.353 -1.287 20 0 DAADMO O=C(NC[C@@H]1CCCCC[N@@H+]1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000969054391 664489725 /nfs/dbraw/zinc/48/97/25/664489725.db2.gz SBULDHDTSZEKSQ-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)O1 ZINC000969071781 664489771 /nfs/dbraw/zinc/48/97/71/664489771.db2.gz FXNYWDJWYNHJEJ-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)O1 ZINC000969071781 664489774 /nfs/dbraw/zinc/48/97/74/664489774.db2.gz FXNYWDJWYNHJEJ-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)S(C)(=O)=O ZINC000969102599 664490431 /nfs/dbraw/zinc/49/04/31/664490431.db2.gz IRBWGGLDSSOSII-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001006682598 664491925 /nfs/dbraw/zinc/49/19/25/664491925.db2.gz HKWWCCZLWBAGLR-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001006682598 664491927 /nfs/dbraw/zinc/49/19/27/664491927.db2.gz HKWWCCZLWBAGLR-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1nnc(CN2CCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001007001716 664493477 /nfs/dbraw/zinc/49/34/77/664493477.db2.gz MTDHLHHPMGZAAL-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001007001716 664493478 /nfs/dbraw/zinc/49/34/78/664493478.db2.gz MTDHLHHPMGZAAL-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001007001723 664493495 /nfs/dbraw/zinc/49/34/95/664493495.db2.gz MTDHLHHPMGZAAL-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001007001723 664493496 /nfs/dbraw/zinc/49/34/96/664493496.db2.gz MTDHLHHPMGZAAL-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001006936427 664493530 /nfs/dbraw/zinc/49/35/30/664493530.db2.gz CRRYLGZACACBCM-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167769 664493695 /nfs/dbraw/zinc/49/36/95/664493695.db2.gz OGDGWJPAMNQPQQ-ZJUUUORDSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167769 664493697 /nfs/dbraw/zinc/49/36/97/664493697.db2.gz OGDGWJPAMNQPQQ-ZJUUUORDSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167767 664493882 /nfs/dbraw/zinc/49/38/82/664493882.db2.gz OGDGWJPAMNQPQQ-VHSXEESVSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007167767 664493883 /nfs/dbraw/zinc/49/38/83/664493883.db2.gz OGDGWJPAMNQPQQ-VHSXEESVSA-N 1 1 310.358 -1.172 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001007202312 664493971 /nfs/dbraw/zinc/49/39/71/664493971.db2.gz FMZDJWFEXWDSRR-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001007202312 664493973 /nfs/dbraw/zinc/49/39/73/664493973.db2.gz FMZDJWFEXWDSRR-OLZOCXBDSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccn(C)c(=O)c2)n1 ZINC001038610488 664494037 /nfs/dbraw/zinc/49/40/37/664494037.db2.gz KYWLYVZGAFDRNT-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccn(C)c(=O)c2)n1 ZINC001038610488 664494042 /nfs/dbraw/zinc/49/40/42/664494042.db2.gz KYWLYVZGAFDRNT-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007349115 664494338 /nfs/dbraw/zinc/49/43/38/664494338.db2.gz LCDWJLOXRIUPSK-LLVKDONJSA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007347779 664494701 /nfs/dbraw/zinc/49/47/01/664494701.db2.gz BIMFXGKZCRCFJR-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007347779 664494705 /nfs/dbraw/zinc/49/47/05/664494705.db2.gz BIMFXGKZCRCFJR-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341714 664494746 /nfs/dbraw/zinc/49/47/46/664494746.db2.gz BDASFSUFLNYRHR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341714 664494747 /nfs/dbraw/zinc/49/47/47/664494747.db2.gz BDASFSUFLNYRHR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349136 664494755 /nfs/dbraw/zinc/49/47/55/664494755.db2.gz LGZQBMINRXNPAV-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007349136 664494756 /nfs/dbraw/zinc/49/47/56/664494756.db2.gz LGZQBMINRXNPAV-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372445 664494906 /nfs/dbraw/zinc/49/49/06/664494906.db2.gz MKJXGCYRKSFFMO-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007373277 664494985 /nfs/dbraw/zinc/49/49/85/664494985.db2.gz PZRLGVOJOQLUEY-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)C1 ZINC001007478791 664495158 /nfs/dbraw/zinc/49/51/58/664495158.db2.gz BUTHGNDDMCLBET-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001007522955 664495755 /nfs/dbraw/zinc/49/57/55/664495755.db2.gz WARFXQAXDUZVTQ-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001007522955 664495756 /nfs/dbraw/zinc/49/57/56/664495756.db2.gz WARFXQAXDUZVTQ-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC001007654122 664496388 /nfs/dbraw/zinc/49/63/88/664496388.db2.gz AKYHPHCQAGQYHU-NHYWBVRUSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001007706793 664497362 /nfs/dbraw/zinc/49/73/62/664497362.db2.gz WEMOGNVBKKBNFN-NHYWBVRUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992520 664498421 /nfs/dbraw/zinc/49/84/21/664498421.db2.gz XNWLLFHHCZQAHC-WULFKBJJSA-N 1 1 322.409 -1.085 20 0 DAADMO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001008033608 664498828 /nfs/dbraw/zinc/49/88/28/664498828.db2.gz QXQXVSGSZQCYOW-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001008033608 664498830 /nfs/dbraw/zinc/49/88/30/664498830.db2.gz QXQXVSGSZQCYOW-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001008186429 664499716 /nfs/dbraw/zinc/49/97/16/664499716.db2.gz ZEACCKFIEOGIIV-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001008186429 664499719 /nfs/dbraw/zinc/49/97/19/664499719.db2.gz ZEACCKFIEOGIIV-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001008186430 664499777 /nfs/dbraw/zinc/49/97/77/664499777.db2.gz ZEACCKFIEOGIIV-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001008186430 664499780 /nfs/dbraw/zinc/49/97/80/664499780.db2.gz ZEACCKFIEOGIIV-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008199015 664500249 /nfs/dbraw/zinc/50/02/49/664500249.db2.gz ALGXXMSBNFMFQD-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](CCn3cncn3)C2)n1 ZINC001008230959 664500378 /nfs/dbraw/zinc/50/03/78/664500378.db2.gz NFPOUUUXYJTJLH-JTQLQIEISA-N 1 1 305.346 -1.304 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)C2)n1 ZINC001008230959 664500382 /nfs/dbraw/zinc/50/03/82/664500382.db2.gz NFPOUUUXYJTJLH-JTQLQIEISA-N 1 1 305.346 -1.304 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334997 664501149 /nfs/dbraw/zinc/50/11/49/664501149.db2.gz SFDBWTZOTRYMOV-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001008334997 664501150 /nfs/dbraw/zinc/50/11/50/664501150.db2.gz SFDBWTZOTRYMOV-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001008368869 664501253 /nfs/dbraw/zinc/50/12/53/664501253.db2.gz DFLKTBMWYQXAER-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001008368869 664501256 /nfs/dbraw/zinc/50/12/56/664501256.db2.gz DFLKTBMWYQXAER-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365507 664501361 /nfs/dbraw/zinc/50/13/61/664501361.db2.gz OLRUHOHGQFOANN-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365507 664501363 /nfs/dbraw/zinc/50/13/63/664501363.db2.gz OLRUHOHGQFOANN-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001008375162 664501409 /nfs/dbraw/zinc/50/14/09/664501409.db2.gz QDEVWNMKJYXRRX-WDEREUQCSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001008372921 664501767 /nfs/dbraw/zinc/50/17/67/664501767.db2.gz KTSSZFOQBGICQH-WDEREUQCSA-N 1 1 324.385 -1.726 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378526 664501804 /nfs/dbraw/zinc/50/18/04/664501804.db2.gz YIENWHCXQALXJF-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378526 664501805 /nfs/dbraw/zinc/50/18/05/664501805.db2.gz YIENWHCXQALXJF-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001008490259 664502139 /nfs/dbraw/zinc/50/21/39/664502139.db2.gz ZEQBBENZFAXJGZ-QMMMGPOBSA-N 1 1 317.371 -1.756 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008738262 664503985 /nfs/dbraw/zinc/50/39/85/664503985.db2.gz RIBYERQGWYNIPI-MNOVXSKESA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008738261 664504053 /nfs/dbraw/zinc/50/40/53/664504053.db2.gz RIBYERQGWYNIPI-GHMZBOCLSA-N 1 1 324.381 -1.341 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001008827851 664504241 /nfs/dbraw/zinc/50/42/41/664504241.db2.gz LWQNGZBBYXCZEZ-GFCCVEGCSA-N 1 1 324.385 -1.248 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001008845459 664504249 /nfs/dbraw/zinc/50/42/49/664504249.db2.gz JWEPCYURCVPXDL-LOIXOFCESA-N 1 1 324.381 -1.062 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846624 664504326 /nfs/dbraw/zinc/50/43/26/664504326.db2.gz FBZPQQYXZSMPOX-GHMZBOCLSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846624 664504329 /nfs/dbraw/zinc/50/43/29/664504329.db2.gz FBZPQQYXZSMPOX-GHMZBOCLSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846631 664504429 /nfs/dbraw/zinc/50/44/29/664504429.db2.gz FBZPQQYXZSMPOX-WDEREUQCSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846631 664504430 /nfs/dbraw/zinc/50/44/30/664504430.db2.gz FBZPQQYXZSMPOX-WDEREUQCSA-N 1 1 324.381 -1.116 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001008845790 664504470 /nfs/dbraw/zinc/50/44/70/664504470.db2.gz MIPAAGILFUQIKG-XIRUVYRFSA-N 1 1 310.354 -1.453 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863153 664504830 /nfs/dbraw/zinc/50/48/30/664504830.db2.gz PSEDRENKZCXQKY-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863153 664504831 /nfs/dbraw/zinc/50/48/31/664504831.db2.gz PSEDRENKZCXQKY-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001009118439 664505445 /nfs/dbraw/zinc/50/54/45/664505445.db2.gz ASOJRZMWMWVOHL-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001009118439 664505447 /nfs/dbraw/zinc/50/54/47/664505447.db2.gz ASOJRZMWMWVOHL-YFKTTZPYSA-N 1 1 324.381 -1.987 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009105558 664505462 /nfs/dbraw/zinc/50/54/62/664505462.db2.gz QPISBBJKNLTFCU-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009105553 664505502 /nfs/dbraw/zinc/50/55/02/664505502.db2.gz QPISBBJKNLTFCU-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001009063226 664505532 /nfs/dbraw/zinc/50/55/32/664505532.db2.gz KHIIKHYWVBNRJN-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206917 664506231 /nfs/dbraw/zinc/50/62/31/664506231.db2.gz ZYBGRXZUVCJFCC-NXEZZACHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450215 664508016 /nfs/dbraw/zinc/50/80/16/664508016.db2.gz AAULJYPXHHNCIN-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450215 664508019 /nfs/dbraw/zinc/50/80/19/664508019.db2.gz AAULJYPXHHNCIN-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457641 664508307 /nfs/dbraw/zinc/50/83/07/664508307.db2.gz JKGRSEKVGPPOTO-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457641 664508309 /nfs/dbraw/zinc/50/83/09/664508309.db2.gz JKGRSEKVGPPOTO-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458714 664508605 /nfs/dbraw/zinc/50/86/05/664508605.db2.gz LXZNMSLYOYSCAT-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458714 664508608 /nfs/dbraw/zinc/50/86/08/664508608.db2.gz LXZNMSLYOYSCAT-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009635029 664509194 /nfs/dbraw/zinc/50/91/94/664509194.db2.gz KPLPPTVILSRAAK-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009633127 664509209 /nfs/dbraw/zinc/50/92/09/664509209.db2.gz GNRWNHSPVSGRFL-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)nn1 ZINC001009633931 664509482 /nfs/dbraw/zinc/50/94/82/664509482.db2.gz HHUROBKAHISQQQ-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649166 664509498 /nfs/dbraw/zinc/50/94/98/664509498.db2.gz QBJNWHQTHLQMPJ-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001009649166 664509499 /nfs/dbraw/zinc/50/94/99/664509499.db2.gz QBJNWHQTHLQMPJ-WDEREUQCSA-N 1 1 321.381 -1.194 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009820005 664511184 /nfs/dbraw/zinc/51/11/84/664511184.db2.gz ZGHUARSJXPKPBU-RKDXNWHRSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009820005 664511186 /nfs/dbraw/zinc/51/11/86/664511186.db2.gz ZGHUARSJXPKPBU-RKDXNWHRSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030642 664512000 /nfs/dbraw/zinc/51/20/00/664512000.db2.gz NDFUUUUEUGFFEW-NEPJUHHUSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030642 664512002 /nfs/dbraw/zinc/51/20/02/664512002.db2.gz NDFUUUUEUGFFEW-NEPJUHHUSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020726 664512117 /nfs/dbraw/zinc/51/21/17/664512117.db2.gz KLBRUUOVPKNXDC-NXEZZACHSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020726 664512119 /nfs/dbraw/zinc/51/21/19/664512119.db2.gz KLBRUUOVPKNXDC-NXEZZACHSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050079 664512261 /nfs/dbraw/zinc/51/22/61/664512261.db2.gz JBIWRXRELLPHTB-SCZZXKLOSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050079 664512264 /nfs/dbraw/zinc/51/22/64/664512264.db2.gz JBIWRXRELLPHTB-SCZZXKLOSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050080 664512331 /nfs/dbraw/zinc/51/23/31/664512331.db2.gz JBIWRXRELLPHTB-WCBMZHEXSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ccc(=O)[nH]n1 ZINC001010050080 664512335 /nfs/dbraw/zinc/51/23/35/664512335.db2.gz JBIWRXRELLPHTB-WCBMZHEXSA-N 1 1 319.321 -1.209 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010109263 664512492 /nfs/dbraw/zinc/51/24/92/664512492.db2.gz SEXGWKZKYIJYBK-LBPRGKRZSA-N 1 1 319.373 -1.228 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010109190 664512584 /nfs/dbraw/zinc/51/25/84/664512584.db2.gz RNFPPFUDTYKKFE-IUCAKERBSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010109190 664512585 /nfs/dbraw/zinc/51/25/85/664512585.db2.gz RNFPPFUDTYKKFE-IUCAKERBSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001010091305 664512599 /nfs/dbraw/zinc/51/25/99/664512599.db2.gz ZTAKWEQXYACJRA-MNOVXSKESA-N 1 1 317.357 -1.357 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010088475 664512657 /nfs/dbraw/zinc/51/26/57/664512657.db2.gz PPBNMIYDHZAITG-LLVKDONJSA-N 1 1 304.358 -1.160 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090907 664512824 /nfs/dbraw/zinc/51/28/24/664512824.db2.gz YHZVZXFPFFQLJD-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090907 664512825 /nfs/dbraw/zinc/51/28/25/664512825.db2.gz YHZVZXFPFFQLJD-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)cn1 ZINC001010079218 664512938 /nfs/dbraw/zinc/51/29/38/664512938.db2.gz MRHOJGGVYQUGET-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1COCCO1 ZINC001010281515 664514065 /nfs/dbraw/zinc/51/40/65/664514065.db2.gz VNBUWAUTFCBABJ-NEPJUHHUSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1COCCO1 ZINC001010281528 664514179 /nfs/dbraw/zinc/51/41/79/664514179.db2.gz VNBUWAUTFCBABJ-VXGBXAGGSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010350009 664514792 /nfs/dbraw/zinc/51/47/92/664514792.db2.gz SGBBNGIBCOVUHH-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010350009 664514793 /nfs/dbraw/zinc/51/47/93/664514793.db2.gz SGBBNGIBCOVUHH-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001010351158 664514810 /nfs/dbraw/zinc/51/48/10/664514810.db2.gz UBHVHGQVGIWKBM-CYBMUJFWSA-N 1 1 321.381 -1.116 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001010351158 664514812 /nfs/dbraw/zinc/51/48/12/664514812.db2.gz UBHVHGQVGIWKBM-CYBMUJFWSA-N 1 1 321.381 -1.116 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010380720 664514942 /nfs/dbraw/zinc/51/49/42/664514942.db2.gz DGHBEMMVUWSLNV-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001010383732 664515105 /nfs/dbraw/zinc/51/51/05/664515105.db2.gz YGBPYOHFAGKVTJ-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCC(=O)N1 ZINC001010387306 664515122 /nfs/dbraw/zinc/51/51/22/664515122.db2.gz ZNHMFBRMYSOZMF-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426087 664515603 /nfs/dbraw/zinc/51/56/03/664515603.db2.gz GWZVRTGKTOBEHX-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(CCS(C)(=O)=O)C2)C1 ZINC001010426087 664515605 /nfs/dbraw/zinc/51/56/05/664515605.db2.gz GWZVRTGKTOBEHX-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010414730 664515875 /nfs/dbraw/zinc/51/58/75/664515875.db2.gz HBZQAIISILYOMC-LLVKDONJSA-N 1 1 320.353 -1.306 20 0 DAADMO Cn1nncc1CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426683 664515942 /nfs/dbraw/zinc/51/59/42/664515942.db2.gz IYAHZEXNDJCUOP-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426683 664515944 /nfs/dbraw/zinc/51/59/44/664515944.db2.gz IYAHZEXNDJCUOP-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001010426392 664516015 /nfs/dbraw/zinc/51/60/15/664516015.db2.gz HOFZWVCVTLQHFQ-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001010426392 664516016 /nfs/dbraw/zinc/51/60/16/664516016.db2.gz HOFZWVCVTLQHFQ-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC(=O)C1 ZINC001010537746 664516198 /nfs/dbraw/zinc/51/61/98/664516198.db2.gz LBNDYUDFFOPCEI-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001010546639 664516469 /nfs/dbraw/zinc/51/64/69/664516469.db2.gz QOGXSIUFYYLXFJ-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)c1 ZINC001010570766 664516840 /nfs/dbraw/zinc/51/68/40/664516840.db2.gz RLCZOAZTRIUGBB-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)c1 ZINC001010570766 664516842 /nfs/dbraw/zinc/51/68/42/664516842.db2.gz RLCZOAZTRIUGBB-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010667870 664517087 /nfs/dbraw/zinc/51/70/87/664517087.db2.gz KKZXIHSOMXODSO-JTQLQIEISA-N 1 1 308.342 -1.594 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010667870 664517091 /nfs/dbraw/zinc/51/70/91/664517091.db2.gz KKZXIHSOMXODSO-JTQLQIEISA-N 1 1 308.342 -1.594 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010662414 664517330 /nfs/dbraw/zinc/51/73/30/664517330.db2.gz LZGQRPJGCJWTSF-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010687742 664517514 /nfs/dbraw/zinc/51/75/14/664517514.db2.gz FNUFFOSLACTNNV-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010687742 664517519 /nfs/dbraw/zinc/51/75/19/664517519.db2.gz FNUFFOSLACTNNV-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010699129 664518057 /nfs/dbraw/zinc/51/80/57/664518057.db2.gz RFXFZCWMJVWMMA-JTQLQIEISA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010699129 664518060 /nfs/dbraw/zinc/51/80/60/664518060.db2.gz RFXFZCWMJVWMMA-JTQLQIEISA-N 1 1 308.342 -1.547 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695913 664518093 /nfs/dbraw/zinc/51/80/93/664518093.db2.gz FHQCXEVGGTZRFF-UWVGGRQHSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695913 664518095 /nfs/dbraw/zinc/51/80/95/664518095.db2.gz FHQCXEVGGTZRFF-UWVGGRQHSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696605 664518164 /nfs/dbraw/zinc/51/81/64/664518164.db2.gz HZAACVNXDZBJPQ-GXSJLCMTSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696605 664518168 /nfs/dbraw/zinc/51/81/68/664518168.db2.gz HZAACVNXDZBJPQ-GXSJLCMTSA-N 1 1 322.369 -1.159 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010696582 664518277 /nfs/dbraw/zinc/51/82/77/664518277.db2.gz HLYYMBZIYRRVQM-RKDXNWHRSA-N 1 1 322.325 -2.021 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010696582 664518280 /nfs/dbraw/zinc/51/82/80/664518280.db2.gz HLYYMBZIYRRVQM-RKDXNWHRSA-N 1 1 322.325 -2.021 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001010699084 664518340 /nfs/dbraw/zinc/51/83/40/664518340.db2.gz QTPOZKLIGPCBRR-ZJUUUORDSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001010699084 664518346 /nfs/dbraw/zinc/51/83/46/664518346.db2.gz QTPOZKLIGPCBRR-ZJUUUORDSA-N 1 1 308.342 -1.547 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697278 664518479 /nfs/dbraw/zinc/51/84/79/664518479.db2.gz JLIITVKCZUDJSB-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697278 664518481 /nfs/dbraw/zinc/51/84/81/664518481.db2.gz JLIITVKCZUDJSB-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)c1N ZINC001010711399 664518752 /nfs/dbraw/zinc/51/87/52/664518752.db2.gz CLHUDPVGGYCLMC-SNVBAGLBSA-N 1 1 321.385 -1.168 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cnnn2)CC1 ZINC001010720706 664518949 /nfs/dbraw/zinc/51/89/49/664518949.db2.gz JUZIEOOJDSQPER-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001010780211 664519269 /nfs/dbraw/zinc/51/92/69/664519269.db2.gz LBJXVEWIJOBMCF-STQMWFEESA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001010780211 664519270 /nfs/dbraw/zinc/51/92/70/664519270.db2.gz LBJXVEWIJOBMCF-STQMWFEESA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784650 664519343 /nfs/dbraw/zinc/51/93/43/664519343.db2.gz PXNUUWYWLDGZTB-RYUDHWBXSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784650 664519344 /nfs/dbraw/zinc/51/93/44/664519344.db2.gz PXNUUWYWLDGZTB-RYUDHWBXSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)C1 ZINC001010780210 664519430 /nfs/dbraw/zinc/51/94/30/664519430.db2.gz LBJXVEWIJOBMCF-QWHCGFSZSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)C1 ZINC001010780210 664519433 /nfs/dbraw/zinc/51/94/33/664519433.db2.gz LBJXVEWIJOBMCF-QWHCGFSZSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010793026 664519826 /nfs/dbraw/zinc/51/98/26/664519826.db2.gz FLCIHHWNYMUFSA-CMPLNLGQSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1nccc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010793026 664519828 /nfs/dbraw/zinc/51/98/28/664519828.db2.gz FLCIHHWNYMUFSA-CMPLNLGQSA-N 1 1 319.365 -1.042 20 0 DAADMO NC(=O)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001010804880 664520027 /nfs/dbraw/zinc/52/00/27/664520027.db2.gz WFKSMKLPBCCADZ-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010813885 664520486 /nfs/dbraw/zinc/52/04/86/664520486.db2.gz YVWRWBKIFGOVNF-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010813885 664520487 /nfs/dbraw/zinc/52/04/87/664520487.db2.gz YVWRWBKIFGOVNF-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813962 664520613 /nfs/dbraw/zinc/52/06/13/664520613.db2.gz DXDGYKQXLUJTLW-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813962 664520615 /nfs/dbraw/zinc/52/06/15/664520615.db2.gz DXDGYKQXLUJTLW-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001010833734 664521005 /nfs/dbraw/zinc/52/10/05/664521005.db2.gz AGOPNQUHVSWXID-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010828511 664521354 /nfs/dbraw/zinc/52/13/54/664521354.db2.gz XRGHGMWQXIEEBX-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)nn1 ZINC001010875401 664521765 /nfs/dbraw/zinc/52/17/65/664521765.db2.gz XVHITUYIOYFVDA-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)nn1 ZINC001010875401 664521768 /nfs/dbraw/zinc/52/17/68/664521768.db2.gz XVHITUYIOYFVDA-SNVBAGLBSA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001010873906 664521948 /nfs/dbraw/zinc/52/19/48/664521948.db2.gz CGJHAIKOQZHLSE-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001010873906 664521949 /nfs/dbraw/zinc/52/19/49/664521949.db2.gz CGJHAIKOQZHLSE-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001010878668 664521961 /nfs/dbraw/zinc/52/19/61/664521961.db2.gz QHIHMBSLBJAKHE-RFQIPJPRSA-N 1 1 323.393 -1.120 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001010878668 664521963 /nfs/dbraw/zinc/52/19/63/664521963.db2.gz QHIHMBSLBJAKHE-RFQIPJPRSA-N 1 1 323.393 -1.120 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876892 664522132 /nfs/dbraw/zinc/52/21/32/664522132.db2.gz MRYJJMZYOBECSQ-NXEZZACHSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876892 664522134 /nfs/dbraw/zinc/52/21/34/664522134.db2.gz MRYJJMZYOBECSQ-NXEZZACHSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nonc1C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001010874268 664522138 /nfs/dbraw/zinc/52/21/38/664522138.db2.gz BVLCOLPXKBXJRI-NSHDSACASA-N 1 1 323.353 -1.007 20 0 DAADMO Cc1nonc1C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001010874268 664522140 /nfs/dbraw/zinc/52/21/40/664522140.db2.gz BVLCOLPXKBXJRI-NSHDSACASA-N 1 1 323.353 -1.007 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001011075871 664525000 /nfs/dbraw/zinc/52/50/00/664525000.db2.gz BWXQTXANAJEISX-NSHDSACASA-N 1 1 321.337 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011175844 664526830 /nfs/dbraw/zinc/52/68/30/664526830.db2.gz JRMYFPZHWSONNP-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011164140 664526869 /nfs/dbraw/zinc/52/68/69/664526869.db2.gz JYWHLOWKOPBVPQ-UHFFFAOYSA-N 1 1 318.341 -1.451 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176675 664527042 /nfs/dbraw/zinc/52/70/42/664527042.db2.gz PTKSHTUPOHULFM-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176676 664527105 /nfs/dbraw/zinc/52/71/05/664527105.db2.gz PTKSHTUPOHULFM-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001011208852 664527452 /nfs/dbraw/zinc/52/74/52/664527452.db2.gz RYQKYMCJRDRZTH-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001011405744 664529606 /nfs/dbraw/zinc/52/96/06/664529606.db2.gz VVRVZYGBQWQWNO-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001011578279 664531460 /nfs/dbraw/zinc/53/14/60/664531460.db2.gz OWHLUPCVTIIBIW-UHFFFAOYSA-N 1 1 318.341 -1.300 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001011900253 664535498 /nfs/dbraw/zinc/53/54/98/664535498.db2.gz VYJAKLVHMGCNHN-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012144073 664539168 /nfs/dbraw/zinc/53/91/68/664539168.db2.gz OXIATQMTHYNRFV-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012144073 664539171 /nfs/dbraw/zinc/53/91/71/664539171.db2.gz OXIATQMTHYNRFV-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347770 664562261 /nfs/dbraw/zinc/56/22/61/664562261.db2.gz HFQPLTWAYSAKGK-ZJUUUORDSA-N 1 1 303.384 -1.502 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347770 664562264 /nfs/dbraw/zinc/56/22/64/664562264.db2.gz HFQPLTWAYSAKGK-ZJUUUORDSA-N 1 1 303.384 -1.502 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001013071331 664546224 /nfs/dbraw/zinc/54/62/24/664546224.db2.gz SCFSKMJXZIREEB-RKDXNWHRSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC001013240416 664547241 /nfs/dbraw/zinc/54/72/41/664547241.db2.gz NWXLYPAOGBDMST-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397772 664553402 /nfs/dbraw/zinc/55/34/02/664553402.db2.gz RLDACFYZBBTEAA-VHSXEESVSA-N 1 1 320.353 -1.349 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397772 664553405 /nfs/dbraw/zinc/55/34/05/664553405.db2.gz RLDACFYZBBTEAA-VHSXEESVSA-N 1 1 320.353 -1.349 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397775 664553550 /nfs/dbraw/zinc/55/35/50/664553550.db2.gz RLDACFYZBBTEAA-ZJUUUORDSA-N 1 1 320.353 -1.349 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397775 664553556 /nfs/dbraw/zinc/55/35/56/664553556.db2.gz RLDACFYZBBTEAA-ZJUUUORDSA-N 1 1 320.353 -1.349 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392233 664553783 /nfs/dbraw/zinc/55/37/83/664553783.db2.gz DMFXEKVXBRHYNV-NWDGAFQWSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392233 664553786 /nfs/dbraw/zinc/55/37/86/664553786.db2.gz DMFXEKVXBRHYNV-NWDGAFQWSA-N 1 1 319.365 -1.042 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425310 664553955 /nfs/dbraw/zinc/55/39/55/664553955.db2.gz DNNCVKUOPLVGOP-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425310 664553956 /nfs/dbraw/zinc/55/39/56/664553956.db2.gz DNNCVKUOPLVGOP-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014425104 664554014 /nfs/dbraw/zinc/55/40/14/664554014.db2.gz CUGRMGCJTJZNMB-LLVKDONJSA-N 1 1 304.358 -1.160 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001014428085 664554062 /nfs/dbraw/zinc/55/40/62/664554062.db2.gz KAWYGMFSALJKSS-QWRGUYRKSA-N 1 1 317.357 -1.357 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431817 664554581 /nfs/dbraw/zinc/55/45/81/664554581.db2.gz VRZNVOSOEXWVGQ-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014431817 664554586 /nfs/dbraw/zinc/55/45/86/664554586.db2.gz VRZNVOSOEXWVGQ-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001014432521 664554751 /nfs/dbraw/zinc/55/47/51/664554751.db2.gz ZCTIHTNNOXBIKV-GHMZBOCLSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014447883 664554983 /nfs/dbraw/zinc/55/49/83/664554983.db2.gz QYVFLFQSAKEHOZ-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014448376 664554998 /nfs/dbraw/zinc/55/49/98/664554998.db2.gz WJBJQBGUDHTWCS-SECBINFHSA-N 1 1 322.329 -2.585 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001014507832 664555324 /nfs/dbraw/zinc/55/53/24/664555324.db2.gz LMCJFMDDBIPWPH-QWRGUYRKSA-N 1 1 322.369 -1.396 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001014503946 664555350 /nfs/dbraw/zinc/55/53/50/664555350.db2.gz SYAHAYCWLMTYEE-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014489255 664555442 /nfs/dbraw/zinc/55/54/42/664555442.db2.gz BYUOJMGIYMUUDS-BDAKNGLRSA-N 1 1 321.341 -2.544 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014489255 664555444 /nfs/dbraw/zinc/55/54/44/664555444.db2.gz BYUOJMGIYMUUDS-BDAKNGLRSA-N 1 1 321.341 -2.544 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014500176 664555636 /nfs/dbraw/zinc/55/56/36/664555636.db2.gz GZNNNZNDNZPDGY-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014570071 664555991 /nfs/dbraw/zinc/55/59/91/664555991.db2.gz DBFMVTVSMMPUFZ-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014710100 664556675 /nfs/dbraw/zinc/55/66/75/664556675.db2.gz DNGRJEXAPMECNN-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014710100 664556677 /nfs/dbraw/zinc/55/66/77/664556677.db2.gz DNGRJEXAPMECNN-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001014643262 664556727 /nfs/dbraw/zinc/55/67/27/664556727.db2.gz MZRDZCAMGAFQPZ-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1=O ZINC001014638882 664556922 /nfs/dbraw/zinc/55/69/22/664556922.db2.gz WWEQYDQEVXSJTJ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739270 664557162 /nfs/dbraw/zinc/55/71/62/664557162.db2.gz DFQJFKLTTIOBFG-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739270 664557163 /nfs/dbraw/zinc/55/71/63/664557163.db2.gz DFQJFKLTTIOBFG-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739261 664557242 /nfs/dbraw/zinc/55/72/42/664557242.db2.gz DFQJFKLTTIOBFG-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739261 664557243 /nfs/dbraw/zinc/55/72/43/664557243.db2.gz DFQJFKLTTIOBFG-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001014740360 664557381 /nfs/dbraw/zinc/55/73/81/664557381.db2.gz KYJKCYRFXWJQJH-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001014740360 664557383 /nfs/dbraw/zinc/55/73/83/664557383.db2.gz KYJKCYRFXWJQJH-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014770097 664557528 /nfs/dbraw/zinc/55/75/28/664557528.db2.gz OBNAJEZPUBNWQM-ZJUUUORDSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014770097 664557531 /nfs/dbraw/zinc/55/75/31/664557531.db2.gz OBNAJEZPUBNWQM-ZJUUUORDSA-N 1 1 323.353 -1.946 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)cc1=O ZINC001014797856 664557574 /nfs/dbraw/zinc/55/75/74/664557574.db2.gz UOHWIYKEAQBAKY-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001014785047 664557715 /nfs/dbraw/zinc/55/77/15/664557715.db2.gz LAUIUABOUHQVEG-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001014785047 664557718 /nfs/dbraw/zinc/55/77/18/664557718.db2.gz LAUIUABOUHQVEG-PWSUYJOCSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794162 664557763 /nfs/dbraw/zinc/55/77/63/664557763.db2.gz ALBIPUYEIPLDAH-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794162 664557765 /nfs/dbraw/zinc/55/77/65/664557765.db2.gz ALBIPUYEIPLDAH-NXEZZACHSA-N 1 1 307.354 -1.281 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001014785043 664557823 /nfs/dbraw/zinc/55/78/23/664557823.db2.gz LAUIUABOUHQVEG-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001014785043 664557824 /nfs/dbraw/zinc/55/78/24/664557824.db2.gz LAUIUABOUHQVEG-CMPLNLGQSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCCNC1=O ZINC001014820243 664558001 /nfs/dbraw/zinc/55/80/01/664558001.db2.gz BHTJIMZIXQPIJK-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)O1 ZINC001014922353 664558558 /nfs/dbraw/zinc/55/85/58/664558558.db2.gz BVQRAJCSONJAEC-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(CC(=O)N(C)C)C2)O1 ZINC001014922353 664558560 /nfs/dbraw/zinc/55/85/60/664558560.db2.gz BVQRAJCSONJAEC-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)O1 ZINC001014922455 664558591 /nfs/dbraw/zinc/55/85/91/664558591.db2.gz CCVDBEDEOOVNNW-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)O1 ZINC001014922455 664558594 /nfs/dbraw/zinc/55/85/94/664558594.db2.gz CCVDBEDEOOVNNW-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937948 664558666 /nfs/dbraw/zinc/55/86/66/664558666.db2.gz OYBZGBSRNCKYNK-GXSJLCMTSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937948 664558667 /nfs/dbraw/zinc/55/86/67/664558667.db2.gz OYBZGBSRNCKYNK-GXSJLCMTSA-N 1 1 319.365 -1.213 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1=O ZINC001015004514 664558844 /nfs/dbraw/zinc/55/88/44/664558844.db2.gz QOJLANAFAPQSCF-WDEREUQCSA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1=O ZINC001015004514 664558846 /nfs/dbraw/zinc/55/88/46/664558846.db2.gz QOJLANAFAPQSCF-WDEREUQCSA-N 1 1 322.369 -1.997 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005779 664558916 /nfs/dbraw/zinc/55/89/16/664558916.db2.gz WTPAYIJNZKHXRE-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005779 664558919 /nfs/dbraw/zinc/55/89/19/664558919.db2.gz WTPAYIJNZKHXRE-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014993510 664558946 /nfs/dbraw/zinc/55/89/46/664558946.db2.gz ACBIGGCHNNSBSM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015000684 664559036 /nfs/dbraw/zinc/55/90/36/664559036.db2.gz QOBCJRDFRQDLKS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c1=O ZINC001015009477 664559391 /nfs/dbraw/zinc/55/93/91/664559391.db2.gz NVHQKOIFEMWQPY-VXGBXAGGSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)c1=O ZINC001015008833 664559413 /nfs/dbraw/zinc/55/94/13/664559413.db2.gz LIEYDOYKRKXNGS-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)c1=O ZINC001015008833 664559415 /nfs/dbraw/zinc/55/94/15/664559415.db2.gz LIEYDOYKRKXNGS-MNOVXSKESA-N 1 1 322.369 -1.949 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015027766 664559620 /nfs/dbraw/zinc/55/96/20/664559620.db2.gz ZSLARZHKTLBMGN-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015027766 664559622 /nfs/dbraw/zinc/55/96/22/664559622.db2.gz ZSLARZHKTLBMGN-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)NC1 ZINC001015051292 664559769 /nfs/dbraw/zinc/55/97/69/664559769.db2.gz ZTFLGBCDPGBZHN-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015082016 664560446 /nfs/dbraw/zinc/56/04/46/664560446.db2.gz TXGCEHGURNOSES-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015082016 664560448 /nfs/dbraw/zinc/56/04/48/664560448.db2.gz TXGCEHGURNOSES-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092149 664560477 /nfs/dbraw/zinc/56/04/77/664560477.db2.gz SICLLPWHSZVLAL-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092149 664560481 /nfs/dbraw/zinc/56/04/81/664560481.db2.gz SICLLPWHSZVLAL-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015130357 664560920 /nfs/dbraw/zinc/56/09/20/664560920.db2.gz ZIPTYJDXGUINCB-WDEREUQCSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015130357 664560922 /nfs/dbraw/zinc/56/09/22/664560922.db2.gz ZIPTYJDXGUINCB-WDEREUQCSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)ncc1=O ZINC001015326499 664561812 /nfs/dbraw/zinc/56/18/12/664561812.db2.gz ACYKVCFUQVDODJ-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO NC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015323870 664562123 /nfs/dbraw/zinc/56/21/23/664562123.db2.gz LUAQVNYRDVVNOF-HFXYEQLZSA-N 1 1 308.382 -1.475 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015291875 664562194 /nfs/dbraw/zinc/56/21/94/664562194.db2.gz XAKJGWNIEDYTQZ-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001015329952 664562456 /nfs/dbraw/zinc/56/24/56/664562456.db2.gz NZBVFYIHMXSCRE-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001015329952 664562457 /nfs/dbraw/zinc/56/24/57/664562457.db2.gz NZBVFYIHMXSCRE-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001015329955 664562503 /nfs/dbraw/zinc/56/25/03/664562503.db2.gz NZBVFYIHMXSCRE-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001015329955 664562504 /nfs/dbraw/zinc/56/25/04/664562504.db2.gz NZBVFYIHMXSCRE-ONGXEEELSA-N 1 1 305.338 -1.527 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330987 664562571 /nfs/dbraw/zinc/56/25/71/664562571.db2.gz XPZXLDWYNDBGMK-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330987 664562572 /nfs/dbraw/zinc/56/25/72/664562572.db2.gz XPZXLDWYNDBGMK-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508167 664563423 /nfs/dbraw/zinc/56/34/23/664563423.db2.gz HKVMAWYORVXNLC-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508167 664563424 /nfs/dbraw/zinc/56/34/24/664563424.db2.gz HKVMAWYORVXNLC-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001015501436 664563427 /nfs/dbraw/zinc/56/34/27/664563427.db2.gz AOCRDJKXNCYDTC-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001015501436 664563428 /nfs/dbraw/zinc/56/34/28/664563428.db2.gz AOCRDJKXNCYDTC-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001015501439 664563531 /nfs/dbraw/zinc/56/35/31/664563531.db2.gz AOCRDJKXNCYDTC-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001015501439 664563534 /nfs/dbraw/zinc/56/35/34/664563534.db2.gz AOCRDJKXNCYDTC-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015509645 664563808 /nfs/dbraw/zinc/56/38/08/664563808.db2.gz OZXFLZZQJIFINV-RYUDHWBXSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015509645 664563810 /nfs/dbraw/zinc/56/38/10/664563810.db2.gz OZXFLZZQJIFINV-RYUDHWBXSA-N 1 1 323.397 -2.113 20 0 DAADMO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)c[nH]c1=O ZINC001015513150 664564001 /nfs/dbraw/zinc/56/40/01/664564001.db2.gz BAYBDRBAXXKISE-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015510500 664564090 /nfs/dbraw/zinc/56/40/90/664564090.db2.gz RVWUYVOWANZBGX-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015510500 664564091 /nfs/dbraw/zinc/56/40/91/664564091.db2.gz RVWUYVOWANZBGX-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCOCC1 ZINC001015549264 664564267 /nfs/dbraw/zinc/56/42/67/664564267.db2.gz BYDWNRGHEAPDQS-CXTNEJHOSA-N 1 1 323.393 -1.072 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCOCC1 ZINC001015549264 664564270 /nfs/dbraw/zinc/56/42/70/664564270.db2.gz BYDWNRGHEAPDQS-CXTNEJHOSA-N 1 1 323.393 -1.072 20 0 DAADMO Cn1c(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515778 664564291 /nfs/dbraw/zinc/56/42/91/664564291.db2.gz YEDBIAFEPDEUTA-IUCAKERBSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1c(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515778 664564292 /nfs/dbraw/zinc/56/42/92/664564292.db2.gz YEDBIAFEPDEUTA-IUCAKERBSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1c(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515776 664564404 /nfs/dbraw/zinc/56/44/04/664564404.db2.gz YEDBIAFEPDEUTA-DTWKUNHWSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1c(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515776 664564405 /nfs/dbraw/zinc/56/44/05/664564405.db2.gz YEDBIAFEPDEUTA-DTWKUNHWSA-N 1 1 321.337 -1.265 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CCNC1=O ZINC001015516133 664564589 /nfs/dbraw/zinc/56/45/89/664564589.db2.gz ANCGMYNXAMVFRL-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)n1 ZINC001015552760 664564725 /nfs/dbraw/zinc/56/47/25/664564725.db2.gz GRFWRNAXIZUYKC-UWVGGRQHSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)n1 ZINC001015554618 664565269 /nfs/dbraw/zinc/56/52/69/664565269.db2.gz OYHVFIIHRPBHTN-MNOVXSKESA-N 1 1 321.385 -1.070 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622415 664565451 /nfs/dbraw/zinc/56/54/51/664565451.db2.gz GXMUMIZJIRSNSB-MWLCHTKSSA-N 1 1 305.338 -1.195 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622415 664565454 /nfs/dbraw/zinc/56/54/54/664565454.db2.gz GXMUMIZJIRSNSB-MWLCHTKSSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)c1c[nH]c(=O)cn1 ZINC001015622004 664565509 /nfs/dbraw/zinc/56/55/09/664565509.db2.gz ANXMEUFGJWICOU-JTQLQIEISA-N 1 1 303.326 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570311 664565798 /nfs/dbraw/zinc/56/57/98/664565798.db2.gz UPAMFHMHDBSOFW-HMUNZLOLSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570311 664565800 /nfs/dbraw/zinc/56/58/00/664565800.db2.gz UPAMFHMHDBSOFW-HMUNZLOLSA-N 1 1 307.350 -1.126 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633837 664565928 /nfs/dbraw/zinc/56/59/28/664565928.db2.gz JETODMOGAJLRCA-MWLCHTKSSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633837 664565929 /nfs/dbraw/zinc/56/59/29/664565929.db2.gz JETODMOGAJLRCA-MWLCHTKSSA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633192 664565963 /nfs/dbraw/zinc/56/59/63/664565963.db2.gz DLRHOPMRKUWMKK-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633192 664565964 /nfs/dbraw/zinc/56/59/64/664565964.db2.gz DLRHOPMRKUWMKK-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1)N1CCC1 ZINC001015626132 664566145 /nfs/dbraw/zinc/56/61/45/664566145.db2.gz HYVDTEJAELOYAX-SNVBAGLBSA-N 1 1 305.338 -1.194 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1)N1CCC1 ZINC001015626132 664566147 /nfs/dbraw/zinc/56/61/47/664566147.db2.gz HYVDTEJAELOYAX-SNVBAGLBSA-N 1 1 305.338 -1.194 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1=O ZINC001015634571 664566173 /nfs/dbraw/zinc/56/61/73/664566173.db2.gz MKHMHUGHHFPBIV-RYUDHWBXSA-N 1 1 319.365 -1.243 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015634063 664566220 /nfs/dbraw/zinc/56/62/20/664566220.db2.gz KIMBPHBBMCXVOM-BDAKNGLRSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015638274 664566432 /nfs/dbraw/zinc/56/64/32/664566432.db2.gz VMLMVYAAJMULDV-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635677 664566519 /nfs/dbraw/zinc/56/65/19/664566519.db2.gz VNAMXJRMXQXZNI-RYUDHWBXSA-N 1 1 321.385 -1.233 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1n[nH]cc1F ZINC001015666677 664566857 /nfs/dbraw/zinc/56/68/57/664566857.db2.gz XVHAPWWWFZNGLH-QMMMGPOBSA-N 1 1 324.316 -1.095 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1n[nH]cc1F ZINC001015666677 664566858 /nfs/dbraw/zinc/56/68/58/664566858.db2.gz XVHAPWWWFZNGLH-QMMMGPOBSA-N 1 1 324.316 -1.095 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658553 664566971 /nfs/dbraw/zinc/56/69/71/664566971.db2.gz PPRVAAOYPRPWPH-WCBMZHEXSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658553 664566974 /nfs/dbraw/zinc/56/69/74/664566974.db2.gz PPRVAAOYPRPWPH-WCBMZHEXSA-N 1 1 321.337 -1.265 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015713988 664567210 /nfs/dbraw/zinc/56/72/10/664567210.db2.gz VJICUHRRXPUAQG-AXFHLTTASA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001015712102 664567275 /nfs/dbraw/zinc/56/72/75/664567275.db2.gz XNIVNVVCOCIAPV-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001015712102 664567277 /nfs/dbraw/zinc/56/72/77/664567277.db2.gz XNIVNVVCOCIAPV-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccnnc1 ZINC001015751508 664567289 /nfs/dbraw/zinc/56/72/89/664567289.db2.gz YOKNIRBGRSUJLO-LLVKDONJSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccnnc1 ZINC001015751508 664567290 /nfs/dbraw/zinc/56/72/90/664567290.db2.gz YOKNIRBGRSUJLO-LLVKDONJSA-N 1 1 318.337 -1.168 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790448 664567811 /nfs/dbraw/zinc/56/78/11/664567811.db2.gz KOIZYERRGITKCU-DTWKUNHWSA-N 1 1 312.326 -2.022 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015790201 664567818 /nfs/dbraw/zinc/56/78/18/664567818.db2.gz ZBMRUSNLAMLNPO-GHMZBOCLSA-N 1 1 320.353 -1.538 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770948 664567934 /nfs/dbraw/zinc/56/79/34/664567934.db2.gz WNWYGZUETLFJNF-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015770948 664567935 /nfs/dbraw/zinc/56/79/35/664567935.db2.gz WNWYGZUETLFJNF-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001015788857 664567937 /nfs/dbraw/zinc/56/79/37/664567937.db2.gz LHLMYWJWLXXQFV-JTQLQIEISA-N 1 1 310.354 -1.730 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788037 664567944 /nfs/dbraw/zinc/56/79/44/664567944.db2.gz AFPMFKCAPWMNQO-DTWKUNHWSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788037 664567945 /nfs/dbraw/zinc/56/79/45/664567945.db2.gz AFPMFKCAPWMNQO-DTWKUNHWSA-N 1 1 323.353 -2.238 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836490 664568231 /nfs/dbraw/zinc/56/82/31/664568231.db2.gz HNKIVKPCQUANEU-NXEZZACHSA-N 1 1 308.338 -1.882 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836490 664568232 /nfs/dbraw/zinc/56/82/32/664568232.db2.gz HNKIVKPCQUANEU-NXEZZACHSA-N 1 1 308.338 -1.882 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015816320 664568418 /nfs/dbraw/zinc/56/84/18/664568418.db2.gz XAXNXGZQIKEGPG-MNOVXSKESA-N 1 1 321.385 -1.125 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015816320 664568419 /nfs/dbraw/zinc/56/84/19/664568419.db2.gz XAXNXGZQIKEGPG-MNOVXSKESA-N 1 1 321.385 -1.125 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001015830695 664568462 /nfs/dbraw/zinc/56/84/62/664568462.db2.gz BEKLNDJVTFGXCP-OPASDULOSA-N 1 1 310.354 -1.453 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001015830696 664568547 /nfs/dbraw/zinc/56/85/47/664568547.db2.gz BEKLNDJVTFGXCP-XIRUVYRFSA-N 1 1 310.354 -1.453 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836491 664568571 /nfs/dbraw/zinc/56/85/71/664568571.db2.gz HNKIVKPCQUANEU-UWVGGRQHSA-N 1 1 308.338 -1.882 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836491 664568573 /nfs/dbraw/zinc/56/85/73/664568573.db2.gz HNKIVKPCQUANEU-UWVGGRQHSA-N 1 1 308.338 -1.882 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001015842741 664568640 /nfs/dbraw/zinc/56/86/40/664568640.db2.gz QRQVWWLCXWFXSO-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001015842741 664568642 /nfs/dbraw/zinc/56/86/42/664568642.db2.gz QRQVWWLCXWFXSO-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864520 664568787 /nfs/dbraw/zinc/56/87/87/664568787.db2.gz AXTZYTYBQVSPID-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864520 664568790 /nfs/dbraw/zinc/56/87/90/664568790.db2.gz AXTZYTYBQVSPID-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842977 664568923 /nfs/dbraw/zinc/56/89/23/664568923.db2.gz URILEZXEJLFTHN-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842977 664568926 /nfs/dbraw/zinc/56/89/26/664568926.db2.gz URILEZXEJLFTHN-WDEREUQCSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001015842743 664569055 /nfs/dbraw/zinc/56/90/55/664569055.db2.gz QRQVWWLCXWFXSO-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001015842743 664569056 /nfs/dbraw/zinc/56/90/56/664569056.db2.gz QRQVWWLCXWFXSO-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncccn1 ZINC001015885171 664569127 /nfs/dbraw/zinc/56/91/27/664569127.db2.gz JEQBJIGVHADTIV-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncccn1 ZINC001015885171 664569131 /nfs/dbraw/zinc/56/91/31/664569131.db2.gz JEQBJIGVHADTIV-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015865282 664569236 /nfs/dbraw/zinc/56/92/36/664569236.db2.gz VDGOUXNPNBCPCS-JTQLQIEISA-N 1 1 321.341 -1.980 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865353 664569248 /nfs/dbraw/zinc/56/92/48/664569248.db2.gz WQLABMHPCPHMSH-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865353 664569252 /nfs/dbraw/zinc/56/92/52/664569252.db2.gz WQLABMHPCPHMSH-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001015868877 664569331 /nfs/dbraw/zinc/56/93/31/664569331.db2.gz FGLRHHVPZRAMMM-ZYHUDNBSSA-N 1 1 319.365 -1.044 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001015868877 664569332 /nfs/dbraw/zinc/56/93/32/664569332.db2.gz FGLRHHVPZRAMMM-ZYHUDNBSSA-N 1 1 319.365 -1.044 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1nnc[nH]1 ZINC001015874043 664569424 /nfs/dbraw/zinc/56/94/24/664569424.db2.gz PWLHMOJUITXPLG-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874043 664569427 /nfs/dbraw/zinc/56/94/27/664569427.db2.gz PWLHMOJUITXPLG-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874043 664569429 /nfs/dbraw/zinc/56/94/29/664569429.db2.gz PWLHMOJUITXPLG-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015866955 664569509 /nfs/dbraw/zinc/56/95/09/664569509.db2.gz WXLVZEFWJGKRTJ-DTWKUNHWSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015866955 664569510 /nfs/dbraw/zinc/56/95/10/664569510.db2.gz WXLVZEFWJGKRTJ-DTWKUNHWSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015905496 664569561 /nfs/dbraw/zinc/56/95/61/664569561.db2.gz OVKYECLGZFZOQM-ZJUUUORDSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015905496 664569562 /nfs/dbraw/zinc/56/95/62/664569562.db2.gz OVKYECLGZFZOQM-ZJUUUORDSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015881246 664569686 /nfs/dbraw/zinc/56/96/86/664569686.db2.gz UTDXSJKYKUAWHT-QMMMGPOBSA-N 1 1 308.298 -1.575 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015881246 664569689 /nfs/dbraw/zinc/56/96/89/664569689.db2.gz UTDXSJKYKUAWHT-QMMMGPOBSA-N 1 1 308.298 -1.575 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951345 664569744 /nfs/dbraw/zinc/56/97/44/664569744.db2.gz LXLFQMHWZLEQGA-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951345 664569746 /nfs/dbraw/zinc/56/97/46/664569746.db2.gz LXLFQMHWZLEQGA-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015957089 664569910 /nfs/dbraw/zinc/56/99/10/664569910.db2.gz NUIPITFBUZZJDZ-LBPRGKRZSA-N 1 1 323.397 -1.046 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910042 664570014 /nfs/dbraw/zinc/57/00/14/664570014.db2.gz KQBPMEJSTPZXAK-NWDGAFQWSA-N 1 1 321.381 -1.076 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910042 664570015 /nfs/dbraw/zinc/57/00/15/664570015.db2.gz KQBPMEJSTPZXAK-NWDGAFQWSA-N 1 1 321.381 -1.076 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015949174 664570020 /nfs/dbraw/zinc/57/00/20/664570020.db2.gz LGFZEKWWCHTDID-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015949174 664570022 /nfs/dbraw/zinc/57/00/22/664570022.db2.gz LGFZEKWWCHTDID-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951262 664570110 /nfs/dbraw/zinc/57/01/10/664570110.db2.gz LXLFQMHWZLEQGA-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951262 664570111 /nfs/dbraw/zinc/57/01/11/664570111.db2.gz LXLFQMHWZLEQGA-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015923742 664570195 /nfs/dbraw/zinc/57/01/95/664570195.db2.gz AZEKZNIUMXHBNK-MWLCHTKSSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015923742 664570198 /nfs/dbraw/zinc/57/01/98/664570198.db2.gz AZEKZNIUMXHBNK-MWLCHTKSSA-N 1 1 321.337 -1.084 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015991225 664570753 /nfs/dbraw/zinc/57/07/53/664570753.db2.gz CCFSFJGPHMAWQX-BDAKNGLRSA-N 1 1 306.326 -1.398 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015996146 664570806 /nfs/dbraw/zinc/57/08/06/664570806.db2.gz DXEKBTYUNBKKNJ-CMPLNLGQSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015996146 664570807 /nfs/dbraw/zinc/57/08/07/664570807.db2.gz DXEKBTYUNBKKNJ-CMPLNLGQSA-N 1 1 319.365 -1.042 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140563 664571184 /nfs/dbraw/zinc/57/11/84/664571184.db2.gz JEKDZKFXACCMPX-WCBMZHEXSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140563 664571186 /nfs/dbraw/zinc/57/11/86/664571186.db2.gz JEKDZKFXACCMPX-WCBMZHEXSA-N 1 1 310.358 -2.045 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198962 664571506 /nfs/dbraw/zinc/57/15/06/664571506.db2.gz DSPQTJHCLSWAJT-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198962 664571507 /nfs/dbraw/zinc/57/15/07/664571507.db2.gz DSPQTJHCLSWAJT-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001016189128 664571539 /nfs/dbraw/zinc/57/15/39/664571539.db2.gz XABSKYJVAQBXHH-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1=O ZINC001016174509 664571553 /nfs/dbraw/zinc/57/15/53/664571553.db2.gz LOLNUUNZLDONEH-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191895 664571559 /nfs/dbraw/zinc/57/15/59/664571559.db2.gz XOWFEKCVVDYVCF-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191895 664571560 /nfs/dbraw/zinc/57/15/60/664571560.db2.gz XOWFEKCVVDYVCF-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016202839 664571997 /nfs/dbraw/zinc/57/19/97/664571997.db2.gz QPECIIJJHRUXHC-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016202839 664572000 /nfs/dbraw/zinc/57/20/00/664572000.db2.gz QPECIIJJHRUXHC-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016200697 664572035 /nfs/dbraw/zinc/57/20/35/664572035.db2.gz YLQVCPLBXMSDEJ-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208788 664572333 /nfs/dbraw/zinc/57/23/33/664572333.db2.gz OPUPYJSTJMGYFE-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208788 664572336 /nfs/dbraw/zinc/57/23/36/664572336.db2.gz OPUPYJSTJMGYFE-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209608 664572351 /nfs/dbraw/zinc/57/23/51/664572351.db2.gz UKXZTZMMINWTES-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209608 664572353 /nfs/dbraw/zinc/57/23/53/664572353.db2.gz UKXZTZMMINWTES-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016214534 664572390 /nfs/dbraw/zinc/57/23/90/664572390.db2.gz VSYBRICBRMHXRC-NSHDSACASA-N 1 1 322.365 -1.442 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016214534 664572392 /nfs/dbraw/zinc/57/23/92/664572392.db2.gz VSYBRICBRMHXRC-NSHDSACASA-N 1 1 322.365 -1.442 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016215294 664572419 /nfs/dbraw/zinc/57/24/19/664572419.db2.gz FHVURNHQLHCOHN-RYUDHWBXSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016215294 664572422 /nfs/dbraw/zinc/57/24/22/664572422.db2.gz FHVURNHQLHCOHN-RYUDHWBXSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016228346 664572519 /nfs/dbraw/zinc/57/25/19/664572519.db2.gz IHLIGJOYELTJAP-UNXYVOJBSA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1[nH]c(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001016257563 664572892 /nfs/dbraw/zinc/57/28/92/664572892.db2.gz XXCSLCKQKCIZPQ-QWRGUYRKSA-N 1 1 308.386 -1.249 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240054 664572907 /nfs/dbraw/zinc/57/29/07/664572907.db2.gz OMHAIICWBLEJOC-VXGBXAGGSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240054 664572908 /nfs/dbraw/zinc/57/29/08/664572908.db2.gz OMHAIICWBLEJOC-VXGBXAGGSA-N 1 1 319.427 -1.712 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(=O)N3CCOCC3)C2)C1 ZINC001016256610 664572932 /nfs/dbraw/zinc/57/29/32/664572932.db2.gz RZFBCUKCPCSYPK-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240049 664573099 /nfs/dbraw/zinc/57/30/99/664573099.db2.gz OMHAIICWBLEJOC-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001016240049 664573103 /nfs/dbraw/zinc/57/31/03/664573103.db2.gz OMHAIICWBLEJOC-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241133 664573165 /nfs/dbraw/zinc/57/31/65/664573165.db2.gz XTCYKEXLAOVAJA-PSASIEDQSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241133 664573167 /nfs/dbraw/zinc/57/31/67/664573167.db2.gz XTCYKEXLAOVAJA-PSASIEDQSA-N 1 1 321.337 -1.822 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016284741 664573277 /nfs/dbraw/zinc/57/32/77/664573277.db2.gz UVFHMIHMPQCHCA-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001016284741 664573281 /nfs/dbraw/zinc/57/32/81/664573281.db2.gz UVFHMIHMPQCHCA-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c[nH]1 ZINC001016273149 664573451 /nfs/dbraw/zinc/57/34/51/664573451.db2.gz QPRGXYUWSYIAOS-ONGXEEELSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c[nH]1 ZINC001016273149 664573453 /nfs/dbraw/zinc/57/34/53/664573453.db2.gz QPRGXYUWSYIAOS-ONGXEEELSA-N 1 1 305.338 -1.194 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354847 664573947 /nfs/dbraw/zinc/57/39/47/664573947.db2.gz QUKXSZQJNDDNJD-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354847 664573950 /nfs/dbraw/zinc/57/39/50/664573950.db2.gz QUKXSZQJNDDNJD-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341092 664573983 /nfs/dbraw/zinc/57/39/83/664573983.db2.gz IEXHPAKXSDRODG-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341841 664574102 /nfs/dbraw/zinc/57/41/02/664574102.db2.gz TZXJGNLWIBCOGL-QWRGUYRKSA-N 1 1 324.385 -1.449 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016396537 664574545 /nfs/dbraw/zinc/57/45/45/664574545.db2.gz DKKGPROUFKTWQH-WDEREUQCSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016396537 664574547 /nfs/dbraw/zinc/57/45/47/664574547.db2.gz DKKGPROUFKTWQH-WDEREUQCSA-N 1 1 305.338 -1.121 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016425897 664574614 /nfs/dbraw/zinc/57/46/14/664574614.db2.gz AYJLOQYMHOSVPS-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016425897 664574617 /nfs/dbraw/zinc/57/46/17/664574617.db2.gz AYJLOQYMHOSVPS-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016396533 664574748 /nfs/dbraw/zinc/57/47/48/664574748.db2.gz DKKGPROUFKTWQH-MNOVXSKESA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016396533 664574749 /nfs/dbraw/zinc/57/47/49/664574749.db2.gz DKKGPROUFKTWQH-MNOVXSKESA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016436976 664574896 /nfs/dbraw/zinc/57/48/96/664574896.db2.gz MSMRAWBBKLROFD-GHMZBOCLSA-N 1 1 320.353 -1.479 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)N1CCOCC1 ZINC001016439876 664575092 /nfs/dbraw/zinc/57/50/92/664575092.db2.gz YRFYYHJHCAPODE-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1CCOCC1 ZINC001016439876 664575094 /nfs/dbraw/zinc/57/50/94/664575094.db2.gz YRFYYHJHCAPODE-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016436980 664575126 /nfs/dbraw/zinc/57/51/26/664575126.db2.gz MSMRAWBBKLROFD-QWRGUYRKSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016433238 664575190 /nfs/dbraw/zinc/57/51/90/664575190.db2.gz ZISAVSGJMVFVNG-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016433238 664575192 /nfs/dbraw/zinc/57/51/92/664575192.db2.gz ZISAVSGJMVFVNG-WDEREUQCSA-N 1 1 322.365 -1.538 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)Cn2ncnn2)C1 ZINC001016525757 664575533 /nfs/dbraw/zinc/57/55/33/664575533.db2.gz CBESQCHWHITFJB-UNXYVOJBSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NC(=O)Cn2cnnn2)C1 ZINC001016529357 664575570 /nfs/dbraw/zinc/57/55/70/664575570.db2.gz UJFYEISQYMSJCP-VOMCLLRMSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001016718793 664577363 /nfs/dbraw/zinc/57/73/63/664577363.db2.gz KKRKDIDIXVMZHU-RTYFJBAXSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001016718793 664577364 /nfs/dbraw/zinc/57/73/64/664577364.db2.gz KKRKDIDIXVMZHU-RTYFJBAXSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016880172 664578429 /nfs/dbraw/zinc/57/84/29/664578429.db2.gz QYHZWTMVBDNFHZ-KPPDAEKUSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001017080068 664580485 /nfs/dbraw/zinc/58/04/85/664580485.db2.gz BRJXGLARBZMNKM-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCNC1=O ZINC001017130969 664580491 /nfs/dbraw/zinc/58/04/91/664580491.db2.gz XHLGUWBTLXQASH-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001017184089 664580537 /nfs/dbraw/zinc/58/05/37/664580537.db2.gz GXRIUVIZUWLZAG-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200522 664580698 /nfs/dbraw/zinc/58/06/98/664580698.db2.gz QVDSYKLTGJAPBC-ZJUUUORDSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200522 664580700 /nfs/dbraw/zinc/58/07/00/664580700.db2.gz QVDSYKLTGJAPBC-ZJUUUORDSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001017571523 664581889 /nfs/dbraw/zinc/58/18/89/664581889.db2.gz PSIQRWMKIXPGQY-MXWKQRLJSA-N 1 1 322.369 -1.567 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001017626684 664582510 /nfs/dbraw/zinc/58/25/10/664582510.db2.gz MWJPCIXEAWPJSQ-MMWGEVLESA-N 1 1 310.354 -1.360 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001017737652 664582838 /nfs/dbraw/zinc/58/28/38/664582838.db2.gz PQHLYLVPEDXJIN-CMPLNLGQSA-N 1 1 308.382 -1.056 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1=CCN(C(=O)C(N)=O)CC1 ZINC001017737656 664582870 /nfs/dbraw/zinc/58/28/70/664582870.db2.gz PQHLYLVPEDXJIN-ZYHUDNBSSA-N 1 1 308.382 -1.056 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001018007800 664584321 /nfs/dbraw/zinc/58/43/21/664584321.db2.gz STYQJBSJHXLQPF-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001018007800 664584324 /nfs/dbraw/zinc/58/43/24/664584324.db2.gz STYQJBSJHXLQPF-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)N(C)C1=O ZINC001018168968 664585004 /nfs/dbraw/zinc/58/50/04/664585004.db2.gz GDUHEFPWTZMZHH-UTUOFQBUSA-N 1 1 324.381 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302273 664585779 /nfs/dbraw/zinc/58/57/79/664585779.db2.gz DBTFILLIPRPXRS-GARJFASQSA-N 1 1 322.369 -1.567 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302273 664585781 /nfs/dbraw/zinc/58/57/81/664585781.db2.gz DBTFILLIPRPXRS-GARJFASQSA-N 1 1 322.369 -1.567 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018479551 664587152 /nfs/dbraw/zinc/58/71/52/664587152.db2.gz ICKPVLOEJCIZJN-JTQLQIEISA-N 1 1 320.361 -1.369 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001018479802 664587291 /nfs/dbraw/zinc/58/72/91/664587291.db2.gz KZQVCZABTQDKHT-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001018624110 664588218 /nfs/dbraw/zinc/58/82/18/664588218.db2.gz HIHHGIBVBWBEFK-LPEHRKFASA-N 1 1 307.358 -1.260 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018687128 664588619 /nfs/dbraw/zinc/58/86/19/664588619.db2.gz UPKNCURYAKFLQY-NSHDSACASA-N 1 1 321.385 -1.047 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001018664095 664588732 /nfs/dbraw/zinc/58/87/32/664588732.db2.gz YIUDLVQUSHUBDA-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nnc(CN[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001018663567 664588820 /nfs/dbraw/zinc/58/88/20/664588820.db2.gz HBMRVFIMYOZALU-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001018663567 664588821 /nfs/dbraw/zinc/58/88/21/664588821.db2.gz HBMRVFIMYOZALU-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001018708028 664588959 /nfs/dbraw/zinc/58/89/59/664588959.db2.gz WCDDCQIMDWCHQC-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018731628 664589416 /nfs/dbraw/zinc/58/94/16/664589416.db2.gz BNJNCMMZAWZQFJ-LBPRGKRZSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001018733185 664589423 /nfs/dbraw/zinc/58/94/23/664589423.db2.gz PATNNHSHPTYBDB-NEPJUHHUSA-N 1 1 323.401 -1.206 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)C2)C1 ZINC001018769645 664589763 /nfs/dbraw/zinc/58/97/63/664589763.db2.gz SLDYFYAUNUPSIT-LBPRGKRZSA-N 1 1 306.370 -1.016 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)C1 ZINC001018769483 664589784 /nfs/dbraw/zinc/58/97/84/664589784.db2.gz OOOVVMLSVGFQGJ-LBPRGKRZSA-N 1 1 306.370 -1.016 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018887356 664591065 /nfs/dbraw/zinc/59/10/65/664591065.db2.gz HXXWOINAHSLILD-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018889662 664591224 /nfs/dbraw/zinc/59/12/24/664591224.db2.gz TZADEPJWAONKEZ-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018889662 664591227 /nfs/dbraw/zinc/59/12/27/664591227.db2.gz TZADEPJWAONKEZ-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001018904882 664591503 /nfs/dbraw/zinc/59/15/03/664591503.db2.gz IHRDFKIWQCWCLO-JTQLQIEISA-N 1 1 313.383 -1.450 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001018934508 664591699 /nfs/dbraw/zinc/59/16/99/664591699.db2.gz QZUMNRLBKQQORW-UWVGGRQHSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001018984343 664592630 /nfs/dbraw/zinc/59/26/30/664592630.db2.gz YYDIAZCAWYCKBJ-WPRPVWTQSA-N 1 1 321.341 -1.896 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018984112 664592793 /nfs/dbraw/zinc/59/27/93/664592793.db2.gz RGJMVWYFXXKNGJ-IUCAKERBSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)nn1 ZINC001018987146 664592925 /nfs/dbraw/zinc/59/29/25/664592925.db2.gz CZJZZMNTQTUZJD-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001019037956 664593302 /nfs/dbraw/zinc/59/33/02/664593302.db2.gz FWUNEMTYLCIASO-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)S(C)(=O)=O ZINC001019047924 664593361 /nfs/dbraw/zinc/59/33/61/664593361.db2.gz OZFIJKBOWDKHQB-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001019034357 664593630 /nfs/dbraw/zinc/59/36/30/664593630.db2.gz AGROAVNKOMYKHX-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001019011757 664593657 /nfs/dbraw/zinc/59/36/57/664593657.db2.gz BVSKGUSCHONDCC-VHSXEESVSA-N 1 1 307.358 -1.431 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019076432 664593841 /nfs/dbraw/zinc/59/38/41/664593841.db2.gz BYAJUHDXLHLBDM-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019076432 664593844 /nfs/dbraw/zinc/59/38/44/664593844.db2.gz BYAJUHDXLHLBDM-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)c1=O ZINC001019063248 664594096 /nfs/dbraw/zinc/59/40/96/664594096.db2.gz IRMBHOOYFRYFQY-VIFPVBQESA-N 1 1 321.345 -2.504 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001019188281 664595908 /nfs/dbraw/zinc/59/59/08/664595908.db2.gz IPJRXQBHZFZMBN-JTQLQIEISA-N 1 1 321.341 -1.254 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC001019240195 664596359 /nfs/dbraw/zinc/59/63/59/664596359.db2.gz BBVGBYJNMSCBDV-VHSXEESVSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001019239517 664596741 /nfs/dbraw/zinc/59/67/41/664596741.db2.gz VHAKFKZTGMIBMQ-VHSXEESVSA-N 1 1 307.358 -1.471 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019258762 664596981 /nfs/dbraw/zinc/59/69/81/664596981.db2.gz QMYFZJSSGLFMFH-VIFPVBQESA-N 1 1 320.361 -1.389 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC001019300621 664597415 /nfs/dbraw/zinc/59/74/15/664597415.db2.gz LCUHAKDZBLOAMQ-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019307680 664597586 /nfs/dbraw/zinc/59/75/86/664597586.db2.gz PXKYWNUTKLFXIJ-UWVGGRQHSA-N 1 1 322.373 -1.374 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300819 664597825 /nfs/dbraw/zinc/59/78/25/664597825.db2.gz UYSUFIURLQVWMS-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C1 ZINC001019313507 664598322 /nfs/dbraw/zinc/59/83/22/664598322.db2.gz YEHLAXVJOVZONR-QMMMGPOBSA-N 1 1 321.362 -1.068 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019356307 664599374 /nfs/dbraw/zinc/59/93/74/664599374.db2.gz KWYUBHLYKUXKDG-QWRGUYRKSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019356306 664599507 /nfs/dbraw/zinc/59/95/07/664599507.db2.gz KWYUBHLYKUXKDG-MNOVXSKESA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)O1 ZINC001019358893 664600026 /nfs/dbraw/zinc/60/00/26/664600026.db2.gz IBYBTKYMASBNQA-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)O1 ZINC001019358893 664600027 /nfs/dbraw/zinc/60/00/27/664600027.db2.gz IBYBTKYMASBNQA-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)[nH]1 ZINC001019377276 664600268 /nfs/dbraw/zinc/60/02/68/664600268.db2.gz UDEBCMQFGPVUGQ-GARJFASQSA-N 1 1 322.369 -1.163 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001019378024 664600517 /nfs/dbraw/zinc/60/05/17/664600517.db2.gz CZFOHWSMVGAVFB-GARJFASQSA-N 1 1 322.369 -1.462 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019442181 664600703 /nfs/dbraw/zinc/60/07/03/664600703.db2.gz GHNFUFKASULOEM-UWVGGRQHSA-N 1 1 318.337 -1.235 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019444182 664600720 /nfs/dbraw/zinc/60/07/20/664600720.db2.gz LVVFQMRKYRCTQW-CBAPKCEASA-N 1 1 324.366 -1.173 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001019393812 664600736 /nfs/dbraw/zinc/60/07/36/664600736.db2.gz UIWQMSHDYXTFDG-QMMMGPOBSA-N 1 1 318.341 -1.359 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019404294 664600932 /nfs/dbraw/zinc/60/09/32/664600932.db2.gz GXBDHAUURWRAPW-QWRGUYRKSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019404294 664600933 /nfs/dbraw/zinc/60/09/33/664600933.db2.gz GXBDHAUURWRAPW-QWRGUYRKSA-N 1 1 320.353 -1.267 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019442650 664601002 /nfs/dbraw/zinc/60/10/02/664601002.db2.gz VKCNAAVSSNINNS-IUCAKERBSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001019507692 664601751 /nfs/dbraw/zinc/60/17/51/664601751.db2.gz JHTUGOHUDRDVEK-JTQLQIEISA-N 1 1 320.353 -1.442 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001019533174 664602358 /nfs/dbraw/zinc/60/23/58/664602358.db2.gz IXHRRXOLFHPUMN-VIFPVBQESA-N 1 1 318.341 -1.069 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019754886 664604435 /nfs/dbraw/zinc/60/44/35/664604435.db2.gz SLJNMQINIWLXMZ-VIFPVBQESA-N 1 1 307.310 -1.091 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019752824 664604444 /nfs/dbraw/zinc/60/44/44/664604444.db2.gz YOIJYJZRMGJABV-QMMMGPOBSA-N 1 1 317.309 -1.037 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001019873403 664605620 /nfs/dbraw/zinc/60/56/20/664605620.db2.gz HWJLXIRPABIJPC-UWVGGRQHSA-N 1 1 322.373 -1.556 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC001019892720 664606047 /nfs/dbraw/zinc/60/60/47/664606047.db2.gz VQVDTDBQGRNNLG-ZJUUUORDSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2N)C1 ZINC001020037280 664607688 /nfs/dbraw/zinc/60/76/88/664607688.db2.gz OFBORQHMEMQUBZ-ZKCHVHJHSA-N 1 1 303.330 -1.367 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001020027977 664607735 /nfs/dbraw/zinc/60/77/35/664607735.db2.gz IWHSOBSSUKGKCB-AATLWQCWSA-N 1 1 307.358 -1.214 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC001020016754 664607851 /nfs/dbraw/zinc/60/78/51/664607851.db2.gz CXTBLLFOBQLLMA-XYPYZODXSA-N 1 1 304.358 -1.077 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001019979129 664607934 /nfs/dbraw/zinc/60/79/34/664607934.db2.gz BONQMWFWZBMREX-MGCOHNPYSA-N 1 1 307.358 -1.431 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001020067976 664608490 /nfs/dbraw/zinc/60/84/90/664608490.db2.gz DZIKEGZOTOYIDU-OPRDCNLKSA-N 1 1 307.358 -1.527 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020103513 664608951 /nfs/dbraw/zinc/60/89/51/664608951.db2.gz UDJIFMIMLREPRE-XYPYZODXSA-N 1 1 307.358 -1.575 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020131712 664609153 /nfs/dbraw/zinc/60/91/53/664609153.db2.gz WFGDJDJBLBCILK-KYZUINATSA-N 1 1 305.346 -1.128 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001020127122 664609218 /nfs/dbraw/zinc/60/92/18/664609218.db2.gz VEYAGQIDYBIBBV-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001020124106 664609343 /nfs/dbraw/zinc/60/93/43/664609343.db2.gz XRDJJTRRWVBJNY-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC001020133594 664609688 /nfs/dbraw/zinc/60/96/88/664609688.db2.gz CYPIRZJLWVHFRD-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)CC(N)=O ZINC001020133594 664609691 /nfs/dbraw/zinc/60/96/91/664609691.db2.gz CYPIRZJLWVHFRD-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020165932 664610099 /nfs/dbraw/zinc/61/00/99/664610099.db2.gz GXBKOCHXFHIPHQ-GWOFURMSSA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001020158066 664610270 /nfs/dbraw/zinc/61/02/70/664610270.db2.gz LRBGUMUVVNBMHZ-IWSPIJDZSA-N 1 1 306.334 -1.805 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001020249940 664610843 /nfs/dbraw/zinc/61/08/43/664610843.db2.gz JEOYJOWPPHLXFM-FXQIFTODSA-N 1 1 322.329 -2.455 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)n1 ZINC001020253256 664610845 /nfs/dbraw/zinc/61/08/45/664610845.db2.gz MYUIXCZCFHSXRP-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001020253028 664610923 /nfs/dbraw/zinc/61/09/23/664610923.db2.gz BBFURCVHOINOFT-KYZUINATSA-N 1 1 318.341 -1.646 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC001020250298 664611081 /nfs/dbraw/zinc/61/10/81/664611081.db2.gz ZZYHCPNMMMEMLR-NRPADANISA-N 1 1 321.341 -1.850 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1ncnn1 ZINC001020281800 664611302 /nfs/dbraw/zinc/61/13/02/664611302.db2.gz FGCXSTKXPIVTBX-TUAOUCFPSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020272603 664611380 /nfs/dbraw/zinc/61/13/80/664611380.db2.gz SKPZDHIZUYSRRC-SRVKXCTJSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001020271998 664611384 /nfs/dbraw/zinc/61/13/84/664611384.db2.gz RLGNXBGAQDPNBN-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020270950 664611402 /nfs/dbraw/zinc/61/14/02/664611402.db2.gz SZOWGFBBVYQAIA-SRVKXCTJSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1cnn[nH]1 ZINC001020341555 664611911 /nfs/dbraw/zinc/61/19/11/664611911.db2.gz YBRYBIFPYSZBIN-KYZUINATSA-N 1 1 306.326 -1.196 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)nn1 ZINC001038221316 664612262 /nfs/dbraw/zinc/61/22/62/664612262.db2.gz SITJBFPYSLNTEF-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)nn1 ZINC001038221316 664612264 /nfs/dbraw/zinc/61/22/64/664612264.db2.gz SITJBFPYSLNTEF-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)nn1 ZINC001038221320 664612438 /nfs/dbraw/zinc/61/24/38/664612438.db2.gz SITJBFPYSLNTEF-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)nn1 ZINC001038221320 664612439 /nfs/dbraw/zinc/61/24/39/664612439.db2.gz SITJBFPYSLNTEF-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001038388219 664612705 /nfs/dbraw/zinc/61/27/05/664612705.db2.gz KGOYTNWATJAIDN-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001038388219 664612706 /nfs/dbraw/zinc/61/27/06/664612706.db2.gz KGOYTNWATJAIDN-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533944 664614019 /nfs/dbraw/zinc/61/40/19/664614019.db2.gz FGXAGFQQQOKEHG-BTJONVMOSA-N 1 1 322.409 -1.214 20 0 DAADMO NC(=O)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533856 664614273 /nfs/dbraw/zinc/61/42/73/664614273.db2.gz CMBUZYXLXZUITJ-XWAURUHHSA-N 1 1 308.382 -1.475 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001038590623 664614696 /nfs/dbraw/zinc/61/46/96/664614696.db2.gz FLWBXTMCAVKTBX-QWRGUYRKSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001038590623 664614700 /nfs/dbraw/zinc/61/47/00/664614700.db2.gz FLWBXTMCAVKTBX-QWRGUYRKSA-N 1 1 309.370 -1.662 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)c[nH]c1=O ZINC001038600525 664614984 /nfs/dbraw/zinc/61/49/84/664614984.db2.gz UQQPQBGPATXFKE-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)c[nH]c1=O ZINC001038600525 664614989 /nfs/dbraw/zinc/61/49/89/664614989.db2.gz UQQPQBGPATXFKE-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H]2CNC(=O)c2nnn(C)n2)cn1 ZINC001038599515 664615071 /nfs/dbraw/zinc/61/50/71/664615071.db2.gz ACXQTPVIVZXMCO-NSHDSACASA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H]2CNC(=O)c2nnn(C)n2)cn1 ZINC001038599515 664615073 /nfs/dbraw/zinc/61/50/73/664615073.db2.gz ACXQTPVIVZXMCO-NSHDSACASA-N 1 1 304.358 -1.010 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038615781 664615118 /nfs/dbraw/zinc/61/51/18/664615118.db2.gz RMWQODGCTHCQDK-MEWQQHAOSA-N 1 1 322.365 -1.379 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038615781 664615120 /nfs/dbraw/zinc/61/51/20/664615120.db2.gz RMWQODGCTHCQDK-MEWQQHAOSA-N 1 1 322.365 -1.379 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1=O ZINC001038653381 664615560 /nfs/dbraw/zinc/61/55/60/664615560.db2.gz WQFBNSRHICHILO-NEPJUHHUSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1=O ZINC001038653381 664615562 /nfs/dbraw/zinc/61/55/62/664615562.db2.gz WQFBNSRHICHILO-NEPJUHHUSA-N 1 1 319.365 -1.243 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038650647 664615740 /nfs/dbraw/zinc/61/57/40/664615740.db2.gz JKDWQLNFZYZZDZ-JTQLQIEISA-N 1 1 320.353 -1.401 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001038650647 664615742 /nfs/dbraw/zinc/61/57/42/664615742.db2.gz JKDWQLNFZYZZDZ-JTQLQIEISA-N 1 1 320.353 -1.401 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038651300 664615810 /nfs/dbraw/zinc/61/58/10/664615810.db2.gz ORQBHRVYTJCSOC-RYUDHWBXSA-N 1 1 306.370 -1.166 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038683112 664616173 /nfs/dbraw/zinc/61/61/73/664616173.db2.gz UVINAIZYSRTTDY-ZETCQYMHSA-N 1 1 303.344 -2.147 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038683112 664616175 /nfs/dbraw/zinc/61/61/75/664616175.db2.gz UVINAIZYSRTTDY-ZETCQYMHSA-N 1 1 303.344 -2.147 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)[nH]c1=O ZINC001038656418 664616209 /nfs/dbraw/zinc/61/62/09/664616209.db2.gz CZRZGFGIVSBQOG-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)[nH]c1=O ZINC001038656418 664616210 /nfs/dbraw/zinc/61/62/10/664616210.db2.gz CZRZGFGIVSBQOG-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)O1 ZINC001038703695 664616394 /nfs/dbraw/zinc/61/63/94/664616394.db2.gz CFMJDGJMZRUKLB-GRYCIOLGSA-N 1 1 322.369 -1.499 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)O1 ZINC001038703695 664616396 /nfs/dbraw/zinc/61/63/96/664616396.db2.gz CFMJDGJMZRUKLB-GRYCIOLGSA-N 1 1 322.369 -1.499 20 0 DAADMO COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001038802655 664616916 /nfs/dbraw/zinc/61/69/16/664616916.db2.gz VHIIZWDSFUHELZ-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001038802655 664616919 /nfs/dbraw/zinc/61/69/19/664616919.db2.gz VHIIZWDSFUHELZ-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)S1(=O)=O ZINC001038799609 664616978 /nfs/dbraw/zinc/61/69/78/664616978.db2.gz DQJSCWJHXDHYDB-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)S1(=O)=O ZINC001038799609 664616979 /nfs/dbraw/zinc/61/69/79/664616979.db2.gz DQJSCWJHXDHYDB-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038760020 664617120 /nfs/dbraw/zinc/61/71/20/664617120.db2.gz KSGSVUVKVVJOLH-MNOVXSKESA-N 1 1 324.381 -1.077 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)S1(=O)=O ZINC001038799615 664617148 /nfs/dbraw/zinc/61/71/48/664617148.db2.gz DQJSCWJHXDHYDB-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)S1(=O)=O ZINC001038799615 664617151 /nfs/dbraw/zinc/61/71/51/664617151.db2.gz DQJSCWJHXDHYDB-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001038802657 664617206 /nfs/dbraw/zinc/61/72/06/664617206.db2.gz VHIIZWDSFUHELZ-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001038802657 664617209 /nfs/dbraw/zinc/61/72/09/664617209.db2.gz VHIIZWDSFUHELZ-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001039131374 664619007 /nfs/dbraw/zinc/61/90/07/664619007.db2.gz KUPQKILTNRUDDP-LBPRGKRZSA-N 1 1 321.385 -1.281 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001039202204 664619144 /nfs/dbraw/zinc/61/91/44/664619144.db2.gz IWUFJQPDDCMOCF-NEPJUHHUSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329992 664619169 /nfs/dbraw/zinc/61/91/69/664619169.db2.gz ONGJJSDNHUVFAN-MXWKQRLJSA-N 1 1 307.358 -1.388 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329992 664619170 /nfs/dbraw/zinc/61/91/70/664619170.db2.gz ONGJJSDNHUVFAN-MXWKQRLJSA-N 1 1 307.358 -1.388 20 0 DAADMO NC(=O)C(=O)N1CCC([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001039158200 664619244 /nfs/dbraw/zinc/61/92/44/664619244.db2.gz NXHJVEOEFSOKPV-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1 ZINC001039363605 664619426 /nfs/dbraw/zinc/61/94/26/664619426.db2.gz QTONPIBZVYPBGC-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1 ZINC001039363605 664619427 /nfs/dbraw/zinc/61/94/27/664619427.db2.gz QTONPIBZVYPBGC-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039365993 664619448 /nfs/dbraw/zinc/61/94/48/664619448.db2.gz JXTIYPNKKRNVSZ-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039365993 664619449 /nfs/dbraw/zinc/61/94/49/664619449.db2.gz JXTIYPNKKRNVSZ-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039375677 664619475 /nfs/dbraw/zinc/61/94/75/664619475.db2.gz REEXBHQMSPDEBU-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039375677 664619478 /nfs/dbraw/zinc/61/94/78/664619478.db2.gz REEXBHQMSPDEBU-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075632729 677689720 /nfs/dbraw/zinc/68/97/20/677689720.db2.gz JOFURXFWPBSTQN-IVZWLZJFSA-N 1 1 308.338 -1.800 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001075631818 677689770 /nfs/dbraw/zinc/68/97/70/677689770.db2.gz TXPQQBZLWPZIKE-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330262 677690547 /nfs/dbraw/zinc/69/05/47/677690547.db2.gz NXHODBUIQVHDSF-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330262 677690548 /nfs/dbraw/zinc/69/05/48/677690548.db2.gz NXHODBUIQVHDSF-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)CC[N@H+]1C ZINC001083472888 677724377 /nfs/dbraw/zinc/72/43/77/677724377.db2.gz VXHDZJXQQFUTOS-KKOKHZNYSA-N 1 1 323.401 -1.788 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083491119 677725986 /nfs/dbraw/zinc/72/59/86/677725986.db2.gz OCMMZNSRUOETOY-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)cn1 ZINC001077063296 677781065 /nfs/dbraw/zinc/78/10/65/677781065.db2.gz GPKIJIMTSYYVOA-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000913179577 677822594 /nfs/dbraw/zinc/82/25/94/677822594.db2.gz JIKXLTLBKBEVIR-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1ncc2c1C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC000913182201 677822604 /nfs/dbraw/zinc/82/26/04/677822604.db2.gz VOALXTXLDMERAV-ABAIWWIYSA-N 1 1 308.382 -1.008 20 0 DAADMO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083670627 677822690 /nfs/dbraw/zinc/82/26/90/677822690.db2.gz HMPXPAGPNFDNMR-MCIONIFRSA-N 1 1 315.414 -1.359 20 0 DAADMO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083670627 677822693 /nfs/dbraw/zinc/82/26/93/677822693.db2.gz HMPXPAGPNFDNMR-MCIONIFRSA-N 1 1 315.414 -1.359 20 0 DAADMO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001077251902 677793677 /nfs/dbraw/zinc/79/36/77/677793677.db2.gz UMXYIMZSLYASRC-RKDXNWHRSA-N 1 1 303.340 -1.278 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001077251902 677793687 /nfs/dbraw/zinc/79/36/87/677793687.db2.gz UMXYIMZSLYASRC-RKDXNWHRSA-N 1 1 303.340 -1.278 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001083569777 677793863 /nfs/dbraw/zinc/79/38/63/677793863.db2.gz MADQURVRWZZSTJ-NEPJUHHUSA-N 1 1 308.338 -2.123 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077255926 677793897 /nfs/dbraw/zinc/79/38/97/677793897.db2.gz UIXZYFCVSSWMHS-IRUJWGPZSA-N 1 1 312.370 -1.278 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@]1(CO)COCCN1)[C@@H]1CCSC1 ZINC000913183359 677823181 /nfs/dbraw/zinc/82/31/81/677823181.db2.gz PKJPKZHRQZFMCQ-DGCLKSJQSA-N 1 1 303.428 -1.109 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077316307 677800234 /nfs/dbraw/zinc/80/02/34/677800234.db2.gz HDOWZUGHZRNIHT-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077316307 677800238 /nfs/dbraw/zinc/80/02/38/677800238.db2.gz HDOWZUGHZRNIHT-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001077336626 677800789 /nfs/dbraw/zinc/80/07/89/677800789.db2.gz FLCJLFVIBKQXAW-QJPTWQEYSA-N 1 1 314.386 -1.415 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573213 677800817 /nfs/dbraw/zinc/80/08/17/677800817.db2.gz BMNIXLPKQAVYDO-UTUOFQBUSA-N 1 1 323.401 -1.644 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083573654 677800912 /nfs/dbraw/zinc/80/09/12/677800912.db2.gz QJUUWBNHOZTPMQ-MCIONIFRSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083612653 677812225 /nfs/dbraw/zinc/81/22/25/677812225.db2.gz FXHZESOBAUZPJQ-BBBLOLIVSA-N 1 1 312.326 -2.509 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649537 677816525 /nfs/dbraw/zinc/81/65/25/677816525.db2.gz DNKFNVZGYSVNEM-NEPJUHHUSA-N 1 1 320.353 -1.215 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649537 677816528 /nfs/dbraw/zinc/81/65/28/677816528.db2.gz DNKFNVZGYSVNEM-NEPJUHHUSA-N 1 1 320.353 -1.215 20 0 DAADMO O=C(N[C@@H]1CN(CCF)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654863 677818556 /nfs/dbraw/zinc/81/85/56/677818556.db2.gz JPZBAGVGOAJUFQ-NRYGQCTKSA-N 1 1 313.373 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001083793407 677884409 /nfs/dbraw/zinc/88/44/09/677884409.db2.gz PYDMOZISEJSKDL-TUAOUCFPSA-N 1 1 324.385 -1.831 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077820850 677885093 /nfs/dbraw/zinc/88/50/93/677885093.db2.gz NMGSGJNEVXULJE-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001061696158 677961172 /nfs/dbraw/zinc/96/11/72/677961172.db2.gz PRWPQCRBJNCQLG-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH+](CC(N)=O)CC1 ZINC001079164156 678018087 /nfs/dbraw/zinc/01/80/87/678018087.db2.gz VHKWKAKNMLTOSM-QWHCGFSZSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001080036345 678030463 /nfs/dbraw/zinc/03/04/63/678030463.db2.gz ROOYLWFIIQJXGJ-RKDXNWHRSA-N 1 1 317.367 -1.031 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061212 678030548 /nfs/dbraw/zinc/03/05/48/678030548.db2.gz JOGNCEUZIKHIIS-KXUCPTDWSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061212 678030549 /nfs/dbraw/zinc/03/05/49/678030549.db2.gz JOGNCEUZIKHIIS-KXUCPTDWSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035590 678030638 /nfs/dbraw/zinc/03/06/38/678030638.db2.gz ULIBPXNEEDAOHS-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035590 678030641 /nfs/dbraw/zinc/03/06/41/678030641.db2.gz ULIBPXNEEDAOHS-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(C)=O ZINC001081239885 678060277 /nfs/dbraw/zinc/06/02/77/678060277.db2.gz DXHRAAOKUYGRLG-QJPTWQEYSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1NC(C)=O ZINC001081239885 678060280 /nfs/dbraw/zinc/06/02/80/678060280.db2.gz DXHRAAOKUYGRLG-QJPTWQEYSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334194 678066048 /nfs/dbraw/zinc/06/60/48/678066048.db2.gz IMGNFOMDHVZZRN-CHWSQXEVSA-N 1 1 324.385 -1.085 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081370682 678071252 /nfs/dbraw/zinc/07/12/52/678071252.db2.gz DRYOBMFBPHUTMA-MNOVXSKESA-N 1 1 314.386 -1.863 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081370681 678071298 /nfs/dbraw/zinc/07/12/98/678071298.db2.gz DRYOBMFBPHUTMA-GHMZBOCLSA-N 1 1 314.386 -1.863 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001081481365 678078648 /nfs/dbraw/zinc/07/86/48/678078648.db2.gz FQIGHUVTYMIOAR-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481303 678078762 /nfs/dbraw/zinc/07/87/62/678078762.db2.gz DCDIRMUPFAWUFE-GMTAPVOTSA-N 1 1 300.359 -2.382 20 0 DAADMO CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481303 678078764 /nfs/dbraw/zinc/07/87/64/678078764.db2.gz DCDIRMUPFAWUFE-GMTAPVOTSA-N 1 1 300.359 -2.382 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081498967 678080566 /nfs/dbraw/zinc/08/05/66/678080566.db2.gz HCRHFESOPKNZLQ-GHMZBOCLSA-N 1 1 322.369 -1.550 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001081555296 678083541 /nfs/dbraw/zinc/08/35/41/678083541.db2.gz SPXIIADMXSJQGG-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589208 678086284 /nfs/dbraw/zinc/08/62/84/678086284.db2.gz BSTRUKLISGLKTP-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589208 678086285 /nfs/dbraw/zinc/08/62/85/678086285.db2.gz BSTRUKLISGLKTP-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589208 678086286 /nfs/dbraw/zinc/08/62/86/678086286.db2.gz BSTRUKLISGLKTP-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374864 678116467 /nfs/dbraw/zinc/11/64/67/678116467.db2.gz SYXFDLHYEYFLIQ-QJPTWQEYSA-N 1 1 317.411 -1.097 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001082567272 678118343 /nfs/dbraw/zinc/11/83/43/678118343.db2.gz UDAMLMVXISAYKM-FKTZTGRPSA-N 1 1 322.325 -1.396 20 0 DAADMO C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082659601 678118457 /nfs/dbraw/zinc/11/84/57/678118457.db2.gz SYOKGLCOGABFIA-RULNRJAQSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082611057 678118545 /nfs/dbraw/zinc/11/85/45/678118545.db2.gz OYYDTOWEMXRZMM-OUAUKWLOSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065318068 678127473 /nfs/dbraw/zinc/12/74/73/678127473.db2.gz NCQBUXWAFGSJKL-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552695 678132264 /nfs/dbraw/zinc/13/22/64/678132264.db2.gz MDOOBENXBGTVJT-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001065575055 678133871 /nfs/dbraw/zinc/13/38/71/678133871.db2.gz SGAAFFFMIZZBPF-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001066773679 678142068 /nfs/dbraw/zinc/14/20/68/678142068.db2.gz LLUIFGROFHVIQL-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740891 678162829 /nfs/dbraw/zinc/16/28/29/678162829.db2.gz OFPDHSIGGRXJNB-UHFFFAOYSA-N 1 1 317.357 -1.464 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740891 678162833 /nfs/dbraw/zinc/16/28/33/678162833.db2.gz OFPDHSIGGRXJNB-UHFFFAOYSA-N 1 1 317.357 -1.464 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740956 678162864 /nfs/dbraw/zinc/16/28/64/678162864.db2.gz RBDKGFQVHVYEJA-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1)NC1CC1 ZINC001072740722 678162875 /nfs/dbraw/zinc/16/28/75/678162875.db2.gz GZQYYURNOSRPTK-UHFFFAOYSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1)NC1CC1 ZINC001072740722 678162879 /nfs/dbraw/zinc/16/28/79/678162879.db2.gz GZQYYURNOSRPTK-UHFFFAOYSA-N 1 1 319.369 -1.514 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072736099 678162895 /nfs/dbraw/zinc/16/28/95/678162895.db2.gz BIKIBXAYIXZOMW-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 ZINC001072736083 678162987 /nfs/dbraw/zinc/16/29/87/678162987.db2.gz BEWVXRGSVQJUAQ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)n1 ZINC001072752426 678163027 /nfs/dbraw/zinc/16/30/27/678163027.db2.gz JUEBCEQJRIMZDU-UHFFFAOYSA-N 1 1 322.369 -1.706 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072741087 678163063 /nfs/dbraw/zinc/16/30/63/678163063.db2.gz WYLAXXLPXPTLKC-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072741025 678163092 /nfs/dbraw/zinc/16/30/92/678163092.db2.gz TVXCULFBFIXSRM-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072741916 678163134 /nfs/dbraw/zinc/16/31/34/678163134.db2.gz KLSAFEWLLMHCJH-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 ZINC001072736084 678163145 /nfs/dbraw/zinc/16/31/45/678163145.db2.gz BEWVXRGSVQJUAQ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)CC[N@H+]1C ZINC001058497486 677680833 /nfs/dbraw/zinc/68/08/33/677680833.db2.gz XNUSGXCLCOIXOP-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058511998 677681089 /nfs/dbraw/zinc/68/10/89/677681089.db2.gz RUVGKYDEVDRPNF-UHFFFAOYSA-N 1 1 313.358 -1.038 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058510599 677681095 /nfs/dbraw/zinc/68/10/95/677681095.db2.gz ZVHIEQUYAMBBBF-LLVKDONJSA-N 1 1 311.342 -1.286 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058515460 677681139 /nfs/dbraw/zinc/68/11/39/677681139.db2.gz DXDDEXGHEGVPKG-UHFFFAOYSA-N 1 1 322.325 -1.175 20 0 DAADMO C[C@@H](NC(=O)c1ncn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969615374 677681276 /nfs/dbraw/zinc/68/12/76/677681276.db2.gz BBSBZTNZQNAJHN-PSASIEDQSA-N 1 1 320.353 -1.330 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000969603912 677681287 /nfs/dbraw/zinc/68/12/87/677681287.db2.gz JBHKKUOMZTUMEJ-ZJUUUORDSA-N 1 1 307.358 -1.479 20 0 DAADMO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969597416 677681309 /nfs/dbraw/zinc/68/13/09/677681309.db2.gz ZNXYMXYWPHEKHV-GZMMTYOYSA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nncn1C ZINC000969625163 677681377 /nfs/dbraw/zinc/68/13/77/677681377.db2.gz JOWQHHOJPANCSX-DTWKUNHWSA-N 1 1 305.346 -1.096 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000969624562 677681407 /nfs/dbraw/zinc/68/14/07/677681407.db2.gz DFGJNTMBUAUXNE-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ncccn2)C1 ZINC001058524701 677681460 /nfs/dbraw/zinc/68/14/60/677681460.db2.gz VTGXRSZTAPIQMT-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)C1 ZINC001083192499 677681487 /nfs/dbraw/zinc/68/14/87/677681487.db2.gz DMMYHXKEMQXMLO-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083194134 677681511 /nfs/dbraw/zinc/68/15/11/677681511.db2.gz XXMVSHDRHPUWTJ-MROQNXINSA-N 1 1 311.382 -1.385 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083194134 677681512 /nfs/dbraw/zinc/68/15/12/677681512.db2.gz XXMVSHDRHPUWTJ-MROQNXINSA-N 1 1 311.382 -1.385 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075634205 677682087 /nfs/dbraw/zinc/68/20/87/677682087.db2.gz CKNAVSYVAVIENI-RWMBFGLXSA-N 1 1 321.381 -1.348 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083208758 677682134 /nfs/dbraw/zinc/68/21/34/677682134.db2.gz ASYBSNNRJPIUCU-SDDRHHMPSA-N 1 1 322.365 -1.094 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001075418420 677682345 /nfs/dbraw/zinc/68/23/45/677682345.db2.gz KEMQNLCNUUMRRW-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001075418420 677682346 /nfs/dbraw/zinc/68/23/46/677682346.db2.gz KEMQNLCNUUMRRW-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001075418419 677682373 /nfs/dbraw/zinc/68/23/73/677682373.db2.gz KEMQNLCNUUMRRW-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001075418419 677682374 /nfs/dbraw/zinc/68/23/74/677682374.db2.gz KEMQNLCNUUMRRW-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971541250 677682637 /nfs/dbraw/zinc/68/26/37/677682637.db2.gz GZOGCFCXBGGBLI-WDEREUQCSA-N 1 1 307.358 -1.564 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971543991 677682645 /nfs/dbraw/zinc/68/26/45/677682645.db2.gz VKBLBHQZANGOON-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC4(C3)NC(=O)NC4=O)[C@H]2C1 ZINC001083221340 677682729 /nfs/dbraw/zinc/68/27/29/677682729.db2.gz XCYZYHYIAJSCSG-FMCALUSXSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(CCN1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083224734 677682788 /nfs/dbraw/zinc/68/27/88/677682788.db2.gz OLFFDPKFIQODTP-UONOGXRCSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(CCN1CCOCC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083224734 677682789 /nfs/dbraw/zinc/68/27/89/677682789.db2.gz OLFFDPKFIQODTP-UONOGXRCSA-N 1 1 313.398 -1.387 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)CN3CC(=O)NC3=O)[C@H]2C1 ZINC001083225477 677682807 /nfs/dbraw/zinc/68/28/07/677682807.db2.gz YBMBNWHHCFVNMD-WDEREUQCSA-N 1 1 310.354 -1.142 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4ncn[n-]4)[C@H]3C2)C1=O ZINC001083227330 677682854 /nfs/dbraw/zinc/68/28/54/677682854.db2.gz YMKUQWSWBCKRSW-OUAUKWLOSA-N 1 1 320.353 -1.439 20 0 DAADMO O=C(c1ncn[n-]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083227165 677682892 /nfs/dbraw/zinc/68/28/92/677682892.db2.gz PNQNBMOIHQZKGE-KXUCPTDWSA-N 1 1 306.326 -1.782 20 0 DAADMO O=C(c1ncccn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083230084 677682939 /nfs/dbraw/zinc/68/29/39/677682939.db2.gz GVRZADWNMQFOJF-SDDRHHMPSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ncccn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083230084 677682940 /nfs/dbraw/zinc/68/29/40/677682940.db2.gz GVRZADWNMQFOJF-SDDRHHMPSA-N 1 1 317.349 -1.110 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247998 677683331 /nfs/dbraw/zinc/68/33/31/677683331.db2.gz NDWMJIBTNUAURF-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083247547 677683394 /nfs/dbraw/zinc/68/33/94/677683394.db2.gz VFANWMKOODEIRZ-DDTOSNHZSA-N 1 1 321.381 -1.187 20 0 DAADMO O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083247547 677683395 /nfs/dbraw/zinc/68/33/95/677683395.db2.gz VFANWMKOODEIRZ-DDTOSNHZSA-N 1 1 321.381 -1.187 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001042098064 677683590 /nfs/dbraw/zinc/68/35/90/677683590.db2.gz MSHBSFJUJXDPJC-LLVKDONJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)c1=O ZINC001042123718 677683638 /nfs/dbraw/zinc/68/36/38/677683638.db2.gz UJYFTJHYAYOCKS-RYUDHWBXSA-N 1 1 309.370 -1.503 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)CC1=O ZINC001039699356 677683744 /nfs/dbraw/zinc/68/37/44/677683744.db2.gz OSQIDKJAACVSHL-OKILXGFUSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)CC1=O ZINC001039699356 677683745 /nfs/dbraw/zinc/68/37/45/677683745.db2.gz OSQIDKJAACVSHL-OKILXGFUSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267133 677683881 /nfs/dbraw/zinc/68/38/81/677683881.db2.gz LFCDJDAJEQSTAN-KGYLQXTDSA-N 1 1 322.365 -1.314 20 0 DAADMO Cn1nc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)ccc1=O ZINC001083267240 677683885 /nfs/dbraw/zinc/68/38/85/677683885.db2.gz QNPCBBOKSGNODT-QWHCGFSZSA-N 1 1 322.365 -1.312 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083268673 677684049 /nfs/dbraw/zinc/68/40/49/677684049.db2.gz OMANABOHEVANQA-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO NC(=O)c1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1 ZINC001083278296 677684566 /nfs/dbraw/zinc/68/45/66/677684566.db2.gz RIAPGLKGPVPXCF-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO NC(=O)c1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1 ZINC001083278296 677684567 /nfs/dbraw/zinc/68/45/67/677684567.db2.gz RIAPGLKGPVPXCF-QWHCGFSZSA-N 1 1 320.349 -1.302 20 0 DAADMO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058610977 677684570 /nfs/dbraw/zinc/68/45/70/677684570.db2.gz VMSUKRJUPGZSKI-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058610977 677684571 /nfs/dbraw/zinc/68/45/71/677684571.db2.gz VMSUKRJUPGZSKI-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278104 677684597 /nfs/dbraw/zinc/68/45/97/677684597.db2.gz IGDRAANPZQOJFY-GARJFASQSA-N 1 1 303.384 -1.390 20 0 DAADMO O=C([C@H]1CCc2nncn2C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083282543 677685212 /nfs/dbraw/zinc/68/52/12/677685212.db2.gz IJZUMTWBEVVSKS-RWMBFGLXSA-N 1 1 321.381 -1.256 20 0 DAADMO O=C([C@H]1CCc2nncn2C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083282543 677685213 /nfs/dbraw/zinc/68/52/13/677685213.db2.gz IJZUMTWBEVVSKS-RWMBFGLXSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058645140 677685741 /nfs/dbraw/zinc/68/57/41/677685741.db2.gz XIRUVHASZBCNOX-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)O1 ZINC001058646499 677685920 /nfs/dbraw/zinc/68/59/20/677685920.db2.gz MMYVBIGNNLKDCB-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)O1 ZINC001058646499 677685921 /nfs/dbraw/zinc/68/59/21/677685921.db2.gz MMYVBIGNNLKDCB-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058646729 677686030 /nfs/dbraw/zinc/68/60/30/677686030.db2.gz WDSQHKZMGHKOAZ-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058648000 677686069 /nfs/dbraw/zinc/68/60/69/677686069.db2.gz LDWPFHCDVALXOH-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)CNC(N)=O ZINC001075547366 677686874 /nfs/dbraw/zinc/68/68/74/677686874.db2.gz YTBBKZRYULFQQR-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001083297747 677687146 /nfs/dbraw/zinc/68/71/46/677687146.db2.gz YANMMFQEFRVDNA-AXFHLTTASA-N 1 1 313.354 -1.932 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@@H]1O ZINC001083297747 677687147 /nfs/dbraw/zinc/68/71/47/677687147.db2.gz YANMMFQEFRVDNA-AXFHLTTASA-N 1 1 313.354 -1.932 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001083297777 677687176 /nfs/dbraw/zinc/68/71/76/677687176.db2.gz ZPQUYIWUTXQJSJ-TUAOUCFPSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001075553552 677687264 /nfs/dbraw/zinc/68/72/64/677687264.db2.gz PBNRMLOWLWRZPA-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001075553552 677687265 /nfs/dbraw/zinc/68/72/65/677687265.db2.gz PBNRMLOWLWRZPA-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001058816085 677687998 /nfs/dbraw/zinc/68/79/98/677687998.db2.gz ILARMQPZDVDPPY-UHFFFAOYSA-N 1 1 317.390 -2.066 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001058846834 677688283 /nfs/dbraw/zinc/68/82/83/677688283.db2.gz GRZNRBUDFRHZLT-VXGBXAGGSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058845751 677688290 /nfs/dbraw/zinc/68/82/90/677688290.db2.gz VVHRFOAWUIEXAG-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058845751 677688291 /nfs/dbraw/zinc/68/82/91/677688291.db2.gz VVHRFOAWUIEXAG-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058845751 677688292 /nfs/dbraw/zinc/68/82/92/677688292.db2.gz VVHRFOAWUIEXAG-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058847469 677688344 /nfs/dbraw/zinc/68/83/44/677688344.db2.gz SGULUZBGLKVTMZ-QWRGUYRKSA-N 1 1 314.386 -2.003 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058848427 677688368 /nfs/dbraw/zinc/68/83/68/677688368.db2.gz FOZHNQDYOFFUIL-UWVGGRQHSA-N 1 1 300.359 -2.394 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058847470 677688379 /nfs/dbraw/zinc/68/83/79/677688379.db2.gz SGULUZBGLKVTMZ-WDEREUQCSA-N 1 1 314.386 -2.003 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058849105 677688413 /nfs/dbraw/zinc/68/84/13/677688413.db2.gz OJQIQPQFYVCEHZ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849105 677688414 /nfs/dbraw/zinc/68/84/14/677688414.db2.gz OJQIQPQFYVCEHZ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058849105 677688415 /nfs/dbraw/zinc/68/84/15/677688415.db2.gz OJQIQPQFYVCEHZ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849105 677688416 /nfs/dbraw/zinc/68/84/16/677688416.db2.gz OJQIQPQFYVCEHZ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058849105 677688417 /nfs/dbraw/zinc/68/84/17/677688417.db2.gz OJQIQPQFYVCEHZ-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2nnc[nH]2)C1 ZINC001058890832 677688943 /nfs/dbraw/zinc/68/89/43/677688943.db2.gz LTXMBWNXGNFDQG-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2ncn[nH]2)C1 ZINC001058890832 677688944 /nfs/dbraw/zinc/68/89/44/677688944.db2.gz LTXMBWNXGNFDQG-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2ncn[nH]2)C1 ZINC001058890832 677688945 /nfs/dbraw/zinc/68/89/45/677688945.db2.gz LTXMBWNXGNFDQG-NSHDSACASA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2nnc[nH]2)C1 ZINC001058890831 677689053 /nfs/dbraw/zinc/68/90/53/677689053.db2.gz LTXMBWNXGNFDQG-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2ncn[nH]2)C1 ZINC001058890831 677689054 /nfs/dbraw/zinc/68/90/54/677689054.db2.gz LTXMBWNXGNFDQG-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2ncn[nH]2)C1 ZINC001058890831 677689055 /nfs/dbraw/zinc/68/90/55/677689055.db2.gz LTXMBWNXGNFDQG-LLVKDONJSA-N 1 1 324.385 -1.764 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CCCO1 ZINC001083325154 677689570 /nfs/dbraw/zinc/68/95/70/677689570.db2.gz WPDZGRNJIIFTFA-WOPDTQHZSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CCCO1 ZINC001083325154 677689571 /nfs/dbraw/zinc/68/95/71/677689571.db2.gz WPDZGRNJIIFTFA-WOPDTQHZSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCCO1 ZINC001083324748 677689603 /nfs/dbraw/zinc/68/96/03/677689603.db2.gz KJHCSAZUWDSITP-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCCO1 ZINC001083324748 677689604 /nfs/dbraw/zinc/68/96/04/677689604.db2.gz KJHCSAZUWDSITP-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001083325130 677689642 /nfs/dbraw/zinc/68/96/42/677689642.db2.gz VQCJNLVIWYYYQK-JLLWLGSASA-N 1 1 308.338 -1.006 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075632730 677689945 /nfs/dbraw/zinc/68/99/45/677689945.db2.gz JOFURXFWPBSTQN-LPEHRKFASA-N 1 1 308.338 -1.800 20 0 DAADMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1)C1CCC1 ZINC001083329435 677689966 /nfs/dbraw/zinc/68/99/66/677689966.db2.gz IPJSAXONYGHREZ-FRRDWIJNSA-N 1 1 324.385 -1.351 20 0 DAADMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083329352 677690001 /nfs/dbraw/zinc/69/00/01/677690001.db2.gz FLSJEHWOJZBHLF-TUAOUCFPSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083329263 677690094 /nfs/dbraw/zinc/69/00/94/677690094.db2.gz BHISDVBDXRIXJY-SFYZADRCSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083329263 677690095 /nfs/dbraw/zinc/69/00/95/677690095.db2.gz BHISDVBDXRIXJY-SFYZADRCSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083329557 677690106 /nfs/dbraw/zinc/69/01/06/677690106.db2.gz MXUKRQGCQDEALA-ZJUUUORDSA-N 1 1 307.318 -2.874 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083329557 677690107 /nfs/dbraw/zinc/69/01/07/677690107.db2.gz MXUKRQGCQDEALA-ZJUUUORDSA-N 1 1 307.318 -2.874 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083329760 677690166 /nfs/dbraw/zinc/69/01/66/677690166.db2.gz UKEFWQSEDDGQOD-UTUOFQBUSA-N 1 1 310.358 -1.739 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519321 677690216 /nfs/dbraw/zinc/69/02/16/677690216.db2.gz NCQHQQSHIOSNSG-UWVGGRQHSA-N 1 1 319.383 -1.423 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519321 677690217 /nfs/dbraw/zinc/69/02/17/677690217.db2.gz NCQHQQSHIOSNSG-UWVGGRQHSA-N 1 1 319.383 -1.423 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083329752 677690222 /nfs/dbraw/zinc/69/02/22/677690222.db2.gz UGAWYKYXBVWQKF-ZJUUUORDSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083329752 677690223 /nfs/dbraw/zinc/69/02/23/677690223.db2.gz UGAWYKYXBVWQKF-ZJUUUORDSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083329801 677690275 /nfs/dbraw/zinc/69/02/75/677690275.db2.gz VLUNQPYAIMAFKR-ZJUUUORDSA-N 1 1 316.312 -1.120 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519323 677690291 /nfs/dbraw/zinc/69/02/91/677690291.db2.gz NCQHQQSHIOSNSG-ZJUUUORDSA-N 1 1 319.383 -1.423 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028519323 677690292 /nfs/dbraw/zinc/69/02/92/677690292.db2.gz NCQHQQSHIOSNSG-ZJUUUORDSA-N 1 1 319.383 -1.423 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001028519878 677690399 /nfs/dbraw/zinc/69/03/99/677690399.db2.gz VMDHIENEBZJOFF-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083331675 677690716 /nfs/dbraw/zinc/69/07/16/677690716.db2.gz TVTYGRGDRYPJDW-XQQFMLRXSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083340722 677690752 /nfs/dbraw/zinc/69/07/52/677690752.db2.gz RBISSRFRDRZTOM-OLZOCXBDSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083340722 677690753 /nfs/dbraw/zinc/69/07/53/677690753.db2.gz RBISSRFRDRZTOM-OLZOCXBDSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083340310 677690845 /nfs/dbraw/zinc/69/08/45/677690845.db2.gz AECRZYLAEWQIBT-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083340310 677690846 /nfs/dbraw/zinc/69/08/46/677690846.db2.gz AECRZYLAEWQIBT-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083348707 677690918 /nfs/dbraw/zinc/69/09/18/677690918.db2.gz WJUYUAGFJHPMFA-AGIUHOORSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083348707 677690919 /nfs/dbraw/zinc/69/09/19/677690919.db2.gz WJUYUAGFJHPMFA-AGIUHOORSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083351081 677691226 /nfs/dbraw/zinc/69/12/26/677691226.db2.gz PQKFWQYIEPBYDF-MNOVXSKESA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083351081 677691227 /nfs/dbraw/zinc/69/12/27/677691227.db2.gz PQKFWQYIEPBYDF-MNOVXSKESA-N 1 1 321.337 -1.666 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083354724 677691398 /nfs/dbraw/zinc/69/13/98/677691398.db2.gz MCNXEQKYJRKZBP-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083354724 677691399 /nfs/dbraw/zinc/69/13/99/677691399.db2.gz MCNXEQKYJRKZBP-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n(C)n1 ZINC001083359081 677691516 /nfs/dbraw/zinc/69/15/16/677691516.db2.gz OJEJJYQILNPLIE-YPMHNXCESA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n(C)n1 ZINC001083359081 677691517 /nfs/dbraw/zinc/69/15/17/677691517.db2.gz OJEJJYQILNPLIE-YPMHNXCESA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083363566 677691610 /nfs/dbraw/zinc/69/16/10/677691610.db2.gz YJNJYFZUSCYEQZ-UPJWGTAASA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083363566 677691611 /nfs/dbraw/zinc/69/16/11/677691611.db2.gz YJNJYFZUSCYEQZ-UPJWGTAASA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368834 677691926 /nfs/dbraw/zinc/69/19/26/677691926.db2.gz YIZKSLQJWQCMMM-UPJWGTAASA-N 1 1 308.386 -1.429 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083368621 677691994 /nfs/dbraw/zinc/69/19/94/677691994.db2.gz RRBXAXYWARYQHX-AGIUHOORSA-N 1 1 310.398 -1.526 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083368306 677692001 /nfs/dbraw/zinc/69/20/01/677692001.db2.gz JHDSJZXSHYSDEY-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083368306 677692002 /nfs/dbraw/zinc/69/20/02/677692002.db2.gz JHDSJZXSHYSDEY-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083368591 677692026 /nfs/dbraw/zinc/69/20/26/677692026.db2.gz QWHKRKWMSGJGCA-AGIUHOORSA-N 1 1 308.386 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083372037 677692107 /nfs/dbraw/zinc/69/21/07/677692107.db2.gz XXUIKAPGGBJDOK-MXWKQRLJSA-N 1 1 308.342 -2.282 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083372037 677692108 /nfs/dbraw/zinc/69/21/08/677692108.db2.gz XXUIKAPGGBJDOK-MXWKQRLJSA-N 1 1 308.342 -2.282 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1=O ZINC001083378328 677692495 /nfs/dbraw/zinc/69/24/95/677692495.db2.gz LKCWNYMRHMTEFC-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1=O ZINC001083378328 677692496 /nfs/dbraw/zinc/69/24/96/677692496.db2.gz LKCWNYMRHMTEFC-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083380837 677692677 /nfs/dbraw/zinc/69/26/77/677692677.db2.gz KCZWJFSXFSJNKM-NEPJUHHUSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083380837 677692678 /nfs/dbraw/zinc/69/26/78/677692678.db2.gz KCZWJFSXFSJNKM-NEPJUHHUSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083380547 677692730 /nfs/dbraw/zinc/69/27/30/677692730.db2.gz AJGSMCHDCPSHJN-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083380547 677692732 /nfs/dbraw/zinc/69/27/32/677692732.db2.gz AJGSMCHDCPSHJN-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1=O ZINC001083382310 677692842 /nfs/dbraw/zinc/69/28/42/677692842.db2.gz ZTRZECOTILRFDR-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1=O ZINC001083382310 677692844 /nfs/dbraw/zinc/69/28/44/677692844.db2.gz ZTRZECOTILRFDR-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO Cc1ncc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385031 677692994 /nfs/dbraw/zinc/69/29/94/677692994.db2.gz BWXUNGPNBVQBRN-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1ncc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385031 677692996 /nfs/dbraw/zinc/69/29/96/677692996.db2.gz BWXUNGPNBVQBRN-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cnc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385109 677693051 /nfs/dbraw/zinc/69/30/51/677693051.db2.gz DPQMQJORPQXALU-AGIUHOORSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cnc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385109 677693052 /nfs/dbraw/zinc/69/30/52/677693052.db2.gz DPQMQJORPQXALU-AGIUHOORSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)on1 ZINC001083385484 677693057 /nfs/dbraw/zinc/69/30/57/677693057.db2.gz PCKNYYFIOIPPCN-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)on1 ZINC001083385484 677693058 /nfs/dbraw/zinc/69/30/58/677693058.db2.gz PCKNYYFIOIPPCN-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1ncc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385030 677693093 /nfs/dbraw/zinc/69/30/93/677693093.db2.gz BWXUNGPNBVQBRN-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1ncc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)o1 ZINC001083385030 677693094 /nfs/dbraw/zinc/69/30/94/677693094.db2.gz BWXUNGPNBVQBRN-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001083391877 677693232 /nfs/dbraw/zinc/69/32/32/677693232.db2.gz PMHGMKMVGIXXPZ-WCQGTBRESA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001083391877 677693233 /nfs/dbraw/zinc/69/32/33/677693233.db2.gz PMHGMKMVGIXXPZ-WCQGTBRESA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(C=C1CCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083399171 677693464 /nfs/dbraw/zinc/69/34/64/677693464.db2.gz PFVZTTMSYJKOGZ-NEPJUHHUSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(C=C1CCC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083399171 677693466 /nfs/dbraw/zinc/69/34/66/677693466.db2.gz PFVZTTMSYJKOGZ-NEPJUHHUSA-N 1 1 322.365 -1.190 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001028733080 677693754 /nfs/dbraw/zinc/69/37/54/677693754.db2.gz CRHRPXXXXVGCHE-QMMMGPOBSA-N 1 1 309.326 -1.977 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734942 677693956 /nfs/dbraw/zinc/69/39/56/677693956.db2.gz DTXZRCIKKZUXJL-GHMZBOCLSA-N 1 1 317.411 -1.395 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734942 677693958 /nfs/dbraw/zinc/69/39/58/677693958.db2.gz DTXZRCIKKZUXJL-GHMZBOCLSA-N 1 1 317.411 -1.395 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075698331 677693971 /nfs/dbraw/zinc/69/39/71/677693971.db2.gz WGBVFICQQNBCCD-QWHCGFSZSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075698331 677693972 /nfs/dbraw/zinc/69/39/72/677693972.db2.gz WGBVFICQQNBCCD-QWHCGFSZSA-N 1 1 310.398 -1.403 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735252 677694024 /nfs/dbraw/zinc/69/40/24/677694024.db2.gz JDUHGNPNGMKXSM-ZYHUDNBSSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735252 677694026 /nfs/dbraw/zinc/69/40/26/677694026.db2.gz JDUHGNPNGMKXSM-ZYHUDNBSSA-N 1 1 306.370 -1.111 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075708507 677694271 /nfs/dbraw/zinc/69/42/71/677694271.db2.gz FVCKHYHUNHCXFQ-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075708507 677694273 /nfs/dbraw/zinc/69/42/73/677694273.db2.gz FVCKHYHUNHCXFQ-FRRDWIJNSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710851 677694291 /nfs/dbraw/zinc/69/42/91/677694291.db2.gz OTMBEUCLVZXUCN-GARJFASQSA-N 1 1 322.369 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075709044 677694342 /nfs/dbraw/zinc/69/43/42/677694342.db2.gz ZQUATRBODCXXEE-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075735515 677694391 /nfs/dbraw/zinc/69/43/91/677694391.db2.gz VSLQXIMFRFLAQF-VHSXEESVSA-N 1 1 308.338 -1.129 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075735515 677694393 /nfs/dbraw/zinc/69/43/93/677694393.db2.gz VSLQXIMFRFLAQF-VHSXEESVSA-N 1 1 308.338 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001075734032 677694519 /nfs/dbraw/zinc/69/45/19/677694519.db2.gz JALBKALJHRMKEN-IACUBPJLSA-N 1 1 320.393 -1.114 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075751691 677694674 /nfs/dbraw/zinc/69/46/74/677694674.db2.gz RWLLVWWOAFQJIM-JBLDHEPKSA-N 1 1 304.354 -1.150 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075753073 677694703 /nfs/dbraw/zinc/69/47/03/677694703.db2.gz ZPBWKIKDTYABLR-HBNTYKKESA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075753073 677694704 /nfs/dbraw/zinc/69/47/04/677694704.db2.gz ZPBWKIKDTYABLR-HBNTYKKESA-N 1 1 310.354 -1.284 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001075752436 677694806 /nfs/dbraw/zinc/69/48/06/677694806.db2.gz AMUXZDFIXSSWHU-ZMLRMANQSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001075752436 677694808 /nfs/dbraw/zinc/69/48/08/677694808.db2.gz AMUXZDFIXSSWHU-ZMLRMANQSA-N 1 1 322.365 -1.094 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC001075758607 677694913 /nfs/dbraw/zinc/69/49/13/677694913.db2.gz FSEIJZQOBMQFNL-ZMLRMANQSA-N 1 1 304.354 -1.150 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)c1 ZINC001083405775 677695337 /nfs/dbraw/zinc/69/53/37/677695337.db2.gz ZTRGFNHIQWLNCQ-OLZOCXBDSA-N 1 1 321.381 -1.175 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)c1 ZINC001083405775 677695338 /nfs/dbraw/zinc/69/53/38/677695338.db2.gz ZTRGFNHIQWLNCQ-OLZOCXBDSA-N 1 1 321.381 -1.175 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083407535 677695511 /nfs/dbraw/zinc/69/55/11/677695511.db2.gz UUNGQBSNOGMPEC-XQQFMLRXSA-N 1 1 322.365 -1.002 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083406446 677695682 /nfs/dbraw/zinc/69/56/82/677695682.db2.gz HFZRYHBBBUCHPT-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083406446 677695683 /nfs/dbraw/zinc/69/56/83/677695683.db2.gz HFZRYHBBBUCHPT-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO CC1(C)C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083413192 677696012 /nfs/dbraw/zinc/69/60/12/677696012.db2.gz CPYGVPINHXGSIE-AXFHLTTASA-N 1 1 324.381 -1.254 20 0 DAADMO CC1(C)C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083413192 677696014 /nfs/dbraw/zinc/69/60/14/677696014.db2.gz CPYGVPINHXGSIE-AXFHLTTASA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075798736 677696453 /nfs/dbraw/zinc/69/64/53/677696453.db2.gz MFYGWNMYDPCYTD-NWDGAFQWSA-N 1 1 317.357 -1.503 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083415289 677696466 /nfs/dbraw/zinc/69/64/66/677696466.db2.gz COIWBDFBSARPQH-KGLIPLIRSA-N 1 1 323.397 -1.623 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796769 677696473 /nfs/dbraw/zinc/69/64/73/677696473.db2.gz BZMXMRPONGJOAE-WDEREUQCSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796769 677696474 /nfs/dbraw/zinc/69/64/74/677696474.db2.gz BZMXMRPONGJOAE-WDEREUQCSA-N 1 1 307.358 -1.706 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001075798836 677696600 /nfs/dbraw/zinc/69/66/00/677696600.db2.gz QCUJALRKMIMKPS-SDDRHHMPSA-N 1 1 319.369 -1.564 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415863 677696711 /nfs/dbraw/zinc/69/67/11/677696711.db2.gz YNEXBZBGDUWPRA-XQQFMLRXSA-N 1 1 301.387 -1.485 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001075811736 677697263 /nfs/dbraw/zinc/69/72/63/677697263.db2.gz CCWBWGNLYSLPBH-WDEREUQCSA-N 1 1 322.369 -1.444 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001075811690 677697309 /nfs/dbraw/zinc/69/73/09/677697309.db2.gz ABWKJGLPTPDEIY-DTWKUNHWSA-N 1 1 321.341 -2.605 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001075811690 677697311 /nfs/dbraw/zinc/69/73/11/677697311.db2.gz ABWKJGLPTPDEIY-DTWKUNHWSA-N 1 1 321.341 -2.605 20 0 DAADMO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418957 677699051 /nfs/dbraw/zinc/69/90/51/677699051.db2.gz JBMTYHUIJIWEPT-BBBLOLIVSA-N 1 1 301.322 -1.107 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075834825 677700324 /nfs/dbraw/zinc/70/03/24/677700324.db2.gz SGBWCTWXIQKDOJ-NWDGAFQWSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075834825 677700326 /nfs/dbraw/zinc/70/03/26/677700326.db2.gz SGBWCTWXIQKDOJ-NWDGAFQWSA-N 1 1 306.370 -1.101 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075836572 677700601 /nfs/dbraw/zinc/70/06/01/677700601.db2.gz UQASYGVFOXTEDL-QJPTWQEYSA-N 1 1 304.354 -1.301 20 0 DAADMO CC(C)(C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)N1CCOCC1 ZINC000897277932 677701625 /nfs/dbraw/zinc/70/16/25/677701625.db2.gz NXZFJWFRKTXRRC-GFCCVEGCSA-N 1 1 318.443 -1.069 20 0 DAADMO CC(C)(CN1CCN2[C@H](CNS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000897277932 677701632 /nfs/dbraw/zinc/70/16/32/677701632.db2.gz NXZFJWFRKTXRRC-GFCCVEGCSA-N 1 1 318.443 -1.069 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029588365 677701716 /nfs/dbraw/zinc/70/17/16/677701716.db2.gz UBFKTTIRGWNOIS-TUAOUCFPSA-N 1 1 317.411 -1.264 20 0 DAADMO CN(C)c1[nH+]cc(CN2CCN3[C@@H](CNS3(=O)=O)C2)n1C ZINC000897277075 677701725 /nfs/dbraw/zinc/70/17/25/677701725.db2.gz DNAICOWMACXUSG-NSHDSACASA-N 1 1 314.415 -1.180 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)nn1 ZINC001029597850 677701760 /nfs/dbraw/zinc/70/17/60/677701760.db2.gz MDNGOPRCXQECFS-AOOOYVTPSA-N 1 1 308.342 -1.956 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)nn1 ZINC001029597850 677701762 /nfs/dbraw/zinc/70/17/62/677701762.db2.gz MDNGOPRCXQECFS-AOOOYVTPSA-N 1 1 308.342 -1.956 20 0 DAADMO CN(C)c1[nH+]cc(CN2CCN3[C@H](CNS3(=O)=O)C2)n1C ZINC000897277074 677701829 /nfs/dbraw/zinc/70/18/29/677701829.db2.gz DNAICOWMACXUSG-LLVKDONJSA-N 1 1 314.415 -1.180 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001029591511 677701837 /nfs/dbraw/zinc/70/18/37/677701837.db2.gz AJVVBGHQWFZAKL-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001029591511 677701842 /nfs/dbraw/zinc/70/18/42/677701842.db2.gz AJVVBGHQWFZAKL-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001075853286 677702585 /nfs/dbraw/zinc/70/25/85/677702585.db2.gz FOTKWDKWHMPLGI-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001075853286 677702590 /nfs/dbraw/zinc/70/25/90/677702590.db2.gz FOTKWDKWHMPLGI-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO CCN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075854171 677702933 /nfs/dbraw/zinc/70/29/33/677702933.db2.gz SUIAQMBSLBTFJK-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CCN1C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075854171 677702934 /nfs/dbraw/zinc/70/29/34/677702934.db2.gz SUIAQMBSLBTFJK-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cc1=O ZINC001083426450 677704635 /nfs/dbraw/zinc/70/46/35/677704635.db2.gz KRZYREWIKJFGMG-ZJUUUORDSA-N 1 1 322.325 -1.955 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cc1=O ZINC001083426450 677704638 /nfs/dbraw/zinc/70/46/38/677704638.db2.gz KRZYREWIKJFGMG-ZJUUUORDSA-N 1 1 322.325 -1.955 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083427298 677705373 /nfs/dbraw/zinc/70/53/73/677705373.db2.gz XSKLGRVCIWBOIN-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083427298 677705377 /nfs/dbraw/zinc/70/53/77/677705377.db2.gz XSKLGRVCIWBOIN-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)Cn2ncnn2)CC1)[C@H]1CCNC1=O ZINC001029966055 677705602 /nfs/dbraw/zinc/70/56/02/677705602.db2.gz RPTLIHOLXOFICD-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001038105216 677705633 /nfs/dbraw/zinc/70/56/33/677705633.db2.gz QJXQVTVWLLBYFI-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCC(=O)N1 ZINC001038105216 677705636 /nfs/dbraw/zinc/70/56/36/677705636.db2.gz QJXQVTVWLLBYFI-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987192596 677706432 /nfs/dbraw/zinc/70/64/32/677706432.db2.gz UVVLWSZVPDGSDJ-PSASIEDQSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cc1nnc[nH]1 ZINC000987317484 677706697 /nfs/dbraw/zinc/70/66/97/677706697.db2.gz HKBCSIXVBXEYIM-BDAKNGLRSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cc1nnc[nH]1 ZINC000987317485 677707147 /nfs/dbraw/zinc/70/71/47/677707147.db2.gz HKBCSIXVBXEYIM-DTWKUNHWSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987329366 677707154 /nfs/dbraw/zinc/70/71/54/677707154.db2.gz NAVCYTRAHLCCFT-GHMZBOCLSA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888464 677707217 /nfs/dbraw/zinc/70/72/17/677707217.db2.gz KDKIRJNWGNFGLL-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888464 677707220 /nfs/dbraw/zinc/70/72/20/677707220.db2.gz KDKIRJNWGNFGLL-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000987329367 677707510 /nfs/dbraw/zinc/70/75/10/677707510.db2.gz NAVCYTRAHLCCFT-MNOVXSKESA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1ncnn1 ZINC000988084592 677708859 /nfs/dbraw/zinc/70/88/59/677708859.db2.gz FGCXSTKXPIVTBX-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cncn1 ZINC000988140459 677708967 /nfs/dbraw/zinc/70/89/67/677708967.db2.gz DOUWMSFSMFNZGM-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075896314 677709066 /nfs/dbraw/zinc/70/90/66/677709066.db2.gz MHIYVZULWKAARX-LPEHRKFASA-N 1 1 323.353 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001075896314 677709070 /nfs/dbraw/zinc/70/90/70/677709070.db2.gz MHIYVZULWKAARX-LPEHRKFASA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901326 677710211 /nfs/dbraw/zinc/71/02/11/677710211.db2.gz ZMQYIMJBSPJJPG-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901326 677710212 /nfs/dbraw/zinc/71/02/12/677710212.db2.gz ZMQYIMJBSPJJPG-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3C[C@@H](O)CN3C2=O)CC1 ZINC000925275904 677710223 /nfs/dbraw/zinc/71/02/23/677710223.db2.gz KIWNXAMHGCJPGP-GHMZBOCLSA-N 1 1 310.354 -1.452 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901327 677710466 /nfs/dbraw/zinc/71/04/66/677710466.db2.gz ZMQYIMJBSPJJPG-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001075901327 677710468 /nfs/dbraw/zinc/71/04/68/677710468.db2.gz ZMQYIMJBSPJJPG-JFGNBEQYSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040205049 677711426 /nfs/dbraw/zinc/71/14/26/677711426.db2.gz NFQDPASTFNGNTF-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083432747 677711723 /nfs/dbraw/zinc/71/17/23/677711723.db2.gz BVQILMSLXDHYHD-UPJWGTAASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083432747 677711726 /nfs/dbraw/zinc/71/17/26/677711726.db2.gz BVQILMSLXDHYHD-UPJWGTAASA-N 1 1 321.381 -1.598 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040205048 677711752 /nfs/dbraw/zinc/71/17/52/677711752.db2.gz NFQDPASTFNGNTF-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)CC(N)=O ZINC000988431412 677712304 /nfs/dbraw/zinc/71/23/04/677712304.db2.gz KNNSAETZAVHWEN-ZJUUUORDSA-N 1 1 322.369 -1.237 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083436491 677712926 /nfs/dbraw/zinc/71/29/26/677712926.db2.gz WUCWLGLWXKWNDU-NEPJUHHUSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083436491 677712930 /nfs/dbraw/zinc/71/29/30/677712930.db2.gz WUCWLGLWXKWNDU-NEPJUHHUSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439848 677713714 /nfs/dbraw/zinc/71/37/14/677713714.db2.gz QRKRVGDSLKGFIB-UTUOFQBUSA-N 1 1 313.354 -1.175 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083439692 677714010 /nfs/dbraw/zinc/71/40/10/677714010.db2.gz LOJRMXHJJKXZEF-UTUOFQBUSA-N 1 1 323.353 -1.768 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439723 677714389 /nfs/dbraw/zinc/71/43/89/677714389.db2.gz MOFHJGUPBFZUGD-UTLUCORTSA-N 1 1 310.314 -2.452 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439723 677714394 /nfs/dbraw/zinc/71/43/94/677714394.db2.gz MOFHJGUPBFZUGD-UTLUCORTSA-N 1 1 310.314 -2.452 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083445327 677715273 /nfs/dbraw/zinc/71/52/73/677715273.db2.gz WJFULNPKNRGUAR-ZJUUUORDSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083445327 677715274 /nfs/dbraw/zinc/71/52/74/677715274.db2.gz WJFULNPKNRGUAR-ZJUUUORDSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)nn1 ZINC001083443357 677715444 /nfs/dbraw/zinc/71/54/44/677715444.db2.gz GSPCVMWMFWSYHX-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)nn1 ZINC001083443357 677715447 /nfs/dbraw/zinc/71/54/47/677715447.db2.gz GSPCVMWMFWSYHX-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083446399 677715821 /nfs/dbraw/zinc/71/58/21/677715821.db2.gz WDZOCXFANXCBBA-ZJUUUORDSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083446399 677715825 /nfs/dbraw/zinc/71/58/25/677715825.db2.gz WDZOCXFANXCBBA-ZJUUUORDSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CC1(F)F ZINC001083448246 677716415 /nfs/dbraw/zinc/71/64/15/677716415.db2.gz DNWRSMMIXGQMID-BBBLOLIVSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@H]1CC1(F)F ZINC001083448246 677716418 /nfs/dbraw/zinc/71/64/18/677716418.db2.gz DNWRSMMIXGQMID-BBBLOLIVSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1ncc[nH]1 ZINC001083450375 677716472 /nfs/dbraw/zinc/71/64/72/677716472.db2.gz QBCHAQKWCNLGCW-AXFHLTTASA-N 1 1 317.353 -1.036 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083451547 677716917 /nfs/dbraw/zinc/71/69/17/677716917.db2.gz TXBGRYNJSRDMQE-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083451547 677716921 /nfs/dbraw/zinc/71/69/21/677716921.db2.gz TXBGRYNJSRDMQE-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cn(C)nn1 ZINC000988778294 677717411 /nfs/dbraw/zinc/71/74/11/677717411.db2.gz PLGQYDSZTKNEGA-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083453294 677718016 /nfs/dbraw/zinc/71/80/16/677718016.db2.gz YZBJBSOICRRTCC-TUAOUCFPSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)n[nH]1 ZINC001083453294 677718017 /nfs/dbraw/zinc/71/80/17/677718017.db2.gz YZBJBSOICRRTCC-TUAOUCFPSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)n[nH]1 ZINC001083453294 677718019 /nfs/dbraw/zinc/71/80/19/677718019.db2.gz YZBJBSOICRRTCC-TUAOUCFPSA-N 1 1 309.370 -1.147 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455608 677718303 /nfs/dbraw/zinc/71/83/03/677718303.db2.gz KLSGBKAAIQTBAL-AGIUHOORSA-N 1 1 312.414 -1.234 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](O)C1 ZINC001083459279 677718429 /nfs/dbraw/zinc/71/84/29/677718429.db2.gz DFJCZIAKJZWDFH-WCQGTBRESA-N 1 1 307.354 -1.056 20 0 DAADMO O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083461498 677719107 /nfs/dbraw/zinc/71/91/07/677719107.db2.gz CSCRYYMRVJRFGR-KGLIPLIRSA-N 1 1 308.382 -1.015 20 0 DAADMO O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083461498 677719111 /nfs/dbraw/zinc/71/91/11/677719111.db2.gz CSCRYYMRVJRFGR-KGLIPLIRSA-N 1 1 308.382 -1.015 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462295 677719131 /nfs/dbraw/zinc/71/91/31/677719131.db2.gz DFHPJHJAPWTCLA-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462295 677719136 /nfs/dbraw/zinc/71/91/36/677719136.db2.gz DFHPJHJAPWTCLA-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462287 677719231 /nfs/dbraw/zinc/71/92/31/677719231.db2.gz CTNYFMCGRNSBHU-ZJUUUORDSA-N 1 1 323.382 -1.200 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083462287 677719233 /nfs/dbraw/zinc/71/92/33/677719233.db2.gz CTNYFMCGRNSBHU-ZJUUUORDSA-N 1 1 323.382 -1.200 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083463885 677720492 /nfs/dbraw/zinc/72/04/92/677720492.db2.gz FPOIXWZTWMACHF-TUAOUCFPSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001083463806 677720614 /nfs/dbraw/zinc/72/06/14/677720614.db2.gz BGQYTLJEHRFPIL-UPJWGTAASA-N 1 1 324.385 -1.349 20 0 DAADMO CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1)C1CCC1 ZINC001083464248 677720809 /nfs/dbraw/zinc/72/08/09/677720809.db2.gz WZEJWEVYDFNXMO-FRRDWIJNSA-N 1 1 324.385 -1.351 20 0 DAADMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1 ZINC001083463962 677720879 /nfs/dbraw/zinc/72/08/79/677720879.db2.gz JEZTXSIKQAAIDA-TUAOUCFPSA-N 1 1 324.385 -1.351 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990187774 677721534 /nfs/dbraw/zinc/72/15/34/677721534.db2.gz KOZFSVWRARLUNA-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990197163 677721950 /nfs/dbraw/zinc/72/19/50/677721950.db2.gz SXYMGQBBZVJIGG-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000990187973 677722205 /nfs/dbraw/zinc/72/22/05/677722205.db2.gz BUUDNMCIMHGVFH-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075968708 677723084 /nfs/dbraw/zinc/72/30/84/677723084.db2.gz JJGGOLJMFMAPOC-GRYCIOLGSA-N 1 1 309.370 -1.505 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075982759 677723650 /nfs/dbraw/zinc/72/36/50/677723650.db2.gz BYJJAHCHYXZPCM-INTQDDNPSA-N 1 1 318.337 -1.244 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)CC[N@H+]1C ZINC001083472493 677723957 /nfs/dbraw/zinc/72/39/57/677723957.db2.gz AOYLLHKNZNGLFY-LPWJVIDDSA-N 1 1 322.413 -1.183 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)n1 ZINC001083473845 677724773 /nfs/dbraw/zinc/72/47/73/677724773.db2.gz YYOSBWWAUJJLJP-MNOVXSKESA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476847 677724782 /nfs/dbraw/zinc/72/47/82/677724782.db2.gz MGIZBNDFOXLFKT-ZWUHOBOKSA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476847 677724783 /nfs/dbraw/zinc/72/47/83/677724783.db2.gz MGIZBNDFOXLFKT-ZWUHOBOKSA-N 1 1 323.393 -1.193 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083477318 677724845 /nfs/dbraw/zinc/72/48/45/677724845.db2.gz KIXSONXNDYMBDO-ZJUUUORDSA-N 1 1 312.374 -1.151 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083477318 677724847 /nfs/dbraw/zinc/72/48/47/677724847.db2.gz KIXSONXNDYMBDO-ZJUUUORDSA-N 1 1 312.374 -1.151 20 0 DAADMO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083483797 677725265 /nfs/dbraw/zinc/72/52/65/677725265.db2.gz IWTWDVZCBGLLBA-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001075993091 677725402 /nfs/dbraw/zinc/72/54/02/677725402.db2.gz YJDFHWKZDGEKLG-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083492887 677726704 /nfs/dbraw/zinc/72/67/04/677726704.db2.gz XQPJYJDRAZGGGP-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc(Br)n[nH]1 ZINC001083499308 677727317 /nfs/dbraw/zinc/72/73/17/677727317.db2.gz QXIXTCDOTIGZDV-SFYZADRCSA-N 1 1 319.159 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(Br)n[nH]1 ZINC001083499308 677727320 /nfs/dbraw/zinc/72/73/20/677727320.db2.gz QXIXTCDOTIGZDV-SFYZADRCSA-N 1 1 319.159 -1.061 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083505109 677728391 /nfs/dbraw/zinc/72/83/91/677728391.db2.gz AHRLSBUIFNQXLI-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506549 677728526 /nfs/dbraw/zinc/72/85/26/677728526.db2.gz NJNLIMVGCNKNIR-MNOVXSKESA-N 1 1 305.400 -1.408 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083506442 677728746 /nfs/dbraw/zinc/72/87/46/677728746.db2.gz IIBMUHVDOQFSEU-ZJUUUORDSA-N 1 1 307.372 -2.825 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506564 677728839 /nfs/dbraw/zinc/72/88/39/677728839.db2.gz OLBYZJUZVQOVEQ-AXFHLTTASA-N 1 1 321.399 -2.436 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076002856 677729031 /nfs/dbraw/zinc/72/90/31/677729031.db2.gz FSBPAQKXFZXVKY-VHSXEESVSA-N 1 1 321.337 -2.033 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076002856 677729033 /nfs/dbraw/zinc/72/90/33/677729033.db2.gz FSBPAQKXFZXVKY-VHSXEESVSA-N 1 1 321.337 -2.033 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076002116 677729246 /nfs/dbraw/zinc/72/92/46/677729246.db2.gz RUDYWKWHJHVLIX-NWDGAFQWSA-N 1 1 322.365 -1.136 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)nn2c1OCCC2 ZINC001083508738 677729308 /nfs/dbraw/zinc/72/93/08/677729308.db2.gz XZJXTBKBYUQLLJ-MNOVXSKESA-N 1 1 310.354 -1.259 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn2c1OCCC2 ZINC001083508738 677729313 /nfs/dbraw/zinc/72/93/13/677729313.db2.gz XZJXTBKBYUQLLJ-MNOVXSKESA-N 1 1 310.354 -1.259 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001083510086 677729352 /nfs/dbraw/zinc/72/93/52/677729352.db2.gz NDHPJIBJRAORCH-AXTRIDKLSA-N 1 1 310.354 -1.051 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083510086 677729354 /nfs/dbraw/zinc/72/93/54/677729354.db2.gz NDHPJIBJRAORCH-AXTRIDKLSA-N 1 1 310.354 -1.051 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001083508147 677729398 /nfs/dbraw/zinc/72/93/98/677729398.db2.gz RYYCPHIMNITUSK-ONOSFVFSSA-N 1 1 306.326 -1.491 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCc2ncncc2C1 ZINC001083517138 677729762 /nfs/dbraw/zinc/72/97/62/677729762.db2.gz MQBOZUATVVVMLH-GDLCADMTSA-N 1 1 306.366 -1.265 20 0 DAADMO Cn1cnc2[nH]c(=O)cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC001083517287 677729842 /nfs/dbraw/zinc/72/98/42/677729842.db2.gz SLTXQRZRZKTEFF-ZJUUUORDSA-N 1 1 321.337 -1.559 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522424 677730811 /nfs/dbraw/zinc/73/08/11/677730811.db2.gz GQCJFAISWUFNNH-WOPDTQHZSA-N 1 1 321.381 -1.332 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001083528803 677730834 /nfs/dbraw/zinc/73/08/34/677730834.db2.gz JNDGKMHKALKCLE-MNOVXSKESA-N 1 1 306.326 -1.226 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001083528803 677730837 /nfs/dbraw/zinc/73/08/37/677730837.db2.gz JNDGKMHKALKCLE-MNOVXSKESA-N 1 1 306.326 -1.226 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC001083529041 677731198 /nfs/dbraw/zinc/73/11/98/677731198.db2.gz XDBUMZHISXARIM-MNOVXSKESA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083529714 677731239 /nfs/dbraw/zinc/73/12/39/677731239.db2.gz CMZVQPFHHYNQIP-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001083534479 677731652 /nfs/dbraw/zinc/73/16/52/677731652.db2.gz XEIRBXSMXQWJCS-TUAOUCFPSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn2ncccc12 ZINC001083529821 677731668 /nfs/dbraw/zinc/73/16/68/677731668.db2.gz IUXFOONOBSJHER-YPMHNXCESA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083534375 677731778 /nfs/dbraw/zinc/73/17/78/677731778.db2.gz QOOIPDJKCQBMRM-YIZRAAEISA-N 1 1 302.306 -1.895 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1)OC ZINC001083537881 677732098 /nfs/dbraw/zinc/73/20/98/677732098.db2.gz VBNMMHSJUDSHGX-RTXFEEFZSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076009995 677732216 /nfs/dbraw/zinc/73/22/16/677732216.db2.gz GTPSXCYUQRKIJC-QJPTWQEYSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076009995 677732220 /nfs/dbraw/zinc/73/22/20/677732220.db2.gz GTPSXCYUQRKIJC-QJPTWQEYSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC001083541119 677732781 /nfs/dbraw/zinc/73/27/81/677732781.db2.gz QOAOPRXVZSCPLX-PWSUYJOCSA-N 1 1 310.354 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCCN1c1ncccn1 ZINC001083539469 677732799 /nfs/dbraw/zinc/73/27/99/677732799.db2.gz ZPLNWMVCHOLIDC-UPJWGTAASA-N 1 1 321.381 -1.401 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCCN1c1ncccn1 ZINC001083539469 677732803 /nfs/dbraw/zinc/73/28/03/677732803.db2.gz ZPLNWMVCHOLIDC-UPJWGTAASA-N 1 1 321.381 -1.401 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541212 677732826 /nfs/dbraw/zinc/73/28/26/677732826.db2.gz USTZGOUFTHYGGB-PWSUYJOCSA-N 1 1 310.354 -1.165 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541212 677732830 /nfs/dbraw/zinc/73/28/30/677732830.db2.gz USTZGOUFTHYGGB-PWSUYJOCSA-N 1 1 310.354 -1.165 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001076028863 677732996 /nfs/dbraw/zinc/73/29/96/677732996.db2.gz QCZLENNKXWTNDO-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001076028863 677732998 /nfs/dbraw/zinc/73/29/98/677732998.db2.gz QCZLENNKXWTNDO-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001076027421 677733018 /nfs/dbraw/zinc/73/30/18/677733018.db2.gz OSKJLPGDLSOKTM-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001076027421 677733022 /nfs/dbraw/zinc/73/30/22/677733022.db2.gz OSKJLPGDLSOKTM-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087012 677733422 /nfs/dbraw/zinc/73/34/22/677733422.db2.gz CQRHJGILUBGGDI-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087012 677733424 /nfs/dbraw/zinc/73/34/24/677733424.db2.gz CQRHJGILUBGGDI-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076062114 677733461 /nfs/dbraw/zinc/73/34/61/677733461.db2.gz FJRWSUQNZPIVMK-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076062114 677733462 /nfs/dbraw/zinc/73/34/62/677733462.db2.gz FJRWSUQNZPIVMK-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076064007 677733476 /nfs/dbraw/zinc/73/34/76/677733476.db2.gz JVMIEFMXMUPSJZ-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001076064007 677733479 /nfs/dbraw/zinc/73/34/79/677733479.db2.gz JVMIEFMXMUPSJZ-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128155 677733973 /nfs/dbraw/zinc/73/39/73/677733973.db2.gz GFIUYMUPVHNGAQ-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076132105 677734590 /nfs/dbraw/zinc/73/45/90/677734590.db2.gz UNWREICGPIQBKG-YNEHKIRRSA-N 1 1 318.381 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133050 677734696 /nfs/dbraw/zinc/73/46/96/677734696.db2.gz IGIFWRZALHHYPS-HBNTYKKESA-N 1 1 309.370 -1.711 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001076133050 677734698 /nfs/dbraw/zinc/73/46/98/677734698.db2.gz IGIFWRZALHHYPS-HBNTYKKESA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137990 677735032 /nfs/dbraw/zinc/73/50/32/677735032.db2.gz LHGGFPOUBBMUFV-VHSXEESVSA-N 1 1 307.358 -1.555 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076137990 677735033 /nfs/dbraw/zinc/73/50/33/677735033.db2.gz LHGGFPOUBBMUFV-VHSXEESVSA-N 1 1 307.358 -1.555 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076195403 677735230 /nfs/dbraw/zinc/73/52/30/677735230.db2.gz PBTLNTLCARYLBQ-QJPTWQEYSA-N 1 1 319.369 -1.508 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076199661 677735389 /nfs/dbraw/zinc/73/53/89/677735389.db2.gz WWNOXTLBMCIVFE-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076249928 677737100 /nfs/dbraw/zinc/73/71/00/677737100.db2.gz IZVZVBQVQYHQKW-QNWHQSFQSA-N 1 1 320.393 -1.127 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076249928 677737104 /nfs/dbraw/zinc/73/71/04/677737104.db2.gz IZVZVBQVQYHQKW-QNWHQSFQSA-N 1 1 320.393 -1.127 20 0 DAADMO C[C@@H](CCNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076227166 677737110 /nfs/dbraw/zinc/73/71/10/677737110.db2.gz NTELCKDQYDVVAL-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)n(C)c1=O ZINC001076314555 677738694 /nfs/dbraw/zinc/73/86/94/677738694.db2.gz FLALSPYIDHVFGB-CMPLNLGQSA-N 1 1 322.365 -1.777 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076351413 677739577 /nfs/dbraw/zinc/73/95/77/677739577.db2.gz ZLKYCOWOCJTFFC-BFVXHGPNSA-N 1 1 322.365 -1.500 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC001076351085 677739640 /nfs/dbraw/zinc/73/96/40/677739640.db2.gz QIXACNSANSUBRA-TUAOUCFPSA-N 1 1 317.411 -1.455 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355761 677739870 /nfs/dbraw/zinc/73/98/70/677739870.db2.gz FFHYLRXNBXLSRH-WCBMZHEXSA-N 1 1 308.338 -1.943 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355761 677739871 /nfs/dbraw/zinc/73/98/71/677739871.db2.gz FFHYLRXNBXLSRH-WCBMZHEXSA-N 1 1 308.338 -1.943 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369188 677740272 /nfs/dbraw/zinc/74/02/72/677740272.db2.gz LBIIGWVLRQAPEW-LPEHRKFASA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369188 677740275 /nfs/dbraw/zinc/74/02/75/677740275.db2.gz LBIIGWVLRQAPEW-LPEHRKFASA-N 1 1 323.353 -2.055 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cn1C ZINC001083547284 677741347 /nfs/dbraw/zinc/74/13/47/677741347.db2.gz DNXCWSYUBLDJFO-OCCSQVGLSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1C ZINC001083547284 677741348 /nfs/dbraw/zinc/74/13/48/677741348.db2.gz DNXCWSYUBLDJFO-OCCSQVGLSA-N 1 1 309.366 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001076407488 677741759 /nfs/dbraw/zinc/74/17/59/677741759.db2.gz HDRFUVIZQKVHGF-NWDGAFQWSA-N 1 1 319.365 -1.349 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnccc3=O)[C@@H]2C1 ZINC001076407488 677741765 /nfs/dbraw/zinc/74/17/65/677741765.db2.gz HDRFUVIZQKVHGF-NWDGAFQWSA-N 1 1 319.365 -1.349 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076444456 677742471 /nfs/dbraw/zinc/74/24/71/677742471.db2.gz BSLVOVCBBRKHLB-GARJFASQSA-N 1 1 304.354 -1.232 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001076531640 677743596 /nfs/dbraw/zinc/74/35/96/677743596.db2.gz WAHCLBUAXIRURY-WDEREUQCSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076543966 677743651 /nfs/dbraw/zinc/74/36/51/677743651.db2.gz IGRRUSAXNVDGIL-GARJFASQSA-N 1 1 310.354 -1.548 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076536718 677743656 /nfs/dbraw/zinc/74/36/56/677743656.db2.gz BEVGLUIYDJOXFD-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076536718 677743659 /nfs/dbraw/zinc/74/36/59/677743659.db2.gz BEVGLUIYDJOXFD-CMPLNLGQSA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544068 677743697 /nfs/dbraw/zinc/74/36/97/677743697.db2.gz NMXNHVMEBRDADM-LPEHRKFASA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544068 677743699 /nfs/dbraw/zinc/74/36/99/677743699.db2.gz NMXNHVMEBRDADM-LPEHRKFASA-N 1 1 323.353 -2.055 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541654 677743818 /nfs/dbraw/zinc/74/38/18/677743818.db2.gz LHTQWEGMVCZNLN-NWDGAFQWSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541654 677743820 /nfs/dbraw/zinc/74/38/20/677743820.db2.gz LHTQWEGMVCZNLN-NWDGAFQWSA-N 1 1 306.370 -1.101 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001083549994 677744416 /nfs/dbraw/zinc/74/44/16/677744416.db2.gz LURXJIKCJPKUJI-UTUOFQBUSA-N 1 1 322.369 -1.892 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001083549994 677744418 /nfs/dbraw/zinc/74/44/18/677744418.db2.gz LURXJIKCJPKUJI-UTUOFQBUSA-N 1 1 322.369 -1.892 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076589798 677744856 /nfs/dbraw/zinc/74/48/56/677744856.db2.gz OIQKYGVLNDYFRZ-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)Cn1ncnn1 ZINC001076598432 677744964 /nfs/dbraw/zinc/74/49/64/677744964.db2.gz AFNYXAHFEHFXTD-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC001076609311 677745357 /nfs/dbraw/zinc/74/53/57/677745357.db2.gz FZIBSTZCAFRALA-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC1=O ZINC001076609311 677745360 /nfs/dbraw/zinc/74/53/60/677745360.db2.gz FZIBSTZCAFRALA-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615648 677746195 /nfs/dbraw/zinc/74/61/95/677746195.db2.gz ZLOXVNIJCVTBAW-OUAUKWLOSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615648 677746198 /nfs/dbraw/zinc/74/61/98/677746198.db2.gz ZLOXVNIJCVTBAW-OUAUKWLOSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615647 677746236 /nfs/dbraw/zinc/74/62/36/677746236.db2.gz ZLOXVNIJCVTBAW-GARJFASQSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001076615647 677746238 /nfs/dbraw/zinc/74/62/38/677746238.db2.gz ZLOXVNIJCVTBAW-GARJFASQSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076651354 677747500 /nfs/dbraw/zinc/74/75/00/677747500.db2.gz BUEQMMRHZZJPAG-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C(F)F ZINC001076659611 677748021 /nfs/dbraw/zinc/74/80/21/677748021.db2.gz AYCQOZYNFOEYOP-HTQZYQBOSA-N 1 1 320.296 -1.645 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C(F)F ZINC001076659611 677748023 /nfs/dbraw/zinc/74/80/23/677748023.db2.gz AYCQOZYNFOEYOP-HTQZYQBOSA-N 1 1 320.296 -1.645 20 0 DAADMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001076723915 677751696 /nfs/dbraw/zinc/75/16/96/677751696.db2.gz FLSJEHWOJZBHLF-IJLUTSLNSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076724404 677751795 /nfs/dbraw/zinc/75/17/95/677751795.db2.gz UGAWYKYXBVWQKF-NXEZZACHSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076724404 677751797 /nfs/dbraw/zinc/75/17/97/677751797.db2.gz UGAWYKYXBVWQKF-NXEZZACHSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001076728857 677752322 /nfs/dbraw/zinc/75/23/22/677752322.db2.gz TVTYGRGDRYPJDW-JHJVBQTASA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)cn1 ZINC001076727112 677752479 /nfs/dbraw/zinc/75/24/79/677752479.db2.gz ICRSSUAQXZLHCN-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)cn1 ZINC001076727112 677752480 /nfs/dbraw/zinc/75/24/80/677752480.db2.gz ICRSSUAQXZLHCN-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001076724458 677752569 /nfs/dbraw/zinc/75/25/69/677752569.db2.gz WORSDQHGBPVOPE-GHMZBOCLSA-N 1 1 323.382 -1.466 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001076724458 677752571 /nfs/dbraw/zinc/75/25/71/677752571.db2.gz WORSDQHGBPVOPE-GHMZBOCLSA-N 1 1 323.382 -1.466 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076746601 677753085 /nfs/dbraw/zinc/75/30/85/677753085.db2.gz IQHXYYXKYGDJEU-VXGBXAGGSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076746601 677753088 /nfs/dbraw/zinc/75/30/88/677753088.db2.gz IQHXYYXKYGDJEU-VXGBXAGGSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076744130 677753654 /nfs/dbraw/zinc/75/36/54/677753654.db2.gz RBISSRFRDRZTOM-CHWSQXEVSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076744130 677753659 /nfs/dbraw/zinc/75/36/59/677753659.db2.gz RBISSRFRDRZTOM-CHWSQXEVSA-N 1 1 304.354 -1.059 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076743937 677753767 /nfs/dbraw/zinc/75/37/67/677753767.db2.gz HSOPDLVENCBWGT-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076743937 677753773 /nfs/dbraw/zinc/75/37/73/677753773.db2.gz HSOPDLVENCBWGT-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 ZINC001076760751 677754341 /nfs/dbraw/zinc/75/43/41/677754341.db2.gz QNXWFTXSUYDKPL-MGPQQGTHSA-N 1 1 324.381 -1.461 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3COCCO3)C2)cn1 ZINC001076760751 677754343 /nfs/dbraw/zinc/75/43/43/677754343.db2.gz QNXWFTXSUYDKPL-MGPQQGTHSA-N 1 1 324.381 -1.461 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1COCCO1 ZINC001076761051 677754358 /nfs/dbraw/zinc/75/43/58/677754358.db2.gz WJUYUAGFJHPMFA-JHJVBQTASA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1COCCO1 ZINC001076761051 677754360 /nfs/dbraw/zinc/75/43/60/677754360.db2.gz WJUYUAGFJHPMFA-JHJVBQTASA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076759277 677754592 /nfs/dbraw/zinc/75/45/92/677754592.db2.gz PQKFWQYIEPBYDF-GHMZBOCLSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076759277 677754593 /nfs/dbraw/zinc/75/45/93/677754593.db2.gz PQKFWQYIEPBYDF-GHMZBOCLSA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1ccn[nH]1 ZINC001076765846 677754694 /nfs/dbraw/zinc/75/46/94/677754694.db2.gz SMIDAWFVMCCIMC-YUSALJHKSA-N 1 1 317.353 -1.036 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)CC(N)=O)C1 ZINC001076769374 677755562 /nfs/dbraw/zinc/75/55/62/677755562.db2.gz YHUJVNNUGDCASR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)NC(=O)CC(N)=O)C1 ZINC001076769374 677755563 /nfs/dbraw/zinc/75/55/63/677755563.db2.gz YHUJVNNUGDCASR-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083554054 677756586 /nfs/dbraw/zinc/75/65/86/677756586.db2.gz KOQAIHXAXBFLCV-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001076787308 677757048 /nfs/dbraw/zinc/75/70/48/677757048.db2.gz NTZDGFWXRDOHNM-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC001076787308 677757050 /nfs/dbraw/zinc/75/70/50/677757050.db2.gz NTZDGFWXRDOHNM-CHWSQXEVSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@@H]3O)nn2c1 ZINC001083554368 677757626 /nfs/dbraw/zinc/75/76/26/677757626.db2.gz AWHBNRFJWFJNJY-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@@H]3O)nn2c1 ZINC001083554368 677757629 /nfs/dbraw/zinc/75/76/29/677757629.db2.gz AWHBNRFJWFJNJY-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076801543 677757857 /nfs/dbraw/zinc/75/78/57/677757857.db2.gz PCJOLNVERTYKBB-CHWSQXEVSA-N 1 1 324.381 -1.133 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C1=COCCC1 ZINC001076801543 677757858 /nfs/dbraw/zinc/75/78/58/677757858.db2.gz PCJOLNVERTYKBB-CHWSQXEVSA-N 1 1 324.381 -1.133 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812938 677759424 /nfs/dbraw/zinc/75/94/24/677759424.db2.gz YIZKSLQJWQCMMM-JHJVBQTASA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812937 677759527 /nfs/dbraw/zinc/75/95/27/677759527.db2.gz YIZKSLQJWQCMMM-FRRDWIJNSA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001076812752 677759545 /nfs/dbraw/zinc/75/95/45/677759545.db2.gz SGLWJXFHVVBQCT-GMTAPVOTSA-N 1 1 324.385 -2.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001076811724 677759743 /nfs/dbraw/zinc/75/97/43/677759743.db2.gz RRBXAXYWARYQHX-JHJVBQTASA-N 1 1 310.398 -1.526 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001076820062 677760978 /nfs/dbraw/zinc/76/09/78/677760978.db2.gz LKCWNYMRHMTEFC-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1=O ZINC001076820062 677760981 /nfs/dbraw/zinc/76/09/81/677760981.db2.gz LKCWNYMRHMTEFC-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001076829184 677761070 /nfs/dbraw/zinc/76/10/70/677761070.db2.gz ZTRZECOTILRFDR-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)C1=O ZINC001076829184 677761072 /nfs/dbraw/zinc/76/10/72/677761072.db2.gz ZTRZECOTILRFDR-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 ZINC001083554725 677761403 /nfs/dbraw/zinc/76/14/03/677761403.db2.gz SMHGSKHCKSDNRF-MNOVXSKESA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H](O)C1 ZINC001083554725 677761406 /nfs/dbraw/zinc/76/14/06/677761406.db2.gz SMHGSKHCKSDNRF-MNOVXSKESA-N 1 1 320.353 -1.146 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001076837165 677761413 /nfs/dbraw/zinc/76/14/13/677761413.db2.gz QSKBBDHAHQXMBQ-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001076837165 677761415 /nfs/dbraw/zinc/76/14/15/677761415.db2.gz QSKBBDHAHQXMBQ-JHJVBQTASA-N 1 1 324.385 -2.193 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076838730 677761422 /nfs/dbraw/zinc/76/14/22/677761422.db2.gz KFEAJPGTCFBOAU-JHJVBQTASA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076838730 677761425 /nfs/dbraw/zinc/76/14/25/677761425.db2.gz KFEAJPGTCFBOAU-JHJVBQTASA-N 1 1 324.385 -2.230 20 0 DAADMO Cc1nocc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076835981 677761468 /nfs/dbraw/zinc/76/14/68/677761468.db2.gz SIBJQLKVFLLTAC-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nocc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076835981 677761469 /nfs/dbraw/zinc/76/14/69/677761469.db2.gz SIBJQLKVFLLTAC-MGPQQGTHSA-N 1 1 324.381 -1.025 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076835779 677761709 /nfs/dbraw/zinc/76/17/09/677761709.db2.gz KWAURPOWTRXYJI-IJLUTSLNSA-N 1 1 314.386 -2.434 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076835779 677761714 /nfs/dbraw/zinc/76/17/14/677761714.db2.gz KWAURPOWTRXYJI-IJLUTSLNSA-N 1 1 314.386 -2.434 20 0 DAADMO Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001076834081 677761924 /nfs/dbraw/zinc/76/19/24/677761924.db2.gz DPQMQJORPQXALU-UPJWGTAASA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001076834081 677761926 /nfs/dbraw/zinc/76/19/26/677761926.db2.gz DPQMQJORPQXALU-UPJWGTAASA-N 1 1 324.381 -1.025 20 0 DAADMO CC1CC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001076863298 677762758 /nfs/dbraw/zinc/76/27/58/677762758.db2.gz CAGPXNUHJJTGPL-KIDURHIOSA-N 1 1 324.381 -1.254 20 0 DAADMO CC1CC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001076863298 677762760 /nfs/dbraw/zinc/76/27/60/677762760.db2.gz CAGPXNUHJJTGPL-KIDURHIOSA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555458 677764903 /nfs/dbraw/zinc/76/49/03/677764903.db2.gz JOMLGNIVLVIEBH-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555458 677764905 /nfs/dbraw/zinc/76/49/05/677764905.db2.gz JOMLGNIVLVIEBH-MNOVXSKESA-N 1 1 319.325 -1.751 20 0 DAADMO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076897018 677765960 /nfs/dbraw/zinc/76/59/60/677765960.db2.gz CPYGVPINHXGSIE-GMTAPVOTSA-N 1 1 324.381 -1.254 20 0 DAADMO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076897018 677765962 /nfs/dbraw/zinc/76/59/62/677765962.db2.gz CPYGVPINHXGSIE-GMTAPVOTSA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001076910230 677766720 /nfs/dbraw/zinc/76/67/20/677766720.db2.gz FEMLCMSHUUQTOX-GMTAPVOTSA-N 1 1 311.342 -1.819 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001076904057 677767542 /nfs/dbraw/zinc/76/75/42/677767542.db2.gz AXLFIVMADWKQDZ-MGPQQGTHSA-N 1 1 313.398 -1.484 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076904330 677767579 /nfs/dbraw/zinc/76/75/79/677767579.db2.gz YNEXBZBGDUWPRA-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)n1cncn1 ZINC001076906208 677768295 /nfs/dbraw/zinc/76/82/95/677768295.db2.gz QXSJLAZGLCEGNL-IJLUTSLNSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)n1cncn1 ZINC001076906208 677768300 /nfs/dbraw/zinc/76/83/00/677768300.db2.gz QXSJLAZGLCEGNL-IJLUTSLNSA-N 1 1 320.357 -1.708 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)cc1=O ZINC001076930975 677769919 /nfs/dbraw/zinc/76/99/19/677769919.db2.gz RUGYSZULWMWWKM-GMTAPVOTSA-N 1 1 311.338 -1.210 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076948407 677772345 /nfs/dbraw/zinc/77/23/45/677772345.db2.gz HEZNKNGWZDPGSQ-MWLCHTKSSA-N 1 1 323.357 -2.385 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076948407 677772349 /nfs/dbraw/zinc/77/23/49/677772349.db2.gz HEZNKNGWZDPGSQ-MWLCHTKSSA-N 1 1 323.357 -2.385 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001076962507 677773445 /nfs/dbraw/zinc/77/34/45/677773445.db2.gz VBMYTKDOFDKKES-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001076962507 677773449 /nfs/dbraw/zinc/77/34/49/677773449.db2.gz VBMYTKDOFDKKES-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001076964173 677773875 /nfs/dbraw/zinc/77/38/75/677773875.db2.gz PZCPZBOPVUKHCY-VXGBXAGGSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)n1 ZINC001076964173 677773880 /nfs/dbraw/zinc/77/38/80/677773880.db2.gz PZCPZBOPVUKHCY-VXGBXAGGSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)nn1 ZINC001076960762 677774116 /nfs/dbraw/zinc/77/41/16/677774116.db2.gz TWHAWLZTDWOMCA-MWLCHTKSSA-N 1 1 323.357 -2.385 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)nn1 ZINC001076960762 677774117 /nfs/dbraw/zinc/77/41/17/677774117.db2.gz TWHAWLZTDWOMCA-MWLCHTKSSA-N 1 1 323.357 -2.385 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CC1(F)F ZINC001076967113 677774433 /nfs/dbraw/zinc/77/44/33/677774433.db2.gz DNWRSMMIXGQMID-OPRDCNLKSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CC1(F)F ZINC001076967113 677774437 /nfs/dbraw/zinc/77/44/37/677774437.db2.gz DNWRSMMIXGQMID-OPRDCNLKSA-N 1 1 318.324 -1.172 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076968069 677774784 /nfs/dbraw/zinc/77/47/84/677774784.db2.gz NJJCGAVEFSMKFV-ZYHUDNBSSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076968069 677774787 /nfs/dbraw/zinc/77/47/87/677774787.db2.gz NJJCGAVEFSMKFV-ZYHUDNBSSA-N 1 1 320.357 -1.635 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)[nH]1 ZINC001076980843 677775793 /nfs/dbraw/zinc/77/57/93/677775793.db2.gz XPBFLWIJEOPAAD-GHMZBOCLSA-N 1 1 320.357 -1.891 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)[nH]1 ZINC001076980843 677775796 /nfs/dbraw/zinc/77/57/96/677775796.db2.gz XPBFLWIJEOPAAD-GHMZBOCLSA-N 1 1 320.357 -1.891 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972480 677776297 /nfs/dbraw/zinc/77/62/97/677776297.db2.gz GOUVPPVNXURHAC-NXEZZACHSA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076972480 677776300 /nfs/dbraw/zinc/77/63/00/677776300.db2.gz GOUVPPVNXURHAC-NXEZZACHSA-N 1 1 308.342 -1.790 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001076985037 677776828 /nfs/dbraw/zinc/77/68/28/677776828.db2.gz PNWHGAJOPWZNHG-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c(C)n1 ZINC001076992077 677776989 /nfs/dbraw/zinc/77/69/89/677776989.db2.gz DBYUULYKQAFXDV-CHWSQXEVSA-N 1 1 312.370 -1.395 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(C)n1 ZINC001076992077 677776990 /nfs/dbraw/zinc/77/69/90/677776990.db2.gz DBYUULYKQAFXDV-CHWSQXEVSA-N 1 1 312.370 -1.395 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001636 677777640 /nfs/dbraw/zinc/77/76/40/677777640.db2.gz CTNYFMCGRNSBHU-NXEZZACHSA-N 1 1 323.382 -1.200 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001636 677777641 /nfs/dbraw/zinc/77/76/41/677777641.db2.gz CTNYFMCGRNSBHU-NXEZZACHSA-N 1 1 323.382 -1.200 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077003230 677778250 /nfs/dbraw/zinc/77/82/50/677778250.db2.gz ZHBQUVHFRPPKGF-NXEZZACHSA-N 1 1 316.312 -1.120 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077003965 677778919 /nfs/dbraw/zinc/77/89/19/677778919.db2.gz HPPBXXNHPGCQSF-IJLUTSLNSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077004026 677779012 /nfs/dbraw/zinc/77/90/12/677779012.db2.gz JZHNLVOGTIXJPI-QJPTWQEYSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077003933 677779088 /nfs/dbraw/zinc/77/90/88/677779088.db2.gz GANQHCUVJQHRMP-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077003933 677779090 /nfs/dbraw/zinc/77/90/90/677779090.db2.gz GANQHCUVJQHRMP-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026698 677779492 /nfs/dbraw/zinc/77/94/92/677779492.db2.gz GHBAKPSOHIHLMC-HBNTYKKESA-N 1 1 324.385 -1.416 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)n1 ZINC001077026692 677779754 /nfs/dbraw/zinc/77/97/54/677779754.db2.gz FZPYQUNMEWEDOZ-RKDXNWHRSA-N 1 1 314.321 -2.102 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077031683 677780413 /nfs/dbraw/zinc/78/04/13/677780413.db2.gz XKUJOCHQOZKLEH-SFTQSGBHSA-N 1 1 307.354 -1.524 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077031683 677780419 /nfs/dbraw/zinc/78/04/19/677780419.db2.gz XKUJOCHQOZKLEH-SFTQSGBHSA-N 1 1 307.354 -1.524 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077057409 677780632 /nfs/dbraw/zinc/78/06/32/677780632.db2.gz OCMMZNSRUOETOY-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077063177 677780660 /nfs/dbraw/zinc/78/06/60/677780660.db2.gz BKFMYDLXRZHELH-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077063177 677780663 /nfs/dbraw/zinc/78/06/63/677780663.db2.gz BKFMYDLXRZHELH-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077057408 677781030 /nfs/dbraw/zinc/78/10/30/677781030.db2.gz OCMMZNSRUOETOY-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063490 677781300 /nfs/dbraw/zinc/78/13/00/677781300.db2.gz PHBYIVFRWXFHOI-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1=O ZINC001077084269 677782091 /nfs/dbraw/zinc/78/20/91/677782091.db2.gz OMDPEHDJKXZHFS-JHJVBQTASA-N 1 1 321.381 -1.477 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CC1=O ZINC001077084269 677782092 /nfs/dbraw/zinc/78/20/92/677782092.db2.gz OMDPEHDJKXZHFS-JHJVBQTASA-N 1 1 321.381 -1.477 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093434 677782315 /nfs/dbraw/zinc/78/23/15/677782315.db2.gz OLBYZJUZVQOVEQ-HBNTYKKESA-N 1 1 321.399 -2.436 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc(Br)n[nH]1 ZINC001077081920 677782622 /nfs/dbraw/zinc/78/26/22/677782622.db2.gz QXIXTCDOTIGZDV-HTQZYQBOSA-N 1 1 319.159 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(Br)n[nH]1 ZINC001077081920 677782627 /nfs/dbraw/zinc/78/26/27/677782627.db2.gz QXIXTCDOTIGZDV-HTQZYQBOSA-N 1 1 319.159 -1.061 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1=O ZINC001077092276 677782721 /nfs/dbraw/zinc/78/27/21/677782721.db2.gz MVTMHEKXPBOILL-NXEZZACHSA-N 1 1 312.326 -3.299 20 0 DAADMO CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077086128 677782762 /nfs/dbraw/zinc/78/27/62/677782762.db2.gz MCLYKDBDKSODEP-QJPTWQEYSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001077095976 677783131 /nfs/dbraw/zinc/78/31/31/677783131.db2.gz RYYCPHIMNITUSK-WHGOUJPWSA-N 1 1 306.326 -1.491 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1C(=O)CCC1=O ZINC001077087660 677783177 /nfs/dbraw/zinc/78/31/77/677783177.db2.gz PCBWGEIULLNWFM-GMTAPVOTSA-N 1 1 313.354 -1.932 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077088693 677783223 /nfs/dbraw/zinc/78/32/23/677783223.db2.gz FRZPLYVAGBCBDD-QJPTWQEYSA-N 1 1 315.370 -2.365 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCc2ncncc2C1 ZINC001077117112 677783828 /nfs/dbraw/zinc/78/38/28/677783828.db2.gz MQBOZUATVVVMLH-ZLKJLUDKSA-N 1 1 306.366 -1.265 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001077101334 677784027 /nfs/dbraw/zinc/78/40/27/677784027.db2.gz NDHPJIBJRAORCH-XXILOJSOSA-N 1 1 310.354 -1.051 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077101334 677784032 /nfs/dbraw/zinc/78/40/32/677784032.db2.gz NDHPJIBJRAORCH-XXILOJSOSA-N 1 1 310.354 -1.051 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001077129849 677785047 /nfs/dbraw/zinc/78/50/47/677785047.db2.gz CJZKBDNEXOVQKQ-ZWKOPEQDSA-N 1 1 309.370 -1.302 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130725 677785109 /nfs/dbraw/zinc/78/51/09/677785109.db2.gz GQCJFAISWUFNNH-GRYCIOLGSA-N 1 1 321.381 -1.332 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077132332 677785306 /nfs/dbraw/zinc/78/53/06/677785306.db2.gz UBKDUWBIVBRUTD-JHJVBQTASA-N 1 1 312.414 -1.104 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140913 677785692 /nfs/dbraw/zinc/78/56/92/677785692.db2.gz LJZYTODMKOFCED-GMTAPVOTSA-N 1 1 301.343 -2.613 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077141062 677785744 /nfs/dbraw/zinc/78/57/44/677785744.db2.gz TWRDJLRPYYZGCN-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn2ncccc12 ZINC001077145665 677785805 /nfs/dbraw/zinc/78/58/05/677785805.db2.gz IUXFOONOBSJHER-DGCLKSJQSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077140744 677786076 /nfs/dbraw/zinc/78/60/76/677786076.db2.gz CMZVQPFHHYNQIP-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cccc2c1NC(=O)CO2 ZINC001077147648 677786294 /nfs/dbraw/zinc/78/62/94/677786294.db2.gz ZDOUZGUHGGDFLZ-GHMZBOCLSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc2c1NC(=O)CO2 ZINC001077147648 677786298 /nfs/dbraw/zinc/78/62/98/677786298.db2.gz ZDOUZGUHGGDFLZ-GHMZBOCLSA-N 1 1 321.333 -1.215 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077156704 677786783 /nfs/dbraw/zinc/78/67/83/677786783.db2.gz KDZYXBBUQJNGDP-HBNTYKKESA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001077157179 677787415 /nfs/dbraw/zinc/78/74/15/677787415.db2.gz XEIRBXSMXQWJCS-QJPTWQEYSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077152934 677788204 /nfs/dbraw/zinc/78/82/04/677788204.db2.gz UGMYJRRUZQLEOW-ZIAGYGMSSA-N 1 1 319.361 -1.123 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1CCCNC1=O ZINC001077175689 677788804 /nfs/dbraw/zinc/78/88/04/677788804.db2.gz JNUADEXTTAPCHW-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199302 677791113 /nfs/dbraw/zinc/79/11/13/677791113.db2.gz HLQGBPGTLFHTNB-MVWJERBFSA-N 1 1 308.338 -1.006 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077196609 677791149 /nfs/dbraw/zinc/79/11/49/677791149.db2.gz BISDBPDKCHZWCY-NQBHXWOUSA-N 1 1 312.370 -1.315 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(=O)[nH]c1C ZINC001077209426 677791759 /nfs/dbraw/zinc/79/17/59/677791759.db2.gz HGYCOYOLHDXFLU-AVPPRXQKSA-N 1 1 310.354 -1.458 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001077237715 677792088 /nfs/dbraw/zinc/79/20/88/677792088.db2.gz QHVMIAXLHFPKTK-IJLUTSLNSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001077231163 677792165 /nfs/dbraw/zinc/79/21/65/677792165.db2.gz DAJWPCKIIOYAKO-OASPWFOLSA-N 1 1 322.365 -1.735 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001077231007 677792280 /nfs/dbraw/zinc/79/22/80/677792280.db2.gz WBHAADOTGPYNSR-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001077231007 677792285 /nfs/dbraw/zinc/79/22/85/677792285.db2.gz WBHAADOTGPYNSR-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001077231446 677792388 /nfs/dbraw/zinc/79/23/88/677792388.db2.gz QVBCIXNMVLDRCY-CHWSQXEVSA-N 1 1 322.365 -1.469 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077237717 677792485 /nfs/dbraw/zinc/79/24/85/677792485.db2.gz QJUUWBNHOZTPMQ-HZSPNIEDSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)O1 ZINC001077220292 677792553 /nfs/dbraw/zinc/79/25/53/677792553.db2.gz IYTNCVGETKTMSP-GWOFURMSSA-N 1 1 300.359 -2.648 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)O1 ZINC001077220292 677792557 /nfs/dbraw/zinc/79/25/57/677792557.db2.gz IYTNCVGETKTMSP-GWOFURMSSA-N 1 1 300.359 -2.648 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)ccc21 ZINC001077231361 677792608 /nfs/dbraw/zinc/79/26/08/677792608.db2.gz NQJYEHWBZHVDSL-DGCLKSJQSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)ccc21 ZINC001077231361 677792611 /nfs/dbraw/zinc/79/26/11/677792611.db2.gz NQJYEHWBZHVDSL-DGCLKSJQSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001077236684 677792862 /nfs/dbraw/zinc/79/28/62/677792862.db2.gz PVUXFEBVSALSHT-HZSPNIEDSA-N 1 1 322.413 -1.039 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569489 677793319 /nfs/dbraw/zinc/79/33/19/677793319.db2.gz WBHAADOTGPYNSR-PWSUYJOCSA-N 1 1 310.354 -1.165 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569489 677793321 /nfs/dbraw/zinc/79/33/21/677793321.db2.gz WBHAADOTGPYNSR-PWSUYJOCSA-N 1 1 310.354 -1.165 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264107 677794405 /nfs/dbraw/zinc/79/44/05/677794405.db2.gz DGXOOCSPWMCYQG-HBNTYKKESA-N 1 1 313.358 -2.222 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264248 677794466 /nfs/dbraw/zinc/79/44/66/677794466.db2.gz LJWIENBAAPNQPZ-QJPTWQEYSA-N 1 1 311.386 -1.211 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260438 677794510 /nfs/dbraw/zinc/79/45/10/677794510.db2.gz HIPAKEQTIWJAHB-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2O)c1=O ZINC001077264385 677794531 /nfs/dbraw/zinc/79/45/31/677794531.db2.gz RFRGKENJOAKNQQ-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO O=C(Cn1nnc(-c2ccco2)n1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077281167 677795820 /nfs/dbraw/zinc/79/58/20/677795820.db2.gz YHCGCLZLRJAYKS-NXEZZACHSA-N 1 1 322.325 -1.913 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297153 677797455 /nfs/dbraw/zinc/79/74/55/677797455.db2.gz VTTCXZJQAFXCJB-HBNTYKKESA-N 1 1 300.359 -2.056 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297151 677797717 /nfs/dbraw/zinc/79/77/17/677797717.db2.gz VTMQGABDHZVSEC-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001077299375 677798242 /nfs/dbraw/zinc/79/82/42/677798242.db2.gz YMNWTLKBURTHOU-HOSYDEDBSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001077304637 677799024 /nfs/dbraw/zinc/79/90/24/677799024.db2.gz RJYHIKDAOJJSDT-MVWJERBFSA-N 1 1 310.354 -1.179 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001077318771 677799716 /nfs/dbraw/zinc/79/97/16/677799716.db2.gz MYSVPQYYDYJYAD-CKYFFXLPSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001077365189 677801226 /nfs/dbraw/zinc/80/12/26/677801226.db2.gz APMOTTDMCDUBMF-MVWJERBFSA-N 1 1 310.354 -1.179 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001077343536 677801324 /nfs/dbraw/zinc/80/13/24/677801324.db2.gz XOJOZFJUIYVZKO-VXGBXAGGSA-N 1 1 310.354 -1.316 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083573851 677801535 /nfs/dbraw/zinc/80/15/35/677801535.db2.gz WMCVEOGVQMRVGV-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077379589 677801953 /nfs/dbraw/zinc/80/19/53/677801953.db2.gz PVMZTKHAZPJGQP-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077379512 677802055 /nfs/dbraw/zinc/80/20/55/677802055.db2.gz OWTQDMPFDFPVNM-JMJZKYOTSA-N 1 1 306.326 -1.720 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001077394764 677802995 /nfs/dbraw/zinc/80/29/95/677802995.db2.gz CJBUFTUXAHGXRY-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001077395019 677803050 /nfs/dbraw/zinc/80/30/50/677803050.db2.gz PFMFLDUPCNWVTD-IJLUTSLNSA-N 1 1 307.354 -1.759 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392870 677803320 /nfs/dbraw/zinc/80/33/20/677803320.db2.gz VQFCLINCVMGLLC-IJLUTSLNSA-N 1 1 309.370 -1.383 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 ZINC001077410017 677803887 /nfs/dbraw/zinc/80/38/87/677803887.db2.gz VVSVNAJHTZTPRK-CYZMBNFOSA-N 1 1 319.365 -1.027 20 0 DAADMO Cc1cnc2c(cnn2CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001077398403 677803961 /nfs/dbraw/zinc/80/39/61/677803961.db2.gz SLHARSOXNUVMLU-CHWSQXEVSA-N 1 1 319.365 -1.107 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2ccccn2c1=O ZINC001083575914 677804036 /nfs/dbraw/zinc/80/40/36/677804036.db2.gz XDLBNUGTIXIGIR-NEPJUHHUSA-N 1 1 318.333 -1.538 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001077422429 677804416 /nfs/dbraw/zinc/80/44/16/677804416.db2.gz XVQFRZLCJHPWIA-ONGXEEELSA-N 1 1 322.369 -1.116 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 ZINC001077421030 677804558 /nfs/dbraw/zinc/80/45/58/677804558.db2.gz GZQGWUJVGJCEIU-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077413384 677804735 /nfs/dbraw/zinc/80/47/35/677804735.db2.gz VDVZQNSNCAZISI-HOSYDEDBSA-N 1 1 310.354 -1.410 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)CNC(N)=O ZINC001077421296 677804749 /nfs/dbraw/zinc/80/47/49/677804749.db2.gz SYEUSNDYFNBWMH-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077413383 677804759 /nfs/dbraw/zinc/80/47/59/677804759.db2.gz VDVZQNSNCAZISI-CKYFFXLPSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1)OC ZINC001077413199 677804804 /nfs/dbraw/zinc/80/48/04/677804804.db2.gz KKXKKEYFFNBGQJ-DMDPSCGWSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2nccn2C1 ZINC001083583790 677805216 /nfs/dbraw/zinc/80/52/16/677805216.db2.gz RNPQNVNRTAMYIQ-UPJWGTAASA-N 1 1 308.382 -1.011 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083582944 677805606 /nfs/dbraw/zinc/80/56/06/677805606.db2.gz MBMKEVUZTSCSKD-MNOVXSKESA-N 1 1 300.359 -3.086 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582752 677805748 /nfs/dbraw/zinc/80/57/48/677805748.db2.gz DQDGKPKQRFCPGA-NEPJUHHUSA-N 1 1 314.386 -2.432 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582713 677805759 /nfs/dbraw/zinc/80/57/59/677805759.db2.gz CDUQNIBDTQQDNG-OLZOCXBDSA-N 1 1 312.414 -1.422 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2O)c1=O ZINC001083585872 677805948 /nfs/dbraw/zinc/80/59/48/677805948.db2.gz RFRGKENJOAKNQQ-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083588007 677806049 /nfs/dbraw/zinc/80/60/49/677806049.db2.gz SSYMJGPMQJFGOS-AGIUHOORSA-N 1 1 301.387 -1.749 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083587945 677806128 /nfs/dbraw/zinc/80/61/28/677806128.db2.gz QWHIRFUZSGLGAU-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585743 677806196 /nfs/dbraw/zinc/80/61/96/677806196.db2.gz LTZIRWZZGSNYEF-NEPJUHHUSA-N 1 1 309.370 -1.291 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)c1=O ZINC001083586168 677806415 /nfs/dbraw/zinc/80/64/15/677806415.db2.gz GOLVAWGGOZWYED-NEPJUHHUSA-N 1 1 309.370 -1.457 20 0 DAADMO NC(=O)C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083591226 677806805 /nfs/dbraw/zinc/80/68/05/677806805.db2.gz SMPFGQMPRLTQRF-TUUUFIMRSA-N 1 1 313.398 -1.178 20 0 DAADMO COC(=O)C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)OC ZINC000905708121 677806866 /nfs/dbraw/zinc/80/68/66/677806866.db2.gz ZKWNNRVMRFWEGU-LLVKDONJSA-N 1 1 315.370 -1.299 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083592504 677806988 /nfs/dbraw/zinc/80/69/88/677806988.db2.gz FAAHSFFAKVIXPO-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCC(=O)NC1 ZINC001083592504 677806990 /nfs/dbraw/zinc/80/69/90/677806990.db2.gz FAAHSFFAKVIXPO-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083593342 677807502 /nfs/dbraw/zinc/80/75/02/677807502.db2.gz KVBCYNVVNBMQLQ-UPJWGTAASA-N 1 1 312.414 -1.247 20 0 DAADMO Cn1ncnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038135017 677808407 /nfs/dbraw/zinc/80/84/07/677808407.db2.gz HHFXGQGBYNCRGQ-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038135017 677808411 /nfs/dbraw/zinc/80/84/11/677808411.db2.gz HHFXGQGBYNCRGQ-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO CN(CCCNC(=O)C1CN(C)CC[N@@H+](C)C1)S(C)(=O)=O ZINC000906117223 677808497 /nfs/dbraw/zinc/80/84/97/677808497.db2.gz FQMCFQXXPFHLBK-UHFFFAOYSA-N 1 1 320.459 -1.123 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cn[nH]n1 ZINC001083598458 677809087 /nfs/dbraw/zinc/80/90/87/677809087.db2.gz VTWNHUGJSPJIGV-JLLWLGSASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnn[nH]1 ZINC001083598458 677809107 /nfs/dbraw/zinc/80/91/07/677809107.db2.gz VTWNHUGJSPJIGV-JLLWLGSASA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnn[nH]1 ZINC001083598458 677809111 /nfs/dbraw/zinc/80/91/11/677809111.db2.gz VTWNHUGJSPJIGV-JLLWLGSASA-N 1 1 322.369 -1.504 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](O)C1 ZINC001083605320 677810669 /nfs/dbraw/zinc/81/06/69/677810669.db2.gz RJYHIKDAOJJSDT-WCQGTBRESA-N 1 1 310.354 -1.179 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 ZINC001083604304 677810788 /nfs/dbraw/zinc/81/07/88/677810788.db2.gz QBVCHLMHQTXMIR-FXAINCCUSA-N 1 1 320.349 -1.268 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083613348 677812001 /nfs/dbraw/zinc/81/20/01/677812001.db2.gz QJKXRXXHBRMQNV-ZJUUUORDSA-N 1 1 312.326 -2.507 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001083617987 677812114 /nfs/dbraw/zinc/81/21/14/677812114.db2.gz LQOULRWRYXUSES-UTUOFQBUSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001083617987 677812119 /nfs/dbraw/zinc/81/21/19/677812119.db2.gz LQOULRWRYXUSES-UTUOFQBUSA-N 1 1 302.396 -1.008 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001077430674 677812568 /nfs/dbraw/zinc/81/25/68/677812568.db2.gz USJSCGWAGXCYHN-YNEHKIRRSA-N 1 1 323.397 -1.043 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001077430673 677812580 /nfs/dbraw/zinc/81/25/80/677812580.db2.gz USJSCGWAGXCYHN-JHJVBQTASA-N 1 1 323.397 -1.043 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001083629088 677813138 /nfs/dbraw/zinc/81/31/38/677813138.db2.gz CAYMITMLUOBOFR-UHTWSYAYSA-N 1 1 312.370 -1.315 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001083629087 677813396 /nfs/dbraw/zinc/81/33/96/677813396.db2.gz CAYMITMLUOBOFR-RTXFEEFZSA-N 1 1 312.370 -1.315 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CNC(=O)C1 ZINC001077435855 677814748 /nfs/dbraw/zinc/81/47/48/677814748.db2.gz YLPZGLZSQMKJPL-LALPHHSUSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CNC(=O)C1 ZINC001077435855 677814750 /nfs/dbraw/zinc/81/47/50/677814750.db2.gz YLPZGLZSQMKJPL-LALPHHSUSA-N 1 1 321.381 -1.429 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083644973 677814929 /nfs/dbraw/zinc/81/49/29/677814929.db2.gz DVORAWQDSZBCHQ-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 ZINC001083643365 677815365 /nfs/dbraw/zinc/81/53/65/677815365.db2.gz FJZFMWGBNZGIPQ-PWSUYJOCSA-N 1 1 311.338 -1.195 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](O)C1 ZINC001083643365 677815369 /nfs/dbraw/zinc/81/53/69/677815369.db2.gz FJZFMWGBNZGIPQ-PWSUYJOCSA-N 1 1 311.338 -1.195 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083646362 677815814 /nfs/dbraw/zinc/81/58/14/677815814.db2.gz ZOFZIMZWXTZBIZ-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC2(CS(C)(=O)=O)COC2)C1 ZINC000912260840 677817093 /nfs/dbraw/zinc/81/70/93/677817093.db2.gz VOMKXDLRMDHJAV-CYBMUJFWSA-N 1 1 320.411 -1.237 20 0 DAADMO COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000912358284 677817813 /nfs/dbraw/zinc/81/78/13/677817813.db2.gz OABYSCKGYRBGJZ-NSHDSACASA-N 1 1 315.370 -1.393 20 0 DAADMO COC(OC)C(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000912358284 677817816 /nfs/dbraw/zinc/81/78/16/677817816.db2.gz OABYSCKGYRBGJZ-NSHDSACASA-N 1 1 315.370 -1.393 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)ncc1=O ZINC001083653547 677817828 /nfs/dbraw/zinc/81/78/28/677817828.db2.gz RVXWNNGIGYQABD-LOWVWBTDSA-N 1 1 322.365 -1.408 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654606 677817876 /nfs/dbraw/zinc/81/78/76/677817876.db2.gz WPVFFNVXKUCHDP-DCSOJXMASA-N 1 1 324.381 -2.504 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083662701 677819575 /nfs/dbraw/zinc/81/95/75/677819575.db2.gz GKZHFSAYMITXGL-TUAOUCFPSA-N 1 1 309.370 -1.697 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001083664365 677819975 /nfs/dbraw/zinc/81/99/75/677819975.db2.gz MRFXNRKHFAHUGS-TUAOUCFPSA-N 1 1 323.353 -2.091 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCO1 ZINC000912990348 677821250 /nfs/dbraw/zinc/82/12/50/677821250.db2.gz IHQNHJQDFAZXGX-WDMOLILDSA-N 1 1 314.386 -1.402 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCO1 ZINC000912990347 677821414 /nfs/dbraw/zinc/82/14/14/677821414.db2.gz IHQNHJQDFAZXGX-MISXGVKJSA-N 1 1 314.386 -1.402 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cc2c(=O)[nH]1 ZINC001083670927 677821701 /nfs/dbraw/zinc/82/17/01/677821701.db2.gz SSSVVMMELVUFDT-PWSUYJOCSA-N 1 1 321.337 -1.902 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cc2c(=O)[nH]1 ZINC001083670927 677821703 /nfs/dbraw/zinc/82/17/03/677821703.db2.gz SSSVVMMELVUFDT-PWSUYJOCSA-N 1 1 321.337 -1.902 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1c1ncccn1 ZINC000913178535 677822501 /nfs/dbraw/zinc/82/25/01/677822501.db2.gz HQDXKSFCMJQHRO-SWLSCSKDSA-N 1 1 321.381 -1.088 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030028724 677822981 /nfs/dbraw/zinc/82/29/81/677822981.db2.gz CHTYCNSRBAYWDC-OUAUKWLOSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030028724 677822986 /nfs/dbraw/zinc/82/29/86/677822986.db2.gz CHTYCNSRBAYWDC-OUAUKWLOSA-N 1 1 322.365 -1.349 20 0 DAADMO C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)N1CCSCC1 ZINC000913182450 677823119 /nfs/dbraw/zinc/82/31/19/677823119.db2.gz HOXUMOAPTAAVQU-WCQYABFASA-N 1 1 303.428 -1.109 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c([C@H]2CCOC2)n1 ZINC001083675364 677824646 /nfs/dbraw/zinc/82/46/46/677824646.db2.gz YLAIVKODCUHZCY-UHTWSYAYSA-N 1 1 324.381 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c([C@H]2CCOC2)n1 ZINC001083675364 677824648 /nfs/dbraw/zinc/82/46/48/677824648.db2.gz YLAIVKODCUHZCY-UHTWSYAYSA-N 1 1 324.381 -1.309 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](C)[C@H](CO)C2)Cn2nnnc2N1C ZINC000913543638 677824708 /nfs/dbraw/zinc/82/47/08/677824708.db2.gz MWQVHAPHIUWDDL-JTQLQIEISA-N 1 1 307.358 -1.468 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)Cn2nnnc2N1C ZINC000913543638 677824710 /nfs/dbraw/zinc/82/47/10/677824710.db2.gz MWQVHAPHIUWDDL-JTQLQIEISA-N 1 1 307.358 -1.468 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C(=O)C1=O ZINC000913552026 677825380 /nfs/dbraw/zinc/82/53/80/677825380.db2.gz DFZBMKFADVGOOD-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C(=O)C1=O ZINC000913552026 677825384 /nfs/dbraw/zinc/82/53/84/677825384.db2.gz DFZBMKFADVGOOD-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1COCCN1CC(F)F ZINC001077448766 677826695 /nfs/dbraw/zinc/82/66/95/677826695.db2.gz GNUBKJTZXOIRBF-GMTAPVOTSA-N 1 1 323.340 -1.894 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1COCCN1CC(F)F ZINC001077448766 677826697 /nfs/dbraw/zinc/82/66/97/677826697.db2.gz GNUBKJTZXOIRBF-GMTAPVOTSA-N 1 1 323.340 -1.894 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1COCCN1CC(F)F ZINC001077448767 677826772 /nfs/dbraw/zinc/82/67/72/677826772.db2.gz GNUBKJTZXOIRBF-OUAUKWLOSA-N 1 1 323.340 -1.894 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1COCCN1CC(F)F ZINC001077448767 677826774 /nfs/dbraw/zinc/82/67/74/677826774.db2.gz GNUBKJTZXOIRBF-OUAUKWLOSA-N 1 1 323.340 -1.894 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270976 677827128 /nfs/dbraw/zinc/82/71/28/677827128.db2.gz DPCHPKQOQNIUON-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270976 677827131 /nfs/dbraw/zinc/82/71/31/677827131.db2.gz DPCHPKQOQNIUON-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c([C@@H]2CCOC2)n1 ZINC001077457682 677830090 /nfs/dbraw/zinc/83/00/90/677830090.db2.gz YLAIVKODCUHZCY-RAIGVLPGSA-N 1 1 324.381 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c([C@@H]2CCOC2)n1 ZINC001077457682 677830094 /nfs/dbraw/zinc/83/00/94/677830094.db2.gz YLAIVKODCUHZCY-RAIGVLPGSA-N 1 1 324.381 -1.309 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3cnon3)C2)C1 ZINC001040668440 677831024 /nfs/dbraw/zinc/83/10/24/677831024.db2.gz LGWQDBJNMWSYHD-YGRLFVJLSA-N 1 1 323.353 -1.286 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077484328 677831313 /nfs/dbraw/zinc/83/13/13/677831313.db2.gz VYACMFUVVYSHOR-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077484328 677831315 /nfs/dbraw/zinc/83/13/15/677831315.db2.gz VYACMFUVVYSHOR-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008225 677831927 /nfs/dbraw/zinc/83/19/27/677831927.db2.gz PBVRFEOBUFMEGJ-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC001046008225 677831930 /nfs/dbraw/zinc/83/19/30/677831930.db2.gz PBVRFEOBUFMEGJ-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008224 677832007 /nfs/dbraw/zinc/83/20/07/677832007.db2.gz PBVRFEOBUFMEGJ-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001046008224 677832011 /nfs/dbraw/zinc/83/20/11/677832011.db2.gz PBVRFEOBUFMEGJ-OLZOCXBDSA-N 1 1 310.398 -1.273 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c1C ZINC001077487949 677832274 /nfs/dbraw/zinc/83/22/74/677832274.db2.gz SXETTWQPNVIQDD-XXILOJSOSA-N 1 1 324.381 -1.447 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001077492392 677832298 /nfs/dbraw/zinc/83/22/98/677832298.db2.gz HFTQGQCSGCWMDS-YUSALJHKSA-N 1 1 305.338 -1.115 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001077498801 677833280 /nfs/dbraw/zinc/83/32/80/677833280.db2.gz QTHFJCUTZXVSCX-NXEZZACHSA-N 1 1 312.326 -2.357 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507993 677834370 /nfs/dbraw/zinc/83/43/70/677834370.db2.gz GXHGMUXJLNWWBE-QJPTWQEYSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077508272 677834774 /nfs/dbraw/zinc/83/47/74/677834774.db2.gz SFZHTQCXLAVEDZ-GHMZBOCLSA-N 1 1 300.359 -3.038 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508015 677834823 /nfs/dbraw/zinc/83/48/23/677834823.db2.gz HUNSDYFFVYKFTD-QJPTWQEYSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512751 677835082 /nfs/dbraw/zinc/83/50/82/677835082.db2.gz NNGKZDXXVGABAE-QJPTWQEYSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512751 677835084 /nfs/dbraw/zinc/83/50/84/677835084.db2.gz NNGKZDXXVGABAE-QJPTWQEYSA-N 1 1 324.381 -2.094 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001083685737 677835192 /nfs/dbraw/zinc/83/51/92/677835192.db2.gz JHVJSUTXBFIZBQ-BDAKNGLRSA-N 1 1 306.330 -1.511 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001077512945 677835660 /nfs/dbraw/zinc/83/56/60/677835660.db2.gz UEMVWQQNLGWXGF-YNEHKIRRSA-N 1 1 321.381 -1.740 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083691818 677837077 /nfs/dbraw/zinc/83/70/77/677837077.db2.gz ISUSCSOSLNRZEK-NEPJUHHUSA-N 1 1 319.369 -1.136 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083691818 677837081 /nfs/dbraw/zinc/83/70/81/677837081.db2.gz ISUSCSOSLNRZEK-NEPJUHHUSA-N 1 1 319.369 -1.136 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697103 677838016 /nfs/dbraw/zinc/83/80/16/677838016.db2.gz GXHGMUXJLNWWBE-TUAOUCFPSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698180 677838913 /nfs/dbraw/zinc/83/89/13/677838913.db2.gz AKTJQGBUDWLDOI-TUAOUCFPSA-N 1 1 307.354 -1.820 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCNC3=O)[C@@H](O)C2)cn1 ZINC001083698728 677838922 /nfs/dbraw/zinc/83/89/22/677838922.db2.gz UEMVWQQNLGWXGF-XQQFMLRXSA-N 1 1 321.381 -1.740 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698741 677838930 /nfs/dbraw/zinc/83/89/30/677838930.db2.gz UWBCDNGAVHOUKO-TUAOUCFPSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698741 677838931 /nfs/dbraw/zinc/83/89/31/677838931.db2.gz UWBCDNGAVHOUKO-TUAOUCFPSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698181 677838989 /nfs/dbraw/zinc/83/89/89/677838989.db2.gz AKTJQGBUDWLDOI-UTUOFQBUSA-N 1 1 307.354 -1.820 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083701854 677840242 /nfs/dbraw/zinc/84/02/42/677840242.db2.gz CXNRANJTAWDGJF-KKOKHZNYSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083701854 677840244 /nfs/dbraw/zinc/84/02/44/677840244.db2.gz CXNRANJTAWDGJF-KKOKHZNYSA-N 1 1 309.366 -1.047 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)NC1=O ZINC001083700683 677840310 /nfs/dbraw/zinc/84/03/10/677840310.db2.gz UDPACQIQNKEGOJ-MXWKQRLJSA-N 1 1 323.357 -2.537 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)NC1=O ZINC001083700683 677840313 /nfs/dbraw/zinc/84/03/13/677840313.db2.gz UDPACQIQNKEGOJ-MXWKQRLJSA-N 1 1 323.357 -2.537 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083704842 677840480 /nfs/dbraw/zinc/84/04/80/677840480.db2.gz HSRXACBMSRONLJ-YFKTTZPYSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083706101 677841245 /nfs/dbraw/zinc/84/12/45/677841245.db2.gz KXUQCOYOQWPXNC-AXFHLTTASA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)n1 ZINC001083706029 677841307 /nfs/dbraw/zinc/84/13/07/677841307.db2.gz HXEAZSSZSWVVLV-NEPJUHHUSA-N 1 1 324.385 -1.198 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077523057 677842036 /nfs/dbraw/zinc/84/20/36/677842036.db2.gz XMTOGSVHYSCRNK-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077523057 677842037 /nfs/dbraw/zinc/84/20/37/677842037.db2.gz XMTOGSVHYSCRNK-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)n1 ZINC001083706513 677842307 /nfs/dbraw/zinc/84/23/07/677842307.db2.gz CQLIOIHPOFCXIC-MNOVXSKESA-N 1 1 310.358 -1.588 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040741257 677842380 /nfs/dbraw/zinc/84/23/80/677842380.db2.gz MQPQBHCCFZEFSS-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040747730 677843337 /nfs/dbraw/zinc/84/33/37/677843337.db2.gz UZUMXVRITSEFSE-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001077526248 677843513 /nfs/dbraw/zinc/84/35/13/677843513.db2.gz BSAIEKDQVRDHNL-NXEZZACHSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001077526248 677843515 /nfs/dbraw/zinc/84/35/15/677843515.db2.gz BSAIEKDQVRDHNL-NXEZZACHSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077526585 677843841 /nfs/dbraw/zinc/84/38/41/677843841.db2.gz QNROQJWRGQIHSL-QJPTWQEYSA-N 1 1 324.385 -1.198 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1=O ZINC001083711473 677844611 /nfs/dbraw/zinc/84/46/11/677844611.db2.gz KQHWFCOIMUCAED-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1=O ZINC001083711473 677844614 /nfs/dbraw/zinc/84/46/14/677844614.db2.gz KQHWFCOIMUCAED-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083719495 677847198 /nfs/dbraw/zinc/84/71/98/677847198.db2.gz GPFAPVIWUSEEMO-XQQFMLRXSA-N 1 1 312.414 -1.245 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083720269 677847242 /nfs/dbraw/zinc/84/72/42/677847242.db2.gz UAAWXLAXDBOWQW-NEPJUHHUSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083720269 677847245 /nfs/dbraw/zinc/84/72/45/677847245.db2.gz UAAWXLAXDBOWQW-NEPJUHHUSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083720876 677847268 /nfs/dbraw/zinc/84/72/68/677847268.db2.gz YEWPYYOJLMAZRC-NEPJUHHUSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083720876 677847270 /nfs/dbraw/zinc/84/72/70/677847270.db2.gz YEWPYYOJLMAZRC-NEPJUHHUSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077537704 677849936 /nfs/dbraw/zinc/84/99/36/677849936.db2.gz FHWBFUAPJDTCPC-MLGHIDQZSA-N 1 1 324.381 -1.935 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077537704 677849937 /nfs/dbraw/zinc/84/99/37/677849937.db2.gz FHWBFUAPJDTCPC-MLGHIDQZSA-N 1 1 324.381 -1.935 20 0 DAADMO Cn1ncc2c1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083729438 677850176 /nfs/dbraw/zinc/85/01/76/677850176.db2.gz UXTHPBYZPPGFRV-SUHUHFCYSA-N 1 1 308.382 -1.321 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083730888 677850388 /nfs/dbraw/zinc/85/03/88/677850388.db2.gz WDMBDRHHMNPVBN-XWIASGKRSA-N 1 1 309.370 -1.926 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083731489 677850662 /nfs/dbraw/zinc/85/06/62/677850662.db2.gz BCXAJFVGUAVEOA-ZJUUUORDSA-N 1 1 306.326 -1.870 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083731489 677850664 /nfs/dbraw/zinc/85/06/64/677850664.db2.gz BCXAJFVGUAVEOA-ZJUUUORDSA-N 1 1 306.326 -1.870 20 0 DAADMO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083730198 677850677 /nfs/dbraw/zinc/85/06/77/677850677.db2.gz RLHYOYRFJPASJN-HONMWMINSA-N 1 1 308.382 -1.006 20 0 DAADMO Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083730198 677850679 /nfs/dbraw/zinc/85/06/79/677850679.db2.gz RLHYOYRFJPASJN-HONMWMINSA-N 1 1 308.382 -1.006 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCCc2nn[nH]c21 ZINC001083734476 677851087 /nfs/dbraw/zinc/85/10/87/677851087.db2.gz HIRGBYIQKNFJGF-JLLWLGSASA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001083734476 677851088 /nfs/dbraw/zinc/85/10/88/677851088.db2.gz HIRGBYIQKNFJGF-JLLWLGSASA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCCc2n[nH]nc21 ZINC001083734476 677851091 /nfs/dbraw/zinc/85/10/91/677851091.db2.gz HIRGBYIQKNFJGF-JLLWLGSASA-N 1 1 309.370 -1.232 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077542119 677851277 /nfs/dbraw/zinc/85/12/77/677851277.db2.gz KRKAZYYFLPIXSZ-PSASIEDQSA-N 1 1 324.366 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077542119 677851279 /nfs/dbraw/zinc/85/12/79/677851279.db2.gz KRKAZYYFLPIXSZ-PSASIEDQSA-N 1 1 324.366 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734568 677851465 /nfs/dbraw/zinc/85/14/65/677851465.db2.gz LHQKIWUCZRSGDD-RTXFEEFZSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083735183 677851816 /nfs/dbraw/zinc/85/18/16/677851816.db2.gz PDRCHBJIAPDWEZ-OLZOCXBDSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740815 677852352 /nfs/dbraw/zinc/85/23/52/677852352.db2.gz PIVSCWVMLFNPLZ-AEJSXWLSSA-N 1 1 309.330 -2.879 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740815 677852353 /nfs/dbraw/zinc/85/23/53/677852353.db2.gz PIVSCWVMLFNPLZ-AEJSXWLSSA-N 1 1 309.330 -2.879 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740569 677852565 /nfs/dbraw/zinc/85/25/65/677852565.db2.gz HQXCTEVPERQJPM-TUAOUCFPSA-N 1 1 322.369 -2.195 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741386 677853035 /nfs/dbraw/zinc/85/30/35/677853035.db2.gz GNTBGCIZGIKRGN-RTXFEEFZSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741386 677853038 /nfs/dbraw/zinc/85/30/38/677853038.db2.gz GNTBGCIZGIKRGN-RTXFEEFZSA-N 1 1 319.365 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083744008 677854390 /nfs/dbraw/zinc/85/43/90/677854390.db2.gz RORICAWQOMRDDM-XQQFMLRXSA-N 1 1 307.350 -1.763 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083744008 677854393 /nfs/dbraw/zinc/85/43/93/677854393.db2.gz RORICAWQOMRDDM-XQQFMLRXSA-N 1 1 307.350 -1.763 20 0 DAADMO Cn1nnc2cc(C[N@H+]3C[C@@H](NC(=O)C(N)=O)[C@@H](O)C3)ccc21 ZINC001083744122 677854399 /nfs/dbraw/zinc/85/43/99/677854399.db2.gz XWZRWNSRZQKXQS-PWSUYJOCSA-N 1 1 318.337 -1.885 20 0 DAADMO Cn1nnc2cc(C[N@@H+]3C[C@@H](NC(=O)C(N)=O)[C@@H](O)C3)ccc21 ZINC001083744122 677854403 /nfs/dbraw/zinc/85/44/03/677854403.db2.gz XWZRWNSRZQKXQS-PWSUYJOCSA-N 1 1 318.337 -1.885 20 0 DAADMO COc1ccc(CC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744802 677855059 /nfs/dbraw/zinc/85/50/59/677855059.db2.gz DDHUUDVMBNCIFW-OLZOCXBDSA-N 1 1 307.350 -1.116 20 0 DAADMO COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744802 677855061 /nfs/dbraw/zinc/85/50/61/677855061.db2.gz DDHUUDVMBNCIFW-OLZOCXBDSA-N 1 1 307.350 -1.116 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)[nH]c1=O ZINC001083752577 677856614 /nfs/dbraw/zinc/85/66/14/677856614.db2.gz BWSNWQGEAIPPOB-FOGDFJRCSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)=NC1=O ZINC001083752577 677856616 /nfs/dbraw/zinc/85/66/16/677856616.db2.gz BWSNWQGEAIPPOB-FOGDFJRCSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)=NC1=O ZINC001083752577 677856618 /nfs/dbraw/zinc/85/66/18/677856618.db2.gz BWSNWQGEAIPPOB-FOGDFJRCSA-N 1 1 310.354 -1.063 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CCC(=O)N1 ZINC001083758224 677857461 /nfs/dbraw/zinc/85/74/61/677857461.db2.gz QFOAEXKMTMBMSP-XUJVJEKNSA-N 1 1 321.381 -1.287 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CCC(=O)N1 ZINC001083758224 677857463 /nfs/dbraw/zinc/85/74/63/677857463.db2.gz QFOAEXKMTMBMSP-XUJVJEKNSA-N 1 1 321.381 -1.287 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001077557053 677857979 /nfs/dbraw/zinc/85/79/79/677857979.db2.gz UAMCVDQSSBDKGO-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001077557053 677857982 /nfs/dbraw/zinc/85/79/82/677857982.db2.gz UAMCVDQSSBDKGO-FRRDWIJNSA-N 1 1 322.365 -1.001 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001047272283 677858558 /nfs/dbraw/zinc/85/85/58/677858558.db2.gz XXARCGNSIVTWTA-RYUDHWBXSA-N 1 1 305.400 -1.455 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001047272283 677858561 /nfs/dbraw/zinc/85/85/61/677858561.db2.gz XXARCGNSIVTWTA-RYUDHWBXSA-N 1 1 305.400 -1.455 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077566789 677858933 /nfs/dbraw/zinc/85/89/33/677858933.db2.gz OABPFVMFFPNTTK-UTUOFQBUSA-N 1 1 314.386 -2.258 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077566789 677858938 /nfs/dbraw/zinc/85/89/38/677858938.db2.gz OABPFVMFFPNTTK-UTUOFQBUSA-N 1 1 314.386 -2.258 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296045 677859326 /nfs/dbraw/zinc/85/93/26/677859326.db2.gz UYXUQQXAKSOKCL-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001077567436 677859793 /nfs/dbraw/zinc/85/97/93/677859793.db2.gz GAWHDFQYJWUFNX-WZRBSPASSA-N 1 1 313.333 -1.432 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001077567436 677859796 /nfs/dbraw/zinc/85/97/96/677859796.db2.gz GAWHDFQYJWUFNX-WZRBSPASSA-N 1 1 313.333 -1.432 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040902392 677859889 /nfs/dbraw/zinc/85/98/89/677859889.db2.gz RRKGBXQYGWIZRM-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077571610 677860183 /nfs/dbraw/zinc/86/01/83/677860183.db2.gz RLHYOYRFJPASJN-ZLKJLUDKSA-N 1 1 308.382 -1.006 20 0 DAADMO Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077571610 677860185 /nfs/dbraw/zinc/86/01/85/677860185.db2.gz RLHYOYRFJPASJN-ZLKJLUDKSA-N 1 1 308.382 -1.006 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1C ZINC001077571256 677860209 /nfs/dbraw/zinc/86/02/09/677860209.db2.gz JXIGLJXUMXPDBE-DGCLKSJQSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1C ZINC001077571256 677860210 /nfs/dbraw/zinc/86/02/10/677860210.db2.gz JXIGLJXUMXPDBE-DGCLKSJQSA-N 1 1 319.369 -1.205 20 0 DAADMO Cn1ncc2c1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077572932 677860222 /nfs/dbraw/zinc/86/02/22/677860222.db2.gz UXTHPBYZPPGFRV-MPKXVKKWSA-N 1 1 308.382 -1.321 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077575037 677860817 /nfs/dbraw/zinc/86/08/17/677860817.db2.gz DUSAONHIBDWFFA-GHMZBOCLSA-N 1 1 311.338 -1.271 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077575037 677860820 /nfs/dbraw/zinc/86/08/20/677860820.db2.gz DUSAONHIBDWFFA-GHMZBOCLSA-N 1 1 311.338 -1.271 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001077576530 677861987 /nfs/dbraw/zinc/86/19/87/677861987.db2.gz RKMQDOCHIWWAIZ-NXEZZACHSA-N 1 1 307.310 -1.569 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001077576530 677861990 /nfs/dbraw/zinc/86/19/90/677861990.db2.gz RKMQDOCHIWWAIZ-NXEZZACHSA-N 1 1 307.310 -1.569 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001083778525 677862389 /nfs/dbraw/zinc/86/23/89/677862389.db2.gz PIAVAAOLJUAHML-BNOWGMLFSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083778438 677862491 /nfs/dbraw/zinc/86/24/91/677862491.db2.gz MUQIVSHCBRVNOH-MJBXVCDLSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001083778757 677862516 /nfs/dbraw/zinc/86/25/16/677862516.db2.gz WZZCSFSUSDEWMA-TUAOUCFPSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001083778496 677862608 /nfs/dbraw/zinc/86/26/08/677862608.db2.gz OIIRUYISXPUASJ-XQQFMLRXSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083778118 677862877 /nfs/dbraw/zinc/86/28/77/677862877.db2.gz BLMCMQSPKIWUQD-BNOWGMLFSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001083778864 677862912 /nfs/dbraw/zinc/86/29/12/677862912.db2.gz ZZYDQXJCFAWMLM-YUTCNCBUSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@@H]2O)C1 ZINC001083780649 677863270 /nfs/dbraw/zinc/86/32/70/677863270.db2.gz FRRDSEWTBMKIJO-TUAOUCFPSA-N 1 1 323.401 -1.787 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)C1 ZINC001083781189 677863354 /nfs/dbraw/zinc/86/33/54/677863354.db2.gz XNEGUXLHRIRYJS-XQQFMLRXSA-N 1 1 322.413 -1.182 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001047530099 677863777 /nfs/dbraw/zinc/86/37/77/677863777.db2.gz NESZXMQDGAEJRL-VOAKCMCISA-N 1 1 313.398 -1.139 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083781583 677863870 /nfs/dbraw/zinc/86/38/70/677863870.db2.gz NMGRYKYCFASFKR-MJBXVCDLSA-N 1 1 322.413 -1.219 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001047561448 677864359 /nfs/dbraw/zinc/86/43/59/677864359.db2.gz KVKLQGZFXAIBPA-GARJFASQSA-N 1 1 305.400 -1.456 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001047631393 677865329 /nfs/dbraw/zinc/86/53/29/677865329.db2.gz ONRKTNLPXQDQAI-SRVKXCTJSA-N 1 1 319.427 -1.162 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586215 677865549 /nfs/dbraw/zinc/86/55/49/677865549.db2.gz LYTLPZNAXRMEIM-GHMZBOCLSA-N 1 1 319.325 -2.164 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586215 677865554 /nfs/dbraw/zinc/86/55/54/677865554.db2.gz LYTLPZNAXRMEIM-GHMZBOCLSA-N 1 1 319.325 -2.164 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783194 677865777 /nfs/dbraw/zinc/86/57/77/677865777.db2.gz FGPJPDJIIXQODQ-XQHKEYJVSA-N 1 1 321.381 -1.755 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083784188 677866440 /nfs/dbraw/zinc/86/64/40/677866440.db2.gz HFTPOHRTIHIDGX-XQHKEYJVSA-N 1 1 321.381 -1.489 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083784188 677866442 /nfs/dbraw/zinc/86/64/42/677866442.db2.gz HFTPOHRTIHIDGX-XQHKEYJVSA-N 1 1 321.381 -1.489 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598873 677866505 /nfs/dbraw/zinc/86/65/05/677866505.db2.gz GNTBGCIZGIKRGN-CYZMBNFOSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598873 677866508 /nfs/dbraw/zinc/86/65/08/677866508.db2.gz GNTBGCIZGIKRGN-CYZMBNFOSA-N 1 1 319.365 -1.267 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077598965 677867138 /nfs/dbraw/zinc/86/71/38/677867138.db2.gz JJWZSPJJBPVMLR-OPRDCNLKSA-N 1 1 318.324 -1.126 20 0 DAADMO CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603861 677867677 /nfs/dbraw/zinc/86/76/77/677867677.db2.gz NLLSAQWGQUPKTP-DGCLKSJQSA-N 1 1 306.366 -1.101 20 0 DAADMO CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077603861 677867680 /nfs/dbraw/zinc/86/76/80/677867680.db2.gz NLLSAQWGQUPKTP-DGCLKSJQSA-N 1 1 306.366 -1.101 20 0 DAADMO CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077603714 677867883 /nfs/dbraw/zinc/86/78/83/677867883.db2.gz GKERAEBCIJUBQB-CHWSQXEVSA-N 1 1 306.366 -1.101 20 0 DAADMO CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)c1 ZINC001077603714 677867886 /nfs/dbraw/zinc/86/78/86/677867886.db2.gz GKERAEBCIJUBQB-CHWSQXEVSA-N 1 1 306.366 -1.101 20 0 DAADMO COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077603951 677868232 /nfs/dbraw/zinc/86/82/32/677868232.db2.gz RVNPHXZUODSNIC-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077603951 677868234 /nfs/dbraw/zinc/86/82/34/677868234.db2.gz RVNPHXZUODSNIC-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077606113 677868308 /nfs/dbraw/zinc/86/83/08/677868308.db2.gz UNVWHPCYEGRULU-MGPQQGTHSA-N 1 1 321.377 -1.071 20 0 DAADMO CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077606113 677868310 /nfs/dbraw/zinc/86/83/10/677868310.db2.gz UNVWHPCYEGRULU-MGPQQGTHSA-N 1 1 321.377 -1.071 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077606199 677868489 /nfs/dbraw/zinc/86/84/89/677868489.db2.gz YZTGCNOLSZNKJQ-IVZWLZJFSA-N 1 1 314.342 -3.384 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001077606199 677868492 /nfs/dbraw/zinc/86/84/92/677868492.db2.gz YZTGCNOLSZNKJQ-IVZWLZJFSA-N 1 1 314.342 -3.384 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077607218 677868752 /nfs/dbraw/zinc/86/87/52/677868752.db2.gz XKTWRGHIERLHRY-HTQZYQBOSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077607218 677868757 /nfs/dbraw/zinc/86/87/57/677868757.db2.gz XKTWRGHIERLHRY-HTQZYQBOSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077609093 677869176 /nfs/dbraw/zinc/86/91/76/677869176.db2.gz NSCPDNYOEAVPAE-VXGBXAGGSA-N 1 1 311.313 -1.149 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077609093 677869179 /nfs/dbraw/zinc/86/91/79/677869179.db2.gz NSCPDNYOEAVPAE-VXGBXAGGSA-N 1 1 311.313 -1.149 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)NC(=O)C(N)=O ZINC001077620131 677869462 /nfs/dbraw/zinc/86/94/62/677869462.db2.gz WNJYOIBIPSHZAN-PAPNWUEJSA-N 1 1 324.381 -1.654 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001047653796 677870037 /nfs/dbraw/zinc/87/00/37/677870037.db2.gz MHXGOABUYUKLIL-XUXIUFHCSA-N 1 1 315.414 -1.409 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)C1 ZINC001077679386 677872678 /nfs/dbraw/zinc/87/26/78/677872678.db2.gz QBPIWGCTLYFYEQ-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001077675644 677872712 /nfs/dbraw/zinc/87/27/12/677872712.db2.gz UQEJBXZVAXQPLM-MGPQQGTHSA-N 1 1 322.413 -1.076 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)C1 ZINC001077679277 677872816 /nfs/dbraw/zinc/87/28/16/677872816.db2.gz MOHDIEFXMRPIJC-IJLUTSLNSA-N 1 1 323.401 -1.787 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001077676886 677872829 /nfs/dbraw/zinc/87/28/29/677872829.db2.gz OIIRUYISXPUASJ-YNEHKIRRSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)C1 ZINC001077679069 677872984 /nfs/dbraw/zinc/87/29/84/677872984.db2.gz GGLXFLPKEWRICH-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)O1 ZINC001077668890 677873046 /nfs/dbraw/zinc/87/30/46/677873046.db2.gz XXZKJZALQBIYRU-FVCCEPFGSA-N 1 1 311.382 -1.019 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668901 677873246 /nfs/dbraw/zinc/87/32/46/677873246.db2.gz YSKVSGJRVGNLSA-CHWFTXMASA-N 1 1 301.343 -2.173 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668901 677873248 /nfs/dbraw/zinc/87/32/48/677873248.db2.gz YSKVSGJRVGNLSA-CHWFTXMASA-N 1 1 301.343 -2.173 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 ZINC001077686250 677873736 /nfs/dbraw/zinc/87/37/36/677873736.db2.gz DISOTZPGNAILKV-YVECIDJPSA-N 1 1 321.381 -1.755 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001077689394 677874299 /nfs/dbraw/zinc/87/42/99/677874299.db2.gz KHOFZVKSDBODNH-ZWKOPEQDSA-N 1 1 322.365 -1.075 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077690128 677874418 /nfs/dbraw/zinc/87/44/18/677874418.db2.gz YAIBKCSOAADQDF-GHMZBOCLSA-N 1 1 311.338 -1.047 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077686575 677874427 /nfs/dbraw/zinc/87/44/27/677874427.db2.gz WWVBAKOMFFIOOS-WRWGMCAJSA-N 1 1 324.406 -1.032 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077686575 677874429 /nfs/dbraw/zinc/87/44/29/677874429.db2.gz WWVBAKOMFFIOOS-WRWGMCAJSA-N 1 1 324.406 -1.032 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001077689393 677874444 /nfs/dbraw/zinc/87/44/44/677874444.db2.gz KHOFZVKSDBODNH-OASPWFOLSA-N 1 1 322.365 -1.075 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077689856 677874472 /nfs/dbraw/zinc/87/44/72/677874472.db2.gz IWYNTARBLRUSKY-TZMCWYRMSA-N 1 1 323.397 -1.299 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 ZINC001077687265 677874477 /nfs/dbraw/zinc/87/44/77/677874477.db2.gz HQFFSZLWMJRLKO-TZMCWYRMSA-N 1 1 323.397 -1.035 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077707320 677875634 /nfs/dbraw/zinc/87/56/34/677875634.db2.gz AAUPFRIVEJTBRG-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754535 677878966 /nfs/dbraw/zinc/87/89/66/677878966.db2.gz GBGRZXZFYWRRHE-HBNTYKKESA-N 1 1 312.370 -1.208 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001077765694 677879694 /nfs/dbraw/zinc/87/96/94/677879694.db2.gz ZDRCHGZSEFFELX-GHMZBOCLSA-N 1 1 310.354 -1.731 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001077772105 677880739 /nfs/dbraw/zinc/88/07/39/677880739.db2.gz LTKMEZUDYXMPEE-MWLCHTKSSA-N 1 1 306.326 -1.928 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001077771748 677880905 /nfs/dbraw/zinc/88/09/05/677880905.db2.gz CCGVWNXMFBBLCQ-VXGBXAGGSA-N 1 1 324.381 -1.341 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)ncc1C(N)=O ZINC001083792340 677883240 /nfs/dbraw/zinc/88/32/40/677883240.db2.gz KERSNJZKDRPTEP-BIMULSAOSA-N 1 1 322.365 -1.355 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083791439 677883284 /nfs/dbraw/zinc/88/32/84/677883284.db2.gz MOWFUAKWWSNCPN-KKOKHZNYSA-N 1 1 324.381 -1.254 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083791439 677883288 /nfs/dbraw/zinc/88/32/88/677883288.db2.gz MOWFUAKWWSNCPN-KKOKHZNYSA-N 1 1 324.381 -1.254 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040448234 677883315 /nfs/dbraw/zinc/88/33/15/677883315.db2.gz XUYGNMDXMARRSS-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040448192 677883415 /nfs/dbraw/zinc/88/34/15/677883415.db2.gz XNRLNRFEVPCZAO-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)S1(=O)=O ZINC001077821108 677884802 /nfs/dbraw/zinc/88/48/02/677884802.db2.gz ZLQUNNRVSTYETD-MXWKQRLJSA-N 1 1 323.390 -1.459 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)S1(=O)=O ZINC001077821108 677884806 /nfs/dbraw/zinc/88/48/06/677884806.db2.gz ZLQUNNRVSTYETD-MXWKQRLJSA-N 1 1 323.390 -1.459 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)S1(=O)=O ZINC001077821107 677884837 /nfs/dbraw/zinc/88/48/37/677884837.db2.gz ZLQUNNRVSTYETD-GMTAPVOTSA-N 1 1 323.390 -1.459 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)S1(=O)=O ZINC001077821107 677884842 /nfs/dbraw/zinc/88/48/42/677884842.db2.gz ZLQUNNRVSTYETD-GMTAPVOTSA-N 1 1 323.390 -1.459 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001077824164 677885600 /nfs/dbraw/zinc/88/56/00/677885600.db2.gz OYYQDXVNRLILPD-OVAVYLEHSA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679291 677885960 /nfs/dbraw/zinc/88/59/60/677885960.db2.gz QQYNSVQOXZENPZ-KOLCDFICSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679285 677885995 /nfs/dbraw/zinc/88/59/95/677885995.db2.gz QQYNSVQOXZENPZ-GXSJLCMTSA-N 1 1 309.370 -1.521 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679275 677886222 /nfs/dbraw/zinc/88/62/22/677886222.db2.gz NLRPADBCECEHJA-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2nncn2c1 ZINC001077828889 677886605 /nfs/dbraw/zinc/88/66/05/677886605.db2.gz HMDJWYKHHWSXKV-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(-n2ccnc2)nn1 ZINC001077830130 677886745 /nfs/dbraw/zinc/88/67/45/677886745.db2.gz KIUGEHBCNPCKFX-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(-n2ccnc2)nn1 ZINC001077830130 677886749 /nfs/dbraw/zinc/88/67/49/677886749.db2.gz KIUGEHBCNPCKFX-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001077830428 677886774 /nfs/dbraw/zinc/88/67/74/677886774.db2.gz QEUHZSCGJRFVFZ-YUSALJHKSA-N 1 1 305.338 -1.115 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999223483 677888159 /nfs/dbraw/zinc/88/81/59/677888159.db2.gz LLVWOMOEHWUMRV-NHNAUAITSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001032663355 677888208 /nfs/dbraw/zinc/88/82/08/677888208.db2.gz INLZHWKNEYADGQ-UTLUCORTSA-N 1 1 324.337 -1.927 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999239387 677888647 /nfs/dbraw/zinc/88/86/47/677888647.db2.gz IFNPDPJZGOMYLP-ILDUYXDCSA-N 1 1 321.385 -1.090 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083794552 677888717 /nfs/dbraw/zinc/88/87/17/677888717.db2.gz AAUPFRIVEJTBRG-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001032677036 677888805 /nfs/dbraw/zinc/88/88/05/677888805.db2.gz ONWXPQPSYLBRKP-SDDRHHMPSA-N 1 1 317.411 -1.048 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001032677036 677888811 /nfs/dbraw/zinc/88/88/11/677888811.db2.gz ONWXPQPSYLBRKP-SDDRHHMPSA-N 1 1 317.411 -1.048 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000999345469 677889793 /nfs/dbraw/zinc/88/97/93/677889793.db2.gz XUKYRCJOTOJPGO-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)C1CC([NH2+]Cc2cnon2)C1 ZINC000999561291 677890112 /nfs/dbraw/zinc/89/01/12/677890112.db2.gz LPZLIFNKPJOFIK-UHFFFAOYSA-N 1 1 322.325 -1.300 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)[C@@H](O)C1 ZINC001083794948 677890376 /nfs/dbraw/zinc/89/03/76/677890376.db2.gz WSXSTWXOIKTCAN-NEPJUHHUSA-N 1 1 324.381 -1.228 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000999890177 677892290 /nfs/dbraw/zinc/89/22/90/677892290.db2.gz LGRXQEGIIYUODU-QWRGUYRKSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000999891533 677892338 /nfs/dbraw/zinc/89/23/38/677892338.db2.gz MMYXJFYEKQARKD-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000999895486 677892451 /nfs/dbraw/zinc/89/24/51/677892451.db2.gz CPJZLQOCXYRLGG-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1nnc[nH]1 ZINC001077861404 677892891 /nfs/dbraw/zinc/89/28/91/677892891.db2.gz FVVNVZOZNQJAGM-HBNTYKKESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ncn[nH]1 ZINC001077861404 677892895 /nfs/dbraw/zinc/89/28/95/677892895.db2.gz FVVNVZOZNQJAGM-HBNTYKKESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1ncn[nH]1 ZINC001077861404 677892897 /nfs/dbraw/zinc/89/28/97/677892897.db2.gz FVVNVZOZNQJAGM-HBNTYKKESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077861404 677892901 /nfs/dbraw/zinc/89/29/01/677892901.db2.gz FVVNVZOZNQJAGM-HBNTYKKESA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1nc[nH]n1 ZINC001077861404 677892905 /nfs/dbraw/zinc/89/29/05/677892905.db2.gz FVVNVZOZNQJAGM-HBNTYKKESA-N 1 1 322.369 -1.504 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000999861564 677892957 /nfs/dbraw/zinc/89/29/57/677892957.db2.gz AASMVZPKSDHLJV-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC000999861558 677893457 /nfs/dbraw/zinc/89/34/57/677893457.db2.gz AASMVZPKSDHLJV-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867268 677893654 /nfs/dbraw/zinc/89/36/54/677893654.db2.gz IKRITLUGFHJMOK-HBNTYKKESA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867268 677893657 /nfs/dbraw/zinc/89/36/57/677893657.db2.gz IKRITLUGFHJMOK-HBNTYKKESA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077852927 677893761 /nfs/dbraw/zinc/89/37/61/677893761.db2.gz AYQQRUFLYUOOTC-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853021 677893746 /nfs/dbraw/zinc/89/37/46/677893746.db2.gz GJCQJUNPLQGLPV-IWSPIJDZSA-N 1 1 300.315 -2.920 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853020 677894015 /nfs/dbraw/zinc/89/40/15/677894015.db2.gz GJCQJUNPLQGLPV-DJLDLDEBSA-N 1 1 300.315 -2.920 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ncccn1 ZINC001077874110 677895302 /nfs/dbraw/zinc/89/53/02/677895302.db2.gz PFUWYYUMQYIPMS-VXGBXAGGSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ncccn1 ZINC001077874110 677895307 /nfs/dbraw/zinc/89/53/07/677895307.db2.gz PFUWYYUMQYIPMS-VXGBXAGGSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077879578 677896447 /nfs/dbraw/zinc/89/64/47/677896447.db2.gz MQBRICYTYMNBDA-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001077895986 677897116 /nfs/dbraw/zinc/89/71/16/677897116.db2.gz IQNBUPWWMHXRGH-CHWSQXEVSA-N 1 1 324.381 -1.332 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cccnn1 ZINC001077880383 677897144 /nfs/dbraw/zinc/89/71/44/677897144.db2.gz ZIUPZVSDRLTNQP-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cccnn1 ZINC001077880383 677897148 /nfs/dbraw/zinc/89/71/48/677897148.db2.gz ZIUPZVSDRLTNQP-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2nnc[nH]2)C1=O ZINC001032724379 677897272 /nfs/dbraw/zinc/89/72/72/677897272.db2.gz SUPSIFARWPKHPI-GARJFASQSA-N 1 1 304.354 -1.137 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077900499 677897577 /nfs/dbraw/zinc/89/75/77/677897577.db2.gz BMZZOTQMCYTLFC-IJLUTSLNSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001077900499 677897580 /nfs/dbraw/zinc/89/75/80/677897580.db2.gz BMZZOTQMCYTLFC-IJLUTSLNSA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1ncc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cnc21 ZINC001077901841 677897645 /nfs/dbraw/zinc/89/76/45/677897645.db2.gz HKGZEKNQLJFMCH-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1ncc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC001077901841 677897647 /nfs/dbraw/zinc/89/76/47/677897647.db2.gz HKGZEKNQLJFMCH-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077901002 677897729 /nfs/dbraw/zinc/89/77/29/677897729.db2.gz XCBGMGAHFYINTG-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(=O)n1 ZINC001077904177 677897819 /nfs/dbraw/zinc/89/78/19/677897819.db2.gz NADWLXVAYYSGPB-YNEHKIRRSA-N 1 1 324.381 -1.598 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001077910260 677898308 /nfs/dbraw/zinc/89/83/08/677898308.db2.gz LWSBOOVDLJHBLF-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001077910260 677898309 /nfs/dbraw/zinc/89/83/09/677898309.db2.gz LWSBOOVDLJHBLF-DGCLKSJQSA-N 1 1 319.369 -1.030 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077953844 677900155 /nfs/dbraw/zinc/90/01/55/677900155.db2.gz OYKMXPDHPGVJAJ-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077956267 677900260 /nfs/dbraw/zinc/90/02/60/677900260.db2.gz YLXDGKZQGYUCRF-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001077949613 677900353 /nfs/dbraw/zinc/90/03/53/677900353.db2.gz DEUOSGIRRBAAFP-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO Cc1cn2ccnc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)c2n1 ZINC001077961656 677900846 /nfs/dbraw/zinc/90/08/46/677900846.db2.gz XQFYLXQFVIWVNG-GHMZBOCLSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1cn2ccnc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)c2n1 ZINC001077961656 677900849 /nfs/dbraw/zinc/90/08/49/677900849.db2.gz XQFYLXQFVIWVNG-GHMZBOCLSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc(N2CCCC2)nn1 ZINC001077977507 677901858 /nfs/dbraw/zinc/90/18/58/677901858.db2.gz AZZPDVJUFSXANQ-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc(N2CCCC2)nn1 ZINC001077977507 677901862 /nfs/dbraw/zinc/90/18/62/677901862.db2.gz AZZPDVJUFSXANQ-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@H]3O)n2n1 ZINC001077994708 677902573 /nfs/dbraw/zinc/90/25/73/677902573.db2.gz WGLWBENBGUJQFX-MKPLZMMCSA-N 1 1 320.353 -1.412 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001078007231 677902946 /nfs/dbraw/zinc/90/29/46/677902946.db2.gz MWCMIXQIAPPTKH-BFHYXJOUSA-N 1 1 322.413 -1.219 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001077999755 677903394 /nfs/dbraw/zinc/90/33/94/677903394.db2.gz YULDGMLAKPTDAY-OASPWFOLSA-N 1 1 309.370 -1.283 20 0 DAADMO CN1CCCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1=O ZINC001077995930 677903472 /nfs/dbraw/zinc/90/34/72/677903472.db2.gz YKNWTVMDNCSTEW-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001077995741 677903611 /nfs/dbraw/zinc/90/36/11/677903611.db2.gz PEURGBSFNWTIIV-JMJZKYOTSA-N 1 1 321.337 -1.409 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001077995768 677903680 /nfs/dbraw/zinc/90/36/80/677903680.db2.gz PWCDZXQBVFVIMB-GHMZBOCLSA-N 1 1 321.337 -1.144 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005844 677903928 /nfs/dbraw/zinc/90/39/28/677903928.db2.gz KSPCTBVNKCZGJM-IJLUTSLNSA-N 1 1 323.401 -1.787 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001078020351 677905573 /nfs/dbraw/zinc/90/55/73/677905573.db2.gz MOBJBXXSSYIDOS-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001078020351 677905577 /nfs/dbraw/zinc/90/55/77/677905577.db2.gz MOBJBXXSSYIDOS-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cn1 ZINC001078021734 677905879 /nfs/dbraw/zinc/90/58/79/677905879.db2.gz IYVYHMPETYSZEP-OASPWFOLSA-N 1 1 322.365 -1.403 20 0 DAADMO CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078051236 677906175 /nfs/dbraw/zinc/90/61/75/677906175.db2.gz YYPWXQQCGITJIZ-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001078051236 677906179 /nfs/dbraw/zinc/90/61/79/677906179.db2.gz YYPWXQQCGITJIZ-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)cn1 ZINC001078090221 677908098 /nfs/dbraw/zinc/90/80/98/677908098.db2.gz IZJVPYLUHVWIDB-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)cn1 ZINC001078090221 677908100 /nfs/dbraw/zinc/90/81/00/677908100.db2.gz IZJVPYLUHVWIDB-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CNC(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001078094399 677909094 /nfs/dbraw/zinc/90/90/94/677909094.db2.gz SETWLJBLUZTLQX-GARJFASQSA-N 1 1 311.386 -1.227 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC001078093656 677909171 /nfs/dbraw/zinc/90/91/71/677909171.db2.gz UBHRSVCMYKQPTG-VXGBXAGGSA-N 1 1 319.321 -1.502 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC001078093656 677909173 /nfs/dbraw/zinc/90/91/73/677909173.db2.gz UBHRSVCMYKQPTG-VXGBXAGGSA-N 1 1 319.321 -1.502 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001078092627 677909204 /nfs/dbraw/zinc/90/92/04/677909204.db2.gz SFVDKMVNWFVYJK-GXSJLCMTSA-N 1 1 322.369 -1.116 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC001078099104 677909742 /nfs/dbraw/zinc/90/97/42/677909742.db2.gz UMRDQDMVNUBVCV-VXGBXAGGSA-N 1 1 308.338 -1.792 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001078099104 677909743 /nfs/dbraw/zinc/90/97/43/677909743.db2.gz UMRDQDMVNUBVCV-VXGBXAGGSA-N 1 1 308.338 -1.792 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)c(=O)n1C ZINC001078105679 677909888 /nfs/dbraw/zinc/90/98/88/677909888.db2.gz KMEDGYWVJPECCP-CHWSQXEVSA-N 1 1 323.397 -1.148 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001078116093 677910185 /nfs/dbraw/zinc/91/01/85/677910185.db2.gz JSMUWNRXFXQXJC-BFVXHGPNSA-N 1 1 324.381 -1.654 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001078124594 677912659 /nfs/dbraw/zinc/91/26/59/677912659.db2.gz YRLHKRRJHMJMJG-NXEZZACHSA-N 1 1 312.370 -1.114 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078134248 677912861 /nfs/dbraw/zinc/91/28/61/677912861.db2.gz OKTXYCJPSQTHTB-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1=O ZINC001078141138 677913228 /nfs/dbraw/zinc/91/32/28/677913228.db2.gz NXXQLDSGOILECN-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1=O ZINC001078141138 677913231 /nfs/dbraw/zinc/91/32/31/677913231.db2.gz NXXQLDSGOILECN-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144354 677913948 /nfs/dbraw/zinc/91/39/48/677913948.db2.gz LAHAHCGNKVPICD-IVZWLZJFSA-N 1 1 314.342 -2.578 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144223 677913956 /nfs/dbraw/zinc/91/39/56/677913956.db2.gz FIWIGUZHEDFGCZ-HBNTYKKESA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144358 677913992 /nfs/dbraw/zinc/91/39/92/677913992.db2.gz LEALPUGSRBIOJX-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144358 677913996 /nfs/dbraw/zinc/91/39/96/677913996.db2.gz LEALPUGSRBIOJX-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149509 677914668 /nfs/dbraw/zinc/91/46/68/677914668.db2.gz IPZDNSVUYGVTQJ-IVZWLZJFSA-N 1 1 323.353 -1.615 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149509 677914670 /nfs/dbraw/zinc/91/46/70/677914670.db2.gz IPZDNSVUYGVTQJ-IVZWLZJFSA-N 1 1 323.353 -1.615 20 0 DAADMO CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001078146414 677914728 /nfs/dbraw/zinc/91/47/28/677914728.db2.gz FQUKVZWRXKVDSN-KIDURHIOSA-N 1 1 324.381 -1.254 20 0 DAADMO Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175136 677915521 /nfs/dbraw/zinc/91/55/21/677915521.db2.gz XBHZNBCTABHNBI-RAIGVLPGSA-N 1 1 309.370 -1.009 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cccc(-n2cnnn2)c1 ZINC001078161031 677915614 /nfs/dbraw/zinc/91/56/14/677915614.db2.gz ALXDPVJQBLCYMY-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc(-n2cnnn2)c1 ZINC001078161031 677915616 /nfs/dbraw/zinc/91/56/16/677915616.db2.gz ALXDPVJQBLCYMY-CHWSQXEVSA-N 1 1 318.337 -1.571 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078174827 677916838 /nfs/dbraw/zinc/91/68/38/677916838.db2.gz UHYCGZRUFHJLOJ-CYZMBNFOSA-N 1 1 310.398 -1.622 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)C1 ZINC001078174559 677916934 /nfs/dbraw/zinc/91/69/34/677916934.db2.gz PEEZOAIMHXSWGO-BFHYXJOUSA-N 1 1 307.398 -1.004 20 0 DAADMO CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175114 677917033 /nfs/dbraw/zinc/91/70/33/677917033.db2.gz WONSLUBDGNRHMN-YNEHKIRRSA-N 1 1 322.413 -1.089 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@H]2O)C1 ZINC001078174828 677917202 /nfs/dbraw/zinc/91/72/02/677917202.db2.gz UHYCGZRUFHJLOJ-RAIGVLPGSA-N 1 1 310.398 -1.622 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174607 677917376 /nfs/dbraw/zinc/91/73/76/677917376.db2.gz QGKQRMOSPWEPLW-IJLUTSLNSA-N 1 1 308.386 -1.572 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078173359 677917382 /nfs/dbraw/zinc/91/73/82/677917382.db2.gz UYIANHAHLHAUGS-GHMZBOCLSA-N 1 1 320.353 -1.526 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001078183410 677917413 /nfs/dbraw/zinc/91/74/13/677917413.db2.gz PKGWYECOBYSBCO-GHMZBOCLSA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001078183438 677917477 /nfs/dbraw/zinc/91/74/77/677917477.db2.gz QPUFVVHJGSQXRY-VXGBXAGGSA-N 1 1 319.369 -1.318 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193227 677917829 /nfs/dbraw/zinc/91/78/29/677917829.db2.gz IEODRQISNWACDW-IJLUTSLNSA-N 1 1 317.411 -1.361 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078184756 677917874 /nfs/dbraw/zinc/91/78/74/677917874.db2.gz KRYAPJCZWWOUGK-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193236 677917925 /nfs/dbraw/zinc/91/79/25/677917925.db2.gz IKQZHILIMFISHA-OPRDCNLKSA-N 1 1 307.372 -2.514 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193460 677918038 /nfs/dbraw/zinc/91/80/38/677918038.db2.gz RNEYPTSUKJKTDB-GMTAPVOTSA-N 1 1 305.400 -1.505 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001078182179 677918731 /nfs/dbraw/zinc/91/87/31/677918731.db2.gz JHNSGTNVFXWEJI-CYZMBNFOSA-N 1 1 323.397 -1.170 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194672 677918811 /nfs/dbraw/zinc/91/88/11/677918811.db2.gz UTYXHQOWKXACBT-XXILOJSOSA-N 1 1 308.338 -1.664 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078199637 677918846 /nfs/dbraw/zinc/91/88/46/677918846.db2.gz QGTONTUICPMZJQ-JHJVBQTASA-N 1 1 315.370 -2.223 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078213942 677919289 /nfs/dbraw/zinc/91/92/89/677919289.db2.gz JPCZPAGMSQNFOB-YUSALJHKSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1noc2c1COCC2 ZINC001078206800 677919311 /nfs/dbraw/zinc/91/93/11/677919311.db2.gz JHNBHEMSDHAEKB-GHMZBOCLSA-N 1 1 311.338 -1.095 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1noc2c1COCC2 ZINC001078206800 677919313 /nfs/dbraw/zinc/91/93/13/677919313.db2.gz JHNBHEMSDHAEKB-GHMZBOCLSA-N 1 1 311.338 -1.095 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078218287 677919423 /nfs/dbraw/zinc/91/94/23/677919423.db2.gz QMFPEVZGBIAWLH-JMJZKYOTSA-N 1 1 308.338 -1.664 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078218407 677919576 /nfs/dbraw/zinc/91/95/76/677919576.db2.gz WNQZPTQWBDGWAS-MVWJERBFSA-N 1 1 322.365 -1.010 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001078220057 677920083 /nfs/dbraw/zinc/92/00/83/677920083.db2.gz XIHFRGOEQNIMRI-YNEHKIRRSA-N 1 1 323.397 -1.043 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229735 677920151 /nfs/dbraw/zinc/92/01/51/677920151.db2.gz VYWWFCJHBOYFIN-ZYHUDNBSSA-N 1 1 324.385 -1.416 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001078205931 677920298 /nfs/dbraw/zinc/92/02/98/677920298.db2.gz JRVOPHORSMUWAU-MVWJERBFSA-N 1 1 323.397 -1.223 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229703 677920448 /nfs/dbraw/zinc/92/04/48/677920448.db2.gz UWSNQVYDTSGNEJ-ZYHUDNBSSA-N 1 1 322.369 -1.496 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229703 677920452 /nfs/dbraw/zinc/92/04/52/677920452.db2.gz UWSNQVYDTSGNEJ-ZYHUDNBSSA-N 1 1 322.369 -1.496 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230688 677920467 /nfs/dbraw/zinc/92/04/67/677920467.db2.gz MQCXMGNTVXVPAU-MWLCHTKSSA-N 1 1 310.358 -1.839 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920488 /nfs/dbraw/zinc/92/04/88/677920488.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)C1 ZINC001078206007 677920491 /nfs/dbraw/zinc/92/04/91/677920491.db2.gz LRAOLIMUHRNOGL-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)nn1 ZINC001078229428 677920602 /nfs/dbraw/zinc/92/06/02/677920602.db2.gz HPZLVRKVIYIRRP-PSASIEDQSA-N 1 1 314.321 -2.102 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001078254959 677921818 /nfs/dbraw/zinc/92/18/18/677921818.db2.gz YHBNCEXFBLIDLY-ZLKJLUDKSA-N 1 1 321.377 -1.130 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273626 677922287 /nfs/dbraw/zinc/92/22/87/677922287.db2.gz ZUOKKEOZKZPPKV-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273626 677922290 /nfs/dbraw/zinc/92/22/90/677922290.db2.gz ZUOKKEOZKZPPKV-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078272271 677922298 /nfs/dbraw/zinc/92/22/98/677922298.db2.gz PIKAMMMQIJYVIK-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078272271 677922304 /nfs/dbraw/zinc/92/23/04/677922304.db2.gz PIKAMMMQIJYVIK-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130432 677922338 /nfs/dbraw/zinc/92/23/38/677922338.db2.gz QNBMASCXPYADQH-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266914 677922775 /nfs/dbraw/zinc/92/27/75/677922775.db2.gz KMEXARPIQRAUPX-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078288015 677923176 /nfs/dbraw/zinc/92/31/76/677923176.db2.gz JXGHZWCJWZXFGN-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078288015 677923177 /nfs/dbraw/zinc/92/31/77/677923177.db2.gz JXGHZWCJWZXFGN-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361653 677923946 /nfs/dbraw/zinc/92/39/46/677923946.db2.gz KLWCOJMMTGRNQM-SNVBAGLBSA-N 1 1 310.358 -1.602 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 ZINC001078361672 677924007 /nfs/dbraw/zinc/92/40/07/677924007.db2.gz KTRNCKJFMFVSNZ-GFCCVEGCSA-N 1 1 324.385 -1.120 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1)c1nncn1C ZINC001078362163 677924010 /nfs/dbraw/zinc/92/40/10/677924010.db2.gz RVAJAOTWDLSELH-QWRGUYRKSA-N 1 1 324.385 -1.041 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078361741 677924190 /nfs/dbraw/zinc/92/41/90/677924190.db2.gz MEXGWUDUWFWFHL-SNVBAGLBSA-N 1 1 311.342 -1.039 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)n1 ZINC001078361545 677924270 /nfs/dbraw/zinc/92/42/70/677924270.db2.gz HRSAOOHTLGHWIJ-LBPRGKRZSA-N 1 1 324.385 -1.120 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424358 677924613 /nfs/dbraw/zinc/92/46/13/677924613.db2.gz RIFXPWRICTYJIS-VIFPVBQESA-N 1 1 321.345 -1.651 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCCO2)nn1 ZINC001078423936 677924801 /nfs/dbraw/zinc/92/48/01/677924801.db2.gz GTBBVYFXPMTWMR-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1)c1nncn1C ZINC001078458193 677925589 /nfs/dbraw/zinc/92/55/89/677925589.db2.gz BJOQURVWWWNAGK-NXEZZACHSA-N 1 1 310.358 -1.432 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1)c1nnnn1C ZINC001078458392 677925705 /nfs/dbraw/zinc/92/57/05/677925705.db2.gz GXQIGRZENKPZBB-RKDXNWHRSA-N 1 1 311.346 -2.037 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078457426 677925778 /nfs/dbraw/zinc/92/57/78/677925778.db2.gz WTSFDRJTWKQJDT-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)nn1 ZINC001078458234 677926036 /nfs/dbraw/zinc/92/60/36/677926036.db2.gz CMRQCVYVFZAOFZ-NSHDSACASA-N 1 1 310.358 -1.510 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1)c1nncn1C ZINC001078458195 677926096 /nfs/dbraw/zinc/92/60/96/677926096.db2.gz BJOQURVWWWNAGK-VHSXEESVSA-N 1 1 310.358 -1.432 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078441407 677926318 /nfs/dbraw/zinc/92/63/18/677926318.db2.gz VBYKPFJWTMMZLZ-NWDGAFQWSA-N 1 1 323.353 -1.087 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078470081 677926645 /nfs/dbraw/zinc/92/66/45/677926645.db2.gz GFOGFGMUILWJQE-TUAOUCFPSA-N 1 1 323.353 -1.102 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001078489550 677926937 /nfs/dbraw/zinc/92/69/37/677926937.db2.gz TVGWGHFOHFFKHP-VIFPVBQESA-N 1 1 322.329 -1.386 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001078570556 677927803 /nfs/dbraw/zinc/92/78/03/677927803.db2.gz QEXHSKCLKDGWDM-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001078570556 677927805 /nfs/dbraw/zinc/92/78/05/677927805.db2.gz QEXHSKCLKDGWDM-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056731009 677933656 /nfs/dbraw/zinc/93/36/56/677933656.db2.gz PSXRCKJWBVVNPE-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056731009 677933657 /nfs/dbraw/zinc/93/36/57/677933657.db2.gz PSXRCKJWBVVNPE-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003043520 677939015 /nfs/dbraw/zinc/93/90/15/677939015.db2.gz OMPYYCYGVRQNQV-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058388887 677941135 /nfs/dbraw/zinc/94/11/35/677941135.db2.gz REYRGHRBYAZOAC-UHFFFAOYSA-N 1 1 321.341 -1.439 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC(=O)N2CCOCC2)C1 ZINC001044292288 677945039 /nfs/dbraw/zinc/94/50/39/677945039.db2.gz LIVFXNWKSGLDAJ-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061449800 677949737 /nfs/dbraw/zinc/94/97/37/677949737.db2.gz WJPKSFICIDQCHQ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC(N)=O)C1 ZINC001061453640 677950089 /nfs/dbraw/zinc/95/00/89/677950089.db2.gz WRLYJKGNOWFLIV-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061451488 677950286 /nfs/dbraw/zinc/95/02/86/677950286.db2.gz GIABUOWTRSXMKU-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061599509 677956953 /nfs/dbraw/zinc/95/69/53/677956953.db2.gz RRLJEORSNQSCIP-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001044790564 677958595 /nfs/dbraw/zinc/95/85/95/677958595.db2.gz WDMGZGNRPJCEIQ-MNOVXSKESA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001044790564 677958597 /nfs/dbraw/zinc/95/85/97/677958597.db2.gz WDMGZGNRPJCEIQ-MNOVXSKESA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CCCF)C2)C1 ZINC001044841837 677959962 /nfs/dbraw/zinc/95/99/62/677959962.db2.gz KJYQJUOIGUWGDV-LLVKDONJSA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CCCF)C2)C1 ZINC001044841837 677959965 /nfs/dbraw/zinc/95/99/65/677959965.db2.gz KJYQJUOIGUWGDV-LLVKDONJSA-N 1 1 317.361 -1.244 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061711415 677961897 /nfs/dbraw/zinc/96/18/97/677961897.db2.gz JMHMVDHVFMVCDA-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061724814 677962721 /nfs/dbraw/zinc/96/27/21/677962721.db2.gz XLVFLXQNLWVONO-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061841297 677966414 /nfs/dbraw/zinc/96/64/14/677966414.db2.gz XOTYCSLRJOYYJC-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061840847 677966812 /nfs/dbraw/zinc/96/68/12/677966812.db2.gz QIJDGNHIAMUVNR-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061839995 677967044 /nfs/dbraw/zinc/96/70/44/677967044.db2.gz IOBDXBQYIAFHFF-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061837459 677967507 /nfs/dbraw/zinc/96/75/07/677967507.db2.gz UFBMAZDQAXVKDA-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061847184 677971096 /nfs/dbraw/zinc/97/10/96/677971096.db2.gz RUYNTIBYLQSDLQ-SNVBAGLBSA-N 1 1 300.359 -1.845 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061847183 677971209 /nfs/dbraw/zinc/97/12/09/677971209.db2.gz RUYNTIBYLQSDLQ-JTQLQIEISA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061898378 677973328 /nfs/dbraw/zinc/97/33/28/677973328.db2.gz IQLLRPZAONABMO-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061908028 677973783 /nfs/dbraw/zinc/97/37/83/677973783.db2.gz RTWWZWSTJRGVBZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)CNC(N)=O)CCC2)C1 ZINC001062491752 677979443 /nfs/dbraw/zinc/97/94/43/677979443.db2.gz QMWUSNPNSRFBEC-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001062499350 677979873 /nfs/dbraw/zinc/97/98/73/677979873.db2.gz FYUMLGQSVZRVTI-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)CNC(N)=O)CCC1 ZINC001062711963 677981712 /nfs/dbraw/zinc/98/17/12/677981712.db2.gz JYNNGLSPYUCXMR-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)Cn2ncnn2)CCC1 ZINC001062713193 677981821 /nfs/dbraw/zinc/98/18/21/677981821.db2.gz MBWVSTIDFYLLNQ-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)CNC(N)=O)CCC2)C1 ZINC001063099617 677985962 /nfs/dbraw/zinc/98/59/62/677985962.db2.gz WSVNJKGQWBJGIG-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)Cn3cnnn3)CCC2)C1 ZINC001063099282 677986067 /nfs/dbraw/zinc/98/60/67/677986067.db2.gz NPSGKMIJDJEKAD-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2(CNC(=O)C(N)=O)CCC2)no1 ZINC001064293397 677993793 /nfs/dbraw/zinc/99/37/93/677993793.db2.gz GHNRALFQLRYPDY-UHFFFAOYSA-N 1 1 323.353 -1.010 20 0 DAADMO NC(=O)C(=O)NCC1(NC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001064289802 677995089 /nfs/dbraw/zinc/99/50/89/677995089.db2.gz KOVXBTIYUAYSGH-UHFFFAOYSA-N 1 1 312.370 -1.651 20 0 DAADMO NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC001064294925 677995483 /nfs/dbraw/zinc/99/54/83/677995483.db2.gz FULLXOLVLCSVNV-MNOVXSKESA-N 1 1 324.381 -1.510 20 0 DAADMO NC(=O)C(=O)NCC1(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC001064294924 677995656 /nfs/dbraw/zinc/99/56/56/677995656.db2.gz FULLXOLVLCSVNV-GHMZBOCLSA-N 1 1 324.381 -1.510 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998667 678009585 /nfs/dbraw/zinc/00/95/85/678009585.db2.gz JFQVOTAPZZIGEG-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079281426 678019360 /nfs/dbraw/zinc/01/93/60/678019360.db2.gz ISTKIJICLIFGJK-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079395347 678020719 /nfs/dbraw/zinc/02/07/19/678020719.db2.gz CIVZPJPOAHAEEP-OUAUKWLOSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400079 678020851 /nfs/dbraw/zinc/02/08/51/678020851.db2.gz LKQLBUQITFPGQV-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400868 678020906 /nfs/dbraw/zinc/02/09/06/678020906.db2.gz WTSCAYSMBHECAD-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400868 678020907 /nfs/dbraw/zinc/02/09/07/678020907.db2.gz WTSCAYSMBHECAD-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395802 678021025 /nfs/dbraw/zinc/02/10/25/678021025.db2.gz XOFRUHZGPOOENK-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001079395867 678021061 /nfs/dbraw/zinc/02/10/61/678021061.db2.gz ZRYWWQSMZPLROI-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593995 678022877 /nfs/dbraw/zinc/02/28/77/678022877.db2.gz SGKTZWOVQMRRMV-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526923 678023017 /nfs/dbraw/zinc/02/30/17/678023017.db2.gz XBWYCJBAPOFPRX-JHJVBQTASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526923 678023019 /nfs/dbraw/zinc/02/30/19/678023019.db2.gz XBWYCJBAPOFPRX-JHJVBQTASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526801 678023041 /nfs/dbraw/zinc/02/30/41/678023041.db2.gz TWJXRHCSEFYQEK-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526801 678023043 /nfs/dbraw/zinc/02/30/43/678023043.db2.gz TWJXRHCSEFYQEK-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526802 678023090 /nfs/dbraw/zinc/02/30/90/678023090.db2.gz TWJXRHCSEFYQEK-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526802 678023093 /nfs/dbraw/zinc/02/30/93/678023093.db2.gz TWJXRHCSEFYQEK-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630819 678023520 /nfs/dbraw/zinc/02/35/20/678023520.db2.gz PMHDFAICEBIWIJ-OPRDCNLKSA-N 1 1 308.338 -1.083 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630819 678023522 /nfs/dbraw/zinc/02/35/22/678023522.db2.gz PMHDFAICEBIWIJ-OPRDCNLKSA-N 1 1 308.338 -1.083 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630818 678023646 /nfs/dbraw/zinc/02/36/46/678023646.db2.gz PMHDFAICEBIWIJ-BBBLOLIVSA-N 1 1 308.338 -1.083 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001079630818 678023649 /nfs/dbraw/zinc/02/36/49/678023649.db2.gz PMHDFAICEBIWIJ-BBBLOLIVSA-N 1 1 308.338 -1.083 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001079602305 678023835 /nfs/dbraw/zinc/02/38/35/678023835.db2.gz HDYZZFIOQMUCJO-BBBLOLIVSA-N 1 1 310.358 -1.316 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655241 678024337 /nfs/dbraw/zinc/02/43/37/678024337.db2.gz WEEOMDXQMWPSNX-KKZNHRDASA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655241 678024340 /nfs/dbraw/zinc/02/43/40/678024340.db2.gz WEEOMDXQMWPSNX-KKZNHRDASA-N 1 1 320.353 -1.330 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)nn1 ZINC001079685748 678024602 /nfs/dbraw/zinc/02/46/02/678024602.db2.gz KNGKIAMJBRIYEZ-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)nn1 ZINC001079685748 678024604 /nfs/dbraw/zinc/02/46/04/678024604.db2.gz KNGKIAMJBRIYEZ-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642686 678024832 /nfs/dbraw/zinc/02/48/32/678024832.db2.gz IUMWITIAVUBLQF-GMTAPVOTSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642686 678024834 /nfs/dbraw/zinc/02/48/34/678024834.db2.gz IUMWITIAVUBLQF-GMTAPVOTSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704071 678025252 /nfs/dbraw/zinc/02/52/52/678025252.db2.gz HHVLMBGKIOJXQI-GMTAPVOTSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079705394 678025885 /nfs/dbraw/zinc/02/58/85/678025885.db2.gz ZVTHYCJGCSFPKH-GHMZBOCLSA-N 1 1 305.346 -1.599 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704495 678025929 /nfs/dbraw/zinc/02/59/29/678025929.db2.gz CQQMRTKDPZWJJM-MXWKQRLJSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805491 678027168 /nfs/dbraw/zinc/02/71/68/678027168.db2.gz SVNOKCIDPSEODE-VXGBXAGGSA-N 1 1 324.381 -1.634 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803106 678027199 /nfs/dbraw/zinc/02/71/99/678027199.db2.gz HLFKZEVKQKDXSI-KXUCPTDWSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803106 678027202 /nfs/dbraw/zinc/02/72/02/678027202.db2.gz HLFKZEVKQKDXSI-KXUCPTDWSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805613 678027241 /nfs/dbraw/zinc/02/72/41/678027241.db2.gz XKSGWOHHHANNTN-GHMZBOCLSA-N 1 1 310.354 -2.024 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001079984878 678029764 /nfs/dbraw/zinc/02/97/64/678029764.db2.gz OPKLRWMLIJMHRG-OUAUKWLOSA-N 1 1 309.370 -1.025 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001079984722 678029873 /nfs/dbraw/zinc/02/98/73/678029873.db2.gz HUHKLQYYDXMKSL-OPRDCNLKSA-N 1 1 322.369 -1.532 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001079984722 678029875 /nfs/dbraw/zinc/02/98/75/678029875.db2.gz HUHKLQYYDXMKSL-OPRDCNLKSA-N 1 1 322.369 -1.532 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001080075723 678031024 /nfs/dbraw/zinc/03/10/24/678031024.db2.gz JYBJZPWPIMNOPR-OUAUKWLOSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001080075723 678031025 /nfs/dbraw/zinc/03/10/25/678031025.db2.gz JYBJZPWPIMNOPR-OUAUKWLOSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001080182934 678031515 /nfs/dbraw/zinc/03/15/15/678031515.db2.gz CFASVCDZLFLFST-ADEWGFFLSA-N 1 1 307.354 -1.206 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080246253 678032473 /nfs/dbraw/zinc/03/24/73/678032473.db2.gz ZVHWOMLMGLXSGT-SZEHBUNVSA-N 1 1 320.353 -1.032 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080246253 678032476 /nfs/dbraw/zinc/03/24/76/678032476.db2.gz ZVHWOMLMGLXSGT-SZEHBUNVSA-N 1 1 320.353 -1.032 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258029 678032497 /nfs/dbraw/zinc/03/24/97/678032497.db2.gz LSDVCVYAUXBCSH-UTUOFQBUSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258029 678032500 /nfs/dbraw/zinc/03/25/00/678032500.db2.gz LSDVCVYAUXBCSH-UTUOFQBUSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1nc2ccccn2c1=O ZINC001080229815 678032661 /nfs/dbraw/zinc/03/26/61/678032661.db2.gz DYLHDJBKQFPAGF-VXGBXAGGSA-N 1 1 319.365 -1.075 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nnn(C)n3)C2)C1=O ZINC001080277033 678033209 /nfs/dbraw/zinc/03/32/09/678033209.db2.gz CHXGPCXARMVASG-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nnn(C)n3)C2)C1=O ZINC001080277033 678033212 /nfs/dbraw/zinc/03/32/12/678033212.db2.gz CHXGPCXARMVASG-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277281 678033279 /nfs/dbraw/zinc/03/32/79/678033279.db2.gz LNNHKJATCJAAGS-NXEZZACHSA-N 1 1 305.346 -1.448 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279183 678033319 /nfs/dbraw/zinc/03/33/19/678033319.db2.gz LQZJTDVHMCDAFL-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279183 678033321 /nfs/dbraw/zinc/03/33/21/678033321.db2.gz LQZJTDVHMCDAFL-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080280889 678033348 /nfs/dbraw/zinc/03/33/48/678033348.db2.gz CZSPIRXRXZBHEO-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080280889 678033349 /nfs/dbraw/zinc/03/33/49/678033349.db2.gz CZSPIRXRXZBHEO-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080262482 678033404 /nfs/dbraw/zinc/03/34/04/678033404.db2.gz DCGNONQXGBSZHK-GRYCIOLGSA-N 1 1 306.370 -1.149 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281221 678034062 /nfs/dbraw/zinc/03/40/62/678034062.db2.gz VNHXSJSJTISOIY-OPRDCNLKSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281221 678034064 /nfs/dbraw/zinc/03/40/64/678034064.db2.gz VNHXSJSJTISOIY-OPRDCNLKSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001080336635 678034472 /nfs/dbraw/zinc/03/44/72/678034472.db2.gz NDMDCKMJNLJHMG-JFGNBEQYSA-N 1 1 320.397 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001080336635 678034473 /nfs/dbraw/zinc/03/44/73/678034473.db2.gz NDMDCKMJNLJHMG-JFGNBEQYSA-N 1 1 320.397 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080363276 678034492 /nfs/dbraw/zinc/03/44/92/678034492.db2.gz WEOYMAWPIGPKLP-GMTAPVOTSA-N 1 1 307.358 -1.604 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080407289 678036314 /nfs/dbraw/zinc/03/63/14/678036314.db2.gz VTBLFDPEAXNSTP-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080407289 678036317 /nfs/dbraw/zinc/03/63/17/678036317.db2.gz VTBLFDPEAXNSTP-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001080407188 678036363 /nfs/dbraw/zinc/03/63/63/678036363.db2.gz RJMUPPWWJCLORJ-JQWIXIFHSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080435262 678036812 /nfs/dbraw/zinc/03/68/12/678036812.db2.gz WRAUBLYKTULWHY-CHWFTXMASA-N 1 1 312.370 -1.798 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080435262 678036815 /nfs/dbraw/zinc/03/68/15/678036815.db2.gz WRAUBLYKTULWHY-CHWFTXMASA-N 1 1 312.370 -1.798 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001080478334 678037153 /nfs/dbraw/zinc/03/71/53/678037153.db2.gz QVHUEBOAVHFPKX-GMTAPVOTSA-N 1 1 321.385 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001080478334 678037155 /nfs/dbraw/zinc/03/71/55/678037155.db2.gz QVHUEBOAVHFPKX-GMTAPVOTSA-N 1 1 321.385 -1.453 20 0 DAADMO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001080550250 678037182 /nfs/dbraw/zinc/03/71/82/678037182.db2.gz ZLHMVYZCWKBJBQ-RKDXNWHRSA-N 1 1 314.317 -1.187 20 0 DAADMO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001080550250 678037185 /nfs/dbraw/zinc/03/71/85/678037185.db2.gz ZLHMVYZCWKBJBQ-RKDXNWHRSA-N 1 1 314.317 -1.187 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080460877 678037450 /nfs/dbraw/zinc/03/74/50/678037450.db2.gz YHFGTDIXRPSMGB-WISYIIOYSA-N 1 1 323.397 -1.431 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080478959 678037483 /nfs/dbraw/zinc/03/74/83/678037483.db2.gz CESYERCEWKBZAX-MWLCHTKSSA-N 1 1 321.381 -1.114 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080478959 678037484 /nfs/dbraw/zinc/03/74/84/678037484.db2.gz CESYERCEWKBZAX-MWLCHTKSSA-N 1 1 321.381 -1.114 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001080596999 678037789 /nfs/dbraw/zinc/03/77/89/678037789.db2.gz JLFVNSCOZCGQTA-MXWKQRLJSA-N 1 1 305.400 -1.551 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001080598892 678038218 /nfs/dbraw/zinc/03/82/18/678038218.db2.gz CCWWDKVFRYQNIT-GPZIFOQPSA-N 1 1 324.381 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612905 678038236 /nfs/dbraw/zinc/03/82/36/678038236.db2.gz ZHUPKFFYIIRCIY-NQMVMOMDSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612905 678038239 /nfs/dbraw/zinc/03/82/39/678038239.db2.gz ZHUPKFFYIIRCIY-NQMVMOMDSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648702 678039332 /nfs/dbraw/zinc/03/93/32/678039332.db2.gz XMRRPPSHMGQSRY-QNSHHTMESA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648702 678039333 /nfs/dbraw/zinc/03/93/33/678039333.db2.gz XMRRPPSHMGQSRY-QNSHHTMESA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750994 678040732 /nfs/dbraw/zinc/04/07/32/678040732.db2.gz ZPOIIVKZARXPFB-OPRDCNLKSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001080750994 678040735 /nfs/dbraw/zinc/04/07/35/678040735.db2.gz ZPOIIVKZARXPFB-OPRDCNLKSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001080771515 678041201 /nfs/dbraw/zinc/04/12/01/678041201.db2.gz MPAKPCMQWTWXNR-OUAUKWLOSA-N 1 1 312.370 -1.302 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001080774091 678041410 /nfs/dbraw/zinc/04/14/10/678041410.db2.gz AZBIGINXTYFEQL-RKDXNWHRSA-N 1 1 311.342 -2.198 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001080774091 678041413 /nfs/dbraw/zinc/04/14/13/678041413.db2.gz AZBIGINXTYFEQL-RKDXNWHRSA-N 1 1 311.342 -2.198 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080812076 678042248 /nfs/dbraw/zinc/04/22/48/678042248.db2.gz NMRGRRCPQZUVMZ-ADEWGFFLSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080812076 678042251 /nfs/dbraw/zinc/04/22/51/678042251.db2.gz NMRGRRCPQZUVMZ-ADEWGFFLSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894557 678042937 /nfs/dbraw/zinc/04/29/37/678042937.db2.gz AHVUWGUWCHBCRK-YUSALJHKSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894557 678042940 /nfs/dbraw/zinc/04/29/40/678042940.db2.gz AHVUWGUWCHBCRK-YUSALJHKSA-N 1 1 319.365 -1.281 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2C)c(=O)n1C ZINC001080872677 678043144 /nfs/dbraw/zinc/04/31/44/678043144.db2.gz FHSFCZMZRVQMRT-ZYHUDNBSSA-N 1 1 311.386 -1.291 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869529 678043171 /nfs/dbraw/zinc/04/31/71/678043171.db2.gz NUMCNRDJIZBHIA-PSASIEDQSA-N 1 1 310.358 -2.188 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869529 678043174 /nfs/dbraw/zinc/04/31/74/678043174.db2.gz NUMCNRDJIZBHIA-PSASIEDQSA-N 1 1 310.358 -2.188 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903158 678043341 /nfs/dbraw/zinc/04/33/41/678043341.db2.gz DNBZTGYWVQTLKN-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903158 678043343 /nfs/dbraw/zinc/04/33/43/678043343.db2.gz DNBZTGYWVQTLKN-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001080890326 678043512 /nfs/dbraw/zinc/04/35/12/678043512.db2.gz GNZRFJCDQDAPQO-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080904811 678043748 /nfs/dbraw/zinc/04/37/48/678043748.db2.gz ZPUJVYZZVKGKHE-MXWKQRLJSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080904811 678043751 /nfs/dbraw/zinc/04/37/51/678043751.db2.gz ZPUJVYZZVKGKHE-MXWKQRLJSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913615 678043889 /nfs/dbraw/zinc/04/38/89/678043889.db2.gz SNBHIAJIRCFNOP-OPRDCNLKSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913615 678043893 /nfs/dbraw/zinc/04/38/93/678043893.db2.gz SNBHIAJIRCFNOP-OPRDCNLKSA-N 1 1 310.354 -1.554 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913245 678043985 /nfs/dbraw/zinc/04/39/85/678043985.db2.gz ANECTHKHNYRDRN-MXWKQRLJSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913614 678044020 /nfs/dbraw/zinc/04/40/20/678044020.db2.gz SNBHIAJIRCFNOP-KXUCPTDWSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913614 678044025 /nfs/dbraw/zinc/04/40/25/678044025.db2.gz SNBHIAJIRCFNOP-KXUCPTDWSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080930708 678044069 /nfs/dbraw/zinc/04/40/69/678044069.db2.gz JCCWEXROHIAIPD-KHQFGBGNSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080930708 678044071 /nfs/dbraw/zinc/04/40/71/678044071.db2.gz JCCWEXROHIAIPD-KHQFGBGNSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913518 678044129 /nfs/dbraw/zinc/04/41/29/678044129.db2.gz OGJVMUDGFNIEQI-MXWKQRLJSA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913518 678044130 /nfs/dbraw/zinc/04/41/30/678044130.db2.gz OGJVMUDGFNIEQI-MXWKQRLJSA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913623 678044134 /nfs/dbraw/zinc/04/41/34/678044134.db2.gz SZVZCTWEFSRDDL-OUAUKWLOSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913623 678044136 /nfs/dbraw/zinc/04/41/36/678044136.db2.gz SZVZCTWEFSRDDL-OUAUKWLOSA-N 1 1 324.381 -1.294 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080975009 678044936 /nfs/dbraw/zinc/04/49/36/678044936.db2.gz UILXDYNFXBKSRS-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080978487 678046103 /nfs/dbraw/zinc/04/61/03/678046103.db2.gz FZMHIGZUQOADET-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001080959589 678046757 /nfs/dbraw/zinc/04/67/57/678046757.db2.gz KBBDSIHOQLDAAL-KXUCPTDWSA-N 1 1 318.399 -2.139 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001080959589 678046758 /nfs/dbraw/zinc/04/67/58/678046758.db2.gz KBBDSIHOQLDAAL-KXUCPTDWSA-N 1 1 318.399 -2.139 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081009656 678046827 /nfs/dbraw/zinc/04/68/27/678046827.db2.gz AXDMETJMRUMFOE-NXEZZACHSA-N 1 1 309.370 -1.480 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081009656 678046829 /nfs/dbraw/zinc/04/68/29/678046829.db2.gz AXDMETJMRUMFOE-NXEZZACHSA-N 1 1 309.370 -1.480 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001080960852 678046837 /nfs/dbraw/zinc/04/68/37/678046837.db2.gz IZPVPWHPUNBQLI-OUAUKWLOSA-N 1 1 305.400 -1.239 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001080999788 678046970 /nfs/dbraw/zinc/04/69/70/678046970.db2.gz IQHMVUKTMYXKPF-GHMZBOCLSA-N 1 1 324.385 -1.591 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001081063541 678047341 /nfs/dbraw/zinc/04/73/41/678047341.db2.gz JGBBQUNAVHWDCQ-GMTAPVOTSA-N 1 1 324.381 -1.436 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001081063541 678047342 /nfs/dbraw/zinc/04/73/42/678047342.db2.gz JGBBQUNAVHWDCQ-GMTAPVOTSA-N 1 1 324.381 -1.436 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC001081166503 678051416 /nfs/dbraw/zinc/05/14/16/678051416.db2.gz KDKJOIGXRKZBEE-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001081166499 678051586 /nfs/dbraw/zinc/05/15/86/678051586.db2.gz KDKJOIGXRKZBEE-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)COC)C1 ZINC001081181867 678055318 /nfs/dbraw/zinc/05/53/18/678055318.db2.gz XPRYJVUGWNUUGL-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001081188728 678056026 /nfs/dbraw/zinc/05/60/26/678056026.db2.gz JSGOHAIRTJRFGL-NEPJUHHUSA-N 1 1 310.354 -1.227 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cccn1 ZINC001081367222 678070675 /nfs/dbraw/zinc/07/06/75/678070675.db2.gz WUZCNJLVDUYGGS-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cccn1 ZINC001081367222 678070676 /nfs/dbraw/zinc/07/06/76/678070676.db2.gz WUZCNJLVDUYGGS-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081368268 678070922 /nfs/dbraw/zinc/07/09/22/678070922.db2.gz MJYHUNTZAFCMTN-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081371649 678072029 /nfs/dbraw/zinc/07/20/29/678072029.db2.gz QNIHLMTVWYLHOZ-GHMZBOCLSA-N 1 1 323.353 -1.998 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C1 ZINC001081372133 678072170 /nfs/dbraw/zinc/07/21/70/678072170.db2.gz XLSZUAKDINFKJH-GHMZBOCLSA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081438213 678079079 /nfs/dbraw/zinc/07/90/79/678079079.db2.gz YYAUWNNMRSOXBA-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@H](OC)C1 ZINC001081555314 678083439 /nfs/dbraw/zinc/08/34/39/678083439.db2.gz VQTKCCZFYWFHSN-CHWSQXEVSA-N 1 1 301.387 -1.220 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@H](OC)C1 ZINC001081560476 678084255 /nfs/dbraw/zinc/08/42/55/678084255.db2.gz BPXRZGZDLAVEPV-JHJVBQTASA-N 1 1 301.387 -1.221 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081573076 678084582 /nfs/dbraw/zinc/08/45/82/678084582.db2.gz ZDMWDPPHTHHGBI-ZJUUUORDSA-N 1 1 314.386 -1.863 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081632460 678088875 /nfs/dbraw/zinc/08/88/75/678088875.db2.gz OVOLCDDHKSSKAN-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO COCC(=O)N1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001081603247 678090460 /nfs/dbraw/zinc/09/04/60/678090460.db2.gz BWLUKADCUIJBLD-VXGBXAGGSA-N 1 1 310.354 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081603194 678090465 /nfs/dbraw/zinc/09/04/65/678090465.db2.gz BIGAJRFNJWLECR-QWRGUYRKSA-N 1 1 323.353 -1.998 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001081603244 678090517 /nfs/dbraw/zinc/09/05/17/678090517.db2.gz BWLUKADCUIJBLD-NEPJUHHUSA-N 1 1 310.354 -1.227 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)nn1 ZINC001081652343 678091721 /nfs/dbraw/zinc/09/17/21/678091721.db2.gz ZSMYPWYEHFZBNM-ZYHUDNBSSA-N 1 1 313.358 -1.654 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)nn1 ZINC001081652343 678091724 /nfs/dbraw/zinc/09/17/24/678091724.db2.gz ZSMYPWYEHFZBNM-ZYHUDNBSSA-N 1 1 313.358 -1.654 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081674090 678093424 /nfs/dbraw/zinc/09/34/24/678093424.db2.gz ZOPQPDQMEMYKNK-YNEHKIRRSA-N 1 1 324.385 -1.085 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1)OC ZINC001081673201 678093456 /nfs/dbraw/zinc/09/34/56/678093456.db2.gz BKONUYMDQRFSHB-QJPTWQEYSA-N 1 1 312.374 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673381 678093592 /nfs/dbraw/zinc/09/35/92/678093592.db2.gz JSAPJVARAMEGLX-JHJVBQTASA-N 1 1 324.385 -1.085 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691672 678094548 /nfs/dbraw/zinc/09/45/48/678094548.db2.gz KAVLDPHWVQPALL-FDYHWXHSSA-N 1 1 312.414 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081712717 678096292 /nfs/dbraw/zinc/09/62/92/678096292.db2.gz BTUDUOAUFNNTHU-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081714364 678098693 /nfs/dbraw/zinc/09/86/93/678098693.db2.gz WWPXFHBDCLPTCV-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081715735 678098893 /nfs/dbraw/zinc/09/88/93/678098893.db2.gz IQMNOEFUKYEZEQ-NXEZZACHSA-N 1 1 300.359 -2.253 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001081716745 678099595 /nfs/dbraw/zinc/09/95/95/678099595.db2.gz RFXUAHGDAONJRH-KOLCDFICSA-N 1 1 312.370 -2.109 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081717087 678099694 /nfs/dbraw/zinc/09/96/94/678099694.db2.gz TZXIPOXAFBASDJ-UWVGGRQHSA-N 1 1 309.326 -2.388 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001081716748 678099703 /nfs/dbraw/zinc/09/97/03/678099703.db2.gz RFXUAHGDAONJRH-ONGXEEELSA-N 1 1 312.370 -2.109 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081721254 678102067 /nfs/dbraw/zinc/10/20/67/678102067.db2.gz ILMUAGXWYCXFCI-ZJUUUORDSA-N 1 1 309.326 -2.388 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081721252 678102102 /nfs/dbraw/zinc/10/21/02/678102102.db2.gz ILMUAGXWYCXFCI-UWVGGRQHSA-N 1 1 309.326 -2.388 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081694638 678103247 /nfs/dbraw/zinc/10/32/47/678103247.db2.gz NBZOBOBRQXTDTF-GHMZBOCLSA-N 1 1 322.369 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1nccn1 ZINC001081739073 678103371 /nfs/dbraw/zinc/10/33/71/678103371.db2.gz FVNBIJZFROOJIK-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001081699219 678103535 /nfs/dbraw/zinc/10/35/35/678103535.db2.gz KDVPXKCSNBFTFD-NXEZZACHSA-N 1 1 310.358 -1.399 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081774108 678104039 /nfs/dbraw/zinc/10/40/39/678104039.db2.gz KKYKNKXXAHSOKL-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001081791078 678105097 /nfs/dbraw/zinc/10/50/97/678105097.db2.gz MVFUJGIJRUJTJI-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)Cc2cnc[nH]2)[C@H](O)C1 ZINC001081800786 678106023 /nfs/dbraw/zinc/10/60/23/678106023.db2.gz UTDIMIZZXCNVKV-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 ZINC001081808280 678106669 /nfs/dbraw/zinc/10/66/69/678106669.db2.gz GLQFZUNIVGWWKM-VXGBXAGGSA-N 1 1 310.354 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873450 678107176 /nfs/dbraw/zinc/10/71/76/678107176.db2.gz VMEDKOJHKYZAPG-VXGBXAGGSA-N 1 1 309.370 -1.193 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC001081842050 678107589 /nfs/dbraw/zinc/10/75/89/678107589.db2.gz ZSPFFZWBXSOXAZ-GHMZBOCLSA-N 1 1 310.354 -1.192 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccnc2n[nH]nc21 ZINC001081930596 678108022 /nfs/dbraw/zinc/10/80/22/678108022.db2.gz RMUVAQFIMFSQKY-NXEZZACHSA-N 1 1 306.326 -1.226 20 0 DAADMO CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949420 678108312 /nfs/dbraw/zinc/10/83/12/678108312.db2.gz OCXUXGUDLYCHAK-QJPTWQEYSA-N 1 1 309.370 -1.119 20 0 DAADMO CO[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949613 678108358 /nfs/dbraw/zinc/10/83/58/678108358.db2.gz YBNNIYJGUSACRN-FRRDWIJNSA-N 1 1 321.381 -1.105 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001081959287 678108495 /nfs/dbraw/zinc/10/84/95/678108495.db2.gz BSGSPXRNEUQIDK-HOSYDEDBSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001081959286 678108525 /nfs/dbraw/zinc/10/85/25/678108525.db2.gz BSGSPXRNEUQIDK-CKYFFXLPSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001082018841 678109143 /nfs/dbraw/zinc/10/91/43/678109143.db2.gz XCVMSXSMGGGAJH-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001082018733 678109280 /nfs/dbraw/zinc/10/92/80/678109280.db2.gz RCTXJUVZJAJGKE-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001082021092 678109640 /nfs/dbraw/zinc/10/96/40/678109640.db2.gz SBSVBGDUZBPPPF-GMTAPVOTSA-N 1 1 300.359 -1.528 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036973 678109775 /nfs/dbraw/zinc/10/97/75/678109775.db2.gz ZIDDJFLJSUKKMR-GMTAPVOTSA-N 1 1 310.358 -1.324 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038791 678109839 /nfs/dbraw/zinc/10/98/39/678109839.db2.gz WYJLXDRKCAYPMJ-ITGHMWBKSA-N 1 1 321.381 -1.014 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082038791 678109842 /nfs/dbraw/zinc/10/98/42/678109842.db2.gz WYJLXDRKCAYPMJ-ITGHMWBKSA-N 1 1 321.381 -1.014 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082036974 678109846 /nfs/dbraw/zinc/10/98/46/678109846.db2.gz ZIDDJFLJSUKKMR-HBNTYKKESA-N 1 1 310.358 -1.324 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001082152533 678111766 /nfs/dbraw/zinc/11/17/66/678111766.db2.gz QZCIXYZGRWKBQY-CHWSQXEVSA-N 1 1 322.365 -1.090 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001082152533 678111767 /nfs/dbraw/zinc/11/17/67/678111767.db2.gz QZCIXYZGRWKBQY-CHWSQXEVSA-N 1 1 322.365 -1.090 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 ZINC001082129436 678111786 /nfs/dbraw/zinc/11/17/86/678111786.db2.gz QMPAQSSXUAKJNP-WRWGMCAJSA-N 1 1 315.370 -1.519 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1nnc2c1CCCC2 ZINC001082141300 678111808 /nfs/dbraw/zinc/11/18/08/678111808.db2.gz GYNMFPCJRKMKFQ-TZMCWYRMSA-N 1 1 323.397 -1.035 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](OC)C1 ZINC001082196469 678112170 /nfs/dbraw/zinc/11/21/70/678112170.db2.gz MBPCTDSADVPKTN-RKDXNWHRSA-N 1 1 312.326 -1.758 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc(N(C)C)nn1 ZINC001082330171 678114526 /nfs/dbraw/zinc/11/45/26/678114526.db2.gz FUGZUWIIRNYSHY-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc(N(C)C)nn1 ZINC001082330171 678114527 /nfs/dbraw/zinc/11/45/27/678114527.db2.gz FUGZUWIIRNYSHY-VXGBXAGGSA-N 1 1 309.370 -1.036 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001082319743 678114703 /nfs/dbraw/zinc/11/47/03/678114703.db2.gz IHKHRNUHSHIHHY-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001082324561 678115157 /nfs/dbraw/zinc/11/51/57/678115157.db2.gz SFZZHBSCVXRDJO-OASPWFOLSA-N 1 1 309.370 -1.283 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001082351266 678115243 /nfs/dbraw/zinc/11/52/43/678115243.db2.gz LNOLUHPVVHBJBK-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001082351266 678115244 /nfs/dbraw/zinc/11/52/44/678115244.db2.gz LNOLUHPVVHBJBK-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001082324452 678115414 /nfs/dbraw/zinc/11/54/14/678115414.db2.gz OHSKDBWTSUHJKW-NXEZZACHSA-N 1 1 314.342 -2.312 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 ZINC001082362416 678115660 /nfs/dbraw/zinc/11/56/60/678115660.db2.gz DPJLQPGCIMGDJX-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1cncn1 ZINC001082358593 678115785 /nfs/dbraw/zinc/11/57/85/678115785.db2.gz ITZHEVAIMSVXDV-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001082358723 678115839 /nfs/dbraw/zinc/11/58/39/678115839.db2.gz OEAHCVIMIIXXTP-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368420 678116201 /nfs/dbraw/zinc/11/62/01/678116201.db2.gz AYRKADMPDWDRQW-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001082371092 678116405 /nfs/dbraw/zinc/11/64/05/678116405.db2.gz SMCGNDBVZYUXQD-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001082381216 678116702 /nfs/dbraw/zinc/11/67/02/678116702.db2.gz BCWLBEUFGLPSSB-MVWJERBFSA-N 1 1 322.365 -1.010 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)C1 ZINC001082379220 678116717 /nfs/dbraw/zinc/11/67/17/678116717.db2.gz NRBXNZBLPXXLQX-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)C1 ZINC001082379220 678116718 /nfs/dbraw/zinc/11/67/18/678116718.db2.gz NRBXNZBLPXXLQX-IJLUTSLNSA-N 1 1 314.386 -1.992 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001082389891 678116744 /nfs/dbraw/zinc/11/67/44/678116744.db2.gz NPTAIWDMVFCSOF-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001082389891 678116745 /nfs/dbraw/zinc/11/67/45/678116745.db2.gz NPTAIWDMVFCSOF-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001082401252 678117058 /nfs/dbraw/zinc/11/70/58/678117058.db2.gz HMEJAACYDUCQLX-HBNTYKKESA-N 1 1 313.354 -1.763 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001082397419 678117175 /nfs/dbraw/zinc/11/71/75/678117175.db2.gz ZMINGXWPFPHCIW-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001082395447 678117233 /nfs/dbraw/zinc/11/72/33/678117233.db2.gz CZMPKLVADQNWPV-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001082481732 678117699 /nfs/dbraw/zinc/11/76/99/678117699.db2.gz MYXZEHDRGZDHTP-GMTAPVOTSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082496928 678117714 /nfs/dbraw/zinc/11/77/14/678117714.db2.gz QTMWVITZGCNBCN-IWSPIJDZSA-N 1 1 309.330 -1.745 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)c1nnnn1C ZINC001082514097 678117984 /nfs/dbraw/zinc/11/79/84/678117984.db2.gz JLQUBPZBVWFKBA-KXUCPTDWSA-N 1 1 320.361 -1.606 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082684698 678118803 /nfs/dbraw/zinc/11/88/03/678118803.db2.gz LKHDBPWGRWKHPS-JLLWLGSASA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082684676 678118906 /nfs/dbraw/zinc/11/89/06/678118906.db2.gz KHOMFMANENUQCY-BBBLOLIVSA-N 1 1 322.373 -1.830 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082684588 678118981 /nfs/dbraw/zinc/11/89/81/678118981.db2.gz HBEDHIIQJFTTQQ-YUSALJHKSA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082714606 678119243 /nfs/dbraw/zinc/11/92/43/678119243.db2.gz RQGRZSIANUUCIP-IWSPIJDZSA-N 1 1 308.346 -2.172 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C)[nH]1 ZINC001082713602 678119270 /nfs/dbraw/zinc/11/92/70/678119270.db2.gz DHVZAUQJSSWWGC-SZEHBUNVSA-N 1 1 307.358 -1.269 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C)nn1 ZINC001082713845 678119280 /nfs/dbraw/zinc/11/92/80/678119280.db2.gz MGNPVNFGUUVHJF-ADEWGFFLSA-N 1 1 321.385 -1.084 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082692899 678119292 /nfs/dbraw/zinc/11/92/92/678119292.db2.gz XQYSWQCPFXNREB-GMTAPVOTSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)c1nnnn1C ZINC001082905689 678120084 /nfs/dbraw/zinc/12/00/84/678120084.db2.gz VEUTYFRNFYJWNJ-OUAUKWLOSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1[NH2+]CC(N)=O ZINC001082859033 678120132 /nfs/dbraw/zinc/12/01/32/678120132.db2.gz PNTBPHIKKPIWHP-VDDIYKPWSA-N 1 1 306.370 -1.169 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1[NH2+]CC(N)=O ZINC001082859033 678120134 /nfs/dbraw/zinc/12/01/34/678120134.db2.gz PNTBPHIKKPIWHP-VDDIYKPWSA-N 1 1 306.370 -1.169 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082923487 678120136 /nfs/dbraw/zinc/12/01/36/678120136.db2.gz LMOAOZFGFWXUKZ-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO O=C(C(F)F)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082972359 678120450 /nfs/dbraw/zinc/12/04/50/678120450.db2.gz XOFDUTVHQYWPBC-HRDYMLBCSA-N 1 1 317.292 -1.032 20 0 DAADMO O=C(C(F)F)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082972359 678120452 /nfs/dbraw/zinc/12/04/52/678120452.db2.gz XOFDUTVHQYWPBC-HRDYMLBCSA-N 1 1 317.292 -1.032 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCC3=O)[C@H]2C1 ZINC001082994789 678120609 /nfs/dbraw/zinc/12/06/09/678120609.db2.gz BHHBTZFHHVEWMJ-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083000413 678120896 /nfs/dbraw/zinc/12/08/96/678120896.db2.gz KYOQWZHRUIKYSG-FRRDWIJNSA-N 1 1 319.365 -1.317 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083000413 678120899 /nfs/dbraw/zinc/12/08/99/678120899.db2.gz KYOQWZHRUIKYSG-FRRDWIJNSA-N 1 1 319.365 -1.317 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COCCO3)[C@H]2C1 ZINC001083009532 678120938 /nfs/dbraw/zinc/12/09/38/678120938.db2.gz WQSKALWTLWRZJK-YNEHKIRRSA-N 1 1 300.355 -1.040 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COCCO3)[C@H]2C1 ZINC001083009532 678120941 /nfs/dbraw/zinc/12/09/41/678120941.db2.gz WQSKALWTLWRZJK-YNEHKIRRSA-N 1 1 300.355 -1.040 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083012635 678120948 /nfs/dbraw/zinc/12/09/48/678120948.db2.gz WJWJSRQNEUCWRB-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083012635 678120952 /nfs/dbraw/zinc/12/09/52/678120952.db2.gz WJWJSRQNEUCWRB-SDDRHHMPSA-N 1 1 305.338 -1.177 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083020233 678121206 /nfs/dbraw/zinc/12/12/06/678121206.db2.gz REBLOYSMLRCHSB-WCFLWFBJSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083020233 678121209 /nfs/dbraw/zinc/12/12/09/678121209.db2.gz REBLOYSMLRCHSB-WCFLWFBJSA-N 1 1 319.365 -1.166 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nccnc3N)[C@H]2C1 ZINC001083028286 678121359 /nfs/dbraw/zinc/12/13/59/678121359.db2.gz HOSIBNIDPYKALV-GARJFASQSA-N 1 1 307.354 -1.035 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3nccnc3N)[C@H]2C1 ZINC001083028286 678121363 /nfs/dbraw/zinc/12/13/63/678121363.db2.gz HOSIBNIDPYKALV-GARJFASQSA-N 1 1 307.354 -1.035 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083030192 678121381 /nfs/dbraw/zinc/12/13/81/678121381.db2.gz ZRZBKRMAFWUOSA-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083030191 678121472 /nfs/dbraw/zinc/12/14/72/678121472.db2.gz ZRZBKRMAFWUOSA-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083030706 678121701 /nfs/dbraw/zinc/12/17/01/678121701.db2.gz ZMROZLXBZJLQKH-OUAUKWLOSA-N 1 1 310.354 -1.948 20 0 DAADMO O=C(CN1CCOCC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083055145 678122093 /nfs/dbraw/zinc/12/20/93/678122093.db2.gz ZWMLBKJUHHEGJW-UONOGXRCSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083076599 678122159 /nfs/dbraw/zinc/12/21/59/678122159.db2.gz UWCDMCJFBHUJQA-GARJFASQSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083076599 678122163 /nfs/dbraw/zinc/12/21/63/678122163.db2.gz UWCDMCJFBHUJQA-GARJFASQSA-N 1 1 305.338 -1.177 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COCCN3C)[C@H]2C1 ZINC001083056040 678122336 /nfs/dbraw/zinc/12/23/36/678122336.db2.gz WRXFBCGTSITQHJ-BFHYXJOUSA-N 1 1 313.398 -1.125 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COCCN3C)[C@H]2C1 ZINC001083056040 678122337 /nfs/dbraw/zinc/12/23/37/678122337.db2.gz WRXFBCGTSITQHJ-BFHYXJOUSA-N 1 1 313.398 -1.125 20 0 DAADMO O=C(c1cnc2n1CCOC2)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083110762 678122551 /nfs/dbraw/zinc/12/25/51/678122551.db2.gz SYGNXZBUBYFZAO-QWHCGFSZSA-N 1 1 322.365 -1.069 20 0 DAADMO O=C(c1cnc2n1CCOC2)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083110762 678122554 /nfs/dbraw/zinc/12/25/54/678122554.db2.gz SYGNXZBUBYFZAO-QWHCGFSZSA-N 1 1 322.365 -1.069 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cc1=O ZINC001083109962 678122613 /nfs/dbraw/zinc/12/26/13/678122613.db2.gz DKYMVPQFVRNHJV-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cc1=O ZINC001083109962 678122615 /nfs/dbraw/zinc/12/26/15/678122615.db2.gz DKYMVPQFVRNHJV-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]32)C1 ZINC001083063650 678122734 /nfs/dbraw/zinc/12/27/34/678122734.db2.gz VOUFNQZVOVHPLR-LEWSCRJBSA-N 1 1 311.382 -1.243 20 0 DAADMO CN1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1=O ZINC001083115075 678122922 /nfs/dbraw/zinc/12/29/22/678122922.db2.gz OTTCFNCOGYLAIJ-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1=O ZINC001083115075 678122925 /nfs/dbraw/zinc/12/29/25/678122925.db2.gz OTTCFNCOGYLAIJ-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083083535 678122996 /nfs/dbraw/zinc/12/29/96/678122996.db2.gz ZVMQSLKEBKDYPK-OUAUKWLOSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083083535 678122998 /nfs/dbraw/zinc/12/29/98/678122998.db2.gz ZVMQSLKEBKDYPK-OUAUKWLOSA-N 1 1 321.341 -2.527 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)O1 ZINC001083119297 678123071 /nfs/dbraw/zinc/12/30/71/678123071.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 1 1 313.398 -1.391 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)O1 ZINC001083119297 678123074 /nfs/dbraw/zinc/12/30/74/678123074.db2.gz LNPYKOSINNDCDD-XJFOESAGSA-N 1 1 313.398 -1.391 20 0 DAADMO O=C(CO[C@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083080725 678123290 /nfs/dbraw/zinc/12/32/90/678123290.db2.gz CNHLJIILWACALF-RWMBFGLXSA-N 1 1 300.355 -1.304 20 0 DAADMO O=C(CO[C@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083080725 678123291 /nfs/dbraw/zinc/12/32/91/678123291.db2.gz CNHLJIILWACALF-RWMBFGLXSA-N 1 1 300.355 -1.304 20 0 DAADMO O=C(c1cccn2nnnc12)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083093501 678123484 /nfs/dbraw/zinc/12/34/84/678123484.db2.gz MJBFCIRWGVSRLA-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(c1cccn2nnnc12)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083093501 678123486 /nfs/dbraw/zinc/12/34/86/678123486.db2.gz MJBFCIRWGVSRLA-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083104297 678123552 /nfs/dbraw/zinc/12/35/52/678123552.db2.gz ZHHRESMHUWATOC-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 ZINC001083087605 678123567 /nfs/dbraw/zinc/12/35/67/678123567.db2.gz UBKLIYBFYPPXJL-VHSXEESVSA-N 1 1 308.342 -1.692 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085884 678123592 /nfs/dbraw/zinc/12/35/92/678123592.db2.gz RRNPQRAJAZOWKE-YIYPIFLZSA-N 1 1 324.425 -1.016 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083108914 678124029 /nfs/dbraw/zinc/12/40/29/678124029.db2.gz WQKHMLBNNFKLJP-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1=O ZINC001083160525 678124337 /nfs/dbraw/zinc/12/43/37/678124337.db2.gz GFOBYPLEKCHBAN-WDEREUQCSA-N 1 1 324.337 -1.997 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1=O ZINC001083160525 678124338 /nfs/dbraw/zinc/12/43/38/678124338.db2.gz GFOBYPLEKCHBAN-WDEREUQCSA-N 1 1 324.337 -1.997 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083138389 678124342 /nfs/dbraw/zinc/12/43/42/678124342.db2.gz VDHQOYBPFZEXGT-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083138389 678124343 /nfs/dbraw/zinc/12/43/43/678124343.db2.gz VDHQOYBPFZEXGT-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)ncc1=O ZINC001083148700 678124381 /nfs/dbraw/zinc/12/43/81/678124381.db2.gz AXLGVHFXCLXLHO-QWHCGFSZSA-N 1 1 322.365 -1.312 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)o1 ZINC001083137462 678124414 /nfs/dbraw/zinc/12/44/14/678124414.db2.gz BDUAVTDUJHBOGE-JOYOIKCWSA-N 1 1 309.322 -1.104 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)o1 ZINC001083137462 678124416 /nfs/dbraw/zinc/12/44/16/678124416.db2.gz BDUAVTDUJHBOGE-JOYOIKCWSA-N 1 1 309.322 -1.104 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083144086 678124428 /nfs/dbraw/zinc/12/44/28/678124428.db2.gz ORUVUMNVGUITEJ-NWDGAFQWSA-N 1 1 307.354 -1.412 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3ncn(C)c3=O)[C@H]2C1 ZINC001083152520 678124441 /nfs/dbraw/zinc/12/44/41/678124441.db2.gz KAHMMTKBMALFDX-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)co1 ZINC001083153394 678124506 /nfs/dbraw/zinc/12/45/06/678124506.db2.gz YMVHFSLKGYXCEM-CMPLNLGQSA-N 1 1 309.322 -1.104 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)co1 ZINC001083153394 678124509 /nfs/dbraw/zinc/12/45/09/678124509.db2.gz YMVHFSLKGYXCEM-CMPLNLGQSA-N 1 1 309.322 -1.104 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083132419 678124519 /nfs/dbraw/zinc/12/45/19/678124519.db2.gz VLOKRXRBGKKDBQ-QWHCGFSZSA-N 1 1 322.365 -1.359 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083132419 678124521 /nfs/dbraw/zinc/12/45/21/678124521.db2.gz VLOKRXRBGKKDBQ-QWHCGFSZSA-N 1 1 322.365 -1.359 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083161620 678124841 /nfs/dbraw/zinc/12/48/41/678124841.db2.gz LLPMAXJYBGEMMD-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083161620 678124843 /nfs/dbraw/zinc/12/48/43/678124843.db2.gz LLPMAXJYBGEMMD-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO COc1nn(C)cc1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083161901 678124876 /nfs/dbraw/zinc/12/48/76/678124876.db2.gz ZDGPULODEIDDCF-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO COc1nn(C)cc1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083161901 678124877 /nfs/dbraw/zinc/12/48/77/678124877.db2.gz ZDGPULODEIDDCF-NWDGAFQWSA-N 1 1 310.354 -1.054 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083166077 678124921 /nfs/dbraw/zinc/12/49/21/678124921.db2.gz ZLBCTWBVIMPEJB-LPEHRKFASA-N 1 1 321.341 -2.376 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083166077 678124923 /nfs/dbraw/zinc/12/49/23/678124923.db2.gz ZLBCTWBVIMPEJB-LPEHRKFASA-N 1 1 321.341 -2.376 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)NC1=O ZINC001083162745 678124933 /nfs/dbraw/zinc/12/49/33/678124933.db2.gz GHOHMCHTAIBFHA-SDDRHHMPSA-N 1 1 312.370 -1.696 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001083162703 678124939 /nfs/dbraw/zinc/12/49/39/678124939.db2.gz DNBUNKZVNXTXJE-GRYCIOLGSA-N 1 1 312.370 -1.432 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001083162703 678124940 /nfs/dbraw/zinc/12/49/40/678124940.db2.gz DNBUNKZVNXTXJE-GRYCIOLGSA-N 1 1 312.370 -1.432 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1=O ZINC001083168144 678124952 /nfs/dbraw/zinc/12/49/52/678124952.db2.gz NADOBAVXXZQQTP-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083168987 678125373 /nfs/dbraw/zinc/12/53/73/678125373.db2.gz XJMKPKGQTZBGJR-RWMBFGLXSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083172942 678125391 /nfs/dbraw/zinc/12/53/91/678125391.db2.gz KIDMDLURYYKKOC-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181678 678125697 /nfs/dbraw/zinc/12/56/97/678125697.db2.gz QWKYREHEESGCNL-SDDRHHMPSA-N 1 1 324.381 -1.607 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181678 678125698 /nfs/dbraw/zinc/12/56/98/678125698.db2.gz QWKYREHEESGCNL-SDDRHHMPSA-N 1 1 324.381 -1.607 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]21 ZINC001083182059 678125727 /nfs/dbraw/zinc/12/57/27/678125727.db2.gz LBDMNCMOEDBBOC-GRYCIOLGSA-N 1 1 323.353 -2.359 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]21 ZINC001083182059 678125729 /nfs/dbraw/zinc/12/57/29/678125729.db2.gz LBDMNCMOEDBBOC-GRYCIOLGSA-N 1 1 323.353 -2.359 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083181029 678125745 /nfs/dbraw/zinc/12/57/45/678125745.db2.gz LQEQWSSZKWQKED-XHNCKOQMSA-N 1 1 310.310 -2.812 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083181029 678125748 /nfs/dbraw/zinc/12/57/48/678125748.db2.gz LQEQWSSZKWQKED-XHNCKOQMSA-N 1 1 310.310 -2.812 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181677 678125885 /nfs/dbraw/zinc/12/58/85/678125885.db2.gz QWKYREHEESGCNL-GRYCIOLGSA-N 1 1 324.381 -1.607 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181677 678125886 /nfs/dbraw/zinc/12/58/86/678125886.db2.gz QWKYREHEESGCNL-GRYCIOLGSA-N 1 1 324.381 -1.607 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001065207106 678126015 /nfs/dbraw/zinc/12/60/15/678126015.db2.gz PLTABLUORHCYGY-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065253702 678126728 /nfs/dbraw/zinc/12/67/28/678126728.db2.gz MDRPYLNGCFTYEO-SNVBAGLBSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@@H+](CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001065271833 678126887 /nfs/dbraw/zinc/12/68/87/678126887.db2.gz YBFOAVFFBIYNSZ-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065352221 678128612 /nfs/dbraw/zinc/12/86/12/678128612.db2.gz VTGZYMMQDCOTKY-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065550446 678131239 /nfs/dbraw/zinc/13/12/39/678131239.db2.gz ALHGJDUVGNAIRE-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065550593 678131398 /nfs/dbraw/zinc/13/13/98/678131398.db2.gz LHIQCVFSDPNXSW-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551925 678131940 /nfs/dbraw/zinc/13/19/40/678131940.db2.gz CPLWVEHYBHSZKH-JTQLQIEISA-N 1 1 314.386 -1.454 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(c2ncccn2)C[C@@H]1O ZINC001065577954 678134108 /nfs/dbraw/zinc/13/41/08/678134108.db2.gz RGWAUXSAXQLSFG-AVGNSLFASA-N 1 1 321.381 -1.185 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(c2ncccn2)C[C@@H]1O ZINC001065577954 678134111 /nfs/dbraw/zinc/13/41/11/678134111.db2.gz RGWAUXSAXQLSFG-AVGNSLFASA-N 1 1 321.381 -1.185 20 0 DAADMO CCc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001065619103 678134666 /nfs/dbraw/zinc/13/46/66/678134666.db2.gz PEDNZSURQXDQAS-QWRGUYRKSA-N 1 1 307.354 -1.159 20 0 DAADMO CCc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001065619180 678134795 /nfs/dbraw/zinc/13/47/95/678134795.db2.gz SWZHXZGICMJDKU-UWVGGRQHSA-N 1 1 307.354 -1.159 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065620475 678135088 /nfs/dbraw/zinc/13/50/88/678135088.db2.gz FLACLYLYLUJUCM-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065620474 678135104 /nfs/dbraw/zinc/13/51/04/678135104.db2.gz FLACLYLYLUJUCM-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001065642910 678135320 /nfs/dbraw/zinc/13/53/20/678135320.db2.gz YWVWPABDUAMESM-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072099717 678152382 /nfs/dbraw/zinc/15/23/82/678152382.db2.gz WKVQBVISTMDBDT-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCCO ZINC001072099930 678152629 /nfs/dbraw/zinc/15/26/29/678152629.db2.gz ZLLQDVAGMBFIHW-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072162018 678153618 /nfs/dbraw/zinc/15/36/18/678153618.db2.gz UIVWMNIJXRFULU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072162020 678153795 /nfs/dbraw/zinc/15/37/95/678153795.db2.gz UIVWMNIJXRFULU-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072227251 678153950 /nfs/dbraw/zinc/15/39/50/678153950.db2.gz AUXOJOFWGQPKPE-VHSXEESVSA-N 1 1 309.374 -1.340 20 0 DAADMO C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072227252 678154013 /nfs/dbraw/zinc/15/40/13/678154013.db2.gz AUXOJOFWGQPKPE-ZJUUUORDSA-N 1 1 309.374 -1.340 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC001072283339 678155334 /nfs/dbraw/zinc/15/53/34/678155334.db2.gz QVXASCASMZCNTP-RYUDHWBXSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 ZINC001072282354 678155418 /nfs/dbraw/zinc/15/54/18/678155418.db2.gz DNSVHAGVTHGONX-MNOVXSKESA-N 1 1 313.402 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 ZINC001072401732 678156409 /nfs/dbraw/zinc/15/64/09/678156409.db2.gz QVFDZDUKIFXMCX-ONGXEEELSA-N 1 1 322.369 -1.177 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451773 678156746 /nfs/dbraw/zinc/15/67/46/678156746.db2.gz SKYKAIIEDIHHCC-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072450893 678156827 /nfs/dbraw/zinc/15/68/27/678156827.db2.gz BOQWSNYAXQLPNC-UHFFFAOYSA-N 1 1 319.369 -1.560 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072450909 678156974 /nfs/dbraw/zinc/15/69/74/678156974.db2.gz CEDUDSCHSDNMGU-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072451767 678156993 /nfs/dbraw/zinc/15/69/93/678156993.db2.gz SCUDAIABQSHHAL-JTQLQIEISA-N 1 1 305.342 -1.904 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072478749 678157325 /nfs/dbraw/zinc/15/73/25/678157325.db2.gz MXJQZROSEMNRKL-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072491725 678157363 /nfs/dbraw/zinc/15/73/63/678157363.db2.gz DUFOFHGRWAQFKN-RYUDHWBXSA-N 1 1 309.366 -1.175 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC001072478535 678157418 /nfs/dbraw/zinc/15/74/18/678157418.db2.gz KSALKBSGBODVJU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072548343 678158578 /nfs/dbraw/zinc/15/85/78/678158578.db2.gz XMSNBGMEEBGQER-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072580735 678158893 /nfs/dbraw/zinc/15/88/93/678158893.db2.gz ISIBUORHCLPAQE-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001072615190 678159488 /nfs/dbraw/zinc/15/94/88/678159488.db2.gz FZNUVICVTCUZFS-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(CN1CCOCC1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072630845 678160062 /nfs/dbraw/zinc/16/00/62/678160062.db2.gz CCYCSKVWVDFHHQ-ZDUSSCGKSA-N 1 1 322.409 -1.259 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072645519 678161454 /nfs/dbraw/zinc/16/14/54/678161454.db2.gz MGHXGGNSFQUYAS-QWHCGFSZSA-N 1 1 322.409 -1.260 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072645517 678161467 /nfs/dbraw/zinc/16/14/67/678161467.db2.gz MGHXGGNSFQUYAS-CHWSQXEVSA-N 1 1 322.409 -1.260 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645158 678161544 /nfs/dbraw/zinc/16/15/44/678161544.db2.gz COBIMIZVHSKNQU-NWDGAFQWSA-N 1 1 310.398 -1.275 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(N)=O)C3)C1 ZINC001072667346 678161968 /nfs/dbraw/zinc/16/19/68/678161968.db2.gz JYMMTVOHUHNHIO-JTQLQIEISA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647890 678161978 /nfs/dbraw/zinc/16/19/78/678161978.db2.gz FCQWMTRDLYKBGD-JTQLQIEISA-N 1 1 322.369 -1.348 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072667292 678162064 /nfs/dbraw/zinc/16/20/64/678162064.db2.gz GVJXIUJVZPYVNF-ZDUSSCGKSA-N 1 1 320.393 -1.113 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCNC2=O)C3)n1 ZINC001072702118 678162334 /nfs/dbraw/zinc/16/23/34/678162334.db2.gz CYSXWECKMPFCFY-SNVBAGLBSA-N 1 1 304.354 -1.149 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)n1 ZINC001072702118 678162338 /nfs/dbraw/zinc/16/23/38/678162338.db2.gz CYSXWECKMPFCFY-SNVBAGLBSA-N 1 1 304.354 -1.149 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686341 678162555 /nfs/dbraw/zinc/16/25/55/678162555.db2.gz JTKHAJUFBRXEAH-NSHDSACASA-N 1 1 320.353 -1.042 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686341 678162557 /nfs/dbraw/zinc/16/25/57/678162557.db2.gz JTKHAJUFBRXEAH-NSHDSACASA-N 1 1 320.353 -1.042 20 0 DAADMO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1)NC1CC1 ZINC001072686479 678162596 /nfs/dbraw/zinc/16/25/96/678162596.db2.gz NIPIHJCOLAWBEH-LLVKDONJSA-N 1 1 322.365 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1)NC1CC1 ZINC001072686479 678162597 /nfs/dbraw/zinc/16/25/97/678162597.db2.gz NIPIHJCOLAWBEH-LLVKDONJSA-N 1 1 322.365 -1.092 20 0 DAADMO NC(=O)CN1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760977 678163558 /nfs/dbraw/zinc/16/35/58/678163558.db2.gz XJHZGHIUEFIAPA-CHWSQXEVSA-N 1 1 322.409 -1.131 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC001072777150 678163882 /nfs/dbraw/zinc/16/38/82/678163882.db2.gz ZFEOPJHDXBMIJL-JTQLQIEISA-N 1 1 302.396 -1.054 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001072824982 678164919 /nfs/dbraw/zinc/16/49/19/678164919.db2.gz ONRBOEOVKOHUCK-SNVBAGLBSA-N 1 1 319.365 -1.198 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818202 678164961 /nfs/dbraw/zinc/16/49/61/678164961.db2.gz OZEAIVOOACVXQR-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818365 678165025 /nfs/dbraw/zinc/16/50/25/678165025.db2.gz XXPJIKSXMVGTCX-LBPRGKRZSA-N 1 1 311.382 -1.240 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001072831515 678165073 /nfs/dbraw/zinc/16/50/73/678165073.db2.gz RJPJCDQWCMCJPP-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC001072838204 678165093 /nfs/dbraw/zinc/16/50/93/678165093.db2.gz BYNWDFVDUDZUPZ-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC001072838204 678165094 /nfs/dbraw/zinc/16/50/94/678165094.db2.gz BYNWDFVDUDZUPZ-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072867326 678165477 /nfs/dbraw/zinc/16/54/77/678165477.db2.gz ADWICLWIKZUUPR-UHFFFAOYSA-N 1 1 324.425 -1.059 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884222 678165505 /nfs/dbraw/zinc/16/55/05/678165505.db2.gz OGRVLFKFPJKCMR-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884222 678165507 /nfs/dbraw/zinc/16/55/07/678165507.db2.gz OGRVLFKFPJKCMR-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1=O ZINC001072865010 678165623 /nfs/dbraw/zinc/16/56/23/678165623.db2.gz ZWYJBKAXQMIAKH-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1=O ZINC001072865010 678165625 /nfs/dbraw/zinc/16/56/25/678165625.db2.gz ZWYJBKAXQMIAKH-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CCN(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1=O ZINC001072874683 678165722 /nfs/dbraw/zinc/16/57/22/678165722.db2.gz CYQXUDUAXWYSGG-UHFFFAOYSA-N 1 1 323.397 -2.220 20 0 DAADMO CN1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1=O ZINC001072874683 678165724 /nfs/dbraw/zinc/16/57/24/678165724.db2.gz CYQXUDUAXWYSGG-UHFFFAOYSA-N 1 1 323.397 -2.220 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1=O ZINC001072865009 678165754 /nfs/dbraw/zinc/16/57/54/678165754.db2.gz ZWYJBKAXQMIAKH-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1=O ZINC001072865009 678165756 /nfs/dbraw/zinc/16/57/56/678165756.db2.gz ZWYJBKAXQMIAKH-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072886157 678165763 /nfs/dbraw/zinc/16/57/63/678165763.db2.gz IDPHYOILBXKZER-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072886154 678165779 /nfs/dbraw/zinc/16/57/79/678165779.db2.gz IDPHYOILBXKZER-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC(=O)NC1 ZINC001072908965 678166098 /nfs/dbraw/zinc/16/60/98/678166098.db2.gz FCTUUSFBNIJGSO-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC(=O)NC1 ZINC001072908965 678166100 /nfs/dbraw/zinc/16/61/00/678166100.db2.gz FCTUUSFBNIJGSO-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)C1 ZINC001072922438 678166201 /nfs/dbraw/zinc/16/62/01/678166201.db2.gz OIWUHRUFDKDBDG-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)(NC(=O)C(N)=O)CC2)C1 ZINC001072922438 678166203 /nfs/dbraw/zinc/16/62/03/678166203.db2.gz OIWUHRUFDKDBDG-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072929837 678166233 /nfs/dbraw/zinc/16/62/33/678166233.db2.gz VXNDLEGTMUDMLL-UWVGGRQHSA-N 1 1 307.354 -1.909 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1)N1CCC1 ZINC001072932915 678166597 /nfs/dbraw/zinc/16/65/97/678166597.db2.gz ZEWJTJPMYNLZMH-NSHDSACASA-N 1 1 321.381 -1.566 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072938465 678166601 /nfs/dbraw/zinc/16/66/01/678166601.db2.gz WCKREDKLADMXPS-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072932135 678166641 /nfs/dbraw/zinc/16/66/41/678166641.db2.gz PEFRMHYFFNBHSG-QWRGUYRKSA-N 1 1 323.397 -1.321 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CCOCC1)C2 ZINC001072934521 678166671 /nfs/dbraw/zinc/16/66/71/678166671.db2.gz JAPASFPPTDPHFZ-UHFFFAOYSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC001072934521 678166673 /nfs/dbraw/zinc/16/66/73/678166673.db2.gz JAPASFPPTDPHFZ-UHFFFAOYSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001072936204 678166786 /nfs/dbraw/zinc/16/67/86/678166786.db2.gz UXPSUJKHRMRTLU-SNVBAGLBSA-N 1 1 306.366 -1.325 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931335 678166822 /nfs/dbraw/zinc/16/68/22/678166822.db2.gz COSGBVFYVYQNBA-ZJUUUORDSA-N 1 1 309.370 -1.663 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001072936125 678166849 /nfs/dbraw/zinc/16/68/49/678166849.db2.gz QWJPQNZKVAOPEA-SNVBAGLBSA-N 1 1 315.395 -1.559 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)CCNC1=O ZINC001072975347 678167150 /nfs/dbraw/zinc/16/71/50/678167150.db2.gz GIKCVXTTZZQNNZ-ABAIWWIYSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986100 678167165 /nfs/dbraw/zinc/16/71/65/678167165.db2.gz JPSIYOJJDQUEBY-MXWKQRLJSA-N 1 1 308.382 -1.223 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986391 678167211 /nfs/dbraw/zinc/16/72/11/678167211.db2.gz UJPXDQQAEGVQSQ-OUAUKWLOSA-N 1 1 308.382 -1.094 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)C1=O ZINC001072986227 678167298 /nfs/dbraw/zinc/16/72/98/678167298.db2.gz MJODDGOIFHPMEG-WOPDTQHZSA-N 1 1 320.393 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001073053299 678167638 /nfs/dbraw/zinc/16/76/38/678167638.db2.gz DIGJGLCIRLLFON-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC001073053299 678167641 /nfs/dbraw/zinc/16/76/41/678167641.db2.gz DIGJGLCIRLLFON-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C2)C1 ZINC001073028360 678167723 /nfs/dbraw/zinc/16/77/23/678167723.db2.gz KMIIDRKMHPVPRF-UHFFFAOYSA-N 1 1 308.338 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001072987726 678167795 /nfs/dbraw/zinc/16/77/95/678167795.db2.gz YAIZVWXDLAFHRT-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC001072987726 678167798 /nfs/dbraw/zinc/16/77/98/678167798.db2.gz YAIZVWXDLAFHRT-UHFFFAOYSA-N 1 1 305.338 -1.253 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077014 678168152 /nfs/dbraw/zinc/16/81/52/678168152.db2.gz BASDZNSREBGZGJ-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(c1nc[nH]n1)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001073067093 678168184 /nfs/dbraw/zinc/16/81/84/678168184.db2.gz BCJDWBHPCPWCBG-UHFFFAOYSA-N 1 1 319.369 -1.022 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060948 678168207 /nfs/dbraw/zinc/16/82/07/678168207.db2.gz RTPFYGNZGKQMPR-SNVBAGLBSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073057080 678168254 /nfs/dbraw/zinc/16/82/54/678168254.db2.gz HPNJTVFTHBUCHI-UHFFFAOYSA-N 1 1 309.366 -1.044 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060904 678168367 /nfs/dbraw/zinc/16/83/67/678168367.db2.gz QASUJWMBJOVMHF-SECBINFHSA-N 1 1 323.353 -2.054 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073113595 678168757 /nfs/dbraw/zinc/16/87/57/678168757.db2.gz RUGSGCKOIPCIET-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073113595 678168758 /nfs/dbraw/zinc/16/87/58/678168758.db2.gz RUGSGCKOIPCIET-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073113596 678168770 /nfs/dbraw/zinc/16/87/70/678168770.db2.gz RUGSGCKOIPCIET-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073113596 678168772 /nfs/dbraw/zinc/16/87/72/678168772.db2.gz RUGSGCKOIPCIET-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1=O ZINC001073402181 678170585 /nfs/dbraw/zinc/17/05/85/678170585.db2.gz CPZIDWAPEJLKNF-UHFFFAOYSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001073409222 678170594 /nfs/dbraw/zinc/17/05/94/678170594.db2.gz YSFKIMHXPPMLGD-UHFFFAOYSA-N 1 1 319.365 -1.326 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001073409222 678170597 /nfs/dbraw/zinc/17/05/97/678170597.db2.gz YSFKIMHXPPMLGD-UHFFFAOYSA-N 1 1 319.365 -1.326 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1=O ZINC001073412213 678170602 /nfs/dbraw/zinc/17/06/02/678170602.db2.gz GKMRGYWUXIVYCR-UHFFFAOYSA-N 1 1 310.354 -1.593 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001073408783 678170662 /nfs/dbraw/zinc/17/06/62/678170662.db2.gz JKQOYLLJRRRLSO-JTQLQIEISA-N 1 1 319.365 -1.198 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3ccc(=O)n(C)n3)C2)C1 ZINC001073408784 678170762 /nfs/dbraw/zinc/17/07/62/678170762.db2.gz JKQOYLLJRRRLSO-SNVBAGLBSA-N 1 1 319.365 -1.198 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073408240 678170773 /nfs/dbraw/zinc/17/07/73/678170773.db2.gz IUPYFFZPPBFOQY-UHFFFAOYSA-N 1 1 306.370 -1.099 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3NC(=O)NC3=O)C2)C1 ZINC001073412391 678171189 /nfs/dbraw/zinc/17/11/89/678171189.db2.gz OEFXSUFKLPCTAK-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412483 678171283 /nfs/dbraw/zinc/17/12/83/678171283.db2.gz SHZYPQRPRHWWNV-UHFFFAOYSA-N 1 1 310.354 -1.281 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)c(=O)[nH]c1=O ZINC001073425081 678171320 /nfs/dbraw/zinc/17/13/20/678171320.db2.gz APDVNAAITMLSAK-UHFFFAOYSA-N 1 1 321.337 -1.881 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)c(=O)[nH]c1=O ZINC001073425081 678171322 /nfs/dbraw/zinc/17/13/22/678171322.db2.gz APDVNAAITMLSAK-UHFFFAOYSA-N 1 1 321.337 -1.881 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439134 678171428 /nfs/dbraw/zinc/17/14/28/678171428.db2.gz LOLMJZKOUQKFRM-NSHDSACASA-N 1 1 317.411 -1.141 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001073454862 678171584 /nfs/dbraw/zinc/17/15/84/678171584.db2.gz TUPDOSDLMLUKEH-LLVKDONJSA-N 1 1 318.381 -1.140 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC001073454862 678171587 /nfs/dbraw/zinc/17/15/87/678171587.db2.gz TUPDOSDLMLUKEH-LLVKDONJSA-N 1 1 318.381 -1.140 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001073450949 678171680 /nfs/dbraw/zinc/17/16/80/678171680.db2.gz OEVDIUOQLGFIRO-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC001073450949 678171681 /nfs/dbraw/zinc/17/16/81/678171681.db2.gz OEVDIUOQLGFIRO-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001073469756 678172089 /nfs/dbraw/zinc/17/20/89/678172089.db2.gz HWTXOGUKSLEWBL-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC001073469756 678172092 /nfs/dbraw/zinc/17/20/92/678172092.db2.gz HWTXOGUKSLEWBL-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)N1CCOCC1 ZINC001073494061 678172117 /nfs/dbraw/zinc/17/21/17/678172117.db2.gz XQCMNXMIQGHHTK-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)N1CCOCC1 ZINC001073494061 678172118 /nfs/dbraw/zinc/17/21/18/678172118.db2.gz XQCMNXMIQGHHTK-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073491914 678172165 /nfs/dbraw/zinc/17/21/65/678172165.db2.gz MTRLVRQOFNEUOS-VHSXEESVSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001073492149 678172223 /nfs/dbraw/zinc/17/22/23/678172223.db2.gz WXDFZVHCQBTCCL-WDEREUQCSA-N 1 1 309.366 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073492147 678172236 /nfs/dbraw/zinc/17/22/36/678172236.db2.gz WXDFZVHCQBTCCL-MNOVXSKESA-N 1 1 309.366 -1.046 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526761 678172635 /nfs/dbraw/zinc/17/26/35/678172635.db2.gz KLRNFOQDQZTMPN-JTQLQIEISA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526761 678172638 /nfs/dbraw/zinc/17/26/38/678172638.db2.gz KLRNFOQDQZTMPN-JTQLQIEISA-N 1 1 323.353 -1.251 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001073497237 678172789 /nfs/dbraw/zinc/17/27/89/678172789.db2.gz GEXZXEBJAPXZJB-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC001073497237 678172790 /nfs/dbraw/zinc/17/27/90/678172790.db2.gz GEXZXEBJAPXZJB-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561728 678173080 /nfs/dbraw/zinc/17/30/80/678173080.db2.gz AUIXMOBRPWYAEI-UWVGGRQHSA-N 1 1 322.369 -1.247 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561728 678173082 /nfs/dbraw/zinc/17/30/82/678173082.db2.gz AUIXMOBRPWYAEI-UWVGGRQHSA-N 1 1 322.369 -1.247 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073578788 678173928 /nfs/dbraw/zinc/17/39/28/678173928.db2.gz WGGQXXVEUYIGIF-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564084 678173978 /nfs/dbraw/zinc/17/39/78/678173978.db2.gz QKEFCVYYOAKRSX-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588035 678174593 /nfs/dbraw/zinc/17/45/93/678174593.db2.gz YAFTTYJJYZLJHG-GHMZBOCLSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588035 678174595 /nfs/dbraw/zinc/17/45/95/678174595.db2.gz YAFTTYJJYZLJHG-GHMZBOCLSA-N 1 1 324.385 -1.100 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073590063 678174699 /nfs/dbraw/zinc/17/46/99/678174699.db2.gz WROWSJLMETWPMP-WDEREUQCSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073590063 678174701 /nfs/dbraw/zinc/17/47/01/678174701.db2.gz WROWSJLMETWPMP-WDEREUQCSA-N 1 1 322.369 -1.476 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590094 678174744 /nfs/dbraw/zinc/17/47/44/678174744.db2.gz XEYGDCPOLAVLCC-VHSXEESVSA-N 1 1 310.358 -1.490 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590094 678174745 /nfs/dbraw/zinc/17/47/45/678174745.db2.gz XEYGDCPOLAVLCC-VHSXEESVSA-N 1 1 310.358 -1.490 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593183 678175247 /nfs/dbraw/zinc/17/52/47/678175247.db2.gz HWRXJKASNKFXLU-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593183 678175248 /nfs/dbraw/zinc/17/52/48/678175248.db2.gz HWRXJKASNKFXLU-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593469 678175294 /nfs/dbraw/zinc/17/52/94/678175294.db2.gz OUQZHPGSMWNATA-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593469 678175295 /nfs/dbraw/zinc/17/52/95/678175295.db2.gz OUQZHPGSMWNATA-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)nn1 ZINC001073591861 678175370 /nfs/dbraw/zinc/17/53/70/678175370.db2.gz RRQQSUSTGANGKO-CMPLNLGQSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)nn1 ZINC001073591861 678175371 /nfs/dbraw/zinc/17/53/71/678175371.db2.gz RRQQSUSTGANGKO-CMPLNLGQSA-N 1 1 322.369 -1.476 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591947 678175482 /nfs/dbraw/zinc/17/54/82/678175482.db2.gz UYMKKKQUWVUSSE-CMPLNLGQSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591947 678175485 /nfs/dbraw/zinc/17/54/85/678175485.db2.gz UYMKKKQUWVUSSE-CMPLNLGQSA-N 1 1 324.385 -1.100 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCCO1)C1CS(=O)(=O)C1 ZINC001073620938 678175900 /nfs/dbraw/zinc/17/59/00/678175900.db2.gz RPRZTGUCIQUEKV-LBPRGKRZSA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)C1CS(=O)(=O)C1 ZINC001073620938 678175902 /nfs/dbraw/zinc/17/59/02/678175902.db2.gz RPRZTGUCIQUEKV-LBPRGKRZSA-N 1 1 320.411 -1.380 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642024 678176422 /nfs/dbraw/zinc/17/64/22/678176422.db2.gz GRQWYVNCMPBGGB-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)cc1=O ZINC001073642911 678176450 /nfs/dbraw/zinc/17/64/50/678176450.db2.gz XXKJKTZBHLSOGK-GFCCVEGCSA-N 1 1 324.381 -1.017 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654253 678176481 /nfs/dbraw/zinc/17/64/81/678176481.db2.gz COPSKUVFEWMXGY-ZJUUUORDSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654253 678176483 /nfs/dbraw/zinc/17/64/83/678176483.db2.gz COPSKUVFEWMXGY-ZJUUUORDSA-N 1 1 323.353 -1.123 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)c1ccc2nnnn2c1 ZINC001073693540 678177814 /nfs/dbraw/zinc/17/78/14/678177814.db2.gz DZGTUUYOAYIEOS-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703780 678177936 /nfs/dbraw/zinc/17/79/36/678177936.db2.gz XRTRTKNEIWOSBA-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)ncc1=O ZINC001073703498 678178005 /nfs/dbraw/zinc/17/80/05/678178005.db2.gz PUUZQPAENWDKPZ-LBPRGKRZSA-N 1 1 324.381 -1.017 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073722825 678178423 /nfs/dbraw/zinc/17/84/23/678178423.db2.gz SUAISMCJTDIQHC-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073722825 678178427 /nfs/dbraw/zinc/17/84/27/678178427.db2.gz SUAISMCJTDIQHC-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748113 678178978 /nfs/dbraw/zinc/17/89/78/678178978.db2.gz BHCMGAHBRBJIFR-UWVGGRQHSA-N 1 1 323.353 -1.536 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748113 678178980 /nfs/dbraw/zinc/17/89/80/678178980.db2.gz BHCMGAHBRBJIFR-UWVGGRQHSA-N 1 1 323.353 -1.536 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733820 678178988 /nfs/dbraw/zinc/17/89/88/678178988.db2.gz KJAGCINRSDRGQO-DGTMBMJNSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733820 678178990 /nfs/dbraw/zinc/17/89/90/678178990.db2.gz KJAGCINRSDRGQO-DGTMBMJNSA-N 1 1 323.393 -1.026 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073733804 678179342 /nfs/dbraw/zinc/17/93/42/678179342.db2.gz KDQCOUUMSNITIW-NXEZZACHSA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073733804 678179345 /nfs/dbraw/zinc/17/93/45/678179345.db2.gz KDQCOUUMSNITIW-NXEZZACHSA-N 1 1 323.357 -2.081 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073769423 678179740 /nfs/dbraw/zinc/17/97/40/678179740.db2.gz GZDIDTCOZPZUBW-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073772531 678179934 /nfs/dbraw/zinc/17/99/34/678179934.db2.gz QVOUZPYFMLNQOK-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCF)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073796191 678180054 /nfs/dbraw/zinc/18/00/54/678180054.db2.gz KKDBPPJIUAVMPW-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCF)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073796191 678180056 /nfs/dbraw/zinc/18/00/56/678180056.db2.gz KKDBPPJIUAVMPW-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073798373 678180591 /nfs/dbraw/zinc/18/05/91/678180591.db2.gz DSMSGKGXOWOCKB-UWVGGRQHSA-N 1 1 314.342 -2.216 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1)c1nnc[nH]1 ZINC001073825368 678180946 /nfs/dbraw/zinc/18/09/46/678180946.db2.gz LELWJKCRIWIPKF-NSHDSACASA-N 1 1 320.357 -1.083 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896322 678182879 /nfs/dbraw/zinc/18/28/79/678182879.db2.gz PUQRQXOXAWKZEU-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)ccc1=O ZINC001073880848 678183028 /nfs/dbraw/zinc/18/30/28/678183028.db2.gz VKPYYYUPUNWVNG-GFCCVEGCSA-N 1 1 324.381 -1.017 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073895815 678183104 /nfs/dbraw/zinc/18/31/04/678183104.db2.gz CBAJHGHFACAMPF-NSHDSACASA-N 1 1 322.365 -1.007 20 0 DAADMO CNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886548 678183242 /nfs/dbraw/zinc/18/32/42/678183242.db2.gz RCWRWYWFMULOMG-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073908417 678183654 /nfs/dbraw/zinc/18/36/54/678183654.db2.gz KPMNUZWUWDHYIE-RYUDHWBXSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)nc1 ZINC001073905334 678183696 /nfs/dbraw/zinc/18/36/96/678183696.db2.gz CAHLCEDETKLHDF-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073914899 678184297 /nfs/dbraw/zinc/18/42/97/678184297.db2.gz IHBSKMWVZLIYIH-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC001074015954 678185315 /nfs/dbraw/zinc/18/53/15/678185315.db2.gz YMDXYEPHOJMSLY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242378 678189152 /nfs/dbraw/zinc/18/91/52/678189152.db2.gz WDIBLRILRXXLTI-VXGBXAGGSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242378 678189154 /nfs/dbraw/zinc/18/91/54/678189154.db2.gz WDIBLRILRXXLTI-VXGBXAGGSA-N 1 1 310.358 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001074282962 678190387 /nfs/dbraw/zinc/19/03/87/678190387.db2.gz VQBROPONKYIXRJ-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001074282962 678190389 /nfs/dbraw/zinc/19/03/89/678190389.db2.gz VQBROPONKYIXRJ-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001074314930 678190977 /nfs/dbraw/zinc/19/09/77/678190977.db2.gz NDUZZFRMCLWLSR-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001074314930 678190983 /nfs/dbraw/zinc/19/09/83/678190983.db2.gz NDUZZFRMCLWLSR-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 ZINC001074407092 678193978 /nfs/dbraw/zinc/19/39/78/678193978.db2.gz ARBRWJDSMCVLHW-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074520491 678196388 /nfs/dbraw/zinc/19/63/88/678196388.db2.gz WTCQZLBVFHIOCM-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)c1nnnn1C ZINC001074654522 678199470 /nfs/dbraw/zinc/19/94/70/678199470.db2.gz WUMBSFQPVGPYDY-GUBZILKMSA-N 1 1 320.361 -1.463 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074691177 678200479 /nfs/dbraw/zinc/20/04/79/678200479.db2.gz LVUUEDWMYDIWNZ-HGNGGELXSA-N 1 1 322.325 -1.253 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702701 678202282 /nfs/dbraw/zinc/20/22/82/678202282.db2.gz JPKRXSJWOWRELW-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798443 678204490 /nfs/dbraw/zinc/20/44/90/678204490.db2.gz LMQASIAXYYHAFV-DLOVCJGASA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074844438 678205498 /nfs/dbraw/zinc/20/54/98/678205498.db2.gz CCZWJUWJXBVDIO-LSJOCFKGSA-N 1 1 307.358 -1.425 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074844761 678205706 /nfs/dbraw/zinc/20/57/06/678205706.db2.gz WZYVCMAXBAMASN-LSJOCFKGSA-N 1 1 307.358 -1.425 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)C1 ZINC001041122241 678215996 /nfs/dbraw/zinc/21/59/96/678215996.db2.gz UEWADQWQJFBQHC-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001019391906 678215981 /nfs/dbraw/zinc/21/59/81/678215981.db2.gz SELFBNGBFRJIJA-AXFHLTTASA-N 1 1 321.385 -1.105 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC3CC3)C2)C1 ZINC001041122241 678215993 /nfs/dbraw/zinc/21/59/93/678215993.db2.gz UEWADQWQJFBQHC-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)F)C2)C1 ZINC001041124775 678216567 /nfs/dbraw/zinc/21/65/67/678216567.db2.gz OKEOGLMJWNQVGQ-JTQLQIEISA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(C)(C)F)C2)C1 ZINC001041124775 678216571 /nfs/dbraw/zinc/21/65/71/678216571.db2.gz OKEOGLMJWNQVGQ-JTQLQIEISA-N 1 1 317.361 -1.245 20 0 DAADMO Cn1cncc1CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019655542 678217569 /nfs/dbraw/zinc/21/75/69/678217569.db2.gz UAVZFCJMAKUFJC-JTQLQIEISA-N 1 1 304.358 -1.123 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001019645741 678217586 /nfs/dbraw/zinc/21/75/86/678217586.db2.gz RNIYCHIOWLBKPV-VIFPVBQESA-N 1 1 322.325 -1.346 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)c1=O ZINC001020327423 678218049 /nfs/dbraw/zinc/21/80/49/678218049.db2.gz CEOAZIKTZLTJHR-KYZUINATSA-N 1 1 321.345 -2.458 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001020327484 678218140 /nfs/dbraw/zinc/21/81/40/678218140.db2.gz FHDNJXKLQGUNSS-KYZUINATSA-N 1 1 307.314 -1.598 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001020194195 678218152 /nfs/dbraw/zinc/21/81/52/678218152.db2.gz DVJKZFQKJVKJAI-MGCOHNPYSA-N 1 1 313.383 -1.404 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020329954 678218765 /nfs/dbraw/zinc/21/87/65/678218765.db2.gz CRGGMFBNJGHDND-IJLUTSLNSA-N 1 1 323.401 -1.332 20 0 DAADMO CC(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001038544502 678219138 /nfs/dbraw/zinc/21/91/38/678219138.db2.gz TZEMPTLJQMWPKV-QWRGUYRKSA-N 1 1 317.411 -1.254 20 0 DAADMO CC(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001038544502 678219142 /nfs/dbraw/zinc/21/91/42/678219142.db2.gz TZEMPTLJQMWPKV-QWRGUYRKSA-N 1 1 317.411 -1.254 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038622523 678219978 /nfs/dbraw/zinc/21/99/78/678219978.db2.gz MSJONKUVSQLLDH-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038622523 678219982 /nfs/dbraw/zinc/21/99/82/678219982.db2.gz MSJONKUVSQLLDH-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCCO)c1cc(=O)n2[nH]cnc2n1 ZINC001038921471 678221038 /nfs/dbraw/zinc/22/10/38/678221038.db2.gz LXYYWWFSWFBAMP-SECBINFHSA-N 1 1 306.326 -1.396 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001038921642 678221069 /nfs/dbraw/zinc/22/10/69/678221069.db2.gz MUCCTODIACCASD-BDAKNGLRSA-N 1 1 306.326 -1.398 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039043824 678221169 /nfs/dbraw/zinc/22/11/69/678221169.db2.gz OCFVCCSSROUDFI-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039897 678221230 /nfs/dbraw/zinc/22/12/30/678221230.db2.gz QDFDAFCBYARJSU-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039897 678221231 /nfs/dbraw/zinc/22/12/31/678221231.db2.gz QDFDAFCBYARJSU-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001038921649 678221250 /nfs/dbraw/zinc/22/12/50/678221250.db2.gz MUCCTODIACCASD-DTWKUNHWSA-N 1 1 306.326 -1.398 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039894 678221295 /nfs/dbraw/zinc/22/12/95/678221295.db2.gz QDFDAFCBYARJSU-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)C1 ZINC001039039894 678221299 /nfs/dbraw/zinc/22/12/99/678221299.db2.gz QDFDAFCBYARJSU-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047373 678221996 /nfs/dbraw/zinc/22/19/96/678221996.db2.gz PXDDLFGMLVLOIE-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047373 678221997 /nfs/dbraw/zinc/22/19/97/678221997.db2.gz PXDDLFGMLVLOIE-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053536 678222024 /nfs/dbraw/zinc/22/20/24/678222024.db2.gz UDGZQUJBAGWKSL-MNOVXSKESA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053536 678222026 /nfs/dbraw/zinc/22/20/26/678222026.db2.gz UDGZQUJBAGWKSL-MNOVXSKESA-N 1 1 324.385 -1.449 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039043825 678222094 /nfs/dbraw/zinc/22/20/94/678222094.db2.gz OCFVCCSSROUDFI-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001039416433 678222282 /nfs/dbraw/zinc/22/22/82/678222282.db2.gz ZNDPLGIMOHTYSK-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426475 678222850 /nfs/dbraw/zinc/22/28/50/678222850.db2.gz FDOWLKFQFYLWEN-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)N1 ZINC001039426475 678222854 /nfs/dbraw/zinc/22/28/54/678222854.db2.gz FDOWLKFQFYLWEN-OUAUKWLOSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(N)=O)C1 ZINC001039537408 678222859 /nfs/dbraw/zinc/22/28/59/678222859.db2.gz YZDLXOSGALINJC-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(N)=O)C1 ZINC001039537408 678222864 /nfs/dbraw/zinc/22/28/64/678222864.db2.gz YZDLXOSGALINJC-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001039760081 678228453 /nfs/dbraw/zinc/22/84/53/678228453.db2.gz HFNSRPJUQLVMEI-HZMBPMFUSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cnon3)C2)C1 ZINC001039759870 678228541 /nfs/dbraw/zinc/22/85/41/678228541.db2.gz CLLCTADAWPHEQB-IINYFYTJSA-N 1 1 323.353 -1.286 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(N)=O)C2)CC[N@H+]1C ZINC001039858250 678230369 /nfs/dbraw/zinc/23/03/69/678230369.db2.gz NAIBXOASBUDLNH-RULNRJAQSA-N 1 1 312.370 -2.109 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)c(=O)n1C ZINC001039989144 678230964 /nfs/dbraw/zinc/23/09/64/678230964.db2.gz NQKQIODXIVOKBF-BETUJISGSA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)c(=O)n1C ZINC001039989144 678230965 /nfs/dbraw/zinc/23/09/65/678230965.db2.gz NQKQIODXIVOKBF-BETUJISGSA-N 1 1 323.397 -1.052 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001040008539 678231405 /nfs/dbraw/zinc/23/14/05/678231405.db2.gz BLOIYVMCPYEMHX-TUAOUCFPSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001040008539 678231407 /nfs/dbraw/zinc/23/14/07/678231407.db2.gz BLOIYVMCPYEMHX-TUAOUCFPSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060899 678231854 /nfs/dbraw/zinc/23/18/54/678231854.db2.gz ZETCCPJCAGRMIT-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040058527 678231865 /nfs/dbraw/zinc/23/18/65/678231865.db2.gz FKWVAUMTBYSYHL-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040248127 678235517 /nfs/dbraw/zinc/23/55/17/678235517.db2.gz NRRHNUCVNWDYCR-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040264997 678235780 /nfs/dbraw/zinc/23/57/80/678235780.db2.gz IOWRXMMLLSZLLW-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040265221 678236163 /nfs/dbraw/zinc/23/61/63/678236163.db2.gz KRFPDPBNWBOSHG-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040265221 678236165 /nfs/dbraw/zinc/23/61/65/678236165.db2.gz KRFPDPBNWBOSHG-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040265221 678236167 /nfs/dbraw/zinc/23/61/67/678236167.db2.gz KRFPDPBNWBOSHG-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001040265800 678236563 /nfs/dbraw/zinc/23/65/63/678236563.db2.gz RYIAFRAEQFDEFR-BXUZGUMPSA-N 1 1 324.385 -1.162 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040332808 678238775 /nfs/dbraw/zinc/23/87/75/678238775.db2.gz PMXIWOFNGGSTRU-MRXNPFEDSA-N 1 1 324.425 -1.275 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC001040328886 678238919 /nfs/dbraw/zinc/23/89/19/678238919.db2.gz QUWCPKMZJGWJSV-XHDPSFHLSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC001040328886 678238920 /nfs/dbraw/zinc/23/89/20/678238920.db2.gz QUWCPKMZJGWJSV-XHDPSFHLSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001040363434 678239532 /nfs/dbraw/zinc/23/95/32/678239532.db2.gz HGUJHERHEYINPY-BMIGLBTASA-N 1 1 322.365 -1.409 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040544122 678243264 /nfs/dbraw/zinc/24/32/64/678243264.db2.gz BACCXBRFNWZLRJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040544122 678243266 /nfs/dbraw/zinc/24/32/66/678243266.db2.gz BACCXBRFNWZLRJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040544122 678243268 /nfs/dbraw/zinc/24/32/68/678243268.db2.gz BACCXBRFNWZLRJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040544122 678243271 /nfs/dbraw/zinc/24/32/71/678243271.db2.gz BACCXBRFNWZLRJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040544122 678243272 /nfs/dbraw/zinc/24/32/72/678243272.db2.gz BACCXBRFNWZLRJ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040544121 678243307 /nfs/dbraw/zinc/24/33/07/678243307.db2.gz BACCXBRFNWZLRJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040544121 678243310 /nfs/dbraw/zinc/24/33/10/678243310.db2.gz BACCXBRFNWZLRJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040544121 678243312 /nfs/dbraw/zinc/24/33/12/678243312.db2.gz BACCXBRFNWZLRJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040544121 678243315 /nfs/dbraw/zinc/24/33/15/678243315.db2.gz BACCXBRFNWZLRJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040544121 678243319 /nfs/dbraw/zinc/24/33/19/678243319.db2.gz BACCXBRFNWZLRJ-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040550342 678244902 /nfs/dbraw/zinc/24/49/02/678244902.db2.gz JXSYTPQTGJVWLQ-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550342 678244904 /nfs/dbraw/zinc/24/49/04/678244904.db2.gz JXSYTPQTGJVWLQ-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550342 678244906 /nfs/dbraw/zinc/24/49/06/678244906.db2.gz JXSYTPQTGJVWLQ-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550342 678244907 /nfs/dbraw/zinc/24/49/07/678244907.db2.gz JXSYTPQTGJVWLQ-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550342 678244909 /nfs/dbraw/zinc/24/49/09/678244909.db2.gz JXSYTPQTGJVWLQ-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040550343 678244982 /nfs/dbraw/zinc/24/49/82/678244982.db2.gz JXSYTPQTGJVWLQ-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550343 678244983 /nfs/dbraw/zinc/24/49/83/678244983.db2.gz JXSYTPQTGJVWLQ-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550343 678244986 /nfs/dbraw/zinc/24/49/86/678244986.db2.gz JXSYTPQTGJVWLQ-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550343 678244990 /nfs/dbraw/zinc/24/49/90/678244990.db2.gz JXSYTPQTGJVWLQ-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550343 678244992 /nfs/dbraw/zinc/24/49/92/678244992.db2.gz JXSYTPQTGJVWLQ-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001040663921 678247873 /nfs/dbraw/zinc/24/78/73/678247873.db2.gz AJQVHIYFHIDMDM-SMDDNHRTSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040741249 678250304 /nfs/dbraw/zinc/25/03/04/678250304.db2.gz MQPQBHCCFZEFSS-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040743710 678251065 /nfs/dbraw/zinc/25/10/65/678251065.db2.gz OLXZSUMXHPOIEW-CYBMUJFWSA-N 1 1 300.359 -2.107 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040745449 678251564 /nfs/dbraw/zinc/25/15/64/678251564.db2.gz BVIVJEXYDZHLKA-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040745389 678251649 /nfs/dbraw/zinc/25/16/49/678251649.db2.gz AKZZFGPBOCFJFW-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749076 678253108 /nfs/dbraw/zinc/25/31/08/678253108.db2.gz GJOIXIZNMGFPJA-RNCFNFMXSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749076 678253111 /nfs/dbraw/zinc/25/31/11/678253111.db2.gz GJOIXIZNMGFPJA-RNCFNFMXSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749078 678253130 /nfs/dbraw/zinc/25/31/30/678253130.db2.gz GJOIXIZNMGFPJA-TVQRCGJNSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040749078 678253132 /nfs/dbraw/zinc/25/31/32/678253132.db2.gz GJOIXIZNMGFPJA-TVQRCGJNSA-N 1 1 314.342 -3.118 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001040796723 678256343 /nfs/dbraw/zinc/25/63/43/678256343.db2.gz ZKVQDRYYEJYDOM-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040921880 678257822 /nfs/dbraw/zinc/25/78/22/678257822.db2.gz FKFQRFPMTKOAGN-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001040973663 678260296 /nfs/dbraw/zinc/26/02/96/678260296.db2.gz VGNGXIAONNJAOK-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001040973663 678260299 /nfs/dbraw/zinc/26/02/99/678260299.db2.gz VGNGXIAONNJAOK-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001040973783 678260502 /nfs/dbraw/zinc/26/05/02/678260502.db2.gz YKULEUBNZNOZMG-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001040973783 678260505 /nfs/dbraw/zinc/26/05/05/678260505.db2.gz YKULEUBNZNOZMG-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001040973664 678260572 /nfs/dbraw/zinc/26/05/72/678260572.db2.gz VGNGXIAONNJAOK-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001040973664 678260574 /nfs/dbraw/zinc/26/05/74/678260574.db2.gz VGNGXIAONNJAOK-UPJWGTAASA-N 1 1 321.381 -1.219 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001041059919 678263290 /nfs/dbraw/zinc/26/32/90/678263290.db2.gz UUYPYYSNVYDYEQ-UPJWGTAASA-N 1 1 321.381 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001041059919 678263294 /nfs/dbraw/zinc/26/32/94/678263294.db2.gz UUYPYYSNVYDYEQ-UPJWGTAASA-N 1 1 321.381 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)COC)C2)C1 ZINC001041167136 678268424 /nfs/dbraw/zinc/26/84/24/678268424.db2.gz ZBWFPIPQZKIXQO-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)COC)C2)C1 ZINC001041167136 678268428 /nfs/dbraw/zinc/26/84/28/678268428.db2.gz ZBWFPIPQZKIXQO-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001041196408 678269996 /nfs/dbraw/zinc/26/99/96/678269996.db2.gz SGLDGDKYCZHEBY-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccco3)C2)C1 ZINC001041206394 678270435 /nfs/dbraw/zinc/27/04/35/678270435.db2.gz UKUNXTBQVGEXDP-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccco3)C2)C1 ZINC001041206394 678270437 /nfs/dbraw/zinc/27/04/37/678270437.db2.gz UKUNXTBQVGEXDP-GFCCVEGCSA-N 1 1 323.349 -1.087 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001041226966 678271927 /nfs/dbraw/zinc/27/19/27/678271927.db2.gz DEDXQIKENJAMEO-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001041226973 678272041 /nfs/dbraw/zinc/27/20/41/678272041.db2.gz DEDXQIKENJAMEO-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cnccn3)C2)C1 ZINC001041261452 678273022 /nfs/dbraw/zinc/27/30/22/678273022.db2.gz LRRHVGPZSRZCOL-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041280792 678273488 /nfs/dbraw/zinc/27/34/88/678273488.db2.gz RKXRNIBYTWCZQI-CYBMUJFWSA-N 1 1 307.358 -1.657 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001041289464 678274410 /nfs/dbraw/zinc/27/44/10/678274410.db2.gz IBIMJUFIWNTHLN-FZMZJTMJSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001041289465 678274505 /nfs/dbraw/zinc/27/45/05/678274505.db2.gz IBIMJUFIWNTHLN-RISCZKNCSA-N 1 1 319.369 -1.514 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001041308812 678275943 /nfs/dbraw/zinc/27/59/43/678275943.db2.gz GRMQDXOJSHWTKE-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001041316553 678276430 /nfs/dbraw/zinc/27/64/30/678276430.db2.gz WFYLAWLQEXMEEH-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCO2)C1 ZINC001041349635 678279133 /nfs/dbraw/zinc/27/91/33/678279133.db2.gz JESAGNHVGBXYOP-NEPJUHHUSA-N 1 1 311.382 -1.051 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041361637 678280640 /nfs/dbraw/zinc/28/06/40/678280640.db2.gz BJQJBYQWMCVFJS-OAHLLOKOSA-N 1 1 324.381 -1.745 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041363205 678280651 /nfs/dbraw/zinc/28/06/51/678280651.db2.gz NVOVMDTUPMGPHS-HNNXBMFYSA-N 1 1 311.382 -1.238 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001041361634 678280706 /nfs/dbraw/zinc/28/07/06/678280706.db2.gz BJQJBYQWMCVFJS-HNNXBMFYSA-N 1 1 324.381 -1.745 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041360516 678280873 /nfs/dbraw/zinc/28/08/73/678280873.db2.gz WTNGGZXDTMPSIL-JTQLQIEISA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041360516 678280876 /nfs/dbraw/zinc/28/08/76/678280876.db2.gz WTNGGZXDTMPSIL-JTQLQIEISA-N 1 1 317.411 -1.631 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2cnnn2)C1 ZINC001041404024 678285041 /nfs/dbraw/zinc/28/50/41/678285041.db2.gz XGTRCEZALZBYAX-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001041412379 678286000 /nfs/dbraw/zinc/28/60/00/678286000.db2.gz AAGCBBHBWGVLBT-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)c1=O ZINC001041423205 678286321 /nfs/dbraw/zinc/28/63/21/678286321.db2.gz SZYHIVBDCKMAAD-AWEZNQCLSA-N 1 1 322.369 -2.009 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)CC1=O ZINC001041418449 678286383 /nfs/dbraw/zinc/28/63/83/678286383.db2.gz KRDQEUOCPSCZJE-MRXNPFEDSA-N 1 1 324.425 -1.323 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)C1 ZINC001041439032 678287731 /nfs/dbraw/zinc/28/77/31/678287731.db2.gz ZZTVZUQLBBZDQD-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)C1 ZINC001041439032 678287733 /nfs/dbraw/zinc/28/77/33/678287733.db2.gz ZZTVZUQLBBZDQD-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO Cn1cc(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)ncc1=O ZINC001041486267 678289808 /nfs/dbraw/zinc/28/98/08/678289808.db2.gz LZHXOAZQGHAGHY-HNNXBMFYSA-N 1 1 319.365 -1.196 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041539043 678290532 /nfs/dbraw/zinc/29/05/32/678290532.db2.gz CWIFTTJSTQCSRO-INIZCTEOSA-N 1 1 324.425 -1.275 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540968 678290587 /nfs/dbraw/zinc/29/05/87/678290587.db2.gz RITLNJFCRGCISC-XJKSGUPXSA-N 1 1 324.425 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041544025 678291183 /nfs/dbraw/zinc/29/11/83/678291183.db2.gz MNARNGQLAVXBIP-NHYWBVRUSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)n1 ZINC001041562646 678291212 /nfs/dbraw/zinc/29/12/12/678291212.db2.gz CRVMZFLYPSCKQO-YGRLFVJLSA-N 1 1 319.369 -1.363 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041565342 678291255 /nfs/dbraw/zinc/29/12/55/678291255.db2.gz WCCUAOIZQKTALO-CYBMUJFWSA-N 1 1 307.358 -1.506 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)C1=O ZINC001041569726 678291376 /nfs/dbraw/zinc/29/13/76/678291376.db2.gz MFITWVIOSBXLCY-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001041544028 678291440 /nfs/dbraw/zinc/29/14/40/678291440.db2.gz MNARNGQLAVXBIP-XHDPSFHLSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041605626 678293726 /nfs/dbraw/zinc/29/37/26/678293726.db2.gz GDTRDUUBZYSNDI-MNOVXSKESA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041605628 678293865 /nfs/dbraw/zinc/29/38/65/678293865.db2.gz GDTRDUUBZYSNDI-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001041614236 678294225 /nfs/dbraw/zinc/29/42/25/678294225.db2.gz JEJKWBGFLKJISA-IINYFYTJSA-N 1 1 309.370 -1.662 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001041614238 678294390 /nfs/dbraw/zinc/29/43/90/678294390.db2.gz JEJKWBGFLKJISA-QMTHXVAHSA-N 1 1 309.370 -1.662 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041621866 678295099 /nfs/dbraw/zinc/29/50/99/678295099.db2.gz FWNJAXMCZCJRJN-AWEZNQCLSA-N 1 1 309.370 -1.579 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001041630467 678295195 /nfs/dbraw/zinc/29/51/95/678295195.db2.gz VTMGQSHINFIGFI-IUODEOHRSA-N 1 1 321.381 -1.346 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041668377 678297291 /nfs/dbraw/zinc/29/72/91/678297291.db2.gz TWCZKZKSFCGVDN-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744195 678300943 /nfs/dbraw/zinc/30/09/43/678300943.db2.gz YGFRNIISSPPOGA-XHDPSFHLSA-N 1 1 324.381 -1.157 20 0 DAADMO Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001041735249 678300955 /nfs/dbraw/zinc/30/09/55/678300955.db2.gz KGXPWCCNGXMCII-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041756565 678301432 /nfs/dbraw/zinc/30/14/32/678301432.db2.gz JIBZXCJISCJGGD-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041754057 678301767 /nfs/dbraw/zinc/30/17/67/678301767.db2.gz KWEBPMPFUYFMEZ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041754057 678301769 /nfs/dbraw/zinc/30/17/69/678301769.db2.gz KWEBPMPFUYFMEZ-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)c(=O)n1C ZINC001041810825 678304098 /nfs/dbraw/zinc/30/40/98/678304098.db2.gz IUEJHSUJEMFADO-HNNXBMFYSA-N 1 1 323.397 -1.193 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)c(=O)n1C ZINC001041810827 678304219 /nfs/dbraw/zinc/30/42/19/678304219.db2.gz IUEJHSUJEMFADO-OAHLLOKOSA-N 1 1 323.397 -1.193 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041860774 678305052 /nfs/dbraw/zinc/30/50/52/678305052.db2.gz IBPJXLYTMDNHMH-BMIGLBTASA-N 1 1 322.365 -1.551 20 0 DAADMO CC(=O)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001041868189 678305120 /nfs/dbraw/zinc/30/51/20/678305120.db2.gz GOEPLTJWGMBKCN-CHWSQXEVSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001041868189 678305123 /nfs/dbraw/zinc/30/51/23/678305123.db2.gz GOEPLTJWGMBKCN-CHWSQXEVSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001041868191 678305149 /nfs/dbraw/zinc/30/51/49/678305149.db2.gz GOEPLTJWGMBKCN-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC001041868191 678305152 /nfs/dbraw/zinc/30/51/52/678305152.db2.gz GOEPLTJWGMBKCN-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC001041860776 678305370 /nfs/dbraw/zinc/30/53/70/678305370.db2.gz IBPJXLYTMDNHMH-MEBBXXQBSA-N 1 1 322.365 -1.551 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001041883446 678306097 /nfs/dbraw/zinc/30/60/97/678306097.db2.gz IEXSCJMDEFPLGQ-NEPJUHHUSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1nccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001041909785 678307685 /nfs/dbraw/zinc/30/76/85/678307685.db2.gz VLCVMRDDKRVIGD-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042022134 678310772 /nfs/dbraw/zinc/31/07/72/678310772.db2.gz VTLYQEPEAQFQAD-VHSXEESVSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@H]21 ZINC001042022134 678310769 /nfs/dbraw/zinc/31/07/69/678310769.db2.gz VTLYQEPEAQFQAD-VHSXEESVSA-N 1 1 308.342 -1.608 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001042033107 678311112 /nfs/dbraw/zinc/31/11/12/678311112.db2.gz QPAPESALRQROOU-YPMHNXCESA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001042033107 678311116 /nfs/dbraw/zinc/31/11/16/678311116.db2.gz QPAPESALRQROOU-YPMHNXCESA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042067242 678312612 /nfs/dbraw/zinc/31/26/12/678312612.db2.gz FLGRSMQQUONRHF-GHMZBOCLSA-N 1 1 324.381 -1.951 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001042061766 678312697 /nfs/dbraw/zinc/31/26/97/678312697.db2.gz WAMWQWFRKUJQDL-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 ZINC001042076864 678313625 /nfs/dbraw/zinc/31/36/25/678313625.db2.gz XPKMHPPTRQOHPI-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 ZINC001042076863 678313634 /nfs/dbraw/zinc/31/36/34/678313634.db2.gz XPKMHPPTRQOHPI-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091503 678314320 /nfs/dbraw/zinc/31/43/20/678314320.db2.gz BJFWLYLGRKDWHS-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042091503 678314324 /nfs/dbraw/zinc/31/43/24/678314324.db2.gz BJFWLYLGRKDWHS-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 ZINC001042091693 678314410 /nfs/dbraw/zinc/31/44/10/678314410.db2.gz FEERMFQRRMVTRW-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042092811 678314497 /nfs/dbraw/zinc/31/44/97/678314497.db2.gz RDTWOKQVSLQVGQ-NSHDSACASA-N 1 1 312.370 -2.094 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042091499 678314574 /nfs/dbraw/zinc/31/45/74/678314574.db2.gz BJFWLYLGRKDWHS-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042091499 678314577 /nfs/dbraw/zinc/31/45/77/678314577.db2.gz BJFWLYLGRKDWHS-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 ZINC001042091537 678314586 /nfs/dbraw/zinc/31/45/86/678314586.db2.gz BWGCBUFNEBVQQV-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncccn2)C1 ZINC001042097486 678314837 /nfs/dbraw/zinc/31/48/37/678314837.db2.gz IDXSRCLRCIPCDF-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 ZINC001042093078 678315056 /nfs/dbraw/zinc/31/50/56/678315056.db2.gz SEXWHLLJAUZYLZ-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001042098705 678315143 /nfs/dbraw/zinc/31/51/43/678315143.db2.gz VCOMHWQQSJBGQU-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042096105 678315201 /nfs/dbraw/zinc/31/52/01/678315201.db2.gz AZCDDZWWYUTSEZ-STQMWFEESA-N 1 1 311.382 -1.240 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2ncnn2)C1 ZINC001042103783 678315273 /nfs/dbraw/zinc/31/52/73/678315273.db2.gz IINAXYPSEPSIPX-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098787 678315307 /nfs/dbraw/zinc/31/53/07/678315307.db2.gz SLFTYBKKJIJHPT-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 ZINC001042098787 678315311 /nfs/dbraw/zinc/31/53/11/678315311.db2.gz SLFTYBKKJIJHPT-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)cc1=O ZINC001042100601 678315342 /nfs/dbraw/zinc/31/53/42/678315342.db2.gz NPZRJZJGPMTLSX-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)cc1=O ZINC001042100601 678315345 /nfs/dbraw/zinc/31/53/45/678315345.db2.gz NPZRJZJGPMTLSX-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042097981 678315443 /nfs/dbraw/zinc/31/54/43/678315443.db2.gz LJKNCVCCWRLAAZ-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001042103103 678315449 /nfs/dbraw/zinc/31/54/49/678315449.db2.gz AVSKLKDWXGHJCL-OUAUKWLOSA-N 1 1 324.381 -2.109 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001042098103 678315460 /nfs/dbraw/zinc/31/54/60/678315460.db2.gz NCNNTPAKODMWLU-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001042098103 678315465 /nfs/dbraw/zinc/31/54/65/678315465.db2.gz NCNNTPAKODMWLU-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001042098103 678315466 /nfs/dbraw/zinc/31/54/66/678315466.db2.gz NCNNTPAKODMWLU-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001042103940 678315492 /nfs/dbraw/zinc/31/54/92/678315492.db2.gz KFQRHYJQOVENNZ-GHMZBOCLSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001042097730 678315519 /nfs/dbraw/zinc/31/55/19/678315519.db2.gz JBQBPECASXWSIU-NSHDSACASA-N 1 1 321.381 -1.264 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)CC1=O ZINC001042120229 678316430 /nfs/dbraw/zinc/31/64/30/678316430.db2.gz QKCOGMPJGGWLGS-KBPBESRZSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)c1=O ZINC001042163162 678317641 /nfs/dbraw/zinc/31/76/41/678317641.db2.gz PLNKMOFRMNWFAS-OLZOCXBDSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001042206036 678317980 /nfs/dbraw/zinc/31/79/80/678317980.db2.gz CGHKUGMGAIVJJV-ONGXEEELSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001042206036 678317986 /nfs/dbraw/zinc/31/79/86/678317986.db2.gz CGHKUGMGAIVJJV-ONGXEEELSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001042206034 678318176 /nfs/dbraw/zinc/31/81/76/678318176.db2.gz CGHKUGMGAIVJJV-KOLCDFICSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 ZINC001042206034 678318180 /nfs/dbraw/zinc/31/81/80/678318180.db2.gz CGHKUGMGAIVJJV-KOLCDFICSA-N 1 1 305.338 -1.208 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042191880 678318190 /nfs/dbraw/zinc/31/81/90/678318190.db2.gz UGDYELQCMFMIHU-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042191880 678318193 /nfs/dbraw/zinc/31/81/93/678318193.db2.gz UGDYELQCMFMIHU-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042191882 678318227 /nfs/dbraw/zinc/31/82/27/678318227.db2.gz UGDYELQCMFMIHU-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042191882 678318230 /nfs/dbraw/zinc/31/82/30/678318230.db2.gz UGDYELQCMFMIHU-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042185549 678318236 /nfs/dbraw/zinc/31/82/36/678318236.db2.gz UTHSUERAWPEBMQ-CHWSQXEVSA-N 1 1 310.398 -1.667 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042189627 678318454 /nfs/dbraw/zinc/31/84/54/678318454.db2.gz JCMQKSIPLAGUKU-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042189627 678318459 /nfs/dbraw/zinc/31/84/59/678318459.db2.gz JCMQKSIPLAGUKU-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042185734 678318475 /nfs/dbraw/zinc/31/84/75/678318475.db2.gz XEQLSSJHUKVSIA-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2C1 ZINC001042210715 678318804 /nfs/dbraw/zinc/31/88/04/678318804.db2.gz LYUDYVBJMQKTPE-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042213339 678319509 /nfs/dbraw/zinc/31/95/09/678319509.db2.gz KZUWNPPNSYRFBX-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042213339 678319512 /nfs/dbraw/zinc/31/95/12/678319512.db2.gz KZUWNPPNSYRFBX-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042220164 678320817 /nfs/dbraw/zinc/32/08/17/678320817.db2.gz LUKSNPLVNHXFRP-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042226609 678321677 /nfs/dbraw/zinc/32/16/77/678321677.db2.gz BYKFPVWZILOEFO-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042272571 678323990 /nfs/dbraw/zinc/32/39/90/678323990.db2.gz OHOBLYZQUVRGJM-MNOVXSKESA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042272572 678324030 /nfs/dbraw/zinc/32/40/30/678324030.db2.gz OHOBLYZQUVRGJM-QWRGUYRKSA-N 1 1 310.354 -1.547 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042287827 678324422 /nfs/dbraw/zinc/32/44/22/678324422.db2.gz NXOZTBCSCAWYQF-MNOVXSKESA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042287827 678324424 /nfs/dbraw/zinc/32/44/24/678324424.db2.gz NXOZTBCSCAWYQF-MNOVXSKESA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001042294808 678324594 /nfs/dbraw/zinc/32/45/94/678324594.db2.gz JEAXVRMAUBNUFK-SECBINFHSA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001042294808 678324596 /nfs/dbraw/zinc/32/45/96/678324596.db2.gz JEAXVRMAUBNUFK-SECBINFHSA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)C1 ZINC001042299988 678324929 /nfs/dbraw/zinc/32/49/29/678324929.db2.gz LQRLKPHMBHXKTD-NSHDSACASA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)C1 ZINC001042299988 678324936 /nfs/dbraw/zinc/32/49/36/678324936.db2.gz LQRLKPHMBHXKTD-NSHDSACASA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001042299549 678325001 /nfs/dbraw/zinc/32/50/01/678325001.db2.gz DKDBSENYPLSPFZ-SNVBAGLBSA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001042299549 678325004 /nfs/dbraw/zinc/32/50/04/678325004.db2.gz DKDBSENYPLSPFZ-SNVBAGLBSA-N 1 1 324.341 -2.562 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)F)C2)C1 ZINC001042296174 678325057 /nfs/dbraw/zinc/32/50/57/678325057.db2.gz XMXQQQWZTWISRC-SNVBAGLBSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(C)F)C2)C1 ZINC001042296174 678325060 /nfs/dbraw/zinc/32/50/60/678325060.db2.gz XMXQQQWZTWISRC-SNVBAGLBSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)/C=C\C3CC3)C2)C1 ZINC001042300606 678325117 /nfs/dbraw/zinc/32/51/17/678325117.db2.gz WRWJMHWYFKPBSM-DSYXLKISSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)/C=C\C3CC3)C2)C1 ZINC001042300606 678325122 /nfs/dbraw/zinc/32/51/22/678325122.db2.gz WRWJMHWYFKPBSM-DSYXLKISSA-N 1 1 323.393 -1.027 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295827 678325132 /nfs/dbraw/zinc/32/51/32/678325132.db2.gz SZXWUYLCDFJXNJ-WDEREUQCSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295827 678325137 /nfs/dbraw/zinc/32/51/37/678325137.db2.gz SZXWUYLCDFJXNJ-WDEREUQCSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001042300294 678325258 /nfs/dbraw/zinc/32/52/58/678325258.db2.gz RVUNIKHIIKJOKS-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001042300294 678325263 /nfs/dbraw/zinc/32/52/63/678325263.db2.gz RVUNIKHIIKJOKS-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C/C=C(\C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042300621 678325432 /nfs/dbraw/zinc/32/54/32/678325432.db2.gz XAWHJFPBNSTLNW-QNCMIEPLSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(\C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042300621 678325436 /nfs/dbraw/zinc/32/54/36/678325436.db2.gz XAWHJFPBNSTLNW-QNCMIEPLSA-N 1 1 311.382 -1.027 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)C1=O ZINC001042311113 678325525 /nfs/dbraw/zinc/32/55/25/678325525.db2.gz FYHQLMHCTBXUQJ-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299552 678325571 /nfs/dbraw/zinc/32/55/71/678325571.db2.gz DLQYKQPHUVMAEK-MNOVXSKESA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299552 678325574 /nfs/dbraw/zinc/32/55/74/678325574.db2.gz DLQYKQPHUVMAEK-MNOVXSKESA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001042300022 678325598 /nfs/dbraw/zinc/32/55/98/678325598.db2.gz MXNMJIAYVYCWCR-RYUDHWBXSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001042300022 678325601 /nfs/dbraw/zinc/32/56/01/678325601.db2.gz MXNMJIAYVYCWCR-RYUDHWBXSA-N 1 1 323.393 -1.193 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)C1=O ZINC001042346444 678326491 /nfs/dbraw/zinc/32/64/91/678326491.db2.gz UIGZSWRGONBIIK-RYUDHWBXSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042346728 678326528 /nfs/dbraw/zinc/32/65/28/678326528.db2.gz WBSAZBPNFBGFOA-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)C1=O ZINC001042346442 678326758 /nfs/dbraw/zinc/32/67/58/678326758.db2.gz UIGZSWRGONBIIK-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)n(C)c1=O ZINC001042369803 678327302 /nfs/dbraw/zinc/32/73/02/678327302.db2.gz AVEBZBNGNCQBIS-QWRGUYRKSA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)n(C)c1=O ZINC001042369803 678327306 /nfs/dbraw/zinc/32/73/06/678327306.db2.gz AVEBZBNGNCQBIS-QWRGUYRKSA-N 1 1 321.381 -1.255 20 0 DAADMO C/C=C(/C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042430461 678328486 /nfs/dbraw/zinc/32/84/86/678328486.db2.gz ASBVLENZRKLGTQ-CSXHZRMWSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(/C)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042430461 678328487 /nfs/dbraw/zinc/32/84/87/678328487.db2.gz ASBVLENZRKLGTQ-CSXHZRMWSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001042547047 678331435 /nfs/dbraw/zinc/33/14/35/678331435.db2.gz KBUMHLXQNATMQO-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001042544378 678331719 /nfs/dbraw/zinc/33/17/19/678331719.db2.gz PSSBTPGEZBSGQK-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cnn(C)n2)C1 ZINC001042573134 678332748 /nfs/dbraw/zinc/33/27/48/678332748.db2.gz DBCDMTXTIZIDOM-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cnn(C)n2)C1 ZINC001042573134 678332749 /nfs/dbraw/zinc/33/27/49/678332749.db2.gz DBCDMTXTIZIDOM-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cnn(C)n2)C1 ZINC001042573133 678332853 /nfs/dbraw/zinc/33/28/53/678332853.db2.gz DBCDMTXTIZIDOM-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cnn(C)n2)C1 ZINC001042573133 678332854 /nfs/dbraw/zinc/33/28/54/678332854.db2.gz DBCDMTXTIZIDOM-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042572945 678332870 /nfs/dbraw/zinc/33/28/70/678332870.db2.gz ANWFNSDAJPFBRN-JQWIXIFHSA-N 1 1 323.401 -1.256 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042572945 678332871 /nfs/dbraw/zinc/33/28/71/678332871.db2.gz ANWFNSDAJPFBRN-JQWIXIFHSA-N 1 1 323.401 -1.256 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC001042573169 678332919 /nfs/dbraw/zinc/33/29/19/678332919.db2.gz FJRVFNZWTGCSOF-NSHDSACASA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC001042573169 678332924 /nfs/dbraw/zinc/33/29/24/678332924.db2.gz FJRVFNZWTGCSOF-NSHDSACASA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ncnn2C)C1 ZINC001042573847 678333382 /nfs/dbraw/zinc/33/33/82/678333382.db2.gz WBDSASBYDGMFDI-GFCCVEGCSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ncnn2C)C1 ZINC001042573847 678333386 /nfs/dbraw/zinc/33/33/86/678333386.db2.gz WBDSASBYDGMFDI-GFCCVEGCSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2ncnn2C)C1 ZINC001042573848 678333463 /nfs/dbraw/zinc/33/34/63/678333463.db2.gz WBDSASBYDGMFDI-LBPRGKRZSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2ncnn2C)C1 ZINC001042573848 678333468 /nfs/dbraw/zinc/33/34/68/678333468.db2.gz WBDSASBYDGMFDI-LBPRGKRZSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042669824 678337076 /nfs/dbraw/zinc/33/70/76/678337076.db2.gz MXJUMJGBJMZMQB-VXGBXAGGSA-N 1 1 323.353 -1.505 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cncnc3)C2)C1 ZINC001042709898 678339758 /nfs/dbraw/zinc/33/97/58/678339758.db2.gz KYWHXAZUNMWCMZ-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042722294 678340450 /nfs/dbraw/zinc/34/04/50/678340450.db2.gz FBTMNXNXBQXCOT-JTQLQIEISA-N 1 1 312.370 -2.094 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042847895 678348003 /nfs/dbraw/zinc/34/80/03/678348003.db2.gz KLYHTLOPPZFUKJ-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042853355 678348877 /nfs/dbraw/zinc/34/88/77/678348877.db2.gz FWXZASHFFULMRQ-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042887999 678352132 /nfs/dbraw/zinc/35/21/32/678352132.db2.gz WVCVYVHXVKQOQX-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001042896962 678354083 /nfs/dbraw/zinc/35/40/83/678354083.db2.gz ZVRITRWCWVPOGT-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001042935853 678356205 /nfs/dbraw/zinc/35/62/05/678356205.db2.gz WKSLNDYNDKLMKC-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043043014 678363289 /nfs/dbraw/zinc/36/32/89/678363289.db2.gz AYHSCNSDQMGZJU-SNVBAGLBSA-N 1 1 312.370 -1.966 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043043013 678363355 /nfs/dbraw/zinc/36/33/55/678363355.db2.gz AYHSCNSDQMGZJU-JTQLQIEISA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001043059003 678363834 /nfs/dbraw/zinc/36/38/34/678363834.db2.gz CBFKMPKQDFIVOZ-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO Cn1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043112497 678364973 /nfs/dbraw/zinc/36/49/73/678364973.db2.gz APIDZKVEDQIBTK-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001043114265 678365161 /nfs/dbraw/zinc/36/51/61/678365161.db2.gz VGFAQPVHQHAAJJ-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001043112948 678365347 /nfs/dbraw/zinc/36/53/47/678365347.db2.gz FMYJRLCAVFKZME-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001043113523 678365421 /nfs/dbraw/zinc/36/54/21/678365421.db2.gz MUQRJZJSEFKMAS-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001043113523 678365422 /nfs/dbraw/zinc/36/54/22/678365422.db2.gz MUQRJZJSEFKMAS-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001043113523 678365423 /nfs/dbraw/zinc/36/54/23/678365423.db2.gz MUQRJZJSEFKMAS-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO COC[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114252 678365453 /nfs/dbraw/zinc/36/54/53/678365453.db2.gz VCEVCCISIKECGL-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001043114500 678365465 /nfs/dbraw/zinc/36/54/65/678365465.db2.gz XSTWQVZWYHPXSH-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3ncnn3)C2)C1 ZINC001043118482 678365771 /nfs/dbraw/zinc/36/57/71/678365771.db2.gz ZCANHGMYNGKJIW-JTQLQIEISA-N 1 1 323.357 -2.686 20 0 DAADMO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043117132 678365791 /nfs/dbraw/zinc/36/57/91/678365791.db2.gz UBOFLPYLPPLHFQ-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116077 678365798 /nfs/dbraw/zinc/36/57/98/678365798.db2.gz LVUICTLWNGJVOO-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1nncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043117130 678365831 /nfs/dbraw/zinc/36/58/31/678365831.db2.gz UBOFLPYLPPLHFQ-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001043116200 678365860 /nfs/dbraw/zinc/36/58/60/678365860.db2.gz NPBCSYUEMFSTIB-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3ccnc3)C2)C1 ZINC001043117996 678365944 /nfs/dbraw/zinc/36/59/44/678365944.db2.gz DAXADDPEPBKFEF-LBPRGKRZSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnon3)C2)C1 ZINC001043115875 678366006 /nfs/dbraw/zinc/36/60/06/678366006.db2.gz KPALSKGRRIMRIN-VIFPVBQESA-N 1 1 309.326 -1.676 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001043118021 678366033 /nfs/dbraw/zinc/36/60/33/678366033.db2.gz WQZAHYUHGPBGPQ-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ncccn3)C2)C1 ZINC001043117648 678366109 /nfs/dbraw/zinc/36/61/09/678366109.db2.gz WJPZPHVFOHWJCM-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001043116527 678366186 /nfs/dbraw/zinc/36/61/86/678366186.db2.gz ONNGWBIRFAKQES-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043115000 678366239 /nfs/dbraw/zinc/36/62/39/678366239.db2.gz CWRVOZYHNRWFOL-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001043118982 678366704 /nfs/dbraw/zinc/36/67/04/678366704.db2.gz QJMQGSWVNMTYIS-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001043121248 678366864 /nfs/dbraw/zinc/36/68/64/678366864.db2.gz XSIHRFDPRJGRFK-GHMZBOCLSA-N 1 1 324.381 -2.236 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001043130125 678368018 /nfs/dbraw/zinc/36/80/18/678368018.db2.gz LKNJVCCTFFZICI-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001043129873 678368171 /nfs/dbraw/zinc/36/81/71/678368171.db2.gz GXHZIFARDOOATH-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043224581 678373077 /nfs/dbraw/zinc/37/30/77/678373077.db2.gz YETDVKNDUIBBDH-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235668 678373505 /nfs/dbraw/zinc/37/35/05/678373505.db2.gz YPJJYUOBLKAVMQ-QWRGUYRKSA-N 1 1 324.381 -1.822 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)CC[N@H+]1C ZINC001043261150 678374018 /nfs/dbraw/zinc/37/40/18/678374018.db2.gz IRLMXXZEDRMTRI-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001043371306 678376945 /nfs/dbraw/zinc/37/69/45/678376945.db2.gz VSEQBHXRQOMQNB-WQGACYEGSA-N 1 1 323.393 -1.336 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043388486 678377297 /nfs/dbraw/zinc/37/72/97/678377297.db2.gz DIUNIIZQTGFEJN-ULKWEWGCSA-N 1 1 322.409 -1.262 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001043428399 678379822 /nfs/dbraw/zinc/37/98/22/678379822.db2.gz MRHOYQDMXQBJGY-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001043432287 678379860 /nfs/dbraw/zinc/37/98/60/678379860.db2.gz XVNOIAAVDRVKSP-UHFFFAOYSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043432981 678379925 /nfs/dbraw/zinc/37/99/25/678379925.db2.gz PWSYNMJZHBDUQQ-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001043454015 678381208 /nfs/dbraw/zinc/38/12/08/678381208.db2.gz DNKHVHCMMFJLEX-LBPRGKRZSA-N 1 1 323.397 -1.087 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043616059 678387210 /nfs/dbraw/zinc/38/72/10/678387210.db2.gz TTWHGDCGOBWPKB-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043668768 678388543 /nfs/dbraw/zinc/38/85/43/678388543.db2.gz CVWPZPXUJIKFPI-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043668768 678388546 /nfs/dbraw/zinc/38/85/46/678388546.db2.gz CVWPZPXUJIKFPI-GHMZBOCLSA-N 1 1 315.370 -1.959 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)O1 ZINC001043671286 678388922 /nfs/dbraw/zinc/38/89/22/678388922.db2.gz SQGXCIQVVITHFE-RKDXNWHRSA-N 1 1 314.342 -3.120 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)O1 ZINC001043671286 678388924 /nfs/dbraw/zinc/38/89/24/678388924.db2.gz SQGXCIQVVITHFE-RKDXNWHRSA-N 1 1 314.342 -3.120 20 0 DAADMO Cc1nonc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043716307 678392063 /nfs/dbraw/zinc/39/20/63/678392063.db2.gz DDXWZGQLHBQTHV-JTQLQIEISA-N 1 1 323.353 -1.225 20 0 DAADMO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC1 ZINC001043806626 678395372 /nfs/dbraw/zinc/39/53/72/678395372.db2.gz GXVIRSIJROMDHL-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043807152 678395618 /nfs/dbraw/zinc/39/56/18/678395618.db2.gz KFGKUCQTBAKGEG-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043807152 678395621 /nfs/dbraw/zinc/39/56/21/678395621.db2.gz KFGKUCQTBAKGEG-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043807152 678395623 /nfs/dbraw/zinc/39/56/23/678395623.db2.gz KFGKUCQTBAKGEG-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)c1cnn[nH]1 ZINC001043807904 678396490 /nfs/dbraw/zinc/39/64/90/678396490.db2.gz ZDQXULJIFGIMOJ-UHFFFAOYSA-N 1 1 320.353 -1.796 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043811427 678397585 /nfs/dbraw/zinc/39/75/85/678397585.db2.gz FCFKCWFIAXJECM-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043811427 678397587 /nfs/dbraw/zinc/39/75/87/678397587.db2.gz FCFKCWFIAXJECM-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043811427 678397590 /nfs/dbraw/zinc/39/75/90/678397590.db2.gz FCFKCWFIAXJECM-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043811425 678397759 /nfs/dbraw/zinc/39/77/59/678397759.db2.gz FCFKCWFIAXJECM-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043811425 678397762 /nfs/dbraw/zinc/39/77/62/678397762.db2.gz FCFKCWFIAXJECM-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043811425 678397763 /nfs/dbraw/zinc/39/77/63/678397763.db2.gz FCFKCWFIAXJECM-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813085 678398297 /nfs/dbraw/zinc/39/82/97/678398297.db2.gz NVMHZGMYMZAUBQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813085 678398301 /nfs/dbraw/zinc/39/83/01/678398301.db2.gz NVMHZGMYMZAUBQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813085 678398306 /nfs/dbraw/zinc/39/83/06/678398306.db2.gz NVMHZGMYMZAUBQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO Cn1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043885529 678403743 /nfs/dbraw/zinc/40/37/43/678403743.db2.gz GCSRGWNBKHWIGR-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1(O)CN(C(=O)C(F)F)C1 ZINC001043891221 678404148 /nfs/dbraw/zinc/40/41/48/678404148.db2.gz JRFPPFGXFFIRGC-UHFFFAOYSA-N 1 1 321.324 -1.337 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043892903 678404272 /nfs/dbraw/zinc/40/42/72/678404272.db2.gz DKVKGRBLQHWVAM-UPJWGTAASA-N 1 1 321.381 -1.492 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001043887610 678404303 /nfs/dbraw/zinc/40/43/03/678404303.db2.gz WKJTWSWVALINTA-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043898768 678404839 /nfs/dbraw/zinc/40/48/39/678404839.db2.gz OSLGUWSZJVYOJF-WOPDTQHZSA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043898768 678404842 /nfs/dbraw/zinc/40/48/42/678404842.db2.gz OSLGUWSZJVYOJF-WOPDTQHZSA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043898765 678404963 /nfs/dbraw/zinc/40/49/63/678404963.db2.gz OSLGUWSZJVYOJF-GRYCIOLGSA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)C1 ZINC001043898765 678404965 /nfs/dbraw/zinc/40/49/65/678404965.db2.gz OSLGUWSZJVYOJF-GRYCIOLGSA-N 1 1 307.354 -1.527 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001043909366 678405355 /nfs/dbraw/zinc/40/53/55/678405355.db2.gz HYOCEXAARVSKMK-UHFFFAOYSA-N 1 1 320.309 -1.422 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043910097 678405367 /nfs/dbraw/zinc/40/53/67/678405367.db2.gz OXDHNUBBYFIUQW-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001043911195 678405401 /nfs/dbraw/zinc/40/54/01/678405401.db2.gz DDQHROLFXVODAI-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H](O)C(C)C)C1 ZINC001043909408 678405528 /nfs/dbraw/zinc/40/55/28/678405528.db2.gz IYJHKVRNVKBWCL-CYBMUJFWSA-N 1 1 324.381 -1.102 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043997004 678408655 /nfs/dbraw/zinc/40/86/55/678408655.db2.gz XZTFWPZAUKPSMO-JTQLQIEISA-N 1 1 324.381 -1.125 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001044007210 678408722 /nfs/dbraw/zinc/40/87/22/678408722.db2.gz IHAUBCJLPRRHBE-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001044039413 678410123 /nfs/dbraw/zinc/41/01/23/678410123.db2.gz JRWQWDOAJDMYSM-NQTXRORDSA-N 1 1 310.354 -1.502 20 0 DAADMO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1C[NH+](CCCO)C1 ZINC001044040043 678410220 /nfs/dbraw/zinc/41/02/20/678410220.db2.gz YRDAQSLLJYHPTR-UHFFFAOYSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(C(=O)Cn1nc2n(c1=O)CCCC2)C1C[NH+](CCCO)C1 ZINC001044149696 678414031 /nfs/dbraw/zinc/41/40/31/678414031.db2.gz YKVCOZHQRZBKSG-UHFFFAOYSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001044262193 678417372 /nfs/dbraw/zinc/41/73/72/678417372.db2.gz MMPZENBQSYGFRC-VIFPVBQESA-N 1 1 312.370 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001044302085 678419068 /nfs/dbraw/zinc/41/90/68/678419068.db2.gz GSNAWZQPKUMQDC-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001044299098 678419369 /nfs/dbraw/zinc/41/93/69/678419369.db2.gz VEWKYVQQBXDCNV-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001044297944 678419469 /nfs/dbraw/zinc/41/94/69/678419469.db2.gz PRPOUAYRDJMOSE-JTQLQIEISA-N 1 1 308.386 -1.297 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001044306890 678419517 /nfs/dbraw/zinc/41/95/17/678419517.db2.gz GSJARKLPNXAOSB-GXSJLCMTSA-N 1 1 305.400 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001044302519 678419613 /nfs/dbraw/zinc/41/96/13/678419613.db2.gz LCGFNMUQTAHGEE-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001044317838 678419741 /nfs/dbraw/zinc/41/97/41/678419741.db2.gz VWWPPINHQQPSJK-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001044317838 678419742 /nfs/dbraw/zinc/41/97/42/678419742.db2.gz VWWPPINHQQPSJK-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001044321462 678420008 /nfs/dbraw/zinc/42/00/08/678420008.db2.gz ZJJNUDOTWRQBPO-AAEUAGOBSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001044321462 678420011 /nfs/dbraw/zinc/42/00/11/678420011.db2.gz ZJJNUDOTWRQBPO-AAEUAGOBSA-N 1 1 312.414 -1.016 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044370677 678422492 /nfs/dbraw/zinc/42/24/92/678422492.db2.gz MKEPHRHZWXRYEG-SNVBAGLBSA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044401551 678424078 /nfs/dbraw/zinc/42/40/78/678424078.db2.gz SDRUTRPJGXFYTH-ZJUUUORDSA-N 1 1 318.341 -1.404 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC001044450042 678427289 /nfs/dbraw/zinc/42/72/89/678427289.db2.gz XGWOVISTQLZWGD-NXEZZACHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC001044450044 678427351 /nfs/dbraw/zinc/42/73/51/678427351.db2.gz XGWOVISTQLZWGD-VHSXEESVSA-N 1 1 320.361 -1.634 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001044451803 678427616 /nfs/dbraw/zinc/42/76/16/678427616.db2.gz KRJARNZDIQJIFA-WDEREUQCSA-N 1 1 324.381 -2.236 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC001044700564 678432013 /nfs/dbraw/zinc/43/20/13/678432013.db2.gz ARWMNJXVHOGJKC-DTWKUNHWSA-N 1 1 320.361 -1.484 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)O1 ZINC001044754883 678432373 /nfs/dbraw/zinc/43/23/73/678432373.db2.gz DCLTYPWVNQALAA-FVCCEPFGSA-N 1 1 321.381 -1.139 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@@H]2O)O1 ZINC001044754883 678432378 /nfs/dbraw/zinc/43/23/78/678432378.db2.gz DCLTYPWVNQALAA-FVCCEPFGSA-N 1 1 321.381 -1.139 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776258 678435595 /nfs/dbraw/zinc/43/55/95/678435595.db2.gz JMIVHYZTSQQBRQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776258 678435599 /nfs/dbraw/zinc/43/55/99/678435599.db2.gz JMIVHYZTSQQBRQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776258 678435606 /nfs/dbraw/zinc/43/56/06/678435606.db2.gz JMIVHYZTSQQBRQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776258 678435610 /nfs/dbraw/zinc/43/56/10/678435610.db2.gz JMIVHYZTSQQBRQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776258 678435612 /nfs/dbraw/zinc/43/56/12/678435612.db2.gz JMIVHYZTSQQBRQ-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)CC1 ZINC001044783501 678437764 /nfs/dbraw/zinc/43/77/64/678437764.db2.gz YEVCXFCFLCXASI-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC1 ZINC001044783501 678437767 /nfs/dbraw/zinc/43/77/67/678437767.db2.gz YEVCXFCFLCXASI-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044789635 678437786 /nfs/dbraw/zinc/43/77/86/678437786.db2.gz PCYXXAINDFPPDO-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cnnn1)c1nnnn1C ZINC001044915196 678439707 /nfs/dbraw/zinc/43/97/07/678439707.db2.gz MVYRCUYGROFSSX-UWVGGRQHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cncn1 ZINC001044929295 678440952 /nfs/dbraw/zinc/44/09/52/678440952.db2.gz RWHCQHPIVRFSLU-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001044948006 678442002 /nfs/dbraw/zinc/44/20/02/678442002.db2.gz ACALPLPMIHRUDR-VIFPVBQESA-N 1 1 316.387 -1.665 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001044958605 678442870 /nfs/dbraw/zinc/44/28/70/678442870.db2.gz OTSZZXHHMNHYMM-VHSXEESVSA-N 1 1 307.358 -1.431 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001045007381 678443126 /nfs/dbraw/zinc/44/31/26/678443126.db2.gz VLNKEBLKKQQNEZ-XQHKEYJVSA-N 1 1 323.393 -1.338 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001045020557 678444429 /nfs/dbraw/zinc/44/44/29/678444429.db2.gz UZFBOGDOIXHGNB-DTWKUNHWSA-N 1 1 309.330 -1.601 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)[nH]1 ZINC001045028735 678444614 /nfs/dbraw/zinc/44/46/14/678444614.db2.gz KVFYNWUTKZRFOG-JTQLQIEISA-N 1 1 319.373 -1.040 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)CC1=O ZINC001045060336 678445434 /nfs/dbraw/zinc/44/54/34/678445434.db2.gz OOGABYCPAGFNLG-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001045102358 678446141 /nfs/dbraw/zinc/44/61/41/678446141.db2.gz NYSLLKVZIJXAMM-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(C)CNC(=O)C1 ZINC001045131468 678446573 /nfs/dbraw/zinc/44/65/73/678446573.db2.gz KJVSYEKPCRWQGK-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001045149651 678446975 /nfs/dbraw/zinc/44/69/75/678446975.db2.gz LXLOIDBKQSGMEW-RYUDHWBXSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccncn3)C2)C1 ZINC001045169170 678447588 /nfs/dbraw/zinc/44/75/88/678447588.db2.gz ALBJFJZZCGKJEJ-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccncn3)C2)C1 ZINC001045169169 678447781 /nfs/dbraw/zinc/44/77/81/678447781.db2.gz ALBJFJZZCGKJEJ-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001045176188 678448273 /nfs/dbraw/zinc/44/82/73/678448273.db2.gz ZYVLFSWKAQWLOW-VHSXEESVSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001045176187 678448450 /nfs/dbraw/zinc/44/84/50/678448450.db2.gz ZYVLFSWKAQWLOW-UWVGGRQHSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001045179707 678448883 /nfs/dbraw/zinc/44/88/83/678448883.db2.gz KQCXNZWXEQJKIN-VIFPVBQESA-N 1 1 307.358 -1.444 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192986 678449883 /nfs/dbraw/zinc/44/98/83/678449883.db2.gz MALNULVCDJMUIF-ZJUUUORDSA-N 1 1 323.353 -1.430 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(C)CCC(=O)N1 ZINC001045188945 678449927 /nfs/dbraw/zinc/44/99/27/678449927.db2.gz XGLOUSNOCCMYHO-HZMBPMFUSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192747 678449947 /nfs/dbraw/zinc/44/99/47/678449947.db2.gz BRVVPOBSWCFOAQ-SNVBAGLBSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncccn2)C1 ZINC001045208469 678450907 /nfs/dbraw/zinc/45/09/07/678450907.db2.gz BAIOLFDQBLWDCZ-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cccnn3)C2)C1 ZINC001045236356 678451699 /nfs/dbraw/zinc/45/16/99/678451699.db2.gz BHWNPHMPOOJXNP-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001045239242 678451762 /nfs/dbraw/zinc/45/17/62/678451762.db2.gz NHMRCBCODXOOST-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CCn2cnnn2)n1 ZINC001045251408 678452555 /nfs/dbraw/zinc/45/25/55/678452555.db2.gz RFXVMZIAVZNFOX-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281540 678453688 /nfs/dbraw/zinc/45/36/88/678453688.db2.gz LOOOVLFKXBKGKZ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001045496758 678460235 /nfs/dbraw/zinc/46/02/35/678460235.db2.gz MYVCKZIVVSTLQQ-QWRGUYRKSA-N 1 1 324.381 -1.964 20 0 DAADMO Cn1cc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)ncc1=O ZINC001045506739 678462423 /nfs/dbraw/zinc/46/24/23/678462423.db2.gz ZUXVZDXPXUMGRR-UHFFFAOYSA-N 1 1 307.354 -1.150 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001045509374 678462714 /nfs/dbraw/zinc/46/27/14/678462714.db2.gz JRVHXPUTBOVVEN-MNOVXSKESA-N 1 1 324.381 -1.822 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001045525986 678465132 /nfs/dbraw/zinc/46/51/32/678465132.db2.gz WFLZRKFOUJUGIT-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001045587286 678468493 /nfs/dbraw/zinc/46/84/93/678468493.db2.gz WJMKJXIGNYXCLY-UHFFFAOYSA-N 1 1 324.381 -1.244 20 0 DAADMO CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045710132 678469465 /nfs/dbraw/zinc/46/94/65/678469465.db2.gz CFSRASHIXJVUDT-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001045738481 678470620 /nfs/dbraw/zinc/47/06/20/678470620.db2.gz FRNRDOWYBCVPOW-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)n1 ZINC001045780983 678470893 /nfs/dbraw/zinc/47/08/93/678470893.db2.gz PEECAGQRXVTJNC-MNOVXSKESA-N 1 1 322.369 -1.565 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)c1=O ZINC001045805115 678471041 /nfs/dbraw/zinc/47/10/41/678471041.db2.gz QKTBVCLCFQLJEQ-MNOVXSKESA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)c1=O ZINC001045805115 678471044 /nfs/dbraw/zinc/47/10/44/678471044.db2.gz QKTBVCLCFQLJEQ-MNOVXSKESA-N 1 1 322.369 -1.868 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045826838 678471100 /nfs/dbraw/zinc/47/11/00/678471100.db2.gz YBTGLOCRVBIQCK-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900109303 678471116 /nfs/dbraw/zinc/47/11/16/678471116.db2.gz IPNKAEKFRREGJU-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900109304 678471141 /nfs/dbraw/zinc/47/11/41/678471141.db2.gz IPNKAEKFRREGJU-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900171083 678471350 /nfs/dbraw/zinc/47/13/50/678471350.db2.gz GQPUFTZCIFPCBQ-IUODEOHRSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900171083 678471353 /nfs/dbraw/zinc/47/13/53/678471353.db2.gz GQPUFTZCIFPCBQ-IUODEOHRSA-N 1 1 312.414 -1.326 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045856690 678471508 /nfs/dbraw/zinc/47/15/08/678471508.db2.gz UJYAIRZXMIOLGJ-VWYCJHECSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ncnn1)C2 ZINC001045939443 678472233 /nfs/dbraw/zinc/47/22/33/678472233.db2.gz BDUZONGNXGONSI-CQSZACIVSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046001144 678472291 /nfs/dbraw/zinc/47/22/91/678472291.db2.gz GUCOSEYTPPZXFH-QWHCGFSZSA-N 1 1 323.401 -1.728 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001045989882 678472372 /nfs/dbraw/zinc/47/23/72/678472372.db2.gz PBVAPGACEJPSIB-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046001851 678472379 /nfs/dbraw/zinc/47/23/79/678472379.db2.gz PMSKHQCFZJDGEV-GFCCVEGCSA-N 1 1 311.365 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001045998670 678472427 /nfs/dbraw/zinc/47/24/27/678472427.db2.gz CFIPKBPDKNADQZ-LBPRGKRZSA-N 1 1 324.381 -1.422 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3=COCCO3)CC2)C1 ZINC001045998670 678472429 /nfs/dbraw/zinc/47/24/29/678472429.db2.gz CFIPKBPDKNADQZ-LBPRGKRZSA-N 1 1 324.381 -1.422 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024016 678472888 /nfs/dbraw/zinc/47/28/88/678472888.db2.gz BRLCOFRSNHFGOW-RYUDHWBXSA-N 1 1 312.370 -1.694 20 0 DAADMO Cn1nccc1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046010581 678472915 /nfs/dbraw/zinc/47/29/15/678472915.db2.gz OUCQLEIQVDILAP-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1nccc1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046010581 678472918 /nfs/dbraw/zinc/47/29/18/678472918.db2.gz OUCQLEIQVDILAP-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046009481 678473112 /nfs/dbraw/zinc/47/31/12/678473112.db2.gz ULRNOOGSFKCWLA-GFCCVEGCSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046009481 678473113 /nfs/dbraw/zinc/47/31/13/678473113.db2.gz ULRNOOGSFKCWLA-GFCCVEGCSA-N 1 1 306.370 -1.273 20 0 DAADMO O=C([C@H]1COCCO1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046009774 678473301 /nfs/dbraw/zinc/47/33/01/678473301.db2.gz ZWXPSOHLJPUBNE-UONOGXRCSA-N 1 1 313.398 -1.387 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)c1N ZINC001046021783 678473308 /nfs/dbraw/zinc/47/33/08/678473308.db2.gz FRTLDDDVLWQDFQ-GFCCVEGCSA-N 1 1 322.413 -1.173 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046023536 678473370 /nfs/dbraw/zinc/47/33/70/678473370.db2.gz PARWHBYIIDNIJE-GFCCVEGCSA-N 1 1 324.385 -1.806 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CC1=O ZINC001046033191 678473734 /nfs/dbraw/zinc/47/37/34/678473734.db2.gz AHLLENIUUHVHPM-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046030298 678473952 /nfs/dbraw/zinc/47/39/52/678473952.db2.gz OAIYDYBNYQQECB-GFCCVEGCSA-N 1 1 309.374 -2.116 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1=O ZINC001046033189 678474008 /nfs/dbraw/zinc/47/40/08/678474008.db2.gz AHLLENIUUHVHPM-KBPBESRZSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)nn1 ZINC001046025558 678474016 /nfs/dbraw/zinc/47/40/16/678474016.db2.gz IECRYKXHPKFDHN-GFCCVEGCSA-N 1 1 308.386 -1.361 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046027432 678474024 /nfs/dbraw/zinc/47/40/24/678474024.db2.gz MGCHFLWAPPNWDN-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046027432 678474025 /nfs/dbraw/zinc/47/40/25/678474025.db2.gz MGCHFLWAPPNWDN-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030337 678474065 /nfs/dbraw/zinc/47/40/65/678474065.db2.gz OUCWWUWQKQSCLR-ZDUSSCGKSA-N 1 1 323.401 -1.462 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046024865 678474231 /nfs/dbraw/zinc/47/42/31/678474231.db2.gz CHRFXSPDUZUXOA-LBPRGKRZSA-N 1 1 308.386 -1.361 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046026551 678474302 /nfs/dbraw/zinc/47/43/02/678474302.db2.gz ZJZJSGVTPJFXER-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046026551 678474304 /nfs/dbraw/zinc/47/43/04/678474304.db2.gz ZJZJSGVTPJFXER-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 ZINC001046041909 678474465 /nfs/dbraw/zinc/47/44/65/678474465.db2.gz UVENQSQNFZJFDF-ZDUSSCGKSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046049482 678474539 /nfs/dbraw/zinc/47/45/39/678474539.db2.gz QAEWBWGNSQYCOG-CHWSQXEVSA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3csnn3)CC2)C1 ZINC001046048402 678474556 /nfs/dbraw/zinc/47/45/56/678474556.db2.gz VFRRHPWTQVSJPF-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3csnn3)CC2)C1 ZINC001046048402 678474558 /nfs/dbraw/zinc/47/45/58/678474558.db2.gz VFRRHPWTQVSJPF-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042881 678474800 /nfs/dbraw/zinc/47/48/00/678474800.db2.gz PDILDLAMQPGIRH-MNOVXSKESA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042881 678474803 /nfs/dbraw/zinc/47/48/03/678474803.db2.gz PDILDLAMQPGIRH-MNOVXSKESA-N 1 1 321.385 -1.489 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046053636 678474893 /nfs/dbraw/zinc/47/48/93/678474893.db2.gz DQLAUAQADSHTAS-LLVKDONJSA-N 1 1 309.374 -1.966 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037043 678474952 /nfs/dbraw/zinc/47/49/52/678474952.db2.gz JTWHWNPWVKQQFB-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC001046049955 678474959 /nfs/dbraw/zinc/47/49/59/678474959.db2.gz AZEUWWPLWOVKGE-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046049484 678474987 /nfs/dbraw/zinc/47/49/87/678474987.db2.gz QAEWBWGNSQYCOG-QWHCGFSZSA-N 1 1 310.398 -1.667 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC001046037355 678475031 /nfs/dbraw/zinc/47/50/31/678475031.db2.gz XMGLUDOXDAGHPU-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046049455 678475133 /nfs/dbraw/zinc/47/51/33/678475133.db2.gz PDRVIWMLLVYNNT-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046054004 678475158 /nfs/dbraw/zinc/47/51/58/678475158.db2.gz ILXDFODFXDGLKM-NWDGAFQWSA-N 1 1 323.401 -1.577 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046054253 678475544 /nfs/dbraw/zinc/47/55/44/678475544.db2.gz KBVOUVQLFUQJDB-LBPRGKRZSA-N 1 1 321.381 -1.406 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046056736 678475570 /nfs/dbraw/zinc/47/55/70/678475570.db2.gz IBIUFNKYUFLPCV-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1=O ZINC001046055367 678475788 /nfs/dbraw/zinc/47/57/88/678475788.db2.gz PCHULMLBGRNGJL-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056969 678475795 /nfs/dbraw/zinc/47/57/95/678475795.db2.gz JASAERPTYZNRCS-NSHDSACASA-N 1 1 311.386 -2.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056760 678475804 /nfs/dbraw/zinc/47/58/04/678475804.db2.gz IJLUKUSHKOZMRD-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046055598 678475823 /nfs/dbraw/zinc/47/58/23/678475823.db2.gz FRYCMASBWMJLLJ-ZIAGYGMSSA-N 1 1 324.425 -1.182 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046056529 678475851 /nfs/dbraw/zinc/47/58/51/678475851.db2.gz GXKANOGKTDCMRF-GHMZBOCLSA-N 1 1 309.370 -2.421 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CCC(=O)N1 ZINC001046060918 678476167 /nfs/dbraw/zinc/47/61/67/678476167.db2.gz HLQYKSBSTNKBMJ-CJNGLKHVSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058509 678476185 /nfs/dbraw/zinc/47/61/85/678476185.db2.gz MNFANZDBJDMCNB-QWRGUYRKSA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001046058509 678476188 /nfs/dbraw/zinc/47/61/88/678476188.db2.gz MNFANZDBJDMCNB-QWRGUYRKSA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058507 678476237 /nfs/dbraw/zinc/47/62/37/678476237.db2.gz MNFANZDBJDMCNB-GHMZBOCLSA-N 1 1 324.385 -2.628 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001046058507 678476239 /nfs/dbraw/zinc/47/62/39/678476239.db2.gz MNFANZDBJDMCNB-GHMZBOCLSA-N 1 1 324.385 -2.628 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046058716 678476247 /nfs/dbraw/zinc/47/62/47/678476247.db2.gz RPGPRGCQGVOKEO-NWDGAFQWSA-N 1 1 311.386 -2.121 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CCNC1=O ZINC001046060566 678476397 /nfs/dbraw/zinc/47/63/97/678476397.db2.gz BWRHCBMYVKGALL-CZUORRHYSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046062815 678476469 /nfs/dbraw/zinc/47/64/69/678476469.db2.gz KAURFKPDGZGCFG-MJBXVCDLSA-N 1 1 324.425 -1.291 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046059100 678476671 /nfs/dbraw/zinc/47/66/71/678476671.db2.gz YWKMUEGOJUWMGZ-RYUDHWBXSA-N 1 1 313.377 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072756 678477010 /nfs/dbraw/zinc/47/70/10/678477010.db2.gz MSOMNKZAWSACLP-GHMZBOCLSA-N 1 1 322.369 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccnn3)CC2)C1 ZINC001046074217 678477262 /nfs/dbraw/zinc/47/72/62/678477262.db2.gz VNVYYNNGMNMJKR-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cccnn3)CC2)C1 ZINC001046074217 678477266 /nfs/dbraw/zinc/47/72/66/678477266.db2.gz VNVYYNNGMNMJKR-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccncn3)CC2)C1 ZINC001046072821 678477324 /nfs/dbraw/zinc/47/73/24/678477324.db2.gz OCIWJSBAQXDVAM-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccncn3)CC2)C1 ZINC001046072821 678477325 /nfs/dbraw/zinc/47/73/25/678477325.db2.gz OCIWJSBAQXDVAM-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079143 678477332 /nfs/dbraw/zinc/47/73/32/678477332.db2.gz QTAFGFQAMVKUMU-OLZOCXBDSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079143 678477334 /nfs/dbraw/zinc/47/73/34/678477334.db2.gz QTAFGFQAMVKUMU-OLZOCXBDSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079143 678477337 /nfs/dbraw/zinc/47/73/37/678477337.db2.gz QTAFGFQAMVKUMU-OLZOCXBDSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001046079141 678477349 /nfs/dbraw/zinc/47/73/49/678477349.db2.gz QTAFGFQAMVKUMU-CHWSQXEVSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079141 678477351 /nfs/dbraw/zinc/47/73/51/678477351.db2.gz QTAFGFQAMVKUMU-CHWSQXEVSA-N 1 1 322.413 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001046079141 678477354 /nfs/dbraw/zinc/47/73/54/678477354.db2.gz QTAFGFQAMVKUMU-CHWSQXEVSA-N 1 1 322.413 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072510 678477375 /nfs/dbraw/zinc/47/73/75/678477375.db2.gz HFWJLNFAAQZTNR-NSHDSACASA-N 1 1 322.369 -1.352 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072757 678477490 /nfs/dbraw/zinc/47/74/90/678477490.db2.gz MSOMNKZAWSACLP-MNOVXSKESA-N 1 1 322.369 -1.225 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046070668 678477516 /nfs/dbraw/zinc/47/75/16/678477516.db2.gz YSYYRFXKLYGKAU-LBPRGKRZSA-N 1 1 308.386 -1.361 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071587 678477525 /nfs/dbraw/zinc/47/75/25/678477525.db2.gz JXIAMAOHELVTIX-QWRGUYRKSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071587 678477527 /nfs/dbraw/zinc/47/75/27/678477527.db2.gz JXIAMAOHELVTIX-QWRGUYRKSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071583 678477688 /nfs/dbraw/zinc/47/76/88/678477688.db2.gz JXIAMAOHELVTIX-GHMZBOCLSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071583 678477692 /nfs/dbraw/zinc/47/76/92/678477692.db2.gz JXIAMAOHELVTIX-GHMZBOCLSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071589 678477717 /nfs/dbraw/zinc/47/77/17/678477717.db2.gz JXIAMAOHELVTIX-WDEREUQCSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071589 678477721 /nfs/dbraw/zinc/47/77/21/678477721.db2.gz JXIAMAOHELVTIX-WDEREUQCSA-N 1 1 321.385 -1.489 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ncccn3)CC2)C1 ZINC001046072408 678477741 /nfs/dbraw/zinc/47/77/41/678477741.db2.gz DDWWXUANULQMOV-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ncccn3)CC2)C1 ZINC001046072408 678477742 /nfs/dbraw/zinc/47/77/42/678477742.db2.gz DDWWXUANULQMOV-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046201060 678479019 /nfs/dbraw/zinc/47/90/19/678479019.db2.gz XQHDWAFRALRRGZ-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217398 678479228 /nfs/dbraw/zinc/47/92/28/678479228.db2.gz GAYZLMVOPLTHHK-IUODEOHRSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217398 678479231 /nfs/dbraw/zinc/47/92/31/678479231.db2.gz GAYZLMVOPLTHHK-IUODEOHRSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046285733 678480412 /nfs/dbraw/zinc/48/04/12/678480412.db2.gz ALSUITZXNOOHIE-HZMBPMFUSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046285733 678480413 /nfs/dbraw/zinc/48/04/13/678480413.db2.gz ALSUITZXNOOHIE-HZMBPMFUSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046289531 678480543 /nfs/dbraw/zinc/48/05/43/678480543.db2.gz XIFVECBMMKOJME-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046289531 678480546 /nfs/dbraw/zinc/48/05/46/678480546.db2.gz XIFVECBMMKOJME-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046283638 678480651 /nfs/dbraw/zinc/48/06/51/678480651.db2.gz LBEOMUMYAXNYBL-MFKMUULPSA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296494 678481017 /nfs/dbraw/zinc/48/10/17/678481017.db2.gz NKUQJZWWCWVDSP-LKFCYVNXSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296494 678481020 /nfs/dbraw/zinc/48/10/20/678481020.db2.gz NKUQJZWWCWVDSP-LKFCYVNXSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293545 678481287 /nfs/dbraw/zinc/48/12/87/678481287.db2.gz MWKRJDYMUZLCED-IINYFYTJSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293545 678481289 /nfs/dbraw/zinc/48/12/89/678481289.db2.gz MWKRJDYMUZLCED-IINYFYTJSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@H+](CC(N)=O)C1 ZINC001046432647 678482154 /nfs/dbraw/zinc/48/21/54/678482154.db2.gz UHPNNPWLIPDPAU-YMTOWFKASA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046432647 678482157 /nfs/dbraw/zinc/48/21/57/678482157.db2.gz UHPNNPWLIPDPAU-YMTOWFKASA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000900807025 678482531 /nfs/dbraw/zinc/48/25/31/678482531.db2.gz VCQFCSYXMAKLCY-ZYHUDNBSSA-N 1 1 318.443 -1.372 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@H+](CC(N)=O)C1 ZINC001046463087 678482803 /nfs/dbraw/zinc/48/28/03/678482803.db2.gz CXZGPAZTQDZFJF-QMTHXVAHSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@@H+](CC(N)=O)C1 ZINC001046463087 678482804 /nfs/dbraw/zinc/48/28/04/678482804.db2.gz CXZGPAZTQDZFJF-QMTHXVAHSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@H+](CC(N)=O)C1 ZINC001046463085 678482893 /nfs/dbraw/zinc/48/28/93/678482893.db2.gz CXZGPAZTQDZFJF-IINYFYTJSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@@H+](CC(N)=O)C1 ZINC001046463085 678482897 /nfs/dbraw/zinc/48/28/97/678482897.db2.gz CXZGPAZTQDZFJF-IINYFYTJSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500336 678483451 /nfs/dbraw/zinc/48/34/51/678483451.db2.gz ZJAQOYYBOHJQFD-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001046500336 678483455 /nfs/dbraw/zinc/48/34/55/678483455.db2.gz ZJAQOYYBOHJQFD-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001046525604 678484061 /nfs/dbraw/zinc/48/40/61/678484061.db2.gz ONTARNUIGLOMAT-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046538760 678484078 /nfs/dbraw/zinc/48/40/78/678484078.db2.gz LMBDRJKCHKLYJH-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046538760 678484083 /nfs/dbraw/zinc/48/40/83/678484083.db2.gz LMBDRJKCHKLYJH-XHDPSFHLSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001046531054 678484093 /nfs/dbraw/zinc/48/40/93/678484093.db2.gz HPUVNZGQEHFPPV-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC001046531054 678484096 /nfs/dbraw/zinc/48/40/96/678484096.db2.gz HPUVNZGQEHFPPV-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC001046531054 678484098 /nfs/dbraw/zinc/48/40/98/678484098.db2.gz HPUVNZGQEHFPPV-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001046531199 678484214 /nfs/dbraw/zinc/48/42/14/678484214.db2.gz KHEWGDMLEUMIDL-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2n[nH]nc2C)C1 ZINC001046531668 678484446 /nfs/dbraw/zinc/48/44/46/678484446.db2.gz SZIWELVSRPFQJL-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 ZINC001046531668 678484450 /nfs/dbraw/zinc/48/44/50/678484450.db2.gz SZIWELVSRPFQJL-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 ZINC001046531668 678484453 /nfs/dbraw/zinc/48/44/53/678484453.db2.gz SZIWELVSRPFQJL-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542623 678485118 /nfs/dbraw/zinc/48/51/18/678485118.db2.gz JZIJFGPZVLMJPU-XHDPSFHLSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542623 678485119 /nfs/dbraw/zinc/48/51/19/678485119.db2.gz JZIJFGPZVLMJPU-XHDPSFHLSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542622 678485222 /nfs/dbraw/zinc/48/52/22/678485222.db2.gz JZIJFGPZVLMJPU-NHYWBVRUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542622 678485226 /nfs/dbraw/zinc/48/52/26/678485226.db2.gz JZIJFGPZVLMJPU-NHYWBVRUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549124 678485572 /nfs/dbraw/zinc/48/55/72/678485572.db2.gz YDXQDNLSSJZABV-ISVAXAHUSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046549124 678485575 /nfs/dbraw/zinc/48/55/75/678485575.db2.gz YDXQDNLSSJZABV-ISVAXAHUSA-N 1 1 321.341 -1.791 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549253 678485730 /nfs/dbraw/zinc/48/57/30/678485730.db2.gz ZZLTXPGIEXJBMY-NOZJJQNGSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549253 678485733 /nfs/dbraw/zinc/48/57/33/678485733.db2.gz ZZLTXPGIEXJBMY-NOZJJQNGSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046586035 678486895 /nfs/dbraw/zinc/48/68/95/678486895.db2.gz IULDTGIYNOLLFZ-HZMBPMFUSA-N 1 1 324.385 -1.726 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046629099 678487512 /nfs/dbraw/zinc/48/75/12/678487512.db2.gz XCKJYAOZGAHFDW-JRPNMDOOSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046629099 678487516 /nfs/dbraw/zinc/48/75/16/678487516.db2.gz XCKJYAOZGAHFDW-JRPNMDOOSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001046684384 678488128 /nfs/dbraw/zinc/48/81/28/678488128.db2.gz HGGFVWAHQBMMFF-PWSUYJOCSA-N 1 1 321.381 -1.090 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046660625 678488155 /nfs/dbraw/zinc/48/81/55/678488155.db2.gz ABBBMIYVTWVSTG-SDBXPKJASA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046660625 678488158 /nfs/dbraw/zinc/48/81/58/678488158.db2.gz ABBBMIYVTWVSTG-SDBXPKJASA-N 1 1 311.342 -2.089 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001046684382 678488210 /nfs/dbraw/zinc/48/82/10/678488210.db2.gz HGGFVWAHQBMMFF-CMPLNLGQSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670080 678488302 /nfs/dbraw/zinc/48/83/02/678488302.db2.gz KHLXOSGKVKCAEJ-MEBBXXQBSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2ncn[n-]2)C1 ZINC001046671767 678488384 /nfs/dbraw/zinc/48/83/84/678488384.db2.gz LTTRQMQTDKNCLZ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046671767 678488387 /nfs/dbraw/zinc/48/83/87/678488387.db2.gz LTTRQMQTDKNCLZ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046671767 678488389 /nfs/dbraw/zinc/48/83/89/678488389.db2.gz LTTRQMQTDKNCLZ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046683572 678488395 /nfs/dbraw/zinc/48/83/95/678488395.db2.gz CJWWDPBMPOXIQS-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046694468 678488637 /nfs/dbraw/zinc/48/86/37/678488637.db2.gz AYPDCGNDQFDFOW-CQSZACIVSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046694468 678488642 /nfs/dbraw/zinc/48/86/42/678488642.db2.gz AYPDCGNDQFDFOW-CQSZACIVSA-N 1 1 310.354 -1.634 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685199 678488761 /nfs/dbraw/zinc/48/87/61/678488761.db2.gz QBWMHQKTFUWQIV-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046696612 678488775 /nfs/dbraw/zinc/48/87/75/678488775.db2.gz ZIUJHZYQQGDAHO-BMIGLBTASA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001046699690 678488933 /nfs/dbraw/zinc/48/89/33/678488933.db2.gz PQYOIKOAVDMDRP-ZUZCIYMTSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001046699690 678488934 /nfs/dbraw/zinc/48/89/34/678488934.db2.gz PQYOIKOAVDMDRP-ZUZCIYMTSA-N 1 1 322.365 -1.492 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695765 678488942 /nfs/dbraw/zinc/48/89/42/678488942.db2.gz OQTWEMKBJSQQIE-OAHLLOKOSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695765 678488944 /nfs/dbraw/zinc/48/89/44/678488944.db2.gz OQTWEMKBJSQQIE-OAHLLOKOSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001046686094 678488967 /nfs/dbraw/zinc/48/89/67/678488967.db2.gz ZBSNFWNGOIRWFN-NXEZZACHSA-N 1 1 323.353 -1.430 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001046696698 678488981 /nfs/dbraw/zinc/48/89/81/678488981.db2.gz XYXOGVQQVUXKIW-UHFFFAOYSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001046686097 678489005 /nfs/dbraw/zinc/48/90/05/678489005.db2.gz ZBSNFWNGOIRWFN-ZJUUUORDSA-N 1 1 323.353 -1.430 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685200 678489029 /nfs/dbraw/zinc/48/90/29/678489029.db2.gz QBWMHQKTFUWQIV-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO CCn1nc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001046706684 678489457 /nfs/dbraw/zinc/48/94/57/678489457.db2.gz LSSRXJGJUUZBFH-CQSZACIVSA-N 1 1 307.354 -1.057 20 0 DAADMO CCn1nc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001046706684 678489461 /nfs/dbraw/zinc/48/94/61/678489461.db2.gz LSSRXJGJUUZBFH-CQSZACIVSA-N 1 1 307.354 -1.057 20 0 DAADMO C[C@@]1(NC(=O)c2nnc[nH]2)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001046711215 678489577 /nfs/dbraw/zinc/48/95/77/678489577.db2.gz GCKQTEKNUFTJCH-CYBMUJFWSA-N 1 1 321.341 -1.449 20 0 DAADMO Cn1ncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703432 678489608 /nfs/dbraw/zinc/48/96/08/678489608.db2.gz SGSYAYYDWCTFQZ-QMTHXVAHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046703432 678489609 /nfs/dbraw/zinc/48/96/09/678489609.db2.gz SGSYAYYDWCTFQZ-QMTHXVAHSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768781 678491153 /nfs/dbraw/zinc/49/11/53/678491153.db2.gz GEQGBCXWLKXHIO-OTYXRUKQSA-N 1 1 320.353 -1.007 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000901085746 678492082 /nfs/dbraw/zinc/49/20/82/678492082.db2.gz YFHKSVBUTHGJQV-NSHDSACASA-N 1 1 307.354 -1.074 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828305 678492220 /nfs/dbraw/zinc/49/22/20/678492220.db2.gz DTTNWXOQVIPKCJ-RMLUDKJBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828305 678492224 /nfs/dbraw/zinc/49/22/24/678492224.db2.gz DTTNWXOQVIPKCJ-RMLUDKJBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854450 678492322 /nfs/dbraw/zinc/49/23/22/678492322.db2.gz PIJOZGWQSYWPJI-SDBXPKJASA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854450 678492323 /nfs/dbraw/zinc/49/23/23/678492323.db2.gz PIJOZGWQSYWPJI-SDBXPKJASA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823173 678492512 /nfs/dbraw/zinc/49/25/12/678492512.db2.gz ZHRUHMODABZEDF-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823173 678492514 /nfs/dbraw/zinc/49/25/14/678492514.db2.gz ZHRUHMODABZEDF-OTYXRUKQSA-N 1 1 307.354 -1.152 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854468 678492578 /nfs/dbraw/zinc/49/25/78/678492578.db2.gz PQSYGJZNLCSLGR-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001046830578 678492632 /nfs/dbraw/zinc/49/26/32/678492632.db2.gz UQEJTOYAVJEHGJ-CYBMUJFWSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001046830578 678492635 /nfs/dbraw/zinc/49/26/35/678492635.db2.gz UQEJTOYAVJEHGJ-CYBMUJFWSA-N 1 1 309.326 -1.835 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046821313 678492674 /nfs/dbraw/zinc/49/26/74/678492674.db2.gz UKWKNHJYTDOQFA-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046821313 678492675 /nfs/dbraw/zinc/49/26/75/678492675.db2.gz UKWKNHJYTDOQFA-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854881 678492958 /nfs/dbraw/zinc/49/29/58/678492958.db2.gz VZJLAOOBHARBBC-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046858335 678493123 /nfs/dbraw/zinc/49/31/23/678493123.db2.gz DKHGKFFWQHREQN-CQSZACIVSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046858335 678493129 /nfs/dbraw/zinc/49/31/29/678493129.db2.gz DKHGKFFWQHREQN-CQSZACIVSA-N 1 1 309.370 -1.336 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCc3nncn3C2)CC[N@H+](CC(N)=O)C1 ZINC001046855763 678493407 /nfs/dbraw/zinc/49/34/07/678493407.db2.gz WKCJKRMLXSXQFW-IINYFYTJSA-N 1 1 306.370 -1.094 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCc3nncn3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046855763 678493408 /nfs/dbraw/zinc/49/34/08/678493408.db2.gz WKCJKRMLXSXQFW-IINYFYTJSA-N 1 1 306.370 -1.094 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046870911 678494454 /nfs/dbraw/zinc/49/44/54/678494454.db2.gz IFTZCEMOJURCAP-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904824 678496573 /nfs/dbraw/zinc/49/65/73/678496573.db2.gz JNLCJDOXHREQOF-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046909351 678497095 /nfs/dbraw/zinc/49/70/95/678497095.db2.gz KCDOMLCAZBESMT-UHFFFAOYSA-N 1 1 324.385 -1.623 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046909351 678497098 /nfs/dbraw/zinc/49/70/98/678497098.db2.gz KCDOMLCAZBESMT-UHFFFAOYSA-N 1 1 324.385 -1.623 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046909351 678497100 /nfs/dbraw/zinc/49/71/00/678497100.db2.gz KCDOMLCAZBESMT-UHFFFAOYSA-N 1 1 324.385 -1.623 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCC2(F)F)n1 ZINC001046963140 678497660 /nfs/dbraw/zinc/49/76/60/678497660.db2.gz DZQQYCVHGVKGNS-QMMMGPOBSA-N 1 1 304.301 -1.111 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c1=O ZINC001047096587 678499492 /nfs/dbraw/zinc/49/94/92/678499492.db2.gz BAUUFMWFQISWFP-TUAOUCFPSA-N 1 1 309.370 -1.457 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)C1=O ZINC001047182436 678501438 /nfs/dbraw/zinc/50/14/38/678501438.db2.gz YWCRIXRLFDHRLT-SRVKXCTJSA-N 1 1 324.381 -1.158 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047177683 678501670 /nfs/dbraw/zinc/50/16/70/678501670.db2.gz UCSWXLQGZNREIL-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001047177683 678501672 /nfs/dbraw/zinc/50/16/72/678501672.db2.gz UCSWXLQGZNREIL-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001047177683 678501673 /nfs/dbraw/zinc/50/16/73/678501673.db2.gz UCSWXLQGZNREIL-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047172676 678501925 /nfs/dbraw/zinc/50/19/25/678501925.db2.gz WJFBJSAGBVDYIB-GFCCVEGCSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C(=O)C1CCC1)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047273071 678502555 /nfs/dbraw/zinc/50/25/55/678502555.db2.gz KKILGJKDLMTYIK-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN(C(=O)C1CCC1)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047273071 678502557 /nfs/dbraw/zinc/50/25/57/678502557.db2.gz KKILGJKDLMTYIK-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)nn1 ZINC001047208326 678502602 /nfs/dbraw/zinc/50/26/02/678502602.db2.gz DFGOVEAFYHHAMF-AXFHLTTASA-N 1 1 322.369 -1.662 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047296079 678503600 /nfs/dbraw/zinc/50/36/00/678503600.db2.gz WCIDMQDJPQMDRW-AVGNSLFASA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047295450 678503742 /nfs/dbraw/zinc/50/37/42/678503742.db2.gz LZNHJYHVVTVNHU-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047295450 678503746 /nfs/dbraw/zinc/50/37/46/678503746.db2.gz LZNHJYHVVTVNHU-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047295162 678503775 /nfs/dbraw/zinc/50/37/75/678503775.db2.gz IIQYFBMGZYCRTD-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047298177 678504436 /nfs/dbraw/zinc/50/44/36/678504436.db2.gz ZGEHLCVLSAZYRA-RYUDHWBXSA-N 1 1 320.357 -1.890 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047298177 678504439 /nfs/dbraw/zinc/50/44/39/678504439.db2.gz ZGEHLCVLSAZYRA-RYUDHWBXSA-N 1 1 320.357 -1.890 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047297858 678504815 /nfs/dbraw/zinc/50/48/15/678504815.db2.gz VCKIHFLFTOIFOE-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047297858 678504819 /nfs/dbraw/zinc/50/48/19/678504819.db2.gz VCKIHFLFTOIFOE-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CC(C)C(=O)N(C)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047308011 678505452 /nfs/dbraw/zinc/50/54/52/678505452.db2.gz FCCRGGGUSOLCES-QWRGUYRKSA-N 1 1 312.370 -1.302 20 0 DAADMO CC(C)C(=O)N(C)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047308011 678505455 /nfs/dbraw/zinc/50/54/55/678505455.db2.gz FCCRGGGUSOLCES-QWRGUYRKSA-N 1 1 312.370 -1.302 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047322639 678506822 /nfs/dbraw/zinc/50/68/22/678506822.db2.gz RQMTWRCIPMMRNK-AGIUHOORSA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047322639 678506826 /nfs/dbraw/zinc/50/68/26/678506826.db2.gz RQMTWRCIPMMRNK-AGIUHOORSA-N 1 1 309.370 -1.182 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001047320628 678506897 /nfs/dbraw/zinc/50/68/97/678506897.db2.gz RZTPRHPRYVHZCZ-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001047320628 678506899 /nfs/dbraw/zinc/50/68/99/678506899.db2.gz RZTPRHPRYVHZCZ-AGIUHOORSA-N 1 1 323.397 -1.270 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047323602 678507289 /nfs/dbraw/zinc/50/72/89/678507289.db2.gz ZKRAYJKZNLXKLA-IHRRRGAJSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C(=O)c1cocn1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047323713 678507781 /nfs/dbraw/zinc/50/77/81/678507781.db2.gz YAHFWGIAFZWCMV-RYUDHWBXSA-N 1 1 323.353 -1.183 20 0 DAADMO CN(C(=O)c1cocn1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047323713 678507785 /nfs/dbraw/zinc/50/77/85/678507785.db2.gz YAHFWGIAFZWCMV-RYUDHWBXSA-N 1 1 323.353 -1.183 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001047331124 678508743 /nfs/dbraw/zinc/50/87/43/678508743.db2.gz AYTRUVVFVQWAMP-DLOVCJGASA-N 1 1 309.370 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333355 678509393 /nfs/dbraw/zinc/50/93/93/678509393.db2.gz ZUKPBLAGEFBLRT-WOPDTQHZSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001047333355 678509396 /nfs/dbraw/zinc/50/93/96/678509396.db2.gz ZUKPBLAGEFBLRT-WOPDTQHZSA-N 1 1 309.370 -1.280 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047350803 678509629 /nfs/dbraw/zinc/50/96/29/678509629.db2.gz MPNHXDIFCJNELW-RDBSUJKOSA-N 1 1 315.414 -1.143 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047354335 678510121 /nfs/dbraw/zinc/51/01/21/678510121.db2.gz CHLKHUVMMRKVRP-DCAQKATOSA-N 1 1 313.358 -1.478 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047353609 678510392 /nfs/dbraw/zinc/51/03/92/678510392.db2.gz HYXPZWCXBUQGNF-IHRRRGAJSA-N 1 1 315.414 -1.143 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047367076 678511771 /nfs/dbraw/zinc/51/17/71/678511771.db2.gz DOZLKUYYPGOSRB-SRVKXCTJSA-N 1 1 323.353 -1.505 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367933 678511785 /nfs/dbraw/zinc/51/17/85/678511785.db2.gz PDBTVYQTSFIDLC-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367933 678511788 /nfs/dbraw/zinc/51/17/88/678511788.db2.gz PDBTVYQTSFIDLC-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047368731 678512051 /nfs/dbraw/zinc/51/20/51/678512051.db2.gz RCUBCOPTWIVQJT-DRZSPHRISA-N 1 1 309.370 -1.031 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047368732 678512188 /nfs/dbraw/zinc/51/21/88/678512188.db2.gz RCUBCOPTWIVQJT-WXHSDQCUSA-N 1 1 309.370 -1.031 20 0 DAADMO Cc1cccn(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001047380803 678513616 /nfs/dbraw/zinc/51/36/16/678513616.db2.gz XUIGWIWBHLJSJH-STQMWFEESA-N 1 1 309.366 -1.347 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1)OC ZINC001047381635 678514102 /nfs/dbraw/zinc/51/41/02/678514102.db2.gz PALRVOPBXYYPBX-SRVKXCTJSA-N 1 1 312.374 -1.398 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047382066 678514222 /nfs/dbraw/zinc/51/42/22/678514222.db2.gz VFFWQXQQANAHTD-WOPDTQHZSA-N 1 1 310.358 -1.787 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047382050 678514249 /nfs/dbraw/zinc/51/42/49/678514249.db2.gz UKVJBVOIKPKURU-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047382050 678514253 /nfs/dbraw/zinc/51/42/53/678514253.db2.gz UKVJBVOIKPKURU-DCAQKATOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047381208 678514289 /nfs/dbraw/zinc/51/42/89/678514289.db2.gz HHJBYVINKHEJGT-STQMWFEESA-N 1 1 324.385 -1.397 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381795 678514424 /nfs/dbraw/zinc/51/44/24/678514424.db2.gz RTTJLDUUMMVYQC-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381795 678514427 /nfs/dbraw/zinc/51/44/27/678514427.db2.gz RTTJLDUUMMVYQC-VWYCJHECSA-N 1 1 300.338 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 ZINC001047394363 678514878 /nfs/dbraw/zinc/51/48/78/678514878.db2.gz CYCAYBKYSSPQGF-DLOVCJGASA-N 1 1 320.353 -1.378 20 0 DAADMO CCN1C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1=O ZINC001047401069 678515713 /nfs/dbraw/zinc/51/57/13/678515713.db2.gz BRRRECVPSNWBTI-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397903 678515942 /nfs/dbraw/zinc/51/59/42/678515942.db2.gz NMBNGGXOVFRJGG-VWYCJHECSA-N 1 1 310.358 -1.955 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397903 678515945 /nfs/dbraw/zinc/51/59/45/678515945.db2.gz NMBNGGXOVFRJGG-VWYCJHECSA-N 1 1 310.358 -1.955 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001047402085 678516230 /nfs/dbraw/zinc/51/62/30/678516230.db2.gz MIGKYQIBPFXTPO-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001047405582 678516407 /nfs/dbraw/zinc/51/64/07/678516407.db2.gz LDTVHBQOKFMZFX-ZHAHWJHGSA-N 1 1 320.353 -1.149 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047402048 678516602 /nfs/dbraw/zinc/51/66/02/678516602.db2.gz KVHJJZUGUOHNMS-QWRGUYRKSA-N 1 1 321.399 -2.482 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047414007 678516976 /nfs/dbraw/zinc/51/69/76/678516976.db2.gz VCVWYWOIUTYOPC-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047411059 678517101 /nfs/dbraw/zinc/51/71/01/678517101.db2.gz TWMSDJXSVLZVRX-WOPDTQHZSA-N 1 1 315.370 -2.271 20 0 DAADMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(=O)[nH]c1C ZINC001047425004 678518320 /nfs/dbraw/zinc/51/83/20/678518320.db2.gz CYTVTWMABKBXLR-UWJYBYFXSA-N 1 1 324.381 -1.115 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001047432771 678518406 /nfs/dbraw/zinc/51/84/06/678518406.db2.gz HLGNRWUUHXHFNM-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047428337 678518460 /nfs/dbraw/zinc/51/84/60/678518460.db2.gz GSKSGTNBVGZVRO-HUBLWGQQSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)c1cn2c(n1)COCC2)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047428001 678518513 /nfs/dbraw/zinc/51/85/13/678518513.db2.gz SDXUITGNKVEXFN-STQMWFEESA-N 1 1 324.381 -1.087 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047434748 678519005 /nfs/dbraw/zinc/51/90/05/678519005.db2.gz YZCYEQPFRCAUQE-STQMWFEESA-N 1 1 323.397 -1.115 20 0 DAADMO CN(C(=O)[C@H]1CCc2nccn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047435591 678519378 /nfs/dbraw/zinc/51/93/78/678519378.db2.gz KSEBPVFTOWBTJL-AVGNSLFASA-N 1 1 308.382 -1.059 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433994 678519519 /nfs/dbraw/zinc/51/95/19/678519519.db2.gz PFTPSXFCMDMCFN-VWYCJHECSA-N 1 1 313.358 -2.534 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001047434043 678519587 /nfs/dbraw/zinc/51/95/87/678519587.db2.gz QQLNLQRKUVYSSK-MJBXVCDLSA-N 1 1 315.414 -1.143 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047441530 678520192 /nfs/dbraw/zinc/52/01/92/678520192.db2.gz QXNQNHVPNRMDRA-STQMWFEESA-N 1 1 309.366 -1.115 20 0 DAADMO CN(C(=O)CN1CCCCC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047439113 678520223 /nfs/dbraw/zinc/52/02/23/678520223.db2.gz YFXCEPWPZQWYSE-STQMWFEESA-N 1 1 313.398 -1.115 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001047444018 678521075 /nfs/dbraw/zinc/52/10/75/678521075.db2.gz UPDNTCLFPVXJEU-STQMWFEESA-N 1 1 324.381 -1.113 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001047631026 678538490 /nfs/dbraw/zinc/53/84/90/678538490.db2.gz GIDCWTSBBYWKNZ-DCAQKATOSA-N 1 1 305.400 -1.410 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)o2)C1 ZINC001047451782 678521507 /nfs/dbraw/zinc/52/15/07/678521507.db2.gz MBFHELSNIGYCFB-GUBZILKMSA-N 1 1 311.338 -1.124 20 0 DAADMO CCn1cc(CC(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)nn1 ZINC001047466631 678522137 /nfs/dbraw/zinc/52/21/37/678522137.db2.gz SBEZQXVUBLAESB-STQMWFEESA-N 1 1 311.386 -1.010 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001047457848 678522150 /nfs/dbraw/zinc/52/21/50/678522150.db2.gz PUMHOJPUOLPOCN-RYUDHWBXSA-N 1 1 320.353 -1.112 20 0 DAADMO CCn1cc(CC(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001047465949 678522336 /nfs/dbraw/zinc/52/23/36/678522336.db2.gz IXTSJSMTDBRZQF-STQMWFEESA-N 1 1 311.386 -1.274 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047462752 678522352 /nfs/dbraw/zinc/52/23/52/678522352.db2.gz LWNNYUDXBBMADM-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458622 678522375 /nfs/dbraw/zinc/52/23/75/678522375.db2.gz WYLOFDDJEHATQT-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)c1csnn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047474764 678522893 /nfs/dbraw/zinc/52/28/93/678522893.db2.gz QQKVVFMBWYGISA-QWRGUYRKSA-N 1 1 323.382 -1.053 20 0 DAADMO CN(C(=O)c1csnn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047474764 678522897 /nfs/dbraw/zinc/52/28/97/678522897.db2.gz QQKVVFMBWYGISA-QWRGUYRKSA-N 1 1 323.382 -1.053 20 0 DAADMO CN(C(=O)c1cnn2cccnc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047481831 678523540 /nfs/dbraw/zinc/52/35/40/678523540.db2.gz JAPNHHZLUXDEQA-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001047483993 678524045 /nfs/dbraw/zinc/52/40/45/678524045.db2.gz XMPLUVNQERROOH-DCAQKATOSA-N 1 1 300.359 -1.840 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047483010 678524139 /nfs/dbraw/zinc/52/41/39/678524139.db2.gz SQDPQGVGTYYIMM-DLOVCJGASA-N 1 1 312.370 -1.073 20 0 DAADMO CN(C(=O)c1ccn2nnnc2c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047483157 678524216 /nfs/dbraw/zinc/52/42/16/678524216.db2.gz YZPWXRUQMRIHFG-QWRGUYRKSA-N 1 1 306.326 -1.766 20 0 DAADMO CN(C(=O)c1ccn2nnnc2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047483157 678524218 /nfs/dbraw/zinc/52/42/18/678524218.db2.gz YZPWXRUQMRIHFG-QWRGUYRKSA-N 1 1 306.326 -1.766 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047484345 678524252 /nfs/dbraw/zinc/52/42/52/678524252.db2.gz URQYPFCAWYMHRW-KBPBESRZSA-N 1 1 324.425 -1.278 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047484351 678524303 /nfs/dbraw/zinc/52/43/03/678524303.db2.gz UYXAMFBHFBAIRG-STQMWFEESA-N 1 1 312.414 -1.422 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047490383 678524677 /nfs/dbraw/zinc/52/46/77/678524677.db2.gz TUBCMWJLPDPNNS-UWVGGRQHSA-N 1 1 321.345 -2.381 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047490383 678524679 /nfs/dbraw/zinc/52/46/79/678524679.db2.gz TUBCMWJLPDPNNS-UWVGGRQHSA-N 1 1 321.345 -2.381 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047497137 678525451 /nfs/dbraw/zinc/52/54/51/678525451.db2.gz OJSODZJXQQPFGJ-LSJOCFKGSA-N 1 1 310.354 -1.011 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047505769 678525978 /nfs/dbraw/zinc/52/59/78/678525978.db2.gz VQRCNFQGXQUAET-DLOVCJGASA-N 1 1 310.354 -1.078 20 0 DAADMO CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047501816 678526069 /nfs/dbraw/zinc/52/60/69/678526069.db2.gz WKXBZYOTVYWYAW-QWRGUYRKSA-N 1 1 321.337 -1.227 20 0 DAADMO CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047501816 678526071 /nfs/dbraw/zinc/52/60/71/678526071.db2.gz WKXBZYOTVYWYAW-QWRGUYRKSA-N 1 1 321.337 -1.227 20 0 DAADMO CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047500306 678526167 /nfs/dbraw/zinc/52/61/67/678526167.db2.gz AEFOCDKZLYHZJO-BPNCWPANSA-N 1 1 323.397 -1.584 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047506326 678526437 /nfs/dbraw/zinc/52/64/37/678526437.db2.gz AVYKLNNPJJEGHB-WOPDTQHZSA-N 1 1 322.369 -1.932 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001047507153 678526883 /nfs/dbraw/zinc/52/68/83/678526883.db2.gz QEPBZLIFFCAQKR-RYUDHWBXSA-N 1 1 320.349 -1.726 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001047507153 678526884 /nfs/dbraw/zinc/52/68/84/678526884.db2.gz QEPBZLIFFCAQKR-RYUDHWBXSA-N 1 1 320.349 -1.726 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047508243 678527035 /nfs/dbraw/zinc/52/70/35/678527035.db2.gz WYZQOIXIVGMMFU-AGIUHOORSA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047508243 678527038 /nfs/dbraw/zinc/52/70/38/678527038.db2.gz WYZQOIXIVGMMFU-AGIUHOORSA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001047510609 678527073 /nfs/dbraw/zinc/52/70/73/678527073.db2.gz WYAUGSCFEZVDPK-STQMWFEESA-N 1 1 307.350 -1.332 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001047510609 678527077 /nfs/dbraw/zinc/52/70/77/678527077.db2.gz WYAUGSCFEZVDPK-STQMWFEESA-N 1 1 307.350 -1.332 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001047511239 678527095 /nfs/dbraw/zinc/52/70/95/678527095.db2.gz SPSMUECLNXVYJG-IUCAKERBSA-N 1 1 312.326 -2.876 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001047511239 678527099 /nfs/dbraw/zinc/52/70/99/678527099.db2.gz SPSMUECLNXVYJG-IUCAKERBSA-N 1 1 312.326 -2.876 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)cn1 ZINC001047510227 678527399 /nfs/dbraw/zinc/52/73/99/678527399.db2.gz JJODCVLOVZOGKU-RYUDHWBXSA-N 1 1 309.370 -1.566 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)cn1 ZINC001047510227 678527401 /nfs/dbraw/zinc/52/74/01/678527401.db2.gz JJODCVLOVZOGKU-RYUDHWBXSA-N 1 1 309.370 -1.566 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001047510681 678527426 /nfs/dbraw/zinc/52/74/26/678527426.db2.gz AHBYDZOMYWWAPA-VWYCJHECSA-N 1 1 311.342 -2.767 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)co1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047524873 678527851 /nfs/dbraw/zinc/52/78/51/678527851.db2.gz TWNAMUADKYGBEL-QWRGUYRKSA-N 1 1 311.338 -1.122 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047528676 678528299 /nfs/dbraw/zinc/52/82/99/678528299.db2.gz XJEUCJPWULQWTP-AVGNSLFASA-N 1 1 312.414 -1.280 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047529804 678528398 /nfs/dbraw/zinc/52/83/98/678528398.db2.gz PFNFVJGKVCENAL-VOAKCMCISA-N 1 1 321.381 -1.492 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001047528808 678528685 /nfs/dbraw/zinc/52/86/85/678528685.db2.gz CUCNIPQBUSJESA-RYUDHWBXSA-N 1 1 310.354 -1.123 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047549249 678529622 /nfs/dbraw/zinc/52/96/22/678529622.db2.gz PRDXHWBREBGXQY-GUBZILKMSA-N 1 1 314.342 -2.530 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047563049 678530407 /nfs/dbraw/zinc/53/04/07/678530407.db2.gz BRQHTQVLYJKXKR-WXHSDQCUSA-N 1 1 309.370 -1.031 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001047561827 678530504 /nfs/dbraw/zinc/53/05/04/678530504.db2.gz XPDFTBYUOKHFBB-SRVKXCTJSA-N 1 1 319.427 -1.066 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047567519 678530981 /nfs/dbraw/zinc/53/09/81/678530981.db2.gz KKSVORHENUPGSE-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001047568933 678531072 /nfs/dbraw/zinc/53/10/72/678531072.db2.gz OTZOYBHGEPNGLU-QWRGUYRKSA-N 1 1 320.353 -1.112 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001047568933 678531073 /nfs/dbraw/zinc/53/10/73/678531073.db2.gz OTZOYBHGEPNGLU-QWRGUYRKSA-N 1 1 320.353 -1.112 20 0 DAADMO CCn1nc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001047569595 678531413 /nfs/dbraw/zinc/53/14/13/678531413.db2.gz AWBVHVKCYXJWDR-STQMWFEESA-N 1 1 324.381 -1.237 20 0 DAADMO CN(C(=O)c1cc2ncccn2n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047572964 678532018 /nfs/dbraw/zinc/53/20/18/678532018.db2.gz UQLVSMDCRPVDHK-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cc2ncccn2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047572964 678532021 /nfs/dbraw/zinc/53/20/21/678532021.db2.gz UQLVSMDCRPVDHK-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047585040 678532998 /nfs/dbraw/zinc/53/29/98/678532998.db2.gz JWMZYSBYBRZNDV-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047585040 678533000 /nfs/dbraw/zinc/53/30/00/678533000.db2.gz JWMZYSBYBRZNDV-VOAKCMCISA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047579989 678533054 /nfs/dbraw/zinc/53/30/54/678533054.db2.gz XMDCADFERSFCTF-SRVKXCTJSA-N 1 1 321.381 -1.314 20 0 DAADMO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047579989 678533056 /nfs/dbraw/zinc/53/30/56/678533056.db2.gz XMDCADFERSFCTF-SRVKXCTJSA-N 1 1 321.381 -1.314 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578469 678533100 /nfs/dbraw/zinc/53/31/00/678533100.db2.gz CLYIISSTNONFHX-VWYCJHECSA-N 1 1 309.370 -1.280 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578469 678533102 /nfs/dbraw/zinc/53/31/02/678533102.db2.gz CLYIISSTNONFHX-VWYCJHECSA-N 1 1 309.370 -1.280 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579967 678533161 /nfs/dbraw/zinc/53/31/61/678533161.db2.gz XEXLTJQDGHAVDK-WOPDTQHZSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579967 678533166 /nfs/dbraw/zinc/53/31/66/678533166.db2.gz XEXLTJQDGHAVDK-WOPDTQHZSA-N 1 1 323.397 -1.068 20 0 DAADMO CN(C(=O)[C@@H]1CCCCN1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047592358 678533505 /nfs/dbraw/zinc/53/35/05/678533505.db2.gz LNJTXAXGCOULFD-SRVKXCTJSA-N 1 1 314.386 -1.585 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001047588523 678533740 /nfs/dbraw/zinc/53/37/40/678533740.db2.gz NKHAHPJUBVWKAR-QWRGUYRKSA-N 1 1 312.370 -1.160 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047595416 678534266 /nfs/dbraw/zinc/53/42/66/678534266.db2.gz CNFGAMQKWIFEOY-AVGNSLFASA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn(C)c2=O)C1 ZINC001047602446 678535630 /nfs/dbraw/zinc/53/56/30/678535630.db2.gz LPYIWAQDXIFCRW-DRZSPHRISA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)c1cccn(C)c1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047602739 678535670 /nfs/dbraw/zinc/53/56/70/678535670.db2.gz WBRMQCZVVJBDLX-STQMWFEESA-N 1 1 309.366 -1.115 20 0 DAADMO CN(C(=O)[C@@H]1CCCC(=O)N1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047615312 678535915 /nfs/dbraw/zinc/53/59/15/678535915.db2.gz SJOPORASUOKGFR-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)n1C ZINC001047613819 678536509 /nfs/dbraw/zinc/53/65/09/678536509.db2.gz MIVYAGYVULHIOL-QWRGUYRKSA-N 1 1 313.358 -2.614 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001047619314 678536881 /nfs/dbraw/zinc/53/68/81/678536881.db2.gz JNSLIHUKNKLMGI-QWRGUYRKSA-N 1 1 312.370 -1.208 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047620031 678537003 /nfs/dbraw/zinc/53/70/03/678537003.db2.gz IYUCKDSTUQGHJQ-STQMWFEESA-N 1 1 319.369 -1.285 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047620031 678537007 /nfs/dbraw/zinc/53/70/07/678537007.db2.gz IYUCKDSTUQGHJQ-STQMWFEESA-N 1 1 319.369 -1.285 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047619062 678537053 /nfs/dbraw/zinc/53/70/53/678537053.db2.gz JANPQYZSBZWODL-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047618157 678537120 /nfs/dbraw/zinc/53/71/20/678537120.db2.gz RMAOWBZVWDRASC-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001047622826 678537572 /nfs/dbraw/zinc/53/75/72/678537572.db2.gz OFUDLNMFCLBIRE-DCAQKATOSA-N 1 1 313.354 -1.980 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 ZINC001047622086 678537766 /nfs/dbraw/zinc/53/77/66/678537766.db2.gz ARHNDUSITKGTGU-STQMWFEESA-N 1 1 309.366 -1.002 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001047631028 678538273 /nfs/dbraw/zinc/53/82/73/678538273.db2.gz GIDCWTSBBYWKNZ-VWYCJHECSA-N 1 1 305.400 -1.410 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 ZINC001047632034 678538575 /nfs/dbraw/zinc/53/85/75/678538575.db2.gz WNURVHRHNDCOBU-ICCXJUOJSA-N 1 1 322.365 -1.322 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cncc(C(N)=O)c2)C1 ZINC001047632035 678538612 /nfs/dbraw/zinc/53/86/12/678538612.db2.gz WNURVHRHNDCOBU-XDTLVQLUSA-N 1 1 322.365 -1.322 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047634219 678538714 /nfs/dbraw/zinc/53/87/14/678538714.db2.gz ZSBLIBOQMPESMS-MELADBBJSA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C(=O)Cc1nc(C2CC2)nn1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047634439 678538823 /nfs/dbraw/zinc/53/88/23/678538823.db2.gz FVEYHYITBKGGHJ-RYUDHWBXSA-N 1 1 323.397 -1.269 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047640641 678539227 /nfs/dbraw/zinc/53/92/27/678539227.db2.gz YTQIKBCMYGDAJI-ZZVYKPCYSA-N 1 1 313.398 -1.118 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001047639075 678539272 /nfs/dbraw/zinc/53/92/72/678539272.db2.gz LERMQJNCQZSVGO-AGIUHOORSA-N 1 1 323.397 -1.010 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047638426 678539323 /nfs/dbraw/zinc/53/93/23/678539323.db2.gz RTWBFARTVXQPHX-AVGNSLFASA-N 1 1 312.414 -1.150 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001047638932 678539347 /nfs/dbraw/zinc/53/93/47/678539347.db2.gz GQFMAERGHLBQQH-RYUDHWBXSA-N 1 1 324.385 -1.497 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047645221 678539508 /nfs/dbraw/zinc/53/95/08/678539508.db2.gz HCHYOHNOKOCNAB-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047645221 678539510 /nfs/dbraw/zinc/53/95/10/678539510.db2.gz HCHYOHNOKOCNAB-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCCC1=O ZINC001047639455 678539562 /nfs/dbraw/zinc/53/95/62/678539562.db2.gz WFUMNYHCDUQART-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047645285 678539721 /nfs/dbraw/zinc/53/97/21/678539721.db2.gz JSAVKDWHKIKWDG-DCAQKATOSA-N 1 1 300.359 -1.975 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001047648526 678539943 /nfs/dbraw/zinc/53/99/43/678539943.db2.gz QAKZQTHMOKJZMH-XDTLVQLUSA-N 1 1 322.365 -1.322 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001047649425 678539960 /nfs/dbraw/zinc/53/99/60/678539960.db2.gz AQWCRJPSPWVVPK-VWYCJHECSA-N 1 1 313.354 -1.811 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047648404 678540022 /nfs/dbraw/zinc/54/00/22/678540022.db2.gz MWPMASJULWCQPO-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047648404 678540025 /nfs/dbraw/zinc/54/00/25/678540025.db2.gz MWPMASJULWCQPO-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047650461 678540519 /nfs/dbraw/zinc/54/05/19/678540519.db2.gz WOSGRSGVKALSDN-VWYCJHECSA-N 1 1 315.345 -1.098 20 0 DAADMO CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047650129 678540889 /nfs/dbraw/zinc/54/08/89/678540889.db2.gz RTRVCVILAXPWJQ-DCAQKATOSA-N 1 1 313.354 -2.075 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047825560 678541307 /nfs/dbraw/zinc/54/13/07/678541307.db2.gz LPXAQCLHBZWEEV-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001047897622 678541713 /nfs/dbraw/zinc/54/17/13/678541713.db2.gz IRFTUPKLYHDCQG-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055921 678544980 /nfs/dbraw/zinc/54/49/80/678544980.db2.gz LOECBSQCQFQYQS-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048239272 678547747 /nfs/dbraw/zinc/54/77/47/678547747.db2.gz PKTOXNGVZRHIPX-UWVGGRQHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048249744 678547952 /nfs/dbraw/zinc/54/79/52/678547952.db2.gz SXUONMLQEMQUEB-UWVGGRQHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048300950 678548659 /nfs/dbraw/zinc/54/86/59/678548659.db2.gz KVZVVMTUYFODEW-DTWKUNHWSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048365654 678549848 /nfs/dbraw/zinc/54/98/48/678549848.db2.gz KBSAJKLODORESM-ZJUUUORDSA-N 1 1 321.385 -1.340 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048345593 678549949 /nfs/dbraw/zinc/54/99/49/678549949.db2.gz VKCOZHRUGYFOIT-BDAKNGLRSA-N 1 1 320.361 -1.769 20 0 DAADMO C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048408558 678550229 /nfs/dbraw/zinc/55/02/29/678550229.db2.gz LHSUHUBGLJKVOX-IUCAKERBSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048408556 678550420 /nfs/dbraw/zinc/55/04/20/678550420.db2.gz LHSUHUBGLJKVOX-BDAKNGLRSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048408559 678550518 /nfs/dbraw/zinc/55/05/18/678550518.db2.gz LHSUHUBGLJKVOX-RKDXNWHRSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048441172 678551656 /nfs/dbraw/zinc/55/16/56/678551656.db2.gz IDRSWHGUDDTNBY-VHSXEESVSA-N 1 1 319.373 -1.245 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C2 ZINC001048521379 678551994 /nfs/dbraw/zinc/55/19/94/678551994.db2.gz YOVBNPVINSNJSJ-VLEAKVRGSA-N 1 1 310.354 -1.061 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 ZINC001048557531 678552467 /nfs/dbraw/zinc/55/24/67/678552467.db2.gz CXYOOPOLNZGRCE-WRWGMCAJSA-N 1 1 323.397 -1.227 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001048552665 678552499 /nfs/dbraw/zinc/55/24/99/678552499.db2.gz UOFFCPIOSDQBMR-USZNOCQGSA-N 1 1 323.397 -1.146 20 0 DAADMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001048569879 678552555 /nfs/dbraw/zinc/55/25/55/678552555.db2.gz WATVIGHBLLQSNP-USZNOCQGSA-N 1 1 324.381 -1.064 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001048605500 678553872 /nfs/dbraw/zinc/55/38/72/678553872.db2.gz WCYPHKSFGOCBNM-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048669921 678555195 /nfs/dbraw/zinc/55/51/95/678555195.db2.gz ANGQQGKSLICLGE-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048669921 678555198 /nfs/dbraw/zinc/55/51/98/678555198.db2.gz ANGQQGKSLICLGE-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048634223 678555550 /nfs/dbraw/zinc/55/55/50/678555550.db2.gz QKJOYQHBDWKEKV-XQQFMLRXSA-N 1 1 309.366 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C1 ZINC001048674316 678555847 /nfs/dbraw/zinc/55/58/47/678555847.db2.gz OMIDQOMORZQGLR-TXEJJXNPSA-N 1 1 308.382 -1.255 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)cn1 ZINC001048671981 678555879 /nfs/dbraw/zinc/55/58/79/678555879.db2.gz PGXILTQEGWANHS-BETUJISGSA-N 1 1 316.369 -1.003 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)C1=O ZINC001048671561 678555898 /nfs/dbraw/zinc/55/58/98/678555898.db2.gz CGPHGQQGIOGTMZ-TUAOUCFPSA-N 1 1 319.369 -1.706 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672122 678556073 /nfs/dbraw/zinc/55/60/73/678556073.db2.gz VKLDZGWTZHFFFV-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672358 678556084 /nfs/dbraw/zinc/55/60/84/678556084.db2.gz ZJMUDSUTOLSYBF-GARJFASQSA-N 1 1 307.358 -1.802 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671345 678556152 /nfs/dbraw/zinc/55/61/52/678556152.db2.gz VMPNAUYVEFVGDN-PHIMTYICSA-N 1 1 307.358 -1.849 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)OC)C[C@H]2C1 ZINC001048713375 678556555 /nfs/dbraw/zinc/55/65/55/678556555.db2.gz UAYGZCHBXJSDJO-WHOHXGKFSA-N 1 1 309.366 -1.068 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nn1 ZINC001048721499 678556661 /nfs/dbraw/zinc/55/66/61/678556661.db2.gz GMDXBZHXLLZGEX-NTZNESFSSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)nn1 ZINC001048721499 678556665 /nfs/dbraw/zinc/55/66/65/678556665.db2.gz GMDXBZHXLLZGEX-NTZNESFSSA-N 1 1 318.381 -1.016 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048705863 678556785 /nfs/dbraw/zinc/55/67/85/678556785.db2.gz RHQYEJFNDLJMSO-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)n1 ZINC001048721578 678556948 /nfs/dbraw/zinc/55/69/48/678556948.db2.gz JDVXYFCFFLGBST-NTZNESFSSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]3C2)n1 ZINC001048721578 678556951 /nfs/dbraw/zinc/55/69/51/678556951.db2.gz JDVXYFCFFLGBST-NTZNESFSSA-N 1 1 318.381 -1.016 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048733078 678558101 /nfs/dbraw/zinc/55/81/01/678558101.db2.gz YKQGIDVPRLFUFD-GARJFASQSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1=O ZINC001048734332 678558476 /nfs/dbraw/zinc/55/84/76/678558476.db2.gz QJJLELCPDQRKRU-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739095 678559025 /nfs/dbraw/zinc/55/90/25/678559025.db2.gz GVPNOXYWSHDPPQ-RFQIPJPRSA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)n3cncn3)C[C@H]2C1 ZINC001048776089 678559656 /nfs/dbraw/zinc/55/96/56/678559656.db2.gz LLNVLTKAYUHZNX-SDDRHHMPSA-N 1 1 306.370 -1.025 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048776291 678559781 /nfs/dbraw/zinc/55/97/81/678559781.db2.gz SPRHYSPOYBVHGU-IGQOVBAYSA-N 1 1 324.425 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2C1 ZINC001048787709 678560313 /nfs/dbraw/zinc/56/03/13/678560313.db2.gz HRASLGFONABHRS-TXEJJXNPSA-N 1 1 308.382 -1.399 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C1 ZINC001048787730 678560363 /nfs/dbraw/zinc/56/03/63/678560363.db2.gz IPFUYFWDORVHAM-AOOOYVTPSA-N 1 1 308.338 -1.272 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778630 678560430 /nfs/dbraw/zinc/56/04/30/678560430.db2.gz FWQRTSUZYKGIOZ-AXFHLTTASA-N 1 1 322.369 -1.362 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C1 ZINC001048787743 678560478 /nfs/dbraw/zinc/56/04/78/678560478.db2.gz JDXDNPSQBPIEFG-SDDRHHMPSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048779174 678560582 /nfs/dbraw/zinc/56/05/82/678560582.db2.gz OYJNSPNOHIHTDE-OUAUKWLOSA-N 1 1 320.353 -1.738 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001048788035 678560612 /nfs/dbraw/zinc/56/06/12/678560612.db2.gz XRCSDQGIOIULDC-JLLWLGSASA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796604 678561102 /nfs/dbraw/zinc/56/11/02/678561102.db2.gz YAQRUAYKYWBXJV-AXFHLTTASA-N 1 1 304.354 -1.293 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048796180 678561128 /nfs/dbraw/zinc/56/11/28/678561128.db2.gz GGVSNMXFVGEZEY-LMLFDSFASA-N 1 1 308.338 -1.627 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048794035 678561345 /nfs/dbraw/zinc/56/13/45/678561345.db2.gz OZPVJZXBQOTAOD-TUAOUCFPSA-N 1 1 320.353 -1.223 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048822143 678561786 /nfs/dbraw/zinc/56/17/86/678561786.db2.gz RMUSSHGBZVLVNQ-AXFHLTTASA-N 1 1 305.342 -2.048 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821863 678561856 /nfs/dbraw/zinc/56/18/56/678561856.db2.gz GMSZNLIUAQVVAR-MXWKQRLJSA-N 1 1 307.358 -1.802 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822234 678562310 /nfs/dbraw/zinc/56/23/10/678562310.db2.gz WUJUNJWYYXXIOT-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848071 678562911 /nfs/dbraw/zinc/56/29/11/678562911.db2.gz LDVCEXNXMJAJHC-QNWHQSFQSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848072 678562922 /nfs/dbraw/zinc/56/29/22/678562922.db2.gz LDVCEXNXMJAJHC-XQHKEYJVSA-N 1 1 322.409 -1.011 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048843072 678562982 /nfs/dbraw/zinc/56/29/82/678562982.db2.gz RPVOKUXXCITUEU-GRYCIOLGSA-N 1 1 306.370 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048847463 678563269 /nfs/dbraw/zinc/56/32/69/678563269.db2.gz FNISEELJNCISBR-SDDRHHMPSA-N 1 1 308.382 -1.399 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048847464 678563334 /nfs/dbraw/zinc/56/33/34/678563334.db2.gz FNISEELJNCISBR-UTUOFQBUSA-N 1 1 308.382 -1.399 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1)NC1CC1 ZINC001048842912 678563446 /nfs/dbraw/zinc/56/34/46/678563446.db2.gz MNMQHLQNYIKQQT-TXEJJXNPSA-N 1 1 318.381 -1.053 20 0 DAADMO CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)CC1=O ZINC001048849930 678563488 /nfs/dbraw/zinc/56/34/88/678563488.db2.gz WFDTYEPKJABKEV-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842996 678563543 /nfs/dbraw/zinc/56/35/43/678563543.db2.gz OEHAQAKVKKUKPE-TXEJJXNPSA-N 1 1 306.370 -1.244 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]2C1 ZINC001048866222 678564019 /nfs/dbraw/zinc/56/40/19/678564019.db2.gz YFUFYKAUOPABGH-AOOOYVTPSA-N 1 1 315.337 -1.158 20 0 DAADMO CN1CC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1=O ZINC001048879311 678564576 /nfs/dbraw/zinc/56/45/76/678564576.db2.gz MHKFTPVTVVHJJS-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c(=O)c3)C[C@H]2C1 ZINC001048878036 678564611 /nfs/dbraw/zinc/56/46/11/678564611.db2.gz YUTIAJCAFYQFNY-PHIMTYICSA-N 1 1 305.338 -1.068 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878754 678564618 /nfs/dbraw/zinc/56/46/18/678564618.db2.gz RILTYBDLEMTMLW-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C1 ZINC001048873563 678564626 /nfs/dbraw/zinc/56/46/26/678564626.db2.gz ZYPQLZIBPQEBSJ-FMSGJZPZSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048869391 678564677 /nfs/dbraw/zinc/56/46/77/678564677.db2.gz VZJZPZZFLNIWNM-IMSYWVGJSA-N 1 1 323.353 -2.152 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878454 678564685 /nfs/dbraw/zinc/56/46/85/678564685.db2.gz LEDJTVBQLLTHGO-XQQFMLRXSA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC001048870784 678564774 /nfs/dbraw/zinc/56/47/74/678564774.db2.gz MRCMQYITTZTZJE-PHIMTYICSA-N 1 1 319.365 -1.470 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@H]2C1 ZINC001048870652 678564891 /nfs/dbraw/zinc/56/48/91/678564891.db2.gz KHXIHTWNJKSNCG-GARJFASQSA-N 1 1 319.365 -1.342 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCNC(=O)C1 ZINC001048887826 678564943 /nfs/dbraw/zinc/56/49/43/678564943.db2.gz GJIXOPHUEJZDJG-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@H]2C1 ZINC001048873391 678565025 /nfs/dbraw/zinc/56/50/25/678565025.db2.gz NWAVWNZTXDCJPX-PHIMTYICSA-N 1 1 319.365 -1.098 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC(=O)N1 ZINC001048911603 678565574 /nfs/dbraw/zinc/56/55/74/678565574.db2.gz LRJFPMHULYFVNU-KXNHARMFSA-N 1 1 308.382 -1.223 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048910818 678565609 /nfs/dbraw/zinc/56/56/09/678565609.db2.gz KCCYZQATSUDWTP-XQQFMLRXSA-N 1 1 310.398 -1.417 20 0 DAADMO O=C([C@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048898616 678565713 /nfs/dbraw/zinc/56/57/13/678565713.db2.gz FUQLPJSTPPOFQV-SDDRHHMPSA-N 1 1 321.381 -1.071 20 0 DAADMO Cn1ccc(=O)c(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)c1 ZINC001048931907 678566247 /nfs/dbraw/zinc/56/62/47/678566247.db2.gz SBXXOEDSKNJRHF-PHIMTYICSA-N 1 1 304.350 -1.126 20 0 DAADMO Cn1ccc(=O)c(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1 ZINC001048931907 678566249 /nfs/dbraw/zinc/56/62/49/678566249.db2.gz SBXXOEDSKNJRHF-PHIMTYICSA-N 1 1 304.350 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCCC(=O)N3)C[C@H]2C1 ZINC001048929463 678566256 /nfs/dbraw/zinc/56/62/56/678566256.db2.gz VPOINRYNDLCRDQ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO COc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)cc1=O ZINC001048936906 678566525 /nfs/dbraw/zinc/56/65/25/678566525.db2.gz FJLFRVMHHRQRJZ-AOOOYVTPSA-N 1 1 320.349 -1.127 20 0 DAADMO COc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cc1=O ZINC001048936906 678566528 /nfs/dbraw/zinc/56/65/28/678566528.db2.gz FJLFRVMHHRQRJZ-AOOOYVTPSA-N 1 1 320.349 -1.127 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C1 ZINC001048955024 678567077 /nfs/dbraw/zinc/56/70/77/678567077.db2.gz ODQSNQZOZMEDGK-WHRXGGIHSA-N 1 1 323.393 -1.087 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048954438 678567261 /nfs/dbraw/zinc/56/72/61/678567261.db2.gz QMGPXXJGLVKOJT-LOWVWBTDSA-N 1 1 319.365 -1.252 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]2C1 ZINC001048956947 678567329 /nfs/dbraw/zinc/56/73/29/678567329.db2.gz DJDNPDSQYGQLJN-RWMBFGLXSA-N 1 1 323.397 -1.257 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1)N1CCC1 ZINC001048977966 678568253 /nfs/dbraw/zinc/56/82/53/678568253.db2.gz SCTHNSHDPLRLTN-XQQFMLRXSA-N 1 1 320.393 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C[C@H]2C1 ZINC001048978423 678568292 /nfs/dbraw/zinc/56/82/92/678568292.db2.gz ANIJJOQWBBLBFY-WHOHXGKFSA-N 1 1 308.382 -1.366 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048981884 678568303 /nfs/dbraw/zinc/56/83/03/678568303.db2.gz ZYNLYLHVMKXZIV-WYUUTHIRSA-N 1 1 308.382 -1.353 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C[C@H]2C1 ZINC001048980113 678568339 /nfs/dbraw/zinc/56/83/39/678568339.db2.gz MQFWVMJTFKCFDX-RNJOBUHISA-N 1 1 322.409 -1.024 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978485 678568657 /nfs/dbraw/zinc/56/86/57/678568657.db2.gz FYOAQYPXFXTGDU-KXNHARMFSA-N 1 1 323.397 -1.336 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048981883 678568665 /nfs/dbraw/zinc/56/86/65/678568665.db2.gz ZYNLYLHVMKXZIV-WISYIIOYSA-N 1 1 308.382 -1.353 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978489 678568691 /nfs/dbraw/zinc/56/86/91/678568691.db2.gz FYOAQYPXFXTGDU-WRWGMCAJSA-N 1 1 323.397 -1.336 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C[C@H]2C1 ZINC001048978424 678568710 /nfs/dbraw/zinc/56/87/10/678568710.db2.gz ANIJJOQWBBLBFY-WRWGMCAJSA-N 1 1 308.382 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978982 678568719 /nfs/dbraw/zinc/56/87/19/678568719.db2.gz LRNHJDRBLDCRNS-YFKTTZPYSA-N 1 1 323.397 -1.465 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977875 678568742 /nfs/dbraw/zinc/56/87/42/678568742.db2.gz OKUVEWGSUVOHKI-RWMBFGLXSA-N 1 1 310.398 -1.811 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978270 678568762 /nfs/dbraw/zinc/56/87/62/678568762.db2.gz BAEQYLKXRILDTP-ZNSHCXBVSA-N 1 1 309.370 -1.726 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C[C@H]2C1 ZINC001048980114 678568903 /nfs/dbraw/zinc/56/89/03/678568903.db2.gz MQFWVMJTFKCFDX-XQHKEYJVSA-N 1 1 322.409 -1.024 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978954 678568924 /nfs/dbraw/zinc/56/89/24/678568924.db2.gz LEVMBJOMJRRUCX-GRYCIOLGSA-N 1 1 323.397 -1.512 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048990572 678569240 /nfs/dbraw/zinc/56/92/40/678569240.db2.gz XSAHAOUEMMKFGB-RNJOBUHISA-N 1 1 320.393 -1.114 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992711 678569256 /nfs/dbraw/zinc/56/92/56/678569256.db2.gz OCFCUPQVZYQJIJ-YFKTTZPYSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@H]3C2)nn1 ZINC001048991177 678569339 /nfs/dbraw/zinc/56/93/39/678569339.db2.gz KTZKQMHWWODKDG-AOOOYVTPSA-N 1 1 317.357 -1.457 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)c4nnn(C)n4)C[C@H]3C2)nn1 ZINC001048991177 678569341 /nfs/dbraw/zinc/56/93/41/678569341.db2.gz KTZKQMHWWODKDG-AOOOYVTPSA-N 1 1 317.357 -1.457 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992710 678569660 /nfs/dbraw/zinc/56/96/60/678569660.db2.gz OCFCUPQVZYQJIJ-WYUUTHIRSA-N 1 1 308.382 -1.271 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991320 678569682 /nfs/dbraw/zinc/56/96/82/678569682.db2.gz QGWDEORRARIWQR-BBBLOLIVSA-N 1 1 307.358 -1.652 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019688 678570388 /nfs/dbraw/zinc/57/03/88/678570388.db2.gz VEUIHJIJHVPTDW-AXFHLTTASA-N 1 1 309.370 -1.854 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001049002673 678570488 /nfs/dbraw/zinc/57/04/88/678570488.db2.gz KAGHWSJAUYYEIA-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018488 678570673 /nfs/dbraw/zinc/57/06/73/678570673.db2.gz FCULVQYCWFBZHX-GRYCIOLGSA-N 1 1 318.381 -1.008 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018488 678570678 /nfs/dbraw/zinc/57/06/78/678570678.db2.gz FCULVQYCWFBZHX-GRYCIOLGSA-N 1 1 318.381 -1.008 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019662 678570752 /nfs/dbraw/zinc/57/07/52/678570752.db2.gz UQKDDGSKLBFOCY-WYUUTHIRSA-N 1 1 323.397 -1.465 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018993 678570776 /nfs/dbraw/zinc/57/07/76/678570776.db2.gz NLOXJEAXOYQMFI-VLEAKVRGSA-N 1 1 309.370 -1.678 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020064 678571142 /nfs/dbraw/zinc/57/11/42/678571142.db2.gz XAOYJPPICQTZGR-CHWFTXMASA-N 1 1 309.370 -1.808 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049022633 678571151 /nfs/dbraw/zinc/57/11/51/678571151.db2.gz OKQOCNKNBAXWJG-GRYCIOLGSA-N 1 1 320.393 -1.079 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049023061 678571201 /nfs/dbraw/zinc/57/12/01/678571201.db2.gz LBSZLMNVTWBMNA-AOOOYVTPSA-N 1 1 323.353 -2.196 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022209 678571436 /nfs/dbraw/zinc/57/14/36/678571436.db2.gz JKEOVCQTZMSOMA-PHIMTYICSA-N 1 1 318.381 -1.029 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049022216 678571513 /nfs/dbraw/zinc/57/15/13/678571513.db2.gz JSZXEFYQLZSATM-AXFHLTTASA-N 1 1 306.366 -1.469 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001049023067 678571765 /nfs/dbraw/zinc/57/17/65/678571765.db2.gz LLHTVKQZDVVGGL-AXFHLTTASA-N 1 1 304.354 -1.359 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049023286 678571986 /nfs/dbraw/zinc/57/19/86/678571986.db2.gz SUCJDABMXATYMZ-SDDRHHMPSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049053387 678572037 /nfs/dbraw/zinc/57/20/37/678572037.db2.gz BJVSNLNMSXJVCX-NAWOPXAZSA-N 1 1 311.382 -1.210 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049024750 678572314 /nfs/dbraw/zinc/57/23/14/678572314.db2.gz ZNHPCZRPKSSTOR-TUAOUCFPSA-N 1 1 307.354 -1.881 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]3)C[C@H]2C1 ZINC001049029231 678572503 /nfs/dbraw/zinc/57/25/03/678572503.db2.gz VUKVXPPMKWCGKX-AOOOYVTPSA-N 1 1 307.354 -1.125 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C1 ZINC001049033200 678572533 /nfs/dbraw/zinc/57/25/33/678572533.db2.gz IXJKLGIOOVFXCM-RWSFTLGLSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001049023287 678572584 /nfs/dbraw/zinc/57/25/84/678572584.db2.gz SUCJDABMXATYMZ-UTUOFQBUSA-N 1 1 308.382 -1.222 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049061656 678572978 /nfs/dbraw/zinc/57/29/78/678572978.db2.gz XRPSFAHETBIHTF-LVEVGFFFSA-N 1 1 306.366 -1.614 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049056021 678573026 /nfs/dbraw/zinc/57/30/26/678573026.db2.gz KHQDDBNMYKXICB-ZVXAKGHKSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049084477 678573356 /nfs/dbraw/zinc/57/33/56/678573356.db2.gz NLTGQKCPVJDXLD-QEYWKRMJSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC001049063468 678573532 /nfs/dbraw/zinc/57/35/32/678573532.db2.gz VZTIXIGWATWKFB-LPEHRKFASA-N 1 1 319.365 -1.009 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049085208 678573546 /nfs/dbraw/zinc/57/35/46/678573546.db2.gz VXUZSJMJBFPDDK-ZNSHCXBVSA-N 1 1 310.354 -1.645 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049063454 678573588 /nfs/dbraw/zinc/57/35/88/678573588.db2.gz VIPPJXMCWSMQIZ-HGCLJGPKSA-N 1 1 308.382 -1.368 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062598 678573768 /nfs/dbraw/zinc/57/37/68/678573768.db2.gz BUXQOUKESTZECC-YYHQMBLXSA-N 1 1 322.409 -1.025 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C[C@H]2C1 ZINC001049093403 678573778 /nfs/dbraw/zinc/57/37/78/678573778.db2.gz DEGCYTNOEYMHFN-AOOOYVTPSA-N 1 1 308.338 -1.183 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049085205 678573826 /nfs/dbraw/zinc/57/38/26/678573826.db2.gz VXUZSJMJBFPDDK-MMWGEVLESA-N 1 1 310.354 -1.645 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049111953 678574096 /nfs/dbraw/zinc/57/40/96/678574096.db2.gz BITPSVZWYHONGP-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049114154 678574286 /nfs/dbraw/zinc/57/42/86/678574286.db2.gz KZPSOVQULKFJPQ-IEBDPFPHSA-N 1 1 322.365 -1.697 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049113467 678574500 /nfs/dbraw/zinc/57/45/00/678574500.db2.gz FRISTJFIDLZMJD-PHIMTYICSA-N 1 1 322.365 -1.825 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049112910 678574530 /nfs/dbraw/zinc/57/45/30/678574530.db2.gz FUFYIMFFZZWTTB-HTJOTKDVSA-N 1 1 322.365 -1.643 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049112134 678574557 /nfs/dbraw/zinc/57/45/57/678574557.db2.gz FMQNMTRHDRTYCZ-XQHKEYJVSA-N 1 1 320.393 -1.066 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154731 678574961 /nfs/dbraw/zinc/57/49/61/678574961.db2.gz NGJIYIJGIADUBL-AOOOYVTPSA-N 1 1 323.353 -2.196 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]2C1 ZINC001049154407 678575215 /nfs/dbraw/zinc/57/52/15/678575215.db2.gz AXKKVBJEAUQTDR-SDDRHHMPSA-N 1 1 324.381 -1.301 20 0 DAADMO Cn1cccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c1=O ZINC001049178583 678576465 /nfs/dbraw/zinc/57/64/65/678576465.db2.gz LVYUWXMFEQLABW-PHIMTYICSA-N 1 1 304.350 -1.126 20 0 DAADMO COc1c(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cnn1C ZINC001049191704 678576585 /nfs/dbraw/zinc/57/65/85/678576585.db2.gz FVIDIVCFNKRTAH-AOOOYVTPSA-N 1 1 307.354 -1.082 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049194774 678576681 /nfs/dbraw/zinc/57/66/81/678576681.db2.gz JLPNPQKZTCCLRV-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1=O ZINC001049169870 678576691 /nfs/dbraw/zinc/57/66/91/678576691.db2.gz XNLCUJUDRDVNDP-PHIMTYICSA-N 1 1 310.354 -1.737 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049178726 678576703 /nfs/dbraw/zinc/57/67/03/678576703.db2.gz KSCUNUZBDNACLN-QNWHQSFQSA-N 1 1 320.393 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC001049202751 678577170 /nfs/dbraw/zinc/57/71/70/678577170.db2.gz AUSXFAVHNXKIBA-MXWKQRLJSA-N 1 1 319.365 -1.342 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1)N1CCC1 ZINC001049202293 678577188 /nfs/dbraw/zinc/57/71/88/678577188.db2.gz HNJVFZSXRHUWRP-BETUJISGSA-N 1 1 318.381 -1.099 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049197988 678577263 /nfs/dbraw/zinc/57/72/63/678577263.db2.gz YEHCFLGVCNGIQF-FRRDWIJNSA-N 1 1 324.381 -1.891 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049203468 678577277 /nfs/dbraw/zinc/57/72/77/678577277.db2.gz BJDHAVHTYFJQDK-TUAOUCFPSA-N 1 1 304.354 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@H]2C1 ZINC001049202089 678577492 /nfs/dbraw/zinc/57/74/92/678577492.db2.gz BHKWTADKTFRZCX-PHIMTYICSA-N 1 1 319.365 -1.470 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206805 678577710 /nfs/dbraw/zinc/57/77/10/678577710.db2.gz HZQSYZNFIZBLTH-NNYUYHANSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c(=O)[nH]c1=O ZINC001049211791 678577819 /nfs/dbraw/zinc/57/78/19/678577819.db2.gz GNRFSLWLRYOCRV-AOOOYVTPSA-N 1 1 308.338 -1.518 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049204495 678578068 /nfs/dbraw/zinc/57/80/68/678578068.db2.gz OVGFPYRQWTYXMO-SDDRHHMPSA-N 1 1 306.370 -1.197 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c(=O)[nH]c1=O ZINC001049212591 678578183 /nfs/dbraw/zinc/57/81/83/678578183.db2.gz WWVRSLLKFAYVPP-DTORHVGOSA-N 1 1 321.337 -2.025 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1 ZINC001049205207 678578208 /nfs/dbraw/zinc/57/82/08/678578208.db2.gz YLHMVJCEKFVWJB-GRYCIOLGSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049207198 678578317 /nfs/dbraw/zinc/57/83/17/678578317.db2.gz XMAURXOWIBPGBO-GRYCIOLGSA-N 1 1 324.381 -1.253 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)C[C@H]2C1 ZINC001049232549 678578450 /nfs/dbraw/zinc/57/84/50/678578450.db2.gz WBZBDCYLOBFOJV-UTUOFQBUSA-N 1 1 318.381 -1.284 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049218879 678578653 /nfs/dbraw/zinc/57/86/53/678578653.db2.gz AAAGFLXWACANQU-WISYIIOYSA-N 1 1 317.411 -1.551 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3C(N)=O)C[C@H]2C1 ZINC001049227921 678578946 /nfs/dbraw/zinc/57/89/46/678578946.db2.gz RCDZHYICHWCCLU-AOOOYVTPSA-N 1 1 317.349 -1.330 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049221363 678579019 /nfs/dbraw/zinc/57/90/19/678579019.db2.gz XLQIKBIXNFFQES-AEJSXWLSSA-N 1 1 316.383 -2.446 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC1=O ZINC001049236342 678579067 /nfs/dbraw/zinc/57/90/67/678579067.db2.gz HGLUWUNMUPWDAJ-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314544 678579371 /nfs/dbraw/zinc/57/93/71/678579371.db2.gz MNYXRLQNQNRLHO-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314544 678579373 /nfs/dbraw/zinc/57/93/73/678579373.db2.gz MNYXRLQNQNRLHO-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1)N1CCOCC1 ZINC001049252393 678579457 /nfs/dbraw/zinc/57/94/57/678579457.db2.gz AYZNMQXNGFYSLW-XDQVBPFNSA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049251776 678579527 /nfs/dbraw/zinc/57/95/27/678579527.db2.gz MEGCKKMMQSXYTB-MXWKQRLJSA-N 1 1 322.365 -1.825 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049312490 678579702 /nfs/dbraw/zinc/57/97/02/678579702.db2.gz DZOAALZZTQFOPG-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC001049243140 678579773 /nfs/dbraw/zinc/57/97/73/678579773.db2.gz WKEXGGCYFCWQJR-PHIMTYICSA-N 1 1 321.381 -1.526 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049253832 678579782 /nfs/dbraw/zinc/57/97/82/678579782.db2.gz BOHDKYZYCIVNAH-KKOKHZNYSA-N 1 1 309.366 -1.190 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049391037 678581622 /nfs/dbraw/zinc/58/16/22/678581622.db2.gz GASBVZGYSZDRQR-AVGNSLFASA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049391037 678581626 /nfs/dbraw/zinc/58/16/26/678581626.db2.gz GASBVZGYSZDRQR-AVGNSLFASA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420677 678582208 /nfs/dbraw/zinc/58/22/08/678582208.db2.gz WKROJZLEBTXORV-STQMWFEESA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1 ZINC001049420677 678582211 /nfs/dbraw/zinc/58/22/11/678582211.db2.gz WKROJZLEBTXORV-STQMWFEESA-N 1 1 310.398 -1.131 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049468805 678582224 /nfs/dbraw/zinc/58/22/24/678582224.db2.gz JBFYSJSOUDGMSU-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429703 678582440 /nfs/dbraw/zinc/58/24/40/678582440.db2.gz WHOSHQFJMLPSIN-UWVGGRQHSA-N 1 1 308.342 -1.466 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049429703 678582445 /nfs/dbraw/zinc/58/24/45/678582445.db2.gz WHOSHQFJMLPSIN-UWVGGRQHSA-N 1 1 308.342 -1.466 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049427499 678582525 /nfs/dbraw/zinc/58/25/25/678582525.db2.gz GWNOIYLSGUMMQO-YNEHKIRRSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049427499 678582530 /nfs/dbraw/zinc/58/25/30/678582530.db2.gz GWNOIYLSGUMMQO-YNEHKIRRSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)n1 ZINC001049482273 678582896 /nfs/dbraw/zinc/58/28/96/678582896.db2.gz LUWMLJXLTGTZAY-GHMZBOCLSA-N 1 1 322.369 -1.565 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049527016 678582989 /nfs/dbraw/zinc/58/29/89/678582989.db2.gz KQKCUFTWVHLEHL-GARJFASQSA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049519891 678583006 /nfs/dbraw/zinc/58/30/06/678583006.db2.gz ANVMURNIQCVDCD-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527883 678583083 /nfs/dbraw/zinc/58/30/83/678583083.db2.gz WGTQUZLMYFRPKZ-LPEHRKFASA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527883 678583086 /nfs/dbraw/zinc/58/30/86/678583086.db2.gz WGTQUZLMYFRPKZ-LPEHRKFASA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527881 678583171 /nfs/dbraw/zinc/58/31/71/678583171.db2.gz WGTQUZLMYFRPKZ-IVZWLZJFSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527881 678583174 /nfs/dbraw/zinc/58/31/74/678583174.db2.gz WGTQUZLMYFRPKZ-IVZWLZJFSA-N 1 1 323.353 -1.865 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049527017 678583240 /nfs/dbraw/zinc/58/32/40/678583240.db2.gz KQKCUFTWVHLEHL-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)ncc1=O ZINC001049604747 678583486 /nfs/dbraw/zinc/58/34/86/678583486.db2.gz HYHPATVMQGXKDV-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)ncc1=O ZINC001049604747 678583490 /nfs/dbraw/zinc/58/34/90/678583490.db2.gz HYHPATVMQGXKDV-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568345 678583709 /nfs/dbraw/zinc/58/37/09/678583709.db2.gz SZFYOJCYPBUSOO-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568345 678583710 /nfs/dbraw/zinc/58/37/10/678583710.db2.gz SZFYOJCYPBUSOO-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568347 678583731 /nfs/dbraw/zinc/58/37/31/678583731.db2.gz SZFYOJCYPBUSOO-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568347 678583733 /nfs/dbraw/zinc/58/37/33/678583733.db2.gz SZFYOJCYPBUSOO-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)ncc1=O ZINC001049604746 678583899 /nfs/dbraw/zinc/58/38/99/678583899.db2.gz HYHPATVMQGXKDV-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)ncc1=O ZINC001049604746 678583901 /nfs/dbraw/zinc/58/39/01/678583901.db2.gz HYHPATVMQGXKDV-NEPJUHHUSA-N 1 1 319.365 -1.056 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640417 678584368 /nfs/dbraw/zinc/58/43/68/678584368.db2.gz VKDBTJZWEQCFQK-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640417 678584372 /nfs/dbraw/zinc/58/43/72/678584372.db2.gz VKDBTJZWEQCFQK-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651865 678584434 /nfs/dbraw/zinc/58/44/34/678584434.db2.gz NLJRTOWNBKYWNN-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651865 678584436 /nfs/dbraw/zinc/58/44/36/678584436.db2.gz NLJRTOWNBKYWNN-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCNC1=O ZINC001049636737 678584497 /nfs/dbraw/zinc/58/44/97/678584497.db2.gz UVDLENYYYWGBAU-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCNC1=O ZINC001049636737 678584500 /nfs/dbraw/zinc/58/45/00/678584500.db2.gz UVDLENYYYWGBAU-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651864 678584577 /nfs/dbraw/zinc/58/45/77/678584577.db2.gz NLJRTOWNBKYWNN-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049651864 678584580 /nfs/dbraw/zinc/58/45/80/678584580.db2.gz NLJRTOWNBKYWNN-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049639982 678584635 /nfs/dbraw/zinc/58/46/35/678584635.db2.gz SPLFMNUDQLCQET-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049681418 678584991 /nfs/dbraw/zinc/58/49/91/678584991.db2.gz OELKODSJTBEUDN-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049681419 678585130 /nfs/dbraw/zinc/58/51/30/678585130.db2.gz OELKODSJTBEUDN-QJPTWQEYSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756201 678585228 /nfs/dbraw/zinc/58/52/28/678585228.db2.gz UMHSACFTWKNCHY-AEJSXWLSSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756201 678585229 /nfs/dbraw/zinc/58/52/29/678585229.db2.gz UMHSACFTWKNCHY-AEJSXWLSSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674456 678585348 /nfs/dbraw/zinc/58/53/48/678585348.db2.gz DCNYEDUEAHCGBQ-WDEREUQCSA-N 1 1 305.338 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(=O)cn1 ZINC001049674456 678585349 /nfs/dbraw/zinc/58/53/49/678585349.db2.gz DCNYEDUEAHCGBQ-WDEREUQCSA-N 1 1 305.338 -1.066 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049681417 678585393 /nfs/dbraw/zinc/58/53/93/678585393.db2.gz OELKODSJTBEUDN-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049683649 678585414 /nfs/dbraw/zinc/58/54/14/678585414.db2.gz PRENYMWXLPBREH-WDEREUQCSA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721845 678585431 /nfs/dbraw/zinc/58/54/31/678585431.db2.gz GGOUQIFACUVCFU-NOOOWODRSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721845 678585434 /nfs/dbraw/zinc/58/54/34/678585434.db2.gz GGOUQIFACUVCFU-NOOOWODRSA-N 1 1 324.381 -1.430 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790341 678585821 /nfs/dbraw/zinc/58/58/21/678585821.db2.gz KXPQDAHUAGKCEQ-TUAOUCFPSA-N 1 1 324.381 -1.016 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790339 678585845 /nfs/dbraw/zinc/58/58/45/678585845.db2.gz KXPQDAHUAGKCEQ-SDDRHHMPSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049836299 678586010 /nfs/dbraw/zinc/58/60/10/678586010.db2.gz VTGSIGPNNFXOIA-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049880693 678586290 /nfs/dbraw/zinc/58/62/90/678586290.db2.gz DMXUCMFYDUHIEK-NWDGAFQWSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890622 678586427 /nfs/dbraw/zinc/58/64/27/678586427.db2.gz XENWDPGDTCMTJN-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890622 678586431 /nfs/dbraw/zinc/58/64/31/678586431.db2.gz XENWDPGDTCMTJN-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049901266 678586728 /nfs/dbraw/zinc/58/67/28/678586728.db2.gz YCLQNEZFKRULCP-QJPTWQEYSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049880621 678586739 /nfs/dbraw/zinc/58/67/39/678586739.db2.gz BVKZVMNNXWWUET-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)ccc1=O ZINC001049875702 678586782 /nfs/dbraw/zinc/58/67/82/678586782.db2.gz GESHBJKVDUDYOE-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)ccc1=O ZINC001049875702 678586785 /nfs/dbraw/zinc/58/67/85/678586785.db2.gz GESHBJKVDUDYOE-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671615 678588377 /nfs/dbraw/zinc/58/83/77/678588377.db2.gz OVPRGLOEYTWHFN-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001052670822 678588644 /nfs/dbraw/zinc/58/86/44/678588644.db2.gz IFGDVEUSLNSNCK-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2)nn1 ZINC001052670822 678588647 /nfs/dbraw/zinc/58/86/47/678588647.db2.gz IFGDVEUSLNSNCK-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001052679404 678589230 /nfs/dbraw/zinc/58/92/30/678589230.db2.gz OHVPTNHWHKZUHX-NWDGAFQWSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052790976 678589738 /nfs/dbraw/zinc/58/97/38/678589738.db2.gz RVULSVZECGTRLM-MWLCHTKSSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798723 678589778 /nfs/dbraw/zinc/58/97/78/678589778.db2.gz WDOAUUJTSRMCNJ-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052790975 678590017 /nfs/dbraw/zinc/59/00/17/678590017.db2.gz RVULSVZECGTRLM-KOLCDFICSA-N 1 1 324.381 -1.116 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC001052785009 678590068 /nfs/dbraw/zinc/59/00/68/678590068.db2.gz BALSXSTUISJNKD-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)CC1)c1cc(=O)n2[nH]cnc2n1 ZINC001052864250 678590395 /nfs/dbraw/zinc/59/03/95/678590395.db2.gz DKKGOSLKJFMUJI-JTQLQIEISA-N 1 1 320.353 -1.006 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)C1=O ZINC001052862904 678590444 /nfs/dbraw/zinc/59/04/44/678590444.db2.gz BVZGVQPZOKVBRH-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052919010 678591090 /nfs/dbraw/zinc/59/10/90/678591090.db2.gz HYLLDGCQSSIRSX-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919613 678591244 /nfs/dbraw/zinc/59/12/44/678591244.db2.gz NAURWPZDJHJQLV-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919614 678591308 /nfs/dbraw/zinc/59/13/08/678591308.db2.gz NAURWPZDJHJQLV-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052945201 678591694 /nfs/dbraw/zinc/59/16/94/678591694.db2.gz FMHMMYRHVNEXPS-VHSXEESVSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)nn1 ZINC001052959891 678591811 /nfs/dbraw/zinc/59/18/11/678591811.db2.gz ZOXXOXWIEKPSRI-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001052946523 678591999 /nfs/dbraw/zinc/59/19/99/678591999.db2.gz VCTYTURGSIXHSP-WDEREUQCSA-N 1 1 305.400 -1.359 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)n(C)c1=O ZINC001052961197 678592015 /nfs/dbraw/zinc/59/20/15/678592015.db2.gz JXIZPDMAPOZZOW-JTQLQIEISA-N 1 1 309.370 -1.207 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052977787 678592413 /nfs/dbraw/zinc/59/24/13/678592413.db2.gz MZNQWMQWIMCAHD-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCCO)CC1 ZINC001052990652 678592630 /nfs/dbraw/zinc/59/26/30/678592630.db2.gz JPERWVGFZMQYAY-OKILXGFUSA-N 1 1 324.425 -1.006 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCO)CC1 ZINC001052990652 678592632 /nfs/dbraw/zinc/59/26/32/678592632.db2.gz JPERWVGFZMQYAY-OKILXGFUSA-N 1 1 324.425 -1.006 20 0 DAADMO O=C(Cn1cnnn1)N1CCOC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053150185 678593635 /nfs/dbraw/zinc/59/36/35/678593635.db2.gz SQPKDYOMGJWDBD-GFCCVEGCSA-N 1 1 322.369 -1.377 20 0 DAADMO C[C@@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053189959 678594592 /nfs/dbraw/zinc/59/45/92/678594592.db2.gz HHSBTJKPURXSIW-NWDGAFQWSA-N 1 1 310.398 -1.132 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN([C@@H]3CCNC3=O)C2)C1 ZINC001053190395 678595116 /nfs/dbraw/zinc/59/51/16/678595116.db2.gz SYGMKWIMGBOZON-OLZOCXBDSA-N 1 1 322.409 -1.118 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429553 678604431 /nfs/dbraw/zinc/60/44/31/678604431.db2.gz SJSYIEFPSKOEBJ-OLZOCXBDSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053429822 678604605 /nfs/dbraw/zinc/60/46/05/678604605.db2.gz YRYDYZGDMJMIRF-VXGBXAGGSA-N 1 1 310.398 -1.417 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053506762 678606689 /nfs/dbraw/zinc/60/66/89/678606689.db2.gz PDLCDPXQENZKFZ-LBPRGKRZSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053506761 678606808 /nfs/dbraw/zinc/60/68/08/678606808.db2.gz PDLCDPXQENZKFZ-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN([C@H]4CCNC4=O)C3)C2)C1 ZINC001053531321 678607785 /nfs/dbraw/zinc/60/77/85/678607785.db2.gz OJKFCMWBENIXHT-STQMWFEESA-N 1 1 322.409 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CCO)C3)C2)C1 ZINC001053538325 678608487 /nfs/dbraw/zinc/60/84/87/678608487.db2.gz YOGQIHZIWNLBDU-ZDUSSCGKSA-N 1 1 313.398 -1.387 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CCO)C3)C2)C1 ZINC001053538325 678608488 /nfs/dbraw/zinc/60/84/88/678608488.db2.gz YOGQIHZIWNLBDU-ZDUSSCGKSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1COC(=O)N1 ZINC001053595642 678609240 /nfs/dbraw/zinc/60/92/40/678609240.db2.gz BJHPSUZMCOIVDY-WDEREUQCSA-N 1 1 313.354 -1.173 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)O2 ZINC001053671009 678610845 /nfs/dbraw/zinc/61/08/45/678610845.db2.gz ZMXQYNCTONQDMJ-ZJUUUORDSA-N 1 1 310.354 -1.046 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)O2 ZINC001053701570 678611225 /nfs/dbraw/zinc/61/12/25/678611225.db2.gz YCOZOQUKNOQJNR-JTQLQIEISA-N 1 1 322.369 -1.254 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053757977 678612878 /nfs/dbraw/zinc/61/28/78/678612878.db2.gz IOARIMSFEFGJOX-RYUDHWBXSA-N 1 1 310.398 -1.214 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053757978 678613243 /nfs/dbraw/zinc/61/32/43/678613243.db2.gz IOARIMSFEFGJOX-VXGBXAGGSA-N 1 1 310.398 -1.214 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)CO2 ZINC001053805247 678615657 /nfs/dbraw/zinc/61/56/57/678615657.db2.gz NCSAZNRYFKFOEL-SNVBAGLBSA-N 1 1 322.369 -1.254 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)CC[N@H+]1C ZINC001053806199 678615683 /nfs/dbraw/zinc/61/56/83/678615683.db2.gz ASKQZCCOJASEMT-IJLUTSLNSA-N 1 1 310.398 -1.229 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)CC[N@H+]1C ZINC001053806198 678615867 /nfs/dbraw/zinc/61/58/67/678615867.db2.gz ASKQZCCOJASEMT-GRYCIOLGSA-N 1 1 310.398 -1.229 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053833117 678616925 /nfs/dbraw/zinc/61/69/25/678616925.db2.gz TVTVUEUZDODJBH-UWVGGRQHSA-N 1 1 310.354 -1.046 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053851851 678618105 /nfs/dbraw/zinc/61/81/05/678618105.db2.gz CYYSLTPRLYTXTM-NSHDSACASA-N 1 1 309.370 -1.050 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053889764 678619921 /nfs/dbraw/zinc/61/99/21/678619921.db2.gz QWQHMIDOGRTQPH-ZDUSSCGKSA-N 1 1 322.409 -1.212 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053889763 678619947 /nfs/dbraw/zinc/61/99/47/678619947.db2.gz QWQHMIDOGRTQPH-CYBMUJFWSA-N 1 1 322.409 -1.212 20 0 DAADMO NC(=O)C(=O)N[C@H]1COC2(C[NH+](C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001053911950 678622117 /nfs/dbraw/zinc/62/21/17/678622117.db2.gz QLLJTTZDFIFCJT-WDEREUQCSA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053925184 678623249 /nfs/dbraw/zinc/62/32/49/678623249.db2.gz BGARJGVCNOTBRN-RYUDHWBXSA-N 1 1 310.398 -1.085 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940570 678624071 /nfs/dbraw/zinc/62/40/71/678624071.db2.gz HEQLEPYNFFGDFJ-ZJUUUORDSA-N 1 1 310.354 -1.048 20 0 DAADMO O=C(N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001053940451 678624126 /nfs/dbraw/zinc/62/41/26/678624126.db2.gz DPFPGAKMGDVUJA-QWRGUYRKSA-N 1 1 322.365 -1.046 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053959130 678624573 /nfs/dbraw/zinc/62/45/73/678624573.db2.gz SCPHXWJNLWVPFQ-JTQLQIEISA-N 1 1 310.354 -1.094 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)CO2 ZINC001054016706 678628182 /nfs/dbraw/zinc/62/81/82/678628182.db2.gz IQMAWPYLEBPLIP-SNVBAGLBSA-N 1 1 322.369 -1.255 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014362 678628235 /nfs/dbraw/zinc/62/82/35/678628235.db2.gz MYKDRJCLYIUKIK-QWHCGFSZSA-N 1 1 313.398 -1.341 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014362 678628237 /nfs/dbraw/zinc/62/82/37/678628237.db2.gz MYKDRJCLYIUKIK-QWHCGFSZSA-N 1 1 313.398 -1.341 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054133238 678629111 /nfs/dbraw/zinc/62/91/11/678629111.db2.gz ZBGVJISAIAPRNO-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054132544 678629131 /nfs/dbraw/zinc/62/91/31/678629131.db2.gz KCZACSKDSQVEDM-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1COC(=O)N1)C2 ZINC001054123553 678629252 /nfs/dbraw/zinc/62/92/52/678629252.db2.gz XWPFPLIYWAWNJK-QMTHXVAHSA-N 1 1 310.354 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ncnn1)C2 ZINC001054133078 678629264 /nfs/dbraw/zinc/62/92/64/678629264.db2.gz UNQCUARWBKITSX-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082260 678629306 /nfs/dbraw/zinc/62/93/06/678629306.db2.gz HMBQMJHSPWHDOS-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186775 678629333 /nfs/dbraw/zinc/62/93/33/678629333.db2.gz DPZPLGWDESMXLO-YGRLFVJLSA-N 1 1 309.370 -1.532 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186868 678629416 /nfs/dbraw/zinc/62/94/16/678629416.db2.gz GUOVSCGETOOTSM-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001054176034 678629511 /nfs/dbraw/zinc/62/95/11/678629511.db2.gz ALZAVUUDUODUSB-ABAIWWIYSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001054188094 678629604 /nfs/dbraw/zinc/62/96/04/678629604.db2.gz GSQGGRLHNKRHBS-ZUZCIYMTSA-N 1 1 322.365 -1.409 20 0 DAADMO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054358476 678630051 /nfs/dbraw/zinc/63/00/51/678630051.db2.gz FMGDMDHHYKYWCY-WCBMZHEXSA-N 1 1 318.341 -1.044 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054206280 678630268 /nfs/dbraw/zinc/63/02/68/678630268.db2.gz GXWIPBYFJKLIHR-XHDPSFHLSA-N 1 1 324.381 -1.109 20 0 DAADMO CCn1cc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)nn1 ZINC001054374854 678630743 /nfs/dbraw/zinc/63/07/43/678630743.db2.gz SYEJOCJTKRPYHY-JQWIXIFHSA-N 1 1 319.373 -1.079 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)n1 ZINC001054366686 678630774 /nfs/dbraw/zinc/63/07/74/678630774.db2.gz MJKGDLCWYDUXEZ-PWSUYJOCSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054366976 678630832 /nfs/dbraw/zinc/63/08/32/678630832.db2.gz NKRLPHSIPJPVLP-ZJUUUORDSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)nn1 ZINC001054374856 678631000 /nfs/dbraw/zinc/63/10/00/678631000.db2.gz SYEJOCJTKRPYHY-ZYHUDNBSSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054463135 678631319 /nfs/dbraw/zinc/63/13/19/678631319.db2.gz XNBLUEOZYZIVEP-UWVGGRQHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054500887 678631343 /nfs/dbraw/zinc/63/13/43/678631343.db2.gz SOIFWNPHJLGXTO-ZJUUUORDSA-N 1 1 322.369 -1.380 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001054461183 678631419 /nfs/dbraw/zinc/63/14/19/678631419.db2.gz NQHQLIHSLIIHJO-VHSXEESVSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054460299 678631427 /nfs/dbraw/zinc/63/14/27/678631427.db2.gz LGKDNEWAOQCHID-IUCAKERBSA-N 1 1 316.387 -1.809 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054500862 678631431 /nfs/dbraw/zinc/63/14/31/678631431.db2.gz SOIFWNPHJLGXTO-NXEZZACHSA-N 1 1 322.369 -1.380 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054461912 678631572 /nfs/dbraw/zinc/63/15/72/678631572.db2.gz RKSHJZSTNWWAPN-KOLCDFICSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054461182 678631650 /nfs/dbraw/zinc/63/16/50/678631650.db2.gz NQHQLIHSLIIHJO-UWVGGRQHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054583049 678632078 /nfs/dbraw/zinc/63/20/78/678632078.db2.gz USITWAVTRRLPRH-DTWKUNHWSA-N 1 1 321.345 -1.856 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054584167 678632109 /nfs/dbraw/zinc/63/21/09/678632109.db2.gz XKHWHJZLLBNDKN-NXEZZACHSA-N 1 1 320.357 -1.251 20 0 DAADMO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001054524203 678632309 /nfs/dbraw/zinc/63/23/09/678632309.db2.gz LLNQZPKUKKEFPG-WCBMZHEXSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054595661 678632521 /nfs/dbraw/zinc/63/25/21/678632521.db2.gz DCQSRSZVAZGGJU-MWLCHTKSSA-N 1 1 320.357 -1.251 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)n1 ZINC001054646451 678633283 /nfs/dbraw/zinc/63/32/83/678633283.db2.gz BOGOHZNWHQHQSK-PWSUYJOCSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054638833 678633304 /nfs/dbraw/zinc/63/33/04/678633304.db2.gz XQZJJBJBXCBROG-DTWKUNHWSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054646514 678633481 /nfs/dbraw/zinc/63/34/81/678633481.db2.gz CCYSYNFSTOKOHM-DTWKUNHWSA-N 1 1 306.334 -2.167 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054650838 678633921 /nfs/dbraw/zinc/63/39/21/678633921.db2.gz SXLVRYXLZKBBSQ-ZJUUUORDSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054767898 678634907 /nfs/dbraw/zinc/63/49/07/678634907.db2.gz RZIZLGYXVLHSLV-SCZZXKLOSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001054823304 678635618 /nfs/dbraw/zinc/63/56/18/678635618.db2.gz KLYKWWMDJGMQPG-MWLCHTKSSA-N 1 1 321.341 -1.399 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1[NH2+]Cc1cnon1 ZINC001054969438 678636245 /nfs/dbraw/zinc/63/62/45/678636245.db2.gz QWZMDOQEMLESRT-ZYHUDNBSSA-N 1 1 322.369 -1.562 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001054962885 678636257 /nfs/dbraw/zinc/63/62/57/678636257.db2.gz UTVAWYNIJVLCGX-VXNVDRBHSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054980395 678636660 /nfs/dbraw/zinc/63/66/60/678636660.db2.gz CXESQOGJWTYIAV-PSASIEDQSA-N 1 1 305.346 -1.411 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C)[nH]1 ZINC001054982625 678637050 /nfs/dbraw/zinc/63/70/50/678637050.db2.gz ZSBMNJVLNPXYHF-VXNVDRBHSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054974419 678637137 /nfs/dbraw/zinc/63/71/37/678637137.db2.gz SOKMOHATACJVEA-RKDXNWHRSA-N 1 1 320.357 -1.101 20 0 DAADMO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001055018576 678637687 /nfs/dbraw/zinc/63/76/87/678637687.db2.gz UQAQRCXHTLJSLW-WCBMZHEXSA-N 1 1 318.341 -1.456 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001055134781 678638581 /nfs/dbraw/zinc/63/85/81/678638581.db2.gz WLKJHYRCZOOSOT-MCIONIFRSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@@H]3C2)C1 ZINC001055159147 678639276 /nfs/dbraw/zinc/63/92/76/678639276.db2.gz ZYCALDYSDXWIKT-UTUOFQBUSA-N 1 1 323.397 -1.477 20 0 DAADMO NC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478985 678640639 /nfs/dbraw/zinc/64/06/39/678640639.db2.gz FTQSLNLFTLPNQC-UHFFFAOYSA-N 1 1 321.328 -1.383 20 0 DAADMO CC(F)(F)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055493653 678640880 /nfs/dbraw/zinc/64/08/80/678640880.db2.gz USKIZINOPBHIRO-UHFFFAOYSA-N 1 1 306.313 -1.176 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2cnccn2)CC1 ZINC001055502673 678641547 /nfs/dbraw/zinc/64/15/47/678641547.db2.gz KZJUTGYYNHCZCN-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO Cc1ncc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)[nH]1 ZINC001055626744 678642694 /nfs/dbraw/zinc/64/26/94/678642694.db2.gz FDWFZQDVPSZABW-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO CCOCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627567 678642769 /nfs/dbraw/zinc/64/27/69/678642769.db2.gz RMCJXIWZOSDFNI-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC001055627890 678642875 /nfs/dbraw/zinc/64/28/75/678642875.db2.gz XPNHIMYGSVJPCE-UHFFFAOYSA-N 1 1 322.369 -1.935 20 0 DAADMO CSCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627102 678642897 /nfs/dbraw/zinc/64/28/97/678642897.db2.gz LVPMYTXAPYBTHX-UHFFFAOYSA-N 1 1 316.427 -1.078 20 0 DAADMO CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626705 678642917 /nfs/dbraw/zinc/64/29/17/678642917.db2.gz CTLDVIIQSOPOOE-VIFPVBQESA-N 1 1 300.359 -1.797 20 0 DAADMO COC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626964 678642978 /nfs/dbraw/zinc/64/29/78/678642978.db2.gz JABOFXPAOMRWCP-SNVBAGLBSA-N 1 1 314.386 -1.549 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001055627116 678643068 /nfs/dbraw/zinc/64/30/68/678643068.db2.gz MBIBOWDSKOPEBR-UHFFFAOYSA-N 1 1 308.342 -1.795 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)C2(CF)CC2)CC1 ZINC001055628687 678643488 /nfs/dbraw/zinc/64/34/88/678643488.db2.gz GZQKRHZOJDBIEQ-UHFFFAOYSA-N 1 1 314.361 -1.082 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cn2ccnc2)CC1 ZINC001055629602 678643513 /nfs/dbraw/zinc/64/35/13/678643513.db2.gz FINQUDACQXWGHS-UHFFFAOYSA-N 1 1 322.369 -1.935 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC001055629179 678643676 /nfs/dbraw/zinc/64/36/76/678643676.db2.gz PRYUIEVICQJKNR-SECBINFHSA-N 1 1 318.324 -1.176 20 0 DAADMO Cn1cncc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628645 678643690 /nfs/dbraw/zinc/64/36/90/678643690.db2.gz FXHLURYVDBJARJ-UHFFFAOYSA-N 1 1 322.369 -1.784 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC001055629778 678643702 /nfs/dbraw/zinc/64/37/02/678643702.db2.gz KBEULYDZNALJGS-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001055629955 678643725 /nfs/dbraw/zinc/64/37/25/678643725.db2.gz PEQWRCKTLCFFTG-BONVTDFDSA-N 1 1 324.381 -1.795 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001055628845 678643742 /nfs/dbraw/zinc/64/37/42/678643742.db2.gz IRDSHHBFBIZSDI-UHFFFAOYSA-N 1 1 323.357 -2.471 20 0 DAADMO Cc1c[nH]c(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001055628441 678643824 /nfs/dbraw/zinc/64/38/24/678643824.db2.gz DZJCXRMLVGBKIW-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO Cn1nncc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628875 678643861 /nfs/dbraw/zinc/64/38/61/678643861.db2.gz JVKLXPUCCQNKST-UHFFFAOYSA-N 1 1 323.357 -2.389 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC001055629059 678643870 /nfs/dbraw/zinc/64/38/70/678643870.db2.gz NGRPTOQLBNPYMY-NSHDSACASA-N 1 1 308.382 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055952752 678652421 /nfs/dbraw/zinc/65/24/21/678652421.db2.gz KRTDLDDZMKOMLC-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001056005363 678654562 /nfs/dbraw/zinc/65/45/62/678654562.db2.gz IVXREHZIVCNOTN-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056014620 678654584 /nfs/dbraw/zinc/65/45/84/678654584.db2.gz UXPKSQXJLDIQDR-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056032858 678655094 /nfs/dbraw/zinc/65/50/94/678655094.db2.gz SZYNLWCLUUEMJU-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)C1 ZINC001056089729 678658099 /nfs/dbraw/zinc/65/80/99/678658099.db2.gz SATWJSKEPDRCAP-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056091801 678660113 /nfs/dbraw/zinc/66/01/13/678660113.db2.gz YWNHWDZXZZOHPF-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001056738330 678665205 /nfs/dbraw/zinc/66/52/05/678665205.db2.gz XGOJJYIISFHVMD-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CC(=O)N(CCO)CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001056740387 678665698 /nfs/dbraw/zinc/66/56/98/678665698.db2.gz LKOMHXQZKDGYLF-CYBMUJFWSA-N 1 1 311.386 -1.230 20 0 DAADMO CC(=O)N(CCO)CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001056740388 678665918 /nfs/dbraw/zinc/66/59/18/678665918.db2.gz LKOMHXQZKDGYLF-ZDUSSCGKSA-N 1 1 311.386 -1.230 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056744957 678666210 /nfs/dbraw/zinc/66/62/10/678666210.db2.gz BJOYKPIEXFBRMO-SECBINFHSA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056744957 678666214 /nfs/dbraw/zinc/66/62/14/678666214.db2.gz BJOYKPIEXFBRMO-SECBINFHSA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056744958 678666271 /nfs/dbraw/zinc/66/62/71/678666271.db2.gz BJOYKPIEXFBRMO-VIFPVBQESA-N 1 1 309.313 -1.481 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056744958 678666273 /nfs/dbraw/zinc/66/62/73/678666273.db2.gz BJOYKPIEXFBRMO-VIFPVBQESA-N 1 1 309.313 -1.481 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056784237 678667662 /nfs/dbraw/zinc/66/76/62/678667662.db2.gz FQQQEPBAFSNZSL-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056784237 678667665 /nfs/dbraw/zinc/66/76/65/678667665.db2.gz FQQQEPBAFSNZSL-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001000106602 678670797 /nfs/dbraw/zinc/67/07/97/678670797.db2.gz UIEQEYMRBDNPSO-YGRLFVJLSA-N 1 1 321.385 -1.041 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CNC(C)=O ZINC001056814804 678671788 /nfs/dbraw/zinc/67/17/88/678671788.db2.gz FEYBWNJRWOLZHC-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001056815112 678672221 /nfs/dbraw/zinc/67/22/21/678672221.db2.gz ROBDNTWGHNNDEU-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056865130 678674246 /nfs/dbraw/zinc/67/42/46/678674246.db2.gz ZVOHJXJKDUWTMT-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056865130 678674247 /nfs/dbraw/zinc/67/42/47/678674247.db2.gz ZVOHJXJKDUWTMT-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001056869240 678674282 /nfs/dbraw/zinc/67/42/82/678674282.db2.gz ORPCBMDNNKDENN-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001056869238 678674299 /nfs/dbraw/zinc/67/42/99/678674299.db2.gz ORPCBMDNNKDENN-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2cccn3nnnc23)CC1 ZINC001000728237 678680953 /nfs/dbraw/zinc/68/09/53/678680953.db2.gz LTDYWJMHQRWSIW-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2cccn3nnnc23)CC1 ZINC001000728237 678680956 /nfs/dbraw/zinc/68/09/56/678680956.db2.gz LTDYWJMHQRWSIW-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057111723 678690893 /nfs/dbraw/zinc/69/08/93/678690893.db2.gz UUYKKJJTQGXGMY-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057212075 678699700 /nfs/dbraw/zinc/69/97/00/678699700.db2.gz IURRZMPKLCCSKN-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1cncn1 ZINC001057213429 678699844 /nfs/dbraw/zinc/69/98/44/678699844.db2.gz IFJCKUKRDYJFME-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003759 678701288 /nfs/dbraw/zinc/70/12/88/678701288.db2.gz SMZNFBZOMSKTNQ-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001050003759 678701294 /nfs/dbraw/zinc/70/12/94/678701294.db2.gz SMZNFBZOMSKTNQ-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001050039000 678703069 /nfs/dbraw/zinc/70/30/69/678703069.db2.gz WPIXGHNHXVLUTC-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001050039000 678703074 /nfs/dbraw/zinc/70/30/74/678703074.db2.gz WPIXGHNHXVLUTC-GARJFASQSA-N 1 1 310.354 -1.236 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057243916 678703316 /nfs/dbraw/zinc/70/33/16/678703316.db2.gz JQSYBVFSIQYMCW-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001050063456 678705429 /nfs/dbraw/zinc/70/54/29/678705429.db2.gz ZCXJVZMJIMTNDZ-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001050063456 678705432 /nfs/dbraw/zinc/70/54/32/678705432.db2.gz ZCXJVZMJIMTNDZ-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001050061312 678705649 /nfs/dbraw/zinc/70/56/49/678705649.db2.gz MHNUJGZFRXTUKV-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001050061312 678705652 /nfs/dbraw/zinc/70/56/52/678705652.db2.gz MHNUJGZFRXTUKV-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1=O ZINC001050080685 678705714 /nfs/dbraw/zinc/70/57/14/678705714.db2.gz APCFXGROMPQCRA-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO CC(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057262935 678705964 /nfs/dbraw/zinc/70/59/64/678705964.db2.gz BBFDJSVHPKIICZ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057262935 678705968 /nfs/dbraw/zinc/70/59/68/678705968.db2.gz BBFDJSVHPKIICZ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2cc[nH]n2)C1 ZINC001057257727 678706151 /nfs/dbraw/zinc/70/61/51/678706151.db2.gz NIVONWAHGINEDM-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2ccn[nH]2)C1 ZINC001057257727 678706152 /nfs/dbraw/zinc/70/61/52/678706152.db2.gz NIVONWAHGINEDM-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2ccn[nH]2)C1 ZINC001057257727 678706155 /nfs/dbraw/zinc/70/61/55/678706155.db2.gz NIVONWAHGINEDM-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001050084959 678706226 /nfs/dbraw/zinc/70/62/26/678706226.db2.gz QWZAIANABXTOLG-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001050084959 678706229 /nfs/dbraw/zinc/70/62/29/678706229.db2.gz QWZAIANABXTOLG-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057264542 678706678 /nfs/dbraw/zinc/70/66/78/678706678.db2.gz BAHUIQDOBRRBMR-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057264542 678706680 /nfs/dbraw/zinc/70/66/80/678706680.db2.gz BAHUIQDOBRRBMR-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057263676 678706917 /nfs/dbraw/zinc/70/69/17/678706917.db2.gz NLUCMHBIDFQYJR-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057263676 678706919 /nfs/dbraw/zinc/70/69/19/678706919.db2.gz NLUCMHBIDFQYJR-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050109841 678707158 /nfs/dbraw/zinc/70/71/58/678707158.db2.gz CRUWLEOLUZQVGU-HZSPNIEDSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2cc[nH]c2)C1 ZINC001057265018 678707230 /nfs/dbraw/zinc/70/72/30/678707230.db2.gz MFXSQBBNVIVLHH-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2cc[nH]c2)C1 ZINC001057265018 678707232 /nfs/dbraw/zinc/70/72/32/678707232.db2.gz MFXSQBBNVIVLHH-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001050129778 678707281 /nfs/dbraw/zinc/70/72/81/678707281.db2.gz YCHLAEBTKHAXNS-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001050186679 678708176 /nfs/dbraw/zinc/70/81/76/678708176.db2.gz RFMNLECXVORCOR-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001050186679 678708179 /nfs/dbraw/zinc/70/81/79/678708179.db2.gz RFMNLECXVORCOR-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197501 678708302 /nfs/dbraw/zinc/70/83/02/678708302.db2.gz SGEQATZUOKULSX-SDDRHHMPSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050196225 678708333 /nfs/dbraw/zinc/70/83/33/678708333.db2.gz BBVMGHUDIOAGRT-SDDRHHMPSA-N 1 1 324.381 -1.110 20 0 DAADMO CNC(=O)CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001057416625 678716614 /nfs/dbraw/zinc/71/66/14/678716614.db2.gz FODQEYZOFFKQLF-UHFFFAOYSA-N 1 1 316.402 -1.600 20 0 DAADMO Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001057473208 678720980 /nfs/dbraw/zinc/72/09/80/678720980.db2.gz ISLJIBDQDKALER-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001057494398 678723418 /nfs/dbraw/zinc/72/34/18/678723418.db2.gz YSRMLCXPQLTZGL-GFCCVEGCSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001057631831 678733355 /nfs/dbraw/zinc/73/33/55/678733355.db2.gz DKIOHUWOQHWRHO-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cc2ncc[nH]2)C1 ZINC001057633646 678733601 /nfs/dbraw/zinc/73/36/01/678733601.db2.gz PRPWMDAUYODXNL-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccncn2)C1 ZINC001057633607 678733705 /nfs/dbraw/zinc/73/37/05/678733705.db2.gz OKRIZYSOAJICTB-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2cc[nH]n2)C1 ZINC001057632600 678733919 /nfs/dbraw/zinc/73/39/19/678733919.db2.gz SDZZFOSEPYBUFC-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO COCCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001050857188 678734225 /nfs/dbraw/zinc/73/42/25/678734225.db2.gz UATJOSUFTZTVMR-CHWSQXEVSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001050857188 678734228 /nfs/dbraw/zinc/73/42/28/678734228.db2.gz UATJOSUFTZTVMR-CHWSQXEVSA-N 1 1 301.387 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2c[nH]cn2)C1 ZINC001057635669 678734374 /nfs/dbraw/zinc/73/43/74/678734374.db2.gz GTSLMKORZFCLBN-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2cnc[nH]2)C1 ZINC001057635669 678734377 /nfs/dbraw/zinc/73/43/77/678734377.db2.gz GTSLMKORZFCLBN-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2cnc[nH]2)C1 ZINC001057635669 678734380 /nfs/dbraw/zinc/73/43/80/678734380.db2.gz GTSLMKORZFCLBN-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001057641950 678735068 /nfs/dbraw/zinc/73/50/68/678735068.db2.gz FCXPDGKNOKITPU-UHFFFAOYSA-N 1 1 322.325 -1.175 20 0 DAADMO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001057661301 678737188 /nfs/dbraw/zinc/73/71/88/678737188.db2.gz OZUZNNKWANQGNF-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CCO)O1 ZINC001050986117 678741148 /nfs/dbraw/zinc/74/11/48/678741148.db2.gz JXIUEFWTWAQYIN-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCCN2CCO)O1 ZINC001050986117 678741150 /nfs/dbraw/zinc/74/11/50/678741150.db2.gz JXIUEFWTWAQYIN-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2nccn2)C1 ZINC001057702150 678741239 /nfs/dbraw/zinc/74/12/39/678741239.db2.gz JLADEAFGYDLKHS-LBPRGKRZSA-N 1 1 324.385 -1.833 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CCCO)O1 ZINC001050985143 678741453 /nfs/dbraw/zinc/74/14/53/678741453.db2.gz CUFOIQDVVWYAGJ-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CCCO)O1 ZINC001050985143 678741456 /nfs/dbraw/zinc/74/14/56/678741456.db2.gz CUFOIQDVVWYAGJ-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(NC[C@H]1COCC[N@@H+]1CC1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139995 678747560 /nfs/dbraw/zinc/74/75/60/678747560.db2.gz IPBDHJCSBHIUBY-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC[C@H]1COCC[N@H+]1CC1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001051139995 678747563 /nfs/dbraw/zinc/74/75/63/678747563.db2.gz IPBDHJCSBHIUBY-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001051242293 678750948 /nfs/dbraw/zinc/75/09/48/678750948.db2.gz RUQGHSIAABWOOL-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051242087 678751066 /nfs/dbraw/zinc/75/10/66/678751066.db2.gz QDDIXKYTLXJELE-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051242958 678751419 /nfs/dbraw/zinc/75/14/19/678751419.db2.gz ZBMXIYQRHAIRQW-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO O=C(NC[C@H]1COCC[N@@H+]1CC1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001051247911 678751442 /nfs/dbraw/zinc/75/14/42/678751442.db2.gz RABPCLJEXXCTFY-RYUDHWBXSA-N 1 1 317.411 -1.095 20 0 DAADMO O=C(NC[C@H]1COCC[N@H+]1CC1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001051247911 678751447 /nfs/dbraw/zinc/75/14/47/678751447.db2.gz RABPCLJEXXCTFY-RYUDHWBXSA-N 1 1 317.411 -1.095 20 0 DAADMO Cn1nnc(CN2CCOC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001051242295 678751607 /nfs/dbraw/zinc/75/16/07/678751607.db2.gz RUQGHSIAABWOOL-RYUDHWBXSA-N 1 1 323.401 -1.521 20 0 DAADMO COCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051375832 678754229 /nfs/dbraw/zinc/75/42/29/678754229.db2.gz KFYMRBDPMUKLAS-NSHDSACASA-N 1 1 310.358 -1.029 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051421320 678754567 /nfs/dbraw/zinc/75/45/67/678754567.db2.gz OKFAGHVYKNLZSO-LLVKDONJSA-N 1 1 307.314 -1.322 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051421322 678754579 /nfs/dbraw/zinc/75/45/79/678754579.db2.gz OKFAGHVYKNLZSO-NSHDSACASA-N 1 1 307.314 -1.322 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051422425 678754626 /nfs/dbraw/zinc/75/46/26/678754626.db2.gz YGFPTKYATBRTBU-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)co1 ZINC001051420804 678754728 /nfs/dbraw/zinc/75/47/28/678754728.db2.gz KFETVPPJYXWUEL-GFCCVEGCSA-N 1 1 321.341 -1.013 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051420816 678754734 /nfs/dbraw/zinc/75/47/34/678754734.db2.gz KFRODOLURZRHHP-JTQLQIEISA-N 1 1 308.302 -1.927 20 0 DAADMO CSCC(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051415961 678754802 /nfs/dbraw/zinc/75/48/02/678754802.db2.gz OXNARWNTURCJFD-VIFPVBQESA-N 1 1 315.399 -1.212 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051421507 678754991 /nfs/dbraw/zinc/75/49/91/678754991.db2.gz QPBXJXWLCXQDPK-SNVBAGLBSA-N 1 1 322.329 -1.618 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)cn1 ZINC001051423342 678755389 /nfs/dbraw/zinc/75/53/89/678755389.db2.gz GNAZXUCCVGELFG-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO O=C([C@H]1COCCO1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051458301 678755985 /nfs/dbraw/zinc/75/59/85/678755985.db2.gz TXWHDJMXZRFRBN-VXGBXAGGSA-N 1 1 312.326 -1.198 20 0 DAADMO Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)[nH]n1 ZINC001051469709 678757292 /nfs/dbraw/zinc/75/72/92/678757292.db2.gz WEFSZPSYIGZYQF-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO CO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051474350 678757874 /nfs/dbraw/zinc/75/78/74/678757874.db2.gz XFCUMAADRSQFHC-UWVGGRQHSA-N 1 1 313.358 -1.540 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3cocn3)CCO2)nc1=O ZINC001051483004 678758484 /nfs/dbraw/zinc/75/84/84/678758484.db2.gz MBNWRIJRONOBPH-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001051488776 678758531 /nfs/dbraw/zinc/75/85/31/678758531.db2.gz SNGHYUZXZPGYND-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)nn1 ZINC001051489618 678758858 /nfs/dbraw/zinc/75/88/58/678758858.db2.gz IWCDOZZHHWSAAJ-VXGBXAGGSA-N 1 1 322.369 -1.589 20 0 DAADMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC001051506069 678759705 /nfs/dbraw/zinc/75/97/05/678759705.db2.gz WJMNZIJNFGXZSG-NSHDSACASA-N 1 1 310.358 -1.510 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)nc1 ZINC001051506139 678759831 /nfs/dbraw/zinc/75/98/31/678759831.db2.gz XVRMPAZVALFLTD-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051506062 678759927 /nfs/dbraw/zinc/75/99/27/678759927.db2.gz WGDRSMXZLIRPHG-JTQLQIEISA-N 1 1 322.369 -1.126 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051506063 678760101 /nfs/dbraw/zinc/76/01/01/678760101.db2.gz WGDRSMXZLIRPHG-SNVBAGLBSA-N 1 1 322.369 -1.126 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)C1=O ZINC001051511311 678760441 /nfs/dbraw/zinc/76/04/41/678760441.db2.gz YSYNVFZFXNNPTF-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001051506744 678760511 /nfs/dbraw/zinc/76/05/11/678760511.db2.gz CLOKWEIKHLVPMJ-NSHDSACASA-N 1 1 320.357 -1.507 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3ccn[nH]3)CCO2)C1=O ZINC001051511308 678760573 /nfs/dbraw/zinc/76/05/73/678760573.db2.gz YSYNVFZFXNNPTF-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051546202 678760585 /nfs/dbraw/zinc/76/05/85/678760585.db2.gz YFAPLAGESXGBGR-PWSUYJOCSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)c1 ZINC001051548920 678760604 /nfs/dbraw/zinc/76/06/04/678760604.db2.gz YLNNDZSZCJSFNQ-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051508845 678760679 /nfs/dbraw/zinc/76/06/79/678760679.db2.gz HPYMOKRIJIZPRR-NEPJUHHUSA-N 1 1 307.354 -1.342 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051546203 678760690 /nfs/dbraw/zinc/76/06/90/678760690.db2.gz YFAPLAGESXGBGR-ZYHUDNBSSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051508846 678760708 /nfs/dbraw/zinc/76/07/08/678760708.db2.gz HPYMOKRIJIZPRR-NWDGAFQWSA-N 1 1 307.354 -1.342 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051508847 678760749 /nfs/dbraw/zinc/76/07/49/678760749.db2.gz HPYMOKRIJIZPRR-RYUDHWBXSA-N 1 1 307.354 -1.342 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001051581429 678761153 /nfs/dbraw/zinc/76/11/53/678761153.db2.gz DQCXZCGSVCUKMB-JTQLQIEISA-N 1 1 312.374 -1.312 20 0 DAADMO CO[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1)C1CC1 ZINC001051583932 678761273 /nfs/dbraw/zinc/76/12/73/678761273.db2.gz MAQGNHHLVVGFSC-DGCLKSJQSA-N 1 1 324.385 -1.048 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)nn1 ZINC001051588739 678761863 /nfs/dbraw/zinc/76/18/63/678761863.db2.gz XKGUCYGBMBUUIU-GHMZBOCLSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588737 678761870 /nfs/dbraw/zinc/76/18/70/678761870.db2.gz XIDVQRWETHQZEC-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001051586758 678761879 /nfs/dbraw/zinc/76/18/79/678761879.db2.gz BQGSLXJHZOSNCM-NXEZZACHSA-N 1 1 324.341 -1.760 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051587250 678761967 /nfs/dbraw/zinc/76/19/67/678761967.db2.gz GEBXVEHPAKEFQD-QWRGUYRKSA-N 1 1 321.337 -1.098 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051589615 678762004 /nfs/dbraw/zinc/76/20/04/678762004.db2.gz PVKHCEMLBRZVCI-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)[nH]1 ZINC001051586945 678762071 /nfs/dbraw/zinc/76/20/71/678762071.db2.gz DRQALCIGZPVUOL-NXEZZACHSA-N 1 1 324.341 -1.461 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051594041 678762860 /nfs/dbraw/zinc/76/28/60/678762860.db2.gz DLAJJWCAIBIRAI-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)nn1 ZINC001051593796 678762936 /nfs/dbraw/zinc/76/29/36/678762936.db2.gz BWROBDQDFKGQBA-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cn(C)nn3)CCO2)nn1 ZINC001051594006 678763045 /nfs/dbraw/zinc/76/30/45/678763045.db2.gz CLCSPZLCGKDMFF-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001051602214 678763398 /nfs/dbraw/zinc/76/33/98/678763398.db2.gz DIKXMBJEDDNFBS-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3ncc[nH]3)CCO2)nc1=O ZINC001051602910 678763559 /nfs/dbraw/zinc/76/35/59/678763559.db2.gz NRSJVIJXCHPQIB-SECBINFHSA-N 1 1 321.341 -1.538 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051605730 678763682 /nfs/dbraw/zinc/76/36/82/678763682.db2.gz JAUXTGHSEAMRPA-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001051647028 678765295 /nfs/dbraw/zinc/76/52/95/678765295.db2.gz ITHBNYZWYYCZCI-JQWIXIFHSA-N 1 1 323.353 -1.135 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001051647030 678765302 /nfs/dbraw/zinc/76/53/02/678765302.db2.gz ITHBNYZWYYCZCI-ZYHUDNBSSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051640750 678765532 /nfs/dbraw/zinc/76/55/32/678765532.db2.gz JAQMVDOWESKEER-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)[nH]1 ZINC001051698539 678766590 /nfs/dbraw/zinc/76/65/90/678766590.db2.gz VWIFPMVCQVSWBF-VIFPVBQESA-N 1 1 306.330 -1.138 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2csnn2)CCO1 ZINC001051741089 678768008 /nfs/dbraw/zinc/76/80/08/678768008.db2.gz UCSXLVDNEOGSSA-QMMMGPOBSA-N 1 1 324.370 -1.308 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051749086 678768630 /nfs/dbraw/zinc/76/86/30/678768630.db2.gz APWGWWUEPVAVGG-NXEZZACHSA-N 1 1 308.342 -1.568 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051749093 678768719 /nfs/dbraw/zinc/76/87/19/678768719.db2.gz APWGWWUEPVAVGG-UWVGGRQHSA-N 1 1 308.342 -1.568 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051749119 678768776 /nfs/dbraw/zinc/76/87/76/678768776.db2.gz AXMMPOOYNFFZMZ-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051750308 678768835 /nfs/dbraw/zinc/76/88/35/678768835.db2.gz NDNGFZVPJJCCNK-NSHDSACASA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753185 678769192 /nfs/dbraw/zinc/76/91/92/678769192.db2.gz XRMCDUIWDMERRV-QWRGUYRKSA-N 1 1 323.353 -1.169 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nn1 ZINC001051752896 678769196 /nfs/dbraw/zinc/76/91/96/678769196.db2.gz RTJSPOXOKIQZAW-NWDGAFQWSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753067 678769468 /nfs/dbraw/zinc/76/94/68/678769468.db2.gz VUUCCDJFEXMCRY-QWRGUYRKSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051774166 678770810 /nfs/dbraw/zinc/77/08/10/678770810.db2.gz UMEAMVKZMRLZSW-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)n1 ZINC001051774680 678770820 /nfs/dbraw/zinc/77/08/20/678770820.db2.gz ZRTMDNPGZXEWJS-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncs3)C2)n1 ZINC001051773902 678770985 /nfs/dbraw/zinc/77/09/85/678770985.db2.gz SSPFKPRPDKZLNG-MRVPVSSYSA-N 1 1 324.370 -1.308 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051772721 678771139 /nfs/dbraw/zinc/77/11/39/678771139.db2.gz LILIOWBZUPRYEO-SNVBAGLBSA-N 1 1 321.345 -2.031 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051788315 678771488 /nfs/dbraw/zinc/77/14/88/678771488.db2.gz FCCRJDOUGIGBMA-JTQLQIEISA-N 1 1 320.309 -1.216 20 0 DAADMO CN1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)C1=O ZINC001051782150 678771543 /nfs/dbraw/zinc/77/15/43/678771543.db2.gz VZIZMOPGCHAAJO-NEPJUHHUSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791716 678771833 /nfs/dbraw/zinc/77/18/33/678771833.db2.gz DLPKKOASFFDFAV-RKDXNWHRSA-N 1 1 324.345 -2.792 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051792575 678772162 /nfs/dbraw/zinc/77/21/62/678772162.db2.gz MSCYDZADTJSKGW-ZJUUUORDSA-N 1 1 310.314 -1.932 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)o1 ZINC001051793950 678772262 /nfs/dbraw/zinc/77/22/62/678772262.db2.gz XWWZEHHZISENHL-GHMZBOCLSA-N 1 1 323.353 -1.019 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001051793023 678772421 /nfs/dbraw/zinc/77/24/21/678772421.db2.gz RPXKITCLDATKCQ-GHMZBOCLSA-N 1 1 323.357 -2.187 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)s1 ZINC001051794595 678772741 /nfs/dbraw/zinc/77/27/41/678772741.db2.gz PCVYFZMNMNBOQD-QMMMGPOBSA-N 1 1 313.383 -1.097 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794311 678772802 /nfs/dbraw/zinc/77/28/02/678772802.db2.gz JZZGNCVDOWBTNY-JTQLQIEISA-N 1 1 322.369 -1.505 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)o1 ZINC001051793951 678772905 /nfs/dbraw/zinc/77/29/05/678772905.db2.gz XWWZEHHZISENHL-MNOVXSKESA-N 1 1 323.353 -1.019 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051794867 678772929 /nfs/dbraw/zinc/77/29/29/678772929.db2.gz VMCVHONGDMQMEQ-SECBINFHSA-N 1 1 324.337 -1.450 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)s1 ZINC001051794594 678773018 /nfs/dbraw/zinc/77/30/18/678773018.db2.gz PCVYFZMNMNBOQD-MRVPVSSYSA-N 1 1 313.383 -1.097 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001051794840 678773095 /nfs/dbraw/zinc/77/30/95/678773095.db2.gz UKAOZGJUOYJDBA-VIFPVBQESA-N 1 1 308.342 -1.516 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794776 678773197 /nfs/dbraw/zinc/77/31/97/678773197.db2.gz SCFVBYVLYILBKP-VIFPVBQESA-N 1 1 324.385 -1.096 20 0 DAADMO CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795423 678773449 /nfs/dbraw/zinc/77/34/49/678773449.db2.gz GSPKDVCFHZEACA-SECBINFHSA-N 1 1 311.346 -1.944 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051797756 678773826 /nfs/dbraw/zinc/77/38/26/678773826.db2.gz FAUMPWPKVNMFDD-JTQLQIEISA-N 1 1 322.369 -1.602 20 0 DAADMO C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CCNC1=O ZINC001051822879 678774675 /nfs/dbraw/zinc/77/46/75/678774675.db2.gz RHJSDZWERJYFKW-FZMZJTMJSA-N 1 1 323.353 -1.087 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051827921 678775032 /nfs/dbraw/zinc/77/50/32/678775032.db2.gz VECFFVRDUFQBME-AXFHLTTASA-N 1 1 309.326 -1.492 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001051828110 678775044 /nfs/dbraw/zinc/77/50/44/678775044.db2.gz WZVJMVRLDIVEHI-TUAOUCFPSA-N 1 1 322.369 -1.747 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051833459 678775124 /nfs/dbraw/zinc/77/51/24/678775124.db2.gz ZFGBFTYLVSJRPR-NWDGAFQWSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051833459 678775125 /nfs/dbraw/zinc/77/51/25/678775125.db2.gz ZFGBFTYLVSJRPR-NWDGAFQWSA-N 1 1 322.369 -1.557 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001051848061 678775647 /nfs/dbraw/zinc/77/56/47/678775647.db2.gz JLXZGGRSSLDQGI-LLVKDONJSA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)nn1 ZINC001051867662 678776282 /nfs/dbraw/zinc/77/62/82/678776282.db2.gz MWYUPBUKZBINQR-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051870145 678776381 /nfs/dbraw/zinc/77/63/81/678776381.db2.gz HAXPLGAFJLAQAY-MRVPVSSYSA-N 1 1 307.318 -2.041 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1)c1nnnn1C ZINC001051873317 678776435 /nfs/dbraw/zinc/77/64/35/678776435.db2.gz UVKCYLZOYZGPFC-DTWKUNHWSA-N 1 1 321.345 -1.480 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051869978 678776912 /nfs/dbraw/zinc/77/69/12/678776912.db2.gz ZWGDZXSNAGYHEA-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3cnon3)CCO2)nc1=O ZINC001051875772 678777223 /nfs/dbraw/zinc/77/72/23/678777223.db2.gz AKNFZSPAXLGSIA-QMMMGPOBSA-N 1 1 323.313 -1.878 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051874798 678777662 /nfs/dbraw/zinc/77/76/62/678777662.db2.gz HXIPDKTWOMSSPQ-QMMMGPOBSA-N 1 1 308.302 -1.776 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1 ZINC001051884193 678778120 /nfs/dbraw/zinc/77/81/20/678778120.db2.gz JQWUPOGPVUBSPP-RISCZKNCSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)n1 ZINC001051896823 678778393 /nfs/dbraw/zinc/77/83/93/678778393.db2.gz NFVYCWVJPHFYGN-LLVKDONJSA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051896088 678778401 /nfs/dbraw/zinc/77/84/01/678778401.db2.gz FBNBPTGNQDLBBL-JTQLQIEISA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051907883 678778727 /nfs/dbraw/zinc/77/87/27/678778727.db2.gz CFRBJCZXZFVVOG-MNOVXSKESA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051908817 678778769 /nfs/dbraw/zinc/77/87/69/678778769.db2.gz LZUUHCFUCKBSJA-MNOVXSKESA-N 1 1 322.369 -1.589 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051909643 678778795 /nfs/dbraw/zinc/77/87/95/678778795.db2.gz XXEYSSRWEUWSKT-QWRGUYRKSA-N 1 1 309.326 -1.335 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)[nH]1 ZINC001051909297 678778822 /nfs/dbraw/zinc/77/88/22/678778822.db2.gz QMWWEBKDHKLHPL-MNOVXSKESA-N 1 1 322.369 -1.291 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCO2)nn1 ZINC001051924619 678779452 /nfs/dbraw/zinc/77/94/52/678779452.db2.gz RYUIVHBWDIEURQ-LBPRGKRZSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930240 678780075 /nfs/dbraw/zinc/78/00/75/678780075.db2.gz KIDOWLSWTHLZDC-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051932238 678780259 /nfs/dbraw/zinc/78/02/59/678780259.db2.gz MCTGPEQHNXYRQQ-MNOVXSKESA-N 1 1 324.385 -1.221 20 0 DAADMO O=C(CN1CCCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051931620 678780412 /nfs/dbraw/zinc/78/04/12/678780412.db2.gz AFQNMMYNJZCZOT-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO CC(=O)N1CC[C@@H]([NH+]2CCN(Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC001051960869 678781350 /nfs/dbraw/zinc/78/13/50/678781350.db2.gz PFVCXSITCARWBC-GFCCVEGCSA-N 1 1 308.386 -1.153 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052027753 678783444 /nfs/dbraw/zinc/78/34/44/678783444.db2.gz JMYCBQAIIPVIBU-GFCCVEGCSA-N 1 1 311.365 -1.139 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052183646 678787697 /nfs/dbraw/zinc/78/76/97/678787697.db2.gz GREGPGFWFNNZLQ-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001052184570 678787730 /nfs/dbraw/zinc/78/77/30/678787730.db2.gz MQYLUWOFIOPSPU-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)CC[N@H+]1C ZINC001057738874 678789039 /nfs/dbraw/zinc/78/90/39/678789039.db2.gz HFWSBLQORFQTAV-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)nn1 ZINC001052377533 678789173 /nfs/dbraw/zinc/78/91/73/678789173.db2.gz BFSOFIUCJLYJEI-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)CC2)nn1 ZINC001052377533 678789175 /nfs/dbraw/zinc/78/91/75/678789175.db2.gz BFSOFIUCJLYJEI-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052326010 678789463 /nfs/dbraw/zinc/78/94/63/678789463.db2.gz WEFMGCHTUKZURY-MNOVXSKESA-N 1 1 322.369 -1.157 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)nn1 ZINC001052377535 678789538 /nfs/dbraw/zinc/78/95/38/678789538.db2.gz BFSOFIUCJLYJEI-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)nn1 ZINC001052377535 678789540 /nfs/dbraw/zinc/78/95/40/678789540.db2.gz BFSOFIUCJLYJEI-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052380175 678789711 /nfs/dbraw/zinc/78/97/11/678789711.db2.gz UQCSKAHGOQSGPQ-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052393996 678789796 /nfs/dbraw/zinc/78/97/96/678789796.db2.gz SXFJJAGSLYLYHY-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052381946 678790086 /nfs/dbraw/zinc/79/00/86/678790086.db2.gz ASBGPDJYXFMNRR-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001052380172 678790165 /nfs/dbraw/zinc/79/01/65/678790165.db2.gz UQCSKAHGOQSGPQ-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)c1=O ZINC001052427860 678790571 /nfs/dbraw/zinc/79/05/71/678790571.db2.gz BTLYOSCUQLQKHM-LBPRGKRZSA-N 1 1 324.381 -1.490 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001052455060 678791312 /nfs/dbraw/zinc/79/13/12/678791312.db2.gz NSOQDMORRKNSLG-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506963 678791822 /nfs/dbraw/zinc/79/18/22/678791822.db2.gz OWQXDIRJRFGHPU-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506962 678791912 /nfs/dbraw/zinc/79/19/12/678791912.db2.gz OWQXDIRJRFGHPU-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506961 678791944 /nfs/dbraw/zinc/79/19/44/678791944.db2.gz OWQXDIRJRFGHPU-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)CC1 ZINC001052525694 678792232 /nfs/dbraw/zinc/79/22/32/678792232.db2.gz NVQBCEOGGJUNGV-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)CC1 ZINC001052525690 678792253 /nfs/dbraw/zinc/79/22/53/678792253.db2.gz NVQBCEOGGJUNGV-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052536905 678792511 /nfs/dbraw/zinc/79/25/11/678792511.db2.gz IWQOZSVCUXFAFK-NSHDSACASA-N 1 1 310.354 -1.088 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)ncc1=O ZINC001052576866 678792615 /nfs/dbraw/zinc/79/26/15/678792615.db2.gz UUFKDQAUYQCNRF-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC001052633341 678792782 /nfs/dbraw/zinc/79/27/82/678792782.db2.gz NCDVDNJLDCQWPV-UWVGGRQHSA-N 1 1 307.358 -1.317 20 0 DAADMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001052581898 678793002 /nfs/dbraw/zinc/79/30/02/678793002.db2.gz BLLUDRICGGRPFB-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622073 678793114 /nfs/dbraw/zinc/79/31/14/678793114.db2.gz NFRXOTIULVTXLJ-NSHDSACASA-N 1 1 311.386 -2.126 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052632689 678793153 /nfs/dbraw/zinc/79/31/53/678793153.db2.gz ISCREXTZCKXCHK-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057854402 678796021 /nfs/dbraw/zinc/79/60/21/678796021.db2.gz HFVMRGLZFIVJIT-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(=O)NCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863547 678796598 /nfs/dbraw/zinc/79/65/98/678796598.db2.gz WFKXVNFXUAKAQV-UHFFFAOYSA-N 1 1 316.402 -1.600 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058038720 678802773 /nfs/dbraw/zinc/80/27/73/678802773.db2.gz DVXZOKAPOOMNIU-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058038720 678802775 /nfs/dbraw/zinc/80/27/75/678802775.db2.gz DVXZOKAPOOMNIU-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058038720 678802778 /nfs/dbraw/zinc/80/27/78/678802778.db2.gz DVXZOKAPOOMNIU-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057006 678803635 /nfs/dbraw/zinc/80/36/35/678803635.db2.gz SALGCTQARTUHAJ-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058057005 678803896 /nfs/dbraw/zinc/80/38/96/678803896.db2.gz SALGCTQARTUHAJ-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001058058838 678805131 /nfs/dbraw/zinc/80/51/31/678805131.db2.gz FLTFWSRCRVGSSV-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058060134 678805543 /nfs/dbraw/zinc/80/55/43/678805543.db2.gz NHWDPGNUAVLGBI-GFCCVEGCSA-N 1 1 324.385 -1.160 20 0 DAADMO O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC001058163548 678809670 /nfs/dbraw/zinc/80/96/70/678809670.db2.gz MIYMJEJVQVTEGE-UHFFFAOYSA-N 1 1 322.369 -1.549 20 0 DAADMO O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC001058163548 678809671 /nfs/dbraw/zinc/80/96/71/678809671.db2.gz MIYMJEJVQVTEGE-UHFFFAOYSA-N 1 1 322.369 -1.549 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058278312 678813324 /nfs/dbraw/zinc/81/33/24/678813324.db2.gz JTWPMHALPZLGKI-NSHDSACASA-N 1 1 324.385 -1.384 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058278312 678813328 /nfs/dbraw/zinc/81/33/28/678813328.db2.gz JTWPMHALPZLGKI-NSHDSACASA-N 1 1 324.385 -1.384 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058278312 678813332 /nfs/dbraw/zinc/81/33/32/678813332.db2.gz JTWPMHALPZLGKI-NSHDSACASA-N 1 1 324.385 -1.384 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058310255 678816380 /nfs/dbraw/zinc/81/63/80/678816380.db2.gz NGEKVYJIZAVMIQ-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058310255 678816382 /nfs/dbraw/zinc/81/63/82/678816382.db2.gz NGEKVYJIZAVMIQ-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058384224 678818598 /nfs/dbraw/zinc/81/85/98/678818598.db2.gz BLJSPSNGVWCPQW-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058405589 678819824 /nfs/dbraw/zinc/81/98/24/678819824.db2.gz NGEKVYJIZAVMIQ-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058405589 678819828 /nfs/dbraw/zinc/81/98/28/678819828.db2.gz NGEKVYJIZAVMIQ-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[C@@H](CNC(=O)C(N)=O)O3)C1 ZINC001068617749 678832170 /nfs/dbraw/zinc/83/21/70/678832170.db2.gz GRCDTODJHUDDPD-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068902663 678839089 /nfs/dbraw/zinc/83/90/89/678839089.db2.gz SCNPBCNSZZECDX-SNVBAGLBSA-N 1 1 312.370 -1.702 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068940779 678839724 /nfs/dbraw/zinc/83/97/24/678839724.db2.gz QJCQPSGDYQSLTH-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068992895 678840331 /nfs/dbraw/zinc/84/03/31/678840331.db2.gz QGWUTAFVUOKEDE-SNVBAGLBSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068991685 678840497 /nfs/dbraw/zinc/84/04/97/678840497.db2.gz APOFZPIDXXLACE-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC001069038435 678841625 /nfs/dbraw/zinc/84/16/25/678841625.db2.gz CXGPAXHUYKTABK-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892514 678844990 /nfs/dbraw/zinc/84/49/90/678844990.db2.gz BHOKEZSUVRRSSU-UTUOFQBUSA-N 1 1 323.353 -1.111 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069894280 678845094 /nfs/dbraw/zinc/84/50/94/678845094.db2.gz MQRDDAXEIFXEHY-NEPJUHHUSA-N 1 1 317.357 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C1=COCCO1 ZINC001069892888 678845124 /nfs/dbraw/zinc/84/51/24/678845124.db2.gz UNJRXNNWXSMGPQ-MNOVXSKESA-N 1 1 309.326 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C1=COCCO1 ZINC001069892888 678845128 /nfs/dbraw/zinc/84/51/28/678845128.db2.gz UNJRXNNWXSMGPQ-MNOVXSKESA-N 1 1 309.326 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)C1=COCCO1 ZINC001069892527 678845285 /nfs/dbraw/zinc/84/52/85/678845285.db2.gz BWZWDUFSTWUYJH-NEPJUHHUSA-N 1 1 323.353 -1.110 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)cn1 ZINC001069894852 678845332 /nfs/dbraw/zinc/84/53/32/678845332.db2.gz OGWQUDJSRLOPDV-NEPJUHHUSA-N 1 1 305.342 -1.341 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)cn1 ZINC001069894852 678845336 /nfs/dbraw/zinc/84/53/36/678845336.db2.gz OGWQUDJSRLOPDV-NEPJUHHUSA-N 1 1 305.342 -1.341 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069894296 678845470 /nfs/dbraw/zinc/84/54/70/678845470.db2.gz NQZKDHZKLMYQEY-MNOVXSKESA-N 1 1 323.336 -1.334 20 0 DAADMO CC(C)[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069895024 678846153 /nfs/dbraw/zinc/84/61/53/678846153.db2.gz WWTZNAOTRNNXLX-MNOVXSKESA-N 1 1 305.346 -1.285 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069923987 678846443 /nfs/dbraw/zinc/84/64/43/678846443.db2.gz VFAOVUQGDRTFNW-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069923987 678846449 /nfs/dbraw/zinc/84/64/49/678846449.db2.gz VFAOVUQGDRTFNW-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069920284 678846683 /nfs/dbraw/zinc/84/66/83/678846683.db2.gz FORKONKNFBVHAW-FOGDFJRCSA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069920284 678846687 /nfs/dbraw/zinc/84/66/87/678846687.db2.gz FORKONKNFBVHAW-FOGDFJRCSA-N 1 1 320.357 -1.557 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1COC(=O)N1 ZINC001069918255 678846781 /nfs/dbraw/zinc/84/67/81/678846781.db2.gz HQDGBYONLLOCEF-BBBLOLIVSA-N 1 1 310.314 -2.280 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1COC(=O)N1 ZINC001069918255 678846782 /nfs/dbraw/zinc/84/67/82/678846782.db2.gz HQDGBYONLLOCEF-BBBLOLIVSA-N 1 1 310.314 -2.280 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001069938708 678847454 /nfs/dbraw/zinc/84/74/54/678847454.db2.gz BSWPLMBPIMDDKO-TUAOUCFPSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930498 678847537 /nfs/dbraw/zinc/84/75/37/678847537.db2.gz MSQGWSIKUKIVHO-SYQHCUMBSA-N 1 1 322.413 -1.048 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069926227 678847577 /nfs/dbraw/zinc/84/75/77/678847577.db2.gz VEULAUDHDIGUEH-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001069926227 678847582 /nfs/dbraw/zinc/84/75/82/678847582.db2.gz VEULAUDHDIGUEH-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCCC(=O)N1 ZINC001069952267 678848169 /nfs/dbraw/zinc/84/81/69/678848169.db2.gz BQEZEDIERDFYGG-UTUOFQBUSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCCC(=O)N1 ZINC001069952267 678848176 /nfs/dbraw/zinc/84/81/76/678848176.db2.gz BQEZEDIERDFYGG-UTUOFQBUSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945040 678848321 /nfs/dbraw/zinc/84/83/21/678848321.db2.gz CTRVGXFNLQNFPT-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945040 678848326 /nfs/dbraw/zinc/84/83/26/678848326.db2.gz CTRVGXFNLQNFPT-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)NC1=O ZINC001069995029 678849174 /nfs/dbraw/zinc/84/91/74/678849174.db2.gz DOJVMDDMVISOJS-VWYCJHECSA-N 1 1 323.357 -2.365 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)NC1=O ZINC001069995029 678849177 /nfs/dbraw/zinc/84/91/77/678849177.db2.gz DOJVMDDMVISOJS-VWYCJHECSA-N 1 1 323.357 -2.365 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069995332 678849190 /nfs/dbraw/zinc/84/91/90/678849190.db2.gz JNFSFEWZKZMAGH-NEPJUHHUSA-N 1 1 321.385 -1.929 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000589 678849220 /nfs/dbraw/zinc/84/92/20/678849220.db2.gz BJTCDVLVSBCUDF-BBBLOLIVSA-N 1 1 321.345 -2.162 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070000589 678849224 /nfs/dbraw/zinc/84/92/24/678849224.db2.gz BJTCDVLVSBCUDF-BBBLOLIVSA-N 1 1 321.345 -2.162 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070001885 678849357 /nfs/dbraw/zinc/84/93/57/678849357.db2.gz JNRCOAKUMAWAOJ-ZJUUUORDSA-N 1 1 305.346 -1.133 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070000917 678849390 /nfs/dbraw/zinc/84/93/90/678849390.db2.gz WAOXOUCQNZUHRX-BDAKNGLRSA-N 1 1 307.318 -2.551 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070000917 678849393 /nfs/dbraw/zinc/84/93/93/678849393.db2.gz WAOXOUCQNZUHRX-BDAKNGLRSA-N 1 1 307.318 -2.551 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCNC1=O ZINC001069997611 678849408 /nfs/dbraw/zinc/84/94/08/678849408.db2.gz LVCXIMRHITVENM-AXFHLTTASA-N 1 1 308.342 -2.252 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCNC1=O ZINC001069997611 678849413 /nfs/dbraw/zinc/84/94/13/678849413.db2.gz LVCXIMRHITVENM-AXFHLTTASA-N 1 1 308.342 -2.252 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1=O ZINC001069999489 678849797 /nfs/dbraw/zinc/84/97/97/678849797.db2.gz HWOPWMQYECGGIH-UTUOFQBUSA-N 1 1 322.369 -1.910 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1=O ZINC001069999489 678849799 /nfs/dbraw/zinc/84/97/99/678849799.db2.gz HWOPWMQYECGGIH-UTUOFQBUSA-N 1 1 322.369 -1.910 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069995601 678849807 /nfs/dbraw/zinc/84/98/07/678849807.db2.gz ORQBLCIWDDPEME-MNOVXSKESA-N 1 1 320.357 -1.258 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069995601 678849809 /nfs/dbraw/zinc/84/98/09/678849809.db2.gz ORQBLCIWDDPEME-MNOVXSKESA-N 1 1 320.357 -1.258 20 0 DAADMO CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012778 678850920 /nfs/dbraw/zinc/85/09/20/678850920.db2.gz OBSVUHPARYEFCA-AXFHLTTASA-N 1 1 307.358 -1.291 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070014115 678851018 /nfs/dbraw/zinc/85/10/18/678851018.db2.gz XDOCBQJMHVDKMO-NEPJUHHUSA-N 1 1 322.369 -1.326 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070014115 678851022 /nfs/dbraw/zinc/85/10/22/678851022.db2.gz XDOCBQJMHVDKMO-NEPJUHHUSA-N 1 1 322.369 -1.326 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070039621 678851578 /nfs/dbraw/zinc/85/15/78/678851578.db2.gz NNLWQQKGFSMERE-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070043984 678851594 /nfs/dbraw/zinc/85/15/94/678851594.db2.gz UCTQCGOKOYYVGV-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070043984 678851598 /nfs/dbraw/zinc/85/15/98/678851598.db2.gz UCTQCGOKOYYVGV-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070055672 678853162 /nfs/dbraw/zinc/85/31/62/678853162.db2.gz JTZPEDGDJIBCDO-ZJUUUORDSA-N 1 1 321.341 -1.809 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001070052880 678853225 /nfs/dbraw/zinc/85/32/25/678853225.db2.gz QTJNWNOUMCIEQY-MNOVXSKESA-N 1 1 320.353 -1.308 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ncccn1 ZINC001070057339 678853244 /nfs/dbraw/zinc/85/32/44/678853244.db2.gz KRIGSRXFCZLPAI-MNOVXSKESA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ncccn1 ZINC001070057339 678853246 /nfs/dbraw/zinc/85/32/46/678853246.db2.gz KRIGSRXFCZLPAI-MNOVXSKESA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1CCC(=O)N1 ZINC001070079859 678853710 /nfs/dbraw/zinc/85/37/10/678853710.db2.gz XEIMRMWHQYCLDA-TUAOUCFPSA-N 1 1 322.369 -1.719 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070091671 678853886 /nfs/dbraw/zinc/85/38/86/678853886.db2.gz ZTQRLRNZRFHVEI-ZJUUUORDSA-N 1 1 321.341 -1.809 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070084705 678853938 /nfs/dbraw/zinc/85/39/38/678853938.db2.gz QPRPXAXVBIYSJT-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070084705 678853942 /nfs/dbraw/zinc/85/39/42/678853942.db2.gz QPRPXAXVBIYSJT-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070091593 678854084 /nfs/dbraw/zinc/85/40/84/678854084.db2.gz UNPZPPDJMYZNHF-MNOVXSKESA-N 1 1 306.330 -2.096 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070091593 678854088 /nfs/dbraw/zinc/85/40/88/678854088.db2.gz UNPZPPDJMYZNHF-MNOVXSKESA-N 1 1 306.330 -2.096 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111276 678854444 /nfs/dbraw/zinc/85/44/44/678854444.db2.gz BGQUVPFHNABMKE-AXFHLTTASA-N 1 1 320.353 -1.308 20 0 DAADMO O=C(CCc1cnc[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070206421 678858718 /nfs/dbraw/zinc/85/87/18/678858718.db2.gz ABVWCVFBZSAYIO-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227482 678860305 /nfs/dbraw/zinc/86/03/05/678860305.db2.gz GCFBCPQIVGYISX-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070229784 678861403 /nfs/dbraw/zinc/86/14/03/678861403.db2.gz IMHOPGMHFCKBNK-UHFFFAOYSA-N 1 1 323.353 -1.542 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070249583 678861821 /nfs/dbraw/zinc/86/18/21/678861821.db2.gz YWQWUMXFVJKCOO-ZJUUUORDSA-N 1 1 306.330 -1.648 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070250226 678862066 /nfs/dbraw/zinc/86/20/66/678862066.db2.gz KKWOPJQOTMYYHH-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070262841 678863174 /nfs/dbraw/zinc/86/31/74/678863174.db2.gz OBKDBZYXAOLLEM-NEPJUHHUSA-N 1 1 315.337 -1.300 20 0 DAADMO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070264206 678863216 /nfs/dbraw/zinc/86/32/16/678863216.db2.gz CBYVVYBSLIWXID-AEJSXWLSSA-N 1 1 321.341 -2.664 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070264511 678863353 /nfs/dbraw/zinc/86/33/53/678863353.db2.gz QIJSQUBSRSFOFD-ZJUUUORDSA-N 1 1 321.366 -1.238 20 0 DAADMO O=C(CN1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070327915 678864821 /nfs/dbraw/zinc/86/48/21/678864821.db2.gz IVXLSFDILMVYAJ-OLZOCXBDSA-N 1 1 308.386 -1.292 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001070422886 678866695 /nfs/dbraw/zinc/86/66/95/678866695.db2.gz KWMJHTUWFIIJLC-GXSJLCMTSA-N 1 1 322.369 -1.511 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001070422889 678866897 /nfs/dbraw/zinc/86/68/97/678866897.db2.gz KWMJHTUWFIIJLC-ONGXEEELSA-N 1 1 322.369 -1.511 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001070407363 678867010 /nfs/dbraw/zinc/86/70/10/678867010.db2.gz DFMQQQFSMVJDOH-ONGXEEELSA-N 1 1 323.353 -1.084 20 0 DAADMO COCC[NH+]1CC2(C1)CN(C(=O)C(N)=O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449581 678867753 /nfs/dbraw/zinc/86/77/53/678867753.db2.gz SZJWFUVRQXGNRS-SNVBAGLBSA-N 1 1 322.369 -1.527 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2[NH2+]CCO)c1 ZINC001070552797 678868838 /nfs/dbraw/zinc/86/88/38/678868838.db2.gz KMGMAUIACQEZBL-CMPLNLGQSA-N 1 1 319.369 -1.343 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001070754905 678872609 /nfs/dbraw/zinc/87/26/09/678872609.db2.gz YPQKEORZZIHROP-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 ZINC001070968159 678879351 /nfs/dbraw/zinc/87/93/51/678879351.db2.gz RAKNKUCEOLAJPJ-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2nccn2)CC1 ZINC001070968159 678879352 /nfs/dbraw/zinc/87/93/52/678879352.db2.gz RAKNKUCEOLAJPJ-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993472 678880577 /nfs/dbraw/zinc/88/05/77/678880577.db2.gz BRCZLPNWAGSIRV-SNVBAGLBSA-N 1 1 302.350 -1.130 20 0 DAADMO C[C@@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993472 678880579 /nfs/dbraw/zinc/88/05/79/678880579.db2.gz BRCZLPNWAGSIRV-SNVBAGLBSA-N 1 1 302.350 -1.130 20 0 DAADMO CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001070993865 678880584 /nfs/dbraw/zinc/88/05/84/678880584.db2.gz RKNLKBDTSPAYGI-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001070993865 678880585 /nfs/dbraw/zinc/88/05/85/678880585.db2.gz RKNLKBDTSPAYGI-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C(=O)N1CCC(=O)NCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001070993609 678880591 /nfs/dbraw/zinc/88/05/91/678880591.db2.gz IRVVLNXNHAEPEW-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)C(=O)N1CCC(=O)NCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001070993609 678880594 /nfs/dbraw/zinc/88/05/94/678880594.db2.gz IRVVLNXNHAEPEW-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001070993591 678880663 /nfs/dbraw/zinc/88/06/63/678880663.db2.gz HXOOHNISUSBHMH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001070993591 678880665 /nfs/dbraw/zinc/88/06/65/678880665.db2.gz HXOOHNISUSBHMH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(=O)NCCN(CCO)CC2)C1 ZINC001071020486 678881672 /nfs/dbraw/zinc/88/16/72/678881672.db2.gz GIPHHYXAGWNXKR-CYBMUJFWSA-N 1 1 312.414 -1.419 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071169139 678883669 /nfs/dbraw/zinc/88/36/69/678883669.db2.gz MUJQEEAFWZDQPF-DGCLKSJQSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071134125 678883693 /nfs/dbraw/zinc/88/36/93/678883693.db2.gz NCMZPKLIEIHDHN-WCQYABFASA-N 1 1 310.358 -1.643 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001071146891 678883961 /nfs/dbraw/zinc/88/39/61/678883961.db2.gz LYJJHEANVCNPMM-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001071146891 678883963 /nfs/dbraw/zinc/88/39/63/678883963.db2.gz LYJJHEANVCNPMM-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071199222 678884704 /nfs/dbraw/zinc/88/47/04/678884704.db2.gz KNPVCYYRXGSBMN-FZMZJTMJSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206320 678885305 /nfs/dbraw/zinc/88/53/05/678885305.db2.gz IIHPUFKSNUFHAW-BMIGLBTASA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206320 678885309 /nfs/dbraw/zinc/88/53/09/678885309.db2.gz IIHPUFKSNUFHAW-BMIGLBTASA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206247 678885329 /nfs/dbraw/zinc/88/53/29/678885329.db2.gz GVCBHWLETMFJLD-XHDPSFHLSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206247 678885332 /nfs/dbraw/zinc/88/53/32/678885332.db2.gz GVCBHWLETMFJLD-XHDPSFHLSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071206336 678885427 /nfs/dbraw/zinc/88/54/27/678885427.db2.gz IOZLJYJFUYCLIZ-BXUZGUMPSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071206337 678885524 /nfs/dbraw/zinc/88/55/24/678885524.db2.gz IOZLJYJFUYCLIZ-FZMZJTMJSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071239171 678886619 /nfs/dbraw/zinc/88/66/19/678886619.db2.gz XKNWRGXDUTUYRX-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071340791 678887797 /nfs/dbraw/zinc/88/77/97/678887797.db2.gz UHYIFDJRWJMRCQ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071340791 678887801 /nfs/dbraw/zinc/88/78/01/678887801.db2.gz UHYIFDJRWJMRCQ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071341054 678887833 /nfs/dbraw/zinc/88/78/33/678887833.db2.gz XSXFMBRPMPOMQL-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071341054 678887838 /nfs/dbraw/zinc/88/78/38/678887838.db2.gz XSXFMBRPMPOMQL-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071518131 678890583 /nfs/dbraw/zinc/89/05/83/678890583.db2.gz MUIHGONJWAUTFK-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071552917 678891671 /nfs/dbraw/zinc/89/16/71/678891671.db2.gz GNBQFFXEJVDMCG-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071553556 678891678 /nfs/dbraw/zinc/89/16/78/678891678.db2.gz MSTGUUNRYCZLQR-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071553558 678891715 /nfs/dbraw/zinc/89/17/15/678891715.db2.gz MSTGUUNRYCZLQR-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071564678 678892110 /nfs/dbraw/zinc/89/21/10/678892110.db2.gz APCAXHXQOINLBJ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2=O)C[N@@H+]1CC(N)=O ZINC001071575236 678894009 /nfs/dbraw/zinc/89/40/09/678894009.db2.gz UEUBCHJDPBFXNJ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2=O)C[N@H+]1CC(N)=O ZINC001071575236 678894010 /nfs/dbraw/zinc/89/40/10/678894010.db2.gz UEUBCHJDPBFXNJ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071623631 678895358 /nfs/dbraw/zinc/89/53/58/678895358.db2.gz AODOPSYMGLLUQE-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071623631 678895360 /nfs/dbraw/zinc/89/53/60/678895360.db2.gz AODOPSYMGLLUQE-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071623632 678895408 /nfs/dbraw/zinc/89/54/08/678895408.db2.gz AODOPSYMGLLUQE-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071623632 678895410 /nfs/dbraw/zinc/89/54/10/678895410.db2.gz AODOPSYMGLLUQE-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCCNC2=O)C[N@@H+]1CC(N)=O ZINC001071642793 678895955 /nfs/dbraw/zinc/89/59/55/678895955.db2.gz XAEBYSLSRLTLNM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCCNC2=O)C[N@H+]1CC(N)=O ZINC001071642793 678895956 /nfs/dbraw/zinc/89/59/56/678895956.db2.gz XAEBYSLSRLTLNM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001071626821 678896039 /nfs/dbraw/zinc/89/60/39/678896039.db2.gz ZFUVBLHERDPXOB-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001071626821 678896041 /nfs/dbraw/zinc/89/60/41/678896041.db2.gz ZFUVBLHERDPXOB-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071788769 678897556 /nfs/dbraw/zinc/89/75/56/678897556.db2.gz JYMOVDKQMPRLQY-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC001071788769 678897558 /nfs/dbraw/zinc/89/75/58/678897558.db2.gz JYMOVDKQMPRLQY-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CCCO ZINC001071738237 678897568 /nfs/dbraw/zinc/89/75/68/678897568.db2.gz BCYCFLABFYELRL-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071862727 678899800 /nfs/dbraw/zinc/89/98/00/678899800.db2.gz YYCGNAQSDLXWLH-WDEREUQCSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@@H+]1CC(N)=O ZINC001072054525 678904439 /nfs/dbraw/zinc/90/44/39/678904439.db2.gz FGWMOPRIJQXOBR-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CC(N)=O ZINC001072054525 678904441 /nfs/dbraw/zinc/90/44/41/678904441.db2.gz FGWMOPRIJQXOBR-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@H](C)[N@H+](CCO)C2)c(=O)n1C ZINC001072033144 678904536 /nfs/dbraw/zinc/90/45/36/678904536.db2.gz KIIQLPIRKOWTPI-JQWIXIFHSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CCO)C2)c(=O)n1C ZINC001072033143 678904776 /nfs/dbraw/zinc/90/47/76/678904776.db2.gz KIIQLPIRKOWTPI-CMPLNLGQSA-N 1 1 311.386 -1.148 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058880 678905050 /nfs/dbraw/zinc/90/50/50/678905050.db2.gz UKKWCFXUAMCKHD-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058880 678905053 /nfs/dbraw/zinc/90/50/53/678905053.db2.gz UKKWCFXUAMCKHD-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CCCO ZINC001072055623 678905168 /nfs/dbraw/zinc/90/51/68/678905168.db2.gz WUTGMEBQSVEEFK-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1)C(N)=O ZINC001200206846 782193530 /nfs/dbraw/zinc/19/35/30/782193530.db2.gz NOHFJGAXDHASGJ-MNOVXSKESA-N 1 1 324.385 -1.182 20 0 DAADMO CCNC(=O)CC(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001200187913 782193641 /nfs/dbraw/zinc/19/36/41/782193641.db2.gz YXJVNFNOZBYSBG-UHFFFAOYSA-N 1 1 309.374 -1.183 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001200342901 782196208 /nfs/dbraw/zinc/19/62/08/782196208.db2.gz BOCDHTPHRIEYBX-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001200344456 782196954 /nfs/dbraw/zinc/19/69/54/782196954.db2.gz UCMRVDNKGUITNZ-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001200353153 782197764 /nfs/dbraw/zinc/19/77/64/782197764.db2.gz ZFRBJDJKUXNRHP-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO CN1C[C@@]2(F)CN(CC(=O)N3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001273835775 782199889 /nfs/dbraw/zinc/19/98/89/782199889.db2.gz JOXLLCDFMNWKOV-ZIAGYGMSSA-N 1 1 316.352 -1.035 20 0 DAADMO O=C(C[N@@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2)NC1CC1 ZINC001273836719 782200916 /nfs/dbraw/zinc/20/09/16/782200916.db2.gz VQROMMXGRDCBIB-OAHLLOKOSA-N 1 1 309.366 -1.033 20 0 DAADMO O=C(C[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2)NC1CC1 ZINC001273836719 782200924 /nfs/dbraw/zinc/20/09/24/782200924.db2.gz VQROMMXGRDCBIB-OAHLLOKOSA-N 1 1 309.366 -1.033 20 0 DAADMO CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111567233 782205905 /nfs/dbraw/zinc/20/59/05/782205905.db2.gz VLZFNSJKHCUUIB-HUBLWGQQSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)CNC(=O)C2CC2)nc1=O ZINC001273870645 782210737 /nfs/dbraw/zinc/21/07/37/782210737.db2.gz NGJJNWQUEVZPEY-NSCUHMNNSA-N 1 1 322.369 -1.603 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201119996 782212096 /nfs/dbraw/zinc/21/20/96/782212096.db2.gz KKUHWQSWLMAIBR-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1ncc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001201306577 782215157 /nfs/dbraw/zinc/21/51/57/782215157.db2.gz UPVAAVKIQTUWNH-RWMBFGLXSA-N 1 1 301.354 -1.294 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCCC1 ZINC001114314947 782216751 /nfs/dbraw/zinc/21/67/51/782216751.db2.gz XWKUDAJNWHMUJL-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCCC1 ZINC001114314947 782216758 /nfs/dbraw/zinc/21/67/58/782216758.db2.gz XWKUDAJNWHMUJL-YABSGUDNSA-N 1 1 308.382 -1.176 20 0 DAADMO CN1CC(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)=NC1=O ZINC001201316749 782216899 /nfs/dbraw/zinc/21/68/99/782216899.db2.gz DXDIXPPJDVGQOO-SECBINFHSA-N 1 1 311.342 -1.568 20 0 DAADMO COc1cncc(C[NH2+][C@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 ZINC001273910985 782223348 /nfs/dbraw/zinc/22/33/48/782223348.db2.gz LYGVLWSNUINNQY-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110571273 782223676 /nfs/dbraw/zinc/22/36/76/782223676.db2.gz ALAMIRUVEWZSJG-UTUOFQBUSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110571273 782223681 /nfs/dbraw/zinc/22/36/81/782223681.db2.gz ALAMIRUVEWZSJG-UTUOFQBUSA-N 1 1 321.385 -1.081 20 0 DAADMO CN1CC(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)=NC1=O ZINC001202323944 782233351 /nfs/dbraw/zinc/23/33/51/782233351.db2.gz ROXBGKINVUENNH-UHFFFAOYSA-N 1 1 324.341 -1.485 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001202414785 782233828 /nfs/dbraw/zinc/23/38/28/782233828.db2.gz KCSZPAMNZYIGQO-NSHDSACASA-N 1 1 312.374 -1.048 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC ZINC001110630734 782234458 /nfs/dbraw/zinc/23/44/58/782234458.db2.gz RHJUFKSNJSTDMX-KKOKHZNYSA-N 1 1 314.386 -1.356 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001110630397 782234546 /nfs/dbraw/zinc/23/45/46/782234546.db2.gz AIIJPBDJJDXZHS-MXWKQRLJSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001110630397 782234555 /nfs/dbraw/zinc/23/45/55/782234555.db2.gz AIIJPBDJJDXZHS-MXWKQRLJSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001110630510 782235434 /nfs/dbraw/zinc/23/54/34/782235434.db2.gz GYCYVIHKEXKKET-CHWFTXMASA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001110630510 782235440 /nfs/dbraw/zinc/23/54/40/782235440.db2.gz GYCYVIHKEXKKET-CHWFTXMASA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001110630708 782235503 /nfs/dbraw/zinc/23/55/03/782235503.db2.gz QOXAFNRXRDCUGC-WYUUTHIRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001110630708 782235508 /nfs/dbraw/zinc/23/55/08/782235508.db2.gz QOXAFNRXRDCUGC-WYUUTHIRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001110631734 782236154 /nfs/dbraw/zinc/23/61/54/782236154.db2.gz LFPHOSHHGVTICP-UTUOFQBUSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115188941 782236243 /nfs/dbraw/zinc/23/62/43/782236243.db2.gz UMEWZTNZZHDMHZ-IAZYJMLFSA-N 1 1 305.400 -1.693 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001114378731 782244491 /nfs/dbraw/zinc/24/44/91/782244491.db2.gz ORKLYQYTBWGDRP-YABSGUDNSA-N 1 1 323.397 -1.416 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115218564 782238142 /nfs/dbraw/zinc/23/81/42/782238142.db2.gz GGPDEOISDJDKBS-MTBHXBHISA-N 1 1 312.330 -2.714 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115218564 782238150 /nfs/dbraw/zinc/23/81/50/782238150.db2.gz GGPDEOISDJDKBS-MTBHXBHISA-N 1 1 312.330 -2.714 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114319497 782239617 /nfs/dbraw/zinc/23/96/17/782239617.db2.gz NCYHDJKNBYNGBH-MVVXRAEJSA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114319497 782239627 /nfs/dbraw/zinc/23/96/27/782239627.db2.gz NCYHDJKNBYNGBH-MVVXRAEJSA-N 1 1 320.349 -1.070 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114317219 782239886 /nfs/dbraw/zinc/23/98/86/782239886.db2.gz UEEQQFAQFPFCRK-YABSGUDNSA-N 1 1 320.349 -1.198 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114317219 782239896 /nfs/dbraw/zinc/23/98/96/782239896.db2.gz UEEQQFAQFPFCRK-YABSGUDNSA-N 1 1 320.349 -1.198 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)COC ZINC001114317053 782240699 /nfs/dbraw/zinc/24/06/99/782240699.db2.gz QJHSSIMRVICEHN-QISWUMQESA-N 1 1 312.370 -2.070 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)COC ZINC001114317053 782240702 /nfs/dbraw/zinc/24/07/02/782240702.db2.gz QJHSSIMRVICEHN-QISWUMQESA-N 1 1 312.370 -2.070 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336442 782241034 /nfs/dbraw/zinc/24/10/34/782241034.db2.gz PEIBSKDPAOYKLK-YABSGUDNSA-N 1 1 306.370 -1.151 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336442 782241041 /nfs/dbraw/zinc/24/10/41/782241041.db2.gz PEIBSKDPAOYKLK-YABSGUDNSA-N 1 1 306.370 -1.151 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114335781 782241069 /nfs/dbraw/zinc/24/10/69/782241069.db2.gz BHJDWSRHCIJYNJ-WYOJIJJFSA-N 1 1 321.341 -2.092 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114335781 782241078 /nfs/dbraw/zinc/24/10/78/782241078.db2.gz BHJDWSRHCIJYNJ-WYOJIJJFSA-N 1 1 321.341 -2.092 20 0 DAADMO CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114403450 782245140 /nfs/dbraw/zinc/24/51/40/782245140.db2.gz SGZMOYYVDARKFV-RQJABVFESA-N 1 1 307.398 -1.148 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114366629 782241368 /nfs/dbraw/zinc/24/13/68/782241368.db2.gz WGDBOCWZPLOMLE-DEKYYXRVSA-N 1 1 324.381 -1.974 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001114397823 782244976 /nfs/dbraw/zinc/24/49/76/782244976.db2.gz SNZJBHSHAFGTDI-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001114397823 782244982 /nfs/dbraw/zinc/24/49/82/782244982.db2.gz SNZJBHSHAFGTDI-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114364454 782241492 /nfs/dbraw/zinc/24/14/92/782241492.db2.gz YJTASLBKRGZQLS-SVDPJWKOSA-N 1 1 305.400 -1.647 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363751 782241536 /nfs/dbraw/zinc/24/15/36/782241536.db2.gz JXQCAPXQIGUNTC-IAZYJMLFSA-N 1 1 305.400 -1.429 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114364229 782241562 /nfs/dbraw/zinc/24/15/62/782241562.db2.gz SQVLSBILWKZCQY-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114364229 782241567 /nfs/dbraw/zinc/24/15/67/782241567.db2.gz SQVLSBILWKZCQY-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114364264 782241582 /nfs/dbraw/zinc/24/15/82/782241582.db2.gz UJEMFPAEUDXQNW-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114364238 782241874 /nfs/dbraw/zinc/24/18/74/782241874.db2.gz SUQSSHSYDJYRAK-JYAVWHMHSA-N 1 1 322.409 -1.011 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114366314 782241973 /nfs/dbraw/zinc/24/19/73/782241973.db2.gz PDXPMUPMJVABFE-QISWUMQESA-N 1 1 312.370 -1.989 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114366314 782241980 /nfs/dbraw/zinc/24/19/80/782241980.db2.gz PDXPMUPMJVABFE-QISWUMQESA-N 1 1 312.370 -1.989 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114366628 782241991 /nfs/dbraw/zinc/24/19/91/782241991.db2.gz WGDBOCWZPLOMLE-BBGACYKPSA-N 1 1 324.381 -1.974 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114363340 782242238 /nfs/dbraw/zinc/24/22/38/782242238.db2.gz BUWNXYGUAVJGCQ-GOONRYMUSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114363340 782242250 /nfs/dbraw/zinc/24/22/50/782242250.db2.gz BUWNXYGUAVJGCQ-GOONRYMUSA-N 1 1 308.382 -1.225 20 0 DAADMO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C(=O)C1CC1 ZINC001114364340 782242274 /nfs/dbraw/zinc/24/22/74/782242274.db2.gz WLJIMSHIGLMWIK-CZXHOFHRSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114376576 782243114 /nfs/dbraw/zinc/24/31/14/782243114.db2.gz OBCGEYHUXDRLEA-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114376336 782243170 /nfs/dbraw/zinc/24/31/70/782243170.db2.gz KEQPYLCDPYAATM-IAZYJMLFSA-N 1 1 300.359 -2.029 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114374031 782243234 /nfs/dbraw/zinc/24/32/34/782243234.db2.gz MFGBPPXPYAJMOG-IWIIMEHWSA-N 1 1 311.386 -1.512 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114374031 782243245 /nfs/dbraw/zinc/24/32/45/782243245.db2.gz MFGBPPXPYAJMOG-IWIIMEHWSA-N 1 1 311.386 -1.512 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114374011 782243260 /nfs/dbraw/zinc/24/32/60/782243260.db2.gz LWSYJQUTNXEULF-KLBPJQLPSA-N 1 1 309.370 -1.760 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115249668 782245705 /nfs/dbraw/zinc/24/57/05/782245705.db2.gz JYERYTBAKFNEOT-QCBRBAQYSA-N 1 1 316.383 -2.530 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001114420780 782246602 /nfs/dbraw/zinc/24/66/02/782246602.db2.gz IWATXUUJGYUHNW-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC001114421987 782246994 /nfs/dbraw/zinc/24/69/94/782246994.db2.gz VBBADALWBUGROC-BJUWDHJGSA-N 1 1 311.382 -1.027 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC001114421987 782247000 /nfs/dbraw/zinc/24/70/00/782247000.db2.gz VBBADALWBUGROC-BJUWDHJGSA-N 1 1 311.382 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001114422185 782247347 /nfs/dbraw/zinc/24/73/47/782247347.db2.gz WEOFEHXBJKKOGP-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001114422185 782247355 /nfs/dbraw/zinc/24/73/55/782247355.db2.gz WEOFEHXBJKKOGP-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC001114436325 782248234 /nfs/dbraw/zinc/24/82/34/782248234.db2.gz FMVNMGOMFMKRKD-MEWQQHAOSA-N 1 1 308.338 -1.151 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001114437355 782249271 /nfs/dbraw/zinc/24/92/71/782249271.db2.gz YXLSVDQNZAJHCG-PJXYFTJBSA-N 1 1 308.338 -1.149 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447041 782248858 /nfs/dbraw/zinc/24/88/58/782248858.db2.gz FBAUYPQZDCMMAW-OHBODLIOSA-N 1 1 308.338 -1.151 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1 ZINC001114447590 782248935 /nfs/dbraw/zinc/24/89/35/782248935.db2.gz QVLSUFQUYAIRDX-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1 ZINC001114447590 782248941 /nfs/dbraw/zinc/24/89/41/782248941.db2.gz QVLSUFQUYAIRDX-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447042 782249563 /nfs/dbraw/zinc/24/95/63/782249563.db2.gz FBAUYPQZDCMMAW-YJQGPUDQSA-N 1 1 308.338 -1.151 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)S(C)(=O)=O ZINC001114473684 782250305 /nfs/dbraw/zinc/25/03/05/782250305.db2.gz FJVBYQXIEZYUPR-WYUUTHIRSA-N 1 1 320.411 -1.525 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)S(C)(=O)=O ZINC001114473684 782250316 /nfs/dbraw/zinc/25/03/16/782250316.db2.gz FJVBYQXIEZYUPR-WYUUTHIRSA-N 1 1 320.411 -1.525 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114479884 782251432 /nfs/dbraw/zinc/25/14/32/782251432.db2.gz CARSPAAMWYSGJM-JYAVWHMHSA-N 1 1 308.382 -1.305 20 0 DAADMO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CCOC ZINC001114480317 782251478 /nfs/dbraw/zinc/25/14/78/782251478.db2.gz LKTQKIUSVUWONR-PJXYFTJBSA-N 1 1 320.411 -1.260 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CCOC ZINC001114480317 782251485 /nfs/dbraw/zinc/25/14/85/782251485.db2.gz LKTQKIUSVUWONR-PJXYFTJBSA-N 1 1 320.411 -1.260 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114480452 782251501 /nfs/dbraw/zinc/25/15/01/782251501.db2.gz OHHUQGRCUGNQGF-IWIIMEHWSA-N 1 1 300.334 -1.745 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114480452 782251506 /nfs/dbraw/zinc/25/15/06/782251506.db2.gz OHHUQGRCUGNQGF-IWIIMEHWSA-N 1 1 300.334 -1.745 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O ZINC001114478372 782251529 /nfs/dbraw/zinc/25/15/29/782251529.db2.gz UPSDBGPMMVOSDC-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O ZINC001114478372 782251533 /nfs/dbraw/zinc/25/15/33/782251533.db2.gz UPSDBGPMMVOSDC-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC001114488848 782252601 /nfs/dbraw/zinc/25/26/01/782252601.db2.gz UICGQPVYMNEKIV-VIKVFOODSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095338062 782258297 /nfs/dbraw/zinc/25/82/97/782258297.db2.gz GXWPJOVEGWTJEZ-RCWTZXSCSA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095338062 782258308 /nfs/dbraw/zinc/25/83/08/782258308.db2.gz GXWPJOVEGWTJEZ-RCWTZXSCSA-N 1 1 320.353 -1.406 20 0 DAADMO COc1nccc(C[NH2+]C/C=C\CNC(=O)Cn2ncnn2)n1 ZINC001274024509 782259969 /nfs/dbraw/zinc/25/99/69/782259969.db2.gz ILZAJSDXHQEFDA-IHWYPQMZSA-N 1 1 318.341 -1.066 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099946994 782255542 /nfs/dbraw/zinc/25/55/42/782255542.db2.gz OSWXSUVOJTWUER-ZJUUUORDSA-N 1 1 314.346 -2.616 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095329569 782256127 /nfs/dbraw/zinc/25/61/27/782256127.db2.gz RPZSPDFIRQHYOU-ZOBORPQBSA-N 1 1 322.409 -1.071 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095329569 782256131 /nfs/dbraw/zinc/25/61/31/782256131.db2.gz RPZSPDFIRQHYOU-ZOBORPQBSA-N 1 1 322.409 -1.071 20 0 DAADMO COCCOCN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274054282 782260663 /nfs/dbraw/zinc/26/06/63/782260663.db2.gz LPNZUBUTWICFDH-AWEZNQCLSA-N 1 1 313.354 -1.067 20 0 DAADMO COC[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062141 782261413 /nfs/dbraw/zinc/26/14/13/782261413.db2.gz MOXGPQFEDZVCLY-IINYFYTJSA-N 1 1 313.354 -1.416 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274060712 782263632 /nfs/dbraw/zinc/26/36/32/782263632.db2.gz AOPHJIKLNCPNCP-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072896 782263875 /nfs/dbraw/zinc/26/38/75/782263875.db2.gz IJIVJNGWHLEFEA-ABAIWWIYSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072896 782263885 /nfs/dbraw/zinc/26/38/85/782263885.db2.gz IJIVJNGWHLEFEA-ABAIWWIYSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cnnc1CN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061809 782263969 /nfs/dbraw/zinc/26/39/69/782263969.db2.gz MZIORATVXWVDJI-AWEZNQCLSA-N 1 1 320.353 -1.359 20 0 DAADMO NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC001274061687 782264211 /nfs/dbraw/zinc/26/42/11/782264211.db2.gz LJNWBTRDMCLFTI-WDEREUQCSA-N 1 1 308.382 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072898 782264257 /nfs/dbraw/zinc/26/42/57/782264257.db2.gz IJIVJNGWHLEFEA-IAQYHMDHSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072898 782264261 /nfs/dbraw/zinc/26/42/61/782264261.db2.gz IJIVJNGWHLEFEA-IAQYHMDHSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C/CNC(=O)c1cc(=O)n(C)cn1 ZINC001274097746 782265058 /nfs/dbraw/zinc/26/50/58/782265058.db2.gz WIFCQWDXPJYIQS-ONEGZZNKSA-N 1 1 317.353 -1.015 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCOC[C@H]2C(N)=O ZINC001274233948 782270119 /nfs/dbraw/zinc/27/01/19/782270119.db2.gz USZMHBJQTHRPLG-RYUDHWBXSA-N 1 1 310.398 -1.417 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110860701 782269187 /nfs/dbraw/zinc/26/91/87/782269187.db2.gz AVFXBIKLRGGRIE-BBBLOLIVSA-N 1 1 308.379 -1.269 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110860701 782269193 /nfs/dbraw/zinc/26/91/93/782269193.db2.gz AVFXBIKLRGGRIE-BBBLOLIVSA-N 1 1 308.379 -1.269 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001099949937 782269664 /nfs/dbraw/zinc/26/96/64/782269664.db2.gz WMYSWIJPKNHLRN-ITGHMWBKSA-N 1 1 314.382 -1.561 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001274233052 782270407 /nfs/dbraw/zinc/27/04/07/782270407.db2.gz KKKPJWMCVQWDGL-QWHCGFSZSA-N 1 1 320.397 -1.112 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](C(N)=O)n2nccc2C1 ZINC001274233050 782270949 /nfs/dbraw/zinc/27/09/49/782270949.db2.gz KKKPJWMCVQWDGL-CHWSQXEVSA-N 1 1 320.397 -1.112 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCOC[C@@H]2C(N)=O ZINC001274233949 782271121 /nfs/dbraw/zinc/27/11/21/782271121.db2.gz USZMHBJQTHRPLG-VXGBXAGGSA-N 1 1 310.398 -1.417 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCc2onc(C(N)=O)c2C1 ZINC001274233432 782271432 /nfs/dbraw/zinc/27/14/32/782271432.db2.gz OIFHNPCSIPZVEE-JTQLQIEISA-N 1 1 307.354 -1.096 20 0 DAADMO C[NH+]1CCN(C(=O)N2CC3(C2)CN(C2COC2)C(=O)CO3)CC1 ZINC001274251084 782272007 /nfs/dbraw/zinc/27/20/07/782272007.db2.gz OMQGBNXKFMLONE-UHFFFAOYSA-N 1 1 324.381 -1.334 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001274262624 782272220 /nfs/dbraw/zinc/27/22/20/782272220.db2.gz FFGHAQVWXNDVIN-NSCUHMNNSA-N 1 1 321.385 -1.693 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C/CNC(=O)c1c[nH]c(=O)cn1 ZINC001274318849 782274204 /nfs/dbraw/zinc/27/42/04/782274204.db2.gz UCUWDMZXKZLMDK-NSCUHMNNSA-N 1 1 303.326 -1.026 20 0 DAADMO COc1cncc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001274326465 782274244 /nfs/dbraw/zinc/27/42/44/782274244.db2.gz XEJNHRPTWFIEDS-VUDBWIFFSA-N 1 1 320.353 -1.071 20 0 DAADMO COc1cncc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001274326463 782274388 /nfs/dbraw/zinc/27/43/88/782274388.db2.gz XEJNHRPTWFIEDS-OTDNITJGSA-N 1 1 320.353 -1.071 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)CN2C(=O)CNC2=O)nn1 ZINC001274559784 782281569 /nfs/dbraw/zinc/28/15/69/782281569.db2.gz NYLSQSMIZHECLA-NSCUHMNNSA-N 1 1 321.341 -1.871 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)CN2C(=O)CNC2=O)nn1 ZINC001274559783 782281837 /nfs/dbraw/zinc/28/18/37/782281837.db2.gz NYLSQSMIZHECLA-IHWYPQMZSA-N 1 1 321.341 -1.871 20 0 DAADMO CN1C[C@@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)OCC1=O ZINC001274541342 782282436 /nfs/dbraw/zinc/28/24/36/782282436.db2.gz NMNFKEXZQGPRQK-DZGCQCFKSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C1CO[C@]2(CC[N@H+](C[C@H](O)CO)C2)CN1Cc1cnoc1 ZINC001274566108 782282778 /nfs/dbraw/zinc/28/27/78/782282778.db2.gz VPCAFLCATDXWDW-JSGCOSHPSA-N 1 1 311.338 -1.169 20 0 DAADMO COC(CN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O)OC ZINC001274565605 782282944 /nfs/dbraw/zinc/28/29/44/782282944.db2.gz KPIILJQCBRUZOD-SMDDNHRTSA-N 1 1 302.371 -1.117 20 0 DAADMO COC(CN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O)OC ZINC001274565604 782283184 /nfs/dbraw/zinc/28/31/84/782283184.db2.gz KPIILJQCBRUZOD-FZMZJTMJSA-N 1 1 302.371 -1.117 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563813 782283310 /nfs/dbraw/zinc/28/33/10/782283310.db2.gz CAYDSZUEYFLSIW-MISXGVKJSA-N 1 1 315.370 -2.093 20 0 DAADMO O=C1CO[C@]2(CC[N@H+](C[C@H](O)CO)C2)CN1CCn1ccnc1 ZINC001274566415 782284138 /nfs/dbraw/zinc/28/41/38/782284138.db2.gz ZKEBAYXZXKBSIC-ZFWWWQNUSA-N 1 1 324.381 -1.460 20 0 DAADMO O=C1CC[C@@H](CN2CC[C@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)N1 ZINC001274569734 782284877 /nfs/dbraw/zinc/28/48/77/782284877.db2.gz LDMKJAJAKRHSKN-SLEUVZQESA-N 1 1 311.382 -1.315 20 0 DAADMO CCOC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001274568714 782285032 /nfs/dbraw/zinc/28/50/32/782285032.db2.gz XQHGWDXUQWXJRI-GFCCVEGCSA-N 1 1 300.355 -1.304 20 0 DAADMO CN(C)C(=O)CCN1CC[C@@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274570123 782285314 /nfs/dbraw/zinc/28/53/14/782285314.db2.gz WKBVBKPPHWSOCK-WFASDCNBSA-N 1 1 313.398 -1.115 20 0 DAADMO CN(C)C(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CO ZINC001274569894 782285415 /nfs/dbraw/zinc/28/54/15/782285415.db2.gz PLJJWPPDDUXUMA-YNEHKIRRSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCOCCO ZINC001274633052 782286361 /nfs/dbraw/zinc/28/63/61/782286361.db2.gz DOXOMXGVFRQWAJ-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274605086 782287103 /nfs/dbraw/zinc/28/71/03/782287103.db2.gz GUIWXIDNCKDRJI-SMDDNHRTSA-N 1 1 314.338 -1.778 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274605083 782287320 /nfs/dbraw/zinc/28/73/20/782287320.db2.gz GUIWXIDNCKDRJI-BXUZGUMPSA-N 1 1 314.338 -1.778 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274698413 782290893 /nfs/dbraw/zinc/29/08/93/782290893.db2.gz SZDDMLCYODNUTK-UWVGGRQHSA-N 1 1 307.354 -1.048 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274698413 782290898 /nfs/dbraw/zinc/29/08/98/782290898.db2.gz SZDDMLCYODNUTK-UWVGGRQHSA-N 1 1 307.354 -1.048 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC2(C[C@H]2C(=O)NCC2COC2)C1 ZINC001274696784 782290932 /nfs/dbraw/zinc/29/09/32/782290932.db2.gz CPFXIQOVXWXRCL-STQMWFEESA-N 1 1 323.393 -1.336 20 0 DAADMO NC(=O)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)Cc2ccnn21 ZINC001274697504 782291185 /nfs/dbraw/zinc/29/11/85/782291185.db2.gz KUWKXOFWVWJSJF-RYUDHWBXSA-N 1 1 307.354 -1.292 20 0 DAADMO NC(=O)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)Cc2ccnn21 ZINC001274697504 782291192 /nfs/dbraw/zinc/29/11/92/782291192.db2.gz KUWKXOFWVWJSJF-RYUDHWBXSA-N 1 1 307.354 -1.292 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]12 ZINC001274698091 782291462 /nfs/dbraw/zinc/29/14/62/782291462.db2.gz OSPUGTJXZMELLH-OUAUKWLOSA-N 1 1 310.354 -1.646 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]12 ZINC001274698091 782291467 /nfs/dbraw/zinc/29/14/67/782291467.db2.gz OSPUGTJXZMELLH-OUAUKWLOSA-N 1 1 310.354 -1.646 20 0 DAADMO NC(=O)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)Cc2ccnn21 ZINC001274697500 782291521 /nfs/dbraw/zinc/29/15/21/782291521.db2.gz KUWKXOFWVWJSJF-NEPJUHHUSA-N 1 1 307.354 -1.292 20 0 DAADMO NC(=O)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)Cc2ccnn21 ZINC001274697500 782291525 /nfs/dbraw/zinc/29/15/25/782291525.db2.gz KUWKXOFWVWJSJF-NEPJUHHUSA-N 1 1 307.354 -1.292 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274698412 782291629 /nfs/dbraw/zinc/29/16/29/782291629.db2.gz SZDDMLCYODNUTK-NXEZZACHSA-N 1 1 307.354 -1.048 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274698412 782291631 /nfs/dbraw/zinc/29/16/31/782291631.db2.gz SZDDMLCYODNUTK-NXEZZACHSA-N 1 1 307.354 -1.048 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2C(N)=O)c1 ZINC001274697314 782291660 /nfs/dbraw/zinc/29/16/60/782291660.db2.gz JCRHYSBAISKFPS-QJPTWQEYSA-N 1 1 321.381 -1.486 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001274698205 782291716 /nfs/dbraw/zinc/29/17/16/782291716.db2.gz QLLOFQYFQUENEQ-UWVGGRQHSA-N 1 1 321.337 -1.077 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC2(C[C@H]2C(=O)Nc2nnco2)C1 ZINC001274698207 782291893 /nfs/dbraw/zinc/29/18/93/782291893.db2.gz QLLOFQYFQUENEQ-ZJUUUORDSA-N 1 1 321.337 -1.077 20 0 DAADMO C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001274906878 782297998 /nfs/dbraw/zinc/29/79/98/782297998.db2.gz RQWRBPVCOYNYGR-SECBINFHSA-N 1 1 310.358 -1.141 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)C(N)=O)CC1 ZINC001274955384 782300252 /nfs/dbraw/zinc/30/02/52/782300252.db2.gz JUFFRMKWGBDVSZ-UHFFFAOYSA-N 1 1 313.358 -1.773 20 0 DAADMO C[N@H+]1CCCC2(CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001275044041 782300625 /nfs/dbraw/zinc/30/06/25/782300625.db2.gz KDASMXJCPRBNQO-YHMTXAQFSA-N 1 1 316.354 -2.660 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275012501 782301495 /nfs/dbraw/zinc/30/14/95/782301495.db2.gz DMQOFQIOLOBMHQ-SECBINFHSA-N 1 1 323.357 -1.556 20 0 DAADMO C[N@H+]1CCCC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001275044040 782301912 /nfs/dbraw/zinc/30/19/12/782301912.db2.gz KDASMXJCPRBNQO-FTEPDLOASA-N 1 1 316.354 -2.660 20 0 DAADMO CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275079738 782303115 /nfs/dbraw/zinc/30/31/15/782303115.db2.gz UIDKYOXHFUCYLN-UIRMDGSSSA-N 1 1 316.354 -2.519 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275185946 782304276 /nfs/dbraw/zinc/30/42/76/782304276.db2.gz FTBRJEYYBKCXQP-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H](C1)O2 ZINC001275185946 782304283 /nfs/dbraw/zinc/30/42/83/782304283.db2.gz FTBRJEYYBKCXQP-UPJWGTAASA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001275186739 782305096 /nfs/dbraw/zinc/30/50/96/782305096.db2.gz LXMJQUSIYOCWDS-XQQFMLRXSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001275186739 782305104 /nfs/dbraw/zinc/30/51/04/782305104.db2.gz LXMJQUSIYOCWDS-XQQFMLRXSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001274907318 782298753 /nfs/dbraw/zinc/29/87/53/782298753.db2.gz VCCVICAIBIKCPU-MRVPVSSYSA-N 1 1 319.387 -1.617 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)C2CC(=O)NC(=O)C2)nn1 ZINC001275368922 782308372 /nfs/dbraw/zinc/30/83/72/782308372.db2.gz IEDKOWBNMGTZCP-VIFPVBQESA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CCc1c[nH]nn1 ZINC001275309976 782309156 /nfs/dbraw/zinc/30/91/56/782309156.db2.gz UCKDNYAGCYUALF-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)CCc1cnn[nH]1 ZINC001275309976 782309165 /nfs/dbraw/zinc/30/91/65/782309165.db2.gz UCKDNYAGCYUALF-VIFPVBQESA-N 1 1 303.388 -1.124 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](C)C[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275615904 782314726 /nfs/dbraw/zinc/31/47/26/782314726.db2.gz UCSVLOHFRJUQSW-QMMMGPOBSA-N 1 1 323.357 -1.285 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001275639219 782315140 /nfs/dbraw/zinc/31/51/40/782315140.db2.gz UBFATSZSTGSKDC-VIFPVBQESA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001275639219 782315150 /nfs/dbraw/zinc/31/51/50/782315150.db2.gz UBFATSZSTGSKDC-VIFPVBQESA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](O)COC)CC1 ZINC001275673134 782315403 /nfs/dbraw/zinc/31/54/03/782315403.db2.gz QELVNAJZNGZEFL-QWRGUYRKSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1cn[nH]n1 ZINC001275659072 782315774 /nfs/dbraw/zinc/31/57/74/782315774.db2.gz LHFNVPWXZBQAIM-GXSJLCMTSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659072 782315784 /nfs/dbraw/zinc/31/57/84/782315784.db2.gz LHFNVPWXZBQAIM-GXSJLCMTSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659072 782315793 /nfs/dbraw/zinc/31/57/93/782315793.db2.gz LHFNVPWXZBQAIM-GXSJLCMTSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CN1C(=O)CCC1=O ZINC001275712154 782316435 /nfs/dbraw/zinc/31/64/35/782316435.db2.gz FHVMUCITLBQTSV-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CN1C(=O)CCC1=O ZINC001275712154 782316445 /nfs/dbraw/zinc/31/64/45/782316445.db2.gz FHVMUCITLBQTSV-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001275712082 782316990 /nfs/dbraw/zinc/31/69/90/782316990.db2.gz DRWRFXNCYOTIGB-NXEZZACHSA-N 1 1 312.370 -1.164 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001275712087 782317084 /nfs/dbraw/zinc/31/70/84/782317084.db2.gz DRWRFXNCYOTIGB-ZJUUUORDSA-N 1 1 312.370 -1.164 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275774630 782317684 /nfs/dbraw/zinc/31/76/84/782317684.db2.gz SDMPDAHVWGFLMK-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001275828111 782319130 /nfs/dbraw/zinc/31/91/30/782319130.db2.gz SJANWIYWGSMSEQ-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828111 782319150 /nfs/dbraw/zinc/31/91/50/782319150.db2.gz SJANWIYWGSMSEQ-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828111 782319160 /nfs/dbraw/zinc/31/91/60/782319160.db2.gz SJANWIYWGSMSEQ-WPRPVWTQSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001275828110 782319703 /nfs/dbraw/zinc/31/97/03/782319703.db2.gz SJANWIYWGSMSEQ-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[N@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828110 782319714 /nfs/dbraw/zinc/31/97/14/782319714.db2.gz SJANWIYWGSMSEQ-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828110 782319719 /nfs/dbraw/zinc/31/97/19/782319719.db2.gz SJANWIYWGSMSEQ-WCBMZHEXSA-N 1 1 322.369 -1.103 20 0 DAADMO CN(CCCNCc1nnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275929976 782322771 /nfs/dbraw/zinc/32/27/71/782322771.db2.gz LAFNXWCYCZLANL-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CN(CCCNCc1nnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275929976 782322776 /nfs/dbraw/zinc/32/27/76/782322776.db2.gz LAFNXWCYCZLANL-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)CCOCCO ZINC001276011526 782326646 /nfs/dbraw/zinc/32/66/46/782326646.db2.gz MPXVAZDCUOKPMI-LLVKDONJSA-N 1 1 314.386 -1.217 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421080 782328976 /nfs/dbraw/zinc/32/89/76/782328976.db2.gz KCYSKXXBNBRVSW-YTWAJWBKSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421080 782328983 /nfs/dbraw/zinc/32/89/83/782328983.db2.gz KCYSKXXBNBRVSW-YTWAJWBKSA-N 1 1 307.358 -1.342 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095420926 782330104 /nfs/dbraw/zinc/33/01/04/782330104.db2.gz CIPQLPMDYORBTJ-VPOLOUISSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095420926 782330107 /nfs/dbraw/zinc/33/01/07/782330107.db2.gz CIPQLPMDYORBTJ-VPOLOUISSA-N 1 1 305.342 -1.717 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001275954346 782325572 /nfs/dbraw/zinc/32/55/72/782325572.db2.gz BGHTULFJHYVSCJ-VIFPVBQESA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001275954346 782325582 /nfs/dbraw/zinc/32/55/82/782325582.db2.gz BGHTULFJHYVSCJ-VIFPVBQESA-N 1 1 312.370 -1.388 20 0 DAADMO O=C(C[NH+]1CCC1)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1 ZINC001275981787 782325604 /nfs/dbraw/zinc/32/56/04/782325604.db2.gz BGVFKRUWWDGMBH-LBPRGKRZSA-N 1 1 318.381 -1.052 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@H]1CC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001275982912 782325833 /nfs/dbraw/zinc/32/58/33/782325833.db2.gz QYYYZYOHMHOREX-NSHDSACASA-N 1 1 308.382 -1.255 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001095552513 782334970 /nfs/dbraw/zinc/33/49/70/782334970.db2.gz GTYSNCFVPGNYIW-RCWTZXSCSA-N 1 1 310.354 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649412 782335476 /nfs/dbraw/zinc/33/54/76/782335476.db2.gz VPMYNTWLLDWNAV-VWYCJHECSA-N 1 1 322.369 -1.951 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649412 782335487 /nfs/dbraw/zinc/33/54/87/782335487.db2.gz VPMYNTWLLDWNAV-VWYCJHECSA-N 1 1 322.369 -1.951 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649302 782336249 /nfs/dbraw/zinc/33/62/49/782336249.db2.gz PXQMXUCMXNNJRA-ZNSHCXBVSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649302 782336259 /nfs/dbraw/zinc/33/62/59/782336259.db2.gz PXQMXUCMXNNJRA-ZNSHCXBVSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649230 782336336 /nfs/dbraw/zinc/33/63/36/782336336.db2.gz MSGCRCLIOBWCBG-USZNOCQGSA-N 1 1 309.370 -1.316 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001095706137 782337221 /nfs/dbraw/zinc/33/72/21/782337221.db2.gz BBESIQVZSWZPQV-VWYCJHECSA-N 1 1 308.338 -1.337 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001095526468 782333487 /nfs/dbraw/zinc/33/34/87/782333487.db2.gz KDAKDMNQSUGIJR-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001095526468 782333496 /nfs/dbraw/zinc/33/34/96/782333496.db2.gz KDAKDMNQSUGIJR-WYUUTHIRSA-N 1 1 308.382 -1.020 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111024936 782340998 /nfs/dbraw/zinc/34/09/98/782340998.db2.gz CNNPTEVCACSJOJ-LBELIVKGSA-N 1 1 311.382 -1.162 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048766 782342963 /nfs/dbraw/zinc/34/29/63/782342963.db2.gz KCODCAWNZIGOOQ-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048766 782342973 /nfs/dbraw/zinc/34/29/73/782342973.db2.gz KCODCAWNZIGOOQ-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111067645 782344324 /nfs/dbraw/zinc/34/43/24/782344324.db2.gz MAYROPIYXHXXKR-DBIOUOCHSA-N 1 1 305.400 -1.362 20 0 DAADMO CCc1cc(N2CC[C@](O)(CNC(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001111124723 782347556 /nfs/dbraw/zinc/34/75/56/782347556.db2.gz SRQJXJSLWPPHPC-AWEZNQCLSA-N 1 1 307.354 -1.110 20 0 DAADMO CCc1cc(N2CC[C@@](O)(CNC(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001111124724 782347907 /nfs/dbraw/zinc/34/79/07/782347907.db2.gz SRQJXJSLWPPHPC-CQSZACIVSA-N 1 1 307.354 -1.110 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111248934 782352716 /nfs/dbraw/zinc/35/27/16/782352716.db2.gz UMTLDNGNOQOUES-QCNOEVLYSA-N 1 1 321.385 -1.081 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111263494 782352774 /nfs/dbraw/zinc/35/27/74/782352774.db2.gz UMTLDNGNOQOUES-KKOKHZNYSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001095785502 782352832 /nfs/dbraw/zinc/35/28/32/782352832.db2.gz WSLJMFQMEIIBNT-SVDPJWKOSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001095785502 782352838 /nfs/dbraw/zinc/35/28/38/782352838.db2.gz WSLJMFQMEIIBNT-SVDPJWKOSA-N 1 1 319.365 -1.011 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581525 782353766 /nfs/dbraw/zinc/35/37/66/782353766.db2.gz YVWYLWWAPQUOMW-OBJOEFQTSA-N 1 1 324.385 -1.349 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001111378181 782355984 /nfs/dbraw/zinc/35/59/84/782355984.db2.gz HZRMYSZMHZTPAF-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374152 782354811 /nfs/dbraw/zinc/35/48/11/782354811.db2.gz BJKSTTTXVJZYAL-KKOKHZNYSA-N 1 1 314.386 -1.226 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001111374680 782354862 /nfs/dbraw/zinc/35/48/62/782354862.db2.gz WQWUFYVOEKFHSG-CHWFTXMASA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001111374680 782354868 /nfs/dbraw/zinc/35/48/68/782354868.db2.gz WQWUFYVOEKFHSG-CHWFTXMASA-N 1 1 309.370 -1.345 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001111378181 782355978 /nfs/dbraw/zinc/35/59/78/782355978.db2.gz HZRMYSZMHZTPAF-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111181820 782351466 /nfs/dbraw/zinc/35/14/66/782351466.db2.gz OWUDJOZDVMSSPO-UPJWGTAASA-N 1 1 324.385 -1.206 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114494459 782357626 /nfs/dbraw/zinc/35/76/26/782357626.db2.gz ZTWLMAFUNLRCFY-PJXYFTJBSA-N 1 1 309.370 -1.335 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001111414678 782357808 /nfs/dbraw/zinc/35/78/08/782357808.db2.gz XQMUCOXYEFSYIW-MXWKQRLJSA-N 1 1 305.400 -1.097 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114494218 782357985 /nfs/dbraw/zinc/35/79/85/782357985.db2.gz VIMGLPOJMYHZQP-IWIIMEHWSA-N 1 1 322.369 -2.236 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114494218 782357993 /nfs/dbraw/zinc/35/79/93/782357993.db2.gz VIMGLPOJMYHZQP-IWIIMEHWSA-N 1 1 322.369 -2.236 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114506883 782358851 /nfs/dbraw/zinc/35/88/51/782358851.db2.gz DCUFYHDEUJGSSY-JIOCBJNQSA-N 1 1 318.324 -1.322 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001111378180 782356034 /nfs/dbraw/zinc/35/60/34/782356034.db2.gz HZRMYSZMHZTPAF-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001111378180 782356045 /nfs/dbraw/zinc/35/60/45/782356045.db2.gz HZRMYSZMHZTPAF-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865838 782356935 /nfs/dbraw/zinc/35/69/35/782356935.db2.gz UKVDLVDVCZBLDF-RNJOBUHISA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538700 782361339 /nfs/dbraw/zinc/36/13/39/782361339.db2.gz SGFNLFPDLWTWLQ-KIGUWFBYSA-N 1 1 309.366 -1.047 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccon1 ZINC001114571342 782362657 /nfs/dbraw/zinc/36/26/57/782362657.db2.gz RSQRNPKJQWAELR-IWIIMEHWSA-N 1 1 321.337 -1.152 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ccon1 ZINC001114571342 782362674 /nfs/dbraw/zinc/36/26/74/782362674.db2.gz RSQRNPKJQWAELR-IWIIMEHWSA-N 1 1 321.337 -1.152 20 0 DAADMO COCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114561387 782362871 /nfs/dbraw/zinc/36/28/71/782362871.db2.gz VJWPJYUAOXTJKF-JZYVYDRUSA-N 1 1 310.354 -1.346 20 0 DAADMO COCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114561387 782362875 /nfs/dbraw/zinc/36/28/75/782362875.db2.gz VJWPJYUAOXTJKF-JZYVYDRUSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC001114596373 782362992 /nfs/dbraw/zinc/36/29/92/782362992.db2.gz VHDCMYNXUULZNH-JLDUMIBSSA-N 1 1 311.382 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC001114502673 782359319 /nfs/dbraw/zinc/35/93/19/782359319.db2.gz ZCGABJSDKNPSEN-CIQGVGRVSA-N 1 1 311.382 -1.432 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1CC ZINC001114495906 782359354 /nfs/dbraw/zinc/35/93/54/782359354.db2.gz AXJBLEXDUCLQBW-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1CC ZINC001114495906 782359363 /nfs/dbraw/zinc/35/93/63/782359363.db2.gz AXJBLEXDUCLQBW-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC001114502674 782359506 /nfs/dbraw/zinc/35/95/06/782359506.db2.gz ZCGABJSDKNPSEN-NMKXLXIOSA-N 1 1 311.382 -1.432 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114672919 782367625 /nfs/dbraw/zinc/36/76/25/782367625.db2.gz XZGZVTRUFXYHFT-XZUYRWCXSA-N 1 1 323.397 -1.419 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114672919 782367633 /nfs/dbraw/zinc/36/76/33/782367633.db2.gz XZGZVTRUFXYHFT-XZUYRWCXSA-N 1 1 323.397 -1.419 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001114616413 782363443 /nfs/dbraw/zinc/36/34/43/782363443.db2.gz OTVDKZVIYDFTSV-GDGBQDQQSA-N 1 1 308.342 -2.496 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC001114616413 782363446 /nfs/dbraw/zinc/36/34/46/782363446.db2.gz OTVDKZVIYDFTSV-GDGBQDQQSA-N 1 1 308.342 -2.496 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114972081 782363995 /nfs/dbraw/zinc/36/39/95/782363995.db2.gz FDSQLNJACRSHQD-YTWAJWBKSA-N 1 1 306.366 -1.553 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)nn1 ZINC001114602308 782364068 /nfs/dbraw/zinc/36/40/68/782364068.db2.gz LEQSRZXIKIIBSE-NHAGDIPZSA-N 1 1 323.397 -1.104 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001114621002 782364397 /nfs/dbraw/zinc/36/43/97/782364397.db2.gz ATJBRAKKXUVOAA-YTWAJWBKSA-N 1 1 305.400 -1.518 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114624523 782364505 /nfs/dbraw/zinc/36/45/05/782364505.db2.gz ULIVTTDPXMIKMT-JZYVYDRUSA-N 1 1 306.388 -2.267 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H](C)F)C[C@H]21 ZINC001114623649 782364573 /nfs/dbraw/zinc/36/45/73/782364573.db2.gz CDRXUYVNGZXMQF-UXCLJVHYSA-N 1 1 322.406 -1.165 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114624426 782364677 /nfs/dbraw/zinc/36/46/77/782364677.db2.gz RMPPNQCHKHGCSN-JZYVYDRUSA-N 1 1 306.388 -2.531 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114624466 782364702 /nfs/dbraw/zinc/36/47/02/782364702.db2.gz SNWSETFMIJSTHO-QHOPCYEYSA-N 1 1 319.387 -3.040 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114676565 782367926 /nfs/dbraw/zinc/36/79/26/782367926.db2.gz ZLELMRKRCVDBGR-MEWQQHAOSA-N 1 1 306.370 -1.164 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114624466 782364707 /nfs/dbraw/zinc/36/47/07/782364707.db2.gz SNWSETFMIJSTHO-QHOPCYEYSA-N 1 1 319.387 -3.040 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114661801 782366297 /nfs/dbraw/zinc/36/62/97/782366297.db2.gz YPEPYDPYIXFTAC-QHOPCYEYSA-N 1 1 321.341 -1.643 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114661801 782366305 /nfs/dbraw/zinc/36/63/05/782366305.db2.gz YPEPYDPYIXFTAC-QHOPCYEYSA-N 1 1 321.341 -1.643 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114664157 782366606 /nfs/dbraw/zinc/36/66/06/782366606.db2.gz YYJDZZJSEXQWFK-QHOPCYEYSA-N 1 1 309.326 -2.636 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114664157 782366609 /nfs/dbraw/zinc/36/66/09/782366609.db2.gz YYJDZZJSEXQWFK-QHOPCYEYSA-N 1 1 309.326 -2.636 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114659346 782366629 /nfs/dbraw/zinc/36/66/29/782366629.db2.gz AKKJJTGVLHSVCW-MTBHXBHISA-N 1 1 307.314 -2.032 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114659346 782366633 /nfs/dbraw/zinc/36/66/33/782366633.db2.gz AKKJJTGVLHSVCW-MTBHXBHISA-N 1 1 307.314 -2.032 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114677983 782369202 /nfs/dbraw/zinc/36/92/02/782369202.db2.gz IJGCCHIYCFNUCF-MEWQQHAOSA-N 1 1 308.382 -1.307 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114677983 782369207 /nfs/dbraw/zinc/36/92/07/782369207.db2.gz IJGCCHIYCFNUCF-MEWQQHAOSA-N 1 1 308.382 -1.307 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114677980 782369441 /nfs/dbraw/zinc/36/94/41/782369441.db2.gz IJGCCHIYCFNUCF-DCQANWLSSA-N 1 1 308.382 -1.307 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114677980 782369450 /nfs/dbraw/zinc/36/94/50/782369450.db2.gz IJGCCHIYCFNUCF-DCQANWLSSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695784 782369736 /nfs/dbraw/zinc/36/97/36/782369736.db2.gz LHUQGWVIBAGHFK-NGJRWZKOSA-N 1 1 322.329 -2.547 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695784 782369743 /nfs/dbraw/zinc/36/97/43/782369743.db2.gz LHUQGWVIBAGHFK-NGJRWZKOSA-N 1 1 322.329 -2.547 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114708420 782369939 /nfs/dbraw/zinc/36/99/39/782369939.db2.gz ZISVLKAYERPADT-JZYVYDRUSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114708420 782369944 /nfs/dbraw/zinc/36/99/44/782369944.db2.gz ZISVLKAYERPADT-JZYVYDRUSA-N 1 1 320.353 -1.417 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738646 782370818 /nfs/dbraw/zinc/37/08/18/782370818.db2.gz IPSLZEKDBRSTNE-MSRIBSCDSA-N 1 1 319.365 -1.046 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114738646 782370827 /nfs/dbraw/zinc/37/08/27/782370827.db2.gz IPSLZEKDBRSTNE-MSRIBSCDSA-N 1 1 319.365 -1.046 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCOC1 ZINC001114730904 782371147 /nfs/dbraw/zinc/37/11/47/782371147.db2.gz LKOTWHYQUZUXHJ-XIJZCFGVSA-N 1 1 314.317 -1.644 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCOC1 ZINC001114730904 782371152 /nfs/dbraw/zinc/37/11/52/782371152.db2.gz LKOTWHYQUZUXHJ-XIJZCFGVSA-N 1 1 314.317 -1.644 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001114714812 782371526 /nfs/dbraw/zinc/37/15/26/782371526.db2.gz ZBLKPGXETUYRSH-NMKXLXIOSA-N 1 1 322.409 -1.011 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745911 782371818 /nfs/dbraw/zinc/37/18/18/782371818.db2.gz IHSMFNDXWPDVEQ-XZUYRWCXSA-N 1 1 323.397 -1.370 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745911 782371822 /nfs/dbraw/zinc/37/18/22/782371822.db2.gz IHSMFNDXWPDVEQ-XZUYRWCXSA-N 1 1 323.397 -1.370 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692388 782368558 /nfs/dbraw/zinc/36/85/58/782368558.db2.gz GONPGMGJAMLGTC-IAZYJMLFSA-N 1 1 321.385 -1.214 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692388 782368568 /nfs/dbraw/zinc/36/85/68/782368568.db2.gz GONPGMGJAMLGTC-IAZYJMLFSA-N 1 1 321.385 -1.214 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692901 782368669 /nfs/dbraw/zinc/36/86/69/782368669.db2.gz RBRVPFXYUNAWAK-ZRUFSTJUSA-N 1 1 321.385 -1.086 20 0 DAADMO CS(=O)(=O)CC1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CC1 ZINC001114752854 782373934 /nfs/dbraw/zinc/37/39/34/782373934.db2.gz MAVHIFPQGWXNCH-MYJAWHEDSA-N 1 1 315.395 -1.657 20 0 DAADMO CS(=O)(=O)CC1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CC1 ZINC001114752854 782373943 /nfs/dbraw/zinc/37/39/43/782373943.db2.gz MAVHIFPQGWXNCH-MYJAWHEDSA-N 1 1 315.395 -1.657 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114748584 782373962 /nfs/dbraw/zinc/37/39/62/782373962.db2.gz SLXSFSLQWFSZOB-SRRSOLGSSA-N 1 1 323.397 -1.514 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114748584 782373971 /nfs/dbraw/zinc/37/39/71/782373971.db2.gz SLXSFSLQWFSZOB-SRRSOLGSSA-N 1 1 323.397 -1.514 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001114753660 782374210 /nfs/dbraw/zinc/37/42/10/782374210.db2.gz ZQURBTZFYFNXQX-SCUASFONSA-N 1 1 319.361 -1.042 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114810467 782378375 /nfs/dbraw/zinc/37/83/75/782378375.db2.gz RVBZJPQWZXEGGN-KZVDOYCCSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752509 782374269 /nfs/dbraw/zinc/37/42/69/782374269.db2.gz FVJGINYROMCMOR-PJXYFTJBSA-N 1 1 320.349 -1.230 20 0 DAADMO CN(Cc1ccco1)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752509 782374282 /nfs/dbraw/zinc/37/42/82/782374282.db2.gz FVJGINYROMCMOR-PJXYFTJBSA-N 1 1 320.349 -1.230 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754566 782374704 /nfs/dbraw/zinc/37/47/04/782374704.db2.gz DIDDBASVNNYNMA-ZNSHCXBVSA-N 1 1 312.370 -1.941 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114810467 782378381 /nfs/dbraw/zinc/37/83/81/782378381.db2.gz RVBZJPQWZXEGGN-KZVDOYCCSA-N 1 1 311.382 -1.027 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001114763537 782376022 /nfs/dbraw/zinc/37/60/22/782376022.db2.gz DUVFEVIFIMKTSJ-YTWAJWBKSA-N 1 1 306.366 -1.423 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001114765824 782376230 /nfs/dbraw/zinc/37/62/30/782376230.db2.gz MJWQYVRMBODMAH-GDNZZTSVSA-N 1 1 320.393 -1.176 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114764635 782376690 /nfs/dbraw/zinc/37/66/90/782376690.db2.gz ZHRNFJPYDPREIJ-LOKLDPHHSA-N 1 1 320.349 -1.897 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001114781452 782377044 /nfs/dbraw/zinc/37/70/44/782377044.db2.gz ROUKYSWOVMFBGW-SPFNVWMYSA-N 1 1 312.370 -1.101 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001114781452 782377054 /nfs/dbraw/zinc/37/70/54/782377054.db2.gz ROUKYSWOVMFBGW-SPFNVWMYSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741321 782372180 /nfs/dbraw/zinc/37/21/80/782372180.db2.gz MQEFSTQSQRKJBP-GOONRYMUSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741321 782372197 /nfs/dbraw/zinc/37/21/97/782372197.db2.gz MQEFSTQSQRKJBP-GOONRYMUSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746088 782372798 /nfs/dbraw/zinc/37/27/98/782372798.db2.gz LJBQIFKYMQXJDT-PYHGXSLLSA-N 1 1 324.341 -2.830 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746088 782372802 /nfs/dbraw/zinc/37/28/02/782372802.db2.gz LJBQIFKYMQXJDT-PYHGXSLLSA-N 1 1 324.341 -2.830 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746760 782372836 /nfs/dbraw/zinc/37/28/36/782372836.db2.gz YUYMIRZFICCJEM-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746121 782373012 /nfs/dbraw/zinc/37/30/12/782373012.db2.gz LVHOSWOFPUDRDQ-WHOHXGKFSA-N 1 1 312.370 -1.623 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CCNC1=O ZINC001114826098 782378909 /nfs/dbraw/zinc/37/89/09/782378909.db2.gz CZZJUGCAHNEEFT-YFCNSXCBSA-N 1 1 311.382 -1.432 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCNC1=O ZINC001114826395 782378979 /nfs/dbraw/zinc/37/89/79/782378979.db2.gz JVPAEIREYDRCSG-VGMIOIIVSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCNC1=O ZINC001114826395 782378986 /nfs/dbraw/zinc/37/89/86/782378986.db2.gz JVPAEIREYDRCSG-VGMIOIIVSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114835569 782380252 /nfs/dbraw/zinc/38/02/52/782380252.db2.gz MEXXYWYEMCOGEI-MOWSAHLDSA-N 1 1 320.393 -1.320 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114835569 782380263 /nfs/dbraw/zinc/38/02/63/782380263.db2.gz MEXXYWYEMCOGEI-MOWSAHLDSA-N 1 1 320.393 -1.320 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114839568 782380650 /nfs/dbraw/zinc/38/06/50/782380650.db2.gz DQKGAQJIPRXFPA-JYAVWHMHSA-N 1 1 320.397 -1.118 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C ZINC001114857026 782382778 /nfs/dbraw/zinc/38/27/78/782382778.db2.gz PUWOICHEIWGRHY-CULRXLKQSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCC[C@H]1C ZINC001114857026 782382787 /nfs/dbraw/zinc/38/27/87/782382787.db2.gz PUWOICHEIWGRHY-CULRXLKQSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)O1 ZINC001114859724 782382914 /nfs/dbraw/zinc/38/29/14/782382914.db2.gz SRCYYHZLJYEBJX-GPTQDWHKSA-N 1 1 310.354 -1.205 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)O1 ZINC001114859724 782382923 /nfs/dbraw/zinc/38/29/23/782382923.db2.gz SRCYYHZLJYEBJX-GPTQDWHKSA-N 1 1 310.354 -1.205 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114810466 782378666 /nfs/dbraw/zinc/37/86/66/782378666.db2.gz RVBZJPQWZXEGGN-CZXHOFHRSA-N 1 1 311.382 -1.027 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114810466 782378675 /nfs/dbraw/zinc/37/86/75/782378675.db2.gz RVBZJPQWZXEGGN-CZXHOFHRSA-N 1 1 311.382 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114889400 782387041 /nfs/dbraw/zinc/38/70/41/782387041.db2.gz WKHSUWFBGDWMEN-WYOJIJJFSA-N 1 1 318.399 -2.284 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NS(C)(=O)=O ZINC001114889400 782387050 /nfs/dbraw/zinc/38/70/50/782387050.db2.gz WKHSUWFBGDWMEN-WYOJIJJFSA-N 1 1 318.399 -2.284 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114889770 782387068 /nfs/dbraw/zinc/38/70/68/782387068.db2.gz YSEXVCFESAGMPF-ZNSHCXBVSA-N 1 1 305.400 -1.647 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114894610 782387409 /nfs/dbraw/zinc/38/74/09/782387409.db2.gz INTQVCXRYNTQQD-IAZYJMLFSA-N 1 1 320.415 -2.189 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114915223 782387636 /nfs/dbraw/zinc/38/76/36/782387636.db2.gz HVXKLBCDCOGZPO-JZYVYDRUSA-N 1 1 311.386 -1.384 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114915223 782387645 /nfs/dbraw/zinc/38/76/45/782387645.db2.gz HVXKLBCDCOGZPO-JZYVYDRUSA-N 1 1 311.386 -1.384 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114895086 782387948 /nfs/dbraw/zinc/38/79/48/782387948.db2.gz QRGLPDFVDHMFDJ-JZYVYDRUSA-N 1 1 306.388 -2.579 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859561 782383704 /nfs/dbraw/zinc/38/37/04/782383704.db2.gz RMKVKQJIDCKTPS-CIQGVGRVSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859561 782383711 /nfs/dbraw/zinc/38/37/11/782383711.db2.gz RMKVKQJIDCKTPS-CIQGVGRVSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859561 782383720 /nfs/dbraw/zinc/38/37/20/782383720.db2.gz RMKVKQJIDCKTPS-CIQGVGRVSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114859561 782383731 /nfs/dbraw/zinc/38/37/31/782383731.db2.gz RMKVKQJIDCKTPS-CIQGVGRVSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114859561 782383741 /nfs/dbraw/zinc/38/37/41/782383741.db2.gz RMKVKQJIDCKTPS-CIQGVGRVSA-N 1 1 309.370 -1.209 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114883236 782386374 /nfs/dbraw/zinc/38/63/74/782386374.db2.gz UOGPNGZXYMASSB-CPOMMVLXSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001114883236 782386381 /nfs/dbraw/zinc/38/63/81/782386381.db2.gz UOGPNGZXYMASSB-CPOMMVLXSA-N 1 1 318.337 -1.280 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001095935949 782391255 /nfs/dbraw/zinc/39/12/55/782391255.db2.gz PUJJQITYWXNICS-LLHIFLOGSA-N 1 1 317.349 -1.007 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001095935949 782391260 /nfs/dbraw/zinc/39/12/60/782391260.db2.gz PUJJQITYWXNICS-LLHIFLOGSA-N 1 1 317.349 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114886470 782386566 /nfs/dbraw/zinc/38/65/66/782386566.db2.gz VWYSNWJZGPITFH-IWIIMEHWSA-N 1 1 320.353 -1.546 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114886470 782386569 /nfs/dbraw/zinc/38/65/69/782386569.db2.gz VWYSNWJZGPITFH-IWIIMEHWSA-N 1 1 320.353 -1.546 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001043373582 782399185 /nfs/dbraw/zinc/39/91/85/782399185.db2.gz NUKHWEGANDMKTA-NEPJUHHUSA-N 1 1 311.382 -1.051 20 0 DAADMO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 ZINC001043159486 782397635 /nfs/dbraw/zinc/39/76/35/782397635.db2.gz CTCQZTWTKZTQLO-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)C1 ZINC001043374567 782398481 /nfs/dbraw/zinc/39/84/81/782398481.db2.gz FTDASCSSECEURH-LLVKDONJSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3(C)CC3)C2)C1 ZINC001043374567 782398486 /nfs/dbraw/zinc/39/84/86/782398486.db2.gz FTDASCSSECEURH-LLVKDONJSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C2CC2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001043374714 782398526 /nfs/dbraw/zinc/39/85/26/782398526.db2.gz WESSBGZPKKMNHY-CHWSQXEVSA-N 1 1 323.393 -1.051 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047627912 782407232 /nfs/dbraw/zinc/40/72/32/782407232.db2.gz ZQFDJENZOWDECI-IHRRRGAJSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043704796 782402766 /nfs/dbraw/zinc/40/27/66/782402766.db2.gz QGAAFSCADKCNII-NWDGAFQWSA-N 1 1 322.369 -1.932 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)S1(=O)=O ZINC001096146281 782404916 /nfs/dbraw/zinc/40/49/16/782404916.db2.gz VEDIFCAEXVHSQM-RHYQMDGZSA-N 1 1 317.411 -1.266 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)S1(=O)=O ZINC001096146281 782404920 /nfs/dbraw/zinc/40/49/20/782404920.db2.gz VEDIFCAEXVHSQM-RHYQMDGZSA-N 1 1 317.411 -1.266 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001096080366 782405021 /nfs/dbraw/zinc/40/50/21/782405021.db2.gz GOOVNNIZYYDEFK-RCWTZXSCSA-N 1 1 310.354 -1.312 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001096159906 782405526 /nfs/dbraw/zinc/40/55/26/782405526.db2.gz RCGNVFPPIXVCCK-VFRUTBLMSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001096159906 782405529 /nfs/dbraw/zinc/40/55/29/782405529.db2.gz RCGNVFPPIXVCCK-VFRUTBLMSA-N 1 1 322.365 -1.366 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001096183335 782405556 /nfs/dbraw/zinc/40/55/56/782405556.db2.gz ZCHVBVMCCQCZTF-VWYCJHECSA-N 1 1 310.354 -1.358 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945677 782399831 /nfs/dbraw/zinc/39/98/31/782399831.db2.gz CBMFDZRARYOKEM-YTWAJWBKSA-N 1 1 309.370 -1.523 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001095945677 782399832 /nfs/dbraw/zinc/39/98/32/782399832.db2.gz CBMFDZRARYOKEM-YTWAJWBKSA-N 1 1 309.370 -1.523 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001096334296 782411791 /nfs/dbraw/zinc/41/17/91/782411791.db2.gz DMOPRQCMAGDEGX-WYUUTHIRSA-N 1 1 324.381 -1.017 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047630815 782407903 /nfs/dbraw/zinc/40/79/03/782407903.db2.gz ARNCZXZPLANMCU-GUBZILKMSA-N 1 1 307.372 -2.826 20 0 DAADMO Cc1ccnc(N2CC[NH+](CCCNC(=O)C(N)=O)CC2)n1 ZINC001096256756 782407947 /nfs/dbraw/zinc/40/79/47/782407947.db2.gz NVUXKEZUCFPFNL-UHFFFAOYSA-N 1 1 306.370 -1.101 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630636 782408443 /nfs/dbraw/zinc/40/84/43/782408443.db2.gz WCJXJVDFVLXMTI-DRZSPHRISA-N 1 1 323.397 -1.170 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096583371 782414102 /nfs/dbraw/zinc/41/41/02/782414102.db2.gz KWIYDMLIYGMXSQ-MROQNXINSA-N 1 1 310.398 -1.086 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096583371 782414107 /nfs/dbraw/zinc/41/41/07/782414107.db2.gz KWIYDMLIYGMXSQ-MROQNXINSA-N 1 1 310.398 -1.086 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001097211255 782419560 /nfs/dbraw/zinc/41/95/60/782419560.db2.gz KDAKDMNQSUGIJR-QCNOEVLYSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001097211255 782419566 /nfs/dbraw/zinc/41/95/66/782419566.db2.gz KDAKDMNQSUGIJR-QCNOEVLYSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097232118 782421003 /nfs/dbraw/zinc/42/10/03/782421003.db2.gz GJYWIIFBCLPOCZ-LOWDOPEQSA-N 1 1 311.382 -1.053 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001097244324 782421286 /nfs/dbraw/zinc/42/12/86/782421286.db2.gz FRBKGCMJFNXOFE-ZNSHCXBVSA-N 1 1 310.354 -1.312 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782216 782415879 /nfs/dbraw/zinc/41/58/79/782415879.db2.gz WDUZWLXZEFWDGE-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782216 782415884 /nfs/dbraw/zinc/41/58/84/782415884.db2.gz WDUZWLXZEFWDGE-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097227365 782422171 /nfs/dbraw/zinc/42/21/71/782422171.db2.gz MEGONLWNPIGKSR-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001097227365 782422183 /nfs/dbraw/zinc/42/21/83/782422183.db2.gz MEGONLWNPIGKSR-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097423034 782422663 /nfs/dbraw/zinc/42/26/63/782422663.db2.gz KNHQSJSKVVTVJR-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097423034 782422669 /nfs/dbraw/zinc/42/26/69/782422669.db2.gz KNHQSJSKVVTVJR-UTUOFQBUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)O1 ZINC001097323071 782422775 /nfs/dbraw/zinc/42/27/75/782422775.db2.gz RJVLXYBJKPKCEG-NJMOYASZSA-N 1 1 310.398 -1.088 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)O1 ZINC001097323071 782422779 /nfs/dbraw/zinc/42/27/79/782422779.db2.gz RJVLXYBJKPKCEG-NJMOYASZSA-N 1 1 310.398 -1.088 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097643017 782423832 /nfs/dbraw/zinc/42/38/32/782423832.db2.gz UKVDLVDVCZBLDF-LOWDOPEQSA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001097564880 782424102 /nfs/dbraw/zinc/42/41/02/782424102.db2.gz WSLJMFQMEIIBNT-BFLSOPEQSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001097564880 782424105 /nfs/dbraw/zinc/42/41/05/782424105.db2.gz WSLJMFQMEIIBNT-BFLSOPEQSA-N 1 1 319.365 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001097649288 782424400 /nfs/dbraw/zinc/42/44/00/782424400.db2.gz KAZXEFLTKDJUSN-KKOKHZNYSA-N 1 1 323.397 -1.180 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C2 ZINC001097649288 782424406 /nfs/dbraw/zinc/42/44/06/782424406.db2.gz KAZXEFLTKDJUSN-KKOKHZNYSA-N 1 1 323.397 -1.180 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640370 782424537 /nfs/dbraw/zinc/42/45/37/782424537.db2.gz IYYPHBPQIVIQMP-KKOKHZNYSA-N 1 1 308.382 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001097640370 782424546 /nfs/dbraw/zinc/42/45/46/782424546.db2.gz IYYPHBPQIVIQMP-KKOKHZNYSA-N 1 1 308.382 -1.068 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001097767820 782427547 /nfs/dbraw/zinc/42/75/47/782427547.db2.gz NMHOLNGQKLRTBM-HLTSFMKQSA-N 1 1 309.326 -2.255 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001097767820 782427549 /nfs/dbraw/zinc/42/75/49/782427549.db2.gz NMHOLNGQKLRTBM-HLTSFMKQSA-N 1 1 309.326 -2.255 20 0 DAADMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCC1 ZINC001097753929 782427592 /nfs/dbraw/zinc/42/75/92/782427592.db2.gz OCLUPHAUWXNLIP-KKOKHZNYSA-N 1 1 321.381 -1.378 20 0 DAADMO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCC1 ZINC001097753929 782427596 /nfs/dbraw/zinc/42/75/96/782427596.db2.gz OCLUPHAUWXNLIP-KKOKHZNYSA-N 1 1 321.381 -1.378 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)n(C)c1=O ZINC001097964092 782430371 /nfs/dbraw/zinc/43/03/71/782430371.db2.gz LNTIGUWEWVUYHW-JLLWLGSASA-N 1 1 322.365 -1.589 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)S1(=O)=O ZINC001098017133 782431615 /nfs/dbraw/zinc/43/16/15/782431615.db2.gz VEDIFCAEXVHSQM-WYUUTHIRSA-N 1 1 317.411 -1.266 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)S1(=O)=O ZINC001098017133 782431620 /nfs/dbraw/zinc/43/16/20/782431620.db2.gz VEDIFCAEXVHSQM-WYUUTHIRSA-N 1 1 317.411 -1.266 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069905331 782435054 /nfs/dbraw/zinc/43/50/54/782435054.db2.gz QXSJJLSMOXDUKT-UHTWSYAYSA-N 1 1 319.369 -1.034 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCOC)nn2)C1 ZINC001098659686 782444710 /nfs/dbraw/zinc/44/47/10/782444710.db2.gz RKYGGHQQVRPCJV-LBPRGKRZSA-N 1 1 324.385 -1.076 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001098214455 782439770 /nfs/dbraw/zinc/43/97/70/782439770.db2.gz JCJTYKXRRCMXNT-KKZNHRDASA-N 1 1 318.337 -1.255 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001098346850 782440092 /nfs/dbraw/zinc/44/00/92/782440092.db2.gz CXQUZMBNWKZSPJ-KKOKHZNYSA-N 1 1 324.381 -1.017 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343849 782440454 /nfs/dbraw/zinc/44/04/54/782440454.db2.gz QLWWKCDBRUROFZ-KYXWUPHJSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098343849 782440458 /nfs/dbraw/zinc/44/04/58/782440458.db2.gz QLWWKCDBRUROFZ-KYXWUPHJSA-N 1 1 323.353 -1.867 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098630036 782444224 /nfs/dbraw/zinc/44/42/24/782444224.db2.gz AAYMYDIXTQUOHM-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607917 782453682 /nfs/dbraw/zinc/45/36/82/782453682.db2.gz SQPYKWWTGZHVEA-JGVFFNPUSA-N 1 1 315.342 -1.648 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607917 782453687 /nfs/dbraw/zinc/45/36/87/782453687.db2.gz SQPYKWWTGZHVEA-JGVFFNPUSA-N 1 1 315.342 -1.648 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099605348 782453808 /nfs/dbraw/zinc/45/38/08/782453808.db2.gz UCTUCVUOWAGHDP-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099605348 782453811 /nfs/dbraw/zinc/45/38/11/782453811.db2.gz UCTUCVUOWAGHDP-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099605345 782453972 /nfs/dbraw/zinc/45/39/72/782453972.db2.gz UCTUCVUOWAGHDP-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099605345 782453980 /nfs/dbraw/zinc/45/39/80/782453980.db2.gz UCTUCVUOWAGHDP-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098752373 782445851 /nfs/dbraw/zinc/44/58/51/782445851.db2.gz XEJBVGZZRWZIHM-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO COC[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711938 782446505 /nfs/dbraw/zinc/44/65/05/782446505.db2.gz ZHHXMUYGNOGMNR-GXSJLCMTSA-N 1 1 310.358 -1.339 20 0 DAADMO COC[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711942 782446776 /nfs/dbraw/zinc/44/67/76/782446776.db2.gz ZHHXMUYGNOGMNR-ONGXEEELSA-N 1 1 310.358 -1.339 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCOCC1)C2 ZINC001099004840 782447790 /nfs/dbraw/zinc/44/77/90/782447790.db2.gz NAKIXLVPCASINM-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001099004840 782447794 /nfs/dbraw/zinc/44/77/94/782447794.db2.gz NAKIXLVPCASINM-NHYWBVRUSA-N 1 1 324.381 -1.699 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099613336 782454068 /nfs/dbraw/zinc/45/40/68/782454068.db2.gz HINUHRYWFDWHCU-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001099009032 782447990 /nfs/dbraw/zinc/44/79/90/782447990.db2.gz OQRVLQWQOYCIEO-HZMBPMFUSA-N 1 1 309.370 -1.532 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)CC1=O ZINC001098862771 782448023 /nfs/dbraw/zinc/44/80/23/782448023.db2.gz DXJTWBWIGPOGDA-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)CC1=O ZINC001098862771 782448025 /nfs/dbraw/zinc/44/80/25/782448025.db2.gz DXJTWBWIGPOGDA-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@H+](CCCO)C2)[C@@H]1CC(=O)NC(=O)N1 ZINC001099057128 782448068 /nfs/dbraw/zinc/44/80/68/782448068.db2.gz NYDJVWFUZSBJKH-PGUXBMHVSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)c1=O ZINC001098912906 782448384 /nfs/dbraw/zinc/44/83/84/782448384.db2.gz YEXUHYFVEXWJCQ-FZMZJTMJSA-N 1 1 309.370 -1.455 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098980779 782448950 /nfs/dbraw/zinc/44/89/50/782448950.db2.gz LSLCYELFWJCNKS-ZDMBXUJBSA-N 1 1 307.358 -1.332 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098980779 782448955 /nfs/dbraw/zinc/44/89/55/782448955.db2.gz LSLCYELFWJCNKS-ZDMBXUJBSA-N 1 1 307.358 -1.332 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001098912612 782448980 /nfs/dbraw/zinc/44/89/80/782448980.db2.gz NDPJLDQDEBMJBP-HUBLWGQQSA-N 1 1 323.397 -1.067 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001099126469 782449968 /nfs/dbraw/zinc/44/99/68/782449968.db2.gz QNZFTZKCDDRHRM-PGUXBMHVSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001099126469 782449977 /nfs/dbraw/zinc/44/99/77/782449977.db2.gz QNZFTZKCDDRHRM-PGUXBMHVSA-N 1 1 308.382 -1.018 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1O ZINC001099607480 782454531 /nfs/dbraw/zinc/45/45/31/782454531.db2.gz NESBIDQTDNOSTB-NWDGAFQWSA-N 1 1 307.416 -1.161 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C(F)(F)F ZINC001099322981 782450578 /nfs/dbraw/zinc/45/05/78/782450578.db2.gz OLVMFYDORRMLQS-PHDIDXHHSA-N 1 1 306.248 -1.118 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)nn1 ZINC001099178003 782450664 /nfs/dbraw/zinc/45/06/64/782450664.db2.gz APTRQNNLRPPAMD-HZMBPMFUSA-N 1 1 322.369 -1.660 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099520016 782451603 /nfs/dbraw/zinc/45/16/03/782451603.db2.gz LIKWUGCBKVUBDA-QEYWKRMJSA-N 1 1 323.353 -2.165 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CC(N)=O)C3)n1 ZINC001099398185 782451646 /nfs/dbraw/zinc/45/16/46/782451646.db2.gz WIZOHORCARBUOI-HZMBPMFUSA-N 1 1 321.385 -1.196 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099402122 782451669 /nfs/dbraw/zinc/45/16/69/782451669.db2.gz QJHALGAEFKSKLQ-YFKTTZPYSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099403440 782452139 /nfs/dbraw/zinc/45/21/39/782452139.db2.gz XPWVRGXSWOSESA-MMWGEVLESA-N 1 1 309.370 -1.691 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099629614 782456176 /nfs/dbraw/zinc/45/61/76/782456176.db2.gz FNEGCIKUOXFTHX-NWDGAFQWSA-N 1 1 303.359 -2.317 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099629937 782457064 /nfs/dbraw/zinc/45/70/64/782457064.db2.gz JYJVTFXZDVGJSG-KBPBESRZSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001099629937 782457066 /nfs/dbraw/zinc/45/70/66/782457066.db2.gz JYJVTFXZDVGJSG-KBPBESRZSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099631393 782457315 /nfs/dbraw/zinc/45/73/15/782457315.db2.gz WFHNHUWWHCOPSN-GHMZBOCLSA-N 1 1 323.340 -1.044 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630646 782457383 /nfs/dbraw/zinc/45/73/83/782457383.db2.gz PQPCDYVEAQSTDI-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099630646 782457387 /nfs/dbraw/zinc/45/73/87/782457387.db2.gz PQPCDYVEAQSTDI-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099631153 782457584 /nfs/dbraw/zinc/45/75/84/782457584.db2.gz UMLDJFGDAFYLIG-NEPJUHHUSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001099631153 782457588 /nfs/dbraw/zinc/45/75/88/782457588.db2.gz UMLDJFGDAFYLIG-NEPJUHHUSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099629902 782457719 /nfs/dbraw/zinc/45/77/19/782457719.db2.gz JGEGQHFUXBFHQX-NWDGAFQWSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099629902 782457723 /nfs/dbraw/zinc/45/77/23/782457723.db2.gz JGEGQHFUXBFHQX-NWDGAFQWSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099629940 782457823 /nfs/dbraw/zinc/45/78/23/782457823.db2.gz JYJVTFXZDVGJSG-ZIAGYGMSSA-N 1 1 323.397 -1.084 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001099629940 782457826 /nfs/dbraw/zinc/45/78/26/782457826.db2.gz JYJVTFXZDVGJSG-ZIAGYGMSSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)C1=COCCO1 ZINC001099641761 782458527 /nfs/dbraw/zinc/45/85/27/782458527.db2.gz HQFZELRJFOBDRJ-VXGBXAGGSA-N 1 1 316.354 -1.565 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1=COCCO1 ZINC001099641760 782458636 /nfs/dbraw/zinc/45/86/36/782458636.db2.gz HQFZELRJFOBDRJ-RYUDHWBXSA-N 1 1 316.354 -1.565 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642307 782458868 /nfs/dbraw/zinc/45/88/68/782458868.db2.gz OJMCPQHYBSDOIN-MNOVXSKESA-N 1 1 313.354 -1.438 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001099642307 782458876 /nfs/dbraw/zinc/45/88/76/782458876.db2.gz OJMCPQHYBSDOIN-MNOVXSKESA-N 1 1 313.354 -1.438 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099632648 782458974 /nfs/dbraw/zinc/45/89/74/782458974.db2.gz HJPVZUITAWBNQD-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099632648 782458982 /nfs/dbraw/zinc/45/89/82/782458982.db2.gz HJPVZUITAWBNQD-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099637691 782459218 /nfs/dbraw/zinc/45/92/18/782459218.db2.gz ZCCJWGJEDWEFKU-KGLIPLIRSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099637691 782459221 /nfs/dbraw/zinc/45/92/21/782459221.db2.gz ZCCJWGJEDWEFKU-KGLIPLIRSA-N 1 1 321.381 -1.027 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099633867 782459475 /nfs/dbraw/zinc/45/94/75/782459475.db2.gz UPCRJOBVXPDYPY-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099637693 782459688 /nfs/dbraw/zinc/45/96/88/782459688.db2.gz ZCCJWGJEDWEFKU-ZIAGYGMSSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099637693 782459693 /nfs/dbraw/zinc/45/96/93/782459693.db2.gz ZCCJWGJEDWEFKU-ZIAGYGMSSA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642306 782459726 /nfs/dbraw/zinc/45/97/26/782459726.db2.gz OJMCPQHYBSDOIN-GHMZBOCLSA-N 1 1 313.354 -1.438 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001099642306 782459727 /nfs/dbraw/zinc/45/97/27/782459727.db2.gz OJMCPQHYBSDOIN-GHMZBOCLSA-N 1 1 313.354 -1.438 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099632645 782459761 /nfs/dbraw/zinc/45/97/61/782459761.db2.gz HJPVZUITAWBNQD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099632645 782459765 /nfs/dbraw/zinc/45/97/65/782459765.db2.gz HJPVZUITAWBNQD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001099637633 782459896 /nfs/dbraw/zinc/45/98/96/782459896.db2.gz YGLOASGWFBLRGS-TZMCWYRMSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001099637633 782459901 /nfs/dbraw/zinc/45/99/01/782459901.db2.gz YGLOASGWFBLRGS-TZMCWYRMSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651030 782460510 /nfs/dbraw/zinc/46/05/10/782460510.db2.gz OJCSITZBWWEPSH-GHMZBOCLSA-N 1 1 302.375 -1.369 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645220 782460765 /nfs/dbraw/zinc/46/07/65/782460765.db2.gz NYUXPOOQPUWHDJ-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651002 782460991 /nfs/dbraw/zinc/46/09/91/782460991.db2.gz OAAHGAPOYXLIOX-CMPLNLGQSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651002 782460997 /nfs/dbraw/zinc/46/09/97/782460997.db2.gz OAAHGAPOYXLIOX-CMPLNLGQSA-N 1 1 322.369 -1.495 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099651290 782461801 /nfs/dbraw/zinc/46/18/01/782461801.db2.gz RZJDQORUONNNAP-MNOVXSKESA-N 1 1 310.358 -1.897 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001099650809 782461487 /nfs/dbraw/zinc/46/14/87/782461487.db2.gz KUNWLOPNKUCBBS-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099650145 782461522 /nfs/dbraw/zinc/46/15/22/782461522.db2.gz AHHRCXILFOUGFV-VXGBXAGGSA-N 1 1 324.385 -1.818 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650823 782461563 /nfs/dbraw/zinc/46/15/63/782461563.db2.gz LDIWTHURHLYEEM-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650823 782461568 /nfs/dbraw/zinc/46/15/68/782461568.db2.gz LDIWTHURHLYEEM-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO CSCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099655240 782463698 /nfs/dbraw/zinc/46/36/98/782463698.db2.gz YHFOFYJOLHSTNY-QWRGUYRKSA-N 1 1 316.427 -1.074 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665122 782463718 /nfs/dbraw/zinc/46/37/18/782463718.db2.gz AWNDWFIHFDVTBM-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665122 782463723 /nfs/dbraw/zinc/46/37/23/782463723.db2.gz AWNDWFIHFDVTBM-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665121 782464022 /nfs/dbraw/zinc/46/40/22/782464022.db2.gz AWNDWFIHFDVTBM-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665121 782464024 /nfs/dbraw/zinc/46/40/24/782464024.db2.gz AWNDWFIHFDVTBM-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665120 782464101 /nfs/dbraw/zinc/46/41/01/782464101.db2.gz AWNDWFIHFDVTBM-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665120 782464105 /nfs/dbraw/zinc/46/41/05/782464105.db2.gz AWNDWFIHFDVTBM-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001099665995 782464967 /nfs/dbraw/zinc/46/49/67/782464967.db2.gz OHNDLNOQQATPRD-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001099665995 782464976 /nfs/dbraw/zinc/46/49/76/782464976.db2.gz OHNDLNOQQATPRD-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665690 782465768 /nfs/dbraw/zinc/46/57/68/782465768.db2.gz LBKQLUZECITHJR-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665690 782465772 /nfs/dbraw/zinc/46/57/72/782465772.db2.gz LBKQLUZECITHJR-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665688 782465779 /nfs/dbraw/zinc/46/57/79/782465779.db2.gz LBKQLUZECITHJR-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665688 782465781 /nfs/dbraw/zinc/46/57/81/782465781.db2.gz LBKQLUZECITHJR-MNOVXSKESA-N 1 1 310.358 -1.860 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001099669716 782466937 /nfs/dbraw/zinc/46/69/37/782466937.db2.gz WWTTZZQQBCEEAG-ZJUUUORDSA-N 1 1 313.383 -1.137 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001099669716 782466940 /nfs/dbraw/zinc/46/69/40/782466940.db2.gz WWTTZZQQBCEEAG-ZJUUUORDSA-N 1 1 313.383 -1.137 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678544 782466960 /nfs/dbraw/zinc/46/69/60/782466960.db2.gz MFELNJWCIKRWGG-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678544 782466964 /nfs/dbraw/zinc/46/69/64/782466964.db2.gz MFELNJWCIKRWGG-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650825 782462186 /nfs/dbraw/zinc/46/21/86/782462186.db2.gz LDIWTHURHLYEEM-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650825 782462192 /nfs/dbraw/zinc/46/21/92/782462192.db2.gz LDIWTHURHLYEEM-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099665215 782462770 /nfs/dbraw/zinc/46/27/70/782462770.db2.gz CSIRHKBCBPVHJR-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099665215 782462778 /nfs/dbraw/zinc/46/27/78/782462778.db2.gz CSIRHKBCBPVHJR-GHMZBOCLSA-N 1 1 310.358 -1.860 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099663097 782463074 /nfs/dbraw/zinc/46/30/74/782463074.db2.gz JAXUCCOVTDRQSF-CHWSQXEVSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099663097 782463079 /nfs/dbraw/zinc/46/30/79/782463079.db2.gz JAXUCCOVTDRQSF-CHWSQXEVSA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1)C1CC1 ZINC001099741346 782475009 /nfs/dbraw/zinc/47/50/09/782475009.db2.gz RORANVJBMGDXLJ-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1)C1CC1 ZINC001099741346 782475010 /nfs/dbraw/zinc/47/50/10/782475010.db2.gz RORANVJBMGDXLJ-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099738882 782475186 /nfs/dbraw/zinc/47/51/86/782475186.db2.gz UALMERVBCBATOX-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099738882 782475188 /nfs/dbraw/zinc/47/51/88/782475188.db2.gz UALMERVBCBATOX-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099738884 782475304 /nfs/dbraw/zinc/47/53/04/782475304.db2.gz UALMERVBCBATOX-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099738884 782475308 /nfs/dbraw/zinc/47/53/08/782475308.db2.gz UALMERVBCBATOX-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)cc1=O ZINC001099743401 782475350 /nfs/dbraw/zinc/47/53/50/782475350.db2.gz JATYLEAUJFQVGQ-VXGBXAGGSA-N 1 1 322.365 -1.688 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099743680 782475379 /nfs/dbraw/zinc/47/53/79/782475379.db2.gz NMTCDZYGTKTJDD-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099743680 782475383 /nfs/dbraw/zinc/47/53/83/782475383.db2.gz NMTCDZYGTKTJDD-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099690897 782469286 /nfs/dbraw/zinc/46/92/86/782469286.db2.gz WOYABHVPTBKKRB-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099690897 782469287 /nfs/dbraw/zinc/46/92/87/782469287.db2.gz WOYABHVPTBKKRB-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099713286 782471627 /nfs/dbraw/zinc/47/16/27/782471627.db2.gz VQJPJSNHBXTOAC-WCQYABFASA-N 1 1 312.370 -1.406 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099738352 782472458 /nfs/dbraw/zinc/47/24/58/782472458.db2.gz MKJJMQACJCTVLL-RYUDHWBXSA-N 1 1 317.386 -1.927 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099738351 782472623 /nfs/dbraw/zinc/47/26/23/782472623.db2.gz MKJJMQACJCTVLL-NWDGAFQWSA-N 1 1 317.386 -1.927 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760824 782481669 /nfs/dbraw/zinc/48/16/69/782481669.db2.gz ONRDAUSQBJSYSI-ZYHUDNBSSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760824 782481676 /nfs/dbraw/zinc/48/16/76/782481676.db2.gz ONRDAUSQBJSYSI-ZYHUDNBSSA-N 1 1 307.354 -1.288 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099777804 782480401 /nfs/dbraw/zinc/48/04/01/782480401.db2.gz CMZJWMCYJURUAP-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)ncn1 ZINC001099776163 782481033 /nfs/dbraw/zinc/48/10/33/782481033.db2.gz NLNMUZMTASQANU-TZMCWYRMSA-N 1 1 324.381 -1.041 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760810 782481395 /nfs/dbraw/zinc/48/13/95/782481395.db2.gz OGGDMJDUPLVJKD-DTWKUNHWSA-N 1 1 322.387 -3.038 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760810 782481399 /nfs/dbraw/zinc/48/13/99/782481399.db2.gz OGGDMJDUPLVJKD-DTWKUNHWSA-N 1 1 322.387 -3.038 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099748657 782476732 /nfs/dbraw/zinc/47/67/32/782476732.db2.gz AMEFADPMVWPMOS-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758499 782478426 /nfs/dbraw/zinc/47/84/26/782478426.db2.gz TZVFIAOXBRECCD-MNOVXSKESA-N 1 1 303.359 -1.924 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001099758517 782478969 /nfs/dbraw/zinc/47/89/69/782478969.db2.gz UIHAWYBQUDHWRP-STQMWFEESA-N 1 1 323.397 -1.128 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099787182 782482963 /nfs/dbraw/zinc/48/29/63/782482963.db2.gz UKHBPMABKCTVKX-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099788551 782483551 /nfs/dbraw/zinc/48/35/51/782483551.db2.gz GQXIJOUKAMXPOB-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099788551 782483556 /nfs/dbraw/zinc/48/35/56/782483556.db2.gz GQXIJOUKAMXPOB-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1=CCOCC1 ZINC001099787590 782483980 /nfs/dbraw/zinc/48/39/80/782483980.db2.gz YEMIXVITFGDRDE-KBPBESRZSA-N 1 1 314.382 -1.107 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099791578 782484569 /nfs/dbraw/zinc/48/45/69/782484569.db2.gz HESFVQCGHDHECT-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099791342 782485424 /nfs/dbraw/zinc/48/54/24/782485424.db2.gz DBBLFQSXSNITPE-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099791983 782485751 /nfs/dbraw/zinc/48/57/51/782485751.db2.gz NJURCITWZIFYLD-MNOVXSKESA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099791983 782485753 /nfs/dbraw/zinc/48/57/53/782485753.db2.gz NJURCITWZIFYLD-MNOVXSKESA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099792639 782486263 /nfs/dbraw/zinc/48/62/63/782486263.db2.gz XMALIRQKBYJKHU-OLZOCXBDSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099792639 782486272 /nfs/dbraw/zinc/48/62/72/782486272.db2.gz XMALIRQKBYJKHU-OLZOCXBDSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001099792828 782486603 /nfs/dbraw/zinc/48/66/03/782486603.db2.gz ZVUGSERZGQJFAM-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099792638 782486959 /nfs/dbraw/zinc/48/69/59/782486959.db2.gz XMALIRQKBYJKHU-CHWSQXEVSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001099792638 782486962 /nfs/dbraw/zinc/48/69/62/782486962.db2.gz XMALIRQKBYJKHU-CHWSQXEVSA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001099792827 782487537 /nfs/dbraw/zinc/48/75/37/782487537.db2.gz ZVUGSERZGQJFAM-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801958 782489620 /nfs/dbraw/zinc/48/96/20/782489620.db2.gz MYWCKTZAXRVFAN-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001099801958 782489623 /nfs/dbraw/zinc/48/96/23/782489623.db2.gz MYWCKTZAXRVFAN-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099833132 782495129 /nfs/dbraw/zinc/49/51/29/782495129.db2.gz RKZLGJATJWXZCQ-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099841761 782496296 /nfs/dbraw/zinc/49/62/96/782496296.db2.gz MVSSEOAVBSMTJY-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001099841761 782496299 /nfs/dbraw/zinc/49/62/99/782496299.db2.gz MVSSEOAVBSMTJY-VXGBXAGGSA-N 1 1 320.411 -1.381 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099832919 782494449 /nfs/dbraw/zinc/49/44/49/782494449.db2.gz OPEYFJHOTMHYNM-WDEREUQCSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099832137 782494568 /nfs/dbraw/zinc/49/45/68/782494568.db2.gz BWVHHCKTLVISCI-NWDGAFQWSA-N 1 1 314.386 -1.665 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099860484 782498191 /nfs/dbraw/zinc/49/81/91/782498191.db2.gz CMOPCAKLZQYRCN-GHMZBOCLSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099857956 782498686 /nfs/dbraw/zinc/49/86/86/782498686.db2.gz FKWJDBFBWOVEGV-VHSXEESVSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099857956 782498691 /nfs/dbraw/zinc/49/86/91/782498691.db2.gz FKWJDBFBWOVEGV-VHSXEESVSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099857953 782498975 /nfs/dbraw/zinc/49/89/75/782498975.db2.gz FKTYWEKRYQTGJG-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099857953 782498979 /nfs/dbraw/zinc/49/89/79/782498979.db2.gz FKTYWEKRYQTGJG-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001099861372 782501097 /nfs/dbraw/zinc/50/10/97/782501097.db2.gz RFJVXTGCCDDBBG-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O)S(C)(=O)=O ZINC001099861372 782501103 /nfs/dbraw/zinc/50/11/03/782501103.db2.gz RFJVXTGCCDDBBG-NXEZZACHSA-N 1 1 311.379 -1.601 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099863284 782501243 /nfs/dbraw/zinc/50/12/43/782501243.db2.gz LFKGJEBVNYSRKF-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860994 782501587 /nfs/dbraw/zinc/50/15/87/782501587.db2.gz LIEAWECONNXRNV-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099863460 782501681 /nfs/dbraw/zinc/50/16/81/782501681.db2.gz MQTIXVLIMQTUPB-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099857991 782499197 /nfs/dbraw/zinc/49/91/97/782499197.db2.gz FWWIOJRUOJFBKW-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099857991 782499203 /nfs/dbraw/zinc/49/92/03/782499203.db2.gz FWWIOJRUOJFBKW-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099857992 782499307 /nfs/dbraw/zinc/49/93/07/782499307.db2.gz FWWIOJRUOJFBKW-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099857992 782499313 /nfs/dbraw/zinc/49/93/13/782499313.db2.gz FWWIOJRUOJFBKW-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099858653 782499643 /nfs/dbraw/zinc/49/96/43/782499643.db2.gz OYSUNRHSHFXRMY-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099858653 782499646 /nfs/dbraw/zinc/49/96/46/782499646.db2.gz OYSUNRHSHFXRMY-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099860901 782500658 /nfs/dbraw/zinc/50/06/58/782500658.db2.gz JVWHLSFLECIZLO-MNOVXSKESA-N 1 1 307.416 -1.115 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099861804 782500751 /nfs/dbraw/zinc/50/07/51/782500751.db2.gz ZDFYIKXAHLLPOH-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863556 782503068 /nfs/dbraw/zinc/50/30/68/782503068.db2.gz NDANCTAIYWYFJL-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099865631 782503294 /nfs/dbraw/zinc/50/32/94/782503294.db2.gz AYQHRUCUHMXBIG-OLZOCXBDSA-N 1 1 309.366 -1.218 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099865633 782504040 /nfs/dbraw/zinc/50/40/40/782504040.db2.gz AYQHRUCUHMXBIG-STQMWFEESA-N 1 1 309.366 -1.218 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001099862933 782501850 /nfs/dbraw/zinc/50/18/50/782501850.db2.gz FWFKPJDAJUUXEQ-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099860902 782501944 /nfs/dbraw/zinc/50/19/44/782501944.db2.gz JVWHLSFLECIZLO-QWRGUYRKSA-N 1 1 307.416 -1.115 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860993 782502044 /nfs/dbraw/zinc/50/20/44/782502044.db2.gz LIEAWECONNXRNV-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888238 782506306 /nfs/dbraw/zinc/50/63/06/782506306.db2.gz RCJGDDKULYIRHQ-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888238 782506309 /nfs/dbraw/zinc/50/63/09/782506309.db2.gz RCJGDDKULYIRHQ-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099888427 782506419 /nfs/dbraw/zinc/50/64/19/782506419.db2.gz WCKKVPRUBIIPIF-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888241 782506461 /nfs/dbraw/zinc/50/64/61/782506461.db2.gz RCJGDDKULYIRHQ-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888241 782506464 /nfs/dbraw/zinc/50/64/64/782506464.db2.gz RCJGDDKULYIRHQ-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099906108 782511337 /nfs/dbraw/zinc/51/13/37/782511337.db2.gz JYOHWLGZIXLTAZ-KGLIPLIRSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099895730 782508266 /nfs/dbraw/zinc/50/82/66/782508266.db2.gz YZQSLCDSSDSSAO-QWRGUYRKSA-N 1 1 316.358 -3.218 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099902244 782508769 /nfs/dbraw/zinc/50/87/69/782508769.db2.gz WCTWNPAPOOIGEN-IUCAKERBSA-N 1 1 309.313 -1.699 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901375 782509180 /nfs/dbraw/zinc/50/91/80/782509180.db2.gz ILSIWQCWUNBKML-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099903594 782510397 /nfs/dbraw/zinc/51/03/97/782510397.db2.gz IPDCGKJOHVERFG-OLZOCXBDSA-N 1 1 324.381 -1.033 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099909208 782510579 /nfs/dbraw/zinc/51/05/79/782510579.db2.gz PBHVFOFRXCBWMD-NEPJUHHUSA-N 1 1 316.402 -1.241 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099908395 782510598 /nfs/dbraw/zinc/51/05/98/782510598.db2.gz CPIZQCFXQAWSMC-WDEREUQCSA-N 1 1 302.375 -1.631 20 0 DAADMO CCNC(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099916175 782512722 /nfs/dbraw/zinc/51/27/22/782512722.db2.gz KBNWUZADNOOSLD-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO COCC1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099922333 782512817 /nfs/dbraw/zinc/51/28/17/782512817.db2.gz UWCUXKLQNLHSBQ-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099935958 782513057 /nfs/dbraw/zinc/51/30/57/782513057.db2.gz XMNNENRYRZZVQL-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001099923609 782513641 /nfs/dbraw/zinc/51/36/41/782513641.db2.gz GRMLEFJQKRWBPP-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001099923475 782513713 /nfs/dbraw/zinc/51/37/13/782513713.db2.gz DXGZTKAMTSFHIU-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001099937939 782514159 /nfs/dbraw/zinc/51/41/59/782514159.db2.gz ODZWMNOWAXTRHM-GHMZBOCLSA-N 1 1 322.431 -1.752 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099938175 782514690 /nfs/dbraw/zinc/51/46/90/782514690.db2.gz RSEYTJRSSSAMNX-BDAKNGLRSA-N 1 1 312.367 -2.439 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099938175 782514694 /nfs/dbraw/zinc/51/46/94/782514694.db2.gz RSEYTJRSSSAMNX-BDAKNGLRSA-N 1 1 312.367 -2.439 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099936826 782515086 /nfs/dbraw/zinc/51/50/86/782515086.db2.gz FHLBMFWWFJNQQE-CHWSQXEVSA-N 1 1 312.370 -1.108 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972587 782519010 /nfs/dbraw/zinc/51/90/10/782519010.db2.gz YXJANPHFYYPTBP-NXEZZACHSA-N 1 1 314.386 -1.672 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972587 782519016 /nfs/dbraw/zinc/51/90/16/782519016.db2.gz YXJANPHFYYPTBP-NXEZZACHSA-N 1 1 314.386 -1.672 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099978689 782521056 /nfs/dbraw/zinc/52/10/56/782521056.db2.gz JZJUAFYJEWAROG-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099978689 782521063 /nfs/dbraw/zinc/52/10/63/782521063.db2.gz JZJUAFYJEWAROG-VXGBXAGGSA-N 1 1 321.381 -1.263 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001099980365 782521105 /nfs/dbraw/zinc/52/11/05/782521105.db2.gz GWYJVMFVNXLSPR-NEPJUHHUSA-N 1 1 321.381 -1.300 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978672 782521410 /nfs/dbraw/zinc/52/14/10/782521410.db2.gz JRBHLLTZEDNAAQ-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978672 782521417 /nfs/dbraw/zinc/52/14/17/782521417.db2.gz JRBHLLTZEDNAAQ-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980643 782521865 /nfs/dbraw/zinc/52/18/65/782521865.db2.gz JCZYGSJKDNZPHD-ZJUUUORDSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980643 782521874 /nfs/dbraw/zinc/52/18/74/782521874.db2.gz JCZYGSJKDNZPHD-ZJUUUORDSA-N 1 1 312.370 -2.109 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001099986855 782523614 /nfs/dbraw/zinc/52/36/14/782523614.db2.gz QFJPHMHGGFGROT-STQMWFEESA-N 1 1 303.403 -1.502 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980639 782522062 /nfs/dbraw/zinc/52/20/62/782522062.db2.gz JCZYGSJKDNZPHD-UWVGGRQHSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980639 782522071 /nfs/dbraw/zinc/52/20/71/782522071.db2.gz JCZYGSJKDNZPHD-UWVGGRQHSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979578 782522462 /nfs/dbraw/zinc/52/24/62/782522462.db2.gz XDYHMXDVMQZCGX-BDAKNGLRSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979578 782522470 /nfs/dbraw/zinc/52/24/70/782522470.db2.gz XDYHMXDVMQZCGX-BDAKNGLRSA-N 1 1 300.359 -2.062 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001099981437 782523788 /nfs/dbraw/zinc/52/37/88/782523788.db2.gz OHDNGRJGZJDLHS-GHMZBOCLSA-N 1 1 322.369 -1.905 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099981459 782524839 /nfs/dbraw/zinc/52/48/39/782524839.db2.gz OMBONYJOWFVKBM-WDEREUQCSA-N 1 1 323.415 -2.011 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100010764 782525674 /nfs/dbraw/zinc/52/56/74/782525674.db2.gz KAOAACQBYUDCQU-STQMWFEESA-N 1 1 322.365 -1.645 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc2nnnn2n1 ZINC001099997163 782526133 /nfs/dbraw/zinc/52/61/33/782526133.db2.gz ZJYWMIUGVCDXIE-SNVBAGLBSA-N 1 1 320.357 -1.598 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc2nnnn2n1 ZINC001099997163 782526137 /nfs/dbraw/zinc/52/61/37/782526137.db2.gz ZJYWMIUGVCDXIE-SNVBAGLBSA-N 1 1 320.357 -1.598 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016821 782528533 /nfs/dbraw/zinc/52/85/33/782528533.db2.gz AAAKPOALIJEDBN-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016821 782528537 /nfs/dbraw/zinc/52/85/37/782528537.db2.gz AAAKPOALIJEDBN-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100020025 782529111 /nfs/dbraw/zinc/52/91/11/782529111.db2.gz KIJLNOCCTMNVBG-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001100022605 782529453 /nfs/dbraw/zinc/52/94/53/782529453.db2.gz OIUWQENHNKXVRY-GHMZBOCLSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001100022605 782529465 /nfs/dbraw/zinc/52/94/65/782529465.db2.gz OIUWQENHNKXVRY-GHMZBOCLSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001100022607 782530190 /nfs/dbraw/zinc/53/01/90/782530190.db2.gz OIUWQENHNKXVRY-QWRGUYRKSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001100022607 782530180 /nfs/dbraw/zinc/53/01/80/782530180.db2.gz OIUWQENHNKXVRY-QWRGUYRKSA-N 1 1 322.427 -1.257 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001100028895 782531111 /nfs/dbraw/zinc/53/11/11/782531111.db2.gz FFUVTQNZCVIXSA-UWVGGRQHSA-N 1 1 307.416 -1.115 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100028608 782532136 /nfs/dbraw/zinc/53/21/36/782532136.db2.gz ADCVAVWXYLNMEN-RYUDHWBXSA-N 1 1 312.370 -1.108 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001100030247 782532419 /nfs/dbraw/zinc/53/24/19/782532419.db2.gz WMUPOUJSTIPNPY-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100036287 782534247 /nfs/dbraw/zinc/53/42/47/782534247.db2.gz DLORONJIIHRADL-VXGBXAGGSA-N 1 1 324.381 -1.114 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100037468 782534810 /nfs/dbraw/zinc/53/48/10/782534810.db2.gz ZVMYJEGWCJYYFM-GHMZBOCLSA-N 1 1 310.354 -1.502 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100035321 782534922 /nfs/dbraw/zinc/53/49/22/782534922.db2.gz ZUKMUQFCLZCFRZ-RYUDHWBXSA-N 1 1 301.387 -1.308 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](O)C1 ZINC001100036285 782535247 /nfs/dbraw/zinc/53/52/47/782535247.db2.gz DLORONJIIHRADL-NWDGAFQWSA-N 1 1 324.381 -1.114 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100036367 782535349 /nfs/dbraw/zinc/53/53/49/782535349.db2.gz FLKVKTYXTLUFPC-ZIAGYGMSSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CCNC(=O)C1CCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100032561 782535501 /nfs/dbraw/zinc/53/55/01/782535501.db2.gz XPAORXCEAZDZPQ-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001100048821 782538805 /nfs/dbraw/zinc/53/88/05/782538805.db2.gz RQNSGJHNSNUIFB-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001100048821 782538814 /nfs/dbraw/zinc/53/88/14/782538814.db2.gz RQNSGJHNSNUIFB-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045495 782538911 /nfs/dbraw/zinc/53/89/11/782538911.db2.gz BUUIODIPEOPTJN-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046818 782538854 /nfs/dbraw/zinc/53/88/54/782538854.db2.gz SOMOXPIKZGNRFN-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045494 782539133 /nfs/dbraw/zinc/53/91/33/782539133.db2.gz BUUIODIPEOPTJN-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045493 782539287 /nfs/dbraw/zinc/53/92/87/782539287.db2.gz BUUIODIPEOPTJN-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001100047060 782539676 /nfs/dbraw/zinc/53/96/76/782539676.db2.gz WVVJNCVWDMMSMD-GHMZBOCLSA-N 1 1 300.338 -1.026 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046817 782540087 /nfs/dbraw/zinc/54/00/87/782540087.db2.gz SOMOXPIKZGNRFN-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100054097 782540957 /nfs/dbraw/zinc/54/09/57/782540957.db2.gz STZJSVNVNLHMMM-JGVFFNPUSA-N 1 1 313.276 -1.791 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100058532 782542389 /nfs/dbraw/zinc/54/23/89/782542389.db2.gz VEXFKKLUMXNPOQ-QWRGUYRKSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100058532 782542395 /nfs/dbraw/zinc/54/23/95/782542395.db2.gz VEXFKKLUMXNPOQ-QWRGUYRKSA-N 1 1 315.349 -1.147 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100064957 782543166 /nfs/dbraw/zinc/54/31/66/782543166.db2.gz VDYFSKPZMKVDIG-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100069088 782543408 /nfs/dbraw/zinc/54/34/08/782543408.db2.gz HJSKDSFNXHJQOZ-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCOCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100072650 782544255 /nfs/dbraw/zinc/54/42/55/782544255.db2.gz YPCUXHUCMDZTGH-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100064268 782544143 /nfs/dbraw/zinc/54/41/43/782544143.db2.gz KPIQWPSNWVXQCS-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100064268 782544149 /nfs/dbraw/zinc/54/41/49/782544149.db2.gz KPIQWPSNWVXQCS-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100064958 782544735 /nfs/dbraw/zinc/54/47/35/782544735.db2.gz VDYFSKPZMKVDIG-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100064266 782544786 /nfs/dbraw/zinc/54/47/86/782544786.db2.gz KPIQWPSNWVXQCS-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100064266 782544790 /nfs/dbraw/zinc/54/47/90/782544790.db2.gz KPIQWPSNWVXQCS-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001100072686 782545120 /nfs/dbraw/zinc/54/51/20/782545120.db2.gz ZBEDJXDYHCYXFH-RYUDHWBXSA-N 1 1 313.398 -1.211 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091931 782546476 /nfs/dbraw/zinc/54/64/76/782546476.db2.gz HYPFOEAZCLUYBA-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100083321 782547359 /nfs/dbraw/zinc/54/73/59/782547359.db2.gz QFTNYSYVGGDWJI-NWDGAFQWSA-N 1 1 300.403 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100083858 782548449 /nfs/dbraw/zinc/54/84/49/782548449.db2.gz WOYCKUGUTQMFMF-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100078793 782548503 /nfs/dbraw/zinc/54/85/03/782548503.db2.gz OMUHSBIADNTPRP-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100102906 782551363 /nfs/dbraw/zinc/55/13/63/782551363.db2.gz CPAYDJFQNWFNFK-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100102906 782551370 /nfs/dbraw/zinc/55/13/70/782551370.db2.gz CPAYDJFQNWFNFK-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C2)cn1 ZINC001100104063 782551410 /nfs/dbraw/zinc/55/14/10/782551410.db2.gz WHGVOJNNGXEWLL-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C2)cn1 ZINC001100104063 782551417 /nfs/dbraw/zinc/55/14/17/782551417.db2.gz WHGVOJNNGXEWLL-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100106543 782551475 /nfs/dbraw/zinc/55/14/75/782551475.db2.gz WCYIVCVGABXMJC-MNOVXSKESA-N 1 1 318.374 -2.395 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C2)cn1 ZINC001100104065 782551652 /nfs/dbraw/zinc/55/16/52/782551652.db2.gz WHGVOJNNGXEWLL-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C2)cn1 ZINC001100104065 782551648 /nfs/dbraw/zinc/55/16/48/782551648.db2.gz WHGVOJNNGXEWLL-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001100105120 782552320 /nfs/dbraw/zinc/55/23/20/782552320.db2.gz FHSKVRSZDOVLEB-NWDGAFQWSA-N 1 1 324.385 -1.507 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106773 782552788 /nfs/dbraw/zinc/55/27/88/782552788.db2.gz ZWWUQCCSQHVWEV-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100115619 782554497 /nfs/dbraw/zinc/55/44/97/782554497.db2.gz ABZWPTREHRTEIL-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001100117175 782554558 /nfs/dbraw/zinc/55/45/58/782554558.db2.gz DBXBFHUTCYYXJX-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100109489 782554632 /nfs/dbraw/zinc/55/46/32/782554632.db2.gz GFRSSZTXPCMORQ-KGLIPLIRSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109489 782554635 /nfs/dbraw/zinc/55/46/35/782554635.db2.gz GFRSSZTXPCMORQ-KGLIPLIRSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100109591 782555335 /nfs/dbraw/zinc/55/53/35/782555335.db2.gz HOIYADMASWJEND-YPMHNXCESA-N 1 1 312.370 -1.406 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001100117889 782557887 /nfs/dbraw/zinc/55/78/87/782557887.db2.gz QYFYZYYIXWWJGW-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100126662 782558180 /nfs/dbraw/zinc/55/81/80/782558180.db2.gz KTLUPLIKNQSXIQ-GHMZBOCLSA-N 1 1 316.402 -1.108 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100134775 782560480 /nfs/dbraw/zinc/56/04/80/782560480.db2.gz WIBLGWOHAZMSRW-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001100147468 782561648 /nfs/dbraw/zinc/56/16/48/782561648.db2.gz OALPMWXQNPVVGR-CHWSQXEVSA-N 1 1 311.386 -1.319 20 0 DAADMO NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100143137 782561930 /nfs/dbraw/zinc/56/19/30/782561930.db2.gz OQDRTCNTNZUELD-NWDGAFQWSA-N 1 1 317.386 -1.798 20 0 DAADMO CN(C)c1noc(C[NH2+]C2CC(CNC(=O)CC(N)=O)C2)n1 ZINC001100209127 782563208 /nfs/dbraw/zinc/56/32/08/782563208.db2.gz UYRSREIBTBVPJG-UHFFFAOYSA-N 1 1 310.358 -1.005 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CN2CN=NC2=O)C1 ZINC001100268043 782567401 /nfs/dbraw/zinc/56/74/01/782567401.db2.gz GNDSYSRRTOCZRI-UHFFFAOYSA-N 1 1 321.345 -1.808 20 0 DAADMO Cc1nnc(CC(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001100318269 782568984 /nfs/dbraw/zinc/56/89/84/782568984.db2.gz FRYOMALSFSXSNO-UHFFFAOYSA-N 1 1 319.373 -1.136 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001100528516 782577074 /nfs/dbraw/zinc/57/70/74/782577074.db2.gz FWFMHAFYIUZXPO-RPFQZYLTSA-N 1 1 321.385 -1.279 20 0 DAADMO CN(C)C(=O)CC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100739380 782582941 /nfs/dbraw/zinc/58/29/41/782582941.db2.gz VLFIIQOCRCTZCR-UHFFFAOYSA-N 1 1 309.374 -1.327 20 0 DAADMO CCCCn1nnnc1C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100628377 782579908 /nfs/dbraw/zinc/57/99/08/782579908.db2.gz GHXTZJMREHDQFC-UHFFFAOYSA-N 1 1 309.374 -1.057 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C2CC(CNC(=O)C(N)=O)C2)n1 ZINC001100628259 782579925 /nfs/dbraw/zinc/57/99/25/782579925.db2.gz AUZJTLZHEWCYGS-UHFFFAOYSA-N 1 1 324.341 -2.172 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2cnc[nH]2)C1 ZINC001100706755 782581059 /nfs/dbraw/zinc/58/10/59/782581059.db2.gz WSKAGOYEOSZKNN-UHFFFAOYSA-N 1 1 308.342 -1.369 20 0 DAADMO COCCc1noc(C[NH2+]C2CC(CNC(=O)C(N)=O)C2)n1 ZINC001100632786 782581128 /nfs/dbraw/zinc/58/11/28/782581128.db2.gz QFQYWCHDMKGUJQ-UHFFFAOYSA-N 1 1 311.342 -1.272 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001100668656 782581310 /nfs/dbraw/zinc/58/13/10/782581310.db2.gz DLPGJAGVRNHRAS-RPFQZYLTSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100766964 782582625 /nfs/dbraw/zinc/58/26/25/782582625.db2.gz HANHDKSAVZGMSX-UHFFFAOYSA-N 1 1 322.325 -1.394 20 0 DAADMO C[C@H]([NH2+]C1CC(CNC(=O)Cc2nnc[nH]2)C1)C(=O)NC(N)=O ZINC001100851926 782585687 /nfs/dbraw/zinc/58/56/87/782585687.db2.gz NCLWAEMSPPQYNQ-UEJVZZJDSA-N 1 1 323.357 -1.585 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101345944 782595369 /nfs/dbraw/zinc/59/53/69/782595369.db2.gz OLRUWMFXRUMYSQ-DAROEXNTSA-N 1 1 311.342 -2.165 20 0 DAADMO C[C@]12CN(C(=O)C(=O)NCC3CC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001101410106 782595458 /nfs/dbraw/zinc/59/54/58/782595458.db2.gz MZIHSMDCQRZNCA-ABAIWWIYSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101396636 782595682 /nfs/dbraw/zinc/59/56/82/782595682.db2.gz CXYYDQLCFGCRTN-OQPBUACISA-N 1 1 321.341 -1.607 20 0 DAADMO C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101396636 782595687 /nfs/dbraw/zinc/59/56/87/782595687.db2.gz CXYYDQLCFGCRTN-OQPBUACISA-N 1 1 321.341 -1.607 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)n1 ZINC001101327344 782595716 /nfs/dbraw/zinc/59/57/16/782595716.db2.gz VTXFXFKFTXJCEF-RISCZKNCSA-N 1 1 324.385 -1.387 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101347083 782595972 /nfs/dbraw/zinc/59/59/72/782595972.db2.gz VEQMADJGDRTBFW-OQPBUACISA-N 1 1 311.342 -2.292 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604031 782596484 /nfs/dbraw/zinc/59/64/84/782596484.db2.gz LORYQUYGKYMFIL-NSHDSACASA-N 1 1 307.354 -1.417 20 0 DAADMO CN(CCNc1nccn2nnnc12)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101538108 782596849 /nfs/dbraw/zinc/59/68/49/782596849.db2.gz JCIHZJUBZQSOBO-JTQLQIEISA-N 1 1 320.357 -1.280 20 0 DAADMO CN(CCNc1nccn2nnnc12)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101538108 782596855 /nfs/dbraw/zinc/59/68/55/782596855.db2.gz JCIHZJUBZQSOBO-JTQLQIEISA-N 1 1 320.357 -1.280 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101146814 782592077 /nfs/dbraw/zinc/59/20/77/782592077.db2.gz WUGRLRHLQAENRD-RULNRJAQSA-N 1 1 312.370 -1.004 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101210772 782592556 /nfs/dbraw/zinc/59/25/56/782592556.db2.gz BKLLAOQEXVWPFE-ZETOZRRWSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@]12CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001101256230 782592768 /nfs/dbraw/zinc/59/27/68/782592768.db2.gz LKKPJWOFVNWLNR-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001101122543 782592782 /nfs/dbraw/zinc/59/27/82/782592782.db2.gz MDXDQGATDRGODG-HFAKWTLXSA-N 1 1 323.397 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@]2(C)C1 ZINC001101210001 782592816 /nfs/dbraw/zinc/59/28/16/782592816.db2.gz MYIIEDFPAIJYQJ-RBZYPMLTSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@]12CN(C(=O)c3cn[nH]c3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101136532 782593139 /nfs/dbraw/zinc/59/31/39/782593139.db2.gz YGTDYUWWYJDYDU-YGRLFVJLSA-N 1 1 320.353 -1.002 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101211173 782593327 /nfs/dbraw/zinc/59/33/27/782593327.db2.gz VEGFRBNFVUUBPH-ABAIWWIYSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101375188 782594337 /nfs/dbraw/zinc/59/43/37/782594337.db2.gz GITVNZGZTFCWIN-WZRBSPASSA-N 1 1 319.427 -1.303 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618995 782598516 /nfs/dbraw/zinc/59/85/16/782598516.db2.gz LVLUYSROVSXRLH-ZJUUUORDSA-N 1 1 307.354 -1.289 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101623817 782598558 /nfs/dbraw/zinc/59/85/58/782598558.db2.gz KZPNAKZMHLBWFP-UWVGGRQHSA-N 1 1 322.369 -1.496 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC2(C[NH+](C[C@H](C)O)C2)n2ccnc21 ZINC001101623806 782598619 /nfs/dbraw/zinc/59/86/19/782598619.db2.gz KNMPWFAFICBREW-WDEREUQCSA-N 1 1 321.381 -1.028 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101607041 782598680 /nfs/dbraw/zinc/59/86/80/782598680.db2.gz CWUJWMXPFNPKFW-SECBINFHSA-N 1 1 308.342 -1.884 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101607836 782598735 /nfs/dbraw/zinc/59/87/35/782598735.db2.gz ZGSUJKJRIXWTNZ-SNVBAGLBSA-N 1 1 322.369 -1.494 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710318 782599842 /nfs/dbraw/zinc/59/98/42/782599842.db2.gz ZRPCPSSBJHWMFJ-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710875 782600911 /nfs/dbraw/zinc/60/09/11/782600911.db2.gz AXSQOXKPYAXOQN-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710875 782600916 /nfs/dbraw/zinc/60/09/16/782600916.db2.gz AXSQOXKPYAXOQN-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnccn1 ZINC001101683367 782600930 /nfs/dbraw/zinc/60/09/30/782600930.db2.gz ZYPRYFJQIWOHHH-NXEZZACHSA-N 1 1 320.353 -1.031 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101709733 782601076 /nfs/dbraw/zinc/60/10/76/782601076.db2.gz LPYKOAUGKCTBIU-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101709733 782601081 /nfs/dbraw/zinc/60/10/81/782601081.db2.gz LPYKOAUGKCTBIU-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101658121 782601149 /nfs/dbraw/zinc/60/11/49/782601149.db2.gz GMOVYJDYBIXXII-KXUCPTDWSA-N 1 1 300.359 -1.100 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714838 782601886 /nfs/dbraw/zinc/60/18/86/782601886.db2.gz QLQSPAQPIKTZCH-VXGBXAGGSA-N 1 1 312.374 -1.634 20 0 DAADMO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716971 782602224 /nfs/dbraw/zinc/60/22/24/782602224.db2.gz NNOKYZANADTPRM-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716971 782602228 /nfs/dbraw/zinc/60/22/28/782602228.db2.gz NNOKYZANADTPRM-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(=O)C2CC2)[C@H](C)C1 ZINC001101758141 782602369 /nfs/dbraw/zinc/60/23/69/782602369.db2.gz CJATZIIEYTXENG-ZYHUDNBSSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711648 782602495 /nfs/dbraw/zinc/60/24/95/782602495.db2.gz AXOZHISCLDMRKA-GMTAPVOTSA-N 1 1 313.402 -1.185 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716044 782603276 /nfs/dbraw/zinc/60/32/76/782603276.db2.gz OHQRQIOVRNDPSQ-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716915 782603374 /nfs/dbraw/zinc/60/33/74/782603374.db2.gz LKMUVSRCLAXJBT-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716915 782603376 /nfs/dbraw/zinc/60/33/76/782603376.db2.gz LKMUVSRCLAXJBT-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001101767888 782603433 /nfs/dbraw/zinc/60/34/33/782603433.db2.gz OFIIYSITFHPKSN-KXUCPTDWSA-N 1 1 300.359 -1.100 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001101966591 782607951 /nfs/dbraw/zinc/60/79/51/782607951.db2.gz RXAYALHWXXEAJS-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101979860 782608098 /nfs/dbraw/zinc/60/80/98/782608098.db2.gz FUEVVOWKRZIQKR-GMTAPVOTSA-N 1 1 309.374 -1.508 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101976463 782608230 /nfs/dbraw/zinc/60/82/30/782608230.db2.gz DCUNKZBJASDCKU-VXGBXAGGSA-N 1 1 319.373 -1.351 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CC(N)=O ZINC001101837675 782604472 /nfs/dbraw/zinc/60/44/72/782604472.db2.gz IXOIIDZTHQAHJG-UPJWGTAASA-N 1 1 323.397 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101837936 782604724 /nfs/dbraw/zinc/60/47/24/782604724.db2.gz UMUQNSIRJQHYDR-GHMZBOCLSA-N 1 1 324.381 -1.305 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784817 782605041 /nfs/dbraw/zinc/60/50/41/782605041.db2.gz OCIBZRLANBEBIT-MXWKQRLJSA-N 1 1 319.427 -1.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784817 782605049 /nfs/dbraw/zinc/60/50/49/782605049.db2.gz OCIBZRLANBEBIT-MXWKQRLJSA-N 1 1 319.427 -1.021 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784466 782605086 /nfs/dbraw/zinc/60/50/86/782605086.db2.gz DMDGKJIJSTWFBV-OUAUKWLOSA-N 1 1 319.427 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784466 782605091 /nfs/dbraw/zinc/60/50/91/782605091.db2.gz DMDGKJIJSTWFBV-OUAUKWLOSA-N 1 1 319.427 -1.150 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838658 782605210 /nfs/dbraw/zinc/60/52/10/782605210.db2.gz NBEHRTDOABJONT-OPRDCNLKSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838658 782605218 /nfs/dbraw/zinc/60/52/18/782605218.db2.gz NBEHRTDOABJONT-OPRDCNLKSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001101788374 782605235 /nfs/dbraw/zinc/60/52/35/782605235.db2.gz CRVJPSKEVHVPIT-GMTAPVOTSA-N 1 1 312.370 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cn(C)cn1 ZINC001101875631 782605437 /nfs/dbraw/zinc/60/54/37/782605437.db2.gz FKHTYUDRDPJPFR-NXEZZACHSA-N 1 1 322.369 -1.087 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976563 782608806 /nfs/dbraw/zinc/60/88/06/782608806.db2.gz IBZZDNXQKITING-GMTAPVOTSA-N 1 1 309.374 -1.379 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101903427 782606618 /nfs/dbraw/zinc/60/66/18/782606618.db2.gz CQYWWZJBVQYQRQ-GMTAPVOTSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980063 782609217 /nfs/dbraw/zinc/60/92/17/782609217.db2.gz KRDNQRMGGVPRBI-GMTAPVOTSA-N 1 1 307.358 -1.754 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101976485 782609373 /nfs/dbraw/zinc/60/93/73/782609373.db2.gz DUFBYALRFFRPNJ-RKDXNWHRSA-N 1 1 324.345 -2.448 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C ZINC001102021211 782609838 /nfs/dbraw/zinc/60/98/38/782609838.db2.gz KHUVNBFHBVAJCO-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC001102021211 782609845 /nfs/dbraw/zinc/60/98/45/782609845.db2.gz KHUVNBFHBVAJCO-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC001101985058 782609942 /nfs/dbraw/zinc/60/99/42/782609942.db2.gz YJDZXFJRKVOADS-OUAUKWLOSA-N 1 1 324.385 -1.558 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102016579 782610415 /nfs/dbraw/zinc/61/04/15/782610415.db2.gz CSBAIERSPJIFGG-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001102021362 782610428 /nfs/dbraw/zinc/61/04/28/782610428.db2.gz MZIIWZSEFMAQAW-GHMZBOCLSA-N 1 1 313.402 -1.312 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101980548 782610716 /nfs/dbraw/zinc/61/07/16/782610716.db2.gz XVHBZHNWAHWTIC-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007689 782610875 /nfs/dbraw/zinc/61/08/75/782610875.db2.gz IWTREGWQFBCKAH-CHWSQXEVSA-N 1 1 311.386 -1.029 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001101992569 782611233 /nfs/dbraw/zinc/61/12/33/782611233.db2.gz UQVFJHZSOXLINL-GMTAPVOTSA-N 1 1 314.386 -1.693 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001102190225 782613461 /nfs/dbraw/zinc/61/34/61/782613461.db2.gz XDSJWOHZOKMLOA-OUAUKWLOSA-N 1 1 322.431 -1.895 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001102017015 782611380 /nfs/dbraw/zinc/61/13/80/782611380.db2.gz ZYIGRSUDCFZRQQ-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102023915 782611510 /nfs/dbraw/zinc/61/15/10/782611510.db2.gz QOPAYFZBMVGPMD-MXWKQRLJSA-N 1 1 311.386 -1.512 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(C)CNC(=O)C2)[C@H](C)C1 ZINC001102177109 782613508 /nfs/dbraw/zinc/61/35/08/782613508.db2.gz JEQNMHVMLBWSNX-HFAKWTLXSA-N 1 1 310.398 -1.057 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102098865 782612085 /nfs/dbraw/zinc/61/20/85/782612085.db2.gz FEZHWKXOBPLZFH-ZYHUDNBSSA-N 1 1 314.386 -2.085 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCNC2=O)[C@H](C)C1 ZINC001102039578 782612136 /nfs/dbraw/zinc/61/21/36/782612136.db2.gz OAEXOKSMYPZYMS-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CN1CCOCC1=O ZINC001102053075 782612156 /nfs/dbraw/zinc/61/21/56/782612156.db2.gz RNYRQZJFFMNMGP-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCCCNC(N)=O ZINC001102128434 782612334 /nfs/dbraw/zinc/61/23/34/782612334.db2.gz LCJGZEULNWQMBV-GHMZBOCLSA-N 1 1 313.402 -1.006 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001102107214 782612437 /nfs/dbraw/zinc/61/24/37/782612437.db2.gz FPSWTRBUKULTBE-VXGBXAGGSA-N 1 1 311.386 -1.352 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001102118640 782613230 /nfs/dbraw/zinc/61/32/30/782613230.db2.gz PQDAKLZAUGWYSL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118640 782613235 /nfs/dbraw/zinc/61/32/35/782613235.db2.gz PQDAKLZAUGWYSL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118640 782613238 /nfs/dbraw/zinc/61/32/38/782613238.db2.gz PQDAKLZAUGWYSL-HRDYMLBCSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102479409 782616861 /nfs/dbraw/zinc/61/68/61/782616861.db2.gz PDGYGFIEXYUVKB-GMTAPVOTSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](C)C1 ZINC001102475043 782616910 /nfs/dbraw/zinc/61/69/10/782616910.db2.gz VYJFLRVJJPVXIG-IWSPIJDZSA-N 1 1 324.341 -1.049 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cccnn1 ZINC001102476569 782617002 /nfs/dbraw/zinc/61/70/02/782617002.db2.gz RCHMVXNTFCCFKG-NXEZZACHSA-N 1 1 320.353 -1.031 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102404764 782617243 /nfs/dbraw/zinc/61/72/43/782617243.db2.gz LKUCNJAVEOVGJD-KXUCPTDWSA-N 1 1 320.415 -1.907 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(=O)NCC2CC2)[C@H](C)C1 ZINC001102486335 782617281 /nfs/dbraw/zinc/61/72/81/782617281.db2.gz YXVFERYMOGCMBT-ZYHUDNBSSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001102472988 782617517 /nfs/dbraw/zinc/61/75/17/782617517.db2.gz FFYODBQHUDTBJT-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001102472988 782617521 /nfs/dbraw/zinc/61/75/21/782617521.db2.gz FFYODBQHUDTBJT-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001102472988 782617523 /nfs/dbraw/zinc/61/75/23/782617523.db2.gz FFYODBQHUDTBJT-HTQZYQBOSA-N 1 1 309.330 -1.703 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ccncn1 ZINC001102473584 782618087 /nfs/dbraw/zinc/61/80/87/782618087.db2.gz HEQIUXDNAKRLAU-NXEZZACHSA-N 1 1 320.353 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C(=O)NC)CC2)[C@H](C)C1 ZINC001102462627 782618323 /nfs/dbraw/zinc/61/83/23/782618323.db2.gz AFCIBRFNSUYDRL-GHMZBOCLSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCn2cnnn2)[C@H](C)C1 ZINC001102480051 782618676 /nfs/dbraw/zinc/61/86/76/782618676.db2.gz UZJQWBLDSNAEBO-IJLUTSLNSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102404765 782618748 /nfs/dbraw/zinc/61/87/48/782618748.db2.gz LKUCNJAVEOVGJD-OPRDCNLKSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215409 782613636 /nfs/dbraw/zinc/61/36/36/782613636.db2.gz PZHUKLXUDNIHHW-FRRDWIJNSA-N 1 1 312.414 -1.517 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102190221 782613914 /nfs/dbraw/zinc/61/39/14/782613914.db2.gz XAFXMAXKXUWOLK-NXEZZACHSA-N 1 1 308.404 -2.283 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C(=O)NCC(F)F)[C@H](C)C1 ZINC001102110785 782613977 /nfs/dbraw/zinc/61/39/77/782613977.db2.gz KREPDPIDWVETRQ-HRDYMLBCSA-N 1 1 320.340 -1.074 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[C@H](C)C1 ZINC001102292161 782614456 /nfs/dbraw/zinc/61/44/56/782614456.db2.gz BFQFZLRQZZAFNK-MXWKQRLJSA-N 1 1 311.386 -1.512 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241220 782614792 /nfs/dbraw/zinc/61/47/92/782614792.db2.gz KOLAHFQERMHLPY-GMTAPVOTSA-N 1 1 312.374 -1.485 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001102309201 782615134 /nfs/dbraw/zinc/61/51/34/782615134.db2.gz OJBHEOIQZCHIPQ-IJLUTSLNSA-N 1 1 313.398 -1.057 20 0 DAADMO COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C(N)=O)[C@H](C)C2)n1 ZINC001102310433 782615521 /nfs/dbraw/zinc/61/55/21/782615521.db2.gz WEUZJPBLQZLGHB-RKDXNWHRSA-N 1 1 311.342 -1.115 20 0 DAADMO COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C(N)=O)[C@H](C)C2)n1 ZINC001102310433 782615527 /nfs/dbraw/zinc/61/55/27/782615527.db2.gz WEUZJPBLQZLGHB-RKDXNWHRSA-N 1 1 311.342 -1.115 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C(N)=O ZINC001102306537 782615752 /nfs/dbraw/zinc/61/57/52/782615752.db2.gz YVMDIITWRSOZKZ-RKDXNWHRSA-N 1 1 309.326 -1.218 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C(N)=O ZINC001102306537 782615756 /nfs/dbraw/zinc/61/57/56/782615756.db2.gz YVMDIITWRSOZKZ-RKDXNWHRSA-N 1 1 309.326 -1.218 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001102218065 782615770 /nfs/dbraw/zinc/61/57/70/782615770.db2.gz RKVZIDYRGRLDKK-CHWSQXEVSA-N 1 1 312.414 -1.515 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)C(N)=O ZINC001102309399 782615883 /nfs/dbraw/zinc/61/58/83/782615883.db2.gz XRVXKBLARYCHSN-HTQZYQBOSA-N 1 1 324.303 -1.166 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CNC(=O)C(N)=O ZINC001102309399 782615886 /nfs/dbraw/zinc/61/58/86/782615886.db2.gz XRVXKBLARYCHSN-HTQZYQBOSA-N 1 1 324.303 -1.166 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(C)CCNC2=O)[C@H](C)C1 ZINC001102359456 782615940 /nfs/dbraw/zinc/61/59/40/782615940.db2.gz LFEJJARDLTUCKS-HFAKWTLXSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102654792 782622085 /nfs/dbraw/zinc/62/20/85/782622085.db2.gz AVDKTBUPUNYPOT-MXWKQRLJSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656755 782622627 /nfs/dbraw/zinc/62/26/27/782622627.db2.gz NWGDMNGDUMUFPO-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001102931217 782623258 /nfs/dbraw/zinc/62/32/58/782623258.db2.gz QJXPSYNLPLUQHM-GMTAPVOTSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CCNS(C)(=O)=O ZINC001103049790 782623985 /nfs/dbraw/zinc/62/39/85/782623985.db2.gz FFGADHKIMSFEFA-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO CNC(=O)NCCC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102948683 782624330 /nfs/dbraw/zinc/62/43/30/782624330.db2.gz QWUILIADPCGRPT-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C(=O)NCC(F)F ZINC001103171712 782624490 /nfs/dbraw/zinc/62/44/90/782624490.db2.gz QMGCDTNDQGOSFI-RKDXNWHRSA-N 1 1 320.340 -1.073 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991604 782624865 /nfs/dbraw/zinc/62/48/65/782624865.db2.gz UHMZUWZEPZBFNA-VXGBXAGGSA-N 1 1 323.401 -1.165 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cn(C)c(=O)cn1 ZINC001103251126 782624981 /nfs/dbraw/zinc/62/49/81/782624981.db2.gz ZMUPBWVBMZDAGX-GHMZBOCLSA-N 1 1 321.381 -1.047 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC001102537073 782620470 /nfs/dbraw/zinc/62/04/70/782620470.db2.gz HWKVAHYLLDVWCC-IJLUTSLNSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001102563327 782620635 /nfs/dbraw/zinc/62/06/35/782620635.db2.gz SLWHYDBPLSUUKD-MXWKQRLJSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001102536949 782620825 /nfs/dbraw/zinc/62/08/25/782620825.db2.gz ADKYMQPLTKOIST-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111680449 782631066 /nfs/dbraw/zinc/63/10/66/782631066.db2.gz VMGCGNBUCYGVPH-WMFXKJRFSA-N 1 1 322.365 -1.362 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cn(C)c(=O)n1C ZINC001103760598 782628798 /nfs/dbraw/zinc/62/87/98/782628798.db2.gz UHRVJHKHGUOODT-GHMZBOCLSA-N 1 1 323.397 -1.103 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001103730439 782625928 /nfs/dbraw/zinc/62/59/28/782625928.db2.gz QNXWONNLFAOYHK-IJLUTSLNSA-N 1 1 319.427 -1.255 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)c1cnon1 ZINC001103555147 782626513 /nfs/dbraw/zinc/62/65/13/782626513.db2.gz MWKYSPMHVHQOGG-RKDXNWHRSA-N 1 1 324.341 -1.048 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103390444 782626559 /nfs/dbraw/zinc/62/65/59/782626559.db2.gz VHABFUDMUPQHNX-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111581097 782631767 /nfs/dbraw/zinc/63/17/67/782631767.db2.gz FVYROIPWKAMEKQ-JSGCOSHPSA-N 1 1 324.385 -1.347 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CNC(N)=O)C2)C1=O ZINC001111586300 782631783 /nfs/dbraw/zinc/63/17/83/782631783.db2.gz PVPJXBZTJYLKGK-RWSFTLGLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980044 782637224 /nfs/dbraw/zinc/63/72/24/782637224.db2.gz JWLZKZAIZSXUNX-CIQGVGRVSA-N 1 1 310.398 -1.371 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980044 782637226 /nfs/dbraw/zinc/63/72/26/782637226.db2.gz JWLZKZAIZSXUNX-CIQGVGRVSA-N 1 1 310.398 -1.371 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114972338 782637350 /nfs/dbraw/zinc/63/73/50/782637350.db2.gz KQDSEOZHFHTELA-ZNSHCXBVSA-N 1 1 308.382 -1.307 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001111837202 782633487 /nfs/dbraw/zinc/63/34/87/782633487.db2.gz JJISNTBQLPKTAS-HZMBPMFUSA-N 1 1 321.385 -1.070 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001111837202 782633493 /nfs/dbraw/zinc/63/34/93/782633493.db2.gz JJISNTBQLPKTAS-HZMBPMFUSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111856749 782633593 /nfs/dbraw/zinc/63/35/93/782633593.db2.gz FQDRWQPXCLMNLY-NHYWBVRUSA-N 1 1 308.382 -1.031 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001111854839 782633646 /nfs/dbraw/zinc/63/36/46/782633646.db2.gz VITBWELSCFBWKK-RWSFTLGLSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)NC(N)=O ZINC001111748670 782633753 /nfs/dbraw/zinc/63/37/53/782633753.db2.gz ILUKKIQMWUSSLR-BFVZDQMLSA-N 1 1 311.386 -1.111 20 0 DAADMO C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)NC(N)=O ZINC001111748670 782633758 /nfs/dbraw/zinc/63/37/58/782633758.db2.gz ILUKKIQMWUSSLR-BFVZDQMLSA-N 1 1 311.386 -1.111 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001111750883 782633860 /nfs/dbraw/zinc/63/38/60/782633860.db2.gz FFOLMOUJQVJVQP-FZMZJTMJSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111913791 782634842 /nfs/dbraw/zinc/63/48/42/782634842.db2.gz BQGCQQGQNXHQGN-FZMZJTMJSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112087637 782635212 /nfs/dbraw/zinc/63/52/12/782635212.db2.gz NEMADPGYVCBWOH-BWZBUEFSSA-N 1 1 324.303 -1.025 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C(F)(F)F ZINC001112087514 782635224 /nfs/dbraw/zinc/63/52/24/782635224.db2.gz HUZDZILHXFPAEH-HTQZYQBOSA-N 1 1 324.303 -1.153 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnnn2)C1 ZINC001111914036 782635446 /nfs/dbraw/zinc/63/54/46/782635446.db2.gz PLMAQVYJALQFNL-SUNKGSAMSA-N 1 1 321.385 -1.092 20 0 DAADMO NC(=O)NCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111974790 782635469 /nfs/dbraw/zinc/63/54/69/782635469.db2.gz CMTDFZHZDQCPOU-PGUXBMHVSA-N 1 1 323.397 -1.096 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001114987041 782637427 /nfs/dbraw/zinc/63/74/27/782637427.db2.gz SXFJNBCGYMTUHO-MEWQQHAOSA-N 1 1 322.365 -1.646 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001114969848 782636102 /nfs/dbraw/zinc/63/61/02/782636102.db2.gz CYWXFBAXKRVDRT-GDNZZTSVSA-N 1 1 318.381 -1.149 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115047595 782639976 /nfs/dbraw/zinc/63/99/76/782639976.db2.gz ZDVPEFWHRZXMQF-WOFXILAISA-N 1 1 308.342 -2.137 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115047595 782639978 /nfs/dbraw/zinc/63/99/78/782639978.db2.gz ZDVPEFWHRZXMQF-WOFXILAISA-N 1 1 308.342 -2.137 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115048767 782640508 /nfs/dbraw/zinc/64/05/08/782640508.db2.gz CECHCWGNGWAAPA-MSRIBSCDSA-N 1 1 305.338 -1.835 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115048767 782640511 /nfs/dbraw/zinc/64/05/11/782640511.db2.gz CECHCWGNGWAAPA-MSRIBSCDSA-N 1 1 305.338 -1.835 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115048774 782640674 /nfs/dbraw/zinc/64/06/74/782640674.db2.gz CGYQKGRDYQAEEF-HBYGRHMLSA-N 1 1 319.365 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115048774 782640680 /nfs/dbraw/zinc/64/06/80/782640680.db2.gz CGYQKGRDYQAEEF-HBYGRHMLSA-N 1 1 319.365 -1.574 20 0 DAADMO Cc1cnoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115063501 782641253 /nfs/dbraw/zinc/64/12/53/782641253.db2.gz PLEYPJIETFNNEZ-MBTKJCJQSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1cnoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115063501 782641260 /nfs/dbraw/zinc/64/12/60/782641260.db2.gz PLEYPJIETFNNEZ-MBTKJCJQSA-N 1 1 307.310 -1.162 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115094374 782641291 /nfs/dbraw/zinc/64/12/91/782641291.db2.gz SYFKBLXJJYFPIK-UXCLJVHYSA-N 1 1 323.357 -2.784 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115094078 782641490 /nfs/dbraw/zinc/64/14/90/782641490.db2.gz NNHDTEFTRQVJFC-HJUHTLPRSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115094078 782641499 /nfs/dbraw/zinc/64/14/99/782641499.db2.gz NNHDTEFTRQVJFC-HJUHTLPRSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115074818 782641838 /nfs/dbraw/zinc/64/18/38/782641838.db2.gz TVAMYSLQYRWQIG-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cncn1 ZINC001115074818 782641844 /nfs/dbraw/zinc/64/18/44/782641844.db2.gz TVAMYSLQYRWQIG-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115105632 782642724 /nfs/dbraw/zinc/64/27/24/782642724.db2.gz IMGMVYHPNCPAMN-ZNSHCXBVSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115105632 782642727 /nfs/dbraw/zinc/64/27/27/782642727.db2.gz IMGMVYHPNCPAMN-ZNSHCXBVSA-N 1 1 308.382 -1.225 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001115103251 782642735 /nfs/dbraw/zinc/64/27/35/782642735.db2.gz GVHKHWURXBPCEV-SVDPJWKOSA-N 1 1 307.358 -1.756 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115008053 782638601 /nfs/dbraw/zinc/63/86/01/782638601.db2.gz UHQPSTJQQNTSDJ-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115008053 782638603 /nfs/dbraw/zinc/63/86/03/782638603.db2.gz UHQPSTJQQNTSDJ-WYOJIJJFSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017881 782638635 /nfs/dbraw/zinc/63/86/35/782638635.db2.gz HTAOYXZGBOTQFJ-DCQANWLSSA-N 1 1 321.385 -1.414 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115020626 782639143 /nfs/dbraw/zinc/63/91/43/782639143.db2.gz MOZDHRNLZVFYQX-XBWDGYHZSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115020626 782639148 /nfs/dbraw/zinc/63/91/48/782639148.db2.gz MOZDHRNLZVFYQX-XBWDGYHZSA-N 1 1 320.353 -1.418 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115018590 782639418 /nfs/dbraw/zinc/63/94/18/782639418.db2.gz VAHQZFKCAVOUFN-XZUYRWCXSA-N 1 1 319.369 -1.612 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001115018351 782639664 /nfs/dbraw/zinc/63/96/64/782639664.db2.gz QOQLYXCQDSTDGT-MEWQQHAOSA-N 1 1 322.365 -1.219 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033078 782639694 /nfs/dbraw/zinc/63/96/94/782639694.db2.gz GLFVEQFZPOXHHO-NDBYEHHHSA-N 1 1 311.382 -1.434 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001115018348 782639703 /nfs/dbraw/zinc/63/97/03/782639703.db2.gz QOQLYXCQDSTDGT-DCQANWLSSA-N 1 1 322.365 -1.219 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115169986 782644743 /nfs/dbraw/zinc/64/47/43/782644743.db2.gz JRRHYLPGIQCZQI-WOFXILAISA-N 1 1 320.353 -1.498 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115169986 782644744 /nfs/dbraw/zinc/64/47/44/782644744.db2.gz JRRHYLPGIQCZQI-WOFXILAISA-N 1 1 320.353 -1.498 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188295 782645043 /nfs/dbraw/zinc/64/50/43/782645043.db2.gz KCLREZYVRKHGKB-MEWQQHAOSA-N 1 1 319.427 -1.041 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115217018 782645855 /nfs/dbraw/zinc/64/58/55/782645855.db2.gz MWRBAUXKJPPNPC-IWIIMEHWSA-N 1 1 311.386 -1.431 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115208399 782646012 /nfs/dbraw/zinc/64/60/12/782646012.db2.gz BQAMYCYQVMSKNK-IMRBUKKESA-N 1 1 309.370 -1.013 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115219392 782646756 /nfs/dbraw/zinc/64/67/56/782646756.db2.gz WSIUWLQXVRFNBO-YABSGUDNSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115220029 782646961 /nfs/dbraw/zinc/64/69/61/782646961.db2.gz AGQZEDLEAMNDNW-GOONRYMUSA-N 1 1 323.397 -1.242 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115218685 782646988 /nfs/dbraw/zinc/64/69/88/782646988.db2.gz IKODYCZLQAGDJV-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)no1 ZINC001115241602 782647516 /nfs/dbraw/zinc/64/75/16/782647516.db2.gz LGJWIDOPHXIHBN-VROVMSAKSA-N 1 1 307.310 -1.547 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)no1 ZINC001115241602 782647519 /nfs/dbraw/zinc/64/75/19/782647519.db2.gz LGJWIDOPHXIHBN-VROVMSAKSA-N 1 1 307.310 -1.547 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001115241118 782647558 /nfs/dbraw/zinc/64/75/58/782647558.db2.gz BZCITJGLLOAFTJ-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001115241118 782647560 /nfs/dbraw/zinc/64/75/60/782647560.db2.gz BZCITJGLLOAFTJ-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115221330 782647577 /nfs/dbraw/zinc/64/75/77/782647577.db2.gz TZCRVHAEOHTZJM-PJXYFTJBSA-N 1 1 323.397 -1.383 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125922 782643718 /nfs/dbraw/zinc/64/37/18/782643718.db2.gz DUTHMJHDSRAMFT-NMKXLXIOSA-N 1 1 312.414 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CCC1 ZINC001115156373 782643755 /nfs/dbraw/zinc/64/37/55/782643755.db2.gz NESRZXGVFBNRHT-IAZYJMLFSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CCC1 ZINC001115156373 782643758 /nfs/dbraw/zinc/64/37/58/782643758.db2.gz NESRZXGVFBNRHT-IAZYJMLFSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001115156297 782643778 /nfs/dbraw/zinc/64/37/78/782643778.db2.gz LUGWODVJERGVJA-KXNHARMFSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125921 782643813 /nfs/dbraw/zinc/64/38/13/782643813.db2.gz DUTHMJHDSRAMFT-CIQGVGRVSA-N 1 1 312.414 -1.255 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001115128709 782643905 /nfs/dbraw/zinc/64/39/05/782643905.db2.gz QVDGOSMPQSZDQG-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001115128709 782643909 /nfs/dbraw/zinc/64/39/09/782643909.db2.gz QVDGOSMPQSZDQG-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115153084 782643952 /nfs/dbraw/zinc/64/39/52/782643952.db2.gz ZGRNUNXZYLSWIW-YABSGUDNSA-N 1 1 322.413 -1.003 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115269728 782650028 /nfs/dbraw/zinc/65/00/28/782650028.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115269728 782650035 /nfs/dbraw/zinc/65/00/35/782650035.db2.gz MCWFHNVJQSAMCI-SFDCQRBFSA-N 1 1 324.425 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115291778 782650115 /nfs/dbraw/zinc/65/01/15/782650115.db2.gz HGYAMLLHOBRHGW-WOFXILAISA-N 1 1 321.341 -3.074 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115291778 782650120 /nfs/dbraw/zinc/65/01/20/782650120.db2.gz HGYAMLLHOBRHGW-WOFXILAISA-N 1 1 321.341 -3.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C ZINC001115356578 782652940 /nfs/dbraw/zinc/65/29/40/782652940.db2.gz MPNLEQMEXRZGAS-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]cnc1C ZINC001115356578 782652945 /nfs/dbraw/zinc/65/29/45/782652945.db2.gz MPNLEQMEXRZGAS-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC001115359263 782653224 /nfs/dbraw/zinc/65/32/24/782653224.db2.gz UQFKXELIAGLNKG-KZVDOYCCSA-N 1 1 318.381 -1.317 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001115247958 782648875 /nfs/dbraw/zinc/64/88/75/782648875.db2.gz OMHMODHAQOMCAF-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001115247958 782648878 /nfs/dbraw/zinc/64/88/78/782648878.db2.gz OMHMODHAQOMCAF-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256622 782649825 /nfs/dbraw/zinc/64/98/25/782649825.db2.gz ZAVDZLHCQVLMJA-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256622 782649829 /nfs/dbraw/zinc/64/98/29/782649829.db2.gz ZAVDZLHCQVLMJA-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115292840 782649865 /nfs/dbraw/zinc/64/98/65/782649865.db2.gz WTJUEMDKYADJGJ-AXTSPUMRSA-N 1 1 311.386 -1.386 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001115292840 782649872 /nfs/dbraw/zinc/64/98/72/782649872.db2.gz WTJUEMDKYADJGJ-AXTSPUMRSA-N 1 1 311.386 -1.386 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001116393457 782660665 /nfs/dbraw/zinc/66/06/65/782660665.db2.gz IIEHWZOOLMSEES-MRVPVSSYSA-N 1 1 311.342 -1.105 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001116431631 782660816 /nfs/dbraw/zinc/66/08/16/782660816.db2.gz JQDIXESEUCOCEM-GFCCVEGCSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)[C@H]1CCCN1C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001116431631 782660825 /nfs/dbraw/zinc/66/08/25/782660825.db2.gz JQDIXESEUCOCEM-GFCCVEGCSA-N 1 1 323.397 -1.048 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001116651018 782664762 /nfs/dbraw/zinc/66/47/62/782664762.db2.gz AHNXIDZJXYGHQZ-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC(F)C2)CC1 ZINC001117050123 782672062 /nfs/dbraw/zinc/67/20/62/782672062.db2.gz AIAUWTZQPPSNEX-UHFFFAOYSA-N 1 1 300.334 -1.507 20 0 DAADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N1CCNC(=O)C1 ZINC001117102559 782674705 /nfs/dbraw/zinc/67/47/05/782674705.db2.gz XQGIEEXHQQBJJS-SNVBAGLBSA-N 1 1 307.354 -1.098 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001117093405 782674923 /nfs/dbraw/zinc/67/49/23/782674923.db2.gz XGHZYKSYRCDCTO-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC(CO)C1)CN1CC[NH+](C)CC1 ZINC001117085849 782674942 /nfs/dbraw/zinc/67/49/42/782674942.db2.gz MVSIDQSWHRVHSW-LBPRGKRZSA-N 1 1 312.414 -1.563 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001117090806 782674993 /nfs/dbraw/zinc/67/49/93/782674993.db2.gz RZYKTDMGIZRBTP-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001117090806 782674997 /nfs/dbraw/zinc/67/49/97/782674997.db2.gz RZYKTDMGIZRBTP-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCn1cccn1 ZINC001117109028 782676148 /nfs/dbraw/zinc/67/61/48/782676148.db2.gz SCGSMRDVVMBJMZ-LBPRGKRZSA-N 1 1 308.386 -1.639 20 0 DAADMO O=C(NCc1nnnn1C1CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117124593 782676495 /nfs/dbraw/zinc/67/64/95/782676495.db2.gz XGSUMAOKGYFTPB-VIFPVBQESA-N 1 1 319.369 -1.023 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001117173902 782678983 /nfs/dbraw/zinc/67/89/83/782678983.db2.gz PNTLWSIKYINJEY-TXEJJXNPSA-N 1 1 308.338 -1.066 20 0 DAADMO CS(=O)(=O)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117140666 782677308 /nfs/dbraw/zinc/67/73/08/782677308.db2.gz BAXXOTCMELIIOJ-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO CON(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001117152162 782677377 /nfs/dbraw/zinc/67/73/77/782677377.db2.gz GJWZYSMJLRWWRL-JTQLQIEISA-N 1 1 300.359 -1.290 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC001117146515 782677644 /nfs/dbraw/zinc/67/76/44/782677644.db2.gz FWPYMVYJKDJUJU-JTQLQIEISA-N 1 1 307.354 -1.003 20 0 DAADMO CON(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001117152163 782677666 /nfs/dbraw/zinc/67/76/66/782677666.db2.gz GJWZYSMJLRWWRL-SNVBAGLBSA-N 1 1 300.359 -1.290 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001117218368 782678685 /nfs/dbraw/zinc/67/86/85/782678685.db2.gz GMVCOUZACANDIU-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO O=C(NCCn1cncn1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001117303593 782681244 /nfs/dbraw/zinc/68/12/44/782681244.db2.gz XJZKUQJTPRVQNJ-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCNC1=O ZINC001117306123 782682368 /nfs/dbraw/zinc/68/23/68/782682368.db2.gz IQEHIHKZJQORTO-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001117317373 782683519 /nfs/dbraw/zinc/68/35/19/782683519.db2.gz UWLULTUMTQSKJN-VIFPVBQESA-N 1 1 311.346 -2.337 20 0 DAADMO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC001117316229 782684000 /nfs/dbraw/zinc/68/40/00/782684000.db2.gz JLTYGUCLDDUYNF-CFMSYZGJSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC001117316229 782684005 /nfs/dbraw/zinc/68/40/05/782684005.db2.gz JLTYGUCLDDUYNF-CFMSYZGJSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC001117316232 782684243 /nfs/dbraw/zinc/68/42/43/782684243.db2.gz JLTYGUCLDDUYNF-WVDJIFEKSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[S@@](C)=O)C1 ZINC001117316232 782684246 /nfs/dbraw/zinc/68/42/46/782684246.db2.gz JLTYGUCLDDUYNF-WVDJIFEKSA-N 1 1 305.400 -1.682 20 0 DAADMO CN(CC(C)(C)O)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001117358829 782686056 /nfs/dbraw/zinc/68/60/56/782686056.db2.gz CJJUOQXULUPLPV-NSHDSACASA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001117345359 782686136 /nfs/dbraw/zinc/68/61/36/782686136.db2.gz KIIBFLRFHBHGMP-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001117345359 782686141 /nfs/dbraw/zinc/68/61/41/782686141.db2.gz KIIBFLRFHBHGMP-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)n1C ZINC001117340001 782686404 /nfs/dbraw/zinc/68/64/04/782686404.db2.gz RTIHJTGMZXHPBZ-BMIGLBTASA-N 1 1 321.381 -1.057 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC([C@H]2CCOC2)C1 ZINC001117359808 782687702 /nfs/dbraw/zinc/68/77/02/782687702.db2.gz OPXLLPKBQGFTPM-JSGCOSHPSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC[N@H+]1C ZINC001117359438 782687786 /nfs/dbraw/zinc/68/77/86/782687786.db2.gz KSMQXGCQXNOFOH-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1 ZINC001117359810 782687957 /nfs/dbraw/zinc/68/79/57/782687957.db2.gz OPXLLPKBQGFTPM-TZMCWYRMSA-N 1 1 324.425 -1.157 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001117372152 782688106 /nfs/dbraw/zinc/68/81/06/782688106.db2.gz INZWMVYUFWJQBM-UHFFFAOYSA-N 1 1 321.337 -1.427 20 0 DAADMO CN(Cc1nccn1C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001117359524 782688255 /nfs/dbraw/zinc/68/82/55/782688255.db2.gz LKQHMAHOMGWWSL-LBPRGKRZSA-N 1 1 322.413 -1.260 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)NCCCN1CCCC1=O ZINC001117547863 782694025 /nfs/dbraw/zinc/69/40/25/782694025.db2.gz MZHCXQUJJGBCCR-QWHCGFSZSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)NCCCN1CCCC1=O ZINC001117547863 782694028 /nfs/dbraw/zinc/69/40/28/782694028.db2.gz MZHCXQUJJGBCCR-QWHCGFSZSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)NCCCN1CCCC1=O ZINC001117547862 782694388 /nfs/dbraw/zinc/69/43/88/782694388.db2.gz MZHCXQUJJGBCCR-OLZOCXBDSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)NCCCN1CCCC1=O ZINC001117547862 782694392 /nfs/dbraw/zinc/69/43/92/782694392.db2.gz MZHCXQUJJGBCCR-OLZOCXBDSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCNC1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001117594908 782696260 /nfs/dbraw/zinc/69/62/60/782696260.db2.gz PATHSRZJOHSYAP-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCNC1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001117594908 782696263 /nfs/dbraw/zinc/69/62/63/782696263.db2.gz PATHSRZJOHSYAP-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCNC1=O)[C@H]1C[N@H+](C)CCO1 ZINC001117594910 782696279 /nfs/dbraw/zinc/69/62/79/782696279.db2.gz PATHSRZJOHSYAP-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCNC1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001117594910 782696284 /nfs/dbraw/zinc/69/62/84/782696284.db2.gz PATHSRZJOHSYAP-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001118172801 782705944 /nfs/dbraw/zinc/70/59/44/782705944.db2.gz KPDDZBNSMZKCCT-MWLCHTKSSA-N 1 1 322.365 -1.397 20 0 DAADMO O=C(NCCNS(=O)(=O)Cc1ccon1)[C@H]1CSC[NH2+]1 ZINC001118203709 782708254 /nfs/dbraw/zinc/70/82/54/782708254.db2.gz OLDVWLNAAVIKLP-SECBINFHSA-N 1 1 320.396 -1.127 20 0 DAADMO CCCN(C(=O)C(=O)NCc1nnn(C)n1)[C@@H]1CC[N@@H+](C)C1 ZINC001118220470 782708655 /nfs/dbraw/zinc/70/86/55/782708655.db2.gz WBWLDXDJOPMHMH-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118271103 782710600 /nfs/dbraw/zinc/71/06/00/782710600.db2.gz IKVHIDGBFSPDQR-UHFFFAOYSA-N 1 1 321.447 -1.816 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2cnc(C(N)=O)n2)CCCO1 ZINC001118310012 782714216 /nfs/dbraw/zinc/71/42/16/782714216.db2.gz FLGVUFZRTGRLJC-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001118325768 782714574 /nfs/dbraw/zinc/71/45/74/782714574.db2.gz JZSHYLMQZBMCPV-MROQNXINSA-N 1 1 310.398 -1.493 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](O)C1 ZINC001118350444 782717085 /nfs/dbraw/zinc/71/70/85/782717085.db2.gz QTEMZBQCZPDFTA-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO CC1(O)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118390317 782718099 /nfs/dbraw/zinc/71/80/99/782718099.db2.gz QWGUMEQHAKBPMN-NWDGAFQWSA-N 1 1 311.382 -1.363 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC001118404904 782719373 /nfs/dbraw/zinc/71/93/73/782719373.db2.gz HSXITBNQELJVCJ-WDEREUQCSA-N 1 1 308.342 -2.291 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001118396217 782719718 /nfs/dbraw/zinc/71/97/18/782719718.db2.gz SBXWRAGJFWJVAE-ZRUFSTJUSA-N 1 1 315.320 -1.013 20 0 DAADMO C[C@@]12COC[C@@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001118464365 782720693 /nfs/dbraw/zinc/72/06/93/782720693.db2.gz BEESYPSMFCGTAJ-BCUIYNNISA-N 1 1 323.393 -1.241 20 0 DAADMO C[C@]12COC[C@@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001118464367 782720814 /nfs/dbraw/zinc/72/08/14/782720814.db2.gz BEESYPSMFCGTAJ-JFILPPLUSA-N 1 1 323.393 -1.241 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001118622466 782728152 /nfs/dbraw/zinc/72/81/52/782728152.db2.gz YFSSPUBTFAZDNO-VIFPVBQESA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149081419 782724165 /nfs/dbraw/zinc/72/41/65/782724165.db2.gz BXBWIIWWJPRCRA-CYBMUJFWSA-N 1 1 317.386 -1.662 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@H]1CC[N@@H+](C)C1 ZINC001118528159 782724310 /nfs/dbraw/zinc/72/43/10/782724310.db2.gz YFZPZCBJOAFDIT-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001118520612 782724571 /nfs/dbraw/zinc/72/45/71/782724571.db2.gz JEJKGIBURPFYFN-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149081421 782724771 /nfs/dbraw/zinc/72/47/71/782724771.db2.gz BXBWIIWWJPRCRA-ZDUSSCGKSA-N 1 1 317.386 -1.662 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001118622464 782728300 /nfs/dbraw/zinc/72/83/00/782728300.db2.gz YFSSPUBTFAZDNO-SECBINFHSA-N 1 1 309.374 -1.185 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCNC1=O ZINC001118610250 782728335 /nfs/dbraw/zinc/72/83/35/782728335.db2.gz JTEMIHQWECDDHF-STQMWFEESA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCNCC1 ZINC001118553782 782725868 /nfs/dbraw/zinc/72/58/68/782725868.db2.gz XHXKZCJEZDWOAV-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727209 /nfs/dbraw/zinc/72/72/09/782727209.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727213 /nfs/dbraw/zinc/72/72/13/782727213.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@@H+](C/C=C/CN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727217 /nfs/dbraw/zinc/72/72/17/782727217.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@H+](C/C=C/CN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727220 /nfs/dbraw/zinc/72/72/20/782727220.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727226 /nfs/dbraw/zinc/72/72/26/782727226.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558120 782727229 /nfs/dbraw/zinc/72/72/29/782727229.db2.gz MXNVHSYDYSENPA-SDDRIOSUSA-N 1 1 314.426 -1.107 20 0 DAADMO CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@@H]1CC[N@@H+](C)C1 ZINC001118586106 782727274 /nfs/dbraw/zinc/72/72/74/782727274.db2.gz QQVDIVQFMQCSGX-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149081777 782728004 /nfs/dbraw/zinc/72/80/04/782728004.db2.gz FJUWFYLZXLLSFX-CHWSQXEVSA-N 1 1 317.386 -1.663 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC001118616006 782728030 /nfs/dbraw/zinc/72/80/30/782728030.db2.gz FWBJDICLEILWRB-ZENOOKHLSA-N 1 1 324.425 -1.157 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001118703126 782732002 /nfs/dbraw/zinc/73/20/02/782732002.db2.gz PAVZUTCMJHOAPB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCCNC(=O)CC[C@H]1NC(=O)NC1=O)CC[NH+](C)C ZINC001118703126 782732006 /nfs/dbraw/zinc/73/20/06/782732006.db2.gz PAVZUTCMJHOAPB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001118682520 782730893 /nfs/dbraw/zinc/73/08/93/782730893.db2.gz PDZXFSGUGYINRQ-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1=CC[N@H+](C)CC1 ZINC001118867641 782737024 /nfs/dbraw/zinc/73/70/24/782737024.db2.gz NBEBNMSKGRQVLW-YPMHNXCESA-N 1 1 310.398 -1.142 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)C1=CC[N@@H+](C)CC1 ZINC001118867641 782737031 /nfs/dbraw/zinc/73/70/31/782737031.db2.gz NBEBNMSKGRQVLW-YPMHNXCESA-N 1 1 310.398 -1.142 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1=CC[N@H+](C)CC1 ZINC001118867639 782737362 /nfs/dbraw/zinc/73/73/62/782737362.db2.gz NBEBNMSKGRQVLW-DGCLKSJQSA-N 1 1 310.398 -1.142 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1=CC[N@@H+](C)CC1 ZINC001118867639 782737370 /nfs/dbraw/zinc/73/73/70/782737370.db2.gz NBEBNMSKGRQVLW-DGCLKSJQSA-N 1 1 310.398 -1.142 20 0 DAADMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(=O)n(C)c1 ZINC001118940078 782742502 /nfs/dbraw/zinc/74/25/02/782742502.db2.gz VLUPLLIKZFHNSL-LLVKDONJSA-N 1 1 322.365 -1.185 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ncccn1)[C@@H]1C[N@H+](C)CCO1 ZINC001119080204 782747510 /nfs/dbraw/zinc/74/75/10/782747510.db2.gz HJDDAUJFRIFUIN-QWRGUYRKSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ncccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001119080204 782747513 /nfs/dbraw/zinc/74/75/13/782747513.db2.gz HJDDAUJFRIFUIN-QWRGUYRKSA-N 1 1 307.354 -1.072 20 0 DAADMO O=C(NCc1ccc[nH]c1=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001119088494 782747533 /nfs/dbraw/zinc/74/75/33/782747533.db2.gz PFVZROVFZLCMEI-NWDGAFQWSA-N 1 1 320.349 -1.319 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCCNC(=O)C1 ZINC001119178431 782749448 /nfs/dbraw/zinc/74/94/48/782749448.db2.gz XRNRABRPWIQITG-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCCNC(=O)C1 ZINC001119178430 782749466 /nfs/dbraw/zinc/74/94/66/782749466.db2.gz XRNRABRPWIQITG-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC001119351906 782753219 /nfs/dbraw/zinc/75/32/19/782753219.db2.gz MEVBEJGUUBDNIS-QWHCGFSZSA-N 1 1 311.430 -1.312 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC=C[C@H]1CO)CN1CC[NH+](C)CC1 ZINC001119530582 782753823 /nfs/dbraw/zinc/75/38/23/782753823.db2.gz HUOMBEWBIBRWKN-KGLIPLIRSA-N 1 1 324.425 -1.255 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001119532674 782754525 /nfs/dbraw/zinc/75/45/25/782754525.db2.gz KEGNUCINBDLWCQ-HOMQSWHASA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC=C[C@@H]1CO)CN1CC[NH+](C)CC1 ZINC001119530583 782754622 /nfs/dbraw/zinc/75/46/22/782754622.db2.gz HUOMBEWBIBRWKN-UONOGXRCSA-N 1 1 324.425 -1.255 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC=C[C@H]1CO)CN1CC[NH+](C)CC1 ZINC001119530581 782754867 /nfs/dbraw/zinc/75/48/67/782754867.db2.gz HUOMBEWBIBRWKN-KBPBESRZSA-N 1 1 324.425 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001211487438 775119044 /nfs/dbraw/zinc/11/90/44/775119044.db2.gz SWTJPXSFPOZZJP-ZYHUDNBSSA-N 1 1 308.386 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001211487438 775119048 /nfs/dbraw/zinc/11/90/48/775119048.db2.gz SWTJPXSFPOZZJP-ZYHUDNBSSA-N 1 1 308.386 -1.070 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001266248289 775119464 /nfs/dbraw/zinc/11/94/64/775119464.db2.gz JCSKURHIJKAFFP-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001266252985 775119581 /nfs/dbraw/zinc/11/95/81/775119581.db2.gz IWDGSOCDFRLENA-UHFFFAOYSA-N 1 1 323.353 -1.173 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001266252985 775119593 /nfs/dbraw/zinc/11/95/93/775119593.db2.gz IWDGSOCDFRLENA-UHFFFAOYSA-N 1 1 323.353 -1.173 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206753412 775120005 /nfs/dbraw/zinc/12/00/05/775120005.db2.gz UAKZWSVGBPGEKY-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206753412 775120015 /nfs/dbraw/zinc/12/00/15/775120015.db2.gz UAKZWSVGBPGEKY-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001282366060 775120338 /nfs/dbraw/zinc/12/03/38/775120338.db2.gz HNPDVRBDNPLAIA-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001282366060 775120343 /nfs/dbraw/zinc/12/03/43/775120343.db2.gz HNPDVRBDNPLAIA-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001266248291 775120440 /nfs/dbraw/zinc/12/04/40/775120440.db2.gz JCSKURHIJKAFFP-WDEREUQCSA-N 1 1 312.370 -1.062 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001266248290 775120471 /nfs/dbraw/zinc/12/04/71/775120471.db2.gz JCSKURHIJKAFFP-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO Cc1cc(C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)ncn1 ZINC001266268081 775120487 /nfs/dbraw/zinc/12/04/87/775120487.db2.gz ZMBUXNBOUFYKLX-UHFFFAOYSA-N 1 1 320.353 -1.002 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC(N)=O ZINC001282365247 775120518 /nfs/dbraw/zinc/12/05/18/775120518.db2.gz CPQSKLBYEITJAY-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO Cc1ccnn1CC(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266273988 775121207 /nfs/dbraw/zinc/12/12/07/775121207.db2.gz VXHCMSSORSKOBM-UHFFFAOYSA-N 1 1 322.413 -1.199 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@H+](C)CC(=O)NC(=O)NCC ZINC001266270152 775121472 /nfs/dbraw/zinc/12/14/72/775121472.db2.gz LIZHPGGYTIXWLP-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NCC ZINC001266270152 775121475 /nfs/dbraw/zinc/12/14/75/775121475.db2.gz LIZHPGGYTIXWLP-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266277261 775121533 /nfs/dbraw/zinc/12/15/33/775121533.db2.gz UMJUOGQFDGGNBS-NXEZZACHSA-N 1 1 312.370 -1.246 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266277261 775121538 /nfs/dbraw/zinc/12/15/38/775121538.db2.gz UMJUOGQFDGGNBS-NXEZZACHSA-N 1 1 312.370 -1.246 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266310950 775127778 /nfs/dbraw/zinc/12/77/78/775127778.db2.gz OKVWKXXUWFGUGF-ZJUUUORDSA-N 1 1 310.354 -1.492 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266310950 775127787 /nfs/dbraw/zinc/12/77/87/775127787.db2.gz OKVWKXXUWFGUGF-ZJUUUORDSA-N 1 1 310.354 -1.492 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266322645 775129258 /nfs/dbraw/zinc/12/92/58/775129258.db2.gz LCGORDPZOFRWSX-UTLUCORTSA-N 1 1 314.342 -2.218 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266322643 775129570 /nfs/dbraw/zinc/12/95/70/775129570.db2.gz LCGORDPZOFRWSX-BBBLOLIVSA-N 1 1 314.342 -2.218 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001266320873 775129594 /nfs/dbraw/zinc/12/95/94/775129594.db2.gz HZAIXSKBYQVVAB-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266332403 775130250 /nfs/dbraw/zinc/13/02/50/775130250.db2.gz MVYWNJRDTSOWCT-SECBINFHSA-N 1 1 314.342 -1.510 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)CCCO)C1=O ZINC001266332206 775130786 /nfs/dbraw/zinc/13/07/86/775130786.db2.gz GNRWYLYNDJTVEO-UHFFFAOYSA-N 1 1 300.315 -2.163 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001266332981 775131111 /nfs/dbraw/zinc/13/11/11/775131111.db2.gz DSMXUUCRFOHXRS-SNVBAGLBSA-N 1 1 308.404 -1.733 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266327300 775131354 /nfs/dbraw/zinc/13/13/54/775131354.db2.gz CHROUWZGJIKWCW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001266327300 775131357 /nfs/dbraw/zinc/13/13/57/775131357.db2.gz CHROUWZGJIKWCW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266349405 775133179 /nfs/dbraw/zinc/13/31/79/775133179.db2.gz FWJKVPBRYJZUMP-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266349405 775133182 /nfs/dbraw/zinc/13/31/82/775133182.db2.gz FWJKVPBRYJZUMP-NXEZZACHSA-N 1 1 321.341 -1.941 20 0 DAADMO Cn1nccc1CC[N@@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266357195 775133228 /nfs/dbraw/zinc/13/32/28/775133228.db2.gz OCTPZDOCSIKSHZ-UHFFFAOYSA-N 1 1 322.369 -1.438 20 0 DAADMO C[N@H+](CCNC(=O)CCn1cnnn1)[C@H]1CCC(=O)NC1=O ZINC001266341774 775133638 /nfs/dbraw/zinc/13/36/38/775133638.db2.gz CEWJTMFHUMTOBM-VIFPVBQESA-N 1 1 309.330 -2.084 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)[C@H]1CCC(=O)NC1=O ZINC001266341774 775133645 /nfs/dbraw/zinc/13/36/45/775133645.db2.gz CEWJTMFHUMTOBM-VIFPVBQESA-N 1 1 309.330 -2.084 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@@H]1CCC(=O)NC1=O ZINC001266358113 775134574 /nfs/dbraw/zinc/13/45/74/775134574.db2.gz MONIJPTTWFZEJK-SECBINFHSA-N 1 1 324.337 -2.011 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@@H]1CCC(=O)NC1=O ZINC001266358113 775134577 /nfs/dbraw/zinc/13/45/77/775134577.db2.gz MONIJPTTWFZEJK-SECBINFHSA-N 1 1 324.337 -2.011 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001266357087 775134977 /nfs/dbraw/zinc/13/49/77/775134977.db2.gz NKBMMSSNERCNBR-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001266357087 775134992 /nfs/dbraw/zinc/13/49/92/775134992.db2.gz NKBMMSSNERCNBR-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(C[C@H]2NC(=O)CC(N)=O)CC1 ZINC001266367884 775135927 /nfs/dbraw/zinc/13/59/27/775135927.db2.gz ABACCGRZEIQABR-SNVBAGLBSA-N 1 1 317.411 -1.123 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCC1=O)[C@H]1CCC(=O)NC1=O ZINC001266374975 775136090 /nfs/dbraw/zinc/13/60/90/775136090.db2.gz JAYMAQXLBORZEY-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCC1=O)[C@@H]1CCC(=O)NC1=O ZINC001266374974 775136179 /nfs/dbraw/zinc/13/61/79/775136179.db2.gz JAYMAQXLBORZEY-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)[C@H]1CCC(=O)NC1=O ZINC001266386025 775137737 /nfs/dbraw/zinc/13/77/37/775137737.db2.gz OVUIPABSMNARGC-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)C[C@@H](O)COC ZINC001266396944 775139157 /nfs/dbraw/zinc/13/91/57/775139157.db2.gz ORMQQKWCCLSHMH-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@H]1CCC(=O)NC1=O ZINC001266425435 775140155 /nfs/dbraw/zinc/14/01/55/775140155.db2.gz ONPNEKYNGOOBOK-JTQLQIEISA-N 1 1 323.357 -1.694 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)C[C@H](O)CN1C(=O)CCC1=O ZINC001266412868 775140358 /nfs/dbraw/zinc/14/03/58/775140358.db2.gz CFNLMRNXLADIPN-VIFPVBQESA-N 1 1 314.342 -2.580 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)CC1(C)C ZINC001282787228 775141298 /nfs/dbraw/zinc/14/12/98/775141298.db2.gz UCIWFRVLDSILRH-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)CN(C)C1=O)C[C@H](C)O ZINC001266434783 775142669 /nfs/dbraw/zinc/14/26/69/775142669.db2.gz NYJDQYDBPGRVEG-JTQLQIEISA-N 1 1 300.359 -1.301 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1CCCNC1=O ZINC001266442165 775142737 /nfs/dbraw/zinc/14/27/37/775142737.db2.gz AGNCEDLLSYDHKP-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001266454518 775143593 /nfs/dbraw/zinc/14/35/93/775143593.db2.gz XTMUFWPMWNMDBK-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC001266480840 775144617 /nfs/dbraw/zinc/14/46/17/775144617.db2.gz ZAAJDDXOWHRVCN-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492796 775146781 /nfs/dbraw/zinc/14/67/81/775146781.db2.gz WYMCUSLNJLLNDP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492796 775146784 /nfs/dbraw/zinc/14/67/84/775146784.db2.gz WYMCUSLNJLLNDP-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492795 775146801 /nfs/dbraw/zinc/14/68/01/775146801.db2.gz WYMCUSLNJLLNDP-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492795 775146803 /nfs/dbraw/zinc/14/68/03/775146803.db2.gz WYMCUSLNJLLNDP-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001266518054 775148572 /nfs/dbraw/zinc/14/85/72/775148572.db2.gz SJIKFOBOPJHYGD-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266517044 775148754 /nfs/dbraw/zinc/14/87/54/775148754.db2.gz FIWSICVZVSZIII-BDAKNGLRSA-N 1 1 311.342 -2.231 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266527789 775149294 /nfs/dbraw/zinc/14/92/94/775149294.db2.gz DIFAGWYMJLNOFQ-UWVGGRQHSA-N 1 1 303.384 -1.656 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001266528284 775149365 /nfs/dbraw/zinc/14/93/65/775149365.db2.gz NBNAXVKNJWDMSL-GHMZBOCLSA-N 1 1 317.411 -1.265 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)o1 ZINC001167323661 775151592 /nfs/dbraw/zinc/15/15/92/775151592.db2.gz GNIHUKDZLQPHSE-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001125414279 775154847 /nfs/dbraw/zinc/15/48/47/775154847.db2.gz IKWLQENSOGNVPL-UHFFFAOYSA-N 1 1 323.357 -1.615 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001125419492 775156320 /nfs/dbraw/zinc/15/63/20/775156320.db2.gz HHDNWODXNMXKGJ-UHFFFAOYSA-N 1 1 310.358 -1.698 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001266575119 775156391 /nfs/dbraw/zinc/15/63/91/775156391.db2.gz CQKBEOZGYBGXKG-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1C(=O)CNC1=O)CC(=O)NC ZINC001266577800 775156935 /nfs/dbraw/zinc/15/69/35/775156935.db2.gz ZPMHFKVVPFQBML-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)CC(=O)NC ZINC001266577800 775156940 /nfs/dbraw/zinc/15/69/40/775156940.db2.gz ZPMHFKVVPFQBML-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO COc1nc(N2CCOCC2)nc(-n2cnc(C[NH3+])cc2=N)n1 ZINC001167354805 775157131 /nfs/dbraw/zinc/15/71/31/775157131.db2.gz DRODUEWSIPJXIG-UHFFFAOYSA-N 1 1 318.341 -1.159 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349996 775157164 /nfs/dbraw/zinc/15/71/64/775157164.db2.gz NWKHAAWHZKIOEH-UHFFFAOYSA-N 1 1 317.415 -1.013 20 0 DAADMO O=C(Cc1cnc[nH]1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001167350200 775157264 /nfs/dbraw/zinc/15/72/64/775157264.db2.gz QCIVIIZGEHZEGD-UHFFFAOYSA-N 1 1 322.369 -1.010 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001125419956 775157366 /nfs/dbraw/zinc/15/73/66/775157366.db2.gz WFWWESOZLRFIOL-NSHDSACASA-N 1 1 307.358 -1.299 20 0 DAADMO COCCOCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001266569515 775157530 /nfs/dbraw/zinc/15/75/30/775157530.db2.gz ACHCUAISBYZITM-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO C[C@@H](NC1CC[NH+](CCNC(=O)C(N)=O)CC1)c1nncn1C ZINC001279446912 775158438 /nfs/dbraw/zinc/15/84/38/775158438.db2.gz YZWNFEGUKHRDOC-SNVBAGLBSA-N 1 1 323.401 -1.468 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114947769 775158768 /nfs/dbraw/zinc/15/87/68/775158768.db2.gz QGVKKJIBERHMSF-MBTKJCJQSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114947769 775158774 /nfs/dbraw/zinc/15/87/74/775158774.db2.gz QGVKKJIBERHMSF-MBTKJCJQSA-N 1 1 306.326 -1.427 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001266604971 775160635 /nfs/dbraw/zinc/16/06/35/775160635.db2.gz WZYGLRZXRDHFJX-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001266604971 775160643 /nfs/dbraw/zinc/16/06/43/775160643.db2.gz WZYGLRZXRDHFJX-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001266604970 775161254 /nfs/dbraw/zinc/16/12/54/775161254.db2.gz WZYGLRZXRDHFJX-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001266604970 775161255 /nfs/dbraw/zinc/16/12/55/775161255.db2.gz WZYGLRZXRDHFJX-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCCC[NH2+]Cc1cnsn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001167388626 775162018 /nfs/dbraw/zinc/16/20/18/775162018.db2.gz UFQXOLLAZVOOKB-QMMMGPOBSA-N 1 1 312.355 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CCNS(C)(=O)=O ZINC001282945869 775162466 /nfs/dbraw/zinc/16/24/66/775162466.db2.gz FFOLXWNJPOFVAZ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001167388500 775162719 /nfs/dbraw/zinc/16/27/19/775162719.db2.gz RROMXPDHIWTRDP-QMMMGPOBSA-N 1 1 310.314 -1.428 20 0 DAADMO CN1C(=O)CN(CC(=O)NCC[N@@H+](CCCO)C2CC2)C1=O ZINC001266617305 775164007 /nfs/dbraw/zinc/16/40/07/775164007.db2.gz DEQSTYCCASBGMJ-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001087138542 775166336 /nfs/dbraw/zinc/16/63/36/775166336.db2.gz RKJUJYOHWKKEFA-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1nnc2n1CCOC2 ZINC001266644126 775166430 /nfs/dbraw/zinc/16/64/30/775166430.db2.gz DAWCXTTVZDLHGL-UHFFFAOYSA-N 1 1 324.385 -1.165 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149255830 775167951 /nfs/dbraw/zinc/16/79/51/775167951.db2.gz GUXVHFGBTLHBMZ-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149255830 775167961 /nfs/dbraw/zinc/16/79/61/775167961.db2.gz GUXVHFGBTLHBMZ-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](COC)OC)C1 ZINC001283047641 775170931 /nfs/dbraw/zinc/17/09/31/775170931.db2.gz LSSDOEMLYFCGKP-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](COC)OC)C1 ZINC001283047641 775170934 /nfs/dbraw/zinc/17/09/34/775170934.db2.gz LSSDOEMLYFCGKP-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767510 775177281 /nfs/dbraw/zinc/17/72/81/775177281.db2.gz OVTJBOVOFRYZQJ-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001098555771 775180834 /nfs/dbraw/zinc/18/08/34/775180834.db2.gz PLTVFUMUMZOXOY-LBPRGKRZSA-N 1 1 311.386 -1.056 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586440 775182853 /nfs/dbraw/zinc/18/28/53/775182853.db2.gz WSYAGIXFENTQTJ-BFVZDQMLSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)C1CC(=O)NC(=O)C1)c1nnnn1C ZINC001266888068 775186363 /nfs/dbraw/zinc/18/63/63/775186363.db2.gz LBODQMKFWBPXHB-MRVPVSSYSA-N 1 1 323.357 -1.628 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)[nH]n1 ZINC001125547312 775186610 /nfs/dbraw/zinc/18/66/10/775186610.db2.gz WGOJBMWVHJZNNA-UHFFFAOYSA-N 1 1 309.370 -1.175 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001266958977 775190001 /nfs/dbraw/zinc/19/00/01/775190001.db2.gz MYSVXBCUBXNVAJ-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+][C@@H](C)c1nncn1C ZINC001266991613 775192603 /nfs/dbraw/zinc/19/26/03/775192603.db2.gz NYVLMRGWRAYTNP-IUCAKERBSA-N 1 1 323.357 -1.478 20 0 DAADMO C[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001266991708 775192753 /nfs/dbraw/zinc/19/27/53/775192753.db2.gz QBGQIUOVTMMQPW-WPRPVWTQSA-N 1 1 323.357 -1.602 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001266998743 775192773 /nfs/dbraw/zinc/19/27/73/775192773.db2.gz OKAXEIBZYXFNLC-NXEZZACHSA-N 1 1 311.390 -1.048 20 0 DAADMO C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1cnn(C)n1 ZINC001266991707 775192827 /nfs/dbraw/zinc/19/28/27/775192827.db2.gz QBGQIUOVTMMQPW-WCBMZHEXSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnns1 ZINC001266991071 775192954 /nfs/dbraw/zinc/19/29/54/775192954.db2.gz DUBCDZSPEILYGL-ZETCQYMHSA-N 1 1 312.355 -1.316 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCC(N(CCO)CC(N)=O)CC2)C1 ZINC001098561206 775197662 /nfs/dbraw/zinc/19/76/62/775197662.db2.gz WUGAMAVCAXXOBV-LBPRGKRZSA-N 1 1 312.414 -1.291 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(N(CCO)CC(N)=O)CC2)C1 ZINC001098561206 775197669 /nfs/dbraw/zinc/19/76/69/775197669.db2.gz WUGAMAVCAXXOBV-LBPRGKRZSA-N 1 1 312.414 -1.291 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267065076 775199004 /nfs/dbraw/zinc/19/90/04/775199004.db2.gz PXXRPHVEGYOTGJ-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CN1C(=O)CCC1=O ZINC001267051809 775199010 /nfs/dbraw/zinc/19/90/10/775199010.db2.gz VTBPQMIGUCTIPE-UHFFFAOYSA-N 1 1 308.342 -1.488 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001267065077 775199837 /nfs/dbraw/zinc/19/98/37/775199837.db2.gz PXXRPHVEGYOTGJ-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001267088847 775202611 /nfs/dbraw/zinc/20/26/11/775202611.db2.gz CNKWYYPFLVRQFJ-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267111325 775204944 /nfs/dbraw/zinc/20/49/44/775204944.db2.gz NQDAZPKROKARAF-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267114487 775205377 /nfs/dbraw/zinc/20/53/77/775205377.db2.gz GPXSKXQPKYKTQX-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001267133911 775206906 /nfs/dbraw/zinc/20/69/06/775206906.db2.gz NUBLHMZHVBMRMM-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@H]1CCNC(=O)C1 ZINC001125615217 775208386 /nfs/dbraw/zinc/20/83/86/775208386.db2.gz BXRGIGZWPUVAEU-JTQLQIEISA-N 1 1 312.349 -1.020 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001267194312 775210548 /nfs/dbraw/zinc/21/05/48/775210548.db2.gz NEYVEULNUGJGEY-VIFPVBQESA-N 1 1 308.342 -1.491 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267186587 775210862 /nfs/dbraw/zinc/21/08/62/775210862.db2.gz FUNDNTBVDWJKCS-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267186587 775210875 /nfs/dbraw/zinc/21/08/75/775210875.db2.gz FUNDNTBVDWJKCS-JTQLQIEISA-N 1 1 310.354 -1.634 20 0 DAADMO Cc1ccnc(C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)n1 ZINC001267193142 775210899 /nfs/dbraw/zinc/21/08/99/775210899.db2.gz MTNWJNDKYJZRGD-UHFFFAOYSA-N 1 1 320.353 -1.002 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CCN1C(=O)CCC1=O ZINC001267192589 775211349 /nfs/dbraw/zinc/21/13/49/775211349.db2.gz QZHAJRMZSBDNKJ-NSHDSACASA-N 1 1 324.381 -1.290 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001267199022 775212228 /nfs/dbraw/zinc/21/22/28/775212228.db2.gz GYANEHFTBBPUSV-GHMZBOCLSA-N 1 1 315.370 -1.421 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198803 775213120 /nfs/dbraw/zinc/21/31/20/775213120.db2.gz BWIGKOJQYXXJLG-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198803 775213127 /nfs/dbraw/zinc/21/31/27/775213127.db2.gz BWIGKOJQYXXJLG-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001267221426 775215342 /nfs/dbraw/zinc/21/53/42/775215342.db2.gz IDAJVCHSKFIMFJ-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001267221426 775215348 /nfs/dbraw/zinc/21/53/48/775215348.db2.gz IDAJVCHSKFIMFJ-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CC[N@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1cncn1C ZINC001267255148 775219813 /nfs/dbraw/zinc/21/98/13/775219813.db2.gz RSVSVAGVTKTBQW-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1cncn1C ZINC001267255148 775219820 /nfs/dbraw/zinc/21/98/20/775219820.db2.gz RSVSVAGVTKTBQW-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267285648 775221686 /nfs/dbraw/zinc/22/16/86/775221686.db2.gz LYNPVCRFDFJIOW-GHMZBOCLSA-N 1 1 310.354 -1.634 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001267279981 775222743 /nfs/dbraw/zinc/22/27/43/775222743.db2.gz PGXHAQZQCSANKX-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001267279981 775222749 /nfs/dbraw/zinc/22/27/49/775222749.db2.gz PGXHAQZQCSANKX-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)cc1=O ZINC001267296511 775223569 /nfs/dbraw/zinc/22/35/69/775223569.db2.gz PBDVCFQMEHVBEO-LBPRGKRZSA-N 1 1 324.381 -1.159 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267307067 775225313 /nfs/dbraw/zinc/22/53/13/775225313.db2.gz KWRCCSBCTVTYIY-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO CS(=O)(=O)CC1(C[N@H+]2CC[C@H](CNC(=O)C(N)=O)C2)CC1 ZINC001267302111 775226286 /nfs/dbraw/zinc/22/62/86/775226286.db2.gz LZLLVVBQLPIVMC-SNVBAGLBSA-N 1 1 317.411 -1.265 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)no1 ZINC001267306961 775226309 /nfs/dbraw/zinc/22/63/09/775226309.db2.gz ZUKSCRZSZKTBOE-VIFPVBQESA-N 1 1 309.326 -1.155 20 0 DAADMO CCCn1nnnc1C[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001267354458 775231161 /nfs/dbraw/zinc/23/11/61/775231161.db2.gz NJIGRROZFJFFKN-SNVBAGLBSA-N 1 1 309.374 -1.090 20 0 DAADMO NC(=O)CCCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098582491 775234975 /nfs/dbraw/zinc/23/49/75/775234975.db2.gz SNXUKJQEMRGNBS-UHFFFAOYSA-N 1 1 314.386 -1.587 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(N)=O)C2 ZINC001111771408 775235096 /nfs/dbraw/zinc/23/50/96/775235096.db2.gz DCHNVJZLZKMFCF-BFVZDQMLSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(CC[NH2+]Cc1ccn(C)n1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001267386570 775235557 /nfs/dbraw/zinc/23/55/57/775235557.db2.gz MMIBZQCNKMHTAY-JTQLQIEISA-N 1 1 308.342 -1.434 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)c1ccc(F)nc1 ZINC001279672663 775237510 /nfs/dbraw/zinc/23/75/10/775237510.db2.gz KVNDQXSTJAMFKJ-UHFFFAOYSA-N 1 1 323.332 -1.032 20 0 DAADMO Cc1ccn(CC(=O)N(C)CC[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001267433576 775239375 /nfs/dbraw/zinc/23/93/75/775239375.db2.gz KJGOMWRDZUZBTH-UHFFFAOYSA-N 1 1 319.369 -1.072 20 0 DAADMO COc1ccc(C(=O)N(C)CC[NH2+]Cc2nnnn2C)nn1 ZINC001267451442 775240350 /nfs/dbraw/zinc/24/03/50/775240350.db2.gz DNVLNEDCCSOHNV-UHFFFAOYSA-N 1 1 306.330 -1.130 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087270817 775242261 /nfs/dbraw/zinc/24/22/61/775242261.db2.gz HEDCRAJYYNPWMV-WQAKAFBOSA-N 1 1 321.385 -1.236 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798411 775242400 /nfs/dbraw/zinc/24/24/00/775242400.db2.gz GLSQZMREJPPTTP-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798411 775242406 /nfs/dbraw/zinc/24/24/06/775242406.db2.gz GLSQZMREJPPTTP-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267466862 775243090 /nfs/dbraw/zinc/24/30/90/775243090.db2.gz UWEDAQDQAQRQDD-JTQLQIEISA-N 1 1 323.357 -1.649 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)c1ccc(=O)n(C)n1 ZINC001267465638 775243353 /nfs/dbraw/zinc/24/33/53/775243353.db2.gz LMMXVFUYEUZNQN-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001267466778 775243886 /nfs/dbraw/zinc/24/38/86/775243886.db2.gz TWYFSDJDHXATEG-UHFFFAOYSA-N 1 1 310.314 -1.522 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267470785 775244451 /nfs/dbraw/zinc/24/44/51/775244451.db2.gz MILNTGWOJUYSLL-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114944740 775245696 /nfs/dbraw/zinc/24/56/96/775245696.db2.gz IIBAMMHCXDTSLI-HBYGRHMLSA-N 1 1 308.382 -1.257 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267502354 775247154 /nfs/dbraw/zinc/24/71/54/775247154.db2.gz SCERWIHVZADXQH-NEPJUHHUSA-N 1 1 324.381 -1.244 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)n1 ZINC001087299337 775248000 /nfs/dbraw/zinc/24/80/00/775248000.db2.gz UJRKCDCSRBAPRE-GDPRMGEGSA-N 1 1 321.385 -1.086 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)n1 ZINC001087299337 775248009 /nfs/dbraw/zinc/24/80/09/775248009.db2.gz UJRKCDCSRBAPRE-GDPRMGEGSA-N 1 1 321.385 -1.086 20 0 DAADMO CN(CCCNC(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001283640183 775248994 /nfs/dbraw/zinc/24/89/94/775248994.db2.gz YIQHQCSYFLQSGR-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001279703798 775249502 /nfs/dbraw/zinc/24/95/02/775249502.db2.gz LWYIBFJWMSVITJ-SNVBAGLBSA-N 1 1 308.338 -1.727 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001279703798 775249508 /nfs/dbraw/zinc/24/95/08/775249508.db2.gz LWYIBFJWMSVITJ-SNVBAGLBSA-N 1 1 308.338 -1.727 20 0 DAADMO Cc1nnc(CC(=O)N(CCO)CC[NH2+]Cc2ncnn2C)o1 ZINC001279704480 775249597 /nfs/dbraw/zinc/24/95/97/775249597.db2.gz BZFILMDRIOXQBE-UHFFFAOYSA-N 1 1 323.357 -1.340 20 0 DAADMO NC(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267554580 775250597 /nfs/dbraw/zinc/25/05/97/775250597.db2.gz INXRRWGBWOHVFT-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO CCn1cc(C[NH2+]CCN(CCO)C(=O)c2cn(C)nn2)nn1 ZINC001279705603 775250938 /nfs/dbraw/zinc/25/09/38/775250938.db2.gz ZHHQOZOSAHDJDT-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267566259 775250993 /nfs/dbraw/zinc/25/09/93/775250993.db2.gz CEMRNGDLHWZMQJ-JTQLQIEISA-N 1 1 324.381 -1.387 20 0 DAADMO C[C@@H](C[N@H+]1CC[C@H](CCNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001267563620 775251154 /nfs/dbraw/zinc/25/11/54/775251154.db2.gz CAVZSUMSOFLLNI-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267584079 775252932 /nfs/dbraw/zinc/25/29/32/775252932.db2.gz BYMWWLJKDNREBL-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267584080 775252986 /nfs/dbraw/zinc/25/29/86/775252986.db2.gz BYMWWLJKDNREBL-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](C)O)C2 ZINC001111988761 775254740 /nfs/dbraw/zinc/25/47/40/775254740.db2.gz RJDYXZKQVMSYER-MDZLAQPJSA-N 1 1 319.427 -1.113 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001279724509 775255970 /nfs/dbraw/zinc/25/59/70/775255970.db2.gz KFNCFNZZOPYTOB-NSHDSACASA-N 1 1 324.385 -1.796 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001283712505 775258782 /nfs/dbraw/zinc/25/87/82/775258782.db2.gz CNQPIMMCZJUPIZ-QMMMGPOBSA-N 1 1 310.314 -1.442 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)n1 ZINC001087381360 775259795 /nfs/dbraw/zinc/25/97/95/775259795.db2.gz HJWDAZVLJRIHSZ-QCNOEVLYSA-N 1 1 306.370 -1.015 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC(N)=O)n1 ZINC001087380722 775259811 /nfs/dbraw/zinc/25/98/11/775259811.db2.gz YBFRNOMQBBZRJX-VLEAKVRGSA-N 1 1 319.369 -1.522 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098604298 775260485 /nfs/dbraw/zinc/26/04/85/775260485.db2.gz LRWJDWMKWHWDPM-MFKMUULPSA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098604299 775260602 /nfs/dbraw/zinc/26/06/02/775260602.db2.gz LRWJDWMKWHWDPM-ZWNOBZJWSA-N 1 1 324.385 -1.342 20 0 DAADMO COCCOCCN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267641031 775260808 /nfs/dbraw/zinc/26/08/08/775260808.db2.gz SOSIXUXODJJYCC-ZDUSSCGKSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCOCCN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267641031 775260815 /nfs/dbraw/zinc/26/08/15/775260815.db2.gz SOSIXUXODJJYCC-ZDUSSCGKSA-N 1 1 301.387 -1.220 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098604296 775261254 /nfs/dbraw/zinc/26/12/54/775261254.db2.gz LRWJDWMKWHWDPM-GWCFXTLKSA-N 1 1 324.385 -1.342 20 0 DAADMO CCOCCC[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001267668950 775264974 /nfs/dbraw/zinc/26/49/74/775264974.db2.gz CIISKDUZEYXRJH-NSHDSACASA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(CN1CCCC1=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267674834 775266018 /nfs/dbraw/zinc/26/60/18/775266018.db2.gz IMCWSPYZYTXRMC-LLVKDONJSA-N 1 1 322.365 -1.538 20 0 DAADMO CN(C)C(=O)C[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001267688247 775267471 /nfs/dbraw/zinc/26/74/71/775267471.db2.gz HIKYZMRWYRHJLP-UHFFFAOYSA-N 1 1 306.313 -1.496 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087385894 775267524 /nfs/dbraw/zinc/26/75/24/775267524.db2.gz DNXKUKYWXADZFL-RVMXOQNASA-N 1 1 318.381 -1.068 20 0 DAADMO CC(C)(C)C(=O)C(=O)NC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC001283746442 775268404 /nfs/dbraw/zinc/26/84/04/775268404.db2.gz NJMSERQQLQAXQW-VIFPVBQESA-N 1 1 308.400 -1.287 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCNC1=O ZINC001267712309 775270015 /nfs/dbraw/zinc/27/00/15/775270015.db2.gz OHOORBHZBLGZBG-JUFZMCDQSA-N 1 1 311.382 -1.195 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267710954 775270110 /nfs/dbraw/zinc/27/01/10/775270110.db2.gz FCQFLHVOVVHYEV-AVGNSLFASA-N 1 1 311.382 -1.099 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267710954 775270115 /nfs/dbraw/zinc/27/01/15/775270115.db2.gz FCQFLHVOVVHYEV-AVGNSLFASA-N 1 1 311.382 -1.099 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267722762 775271216 /nfs/dbraw/zinc/27/12/16/775271216.db2.gz LDOBRLORCLJUOS-QWRGUYRKSA-N 1 1 313.354 -1.355 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267722762 775271223 /nfs/dbraw/zinc/27/12/23/775271223.db2.gz LDOBRLORCLJUOS-QWRGUYRKSA-N 1 1 313.354 -1.355 20 0 DAADMO COc1ccc(OC)c(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001143503029 775271962 /nfs/dbraw/zinc/27/19/62/775271962.db2.gz ZMTQKWLZSNRTNV-SOUVJXGZSA-N 1 1 321.381 -1.235 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001267737775 775274258 /nfs/dbraw/zinc/27/42/58/775274258.db2.gz BXCIDLIPHYSPDH-LLVKDONJSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001267737775 775274261 /nfs/dbraw/zinc/27/42/61/775274261.db2.gz BXCIDLIPHYSPDH-LLVKDONJSA-N 1 1 317.411 -1.123 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098607757 775275969 /nfs/dbraw/zinc/27/59/69/775275969.db2.gz DPEURHXYKAYGQW-NSHDSACASA-N 1 1 321.345 -2.180 20 0 DAADMO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001283814863 775278342 /nfs/dbraw/zinc/27/83/42/775278342.db2.gz IUXKOWJDOHKBIH-SNVBAGLBSA-N 1 1 300.359 -2.285 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CCOCC2)n1C ZINC001125890177 775280003 /nfs/dbraw/zinc/28/00/03/775280003.db2.gz HFNKHGNMTKCIDB-UHFFFAOYSA-N 1 1 310.402 -1.085 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267771458 775280096 /nfs/dbraw/zinc/28/00/96/775280096.db2.gz GUIAJFPZDJQWLP-UWVGGRQHSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267771458 775280111 /nfs/dbraw/zinc/28/01/11/775280111.db2.gz GUIAJFPZDJQWLP-UWVGGRQHSA-N 1 1 322.365 -1.410 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125890269 775281107 /nfs/dbraw/zinc/28/11/07/775281107.db2.gz IJPAQAYGQHHHIY-UHFFFAOYSA-N 1 1 311.390 -1.208 20 0 DAADMO CC[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001267828890 775284201 /nfs/dbraw/zinc/28/42/01/775284201.db2.gz IUHQVKCXFUBCRW-SNVBAGLBSA-N 1 1 322.369 -1.052 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001267860150 775287011 /nfs/dbraw/zinc/28/70/11/775287011.db2.gz RWTUBKDUOOXYNL-IINYFYTJSA-N 1 1 321.385 -1.279 20 0 DAADMO COCC(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105120240 775287052 /nfs/dbraw/zinc/28/70/52/775287052.db2.gz XLWVRQHPDSFXTH-UHFFFAOYSA-N 1 1 320.357 -1.311 20 0 DAADMO CC(=O)N1CC(n2cc(C[NH2+]CCN3C(=O)CNC3=O)nn2)C1 ZINC001105129110 775288236 /nfs/dbraw/zinc/28/82/36/775288236.db2.gz OTFSNJZEUDQKEY-UHFFFAOYSA-N 1 1 321.341 -1.677 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 ZINC001105225451 775291966 /nfs/dbraw/zinc/29/19/66/775291966.db2.gz SPQUKCQHFOCELL-UHFFFAOYSA-N 1 1 320.357 -1.160 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105225065 775292187 /nfs/dbraw/zinc/29/21/87/775292187.db2.gz IWHDEZZOOOLMJB-JTQLQIEISA-N 1 1 310.314 -2.148 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105215679 775292215 /nfs/dbraw/zinc/29/22/15/775292215.db2.gz FUDHRGFUPNGMIH-UHFFFAOYSA-N 1 1 322.329 -2.259 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105221552 775293021 /nfs/dbraw/zinc/29/30/21/775293021.db2.gz NLZWITIIXSBIKC-QMMMGPOBSA-N 1 1 311.346 -2.200 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001105230763 775295026 /nfs/dbraw/zinc/29/50/26/775295026.db2.gz WUANEXCJYIBTFG-UHFFFAOYSA-N 1 1 320.357 -1.160 20 0 DAADMO CN1C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CC1=O ZINC001105253966 775297339 /nfs/dbraw/zinc/29/73/39/775297339.db2.gz LPGRLOHHBFZIOD-SNVBAGLBSA-N 1 1 322.369 -1.778 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105247223 775298061 /nfs/dbraw/zinc/29/80/61/775298061.db2.gz VCDMNOJHPIAOCG-SNVBAGLBSA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1nnc2n1CCOC2)n1cncn1 ZINC001125929438 775298142 /nfs/dbraw/zinc/29/81/42/775298142.db2.gz BILCZWAUCKUMKZ-JTQLQIEISA-N 1 1 320.357 -1.133 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001267954416 775299979 /nfs/dbraw/zinc/29/99/79/775299979.db2.gz PMZOCJVBGOGFLO-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO Cc1conc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001279809702 775300025 /nfs/dbraw/zinc/30/00/25/775300025.db2.gz KWLTYOHZAIBGQR-NSHDSACASA-N 1 1 311.342 -1.425 20 0 DAADMO Cc1conc1C[NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001279809701 775300556 /nfs/dbraw/zinc/30/05/56/775300556.db2.gz KWLTYOHZAIBGQR-LLVKDONJSA-N 1 1 311.342 -1.425 20 0 DAADMO CN1C[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)NC1=O ZINC001105296888 775301668 /nfs/dbraw/zinc/30/16/68/775301668.db2.gz AXGUSLFEHLBNOV-LLVKDONJSA-N 1 1 323.357 -2.233 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 ZINC001105300693 775302190 /nfs/dbraw/zinc/30/21/90/775302190.db2.gz APTSHMAJBLMRDC-JTQLQIEISA-N 1 1 324.385 -1.091 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCNC3=O)C2)nn1 ZINC001105297471 775303125 /nfs/dbraw/zinc/30/31/25/775303125.db2.gz NYVLRJIWWPYHTJ-LBPRGKRZSA-N 1 1 322.369 -1.467 20 0 DAADMO O=C(N1CC(n2cc(C[NH2+]CCO)nn2)C1)[C@@]1(F)CCOC1 ZINC001105312659 775304493 /nfs/dbraw/zinc/30/44/93/775304493.db2.gz WXWQRZINZJMWIQ-CYBMUJFWSA-N 1 1 313.333 -1.128 20 0 DAADMO O=C(Cc1cnoc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105312560 775304587 /nfs/dbraw/zinc/30/45/87/775304587.db2.gz RQKMXVSDKZJOEO-UHFFFAOYSA-N 1 1 306.326 -1.026 20 0 DAADMO Cn1cc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)[nH]c1=O ZINC001105317422 775306450 /nfs/dbraw/zinc/30/64/50/775306450.db2.gz XRFSEHFJNGBVJJ-UHFFFAOYSA-N 1 1 321.341 -1.504 20 0 DAADMO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCn3cccn3)nn2)C1 ZINC001105315638 775306673 /nfs/dbraw/zinc/30/66/73/775306673.db2.gz YFJOBFMPJSNTIY-UHFFFAOYSA-N 1 1 318.341 -1.867 20 0 DAADMO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCC(=O)N1 ZINC001105322561 775306760 /nfs/dbraw/zinc/30/67/60/775306760.db2.gz VPMVBPTWYJJDSN-AWEZNQCLSA-N 1 1 322.369 -1.588 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105330171 775308915 /nfs/dbraw/zinc/30/89/15/775308915.db2.gz SLCLAZKGFTVIKQ-UHFFFAOYSA-N 1 1 320.357 -1.506 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125960871 775313433 /nfs/dbraw/zinc/31/34/33/775313433.db2.gz QBRVAFHHRJXUSQ-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001125959870 775313808 /nfs/dbraw/zinc/31/38/08/775313808.db2.gz CIUXNQWHVHZGRX-NSHDSACASA-N 1 1 309.374 -1.456 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CCS(C)(=O)=O ZINC001268008187 775314854 /nfs/dbraw/zinc/31/48/54/775314854.db2.gz FQEDQMZEYDMEBB-VIFPVBQESA-N 1 1 303.388 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCOCCO)CCO1 ZINC001268019017 775316587 /nfs/dbraw/zinc/31/65/87/775316587.db2.gz OKAKANUWUORUOY-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+](CCCO[C@@H]2CCOC2)CCO1 ZINC001268026072 775324200 /nfs/dbraw/zinc/32/42/00/775324200.db2.gz HAPLKVZXVHCLJL-NEPJUHHUSA-N 1 1 315.370 -1.516 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCCO[C@@H]2CCOC2)CCO1 ZINC001268026072 775324213 /nfs/dbraw/zinc/32/42/13/775324213.db2.gz HAPLKVZXVHCLJL-NEPJUHHUSA-N 1 1 315.370 -1.516 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024950 775325387 /nfs/dbraw/zinc/32/53/87/775325387.db2.gz NBWMYCUUEZVWPX-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001268024950 775325394 /nfs/dbraw/zinc/32/53/94/775325394.db2.gz NBWMYCUUEZVWPX-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001268028268 775325725 /nfs/dbraw/zinc/32/57/25/775325725.db2.gz BMCNQIYCBSFBQJ-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001268028268 775325735 /nfs/dbraw/zinc/32/57/35/775325735.db2.gz BMCNQIYCBSFBQJ-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100849929 775327304 /nfs/dbraw/zinc/32/73/04/775327304.db2.gz FXAXGUCSXMZZNT-UHFFFAOYSA-N 1 1 321.385 -1.143 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001268028270 775327767 /nfs/dbraw/zinc/32/77/67/775327767.db2.gz BMCNQIYCBSFBQJ-QWRGUYRKSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001268028270 775327777 /nfs/dbraw/zinc/32/77/77/775327777.db2.gz BMCNQIYCBSFBQJ-QWRGUYRKSA-N 1 1 313.354 -1.761 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H](C)NC(N)=O ZINC001126195052 775332443 /nfs/dbraw/zinc/33/24/43/775332443.db2.gz MZFUPZKDMLBBLN-VIFPVBQESA-N 1 1 312.378 -1.264 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001126198637 775334273 /nfs/dbraw/zinc/33/42/73/775334273.db2.gz DPCYRUULWXTHER-QMMMGPOBSA-N 1 1 301.326 -1.490 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098631286 775337331 /nfs/dbraw/zinc/33/73/31/775337331.db2.gz TZHRFZOAMMVMEY-VHSXEESVSA-N 1 1 312.370 -1.573 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001098631285 775337690 /nfs/dbraw/zinc/33/76/90/775337690.db2.gz TZHRFZOAMMVMEY-UWVGGRQHSA-N 1 1 312.370 -1.573 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1 ZINC001126287729 775341630 /nfs/dbraw/zinc/34/16/30/775341630.db2.gz QWUPZVLCGAFBGK-UHFFFAOYSA-N 1 1 307.358 -1.308 20 0 DAADMO O=C(c1ccncn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105347725 775341699 /nfs/dbraw/zinc/34/16/99/775341699.db2.gz MLZCLJSPPDYQEN-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO Cn1oc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)cc1=O ZINC001126292378 775342065 /nfs/dbraw/zinc/34/20/65/775342065.db2.gz SQHFDNCYICNINY-UHFFFAOYSA-N 1 1 322.325 -1.380 20 0 DAADMO O=C(CCn1cnnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105348141 775343906 /nfs/dbraw/zinc/34/39/06/775343906.db2.gz WJISAPGDJBNHJR-UHFFFAOYSA-N 1 1 321.345 -2.180 20 0 DAADMO CCn1cc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)nn1 ZINC001105351697 775344186 /nfs/dbraw/zinc/34/41/86/775344186.db2.gz GKRUBFYDIMHDMV-UHFFFAOYSA-N 1 1 320.357 -1.332 20 0 DAADMO Cc1nonc1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105352124 775345615 /nfs/dbraw/zinc/34/56/15/775345615.db2.gz QKEUFJRGXQBMET-UHFFFAOYSA-N 1 1 321.341 -1.323 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268102388 775347359 /nfs/dbraw/zinc/34/73/59/775347359.db2.gz TUNGZLKMSWJCDT-ZJUUUORDSA-N 1 1 322.369 -1.196 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001268158601 775348164 /nfs/dbraw/zinc/34/81/64/775348164.db2.gz AGUUHPPWMBUDKX-NSHDSACASA-N 1 1 303.359 -1.068 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136757 775349544 /nfs/dbraw/zinc/34/95/44/775349544.db2.gz LACPMTOHORTIJC-QWRGUYRKSA-N 1 1 302.375 -1.103 20 0 DAADMO CC(C)[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001268226751 775351915 /nfs/dbraw/zinc/35/19/15/775351915.db2.gz MRKHVRGUVMDRRV-JTQLQIEISA-N 1 1 324.341 -1.148 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CCn1cncn1 ZINC001268230015 775352259 /nfs/dbraw/zinc/35/22/59/775352259.db2.gz FKRPUNSWUFQBSG-NSHDSACASA-N 1 1 322.369 -1.136 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CCn1cncn1 ZINC001268230015 775352269 /nfs/dbraw/zinc/35/22/69/775352269.db2.gz FKRPUNSWUFQBSG-NSHDSACASA-N 1 1 322.369 -1.136 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001268232688 775352731 /nfs/dbraw/zinc/35/27/31/775352731.db2.gz JTLOHKOHQXLZOL-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268238290 775353122 /nfs/dbraw/zinc/35/31/22/775353122.db2.gz DZSWZCUSRDZGAH-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)NC(C)(C)C)C(=O)C(N)=O ZINC001268246721 775354641 /nfs/dbraw/zinc/35/46/41/775354641.db2.gz BVYDLWVNDBWPLE-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268258889 775355389 /nfs/dbraw/zinc/35/53/89/775355389.db2.gz HZEQCTHQXHSOCD-JTQLQIEISA-N 1 1 312.370 -1.482 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268258889 775355393 /nfs/dbraw/zinc/35/53/93/775355393.db2.gz HZEQCTHQXHSOCD-JTQLQIEISA-N 1 1 312.370 -1.482 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O)C(=O)C(N)=O ZINC001268247643 775355720 /nfs/dbraw/zinc/35/57/20/775355720.db2.gz SXGQESLIDBMHIV-VIFPVBQESA-N 1 1 314.342 -2.628 20 0 DAADMO CCn1cc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)nn1 ZINC001098516573 775357318 /nfs/dbraw/zinc/35/73/18/775357318.db2.gz XOISLTBBHUKSLP-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001268294972 775357433 /nfs/dbraw/zinc/35/74/33/775357433.db2.gz JWLIGBQQESXYDN-GFCCVEGCSA-N 1 1 306.326 -1.671 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)N1C(=O)CCC1=O ZINC001268307956 775361026 /nfs/dbraw/zinc/36/10/26/775361026.db2.gz XDTFVWRKVOVKNC-KOLCDFICSA-N 1 1 324.337 -1.221 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CCn2cncn2)n[nH]1 ZINC001268306513 775362347 /nfs/dbraw/zinc/36/23/47/775362347.db2.gz XDYMSUOAZBNPQQ-SNVBAGLBSA-N 1 1 308.346 -1.986 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001268305105 775363239 /nfs/dbraw/zinc/36/32/39/775363239.db2.gz QCSUYGUSOVSAIR-SECBINFHSA-N 1 1 319.387 -2.233 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268311768 775364464 /nfs/dbraw/zinc/36/44/64/775364464.db2.gz OUUUSQLEYDFAFN-IUCAKERBSA-N 1 1 311.346 -2.697 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001268307678 775364495 /nfs/dbraw/zinc/36/44/95/775364495.db2.gz HQQQPFNVDBIPQV-QJPTWQEYSA-N 1 1 319.369 -1.128 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F ZINC001268313448 775364966 /nfs/dbraw/zinc/36/49/66/775364966.db2.gz DQQJLZBSMASKOG-SSDOTTSWSA-N 1 1 320.300 -2.237 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268311767 775365667 /nfs/dbraw/zinc/36/56/67/775365667.db2.gz OUUUSQLEYDFAFN-DTWKUNHWSA-N 1 1 311.346 -2.697 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)o1 ZINC001268316186 775366437 /nfs/dbraw/zinc/36/64/37/775366437.db2.gz IHZUIBGDNFDMHX-MWLCHTKSSA-N 1 1 310.354 -1.060 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CCNC1=O ZINC001268322339 775370468 /nfs/dbraw/zinc/37/04/68/775370468.db2.gz JDJMJOOOUXYIAO-PRHODGIISA-N 1 1 313.383 -1.369 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)CCNC1=O ZINC001268322341 775370561 /nfs/dbraw/zinc/37/05/61/775370561.db2.gz JDJMJOOOUXYIAO-QPUJVOFHSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001268326002 775371028 /nfs/dbraw/zinc/37/10/28/775371028.db2.gz VLERORJZLCOQMK-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001268325311 775371678 /nfs/dbraw/zinc/37/16/78/775371678.db2.gz DPAJVLCVSOUHKT-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC2CC2)[nH]1 ZINC001268327934 775372231 /nfs/dbraw/zinc/37/22/31/775372231.db2.gz UOQKFUPAUIDYPY-JTQLQIEISA-N 1 1 310.358 -1.794 20 0 DAADMO C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001268410161 775382015 /nfs/dbraw/zinc/38/20/15/775382015.db2.gz XORGANDXKVFOMC-VIFPVBQESA-N 1 1 323.357 -1.155 20 0 DAADMO C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001268410161 775382021 /nfs/dbraw/zinc/38/20/21/775382021.db2.gz XORGANDXKVFOMC-VIFPVBQESA-N 1 1 323.357 -1.155 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001211752651 775387648 /nfs/dbraw/zinc/38/76/48/775387648.db2.gz VNNACMOKNKZCKP-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1OC ZINC001211752651 775387659 /nfs/dbraw/zinc/38/76/59/775387659.db2.gz VNNACMOKNKZCKP-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001211751688 775388566 /nfs/dbraw/zinc/38/85/66/775388566.db2.gz DXEDPSDLESAFDR-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1OC ZINC001211751688 775388578 /nfs/dbraw/zinc/38/85/78/775388578.db2.gz DXEDPSDLESAFDR-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CCN(CC[NH2+]Cc1nccn1C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268481236 775389203 /nfs/dbraw/zinc/38/92/03/775389203.db2.gz VVUNOHVRRYYFHA-JTQLQIEISA-N 1 1 322.369 -1.044 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138039 775390368 /nfs/dbraw/zinc/39/03/68/775390368.db2.gz STPPWSSJAOZICR-RKDXNWHRSA-N 1 1 301.347 -2.264 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138039 775390374 /nfs/dbraw/zinc/39/03/74/775390374.db2.gz STPPWSSJAOZICR-RKDXNWHRSA-N 1 1 301.347 -2.264 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211776581 775391913 /nfs/dbraw/zinc/39/19/13/775391913.db2.gz NRADKLGLXKUVDH-QJPTWQEYSA-N 1 1 303.359 -2.055 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212178153 775392401 /nfs/dbraw/zinc/39/24/01/775392401.db2.gz KINYGXRUBZGYDJ-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212178153 775392406 /nfs/dbraw/zinc/39/24/06/775392406.db2.gz KINYGXRUBZGYDJ-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO O=C(Cn1cncn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105371019 775401817 /nfs/dbraw/zinc/40/18/17/775401817.db2.gz GMZUFRVYNDYQGE-UHFFFAOYSA-N 1 1 306.330 -1.965 20 0 DAADMO C[NH+](C)CC1(C(=O)NC/C=C\CNCC(=O)NC(N)=O)CC1 ZINC001268584739 775402049 /nfs/dbraw/zinc/40/20/49/775402049.db2.gz ZOAAWOIJEBHKPU-ARJAWSKDSA-N 1 1 311.386 -1.215 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833791 775403563 /nfs/dbraw/zinc/40/35/63/775403563.db2.gz MWVCEGQLGFOHFW-OPRDCNLKSA-N 1 1 304.347 -2.523 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833543 775403721 /nfs/dbraw/zinc/40/37/21/775403721.db2.gz DBXGVRQAIOXSLR-QJPTWQEYSA-N 1 1 314.386 -1.103 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211833923 775404020 /nfs/dbraw/zinc/40/40/20/775404020.db2.gz SZFOSBPTHHWDSV-GHMZBOCLSA-N 1 1 318.374 -1.867 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)Cn3cncn3)C2)nn1 ZINC001105371515 775404229 /nfs/dbraw/zinc/40/42/29/775404229.db2.gz QFMYKKBHYBIJNI-UHFFFAOYSA-N 1 1 320.357 -1.311 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833892 775405234 /nfs/dbraw/zinc/40/52/34/775405234.db2.gz RKZBAOCWQPPACT-QJPTWQEYSA-N 1 1 314.386 -1.103 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CC=CCNC(=O)C1=NC(=O)N(C)C1 ZINC001268587129 775405248 /nfs/dbraw/zinc/40/52/48/775405248.db2.gz HFHMWDZFEGCXRG-ONEGZZNKSA-N 1 1 324.341 -1.543 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CNC(N)=O ZINC001211836375 775406022 /nfs/dbraw/zinc/40/60/22/775406022.db2.gz YYYOTSAPPKLWOV-NXEZZACHSA-N 1 1 311.346 -2.238 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CNC(N)=O ZINC001211836375 775406028 /nfs/dbraw/zinc/40/60/28/775406028.db2.gz YYYOTSAPPKLWOV-NXEZZACHSA-N 1 1 311.346 -2.238 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098680771 775406119 /nfs/dbraw/zinc/40/61/19/775406119.db2.gz JLRLMINVOHFQLM-LBPRGKRZSA-N 1 1 320.357 -1.575 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCCO)nn3)C2)C1 ZINC001105372835 775407218 /nfs/dbraw/zinc/40/72/18/775407218.db2.gz ZIGOUTTUEICABE-NSHDSACASA-N 1 1 308.386 -1.305 20 0 DAADMO O=C(Cc1nnc[nH]1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268613771 775408426 /nfs/dbraw/zinc/40/84/26/775408426.db2.gz ICEGXVZJCFSNII-VWCDRPFISA-N 1 1 306.326 -1.586 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2ncn[nH]2)CCO1 ZINC001268607582 775408530 /nfs/dbraw/zinc/40/85/30/775408530.db2.gz SGZIEIYNPSHOSR-VUDBWIFFSA-N 1 1 322.369 -1.072 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2nc[nH]n2)CCO1 ZINC001268607582 775408532 /nfs/dbraw/zinc/40/85/32/775408532.db2.gz SGZIEIYNPSHOSR-VUDBWIFFSA-N 1 1 322.369 -1.072 20 0 DAADMO O=C(Cc1nnc[nH]1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268613770 775408571 /nfs/dbraw/zinc/40/85/71/775408571.db2.gz ICEGXVZJCFSNII-JKERVTFKSA-N 1 1 306.326 -1.586 20 0 DAADMO Cc1nonc1CC(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268606241 775408701 /nfs/dbraw/zinc/40/87/01/775408701.db2.gz NNDHYVIWHXZCBD-ONEGZZNKSA-N 1 1 321.341 -1.195 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1ncn[nH]1)NC1CCOCC1 ZINC001268604514 775409117 /nfs/dbraw/zinc/40/91/17/775409117.db2.gz BSRXEHRRBXKEJP-UPHRSURJSA-N 1 1 322.369 -1.025 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1nc[nH]n1)NC1CCOCC1 ZINC001268604514 775409127 /nfs/dbraw/zinc/40/91/27/775409127.db2.gz BSRXEHRRBXKEJP-UPHRSURJSA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)C(=O)NCC2CC2)nn1 ZINC001279869707 775410584 /nfs/dbraw/zinc/41/05/84/775410584.db2.gz SZXYHAZKQLJPTN-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1-c1ccccc1)NC(=O)C(N)=O ZINC001268660394 775412327 /nfs/dbraw/zinc/41/23/27/775412327.db2.gz NGJOVBUXNCPDRR-SECBINFHSA-N 1 1 303.326 -1.258 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268666365 775414782 /nfs/dbraw/zinc/41/47/82/775414782.db2.gz OQHWQVHGPVXAIY-MRVPVSSYSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001268701032 775416206 /nfs/dbraw/zinc/41/62/06/775416206.db2.gz VCCVICAIBIKCPU-QMMMGPOBSA-N 1 1 319.387 -1.617 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1CCNC1=O ZINC001268697957 775416632 /nfs/dbraw/zinc/41/66/32/775416632.db2.gz KHEKPKHUPZTFJA-UWVGGRQHSA-N 1 1 322.369 -1.461 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncn1C)N1C(=O)CCC1=O ZINC001268688929 775416971 /nfs/dbraw/zinc/41/69/71/775416971.db2.gz LMFWUXCOUWYRHM-VHSXEESVSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)Cc1nnc[nH]1 ZINC001268710793 775418185 /nfs/dbraw/zinc/41/81/85/775418185.db2.gz PPFGOALAMRSPFB-QMMMGPOBSA-N 1 1 304.376 -2.009 20 0 DAADMO COCC(=O)N[C@H](C)C[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001268719308 775418630 /nfs/dbraw/zinc/41/86/30/775418630.db2.gz ZLIJLWAHQKISSA-MNOVXSKESA-N 1 1 315.370 -1.421 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268745352 775419599 /nfs/dbraw/zinc/41/95/99/775419599.db2.gz HPTJSDUXZHOJLS-UWVGGRQHSA-N 1 1 302.375 -1.551 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(N)=O ZINC001268745352 775419608 /nfs/dbraw/zinc/41/96/08/775419608.db2.gz HPTJSDUXZHOJLS-UWVGGRQHSA-N 1 1 302.375 -1.551 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001268736484 775419866 /nfs/dbraw/zinc/41/98/66/775419866.db2.gz TXMMOEZOPDUFRK-BDAKNGLRSA-N 1 1 311.329 -1.189 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001268744208 775420531 /nfs/dbraw/zinc/42/05/31/775420531.db2.gz SRJCVYWRFKUMRT-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001268744208 775420535 /nfs/dbraw/zinc/42/05/35/775420535.db2.gz SRJCVYWRFKUMRT-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268737543 775420684 /nfs/dbraw/zinc/42/06/84/775420684.db2.gz XJNWIYVBTCPMPI-MRVPVSSYSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268737543 775420689 /nfs/dbraw/zinc/42/06/89/775420689.db2.gz XJNWIYVBTCPMPI-MRVPVSSYSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001268741558 775420927 /nfs/dbraw/zinc/42/09/27/775420927.db2.gz UFSWVACSMBDLEQ-DTWKUNHWSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCn2cncn2)C1 ZINC001149181894 775422553 /nfs/dbraw/zinc/42/25/53/775422553.db2.gz KDYKNHKRLRKRQS-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCn2cncn2)C1 ZINC001149181894 775422562 /nfs/dbraw/zinc/42/25/62/775422562.db2.gz KDYKNHKRLRKRQS-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001268751866 775422884 /nfs/dbraw/zinc/42/28/84/775422884.db2.gz VTNBBSISKMFRBZ-WPRPVWTQSA-N 1 1 308.342 -1.330 20 0 DAADMO NC(=O)CC(=O)NCC1C[NH+](CCN2CCCS2(=O)=O)C1 ZINC001268813998 775423856 /nfs/dbraw/zinc/42/38/56/775423856.db2.gz NPMQPDZFESAREE-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO NC(=O)CC(=O)NCC1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001268813587 775424290 /nfs/dbraw/zinc/42/42/90/775424290.db2.gz AIGBAHZCFIXBIH-JTQLQIEISA-N 1 1 317.411 -1.265 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001268965066 775431125 /nfs/dbraw/zinc/43/11/25/775431125.db2.gz IGOUEPIWHSURDJ-YUMQZZPRSA-N 1 1 322.287 -1.175 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCNC(=O)C(F)(F)F ZINC001268965066 775431134 /nfs/dbraw/zinc/43/11/34/775431134.db2.gz IGOUEPIWHSURDJ-YUMQZZPRSA-N 1 1 322.287 -1.175 20 0 DAADMO COCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001268960604 775431791 /nfs/dbraw/zinc/43/17/91/775431791.db2.gz VSWACPHRASAQQU-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO Cc1nccc(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)n1 ZINC001279911106 775434442 /nfs/dbraw/zinc/43/44/42/775434442.db2.gz FNLMIAHVUBFCCG-UHFFFAOYSA-N 1 1 320.357 -1.467 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CCO1 ZINC001269013982 775434973 /nfs/dbraw/zinc/43/49/73/775434973.db2.gz BCHLRJYUBBGLMQ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CCO1 ZINC001269013982 775434978 /nfs/dbraw/zinc/43/49/78/775434978.db2.gz BCHLRJYUBBGLMQ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(CCn1ccnn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001269018527 775435069 /nfs/dbraw/zinc/43/50/69/775435069.db2.gz BSIBZXJLFUSTLR-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(CCn1ccnn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001269018527 775435074 /nfs/dbraw/zinc/43/50/74/775435074.db2.gz BSIBZXJLFUSTLR-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC3(C2)CCOC[C@@H]3C(N)=O)CC1 ZINC001269030208 775437071 /nfs/dbraw/zinc/43/70/71/775437071.db2.gz DTWBLRPBJIKFOH-CYBMUJFWSA-N 1 1 324.425 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269086977 775440325 /nfs/dbraw/zinc/44/03/25/775440325.db2.gz VJMXTOROFMQOCC-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001269086977 775440330 /nfs/dbraw/zinc/44/03/30/775440330.db2.gz VJMXTOROFMQOCC-HZMBPMFUSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001269098935 775441506 /nfs/dbraw/zinc/44/15/06/775441506.db2.gz DIWHHZAJTUUFJW-GHMZBOCLSA-N 1 1 306.370 -1.064 20 0 DAADMO CCN(C)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001269095357 775442320 /nfs/dbraw/zinc/44/23/20/775442320.db2.gz RCBFCJQXQAVUTI-UHFFFAOYSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001269095748 775442361 /nfs/dbraw/zinc/44/23/61/775442361.db2.gz UVDHFWCZDHZGRI-UHFFFAOYSA-N 1 1 323.397 -1.517 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)CN(CCO)CCO)C2)C1 ZINC001269094830 775442406 /nfs/dbraw/zinc/44/24/06/775442406.db2.gz KUSVIJRACLFIOZ-OAHLLOKOSA-N 1 1 315.414 -1.404 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)CN(CCO)CCO)C2)C1 ZINC001269094830 775442409 /nfs/dbraw/zinc/44/24/09/775442409.db2.gz KUSVIJRACLFIOZ-OAHLLOKOSA-N 1 1 315.414 -1.404 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001269142929 775443218 /nfs/dbraw/zinc/44/32/18/775443218.db2.gz PQYFGXQIYBAQCL-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001269142929 775443228 /nfs/dbraw/zinc/44/32/28/775443228.db2.gz PQYFGXQIYBAQCL-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001269142929 775443237 /nfs/dbraw/zinc/44/32/37/775443237.db2.gz PQYFGXQIYBAQCL-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)CC(N)=O ZINC001284405663 775443283 /nfs/dbraw/zinc/44/32/83/775443283.db2.gz WQZICEUBJRNPOH-SECBINFHSA-N 1 1 311.346 -2.208 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001269227714 775450196 /nfs/dbraw/zinc/45/01/96/775450196.db2.gz QOFHVQSBPWBSRO-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001269227714 775450203 /nfs/dbraw/zinc/45/02/03/775450203.db2.gz QOFHVQSBPWBSRO-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO Cn1nnc2c(C(=O)N3[C@@H]4CC[C@H]3C[N@@H+](C)C4)ncn2c1=O ZINC001269290495 775455044 /nfs/dbraw/zinc/45/50/44/775455044.db2.gz FDMOSVNWLIRVEK-DTORHVGOSA-N 1 1 303.326 -1.258 20 0 DAADMO Cn1nnc2c(C(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)C4)ncn2c1=O ZINC001269290495 775455053 /nfs/dbraw/zinc/45/50/53/775455053.db2.gz FDMOSVNWLIRVEK-DTORHVGOSA-N 1 1 303.326 -1.258 20 0 DAADMO Cn1nnc2c(C(=O)N3CC[C@H]4[C@@H]3CC[N@H+]4C)ncn2c1=O ZINC001269290270 775455184 /nfs/dbraw/zinc/45/51/84/775455184.db2.gz ABPIUFIHXORZEI-IUCAKERBSA-N 1 1 303.326 -1.258 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001269273334 775455700 /nfs/dbraw/zinc/45/57/00/775455700.db2.gz VRJSYDPSLSJBLK-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001269273334 775455703 /nfs/dbraw/zinc/45/57/03/775455703.db2.gz VRJSYDPSLSJBLK-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[N@H+]2CCCF)C1=O ZINC001269311466 775456537 /nfs/dbraw/zinc/45/65/37/775456537.db2.gz SJILKXGNICMVKF-SECBINFHSA-N 1 1 314.317 -1.043 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001269311990 775456815 /nfs/dbraw/zinc/45/68/15/775456815.db2.gz BDTYUHFCFDXOFQ-QUARPLMYSA-N 1 1 302.327 -3.065 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)O1 ZINC001269292109 775456831 /nfs/dbraw/zinc/45/68/31/775456831.db2.gz OXPVOPXWFDUNKN-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)O1 ZINC001269292109 775456835 /nfs/dbraw/zinc/45/68/35/775456835.db2.gz OXPVOPXWFDUNKN-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC001269301605 775456914 /nfs/dbraw/zinc/45/69/14/775456914.db2.gz CGFWRKFGAXSUMQ-AISVGPCPSA-N 1 1 302.327 -3.051 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2C1 ZINC001269302716 775457066 /nfs/dbraw/zinc/45/70/66/775457066.db2.gz YDDFBERQYLHDKK-XIXNAZORSA-N 1 1 302.327 -3.051 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001269321083 775460278 /nfs/dbraw/zinc/46/02/78/775460278.db2.gz OMFUPMOYQZZQFV-MNOVXSKESA-N 1 1 310.354 -1.502 20 0 DAADMO CN(CC(=O)N1CC2(C[C@@H]2C(=O)NCc2cnc[nH]2)C1)C(N)=[NH2+] ZINC001269348977 775460920 /nfs/dbraw/zinc/46/09/20/775460920.db2.gz URTLCGMOCIJXKF-SNVBAGLBSA-N 1 1 319.369 -1.300 20 0 DAADMO CN(CC(=O)N1CC2(C[C@H]2C(=O)NCc2cnc[nH]2)C1)C(N)=[NH2+] ZINC001269348976 775461737 /nfs/dbraw/zinc/46/17/37/775461737.db2.gz URTLCGMOCIJXKF-JTQLQIEISA-N 1 1 319.369 -1.300 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001269388108 775463728 /nfs/dbraw/zinc/46/37/28/775463728.db2.gz FXLTYQWWYSJRHY-NSHDSACASA-N 1 1 323.397 -1.129 20 0 DAADMO CN1C[C@]2(CCN(C(=O)CN3CC[NH+](C)CC3)C2)OCC1=O ZINC001269428195 775464384 /nfs/dbraw/zinc/46/43/84/775464384.db2.gz HWBNMEXGWNGFAF-HNNXBMFYSA-N 1 1 310.398 -1.307 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001269428777 775465437 /nfs/dbraw/zinc/46/54/37/775465437.db2.gz ROKSRLWOQLQDAN-INIZCTEOSA-N 1 1 324.425 -1.059 20 0 DAADMO CCNC(=O)CC(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284515039 775467240 /nfs/dbraw/zinc/46/72/40/775467240.db2.gz PAAIYIWLEGDPGY-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)CC(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284515039 775467242 /nfs/dbraw/zinc/46/72/42/775467242.db2.gz PAAIYIWLEGDPGY-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nnnn1C ZINC001269503162 775468424 /nfs/dbraw/zinc/46/84/24/775468424.db2.gz PNASHNXPVDHTGG-QMMMGPOBSA-N 1 1 324.345 -2.254 20 0 DAADMO CC[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1nonc1C ZINC001269503388 775468606 /nfs/dbraw/zinc/46/86/06/775468606.db2.gz VCTOHJRCCKCHOQ-VIFPVBQESA-N 1 1 324.341 -1.086 20 0 DAADMO CC[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001269491532 775468719 /nfs/dbraw/zinc/46/87/19/775468719.db2.gz DQAAABKQRQJTOD-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO NC(=O)C[C@H]1C[C@@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@@H]2O1 ZINC001269618121 775473218 /nfs/dbraw/zinc/47/32/18/775473218.db2.gz GZAUTXFTBGQACR-UTUOFQBUSA-N 1 1 315.370 -2.236 20 0 DAADMO C[NH+](C)CCN1CC[C@]2(CCN(C(=O)Cc3nn[nH]n3)C2)C1=O ZINC001269576341 775473289 /nfs/dbraw/zinc/47/32/89/775473289.db2.gz JEJSZGNDFGJXJL-CQSZACIVSA-N 1 1 321.385 -1.245 20 0 DAADMO NC(=O)c1cn2c(n1)CN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269618978 775473367 /nfs/dbraw/zinc/47/33/67/775473367.db2.gz XOCHHVLRVHQZQH-UHFFFAOYSA-N 1 1 311.342 -2.389 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CNC(N)=O)CC3)[C@H]2C1 ZINC001270074464 775482571 /nfs/dbraw/zinc/48/25/71/775482571.db2.gz XKMCXURQNACZQE-UWVGGRQHSA-N 1 1 309.370 -1.677 20 0 DAADMO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)Cc3nn[nH]n3)C[C@@H]21 ZINC001270183388 775486725 /nfs/dbraw/zinc/48/67/25/775486725.db2.gz VELQATQFFKGSAC-QWRGUYRKSA-N 1 1 309.374 -1.785 20 0 DAADMO CC1(NC(=O)C(N)=O)CC[NH+](CCCS(C)(=O)=O)CC1 ZINC001270249494 775488425 /nfs/dbraw/zinc/48/84/25/775488425.db2.gz SLYHDAHNTVFKRK-UHFFFAOYSA-N 1 1 305.400 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656765 775500661 /nfs/dbraw/zinc/50/06/61/775500661.db2.gz IWPQOEYEEBTEOL-OQPBUACISA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656765 775500668 /nfs/dbraw/zinc/50/06/68/775500668.db2.gz IWPQOEYEEBTEOL-OQPBUACISA-N 1 1 311.342 -2.007 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001270697915 775503548 /nfs/dbraw/zinc/50/35/48/775503548.db2.gz UPXFNJAARYUARL-ZDUSSCGKSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001270697915 775503553 /nfs/dbraw/zinc/50/35/53/775503553.db2.gz UPXFNJAARYUARL-ZDUSSCGKSA-N 1 1 312.414 -1.421 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC001087496086 775513642 /nfs/dbraw/zinc/51/36/42/775513642.db2.gz JXYNRAYRTNWEKH-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001114960268 775516692 /nfs/dbraw/zinc/51/66/92/775516692.db2.gz QLVSAWKTVYRUNK-SKNMHBRKSA-N 1 1 323.353 -2.104 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001114960268 775516699 /nfs/dbraw/zinc/51/66/99/775516699.db2.gz QLVSAWKTVYRUNK-SKNMHBRKSA-N 1 1 323.353 -2.104 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001270908087 775518718 /nfs/dbraw/zinc/51/87/18/775518718.db2.gz QTJLPBJMMISBPJ-BBRMVZONSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001270993167 775521479 /nfs/dbraw/zinc/52/14/79/775521479.db2.gz YJBLNZPPMUWSAK-IUODEOHRSA-N 1 1 323.397 -1.052 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)CC1 ZINC001271001102 775521569 /nfs/dbraw/zinc/52/15/69/775521569.db2.gz UVLHQFUAOARLHH-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001270993139 775522001 /nfs/dbraw/zinc/52/20/01/775522001.db2.gz YGDHGOIKPIPOOJ-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)CC1 ZINC001271001103 775522047 /nfs/dbraw/zinc/52/20/47/775522047.db2.gz UVLHQFUAOARLHH-UPJWGTAASA-N 1 1 310.398 -1.275 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCc3onc(C(N)=O)c3C2)CC1 ZINC001271000168 775522926 /nfs/dbraw/zinc/52/29/26/775522926.db2.gz JKLBUWLHYXUIBQ-UHFFFAOYSA-N 1 1 307.354 -1.094 20 0 DAADMO O=C(C[NH+]1CCC1)N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001271016032 775524650 /nfs/dbraw/zinc/52/46/50/775524650.db2.gz ONFLKYUXJGIJBM-OAHLLOKOSA-N 1 1 309.366 -1.079 20 0 DAADMO CCNC(=O)CN1C(=O)COCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001271011566 775524739 /nfs/dbraw/zinc/52/47/39/775524739.db2.gz DPTDMKKTUSPJDN-UHFFFAOYSA-N 1 1 324.381 -1.732 20 0 DAADMO CC[C@@H](C(N)=O)N1C(=O)COCC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001271011563 775524756 /nfs/dbraw/zinc/52/47/56/775524756.db2.gz DPNJDTLSCVOXIS-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1CC(=O)NC ZINC001087546456 775526136 /nfs/dbraw/zinc/52/61/36/775526136.db2.gz LNEXTUVWASXXOL-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1CC(=O)NC ZINC001087546456 775526142 /nfs/dbraw/zinc/52/61/42/775526142.db2.gz LNEXTUVWASXXOL-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CC[N@@H+](C)CC(=O)N1CC2(C1)CN(S(=O)(=O)N(C)C)C2 ZINC001271084927 775526907 /nfs/dbraw/zinc/52/69/07/775526907.db2.gz REIRZSHEBPOMRD-UHFFFAOYSA-N 1 1 304.416 -1.111 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001271090796 775528443 /nfs/dbraw/zinc/52/84/43/775528443.db2.gz RPKKFMODIUVUKS-CJNGLKHVSA-N 1 1 323.393 -1.097 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001271090800 775530052 /nfs/dbraw/zinc/53/00/52/775530052.db2.gz RPKKFMODIUVUKS-XJKSGUPXSA-N 1 1 323.393 -1.097 20 0 DAADMO Cn1nncc1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126540992 775531511 /nfs/dbraw/zinc/53/15/11/775531511.db2.gz NJSCQGYAJHBFBM-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C ZINC001087573464 775531542 /nfs/dbraw/zinc/53/15/42/775531542.db2.gz MKQFJXPNVYQXEK-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130330 775533200 /nfs/dbraw/zinc/53/32/00/775533200.db2.gz CBJMVAQDBASVDD-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001271130330 775533204 /nfs/dbraw/zinc/53/32/04/775533204.db2.gz CBJMVAQDBASVDD-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CCCO ZINC001087685400 775533270 /nfs/dbraw/zinc/53/32/70/775533270.db2.gz MSMUVZCINGXNSS-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001087689516 775534154 /nfs/dbraw/zinc/53/41/54/775534154.db2.gz IPHJGPMKPPRUBA-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC001087689516 775534162 /nfs/dbraw/zinc/53/41/62/775534162.db2.gz IPHJGPMKPPRUBA-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(=O)NC ZINC001087631736 775534395 /nfs/dbraw/zinc/53/43/95/775534395.db2.gz RTQCBENKYHJZAS-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(=O)NC ZINC001087631736 775534400 /nfs/dbraw/zinc/53/44/00/775534400.db2.gz RTQCBENKYHJZAS-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(N)=O ZINC001087724420 775535766 /nfs/dbraw/zinc/53/57/66/775535766.db2.gz NZJLALGUJFQOIK-ZRUFSTJUSA-N 1 1 312.370 -1.526 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@H+]1CC(N)=O ZINC001087724420 775535772 /nfs/dbraw/zinc/53/57/72/775535772.db2.gz NZJLALGUJFQOIK-ZRUFSTJUSA-N 1 1 312.370 -1.526 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC)C1 ZINC001271138989 775536107 /nfs/dbraw/zinc/53/61/07/775536107.db2.gz SZTPWGIGAJBOBY-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC)C1 ZINC001271138989 775536113 /nfs/dbraw/zinc/53/61/13/775536113.db2.gz SZTPWGIGAJBOBY-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001087710439 775536302 /nfs/dbraw/zinc/53/63/02/775536302.db2.gz ZYURSSOKBDNOAQ-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087707578 775536669 /nfs/dbraw/zinc/53/66/69/775536669.db2.gz AVCRQCSKHXXCNC-QJPTWQEYSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@H]1COC(=O)N1 ZINC001126547878 775537216 /nfs/dbraw/zinc/53/72/16/775537216.db2.gz BQCMFFIEFIJIKD-SSDOTTSWSA-N 1 1 318.284 -1.143 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@H]1COC(=O)N1 ZINC001126548256 775540245 /nfs/dbraw/zinc/54/02/45/775540245.db2.gz HLNZFUUIEKSATF-SECBINFHSA-N 1 1 308.342 -1.071 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCO ZINC001087794315 775540360 /nfs/dbraw/zinc/54/03/60/775540360.db2.gz FFUVNEOTCNZEDQ-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@H]1COC(=O)N1 ZINC001126549182 775540586 /nfs/dbraw/zinc/54/05/86/775540586.db2.gz YUWUJRBFZHOUDM-MRVPVSSYSA-N 1 1 300.294 -1.438 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1COC(=O)N1 ZINC001126548213 775540644 /nfs/dbraw/zinc/54/06/44/775540644.db2.gz GUPJZHVJWMMSDY-QMMMGPOBSA-N 1 1 310.314 -1.878 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+]1CC(N)=O ZINC001087832877 775541026 /nfs/dbraw/zinc/54/10/26/775541026.db2.gz BNSLYJYDTIRKNQ-LPEHRKFASA-N 1 1 318.399 -1.868 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(N)=O ZINC001087832877 775541028 /nfs/dbraw/zinc/54/10/28/775541028.db2.gz BNSLYJYDTIRKNQ-LPEHRKFASA-N 1 1 318.399 -1.868 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCCCOC)C1 ZINC001271153852 775541097 /nfs/dbraw/zinc/54/10/97/775541097.db2.gz XBZUXFHBWBXARK-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001098706278 775541734 /nfs/dbraw/zinc/54/17/34/775541734.db2.gz XHTNRQRUAYZQJC-LLVKDONJSA-N 1 1 322.369 -1.601 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC001087826882 775541959 /nfs/dbraw/zinc/54/19/59/775541959.db2.gz LYNDZZLTJYLECC-VHSXEESVSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC001087826882 775541968 /nfs/dbraw/zinc/54/19/68/775541968.db2.gz LYNDZZLTJYLECC-VHSXEESVSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158364 775542735 /nfs/dbraw/zinc/54/27/35/775542735.db2.gz ALOPEUYEFFXBHW-ISVAXAHUSA-N 1 1 300.359 -2.075 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158364 775542743 /nfs/dbraw/zinc/54/27/43/775542743.db2.gz ALOPEUYEFFXBHW-ISVAXAHUSA-N 1 1 300.359 -2.075 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1CC(=O)NC ZINC001087850690 775542939 /nfs/dbraw/zinc/54/29/39/775542939.db2.gz QYUNWTUAKXYBHI-OUAUKWLOSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@H+]1CC(=O)NC ZINC001087850690 775542947 /nfs/dbraw/zinc/54/29/47/775542947.db2.gz QYUNWTUAKXYBHI-OUAUKWLOSA-N 1 1 324.381 -1.246 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158539 775543719 /nfs/dbraw/zinc/54/37/19/775543719.db2.gz BYEGSPBUSDNLBB-CQSZACIVSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158539 775543727 /nfs/dbraw/zinc/54/37/27/775543727.db2.gz BYEGSPBUSDNLBB-CQSZACIVSA-N 1 1 324.385 -1.620 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC001087850456 775543834 /nfs/dbraw/zinc/54/38/34/775543834.db2.gz GGGKJKJUKSIMSE-KXUCPTDWSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC001087850456 775543840 /nfs/dbraw/zinc/54/38/40/775543840.db2.gz GGGKJKJUKSIMSE-KXUCPTDWSA-N 1 1 310.354 -1.506 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001271159981 775544949 /nfs/dbraw/zinc/54/49/49/775544949.db2.gz OKVWWFUQXZYHMB-HZMBPMFUSA-N 1 1 310.354 -1.453 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 ZINC001271160561 775545283 /nfs/dbraw/zinc/54/52/83/775545283.db2.gz VMVGGKKWPZKKMR-HNNXBMFYSA-N 1 1 320.349 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 ZINC001271160561 775545284 /nfs/dbraw/zinc/54/52/84/775545284.db2.gz VMVGGKKWPZKKMR-HNNXBMFYSA-N 1 1 320.349 -1.337 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)C[C@@H]2C1 ZINC001087892654 775545351 /nfs/dbraw/zinc/54/53/51/775545351.db2.gz HCTCWTZNABKDAK-AGIUHOORSA-N 1 1 311.382 -1.072 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001271159983 775545436 /nfs/dbraw/zinc/54/54/36/775545436.db2.gz OKVWWFUQXZYHMB-IINYFYTJSA-N 1 1 310.354 -1.453 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)c1N ZINC001087943022 775546451 /nfs/dbraw/zinc/54/64/51/775546451.db2.gz FDJFZVNKVWXLER-ZJUUUORDSA-N 1 1 306.370 -1.119 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920055 775547103 /nfs/dbraw/zinc/54/71/03/775547103.db2.gz CRDXMCNOHNGBPS-AGIUHOORSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937518 775547542 /nfs/dbraw/zinc/54/75/42/775547542.db2.gz GYGWAQGMNRSJIF-KGLIPLIRSA-N 1 1 324.425 -1.155 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001087909834 775547846 /nfs/dbraw/zinc/54/78/46/775547846.db2.gz ZLZRZORYZVTQNP-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087977995 775549762 /nfs/dbraw/zinc/54/97/62/775549762.db2.gz GOSURQCBCCJMFQ-MNOVXSKESA-N 1 1 302.396 -1.196 20 0 DAADMO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271174567 775550352 /nfs/dbraw/zinc/55/03/52/775550352.db2.gz DHSKVJGYDOUMHV-NXEZZACHSA-N 1 1 319.369 -1.051 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CC1=O ZINC001087986026 775550494 /nfs/dbraw/zinc/55/04/94/775550494.db2.gz RHERTVLHWPCFJS-WOPDTQHZSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)c1=O ZINC001088019593 775550546 /nfs/dbraw/zinc/55/05/46/775550546.db2.gz WJCJLELMTBAVCL-MNOVXSKESA-N 1 1 322.369 -2.153 20 0 DAADMO COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001271174629 775550732 /nfs/dbraw/zinc/55/07/32/775550732.db2.gz JUZHDLCJYCNBGN-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)CC1=O ZINC001088017835 775551507 /nfs/dbraw/zinc/55/15/07/775551507.db2.gz VKPCUKBMXJJTTR-KGLIPLIRSA-N 1 1 324.425 -1.467 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001088002781 775551885 /nfs/dbraw/zinc/55/18/85/775551885.db2.gz SXWCUCOKWIKOSA-GRYCIOLGSA-N 1 1 308.382 -1.222 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CC1=O ZINC001087986025 775552133 /nfs/dbraw/zinc/55/21/33/775552133.db2.gz RHERTVLHWPCFJS-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183836 775552677 /nfs/dbraw/zinc/55/26/77/775552677.db2.gz FYYCLZOHNMKOLM-CQSZACIVSA-N 1 1 321.381 -1.261 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183836 775552684 /nfs/dbraw/zinc/55/26/84/775552684.db2.gz FYYCLZOHNMKOLM-CQSZACIVSA-N 1 1 321.381 -1.261 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]2C1 ZINC001088022220 775553008 /nfs/dbraw/zinc/55/30/08/775553008.db2.gz ADFHOSORLYRMPG-TUAOUCFPSA-N 1 1 308.382 -1.222 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)c1=O ZINC001088062824 775553471 /nfs/dbraw/zinc/55/34/71/775553471.db2.gz ACXGGJUMOAPECO-MNOVXSKESA-N 1 1 322.365 -1.128 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)NC1=O ZINC001088066407 775553535 /nfs/dbraw/zinc/55/35/35/775553535.db2.gz JHXYRHYYIJHBPM-OUAUKWLOSA-N 1 1 309.370 -1.724 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001088065348 775554148 /nfs/dbraw/zinc/55/41/48/775554148.db2.gz QXPHHKCYCOVECQ-KGLIPLIRSA-N 1 1 324.425 -1.155 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO[C@@H]2CCOC2)C1 ZINC001271185057 775556292 /nfs/dbraw/zinc/55/62/92/775556292.db2.gz RGPPNAYSSWKAEB-BXUZGUMPSA-N 1 1 315.370 -1.780 20 0 DAADMO CN(C)C(=O)CN1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001271223172 775556566 /nfs/dbraw/zinc/55/65/66/775556566.db2.gz OBFPGYXLGVMUBZ-MELADBBJSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)C1CC(=O)NC(=O)C1 ZINC001271201674 775556597 /nfs/dbraw/zinc/55/65/97/775556597.db2.gz VLNTXIXPFMYRFM-CQSZACIVSA-N 1 1 315.345 -1.048 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCCF)C1)C1CC(=O)NC(=O)C1 ZINC001271201673 775558046 /nfs/dbraw/zinc/55/80/46/775558046.db2.gz VLNTXIXPFMYRFM-AWEZNQCLSA-N 1 1 315.345 -1.048 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1=O ZINC001271220688 775558143 /nfs/dbraw/zinc/55/81/43/775558143.db2.gz PVYONGUGRMTRRR-CYBMUJFWSA-N 1 1 314.342 -2.574 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271285425 775564759 /nfs/dbraw/zinc/56/47/59/775564759.db2.gz UMONSKAYUNDUMT-LBPRGKRZSA-N 1 1 305.400 -1.012 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271285425 775564765 /nfs/dbraw/zinc/56/47/65/775564765.db2.gz UMONSKAYUNDUMT-LBPRGKRZSA-N 1 1 305.400 -1.012 20 0 DAADMO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271288172 775565746 /nfs/dbraw/zinc/56/57/46/775565746.db2.gz ZYFHTSITZRYRMA-UHFFFAOYSA-N 1 1 318.443 -1.239 20 0 DAADMO CN(C)CC[N@H+]1CCC2(CN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271288172 775565751 /nfs/dbraw/zinc/56/57/51/775565751.db2.gz ZYFHTSITZRYRMA-UHFFFAOYSA-N 1 1 318.443 -1.239 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCNC1=O ZINC001271335005 775569264 /nfs/dbraw/zinc/56/92/64/775569264.db2.gz DWRLMYMQXMAJHV-NWDGAFQWSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCCO)C2 ZINC001271399914 775573993 /nfs/dbraw/zinc/57/39/93/775573993.db2.gz LSJXMKQCEZMVPD-AVGNSLFASA-N 1 1 324.385 -1.349 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CC[C@@H]2C1 ZINC001088089348 775574278 /nfs/dbraw/zinc/57/42/78/775574278.db2.gz MKGHRJSZIYHOCO-AGIUHOORSA-N 1 1 321.381 -1.490 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088089070 775574399 /nfs/dbraw/zinc/57/43/99/775574399.db2.gz ZEEBNDSTLPPEJU-NEPJUHHUSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088089415 775574502 /nfs/dbraw/zinc/57/45/02/775574502.db2.gz PJFJBTIFDFWCTI-GRYCIOLGSA-N 1 1 320.393 -1.079 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088813 775574692 /nfs/dbraw/zinc/57/46/92/775574692.db2.gz NJQRBNUHRDGUSN-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088088752 775575336 /nfs/dbraw/zinc/57/53/36/775575336.db2.gz KPAYVLOOHUETEI-MNOVXSKESA-N 1 1 309.370 -1.723 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088108805 775575998 /nfs/dbraw/zinc/57/59/98/775575998.db2.gz UHUGGSYLNJFQKI-XQHKEYJVSA-N 1 1 322.409 -1.024 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088108383 775576433 /nfs/dbraw/zinc/57/64/33/775576433.db2.gz XPUJQXBZYGZSRQ-KXNHARMFSA-N 1 1 308.382 -1.366 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 ZINC001088140093 775577474 /nfs/dbraw/zinc/57/74/74/775577474.db2.gz SFHNRMLYLUUONG-KOLCDFICSA-N 1 1 322.365 -1.695 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@H](OC)C1 ZINC001211894085 775579392 /nfs/dbraw/zinc/57/93/92/775579392.db2.gz CTTACQHFOJBRCL-JHJVBQTASA-N 1 1 317.386 -1.713 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894239 775579558 /nfs/dbraw/zinc/57/95/58/775579558.db2.gz ICGQPSZZOXOJTA-CHWSQXEVSA-N 1 1 317.386 -1.711 20 0 DAADMO C[N@H+]1CCN(C(=O)Cc2nc(N)n[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001271499109 775584354 /nfs/dbraw/zinc/58/43/54/775584354.db2.gz KOEKAEWVMMADGJ-CQSZACIVSA-N 1 1 321.385 -1.258 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C3=NNC(=O)CC3)C2)C1 ZINC001271504699 775584889 /nfs/dbraw/zinc/58/48/89/775584889.db2.gz IRCJZSHIMAERJD-UHFFFAOYSA-N 1 1 321.381 -1.125 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O ZINC001271536874 775586502 /nfs/dbraw/zinc/58/65/02/775586502.db2.gz WTUAFJIDNQMHQE-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O ZINC001271536874 775586506 /nfs/dbraw/zinc/58/65/06/775586506.db2.gz WTUAFJIDNQMHQE-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001271603720 775588866 /nfs/dbraw/zinc/58/88/66/775588866.db2.gz AAKBXPNUIMWKIK-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO C[N@@H+]1CCN(C(=O)C2(CO)COC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001271661405 775591851 /nfs/dbraw/zinc/59/18/51/775591851.db2.gz OPYWSKZHAPOISK-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@H+]1CCN(C(=O)C2(CO)COC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001271661405 775591857 /nfs/dbraw/zinc/59/18/57/775591857.db2.gz OPYWSKZHAPOISK-OAHLLOKOSA-N 1 1 311.382 -1.192 20 0 DAADMO CC(=O)N[C@@H](CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2)C(N)=O ZINC001271660692 775592188 /nfs/dbraw/zinc/59/21/88/775592188.db2.gz DTHKHHXUVNSGQT-TUAOUCFPSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(=O)N[C@@H](CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2)C(N)=O ZINC001271660692 775592196 /nfs/dbraw/zinc/59/21/96/775592196.db2.gz DTHKHHXUVNSGQT-TUAOUCFPSA-N 1 1 312.370 -1.702 20 0 DAADMO C[N@@H+]1CCN(C(=O)C2(CO)COC2)C[C@]2(CCCC(=O)N2)C1 ZINC001271661404 775592522 /nfs/dbraw/zinc/59/25/22/775592522.db2.gz OPYWSKZHAPOISK-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@H+]1CCN(C(=O)C2(CO)COC2)C[C@]2(CCCC(=O)N2)C1 ZINC001271661404 775592535 /nfs/dbraw/zinc/59/25/35/775592535.db2.gz OPYWSKZHAPOISK-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1(CO)COC1)C2 ZINC001271661318 775592953 /nfs/dbraw/zinc/59/29/53/775592953.db2.gz NTUSXYNHGRUNTC-NEPJUHHUSA-N 1 1 311.382 -1.384 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1(CO)COC1)C2 ZINC001271661318 775592958 /nfs/dbraw/zinc/59/29/58/775592958.db2.gz NTUSXYNHGRUNTC-NEPJUHHUSA-N 1 1 311.382 -1.384 20 0 DAADMO Cc1n[nH]c(C(=O)N2CC3(C2)COCC(=O)N3CC[NH+](C)C)n1 ZINC001271919469 775602416 /nfs/dbraw/zinc/60/24/16/775602416.db2.gz RTYWPVBACCOPKK-UHFFFAOYSA-N 1 1 322.369 -1.272 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCNC4=O)CC3)[C@@H]2C1 ZINC001271945463 775603797 /nfs/dbraw/zinc/60/37/97/775603797.db2.gz JSEVINQNWVPXOA-QJPTWQEYSA-N 1 1 320.393 -1.209 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCNC4=O)CC3)[C@H]2C1 ZINC001271945465 775604463 /nfs/dbraw/zinc/60/44/63/775604463.db2.gz JSEVINQNWVPXOA-WOPDTQHZSA-N 1 1 320.393 -1.209 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CCC1=O)C(=O)Cn1cnnn1 ZINC001271957147 775605421 /nfs/dbraw/zinc/60/54/21/775605421.db2.gz JMHDRACIKUCDPC-UHFFFAOYSA-N 1 1 323.357 -1.788 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC001088461240 775612385 /nfs/dbraw/zinc/61/23/85/775612385.db2.gz YHWHMGRCMQHSBL-MNOVXSKESA-N 1 1 305.346 -1.456 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149137288 775613283 /nfs/dbraw/zinc/61/32/83/775613283.db2.gz NWJGHMMYFNMKEL-VXGBXAGGSA-N 1 1 314.386 -1.102 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001272026996 775614654 /nfs/dbraw/zinc/61/46/54/775614654.db2.gz BJQIORYFGYZGRV-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001272026996 775614656 /nfs/dbraw/zinc/61/46/56/775614656.db2.gz BJQIORYFGYZGRV-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1CCn1cncn1 ZINC001088534027 775616829 /nfs/dbraw/zinc/61/68/29/775616829.db2.gz XENXVXSMPBLKMV-MNOVXSKESA-N 1 1 320.357 -1.146 20 0 DAADMO COCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098641103 775619303 /nfs/dbraw/zinc/61/93/03/775619303.db2.gz PVRNCTIYPQBRHW-NSHDSACASA-N 1 1 310.358 -1.337 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CCNC(=O)NC)n1C ZINC001126688691 775619676 /nfs/dbraw/zinc/61/96/76/775619676.db2.gz KVIXQEOXCQVRGY-UHFFFAOYSA-N 1 1 311.390 -1.098 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1cn[nH]n1 ZINC001272054786 775620852 /nfs/dbraw/zinc/62/08/52/775620852.db2.gz CXYWZLBCYUOJLC-UHFFFAOYSA-N 1 1 309.330 -1.640 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1cncn1C ZINC001272055254 775621067 /nfs/dbraw/zinc/62/10/67/775621067.db2.gz JUEPDIDVOXPLCN-UHFFFAOYSA-N 1 1 322.369 -1.024 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(N)=O)C2)C1 ZINC001272064529 775621918 /nfs/dbraw/zinc/62/19/18/775621918.db2.gz GEXDGJBGJHJUOF-GHMZBOCLSA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@@H]1C(N)=O)C2 ZINC001272064822 775622206 /nfs/dbraw/zinc/62/22/06/775622206.db2.gz IYDZLKXSFZMAKH-RHYQMDGZSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[C@@H]1C(N)=O)C2 ZINC001272064822 775622217 /nfs/dbraw/zinc/62/22/17/775622217.db2.gz IYDZLKXSFZMAKH-RHYQMDGZSA-N 1 1 308.382 -1.271 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)C1 ZINC001272059956 775622307 /nfs/dbraw/zinc/62/23/07/775622307.db2.gz QJMWLXMNOIJNNM-VXGBXAGGSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)C1 ZINC001272059956 775622317 /nfs/dbraw/zinc/62/23/17/775622317.db2.gz QJMWLXMNOIJNNM-VXGBXAGGSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(N)=O)C2)C1 ZINC001272064533 775622467 /nfs/dbraw/zinc/62/24/67/775622467.db2.gz GEXDGJBGJHJUOF-WDEREUQCSA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]12 ZINC001272061290 775622891 /nfs/dbraw/zinc/62/28/91/775622891.db2.gz ZICQZMDKMNWDQK-HBNTYKKESA-N 1 1 310.354 -1.382 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]12 ZINC001272061290 775622894 /nfs/dbraw/zinc/62/28/94/775622894.db2.gz ZICQZMDKMNWDQK-HBNTYKKESA-N 1 1 310.354 -1.382 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1C(N)=O)C2 ZINC001272064823 775622927 /nfs/dbraw/zinc/62/29/27/775622927.db2.gz IYDZLKXSFZMAKH-WRWGMCAJSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1C(N)=O)C2 ZINC001272064823 775622929 /nfs/dbraw/zinc/62/29/29/775622929.db2.gz IYDZLKXSFZMAKH-WRWGMCAJSA-N 1 1 308.382 -1.271 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C(N)=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001272064852 775623025 /nfs/dbraw/zinc/62/30/25/775623025.db2.gz JYXAUIHAJMZDNV-UEKVPHQBSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001272064406 775623034 /nfs/dbraw/zinc/62/30/34/775623034.db2.gz DGGPYMDAMSWNHS-USZNOCQGSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001272064406 775623036 /nfs/dbraw/zinc/62/30/36/775623036.db2.gz DGGPYMDAMSWNHS-USZNOCQGSA-N 1 1 308.382 -1.129 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[C@H]4C(N)=O)CC3)[C@@H]2C1 ZINC001272065968 775624074 /nfs/dbraw/zinc/62/40/74/775624074.db2.gz WKBPFEWHASEJCD-WRWGMCAJSA-N 1 1 320.393 -1.223 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H]4C(N)=O)CC3)[C@H]2C1 ZINC001272065969 775624335 /nfs/dbraw/zinc/62/43/35/775624335.db2.gz WKBPFEWHASEJCD-WYUUTHIRSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[N@@H+]1CC(N)=O ZINC001088568253 775624972 /nfs/dbraw/zinc/62/49/72/775624972.db2.gz ZOPQTDCPTKKNLE-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)CC[N@H+]1CC(N)=O ZINC001088568253 775624980 /nfs/dbraw/zinc/62/49/80/775624980.db2.gz ZOPQTDCPTKKNLE-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO NC(=O)CC(=O)NC1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001299198978 775625905 /nfs/dbraw/zinc/62/59/05/775625905.db2.gz WDQONLOTLJHWDY-UHFFFAOYSA-N 1 1 312.370 -1.651 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088578907 775627705 /nfs/dbraw/zinc/62/77/05/775627705.db2.gz CTNISTOPUXARDR-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088578907 775627708 /nfs/dbraw/zinc/62/77/08/775627708.db2.gz CTNISTOPUXARDR-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211945233 775627738 /nfs/dbraw/zinc/62/77/38/775627738.db2.gz YQWKAWOXCDGCSD-HBNTYKKESA-N 1 1 319.358 -1.835 20 0 DAADMO CCn1nncc1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126732100 775627887 /nfs/dbraw/zinc/62/78/87/775627887.db2.gz AZQMLFOAKPUSEO-UHFFFAOYSA-N 1 1 320.357 -1.061 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711249 775629386 /nfs/dbraw/zinc/62/93/86/775629386.db2.gz SPRQSWGELPZRTQ-MXWKQRLJSA-N 1 1 302.375 -1.654 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001211972409 775629946 /nfs/dbraw/zinc/62/99/46/775629946.db2.gz LSCCTRQVJZKDDB-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC001088605733 775630969 /nfs/dbraw/zinc/63/09/69/775630969.db2.gz FBDCLAXJZWCZRV-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001088606412 775631353 /nfs/dbraw/zinc/63/13/53/775631353.db2.gz RFMGZJGSQHEOSU-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CC(N)=O ZINC001212071106 775632993 /nfs/dbraw/zinc/63/29/93/775632993.db2.gz HTJJGHLKUKNECV-RKDXNWHRSA-N 1 1 309.313 -1.041 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CC(N)=O ZINC001212071106 775633000 /nfs/dbraw/zinc/63/30/00/775633000.db2.gz HTJJGHLKUKNECV-RKDXNWHRSA-N 1 1 309.313 -1.041 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212043775 775633318 /nfs/dbraw/zinc/63/33/18/775633318.db2.gz VOKLRPLWGJKHGW-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O)C(=O)C(N)=O ZINC001272097708 775635112 /nfs/dbraw/zinc/63/51/12/775635112.db2.gz DYYAQWUYFQQALH-UHFFFAOYSA-N 1 1 313.358 -1.808 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073817 775635207 /nfs/dbraw/zinc/63/52/07/775635207.db2.gz RWUDYXNRJSELFA-OUAUKWLOSA-N 1 1 314.386 -1.279 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212073817 775635217 /nfs/dbraw/zinc/63/52/17/775635217.db2.gz RWUDYXNRJSELFA-OUAUKWLOSA-N 1 1 314.386 -1.279 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071411 775635473 /nfs/dbraw/zinc/63/54/73/775635473.db2.gz PIWDSABXKRSUMW-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212071411 775635484 /nfs/dbraw/zinc/63/54/84/775635484.db2.gz PIWDSABXKRSUMW-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001272097516 775635857 /nfs/dbraw/zinc/63/58/57/775635857.db2.gz CBGBBSITSZFVGC-SECBINFHSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001272097516 775635865 /nfs/dbraw/zinc/63/58/65/775635865.db2.gz CBGBBSITSZFVGC-SECBINFHSA-N 1 1 315.374 -1.515 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CCOC1 ZINC001272136584 775639895 /nfs/dbraw/zinc/63/98/95/775639895.db2.gz XUPHMGZWGAWOAR-LLVKDONJSA-N 1 1 312.374 -1.453 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)Cc1nnc[nH]1 ZINC001272152363 775640154 /nfs/dbraw/zinc/64/01/54/775640154.db2.gz UUKOHRFJUBMSCV-UHFFFAOYSA-N 1 1 323.357 -1.711 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CC(=O)N4)CC3)[C@H]2C1 ZINC001272157645 775641862 /nfs/dbraw/zinc/64/18/62/775641862.db2.gz UHYYKBDDDKTXRD-GARJFASQSA-N 1 1 306.366 -1.456 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC001088680641 775645393 /nfs/dbraw/zinc/64/53/93/775645393.db2.gz SGFRQSAFNFZSCN-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@@H+]1CC(N)=O ZINC001088680524 775647061 /nfs/dbraw/zinc/64/70/61/775647061.db2.gz NJNTVXJUCSBWGZ-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CC(N)=O ZINC001088680524 775647068 /nfs/dbraw/zinc/64/70/68/775647068.db2.gz NJNTVXJUCSBWGZ-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO CCn1ncc(C[NH2+]CCN(CCO)C(=O)c2cn[nH]n2)n1 ZINC001272202529 775650465 /nfs/dbraw/zinc/65/04/65/775650465.db2.gz RIWSNJHDPRQFAS-UHFFFAOYSA-N 1 1 308.346 -1.360 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)NC2)nn1 ZINC001272202889 775651511 /nfs/dbraw/zinc/65/15/11/775651511.db2.gz YXOOLQDVNMIYCU-LLVKDONJSA-N 1 1 324.385 -1.748 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC001088701053 775651595 /nfs/dbraw/zinc/65/15/95/775651595.db2.gz KREGKEVGNUNXFY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC001088701053 775651603 /nfs/dbraw/zinc/65/16/03/775651603.db2.gz KREGKEVGNUNXFY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)n1C ZINC001272225280 775653512 /nfs/dbraw/zinc/65/35/12/775653512.db2.gz NCWULTYMGIEZPH-UHFFFAOYSA-N 1 1 324.345 -2.127 20 0 DAADMO Cc1nc([C@H](C)NCCN(CCO)C(=O)[C@H]2CCNC2=O)n[nH]1 ZINC001272224281 775653684 /nfs/dbraw/zinc/65/36/84/775653684.db2.gz BZWIHYIFADQLJF-ONGXEEELSA-N 1 1 324.385 -1.279 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)[nH]1 ZINC001272224281 775653690 /nfs/dbraw/zinc/65/36/90/775653690.db2.gz BZWIHYIFADQLJF-ONGXEEELSA-N 1 1 324.385 -1.279 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088714424 775653720 /nfs/dbraw/zinc/65/37/20/775653720.db2.gz HNNCHRWPGYXOGQ-AXFHLTTASA-N 1 1 310.354 -1.091 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088712728 775653883 /nfs/dbraw/zinc/65/38/83/775653883.db2.gz BXPVBBVLGDVEHW-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088712728 775653890 /nfs/dbraw/zinc/65/38/90/775653890.db2.gz BXPVBBVLGDVEHW-ZJUUUORDSA-N 1 1 323.353 -1.726 20 0 DAADMO Cc1nc([C@@H](C)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)n[nH]1 ZINC001272224279 775654599 /nfs/dbraw/zinc/65/45/99/775654599.db2.gz BZWIHYIFADQLJF-MWLCHTKSSA-N 1 1 324.385 -1.279 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)[nH]1 ZINC001272224279 775654604 /nfs/dbraw/zinc/65/46/04/775654604.db2.gz BZWIHYIFADQLJF-MWLCHTKSSA-N 1 1 324.385 -1.279 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)C1 ZINC001272213330 775654884 /nfs/dbraw/zinc/65/48/84/775654884.db2.gz JKAVLKOITUFVLD-QWRGUYRKSA-N 1 1 312.374 -1.454 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098658308 775658204 /nfs/dbraw/zinc/65/82/04/775658204.db2.gz CVLLIGSFUHZYSV-LLVKDONJSA-N 1 1 310.358 -1.731 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CCN1CCNC1=O ZINC001088794699 775658332 /nfs/dbraw/zinc/65/83/32/775658332.db2.gz RTGBSECGBWXKES-WOPDTQHZSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088796137 775658736 /nfs/dbraw/zinc/65/87/36/775658736.db2.gz XPNHDPWYBIOING-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088796137 775658741 /nfs/dbraw/zinc/65/87/41/775658741.db2.gz XPNHDPWYBIOING-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCN1CCNC1=O ZINC001088800630 775658813 /nfs/dbraw/zinc/65/88/13/775658813.db2.gz LIQYBHWIRTXTHK-ZJUUUORDSA-N 1 1 322.373 -1.572 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098658316 775658958 /nfs/dbraw/zinc/65/89/58/775658958.db2.gz CVLLIGSFUHZYSV-NSHDSACASA-N 1 1 310.358 -1.731 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088796189 775659326 /nfs/dbraw/zinc/65/93/26/775659326.db2.gz YXUDVTOGWCDDMD-WOPDTQHZSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@@H+]1CC(N)=O ZINC001088820111 775660664 /nfs/dbraw/zinc/66/06/64/775660664.db2.gz IKGXXZMCCWOPKW-MXWKQRLJSA-N 1 1 320.397 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@H+]1CC(N)=O ZINC001088820111 775660667 /nfs/dbraw/zinc/66/06/67/775660667.db2.gz IKGXXZMCCWOPKW-MXWKQRLJSA-N 1 1 320.397 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CCN1CCCC1=O ZINC001088829378 775662581 /nfs/dbraw/zinc/66/25/81/775662581.db2.gz PMBYPOJHUGXFFM-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)n[nH]1 ZINC001126912114 775662677 /nfs/dbraw/zinc/66/26/77/775662677.db2.gz DOWZBWFWUKXTME-UHFFFAOYSA-N 1 1 318.403 -1.747 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088828132 775663078 /nfs/dbraw/zinc/66/30/78/775663078.db2.gz ATGFXCCMUUMDJY-DVVUODLYSA-N 1 1 309.370 -1.475 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088828132 775663086 /nfs/dbraw/zinc/66/30/86/775663086.db2.gz ATGFXCCMUUMDJY-DVVUODLYSA-N 1 1 309.370 -1.475 20 0 DAADMO COCCCNC(=O)C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126912588 775663725 /nfs/dbraw/zinc/66/37/25/775663725.db2.gz QRXPZAJNYCGOCN-UHFFFAOYSA-N 1 1 312.374 -1.486 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)n[nH]1 ZINC001126926968 775665355 /nfs/dbraw/zinc/66/53/55/775665355.db2.gz WPVRIINKIZNIDI-LLVKDONJSA-N 1 1 324.385 -1.486 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088831211 775665374 /nfs/dbraw/zinc/66/53/74/775665374.db2.gz AVCGBUQAQJNHAS-MXWKQRLJSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001088831211 775665381 /nfs/dbraw/zinc/66/53/81/775665381.db2.gz AVCGBUQAQJNHAS-MXWKQRLJSA-N 1 1 317.411 -1.125 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126921431 775665559 /nfs/dbraw/zinc/66/55/59/775665559.db2.gz OLMLFDVISNMSRH-UHFFFAOYSA-N 1 1 318.403 -1.699 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)nn1 ZINC001098667229 775666435 /nfs/dbraw/zinc/66/64/35/775666435.db2.gz UVALWPCIEBAALD-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101124060 775666887 /nfs/dbraw/zinc/66/68/87/775666887.db2.gz JGGYSRXKKJGMIJ-BFVZDQMLSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCOC3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101150934 775668254 /nfs/dbraw/zinc/66/82/54/775668254.db2.gz RMQYZRYZXQBICP-RWSFTLGLSA-N 1 1 324.381 -1.002 20 0 DAADMO CCc1nc(NC[C@@H](O)CNC(=O)CNC(N)=O)cc(C)[nH+]1 ZINC001105710112 775669711 /nfs/dbraw/zinc/66/97/11/775669711.db2.gz AFEDQFAVDRMQCA-SECBINFHSA-N 1 1 310.358 -1.095 20 0 DAADMO CCc1nc(NC[C@H](O)CNC(=O)CNC(N)=O)cc(C)[nH+]1 ZINC001105710113 775669816 /nfs/dbraw/zinc/66/98/16/775669816.db2.gz AFEDQFAVDRMQCA-VIFPVBQESA-N 1 1 310.358 -1.095 20 0 DAADMO Cc1nc(NC[C@@H](O)CNC(=O)CNC(N)=O)c(C)c(C)[nH+]1 ZINC001105711293 775671074 /nfs/dbraw/zinc/67/10/74/775671074.db2.gz ZWGMIWTVAPMXDM-JTQLQIEISA-N 1 1 310.358 -1.041 20 0 DAADMO CCc1cc(NC[C@@H](O)CNC(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001105711001 775671295 /nfs/dbraw/zinc/67/12/95/775671295.db2.gz SBDMOQPRCNCVBB-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)N2CCCC2)n1 ZINC001127035137 775672028 /nfs/dbraw/zinc/67/20/28/775672028.db2.gz DJMJJUYDXUIYJY-UHFFFAOYSA-N 1 1 309.374 -1.174 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)nn1 ZINC001127057046 775673904 /nfs/dbraw/zinc/67/39/04/775673904.db2.gz SNSMQVMNKIZLRQ-SECBINFHSA-N 1 1 323.361 -1.471 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)nn1 ZINC001127057047 775674126 /nfs/dbraw/zinc/67/41/26/775674126.db2.gz SNSMQVMNKIZLRQ-VIFPVBQESA-N 1 1 323.361 -1.471 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001127081867 775675305 /nfs/dbraw/zinc/67/53/05/775675305.db2.gz DVPGKQARQSHZPK-SECBINFHSA-N 1 1 318.403 -1.479 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cc(OC)no1 ZINC001127082452 775675324 /nfs/dbraw/zinc/67/53/24/775675324.db2.gz QTIRKBBSCPGMCI-UHFFFAOYSA-N 1 1 320.371 -1.172 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001127082007 775675571 /nfs/dbraw/zinc/67/55/71/775675571.db2.gz IYIJRNRODCCYCW-UHFFFAOYSA-N 1 1 304.376 -1.742 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001127081868 775675587 /nfs/dbraw/zinc/67/55/87/775675587.db2.gz DVPGKQARQSHZPK-VIFPVBQESA-N 1 1 318.403 -1.479 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001127088106 775675628 /nfs/dbraw/zinc/67/56/28/775675628.db2.gz ODVQILMPNGNIHD-UHFFFAOYSA-N 1 1 305.364 -2.645 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1nccn1C ZINC001127087908 775675709 /nfs/dbraw/zinc/67/57/09/775675709.db2.gz DVKSSXWSEQLNHW-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001127082600 775675734 /nfs/dbraw/zinc/67/57/34/775675734.db2.gz WBRKVNPZWVCVJB-UHFFFAOYSA-N 1 1 317.415 -1.126 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127082242 775675940 /nfs/dbraw/zinc/67/59/40/775675940.db2.gz NBGCIHZCNKRMPN-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO Cc1nc(NC[C@H](O)CNC(=O)Cn2cnnn2)c(C)c(C)[nH+]1 ZINC001105714501 775677525 /nfs/dbraw/zinc/67/75/25/775677525.db2.gz AZIBHKMZFXZNBU-LLVKDONJSA-N 1 1 320.357 -1.022 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@H](OC)C1 ZINC001212149632 775680496 /nfs/dbraw/zinc/68/04/96/775680496.db2.gz CMTPFUOMFFWCMS-YNEHKIRRSA-N 1 1 310.354 -1.087 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105756217 775686671 /nfs/dbraw/zinc/68/66/71/775686671.db2.gz ROCSDAQCIFSLRI-UWVGGRQHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cnc(F)cn2)C1 ZINC001105769446 775689433 /nfs/dbraw/zinc/68/94/33/775689433.db2.gz LUBCEKWFSVWTCN-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cnc(F)cn2)C1 ZINC001105769446 775689438 /nfs/dbraw/zinc/68/94/38/775689438.db2.gz LUBCEKWFSVWTCN-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)CN2CN=NC2=O)nc(C)[nH+]1 ZINC001105794532 775692991 /nfs/dbraw/zinc/69/29/91/775692991.db2.gz GZEGTBMIHYHHIZ-SNVBAGLBSA-N 1 1 321.341 -1.020 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212166075 775695717 /nfs/dbraw/zinc/69/57/17/775695717.db2.gz QPISJBOFUQAALN-VXGBXAGGSA-N 1 1 309.370 -1.128 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212166075 775695722 /nfs/dbraw/zinc/69/57/22/775695722.db2.gz QPISJBOFUQAALN-VXGBXAGGSA-N 1 1 309.370 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105854368 775705174 /nfs/dbraw/zinc/70/51/74/775705174.db2.gz YGHRFNYXNGITIA-NXEZZACHSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001105854260 775706189 /nfs/dbraw/zinc/70/61/89/775706189.db2.gz XEXSYNPLKDCVDB-NXEZZACHSA-N 1 1 320.357 -1.640 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105869244 775706513 /nfs/dbraw/zinc/70/65/13/775706513.db2.gz OCKHHJKPCAKFHC-JTQLQIEISA-N 1 1 322.373 -1.252 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105910223 775710098 /nfs/dbraw/zinc/71/00/98/775710098.db2.gz SKUQYWXHVJXJRJ-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105909729 775710338 /nfs/dbraw/zinc/71/03/38/775710338.db2.gz MLOMFFBQMHVLNX-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1nccn2nnnc12 ZINC001105944147 775716993 /nfs/dbraw/zinc/71/69/93/775716993.db2.gz KLJSWLABDNSMDR-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO CCc1cc(NC[C@H](O)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001105975474 775719902 /nfs/dbraw/zinc/71/99/02/775719902.db2.gz WUWTYQZNMSOXMG-NSHDSACASA-N 1 1 320.357 -1.077 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212183035 775720960 /nfs/dbraw/zinc/72/09/60/775720960.db2.gz PQXSSQUNGHMUGZ-MGPQQGTHSA-N 1 1 324.381 -1.158 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@H](OC)C1 ZINC001212183034 775721009 /nfs/dbraw/zinc/72/10/09/775721009.db2.gz PQXSSQUNGHMUGZ-BFHYXJOUSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CCN1CCNC1=O ZINC001088864244 775726968 /nfs/dbraw/zinc/72/69/68/775726968.db2.gz YHQPWYHPZQVOJO-WYUUTHIRSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106053039 775730558 /nfs/dbraw/zinc/73/05/58/775730558.db2.gz DNGXMJMLJQYZRZ-KXUCPTDWSA-N 1 1 324.389 -1.549 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2nnnn2C)c(C)n1 ZINC001127206403 775733013 /nfs/dbraw/zinc/73/30/13/775733013.db2.gz NMZIHYVCMNAMEV-UHFFFAOYSA-N 1 1 322.373 -1.119 20 0 DAADMO Cn1nnc(CNCCCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001168416881 775733513 /nfs/dbraw/zinc/73/35/13/775733513.db2.gz GNSRRGXDWGPLBY-UHFFFAOYSA-N 1 1 311.390 -1.472 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088895893 775733920 /nfs/dbraw/zinc/73/39/20/775733920.db2.gz CBMRYWIKJIEYSS-UMNHJUIQSA-N 1 1 324.381 -1.343 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cnon2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088932788 775735301 /nfs/dbraw/zinc/73/53/01/775735301.db2.gz WIFXTVNFZWTESI-BDAKNGLRSA-N 1 1 322.325 -1.186 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cnon2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088932788 775735309 /nfs/dbraw/zinc/73/53/09/775735309.db2.gz WIFXTVNFZWTESI-BDAKNGLRSA-N 1 1 322.325 -1.186 20 0 DAADMO Cn1ncc(C(=O)N(CCO)CC[NH2+]Cc2cnns2)n1 ZINC001272277745 775735517 /nfs/dbraw/zinc/73/55/17/775735517.db2.gz NGSYOZHUDNLROX-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC001088926680 775735732 /nfs/dbraw/zinc/73/57/32/775735732.db2.gz LUZXCGHLKDKPFI-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC001088926680 775735738 /nfs/dbraw/zinc/73/57/38/775735738.db2.gz LUZXCGHLKDKPFI-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)c(=O)n1 ZINC001088944521 775735779 /nfs/dbraw/zinc/73/57/79/775735779.db2.gz LWVZUNNWVGDVLM-NEPJUHHUSA-N 1 1 321.381 -1.076 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)c(=O)n1 ZINC001088944521 775735785 /nfs/dbraw/zinc/73/57/85/775735785.db2.gz LWVZUNNWVGDVLM-NEPJUHHUSA-N 1 1 321.381 -1.076 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[N@H+]1CCCO ZINC001088913170 775735889 /nfs/dbraw/zinc/73/58/89/775735889.db2.gz JYNXHDVQXPWBHU-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)CC[N@H+]1CCO ZINC001088913434 775736279 /nfs/dbraw/zinc/73/62/79/775736279.db2.gz WBPUKQRLSYEDID-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@@H+]1CC(N)=O ZINC001088977109 775737006 /nfs/dbraw/zinc/73/70/06/775737006.db2.gz GRLBQLYCTURELX-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CC(N)=O ZINC001088977109 775737010 /nfs/dbraw/zinc/73/70/10/775737010.db2.gz GRLBQLYCTURELX-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001089026105 775739007 /nfs/dbraw/zinc/73/90/07/775739007.db2.gz SZABWJRGOFAVKP-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001089026105 775739015 /nfs/dbraw/zinc/73/90/15/775739015.db2.gz SZABWJRGOFAVKP-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045694 775740129 /nfs/dbraw/zinc/74/01/29/775740129.db2.gz CMYDCVWILIOJIC-OUAUKWLOSA-N 1 1 305.400 -1.097 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212195655 775741517 /nfs/dbraw/zinc/74/15/17/775741517.db2.gz DQSXNCPTUQQTNW-GMTAPVOTSA-N 1 1 301.343 -1.053 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC001089114277 775742102 /nfs/dbraw/zinc/74/21/02/775742102.db2.gz HRKDJUSRDMAWOL-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCc1nc(NC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001106089223 775743869 /nfs/dbraw/zinc/74/38/69/775743869.db2.gz QQGNCPYQNMTSFF-NXEZZACHSA-N 1 1 322.369 -1.082 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)C1 ZINC001272324488 775749852 /nfs/dbraw/zinc/74/98/52/775749852.db2.gz QSCCMTFUXJPOCG-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)C[C@@H]3NC(=O)CNC3=O)C2)C1 ZINC001272324488 775749860 /nfs/dbraw/zinc/74/98/60/775749860.db2.gz QSCCMTFUXJPOCG-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC001089177834 775749973 /nfs/dbraw/zinc/74/99/73/775749973.db2.gz YMDXYEPHOJMSLY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](C[C@@H]1CCCCN1C(=O)C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001089221308 775751329 /nfs/dbraw/zinc/75/13/29/775751329.db2.gz DFICPLQLIFGQJY-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](C[C@@H]1CCCCN1C(=O)C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001089221308 775751340 /nfs/dbraw/zinc/75/13/40/775751340.db2.gz DFICPLQLIFGQJY-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cnn2ccncc12 ZINC001272434267 775759364 /nfs/dbraw/zinc/75/93/64/775759364.db2.gz DDZHWEOBOKTMBS-SNVBAGLBSA-N 1 1 317.309 -1.007 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001212196645 775759851 /nfs/dbraw/zinc/75/98/51/775759851.db2.gz YSPKRMRMFQKCSW-OUAUKWLOSA-N 1 1 317.342 -2.081 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001272460530 775761514 /nfs/dbraw/zinc/76/15/14/775761514.db2.gz CEAJHSNSPWQRAZ-ZETCQYMHSA-N 1 1 320.300 -2.237 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272495624 775765150 /nfs/dbraw/zinc/76/51/50/775765150.db2.gz GHYAVSNYHHUKDT-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)nc1 ZINC001272505827 775766931 /nfs/dbraw/zinc/76/69/31/775766931.db2.gz ZWZHZBWNPAODRP-RYUDHWBXSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)nc1 ZINC001272505829 775767395 /nfs/dbraw/zinc/76/73/95/775767395.db2.gz ZWZHZBWNPAODRP-VXGBXAGGSA-N 1 1 321.381 -1.170 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001272512169 775769050 /nfs/dbraw/zinc/76/90/50/775769050.db2.gz JOWABDZNVQZZIY-VIFPVBQESA-N 1 1 310.358 -1.870 20 0 DAADMO CS(=O)(=O)CCC[NH2+]C[C@@H](O)CNC(=O)c1[nH]ncc1F ZINC001272511936 775769275 /nfs/dbraw/zinc/76/92/75/775769275.db2.gz HYYRXNBDZBURJR-MRVPVSSYSA-N 1 1 322.362 -1.336 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001234245788 775772616 /nfs/dbraw/zinc/77/26/16/775772616.db2.gz FGFNBRKIOQLAFH-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001272555670 775773181 /nfs/dbraw/zinc/77/31/81/775773181.db2.gz PWIRRAHBXNGDNN-CYBMUJFWSA-N 1 1 323.441 -1.535 20 0 DAADMO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001272560055 775776317 /nfs/dbraw/zinc/77/63/17/775776317.db2.gz NJDGEOQLURAGCO-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001272568138 775778666 /nfs/dbraw/zinc/77/86/66/775778666.db2.gz VRFZKOUBHBGZJM-VIFPVBQESA-N 1 1 318.341 -1.329 20 0 DAADMO CN1C[C@@H](C(=O)NCCCCC[NH+]2CCNCC2)NCC1=O ZINC001122194822 775779556 /nfs/dbraw/zinc/77/95/56/775779556.db2.gz KXNGMJUXQISTSD-ZDUSSCGKSA-N 1 1 311.430 -1.392 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001272575814 775779894 /nfs/dbraw/zinc/77/98/94/775779894.db2.gz RIHXWDPSHUKISB-JTQLQIEISA-N 1 1 324.337 -1.301 20 0 DAADMO COC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914327552 775780551 /nfs/dbraw/zinc/78/05/51/775780551.db2.gz OOXJDVMUARSRFM-PWSUYJOCSA-N 1 1 306.384 -1.074 20 0 DAADMO COC(=O)[C@@H](CO)NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914327552 775780585 /nfs/dbraw/zinc/78/05/85/775780585.db2.gz OOXJDVMUARSRFM-PWSUYJOCSA-N 1 1 306.384 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001272574435 775780826 /nfs/dbraw/zinc/78/08/26/775780826.db2.gz HKSOMAGRPRWWEB-MNOVXSKESA-N 1 1 307.416 -1.951 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001272582663 775784035 /nfs/dbraw/zinc/78/40/35/775784035.db2.gz BKVDGPCEABCPAF-GFCCVEGCSA-N 1 1 313.402 -1.826 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001213264750 775791381 /nfs/dbraw/zinc/79/13/81/775791381.db2.gz CEIRXHCWMQCLNQ-QJPTWQEYSA-N 1 1 324.385 -1.395 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001213264750 775791385 /nfs/dbraw/zinc/79/13/85/775791385.db2.gz CEIRXHCWMQCLNQ-QJPTWQEYSA-N 1 1 324.385 -1.395 20 0 DAADMO COCCCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001280557860 775793937 /nfs/dbraw/zinc/79/39/37/775793937.db2.gz FPPFPXLEJPVGSV-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@H]1C(N)=O ZINC001272627907 775793986 /nfs/dbraw/zinc/79/39/86/775793986.db2.gz BKHGJVINXBCYSW-SRVKXCTJSA-N 1 1 307.354 -1.466 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1Cc2ccnn2CC[C@H]1C(N)=O ZINC001272627907 775793989 /nfs/dbraw/zinc/79/39/89/775793989.db2.gz BKHGJVINXBCYSW-SRVKXCTJSA-N 1 1 307.354 -1.466 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CC(C)(C)O ZINC001212206496 775794520 /nfs/dbraw/zinc/79/45/20/775794520.db2.gz WWHRKKYKAWRZKP-VXGBXAGGSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 ZINC001212206120 775794897 /nfs/dbraw/zinc/79/48/97/775794897.db2.gz JAEMMLDORHKBGL-QJPTWQEYSA-N 1 1 304.387 -1.030 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H](C(N)=O)n2nccc2C1 ZINC001272625299 775795041 /nfs/dbraw/zinc/79/50/41/775795041.db2.gz JZMPFAKYEVKQSV-TUAOUCFPSA-N 1 1 307.354 -1.293 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H](C(N)=O)n2nccc2C1 ZINC001272625299 775795049 /nfs/dbraw/zinc/79/50/49/775795049.db2.gz JZMPFAKYEVKQSV-TUAOUCFPSA-N 1 1 307.354 -1.293 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)NCC2COC2)C1 ZINC001272630409 775795297 /nfs/dbraw/zinc/79/52/97/775795297.db2.gz WCHSDBKQJSEINC-XQQFMLRXSA-N 1 1 323.393 -1.338 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212209332 775798120 /nfs/dbraw/zinc/79/81/20/775798120.db2.gz XIEMFPSUBWQFDZ-OUAUKWLOSA-N 1 1 301.343 -1.053 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](OC)C1 ZINC001212216388 775799648 /nfs/dbraw/zinc/79/96/48/775799648.db2.gz LBXVOHCHPKRNNC-HOSYDEDBSA-N 1 1 313.358 -1.749 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218655 775800236 /nfs/dbraw/zinc/80/02/36/775800236.db2.gz CQQWUBAJRPAKKG-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218655 775800244 /nfs/dbraw/zinc/80/02/44/775800244.db2.gz CQQWUBAJRPAKKG-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123626963 775800391 /nfs/dbraw/zinc/80/03/91/775800391.db2.gz OEFMAFKUYCLPEX-WDEREUQCSA-N 1 1 304.416 -1.570 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2ncnn2)n1C1CC1 ZINC001127433673 775801428 /nfs/dbraw/zinc/80/14/28/775801428.db2.gz TUDBMRGMEMWLDC-UHFFFAOYSA-N 1 1 305.346 -1.186 20 0 DAADMO CC1(C)C[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001089476895 775807105 /nfs/dbraw/zinc/80/71/05/775807105.db2.gz SGTIITGNHCOIDW-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001089476893 775808399 /nfs/dbraw/zinc/80/83/99/775808399.db2.gz SGTIITGNHCOIDW-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212270022 775813631 /nfs/dbraw/zinc/81/36/31/775813631.db2.gz BTSANUCDWAROKT-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cnnn2)C1 ZINC001089771544 775816410 /nfs/dbraw/zinc/81/64/10/775816410.db2.gz ZZISNTDDQNRGIT-BJDJZHNGSA-N 1 1 319.369 -1.673 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001212284539 775816486 /nfs/dbraw/zinc/81/64/86/775816486.db2.gz FCGITFBSCURUEZ-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001212281808 775816766 /nfs/dbraw/zinc/81/67/66/775816766.db2.gz BQMIFNKMKMSQFF-QJPTWQEYSA-N 1 1 312.374 -1.351 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001089785978 775816968 /nfs/dbraw/zinc/81/69/68/775816968.db2.gz FISKSCQNAXRSKA-USZNOCQGSA-N 1 1 308.382 -1.223 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC001212284623 775817026 /nfs/dbraw/zinc/81/70/26/775817026.db2.gz IMVPSVKAYBACAR-VXGBXAGGSA-N 1 1 312.374 -1.087 20 0 DAADMO COCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214352966 775817647 /nfs/dbraw/zinc/81/76/47/775817647.db2.gz AMCNPGCZWUZRAJ-GHMZBOCLSA-N 1 1 312.374 -1.190 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@H](OC)C1 ZINC001212330307 775818125 /nfs/dbraw/zinc/81/81/25/775818125.db2.gz OJEPGEYJYKXDLN-QJPTWQEYSA-N 1 1 313.358 -1.899 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818845 775818899 /nfs/dbraw/zinc/81/88/99/775818899.db2.gz YPELACHHHZRTBW-YFKTTZPYSA-N 1 1 319.369 -1.673 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1nccnc1N ZINC001272696748 775819024 /nfs/dbraw/zinc/81/90/24/775819024.db2.gz YNGIXHBFAJPZFU-QMMMGPOBSA-N 1 1 305.346 -1.120 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)nn1C ZINC001127652845 775819759 /nfs/dbraw/zinc/81/97/59/775819759.db2.gz FIOXTWPRRQMJIG-UHFFFAOYSA-N 1 1 320.357 -1.675 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001127652964 775820933 /nfs/dbraw/zinc/82/09/33/775820933.db2.gz IHEGLMGLYANNPX-UHFFFAOYSA-N 1 1 306.330 -1.984 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089854056 775822026 /nfs/dbraw/zinc/82/20/26/775822026.db2.gz ZPHPYBDQGOXCLP-SYEHKZFSSA-N 1 1 318.381 -1.031 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1ncccn1 ZINC001127653597 775822055 /nfs/dbraw/zinc/82/20/55/775822055.db2.gz ZLARBHDUPNDFHJ-SECBINFHSA-N 1 1 318.341 -1.366 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(N)=O)C2)nn1 ZINC001089852169 775822093 /nfs/dbraw/zinc/82/20/93/775822093.db2.gz CBLIYTLOAGJMLX-BQUFFADESA-N 1 1 318.381 -1.031 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC[N@H+]1C ZINC001127700688 775826231 /nfs/dbraw/zinc/82/62/31/775826231.db2.gz ACSCXUZZPSPWQA-NWDGAFQWSA-N 1 1 320.459 -1.028 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCC(=O)N1 ZINC001124804642 775830103 /nfs/dbraw/zinc/83/01/03/775830103.db2.gz DODNIODUMQEGNL-SECBINFHSA-N 1 1 308.342 -1.707 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124879331 775833037 /nfs/dbraw/zinc/83/30/37/775833037.db2.gz RPGSCZDDWGFMRX-QWHCGFSZSA-N 1 1 303.403 -1.190 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001098810788 775834633 /nfs/dbraw/zinc/83/46/33/775834633.db2.gz AYUBCTIEYWSFJQ-WFASDCNBSA-N 1 1 308.382 -1.079 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001098810788 775834641 /nfs/dbraw/zinc/83/46/41/775834641.db2.gz AYUBCTIEYWSFJQ-WFASDCNBSA-N 1 1 308.382 -1.079 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107119484 775845888 /nfs/dbraw/zinc/84/58/88/775845888.db2.gz BZQPUIQHYQZGEW-VHSXEESVSA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 ZINC001107123967 775847183 /nfs/dbraw/zinc/84/71/83/775847183.db2.gz SBQBUQLURMQFCY-QMMMGPOBSA-N 1 1 311.346 -2.200 20 0 DAADMO CCC(=O)NCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107146000 775849649 /nfs/dbraw/zinc/84/96/49/775849649.db2.gz RDXBADBSPZQYOC-SNVBAGLBSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)OC)C2)nn1 ZINC001107164126 775850725 /nfs/dbraw/zinc/85/07/25/775850725.db2.gz RILSTAFSVKSDFN-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO O=C(Cn1nccn1)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107175723 775852738 /nfs/dbraw/zinc/85/27/38/775852738.db2.gz SIEXJMHZFWVREJ-UHFFFAOYSA-N 1 1 320.357 -1.575 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 ZINC001107180173 775852966 /nfs/dbraw/zinc/85/29/66/775852966.db2.gz FNGATEJSLQISOM-VIFPVBQESA-N 1 1 324.385 -1.357 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 ZINC001107180172 775853102 /nfs/dbraw/zinc/85/31/02/775853102.db2.gz FNGATEJSLQISOM-SECBINFHSA-N 1 1 324.385 -1.357 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3CCOCC3=O)nn2)C1 ZINC001107178324 775853226 /nfs/dbraw/zinc/85/32/26/775853226.db2.gz SFBJRXPQVVRFFX-UHFFFAOYSA-N 1 1 322.369 -1.370 20 0 DAADMO CC(C)(C(N)=O)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107180313 775853769 /nfs/dbraw/zinc/85/37/69/775853769.db2.gz MECWWDUVHZBULW-UHFFFAOYSA-N 1 1 324.385 -1.355 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)nn2)C1 ZINC001107180462 775853819 /nfs/dbraw/zinc/85/38/19/775853819.db2.gz SSWVROSQOICTHU-JTQLQIEISA-N 1 1 321.341 -1.631 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)Cn3ncn(C)c3=O)nn2)C1 ZINC001107184261 775855081 /nfs/dbraw/zinc/85/50/81/775855081.db2.gz GHSIFFHTBALLGR-UHFFFAOYSA-N 1 1 320.357 -1.634 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3CCNC(=O)C3)nn2)C1 ZINC001107191192 775855336 /nfs/dbraw/zinc/85/53/36/775855336.db2.gz OSEVXNIULSGGFE-UHFFFAOYSA-N 1 1 321.385 -1.797 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 ZINC001107219726 775856795 /nfs/dbraw/zinc/85/67/95/775856795.db2.gz UTKWTHJZOCEQFN-SNVBAGLBSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202242 775857353 /nfs/dbraw/zinc/85/73/53/775857353.db2.gz YBVCDRYAKTWBME-VIFPVBQESA-N 1 1 310.358 -1.603 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)CC2(CCOCC2)C1 ZINC001099561680 775860009 /nfs/dbraw/zinc/86/00/09/775860009.db2.gz CGTFGGXKYDJHGK-NSHDSACASA-N 1 1 314.386 -1.366 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001107411714 775861686 /nfs/dbraw/zinc/86/16/86/775861686.db2.gz AVZVNYZZHIBYIA-ZWNOBZJWSA-N 1 1 307.358 -1.481 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001127777763 775862296 /nfs/dbraw/zinc/86/22/96/775862296.db2.gz BOOKIECLSDCQCR-CHWSQXEVSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779747 775863150 /nfs/dbraw/zinc/86/31/50/775863150.db2.gz RMBUAOKPQVGHQR-VXGBXAGGSA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779173 775863235 /nfs/dbraw/zinc/86/32/35/775863235.db2.gz JTPBELZMHCFKIC-NXEZZACHSA-N 1 1 310.358 -1.421 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779744 775863378 /nfs/dbraw/zinc/86/33/78/775863378.db2.gz RMBUAOKPQVGHQR-NEPJUHHUSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1[nH]c(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780082 775863809 /nfs/dbraw/zinc/86/38/09/775863809.db2.gz VROLGGVSWSIDJB-WDEREUQCSA-N 1 1 324.385 -1.823 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780218 775864038 /nfs/dbraw/zinc/86/40/38/775864038.db2.gz XDYHPNXFDUBYFY-WCQYABFASA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780218 775864046 /nfs/dbraw/zinc/86/40/46/775864046.db2.gz XDYHPNXFDUBYFY-WCQYABFASA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779971 775864743 /nfs/dbraw/zinc/86/47/43/775864743.db2.gz UOLIYJREQDZQSL-GHMZBOCLSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779731 775864872 /nfs/dbraw/zinc/86/48/72/775864872.db2.gz RGAZEEFHYDPYEA-MNOVXSKESA-N 1 1 309.374 -1.721 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780051 775865040 /nfs/dbraw/zinc/86/50/40/775865040.db2.gz VERDFCOPPCSHMB-NEPJUHHUSA-N 1 1 319.427 -1.400 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780051 775865044 /nfs/dbraw/zinc/86/50/44/775865044.db2.gz VERDFCOPPCSHMB-NEPJUHHUSA-N 1 1 319.427 -1.400 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107636579 775866366 /nfs/dbraw/zinc/86/63/66/775866366.db2.gz GFQYBSIBXDEGQB-DGCLKSJQSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@H](CNc1ccc2nnnn2n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001107666786 775867863 /nfs/dbraw/zinc/86/78/63/775867863.db2.gz ICRNMFWWZJZZPC-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNc1ccc2nnnn2n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001107666786 775867869 /nfs/dbraw/zinc/86/78/69/775867869.db2.gz ICRNMFWWZJZZPC-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724072 775870248 /nfs/dbraw/zinc/87/02/48/775870248.db2.gz JEWZOAPRUNTOHJ-GWCFXTLKSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724072 775870254 /nfs/dbraw/zinc/87/02/54/775870254.db2.gz JEWZOAPRUNTOHJ-GWCFXTLKSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727901 775872022 /nfs/dbraw/zinc/87/20/22/775872022.db2.gz LLWCFSAGZCOUDX-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727901 775872030 /nfs/dbraw/zinc/87/20/30/775872030.db2.gz LLWCFSAGZCOUDX-YPMHNXCESA-N 1 1 312.374 -1.085 20 0 DAADMO COCCC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724441 775872552 /nfs/dbraw/zinc/87/25/52/775872552.db2.gz PUUJTJJXPHFRSN-ZDUSSCGKSA-N 1 1 302.375 -1.102 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127860898 775875910 /nfs/dbraw/zinc/87/59/10/775875910.db2.gz RNHLASJEJQMEGK-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001127860560 775876017 /nfs/dbraw/zinc/87/60/17/775876017.db2.gz QXFGIEMMKPARHJ-SNVBAGLBSA-N 1 1 317.415 -1.046 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001127860559 775876928 /nfs/dbraw/zinc/87/69/28/775876928.db2.gz QXFGIEMMKPARHJ-JTQLQIEISA-N 1 1 317.415 -1.046 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832156 775877853 /nfs/dbraw/zinc/87/78/53/775877853.db2.gz SZTDCXONRGLSQI-MFKMUULPSA-N 1 1 303.359 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832156 775877862 /nfs/dbraw/zinc/87/78/62/775877862.db2.gz SZTDCXONRGLSQI-MFKMUULPSA-N 1 1 303.359 -1.924 20 0 DAADMO C[C@]1(CNC(=O)CC(N)=O)C[N@H+](CCn2cccn2)CCO1 ZINC001107831656 775879987 /nfs/dbraw/zinc/87/99/87/775879987.db2.gz HWCXINOGHCGJSL-AWEZNQCLSA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@]1(CNC(=O)CC(N)=O)C[N@@H+](CCn2cccn2)CCO1 ZINC001107831656 775879992 /nfs/dbraw/zinc/87/99/92/775879992.db2.gz HWCXINOGHCGJSL-AWEZNQCLSA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879258 775881593 /nfs/dbraw/zinc/88/15/93/775881593.db2.gz VKRHGIUUESNQKM-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879258 775881602 /nfs/dbraw/zinc/88/16/02/775881602.db2.gz VKRHGIUUESNQKM-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107883260 775881789 /nfs/dbraw/zinc/88/17/89/775881789.db2.gz OZHHIFFUJBZYIF-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107883260 775881795 /nfs/dbraw/zinc/88/17/95/775881795.db2.gz OZHHIFFUJBZYIF-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)c2ccncc2)nn1 ZINC001127908899 775883605 /nfs/dbraw/zinc/88/36/05/775883605.db2.gz XPQBBVZSNFKUJH-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887092 775883884 /nfs/dbraw/zinc/88/38/84/775883884.db2.gz RZZSUEVDJWVJFJ-ZWNOBZJWSA-N 1 1 313.358 -1.428 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887092 775883897 /nfs/dbraw/zinc/88/38/97/775883897.db2.gz RZZSUEVDJWVJFJ-ZWNOBZJWSA-N 1 1 313.358 -1.428 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107895104 775884792 /nfs/dbraw/zinc/88/47/92/775884792.db2.gz GFYRNEZCFMEJSQ-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107895104 775884795 /nfs/dbraw/zinc/88/47/95/775884795.db2.gz GFYRNEZCFMEJSQ-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127918052 775885069 /nfs/dbraw/zinc/88/50/69/775885069.db2.gz JXRHHFFEJXVZCO-NSHDSACASA-N 1 1 324.385 -1.683 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107920185 775886808 /nfs/dbraw/zinc/88/68/08/775886808.db2.gz NLIRZHZOBCQEFB-BXUZGUMPSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107920185 775886819 /nfs/dbraw/zinc/88/68/19/775886819.db2.gz NLIRZHZOBCQEFB-BXUZGUMPSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@]1(CNC(=O)Cn2ncnn2)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107948837 775890141 /nfs/dbraw/zinc/89/01/41/775890141.db2.gz YUQXSZFMTFYCMZ-TZMCWYRMSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@]1(CNC(=O)Cn2ncnn2)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107948801 775890696 /nfs/dbraw/zinc/89/06/96/775890696.db2.gz YUQXSZFMTFYCMZ-GXTWGEPZSA-N 1 1 324.385 -1.083 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952724 775891066 /nfs/dbraw/zinc/89/10/66/775891066.db2.gz KGXPUQAFYOPRHI-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952724 775891069 /nfs/dbraw/zinc/89/10/69/775891069.db2.gz KGXPUQAFYOPRHI-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127983852 775893841 /nfs/dbraw/zinc/89/38/41/775893841.db2.gz CJOLFLWIWHKGJF-VIFPVBQESA-N 1 1 310.358 -1.944 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212359227 775894150 /nfs/dbraw/zinc/89/41/50/775894150.db2.gz RPBLFRGTTJIPHT-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001212358916 775894774 /nfs/dbraw/zinc/89/47/74/775894774.db2.gz AOXZOBCPJZEPJX-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN(C)C(=O)C(C)C ZINC001212357417 775895175 /nfs/dbraw/zinc/89/51/75/775895175.db2.gz HEQJWAJFQWNZIR-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](OC)C1 ZINC001212359334 775895248 /nfs/dbraw/zinc/89/52/48/775895248.db2.gz XZVISXJOTOGVGU-GHMZBOCLSA-N 1 1 323.415 -1.660 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212373561 775895935 /nfs/dbraw/zinc/89/59/35/775895935.db2.gz ULTROWBEOUEGPD-GHMZBOCLSA-N 1 1 318.374 -2.260 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1OC ZINC001212369955 775895999 /nfs/dbraw/zinc/89/59/99/775895999.db2.gz GHLMLTSLBGWGGH-GHMZBOCLSA-N 1 1 302.375 -1.233 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001212365809 775896374 /nfs/dbraw/zinc/89/63/74/775896374.db2.gz NFMQVVLUKYKTSN-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1OC ZINC001212375567 775897313 /nfs/dbraw/zinc/89/73/13/775897313.db2.gz ISLFIXXIFXOIBM-HBNTYKKESA-N 1 1 302.375 -1.234 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001127986017 775897422 /nfs/dbraw/zinc/89/74/22/775897422.db2.gz SWCMTSYJVVQULN-JTQLQIEISA-N 1 1 324.385 -1.071 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001127999358 775898308 /nfs/dbraw/zinc/89/83/08/775898308.db2.gz NWUVPHJBDPTSTB-VHSXEESVSA-N 1 1 312.374 -1.267 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001127993923 775899104 /nfs/dbraw/zinc/89/91/04/775899104.db2.gz ONUOOOSKRIWFRU-BDAKNGLRSA-N 1 1 313.362 -1.872 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cnns1 ZINC001127999634 775899308 /nfs/dbraw/zinc/89/93/08/775899308.db2.gz SODKRTKSEMCGDS-MRVPVSSYSA-N 1 1 301.372 -1.105 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)CN2CC(=O)NC2=O)o1 ZINC001168607496 775901335 /nfs/dbraw/zinc/90/13/35/775901335.db2.gz UMMNNGVSUNBWSW-UHFFFAOYSA-N 1 1 324.341 -1.220 20 0 DAADMO C[C@]1(CNC(=O)CCNS(C)(=O)=O)C[N@H+](CCO)CCO1 ZINC001107980234 775901855 /nfs/dbraw/zinc/90/18/55/775901855.db2.gz QNSDTLSIADEFFT-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@]1(CNC(=O)CCNS(C)(=O)=O)C[N@@H+](CCO)CCO1 ZINC001107980234 775901862 /nfs/dbraw/zinc/90/18/62/775901862.db2.gz QNSDTLSIADEFFT-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107979139 775902151 /nfs/dbraw/zinc/90/21/51/775902151.db2.gz AYFXTHNMATWURC-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107979139 775902157 /nfs/dbraw/zinc/90/21/57/775902157.db2.gz AYFXTHNMATWURC-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607317 775903076 /nfs/dbraw/zinc/90/30/76/775903076.db2.gz KYZDGVLZKLFNJM-WDEREUQCSA-N 1 1 305.400 -1.503 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607317 775903087 /nfs/dbraw/zinc/90/30/87/775903087.db2.gz KYZDGVLZKLFNJM-WDEREUQCSA-N 1 1 305.400 -1.503 20 0 DAADMO C[C@@H](O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128032115 775903582 /nfs/dbraw/zinc/90/35/82/775903582.db2.gz BAJGMZCCLUGMDB-RKDXNWHRSA-N 1 1 310.358 -1.945 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099610193 775905304 /nfs/dbraw/zinc/90/53/04/775905304.db2.gz IBZONWBYGOQACG-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001099610193 775905311 /nfs/dbraw/zinc/90/53/11/775905311.db2.gz IBZONWBYGOQACG-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099610196 775905492 /nfs/dbraw/zinc/90/54/92/775905492.db2.gz IBZONWBYGOQACG-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099610196 775905506 /nfs/dbraw/zinc/90/55/06/775905506.db2.gz IBZONWBYGOQACG-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000300179315 775906557 /nfs/dbraw/zinc/90/65/57/775906557.db2.gz NKQCAKIMNAAYJF-WDEREUQCSA-N 1 1 321.399 -1.163 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128048041 775908312 /nfs/dbraw/zinc/90/83/12/775908312.db2.gz KZXFTYZRIKWIHG-NXEZZACHSA-N 1 1 324.385 -1.291 20 0 DAADMO COc1cncc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)n1 ZINC001128105116 775915465 /nfs/dbraw/zinc/91/54/65/775915465.db2.gz SSPVULFTOVJQSU-UHFFFAOYSA-N 1 1 314.367 -1.264 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)n1 ZINC001089951574 775915935 /nfs/dbraw/zinc/91/59/35/775915935.db2.gz MRJNSNLGUHDSMR-NSHDSACASA-N 1 1 324.385 -1.197 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128107918 775916765 /nfs/dbraw/zinc/91/67/65/775916765.db2.gz CLHQQROKOXQPGC-UHFFFAOYSA-N 1 1 315.399 -1.143 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)cc1=O ZINC001108004752 775919186 /nfs/dbraw/zinc/91/91/86/775919186.db2.gz BRABTYYLGMQFEX-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)cc1=O ZINC001108004752 775919201 /nfs/dbraw/zinc/91/92/01/775919201.db2.gz BRABTYYLGMQFEX-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001108036183 775927537 /nfs/dbraw/zinc/92/75/37/775927537.db2.gz MNJASBZDXHVKDH-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001108036183 775927542 /nfs/dbraw/zinc/92/75/42/775927542.db2.gz MNJASBZDXHVKDH-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccnnc1 ZINC001083804323 775929160 /nfs/dbraw/zinc/92/91/60/775929160.db2.gz AAVPHSYIKVSCCE-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccnnc1 ZINC001083804323 775929166 /nfs/dbraw/zinc/92/91/66/775929166.db2.gz AAVPHSYIKVSCCE-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[C@@H]1CC12CC2 ZINC001083808267 775929986 /nfs/dbraw/zinc/92/99/86/775929986.db2.gz FYLXUBPPHIMDCL-AXFHLTTASA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)[C@@H]1CC12CC2 ZINC001083808267 775929996 /nfs/dbraw/zinc/92/99/96/775929996.db2.gz FYLXUBPPHIMDCL-AXFHLTTASA-N 1 1 322.365 -1.500 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)NCC(F)F)C[N@H+](CCCO)CCO1 ZINC001108039528 775930068 /nfs/dbraw/zinc/93/00/68/775930068.db2.gz CAORLWLPSGPKDB-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO C[C@@]1(CNC(=O)C(=O)NCC(F)F)C[N@@H+](CCCO)CCO1 ZINC001108039528 775930079 /nfs/dbraw/zinc/93/00/79/775930079.db2.gz CAORLWLPSGPKDB-CYBMUJFWSA-N 1 1 323.340 -1.043 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645605 775932831 /nfs/dbraw/zinc/93/28/31/775932831.db2.gz VMZZHRYYHDQJAV-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCc1nccn1C ZINC001212446304 775932849 /nfs/dbraw/zinc/93/28/49/775932849.db2.gz OZKZRQOLHGPSOK-VXGBXAGGSA-N 1 1 312.370 -1.256 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCS(C)(=O)=O ZINC001117079229 775932931 /nfs/dbraw/zinc/93/29/31/775932931.db2.gz HFLTZINTNDXFOB-MNOVXSKESA-N 1 1 319.427 -1.054 20 0 DAADMO CC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089977748 775934659 /nfs/dbraw/zinc/93/46/59/775934659.db2.gz XYCFZJXANIQTGO-VXGBXAGGSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089977748 775934670 /nfs/dbraw/zinc/93/46/70/775934670.db2.gz XYCFZJXANIQTGO-VXGBXAGGSA-N 1 1 305.400 -1.407 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccn2nnnc12 ZINC001128194619 775935318 /nfs/dbraw/zinc/93/53/18/775935318.db2.gz LOBYLAOQVSDKBY-UHFFFAOYSA-N 1 1 302.302 -1.833 20 0 DAADMO O=C(Cn1nccn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001128269919 775937567 /nfs/dbraw/zinc/93/75/67/775937567.db2.gz XKAFUPUJASBYHG-UHFFFAOYSA-N 1 1 306.330 -1.694 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)Cn1nccn1 ZINC001128273179 775939926 /nfs/dbraw/zinc/93/99/26/775939926.db2.gz HFYMEAHEYPJMMV-UHFFFAOYSA-N 1 1 307.362 -1.029 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1)N1CCOCC1 ZINC001089984175 775941607 /nfs/dbraw/zinc/94/16/07/775941607.db2.gz QJPFLBIEFRMSAN-VHSXEESVSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1)N1CCOCC1 ZINC001089984175 775941618 /nfs/dbraw/zinc/94/16/18/775941618.db2.gz QJPFLBIEFRMSAN-VHSXEESVSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001212483178 775942628 /nfs/dbraw/zinc/94/26/28/775942628.db2.gz DODYPBSMYRSJTB-GHMZBOCLSA-N 1 1 300.359 -1.926 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)C(F)F ZINC001089990624 775944004 /nfs/dbraw/zinc/94/40/04/775944004.db2.gz SEFMXTQONKLOJW-BDAKNGLRSA-N 1 1 306.313 -1.172 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001089989485 775944320 /nfs/dbraw/zinc/94/43/20/775944320.db2.gz YGVKVDOJESSMQM-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833890 775944695 /nfs/dbraw/zinc/94/46/95/775944695.db2.gz GAHJUFYHKXQWMI-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833890 775944706 /nfs/dbraw/zinc/94/47/06/775944706.db2.gz GAHJUFYHKXQWMI-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032833947 775945229 /nfs/dbraw/zinc/94/52/29/775945229.db2.gz VAOZDOLDACONDR-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032833947 775945237 /nfs/dbraw/zinc/94/52/37/775945237.db2.gz VAOZDOLDACONDR-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001089994523 775946992 /nfs/dbraw/zinc/94/69/92/775946992.db2.gz WEEPVALSJYSKSG-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001089994155 775948266 /nfs/dbraw/zinc/94/82/66/775948266.db2.gz UGDZSFXGOBFQQE-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1)N1CCOCC1 ZINC001089994155 775948270 /nfs/dbraw/zinc/94/82/70/775948270.db2.gz UGDZSFXGOBFQQE-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108056049 775949469 /nfs/dbraw/zinc/94/94/69/775949469.db2.gz WDQXEGHQMWRTDU-OAHLLOKOSA-N 1 1 324.381 -1.063 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108056049 775949479 /nfs/dbraw/zinc/94/94/79/775949479.db2.gz WDQXEGHQMWRTDU-OAHLLOKOSA-N 1 1 324.381 -1.063 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001117298212 775950253 /nfs/dbraw/zinc/95/02/53/775950253.db2.gz RPGJMGWVPBKKSI-UHFFFAOYSA-N 1 1 323.353 -1.717 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099650858 775956429 /nfs/dbraw/zinc/95/64/29/775956429.db2.gz LQVWBCNBPGEZSK-NXEZZACHSA-N 1 1 304.347 -2.785 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090047392 775956805 /nfs/dbraw/zinc/95/68/05/775956805.db2.gz SRMMCOVIOFDMHD-CHWSQXEVSA-N 1 1 322.365 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC001090047392 775956815 /nfs/dbraw/zinc/95/68/15/775956815.db2.gz SRMMCOVIOFDMHD-CHWSQXEVSA-N 1 1 322.365 -1.427 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001090053927 775957487 /nfs/dbraw/zinc/95/74/87/775957487.db2.gz GFZPSBVWTSLXMF-AOXPZSFVSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001090053927 775957494 /nfs/dbraw/zinc/95/74/94/775957494.db2.gz GFZPSBVWTSLXMF-AOXPZSFVSA-N 1 1 300.750 -1.023 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC001090054079 775957664 /nfs/dbraw/zinc/95/76/64/775957664.db2.gz HGQJVNNUOGRXIM-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC001090054079 775957673 /nfs/dbraw/zinc/95/76/73/775957673.db2.gz HGQJVNNUOGRXIM-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001090053932 775958314 /nfs/dbraw/zinc/95/83/14/775958314.db2.gz GFZPSBVWTSLXMF-LPVNXEGMSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001090053932 775958324 /nfs/dbraw/zinc/95/83/24/775958324.db2.gz GFZPSBVWTSLXMF-LPVNXEGMSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090055455 775958756 /nfs/dbraw/zinc/95/87/56/775958756.db2.gz SLJZCCXIENHWHA-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055207 775958781 /nfs/dbraw/zinc/95/87/81/775958781.db2.gz PPQPMPQXDNZMNB-UWVGGRQHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055207 775958788 /nfs/dbraw/zinc/95/87/88/775958788.db2.gz PPQPMPQXDNZMNB-UWVGGRQHSA-N 1 1 311.346 -2.687 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054067 775958901 /nfs/dbraw/zinc/95/89/01/775958901.db2.gz HBWYVPNIMWFJAO-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090054067 775958906 /nfs/dbraw/zinc/95/89/06/775958906.db2.gz HBWYVPNIMWFJAO-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055575 775959288 /nfs/dbraw/zinc/95/92/88/775959288.db2.gz VIXWWDPXWCTXRK-GHMZBOCLSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055575 775959301 /nfs/dbraw/zinc/95/93/01/775959301.db2.gz VIXWWDPXWCTXRK-GHMZBOCLSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC001090054080 775959559 /nfs/dbraw/zinc/95/95/59/775959559.db2.gz HGQJVNNUOGRXIM-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC001090054080 775959568 /nfs/dbraw/zinc/95/95/68/775959568.db2.gz HGQJVNNUOGRXIM-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001090055676 775959681 /nfs/dbraw/zinc/95/96/81/775959681.db2.gz XCIFWQUULZRRSI-OLZOCXBDSA-N 1 1 324.385 -1.206 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056619 775960193 /nfs/dbraw/zinc/96/01/93/775960193.db2.gz HBGRFBCPPDZUCJ-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056619 775960201 /nfs/dbraw/zinc/96/02/01/775960201.db2.gz HBGRFBCPPDZUCJ-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090057144 775960943 /nfs/dbraw/zinc/96/09/43/775960943.db2.gz JTPRFUNDPFUBHC-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)cn1 ZINC001090057144 775960955 /nfs/dbraw/zinc/96/09/55/775960955.db2.gz JTPRFUNDPFUBHC-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001090055679 775960999 /nfs/dbraw/zinc/96/09/99/775960999.db2.gz XDPOFWRIMNGGQD-GHMZBOCLSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001090055679 775961005 /nfs/dbraw/zinc/96/10/05/775961005.db2.gz XDPOFWRIMNGGQD-GHMZBOCLSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001090056756 775961708 /nfs/dbraw/zinc/96/17/08/775961708.db2.gz IBLGZBUGLTXOMB-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001090056756 775961717 /nfs/dbraw/zinc/96/17/17/775961717.db2.gz IBLGZBUGLTXOMB-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056620 775961868 /nfs/dbraw/zinc/96/18/68/775961868.db2.gz HBGRFBCPPDZUCJ-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090056620 775961880 /nfs/dbraw/zinc/96/18/80/775961880.db2.gz HBGRFBCPPDZUCJ-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651904 775962796 /nfs/dbraw/zinc/96/27/96/775962796.db2.gz XGJQARWVJCVKAB-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651901 775963780 /nfs/dbraw/zinc/96/37/80/775963780.db2.gz XGJQARWVJCVKAB-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC001090061851 775965172 /nfs/dbraw/zinc/96/51/72/775965172.db2.gz TYSJNEYXKUGWOB-STQMWFEESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)cn1 ZINC001090061851 775965179 /nfs/dbraw/zinc/96/51/79/775965179.db2.gz TYSJNEYXKUGWOB-STQMWFEESA-N 1 1 321.381 -1.183 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c(C)nn1C ZINC001083827403 775969441 /nfs/dbraw/zinc/96/94/41/775969441.db2.gz RBRIYMDGTWIRSK-MNOVXSKESA-N 1 1 312.370 -1.106 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083828458 775971316 /nfs/dbraw/zinc/97/13/16/775971316.db2.gz UBKCNBBXXQDWCZ-NEPJUHHUSA-N 1 1 324.381 -1.485 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095817 775971452 /nfs/dbraw/zinc/97/14/52/775971452.db2.gz GBXSUNAUYXJRLL-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168732222 775971647 /nfs/dbraw/zinc/97/16/47/775971647.db2.gz ZNZVCZYYXWPJJK-WDEREUQCSA-N 1 1 315.374 -1.073 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168732222 775971656 /nfs/dbraw/zinc/97/16/56/775971656.db2.gz ZNZVCZYYXWPJJK-WDEREUQCSA-N 1 1 315.374 -1.073 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccn[nH]1 ZINC001090101130 775972444 /nfs/dbraw/zinc/97/24/44/775972444.db2.gz VRHYLRLGUCNMHJ-PWSUYJOCSA-N 1 1 305.342 -1.134 20 0 DAADMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083832806 775972765 /nfs/dbraw/zinc/97/27/65/775972765.db2.gz WAUIPRMHUDRGSZ-AGIUHOORSA-N 1 1 312.414 -1.104 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)NCCCN1CCCC1=O ZINC001117547865 775972826 /nfs/dbraw/zinc/97/28/26/775972826.db2.gz MZHCXQUJJGBCCR-STQMWFEESA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)NCCCN1CCCC1=O ZINC001117547865 775972837 /nfs/dbraw/zinc/97/28/37/775972837.db2.gz MZHCXQUJJGBCCR-STQMWFEESA-N 1 1 313.398 -1.210 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC001090103484 775975021 /nfs/dbraw/zinc/97/50/21/775975021.db2.gz JTWJFRHUCQOZLJ-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]n1 ZINC001090103484 775975029 /nfs/dbraw/zinc/97/50/29/775975029.db2.gz JTWJFRHUCQOZLJ-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC001090103482 775976046 /nfs/dbraw/zinc/97/60/46/775976046.db2.gz JTWJFRHUCQOZLJ-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]n1 ZINC001090103482 775976050 /nfs/dbraw/zinc/97/60/50/775976050.db2.gz JTWJFRHUCQOZLJ-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069558 775977212 /nfs/dbraw/zinc/97/72/12/775977212.db2.gz JWPIZNKYFYBCHO-LBPRGKRZSA-N 1 1 310.398 -1.572 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069558 775977219 /nfs/dbraw/zinc/97/72/19/775977219.db2.gz JWPIZNKYFYBCHO-LBPRGKRZSA-N 1 1 310.398 -1.572 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CC[C@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069051 775977922 /nfs/dbraw/zinc/97/79/22/775977922.db2.gz FZOBJPZSSKPBGW-BBRMVZONSA-N 1 1 324.425 -1.134 20 0 DAADMO COCCOCN1CCC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069292 775978189 /nfs/dbraw/zinc/97/81/89/775978189.db2.gz HJSNNYRCBISUDB-ZDUSSCGKSA-N 1 1 313.398 -1.040 20 0 DAADMO COCCOCN1CCC12CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069292 775978192 /nfs/dbraw/zinc/97/81/92/775978192.db2.gz HJSNNYRCBISUDB-ZDUSSCGKSA-N 1 1 313.398 -1.040 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2cccnn21 ZINC001083840813 775978250 /nfs/dbraw/zinc/97/82/50/775978250.db2.gz VVIGHMRIDWYJJG-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3cccnn32)[C@@H](O)C1 ZINC001083841770 775979651 /nfs/dbraw/zinc/97/96/51/775979651.db2.gz KPNJAAFPGZVROL-FOGDFJRCSA-N 1 1 305.338 -1.115 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083844938 775980385 /nfs/dbraw/zinc/98/03/85/775980385.db2.gz AONGDRFNGWZEPV-AXFHLTTASA-N 1 1 312.374 -1.661 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC001090105858 775981584 /nfs/dbraw/zinc/98/15/84/775981584.db2.gz YGZUBHKHKZCOPO-CMPLNLGQSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC001090105858 775981588 /nfs/dbraw/zinc/98/15/88/775981588.db2.gz YGZUBHKHKZCOPO-CMPLNLGQSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC001090105861 775981644 /nfs/dbraw/zinc/98/16/44/775981644.db2.gz YGZUBHKHKZCOPO-ZYHUDNBSSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](O)C1)N1CCC1 ZINC001090105861 775981647 /nfs/dbraw/zinc/98/16/47/775981647.db2.gz YGZUBHKHKZCOPO-ZYHUDNBSSA-N 1 1 307.354 -1.193 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168739746 775981667 /nfs/dbraw/zinc/98/16/67/775981667.db2.gz UTIJICHMLIJZEL-JTQLQIEISA-N 1 1 301.347 -1.462 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168739746 775981669 /nfs/dbraw/zinc/98/16/69/775981669.db2.gz UTIJICHMLIJZEL-JTQLQIEISA-N 1 1 301.347 -1.462 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083746 775982998 /nfs/dbraw/zinc/98/29/98/775982998.db2.gz DIXCTNOSLGZRAB-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083746 775983000 /nfs/dbraw/zinc/98/30/00/775983000.db2.gz DIXCTNOSLGZRAB-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)ncc1=O ZINC001108085405 775983189 /nfs/dbraw/zinc/98/31/89/775983189.db2.gz YNWOZVTZEGXAGC-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)ncc1=O ZINC001108085405 775983192 /nfs/dbraw/zinc/98/31/92/775983192.db2.gz YNWOZVTZEGXAGC-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)ncc1=O ZINC001108083338 775983254 /nfs/dbraw/zinc/98/32/54/775983254.db2.gz BSRRMIRVEICXSB-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)ncc1=O ZINC001108083338 775983259 /nfs/dbraw/zinc/98/32/59/775983259.db2.gz BSRRMIRVEICXSB-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnns1 ZINC001090112580 775984162 /nfs/dbraw/zinc/98/41/62/775984162.db2.gz QTUGEGIOIZSWEH-NXEZZACHSA-N 1 1 323.382 -1.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccon1 ZINC001090112415 775984390 /nfs/dbraw/zinc/98/43/90/775984390.db2.gz PKNKESLZXRFLEE-ZYHUDNBSSA-N 1 1 323.353 -1.135 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC001090117467 775985609 /nfs/dbraw/zinc/98/56/09/775985609.db2.gz BVZIZBNGZHNABD-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC001090117467 775985613 /nfs/dbraw/zinc/98/56/13/775985613.db2.gz BVZIZBNGZHNABD-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099665527 775985917 /nfs/dbraw/zinc/98/59/17/775985917.db2.gz IUJXRGQSYKSJQP-BDAKNGLRSA-N 1 1 324.328 -1.512 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099665529 775985978 /nfs/dbraw/zinc/98/59/78/775985978.db2.gz IUJXRGQSYKSJQP-IUCAKERBSA-N 1 1 324.328 -1.512 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099665081 775986273 /nfs/dbraw/zinc/98/62/73/775986273.db2.gz ABLVNULVCZRHTD-VHSXEESVSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099665081 775986283 /nfs/dbraw/zinc/98/62/83/775986283.db2.gz ABLVNULVCZRHTD-VHSXEESVSA-N 1 1 313.358 -2.562 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108097301 775987418 /nfs/dbraw/zinc/98/74/18/775987418.db2.gz FSILVSLEMIKABS-NSHDSACASA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108097301 775987426 /nfs/dbraw/zinc/98/74/26/775987426.db2.gz FSILVSLEMIKABS-NSHDSACASA-N 1 1 324.403 -2.760 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666331 775988044 /nfs/dbraw/zinc/98/80/44/775988044.db2.gz UKXZBDZLKPHPKA-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666331 775988047 /nfs/dbraw/zinc/98/80/47/775988047.db2.gz UKXZBDZLKPHPKA-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666332 775988078 /nfs/dbraw/zinc/98/80/78/775988078.db2.gz UKXZBDZLKPHPKA-UWVGGRQHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666332 775988079 /nfs/dbraw/zinc/98/80/79/775988079.db2.gz UKXZBDZLKPHPKA-UWVGGRQHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001083851329 775988497 /nfs/dbraw/zinc/98/84/97/775988497.db2.gz ZPJKRLXIJMVEBI-MNOVXSKESA-N 1 1 310.358 -1.640 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090129038 775988994 /nfs/dbraw/zinc/98/89/94/775988994.db2.gz KFRNGVHVDCCYAG-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090129038 775989001 /nfs/dbraw/zinc/98/90/01/775989001.db2.gz KFRNGVHVDCCYAG-AAEUAGOBSA-N 1 1 321.381 -1.183 20 0 DAADMO CCC[N@H+]1CCO[C@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098662 775989320 /nfs/dbraw/zinc/98/93/20/775989320.db2.gz XNVNKPWMEIAYLZ-GFCCVEGCSA-N 1 1 322.431 -1.343 20 0 DAADMO CCC[N@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001108098663 775989471 /nfs/dbraw/zinc/98/94/71/775989471.db2.gz XNVNKPWMEIAYLZ-LBPRGKRZSA-N 1 1 322.431 -1.343 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129242 775989821 /nfs/dbraw/zinc/98/98/21/775989821.db2.gz LEZLZPHFPAPMGY-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@@H](O)C1 ZINC001090129242 775989826 /nfs/dbraw/zinc/98/98/26/775989826.db2.gz LEZLZPHFPAPMGY-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC001090131454 775990501 /nfs/dbraw/zinc/99/05/01/775990501.db2.gz ZVWNOGQLNOJAMT-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC001090131454 775990509 /nfs/dbraw/zinc/99/05/09/775990509.db2.gz ZVWNOGQLNOJAMT-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)S1(=O)=O ZINC001083853318 775991099 /nfs/dbraw/zinc/99/10/99/775991099.db2.gz NPNHECBQZHWEIP-UTLUCORTSA-N 1 1 307.372 -2.826 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)S1(=O)=O ZINC001083853318 775991107 /nfs/dbraw/zinc/99/11/07/775991107.db2.gz NPNHECBQZHWEIP-UTLUCORTSA-N 1 1 307.372 -2.826 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001128594693 775992212 /nfs/dbraw/zinc/99/22/12/775992212.db2.gz KKTRVFMDZYQNEH-UHFFFAOYSA-N 1 1 305.364 -2.645 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001128594284 775992920 /nfs/dbraw/zinc/99/29/20/775992920.db2.gz BCEPQTMABSEJCR-QMMMGPOBSA-N 1 1 319.391 -2.084 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601168 775993262 /nfs/dbraw/zinc/99/32/62/775993262.db2.gz NDDOBBRSONCADH-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnns1 ZINC001128601530 775993732 /nfs/dbraw/zinc/99/37/32/775993732.db2.gz XAGLAYWMKWBFEK-UHFFFAOYSA-N 1 1 307.401 -1.317 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1ccn(C)n1)S(C)(=O)=O ZINC001128603100 775995153 /nfs/dbraw/zinc/99/51/53/775995153.db2.gz ALRHDHWNSDSUPN-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601295 775995191 /nfs/dbraw/zinc/99/51/91/775995191.db2.gz PWKFRISHXJIXTP-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)nn1C ZINC001128603390 775997426 /nfs/dbraw/zinc/99/74/26/775997426.db2.gz HGUAXGBCVKAKQW-UHFFFAOYSA-N 1 1 317.415 -1.174 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090136980 775998922 /nfs/dbraw/zinc/99/89/22/775998922.db2.gz KCQDSFITRLMAHH-UWVGGRQHSA-N 1 1 322.369 -1.688 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2N)[C@@H](O)C1 ZINC001090136980 775998929 /nfs/dbraw/zinc/99/89/29/775998929.db2.gz KCQDSFITRLMAHH-UWVGGRQHSA-N 1 1 322.369 -1.688 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128613010 775999862 /nfs/dbraw/zinc/99/98/62/775999862.db2.gz YVYCIMGNTMNUTG-UTUOFQBUSA-N 1 1 313.358 -1.727 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1cnns1 ZINC001128619399 776001419 /nfs/dbraw/zinc/00/14/19/776001419.db2.gz XFFMAKAEVYOLIC-UHFFFAOYSA-N 1 1 301.372 -1.151 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128646625 776003474 /nfs/dbraw/zinc/00/34/74/776003474.db2.gz CSERYJJSGMLEOA-UHTWSYAYSA-N 1 1 324.385 -1.209 20 0 DAADMO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001128633132 776003632 /nfs/dbraw/zinc/00/36/32/776003632.db2.gz MMLVWQCYVGYUQH-ZJUUUORDSA-N 1 1 309.374 -1.422 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CC1=O ZINC001128665051 776004903 /nfs/dbraw/zinc/00/49/03/776004903.db2.gz HCXIFANQEQDRJF-SNVBAGLBSA-N 1 1 322.369 -1.508 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC1=O ZINC001128649094 776005043 /nfs/dbraw/zinc/00/50/43/776005043.db2.gz AAIOXBBFZBUOSD-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128647420 776005787 /nfs/dbraw/zinc/00/57/87/776005787.db2.gz RAGSCVUHKNSGCW-OLZOCXBDSA-N 1 1 324.385 -1.208 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)CC1=O ZINC001128651394 776005825 /nfs/dbraw/zinc/00/58/25/776005825.db2.gz VBERUVYNUHDNIS-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)CC1=O ZINC001128649425 776006021 /nfs/dbraw/zinc/00/60/21/776006021.db2.gz DEHVPBNBKWLLLB-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681507 776008435 /nfs/dbraw/zinc/00/84/35/776008435.db2.gz COTLEYMVNCUKHM-ZJUUUORDSA-N 1 1 311.346 -2.066 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681507 776008442 /nfs/dbraw/zinc/00/84/42/776008442.db2.gz COTLEYMVNCUKHM-ZJUUUORDSA-N 1 1 311.346 -2.066 20 0 DAADMO COCC(=O)NCCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001128691338 776008629 /nfs/dbraw/zinc/00/86/29/776008629.db2.gz HXRSQOMQUBYGTN-VIFPVBQESA-N 1 1 313.362 -1.870 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001128682089 776008975 /nfs/dbraw/zinc/00/89/75/776008975.db2.gz VARASCYXEYBOPA-ZJUUUORDSA-N 1 1 313.337 -1.353 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)N1C(=O)CCC1=O ZINC001128719540 776011225 /nfs/dbraw/zinc/01/12/25/776011225.db2.gz FFLSSKVDMNBHBI-VIFPVBQESA-N 1 1 308.342 -1.442 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCCNC(=O)C1CC1 ZINC001128696362 776011246 /nfs/dbraw/zinc/01/12/46/776011246.db2.gz IPSWRYGBQGYMBN-UHFFFAOYSA-N 1 1 309.374 -1.278 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)N1C(=O)CCC1=O ZINC001128720117 776012108 /nfs/dbraw/zinc/01/21/08/776012108.db2.gz JSDCTCIZXJSNNJ-VIFPVBQESA-N 1 1 308.342 -1.442 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1ncnn1C)N1C(=O)CCC1=O ZINC001128728159 776012782 /nfs/dbraw/zinc/01/27/82/776012782.db2.gz LYBURRPXXRSBED-VIFPVBQESA-N 1 1 308.342 -1.442 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1ncnn1C)N1C(=O)CCC1=O ZINC001128728158 776013548 /nfs/dbraw/zinc/01/35/48/776013548.db2.gz LYBURRPXXRSBED-SECBINFHSA-N 1 1 308.342 -1.442 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128715423 776013792 /nfs/dbraw/zinc/01/37/92/776013792.db2.gz CXESALVJXAMEDV-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128715423 776013799 /nfs/dbraw/zinc/01/37/99/776013799.db2.gz CXESALVJXAMEDV-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001083857201 776015216 /nfs/dbraw/zinc/01/52/16/776015216.db2.gz KZBCEIWAZFSLPN-MNOVXSKESA-N 1 1 321.337 -1.408 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)n1 ZINC001128763544 776016704 /nfs/dbraw/zinc/01/67/04/776016704.db2.gz BSOQIGRBRGNRQW-UHFFFAOYSA-N 1 1 320.353 -1.814 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCCN2C(=O)CCC2=O)nn1 ZINC001128758575 776017447 /nfs/dbraw/zinc/01/74/47/776017447.db2.gz OKHFKJGGJVICHW-UHFFFAOYSA-N 1 1 322.369 -1.050 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858831 776018740 /nfs/dbraw/zinc/01/87/40/776018740.db2.gz UVHACGHMFIEYRD-MXWKQRLJSA-N 1 1 315.345 -1.051 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858831 776018747 /nfs/dbraw/zinc/01/87/47/776018747.db2.gz UVHACGHMFIEYRD-MXWKQRLJSA-N 1 1 315.345 -1.051 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090153967 776019356 /nfs/dbraw/zinc/01/93/56/776019356.db2.gz CAVIALLNVMCVRJ-STQMWFEESA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090153967 776019360 /nfs/dbraw/zinc/01/93/60/776019360.db2.gz CAVIALLNVMCVRJ-STQMWFEESA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090148922 776020226 /nfs/dbraw/zinc/02/02/26/776020226.db2.gz KFXGFPWSKJJBPF-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090148922 776020239 /nfs/dbraw/zinc/02/02/39/776020239.db2.gz KFXGFPWSKJJBPF-PWSUYJOCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC001090159783 776021816 /nfs/dbraw/zinc/02/18/16/776021816.db2.gz WGHZRAWERYHESY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC001090159783 776021818 /nfs/dbraw/zinc/02/18/18/776021818.db2.gz WGHZRAWERYHESY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128833860 776026907 /nfs/dbraw/zinc/02/69/07/776026907.db2.gz FGFJTHRTSJGGBI-UTUOFQBUSA-N 1 1 324.385 -1.473 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001128834364 776027662 /nfs/dbraw/zinc/02/76/62/776027662.db2.gz KCMVXGGBGLSHMR-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001128834364 776027667 /nfs/dbraw/zinc/02/76/67/776027667.db2.gz KCMVXGGBGLSHMR-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC001090187853 776028317 /nfs/dbraw/zinc/02/83/17/776028317.db2.gz BMZBNXUSZIWKMU-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)c1 ZINC001090187853 776028321 /nfs/dbraw/zinc/02/83/21/776028321.db2.gz BMZBNXUSZIWKMU-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)NC1=O ZINC001108119160 776029048 /nfs/dbraw/zinc/02/90/48/776029048.db2.gz JKPSQFPGAIKHJY-MFKMUULPSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)NC1=O ZINC001108119160 776029056 /nfs/dbraw/zinc/02/90/56/776029056.db2.gz JKPSQFPGAIKHJY-MFKMUULPSA-N 1 1 300.359 -1.791 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001108119293 776029084 /nfs/dbraw/zinc/02/90/84/776029084.db2.gz KUEQPYKWHZPUAD-BXUZGUMPSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001108119293 776029093 /nfs/dbraw/zinc/02/90/93/776029093.db2.gz KUEQPYKWHZPUAD-BXUZGUMPSA-N 1 1 314.386 -1.137 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860791 776029209 /nfs/dbraw/zinc/02/92/09/776029209.db2.gz NWPLZNUPISQFER-AXFHLTTASA-N 1 1 310.358 -1.470 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128860437 776029456 /nfs/dbraw/zinc/02/94/56/776029456.db2.gz DJKCEEFYAIWYND-UTUOFQBUSA-N 1 1 322.369 -1.469 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128861401 776029504 /nfs/dbraw/zinc/02/95/04/776029504.db2.gz XBTWGURBOYVHIT-AXFHLTTASA-N 1 1 310.358 -1.470 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860550 776029716 /nfs/dbraw/zinc/02/97/16/776029716.db2.gz IAFPYALRMRFRDL-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)NC1=O ZINC001108119158 776030260 /nfs/dbraw/zinc/03/02/60/776030260.db2.gz JKPSQFPGAIKHJY-GWCFXTLKSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)NC1=O ZINC001108119158 776030270 /nfs/dbraw/zinc/03/02/70/776030270.db2.gz JKPSQFPGAIKHJY-GWCFXTLKSA-N 1 1 300.359 -1.791 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128861360 776030573 /nfs/dbraw/zinc/03/05/73/776030573.db2.gz WFEFXWGBLASSJL-NEPJUHHUSA-N 1 1 324.385 -1.080 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc2n[nH]nc2n1)c1nnnn1C ZINC001128879836 776031845 /nfs/dbraw/zinc/03/18/45/776031845.db2.gz MHLIUVTUSITCCS-SSDOTTSWSA-N 1 1 316.329 -1.043 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090197837 776031992 /nfs/dbraw/zinc/03/19/92/776031992.db2.gz QJTSKOVIBCMVEV-VHSXEESVSA-N 1 1 301.322 -1.105 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001128907830 776034511 /nfs/dbraw/zinc/03/45/11/776034511.db2.gz IJTIWRHKQKPFTF-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090204102 776034955 /nfs/dbraw/zinc/03/49/55/776034955.db2.gz MTNMWYMVZZNXDJ-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128929280 776036163 /nfs/dbraw/zinc/03/61/63/776036163.db2.gz FKUMRYNNMJMBNG-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128934924 776037359 /nfs/dbraw/zinc/03/73/59/776037359.db2.gz FAIWGJACNVCKIR-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128934924 776037365 /nfs/dbraw/zinc/03/73/65/776037365.db2.gz FAIWGJACNVCKIR-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001128962544 776038539 /nfs/dbraw/zinc/03/85/39/776038539.db2.gz UTFSACPTQXEGJB-MNOVXSKESA-N 1 1 309.374 -1.041 20 0 DAADMO CN(CC[NH2+]CCNC(=O)CCc1cnc[nH]1)S(C)(=O)=O ZINC001128967482 776038614 /nfs/dbraw/zinc/03/86/14/776038614.db2.gz SIAHBDUFHSKITA-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090227337 776040802 /nfs/dbraw/zinc/04/08/02/776040802.db2.gz LBOCXUPZXNGUIP-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090227336 776041697 /nfs/dbraw/zinc/04/16/97/776041697.db2.gz LBOCXUPZXNGUIP-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090229609 776041726 /nfs/dbraw/zinc/04/17/26/776041726.db2.gz CZRWXKMKTZMEIJ-STQMWFEESA-N 1 1 321.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090229609 776041732 /nfs/dbraw/zinc/04/17/32/776041732.db2.gz CZRWXKMKTZMEIJ-STQMWFEESA-N 1 1 321.381 -1.341 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cn2n1 ZINC001083861852 776041904 /nfs/dbraw/zinc/04/19/04/776041904.db2.gz FRGIVRWMTAUKDN-MNOVXSKESA-N 1 1 321.337 -1.902 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128986174 776043787 /nfs/dbraw/zinc/04/37/87/776043787.db2.gz KAGXTSIKDZBSJR-UHFFFAOYSA-N 1 1 309.370 -1.093 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090238297 776043808 /nfs/dbraw/zinc/04/38/08/776043808.db2.gz WNTCFOPUPNZUJN-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090238297 776043812 /nfs/dbraw/zinc/04/38/12/776043812.db2.gz WNTCFOPUPNZUJN-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ncc[nH]1 ZINC001090238172 776044007 /nfs/dbraw/zinc/04/40/07/776044007.db2.gz VFOJWUIJXGOTOA-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090241563 776045216 /nfs/dbraw/zinc/04/52/16/776045216.db2.gz SYZHLTGMMFXCMB-JQWIXIFHSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090241563 776045222 /nfs/dbraw/zinc/04/52/22/776045222.db2.gz SYZHLTGMMFXCMB-JQWIXIFHSA-N 1 1 322.369 -1.788 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090238300 776045694 /nfs/dbraw/zinc/04/56/94/776045694.db2.gz WNTCFOPUPNZUJN-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090238300 776045698 /nfs/dbraw/zinc/04/56/98/776045698.db2.gz WNTCFOPUPNZUJN-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090242654 776046768 /nfs/dbraw/zinc/04/67/68/776046768.db2.gz ZTBZTFHFCDZYDU-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090242654 776046770 /nfs/dbraw/zinc/04/67/70/776046770.db2.gz ZTBZTFHFCDZYDU-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090244811 776047470 /nfs/dbraw/zinc/04/74/70/776047470.db2.gz VKOXBFDZYFLBMI-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090244811 776047471 /nfs/dbraw/zinc/04/74/71/776047471.db2.gz VKOXBFDZYFLBMI-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCOCC1 ZINC001083864584 776048571 /nfs/dbraw/zinc/04/85/71/776048571.db2.gz WNXQYMCJKVIUKR-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)N1CCOCC1 ZINC001083864205 776049052 /nfs/dbraw/zinc/04/90/52/776049052.db2.gz CNIWSVGVPLOJJN-NEPJUHHUSA-N 1 1 301.387 -1.749 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCOCC1 ZINC001083864205 776049055 /nfs/dbraw/zinc/04/90/55/776049055.db2.gz CNIWSVGVPLOJJN-NEPJUHHUSA-N 1 1 301.387 -1.749 20 0 DAADMO Cn1cc(OCC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)cn1 ZINC001108162550 776050225 /nfs/dbraw/zinc/05/02/25/776050225.db2.gz WGROWHWQOAHKIP-AWEZNQCLSA-N 1 1 312.370 -1.002 20 0 DAADMO Cn1cc(OCC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)cn1 ZINC001108162550 776050229 /nfs/dbraw/zinc/05/02/29/776050229.db2.gz WGROWHWQOAHKIP-AWEZNQCLSA-N 1 1 312.370 -1.002 20 0 DAADMO O=C(COCC1CC1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099683614 776050593 /nfs/dbraw/zinc/05/05/93/776050593.db2.gz GBKHZENJDGMPCW-KBPBESRZSA-N 1 1 316.398 -1.027 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129031814 776050903 /nfs/dbraw/zinc/05/09/03/776050903.db2.gz HAPFWUFEXQWIRP-TUAOUCFPSA-N 1 1 324.385 -1.473 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129031814 776050910 /nfs/dbraw/zinc/05/09/10/776050910.db2.gz HAPFWUFEXQWIRP-TUAOUCFPSA-N 1 1 324.385 -1.473 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@@H]2O)n[nH]1 ZINC001090258798 776051845 /nfs/dbraw/zinc/05/18/45/776051845.db2.gz PRYQYRKUDNWCFE-MNOVXSKESA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090258798 776051848 /nfs/dbraw/zinc/05/18/48/776051848.db2.gz PRYQYRKUDNWCFE-MNOVXSKESA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)[nH]1 ZINC001090258798 776051853 /nfs/dbraw/zinc/05/18/53/776051853.db2.gz PRYQYRKUDNWCFE-MNOVXSKESA-N 1 1 324.385 -1.705 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129154152 776052819 /nfs/dbraw/zinc/05/28/19/776052819.db2.gz LXBVEXMNQOCOKF-UTUOFQBUSA-N 1 1 324.385 -1.487 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129153826 776052833 /nfs/dbraw/zinc/05/28/33/776052833.db2.gz HNUHIMILWRNPNU-MXWKQRLJSA-N 1 1 310.358 -1.877 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129153826 776052837 /nfs/dbraw/zinc/05/28/37/776052837.db2.gz HNUHIMILWRNPNU-MXWKQRLJSA-N 1 1 310.358 -1.877 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129153823 776052983 /nfs/dbraw/zinc/05/29/83/776052983.db2.gz HNUHIMILWRNPNU-AXFHLTTASA-N 1 1 310.358 -1.877 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129153823 776052985 /nfs/dbraw/zinc/05/29/85/776052985.db2.gz HNUHIMILWRNPNU-AXFHLTTASA-N 1 1 310.358 -1.877 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccnc2ccnn21 ZINC001129240418 776054387 /nfs/dbraw/zinc/05/43/87/776054387.db2.gz PSYZMECCODHAOO-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129243059 776054865 /nfs/dbraw/zinc/05/48/65/776054865.db2.gz GPBUPKLYPFCUIC-GRYCIOLGSA-N 1 1 313.358 -1.727 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129243059 776054870 /nfs/dbraw/zinc/05/48/70/776054870.db2.gz GPBUPKLYPFCUIC-GRYCIOLGSA-N 1 1 313.358 -1.727 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869236 776055932 /nfs/dbraw/zinc/05/59/32/776055932.db2.gz URJZZGMLAIROJR-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)NC1)c1nnnn1C ZINC001129254840 776056656 /nfs/dbraw/zinc/05/66/56/776056656.db2.gz BPLZPQVWJFLWPZ-ZJUUUORDSA-N 1 1 309.374 -1.107 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083869256 776056964 /nfs/dbraw/zinc/05/69/64/776056964.db2.gz VRJBTRBXPLUROT-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868949 776057203 /nfs/dbraw/zinc/05/72/03/776057203.db2.gz GJCQJUNPLQGLPV-HLTSFMKQSA-N 1 1 300.315 -2.920 20 0 DAADMO COCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108166872 776057766 /nfs/dbraw/zinc/05/77/66/776057766.db2.gz GEWNFYXGVWPJIP-SMDDNHRTSA-N 1 1 314.386 -1.089 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090260946 776058119 /nfs/dbraw/zinc/05/81/19/776058119.db2.gz LSZPRUPFBIEAIK-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090260946 776058126 /nfs/dbraw/zinc/05/81/26/776058126.db2.gz LSZPRUPFBIEAIK-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001090262817 776058244 /nfs/dbraw/zinc/05/82/44/776058244.db2.gz UIKFEMNYUCCFJU-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](O)C1 ZINC001090262817 776058252 /nfs/dbraw/zinc/05/82/52/776058252.db2.gz UIKFEMNYUCCFJU-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO COCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108166870 776058635 /nfs/dbraw/zinc/05/86/35/776058635.db2.gz GEWNFYXGVWPJIP-FZMZJTMJSA-N 1 1 314.386 -1.089 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165449 776058874 /nfs/dbraw/zinc/05/88/74/776058874.db2.gz GKTCEQLDGZVFIC-QMTHXVAHSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001108165449 776058877 /nfs/dbraw/zinc/05/88/77/776058877.db2.gz GKTCEQLDGZVFIC-QMTHXVAHSA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1nnc[nH]1 ZINC001083873557 776061005 /nfs/dbraw/zinc/06/10/05/776061005.db2.gz FVVNVZOZNQJAGM-MXWKQRLJSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873557 776061013 /nfs/dbraw/zinc/06/10/13/776061013.db2.gz FVVNVZOZNQJAGM-MXWKQRLJSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873557 776061019 /nfs/dbraw/zinc/06/10/19/776061019.db2.gz FVVNVZOZNQJAGM-MXWKQRLJSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873557 776061027 /nfs/dbraw/zinc/06/10/27/776061027.db2.gz FVVNVZOZNQJAGM-MXWKQRLJSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873557 776061034 /nfs/dbraw/zinc/06/10/34/776061034.db2.gz FVVNVZOZNQJAGM-MXWKQRLJSA-N 1 1 322.369 -1.504 20 0 DAADMO Cc1noc(CCCN2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)n1 ZINC001083873533 776061589 /nfs/dbraw/zinc/06/15/89/776061589.db2.gz DSKOGQRLKLSRNU-ZJUUUORDSA-N 1 1 321.341 -1.096 20 0 DAADMO Cc1noc(CCCN2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)n1 ZINC001083873533 776061593 /nfs/dbraw/zinc/06/15/93/776061593.db2.gz DSKOGQRLKLSRNU-ZJUUUORDSA-N 1 1 321.341 -1.096 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108169573 776061983 /nfs/dbraw/zinc/06/19/83/776061983.db2.gz RICAPZOMFWMSEL-FZMZJTMJSA-N 1 1 314.386 -1.089 20 0 DAADMO CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108169573 776061987 /nfs/dbraw/zinc/06/19/87/776061987.db2.gz RICAPZOMFWMSEL-FZMZJTMJSA-N 1 1 314.386 -1.089 20 0 DAADMO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)ccn1 ZINC001083875651 776062936 /nfs/dbraw/zinc/06/29/36/776062936.db2.gz ZTVNKUKGYPAHDC-NEPJUHHUSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ccn1 ZINC001083875651 776062944 /nfs/dbraw/zinc/06/29/44/776062944.db2.gz ZTVNKUKGYPAHDC-NEPJUHHUSA-N 1 1 308.338 -1.193 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)on1 ZINC001090267375 776063728 /nfs/dbraw/zinc/06/37/28/776063728.db2.gz BEZUBABTMFUYPZ-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@H](O)C2)on1 ZINC001090267375 776063730 /nfs/dbraw/zinc/06/37/30/776063730.db2.gz BEZUBABTMFUYPZ-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267632 776065087 /nfs/dbraw/zinc/06/50/87/776065087.db2.gz CFLFKHGURKOMPM-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267632 776065094 /nfs/dbraw/zinc/06/50/94/776065094.db2.gz CFLFKHGURKOMPM-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090267252 776065241 /nfs/dbraw/zinc/06/52/41/776065241.db2.gz AHVWDBWIFDKWRT-MNOVXSKESA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001090267707 776065298 /nfs/dbraw/zinc/06/52/98/776065298.db2.gz CJCZZSBQCIZWQS-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001090267707 776065302 /nfs/dbraw/zinc/06/53/02/776065302.db2.gz CJCZZSBQCIZWQS-OLZOCXBDSA-N 1 1 317.353 -1.180 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267529 776065418 /nfs/dbraw/zinc/06/54/18/776065418.db2.gz BUVJFZWVKGNYGW-ZJUUUORDSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267529 776065423 /nfs/dbraw/zinc/06/54/23/776065423.db2.gz BUVJFZWVKGNYGW-ZJUUUORDSA-N 1 1 311.346 -2.687 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 ZINC001083876615 776066146 /nfs/dbraw/zinc/06/61/46/776066146.db2.gz JSTYVTJDZZOLOE-NEPJUHHUSA-N 1 1 306.326 -1.179 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cn1 ZINC001083876615 776066155 /nfs/dbraw/zinc/06/61/55/776066155.db2.gz JSTYVTJDZZOLOE-NEPJUHHUSA-N 1 1 306.326 -1.179 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268504 776066311 /nfs/dbraw/zinc/06/63/11/776066311.db2.gz MIZVRRIKEXFRIK-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268504 776066318 /nfs/dbraw/zinc/06/63/18/776066318.db2.gz MIZVRRIKEXFRIK-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877127 776066774 /nfs/dbraw/zinc/06/67/74/776066774.db2.gz IKRITLUGFHJMOK-AXFHLTTASA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877127 776066780 /nfs/dbraw/zinc/06/67/80/776066780.db2.gz IKRITLUGFHJMOK-AXFHLTTASA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090268729 776066828 /nfs/dbraw/zinc/06/68/28/776066828.db2.gz OHZFKZVBUXFARQ-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090268729 776066836 /nfs/dbraw/zinc/06/68/36/776066836.db2.gz OHZFKZVBUXFARQ-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001090268740 776066963 /nfs/dbraw/zinc/06/69/63/776066963.db2.gz OIUDZTNHTYHJQO-STQMWFEESA-N 1 1 324.385 -1.349 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268501 776067011 /nfs/dbraw/zinc/06/70/11/776067011.db2.gz MIZVRRIKEXFRIK-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268501 776067020 /nfs/dbraw/zinc/06/70/20/776067020.db2.gz MIZVRRIKEXFRIK-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001090269532 776068801 /nfs/dbraw/zinc/06/88/01/776068801.db2.gz SJPHHTYGXCABNX-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001090269532 776068803 /nfs/dbraw/zinc/06/88/03/776068803.db2.gz SJPHHTYGXCABNX-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1nccc1CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108173105 776070015 /nfs/dbraw/zinc/07/00/15/776070015.db2.gz KWXOMNOWGXSERN-AWEZNQCLSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1nccc1CC[N@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108173105 776070022 /nfs/dbraw/zinc/07/00/22/776070022.db2.gz KWXOMNOWGXSERN-AWEZNQCLSA-N 1 1 309.370 -1.345 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 ZINC001083879036 776070486 /nfs/dbraw/zinc/07/04/86/776070486.db2.gz UKHMYFBJCXTZMU-JLLWLGSASA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](O)C1 ZINC001083879036 776070488 /nfs/dbraw/zinc/07/04/88/776070488.db2.gz UKHMYFBJCXTZMU-JLLWLGSASA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC001083881127 776073245 /nfs/dbraw/zinc/07/32/45/776073245.db2.gz PCDDWKFWEICQTP-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC001083881127 776073249 /nfs/dbraw/zinc/07/32/49/776073249.db2.gz PCDDWKFWEICQTP-NEPJUHHUSA-N 1 1 303.326 -1.457 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274537 776073668 /nfs/dbraw/zinc/07/36/68/776073668.db2.gz INUIDZYPVUPFCQ-NXEZZACHSA-N 1 1 310.358 -1.663 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CN1C(=O)CCC1=O ZINC001273169070 776073767 /nfs/dbraw/zinc/07/37/67/776073767.db2.gz XCKNZKLTIAPYQI-SECBINFHSA-N 1 1 323.357 -1.657 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cccnn1 ZINC001083881346 776074746 /nfs/dbraw/zinc/07/47/46/776074746.db2.gz ZIUPZVSDRLTNQP-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cccnn1 ZINC001083881346 776074753 /nfs/dbraw/zinc/07/47/53/776074753.db2.gz ZIUPZVSDRLTNQP-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099690426 776076081 /nfs/dbraw/zinc/07/60/81/776076081.db2.gz OPBCWHNCVPQGKJ-ZIAGYGMSSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067926 776077122 /nfs/dbraw/zinc/07/71/22/776077122.db2.gz WWQGNYGEBHAETF-VHSXEESVSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067926 776077128 /nfs/dbraw/zinc/07/71/28/776077128.db2.gz WWQGNYGEBHAETF-VHSXEESVSA-N 1 1 316.358 -2.872 20 0 DAADMO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)c1ncn[nH]1 ZINC001273173303 776077367 /nfs/dbraw/zinc/07/73/67/776077367.db2.gz KKBIBSVKMGTXIS-UHFFFAOYSA-N 1 1 321.341 -1.401 20 0 DAADMO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)c1nc[nH]n1 ZINC001273173303 776077376 /nfs/dbraw/zinc/07/73/76/776077376.db2.gz KKBIBSVKMGTXIS-UHFFFAOYSA-N 1 1 321.341 -1.401 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(=O)n1 ZINC001083894593 776082334 /nfs/dbraw/zinc/08/23/34/776082334.db2.gz NADWLXVAYYSGPB-XQQFMLRXSA-N 1 1 324.381 -1.598 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[NH2+]Cc1ncnn1CCF ZINC001129297518 776082514 /nfs/dbraw/zinc/08/25/14/776082514.db2.gz MMXGSSDHICRBSM-SNVBAGLBSA-N 1 1 312.349 -1.020 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001129296709 776082803 /nfs/dbraw/zinc/08/28/03/776082803.db2.gz DSKGIDYENBWSTR-VIFPVBQESA-N 1 1 307.358 -1.260 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCOC1 ZINC001083892887 776082823 /nfs/dbraw/zinc/08/28/23/776082823.db2.gz DIDGZMCUGXXIBF-DYEKYZERSA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCOC1 ZINC001083892887 776082829 /nfs/dbraw/zinc/08/28/29/776082829.db2.gz DIDGZMCUGXXIBF-DYEKYZERSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090289506 776084610 /nfs/dbraw/zinc/08/46/10/776084610.db2.gz AQFGOTVSBQTVCM-QWRGUYRKSA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090289506 776084618 /nfs/dbraw/zinc/08/46/18/776084618.db2.gz AQFGOTVSBQTVCM-QWRGUYRKSA-N 1 1 306.384 -2.035 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)c1 ZINC001083895419 776086282 /nfs/dbraw/zinc/08/62/82/776086282.db2.gz WIEUNKBRQOZGPU-BIMULSAOSA-N 1 1 322.365 -1.075 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083905051 776089091 /nfs/dbraw/zinc/08/90/91/776089091.db2.gz LNDSLBGKEYIBSG-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083905051 776089096 /nfs/dbraw/zinc/08/90/96/776089096.db2.gz LNDSLBGKEYIBSG-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccn2nnnc12 ZINC001090294764 776089226 /nfs/dbraw/zinc/08/92/26/776089226.db2.gz GTRZIYXZEGZYER-QWRGUYRKSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090293726 776090497 /nfs/dbraw/zinc/09/04/97/776090497.db2.gz VOEYYBQGCQPIQQ-QWRGUYRKSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090293726 776090500 /nfs/dbraw/zinc/09/05/00/776090500.db2.gz VOEYYBQGCQPIQQ-QWRGUYRKSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090293729 776090887 /nfs/dbraw/zinc/09/08/87/776090887.db2.gz VOEYYBQGCQPIQQ-WDEREUQCSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090293729 776090894 /nfs/dbraw/zinc/09/08/94/776090894.db2.gz VOEYYBQGCQPIQQ-WDEREUQCSA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090297430 776090909 /nfs/dbraw/zinc/09/09/09/776090909.db2.gz JCDAJOVWZDCMLM-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090297078 776091308 /nfs/dbraw/zinc/09/13/08/776091308.db2.gz GCEIWNQXJOSVMK-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)[C@H](O)C2)cn1 ZINC001090297078 776091316 /nfs/dbraw/zinc/09/13/16/776091316.db2.gz GCEIWNQXJOSVMK-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090298478 776092615 /nfs/dbraw/zinc/09/26/15/776092615.db2.gz PWHARMCZOYZGTO-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298530 776093066 /nfs/dbraw/zinc/09/30/66/776093066.db2.gz QGHVZVJMXOFPIZ-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298530 776093075 /nfs/dbraw/zinc/09/30/75/776093075.db2.gz QGHVZVJMXOFPIZ-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298952 776093758 /nfs/dbraw/zinc/09/37/58/776093758.db2.gz UJMRGARQNCYVEH-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298952 776093766 /nfs/dbraw/zinc/09/37/66/776093766.db2.gz UJMRGARQNCYVEH-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090311420 776094346 /nfs/dbraw/zinc/09/43/46/776094346.db2.gz SRMUUADLFARRKV-WDEREUQCSA-N 1 1 310.354 -1.882 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC001090312794 776095570 /nfs/dbraw/zinc/09/55/70/776095570.db2.gz LPAYVWGVYAPTDM-CABZTGNLSA-N 1 1 320.353 -1.100 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090310899 776095706 /nfs/dbraw/zinc/09/57/06/776095706.db2.gz OCGMGHQJDZOHCJ-NWDGAFQWSA-N 1 1 324.381 -1.493 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090310953 776095806 /nfs/dbraw/zinc/09/58/06/776095806.db2.gz OPQLIQDWYOCRNS-VXGBXAGGSA-N 1 1 310.354 -1.049 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090327256 776097348 /nfs/dbraw/zinc/09/73/48/776097348.db2.gz PUFPFFUMFVZQBR-RYUDHWBXSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090319767 776097484 /nfs/dbraw/zinc/09/74/84/776097484.db2.gz SHEICSMABDAJRN-DGCLKSJQSA-N 1 1 309.370 -1.301 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090325306 776097868 /nfs/dbraw/zinc/09/78/68/776097868.db2.gz AIDQTCSQUXZOPI-MNOVXSKESA-N 1 1 301.343 -2.611 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327533 776098970 /nfs/dbraw/zinc/09/89/70/776098970.db2.gz SCORIYXREKJKSR-ZYHUDNBSSA-N 1 1 320.353 -1.100 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090326500 776098984 /nfs/dbraw/zinc/09/89/84/776098984.db2.gz ISIZXNJOLWADHD-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327532 776099470 /nfs/dbraw/zinc/09/94/70/776099470.db2.gz SCORIYXREKJKSR-PWSUYJOCSA-N 1 1 320.353 -1.100 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnns1 ZINC001099696262 776100105 /nfs/dbraw/zinc/10/01/05/776100105.db2.gz WFJDTPZTLFVNQX-UWVGGRQHSA-N 1 1 316.383 -1.288 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090327890 776100141 /nfs/dbraw/zinc/10/01/41/776100141.db2.gz VQZJZZJFUDSQFJ-CHWSQXEVSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC001090325993 776100372 /nfs/dbraw/zinc/10/03/72/776100372.db2.gz GKYOJAMLSNHHNP-CMPLNLGQSA-N 1 1 310.354 -1.177 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090326498 776100604 /nfs/dbraw/zinc/10/06/04/776100604.db2.gz ISIZXNJOLWADHD-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090326501 776100627 /nfs/dbraw/zinc/10/06/27/776100627.db2.gz ISIZXNJOLWADHD-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC001090337262 776101284 /nfs/dbraw/zinc/10/12/84/776101284.db2.gz PMHNSZDINWMMBV-WCQYABFASA-N 1 1 324.381 -1.039 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090338582 776101634 /nfs/dbraw/zinc/10/16/34/776101634.db2.gz JRIBRJJZRGQBKA-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090338582 776101644 /nfs/dbraw/zinc/10/16/44/776101644.db2.gz JRIBRJJZRGQBKA-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)cn1C ZINC001090343216 776101797 /nfs/dbraw/zinc/10/17/97/776101797.db2.gz YASMBZQKLJGZSX-TZMCWYRMSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1C ZINC001090343216 776101801 /nfs/dbraw/zinc/10/18/01/776101801.db2.gz YASMBZQKLJGZSX-TZMCWYRMSA-N 1 1 309.366 -1.149 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083924397 776102745 /nfs/dbraw/zinc/10/27/45/776102745.db2.gz PAASHKWWHOZBDN-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083929172 776104240 /nfs/dbraw/zinc/10/42/40/776104240.db2.gz RIEBIJRBSCPOMI-IPYPFGDCSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090348642 776104599 /nfs/dbraw/zinc/10/45/99/776104599.db2.gz FFXNCBIDXXKFKV-MNOVXSKESA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001090348642 776104600 /nfs/dbraw/zinc/10/46/00/776104600.db2.gz FFXNCBIDXXKFKV-MNOVXSKESA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cn([C@@H]2CCOC2)nn1 ZINC001083929964 776106108 /nfs/dbraw/zinc/10/61/08/776106108.db2.gz RRAJHJRBEUZUSY-FOGDFJRCSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn([C@@H]2CCOC2)nn1 ZINC001083929964 776106116 /nfs/dbraw/zinc/10/61/16/776106116.db2.gz RRAJHJRBEUZUSY-FOGDFJRCSA-N 1 1 311.342 -1.993 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001090362000 776106516 /nfs/dbraw/zinc/10/65/16/776106516.db2.gz SEHCTKJBCLUMPT-ZYHUDNBSSA-N 1 1 310.354 -1.429 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090360122 776106562 /nfs/dbraw/zinc/10/65/62/776106562.db2.gz JFUYMGYLEVVUBR-WCQYABFASA-N 1 1 322.365 -1.733 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083930039 776107116 /nfs/dbraw/zinc/10/71/16/776107116.db2.gz UVOZHPFXZUAOIW-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083930039 776107122 /nfs/dbraw/zinc/10/71/22/776107122.db2.gz UVOZHPFXZUAOIW-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118340028 776108457 /nfs/dbraw/zinc/10/84/57/776108457.db2.gz DEFQIZGRNXRECT-WIFINTHYSA-N 1 1 317.411 -1.851 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118340028 776108469 /nfs/dbraw/zinc/10/84/69/776108469.db2.gz DEFQIZGRNXRECT-WIFINTHYSA-N 1 1 317.411 -1.851 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090365161 776109123 /nfs/dbraw/zinc/10/91/23/776109123.db2.gz NTZIJHGARRKAHV-OLZOCXBDSA-N 1 1 307.350 -1.057 20 0 DAADMO COCCC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099710190 776110169 /nfs/dbraw/zinc/11/01/69/776110169.db2.gz UBKPNXLULZQUGG-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099710190 776110174 /nfs/dbraw/zinc/11/01/74/776110174.db2.gz UBKPNXLULZQUGG-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO COCCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099710191 776110344 /nfs/dbraw/zinc/11/03/44/776110344.db2.gz UBKPNXLULZQUGG-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099710191 776110349 /nfs/dbraw/zinc/11/03/49/776110349.db2.gz UBKPNXLULZQUGG-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO COCCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099706488 776111156 /nfs/dbraw/zinc/11/11/56/776111156.db2.gz CUCSPPRHASPQBY-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099706489 776111305 /nfs/dbraw/zinc/11/13/05/776111305.db2.gz CUCSPPRHASPQBY-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)CC1=O ZINC001090368427 776112484 /nfs/dbraw/zinc/11/24/84/776112484.db2.gz RFTNGRCACKQYQG-NWDGAFQWSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)CC1=O ZINC001090368427 776112491 /nfs/dbraw/zinc/11/24/91/776112491.db2.gz RFTNGRCACKQYQG-NWDGAFQWSA-N 1 1 316.377 -1.719 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090368950 776114486 /nfs/dbraw/zinc/11/44/86/776114486.db2.gz UDCITULCMMQOAH-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090368949 776115007 /nfs/dbraw/zinc/11/50/07/776115007.db2.gz UDCITULCMMQOAH-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001090369331 776115232 /nfs/dbraw/zinc/11/52/32/776115232.db2.gz WTXRJLGVPHBCTP-VXGBXAGGSA-N 1 1 314.386 -2.696 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC001081731124 776116394 /nfs/dbraw/zinc/11/63/94/776116394.db2.gz YCWRXTYAEDLORQ-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001081731126 776116534 /nfs/dbraw/zinc/11/65/34/776116534.db2.gz YCWRXTYAEDLORQ-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001099744856 776121733 /nfs/dbraw/zinc/12/17/33/776121733.db2.gz XSPUHKPNWYNBNF-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001099744856 776121736 /nfs/dbraw/zinc/12/17/36/776121736.db2.gz XSPUHKPNWYNBNF-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373191 776121756 /nfs/dbraw/zinc/12/17/56/776121756.db2.gz GJZSXLXPQKPKFZ-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001099744866 776122385 /nfs/dbraw/zinc/12/23/85/776122385.db2.gz XSPUHKPNWYNBNF-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001099744866 776122392 /nfs/dbraw/zinc/12/23/92/776122392.db2.gz XSPUHKPNWYNBNF-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935846 776124812 /nfs/dbraw/zinc/12/48/12/776124812.db2.gz PTNXNXWYHCWXOP-NEPJUHHUSA-N 1 1 319.369 -1.515 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757354 776125745 /nfs/dbraw/zinc/12/57/45/776125745.db2.gz DCCOBEOBOPQXGJ-VXGBXAGGSA-N 1 1 309.370 -1.611 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCCF)C[C@H]2O)c1=O ZINC001090376386 776127001 /nfs/dbraw/zinc/12/70/01/776127001.db2.gz WOINQMAFZBZIAK-GHMZBOCLSA-N 1 1 315.349 -1.507 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]n1 ZINC001090380884 776127945 /nfs/dbraw/zinc/12/79/45/776127945.db2.gz HFKDPOVKGVCPJC-JQWIXIFHSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001090380884 776127952 /nfs/dbraw/zinc/12/79/52/776127952.db2.gz HFKDPOVKGVCPJC-JQWIXIFHSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC001090380884 776127964 /nfs/dbraw/zinc/12/79/64/776127964.db2.gz HFKDPOVKGVCPJC-JQWIXIFHSA-N 1 1 305.342 -1.134 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758228 776128458 /nfs/dbraw/zinc/12/84/58/776128458.db2.gz POEVFTMZSQELHN-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758228 776128461 /nfs/dbraw/zinc/12/84/61/776128461.db2.gz POEVFTMZSQELHN-QWRGUYRKSA-N 1 1 314.386 -1.718 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001099760311 776128523 /nfs/dbraw/zinc/12/85/23/776128523.db2.gz GXZWZMNWBNQEGR-QWRGUYRKSA-N 1 1 312.370 -2.061 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001099760311 776128526 /nfs/dbraw/zinc/12/85/26/776128526.db2.gz GXZWZMNWBNQEGR-QWRGUYRKSA-N 1 1 312.370 -2.061 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090385249 776130183 /nfs/dbraw/zinc/13/01/83/776130183.db2.gz PTFGGCRWTSJAKD-STQMWFEESA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC001090385023 776130512 /nfs/dbraw/zinc/13/05/12/776130512.db2.gz CIRNMEMVKLBHSZ-KOLCDFICSA-N 1 1 323.357 -2.005 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090385240 776130704 /nfs/dbraw/zinc/13/07/04/776130704.db2.gz PTFGGCRWTSJAKD-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090392931 776135164 /nfs/dbraw/zinc/13/51/64/776135164.db2.gz XUIWPPKYMQRRQT-MNOVXSKESA-N 1 1 300.359 -2.055 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC001090391091 776135371 /nfs/dbraw/zinc/13/53/71/776135371.db2.gz AQVZNZYRPZQJIU-RYUDHWBXSA-N 1 1 320.349 -1.267 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090390659 776135724 /nfs/dbraw/zinc/13/57/24/776135724.db2.gz JAHRQOXSMOQHPF-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001099785536 776136098 /nfs/dbraw/zinc/13/60/98/776136098.db2.gz HDPIQTMTPHLNPR-OLZOCXBDSA-N 1 1 310.354 -1.350 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001099782916 776136180 /nfs/dbraw/zinc/13/61/80/776136180.db2.gz IHHYGBAAGDQWDV-QWRGUYRKSA-N 1 1 313.358 -1.428 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090392893 776136233 /nfs/dbraw/zinc/13/62/33/776136233.db2.gz XHHBHJFUMMDVQX-STQMWFEESA-N 1 1 309.366 -1.067 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099792171 776137167 /nfs/dbraw/zinc/13/71/67/776137167.db2.gz PYSXWGUHOCJVON-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)Cn2cnnn2)[N@H+](CC(N)=O)C1 ZINC001098898987 776138215 /nfs/dbraw/zinc/13/82/15/776138215.db2.gz AUVLLIRZBOKYTK-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)Cn2cnnn2)[N@@H+](CC(N)=O)C1 ZINC001098898987 776138219 /nfs/dbraw/zinc/13/82/19/776138219.db2.gz AUVLLIRZBOKYTK-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083939549 776138859 /nfs/dbraw/zinc/13/88/59/776138859.db2.gz KRMQALWSSAUREX-VWYCJHECSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083939549 776138867 /nfs/dbraw/zinc/13/88/67/776138867.db2.gz KRMQALWSSAUREX-VWYCJHECSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083939738 776139500 /nfs/dbraw/zinc/13/95/00/776139500.db2.gz TVGWPMLZWYLDPG-WOPDTQHZSA-N 1 1 314.386 -1.537 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083951257 776140645 /nfs/dbraw/zinc/14/06/45/776140645.db2.gz PCIPZZKVGVTWQU-MNOVXSKESA-N 1 1 320.353 -1.152 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001083948028 776141578 /nfs/dbraw/zinc/14/15/78/776141578.db2.gz KZZKZHZLMZGLTC-ZJUUUORDSA-N 1 1 307.310 -1.798 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953096 776141615 /nfs/dbraw/zinc/14/16/15/776141615.db2.gz HASDXHPDGLXOOH-UPJWGTAASA-N 1 1 322.413 -1.182 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083950224 776141944 /nfs/dbraw/zinc/14/19/44/776141944.db2.gz ARYHCUYXPZGVGC-MNOVXSKESA-N 1 1 320.353 -1.007 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001083948027 776142267 /nfs/dbraw/zinc/14/22/67/776142267.db2.gz KZTXZBVODCYNBG-BDAKNGLRSA-N 1 1 300.315 -2.966 20 0 DAADMO CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083980680 776144451 /nfs/dbraw/zinc/14/44/51/776144451.db2.gz YYPWXQQCGITJIZ-ZJUUUORDSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083980680 776144457 /nfs/dbraw/zinc/14/44/57/776144457.db2.gz YYPWXQQCGITJIZ-ZJUUUORDSA-N 1 1 312.370 -1.254 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083959565 776145857 /nfs/dbraw/zinc/14/58/57/776145857.db2.gz YUCAVMKKUZPWDK-ZJUUUORDSA-N 1 1 311.338 -1.047 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)cn1 ZINC001083964037 776146205 /nfs/dbraw/zinc/14/62/05/776146205.db2.gz UUVRUNOIXHGTGB-OLZOCXBDSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)cn1 ZINC001083964037 776146212 /nfs/dbraw/zinc/14/62/12/776146212.db2.gz UUVRUNOIXHGTGB-OLZOCXBDSA-N 1 1 322.365 -1.138 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083959383 776146249 /nfs/dbraw/zinc/14/62/49/776146249.db2.gz UBGQHSRCRFKAQX-AEJSXWLSSA-N 1 1 311.338 -1.049 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 ZINC001083962522 776146912 /nfs/dbraw/zinc/14/69/12/776146912.db2.gz HQPHAZSAIIEFEQ-JLLWLGSASA-N 1 1 309.370 -1.302 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)ccc1=O ZINC001084030332 776150321 /nfs/dbraw/zinc/15/03/21/776150321.db2.gz MIPCXWCDZUVLMD-RTXFEEFZSA-N 1 1 322.365 -1.408 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001084033116 776151403 /nfs/dbraw/zinc/15/14/03/776151403.db2.gz HCVNYUGLTQTCDY-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035783 776151717 /nfs/dbraw/zinc/15/17/17/776151717.db2.gz BVPSSFKCOPGPOR-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001084033940 776151883 /nfs/dbraw/zinc/15/18/83/776151883.db2.gz NDYHUJWPIRBUOM-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035168 776152097 /nfs/dbraw/zinc/15/20/97/776152097.db2.gz FIWIGUZHEDFGCZ-AXFHLTTASA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001084041090 776152554 /nfs/dbraw/zinc/15/25/54/776152554.db2.gz MGYNGAZVFJHTBZ-WCQGTBRESA-N 1 1 314.386 -1.681 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084036186 776153257 /nfs/dbraw/zinc/15/32/57/776153257.db2.gz WCJAEBHJCJMXPB-ZJUUUORDSA-N 1 1 314.342 -2.312 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039068 776153342 /nfs/dbraw/zinc/15/33/42/776153342.db2.gz IPZDNSVUYGVTQJ-AEJSXWLSSA-N 1 1 323.353 -1.615 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084039068 776153344 /nfs/dbraw/zinc/15/33/44/776153344.db2.gz IPZDNSVUYGVTQJ-AEJSXWLSSA-N 1 1 323.353 -1.615 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)c(=O)n1C ZINC001084012255 776154786 /nfs/dbraw/zinc/15/47/86/776154786.db2.gz KMEDGYWVJPECCP-OLZOCXBDSA-N 1 1 323.397 -1.148 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001084008773 776154792 /nfs/dbraw/zinc/15/47/92/776154792.db2.gz WMBFYDCNIFEHBS-BIMULSAOSA-N 1 1 322.365 -1.403 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084012634 776155331 /nfs/dbraw/zinc/15/53/31/776155331.db2.gz YAKRHQSPNQELOJ-HZSPNIEDSA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)n1 ZINC001084008690 776155357 /nfs/dbraw/zinc/15/53/57/776155357.db2.gz RNPQREGTKXZNOI-OLZOCXBDSA-N 1 1 322.365 -1.138 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)n1 ZINC001084008690 776155364 /nfs/dbraw/zinc/15/53/64/776155364.db2.gz RNPQREGTKXZNOI-OLZOCXBDSA-N 1 1 322.365 -1.138 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084012923 776155542 /nfs/dbraw/zinc/15/55/42/776155542.db2.gz DDPPZCFDHLEIEB-NEPJUHHUSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c(=O)n1C ZINC001084013285 776155889 /nfs/dbraw/zinc/15/58/89/776155889.db2.gz YTTRZTGZAOVSMK-MNOVXSKESA-N 1 1 313.358 -2.566 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 ZINC001084077199 776157039 /nfs/dbraw/zinc/15/70/39/776157039.db2.gz JRVOPHORSMUWAU-WCQGTBRESA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nc(C3CC3)nn2C)[C@@H](O)C1 ZINC001084077198 776157067 /nfs/dbraw/zinc/15/70/67/776157067.db2.gz JRVOPHORSMUWAU-JLLWLGSASA-N 1 1 323.397 -1.223 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H](C1CC1)N1CCOCC1 ZINC001084079452 776157645 /nfs/dbraw/zinc/15/76/45/776157645.db2.gz CXYULTSREGWCHR-RDBSUJKOSA-N 1 1 313.398 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H](C1CC1)N1CCOCC1 ZINC001084079452 776157648 /nfs/dbraw/zinc/15/76/48/776157648.db2.gz CXYULTSREGWCHR-RDBSUJKOSA-N 1 1 313.398 -1.749 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 ZINC001084077330 776157723 /nfs/dbraw/zinc/15/77/23/776157723.db2.gz PAUMVPWDNWBSLL-IEBDPFPHSA-N 1 1 311.338 -1.097 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](O)C1 ZINC001084077330 776157725 /nfs/dbraw/zinc/15/77/25/776157725.db2.gz PAUMVPWDNWBSLL-IEBDPFPHSA-N 1 1 311.338 -1.097 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)ccc1=O ZINC001084047664 776159486 /nfs/dbraw/zinc/15/94/86/776159486.db2.gz PORSYPWYSDXZPR-UHTWSYAYSA-N 1 1 324.381 -1.191 20 0 DAADMO Cc1nonc1CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053248 776160176 /nfs/dbraw/zinc/16/01/76/776160176.db2.gz XBHZNBCTABHNBI-UHTWSYAYSA-N 1 1 309.370 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@@H]2O)C1 ZINC001084053913 776160618 /nfs/dbraw/zinc/16/06/18/776160618.db2.gz PEEZOAIMHXSWGO-MJBXVCDLSA-N 1 1 307.398 -1.004 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001084054339 776161650 /nfs/dbraw/zinc/16/16/50/776161650.db2.gz ANOOYUJBYRSOBV-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001084054339 776161653 /nfs/dbraw/zinc/16/16/53/776161653.db2.gz ANOOYUJBYRSOBV-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001084067867 776162565 /nfs/dbraw/zinc/16/25/65/776162565.db2.gz CMASFLFRCAAFMG-AEJSXWLSSA-N 1 1 307.372 -2.778 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001084059611 776162751 /nfs/dbraw/zinc/16/27/51/776162751.db2.gz PRVBRNJBOXTGSC-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059298 776162807 /nfs/dbraw/zinc/16/28/07/776162807.db2.gz BISMWQCBIFISIY-WCQGTBRESA-N 1 1 309.370 -1.513 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001084058819 776162878 /nfs/dbraw/zinc/16/28/78/776162878.db2.gz KRYAPJCZWWOUGK-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067200 776163175 /nfs/dbraw/zinc/16/31/75/776163175.db2.gz FOJACCDLBOLMGW-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067200 776163181 /nfs/dbraw/zinc/16/31/81/776163181.db2.gz FOJACCDLBOLMGW-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001084067992 776163620 /nfs/dbraw/zinc/16/36/20/776163620.db2.gz IEODRQISNWACDW-UTUOFQBUSA-N 1 1 317.411 -1.361 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084059495 776163698 /nfs/dbraw/zinc/16/36/98/776163698.db2.gz LHVJSGSQRYURPW-UPJWGTAASA-N 1 1 321.381 -1.369 20 0 DAADMO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084068973 776164344 /nfs/dbraw/zinc/16/43/44/776164344.db2.gz PLWGDNWXLPEJLH-UPJWGTAASA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084068973 776164348 /nfs/dbraw/zinc/16/43/48/776164348.db2.gz PLWGDNWXLPEJLH-UPJWGTAASA-N 1 1 313.398 -1.213 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084068343 776165404 /nfs/dbraw/zinc/16/54/04/776165404.db2.gz WFARWWYLQXUENC-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084073455 776165586 /nfs/dbraw/zinc/16/55/86/776165586.db2.gz VKPHNAJZOQKURZ-UPJWGTAASA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116463 776166240 /nfs/dbraw/zinc/16/62/40/776166240.db2.gz SATUHWMRVXNVTH-AXTRIDKLSA-N 1 1 308.338 -1.664 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116476 776166619 /nfs/dbraw/zinc/16/66/19/776166619.db2.gz SPFBZQVQFULIHE-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084114831 776166811 /nfs/dbraw/zinc/16/68/11/776166811.db2.gz JEKKTBHFNAMUMP-NEPJUHHUSA-N 1 1 322.369 -1.930 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084114831 776166816 /nfs/dbraw/zinc/16/68/16/776166816.db2.gz JEKKTBHFNAMUMP-NEPJUHHUSA-N 1 1 322.369 -1.930 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCCC1=O ZINC001084085501 776167836 /nfs/dbraw/zinc/16/78/36/776167836.db2.gz YKSKNKRSCVZEMA-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090033 776167944 /nfs/dbraw/zinc/16/79/44/776167944.db2.gz HEWTWZSOWBGKNA-UMNHJUIQSA-N 1 1 324.385 -1.416 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001084090871 776169212 /nfs/dbraw/zinc/16/92/12/776169212.db2.gz MQCXMGNTVXVPAU-KOLCDFICSA-N 1 1 310.358 -1.839 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 ZINC001084106464 776169768 /nfs/dbraw/zinc/16/97/68/776169768.db2.gz YHBNCEXFBLIDLY-GDLCADMTSA-N 1 1 321.377 -1.130 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084103005 776170255 /nfs/dbraw/zinc/17/02/55/776170255.db2.gz YIPWFKOMKOLCHH-FXAINCCUSA-N 1 1 308.338 -1.664 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001084192406 776170965 /nfs/dbraw/zinc/17/09/65/776170965.db2.gz ZJNVNZFJRZXWOC-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)[C@@H]2C1 ZINC001084192406 776170974 /nfs/dbraw/zinc/17/09/74/776170974.db2.gz ZJNVNZFJRZXWOC-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132112 776171097 /nfs/dbraw/zinc/17/10/97/776171097.db2.gz IHBJBUMTRFTGQF-AXTRIDKLSA-N 1 1 308.338 -1.664 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176753 776171318 /nfs/dbraw/zinc/17/13/18/776171318.db2.gz FNPTVFHXZOVBNC-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176753 776171322 /nfs/dbraw/zinc/17/13/22/776171322.db2.gz FNPTVFHXZOVBNC-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132170 776171328 /nfs/dbraw/zinc/17/13/28/776171328.db2.gz KVDKIACTJVFZKH-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001084243053 776171349 /nfs/dbraw/zinc/17/13/49/776171349.db2.gz VQMALXRLXJBUHV-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCOCC1 ZINC001084127575 776171442 /nfs/dbraw/zinc/17/14/42/776171442.db2.gz NKNPXCXLBTVNII-XQQFMLRXSA-N 1 1 301.387 -1.749 20 0 DAADMO Cn1nnc2cccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC001084131098 776171597 /nfs/dbraw/zinc/17/15/97/776171597.db2.gz XUOJWUOATJYVHO-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084128998 776171667 /nfs/dbraw/zinc/17/16/67/776171667.db2.gz CKAUYNHFKFZARK-BBBLOLIVSA-N 1 1 301.318 -1.440 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099796615 776172140 /nfs/dbraw/zinc/17/21/40/776172140.db2.gz GUCNPLCIARJYLI-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001084292856 776172810 /nfs/dbraw/zinc/17/28/10/776172810.db2.gz QWIGUFPQTDBLRA-MGPQQGTHSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001084292856 776172813 /nfs/dbraw/zinc/17/28/13/776172813.db2.gz QWIGUFPQTDBLRA-MGPQQGTHSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084288046 776172839 /nfs/dbraw/zinc/17/28/39/776172839.db2.gz GEWHDOGCPRGFDL-HZSPNIEDSA-N 1 1 322.409 -1.260 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084288046 776172842 /nfs/dbraw/zinc/17/28/42/776172842.db2.gz GEWHDOGCPRGFDL-HZSPNIEDSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290733 776172885 /nfs/dbraw/zinc/17/28/85/776172885.db2.gz DSRBVLCXTCATHZ-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290733 776172887 /nfs/dbraw/zinc/17/28/87/776172887.db2.gz DSRBVLCXTCATHZ-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084291622 776173440 /nfs/dbraw/zinc/17/34/40/776173440.db2.gz CWTFNNCEVSLLTA-OUAUKWLOSA-N 1 1 320.353 -1.595 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084291622 776173448 /nfs/dbraw/zinc/17/34/48/776173448.db2.gz CWTFNNCEVSLLTA-OUAUKWLOSA-N 1 1 320.353 -1.595 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084369870 776174796 /nfs/dbraw/zinc/17/47/96/776174796.db2.gz BSKSHRYHLWVGBG-ZYHUDNBSSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084369870 776174798 /nfs/dbraw/zinc/17/47/98/776174798.db2.gz BSKSHRYHLWVGBG-ZYHUDNBSSA-N 1 1 302.396 -1.054 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084370266 776174843 /nfs/dbraw/zinc/17/48/43/776174843.db2.gz QXMWQPQGJBKUEC-HOSYDEDBSA-N 1 1 302.396 -1.056 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001084370266 776174847 /nfs/dbraw/zinc/17/48/47/776174847.db2.gz QXMWQPQGJBKUEC-HOSYDEDBSA-N 1 1 302.396 -1.056 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084426164 776174943 /nfs/dbraw/zinc/17/49/43/776174943.db2.gz QYFDKFHSIDIKTH-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084426164 776174946 /nfs/dbraw/zinc/17/49/46/776174946.db2.gz QYFDKFHSIDIKTH-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001084356546 776175323 /nfs/dbraw/zinc/17/53/23/776175323.db2.gz ONPYUGJSKYYMBD-GMTAPVOTSA-N 1 1 322.369 -1.710 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001084347703 776175857 /nfs/dbraw/zinc/17/58/57/776175857.db2.gz CLRLMFBAWRATAN-IJLUTSLNSA-N 1 1 319.369 -1.564 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001084347703 776175867 /nfs/dbraw/zinc/17/58/67/776175867.db2.gz CLRLMFBAWRATAN-IJLUTSLNSA-N 1 1 319.369 -1.564 20 0 DAADMO CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446842 776176591 /nfs/dbraw/zinc/17/65/91/776176591.db2.gz RYKUZDOYBLCKBP-AAVRWANBSA-N 1 1 324.425 -1.016 20 0 DAADMO CNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446842 776176596 /nfs/dbraw/zinc/17/65/96/776176596.db2.gz RYKUZDOYBLCKBP-AAVRWANBSA-N 1 1 324.425 -1.016 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090398755 776179289 /nfs/dbraw/zinc/17/92/89/776179289.db2.gz IFSPSOHJCSUXIL-ZYHUDNBSSA-N 1 1 310.354 -1.719 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001084577703 776179426 /nfs/dbraw/zinc/17/94/26/776179426.db2.gz UNSNPWFJWJNNGF-GRYCIOLGSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001084577703 776179431 /nfs/dbraw/zinc/17/94/31/776179431.db2.gz UNSNPWFJWJNNGF-GRYCIOLGSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001084577704 776179555 /nfs/dbraw/zinc/17/95/55/776179555.db2.gz UNSNPWFJWJNNGF-IJLUTSLNSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001084577704 776179560 /nfs/dbraw/zinc/17/95/60/776179560.db2.gz UNSNPWFJWJNNGF-IJLUTSLNSA-N 1 1 323.397 -1.369 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001084575601 776180434 /nfs/dbraw/zinc/18/04/34/776180434.db2.gz LBNZCJLQSHRSKG-KGYLQXTDSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC001084575601 776180441 /nfs/dbraw/zinc/18/04/41/776180441.db2.gz LBNZCJLQSHRSKG-KGYLQXTDSA-N 1 1 320.393 -1.066 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001084624368 776181360 /nfs/dbraw/zinc/18/13/60/776181360.db2.gz OAVZMXHBCQYCEN-GRYCIOLGSA-N 1 1 324.381 -2.012 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001084624368 776181365 /nfs/dbraw/zinc/18/13/65/776181365.db2.gz OAVZMXHBCQYCEN-GRYCIOLGSA-N 1 1 324.381 -2.012 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084620637 776181972 /nfs/dbraw/zinc/18/19/72/776181972.db2.gz PJFFOQMXXXFAEF-GRYCIOLGSA-N 1 1 319.369 -1.508 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084621466 776182019 /nfs/dbraw/zinc/18/20/19/776182019.db2.gz NVJRHCOJJNWXEL-IJLUTSLNSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084621466 776182025 /nfs/dbraw/zinc/18/20/25/776182025.db2.gz NVJRHCOJJNWXEL-IJLUTSLNSA-N 1 1 321.381 -1.567 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084614873 776182184 /nfs/dbraw/zinc/18/21/84/776182184.db2.gz HQDMZHDNBHZVSI-FXPVBKGRSA-N 1 1 305.338 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084614873 776182190 /nfs/dbraw/zinc/18/21/90/776182190.db2.gz HQDMZHDNBHZVSI-FXPVBKGRSA-N 1 1 305.338 -1.210 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084575003 776182309 /nfs/dbraw/zinc/18/23/09/776182309.db2.gz XSFMMAAKIJOSDO-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084614874 776182350 /nfs/dbraw/zinc/18/23/50/776182350.db2.gz HQDMZHDNBHZVSI-IQJOONFLSA-N 1 1 305.338 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001084614874 776182355 /nfs/dbraw/zinc/18/23/55/776182355.db2.gz HQDMZHDNBHZVSI-IQJOONFLSA-N 1 1 305.338 -1.210 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625282 776183195 /nfs/dbraw/zinc/18/31/95/776183195.db2.gz YYELLSWJVXCAAZ-GHMZBOCLSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625282 776183219 /nfs/dbraw/zinc/18/32/19/776183219.db2.gz YYELLSWJVXCAAZ-GHMZBOCLSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099812819 776183297 /nfs/dbraw/zinc/18/32/97/776183297.db2.gz HVHIMOYATMFCIG-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625534 776183419 /nfs/dbraw/zinc/18/34/19/776183419.db2.gz FIRVLRUDMMEUGY-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001084625534 776183426 /nfs/dbraw/zinc/18/34/26/776183426.db2.gz FIRVLRUDMMEUGY-GMTAPVOTSA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665159 776184056 /nfs/dbraw/zinc/18/40/56/776184056.db2.gz JSGZQBKATVXBEM-WISYIIOYSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001084665159 776184060 /nfs/dbraw/zinc/18/40/60/776184060.db2.gz JSGZQBKATVXBEM-WISYIIOYSA-N 1 1 308.382 -1.271 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084625954 776184497 /nfs/dbraw/zinc/18/44/97/776184497.db2.gz VVGUJARREYPOJK-GMTAPVOTSA-N 1 1 306.366 -1.327 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001084625954 776184504 /nfs/dbraw/zinc/18/45/04/776184504.db2.gz VVGUJARREYPOJK-GMTAPVOTSA-N 1 1 306.366 -1.327 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084666845 776184610 /nfs/dbraw/zinc/18/46/10/776184610.db2.gz YLJOSLWKCQNQQP-FVCCEPFGSA-N 1 1 318.381 -1.068 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099809516 776184643 /nfs/dbraw/zinc/18/46/43/776184643.db2.gz ITFRMTWCXUAUMA-RYUDHWBXSA-N 1 1 313.398 -1.069 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099809516 776184649 /nfs/dbraw/zinc/18/46/49/776184649.db2.gz ITFRMTWCXUAUMA-RYUDHWBXSA-N 1 1 313.398 -1.069 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084690421 776185485 /nfs/dbraw/zinc/18/54/85/776185485.db2.gz XMSJOYZKMOLQSP-OUAUKWLOSA-N 1 1 310.354 -1.500 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737799 776186157 /nfs/dbraw/zinc/18/61/57/776186157.db2.gz CBSVULIJXPAAFP-GRYCIOLGSA-N 1 1 321.385 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737799 776186164 /nfs/dbraw/zinc/18/61/64/776186164.db2.gz CBSVULIJXPAAFP-GRYCIOLGSA-N 1 1 321.385 -1.140 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)c1=O ZINC001098912482 776188479 /nfs/dbraw/zinc/18/84/79/776188479.db2.gz KDPNWJDAQXLFDB-HZMBPMFUSA-N 1 1 322.369 -1.962 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)c1=O ZINC001098912482 776188482 /nfs/dbraw/zinc/18/84/82/776188482.db2.gz KDPNWJDAQXLFDB-HZMBPMFUSA-N 1 1 322.369 -1.962 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084773730 776188548 /nfs/dbraw/zinc/18/85/48/776188548.db2.gz AFKMCUQKTAYZEL-MWLCHTKSSA-N 1 1 318.337 -1.444 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1=O ZINC001084773010 776188857 /nfs/dbraw/zinc/18/88/57/776188857.db2.gz YIYSXVMRZWACDQ-GHMZBOCLSA-N 1 1 310.354 -1.595 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099823881 776188884 /nfs/dbraw/zinc/18/88/84/776188884.db2.gz LIGHZXSOUINATC-OLZOCXBDSA-N 1 1 316.398 -1.148 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099836374 776189906 /nfs/dbraw/zinc/18/99/06/776189906.db2.gz YXGHJLOWWMIKAV-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099833540 776190094 /nfs/dbraw/zinc/19/00/94/776190094.db2.gz XUUNUCHMCOXBBU-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001084820420 776190164 /nfs/dbraw/zinc/19/01/64/776190164.db2.gz WNFBRLWDCDYAOE-GMTAPVOTSA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001084820420 776190167 /nfs/dbraw/zinc/19/01/67/776190167.db2.gz WNFBRLWDCDYAOE-GMTAPVOTSA-N 1 1 322.365 -1.458 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084805335 776190176 /nfs/dbraw/zinc/19/01/76/776190176.db2.gz JRFPSKKKYSRJST-MGPQQGTHSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084817144 776190618 /nfs/dbraw/zinc/19/06/18/776190618.db2.gz LWAYFCGNNKKOGY-IJLUTSLNSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084817144 776190623 /nfs/dbraw/zinc/19/06/23/776190623.db2.gz LWAYFCGNNKKOGY-IJLUTSLNSA-N 1 1 304.354 -1.301 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001084852475 776192468 /nfs/dbraw/zinc/19/24/68/776192468.db2.gz AWNYDNRBJRDGHZ-CKYFFXLPSA-N 1 1 322.369 -1.710 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)C1 ZINC001084844571 776192487 /nfs/dbraw/zinc/19/24/87/776192487.db2.gz ZERVMCCICDPOSI-UPJWGTAASA-N 1 1 310.398 -1.275 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(CC(N)=O)C[C@H]32)C1 ZINC001084844571 776192488 /nfs/dbraw/zinc/19/24/88/776192488.db2.gz ZERVMCCICDPOSI-UPJWGTAASA-N 1 1 310.398 -1.275 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)nn1 ZINC001084852819 776192595 /nfs/dbraw/zinc/19/25/95/776192595.db2.gz PAZHDVAWJOBTFK-MWLCHTKSSA-N 1 1 308.342 -2.098 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838392 776192632 /nfs/dbraw/zinc/19/26/32/776192632.db2.gz MVFZKOMRNUBQNV-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C[C@@H]21 ZINC001084931876 776193729 /nfs/dbraw/zinc/19/37/29/776193729.db2.gz WENMWXSLNHRKHX-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C[C@@H]21 ZINC001084931876 776193736 /nfs/dbraw/zinc/19/37/36/776193736.db2.gz WENMWXSLNHRKHX-MXWKQRLJSA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099845593 776193812 /nfs/dbraw/zinc/19/38/12/776193812.db2.gz ZSRCSRMMHIVHGJ-VXGBXAGGSA-N 1 1 311.338 -1.447 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001084873653 776194252 /nfs/dbraw/zinc/19/42/52/776194252.db2.gz OILOHBVQSYCJNY-OUAUKWLOSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001084873653 776194255 /nfs/dbraw/zinc/19/42/55/776194255.db2.gz OILOHBVQSYCJNY-OUAUKWLOSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099845590 776194264 /nfs/dbraw/zinc/19/42/64/776194264.db2.gz ZSRCSRMMHIVHGJ-NEPJUHHUSA-N 1 1 311.338 -1.447 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C[C@@H]21 ZINC001084964783 776195364 /nfs/dbraw/zinc/19/53/64/776195364.db2.gz QPWVXACUGRWLRH-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C[C@@H]21 ZINC001084964783 776195369 /nfs/dbraw/zinc/19/53/69/776195369.db2.gz QPWVXACUGRWLRH-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]1(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CNC(=O)C1 ZINC001084996519 776195450 /nfs/dbraw/zinc/19/54/50/776195450.db2.gz LYPZBXJSAGYIFJ-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]1(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CNC(=O)C1 ZINC001084996519 776195454 /nfs/dbraw/zinc/19/54/54/776195454.db2.gz LYPZBXJSAGYIFJ-JRPNMDOOSA-N 1 1 308.382 -1.079 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099861401 776195531 /nfs/dbraw/zinc/19/55/31/776195531.db2.gz RSQQYMQQGFWJJQ-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099861401 776195534 /nfs/dbraw/zinc/19/55/34/776195534.db2.gz RSQQYMQQGFWJJQ-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001084961204 776195842 /nfs/dbraw/zinc/19/58/42/776195842.db2.gz SBYMZHOOXTWFRE-WOPDTQHZSA-N 1 1 324.381 -1.110 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)S(C)(=O)=O ZINC001099861649 776196497 /nfs/dbraw/zinc/19/64/97/776196497.db2.gz WUSIXFKFLHVZPK-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099861273 776196542 /nfs/dbraw/zinc/19/65/42/776196542.db2.gz PFSYFNWBFFSXAB-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099861777 776196573 /nfs/dbraw/zinc/19/65/73/776196573.db2.gz YSGNBUNJHKJVBA-UWVGGRQHSA-N 1 1 309.388 -2.531 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C[C@@H]21 ZINC001084964784 776196659 /nfs/dbraw/zinc/19/66/59/776196659.db2.gz QPWVXACUGRWLRH-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C[C@@H]21 ZINC001084964784 776196662 /nfs/dbraw/zinc/19/66/62/776196662.db2.gz QPWVXACUGRWLRH-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 ZINC001084976221 776196692 /nfs/dbraw/zinc/19/66/92/776196692.db2.gz WPRXPYZAJAXCBA-XQQFMLRXSA-N 1 1 323.397 -1.115 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C(=O)C1CC1 ZINC001099862918 776197475 /nfs/dbraw/zinc/19/74/75/776197475.db2.gz FPXUAWXCHICRIY-QWHCGFSZSA-N 1 1 313.398 -1.211 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099861837 776197535 /nfs/dbraw/zinc/19/75/35/776197535.db2.gz ZKKCEKCCWKYHLI-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099861778 776198019 /nfs/dbraw/zinc/19/80/19/776198019.db2.gz YSGNBUNJHKJVBA-VHSXEESVSA-N 1 1 309.388 -2.531 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 ZINC001085020384 776198061 /nfs/dbraw/zinc/19/80/61/776198061.db2.gz SIZLDSJSTBWYMX-MXWKQRLJSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 ZINC001085020384 776198067 /nfs/dbraw/zinc/19/80/67/776198067.db2.gz SIZLDSJSTBWYMX-MXWKQRLJSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1=O ZINC001085012249 776198183 /nfs/dbraw/zinc/19/81/83/776198183.db2.gz GNKYKJXFNSABAF-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1=O ZINC001085012249 776198186 /nfs/dbraw/zinc/19/81/86/776198186.db2.gz GNKYKJXFNSABAF-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C(=O)C1CC1 ZINC001099862916 776198209 /nfs/dbraw/zinc/19/82/09/776198209.db2.gz FPXUAWXCHICRIY-CHWSQXEVSA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864112 776198512 /nfs/dbraw/zinc/19/85/12/776198512.db2.gz POTHLPHAXRKYRG-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001085045302 776199440 /nfs/dbraw/zinc/19/94/40/776199440.db2.gz GUKSPJODSKWADO-WOPDTQHZSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085095739 776199866 /nfs/dbraw/zinc/19/98/66/776199866.db2.gz IFCKUUUPCOJYHQ-UTUOFQBUSA-N 1 1 317.411 -1.407 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000823788676 776201655 /nfs/dbraw/zinc/20/16/55/776201655.db2.gz PBLVMVILLBUXOA-UHFFFAOYSA-N 1 1 322.373 -1.815 20 0 DAADMO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)Cc1ccn[nH]1 ZINC001273305245 776204366 /nfs/dbraw/zinc/20/43/66/776204366.db2.gz GQFRECDOBZJMQB-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001085315728 776205974 /nfs/dbraw/zinc/20/59/74/776205974.db2.gz HSIAIKNCHKINAD-OPRDCNLKSA-N 1 1 322.373 -1.592 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCNC(=O)C1 ZINC001273323657 776207807 /nfs/dbraw/zinc/20/78/07/776207807.db2.gz AWRNAMLFDITOTD-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001085334747 776207884 /nfs/dbraw/zinc/20/78/84/776207884.db2.gz HEXTVPLKRQMYEY-LMLFDSFASA-N 1 1 321.385 -1.152 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)COc2cnn(C)c2)[C@H](O)C1 ZINC001099971701 776208034 /nfs/dbraw/zinc/20/80/34/776208034.db2.gz LJCSAGOUSODRGE-QWHCGFSZSA-N 1 1 312.370 -1.003 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971872 776208109 /nfs/dbraw/zinc/20/81/09/776208109.db2.gz NPIMGNVEBJPQRP-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971872 776208111 /nfs/dbraw/zinc/20/81/11/776208111.db2.gz NPIMGNVEBJPQRP-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967818 776208252 /nfs/dbraw/zinc/20/82/52/776208252.db2.gz TZKUTKGUYLZTIR-ZYHUDNBSSA-N 1 1 310.354 -1.029 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001099974917 776209908 /nfs/dbraw/zinc/20/99/08/776209908.db2.gz WSGJHSBNYLDUQK-YUMQZZPRSA-N 1 1 313.276 -1.398 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001099974917 776209913 /nfs/dbraw/zinc/20/99/13/776209913.db2.gz WSGJHSBNYLDUQK-YUMQZZPRSA-N 1 1 313.276 -1.398 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1)C1CC1 ZINC001099973876 776210062 /nfs/dbraw/zinc/21/00/62/776210062.db2.gz KFSFEAFVECUICW-WDEREUQCSA-N 1 1 312.370 -1.966 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1)C1CC1 ZINC001099973876 776210065 /nfs/dbraw/zinc/21/00/65/776210065.db2.gz KFSFEAFVECUICW-WDEREUQCSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531554 776212568 /nfs/dbraw/zinc/21/25/68/776212568.db2.gz VTFIIVAKPNTKPC-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531554 776212575 /nfs/dbraw/zinc/21/25/75/776212575.db2.gz VTFIIVAKPNTKPC-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154952968 776213118 /nfs/dbraw/zinc/21/31/18/776213118.db2.gz RWAFFKYAHSGQBX-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO CC[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154952968 776213127 /nfs/dbraw/zinc/21/31/27/776213127.db2.gz RWAFFKYAHSGQBX-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](CCO)CCOC)CC1 ZINC001098386350 776213594 /nfs/dbraw/zinc/21/35/94/776213594.db2.gz PMBYGSDCGMLLMR-UHFFFAOYSA-N 1 1 316.402 -1.153 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098385856 776213697 /nfs/dbraw/zinc/21/36/97/776213697.db2.gz GJCRHZRBDWKPAW-NSHDSACASA-N 1 1 316.402 -1.419 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001085580854 776216965 /nfs/dbraw/zinc/21/69/65/776216965.db2.gz WPTJWDYCWNKMFL-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001085580854 776216968 /nfs/dbraw/zinc/21/69/68/776216968.db2.gz WPTJWDYCWNKMFL-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1n[nH]cc1F ZINC001099991970 776219750 /nfs/dbraw/zinc/21/97/50/776219750.db2.gz SENYSJNBAXEXAR-QWRGUYRKSA-N 1 1 316.333 -1.277 20 0 DAADMO CN(C[C@H]1CCN1CC(N)=O)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732061 776220427 /nfs/dbraw/zinc/22/04/27/776220427.db2.gz QGSCBYPRCPYGPB-LGESCRJUSA-N 1 1 322.409 -1.132 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001085761593 776222147 /nfs/dbraw/zinc/22/21/47/776222147.db2.gz OGEFLDVCPRZZLG-NWDGAFQWSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001085761593 776222151 /nfs/dbraw/zinc/22/21/51/776222151.db2.gz OGEFLDVCPRZZLG-NWDGAFQWSA-N 1 1 321.385 -1.166 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC[C@@H]1CCOC1 ZINC001168771566 776225627 /nfs/dbraw/zinc/22/56/27/776225627.db2.gz JXSRLSBNACVOTE-JTQLQIEISA-N 1 1 310.358 -1.333 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC[C@@H]1CCOC1 ZINC001168771566 776225632 /nfs/dbraw/zinc/22/56/32/776225632.db2.gz JXSRLSBNACVOTE-JTQLQIEISA-N 1 1 310.358 -1.333 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085794146 776225770 /nfs/dbraw/zinc/22/57/70/776225770.db2.gz UVXKHLQKDRVRPV-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085794146 776225776 /nfs/dbraw/zinc/22/57/76/776225776.db2.gz UVXKHLQKDRVRPV-GHMZBOCLSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793160 776225852 /nfs/dbraw/zinc/22/58/52/776225852.db2.gz CNHNLGCNGBWJKR-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001085793160 776225856 /nfs/dbraw/zinc/22/58/56/776225856.db2.gz CNHNLGCNGBWJKR-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(CN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273362496 776226505 /nfs/dbraw/zinc/22/65/05/776226505.db2.gz CKRAMJYGHUZPNZ-UHFFFAOYSA-N 1 1 304.354 -1.195 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821998 776227044 /nfs/dbraw/zinc/22/70/44/776227044.db2.gz SPYKGIOUUZVWRM-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821998 776227052 /nfs/dbraw/zinc/22/70/52/776227052.db2.gz SPYKGIOUUZVWRM-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085849634 776227947 /nfs/dbraw/zinc/22/79/47/776227947.db2.gz CBAXYMOVTZSQJG-LLVKDONJSA-N 1 1 324.381 -1.123 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085850412 776228132 /nfs/dbraw/zinc/22/81/32/776228132.db2.gz WIGAFTDENKDTAB-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001085810734 776228149 /nfs/dbraw/zinc/22/81/49/776228149.db2.gz MLIOHDWDNBNXFL-MRVPVSSYSA-N 1 1 317.371 -1.804 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001085810734 776228153 /nfs/dbraw/zinc/22/81/53/776228153.db2.gz MLIOHDWDNBNXFL-MRVPVSSYSA-N 1 1 317.371 -1.804 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC[C@H]1CCOC1 ZINC001168771570 776228178 /nfs/dbraw/zinc/22/81/78/776228178.db2.gz JXSRLSBNACVOTE-SNVBAGLBSA-N 1 1 310.358 -1.333 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC[C@H]1CCOC1 ZINC001168771570 776228181 /nfs/dbraw/zinc/22/81/81/776228181.db2.gz JXSRLSBNACVOTE-SNVBAGLBSA-N 1 1 310.358 -1.333 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085851594 776228188 /nfs/dbraw/zinc/22/81/88/776228188.db2.gz ZXXLSNHXWTXLMG-GHMZBOCLSA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C)S(=O)(=O)N1CC2(CN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273367476 776230000 /nfs/dbraw/zinc/23/00/00/776230000.db2.gz SXHJXHJOHOCEKE-UHFFFAOYSA-N 1 1 302.400 -1.357 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001100008613 776230642 /nfs/dbraw/zinc/23/06/42/776230642.db2.gz LIHPGHXKROKWSW-CHWSQXEVSA-N 1 1 311.386 -1.319 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001085934511 776231596 /nfs/dbraw/zinc/23/15/96/776231596.db2.gz DGWQAAYNAGRDBX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001085934511 776231599 /nfs/dbraw/zinc/23/15/99/776231599.db2.gz DGWQAAYNAGRDBX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090403066 776235279 /nfs/dbraw/zinc/23/52/79/776235279.db2.gz JSKIPWJZWOYGBJ-ZJUUUORDSA-N 1 1 314.317 -1.530 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090403066 776235283 /nfs/dbraw/zinc/23/52/83/776235283.db2.gz JSKIPWJZWOYGBJ-ZJUUUORDSA-N 1 1 314.317 -1.530 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986590 776235356 /nfs/dbraw/zinc/23/53/56/776235356.db2.gz IHGLLOOJCMVNQW-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100019920 776235413 /nfs/dbraw/zinc/23/54/13/776235413.db2.gz JJJPDCGOLBJPLU-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100021120 776235660 /nfs/dbraw/zinc/23/56/60/776235660.db2.gz YHDZZDBENXZGPJ-MNOVXSKESA-N 1 1 322.431 -1.658 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986308 776235691 /nfs/dbraw/zinc/23/56/91/776235691.db2.gz AKGFNVSKAOFJGD-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086052579 776236421 /nfs/dbraw/zinc/23/64/21/776236421.db2.gz OKWXEKYBXYUGTB-TUAOUCFPSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086052579 776236425 /nfs/dbraw/zinc/23/64/25/776236425.db2.gz OKWXEKYBXYUGTB-TUAOUCFPSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001086046876 776236473 /nfs/dbraw/zinc/23/64/73/776236473.db2.gz SYKDLVRSCBPXJY-KXUCPTDWSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001086075533 776238355 /nfs/dbraw/zinc/23/83/55/776238355.db2.gz MQUVLPUNJJFTBS-YIZRAAEISA-N 1 1 309.330 -1.697 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001100026728 776238540 /nfs/dbraw/zinc/23/85/40/776238540.db2.gz HCRKMXAMLFQVOY-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001100026728 776238543 /nfs/dbraw/zinc/23/85/43/776238543.db2.gz HCRKMXAMLFQVOY-STQMWFEESA-N 1 1 323.397 -1.050 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001086071192 776238625 /nfs/dbraw/zinc/23/86/25/776238625.db2.gz AYCARAMTZJEMTE-DTORHVGOSA-N 1 1 321.341 -1.200 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001100026725 776238834 /nfs/dbraw/zinc/23/88/34/776238834.db2.gz HCRKMXAMLFQVOY-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001100026725 776238839 /nfs/dbraw/zinc/23/88/39/776238839.db2.gz HCRKMXAMLFQVOY-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001100029117 776240189 /nfs/dbraw/zinc/24/01/89/776240189.db2.gz IQRZVKIGZDOQHB-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001100029117 776240192 /nfs/dbraw/zinc/24/01/92/776240192.db2.gz IQRZVKIGZDOQHB-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(=O)NC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CCCC1 ZINC001100031714 776242303 /nfs/dbraw/zinc/24/23/03/776242303.db2.gz JFEWJTJRMOLFCH-QWHCGFSZSA-N 1 1 313.398 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001086133938 776243926 /nfs/dbraw/zinc/24/39/26/776243926.db2.gz LCPJYHIBEJTNTF-GARJFASQSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001086166725 776244682 /nfs/dbraw/zinc/24/46/82/776244682.db2.gz PAFAOKPTKJNGFX-YTWAJWBKSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001086166723 776244725 /nfs/dbraw/zinc/24/47/25/776244725.db2.gz PAFAOKPTKJNGFX-LMLFDSFASA-N 1 1 321.385 -1.294 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001100038348 776245175 /nfs/dbraw/zinc/24/51/75/776245175.db2.gz IJXYVJDITGGMNU-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001100038348 776245185 /nfs/dbraw/zinc/24/51/85/776245185.db2.gz IJXYVJDITGGMNU-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001100038348 776245194 /nfs/dbraw/zinc/24/51/94/776245194.db2.gz IJXYVJDITGGMNU-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001086168857 776246819 /nfs/dbraw/zinc/24/68/19/776246819.db2.gz YCMCHVCBOPIQHH-AEJSXWLSSA-N 1 1 307.358 -1.669 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086168520 776247110 /nfs/dbraw/zinc/24/71/10/776247110.db2.gz ODZTYMNKPKQLFM-KXUCPTDWSA-N 1 1 322.373 -1.782 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001086170086 776247187 /nfs/dbraw/zinc/24/71/87/776247187.db2.gz ZOVQWWSJHPHUPH-OUAUKWLOSA-N 1 1 321.385 -1.327 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ncccn1 ZINC001100040968 776249826 /nfs/dbraw/zinc/24/98/26/776249826.db2.gz CEDQWKZCKOKMMN-VXGBXAGGSA-N 1 1 310.354 -1.350 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100041277 776250379 /nfs/dbraw/zinc/25/03/79/776250379.db2.gz GVMXDBGDBPEVSC-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100041280 776250541 /nfs/dbraw/zinc/25/05/41/776250541.db2.gz GVMXDBGDBPEVSC-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1 ZINC001100042233 776250715 /nfs/dbraw/zinc/25/07/15/776250715.db2.gz WEYQGYQEGFWNBH-CMPLNLGQSA-N 1 1 314.342 -1.102 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100051188 776252330 /nfs/dbraw/zinc/25/23/30/776252330.db2.gz UAXRTCSPYZFLQX-VXGBXAGGSA-N 1 1 310.354 -1.823 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001086255780 776252802 /nfs/dbraw/zinc/25/28/02/776252802.db2.gz SYKDLVRSCBPXJY-AEJSXWLSSA-N 1 1 307.358 -1.527 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100051187 776253075 /nfs/dbraw/zinc/25/30/75/776253075.db2.gz UAXRTCSPYZFLQX-RYUDHWBXSA-N 1 1 310.354 -1.823 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCO)C[C@H]2O)CC1 ZINC001100050776 776253168 /nfs/dbraw/zinc/25/31/68/776253168.db2.gz MWYTUPMGTRXTLK-UONOGXRCSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(CCCn1cncn1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100062180 776254335 /nfs/dbraw/zinc/25/43/35/776254335.db2.gz PLVOJNYZIWSYAZ-STQMWFEESA-N 1 1 311.386 -1.008 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100057242 776254518 /nfs/dbraw/zinc/25/45/18/776254518.db2.gz DGWSROKYWCPCQM-QWRGUYRKSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100057242 776254526 /nfs/dbraw/zinc/25/45/26/776254526.db2.gz DGWSROKYWCPCQM-QWRGUYRKSA-N 1 1 315.349 -1.147 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 ZINC001100058808 776255229 /nfs/dbraw/zinc/25/52/29/776255229.db2.gz ZSENTUCQWAKKCM-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001086337696 776256313 /nfs/dbraw/zinc/25/63/13/776256313.db2.gz GIXNIXMYEBZMJV-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001108264834 776256565 /nfs/dbraw/zinc/25/65/65/776256565.db2.gz ZYQNNRVHOFYNCK-FZMZJTMJSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001108264834 776256574 /nfs/dbraw/zinc/25/65/74/776256574.db2.gz ZYQNNRVHOFYNCK-FZMZJTMJSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086331800 776256951 /nfs/dbraw/zinc/25/69/51/776256951.db2.gz HQYFWZAKRDTWPJ-SRVKXCTJSA-N 1 1 323.401 -1.475 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001086413888 776259987 /nfs/dbraw/zinc/25/99/87/776259987.db2.gz BNCWDBPVZPNKMX-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001086446602 776262309 /nfs/dbraw/zinc/26/23/09/776262309.db2.gz PAFAOKPTKJNGFX-XWLWVQCSSA-N 1 1 321.385 -1.294 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100084145 776262660 /nfs/dbraw/zinc/26/26/60/776262660.db2.gz XWVSMLBIFUTYCQ-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100084145 776262670 /nfs/dbraw/zinc/26/26/70/776262670.db2.gz XWVSMLBIFUTYCQ-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086448669 776263490 /nfs/dbraw/zinc/26/34/90/776263490.db2.gz ODZTYMNKPKQLFM-OPRDCNLKSA-N 1 1 322.373 -1.782 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115281788 776263635 /nfs/dbraw/zinc/26/36/35/776263635.db2.gz BKXMUVXXFCVRHR-GDGBQDQQSA-N 1 1 318.399 -2.200 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115281788 776263641 /nfs/dbraw/zinc/26/36/41/776263641.db2.gz BKXMUVXXFCVRHR-GDGBQDQQSA-N 1 1 318.399 -2.200 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001086447805 776264110 /nfs/dbraw/zinc/26/41/10/776264110.db2.gz YCMCHVCBOPIQHH-GUBZILKMSA-N 1 1 307.358 -1.669 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001086450708 776264501 /nfs/dbraw/zinc/26/45/01/776264501.db2.gz HBDNASWDNWLFGQ-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100097593 776266923 /nfs/dbraw/zinc/26/69/23/776266923.db2.gz YYTCFYNPHHUONW-QWRGUYRKSA-N 1 1 311.338 -1.447 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100100617 776267199 /nfs/dbraw/zinc/26/71/99/776267199.db2.gz BQMDDOLTSIVLCW-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100100617 776267203 /nfs/dbraw/zinc/26/72/03/776267203.db2.gz BQMDDOLTSIVLCW-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2csnn2)CC1 ZINC001098442969 776267379 /nfs/dbraw/zinc/26/73/79/776267379.db2.gz VCXMLEZZZIVIIX-UHFFFAOYSA-N 1 1 313.383 -1.078 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101481 776268859 /nfs/dbraw/zinc/26/88/59/776268859.db2.gz MZDQISCJXOCRSA-RYUDHWBXSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101481 776268862 /nfs/dbraw/zinc/26/88/62/776268862.db2.gz MZDQISCJXOCRSA-RYUDHWBXSA-N 1 1 324.385 -1.646 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098446120 776268997 /nfs/dbraw/zinc/26/89/97/776268997.db2.gz GVMBWECYLAFUHO-UHFFFAOYSA-N 1 1 310.358 -1.503 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098446120 776269005 /nfs/dbraw/zinc/26/90/05/776269005.db2.gz GVMBWECYLAFUHO-UHFFFAOYSA-N 1 1 310.358 -1.503 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098446120 776269012 /nfs/dbraw/zinc/26/90/12/776269012.db2.gz GVMBWECYLAFUHO-UHFFFAOYSA-N 1 1 310.358 -1.503 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086504968 776269719 /nfs/dbraw/zinc/26/97/19/776269719.db2.gz ZQXJDSNSYUWWIF-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO C[C@]1(CNC(=O)CN2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108283362 776269774 /nfs/dbraw/zinc/26/97/74/776269774.db2.gz APNPFDALUIGKOX-ZDUSSCGKSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@]1(CNC(=O)CN2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108283362 776269777 /nfs/dbraw/zinc/26/97/77/776269777.db2.gz APNPFDALUIGKOX-ZDUSSCGKSA-N 1 1 314.342 -2.262 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001100110443 776271804 /nfs/dbraw/zinc/27/18/04/776271804.db2.gz VUSSHUNISHWIFJ-ZJUUUORDSA-N 1 1 312.326 -1.535 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(CCO)CC(N)=O)CC1 ZINC001098449984 776271861 /nfs/dbraw/zinc/27/18/61/776271861.db2.gz YDIIPSQEVJBZTP-CYBMUJFWSA-N 1 1 312.414 -1.149 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(CCO)CC(N)=O)CC1 ZINC001098449984 776271864 /nfs/dbraw/zinc/27/18/64/776271864.db2.gz YDIIPSQEVJBZTP-CYBMUJFWSA-N 1 1 312.414 -1.149 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C(=O)NCC(F)(F)F ZINC001156051401 776272276 /nfs/dbraw/zinc/27/22/76/776272276.db2.gz JCDNMNBAUBZEFL-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C(=O)NCC(F)(F)F ZINC001156051401 776272292 /nfs/dbraw/zinc/27/22/92/776272292.db2.gz JCDNMNBAUBZEFL-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)c2ncn[nH]2)C1=O ZINC001168780829 776273408 /nfs/dbraw/zinc/27/34/08/776273408.db2.gz ABJCXOVVYBECSG-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)c2nc[nH]n2)C1=O ZINC001168780829 776273411 /nfs/dbraw/zinc/27/34/11/776273411.db2.gz ABJCXOVVYBECSG-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100117184 776273490 /nfs/dbraw/zinc/27/34/90/776273490.db2.gz DJAWZHBEMIXRCQ-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168781211 776274280 /nfs/dbraw/zinc/27/42/80/776274280.db2.gz GKUSVXGDUWFTTQ-QMMMGPOBSA-N 1 1 311.346 -1.252 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168781211 776274289 /nfs/dbraw/zinc/27/42/89/776274289.db2.gz GKUSVXGDUWFTTQ-QMMMGPOBSA-N 1 1 311.346 -1.252 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100117183 776274369 /nfs/dbraw/zinc/27/43/69/776274369.db2.gz DJAWZHBEMIXRCQ-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001098456304 776274919 /nfs/dbraw/zinc/27/49/19/776274919.db2.gz YWWKTEJDIVRWDW-IMRBUKKESA-N 1 1 311.382 -1.351 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnnn2)C[N@H+](CCCO)CCO1 ZINC001108303109 776275073 /nfs/dbraw/zinc/27/50/73/776275073.db2.gz TWMDXUDTKKOUMB-CYBMUJFWSA-N 1 1 312.374 -1.347 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnnn2)C[N@@H+](CCCO)CCO1 ZINC001108303109 776275082 /nfs/dbraw/zinc/27/50/82/776275082.db2.gz TWMDXUDTKKOUMB-CYBMUJFWSA-N 1 1 312.374 -1.347 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)o1 ZINC001090416619 776275765 /nfs/dbraw/zinc/27/57/65/776275765.db2.gz JKBIMHMDUQTPQY-UWVGGRQHSA-N 1 1 311.338 -1.074 20 0 DAADMO C[C@@H](CNc1ccc2nnnn2n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001108302892 776276401 /nfs/dbraw/zinc/27/64/01/776276401.db2.gz ICRNMFWWZJZZPC-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNc1ccc2nnnn2n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001108302892 776276404 /nfs/dbraw/zinc/27/64/04/776276404.db2.gz ICRNMFWWZJZZPC-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108373254 776277886 /nfs/dbraw/zinc/27/78/86/776277886.db2.gz SFKZLAIJNBLGCU-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108373254 776277892 /nfs/dbraw/zinc/27/78/92/776277892.db2.gz SFKZLAIJNBLGCU-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383186 776278698 /nfs/dbraw/zinc/27/86/98/776278698.db2.gz ZDPQFVRWWUJCNK-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383186 776278707 /nfs/dbraw/zinc/27/87/07/776278707.db2.gz ZDPQFVRWWUJCNK-ABAIWWIYSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[N@H+](CCO)CCO1 ZINC001108401335 776280147 /nfs/dbraw/zinc/28/01/47/776280147.db2.gz PXSWWCLNYVPEAK-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@]1(CNC(=O)c2c[nH]c(C(N)=O)c2)C[N@@H+](CCO)CCO1 ZINC001108401335 776280158 /nfs/dbraw/zinc/28/01/58/776280158.db2.gz PXSWWCLNYVPEAK-AWEZNQCLSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@]1(CNC(=O)CCNC(N)=O)C[N@H+](CCCO)CCO1 ZINC001108387517 776280599 /nfs/dbraw/zinc/28/05/99/776280599.db2.gz RZQLUSSVVXWYIS-ZDUSSCGKSA-N 1 1 302.375 -1.366 20 0 DAADMO C[C@]1(CNC(=O)CCNC(N)=O)C[N@@H+](CCCO)CCO1 ZINC001108387517 776280604 /nfs/dbraw/zinc/28/06/04/776280604.db2.gz RZQLUSSVVXWYIS-ZDUSSCGKSA-N 1 1 302.375 -1.366 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402998 776282091 /nfs/dbraw/zinc/28/20/91/776282091.db2.gz SANLCKFYYZTMHL-ZYHUDNBSSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001108402998 776282094 /nfs/dbraw/zinc/28/20/94/776282094.db2.gz SANLCKFYYZTMHL-ZYHUDNBSSA-N 1 1 305.400 -1.095 20 0 DAADMO COC(=O)c1cc(-n2nnnc2C[NH3+])nc(S(C)(=O)=O)n1 ZINC001168918626 776282163 /nfs/dbraw/zinc/28/21/63/776282163.db2.gz HXTMNDOZXCLMMI-UHFFFAOYSA-N 1 1 313.299 -1.899 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)C[N@H+](CCO)CCO1 ZINC001108439930 776283141 /nfs/dbraw/zinc/28/31/41/776283141.db2.gz YTLDUNWPKWZVLH-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CCCN2C(N)=O)C[N@@H+](CCO)CCO1 ZINC001108439930 776283142 /nfs/dbraw/zinc/28/31/42/776283142.db2.gz YTLDUNWPKWZVLH-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421819 776283389 /nfs/dbraw/zinc/28/33/89/776283389.db2.gz XCDAKCMYPOSVMA-AWEZNQCLSA-N 1 1 324.385 -1.006 20 0 DAADMO C[NH+]1CCN(C(=O)c2ccnc(N[C@H](CO)C(N)=O)c2)CC1 ZINC001169324024 776287854 /nfs/dbraw/zinc/28/78/54/776287854.db2.gz NVMWRZVSUNSZMT-LLVKDONJSA-N 1 1 307.354 -1.273 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C(F)F)CC2=O)C1 ZINC001108492929 776290748 /nfs/dbraw/zinc/29/07/48/776290748.db2.gz BATJLJWRODUIIH-WCBMZHEXSA-N 1 1 321.324 -1.340 20 0 DAADMO COCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](O)COC)C2)C1 ZINC001108492972 776291293 /nfs/dbraw/zinc/29/12/93/776291293.db2.gz CHMFEUJKGKVMHA-JQWIXIFHSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOC(=O)N1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001169671152 776298067 /nfs/dbraw/zinc/29/80/67/776298067.db2.gz DFEBTGNGLQBPBN-QNWHQSFQSA-N 1 1 312.418 -1.010 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108525365 776298132 /nfs/dbraw/zinc/29/81/32/776298132.db2.gz LJJKWZQMFQRISG-SECBINFHSA-N 1 1 300.334 -1.377 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108525928 776298408 /nfs/dbraw/zinc/29/84/08/776298408.db2.gz RXWXTYSMJRRWJP-NXEZZACHSA-N 1 1 312.370 -1.702 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001108536244 776299652 /nfs/dbraw/zinc/29/96/52/776299652.db2.gz CNMJFBFRQOZLLC-NXEZZACHSA-N 1 1 312.370 -2.095 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC(C)(C)O)CC2=O)C1 ZINC001108541760 776301128 /nfs/dbraw/zinc/30/11/28/776301128.db2.gz ZBOVZFOZZDXDQP-QWRGUYRKSA-N 1 1 313.398 -1.071 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C(C)C)C2)C1 ZINC001108549458 776301926 /nfs/dbraw/zinc/30/19/26/776301926.db2.gz KVTZLFBHDTVTTD-SNVBAGLBSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C(C)C)C2)C1 ZINC001108549457 776301989 /nfs/dbraw/zinc/30/19/89/776301989.db2.gz KVTZLFBHDTVTTD-JTQLQIEISA-N 1 1 311.386 -1.275 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)NC(N)=O)CC2=O)C1 ZINC001108545367 776302948 /nfs/dbraw/zinc/30/29/48/776302948.db2.gz UOLLOALMMUAMBV-NXEZZACHSA-N 1 1 311.386 -1.146 20 0 DAADMO CCOCCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566221 776307343 /nfs/dbraw/zinc/30/73/43/776307343.db2.gz GCHOQVWAWVUMEJ-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C(=O)NCC3CC3)CC2=O)C1 ZINC001108583145 776308608 /nfs/dbraw/zinc/30/86/08/776308608.db2.gz JXMWARJRAGWPGK-NSHDSACASA-N 1 1 308.382 -1.066 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108587754 776308746 /nfs/dbraw/zinc/30/87/46/776308746.db2.gz WHYZOXGKUUYFLA-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108580225 776309538 /nfs/dbraw/zinc/30/95/38/776309538.db2.gz DBUDHPFFOZJLMZ-LLVKDONJSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)c1cc[nH+]c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1 ZINC001169969469 776310770 /nfs/dbraw/zinc/31/07/70/776310770.db2.gz ITLHPQMADFYIEN-QVDPWDGTSA-N 1 1 300.315 -2.246 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CNC(N)=O)C3)n1 ZINC001108616639 776311986 /nfs/dbraw/zinc/31/19/86/776311986.db2.gz SHVYFTBFEFYJDF-AEJSXWLSSA-N 1 1 322.373 -1.653 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126108 776313459 /nfs/dbraw/zinc/31/34/59/776313459.db2.gz BOCGYFUNZNNVNL-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126107 776313573 /nfs/dbraw/zinc/31/35/73/776313573.db2.gz BOCGYFUNZNNVNL-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115309791 776314272 /nfs/dbraw/zinc/31/42/72/776314272.db2.gz SUTPVFRIKPFVNS-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO CN(C)c1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc[nH+]1 ZINC001169969672 776314910 /nfs/dbraw/zinc/31/49/10/776314910.db2.gz OIBVOESVWQYSOB-NENRSDFPSA-N 1 1 300.315 -2.246 20 0 DAADMO CN(C)c1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc[nH+]1 ZINC001169969673 776315134 /nfs/dbraw/zinc/31/51/34/776315134.db2.gz OIBVOESVWQYSOB-QVDPWDGTSA-N 1 1 300.315 -2.246 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100126201 776315393 /nfs/dbraw/zinc/31/53/93/776315393.db2.gz CWBWLBIRUVWDHS-ZJUUUORDSA-N 1 1 302.375 -1.762 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100126776 776317566 /nfs/dbraw/zinc/31/75/66/776317566.db2.gz MJQYMLBYSRSSEI-QWRGUYRKSA-N 1 1 316.402 -1.372 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108907871 776319091 /nfs/dbraw/zinc/31/90/91/776319091.db2.gz PTBHTUWAJQQZNA-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108907871 776319099 /nfs/dbraw/zinc/31/90/99/776319099.db2.gz PTBHTUWAJQQZNA-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917285 776319913 /nfs/dbraw/zinc/31/99/13/776319913.db2.gz ZERHAJUVBBWFIX-VLEAKVRGSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917285 776319920 /nfs/dbraw/zinc/31/99/20/776319920.db2.gz ZERHAJUVBBWFIX-VLEAKVRGSA-N 1 1 311.386 -1.147 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001108916330 776320910 /nfs/dbraw/zinc/32/09/10/776320910.db2.gz GKZJUQSXIKXNKK-WOPDTQHZSA-N 1 1 323.397 -1.098 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001108916330 776320922 /nfs/dbraw/zinc/32/09/22/776320922.db2.gz GKZJUQSXIKXNKK-WOPDTQHZSA-N 1 1 323.397 -1.098 20 0 DAADMO Cn1ccc2cc[nH+]c(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c21 ZINC001169972537 776321966 /nfs/dbraw/zinc/32/19/66/776321966.db2.gz VPYFUYHQIWALFB-ORMWDYAWSA-N 1 1 309.322 -1.215 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129380108 776324667 /nfs/dbraw/zinc/32/46/67/776324667.db2.gz DEMUTCKOZQAYBC-NSHDSACASA-N 1 1 321.389 -1.757 20 0 DAADMO Cc1cc(N(C)C)[nH+]cc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169977972 776327310 /nfs/dbraw/zinc/32/73/10/776327310.db2.gz XIKXHOYUKQHHHT-DKTYCGPESA-N 1 1 313.354 -1.332 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196561 776328376 /nfs/dbraw/zinc/32/83/76/776328376.db2.gz DYLGCJHKZWXGKQ-OSUNSFLBSA-N 1 1 314.386 -1.228 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001109196559 776328462 /nfs/dbraw/zinc/32/84/62/776328462.db2.gz DYLGCJHKZWXGKQ-KNZXXDILSA-N 1 1 314.386 -1.228 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129385889 776329865 /nfs/dbraw/zinc/32/98/65/776329865.db2.gz TZKHZAAXONRJOB-NEPJUHHUSA-N 1 1 324.385 -1.342 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129385889 776329877 /nfs/dbraw/zinc/32/98/77/776329877.db2.gz TZKHZAAXONRJOB-NEPJUHHUSA-N 1 1 324.385 -1.342 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1COC(=O)N1 ZINC001109218389 776330338 /nfs/dbraw/zinc/33/03/38/776330338.db2.gz HCODRNXPMDCEDS-RHYQMDGZSA-N 1 1 313.354 -1.175 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109235580 776331432 /nfs/dbraw/zinc/33/14/32/776331432.db2.gz SZWHAJRUQUEPSQ-RHYQMDGZSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109235580 776331439 /nfs/dbraw/zinc/33/14/39/776331439.db2.gz SZWHAJRUQUEPSQ-RHYQMDGZSA-N 1 1 323.397 -1.085 20 0 DAADMO COCCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090424134 776331479 /nfs/dbraw/zinc/33/14/79/776331479.db2.gz XCZOWZOASOXCPP-AAEUAGOBSA-N 1 1 312.370 -1.313 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)NC)C2 ZINC001109235539 776331977 /nfs/dbraw/zinc/33/19/77/776331977.db2.gz SXWPRLFTSBOGJF-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)NC)C2 ZINC001109235539 776331989 /nfs/dbraw/zinc/33/19/89/776331989.db2.gz SXWPRLFTSBOGJF-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001109374288 776334196 /nfs/dbraw/zinc/33/41/96/776334196.db2.gz AIIJPBDJJDXZHS-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001109374288 776334208 /nfs/dbraw/zinc/33/42/08/776334208.db2.gz AIIJPBDJJDXZHS-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001156807906 776338108 /nfs/dbraw/zinc/33/81/08/776338108.db2.gz IXYFUDPLVJKDNE-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656271 776340391 /nfs/dbraw/zinc/34/03/91/776340391.db2.gz LVNURXYYYPYUFN-WOPDTQHZSA-N 1 1 312.370 -1.654 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC001109656205 776340653 /nfs/dbraw/zinc/34/06/53/776340653.db2.gz JBGXUNAYURLDSJ-RHYQMDGZSA-N 1 1 315.370 -1.783 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001109659800 776340676 /nfs/dbraw/zinc/34/06/76/776340676.db2.gz GLBASAFUJQDEHW-WYUUTHIRSA-N 1 1 311.382 -1.019 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109881358 776343470 /nfs/dbraw/zinc/34/34/70/776343470.db2.gz OWUDJOZDVMSSPO-AGIUHOORSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109881228 776343718 /nfs/dbraw/zinc/34/37/18/776343718.db2.gz IWFUMZXSESQROL-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109881228 776343727 /nfs/dbraw/zinc/34/37/27/776343727.db2.gz IWFUMZXSESQROL-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC001090429236 776343957 /nfs/dbraw/zinc/34/39/57/776343957.db2.gz BWYACVMBJHKVTD-WDEREUQCSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC001090430128 776344062 /nfs/dbraw/zinc/34/40/62/776344062.db2.gz JJOFSRCVFTVXQN-NEPJUHHUSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC001090429233 776344341 /nfs/dbraw/zinc/34/43/41/776344341.db2.gz BWYACVMBJHKVTD-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109881229 776344434 /nfs/dbraw/zinc/34/44/34/776344434.db2.gz IWFUMZXSESQROL-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109881229 776344442 /nfs/dbraw/zinc/34/44/42/776344442.db2.gz IWFUMZXSESQROL-RHYQMDGZSA-N 1 1 319.369 -1.327 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001086533156 776345260 /nfs/dbraw/zinc/34/52/60/776345260.db2.gz ZMZRNGMEVJQAPK-OPRDCNLKSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001086533156 776345266 /nfs/dbraw/zinc/34/52/66/776345266.db2.gz ZMZRNGMEVJQAPK-OPRDCNLKSA-N 1 1 306.370 -1.121 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100135879 776345688 /nfs/dbraw/zinc/34/56/88/776345688.db2.gz DFIFZSROXNYRJX-CHWSQXEVSA-N 1 1 312.370 -1.557 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001090431786 776345820 /nfs/dbraw/zinc/34/58/20/776345820.db2.gz CUIJRIXKJXQLPS-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO COc1coc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001090431815 776346121 /nfs/dbraw/zinc/34/61/21/776346121.db2.gz CVTUTEPALRNJBM-ONGXEEELSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001090431815 776346130 /nfs/dbraw/zinc/34/61/30/776346130.db2.gz CVTUTEPALRNJBM-ONGXEEELSA-N 1 1 312.322 -1.194 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001090430969 776346269 /nfs/dbraw/zinc/34/62/69/776346269.db2.gz ROCBEPWIZTYAKH-RYUDHWBXSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001110004263 776346288 /nfs/dbraw/zinc/34/62/88/776346288.db2.gz FDKCWJAMZJNVKM-MOLYVOAJSA-N 1 1 311.382 -1.006 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100135880 776347207 /nfs/dbraw/zinc/34/72/07/776347207.db2.gz DFIFZSROXNYRJX-OLZOCXBDSA-N 1 1 312.370 -1.557 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079567 776348439 /nfs/dbraw/zinc/34/84/39/776348439.db2.gz KDLFRPCBBMUCFY-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079567 776348446 /nfs/dbraw/zinc/34/84/46/776348446.db2.gz KDLFRPCBBMUCFY-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110079691 776349195 /nfs/dbraw/zinc/34/91/95/776349195.db2.gz QEEAZGGOSBAILZ-WOPDTQHZSA-N 1 1 314.386 -1.225 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079849 776349586 /nfs/dbraw/zinc/34/95/86/776349586.db2.gz YIICYXAWXHXKFS-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001110079849 776349595 /nfs/dbraw/zinc/34/95/95/776349595.db2.gz YIICYXAWXHXKFS-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090440971 776349786 /nfs/dbraw/zinc/34/97/86/776349786.db2.gz HZFILMMFTOOIEQ-OLZOCXBDSA-N 1 1 319.365 -1.025 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001112606652 776351607 /nfs/dbraw/zinc/35/16/07/776351607.db2.gz HHALLAJOWCYWKR-SNVBAGLBSA-N 1 1 307.358 -1.422 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](CCCO[C@H]2CCOC2)CC1 ZINC001112607394 776352039 /nfs/dbraw/zinc/35/20/39/776352039.db2.gz NKPPYLOFBNPCJC-LBPRGKRZSA-N 1 1 314.386 -1.006 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@H](CNC(=O)CC(N)=O)C2)nc(C)[nH+]1 ZINC001112722477 776364344 /nfs/dbraw/zinc/36/43/44/776364344.db2.gz HWMUCORFOIQRFG-MNOVXSKESA-N 1 1 307.354 -1.118 20 0 DAADMO CC(=O)NCCOCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112734913 776365786 /nfs/dbraw/zinc/36/57/86/776365786.db2.gz PRKCEAFBSFIAHJ-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112732526 776366262 /nfs/dbraw/zinc/36/62/62/776366262.db2.gz PCOGXEIVTLGSFV-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001112854074 776379447 /nfs/dbraw/zinc/37/94/47/776379447.db2.gz VEPWZVLSLKASQV-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112877280 776381532 /nfs/dbraw/zinc/38/15/32/776381532.db2.gz DGSGEFYENXFRTB-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112877282 776381578 /nfs/dbraw/zinc/38/15/78/776381578.db2.gz DGSGEFYENXFRTB-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112917658 776383503 /nfs/dbraw/zinc/38/35/03/776383503.db2.gz PGLJKTWVIUGDKQ-LBPRGKRZSA-N 1 1 317.386 -1.757 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112915006 776384480 /nfs/dbraw/zinc/38/44/80/776384480.db2.gz SHYNTOORYCLFOZ-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112920769 776385906 /nfs/dbraw/zinc/38/59/06/776385906.db2.gz JROTYOAQQMTPAJ-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CNC(=O)NCC(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001112927506 776386177 /nfs/dbraw/zinc/38/61/77/776386177.db2.gz LSMDICBFNBTYNF-LLVKDONJSA-N 1 1 321.385 -1.161 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001112978843 776386813 /nfs/dbraw/zinc/38/68/13/776386813.db2.gz UXQOWGFIQQREQS-XQQFMLRXSA-N 1 1 302.371 -1.058 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113030195 776388055 /nfs/dbraw/zinc/38/80/55/776388055.db2.gz PDAFXRUDRJPOAL-UHFFFAOYSA-N 1 1 300.359 -2.235 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(CCOCCO)CC2)O1 ZINC001113007525 776388842 /nfs/dbraw/zinc/38/88/42/776388842.db2.gz SWSVKFWONIUCHX-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(CCOCCO)CC2)O1 ZINC001113007525 776388852 /nfs/dbraw/zinc/38/88/52/776388852.db2.gz SWSVKFWONIUCHX-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113019057 776388905 /nfs/dbraw/zinc/38/89/05/776388905.db2.gz HTSPTZLSFUVJKM-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100146258 776391575 /nfs/dbraw/zinc/39/15/75/776391575.db2.gz YFOKRMAVDOFNED-RYUDHWBXSA-N 1 1 312.370 -1.108 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1 ZINC001113071487 776392070 /nfs/dbraw/zinc/39/20/70/776392070.db2.gz BEEUPCBCCBLGPQ-LBPRGKRZSA-N 1 1 324.381 -1.111 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100146259 776392436 /nfs/dbraw/zinc/39/24/36/776392436.db2.gz YFOKRMAVDOFNED-VXGBXAGGSA-N 1 1 312.370 -1.108 20 0 DAADMO CCn1nncc1C[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464626 776393172 /nfs/dbraw/zinc/39/31/72/776393172.db2.gz DEBBMJFQILDCQB-UHFFFAOYSA-N 1 1 324.385 -1.431 20 0 DAADMO CCn1nncc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464626 776393180 /nfs/dbraw/zinc/39/31/80/776393180.db2.gz DEBBMJFQILDCQB-UHFFFAOYSA-N 1 1 324.385 -1.431 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC001113156441 776394484 /nfs/dbraw/zinc/39/44/84/776394484.db2.gz FSHQUMXNTCHJKH-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO Cn1cc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)cn1 ZINC001098465016 776395189 /nfs/dbraw/zinc/39/51/89/776395189.db2.gz RHZWKZYFYPVOLA-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465060 776396041 /nfs/dbraw/zinc/39/60/41/776396041.db2.gz VAGVBXODYLTYAO-UHFFFAOYSA-N 1 1 314.386 -1.765 20 0 DAADMO CC[C@@H](C[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1)OC ZINC001113156733 776396106 /nfs/dbraw/zinc/39/61/06/776396106.db2.gz VSZAYIAXRPFJAN-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001113184614 776397046 /nfs/dbraw/zinc/39/70/46/776397046.db2.gz ORZAXUIVLJEGKE-LBPRGKRZSA-N 1 1 314.386 -2.430 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001113193744 776397797 /nfs/dbraw/zinc/39/77/97/776397797.db2.gz PNTPLYYYOZXPOO-OLZOCXBDSA-N 1 1 323.397 -1.100 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)co1 ZINC001090450152 776402268 /nfs/dbraw/zinc/40/22/68/776402268.db2.gz UIVAFSWRYLLZQJ-MNOVXSKESA-N 1 1 311.338 -1.074 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113343725 776403678 /nfs/dbraw/zinc/40/36/78/776403678.db2.gz AKRNFSGBEQMVIY-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]1F ZINC001157536228 776403802 /nfs/dbraw/zinc/40/38/02/776403802.db2.gz JEPQRLYZTLQWKR-AXFHLTTASA-N 1 1 319.402 -1.092 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ncccn2)C[C@H]1O ZINC001090450673 776403843 /nfs/dbraw/zinc/40/38/43/776403843.db2.gz ZPBHOFFYMJURNI-CHWSQXEVSA-N 1 1 321.381 -1.135 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001113405912 776405374 /nfs/dbraw/zinc/40/53/74/776405374.db2.gz JBHUZALJSLJUPG-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](CCCO)CC1)C(N)=O ZINC001113407426 776405716 /nfs/dbraw/zinc/40/57/16/776405716.db2.gz TUAYXWLPPRBPGC-NSHDSACASA-N 1 1 300.359 -2.107 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545506 776405799 /nfs/dbraw/zinc/40/57/99/776405799.db2.gz UYAKWWWOHBJYSZ-UTLUCORTSA-N 1 1 304.366 -1.247 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CC[NH+](CCCO)CC1 ZINC001113415113 776406202 /nfs/dbraw/zinc/40/62/02/776406202.db2.gz KFRFDHPELBEZEL-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113435418 776408104 /nfs/dbraw/zinc/40/81/04/776408104.db2.gz HCJPGQJQRPQZCW-CMPLNLGQSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@@H](CCC(N)=O)NC(C)=O)CC1 ZINC001113434643 776408795 /nfs/dbraw/zinc/40/87/95/776408795.db2.gz UAGGBHDJWBRQTI-GFCCVEGCSA-N 1 1 314.386 -1.453 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113435421 776408956 /nfs/dbraw/zinc/40/89/56/776408956.db2.gz HCJPGQJQRPQZCW-ZYHUDNBSSA-N 1 1 314.386 -1.718 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113482855 776410080 /nfs/dbraw/zinc/41/00/80/776410080.db2.gz FNKUOTOKSZNUKJ-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1csnn1 ZINC001090452707 776412647 /nfs/dbraw/zinc/41/26/47/776412647.db2.gz OQINKVAYOYQSGP-ONGXEEELSA-N 1 1 323.382 -1.005 20 0 DAADMO NC(=O)NCCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001113617274 776415332 /nfs/dbraw/zinc/41/53/32/776415332.db2.gz HFOFIGLPWSEDPS-LBPRGKRZSA-N 1 1 324.385 -1.553 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115017573 776415556 /nfs/dbraw/zinc/41/55/56/776415556.db2.gz AYDJAYHJOQFGJQ-YABSGUDNSA-N 1 1 319.369 -1.612 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001115017573 776415559 /nfs/dbraw/zinc/41/55/59/776415559.db2.gz AYDJAYHJOQFGJQ-YABSGUDNSA-N 1 1 319.369 -1.612 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001113642754 776416272 /nfs/dbraw/zinc/41/62/72/776416272.db2.gz IKIVTLWNYFNOKQ-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018072 776417327 /nfs/dbraw/zinc/41/73/27/776417327.db2.gz LQYBCQPALGEMFN-MIZYBKAJSA-N 1 1 307.358 -1.627 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001113637155 776417345 /nfs/dbraw/zinc/41/73/45/776417345.db2.gz MVVSOWLHWAHTKZ-QWRGUYRKSA-N 1 1 321.399 -2.170 20 0 DAADMO COCCC[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001113637555 776417529 /nfs/dbraw/zinc/41/75/29/776417529.db2.gz UDMPTCSUDOHZPH-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[NH+](CCCO)CC1 ZINC001113674706 776417943 /nfs/dbraw/zinc/41/79/43/776417943.db2.gz GODWDVNHSMIUCB-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001113637156 776418217 /nfs/dbraw/zinc/41/82/17/776418217.db2.gz MVVSOWLHWAHTKZ-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21 ZINC001113756629 776421467 /nfs/dbraw/zinc/42/14/67/776421467.db2.gz BKUUXGMLRDHCLZ-YABSGUDNSA-N 1 1 322.365 -1.723 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113765031 776421600 /nfs/dbraw/zinc/42/16/00/776421600.db2.gz QAGQOUWEVXOIQJ-MSRIBSCDSA-N 1 1 310.354 -2.362 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113765031 776421605 /nfs/dbraw/zinc/42/16/05/776421605.db2.gz QAGQOUWEVXOIQJ-MSRIBSCDSA-N 1 1 310.354 -2.362 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC001113752905 776421962 /nfs/dbraw/zinc/42/19/62/776421962.db2.gz QNUKZJNRNFLXTB-MVVXRAEJSA-N 1 1 312.370 -1.087 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(C)=O ZINC001113752905 776421967 /nfs/dbraw/zinc/42/19/67/776421967.db2.gz QNUKZJNRNFLXTB-MVVXRAEJSA-N 1 1 312.370 -1.087 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001113743336 776422314 /nfs/dbraw/zinc/42/23/14/776422314.db2.gz HODMNGGTVNQYPR-MNOVXSKESA-N 1 1 313.354 -1.809 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001113766243 776422986 /nfs/dbraw/zinc/42/29/86/776422986.db2.gz ACNTVADCOLUISF-FJJYHAOUSA-N 1 1 311.382 -1.074 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001113766243 776422992 /nfs/dbraw/zinc/42/29/92/776422992.db2.gz ACNTVADCOLUISF-FJJYHAOUSA-N 1 1 311.382 -1.074 20 0 DAADMO CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113785688 776423044 /nfs/dbraw/zinc/42/30/44/776423044.db2.gz YNTZJSBGCRWIJR-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113785688 776423052 /nfs/dbraw/zinc/42/30/52/776423052.db2.gz YNTZJSBGCRWIJR-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001113793325 776423069 /nfs/dbraw/zinc/42/30/69/776423069.db2.gz IYVBJIMDEAAJNP-HDRXNWCYSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001113793326 776423218 /nfs/dbraw/zinc/42/32/18/776423218.db2.gz IYVBJIMDEAAJNP-XFOOOJQKSA-N 1 1 308.382 -1.164 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC001113775807 776423331 /nfs/dbraw/zinc/42/33/31/776423331.db2.gz ZNJGZQKRPYWTNQ-IAZYJMLFSA-N 1 1 303.322 -1.064 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC001113775807 776423339 /nfs/dbraw/zinc/42/33/39/776423339.db2.gz ZNJGZQKRPYWTNQ-IAZYJMLFSA-N 1 1 303.322 -1.064 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791302 776423881 /nfs/dbraw/zinc/42/38/81/776423881.db2.gz RHHQMCZXHMGVGR-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113791302 776423888 /nfs/dbraw/zinc/42/38/88/776423888.db2.gz RHHQMCZXHMGVGR-REIXXSIJSA-N 1 1 318.337 -1.280 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113794097 776423926 /nfs/dbraw/zinc/42/39/26/776423926.db2.gz WYECGNBDBROCTF-IAZYJMLFSA-N 1 1 318.399 -2.282 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113794097 776423929 /nfs/dbraw/zinc/42/39/29/776423929.db2.gz WYECGNBDBROCTF-IAZYJMLFSA-N 1 1 318.399 -2.282 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113787772 776423938 /nfs/dbraw/zinc/42/39/38/776423938.db2.gz SHFOWGZMGYZQFY-IMRBUKKESA-N 1 1 306.370 -1.020 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113787772 776423941 /nfs/dbraw/zinc/42/39/41/776423941.db2.gz SHFOWGZMGYZQFY-IMRBUKKESA-N 1 1 306.370 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113787429 776423950 /nfs/dbraw/zinc/42/39/50/776423950.db2.gz MLPHCZRUSVKBRD-GDGBQDQQSA-N 1 1 311.342 -2.376 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113787429 776423954 /nfs/dbraw/zinc/42/39/54/776423954.db2.gz MLPHCZRUSVKBRD-GDGBQDQQSA-N 1 1 311.342 -2.376 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001113810450 776424752 /nfs/dbraw/zinc/42/47/52/776424752.db2.gz ZZFWTCKLHDWFHX-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001113810450 776424760 /nfs/dbraw/zinc/42/47/60/776424760.db2.gz ZZFWTCKLHDWFHX-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001113815856 776424856 /nfs/dbraw/zinc/42/48/56/776424856.db2.gz ISTDTMOGOBTZQG-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001113815856 776424861 /nfs/dbraw/zinc/42/48/61/776424861.db2.gz ISTDTMOGOBTZQG-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 ZINC001113806131 776425360 /nfs/dbraw/zinc/42/53/60/776425360.db2.gz KXPMIKKKJXLYFQ-IAZYJMLFSA-N 1 1 319.321 -1.825 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 ZINC001113806131 776425363 /nfs/dbraw/zinc/42/53/63/776425363.db2.gz KXPMIKKKJXLYFQ-IAZYJMLFSA-N 1 1 319.321 -1.825 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001113825427 776425961 /nfs/dbraw/zinc/42/59/61/776425961.db2.gz MWPHKNLLHWWDMK-XEZLXBQYSA-N 1 1 323.397 -1.417 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113823319 776426364 /nfs/dbraw/zinc/42/63/64/776426364.db2.gz SNMOFLOJLIFXJP-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001113823319 776426369 /nfs/dbraw/zinc/42/63/69/776426369.db2.gz SNMOFLOJLIFXJP-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833340 776428780 /nfs/dbraw/zinc/42/87/80/776428780.db2.gz BMRRGTNDLMSCIC-IWIIMEHWSA-N 1 1 307.358 -1.802 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834629 776429128 /nfs/dbraw/zinc/42/91/28/776429128.db2.gz YFKYRAHEAFPLEW-IWIIMEHWSA-N 1 1 307.358 -1.756 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834629 776429133 /nfs/dbraw/zinc/42/91/33/776429133.db2.gz YFKYRAHEAFPLEW-IWIIMEHWSA-N 1 1 307.358 -1.756 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833927 776429344 /nfs/dbraw/zinc/42/93/44/776429344.db2.gz MKFNJZORSNRTMG-MTBHXBHISA-N 1 1 308.302 -3.086 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833927 776429352 /nfs/dbraw/zinc/42/93/52/776429352.db2.gz MKFNJZORSNRTMG-MTBHXBHISA-N 1 1 308.302 -3.086 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841262 776430447 /nfs/dbraw/zinc/43/04/47/776430447.db2.gz BJUXMQOLSHOKJT-JAKMQLQISA-N 1 1 312.330 -2.716 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841262 776430453 /nfs/dbraw/zinc/43/04/53/776430453.db2.gz BJUXMQOLSHOKJT-JAKMQLQISA-N 1 1 312.330 -2.716 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113842022 776430718 /nfs/dbraw/zinc/43/07/18/776430718.db2.gz LLBFHPMYFMNTCO-IWIIMEHWSA-N 1 1 309.370 -1.678 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841706 776430738 /nfs/dbraw/zinc/43/07/38/776430738.db2.gz GOIIHCQVSLSEMB-BXSSEVMYSA-N 1 1 309.370 -1.632 20 0 DAADMO Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cn1 ZINC001113842764 776431322 /nfs/dbraw/zinc/43/13/22/776431322.db2.gz ZCVADILXTJJDOL-PJXYFTJBSA-N 1 1 304.354 -1.000 20 0 DAADMO Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cn1 ZINC001113842764 776431325 /nfs/dbraw/zinc/43/13/25/776431325.db2.gz ZCVADILXTJJDOL-PJXYFTJBSA-N 1 1 304.354 -1.000 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113851409 776431702 /nfs/dbraw/zinc/43/17/02/776431702.db2.gz CAELMBORSIYURS-KLBPJQLPSA-N 1 1 309.370 -1.678 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113851411 776431714 /nfs/dbraw/zinc/43/17/14/776431714.db2.gz CAELMBORSIYURS-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001113851350 776431762 /nfs/dbraw/zinc/43/17/62/776431762.db2.gz BQUPRDYJMDYZOE-IAZYJMLFSA-N 1 1 309.370 -1.773 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001113851365 776431776 /nfs/dbraw/zinc/43/17/76/776431776.db2.gz BTPIZAQUUBJRBS-DNJQJEMRSA-N 1 1 319.369 -1.520 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001113842633 776431794 /nfs/dbraw/zinc/43/17/94/776431794.db2.gz WTBCNSJSEXKJEY-IWIIMEHWSA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113849507 776432655 /nfs/dbraw/zinc/43/26/55/776432655.db2.gz LBRUAMZIMZLOHH-MCHASIABSA-N 1 1 309.326 -2.494 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850602 776433784 /nfs/dbraw/zinc/43/37/84/776433784.db2.gz VOQFGXUHDIYERB-GDGBQDQQSA-N 1 1 311.386 -1.384 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850602 776433786 /nfs/dbraw/zinc/43/37/86/776433786.db2.gz VOQFGXUHDIYERB-GDGBQDQQSA-N 1 1 311.386 -1.384 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113885457 776434257 /nfs/dbraw/zinc/43/42/57/776434257.db2.gz HOLYQCIEMINDRD-LOKLDPHHSA-N 1 1 312.326 -2.357 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113885457 776434261 /nfs/dbraw/zinc/43/42/61/776434261.db2.gz HOLYQCIEMINDRD-LOKLDPHHSA-N 1 1 312.326 -2.357 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113871620 776434318 /nfs/dbraw/zinc/43/43/18/776434318.db2.gz YMSOJJVFCTYCIO-CZXHOFHRSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)C1CC1 ZINC001113885753 776434456 /nfs/dbraw/zinc/43/44/56/776434456.db2.gz MDSNTEXWMUARDM-RQJABVFESA-N 1 1 323.393 -1.026 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113903016 776435653 /nfs/dbraw/zinc/43/56/53/776435653.db2.gz ZHOUACQYQHNVSD-WUWHUORYSA-N 1 1 310.398 -1.012 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113899720 776435946 /nfs/dbraw/zinc/43/59/46/776435946.db2.gz SJAKIUNSWRHBKL-JYAVWHMHSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113899720 776435951 /nfs/dbraw/zinc/43/59/51/776435951.db2.gz SJAKIUNSWRHBKL-JYAVWHMHSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113894681 776435975 /nfs/dbraw/zinc/43/59/75/776435975.db2.gz WSJLANWAPBCSLE-ODXREFDESA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113894681 776435980 /nfs/dbraw/zinc/43/59/80/776435980.db2.gz WSJLANWAPBCSLE-ODXREFDESA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)n1cccn1 ZINC001113893198 776436044 /nfs/dbraw/zinc/43/60/44/776436044.db2.gz JYQPDKIOWUGQES-SVDPJWKOSA-N 1 1 320.353 -1.315 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)n1cccn1 ZINC001113893198 776436050 /nfs/dbraw/zinc/43/60/50/776436050.db2.gz JYQPDKIOWUGQES-SVDPJWKOSA-N 1 1 320.353 -1.315 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113916518 776436487 /nfs/dbraw/zinc/43/64/87/776436487.db2.gz OXUZJQZMFVTFNG-BEYHFKMWSA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113916518 776436490 /nfs/dbraw/zinc/43/64/90/776436490.db2.gz OXUZJQZMFVTFNG-BEYHFKMWSA-N 1 1 306.326 -1.347 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)NCC1CC1 ZINC001113913902 776436604 /nfs/dbraw/zinc/43/66/04/776436604.db2.gz UATBYKMVNADOJH-COMQUAJESA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)NCC1CC1 ZINC001113913902 776436610 /nfs/dbraw/zinc/43/66/10/776436610.db2.gz UATBYKMVNADOJH-COMQUAJESA-N 1 1 323.393 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001113912833 776437062 /nfs/dbraw/zinc/43/70/62/776437062.db2.gz BZOBWESULHJSRF-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937671 776437545 /nfs/dbraw/zinc/43/75/45/776437545.db2.gz JRKNPTMFCKBUBK-IMRBUKKESA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937671 776437551 /nfs/dbraw/zinc/43/75/51/776437551.db2.gz JRKNPTMFCKBUBK-IMRBUKKESA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001113939518 776437581 /nfs/dbraw/zinc/43/75/81/776437581.db2.gz ANEMQBRVHBEKOC-IMRBUKKESA-N 1 1 318.381 -1.149 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113919956 776437793 /nfs/dbraw/zinc/43/77/93/776437793.db2.gz OUXSDIFGUBHRJE-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001113919956 776437804 /nfs/dbraw/zinc/43/78/04/776437804.db2.gz OUXSDIFGUBHRJE-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001113948862 776439739 /nfs/dbraw/zinc/43/97/39/776439739.db2.gz ZPQOBVBKSDZTPM-IAZYJMLFSA-N 1 1 308.342 -1.320 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001113968198 776440010 /nfs/dbraw/zinc/44/00/10/776440010.db2.gz FVIKJWPBIOPASC-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113983646 776441098 /nfs/dbraw/zinc/44/10/98/776441098.db2.gz ZHYCCDKARKWYBG-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113983646 776441105 /nfs/dbraw/zinc/44/11/05/776441105.db2.gz ZHYCCDKARKWYBG-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001113962565 776441210 /nfs/dbraw/zinc/44/12/10/776441210.db2.gz JTKMISPOAGBWHB-NNYUYHANSA-N 1 1 319.427 -1.041 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC(C)C ZINC001113987916 776441864 /nfs/dbraw/zinc/44/18/64/776441864.db2.gz MXFSURAGQOOBNZ-IWIIMEHWSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC(C)C ZINC001113987916 776441869 /nfs/dbraw/zinc/44/18/69/776441869.db2.gz MXFSURAGQOOBNZ-IWIIMEHWSA-N 1 1 312.370 -1.087 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC001114001707 776442098 /nfs/dbraw/zinc/44/20/98/776442098.db2.gz HCBLHJWOIBNMGA-UXCLJVHYSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC001114001707 776442103 /nfs/dbraw/zinc/44/21/03/776442103.db2.gz HCBLHJWOIBNMGA-UXCLJVHYSA-N 1 1 310.354 -1.346 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)OC ZINC001114022630 776442368 /nfs/dbraw/zinc/44/23/68/776442368.db2.gz VPQANFWWBZKKCY-QISWUMQESA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)OC ZINC001114022630 776442371 /nfs/dbraw/zinc/44/23/71/776442371.db2.gz VPQANFWWBZKKCY-QISWUMQESA-N 1 1 312.370 -1.087 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114042284 776442994 /nfs/dbraw/zinc/44/29/94/776442994.db2.gz ZEPVPQCLHWBJLP-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)COC ZINC001114037995 776443130 /nfs/dbraw/zinc/44/31/30/776443130.db2.gz LDJHKQVDBMEDKI-SVDPJWKOSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)COC ZINC001114037995 776443137 /nfs/dbraw/zinc/44/31/37/776443137.db2.gz LDJHKQVDBMEDKI-SVDPJWKOSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC001114037344 776443470 /nfs/dbraw/zinc/44/34/70/776443470.db2.gz BIXIPTAJCMNMPI-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC001114037344 776443475 /nfs/dbraw/zinc/44/34/75/776443475.db2.gz BIXIPTAJCMNMPI-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)COC ZINC001114037996 776443536 /nfs/dbraw/zinc/44/35/36/776443536.db2.gz LDJHKQVDBMEDKI-UXCLJVHYSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)COC ZINC001114037996 776443540 /nfs/dbraw/zinc/44/35/40/776443540.db2.gz LDJHKQVDBMEDKI-UXCLJVHYSA-N 1 1 312.370 -1.229 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NCC1CC1 ZINC001114034876 776443553 /nfs/dbraw/zinc/44/35/53/776443553.db2.gz NJGOHMPHGOUGIP-ZAZJYDDPSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)NCC1CC1 ZINC001114034876 776443555 /nfs/dbraw/zinc/44/35/55/776443555.db2.gz NJGOHMPHGOUGIP-ZAZJYDDPSA-N 1 1 320.393 -1.162 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114054292 776444390 /nfs/dbraw/zinc/44/43/90/776444390.db2.gz MUKIEDQBFHFKGL-IAZYJMLFSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114054292 776444398 /nfs/dbraw/zinc/44/43/98/776444398.db2.gz MUKIEDQBFHFKGL-IAZYJMLFSA-N 1 1 320.353 -1.417 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114057709 776444867 /nfs/dbraw/zinc/44/48/67/776444867.db2.gz NUVSSRXBBONWCO-QMSLJYSESA-N 1 1 319.325 -2.086 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114057709 776444871 /nfs/dbraw/zinc/44/48/71/776444871.db2.gz NUVSSRXBBONWCO-QMSLJYSESA-N 1 1 319.325 -2.086 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114072769 776445789 /nfs/dbraw/zinc/44/57/89/776445789.db2.gz YIUBLMDWENSUME-IMRBUKKESA-N 1 1 302.371 -1.295 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1C ZINC001114060412 776445913 /nfs/dbraw/zinc/44/59/13/776445913.db2.gz KVDBMXXBHWALBD-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1C ZINC001114060412 776445919 /nfs/dbraw/zinc/44/59/19/776445919.db2.gz KVDBMXXBHWALBD-GDGBQDQQSA-N 1 1 320.353 -1.119 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114062045 776446195 /nfs/dbraw/zinc/44/61/95/776446195.db2.gz YJMMYRKSDJGRNJ-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC001114090885 776447053 /nfs/dbraw/zinc/44/70/53/776447053.db2.gz LTHPQAFEBSLYLW-MEWQQHAOSA-N 1 1 309.370 -1.209 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114090400 776447242 /nfs/dbraw/zinc/44/72/42/776447242.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114090400 776447244 /nfs/dbraw/zinc/44/72/44/776447244.db2.gz DCGBTBKXPAQXER-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114090402 776447313 /nfs/dbraw/zinc/44/73/13/776447313.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114090402 776447314 /nfs/dbraw/zinc/44/73/14/776447314.db2.gz DCGBTBKXPAQXER-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC001114088220 776447903 /nfs/dbraw/zinc/44/79/03/776447903.db2.gz KOORSJVIVZGCNE-KZWBYHQPSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC001114088220 776447907 /nfs/dbraw/zinc/44/79/07/776447907.db2.gz KOORSJVIVZGCNE-KZWBYHQPSA-N 1 1 324.381 -1.085 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114098908 776447926 /nfs/dbraw/zinc/44/79/26/776447926.db2.gz NEPUSSLHRAKSFH-JDICNCQASA-N 1 1 309.326 -2.540 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114094224 776450303 /nfs/dbraw/zinc/45/03/03/776450303.db2.gz ZACYLKBFPLVXDU-HBYGRHMLSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114094224 776450306 /nfs/dbraw/zinc/45/03/06/776450306.db2.gz ZACYLKBFPLVXDU-HBYGRHMLSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001114131212 776450476 /nfs/dbraw/zinc/45/04/76/776450476.db2.gz YKJVTQCEWORJOW-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001114131212 776450479 /nfs/dbraw/zinc/45/04/79/776450479.db2.gz YKJVTQCEWORJOW-XBWDGYHZSA-N 1 1 323.353 -2.246 20 0 DAADMO CN(CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)S(C)(=O)=O ZINC001114096253 776450635 /nfs/dbraw/zinc/45/06/35/776450635.db2.gz WIJNZUJDWAVIFP-GDGBQDQQSA-N 1 1 318.399 -2.200 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120708 776450697 /nfs/dbraw/zinc/45/06/97/776450697.db2.gz WLFPMWLHIMWLRU-MSRIBSCDSA-N 1 1 306.370 -1.128 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114147306 776451519 /nfs/dbraw/zinc/45/15/19/776451519.db2.gz VGKIMUHXMKDODW-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001114147306 776451523 /nfs/dbraw/zinc/45/15/23/776451523.db2.gz VGKIMUHXMKDODW-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114147096 776451539 /nfs/dbraw/zinc/45/15/39/776451539.db2.gz PORXYWANJRJXNT-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114147096 776451543 /nfs/dbraw/zinc/45/15/43/776451543.db2.gz PORXYWANJRJXNT-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114147078 776451685 /nfs/dbraw/zinc/45/16/85/776451685.db2.gz PGSHOPIVKGFYIO-COMQUAJESA-N 1 1 324.425 -1.112 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114147078 776451688 /nfs/dbraw/zinc/45/16/88/776451688.db2.gz PGSHOPIVKGFYIO-COMQUAJESA-N 1 1 324.425 -1.112 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090475689 776452030 /nfs/dbraw/zinc/45/20/30/776452030.db2.gz JZHIFCSECJPWMV-NEPJUHHUSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090475689 776452034 /nfs/dbraw/zinc/45/20/34/776452034.db2.gz JZHIFCSECJPWMV-NEPJUHHUSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114154120 776452747 /nfs/dbraw/zinc/45/27/47/776452747.db2.gz UJXKDGHHHLEEQL-IAZYJMLFSA-N 1 1 311.342 -1.961 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114152972 776452803 /nfs/dbraw/zinc/45/28/03/776452803.db2.gz HLNNRBXBJYPKJI-SVDPJWKOSA-N 1 1 311.342 -1.963 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114154437 776453090 /nfs/dbraw/zinc/45/30/90/776453090.db2.gz XMJQYUNIUKDRNK-IWIIMEHWSA-N 1 1 322.369 -1.444 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114154437 776453100 /nfs/dbraw/zinc/45/31/00/776453100.db2.gz XMJQYUNIUKDRNK-IWIIMEHWSA-N 1 1 322.369 -1.444 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114154093 776453260 /nfs/dbraw/zinc/45/32/60/776453260.db2.gz UARYEBASJNQMIA-IWIIMEHWSA-N 1 1 322.369 -1.492 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114148665 776453400 /nfs/dbraw/zinc/45/34/00/776453400.db2.gz JYZOUJFEVYWCMO-MHOHDPQLSA-N 1 1 324.381 -1.221 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114148665 776453406 /nfs/dbraw/zinc/45/34/06/776453406.db2.gz JYZOUJFEVYWCMO-MHOHDPQLSA-N 1 1 324.381 -1.221 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114152974 776453489 /nfs/dbraw/zinc/45/34/89/776453489.db2.gz HLNNRBXBJYPKJI-UXCLJVHYSA-N 1 1 311.342 -1.963 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114157404 776454320 /nfs/dbraw/zinc/45/43/20/776454320.db2.gz DWLYNJHVEFCRSQ-IAZYJMLFSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114157404 776454326 /nfs/dbraw/zinc/45/43/26/776454326.db2.gz DWLYNJHVEFCRSQ-IAZYJMLFSA-N 1 1 318.337 -1.408 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1N ZINC001114157826 776454343 /nfs/dbraw/zinc/45/43/43/776454343.db2.gz LNNCSXROBNEWDX-MBTKJCJQSA-N 1 1 321.341 -2.143 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1N ZINC001114157826 776454352 /nfs/dbraw/zinc/45/43/52/776454352.db2.gz LNNCSXROBNEWDX-MBTKJCJQSA-N 1 1 321.341 -2.143 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114170740 776455244 /nfs/dbraw/zinc/45/52/44/776455244.db2.gz WJXDOSSKKYYSKA-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114170612 776455530 /nfs/dbraw/zinc/45/55/30/776455530.db2.gz UANJHLCJLCCXOH-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114168146 776456389 /nfs/dbraw/zinc/45/63/89/776456389.db2.gz NBTUDLFLBFYPED-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114168146 776456392 /nfs/dbraw/zinc/45/63/92/776456392.db2.gz NBTUDLFLBFYPED-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114176116 776456811 /nfs/dbraw/zinc/45/68/11/776456811.db2.gz QAOVHISEEMIHEA-QAHWYCSRSA-N 1 1 309.370 -1.632 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114176116 776456817 /nfs/dbraw/zinc/45/68/17/776456817.db2.gz QAOVHISEEMIHEA-QAHWYCSRSA-N 1 1 309.370 -1.632 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cc1=O ZINC001114176739 776457358 /nfs/dbraw/zinc/45/73/58/776457358.db2.gz XGMHVSVWDCZEDH-IIDWOEFGSA-N 1 1 323.309 -2.167 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cc1=O ZINC001114176739 776457361 /nfs/dbraw/zinc/45/73/61/776457361.db2.gz XGMHVSVWDCZEDH-IIDWOEFGSA-N 1 1 323.309 -2.167 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001114178241 776457485 /nfs/dbraw/zinc/45/74/85/776457485.db2.gz KUXAMUHAUQBCLE-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC001114176975 776457501 /nfs/dbraw/zinc/45/75/01/776457501.db2.gz ZYHJTAHTECVVAT-WOFXILAISA-N 1 1 308.338 -1.226 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC001114176975 776457504 /nfs/dbraw/zinc/45/75/04/776457504.db2.gz ZYHJTAHTECVVAT-WOFXILAISA-N 1 1 308.338 -1.226 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114176224 776457684 /nfs/dbraw/zinc/45/76/84/776457684.db2.gz SFNMERZCCGQOMF-UXCLJVHYSA-N 1 1 311.386 -1.384 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114176224 776457689 /nfs/dbraw/zinc/45/76/89/776457689.db2.gz SFNMERZCCGQOMF-UXCLJVHYSA-N 1 1 311.386 -1.384 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114172418 776458376 /nfs/dbraw/zinc/45/83/76/776458376.db2.gz ULESJUAMRDGXLA-UUIJZJDISA-N 1 1 313.398 -1.044 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114180549 776458471 /nfs/dbraw/zinc/45/84/71/776458471.db2.gz MRLMNTNRZVSRBZ-QRIDJOKKSA-N 1 1 308.338 -2.026 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001114180158 776458548 /nfs/dbraw/zinc/45/85/48/776458548.db2.gz FPYHEEVSKCWRKA-KIGUWFBYSA-N 1 1 318.381 -1.052 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114182539 776459604 /nfs/dbraw/zinc/45/96/04/776459604.db2.gz NYKVKUNHCVVZPL-NNYUYHANSA-N 1 1 314.386 -1.247 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114202045 776460375 /nfs/dbraw/zinc/46/03/75/776460375.db2.gz ZDBGFHLOMVCOJA-IWIIMEHWSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114186019 776460976 /nfs/dbraw/zinc/46/09/76/776460976.db2.gz DMUIKVULOLMOTO-XZUYRWCXSA-N 1 1 304.354 -1.397 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114200935 776461085 /nfs/dbraw/zinc/46/10/85/776461085.db2.gz GVFUIXMJFSTCEC-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114200935 776461087 /nfs/dbraw/zinc/46/10/87/776461087.db2.gz GVFUIXMJFSTCEC-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204151 776461629 /nfs/dbraw/zinc/46/16/29/776461629.db2.gz OFKAUSOQNFFEFW-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204151 776461631 /nfs/dbraw/zinc/46/16/31/776461631.db2.gz OFKAUSOQNFFEFW-KLBPJQLPSA-N 1 1 310.354 -1.333 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 ZINC001114205938 776461863 /nfs/dbraw/zinc/46/18/63/776461863.db2.gz BBBUWZRGEPUVHG-WOFXILAISA-N 1 1 320.353 -1.416 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 ZINC001114205938 776461871 /nfs/dbraw/zinc/46/18/71/776461871.db2.gz BBBUWZRGEPUVHG-WOFXILAISA-N 1 1 320.353 -1.416 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204021 776461980 /nfs/dbraw/zinc/46/19/80/776461980.db2.gz MWTRFPVRANJFRW-WHOHXGKFSA-N 1 1 313.354 -1.196 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)n1 ZINC001114219859 776462149 /nfs/dbraw/zinc/46/21/49/776462149.db2.gz ILUANEWNGFDEDR-MEWQQHAOSA-N 1 1 309.370 -1.035 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)o1 ZINC001114216657 776462541 /nfs/dbraw/zinc/46/25/41/776462541.db2.gz AJTXYXBNUASJRX-JDICNCQASA-N 1 1 322.325 -1.838 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)o1 ZINC001114216657 776462548 /nfs/dbraw/zinc/46/25/48/776462548.db2.gz AJTXYXBNUASJRX-JDICNCQASA-N 1 1 322.325 -1.838 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114217617 776463421 /nfs/dbraw/zinc/46/34/21/776463421.db2.gz SLIHTXBGOGTBFH-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)nn1 ZINC001114217617 776463428 /nfs/dbraw/zinc/46/34/28/776463428.db2.gz SLIHTXBGOGTBFH-QHOPCYEYSA-N 1 1 321.341 -1.942 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114223929 776463692 /nfs/dbraw/zinc/46/36/92/776463692.db2.gz MXCSURNQEWDERM-JZYVYDRUSA-N 1 1 320.353 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114223929 776463695 /nfs/dbraw/zinc/46/36/95/776463695.db2.gz MXCSURNQEWDERM-JZYVYDRUSA-N 1 1 320.353 -1.085 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114224257 776464546 /nfs/dbraw/zinc/46/45/46/776464546.db2.gz SVICGDAYHBAUFV-RBXMUDONSA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114224257 776464551 /nfs/dbraw/zinc/46/45/51/776464551.db2.gz SVICGDAYHBAUFV-RBXMUDONSA-N 1 1 321.341 -1.942 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114225793 776464569 /nfs/dbraw/zinc/46/45/69/776464569.db2.gz ARZFLHKYZOICOX-PJXYFTJBSA-N 1 1 321.385 -1.356 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114226255 776464735 /nfs/dbraw/zinc/46/47/35/776464735.db2.gz JETODUGXQCVVNM-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114247098 776465977 /nfs/dbraw/zinc/46/59/77/776465977.db2.gz DXZWPEDNVHFJCP-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114247098 776465979 /nfs/dbraw/zinc/46/59/79/776465979.db2.gz DXZWPEDNVHFJCP-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21)NC(N)=O ZINC001114278603 776467677 /nfs/dbraw/zinc/46/76/77/776467677.db2.gz UJMCCGACRBGZJG-MVVXRAEJSA-N 1 1 321.385 -1.192 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21)NC(N)=O ZINC001114278603 776467683 /nfs/dbraw/zinc/46/76/83/776467683.db2.gz UJMCCGACRBGZJG-MVVXRAEJSA-N 1 1 321.385 -1.192 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)NC(N)=O ZINC001114278134 776467736 /nfs/dbraw/zinc/46/77/36/776467736.db2.gz MPVIVMFUWIABLN-DNJQJEMRSA-N 1 1 311.386 -1.432 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001114277764 776467931 /nfs/dbraw/zinc/46/79/31/776467931.db2.gz HTMBTFGWFLWPHG-UUIJZJDISA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21)NC(N)=O ZINC001114278601 776468144 /nfs/dbraw/zinc/46/81/44/776468144.db2.gz UJMCCGACRBGZJG-GOONRYMUSA-N 1 1 321.385 -1.192 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21)NC(N)=O ZINC001114278601 776468151 /nfs/dbraw/zinc/46/81/51/776468151.db2.gz UJMCCGACRBGZJG-GOONRYMUSA-N 1 1 321.385 -1.192 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114286893 776468377 /nfs/dbraw/zinc/46/83/77/776468377.db2.gz ASUUJWXOXMRMPK-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114286893 776468381 /nfs/dbraw/zinc/46/83/81/776468381.db2.gz ASUUJWXOXMRMPK-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21)NC(N)=O ZINC001114277371 776468388 /nfs/dbraw/zinc/46/83/88/776468388.db2.gz AOENJAHAJGWIMM-GJTWSCIVSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21)NC(N)=O ZINC001114277371 776468393 /nfs/dbraw/zinc/46/83/93/776468393.db2.gz AOENJAHAJGWIMM-GJTWSCIVSA-N 1 1 323.397 -1.242 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114290835 776469675 /nfs/dbraw/zinc/46/96/75/776469675.db2.gz OEXCDQNAZYWLOC-YABSGUDNSA-N 1 1 321.381 -1.053 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114290835 776469676 /nfs/dbraw/zinc/46/96/76/776469676.db2.gz OEXCDQNAZYWLOC-YABSGUDNSA-N 1 1 321.381 -1.053 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090477357 776470922 /nfs/dbraw/zinc/47/09/22/776470922.db2.gz VKLLZLREEMDVTH-NXEZZACHSA-N 1 1 320.357 -1.121 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CN2CCOCC2=O)n1 ZINC001129573869 776473449 /nfs/dbraw/zinc/47/34/49/776473449.db2.gz KNMCWTFPCOQSMX-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCOCC2=O)[nH]1 ZINC001129573939 776473783 /nfs/dbraw/zinc/47/37/83/776473783.db2.gz MJGNJNLGHIQRKY-SECBINFHSA-N 1 1 310.358 -1.261 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCOCC2=O)[nH]1 ZINC001129573940 776474006 /nfs/dbraw/zinc/47/40/06/776474006.db2.gz MJGNJNLGHIQRKY-VIFPVBQESA-N 1 1 310.358 -1.261 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CN2CCOCC2=O)on1 ZINC001129573611 776474076 /nfs/dbraw/zinc/47/40/76/776474076.db2.gz FSAJJCZPUQABQZ-UHFFFAOYSA-N 1 1 312.326 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129573321 776474136 /nfs/dbraw/zinc/47/41/36/776474136.db2.gz BASNOMGUVQMFPE-UHFFFAOYSA-N 1 1 302.302 -1.604 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2CCOCC2=O)nc1 ZINC001129569237 776474245 /nfs/dbraw/zinc/47/42/45/776474245.db2.gz HRUDMFOGTHEVMI-UHFFFAOYSA-N 1 1 307.354 -1.150 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cnc2n[nH]nc2c1)c1nnnn1C ZINC001129577739 776475718 /nfs/dbraw/zinc/47/57/18/776475718.db2.gz BLASJSKOXMDDSR-ZETCQYMHSA-N 1 1 316.329 -1.043 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)nn1C ZINC001129743682 776479889 /nfs/dbraw/zinc/47/98/89/776479889.db2.gz TUQGEOWIISRAKD-JTQLQIEISA-N 1 1 308.342 -1.468 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001129749650 776480487 /nfs/dbraw/zinc/48/04/87/776480487.db2.gz IVKAVUHNYWGOSO-JTQLQIEISA-N 1 1 308.342 -1.293 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)on1 ZINC001129750516 776480692 /nfs/dbraw/zinc/48/06/92/776480692.db2.gz OJZJVDZZLLHYMI-QMMMGPOBSA-N 1 1 311.298 -1.513 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)n1C ZINC001129809729 776482109 /nfs/dbraw/zinc/48/21/09/776482109.db2.gz LHDTXYOQGFBZIK-UHFFFAOYSA-N 1 1 319.369 -1.009 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)NC(N)=O ZINC001129901068 776485492 /nfs/dbraw/zinc/48/54/92/776485492.db2.gz QOSZZGWMDOPNKZ-DJLDLDEBSA-N 1 1 308.342 -1.198 20 0 DAADMO O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001129893195 776485805 /nfs/dbraw/zinc/48/58/05/776485805.db2.gz KLPBHOWBSIEZCT-NXEZZACHSA-N 1 1 320.353 -1.229 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@H]1CCCNC1=O ZINC001129953829 776486804 /nfs/dbraw/zinc/48/68/04/776486804.db2.gz QUBQGNICWPHXFX-JTQLQIEISA-N 1 1 312.349 -1.020 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCCNC1=O ZINC001129954152 776486876 /nfs/dbraw/zinc/48/68/76/776486876.db2.gz ZWCFWVTXHLLXGW-SNVBAGLBSA-N 1 1 307.358 -1.260 20 0 DAADMO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001129931296 776486912 /nfs/dbraw/zinc/48/69/12/776486912.db2.gz PQLYPRBEAHKAJQ-UHFFFAOYSA-N 1 1 300.338 -1.035 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129956489 776487215 /nfs/dbraw/zinc/48/72/15/776487215.db2.gz BGXWETYEZSUOQH-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985269 776488149 /nfs/dbraw/zinc/48/81/49/776488149.db2.gz UPODFTFJFIPVTG-ZJUUUORDSA-N 1 1 323.357 -2.371 20 0 DAADMO NC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170470082 776489504 /nfs/dbraw/zinc/48/95/04/776489504.db2.gz VRAXPZFKJHVUBV-AOOOYVTPSA-N 1 1 316.317 -1.072 20 0 DAADMO NC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170470082 776489509 /nfs/dbraw/zinc/48/95/09/776489509.db2.gz VRAXPZFKJHVUBV-AOOOYVTPSA-N 1 1 316.317 -1.072 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[NH2+]Cc1nncn1C ZINC001130038849 776491017 /nfs/dbraw/zinc/49/10/17/776491017.db2.gz SQDWWOLTADZGBM-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O)c1nnnn1C ZINC001130050634 776491506 /nfs/dbraw/zinc/49/15/06/776491506.db2.gz DPUCKRXBLQSEGW-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO Cc1cc(COCC(=O)NCC[NH2+]Cc2nnnn2C)on1 ZINC001130117985 776493937 /nfs/dbraw/zinc/49/39/37/776493937.db2.gz IOMMUCZGDAAELW-UHFFFAOYSA-N 1 1 309.330 -1.071 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1ccnn1C)c1nnnn1C ZINC001130120842 776495771 /nfs/dbraw/zinc/49/57/71/776495771.db2.gz LHTMCNBOMXMCOX-JTQLQIEISA-N 1 1 322.373 -1.073 20 0 DAADMO CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130179669 776496228 /nfs/dbraw/zinc/49/62/28/776496228.db2.gz PNVBWXPJMJPJDZ-IUCAKERBSA-N 1 1 310.358 -1.222 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)COCc1cc[nH]c(=O)c1 ZINC001130214501 776497597 /nfs/dbraw/zinc/49/75/97/776497597.db2.gz SNYPOCVBSOCLMU-UHFFFAOYSA-N 1 1 321.341 -1.267 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2cccnc12 ZINC001090483098 776499326 /nfs/dbraw/zinc/49/93/26/776499326.db2.gz PTAJXDKFDOUYGG-NWDGAFQWSA-N 1 1 305.338 -1.113 20 0 DAADMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130232729 776499422 /nfs/dbraw/zinc/49/94/22/776499422.db2.gz PMTDXHWEJWOCLO-IUCAKERBSA-N 1 1 310.358 -1.222 20 0 DAADMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232729 776499424 /nfs/dbraw/zinc/49/94/24/776499424.db2.gz PMTDXHWEJWOCLO-IUCAKERBSA-N 1 1 310.358 -1.222 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)Cc2ccc(C(N)=O)nc2)nn1 ZINC001130253349 776500679 /nfs/dbraw/zinc/50/06/79/776500679.db2.gz RYFPHUBMIRVMJM-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO COCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1cnns1 ZINC001130334849 776503721 /nfs/dbraw/zinc/50/37/21/776503721.db2.gz CPEIPPWUYSGTNN-UHFFFAOYSA-N 1 1 322.412 -1.195 20 0 DAADMO C[C@]1(CO)CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC[C@H]1O ZINC001157946464 776505362 /nfs/dbraw/zinc/50/53/62/776505362.db2.gz NKBBPDZZASYGEJ-GZBFAFLISA-N 1 1 314.430 -1.671 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccn(C)c(=O)c1)c1nnnn1C ZINC001130379127 776505438 /nfs/dbraw/zinc/50/54/38/776505438.db2.gz LEDSXDDYUSVIJD-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001130381578 776506516 /nfs/dbraw/zinc/50/65/16/776506516.db2.gz CGKOOPFOGSITDS-UHFFFAOYSA-N 1 1 311.346 -2.727 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001130381720 776507079 /nfs/dbraw/zinc/50/70/79/776507079.db2.gz JMWNQRPEAZISDO-UHFFFAOYSA-N 1 1 311.346 -2.727 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nccn1C ZINC001130381537 776507468 /nfs/dbraw/zinc/50/74/68/776507468.db2.gz AVEVNLJFJUPGII-UHFFFAOYSA-N 1 1 310.358 -2.122 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001130384363 776508411 /nfs/dbraw/zinc/50/84/11/776508411.db2.gz DTHGZFDNLCWIHK-SNVBAGLBSA-N 1 1 322.369 -1.504 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001130381948 776508740 /nfs/dbraw/zinc/50/87/40/776508740.db2.gz PSUQJWSQPZOHDM-UHFFFAOYSA-N 1 1 324.385 -1.813 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417948 776509119 /nfs/dbraw/zinc/50/91/19/776509119.db2.gz MFRZVJPPNBAUHO-HTQZYQBOSA-N 1 1 308.342 -1.826 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417948 776509129 /nfs/dbraw/zinc/50/91/29/776509129.db2.gz MFRZVJPPNBAUHO-HTQZYQBOSA-N 1 1 308.342 -1.826 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417950 776509215 /nfs/dbraw/zinc/50/92/15/776509215.db2.gz MFRZVJPPNBAUHO-SFYZADRCSA-N 1 1 308.342 -1.826 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417950 776509223 /nfs/dbraw/zinc/50/92/23/776509223.db2.gz MFRZVJPPNBAUHO-SFYZADRCSA-N 1 1 308.342 -1.826 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130442050 776510232 /nfs/dbraw/zinc/51/02/32/776510232.db2.gz NCXYBBVEIRIGEU-QMMMGPOBSA-N 1 1 321.345 -2.024 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001130417997 776510250 /nfs/dbraw/zinc/51/02/50/776510250.db2.gz NQUBMMQTUYLDEZ-WPRPVWTQSA-N 1 1 320.353 -1.811 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001090484551 776511210 /nfs/dbraw/zinc/51/12/10/776511210.db2.gz BJTYGRYUXQITEI-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001090484551 776511217 /nfs/dbraw/zinc/51/12/17/776511217.db2.gz BJTYGRYUXQITEI-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090485066 776513407 /nfs/dbraw/zinc/51/34/07/776513407.db2.gz FPNRBCOLIIRJEH-KBPBESRZSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC001090486278 776515217 /nfs/dbraw/zinc/51/52/17/776515217.db2.gz MTTVRNIDOCIJKO-QWRGUYRKSA-N 1 1 306.326 -1.718 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553751 776516616 /nfs/dbraw/zinc/51/66/16/776516616.db2.gz OTYSHJSACIUWIJ-UHFFFAOYSA-N 1 1 323.401 -1.722 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CC2CS(=O)(=O)C2)[nH]1 ZINC001130577803 776517755 /nfs/dbraw/zinc/51/77/55/776517755.db2.gz JAWZGEALKDXRQQ-UHFFFAOYSA-N 1 1 301.372 -1.246 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC001090486919 776518124 /nfs/dbraw/zinc/51/81/24/776518124.db2.gz QHHCGANTTSIFTH-NEPJUHHUSA-N 1 1 320.353 -1.328 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001130587947 776518638 /nfs/dbraw/zinc/51/86/38/776518638.db2.gz HJXSBJRKQWEOIK-VIFPVBQESA-N 1 1 322.373 -1.271 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1ncccn1 ZINC001130588040 776519388 /nfs/dbraw/zinc/51/93/88/776519388.db2.gz KRPPGKBCKGNYMZ-SNVBAGLBSA-N 1 1 305.342 -1.161 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001130590936 776519831 /nfs/dbraw/zinc/51/98/31/776519831.db2.gz NEMKQRMTMPBGLI-UHFFFAOYSA-N 1 1 322.373 -1.340 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001130588376 776520551 /nfs/dbraw/zinc/52/05/51/776520551.db2.gz SKEKKYSEZZEFNH-UHFFFAOYSA-N 1 1 307.358 -1.296 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001130611777 776521489 /nfs/dbraw/zinc/52/14/89/776521489.db2.gz IDDSNCSCPBWYRP-GFCCVEGCSA-N 1 1 323.401 -1.066 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)n1C ZINC001130591240 776521927 /nfs/dbraw/zinc/52/19/27/776521927.db2.gz YOVFAWJEVUFITQ-UHFFFAOYSA-N 1 1 322.373 -1.821 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090488013 776522598 /nfs/dbraw/zinc/52/25/98/776522598.db2.gz CEOIMQOLOJIOSE-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090489424 776523218 /nfs/dbraw/zinc/52/32/18/776523218.db2.gz LJDQTBNNDFCFFY-STQMWFEESA-N 1 1 312.414 -1.374 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090489422 776523393 /nfs/dbraw/zinc/52/33/93/776523393.db2.gz LJDQTBNNDFCFFY-OLZOCXBDSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C(=O)NCC(F)F)c1nncn1C ZINC001130643108 776523599 /nfs/dbraw/zinc/52/35/99/776523599.db2.gz PPANWKNSBJRXQH-SSDOTTSWSA-N 1 1 304.301 -1.037 20 0 DAADMO O=C(C[NH2+]CCNC(=O)C(=O)NCC(F)F)Nc1ccon1 ZINC001130642851 776523848 /nfs/dbraw/zinc/52/38/48/776523848.db2.gz GGFPELJTMMPGNR-UHFFFAOYSA-N 1 1 319.268 -1.300 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090489750 776525537 /nfs/dbraw/zinc/52/55/37/776525537.db2.gz OYTRFMHDOULYDL-NEPJUHHUSA-N 1 1 314.386 -2.648 20 0 DAADMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130662455 776526067 /nfs/dbraw/zinc/52/60/67/776526067.db2.gz ZABXKBWILRYNBB-GXSJLCMTSA-N 1 1 322.369 -2.075 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CCC(=O)NC1 ZINC001130702644 776526639 /nfs/dbraw/zinc/52/66/39/776526639.db2.gz SBOZTRRRKWLKRM-SNVBAGLBSA-N 1 1 322.369 -1.460 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705852 776527210 /nfs/dbraw/zinc/52/72/10/776527210.db2.gz NTUYVKPPUDBOEF-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)C[C@H](C)O1 ZINC001130752218 776528408 /nfs/dbraw/zinc/52/84/08/776528408.db2.gz SECLODPUFUEHHS-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)NC(=O)NC1CCCC1 ZINC001130745555 776529062 /nfs/dbraw/zinc/52/90/62/776529062.db2.gz BVWUQZDCYVHWED-UHFFFAOYSA-N 1 1 323.357 -1.108 20 0 DAADMO O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001130745808 776529309 /nfs/dbraw/zinc/52/93/09/776529309.db2.gz NMLYPGICQJLXCZ-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)c1cnn[nH]1 ZINC001130748928 776529345 /nfs/dbraw/zinc/52/93/45/776529345.db2.gz ORZZYRQTFUHTLP-MRVPVSSYSA-N 1 1 310.314 -2.366 20 0 DAADMO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)c1cnn[nH]1 ZINC001130745832 776529373 /nfs/dbraw/zinc/52/93/73/776529373.db2.gz OGPMSGUQDNRDKV-UHFFFAOYSA-N 1 1 302.360 -1.840 20 0 DAADMO O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)c1cnn[nH]1 ZINC001130745895 776529440 /nfs/dbraw/zinc/52/94/40/776529440.db2.gz RDXIXZYYYOVUKC-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001098473090 776530616 /nfs/dbraw/zinc/53/06/16/776530616.db2.gz QUWZATZUYRGNIF-UHFFFAOYSA-N 1 1 313.333 -1.067 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130781576 776532513 /nfs/dbraw/zinc/53/25/13/776532513.db2.gz MXGWIOUZXWIOAQ-UHFFFAOYSA-N 1 1 324.389 -1.125 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130802405 776534687 /nfs/dbraw/zinc/53/46/87/776534687.db2.gz SDHOHMHJUVLQPJ-JGVFFNPUSA-N 1 1 312.330 -2.292 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001130819346 776537279 /nfs/dbraw/zinc/53/72/79/776537279.db2.gz QNVDYKYGCQOXRU-UHFFFAOYSA-N 1 1 316.325 -1.381 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2c(n1)OCCO2 ZINC001130812103 776537487 /nfs/dbraw/zinc/53/74/87/776537487.db2.gz BPDWKTFFNAHMMO-UHFFFAOYSA-N 1 1 319.325 -1.104 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ncnc2[nH]ccc21 ZINC001130853966 776538566 /nfs/dbraw/zinc/53/85/66/776538566.db2.gz XSJQVXGRMYUKHG-UHFFFAOYSA-N 1 1 301.314 -1.047 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC001090495961 776538989 /nfs/dbraw/zinc/53/89/89/776538989.db2.gz LFQDZHRTJMLGCD-NEPJUHHUSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC001090495961 776538992 /nfs/dbraw/zinc/53/89/92/776538992.db2.gz LFQDZHRTJMLGCD-NEPJUHHUSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC001090496302 776541369 /nfs/dbraw/zinc/54/13/69/776541369.db2.gz OHFBDCRVSTZCPO-WDEREUQCSA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC001090496302 776541375 /nfs/dbraw/zinc/54/13/75/776541375.db2.gz OHFBDCRVSTZCPO-WDEREUQCSA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC001130938948 776545074 /nfs/dbraw/zinc/54/50/74/776545074.db2.gz YKAYIRBOQMFATQ-UHFFFAOYSA-N 1 1 307.314 -2.017 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NCC[NH2+][C@H]2CCNC2=O)cc1=O ZINC001130925530 776545189 /nfs/dbraw/zinc/54/51/89/776545189.db2.gz DHXBPRMOXDLOJN-LBPRGKRZSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCCCNC(N)=O)c1nnnn1C ZINC001130958482 776546751 /nfs/dbraw/zinc/54/67/51/776546751.db2.gz FKYNHDCCUSKOHQ-SECBINFHSA-N 1 1 312.378 -1.185 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCN2C(=O)CCC2=O)n1 ZINC001130994877 776548258 /nfs/dbraw/zinc/54/82/58/776548258.db2.gz QZKGDVBPHKAIBD-UHFFFAOYSA-N 1 1 308.342 -1.440 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCN1C(=O)CCC1=O)c1nnnn1C ZINC001130994702 776548529 /nfs/dbraw/zinc/54/85/29/776548529.db2.gz NOFZTWLHZIGULH-SECBINFHSA-N 1 1 323.357 -1.484 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131008577 776550599 /nfs/dbraw/zinc/55/05/99/776550599.db2.gz UYCFLBODAQWVOO-SNVBAGLBSA-N 1 1 309.374 -1.188 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131008441 776550744 /nfs/dbraw/zinc/55/07/44/776550744.db2.gz OKVQDDWBYWUQEE-SECBINFHSA-N 1 1 310.362 -1.793 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)C2)nn1 ZINC001131000972 776551030 /nfs/dbraw/zinc/55/10/30/776551030.db2.gz LBKWOXZMWXHKIL-VIFPVBQESA-N 1 1 301.372 -1.544 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)c1nnnn1C ZINC001131025740 776554888 /nfs/dbraw/zinc/55/48/88/776554888.db2.gz ZLDPWYOCTDXIEL-VHSXEESVSA-N 1 1 324.389 -1.232 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497666 776556783 /nfs/dbraw/zinc/55/67/83/776556783.db2.gz WTKLWUWWEXGINI-GHMZBOCLSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497666 776556788 /nfs/dbraw/zinc/55/67/88/776556788.db2.gz WTKLWUWWEXGINI-GHMZBOCLSA-N 1 1 321.341 -1.128 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccnc2n[nH]nc21 ZINC001131168595 776558411 /nfs/dbraw/zinc/55/84/11/776558411.db2.gz LWLUYSJQJUHECD-UHFFFAOYSA-N 1 1 302.302 -1.604 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2ccc3nnnn3c2)nn1 ZINC001131278209 776561229 /nfs/dbraw/zinc/56/12/29/776561229.db2.gz BVKFGAXWYRVWLU-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090499121 776561454 /nfs/dbraw/zinc/56/14/54/776561454.db2.gz GFOOXQMRANAISA-VHSXEESVSA-N 1 1 321.345 -2.333 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2ccc3nnnn3c2)n1 ZINC001131278680 776561982 /nfs/dbraw/zinc/56/19/82/776561982.db2.gz MKGYALYWGVZCLX-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO COCC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](O)COC)CC1 ZINC001131316116 776562913 /nfs/dbraw/zinc/56/29/13/776562913.db2.gz BRFYUWFZLTWTFH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N1CCC(=O)NCC[N@H+](C[C@H](O)COC)CC1 ZINC001131316116 776562916 /nfs/dbraw/zinc/56/29/16/776562916.db2.gz BRFYUWFZLTWTFH-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001131322820 776563087 /nfs/dbraw/zinc/56/30/87/776563087.db2.gz CODKHUHEJWKZSH-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001131322820 776563096 /nfs/dbraw/zinc/56/30/96/776563096.db2.gz CODKHUHEJWKZSH-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](C(C)C)CC1 ZINC001131364178 776566782 /nfs/dbraw/zinc/56/67/82/776566782.db2.gz HIOXTJKJXPOOQS-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](C(C)C)CC1 ZINC001131364178 776566787 /nfs/dbraw/zinc/56/67/87/776566787.db2.gz HIOXTJKJXPOOQS-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2c(c1)nnn2C ZINC001131458624 776570425 /nfs/dbraw/zinc/57/04/25/776570425.db2.gz CPXSNCXTNVNWFA-UHFFFAOYSA-N 1 1 316.329 -1.594 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001131503849 776571564 /nfs/dbraw/zinc/57/15/64/776571564.db2.gz HBJWEHRKOYOZMM-JTQLQIEISA-N 1 1 319.373 -1.340 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090501056 776573283 /nfs/dbraw/zinc/57/32/83/776573283.db2.gz UDCNLYXWRGEXLA-WDEREUQCSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)n1 ZINC001131519620 776574853 /nfs/dbraw/zinc/57/48/53/776574853.db2.gz HVYWFBMQNCOBJC-CVZZAPKMSA-N 1 1 321.385 -1.721 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520218 776575000 /nfs/dbraw/zinc/57/50/00/776575000.db2.gz VAMZBMYRSOLFDM-CVZZAPKMSA-N 1 1 321.385 -1.721 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545438 776575224 /nfs/dbraw/zinc/57/52/24/776575224.db2.gz RVGXIORZPJOQJK-UHFFFAOYSA-N 1 1 320.357 -1.133 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090501053 776575360 /nfs/dbraw/zinc/57/53/60/776575360.db2.gz UDCNLYXWRGEXLA-GHMZBOCLSA-N 1 1 320.357 -1.728 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)c1nncn1C ZINC001131540358 776575864 /nfs/dbraw/zinc/57/58/64/776575864.db2.gz YCTPGZMGXFWWQP-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)nn1 ZINC001131540374 776576851 /nfs/dbraw/zinc/57/68/51/776576851.db2.gz YJFYFXASXZMCAA-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001131666595 776580080 /nfs/dbraw/zinc/58/00/80/776580080.db2.gz PQAUYZBAGMEKHC-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO CC[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC(=O)N1 ZINC001131681178 776582386 /nfs/dbraw/zinc/58/23/86/776582386.db2.gz WVIQNTJVSXXJOO-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131753025 776583674 /nfs/dbraw/zinc/58/36/74/776583674.db2.gz YPCQVRKCMXMPJA-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131753025 776583680 /nfs/dbraw/zinc/58/36/80/776583680.db2.gz YPCQVRKCMXMPJA-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131698277 776583720 /nfs/dbraw/zinc/58/37/20/776583720.db2.gz XUBGLRPZIBRMMH-BXUZGUMPSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)c1nnnn1C ZINC001131769434 776586947 /nfs/dbraw/zinc/58/69/47/776586947.db2.gz QZBLRWWEYJDJBM-SECBINFHSA-N 1 1 323.361 -2.038 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)NC(N)=O ZINC001131792461 776588614 /nfs/dbraw/zinc/58/86/14/776588614.db2.gz LBXZTUCLCDJCPN-YUMQZZPRSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)NC(N)=O ZINC001131792461 776588622 /nfs/dbraw/zinc/58/86/22/776588622.db2.gz LBXZTUCLCDJCPN-YUMQZZPRSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1coc(C(N)=O)c1)c1nnnn1C ZINC001131782698 776590011 /nfs/dbraw/zinc/59/00/11/776590011.db2.gz BMRHSMHJLMCZKW-SSDOTTSWSA-N 1 1 307.314 -1.017 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1cn(C)nn1)S(N)(=O)=O ZINC001131777725 776591006 /nfs/dbraw/zinc/59/10/06/776591006.db2.gz SSFJEVKCNNDYAM-SNVBAGLBSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001131793539 776591015 /nfs/dbraw/zinc/59/10/15/776591015.db2.gz UPDRERFSCZLQBR-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001131793539 776591020 /nfs/dbraw/zinc/59/10/20/776591020.db2.gz UPDRERFSCZLQBR-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1)c1nnnn1C ZINC001131844094 776592147 /nfs/dbraw/zinc/59/21/47/776592147.db2.gz BGSITNXBNLSHFN-UWVGGRQHSA-N 1 1 309.374 -1.107 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nc(C)cs1 ZINC001131828471 776592895 /nfs/dbraw/zinc/59/28/95/776592895.db2.gz RRVUTKVDHRABNT-UHFFFAOYSA-N 1 1 321.428 -1.289 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CNS(=O)(=O)NC)n1 ZINC001131831641 776594229 /nfs/dbraw/zinc/59/42/29/776594229.db2.gz KLTVFZXPDCWCIG-UHFFFAOYSA-N 1 1 319.391 -2.442 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(OC)no1 ZINC001131831828 776594913 /nfs/dbraw/zinc/59/49/13/776594913.db2.gz SCFWDDCMRWDDRS-UHFFFAOYSA-N 1 1 321.359 -2.057 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CCO ZINC001132077472 776604594 /nfs/dbraw/zinc/60/45/94/776604594.db2.gz HTWRMEHTGAVASZ-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132079355 776604828 /nfs/dbraw/zinc/60/48/28/776604828.db2.gz XCVGSCFGMJMTAQ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132079355 776604830 /nfs/dbraw/zinc/60/48/30/776604830.db2.gz XCVGSCFGMJMTAQ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132038832 776605349 /nfs/dbraw/zinc/60/53/49/776605349.db2.gz VBQOEMRRGHITFE-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NCC[NH2+]Cc2nnnn2C)c1C ZINC001132174151 776609259 /nfs/dbraw/zinc/60/92/59/776609259.db2.gz BYDSBLXCCCQGSN-UHFFFAOYSA-N 1 1 320.357 -1.560 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132209779 776609876 /nfs/dbraw/zinc/60/98/76/776609876.db2.gz QVVILXOPGCPVOP-UHFFFAOYSA-N 1 1 306.330 -1.246 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCOC)C1 ZINC001132200843 776610618 /nfs/dbraw/zinc/61/06/18/776610618.db2.gz UQGZZFPCNTVNAA-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CCOCCO ZINC001132225499 776610866 /nfs/dbraw/zinc/61/08/66/776610866.db2.gz XXXQODMJRBHGEV-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001132199554 776611406 /nfs/dbraw/zinc/61/14/06/776611406.db2.gz JIAIXTDXQDVJPJ-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001132199554 776611413 /nfs/dbraw/zinc/61/14/13/776611413.db2.gz JIAIXTDXQDVJPJ-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCO)C1 ZINC001132199615 776612016 /nfs/dbraw/zinc/61/20/16/776612016.db2.gz KRQFNQUKKZRFIK-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132252194 776613653 /nfs/dbraw/zinc/61/36/53/776613653.db2.gz BTMRZISBEPANJH-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C[N@H+]1CC(N)=O ZINC001132252194 776613657 /nfs/dbraw/zinc/61/36/57/776613657.db2.gz BTMRZISBEPANJH-ZJUUUORDSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C)c1nnnn1C ZINC001132257613 776614867 /nfs/dbraw/zinc/61/48/67/776614867.db2.gz MKXFZERQEILKBV-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccn2nnnc2c1)c1nnnn1C ZINC001132271913 776615754 /nfs/dbraw/zinc/61/57/54/776615754.db2.gz GWTNHXGKWPSNER-QMMMGPOBSA-N 1 1 316.329 -1.272 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1ccn2nnnc2c1 ZINC001132272159 776615916 /nfs/dbraw/zinc/61/59/16/776615916.db2.gz QNQXQTXDPMKEON-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001132318437 776618251 /nfs/dbraw/zinc/61/82/51/776618251.db2.gz ZSMXJFKCVIBXDT-SNVBAGLBSA-N 1 1 309.374 -1.986 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132337060 776618752 /nfs/dbraw/zinc/61/87/52/776618752.db2.gz FVRPIGIQLVOYTI-NXEZZACHSA-N 1 1 307.358 -1.275 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337498 776618871 /nfs/dbraw/zinc/61/88/71/776618871.db2.gz LNEKIUGWGLTJGK-NXEZZACHSA-N 1 1 309.374 -1.029 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1nnnn1C ZINC001132318234 776618944 /nfs/dbraw/zinc/61/89/44/776618944.db2.gz UACSXXQANDUDNY-SECBINFHSA-N 1 1 310.362 -2.591 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337499 776619101 /nfs/dbraw/zinc/61/91/01/776619101.db2.gz LNEKIUGWGLTJGK-UWVGGRQHSA-N 1 1 309.374 -1.029 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001132320420 776619133 /nfs/dbraw/zinc/61/91/33/776619133.db2.gz COQDOHDSSKLTHB-UHFFFAOYSA-N 1 1 320.397 -1.533 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132338241 776620144 /nfs/dbraw/zinc/62/01/44/776620144.db2.gz SAXOQOUOPWJNJK-UWVGGRQHSA-N 1 1 322.369 -1.474 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)on1 ZINC001132320846 776620362 /nfs/dbraw/zinc/62/03/62/776620362.db2.gz WSSLRCUZHQCAMW-UHFFFAOYSA-N 1 1 311.342 -1.679 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001132320862 776620434 /nfs/dbraw/zinc/62/04/34/776620434.db2.gz XHSZBEWMMVUIPX-SNVBAGLBSA-N 1 1 323.401 -1.434 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132327319 776620533 /nfs/dbraw/zinc/62/05/33/776620533.db2.gz NPTSIWMSFHSIPF-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001132320927 776620640 /nfs/dbraw/zinc/62/06/40/776620640.db2.gz ZZXBBBITPIFJRZ-UHFFFAOYSA-N 1 1 308.386 -1.459 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)c1nnnn1C1CC1 ZINC001132358841 776623033 /nfs/dbraw/zinc/62/30/33/776623033.db2.gz INCZAXXIJGDRGS-PSASIEDQSA-N 1 1 307.358 -1.089 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)nn2C)NC1=O ZINC001132387210 776625067 /nfs/dbraw/zinc/62/50/67/776625067.db2.gz QAZYDIJHYXIAIP-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1)c1nnnn1C1CC1 ZINC001132387565 776626600 /nfs/dbraw/zinc/62/66/00/776626600.db2.gz VVTTWWKJDWLHBQ-WPRPVWTQSA-N 1 1 322.373 -1.202 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)CC[C@@H]1C ZINC001132380268 776626741 /nfs/dbraw/zinc/62/67/41/776626741.db2.gz HWZLUAKBWOMVQV-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)CC[C@@H]1C ZINC001132380268 776626746 /nfs/dbraw/zinc/62/67/46/776626746.db2.gz HWZLUAKBWOMVQV-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382233 776626899 /nfs/dbraw/zinc/62/68/99/776626899.db2.gz FRUHHJFHQOQYSQ-JTQLQIEISA-N 1 1 309.374 -1.083 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCCC3)NC1=O ZINC001132383148 776628428 /nfs/dbraw/zinc/62/84/28/776628428.db2.gz YZUVMVOYKOMOMS-JTQLQIEISA-N 1 1 321.385 -1.156 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CN(C)C(=O)N2)n1C ZINC001132382821 776628513 /nfs/dbraw/zinc/62/85/13/776628513.db2.gz RYQNNDIQTUHZRB-SECBINFHSA-N 1 1 309.374 -1.393 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132458140 776630076 /nfs/dbraw/zinc/63/00/76/776630076.db2.gz QFPYAWSPQCNSQU-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCO)C1 ZINC001132499348 776630171 /nfs/dbraw/zinc/63/01/71/776630171.db2.gz GXLCCLBSTYHEAE-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2nc(C3CC3)nn2C)n1 ZINC001132526916 776631603 /nfs/dbraw/zinc/63/16/03/776631603.db2.gz HNQDESNXXYBZCU-UHFFFAOYSA-N 1 1 305.346 -1.264 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001086686339 776632417 /nfs/dbraw/zinc/63/24/17/776632417.db2.gz QVAFZQDZIZFIQV-AEJSXWLSSA-N 1 1 323.357 -1.307 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132600707 776635453 /nfs/dbraw/zinc/63/54/53/776635453.db2.gz YVKJOXOYIVOJAL-JQWIXIFHSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132609462 776636947 /nfs/dbraw/zinc/63/69/47/776636947.db2.gz ZWQAFURBMJUSTP-SNVBAGLBSA-N 1 1 309.374 -1.062 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1)c1nnnn1C ZINC001132719745 776639820 /nfs/dbraw/zinc/63/98/20/776639820.db2.gz YEZPFZGGIUPZTH-TVQRCGJNSA-N 1 1 309.374 -1.107 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132773697 776641269 /nfs/dbraw/zinc/64/12/69/776641269.db2.gz OULDHRTWRBXLSN-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNCc2nnn(C)n2)C1 ZINC001132858675 776642340 /nfs/dbraw/zinc/64/23/40/776642340.db2.gz FATZYJIMJRNELQ-NSHDSACASA-N 1 1 311.390 -1.475 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001132848275 776642745 /nfs/dbraw/zinc/64/27/45/776642745.db2.gz CRRSSFFJDUAQOI-JTQLQIEISA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132849049 776643194 /nfs/dbraw/zinc/64/31/94/776643194.db2.gz ZYDSYAXGLWCDCZ-NWDGAFQWSA-N 1 1 300.403 -1.064 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132849050 776643370 /nfs/dbraw/zinc/64/33/70/776643370.db2.gz ZYDSYAXGLWCDCZ-RYUDHWBXSA-N 1 1 300.403 -1.064 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132919657 776645076 /nfs/dbraw/zinc/64/50/76/776645076.db2.gz CVLGFUBPOOEJHL-SECBINFHSA-N 1 1 319.373 -1.651 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCc3nnn(C)c3C2)nn1 ZINC001132920835 776645609 /nfs/dbraw/zinc/64/56/09/776645609.db2.gz PFSJCNKLHRASDG-JTQLQIEISA-N 1 1 318.385 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132921984 776647083 /nfs/dbraw/zinc/64/70/83/776647083.db2.gz ZEFRQNSWFFQOPN-SNVBAGLBSA-N 1 1 318.385 -1.046 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCc2n[nH]nc21)C(=O)NC(N)=O ZINC001132997963 776648999 /nfs/dbraw/zinc/64/89/99/776648999.db2.gz NCXRPPYNFTWWCZ-JGVFFNPUSA-N 1 1 323.357 -1.486 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1c[nH]c(=O)cn1 ZINC001133016284 776650568 /nfs/dbraw/zinc/65/05/68/776650568.db2.gz RXIBXQFLZHGPJC-UHFFFAOYSA-N 1 1 319.325 -1.589 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)c1c[nH]c(=O)cn1 ZINC001133015825 776650582 /nfs/dbraw/zinc/65/05/82/776650582.db2.gz GEWBDQUYBCQQND-UHFFFAOYSA-N 1 1 304.314 -1.389 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1CCCc2n[nH]nc21 ZINC001132998219 776650949 /nfs/dbraw/zinc/65/09/49/776650949.db2.gz QEIUKZRIPFWOHQ-SNVBAGLBSA-N 1 1 321.385 -1.044 20 0 DAADMO O=C(NCC[NH2+]Cc1cn(CC2CC2)nn1)[C@@H]1CNC(=O)N1 ZINC001133111507 776652813 /nfs/dbraw/zinc/65/28/13/776652813.db2.gz FFTQGFXBHDBMDC-NSHDSACASA-N 1 1 307.358 -1.425 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@H]1CNC(=O)N1 ZINC001133111902 776652868 /nfs/dbraw/zinc/65/28/68/776652868.db2.gz RVHDFQQJLKIGQJ-SECBINFHSA-N 1 1 307.358 -1.498 20 0 DAADMO O=C(NCC[NH2+]Cc1noc2c1COCC2)[C@H]1CNC(=O)N1 ZINC001133115443 776653749 /nfs/dbraw/zinc/65/37/49/776653749.db2.gz NAIKCHSZPFIDEU-SNVBAGLBSA-N 1 1 309.326 -1.366 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCCC2)[C@H]1CNC(=O)N1 ZINC001133116176 776653919 /nfs/dbraw/zinc/65/39/19/776653919.db2.gz XEMSHNCZKXZHRI-SNVBAGLBSA-N 1 1 321.385 -1.108 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115281 776654338 /nfs/dbraw/zinc/65/43/38/776654338.db2.gz JMZJUTSJNVXVQZ-VIFPVBQESA-N 1 1 307.358 -1.420 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001133115129 776654777 /nfs/dbraw/zinc/65/47/77/776654777.db2.gz GKXBEWWHOHEGEQ-SNVBAGLBSA-N 1 1 309.374 -1.080 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)n1C ZINC001133129004 776657072 /nfs/dbraw/zinc/65/70/72/776657072.db2.gz SUCJHOOWTADOGT-SECBINFHSA-N 1 1 309.374 -1.174 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)on1 ZINC001133152117 776657577 /nfs/dbraw/zinc/65/75/77/776657577.db2.gz QTZDSZNLNMBVHE-UHFFFAOYSA-N 1 1 320.371 -1.042 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)c1nncn1C ZINC001133151918 776657726 /nfs/dbraw/zinc/65/77/26/776657726.db2.gz LWJRVJKPWTVDLE-SECBINFHSA-N 1 1 318.403 -1.349 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133129059 776657862 /nfs/dbraw/zinc/65/78/62/776657862.db2.gz UXORAUATEXXGQV-SNVBAGLBSA-N 1 1 309.374 -1.179 20 0 DAADMO CC[C@@H]([NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(N)=O ZINC001133254669 776662958 /nfs/dbraw/zinc/66/29/58/776662958.db2.gz FBMHVAPNZLOCND-NEPJUHHUSA-N 1 1 324.385 -1.573 20 0 DAADMO CN(CC[NH2+]CCNC(=O)C1=NC(=O)N(C)C1)S(C)(=O)=O ZINC001133335210 776664930 /nfs/dbraw/zinc/66/49/30/776664930.db2.gz LJJLBHGMBNMMGI-UHFFFAOYSA-N 1 1 319.387 -1.664 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133332645 776665159 /nfs/dbraw/zinc/66/51/59/776665159.db2.gz RIPIOTLPHGXHIT-UHFFFAOYSA-N 1 1 313.358 -1.402 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133334792 776665361 /nfs/dbraw/zinc/66/53/61/776665361.db2.gz AXXQWCYHEOSLAV-UHFFFAOYSA-N 1 1 313.358 -1.402 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cccc(=O)n1C)c1nnnn1C ZINC001133643209 776672951 /nfs/dbraw/zinc/67/29/51/776672951.db2.gz JPBKNVGOJRORPC-SECBINFHSA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CCNC1=O ZINC001133754794 776675495 /nfs/dbraw/zinc/67/54/95/776675495.db2.gz XHHXZSUVUZKRFE-CQSZACIVSA-N 1 1 322.369 -1.460 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001133790549 776678417 /nfs/dbraw/zinc/67/84/17/776678417.db2.gz QONDCLQXCGPAGS-RKDXNWHRSA-N 1 1 313.362 -1.061 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)O1 ZINC001133791493 776679647 /nfs/dbraw/zinc/67/96/47/776679647.db2.gz NTTAWECNXJYCEE-NEPJUHHUSA-N 1 1 324.385 -1.343 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001170717245 776686589 /nfs/dbraw/zinc/68/65/89/776686589.db2.gz LNIONSWMHBCQQY-UHFFFAOYSA-N 1 1 323.357 -2.599 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001133997881 776686865 /nfs/dbraw/zinc/68/68/65/776686865.db2.gz IQZJGLPROJIGOH-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CC[C@@H](C(=O)NCCNCC(=O)N1CCNC(=O)C1)[NH+](C)C ZINC001133982813 776686900 /nfs/dbraw/zinc/68/69/00/776686900.db2.gz OGVBAXWSNFSESZ-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134037115 776688058 /nfs/dbraw/zinc/68/80/58/776688058.db2.gz RQCFDPDIQVITII-UHFFFAOYSA-N 1 1 304.376 -2.008 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134037115 776688063 /nfs/dbraw/zinc/68/80/63/776688063.db2.gz RQCFDPDIQVITII-UHFFFAOYSA-N 1 1 304.376 -2.008 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134013900 776688151 /nfs/dbraw/zinc/68/81/51/776688151.db2.gz HINMZMWAULARMK-UHFFFAOYSA-N 1 1 310.358 -1.698 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134013900 776688154 /nfs/dbraw/zinc/68/81/54/776688154.db2.gz HINMZMWAULARMK-UHFFFAOYSA-N 1 1 310.358 -1.698 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134037259 776688266 /nfs/dbraw/zinc/68/82/66/776688266.db2.gz YERVAXBFQXNYRN-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134037259 776688268 /nfs/dbraw/zinc/68/82/68/776688268.db2.gz YERVAXBFQXNYRN-UHFFFAOYSA-N 1 1 318.403 -1.618 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134036560 776688538 /nfs/dbraw/zinc/68/85/38/776688538.db2.gz CMMYNKYBEWFJQF-GFCCVEGCSA-N 1 1 307.358 -1.299 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134036560 776688540 /nfs/dbraw/zinc/68/85/40/776688540.db2.gz CMMYNKYBEWFJQF-GFCCVEGCSA-N 1 1 307.358 -1.299 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001170727199 776688560 /nfs/dbraw/zinc/68/85/60/776688560.db2.gz YOGHFPNRSDISOB-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001134014341 776688707 /nfs/dbraw/zinc/68/87/07/776688707.db2.gz SHWROVLFWUVATA-GFCCVEGCSA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001134014341 776688710 /nfs/dbraw/zinc/68/87/10/776688710.db2.gz SHWROVLFWUVATA-GFCCVEGCSA-N 1 1 324.385 -1.262 20 0 DAADMO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134037025 776688863 /nfs/dbraw/zinc/68/88/63/776688863.db2.gz OSKNZZOWLFQTJE-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO CS(=O)(=O)CCC[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134037025 776688868 /nfs/dbraw/zinc/68/88/68/776688868.db2.gz OSKNZZOWLFQTJE-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001134036605 776689332 /nfs/dbraw/zinc/68/93/32/776689332.db2.gz FBIKFZVEOVMPGD-LLVKDONJSA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001134036605 776689338 /nfs/dbraw/zinc/68/93/38/776689338.db2.gz FBIKFZVEOVMPGD-LLVKDONJSA-N 1 1 324.385 -1.404 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134098178 776690177 /nfs/dbraw/zinc/69/01/77/776690177.db2.gz ACNVRFGNYMEVIN-JTQLQIEISA-N 1 1 319.373 -1.340 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)CN1CN=NC1=O)[NH2+]Cc1nnn(C)n1 ZINC001134135050 776691935 /nfs/dbraw/zinc/69/19/35/776691935.db2.gz RHKYUMPNLLPBDZ-BDAKNGLRSA-N 1 1 323.361 -1.420 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001134138751 776694456 /nfs/dbraw/zinc/69/44/56/776694456.db2.gz IMFWYICDTJOUED-UHFFFAOYSA-N 1 1 319.369 -1.001 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001170734694 776694634 /nfs/dbraw/zinc/69/46/34/776694634.db2.gz NSRPTTFVKMNTOC-LLVKDONJSA-N 1 1 307.358 -1.299 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134161565 776694739 /nfs/dbraw/zinc/69/47/39/776694739.db2.gz PQEYTKRROFPUSF-UHFFFAOYSA-N 1 1 318.341 -1.759 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC001090518241 776696136 /nfs/dbraw/zinc/69/61/36/776696136.db2.gz BPCFQWARYZOIEA-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC001090518241 776696137 /nfs/dbraw/zinc/69/61/37/776696137.db2.gz BPCFQWARYZOIEA-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)nn1 ZINC001134351745 776697543 /nfs/dbraw/zinc/69/75/43/776697543.db2.gz DVOBCMKWCOXRQX-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)on1 ZINC001134352008 776697806 /nfs/dbraw/zinc/69/78/06/776697806.db2.gz GTNSXCVROWTVNE-QMMMGPOBSA-N 1 1 320.371 -1.173 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nccn1C ZINC001134352054 776697960 /nfs/dbraw/zinc/69/79/60/776697960.db2.gz ICPYLSYOJMZGDU-SECBINFHSA-N 1 1 303.388 -1.436 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)c1nnnn1C ZINC001134351469 776697985 /nfs/dbraw/zinc/69/79/85/776697985.db2.gz BZWVYMVZEWBROC-SFYZADRCSA-N 1 1 319.391 -2.085 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)nn1C ZINC001134352681 776698173 /nfs/dbraw/zinc/69/81/73/776698173.db2.gz NBZNZPSSVQFTNV-SNVBAGLBSA-N 1 1 317.415 -1.128 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001134352839 776698994 /nfs/dbraw/zinc/69/89/94/776698994.db2.gz OIMOOYLPNPRYIN-RKDXNWHRSA-N 1 1 318.403 -1.480 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353276 776699018 /nfs/dbraw/zinc/69/90/18/776699018.db2.gz SLUPTZBGNDKFAF-HTQZYQBOSA-N 1 1 318.403 -1.182 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353281 776699840 /nfs/dbraw/zinc/69/98/40/776699840.db2.gz SLUPTZBGNDKFAF-JGVFFNPUSA-N 1 1 318.403 -1.182 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353014 776699865 /nfs/dbraw/zinc/69/98/65/776699865.db2.gz QOAHKJZJPBDUDB-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnns1 ZINC001134353611 776699928 /nfs/dbraw/zinc/69/99/28/776699928.db2.gz UWPPODVFIQIPEG-ZETCQYMHSA-N 1 1 307.401 -1.318 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1ncccn1 ZINC001134455975 776704441 /nfs/dbraw/zinc/70/44/41/776704441.db2.gz MVGZJPREQMASNU-BDAKNGLRSA-N 1 1 306.326 -1.159 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456497 776704547 /nfs/dbraw/zinc/70/45/47/776704547.db2.gz XCYPXZSCCDTYGV-QMMMGPOBSA-N 1 1 321.341 -1.514 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001134456508 776704701 /nfs/dbraw/zinc/70/47/01/776704701.db2.gz XNICDKKQFUHJPH-YUMQZZPRSA-N 1 1 323.357 -1.268 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1nncn1C ZINC001134455520 776704976 /nfs/dbraw/zinc/70/49/76/776704976.db2.gz FHLDIAGWADOJGJ-SFYZADRCSA-N 1 1 309.330 -1.820 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001134455574 776705350 /nfs/dbraw/zinc/70/53/50/776705350.db2.gz HWWVLIPOBXJRHP-VIFPVBQESA-N 1 1 309.330 -1.898 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccon1 ZINC001134486831 776706103 /nfs/dbraw/zinc/70/61/03/776706103.db2.gz BPLGPLNLJKKVTI-UHFFFAOYSA-N 1 1 305.360 -1.724 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001159183885 776709113 /nfs/dbraw/zinc/70/91/13/776709113.db2.gz BNBGBNZXWACQGD-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001134524041 776709701 /nfs/dbraw/zinc/70/97/01/776709701.db2.gz IXBNLFAEEMRFJA-IUCAKERBSA-N 1 1 312.378 -1.488 20 0 DAADMO COc1c(C(=O)NCC[NH2+]Cc2nnnn2C)c(C)nn1C ZINC001134594213 776711671 /nfs/dbraw/zinc/71/16/71/776711671.db2.gz DZUUUYMQZQLCSK-UHFFFAOYSA-N 1 1 308.346 -1.220 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090519718 776712012 /nfs/dbraw/zinc/71/20/12/776712012.db2.gz KEOCHLBCFHZRFN-WDEREUQCSA-N 1 1 311.338 -1.535 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134641085 776714310 /nfs/dbraw/zinc/71/43/10/776714310.db2.gz QRHHNWCWRYWVDS-SNVBAGLBSA-N 1 1 315.399 -1.154 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)no1 ZINC001134664731 776717206 /nfs/dbraw/zinc/71/72/06/776717206.db2.gz AHDIXDVOTXFYJG-UHFFFAOYSA-N 1 1 321.337 -1.100 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714135 776719505 /nfs/dbraw/zinc/71/95/05/776719505.db2.gz AQQKCNSKBCUHGL-UHFFFAOYSA-N 1 1 324.301 -3.164 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665498 776719612 /nfs/dbraw/zinc/71/96/12/776719612.db2.gz NSJXZEKKDQHBAF-UHFFFAOYSA-N 1 1 322.329 -2.873 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC001134665517 776719676 /nfs/dbraw/zinc/71/96/76/776719676.db2.gz OFJACMLHRKPZFE-UHFFFAOYSA-N 1 1 321.341 -2.268 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665672 776719764 /nfs/dbraw/zinc/71/97/64/776719764.db2.gz QMLVJRQIOFWZJV-UHFFFAOYSA-N 1 1 321.341 -2.268 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134666019 776720602 /nfs/dbraw/zinc/72/06/02/776720602.db2.gz XMOOKMMMCFUYGJ-UHFFFAOYSA-N 1 1 321.341 -2.268 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)co1 ZINC001134714381 776720966 /nfs/dbraw/zinc/72/09/66/776720966.db2.gz NZGBOYNHAMRYAE-UHFFFAOYSA-N 1 1 323.309 -1.391 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714539 776721532 /nfs/dbraw/zinc/72/15/32/776721532.db2.gz VWXLMVJBWWQQNL-UHFFFAOYSA-N 1 1 322.325 -1.954 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)no1 ZINC001134714328 776721909 /nfs/dbraw/zinc/72/19/09/776721909.db2.gz KXOWILCATHYZFP-UHFFFAOYSA-N 1 1 323.309 -1.391 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cnns1)C(N)=O ZINC001134829859 776723089 /nfs/dbraw/zinc/72/30/89/776723089.db2.gz PQJBAADYCDSEJJ-VIFPVBQESA-N 1 1 314.371 -1.876 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nnnn1C)C(N)=O ZINC001134829866 776723365 /nfs/dbraw/zinc/72/33/65/776723365.db2.gz PUSIPAPTOQBZJK-QMMMGPOBSA-N 1 1 312.334 -3.204 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1)C(N)=O ZINC001134829753 776723981 /nfs/dbraw/zinc/72/39/81/776723981.db2.gz PMAQVESITAOSST-VIFPVBQESA-N 1 1 311.346 -2.301 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961039 776731013 /nfs/dbraw/zinc/73/10/13/776731013.db2.gz JIHNKUOUGMHYOG-UHFFFAOYSA-N 1 1 319.391 -2.256 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)n1 ZINC001134961195 776731184 /nfs/dbraw/zinc/73/11/84/776731184.db2.gz MVEWYIVDZSIJLG-UHFFFAOYSA-N 1 1 317.415 -1.046 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001134999539 776733540 /nfs/dbraw/zinc/73/35/40/776733540.db2.gz XEHAHVKNFUZVPD-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001135002094 776733849 /nfs/dbraw/zinc/73/38/49/776733849.db2.gz XOKDVSZYZALVTM-VIFPVBQESA-N 1 1 322.377 -1.213 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135071553 776734884 /nfs/dbraw/zinc/73/48/84/776734884.db2.gz HMJLYGSBOFIUBW-RKDXNWHRSA-N 1 1 310.358 -1.123 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)NC(N)=O ZINC001135071551 776735743 /nfs/dbraw/zinc/73/57/43/776735743.db2.gz HMJLYGSBOFIUBW-DTWKUNHWSA-N 1 1 310.358 -1.123 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126239 776737512 /nfs/dbraw/zinc/73/75/12/776737512.db2.gz PBCJSNNROPGWKO-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135127212 776737547 /nfs/dbraw/zinc/73/75/47/776737547.db2.gz ZOBIDVSIKWBHHA-SECBINFHSA-N 1 1 316.387 -1.945 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@]2(C)CCCS2(=O)=O)nn1 ZINC001135159652 776740877 /nfs/dbraw/zinc/74/08/77/776740877.db2.gz XZXNTZKSZWPTAU-GFCCVEGCSA-N 1 1 315.399 -1.012 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)[nH]1 ZINC001135158957 776741348 /nfs/dbraw/zinc/74/13/48/776741348.db2.gz LUTKDNAIQKSPKN-UHFFFAOYSA-N 1 1 321.341 -1.693 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)nn1 ZINC001135159601 776741373 /nfs/dbraw/zinc/74/13/73/776741373.db2.gz WQROVMCKWUJKBD-UHFFFAOYSA-N 1 1 321.341 -1.991 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1nnn(C)n1 ZINC001135213802 776742346 /nfs/dbraw/zinc/74/23/46/776742346.db2.gz BKXICPWXXLZQJS-HTQZYQBOSA-N 1 1 308.350 -1.580 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135220561 776742360 /nfs/dbraw/zinc/74/23/60/776742360.db2.gz YZKSIBRZLDLVJM-JTQLQIEISA-N 1 1 309.374 -1.042 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135220501 776742393 /nfs/dbraw/zinc/74/23/93/776742393.db2.gz YOWQXZMEAPANDO-VIFPVBQESA-N 1 1 307.358 -1.118 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135220562 776742650 /nfs/dbraw/zinc/74/26/50/776742650.db2.gz YZKSIBRZLDLVJM-SNVBAGLBSA-N 1 1 309.374 -1.042 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001135215551 776743841 /nfs/dbraw/zinc/74/38/41/776743841.db2.gz BKZIJIWXWZTURR-JTQLQIEISA-N 1 1 322.369 -1.317 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2nncn2c1 ZINC001135244400 776744044 /nfs/dbraw/zinc/74/40/44/776744044.db2.gz NUIMPALGHAOLLK-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)[nH]1 ZINC001135268798 776746342 /nfs/dbraw/zinc/74/63/42/776746342.db2.gz HACSGFFQKMZBHH-ZETCQYMHSA-N 1 1 308.342 -1.067 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C1CC(=O)NC(=O)C1)c1nncn1C ZINC001135269223 776746386 /nfs/dbraw/zinc/74/63/86/776746386.db2.gz MYEBEPVTNFYZHX-QMMMGPOBSA-N 1 1 308.342 -1.365 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269606 776747799 /nfs/dbraw/zinc/74/77/99/776747799.db2.gz PBHVRWGXKREKBY-UHFFFAOYSA-N 1 1 322.369 -1.135 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135321488 776749844 /nfs/dbraw/zinc/74/98/44/776749844.db2.gz VUIUBBXLBHSUEL-RKDXNWHRSA-N 1 1 320.357 -1.020 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1nccn1C ZINC001135387797 776755069 /nfs/dbraw/zinc/75/50/69/776755069.db2.gz YCGHRCWAWOHVEU-LLVKDONJSA-N 1 1 324.385 -1.604 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1nncn1C ZINC001135444273 776755986 /nfs/dbraw/zinc/75/59/86/776755986.db2.gz QTNURBLXQPLZIG-QMMMGPOBSA-N 1 1 309.330 -1.866 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135444048 776756402 /nfs/dbraw/zinc/75/64/02/776756402.db2.gz LPCPEBYTUPYECR-UHFFFAOYSA-N 1 1 324.345 -2.159 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)ccc1=O ZINC001135482387 776757208 /nfs/dbraw/zinc/75/72/08/776757208.db2.gz AJPQZKIGCIDAHO-SECBINFHSA-N 1 1 320.357 -1.133 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135524149 776760293 /nfs/dbraw/zinc/76/02/93/776760293.db2.gz RFEFCOMGVMGXFQ-NXEZZACHSA-N 1 1 301.347 -1.464 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135524149 776760298 /nfs/dbraw/zinc/76/02/98/776760298.db2.gz RFEFCOMGVMGXFQ-NXEZZACHSA-N 1 1 301.347 -1.464 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135526231 776760588 /nfs/dbraw/zinc/76/05/88/776760588.db2.gz WYHJPYWFMXKTBI-UHFFFAOYSA-N 1 1 320.357 -1.484 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135526231 776760591 /nfs/dbraw/zinc/76/05/91/776760591.db2.gz WYHJPYWFMXKTBI-UHFFFAOYSA-N 1 1 320.357 -1.484 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)NCC(=O)N1CCCC1 ZINC001135529181 776762009 /nfs/dbraw/zinc/76/20/09/776762009.db2.gz HZGJJYCHIBJJFD-UHFFFAOYSA-N 1 1 323.357 -2.137 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)NCC(=O)N1CCCC1 ZINC001135529181 776762011 /nfs/dbraw/zinc/76/20/11/776762011.db2.gz HZGJJYCHIBJJFD-UHFFFAOYSA-N 1 1 323.357 -2.137 20 0 DAADMO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1ncn[nH]1)C(=O)N(C)C ZINC001135529534 776762123 /nfs/dbraw/zinc/76/21/23/776762123.db2.gz WKOFSSREBFXJLO-QMMMGPOBSA-N 1 1 311.346 -2.283 20 0 DAADMO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001135529534 776762128 /nfs/dbraw/zinc/76/21/28/776762128.db2.gz WKOFSSREBFXJLO-QMMMGPOBSA-N 1 1 311.346 -2.283 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681163 776767281 /nfs/dbraw/zinc/76/72/81/776767281.db2.gz CQVKCOLRAIPILY-UHFFFAOYSA-N 1 1 308.350 -1.634 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CCn2cnnn2)n1C ZINC001135684806 776767489 /nfs/dbraw/zinc/76/74/89/776767489.db2.gz YRHZTSUGAJLNKX-UHFFFAOYSA-N 1 1 307.362 -1.340 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001135736013 776768981 /nfs/dbraw/zinc/76/89/81/776768981.db2.gz VCRRKNKIYPVAQF-DTWKUNHWSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001135736013 776768985 /nfs/dbraw/zinc/76/89/85/776768985.db2.gz VCRRKNKIYPVAQF-DTWKUNHWSA-N 1 1 323.357 -1.157 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncn[nH]1 ZINC001135735716 776769276 /nfs/dbraw/zinc/76/92/76/776769276.db2.gz UPEFDDOGVDWHRF-HTQZYQBOSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nc[nH]n1 ZINC001135735716 776769282 /nfs/dbraw/zinc/76/92/82/776769282.db2.gz UPEFDDOGVDWHRF-HTQZYQBOSA-N 1 1 311.346 -1.253 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCn1cnnn1 ZINC001135759580 776770657 /nfs/dbraw/zinc/77/06/57/776770657.db2.gz NUKVXCHBFHAZKH-VHSXEESVSA-N 1 1 322.377 -1.340 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001135895096 776774309 /nfs/dbraw/zinc/77/43/09/776774309.db2.gz CZNFOAUXVUATMW-YUMQZZPRSA-N 1 1 311.346 -1.585 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525625 776774472 /nfs/dbraw/zinc/77/44/72/776774472.db2.gz MHWAMSFZHSFAIZ-MWLCHTKSSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525625 776774477 /nfs/dbraw/zinc/77/44/77/776774477.db2.gz MHWAMSFZHSFAIZ-MWLCHTKSSA-N 1 1 323.353 -1.977 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001136129605 776781035 /nfs/dbraw/zinc/78/10/35/776781035.db2.gz MJWSJAZXTQOTTA-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cncn1 ZINC001136131474 776781162 /nfs/dbraw/zinc/78/11/62/776781162.db2.gz ZPXFLJYUERPONW-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001136216468 776782130 /nfs/dbraw/zinc/78/21/30/776782130.db2.gz MLRVADJOPZRPRV-NSHDSACASA-N 1 1 301.391 -1.841 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001170905914 776782177 /nfs/dbraw/zinc/78/21/77/776782177.db2.gz PRUYHWIQTKFEAF-NXEZZACHSA-N 1 1 310.354 -1.094 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001170905914 776782183 /nfs/dbraw/zinc/78/21/83/776782183.db2.gz PRUYHWIQTKFEAF-NXEZZACHSA-N 1 1 310.354 -1.094 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001136187525 776782494 /nfs/dbraw/zinc/78/24/94/776782494.db2.gz DFTXEAHSQKUEEA-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001090530953 776783192 /nfs/dbraw/zinc/78/31/92/776783192.db2.gz GOVRRSZVRGBAGV-QWRGUYRKSA-N 1 1 323.353 -1.670 20 0 DAADMO COc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001090530953 776783196 /nfs/dbraw/zinc/78/31/96/776783196.db2.gz GOVRRSZVRGBAGV-QWRGUYRKSA-N 1 1 323.353 -1.670 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001090532193 776783402 /nfs/dbraw/zinc/78/34/02/776783402.db2.gz AOUHELKSWPINRJ-ZJUUUORDSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001090532193 776783406 /nfs/dbraw/zinc/78/34/06/776783406.db2.gz AOUHELKSWPINRJ-ZJUUUORDSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001090531859 776783460 /nfs/dbraw/zinc/78/34/60/776783460.db2.gz ONBKLIOGPLKAHW-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090532117 776783480 /nfs/dbraw/zinc/78/34/80/776783480.db2.gz ABPIRYVPFQFSJX-NXEZZACHSA-N 1 1 311.342 -1.653 20 0 DAADMO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)n1 ZINC001090530954 776783809 /nfs/dbraw/zinc/78/38/09/776783809.db2.gz GOVRRSZVRGBAGV-WDEREUQCSA-N 1 1 323.353 -1.670 20 0 DAADMO COc1ncc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)n1 ZINC001090530954 776783817 /nfs/dbraw/zinc/78/38/17/776783817.db2.gz GOVRRSZVRGBAGV-WDEREUQCSA-N 1 1 323.353 -1.670 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532558 776784601 /nfs/dbraw/zinc/78/46/01/776784601.db2.gz SJLUWQWQDVLNPS-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532558 776784608 /nfs/dbraw/zinc/78/46/08/776784608.db2.gz SJLUWQWQDVLNPS-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532297 776785070 /nfs/dbraw/zinc/78/50/70/776785070.db2.gz BDESVQDTUGKAGX-NEPJUHHUSA-N 1 1 309.370 -1.518 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001090532456 776785270 /nfs/dbraw/zinc/78/52/70/776785270.db2.gz BKNHPQJRZQRVOG-CMPLNLGQSA-N 1 1 319.321 -1.241 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001090533310 776786054 /nfs/dbraw/zinc/78/60/54/776786054.db2.gz YVZSRPCXYVSVJP-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001090533310 776786058 /nfs/dbraw/zinc/78/60/58/776786058.db2.gz YVZSRPCXYVSVJP-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001090533607 776786660 /nfs/dbraw/zinc/78/66/60/776786660.db2.gz JJTIAPAGDPUOBX-VHSXEESVSA-N 1 1 315.761 -1.427 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001090533607 776786667 /nfs/dbraw/zinc/78/66/67/776786667.db2.gz JJTIAPAGDPUOBX-VHSXEESVSA-N 1 1 315.761 -1.427 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533554 776786854 /nfs/dbraw/zinc/78/68/54/776786854.db2.gz IPEIZIBMTXWXHL-KOLCDFICSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090533554 776786857 /nfs/dbraw/zinc/78/68/57/776786857.db2.gz IPEIZIBMTXWXHL-KOLCDFICSA-N 1 1 310.358 -1.857 20 0 DAADMO Cn1c(=O)cccc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090554039 776788923 /nfs/dbraw/zinc/78/89/23/776788923.db2.gz UPJNSPFJOGNLFL-WCQYABFASA-N 1 1 309.366 -1.067 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001090541960 776789655 /nfs/dbraw/zinc/78/96/55/776789655.db2.gz YHZFQQVJSNEZLK-RKDXNWHRSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090566228 776790672 /nfs/dbraw/zinc/79/06/72/776790672.db2.gz KKFQFCBVYZRQJF-WDEREUQCSA-N 1 1 311.338 -1.074 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001090574822 776790926 /nfs/dbraw/zinc/79/09/26/776790926.db2.gz XTUOMSUOUCPIRY-SKDRFNHKSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090576615 776791816 /nfs/dbraw/zinc/79/18/16/776791816.db2.gz NAWDDUKPIGRUAT-OCCSQVGLSA-N 1 1 323.397 -1.299 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001090574819 776791839 /nfs/dbraw/zinc/79/18/39/776791839.db2.gz XTUOMSUOUCPIRY-BXKDBHETSA-N 1 1 310.354 -1.075 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](O)C1 ZINC001090563627 776791881 /nfs/dbraw/zinc/79/18/81/776791881.db2.gz OMISQDXTZHXHCD-RKDXNWHRSA-N 1 1 317.371 -1.758 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090593007 776793127 /nfs/dbraw/zinc/79/31/27/776793127.db2.gz CMDCIURKOYDIQE-STQMWFEESA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090593007 776793133 /nfs/dbraw/zinc/79/31/33/776793133.db2.gz CMDCIURKOYDIQE-STQMWFEESA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590927 776793201 /nfs/dbraw/zinc/79/32/01/776793201.db2.gz ZFZJWJLPAVBOET-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590927 776793203 /nfs/dbraw/zinc/79/32/03/776793203.db2.gz ZFZJWJLPAVBOET-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090582052 776793976 /nfs/dbraw/zinc/79/39/76/776793976.db2.gz UZCTUDLNXBWUHL-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090582052 776793988 /nfs/dbraw/zinc/79/39/88/776793988.db2.gz UZCTUDLNXBWUHL-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090593000 776794639 /nfs/dbraw/zinc/79/46/39/776794639.db2.gz CMDCIURKOYDIQE-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090593000 776794641 /nfs/dbraw/zinc/79/46/41/776794641.db2.gz CMDCIURKOYDIQE-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1)N1CCC1 ZINC001090588368 776794721 /nfs/dbraw/zinc/79/47/21/776794721.db2.gz CUHLOTNJYOPEON-STQMWFEESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](O)C1)N1CCC1 ZINC001090588368 776794724 /nfs/dbraw/zinc/79/47/24/776794724.db2.gz CUHLOTNJYOPEON-STQMWFEESA-N 1 1 319.365 -1.126 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610088 776795132 /nfs/dbraw/zinc/79/51/32/776795132.db2.gz PVNYXABPQKLOTP-NWDGAFQWSA-N 1 1 324.381 -1.341 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610993 776795598 /nfs/dbraw/zinc/79/55/98/776795598.db2.gz XSYWBIVXBDQODP-NEPJUHHUSA-N 1 1 324.381 -1.343 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090599405 776796624 /nfs/dbraw/zinc/79/66/24/776796624.db2.gz FGDJOKCGUJGTOC-QWHCGFSZSA-N 1 1 319.369 -1.205 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090610852 776796809 /nfs/dbraw/zinc/79/68/09/776796809.db2.gz WBWQMVGWEDWQKV-BDAKNGLRSA-N 1 1 312.326 -2.022 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610090 776797042 /nfs/dbraw/zinc/79/70/42/776797042.db2.gz PVNYXABPQKLOTP-VXGBXAGGSA-N 1 1 324.381 -1.341 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641241 776799040 /nfs/dbraw/zinc/79/90/40/776799040.db2.gz OJAQGIYXNWOVST-GHMZBOCLSA-N 1 1 313.354 -2.027 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)N1CCOCC1 ZINC001090640045 776799639 /nfs/dbraw/zinc/79/96/39/776799639.db2.gz FZRIZBUEOJOYHY-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090634262 776799941 /nfs/dbraw/zinc/79/99/41/776799941.db2.gz UVRJMBQNLZATPD-WDEREUQCSA-N 1 1 312.374 -1.660 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115034228 776800007 /nfs/dbraw/zinc/80/00/07/776800007.db2.gz YYUGOLKIOOMIER-KXNHARMFSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641873 776800593 /nfs/dbraw/zinc/80/05/93/776800593.db2.gz SQTXLYZNDUNQKF-UWVGGRQHSA-N 1 1 301.318 -1.440 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641873 776800602 /nfs/dbraw/zinc/80/06/02/776800602.db2.gz SQTXLYZNDUNQKF-UWVGGRQHSA-N 1 1 301.318 -1.440 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090631944 776800660 /nfs/dbraw/zinc/80/06/60/776800660.db2.gz YIHXOCWDLMEJHP-CHWSQXEVSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090640539 776800992 /nfs/dbraw/zinc/80/09/92/776800992.db2.gz JHBVAYYCXOXLSM-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090643142 776802080 /nfs/dbraw/zinc/80/20/80/776802080.db2.gz DRKKIZOFANCNGE-CMPLNLGQSA-N 1 1 320.357 -1.728 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2nncn2c1 ZINC001090645491 776804901 /nfs/dbraw/zinc/80/49/01/776804901.db2.gz CUOYJAGDYWIYBV-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2nncn2c1 ZINC001090645489 776805352 /nfs/dbraw/zinc/80/53/52/776805352.db2.gz CUOYJAGDYWIYBV-RYUDHWBXSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090655926 776806791 /nfs/dbraw/zinc/80/67/91/776806791.db2.gz XQFFEMXJBRWHMJ-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090655926 776806799 /nfs/dbraw/zinc/80/67/99/776806799.db2.gz XQFFEMXJBRWHMJ-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090654714 776807451 /nfs/dbraw/zinc/80/74/51/776807451.db2.gz KFYSXWAELFONAG-WDEREUQCSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090655502 776807467 /nfs/dbraw/zinc/80/74/67/776807467.db2.gz SFGYHGQXSPSCND-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090653667 776807688 /nfs/dbraw/zinc/80/76/88/776807688.db2.gz XTKJURFLVPZZOA-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090655929 776807742 /nfs/dbraw/zinc/80/77/42/776807742.db2.gz XQFFEMXJBRWHMJ-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090655929 776807753 /nfs/dbraw/zinc/80/77/53/776807753.db2.gz XQFFEMXJBRWHMJ-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090653675 776807902 /nfs/dbraw/zinc/80/79/02/776807902.db2.gz XTKJURFLVPZZOA-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090653792 776807997 /nfs/dbraw/zinc/80/79/97/776807997.db2.gz ZWHOIJOGPWXIOX-UWVGGRQHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090655505 776809054 /nfs/dbraw/zinc/80/90/54/776809054.db2.gz SFGYHGQXSPSCND-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC001090658272 776810557 /nfs/dbraw/zinc/81/05/57/776810557.db2.gz UPOHZQZVUKHYTA-VHSXEESVSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1nnc[nH]1 ZINC001090658333 776810648 /nfs/dbraw/zinc/81/06/48/776810648.db2.gz WUFRAYXFZRFXIY-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001090658333 776810654 /nfs/dbraw/zinc/81/06/54/776810654.db2.gz WUFRAYXFZRFXIY-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001090658333 776810663 /nfs/dbraw/zinc/81/06/63/776810663.db2.gz WUFRAYXFZRFXIY-WDEREUQCSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001090658197 776810759 /nfs/dbraw/zinc/81/07/59/776810759.db2.gz SGLRAUXZUWCJGA-ZJUUUORDSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1nnc[nH]1 ZINC001090658366 776810937 /nfs/dbraw/zinc/81/09/37/776810937.db2.gz XMNRJDVTPGTMEN-GHMZBOCLSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1nnc[nH]1 ZINC001090658271 776811208 /nfs/dbraw/zinc/81/12/08/776811208.db2.gz UPOHZQZVUKHYTA-UWVGGRQHSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1nnc[nH]1 ZINC001090657814 776812287 /nfs/dbraw/zinc/81/22/87/776812287.db2.gz IEANFELXRSNJSX-NXEZZACHSA-N 1 1 323.357 -2.005 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001090658195 776812515 /nfs/dbraw/zinc/81/25/15/776812515.db2.gz SGLRAUXZUWCJGA-UWVGGRQHSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC001090660473 776813306 /nfs/dbraw/zinc/81/33/06/776813306.db2.gz SEODLGORRNNJHD-JQWIXIFHSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1)N1CCC1 ZINC001090663836 776814666 /nfs/dbraw/zinc/81/46/66/776814666.db2.gz OADPOYXMBGGSNS-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1)N1CCC1 ZINC001090663836 776814674 /nfs/dbraw/zinc/81/46/74/776814674.db2.gz OADPOYXMBGGSNS-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090662820 776816015 /nfs/dbraw/zinc/81/60/15/776816015.db2.gz IPLGWWMHRPZLDA-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](O)C1 ZINC001090662820 776816024 /nfs/dbraw/zinc/81/60/24/776816024.db2.gz IPLGWWMHRPZLDA-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090662818 776817326 /nfs/dbraw/zinc/81/73/26/776817326.db2.gz IPLGWWMHRPZLDA-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001090662818 776817338 /nfs/dbraw/zinc/81/73/38/776817338.db2.gz IPLGWWMHRPZLDA-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090673450 776818102 /nfs/dbraw/zinc/81/81/02/776818102.db2.gz KVSCWBDIILEOJO-NEPJUHHUSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090673450 776818108 /nfs/dbraw/zinc/81/81/08/776818108.db2.gz KVSCWBDIILEOJO-NEPJUHHUSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673369 776819358 /nfs/dbraw/zinc/81/93/58/776819358.db2.gz KCMUZBTZYFCARC-QWRGUYRKSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673369 776819372 /nfs/dbraw/zinc/81/93/72/776819372.db2.gz KCMUZBTZYFCARC-QWRGUYRKSA-N 1 1 309.370 -1.408 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090676943 776822614 /nfs/dbraw/zinc/82/26/14/776822614.db2.gz WETFASYVXVHVCQ-CMPLNLGQSA-N 1 1 310.354 -1.339 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](O)C1 ZINC001090709514 776826347 /nfs/dbraw/zinc/82/63/47/776826347.db2.gz NOEGANPMDUCZOL-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710966 776826667 /nfs/dbraw/zinc/82/66/67/776826667.db2.gz ZFEZIQGNBIPARU-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@H]3O)n2n1 ZINC001090722604 776830909 /nfs/dbraw/zinc/83/09/09/776830909.db2.gz OEVSIXCEOHHNBD-ZYHUDNBSSA-N 1 1 320.353 -1.410 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@H](O)C1 ZINC001090729256 776833377 /nfs/dbraw/zinc/83/33/77/776833377.db2.gz ZTHQCZJBLWKJNO-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)[C@H](O)C1 ZINC001090729256 776833384 /nfs/dbraw/zinc/83/33/84/776833384.db2.gz ZTHQCZJBLWKJNO-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090722754 776833482 /nfs/dbraw/zinc/83/34/82/776833482.db2.gz PQQCZSRXNFTQDM-MNOVXSKESA-N 1 1 312.370 -1.160 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001090729255 776834377 /nfs/dbraw/zinc/83/43/77/776834377.db2.gz ZTHQCZJBLWKJNO-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001090729255 776834384 /nfs/dbraw/zinc/83/43/84/776834384.db2.gz ZTHQCZJBLWKJNO-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090724082 776834666 /nfs/dbraw/zinc/83/46/66/776834666.db2.gz FCUZNTOECCUJMP-MWLCHTKSSA-N 1 1 320.353 -1.009 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090735238 776836334 /nfs/dbraw/zinc/83/63/34/776836334.db2.gz VUHSNXPTFNPREX-PWSUYJOCSA-N 1 1 309.370 -1.300 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090766544 776838664 /nfs/dbraw/zinc/83/86/64/776838664.db2.gz FQZLSTFKSHJEAY-STQMWFEESA-N 1 1 312.370 -1.313 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)n1C ZINC001090771483 776841329 /nfs/dbraw/zinc/84/13/29/776841329.db2.gz SVJPZWZSTCGBNQ-GHMZBOCLSA-N 1 1 313.358 -2.566 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@H]2O)c(=O)n1C ZINC001090769871 776841540 /nfs/dbraw/zinc/84/15/40/776841540.db2.gz GNVSBKKWZOLUKJ-VXGBXAGGSA-N 1 1 311.386 -1.150 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090771280 776841620 /nfs/dbraw/zinc/84/16/20/776841620.db2.gz PYJPRKRUVWCBFN-NWDGAFQWSA-N 1 1 311.386 -1.148 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090785209 776842707 /nfs/dbraw/zinc/84/27/07/776842707.db2.gz XZRJMMVCPLTIBZ-NWDGAFQWSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090785209 776842710 /nfs/dbraw/zinc/84/27/10/776842710.db2.gz XZRJMMVCPLTIBZ-NWDGAFQWSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090789248 776843251 /nfs/dbraw/zinc/84/32/51/776843251.db2.gz FRDDRFPMFMWLFQ-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786546 776843597 /nfs/dbraw/zinc/84/35/97/776843597.db2.gz HIBNGURVKOFQKZ-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786546 776843608 /nfs/dbraw/zinc/84/36/08/776843608.db2.gz HIBNGURVKOFQKZ-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090788493 776844411 /nfs/dbraw/zinc/84/44/11/776844411.db2.gz YKFHMBBEDNGVNV-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090788493 776844421 /nfs/dbraw/zinc/84/44/21/776844421.db2.gz YKFHMBBEDNGVNV-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090793768 776845006 /nfs/dbraw/zinc/84/50/06/776845006.db2.gz HTUIHRYGLUCPBP-WDEREUQCSA-N 1 1 315.395 -1.238 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090794523 776845201 /nfs/dbraw/zinc/84/52/01/776845201.db2.gz RAXCZXDPVRHWLJ-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090794269 776845427 /nfs/dbraw/zinc/84/54/27/776845427.db2.gz NRDRYZSREZNMKY-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)C1=O ZINC001090792624 776845711 /nfs/dbraw/zinc/84/57/11/776845711.db2.gz FYTVHGSVSWCGJT-VHSXEESVSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)C1=O ZINC001090792624 776845719 /nfs/dbraw/zinc/84/57/19/776845719.db2.gz FYTVHGSVSWCGJT-VHSXEESVSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001090791524 776846318 /nfs/dbraw/zinc/84/63/18/776846318.db2.gz ASCKVBAHOZVUMM-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)C1=O ZINC001090792618 776847233 /nfs/dbraw/zinc/84/72/33/776847233.db2.gz FYTVHGSVSWCGJT-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)C1=O ZINC001090792618 776847244 /nfs/dbraw/zinc/84/72/44/776847244.db2.gz FYTVHGSVSWCGJT-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090793696 776847275 /nfs/dbraw/zinc/84/72/75/776847275.db2.gz LDIIXAPLJHVCAO-ZIAGYGMSSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090792687 776847904 /nfs/dbraw/zinc/84/79/04/776847904.db2.gz GPTJWSQUFQANNG-UWVGGRQHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090797095 776848691 /nfs/dbraw/zinc/84/86/91/776848691.db2.gz TZCAKMBMMNOORZ-UWVGGRQHSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090797095 776848698 /nfs/dbraw/zinc/84/86/98/776848698.db2.gz TZCAKMBMMNOORZ-UWVGGRQHSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090797293 776848741 /nfs/dbraw/zinc/84/87/41/776848741.db2.gz WUTSEWBSIHRUGS-WDEREUQCSA-N 1 1 313.354 -1.931 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090795693 776848795 /nfs/dbraw/zinc/84/87/95/776848795.db2.gz YQRFZVUIRPOIBR-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090792673 776849438 /nfs/dbraw/zinc/84/94/38/776849438.db2.gz GKXYVROEFZCIDQ-RKDXNWHRSA-N 1 1 309.326 -2.267 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090797097 776849740 /nfs/dbraw/zinc/84/97/40/776849740.db2.gz TZCAKMBMMNOORZ-ZJUUUORDSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090797097 776849750 /nfs/dbraw/zinc/84/97/50/776849750.db2.gz TZCAKMBMMNOORZ-ZJUUUORDSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090795435 776849872 /nfs/dbraw/zinc/84/98/72/776849872.db2.gz XAZBABAZHKOMNX-RKDXNWHRSA-N 1 1 300.315 -2.918 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]1 ZINC001090807154 776851230 /nfs/dbraw/zinc/85/12/30/776851230.db2.gz YLRJVXWHXJJDRB-QWHCGFSZSA-N 1 1 324.381 -1.115 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090799705 776851318 /nfs/dbraw/zinc/85/13/18/776851318.db2.gz WJTCOBIGLYKYQY-OLZOCXBDSA-N 1 1 309.366 -1.218 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cc1 ZINC001090802874 776852230 /nfs/dbraw/zinc/85/22/30/776852230.db2.gz SYTRWWHLWIFOMB-CHWSQXEVSA-N 1 1 307.350 -1.057 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001090802877 776852416 /nfs/dbraw/zinc/85/24/16/776852416.db2.gz SYTRWWHLWIFOMB-STQMWFEESA-N 1 1 307.350 -1.057 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001090809581 776853070 /nfs/dbraw/zinc/85/30/70/776853070.db2.gz UPDWDMVMYBLRSW-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090809062 776853405 /nfs/dbraw/zinc/85/34/05/776853405.db2.gz RCGGDIOPIMPZME-MNOVXSKESA-N 1 1 320.353 -1.790 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001090809588 776853891 /nfs/dbraw/zinc/85/38/91/776853891.db2.gz UPDWDMVMYBLRSW-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@H](O)C1 ZINC001090813976 776853936 /nfs/dbraw/zinc/85/39/36/776853936.db2.gz ZKLVGXJYSLWDNZ-CMPLNLGQSA-N 1 1 310.354 -1.075 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001090809594 776854484 /nfs/dbraw/zinc/85/44/84/776854484.db2.gz UPDWDMVMYBLRSW-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c[nH]1 ZINC001090812465 776854572 /nfs/dbraw/zinc/85/45/72/776854572.db2.gz GNIVVARDGNZLHI-ZYHUDNBSSA-N 1 1 310.354 -1.339 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090818898 776856001 /nfs/dbraw/zinc/85/60/01/776856001.db2.gz XLZMVTFLCVWQHW-KGLIPLIRSA-N 1 1 322.413 -1.075 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090818898 776856011 /nfs/dbraw/zinc/85/60/11/776856011.db2.gz XLZMVTFLCVWQHW-KGLIPLIRSA-N 1 1 322.413 -1.075 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090815813 776856160 /nfs/dbraw/zinc/85/61/60/776856160.db2.gz NYSCSKCBZVUXTN-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 ZINC001090821245 776856356 /nfs/dbraw/zinc/85/63/56/776856356.db2.gz ZHPLFKBAJLZCDO-QWHCGFSZSA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001090822706 776856551 /nfs/dbraw/zinc/85/65/51/776856551.db2.gz CASDYLVCGDWOLU-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090820235 776856571 /nfs/dbraw/zinc/85/65/71/776856571.db2.gz OWRPTQKYOIRJOD-STQMWFEESA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090819506 776856608 /nfs/dbraw/zinc/85/66/08/776856608.db2.gz BWWZFJXNXGUHNF-RYUDHWBXSA-N 1 1 308.338 -1.662 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)CC(N)=O ZINC001288065762 777887823 /nfs/dbraw/zinc/88/78/23/777887823.db2.gz AIUNQECMACGBJG-NSHDSACASA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001288065860 777887955 /nfs/dbraw/zinc/88/79/55/777887955.db2.gz BSPPQWVRAXRJLB-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067924 777888896 /nfs/dbraw/zinc/88/88/96/777888896.db2.gz WWQGNYGEBHAETF-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067924 777888902 /nfs/dbraw/zinc/88/89/02/777888902.db2.gz WWQGNYGEBHAETF-NXEZZACHSA-N 1 1 316.358 -2.872 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001288122799 777893978 /nfs/dbraw/zinc/89/39/78/777893978.db2.gz XAVWEJGTTFFGEG-JTQLQIEISA-N 1 1 302.375 -1.861 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001288122808 777894004 /nfs/dbraw/zinc/89/40/04/777894004.db2.gz XAVWEJGTTFFGEG-SNVBAGLBSA-N 1 1 302.375 -1.861 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001288147151 777894900 /nfs/dbraw/zinc/89/49/00/777894900.db2.gz DWASLOAQVGJNLD-LLVKDONJSA-N 1 1 316.402 -1.519 20 0 DAADMO COCCN(CCNC(=O)C(N)=O)C(=O)C[N@H+]1CCC[C@H]1C ZINC001288249896 777896260 /nfs/dbraw/zinc/89/62/60/777896260.db2.gz OLQDGCHTTPRZJB-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCCN(CCNC(=O)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001288240283 777896324 /nfs/dbraw/zinc/89/63/24/777896324.db2.gz DYULIBGUOMJYTG-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001288610714 777902365 /nfs/dbraw/zinc/90/23/65/777902365.db2.gz KFUXVOBSDHIALI-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001288610714 777902372 /nfs/dbraw/zinc/90/23/72/777902372.db2.gz KFUXVOBSDHIALI-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001289042197 777906463 /nfs/dbraw/zinc/90/64/63/777906463.db2.gz FVSQLOGDWYBGIA-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001290785958 777923314 /nfs/dbraw/zinc/92/33/14/777923314.db2.gz HVUFXNUYHMUMHB-UWVGGRQHSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC001290785956 777923511 /nfs/dbraw/zinc/92/35/11/777923511.db2.gz HVUFXNUYHMUMHB-NXEZZACHSA-N 1 1 300.359 -2.110 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cn(C)cn2)C1 ZINC001292638842 777938640 /nfs/dbraw/zinc/93/86/40/777938640.db2.gz QQUHZLIPLYVJSE-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cn(C)cn2)C1 ZINC001292638842 777938643 /nfs/dbraw/zinc/93/86/43/777938643.db2.gz QQUHZLIPLYVJSE-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N1CCOCC1 ZINC001292764291 777946964 /nfs/dbraw/zinc/94/69/64/777946964.db2.gz BWUJBNUVFAVMEI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)Cn2ncnn2)C1 ZINC001292785083 777948666 /nfs/dbraw/zinc/94/86/66/777948666.db2.gz KUCQORAKDRHHII-GFCCVEGCSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC001292810610 777948840 /nfs/dbraw/zinc/94/88/40/777948840.db2.gz WQIKVQYIWIMXAP-GMTAPVOTSA-N 1 1 319.427 -1.008 20 0 DAADMO Cn1nnc(C(=O)NCCNC(=O)c2cc(C[NH+](C)C)on2)n1 ZINC001292945022 777955283 /nfs/dbraw/zinc/95/52/83/777955283.db2.gz VUPPSDLTJHTRLU-UHFFFAOYSA-N 1 1 322.329 -1.581 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001293213625 777965185 /nfs/dbraw/zinc/96/51/85/777965185.db2.gz PXQUJZMTSFKHGC-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001293213625 777965189 /nfs/dbraw/zinc/96/51/89/777965189.db2.gz PXQUJZMTSFKHGC-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CNC(=O)NCC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001293358309 777968356 /nfs/dbraw/zinc/96/83/56/777968356.db2.gz NGXBYGGDPYSTNM-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001293334853 777968662 /nfs/dbraw/zinc/96/86/62/777968662.db2.gz ZQFHMTOYCHAXPE-SNVBAGLBSA-N 1 1 317.411 -1.395 20 0 DAADMO Cn1cnn(CC(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1=O ZINC001293334078 777968971 /nfs/dbraw/zinc/96/89/71/777968971.db2.gz QBWPQOWUOZIYOY-LLVKDONJSA-N 1 1 324.385 -1.844 20 0 DAADMO NC(=O)C(=O)NCCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001293492119 777971174 /nfs/dbraw/zinc/97/11/74/777971174.db2.gz QIRIPWXFSNAMAV-UHFFFAOYSA-N 1 1 323.353 -1.008 20 0 DAADMO NC(=O)C(=O)NCCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001293444924 777971373 /nfs/dbraw/zinc/97/13/73/777971373.db2.gz SNGWNKKUHZRNEX-UHFFFAOYSA-N 1 1 314.386 -1.403 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCCN(C)C(=O)Cn1cnnn1 ZINC001294130977 777980176 /nfs/dbraw/zinc/98/01/76/777980176.db2.gz GRSBYLFZADFRMV-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001294186722 777980192 /nfs/dbraw/zinc/98/01/92/777980192.db2.gz BNFSJMYEMIROMB-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001294186722 777980199 /nfs/dbraw/zinc/98/01/99/777980199.db2.gz BNFSJMYEMIROMB-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@H]1CCC[N@H+]1C ZINC001294278210 777981665 /nfs/dbraw/zinc/98/16/65/777981665.db2.gz ZOESEJSGLVGTHT-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1CCC[N@H+]1C ZINC001294278211 777982115 /nfs/dbraw/zinc/98/21/15/777982115.db2.gz ZOESEJSGLVGTHT-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COCCC(=O)NCCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001294644747 777985814 /nfs/dbraw/zinc/98/58/14/777985814.db2.gz AERXATLTTIAWGC-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001294658252 777986534 /nfs/dbraw/zinc/98/65/34/777986534.db2.gz CGRLQEWUYYKAQW-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001295330286 778000314 /nfs/dbraw/zinc/00/03/14/778000314.db2.gz DOOUQABDXQZOSO-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CN1C(=O)CCC1=O ZINC001295596805 778007322 /nfs/dbraw/zinc/00/73/22/778007322.db2.gz NIRWPWKWUHEMCS-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CC(=O)NC)C1 ZINC001296096242 778019066 /nfs/dbraw/zinc/01/90/66/778019066.db2.gz BRJGERUYJSJGRR-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)CC(=O)NC)C1 ZINC001296096242 778019076 /nfs/dbraw/zinc/01/90/76/778019076.db2.gz BRJGERUYJSJGRR-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(=O)NC ZINC001296280956 778023121 /nfs/dbraw/zinc/02/31/21/778023121.db2.gz ACYLIKLECMRQEU-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(=O)NC ZINC001296280956 778023132 /nfs/dbraw/zinc/02/31/32/778023132.db2.gz ACYLIKLECMRQEU-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001297057546 778035081 /nfs/dbraw/zinc/03/50/81/778035081.db2.gz USPWMKPHFOGXLQ-NSHDSACASA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C1(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001297093882 778037631 /nfs/dbraw/zinc/03/76/31/778037631.db2.gz LFRKXYMJPZUDRX-LLVKDONJSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001297091545 778037820 /nfs/dbraw/zinc/03/78/20/778037820.db2.gz DEVNDEJZASWSBQ-SNVBAGLBSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC001297293088 778045248 /nfs/dbraw/zinc/04/52/48/778045248.db2.gz GCOWXVNVYWNXOK-NSHDSACASA-N 1 1 307.358 -1.444 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001298052416 778056489 /nfs/dbraw/zinc/05/64/89/778056489.db2.gz QPGKNIHOKVLVIF-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001298052416 778056504 /nfs/dbraw/zinc/05/65/04/778056504.db2.gz QPGKNIHOKVLVIF-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO CN(CCN(C)C(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001298091534 778057622 /nfs/dbraw/zinc/05/76/22/778057622.db2.gz ZOWCWHYLMHBGKA-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001298149154 778060674 /nfs/dbraw/zinc/06/06/74/778060674.db2.gz PFDOPFGFFYFVNS-OLZOCXBDSA-N 1 1 322.365 -1.379 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CS(C)(=O)=O ZINC001298293082 778070574 /nfs/dbraw/zinc/07/05/74/778070574.db2.gz PINUVQSZSHDXQE-PGLGOXFNSA-N 1 1 317.411 -1.086 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CCNC(N)=O ZINC001298310198 778070797 /nfs/dbraw/zinc/07/07/97/778070797.db2.gz FRLYZQQGESZVQO-KXMPLOMGSA-N 1 1 311.386 -1.072 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001298321212 778072041 /nfs/dbraw/zinc/07/20/41/778072041.db2.gz RFGCBIWTJUVARA-UFFNRZRYSA-N 1 1 312.370 -1.629 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001298321212 778072050 /nfs/dbraw/zinc/07/20/50/778072050.db2.gz RFGCBIWTJUVARA-UFFNRZRYSA-N 1 1 312.370 -1.629 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C(C)(C)C(N)=O ZINC001298621182 778082017 /nfs/dbraw/zinc/08/20/17/778082017.db2.gz LHHCSHDYAUOGAK-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C(C)(C)C(N)=O ZINC001298621182 778082026 /nfs/dbraw/zinc/08/20/26/778082026.db2.gz LHHCSHDYAUOGAK-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001298781882 778086189 /nfs/dbraw/zinc/08/61/89/778086189.db2.gz YQEWDEGSTMBKBP-ONGXEEELSA-N 1 1 307.354 -1.051 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)NC(=O)C(N)=O ZINC001298862693 778089001 /nfs/dbraw/zinc/08/90/01/778089001.db2.gz UAFMETJAURLFPU-VHSXEESVSA-N 1 1 310.358 -2.081 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1C(N)=O)CCOCCO ZINC001303014769 778098565 /nfs/dbraw/zinc/09/85/65/778098565.db2.gz FFPMRVHRPZOGKV-UHFFFAOYSA-N 1 1 311.342 -1.754 20 0 DAADMO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CC([NH2+]C2COC2)C1 ZINC001304209003 778099974 /nfs/dbraw/zinc/09/99/74/778099974.db2.gz SLTAXNSZRTWZLR-UHFFFAOYSA-N 1 1 322.365 -1.046 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cn(CC(N)=O)nn3)CCN2C1=O ZINC001308577043 778103278 /nfs/dbraw/zinc/10/32/78/778103278.db2.gz NBODGMVTGOTCRH-JTQLQIEISA-N 1 1 321.341 -1.768 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cn(CC(N)=O)nn3)CCN2C1=O ZINC001308577043 778103281 /nfs/dbraw/zinc/10/32/81/778103281.db2.gz NBODGMVTGOTCRH-JTQLQIEISA-N 1 1 321.341 -1.768 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC001119564139 779509291 /nfs/dbraw/zinc/50/92/91/779509291.db2.gz IULHNXFQFGVAHD-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC001119564139 779509296 /nfs/dbraw/zinc/50/92/96/779509296.db2.gz IULHNXFQFGVAHD-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCOC[C@@H]1CCO ZINC001119758881 779511862 /nfs/dbraw/zinc/51/18/62/779511862.db2.gz JYYSHWPXZFVWGQ-YPMHNXCESA-N 1 1 311.382 -1.051 20 0 DAADMO COC1(OC)CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C[C@@H]1O ZINC001119827035 779513243 /nfs/dbraw/zinc/51/32/43/779513243.db2.gz VMGNHUPVJWJEQA-ZJUUUORDSA-N 1 1 301.343 -1.018 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCCCN2CCCC2=O)C[C@H]1CO ZINC001119902573 779514435 /nfs/dbraw/zinc/51/44/35/779514435.db2.gz IYWNIPOQGBQFDX-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCCCN2CCCC2=O)C[C@H]1CO ZINC001119902573 779514443 /nfs/dbraw/zinc/51/44/43/779514443.db2.gz IYWNIPOQGBQFDX-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001119911001 779514757 /nfs/dbraw/zinc/51/47/57/779514757.db2.gz CSPWRTBKWNZJSV-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001119911001 779514765 /nfs/dbraw/zinc/51/47/65/779514765.db2.gz CSPWRTBKWNZJSV-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCCCN2CCCC2=O)C[C@@H]1CO ZINC001119902572 779514787 /nfs/dbraw/zinc/51/47/87/779514787.db2.gz IYWNIPOQGBQFDX-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCCCN2CCCC2=O)C[C@@H]1CO ZINC001119902572 779514795 /nfs/dbraw/zinc/51/47/95/779514795.db2.gz IYWNIPOQGBQFDX-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001119911000 779515310 /nfs/dbraw/zinc/51/53/10/779515310.db2.gz CSPWRTBKWNZJSV-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001119911000 779515315 /nfs/dbraw/zinc/51/53/15/779515315.db2.gz CSPWRTBKWNZJSV-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001119895285 779515391 /nfs/dbraw/zinc/51/53/91/779515391.db2.gz IJTGVIVNRKFWJL-OUAUKWLOSA-N 1 1 313.354 -1.499 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001119895285 779515398 /nfs/dbraw/zinc/51/53/98/779515398.db2.gz IJTGVIVNRKFWJL-OUAUKWLOSA-N 1 1 313.354 -1.499 20 0 DAADMO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001120456339 779522094 /nfs/dbraw/zinc/52/20/94/779522094.db2.gz UIMJZRWZHYASJM-XDQVBPFNSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC=C[C@H]1CO ZINC001120490214 779523859 /nfs/dbraw/zinc/52/38/59/779523859.db2.gz DWIZMKCJKOWWAT-KGLIPLIRSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCOC[C@@H]3CCO)C[C@@H]21 ZINC001120508420 779523965 /nfs/dbraw/zinc/52/39/65/779523965.db2.gz OPXIXFWQKKCZSB-AGIUHOORSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1CN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)CCO1 ZINC001120573935 779524981 /nfs/dbraw/zinc/52/49/81/779524981.db2.gz JPZPAAOPWHMRHA-CABCVRRESA-N 1 1 300.447 -1.095 20 0 DAADMO COc1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n(C)n1 ZINC001120869943 779525843 /nfs/dbraw/zinc/52/58/43/779525843.db2.gz GNZRKVQHJSKCKD-VHSXEESVSA-N 1 1 323.353 -1.355 20 0 DAADMO C[C@@H]1CN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCO1 ZINC001120573942 779525881 /nfs/dbraw/zinc/52/58/81/779525881.db2.gz JPZPAAOPWHMRHA-HUUCEWRRSA-N 1 1 300.447 -1.095 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCCNS(C)(=O)=O)CC1 ZINC001120574173 779525972 /nfs/dbraw/zinc/52/59/72/779525972.db2.gz WEBAXACHAINVKP-GFCCVEGCSA-N 1 1 308.448 -1.876 20 0 DAADMO CCc1cc(N[C@H](CO)CNC(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001121017631 779528224 /nfs/dbraw/zinc/52/82/24/779528224.db2.gz HKFRQVSRLWYGJJ-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO CCc1cc(N[C@@H](CO)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001121026088 779529694 /nfs/dbraw/zinc/52/96/94/779529694.db2.gz VXEZTEJEKRVZNN-LLVKDONJSA-N 1 1 320.357 -1.077 20 0 DAADMO COCCOCC[NH+]1CCN(c2nnc(C(N)=O)n2C)CC1 ZINC001121499781 779544636 /nfs/dbraw/zinc/54/46/36/779544636.db2.gz CILCXMVWMIPMNY-UHFFFAOYSA-N 1 1 312.374 -1.301 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)CN2CN=NC2=O)nc(C)[nH+]1 ZINC001121465625 779544873 /nfs/dbraw/zinc/54/48/73/779544873.db2.gz SRDMQLFDASRTKU-JTQLQIEISA-N 1 1 321.341 -1.020 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)CN2CN=NC2=O)nc(C)[nH+]1 ZINC001121465627 779545092 /nfs/dbraw/zinc/54/50/92/779545092.db2.gz SRDMQLFDASRTKU-SNVBAGLBSA-N 1 1 321.341 -1.020 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)Nc1nccn2nnnc12 ZINC001121887884 779550673 /nfs/dbraw/zinc/55/06/73/779550673.db2.gz MDKOBJRQOPHBCY-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122436657 779564941 /nfs/dbraw/zinc/56/49/41/779564941.db2.gz GYKPUOXHOKPXPP-ZJUUUORDSA-N 1 1 308.342 -1.336 20 0 DAADMO Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001122438703 779565642 /nfs/dbraw/zinc/56/56/42/779565642.db2.gz WWLMJRVUVCUPIZ-GHMZBOCLSA-N 1 1 322.369 -1.028 20 0 DAADMO CCc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001122438199 779566139 /nfs/dbraw/zinc/56/61/39/779566139.db2.gz PBLSVRQRCHLIEA-ZJUUUORDSA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001122438704 779566447 /nfs/dbraw/zinc/56/64/47/779566447.db2.gz WWLMJRVUVCUPIZ-MNOVXSKESA-N 1 1 322.369 -1.028 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123072624 779577120 /nfs/dbraw/zinc/57/71/20/779577120.db2.gz UMAYFVIGDHQFSD-SECBINFHSA-N 1 1 310.358 -1.461 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001123243006 779579551 /nfs/dbraw/zinc/57/95/51/779579551.db2.gz VZTOLLRHQXPYRO-UHFFFAOYSA-N 1 1 324.267 -1.891 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)Cn2cnnn2)nn1 ZINC001123313202 779581298 /nfs/dbraw/zinc/58/12/98/779581298.db2.gz ORLYDGDNNJHKNP-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO NC(=O)[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)c1ccc(F)cc1 ZINC001123312564 779581407 /nfs/dbraw/zinc/58/14/07/779581407.db2.gz HGFLBCGWAUNZES-LBPRGKRZSA-N 1 1 321.316 -1.255 20 0 DAADMO NC(=O)[C@H]([NH2+]CCNC(=O)Cn1cnnn1)c1ccc(F)cc1 ZINC001123312563 779581558 /nfs/dbraw/zinc/58/15/58/779581558.db2.gz HGFLBCGWAUNZES-GFCCVEGCSA-N 1 1 321.316 -1.255 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2cnnn2)n1C1CC1 ZINC001123304734 779581695 /nfs/dbraw/zinc/58/16/95/779581695.db2.gz KDAUNIRJDKBQNG-UHFFFAOYSA-N 1 1 305.346 -1.186 20 0 DAADMO O=C(CCn1cncn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123660104 779586098 /nfs/dbraw/zinc/58/60/98/779586098.db2.gz UVZGXTUHRNGRRP-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN(C)S(C)(=O)=O ZINC001123824449 779587128 /nfs/dbraw/zinc/58/71/28/779587128.db2.gz CMPPTEHMFYPKFW-RYUDHWBXSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNC(=O)c1cnccn1 ZINC001123825144 779587355 /nfs/dbraw/zinc/58/73/55/779587355.db2.gz KQAMJWZJRKTWPW-YPMHNXCESA-N 1 1 318.381 -1.289 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)CCCN3C(=O)CNC3=O)CC2)C1 ZINC001124020325 779589805 /nfs/dbraw/zinc/58/98/05/779589805.db2.gz HNARHTOZFWKMFH-UHFFFAOYSA-N 1 1 323.397 -1.223 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124084777 779590852 /nfs/dbraw/zinc/59/08/52/779590852.db2.gz SSCOZJMDALSBRJ-UHFFFAOYSA-N 1 1 322.369 -1.460 20 0 DAADMO Cc1cc(NC(=O)C[NH2+]CCNC(=O)CS(C)(=O)=O)no1 ZINC001124362036 779596013 /nfs/dbraw/zinc/59/60/13/779596013.db2.gz GQFCOJYWCMZNRT-UHFFFAOYSA-N 1 1 318.355 -1.328 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001124355639 779596291 /nfs/dbraw/zinc/59/62/91/779596291.db2.gz HKYVXHILJXKEKD-UHFFFAOYSA-N 1 1 320.396 -1.168 20 0 DAADMO Cn1cc(CC(=O)NCC[NH2+]Cc2nnc3n2CCOC3)cn1 ZINC001124606607 779599871 /nfs/dbraw/zinc/59/98/71/779599871.db2.gz HZRLDJQVWRVTSR-UHFFFAOYSA-N 1 1 319.369 -1.010 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001125085532 779606887 /nfs/dbraw/zinc/60/68/87/779606887.db2.gz YQZSKMAVFJENAE-JTQLQIEISA-N 1 1 310.358 -1.604 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CN(C)CCO2)n1C ZINC001125213635 779608387 /nfs/dbraw/zinc/60/83/87/779608387.db2.gz JLLPWQPRJCUISB-LLVKDONJSA-N 1 1 310.402 -1.086 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149159945 779613627 /nfs/dbraw/zinc/61/36/27/779613627.db2.gz NUSXTUMTHUJFOS-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cccn1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149160717 779615564 /nfs/dbraw/zinc/61/55/64/779615564.db2.gz YEYNBVTUSFXOHC-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1cccn1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149160717 779615568 /nfs/dbraw/zinc/61/55/68/779615568.db2.gz YEYNBVTUSFXOHC-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCOCCS(N)(=O)=O)C1 ZINC001140237632 779616232 /nfs/dbraw/zinc/61/62/32/779616232.db2.gz WXBNLRKZNLRXNF-UHFFFAOYSA-N 1 1 322.431 -2.099 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC001142136810 779620226 /nfs/dbraw/zinc/62/02/26/779620226.db2.gz NFOUBMHXFYQIAK-CHWSQXEVSA-N 1 1 324.385 -1.131 20 0 DAADMO COc1cc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccn1 ZINC001142237499 779620935 /nfs/dbraw/zinc/62/09/35/779620935.db2.gz XMYQXPUZQAERPP-HZSPNIEDSA-N 1 1 306.370 -1.458 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001143230775 779626849 /nfs/dbraw/zinc/62/68/49/779626849.db2.gz DVFOTLDJWNALRB-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001143230733 779626969 /nfs/dbraw/zinc/62/69/69/779626969.db2.gz LNPOQJIEBHZDBP-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001143230470 779627288 /nfs/dbraw/zinc/62/72/88/779627288.db2.gz JRMFTFMSNWSCLU-UHFFFAOYSA-N 1 1 304.416 -1.616 20 0 DAADMO COC(=O)[C@@H]1CN(C)CCN1C(=O)CC[NH+]1CCN(C)CC1 ZINC001143230620 779627347 /nfs/dbraw/zinc/62/73/47/779627347.db2.gz DOHGLRHUUPBSQI-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc2ccccn12 ZINC001149275605 779628707 /nfs/dbraw/zinc/62/87/07/779628707.db2.gz ADWSSMBPUOGNAZ-AGIUHOORSA-N 1 1 301.354 -1.225 20 0 DAADMO COCCOCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149424202 779629890 /nfs/dbraw/zinc/62/98/90/779629890.db2.gz KYUQBIIQHYODDP-VXGBXAGGSA-N 1 1 317.386 -1.270 20 0 DAADMO COCCOCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149424202 779629898 /nfs/dbraw/zinc/62/98/98/779629898.db2.gz KYUQBIIQHYODDP-VXGBXAGGSA-N 1 1 317.386 -1.270 20 0 DAADMO COCCOCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149424200 779629967 /nfs/dbraw/zinc/62/99/67/779629967.db2.gz KYUQBIIQHYODDP-NWDGAFQWSA-N 1 1 317.386 -1.270 20 0 DAADMO COCCOCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149424200 779629971 /nfs/dbraw/zinc/62/99/71/779629971.db2.gz KYUQBIIQHYODDP-NWDGAFQWSA-N 1 1 317.386 -1.270 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001149432074 779631247 /nfs/dbraw/zinc/63/12/47/779631247.db2.gz HBCGWVWHLWQCAZ-UHFFFAOYSA-N 1 1 304.376 -1.790 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C)c1nnnn1C ZINC001149463416 779631450 /nfs/dbraw/zinc/63/14/50/779631450.db2.gz AQZLMUUTXGNDNX-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149473304 779632389 /nfs/dbraw/zinc/63/23/89/779632389.db2.gz KSQQJTNNKYFLNM-WDEREUQCSA-N 1 1 303.359 -1.924 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149465554 779632476 /nfs/dbraw/zinc/63/24/76/779632476.db2.gz DLAXMFIYHSZSJA-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149465554 779632479 /nfs/dbraw/zinc/63/24/79/779632479.db2.gz DLAXMFIYHSZSJA-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO COCCOCC[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466139 779632754 /nfs/dbraw/zinc/63/27/54/779632754.db2.gz NPXSSFHMLJGFNL-GFCCVEGCSA-N 1 1 317.386 -1.268 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCCO1 ZINC001149466501 779632975 /nfs/dbraw/zinc/63/29/75/779632975.db2.gz VMLSZBSSIBUFEK-GHMZBOCLSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCCO1 ZINC001149466501 779632976 /nfs/dbraw/zinc/63/29/76/779632976.db2.gz VMLSZBSSIBUFEK-GHMZBOCLSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)CCCO1 ZINC001149465831 779633014 /nfs/dbraw/zinc/63/30/14/779633014.db2.gz HRNGYGULHDLOSS-LLVKDONJSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCCO1 ZINC001149465831 779633019 /nfs/dbraw/zinc/63/30/19/779633019.db2.gz HRNGYGULHDLOSS-LLVKDONJSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)CCCO1 ZINC001149466747 779633026 /nfs/dbraw/zinc/63/30/26/779633026.db2.gz ZQGOXJCPGRIFRZ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCCO1 ZINC001149466747 779633029 /nfs/dbraw/zinc/63/30/29/779633029.db2.gz ZQGOXJCPGRIFRZ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466637 779633047 /nfs/dbraw/zinc/63/30/47/779633047.db2.gz XDIQEUPKAUIBBG-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466637 779633050 /nfs/dbraw/zinc/63/30/50/779633050.db2.gz XDIQEUPKAUIBBG-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)nn1 ZINC001149529593 779633558 /nfs/dbraw/zinc/63/35/58/779633558.db2.gz ASSPVMNQSIGPLH-ZDUSSCGKSA-N 1 1 324.385 -1.249 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)=O)CCO2)n1 ZINC001149531020 779633927 /nfs/dbraw/zinc/63/39/27/779633927.db2.gz PZOQDQVKWYRHII-ZDUSSCGKSA-N 1 1 324.385 -1.249 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149489309 779634153 /nfs/dbraw/zinc/63/41/53/779634153.db2.gz ILBSQNZMPUEJOR-NXEZZACHSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149489309 779634156 /nfs/dbraw/zinc/63/41/56/779634156.db2.gz ILBSQNZMPUEJOR-NXEZZACHSA-N 1 1 300.359 -1.667 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149490685 779634333 /nfs/dbraw/zinc/63/43/33/779634333.db2.gz UVHZCEJTNLYAAN-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149490685 779634337 /nfs/dbraw/zinc/63/43/37/779634337.db2.gz UVHZCEJTNLYAAN-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149573648 779635227 /nfs/dbraw/zinc/63/52/27/779635227.db2.gz OHPNQEOSPBUPDG-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149573648 779635235 /nfs/dbraw/zinc/63/52/35/779635235.db2.gz OHPNQEOSPBUPDG-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001149547131 779635850 /nfs/dbraw/zinc/63/58/50/779635850.db2.gz ZHEIUWRVQWYXCS-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149599010 779636943 /nfs/dbraw/zinc/63/69/43/779636943.db2.gz CSINRQKIOJOTDB-GFCCVEGCSA-N 1 1 317.386 -1.662 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+][C@@H](C)c2nnnn2C)c(=O)n1C ZINC001149576594 779637415 /nfs/dbraw/zinc/63/74/15/779637415.db2.gz JLXJJPWRWNYXKZ-QMMMGPOBSA-N 1 1 323.361 -2.119 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+][C@H](C)c2nncn2C)c(=O)n1C ZINC001149577253 779637563 /nfs/dbraw/zinc/63/75/63/779637563.db2.gz XHIHLFRBPGFOIY-SECBINFHSA-N 1 1 322.373 -1.514 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001149580344 779637643 /nfs/dbraw/zinc/63/76/43/779637643.db2.gz STUNSUYZOLRTMK-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CNc1ccc2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2n1 ZINC001149640844 779638312 /nfs/dbraw/zinc/63/83/12/779638312.db2.gz CPTQMBKIACEMMY-SRVKXCTJSA-N 1 1 317.357 -2.096 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)CCCO1 ZINC001149599927 779638739 /nfs/dbraw/zinc/63/87/39/779638739.db2.gz MQKSKANXBKQDPF-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149721678 779640246 /nfs/dbraw/zinc/64/02/46/779640246.db2.gz PJHNWUUTRWQURS-QWHCGFSZSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149738646 779640890 /nfs/dbraw/zinc/64/08/90/779640890.db2.gz GJGZNOCWDZINHH-WDEREUQCSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149738646 779640893 /nfs/dbraw/zinc/64/08/93/779640893.db2.gz GJGZNOCWDZINHH-WDEREUQCSA-N 1 1 323.357 -2.231 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740621 779641014 /nfs/dbraw/zinc/64/10/14/779641014.db2.gz ZHOYVBKYKCKDJF-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)NC(N)=O ZINC001149720963 779641167 /nfs/dbraw/zinc/64/11/67/779641167.db2.gz GTVNQHXGDUPGHT-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738624 779641335 /nfs/dbraw/zinc/64/13/35/779641335.db2.gz FRGMDRRBYJWURL-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCCO1 ZINC001149740467 779641372 /nfs/dbraw/zinc/64/13/72/779641372.db2.gz ZBKBDYJMUFGYGJ-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804527 779642299 /nfs/dbraw/zinc/64/22/99/779642299.db2.gz QCQRFEWRKGTMBH-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804527 779642301 /nfs/dbraw/zinc/64/23/01/779642301.db2.gz QCQRFEWRKGTMBH-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804587 779642515 /nfs/dbraw/zinc/64/25/15/779642515.db2.gz RMNAIJAMTMXIPL-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149804587 779642518 /nfs/dbraw/zinc/64/25/18/779642518.db2.gz RMNAIJAMTMXIPL-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO O=C(Cn1nccn1)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149795560 779643376 /nfs/dbraw/zinc/64/33/76/779643376.db2.gz DCRKNSIFMMOHIA-VXGBXAGGSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1nccn1)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149795560 779643380 /nfs/dbraw/zinc/64/33/80/779643380.db2.gz DCRKNSIFMMOHIA-VXGBXAGGSA-N 1 1 322.369 -1.626 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149915683 779644284 /nfs/dbraw/zinc/64/42/84/779644284.db2.gz VBTGNGYKPJEGPD-UHFFFAOYSA-N 1 1 322.369 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccco1 ZINC001149883460 779644534 /nfs/dbraw/zinc/64/45/34/779644534.db2.gz DKAWZKMIKDKSSD-UHFFFAOYSA-N 1 1 307.314 -1.561 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149854808 779644891 /nfs/dbraw/zinc/64/48/91/779644891.db2.gz QMNFISARLGZIHV-UWVGGRQHSA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861387 779644913 /nfs/dbraw/zinc/64/49/13/779644913.db2.gz OVKWOYPSTIZBMG-VHSXEESVSA-N 1 1 314.386 -1.421 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001149861387 779644916 /nfs/dbraw/zinc/64/49/16/779644916.db2.gz OVKWOYPSTIZBMG-VHSXEESVSA-N 1 1 314.386 -1.421 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150022543 779645883 /nfs/dbraw/zinc/64/58/83/779645883.db2.gz OTLSRGQYIGBRGB-JTQLQIEISA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150022544 779646353 /nfs/dbraw/zinc/64/63/53/779646353.db2.gz OTLSRGQYIGBRGB-SNVBAGLBSA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C(C)C)CCCO1 ZINC001150023846 779646723 /nfs/dbraw/zinc/64/67/23/779646723.db2.gz YGKDLZMIDYHKJU-LLVKDONJSA-N 1 1 322.431 -1.344 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCC(=O)N2CCOCC2)n1 ZINC001150051867 779647775 /nfs/dbraw/zinc/64/77/75/779647775.db2.gz NJGISEWRGBJYJC-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150079816 779648185 /nfs/dbraw/zinc/64/81/85/779648185.db2.gz XGFGGHDBZQIMSE-LBPRGKRZSA-N 1 1 316.377 -1.405 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150079816 779648191 /nfs/dbraw/zinc/64/81/91/779648191.db2.gz XGFGGHDBZQIMSE-LBPRGKRZSA-N 1 1 316.377 -1.405 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202331 779648786 /nfs/dbraw/zinc/64/87/86/779648786.db2.gz GCXRFLRYTCTDKZ-ZJUUUORDSA-N 1 1 312.370 -1.667 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202331 779648790 /nfs/dbraw/zinc/64/87/90/779648790.db2.gz GCXRFLRYTCTDKZ-ZJUUUORDSA-N 1 1 312.370 -1.667 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150142706 779648930 /nfs/dbraw/zinc/64/89/30/779648930.db2.gz YLOPQCVJUNJMIP-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCCC2)CCCO1 ZINC001150211684 779648944 /nfs/dbraw/zinc/64/89/44/779648944.db2.gz KKNIRKXZNCSLPQ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCCO1 ZINC001150211684 779648948 /nfs/dbraw/zinc/64/89/48/779648948.db2.gz KKNIRKXZNCSLPQ-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO Cn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)cc1=O ZINC001150212564 779649298 /nfs/dbraw/zinc/64/92/98/779649298.db2.gz RTLCJCZLLJXYTF-GFCCVEGCSA-N 1 1 322.365 -1.422 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212209 779649671 /nfs/dbraw/zinc/64/96/71/779649671.db2.gz PGSMRSNOEMVCRQ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212209 779649674 /nfs/dbraw/zinc/64/96/74/779649674.db2.gz PGSMRSNOEMVCRQ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232467 779650462 /nfs/dbraw/zinc/65/04/62/779650462.db2.gz FKACPZZEKOBEMW-QWRGUYRKSA-N 1 1 314.386 -1.277 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220238 779650533 /nfs/dbraw/zinc/65/05/33/779650533.db2.gz UAHOLGABKPZDBV-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213278 779650847 /nfs/dbraw/zinc/65/08/47/779650847.db2.gz YHMMLYXDATXCPL-GFCCVEGCSA-N 1 1 309.370 -1.079 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213278 779650852 /nfs/dbraw/zinc/65/08/52/779650852.db2.gz YHMMLYXDATXCPL-GFCCVEGCSA-N 1 1 309.370 -1.079 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220449 779650915 /nfs/dbraw/zinc/65/09/15/779650915.db2.gz WQVRIKQMGQXCFO-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220449 779650916 /nfs/dbraw/zinc/65/09/16/779650916.db2.gz WQVRIKQMGQXCFO-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](CCN2CCCC2=O)CCCO1 ZINC001150220289 779650924 /nfs/dbraw/zinc/65/09/24/779650924.db2.gz VCADPUQCGWDLGK-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220450 779651015 /nfs/dbraw/zinc/65/10/15/779651015.db2.gz WQVRIKQMGQXCFO-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220450 779651017 /nfs/dbraw/zinc/65/10/17/779651017.db2.gz WQVRIKQMGQXCFO-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150217631 779651189 /nfs/dbraw/zinc/65/11/89/779651189.db2.gz AFSQOWNZXNHKBC-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150217631 779651192 /nfs/dbraw/zinc/65/11/92/779651192.db2.gz AFSQOWNZXNHKBC-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232465 779651286 /nfs/dbraw/zinc/65/12/86/779651286.db2.gz FKACPZZEKOBEMW-GHMZBOCLSA-N 1 1 314.386 -1.277 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)CCCO1 ZINC001150219648 779651309 /nfs/dbraw/zinc/65/13/09/779651309.db2.gz PSTXHPMKQVVTDY-LLVKDONJSA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)CCCO1 ZINC001150219648 779651314 /nfs/dbraw/zinc/65/13/14/779651314.db2.gz PSTXHPMKQVVTDY-LLVKDONJSA-N 1 1 312.370 -1.795 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220451 779651439 /nfs/dbraw/zinc/65/14/39/779651439.db2.gz WQVRIKQMGQXCFO-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220451 779651443 /nfs/dbraw/zinc/65/14/43/779651443.db2.gz WQVRIKQMGQXCFO-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cn1cncn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001150262268 779652466 /nfs/dbraw/zinc/65/24/66/779652466.db2.gz WLFUHNGAQQKCKH-UHFFFAOYSA-N 1 1 306.330 -1.694 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150233466 779652666 /nfs/dbraw/zinc/65/26/66/779652666.db2.gz ORMKWHHVPQPPCD-ONGXEEELSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150233466 779652669 /nfs/dbraw/zinc/65/26/69/779652669.db2.gz ORMKWHHVPQPPCD-ONGXEEELSA-N 1 1 312.370 -1.654 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001150338978 779653300 /nfs/dbraw/zinc/65/33/00/779653300.db2.gz HWVKLCNRSSMLLF-UHFFFAOYSA-N 1 1 308.342 -1.339 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150331128 779653444 /nfs/dbraw/zinc/65/34/44/779653444.db2.gz GAGDWSVBQJDPNL-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC001150332488 779653493 /nfs/dbraw/zinc/65/34/93/779653493.db2.gz WPQSTDOAZPUAOQ-UHFFFAOYSA-N 1 1 309.330 -1.787 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1nnnn1C ZINC001150332039 779653833 /nfs/dbraw/zinc/65/38/33/779653833.db2.gz QSJMGSABZGGLDY-ZETCQYMHSA-N 1 1 310.318 -2.471 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1nncn1C ZINC001150331078 779653996 /nfs/dbraw/zinc/65/39/96/779653996.db2.gz FBYSRCJEGUMIMQ-QMMMGPOBSA-N 1 1 309.330 -1.866 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001150339611 779654955 /nfs/dbraw/zinc/65/49/55/779654955.db2.gz OTYDTUPSOYAQBA-MRVPVSSYSA-N 1 1 323.357 -1.314 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150398860 779656493 /nfs/dbraw/zinc/65/64/93/779656493.db2.gz CFNFDRZQGCXVPQ-MRVPVSSYSA-N 1 1 309.330 -1.991 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150398861 779656520 /nfs/dbraw/zinc/65/65/20/779656520.db2.gz CFNFDRZQGCXVPQ-QMMMGPOBSA-N 1 1 309.330 -1.991 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400657 779656635 /nfs/dbraw/zinc/65/66/35/779656635.db2.gz PKCPSVPVONCZQB-ZETCQYMHSA-N 1 1 310.318 -2.596 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O)c1nnnn1C ZINC001150399057 779656896 /nfs/dbraw/zinc/65/68/96/779656896.db2.gz DTQOAVOXVSKKRW-SFYZADRCSA-N 1 1 324.345 -2.035 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001150411073 779657916 /nfs/dbraw/zinc/65/79/16/779657916.db2.gz SUJUHBZDSTZLRB-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150401756 779657978 /nfs/dbraw/zinc/65/79/78/779657978.db2.gz ZBBOJLQXNBEXCZ-SECBINFHSA-N 1 1 323.357 -1.508 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001150401682 779658089 /nfs/dbraw/zinc/65/80/89/779658089.db2.gz YWJVCJMZTSWDKC-SNVBAGLBSA-N 1 1 323.357 -1.508 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001150436990 779658841 /nfs/dbraw/zinc/65/88/41/779658841.db2.gz AAFZFOBMKOHXEG-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)nn1 ZINC001150467888 779660136 /nfs/dbraw/zinc/66/01/36/779660136.db2.gz YNEPCERHDOYJLM-UHFFFAOYSA-N 1 1 308.342 -1.347 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001150461555 779660256 /nfs/dbraw/zinc/66/02/56/779660256.db2.gz GHBBUYNTXIQQKA-GHMZBOCLSA-N 1 1 314.342 -1.102 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150472145 779660415 /nfs/dbraw/zinc/66/04/15/779660415.db2.gz FJNQFNFKDHPCEQ-UHFFFAOYSA-N 1 1 308.342 -1.347 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCCO1)c1nnc[nH]1 ZINC001150461427 779660765 /nfs/dbraw/zinc/66/07/65/779660765.db2.gz CTQNVJLUYKVDGL-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCOCCO)CCCO1)c1ncn[nH]1 ZINC001150461427 779660771 /nfs/dbraw/zinc/66/07/71/779660771.db2.gz CTQNVJLUYKVDGL-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCCO1)c1ncn[nH]1 ZINC001150461427 779660775 /nfs/dbraw/zinc/66/07/75/779660775.db2.gz CTQNVJLUYKVDGL-LLVKDONJSA-N 1 1 313.358 -1.366 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496537 779661595 /nfs/dbraw/zinc/66/15/95/779661595.db2.gz CCBHXXUBWKVNRO-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CCCN2C(=O)CNC2=O)n1 ZINC001150532892 779661829 /nfs/dbraw/zinc/66/18/29/779661829.db2.gz LQJQRXIFAUGMMP-UHFFFAOYSA-N 1 1 322.369 -1.042 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCCN2C(=O)CNC2=O)nn1 ZINC001150532795 779661959 /nfs/dbraw/zinc/66/19/59/779661959.db2.gz GKMRXBRERDJFML-UHFFFAOYSA-N 1 1 323.357 -1.647 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150517524 779662143 /nfs/dbraw/zinc/66/21/43/779662143.db2.gz JYDZLMWXGCUZBM-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C1CCN(C(N)=O)CC1)c1nnnn1C ZINC001150517599 779662403 /nfs/dbraw/zinc/66/24/03/779662403.db2.gz NNIHIZVOCRVRPD-VIFPVBQESA-N 1 1 324.389 -1.232 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001150496539 779662497 /nfs/dbraw/zinc/66/24/97/779662497.db2.gz CCBHXXUBWKVNRO-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579565 779663099 /nfs/dbraw/zinc/66/30/99/779663099.db2.gz NPDREYSCSBCFCG-QWRGUYRKSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579565 779663101 /nfs/dbraw/zinc/66/31/01/779663101.db2.gz NPDREYSCSBCFCG-QWRGUYRKSA-N 1 1 324.385 -1.182 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150653066 779664093 /nfs/dbraw/zinc/66/40/93/779664093.db2.gz JNEGJGGFUJJVST-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150691417 779664484 /nfs/dbraw/zinc/66/44/84/779664484.db2.gz CBQXMBSLPGYOOJ-NSHDSACASA-N 1 1 302.375 -1.366 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150684822 779664788 /nfs/dbraw/zinc/66/47/88/779664788.db2.gz AYBLUZISGFGJCF-JTQLQIEISA-N 1 1 316.333 -1.285 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150684822 779664791 /nfs/dbraw/zinc/66/47/91/779664791.db2.gz AYBLUZISGFGJCF-JTQLQIEISA-N 1 1 316.333 -1.285 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699738 779665041 /nfs/dbraw/zinc/66/50/41/779665041.db2.gz NKJSDHHPFYBMMQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699738 779665046 /nfs/dbraw/zinc/66/50/46/779665046.db2.gz NKJSDHHPFYBMMQ-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CCCn1nc(C(=O)NCC[NH2+]Cc2nnnn2C)ccc1=O ZINC001150684943 779665210 /nfs/dbraw/zinc/66/52/10/779665210.db2.gz CCXSUFDGCRVRIR-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)nn1 ZINC001150833540 779666511 /nfs/dbraw/zinc/66/65/11/779666511.db2.gz YQQCNBUUYXGKBP-CYBMUJFWSA-N 1 1 311.386 -1.053 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150830746 779666663 /nfs/dbraw/zinc/66/66/63/779666663.db2.gz IWPOQKCVYJBAPT-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150731111 779666774 /nfs/dbraw/zinc/66/67/74/779666774.db2.gz CYQNMMUIDOZUEM-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150731975 779667212 /nfs/dbraw/zinc/66/72/12/779667212.db2.gz WBJILONDDFZGFJ-JTQLQIEISA-N 1 1 311.379 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150731975 779667215 /nfs/dbraw/zinc/66/72/15/779667215.db2.gz WBJILONDDFZGFJ-JTQLQIEISA-N 1 1 311.379 -1.288 20 0 DAADMO Cc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cn2c1 ZINC001150893919 779667595 /nfs/dbraw/zinc/66/75/95/779667595.db2.gz ZQZHCTFEMRLSFI-FRRDWIJNSA-N 1 1 301.354 -1.225 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)nn1 ZINC001150984338 779669235 /nfs/dbraw/zinc/66/92/35/779669235.db2.gz RAOVSLADXMMVMV-UHFFFAOYSA-N 1 1 321.341 -1.383 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2cnns2)c(=O)[nH]c1=O ZINC001150983931 779669373 /nfs/dbraw/zinc/66/93/73/779669373.db2.gz ILDMKZGSPYRRSE-UHFFFAOYSA-N 1 1 310.339 -1.143 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc(=O)ccc3c2)[C@H]2NCN[C@@H]21 ZINC001151004613 779669396 /nfs/dbraw/zinc/66/93/96/779669396.db2.gz JEOVKUGEHAPEAL-MGPQQGTHSA-N 1 1 315.333 -1.074 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CN2CCCC2)cc(=O)n(C)c1=O ZINC001151106542 779671419 /nfs/dbraw/zinc/67/14/19/779671419.db2.gz BIJBONBDFCYGMI-UHFFFAOYSA-N 1 1 323.397 -1.614 20 0 DAADMO O=C(CN1CCCC1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001151098052 779671730 /nfs/dbraw/zinc/67/17/30/779671730.db2.gz SODVDKBAEWXBMU-UHFFFAOYSA-N 1 1 318.443 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151159261 779672935 /nfs/dbraw/zinc/67/29/35/779672935.db2.gz RFKMHGXTACDWPG-VXGBXAGGSA-N 1 1 300.403 -1.205 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151159252 779673121 /nfs/dbraw/zinc/67/31/21/779673121.db2.gz RFKMHGXTACDWPG-NEPJUHHUSA-N 1 1 300.403 -1.205 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001151157377 779673305 /nfs/dbraw/zinc/67/33/05/779673305.db2.gz KQGBCIMICBEUJB-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001151156474 779673478 /nfs/dbraw/zinc/67/34/78/779673478.db2.gz DHLFMULMIJXXFJ-GFCCVEGCSA-N 1 1 310.402 -1.011 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001151159913 779673584 /nfs/dbraw/zinc/67/35/84/779673584.db2.gz VIZLWQMRVBLMKV-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)on1 ZINC001151299832 779674500 /nfs/dbraw/zinc/67/45/00/779674500.db2.gz GWFIOMNVYKRYNK-VIFPVBQESA-N 1 1 318.355 -1.419 20 0 DAADMO COCCC1(NC(=O)C(N)=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001151282027 779674553 /nfs/dbraw/zinc/67/45/53/779674553.db2.gz VWSMQNHWVXBYNI-VIFPVBQESA-N 1 1 300.359 -1.667 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151299593 779674584 /nfs/dbraw/zinc/67/45/84/779674584.db2.gz FGCZPIUKVQYFSY-SNVBAGLBSA-N 1 1 301.372 -1.682 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)co1 ZINC001151299596 779674634 /nfs/dbraw/zinc/67/46/34/779674634.db2.gz FGYSQIOFLZYUTP-SNVBAGLBSA-N 1 1 302.356 -1.119 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)nc1 ZINC001151299893 779674725 /nfs/dbraw/zinc/67/47/25/779674725.db2.gz IOVSJWQRNSFPSY-JTQLQIEISA-N 1 1 313.383 -1.317 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001151372967 779676965 /nfs/dbraw/zinc/67/69/65/779676965.db2.gz HVNPZOYHYSMCSU-UHFFFAOYSA-N 1 1 317.375 -2.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001151379590 779677953 /nfs/dbraw/zinc/67/79/53/779677953.db2.gz LEDDICUKSZIUPT-MRVPVSSYSA-N 1 1 304.376 -1.869 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CS(=O)(=O)NC)nn1 ZINC001151391057 779678032 /nfs/dbraw/zinc/67/80/32/779678032.db2.gz XAXGSXVXFWWLQF-UHFFFAOYSA-N 1 1 304.376 -1.947 20 0 DAADMO COCCC1(NC(=O)Cn2cncn2)CC[NH+](CC(N)=O)CC1 ZINC001151406594 779678331 /nfs/dbraw/zinc/67/83/31/779678331.db2.gz RIORTJGOAKIUSF-UHFFFAOYSA-N 1 1 324.385 -1.249 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1csnc1OC ZINC001151379704 779678347 /nfs/dbraw/zinc/67/83/47/779678347.db2.gz PGXWRBBPNBULOY-UHFFFAOYSA-N 1 1 322.412 -1.093 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)CC(C)(C)C ZINC001151465444 779679147 /nfs/dbraw/zinc/67/91/47/779679147.db2.gz AAPBXRWAQDVIBK-UHFFFAOYSA-N 1 1 311.390 -1.032 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)nn1 ZINC001151585632 779679276 /nfs/dbraw/zinc/67/92/76/779679276.db2.gz FDPFSGVTNKWNIK-CYBMUJFWSA-N 1 1 324.385 -1.249 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001151587880 779680661 /nfs/dbraw/zinc/68/06/61/779680661.db2.gz WLKJNOXVSYAVTN-NSHDSACASA-N 1 1 310.358 -1.434 20 0 DAADMO COc1cc2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)[nH]c2cn1 ZINC001151646405 779681012 /nfs/dbraw/zinc/68/10/12/779681012.db2.gz ORWNWSSSZBRGOB-FRRDWIJNSA-N 1 1 317.353 -1.296 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151588214 779681138 /nfs/dbraw/zinc/68/11/38/779681138.db2.gz YDVAONVKKSJNEV-LBPRGKRZSA-N 1 1 310.358 -1.732 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151588167 779681306 /nfs/dbraw/zinc/68/13/06/779681306.db2.gz XCTABMOQTYUBQN-LBPRGKRZSA-N 1 1 324.385 -1.249 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1noc2c1COCC2 ZINC001151693911 779681847 /nfs/dbraw/zinc/68/18/47/779681847.db2.gz XTYMSFJKGCYBRF-UHFFFAOYSA-N 1 1 307.314 -1.210 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN[C@@H](C)c2nnnn2C)C1 ZINC001151736894 779682678 /nfs/dbraw/zinc/68/26/78/779682678.db2.gz AKIQJKVOIYWSET-QWRGUYRKSA-N 1 1 311.390 -1.302 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN[C@@H](C)c2nnnn2C)C1 ZINC001151736894 779682681 /nfs/dbraw/zinc/68/26/81/779682681.db2.gz AKIQJKVOIYWSET-QWRGUYRKSA-N 1 1 311.390 -1.302 20 0 DAADMO Cn1ccc2c1nccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001151803716 779683662 /nfs/dbraw/zinc/68/36/62/779683662.db2.gz DTLJJSSIWCVBHU-MDZLAQPJSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001151748548 779684024 /nfs/dbraw/zinc/68/40/24/779684024.db2.gz GWBIGWMOUDREKP-LBPRGKRZSA-N 1 1 323.401 -1.066 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001151748548 779684025 /nfs/dbraw/zinc/68/40/25/779684025.db2.gz GWBIGWMOUDREKP-LBPRGKRZSA-N 1 1 323.401 -1.066 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814178 779684140 /nfs/dbraw/zinc/68/41/40/779684140.db2.gz SRESTAPJODELAH-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814178 779684144 /nfs/dbraw/zinc/68/41/44/779684144.db2.gz SRESTAPJODELAH-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1=O ZINC001151817717 779684205 /nfs/dbraw/zinc/68/42/05/779684205.db2.gz SMWIWFQQANIENK-CYBMUJFWSA-N 1 1 314.342 -2.216 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151813634 779684456 /nfs/dbraw/zinc/68/44/56/779684456.db2.gz HELJUCZTCBHNGA-LLVKDONJSA-N 1 1 300.363 -1.491 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cccnc2C(N)=O)nn1 ZINC001151967019 779685205 /nfs/dbraw/zinc/68/52/05/779685205.db2.gz IPVNGVASCYKWAA-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccc3[nH]c2=O)[C@H]2NCN[C@H]21 ZINC001151864384 779685320 /nfs/dbraw/zinc/68/53/20/779685320.db2.gz ZHVGBAZHJLTYFZ-MVWJERBFSA-N 1 1 315.337 -1.944 20 0 DAADMO CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001151876530 779685762 /nfs/dbraw/zinc/68/57/62/779685762.db2.gz ISXOARVUICDHNI-CABZTGNLSA-N 1 1 311.390 -1.033 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3n[nH]cc3c2F)[C@@H]2NCN[C@H]21 ZINC001151846327 779685969 /nfs/dbraw/zinc/68/59/69/779685969.db2.gz KBLXXVZJUVQXJW-TUAOUCFPSA-N 1 1 305.317 -1.165 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152149074 779686446 /nfs/dbraw/zinc/68/64/46/779686446.db2.gz UGLRCBQBZWVDIW-VIFPVBQESA-N 1 1 305.346 -1.730 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCS(=O)(=O)N(C)C)[nH]1 ZINC001152084712 779686603 /nfs/dbraw/zinc/68/66/03/779686603.db2.gz UTVFNEPXMVWJJZ-UHFFFAOYSA-N 1 1 318.403 -1.400 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1)c1nnnn1C ZINC001152154693 779687025 /nfs/dbraw/zinc/68/70/25/779687025.db2.gz BXWDZAABMHMVCD-VHSXEESVSA-N 1 1 319.373 -1.169 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001152084069 779687240 /nfs/dbraw/zinc/68/72/40/779687240.db2.gz GSURLYOYAXUZER-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2nncn2C1)c1nnnn1C ZINC001152154697 779687386 /nfs/dbraw/zinc/68/73/86/779687386.db2.gz BXWDZAABMHMVCD-ZJUUUORDSA-N 1 1 319.373 -1.169 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)[nH]1 ZINC001152254277 779689136 /nfs/dbraw/zinc/68/91/36/779689136.db2.gz CQQSBADUFUWLKD-UHFFFAOYSA-N 1 1 321.345 -2.273 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)n1 ZINC001152254482 779689200 /nfs/dbraw/zinc/68/92/00/779689200.db2.gz NHYAJUBYESHGDU-UHFFFAOYSA-N 1 1 321.345 -2.571 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)co1 ZINC001152254244 779689776 /nfs/dbraw/zinc/68/97/76/779689776.db2.gz BLAMSBSPIOEFMQ-UHFFFAOYSA-N 1 1 321.341 -1.403 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)s1 ZINC001152409609 779690874 /nfs/dbraw/zinc/69/08/74/779690874.db2.gz JPCKAQKGINETGH-UHFFFAOYSA-N 1 1 324.370 -1.557 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152409989 779691408 /nfs/dbraw/zinc/69/14/08/779691408.db2.gz RXFDFHNKKNOYGU-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO CC[N@@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)CC(N)=O ZINC001152506891 779694354 /nfs/dbraw/zinc/69/43/54/779694354.db2.gz MWBXCIDHQOONQV-NEPJUHHUSA-N 1 1 319.402 -1.288 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H]2NCN[C@@H]21 ZINC001152510580 779694494 /nfs/dbraw/zinc/69/44/94/779694494.db2.gz GYWYWOFBBLDBRZ-IWSPIJDZSA-N 1 1 323.382 -2.518 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(=O)cc[nH]c3c2)[C@@H]2NCN[C@@H]21 ZINC001152572887 779694540 /nfs/dbraw/zinc/69/45/40/779694540.db2.gz VSZFSTAGLCNXNV-MCIONIFRSA-N 1 1 314.349 -1.339 20 0 DAADMO CC[N@@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152507277 779694693 /nfs/dbraw/zinc/69/46/93/779694693.db2.gz WZHXJPZKWGZJCV-LLVKDONJSA-N 1 1 316.402 -1.159 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)n(C)c1=O ZINC001152691414 779695594 /nfs/dbraw/zinc/69/55/94/779695594.db2.gz MLEMSZRZZUZGFY-UHFFFAOYSA-N 1 1 320.357 -1.435 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)c1ncn2c1nnn(C)c2=O ZINC001152754392 779697732 /nfs/dbraw/zinc/69/77/32/779697732.db2.gz DXKLDHAUCNMIGL-UHFFFAOYSA-N 1 1 302.298 -1.242 20 0 DAADMO CN1c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ccc2CC1=O ZINC001152828893 779698666 /nfs/dbraw/zinc/69/86/66/779698666.db2.gz DQPNFLPKHBVDLL-MELADBBJSA-N 1 1 316.365 -1.662 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1COCCN1C ZINC001152834955 779698768 /nfs/dbraw/zinc/69/87/68/779698768.db2.gz GDCRMYRFGUQZHH-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1COCCN1C ZINC001152834955 779698770 /nfs/dbraw/zinc/69/87/70/779698770.db2.gz GDCRMYRFGUQZHH-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)CNC3=O)[C@@H]2NCN[C@@H]21 ZINC001152779861 779698782 /nfs/dbraw/zinc/69/87/82/779698782.db2.gz DDBBVPYDURHUMR-UTUOFQBUSA-N 1 1 302.338 -1.937 20 0 DAADMO CC(=O)N[C@](C)(C(=O)NCC[NH2+]Cc1nnnn1C)C(C)C ZINC001152884326 779699518 /nfs/dbraw/zinc/69/95/18/779699518.db2.gz HSYCAXHFQGPCNP-ZDUSSCGKSA-N 1 1 311.390 -1.033 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926673 779699670 /nfs/dbraw/zinc/69/96/70/779699670.db2.gz XXDWKVCSDVBSKR-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926673 779699674 /nfs/dbraw/zinc/69/96/74/779699674.db2.gz XXDWKVCSDVBSKR-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152874008 779699706 /nfs/dbraw/zinc/69/97/06/779699706.db2.gz YJCAORDHYOVXEI-SNVBAGLBSA-N 1 1 312.374 -1.102 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152874008 779699708 /nfs/dbraw/zinc/69/97/08/779699708.db2.gz YJCAORDHYOVXEI-SNVBAGLBSA-N 1 1 312.374 -1.102 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152963813 779699718 /nfs/dbraw/zinc/69/97/18/779699718.db2.gz UBZIDFGZHJFLPL-UHFFFAOYSA-N 1 1 317.353 -1.243 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925840 779699723 /nfs/dbraw/zinc/69/97/23/779699723.db2.gz HURYGCUNYZCSNS-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152925840 779699725 /nfs/dbraw/zinc/69/97/25/779699725.db2.gz HURYGCUNYZCSNS-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cccc(C(N)=O)n1)c1nnnn1C ZINC001152855708 779699927 /nfs/dbraw/zinc/69/99/27/779699927.db2.gz CFMXJQNTEXOPMN-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152849012 779700182 /nfs/dbraw/zinc/70/01/82/779700182.db2.gz SDUSQDLMJINUPU-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)CCOCCO ZINC001153233064 779701023 /nfs/dbraw/zinc/70/10/23/779701023.db2.gz MMBNRVWGDAVESJ-UHFFFAOYSA-N 1 1 310.354 -1.149 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001153070302 779701723 /nfs/dbraw/zinc/70/17/23/779701723.db2.gz BMMZMYOUEJXAPC-GMTAPVOTSA-N 1 1 303.359 -1.071 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccc(Cl)nn32)[C@H]2NCN[C@@H]21 ZINC001153219607 779702032 /nfs/dbraw/zinc/70/20/32/779702032.db2.gz VDUAWFCCKYEMMU-GMTAPVOTSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153368402 779703148 /nfs/dbraw/zinc/70/31/48/779703148.db2.gz MSNMPPBCZSWORS-LLVKDONJSA-N 1 1 324.389 -1.475 20 0 DAADMO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376628 779703201 /nfs/dbraw/zinc/70/32/01/779703201.db2.gz SLBHLDPJRMIVBB-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376628 779703204 /nfs/dbraw/zinc/70/32/04/779703204.db2.gz SLBHLDPJRMIVBB-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153368064 779703564 /nfs/dbraw/zinc/70/35/64/779703564.db2.gz HDBZCRSMEALUOP-LLVKDONJSA-N 1 1 307.362 -1.209 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)nc1)c1nnnn1C ZINC001153514336 779705167 /nfs/dbraw/zinc/70/51/67/779705167.db2.gz JJTUZBFMFLXUOF-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586765 779706452 /nfs/dbraw/zinc/70/64/52/779706452.db2.gz YWLBVNCNNVVMFZ-JTQLQIEISA-N 1 1 324.389 -1.168 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001153599162 779707970 /nfs/dbraw/zinc/70/79/70/779707970.db2.gz WSEARLMKCDURPI-LLVKDONJSA-N 1 1 324.385 -1.294 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3cccnc3[nH]c2=O)[C@H]2NCN[C@H]21 ZINC001153751788 779709605 /nfs/dbraw/zinc/70/96/05/779709605.db2.gz VGNDLBTZTJXRES-HOSYDEDBSA-N 1 1 315.337 -1.532 20 0 DAADMO Cn1ncc2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c21 ZINC001153692406 779709743 /nfs/dbraw/zinc/70/97/43/779709743.db2.gz SOHADJCOGRMVCP-WXHSDQCUSA-N 1 1 301.354 -1.294 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)nc[nH]c3=O)[C@@H]2NCN[C@H]21 ZINC001153762694 779709762 /nfs/dbraw/zinc/70/97/62/779709762.db2.gz JWRVCYVDYWULES-TUAOUCFPSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001153710236 779709789 /nfs/dbraw/zinc/70/97/89/779709789.db2.gz HIXNIJUOMSVCQA-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001153710236 779709792 /nfs/dbraw/zinc/70/97/92/779709792.db2.gz HIXNIJUOMSVCQA-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCOc1cnc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001153742451 779709900 /nfs/dbraw/zinc/70/99/00/779709900.db2.gz ZYXTYECDRPEBMT-UHFFFAOYSA-N 1 1 306.330 -1.082 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001153882790 779712228 /nfs/dbraw/zinc/71/22/28/779712228.db2.gz OKSHWCRWSVDJAS-SECBINFHSA-N 1 1 320.353 -1.059 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)[nH]1 ZINC001153882523 779712286 /nfs/dbraw/zinc/71/22/86/779712286.db2.gz IEUGDRCRHLGNTR-VXNVDRBHSA-N 1 1 308.342 -1.067 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882809 779712316 /nfs/dbraw/zinc/71/23/16/779712316.db2.gz PBWSWUMKDSSMTR-SNVBAGLBSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC(=O)NC1=O)c1nnnn1C ZINC001153882475 779712539 /nfs/dbraw/zinc/71/25/39/779712539.db2.gz HBXRLSSHOATBRL-SFYZADRCSA-N 1 1 309.330 -1.970 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886825 779712555 /nfs/dbraw/zinc/71/25/55/779712555.db2.gz JQUIXLRQELWDPC-SECBINFHSA-N 1 1 323.357 -1.658 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890804 779713941 /nfs/dbraw/zinc/71/39/41/779713941.db2.gz WAOGRVAHADVVAI-SNVBAGLBSA-N 1 1 322.369 -1.135 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153910916 779714507 /nfs/dbraw/zinc/71/45/07/779714507.db2.gz CBFYAELDVMVWAB-CYBMUJFWSA-N 1 1 309.374 -1.135 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cc(C(N)=O)ccn2)n1 ZINC001153929529 779715135 /nfs/dbraw/zinc/71/51/35/779715135.db2.gz FQILDKVIWMCHAH-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929488 779715609 /nfs/dbraw/zinc/71/56/09/779715609.db2.gz CHKAJRPQZDMABE-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001154103056 779716874 /nfs/dbraw/zinc/71/68/74/779716874.db2.gz RDUURFXULKLHPF-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001154103056 779716878 /nfs/dbraw/zinc/71/68/78/779716878.db2.gz RDUURFXULKLHPF-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154092903 779717124 /nfs/dbraw/zinc/71/71/24/779717124.db2.gz QEVYINPNXLMJLX-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN1CCc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)sc2C1 ZINC001154224104 779718034 /nfs/dbraw/zinc/71/80/34/779718034.db2.gz OSENKOMSMNHICL-GARJFASQSA-N 1 1 323.426 -1.736 20 0 DAADMO COCCc1noc(C[NH2+]CCCNC(=O)CNC(C)=O)n1 ZINC001154199150 779718308 /nfs/dbraw/zinc/71/83/08/779718308.db2.gz DNQFWJLEJCPHLB-UHFFFAOYSA-N 1 1 313.358 -1.010 20 0 DAADMO CC1(C)COc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cnn2C1 ZINC001154367892 779718461 /nfs/dbraw/zinc/71/84/61/779718461.db2.gz ITPZLZAPEQGTJT-VWYCJHECSA-N 1 1 321.385 -1.566 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccn3c2F)[C@H]2NCN[C@H]21 ZINC001154249147 779718588 /nfs/dbraw/zinc/71/85/88/779718588.db2.gz GLCRASJXJWRRNM-MVWJERBFSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001154205052 779718730 /nfs/dbraw/zinc/71/87/30/779718730.db2.gz DVJUTVWDTJDSJS-SECBINFHSA-N 1 1 311.342 -1.739 20 0 DAADMO CN1CCc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)sc2C1 ZINC001154224106 779718656 /nfs/dbraw/zinc/71/86/56/779718656.db2.gz OSENKOMSMNHICL-VWYCJHECSA-N 1 1 323.426 -1.736 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccn3c2F)[C@@H]2NCN[C@@H]21 ZINC001154249125 779718677 /nfs/dbraw/zinc/71/86/77/779718677.db2.gz GLCRASJXJWRRNM-JLLWLGSASA-N 1 1 305.317 -1.394 20 0 DAADMO Nc1nc2ccccc2cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001154289928 779718696 /nfs/dbraw/zinc/71/86/96/779718696.db2.gz UTDWGPXTRQNOFG-XBFCOCLRSA-N 1 1 313.365 -1.050 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001154205052 779718728 /nfs/dbraw/zinc/71/87/28/779718728.db2.gz DVJUTVWDTJDSJS-SECBINFHSA-N 1 1 311.342 -1.739 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001154431791 779719988 /nfs/dbraw/zinc/71/99/88/779719988.db2.gz VPKYGPXJKLPWAN-KOLCDFICSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001154431791 779719990 /nfs/dbraw/zinc/71/99/90/779719990.db2.gz VPKYGPXJKLPWAN-KOLCDFICSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469321 779721307 /nfs/dbraw/zinc/72/13/07/779721307.db2.gz UEAIUFUFNJAICD-SNVBAGLBSA-N 1 1 310.420 -1.751 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ncccc23)[C@@H]2NCN[C@@H]21 ZINC001154625203 779724025 /nfs/dbraw/zinc/72/40/25/779724025.db2.gz RUKUDXGVILMXDK-MXWKQRLJSA-N 1 1 316.325 -2.137 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ncccc23)[C@H]2NCN[C@H]21 ZINC001154625202 779724721 /nfs/dbraw/zinc/72/47/21/779724721.db2.gz RUKUDXGVILMXDK-HBNTYKKESA-N 1 1 316.325 -2.137 20 0 DAADMO COc1cc2n[nH]cc2cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001154800581 779725813 /nfs/dbraw/zinc/72/58/13/779725813.db2.gz SFVGRDQXSAOKNP-FRRDWIJNSA-N 1 1 317.353 -1.296 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001154731619 779725952 /nfs/dbraw/zinc/72/59/52/779725952.db2.gz SUEXWBKULQMYQV-SVDPJWKOSA-N 1 1 312.370 -1.100 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001154731619 779725957 /nfs/dbraw/zinc/72/59/57/779725957.db2.gz SUEXWBKULQMYQV-SVDPJWKOSA-N 1 1 312.370 -1.100 20 0 DAADMO CC[N@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154914185 779726840 /nfs/dbraw/zinc/72/68/40/779726840.db2.gz JHWNNCBJHJPRAE-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154914185 779726848 /nfs/dbraw/zinc/72/68/48/779726848.db2.gz JHWNNCBJHJPRAE-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154969743 779728788 /nfs/dbraw/zinc/72/87/88/779728788.db2.gz VGCZEWFPTDWWFP-NXEZZACHSA-N 1 1 307.416 -1.021 20 0 DAADMO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154969743 779728792 /nfs/dbraw/zinc/72/87/92/779728792.db2.gz VGCZEWFPTDWWFP-NXEZZACHSA-N 1 1 307.416 -1.021 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945354 779728886 /nfs/dbraw/zinc/72/88/86/779728886.db2.gz SYFZCUSISXIUJZ-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945354 779728891 /nfs/dbraw/zinc/72/88/91/779728891.db2.gz SYFZCUSISXIUJZ-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154953164 779728913 /nfs/dbraw/zinc/72/89/13/779728913.db2.gz XAYMJKUFSXRUHX-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154953164 779728921 /nfs/dbraw/zinc/72/89/21/779728921.db2.gz XAYMJKUFSXRUHX-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@H+](CC(=O)N1CCO[C@@H](C)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154969271 779729004 /nfs/dbraw/zinc/72/90/04/779729004.db2.gz QHPNRDMAYWIMLH-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)[C@H](C)CNC(=O)C(N)=O ZINC001154969271 779729007 /nfs/dbraw/zinc/72/90/07/779729007.db2.gz QHPNRDMAYWIMLH-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)C(N)=O ZINC001154952385 779729110 /nfs/dbraw/zinc/72/91/10/779729110.db2.gz BCZALQMQRFUOJW-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO Cc1ccn2c(c1)ncc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001155349428 779731895 /nfs/dbraw/zinc/73/18/95/779731895.db2.gz ROXCHIRXDXIWQS-AGIUHOORSA-N 1 1 301.354 -1.225 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155510367 779732325 /nfs/dbraw/zinc/73/23/25/779732325.db2.gz XNMSGXZANVGPOS-UTLUCORTSA-N 1 1 300.359 -1.208 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001155451441 779732380 /nfs/dbraw/zinc/73/23/80/779732380.db2.gz IZHOBUABGRKLIS-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001155451441 779732386 /nfs/dbraw/zinc/73/23/86/779732386.db2.gz IZHOBUABGRKLIS-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155644664 779734145 /nfs/dbraw/zinc/73/41/45/779734145.db2.gz IFYCKCAPSUGSKD-PWSUYJOCSA-N 1 1 316.402 -1.425 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654578 779734617 /nfs/dbraw/zinc/73/46/17/779734617.db2.gz UBLDWDNKYZOENG-FOGDFJRCSA-N 1 1 316.402 -1.426 20 0 DAADMO Cn1c(=O)[nH]c2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c21 ZINC001155647529 779734702 /nfs/dbraw/zinc/73/47/02/779734702.db2.gz PAMJGXPDCDEDIT-ADEWGFFLSA-N 1 1 317.353 -1.588 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155644997 779734745 /nfs/dbraw/zinc/73/47/45/779734745.db2.gz UUKIHHKUPOKMJM-PWSUYJOCSA-N 1 1 316.402 -1.161 20 0 DAADMO Cn1c(=O)[nH]c2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c21 ZINC001155647535 779734797 /nfs/dbraw/zinc/73/47/97/779734797.db2.gz PAMJGXPDCDEDIT-ZMLRMANQSA-N 1 1 317.353 -1.588 20 0 DAADMO Cn1c(=O)[nH]c2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c21 ZINC001155647533 779734840 /nfs/dbraw/zinc/73/48/40/779734840.db2.gz PAMJGXPDCDEDIT-USWWRNFRSA-N 1 1 317.353 -1.588 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155889879 779735619 /nfs/dbraw/zinc/73/56/19/779735619.db2.gz TUBUIBQDOOFBRJ-NXEZZACHSA-N 1 1 300.359 -1.254 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001155764519 779736142 /nfs/dbraw/zinc/73/61/42/779736142.db2.gz SLXDHYPOYNEETQ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001155811737 779736255 /nfs/dbraw/zinc/73/62/55/779736255.db2.gz JEGZVQLCBVBFHJ-NSHDSACASA-N 1 1 306.432 -1.274 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001156000328 779737588 /nfs/dbraw/zinc/73/75/88/779737588.db2.gz NUVAFLADOUUVFT-NEPJUHHUSA-N 1 1 314.390 -1.103 20 0 DAADMO COc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nnc12 ZINC001156017139 779737709 /nfs/dbraw/zinc/73/77/09/779737709.db2.gz HSXJZJCMOHTMIO-QXEWZRGKSA-N 1 1 318.341 -2.129 20 0 DAADMO Cc1cc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cn2cn1 ZINC001156437800 779742069 /nfs/dbraw/zinc/74/20/69/779742069.db2.gz VMCJPVLMDBWTAD-SRVKXCTJSA-N 1 1 302.342 -1.830 20 0 DAADMO COc1cccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cn21 ZINC001156606464 779742107 /nfs/dbraw/zinc/74/21/07/779742107.db2.gz ZZEUNLTUQBCTLB-RWMBFGLXSA-N 1 1 317.353 -1.524 20 0 DAADMO COc1ccc2onc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c2c1 ZINC001156735476 779742799 /nfs/dbraw/zinc/74/27/99/779742799.db2.gz IONKWURDTZLFMO-AVGNSLFASA-N 1 1 318.337 -1.031 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001156787936 779743231 /nfs/dbraw/zinc/74/32/31/779743231.db2.gz SYNADVMDXZBCGO-SNVBAGLBSA-N 1 1 300.359 -1.301 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001156797574 779743409 /nfs/dbraw/zinc/74/34/09/779743409.db2.gz KGMNGULIFDCPKP-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3cccc(F)n32)[C@H]2NCN[C@@H]21 ZINC001156639957 779743486 /nfs/dbraw/zinc/74/34/86/779743486.db2.gz UVUKXTGYQNIGOF-IJLUTSLNSA-N 1 1 305.317 -1.394 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cccc(F)c23)[C@H]2NCN[C@H]21 ZINC001156922519 779745314 /nfs/dbraw/zinc/74/53/14/779745314.db2.gz TYLWGPBFWMVWCR-MVWJERBFSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1nc2ncccn2n1 ZINC001156883264 779746120 /nfs/dbraw/zinc/74/61/20/779746120.db2.gz PWZDDXBXNILXDS-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1nc2ncccn2n1 ZINC001156883264 779746123 /nfs/dbraw/zinc/74/61/23/779746123.db2.gz PWZDDXBXNILXDS-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109763 779747848 /nfs/dbraw/zinc/74/78/48/779747848.db2.gz VFNSJRNUVNSLHI-SNVBAGLBSA-N 1 1 312.374 -1.150 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157081921 779747959 /nfs/dbraw/zinc/74/79/59/779747959.db2.gz FSQUIQUIIJHYBO-ITDIGPHOSA-N 1 1 321.381 -1.048 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CNC(=O)Cn1cncn1 ZINC001157081220 779748146 /nfs/dbraw/zinc/74/81/46/779748146.db2.gz JVEYPHLUBNEHFP-LLVKDONJSA-N 1 1 312.374 -1.787 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCC[NH2+]Cc1nc(N(C)C)no1 ZINC001157044229 779748497 /nfs/dbraw/zinc/74/84/97/779748497.db2.gz GRLQCJHXLMFTSR-QMMMGPOBSA-N 1 1 313.362 -1.212 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC[NH2+]CC1 ZINC001157083891 779748526 /nfs/dbraw/zinc/74/85/26/779748526.db2.gz WMVWLHKYFKRWDQ-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)C(=O)OC3)[C@@H]2NCN[C@@H]21 ZINC001157192100 779749139 /nfs/dbraw/zinc/74/91/39/779749139.db2.gz MHDYDXDKMDZTMT-UTUOFQBUSA-N 1 1 303.322 -1.510 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001157163263 779749324 /nfs/dbraw/zinc/74/93/24/779749324.db2.gz SSYVOSPSKTVSJY-JTQLQIEISA-N 1 1 311.379 -1.158 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(Cl)nc3[nH]ccc32)[C@@H]2NCN[C@@H]21 ZINC001157128713 779749537 /nfs/dbraw/zinc/74/95/37/779749537.db2.gz AZIFYGPZAZZWDA-MRTMQBJTSA-N 1 1 322.760 -1.304 20 0 DAADMO CCOC(=O)c1cn[nH]c1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157449343 779754325 /nfs/dbraw/zinc/75/43/25/779754325.db2.gz YJRQKGULGACSHN-NSHDSACASA-N 1 1 323.353 -1.467 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157510676 779755811 /nfs/dbraw/zinc/75/58/11/779755811.db2.gz ZMUDPVJKPTUJAN-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157510676 779755819 /nfs/dbraw/zinc/75/58/19/779755819.db2.gz ZMUDPVJKPTUJAN-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)c2ncc[nH]2)n1 ZINC001157616457 779757790 /nfs/dbraw/zinc/75/77/90/779757790.db2.gz TVTDQRFQQFKRCS-UHFFFAOYSA-N 1 1 321.341 -1.009 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001157746124 779759064 /nfs/dbraw/zinc/75/90/64/779759064.db2.gz QKYFQAQKLHDESH-SSDOTTSWSA-N 1 1 311.346 -1.665 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157967898 779762851 /nfs/dbraw/zinc/76/28/51/779762851.db2.gz YJQSINVFTFXPOG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157967898 779762857 /nfs/dbraw/zinc/76/28/57/779762857.db2.gz YJQSINVFTFXPOG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1C[NH2+]Cc2ccnn21 ZINC001157999459 779763955 /nfs/dbraw/zinc/76/39/55/779763955.db2.gz RIPUTHVKLNDERV-VXGBXAGGSA-N 1 1 307.354 -1.109 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC001158013965 779764015 /nfs/dbraw/zinc/76/40/15/779764015.db2.gz HSEYEKLJVKWUSC-GFCCVEGCSA-N 1 1 307.354 -1.037 20 0 DAADMO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001158028330 779765342 /nfs/dbraw/zinc/76/53/42/779765342.db2.gz OZJPIDJTUMIIHK-OLZOCXBDSA-N 1 1 316.446 -1.283 20 0 DAADMO O=C(c1noc2c1CNCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158110639 779766752 /nfs/dbraw/zinc/76/67/52/779766752.db2.gz HMACHDMJLHJQGI-AWEZNQCLSA-N 1 1 305.338 -1.376 20 0 DAADMO C[S@@](=O)CC[C@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158103051 779767146 /nfs/dbraw/zinc/76/71/46/779767146.db2.gz ZZIHTWXHEXGOAM-DYLYQXKESA-N 1 1 302.400 -2.227 20 0 DAADMO O=C(C[C@H]1CNCC1(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101020 779767153 /nfs/dbraw/zinc/76/71/53/779767153.db2.gz FUAVJRVWURXWRP-JOYOIKCWSA-N 1 1 302.325 -1.078 20 0 DAADMO O=C(c1[nH]nc2c1CNCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111603 779767945 /nfs/dbraw/zinc/76/79/45/779767945.db2.gz PBBXVABUSIIYAM-AWEZNQCLSA-N 1 1 304.354 -1.641 20 0 DAADMO CC1(C)N[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CO1 ZINC001158118613 779768567 /nfs/dbraw/zinc/76/85/67/779768567.db2.gz BPNSTISZKVMGRS-BONVTDFDSA-N 1 1 308.382 -1.351 20 0 DAADMO O=C([C@H]1CNCCC1=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121689 779769359 /nfs/dbraw/zinc/76/93/59/779769359.db2.gz WBYSWLHSSYSSNM-BONVTDFDSA-N 1 1 306.366 -1.897 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)Cn2ncnn2)n1 ZINC001158163425 779770111 /nfs/dbraw/zinc/77/01/11/779770111.db2.gz PUKYQDFKHVKZRJ-UHFFFAOYSA-N 1 1 310.318 -1.501 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001158235925 779772249 /nfs/dbraw/zinc/77/22/49/779772249.db2.gz UJNXDLHAYCKJON-CHIMOYNISA-N 1 1 308.338 -1.073 20 0 DAADMO O=C([C@H]1CNCCO1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260472 779772994 /nfs/dbraw/zinc/77/29/94/779772994.db2.gz DBIYVOSIUIHGJE-LLVKDONJSA-N 1 1 306.370 -1.313 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)o1 ZINC001158336906 779774120 /nfs/dbraw/zinc/77/41/20/779774120.db2.gz CRAXAPHWKPHSHU-UHFFFAOYSA-N 1 1 322.329 -1.635 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001158419660 779775557 /nfs/dbraw/zinc/77/55/57/779775557.db2.gz VNXNDZPFYVVZAH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001158419660 779775562 /nfs/dbraw/zinc/77/55/62/779775562.db2.gz VNXNDZPFYVVZAH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411729 779775868 /nfs/dbraw/zinc/77/58/68/779775868.db2.gz HRSREGWAQISORM-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158425663 779775891 /nfs/dbraw/zinc/77/58/91/779775891.db2.gz AQSPSYAZKFVIAQ-DTWKUNHWSA-N 1 1 313.358 -1.632 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158425663 779775896 /nfs/dbraw/zinc/77/58/96/779775896.db2.gz AQSPSYAZKFVIAQ-DTWKUNHWSA-N 1 1 313.358 -1.632 20 0 DAADMO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507727 779777161 /nfs/dbraw/zinc/77/71/61/779777161.db2.gz PUNMOXPCMCRNND-WDEREUQCSA-N 1 1 324.385 -1.031 20 0 DAADMO Cn1nnc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158487217 779777221 /nfs/dbraw/zinc/77/72/21/779777221.db2.gz WVWFGOZAYAYMCX-VXGBXAGGSA-N 1 1 323.401 -1.331 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001158611252 779777655 /nfs/dbraw/zinc/77/76/55/779777655.db2.gz CMTXLZCZBITPQG-SECBINFHSA-N 1 1 323.357 -1.074 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001158611252 779777657 /nfs/dbraw/zinc/77/76/57/779777657.db2.gz CMTXLZCZBITPQG-SECBINFHSA-N 1 1 323.357 -1.074 20 0 DAADMO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001158626154 779778000 /nfs/dbraw/zinc/77/80/00/779778000.db2.gz FYGWJSZSVRRVGV-WDEREUQCSA-N 1 1 306.432 -1.242 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)CC1 ZINC001158603001 779778145 /nfs/dbraw/zinc/77/81/45/779778145.db2.gz CXOFENYXTWOXOX-FDYHWXHSSA-N 1 1 313.398 -1.092 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001158629088 779778240 /nfs/dbraw/zinc/77/82/40/779778240.db2.gz BXOPYSASTPSFLZ-VLEAKVRGSA-N 1 1 313.402 -1.755 20 0 DAADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CC[NH2+]1 ZINC001158735988 779779146 /nfs/dbraw/zinc/77/91/46/779779146.db2.gz YGLGOAMWEGEGQX-VIFPVBQESA-N 1 1 314.367 -1.030 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001158914308 779782169 /nfs/dbraw/zinc/78/21/69/779782169.db2.gz MPEAHNNJFZDGDJ-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO O=C([C@@H]1COC[NH2+]1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968840 779783260 /nfs/dbraw/zinc/78/32/60/779783260.db2.gz ZYKHJLOBUDPWQP-TUAOUCFPSA-N 1 1 305.338 -1.162 20 0 DAADMO CCN(C)c1cc[nH+]c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1 ZINC001158969538 779783289 /nfs/dbraw/zinc/78/32/89/779783289.db2.gz DDOKDUCJKPPOHP-RGHQJQCBSA-N 1 1 314.342 -1.856 20 0 DAADMO COc1ccc(C)[nH+]c1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001158975597 779785621 /nfs/dbraw/zinc/78/56/21/779785621.db2.gz XZXJHUOZVSHPFL-VDWIVTDKSA-N 1 1 300.311 -1.390 20 0 DAADMO O=C(Cn1cnnn1)NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001159210785 779788700 /nfs/dbraw/zinc/78/87/00/779788700.db2.gz QCEFHJRNKINDHU-LBPRGKRZSA-N 1 1 319.369 -1.300 20 0 DAADMO NC(=O)NCC(=O)NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001159206246 779789018 /nfs/dbraw/zinc/78/90/18/779789018.db2.gz VSMYAPYOHKFPIV-NSHDSACASA-N 1 1 309.370 -1.318 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159211065 779789189 /nfs/dbraw/zinc/78/91/89/779789189.db2.gz VAMBDSPLWLRINO-SNVBAGLBSA-N 1 1 311.386 -1.072 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210794 779789201 /nfs/dbraw/zinc/78/92/01/779789201.db2.gz QJAZVPJCEPZGOA-NSHDSACASA-N 1 1 321.385 -1.054 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210768 779789454 /nfs/dbraw/zinc/78/94/54/779789454.db2.gz PRDPHZIBUBKVHJ-JTQLQIEISA-N 1 1 307.358 -1.315 20 0 DAADMO [NH3+]CCNCC(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159494016 779794539 /nfs/dbraw/zinc/79/45/39/779794539.db2.gz SUPUQLIFEXLPHO-UHFFFAOYSA-N 1 1 322.369 -1.727 20 0 DAADMO O=C(CCc1cnc[nH]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159537252 779794556 /nfs/dbraw/zinc/79/45/56/779794556.db2.gz RJMYOSVJKSIYHS-UHFFFAOYSA-N 1 1 322.369 -1.010 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)C1 ZINC001159725385 779795400 /nfs/dbraw/zinc/79/54/00/779795400.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CN1CCO[C@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)C1 ZINC001159725385 779795407 /nfs/dbraw/zinc/79/54/07/779795407.db2.gz IBROSHYIFFINOI-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159885899 779796982 /nfs/dbraw/zinc/79/69/82/779796982.db2.gz WNULCDWUZDNYGR-JTQLQIEISA-N 1 1 322.369 -1.004 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159885900 779797418 /nfs/dbraw/zinc/79/74/18/779797418.db2.gz WNULCDWUZDNYGR-SNVBAGLBSA-N 1 1 322.369 -1.004 20 0 DAADMO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC001159998189 779798887 /nfs/dbraw/zinc/79/88/87/779798887.db2.gz FELKHGQJOYTHCZ-WOPDTQHZSA-N 1 1 317.411 -1.143 20 0 DAADMO CN1C[C@@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@@H]2C1=O ZINC001159887734 779799528 /nfs/dbraw/zinc/79/95/28/779799528.db2.gz XTDKARXIKNKFKN-KGYLQXTDSA-N 1 1 309.414 -1.717 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]Cc1cnsn1 ZINC001160167595 779799946 /nfs/dbraw/zinc/79/99/46/779799946.db2.gz XKOUSPIZDVDTNY-QMMMGPOBSA-N 1 1 312.355 -1.268 20 0 DAADMO O=C(Cn1ncnn1)NCCC1=CC[N@@H+](CCOCCO)CC1 ZINC001160149956 779799964 /nfs/dbraw/zinc/79/99/64/779799964.db2.gz CHUFBORCEVBEOH-UHFFFAOYSA-N 1 1 324.385 -1.180 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150187 779800714 /nfs/dbraw/zinc/80/07/14/779800714.db2.gz FZWZPDHJGGMANF-CYBMUJFWSA-N 1 1 324.385 -1.181 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC001160170981 779802362 /nfs/dbraw/zinc/80/23/62/779802362.db2.gz DGSJFANUKCHCKH-SMDDNHRTSA-N 1 1 310.354 -2.076 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001160229418 779803363 /nfs/dbraw/zinc/80/33/63/779803363.db2.gz UMFHBSGDKSGLPX-UHFFFAOYSA-N 1 1 315.395 -1.345 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001160229418 779803373 /nfs/dbraw/zinc/80/33/73/779803373.db2.gz UMFHBSGDKSGLPX-UHFFFAOYSA-N 1 1 315.395 -1.345 20 0 DAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H](N)C[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160216772 779803898 /nfs/dbraw/zinc/80/38/98/779803898.db2.gz HFJABHMRGPFFIJ-LFSVMHDDSA-N 1 1 318.381 -1.470 20 0 DAADMO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CCO2 ZINC001160180558 779804062 /nfs/dbraw/zinc/80/40/62/779804062.db2.gz VLKHQLMKNZGIJD-KCQAQPDRSA-N 1 1 310.398 -1.085 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160386157 779804626 /nfs/dbraw/zinc/80/46/26/779804626.db2.gz KARBHYDQLALRGG-NSHDSACASA-N 1 1 310.354 -1.285 20 0 DAADMO CNC(=O)NCC(=O)NCCC1=CC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001160285169 779804809 /nfs/dbraw/zinc/80/48/09/779804809.db2.gz CLRGUUJDAOCZAJ-SNVBAGLBSA-N 1 1 311.386 -1.072 20 0 DAADMO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160492027 779807598 /nfs/dbraw/zinc/80/75/98/779807598.db2.gz CPVVSOATBHOJQD-AZQAYCESSA-N 1 1 317.367 -1.708 20 0 DAADMO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160492037 779807926 /nfs/dbraw/zinc/80/79/26/779807926.db2.gz CPVVSOATBHOJQD-JIOCBJNQSA-N 1 1 317.367 -1.708 20 0 DAADMO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCN(C2CCOCC2)CC1 ZINC001160491167 779808200 /nfs/dbraw/zinc/80/82/00/779808200.db2.gz VPSUOUDBJUSQBT-AWEZNQCLSA-N 1 1 324.425 -1.360 20 0 DAADMO [NH3+]CCCNCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485138 779808766 /nfs/dbraw/zinc/80/87/66/779808766.db2.gz RNGNHJZGHYOKTB-UHFFFAOYSA-N 1 1 311.430 -1.309 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160541733 779810479 /nfs/dbraw/zinc/81/04/79/779810479.db2.gz GYLZZNURHMKCHW-LPEHRKFASA-N 1 1 322.369 -1.748 20 0 DAADMO Cn1cnn(CC(=O)NCCC2=CC[N@@H+](CCO)CC2)c1=O ZINC001160559841 779810920 /nfs/dbraw/zinc/81/09/20/779810920.db2.gz PLMIBTSAKZVPBN-UHFFFAOYSA-N 1 1 309.370 -1.288 20 0 DAADMO CN1CCN(C2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C2)CC1=O ZINC001160634532 779811913 /nfs/dbraw/zinc/81/19/13/779811913.db2.gz CKOHJZZVHMEFGL-GFCCVEGCSA-N 1 1 306.370 -1.736 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636232 779812994 /nfs/dbraw/zinc/81/29/94/779812994.db2.gz HXKQJKKMVUAUQI-ZDUSSCGKSA-N 1 1 324.429 -2.621 20 0 DAADMO CC(=O)OC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160636003 779813296 /nfs/dbraw/zinc/81/32/96/779813296.db2.gz OEFXHLCSNVNQPK-LBPRGKRZSA-N 1 1 313.354 -1.273 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647552 779814677 /nfs/dbraw/zinc/81/46/77/779814677.db2.gz NBBFJWVELFOGED-CHWSQXEVSA-N 1 1 309.414 -1.430 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655173 779815256 /nfs/dbraw/zinc/81/52/56/779815256.db2.gz IVLKBMADWFSIPH-OUAUKWLOSA-N 1 1 316.402 -1.835 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640834 779815287 /nfs/dbraw/zinc/81/52/87/779815287.db2.gz RESRHXCVWAAJSK-NEPJUHHUSA-N 1 1 311.386 -1.600 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCC(OCC(=O)NC3CC3)CC2)C1 ZINC001160742857 779816253 /nfs/dbraw/zinc/81/62/53/779816253.db2.gz RCDPQSMNCBQDHC-MFKMUULPSA-N 1 1 310.398 -1.038 20 0 DAADMO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001160772742 779818315 /nfs/dbraw/zinc/81/83/15/779818315.db2.gz WMRMZPVSHCLWDO-IUCAKERBSA-N 1 1 318.351 -1.879 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160789123 779818443 /nfs/dbraw/zinc/81/84/43/779818443.db2.gz WDVLVFFUQOCFKV-UISBYWKRSA-N 1 1 308.338 -1.021 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCNCc2nnn(C)n2)O1 ZINC001160862432 779821953 /nfs/dbraw/zinc/82/19/53/779821953.db2.gz PPZKEVXDPXKCDN-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCNCc2nnn(C)n2)O1 ZINC001160862432 779821959 /nfs/dbraw/zinc/82/19/59/779821959.db2.gz PPZKEVXDPXKCDN-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO Cn1nnc(C(=O)NCCC2=CC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC001160927122 779823635 /nfs/dbraw/zinc/82/36/35/779823635.db2.gz AAULQSJDHWUNSI-LLVKDONJSA-N 1 1 319.369 -1.149 20 0 DAADMO O=C(NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001161050242 779824053 /nfs/dbraw/zinc/82/40/53/779824053.db2.gz DIJPKEHPJQLIOT-RYUDHWBXSA-N 1 1 321.381 -1.305 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008495 779824149 /nfs/dbraw/zinc/82/41/49/779824149.db2.gz PEGROVATJMNABE-NWDGAFQWSA-N 1 1 310.398 -1.349 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161051525 779824197 /nfs/dbraw/zinc/82/41/97/779824197.db2.gz YTIJWRBBFDWSFZ-GXSJLCMTSA-N 1 1 309.370 -1.320 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CCN1 ZINC001161014393 779824386 /nfs/dbraw/zinc/82/43/86/779824386.db2.gz CSEPUSHZKNKQSP-GHMZBOCLSA-N 1 1 305.386 -1.256 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161051603 779824965 /nfs/dbraw/zinc/82/49/65/779824965.db2.gz ZQBMJHIGYYPIKS-LBPRGKRZSA-N 1 1 323.397 -1.106 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161043478 779825396 /nfs/dbraw/zinc/82/53/96/779825396.db2.gz DSRLHNPAOMQVNI-NSHDSACASA-N 1 1 309.370 -1.448 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161043478 779825402 /nfs/dbraw/zinc/82/54/02/779825402.db2.gz DSRLHNPAOMQVNI-NSHDSACASA-N 1 1 309.370 -1.448 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001161096155 779826424 /nfs/dbraw/zinc/82/64/24/779826424.db2.gz BERTWJTWRWNHIL-JTQLQIEISA-N 1 1 308.338 -1.585 20 0 DAADMO COCCS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cnon1 ZINC001161104538 779827824 /nfs/dbraw/zinc/82/78/24/779827824.db2.gz BNSUQYBXZSKKBK-UHFFFAOYSA-N 1 1 320.371 -1.273 20 0 DAADMO O=C([C@@H]1COCC[NH2+]1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001161151459 779829269 /nfs/dbraw/zinc/82/92/69/779829269.db2.gz XQUFVZFGCFCEGT-JDSSLJPYSA-N 1 1 308.338 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001161230927 779831264 /nfs/dbraw/zinc/83/12/64/779831264.db2.gz NACGDFBACTWDTJ-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001161230927 779831274 /nfs/dbraw/zinc/83/12/74/779831274.db2.gz NACGDFBACTWDTJ-NEPJUHHUSA-N 1 1 308.382 -1.008 20 0 DAADMO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C[C@H]2C1 ZINC001161175625 779831444 /nfs/dbraw/zinc/83/14/44/779831444.db2.gz MSZXKVKYEXUWDQ-LOWDOPEQSA-N 1 1 312.414 -1.389 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC1 ZINC001161263752 779831968 /nfs/dbraw/zinc/83/19/68/779831968.db2.gz DCTQHBWDCOEQCV-ONGXEEELSA-N 1 1 304.416 -1.394 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001161263751 779832790 /nfs/dbraw/zinc/83/27/90/779832790.db2.gz DCTQHBWDCOEQCV-KOLCDFICSA-N 1 1 304.416 -1.394 20 0 DAADMO Cn1cnn(CC(=O)NCCC[NH2+]Cc2cnsn2)c1=O ZINC001161453651 779837188 /nfs/dbraw/zinc/83/71/88/779837188.db2.gz FZNRVPDEZLCEIO-UHFFFAOYSA-N 1 1 311.371 -1.271 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001161461235 779837566 /nfs/dbraw/zinc/83/75/66/779837566.db2.gz IQYUENDVASREBK-UHFFFAOYSA-N 1 1 323.357 -1.177 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001161471835 779838632 /nfs/dbraw/zinc/83/86/32/779838632.db2.gz HRGOTVOOWMLJMH-UHFFFAOYSA-N 1 1 322.365 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001161471835 779838641 /nfs/dbraw/zinc/83/86/41/779838641.db2.gz HRGOTVOOWMLJMH-UHFFFAOYSA-N 1 1 322.365 -1.337 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001161462147 779838705 /nfs/dbraw/zinc/83/87/05/779838705.db2.gz SEZDJONVQDZXSL-UHFFFAOYSA-N 1 1 309.330 -1.431 20 0 DAADMO CN(C1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161499516 779839929 /nfs/dbraw/zinc/83/99/29/779839929.db2.gz OSZBUYCAUFROKD-AAEUAGOBSA-N 1 1 310.398 -1.132 20 0 DAADMO COCCOC1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161572537 779843946 /nfs/dbraw/zinc/84/39/46/779843946.db2.gz RZPQYENVXKWRSV-ZDUSSCGKSA-N 1 1 300.403 -1.389 20 0 DAADMO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)c1cnn[nH]1 ZINC001161706410 779845267 /nfs/dbraw/zinc/84/52/67/779845267.db2.gz BUSCBCFIPWKYNU-UHFFFAOYSA-N 1 1 309.330 -1.544 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)c1cnn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001161710962 779845423 /nfs/dbraw/zinc/84/54/23/779845423.db2.gz OSHOQQDNADCJFE-QMMMGPOBSA-N 1 1 323.357 -1.109 20 0 DAADMO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707253 779845828 /nfs/dbraw/zinc/84/58/28/779845828.db2.gz SORBPHOKKUZPFN-GHMZBOCLSA-N 1 1 315.374 -1.073 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001161893362 779848532 /nfs/dbraw/zinc/84/85/32/779848532.db2.gz GGHJQADPYRLAPX-UHFFFAOYSA-N 1 1 318.399 -1.841 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001161893362 779848537 /nfs/dbraw/zinc/84/85/37/779848537.db2.gz GGHJQADPYRLAPX-UHFFFAOYSA-N 1 1 318.399 -1.841 20 0 DAADMO COCC1(CNC(=O)CNC(N)=O)CC[NH+](CC(N)=O)CC1 ZINC001162091075 779850646 /nfs/dbraw/zinc/85/06/46/779850646.db2.gz BRBXCSVPQMVRNZ-UHFFFAOYSA-N 1 1 315.374 -2.015 20 0 DAADMO COCC1(CNC(=O)CS(C)(=O)=O)CC[NH+](CCO)CC1 ZINC001162145689 779850984 /nfs/dbraw/zinc/85/09/84/779850984.db2.gz CABNLRKVIOQRFY-UHFFFAOYSA-N 1 1 322.427 -1.132 20 0 DAADMO COc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1NC(C)C ZINC001162435550 779851835 /nfs/dbraw/zinc/85/18/35/779851835.db2.gz CZYKYRSQNKFQEX-SCVCMEIPSA-N 1 1 308.390 -1.198 20 0 DAADMO CC(C)OC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nn1 ZINC001162434902 779852379 /nfs/dbraw/zinc/85/23/79/779852379.db2.gz AOKUWLXLHNVIFG-WOPDTQHZSA-N 1 1 307.358 -1.461 20 0 DAADMO CC(C)OC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nn1 ZINC001162434895 779852521 /nfs/dbraw/zinc/85/25/21/779852521.db2.gz AOKUWLXLHNVIFG-SDDRHHMPSA-N 1 1 307.358 -1.461 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(N3CCCCC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162437502 779853127 /nfs/dbraw/zinc/85/31/27/779853127.db2.gz UHFZGMOZBXVRFQ-MCIONIFRSA-N 1 1 304.402 -1.036 20 0 DAADMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1C(N)=O ZINC001162436605 779853162 /nfs/dbraw/zinc/85/31/62/779853162.db2.gz NTXQJASSXKHCFN-PTRXPTGYSA-N 1 1 311.777 -1.361 20 0 DAADMO COC(=O)c1c[nH]c2nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ccc12 ZINC001162437150 779853403 /nfs/dbraw/zinc/85/34/03/779853403.db2.gz AYIVSTHWSPYQAI-NTZNESFSSA-N 1 1 317.353 -1.154 20 0 DAADMO NC(=O)c1cc(F)c(Cl)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162436668 779853666 /nfs/dbraw/zinc/85/36/66/779853666.db2.gz ORMXTEHMWDFUQK-ZYAQMDEOSA-N 1 1 315.740 -1.530 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(N3CCCCC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162437503 779853676 /nfs/dbraw/zinc/85/36/76/779853676.db2.gz UHFZGMOZBXVRFQ-MGPQQGTHSA-N 1 1 304.402 -1.036 20 0 DAADMO CCOC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1C ZINC001162437133 779853732 /nfs/dbraw/zinc/85/37/32/779853732.db2.gz AXYFUXHNQJSULA-JBLDHEPKSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOC(=O)c1cc(C)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162437834 779853922 /nfs/dbraw/zinc/85/39/22/779853922.db2.gz WCMALYMOEQFBBZ-VWYCJHECSA-N 1 1 307.358 -1.541 20 0 DAADMO Cc1cc(N2CCCC2)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162436781 779854001 /nfs/dbraw/zinc/85/40/01/779854001.db2.gz PPOZNLRFSRZMAY-AVGNSLFASA-N 1 1 304.402 -1.118 20 0 DAADMO [NH3+][C@@H]1NCN(c2nc(Cl)cc3c2CNC3=O)[C@H]2NCN[C@H]21 ZINC001162437900 779854030 /nfs/dbraw/zinc/85/40/30/779854030.db2.gz DMZJPRYVYFTZNU-IQJOONFLSA-N 1 1 309.761 -1.525 20 0 DAADMO COC(=O)c1cnc(Cl)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162437250 779854353 /nfs/dbraw/zinc/85/43/53/779854353.db2.gz SXLZHRCBZMPILL-ZKWXMUAHSA-N 1 1 313.749 -1.587 20 0 DAADMO CC(C)(C)C(=O)Nc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nn1 ZINC001162437711 779854405 /nfs/dbraw/zinc/85/44/05/779854405.db2.gz CXTKDGVVTDCSDK-SRVKXCTJSA-N 1 1 320.401 -1.042 20 0 DAADMO Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162440744 779854666 /nfs/dbraw/zinc/85/46/66/779854666.db2.gz UVULOQXRWOJYAA-APQOSEDMSA-N 1 1 309.765 -1.486 20 0 DAADMO COC(=O)c1c[nH]c2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c12 ZINC001162438597 779854694 /nfs/dbraw/zinc/85/46/94/779854694.db2.gz GVIDKEPAVJSDMT-AUTRQRHGSA-N 1 1 318.341 -1.759 20 0 DAADMO COC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1OC ZINC001162438452 779854753 /nfs/dbraw/zinc/85/47/53/779854753.db2.gz YWAVMYNKVLENSQ-VWYCJHECSA-N 1 1 308.342 -1.626 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162440496 779854826 /nfs/dbraw/zinc/85/48/26/779854826.db2.gz SALNUNVHOJSOCS-JHJVBQTASA-N 1 1 303.370 -1.529 20 0 DAADMO COC(=O)c1nc(Cl)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162440725 779855359 /nfs/dbraw/zinc/85/53/59/779855359.db2.gz UNDARFBMOGFDJI-CNUIFLNQSA-N 1 1 313.749 -1.587 20 0 DAADMO CNC(=O)c1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1Cl ZINC001162439061 779855509 /nfs/dbraw/zinc/85/55/09/779855509.db2.gz KATPNUHTFYAHDU-OUAUKWLOSA-N 1 1 311.777 -1.409 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(C(=O)NC3CC3)cn2)[C@H]2NCN[C@H]21 ZINC001162440499 779855530 /nfs/dbraw/zinc/85/55/30/779855530.db2.gz SALNUNVHOJSOCS-YNEHKIRRSA-N 1 1 303.370 -1.529 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162439491 779855826 /nfs/dbraw/zinc/85/58/26/779855826.db2.gz LZFVZDWOJHGZHB-ATZCPNFKSA-N 1 1 323.357 -1.841 20 0 DAADMO COCc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc(SC)n1 ZINC001162439028 779855837 /nfs/dbraw/zinc/85/58/37/779855837.db2.gz JVFIGUPLFMLKQA-OUAUKWLOSA-N 1 1 311.415 -1.158 20 0 DAADMO COC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1OC ZINC001162438449 779856073 /nfs/dbraw/zinc/85/60/73/779856073.db2.gz YWAVMYNKVLENSQ-DCAQKATOSA-N 1 1 308.342 -1.626 20 0 DAADMO NC(=O)c1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc(C2CC2)n1 ZINC001162443319 779856784 /nfs/dbraw/zinc/85/67/84/779856784.db2.gz GIHHNJASYLIBGI-NRUUGDAUSA-N 1 1 304.358 -2.050 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCSCC3)ncn2)[C@@H]2NCN[C@H]21 ZINC001162443056 779857119 /nfs/dbraw/zinc/85/71/19/779857119.db2.gz FMLXDHPUOPFMLU-XQQFMLRXSA-N 1 1 322.442 -1.473 20 0 DAADMO COCCOC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001162443419 779857325 /nfs/dbraw/zinc/85/73/25/779857325.db2.gz GZCZTOBBJSUHLC-FRRDWIJNSA-N 1 1 322.369 -1.618 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc2N1C ZINC001162441449 779857346 /nfs/dbraw/zinc/85/73/46/779857346.db2.gz XZWGBIJSMZXAFF-GPUHXXMPSA-N 1 1 319.373 -2.250 20 0 DAADMO CCOC(=O)Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001162442230 779857383 /nfs/dbraw/zinc/85/73/83/779857383.db2.gz AHNKPDOWMXYZAM-IHRRRGAJSA-N 1 1 306.370 -1.316 20 0 DAADMO CC1(C)C(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c21 ZINC001162443919 779857498 /nfs/dbraw/zinc/85/74/98/779857498.db2.gz ASXMEKNCYUUXGF-VHSKPIJISA-N 1 1 304.358 -1.797 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(OC)c1 ZINC001162441539 779857604 /nfs/dbraw/zinc/85/76/04/779857604.db2.gz YPDDKHFHWOSIPK-NTZNESFSSA-N 1 1 322.369 -1.236 20 0 DAADMO CNC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162444890 779858135 /nfs/dbraw/zinc/85/81/35/779858135.db2.gz QZDDLPZAQMPKEC-CIUDSAMLSA-N 1 1 312.765 -2.014 20 0 DAADMO Cc1noc(-c2cccnc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162445079 779858886 /nfs/dbraw/zinc/85/88/86/779858886.db2.gz DONYTMNGORFFAM-JBLDHEPKSA-N 1 1 302.342 -1.063 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(N3CCCCC3)n2)[C@H]2NCN[C@@H]21 ZINC001162445582 779859036 /nfs/dbraw/zinc/85/90/36/779859036.db2.gz FOWGCXMZCKYIKQ-JHJVBQTASA-N 1 1 304.402 -1.036 20 0 DAADMO COC(=O)c1nc(Cl)cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162445044 779859052 /nfs/dbraw/zinc/85/90/52/779859052.db2.gz SAHAQMQQIJKOJA-NRPADANISA-N 1 1 313.749 -1.587 20 0 DAADMO [NH3+][C@@H]1NCN(c2cccc(N3CCOCC3)n2)[C@H]2NCN[C@H]21 ZINC001162449019 779859589 /nfs/dbraw/zinc/85/95/89/779859589.db2.gz SULIOJMQPCVVGM-BFHYXJOUSA-N 1 1 305.386 -1.585 20 0 DAADMO Cc1noc(-c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc2)n1 ZINC001162448982 779859636 /nfs/dbraw/zinc/85/96/36/779859636.db2.gz SODQTRUTHDBGEA-SDDRHHMPSA-N 1 1 302.342 -1.063 20 0 DAADMO [NH3+][C@@H]1NCN(c2cncc(N3CCCCC3)n2)[C@H]2NCN[C@@H]21 ZINC001162449588 779860125 /nfs/dbraw/zinc/86/01/25/779860125.db2.gz WDZYYMCNYBQHMS-MGPQQGTHSA-N 1 1 304.402 -1.036 20 0 DAADMO CNS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1 ZINC001162446893 779860157 /nfs/dbraw/zinc/86/01/57/779860157.db2.gz JTCFBZGSLOQKRL-DCAQKATOSA-N 1 1 313.387 -2.513 20 0 DAADMO Cc1cn(-c2ccc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nn2)cn1 ZINC001162448577 779860208 /nfs/dbraw/zinc/86/02/08/779860208.db2.gz QXYIEYSQFQEHJY-FRRDWIJNSA-N 1 1 301.358 -1.532 20 0 DAADMO COc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc2c1ccn2C ZINC001162446260 779860309 /nfs/dbraw/zinc/86/03/09/779860309.db2.gz ZSKRLHCMDOXZDV-WCABBAIRSA-N 1 1 304.358 -1.526 20 0 DAADMO COc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc2c1ccn2C ZINC001162446261 779860339 /nfs/dbraw/zinc/86/03/39/779860339.db2.gz ZSKRLHCMDOXZDV-YWVKMMECSA-N 1 1 304.358 -1.526 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2NCN[C@H]21 ZINC001162446213 779860354 /nfs/dbraw/zinc/86/03/54/779860354.db2.gz HMYSLIAOITUCSD-BFHYXJOUSA-N 1 1 317.397 -1.186 20 0 DAADMO [NH3+][C@@H]1NCN(c2cncc(N3CCCCC3)n2)[C@@H]2NCN[C@H]21 ZINC001162449589 779860425 /nfs/dbraw/zinc/86/04/25/779860425.db2.gz WDZYYMCNYBQHMS-MJBXVCDLSA-N 1 1 304.402 -1.036 20 0 DAADMO CON(C)C(=O)c1cc(C)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162448511 779860550 /nfs/dbraw/zinc/86/05/50/779860550.db2.gz QSWVJUSTDMBKTM-GMXVVIOVSA-N 1 1 321.385 -1.480 20 0 DAADMO COC(=O)CSc1cccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162446392 779860745 /nfs/dbraw/zinc/86/07/45/779860745.db2.gz HPFTUMCSBBTZBU-AGIUHOORSA-N 1 1 324.410 -1.156 20 0 DAADMO CNS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1 ZINC001162446894 779860787 /nfs/dbraw/zinc/86/07/87/779860787.db2.gz JTCFBZGSLOQKRL-GARJFASQSA-N 1 1 313.387 -2.513 20 0 DAADMO CC(C)n1cnc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc21 ZINC001162449351 779860813 /nfs/dbraw/zinc/86/08/13/779860813.db2.gz VDQZIYNGSBTQLT-NHCYSSNCSA-N 1 1 303.374 -1.096 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nn1 ZINC001162450283 779861777 /nfs/dbraw/zinc/86/17/77/779861777.db2.gz ZPCPKIGPYMPYOS-FRRDWIJNSA-N 1 1 307.358 -1.921 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nn1 ZINC001162450284 779861890 /nfs/dbraw/zinc/86/18/90/779861890.db2.gz ZPCPKIGPYMPYOS-RWMBFGLXSA-N 1 1 307.358 -1.921 20 0 DAADMO COCCc1noc(C[NH2+]CCCNC(=O)c2nnn(C)n2)n1 ZINC001164147492 779875261 /nfs/dbraw/zinc/87/52/61/779875261.db2.gz CORLLCGLVQAUFH-UHFFFAOYSA-N 1 1 324.345 -1.308 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)c2nnn(C)n2)n1 ZINC001164148387 779875546 /nfs/dbraw/zinc/87/55/46/779875546.db2.gz QCFXTKJHCTXYFW-UHFFFAOYSA-N 1 1 309.334 -1.431 20 0 DAADMO OC[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@@H]1O ZINC001164544165 779879498 /nfs/dbraw/zinc/87/94/98/779879498.db2.gz IAQNNTAQDPBSHR-GWCFXTLKSA-N 1 1 321.381 -1.294 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001165278337 779882004 /nfs/dbraw/zinc/88/20/04/779882004.db2.gz RWNBCTULXISGRN-QMMMGPOBSA-N 1 1 323.357 -1.485 20 0 DAADMO O=C1NCCN(c2ccc(N3CC[NH2+]CC3)nn2)C12CNC2 ZINC001165298034 779882677 /nfs/dbraw/zinc/88/26/77/779882677.db2.gz PDQQVRSDRKUUKW-UHFFFAOYSA-N 1 1 303.370 -1.836 20 0 DAADMO CN(C[C@@H](O)CO)c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165535780 779885879 /nfs/dbraw/zinc/88/58/79/779885879.db2.gz RIFVSHFUYAOYSH-SNVBAGLBSA-N 1 1 309.370 -1.294 20 0 DAADMO CN(C[C@H](O)CO)c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001165535779 779886541 /nfs/dbraw/zinc/88/65/41/779886541.db2.gz RIFVSHFUYAOYSH-JTQLQIEISA-N 1 1 309.370 -1.294 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]C[C@@H](C)O ZINC001165731708 779887404 /nfs/dbraw/zinc/88/74/04/779887404.db2.gz PABRFBRTAMZASI-MFKMUULPSA-N 1 1 311.386 -1.066 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001165731422 779887497 /nfs/dbraw/zinc/88/74/97/779887497.db2.gz AZNUYLQTQTZLPQ-CABZTGNLSA-N 1 1 324.385 -1.573 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+]CCS(C)(=O)=O)=NC1=O ZINC001165838669 779888778 /nfs/dbraw/zinc/88/87/78/779888778.db2.gz WHZFJINIOXXOSW-UHFFFAOYSA-N 1 1 304.372 -1.120 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)=NC1=O ZINC001165837940 779889018 /nfs/dbraw/zinc/88/90/18/779889018.db2.gz OIOVVCUTKJQZML-QMMMGPOBSA-N 1 1 309.326 -1.360 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+]CCN2CCNC2=O)=NC1=O ZINC001165867082 779889150 /nfs/dbraw/zinc/88/91/50/779889150.db2.gz AUWKPVKYESSSEX-UHFFFAOYSA-N 1 1 310.358 -1.140 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)=NC1=O ZINC001165868889 779889380 /nfs/dbraw/zinc/88/93/80/779889380.db2.gz PMODYUGHGMOULW-UHFFFAOYSA-N 1 1 324.341 -1.613 20 0 DAADMO CN(C)S(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1 ZINC001166724733 779891439 /nfs/dbraw/zinc/89/14/39/779891439.db2.gz VDHWSUUGJHJTTR-SNVBAGLBSA-N 1 1 313.383 -1.405 20 0 DAADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[NH2+][C@@H](C(N)=O)C2)n1 ZINC001166723864 779891525 /nfs/dbraw/zinc/89/15/25/779891525.db2.gz LENYBQVIJWZDGH-ZCFIWIBFSA-N 1 1 319.774 -1.203 20 0 DAADMO NC(=O)[C@@H]1CN(c2ccnc(-n3ccccc3=O)n2)CC[NH2+]1 ZINC001166724708 779891890 /nfs/dbraw/zinc/89/18/90/779891890.db2.gz UUQFOTOYCAJOPU-JTQLQIEISA-N 1 1 300.322 -1.109 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CC[NH2+][C@@H](C(N)=O)C3)nc2N1C ZINC001166725704 779892017 /nfs/dbraw/zinc/89/20/17/779892017.db2.gz RCYOMUZTQRPIBH-VXNVDRBHSA-N 1 1 305.342 -1.483 20 0 DAADMO NC(=O)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)CC[NH2+]1 ZINC001166723679 779892115 /nfs/dbraw/zinc/89/21/15/779892115.db2.gz HXCSOJJWWYXOHO-GFCCVEGCSA-N 1 1 319.365 -1.183 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001166805923 779893781 /nfs/dbraw/zinc/89/37/81/779893781.db2.gz RBQOLFJIJOVUNR-BDAKNGLRSA-N 1 1 310.358 -1.147 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+]CCN1CCNC1=O ZINC001166953345 779895565 /nfs/dbraw/zinc/89/55/65/779895565.db2.gz LCMCUXVEPWBWRF-UHFFFAOYSA-N 1 1 309.374 -1.142 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+]CCN1CCNC1=O ZINC001166953345 779895568 /nfs/dbraw/zinc/89/55/68/779895568.db2.gz LCMCUXVEPWBWRF-UHFFFAOYSA-N 1 1 309.374 -1.142 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)CCc1c[nH]nn1)C(=O)NC(N)=O ZINC001166974532 779895651 /nfs/dbraw/zinc/89/56/51/779895651.db2.gz JUQLVQBNHFANFN-QMMMGPOBSA-N 1 1 311.346 -1.583 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)CCc1cnn[nH]1)C(=O)NC(N)=O ZINC001166974532 779895655 /nfs/dbraw/zinc/89/56/55/779895655.db2.gz JUQLVQBNHFANFN-QMMMGPOBSA-N 1 1 311.346 -1.583 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001276420726 779898705 /nfs/dbraw/zinc/89/87/05/779898705.db2.gz CGAABSKJHVQNTR-KOLCDFICSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001276461777 779900150 /nfs/dbraw/zinc/90/01/50/779900150.db2.gz WGVQEKXQRJXFCC-ONGXEEELSA-N 1 1 324.381 -1.164 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001204869371 779900925 /nfs/dbraw/zinc/90/09/25/779900925.db2.gz WHIRSBZVJRWVGN-UHFFFAOYSA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205175356 779901916 /nfs/dbraw/zinc/90/19/16/779901916.db2.gz VZUBQXRWXXLZEU-ZIAGYGMSSA-N 1 1 321.377 -1.072 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001205756548 779902734 /nfs/dbraw/zinc/90/27/34/779902734.db2.gz HKNSDZBCRXXJTO-KHQFGBGNSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001205756548 779902737 /nfs/dbraw/zinc/90/27/37/779902737.db2.gz HKNSDZBCRXXJTO-KHQFGBGNSA-N 1 1 313.358 -1.858 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896374 779904373 /nfs/dbraw/zinc/90/43/73/779904373.db2.gz VDDFTOCJBXBNIG-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896374 779904381 /nfs/dbraw/zinc/90/43/81/779904381.db2.gz VDDFTOCJBXBNIG-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896381 779904437 /nfs/dbraw/zinc/90/44/37/779904437.db2.gz VKLFENPYTBEFOR-GHMZBOCLSA-N 1 1 309.374 -1.366 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205896381 779904441 /nfs/dbraw/zinc/90/44/41/779904441.db2.gz VKLFENPYTBEFOR-GHMZBOCLSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(C)=O)C1 ZINC001205766747 779904758 /nfs/dbraw/zinc/90/47/58/779904758.db2.gz UVDOCCDFYACUCP-PSASIEDQSA-N 1 1 313.358 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(C)=O)C1 ZINC001205766747 779904763 /nfs/dbraw/zinc/90/47/63/779904763.db2.gz UVDOCCDFYACUCP-PSASIEDQSA-N 1 1 313.358 -1.985 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001205766813 779905037 /nfs/dbraw/zinc/90/50/37/779905037.db2.gz XOQIPQYRBXPAKM-IEBDPFPHSA-N 1 1 310.354 -1.636 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001205766813 779905040 /nfs/dbraw/zinc/90/50/40/779905040.db2.gz XOQIPQYRBXPAKM-IEBDPFPHSA-N 1 1 310.354 -1.636 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C2)C1=O ZINC001205943696 779905979 /nfs/dbraw/zinc/90/59/79/779905979.db2.gz CKMQPPNVTLKECM-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053583 779906012 /nfs/dbraw/zinc/90/60/12/779906012.db2.gz MTBMUKNBCSNMHD-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cncn1 ZINC001206053583 779906015 /nfs/dbraw/zinc/90/60/15/779906015.db2.gz MTBMUKNBCSNMHD-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CNC(N)=O ZINC001205943731 779906765 /nfs/dbraw/zinc/90/67/65/779906765.db2.gz DWOJSJFTBOSUJP-OUAUKWLOSA-N 1 1 321.385 -1.130 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206130910 779907841 /nfs/dbraw/zinc/90/78/41/779907841.db2.gz SVJQSLPKCIKICC-YUSALJHKSA-N 1 1 324.381 -1.294 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206130910 779907844 /nfs/dbraw/zinc/90/78/44/779907844.db2.gz SVJQSLPKCIKICC-YUSALJHKSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001206429350 779908867 /nfs/dbraw/zinc/90/88/67/779908867.db2.gz YBXSKNZQPJGPHE-GMTAPVOTSA-N 1 1 312.370 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001206429350 779908870 /nfs/dbraw/zinc/90/88/70/779908870.db2.gz YBXSKNZQPJGPHE-GMTAPVOTSA-N 1 1 312.370 -1.085 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726193 779911006 /nfs/dbraw/zinc/91/10/06/779911006.db2.gz CPJGYBDEURKMRI-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726193 779911010 /nfs/dbraw/zinc/91/10/10/779911010.db2.gz CPJGYBDEURKMRI-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726196 779911373 /nfs/dbraw/zinc/91/13/73/779911373.db2.gz CPUWTGKUDILYQH-IJLUTSLNSA-N 1 1 317.386 -1.678 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001206881088 779912562 /nfs/dbraw/zinc/91/25/62/779912562.db2.gz PPYSFMHJUICLOF-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001206881088 779912568 /nfs/dbraw/zinc/91/25/68/779912568.db2.gz PPYSFMHJUICLOF-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206900548 779912689 /nfs/dbraw/zinc/91/26/89/779912689.db2.gz IFFCGXDUZHEGFZ-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206900548 779912693 /nfs/dbraw/zinc/91/26/93/779912693.db2.gz IFFCGXDUZHEGFZ-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1=CCOCC1 ZINC001206896030 779912748 /nfs/dbraw/zinc/91/27/48/779912748.db2.gz SIUYESUVDZEFAK-MWLCHTKSSA-N 1 1 310.354 -1.036 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1=CCOCC1 ZINC001206896030 779912753 /nfs/dbraw/zinc/91/27/53/779912753.db2.gz SIUYESUVDZEFAK-MWLCHTKSSA-N 1 1 310.354 -1.036 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882446 779913166 /nfs/dbraw/zinc/91/31/66/779913166.db2.gz QFVUGQWXTRADPP-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882446 779913168 /nfs/dbraw/zinc/91/31/68/779913168.db2.gz QFVUGQWXTRADPP-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906533 779913900 /nfs/dbraw/zinc/91/39/00/779913900.db2.gz RPHPPRGBUXDJIG-NXEZZACHSA-N 1 1 323.357 -1.700 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906533 779913903 /nfs/dbraw/zinc/91/39/03/779913903.db2.gz RPHPPRGBUXDJIG-NXEZZACHSA-N 1 1 323.357 -1.700 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001206924591 779914425 /nfs/dbraw/zinc/91/44/25/779914425.db2.gz IISSENJDBBZNIN-RKDXNWHRSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC(C)(C)O ZINC001206924591 779914430 /nfs/dbraw/zinc/91/44/30/779914430.db2.gz IISSENJDBBZNIN-RKDXNWHRSA-N 1 1 300.359 -1.221 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001206931328 779914462 /nfs/dbraw/zinc/91/44/62/779914462.db2.gz FKYUGOVKEIFPGH-IJLUTSLNSA-N 1 1 321.443 -1.011 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001206931328 779914467 /nfs/dbraw/zinc/91/44/67/779914467.db2.gz FKYUGOVKEIFPGH-IJLUTSLNSA-N 1 1 321.443 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906556 779914804 /nfs/dbraw/zinc/91/48/04/779914804.db2.gz SPGHOOSPDPARHL-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1ccnn1 ZINC001206906556 779914807 /nfs/dbraw/zinc/91/48/07/779914807.db2.gz SPGHOOSPDPARHL-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001206904140 779914838 /nfs/dbraw/zinc/91/48/38/779914838.db2.gz HXDUFYATTRHQNK-OUAUKWLOSA-N 1 1 302.375 -1.511 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001206935346 779915734 /nfs/dbraw/zinc/91/57/34/779915734.db2.gz WZGRIVWGEBANHM-OUAUKWLOSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206965141 779916040 /nfs/dbraw/zinc/91/60/40/779916040.db2.gz PSKFGYFKFKXEIW-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001206965141 779916042 /nfs/dbraw/zinc/91/60/42/779916042.db2.gz PSKFGYFKFKXEIW-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207153336 779919350 /nfs/dbraw/zinc/91/93/50/779919350.db2.gz UULCPVBGQKEKFS-KXUCPTDWSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207153336 779919354 /nfs/dbraw/zinc/91/93/54/779919354.db2.gz UULCPVBGQKEKFS-KXUCPTDWSA-N 1 1 323.357 -1.702 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001207297345 779919912 /nfs/dbraw/zinc/91/99/12/779919912.db2.gz DQSSTVWOSUQLQB-GHMZBOCLSA-N 1 1 314.386 -1.726 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001207297345 779919919 /nfs/dbraw/zinc/91/99/19/779919919.db2.gz DQSSTVWOSUQLQB-GHMZBOCLSA-N 1 1 314.386 -1.726 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307638 779920041 /nfs/dbraw/zinc/92/00/41/779920041.db2.gz YNGAVIXLHOHNOQ-OPRDCNLKSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307638 779920046 /nfs/dbraw/zinc/92/00/46/779920046.db2.gz YNGAVIXLHOHNOQ-OPRDCNLKSA-N 1 1 320.415 -1.812 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207307197 779920207 /nfs/dbraw/zinc/92/02/07/779920207.db2.gz ROZZPJUYQFPFRS-NXEZZACHSA-N 1 1 300.359 -1.987 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207307197 779920208 /nfs/dbraw/zinc/92/02/08/779920208.db2.gz ROZZPJUYQFPFRS-NXEZZACHSA-N 1 1 300.359 -1.987 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207290217 779920270 /nfs/dbraw/zinc/92/02/70/779920270.db2.gz VSENHLFDLJSVCQ-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207266384 779920284 /nfs/dbraw/zinc/92/02/84/779920284.db2.gz IPGBDPPWIOHBCV-SNVBAGLBSA-N 1 1 324.389 -1.168 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207365061 779921713 /nfs/dbraw/zinc/92/17/13/779921713.db2.gz NWSOKGGPOIEDAK-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207365061 779921716 /nfs/dbraw/zinc/92/17/16/779921716.db2.gz NWSOKGGPOIEDAK-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207489715 779921761 /nfs/dbraw/zinc/92/17/61/779921761.db2.gz PELJAIAYMCMKNV-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001207376698 779921801 /nfs/dbraw/zinc/92/18/01/779921801.db2.gz SWCBIKAZSLHLDV-OUAUKWLOSA-N 1 1 302.375 -1.641 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207376326 779921921 /nfs/dbraw/zinc/92/19/21/779921921.db2.gz LTBAXRVFTFLYDN-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001207376326 779921926 /nfs/dbraw/zinc/92/19/26/779921926.db2.gz LTBAXRVFTFLYDN-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001207384328 779922115 /nfs/dbraw/zinc/92/21/15/779922115.db2.gz LOULNRYFNUYBJM-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207650331 779922659 /nfs/dbraw/zinc/92/26/59/779922659.db2.gz YPVHPONIKNFUJL-BBBLOLIVSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207650331 779922663 /nfs/dbraw/zinc/92/26/63/779922663.db2.gz YPVHPONIKNFUJL-BBBLOLIVSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207649795 779922830 /nfs/dbraw/zinc/92/28/30/779922830.db2.gz HLUMGOONJBHRGX-HTQZYQBOSA-N 1 1 313.358 -1.871 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207649795 779922835 /nfs/dbraw/zinc/92/28/35/779922835.db2.gz HLUMGOONJBHRGX-HTQZYQBOSA-N 1 1 313.358 -1.871 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207652799 779923164 /nfs/dbraw/zinc/92/31/64/779923164.db2.gz MOZRQPJMBVYTJF-HTRCEHHLSA-N 1 1 324.341 -1.331 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207652799 779923169 /nfs/dbraw/zinc/92/31/69/779923169.db2.gz MOZRQPJMBVYTJF-HTRCEHHLSA-N 1 1 324.341 -1.331 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001207650314 779923378 /nfs/dbraw/zinc/92/33/78/779923378.db2.gz YMTWFJYHLFUONJ-OUAUKWLOSA-N 1 1 301.387 -1.058 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207650333 779923768 /nfs/dbraw/zinc/92/37/68/779923768.db2.gz YPVHPONIKNFUJL-OPRDCNLKSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207650333 779923775 /nfs/dbraw/zinc/92/37/75/779923775.db2.gz YPVHPONIKNFUJL-OPRDCNLKSA-N 1 1 324.381 -1.260 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207683726 779923983 /nfs/dbraw/zinc/92/39/83/779923983.db2.gz GUOMVUMKUXDRPU-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001207731885 779925016 /nfs/dbraw/zinc/92/50/16/779925016.db2.gz VQCKQIIRSSJAOD-JTQLQIEISA-N 1 1 308.342 -1.272 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001207740260 779926241 /nfs/dbraw/zinc/92/62/41/779926241.db2.gz PBICQXGPUARAKK-MWLCHTKSSA-N 1 1 302.350 -1.355 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001207740260 779926249 /nfs/dbraw/zinc/92/62/49/779926249.db2.gz PBICQXGPUARAKK-MWLCHTKSSA-N 1 1 302.350 -1.355 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001207801099 779926565 /nfs/dbraw/zinc/92/65/65/779926565.db2.gz YITFTJIRMDQKFL-NXEZZACHSA-N 1 1 323.340 -1.187 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001207796692 779926579 /nfs/dbraw/zinc/92/65/79/779926579.db2.gz ZUDYIVFTKKFKFM-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001207841134 779927673 /nfs/dbraw/zinc/92/76/73/779927673.db2.gz NESYPLJZPWUUCC-PSASIEDQSA-N 1 1 316.387 -1.596 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207902860 779929463 /nfs/dbraw/zinc/92/94/63/779929463.db2.gz WYYHZMTZPVJKTA-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001208041833 779931700 /nfs/dbraw/zinc/93/17/00/779931700.db2.gz MUUKJFNBGGWDNP-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001208054510 779933699 /nfs/dbraw/zinc/93/36/99/779933699.db2.gz GLPUSGBTUYWJMO-JMSVASOKSA-N 1 1 313.398 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001208278831 779936471 /nfs/dbraw/zinc/93/64/71/779936471.db2.gz BQWBYJFRIYFMGZ-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001208301490 779938043 /nfs/dbraw/zinc/93/80/43/779938043.db2.gz DKHRIJXTCUBPPL-QJPTWQEYSA-N 1 1 301.387 -1.057 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001208294238 779938219 /nfs/dbraw/zinc/93/82/19/779938219.db2.gz AFYDYEHWBJBKMC-HTQZYQBOSA-N 1 1 324.341 -1.629 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001208294238 779938225 /nfs/dbraw/zinc/93/82/25/779938225.db2.gz AFYDYEHWBJBKMC-HTQZYQBOSA-N 1 1 324.341 -1.629 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001208428057 779938715 /nfs/dbraw/zinc/93/87/15/779938715.db2.gz LVKWPZHTNUTGJS-CKYFFXLPSA-N 1 1 310.354 -1.173 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208445051 779938897 /nfs/dbraw/zinc/93/88/97/779938897.db2.gz PMAXJDFTHDINAC-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208445051 779938900 /nfs/dbraw/zinc/93/89/00/779938900.db2.gz PMAXJDFTHDINAC-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001208428058 779939022 /nfs/dbraw/zinc/93/90/22/779939022.db2.gz LVKWPZHTNUTGJS-JFGNBEQYSA-N 1 1 310.354 -1.173 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001208428553 779939056 /nfs/dbraw/zinc/93/90/56/779939056.db2.gz ZLOYZEMFRAYNMI-MWLCHTKSSA-N 1 1 307.354 -1.044 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001208428553 779939062 /nfs/dbraw/zinc/93/90/62/779939062.db2.gz ZLOYZEMFRAYNMI-MWLCHTKSSA-N 1 1 307.354 -1.044 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208445022 779939085 /nfs/dbraw/zinc/93/90/85/779939085.db2.gz OKDFDLZSISCWFR-BWZBUEFSSA-N 1 1 312.330 -2.701 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208445022 779939087 /nfs/dbraw/zinc/93/90/87/779939087.db2.gz OKDFDLZSISCWFR-BWZBUEFSSA-N 1 1 312.330 -2.701 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208444912 779939212 /nfs/dbraw/zinc/93/92/12/779939212.db2.gz KIBJZEMGNOHYAD-GMTAPVOTSA-N 1 1 300.359 -1.887 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001208444918 779939615 /nfs/dbraw/zinc/93/96/15/779939615.db2.gz KNTXVYAIFQDCQU-YUSALJHKSA-N 1 1 323.397 -1.370 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444925 779939632 /nfs/dbraw/zinc/93/96/32/779939632.db2.gz LBLGTOFZAQRYBY-GMTAPVOTSA-N 1 1 311.386 -1.371 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444925 779939634 /nfs/dbraw/zinc/93/96/34/779939634.db2.gz LBLGTOFZAQRYBY-GMTAPVOTSA-N 1 1 311.386 -1.371 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461266 779940506 /nfs/dbraw/zinc/94/05/06/779940506.db2.gz IXDMIMBAJOPYBJ-HTQZYQBOSA-N 1 1 311.342 -2.117 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461266 779940514 /nfs/dbraw/zinc/94/05/14/779940514.db2.gz IXDMIMBAJOPYBJ-HTQZYQBOSA-N 1 1 311.342 -2.117 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455296 779940720 /nfs/dbraw/zinc/94/07/20/779940720.db2.gz JPCMHADLSASPBS-GMTAPVOTSA-N 1 1 314.386 -1.551 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455296 779940721 /nfs/dbraw/zinc/94/07/21/779940721.db2.gz JPCMHADLSASPBS-GMTAPVOTSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461585 779941145 /nfs/dbraw/zinc/94/11/45/779941145.db2.gz TUONOSFEELEEMV-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461585 779941147 /nfs/dbraw/zinc/94/11/47/779941147.db2.gz TUONOSFEELEEMV-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461248 779941395 /nfs/dbraw/zinc/94/13/95/779941395.db2.gz IBZGWPXJJCBAMI-MWLCHTKSSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461248 779941400 /nfs/dbraw/zinc/94/14/00/779941400.db2.gz IBZGWPXJJCBAMI-MWLCHTKSSA-N 1 1 308.382 -1.033 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1NC(=O)CC(N)=O ZINC001276570982 779942313 /nfs/dbraw/zinc/94/23/13/779942313.db2.gz SUUSURABDFAZAE-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001208646441 779942709 /nfs/dbraw/zinc/94/27/09/779942709.db2.gz LDGYXDPASGJGCS-ZYHUDNBSSA-N 1 1 308.386 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001208646441 779942716 /nfs/dbraw/zinc/94/27/16/779942716.db2.gz LDGYXDPASGJGCS-ZYHUDNBSSA-N 1 1 308.386 -1.070 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001208910875 779943717 /nfs/dbraw/zinc/94/37/17/779943717.db2.gz VJKSBZYPVVRNKP-DTWKUNHWSA-N 1 1 323.357 -1.109 20 0 DAADMO O=C(N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)c1cnn[nH]1 ZINC001276612112 779947561 /nfs/dbraw/zinc/94/75/61/779947561.db2.gz NCAHYLMNLTYJPY-RKDXNWHRSA-N 1 1 306.326 -1.292 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001209275306 779948992 /nfs/dbraw/zinc/94/89/92/779948992.db2.gz SBLRZJPQWMDBIR-IJLUTSLNSA-N 1 1 301.387 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O ZINC001209282396 779949079 /nfs/dbraw/zinc/94/90/79/779949079.db2.gz AYPKGQZPBNOEIZ-NXEZZACHSA-N 1 1 307.416 -1.257 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001276634204 779950281 /nfs/dbraw/zinc/95/02/81/779950281.db2.gz PXXLGZLJGWVTPO-GHMZBOCLSA-N 1 1 306.370 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001209555232 779953792 /nfs/dbraw/zinc/95/37/92/779953792.db2.gz XVVWLJLJPWFWNY-IJLUTSLNSA-N 1 1 324.381 -1.256 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209713238 779954608 /nfs/dbraw/zinc/95/46/08/779954608.db2.gz DLAYHSQNKQVEJM-NXEZZACHSA-N 1 1 322.369 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209713238 779954613 /nfs/dbraw/zinc/95/46/13/779954613.db2.gz DLAYHSQNKQVEJM-NXEZZACHSA-N 1 1 322.369 -1.156 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001209554254 779954668 /nfs/dbraw/zinc/95/46/68/779954668.db2.gz MNQWOFSMZWPSAV-VXGBXAGGSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001209554921 779955014 /nfs/dbraw/zinc/95/50/14/779955014.db2.gz SQMMRBTXNGSQQS-GHMZBOCLSA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723179 779956792 /nfs/dbraw/zinc/95/67/92/779956792.db2.gz PGZGJBNDWUDBMM-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209740605 779956985 /nfs/dbraw/zinc/95/69/85/779956985.db2.gz HQQVKDALFZEXRA-OPRDCNLKSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209740605 779956993 /nfs/dbraw/zinc/95/69/93/779956993.db2.gz HQQVKDALFZEXRA-OPRDCNLKSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC001209876900 779957335 /nfs/dbraw/zinc/95/73/35/779957335.db2.gz GGPXCOLGUGUWKW-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC001209876900 779957343 /nfs/dbraw/zinc/95/73/43/779957343.db2.gz GGPXCOLGUGUWKW-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209885407 779958013 /nfs/dbraw/zinc/95/80/13/779958013.db2.gz LACPBASUVGQFFB-VXGBXAGGSA-N 1 1 321.381 -1.184 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001209885407 779958019 /nfs/dbraw/zinc/95/80/19/779958019.db2.gz LACPBASUVGQFFB-VXGBXAGGSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)COCc1ncnn1C ZINC001209929406 779958462 /nfs/dbraw/zinc/95/84/62/779958462.db2.gz UMZKVLJEQYSUIP-NXEZZACHSA-N 1 1 310.358 -1.747 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)COCc1ncnn1C ZINC001209929406 779958467 /nfs/dbraw/zinc/95/84/67/779958467.db2.gz UMZKVLJEQYSUIP-NXEZZACHSA-N 1 1 310.358 -1.747 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001276677977 779958777 /nfs/dbraw/zinc/95/87/77/779958777.db2.gz LVMJEIXKFJKLKP-MMWGEVLESA-N 1 1 308.382 -1.320 20 0 DAADMO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001276679225 779960074 /nfs/dbraw/zinc/96/00/74/779960074.db2.gz UHLKIJRLRFEXOM-YFKTTZPYSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001210307200 779961868 /nfs/dbraw/zinc/96/18/68/779961868.db2.gz IDYHBYCVBPJVNT-FXPVBKGRSA-N 1 1 313.402 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001210307200 779961872 /nfs/dbraw/zinc/96/18/72/779961872.db2.gz IDYHBYCVBPJVNT-FXPVBKGRSA-N 1 1 313.402 -1.009 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001276689426 779962723 /nfs/dbraw/zinc/96/27/23/779962723.db2.gz CXIFPLLSCBFAQY-CNDDSTCGSA-N 1 1 309.366 -1.188 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001210416517 779963198 /nfs/dbraw/zinc/96/31/98/779963198.db2.gz PPZAKDPSFQULRZ-HRDYMLBCSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001210416517 779963202 /nfs/dbraw/zinc/96/32/02/779963202.db2.gz PPZAKDPSFQULRZ-HRDYMLBCSA-N 1 1 311.342 -2.104 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210891023 779964637 /nfs/dbraw/zinc/96/46/37/779964637.db2.gz OFEUMYYHPQRTPP-OUAUKWLOSA-N 1 1 302.375 -1.511 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210889962 779965030 /nfs/dbraw/zinc/96/50/30/779965030.db2.gz BVXQIVATNSAQCF-GMTAPVOTSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210848925 779965570 /nfs/dbraw/zinc/96/55/70/779965570.db2.gz YQNSTDYUEDUVOB-KXUCPTDWSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210848925 779965573 /nfs/dbraw/zinc/96/55/73/779965573.db2.gz YQNSTDYUEDUVOB-KXUCPTDWSA-N 1 1 323.357 -1.702 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001211081551 779965919 /nfs/dbraw/zinc/96/59/19/779965919.db2.gz LTIVDUIUGUFAJT-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001211001099 779966075 /nfs/dbraw/zinc/96/60/75/779966075.db2.gz KQAOXMYDXDVYCL-VHSXEESVSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211025288 779966924 /nfs/dbraw/zinc/96/69/24/779966924.db2.gz IQODZKDUDMWOHU-OUAUKWLOSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccccn1 ZINC001211261469 779969110 /nfs/dbraw/zinc/96/91/10/779969110.db2.gz AASFKFYGJMXVSA-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccccn1 ZINC001211261469 779969113 /nfs/dbraw/zinc/96/91/13/779969113.db2.gz AASFKFYGJMXVSA-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCS(=O)(=O)N(C)C ZINC001211268091 779969876 /nfs/dbraw/zinc/96/98/76/779969876.db2.gz MEJVQRIZYMKING-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C)CC(N)=O ZINC001213260440 779971192 /nfs/dbraw/zinc/97/11/92/779971192.db2.gz IOCYSLLYWJNCJA-QJPTWQEYSA-N 1 1 317.386 -1.678 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001211458680 779972325 /nfs/dbraw/zinc/97/23/25/779972325.db2.gz NPRWBXYDEHUUIR-MXWKQRLJSA-N 1 1 324.381 -1.116 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1OC ZINC001213219210 779972359 /nfs/dbraw/zinc/97/23/59/779972359.db2.gz GZZCWWJASXSYOX-NXEZZACHSA-N 1 1 308.404 -1.736 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001213258427 779972376 /nfs/dbraw/zinc/97/23/76/779972376.db2.gz PTLOFDNZPDRFHE-GRYCIOLGSA-N 1 1 314.386 -1.138 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344355 779972966 /nfs/dbraw/zinc/97/29/66/779972966.db2.gz NJPKNKJZYSBOPP-HBNTYKKESA-N 1 1 300.359 -1.480 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001276700560 779973220 /nfs/dbraw/zinc/97/32/20/779973220.db2.gz MJRGNYYOLBMVNO-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344354 779973274 /nfs/dbraw/zinc/97/32/74/779973274.db2.gz NJPKNKJZYSBOPP-GMTAPVOTSA-N 1 1 300.359 -1.480 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001276700830 779973582 /nfs/dbraw/zinc/97/35/82/779973582.db2.gz QMFHIBKLAOYEKG-KYXWUPHJSA-N 1 1 323.353 -2.389 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001213327489 779973625 /nfs/dbraw/zinc/97/36/25/779973625.db2.gz KLKGFYUWISDXDH-YRGRVCCFSA-N 1 1 320.361 -1.061 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC001213327489 779973630 /nfs/dbraw/zinc/97/36/30/779973630.db2.gz KLKGFYUWISDXDH-YRGRVCCFSA-N 1 1 320.361 -1.061 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](OC)C1 ZINC001213297875 779973776 /nfs/dbraw/zinc/97/37/76/779973776.db2.gz VXJGUTQPGQAYAC-PRSXHHODSA-N 1 1 314.382 -1.299 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001213344369 779973863 /nfs/dbraw/zinc/97/38/63/779973863.db2.gz NRIGYNMQGPLQAK-IJLUTSLNSA-N 1 1 314.386 -1.092 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344200 779974120 /nfs/dbraw/zinc/97/41/20/779974120.db2.gz GWASQPQZCUIFEE-IJLUTSLNSA-N 1 1 314.386 -1.090 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H](C)NS(C)(=O)=O ZINC001213491613 779976426 /nfs/dbraw/zinc/97/64/26/779976426.db2.gz SBPXIOKZTIGJPP-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001213395230 779977019 /nfs/dbraw/zinc/97/70/19/779977019.db2.gz SYHDVTFXHLYMOK-GHMZBOCLSA-N 1 1 316.333 -1.013 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001213395230 779977028 /nfs/dbraw/zinc/97/70/28/779977028.db2.gz SYHDVTFXHLYMOK-GHMZBOCLSA-N 1 1 316.333 -1.013 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001213387122 779977306 /nfs/dbraw/zinc/97/73/06/779977306.db2.gz MIKPAASVBSELTG-FBIMIBRVSA-N 1 1 316.333 -1.015 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001213387122 779977310 /nfs/dbraw/zinc/97/73/10/779977310.db2.gz MIKPAASVBSELTG-FBIMIBRVSA-N 1 1 316.333 -1.015 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](OC)C1 ZINC001213491117 779977407 /nfs/dbraw/zinc/97/74/07/779977407.db2.gz JWFASXQZYIQVHD-HBNTYKKESA-N 1 1 323.415 -1.614 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378236 779977523 /nfs/dbraw/zinc/97/75/23/779977523.db2.gz IIBXKVGVPPTDKQ-YNEHKIRRSA-N 1 1 303.403 -1.239 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502775 779978741 /nfs/dbraw/zinc/97/87/41/779978741.db2.gz WQBKDCPUUJTZHX-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC1CCOCC1 ZINC001213514796 779979056 /nfs/dbraw/zinc/97/90/56/779979056.db2.gz PZJZQJIUQYRSSK-CHWSQXEVSA-N 1 1 302.371 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC[C@H]1CCOC1 ZINC001213507142 779979720 /nfs/dbraw/zinc/97/97/20/779979720.db2.gz ZDSHXLVSOQQIRZ-YNEHKIRRSA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213619948 779980655 /nfs/dbraw/zinc/98/06/55/779980655.db2.gz BAWHSPILUACIKZ-IJLUTSLNSA-N 1 1 312.374 -1.087 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@H](OC)C1 ZINC001213596765 779980921 /nfs/dbraw/zinc/98/09/21/779980921.db2.gz KGRAAWLWBIUEFU-CYZMBNFOSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001213644838 779982174 /nfs/dbraw/zinc/98/21/74/779982174.db2.gz GONMWCQVIOLPMT-JHJVBQTASA-N 1 1 324.381 -1.170 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001213646865 779982700 /nfs/dbraw/zinc/98/27/00/779982700.db2.gz VPDBYLRABCFDCG-VXGBXAGGSA-N 1 1 310.354 -1.559 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213829218 779984305 /nfs/dbraw/zinc/98/43/05/779984305.db2.gz PAPONVNAVFMEJZ-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(=O)Nc1cc(C)on1 ZINC001213846021 779984693 /nfs/dbraw/zinc/98/46/93/779984693.db2.gz RKRWSSJIDNPGSZ-NXEZZACHSA-N 1 1 312.326 -1.271 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(=O)Nc1cc(C)on1 ZINC001213846021 779984703 /nfs/dbraw/zinc/98/47/03/779984703.db2.gz RKRWSSJIDNPGSZ-NXEZZACHSA-N 1 1 312.326 -1.271 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@H](OC)C1 ZINC001213821446 779985248 /nfs/dbraw/zinc/98/52/48/779985248.db2.gz UWKAWFLYNWEQSB-QJPTWQEYSA-N 1 1 313.358 -1.899 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213831527 779985431 /nfs/dbraw/zinc/98/54/31/779985431.db2.gz XIPPGEYYDMLWEN-HBNTYKKESA-N 1 1 302.375 -1.105 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)c1ccco1 ZINC001213812623 779985482 /nfs/dbraw/zinc/98/54/82/779985482.db2.gz JXIFVJGWUFKQNO-ZYHUDNBSSA-N 1 1 311.338 -1.183 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)C(C)(C)C ZINC001213841578 779985687 /nfs/dbraw/zinc/98/56/87/779985687.db2.gz LYSHMNDIUHGDJF-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001213874250 779986228 /nfs/dbraw/zinc/98/62/28/779986228.db2.gz LMJBTQSHTCDVQV-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213874250 779986231 /nfs/dbraw/zinc/98/62/31/779986231.db2.gz LMJBTQSHTCDVQV-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927372 779986431 /nfs/dbraw/zinc/98/64/31/779986431.db2.gz GDVBWMUIYAXPOB-VXGBXAGGSA-N 1 1 300.403 -1.112 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1OC ZINC001213874082 779987037 /nfs/dbraw/zinc/98/70/37/779987037.db2.gz CBNYIIYRVJIDLG-NXEZZACHSA-N 1 1 309.388 -2.003 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001213874082 779987042 /nfs/dbraw/zinc/98/70/42/779987042.db2.gz CBNYIIYRVJIDLG-NXEZZACHSA-N 1 1 309.388 -2.003 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1OC ZINC001213874610 779987117 /nfs/dbraw/zinc/98/71/17/779987117.db2.gz YRHYFAIMLOAAFA-HBNTYKKESA-N 1 1 323.415 -1.614 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](CC(C)C)C(N)=O ZINC001214001675 779988684 /nfs/dbraw/zinc/98/86/84/779988684.db2.gz CGITYHBXNGJACW-QJPTWQEYSA-N 1 1 301.387 -1.058 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001276708028 779988769 /nfs/dbraw/zinc/98/87/69/779988769.db2.gz LXGXFRGLQIMVJT-MMWGEVLESA-N 1 1 306.366 -1.566 20 0 DAADMO C[C@H](C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001276708101 779989192 /nfs/dbraw/zinc/98/91/92/779989192.db2.gz MYMAFPDERCIJGJ-DBIOUOCHSA-N 1 1 317.411 -1.554 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)c1nnnn1C ZINC001214120653 779989872 /nfs/dbraw/zinc/98/98/72/779989872.db2.gz OATWKJYHMALGJA-HRDYMLBCSA-N 1 1 310.362 -1.624 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120829 779990106 /nfs/dbraw/zinc/99/01/06/779990106.db2.gz WQBPMLSRVFEVPY-NXEZZACHSA-N 1 1 324.389 -1.141 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214118802 779990188 /nfs/dbraw/zinc/99/01/88/779990188.db2.gz ZRNZGDJQQZLHHQ-NXEZZACHSA-N 1 1 324.389 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001214179187 779991785 /nfs/dbraw/zinc/99/17/85/779991785.db2.gz DTYUQHVPGQFBTG-PSASIEDQSA-N 1 1 308.342 -1.085 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214227222 779992737 /nfs/dbraw/zinc/99/27/37/779992737.db2.gz RVKIGGLQBUAVFR-RKDXNWHRSA-N 1 1 311.346 -1.497 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C)C(=O)NC(N)=O ZINC001214384497 779994255 /nfs/dbraw/zinc/99/42/55/779994255.db2.gz NVIUUWHGYRAVLZ-WCABBAIRSA-N 1 1 322.369 -1.028 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)[nH]1 ZINC001214326832 779994668 /nfs/dbraw/zinc/99/46/68/779994668.db2.gz IDGQJKIGBCCXOR-GMSGAONNSA-N 1 1 308.342 -1.037 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214338188 779994507 /nfs/dbraw/zinc/99/45/07/779994507.db2.gz KSZBOWKPUXZQCJ-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214480341 779995235 /nfs/dbraw/zinc/99/52/35/779995235.db2.gz UJYLKNAVPJARAT-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001214508665 779995329 /nfs/dbraw/zinc/99/53/29/779995329.db2.gz XAPFWQOZKLYCSI-KXUCPTDWSA-N 1 1 309.374 -1.192 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001214624017 779999700 /nfs/dbraw/zinc/99/97/00/779999700.db2.gz NMMFLBMAOLRJDN-OPRDCNLKSA-N 1 1 324.389 -1.407 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001214784667 780001162 /nfs/dbraw/zinc/00/11/62/780001162.db2.gz PHQDIKRDYNPBKJ-NXEZZACHSA-N 1 1 309.374 -1.319 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001214790495 780001245 /nfs/dbraw/zinc/00/12/45/780001245.db2.gz LNHOGEIHYIJZFX-PSASIEDQSA-N 1 1 309.374 -1.021 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001214790209 780001343 /nfs/dbraw/zinc/00/13/43/780001343.db2.gz FNBIQROEFGVLIZ-KXUCPTDWSA-N 1 1 324.389 -1.363 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001214784559 780001964 /nfs/dbraw/zinc/00/19/64/780001964.db2.gz KALGNVWQFHWGKL-MWLCHTKSSA-N 1 1 309.374 -1.319 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 ZINC001276715732 780002542 /nfs/dbraw/zinc/00/25/42/780002542.db2.gz DQCAXWGVUBGCSS-OWUUHHOZSA-N 1 1 308.338 -1.279 20 0 DAADMO C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215589138 780008487 /nfs/dbraw/zinc/00/84/87/780008487.db2.gz JRONZHZOGPIXSS-PSASIEDQSA-N 1 1 323.357 -1.631 20 0 DAADMO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215589138 780008492 /nfs/dbraw/zinc/00/84/92/780008492.db2.gz JRONZHZOGPIXSS-PSASIEDQSA-N 1 1 323.357 -1.631 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001216776277 780015998 /nfs/dbraw/zinc/01/59/98/780015998.db2.gz NXCSEXZCUPATOB-PSASIEDQSA-N 1 1 317.371 -1.445 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217212023 780017696 /nfs/dbraw/zinc/01/76/96/780017696.db2.gz FTJLEZCWXSSZAE-SDDRHHMPSA-N 1 1 310.354 -2.077 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217212023 780017704 /nfs/dbraw/zinc/01/77/04/780017704.db2.gz FTJLEZCWXSSZAE-SDDRHHMPSA-N 1 1 310.354 -2.077 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(C)=O)[C@H]2C1 ZINC001217212035 780018232 /nfs/dbraw/zinc/01/82/32/780018232.db2.gz GHZPPOVBZGGRKY-FRRDWIJNSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]21 ZINC001217172958 780018332 /nfs/dbraw/zinc/01/83/32/780018332.db2.gz YLXDAGHXPSWYPI-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001217206944 780018381 /nfs/dbraw/zinc/01/83/81/780018381.db2.gz WXTKGHXBOOREAA-RWMBFGLXSA-N 1 1 324.381 -1.735 20 0 DAADMO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001217021973 780018565 /nfs/dbraw/zinc/01/85/65/780018565.db2.gz OLHUEZJQJOQPRS-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217206613 780018950 /nfs/dbraw/zinc/01/89/50/780018950.db2.gz JMHIHXHSVBKQMK-QWHCGFSZSA-N 1 1 315.370 -1.957 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217206613 780018959 /nfs/dbraw/zinc/01/89/59/780018959.db2.gz JMHIHXHSVBKQMK-QWHCGFSZSA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]21 ZINC001217242501 780019764 /nfs/dbraw/zinc/01/97/64/780019764.db2.gz RZLZZIAYHDVIMZ-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001217270786 780020558 /nfs/dbraw/zinc/02/05/58/780020558.db2.gz UOMTXNXZHIZLPP-NWDGAFQWSA-N 1 1 322.369 -1.537 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001217270786 780020563 /nfs/dbraw/zinc/02/05/63/780020563.db2.gz UOMTXNXZHIZLPP-NWDGAFQWSA-N 1 1 322.369 -1.537 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217275520 780020822 /nfs/dbraw/zinc/02/08/22/780020822.db2.gz IXOMFTGYQIZZRG-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217275657 780021147 /nfs/dbraw/zinc/02/11/47/780021147.db2.gz LEMDKLSTRZVCHU-OUAUKWLOSA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217275521 780021298 /nfs/dbraw/zinc/02/12/98/780021298.db2.gz IXOMFTGYQIZZRG-SDDRHHMPSA-N 1 1 314.386 -1.273 20 0 DAADMO O=C([C@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217420782 780022100 /nfs/dbraw/zinc/02/21/00/780022100.db2.gz POUABZRLJGYFJD-MELADBBJSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C([C@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217420782 780022105 /nfs/dbraw/zinc/02/21/05/780022105.db2.gz POUABZRLJGYFJD-MELADBBJSA-N 1 1 314.382 -1.057 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217336836 780022438 /nfs/dbraw/zinc/02/24/38/780022438.db2.gz BDINREOIFZGBAI-RWMBFGLXSA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217336836 780022447 /nfs/dbraw/zinc/02/24/47/780022447.db2.gz BDINREOIFZGBAI-RWMBFGLXSA-N 1 1 324.381 -1.735 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)OC)[C@H]2C1 ZINC001217393793 780022474 /nfs/dbraw/zinc/02/24/74/780022474.db2.gz MWCDRXSSBRQORW-WDEREUQCSA-N 1 1 301.343 -1.100 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]c3)[C@H]2C1 ZINC001217350095 780023332 /nfs/dbraw/zinc/02/33/32/780023332.db2.gz RXBIHBMSWHOTLE-FRRDWIJNSA-N 1 1 310.354 -1.058 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001217712485 780025146 /nfs/dbraw/zinc/02/51/46/780025146.db2.gz ASORDCCVBKJRMZ-GRYCIOLGSA-N 1 1 324.381 -1.735 20 0 DAADMO COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560856 780025662 /nfs/dbraw/zinc/02/56/62/780025662.db2.gz QIPFCMRDMGIZOR-NWDGAFQWSA-N 1 1 315.370 -1.564 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560856 780025671 /nfs/dbraw/zinc/02/56/71/780025671.db2.gz QIPFCMRDMGIZOR-NWDGAFQWSA-N 1 1 315.370 -1.564 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218049593 780027639 /nfs/dbraw/zinc/02/76/39/780027639.db2.gz UXPUZHBPJNDUOP-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218049593 780027645 /nfs/dbraw/zinc/02/76/45/780027645.db2.gz UXPUZHBPJNDUOP-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001217975285 780027669 /nfs/dbraw/zinc/02/76/69/780027669.db2.gz AOAMXMMYKATPHS-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217975285 780027676 /nfs/dbraw/zinc/02/76/76/780027676.db2.gz AOAMXMMYKATPHS-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001217895608 780027777 /nfs/dbraw/zinc/02/77/77/780027777.db2.gz SFNRZBOTLLWROZ-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217895608 780027779 /nfs/dbraw/zinc/02/77/79/780027779.db2.gz SFNRZBOTLLWROZ-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)C(=O)C1CC1 ZINC001218066117 780028563 /nfs/dbraw/zinc/02/85/63/780028563.db2.gz NOGIJMWQPKIIMA-QWHCGFSZSA-N 1 1 311.382 -1.241 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)C(=O)C1CC1 ZINC001218066117 780028568 /nfs/dbraw/zinc/02/85/68/780028568.db2.gz NOGIJMWQPKIIMA-QWHCGFSZSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)CNC(C)=O)[C@H]2C1 ZINC001218188238 780028643 /nfs/dbraw/zinc/02/86/43/780028643.db2.gz OSDQWOXMTYXKLY-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO O=C(CCCn1ccnn1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218100822 780028998 /nfs/dbraw/zinc/02/89/98/780028998.db2.gz CPUASVVSZAPYMG-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO O=C(CCCn1ccnn1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218100822 780029007 /nfs/dbraw/zinc/02/90/07/780029007.db2.gz CPUASVVSZAPYMG-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001218075473 780029082 /nfs/dbraw/zinc/02/90/82/780029082.db2.gz FQCLBEVFULFSGA-GARJFASQSA-N 1 1 300.359 -1.792 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219800 780029466 /nfs/dbraw/zinc/02/94/66/780029466.db2.gz JXPHLFYILIJJTJ-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C(=O)NCC(F)F)[C@H]2C1 ZINC001218219800 780029473 /nfs/dbraw/zinc/02/94/73/780029473.db2.gz JXPHLFYILIJJTJ-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218566223 780033143 /nfs/dbraw/zinc/03/31/43/780033143.db2.gz MEHDEFMDVALDGX-WDEREUQCSA-N 1 1 321.399 -2.041 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218566223 780033153 /nfs/dbraw/zinc/03/31/53/780033153.db2.gz MEHDEFMDVALDGX-WDEREUQCSA-N 1 1 321.399 -2.041 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cn[nH]c1C(N)=O ZINC001218564937 780033242 /nfs/dbraw/zinc/03/32/42/780033242.db2.gz NCDUHTAKUHPSPT-UHFFFAOYSA-N 1 1 304.332 -2.333 20 0 DAADMO N=c1c(N)cnc(Cl)n1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218624948 780037351 /nfs/dbraw/zinc/03/73/51/780037351.db2.gz QGYRDQJVFONTSP-SECBINFHSA-N 1 1 313.793 -1.011 20 0 DAADMO O=C(COC[C@@H]1CCOC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218715941 780039371 /nfs/dbraw/zinc/03/93/71/780039371.db2.gz QBGMCDLXSZPFCQ-HZSPNIEDSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C(COC[C@@H]1CCOC1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218715941 780039378 /nfs/dbraw/zinc/03/93/78/780039378.db2.gz QBGMCDLXSZPFCQ-HZSPNIEDSA-N 1 1 314.382 -1.057 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218712865 780039780 /nfs/dbraw/zinc/03/97/80/780039780.db2.gz KJCIZDDTPADLFO-CIUDSAMLSA-N 1 1 311.342 -1.138 20 0 DAADMO N[C@@H](CSCC[NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750094 780040702 /nfs/dbraw/zinc/04/07/02/780040702.db2.gz BAENYHRSORNHTN-VIFPVBQESA-N 1 1 319.412 -1.313 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nc[nH]n3)[C@H]2C1 ZINC001218796691 780040788 /nfs/dbraw/zinc/04/07/88/780040788.db2.gz CLRWYTOQLZUELQ-OUAUKWLOSA-N 1 1 311.342 -1.663 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3nc[nH]n3)[C@H]2C1 ZINC001218796691 780040792 /nfs/dbraw/zinc/04/07/92/780040792.db2.gz CLRWYTOQLZUELQ-OUAUKWLOSA-N 1 1 311.342 -1.663 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnon3)[C@H]2C1 ZINC001218810039 780042415 /nfs/dbraw/zinc/04/24/15/780042415.db2.gz RMQHHEFJTMKATQ-ADEWGFFLSA-N 1 1 312.326 -1.398 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnon3)[C@H]2C1 ZINC001218810039 780042422 /nfs/dbraw/zinc/04/24/22/780042422.db2.gz RMQHHEFJTMKATQ-ADEWGFFLSA-N 1 1 312.326 -1.398 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCOC3)[C@H]2C1 ZINC001218893326 780042894 /nfs/dbraw/zinc/04/28/94/780042894.db2.gz RDVQJYQQHGPRRC-YIYPIFLZSA-N 1 1 314.382 -1.058 20 0 DAADMO [NH3+]CC(=O)NCC(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218879995 780043805 /nfs/dbraw/zinc/04/38/05/780043805.db2.gz PDNAKGXXTZJCGX-UHFFFAOYSA-N 1 1 319.365 -1.255 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 ZINC001218966168 780045245 /nfs/dbraw/zinc/04/52/45/780045245.db2.gz XBDCOOFFBSMBHR-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](C(C)C)C[C@@H]21 ZINC001219039637 780045274 /nfs/dbraw/zinc/04/52/74/780045274.db2.gz SUNXIAJYQFEUPH-WDEREUQCSA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001219039205 780046069 /nfs/dbraw/zinc/04/60/69/780046069.db2.gz ALOZYLFWBHOQMU-WDEREUQCSA-N 1 1 321.399 -1.906 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001219039205 780046074 /nfs/dbraw/zinc/04/60/74/780046074.db2.gz ALOZYLFWBHOQMU-WDEREUQCSA-N 1 1 321.399 -1.906 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079255 780047471 /nfs/dbraw/zinc/04/74/71/780047471.db2.gz TZMNJNKBTIWBLS-BBBLOLIVSA-N 1 1 312.313 -1.563 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001219077232 780047374 /nfs/dbraw/zinc/04/73/74/780047374.db2.gz NPJSXNNTKBYBQK-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001219077232 780047380 /nfs/dbraw/zinc/04/73/80/780047380.db2.gz NPJSXNNTKBYBQK-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001219079255 780047478 /nfs/dbraw/zinc/04/74/78/780047478.db2.gz TZMNJNKBTIWBLS-BBBLOLIVSA-N 1 1 312.313 -1.563 20 0 DAADMO NC(=O)CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219072143 780047507 /nfs/dbraw/zinc/04/75/07/780047507.db2.gz SHPCULGWADDKDL-GRYCIOLGSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001219072143 780047510 /nfs/dbraw/zinc/04/75/10/780047510.db2.gz SHPCULGWADDKDL-GRYCIOLGSA-N 1 1 324.381 -1.558 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC001219087565 780049515 /nfs/dbraw/zinc/04/95/15/780049515.db2.gz LAWCRSDJUXQXSQ-MJBXVCDLSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219107195 780052187 /nfs/dbraw/zinc/05/21/87/780052187.db2.gz WGQMXUQQMGTABG-WOPDTQHZSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219107195 780052194 /nfs/dbraw/zinc/05/21/94/780052194.db2.gz WGQMXUQQMGTABG-WOPDTQHZSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219110740 780052564 /nfs/dbraw/zinc/05/25/64/780052564.db2.gz WWANTSRBSBTIHF-OLZOCXBDSA-N 1 1 309.370 -1.740 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219107194 780052923 /nfs/dbraw/zinc/05/29/23/780052923.db2.gz WGQMXUQQMGTABG-UTUOFQBUSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219107194 780052931 /nfs/dbraw/zinc/05/29/31/780052931.db2.gz WGQMXUQQMGTABG-UTUOFQBUSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219111819 780053266 /nfs/dbraw/zinc/05/32/66/780053266.db2.gz HWETVFBNHNLYLR-TUAOUCFPSA-N 1 1 322.369 -1.937 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219105402 780053443 /nfs/dbraw/zinc/05/34/43/780053443.db2.gz YFIVYJTYIIMVEO-OLZOCXBDSA-N 1 1 309.370 -1.474 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219105402 780053446 /nfs/dbraw/zinc/05/34/46/780053446.db2.gz YFIVYJTYIIMVEO-OLZOCXBDSA-N 1 1 309.370 -1.474 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1=COCCO1 ZINC001219134912 780054759 /nfs/dbraw/zinc/05/47/59/780054759.db2.gz STHVAURSLDEOMG-MNOVXSKESA-N 1 1 302.327 -1.955 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1=COCCO1 ZINC001219134912 780054762 /nfs/dbraw/zinc/05/47/62/780054762.db2.gz STHVAURSLDEOMG-MNOVXSKESA-N 1 1 302.327 -1.955 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219151218 780056501 /nfs/dbraw/zinc/05/65/01/780056501.db2.gz HRELSGMWAVFYKD-RTXFEEFZSA-N 1 1 309.370 -1.431 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219151218 780056510 /nfs/dbraw/zinc/05/65/10/780056510.db2.gz HRELSGMWAVFYKD-RTXFEEFZSA-N 1 1 309.370 -1.431 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219151222 780056597 /nfs/dbraw/zinc/05/65/97/780056597.db2.gz HRELSGMWAVFYKD-UHTWSYAYSA-N 1 1 309.370 -1.431 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219151222 780056603 /nfs/dbraw/zinc/05/66/03/780056603.db2.gz HRELSGMWAVFYKD-UHTWSYAYSA-N 1 1 309.370 -1.431 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001219139603 780056713 /nfs/dbraw/zinc/05/67/13/780056713.db2.gz QSDNGSQNCCVMKW-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001219139603 780056715 /nfs/dbraw/zinc/05/67/15/780056715.db2.gz QSDNGSQNCCVMKW-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219151686 780058341 /nfs/dbraw/zinc/05/83/41/780058341.db2.gz PTJLHQFAFPFYON-IEBDPFPHSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219151686 780058350 /nfs/dbraw/zinc/05/83/50/780058350.db2.gz PTJLHQFAFPFYON-IEBDPFPHSA-N 1 1 323.340 -1.046 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219158546 780058543 /nfs/dbraw/zinc/05/85/43/780058543.db2.gz GLSSCMBYPCZVQY-TUAOUCFPSA-N 1 1 315.370 -2.223 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158653 780058836 /nfs/dbraw/zinc/05/88/36/780058836.db2.gz LJEIHIYRUJCKPT-BBBLOLIVSA-N 1 1 300.319 -3.158 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219159025 780059318 /nfs/dbraw/zinc/05/93/18/780059318.db2.gz ZTKPDORVVBYXNE-ZJUUUORDSA-N 1 1 300.319 -3.157 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219159025 780059327 /nfs/dbraw/zinc/05/93/27/780059327.db2.gz ZTKPDORVVBYXNE-ZJUUUORDSA-N 1 1 300.319 -3.157 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158828 780059381 /nfs/dbraw/zinc/05/93/81/780059381.db2.gz RBKUZUIVHDULQW-NEPJUHHUSA-N 1 1 312.374 -1.351 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219163576 780059816 /nfs/dbraw/zinc/05/98/16/780059816.db2.gz ZEORYCKISJYCPX-MNOVXSKESA-N 1 1 300.359 -1.757 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163483 780059885 /nfs/dbraw/zinc/05/98/85/780059885.db2.gz VUBZQHZZRVSXGP-MNOVXSKESA-N 1 1 302.375 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219163077 780060090 /nfs/dbraw/zinc/06/00/90/780060090.db2.gz DWUODXXMBDUZQH-MNOVXSKESA-N 1 1 300.359 -1.757 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219158915 780060140 /nfs/dbraw/zinc/06/01/40/780060140.db2.gz UVFVMLWHGBIULH-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001219168777 780062075 /nfs/dbraw/zinc/06/20/75/780062075.db2.gz MKIBTWRZSGKJGJ-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219169230 780062733 /nfs/dbraw/zinc/06/27/33/780062733.db2.gz ZMJROXYQDXLUMX-OLZOCXBDSA-N 1 1 322.365 -1.492 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001219187906 780064181 /nfs/dbraw/zinc/06/41/81/780064181.db2.gz OCUORPNWFVORHR-UPJWGTAASA-N 1 1 304.387 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219211741 780066297 /nfs/dbraw/zinc/06/62/97/780066297.db2.gz ALNUUIHKSNFVSZ-WOPDTQHZSA-N 1 1 304.343 -2.428 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219211741 780066305 /nfs/dbraw/zinc/06/63/05/780066305.db2.gz ALNUUIHKSNFVSZ-WOPDTQHZSA-N 1 1 304.343 -2.428 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001219212468 780066595 /nfs/dbraw/zinc/06/65/95/780066595.db2.gz TUHCVRYSIUNTTI-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219206857 780066734 /nfs/dbraw/zinc/06/67/34/780066734.db2.gz NHISMTGHGXPEPX-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219206857 780066738 /nfs/dbraw/zinc/06/67/38/780066738.db2.gz NHISMTGHGXPEPX-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219207081 780066805 /nfs/dbraw/zinc/06/68/05/780066805.db2.gz WQROODPLSWOZEC-UPJWGTAASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219206901 780066886 /nfs/dbraw/zinc/06/68/86/780066886.db2.gz PEMAEBKYOPWKRO-NEPJUHHUSA-N 1 1 313.358 -2.162 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219201076 780067191 /nfs/dbraw/zinc/06/71/91/780067191.db2.gz OSBRCLXPTMYHIV-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219223812 780070142 /nfs/dbraw/zinc/07/01/42/780070142.db2.gz UBLWDCQYJWCEID-NEPJUHHUSA-N 1 1 310.358 -2.082 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219223812 780070146 /nfs/dbraw/zinc/07/01/46/780070146.db2.gz UBLWDCQYJWCEID-NEPJUHHUSA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219223028 780070176 /nfs/dbraw/zinc/07/01/76/780070176.db2.gz AYKSMIDRYYFGSM-VWYCJHECSA-N 1 1 324.324 -1.155 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219223028 780070182 /nfs/dbraw/zinc/07/01/82/780070182.db2.gz AYKSMIDRYYFGSM-VWYCJHECSA-N 1 1 324.324 -1.155 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001219223824 780070470 /nfs/dbraw/zinc/07/04/70/780070470.db2.gz UIDRGWPRVGKKPO-AGIUHOORSA-N 1 1 318.370 -1.774 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCO2)[C@@H](O)C1 ZINC001219223824 780070477 /nfs/dbraw/zinc/07/04/77/780070477.db2.gz UIDRGWPRVGKKPO-AGIUHOORSA-N 1 1 318.370 -1.774 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001219242164 780070990 /nfs/dbraw/zinc/07/09/90/780070990.db2.gz HYQWLOUEDYYJPC-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001219242164 780070995 /nfs/dbraw/zinc/07/09/95/780070995.db2.gz HYQWLOUEDYYJPC-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219247867 780072322 /nfs/dbraw/zinc/07/23/22/780072322.db2.gz CMRWRGBEGTUDRC-MNOVXSKESA-N 1 1 316.383 -1.024 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@@H](O)C1 ZINC001219247867 780072328 /nfs/dbraw/zinc/07/23/28/780072328.db2.gz CMRWRGBEGTUDRC-MNOVXSKESA-N 1 1 316.383 -1.024 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219259698 780072740 /nfs/dbraw/zinc/07/27/40/780072740.db2.gz SZLBIEWFSLIVOM-RTXFEEFZSA-N 1 1 311.382 -1.290 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001219269358 780074233 /nfs/dbraw/zinc/07/42/33/780074233.db2.gz GKAXCXVLDSHQQE-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncs2)[C@@H](O)C1 ZINC001219269358 780074240 /nfs/dbraw/zinc/07/42/40/780074240.db2.gz GKAXCXVLDSHQQE-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](O)C1 ZINC001219272532 780075211 /nfs/dbraw/zinc/07/52/11/780075211.db2.gz MVCQEWQITQOKOR-RTXFEEFZSA-N 1 1 312.370 -1.489 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219272828 780075398 /nfs/dbraw/zinc/07/53/98/780075398.db2.gz XFOPBJBBQVUFBJ-MXWKQRLJSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219272828 780075403 /nfs/dbraw/zinc/07/54/03/780075403.db2.gz XFOPBJBBQVUFBJ-MXWKQRLJSA-N 1 1 313.354 -1.668 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n(C)n1 ZINC001219270170 780075969 /nfs/dbraw/zinc/07/59/69/780075969.db2.gz ZGCFIVRUGQWRHD-YPMHNXCESA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n(C)n1 ZINC001219270170 780075977 /nfs/dbraw/zinc/07/59/77/780075977.db2.gz ZGCFIVRUGQWRHD-YPMHNXCESA-N 1 1 312.370 -1.488 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219275035 780076072 /nfs/dbraw/zinc/07/60/72/780076072.db2.gz RUGGHNHAWGQMGM-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219289529 780076423 /nfs/dbraw/zinc/07/64/23/780076423.db2.gz NHYPOCKYBXGNKV-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219289529 780076435 /nfs/dbraw/zinc/07/64/35/780076435.db2.gz NHYPOCKYBXGNKV-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219293050 780077083 /nfs/dbraw/zinc/07/70/83/780077083.db2.gz HOSDRSYOIMOQOP-TUAOUCFPSA-N 1 1 317.386 -1.929 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219286990 780077105 /nfs/dbraw/zinc/07/71/05/780077105.db2.gz QMYADZMLYIULRX-UHTWSYAYSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219286990 780077110 /nfs/dbraw/zinc/07/71/10/780077110.db2.gz QMYADZMLYIULRX-UHTWSYAYSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219286989 780077177 /nfs/dbraw/zinc/07/71/77/780077177.db2.gz QMYADZMLYIULRX-RTXFEEFZSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219286989 780077188 /nfs/dbraw/zinc/07/71/88/780077188.db2.gz QMYADZMLYIULRX-RTXFEEFZSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219287165 780077274 /nfs/dbraw/zinc/07/72/74/780077274.db2.gz WLKCVPWBIGTVLC-MXWKQRLJSA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219287165 780077278 /nfs/dbraw/zinc/07/72/78/780077278.db2.gz WLKCVPWBIGTVLC-MXWKQRLJSA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219289528 780077635 /nfs/dbraw/zinc/07/76/35/780077635.db2.gz NHYPOCKYBXGNKV-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219289528 780077641 /nfs/dbraw/zinc/07/76/41/780077641.db2.gz NHYPOCKYBXGNKV-AEJSXWLSSA-N 1 1 314.342 -2.266 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219325714 780080740 /nfs/dbraw/zinc/08/07/40/780080740.db2.gz BJLRCLJTIVYRGT-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219325714 780080748 /nfs/dbraw/zinc/08/07/48/780080748.db2.gz BJLRCLJTIVYRGT-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCOC1 ZINC001219328921 780081613 /nfs/dbraw/zinc/08/16/13/780081613.db2.gz XJKDAEIBGBZODH-XQQFMLRXSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCOC1 ZINC001219328921 780081621 /nfs/dbraw/zinc/08/16/21/780081621.db2.gz XJKDAEIBGBZODH-XQQFMLRXSA-N 1 1 302.371 -1.417 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219350913 780081842 /nfs/dbraw/zinc/08/18/42/780081842.db2.gz QXTJFYILYJQDHX-UTUOFQBUSA-N 1 1 317.386 -1.929 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219357809 780083884 /nfs/dbraw/zinc/08/38/84/780083884.db2.gz LXILQLHNKLKTCU-MXWKQRLJSA-N 1 1 301.343 -2.565 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001219357809 780083897 /nfs/dbraw/zinc/08/38/97/780083897.db2.gz LXILQLHNKLKTCU-MXWKQRLJSA-N 1 1 301.343 -2.565 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219358022 780084276 /nfs/dbraw/zinc/08/42/76/780084276.db2.gz TYZYCLFYZJYHKJ-AGIUHOORSA-N 1 1 301.387 -1.749 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357831 780084699 /nfs/dbraw/zinc/08/46/99/780084699.db2.gz MOEHVVNKBKQUAT-RDBSUJKOSA-N 1 1 324.425 -1.232 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219376057 780085386 /nfs/dbraw/zinc/08/53/86/780085386.db2.gz LWVZXRBKHQSTEV-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219371614 780086286 /nfs/dbraw/zinc/08/62/86/780086286.db2.gz XOJNKCVXMPYQFI-UPJWGTAASA-N 1 1 312.414 -1.234 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](O)C1 ZINC001219371221 780086572 /nfs/dbraw/zinc/08/65/72/780086572.db2.gz QMKIPEGYVXFNBK-UHTWSYAYSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219400663 780089467 /nfs/dbraw/zinc/08/94/67/780089467.db2.gz AIUAPWBGCQGGRO-UPJWGTAASA-N 1 1 302.371 -1.417 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219385240 780090319 /nfs/dbraw/zinc/09/03/19/780090319.db2.gz HLHHEQNZERAYCQ-UTUOFQBUSA-N 1 1 306.359 -2.182 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001219401400 780091273 /nfs/dbraw/zinc/09/12/73/780091273.db2.gz ZDQPILZPQRRPJO-OLZOCXBDSA-N 1 1 312.370 -1.224 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001219401400 780091281 /nfs/dbraw/zinc/09/12/81/780091281.db2.gz ZDQPILZPQRRPJO-OLZOCXBDSA-N 1 1 312.370 -1.224 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219403956 780091720 /nfs/dbraw/zinc/09/17/20/780091720.db2.gz BALRIUSIVKNIHV-MXWKQRLJSA-N 1 1 311.342 -2.719 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001219403955 780091891 /nfs/dbraw/zinc/09/18/91/780091891.db2.gz BALRIUSIVKNIHV-AXFHLTTASA-N 1 1 311.342 -2.719 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001219404499 780092620 /nfs/dbraw/zinc/09/26/20/780092620.db2.gz UNDGBUNAWWGJEQ-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001219413162 780092709 /nfs/dbraw/zinc/09/27/09/780092709.db2.gz KTEAEBLREODVJF-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411221 780092733 /nfs/dbraw/zinc/09/27/33/780092733.db2.gz ALJPIGCLAKZDMJ-GRYCIOLGSA-N 1 1 314.386 -2.386 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411221 780092739 /nfs/dbraw/zinc/09/27/39/780092739.db2.gz ALJPIGCLAKZDMJ-GRYCIOLGSA-N 1 1 314.386 -2.386 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001219411625 780093115 /nfs/dbraw/zinc/09/31/15/780093115.db2.gz QQMYPHKOQGPJOB-MNOVXSKESA-N 1 1 310.358 -2.068 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001219411625 780093124 /nfs/dbraw/zinc/09/31/24/780093124.db2.gz QQMYPHKOQGPJOB-MNOVXSKESA-N 1 1 310.358 -2.068 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411685 780093820 /nfs/dbraw/zinc/09/38/20/780093820.db2.gz SYOBMTSPDIVTRH-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001219411470 780094066 /nfs/dbraw/zinc/09/40/66/780094066.db2.gz KPDLRSNTINEGGP-ZJUUUORDSA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001219411470 780094070 /nfs/dbraw/zinc/09/40/70/780094070.db2.gz KPDLRSNTINEGGP-ZJUUUORDSA-N 1 1 311.342 -1.653 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219413489 780095228 /nfs/dbraw/zinc/09/52/28/780095228.db2.gz SMWCTGIOEZRKLN-RNJXMRFFSA-N 1 1 313.276 -1.664 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O ZINC001219413489 780095230 /nfs/dbraw/zinc/09/52/30/780095230.db2.gz SMWCTGIOEZRKLN-RNJXMRFFSA-N 1 1 313.276 -1.664 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219413665 780095352 /nfs/dbraw/zinc/09/53/52/780095352.db2.gz ZGJKCJPJHZPOIS-MXWKQRLJSA-N 1 1 312.370 -2.061 20 0 DAADMO O=C(/C=C/C1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219430794 780096828 /nfs/dbraw/zinc/09/68/28/780096828.db2.gz OHIYYJCQKZECRO-LXYZTQFVSA-N 1 1 322.365 -1.334 20 0 DAADMO O=C(/C=C/C1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219430794 780096837 /nfs/dbraw/zinc/09/68/37/780096837.db2.gz OHIYYJCQKZECRO-LXYZTQFVSA-N 1 1 322.365 -1.334 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001219438903 780096928 /nfs/dbraw/zinc/09/69/28/780096928.db2.gz AOYSTCOGPRPMQV-OLZOCXBDSA-N 1 1 312.370 -1.569 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)n[nH]1 ZINC001219438903 780096936 /nfs/dbraw/zinc/09/69/36/780096936.db2.gz AOYSTCOGPRPMQV-OLZOCXBDSA-N 1 1 312.370 -1.569 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n[nH]1 ZINC001219438903 780096952 /nfs/dbraw/zinc/09/69/52/780096952.db2.gz AOYSTCOGPRPMQV-OLZOCXBDSA-N 1 1 312.370 -1.569 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219458098 780098570 /nfs/dbraw/zinc/09/85/70/780098570.db2.gz PNRRQBBCTYVBIM-UTUOFQBUSA-N 1 1 316.354 -1.890 20 0 DAADMO O=C(CC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219449922 780098832 /nfs/dbraw/zinc/09/88/32/780098832.db2.gz GNIJDVYYQVQCBT-MCIONIFRSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(CC[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219449923 780098980 /nfs/dbraw/zinc/09/89/80/780098980.db2.gz GNIJDVYYQVQCBT-MJBXVCDLSA-N 1 1 316.398 -1.027 20 0 DAADMO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219445591 780099138 /nfs/dbraw/zinc/09/91/38/780099138.db2.gz LYIWJAOHCKLSON-ZHFHSAFGSA-N 1 1 310.354 -1.334 20 0 DAADMO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219445591 780099142 /nfs/dbraw/zinc/09/91/42/780099142.db2.gz LYIWJAOHCKLSON-ZHFHSAFGSA-N 1 1 310.354 -1.334 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001219458062 780099339 /nfs/dbraw/zinc/09/93/39/780099339.db2.gz NRCHTWOILCDBSF-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001219458062 780099342 /nfs/dbraw/zinc/09/93/42/780099342.db2.gz NRCHTWOILCDBSF-YPMHNXCESA-N 1 1 312.370 -1.142 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219441055 780099644 /nfs/dbraw/zinc/09/96/44/780099644.db2.gz LODTXUGIYGJDHR-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219441055 780099651 /nfs/dbraw/zinc/09/96/51/780099651.db2.gz LODTXUGIYGJDHR-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219441055 780099659 /nfs/dbraw/zinc/09/96/59/780099659.db2.gz LODTXUGIYGJDHR-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219472636 780100647 /nfs/dbraw/zinc/10/06/47/780100647.db2.gz PALCWZHAGHJGNE-AGIUHOORSA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219472636 780100650 /nfs/dbraw/zinc/10/06/50/780100650.db2.gz PALCWZHAGHJGNE-AGIUHOORSA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001219469890 780100868 /nfs/dbraw/zinc/10/08/68/780100868.db2.gz YZXVYCGKJAOAIH-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001219469890 780100869 /nfs/dbraw/zinc/10/08/69/780100869.db2.gz YZXVYCGKJAOAIH-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472768 780101689 /nfs/dbraw/zinc/10/16/89/780101689.db2.gz POZAQKIMTFHFGK-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)on1 ZINC001219485307 780101782 /nfs/dbraw/zinc/10/17/82/780101782.db2.gz GAKRBJVCKAQHHH-ZJUUUORDSA-N 1 1 315.326 -1.533 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)on1 ZINC001219485307 780101784 /nfs/dbraw/zinc/10/17/84/780101784.db2.gz GAKRBJVCKAQHHH-ZJUUUORDSA-N 1 1 315.326 -1.533 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485087 780102322 /nfs/dbraw/zinc/10/23/22/780102322.db2.gz ANHONGRZLGBGSK-MNOVXSKESA-N 1 1 313.358 -1.428 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@@H](O)C1 ZINC001219488840 780103790 /nfs/dbraw/zinc/10/37/90/780103790.db2.gz YVPIESSRZQTBGH-TUAOUCFPSA-N 1 1 304.387 -1.030 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001219496066 780104318 /nfs/dbraw/zinc/10/43/18/780104318.db2.gz ZKDGUXNTQYCGKJ-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001219496066 780104324 /nfs/dbraw/zinc/10/43/24/780104324.db2.gz ZKDGUXNTQYCGKJ-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219495883 780104918 /nfs/dbraw/zinc/10/49/18/780104918.db2.gz SGAJOBAXJXVJET-MXWKQRLJSA-N 1 1 303.359 -2.319 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219517252 780109253 /nfs/dbraw/zinc/10/92/53/780109253.db2.gz RWCVVTDPAHRZNR-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219513005 780109680 /nfs/dbraw/zinc/10/96/80/780109680.db2.gz JFVMXKFOHRXSET-XQQFMLRXSA-N 1 1 315.370 -2.367 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521503 780111470 /nfs/dbraw/zinc/11/14/70/780111470.db2.gz MBCASJOTPPWIIO-AXFHLTTASA-N 1 1 302.375 -1.371 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219527300 780112076 /nfs/dbraw/zinc/11/20/76/780112076.db2.gz LVDVGHXEQOTINK-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219527300 780112082 /nfs/dbraw/zinc/11/20/82/780112082.db2.gz LVDVGHXEQOTINK-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219531674 780112387 /nfs/dbraw/zinc/11/23/87/780112387.db2.gz YWNQJSMSNYPIHM-NEPJUHHUSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219531674 780112395 /nfs/dbraw/zinc/11/23/95/780112395.db2.gz YWNQJSMSNYPIHM-NEPJUHHUSA-N 1 1 312.370 -1.313 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547052 780113885 /nfs/dbraw/zinc/11/38/85/780113885.db2.gz MTAIWROGOHRRKP-WOPDTQHZSA-N 1 1 315.370 -1.071 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547052 780113892 /nfs/dbraw/zinc/11/38/92/780113892.db2.gz MTAIWROGOHRRKP-WOPDTQHZSA-N 1 1 315.370 -1.071 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219546736 780114408 /nfs/dbraw/zinc/11/44/08/780114408.db2.gz ISDIUFKAZVJAOY-HLTSFMKQSA-N 1 1 323.296 -1.462 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219546736 780114413 /nfs/dbraw/zinc/11/44/13/780114413.db2.gz ISDIUFKAZVJAOY-HLTSFMKQSA-N 1 1 323.296 -1.462 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547073 780114801 /nfs/dbraw/zinc/11/48/01/780114801.db2.gz NKNGMQSLFUBJOU-MXWKQRLJSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547073 780114807 /nfs/dbraw/zinc/11/48/07/780114807.db2.gz NKNGMQSLFUBJOU-MXWKQRLJSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547075 780114838 /nfs/dbraw/zinc/11/48/38/780114838.db2.gz NKNGMQSLFUBJOU-VWYCJHECSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547075 780114843 /nfs/dbraw/zinc/11/48/43/780114843.db2.gz NKNGMQSLFUBJOU-VWYCJHECSA-N 1 1 317.342 -2.081 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219563146 780117199 /nfs/dbraw/zinc/11/71/99/780117199.db2.gz FMUXBMNBOALLAK-GRYCIOLGSA-N 1 1 314.386 -1.810 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219563146 780117204 /nfs/dbraw/zinc/11/72/04/780117204.db2.gz FMUXBMNBOALLAK-GRYCIOLGSA-N 1 1 314.386 -1.810 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219563171 780117833 /nfs/dbraw/zinc/11/78/33/780117833.db2.gz GQWGXVFCKDIXCM-FOGDFJRCSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219563171 780117840 /nfs/dbraw/zinc/11/78/40/780117840.db2.gz GQWGXVFCKDIXCM-FOGDFJRCSA-N 1 1 313.358 -1.920 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001219558522 780117904 /nfs/dbraw/zinc/11/79/04/780117904.db2.gz VXKVAFHRLYNISL-MNOVXSKESA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001219558522 780117908 /nfs/dbraw/zinc/11/79/08/780117908.db2.gz VXKVAFHRLYNISL-MNOVXSKESA-N 1 1 313.358 -1.747 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219571359 780118884 /nfs/dbraw/zinc/11/88/84/780118884.db2.gz QARVZWFGXBFYMQ-MXWKQRLJSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219571505 780118963 /nfs/dbraw/zinc/11/89/63/780118963.db2.gz SSIJQNDPEWLQOR-AXFHLTTASA-N 1 1 302.375 -1.498 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)NCCC(=O)N1CCOCC1 ZINC001219573791 780119231 /nfs/dbraw/zinc/11/92/31/780119231.db2.gz VXOQAFOVSIIRNT-JTQLQIEISA-N 1 1 301.343 -1.368 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219593158 780120603 /nfs/dbraw/zinc/12/06/03/780120603.db2.gz FGRTVBMOOZKFOS-NEPJUHHUSA-N 1 1 302.371 -1.538 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001219593362 780120940 /nfs/dbraw/zinc/12/09/40/780120940.db2.gz OHIPAAHIEFNNOK-UTUOFQBUSA-N 1 1 302.371 -1.540 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595508 780122820 /nfs/dbraw/zinc/12/28/20/780122820.db2.gz CRTVRMRXNKPFOO-VIFPVBQESA-N 1 1 308.404 -1.777 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219609152 780124212 /nfs/dbraw/zinc/12/42/12/780124212.db2.gz DSLMCDPEQOQDMK-ZJUUUORDSA-N 1 1 324.403 -3.122 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219616874 780125583 /nfs/dbraw/zinc/12/55/83/780125583.db2.gz JXLQCYVVEIVIPK-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001219617760 780125611 /nfs/dbraw/zinc/12/56/11/780125611.db2.gz ZIJGRMBMMMMRLZ-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621565 780126593 /nfs/dbraw/zinc/12/65/93/780126593.db2.gz CTFAEMRXSMCNHX-HNCHTBHHSA-N 1 1 303.334 -1.684 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCCC1=O ZINC001219620455 780127066 /nfs/dbraw/zinc/12/70/66/780127066.db2.gz CXIQTCWSGWFQGE-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001219656347 780128037 /nfs/dbraw/zinc/12/80/37/780128037.db2.gz ZANMSVNNHAKCTP-LOWVWBTDSA-N 1 1 324.381 -1.389 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638584 780128400 /nfs/dbraw/zinc/12/84/00/780128400.db2.gz XZDRNPBAISVINW-AEJSXWLSSA-N 1 1 300.319 -3.158 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675233 780130309 /nfs/dbraw/zinc/13/03/09/780130309.db2.gz SRXZZKXSRUTVLB-TUAOUCFPSA-N 1 1 317.386 -1.665 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219672170 780130405 /nfs/dbraw/zinc/13/04/05/780130405.db2.gz ICOLGNYIQKUXKP-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219672170 780130407 /nfs/dbraw/zinc/13/04/07/780130407.db2.gz ICOLGNYIQKUXKP-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](O)C1 ZINC001219672214 780130531 /nfs/dbraw/zinc/13/05/31/780130531.db2.gz JWHUEZXHTFUPCA-RTXFEEFZSA-N 1 1 322.365 -1.647 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)[C@@H](O)C1 ZINC001219675346 780130577 /nfs/dbraw/zinc/13/05/77/780130577.db2.gz YLSHVEPKRJNLEV-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219675277 780130890 /nfs/dbraw/zinc/13/08/90/780130890.db2.gz VEBSEUWXHIUGDE-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219683804 780133856 /nfs/dbraw/zinc/13/38/56/780133856.db2.gz FAIZNATXYRUNPX-AXFHLTTASA-N 1 1 305.350 -1.342 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219681288 780134507 /nfs/dbraw/zinc/13/45/07/780134507.db2.gz WCNGSOTXTGHZCQ-NEPJUHHUSA-N 1 1 311.338 -1.447 20 0 DAADMO Nc1cnc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cn1 ZINC001219680770 780134576 /nfs/dbraw/zinc/13/45/76/780134576.db2.gz YEXQVHZOUNBGAT-UHFFFAOYSA-N 1 1 314.371 -1.976 20 0 DAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1COCCN1 ZINC001219678342 780134790 /nfs/dbraw/zinc/13/47/90/780134790.db2.gz LGPUZWHYGTYMGQ-JTQLQIEISA-N 1 1 306.388 -2.674 20 0 DAADMO CN(C(=O)CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1)C1CC1 ZINC001219692500 780135519 /nfs/dbraw/zinc/13/55/19/780135519.db2.gz BQYXATKHGYGHFC-ZDUSSCGKSA-N 1 1 311.430 -1.136 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219705181 780136119 /nfs/dbraw/zinc/13/61/19/780136119.db2.gz YCMLWJLGHSMNJB-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219705181 780136123 /nfs/dbraw/zinc/13/61/23/780136123.db2.gz YCMLWJLGHSMNJB-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c(C)nn1 ZINC001219702450 780136470 /nfs/dbraw/zinc/13/64/70/780136470.db2.gz OBPMQSKPUVUQGO-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c(C)nn1 ZINC001219702450 780136475 /nfs/dbraw/zinc/13/64/75/780136475.db2.gz OBPMQSKPUVUQGO-KGLIPLIRSA-N 1 1 324.381 -1.123 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705075 780136696 /nfs/dbraw/zinc/13/66/96/780136696.db2.gz SIVWXCWCDPQLJE-UTUOFQBUSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705075 780136697 /nfs/dbraw/zinc/13/66/97/780136697.db2.gz SIVWXCWCDPQLJE-UTUOFQBUSA-N 1 1 324.385 -1.517 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1=O ZINC001219731919 780137852 /nfs/dbraw/zinc/13/78/52/780137852.db2.gz KCMPJAYEKKDXBT-UTUOFQBUSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1=O ZINC001219731919 780137857 /nfs/dbraw/zinc/13/78/57/780137857.db2.gz KCMPJAYEKKDXBT-UTUOFQBUSA-N 1 1 315.370 -2.365 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219730024 780137995 /nfs/dbraw/zinc/13/79/95/780137995.db2.gz SEZJIFJKSDYOQO-TUAOUCFPSA-N 1 1 301.387 -1.357 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734818 780139668 /nfs/dbraw/zinc/13/96/68/780139668.db2.gz FQHBAGBXWYTAIJ-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734849 780139841 /nfs/dbraw/zinc/13/98/41/780139841.db2.gz HAEVPAWYKBIKDV-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)S(C)(=O)=O ZINC001219736140 780139910 /nfs/dbraw/zinc/13/99/10/780139910.db2.gz HAXKQWRPNXPANL-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001219733204 780139979 /nfs/dbraw/zinc/13/99/79/780139979.db2.gz CVUQSXGOJGFZBT-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734906 780139990 /nfs/dbraw/zinc/13/99/90/780139990.db2.gz JZANTBYONFXBCX-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO COC(=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746581 780140587 /nfs/dbraw/zinc/14/05/87/780140587.db2.gz LCWUAWBKPGDXRS-VIFPVBQESA-N 1 1 310.358 -1.332 20 0 DAADMO COC(=O)CC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746578 780140861 /nfs/dbraw/zinc/14/08/61/780140861.db2.gz LCWUAWBKPGDXRS-SECBINFHSA-N 1 1 310.358 -1.332 20 0 DAADMO C[C@]1(C(=O)NCc2nnc3n2CCCNC3)CC[NH2+]C[C@H]1O ZINC001219748795 780141577 /nfs/dbraw/zinc/14/15/77/780141577.db2.gz CLKOVHZXMYRPBQ-YGRLFVJLSA-N 1 1 308.386 -1.252 20 0 DAADMO O=C(C[C@]1(O)CCC[NH2+]C1)NCc1nnc2n1CCCNC2 ZINC001219750014 780142729 /nfs/dbraw/zinc/14/27/29/780142729.db2.gz UKBBHIFXYITCBR-CQSZACIVSA-N 1 1 308.386 -1.108 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219750201 780142909 /nfs/dbraw/zinc/14/29/09/780142909.db2.gz XGVRGOXWXTWTKX-IINYFYTJSA-N 1 1 305.386 -1.661 20 0 DAADMO NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219748995 780143260 /nfs/dbraw/zinc/14/32/60/780143260.db2.gz GTDBLJSHNCDVHK-SECBINFHSA-N 1 1 324.389 -1.837 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCOCC1 ZINC001219765461 780144388 /nfs/dbraw/zinc/14/43/88/780144388.db2.gz KIIGACKZEQZEHP-NEPJUHHUSA-N 1 1 302.371 -1.417 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCOCC1 ZINC001219765461 780144389 /nfs/dbraw/zinc/14/43/89/780144389.db2.gz KIIGACKZEQZEHP-NEPJUHHUSA-N 1 1 302.371 -1.417 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1)OC ZINC001219755735 780144870 /nfs/dbraw/zinc/14/48/70/780144870.db2.gz JQCKZGXPCQKMSL-AXFHLTTASA-N 1 1 302.375 -1.498 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219772483 780145924 /nfs/dbraw/zinc/14/59/24/780145924.db2.gz MDRRWZLQXAWNRX-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219772483 780145932 /nfs/dbraw/zinc/14/59/32/780145932.db2.gz MDRRWZLQXAWNRX-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1(F)CCOCC1 ZINC001219767545 780146216 /nfs/dbraw/zinc/14/62/16/780146216.db2.gz XAHLCZRJOWTCKX-NEPJUHHUSA-N 1 1 320.361 -1.325 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1(F)CCOCC1 ZINC001219767545 780146224 /nfs/dbraw/zinc/14/62/24/780146224.db2.gz XAHLCZRJOWTCKX-NEPJUHHUSA-N 1 1 320.361 -1.325 20 0 DAADMO CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219800723 780148439 /nfs/dbraw/zinc/14/84/39/780148439.db2.gz VHEIXZJJNMVMFZ-AGIUHOORSA-N 1 1 311.386 -2.033 20 0 DAADMO CN(C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219800723 780148444 /nfs/dbraw/zinc/14/84/44/780148444.db2.gz VHEIXZJJNMVMFZ-AGIUHOORSA-N 1 1 311.386 -2.033 20 0 DAADMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219796755 780148496 /nfs/dbraw/zinc/14/84/96/780148496.db2.gz OTNGIQRDCYJPMB-OLZOCXBDSA-N 1 1 324.381 -1.115 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800780 780148540 /nfs/dbraw/zinc/14/85/40/780148540.db2.gz MZCTXCUINNBGIA-RYUDHWBXSA-N 1 1 310.398 -1.179 20 0 DAADMO CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219800724 780148582 /nfs/dbraw/zinc/14/85/82/780148582.db2.gz VHEIXZJJNMVMFZ-UPJWGTAASA-N 1 1 311.386 -2.033 20 0 DAADMO CN(C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219800724 780148589 /nfs/dbraw/zinc/14/85/89/780148589.db2.gz VHEIXZJJNMVMFZ-UPJWGTAASA-N 1 1 311.386 -2.033 20 0 DAADMO O=C(NCc1noc2c1CNCC2)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219809538 780149667 /nfs/dbraw/zinc/14/96/67/780149667.db2.gz OKMOCJNETLIDHB-GFCCVEGCSA-N 1 1 305.338 -1.585 20 0 DAADMO NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219809958 780149867 /nfs/dbraw/zinc/14/98/67/780149867.db2.gz XHIPKFXAICGMFN-SECBINFHSA-N 1 1 310.358 -1.288 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822647 780151220 /nfs/dbraw/zinc/15/12/20/780151220.db2.gz RAXHXRKNPOYLFL-OLZOCXBDSA-N 1 1 324.381 -1.018 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001219818171 780151981 /nfs/dbraw/zinc/15/19/81/780151981.db2.gz LFMWQMJTEWSMHP-AXFHLTTASA-N 1 1 312.370 -1.064 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816059 780152029 /nfs/dbraw/zinc/15/20/29/780152029.db2.gz WUVYOCYZMYJLOO-UPJWGTAASA-N 1 1 312.414 -1.104 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001219810649 780152181 /nfs/dbraw/zinc/15/21/81/780152181.db2.gz ZDXATXLIRIVNEW-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825819 780152463 /nfs/dbraw/zinc/15/24/63/780152463.db2.gz LMXRDVOPFRPOJH-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812229 780152679 /nfs/dbraw/zinc/15/26/79/780152679.db2.gz SVPYSUWJBMXSNE-OLZOCXBDSA-N 1 1 322.413 -1.039 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833570 780153463 /nfs/dbraw/zinc/15/34/63/780153463.db2.gz DZKCQBWTCWSKDC-DYEKYZERSA-N 1 1 315.370 -1.612 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834877 780153590 /nfs/dbraw/zinc/15/35/90/780153590.db2.gz TWASEUZVEXISIN-YDHLFZDLSA-N 1 1 323.397 -1.278 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833573 780153599 /nfs/dbraw/zinc/15/35/99/780153599.db2.gz DZKCQBWTCWSKDC-MBNYWOFBSA-N 1 1 315.370 -1.612 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001219839582 780154697 /nfs/dbraw/zinc/15/46/97/780154697.db2.gz SHMBELQIHNTLGX-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001219839582 780154702 /nfs/dbraw/zinc/15/47/02/780154702.db2.gz SHMBELQIHNTLGX-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219848732 780156096 /nfs/dbraw/zinc/15/60/96/780156096.db2.gz SCCFZDVWVXFNMQ-BBBLOLIVSA-N 1 1 314.342 -1.794 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219847175 780156163 /nfs/dbraw/zinc/15/61/63/780156163.db2.gz XQZNNKRWMPHVBT-MXWKQRLJSA-N 1 1 301.387 -1.180 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845797 780156719 /nfs/dbraw/zinc/15/67/19/780156719.db2.gz SXODHOSFOBTYGD-MQYQWHSLSA-N 1 1 317.430 -1.259 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219851167 780157640 /nfs/dbraw/zinc/15/76/40/780157640.db2.gz DMTKCIINRDBCOL-KKOKHZNYSA-N 1 1 315.370 -2.176 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219851168 780157696 /nfs/dbraw/zinc/15/76/96/780157696.db2.gz DMTKCIINRDBCOL-QCNOEVLYSA-N 1 1 315.370 -2.176 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219851217 780157757 /nfs/dbraw/zinc/15/77/57/780157757.db2.gz GNGILRHUTBRKJL-TUUUFIMRSA-N 1 1 302.371 -1.418 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219851217 780157761 /nfs/dbraw/zinc/15/77/61/780157761.db2.gz GNGILRHUTBRKJL-TUUUFIMRSA-N 1 1 302.371 -1.418 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219879395 780158781 /nfs/dbraw/zinc/15/87/81/780158781.db2.gz JNFYYKVBEWIYOE-RDBSUJKOSA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1nccc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219864238 780159077 /nfs/dbraw/zinc/15/90/77/780159077.db2.gz LFQYNJVEAUSJQN-OLZOCXBDSA-N 1 1 312.370 -1.520 20 0 DAADMO COC(=O)[C@@H](NC(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H](C)O ZINC001219881004 780159266 /nfs/dbraw/zinc/15/92/66/780159266.db2.gz OJSBGSRNSXWZAM-MIMYLULJSA-N 1 1 302.375 -2.225 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867884 780159675 /nfs/dbraw/zinc/15/96/75/780159675.db2.gz UBXNZFHJDRZDRC-YIYPIFLZSA-N 1 1 315.414 -1.097 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219896639 780160893 /nfs/dbraw/zinc/16/08/93/780160893.db2.gz BDJUGQNANJVRDT-GDPRMGEGSA-N 1 1 316.358 -3.219 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219897125 780161028 /nfs/dbraw/zinc/16/10/28/780161028.db2.gz YGKKLAJFCBLMLI-NEPJUHHUSA-N 1 1 312.370 -2.190 20 0 DAADMO [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001219904672 780162891 /nfs/dbraw/zinc/16/28/91/780162891.db2.gz YTUGHTJSHAOPFO-XVKPBYJWSA-N 1 1 301.372 -1.838 20 0 DAADMO O=C(CCOC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219932384 780164138 /nfs/dbraw/zinc/16/41/38/780164138.db2.gz HAGGVJIGMPNCMU-UPJWGTAASA-N 1 1 302.371 -1.274 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](O)C1 ZINC001219929970 780164296 /nfs/dbraw/zinc/16/42/96/780164296.db2.gz PVOICWUQZSIALP-BIMULSAOSA-N 1 1 324.381 -1.319 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1)OC ZINC001219926350 780164543 /nfs/dbraw/zinc/16/45/43/780164543.db2.gz QBXDNHYDQAWCMW-AEJSXWLSSA-N 1 1 323.340 -1.046 20 0 DAADMO CCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC1 ZINC001219954863 780165586 /nfs/dbraw/zinc/16/55/86/780165586.db2.gz VXYRTRKNJPHDCM-JQWIXIFHSA-N 1 1 300.403 -1.199 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001219951476 780166325 /nfs/dbraw/zinc/16/63/25/780166325.db2.gz LPNXWPIUESLQPG-YPMHNXCESA-N 1 1 324.381 -1.065 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219940008 780166494 /nfs/dbraw/zinc/16/64/94/780166494.db2.gz UDROOCQOKZHISE-NEPJUHHUSA-N 1 1 310.354 -1.423 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969478 780167711 /nfs/dbraw/zinc/16/77/11/780167711.db2.gz BIAZAGFQERVWSZ-JQWIXIFHSA-N 1 1 310.402 -1.635 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001219998324 780168869 /nfs/dbraw/zinc/16/88/69/780168869.db2.gz FNYKETYAEPSJGE-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220010887 780169954 /nfs/dbraw/zinc/16/99/54/780169954.db2.gz HQBJQWWITIBOOB-ZJUUUORDSA-N 1 1 324.341 -2.452 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012884 780171167 /nfs/dbraw/zinc/17/11/67/780171167.db2.gz SGLPKAPVJJCXGK-UPJWGTAASA-N 1 1 313.354 -1.224 20 0 DAADMO CC1(CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220035411 780172179 /nfs/dbraw/zinc/17/21/79/780172179.db2.gz ORSBGDBFINRTPC-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO CC1(CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001220035411 780172184 /nfs/dbraw/zinc/17/21/84/780172184.db2.gz ORSBGDBFINRTPC-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220040775 780172313 /nfs/dbraw/zinc/17/23/13/780172313.db2.gz GKGNKRMCVBHMKH-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001220028020 780172386 /nfs/dbraw/zinc/17/23/86/780172386.db2.gz SVOPFICSQGZEMH-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001220028020 780172389 /nfs/dbraw/zinc/17/23/89/780172389.db2.gz SVOPFICSQGZEMH-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(CO)CCOCC1 ZINC001220018694 780172577 /nfs/dbraw/zinc/17/25/77/780172577.db2.gz OGOYVQPKJCZIHG-LBPRGKRZSA-N 1 1 300.403 -1.606 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CNC(=O)C1 ZINC001220048155 780174023 /nfs/dbraw/zinc/17/40/23/780174023.db2.gz NFJNTGGQLCMBJP-UHIISALHSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CNC(=O)C1 ZINC001220048155 780174026 /nfs/dbraw/zinc/17/40/26/780174026.db2.gz NFJNTGGQLCMBJP-UHIISALHSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066768 780174763 /nfs/dbraw/zinc/17/47/63/780174763.db2.gz YGPDIIXLHBTZPY-AXFHLTTASA-N 1 1 313.358 -2.486 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O)S(N)(=O)=O ZINC001220069166 780174888 /nfs/dbraw/zinc/17/48/88/780174888.db2.gz WOLFUEKVTVFRGW-VWYCJHECSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O)S(N)(=O)=O ZINC001220069166 780174893 /nfs/dbraw/zinc/17/48/93/780174893.db2.gz WOLFUEKVTVFRGW-VWYCJHECSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068900 780174904 /nfs/dbraw/zinc/17/49/04/780174904.db2.gz QYZVIBVFIXRWAJ-UTLUCORTSA-N 1 1 309.388 -2.403 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068900 780174909 /nfs/dbraw/zinc/17/49/09/780174909.db2.gz QYZVIBVFIXRWAJ-UTLUCORTSA-N 1 1 309.388 -2.403 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001220066575 780175494 /nfs/dbraw/zinc/17/54/94/780175494.db2.gz MZYRZLOOIMGULF-MNOVXSKESA-N 1 1 313.358 -2.484 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220075707 780175554 /nfs/dbraw/zinc/17/55/54/780175554.db2.gz GHYPYLNSTFMJLE-YIZRAAEISA-N 1 1 310.376 -3.418 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@@H](O)C1 ZINC001220082478 780176863 /nfs/dbraw/zinc/17/68/63/780176863.db2.gz SPVACCQCXVEMRK-MBNYWOFBSA-N 1 1 302.371 -1.153 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)C[C@@H]1O ZINC001220076383 780177505 /nfs/dbraw/zinc/17/75/05/780177505.db2.gz YJRLVNITQVBCGM-MNOVXSKESA-N 1 1 320.415 -1.832 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001220103914 780178138 /nfs/dbraw/zinc/17/81/38/780178138.db2.gz OMHYBZISRRILGA-UPJWGTAASA-N 1 1 312.370 -1.558 20 0 DAADMO O=C(CNC(=O)Nc1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220103788 780178815 /nfs/dbraw/zinc/17/88/15/780178815.db2.gz IRGPOAHMIHCNHN-OLZOCXBDSA-N 1 1 322.365 -1.038 20 0 DAADMO CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001220122120 780181886 /nfs/dbraw/zinc/18/18/86/780181886.db2.gz JCQMAMUDUSWKFO-TYHIMRJMSA-N 1 1 324.425 -1.064 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220135189 780183298 /nfs/dbraw/zinc/18/32/98/780183298.db2.gz AIDRUAKOTYLNMG-AXFHLTTASA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220135189 780183304 /nfs/dbraw/zinc/18/33/04/780183304.db2.gz AIDRUAKOTYLNMG-AXFHLTTASA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220136247 780183513 /nfs/dbraw/zinc/18/35/13/780183513.db2.gz UBOGTZBHYWYGIX-MXWKQRLJSA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220136247 780183518 /nfs/dbraw/zinc/18/35/18/780183518.db2.gz UBOGTZBHYWYGIX-MXWKQRLJSA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220138360 780184597 /nfs/dbraw/zinc/18/45/97/780184597.db2.gz YETMMJXCLPLTBH-BBBLOLIVSA-N 1 1 323.340 -1.059 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220138360 780184602 /nfs/dbraw/zinc/18/46/02/780184602.db2.gz YETMMJXCLPLTBH-BBBLOLIVSA-N 1 1 323.340 -1.059 20 0 DAADMO CO[C@@H]1COCC[C@H]1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220141442 780184660 /nfs/dbraw/zinc/18/46/60/780184660.db2.gz MXDDPGSVNNDUPQ-JHJVBQTASA-N 1 1 300.403 -1.343 20 0 DAADMO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220141443 780184772 /nfs/dbraw/zinc/18/47/72/780184772.db2.gz MXDDPGSVNNDUPQ-YNEHKIRRSA-N 1 1 300.403 -1.343 20 0 DAADMO CC[C@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220152300 780186071 /nfs/dbraw/zinc/18/60/71/780186071.db2.gz BONFOJIQCOTAAW-AXFHLTTASA-N 1 1 302.350 -1.079 20 0 DAADMO CC[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220152300 780186075 /nfs/dbraw/zinc/18/60/75/780186075.db2.gz BONFOJIQCOTAAW-AXFHLTTASA-N 1 1 302.350 -1.079 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220151587 780186796 /nfs/dbraw/zinc/18/67/96/780186796.db2.gz YMUKZIGVNDQEEX-USZNOCQGSA-N 1 1 315.370 -2.224 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001220166443 780187682 /nfs/dbraw/zinc/18/76/82/780187682.db2.gz YFLMENUFPFCJKZ-CRWXNKLISA-N 1 1 315.414 -1.361 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001220174654 780188284 /nfs/dbraw/zinc/18/82/84/780188284.db2.gz MHXYTFCOSYSXMB-UTUOFQBUSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001220174654 780188288 /nfs/dbraw/zinc/18/82/88/780188288.db2.gz MHXYTFCOSYSXMB-UTUOFQBUSA-N 1 1 315.370 -2.365 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220166030 780188384 /nfs/dbraw/zinc/18/83/84/780188384.db2.gz QUKREWWDVQURFD-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220166030 780188389 /nfs/dbraw/zinc/18/83/89/780188389.db2.gz QUKREWWDVQURFD-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1ccc(CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)cc1=O ZINC001220179773 780189289 /nfs/dbraw/zinc/18/92/89/780189289.db2.gz RNQOOSJSKLPWOP-CYBMUJFWSA-N 1 1 307.398 -1.248 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001220178444 780189302 /nfs/dbraw/zinc/18/93/02/780189302.db2.gz KWULAYGOQNTJIG-SCZZXKLOSA-N 1 1 317.367 -1.368 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001220178444 780189307 /nfs/dbraw/zinc/18/93/07/780189307.db2.gz KWULAYGOQNTJIG-SCZZXKLOSA-N 1 1 317.367 -1.368 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220224456 780190599 /nfs/dbraw/zinc/19/05/99/780190599.db2.gz ODXJEWLVDQPUJR-GDPRMGEGSA-N 1 1 312.326 -2.448 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1C ZINC001220214399 780190707 /nfs/dbraw/zinc/19/07/07/780190707.db2.gz AYAYJNRVTXBJQZ-YPMHNXCESA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1C ZINC001220214399 780190712 /nfs/dbraw/zinc/19/07/12/780190712.db2.gz AYAYJNRVTXBJQZ-YPMHNXCESA-N 1 1 312.370 -1.488 20 0 DAADMO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220214497 780191155 /nfs/dbraw/zinc/19/11/55/780191155.db2.gz FCXICOUWPPCUBK-MCIONIFRSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220214497 780191159 /nfs/dbraw/zinc/19/11/59/780191159.db2.gz FCXICOUWPPCUBK-MCIONIFRSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236905 780192966 /nfs/dbraw/zinc/19/29/66/780192966.db2.gz JSRXBJLYGVFZEQ-TUAOUCFPSA-N 1 1 314.386 -1.356 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237119 780193053 /nfs/dbraw/zinc/19/30/53/780193053.db2.gz NVZUSIVLKGGVEV-MXWKQRLJSA-N 1 1 300.359 -1.746 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220242076 780193448 /nfs/dbraw/zinc/19/34/48/780193448.db2.gz JGACRAKHVCPXEV-ZJUUUORDSA-N 1 1 311.379 -1.424 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220237429 780193635 /nfs/dbraw/zinc/19/36/35/780193635.db2.gz VYBRJNVAHKEIOL-UTUOFQBUSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220237429 780193638 /nfs/dbraw/zinc/19/36/38/780193638.db2.gz VYBRJNVAHKEIOL-UTUOFQBUSA-N 1 1 312.370 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001220242711 780193752 /nfs/dbraw/zinc/19/37/52/780193752.db2.gz CTQKHLJQCJYETH-MCIONIFRSA-N 1 1 321.377 -1.373 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249647 780195594 /nfs/dbraw/zinc/19/55/94/780195594.db2.gz UFARPEAEWHEWCC-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220256219 780196688 /nfs/dbraw/zinc/19/66/88/780196688.db2.gz HEBRWNBIXNRAOI-ZJUUUORDSA-N 1 1 301.343 -2.578 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220256219 780196694 /nfs/dbraw/zinc/19/66/94/780196694.db2.gz HEBRWNBIXNRAOI-ZJUUUORDSA-N 1 1 301.343 -2.578 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257516 780196851 /nfs/dbraw/zinc/19/68/51/780196851.db2.gz BPTFKYNYLGXIKV-TUAOUCFPSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001220257830 780196903 /nfs/dbraw/zinc/19/69/03/780196903.db2.gz QKRNFXFTUYTSNL-NEPJUHHUSA-N 1 1 311.382 -1.160 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220268388 780197233 /nfs/dbraw/zinc/19/72/33/780197233.db2.gz GQPHWELUVXPNGG-LLVKDONJSA-N 1 1 321.447 -2.256 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257517 780197434 /nfs/dbraw/zinc/19/74/34/780197434.db2.gz BPTFKYNYLGXIKV-UTUOFQBUSA-N 1 1 311.382 -1.160 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@@H](O)C1 ZINC001220272141 780197921 /nfs/dbraw/zinc/19/79/21/780197921.db2.gz QSDVRFPLIFOHRF-XQQFMLRXSA-N 1 1 309.370 -1.362 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220272141 780197929 /nfs/dbraw/zinc/19/79/29/780197929.db2.gz QSDVRFPLIFOHRF-XQQFMLRXSA-N 1 1 309.370 -1.362 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220272141 780197939 /nfs/dbraw/zinc/19/79/39/780197939.db2.gz QSDVRFPLIFOHRF-XQQFMLRXSA-N 1 1 309.370 -1.362 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)[nH]c1=O ZINC001220274980 780198798 /nfs/dbraw/zinc/19/87/98/780198798.db2.gz KGSAWIGUKQLPMO-KOLCDFICSA-N 1 1 314.342 -2.091 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)[nH]c1=O ZINC001220274980 780198801 /nfs/dbraw/zinc/19/88/01/780198801.db2.gz KGSAWIGUKQLPMO-KOLCDFICSA-N 1 1 314.342 -2.091 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220307042 780201512 /nfs/dbraw/zinc/20/15/12/780201512.db2.gz RENKTUWMSSLQBJ-RYUDHWBXSA-N 1 1 315.418 -2.436 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220307042 780201518 /nfs/dbraw/zinc/20/15/18/780201518.db2.gz RENKTUWMSSLQBJ-RYUDHWBXSA-N 1 1 315.418 -2.436 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220347141 780204073 /nfs/dbraw/zinc/20/40/73/780204073.db2.gz JUSFTNKRZUZLPL-NOOOWODRSA-N 1 1 315.370 -1.783 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001220373060 780205981 /nfs/dbraw/zinc/20/59/81/780205981.db2.gz YBHPEAKXRJVLJG-UPJWGTAASA-N 1 1 312.370 -1.640 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377057 780206374 /nfs/dbraw/zinc/20/63/74/780206374.db2.gz ITSHOZPPXIKHLN-CABZTGNLSA-N 1 1 321.381 -1.356 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220372533 780206471 /nfs/dbraw/zinc/20/64/71/780206471.db2.gz ALTRKVYIPKCJGR-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220372533 780206477 /nfs/dbraw/zinc/20/64/77/780206477.db2.gz ALTRKVYIPKCJGR-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)NCc2ccc(N3CCOCC3)nn2)C1 ZINC001220390283 780208541 /nfs/dbraw/zinc/20/85/41/780208541.db2.gz WQYBFILQWHLWPC-PWSUYJOCSA-N 1 1 306.370 -1.381 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399347 780210168 /nfs/dbraw/zinc/21/01/68/780210168.db2.gz MVKGPFMEMPTBNX-UHTWSYAYSA-N 1 1 322.365 -1.647 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220401577 780210960 /nfs/dbraw/zinc/21/09/60/780210960.db2.gz GOPYOXZDRPBOMH-MJBXVCDLSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220401577 780210966 /nfs/dbraw/zinc/21/09/66/780210966.db2.gz GOPYOXZDRPBOMH-MJBXVCDLSA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220427800 780211679 /nfs/dbraw/zinc/21/16/79/780211679.db2.gz OQEWYVFEORICRM-AEJSXWLSSA-N 1 1 311.379 -1.555 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220427829 780211902 /nfs/dbraw/zinc/21/19/02/780211902.db2.gz PGJSERKRMYHXRL-IEBDPFPHSA-N 1 1 305.400 -1.505 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428156 780211932 /nfs/dbraw/zinc/21/19/32/780211932.db2.gz UOEVRQGVYGGNSH-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(NCc1ccc2[nH]nnc2c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220426497 780212012 /nfs/dbraw/zinc/21/20/12/780212012.db2.gz ICGYDGNYXTYMBV-GFCCVEGCSA-N 1 1 302.338 -1.096 20 0 DAADMO O=C(NCc1ccc2nn[nH]c2c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220426497 780212018 /nfs/dbraw/zinc/21/20/18/780212018.db2.gz ICGYDGNYXTYMBV-GFCCVEGCSA-N 1 1 302.338 -1.096 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220428378 780212307 /nfs/dbraw/zinc/21/23/07/780212307.db2.gz YLSPFDDSJMMNDW-JLLWLGSASA-N 1 1 319.427 -1.115 20 0 DAADMO Cn1c(=O)cc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)[nH]c1=O ZINC001220424887 780212354 /nfs/dbraw/zinc/21/23/54/780212354.db2.gz XUQFBWPPWNIWHO-VIFPVBQESA-N 1 1 310.358 -1.825 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220427167 780212409 /nfs/dbraw/zinc/21/24/09/780212409.db2.gz ADEWNJDDVWCDEB-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO Cn1c(=O)cc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)[nH]c1=O ZINC001220424886 780212646 /nfs/dbraw/zinc/21/26/46/780212646.db2.gz XUQFBWPPWNIWHO-SECBINFHSA-N 1 1 310.358 -1.825 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428003 780213069 /nfs/dbraw/zinc/21/30/69/780213069.db2.gz RQQVJSZYHFOPDS-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220429435 780213696 /nfs/dbraw/zinc/21/36/96/780213696.db2.gz RMGIQPLFBSFUTM-WDEREUQCSA-N 1 1 321.385 -1.971 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439179 780214265 /nfs/dbraw/zinc/21/42/65/780214265.db2.gz LVJHNJGGGNKJQA-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220428672 780214679 /nfs/dbraw/zinc/21/46/79/780214679.db2.gz CJBDBHJZEZAUIS-UWVGGRQHSA-N 1 1 303.384 -2.132 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220428379 780214911 /nfs/dbraw/zinc/21/49/11/780214911.db2.gz YLSPFDDSJMMNDW-WCQGTBRESA-N 1 1 319.427 -1.115 20 0 DAADMO O=C(Cc1cscn1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220494417 780217720 /nfs/dbraw/zinc/21/77/20/780217720.db2.gz BFSUYQBWOANHBU-NEPJUHHUSA-N 1 1 315.395 -1.144 20 0 DAADMO O=C(Cc1cscn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220494417 780217724 /nfs/dbraw/zinc/21/77/24/780217724.db2.gz BFSUYQBWOANHBU-NEPJUHHUSA-N 1 1 315.395 -1.144 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C(N)=O ZINC001220495518 780218500 /nfs/dbraw/zinc/21/85/00/780218500.db2.gz ZVYPYFIQODRXMR-AXFHLTTASA-N 1 1 316.358 -3.090 20 0 DAADMO NC(=O)NC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CCCCC1 ZINC001220480356 780218555 /nfs/dbraw/zinc/21/85/55/780218555.db2.gz VTORNCLFNHVMTB-MNOVXSKESA-N 1 1 314.386 -1.489 20 0 DAADMO NC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCCCC1 ZINC001220480356 780218560 /nfs/dbraw/zinc/21/85/60/780218560.db2.gz VTORNCLFNHVMTB-MNOVXSKESA-N 1 1 314.386 -1.489 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508641 780219227 /nfs/dbraw/zinc/21/92/27/780219227.db2.gz PVCIHVOMVBTFQB-TUAOUCFPSA-N 1 1 301.387 -1.213 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508561 780219753 /nfs/dbraw/zinc/21/97/53/780219753.db2.gz OFWKMYRWOOEBCL-AXFHLTTASA-N 1 1 303.359 -2.367 20 0 DAADMO COCCOCCOCCOCCNC(=O)CNCCC[NH3+] ZINC001220514347 780219849 /nfs/dbraw/zinc/21/98/49/780219849.db2.gz HGHZFHXAPJVWHI-UHFFFAOYSA-N 1 1 321.418 -1.263 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220508168 780220006 /nfs/dbraw/zinc/22/00/06/780220006.db2.gz DMRSFRHADWKQJD-NEPJUHHUSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220508636 780220032 /nfs/dbraw/zinc/22/00/32/780220032.db2.gz PPQUMJLEMJVSQY-MNOVXSKESA-N 1 1 303.359 -2.365 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519099 780221044 /nfs/dbraw/zinc/22/10/44/780221044.db2.gz AWUXXGUAWVUXAO-NSHDSACASA-N 1 1 322.431 -1.751 20 0 DAADMO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)CN)CC[NH2+]C1 ZINC001220523963 780223262 /nfs/dbraw/zinc/22/32/62/780223262.db2.gz VUZRFVROLONWSV-LBPRGKRZSA-N 1 1 324.381 -1.137 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542337 780224121 /nfs/dbraw/zinc/22/41/21/780224121.db2.gz AHCNJZZFIWNUNG-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220540814 780224565 /nfs/dbraw/zinc/22/45/65/780224565.db2.gz HDLKTGSGOCQONI-NEPJUHHUSA-N 1 1 321.381 -1.429 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001220540814 780224571 /nfs/dbraw/zinc/22/45/71/780224571.db2.gz HDLKTGSGOCQONI-NEPJUHHUSA-N 1 1 321.381 -1.429 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558153 780227338 /nfs/dbraw/zinc/22/73/38/780227338.db2.gz MTPXNFRRCILLBC-AXFHLTTASA-N 1 1 300.359 -2.062 20 0 DAADMO O=C(CNC(=O)CC1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220547940 780227423 /nfs/dbraw/zinc/22/74/23/780227423.db2.gz OMKFABYIDGMSPC-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](O)C1 ZINC001220568364 780228590 /nfs/dbraw/zinc/22/85/90/780228590.db2.gz JDIPTRKGNNIUCJ-YUTCNCBUSA-N 1 1 324.381 -1.124 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220576211 780230500 /nfs/dbraw/zinc/23/05/00/780230500.db2.gz VMYPSTQXZMZYNM-JTQLQIEISA-N 1 1 312.370 -1.734 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001220583205 780231135 /nfs/dbraw/zinc/23/11/35/780231135.db2.gz RZKWNNPDDQPETE-MNOVXSKESA-N 1 1 300.315 -1.493 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001220583205 780231137 /nfs/dbraw/zinc/23/11/37/780231137.db2.gz RZKWNNPDDQPETE-MNOVXSKESA-N 1 1 300.315 -1.493 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606080 780233700 /nfs/dbraw/zinc/23/37/00/780233700.db2.gz DYVRDFHZJGVAEI-MXWKQRLJSA-N 1 1 300.338 -1.027 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606080 780233708 /nfs/dbraw/zinc/23/37/08/780233708.db2.gz DYVRDFHZJGVAEI-MXWKQRLJSA-N 1 1 300.338 -1.027 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220606242 780235396 /nfs/dbraw/zinc/23/53/96/780235396.db2.gz LZGQPKKXLZODRS-UTUOFQBUSA-N 1 1 310.358 -1.739 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001220612180 780235907 /nfs/dbraw/zinc/23/59/07/780235907.db2.gz MZNGKHVYGSPWBT-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001220642518 780236802 /nfs/dbraw/zinc/23/68/02/780236802.db2.gz FTDUYJSUCVNCCS-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001220642518 780236806 /nfs/dbraw/zinc/23/68/06/780236806.db2.gz FTDUYJSUCVNCCS-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)CC1 ZINC001220637971 780236927 /nfs/dbraw/zinc/23/69/27/780236927.db2.gz QFNZNNKOTRWOSU-KGLIPLIRSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@H](O)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642486 780237487 /nfs/dbraw/zinc/23/74/87/780237487.db2.gz DCHJVDMAGASTGH-YUTCNCBUSA-N 1 1 315.414 -1.361 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220656481 780237544 /nfs/dbraw/zinc/23/75/44/780237544.db2.gz DEWYXBVVGOJYHV-AXFHLTTASA-N 1 1 323.415 -2.190 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001220688592 780239021 /nfs/dbraw/zinc/23/90/21/780239021.db2.gz LOSYFYUTUNJVKF-OLZOCXBDSA-N 1 1 310.402 -1.219 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220660943 780239604 /nfs/dbraw/zinc/23/96/04/780239604.db2.gz FVKLLLDRWPIVSK-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688461 780239702 /nfs/dbraw/zinc/23/97/02/780239702.db2.gz HLQRJNUCWQKTFI-WOPDTQHZSA-N 1 1 300.403 -1.247 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220710149 780240625 /nfs/dbraw/zinc/24/06/25/780240625.db2.gz IULOZUYKGVZXJQ-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220710149 780240630 /nfs/dbraw/zinc/24/06/30/780240630.db2.gz IULOZUYKGVZXJQ-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO O=C(CNC(=O)c1cscn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220702006 780241736 /nfs/dbraw/zinc/24/17/36/780241736.db2.gz VKCXPPTYBXFCHY-SCZZXKLOSA-N 1 1 314.367 -1.974 20 0 DAADMO O=C(CCOC1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220732502 780243600 /nfs/dbraw/zinc/24/36/00/780243600.db2.gz RVNGQLGBCFNNFJ-OLZOCXBDSA-N 1 1 302.371 -1.274 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001220726191 780243616 /nfs/dbraw/zinc/24/36/16/780243616.db2.gz MYQBDMHCRGQUBD-MNOVXSKESA-N 1 1 313.358 -1.829 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001220726191 780243622 /nfs/dbraw/zinc/24/36/22/780243622.db2.gz MYQBDMHCRGQUBD-MNOVXSKESA-N 1 1 313.358 -1.829 20 0 DAADMO C[C@H]1COCCN1CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220724124 780243852 /nfs/dbraw/zinc/24/38/52/780243852.db2.gz DZLHPXLXCUIQAR-JSGCOSHPSA-N 1 1 313.446 -1.426 20 0 DAADMO [NH3+]CCCNCC(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756864 780244912 /nfs/dbraw/zinc/24/49/12/780244912.db2.gz MCSDGWDENYNVFQ-UHFFFAOYSA-N 1 1 306.432 -1.839 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)c1 ZINC001220771264 780246935 /nfs/dbraw/zinc/24/69/35/780246935.db2.gz LCNHJYLQVOFKRO-LOWVWBTDSA-N 1 1 312.370 -1.315 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220783563 780247325 /nfs/dbraw/zinc/24/73/25/780247325.db2.gz RBXWAYQRPLQYSI-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771351 780247394 /nfs/dbraw/zinc/24/73/94/780247394.db2.gz PJNPTRVMCRYLCL-XQQFMLRXSA-N 1 1 313.398 -1.749 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C(C)C ZINC001220810755 780248570 /nfs/dbraw/zinc/24/85/70/780248570.db2.gz CMVIFDOIPGDWPT-FRRDWIJNSA-N 1 1 301.387 -1.309 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001220816878 780248842 /nfs/dbraw/zinc/24/88/42/780248842.db2.gz FMEGATHVVMFMQY-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001220817007 780249998 /nfs/dbraw/zinc/24/99/98/780249998.db2.gz KVSZALKVLIAXDM-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001220852829 780252192 /nfs/dbraw/zinc/25/21/92/780252192.db2.gz YYHSIECEFUSVIQ-RTXFEEFZSA-N 1 1 312.370 -1.571 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)CNC1 ZINC001220849209 780252497 /nfs/dbraw/zinc/25/24/97/780252497.db2.gz WFQWHHZODVYXGU-JTQLQIEISA-N 1 1 307.354 -1.376 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 ZINC001220848085 780252803 /nfs/dbraw/zinc/25/28/03/780252803.db2.gz HVTUTLMWFORRIP-WCQGTBRESA-N 1 1 323.353 -1.555 20 0 DAADMO CC(C)(C)[N@H+]1CCN[C@@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220874675 780254167 /nfs/dbraw/zinc/25/41/67/780254167.db2.gz LGVCCGWYJQURGU-GFCCVEGCSA-N 1 1 311.430 -1.393 20 0 DAADMO CCn1nnc2c1[C@@H](C(=O)NCCN1CC[NH2+]CC1=O)CNC2 ZINC001220872255 780254822 /nfs/dbraw/zinc/25/48/22/780254822.db2.gz QOKSXAVLBZDXRD-JTQLQIEISA-N 1 1 321.385 -1.967 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220875543 780254922 /nfs/dbraw/zinc/25/49/22/780254922.db2.gz OTBDIZVLJBROAN-WCQGTBRESA-N 1 1 312.370 -1.246 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879230 780256055 /nfs/dbraw/zinc/25/60/55/780256055.db2.gz MIZISDQGJZTKDO-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879230 780256060 /nfs/dbraw/zinc/25/60/60/780256060.db2.gz MIZISDQGJZTKDO-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220882036 780256915 /nfs/dbraw/zinc/25/69/15/780256915.db2.gz LWDKTAGQSIULKL-MNOVXSKESA-N 1 1 307.416 -1.305 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879096 780257232 /nfs/dbraw/zinc/25/72/32/780257232.db2.gz FHFGITRXRPEQRX-BBBLOLIVSA-N 1 1 309.388 -2.580 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879096 780257238 /nfs/dbraw/zinc/25/72/38/780257238.db2.gz FHFGITRXRPEQRX-BBBLOLIVSA-N 1 1 309.388 -2.580 20 0 DAADMO O=C(CNC(=O)Cc1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220918200 780258411 /nfs/dbraw/zinc/25/84/11/780258411.db2.gz SDPTWMQCKXNTGX-KGLIPLIRSA-N 1 1 321.377 -1.501 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC1 ZINC001220926566 780258569 /nfs/dbraw/zinc/25/85/69/780258569.db2.gz RLIQUQHFIHDAPD-QWRGUYRKSA-N 1 1 304.416 -1.537 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921865 780259122 /nfs/dbraw/zinc/25/91/22/780259122.db2.gz RTILUQBJBUJUDA-WOPDTQHZSA-N 1 1 324.385 -1.517 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921865 780259127 /nfs/dbraw/zinc/25/91/27/780259127.db2.gz RTILUQBJBUJUDA-WOPDTQHZSA-N 1 1 324.385 -1.517 20 0 DAADMO O=C(CCC(=O)N1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220913685 780259159 /nfs/dbraw/zinc/25/91/59/780259159.db2.gz JCJIULMMBDCLPD-NEPJUHHUSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220932321 780260076 /nfs/dbraw/zinc/26/00/76/780260076.db2.gz RKYRRWDAYBUITD-TUAOUCFPSA-N 1 1 324.381 -1.064 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220935733 780260142 /nfs/dbraw/zinc/26/01/42/780260142.db2.gz SYDLHKBUCMPXSY-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220935733 780260148 /nfs/dbraw/zinc/26/01/48/780260148.db2.gz SYDLHKBUCMPXSY-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220935642 780260194 /nfs/dbraw/zinc/26/01/94/780260194.db2.gz ORAONYOKABRNOM-MXWKQRLJSA-N 1 1 300.359 -1.757 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220927269 780260208 /nfs/dbraw/zinc/26/02/08/780260208.db2.gz XPSCJBOBGYQOIE-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220934137 780260338 /nfs/dbraw/zinc/26/03/38/780260338.db2.gz UKYOLKZPVRGWNF-TUAOUCFPSA-N 1 1 324.381 -1.064 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001220932353 780260386 /nfs/dbraw/zinc/26/03/86/780260386.db2.gz RZPUTRNCDUCXQC-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001220932353 780260394 /nfs/dbraw/zinc/26/03/94/780260394.db2.gz RZPUTRNCDUCXQC-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)cn1 ZINC001220935609 780260543 /nfs/dbraw/zinc/26/05/43/780260543.db2.gz NDJIMTRMCWLOBZ-NEPJUHHUSA-N 1 1 324.385 -1.818 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220935756 780261059 /nfs/dbraw/zinc/26/10/59/780261059.db2.gz UJHCPDMEJATCFH-ZJUUUORDSA-N 1 1 311.346 -2.502 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220935756 780261065 /nfs/dbraw/zinc/26/10/65/780261065.db2.gz UJHCPDMEJATCFH-ZJUUUORDSA-N 1 1 311.346 -2.502 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220933562 780261380 /nfs/dbraw/zinc/26/13/80/780261380.db2.gz DBJAASBZXZPYML-BBBLOLIVSA-N 1 1 314.342 -2.218 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220938174 780262002 /nfs/dbraw/zinc/26/20/02/780262002.db2.gz PNUKEZZHIBAXMO-UTUOFQBUSA-N 1 1 314.386 -1.367 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220940389 780262106 /nfs/dbraw/zinc/26/21/06/780262106.db2.gz WJUPUVFOHODOGG-AEJSXWLSSA-N 1 1 316.333 -1.505 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979071 780264044 /nfs/dbraw/zinc/26/40/44/780264044.db2.gz DBQMGWXVHOWKCW-UPJWGTAASA-N 1 1 312.370 -1.640 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220976181 780264344 /nfs/dbraw/zinc/26/43/44/780264344.db2.gz NCYUTHYLOGKGIK-BBBLOLIVSA-N 1 1 313.358 -2.706 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C1 ZINC001220959762 780265146 /nfs/dbraw/zinc/26/51/46/780265146.db2.gz WAEIVTMAHOZSDG-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976249 780265363 /nfs/dbraw/zinc/26/53/63/780265363.db2.gz QNTCOWRKKJTISK-XQQFMLRXSA-N 1 1 312.414 -1.374 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978018 780265380 /nfs/dbraw/zinc/26/53/80/780265380.db2.gz IWFFPFHNKVYUOI-UPJWGTAASA-N 1 1 301.387 -1.749 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220987914 780266292 /nfs/dbraw/zinc/26/62/92/780266292.db2.gz WABJUAQHWWXASJ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220987914 780266300 /nfs/dbraw/zinc/26/63/00/780266300.db2.gz WABJUAQHWWXASJ-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001220987124 780266856 /nfs/dbraw/zinc/26/68/56/780266856.db2.gz ICOITSHFTSJZDF-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979498 780267145 /nfs/dbraw/zinc/26/71/45/780267145.db2.gz NCLUNYAJTKSXHB-NEPJUHHUSA-N 1 1 309.370 -1.511 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220992798 780267264 /nfs/dbraw/zinc/26/72/64/780267264.db2.gz KJMXUYZTCVATJE-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221007172 780268171 /nfs/dbraw/zinc/26/81/71/780268171.db2.gz YQBYSNXNSLEKQK-CYDGBPFRSA-N 1 1 312.414 -1.328 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001221060382 780272189 /nfs/dbraw/zinc/27/21/89/780272189.db2.gz WTBUJULXEYNNTI-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCOCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221063647 780272382 /nfs/dbraw/zinc/27/23/82/780272382.db2.gz DDJXRTWXVNKNKT-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001221063778 780274002 /nfs/dbraw/zinc/27/40/02/780274002.db2.gz JFPNILMJCICPSX-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221064283 780274070 /nfs/dbraw/zinc/27/40/70/780274070.db2.gz ZASBJFXOFBMOAW-ZJUUUORDSA-N 1 1 312.330 -3.452 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091334 780275834 /nfs/dbraw/zinc/27/58/34/780275834.db2.gz KOFKTVQABIVYCT-UTUOFQBUSA-N 1 1 300.403 -1.248 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091318 780276113 /nfs/dbraw/zinc/27/61/13/780276113.db2.gz KFQGBURKHYZEQA-UTUOFQBUSA-N 1 1 300.403 -1.378 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001221119269 780277572 /nfs/dbraw/zinc/27/75/72/780277572.db2.gz VYOMWYWPAPRNHX-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001221119269 780277577 /nfs/dbraw/zinc/27/75/77/780277577.db2.gz VYOMWYWPAPRNHX-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221149615 780277701 /nfs/dbraw/zinc/27/77/01/780277701.db2.gz BWJZRAZNRLQEMU-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001221164376 780279159 /nfs/dbraw/zinc/27/91/59/780279159.db2.gz FWLUJTVCACKACL-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001221164376 780279161 /nfs/dbraw/zinc/27/91/61/780279161.db2.gz FWLUJTVCACKACL-OLZOCXBDSA-N 1 1 312.370 -1.293 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)N1CCCC1=O ZINC001221164891 780279240 /nfs/dbraw/zinc/27/92/40/780279240.db2.gz XPRLESDHBPBHMG-MBNYWOFBSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCC1=O ZINC001221164891 780279252 /nfs/dbraw/zinc/27/92/52/780279252.db2.gz XPRLESDHBPBHMG-MBNYWOFBSA-N 1 1 313.398 -1.213 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C2)cn1 ZINC001221171410 780279696 /nfs/dbraw/zinc/27/96/96/780279696.db2.gz SSZXKSGQTQLVFW-OLZOCXBDSA-N 1 1 323.397 -1.221 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221166661 780279909 /nfs/dbraw/zinc/27/99/09/780279909.db2.gz ZTSSEAHBIYESBM-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001221166661 780279915 /nfs/dbraw/zinc/27/99/15/780279915.db2.gz ZTSSEAHBIYESBM-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171346 780280371 /nfs/dbraw/zinc/28/03/71/780280371.db2.gz QETWLQSOAWDDJS-TUAOUCFPSA-N 1 1 301.387 -1.036 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)N1CCCC1=O ZINC001221164890 780280426 /nfs/dbraw/zinc/28/04/26/780280426.db2.gz XPRLESDHBPBHMG-DYEKYZERSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCC1=O ZINC001221164890 780280435 /nfs/dbraw/zinc/28/04/35/780280435.db2.gz XPRLESDHBPBHMG-DYEKYZERSA-N 1 1 313.398 -1.213 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](O)C1 ZINC001221184092 780282369 /nfs/dbraw/zinc/28/23/69/780282369.db2.gz QTYWACHWNYVLSX-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO O=C(COC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221184477 780282441 /nfs/dbraw/zinc/28/24/41/780282441.db2.gz WNDYISOHCYORNU-XQQFMLRXSA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221176258 780282572 /nfs/dbraw/zinc/28/25/72/780282572.db2.gz SCLAGKCQRPFLMQ-WOPDTQHZSA-N 1 1 315.370 -2.175 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221235593 780283546 /nfs/dbraw/zinc/28/35/46/780283546.db2.gz MVLACKZXKSTVEX-CHWSQXEVSA-N 1 1 323.397 -1.320 20 0 DAADMO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CO ZINC001221190426 780283619 /nfs/dbraw/zinc/28/36/19/780283619.db2.gz NCDIEQSOYKVKCJ-CIUDSAMLSA-N 1 1 304.347 -2.793 20 0 DAADMO CC(C)(C)N1CC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221194074 780284584 /nfs/dbraw/zinc/28/45/84/780284584.db2.gz LBPCZICREQIWEV-UHFFFAOYSA-N 1 1 306.432 -1.194 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221190168 780284606 /nfs/dbraw/zinc/28/46/06/780284606.db2.gz YRBGRZQALPSCGR-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259825 780285596 /nfs/dbraw/zinc/28/55/96/780285596.db2.gz WTRUBFGKHYYIDV-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259825 780285603 /nfs/dbraw/zinc/28/56/03/780285603.db2.gz WTRUBFGKHYYIDV-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221253756 780285771 /nfs/dbraw/zinc/28/57/71/780285771.db2.gz XPQQZHOASJPPMQ-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221253756 780285776 /nfs/dbraw/zinc/28/57/76/780285776.db2.gz XPQQZHOASJPPMQ-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259484 780285960 /nfs/dbraw/zinc/28/59/60/780285960.db2.gz HCVKXJTUHCPORI-GHMZBOCLSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259484 780285968 /nfs/dbraw/zinc/28/59/68/780285968.db2.gz HCVKXJTUHCPORI-GHMZBOCLSA-N 1 1 311.386 -1.288 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1)C1CC1 ZINC001221251247 780286156 /nfs/dbraw/zinc/28/61/56/780286156.db2.gz QBUCOBZSIQFAHU-ZYHUDNBSSA-N 1 1 323.397 -1.192 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1)C1CC1 ZINC001221251247 780286164 /nfs/dbraw/zinc/28/61/64/780286164.db2.gz QBUCOBZSIQFAHU-ZYHUDNBSSA-N 1 1 323.397 -1.192 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221253774 780286226 /nfs/dbraw/zinc/28/62/26/780286226.db2.gz YNYIJDFGDVMODA-CHWSQXEVSA-N 1 1 324.385 -1.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259877 780287715 /nfs/dbraw/zinc/28/77/15/780287715.db2.gz ZKKDSRVJRXUMQC-OUAUKWLOSA-N 1 1 300.359 -1.805 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H]2NCN[C@@H]21 ZINC001221265057 780288276 /nfs/dbraw/zinc/28/82/76/780288276.db2.gz FXWVTBJCWPQMFK-IGORNWKESA-N 1 1 322.335 -1.564 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264536 780288379 /nfs/dbraw/zinc/28/83/79/780288379.db2.gz PKCZXYFGNPSZMH-GMTAPVOTSA-N 1 1 309.370 -1.582 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264536 780288386 /nfs/dbraw/zinc/28/83/86/780288386.db2.gz PKCZXYFGNPSZMH-GMTAPVOTSA-N 1 1 309.370 -1.582 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259876 780289039 /nfs/dbraw/zinc/28/90/39/780289039.db2.gz ZKKDSRVJRXUMQC-GMTAPVOTSA-N 1 1 300.359 -1.805 20 0 DAADMO O=C([C@@H]1COCCO1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221285927 780290835 /nfs/dbraw/zinc/29/08/35/780290835.db2.gz DBIANCBUGFPNOD-MCIONIFRSA-N 1 1 314.382 -1.057 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221285928 780290770 /nfs/dbraw/zinc/29/07/70/780290770.db2.gz DBIANCBUGFPNOD-MGPQQGTHSA-N 1 1 314.382 -1.057 20 0 DAADMO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)c1 ZINC001221405084 780292398 /nfs/dbraw/zinc/29/23/98/780292398.db2.gz PWBYOHVCIFOQBL-TVYUQYBPSA-N 1 1 324.381 -1.365 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221451758 780293720 /nfs/dbraw/zinc/29/37/20/780293720.db2.gz XOFQXNAXAYGEOJ-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221451758 780293726 /nfs/dbraw/zinc/29/37/26/780293726.db2.gz XOFQXNAXAYGEOJ-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221550244 780296027 /nfs/dbraw/zinc/29/60/27/780296027.db2.gz JJEBWPOZTVRKEN-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221550244 780296033 /nfs/dbraw/zinc/29/60/33/780296033.db2.gz JJEBWPOZTVRKEN-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221566102 780296102 /nfs/dbraw/zinc/29/61/02/780296102.db2.gz SWZQXIFCSLPYEG-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221554038 780296973 /nfs/dbraw/zinc/29/69/73/780296973.db2.gz BRFKJSWYNRWWEY-VXGBXAGGSA-N 1 1 310.358 -1.785 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001221576744 780297019 /nfs/dbraw/zinc/29/70/19/780297019.db2.gz NCBXRLOFAYKJKF-FRRDWIJNSA-N 1 1 309.370 -1.182 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001221522976 780297067 /nfs/dbraw/zinc/29/70/67/780297067.db2.gz QIQFNBZDNGQWFM-GRYCIOLGSA-N 1 1 309.370 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221714163 780298812 /nfs/dbraw/zinc/29/88/12/780298812.db2.gz PYMKYMTVPIGFCX-GHMZBOCLSA-N 1 1 320.415 -2.045 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221594951 780298889 /nfs/dbraw/zinc/29/88/89/780298889.db2.gz KWGPICGESLKWGV-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221594951 780298896 /nfs/dbraw/zinc/29/88/96/780298896.db2.gz KWGPICGESLKWGV-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001221591140 780299528 /nfs/dbraw/zinc/29/95/28/780299528.db2.gz RZNFDFRKPLXNBF-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001221598285 780299591 /nfs/dbraw/zinc/29/95/91/780299591.db2.gz IOLXUBSPTFFXBJ-HBNTYKKESA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001221598285 780299596 /nfs/dbraw/zinc/29/95/96/780299596.db2.gz IOLXUBSPTFFXBJ-HBNTYKKESA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221596976 780299785 /nfs/dbraw/zinc/29/97/85/780299785.db2.gz DIOJJWKDLHQSHM-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001221596976 780299790 /nfs/dbraw/zinc/29/97/90/780299790.db2.gz DIOJJWKDLHQSHM-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001221779672 780300352 /nfs/dbraw/zinc/30/03/52/780300352.db2.gz HQQHWGPTEMVNLE-VXGBXAGGSA-N 1 1 311.382 -1.207 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221731613 780300416 /nfs/dbraw/zinc/30/04/16/780300416.db2.gz LOJGCSUGHXFGCD-FRRDWIJNSA-N 1 1 311.382 -1.336 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001221779893 780300699 /nfs/dbraw/zinc/30/06/99/780300699.db2.gz ROODIAIFKMVPAX-GRYCIOLGSA-N 1 1 311.382 -1.208 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781442 780300741 /nfs/dbraw/zinc/30/07/41/780300741.db2.gz XQXZNBGIUFWJQF-GHMZBOCLSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781442 780300750 /nfs/dbraw/zinc/30/07/50/780300750.db2.gz XQXZNBGIUFWJQF-GHMZBOCLSA-N 1 1 311.386 -1.288 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221775240 780300960 /nfs/dbraw/zinc/30/09/60/780300960.db2.gz OEDUMVSJHBIODB-GRYCIOLGSA-N 1 1 312.370 -1.791 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001221770389 780301971 /nfs/dbraw/zinc/30/19/71/780301971.db2.gz LTQOQRLMBANKNX-NTZNESFSSA-N 1 1 322.365 -1.077 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001221839986 780303343 /nfs/dbraw/zinc/30/33/43/780303343.db2.gz UQXFVLVKNDNHMC-GHMZBOCLSA-N 1 1 304.416 -1.065 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)C(N)=O ZINC001221851938 780303743 /nfs/dbraw/zinc/30/37/43/780303743.db2.gz KHXQWUAAWLIWMG-GRYCIOLGSA-N 1 1 312.370 -2.109 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221814765 780303835 /nfs/dbraw/zinc/30/38/35/780303835.db2.gz AUMVQLIVNMPFMW-FVCCEPFGSA-N 1 1 311.382 -1.351 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001221933610 780305783 /nfs/dbraw/zinc/30/57/83/780305783.db2.gz HYEWGGKPQAXBQM-IJLUTSLNSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001221933610 780305786 /nfs/dbraw/zinc/30/57/86/780305786.db2.gz HYEWGGKPQAXBQM-IJLUTSLNSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001221933610 780305794 /nfs/dbraw/zinc/30/57/94/780305794.db2.gz HYEWGGKPQAXBQM-IJLUTSLNSA-N 1 1 309.370 -1.113 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005680 780307184 /nfs/dbraw/zinc/30/71/84/780307184.db2.gz KJGJHUHPZUYBDV-GMTAPVOTSA-N 1 1 311.386 -1.159 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005680 780307189 /nfs/dbraw/zinc/30/71/89/780307189.db2.gz KJGJHUHPZUYBDV-GMTAPVOTSA-N 1 1 311.386 -1.159 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001222005524 780307687 /nfs/dbraw/zinc/30/76/87/780307687.db2.gz BHKXPSKFOOLQPF-VXGBXAGGSA-N 1 1 321.385 -1.131 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001222003645 780307787 /nfs/dbraw/zinc/30/77/87/780307787.db2.gz BGUBJLXGFNFLGL-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001222003645 780307793 /nfs/dbraw/zinc/30/77/93/780307793.db2.gz BGUBJLXGFNFLGL-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222004202 780308096 /nfs/dbraw/zinc/30/80/96/780308096.db2.gz YZVYAVZYDYBPBV-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222004202 780308098 /nfs/dbraw/zinc/30/80/98/780308098.db2.gz YZVYAVZYDYBPBV-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001222005738 780308132 /nfs/dbraw/zinc/30/81/32/780308132.db2.gz NEVDBOSTQHWOKL-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001222005738 780308136 /nfs/dbraw/zinc/30/81/36/780308136.db2.gz NEVDBOSTQHWOKL-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001222003914 780308361 /nfs/dbraw/zinc/30/83/61/780308361.db2.gz OPBVQCDNOAPRGS-ZYHUDNBSSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001222003914 780308372 /nfs/dbraw/zinc/30/83/72/780308372.db2.gz OPBVQCDNOAPRGS-ZYHUDNBSSA-N 1 1 323.397 -1.144 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222251927 780308955 /nfs/dbraw/zinc/30/89/55/780308955.db2.gz QWCACCKWFFDINF-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)NCC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001222274445 780309073 /nfs/dbraw/zinc/30/90/73/780309073.db2.gz IOSMYSZEHKYRNT-UHFFFAOYSA-N 1 1 324.385 -1.427 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)Cn3cnnn3)CC2)nn1 ZINC001222358156 780311330 /nfs/dbraw/zinc/31/13/30/780311330.db2.gz KSRCKIAFZZHNIY-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001222693841 780312324 /nfs/dbraw/zinc/31/23/24/780312324.db2.gz CYYXLCOGFXICKM-UPJWGTAASA-N 1 1 324.385 -1.397 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 ZINC001222817367 780312450 /nfs/dbraw/zinc/31/24/50/780312450.db2.gz LWPFOZGRXBEVKA-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001276839467 780312585 /nfs/dbraw/zinc/31/25/85/780312585.db2.gz JECUCGOSGBSPFR-GARJFASQSA-N 1 1 308.382 -1.046 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001276854533 780313645 /nfs/dbraw/zinc/31/36/45/780313645.db2.gz YWQFQPUUKDTAKH-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001276854533 780313650 /nfs/dbraw/zinc/31/36/50/780313650.db2.gz YWQFQPUUKDTAKH-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001276867695 780314037 /nfs/dbraw/zinc/31/40/37/780314037.db2.gz SPSQXYGQOAOKDS-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001276867700 780314401 /nfs/dbraw/zinc/31/44/01/780314401.db2.gz SPSQXYGQOAOKDS-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001276874166 780314744 /nfs/dbraw/zinc/31/47/44/780314744.db2.gz BDZOESBKKYJPPJ-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001276874166 780314753 /nfs/dbraw/zinc/31/47/53/780314753.db2.gz BDZOESBKKYJPPJ-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223393270 780315695 /nfs/dbraw/zinc/31/56/95/780315695.db2.gz KGMLNPGGOFJRLH-NEPJUHHUSA-N 1 1 319.427 -1.030 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001276875141 780316046 /nfs/dbraw/zinc/31/60/46/780316046.db2.gz JZHATBGNTMMQDK-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001276875141 780316049 /nfs/dbraw/zinc/31/60/49/780316049.db2.gz JZHATBGNTMMQDK-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001223278227 780316794 /nfs/dbraw/zinc/31/67/94/780316794.db2.gz SKQJFGUUGSMWDZ-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001223278227 780316800 /nfs/dbraw/zinc/31/68/00/780316800.db2.gz SKQJFGUUGSMWDZ-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+]2CCN2C(=O)CCC2=O)CC1 ZINC001276916722 780317993 /nfs/dbraw/zinc/31/79/93/780317993.db2.gz VFBUWJGJPXFQNB-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]2CCN2C(=O)CCC2=O)CC1 ZINC001276916722 780318001 /nfs/dbraw/zinc/31/80/01/780318001.db2.gz VFBUWJGJPXFQNB-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]1CCOCCO ZINC001276899635 780318207 /nfs/dbraw/zinc/31/82/07/780318207.db2.gz OQYXOCZKAXQWIQ-GFCCVEGCSA-N 1 1 314.386 -2.382 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001276899635 780318215 /nfs/dbraw/zinc/31/82/15/780318215.db2.gz OQYXOCZKAXQWIQ-GFCCVEGCSA-N 1 1 314.386 -2.382 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001223678985 780318524 /nfs/dbraw/zinc/31/85/24/780318524.db2.gz VPUJBCHCBNGGTP-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001223678985 780318529 /nfs/dbraw/zinc/31/85/29/780318529.db2.gz VPUJBCHCBNGGTP-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H](C)O)[C@H]2C1 ZINC001224162941 780319518 /nfs/dbraw/zinc/31/95/18/780319518.db2.gz WQTICTPLEZCTRH-UTUOFQBUSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O)c1nnnn1C ZINC001224732170 780322955 /nfs/dbraw/zinc/32/29/55/780322955.db2.gz GDDWLNKQEQAMLM-OPRDCNLKSA-N 1 1 324.389 -1.044 20 0 DAADMO C[NH+](C)CCOCC(=O)NCC1CCN(CC(N)=O)CC1 ZINC001225154564 780325491 /nfs/dbraw/zinc/32/54/91/780325491.db2.gz BIYHUIRSKFCSHD-UHFFFAOYSA-N 1 1 300.403 -1.122 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001277021698 780325573 /nfs/dbraw/zinc/32/55/73/780325573.db2.gz DDQMTJGTCWLYTM-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CC[N@H+]2CCN1CCOCC1 ZINC001277021698 780325577 /nfs/dbraw/zinc/32/55/77/780325577.db2.gz DDQMTJGTCWLYTM-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC001225832009 780327327 /nfs/dbraw/zinc/32/73/27/780327327.db2.gz YQIROLPZRQXOFV-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225993077 780329237 /nfs/dbraw/zinc/32/92/37/780329237.db2.gz IGRQQFMWTOVJFH-UHFFFAOYSA-N 1 1 300.319 -2.570 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)C2=COCCO2)CC1 ZINC001225889980 780329316 /nfs/dbraw/zinc/32/93/16/780329316.db2.gz JDROQWCCMTYCON-UHFFFAOYSA-N 1 1 312.326 -1.350 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226002495 780330862 /nfs/dbraw/zinc/33/08/62/780330862.db2.gz OVZONMRWMLDNFJ-ZETCQYMHSA-N 1 1 314.346 -2.181 20 0 DAADMO CCC(=O)NCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226608309 780333883 /nfs/dbraw/zinc/33/38/83/780333883.db2.gz CXUJCBRKJQLOCG-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2nccnc2N)CC1 ZINC001226625223 780334502 /nfs/dbraw/zinc/33/45/02/780334502.db2.gz JQOWEDQOMRDMHZ-UHFFFAOYSA-N 1 1 321.341 -1.552 20 0 DAADMO CNC(=O)CC(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001227024677 780337303 /nfs/dbraw/zinc/33/73/03/780337303.db2.gz VJBJLPZNPRPRDH-UHFFFAOYSA-N 1 1 310.358 -1.675 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001277165169 780337528 /nfs/dbraw/zinc/33/75/28/780337528.db2.gz VKXFLQIFUSPNAH-QMMMGPOBSA-N 1 1 313.358 -2.697 20 0 DAADMO CNC(=O)CC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001227049597 780338498 /nfs/dbraw/zinc/33/84/98/780338498.db2.gz GEVKCVVMGXYDGP-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC001227152537 780338837 /nfs/dbraw/zinc/33/88/37/780338837.db2.gz XQHZUVWIKCSMIX-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO Cn1nncc1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227123318 780338956 /nfs/dbraw/zinc/33/89/56/780338956.db2.gz BQCUMJZTCKINBC-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227173552 780339291 /nfs/dbraw/zinc/33/92/91/780339291.db2.gz AKRRXIMWGUUDGN-LLVKDONJSA-N 1 1 300.359 -1.221 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227399010 780340507 /nfs/dbraw/zinc/34/05/07/780340507.db2.gz HWZPFUQINFLOAM-QMMMGPOBSA-N 1 1 324.345 -2.163 20 0 DAADMO Cc1nnc(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)[nH]1 ZINC001227244343 780340990 /nfs/dbraw/zinc/34/09/90/780340990.db2.gz LCOKLBCUOCTFLQ-UHFFFAOYSA-N 1 1 323.357 -1.569 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227482061 780341192 /nfs/dbraw/zinc/34/11/92/780341192.db2.gz YYJCSUUCYDKPAL-SECBINFHSA-N 1 1 320.415 -1.620 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001227453495 780341265 /nfs/dbraw/zinc/34/12/65/780341265.db2.gz DYDVEXYOGSDNNC-XPTSAGLGSA-N 1 1 310.354 -1.202 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 ZINC001227259922 780341497 /nfs/dbraw/zinc/34/14/97/780341497.db2.gz HPSFCSQENKHUMJ-HTQZYQBOSA-N 1 1 309.330 -1.370 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)COC)CC1 ZINC001227487757 780341658 /nfs/dbraw/zinc/34/16/58/780341658.db2.gz NNJXTTINRYBJJB-JTQLQIEISA-N 1 1 314.386 -1.536 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227323455 780341776 /nfs/dbraw/zinc/34/17/76/780341776.db2.gz UIJBUBBRTLLCIJ-SECBINFHSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227496089 780342760 /nfs/dbraw/zinc/34/27/60/780342760.db2.gz COPMDVDKFIOLTK-VIFPVBQESA-N 1 1 300.359 -1.797 20 0 DAADMO O=C(NC1CC[NH+](CCOCCO)CC1)C1CS(=O)(=O)C1 ZINC001227505959 780342793 /nfs/dbraw/zinc/34/27/93/780342793.db2.gz VBHYAXHMXVZSAG-UHFFFAOYSA-N 1 1 320.411 -1.380 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227488808 780342822 /nfs/dbraw/zinc/34/28/22/780342822.db2.gz ZBIGRKJYFFZBNF-ZJUUUORDSA-N 1 1 314.386 -1.408 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227488806 780342839 /nfs/dbraw/zinc/34/28/39/780342839.db2.gz ZBIGRKJYFFZBNF-UWVGGRQHSA-N 1 1 314.386 -1.408 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCNC(=O)COC)CC1 ZINC001227637687 780342894 /nfs/dbraw/zinc/34/28/94/780342894.db2.gz OREIDRMNJJYHIU-UHFFFAOYSA-N 1 1 314.386 -1.534 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001227505351 780342949 /nfs/dbraw/zinc/34/29/49/780342949.db2.gz RRKVVPZNWBWJGW-LBPRGKRZSA-N 1 1 320.411 -1.381 20 0 DAADMO COCC(=O)N(C)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227653648 780343109 /nfs/dbraw/zinc/34/31/09/780343109.db2.gz NPESBYSQEVNDCF-SNVBAGLBSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(F)F)CC1 ZINC001228113269 780346370 /nfs/dbraw/zinc/34/63/70/780346370.db2.gz KBSKPYAURAAQJK-UHFFFAOYSA-N 1 1 306.313 -1.306 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001228457779 780348816 /nfs/dbraw/zinc/34/88/16/780348816.db2.gz YXLHMPYMTVYMFP-QMMMGPOBSA-N 1 1 321.403 -2.505 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001228588096 780348851 /nfs/dbraw/zinc/34/88/51/780348851.db2.gz ABWDVCWMTMFZMO-VIFPVBQESA-N 1 1 311.342 -2.102 20 0 DAADMO Cn1nnnc1NC(=O)[C@@]12C[C@@H]1C[N@@H+](C[C@H]1CCC(=O)N1)C2 ZINC001277302637 780349119 /nfs/dbraw/zinc/34/91/19/780349119.db2.gz AHUHDCRFNCDEQQ-JRKPZEMJSA-N 1 1 305.342 -1.251 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001228560477 780349305 /nfs/dbraw/zinc/34/93/05/780349305.db2.gz WGACMMXGLVSPEL-MRVPVSSYSA-N 1 1 323.357 -1.109 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001228457777 780349560 /nfs/dbraw/zinc/34/95/60/780349560.db2.gz YXLHMPYMTVYMFP-MRVPVSSYSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228605812 780349802 /nfs/dbraw/zinc/34/98/02/780349802.db2.gz BLBJAKYJVPRYFP-QMMMGPOBSA-N 1 1 313.358 -1.727 20 0 DAADMO O=C(NCC1COC1)C1=NO[C@@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]12 ZINC001277303829 780349831 /nfs/dbraw/zinc/34/98/31/780349831.db2.gz OPRNRUCNYHLNHQ-GRYCIOLGSA-N 1 1 322.365 -1.286 20 0 DAADMO O=C(NCC1COC1)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]12 ZINC001277303829 780349838 /nfs/dbraw/zinc/34/98/38/780349838.db2.gz OPRNRUCNYHLNHQ-GRYCIOLGSA-N 1 1 322.365 -1.286 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001228718155 780350952 /nfs/dbraw/zinc/35/09/52/780350952.db2.gz OCVCCILOJRGSJG-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001228670973 780351294 /nfs/dbraw/zinc/35/12/94/780351294.db2.gz WVBQGMODWADPQW-UHFFFAOYSA-N 1 1 310.318 -2.401 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+](CC(=O)NCC3CC3)CC2)n1 ZINC001228670713 780351321 /nfs/dbraw/zinc/35/13/21/780351321.db2.gz UIOSOEOBGFGERX-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228670829 780351567 /nfs/dbraw/zinc/35/15/67/780351567.db2.gz WAFHSHVMVBVQIG-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCCS(N)(=O)=O)CC1 ZINC001228934881 780352301 /nfs/dbraw/zinc/35/23/01/780352301.db2.gz GXMDYCACIXQOKY-VIFPVBQESA-N 1 1 320.415 -1.491 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC001228904601 780352689 /nfs/dbraw/zinc/35/26/89/780352689.db2.gz PCUZDZZGUUOHIP-UHFFFAOYSA-N 1 1 319.365 -1.236 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001228895233 780352771 /nfs/dbraw/zinc/35/27/71/780352771.db2.gz IJBCYKOIYKHYAU-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC001228904370 780352886 /nfs/dbraw/zinc/35/28/86/780352886.db2.gz BEQQUGNLJZVTRH-UHFFFAOYSA-N 1 1 311.342 -1.960 20 0 DAADMO COCCCNC(=O)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904379 780352976 /nfs/dbraw/zinc/35/29/76/780352976.db2.gz BULHFBYKPXGHNI-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001228895965 780353202 /nfs/dbraw/zinc/35/32/02/780353202.db2.gz SHAIJXRSNJCPKX-NSHDSACASA-N 1 1 311.386 -1.227 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001228896400 780353724 /nfs/dbraw/zinc/35/37/24/780353724.db2.gz YMEUEFADYAJRSH-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCOCCNC(=O)C[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904729 780353737 /nfs/dbraw/zinc/35/37/37/780353737.db2.gz VGLDMRRKSMEAMF-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO COC[C@@H](OC)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229114228 780354835 /nfs/dbraw/zinc/35/48/35/780354835.db2.gz IUGFANWZNOCHEN-SNVBAGLBSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001229355806 780355883 /nfs/dbraw/zinc/35/58/83/780355883.db2.gz LHMUSCYYMJLDDC-RKDXNWHRSA-N 1 1 320.415 -1.622 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](CC(N)=O)CC1)C(N)=O ZINC001229493571 780356389 /nfs/dbraw/zinc/35/63/89/780356389.db2.gz IVWSHBGTJAGYCF-JTQLQIEISA-N 1 1 313.358 -2.568 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001229355649 780356849 /nfs/dbraw/zinc/35/68/49/780356849.db2.gz HPFNDUZFSDLSMK-UHFFFAOYSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229355803 780356875 /nfs/dbraw/zinc/35/68/75/780356875.db2.gz LHMUSCYYMJLDDC-DTWKUNHWSA-N 1 1 320.415 -1.622 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001229723335 780358356 /nfs/dbraw/zinc/35/83/56/780358356.db2.gz NUYVNZCVLBIBTP-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001229740298 780359209 /nfs/dbraw/zinc/35/92/09/780359209.db2.gz IEBQKFWMHZSNLN-UHFFFAOYSA-N 1 1 324.345 -2.161 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)COCc2ncnn2C)CC1 ZINC001229858573 780361055 /nfs/dbraw/zinc/36/10/55/780361055.db2.gz LEGQCFBFNZYYNV-UHFFFAOYSA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001230262597 780361874 /nfs/dbraw/zinc/36/18/74/780361874.db2.gz IQTWPURRGUJIEF-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001230284907 780362637 /nfs/dbraw/zinc/36/26/37/780362637.db2.gz CVRMNTVXUYDUJD-MRVPVSSYSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230190252 780362885 /nfs/dbraw/zinc/36/28/85/780362885.db2.gz ROABWQFWLMJFPI-SECBINFHSA-N 1 1 323.357 -1.558 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230194263 780363274 /nfs/dbraw/zinc/36/32/74/780363274.db2.gz XMQKVFZUVIAGLJ-UHFFFAOYSA-N 1 1 323.357 -1.686 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)NC1CC[NH+](CCF)CC1 ZINC001230349280 780364014 /nfs/dbraw/zinc/36/40/14/780364014.db2.gz QYLWQODUCWHQGE-UHFFFAOYSA-N 1 1 312.349 -1.056 20 0 DAADMO NC(=O)CCCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230450478 780366551 /nfs/dbraw/zinc/36/65/51/780366551.db2.gz KDRYNIHXKBOZFM-UHFFFAOYSA-N 1 1 313.358 -1.583 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2ccnc2)CC1 ZINC001230438280 780367027 /nfs/dbraw/zinc/36/70/27/780367027.db2.gz GLMMLMVRTKRNBN-UHFFFAOYSA-N 1 1 308.342 -1.341 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)CNC(N)=O ZINC001230697723 780369383 /nfs/dbraw/zinc/36/93/83/780369383.db2.gz LJUAUEHDJFMDGX-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)CNC(N)=O ZINC001230697723 780369394 /nfs/dbraw/zinc/36/93/94/780369394.db2.gz LJUAUEHDJFMDGX-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001230646459 780369412 /nfs/dbraw/zinc/36/94/12/780369412.db2.gz ORYVFWJPUDRYMH-GFCCVEGCSA-N 1 1 324.381 -1.196 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001230646459 780369421 /nfs/dbraw/zinc/36/94/21/780369421.db2.gz ORYVFWJPUDRYMH-GFCCVEGCSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)CNC(N)=O ZINC001230730563 780369478 /nfs/dbraw/zinc/36/94/78/780369478.db2.gz HPWLDDNGISBJKN-JTQLQIEISA-N 1 1 312.374 -1.787 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)CNC(N)=O ZINC001230730563 780369487 /nfs/dbraw/zinc/36/94/87/780369487.db2.gz HPWLDDNGISBJKN-JTQLQIEISA-N 1 1 312.374 -1.787 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750259 780372979 /nfs/dbraw/zinc/37/29/79/780372979.db2.gz ULAWDDDSMKZLTP-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750259 780372988 /nfs/dbraw/zinc/37/29/88/780372988.db2.gz ULAWDDDSMKZLTP-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnnn1 ZINC001230750254 780374069 /nfs/dbraw/zinc/37/40/69/780374069.db2.gz UGXCSCNAYQKIJW-GFCCVEGCSA-N 1 1 312.374 -1.131 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)c1ccc(=O)[nH]n1 ZINC001277469992 780375485 /nfs/dbraw/zinc/37/54/85/780375485.db2.gz WWAPWLXDISSHSQ-VIFPVBQESA-N 1 1 311.342 -1.266 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1COCCO1 ZINC001230822611 780376528 /nfs/dbraw/zinc/37/65/28/780376528.db2.gz ALIZUWWZOVIHAA-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COCCO1 ZINC001230822611 780376534 /nfs/dbraw/zinc/37/65/34/780376534.db2.gz ALIZUWWZOVIHAA-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1COCCO1 ZINC001230822636 780376556 /nfs/dbraw/zinc/37/65/56/780376556.db2.gz ALIZUWWZOVIHAA-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COCCO1 ZINC001230822636 780376567 /nfs/dbraw/zinc/37/65/67/780376567.db2.gz ALIZUWWZOVIHAA-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001277475686 780377135 /nfs/dbraw/zinc/37/71/35/780377135.db2.gz AKKXMKWZOKWTRF-WDEREUQCSA-N 1 1 303.359 -1.660 20 0 DAADMO C[C@]1(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCNC1=O ZINC001230964398 780377214 /nfs/dbraw/zinc/37/72/14/780377214.db2.gz ALBGKRVTTYLAFQ-HZMBPMFUSA-N 1 1 311.386 -1.096 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)OC ZINC001230917592 780377507 /nfs/dbraw/zinc/37/75/07/780377507.db2.gz WUPGGKBVAHLALB-MNOVXSKESA-N 1 1 303.359 -1.118 20 0 DAADMO COCC(=O)NCCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001230960611 780377917 /nfs/dbraw/zinc/37/79/17/780377917.db2.gz PJKKSVFCKVYCNG-NSHDSACASA-N 1 1 316.402 -1.336 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001230960611 780377929 /nfs/dbraw/zinc/37/79/29/780377929.db2.gz PJKKSVFCKVYCNG-NSHDSACASA-N 1 1 316.402 -1.336 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001277476102 780378108 /nfs/dbraw/zinc/37/81/08/780378108.db2.gz MNKDMALAXXRWNH-RYUDHWBXSA-N 1 1 317.386 -1.399 20 0 DAADMO COCC(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001230943443 780378193 /nfs/dbraw/zinc/37/81/93/780378193.db2.gz APRPKVPOSBFTTP-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001230943443 780378200 /nfs/dbraw/zinc/37/82/00/780378200.db2.gz APRPKVPOSBFTTP-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001231278595 780378976 /nfs/dbraw/zinc/37/89/76/780378976.db2.gz LVBXEXGZCKBGCF-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231258480 780379529 /nfs/dbraw/zinc/37/95/29/780379529.db2.gz IBHYIXNWSUOYBS-UHFFFAOYSA-N 1 1 316.402 -1.287 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001231368809 780380375 /nfs/dbraw/zinc/38/03/75/780380375.db2.gz OMPUDKGSNXUSMN-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC001231285424 780380485 /nfs/dbraw/zinc/38/04/85/780380485.db2.gz BZDCWZVRWDJTOV-CYBMUJFWSA-N 1 1 311.386 -1.182 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCOCC1)C2 ZINC001277503784 780380523 /nfs/dbraw/zinc/38/05/23/780380523.db2.gz CLEUJHSNXFNDHD-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001277503784 780380533 /nfs/dbraw/zinc/38/05/33/780380533.db2.gz CLEUJHSNXFNDHD-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC001231285425 780380602 /nfs/dbraw/zinc/38/06/02/780380602.db2.gz BZDCWZVRWDJTOV-ZDUSSCGKSA-N 1 1 311.386 -1.182 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001231285509 780381173 /nfs/dbraw/zinc/38/11/73/780381173.db2.gz HDZBMVDZCLTISA-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001231401075 780381315 /nfs/dbraw/zinc/38/13/15/780381315.db2.gz ASDUDOBEYNVZIO-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C(=O)CC(N)=O ZINC001231401075 780381326 /nfs/dbraw/zinc/38/13/26/780381326.db2.gz ASDUDOBEYNVZIO-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C(=O)CC(N)=O ZINC001231360329 780381356 /nfs/dbraw/zinc/38/13/56/780381356.db2.gz VWVYNKXAJGRMBY-NWDGAFQWSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C(=O)CC(N)=O ZINC001231360327 780381519 /nfs/dbraw/zinc/38/15/19/780381519.db2.gz VWVYNKXAJGRMBY-NEPJUHHUSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001231368817 780381681 /nfs/dbraw/zinc/38/16/81/780381681.db2.gz OMPUDKGSNXUSMN-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001231699879 780383162 /nfs/dbraw/zinc/38/31/62/780383162.db2.gz ANAUNGAPNCBLHB-MNOVXSKESA-N 1 1 323.353 -1.481 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]21 ZINC001231699879 780383171 /nfs/dbraw/zinc/38/31/71/780383171.db2.gz ANAUNGAPNCBLHB-MNOVXSKESA-N 1 1 323.353 -1.481 20 0 DAADMO Cn1cc(CN2CCN(CC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC001231766761 780383686 /nfs/dbraw/zinc/38/36/86/780383686.db2.gz GINYRKJSXKPVHE-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231770182 780384206 /nfs/dbraw/zinc/38/42/06/780384206.db2.gz QMDLRXSDBPHTEV-NHYWBVRUSA-N 1 1 323.349 -1.295 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@H]21 ZINC001277525823 780384443 /nfs/dbraw/zinc/38/44/43/780384443.db2.gz WZHSQECHFGDDED-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H]21 ZINC001277525823 780384451 /nfs/dbraw/zinc/38/44/51/780384451.db2.gz WZHSQECHFGDDED-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771344 780385885 /nfs/dbraw/zinc/38/58/85/780385885.db2.gz NFTBQJFXWBOGDY-NSHDSACASA-N 1 1 310.354 -1.627 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cn(C)c(=O)n(C)c1=O ZINC001231771344 780385893 /nfs/dbraw/zinc/38/58/93/780385893.db2.gz NFTBQJFXWBOGDY-NSHDSACASA-N 1 1 310.354 -1.627 20 0 DAADMO O=C(NCCOCCC[NH2+][C@H]1CCCNC1=O)c1cnn[nH]1 ZINC001277603878 780387517 /nfs/dbraw/zinc/38/75/17/780387517.db2.gz LBLCXALHPJCDIT-JTQLQIEISA-N 1 1 310.358 -1.191 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)CCNS(C)(=O)=O ZINC001233579728 780390901 /nfs/dbraw/zinc/39/09/01/780390901.db2.gz JALWIRSZWLQJDZ-JTQLQIEISA-N 1 1 322.431 -1.502 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001233590308 780391586 /nfs/dbraw/zinc/39/15/86/780391586.db2.gz VRSGKZBMEPNMBH-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233706460 780392223 /nfs/dbraw/zinc/39/22/23/780392223.db2.gz XHLHRVJGTGWTQC-UHFFFAOYSA-N 1 1 301.391 -1.039 20 0 DAADMO C[N@H+](CCCNC(=O)CNC(N)=O)CC(=O)Nc1ccon1 ZINC001233723112 780392471 /nfs/dbraw/zinc/39/24/71/780392471.db2.gz WEUCXESUUOMKBK-UHFFFAOYSA-N 1 1 312.330 -1.281 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CC(=O)Nc1ccon1 ZINC001233723112 780392479 /nfs/dbraw/zinc/39/24/79/780392479.db2.gz WEUCXESUUOMKBK-UHFFFAOYSA-N 1 1 312.330 -1.281 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCCNC(=O)CNC(N)=O)cc1=O ZINC001233723462 780392622 /nfs/dbraw/zinc/39/26/22/780392622.db2.gz ZMDDWEOUQOJETH-UHFFFAOYSA-N 1 1 309.370 -1.008 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COCCN1C ZINC001233705517 780393102 /nfs/dbraw/zinc/39/31/02/780393102.db2.gz CXRPGPCVIYKNBO-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233751493 780394069 /nfs/dbraw/zinc/39/40/69/780394069.db2.gz UEIRBCHFKMCWDR-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233784346 780394398 /nfs/dbraw/zinc/39/43/98/780394398.db2.gz OVIQLLFCTDSFAC-MRVPVSSYSA-N 1 1 312.334 -2.305 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCCC1=O)[C@@H]1CCC(=O)NC1=O ZINC001233794618 780394724 /nfs/dbraw/zinc/39/47/24/780394724.db2.gz ZEIVHUNCYZNAEJ-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)CN1CN=NC1=O ZINC001233846118 780396959 /nfs/dbraw/zinc/39/69/59/780396959.db2.gz DQSFJQDKILQVEI-NSHDSACASA-N 1 1 320.357 -1.192 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)CN1CN=NC1=O ZINC001233846118 780396968 /nfs/dbraw/zinc/39/69/68/780396968.db2.gz DQSFJQDKILQVEI-NSHDSACASA-N 1 1 320.357 -1.192 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847789 780397390 /nfs/dbraw/zinc/39/73/90/780397390.db2.gz SLOSCEXZSCJYKX-GHMZBOCLSA-N 1 1 313.358 -1.476 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)CN1CN=NC1=O ZINC001233846116 780398250 /nfs/dbraw/zinc/39/82/50/780398250.db2.gz DQSFJQDKILQVEI-LLVKDONJSA-N 1 1 320.357 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)CN1CN=NC1=O ZINC001233846116 780398259 /nfs/dbraw/zinc/39/82/59/780398259.db2.gz DQSFJQDKILQVEI-LLVKDONJSA-N 1 1 320.357 -1.192 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001233857804 780399695 /nfs/dbraw/zinc/39/96/95/780399695.db2.gz UYYPEXBCHJOURU-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001233857804 780399703 /nfs/dbraw/zinc/39/97/03/780399703.db2.gz UYYPEXBCHJOURU-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233890052 780399747 /nfs/dbraw/zinc/39/97/47/780399747.db2.gz GEJJSDZJSWGBPW-GARJFASQSA-N 1 1 302.375 -1.417 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCOCCO ZINC001233891947 780399802 /nfs/dbraw/zinc/39/98/02/780399802.db2.gz XXHBDYVYBACGFD-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COC(=O)N1 ZINC001233992048 780401481 /nfs/dbraw/zinc/40/14/81/780401481.db2.gz VCZODUPIHIGCPV-GHMZBOCLSA-N 1 1 301.343 -1.364 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cccn1)CCNS(C)(=O)=O ZINC001233932420 780401634 /nfs/dbraw/zinc/40/16/34/780401634.db2.gz IGFXGHLZMDTWBG-UHFFFAOYSA-N 1 1 317.415 -1.130 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COC(=O)N1 ZINC001233992054 780401849 /nfs/dbraw/zinc/40/18/49/780401849.db2.gz VCZODUPIHIGCPV-WDEREUQCSA-N 1 1 301.343 -1.364 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001234173524 780403939 /nfs/dbraw/zinc/40/39/39/780403939.db2.gz VABAZODERVYRNY-LLVKDONJSA-N 1 1 312.370 -1.292 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001234173480 780403997 /nfs/dbraw/zinc/40/39/97/780403997.db2.gz UCMHCWHCIRYDAA-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001277846910 780406093 /nfs/dbraw/zinc/40/60/93/780406093.db2.gz UZGHWZJMCQOPTF-WPRPVWTQSA-N 1 1 323.357 -1.650 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)Cn1ncnn1 ZINC001234367445 780407009 /nfs/dbraw/zinc/40/70/09/780407009.db2.gz XCQCWIASKKLYCS-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)Cn1ncnn1 ZINC001234367445 780407017 /nfs/dbraw/zinc/40/70/17/780407017.db2.gz XCQCWIASKKLYCS-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)CCNS(C)(=O)=O ZINC001234496517 780408548 /nfs/dbraw/zinc/40/85/48/780408548.db2.gz FXCJZQQJFWZGJK-UHFFFAOYSA-N 1 1 324.403 -1.670 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001234496226 780408644 /nfs/dbraw/zinc/40/86/44/780408644.db2.gz DWAUZNUEISUZHH-VIFPVBQESA-N 1 1 314.342 -1.414 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413380 780408662 /nfs/dbraw/zinc/40/86/62/780408662.db2.gz JJZBVZVQWOCQNJ-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001234498270 780409211 /nfs/dbraw/zinc/40/92/11/780409211.db2.gz ZGFXUMLZJKDVBB-UHFFFAOYSA-N 1 1 315.374 -1.194 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001234446669 780409253 /nfs/dbraw/zinc/40/92/53/780409253.db2.gz QWLZTOLURYFNNR-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413375 780409387 /nfs/dbraw/zinc/40/93/87/780409387.db2.gz JJZBVZVQWOCQNJ-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001234512925 780410024 /nfs/dbraw/zinc/41/00/24/780410024.db2.gz PMGPDYMQRXOYAL-QMMMGPOBSA-N 1 1 317.346 -1.636 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001234975085 780411881 /nfs/dbraw/zinc/41/18/81/780411881.db2.gz QAGMNILCQUEFNU-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CN(C)S(C)(=O)=O ZINC001234971409 780412359 /nfs/dbraw/zinc/41/23/59/780412359.db2.gz BUYBAOULDMYCNW-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235002730 780413414 /nfs/dbraw/zinc/41/34/14/780413414.db2.gz DNNOTDPHYWMPSX-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001235055242 780414879 /nfs/dbraw/zinc/41/48/79/780414879.db2.gz ZOLXXLXNCSYMBN-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001235055242 780414883 /nfs/dbraw/zinc/41/48/83/780414883.db2.gz ZOLXXLXNCSYMBN-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001235050247 780415451 /nfs/dbraw/zinc/41/54/51/780415451.db2.gz DLBHPJVLVPXVFZ-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001235050247 780415456 /nfs/dbraw/zinc/41/54/56/780415456.db2.gz DLBHPJVLVPXVFZ-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO Cn1cc(CC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001235437279 780416208 /nfs/dbraw/zinc/41/62/08/780416208.db2.gz YFHBLDZKKHOYBZ-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001235487735 780417050 /nfs/dbraw/zinc/41/70/50/780417050.db2.gz FCJJAKWBHNFUGL-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235525963 780417177 /nfs/dbraw/zinc/41/71/77/780417177.db2.gz MRHFOIKGEIRLRM-BDAKNGLRSA-N 1 1 314.342 -1.572 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC1CC1 ZINC001277964865 780418276 /nfs/dbraw/zinc/41/82/76/780418276.db2.gz HTNBXMPUAAKVPP-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)CCN1C(=O)CCC1=O ZINC001235766766 780418940 /nfs/dbraw/zinc/41/89/40/780418940.db2.gz QGLCUPSKMBWMJJ-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO NC(=O)CC(=O)NC1(CO)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001281799675 780422572 /nfs/dbraw/zinc/42/25/72/780422572.db2.gz KAXHYBATLXRFQH-UHFFFAOYSA-N 1 1 312.370 -1.917 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001278128166 780431043 /nfs/dbraw/zinc/43/10/43/780431043.db2.gz GOUJAMPDPNSPOP-QWRGUYRKSA-N 1 1 310.354 -1.060 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCNC2=O)cn1 ZINC001278156157 780432026 /nfs/dbraw/zinc/43/20/26/780432026.db2.gz VWENUILFHOPVJN-SWLSCSKDSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001278155116 780432185 /nfs/dbraw/zinc/43/21/85/780432185.db2.gz MNSDYJZQWAUIMS-XHDPSFHLSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278154641 780432537 /nfs/dbraw/zinc/43/25/37/780432537.db2.gz GSOSVVVYPCERGA-HZMBPMFUSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(NC[C@H](CO)N[C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001278178390 780433216 /nfs/dbraw/zinc/43/32/16/780433216.db2.gz FSBCHLVYMMJIRJ-GHMZBOCLSA-N 1 1 324.381 -2.046 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(=O)NCC1CC1)NC1CC1 ZINC001278179743 780433472 /nfs/dbraw/zinc/43/34/72/780433472.db2.gz VAHITZIJUMVSPZ-NSHDSACASA-N 1 1 312.370 -2.142 20 0 DAADMO O=S(=O)(N[C@@H]1CCS(=O)(=O)C12CNC2)C1CC[NH2+]CC1 ZINC001238244530 780436967 /nfs/dbraw/zinc/43/69/67/780436967.db2.gz XAWUIBOOHBPVCA-SNVBAGLBSA-N 1 1 323.440 -1.813 20 0 DAADMO O=S(=O)(N[C@H]1CCS(=O)(=O)C12CNC2)C1CC[NH2+]CC1 ZINC001238244528 780436989 /nfs/dbraw/zinc/43/69/89/780436989.db2.gz XAWUIBOOHBPVCA-JTQLQIEISA-N 1 1 323.440 -1.813 20 0 DAADMO O=S(=O)(NCc1nnc2n1CCCNC2)[C@@H]1CC[NH2+]C1 ZINC001238255576 780437143 /nfs/dbraw/zinc/43/71/43/780437143.db2.gz ILVYVIAOCZWXHL-SECBINFHSA-N 1 1 300.388 -1.447 20 0 DAADMO COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238705874 780439318 /nfs/dbraw/zinc/43/93/18/780439318.db2.gz DQXWYZNRMNPUJL-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c(n2)CNCCC3)CN1 ZINC001246132493 780450690 /nfs/dbraw/zinc/45/06/90/780450690.db2.gz LSRVUMICKSEYRJ-PWSUYJOCSA-N 1 1 321.381 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278450601 780453920 /nfs/dbraw/zinc/45/39/20/780453920.db2.gz RIJJKUXSLBRKOO-YMTOWFKASA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278450601 780453929 /nfs/dbraw/zinc/45/39/29/780453929.db2.gz RIJJKUXSLBRKOO-YMTOWFKASA-N 1 1 310.354 -1.634 20 0 DAADMO COC(=O)[C@H](N)CC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246334700 780454443 /nfs/dbraw/zinc/45/44/43/780454443.db2.gz PBWNNFRQJBSADD-MXWKQRLJSA-N 1 1 316.427 -1.270 20 0 DAADMO COCCN1C[C@@H]2C[N@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1=O ZINC001246754460 780456673 /nfs/dbraw/zinc/45/66/73/780456673.db2.gz IRGXUZIPIRHIPD-VOAKCMCISA-N 1 1 311.382 -1.074 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CC(N3CCS(=O)(=O)CC3)C2)C[NH2+]1 ZINC001246821640 780456871 /nfs/dbraw/zinc/45/68/71/780456871.db2.gz TWBJHQPDTFCICB-JQWIXIFHSA-N 1 1 317.411 -1.696 20 0 DAADMO NC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCN1 ZINC001246798203 780456897 /nfs/dbraw/zinc/45/68/97/780456897.db2.gz SQVFWSDIWZEHCD-VWYCJHECSA-N 1 1 313.427 -1.991 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001246757563 780457226 /nfs/dbraw/zinc/45/72/26/780457226.db2.gz CEIGBTVOIPXTJF-HUBLWGQQSA-N 1 1 324.381 -1.687 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CCN(C(C)=O)C[C@@H]2C(=O)OC)C[NH2+]1 ZINC001246907310 780458098 /nfs/dbraw/zinc/45/80/98/780458098.db2.gz FHLAHRVPKRLBHQ-GRYCIOLGSA-N 1 1 313.354 -1.404 20 0 DAADMO NC(=O)C([NH2+]C[C@H](O)COCC(F)(F)C(F)F)C(N)=O ZINC001251621700 780466004 /nfs/dbraw/zinc/46/60/04/780466004.db2.gz GATCXIZCVAWSGO-BYPYZUCNSA-N 1 1 305.228 -1.807 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC001251735241 780466243 /nfs/dbraw/zinc/46/62/43/780466243.db2.gz SSTGCCJXELXGBU-LLVKDONJSA-N 1 1 322.431 -1.068 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)Nc1cnn(CC(N)=O)c1)C1CC1 ZINC001251923358 780467034 /nfs/dbraw/zinc/46/70/34/780467034.db2.gz OJVYODWQWYQDLN-UHFFFAOYSA-N 1 1 308.342 -1.483 20 0 DAADMO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](C[C@H](O)CO)C[C@@H]21 ZINC001252058209 780468334 /nfs/dbraw/zinc/46/83/34/780468334.db2.gz YSURIWYHFXBILO-ZDEQEGDKSA-N 1 1 301.387 -1.052 20 0 DAADMO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)CO)[C@@H]2CCCO[C@H]12 ZINC001252059558 780468721 /nfs/dbraw/zinc/46/87/21/780468721.db2.gz BHNNVCJSTRAESU-UMSGYPCISA-N 1 1 324.381 -1.265 20 0 DAADMO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CO)[C@@H]2CCCO[C@H]12 ZINC001252059558 780468728 /nfs/dbraw/zinc/46/87/28/780468728.db2.gz BHNNVCJSTRAESU-UMSGYPCISA-N 1 1 324.381 -1.265 20 0 DAADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001252059937 780468765 /nfs/dbraw/zinc/46/87/65/780468765.db2.gz QPOKRGDUBRMSBE-ZFWWWQNUSA-N 1 1 316.398 -1.075 20 0 DAADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001252059937 780468769 /nfs/dbraw/zinc/46/87/69/780468769.db2.gz QPOKRGDUBRMSBE-ZFWWWQNUSA-N 1 1 316.398 -1.075 20 0 DAADMO CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001252058748 780468959 /nfs/dbraw/zinc/46/89/59/780468959.db2.gz HFZVPSFTSZVZSU-SWLSCSKDSA-N 1 1 313.398 -1.258 20 0 DAADMO CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC001252057976 780469047 /nfs/dbraw/zinc/46/90/47/780469047.db2.gz SSIZWAIUNVDMNH-ZFWWWQNUSA-N 1 1 315.414 -1.500 20 0 DAADMO O=C(N[C@H]1C[N@@H+](C[C@H](O)CO)[C@H]2CCCO[C@@H]12)c1ccno1 ZINC001252059156 780469187 /nfs/dbraw/zinc/46/91/87/780469187.db2.gz RBKSMWGFBKBEHR-ZPFDUUQYSA-N 1 1 311.338 -1.011 20 0 DAADMO O=C(N[C@H]1C[N@H+](C[C@H](O)CO)[C@H]2CCCO[C@@H]12)c1ccno1 ZINC001252059156 780469195 /nfs/dbraw/zinc/46/91/95/780469195.db2.gz RBKSMWGFBKBEHR-ZPFDUUQYSA-N 1 1 311.338 -1.011 20 0 DAADMO CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001252058749 780469351 /nfs/dbraw/zinc/46/93/51/780469351.db2.gz HFZVPSFTSZVZSU-WFASDCNBSA-N 1 1 313.398 -1.258 20 0 DAADMO O=C([C@H]1C[N@@H+](C[C@H](O)CO)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001252057722 780469460 /nfs/dbraw/zinc/46/94/60/780469460.db2.gz MZXXTESQBBEFSK-XDQVBPFNSA-N 1 1 314.382 -1.465 20 0 DAADMO O=S1(=O)CCN(c2ccnc(C[NH2+]C[C@H](O)CO)c2)CC1 ZINC001252074940 780469479 /nfs/dbraw/zinc/46/94/79/780469479.db2.gz SULMDRRPGWJDLM-ZDUSSCGKSA-N 1 1 315.395 -1.241 20 0 DAADMO COc1cc(OC)nc(CN2CC[NH+](C[C@H](O)CO)CC2)n1 ZINC001252059783 780469524 /nfs/dbraw/zinc/46/95/24/780469524.db2.gz MLUDUSIMOCXZGQ-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001252418111 780470053 /nfs/dbraw/zinc/47/00/53/780470053.db2.gz PDCGTYISHLKTLQ-VWYCJHECSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001252418111 780470061 /nfs/dbraw/zinc/47/00/61/780470061.db2.gz PDCGTYISHLKTLQ-VWYCJHECSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252419005 780470559 /nfs/dbraw/zinc/47/05/59/780470559.db2.gz WGWZBFVLFNMPCK-GARJFASQSA-N 1 1 313.354 -1.716 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252419005 780470560 /nfs/dbraw/zinc/47/05/60/780470560.db2.gz WGWZBFVLFNMPCK-GARJFASQSA-N 1 1 313.354 -1.716 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(=O)OC)C1 ZINC001252419122 780470705 /nfs/dbraw/zinc/47/07/05/780470705.db2.gz FHILASQJZUXJNM-AEJSXWLSSA-N 1 1 303.311 -1.196 20 0 DAADMO NS(=O)(=O)CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001252416934 780470757 /nfs/dbraw/zinc/47/07/57/780470757.db2.gz BJAYAOAIFKHZQX-QWRGUYRKSA-N 1 1 320.415 -1.173 20 0 DAADMO COC(=O)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001252452968 780472199 /nfs/dbraw/zinc/47/21/99/780472199.db2.gz SLYVXCOUXFOYJI-NWDGAFQWSA-N 1 1 323.349 -1.677 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252814942 780473272 /nfs/dbraw/zinc/47/32/72/780473272.db2.gz HNQCEVMZRGESDD-WUHRBBMRSA-N 1 1 302.371 -1.202 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cc[n+]([O-])cc1 ZINC001278718455 780475172 /nfs/dbraw/zinc/47/51/72/780475172.db2.gz FDUAJPCNMVPMES-CYBMUJFWSA-N 1 1 320.353 -1.329 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001278749201 780478596 /nfs/dbraw/zinc/47/85/96/780478596.db2.gz HJJUDAQIUPYEGD-NSHDSACASA-N 1 1 312.374 -1.750 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001278749200 780478859 /nfs/dbraw/zinc/47/88/59/780478859.db2.gz HJJUDAQIUPYEGD-LLVKDONJSA-N 1 1 312.374 -1.750 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)ncn1 ZINC001278766942 780484117 /nfs/dbraw/zinc/48/41/17/780484117.db2.gz OTONPUMOJJQQLC-CQSZACIVSA-N 1 1 307.354 -1.287 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)ncn1 ZINC001278766942 780484121 /nfs/dbraw/zinc/48/41/21/780484121.db2.gz OTONPUMOJJQQLC-CQSZACIVSA-N 1 1 307.354 -1.287 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766323 780484331 /nfs/dbraw/zinc/48/43/31/780484331.db2.gz IVIGRIJZQJOTCY-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766323 780484335 /nfs/dbraw/zinc/48/43/35/780484335.db2.gz IVIGRIJZQJOTCY-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO CC(C)C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)NCC(N)=O ZINC001254327007 780485240 /nfs/dbraw/zinc/48/52/40/780485240.db2.gz POCTVRLDEAPCQN-ZJUUUORDSA-N 1 1 305.400 -1.221 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278787399 780487343 /nfs/dbraw/zinc/48/73/43/780487343.db2.gz REEICGHKBGMEPJ-YMTOWFKASA-N 1 1 314.386 -1.815 20 0 DAADMO NC(=O)NCCCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001278789713 780487631 /nfs/dbraw/zinc/48/76/31/780487631.db2.gz BMFWTGFIQZJGBA-ZDUSSCGKSA-N 1 1 302.375 -1.630 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CCNC1=O ZINC001278789842 780487968 /nfs/dbraw/zinc/48/79/68/780487968.db2.gz ASMHHDXHTZXIJD-RKDXNWHRSA-N 1 1 313.383 -1.417 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CCNC1=O ZINC001278789841 780488147 /nfs/dbraw/zinc/48/81/47/780488147.db2.gz ASMHHDXHTZXIJD-IUCAKERBSA-N 1 1 313.383 -1.417 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278787398 780488231 /nfs/dbraw/zinc/48/82/31/780488231.db2.gz REEICGHKBGMEPJ-XPTSAGLGSA-N 1 1 314.386 -1.815 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCN(C)C1=O ZINC001278798241 780489097 /nfs/dbraw/zinc/48/90/97/780489097.db2.gz NSSPAEFYZSKGAW-NWDGAFQWSA-N 1 1 324.385 -1.798 20 0 DAADMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001254655872 780490607 /nfs/dbraw/zinc/49/06/07/780490607.db2.gz VMNZJJZGTZMDRP-VIFPVBQESA-N 1 1 304.372 -1.319 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800802 780490667 /nfs/dbraw/zinc/49/06/67/780490667.db2.gz QDDJOVCRNKNIIK-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800802 780490675 /nfs/dbraw/zinc/49/06/75/780490675.db2.gz QDDJOVCRNKNIIK-HZMBPMFUSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278799736 780491054 /nfs/dbraw/zinc/49/10/54/780491054.db2.gz FUYWMALIILLFOG-LKFCYVNXSA-N 1 1 314.386 -1.672 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1=O ZINC001278815555 780491769 /nfs/dbraw/zinc/49/17/69/780491769.db2.gz GLQSMDFPEJOKOE-HNNXBMFYSA-N 1 1 324.381 -1.157 20 0 DAADMO OC[C@H]1O[C@H](O)[C@H](N[C@H]2CC3CC[NH+](CC3)C2)[C@@H](O)[C@@H]1O ZINC001254841825 780492007 /nfs/dbraw/zinc/49/20/07/780492007.db2.gz BCVKDOHDAJCZBR-NFTYFPCCSA-N 1 1 302.371 -2.140 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)c1cccnn1 ZINC001278815747 780492346 /nfs/dbraw/zinc/49/23/46/780492346.db2.gz IEZBGGUMWHUSHJ-AWEZNQCLSA-N 1 1 310.354 -1.348 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)Cc1ncn[nH]1 ZINC001278823808 780494118 /nfs/dbraw/zinc/49/41/18/780494118.db2.gz RTCVEXIHNKSPGX-SNVBAGLBSA-N 1 1 308.346 -1.952 20 0 DAADMO CN(Cc1nc(=O)n(C)[n-]1)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278850054 780496554 /nfs/dbraw/zinc/49/65/54/780496554.db2.gz NFWSTVGPKMFNMO-MRVPVSSYSA-N 1 1 314.346 -2.765 20 0 DAADMO NC(=O)CC(=O)NCC1(O)C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001278848834 780496658 /nfs/dbraw/zinc/49/66/58/780496658.db2.gz QXAGVORCALRSNX-GFCCVEGCSA-N 1 1 313.398 -1.034 20 0 DAADMO NC(=O)CC(=O)NCC1(O)C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001278848835 780496907 /nfs/dbraw/zinc/49/69/07/780496907.db2.gz QXAGVORCALRSNX-LBPRGKRZSA-N 1 1 313.398 -1.034 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)C[C@H]1CC(=O)NC1=O ZINC001278844368 780497006 /nfs/dbraw/zinc/49/70/06/780497006.db2.gz FVBWXKDHUBZXAN-KOLCDFICSA-N 1 1 324.337 -1.364 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001278859894 780497253 /nfs/dbraw/zinc/49/72/53/780497253.db2.gz KMWUHAMZZHVEPF-ZJUUUORDSA-N 1 1 300.359 -1.254 20 0 DAADMO CCS(=O)(=O)CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278868981 780500035 /nfs/dbraw/zinc/50/00/35/780500035.db2.gz LNXGYZCXEASCCI-SNVBAGLBSA-N 1 1 323.415 -1.952 20 0 DAADMO CCS(=O)(=O)CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278868981 780500044 /nfs/dbraw/zinc/50/00/44/780500044.db2.gz LNXGYZCXEASCCI-SNVBAGLBSA-N 1 1 323.415 -1.952 20 0 DAADMO COC[C@H](C)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001255561466 780500391 /nfs/dbraw/zinc/50/03/91/780500391.db2.gz CCAIOUNXCKSJMV-RULNCXCMSA-N 1 1 315.326 -1.807 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001255596680 780500443 /nfs/dbraw/zinc/50/04/43/780500443.db2.gz UUDANYXUTISXHR-WHOHXGKFSA-N 1 1 312.418 -1.012 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278889354 780503459 /nfs/dbraw/zinc/50/34/59/780503459.db2.gz SISYXGJGAIKHOE-QWRGUYRKSA-N 1 1 315.370 -1.563 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CCOCCO)C1 ZINC001278883704 780503666 /nfs/dbraw/zinc/50/36/66/780503666.db2.gz PYMVSVKWXXSYOB-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]2NCN[C@@H]21 ZINC001255978283 780505176 /nfs/dbraw/zinc/50/51/76/780505176.db2.gz CAJLWHVUPQMLIV-BBBLOLIVSA-N 1 1 322.335 -1.468 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025934 780505922 /nfs/dbraw/zinc/50/59/22/780505922.db2.gz OSONAURCQABZAM-NWDGAFQWSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025934 780505927 /nfs/dbraw/zinc/50/59/27/780505927.db2.gz OSONAURCQABZAM-NWDGAFQWSA-N 1 1 315.370 -1.116 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(c3ncccn3)CC2)[C@H]2NCN[C@@H]21 ZINC001256053996 780506483 /nfs/dbraw/zinc/50/64/83/780506483.db2.gz MCAJAJAWKQTREC-JHJVBQTASA-N 1 1 304.402 -1.562 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025938 780506639 /nfs/dbraw/zinc/50/66/39/780506639.db2.gz OSONAURCQABZAM-RYUDHWBXSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025938 780506646 /nfs/dbraw/zinc/50/66/46/780506646.db2.gz OSONAURCQABZAM-RYUDHWBXSA-N 1 1 315.370 -1.116 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001256204369 780507918 /nfs/dbraw/zinc/50/79/18/780507918.db2.gz CQWODUZKHIOCOL-GFCCVEGCSA-N 1 1 318.399 -1.058 20 0 DAADMO C[N@@H+]1CC=C(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001256497406 780509159 /nfs/dbraw/zinc/50/91/59/780509159.db2.gz XEDSXPYZKOGQNW-UHFFFAOYSA-N 1 1 313.383 -1.091 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCn1cccn1 ZINC001257009280 780511855 /nfs/dbraw/zinc/51/18/55/780511855.db2.gz PKUXGWKVPFLURK-ZDUSSCGKSA-N 1 1 322.413 -1.249 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001257051486 780512175 /nfs/dbraw/zinc/51/21/75/780512175.db2.gz UXWSKTPOTNCKDU-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO CS(=O)(=O)N1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001257230862 780513152 /nfs/dbraw/zinc/51/31/52/780513152.db2.gz JVTCIPXAYJFGSH-GARJFASQSA-N 1 1 304.420 -2.597 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001257383669 780514429 /nfs/dbraw/zinc/51/44/29/780514429.db2.gz WHFJQIOKWPNZLJ-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001257383669 780514436 /nfs/dbraw/zinc/51/44/36/780514436.db2.gz WHFJQIOKWPNZLJ-JQWIXIFHSA-N 1 1 309.370 -1.128 20 0 DAADMO COC(=O)[C@@H]1CC[C@H]([NH2+]C(C(N)=O)C(N)=O)C[C@H]1C(=O)OC ZINC001257721734 780515662 /nfs/dbraw/zinc/51/56/62/780515662.db2.gz CLNYFBOTGUWHSS-XLPZGREQSA-N 1 1 315.326 -1.954 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001257581431 780516539 /nfs/dbraw/zinc/51/65/39/780516539.db2.gz NLHKZKJNGSWPQH-VXGBXAGGSA-N 1 1 322.369 -1.626 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC001258384856 780521460 /nfs/dbraw/zinc/52/14/60/780521460.db2.gz ZCOMGQZCYOHAOX-AVGNSLFASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H](O)CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001258382327 780521795 /nfs/dbraw/zinc/52/17/95/780521795.db2.gz HCPGPRXDIOLIFI-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C)C[N@H+]1CCO ZINC001299566272 780524911 /nfs/dbraw/zinc/52/49/11/780524911.db2.gz YMEZTVZJYHZAQB-NEPJUHHUSA-N 1 1 324.381 -1.160 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001261131573 780536046 /nfs/dbraw/zinc/53/60/46/780536046.db2.gz LFDBSXGRNVXDRD-WDEREUQCSA-N 1 1 310.354 -1.452 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001261131571 780536137 /nfs/dbraw/zinc/53/61/37/780536137.db2.gz LFDBSXGRNVXDRD-MNOVXSKESA-N 1 1 310.354 -1.452 20 0 DAADMO O=C(NCCc1cnccn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261561311 780548417 /nfs/dbraw/zinc/54/84/17/780548417.db2.gz MPQKMUFDBKWQGO-QWHCGFSZSA-N 1 1 319.365 -1.587 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554719 780548721 /nfs/dbraw/zinc/54/87/21/780548721.db2.gz LILZVROAGFZQMS-ZDEQEGDKSA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC001261554718 780548795 /nfs/dbraw/zinc/54/87/95/780548795.db2.gz LILZVROAGFZQMS-QNWHQSFQSA-N 1 1 310.398 -1.480 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001261562904 780550186 /nfs/dbraw/zinc/55/01/86/780550186.db2.gz YHWNBTVJTQOCTF-WCQYABFASA-N 1 1 312.414 -1.280 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1=O ZINC001261625819 780551249 /nfs/dbraw/zinc/55/12/49/780551249.db2.gz BDQWTHGKSKEIES-NWDGAFQWSA-N 1 1 324.381 -2.046 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@@H+](C)C1CC1 ZINC001261693081 780554164 /nfs/dbraw/zinc/55/41/64/780554164.db2.gz FLKZVWJDPPGMAV-LLVKDONJSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCC(O)(CO)CC1)[N@@H+](C)C1CC1 ZINC001261693082 780554252 /nfs/dbraw/zinc/55/42/52/780554252.db2.gz FLKZVWJDPPGMAV-NSHDSACASA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCOCCF)[C@H]1C[N@H+](C)CCO1 ZINC001261734125 780555542 /nfs/dbraw/zinc/55/55/42/780555542.db2.gz PZHNCRSUOXILOH-GHMZBOCLSA-N 1 1 305.350 -1.076 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCOCCF)[C@H]1C[N@@H+](C)CCO1 ZINC001261734125 780555550 /nfs/dbraw/zinc/55/55/50/780555550.db2.gz PZHNCRSUOXILOH-GHMZBOCLSA-N 1 1 305.350 -1.076 20 0 DAADMO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC001261824157 780559850 /nfs/dbraw/zinc/55/98/50/780559850.db2.gz RGXWTIHRFJBKTN-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1C[N@H+](C)CCO1 ZINC001261922420 780563679 /nfs/dbraw/zinc/56/36/79/780563679.db2.gz WXRICTYZAQQWMV-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1cncn1)[C@H]1C[N@@H+](C)CCO1 ZINC001261922420 780563683 /nfs/dbraw/zinc/56/36/83/780563683.db2.gz WXRICTYZAQQWMV-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ncccn2)C1 ZINC001261928938 780564342 /nfs/dbraw/zinc/56/43/42/780564342.db2.gz ROUJBSVNXWHSKU-LLVKDONJSA-N 1 1 307.354 -1.070 20 0 DAADMO Cn1ncnc1C1(O)CN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC001262030359 780565158 /nfs/dbraw/zinc/56/51/58/780565158.db2.gz GPIUPRHQECNLGJ-UHFFFAOYSA-N 1 1 324.385 -1.250 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccn(CCF)n1 ZINC001262096128 780567157 /nfs/dbraw/zinc/56/71/57/780567157.db2.gz MPHYZWFTMCXAAL-UHFFFAOYSA-N 1 1 301.322 -1.169 20 0 DAADMO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001262492129 780571584 /nfs/dbraw/zinc/57/15/84/780571584.db2.gz ADYHWQVXVLAJJE-GHMZBOCLSA-N 1 1 317.411 -1.158 20 0 DAADMO O=C(NC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001262545994 780574742 /nfs/dbraw/zinc/57/47/42/780574742.db2.gz MYFXMGUXWQHUEZ-ZIAGYGMSSA-N 1 1 324.425 -1.088 20 0 DAADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)n1 ZINC001262742643 780575820 /nfs/dbraw/zinc/57/58/20/780575820.db2.gz IDIRQVHKZCBVQH-JTQLQIEISA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)n1 ZINC001262742643 780575821 /nfs/dbraw/zinc/57/58/21/780575821.db2.gz IDIRQVHKZCBVQH-JTQLQIEISA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001263805040 780578093 /nfs/dbraw/zinc/57/80/93/780578093.db2.gz KJBIRRUXHQMVGN-RYUDHWBXSA-N 1 1 314.386 -1.448 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001263816737 780578908 /nfs/dbraw/zinc/57/89/08/780578908.db2.gz HQHSBWDGBABOSF-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001263816738 780579176 /nfs/dbraw/zinc/57/91/76/780579176.db2.gz HQHSBWDGBABOSF-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1C(=O)CCC1=O ZINC001263852358 780579459 /nfs/dbraw/zinc/57/94/59/780579459.db2.gz KWWMQDXEZMBWKJ-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO C[NH+](C)CCN1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000384438195 780580879 /nfs/dbraw/zinc/58/08/79/780580879.db2.gz JNEFVEYRJFDJBF-OAHLLOKOSA-N 1 1 300.447 -1.141 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001264108748 780581843 /nfs/dbraw/zinc/58/18/43/780581843.db2.gz SMUUSXVMCJKXQO-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001264108748 780581850 /nfs/dbraw/zinc/58/18/50/780581850.db2.gz SMUUSXVMCJKXQO-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO Cn1cc(CC[N@@H+](CCO)[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001264078905 780581882 /nfs/dbraw/zinc/58/18/82/780581882.db2.gz UGZFAPVGUBXDFS-CYBMUJFWSA-N 1 1 323.397 -1.267 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001264142227 780583207 /nfs/dbraw/zinc/58/32/07/780583207.db2.gz SZVLAHOMJLMKTI-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001264368738 780584050 /nfs/dbraw/zinc/58/40/50/780584050.db2.gz KXDUHJNUNRBWJP-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001264632516 780586994 /nfs/dbraw/zinc/58/69/94/780586994.db2.gz MPTIBAKPNNKPLQ-QWHCGFSZSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1nncc1C(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001264981973 780587726 /nfs/dbraw/zinc/58/77/26/780587726.db2.gz XUBVNBJRCCBTPW-SECBINFHSA-N 1 1 308.342 -1.328 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCOCC[N@H+](C)CC(N)=O ZINC001264663941 780587816 /nfs/dbraw/zinc/58/78/16/780587816.db2.gz UDQFMPVCUFBKKL-UHFFFAOYSA-N 1 1 313.358 -1.071 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCOCC[N@@H+](C)CC(N)=O ZINC001264663941 780587822 /nfs/dbraw/zinc/58/78/22/780587822.db2.gz UDQFMPVCUFBKKL-UHFFFAOYSA-N 1 1 313.358 -1.071 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001264975960 780588206 /nfs/dbraw/zinc/58/82/06/780588206.db2.gz LVRGOLZLTCMMED-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001264973595 780588497 /nfs/dbraw/zinc/58/84/97/780588497.db2.gz CPOGXEVMFSOHGX-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001265035336 780589411 /nfs/dbraw/zinc/58/94/11/780589411.db2.gz BJFGYUYGAHTDLW-UHFFFAOYSA-N 1 1 319.387 -1.245 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001265005929 780589642 /nfs/dbraw/zinc/58/96/42/780589642.db2.gz PEMLWFGQCFRMIC-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)CCCS(C)(=O)=O ZINC001265028924 780590091 /nfs/dbraw/zinc/59/00/91/780590091.db2.gz NWFZOYBXWYAEFP-JTQLQIEISA-N 1 1 320.415 -1.459 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)CCCS(C)(=O)=O ZINC001265028924 780590098 /nfs/dbraw/zinc/59/00/98/780590098.db2.gz NWFZOYBXWYAEFP-JTQLQIEISA-N 1 1 320.415 -1.459 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cn[nH]n1 ZINC001265005816 780590419 /nfs/dbraw/zinc/59/04/19/780590419.db2.gz LACWZMXFXWWGET-UHFFFAOYSA-N 1 1 311.346 -1.298 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001265005816 780590422 /nfs/dbraw/zinc/59/04/22/780590422.db2.gz LACWZMXFXWWGET-UHFFFAOYSA-N 1 1 311.346 -1.298 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cnn[nH]1 ZINC001265005816 780590425 /nfs/dbraw/zinc/59/04/25/780590425.db2.gz LACWZMXFXWWGET-UHFFFAOYSA-N 1 1 311.346 -1.298 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001265028685 780590472 /nfs/dbraw/zinc/59/04/72/780590472.db2.gz GOHSALFAYRIJRJ-QWRGUYRKSA-N 1 1 321.385 -1.115 20 0 DAADMO CCCNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001265021444 780590619 /nfs/dbraw/zinc/59/06/19/780590619.db2.gz PIASQKKJIBFMDD-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+](CCCNC(=O)[C@H]1CCNC1=O)CCCS(C)(=O)=O ZINC001265021325 780590850 /nfs/dbraw/zinc/59/08/50/780590850.db2.gz LWVLAUUCEQEWII-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCNC1=O)CCCS(C)(=O)=O ZINC001265021325 780590858 /nfs/dbraw/zinc/59/08/58/780590858.db2.gz LWVLAUUCEQEWII-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@@H+](CCCNC(=O)C(N)=O)C[C@H](O)CN1CCCC1=O ZINC001265030658 780590920 /nfs/dbraw/zinc/59/09/20/780590920.db2.gz CZBUHKWYUWNZJO-JTQLQIEISA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H](O)C[N@@H+](CCCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001265164667 780593588 /nfs/dbraw/zinc/59/35/88/780593588.db2.gz QDAWCRSTBRKPTK-ONGXEEELSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265201316 780593818 /nfs/dbraw/zinc/59/38/18/780593818.db2.gz NCQANWYSPNAFFO-GHMZBOCLSA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265201316 780593825 /nfs/dbraw/zinc/59/38/25/780593825.db2.gz NCQANWYSPNAFFO-GHMZBOCLSA-N 1 1 310.354 -1.492 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001265171634 780594005 /nfs/dbraw/zinc/59/40/05/780594005.db2.gz UFORZOANGINKRJ-MWLCHTKSSA-N 1 1 311.386 -1.146 20 0 DAADMO COCCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001265222754 780594218 /nfs/dbraw/zinc/59/42/18/780594218.db2.gz KDMZUSFGPRNWLC-NWDGAFQWSA-N 1 1 314.386 -1.089 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001265242085 780595707 /nfs/dbraw/zinc/59/57/07/780595707.db2.gz QGDLHRABEMSKRA-NSHDSACASA-N 1 1 301.391 -1.841 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)c2cncnc2)CC1 ZINC001265242299 780595796 /nfs/dbraw/zinc/59/57/96/780595796.db2.gz YFHJYSSBQITHEU-UHFFFAOYSA-N 1 1 306.370 -1.301 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001265289967 780596996 /nfs/dbraw/zinc/59/69/96/780596996.db2.gz GOJLAPSAEDPUOJ-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265270196 780597114 /nfs/dbraw/zinc/59/71/14/780597114.db2.gz AYSCPQNUJBSHQI-QWRGUYRKSA-N 1 1 310.354 -1.540 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265270196 780597118 /nfs/dbraw/zinc/59/71/18/780597118.db2.gz AYSCPQNUJBSHQI-QWRGUYRKSA-N 1 1 310.354 -1.540 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001265289968 780597448 /nfs/dbraw/zinc/59/74/48/780597448.db2.gz GOJLAPSAEDPUOJ-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265270197 780597626 /nfs/dbraw/zinc/59/76/26/780597626.db2.gz AYSCPQNUJBSHQI-WDEREUQCSA-N 1 1 310.354 -1.540 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265270197 780597633 /nfs/dbraw/zinc/59/76/33/780597633.db2.gz AYSCPQNUJBSHQI-WDEREUQCSA-N 1 1 310.354 -1.540 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001265308372 780599909 /nfs/dbraw/zinc/59/99/09/780599909.db2.gz RGSOBJPBSFUIAS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308372 780599914 /nfs/dbraw/zinc/59/99/14/780599914.db2.gz RGSOBJPBSFUIAS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308372 780599920 /nfs/dbraw/zinc/59/99/20/780599920.db2.gz RGSOBJPBSFUIAS-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317026 780600036 /nfs/dbraw/zinc/60/00/36/780600036.db2.gz IFMHNIGVYNRVEW-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CNC(=O)CC(N)=O ZINC001265643673 780606255 /nfs/dbraw/zinc/60/62/55/780606255.db2.gz QXHLZFLQAFCVOR-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CNC(=O)CC(N)=O ZINC001265643673 780606261 /nfs/dbraw/zinc/60/62/61/780606261.db2.gz QXHLZFLQAFCVOR-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001265719449 780606908 /nfs/dbraw/zinc/60/69/08/780606908.db2.gz CUKVJGFFJBJJDT-OBPIAQAESA-N 1 1 311.382 -1.447 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1ncnn1)[C@@H]1CCC(=O)NC1=O ZINC001265848884 780609928 /nfs/dbraw/zinc/60/99/28/780609928.db2.gz RVOIKWCEEPEIEU-SECBINFHSA-N 1 1 309.330 -2.084 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001265847801 780609983 /nfs/dbraw/zinc/60/99/83/780609983.db2.gz COLJWLBNBJTMSB-MRVPVSSYSA-N 1 1 309.330 -2.007 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cnnn1C ZINC001265836883 780610713 /nfs/dbraw/zinc/61/07/13/780610713.db2.gz AIBVCKZPUNROIQ-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001265875909 780611414 /nfs/dbraw/zinc/61/14/14/780611414.db2.gz NJOBWCFLQZQRPL-DTWKUNHWSA-N 1 1 308.342 -1.538 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCNC(=O)Cn1ncn(C)c1=O ZINC001265880424 780611469 /nfs/dbraw/zinc/61/14/69/780611469.db2.gz IKLGBJAHRFZYFN-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cn1ncn(C)c1=O ZINC001265879932 780611549 /nfs/dbraw/zinc/61/15/49/780611549.db2.gz AQWHBVMADDTPMF-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001265862019 780611593 /nfs/dbraw/zinc/61/15/93/780611593.db2.gz YPQOQNRGMOHBHI-MRVPVSSYSA-N 1 1 309.330 -2.039 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001265877810 780612308 /nfs/dbraw/zinc/61/23/08/780612308.db2.gz OLTRPNRVBWXRSH-SECBINFHSA-N 1 1 310.358 -1.531 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCCNC(=O)CN1CCNC(=O)C1 ZINC001265902581 780613043 /nfs/dbraw/zinc/61/30/43/780613043.db2.gz RTYBMSZPQJNVPV-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001265893568 780613207 /nfs/dbraw/zinc/61/32/07/780613207.db2.gz LHUAUWWFLWZYRZ-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001265882229 780613253 /nfs/dbraw/zinc/61/32/53/780613253.db2.gz UGXUODYMMBURFS-SNVBAGLBSA-N 1 1 323.353 -1.396 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)C[C@H](O)CN1CCCC1=O ZINC001265941026 780614416 /nfs/dbraw/zinc/61/44/16/780614416.db2.gz SYZOPTGDKYAGOD-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+](CCCNC(=O)c1ncn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001265941026 780614419 /nfs/dbraw/zinc/61/44/19/780614419.db2.gz SYZOPTGDKYAGOD-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ncn[nH]1)C[C@H](O)CN1CCCC1=O ZINC001265941026 780614426 /nfs/dbraw/zinc/61/44/26/780614426.db2.gz SYZOPTGDKYAGOD-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+](CCCNC(=O)c1nc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001265941026 780614431 /nfs/dbraw/zinc/61/44/31/780614431.db2.gz SYZOPTGDKYAGOD-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nc[nH]n1)C[C@H](O)CN1CCCC1=O ZINC001265941026 780614436 /nfs/dbraw/zinc/61/44/36/780614436.db2.gz SYZOPTGDKYAGOD-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1nccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001265931193 780614613 /nfs/dbraw/zinc/61/46/13/780614613.db2.gz AZDLVRWRVUIFNZ-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cnn(C)n1 ZINC001265938590 780614893 /nfs/dbraw/zinc/61/48/93/780614893.db2.gz CWLMJMBNRKUTIM-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@]1(C)CCNC1=O ZINC001265923480 780614901 /nfs/dbraw/zinc/61/49/01/780614901.db2.gz RLUXXHOTSHVXGE-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)Cn1nnnc1C(C)C ZINC001265935795 780615018 /nfs/dbraw/zinc/61/50/18/780615018.db2.gz XOBXTUYAPKRUFY-UHFFFAOYSA-N 1 1 311.390 -1.019 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)CN1C(=O)CNC1=O ZINC001265968995 780615915 /nfs/dbraw/zinc/61/59/15/780615915.db2.gz VWBRQIUUVNLYGL-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001265968635 780616150 /nfs/dbraw/zinc/61/61/50/780616150.db2.gz HEFPTYPRJCIGAS-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265971682 780616248 /nfs/dbraw/zinc/61/62/48/780616248.db2.gz XBIMNUXRKGVGEH-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265971682 780616255 /nfs/dbraw/zinc/61/62/55/780616255.db2.gz XBIMNUXRKGVGEH-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@@H+](CCCNC(=O)CNC(=O)NC)[C@@H]1CCN(C)C1=O ZINC001266048923 780618250 /nfs/dbraw/zinc/61/82/50/780618250.db2.gz AUGLJKSVJIGWOG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+](CC(N)=O)C2CC2)c1=O ZINC001266145247 780618537 /nfs/dbraw/zinc/61/85/37/780618537.db2.gz NWOZIACSHKNSOO-UHFFFAOYSA-N 1 1 310.358 -1.962 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001266069929 780618989 /nfs/dbraw/zinc/61/89/89/780618989.db2.gz HALMASYBVKOZIU-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1ncnn1 ZINC001266217317 780619673 /nfs/dbraw/zinc/61/96/73/780619673.db2.gz YOHBQWZCGRITMF-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001279347431 780621497 /nfs/dbraw/zinc/62/14/97/780621497.db2.gz NSNICHSJRBMGJF-XHNCKOQMSA-N 1 1 311.342 -2.165 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001279388681 780621979 /nfs/dbraw/zinc/62/19/79/780621979.db2.gz PUXBTWNZNQCHGW-XQQFMLRXSA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1ccc(C[N@H+]2CCC[C@](CO)(NC(=O)C(N)=O)C2)cc1=O ZINC001279510208 780623138 /nfs/dbraw/zinc/62/31/38/780623138.db2.gz WYUPYWXLFGSPEJ-HNNXBMFYSA-N 1 1 322.365 -1.686 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001279453816 780623189 /nfs/dbraw/zinc/62/31/89/780623189.db2.gz PUYRKLRNUDKOHD-UONOGXRCSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001279453814 780623248 /nfs/dbraw/zinc/62/32/48/780623248.db2.gz PUYRKLRNUDKOHD-KBPBESRZSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)CS(C)(=O)=O ZINC001279668136 780624232 /nfs/dbraw/zinc/62/42/32/780624232.db2.gz YDZAGTPGTWFDMX-UHFFFAOYSA-N 1 1 319.387 -2.230 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)CCNC(N)=O)CC1 ZINC001279681678 780624956 /nfs/dbraw/zinc/62/49/56/780624956.db2.gz HUFWWQAGLPUSLV-UHFFFAOYSA-N 1 1 311.386 -1.119 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)CCNC(N)=O)CC1 ZINC001279681678 780624959 /nfs/dbraw/zinc/62/49/59/780624959.db2.gz HUFWWQAGLPUSLV-UHFFFAOYSA-N 1 1 311.386 -1.119 20 0 DAADMO O=C([C@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cnns1 ZINC001279705195 780625971 /nfs/dbraw/zinc/62/59/71/780625971.db2.gz MSWQUEQXQSYMTM-SECBINFHSA-N 1 1 315.355 -1.443 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)C[C@@H]2CCNC2=O)n1 ZINC001279731290 780626402 /nfs/dbraw/zinc/62/64/02/780626402.db2.gz PGBMXIQVVMCWPV-LBPRGKRZSA-N 1 1 323.397 -1.143 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CCC(=O)N1 ZINC001279858614 780628123 /nfs/dbraw/zinc/62/81/23/780628123.db2.gz XPGRWEHRQAYQKS-LLVKDONJSA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 ZINC001279858615 780628435 /nfs/dbraw/zinc/62/84/35/780628435.db2.gz XPGRWEHRQAYQKS-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2ncccn2)nn1 ZINC001279869738 780628852 /nfs/dbraw/zinc/62/88/52/780628852.db2.gz UINQJLGMIMPAHH-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNCc1nnn(C)n1 ZINC001279901956 780629861 /nfs/dbraw/zinc/62/98/61/780629861.db2.gz YIWXIRQAJGQGHU-UHFFFAOYSA-N 1 1 322.373 -1.674 20 0 DAADMO C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)NC(=O)C(N)=O ZINC001280334395 780632442 /nfs/dbraw/zinc/63/24/42/780632442.db2.gz YRMBANQVBJBVFZ-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001280405018 780633938 /nfs/dbraw/zinc/63/39/38/780633938.db2.gz AKFAJHMPPHEWBI-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CC(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001280405018 780633942 /nfs/dbraw/zinc/63/39/42/780633942.db2.gz AKFAJHMPPHEWBI-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CCNC(=O)CC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1 ZINC001280475089 780634639 /nfs/dbraw/zinc/63/46/39/780634639.db2.gz NWLDBECDEMBHKP-UHFFFAOYSA-N 1 1 309.374 -1.135 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)CC(N)=O ZINC001280794736 780646045 /nfs/dbraw/zinc/64/60/45/780646045.db2.gz WWZZPVIHCDTFOR-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001280864468 780646305 /nfs/dbraw/zinc/64/63/05/780646305.db2.gz OMWNAZCCKUFGLQ-UHFFFAOYSA-N 1 1 312.370 -1.435 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCNC1=O ZINC001280848192 780646383 /nfs/dbraw/zinc/64/63/83/780646383.db2.gz KFOUNCSULZCKLV-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NCCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001280898070 780647131 /nfs/dbraw/zinc/64/71/31/780647131.db2.gz XWZWZVGZONITRU-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO COCC(=O)NCCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001280898070 780647133 /nfs/dbraw/zinc/64/71/33/780647133.db2.gz XWZWZVGZONITRU-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045606 780653403 /nfs/dbraw/zinc/65/34/03/780653403.db2.gz QEDJICNFNRJECZ-QWRGUYRKSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281045606 780653407 /nfs/dbraw/zinc/65/34/07/780653407.db2.gz QEDJICNFNRJECZ-QWRGUYRKSA-N 1 1 314.386 -1.456 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc[n+]([O-])cc1 ZINC001281103765 780662002 /nfs/dbraw/zinc/66/20/02/780662002.db2.gz JXMMPZHLJBQGFW-QWHCGFSZSA-N 1 1 322.365 -1.379 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001281109780 780664452 /nfs/dbraw/zinc/66/44/52/780664452.db2.gz AVQBDNVDLDPGFK-SECBINFHSA-N 1 1 323.353 -2.160 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109749 780664617 /nfs/dbraw/zinc/66/46/17/780664617.db2.gz AEKVCIJBUGKFQA-UWVGGRQHSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109749 780664619 /nfs/dbraw/zinc/66/46/19/780664619.db2.gz AEKVCIJBUGKFQA-UWVGGRQHSA-N 1 1 316.358 -2.826 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001281257487 780674261 /nfs/dbraw/zinc/67/42/61/780674261.db2.gz VOYWIIIOJQQBLR-JTQLQIEISA-N 1 1 300.359 -2.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317878 780678499 /nfs/dbraw/zinc/67/84/99/780678499.db2.gz FPHXVGDFZHOTNE-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317878 780678505 /nfs/dbraw/zinc/67/85/05/780678505.db2.gz FPHXVGDFZHOTNE-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)C(N)=O ZINC001281326384 780679768 /nfs/dbraw/zinc/67/97/68/780679768.db2.gz GEXPHDIMJRIPAI-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H](C)CNC(=O)C(N)=O ZINC001281491261 780684097 /nfs/dbraw/zinc/68/40/97/780684097.db2.gz RYXRQKGDHQCYSC-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H](C)CNC(=O)C(N)=O ZINC001281491261 780684102 /nfs/dbraw/zinc/68/41/02/780684102.db2.gz RYXRQKGDHQCYSC-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](CCCCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281559049 780685296 /nfs/dbraw/zinc/68/52/96/780685296.db2.gz TZPYCBAQHMEWIC-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CCCCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281559049 780685300 /nfs/dbraw/zinc/68/53/00/780685300.db2.gz TZPYCBAQHMEWIC-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOCCO ZINC001281931523 780697093 /nfs/dbraw/zinc/69/70/93/780697093.db2.gz BYEVAUWUJSCFMM-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H](NC(=O)Cc1cnc[nH]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192118 780702961 /nfs/dbraw/zinc/70/29/61/780702961.db2.gz KHQKXKYBHSDQFL-VHSXEESVSA-N 1 1 317.415 -1.016 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC001282230904 780703376 /nfs/dbraw/zinc/70/33/76/780703376.db2.gz ZEPDRDRBCGDIMI-IUCAKERBSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001282230902 780703704 /nfs/dbraw/zinc/70/37/04/780703704.db2.gz ZEPDRDRBCGDIMI-BDAKNGLRSA-N 1 1 323.357 -1.650 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C(=O)NCC(F)F ZINC001282425350 780704717 /nfs/dbraw/zinc/70/47/17/780704717.db2.gz QPCZMPJZJVDNJX-RKDXNWHRSA-N 1 1 311.329 -1.189 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[N@H+](C)Cc1cncn1C ZINC001282397569 780704770 /nfs/dbraw/zinc/70/47/70/780704770.db2.gz GLYSHMNWDUARIH-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[N@@H+](C)Cc1cncn1C ZINC001282397569 780704773 /nfs/dbraw/zinc/70/47/73/780704773.db2.gz GLYSHMNWDUARIH-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001282378539 780705460 /nfs/dbraw/zinc/70/54/60/780705460.db2.gz RVOHAPJDXDDZSK-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282365861 780705718 /nfs/dbraw/zinc/70/57/18/780705718.db2.gz YXDOCGPHMRRLOZ-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001282415113 780706692 /nfs/dbraw/zinc/70/66/92/780706692.db2.gz KFPGTNBCDHCJAX-WDEREUQCSA-N 1 1 323.353 -1.855 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001282470229 780709822 /nfs/dbraw/zinc/70/98/22/780709822.db2.gz WSOMZPHRIGCLFR-NXEZZACHSA-N 1 1 324.381 -1.246 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001282466857 780710182 /nfs/dbraw/zinc/71/01/82/780710182.db2.gz DYASCGWKFKVMAC-GXSJLCMTSA-N 1 1 315.370 -1.517 20 0 DAADMO C[C@@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001282741187 780714339 /nfs/dbraw/zinc/71/43/39/780714339.db2.gz NSYQEWJVNFOXMG-PSASIEDQSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CCN2CCCS2(=O)=O)C1 ZINC001282734522 780714688 /nfs/dbraw/zinc/71/46/88/780714688.db2.gz FSBOVNPKPVALIX-SECBINFHSA-N 1 1 318.399 -2.056 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)CC2(C)C)n1 ZINC001282820823 780716045 /nfs/dbraw/zinc/71/60/45/780716045.db2.gz FFIZXUYURZIBOU-SNVBAGLBSA-N 1 1 312.374 -1.341 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001282873573 780717130 /nfs/dbraw/zinc/71/71/30/780717130.db2.gz KKEASKTUDHXPMH-YFKTTZPYSA-N 1 1 312.370 -2.029 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)C1CC1 ZINC001282872936 780717417 /nfs/dbraw/zinc/71/74/17/780717417.db2.gz CPKKOPCQBGORPM-HKWIRBFKSA-N 1 1 308.382 -1.320 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CCn2cccn2)C1 ZINC001282915598 780721910 /nfs/dbraw/zinc/72/19/10/780721910.db2.gz AQENBGGJIISUOI-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CCn2cccn2)C1 ZINC001282915598 780721914 /nfs/dbraw/zinc/72/19/14/780721914.db2.gz AQENBGGJIISUOI-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO COC[C@@H](OC)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282959113 780725702 /nfs/dbraw/zinc/72/57/02/780725702.db2.gz KDZUHWUUVFTJMK-GHMZBOCLSA-N 1 1 303.359 -1.789 20 0 DAADMO COC[C@@H](OC)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282959113 780725705 /nfs/dbraw/zinc/72/57/05/780725705.db2.gz KDZUHWUUVFTJMK-GHMZBOCLSA-N 1 1 303.359 -1.789 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CC2OCCCO2)C1 ZINC001282956797 780726976 /nfs/dbraw/zinc/72/69/76/780726976.db2.gz QAWFIYUFULBGLD-LLVKDONJSA-N 1 1 315.370 -1.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CC2OCCCO2)C1 ZINC001282956797 780726978 /nfs/dbraw/zinc/72/69/78/780726978.db2.gz QAWFIYUFULBGLD-LLVKDONJSA-N 1 1 315.370 -1.298 20 0 DAADMO Cc1nnc(CC(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001282956942 780726991 /nfs/dbraw/zinc/72/69/91/780726991.db2.gz QZVHEXDCVWFWLT-SNVBAGLBSA-N 1 1 311.342 -1.516 20 0 DAADMO Cc1nnc(CC(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001282956942 780726994 /nfs/dbraw/zinc/72/69/94/780726994.db2.gz QZVHEXDCVWFWLT-SNVBAGLBSA-N 1 1 311.342 -1.516 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCNC(=O)c1nccnc1C(N)=O ZINC001283006495 780732818 /nfs/dbraw/zinc/73/28/18/780732818.db2.gz NGMQXLWBOPKPKI-UHFFFAOYSA-N 1 1 322.369 -1.237 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2ccc3nnnn3c2)C1 ZINC001283024095 780733761 /nfs/dbraw/zinc/73/37/61/780733761.db2.gz AVYWIJMKSGGGHN-LLVKDONJSA-N 1 1 317.353 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2nc3ncccn3n2)C1 ZINC001283026191 780733992 /nfs/dbraw/zinc/73/39/92/780733992.db2.gz SEDWMHOXRHARKJ-SNVBAGLBSA-N 1 1 317.353 -1.078 20 0 DAADMO COCC(=O)NCCC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283024591 780734034 /nfs/dbraw/zinc/73/40/34/780734034.db2.gz DDTRMVPWCGQLIZ-LLVKDONJSA-N 1 1 314.386 -1.677 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001283057671 780737094 /nfs/dbraw/zinc/73/70/94/780737094.db2.gz QZVMJXMIAPFURP-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)CCc2cnc[nH]2)c1=O ZINC001283070152 780738647 /nfs/dbraw/zinc/73/86/47/780738647.db2.gz BPPZNDOFBBFMLE-UHFFFAOYSA-N 1 1 321.341 -1.830 20 0 DAADMO O=C(CCc1cnc[nH]1)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001283070122 780738756 /nfs/dbraw/zinc/73/87/56/780738756.db2.gz BEYHTZNNFLBSMN-UHFFFAOYSA-N 1 1 321.337 -1.373 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001283109532 780741889 /nfs/dbraw/zinc/74/18/89/780741889.db2.gz YZJGGPVFNCZPAU-SNVBAGLBSA-N 1 1 321.337 -1.523 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001283112117 780743802 /nfs/dbraw/zinc/74/38/02/780743802.db2.gz DGOUZNGAQQXTPI-JTQLQIEISA-N 1 1 324.381 -1.387 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283212017 780749584 /nfs/dbraw/zinc/74/95/84/780749584.db2.gz MEXIALQHRMSLPB-OUAUKWLOSA-N 1 1 312.370 -1.939 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283212017 780749589 /nfs/dbraw/zinc/74/95/89/780749589.db2.gz MEXIALQHRMSLPB-OUAUKWLOSA-N 1 1 312.370 -1.939 20 0 DAADMO Cc1nonc1C(=O)NCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283212191 780749640 /nfs/dbraw/zinc/74/96/40/780749640.db2.gz RZTOPTLHMRZERU-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO Cc1nonc1C(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283212191 780749647 /nfs/dbraw/zinc/74/96/47/780749647.db2.gz RZTOPTLHMRZERU-SNVBAGLBSA-N 1 1 311.342 -1.055 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283294995 780754729 /nfs/dbraw/zinc/75/47/29/780754729.db2.gz WKMHNAOHJJZBEU-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC001283296861 780754777 /nfs/dbraw/zinc/75/47/77/780754777.db2.gz QAVRZQHITGRORB-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1COC(=O)N1 ZINC001283375170 780758160 /nfs/dbraw/zinc/75/81/60/780758160.db2.gz QDGQYKNNPKLKKV-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C(=O)NCCOCC[N@@H+](C)[C@H]1CCNC1=O)n1cncn1 ZINC001283374873 780758258 /nfs/dbraw/zinc/75/82/58/780758258.db2.gz NHGQLFFTGVLRSS-RYUDHWBXSA-N 1 1 324.385 -1.208 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCOCCN(C)CC(N)=O)CC[N@H+]1C ZINC001283376804 780758481 /nfs/dbraw/zinc/75/84/81/780758481.db2.gz HJWJPHGEZVIQFO-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCNC1=O ZINC001283386422 780758632 /nfs/dbraw/zinc/75/86/32/780758632.db2.gz BVBSVXAWLKGHNZ-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@@H](C(=O)NCCOCC[N@@H+](C)[C@@H]1CCNC1=O)n1cncn1 ZINC001283374872 780758657 /nfs/dbraw/zinc/75/86/57/780758657.db2.gz NHGQLFFTGVLRSS-NWDGAFQWSA-N 1 1 324.385 -1.208 20 0 DAADMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOCCNC(=O)C(N)=O ZINC001283407289 780759696 /nfs/dbraw/zinc/75/96/96/780759696.db2.gz JUSROIQQYOBYSU-JTQLQIEISA-N 1 1 316.402 -1.161 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283398085 780759879 /nfs/dbraw/zinc/75/98/79/780759879.db2.gz GCJGIFYEMFMJPZ-LLVKDONJSA-N 1 1 308.400 -1.522 20 0 DAADMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOCCNC(=O)C(N)=O ZINC001283407291 780759895 /nfs/dbraw/zinc/75/98/95/780759895.db2.gz JUSROIQQYOBYSU-SNVBAGLBSA-N 1 1 316.402 -1.161 20 0 DAADMO Cn1ccc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC001283420744 780761050 /nfs/dbraw/zinc/76/10/50/780761050.db2.gz ASJLTXLVSDFEES-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCN(C)C(=O)Cn1cnnn1 ZINC001283596932 780765989 /nfs/dbraw/zinc/76/59/89/780765989.db2.gz PCSYACJDQHELQX-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001283713038 780770024 /nfs/dbraw/zinc/77/00/24/780770024.db2.gz IITBUVSEXIVPFE-SECBINFHSA-N 1 1 323.357 -1.697 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1c[nH]nn1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283681181 780770365 /nfs/dbraw/zinc/77/03/65/780770365.db2.gz XBAUJUPKPZWIOA-ONGXEEELSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1cnn[nH]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283681181 780770370 /nfs/dbraw/zinc/77/03/70/780770370.db2.gz XBAUJUPKPZWIOA-ONGXEEELSA-N 1 1 322.369 -1.021 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001283763020 780775219 /nfs/dbraw/zinc/77/52/19/780775219.db2.gz FFTNQYYSKXXMTG-QWRGUYRKSA-N 1 1 321.337 -1.754 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCc1ccccc1 ZINC001283798661 780778066 /nfs/dbraw/zinc/77/80/66/780778066.db2.gz ZFFKKOTZXXXENT-NSHDSACASA-N 1 1 308.338 -2.145 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2cc(C)ncn2)CC1 ZINC001283817414 780779016 /nfs/dbraw/zinc/77/90/16/780779016.db2.gz SZGJSGRGBWLTAW-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](CCCNC(=O)C2CC2)CC1 ZINC001283813348 780779514 /nfs/dbraw/zinc/77/95/14/780779514.db2.gz MFCLRDRKPBCANQ-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CC(=O)NCC(=O)N1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001283822725 780780309 /nfs/dbraw/zinc/78/03/09/780780309.db2.gz XSLCNANNJGLGLZ-UHFFFAOYSA-N 1 1 313.358 -2.742 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001283830868 780782464 /nfs/dbraw/zinc/78/24/64/780782464.db2.gz HKZFEHJCZAESBL-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCC(=O)NC1=O ZINC001283830868 780782473 /nfs/dbraw/zinc/78/24/73/780782473.db2.gz HKZFEHJCZAESBL-MNOVXSKESA-N 1 1 314.386 -1.802 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001283843276 780783515 /nfs/dbraw/zinc/78/35/15/780783515.db2.gz UTWHXWDCJUZCHE-ZYHUDNBSSA-N 1 1 320.349 -1.299 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001283834014 780783644 /nfs/dbraw/zinc/78/36/44/780783644.db2.gz JSCBOEOMSSJMEV-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC(=O)NC2=O)on1 ZINC001283842593 780783944 /nfs/dbraw/zinc/78/39/44/780783944.db2.gz PXYFLOBHWKARHE-VHSXEESVSA-N 1 1 324.337 -1.397 20 0 DAADMO COCCOCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001283961977 780789606 /nfs/dbraw/zinc/78/96/06/780789606.db2.gz AXYGVZLSHQWKRV-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001284176325 780797053 /nfs/dbraw/zinc/79/70/53/780797053.db2.gz CYWRJRKBQWEHGO-WHOHXGKFSA-N 1 1 320.393 -1.081 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001284286107 780803454 /nfs/dbraw/zinc/80/34/54/780803454.db2.gz ZOFJGWRGMSKMQD-MWLCHTKSSA-N 1 1 307.354 -1.051 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cc[n+]([O-])cc1 ZINC001284380340 780810716 /nfs/dbraw/zinc/81/07/16/780810716.db2.gz LCXYOLUWTFBILQ-GFCCVEGCSA-N 1 1 320.353 -1.329 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)[nH]1 ZINC001284396927 780811348 /nfs/dbraw/zinc/81/13/48/780811348.db2.gz ASPGJYNBAGZUSB-ZJUUUORDSA-N 1 1 323.353 -1.454 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001284396925 780811731 /nfs/dbraw/zinc/81/17/31/780811731.db2.gz ASPGJYNBAGZUSB-VHSXEESVSA-N 1 1 323.353 -1.454 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC(N)=O)nn1 ZINC001284401838 780812814 /nfs/dbraw/zinc/81/28/14/780812814.db2.gz LDGZKYJVIRHWOA-LLVKDONJSA-N 1 1 312.374 -1.357 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)C(=O)NCC(F)F ZINC001284430716 780814628 /nfs/dbraw/zinc/81/46/28/780814628.db2.gz UUSBQLOMIQBRQC-VIFPVBQESA-N 1 1 320.296 -1.035 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCN(C)C1=O ZINC001284435816 780815889 /nfs/dbraw/zinc/81/58/89/780815889.db2.gz MQFADNXYZUBFAM-MNOVXSKESA-N 1 1 311.342 -1.543 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001284438750 780815929 /nfs/dbraw/zinc/81/59/29/780815929.db2.gz RWWULTKERBUMFE-VIFPVBQESA-N 1 1 319.387 -1.820 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284444512 780816307 /nfs/dbraw/zinc/81/63/07/780816307.db2.gz KWLULVBBPXMYNK-JTQLQIEISA-N 1 1 324.385 -1.528 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)nn1 ZINC001284437996 780816813 /nfs/dbraw/zinc/81/68/13/780816813.db2.gz BTPUDLCSFRYFJO-NWDGAFQWSA-N 1 1 324.385 -1.657 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@]1(C)CCNC1=O ZINC001284449068 780817741 /nfs/dbraw/zinc/81/77/41/780817741.db2.gz ZQNUEFUCGAXIKN-IAQYHMDHSA-N 1 1 321.381 -1.088 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284476269 780819756 /nfs/dbraw/zinc/81/97/56/780819756.db2.gz HFFYLBQPZUUYNS-NXEZZACHSA-N 1 1 301.343 -1.811 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C(=O)NCC1CC1 ZINC001284460426 780820331 /nfs/dbraw/zinc/82/03/31/780820331.db2.gz SIZKUPUFGHLRGC-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCS(C)(=O)=O)C(=O)C(N)=O ZINC001284508089 780820728 /nfs/dbraw/zinc/82/07/28/780820728.db2.gz BMPLNMCLIBHMQZ-SECBINFHSA-N 1 1 309.388 -2.343 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCS(C)(=O)=O)C(=O)C(N)=O ZINC001284508089 780820737 /nfs/dbraw/zinc/82/07/37/780820737.db2.gz BMPLNMCLIBHMQZ-SECBINFHSA-N 1 1 309.388 -2.343 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001284510692 780822929 /nfs/dbraw/zinc/82/29/29/780822929.db2.gz ZJUFYNVAAWGOJL-VXGBXAGGSA-N 1 1 301.387 -1.402 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284508259 780823303 /nfs/dbraw/zinc/82/33/03/780823303.db2.gz CMTGQBQIJNDOST-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284508259 780823313 /nfs/dbraw/zinc/82/33/13/780823313.db2.gz CMTGQBQIJNDOST-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001284508909 780824410 /nfs/dbraw/zinc/82/44/10/780824410.db2.gz HCLLURSYOKGCNU-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO COCC[N@H+](CCNC(=O)CC(N)=O)[C@@H]1CCCNC1=O ZINC001284657060 780833659 /nfs/dbraw/zinc/83/36/59/780833659.db2.gz YEBPRYFDRGKOGS-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO COCC[N@@H+](CCNC(=O)CC(N)=O)[C@@H]1CCCNC1=O ZINC001284657060 780833666 /nfs/dbraw/zinc/83/36/66/780833666.db2.gz YEBPRYFDRGKOGS-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCNC1=O ZINC001284875704 780841979 /nfs/dbraw/zinc/84/19/79/780841979.db2.gz YJAYZWWOIJCZKQ-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001284880652 780842030 /nfs/dbraw/zinc/84/20/30/780842030.db2.gz MXHRIULKBOQBAM-UHFFFAOYSA-N 1 1 307.358 -1.490 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001284880652 780842036 /nfs/dbraw/zinc/84/20/36/780842036.db2.gz MXHRIULKBOQBAM-UHFFFAOYSA-N 1 1 307.358 -1.490 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001284920371 780846767 /nfs/dbraw/zinc/84/67/67/780846767.db2.gz DODNACUIIDRRNM-UHFFFAOYSA-N 1 1 305.400 -1.334 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001284940027 780849404 /nfs/dbraw/zinc/84/94/04/780849404.db2.gz RQYUJDPHJMOHRH-NSHDSACASA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001284940027 780849413 /nfs/dbraw/zinc/84/94/13/780849413.db2.gz RQYUJDPHJMOHRH-NSHDSACASA-N 1 1 324.381 -1.700 20 0 DAADMO CNC(=O)CC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001284969081 780850844 /nfs/dbraw/zinc/85/08/44/780850844.db2.gz PPCVZRUIIGTTNA-UHFFFAOYSA-N 1 1 307.354 -1.098 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001284968276 780851066 /nfs/dbraw/zinc/85/10/66/780851066.db2.gz JBXWLGRDSNZBCY-GFCCVEGCSA-N 1 1 319.365 -1.098 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001285437807 780871648 /nfs/dbraw/zinc/87/16/48/780871648.db2.gz MJSZANULZKMBTF-WDEREUQCSA-N 1 1 323.353 -2.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510737 780874884 /nfs/dbraw/zinc/87/48/84/780874884.db2.gz IKJAQSVFKYYOTM-RKGYSMOSSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510737 780874891 /nfs/dbraw/zinc/87/48/91/780874891.db2.gz IKJAQSVFKYYOTM-RKGYSMOSSA-N 1 1 323.393 -1.002 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001285630593 780880405 /nfs/dbraw/zinc/88/04/05/780880405.db2.gz WBUGBHQUJHNFGI-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001285649926 780881393 /nfs/dbraw/zinc/88/13/93/780881393.db2.gz UNUHLSQCLSUBLM-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C1(C(N)=O)CC1 ZINC001285689245 780883418 /nfs/dbraw/zinc/88/34/18/780883418.db2.gz FOZCJDBGPVCLPL-ZJUUUORDSA-N 1 1 312.370 -1.797 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C1(C(N)=O)CC1 ZINC001285689245 780883422 /nfs/dbraw/zinc/88/34/22/780883422.db2.gz FOZCJDBGPVCLPL-ZJUUUORDSA-N 1 1 312.370 -1.797 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001285714937 780885244 /nfs/dbraw/zinc/88/52/44/780885244.db2.gz ORPBRMDZYCXGIP-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001285738066 780886239 /nfs/dbraw/zinc/88/62/39/780886239.db2.gz QTIYMGUEPIKHDA-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001285738066 780886249 /nfs/dbraw/zinc/88/62/49/780886249.db2.gz QTIYMGUEPIKHDA-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CCO)(NC(=O)CC(N)=O)C1 ZINC001285919754 780897986 /nfs/dbraw/zinc/89/79/86/780897986.db2.gz JVSBTFDJSIDEGE-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001286178101 780908166 /nfs/dbraw/zinc/90/81/66/780908166.db2.gz MNUVOHVVTDOFDR-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287751081 780923234 /nfs/dbraw/zinc/92/32/34/780923234.db2.gz MULRJXBFOYPSEO-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287751081 780923236 /nfs/dbraw/zinc/92/32/36/780923236.db2.gz MULRJXBFOYPSEO-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001287800772 780929688 /nfs/dbraw/zinc/92/96/88/780929688.db2.gz PFDXUYYMHXRYQL-UWVGGRQHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](O)C1 ZINC001090834340 781351705 /nfs/dbraw/zinc/35/17/05/781351705.db2.gz UCTBFIOTGNCVMN-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090825650 781351807 /nfs/dbraw/zinc/35/18/07/781351807.db2.gz VQKZHNFZWYSGAH-VXGBXAGGSA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090823672 781352316 /nfs/dbraw/zinc/35/23/16/781352316.db2.gz LDHUMXFBXSZNTQ-VXGBXAGGSA-N 1 1 323.397 -1.221 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090825605 781353051 /nfs/dbraw/zinc/35/30/51/781353051.db2.gz UVLAUGQWJJVOJF-QWRGUYRKSA-N 1 1 308.338 -1.662 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090834341 781353761 /nfs/dbraw/zinc/35/37/61/781353761.db2.gz UCTBFIOTGNCVMN-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090833911 781353854 /nfs/dbraw/zinc/35/38/54/781353854.db2.gz QUVYAOYKXRPRAX-JQWIXIFHSA-N 1 1 324.385 -1.416 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001090834659 781353931 /nfs/dbraw/zinc/35/39/31/781353931.db2.gz YJOYQJBJZYMPMU-ONGXEEELSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC001090834659 781353941 /nfs/dbraw/zinc/35/39/41/781353941.db2.gz YJOYQJBJZYMPMU-ONGXEEELSA-N 1 1 300.334 -1.142 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)n(C)c1=O ZINC001090837801 781354466 /nfs/dbraw/zinc/35/44/66/781354466.db2.gz XJDYWJSXFSMKJQ-ZYHUDNBSSA-N 1 1 312.370 -1.729 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cc1 ZINC001090840718 781354610 /nfs/dbraw/zinc/35/46/10/781354610.db2.gz FCGAELQQQYMROD-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)nc1 ZINC001090843886 781356062 /nfs/dbraw/zinc/35/60/62/781356062.db2.gz MFDOKKLTEBKJOV-CMPLNLGQSA-N 1 1 308.338 -1.662 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090846874 781357221 /nfs/dbraw/zinc/35/72/21/781357221.db2.gz JATBIHJJHJMURU-STQMWFEESA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090846874 781357227 /nfs/dbraw/zinc/35/72/27/781357227.db2.gz JATBIHJJHJMURU-STQMWFEESA-N 1 1 321.381 -1.333 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090847759 781358416 /nfs/dbraw/zinc/35/84/16/781358416.db2.gz BINSRVAIHCDMHC-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090847759 781358426 /nfs/dbraw/zinc/35/84/26/781358426.db2.gz BINSRVAIHCDMHC-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090852140 781358881 /nfs/dbraw/zinc/35/88/81/781358881.db2.gz NMZNECAXRDMCJC-MNOVXSKESA-N 1 1 321.341 -1.165 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090846873 781359171 /nfs/dbraw/zinc/35/91/71/781359171.db2.gz JATBIHJJHJMURU-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090846873 781359181 /nfs/dbraw/zinc/35/91/81/781359181.db2.gz JATBIHJJHJMURU-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090859357 781360956 /nfs/dbraw/zinc/36/09/56/781360956.db2.gz VQFLIIPMGWOVSL-PWSUYJOCSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090858666 781361855 /nfs/dbraw/zinc/36/18/55/781361855.db2.gz PCQDGPMXFJFCGJ-DGCLKSJQSA-N 1 1 322.365 -1.272 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149143670 781362341 /nfs/dbraw/zinc/36/23/41/781362341.db2.gz KTYIARVUFMPDHE-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149144485 781363562 /nfs/dbraw/zinc/36/35/62/781363562.db2.gz RIJWCDUMMAKRPI-QWRGUYRKSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149144485 781363569 /nfs/dbraw/zinc/36/35/69/781363569.db2.gz RIJWCDUMMAKRPI-QWRGUYRKSA-N 1 1 323.357 -2.231 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001090970513 781363617 /nfs/dbraw/zinc/36/36/17/781363617.db2.gz BSTGCQZXYMVQAO-VQXHTEKXSA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001090970513 781363626 /nfs/dbraw/zinc/36/36/26/781363626.db2.gz BSTGCQZXYMVQAO-VQXHTEKXSA-N 1 1 324.385 -1.175 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144799 781363797 /nfs/dbraw/zinc/36/37/97/781363797.db2.gz UPIVBPKUWBCPNE-NXEZZACHSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144799 781363806 /nfs/dbraw/zinc/36/38/06/781363806.db2.gz UPIVBPKUWBCPNE-NXEZZACHSA-N 1 1 311.346 -2.246 20 0 DAADMO COCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144757 781364053 /nfs/dbraw/zinc/36/40/53/781364053.db2.gz STWJHGCMFLHPSN-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149144484 781364122 /nfs/dbraw/zinc/36/41/22/781364122.db2.gz RIJWCDUMMAKRPI-MNOVXSKESA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149144484 781364130 /nfs/dbraw/zinc/36/41/30/781364130.db2.gz RIJWCDUMMAKRPI-MNOVXSKESA-N 1 1 323.357 -2.231 20 0 DAADMO COCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144758 781364945 /nfs/dbraw/zinc/36/49/45/781364945.db2.gz STWJHGCMFLHPSN-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C[C@@H]1CO ZINC001171137534 781365266 /nfs/dbraw/zinc/36/52/66/781365266.db2.gz DCTDGFZQIJNUDY-YGRLFVJLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C[C@@H]1CO ZINC001171137534 781365271 /nfs/dbraw/zinc/36/52/71/781365271.db2.gz DCTDGFZQIJNUDY-YGRLFVJLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C[C@H]1CO ZINC001171137531 781365582 /nfs/dbraw/zinc/36/55/82/781365582.db2.gz DCTDGFZQIJNUDY-HZMBPMFUSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)C[C@H]1CO ZINC001171137531 781365591 /nfs/dbraw/zinc/36/55/91/781365591.db2.gz DCTDGFZQIJNUDY-HZMBPMFUSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001090989525 781366104 /nfs/dbraw/zinc/36/61/04/781366104.db2.gz HTHPZMIMXWVEND-MCIGGMRASA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001091012586 781366897 /nfs/dbraw/zinc/36/68/97/781366897.db2.gz MQUVLPUNJJFTBS-AMDVSUOASA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1cc(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)nn1 ZINC001091009309 781367486 /nfs/dbraw/zinc/36/74/86/781367486.db2.gz GNVNOJJFBIJDIT-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091067951 781370820 /nfs/dbraw/zinc/37/08/20/781370820.db2.gz VJKGHYJJPNUINW-ZJUUUORDSA-N 1 1 308.342 -1.573 20 0 DAADMO CCc1nc(N2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091067790 781371472 /nfs/dbraw/zinc/37/14/72/781371472.db2.gz QHUFELBXSUJZOU-ZJUUUORDSA-N 1 1 322.369 -1.319 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091087001 781375327 /nfs/dbraw/zinc/37/53/27/781375327.db2.gz BYNKPZYKKFASOR-MNOVXSKESA-N 1 1 307.354 -1.105 20 0 DAADMO O=C(NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001091115137 781377434 /nfs/dbraw/zinc/37/74/34/781377434.db2.gz BNCWDBPVZPNKMX-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001160661822 781380757 /nfs/dbraw/zinc/38/07/57/781380757.db2.gz RTBNICFTGYDPKN-NSHDSACASA-N 1 1 319.431 -2.503 20 0 DAADMO C[C@H](NCCCNC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001171205002 781381393 /nfs/dbraw/zinc/38/13/93/781381393.db2.gz KAUQDSGGJNEONZ-NSHDSACASA-N 1 1 313.406 -1.055 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(Br)CCC2)[C@H]2NCN[C@H]21 ZINC001144753640 781384623 /nfs/dbraw/zinc/38/46/23/781384623.db2.gz XCHSJINOHCWAMP-XLPZGREQSA-N 1 1 304.192 -1.177 20 0 DAADMO COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001144812203 781384918 /nfs/dbraw/zinc/38/49/18/781384918.db2.gz PDYPNAHCHJWTQV-DGORSVRFSA-N 1 1 311.386 -1.515 20 0 DAADMO COc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1O ZINC001144793821 781385073 /nfs/dbraw/zinc/38/50/73/781385073.db2.gz AOPORKAIYVFKDU-IHRRRGAJSA-N 1 1 307.354 -1.538 20 0 DAADMO COc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1O ZINC001144793823 781385189 /nfs/dbraw/zinc/38/51/89/781385189.db2.gz AOPORKAIYVFKDU-RDBSUJKOSA-N 1 1 307.354 -1.538 20 0 DAADMO CSCC[C@H](NC(C)=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001144865476 781386835 /nfs/dbraw/zinc/38/68/35/781386835.db2.gz AKNOISNLMQWCQJ-XWLWVQCSSA-N 1 1 316.431 -2.237 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001091288990 781386962 /nfs/dbraw/zinc/38/69/62/781386962.db2.gz HDBYGHLXSUUEBB-UHFFFAOYSA-N 1 1 307.358 -1.072 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001091288990 781386968 /nfs/dbraw/zinc/38/69/68/781386968.db2.gz HDBYGHLXSUUEBB-UHFFFAOYSA-N 1 1 307.358 -1.072 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001171230567 781387242 /nfs/dbraw/zinc/38/72/42/781387242.db2.gz OPTWHIPOZNIPQY-NWDGAFQWSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001171230567 781387248 /nfs/dbraw/zinc/38/72/48/781387248.db2.gz OPTWHIPOZNIPQY-NWDGAFQWSA-N 1 1 310.416 -1.383 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001091289609 781387509 /nfs/dbraw/zinc/38/75/09/781387509.db2.gz XDEWCKVIFZSGNZ-UHFFFAOYSA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001091289609 781387520 /nfs/dbraw/zinc/38/75/20/781387520.db2.gz XDEWCKVIFZSGNZ-UHFFFAOYSA-N 1 1 321.341 -1.546 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171231060 781387697 /nfs/dbraw/zinc/38/76/97/781387697.db2.gz OPTWHIPOZNIPQY-VXGBXAGGSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171231060 781387708 /nfs/dbraw/zinc/38/77/08/781387708.db2.gz OPTWHIPOZNIPQY-VXGBXAGGSA-N 1 1 310.416 -1.383 20 0 DAADMO O=C(NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001091288342 781388298 /nfs/dbraw/zinc/38/82/98/781388298.db2.gz NMFXJHFTXYKHOA-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001091288342 781388302 /nfs/dbraw/zinc/38/83/02/781388302.db2.gz NMFXJHFTXYKHOA-AMDVSUOASA-N 1 1 306.326 -1.292 20 0 DAADMO NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001091325056 781388863 /nfs/dbraw/zinc/38/88/63/781388863.db2.gz ZMZRNGMEVJQAPK-HWOCKDDLSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001091325056 781388870 /nfs/dbraw/zinc/38/88/70/781388870.db2.gz ZMZRNGMEVJQAPK-HWOCKDDLSA-N 1 1 306.370 -1.121 20 0 DAADMO O=C(C(=O)N1CC[NH+]2CCC1CC2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899669 781393081 /nfs/dbraw/zinc/39/30/81/781393081.db2.gz MLYLHISTSLYRAW-GMTAPVOTSA-N 1 1 302.327 -3.063 20 0 DAADMO CC(C)(C)[NH+]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144899366 781393184 /nfs/dbraw/zinc/39/31/84/781393184.db2.gz JMEXZRRPOBCMHI-HBNTYKKESA-N 1 1 318.370 -2.427 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001144900810 781393882 /nfs/dbraw/zinc/39/38/82/781393882.db2.gz UYQUJDBLZAQOIH-IYKVGLELSA-N 1 1 316.354 -2.817 20 0 DAADMO C[N@H+]1CCC[C@](C)(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144908064 781400994 /nfs/dbraw/zinc/40/09/94/781400994.db2.gz RKOPIYMWTHMBLH-COMAGPEQSA-N 1 1 304.343 -2.769 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262005 781406936 /nfs/dbraw/zinc/40/69/36/781406936.db2.gz ZEYLBAUUQPGSMK-HUXSOILUSA-N 1 1 319.321 -1.206 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091467549 781408519 /nfs/dbraw/zinc/40/85/19/781408519.db2.gz WFRAFPIIZVPWQT-GYSYKLTISA-N 1 1 321.385 -1.412 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091467903 781408714 /nfs/dbraw/zinc/40/87/14/781408714.db2.gz DODUXXKHFSDSBE-SUNKGSAMSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnnn3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091466642 781409007 /nfs/dbraw/zinc/40/90/07/781409007.db2.gz BJQYUFQAJOKPRO-GYSYKLTISA-N 1 1 319.369 -1.658 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091466924 781409043 /nfs/dbraw/zinc/40/90/43/781409043.db2.gz JEEXKZUDDYULGB-BREBYQMCSA-N 1 1 307.358 -1.673 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091467902 781409209 /nfs/dbraw/zinc/40/92/09/781409209.db2.gz DODUXXKHFSDSBE-GYSYKLTISA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@]12CN(C(=O)CCn3cncn3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091490949 781409249 /nfs/dbraw/zinc/40/92/49/781409249.db2.gz DBGKISKSRZSZPO-RISCZKNCSA-N 1 1 306.370 -1.066 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146191548 781410095 /nfs/dbraw/zinc/41/00/95/781410095.db2.gz VJZRBHVFMKSYTR-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)COCc2ncnn2C)n1 ZINC001146190798 781410108 /nfs/dbraw/zinc/41/01/08/781410108.db2.gz MRQQEUPXXBBKRZ-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)COCc2ncnn2C)nn1 ZINC001146190576 781410271 /nfs/dbraw/zinc/41/02/71/781410271.db2.gz HKPKSBSAWMIBCU-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1ncnn1C)c1nncn1C ZINC001146201204 781410885 /nfs/dbraw/zinc/41/08/85/781410885.db2.gz XFKLPRNURUTWPT-SNVBAGLBSA-N 1 1 322.373 -1.073 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)COCc2nncn2C)n1 ZINC001146207655 781411463 /nfs/dbraw/zinc/41/14/63/781411463.db2.gz FKXJQPLZIJUVFY-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCNC(N)=O ZINC001146224663 781412907 /nfs/dbraw/zinc/41/29/07/781412907.db2.gz IFSRPOUTUVVOIU-DTWKUNHWSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091554803 781413965 /nfs/dbraw/zinc/41/39/65/781413965.db2.gz BSINBBUIOAKPFY-ABAIWWIYSA-N 1 1 323.397 -1.333 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565708 781414977 /nfs/dbraw/zinc/41/49/77/781414977.db2.gz VVZLBZKOMQONAK-XUJVJEKNSA-N 1 1 310.398 -1.417 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099879337 781415185 /nfs/dbraw/zinc/41/51/85/781415185.db2.gz IVQWBHUPCUZDQD-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO C[N@@H+](C1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1)[C@H]1CCOC1 ZINC001146627026 781418908 /nfs/dbraw/zinc/41/89/08/781418908.db2.gz MDNHVFYTRYROEW-IGHBBLSQSA-N 1 1 312.366 -1.669 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660951 781419149 /nfs/dbraw/zinc/41/91/49/781419149.db2.gz LMAWHRBKAPLSKY-UHFFFAOYSA-N 1 1 322.369 -1.044 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001146913877 781421274 /nfs/dbraw/zinc/42/12/74/781421274.db2.gz GUQGDPQILDZAPD-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001146913877 781421275 /nfs/dbraw/zinc/42/12/75/781421275.db2.gz GUQGDPQILDZAPD-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001146902123 781421988 /nfs/dbraw/zinc/42/19/88/781421988.db2.gz ILFCZMPZKKUFLO-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)nn1 ZINC001146878837 781422119 /nfs/dbraw/zinc/42/21/19/781422119.db2.gz MXEHSCNWZMJOHS-UHFFFAOYSA-N 1 1 309.330 -2.037 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCC(=O)NC1=O)c1nnnn1C ZINC001146878979 781422295 /nfs/dbraw/zinc/42/22/95/781422295.db2.gz ONSBCGQQSXMNGU-MRVPVSSYSA-N 1 1 324.345 -2.081 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)nn1 ZINC001146878786 781423079 /nfs/dbraw/zinc/42/30/79/781423079.db2.gz KLTNCTSVWMWQCB-UHFFFAOYSA-N 1 1 323.357 -1.554 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146950904 781424155 /nfs/dbraw/zinc/42/41/55/781424155.db2.gz IPFFGSPGIVCROO-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001146934113 781425134 /nfs/dbraw/zinc/42/51/34/781425134.db2.gz PUHXAYBDKHUSDI-SNVBAGLBSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001146934113 781425141 /nfs/dbraw/zinc/42/51/41/781425141.db2.gz PUHXAYBDKHUSDI-SNVBAGLBSA-N 1 1 310.354 -1.105 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001146984588 781426278 /nfs/dbraw/zinc/42/62/78/781426278.db2.gz BYFUMAODWKBHQL-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001146999901 781426529 /nfs/dbraw/zinc/42/65/29/781426529.db2.gz PDHJYCVRMGNJHF-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)cn1 ZINC001146965948 781426677 /nfs/dbraw/zinc/42/66/77/781426677.db2.gz QUMJPTHKKFAXME-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)cn1 ZINC001146965948 781426684 /nfs/dbraw/zinc/42/66/84/781426684.db2.gz QUMJPTHKKFAXME-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001146999783 781426802 /nfs/dbraw/zinc/42/68/02/781426802.db2.gz OEGSRADGECMWKS-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001146965417 781426828 /nfs/dbraw/zinc/42/68/28/781426828.db2.gz HZMNSEJRSAPXNF-UHFFFAOYSA-N 1 1 310.358 -1.784 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146998899 781427292 /nfs/dbraw/zinc/42/72/92/781427292.db2.gz CLQFKOYBIRXGBK-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146998899 781427298 /nfs/dbraw/zinc/42/72/98/781427298.db2.gz CLQFKOYBIRXGBK-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147000115 781427443 /nfs/dbraw/zinc/42/74/43/781427443.db2.gz VPQNKWJZGYBEPW-SNVBAGLBSA-N 1 1 300.359 -1.804 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147016729 781428370 /nfs/dbraw/zinc/42/83/70/781428370.db2.gz VXHWDDIPRWXTEL-VIFPVBQESA-N 1 1 321.345 -1.717 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cn([C@@H]3CCOC3)nn2)nn1 ZINC001147014535 781429240 /nfs/dbraw/zinc/42/92/40/781429240.db2.gz IJOXKSIMCMFZHA-LLVKDONJSA-N 1 1 320.357 -1.112 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cn([C@@H]3CCOC3)nn2)n1 ZINC001147013482 781429481 /nfs/dbraw/zinc/42/94/81/781429481.db2.gz AXYIWQJZZMEWSC-LLVKDONJSA-N 1 1 320.357 -1.112 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974541 781429777 /nfs/dbraw/zinc/42/97/77/781429777.db2.gz RLYFFPTZQMNGLZ-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147005340 781429804 /nfs/dbraw/zinc/42/98/04/781429804.db2.gz FDENILGUFKCZFM-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001147031122 781430306 /nfs/dbraw/zinc/43/03/06/781430306.db2.gz GRKJOHVWQORLGM-STQMWFEESA-N 1 1 314.382 -1.057 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnsn3)C2)C1 ZINC001147057016 781430741 /nfs/dbraw/zinc/43/07/41/781430741.db2.gz UFPGNSRVLBCIHK-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnsn3)C2)C1 ZINC001147057016 781430743 /nfs/dbraw/zinc/43/07/43/781430743.db2.gz UFPGNSRVLBCIHK-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO O=C([C@H]1COCCO1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147025793 781431691 /nfs/dbraw/zinc/43/16/91/781431691.db2.gz DNBFMFHZJCRLIU-CYBMUJFWSA-N 1 1 314.382 -1.055 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@]2(C)C1 ZINC001091611979 781431892 /nfs/dbraw/zinc/43/18/92/781431892.db2.gz KCSBTQUHRDBTAR-IOASZLSFSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CC(=O)NCC1CC1)c1nnnn1C ZINC001147085355 781431913 /nfs/dbraw/zinc/43/19/13/781431913.db2.gz YEUWWGWBZKOUPG-SECBINFHSA-N 1 1 309.374 -1.107 20 0 DAADMO COC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001147083071 781432344 /nfs/dbraw/zinc/43/23/44/781432344.db2.gz OFOVMOWRALXKFQ-UHFFFAOYSA-N 1 1 312.370 -1.035 20 0 DAADMO COCCCOCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001147064108 781432687 /nfs/dbraw/zinc/43/26/87/781432687.db2.gz JAIMSFCKUZMRKN-UHFFFAOYSA-N 1 1 300.363 -1.141 20 0 DAADMO Cn1nccc1C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123440 781432828 /nfs/dbraw/zinc/43/28/28/781432828.db2.gz DYZHAWMXPXJEJI-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1nccc1C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123440 781432830 /nfs/dbraw/zinc/43/28/30/781432830.db2.gz DYZHAWMXPXJEJI-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001149426669 781433280 /nfs/dbraw/zinc/43/32/80/781433280.db2.gz DPWHPEQJAKEPCD-UHFFFAOYSA-N 1 1 305.364 -2.693 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147072001 781433423 /nfs/dbraw/zinc/43/34/23/781433423.db2.gz VAAJKXHRGTUMDL-GFCCVEGCSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147187178 781435381 /nfs/dbraw/zinc/43/53/81/781435381.db2.gz HKQRAVHXZSNVDO-GFCCVEGCSA-N 1 1 311.382 -1.192 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099887215 781435638 /nfs/dbraw/zinc/43/56/38/781435638.db2.gz ANYQKYNWNCCOHD-MNOVXSKESA-N 1 1 317.386 -1.942 20 0 DAADMO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001147277587 781436715 /nfs/dbraw/zinc/43/67/15/781436715.db2.gz KNKOXFASNDNKBG-UHFFFAOYSA-N 1 1 315.399 -1.122 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001147271906 781436953 /nfs/dbraw/zinc/43/69/53/781436953.db2.gz XHHGFXUJXRJZHE-VIFPVBQESA-N 1 1 324.341 -2.437 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001147298868 781437011 /nfs/dbraw/zinc/43/70/11/781437011.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001147298868 781437014 /nfs/dbraw/zinc/43/70/14/781437014.db2.gz YBKPSPRXQDMPIU-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001147277840 781437104 /nfs/dbraw/zinc/43/71/04/781437104.db2.gz NNSCRXDSRCDWFX-UHFFFAOYSA-N 1 1 315.399 -1.122 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC(=O)NC1CC1 ZINC001147272092 781437670 /nfs/dbraw/zinc/43/76/70/781437670.db2.gz ZZNRXOOGALUTTJ-MRVPVSSYSA-N 1 1 323.357 -1.570 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147267403 781437724 /nfs/dbraw/zinc/43/77/24/781437724.db2.gz MRCFFAZXCMKKED-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147267403 781437730 /nfs/dbraw/zinc/43/77/30/781437730.db2.gz MRCFFAZXCMKKED-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147358237 781438788 /nfs/dbraw/zinc/43/87/88/781438788.db2.gz CTBMTDSKENQFPZ-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O)c1nnnn1C ZINC001147321570 781439954 /nfs/dbraw/zinc/43/99/54/781439954.db2.gz PNPPKCQDYSTLNQ-UWVGGRQHSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001147422204 781440854 /nfs/dbraw/zinc/44/08/54/781440854.db2.gz FDRZMHROMDPRNI-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001147422204 781440859 /nfs/dbraw/zinc/44/08/59/781440859.db2.gz FDRZMHROMDPRNI-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001147451165 781442531 /nfs/dbraw/zinc/44/25/31/781442531.db2.gz QSYSBJIHCLJKRY-SNVBAGLBSA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147422231 781442978 /nfs/dbraw/zinc/44/29/78/781442978.db2.gz GGSDLJATULOSST-VHSXEESVSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001147422746 781443002 /nfs/dbraw/zinc/44/30/02/781443002.db2.gz XZKLWVSITRJIRZ-JTQLQIEISA-N 1 1 321.385 -1.094 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001147422746 781443010 /nfs/dbraw/zinc/44/30/10/781443010.db2.gz XZKLWVSITRJIRZ-JTQLQIEISA-N 1 1 321.385 -1.094 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001147475686 781443190 /nfs/dbraw/zinc/44/31/90/781443190.db2.gz IXDIFUVPWHXICF-LLVKDONJSA-N 1 1 309.370 -1.030 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3cnnn3C)C2)C1 ZINC001147455078 781443684 /nfs/dbraw/zinc/44/36/84/781443684.db2.gz BTJZUKSERKHEHA-LLVKDONJSA-N 1 1 309.370 -1.030 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147446607 781443873 /nfs/dbraw/zinc/44/38/73/781443873.db2.gz VOBJCSIRTLQNFR-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147446607 781443879 /nfs/dbraw/zinc/44/38/79/781443879.db2.gz VOBJCSIRTLQNFR-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001149431732 781445019 /nfs/dbraw/zinc/44/50/19/781445019.db2.gz CAWAEWDOTMOKSV-QMMMGPOBSA-N 1 1 318.403 -1.229 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455910 781446023 /nfs/dbraw/zinc/44/60/23/781446023.db2.gz YWSZJVBEMGJTHP-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455910 781446028 /nfs/dbraw/zinc/44/60/28/781446028.db2.gz YWSZJVBEMGJTHP-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147567333 781446887 /nfs/dbraw/zinc/44/68/87/781446887.db2.gz VLFHNKGJFMZNMU-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147567333 781446890 /nfs/dbraw/zinc/44/68/90/781446890.db2.gz VLFHNKGJFMZNMU-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001147643997 781449352 /nfs/dbraw/zinc/44/93/52/781449352.db2.gz CPCFOSHQLVICOF-QMMMGPOBSA-N 1 1 323.357 -1.226 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O)c1nncn1C ZINC001147645427 781449686 /nfs/dbraw/zinc/44/96/86/781449686.db2.gz UORMYMUTRDOFPV-SECBINFHSA-N 1 1 323.357 -1.524 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001147670760 781450627 /nfs/dbraw/zinc/45/06/27/781450627.db2.gz ZXEIPTWYINPTFE-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147669673 781450711 /nfs/dbraw/zinc/45/07/11/781450711.db2.gz JAWAYGMFCZCNHW-UHFFFAOYSA-N 1 1 314.386 -1.541 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147665837 781450863 /nfs/dbraw/zinc/45/08/63/781450863.db2.gz TYXYFLAJLXOUFJ-UHFFFAOYSA-N 1 1 305.400 -1.548 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001147665405 781451246 /nfs/dbraw/zinc/45/12/46/781451246.db2.gz ITUNHOXJMOAKPK-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001147670883 781451633 /nfs/dbraw/zinc/45/16/33/781451633.db2.gz AUBRAXVMAIGDCZ-SECBINFHSA-N 1 1 304.358 -1.056 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147658486 781451715 /nfs/dbraw/zinc/45/17/15/781451715.db2.gz TUGBGFYYVVNULK-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147658486 781451721 /nfs/dbraw/zinc/45/17/21/781451721.db2.gz TUGBGFYYVVNULK-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)S(C)(=O)=O ZINC001147665956 781451733 /nfs/dbraw/zinc/45/17/33/781451733.db2.gz YHLRSOUKJJWSBL-UHFFFAOYSA-N 1 1 305.400 -1.596 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147658706 781451751 /nfs/dbraw/zinc/45/17/51/781451751.db2.gz YCCQLSYHPUAUDO-UHFFFAOYSA-N 1 1 305.400 -1.548 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001147645456 781451817 /nfs/dbraw/zinc/45/18/17/781451817.db2.gz VPYYOUPARPVEID-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147686810 781452037 /nfs/dbraw/zinc/45/20/37/781452037.db2.gz ATLJZCLLJPPONQ-SCZZXKLOSA-N 1 1 320.353 -1.579 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147686810 781452043 /nfs/dbraw/zinc/45/20/43/781452043.db2.gz ATLJZCLLJPPONQ-SCZZXKLOSA-N 1 1 320.353 -1.579 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001147650464 781453020 /nfs/dbraw/zinc/45/30/20/781453020.db2.gz ORMFQJUXOAAKFO-UHFFFAOYSA-N 1 1 317.313 -1.522 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147688735 781453662 /nfs/dbraw/zinc/45/36/62/781453662.db2.gz QBMJRWYXUHKCHJ-MRVPVSSYSA-N 1 1 323.357 -1.929 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147687906 781453771 /nfs/dbraw/zinc/45/37/71/781453771.db2.gz HTHQDERWVQKAFJ-ZETCQYMHSA-N 1 1 309.330 -2.190 20 0 DAADMO CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCc3[nH]nnc3C2)C1=O ZINC001147699407 781454245 /nfs/dbraw/zinc/45/42/45/781454245.db2.gz LHTKBMUHZIQKFB-GXSJLCMTSA-N 1 1 306.370 -1.154 20 0 DAADMO CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCc3nn[nH]c3C2)C1=O ZINC001147699407 781454252 /nfs/dbraw/zinc/45/42/52/781454252.db2.gz LHTKBMUHZIQKFB-GXSJLCMTSA-N 1 1 306.370 -1.154 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847363 781458331 /nfs/dbraw/zinc/45/83/31/781458331.db2.gz YTIBJZICCSIKBY-QMMMGPOBSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847363 781458339 /nfs/dbraw/zinc/45/83/39/781458339.db2.gz YTIBJZICCSIKBY-QMMMGPOBSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847362 781458389 /nfs/dbraw/zinc/45/83/89/781458389.db2.gz YTIBJZICCSIKBY-MRVPVSSYSA-N 1 1 321.341 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001147847362 781458397 /nfs/dbraw/zinc/45/83/97/781458397.db2.gz YTIBJZICCSIKBY-MRVPVSSYSA-N 1 1 321.341 -1.464 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001147972334 781460206 /nfs/dbraw/zinc/46/02/06/781460206.db2.gz NFFYALUSQLBAAP-UHFFFAOYSA-N 1 1 316.427 -1.016 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148017436 781460802 /nfs/dbraw/zinc/46/08/02/781460802.db2.gz NXEQJPLOQQNOHM-UHFFFAOYSA-N 1 1 321.341 -1.544 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148017436 781460805 /nfs/dbraw/zinc/46/08/05/781460805.db2.gz NXEQJPLOQQNOHM-UHFFFAOYSA-N 1 1 321.341 -1.544 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCCF)C2 ZINC001147972067 781461263 /nfs/dbraw/zinc/46/12/63/781461263.db2.gz GFRQBSQOBUZCBW-UHFFFAOYSA-N 1 1 322.406 -1.066 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3csnn3)C2)C1 ZINC001147998037 781461453 /nfs/dbraw/zinc/46/14/53/781461453.db2.gz WSPHKZLLTJHEKE-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3csnn3)C2)C1 ZINC001147998037 781461461 /nfs/dbraw/zinc/46/14/61/781461461.db2.gz WSPHKZLLTJHEKE-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](C(C)C)C2 ZINC001147972380 781461539 /nfs/dbraw/zinc/46/15/39/781461539.db2.gz PGDGCFPDNNBDIG-UHFFFAOYSA-N 1 1 304.416 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052820 781462272 /nfs/dbraw/zinc/46/22/72/781462272.db2.gz IKHWRDIFJJFWRX-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052820 781462275 /nfs/dbraw/zinc/46/22/75/781462275.db2.gz IKHWRDIFJJFWRX-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148032283 781463276 /nfs/dbraw/zinc/46/32/76/781463276.db2.gz HMURYZUCMHDWDI-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001148094743 781463392 /nfs/dbraw/zinc/46/33/92/781463392.db2.gz ALFZRFBKAXLRPK-IAZYJMLFSA-N 1 1 322.365 -1.392 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001148094743 781463397 /nfs/dbraw/zinc/46/33/97/781463397.db2.gz ALFZRFBKAXLRPK-IAZYJMLFSA-N 1 1 322.365 -1.392 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675364 781464564 /nfs/dbraw/zinc/46/45/64/781464564.db2.gz PXIVPVPEKVNICS-BREBYQMCSA-N 1 1 307.358 -1.673 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148168020 781464926 /nfs/dbraw/zinc/46/49/26/781464926.db2.gz NIDXWMOZKRTLJG-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148168416 781465569 /nfs/dbraw/zinc/46/55/69/781465569.db2.gz RRZCGYUUKBCLAT-LLVKDONJSA-N 1 1 312.370 -1.789 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)C1CC1 ZINC001148180988 781466657 /nfs/dbraw/zinc/46/66/57/781466657.db2.gz GJNLZKVTSUJVSJ-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)C1CC1 ZINC001148180988 781466661 /nfs/dbraw/zinc/46/66/61/781466661.db2.gz GJNLZKVTSUJVSJ-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148181767 781467304 /nfs/dbraw/zinc/46/73/04/781467304.db2.gz STGRLCXNLTWDSZ-NSHDSACASA-N 1 1 315.370 -1.970 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001091703739 781468190 /nfs/dbraw/zinc/46/81/90/781468190.db2.gz PEKVKMWJKLEXQX-GYSYKLTISA-N 1 1 306.370 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001091703680 781468422 /nfs/dbraw/zinc/46/84/22/781468422.db2.gz MEXWXXYLINTQTQ-RISCZKNCSA-N 1 1 306.370 -1.196 20 0 DAADMO Cn1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)CNC(N)=O)C2)cn1 ZINC001149126093 781468832 /nfs/dbraw/zinc/46/88/32/781468832.db2.gz YWFSQPGLIDVTAT-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1cc(C[N@H+]2CCCO[C@@H](CNC(=O)CNC(N)=O)C2)cn1 ZINC001149126093 781468836 /nfs/dbraw/zinc/46/88/36/781468836.db2.gz YWFSQPGLIDVTAT-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO CC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894103 781468931 /nfs/dbraw/zinc/46/89/31/781468931.db2.gz FDWJCSMUJXSSKD-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@H](O)C1 ZINC001099894103 781468936 /nfs/dbraw/zinc/46/89/36/781468936.db2.gz FDWJCSMUJXSSKD-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)O)C2 ZINC001148352044 781469860 /nfs/dbraw/zinc/46/98/60/781469860.db2.gz YQESPFQCNGDYJS-WDEREUQCSA-N 1 1 319.427 -1.161 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099894475 781469949 /nfs/dbraw/zinc/46/99/49/781469949.db2.gz LJWPWUIBZDJUIZ-WDEREUQCSA-N 1 1 308.400 -1.645 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099894475 781469955 /nfs/dbraw/zinc/46/99/55/781469955.db2.gz LJWPWUIBZDJUIZ-WDEREUQCSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)C1 ZINC001148352041 781470002 /nfs/dbraw/zinc/47/00/02/781470002.db2.gz YQESPFQCNGDYJS-GHMZBOCLSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148351752 781470056 /nfs/dbraw/zinc/47/00/56/781470056.db2.gz OIGOTIWNTVVNBF-VIFPVBQESA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148351752 781470061 /nfs/dbraw/zinc/47/00/61/781470061.db2.gz OIGOTIWNTVVNBF-VIFPVBQESA-N 1 1 318.399 -2.056 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)C(N)=O ZINC001148390879 781470880 /nfs/dbraw/zinc/47/08/80/781470880.db2.gz LSNAGVBRFFAWMV-NSHDSACASA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148351899 781471143 /nfs/dbraw/zinc/47/11/43/781471143.db2.gz RMXDPTKGTDWVSD-SNVBAGLBSA-N 1 1 305.400 -1.549 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148402285 781471811 /nfs/dbraw/zinc/47/18/11/781471811.db2.gz JWHFSAKXGVYCAM-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC001148430576 781472480 /nfs/dbraw/zinc/47/24/80/781472480.db2.gz PNOPLQIOLOYHQU-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001148430667 781472503 /nfs/dbraw/zinc/47/25/03/781472503.db2.gz UHKNWUKQXHCQMO-LLVKDONJSA-N 1 1 309.370 -1.030 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894693 781473493 /nfs/dbraw/zinc/47/34/93/781473493.db2.gz OSVNRJDJEHAGIR-MNOVXSKESA-N 1 1 300.359 -2.190 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148524777 781473806 /nfs/dbraw/zinc/47/38/06/781473806.db2.gz TYIZLLDUHMLINJ-UHFFFAOYSA-N 1 1 322.369 -1.649 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148524777 781473807 /nfs/dbraw/zinc/47/38/07/781473807.db2.gz TYIZLLDUHMLINJ-UHFFFAOYSA-N 1 1 322.369 -1.649 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2cn(C)nn2)n1 ZINC001148557559 781473839 /nfs/dbraw/zinc/47/38/39/781473839.db2.gz UNRZCNRUIYCVRQ-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ncccn3)C2)C1 ZINC001148476927 781474350 /nfs/dbraw/zinc/47/43/50/781474350.db2.gz BAFVJVTWGVHGHY-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ncccn3)C2)C1 ZINC001148476927 781474360 /nfs/dbraw/zinc/47/43/60/781474360.db2.gz BAFVJVTWGVHGHY-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)C1 ZINC001148562534 781474437 /nfs/dbraw/zinc/47/44/37/781474437.db2.gz LQBKIADUYAXMHB-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148471813 781474600 /nfs/dbraw/zinc/47/46/00/781474600.db2.gz RNADSYKNEQKESO-MRVPVSSYSA-N 1 1 322.325 -1.199 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148471813 781474606 /nfs/dbraw/zinc/47/46/06/781474606.db2.gz RNADSYKNEQKESO-MRVPVSSYSA-N 1 1 322.325 -1.199 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148469894 781474771 /nfs/dbraw/zinc/47/47/71/781474771.db2.gz ZPJXIZKMCSUFMF-UHFFFAOYSA-N 1 1 308.298 -1.588 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001148469894 781474774 /nfs/dbraw/zinc/47/47/74/781474774.db2.gz ZPJXIZKMCSUFMF-UHFFFAOYSA-N 1 1 308.298 -1.588 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148520040 781474907 /nfs/dbraw/zinc/47/49/07/781474907.db2.gz RBBBXUCWHODKAJ-UHFFFAOYSA-N 1 1 309.370 -1.142 20 0 DAADMO CN(C)C(=O)C1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1 ZINC001148591369 781475999 /nfs/dbraw/zinc/47/59/99/781475999.db2.gz RYHZBIRSADDRDY-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO CN(C)C(=O)C1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1 ZINC001148591369 781476003 /nfs/dbraw/zinc/47/60/03/781476003.db2.gz RYHZBIRSADDRDY-UHFFFAOYSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091734468 781476034 /nfs/dbraw/zinc/47/60/34/781476034.db2.gz VKVKBPPXZMQWML-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148691097 781476569 /nfs/dbraw/zinc/47/65/69/781476569.db2.gz RXQDCNIOXDYYLI-UHFFFAOYSA-N 1 1 318.399 -2.103 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148691097 781476572 /nfs/dbraw/zinc/47/65/72/781476572.db2.gz RXQDCNIOXDYYLI-UHFFFAOYSA-N 1 1 318.399 -2.103 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091748814 781477686 /nfs/dbraw/zinc/47/76/86/781477686.db2.gz WQVTWZVADQLFLQ-ITMYJUKJSA-N 1 1 323.353 -2.150 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(N)=O)C2 ZINC001148783451 781478071 /nfs/dbraw/zinc/47/80/71/781478071.db2.gz GULZPTLRDQGSOK-SECBINFHSA-N 1 1 318.399 -2.056 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+](CCN2CCNC2=O)CCCO1 ZINC001149001572 781481233 /nfs/dbraw/zinc/48/12/33/781481233.db2.gz BIPNTGOEXGKOLJ-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091766027 781486467 /nfs/dbraw/zinc/48/64/67/781486467.db2.gz GSGLYXZFWXDOPF-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971406 781486555 /nfs/dbraw/zinc/48/65/55/781486555.db2.gz CDOLKEBMSNGMIN-FCHSOHFDSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)CC1=O ZINC001091799852 781486777 /nfs/dbraw/zinc/48/67/77/781486777.db2.gz GUBDFSLNJSYOHW-CJNGLKHVSA-N 1 1 324.425 -1.467 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091919467 781486799 /nfs/dbraw/zinc/48/67/99/781486799.db2.gz ACTDHVFZAZXISN-ZETOZRRWSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)NC1=O ZINC001091917028 781486988 /nfs/dbraw/zinc/48/69/88/781486988.db2.gz QODNDDCUPQMJKM-BFVZDQMLSA-N 1 1 309.370 -1.724 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001091966839 781487252 /nfs/dbraw/zinc/48/72/52/781487252.db2.gz JCKJPGWZBHAQAJ-BFVZDQMLSA-N 1 1 309.370 -1.806 20 0 DAADMO C[C@]1(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)CNC(=O)C1 ZINC001091875231 781487282 /nfs/dbraw/zinc/48/72/82/781487282.db2.gz FFOUFBZZGSIRRM-KMUNFCNLSA-N 1 1 308.382 -1.222 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901484 781487535 /nfs/dbraw/zinc/48/75/35/781487535.db2.gz JWRQNPVAZHLVRL-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001092020295 781488562 /nfs/dbraw/zinc/48/85/62/781488562.db2.gz QEUQLCXKDOSGIA-YMEQNVIZSA-N 1 1 322.409 -1.024 20 0 DAADMO C[C@]12CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092008325 781488641 /nfs/dbraw/zinc/48/86/41/781488641.db2.gz HNSZHLGGYNDZDJ-WKPIXPDZSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001091968715 781489541 /nfs/dbraw/zinc/48/95/41/781489541.db2.gz VENCAWKHEGPJPN-SKDRFNHKSA-N 1 1 303.384 -1.703 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001091968715 781489545 /nfs/dbraw/zinc/48/95/45/781489545.db2.gz VENCAWKHEGPJPN-SKDRFNHKSA-N 1 1 303.384 -1.703 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092055648 781489592 /nfs/dbraw/zinc/48/95/92/781489592.db2.gz RUZCIQXNTNWOOB-ITMYJUKJSA-N 1 1 323.353 -2.150 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC001092260168 781495449 /nfs/dbraw/zinc/49/54/49/781495449.db2.gz OOFPZDHLRHBLTC-HFAKWTLXSA-N 1 1 324.381 -1.301 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001092286948 781495670 /nfs/dbraw/zinc/49/56/70/781495670.db2.gz PWFQBILCSXFFTK-WWGRRREGSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CNC3=O)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092260643 781496911 /nfs/dbraw/zinc/49/69/11/781496911.db2.gz YSPGASOJOHZCFI-ABAIWWIYSA-N 1 1 324.381 -1.299 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092260269 781497197 /nfs/dbraw/zinc/49/71/97/781497197.db2.gz ROXKSFVGVUVFSB-OTYXRUKQSA-N 1 1 323.353 -2.196 20 0 DAADMO CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001092393432 781497660 /nfs/dbraw/zinc/49/76/60/781497660.db2.gz IHAOYKWWHIRUGA-ZJUUUORDSA-N 1 1 307.354 -1.025 20 0 DAADMO CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001092393426 781497713 /nfs/dbraw/zinc/49/77/13/781497713.db2.gz IHAOYKWWHIRUGA-UWVGGRQHSA-N 1 1 307.354 -1.025 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CNC(=O)N1 ZINC001092390885 781497847 /nfs/dbraw/zinc/49/78/47/781497847.db2.gz IIXDDQZWZARFKK-ZJUUUORDSA-N 1 1 320.353 -1.871 20 0 DAADMO COC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001092392350 781497856 /nfs/dbraw/zinc/49/78/56/781497856.db2.gz FGPUUSAFPPGBIB-VHSXEESVSA-N 1 1 307.354 -1.025 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092366976 781497878 /nfs/dbraw/zinc/49/78/78/781497878.db2.gz YZMMZYAKIWDOJV-JTQLQIEISA-N 1 1 317.353 -1.110 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092401544 781498579 /nfs/dbraw/zinc/49/85/79/781498579.db2.gz BUSIDDRACPJAST-SNVBAGLBSA-N 1 1 317.353 -1.110 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CCNC1=O ZINC001092384468 781498698 /nfs/dbraw/zinc/49/86/98/781498698.db2.gz IPUQYFSHRTWETO-WDEREUQCSA-N 1 1 319.365 -1.417 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001092754102 781500013 /nfs/dbraw/zinc/50/00/13/781500013.db2.gz ILPRXDCRUFHAGB-UPJWGTAASA-N 1 1 312.414 -1.124 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001092699384 781500447 /nfs/dbraw/zinc/50/04/47/781500447.db2.gz JGRWNFTXXBTTSN-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H](C)C1 ZINC001092537002 781500891 /nfs/dbraw/zinc/50/08/91/781500891.db2.gz SFCLAUBBERRDAZ-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC001092841255 781502151 /nfs/dbraw/zinc/50/21/51/781502151.db2.gz IFFHIRVBFNQABZ-GHMZBOCLSA-N 1 1 321.381 -1.176 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893582 781502974 /nfs/dbraw/zinc/50/29/74/781502974.db2.gz UJPJKXWWDMJDRQ-MXWKQRLJSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927780 781503055 /nfs/dbraw/zinc/50/30/55/781503055.db2.gz BARRXNUHFBSFBO-UTUOFQBUSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149681853 781503218 /nfs/dbraw/zinc/50/32/18/781503218.db2.gz QVSIJLKLHPPPIY-LBPRGKRZSA-N 1 1 316.402 -1.105 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001092883885 781503274 /nfs/dbraw/zinc/50/32/74/781503274.db2.gz OQWLHZFBMJEDMS-IJLUTSLNSA-N 1 1 310.398 -1.105 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092894121 781503600 /nfs/dbraw/zinc/50/36/00/781503600.db2.gz QRNWFGLUYNCWGL-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092892755 781503772 /nfs/dbraw/zinc/50/37/72/781503772.db2.gz HEMBMLJCCNGVBX-NXEZZACHSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092892766 781503846 /nfs/dbraw/zinc/50/38/46/781503846.db2.gz HGNSMULKPDJUSA-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092892766 781503853 /nfs/dbraw/zinc/50/38/53/781503853.db2.gz HGNSMULKPDJUSA-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 ZINC001093049848 781504572 /nfs/dbraw/zinc/50/45/72/781504572.db2.gz YJCNCMBGAUPMCL-WCABBAIRSA-N 1 1 324.381 -1.403 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001093066039 781505287 /nfs/dbraw/zinc/50/52/87/781505287.db2.gz MZLDVUVHHQVJJK-NXEZZACHSA-N 1 1 317.353 -1.093 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927843 781505329 /nfs/dbraw/zinc/50/53/29/781505329.db2.gz CZZBEZVWWBYUKF-FOGDFJRCSA-N 1 1 323.397 -1.370 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001093213964 781508148 /nfs/dbraw/zinc/50/81/48/781508148.db2.gz JKYRSHSERMSSIO-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC001093224305 781508267 /nfs/dbraw/zinc/50/82/67/781508267.db2.gz PSWOMAWUNINIQL-OUAUKWLOSA-N 1 1 324.385 -1.558 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110145140 781513012 /nfs/dbraw/zinc/51/30/12/781513012.db2.gz JFYKAZUDXITUGL-WOPDTQHZSA-N 1 1 322.369 -1.892 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093747708 781520497 /nfs/dbraw/zinc/52/04/97/781520497.db2.gz BOMJDSCZZOPUAW-BBBLOLIVSA-N 1 1 323.357 -1.497 20 0 DAADMO CNC(=O)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098353450 781524637 /nfs/dbraw/zinc/52/46/37/781524637.db2.gz ZFGUZYJKWYFSCA-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115043619 781525291 /nfs/dbraw/zinc/52/52/91/781525291.db2.gz FMEHMTUQMDUYNW-YABSGUDNSA-N 1 1 309.370 -1.240 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094004771 781526557 /nfs/dbraw/zinc/52/65/57/781526557.db2.gz QARAJRCEGRNJEP-BBBLOLIVSA-N 1 1 322.373 -1.924 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCCNc1cc(C)[nH+]c(C)n1 ZINC001094254373 781535379 /nfs/dbraw/zinc/53/53/79/781535379.db2.gz KNXMJGRAAYBFKL-UHFFFAOYSA-N 1 1 322.369 -1.126 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CC3CC3)C2)nn1)[C@H]1CNC(=O)N1 ZINC001094315348 781538210 /nfs/dbraw/zinc/53/82/10/781538210.db2.gz JUPLJFVAGFEFJE-GFCCVEGCSA-N 1 1 319.369 -1.158 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CC3CC3)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001094315349 781538224 /nfs/dbraw/zinc/53/82/24/781538224.db2.gz JUPLJFVAGFEFJE-LBPRGKRZSA-N 1 1 319.369 -1.158 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001094309907 781538788 /nfs/dbraw/zinc/53/87/88/781538788.db2.gz WSZVRBQBQAHSKF-CABZTGNLSA-N 1 1 322.369 -1.732 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@@H]1COC(=O)N1 ZINC001094287239 781540307 /nfs/dbraw/zinc/54/03/07/781540307.db2.gz GIOKUPNCJAUYBO-NSHDSACASA-N 1 1 324.341 -1.758 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2cn(C3CN(CCO)C3)nn2)C1 ZINC001094338420 781543394 /nfs/dbraw/zinc/54/33/94/781543394.db2.gz HACCXQUQNVTWND-LLVKDONJSA-N 1 1 308.386 -1.305 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2cn(C3CN(CCO)C3)nn2)C1 ZINC001094338422 781543919 /nfs/dbraw/zinc/54/39/19/781543919.db2.gz HACCXQUQNVTWND-NSHDSACASA-N 1 1 308.386 -1.305 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001099934770 781544874 /nfs/dbraw/zinc/54/48/74/781544874.db2.gz BYFGOIFZZDUUIN-WDEREUQCSA-N 1 1 313.358 -2.484 20 0 DAADMO O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CC(=O)NC(=O)N1 ZINC001094525939 781544951 /nfs/dbraw/zinc/54/49/51/781544951.db2.gz KSTLMBRTKFELIR-FIXISWKDSA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCNC3=O)CCC[C@@H]12 ZINC001094488106 781545315 /nfs/dbraw/zinc/54/53/15/781545315.db2.gz NAUWNTZDBHZUHJ-FIXISWKDSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCNC3=O)CCC[C@@H]12 ZINC001094488107 781545477 /nfs/dbraw/zinc/54/54/77/781545477.db2.gz NAUWNTZDBHZUHJ-UEKVPHQBSA-N 1 1 308.382 -1.031 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001099935998 781547630 /nfs/dbraw/zinc/54/76/30/781547630.db2.gz YBBHDLYCDNFWOA-WDEREUQCSA-N 1 1 315.349 -1.507 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001099935998 781547638 /nfs/dbraw/zinc/54/76/38/781547638.db2.gz YBBHDLYCDNFWOA-WDEREUQCSA-N 1 1 315.349 -1.507 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]c3)CC2=O)C1 ZINC001094707885 781549772 /nfs/dbraw/zinc/54/97/72/781549772.db2.gz QKNHMMLKQIWXAW-KOLCDFICSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 ZINC001094712320 781550793 /nfs/dbraw/zinc/55/07/93/781550793.db2.gz VFHBSHNVPUJQRH-MNOVXSKESA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCOC1 ZINC001094713974 781552437 /nfs/dbraw/zinc/55/24/37/781552437.db2.gz NBDYWJMLBFVANE-VXGBXAGGSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 ZINC001094713755 781552967 /nfs/dbraw/zinc/55/29/67/781552967.db2.gz HDCPFYGIFNMBGZ-CMPLNLGQSA-N 1 1 322.365 -1.001 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)CC2=O)C1 ZINC001094720666 781553863 /nfs/dbraw/zinc/55/38/63/781553863.db2.gz OSNGQYSQRQOQKS-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)cn3)CC2=O)C1 ZINC001094721898 781554294 /nfs/dbraw/zinc/55/42/94/781554294.db2.gz MVJOKWJGHNVMTM-GHMZBOCLSA-N 1 1 321.381 -1.184 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001094690507 781556028 /nfs/dbraw/zinc/55/60/28/781556028.db2.gz UZNIHEYYYSYUKM-JSGCOSHPSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCCO1 ZINC001094700153 781557191 /nfs/dbraw/zinc/55/71/91/781557191.db2.gz BYWAAXOIYZPFBV-WCQYABFASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094701439 781558706 /nfs/dbraw/zinc/55/87/06/781558706.db2.gz PJLRVEZJZXKXMQ-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094706126 781559261 /nfs/dbraw/zinc/55/92/61/781559261.db2.gz WSMHMQGUJYHILJ-NEPJUHHUSA-N 1 1 321.381 -1.335 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3COCCN3C)CC2=O)C1 ZINC001094722895 781560131 /nfs/dbraw/zinc/56/01/31/781560131.db2.gz YSXGSYMZIPEGAX-AAEUAGOBSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 ZINC001094726015 781560388 /nfs/dbraw/zinc/56/03/88/781560388.db2.gz CJQNXHFPCTYQDH-PWSUYJOCSA-N 1 1 319.365 -1.128 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094759391 781560441 /nfs/dbraw/zinc/56/04/41/781560441.db2.gz IFLOXVYXWXOIBV-GFCCVEGCSA-N 1 1 321.381 -1.415 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094728704 781561294 /nfs/dbraw/zinc/56/12/94/781561294.db2.gz ZTCOVGNTCLGFDR-JTQLQIEISA-N 1 1 322.369 -1.205 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730036 781561577 /nfs/dbraw/zinc/56/15/77/781561577.db2.gz QBOMZKSQRIWARD-KOLCDFICSA-N 1 1 310.354 -1.096 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730208 781562243 /nfs/dbraw/zinc/56/22/43/781562243.db2.gz UVNOXAZQDPNCFM-KOLCDFICSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncc[nH]3)CC2=O)C1 ZINC001094733878 781563043 /nfs/dbraw/zinc/56/30/43/781563043.db2.gz OUWGUUNXYORHGZ-ZJUUUORDSA-N 1 1 307.354 -1.195 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C3CN(C(C)=O)C3)CC2=O)C1 ZINC001094732170 781563485 /nfs/dbraw/zinc/56/34/85/781563485.db2.gz ZBJQHCSQGIUXSC-LBPRGKRZSA-N 1 1 308.382 -1.114 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094736848 781564204 /nfs/dbraw/zinc/56/42/04/781564204.db2.gz OMIAEMVWYXVSLZ-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094737015 781565022 /nfs/dbraw/zinc/56/50/22/781565022.db2.gz QQJKNBIRPNZXEQ-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735494 781565165 /nfs/dbraw/zinc/56/51/65/781565165.db2.gz PRQUWFSLOZJEMQ-UWVGGRQHSA-N 1 1 322.369 -1.789 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CC2=O)C1 ZINC001094742532 781565941 /nfs/dbraw/zinc/56/59/41/781565941.db2.gz QKBRTWUQVXQHLT-GHMZBOCLSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CCNC3=O)CC2=O)C1 ZINC001094746569 781565975 /nfs/dbraw/zinc/56/59/75/781565975.db2.gz WGIJZKSZXZLMHI-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCOCC3=O)CC2=O)C1 ZINC001094746433 781566398 /nfs/dbraw/zinc/56/63/98/781566398.db2.gz VPWPPRRPVJWPSE-NSHDSACASA-N 1 1 324.381 -1.734 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742565 781566677 /nfs/dbraw/zinc/56/66/77/781566677.db2.gz QXHJCXMNZMFAND-WDEREUQCSA-N 1 1 322.369 -1.940 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C3CS(=O)(=O)C3)CC2=O)C1 ZINC001094740122 781566710 /nfs/dbraw/zinc/56/67/10/781566710.db2.gz ISDKYTMCXYWEEJ-SNVBAGLBSA-N 1 1 315.395 -1.548 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCCNC3=O)CC2=O)C1 ZINC001094747343 781567399 /nfs/dbraw/zinc/56/73/99/781567399.db2.gz PVVURRLPZFWJCZ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094753641 781567734 /nfs/dbraw/zinc/56/77/34/781567734.db2.gz PYXUUXYEKRQLBR-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 ZINC001094754152 781567749 /nfs/dbraw/zinc/56/77/49/781567749.db2.gz ZSPBSLPFBYIPGO-WDEREUQCSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cncn3C)CC2=O)C1 ZINC001094754151 781568442 /nfs/dbraw/zinc/56/84/42/781568442.db2.gz ZSPBSLPFBYIPGO-QWRGUYRKSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 ZINC001094754149 781568462 /nfs/dbraw/zinc/56/84/62/781568462.db2.gz ZSPBSLPFBYIPGO-GHMZBOCLSA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccncn1 ZINC001094800024 781569218 /nfs/dbraw/zinc/56/92/18/781569218.db2.gz VYIUYNGBHSRVAR-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccncn3)CC2=O)C1 ZINC001094799985 781570178 /nfs/dbraw/zinc/57/01/78/781570178.db2.gz VHYKZFXKLFSTAO-MNOVXSKESA-N 1 1 319.365 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094771620 781570477 /nfs/dbraw/zinc/57/04/77/781570477.db2.gz LJHUQAJGXOJBRC-WCBMZHEXSA-N 1 1 322.369 -1.491 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCNC1=O ZINC001094767971 781570660 /nfs/dbraw/zinc/57/06/60/781570660.db2.gz MQXIEENZCINTMY-JQWIXIFHSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 ZINC001094771350 781570941 /nfs/dbraw/zinc/57/09/41/781570941.db2.gz JHBARHYLIVOGCY-PWSUYJOCSA-N 1 1 308.382 -1.068 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094771618 781571008 /nfs/dbraw/zinc/57/10/08/781571008.db2.gz LJHUQAJGXOJBRC-PSASIEDQSA-N 1 1 322.369 -1.491 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768399 781571052 /nfs/dbraw/zinc/57/10/52/781571052.db2.gz SWIMDRSHOAETMR-PWSUYJOCSA-N 1 1 323.397 -1.180 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094772344 781572297 /nfs/dbraw/zinc/57/22/97/781572297.db2.gz RHAXNTWZSSPOOA-TUJOMHJISA-N 1 1 323.393 -1.339 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094774692 781572612 /nfs/dbraw/zinc/57/26/12/781572612.db2.gz ORAHZQUAJSYKEX-SECBINFHSA-N 1 1 307.358 -1.367 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094774178 781572872 /nfs/dbraw/zinc/57/28/72/781572872.db2.gz JJNIUFMXVPZEKL-SECBINFHSA-N 1 1 323.357 -2.393 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094772554 781573131 /nfs/dbraw/zinc/57/31/31/781573131.db2.gz XJMOVFQFSFTXIU-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2=O)C1 ZINC001094777175 781573508 /nfs/dbraw/zinc/57/35/08/781573508.db2.gz PJYQYKGKLIQGDR-ONGXEEELSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777889 781574533 /nfs/dbraw/zinc/57/45/33/781574533.db2.gz DWSQIOLRJGKOLH-ZYHUDNBSSA-N 1 1 322.365 -1.001 20 0 DAADMO CC[C@H](C[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1)OC ZINC001094780574 781576092 /nfs/dbraw/zinc/57/60/92/781576092.db2.gz ZIJUNNNKRZVWQG-GXSJLCMTSA-N 1 1 312.370 -1.702 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001094780640 781576267 /nfs/dbraw/zinc/57/62/67/781576267.db2.gz ZRBDQCQWZSKHBX-ZYHUDNBSSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094783082 781576610 /nfs/dbraw/zinc/57/66/10/781576610.db2.gz LANDOPKNNSHIMS-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783596 781577073 /nfs/dbraw/zinc/57/70/73/781577073.db2.gz SONVERJPOLZQLG-MEBBXXQBSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2=O)C1 ZINC001094782995 781577215 /nfs/dbraw/zinc/57/72/15/781577215.db2.gz IZINUMROCNXVEW-ADEWGFFLSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795389 781578570 /nfs/dbraw/zinc/57/85/70/781578570.db2.gz NZQFAUVURHTXIQ-ZJUUUORDSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795387 781579234 /nfs/dbraw/zinc/57/92/34/781579234.db2.gz NZQFAUVURHTXIQ-UWVGGRQHSA-N 1 1 322.369 -1.789 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094813778 781579772 /nfs/dbraw/zinc/57/97/72/781579772.db2.gz QZKBLUWJOQVBQP-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094814160 781579809 /nfs/dbraw/zinc/57/98/09/781579809.db2.gz AHROSEYRQQQJBQ-GHMZBOCLSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cncn3)CC2=O)C1 ZINC001094813896 781579850 /nfs/dbraw/zinc/57/98/50/781579850.db2.gz UROUISNFPJICPN-WDEREUQCSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094814626 781580514 /nfs/dbraw/zinc/58/05/14/781580514.db2.gz HEJJJGPFHSWYHV-NEPJUHHUSA-N 1 1 310.398 -1.668 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094814628 781580607 /nfs/dbraw/zinc/58/06/07/781580607.db2.gz HEJJJGPFHSWYHV-RYUDHWBXSA-N 1 1 310.398 -1.668 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094813777 781580809 /nfs/dbraw/zinc/58/08/09/781580809.db2.gz QZKBLUWJOQVBQP-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 ZINC001094803192 781581829 /nfs/dbraw/zinc/58/18/29/781581829.db2.gz IXTZURYHUOEVQZ-QWRGUYRKSA-N 1 1 319.365 -1.128 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)c(=O)n3C)CC2=O)C1 ZINC001094818490 781582020 /nfs/dbraw/zinc/58/20/20/781582020.db2.gz CNSJDOWBNPNKDI-SNVBAGLBSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 ZINC001094804147 781582080 /nfs/dbraw/zinc/58/20/80/781582080.db2.gz UOUBUSAIPNFLLO-GHMZBOCLSA-N 1 1 321.381 -1.266 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094826094 781584603 /nfs/dbraw/zinc/58/46/03/781584603.db2.gz ZQQUTNXSGHBOGL-UWVGGRQHSA-N 1 1 322.365 -1.540 20 0 DAADMO CO[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)C(=O)OC(C)(C)C ZINC001171661485 781585612 /nfs/dbraw/zinc/58/56/12/781585612.db2.gz CXRXXNZPSLKBAU-HZMBPMFUSA-N 1 1 318.370 -1.190 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099937137 781585888 /nfs/dbraw/zinc/58/58/88/781585888.db2.gz ILHHFOKXIXTNHW-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)CC1=O ZINC001171699463 781586059 /nfs/dbraw/zinc/58/60/59/781586059.db2.gz RWTIHKRRUDMRPZ-YUMQZZPRSA-N 1 1 314.342 -1.159 20 0 DAADMO CO[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)C(=O)OC(C)(C)C ZINC001171661487 781586100 /nfs/dbraw/zinc/58/61/00/781586100.db2.gz CXRXXNZPSLKBAU-QMTHXVAHSA-N 1 1 318.370 -1.190 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099936780 781586582 /nfs/dbraw/zinc/58/65/82/781586582.db2.gz DPASXWRAQPLIPH-VHSXEESVSA-N 1 1 324.403 -3.026 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001115048878 781593875 /nfs/dbraw/zinc/59/38/75/781593875.db2.gz FAZVYHQXXIZTJE-MEWQQHAOSA-N 1 1 319.427 -1.305 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001095156117 781594052 /nfs/dbraw/zinc/59/40/52/781594052.db2.gz OFEILRVOPGSAQJ-NOOOWODRSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cnnn2)C3)C1=O ZINC001095156117 781594058 /nfs/dbraw/zinc/59/40/58/781594058.db2.gz OFEILRVOPGSAQJ-NOOOWODRSA-N 1 1 319.369 -1.375 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001098358363 781594346 /nfs/dbraw/zinc/59/43/46/781594346.db2.gz LILMOQXPHMFMPS-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CC[N@H+](CC)C1 ZINC001173358395 781594470 /nfs/dbraw/zinc/59/44/70/781594470.db2.gz JKAUZVHCVIJPTN-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CC[N@@H+](CC)C1 ZINC001173358395 781594475 /nfs/dbraw/zinc/59/44/75/781594475.db2.gz JKAUZVHCVIJPTN-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972533 781600667 /nfs/dbraw/zinc/60/06/67/781600667.db2.gz VPJWXHYFAHISCZ-VHSXEESVSA-N 1 1 324.389 -1.344 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972534 781601429 /nfs/dbraw/zinc/60/14/29/781601429.db2.gz VPJWXHYFAHISCZ-ZJUUUORDSA-N 1 1 324.389 -1.344 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001175019197 781603247 /nfs/dbraw/zinc/60/32/47/781603247.db2.gz WAKDCRXDXSTSDF-UHFFFAOYSA-N 1 1 323.357 -1.122 20 0 DAADMO CC1(C)COc2cnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc21 ZINC001174985485 781603379 /nfs/dbraw/zinc/60/33/79/781603379.db2.gz CHICFMHCJHMUBP-FRRDWIJNSA-N 1 1 318.381 -1.116 20 0 DAADMO CC1(C)COc2cnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc21 ZINC001174985484 781603445 /nfs/dbraw/zinc/60/34/45/781603445.db2.gz CHICFMHCJHMUBP-AVGNSLFASA-N 1 1 318.381 -1.116 20 0 DAADMO COC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115053747 781605095 /nfs/dbraw/zinc/60/50/95/781605095.db2.gz SVWLEWBLWPAQAF-QISWUMQESA-N 1 1 312.370 -1.100 20 0 DAADMO COC[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115053747 781605101 /nfs/dbraw/zinc/60/51/01/781605101.db2.gz SVWLEWBLWPAQAF-QISWUMQESA-N 1 1 312.370 -1.100 20 0 DAADMO COc1cccc(CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001175357613 781605313 /nfs/dbraw/zinc/60/53/13/781605313.db2.gz INNHHLNIVRKIMY-RDBSUJKOSA-N 1 1 306.370 -1.458 20 0 DAADMO COc1cccnc1CCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001175513349 781605794 /nfs/dbraw/zinc/60/57/94/781605794.db2.gz XPHQOYOZNKYYSE-RDBSUJKOSA-N 1 1 306.370 -1.458 20 0 DAADMO COc1cncc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001175835291 781612662 /nfs/dbraw/zinc/61/26/62/781612662.db2.gz DGTSRXQBOZZFBE-IHRRRGAJSA-N 1 1 306.370 -1.458 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176153115 781613673 /nfs/dbraw/zinc/61/36/73/781613673.db2.gz PENMPQQKJICSQY-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001176162699 781614027 /nfs/dbraw/zinc/61/40/27/781614027.db2.gz YECOJFYGJFVVGT-LBPRGKRZSA-N 1 1 300.403 -1.203 20 0 DAADMO O=C(NCCC[NH2+]Cc1cnsn1)[C@@H]1CCS(=O)(=O)N1 ZINC001176289481 781615067 /nfs/dbraw/zinc/61/50/67/781615067.db2.gz QAMGRQCOMKQETP-VIFPVBQESA-N 1 1 319.412 -1.174 20 0 DAADMO O=C(NCCC[NH2+]Cc1cnsn1)[C@H]1CCS(=O)(=O)N1 ZINC001176289480 781615242 /nfs/dbraw/zinc/61/52/42/781615242.db2.gz QAMGRQCOMKQETP-SECBINFHSA-N 1 1 319.412 -1.174 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001176335787 781616358 /nfs/dbraw/zinc/61/63/58/781616358.db2.gz GRULLARYUQWBII-UHFFFAOYSA-N 1 1 305.360 -1.477 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001176273397 781616546 /nfs/dbraw/zinc/61/65/46/781616546.db2.gz NXDMMTIDCHMRGG-NSHDSACASA-N 1 1 318.370 -1.500 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001176644092 781621970 /nfs/dbraw/zinc/62/19/70/781621970.db2.gz LRZNZOISOMMEEE-JTQLQIEISA-N 1 1 312.374 -1.173 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001176644092 781621977 /nfs/dbraw/zinc/62/19/77/781621977.db2.gz LRZNZOISOMMEEE-JTQLQIEISA-N 1 1 312.374 -1.173 20 0 DAADMO COCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907193 781625752 /nfs/dbraw/zinc/62/57/52/781625752.db2.gz OMHXJSXRIIVGKL-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907193 781625757 /nfs/dbraw/zinc/62/57/57/781625757.db2.gz OMHXJSXRIIVGKL-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907194 781626370 /nfs/dbraw/zinc/62/63/70/781626370.db2.gz OMHXJSXRIIVGKL-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907194 781626374 /nfs/dbraw/zinc/62/63/74/781626374.db2.gz OMHXJSXRIIVGKL-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO Cn1nc(C[NH2+]CCCNC(=O)[C@@H]2CCC(=O)N(C)C2)[nH]c1=O ZINC001177011857 781629276 /nfs/dbraw/zinc/62/92/76/781629276.db2.gz RDBKCBCNYVLPQR-SNVBAGLBSA-N 1 1 324.385 -1.427 20 0 DAADMO Cc1[nH]c(=S)sc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001177604871 781638519 /nfs/dbraw/zinc/63/85/19/781638519.db2.gz PPAXEJSWNMABFH-KXUCPTDWSA-N 1 1 314.440 -1.198 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178069889 781640957 /nfs/dbraw/zinc/64/09/57/781640957.db2.gz PMJVHQPYUQKPNW-YWVKMMECSA-N 1 1 309.374 -1.186 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2csc(NC=O)n2)[C@@H]2NCN[C@@H]21 ZINC001178038125 781641352 /nfs/dbraw/zinc/64/13/52/781641352.db2.gz QGOUDCPWERVPOR-BBBLOLIVSA-N 1 1 311.371 -2.227 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(F)cn3)CC2)[C@@H]2NCN[C@H]21 ZINC001178084761 781642275 /nfs/dbraw/zinc/64/22/75/781642275.db2.gz UDFQHKCLJSGKHT-TUAOUCFPSA-N 1 1 306.345 -1.229 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(F)cn3)CC2)[C@@H]2NCN[C@@H]21 ZINC001178084766 781642737 /nfs/dbraw/zinc/64/27/37/781642737.db2.gz UDFQHKCLJSGKHT-UTUOFQBUSA-N 1 1 306.345 -1.229 20 0 DAADMO COCCOCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178366854 781645345 /nfs/dbraw/zinc/64/53/45/781645345.db2.gz PQFNEYFGUKTCHJ-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001178400715 781645492 /nfs/dbraw/zinc/64/54/92/781645492.db2.gz CFAUCKNVOQYICR-WPRPVWTQSA-N 1 1 308.342 -1.274 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)[C@@H]1C ZINC001178547978 781647338 /nfs/dbraw/zinc/64/73/38/781647338.db2.gz NWHYEAXRJZLIAS-GUBZILKMSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)[C@@H]1C ZINC001178560005 781649454 /nfs/dbraw/zinc/64/94/54/781649454.db2.gz RHJLCANGNBJDLC-QXEWZRGKSA-N 1 1 309.374 -1.049 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178632478 781650818 /nfs/dbraw/zinc/65/08/18/781650818.db2.gz ROUDXFTWBDPJAX-UWVGGRQHSA-N 1 1 324.389 -1.392 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001178703040 781651419 /nfs/dbraw/zinc/65/14/19/781651419.db2.gz ZKSCAPBJJITVOM-CTAKWSDESA-N 1 1 304.343 -2.613 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001178703040 781651423 /nfs/dbraw/zinc/65/14/23/781651423.db2.gz ZKSCAPBJJITVOM-CTAKWSDESA-N 1 1 304.343 -2.613 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN(c3ncncn3)CC2)CC1 ZINC001178951615 781653641 /nfs/dbraw/zinc/65/36/41/781653641.db2.gz CSIMEIJYFYMZME-UHFFFAOYSA-N 1 1 305.386 -1.232 20 0 DAADMO C[NH+]1CCN(CC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC001178956613 781654055 /nfs/dbraw/zinc/65/40/55/781654055.db2.gz XQQKFMOIDRXQKP-UHFFFAOYSA-N 1 1 304.416 -1.615 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001179468142 781660709 /nfs/dbraw/zinc/66/07/09/781660709.db2.gz ZBWGEWFFWMEKJY-YUMQZZPRSA-N 1 1 324.341 -1.487 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COc2ccc(CO)cc2)[C@H]2NCN[C@@H]21 ZINC001179664650 781661363 /nfs/dbraw/zinc/66/13/63/781661363.db2.gz DEVUQAIEFCTQKY-MGPQQGTHSA-N 1 1 307.354 -1.923 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C(F)(F)C(F)(F)Cl)[C@@H]2NCN[C@@H]21 ZINC001179781704 781663049 /nfs/dbraw/zinc/66/30/49/781663049.db2.gz MKLRJCAODDWYIQ-WDCZJNDASA-N 1 1 305.663 -1.028 20 0 DAADMO COc1cccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1OC ZINC001179970906 781665515 /nfs/dbraw/zinc/66/55/15/781665515.db2.gz KWMZKNQVLDULKL-VHDGCEQUSA-N 1 1 321.381 -1.235 20 0 DAADMO Cc1conc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074622 781669106 /nfs/dbraw/zinc/66/91/06/781669106.db2.gz PGAMYVOJSAWVMH-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1conc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115074622 781669111 /nfs/dbraw/zinc/66/91/11/781669111.db2.gz PGAMYVOJSAWVMH-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc3ccccc3n2)[C@H]2NCN[C@H]21 ZINC001180300161 781669311 /nfs/dbraw/zinc/66/93/11/781669311.db2.gz FVDSLWIQHMPXKQ-YNEHKIRRSA-N 1 1 302.342 -2.050 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3ccccc32)[C@H]2NCN[C@H]21 ZINC001180290846 781669323 /nfs/dbraw/zinc/66/93/23/781669323.db2.gz FNBXEVBXQSQPCO-RRFJBIMHSA-N 1 1 302.382 -1.432 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3ccccc32)[C@@H]2NCN[C@H]21 ZINC001180290847 781669335 /nfs/dbraw/zinc/66/93/35/781669335.db2.gz FNBXEVBXQSQPCO-ZNMIVQPWSA-N 1 1 302.382 -1.432 20 0 DAADMO CN(C)c1cccc(OCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001180618194 781673060 /nfs/dbraw/zinc/67/30/60/781673060.db2.gz KFDYKSJZGYYKQU-ILXRZTDVSA-N 1 1 320.397 -1.350 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC001180556828 781673101 /nfs/dbraw/zinc/67/31/01/781673101.db2.gz UKGMLRFGDLIGJT-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2NCN[C@@H]21 ZINC001180597066 781674548 /nfs/dbraw/zinc/67/45/48/781674548.db2.gz DKSNDQWCXXBSPN-MXWKQRLJSA-N 1 1 318.403 -3.764 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COCC(F)(F)C(F)F)[C@H]2NCN[C@@H]21 ZINC001180644479 781675481 /nfs/dbraw/zinc/67/54/81/781675481.db2.gz CVEMDFUSUXNRHF-BWZBUEFSSA-N 1 1 315.271 -1.578 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COCC(F)(F)C(F)F)[C@H]2NCN[C@H]21 ZINC001180644582 781676017 /nfs/dbraw/zinc/67/60/17/781676017.db2.gz CVEMDFUSUXNRHF-XLPZGREQSA-N 1 1 315.271 -1.578 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001180762819 781677218 /nfs/dbraw/zinc/67/72/18/781677218.db2.gz FZDJBQBYMOHEFB-FBUVDUAVSA-N 1 1 306.315 -3.767 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001180762819 781677223 /nfs/dbraw/zinc/67/72/23/781677223.db2.gz FZDJBQBYMOHEFB-FBUVDUAVSA-N 1 1 306.315 -3.767 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(C)=O ZINC001180760565 781677254 /nfs/dbraw/zinc/67/72/54/781677254.db2.gz WUNCRBOXWDWLPZ-NWDGAFQWSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(C)=O ZINC001180760565 781677257 /nfs/dbraw/zinc/67/72/57/781677257.db2.gz WUNCRBOXWDWLPZ-NWDGAFQWSA-N 1 1 313.354 -1.451 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763617 781677379 /nfs/dbraw/zinc/67/73/79/781677379.db2.gz KEFXLOVRAKRFJB-NEPJUHHUSA-N 1 1 310.354 -1.049 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763617 781677386 /nfs/dbraw/zinc/67/73/86/781677386.db2.gz KEFXLOVRAKRFJB-NEPJUHHUSA-N 1 1 310.354 -1.049 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180761433 781677655 /nfs/dbraw/zinc/67/76/55/781677655.db2.gz ZBGUIFINQNTAAD-DOMZBBRYSA-N 1 1 324.381 -1.734 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180761433 781677657 /nfs/dbraw/zinc/67/76/57/781677657.db2.gz ZBGUIFINQNTAAD-DOMZBBRYSA-N 1 1 324.381 -1.734 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760303 781677759 /nfs/dbraw/zinc/67/77/59/781677759.db2.gz SLTFVSIDYLAVHV-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760303 781677763 /nfs/dbraw/zinc/67/77/63/781677763.db2.gz SLTFVSIDYLAVHV-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@H]2c3ccccc3NC2=O)[C@@H]2NCN[C@@H]21 ZINC001180957526 781681614 /nfs/dbraw/zinc/68/16/14/781681614.db2.gz FFKQLGFCGNNVNJ-VKKKGTNTSA-N 1 1 316.365 -1.369 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@H]2c3ccccc3NC2=O)[C@H]2NCN[C@H]21 ZINC001180957525 781681947 /nfs/dbraw/zinc/68/19/47/781681947.db2.gz FFKQLGFCGNNVNJ-OLRMPSLUSA-N 1 1 316.365 -1.369 20 0 DAADMO COC(=O)C1CC2(C1)CC(C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C2 ZINC001181065250 781682603 /nfs/dbraw/zinc/68/26/03/781682603.db2.gz UJBGIZLHHOMXAC-ZTPBNQCDSA-N 1 1 323.397 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001181288004 781685397 /nfs/dbraw/zinc/68/53/97/781685397.db2.gz XGQVAPGVIAKQFQ-SECBINFHSA-N 1 1 308.342 -1.022 20 0 DAADMO CC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001181228743 781685707 /nfs/dbraw/zinc/68/57/07/781685707.db2.gz FTBZRDFJUNSRKO-RFQIPJPRSA-N 1 1 318.381 -1.617 20 0 DAADMO COC(=O)c1ccccc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181230645 781685725 /nfs/dbraw/zinc/68/57/25/781685725.db2.gz HPLLPMOCKDAWFS-IHRRRGAJSA-N 1 1 319.365 -1.465 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)n1C ZINC000265130402 781687580 /nfs/dbraw/zinc/68/75/80/781687580.db2.gz RADXUICNINQRFY-UHFFFAOYSA-N 1 1 322.325 -1.477 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccccc3)COC2)[C@@H]2NCN[C@H]21 ZINC001181560502 781689339 /nfs/dbraw/zinc/68/93/39/781689339.db2.gz CPESLBJBWQPJBA-XQQFMLRXSA-N 1 1 303.366 -1.526 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CC2CCS(=O)(=O)CC2)[C@H]2NCN[C@H]21 ZINC001181543072 781689676 /nfs/dbraw/zinc/68/96/76/781689676.db2.gz BYDXTNDPYCCKAL-QJPTWQEYSA-N 1 1 317.415 -2.280 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001181793699 781692846 /nfs/dbraw/zinc/69/28/46/781692846.db2.gz SJCKVLHELPGCHS-LLVKDONJSA-N 1 1 315.399 -1.308 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001181802029 781693138 /nfs/dbraw/zinc/69/31/38/781693138.db2.gz YRQWWBDUSKGQND-GXSJLCMTSA-N 1 1 322.369 -1.013 20 0 DAADMO CN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)Oc2ccccc21 ZINC001181970509 781695873 /nfs/dbraw/zinc/69/58/73/781695873.db2.gz NFOHCJKYIXHIHI-RFGFWPKPSA-N 1 1 318.381 -1.597 20 0 DAADMO CC(=O)N[C@H](CCO)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001182140180 781699821 /nfs/dbraw/zinc/69/98/21/781699821.db2.gz WIIWVBYSPTZALD-CYBMUJFWSA-N 1 1 300.403 -1.373 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001182193692 781700652 /nfs/dbraw/zinc/70/06/52/781700652.db2.gz ALTNJZJMAHDHCQ-XHNCKOQMSA-N 1 1 310.362 -1.482 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001182195469 781702377 /nfs/dbraw/zinc/70/23/77/781702377.db2.gz YDNYBDKJSDRJEM-DTWKUNHWSA-N 1 1 322.373 -1.245 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001110275662 781703534 /nfs/dbraw/zinc/70/35/34/781703534.db2.gz QJLLZQKYEIHSQQ-MXWKQRLJSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001110275662 781703541 /nfs/dbraw/zinc/70/35/41/781703541.db2.gz QJLLZQKYEIHSQQ-MXWKQRLJSA-N 1 1 309.370 -1.345 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275712 781704208 /nfs/dbraw/zinc/70/42/08/781704208.db2.gz SQZZTGIWYMNSIK-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275712 781704216 /nfs/dbraw/zinc/70/42/16/781704216.db2.gz SQZZTGIWYMNSIK-MXWKQRLJSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001182329168 781704504 /nfs/dbraw/zinc/70/45/04/781704504.db2.gz CKSIACYSCWRVGK-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001110272410 781704593 /nfs/dbraw/zinc/70/45/93/781704593.db2.gz XQJRIPDBSRMGKI-CHWFTXMASA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001110272410 781704597 /nfs/dbraw/zinc/70/45/97/781704597.db2.gz XQJRIPDBSRMGKI-CHWFTXMASA-N 1 1 309.370 -1.345 20 0 DAADMO COc1ccc2c(c1)C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)O2 ZINC001182357036 781705804 /nfs/dbraw/zinc/70/58/04/781705804.db2.gz QGDHUJHFUNBZJX-YIYPIFLZSA-N 1 1 319.365 -1.482 20 0 DAADMO COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151156432 781706053 /nfs/dbraw/zinc/70/60/53/781706053.db2.gz CKMRKUOKSVDOAK-CHWSQXEVSA-N 1 1 303.403 -1.332 20 0 DAADMO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151156435 781706085 /nfs/dbraw/zinc/70/60/85/781706085.db2.gz CKMRKUOKSVDOAK-STQMWFEESA-N 1 1 303.403 -1.332 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2NC(=O)c3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001182430339 781707365 /nfs/dbraw/zinc/70/73/65/781707365.db2.gz CODASNUVQBAUCN-KKOKHZNYSA-N 1 1 302.338 -2.010 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2NC(=O)c3ccccc32)[C@H]2NCN[C@@H]21 ZINC001182430338 781707419 /nfs/dbraw/zinc/70/74/19/781707419.db2.gz CODASNUVQBAUCN-DDHJBXDOSA-N 1 1 302.338 -2.010 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)NC(N)=O ZINC001182562537 781709056 /nfs/dbraw/zinc/70/90/56/781709056.db2.gz VJQFQMHUFJCXCV-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1)NC(N)=O ZINC001182531411 781709645 /nfs/dbraw/zinc/70/96/45/781709645.db2.gz XQIKJDSGXWFGSZ-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3c(c2)OCC3)[C@@H]2NCN[C@H]21 ZINC001182652987 781710674 /nfs/dbraw/zinc/71/06/74/781710674.db2.gz KCEGELZGKDRDML-ZNMIVQPWSA-N 1 1 303.366 -1.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C23CCC(CO)(CC2)CC3)[C@H]2NCN[C@@H]21 ZINC001182709807 781712303 /nfs/dbraw/zinc/71/23/03/781712303.db2.gz SXBKXUSSMBUMEQ-GRBUOMEOSA-N 1 1 309.414 -1.162 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001182803753 781712391 /nfs/dbraw/zinc/71/23/91/781712391.db2.gz WENTYPUZIHIAPG-GXSJLCMTSA-N 1 1 324.385 -1.045 20 0 DAADMO C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccc(C(N)=O)cc1 ZINC001182789099 781713438 /nfs/dbraw/zinc/71/34/38/781713438.db2.gz FALGHIWVGUMRQH-PRAYIBQGSA-N 1 1 318.381 -1.592 20 0 DAADMO CC(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001182869292 781713713 /nfs/dbraw/zinc/71/37/13/781713713.db2.gz LHIJDCMRKNYFPH-GRRZBWEESA-N 1 1 304.343 -2.615 20 0 DAADMO CC(C)[N@H+]1CC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001182869292 781713718 /nfs/dbraw/zinc/71/37/18/781713718.db2.gz LHIJDCMRKNYFPH-GRRZBWEESA-N 1 1 304.343 -2.615 20 0 DAADMO CC(C)[N@@H+]1CC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001182869290 781713796 /nfs/dbraw/zinc/71/37/96/781713796.db2.gz LHIJDCMRKNYFPH-CTAKWSDESA-N 1 1 304.343 -2.615 20 0 DAADMO CC(C)[N@H+]1CC[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001182869290 781713801 /nfs/dbraw/zinc/71/38/01/781713801.db2.gz LHIJDCMRKNYFPH-CTAKWSDESA-N 1 1 304.343 -2.615 20 0 DAADMO C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccc(C(N)=O)cc1 ZINC001182789100 781713999 /nfs/dbraw/zinc/71/39/99/781713999.db2.gz FALGHIWVGUMRQH-RBQWDTSBSA-N 1 1 318.381 -1.592 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151300218 781714667 /nfs/dbraw/zinc/71/46/67/781714667.db2.gz LBKFUIRLQWWARG-CBAPKCEASA-N 1 1 316.387 -1.428 20 0 DAADMO CN(CC(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1)S(C)(=O)=O ZINC001182877466 781715335 /nfs/dbraw/zinc/71/53/35/781715335.db2.gz FERNKJXWWGJIAL-JTQLQIEISA-N 1 1 305.400 -1.191 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)nn1 ZINC001151301456 781716483 /nfs/dbraw/zinc/71/64/83/781716483.db2.gz UYCZMNDBWBEOQM-SECBINFHSA-N 1 1 302.360 -2.287 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001183026727 781718728 /nfs/dbraw/zinc/71/87/28/781718728.db2.gz WMLFDXHLSGSBAK-XHNCKOQMSA-N 1 1 304.376 -3.603 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001183033077 781719868 /nfs/dbraw/zinc/71/98/68/781719868.db2.gz OENUDOBMMIKDCI-SNVBAGLBSA-N 1 1 311.342 -1.087 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001183032936 781720030 /nfs/dbraw/zinc/72/00/30/781720030.db2.gz LQXGUIGOALIGGB-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001183055269 781721494 /nfs/dbraw/zinc/72/14/94/781721494.db2.gz YLLXDJBURNMUNK-SECBINFHSA-N 1 1 322.373 -1.373 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001183141974 781722839 /nfs/dbraw/zinc/72/28/39/781722839.db2.gz ZADVXQUBNDFXPD-QCLAVDOMSA-N 1 1 300.388 -2.573 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)[C@@H]2NCN[C@@H]21 ZINC001183388020 781725384 /nfs/dbraw/zinc/72/53/84/781725384.db2.gz GWVQQBYWBWENJT-QMIVOQANSA-N 1 1 317.393 -1.199 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)[C@H]2NCN[C@@H]21 ZINC001183388022 781725821 /nfs/dbraw/zinc/72/58/21/781725821.db2.gz GWVQQBYWBWENJT-UXXRCYHCSA-N 1 1 317.393 -1.199 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001183677330 781728369 /nfs/dbraw/zinc/72/83/69/781728369.db2.gz PDTABHCMDBLUDW-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO COCC[NH+]1CCN(C(=O)Cn2cc(F)c(=O)[nH]c2=O)CC1 ZINC001183655382 781729862 /nfs/dbraw/zinc/72/98/62/781729862.db2.gz UVQJAEQAKROODR-UHFFFAOYSA-N 1 1 314.317 -1.121 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183727079 781733325 /nfs/dbraw/zinc/73/33/25/781733325.db2.gz OHNHXZZOTCDRCP-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO COCCC1(NC(=O)c2cnn(C)n2)CC[NH+](CC(N)=O)CC1 ZINC001151357368 781735529 /nfs/dbraw/zinc/73/55/29/781735529.db2.gz YQUPOLRFWWNHIK-UHFFFAOYSA-N 1 1 324.385 -1.099 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCN1CCCC1=O)c1nnnn1C ZINC001151355203 781735637 /nfs/dbraw/zinc/73/56/37/781735637.db2.gz ZMZNSZYZTFIJKB-JTQLQIEISA-N 1 1 309.374 -1.011 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001183853281 781736485 /nfs/dbraw/zinc/73/64/85/781736485.db2.gz ABPISEAKFPBLNM-MRVPVSSYSA-N 1 1 316.312 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001183824051 781737111 /nfs/dbraw/zinc/73/71/11/781737111.db2.gz XBWACCQZBXOKHY-ZJUUUORDSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001183824048 781737114 /nfs/dbraw/zinc/73/71/14/781737114.db2.gz XBWACCQZBXOKHY-UWVGGRQHSA-N 1 1 324.389 -1.547 20 0 DAADMO CC(C)(C)C(=O)NCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001183945591 781737369 /nfs/dbraw/zinc/73/73/69/781737369.db2.gz XPNVIWWDOJZTBV-GRYCIOLGSA-N 1 1 312.418 -1.552 20 0 DAADMO CC(C)(C)C(=O)NCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001183945593 781737566 /nfs/dbraw/zinc/73/75/66/781737566.db2.gz XPNVIWWDOJZTBV-SDDRHHMPSA-N 1 1 312.418 -1.552 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2noc3cc(O)ccc23)[C@H]2NCN[C@H]21 ZINC001183992828 781739098 /nfs/dbraw/zinc/73/90/98/781739098.db2.gz MZYDROUNDZPJMT-BFHYXJOUSA-N 1 1 318.337 -1.405 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001151379416 781739582 /nfs/dbraw/zinc/73/95/82/781739582.db2.gz CKDSYBNGHVYJQF-SSDOTTSWSA-N 1 1 305.364 -2.474 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373656 781739712 /nfs/dbraw/zinc/73/97/12/781739712.db2.gz SGSQPRSFSFLSEY-UHFFFAOYSA-N 1 1 318.403 -1.639 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001151379864 781741043 /nfs/dbraw/zinc/74/10/43/781741043.db2.gz VWSPJMFOWGITIF-UHFFFAOYSA-N 1 1 315.399 -1.416 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H](O)Cc2cccc(F)c2)[C@@H]2NCN[C@@H]21 ZINC001184151808 781743464 /nfs/dbraw/zinc/74/34/64/781743464.db2.gz VGNQUNKXGJLYIK-LOWDOPEQSA-N 1 1 309.345 -1.752 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)NCC[NH+]2CC3(COC3)C2)NC1=O ZINC001184100977 781743624 /nfs/dbraw/zinc/74/36/24/781743624.db2.gz GVAXLZBGNSUNKA-QWRGUYRKSA-N 1 1 324.381 -1.782 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001184241821 781746946 /nfs/dbraw/zinc/74/69/46/781746946.db2.gz OMHPATNPTKZTIH-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001184778702 781750301 /nfs/dbraw/zinc/75/03/01/781750301.db2.gz PYCQHXYUGGUKCM-SECBINFHSA-N 1 1 323.357 -1.237 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001184785048 781750331 /nfs/dbraw/zinc/75/03/31/781750331.db2.gz QTAXJSPKSGDUME-RKDXNWHRSA-N 1 1 323.357 -1.239 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001184778342 781750476 /nfs/dbraw/zinc/75/04/76/781750476.db2.gz JAPPQZJPIZGTPN-MRVPVSSYSA-N 1 1 309.330 -1.627 20 0 DAADMO COC[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CCOC1 ZINC001184619282 781750947 /nfs/dbraw/zinc/75/09/47/781750947.db2.gz QXWOODJMKHAAQP-BXUZGUMPSA-N 1 1 324.385 -1.046 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001184785047 781751012 /nfs/dbraw/zinc/75/10/12/781751012.db2.gz QTAXJSPKSGDUME-DTWKUNHWSA-N 1 1 323.357 -1.239 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001185244645 781758071 /nfs/dbraw/zinc/75/80/71/781758071.db2.gz LOURJJQVMOOZRD-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO COc1nc(OC)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1C ZINC001185443825 781760448 /nfs/dbraw/zinc/76/04/48/781760448.db2.gz ZBBSWXJKBSTFFL-DCAQKATOSA-N 1 1 322.369 -1.460 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1)C(=O)NC(N)=O ZINC001185416105 781760674 /nfs/dbraw/zinc/76/06/74/781760674.db2.gz NNTPODZZJKNBEA-JGVFFNPUSA-N 1 1 324.341 -1.487 20 0 DAADMO CN1CC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)=NC1=O ZINC001185392115 781760796 /nfs/dbraw/zinc/76/07/96/781760796.db2.gz JLMYUVJYPBMEFC-SSDOTTSWSA-N 1 1 310.314 -1.875 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098482 781765038 /nfs/dbraw/zinc/76/50/38/781765038.db2.gz INIMDQPNLNYFFB-MSRIBSCDSA-N 1 1 306.370 -1.082 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098482 781765049 /nfs/dbraw/zinc/76/50/49/781765049.db2.gz INIMDQPNLNYFFB-MSRIBSCDSA-N 1 1 306.370 -1.082 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185899403 781768017 /nfs/dbraw/zinc/76/80/17/781768017.db2.gz LEGNAJLWDNZNCB-NSHDSACASA-N 1 1 310.358 -1.601 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186037510 781769978 /nfs/dbraw/zinc/76/99/78/781769978.db2.gz HWEBXLQMIPJOMV-SNVBAGLBSA-N 1 1 323.353 -1.136 20 0 DAADMO CCOC(=O)c1nc2n(n1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186037510 781769983 /nfs/dbraw/zinc/76/99/83/781769983.db2.gz HWEBXLQMIPJOMV-SNVBAGLBSA-N 1 1 323.353 -1.136 20 0 DAADMO O=C(c1cn[nH]n1)N1CCC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185963601 781770348 /nfs/dbraw/zinc/77/03/48/781770348.db2.gz QWDZTGUTLQXKDQ-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001186034945 781770772 /nfs/dbraw/zinc/77/07/72/781770772.db2.gz XQYCRCVNFNDVQA-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001186012067 781770783 /nfs/dbraw/zinc/77/07/83/781770783.db2.gz VHZNNZFXNLPWOR-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO COCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185993138 781771147 /nfs/dbraw/zinc/77/11/47/781771147.db2.gz WDUFLXHAPAXKEX-NSHDSACASA-N 1 1 310.358 -1.337 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186037912 781771198 /nfs/dbraw/zinc/77/11/98/781771198.db2.gz LVKRRGSZUBZBFT-CYBMUJFWSA-N 1 1 312.414 -1.278 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](O)C2)CCN1C(C)=O ZINC001186044445 781772051 /nfs/dbraw/zinc/77/20/51/781772051.db2.gz HBCVJPWOFYCNOI-VXGBXAGGSA-N 1 1 313.354 -1.715 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001186115633 781772119 /nfs/dbraw/zinc/77/21/19/781772119.db2.gz HDHVNBWQUQGSJZ-QMMMGPOBSA-N 1 1 310.310 -1.081 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(=O)n(C)c(=O)[nH]2)C1 ZINC001186115633 781772121 /nfs/dbraw/zinc/77/21/21/781772121.db2.gz HDHVNBWQUQGSJZ-QMMMGPOBSA-N 1 1 310.310 -1.081 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CO)[C@@H](O)C2)C1 ZINC001186101668 781772691 /nfs/dbraw/zinc/77/26/91/781772691.db2.gz YEGUGPYFNXPMAX-SRVKXCTJSA-N 1 1 300.355 -1.317 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)C1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001186045732 781772729 /nfs/dbraw/zinc/77/27/29/781772729.db2.gz WMURCXUYEMFJRW-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001186045732 781772737 /nfs/dbraw/zinc/77/27/37/781772737.db2.gz WMURCXUYEMFJRW-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(N3CCNC(=O)C3)C2)C1 ZINC001186106934 781772873 /nfs/dbraw/zinc/77/28/73/781772873.db2.gz QNDMZNUKLHJBJC-NSHDSACASA-N 1 1 324.381 -1.876 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001186044781 781773211 /nfs/dbraw/zinc/77/32/11/781773211.db2.gz KCNQTXRPHAEUPN-XNQXYUBBSA-N 1 1 322.365 -1.215 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221953 781775355 /nfs/dbraw/zinc/77/53/55/781775355.db2.gz RUPLAIOQQSMRCW-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)NCCN2CC3(COC3)C2)C1 ZINC001186116552 781775467 /nfs/dbraw/zinc/77/54/67/781775467.db2.gz GYTGPXZKMICPGZ-LBPRGKRZSA-N 1 1 311.382 -1.070 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCN2CC3(COC3)C2)C1 ZINC001186116552 781775472 /nfs/dbraw/zinc/77/54/72/781775472.db2.gz GYTGPXZKMICPGZ-LBPRGKRZSA-N 1 1 311.382 -1.070 20 0 DAADMO C[N@H+]1CCC[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001186364243 781776991 /nfs/dbraw/zinc/77/69/91/781776991.db2.gz KPTZZYAJNMJSKK-GRRZBWEESA-N 1 1 304.343 -2.756 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC1C[NH+](C(C)C)C1 ZINC001186602715 781783622 /nfs/dbraw/zinc/78/36/22/781783622.db2.gz DLTVKQZPCHCAPI-NSHDSACASA-N 1 1 300.359 -2.192 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001186602903 781784927 /nfs/dbraw/zinc/78/49/27/781784927.db2.gz HZOCKNWZKIPXEE-QWRGUYRKSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001186705763 781787427 /nfs/dbraw/zinc/78/74/27/781787427.db2.gz PJXFLFSRJIORHC-YNEHKIRRSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001186716267 781787873 /nfs/dbraw/zinc/78/78/73/781787873.db2.gz SQEVOZPLFDYMHX-VHSXEESVSA-N 1 1 324.337 -1.398 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001186716267 781787881 /nfs/dbraw/zinc/78/78/81/781787881.db2.gz SQEVOZPLFDYMHX-VHSXEESVSA-N 1 1 324.337 -1.398 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001186818646 781791562 /nfs/dbraw/zinc/79/15/62/781791562.db2.gz CZIJBBGGPUKVBA-NWDGAFQWSA-N 1 1 310.358 -1.785 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001186819801 781791704 /nfs/dbraw/zinc/79/17/04/781791704.db2.gz RSECPOPXUYPDEV-GARJFASQSA-N 1 1 309.370 -1.534 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H]2COCCN2C(C)=O)n1 ZINC001151588179 781792390 /nfs/dbraw/zinc/79/23/90/781792390.db2.gz XMACDIZNVUECCY-CYBMUJFWSA-N 1 1 324.385 -1.249 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001110386733 781793267 /nfs/dbraw/zinc/79/32/67/781793267.db2.gz VOHOOLPVTIYQAY-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)CCCc2ccccc2)[C@H]2NCN[C@H]21 ZINC001187058029 781793545 /nfs/dbraw/zinc/79/35/45/781793545.db2.gz HAYIAEGFGJGJBZ-LXTVHRRPSA-N 1 1 319.409 -1.111 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(-n3cnnn3)c2)[C@H]2NCN[C@@H]21 ZINC001186984620 781793564 /nfs/dbraw/zinc/79/35/64/781793564.db2.gz ZLJVZFICXHCRJA-IJLUTSLNSA-N 1 1 315.341 -2.205 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)CCCc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001187058025 781794088 /nfs/dbraw/zinc/79/40/88/781794088.db2.gz HAYIAEGFGJGJBZ-BARDWOONSA-N 1 1 319.409 -1.111 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(-n3cnnn3)c2)[C@H]2NCN[C@H]21 ZINC001186984626 781794353 /nfs/dbraw/zinc/79/43/53/781794353.db2.gz ZLJVZFICXHCRJA-QJPTWQEYSA-N 1 1 315.341 -2.205 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(-n3cnnn3)c2)[C@@H]2NCN[C@H]21 ZINC001186984628 781794540 /nfs/dbraw/zinc/79/45/40/781794540.db2.gz ZLJVZFICXHCRJA-TUAOUCFPSA-N 1 1 315.341 -2.205 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187124795 781796255 /nfs/dbraw/zinc/79/62/55/781796255.db2.gz MZTCDOVJZZPRSD-GXSJLCMTSA-N 1 1 320.353 -1.239 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187124795 781796261 /nfs/dbraw/zinc/79/62/61/781796261.db2.gz MZTCDOVJZZPRSD-GXSJLCMTSA-N 1 1 320.353 -1.239 20 0 DAADMO COCC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187513447 781798440 /nfs/dbraw/zinc/79/84/40/781798440.db2.gz LYYJVPKVBITDDY-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001187668460 781801862 /nfs/dbraw/zinc/80/18/62/781801862.db2.gz ZJKWPALKQKZUGW-HBNTYKKESA-N 1 1 322.365 -1.540 20 0 DAADMO CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001273546078 781806416 /nfs/dbraw/zinc/80/64/16/781806416.db2.gz GUWMMBCTSVARPH-LLVKDONJSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001187704770 781806662 /nfs/dbraw/zinc/80/66/62/781806662.db2.gz YJMQZGZRGLJBJZ-RKDXNWHRSA-N 1 1 310.362 -1.480 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187824963 781807122 /nfs/dbraw/zinc/80/71/22/781807122.db2.gz DOKOSAWHRKLWMM-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187824895 781807858 /nfs/dbraw/zinc/80/78/58/781807858.db2.gz BRFPJQAHDDJROY-NWDGAFQWSA-N 1 1 318.443 -1.322 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001187916000 781809803 /nfs/dbraw/zinc/80/98/03/781809803.db2.gz WWJGCKOPGMJROA-SECBINFHSA-N 1 1 316.387 -1.647 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001187902950 781810243 /nfs/dbraw/zinc/81/02/43/781810243.db2.gz ZUSYCQLFNNGEEV-SECBINFHSA-N 1 1 316.387 -1.945 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001187985044 781811697 /nfs/dbraw/zinc/81/16/97/781811697.db2.gz ZXGDCPFOLWPGER-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001187996986 781813157 /nfs/dbraw/zinc/81/31/57/781813157.db2.gz KVEGESGYFNSLOY-GARJFASQSA-N 1 1 312.370 -1.845 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001187996986 781813168 /nfs/dbraw/zinc/81/31/68/781813168.db2.gz KVEGESGYFNSLOY-GARJFASQSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001188098974 781813259 /nfs/dbraw/zinc/81/32/59/781813259.db2.gz FDEOUKFTQGYEPT-LLVKDONJSA-N 1 1 321.385 -1.183 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001188133282 781815299 /nfs/dbraw/zinc/81/52/99/781815299.db2.gz SSQIHDZZPCZEDX-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001188150935 781816413 /nfs/dbraw/zinc/81/64/13/781816413.db2.gz BGSVLCDQLWTJES-NWDGAFQWSA-N 1 1 321.385 -1.260 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001188152294 781816631 /nfs/dbraw/zinc/81/66/31/781816631.db2.gz WEGQSXMRMKYADX-OUAUKWLOSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001188144631 781816750 /nfs/dbraw/zinc/81/67/50/781816750.db2.gz POZVDZUZSUAHLC-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001188144631 781816758 /nfs/dbraw/zinc/81/67/58/781816758.db2.gz POZVDZUZSUAHLC-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188292612 781818030 /nfs/dbraw/zinc/81/80/30/781818030.db2.gz BCPHGMSJYRTVGS-NWDGAFQWSA-N 1 1 321.381 -1.045 20 0 DAADMO Cn1ccnc1COCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188292612 781818034 /nfs/dbraw/zinc/81/80/34/781818034.db2.gz BCPHGMSJYRTVGS-NWDGAFQWSA-N 1 1 321.381 -1.045 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001188675168 781821429 /nfs/dbraw/zinc/82/14/29/781821429.db2.gz KGCHJMAIYVJABN-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001188675168 781821438 /nfs/dbraw/zinc/82/14/38/781821438.db2.gz KGCHJMAIYVJABN-VIFPVBQESA-N 1 1 306.326 -1.182 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C1 ZINC001188693336 781822786 /nfs/dbraw/zinc/82/27/86/781822786.db2.gz LGZHUUFOZKJMIR-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001188693336 781822790 /nfs/dbraw/zinc/82/27/90/781822790.db2.gz LGZHUUFOZKJMIR-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188792607 781823870 /nfs/dbraw/zinc/82/38/70/781823870.db2.gz ICRZHWGZGPCOKD-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001188693462 781823978 /nfs/dbraw/zinc/82/39/78/781823978.db2.gz NZGJGDRBWMWTRS-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001188727016 781824415 /nfs/dbraw/zinc/82/44/15/781824415.db2.gz MXMOXBWVIOMLSW-QMMMGPOBSA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001188727016 781824427 /nfs/dbraw/zinc/82/44/27/781824427.db2.gz MXMOXBWVIOMLSW-QMMMGPOBSA-N 1 1 322.325 -1.477 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001188693593 781824593 /nfs/dbraw/zinc/82/45/93/781824593.db2.gz OKHMGUDTIGRWDR-LBPRGKRZSA-N 1 1 324.381 -1.196 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001188724446 781824618 /nfs/dbraw/zinc/82/46/18/781824618.db2.gz UIHFNMJWTWGULO-GARJFASQSA-N 1 1 320.415 -2.046 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188792606 781825036 /nfs/dbraw/zinc/82/50/36/781825036.db2.gz ICRZHWGZGPCOKD-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001188732199 781826164 /nfs/dbraw/zinc/82/61/64/781826164.db2.gz XJUBQVUZAYATFO-WDEREUQCSA-N 1 1 304.416 -1.019 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785272 781826392 /nfs/dbraw/zinc/82/63/92/781826392.db2.gz VSHIQXDXPRSTIG-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188783265 781826417 /nfs/dbraw/zinc/82/64/17/781826417.db2.gz AIRLHBKWPGWQAN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188783265 781826422 /nfs/dbraw/zinc/82/64/22/781826422.db2.gz AIRLHBKWPGWQAN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188760163 781826441 /nfs/dbraw/zinc/82/64/41/781826441.db2.gz TURGWDIIRGOKOD-RWMBFGLXSA-N 1 1 311.382 -1.336 20 0 DAADMO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829216 781826546 /nfs/dbraw/zinc/82/65/46/781826546.db2.gz SRJUSOUEKXACMH-NSHDSACASA-N 1 1 302.375 -1.150 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811836 781826688 /nfs/dbraw/zinc/82/66/88/781826688.db2.gz HDZFYQKLGOWZFT-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188828765 781826809 /nfs/dbraw/zinc/82/68/09/781826809.db2.gz PMMUXCPFONPBSI-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829215 781827063 /nfs/dbraw/zinc/82/70/63/781827063.db2.gz SRJUSOUEKXACMH-LLVKDONJSA-N 1 1 302.375 -1.150 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811825 781827278 /nfs/dbraw/zinc/82/72/78/781827278.db2.gz GXSPBEWGMQXWBA-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811825 781827288 /nfs/dbraw/zinc/82/72/88/781827288.db2.gz GXSPBEWGMQXWBA-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785572 781827346 /nfs/dbraw/zinc/82/73/46/781827346.db2.gz XALUDPRFPHOEKM-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785572 781827355 /nfs/dbraw/zinc/82/73/55/781827355.db2.gz XALUDPRFPHOEKM-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812023 781827524 /nfs/dbraw/zinc/82/75/24/781827524.db2.gz HPTYNHFRXJEUEW-VXGBXAGGSA-N 1 1 324.385 -1.555 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188777673 781827982 /nfs/dbraw/zinc/82/79/82/781827982.db2.gz ZLTLBNJNPQBNMB-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188777673 781827993 /nfs/dbraw/zinc/82/79/93/781827993.db2.gz ZLTLBNJNPQBNMB-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188949014 781829940 /nfs/dbraw/zinc/82/99/40/781829940.db2.gz PEQASQIXZBYKDB-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C1 ZINC001188917067 781830032 /nfs/dbraw/zinc/83/00/32/781830032.db2.gz BXDQTDIKOMAFPZ-WDEREUQCSA-N 1 1 321.337 -1.055 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnoc3)[C@@H]2C1 ZINC001188917067 781830044 /nfs/dbraw/zinc/83/00/44/781830044.db2.gz BXDQTDIKOMAFPZ-WDEREUQCSA-N 1 1 321.337 -1.055 20 0 DAADMO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813893 781830841 /nfs/dbraw/zinc/83/08/41/781830841.db2.gz REYWACIUAUKQBQ-SNVBAGLBSA-N 1 1 320.415 -1.378 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813893 781830846 /nfs/dbraw/zinc/83/08/46/781830846.db2.gz REYWACIUAUKQBQ-SNVBAGLBSA-N 1 1 320.415 -1.378 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188949013 781830994 /nfs/dbraw/zinc/83/09/94/781830994.db2.gz PEQASQIXZBYKDB-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CNC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001188827372 781831030 /nfs/dbraw/zinc/83/10/30/781831030.db2.gz AVPHRLASRAMXPI-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813577 781831538 /nfs/dbraw/zinc/83/15/38/781831538.db2.gz OWTVTBPRZHHYQH-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188992536 781832712 /nfs/dbraw/zinc/83/27/12/781832712.db2.gz WRACZLFTDMVMPV-WDEREUQCSA-N 1 1 305.400 -1.420 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001189059664 781832652 /nfs/dbraw/zinc/83/26/52/781832652.db2.gz RVFSFEALFWERJV-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001189059664 781832661 /nfs/dbraw/zinc/83/26/61/781832661.db2.gz RVFSFEALFWERJV-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001188974057 781833108 /nfs/dbraw/zinc/83/31/08/781833108.db2.gz KJQKYJYMKSPCDH-NEPJUHHUSA-N 1 1 324.381 -1.197 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970797 781833879 /nfs/dbraw/zinc/83/38/79/781833879.db2.gz LMXKSLIOXGLJFQ-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970797 781833886 /nfs/dbraw/zinc/83/38/86/781833886.db2.gz LMXKSLIOXGLJFQ-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001188956449 781833904 /nfs/dbraw/zinc/83/39/04/781833904.db2.gz KHNWJAGPJJDLLJ-DMDPSCGWSA-N 1 1 322.365 -1.077 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188971252 781834008 /nfs/dbraw/zinc/83/40/08/781834008.db2.gz RWMGTUPCWLOZJA-SDDRHHMPSA-N 1 1 323.397 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188971252 781834015 /nfs/dbraw/zinc/83/40/15/781834015.db2.gz RWMGTUPCWLOZJA-SDDRHHMPSA-N 1 1 323.397 -1.275 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970802 781834160 /nfs/dbraw/zinc/83/41/60/781834160.db2.gz LSWXHGUUOQHHAY-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970802 781834166 /nfs/dbraw/zinc/83/41/66/781834166.db2.gz LSWXHGUUOQHHAY-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001189012563 781834263 /nfs/dbraw/zinc/83/42/63/781834263.db2.gz OUFCSFMFAQPJFD-GRYCIOLGSA-N 1 1 319.427 -1.031 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)[C@@H]1CCNC1=O ZINC001189086827 781835159 /nfs/dbraw/zinc/83/51/59/781835159.db2.gz USVIMRNUWPTRLK-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(OC)nn1 ZINC001189082166 781835207 /nfs/dbraw/zinc/83/52/07/781835207.db2.gz OIAFOBBATDHGBB-KXUCPTDWSA-N 1 1 309.330 -2.374 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189131819 781835856 /nfs/dbraw/zinc/83/58/56/781835856.db2.gz DADHDZCYZZLLQF-LLVKDONJSA-N 1 1 303.359 -1.116 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)[C@H]1CCNC1=O ZINC001189086820 781836425 /nfs/dbraw/zinc/83/64/25/781836425.db2.gz USVIMRNUWPTRLK-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189134952 781836721 /nfs/dbraw/zinc/83/67/21/781836721.db2.gz HVWCLTXBHXWUBS-QNWHQSFQSA-N 1 1 311.382 -1.351 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344856 781837353 /nfs/dbraw/zinc/83/73/53/781837353.db2.gz HGJAFHPUWNMYNP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344856 781837359 /nfs/dbraw/zinc/83/73/59/781837359.db2.gz HGJAFHPUWNMYNP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189214461 781837396 /nfs/dbraw/zinc/83/73/96/781837396.db2.gz HZKYFLDUBLBYQN-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1nccc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189214461 781837402 /nfs/dbraw/zinc/83/74/02/781837402.db2.gz HZKYFLDUBLBYQN-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160871 781837640 /nfs/dbraw/zinc/83/76/40/781837640.db2.gz DBRIRVPIFBJCNF-GHMZBOCLSA-N 1 1 308.400 -1.429 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160871 781837644 /nfs/dbraw/zinc/83/76/44/781837644.db2.gz DBRIRVPIFBJCNF-GHMZBOCLSA-N 1 1 308.400 -1.429 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189247199 781837890 /nfs/dbraw/zinc/83/78/90/781837890.db2.gz ZSHWVMVJKHROCK-GARJFASQSA-N 1 1 305.400 -1.551 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)nc(F)c2F)[C@@H]2NCN[C@@H]21 ZINC001189183031 781838086 /nfs/dbraw/zinc/83/80/86/781838086.db2.gz NEJLMDQMMHQKJX-QNSHHTMESA-N 1 1 302.260 -1.368 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001189250502 781838712 /nfs/dbraw/zinc/83/87/12/781838712.db2.gz GYGZTFVAWQVDEX-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)cn1 ZINC001189250502 781838718 /nfs/dbraw/zinc/83/87/18/781838718.db2.gz GYGZTFVAWQVDEX-NSHDSACASA-N 1 1 322.369 -1.310 20 0 DAADMO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479126 781841562 /nfs/dbraw/zinc/84/15/62/781841562.db2.gz CJHTYKXKFZTHRD-SNVBAGLBSA-N 1 1 305.400 -1.171 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479126 781841572 /nfs/dbraw/zinc/84/15/72/781841572.db2.gz CJHTYKXKFZTHRD-SNVBAGLBSA-N 1 1 305.400 -1.171 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001189470108 781842258 /nfs/dbraw/zinc/84/22/58/781842258.db2.gz CALIHIGSNCZKPQ-SNVBAGLBSA-N 1 1 309.326 -1.055 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001189470108 781842269 /nfs/dbraw/zinc/84/22/69/781842269.db2.gz CALIHIGSNCZKPQ-SNVBAGLBSA-N 1 1 309.326 -1.055 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189516293 781843451 /nfs/dbraw/zinc/84/34/51/781843451.db2.gz HBENWCAPNWFADR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189516293 781843454 /nfs/dbraw/zinc/84/34/54/781843454.db2.gz HBENWCAPNWFADR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccccn3)n[nH]2)[C@@H]2NCN[C@@H]21 ZINC001189479415 781843579 /nfs/dbraw/zinc/84/35/79/781843579.db2.gz KYGHJJUPKXAEML-UPJWGTAASA-N 1 1 314.353 -1.396 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480511 781845119 /nfs/dbraw/zinc/84/51/19/781845119.db2.gz LZOVIVSUGUZTGB-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189612560 781845713 /nfs/dbraw/zinc/84/57/13/781845713.db2.gz XWJLFVUTGHLRCP-NWDGAFQWSA-N 1 1 309.370 -1.143 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@@H]2NCN[C@H]21 ZINC001189534912 781846205 /nfs/dbraw/zinc/84/62/05/781846205.db2.gz NHERTKYPKIVGIQ-RNJXMRFFSA-N 1 1 305.264 -1.439 20 0 DAADMO Cn1nc(C(F)(F)F)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001189611080 781846816 /nfs/dbraw/zinc/84/68/16/781846816.db2.gz VOFDUQGSWGXPRM-HRDYMLBCSA-N 1 1 319.291 -1.428 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189640426 781847105 /nfs/dbraw/zinc/84/71/05/781847105.db2.gz AJRPLIYOGFRNTQ-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189640426 781847110 /nfs/dbraw/zinc/84/71/10/781847110.db2.gz AJRPLIYOGFRNTQ-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696447 781847210 /nfs/dbraw/zinc/84/72/10/781847210.db2.gz YRWHLRRJKIMEPI-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189717313 781848752 /nfs/dbraw/zinc/84/87/52/781848752.db2.gz PVPTTWFDENBDIM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189717313 781848760 /nfs/dbraw/zinc/84/87/60/781848760.db2.gz PVPTTWFDENBDIM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189705680 781849190 /nfs/dbraw/zinc/84/91/90/781849190.db2.gz JUQPVWGMOZJEPY-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001189705680 781849200 /nfs/dbraw/zinc/84/92/00/781849200.db2.gz JUQPVWGMOZJEPY-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733543 781849677 /nfs/dbraw/zinc/84/96/77/781849677.db2.gz BNKWXGLKXUAFPK-VHSXEESVSA-N 1 1 310.358 -1.349 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769324 781850330 /nfs/dbraw/zinc/85/03/30/781850330.db2.gz IHVPOMKKFZXBDT-LLVKDONJSA-N 1 1 324.385 -1.005 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769324 781850337 /nfs/dbraw/zinc/85/03/37/781850337.db2.gz IHVPOMKKFZXBDT-LLVKDONJSA-N 1 1 324.385 -1.005 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189705679 781850384 /nfs/dbraw/zinc/85/03/84/781850384.db2.gz JUQPVWGMOZJEPY-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189705679 781850390 /nfs/dbraw/zinc/85/03/90/781850390.db2.gz JUQPVWGMOZJEPY-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189706449 781850794 /nfs/dbraw/zinc/85/07/94/781850794.db2.gz NEVWBAXPTZGJRM-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001189759616 781851666 /nfs/dbraw/zinc/85/16/66/781851666.db2.gz ANVNJCWPTVMLBZ-JTQLQIEISA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001189759616 781851669 /nfs/dbraw/zinc/85/16/69/781851669.db2.gz ANVNJCWPTVMLBZ-JTQLQIEISA-N 1 1 306.326 -1.182 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189778453 781851681 /nfs/dbraw/zinc/85/16/81/781851681.db2.gz LEIADKQFZHAYCP-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189837889 781853382 /nfs/dbraw/zinc/85/33/82/781853382.db2.gz XARTWKYYOFQKSP-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189857394 781855461 /nfs/dbraw/zinc/85/54/61/781855461.db2.gz OCUCZSCLAUWIBX-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189857394 781855467 /nfs/dbraw/zinc/85/54/67/781855467.db2.gz OCUCZSCLAUWIBX-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001189956391 781856595 /nfs/dbraw/zinc/85/65/95/781856595.db2.gz OMDNVEKOVGPHEO-ZYHUDNBSSA-N 1 1 314.386 -1.008 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001189956391 781856605 /nfs/dbraw/zinc/85/66/05/781856605.db2.gz OMDNVEKOVGPHEO-ZYHUDNBSSA-N 1 1 314.386 -1.008 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001189918260 781856672 /nfs/dbraw/zinc/85/66/72/781856672.db2.gz RRWXDWSHPWLQAJ-GRYCIOLGSA-N 1 1 305.342 -1.827 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189856953 781857046 /nfs/dbraw/zinc/85/70/46/781857046.db2.gz HHBGOTDGQPZWAE-ZDEQEGDKSA-N 1 1 311.382 -1.195 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001189918262 781857411 /nfs/dbraw/zinc/85/74/11/781857411.db2.gz RRWXDWSHPWLQAJ-SRVKXCTJSA-N 1 1 305.342 -1.827 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190059451 781858925 /nfs/dbraw/zinc/85/89/25/781858925.db2.gz TXGBRFYXTPSZFQ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190059451 781858932 /nfs/dbraw/zinc/85/89/32/781858932.db2.gz TXGBRFYXTPSZFQ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001190101056 781858986 /nfs/dbraw/zinc/85/89/86/781858986.db2.gz PKCUQCLEPKMGEW-GARJFASQSA-N 1 1 309.370 -1.534 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189964685 781859275 /nfs/dbraw/zinc/85/92/75/781859275.db2.gz UCSQLZAYLLFHCL-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189964685 781859284 /nfs/dbraw/zinc/85/92/84/781859284.db2.gz UCSQLZAYLLFHCL-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190005334 781859318 /nfs/dbraw/zinc/85/93/18/781859318.db2.gz ZLVJHFKWJUVADH-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001190004837 781859718 /nfs/dbraw/zinc/85/97/18/781859718.db2.gz UGBKHIWCMDPGDU-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001189962032 781860217 /nfs/dbraw/zinc/86/02/17/781860217.db2.gz DSVUYXRDMKQTJU-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001189962032 781860226 /nfs/dbraw/zinc/86/02/26/781860226.db2.gz DSVUYXRDMKQTJU-QMMMGPOBSA-N 1 1 309.330 -1.844 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001189984690 781860315 /nfs/dbraw/zinc/86/03/15/781860315.db2.gz VASTXYGUZAAUMQ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001189984690 781860323 /nfs/dbraw/zinc/86/03/23/781860323.db2.gz VASTXYGUZAAUMQ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO COc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(OC)c1 ZINC001190148039 781860800 /nfs/dbraw/zinc/86/08/00/781860800.db2.gz HPWDWRVLEMAZGA-AGIUHOORSA-N 1 1 323.353 -1.458 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187809 781861122 /nfs/dbraw/zinc/86/11/22/781861122.db2.gz VTAVWAJZTVEFSN-PWSUYJOCSA-N 1 1 321.385 -1.127 20 0 DAADMO COc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(OC)c1 ZINC001190148043 781861320 /nfs/dbraw/zinc/86/13/20/781861320.db2.gz HPWDWRVLEMAZGA-FRRDWIJNSA-N 1 1 323.353 -1.458 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001190148741 781861683 /nfs/dbraw/zinc/86/16/83/781861683.db2.gz JJWDAMZZLULNEP-SDDRHHMPSA-N 1 1 323.397 -1.334 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001190108166 781861832 /nfs/dbraw/zinc/86/18/32/781861832.db2.gz PLZSDAZEXLHNAZ-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO COc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(OC)c1 ZINC001190148045 781862666 /nfs/dbraw/zinc/86/26/66/781862666.db2.gz HPWDWRVLEMAZGA-RWMBFGLXSA-N 1 1 323.353 -1.458 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187799 781862682 /nfs/dbraw/zinc/86/26/82/781862682.db2.gz VLWPAQHYAJSJGR-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187799 781862686 /nfs/dbraw/zinc/86/26/86/781862686.db2.gz VLWPAQHYAJSJGR-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(Cl)n1 ZINC001190102728 781862998 /nfs/dbraw/zinc/86/29/98/781862998.db2.gz IBASHHVDNDXORC-MIMYLULJSA-N 1 1 312.761 -1.124 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001190108167 781863138 /nfs/dbraw/zinc/86/31/38/781863138.db2.gz PLZSDAZEXLHNAZ-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001190227812 781863999 /nfs/dbraw/zinc/86/39/99/781863999.db2.gz RRMIINFEQWVDFY-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195336 781864603 /nfs/dbraw/zinc/86/46/03/781864603.db2.gz FMIMDHSTYNTCCF-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195336 781864611 /nfs/dbraw/zinc/86/46/11/781864611.db2.gz FMIMDHSTYNTCCF-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2ccnn2)[C@@H]2NCN[C@H]21 ZINC001190407552 781864897 /nfs/dbraw/zinc/86/48/97/781864897.db2.gz UKBKOOPMKPEUDI-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1 ZINC001190323061 781865152 /nfs/dbraw/zinc/86/51/52/781865152.db2.gz WLGFBEVQPWXTEA-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2nccn2)[C@H]2NCN[C@H]21 ZINC001190372465 781865368 /nfs/dbraw/zinc/86/53/68/781865368.db2.gz ISKLXBYGAJOWRA-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@@H]2NCN[C@@H]21 ZINC001190385898 781865484 /nfs/dbraw/zinc/86/54/84/781865484.db2.gz CJLOKMJVVHBJGU-PRJMDXOYSA-N 1 1 317.275 -1.372 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190379421 781865621 /nfs/dbraw/zinc/86/56/21/781865621.db2.gz CBDLCQPFFJYJEL-UWVGGRQHSA-N 1 1 323.357 -1.606 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001190340720 781865976 /nfs/dbraw/zinc/86/59/76/781865976.db2.gz HBYNCTYGUVYUMZ-NWDGAFQWSA-N 1 1 324.360 -1.104 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001190340720 781865982 /nfs/dbraw/zinc/86/59/82/781865982.db2.gz HBYNCTYGUVYUMZ-NWDGAFQWSA-N 1 1 324.360 -1.104 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190328776 781866373 /nfs/dbraw/zinc/86/63/73/781866373.db2.gz KOUSRXCJDHJESP-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190328776 781866380 /nfs/dbraw/zinc/86/63/80/781866380.db2.gz KOUSRXCJDHJESP-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001190482391 781866698 /nfs/dbraw/zinc/86/66/98/781866698.db2.gz BBAVJWCTHQYOQJ-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001190482391 781866703 /nfs/dbraw/zinc/86/67/03/781866703.db2.gz BBAVJWCTHQYOQJ-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190462162 781867019 /nfs/dbraw/zinc/86/70/19/781867019.db2.gz GSYJHNZLHGJXBP-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190462162 781867027 /nfs/dbraw/zinc/86/70/27/781867027.db2.gz GSYJHNZLHGJXBP-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001190500901 781867138 /nfs/dbraw/zinc/86/71/38/781867138.db2.gz BIDHFRWFWFDHJT-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190502299 781867504 /nfs/dbraw/zinc/86/75/04/781867504.db2.gz SFZUITYVDDRUEL-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190502299 781867509 /nfs/dbraw/zinc/86/75/09/781867509.db2.gz SFZUITYVDDRUEL-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190473033 781867752 /nfs/dbraw/zinc/86/77/52/781867752.db2.gz SAUVZDJGPAVGEX-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190462961 781867906 /nfs/dbraw/zinc/86/79/06/781867906.db2.gz PDWLGDKYUJFXTF-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190509071 781867969 /nfs/dbraw/zinc/86/79/69/781867969.db2.gz GYAQSAQHOWSSGS-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190509071 781867976 /nfs/dbraw/zinc/86/79/76/781867976.db2.gz GYAQSAQHOWSSGS-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001190473926 781868091 /nfs/dbraw/zinc/86/80/91/781868091.db2.gz OXNBSEJREYWENJ-WDEREUQCSA-N 1 1 320.353 -1.389 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001190473926 781868095 /nfs/dbraw/zinc/86/80/95/781868095.db2.gz OXNBSEJREYWENJ-WDEREUQCSA-N 1 1 320.353 -1.389 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190511920 781869123 /nfs/dbraw/zinc/86/91/23/781869123.db2.gz YCQPOFONCXTWOR-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190491257 781869190 /nfs/dbraw/zinc/86/91/90/781869190.db2.gz DMZAXJURFYRHMF-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190491257 781869196 /nfs/dbraw/zinc/86/91/96/781869196.db2.gz DMZAXJURFYRHMF-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001190511918 781869835 /nfs/dbraw/zinc/86/98/35/781869835.db2.gz YCQPOFONCXTWOR-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)C)C1 ZINC001190509742 781869893 /nfs/dbraw/zinc/86/98/93/781869893.db2.gz NKYWXHUBDZKYDI-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645254 781874718 /nfs/dbraw/zinc/87/47/18/781874718.db2.gz JSBWOSQRHBFEMY-QJPTWQEYSA-N 1 1 306.359 -2.182 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190645253 781874861 /nfs/dbraw/zinc/87/48/61/781874861.db2.gz JSBWOSQRHBFEMY-IJLUTSLNSA-N 1 1 306.359 -2.182 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001190651739 781875229 /nfs/dbraw/zinc/87/52/29/781875229.db2.gz NHLFHHXIPRKOKJ-YNEHKIRRSA-N 1 1 304.387 -1.172 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001190639124 781875742 /nfs/dbraw/zinc/87/57/42/781875742.db2.gz NWXCSGQJEHYMKX-QJPTWQEYSA-N 1 1 315.370 -2.223 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001190639124 781875753 /nfs/dbraw/zinc/87/57/53/781875753.db2.gz NWXCSGQJEHYMKX-QJPTWQEYSA-N 1 1 315.370 -2.223 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001190709370 781876965 /nfs/dbraw/zinc/87/69/65/781876965.db2.gz KGCFZLFCJYOKOQ-CHWSQXEVSA-N 1 1 324.385 -1.808 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1O ZINC001190709370 781876975 /nfs/dbraw/zinc/87/69/75/781876975.db2.gz KGCFZLFCJYOKOQ-CHWSQXEVSA-N 1 1 324.385 -1.808 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190709336 781877038 /nfs/dbraw/zinc/87/70/38/781877038.db2.gz JCJHICAJJYCWTE-VXGBXAGGSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190709336 781877048 /nfs/dbraw/zinc/87/70/48/781877048.db2.gz JCJHICAJJYCWTE-VXGBXAGGSA-N 1 1 303.359 -2.053 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001190692939 781878128 /nfs/dbraw/zinc/87/81/28/781878128.db2.gz MUUBJQLEBKDNOD-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)cc1=O ZINC001190734187 781879922 /nfs/dbraw/zinc/87/99/22/781879922.db2.gz ODNHNZXJNZUNRW-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001190785804 781881225 /nfs/dbraw/zinc/88/12/25/781881225.db2.gz GLYMLWWZWLZJNO-JMJZKYOTSA-N 1 1 312.326 -2.036 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001190787006 781881699 /nfs/dbraw/zinc/88/16/99/781881699.db2.gz VJXLIORLDSHCQG-HBNTYKKESA-N 1 1 302.327 -1.957 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCO2)C1 ZINC001190787005 781881753 /nfs/dbraw/zinc/88/17/53/781881753.db2.gz VJXLIORLDSHCQG-GMTAPVOTSA-N 1 1 302.327 -1.957 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190800290 781881776 /nfs/dbraw/zinc/88/17/76/781881776.db2.gz IQZTZMUWTJZBNC-VIFPVBQESA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001190800290 781881779 /nfs/dbraw/zinc/88/17/79/781881779.db2.gz IQZTZMUWTJZBNC-VIFPVBQESA-N 1 1 322.325 -1.477 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001190786375 781881804 /nfs/dbraw/zinc/88/18/04/781881804.db2.gz OAHWOBIKZMYUEB-GHMZBOCLSA-N 1 1 312.326 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001190786375 781881812 /nfs/dbraw/zinc/88/18/12/781881812.db2.gz OAHWOBIKZMYUEB-GHMZBOCLSA-N 1 1 312.326 -2.034 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837490 781883297 /nfs/dbraw/zinc/88/32/97/781883297.db2.gz OWYXXAHEBMGIEM-QMMMGPOBSA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837490 781883306 /nfs/dbraw/zinc/88/33/06/781883306.db2.gz OWYXXAHEBMGIEM-QMMMGPOBSA-N 1 1 322.325 -1.477 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001190895594 781884583 /nfs/dbraw/zinc/88/45/83/781884583.db2.gz WKWCKUKMWNAIBT-YUSALJHKSA-N 1 1 310.358 -2.036 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001190895594 781884592 /nfs/dbraw/zinc/88/45/92/781884592.db2.gz WKWCKUKMWNAIBT-YUSALJHKSA-N 1 1 310.358 -2.036 20 0 DAADMO CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885162 /nfs/dbraw/zinc/88/51/62/781885162.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190890052 781885172 /nfs/dbraw/zinc/88/51/72/781885172.db2.gz NTHJLJVJLAFMSB-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001190895136 781885283 /nfs/dbraw/zinc/88/52/83/781885283.db2.gz QXORJVWCWWSMGY-ZLKJLUDKSA-N 1 1 323.397 -1.352 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922249 781886559 /nfs/dbraw/zinc/88/65/59/781886559.db2.gz GLSSCMBYPCZVQY-QJPTWQEYSA-N 1 1 315.370 -2.223 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001190921720 781886885 /nfs/dbraw/zinc/88/68/85/781886885.db2.gz DDAUELUOTAHQIH-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001190921720 781886897 /nfs/dbraw/zinc/88/68/97/781886897.db2.gz DDAUELUOTAHQIH-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001190921638 781887005 /nfs/dbraw/zinc/88/70/05/781887005.db2.gz BRQCSSDYAZKUJZ-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001190921638 781887017 /nfs/dbraw/zinc/88/70/17/781887017.db2.gz BRQCSSDYAZKUJZ-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190923208 781887539 /nfs/dbraw/zinc/88/75/39/781887539.db2.gz UVFVMLWHGBIULH-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001190970202 781889538 /nfs/dbraw/zinc/88/95/38/781889538.db2.gz ZMJROXYQDXLUMX-CHWSQXEVSA-N 1 1 322.365 -1.492 20 0 DAADMO CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001190977677 781889601 /nfs/dbraw/zinc/88/96/01/781889601.db2.gz LTVRSATYVQCAOL-GMTAPVOTSA-N 1 1 314.386 -1.369 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190968832 781889736 /nfs/dbraw/zinc/88/97/36/781889736.db2.gz IRPATXPIABETDB-GHMZBOCLSA-N 1 1 310.358 -2.208 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001190977128 781889804 /nfs/dbraw/zinc/88/98/04/781889804.db2.gz DWUODXXMBDUZQH-GHMZBOCLSA-N 1 1 300.359 -1.757 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977527 781890159 /nfs/dbraw/zinc/89/01/59/781890159.db2.gz KJWBJBOCPWCFRI-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001190989883 781890442 /nfs/dbraw/zinc/89/04/42/781890442.db2.gz VOBUEKWDYDRPGN-LLVKDONJSA-N 1 1 300.359 -2.236 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981238 781890465 /nfs/dbraw/zinc/89/04/65/781890465.db2.gz KXOIAFUXLLPBNL-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190981238 781890473 /nfs/dbraw/zinc/89/04/73/781890473.db2.gz KXOIAFUXLLPBNL-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)O)C1 ZINC001190988485 781890715 /nfs/dbraw/zinc/89/07/15/781890715.db2.gz FAQNPILJBZJKLZ-ZYHUDNBSSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190978345 781891695 /nfs/dbraw/zinc/89/16/95/781891695.db2.gz VUBZQHZZRVSXGP-GHMZBOCLSA-N 1 1 302.375 -1.369 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190989525 781891728 /nfs/dbraw/zinc/89/17/28/781891728.db2.gz PRNDXJRQCNBSNR-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953081 781893355 /nfs/dbraw/zinc/89/33/55/781893355.db2.gz ZCYCFYJEEXMATN-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953081 781893366 /nfs/dbraw/zinc/89/33/66/781893366.db2.gz ZCYCFYJEEXMATN-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191079460 781895205 /nfs/dbraw/zinc/89/52/05/781895205.db2.gz ADZXREGSBUEVTF-MRVPVSSYSA-N 1 1 306.313 -1.354 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191079460 781895209 /nfs/dbraw/zinc/89/52/09/781895209.db2.gz ADZXREGSBUEVTF-MRVPVSSYSA-N 1 1 306.313 -1.354 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cnn1C ZINC001191011983 781896048 /nfs/dbraw/zinc/89/60/48/781896048.db2.gz QEVSZHVCKDXBQJ-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cnn1C ZINC001191011983 781896058 /nfs/dbraw/zinc/89/60/58/781896058.db2.gz QEVSZHVCKDXBQJ-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001191122066 781896902 /nfs/dbraw/zinc/89/69/02/781896902.db2.gz WQROODPLSWOZEC-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001191122068 781896934 /nfs/dbraw/zinc/89/69/34/781896934.db2.gz WQROODPLSWOZEC-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191117710 781897619 /nfs/dbraw/zinc/89/76/19/781897619.db2.gz AAZXBQVRKQFLET-SECBINFHSA-N 1 1 316.387 -1.500 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191117710 781897627 /nfs/dbraw/zinc/89/76/27/781897627.db2.gz AAZXBQVRKQFLET-SECBINFHSA-N 1 1 316.387 -1.500 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090930 781899411 /nfs/dbraw/zinc/89/94/11/781899411.db2.gz GNSCYBJNBJSADU-VIFPVBQESA-N 1 1 320.340 -1.011 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090930 781899422 /nfs/dbraw/zinc/89/94/22/781899422.db2.gz GNSCYBJNBJSADU-VIFPVBQESA-N 1 1 320.340 -1.011 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1COCCO1 ZINC001191170189 781901736 /nfs/dbraw/zinc/90/17/36/781901736.db2.gz SUERALGNORQZCR-MCIONIFRSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1COCCO1 ZINC001191170189 781901742 /nfs/dbraw/zinc/90/17/42/781901742.db2.gz SUERALGNORQZCR-MCIONIFRSA-N 1 1 314.382 -1.010 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191189197 781902531 /nfs/dbraw/zinc/90/25/31/781902531.db2.gz UKSHHOJKORESIP-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191189197 781902542 /nfs/dbraw/zinc/90/25/42/781902542.db2.gz UKSHHOJKORESIP-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC(C)C)C1 ZINC001191218481 781903171 /nfs/dbraw/zinc/90/31/71/781903171.db2.gz WSMZPEFXMCVVGJ-YNEHKIRRSA-N 1 1 304.387 -1.030 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001191185576 781903227 /nfs/dbraw/zinc/90/32/27/781903227.db2.gz KRKWSTLVPLLDJQ-GHMZBOCLSA-N 1 1 323.340 -1.092 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001191185576 781903233 /nfs/dbraw/zinc/90/32/33/781903233.db2.gz KRKWSTLVPLLDJQ-GHMZBOCLSA-N 1 1 323.340 -1.092 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191187781 781903295 /nfs/dbraw/zinc/90/32/95/781903295.db2.gz FTWMDOORSFJHSW-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191287361 781904216 /nfs/dbraw/zinc/90/42/16/781904216.db2.gz QOEGRPSDRXMFRV-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191287897 781904243 /nfs/dbraw/zinc/90/42/43/781904243.db2.gz XIBCDIPKRSGPLN-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191287894 781904559 /nfs/dbraw/zinc/90/45/59/781904559.db2.gz XIBCDIPKRSGPLN-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191307196 781906999 /nfs/dbraw/zinc/90/69/99/781906999.db2.gz HHEHBJBGQPCVMD-FXBDTBDDSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191307196 781907007 /nfs/dbraw/zinc/90/70/07/781907007.db2.gz HHEHBJBGQPCVMD-FXBDTBDDSA-N 1 1 302.356 -1.680 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191355007 781907146 /nfs/dbraw/zinc/90/71/46/781907146.db2.gz AUPIWEOLEUAZRS-GHMZBOCLSA-N 1 1 311.342 -1.600 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126187 781907811 /nfs/dbraw/zinc/90/78/11/781907811.db2.gz JPIUDYZREQONSY-KZVDOYCCSA-N 1 1 312.414 -1.125 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001191391580 781908897 /nfs/dbraw/zinc/90/88/97/781908897.db2.gz BHESZJGCKDCSKY-VXGBXAGGSA-N 1 1 315.370 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001191384195 781908951 /nfs/dbraw/zinc/90/89/51/781908951.db2.gz PMCOCLNTQLHKID-IJLUTSLNSA-N 1 1 315.370 -1.070 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001191377099 781909946 /nfs/dbraw/zinc/90/99/46/781909946.db2.gz MVCQEWQITQOKOR-CYZMBNFOSA-N 1 1 312.370 -1.489 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191515829 781913507 /nfs/dbraw/zinc/91/35/07/781913507.db2.gz YCVMGSOUCVHYNO-MRVPVSSYSA-N 1 1 322.312 -1.004 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191515829 781913515 /nfs/dbraw/zinc/91/35/15/781913515.db2.gz YCVMGSOUCVHYNO-MRVPVSSYSA-N 1 1 322.312 -1.004 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191466006 781913803 /nfs/dbraw/zinc/91/38/03/781913803.db2.gz HOSDRSYOIMOQOP-QJPTWQEYSA-N 1 1 317.386 -1.929 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001191543496 781914300 /nfs/dbraw/zinc/91/43/00/781914300.db2.gz OJFQWHZOHOMNFM-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)S(N)(=O)=O ZINC001191552939 781914747 /nfs/dbraw/zinc/91/47/47/781914747.db2.gz XXWIRNRWQZIFTK-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)COC)C1 ZINC001191553116 781915189 /nfs/dbraw/zinc/91/51/89/781915189.db2.gz ZBLSNOBHKDTEGK-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550591 781915217 /nfs/dbraw/zinc/91/52/17/781915217.db2.gz CYILVOXSVUKROO-UWVGGRQHSA-N 1 1 320.415 -1.538 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550591 781915222 /nfs/dbraw/zinc/91/52/22/781915222.db2.gz CYILVOXSVUKROO-UWVGGRQHSA-N 1 1 320.415 -1.538 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001191561754 781915844 /nfs/dbraw/zinc/91/58/44/781915844.db2.gz SYJSNDGACNKXET-LLVKDONJSA-N 1 1 304.416 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001191560850 781916002 /nfs/dbraw/zinc/91/60/02/781916002.db2.gz IIZIHOYRXUTQFX-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191613888 781916604 /nfs/dbraw/zinc/91/66/04/781916604.db2.gz BBCFSIWJFMOHHC-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191613888 781916607 /nfs/dbraw/zinc/91/66/07/781916607.db2.gz BBCFSIWJFMOHHC-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001191561755 781916966 /nfs/dbraw/zinc/91/69/66/781916966.db2.gz SYJSNDGACNKXET-NSHDSACASA-N 1 1 304.416 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)OC)C1 ZINC001191561995 781917217 /nfs/dbraw/zinc/91/72/17/781917217.db2.gz WVCXBQITDSXNOX-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191660043 781918021 /nfs/dbraw/zinc/91/80/21/781918021.db2.gz SZECGINMJPJHOP-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191660043 781918027 /nfs/dbraw/zinc/91/80/27/781918027.db2.gz SZECGINMJPJHOP-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191718356 781918352 /nfs/dbraw/zinc/91/83/52/781918352.db2.gz DRCWJPNOYVUPHS-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191718356 781918359 /nfs/dbraw/zinc/91/83/59/781918359.db2.gz DRCWJPNOYVUPHS-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1=COCCC1 ZINC001191659465 781918461 /nfs/dbraw/zinc/91/84/61/781918461.db2.gz NQGCQJXQKKORLF-CHWSQXEVSA-N 1 1 300.355 -1.149 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1=COCCC1 ZINC001191659465 781918469 /nfs/dbraw/zinc/91/84/69/781918469.db2.gz NQGCQJXQKKORLF-CHWSQXEVSA-N 1 1 300.355 -1.149 20 0 DAADMO CC(C)(O)CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001377528342 921831275 /nfs/dbraw/zinc/83/12/75/921831275.db2.gz WISOQEKQCHTRNY-UHFFFAOYSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001377528342 921831290 /nfs/dbraw/zinc/83/12/90/921831290.db2.gz WISOQEKQCHTRNY-UHFFFAOYSA-N 1 1 300.359 -1.077 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC ZINC001377653755 921847156 /nfs/dbraw/zinc/84/71/56/921847156.db2.gz VKPUSBDNHMBYCG-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[NH2+]Cc2cn(C)nn2)c(=O)n1C ZINC001376861689 921738406 /nfs/dbraw/zinc/73/84/06/921738406.db2.gz BWRTWYWTDCQCCS-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001376879534 921741280 /nfs/dbraw/zinc/74/12/80/921741280.db2.gz HAIZUYKGRBYPRI-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NCc2nnnn2C)C1 ZINC001376892600 921743041 /nfs/dbraw/zinc/74/30/41/921743041.db2.gz UDXOMQPYKXMHKY-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NCc2nnnn2C)C1 ZINC001376892600 921743055 /nfs/dbraw/zinc/74/30/55/921743055.db2.gz UDXOMQPYKXMHKY-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC001376877626 921743552 /nfs/dbraw/zinc/74/35/52/921743552.db2.gz ZWQJUWIRHJTADG-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001376935952 921750275 /nfs/dbraw/zinc/75/02/75/921750275.db2.gz LVQFTFSRYAWHDI-SECBINFHSA-N 1 1 308.342 -1.415 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001376943434 921752839 /nfs/dbraw/zinc/75/28/39/921752839.db2.gz TYZICYDKKCQIDY-UHFFFAOYSA-N 1 1 312.370 -1.680 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001376970840 921754544 /nfs/dbraw/zinc/75/45/44/921754544.db2.gz ATGXDVGLKDNLTN-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1cnc[nH]1 ZINC001376996650 921754775 /nfs/dbraw/zinc/75/47/75/921754775.db2.gz OZDBGIOFVBDVEU-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)Cn1ncn2nccc2c1=O ZINC001376993406 921754905 /nfs/dbraw/zinc/75/49/05/921754905.db2.gz XDWQHBUAKJUKBT-UHFFFAOYSA-N 1 1 322.369 -1.336 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001376979627 921755050 /nfs/dbraw/zinc/75/50/50/921755050.db2.gz IETMHCLPSVWNGY-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001376979627 921755060 /nfs/dbraw/zinc/75/50/60/921755060.db2.gz IETMHCLPSVWNGY-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376999600 921755256 /nfs/dbraw/zinc/75/52/56/921755256.db2.gz KPPUUDYPXWSJTA-GMTAPVOTSA-N 1 1 324.385 -1.055 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001376975910 921755817 /nfs/dbraw/zinc/75/58/17/921755817.db2.gz JKXDFLJIYZMCAC-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001376986885 921755937 /nfs/dbraw/zinc/75/59/37/921755937.db2.gz RTVJPKVMTBPVIE-QJPTWQEYSA-N 1 1 316.402 -1.027 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001376990895 921756156 /nfs/dbraw/zinc/75/61/56/921756156.db2.gz ZYJVGMIPDANIRG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001376990895 921756173 /nfs/dbraw/zinc/75/61/73/921756173.db2.gz ZYJVGMIPDANIRG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1nn(CC(=O)N(C)CCC[N@@H+](C)CC(N)=O)c(=O)n1C ZINC001377010624 921756962 /nfs/dbraw/zinc/75/69/62/921756962.db2.gz NNRAHYIDEKGLFV-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO C[C@H](CCNC(=O)CCn1ccnn1)[NH2+]Cc1nnn(C)n1 ZINC001377022891 921757877 /nfs/dbraw/zinc/75/78/77/921757877.db2.gz YYHGUORAPLWIDX-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC001377108981 921765151 /nfs/dbraw/zinc/76/51/51/921765151.db2.gz JADILNNJRLIYLM-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(C)=O ZINC001377109022 921765940 /nfs/dbraw/zinc/76/59/40/921765940.db2.gz JPAXRFOSXVCKLL-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001377109022 921765950 /nfs/dbraw/zinc/76/59/50/921765950.db2.gz JPAXRFOSXVCKLL-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncn(C)c1=O ZINC001377117993 921766289 /nfs/dbraw/zinc/76/62/89/921766289.db2.gz SHMHLIVMKIQLPE-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001377108978 921766331 /nfs/dbraw/zinc/76/63/31/921766331.db2.gz JADILNNJRLIYLM-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001377111427 921766617 /nfs/dbraw/zinc/76/66/17/921766617.db2.gz YTSDJXUUWIZHKL-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001377111427 921766635 /nfs/dbraw/zinc/76/66/35/921766635.db2.gz YTSDJXUUWIZHKL-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cccn1 ZINC001377116993 921767306 /nfs/dbraw/zinc/76/73/06/921767306.db2.gz JYEDQFFQWHBRTC-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cccn1 ZINC001377116993 921767314 /nfs/dbraw/zinc/76/73/14/921767314.db2.gz JYEDQFFQWHBRTC-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@@H]1COCCO1)S(C)(=O)=O ZINC001377124972 921768426 /nfs/dbraw/zinc/76/84/26/921768426.db2.gz BANYYGAQULSQLR-NSHDSACASA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@@H]1COCCO1)S(C)(=O)=O ZINC001377124972 921768439 /nfs/dbraw/zinc/76/84/39/921768439.db2.gz BANYYGAQULSQLR-NSHDSACASA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1ccnn1C)S(C)(=O)=O ZINC001377128006 921769310 /nfs/dbraw/zinc/76/93/10/921769310.db2.gz KNJPGFVZKMTGGC-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1ccnn1C)S(C)(=O)=O ZINC001377128006 921769323 /nfs/dbraw/zinc/76/93/23/921769323.db2.gz KNJPGFVZKMTGGC-UHFFFAOYSA-N 1 1 317.415 -1.027 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377118421 921770304 /nfs/dbraw/zinc/77/03/04/921770304.db2.gz SGOBDCRBQBVOCE-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377118421 921770313 /nfs/dbraw/zinc/77/03/13/921770313.db2.gz SGOBDCRBQBVOCE-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377149377 921771757 /nfs/dbraw/zinc/77/17/57/921771757.db2.gz FYCKHVOUZPYYFL-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001377149377 921771772 /nfs/dbraw/zinc/77/17/72/921771772.db2.gz FYCKHVOUZPYYFL-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CCNS(C)(=O)=O ZINC001377144978 921772067 /nfs/dbraw/zinc/77/20/67/921772067.db2.gz SQOFPUJVPIFVDH-JTQLQIEISA-N 1 1 321.399 -1.463 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CCNS(C)(=O)=O ZINC001377144978 921772077 /nfs/dbraw/zinc/77/20/77/921772077.db2.gz SQOFPUJVPIFVDH-JTQLQIEISA-N 1 1 321.399 -1.463 20 0 DAADMO C[N@H+](CCNC(=O)c1cccc(=O)[nH]1)CCNS(C)(=O)=O ZINC001377143102 921772566 /nfs/dbraw/zinc/77/25/66/921772566.db2.gz WELQLQXGIPCTIG-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccc(=O)[nH]1)CCNS(C)(=O)=O ZINC001377143102 921772587 /nfs/dbraw/zinc/77/25/87/921772587.db2.gz WELQLQXGIPCTIG-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001377163890 921778008 /nfs/dbraw/zinc/77/80/08/921778008.db2.gz TXYRPOJZLIJKGZ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)c1ccncc1 ZINC001377163890 921778017 /nfs/dbraw/zinc/77/80/17/921778017.db2.gz TXYRPOJZLIJKGZ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001377162617 921778064 /nfs/dbraw/zinc/77/80/64/921778064.db2.gz QAYGUJBLFUQBOC-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001377162617 921778072 /nfs/dbraw/zinc/77/80/72/921778072.db2.gz QAYGUJBLFUQBOC-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO Cn1nccc1CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377162887 921778193 /nfs/dbraw/zinc/77/81/93/921778193.db2.gz BXASZCHMPPNALO-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO Cn1nccc1CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377162887 921778200 /nfs/dbraw/zinc/77/82/00/921778200.db2.gz BXASZCHMPPNALO-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001377182653 921778892 /nfs/dbraw/zinc/77/88/92/921778892.db2.gz SFJDYFUMKXCJIF-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001377182653 921778901 /nfs/dbraw/zinc/77/89/01/921778901.db2.gz SFJDYFUMKXCJIF-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO COc1cnc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nc1 ZINC001377186690 921779266 /nfs/dbraw/zinc/77/92/66/921779266.db2.gz FIHARHBADVMYLD-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO COc1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nc1 ZINC001377186690 921779273 /nfs/dbraw/zinc/77/92/73/921779273.db2.gz FIHARHBADVMYLD-UHFFFAOYSA-N 1 1 310.314 -1.658 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001377178063 921779698 /nfs/dbraw/zinc/77/96/98/921779698.db2.gz CQVBNWIBXCLHCV-MRVPVSSYSA-N 1 1 301.347 -2.840 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001377178063 921779713 /nfs/dbraw/zinc/77/97/13/921779713.db2.gz CQVBNWIBXCLHCV-MRVPVSSYSA-N 1 1 301.347 -2.840 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001377182643 921781237 /nfs/dbraw/zinc/78/12/37/921781237.db2.gz SFJDYFUMKXCJIF-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001377182643 921781245 /nfs/dbraw/zinc/78/12/45/921781245.db2.gz SFJDYFUMKXCJIF-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO Cc1ncc(C[N@H+](C)CCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001377207118 921782485 /nfs/dbraw/zinc/78/24/85/921782485.db2.gz SKHIRNLINDWMOP-UHFFFAOYSA-N 1 1 320.397 -1.235 20 0 DAADMO Cc1ncc(C[N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001377207118 921782493 /nfs/dbraw/zinc/78/24/93/921782493.db2.gz SKHIRNLINDWMOP-UHFFFAOYSA-N 1 1 320.397 -1.235 20 0 DAADMO C[C@H]([NH2+]CC1(NC(=O)Cc2nnc[nH]2)CCOCC1)C(N)=O ZINC001377204168 921783218 /nfs/dbraw/zinc/78/32/18/921783218.db2.gz IJMPRGBCYPKNCM-VIFPVBQESA-N 1 1 310.358 -1.524 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001377205726 921783909 /nfs/dbraw/zinc/78/39/09/921783909.db2.gz LOZVXSXBPYGWPC-UHFFFAOYSA-N 1 1 312.330 -1.757 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001377205726 921783923 /nfs/dbraw/zinc/78/39/23/921783923.db2.gz LOZVXSXBPYGWPC-UHFFFAOYSA-N 1 1 312.330 -1.757 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001377216975 921783967 /nfs/dbraw/zinc/78/39/67/921783967.db2.gz VRBXLBOVPHSHLW-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001377216975 921783982 /nfs/dbraw/zinc/78/39/82/921783982.db2.gz VRBXLBOVPHSHLW-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377201651 921784071 /nfs/dbraw/zinc/78/40/71/921784071.db2.gz WLXXYEZBZJWHMY-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1ncn(C)c1=O ZINC001377201651 921784090 /nfs/dbraw/zinc/78/40/90/921784090.db2.gz WLXXYEZBZJWHMY-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377205337 921784230 /nfs/dbraw/zinc/78/42/30/921784230.db2.gz JFAOSSSGSPMWHP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001377205222 921785303 /nfs/dbraw/zinc/78/53/03/921785303.db2.gz HMDMIXWHZSCIGY-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001377205222 921785321 /nfs/dbraw/zinc/78/53/21/921785321.db2.gz HMDMIXWHZSCIGY-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001377216979 921785491 /nfs/dbraw/zinc/78/54/91/921785491.db2.gz VRBXLBOVPHSHLW-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001377216979 921785503 /nfs/dbraw/zinc/78/55/03/921785503.db2.gz VRBXLBOVPHSHLW-ZJUUUORDSA-N 1 1 308.386 -1.158 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377210012 921785639 /nfs/dbraw/zinc/78/56/39/921785639.db2.gz CNTNWKYTUVPLJE-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001377226880 921787444 /nfs/dbraw/zinc/78/74/44/921787444.db2.gz VWHPIMVOBGZXGL-WOPDTQHZSA-N 1 1 301.387 -1.057 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377233199 921789806 /nfs/dbraw/zinc/78/98/06/921789806.db2.gz SDVCCBJYWHVDBH-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001377233199 921789814 /nfs/dbraw/zinc/78/98/14/921789814.db2.gz SDVCCBJYWHVDBH-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001377253571 921790591 /nfs/dbraw/zinc/79/05/91/921790591.db2.gz VGPRWWARBPMAKP-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001377237156 921790942 /nfs/dbraw/zinc/79/09/42/921790942.db2.gz LNVIFDDDRULZPD-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001377237156 921790953 /nfs/dbraw/zinc/79/09/53/921790953.db2.gz LNVIFDDDRULZPD-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)nn21 ZINC001377250880 921791673 /nfs/dbraw/zinc/79/16/73/921791673.db2.gz LCZHAJBRQOSBDM-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)nn21 ZINC001377250880 921791683 /nfs/dbraw/zinc/79/16/83/921791683.db2.gz LCZHAJBRQOSBDM-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001377237151 921792443 /nfs/dbraw/zinc/79/24/43/921792443.db2.gz LNVIFDDDRULZPD-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001377237151 921792456 /nfs/dbraw/zinc/79/24/56/921792456.db2.gz LNVIFDDDRULZPD-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)CS(=O)(=O)NC)C1=O ZINC001377267651 921795971 /nfs/dbraw/zinc/79/59/71/921795971.db2.gz TXSVDALNRMOULZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CS(=O)(=O)NC)C1=O ZINC001377267651 921795982 /nfs/dbraw/zinc/79/59/82/921795982.db2.gz TXSVDALNRMOULZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)c1cccc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)n1 ZINC001377256378 921796270 /nfs/dbraw/zinc/79/62/70/921796270.db2.gz QDWOHCAWUHLVCY-GFCCVEGCSA-N 1 1 319.365 -1.009 20 0 DAADMO CNC(=O)c1cccc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC001377256378 921796282 /nfs/dbraw/zinc/79/62/82/921796282.db2.gz QDWOHCAWUHLVCY-GFCCVEGCSA-N 1 1 319.365 -1.009 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CCn1cnnn1 ZINC001377262288 921796522 /nfs/dbraw/zinc/79/65/22/921796522.db2.gz YVNFNKLKIWRFKR-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001377286897 921798350 /nfs/dbraw/zinc/79/83/50/921798350.db2.gz LDPDOPAPFARFCE-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001377286897 921798365 /nfs/dbraw/zinc/79/83/65/921798365.db2.gz LDPDOPAPFARFCE-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO CCOc1cnc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001377275530 921799548 /nfs/dbraw/zinc/79/95/48/921799548.db2.gz NTIKWRYYHCSOIR-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CCOc1cnc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001377275530 921799563 /nfs/dbraw/zinc/79/95/63/921799563.db2.gz NTIKWRYYHCSOIR-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C[C@@H](O)COC ZINC001377294666 921801164 /nfs/dbraw/zinc/80/11/64/921801164.db2.gz NOTCVWKITFLLMB-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)C[C@@H](O)COC ZINC001377310883 921801664 /nfs/dbraw/zinc/80/16/64/921801664.db2.gz OTNRBFLLFZZMSU-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)N(C)C ZINC001377313893 921802323 /nfs/dbraw/zinc/80/23/23/921802323.db2.gz HLPKXAXVPOOHHV-UHFFFAOYSA-N 1 1 309.370 -1.080 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)N(C)C ZINC001377313893 921802335 /nfs/dbraw/zinc/80/23/35/921802335.db2.gz HLPKXAXVPOOHHV-UHFFFAOYSA-N 1 1 309.370 -1.080 20 0 DAADMO CNC(=O)c1ccc(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001377300742 921802361 /nfs/dbraw/zinc/80/23/61/921802361.db2.gz NYBNCMIPUXXBTK-GFCCVEGCSA-N 1 1 319.365 -1.009 20 0 DAADMO CNC(=O)c1ccc(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001377300742 921802369 /nfs/dbraw/zinc/80/23/69/921802369.db2.gz NYBNCMIPUXXBTK-GFCCVEGCSA-N 1 1 319.365 -1.009 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnc[nH]c1=O)CC(=O)NC(=O)NC ZINC001377310918 921802764 /nfs/dbraw/zinc/80/27/64/921802764.db2.gz QSWNDVRADZTHQM-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnc[nH]c1=O)CC(=O)NC(=O)NC ZINC001377310918 921802776 /nfs/dbraw/zinc/80/27/76/921802776.db2.gz QSWNDVRADZTHQM-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COC ZINC001377325518 921802856 /nfs/dbraw/zinc/80/28/56/921802856.db2.gz MGIJDKFFHSRASX-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COC ZINC001377325518 921802871 /nfs/dbraw/zinc/80/28/71/921802871.db2.gz MGIJDKFFHSRASX-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001377335367 921806176 /nfs/dbraw/zinc/80/61/76/921806176.db2.gz AFWTWMNYLDDIDW-QWRGUYRKSA-N 1 1 321.385 -1.115 20 0 DAADMO CC[N@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NC(=O)NC ZINC001377344249 921806767 /nfs/dbraw/zinc/80/67/67/921806767.db2.gz SSLPLTJNVIJGLH-UHFFFAOYSA-N 1 1 312.334 -2.283 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CC(=O)NC(=O)NC ZINC001377344249 921806779 /nfs/dbraw/zinc/80/67/79/921806779.db2.gz SSLPLTJNVIJGLH-UHFFFAOYSA-N 1 1 312.334 -2.283 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@H]1CCNC1=O ZINC001377348560 921806840 /nfs/dbraw/zinc/80/68/40/921806840.db2.gz BIXIKDJNJFKNNV-LBPRGKRZSA-N 1 1 321.381 -1.040 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001377380463 921807929 /nfs/dbraw/zinc/80/79/29/921807929.db2.gz RETXTQWLYISNQQ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001377380463 921807939 /nfs/dbraw/zinc/80/79/39/921807939.db2.gz RETXTQWLYISNQQ-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001377380467 921808422 /nfs/dbraw/zinc/80/84/22/921808422.db2.gz RETXTQWLYISNQQ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001377380467 921808433 /nfs/dbraw/zinc/80/84/33/921808433.db2.gz RETXTQWLYISNQQ-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)C[C@@H](C)O ZINC001377355299 921809323 /nfs/dbraw/zinc/80/93/23/921809323.db2.gz MBMNRTPPVJMCGG-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)N1CCC1 ZINC001377345680 921805038 /nfs/dbraw/zinc/80/50/38/921805038.db2.gz ZFVPNLLDZSUCOE-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)N1CCC1 ZINC001377345680 921805053 /nfs/dbraw/zinc/80/50/53/921805053.db2.gz ZFVPNLLDZSUCOE-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001377335357 921805265 /nfs/dbraw/zinc/80/52/65/921805265.db2.gz AFWTWMNYLDDIDW-MNOVXSKESA-N 1 1 321.385 -1.115 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001377380471 921809961 /nfs/dbraw/zinc/80/99/61/921809961.db2.gz RETXTQWLYISNQQ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001377380471 921809973 /nfs/dbraw/zinc/80/99/73/921809973.db2.gz RETXTQWLYISNQQ-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000971489678 916086786 /nfs/dbraw/zinc/08/67/86/916086786.db2.gz OSGIZDORNZXVDC-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000971489677 916087618 /nfs/dbraw/zinc/08/76/18/916087618.db2.gz OSGIZDORNZXVDC-VHSXEESVSA-N 1 1 320.353 -1.233 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974379186 916089210 /nfs/dbraw/zinc/08/92/10/916089210.db2.gz HPKKOWWXJQXNFS-AXFHLTTASA-N 1 1 312.370 -1.656 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974379186 916089229 /nfs/dbraw/zinc/08/92/29/916089229.db2.gz HPKKOWWXJQXNFS-AXFHLTTASA-N 1 1 312.370 -1.656 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974392822 916090718 /nfs/dbraw/zinc/09/07/18/916090718.db2.gz KREJCHNALZFWPI-WISYIIOYSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)n1 ZINC000987188190 916092808 /nfs/dbraw/zinc/09/28/08/916092808.db2.gz YHBQHGGDOITORB-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCOCC2=O)CC1 ZINC001003033870 916094895 /nfs/dbraw/zinc/09/48/95/916094895.db2.gz USFFVIFMRCAQTN-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)Cn3cnnn3)CC2)n1 ZINC001026450234 916098042 /nfs/dbraw/zinc/09/80/42/916098042.db2.gz OWIRRXHOYOMMRY-UHFFFAOYSA-N 1 1 320.361 -1.586 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001033087918 916098911 /nfs/dbraw/zinc/09/89/11/916098911.db2.gz QZSDWQYDMGQORC-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033087918 916098926 /nfs/dbraw/zinc/09/89/26/916098926.db2.gz QZSDWQYDMGQORC-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001033087920 916099027 /nfs/dbraw/zinc/09/90/27/916099027.db2.gz QZSDWQYDMGQORC-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001033087920 916099045 /nfs/dbraw/zinc/09/90/45/916099045.db2.gz QZSDWQYDMGQORC-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)N(C(C)=O)C1 ZINC001083674214 916106398 /nfs/dbraw/zinc/10/63/98/916106398.db2.gz RMBXMIVWBZXUGE-LOWDOPEQSA-N 1 1 315.370 -2.224 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)N(C(C)=O)C1 ZINC001083674214 916106415 /nfs/dbraw/zinc/10/64/15/916106415.db2.gz RMBXMIVWBZXUGE-LOWDOPEQSA-N 1 1 315.370 -2.224 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001098555120 916113287 /nfs/dbraw/zinc/11/32/87/916113287.db2.gz FYNYSCMCIDAZTP-UHFFFAOYSA-N 1 1 310.358 -1.951 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)Cc2nc[nH]n2)C1 ZINC001100851794 916113697 /nfs/dbraw/zinc/11/36/97/916113697.db2.gz GNBKDNFVZLSNOX-UHFFFAOYSA-N 1 1 305.346 -1.445 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(C)=O)C2)nn1 ZINC001105146569 916115061 /nfs/dbraw/zinc/11/50/61/916115061.db2.gz GWMABVVGUBZBFV-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105169927 916119152 /nfs/dbraw/zinc/11/91/52/916119152.db2.gz PIMWVFSTSSSXNA-UHFFFAOYSA-N 1 1 310.358 -1.778 20 0 DAADMO CCC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCOC)nn2)C1 ZINC001105192816 916120867 /nfs/dbraw/zinc/12/08/67/916120867.db2.gz XIVODFMXZXSRDF-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105188347 916122571 /nfs/dbraw/zinc/12/25/71/916122571.db2.gz YNJCCVHOLBSACE-VXGBXAGGSA-N 1 1 323.353 -1.448 20 0 DAADMO CCNC(=O)CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105219534 916125646 /nfs/dbraw/zinc/12/56/46/916125646.db2.gz DSTIPQWHAAUEPK-UHFFFAOYSA-N 1 1 310.358 -1.731 20 0 DAADMO Cn1cnc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)c1 ZINC001105211215 916125672 /nfs/dbraw/zinc/12/56/72/916125672.db2.gz KKRSFSGAGGXKBW-UHFFFAOYSA-N 1 1 305.342 -1.209 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1 ZINC001105202793 916126083 /nfs/dbraw/zinc/12/60/83/916126083.db2.gz UPFZGPIPHCVGFL-ZDUSSCGKSA-N 1 1 324.385 -1.926 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114361198 916129730 /nfs/dbraw/zinc/12/97/30/916129730.db2.gz JEESBAIQKJFSST-UXCLJVHYSA-N 1 1 305.400 -1.647 20 0 DAADMO O=C(CCCN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114371268 916131111 /nfs/dbraw/zinc/13/11/11/916131111.db2.gz DKLWWAVMRBXFGY-HBYGRHMLSA-N 1 1 309.366 -1.046 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114948193 916132229 /nfs/dbraw/zinc/13/22/29/916132229.db2.gz ZSXZFHGKMHILGU-JZYVYDRUSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC001114948193 916132247 /nfs/dbraw/zinc/13/22/47/916132247.db2.gz ZSXZFHGKMHILGU-JZYVYDRUSA-N 1 1 320.353 -1.166 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114948157 916132349 /nfs/dbraw/zinc/13/23/49/916132349.db2.gz YVTBNSJXJCRKKM-KZWBYHQPSA-N 1 1 310.398 -1.012 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncccc1O)N1CCOCC1 ZINC001126125289 916140065 /nfs/dbraw/zinc/14/00/65/916140065.db2.gz QJDFCBWKYSDVCM-UHFFFAOYSA-N 1 1 308.338 -1.035 20 0 DAADMO CCc1nc2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cn2n1 ZINC001174675724 916149750 /nfs/dbraw/zinc/14/97/50/916149750.db2.gz NLMZUKUKVBOHMS-AVGNSLFASA-N 1 1 316.369 -1.576 20 0 DAADMO CCc1nc2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cn2n1 ZINC001174675723 916150195 /nfs/dbraw/zinc/15/01/95/916150195.db2.gz NLMZUKUKVBOHMS-AGIUHOORSA-N 1 1 316.369 -1.576 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247537 916156573 /nfs/dbraw/zinc/15/65/73/916156573.db2.gz QMEKMOVTGHHJIW-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248142 916157100 /nfs/dbraw/zinc/15/71/00/916157100.db2.gz XGJNTOMBRVNUSC-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO COCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001251024590 916171797 /nfs/dbraw/zinc/17/17/97/916171797.db2.gz PFLNANQFUNOYDZ-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO COC(=O)C[C@H](NC[C@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC001251033854 916171977 /nfs/dbraw/zinc/17/19/77/916171977.db2.gz UIHIDNOGFNBNFU-QWRGUYRKSA-N 1 1 304.343 -1.626 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C ZINC001251022747 916172360 /nfs/dbraw/zinc/17/23/60/916172360.db2.gz ZAQSVBREJUUXLL-CHWSQXEVSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1C ZINC001251022747 916172365 /nfs/dbraw/zinc/17/23/65/916172365.db2.gz ZAQSVBREJUUXLL-CHWSQXEVSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C ZINC001251022749 916172441 /nfs/dbraw/zinc/17/24/41/916172441.db2.gz ZAQSVBREJUUXLL-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1C ZINC001251022749 916172446 /nfs/dbraw/zinc/17/24/46/916172446.db2.gz ZAQSVBREJUUXLL-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO C[C@H](C[N@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001266760328 916182554 /nfs/dbraw/zinc/18/25/54/916182554.db2.gz CIXQOGNHVNCKCG-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001273538361 916190838 /nfs/dbraw/zinc/19/08/38/916190838.db2.gz DXNMWYQRRULUIY-NSHDSACASA-N 1 1 312.370 -2.236 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001273609926 916190935 /nfs/dbraw/zinc/19/09/35/916190935.db2.gz DVNBBJBJISFJDZ-UHFFFAOYSA-N 1 1 320.357 -1.111 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001279229472 916195930 /nfs/dbraw/zinc/19/59/30/916195930.db2.gz IMSAGASOAOZJTF-LMLFDSFASA-N 1 1 322.365 -1.364 20 0 DAADMO CCOC(=O)COCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001312718897 916209212 /nfs/dbraw/zinc/20/92/12/916209212.db2.gz VTEKQEFHBGZLSZ-LLVKDONJSA-N 1 1 303.359 -1.068 20 0 DAADMO COCC[NH+]1CCN(C(=O)NCCCS(N)(=O)=O)CC1 ZINC001312933314 916212508 /nfs/dbraw/zinc/21/25/08/916212508.db2.gz VWMMJYRSIWAZAQ-UHFFFAOYSA-N 1 1 308.404 -1.361 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001313441538 916215558 /nfs/dbraw/zinc/21/55/58/916215558.db2.gz OTXGNAOSWGMMRP-LBPRGKRZSA-N 1 1 318.381 -1.015 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001313441538 916215574 /nfs/dbraw/zinc/21/55/74/916215574.db2.gz OTXGNAOSWGMMRP-LBPRGKRZSA-N 1 1 318.381 -1.015 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1=O ZINC001313441829 916216452 /nfs/dbraw/zinc/21/64/52/916216452.db2.gz ZTQGXLTUBZHXJK-VXGBXAGGSA-N 1 1 320.393 -1.113 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001316606826 916217154 /nfs/dbraw/zinc/21/71/54/916217154.db2.gz QBYFIVKMIPZFCY-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001316606818 916217556 /nfs/dbraw/zinc/21/75/56/916217556.db2.gz QBYFIVKMIPZFCY-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001316621454 916219456 /nfs/dbraw/zinc/21/94/56/916219456.db2.gz BUAWYYSEOYTDBX-KXUCPTDWSA-N 1 1 320.353 -1.363 20 0 DAADMO O=C(NCc1nc(C[NH2+]CCF)cc(=O)[nH]1)[C@H]1CNC(=O)N1 ZINC001316715699 916220751 /nfs/dbraw/zinc/22/07/51/916220751.db2.gz NXBZOIGLFOIUOC-MRVPVSSYSA-N 1 1 312.305 -1.461 20 0 DAADMO Cn1cncc1C[N@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316744199 916220980 /nfs/dbraw/zinc/22/09/80/916220980.db2.gz NRTKPGOKZDZIED-NSHDSACASA-N 1 1 309.370 -1.309 20 0 DAADMO Cn1cncc1C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316744199 916221002 /nfs/dbraw/zinc/22/10/02/916221002.db2.gz NRTKPGOKZDZIED-NSHDSACASA-N 1 1 309.370 -1.309 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001316767843 916221157 /nfs/dbraw/zinc/22/11/57/916221157.db2.gz WKYZMQHPYHVABQ-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001316763057 916221285 /nfs/dbraw/zinc/22/12/85/916221285.db2.gz OWCWLTHJNVXMFJ-UHFFFAOYSA-N 1 1 311.342 -1.724 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001316763057 916221304 /nfs/dbraw/zinc/22/13/04/916221304.db2.gz OWCWLTHJNVXMFJ-UHFFFAOYSA-N 1 1 311.342 -1.724 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001316762959 916223257 /nfs/dbraw/zinc/22/32/57/916223257.db2.gz MYHZIMADLPYHAM-NXEZZACHSA-N 1 1 315.374 -2.052 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001316764185 916223528 /nfs/dbraw/zinc/22/35/28/916223528.db2.gz NNGXGKRYQSZYFO-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001316764185 916223548 /nfs/dbraw/zinc/22/35/48/916223548.db2.gz NNGXGKRYQSZYFO-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001316762960 916224065 /nfs/dbraw/zinc/22/40/65/916224065.db2.gz MYHZIMADLPYHAM-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC001316760693 916224316 /nfs/dbraw/zinc/22/43/16/916224316.db2.gz IHUJJVCRMUJXAG-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+](C)Cc2cnnn2C)c1=O ZINC001316836002 916225117 /nfs/dbraw/zinc/22/51/17/916225117.db2.gz NVBWCADNLCBVJT-UHFFFAOYSA-N 1 1 322.373 -1.651 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+](C)Cc2cnnn2C)c1=O ZINC001316836002 916225139 /nfs/dbraw/zinc/22/51/39/916225139.db2.gz NVBWCADNLCBVJT-UHFFFAOYSA-N 1 1 322.373 -1.651 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[N@H+]1CCO ZINC001316795973 916225639 /nfs/dbraw/zinc/22/56/39/916225639.db2.gz NVCBOMDFKPZKOZ-MNOVXSKESA-N 1 1 310.354 -1.502 20 0 DAADMO Cn1cncc1C[N@@H+](C)CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001316827775 916225792 /nfs/dbraw/zinc/22/57/92/916225792.db2.gz CZIGXDLRMVMUFK-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)C1CN(C(C)=O)C1 ZINC001316817910 916227916 /nfs/dbraw/zinc/22/79/16/916227916.db2.gz CGVCNYOSRFCYFE-CYBMUJFWSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1ncn(C)c1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001316829565 916229066 /nfs/dbraw/zinc/22/90/66/916229066.db2.gz FQFJCFCTILKDSD-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+](C)CC(=O)NC2CC2)c1=O ZINC001316833134 916229658 /nfs/dbraw/zinc/22/96/58/916229658.db2.gz ARBHKRLEMBHCFT-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CCn1nncc1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001316822188 916230337 /nfs/dbraw/zinc/23/03/37/916230337.db2.gz NZBKDCZLGDTTIV-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001316852658 916230991 /nfs/dbraw/zinc/23/09/91/916230991.db2.gz LWCKPFFPAOOMHH-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[N@@H+](CCCNC(=O)C(C)(C)NS(C)(=O)=O)CC(N)=O ZINC001316852613 916231575 /nfs/dbraw/zinc/23/15/75/916231575.db2.gz AUQHOCQUTKWLHF-UHFFFAOYSA-N 1 1 308.404 -1.762 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCCC[N@@H+](C)CCCO)C1=O ZINC001316855399 916232462 /nfs/dbraw/zinc/23/24/62/916232462.db2.gz VGCICEHCCUQSJS-UHFFFAOYSA-N 1 1 314.342 -1.773 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@@H+](C)CC(=O)N2CCC2)NC1=O ZINC001316842173 916232920 /nfs/dbraw/zinc/23/29/20/916232920.db2.gz FWOYFBVNZAGMPZ-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)N2CCC2)NC1=O ZINC001316842174 916233801 /nfs/dbraw/zinc/23/38/01/916233801.db2.gz FWOYFBVNZAGMPZ-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001316845780 916234984 /nfs/dbraw/zinc/23/49/84/916234984.db2.gz PELXANYVXHUQNS-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO C[N@H+](CCCNC(=O)c1cnon1)CC(=O)N1CCNC(=O)C1 ZINC001316855557 916235908 /nfs/dbraw/zinc/23/59/08/916235908.db2.gz LGJJWXPKQULJHX-UHFFFAOYSA-N 1 1 324.341 -1.920 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cnon1)CC(=O)N1CCNC(=O)C1 ZINC001316855557 916235927 /nfs/dbraw/zinc/23/59/27/916235927.db2.gz LGJJWXPKQULJHX-UHFFFAOYSA-N 1 1 324.341 -1.920 20 0 DAADMO COCCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001316943476 916238317 /nfs/dbraw/zinc/23/83/17/916238317.db2.gz FWUCKQFBPSRCFQ-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001316921219 916239503 /nfs/dbraw/zinc/23/95/03/916239503.db2.gz NDVILRWPDPIRPG-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001316944005 916240662 /nfs/dbraw/zinc/24/06/62/916240662.db2.gz HYMQJLJCBSUWFC-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@@H+](CCCO)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001316908374 916241894 /nfs/dbraw/zinc/24/18/94/916241894.db2.gz BHEBOLAINUGYJO-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@H](O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001316959258 916243407 /nfs/dbraw/zinc/24/34/07/916243407.db2.gz FZXKMQYEMZFWPY-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1noc(CCC[NH+]2CCN(CCNC(=O)C(N)=O)CC2)n1 ZINC001316967087 916243501 /nfs/dbraw/zinc/24/35/01/916243501.db2.gz QKJDYAHGEDCQKS-UHFFFAOYSA-N 1 1 324.385 -1.470 20 0 DAADMO CC(C)(C(N)=O)C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001316959334 916245894 /nfs/dbraw/zinc/24/58/94/916245894.db2.gz WWGMXLFXJZCIIB-UHFFFAOYSA-N 1 1 313.402 -1.893 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)CCn2ccnc2)CC1 ZINC001316960644 916247205 /nfs/dbraw/zinc/24/72/05/916247205.db2.gz JOLSJQHHOIUWSL-UHFFFAOYSA-N 1 1 322.413 -1.118 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001316975582 916247699 /nfs/dbraw/zinc/24/76/99/916247699.db2.gz YMVWOWWONVGUHH-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001316975582 916247717 /nfs/dbraw/zinc/24/77/17/916247717.db2.gz YMVWOWWONVGUHH-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316974404 916248928 /nfs/dbraw/zinc/24/89/28/916248928.db2.gz RAHXEZBVUGAFEU-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316974404 916248947 /nfs/dbraw/zinc/24/89/47/916248947.db2.gz RAHXEZBVUGAFEU-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)NC1=O ZINC001316983863 916249386 /nfs/dbraw/zinc/24/93/86/916249386.db2.gz ALXZPFLPUYZXON-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)NC1=O ZINC001316983862 916249696 /nfs/dbraw/zinc/24/96/96/916249696.db2.gz ALXZPFLPUYZXON-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985771 916252209 /nfs/dbraw/zinc/25/22/09/916252209.db2.gz NDRJVLLRJRAKPT-DTWKUNHWSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985771 916252229 /nfs/dbraw/zinc/25/22/29/916252229.db2.gz NDRJVLLRJRAKPT-DTWKUNHWSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)nc1 ZINC001316993424 916253723 /nfs/dbraw/zinc/25/37/23/916253723.db2.gz AYLKUZVZVJJKNL-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)nc1 ZINC001316993399 916255680 /nfs/dbraw/zinc/25/56/80/916255680.db2.gz AYLKUZVZVJJKNL-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001316994675 916256308 /nfs/dbraw/zinc/25/63/08/916256308.db2.gz YSISTTHKVLHIEC-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001316989318 916257454 /nfs/dbraw/zinc/25/74/54/916257454.db2.gz UMRQKBSTURCCHI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001316989318 916257473 /nfs/dbraw/zinc/25/74/73/916257473.db2.gz UMRQKBSTURCCHI-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001317027031 916259092 /nfs/dbraw/zinc/25/90/92/916259092.db2.gz FFYRKRMRRDINBD-IINYFYTJSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001317027033 916259849 /nfs/dbraw/zinc/25/98/49/916259849.db2.gz FFYRKRMRRDINBD-YGRLFVJLSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001317043163 916260295 /nfs/dbraw/zinc/26/02/95/916260295.db2.gz IFZARTPIERYYGQ-MNOVXSKESA-N 1 1 324.381 -1.305 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001317079981 916262279 /nfs/dbraw/zinc/26/22/79/916262279.db2.gz MSOVUZGFNNHZQI-KYZUINATSA-N 1 1 321.341 -1.403 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001317135944 916268946 /nfs/dbraw/zinc/26/89/46/916268946.db2.gz VDBTVDBVLHCEKZ-NEPJUHHUSA-N 1 1 309.370 -1.443 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCOCCO)C1)[C@H]1COC(=O)N1 ZINC001317130998 916269057 /nfs/dbraw/zinc/26/90/57/916269057.db2.gz NDGBAJJMXVRVOC-VXGBXAGGSA-N 1 1 315.370 -1.068 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317137578 916271222 /nfs/dbraw/zinc/27/12/22/916271222.db2.gz NDKRKJCJANIMSI-JTQLQIEISA-N 1 1 310.354 -1.551 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317137578 916271242 /nfs/dbraw/zinc/27/12/42/916271242.db2.gz NDKRKJCJANIMSI-JTQLQIEISA-N 1 1 310.354 -1.551 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001317181679 916274759 /nfs/dbraw/zinc/27/47/59/916274759.db2.gz VHZLQEVTRDKAHE-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1cnn(C)n1 ZINC001317280888 916280407 /nfs/dbraw/zinc/28/04/07/916280407.db2.gz AHHNYKXOLUCPJW-SECBINFHSA-N 1 1 323.357 -1.697 20 0 DAADMO CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001317307593 916285214 /nfs/dbraw/zinc/28/52/14/916285214.db2.gz GZYXQKGPUCNOSZ-JTQLQIEISA-N 1 1 315.399 -1.028 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448382 916296505 /nfs/dbraw/zinc/29/65/05/916296505.db2.gz LKGVCRGRKKRXMA-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448382 916296524 /nfs/dbraw/zinc/29/65/24/916296524.db2.gz LKGVCRGRKKRXMA-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCN2C(=O)CNC2=O)n1 ZINC001317442758 916298023 /nfs/dbraw/zinc/29/80/23/916298023.db2.gz DTDQZZOYJLEDSK-UHFFFAOYSA-N 1 1 309.330 -1.972 20 0 DAADMO CCOCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001317448250 916298173 /nfs/dbraw/zinc/29/81/73/916298173.db2.gz HMCULSPZVOCFLK-UHFFFAOYSA-N 1 1 312.370 -1.369 20 0 DAADMO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCNC(=O)CC(N)=O ZINC001317441376 916298509 /nfs/dbraw/zinc/29/85/09/916298509.db2.gz LSFXHCXIAQXQOV-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCNC(=O)CC(N)=O ZINC001317441376 916298527 /nfs/dbraw/zinc/29/85/27/916298527.db2.gz LSFXHCXIAQXQOV-SSDOTTSWSA-N 1 1 312.292 -1.023 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001317450238 916299081 /nfs/dbraw/zinc/29/90/81/916299081.db2.gz RBAAGAQPQIIFMS-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001317450238 916299092 /nfs/dbraw/zinc/29/90/92/916299092.db2.gz RBAAGAQPQIIFMS-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO Cc1nn(C)cc1C[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317449953 916303767 /nfs/dbraw/zinc/30/37/67/916303767.db2.gz LRUQUZYPOKVQGL-NSHDSACASA-N 1 1 322.369 -1.125 20 0 DAADMO Cc1nn(C)cc1C[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317449953 916303786 /nfs/dbraw/zinc/30/37/86/916303786.db2.gz LRUQUZYPOKVQGL-NSHDSACASA-N 1 1 322.369 -1.125 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001317461694 916303926 /nfs/dbraw/zinc/30/39/26/916303926.db2.gz FHKAPWFWDRLEQB-UHFFFAOYSA-N 1 1 319.387 -1.245 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCC(=O)NC1=O ZINC001317479347 916307029 /nfs/dbraw/zinc/30/70/29/916307029.db2.gz KVHNFPIKUSWCTI-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C[C@H](C)O ZINC001317486623 916308191 /nfs/dbraw/zinc/30/81/91/916308191.db2.gz CGNHDJSCNMOLQM-VIFPVBQESA-N 1 1 314.342 -1.774 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)[C@@H]1CCC(=O)NC1=O ZINC001317477225 916308238 /nfs/dbraw/zinc/30/82/38/916308238.db2.gz HJNXEHFHOBYGPK-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CNC(=O)CC(N)=O ZINC001317494108 916308427 /nfs/dbraw/zinc/30/84/27/916308427.db2.gz AECXWVXOODDRND-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1CNC(=O)CC(N)=O ZINC001317494108 916308449 /nfs/dbraw/zinc/30/84/49/916308449.db2.gz AECXWVXOODDRND-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CCN1CCNC1=O ZINC001317485085 916308953 /nfs/dbraw/zinc/30/89/53/916308953.db2.gz WFXWMVXUIWRSJR-UHFFFAOYSA-N 1 1 311.386 -1.285 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001317488230 916309407 /nfs/dbraw/zinc/30/94/07/916309407.db2.gz DBMWITFCYYESAT-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CCNC(=O)CC(N)=O ZINC001317477311 916310482 /nfs/dbraw/zinc/31/04/82/916310482.db2.gz IIMLELKGTYSSBV-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)CC(N)=O ZINC001317477311 916310504 /nfs/dbraw/zinc/31/05/04/916310504.db2.gz IIMLELKGTYSSBV-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCNC(=O)C1(C(N)=O)CC1)CCN1C(=O)CCC1=O ZINC001317483592 916310546 /nfs/dbraw/zinc/31/05/46/916310546.db2.gz HBBCIAFVZOMDJA-UHFFFAOYSA-N 1 1 324.381 -1.161 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001317516394 916311908 /nfs/dbraw/zinc/31/19/08/916311908.db2.gz NXKOLBHJABMPQI-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001317516394 916311924 /nfs/dbraw/zinc/31/19/24/916311924.db2.gz NXKOLBHJABMPQI-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCOCCO)C1)[C@@H]1COC(=O)N1 ZINC001317517826 916313876 /nfs/dbraw/zinc/31/38/76/916313876.db2.gz DXRRQVZOMXVBCM-QWRGUYRKSA-N 1 1 301.343 -1.458 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317507670 916315543 /nfs/dbraw/zinc/31/55/43/916315543.db2.gz JZKSPKQQSRZQBU-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317507670 916315563 /nfs/dbraw/zinc/31/55/63/916315563.db2.gz JZKSPKQQSRZQBU-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001317519480 916317307 /nfs/dbraw/zinc/31/73/07/916317307.db2.gz CVDYAQUIDDXCKO-LLVKDONJSA-N 1 1 302.375 -1.638 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001317531245 916317902 /nfs/dbraw/zinc/31/79/02/916317902.db2.gz BCNDCTYFVIDZHL-NWDGAFQWSA-N 1 1 308.382 -1.161 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001317530163 916322816 /nfs/dbraw/zinc/32/28/16/916322816.db2.gz FDHVCINUMDZPOW-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CCOCC[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001317523815 916324648 /nfs/dbraw/zinc/32/46/48/916324648.db2.gz VRXSNZMEHDYUSL-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO Cc1ncc(C(=O)N(C)CC[NH2+]CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001317574106 916328049 /nfs/dbraw/zinc/32/80/49/916328049.db2.gz UUYGHDKWTUIBMN-UHFFFAOYSA-N 1 1 322.369 -1.662 20 0 DAADMO Cc1cc(C(=O)N(C)CC[NH2+]CCN2C(=O)CNC2=O)n[nH]1 ZINC001317568651 916328811 /nfs/dbraw/zinc/32/88/11/916328811.db2.gz BSFPMRFGMSTVNS-UHFFFAOYSA-N 1 1 308.342 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)CC[NH2+]Cc1cn(C)nn1)S(C)(=O)=O ZINC001317600121 916329712 /nfs/dbraw/zinc/32/97/12/916329712.db2.gz DNKAEXIOEFIRKA-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[NH2+]Cc1ncnn1C ZINC001317586798 916333177 /nfs/dbraw/zinc/33/31/77/916333177.db2.gz PFOPPTFPHZBCSG-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1ccnc2n[nH]nc21 ZINC001317609605 916334745 /nfs/dbraw/zinc/33/47/45/916334745.db2.gz QRGNLTBWKPXLPB-UHFFFAOYSA-N 1 1 316.329 -1.262 20 0 DAADMO COCCn1ccc(C(=O)N(C)CC[NH2+]Cc2nnnn2C)n1 ZINC001317608482 916337531 /nfs/dbraw/zinc/33/75/31/916337531.db2.gz HKIUDZLNMLRCRU-UHFFFAOYSA-N 1 1 322.373 -1.085 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ncnn1C ZINC001317624733 916337794 /nfs/dbraw/zinc/33/77/94/916337794.db2.gz DVIKTVOFYGUEES-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CN(CC[NH2+]Cc1nc(C2CC2)nn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001317633181 916337831 /nfs/dbraw/zinc/33/78/31/916337831.db2.gz IDINPTUTVXSOQW-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)CCCS(N)(=O)=O)[nH]1 ZINC001317627577 916338110 /nfs/dbraw/zinc/33/81/10/916338110.db2.gz PIISTWRGBDHCFR-UHFFFAOYSA-N 1 1 318.403 -1.270 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001317635322 916340932 /nfs/dbraw/zinc/34/09/32/916340932.db2.gz CHOZJHBLLBPVHQ-QMMMGPOBSA-N 1 1 309.330 -1.741 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)c1cn(CC(N)=O)nn1 ZINC001317664651 916342443 /nfs/dbraw/zinc/34/24/43/916342443.db2.gz MKBRLWGQUSUGAU-UHFFFAOYSA-N 1 1 320.357 -1.641 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)c1cn(CC(N)=O)nn1 ZINC001317665134 916343703 /nfs/dbraw/zinc/34/37/03/916343703.db2.gz OZBKXQZMLMOVRH-UHFFFAOYSA-N 1 1 321.345 -2.246 20 0 DAADMO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ncn[nH]1 ZINC001317648686 916345065 /nfs/dbraw/zinc/34/50/65/916345065.db2.gz OAZCDAZMFCVXEF-JTQLQIEISA-N 1 1 315.399 -1.170 20 0 DAADMO Cc1nc(C[NH2+]CCN(C)C(=O)c2cn(CC(N)=O)nn2)co1 ZINC001317665717 916348705 /nfs/dbraw/zinc/34/87/05/916348705.db2.gz TWOUAFBCQFDQRT-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)C(N)=O)CCN(C)S(C)(=O)=O ZINC001317700504 916349444 /nfs/dbraw/zinc/34/94/44/916349444.db2.gz SERVWBJVJTTXIS-UHFFFAOYSA-N 1 1 322.431 -1.420 20 0 DAADMO C[N@H+](CC(N)=O)CC1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001317884179 916351218 /nfs/dbraw/zinc/35/12/18/916351218.db2.gz LGGLQPFMRQSYOC-LLVKDONJSA-N 1 1 324.381 -1.305 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001317862332 916352777 /nfs/dbraw/zinc/35/27/77/916352777.db2.gz VTUAGGJRONIGLC-WDEREUQCSA-N 1 1 324.381 -1.211 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC[C@H]2CC[N@@H+](CCO)C2)C1=O ZINC001317811847 916353563 /nfs/dbraw/zinc/35/35/63/916353563.db2.gz ROXMPVBKRNYJJR-NSHDSACASA-N 1 1 312.370 -1.299 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001317862309 916353984 /nfs/dbraw/zinc/35/39/84/916353984.db2.gz VKBWMZCTFUBFJN-NSHDSACASA-N 1 1 312.370 -1.299 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001317832161 916354379 /nfs/dbraw/zinc/35/43/79/916354379.db2.gz ZDPKJEUDFNSWPG-LBPRGKRZSA-N 1 1 322.427 -1.180 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317848246 916354710 /nfs/dbraw/zinc/35/47/10/916354710.db2.gz LGSSGWYFFABTQE-SNVBAGLBSA-N 1 1 305.400 -1.313 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](C[N@@H+](C)CCOCCO)C1 ZINC001317833631 916354773 /nfs/dbraw/zinc/35/47/73/916354773.db2.gz UNCKSDMQCLNOLX-NWDGAFQWSA-N 1 1 316.402 -1.168 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001317943326 916357972 /nfs/dbraw/zinc/35/79/72/916357972.db2.gz FNKGJQGEHCHBHA-NXEZZACHSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001317943326 916357987 /nfs/dbraw/zinc/35/79/87/916357987.db2.gz FNKGJQGEHCHBHA-NXEZZACHSA-N 1 1 322.365 -1.362 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001317973376 916358657 /nfs/dbraw/zinc/35/86/57/916358657.db2.gz WVMVXQVMWYJAHL-UWVGGRQHSA-N 1 1 324.381 -1.116 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001317973376 916358671 /nfs/dbraw/zinc/35/86/71/916358671.db2.gz WVMVXQVMWYJAHL-UWVGGRQHSA-N 1 1 324.381 -1.116 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001317943170 916359006 /nfs/dbraw/zinc/35/90/06/916359006.db2.gz CQGIHPPXWMQWDF-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001317943170 916359019 /nfs/dbraw/zinc/35/90/19/916359019.db2.gz CQGIHPPXWMQWDF-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CNC(=O)NCC(=O)NC1C[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001318030547 916361059 /nfs/dbraw/zinc/36/10/59/916361059.db2.gz CWLXZFWRRAUOOQ-GFCCVEGCSA-N 1 1 314.386 -1.089 20 0 DAADMO O=C(NCC(F)F)C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001318136581 916371963 /nfs/dbraw/zinc/37/19/63/916371963.db2.gz POZNXDCRVRCHSA-QMMMGPOBSA-N 1 1 304.297 -1.696 20 0 DAADMO O=C(NCC(F)F)C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001318136579 916374072 /nfs/dbraw/zinc/37/40/72/916374072.db2.gz POZNXDCRVRCHSA-MRVPVSSYSA-N 1 1 304.297 -1.696 20 0 DAADMO CN(C)C(=O)CN1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001318206556 916375014 /nfs/dbraw/zinc/37/50/14/916375014.db2.gz BYVGRWJJQKSDJE-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO C[C@H](C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001318245524 916379001 /nfs/dbraw/zinc/37/90/01/916379001.db2.gz VDRYPWPYHOHFQS-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@H](C[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001318245524 916379024 /nfs/dbraw/zinc/37/90/24/916379024.db2.gz VDRYPWPYHOHFQS-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO COCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001318225306 916379378 /nfs/dbraw/zinc/37/93/78/916379378.db2.gz XTYXXOCQHMJFMR-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318284754 916379734 /nfs/dbraw/zinc/37/97/34/916379734.db2.gz PKORQJICIXOJRM-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001318284754 916379753 /nfs/dbraw/zinc/37/97/53/916379753.db2.gz PKORQJICIXOJRM-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001318320245 916387924 /nfs/dbraw/zinc/38/79/24/916387924.db2.gz AWBASGQXFPJRMI-WDEREUQCSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001318320245 916387941 /nfs/dbraw/zinc/38/79/41/916387941.db2.gz AWBASGQXFPJRMI-WDEREUQCSA-N 1 1 317.411 -1.123 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318399215 916389136 /nfs/dbraw/zinc/38/91/36/916389136.db2.gz DQRFCJHQZVKFSR-MNOVXSKESA-N 1 1 301.343 -1.364 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001318357703 916390675 /nfs/dbraw/zinc/39/06/75/916390675.db2.gz DCNDGWZSLLHCNO-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001318360077 916390817 /nfs/dbraw/zinc/39/08/17/916390817.db2.gz DOGLXPNQMZKNJX-GHMZBOCLSA-N 1 1 310.354 -1.502 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001318399217 916391103 /nfs/dbraw/zinc/39/11/03/916391103.db2.gz DQRFCJHQZVKFSR-QWRGUYRKSA-N 1 1 301.343 -1.364 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1=O ZINC001318459539 916395767 /nfs/dbraw/zinc/39/57/67/916395767.db2.gz FZQHDRDTLOWVKJ-SECBINFHSA-N 1 1 311.342 -2.231 20 0 DAADMO CCN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001318466658 916395985 /nfs/dbraw/zinc/39/59/85/916395985.db2.gz XIEAORCZZISVPF-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 ZINC001318519843 916398934 /nfs/dbraw/zinc/39/89/34/916398934.db2.gz XZJGTKPYIAYTIG-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)CN1CC[NH+](C)CC1 ZINC001318491873 916399510 /nfs/dbraw/zinc/39/95/10/916399510.db2.gz UONRDRFUDVYCMX-LLVKDONJSA-N 1 1 311.386 -1.462 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)CN1CC[NH+](C)CC1 ZINC001318491874 916400688 /nfs/dbraw/zinc/40/06/88/916400688.db2.gz UONRDRFUDVYCMX-NSHDSACASA-N 1 1 311.386 -1.462 20 0 DAADMO CC[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318601402 916403139 /nfs/dbraw/zinc/40/31/39/916403139.db2.gz GRIRYTBXVYQAFQ-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)NCCS(N)(=O)=O)CC1 ZINC001318618872 916403261 /nfs/dbraw/zinc/40/32/61/916403261.db2.gz OFIMTNAFXVFHKV-UHFFFAOYSA-N 1 1 321.447 -1.398 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001318604502 916403517 /nfs/dbraw/zinc/40/35/17/916403517.db2.gz NNOOESTWGGKCGQ-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001318604502 916403538 /nfs/dbraw/zinc/40/35/38/916403538.db2.gz NNOOESTWGGKCGQ-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001318604502 916403545 /nfs/dbraw/zinc/40/35/45/916403545.db2.gz NNOOESTWGGKCGQ-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO CC[C@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318601397 916403932 /nfs/dbraw/zinc/40/39/32/916403932.db2.gz GRIRYTBXVYQAFQ-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001318627330 916404549 /nfs/dbraw/zinc/40/45/49/916404549.db2.gz YUUZJUSGJBINER-LLVKDONJSA-N 1 1 322.369 -1.093 20 0 DAADMO NC(=O)CSCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001318680919 916407803 /nfs/dbraw/zinc/40/78/03/916407803.db2.gz CBHLIIZBJYBSIU-JTQLQIEISA-N 1 1 316.427 -1.092 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC001318798360 916410190 /nfs/dbraw/zinc/41/01/90/916410190.db2.gz DOWMRYCYZGPARU-JTQLQIEISA-N 1 1 312.374 -1.917 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001319077088 916418269 /nfs/dbraw/zinc/41/82/69/916418269.db2.gz FWYKVWAMPFLECK-ZDUSSCGKSA-N 1 1 311.342 -1.248 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001319261584 916423268 /nfs/dbraw/zinc/42/32/68/916423268.db2.gz QSDOZDUEGKHHHQ-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001319261584 916423275 /nfs/dbraw/zinc/42/32/75/916423275.db2.gz QSDOZDUEGKHHHQ-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001319331379 916433183 /nfs/dbraw/zinc/43/31/83/916433183.db2.gz GGFTVVZOLYLUAX-NSHDSACASA-N 1 1 313.354 -1.665 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001319331379 916433202 /nfs/dbraw/zinc/43/32/02/916433202.db2.gz GGFTVVZOLYLUAX-NSHDSACASA-N 1 1 313.354 -1.665 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001319578315 916443646 /nfs/dbraw/zinc/44/36/46/916443646.db2.gz ILGAASSHYSORDK-QMMMGPOBSA-N 1 1 324.341 -1.134 20 0 DAADMO CN(C)C(=O)CN1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC001319881079 916452958 /nfs/dbraw/zinc/45/29/58/916452958.db2.gz ZGMWGFWPUPZZEL-UHFFFAOYSA-N 1 1 315.374 -1.113 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986753 916460143 /nfs/dbraw/zinc/46/01/43/916460143.db2.gz SYUNQMGFSFLHGG-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CC(N)=O ZINC001319986753 916460157 /nfs/dbraw/zinc/46/01/57/916460157.db2.gz SYUNQMGFSFLHGG-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001320110051 916468353 /nfs/dbraw/zinc/46/83/53/916468353.db2.gz DVNMLDQVENDZPW-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCNC(=O)C2CC2)C1 ZINC001320111336 916468505 /nfs/dbraw/zinc/46/85/05/916468505.db2.gz OHNCTMOKSFPJHA-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CCc2ccnn2C)n[nH]1 ZINC001320218495 916481282 /nfs/dbraw/zinc/48/12/82/916481282.db2.gz STUMXGYFLOMLRR-LBPRGKRZSA-N 1 1 321.385 -1.301 20 0 DAADMO CC[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CCNC1=O ZINC001320232782 916483881 /nfs/dbraw/zinc/48/38/81/916483881.db2.gz CWQAJFKBLDGUKC-ZWNOBZJWSA-N 1 1 311.342 -1.447 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC001320281743 916494687 /nfs/dbraw/zinc/49/46/87/916494687.db2.gz JJDYHGCWHUWWOP-MRVPVSSYSA-N 1 1 311.342 -1.153 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)nn1 ZINC001320316536 916504439 /nfs/dbraw/zinc/50/44/39/916504439.db2.gz JQVMWSSMIBAYOJ-WCBMZHEXSA-N 1 1 324.341 -2.565 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1 ZINC001320341202 916504875 /nfs/dbraw/zinc/50/48/75/916504875.db2.gz DOHYOTJCXXJZTM-HNNXBMFYSA-N 1 1 322.365 -1.185 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)nn1 ZINC001320316534 916505221 /nfs/dbraw/zinc/50/52/21/916505221.db2.gz JQVMWSSMIBAYOJ-SCZZXKLOSA-N 1 1 324.341 -2.565 20 0 DAADMO Cc1nc(CC(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)n[nH]1 ZINC001320422122 916508068 /nfs/dbraw/zinc/50/80/68/916508068.db2.gz ICRZLLJLDXIZBJ-MRVPVSSYSA-N 1 1 307.362 -1.136 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccon2)CC1 ZINC001320392301 916508290 /nfs/dbraw/zinc/50/82/90/916508290.db2.gz LBXLTADRMMVIJC-UHFFFAOYSA-N 1 1 309.326 -1.107 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)S(C)(=O)=O ZINC001320412375 916508606 /nfs/dbraw/zinc/50/86/06/916508606.db2.gz BUXMCYMAQSGIRW-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)S(C)(=O)=O ZINC001320412375 916508619 /nfs/dbraw/zinc/50/86/19/916508619.db2.gz BUXMCYMAQSGIRW-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CCn1cncn1 ZINC001320681020 916524852 /nfs/dbraw/zinc/52/48/52/916524852.db2.gz VCKZGJAZHDRMPJ-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO CCN(CC[NH2+]Cc1nonc1C)C(=O)Cn1ncn(C)c1=O ZINC001320777936 916528627 /nfs/dbraw/zinc/52/86/27/916528627.db2.gz AQUWGLAXVASJGO-UHFFFAOYSA-N 1 1 323.357 -1.088 20 0 DAADMO CC1(C)CN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCO ZINC001320833911 916531250 /nfs/dbraw/zinc/53/12/50/916531250.db2.gz URXCTAGTVKOGFQ-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC(=O)N2)nc1=O ZINC001320997899 916537606 /nfs/dbraw/zinc/53/76/06/916537606.db2.gz LNNHFYXLRNIDCP-GKQMSVHHSA-N 1 1 308.342 -1.851 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC(=O)N2)nc1=O ZINC001320997900 916537933 /nfs/dbraw/zinc/53/79/33/916537933.db2.gz LNNHFYXLRNIDCP-PKRMOACSSA-N 1 1 308.342 -1.851 20 0 DAADMO Cn1nnnc1CNC/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321011876 916539508 /nfs/dbraw/zinc/53/95/08/916539508.db2.gz QBCXVXANXKATQO-PGLGOXFNSA-N 1 1 309.374 -1.697 20 0 DAADMO Cn1nnnc1CNC/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321011876 916539524 /nfs/dbraw/zinc/53/95/24/916539524.db2.gz QBCXVXANXKATQO-PGLGOXFNSA-N 1 1 309.374 -1.697 20 0 DAADMO Cn1nnnc1CNC/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321011875 916541050 /nfs/dbraw/zinc/54/10/50/916541050.db2.gz QBCXVXANXKATQO-DLRQAJBASA-N 1 1 309.374 -1.697 20 0 DAADMO Cn1nnnc1CNC/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321011875 916541060 /nfs/dbraw/zinc/54/10/60/916541060.db2.gz QBCXVXANXKATQO-DLRQAJBASA-N 1 1 309.374 -1.697 20 0 DAADMO O=C(NCC=CC[NH2+]C[C@H](O)CN1CCCC1=O)c1cnn[nH]1 ZINC001321137863 916548880 /nfs/dbraw/zinc/54/88/80/916548880.db2.gz VKVIUWPGXSBFDC-GXFZAYBSSA-N 1 1 322.369 -1.336 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001321129993 916549476 /nfs/dbraw/zinc/54/94/76/916549476.db2.gz IAUAESZCOCYZLO-ZDUSSCGKSA-N 1 1 312.326 -1.660 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001321129992 916549916 /nfs/dbraw/zinc/54/99/16/916549916.db2.gz IAUAESZCOCYZLO-CYBMUJFWSA-N 1 1 312.326 -1.660 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321185390 916552444 /nfs/dbraw/zinc/55/24/44/916552444.db2.gz KEKZYJBBKWIRKE-CDAZIORVSA-N 1 1 310.358 -1.618 20 0 DAADMO O=C(NCC=CC[NH2+]CCN1C(=O)CNC1=O)c1[nH]ncc1F ZINC001321234999 916556909 /nfs/dbraw/zinc/55/69/09/916556909.db2.gz CBSNCJGTECRMHD-UPHRSURJSA-N 1 1 324.316 -1.024 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC001321364697 916570816 /nfs/dbraw/zinc/57/08/16/916570816.db2.gz JNFLGDPBZUJLGX-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO Cc1nonc1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321432472 916573984 /nfs/dbraw/zinc/57/39/84/916573984.db2.gz OWFGKGHAXDHKIL-ONEGZZNKSA-N 1 1 307.314 -1.124 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC001321510237 916575967 /nfs/dbraw/zinc/57/59/67/916575967.db2.gz VYBGGJVDNACBBT-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO Cc1n[nH]cc1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001321659687 916585434 /nfs/dbraw/zinc/58/54/34/916585434.db2.gz ZAAGCCVNRBNIMZ-LBPRGKRZSA-N 1 1 308.386 -1.304 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001321676205 916589359 /nfs/dbraw/zinc/58/93/59/916589359.db2.gz UPZKOSXWEKDXNS-IJLUTSLNSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCS(C)(=O)=O ZINC001321737541 916591916 /nfs/dbraw/zinc/59/19/16/916591916.db2.gz FXKPBNHCWJNYEZ-UHFFFAOYSA-N 1 1 316.383 -1.141 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1C(=O)CNC1=O ZINC001321735049 916592056 /nfs/dbraw/zinc/59/20/56/916592056.db2.gz APOINFYHIIWAKW-SSDOTTSWSA-N 1 1 310.318 -2.644 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCS(C)(=O)=O)C1 ZINC001321721490 916593670 /nfs/dbraw/zinc/59/36/70/916593670.db2.gz ONLLDUJTDAQLRK-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001321820449 916598482 /nfs/dbraw/zinc/59/84/82/916598482.db2.gz FWLTZQUZEYPIPH-SNVBAGLBSA-N 1 1 317.411 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001321835709 916600228 /nfs/dbraw/zinc/60/02/28/916600228.db2.gz CFBKNPUEGHAMOH-NSHDSACASA-N 1 1 304.372 -1.448 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001321835709 916600241 /nfs/dbraw/zinc/60/02/41/916600241.db2.gz CFBKNPUEGHAMOH-NSHDSACASA-N 1 1 304.372 -1.448 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001321835708 916600606 /nfs/dbraw/zinc/60/06/06/916600606.db2.gz CFBKNPUEGHAMOH-LLVKDONJSA-N 1 1 304.372 -1.448 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001321835708 916600616 /nfs/dbraw/zinc/60/06/16/916600616.db2.gz CFBKNPUEGHAMOH-LLVKDONJSA-N 1 1 304.372 -1.448 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1=CC[N@@H+](C)CC1 ZINC001321957649 916611958 /nfs/dbraw/zinc/61/19/58/916611958.db2.gz GNZBOHAYAQEWNN-SNVBAGLBSA-N 1 1 317.411 -1.086 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](O)C1 ZINC001321988794 916612658 /nfs/dbraw/zinc/61/26/58/916612658.db2.gz QTEMZBQCZPDFTA-AVGNSLFASA-N 1 1 311.382 -1.051 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCNC1=O ZINC001322043066 916614968 /nfs/dbraw/zinc/61/49/68/916614968.db2.gz BPUQEFRXDSYUAC-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC[C@H](CO)C1)S(C)(=O)=O ZINC001322015072 916615936 /nfs/dbraw/zinc/61/59/36/916615936.db2.gz BTKKXCLTNMOESH-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC(F)C2)C1 ZINC001322046761 916616734 /nfs/dbraw/zinc/61/67/34/916616734.db2.gz JXXSUFHFJXUOJZ-SNVBAGLBSA-N 1 1 314.361 -1.130 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001322098624 916618840 /nfs/dbraw/zinc/61/88/40/916618840.db2.gz KFNCEGMURZZUDA-IUCAKERBSA-N 1 1 308.342 -1.538 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001322130501 916619407 /nfs/dbraw/zinc/61/94/07/916619407.db2.gz QJHNMYUSZIXDJQ-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC(N)=O ZINC001322130501 916619413 /nfs/dbraw/zinc/61/94/13/916619413.db2.gz QJHNMYUSZIXDJQ-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001322097912 916619949 /nfs/dbraw/zinc/61/99/49/916619949.db2.gz FZTULSAHZZESPZ-UWVGGRQHSA-N 1 1 311.390 -1.048 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001322123760 916620249 /nfs/dbraw/zinc/62/02/49/916620249.db2.gz YMAGRQCBUIEAEK-GARJFASQSA-N 1 1 303.359 -1.084 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001322123760 916620260 /nfs/dbraw/zinc/62/02/60/916620260.db2.gz YMAGRQCBUIEAEK-GARJFASQSA-N 1 1 303.359 -1.084 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001322125887 916620385 /nfs/dbraw/zinc/62/03/85/916620385.db2.gz ZFVYAPCNZXFHIH-DTWKUNHWSA-N 1 1 314.342 -1.416 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001322125889 916620695 /nfs/dbraw/zinc/62/06/95/916620695.db2.gz ZFVYAPCNZXFHIH-RKDXNWHRSA-N 1 1 314.342 -1.416 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)c1cnnn1C ZINC001322147716 916622865 /nfs/dbraw/zinc/62/28/65/916622865.db2.gz OMQKFJBNRJKKPJ-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001322229626 916627585 /nfs/dbraw/zinc/62/75/85/916627585.db2.gz CUNOOHGEFLIHGQ-SCZZXKLOSA-N 1 1 321.337 -1.375 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[N@@H+](C)C1CC1 ZINC001322440511 916637128 /nfs/dbraw/zinc/63/71/28/916637128.db2.gz LWPLRFWPLZIIHB-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCCNC(=O)C1CC1 ZINC001322525223 916638526 /nfs/dbraw/zinc/63/85/26/916638526.db2.gz SHFJEXNXORWESY-UHFFFAOYSA-N 1 1 307.354 -1.050 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCNC(=O)CC1 ZINC001322569879 916645843 /nfs/dbraw/zinc/64/58/43/916645843.db2.gz RMQDVPHNPIAUNV-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001322598087 916648186 /nfs/dbraw/zinc/64/81/86/916648186.db2.gz OVTCQZJDULGDAO-HJTOQOCKSA-N 1 1 317.411 -1.540 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001322586251 916648306 /nfs/dbraw/zinc/64/83/06/916648306.db2.gz UIVNQCQDIQCNDJ-NSHDSACASA-N 1 1 320.353 -1.456 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001322608713 916650236 /nfs/dbraw/zinc/65/02/36/916650236.db2.gz PBCJODPBQUTXEP-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001322687870 916656687 /nfs/dbraw/zinc/65/66/87/916656687.db2.gz RZUKSLSFSKZLBB-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCn2ncnc2C1 ZINC001322692039 916657409 /nfs/dbraw/zinc/65/74/09/916657409.db2.gz ADTMIEIODGNGMS-NSHDSACASA-N 1 1 321.385 -2.018 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC001322695271 916657481 /nfs/dbraw/zinc/65/74/81/916657481.db2.gz QUMYJZZHKHTGBV-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC001322745191 916662086 /nfs/dbraw/zinc/66/20/86/916662086.db2.gz YCIOORHFLRISNM-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC001322749003 916662257 /nfs/dbraw/zinc/66/22/57/916662257.db2.gz FJCKRTFDMDNHEW-IUODEOHRSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cc(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC001322803912 916667758 /nfs/dbraw/zinc/66/77/58/916667758.db2.gz JYRLBAPNFYKAMV-CYBMUJFWSA-N 1 1 322.413 -1.559 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCNS(C)(=O)=O)[N@@H+](C)C1CC1 ZINC001322797860 916668595 /nfs/dbraw/zinc/66/85/95/916668595.db2.gz MHQVHIAPJNMCSW-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001322836217 916670290 /nfs/dbraw/zinc/67/02/90/916670290.db2.gz IZVPEMNYUJHSCY-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC001322836201 916670996 /nfs/dbraw/zinc/67/09/96/916670996.db2.gz INFHATGJTJHHTA-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[S@](C)=O)n1C ZINC001322853387 916673702 /nfs/dbraw/zinc/67/37/02/916673702.db2.gz BTUAIQQUNLCYLI-NRFANRHFSA-N 1 1 315.399 -1.403 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001322869890 916674098 /nfs/dbraw/zinc/67/40/98/916674098.db2.gz VEMJQJFAJCMICA-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322880258 916675513 /nfs/dbraw/zinc/67/55/13/916675513.db2.gz PMAJWCQMECOVNL-MQJDWESPSA-N 1 1 318.443 -1.767 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323004568 916684998 /nfs/dbraw/zinc/68/49/98/916684998.db2.gz ISZKBSQRCLVUQW-ZJUUUORDSA-N 1 1 309.374 -1.375 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001323009926 916685489 /nfs/dbraw/zinc/68/54/89/916685489.db2.gz SMIXRTUPOHEUFW-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC(C)(F)C2)CC1 ZINC001323112399 916691311 /nfs/dbraw/zinc/69/13/11/916691311.db2.gz MFYOBJKVEAPNDG-UHFFFAOYSA-N 1 1 314.361 -1.163 20 0 DAADMO Cn1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC001323055787 916692578 /nfs/dbraw/zinc/69/25/78/916692578.db2.gz OHZICRNUSVJLIQ-UHFFFAOYSA-N 1 1 322.369 -1.361 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001323180170 916694284 /nfs/dbraw/zinc/69/42/84/916694284.db2.gz YNQIZKZIKKUOSI-PWSUYJOCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001323180170 916694296 /nfs/dbraw/zinc/69/42/96/916694296.db2.gz YNQIZKZIKKUOSI-PWSUYJOCSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCOC)CC1 ZINC001323182222 916698925 /nfs/dbraw/zinc/69/89/25/916698925.db2.gz QSOFBSJWNJUZPW-UHFFFAOYSA-N 1 1 314.386 -1.534 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001323258362 916703811 /nfs/dbraw/zinc/70/38/11/916703811.db2.gz JESILYITVIGFHC-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001323258362 916703822 /nfs/dbraw/zinc/70/38/22/916703822.db2.gz JESILYITVIGFHC-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001323267967 916706867 /nfs/dbraw/zinc/70/68/67/916706867.db2.gz AHMIVGSCKJCIPX-UHFFFAOYSA-N 1 1 322.431 -1.500 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCOC1)CN1CC[NH+](C)CC1 ZINC001323334111 916713458 /nfs/dbraw/zinc/71/34/58/916713458.db2.gz UKCHIFUXBWXTNH-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCOC1)CN1CC[NH+](C)CC1 ZINC001323334110 916714414 /nfs/dbraw/zinc/71/44/14/916714414.db2.gz UKCHIFUXBWXTNH-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001323370396 916717420 /nfs/dbraw/zinc/71/74/20/916717420.db2.gz GMNZXIBFOZGWLQ-MNOVXSKESA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001323370396 916717433 /nfs/dbraw/zinc/71/74/33/916717433.db2.gz GMNZXIBFOZGWLQ-MNOVXSKESA-N 1 1 320.353 -1.479 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001323384601 916718746 /nfs/dbraw/zinc/71/87/46/916718746.db2.gz ZXFUJSDHWGLHRJ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001323684001 916742641 /nfs/dbraw/zinc/74/26/41/916742641.db2.gz KSQXXKXDHPWLMZ-JTQLQIEISA-N 1 1 309.374 -1.374 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC001323950329 916758870 /nfs/dbraw/zinc/75/88/70/916758870.db2.gz OTEKHJOZPGAXAO-NSHDSACASA-N 1 1 316.402 -1.336 20 0 DAADMO CC[N@@H+](CCO)CCNCc1nccn1S(=O)(=O)N(C)C ZINC001323968688 916760527 /nfs/dbraw/zinc/76/05/27/916760527.db2.gz YXWBKYZVYIGJQB-UHFFFAOYSA-N 1 1 319.431 -1.059 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ncn(C)n1 ZINC001324017420 916761646 /nfs/dbraw/zinc/76/16/46/916761646.db2.gz COPDRWVYZPUJFD-LLVKDONJSA-N 1 1 324.385 -1.169 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC001323989535 916763138 /nfs/dbraw/zinc/76/31/38/916763138.db2.gz IALLOEHSCGUZAR-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ncnn2C)C1 ZINC001324077088 916765918 /nfs/dbraw/zinc/76/59/18/916765918.db2.gz DSDJXHSECYNSOJ-MNOVXSKESA-N 1 1 324.385 -1.171 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ncn(C)n2)C1 ZINC001324442566 916782684 /nfs/dbraw/zinc/78/26/84/916782684.db2.gz MDGFYDSBWSUYKG-QWRGUYRKSA-N 1 1 324.385 -1.171 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC001324507176 916784060 /nfs/dbraw/zinc/78/40/60/916784060.db2.gz SWQIZDMIGVQRFM-UHFFFAOYSA-N 1 1 317.371 -2.027 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCCO ZINC001324517514 916784595 /nfs/dbraw/zinc/78/45/95/916784595.db2.gz JGZUHENVISXQGI-OLZOCXBDSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@@H](CO)NC(N)=O)CCCO1 ZINC001324623829 916791734 /nfs/dbraw/zinc/79/17/34/916791734.db2.gz KIYDSJDKRQNLPG-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)[C@H](CO)NC(N)=O)CCCO1 ZINC001324623828 916791953 /nfs/dbraw/zinc/79/19/53/916791953.db2.gz KIYDSJDKRQNLPG-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CCOCCO)C1 ZINC001324670363 916795621 /nfs/dbraw/zinc/79/56/21/916795621.db2.gz XMGJAEZTYMIBRI-ZDUSSCGKSA-N 1 1 302.375 -1.366 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC001324693984 916795681 /nfs/dbraw/zinc/79/56/81/916795681.db2.gz LCEBNPARJMQUIP-PWSUYJOCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001324693984 916795695 /nfs/dbraw/zinc/79/56/95/916795695.db2.gz LCEBNPARJMQUIP-PWSUYJOCSA-N 1 1 307.354 -1.072 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001324746166 916798737 /nfs/dbraw/zinc/79/87/37/916798737.db2.gz NQEKJCKEFAQJRI-NWDGAFQWSA-N 1 1 315.370 -1.116 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001324845049 916798919 /nfs/dbraw/zinc/79/89/19/916798919.db2.gz HTISAUAMYMTCDW-DTWKUNHWSA-N 1 1 311.346 -2.338 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001324845049 916798931 /nfs/dbraw/zinc/79/89/31/916798931.db2.gz HTISAUAMYMTCDW-DTWKUNHWSA-N 1 1 311.346 -2.338 20 0 DAADMO Cc1nc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)nn1C ZINC001324951737 916803768 /nfs/dbraw/zinc/80/37/68/916803768.db2.gz JFZBDMXCSYAPHZ-UHFFFAOYSA-N 1 1 324.385 -1.023 20 0 DAADMO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001324969878 916804855 /nfs/dbraw/zinc/80/48/55/916804855.db2.gz JZNLSESLRSPVHC-SDDRHHMPSA-N 1 1 308.382 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC(N)=O)C1 ZINC001325040919 916807335 /nfs/dbraw/zinc/80/73/35/916807335.db2.gz BLNLALXQGASGPU-ZJUUUORDSA-N 1 1 323.340 -1.058 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066704 916807739 /nfs/dbraw/zinc/80/77/39/916807739.db2.gz HMARBEUATKACDU-QMTHXVAHSA-N 1 1 321.337 -1.619 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c1 ZINC001325066704 916807750 /nfs/dbraw/zinc/80/77/50/916807750.db2.gz HMARBEUATKACDU-QMTHXVAHSA-N 1 1 321.337 -1.619 20 0 DAADMO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001325086541 916811403 /nfs/dbraw/zinc/81/14/03/916811403.db2.gz QGTWNFUGQBQPTE-HZMBPMFUSA-N 1 1 322.369 -1.806 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325081875 916812123 /nfs/dbraw/zinc/81/21/23/916812123.db2.gz HNKBYGLKOYDHGY-CQSZACIVSA-N 1 1 309.370 -1.609 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncc[nH]1 ZINC001325082483 916812237 /nfs/dbraw/zinc/81/22/37/916812237.db2.gz NQJKKZRXKBDLGQ-OTYXRUKQSA-N 1 1 321.337 -1.619 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC=CC2)C1 ZINC001325086087 916813414 /nfs/dbraw/zinc/81/34/14/916813414.db2.gz OIXVSBREIMRKGR-HNNXBMFYSA-N 1 1 324.381 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CC=CC2)C1 ZINC001325086087 916813431 /nfs/dbraw/zinc/81/34/31/916813431.db2.gz OIXVSBREIMRKGR-HNNXBMFYSA-N 1 1 324.381 -1.039 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001325081986 916813701 /nfs/dbraw/zinc/81/37/01/916813701.db2.gz LXXYOSFXQMNGDF-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001325081986 916813718 /nfs/dbraw/zinc/81/37/18/916813718.db2.gz LXXYOSFXQMNGDF-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070923 916814984 /nfs/dbraw/zinc/81/49/84/916814984.db2.gz STKMYMUTYWRPCB-YGRLFVJLSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cocn1 ZINC001325070923 916814999 /nfs/dbraw/zinc/81/49/99/916814999.db2.gz STKMYMUTYWRPCB-YGRLFVJLSA-N 1 1 322.321 -1.354 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001325126499 916816292 /nfs/dbraw/zinc/81/62/92/916816292.db2.gz PCKHZGKBMVXZHX-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO CCOCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001325126499 916816307 /nfs/dbraw/zinc/81/63/07/916816307.db2.gz PCKHZGKBMVXZHX-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO COCCC[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001325111502 916816447 /nfs/dbraw/zinc/81/64/47/916816447.db2.gz TUBOSCKXVQTQSH-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001325161432 916826064 /nfs/dbraw/zinc/82/60/64/916826064.db2.gz OCMPYXDTMUSOMS-HNNXBMFYSA-N 1 1 324.381 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001325247083 916833608 /nfs/dbraw/zinc/83/36/08/916833608.db2.gz RKIJATXQHORQBI-GHMZBOCLSA-N 1 1 324.381 -1.951 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CCOCCO)C1 ZINC001325245346 916834700 /nfs/dbraw/zinc/83/47/00/916834700.db2.gz FKMSWPBGWXBXCG-UHFFFAOYSA-N 1 1 312.370 -1.637 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001325308384 916839895 /nfs/dbraw/zinc/83/98/95/916839895.db2.gz OFHSVZCMRRGDCW-UHFFFAOYSA-N 1 1 313.354 -1.665 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1=O ZINC001325307786 916841114 /nfs/dbraw/zinc/84/11/14/916841114.db2.gz HUPMPZZQYBVDSD-UHFFFAOYSA-N 1 1 324.381 -1.157 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@H]1C[N@H+](C)CCO1 ZINC001325301991 916841692 /nfs/dbraw/zinc/84/16/92/916841692.db2.gz ZJYHCPMSSFQEQH-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnn(C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC001325301991 916841700 /nfs/dbraw/zinc/84/17/00/916841700.db2.gz ZJYHCPMSSFQEQH-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCn1ccnc1 ZINC001325388529 916844269 /nfs/dbraw/zinc/84/42/69/916844269.db2.gz VJFMCAKOTNTCKT-LBPRGKRZSA-N 1 1 308.386 -1.639 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001325502372 916849454 /nfs/dbraw/zinc/84/94/54/916849454.db2.gz YCIPJYKOOHXHQY-YUSALJHKSA-N 1 1 308.382 -1.068 20 0 DAADMO Cn1cc(/C=C\C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001325495674 916850496 /nfs/dbraw/zinc/85/04/96/916850496.db2.gz YODDQRVHXNLOCS-FOSCPCJNSA-N 1 1 322.365 -1.720 20 0 DAADMO O=C(C(=O)N1CCNC(=O)CC1)N1CC[NH+](CC2CC2)CC1 ZINC001325708414 916858736 /nfs/dbraw/zinc/85/87/36/916858736.db2.gz VFKKOKHXLOMRII-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cnccn2)C1 ZINC001325738172 916859224 /nfs/dbraw/zinc/85/92/24/916859224.db2.gz REBSJHGEBBALIG-CYBMUJFWSA-N 1 1 321.381 -1.028 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325762540 916862717 /nfs/dbraw/zinc/86/27/17/916862717.db2.gz OVEDRJKAMYUUKI-XQQFMLRXSA-N 1 1 313.398 -1.105 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001325762539 916862853 /nfs/dbraw/zinc/86/28/53/916862853.db2.gz OVEDRJKAMYUUKI-FRRDWIJNSA-N 1 1 313.398 -1.105 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001325766469 916862956 /nfs/dbraw/zinc/86/29/56/916862956.db2.gz NRTFYRQWUHLGMZ-GRYCIOLGSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839514 916866344 /nfs/dbraw/zinc/86/63/44/916866344.db2.gz XSUZFSWRZKKLME-YGRLFVJLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839514 916866363 /nfs/dbraw/zinc/86/63/63/916866363.db2.gz XSUZFSWRZKKLME-YGRLFVJLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839512 916867091 /nfs/dbraw/zinc/86/70/91/916867091.db2.gz XSUZFSWRZKKLME-QMTHXVAHSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001325839512 916867105 /nfs/dbraw/zinc/86/71/05/916867105.db2.gz XSUZFSWRZKKLME-QMTHXVAHSA-N 1 1 314.386 -1.718 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCCNC1=O ZINC001325849279 916870276 /nfs/dbraw/zinc/87/02/76/916870276.db2.gz CRBHRWWGAIFXDI-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C)CC1)S(N)(=O)=O ZINC001325926976 916873682 /nfs/dbraw/zinc/87/36/82/916873682.db2.gz ODTKHGWQECHMNG-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2cnsn2)nn1 ZINC001325984560 916875632 /nfs/dbraw/zinc/87/56/32/916875632.db2.gz UQVMWJCGTKHPLI-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)c1cnsn1 ZINC001325984431 916876281 /nfs/dbraw/zinc/87/62/81/916876281.db2.gz PQIGQHHICYIIDO-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO COC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1cnn(C)n1 ZINC001325984919 916877801 /nfs/dbraw/zinc/87/78/01/916877801.db2.gz ZFMIRSSWBFDCAQ-UHFFFAOYSA-N 1 1 314.346 -1.918 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)CC1 ZINC001325989075 916879624 /nfs/dbraw/zinc/87/96/24/916879624.db2.gz CUTYMLYKTDNSTI-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC001325989073 916881034 /nfs/dbraw/zinc/88/10/34/916881034.db2.gz CUTYMLYKTDNSTI-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)c2ncn(C)n2)[nH]1 ZINC001326021752 916882688 /nfs/dbraw/zinc/88/26/88/916882688.db2.gz LGZAWMILXNARIE-UHFFFAOYSA-N 1 1 308.346 -1.534 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001326022040 916883469 /nfs/dbraw/zinc/88/34/69/916883469.db2.gz IHACUVVHOQJMBR-UHFFFAOYSA-N 1 1 308.346 -1.983 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNC(=O)CN ZINC001326004061 916883511 /nfs/dbraw/zinc/88/35/11/916883511.db2.gz ARTFMYDEUNLCEG-LLVKDONJSA-N 1 1 313.402 -1.880 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)CN ZINC001326004061 916883526 /nfs/dbraw/zinc/88/35/26/916883526.db2.gz ARTFMYDEUNLCEG-LLVKDONJSA-N 1 1 313.402 -1.880 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001326028163 916883564 /nfs/dbraw/zinc/88/35/64/916883564.db2.gz FRLLEJJSSCBEHY-TXEJJXNPSA-N 1 1 315.370 -1.693 20 0 DAADMO CCc1nc(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)co1 ZINC001326008780 916885545 /nfs/dbraw/zinc/88/55/45/916885545.db2.gz AYEJVRKLKQHVRA-UHFFFAOYSA-N 1 1 323.357 -1.015 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001326034065 916887870 /nfs/dbraw/zinc/88/78/70/916887870.db2.gz PRXOXDZOYOKPEN-LBPRGKRZSA-N 1 1 323.397 -1.191 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCNC1=O ZINC001326033574 916888956 /nfs/dbraw/zinc/88/89/56/916888956.db2.gz MCXMPZZLALAWNU-LBPRGKRZSA-N 1 1 323.397 -1.143 20 0 DAADMO CN1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1 ZINC001326069455 916890717 /nfs/dbraw/zinc/89/07/17/916890717.db2.gz AFRAQHMELCDZFM-CYBMUJFWSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@H]2C(N)=O)nn1 ZINC001326070727 916892347 /nfs/dbraw/zinc/89/23/47/916892347.db2.gz RXDPOBWVHJERQM-VXGBXAGGSA-N 1 1 324.385 -1.763 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@]2(C)CCNC2=O)n1 ZINC001326091315 916893769 /nfs/dbraw/zinc/89/37/69/916893769.db2.gz KVJZWUJMXKFMBQ-OAHLLOKOSA-N 1 1 323.397 -1.143 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCCN2CCOCC2)CC1 ZINC001326145942 916901294 /nfs/dbraw/zinc/90/12/94/916901294.db2.gz GPQVVRVGCOMXJU-HNNXBMFYSA-N 1 1 300.447 -1.093 20 0 DAADMO Cn1nc(C(=O)N(CCO)CC[NH2+]Cc2ccon2)ccc1=O ZINC001326147650 916902612 /nfs/dbraw/zinc/90/26/12/916902612.db2.gz VPOYHSDSUNNSRE-UHFFFAOYSA-N 1 1 321.337 -1.007 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001326135430 916903302 /nfs/dbraw/zinc/90/33/02/916903302.db2.gz TYIPOYFWYPAZOJ-NSHDSACASA-N 1 1 324.385 -1.513 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)Cn1ccnc1 ZINC001326159811 916906141 /nfs/dbraw/zinc/90/61/41/916906141.db2.gz SDFICMPYQSBCIN-UHFFFAOYSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC001326238586 916907720 /nfs/dbraw/zinc/90/77/20/916907720.db2.gz MIQVPVKMDTYQDL-GMTAPVOTSA-N 1 1 324.381 -1.151 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cn(C)nc1OC ZINC001326220938 916908676 /nfs/dbraw/zinc/90/86/76/916908676.db2.gz YNXFSKMHQVQLKP-UHFFFAOYSA-N 1 1 313.358 -1.202 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001326571670 916930409 /nfs/dbraw/zinc/93/04/09/916930409.db2.gz DGVFWGMBMBAIAW-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001326573312 916931541 /nfs/dbraw/zinc/93/15/41/916931541.db2.gz LUGVLGSTMYTGOK-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001326571662 916931584 /nfs/dbraw/zinc/93/15/84/916931584.db2.gz DGVFWGMBMBAIAW-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001326554547 916931972 /nfs/dbraw/zinc/93/19/72/916931972.db2.gz CEFVSEQWZLQBGX-DCAQKATOSA-N 1 1 301.343 -1.365 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001326554547 916931985 /nfs/dbraw/zinc/93/19/85/916931985.db2.gz CEFVSEQWZLQBGX-DCAQKATOSA-N 1 1 301.343 -1.365 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC[N@H+]1C ZINC001326596897 916933315 /nfs/dbraw/zinc/93/33/15/916933315.db2.gz NLJZKZKIVSIRAZ-MXWKQRLJSA-N 1 1 312.370 -1.702 20 0 DAADMO COCCOCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001326584592 916933636 /nfs/dbraw/zinc/93/36/36/916933636.db2.gz BWOXZMUJWYLPMR-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC001326596895 916934737 /nfs/dbraw/zinc/93/47/37/916934737.db2.gz NLJZKZKIVSIRAZ-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC001326869246 916963654 /nfs/dbraw/zinc/96/36/54/916963654.db2.gz RTQIQCZEWKCWPK-UHFFFAOYSA-N 1 1 311.342 -1.166 20 0 DAADMO O=C(N[C@@H]1CCCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326873412 916965130 /nfs/dbraw/zinc/96/51/30/916965130.db2.gz ULFPTGWPGIWJMV-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)N(C)C ZINC001326870310 916965306 /nfs/dbraw/zinc/96/53/06/916965306.db2.gz AUJNSNSFQBIELE-GARJFASQSA-N 1 1 312.370 -2.143 20 0 DAADMO Cc1noc(CN(C)C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001326874133 916965767 /nfs/dbraw/zinc/96/57/67/916965767.db2.gz OTVQVYSTHDXKBD-WDEREUQCSA-N 1 1 323.353 -1.386 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCOC1 ZINC001326909448 916967497 /nfs/dbraw/zinc/96/74/97/916967497.db2.gz QHHYFCFYHSXPJP-QNWHQSFQSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCOC1 ZINC001326909447 916968994 /nfs/dbraw/zinc/96/89/94/916968994.db2.gz QHHYFCFYHSXPJP-MROQNXINSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC(F)F)CC1 ZINC001327128312 916991476 /nfs/dbraw/zinc/99/14/76/916991476.db2.gz AKJUOMLDZNVPDU-QMMMGPOBSA-N 1 1 306.313 -1.176 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)CC(N)=O ZINC001327189948 916992185 /nfs/dbraw/zinc/99/21/85/916992185.db2.gz VFJJBGXZARSBPQ-UHFFFAOYSA-N 1 1 314.386 -1.499 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCN(C)C(=O)CC(N)=O ZINC001327188825 916992593 /nfs/dbraw/zinc/99/25/93/916992593.db2.gz NPDVWNMELTVBSN-UHFFFAOYSA-N 1 1 301.347 -1.902 20 0 DAADMO Cc1ocnc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327221632 916995587 /nfs/dbraw/zinc/99/55/87/916995587.db2.gz NXNXPFCPTUWEBT-WDEREUQCSA-N 1 1 308.338 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001327212866 916995909 /nfs/dbraw/zinc/99/59/09/916995909.db2.gz JXXZCAQBAANKAH-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO COCCOCC[NH+]1CCN(CCNS(C)(=O)=O)CC1 ZINC001327220038 916996027 /nfs/dbraw/zinc/99/60/27/916996027.db2.gz CLJGMOUCQGKASM-UHFFFAOYSA-N 1 1 309.432 -1.184 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001327243918 916997776 /nfs/dbraw/zinc/99/77/76/916997776.db2.gz REEDYADPCXEJGU-ZDUSSCGKSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001327299120 917000140 /nfs/dbraw/zinc/00/01/40/917000140.db2.gz KYVZLXWMKHSNNE-VHSXEESVSA-N 1 1 312.370 -1.307 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001327299121 917000864 /nfs/dbraw/zinc/00/08/64/917000864.db2.gz KYVZLXWMKHSNNE-ZJUUUORDSA-N 1 1 312.370 -1.307 20 0 DAADMO COC[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)OC ZINC001327386765 917010109 /nfs/dbraw/zinc/01/01/09/917010109.db2.gz FUZCFVOSVVKPMP-VXGBXAGGSA-N 1 1 316.402 -1.874 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC001327419026 917010865 /nfs/dbraw/zinc/01/08/65/917010865.db2.gz OYRGVAVWOZZKOP-ZYHUDNBSSA-N 1 1 324.381 -1.534 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC001327419023 917012754 /nfs/dbraw/zinc/01/27/54/917012754.db2.gz OYRGVAVWOZZKOP-CMPLNLGQSA-N 1 1 324.381 -1.534 20 0 DAADMO Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)no1 ZINC001327555727 917024682 /nfs/dbraw/zinc/02/46/82/917024682.db2.gz LXAGZLXCPMWREP-LBPRGKRZSA-N 1 1 309.370 -1.039 20 0 DAADMO COCCCS(=O)(=O)NCC[NH+]1CCC(O)(CO)CC1 ZINC001327583677 917027622 /nfs/dbraw/zinc/02/76/22/917027622.db2.gz RRDZIAHUHKUATM-UHFFFAOYSA-N 1 1 310.416 -1.239 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001327663283 917033812 /nfs/dbraw/zinc/03/38/12/917033812.db2.gz VAQAMIGOBCQLTE-WCQYABFASA-N 1 1 313.398 -1.117 20 0 DAADMO NC(=O)C(=O)NC1(C[NH2+]Cc2nnc(C3CC3)[nH]2)CCOCC1 ZINC001327656135 917035278 /nfs/dbraw/zinc/03/52/78/917035278.db2.gz KJHVVRRKUDZZCP-UHFFFAOYSA-N 1 1 322.369 -1.078 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@](O)(C2CC2)C1 ZINC001327694657 917037522 /nfs/dbraw/zinc/03/75/22/917037522.db2.gz QLLHLHLWTGNDFP-ZENOOKHLSA-N 1 1 323.393 -1.363 20 0 DAADMO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327708559 917038117 /nfs/dbraw/zinc/03/81/17/917038117.db2.gz YSOXHUJVEAGNCV-ZDEQEGDKSA-N 1 1 310.398 -1.541 20 0 DAADMO O=C(NC[C@H]1COCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327722251 917039635 /nfs/dbraw/zinc/03/96/35/917039635.db2.gz GSUVJHOZGTVHLV-TUAOUCFPSA-N 1 1 313.354 -2.205 20 0 DAADMO O=C(NC[C@@H]1COCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327722250 917039793 /nfs/dbraw/zinc/03/97/93/917039793.db2.gz GSUVJHOZGTVHLV-QJPTWQEYSA-N 1 1 313.354 -2.205 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)C1CC1 ZINC001327824272 917045232 /nfs/dbraw/zinc/04/52/32/917045232.db2.gz VOLRIMSRNDJDQU-UHFFFAOYSA-N 1 1 322.369 -1.534 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCc1cc(C(N)=O)no1)C1CC1 ZINC001327823492 917045924 /nfs/dbraw/zinc/04/59/24/917045924.db2.gz QCEDBNUEZLSZMD-UHFFFAOYSA-N 1 1 309.326 -1.400 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCOCCF ZINC001327889861 917051587 /nfs/dbraw/zinc/05/15/87/917051587.db2.gz AWGGHOURLKOQQI-UHFFFAOYSA-N 1 1 305.350 -1.073 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001328015719 917057935 /nfs/dbraw/zinc/05/79/35/917057935.db2.gz MEPLYZWCDGXSDL-UHFFFAOYSA-N 1 1 324.403 -2.654 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1=O ZINC001328079900 917058661 /nfs/dbraw/zinc/05/86/61/917058661.db2.gz OZIFSFRMLPRYRW-JTQLQIEISA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(c1nc[nH]n1)N1CCN(C2C[NH+](CCOCCO)C2)CC1 ZINC001328130844 917066353 /nfs/dbraw/zinc/06/63/53/917066353.db2.gz YFWHBOJZZUZZAZ-UHFFFAOYSA-N 1 1 324.385 -1.744 20 0 DAADMO C[C@@H]([NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1)c1nnnn1C ZINC001328199422 917071505 /nfs/dbraw/zinc/07/15/05/917071505.db2.gz WXFZLBJDMXXXHF-MRVPVSSYSA-N 1 1 311.346 -2.301 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC001328266324 917072517 /nfs/dbraw/zinc/07/25/17/917072517.db2.gz IMAIEFRCNOJSTN-ZYHUDNBSSA-N 1 1 314.386 -1.407 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001328454318 917090694 /nfs/dbraw/zinc/09/06/94/917090694.db2.gz GDNMNZIOPWEMDU-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO CN(C)CCOCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001328525413 917092744 /nfs/dbraw/zinc/09/27/44/917092744.db2.gz RGHRMPSIZRXSPC-UHFFFAOYSA-N 1 1 321.443 -1.152 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)C1 ZINC001328669608 917104275 /nfs/dbraw/zinc/10/42/75/917104275.db2.gz LFWDTFDJFDODRY-SLEUVZQESA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)C[C@@H]21 ZINC001328786183 917108459 /nfs/dbraw/zinc/10/84/59/917108459.db2.gz JXGLUXZPQACTOW-CJZIVDKGSA-N 1 1 311.407 -1.119 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)C[C@@H]21 ZINC001328786183 917108466 /nfs/dbraw/zinc/10/84/66/917108466.db2.gz JXGLUXZPQACTOW-CJZIVDKGSA-N 1 1 311.407 -1.119 20 0 DAADMO COCCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001328814655 917110974 /nfs/dbraw/zinc/11/09/74/917110974.db2.gz ACBDGPXBFFTKKU-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001328815563 917112258 /nfs/dbraw/zinc/11/22/58/917112258.db2.gz HCIHVLAWEUHPPM-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC001328971005 917125035 /nfs/dbraw/zinc/12/50/35/917125035.db2.gz DDTYIPYLKVTGFO-GFCCVEGCSA-N 1 1 315.418 -2.170 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)S(C)(=O)=O ZINC001328982091 917128589 /nfs/dbraw/zinc/12/85/89/917128589.db2.gz SHHLDVUTRUAOAP-DTWKUNHWSA-N 1 1 307.372 -2.360 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999781 917131483 /nfs/dbraw/zinc/13/14/83/917131483.db2.gz OHEJMDGIJXLXOZ-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999781 917131494 /nfs/dbraw/zinc/13/14/94/917131494.db2.gz OHEJMDGIJXLXOZ-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999781 917131504 /nfs/dbraw/zinc/13/15/04/917131504.db2.gz OHEJMDGIJXLXOZ-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCS1(=O)=O ZINC001329014071 917133947 /nfs/dbraw/zinc/13/39/47/917133947.db2.gz KRIAFRHCPUSULH-KXUCPTDWSA-N 1 1 319.383 -2.217 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001329063681 917136032 /nfs/dbraw/zinc/13/60/32/917136032.db2.gz XJEKOELGVJUYNB-NEPJUHHUSA-N 1 1 322.365 -1.406 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329073083 917139613 /nfs/dbraw/zinc/13/96/13/917139613.db2.gz ITIFUWTYJJWECL-JGVFFNPUSA-N 1 1 304.376 -1.550 20 0 DAADMO C[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001329135382 917144742 /nfs/dbraw/zinc/14/47/42/917144742.db2.gz RKDAPSURBKHXMU-GJZGRUSLSA-N 1 1 300.447 -1.095 20 0 DAADMO C[C@@]1(CCCC(=O)NCC[N@H+]2CC[C@@H](O)C2)NC(=O)NC1=O ZINC001329120821 917145357 /nfs/dbraw/zinc/14/53/57/917145357.db2.gz VXHSDHQHUQOVJA-YGRLFVJLSA-N 1 1 312.370 -1.062 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001329168333 917148092 /nfs/dbraw/zinc/14/80/92/917148092.db2.gz XNDAYGKTPWHBBX-LBPRGKRZSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CCC1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001329196405 917149789 /nfs/dbraw/zinc/14/97/89/917149789.db2.gz RZMCSSAFEOLKHA-UWVGGRQHSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)C(=O)N(C)C ZINC001329326153 917157175 /nfs/dbraw/zinc/15/71/75/917157175.db2.gz HMYQGQKPNGMCGZ-JTQLQIEISA-N 1 1 316.427 -1.256 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001329308080 917158631 /nfs/dbraw/zinc/15/86/31/917158631.db2.gz ZENIQDHNMRTLLI-WRWGMCAJSA-N 1 1 323.349 -2.105 20 0 DAADMO COCCOCC[N@@H+](CCO)Cc1cc(=O)n(C)c(=O)n1C ZINC001329332153 917161534 /nfs/dbraw/zinc/16/15/34/917161534.db2.gz SRZWFIRHFSUANC-UHFFFAOYSA-N 1 1 315.370 -1.459 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001329377141 917163699 /nfs/dbraw/zinc/16/36/99/917163699.db2.gz UVOFPOVVPAYASG-JTQLQIEISA-N 1 1 323.357 -1.741 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001329430815 917167042 /nfs/dbraw/zinc/16/70/42/917167042.db2.gz DGYCJUNHMWKDBH-LBPRGKRZSA-N 1 1 324.381 -1.062 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001329437770 917167084 /nfs/dbraw/zinc/16/70/84/917167084.db2.gz MMZKCXUWKNGUGQ-GFCCVEGCSA-N 1 1 315.418 -2.218 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001329430813 917167686 /nfs/dbraw/zinc/16/76/86/917167686.db2.gz DGYCJUNHMWKDBH-GFCCVEGCSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329442666 917167971 /nfs/dbraw/zinc/16/79/71/917167971.db2.gz SLXGRQRIRWZSSB-BDAKNGLRSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCNC1=O)[N@@H+](C)CCOCCO ZINC001329473304 917173618 /nfs/dbraw/zinc/17/36/18/917173618.db2.gz XXJQZTDECLWILS-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)CC[C@H]21 ZINC001329495211 917175396 /nfs/dbraw/zinc/17/53/96/917175396.db2.gz SQIIEABTGIIIHH-LPWJVIDDSA-N 1 1 311.382 -1.649 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329502710 917176066 /nfs/dbraw/zinc/17/60/66/917176066.db2.gz ZWRPFELLFVMQRG-IONNQARKSA-N 1 1 308.342 -1.032 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](O)[C@H](CO)C3)CC[C@H]21 ZINC001329495217 917176385 /nfs/dbraw/zinc/17/63/85/917176385.db2.gz SQIIEABTGIIIHH-XQHKEYJVSA-N 1 1 311.382 -1.649 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329502708 917176450 /nfs/dbraw/zinc/17/64/50/917176450.db2.gz ZWRPFELLFVMQRG-CBAPKCEASA-N 1 1 308.342 -1.032 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1C(=O)CNC1=O ZINC001329537239 917178855 /nfs/dbraw/zinc/17/88/55/917178855.db2.gz JWRPCWPWEIIYHX-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329527520 917180075 /nfs/dbraw/zinc/18/00/75/917180075.db2.gz VDCVYWBWRSWIKW-LLVKDONJSA-N 1 1 321.447 -1.529 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[N@H+](C)Cc1cncn1C ZINC001329607052 917181883 /nfs/dbraw/zinc/18/18/83/917181883.db2.gz GWVBJCTXISQYCU-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[N@@H+](C)Cc1cncn1C ZINC001329607052 917181894 /nfs/dbraw/zinc/18/18/94/917181894.db2.gz GWVBJCTXISQYCU-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@H+](C)CCF ZINC001329575770 917182317 /nfs/dbraw/zinc/18/23/17/917182317.db2.gz WUOPCNJNRVBTSD-MRVPVSSYSA-N 1 1 302.306 -1.187 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CCF ZINC001329575770 917182319 /nfs/dbraw/zinc/18/23/19/917182319.db2.gz WUOPCNJNRVBTSD-MRVPVSSYSA-N 1 1 302.306 -1.187 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC1CC1)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329588223 917182568 /nfs/dbraw/zinc/18/25/68/917182568.db2.gz MJMAXTFOBWTAOV-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC1CC1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329588223 917182574 /nfs/dbraw/zinc/18/25/74/917182574.db2.gz MJMAXTFOBWTAOV-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001329613825 917183555 /nfs/dbraw/zinc/18/35/55/917183555.db2.gz PULOIABSLARSPP-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001329613825 917183566 /nfs/dbraw/zinc/18/35/66/917183566.db2.gz PULOIABSLARSPP-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001329613823 917183941 /nfs/dbraw/zinc/18/39/41/917183941.db2.gz PULOIABSLARSPP-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CCC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001329613823 917183954 /nfs/dbraw/zinc/18/39/54/917183954.db2.gz PULOIABSLARSPP-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001329612066 917185184 /nfs/dbraw/zinc/18/51/84/917185184.db2.gz ABXCSGGAXVJMHZ-UWVGGRQHSA-N 1 1 312.370 -1.164 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC001329726919 917194812 /nfs/dbraw/zinc/19/48/12/917194812.db2.gz YQIIQXPPOVIDTF-GFCCVEGCSA-N 1 1 311.430 -1.406 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1)[C@H]1CC[N@@H+](C)C1 ZINC001329749762 917195885 /nfs/dbraw/zinc/19/58/85/917195885.db2.gz MUSRZEXAXDLRKQ-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)O2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001329832167 917202117 /nfs/dbraw/zinc/20/21/17/917202117.db2.gz RNHKFADWBSLJRB-QNWHQSFQSA-N 1 1 309.366 -1.346 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)CC[C@@H]21 ZINC001329850049 917205307 /nfs/dbraw/zinc/20/53/07/917205307.db2.gz WOABCKKWENMPFF-UTUOFQBUSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)[C@@](O)(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC001329893709 917209917 /nfs/dbraw/zinc/20/99/17/917209917.db2.gz XKQHSQKZRXEUCH-JRPNMDOOSA-N 1 1 303.318 -1.436 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330006739 917220010 /nfs/dbraw/zinc/22/00/10/917220010.db2.gz CSZCSAVNZVUJGP-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO C[C@@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001330048250 917222207 /nfs/dbraw/zinc/22/22/07/917222207.db2.gz OEVXCHYLEGPPNO-PSASIEDQSA-N 1 1 322.365 -1.506 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001330045384 917222331 /nfs/dbraw/zinc/22/23/31/917222331.db2.gz BVBGCMKZLDZOIO-ONGXEEELSA-N 1 1 308.382 -1.033 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001330114467 917229341 /nfs/dbraw/zinc/22/93/41/917229341.db2.gz JQWSMYZYZFVXIM-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)C[N@H+](CCOCCO)CCO2 ZINC001330160548 917232192 /nfs/dbraw/zinc/23/21/92/917232192.db2.gz PTQIDESVIBTASU-ZDUSSCGKSA-N 1 1 301.343 -2.216 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCOCCO)CCO2 ZINC001330160548 917232200 /nfs/dbraw/zinc/23/22/00/917232200.db2.gz PTQIDESVIBTASU-ZDUSSCGKSA-N 1 1 301.343 -2.216 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001330264015 917233826 /nfs/dbraw/zinc/23/38/26/917233826.db2.gz XCBDOUHKUPSSBT-YFKTTZPYSA-N 1 1 322.365 -1.778 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nn1 ZINC001330252734 917233933 /nfs/dbraw/zinc/23/39/33/917233933.db2.gz VVHZFUGRZCAEEO-CMPLNLGQSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nn1 ZINC001330252739 917235946 /nfs/dbraw/zinc/23/59/46/917235946.db2.gz VVHZFUGRZCAEEO-PWSUYJOCSA-N 1 1 306.370 -1.016 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001330293658 917236808 /nfs/dbraw/zinc/23/68/08/917236808.db2.gz ONHWMGVKNNJDOB-ZDEQEGDKSA-N 1 1 313.398 -1.186 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001330278341 917237422 /nfs/dbraw/zinc/23/74/22/917237422.db2.gz FTQWLUCEUBXCFQ-CNDDSTCGSA-N 1 1 324.381 -1.985 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001330318699 917239014 /nfs/dbraw/zinc/23/90/14/917239014.db2.gz MELPGOTYWXVCEP-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC001330357456 917239279 /nfs/dbraw/zinc/23/92/79/917239279.db2.gz RYXNPMAQDMYXIP-NSHDSACASA-N 1 1 322.369 -1.066 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001330326886 917239524 /nfs/dbraw/zinc/23/95/24/917239524.db2.gz INKOCVBKUSQJJS-RTCCRHLQSA-N 1 1 308.382 -1.318 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C1 ZINC001330318858 917240102 /nfs/dbraw/zinc/24/01/02/917240102.db2.gz FESYJNSKPJQHDB-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(=O)NCC3CC3)[C@@H]2C1 ZINC001330345063 917240200 /nfs/dbraw/zinc/24/02/00/917240200.db2.gz FFBBMGTVGZPRQU-XYYAHUGASA-N 1 1 322.409 -1.105 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001330318703 917240527 /nfs/dbraw/zinc/24/05/27/917240527.db2.gz MELPGOTYWXVCEP-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001330359832 917242578 /nfs/dbraw/zinc/24/25/78/917242578.db2.gz KZTQQPGUVGOWGJ-QEYWKRMJSA-N 1 1 323.353 -2.246 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC[N@@H+]1C ZINC001330495648 917251094 /nfs/dbraw/zinc/25/10/94/917251094.db2.gz JNFRXGLPLOHKHS-YNEHKIRRSA-N 1 1 313.398 -1.403 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC[N@H+]1C ZINC001330495648 917251103 /nfs/dbraw/zinc/25/11/03/917251103.db2.gz JNFRXGLPLOHKHS-YNEHKIRRSA-N 1 1 313.398 -1.403 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CC(O)(C(=O)OC)C1)C1CC1 ZINC001330585211 917256457 /nfs/dbraw/zinc/25/64/57/917256457.db2.gz GIYUDATVGQIYDJ-UHFFFAOYSA-N 1 1 313.354 -1.667 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCNC2=O)C1 ZINC001330566773 917256892 /nfs/dbraw/zinc/25/68/92/917256892.db2.gz KMRZYKYFINGKQZ-QWRGUYRKSA-N 1 1 311.386 -1.239 20 0 DAADMO COC(=O)Cn1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nn1 ZINC001330638670 917258804 /nfs/dbraw/zinc/25/88/04/917258804.db2.gz OEAQNTHZQOVMLM-AOOOYVTPSA-N 1 1 307.310 -1.502 20 0 DAADMO COC(=O)Cn1cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)nn1 ZINC001330638670 917258821 /nfs/dbraw/zinc/25/88/21/917258821.db2.gz OEAQNTHZQOVMLM-AOOOYVTPSA-N 1 1 307.310 -1.502 20 0 DAADMO CN(Cc1ncc[nH]1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001330611770 917259119 /nfs/dbraw/zinc/25/91/19/917259119.db2.gz PAJKJOXLESNRRO-NSHDSACASA-N 1 1 308.386 -1.270 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001330642431 917259542 /nfs/dbraw/zinc/25/95/42/917259542.db2.gz BDGXWTOKYNZMKH-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC(O)(C(=O)OC)C2)C1 ZINC001330823018 917267290 /nfs/dbraw/zinc/26/72/90/917267290.db2.gz JQYXOXBAYVWDPX-JTQLQIEISA-N 1 1 313.354 -1.667 20 0 DAADMO CCN(C(=O)C(=O)NCc1cc(C(N)=O)no1)[C@H]1CC[N@@H+](C)C1 ZINC001330938748 917270379 /nfs/dbraw/zinc/27/03/79/917270379.db2.gz XGGIZSWMQNORJS-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001330953835 917272443 /nfs/dbraw/zinc/27/24/43/917272443.db2.gz QVJFZFVXVJVXPO-IGQOVBAYSA-N 1 1 323.393 -1.195 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cn[nH]c1)[C@H]1CCC(=O)NC1=O ZINC001331102792 917278755 /nfs/dbraw/zinc/27/87/55/917278755.db2.gz OROAGHYGRWVHCH-NSHDSACASA-N 1 1 323.353 -1.107 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCOCCNC(=O)c1ncn(C)n1 ZINC001331117813 917278813 /nfs/dbraw/zinc/27/88/13/917278813.db2.gz MEZPTPBERDYLTG-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCOCCNC(=O)c1ncn(C)n1 ZINC001331117813 917278824 /nfs/dbraw/zinc/27/88/24/917278824.db2.gz MEZPTPBERDYLTG-UHFFFAOYSA-N 1 1 312.374 -1.419 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1ncc[nH]1)[C@H]1CCC(=O)NC1=O ZINC001331117163 917279507 /nfs/dbraw/zinc/27/95/07/917279507.db2.gz DBOBZAUKFGZMRL-JTQLQIEISA-N 1 1 323.353 -1.107 20 0 DAADMO O[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001331142838 917280153 /nfs/dbraw/zinc/28/01/53/917280153.db2.gz AJRZWJJJQWPUTO-MQYQWHSLSA-N 1 1 304.387 -2.142 20 0 DAADMO O[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001331142838 917280168 /nfs/dbraw/zinc/28/01/68/917280168.db2.gz AJRZWJJJQWPUTO-MQYQWHSLSA-N 1 1 304.387 -2.142 20 0 DAADMO O[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001331142838 917280181 /nfs/dbraw/zinc/28/01/81/917280181.db2.gz AJRZWJJJQWPUTO-MQYQWHSLSA-N 1 1 304.387 -2.142 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC001331119784 917280510 /nfs/dbraw/zinc/28/05/10/917280510.db2.gz PVETZCLYLREKTH-RWMBFGLXSA-N 1 1 311.430 -1.266 20 0 DAADMO Cn1cnc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCCNC2=O)n1 ZINC001331119358 917280876 /nfs/dbraw/zinc/28/08/76/917280876.db2.gz YTZLJWLLECUIFX-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@]1(C)CCNC1=O ZINC001331148840 917282989 /nfs/dbraw/zinc/28/29/89/917282989.db2.gz CQDXWTPLOQOANN-AWEZNQCLSA-N 1 1 314.386 -1.677 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@]1(C)CCNC1=O ZINC001331148840 917282994 /nfs/dbraw/zinc/28/29/94/917282994.db2.gz CQDXWTPLOQOANN-AWEZNQCLSA-N 1 1 314.386 -1.677 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCOCCNC(=O)c2cnon2)C1=O ZINC001331158523 917283656 /nfs/dbraw/zinc/28/36/56/917283656.db2.gz MWLXMLHXDJGMRK-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001331146318 917284243 /nfs/dbraw/zinc/28/42/43/917284243.db2.gz WWIRCYPPMASEJE-SNVBAGLBSA-N 1 1 324.385 -1.226 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001331146318 917284256 /nfs/dbraw/zinc/28/42/56/917284256.db2.gz WWIRCYPPMASEJE-SNVBAGLBSA-N 1 1 324.385 -1.226 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC001331553235 917297382 /nfs/dbraw/zinc/29/73/82/917297382.db2.gz LSSBCISZXFMQGQ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CS(=O)(=O)C1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001331581204 917300689 /nfs/dbraw/zinc/30/06/89/917300689.db2.gz BHGDBNYFRNLQCM-SECBINFHSA-N 1 1 319.383 -2.216 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCn2nncc2C1 ZINC001331677241 917312032 /nfs/dbraw/zinc/31/20/32/917312032.db2.gz NWMVQPDMZYQWDZ-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001331669158 917312981 /nfs/dbraw/zinc/31/29/81/917312981.db2.gz XXGGRBPNSXYBFU-VHSXEESVSA-N 1 1 322.369 -1.196 20 0 DAADMO C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331686861 917318497 /nfs/dbraw/zinc/31/84/97/917318497.db2.gz OEIPQLJXYADUFX-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001331742427 917327704 /nfs/dbraw/zinc/32/77/04/917327704.db2.gz BGAWOXFREGIWEA-JHJVBQTASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331742427 917327722 /nfs/dbraw/zinc/32/77/22/917327722.db2.gz BGAWOXFREGIWEA-JHJVBQTASA-N 1 1 310.398 -1.166 20 0 DAADMO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331752392 917331024 /nfs/dbraw/zinc/33/10/24/917331024.db2.gz BSCMDQVUHSMBPB-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCS(C)(=O)=O ZINC001331772610 917334281 /nfs/dbraw/zinc/33/42/81/917334281.db2.gz PTQOVDXONOHAAJ-NWDGAFQWSA-N 1 1 321.443 -1.418 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001331774974 917337821 /nfs/dbraw/zinc/33/78/21/917337821.db2.gz QEUSUJDRSSFOGW-LLVKDONJSA-N 1 1 321.381 -1.339 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)cn1 ZINC001331776399 917338845 /nfs/dbraw/zinc/33/88/45/917338845.db2.gz YCVKMQQUWMCUCM-LLVKDONJSA-N 1 1 307.354 -1.383 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001331835689 917347187 /nfs/dbraw/zinc/34/71/87/917347187.db2.gz MZIMCYUTYSIKND-NSHDSACASA-N 1 1 324.337 -1.301 20 0 DAADMO COCCCn1nc(C(=O)NCC[N@@H+](C)CCO)ccc1=O ZINC001331911045 917348093 /nfs/dbraw/zinc/34/80/93/917348093.db2.gz KDFFDAYLCUJFGR-UHFFFAOYSA-N 1 1 312.370 -1.066 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1CCNC1=O ZINC001332002230 917350314 /nfs/dbraw/zinc/35/03/14/917350314.db2.gz CFQMKXGOBOLLCT-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001332120824 917355079 /nfs/dbraw/zinc/35/50/79/917355079.db2.gz UOMOYWHELPEDCP-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001332120824 917355090 /nfs/dbraw/zinc/35/50/90/917355090.db2.gz UOMOYWHELPEDCP-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO Cn1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC001332308834 917363638 /nfs/dbraw/zinc/36/36/38/917363638.db2.gz JMGCQWIUNWPOBD-NSHDSACASA-N 1 1 322.369 -1.185 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001332367630 917367508 /nfs/dbraw/zinc/36/75/08/917367508.db2.gz RQZKCRLWJNZCJP-QWHCGFSZSA-N 1 1 304.387 -1.217 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001332459180 917372830 /nfs/dbraw/zinc/37/28/30/917372830.db2.gz UDSVFNKZCSDEIR-SNVBAGLBSA-N 1 1 310.358 -1.644 20 0 DAADMO C[C@@H]1CS(=O)(=O)CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC001332447038 917373235 /nfs/dbraw/zinc/37/32/35/917373235.db2.gz PHFSPUPPUGJFQT-SNVBAGLBSA-N 1 1 303.384 -1.546 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001332506069 917377012 /nfs/dbraw/zinc/37/70/12/917377012.db2.gz VPNQYIFXKFKFAN-VIFPVBQESA-N 1 1 313.362 -2.355 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)[nH]1 ZINC001332488925 917377592 /nfs/dbraw/zinc/37/75/92/917377592.db2.gz GNVDDBXGMAHVOP-JTQLQIEISA-N 1 1 318.399 -1.215 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001332490866 917378579 /nfs/dbraw/zinc/37/85/79/917378579.db2.gz OITCVTAKHYYNGS-VHSXEESVSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnc(C(C)(C)C)[nH]1)C(=O)C(N)=O ZINC001332559427 917383646 /nfs/dbraw/zinc/38/36/46/917383646.db2.gz CECCLSPUDRADLS-MRVPVSSYSA-N 1 1 312.374 -1.504 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1CC(F)F)C(=O)C(N)=O ZINC001332563449 917384855 /nfs/dbraw/zinc/38/48/55/917384855.db2.gz YXNJHRWVBYEUAU-ZETCQYMHSA-N 1 1 320.300 -2.063 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nc2c(o1)CCCC2)C(=O)C(N)=O ZINC001332562603 917385837 /nfs/dbraw/zinc/38/58/37/917385837.db2.gz WHULXOLIJXEINC-VIFPVBQESA-N 1 1 310.354 -1.052 20 0 DAADMO CNC(=O)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001332579858 917387467 /nfs/dbraw/zinc/38/74/67/917387467.db2.gz VUSHCQRLRUGVKR-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(C)CCNC1=O ZINC001332567601 917388722 /nfs/dbraw/zinc/38/87/22/917388722.db2.gz VYWIHESLHCTZIR-BXUZGUMPSA-N 1 1 324.385 -1.750 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332630968 917393791 /nfs/dbraw/zinc/39/37/91/917393791.db2.gz DRSDWPJSICUSKO-ZJUUUORDSA-N 1 1 316.402 -1.487 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332630966 917395868 /nfs/dbraw/zinc/39/58/68/917395868.db2.gz DRSDWPJSICUSKO-UWVGGRQHSA-N 1 1 316.402 -1.487 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632276 917398611 /nfs/dbraw/zinc/39/86/11/917398611.db2.gz NIENEQQWZVZBFH-VHSXEESVSA-N 1 1 316.402 -1.617 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632276 917398623 /nfs/dbraw/zinc/39/86/23/917398623.db2.gz NIENEQQWZVZBFH-VHSXEESVSA-N 1 1 316.402 -1.617 20 0 DAADMO CC[C@]1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CCNC1=O ZINC001332631817 917399577 /nfs/dbraw/zinc/39/95/77/917399577.db2.gz KUVOXPGDQMRAEN-RISCZKNCSA-N 1 1 301.387 -1.354 20 0 DAADMO CCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332663032 917400675 /nfs/dbraw/zinc/40/06/75/917400675.db2.gz JORVAQBCBPCDNY-WDEREUQCSA-N 1 1 316.402 -1.472 20 0 DAADMO CCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332663032 917400683 /nfs/dbraw/zinc/40/06/83/917400683.db2.gz JORVAQBCBPCDNY-WDEREUQCSA-N 1 1 316.402 -1.472 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332665229 917401155 /nfs/dbraw/zinc/40/11/55/917401155.db2.gz YSQJGZYWBHAXMT-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332665229 917401165 /nfs/dbraw/zinc/40/11/65/917401165.db2.gz YSQJGZYWBHAXMT-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663472 917402620 /nfs/dbraw/zinc/40/26/20/917402620.db2.gz CZBJRCWLBFRJHB-ONGXEEELSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663472 917402629 /nfs/dbraw/zinc/40/26/29/917402629.db2.gz CZBJRCWLBFRJHB-ONGXEEELSA-N 1 1 314.386 -1.863 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001332683874 917405546 /nfs/dbraw/zinc/40/55/46/917405546.db2.gz IELDBVOUBVGJJT-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001332676412 917405810 /nfs/dbraw/zinc/40/58/10/917405810.db2.gz BHLRZIYOIAMIIZ-UWVGGRQHSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001332676412 917405818 /nfs/dbraw/zinc/40/58/18/917405818.db2.gz BHLRZIYOIAMIIZ-UWVGGRQHSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001332676414 917405981 /nfs/dbraw/zinc/40/59/81/917405981.db2.gz BHLRZIYOIAMIIZ-ZJUUUORDSA-N 1 1 318.349 -1.305 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001332676414 917405993 /nfs/dbraw/zinc/40/59/93/917405993.db2.gz BHLRZIYOIAMIIZ-ZJUUUORDSA-N 1 1 318.349 -1.305 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001332817080 917410715 /nfs/dbraw/zinc/41/07/15/917410715.db2.gz CYTJMOHJUSDJKL-FHUSYTEZSA-N 1 1 311.382 -1.027 20 0 DAADMO CO[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001332847874 917413751 /nfs/dbraw/zinc/41/37/51/917413751.db2.gz KDUYEWNNHCCRLV-RWMBFGLXSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1CCOCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001333028624 917420010 /nfs/dbraw/zinc/42/00/10/917420010.db2.gz VBDWYLMMYGNPIQ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1CCOCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001333028623 917420871 /nfs/dbraw/zinc/42/08/71/917420871.db2.gz VBDWYLMMYGNPIQ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ccc(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001333017524 917421579 /nfs/dbraw/zinc/42/15/79/917421579.db2.gz YQEJTNLIBZULNE-QWHCGFSZSA-N 1 1 321.381 -1.644 20 0 DAADMO C[C@]12C[N@@H+](CC3CN(S(C)(=O)=O)C3)C[C@@]1(C)C(=O)NC2=O ZINC001333183882 917426957 /nfs/dbraw/zinc/42/69/57/917426957.db2.gz PNHMBRGEQYXRTA-BETUJISGSA-N 1 1 315.395 -1.138 20 0 DAADMO CN(CCOCC[NH2+]Cc1cn(C)nn1)C(=O)c1ncn(C)n1 ZINC001333217959 917427290 /nfs/dbraw/zinc/42/72/90/917427290.db2.gz MJMCPRDJFZLEAE-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001333170786 917427393 /nfs/dbraw/zinc/42/73/93/917427393.db2.gz AVNBIUFDVBXKRI-OPRDCNLKSA-N 1 1 303.384 -1.502 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001333170786 917427399 /nfs/dbraw/zinc/42/73/99/917427399.db2.gz AVNBIUFDVBXKRI-OPRDCNLKSA-N 1 1 303.384 -1.502 20 0 DAADMO CN(CCOCC[NH2+]Cc1nncn1C)C(=O)c1cnn(C)n1 ZINC001333256722 917430076 /nfs/dbraw/zinc/43/00/76/917430076.db2.gz AKLBGCBIRHLKNI-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO C[C@]12C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@]1(C)C(=O)NC2=O ZINC001333226143 917430717 /nfs/dbraw/zinc/43/07/17/917430717.db2.gz VQPOZXZTMBRROY-RABLLNBGSA-N 1 1 312.366 -1.127 20 0 DAADMO CC(C)n1cc(C[NH2+]CCOCCN(C)C(=O)C(N)=O)nn1 ZINC001333245371 917430961 /nfs/dbraw/zinc/43/09/61/917430961.db2.gz MIZRWPGPYFRLPO-UHFFFAOYSA-N 1 1 312.374 -1.091 20 0 DAADMO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001333272609 917433235 /nfs/dbraw/zinc/43/32/35/917433235.db2.gz XUXFOSVACIRJCA-QMTHXVAHSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001333272609 917433247 /nfs/dbraw/zinc/43/32/47/917433247.db2.gz XUXFOSVACIRJCA-QMTHXVAHSA-N 1 1 313.354 -1.403 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001333326278 917435009 /nfs/dbraw/zinc/43/50/09/917435009.db2.gz BVTKRZQQNUMECZ-VXGBXAGGSA-N 1 1 313.354 -1.150 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001333326276 917435400 /nfs/dbraw/zinc/43/54/00/917435400.db2.gz BVTKRZQQNUMECZ-NEPJUHHUSA-N 1 1 313.354 -1.150 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001333378398 917437869 /nfs/dbraw/zinc/43/78/69/917437869.db2.gz MSRCFVGRLWFAAW-LBPRGKRZSA-N 1 1 310.398 -1.453 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC001333377638 917439454 /nfs/dbraw/zinc/43/94/54/917439454.db2.gz HZTVUOLCDUSWBD-WOSRLPQWSA-N 1 1 323.441 -1.584 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC1=CC[N@@H+](CCO)CC1)C(N)=O ZINC001333415310 917440519 /nfs/dbraw/zinc/44/05/19/917440519.db2.gz BWFKJYPIPQHXNS-LBPRGKRZSA-N 1 1 312.370 -1.893 20 0 DAADMO NC(=O)CN1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001333420688 917441450 /nfs/dbraw/zinc/44/14/50/917441450.db2.gz WVMVTCNWSODLED-UHFFFAOYSA-N 1 1 310.398 -1.058 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC001333499416 917444775 /nfs/dbraw/zinc/44/47/75/917444775.db2.gz QFHZZHVCZWPRDC-LBPRGKRZSA-N 1 1 316.383 -1.448 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001333447304 917445023 /nfs/dbraw/zinc/44/50/23/917445023.db2.gz ISPQHOZORCSMAX-SNVBAGLBSA-N 1 1 322.365 -1.243 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001333447304 917445032 /nfs/dbraw/zinc/44/50/32/917445032.db2.gz ISPQHOZORCSMAX-SNVBAGLBSA-N 1 1 322.365 -1.243 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@H]2COCCO2)CC1 ZINC001333730413 917457910 /nfs/dbraw/zinc/45/79/10/917457910.db2.gz RYUGPLLGOFTQIN-ZDUSSCGKSA-N 1 1 301.387 -1.218 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001333874341 917465616 /nfs/dbraw/zinc/46/56/16/917465616.db2.gz SHWCRAGOIDOJHK-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001333874341 917465622 /nfs/dbraw/zinc/46/56/22/917465622.db2.gz SHWCRAGOIDOJHK-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001333874342 917466071 /nfs/dbraw/zinc/46/60/71/917466071.db2.gz SHWCRAGOIDOJHK-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001333874342 917466078 /nfs/dbraw/zinc/46/60/78/917466078.db2.gz SHWCRAGOIDOJHK-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001333979356 917468816 /nfs/dbraw/zinc/46/88/16/917468816.db2.gz WMYXLJASKUDEDC-UTLUCORTSA-N 1 1 319.333 -1.551 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001333979356 917468834 /nfs/dbraw/zinc/46/88/34/917468834.db2.gz WMYXLJASKUDEDC-UTLUCORTSA-N 1 1 319.333 -1.551 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001333979353 917468903 /nfs/dbraw/zinc/46/89/03/917468903.db2.gz WMYXLJASKUDEDC-GUBZILKMSA-N 1 1 319.333 -1.551 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001333979353 917468922 /nfs/dbraw/zinc/46/89/22/917468922.db2.gz WMYXLJASKUDEDC-GUBZILKMSA-N 1 1 319.333 -1.551 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(O)(COCCO)CC1 ZINC001334046259 917471529 /nfs/dbraw/zinc/47/15/29/917471529.db2.gz MXJKJJLOLZCIED-UHFFFAOYSA-N 1 1 310.416 -1.239 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)cn1 ZINC001334057454 917472975 /nfs/dbraw/zinc/47/29/75/917472975.db2.gz ORKCMGNMIHGGQY-NEPJUHHUSA-N 1 1 320.397 -1.065 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)cn1 ZINC001334057454 917472992 /nfs/dbraw/zinc/47/29/92/917472992.db2.gz ORKCMGNMIHGGQY-NEPJUHHUSA-N 1 1 320.397 -1.065 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)cn1 ZINC001334057457 917475951 /nfs/dbraw/zinc/47/59/51/917475951.db2.gz ORKCMGNMIHGGQY-VXGBXAGGSA-N 1 1 320.397 -1.065 20 0 DAADMO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)cn1 ZINC001334057457 917475961 /nfs/dbraw/zinc/47/59/61/917475961.db2.gz ORKCMGNMIHGGQY-VXGBXAGGSA-N 1 1 320.397 -1.065 20 0 DAADMO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC001334451218 917489191 /nfs/dbraw/zinc/48/91/91/917489191.db2.gz QPIAJOABGFZQMO-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC001334451218 917489205 /nfs/dbraw/zinc/48/92/05/917489205.db2.gz QPIAJOABGFZQMO-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC001334451219 917490936 /nfs/dbraw/zinc/49/09/36/917490936.db2.gz QPIAJOABGFZQMO-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC001334451219 917490946 /nfs/dbraw/zinc/49/09/46/917490946.db2.gz QPIAJOABGFZQMO-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC001334452636 917491142 /nfs/dbraw/zinc/49/11/42/917491142.db2.gz YRKTYJYEAFWWDT-DCAQKATOSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC001334452636 917491151 /nfs/dbraw/zinc/49/11/51/917491151.db2.gz YRKTYJYEAFWWDT-DCAQKATOSA-N 1 1 313.354 -1.404 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001334451196 917491234 /nfs/dbraw/zinc/49/12/34/917491234.db2.gz QJRXJQJQUCNPMB-AXFHLTTASA-N 1 1 315.395 -1.690 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001334451196 917491246 /nfs/dbraw/zinc/49/12/46/917491246.db2.gz QJRXJQJQUCNPMB-AXFHLTTASA-N 1 1 315.395 -1.690 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNC(=O)C(N)=O)C1 ZINC001334500116 917493784 /nfs/dbraw/zinc/49/37/84/917493784.db2.gz IIYQTHYNNQBVHH-GHMZBOCLSA-N 1 1 314.386 -1.456 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)CNC(=O)C(N)=O)C1 ZINC001334500116 917493790 /nfs/dbraw/zinc/49/37/90/917493790.db2.gz IIYQTHYNNQBVHH-GHMZBOCLSA-N 1 1 314.386 -1.456 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001334567172 917496733 /nfs/dbraw/zinc/49/67/33/917496733.db2.gz VLEJHBFPFJUCIL-QWRGUYRKSA-N 1 1 309.388 -2.156 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001334567172 917496744 /nfs/dbraw/zinc/49/67/44/917496744.db2.gz VLEJHBFPFJUCIL-QWRGUYRKSA-N 1 1 309.388 -2.156 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001334567170 917497305 /nfs/dbraw/zinc/49/73/05/917497305.db2.gz VLEJHBFPFJUCIL-MNOVXSKESA-N 1 1 309.388 -2.156 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001334567170 917497311 /nfs/dbraw/zinc/49/73/11/917497311.db2.gz VLEJHBFPFJUCIL-MNOVXSKESA-N 1 1 309.388 -2.156 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC001334639239 917498629 /nfs/dbraw/zinc/49/86/29/917498629.db2.gz BVSNNVDWLFPQDM-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC001334639240 917500300 /nfs/dbraw/zinc/50/03/00/917500300.db2.gz BVSNNVDWLFPQDM-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001334786898 917508852 /nfs/dbraw/zinc/50/88/52/917508852.db2.gz NOJDNLNGSWRDIM-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001334786898 917508863 /nfs/dbraw/zinc/50/88/63/917508863.db2.gz NOJDNLNGSWRDIM-JTQLQIEISA-N 1 1 317.411 -1.158 20 0 DAADMO CNC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001334869894 917511938 /nfs/dbraw/zinc/51/19/38/917511938.db2.gz SRJCEUYWFBHWSB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001334869894 917511947 /nfs/dbraw/zinc/51/19/47/917511947.db2.gz SRJCEUYWFBHWSB-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)C[C@]2(C)C1 ZINC001335015764 917518760 /nfs/dbraw/zinc/51/87/60/917518760.db2.gz IGJJKUHUQXCNGR-ZETOZRRWSA-N 1 1 323.397 -1.334 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001335073398 917521773 /nfs/dbraw/zinc/52/17/73/917521773.db2.gz MMAJXWHEZLZPFI-GHMZBOCLSA-N 1 1 319.431 -1.272 20 0 DAADMO C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001335279666 917538786 /nfs/dbraw/zinc/53/87/86/917538786.db2.gz ZBQXFBDQQVUBQU-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H]1COCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001335575685 917553456 /nfs/dbraw/zinc/55/34/56/917553456.db2.gz NGAHOTGEAAAHHV-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001335654888 917557320 /nfs/dbraw/zinc/55/73/20/917557320.db2.gz HGDPUCPNOZCWJR-MXWKQRLJSA-N 1 1 322.365 -1.730 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001335654888 917557330 /nfs/dbraw/zinc/55/73/30/917557330.db2.gz HGDPUCPNOZCWJR-MXWKQRLJSA-N 1 1 322.365 -1.730 20 0 DAADMO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001335801852 917561201 /nfs/dbraw/zinc/56/12/01/917561201.db2.gz MFKNYGFKCVVBDJ-RQJABVFESA-N 1 1 324.425 -1.103 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001335751726 917561716 /nfs/dbraw/zinc/56/17/16/917561716.db2.gz RCFJOLZFWYEWIC-UMSGYPCISA-N 1 1 309.414 -1.643 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001336228434 917573473 /nfs/dbraw/zinc/57/34/73/917573473.db2.gz BUDZKCYDGRGDKC-DFBGVHRSSA-N 1 1 313.398 -1.354 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001336228434 917573491 /nfs/dbraw/zinc/57/34/91/917573491.db2.gz BUDZKCYDGRGDKC-DFBGVHRSSA-N 1 1 313.398 -1.354 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC001336299998 917576683 /nfs/dbraw/zinc/57/66/83/917576683.db2.gz YIQGHBVOANZDKK-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001336331217 917580122 /nfs/dbraw/zinc/58/01/22/917580122.db2.gz YHFBGSDBMAIAIG-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001336331217 917580129 /nfs/dbraw/zinc/58/01/29/917580129.db2.gz YHFBGSDBMAIAIG-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001336365561 917580583 /nfs/dbraw/zinc/58/05/83/917580583.db2.gz UETYQGDAZNERHS-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001336365561 917580589 /nfs/dbraw/zinc/58/05/89/917580589.db2.gz UETYQGDAZNERHS-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CC1(C)C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CO1 ZINC001336464859 917585501 /nfs/dbraw/zinc/58/55/01/917585501.db2.gz WFSOPJIIRGRGFR-SDDRHHMPSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001336558567 917592154 /nfs/dbraw/zinc/59/21/54/917592154.db2.gz XSYUWDBPRYCYBL-FRRDWIJNSA-N 1 1 311.430 -1.680 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001336558565 917592390 /nfs/dbraw/zinc/59/23/90/917592390.db2.gz XSYUWDBPRYCYBL-AGIUHOORSA-N 1 1 311.430 -1.680 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001336808491 917602415 /nfs/dbraw/zinc/60/24/15/917602415.db2.gz QRECQBDXKGDDEH-QCLAVDOMSA-N 1 1 302.352 -1.655 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001337215069 917612900 /nfs/dbraw/zinc/61/29/00/917612900.db2.gz UTBFFUFPJCAQLP-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001337215069 917612905 /nfs/dbraw/zinc/61/29/05/917612905.db2.gz UTBFFUFPJCAQLP-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599293 917632358 /nfs/dbraw/zinc/63/23/58/917632358.db2.gz GEJPQSJSTZVDQC-RKDXNWHRSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599293 917632369 /nfs/dbraw/zinc/63/23/69/917632369.db2.gz GEJPQSJSTZVDQC-RKDXNWHRSA-N 1 1 302.331 -3.214 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001337599206 917632827 /nfs/dbraw/zinc/63/28/27/917632827.db2.gz DSVFGAWJPHEBSK-VHSXEESVSA-N 1 1 300.359 -2.061 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001337612625 917635639 /nfs/dbraw/zinc/63/56/39/917635639.db2.gz YLHDWDMIPUGFIN-QWRGUYRKSA-N 1 1 314.386 -1.671 20 0 DAADMO CCOCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001337654913 917642069 /nfs/dbraw/zinc/64/20/69/917642069.db2.gz FTFIFJQAGLBVHW-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001337769113 917654068 /nfs/dbraw/zinc/65/40/68/917654068.db2.gz TZKRKDXQKVZUEQ-MNOVXSKESA-N 1 1 323.353 -2.079 20 0 DAADMO C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001338190023 917672044 /nfs/dbraw/zinc/67/20/44/917672044.db2.gz KYIABNWBUAIDCG-YVECIDJPSA-N 1 1 311.382 -1.364 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001338246101 917674751 /nfs/dbraw/zinc/67/47/51/917674751.db2.gz BYSKRHLSEMMUFM-FRRDWIJNSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001338246103 917675505 /nfs/dbraw/zinc/67/55/05/917675505.db2.gz BYSKRHLSEMMUFM-UPJWGTAASA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001338246102 917676489 /nfs/dbraw/zinc/67/64/89/917676489.db2.gz BYSKRHLSEMMUFM-JHJVBQTASA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001338456250 917683870 /nfs/dbraw/zinc/68/38/70/917683870.db2.gz NFKSTWIQOLIVHQ-BDAKNGLRSA-N 1 1 302.331 -3.262 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001338456250 917683879 /nfs/dbraw/zinc/68/38/79/917683879.db2.gz NFKSTWIQOLIVHQ-BDAKNGLRSA-N 1 1 302.331 -3.262 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001338598614 917699155 /nfs/dbraw/zinc/69/91/55/917699155.db2.gz YOMPFTKZUBJTMW-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)N(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001338786912 917706089 /nfs/dbraw/zinc/70/60/89/917706089.db2.gz GYFNXRGGTVSZMH-LLVKDONJSA-N 1 1 314.386 -1.502 20 0 DAADMO CC(C)N(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001338786912 917706096 /nfs/dbraw/zinc/70/60/96/917706096.db2.gz GYFNXRGGTVSZMH-LLVKDONJSA-N 1 1 314.386 -1.502 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847673 917707634 /nfs/dbraw/zinc/70/76/34/917707634.db2.gz VKLOTWHETDWHFU-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847673 917707649 /nfs/dbraw/zinc/70/76/49/917707649.db2.gz VKLOTWHETDWHFU-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847676 917708690 /nfs/dbraw/zinc/70/86/90/917708690.db2.gz VKLOTWHETDWHFU-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847676 917708702 /nfs/dbraw/zinc/70/87/02/917708702.db2.gz VKLOTWHETDWHFU-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H](C(=O)NCCOCCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001339449470 917715767 /nfs/dbraw/zinc/71/57/67/917715767.db2.gz UOFCBZLQFADDHS-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CCN1CC[NH+](CCC(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001339780318 917722292 /nfs/dbraw/zinc/72/22/92/917722292.db2.gz RDLGMKMXHRMQTR-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO CN1C[C@@H](C(=O)NCCCCN2CC[NH+](C)CC2)NCC1=O ZINC001340248516 917733603 /nfs/dbraw/zinc/73/36/03/917733603.db2.gz JLFWLYSIJRMCQE-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO CN1CCN(c2cc(CNC(=O)CNCC[NH3+])ccn2)CC1 ZINC001340241341 917733903 /nfs/dbraw/zinc/73/39/03/917733903.db2.gz PRIQUCHWSQUHNT-UHFFFAOYSA-N 1 1 306.414 -1.002 20 0 DAADMO CN(CC(F)F)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001340464507 917734033 /nfs/dbraw/zinc/73/40/33/917734033.db2.gz ICEWHJFGAYHJMM-UHFFFAOYSA-N 1 1 320.340 -1.010 20 0 DAADMO CN1CCN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340242046 917734288 /nfs/dbraw/zinc/73/42/88/917734288.db2.gz RWZQBGZHUHLLRF-ZDUSSCGKSA-N 1 1 311.430 -1.453 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1ncn(C)n1 ZINC001340618824 917737415 /nfs/dbraw/zinc/73/74/15/917737415.db2.gz YZTDODNRDQXPRF-UHFFFAOYSA-N 1 1 312.374 -1.484 20 0 DAADMO C[C@@H](CCCCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770665 917739843 /nfs/dbraw/zinc/73/98/43/917739843.db2.gz JCRGXIFFMNEDKH-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CCCCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C(N)=O ZINC001340770665 917739857 /nfs/dbraw/zinc/73/98/57/917739857.db2.gz JCRGXIFFMNEDKH-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC001340855465 917742135 /nfs/dbraw/zinc/74/21/35/917742135.db2.gz BQLISQVKCQVMJU-WCBMZHEXSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001340855465 917742142 /nfs/dbraw/zinc/74/21/42/917742142.db2.gz BQLISQVKCQVMJU-WCBMZHEXSA-N 1 1 311.342 -1.170 20 0 DAADMO C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340929836 917744975 /nfs/dbraw/zinc/74/49/75/917744975.db2.gz LXKMVVLMTGALJX-RBSFLKMASA-N 1 1 307.442 -1.119 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340929830 917745654 /nfs/dbraw/zinc/74/56/54/917745654.db2.gz LXKMVVLMTGALJX-KFWWJZLASA-N 1 1 307.442 -1.119 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001340961928 917746375 /nfs/dbraw/zinc/74/63/75/917746375.db2.gz JPQITVLAVCFCRQ-SECBINFHSA-N 1 1 304.372 -1.448 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340929827 917746423 /nfs/dbraw/zinc/74/64/23/917746423.db2.gz LXKMVVLMTGALJX-ILXRZTDVSA-N 1 1 307.442 -1.119 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)O1 ZINC001341032179 917747701 /nfs/dbraw/zinc/74/77/01/917747701.db2.gz QXEMMWRJQVTDAF-WCQGTBRESA-N 1 1 324.381 -1.512 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H](CO)C1 ZINC001341182586 917748384 /nfs/dbraw/zinc/74/83/84/917748384.db2.gz OWKSMLOAYCSBTF-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001341649473 917760789 /nfs/dbraw/zinc/76/07/89/917760789.db2.gz MCQPWSVSCYEYRE-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001341770354 917764056 /nfs/dbraw/zinc/76/40/56/917764056.db2.gz RTJFMQYMWGHYAI-UWVGGRQHSA-N 1 1 311.386 -1.146 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC001341758111 917764316 /nfs/dbraw/zinc/76/43/16/917764316.db2.gz FFKDBUIFGFEVBH-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO COC1(OC)CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001341834891 917766031 /nfs/dbraw/zinc/76/60/31/917766031.db2.gz BPBWEGOOEHENBE-JTQLQIEISA-N 1 1 301.343 -1.016 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001341770356 917767167 /nfs/dbraw/zinc/76/71/67/917767167.db2.gz RTJFMQYMWGHYAI-ZJUUUORDSA-N 1 1 311.386 -1.146 20 0 DAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC001341893482 917768618 /nfs/dbraw/zinc/76/86/18/917768618.db2.gz HBJLKFIZCRNJBN-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC001341893482 917768631 /nfs/dbraw/zinc/76/86/31/917768631.db2.gz HBJLKFIZCRNJBN-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC001341893483 917770541 /nfs/dbraw/zinc/77/05/41/917770541.db2.gz HBJLKFIZCRNJBN-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC001341893483 917770556 /nfs/dbraw/zinc/77/05/56/917770556.db2.gz HBJLKFIZCRNJBN-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@H](C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001341945661 917771531 /nfs/dbraw/zinc/77/15/31/917771531.db2.gz NLUMXQPYMOIUKZ-GHMZBOCLSA-N 1 1 309.370 -1.615 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)[C@H]2CCNC2=O)n1C ZINC001341986553 917772890 /nfs/dbraw/zinc/77/28/90/917772890.db2.gz IGQHLPWVTUZFHM-JTQLQIEISA-N 1 1 322.369 -1.551 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)[C@@H]2CCNC2=O)n1C ZINC001341986555 917773486 /nfs/dbraw/zinc/77/34/86/917773486.db2.gz IGQHLPWVTUZFHM-SNVBAGLBSA-N 1 1 322.369 -1.551 20 0 DAADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001342410879 917785430 /nfs/dbraw/zinc/78/54/30/917785430.db2.gz NNKGYDNPSAEKSU-UHFFFAOYSA-N 1 1 320.357 -1.120 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001342734972 917788545 /nfs/dbraw/zinc/78/85/45/917788545.db2.gz QVPMPFXBTJCYSR-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001342729742 917788624 /nfs/dbraw/zinc/78/86/24/917788624.db2.gz LGSZPAKRPMAAEK-OPASDULOSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001342729742 917788642 /nfs/dbraw/zinc/78/86/42/917788642.db2.gz LGSZPAKRPMAAEK-OPASDULOSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC001342571622 917788953 /nfs/dbraw/zinc/78/89/53/917788953.db2.gz VNEBCBOQFDKCOQ-HNNXBMFYSA-N 1 1 320.349 -1.093 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)N1CC2(C1)NC(=O)NC2=O ZINC001342948623 917793575 /nfs/dbraw/zinc/79/35/75/917793575.db2.gz YXCHVNZZXAIMPG-UHFFFAOYSA-N 1 1 313.383 -1.361 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001343272067 917799279 /nfs/dbraw/zinc/79/92/79/917799279.db2.gz RJFANJGBENRGMA-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO COC[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)OC ZINC001343322570 917803684 /nfs/dbraw/zinc/80/36/84/917803684.db2.gz JLAXQWDUHGQZMX-NSHDSACASA-N 1 1 319.427 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC001343309631 917804038 /nfs/dbraw/zinc/80/40/38/917804038.db2.gz BZAHIGMEGQKACK-SNVBAGLBSA-N 1 1 322.369 -1.534 20 0 DAADMO COCC[NH2+]C1CCN(C(=O)C2CNCCS2(=O)=O)CC1 ZINC001343920735 917817019 /nfs/dbraw/zinc/81/70/19/917817019.db2.gz YGMNINFAPXBATJ-GFCCVEGCSA-N 1 1 319.427 -1.400 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@H+](CCNS(C)(=O)=O)C1 ZINC001343904667 917818501 /nfs/dbraw/zinc/81/85/01/917818501.db2.gz GIHNCMXZBVDYOJ-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCNS(C)(=O)=O)C1 ZINC001343904667 917818515 /nfs/dbraw/zinc/81/85/15/917818515.db2.gz GIHNCMXZBVDYOJ-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)C1 ZINC001343915966 917818537 /nfs/dbraw/zinc/81/85/37/917818537.db2.gz JIVLRHZTEPPFQI-SNVBAGLBSA-N 1 1 310.358 -1.101 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185160 917824429 /nfs/dbraw/zinc/82/44/29/917824429.db2.gz NFWZAXQTZJYAFG-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185160 917824440 /nfs/dbraw/zinc/82/44/40/917824440.db2.gz NFWZAXQTZJYAFG-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO Cc1noc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001344796749 917833786 /nfs/dbraw/zinc/83/37/86/917833786.db2.gz XPPFHTKKIWSFOO-UHFFFAOYSA-N 1 1 311.342 -1.167 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001345033056 917835889 /nfs/dbraw/zinc/83/58/89/917835889.db2.gz DGPPAXVSVRIVKW-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)C(N)=O ZINC001345163981 917838844 /nfs/dbraw/zinc/83/88/44/917838844.db2.gz JWXDCCYENQFJRC-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001345710806 917854059 /nfs/dbraw/zinc/85/40/59/917854059.db2.gz APCHSKUBWHJGJQ-LLVKDONJSA-N 1 1 324.381 -1.197 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001345770825 917856199 /nfs/dbraw/zinc/85/61/99/917856199.db2.gz AYUYZKKLEJVXPG-GHMZBOCLSA-N 1 1 314.386 -1.720 20 0 DAADMO [NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001345957985 917865896 /nfs/dbraw/zinc/86/58/96/917865896.db2.gz FYQIMKTUIUGKCO-STQMWFEESA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCN1C ZINC001346096291 917867463 /nfs/dbraw/zinc/86/74/63/917867463.db2.gz RMTXLWRYSOXZOB-WDEREUQCSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001346096291 917867487 /nfs/dbraw/zinc/86/74/87/917867487.db2.gz RMTXLWRYSOXZOB-WDEREUQCSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001346096291 917867497 /nfs/dbraw/zinc/86/74/97/917867497.db2.gz RMTXLWRYSOXZOB-WDEREUQCSA-N 1 1 321.447 -1.531 20 0 DAADMO Cn1cnc(CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])n1 ZINC001345994066 917869324 /nfs/dbraw/zinc/86/93/24/917869324.db2.gz VTPQCYTTXRBLIQ-UHFFFAOYSA-N 1 1 304.301 -1.426 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001346195435 917874770 /nfs/dbraw/zinc/87/47/70/917874770.db2.gz PFJYWWOWWPXWSC-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001346277559 917880855 /nfs/dbraw/zinc/88/08/55/917880855.db2.gz PZIGFEVQODGCDT-LBPRGKRZSA-N 1 1 313.402 -2.009 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001346257239 917881071 /nfs/dbraw/zinc/88/10/71/917881071.db2.gz WVAXPVXYRMITBM-QWRGUYRKSA-N 1 1 321.381 -1.425 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001346315139 917882215 /nfs/dbraw/zinc/88/22/15/917882215.db2.gz HWECZFZYHPWHRW-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001346315137 917883798 /nfs/dbraw/zinc/88/37/98/917883798.db2.gz HWECZFZYHPWHRW-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC1 ZINC001346365026 917886386 /nfs/dbraw/zinc/88/63/86/917886386.db2.gz SYEJOKASTCSOKF-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC001346864395 917900413 /nfs/dbraw/zinc/90/04/13/917900413.db2.gz VOYGXCLXQDDQMA-NSHDSACASA-N 1 1 321.447 -1.866 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347141790 917912114 /nfs/dbraw/zinc/91/21/14/917912114.db2.gz XEFAFDQDIQAYMT-MNOVXSKESA-N 1 1 304.416 -1.570 20 0 DAADMO C[N@@H+]1CC=C(CNC(=O)NCCOCCS(N)(=O)=O)CC1 ZINC001347284163 917914995 /nfs/dbraw/zinc/91/49/95/917914995.db2.gz WKQKBRIZKUWJAI-UHFFFAOYSA-N 1 1 320.415 -1.147 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001347484578 917919166 /nfs/dbraw/zinc/91/91/66/917919166.db2.gz AQFNMGHRUKDWIF-VPWBDBDCSA-N 1 1 323.393 -1.051 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC001347537547 917920948 /nfs/dbraw/zinc/92/09/48/917920948.db2.gz LUPXBUXEBZWGPB-ADEWGFFLSA-N 1 1 306.366 -1.219 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCCS(N)(=O)=O ZINC001347639594 917922192 /nfs/dbraw/zinc/92/21/92/917922192.db2.gz QHGOTGNOXFZUFW-QWRGUYRKSA-N 1 1 304.416 -1.440 20 0 DAADMO CCN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@@H+](C)C1 ZINC001347644081 917922444 /nfs/dbraw/zinc/92/24/44/917922444.db2.gz PAUDRODBBRWGIX-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CCN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@@H+](C)C1 ZINC001347644082 917923747 /nfs/dbraw/zinc/92/37/47/917923747.db2.gz PAUDRODBBRWGIX-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCS(N)(=O)=O ZINC001347639592 917924551 /nfs/dbraw/zinc/92/45/51/917924551.db2.gz QHGOTGNOXFZUFW-GHMZBOCLSA-N 1 1 304.416 -1.440 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC001347915560 917925412 /nfs/dbraw/zinc/92/54/12/917925412.db2.gz AZHKTOGQSOORDH-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO COCCOCCN(CCO)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347851733 917925600 /nfs/dbraw/zinc/92/56/00/917925600.db2.gz LWDDPEHERFHNKR-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO COCCOCCN(CCO)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347851731 917927330 /nfs/dbraw/zinc/92/73/30/917927330.db2.gz LWDDPEHERFHNKR-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001348485056 917951121 /nfs/dbraw/zinc/95/11/21/917951121.db2.gz NMHNMLKFHXQVIE-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CN1C(=O)CS/C1=C/C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001348581603 917955279 /nfs/dbraw/zinc/95/52/79/917955279.db2.gz IGQQBHQYZSBLFL-NTUHNPAUSA-N 1 1 312.395 -1.077 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001348647528 917962231 /nfs/dbraw/zinc/96/22/31/917962231.db2.gz DEPFMFWLDICFKE-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001348648321 917962646 /nfs/dbraw/zinc/96/26/46/917962646.db2.gz SDWCXHAXHHIXHQ-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC(=O)NC1=O ZINC001348649226 917962887 /nfs/dbraw/zinc/96/28/87/917962887.db2.gz YFUCFPAPISMSJV-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO Cc1c(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001348702430 917964188 /nfs/dbraw/zinc/96/41/88/917964188.db2.gz ZMIQDZIEZKIKQI-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO Cc1c(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001348702430 917964204 /nfs/dbraw/zinc/96/42/04/917964204.db2.gz ZMIQDZIEZKIKQI-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO Cn1cc(CCC(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001348701106 917964759 /nfs/dbraw/zinc/96/47/59/917964759.db2.gz NFFRRAPFMACTFV-GFCCVEGCSA-N 1 1 324.385 -1.689 20 0 DAADMO Cn1cc(CCC(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001348701106 917964768 /nfs/dbraw/zinc/96/47/68/917964768.db2.gz NFFRRAPFMACTFV-GFCCVEGCSA-N 1 1 324.385 -1.689 20 0 DAADMO Cn1cc(CCC(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001348701108 917965057 /nfs/dbraw/zinc/96/50/57/917965057.db2.gz NFFRRAPFMACTFV-LBPRGKRZSA-N 1 1 324.385 -1.689 20 0 DAADMO Cn1cc(CCC(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001348701108 917965077 /nfs/dbraw/zinc/96/50/77/917965077.db2.gz NFFRRAPFMACTFV-LBPRGKRZSA-N 1 1 324.385 -1.689 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001348988292 917983545 /nfs/dbraw/zinc/98/35/45/917983545.db2.gz ZDASTDXHSGQDFF-OLZOCXBDSA-N 1 1 304.387 -1.075 20 0 DAADMO Cn1cc(OCC(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001349025213 917986494 /nfs/dbraw/zinc/98/64/94/917986494.db2.gz QOQWDJDOGHRRKI-NSHDSACASA-N 1 1 309.370 -1.017 20 0 DAADMO Cn1cc(OCC(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001349025211 917987554 /nfs/dbraw/zinc/98/75/54/917987554.db2.gz QOQWDJDOGHRRKI-LLVKDONJSA-N 1 1 309.370 -1.017 20 0 DAADMO O=C(NCCCn1cncn1)C(=O)NCCC[NH+]1CCOCC1 ZINC001349007219 917987908 /nfs/dbraw/zinc/98/79/08/917987908.db2.gz SRWMPQCMHRZSOR-UHFFFAOYSA-N 1 1 324.385 -1.377 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001349109675 917995933 /nfs/dbraw/zinc/99/59/33/917995933.db2.gz JNZBRBMOMZUUMJ-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349173567 917998062 /nfs/dbraw/zinc/99/80/62/917998062.db2.gz HRYBDUDZWGKHMG-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349243026 918005106 /nfs/dbraw/zinc/00/51/06/918005106.db2.gz ADZQHODUYIPFLE-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349243028 918006817 /nfs/dbraw/zinc/00/68/17/918006817.db2.gz ADZQHODUYIPFLE-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCNC(=O)C(=O)NCC(F)F ZINC001349276087 918009183 /nfs/dbraw/zinc/00/91/83/918009183.db2.gz WBOUTTORANUQAJ-UHFFFAOYSA-N 1 1 308.329 -1.058 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001349370973 918013911 /nfs/dbraw/zinc/01/39/11/918013911.db2.gz LQKVUNJJAGOLTG-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CCn1cc(C(=O)NCCNC(=O)CC[NH+]2CCOCC2)nn1 ZINC001349336535 918014230 /nfs/dbraw/zinc/01/42/30/918014230.db2.gz USJSIRYJXQEJHG-UHFFFAOYSA-N 1 1 324.385 -1.134 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001349335080 918014369 /nfs/dbraw/zinc/01/43/69/918014369.db2.gz HSNMUWDEXXLQEP-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)c1ccc(=O)n(C)n1 ZINC001349348603 918014786 /nfs/dbraw/zinc/01/47/86/918014786.db2.gz QQZXZXKWKXUIER-UHFFFAOYSA-N 1 1 318.337 -1.169 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nnc[nH]2)C1 ZINC001349483817 918018959 /nfs/dbraw/zinc/01/89/59/918018959.db2.gz VGEXKKMUNDCWOK-SNVBAGLBSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)O1 ZINC001349498156 918021942 /nfs/dbraw/zinc/02/19/42/918021942.db2.gz WNHSHYSAQDUFKW-SJHCENCUSA-N 1 1 311.382 -1.054 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCn2cnnn2)C1 ZINC001349515868 918022163 /nfs/dbraw/zinc/02/21/63/918022163.db2.gz WIGFTVSGNHKAEE-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001349649265 918027277 /nfs/dbraw/zinc/02/72/77/918027277.db2.gz CGHUOLOGLACKSG-UHFFFAOYSA-N 1 1 319.387 -1.138 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cn(C)nn1 ZINC001349663834 918030685 /nfs/dbraw/zinc/03/06/85/918030685.db2.gz OKMREHJZVHFJJF-UHFFFAOYSA-N 1 1 312.374 -1.484 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cn(C)nn2)C1 ZINC001349663816 918031241 /nfs/dbraw/zinc/03/12/41/918031241.db2.gz ODGYYZKYBBKGFH-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCOCC3)C[C@H]2C1=O ZINC001349689061 918032962 /nfs/dbraw/zinc/03/29/62/918032962.db2.gz GAKLTUOLDHYVLR-UTUOFQBUSA-N 1 1 312.366 -1.175 20 0 DAADMO [NH3+]CCOCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001349892860 918040690 /nfs/dbraw/zinc/04/06/90/918040690.db2.gz IMVAEOYYWDYIQA-AWEZNQCLSA-N 1 1 314.430 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)C(C)(C)C(N)=O)C1 ZINC001349854753 918041150 /nfs/dbraw/zinc/04/11/50/918041150.db2.gz CVDFQEYQNQSOCA-SNVBAGLBSA-N 1 1 314.386 -1.549 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)C(C)(C)C(N)=O)C1 ZINC001349854753 918041171 /nfs/dbraw/zinc/04/11/71/918041171.db2.gz CVDFQEYQNQSOCA-SNVBAGLBSA-N 1 1 314.386 -1.549 20 0 DAADMO [NH3+]CCOCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001349892862 918041645 /nfs/dbraw/zinc/04/16/45/918041645.db2.gz IMVAEOYYWDYIQA-CQSZACIVSA-N 1 1 314.430 -1.126 20 0 DAADMO CCn1ncc(C(=O)NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001349851736 918042237 /nfs/dbraw/zinc/04/22/37/918042237.db2.gz OJFQQMXFEDMPPM-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1ncc(C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001349851736 918042246 /nfs/dbraw/zinc/04/22/46/918042246.db2.gz OJFQQMXFEDMPPM-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO O=C(NCCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[C@H]1CNC(=O)N1 ZINC001350342614 918060000 /nfs/dbraw/zinc/06/00/00/918060000.db2.gz WTSASNYWUUOEIP-ABAIWWIYSA-N 1 1 323.397 -1.224 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC001351077834 918083228 /nfs/dbraw/zinc/08/32/28/918083228.db2.gz HJIYNIWRKGWICH-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO CCOCCOCC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001351150591 918083411 /nfs/dbraw/zinc/08/34/11/918083411.db2.gz FUVOFQHGBWUQCT-UHFFFAOYSA-N 1 1 309.432 -1.054 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1=O ZINC001351140516 918083458 /nfs/dbraw/zinc/08/34/58/918083458.db2.gz CNPXEUOUARZHKF-ZETOZRRWSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1=O ZINC001351140511 918084099 /nfs/dbraw/zinc/08/40/99/918084099.db2.gz CNPXEUOUARZHKF-HFAKWTLXSA-N 1 1 308.382 -1.257 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)CO)CC1 ZINC001351118307 918084516 /nfs/dbraw/zinc/08/45/16/918084516.db2.gz NDLASALYOYHTJM-STQMWFEESA-N 1 1 303.403 -1.502 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCCNC(=O)Cn1cnnn1 ZINC001351225348 918086178 /nfs/dbraw/zinc/08/61/78/918086178.db2.gz FEZZORIWKDMIGF-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CN(CCCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001351226624 918086459 /nfs/dbraw/zinc/08/64/59/918086459.db2.gz ZEGYXJVLSYFUKR-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)CC(=O)N(C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001351345998 918089285 /nfs/dbraw/zinc/08/92/85/918089285.db2.gz UMOMJEOJXDTUEE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)N(C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001351345998 918089296 /nfs/dbraw/zinc/08/92/96/918089296.db2.gz UMOMJEOJXDTUEE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001351509959 918093690 /nfs/dbraw/zinc/09/36/90/918093690.db2.gz QMUGUNLVWNEHKG-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001351509961 918094269 /nfs/dbraw/zinc/09/42/69/918094269.db2.gz QMUGUNLVWNEHKG-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001351550545 918095766 /nfs/dbraw/zinc/09/57/66/918095766.db2.gz GLJVVCUQSYRZIZ-GFCCVEGCSA-N 1 1 310.398 -1.166 20 0 DAADMO CNC(=O)NCC(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001351586074 918099302 /nfs/dbraw/zinc/09/93/02/918099302.db2.gz PQZOPFRPVSSFAP-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001351608103 918099497 /nfs/dbraw/zinc/09/94/97/918099497.db2.gz XUKLUWMDKOWESB-LLVKDONJSA-N 1 1 322.365 -1.185 20 0 DAADMO CN(C)c1ncncc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001351606072 918101023 /nfs/dbraw/zinc/10/10/23/918101023.db2.gz SHXBCMUHXRDMQG-JTQLQIEISA-N 1 1 322.369 -1.336 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)CC3)CC[C@H]21 ZINC001351836382 918110131 /nfs/dbraw/zinc/11/01/31/918110131.db2.gz PKKDGDPKVPXSLC-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1cc(CO)nn1 ZINC001352209819 918118052 /nfs/dbraw/zinc/11/80/52/918118052.db2.gz QLPJPLVJUNZKAP-WCQYABFASA-N 1 1 308.386 -1.335 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1cc(CO)nn1 ZINC001352209817 918118732 /nfs/dbraw/zinc/11/87/32/918118732.db2.gz QLPJPLVJUNZKAP-AAEUAGOBSA-N 1 1 308.386 -1.335 20 0 DAADMO CNC(=O)NCCC(=O)NCCC[NH+]1CCN(C(C)=O)CC1 ZINC001352659421 918124565 /nfs/dbraw/zinc/12/45/65/918124565.db2.gz JIWYRYFEFUTUEF-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO NC(=O)CC(=O)N1CC[NH+](CCCNC(=O)c2cnon2)CC1 ZINC001352673755 918125048 /nfs/dbraw/zinc/12/50/48/918125048.db2.gz JDYYLQGZSCIWBI-UHFFFAOYSA-N 1 1 324.341 -1.791 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC001352797684 918130129 /nfs/dbraw/zinc/13/01/29/918130129.db2.gz LCYSQSNHVRSVPX-KBPBESRZSA-N 1 1 324.425 -1.006 20 0 DAADMO [NH3+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001352797684 918130138 /nfs/dbraw/zinc/13/01/38/918130138.db2.gz LCYSQSNHVRSVPX-KBPBESRZSA-N 1 1 324.425 -1.006 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C2(C(=O)NC3CC3)CC2)CC1 ZINC001352840994 918134217 /nfs/dbraw/zinc/13/42/17/918134217.db2.gz AGUDJHPBBVGPLC-UHFFFAOYSA-N 1 1 308.382 -1.065 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCN(C3C[NH+](C)C3)CC2)C1=O ZINC001352910431 918135365 /nfs/dbraw/zinc/13/53/65/918135365.db2.gz HQTPWWSXXUFUOQ-UHFFFAOYSA-N 1 1 323.353 -2.135 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001353473529 918151108 /nfs/dbraw/zinc/15/11/08/918151108.db2.gz MXNLCAXIZAGADS-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)[C@@H]1CNCCS1(=O)=O ZINC001353571491 918153466 /nfs/dbraw/zinc/15/34/66/918153466.db2.gz QABYXBBPFVLXQV-NSHDSACASA-N 1 1 307.416 -1.543 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CNCCS1(=O)=O ZINC001353571491 918153474 /nfs/dbraw/zinc/15/34/74/918153474.db2.gz QABYXBBPFVLXQV-NSHDSACASA-N 1 1 307.416 -1.543 20 0 DAADMO C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001353883946 918163430 /nfs/dbraw/zinc/16/34/30/918163430.db2.gz PTKXFISFUZNLBX-VXGBXAGGSA-N 1 1 323.397 -1.323 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)N1C(=O)CCC1=O ZINC001354169393 918167363 /nfs/dbraw/zinc/16/73/63/918167363.db2.gz HDSICWKMRWWRED-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001354310656 918171165 /nfs/dbraw/zinc/17/11/65/918171165.db2.gz KFZLRIUTIDUVBP-QMMMGPOBSA-N 1 1 311.342 -1.154 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317789 918174121 /nfs/dbraw/zinc/17/41/21/918174121.db2.gz DQNYNTRRPZKCPO-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CC(=O)N(C)C ZINC001354317789 918174134 /nfs/dbraw/zinc/17/41/34/918174134.db2.gz DQNYNTRRPZKCPO-GHMZBOCLSA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449425 918175845 /nfs/dbraw/zinc/17/58/45/918175845.db2.gz YVABCLJKKRWQBK-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CC(=O)NC)C1 ZINC001354449425 918175855 /nfs/dbraw/zinc/17/58/55/918175855.db2.gz YVABCLJKKRWQBK-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC001354915565 918193966 /nfs/dbraw/zinc/19/39/66/918193966.db2.gz RATVJBCTKDWULK-VWYCJHECSA-N 1 1 313.354 -1.811 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC001354915565 918193988 /nfs/dbraw/zinc/19/39/88/918193988.db2.gz RATVJBCTKDWULK-VWYCJHECSA-N 1 1 313.354 -1.811 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCNC(=O)C(N)=O)C2 ZINC001355866027 918212869 /nfs/dbraw/zinc/21/28/69/918212869.db2.gz ILDRVLMBERJQPO-SNVBAGLBSA-N 1 1 307.354 -1.186 20 0 DAADMO CC[C@H](CNC(=O)CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001356875683 918259338 /nfs/dbraw/zinc/25/93/38/918259338.db2.gz VTSIRXUEROQHGV-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO CC[C@H](CNC(=O)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001356918777 918262830 /nfs/dbraw/zinc/26/28/30/918262830.db2.gz JZWZKWLVCAIVOV-MRVPVSSYSA-N 1 1 311.342 -1.154 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC(N)=O)C1 ZINC001357400506 918284787 /nfs/dbraw/zinc/28/47/87/918284787.db2.gz STKYRAFGKZFQJA-NXEZZACHSA-N 1 1 300.359 -2.203 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001357399295 918285798 /nfs/dbraw/zinc/28/57/98/918285798.db2.gz HHSSKZAAAJAGFE-VHSXEESVSA-N 1 1 300.359 -2.061 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC001357452640 918292612 /nfs/dbraw/zinc/29/26/12/918292612.db2.gz HBJDNYXZYCBLND-WCQYABFASA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1nnnc1CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001357752477 918303995 /nfs/dbraw/zinc/30/39/95/918303995.db2.gz VQUMKDBZMWHUNF-NSHDSACASA-N 1 1 310.406 -1.312 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696386 918305148 /nfs/dbraw/zinc/30/51/48/918305148.db2.gz OCGFWQBVEMTZRG-VUDBWIFFSA-N 1 1 322.369 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696386 918305165 /nfs/dbraw/zinc/30/51/65/918305165.db2.gz OCGFWQBVEMTZRG-VUDBWIFFSA-N 1 1 322.369 -1.534 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](O)c2cnn(C)c2)CC1 ZINC001361626675 918385805 /nfs/dbraw/zinc/38/58/05/918385805.db2.gz JFMBQXICPGCXKD-CYBMUJFWSA-N 1 1 309.370 -1.220 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001361742553 918399193 /nfs/dbraw/zinc/39/91/93/918399193.db2.gz UIALYDYQEDEDIU-QWRGUYRKSA-N 1 1 300.359 -1.661 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001361742541 918399928 /nfs/dbraw/zinc/39/99/28/918399928.db2.gz UIALYDYQEDEDIU-GHMZBOCLSA-N 1 1 300.359 -1.661 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001361775065 918403890 /nfs/dbraw/zinc/40/38/90/918403890.db2.gz NUXBWWDDCLCUMP-UHFFFAOYSA-N 1 1 318.399 -1.866 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(O)COC3)CC2)CC1 ZINC001361798408 918407928 /nfs/dbraw/zinc/40/79/28/918407928.db2.gz XNCQQCCYQKXCJS-UHFFFAOYSA-N 1 1 312.370 -1.741 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361831241 918412848 /nfs/dbraw/zinc/41/28/48/918412848.db2.gz SDKBAVQUHSRRJR-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001361832049 918414937 /nfs/dbraw/zinc/41/49/37/918414937.db2.gz GINLVRCBSGPWRY-GHMZBOCLSA-N 1 1 324.389 -2.460 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2cnc(N)n2)CC1 ZINC001361912842 918425228 /nfs/dbraw/zinc/42/52/28/918425228.db2.gz KWIUTLYVAUPFAT-UHFFFAOYSA-N 1 1 309.374 -1.471 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)C1 ZINC001361945438 918430203 /nfs/dbraw/zinc/43/02/03/918430203.db2.gz LYDMABGYXGZPJL-SECBINFHSA-N 1 1 323.353 -1.352 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001361937615 918430719 /nfs/dbraw/zinc/43/07/19/918430719.db2.gz QROKJVHWZWHCEN-WOPDTQHZSA-N 1 1 321.385 -1.079 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001361962996 918434049 /nfs/dbraw/zinc/43/40/49/918434049.db2.gz TXFXCSGMBDXGBN-QWHCGFSZSA-N 1 1 311.386 -1.788 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)[N@@H+](C)C1CC1 ZINC001362017949 918439152 /nfs/dbraw/zinc/43/91/52/918439152.db2.gz DRKQCDNDTJLWJA-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001362057766 918446673 /nfs/dbraw/zinc/44/66/73/918446673.db2.gz IGBMYJGFXNOOSG-GRYCIOLGSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001362057770 918446981 /nfs/dbraw/zinc/44/69/81/918446981.db2.gz IGBMYJGFXNOOSG-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362060174 918450726 /nfs/dbraw/zinc/45/07/26/918450726.db2.gz BXRLIPQGVXBJBT-SNVBAGLBSA-N 1 1 315.374 -2.316 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001362077899 918452668 /nfs/dbraw/zinc/45/26/68/918452668.db2.gz LFCRXZNZOTZSQG-NWDGAFQWSA-N 1 1 314.386 -1.271 20 0 DAADMO C[NH+](C)CCN1CCC(CNC(=O)Cn2nnc(N)n2)CC1 ZINC001362078708 918454283 /nfs/dbraw/zinc/45/42/83/918454283.db2.gz PWDAMMCNHUBZCJ-UHFFFAOYSA-N 1 1 310.406 -1.355 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001362104310 918458361 /nfs/dbraw/zinc/45/83/61/918458361.db2.gz LIWFEGXESOXIEZ-QWRGUYRKSA-N 1 1 304.416 -1.017 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001362142239 918467316 /nfs/dbraw/zinc/46/73/16/918467316.db2.gz GPLTZJKFDYZOBF-GFCCVEGCSA-N 1 1 308.386 -1.049 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138235 918468111 /nfs/dbraw/zinc/46/81/11/918468111.db2.gz KDQHNSPZEZGSDY-SNVBAGLBSA-N 1 1 308.390 -1.460 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362138235 918468120 /nfs/dbraw/zinc/46/81/20/918468120.db2.gz KDQHNSPZEZGSDY-SNVBAGLBSA-N 1 1 308.390 -1.460 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001362168841 918469967 /nfs/dbraw/zinc/46/99/67/918469967.db2.gz HQMMFBRKJZPJBO-SECBINFHSA-N 1 1 323.353 -1.400 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001362168841 918469974 /nfs/dbraw/zinc/46/99/74/918469974.db2.gz HQMMFBRKJZPJBO-SECBINFHSA-N 1 1 323.353 -1.400 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001362171055 918472432 /nfs/dbraw/zinc/47/24/32/918472432.db2.gz FEDUWWAYDXLJKI-GMTAPVOTSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](NC(=O)C1(S(N)(=O)=O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001362188423 918476363 /nfs/dbraw/zinc/47/63/63/918476363.db2.gz VHNJQOKMVKKUSP-VHSXEESVSA-N 1 1 304.416 -1.442 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001362207649 918477209 /nfs/dbraw/zinc/47/72/09/918477209.db2.gz KQOWOGNNXUCXOT-SWLSCSKDSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1C(N)=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001362229226 918480857 /nfs/dbraw/zinc/48/08/57/918480857.db2.gz BFGFVWUGUWKRHK-ZJUUUORDSA-N 1 1 306.370 -1.060 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001362319644 918497024 /nfs/dbraw/zinc/49/70/24/918497024.db2.gz NKRHRICNGHGAQK-CYBMUJFWSA-N 1 1 302.396 -1.006 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001362363803 918507078 /nfs/dbraw/zinc/50/70/78/918507078.db2.gz DTAMKODUOCTJBQ-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1nc2ncc(CCO)cn2n1 ZINC001362376755 918508671 /nfs/dbraw/zinc/50/86/71/918508671.db2.gz QSFWHUYKPKUQGP-UHFFFAOYSA-N 1 1 322.369 -1.297 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001362403041 918513567 /nfs/dbraw/zinc/51/35/67/918513567.db2.gz KZGOCKIWKJRZMG-UHFFFAOYSA-N 1 1 301.343 -1.904 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001362412471 918515287 /nfs/dbraw/zinc/51/52/87/918515287.db2.gz XGVWYGPPEFCHCS-UHFFFAOYSA-N 1 1 318.399 -1.048 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362446005 918521643 /nfs/dbraw/zinc/52/16/43/918521643.db2.gz CAIPBPBPENRLQG-LLVKDONJSA-N 1 1 302.375 -1.679 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)nn1 ZINC001362456510 918523769 /nfs/dbraw/zinc/52/37/69/918523769.db2.gz CVMBXUXPMZSTIW-QMTHXVAHSA-N 1 1 323.353 -1.097 20 0 DAADMO Cn1cc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(=O)n(C)c1=O ZINC001362484098 918529236 /nfs/dbraw/zinc/52/92/36/918529236.db2.gz UVIGDQCGVIUPLF-UWVGGRQHSA-N 1 1 310.329 -1.048 20 0 DAADMO Cn1cc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(=O)n(C)c1=O ZINC001362484098 918529253 /nfs/dbraw/zinc/52/92/53/918529253.db2.gz UVIGDQCGVIUPLF-UWVGGRQHSA-N 1 1 310.329 -1.048 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001362548235 918547207 /nfs/dbraw/zinc/54/72/07/918547207.db2.gz GKAXGVCJZJNRFV-LOWVWBTDSA-N 1 1 319.427 -1.031 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001362616948 918563351 /nfs/dbraw/zinc/56/33/51/918563351.db2.gz KZJKGUFQGNDPNG-JOYOIKCWSA-N 1 1 311.346 -2.639 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001362635605 918564619 /nfs/dbraw/zinc/56/46/19/918564619.db2.gz VSQVDNGORLAHGF-UHFFFAOYSA-N 1 1 304.416 -1.759 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)no1 ZINC001362701199 918578926 /nfs/dbraw/zinc/57/89/26/918578926.db2.gz DCZUJRPYZCCXHL-IUCAKERBSA-N 1 1 309.326 -1.605 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)no1 ZINC001362701193 918579676 /nfs/dbraw/zinc/57/96/76/918579676.db2.gz DCZUJRPYZCCXHL-DTORHVGOSA-N 1 1 309.326 -1.605 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)C(N)=O ZINC001362738860 918593674 /nfs/dbraw/zinc/59/36/74/918593674.db2.gz LRVQLFGPDOMLBT-DCAQKATOSA-N 1 1 300.334 -1.379 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)C(N)=O ZINC001362738860 918593681 /nfs/dbraw/zinc/59/36/81/918593681.db2.gz LRVQLFGPDOMLBT-DCAQKATOSA-N 1 1 300.334 -1.379 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001362758354 918599683 /nfs/dbraw/zinc/59/96/83/918599683.db2.gz QIOXCHWKWZOLQS-UHFFFAOYSA-N 1 1 301.372 -1.024 20 0 DAADMO O=C(C[C@H]1CCCS(=O)(=O)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362771371 918600447 /nfs/dbraw/zinc/60/04/47/918600447.db2.gz CVOJAOOHFNNXRQ-DGCLKSJQSA-N 1 1 320.411 -1.332 20 0 DAADMO O=C(C[C@H]1CCCS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001362771390 918600994 /nfs/dbraw/zinc/60/09/94/918600994.db2.gz CVOJAOOHFNNXRQ-YPMHNXCESA-N 1 1 320.411 -1.332 20 0 DAADMO CC(C)CS(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362775830 918605021 /nfs/dbraw/zinc/60/50/21/918605021.db2.gz NHELUPGFUVPABV-LBPRGKRZSA-N 1 1 308.400 -1.476 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001362783424 918605248 /nfs/dbraw/zinc/60/52/48/918605248.db2.gz VMCUFWJWCPYFRD-JHJVBQTASA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001362790123 918607362 /nfs/dbraw/zinc/60/73/62/918607362.db2.gz NJIDNQLPDJQMSM-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)C[N@H+]1CCO ZINC001362790120 918607568 /nfs/dbraw/zinc/60/75/68/918607568.db2.gz NJIDNQLPDJQMSM-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001362790121 918607819 /nfs/dbraw/zinc/60/78/19/918607819.db2.gz NJIDNQLPDJQMSM-NWDGAFQWSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC001362849392 918624541 /nfs/dbraw/zinc/62/45/41/918624541.db2.gz GVOAVVKLPQKLQF-PHIMTYICSA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H](C)[N@H+]1CCO ZINC001362856424 918626830 /nfs/dbraw/zinc/62/68/30/918626830.db2.gz WMBUISBGEWHVOI-OCAPTIKFSA-N 1 1 311.342 -1.003 20 0 DAADMO C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H](C)[N@@H+]1CCO ZINC001362856424 918626837 /nfs/dbraw/zinc/62/68/37/918626837.db2.gz WMBUISBGEWHVOI-OCAPTIKFSA-N 1 1 311.342 -1.003 20 0 DAADMO Cn1ncc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1-n1cnnc1 ZINC001362889428 918634321 /nfs/dbraw/zinc/63/43/21/918634321.db2.gz ZFESVCQSGNYNQK-WDEREUQCSA-N 1 1 317.353 -1.108 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)CC3CS(=O)(=O)C3)CC2)C1 ZINC001362883112 918635731 /nfs/dbraw/zinc/63/57/31/918635731.db2.gz NUMCGROXRDUOMP-UHFFFAOYSA-N 1 1 301.412 -1.121 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H](O)c2cnc[nH]2)CC1=O ZINC001362902456 918636902 /nfs/dbraw/zinc/63/69/02/918636902.db2.gz SDMFLUMXHWWXBR-JQWIXIFHSA-N 1 1 309.370 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCc1nnc2n1CCNC2=O ZINC001362911522 918642730 /nfs/dbraw/zinc/64/27/30/918642730.db2.gz RIPNUKFOHBNTSE-UHFFFAOYSA-N 1 1 303.326 -1.115 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363012816 918668255 /nfs/dbraw/zinc/66/82/55/918668255.db2.gz YSQIEBXUBSTYND-ZDUSSCGKSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363013333 918668834 /nfs/dbraw/zinc/66/88/34/918668834.db2.gz VRNNJCMZVOOSHO-QMMMGPOBSA-N 1 1 309.330 -2.623 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C(N)=O ZINC001363029525 918672864 /nfs/dbraw/zinc/67/28/64/918672864.db2.gz CXUSHLHONJBUPJ-ONGXEEELSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C(N)=O ZINC001363029525 918672882 /nfs/dbraw/zinc/67/28/82/918672882.db2.gz CXUSHLHONJBUPJ-ONGXEEELSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363035898 918673897 /nfs/dbraw/zinc/67/38/97/918673897.db2.gz ACLAPIKGOFFZHB-QWRGUYRKSA-N 1 1 300.334 -1.507 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363035898 918673906 /nfs/dbraw/zinc/67/39/06/918673906.db2.gz ACLAPIKGOFFZHB-QWRGUYRKSA-N 1 1 300.334 -1.507 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)[C@H]1CCSC1 ZINC001363048663 918678775 /nfs/dbraw/zinc/67/87/75/918678775.db2.gz MAAZFRVHHYBPTH-GUBZILKMSA-N 1 1 314.411 -1.531 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)[C@@H]1CCSC1 ZINC001363048660 918679250 /nfs/dbraw/zinc/67/92/50/918679250.db2.gz MAAZFRVHHYBPTH-BBBLOLIVSA-N 1 1 314.411 -1.531 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001363092079 918689868 /nfs/dbraw/zinc/68/98/68/918689868.db2.gz NXSSPJUVMRQDIG-VHSXEESVSA-N 1 1 324.341 -1.817 20 0 DAADMO CCN1CC[NH+](CCC(=O)N[C@@H](CO)c2nncn2C)CC1 ZINC001363115699 918696076 /nfs/dbraw/zinc/69/60/76/918696076.db2.gz ZRZDYIFQRKQAQF-LBPRGKRZSA-N 1 1 310.402 -1.008 20 0 DAADMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cn(CC(N)=O)nn1 ZINC001363126876 918699037 /nfs/dbraw/zinc/69/90/37/918699037.db2.gz GGCWJWBCFVXFTF-UHFFFAOYSA-N 1 1 324.385 -1.006 20 0 DAADMO O=C(CNC(=O)c1ncccc1O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363130747 918700169 /nfs/dbraw/zinc/70/01/69/918700169.db2.gz VAIQTZCXIUYLOF-SNVBAGLBSA-N 1 1 308.338 -1.300 20 0 DAADMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001363149114 918705275 /nfs/dbraw/zinc/70/52/75/918705275.db2.gz YQJXERCAEZATSK-CMPLNLGQSA-N 1 1 314.386 -1.273 20 0 DAADMO COC(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001363172736 918711438 /nfs/dbraw/zinc/71/14/38/918711438.db2.gz JOLYUDVMGFUFPU-CQSZACIVSA-N 1 1 309.322 -1.051 20 0 DAADMO Cc1cn2nnc(C(=O)NC[C@]3(CO)COCC[NH2+]3)c2c(=O)[nH]1 ZINC001363180967 918713415 /nfs/dbraw/zinc/71/34/15/918713415.db2.gz XXFXMZXMFKIOGU-ZDUSSCGKSA-N 1 1 322.325 -1.781 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC001363178140 918714200 /nfs/dbraw/zinc/71/42/00/918714200.db2.gz QDIHRGHJNNWNMR-BXUZGUMPSA-N 1 1 309.370 -1.384 20 0 DAADMO CS(=O)(=O)CC1(C(=O)NC[C@]2(CO)COCC[NH2+]2)COC1 ZINC001363180956 918714830 /nfs/dbraw/zinc/71/48/30/918714830.db2.gz XNUKIIRVWCORAK-LBPRGKRZSA-N 1 1 322.383 -2.485 20 0 DAADMO COC(=O)c1ccnc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001363181028 918715138 /nfs/dbraw/zinc/71/51/38/918715138.db2.gz ZSUGOKDZAZFKDG-AWEZNQCLSA-N 1 1 309.322 -1.051 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)Cc2cnc[nH]2)CC1=O ZINC001363199665 918719487 /nfs/dbraw/zinc/71/94/87/918719487.db2.gz XXIMPZHLWUZLHM-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cn1cc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001363201371 918720263 /nfs/dbraw/zinc/72/02/63/918720263.db2.gz MTMXUONPJKGHQQ-CQSZACIVSA-N 1 1 310.354 -1.051 20 0 DAADMO Cc1nc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)nn1-c1nc[nH]n1 ZINC001363199168 918720970 /nfs/dbraw/zinc/72/09/70/918720970.db2.gz GNBCQQFXOOQLAQ-SNVBAGLBSA-N 1 1 318.341 -1.415 20 0 DAADMO Cc1nc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)nn1-c1nc[nH]n1 ZINC001363199168 918720983 /nfs/dbraw/zinc/72/09/83/918720983.db2.gz GNBCQQFXOOQLAQ-SNVBAGLBSA-N 1 1 318.341 -1.415 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC001363215093 918726077 /nfs/dbraw/zinc/72/60/77/918726077.db2.gz LNPMWRUBWNKWJZ-GFCCVEGCSA-N 1 1 321.443 -1.442 20 0 DAADMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001363213577 918726850 /nfs/dbraw/zinc/72/68/50/918726850.db2.gz WLBJYBWQYJVCJV-QWRGUYRKSA-N 1 1 308.400 -1.358 20 0 DAADMO C[C@H]1CN(Cc2cc(=O)n3nc(N)[nH]c3n2)CC[N@H+]1CCO ZINC001363218377 918726890 /nfs/dbraw/zinc/72/68/90/918726890.db2.gz AWHKLZNTZONMFH-VIFPVBQESA-N 1 1 307.358 -1.502 20 0 DAADMO NC(=O)[C@@]1([NH2+]CC(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC001363265079 918740058 /nfs/dbraw/zinc/74/00/58/918740058.db2.gz XFUHCFZGCJQCDY-CYBMUJFWSA-N 1 1 313.354 -1.414 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)cnc21 ZINC001363273868 918741818 /nfs/dbraw/zinc/74/18/18/918741818.db2.gz NNBOCFITIPOWPJ-CYBMUJFWSA-N 1 1 306.326 -1.556 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1C ZINC001363273817 918742100 /nfs/dbraw/zinc/74/21/00/918742100.db2.gz MZTSGRVPBWYRCI-CQSZACIVSA-N 1 1 311.338 -1.108 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCc2nncn2CC1 ZINC001363274952 918742233 /nfs/dbraw/zinc/74/22/33/918742233.db2.gz SQZZFYXJSLGYKV-BXUZGUMPSA-N 1 1 309.370 -1.302 20 0 DAADMO NC(=O)C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C1CCOCC1 ZINC001363291456 918747935 /nfs/dbraw/zinc/74/79/35/918747935.db2.gz ZOQCRWOHAZSPHM-OCCSQVGLSA-N 1 1 302.371 -1.145 20 0 DAADMO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001363292516 918752399 /nfs/dbraw/zinc/75/23/99/918752399.db2.gz HITJNCJFZOAGHB-ZJUUUORDSA-N 1 1 302.327 -1.262 20 0 DAADMO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001363292516 918752412 /nfs/dbraw/zinc/75/24/12/918752412.db2.gz HITJNCJFZOAGHB-ZJUUUORDSA-N 1 1 302.327 -1.262 20 0 DAADMO C[N@@H+](CC(=O)NC(C)(C)CNS(N)(=O)=O)[C@@H]1CCC[C@H]1O ZINC001363294308 918752716 /nfs/dbraw/zinc/75/27/16/918752716.db2.gz LXFCTRQRXZREQR-NXEZZACHSA-N 1 1 322.431 -1.481 20 0 DAADMO CC(=O)c1[nH]c(CC[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)nc1C ZINC001363302433 918754677 /nfs/dbraw/zinc/75/46/77/918754677.db2.gz BKNLTQZVMPJINZ-NXEZZACHSA-N 1 1 307.354 -1.018 20 0 DAADMO NC(=O)c1ccc(CC[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001363304071 918755103 /nfs/dbraw/zinc/75/51/03/918755103.db2.gz RAVDBBBUESOASN-TXEJJXNPSA-N 1 1 304.350 -1.153 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)c3cn(CC(N)=O)nn3)C2)CC1 ZINC001363337551 918765777 /nfs/dbraw/zinc/76/57/77/918765777.db2.gz LPFOPGBENPSXKS-UHFFFAOYSA-N 1 1 321.385 -1.917 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001363389524 918772155 /nfs/dbraw/zinc/77/21/55/918772155.db2.gz AZYCCFJSIMXSPE-WDEREUQCSA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001363403927 918777170 /nfs/dbraw/zinc/77/71/70/918777170.db2.gz LHIALNCFFFEGLF-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(Cc3cn(CC(N)=O)nn3)CC2)C1 ZINC001363430198 918785771 /nfs/dbraw/zinc/78/57/71/918785771.db2.gz WGQNRRNXCAFKRX-AWEZNQCLSA-N 1 1 321.429 -1.025 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCN1CCCS1(=O)=O ZINC001363439482 918788184 /nfs/dbraw/zinc/78/81/84/918788184.db2.gz GYFZQEJYNOYJMP-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCN1CCCS1(=O)=O ZINC001363439482 918788199 /nfs/dbraw/zinc/78/81/99/918788199.db2.gz GYFZQEJYNOYJMP-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001363446468 918791160 /nfs/dbraw/zinc/79/11/60/918791160.db2.gz ALXVBWQPTGOBSM-SNVBAGLBSA-N 1 1 324.337 -1.488 20 0 DAADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001363448843 918791518 /nfs/dbraw/zinc/79/15/18/918791518.db2.gz IDPNXGVOFNSOKO-YUMQZZPRSA-N 1 1 311.342 -1.003 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](CO)C1 ZINC001363483350 918798780 /nfs/dbraw/zinc/79/87/80/918798780.db2.gz DXUOPEZMKDDNTJ-SECBINFHSA-N 1 1 317.371 -2.335 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](CO)C1 ZINC001363483350 918798792 /nfs/dbraw/zinc/79/87/92/918798792.db2.gz DXUOPEZMKDDNTJ-SECBINFHSA-N 1 1 317.371 -2.335 20 0 DAADMO CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)CCO)c1 ZINC001363495001 918801354 /nfs/dbraw/zinc/80/13/54/918801354.db2.gz NHDRYTMWLIGVAB-UHFFFAOYSA-N 1 1 318.399 -1.081 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001363491515 918802016 /nfs/dbraw/zinc/80/20/16/918802016.db2.gz SQROHWKBULPIRG-LLVKDONJSA-N 1 1 322.431 -1.716 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001363516354 918810549 /nfs/dbraw/zinc/81/05/49/918810549.db2.gz FWTYUFNGWBVDPY-HZMBPMFUSA-N 1 1 315.370 -1.373 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(-n2cncn2)nc1 ZINC001363523996 918812760 /nfs/dbraw/zinc/81/27/60/918812760.db2.gz GJUUQKLZACKLPB-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363527244 918815216 /nfs/dbraw/zinc/81/52/16/918815216.db2.gz QPCWRDRWYAGEDB-JQWIXIFHSA-N 1 1 306.384 -1.722 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC001363527556 918815977 /nfs/dbraw/zinc/81/59/77/918815977.db2.gz SHOBYWHJFIJWSU-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363535096 918822398 /nfs/dbraw/zinc/82/23/98/918822398.db2.gz GAHOZASTLVXOGD-JGVFFNPUSA-N 1 1 309.326 -1.249 20 0 DAADMO CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)o1 ZINC001363592841 918837169 /nfs/dbraw/zinc/83/71/69/918837169.db2.gz AZECERQGZYPHNA-GFCCVEGCSA-N 1 1 318.351 -1.236 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601093 918839880 /nfs/dbraw/zinc/83/98/80/918839880.db2.gz MANUCAFCOFPPPM-ISVAXAHUSA-N 1 1 306.326 -1.511 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601093 918839888 /nfs/dbraw/zinc/83/98/88/918839888.db2.gz MANUCAFCOFPPPM-ISVAXAHUSA-N 1 1 306.326 -1.511 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363596953 918840175 /nfs/dbraw/zinc/84/01/75/918840175.db2.gz JSADEBRLLCCCNL-LBPRGKRZSA-N 1 1 323.415 -1.827 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601080 918842312 /nfs/dbraw/zinc/84/23/12/918842312.db2.gz MANUCAFCOFPPPM-AMIZOPFISA-N 1 1 306.326 -1.511 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001363601080 918842325 /nfs/dbraw/zinc/84/23/25/918842325.db2.gz MANUCAFCOFPPPM-AMIZOPFISA-N 1 1 306.326 -1.511 20 0 DAADMO O=C(CS(=O)(=O)C1CCCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363609633 918842359 /nfs/dbraw/zinc/84/23/59/918842359.db2.gz ZYFVZUZVGQWGHZ-ZDUSSCGKSA-N 1 1 320.411 -1.189 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1N ZINC001363695020 918858199 /nfs/dbraw/zinc/85/81/99/918858199.db2.gz UDUOFPVSGKBCQU-IINYFYTJSA-N 1 1 309.370 -1.042 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1N ZINC001363695020 918858207 /nfs/dbraw/zinc/85/82/07/918858207.db2.gz UDUOFPVSGKBCQU-IINYFYTJSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001363689826 918858998 /nfs/dbraw/zinc/85/89/98/918858998.db2.gz NRHHSVCOUGTPFJ-UHFFFAOYSA-N 1 1 321.381 -1.145 20 0 DAADMO C[NH+]1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001363702577 918861649 /nfs/dbraw/zinc/86/16/49/918861649.db2.gz CBYCTWMDNLFQAK-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001363751836 918870931 /nfs/dbraw/zinc/87/09/31/918870931.db2.gz ODWRCYCOBPYJJF-QWHCGFSZSA-N 1 1 318.443 -1.069 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001363772809 918872669 /nfs/dbraw/zinc/87/26/69/918872669.db2.gz IUANHLDDKBAOEC-LBPRGKRZSA-N 1 1 315.414 -1.230 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001363772807 918873431 /nfs/dbraw/zinc/87/34/31/918873431.db2.gz IUANHLDDKBAOEC-GFCCVEGCSA-N 1 1 315.414 -1.230 20 0 DAADMO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC([NH2+]C2COC2)C1 ZINC001363766434 918874810 /nfs/dbraw/zinc/87/48/10/918874810.db2.gz HZXFUJLGTGVEKY-SECBINFHSA-N 1 1 305.338 -1.038 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001363775678 918876045 /nfs/dbraw/zinc/87/60/45/918876045.db2.gz STGIFZJZHNMCPI-DOMZBBRYSA-N 1 1 315.414 -1.230 20 0 DAADMO O=C(c1nc2ncc(CCO)cn2n1)N1CC([NH2+]C2COC2)C1 ZINC001363776450 918876509 /nfs/dbraw/zinc/87/65/09/918876509.db2.gz KHLCRIQCFYYAEY-UHFFFAOYSA-N 1 1 318.337 -1.528 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363776807 918877589 /nfs/dbraw/zinc/87/75/89/918877589.db2.gz GFFPGZYUGFPIHT-AAEUAGOBSA-N 1 1 319.427 -1.030 20 0 DAADMO NC(=O)[C@@](O)(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC001363792585 918879146 /nfs/dbraw/zinc/87/91/46/918879146.db2.gz CSAAENGIQOCRTP-XJKCOSOUSA-N 1 1 319.361 -1.051 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001363797097 918880453 /nfs/dbraw/zinc/88/04/53/918880453.db2.gz NARGRVWGMLGUSE-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](NC(=O)CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(=O)N(C)C ZINC001363791250 918881210 /nfs/dbraw/zinc/88/12/10/918881210.db2.gz QCQPPJHWEMZYDT-FRRDWIJNSA-N 1 1 314.430 -1.034 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](O)CS(C)(=O)=O)C1 ZINC001363809894 918883405 /nfs/dbraw/zinc/88/34/05/918883405.db2.gz JGPMILZPDOCLGF-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC001363817727 918886935 /nfs/dbraw/zinc/88/69/35/918886935.db2.gz LVNAGMYMTAQDGM-LLVKDONJSA-N 1 1 307.416 -1.136 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363816618 918887619 /nfs/dbraw/zinc/88/76/19/918887619.db2.gz MIRAXCUJFRELHO-NWDGAFQWSA-N 1 1 317.411 -1.311 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001363839201 918894123 /nfs/dbraw/zinc/89/41/23/918894123.db2.gz WYNSIRYVTFWBRZ-QMMMGPOBSA-N 1 1 305.360 -2.204 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)CCN1CCOC1=O ZINC001363886545 918899918 /nfs/dbraw/zinc/89/99/18/918899918.db2.gz YDAFOWFLYLBHIU-UHFFFAOYSA-N 1 1 309.388 -1.064 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)CCN1CCOC1=O ZINC001363886545 918899925 /nfs/dbraw/zinc/89/99/25/918899925.db2.gz YDAFOWFLYLBHIU-UHFFFAOYSA-N 1 1 309.388 -1.064 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nn1 ZINC001363888026 918902737 /nfs/dbraw/zinc/90/27/37/918902737.db2.gz SKOQRZCRKMRIKV-NWDGAFQWSA-N 1 1 322.369 -1.565 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nn1 ZINC001363888021 918902914 /nfs/dbraw/zinc/90/29/14/918902914.db2.gz SKOQRZCRKMRIKV-NEPJUHHUSA-N 1 1 322.369 -1.565 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363954438 918913592 /nfs/dbraw/zinc/91/35/92/918913592.db2.gz BVHRPLVLYDJUOB-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)[nH]1 ZINC001363973033 918915462 /nfs/dbraw/zinc/91/54/62/918915462.db2.gz KEJLFTHLCVSQSP-SMDDNHRTSA-N 1 1 309.370 -1.002 20 0 DAADMO C[C@@H](O)c1cn(CC(=O)NCC(=O)N2CC[NH+](C)CC2)nn1 ZINC001363974979 918917036 /nfs/dbraw/zinc/91/70/36/918917036.db2.gz MJNFVDXJKKCAAD-SNVBAGLBSA-N 1 1 310.358 -1.778 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001364010580 918928161 /nfs/dbraw/zinc/92/81/61/918928161.db2.gz KUNSSRZYTPXXLM-IUCAKERBSA-N 1 1 318.399 -2.071 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001364057474 918941363 /nfs/dbraw/zinc/94/13/63/918941363.db2.gz ULPSTFWIBQOCIZ-UHFFFAOYSA-N 1 1 305.360 -2.429 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)NCC[N@H+](C)CCO)cn1 ZINC001364080661 918945656 /nfs/dbraw/zinc/94/56/56/918945656.db2.gz DITXINMIAXHUBU-UHFFFAOYSA-N 1 1 320.371 -1.742 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCO)cn1 ZINC001364080661 918945666 /nfs/dbraw/zinc/94/56/66/918945666.db2.gz DITXINMIAXHUBU-UHFFFAOYSA-N 1 1 320.371 -1.742 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)CN1CC[NH+](C)CC1 ZINC001364116911 918952319 /nfs/dbraw/zinc/95/23/19/918952319.db2.gz NWAAOQVKGRWFIW-UHFFFAOYSA-N 1 1 319.369 -1.377 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001364203210 918963336 /nfs/dbraw/zinc/96/33/36/918963336.db2.gz KQUCNQZDAFHCPI-LLVKDONJSA-N 1 1 300.363 -1.484 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC001364203233 918963569 /nfs/dbraw/zinc/96/35/69/918963569.db2.gz KQUCNQZDAFHCPI-NSHDSACASA-N 1 1 300.363 -1.484 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364267293 918977905 /nfs/dbraw/zinc/97/79/05/918977905.db2.gz QZCFXLSXEKQLRR-NXEZZACHSA-N 1 1 313.358 -1.675 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364267293 918977924 /nfs/dbraw/zinc/97/79/24/918977924.db2.gz QZCFXLSXEKQLRR-NXEZZACHSA-N 1 1 313.358 -1.675 20 0 DAADMO NC(=O)c1ccc(N2CC[NH+](CCn3cnnn3)CC2)nc1 ZINC001364348788 918991993 /nfs/dbraw/zinc/99/19/93/918991993.db2.gz LPFJFXDTFIBEMV-UHFFFAOYSA-N 1 1 302.342 -1.011 20 0 DAADMO CC(C)(CNC(=O)NCC[N@H+]1CC[C@H](O)C1)CS(N)(=O)=O ZINC001364341340 918992330 /nfs/dbraw/zinc/99/23/30/918992330.db2.gz WXPTUSKRDKFTOX-JTQLQIEISA-N 1 1 322.431 -1.333 20 0 DAADMO NC(=O)[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001364346826 918992442 /nfs/dbraw/zinc/99/24/42/918992442.db2.gz RADVCNGPVPKEKC-XYPYZODXSA-N 1 1 312.370 -1.002 20 0 DAADMO NC(=O)[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001364346826 918992452 /nfs/dbraw/zinc/99/24/52/918992452.db2.gz RADVCNGPVPKEKC-XYPYZODXSA-N 1 1 312.370 -1.002 20 0 DAADMO O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CC([NH2+]C2COC2)C1 ZINC001364364047 918999629 /nfs/dbraw/zinc/99/96/29/918999629.db2.gz KHPIBEUBGBTSEX-JTQLQIEISA-N 1 1 322.325 -1.801 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001364386832 919003521 /nfs/dbraw/zinc/00/35/21/919003521.db2.gz NAXIHWSKGLDVCX-IJLUTSLNSA-N 1 1 308.400 -1.358 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001364386832 919003535 /nfs/dbraw/zinc/00/35/35/919003535.db2.gz NAXIHWSKGLDVCX-IJLUTSLNSA-N 1 1 308.400 -1.358 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC001364436527 919010393 /nfs/dbraw/zinc/01/03/93/919010393.db2.gz YWLLSTQSQJOZRG-CHWSQXEVSA-N 1 1 321.381 -1.590 20 0 DAADMO COCC(COC)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC001364445878 919011074 /nfs/dbraw/zinc/01/10/74/919011074.db2.gz MIHKNLIBCGGYSK-UHFFFAOYSA-N 1 1 302.375 -1.150 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001364442618 919012853 /nfs/dbraw/zinc/01/28/53/919012853.db2.gz FZUIYRGTUWFIQH-LSDHHAIUSA-N 1 1 324.425 -1.136 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364452743 919014443 /nfs/dbraw/zinc/01/44/43/919014443.db2.gz UTSNBEXGRQVKHH-DTORHVGOSA-N 1 1 314.342 -2.474 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC001364448831 919014662 /nfs/dbraw/zinc/01/46/62/919014662.db2.gz HIHZLICBVWAWAO-AWEZNQCLSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC001364448831 919014683 /nfs/dbraw/zinc/01/46/83/919014683.db2.gz HIHZLICBVWAWAO-AWEZNQCLSA-N 1 1 312.414 -1.278 20 0 DAADMO COC(=O)Cn1cc(CCN2CC[N@@H+](CCO)C[C@@H]2C)nn1 ZINC001364447836 919015211 /nfs/dbraw/zinc/01/52/11/919015211.db2.gz WTDHZYBFVDWVDT-LBPRGKRZSA-N 1 1 311.386 -1.008 20 0 DAADMO CN(C(=O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)c1nccs1 ZINC001364468897 919015361 /nfs/dbraw/zinc/01/53/61/919015361.db2.gz GYKMWEMPUVWBJN-HTQZYQBOSA-N 1 1 311.367 -1.376 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCCNC2=O)CC1 ZINC001364473109 919017056 /nfs/dbraw/zinc/01/70/56/919017056.db2.gz DYIDPNPJBDMUEG-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471546 919017298 /nfs/dbraw/zinc/01/72/98/919017298.db2.gz MFUXJIFHHRTULR-GFCCVEGCSA-N 1 1 308.400 -1.333 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471297 919017505 /nfs/dbraw/zinc/01/75/05/919017505.db2.gz ICJHCKIXCQHOCP-CMPLNLGQSA-N 1 1 321.399 -2.123 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C(N)=O ZINC001364470431 919018240 /nfs/dbraw/zinc/01/82/40/919018240.db2.gz VQFMURHVEKWSHA-AOOOYVTPSA-N 1 1 303.384 -1.670 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnn(C[C@@H](O)CO)c1 ZINC001364472137 919018686 /nfs/dbraw/zinc/01/86/86/919018686.db2.gz UFOFBWVTHBIERJ-YPMHNXCESA-N 1 1 314.342 -2.683 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC001364470259 919019158 /nfs/dbraw/zinc/01/91/58/919019158.db2.gz AKLVRJFOFDUJEW-AWEZNQCLSA-N 1 1 308.338 -1.478 20 0 DAADMO O=C(CNC(=O)N1CCCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471396 919019523 /nfs/dbraw/zinc/01/95/23/919019523.db2.gz KAWHMYFXDLCGTC-CYBMUJFWSA-N 1 1 300.359 -1.741 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001364478829 919019693 /nfs/dbraw/zinc/01/96/93/919019693.db2.gz NYBZFJJQXIOHCK-UHFFFAOYSA-N 1 1 315.370 -1.026 20 0 DAADMO COC(=O)[C@](C)(O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001364488457 919021967 /nfs/dbraw/zinc/02/19/67/919021967.db2.gz FMTZAIIITKKAOE-SNVBAGLBSA-N 1 1 308.356 -2.067 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001364503588 919024197 /nfs/dbraw/zinc/02/41/97/919024197.db2.gz PODAVRLMJHUTMA-SNVBAGLBSA-N 1 1 309.388 -2.290 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001364507654 919026101 /nfs/dbraw/zinc/02/61/01/919026101.db2.gz WOUBBLHOTVCFCA-UWVGGRQHSA-N 1 1 321.399 -1.465 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001364507654 919026116 /nfs/dbraw/zinc/02/61/16/919026116.db2.gz WOUBBLHOTVCFCA-UWVGGRQHSA-N 1 1 321.399 -1.465 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530388 919029113 /nfs/dbraw/zinc/02/91/13/919029113.db2.gz NKJGFNOIXRRRMO-KBPBESRZSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530388 919029130 /nfs/dbraw/zinc/02/91/30/919029130.db2.gz NKJGFNOIXRRRMO-KBPBESRZSA-N 1 1 302.371 -1.321 20 0 DAADMO C[C@H](CNC(=O)N(C)CCS(N)(=O)=O)C[NH+]1CCOCC1 ZINC001364543284 919031642 /nfs/dbraw/zinc/03/16/42/919031642.db2.gz KXXLBMGPKQOOLB-LLVKDONJSA-N 1 1 322.431 -1.115 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC[N@H+]1C ZINC001364545562 919031871 /nfs/dbraw/zinc/03/18/71/919031871.db2.gz WRZKZNMCCHDVHC-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC001364543325 919032495 /nfs/dbraw/zinc/03/24/95/919032495.db2.gz MFQVEZRZTOHURI-VXGBXAGGSA-N 1 1 312.374 -1.341 20 0 DAADMO CC[N@@H+](C)[C@H]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC001364570463 919033502 /nfs/dbraw/zinc/03/35/02/919033502.db2.gz VHSTUKKJDIKIRL-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001364599057 919037383 /nfs/dbraw/zinc/03/73/83/919037383.db2.gz LNXOBYXJGJILFP-LLVKDONJSA-N 1 1 322.431 -1.318 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)NC[C@@H](O)Cn1ccnn1 ZINC001364635383 919042239 /nfs/dbraw/zinc/04/22/39/919042239.db2.gz UPYYAPJXUFUXOB-GFCCVEGCSA-N 1 1 312.374 -1.340 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)C1 ZINC001364641697 919043601 /nfs/dbraw/zinc/04/36/01/919043601.db2.gz FBEZZJABSOJMFE-GHMZBOCLSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)C1 ZINC001364641697 919043616 /nfs/dbraw/zinc/04/36/16/919043616.db2.gz FBEZZJABSOJMFE-GHMZBOCLSA-N 1 1 308.382 -1.222 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@H](CO)CC2OCCO2)C1 ZINC001364656772 919044512 /nfs/dbraw/zinc/04/45/12/919044512.db2.gz RPDMNORRZVOJMG-LBPRGKRZSA-N 1 1 301.387 -1.280 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC001364641717 919044961 /nfs/dbraw/zinc/04/49/61/919044961.db2.gz FBEZZJABSOJMFE-QWRGUYRKSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC001364641717 919044975 /nfs/dbraw/zinc/04/49/75/919044975.db2.gz FBEZZJABSOJMFE-QWRGUYRKSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001364647911 919045643 /nfs/dbraw/zinc/04/56/43/919045643.db2.gz IOHSQPQNBVVMMG-UHFFFAOYSA-N 1 1 307.358 -1.554 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001364647911 919045657 /nfs/dbraw/zinc/04/56/57/919045657.db2.gz IOHSQPQNBVVMMG-UHFFFAOYSA-N 1 1 307.358 -1.554 20 0 DAADMO CN1CCn2c(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)nnc2C1=O ZINC001364681923 919047329 /nfs/dbraw/zinc/04/73/29/919047329.db2.gz BVBVSBNIOLBZDG-OTYXRUKQSA-N 1 1 322.369 -1.565 20 0 DAADMO CN1CCn2c(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)nnc2C1=O ZINC001364681923 919047344 /nfs/dbraw/zinc/04/73/44/919047344.db2.gz BVBVSBNIOLBZDG-OTYXRUKQSA-N 1 1 322.369 -1.565 20 0 DAADMO COC(=O)c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)nc1 ZINC001364704244 919053904 /nfs/dbraw/zinc/05/39/04/919053904.db2.gz PIZIETHETGGECL-PHIMTYICSA-N 1 1 306.322 -1.113 20 0 DAADMO Cn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001364757303 919061550 /nfs/dbraw/zinc/06/15/50/919061550.db2.gz HWCZTDWLSULJNK-MRVPVSSYSA-N 1 1 302.356 -1.142 20 0 DAADMO NC(=O)[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759472 919061766 /nfs/dbraw/zinc/06/17/66/919061766.db2.gz YXRYGXZDJCJVDM-MXWKQRLJSA-N 1 1 308.313 -1.129 20 0 DAADMO NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759468 919062831 /nfs/dbraw/zinc/06/28/31/919062831.db2.gz YXRYGXZDJCJVDM-AXFHLTTASA-N 1 1 308.313 -1.129 20 0 DAADMO NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364759468 919062845 /nfs/dbraw/zinc/06/28/45/919062845.db2.gz YXRYGXZDJCJVDM-AXFHLTTASA-N 1 1 308.313 -1.129 20 0 DAADMO Cn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001364757370 919063749 /nfs/dbraw/zinc/06/37/49/919063749.db2.gz HWCZTDWLSULJNK-QMMMGPOBSA-N 1 1 302.356 -1.142 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C[C@@H]2C1 ZINC001364783401 919066689 /nfs/dbraw/zinc/06/66/89/919066689.db2.gz GUYIAFPHCDUTBB-AOOOYVTPSA-N 1 1 317.353 -1.090 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001364801461 919070357 /nfs/dbraw/zinc/07/03/57/919070357.db2.gz YJIASBMUGYAFTN-SECBINFHSA-N 1 1 311.429 -1.227 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001364807682 919071168 /nfs/dbraw/zinc/07/11/68/919071168.db2.gz YHRZBUSEYSSFBT-JTQLQIEISA-N 1 1 321.399 -1.463 20 0 DAADMO O=S1(=O)CCC(O)(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001364846963 919078936 /nfs/dbraw/zinc/07/89/36/919078936.db2.gz WZSOWLVEVKGKGM-NEPJUHHUSA-N 1 1 307.412 -1.151 20 0 DAADMO COC(=O)Cn1cc(CC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)nn1 ZINC001364839573 919078987 /nfs/dbraw/zinc/07/89/87/919078987.db2.gz BBADYXXKQJHYRD-RYUDHWBXSA-N 1 1 312.370 -1.084 20 0 DAADMO O=S1(=O)CCC(O)(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001364846965 919081061 /nfs/dbraw/zinc/08/10/61/919081061.db2.gz WZSOWLVEVKGKGM-NWDGAFQWSA-N 1 1 307.412 -1.151 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC001364869185 919086597 /nfs/dbraw/zinc/08/65/97/919086597.db2.gz NUGXECFLRGFWBG-VIFPVBQESA-N 1 1 316.387 -1.723 20 0 DAADMO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001364923488 919099087 /nfs/dbraw/zinc/09/90/87/919099087.db2.gz COUMIDVEELWCKP-NSHDSACASA-N 1 1 307.358 -1.063 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001364939890 919102466 /nfs/dbraw/zinc/10/24/66/919102466.db2.gz LTSSJLJGOMTHRD-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001364939890 919102451 /nfs/dbraw/zinc/10/24/51/919102451.db2.gz LTSSJLJGOMTHRD-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001364946314 919102849 /nfs/dbraw/zinc/10/28/49/919102849.db2.gz LCUYVMXMCDFYIR-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001364946323 919102946 /nfs/dbraw/zinc/10/29/46/919102946.db2.gz LCUYVMXMCDFYIR-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO O=C([C@@H]1C[C@H](O)CN1c1ccncn1)N1CC([NH2+]C2COC2)C1 ZINC001365051516 919117899 /nfs/dbraw/zinc/11/78/99/919117899.db2.gz YLQNHESYZGLEGY-STQMWFEESA-N 1 1 319.365 -1.385 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001365106318 919124058 /nfs/dbraw/zinc/12/40/58/919124058.db2.gz WHZLOBZBGVCLOO-YNEHKIRRSA-N 1 1 300.403 -1.383 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001365109743 919124982 /nfs/dbraw/zinc/12/49/82/919124982.db2.gz NXEUUKZZQIBECI-ZJUUUORDSA-N 1 1 313.358 -1.364 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](O)[C@H](CO)C1)C[NH+]1CCOCC1 ZINC001365108501 919125579 /nfs/dbraw/zinc/12/55/79/919125579.db2.gz CZEBIDPLDFOBST-AGIUHOORSA-N 1 1 301.387 -1.051 20 0 DAADMO C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001365114741 919125927 /nfs/dbraw/zinc/12/59/27/919125927.db2.gz OPSNZMSBQXGZGQ-WPRPVWTQSA-N 1 1 306.388 -1.612 20 0 DAADMO C[C@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001365114741 919125937 /nfs/dbraw/zinc/12/59/37/919125937.db2.gz OPSNZMSBQXGZGQ-WPRPVWTQSA-N 1 1 306.388 -1.612 20 0 DAADMO C[C@H](CNC(=O)N1C[C@@H](O)[C@H](CO)C1)C[NH+]1CCOCC1 ZINC001365108502 919125996 /nfs/dbraw/zinc/12/59/96/919125996.db2.gz CZEBIDPLDFOBST-FRRDWIJNSA-N 1 1 301.387 -1.051 20 0 DAADMO C[C@@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001365114432 919126094 /nfs/dbraw/zinc/12/60/94/919126094.db2.gz IDQOSDMBLXIVMF-MNOVXSKESA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001365114432 919126105 /nfs/dbraw/zinc/12/61/05/919126105.db2.gz IDQOSDMBLXIVMF-MNOVXSKESA-N 1 1 314.386 -1.273 20 0 DAADMO NS(=O)(=O)[C@@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001365175504 919137177 /nfs/dbraw/zinc/13/71/77/919137177.db2.gz CJEDGQVDFKNAGJ-LLVKDONJSA-N 1 1 320.415 -1.219 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC001365194746 919139844 /nfs/dbraw/zinc/13/98/44/919139844.db2.gz PERAGEPOUNHVLB-UHFFFAOYSA-N 1 1 319.431 -2.158 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NC[C@H]2CNC(=O)C2)CC[N@@H+](C)C1 ZINC001365200185 919141495 /nfs/dbraw/zinc/14/14/95/919141495.db2.gz HAXDVELXIZCNPA-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001365222958 919143807 /nfs/dbraw/zinc/14/38/07/919143807.db2.gz QWNPSZZCXQOREN-NSHDSACASA-N 1 1 311.390 -1.009 20 0 DAADMO CON1CC[C@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267926 919149585 /nfs/dbraw/zinc/14/95/85/919149585.db2.gz IXNKVTGWPZAZEB-ZJUUUORDSA-N 1 1 306.388 -1.346 20 0 DAADMO CON1CC[C@H]([N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267926 919149598 /nfs/dbraw/zinc/14/95/98/919149598.db2.gz IXNKVTGWPZAZEB-ZJUUUORDSA-N 1 1 306.388 -1.346 20 0 DAADMO CON1CC[C@H]([N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267911 919150230 /nfs/dbraw/zinc/15/02/30/919150230.db2.gz IXNKVTGWPZAZEB-UWVGGRQHSA-N 1 1 306.388 -1.346 20 0 DAADMO CON1CC[C@H]([N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267911 919150235 /nfs/dbraw/zinc/15/02/35/919150235.db2.gz IXNKVTGWPZAZEB-UWVGGRQHSA-N 1 1 306.388 -1.346 20 0 DAADMO O=C1NCCC[C@@H]1[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001365271995 919152145 /nfs/dbraw/zinc/15/21/45/919152145.db2.gz LWMPCELNWWEZBA-SRVKXCTJSA-N 1 1 317.411 -1.648 20 0 DAADMO NC(=O)CN1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC001365275648 919153699 /nfs/dbraw/zinc/15/36/99/919153699.db2.gz YIMUTXICBNDNKM-GFCCVEGCSA-N 1 1 301.387 -1.354 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NCC(=O)N(C)C)CC[N@@H+](C)C1 ZINC001365312644 919155907 /nfs/dbraw/zinc/15/59/07/919155907.db2.gz PSIUANWONIMLJQ-JTQLQIEISA-N 1 1 300.359 -1.179 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365304017 919156354 /nfs/dbraw/zinc/15/63/54/919156354.db2.gz GKFDUYQCZQAOAG-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)NC(N)=O ZINC001365312279 919156594 /nfs/dbraw/zinc/15/65/94/919156594.db2.gz VOEBSUAWLMLMJX-MRVPVSSYSA-N 1 1 300.315 -1.675 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365319793 919160134 /nfs/dbraw/zinc/16/01/34/919160134.db2.gz WHGQEQZNIPHMCN-LURQLKTLSA-N 1 1 305.356 -2.683 20 0 DAADMO NC(=O)NC(=O)CCC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001365334493 919162905 /nfs/dbraw/zinc/16/29/05/919162905.db2.gz COEWVMKIQUCDDE-ZDUSSCGKSA-N 1 1 300.359 -1.660 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001365373127 919167795 /nfs/dbraw/zinc/16/77/95/919167795.db2.gz VHBDZFLQFXJLKD-NSHDSACASA-N 1 1 322.431 -1.318 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC001365392371 919173799 /nfs/dbraw/zinc/17/37/99/919173799.db2.gz GWXHZTJRGSCMAS-UHFFFAOYSA-N 1 1 320.415 -1.171 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001365415053 919178669 /nfs/dbraw/zinc/17/86/69/919178669.db2.gz JRWZOLBKOXKLKX-SECBINFHSA-N 1 1 316.383 -1.686 20 0 DAADMO O=C1OCCN1CCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001365427142 919181475 /nfs/dbraw/zinc/18/14/75/919181475.db2.gz FLWFMVKWZDEMHQ-WDEREUQCSA-N 1 1 319.383 -1.481 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001365529044 919197043 /nfs/dbraw/zinc/19/70/43/919197043.db2.gz JCRKLBAFDANYFB-LBPRGKRZSA-N 1 1 319.365 -1.108 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001365609360 919205027 /nfs/dbraw/zinc/20/50/27/919205027.db2.gz JRLLHMAEUWMJNE-UHFFFAOYSA-N 1 1 310.398 -1.401 20 0 DAADMO Cn1nnc(CN2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001365625706 919205298 /nfs/dbraw/zinc/20/52/98/919205298.db2.gz VQBMHJGMFZNLPP-NSHDSACASA-N 1 1 309.374 -1.815 20 0 DAADMO Cn1nnc(CN2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001365625706 919205313 /nfs/dbraw/zinc/20/53/13/919205313.db2.gz VQBMHJGMFZNLPP-NSHDSACASA-N 1 1 309.374 -1.815 20 0 DAADMO CC[C@H](C[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1)OC ZINC001365692542 919217343 /nfs/dbraw/zinc/21/73/43/919217343.db2.gz DCTGAORZXROZRQ-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1nnnc1CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001365689442 919218532 /nfs/dbraw/zinc/21/85/32/919218532.db2.gz GDHDAYIKTGSXLH-NSHDSACASA-N 1 1 309.374 -1.815 20 0 DAADMO Cn1nnnc1CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001365689442 919218543 /nfs/dbraw/zinc/21/85/43/919218543.db2.gz GDHDAYIKTGSXLH-NSHDSACASA-N 1 1 309.374 -1.815 20 0 DAADMO Cn1cnc(CC[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC001365712661 919224069 /nfs/dbraw/zinc/22/40/69/919224069.db2.gz NEFXGATYOSAJKC-UHFFFAOYSA-N 1 1 313.339 -1.260 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001365821312 919239935 /nfs/dbraw/zinc/23/99/35/919239935.db2.gz PWTVCZCIXHVQAC-AOOOYVTPSA-N 1 1 322.369 -1.108 20 0 DAADMO CCn1nncc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365876338 919241430 /nfs/dbraw/zinc/24/14/30/919241430.db2.gz NNUHUVDDMYEOSD-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CCn1nncc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365876338 919241449 /nfs/dbraw/zinc/24/14/49/919241449.db2.gz NNUHUVDDMYEOSD-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001365873814 919241523 /nfs/dbraw/zinc/24/15/23/919241523.db2.gz QIPSFEODPLXHMK-QMMMGPOBSA-N 1 1 322.312 -1.268 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001365873814 919241539 /nfs/dbraw/zinc/24/15/39/919241539.db2.gz QIPSFEODPLXHMK-QMMMGPOBSA-N 1 1 322.312 -1.268 20 0 DAADMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCOC2)n1)C(N)=O ZINC001365861871 919243875 /nfs/dbraw/zinc/24/38/75/919243875.db2.gz MHFXSIKGECBRKR-BDAKNGLRSA-N 1 1 323.353 -1.202 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN(C)C(=O)COC)CC[N@@H+]1CC(N)=O ZINC001365874715 919244194 /nfs/dbraw/zinc/24/41/94/919244194.db2.gz WKQBBSWSPMGQJI-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN(C)C(=O)COC)CC[N@H+]1CC(N)=O ZINC001365874715 919244215 /nfs/dbraw/zinc/24/42/15/919244215.db2.gz WKQBBSWSPMGQJI-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CCn1nncc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365876346 919244291 /nfs/dbraw/zinc/24/42/91/919244291.db2.gz NNUHUVDDMYEOSD-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCn1nncc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365876346 919244305 /nfs/dbraw/zinc/24/43/05/919244305.db2.gz NNUHUVDDMYEOSD-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001365876646 919244487 /nfs/dbraw/zinc/24/44/87/919244487.db2.gz PZANNDCNXOIRKA-SNVBAGLBSA-N 1 1 310.358 -1.882 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001365876646 919244498 /nfs/dbraw/zinc/24/44/98/919244498.db2.gz PZANNDCNXOIRKA-SNVBAGLBSA-N 1 1 310.358 -1.882 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)NC ZINC001365898568 919245216 /nfs/dbraw/zinc/24/52/16/919245216.db2.gz JVFNLHFLBIXBCR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CNC(=O)NC ZINC001365898568 919245232 /nfs/dbraw/zinc/24/52/32/919245232.db2.gz JVFNLHFLBIXBCR-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001365932756 919245694 /nfs/dbraw/zinc/24/56/94/919245694.db2.gz CEZKDPGAQQZONQ-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001365879618 919245784 /nfs/dbraw/zinc/24/57/84/919245784.db2.gz GRRDVMDXGQUOOZ-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001365879618 919245802 /nfs/dbraw/zinc/24/58/02/919245802.db2.gz GRRDVMDXGQUOOZ-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365881349 919246109 /nfs/dbraw/zinc/24/61/09/919246109.db2.gz LLPXZGKFHWHYQS-GHMZBOCLSA-N 1 1 314.386 -1.732 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365881349 919246122 /nfs/dbraw/zinc/24/61/22/919246122.db2.gz LLPXZGKFHWHYQS-GHMZBOCLSA-N 1 1 314.386 -1.732 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001365889642 919246445 /nfs/dbraw/zinc/24/64/45/919246445.db2.gz HXLDSEXYJNIIFQ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001365889642 919246469 /nfs/dbraw/zinc/24/64/69/919246469.db2.gz HXLDSEXYJNIIFQ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)[C@@H]1C ZINC001365901663 919246562 /nfs/dbraw/zinc/24/65/62/919246562.db2.gz OMOJBWCLHWCUAO-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001365902919 919248098 /nfs/dbraw/zinc/24/80/98/919248098.db2.gz LSZYKVHFFKDPJR-JTQLQIEISA-N 1 1 314.386 -1.718 20 0 DAADMO CCNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001365879619 919248187 /nfs/dbraw/zinc/24/81/87/919248187.db2.gz GRRDVMDXGQUOOZ-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001365879619 919248199 /nfs/dbraw/zinc/24/81/99/919248199.db2.gz GRRDVMDXGQUOOZ-NSHDSACASA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365881361 919248277 /nfs/dbraw/zinc/24/82/77/919248277.db2.gz LLPXZGKFHWHYQS-QWRGUYRKSA-N 1 1 314.386 -1.732 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365881361 919248284 /nfs/dbraw/zinc/24/82/84/919248284.db2.gz LLPXZGKFHWHYQS-QWRGUYRKSA-N 1 1 314.386 -1.732 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001365904002 919248668 /nfs/dbraw/zinc/24/86/68/919248668.db2.gz ZIORQZAHHVIKQK-UHFFFAOYSA-N 1 1 312.374 -1.395 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)CC[N@H+]1CCCO ZINC001365878607 919248803 /nfs/dbraw/zinc/24/88/03/919248803.db2.gz ZOLSWJOHULHQNI-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001365938624 919251216 /nfs/dbraw/zinc/25/12/16/919251216.db2.gz IWVFXIFLDLAMAD-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCCN1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001365956135 919253736 /nfs/dbraw/zinc/25/37/36/919253736.db2.gz RKIUNWMWPKPDMR-AWEZNQCLSA-N 1 1 312.414 -1.277 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001365961267 919255038 /nfs/dbraw/zinc/25/50/38/919255038.db2.gz RLLUVSOGBNIGBP-NSHDSACASA-N 1 1 312.374 -1.841 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(CCNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001365963326 919255309 /nfs/dbraw/zinc/25/53/09/919255309.db2.gz RGNIIWLCRNJTAT-LLVKDONJSA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001365958708 919256708 /nfs/dbraw/zinc/25/67/08/919256708.db2.gz WSZVEBKUUWZMHD-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001365974833 919257912 /nfs/dbraw/zinc/25/79/12/919257912.db2.gz DEQWARHIGAZUJN-UWVGGRQHSA-N 1 1 308.404 -1.734 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001365969285 919259338 /nfs/dbraw/zinc/25/93/38/919259338.db2.gz HRGSOESFOJAJPV-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001365969125 919259984 /nfs/dbraw/zinc/25/99/84/919259984.db2.gz KNFKGPQNWGWBNG-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001365969125 919259998 /nfs/dbraw/zinc/25/99/98/919259998.db2.gz KNFKGPQNWGWBNG-JQWIXIFHSA-N 1 1 319.427 -1.006 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001365979160 919260933 /nfs/dbraw/zinc/26/09/33/919260933.db2.gz RINNPJCDARVPGI-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979036 919261128 /nfs/dbraw/zinc/26/11/28/919261128.db2.gz OZWDVZCKKHBDMR-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979036 919261138 /nfs/dbraw/zinc/26/11/38/919261138.db2.gz OZWDVZCKKHBDMR-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001365989389 919263147 /nfs/dbraw/zinc/26/31/47/919263147.db2.gz CUJKHZGAPFRQDR-NEPJUHHUSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001365989389 919263165 /nfs/dbraw/zinc/26/31/65/919263165.db2.gz CUJKHZGAPFRQDR-NEPJUHHUSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001365989401 919263881 /nfs/dbraw/zinc/26/38/81/919263881.db2.gz CUJKHZGAPFRQDR-VXGBXAGGSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001365989401 919263898 /nfs/dbraw/zinc/26/38/98/919263898.db2.gz CUJKHZGAPFRQDR-VXGBXAGGSA-N 1 1 306.370 -1.173 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001365994012 919266096 /nfs/dbraw/zinc/26/60/96/919266096.db2.gz JIGIPYSACPSHHX-ZJUUUORDSA-N 1 1 310.354 -1.075 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995744 919266270 /nfs/dbraw/zinc/26/62/70/919266270.db2.gz YGWSBAHDUHIFRT-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995744 919266285 /nfs/dbraw/zinc/26/62/85/919266285.db2.gz YGWSBAHDUHIFRT-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)C1CC[NH+](CC(N)=O)CC1 ZINC001366016365 919268582 /nfs/dbraw/zinc/26/85/82/919268582.db2.gz QOAICGBMLQFUCP-UHFFFAOYSA-N 1 1 309.374 -1.139 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001366002071 919270621 /nfs/dbraw/zinc/27/06/21/919270621.db2.gz FLZRQUWUJXNKHO-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ncnn1C)C1CC1 ZINC001366039858 919271911 /nfs/dbraw/zinc/27/19/11/919271911.db2.gz DIJHYJFYDYHVBY-JTQLQIEISA-N 1 1 309.374 -1.272 20 0 DAADMO Cn1cc(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)[nH]c1=O ZINC001366060864 919274137 /nfs/dbraw/zinc/27/41/37/919274137.db2.gz MLTKQKVZAGUWHD-VIFPVBQESA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001366033988 919274491 /nfs/dbraw/zinc/27/44/91/919274491.db2.gz IQFKPEJBPSIJDG-WDEREUQCSA-N 1 1 321.385 -1.279 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001366077956 919275925 /nfs/dbraw/zinc/27/59/25/919275925.db2.gz PFTMVKGNLLFGIX-TUAOUCFPSA-N 1 1 310.358 -1.644 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001366089714 919276269 /nfs/dbraw/zinc/27/62/69/919276269.db2.gz BGLJSHBGCJUZNV-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001366075204 919277293 /nfs/dbraw/zinc/27/72/93/919277293.db2.gz FWLXLCVMFIBBSP-QWRGUYRKSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001366116951 919284574 /nfs/dbraw/zinc/28/45/74/919284574.db2.gz JGUXCBJRIKDERN-IWSPIJDZSA-N 1 1 316.387 -1.620 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001366116902 919284631 /nfs/dbraw/zinc/28/46/31/919284631.db2.gz HKRBVYLJXTZETP-GUBZILKMSA-N 1 1 324.389 -1.123 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001366108137 919284940 /nfs/dbraw/zinc/28/49/40/919284940.db2.gz CRCDHESIJBGURJ-KYZUINATSA-N 1 1 317.371 -1.254 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001366144407 919286828 /nfs/dbraw/zinc/28/68/28/919286828.db2.gz ARVPRMPONBUNCJ-PHIMTYICSA-N 1 1 324.385 -1.295 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001366170934 919289983 /nfs/dbraw/zinc/28/99/83/919289983.db2.gz JNTIMURKZLHQQI-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366171796 919291199 /nfs/dbraw/zinc/29/11/99/919291199.db2.gz MZOSROOGXHJVJD-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366171796 919291211 /nfs/dbraw/zinc/29/12/11/919291211.db2.gz MZOSROOGXHJVJD-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366175113 919292398 /nfs/dbraw/zinc/29/23/98/919292398.db2.gz IMHFYZHGDVDNGR-NEPJUHHUSA-N 1 1 311.386 -1.209 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001366178626 919292984 /nfs/dbraw/zinc/29/29/84/919292984.db2.gz RMQILXQFCTXEFX-NSHDSACASA-N 1 1 310.354 -1.231 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366175116 919293491 /nfs/dbraw/zinc/29/34/91/919293491.db2.gz IMHFYZHGDVDNGR-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001366173749 919294230 /nfs/dbraw/zinc/29/42/30/919294230.db2.gz SPBQXFZBXAJFLQ-RYUDHWBXSA-N 1 1 312.374 -1.491 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001366178152 919294608 /nfs/dbraw/zinc/29/46/08/919294608.db2.gz IHPKWKVGQPOQHN-WDEREUQCSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)NC)C1 ZINC001366175054 919294826 /nfs/dbraw/zinc/29/48/26/919294826.db2.gz WZSRVDYPTIMXIO-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001366175120 919294997 /nfs/dbraw/zinc/29/49/97/919294997.db2.gz IMHFYZHGDVDNGR-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233524 919296176 /nfs/dbraw/zinc/29/61/76/919296176.db2.gz NUQSJSZNXSEABM-XPORZQOISA-N 1 1 324.381 -1.087 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001366233524 919296187 /nfs/dbraw/zinc/29/61/87/919296187.db2.gz NUQSJSZNXSEABM-XPORZQOISA-N 1 1 324.381 -1.087 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235946 919297321 /nfs/dbraw/zinc/29/73/21/919297321.db2.gz TYQGDVRLNXYCHN-ZTVLKNOQSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001366232608 919297731 /nfs/dbraw/zinc/29/77/31/919297731.db2.gz KXRUCFCYSOKZGC-WSLQDRLSSA-N 1 1 308.382 -1.212 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001366235944 919298143 /nfs/dbraw/zinc/29/81/43/919298143.db2.gz TYQGDVRLNXYCHN-IIEKFROSSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)NC(N)=O ZINC001366235933 919298225 /nfs/dbraw/zinc/29/82/25/919298225.db2.gz SEQKNSOLVBBUEN-ZTVLKNOQSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nncn1C ZINC001366279452 919300003 /nfs/dbraw/zinc/30/00/03/919300003.db2.gz CNRHBSABZQBOJW-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nnc2n1CCCC2 ZINC001366275219 919300741 /nfs/dbraw/zinc/30/07/41/919300741.db2.gz OMXDYDKGOIEABY-JTQLQIEISA-N 1 1 319.373 -1.105 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366270321 919302591 /nfs/dbraw/zinc/30/25/91/919302591.db2.gz OZELOYDILMEIGN-JTQLQIEISA-N 1 1 324.385 -1.071 20 0 DAADMO COc1cnc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)nc1 ZINC001366299077 919307016 /nfs/dbraw/zinc/30/70/16/919307016.db2.gz RGPQTZVWWYRGHI-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001366309688 919310358 /nfs/dbraw/zinc/31/03/58/919310358.db2.gz UFRXEZUIYZPNHQ-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001366334043 919313440 /nfs/dbraw/zinc/31/34/40/919313440.db2.gz NGVJXWFRIYUKBS-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001366334043 919313454 /nfs/dbraw/zinc/31/34/54/919313454.db2.gz NGVJXWFRIYUKBS-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001366359996 919316230 /nfs/dbraw/zinc/31/62/30/919316230.db2.gz BQBJLKZBCBONIT-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1nncn1C ZINC001366362731 919318282 /nfs/dbraw/zinc/31/82/82/919318282.db2.gz YVCCOAAKTWVAGL-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001366372092 919321670 /nfs/dbraw/zinc/32/16/70/919321670.db2.gz BSYALAPIGYFGDS-ONGXEEELSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001366420726 919326313 /nfs/dbraw/zinc/32/63/13/919326313.db2.gz JWRBHXYMNFLTDS-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001366420726 919326327 /nfs/dbraw/zinc/32/63/27/919326327.db2.gz JWRBHXYMNFLTDS-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCOC)C1 ZINC001366418983 919326534 /nfs/dbraw/zinc/32/65/34/919326534.db2.gz DICHJCCEWUSUES-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001366436957 919328806 /nfs/dbraw/zinc/32/88/06/919328806.db2.gz WCBPIROIRGGKKR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001366436957 919328823 /nfs/dbraw/zinc/32/88/23/919328823.db2.gz WCBPIROIRGGKKR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CCNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001366460699 919329510 /nfs/dbraw/zinc/32/95/10/919329510.db2.gz CWHUFISDBOVDDM-BDAKNGLRSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001366460711 919329727 /nfs/dbraw/zinc/32/97/27/919329727.db2.gz CWHUFISDBOVDDM-IUCAKERBSA-N 1 1 312.378 -1.359 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366503215 919331985 /nfs/dbraw/zinc/33/19/85/919331985.db2.gz GTORGVWRGUKZIV-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366503215 919332002 /nfs/dbraw/zinc/33/20/02/919332002.db2.gz GTORGVWRGUKZIV-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCNC(=O)Cn2cnnn2)cc1=O ZINC001366507966 919333602 /nfs/dbraw/zinc/33/36/02/919333602.db2.gz WPPKKGZBEOCIAO-UHFFFAOYSA-N 1 1 305.342 -1.380 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001366508504 919334589 /nfs/dbraw/zinc/33/45/89/919334589.db2.gz FPJHZQONKWTTAG-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001366529718 919335142 /nfs/dbraw/zinc/33/51/42/919335142.db2.gz XMGFGFHPWWDGAE-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001366529718 919335152 /nfs/dbraw/zinc/33/51/52/919335152.db2.gz XMGFGFHPWWDGAE-UHFFFAOYSA-N 1 1 318.403 -1.491 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)CCN1CCNC1=O ZINC001366525100 919335793 /nfs/dbraw/zinc/33/57/93/919335793.db2.gz FPNWDUVIZQSXAC-UHFFFAOYSA-N 1 1 313.402 -1.608 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)NCC1CC1 ZINC001366519893 919336037 /nfs/dbraw/zinc/33/60/37/919336037.db2.gz FHWDRIBTSOCTNN-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)NCC1CC1 ZINC001366519893 919336061 /nfs/dbraw/zinc/33/60/61/919336061.db2.gz FHWDRIBTSOCTNN-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001366524361 919337633 /nfs/dbraw/zinc/33/76/33/919337633.db2.gz JFSFQTNJJCDTFW-ZJUUUORDSA-N 1 1 319.383 -1.423 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001366524361 919337649 /nfs/dbraw/zinc/33/76/49/919337649.db2.gz JFSFQTNJJCDTFW-ZJUUUORDSA-N 1 1 319.383 -1.423 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366525798 919337952 /nfs/dbraw/zinc/33/79/52/919337952.db2.gz YXHOTRJKGORZQR-ZETCQYMHSA-N 1 1 301.303 -2.402 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001366525798 919337961 /nfs/dbraw/zinc/33/79/61/919337961.db2.gz YXHOTRJKGORZQR-ZETCQYMHSA-N 1 1 301.303 -2.402 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001366534351 919338011 /nfs/dbraw/zinc/33/80/11/919338011.db2.gz HQQUQJZKTOSQLV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001366534351 919338024 /nfs/dbraw/zinc/33/80/24/919338024.db2.gz HQQUQJZKTOSQLV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)nn1 ZINC001366525745 919338056 /nfs/dbraw/zinc/33/80/56/919338056.db2.gz BPIBGRXMLGDRCM-LLVKDONJSA-N 1 1 307.358 -1.266 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001366528155 919339233 /nfs/dbraw/zinc/33/92/33/919339233.db2.gz GERLLAJRKMFJEF-QMMMGPOBSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001366528155 919339248 /nfs/dbraw/zinc/33/92/48/919339248.db2.gz GERLLAJRKMFJEF-QMMMGPOBSA-N 1 1 313.358 -1.904 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001366528091 919339639 /nfs/dbraw/zinc/33/96/39/919339639.db2.gz IAICSLBZINHSCG-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CO[C@@H]1CCOC1 ZINC001366528091 919339656 /nfs/dbraw/zinc/33/96/56/919339656.db2.gz IAICSLBZINHSCG-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)Cn2ncn(C)c2=O)cn1 ZINC001366549424 919341374 /nfs/dbraw/zinc/34/13/74/919341374.db2.gz JCMRJJKFFNTCRH-UHFFFAOYSA-N 1 1 307.358 -1.437 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)Cn2ncn(C)c2=O)cn1 ZINC001366549424 919341384 /nfs/dbraw/zinc/34/13/84/919341384.db2.gz JCMRJJKFFNTCRH-UHFFFAOYSA-N 1 1 307.358 -1.437 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001366549249 919341750 /nfs/dbraw/zinc/34/17/50/919341750.db2.gz XNYBRZXXNQIZQR-WDEREUQCSA-N 1 1 322.369 -1.323 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001366549249 919341764 /nfs/dbraw/zinc/34/17/64/919341764.db2.gz XNYBRZXXNQIZQR-WDEREUQCSA-N 1 1 322.369 -1.323 20 0 DAADMO Cc1nc(C(=O)NCC[N@H+](C)C[C@@H](C)O)nn1-c1nc[nH]n1 ZINC001366550205 919342074 /nfs/dbraw/zinc/34/20/74/919342074.db2.gz DRIGYXWKCZHOFS-MRVPVSSYSA-N 1 1 308.346 -1.264 20 0 DAADMO Cc1c(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001366538799 919343018 /nfs/dbraw/zinc/34/30/18/919343018.db2.gz HYWUHDAQPJQTEK-UHFFFAOYSA-N 1 1 310.358 -1.486 20 0 DAADMO Cc1c(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001366538799 919343037 /nfs/dbraw/zinc/34/30/37/919343037.db2.gz HYWUHDAQPJQTEK-UHFFFAOYSA-N 1 1 310.358 -1.486 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001366547977 919343571 /nfs/dbraw/zinc/34/35/71/919343571.db2.gz QDMNXWHXZJCRIM-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001366552249 919343618 /nfs/dbraw/zinc/34/36/18/919343618.db2.gz NELBZMIMPRVPMU-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001366552249 919343632 /nfs/dbraw/zinc/34/36/32/919343632.db2.gz NELBZMIMPRVPMU-SNVBAGLBSA-N 1 1 320.353 -1.582 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001366539944 919344949 /nfs/dbraw/zinc/34/49/49/919344949.db2.gz QFPUHHXMSUHZAI-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO COc1cccc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001366573083 919346175 /nfs/dbraw/zinc/34/61/75/919346175.db2.gz GZUOZLCJXNPIKB-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO COc1cccc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001366573083 919346191 /nfs/dbraw/zinc/34/61/91/919346191.db2.gz GZUOZLCJXNPIKB-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001366562118 919346988 /nfs/dbraw/zinc/34/69/88/919346988.db2.gz YCZMZWOIQAOMTG-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001366562118 919347002 /nfs/dbraw/zinc/34/70/02/919347002.db2.gz YCZMZWOIQAOMTG-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CNC(=O)N2)cc1=O ZINC001366566485 919348437 /nfs/dbraw/zinc/34/84/37/919348437.db2.gz SQALAGNKSPAAKC-LLVKDONJSA-N 1 1 307.354 -1.385 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CCN1CCNC1=O ZINC001366573585 919349962 /nfs/dbraw/zinc/34/99/62/919349962.db2.gz JGKIIDWRAMOWIP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)O1 ZINC001366597647 919350601 /nfs/dbraw/zinc/35/06/01/919350601.db2.gz TUDHMVGWCFNQGR-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+](CCNC(=O)CCNC(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001366586674 919352683 /nfs/dbraw/zinc/35/26/83/919352683.db2.gz PNOFSVSWRNMEJP-JTQLQIEISA-N 1 1 320.415 -1.473 20 0 DAADMO C[N@@H+](CCNC(=O)CCNC(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001366586674 919352704 /nfs/dbraw/zinc/35/27/04/919352704.db2.gz PNOFSVSWRNMEJP-JTQLQIEISA-N 1 1 320.415 -1.473 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001366591154 919353681 /nfs/dbraw/zinc/35/36/81/919353681.db2.gz QGFKWMPBBKJZEY-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001366591154 919353702 /nfs/dbraw/zinc/35/37/02/919353702.db2.gz QGFKWMPBBKJZEY-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001366582843 919353746 /nfs/dbraw/zinc/35/37/46/919353746.db2.gz ZZMVKKANLZAKKP-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001366582843 919353762 /nfs/dbraw/zinc/35/37/62/919353762.db2.gz ZZMVKKANLZAKKP-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO CCN1CCO[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)COC)C1 ZINC001366593711 919354150 /nfs/dbraw/zinc/35/41/50/919354150.db2.gz ZGCCTFLBDAQLQK-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001366584634 919354575 /nfs/dbraw/zinc/35/45/75/919354575.db2.gz BQQGTNOMUKMGIA-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001366584634 919354592 /nfs/dbraw/zinc/35/45/92/919354592.db2.gz BQQGTNOMUKMGIA-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001366588644 919354956 /nfs/dbraw/zinc/35/49/56/919354956.db2.gz WVHOCXFZHWQXTI-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001366588644 919354961 /nfs/dbraw/zinc/35/49/61/919354961.db2.gz WVHOCXFZHWQXTI-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)C(C)C ZINC001366625166 919356093 /nfs/dbraw/zinc/35/60/93/919356093.db2.gz BEMMDEXTFAZKDA-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)C(C)C ZINC001366625166 919356107 /nfs/dbraw/zinc/35/61/07/919356107.db2.gz BEMMDEXTFAZKDA-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn2nccc2c1=O)C[C@@H](C)O ZINC001366628260 919356143 /nfs/dbraw/zinc/35/61/43/919356143.db2.gz GKFUEWPCOADSJO-LLVKDONJSA-N 1 1 322.369 -1.290 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn2nccc2c1=O)CCOC ZINC001366627389 919356526 /nfs/dbraw/zinc/35/65/26/919356526.db2.gz BISSSBSAZUXNCW-UHFFFAOYSA-N 1 1 322.369 -1.025 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H](C)C(=O)NC1CC1 ZINC001366629178 919357192 /nfs/dbraw/zinc/35/71/92/919357192.db2.gz XYPUHVJQVQLHBP-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H](C)C(=O)NC1CC1 ZINC001366629178 919357210 /nfs/dbraw/zinc/35/72/10/919357210.db2.gz XYPUHVJQVQLHBP-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(=O)NC ZINC001366632035 919358183 /nfs/dbraw/zinc/35/81/83/919358183.db2.gz RVVKCFKUPWCXCQ-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ncc[nH]1)CC(=O)NC(=O)NC ZINC001366632035 919358200 /nfs/dbraw/zinc/35/82/00/919358200.db2.gz RVVKCFKUPWCXCQ-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001366670790 919361104 /nfs/dbraw/zinc/36/11/04/919361104.db2.gz LEJWTGIFXJILIB-LLVKDONJSA-N 1 1 309.374 -1.083 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)O ZINC001366654969 919362007 /nfs/dbraw/zinc/36/20/07/919362007.db2.gz DQUTVFKCUTWLDU-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001366656444 919363468 /nfs/dbraw/zinc/36/34/68/919363468.db2.gz PVWBWJTUQIDCAK-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001366656444 919363486 /nfs/dbraw/zinc/36/34/86/919363486.db2.gz PVWBWJTUQIDCAK-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001366657595 919363727 /nfs/dbraw/zinc/36/37/27/919363727.db2.gz RVPWBPFOKKYMAM-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001366651564 919363948 /nfs/dbraw/zinc/36/39/48/919363948.db2.gz BOBSZRANFSZDCS-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001366651564 919363963 /nfs/dbraw/zinc/36/39/63/919363963.db2.gz BOBSZRANFSZDCS-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CCNC(=O)C1CC1 ZINC001366661507 919364191 /nfs/dbraw/zinc/36/41/91/919364191.db2.gz OOIWRURQJRWNLY-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)NC ZINC001366658890 919364376 /nfs/dbraw/zinc/36/43/76/919364376.db2.gz WCRVHPSMLMBSTP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)NC ZINC001366658890 919364391 /nfs/dbraw/zinc/36/43/91/919364391.db2.gz WCRVHPSMLMBSTP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001366683943 919365082 /nfs/dbraw/zinc/36/50/82/919365082.db2.gz XFIJCQDGKUJCGI-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001366692104 919365473 /nfs/dbraw/zinc/36/54/73/919365473.db2.gz DMILTXLSTHOURX-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001366688997 919365551 /nfs/dbraw/zinc/36/55/51/919365551.db2.gz MUHKIZZCISKIIR-GHMZBOCLSA-N 1 1 302.375 -1.639 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695338 919366107 /nfs/dbraw/zinc/36/61/07/919366107.db2.gz FKNDOKDGDMJUBS-NXEZZACHSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695338 919366119 /nfs/dbraw/zinc/36/61/19/919366119.db2.gz FKNDOKDGDMJUBS-NXEZZACHSA-N 1 1 324.385 -1.442 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001366692107 919366548 /nfs/dbraw/zinc/36/65/48/919366548.db2.gz DMILTXLSTHOURX-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001366683936 919366906 /nfs/dbraw/zinc/36/69/06/919366906.db2.gz XFIJCQDGKUJCGI-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695343 919367728 /nfs/dbraw/zinc/36/77/28/919367728.db2.gz FKNDOKDGDMJUBS-UWVGGRQHSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695343 919367745 /nfs/dbraw/zinc/36/77/45/919367745.db2.gz FKNDOKDGDMJUBS-UWVGGRQHSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366691756 919367839 /nfs/dbraw/zinc/36/78/39/919367839.db2.gz LYLWAUIADIOIOG-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001366682418 919369800 /nfs/dbraw/zinc/36/98/00/919369800.db2.gz MPGXYLOHLSBUFN-WCQYABFASA-N 1 1 313.398 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001366712862 919370743 /nfs/dbraw/zinc/37/07/43/919370743.db2.gz MQKIDUWUTQPYKI-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001366746959 919371427 /nfs/dbraw/zinc/37/14/27/919371427.db2.gz SRTFCRUPVZPCLG-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001366746959 919371438 /nfs/dbraw/zinc/37/14/38/919371438.db2.gz SRTFCRUPVZPCLG-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO CN(CC(=O)NCC[N@H+](CC(N)=O)C1CC1)S(C)(=O)=O ZINC001366740254 919371475 /nfs/dbraw/zinc/37/14/75/919371475.db2.gz SZLAIGBWPZVTJD-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)NCC[N@@H+](CC(N)=O)C1CC1)S(C)(=O)=O ZINC001366740254 919371490 /nfs/dbraw/zinc/37/14/90/919371490.db2.gz SZLAIGBWPZVTJD-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](CCO)C2CC2)c1=O ZINC001366738637 919372489 /nfs/dbraw/zinc/37/24/89/919372489.db2.gz JMJLZZOUZVXWMX-UHFFFAOYSA-N 1 1 310.354 -1.880 20 0 DAADMO CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001366748413 919373015 /nfs/dbraw/zinc/37/30/15/919373015.db2.gz PTHWPMWZEUOJRH-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001366748413 919373032 /nfs/dbraw/zinc/37/30/32/919373032.db2.gz PTHWPMWZEUOJRH-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001366703831 919373119 /nfs/dbraw/zinc/37/31/19/919373119.db2.gz HJKGINQHTYOPJS-BDAKNGLRSA-N 1 1 311.342 -2.102 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)NC ZINC001366721786 919373230 /nfs/dbraw/zinc/37/32/30/919373230.db2.gz LRUIMDUQJFCPRK-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)CC(=O)NC ZINC001366721786 919373243 /nfs/dbraw/zinc/37/32/43/919373243.db2.gz LRUIMDUQJFCPRK-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001366734432 919373329 /nfs/dbraw/zinc/37/33/29/919373329.db2.gz RVEKWKAJHJLFLL-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001366701230 919375111 /nfs/dbraw/zinc/37/51/11/919375111.db2.gz RHCATENGSXDOQE-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001366701230 919375122 /nfs/dbraw/zinc/37/51/22/919375122.db2.gz RHCATENGSXDOQE-MNOVXSKESA-N 1 1 319.427 -1.019 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001366725949 919375189 /nfs/dbraw/zinc/37/51/89/919375189.db2.gz TVFOBPKPHDNTLB-UHFFFAOYSA-N 1 1 322.369 -1.289 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC(=O)N1)c1nnnn1C ZINC001366772052 919375832 /nfs/dbraw/zinc/37/58/32/919375832.db2.gz ZLCSZYHGXZDJLL-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cccnn1)C1CC1 ZINC001366756801 919378428 /nfs/dbraw/zinc/37/84/28/919378428.db2.gz VPNLPNXHQMJJDE-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cccnn1)C1CC1 ZINC001366756801 919378444 /nfs/dbraw/zinc/37/84/44/919378444.db2.gz VPNLPNXHQMJJDE-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001366759324 919379790 /nfs/dbraw/zinc/37/97/90/919379790.db2.gz MQNPCEMQDYHXCC-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001366759324 919379814 /nfs/dbraw/zinc/37/98/14/919379814.db2.gz MQNPCEMQDYHXCC-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001366817969 919381140 /nfs/dbraw/zinc/38/11/40/919381140.db2.gz JVEJMZQWSHUHBZ-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COC ZINC001366795907 919381407 /nfs/dbraw/zinc/38/14/07/919381407.db2.gz ZGLYDGITORWXFM-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366825390 919381983 /nfs/dbraw/zinc/38/19/83/919381983.db2.gz PKKQRAQPVMROMQ-NWDGAFQWSA-N 1 1 312.374 -1.491 20 0 DAADMO CCCN(C(=O)CS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCO)C1 ZINC001366807791 919382155 /nfs/dbraw/zinc/38/21/55/919382155.db2.gz FNDAQIFBTZCKET-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001366827757 919382309 /nfs/dbraw/zinc/38/23/09/919382309.db2.gz PZCIACMQNZBTSB-STQMWFEESA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1[nH]nnc1C ZINC001366779996 919383254 /nfs/dbraw/zinc/38/32/54/919383254.db2.gz VCVBUUGMEZHZLM-MRVPVSSYSA-N 1 1 311.346 -1.381 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001366783695 919383550 /nfs/dbraw/zinc/38/35/50/919383550.db2.gz CGPUGYBIHRRXGD-NSHDSACASA-N 1 1 313.379 -1.037 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001366839564 919384706 /nfs/dbraw/zinc/38/47/06/919384706.db2.gz ZSLCOKWWBSGCJM-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001366845309 919385198 /nfs/dbraw/zinc/38/51/98/919385198.db2.gz YYEJELCNYMWWKD-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)C1=O ZINC001366834358 919385729 /nfs/dbraw/zinc/38/57/29/919385729.db2.gz QIKXWJYIKNQPAB-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001366845307 919386451 /nfs/dbraw/zinc/38/64/51/919386451.db2.gz YYEJELCNYMWWKD-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001366845311 919386528 /nfs/dbraw/zinc/38/65/28/919386528.db2.gz YYEJELCNYMWWKD-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001366861049 919387469 /nfs/dbraw/zinc/38/74/69/919387469.db2.gz DDOTVIVEANJYED-SDDRHHMPSA-N 1 1 316.402 -1.121 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)C1=O ZINC001366834361 919388103 /nfs/dbraw/zinc/38/81/03/919388103.db2.gz QIKXWJYIKNQPAB-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCN1CCN(CC(N)=O)CC1 ZINC001366857129 919388189 /nfs/dbraw/zinc/38/81/89/919388189.db2.gz MXSUMWMWEBIKFX-UHFFFAOYSA-N 1 1 313.446 -1.111 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001366867730 919388743 /nfs/dbraw/zinc/38/87/43/919388743.db2.gz FVMHOKUVWBMKTB-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001366873212 919389609 /nfs/dbraw/zinc/38/96/09/919389609.db2.gz QHYYJWVBBUIPDG-LBPRGKRZSA-N 1 1 319.373 -1.255 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001366874693 919390194 /nfs/dbraw/zinc/39/01/94/919390194.db2.gz UTBOCMMZIVRYJO-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001366870312 919390843 /nfs/dbraw/zinc/39/08/43/919390843.db2.gz LVYICQHUCSUPMB-MNOVXSKESA-N 1 1 323.397 -1.009 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001366924116 919395971 /nfs/dbraw/zinc/39/59/71/919395971.db2.gz NHWPRHKEKCAHOZ-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001366924117 919397274 /nfs/dbraw/zinc/39/72/74/919397274.db2.gz NHWPRHKEKCAHOZ-KOLCDFICSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001366939622 919403433 /nfs/dbraw/zinc/40/34/33/919403433.db2.gz ITKBNEOLLBLNSZ-NSHDSACASA-N 1 1 323.401 -1.206 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001366946489 919406626 /nfs/dbraw/zinc/40/66/26/919406626.db2.gz AMQHZXBEYHJNKB-JTQLQIEISA-N 1 1 305.400 -1.237 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366981690 919413671 /nfs/dbraw/zinc/41/36/71/919413671.db2.gz AIZFKPVLIBGMPW-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001367000333 919417344 /nfs/dbraw/zinc/41/73/44/919417344.db2.gz LMUNKTOCKHTSPI-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367013102 919421477 /nfs/dbraw/zinc/42/14/77/919421477.db2.gz MEBAKCDZJGDCPR-UWVGGRQHSA-N 1 1 324.403 -2.762 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001367009135 919421725 /nfs/dbraw/zinc/42/17/25/919421725.db2.gz NSCSKAYCOXTLQI-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001367009135 919421735 /nfs/dbraw/zinc/42/17/35/919421735.db2.gz NSCSKAYCOXTLQI-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367016309 919422063 /nfs/dbraw/zinc/42/20/63/919422063.db2.gz UHQCVTMEHXCPNB-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367016309 919422069 /nfs/dbraw/zinc/42/20/69/919422069.db2.gz UHQCVTMEHXCPNB-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001367016303 919422755 /nfs/dbraw/zinc/42/27/55/919422755.db2.gz BOIYMZOVKQGPOR-DCAQKATOSA-N 1 1 321.399 -2.124 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001367007489 919422963 /nfs/dbraw/zinc/42/29/63/919422963.db2.gz RLHNLQSVCUDTFX-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001367007489 919422972 /nfs/dbraw/zinc/42/29/72/919422972.db2.gz RLHNLQSVCUDTFX-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001367013743 919423535 /nfs/dbraw/zinc/42/35/35/919423535.db2.gz JWNJFQPFJNSMSD-DLOVCJGASA-N 1 1 314.386 -1.408 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001367015908 919423558 /nfs/dbraw/zinc/42/35/58/919423558.db2.gz KGQBHTPQMOAYTR-WHOHXGKFSA-N 1 1 315.370 -1.783 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001367031024 919424479 /nfs/dbraw/zinc/42/44/79/919424479.db2.gz QRNQEQQVVODXQG-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001367017543 919424746 /nfs/dbraw/zinc/42/47/46/919424746.db2.gz SILWCFMHTOCJQT-NWDGAFQWSA-N 1 1 324.385 -1.507 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001367030212 919425043 /nfs/dbraw/zinc/42/50/43/919425043.db2.gz BXTJMCNATOSYIS-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001367030212 919425054 /nfs/dbraw/zinc/42/50/54/919425054.db2.gz BXTJMCNATOSYIS-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001367017545 919425088 /nfs/dbraw/zinc/42/50/88/919425088.db2.gz SILWCFMHTOCJQT-RYUDHWBXSA-N 1 1 324.385 -1.507 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001367030264 919425315 /nfs/dbraw/zinc/42/53/15/919425315.db2.gz KIVRAQBNPFGJPY-SNVBAGLBSA-N 1 1 312.374 -1.869 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001367021715 919425996 /nfs/dbraw/zinc/42/59/96/919425996.db2.gz DQNSNWQVAIWAPW-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001367021715 919426005 /nfs/dbraw/zinc/42/60/05/919426005.db2.gz DQNSNWQVAIWAPW-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001367017441 919426121 /nfs/dbraw/zinc/42/61/21/919426121.db2.gz OYUYEESDCCHLIO-UWVGGRQHSA-N 1 1 323.353 -1.613 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001367028449 919427234 /nfs/dbraw/zinc/42/72/34/919427234.db2.gz PUJKDGLVBMTUPK-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001367019548 919427298 /nfs/dbraw/zinc/42/72/98/919427298.db2.gz WKXRZUOJOUKCRH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001367019548 919427308 /nfs/dbraw/zinc/42/73/08/919427308.db2.gz WKXRZUOJOUKCRH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001367030341 919427496 /nfs/dbraw/zinc/42/74/96/919427496.db2.gz DCZUTADWCCYSPB-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001367025467 919427716 /nfs/dbraw/zinc/42/77/16/919427716.db2.gz VWCAWQMCAYYGHG-SNVBAGLBSA-N 1 1 306.388 -2.138 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001367025467 919427722 /nfs/dbraw/zinc/42/77/22/919427722.db2.gz VWCAWQMCAYYGHG-SNVBAGLBSA-N 1 1 306.388 -2.138 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001367035143 919429773 /nfs/dbraw/zinc/42/97/73/919429773.db2.gz PGLXMPJSEPQEHP-VXGBXAGGSA-N 1 1 318.443 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367031961 919430573 /nfs/dbraw/zinc/43/05/73/919430573.db2.gz DLQOXZRWDXBTNT-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001367031961 919430584 /nfs/dbraw/zinc/43/05/84/919430584.db2.gz DLQOXZRWDXBTNT-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001367048299 919431043 /nfs/dbraw/zinc/43/10/43/919431043.db2.gz VBIWSRLTPAMITR-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001367053733 919431646 /nfs/dbraw/zinc/43/16/46/919431646.db2.gz MDMJUDAFCPKJCS-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001367053733 919431653 /nfs/dbraw/zinc/43/16/53/919431653.db2.gz MDMJUDAFCPKJCS-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001367051663 919432068 /nfs/dbraw/zinc/43/20/68/919432068.db2.gz JNSHBVABJCQHAA-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367073443 919433986 /nfs/dbraw/zinc/43/39/86/919433986.db2.gz LXOAMOZRRJGYAA-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367073443 919433990 /nfs/dbraw/zinc/43/39/90/919433990.db2.gz LXOAMOZRRJGYAA-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001367061755 919434156 /nfs/dbraw/zinc/43/41/56/919434156.db2.gz KNQTZAWWZYYXNA-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001367072506 919434605 /nfs/dbraw/zinc/43/46/05/919434605.db2.gz LAIRNXRHCCNPBS-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CCN(C(=O)Cn1nc(C)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001367078904 919435020 /nfs/dbraw/zinc/43/50/20/919435020.db2.gz KOXSRBBPGUYFQR-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO CCN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367075506 919435678 /nfs/dbraw/zinc/43/56/78/919435678.db2.gz UGXJBQBKLXOUBK-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO CCN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367075506 919435683 /nfs/dbraw/zinc/43/56/83/919435683.db2.gz UGXJBQBKLXOUBK-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO CC[C@H](CNC(=O)C[C@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001367108646 919437541 /nfs/dbraw/zinc/43/75/41/919437541.db2.gz WRDCCPQBFWJWPG-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1nnn(C)n1 ZINC001367266351 919447343 /nfs/dbraw/zinc/44/73/43/919447343.db2.gz NKJHHZLGVJJOFH-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+](C[C@H](C)OC)CCO1 ZINC001367300770 919451734 /nfs/dbraw/zinc/45/17/34/919451734.db2.gz KRUUMCZDMNNAOC-QWRGUYRKSA-N 1 1 302.375 -1.233 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)OC)CCO1 ZINC001367300770 919451744 /nfs/dbraw/zinc/45/17/44/919451744.db2.gz KRUUMCZDMNNAOC-QWRGUYRKSA-N 1 1 302.375 -1.233 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306790 919453773 /nfs/dbraw/zinc/45/37/73/919453773.db2.gz JFKNBDATEAWNEV-AAEUAGOBSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306790 919453784 /nfs/dbraw/zinc/45/37/84/919453784.db2.gz JFKNBDATEAWNEV-AAEUAGOBSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305390 919454451 /nfs/dbraw/zinc/45/44/51/919454451.db2.gz GMCLEMAFJNUJDA-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305390 919454463 /nfs/dbraw/zinc/45/44/63/919454463.db2.gz GMCLEMAFJNUJDA-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001367309990 919455075 /nfs/dbraw/zinc/45/50/75/919455075.db2.gz SNJZPCVXBIZLDD-SNVBAGLBSA-N 1 1 311.379 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001367309990 919455081 /nfs/dbraw/zinc/45/50/81/919455081.db2.gz SNJZPCVXBIZLDD-SNVBAGLBSA-N 1 1 311.379 -1.288 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CN1CCOCC1=O ZINC001367357227 919457074 /nfs/dbraw/zinc/45/70/74/919457074.db2.gz JCZGHQKLUBZLJE-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)NC)CCO1 ZINC001367320312 919459319 /nfs/dbraw/zinc/45/93/19/919459319.db2.gz SXJSTTDEJLFSSY-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COCC[C@H]2O)CC1 ZINC001367375608 919461328 /nfs/dbraw/zinc/46/13/28/919461328.db2.gz YRTMCCRLIPLLQD-VXGBXAGGSA-N 1 1 314.386 -1.354 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001367454541 919465151 /nfs/dbraw/zinc/46/51/51/919465151.db2.gz GCKJWSYCWGMXHQ-MWLCHTKSSA-N 1 1 311.390 -1.035 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cnsn1 ZINC001367501258 919469618 /nfs/dbraw/zinc/46/96/18/919469618.db2.gz FHMCHODKGCPZAR-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cnsn1 ZINC001367501258 919469619 /nfs/dbraw/zinc/46/96/19/919469619.db2.gz FHMCHODKGCPZAR-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001367536415 919471407 /nfs/dbraw/zinc/47/14/07/919471407.db2.gz OOQOVTIUFCTZQA-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367536521 919471445 /nfs/dbraw/zinc/47/14/45/919471445.db2.gz OORKKYCBPBFEOK-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367536521 919471457 /nfs/dbraw/zinc/47/14/57/919471457.db2.gz OORKKYCBPBFEOK-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001367519502 919472846 /nfs/dbraw/zinc/47/28/46/919472846.db2.gz MNYBXXOUORMLIB-NSHDSACASA-N 1 1 315.374 -2.021 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001367515435 919473097 /nfs/dbraw/zinc/47/30/97/919473097.db2.gz UWZDXSWZAINGJB-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001367530961 919473131 /nfs/dbraw/zinc/47/31/31/919473131.db2.gz CGTRZMIKEDTNRH-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001367530961 919473135 /nfs/dbraw/zinc/47/31/35/919473135.db2.gz CGTRZMIKEDTNRH-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001367514263 919473180 /nfs/dbraw/zinc/47/31/80/919473180.db2.gz GGSZFZLJHAFJEI-UHFFFAOYSA-N 1 1 314.386 -1.676 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001367514263 919473185 /nfs/dbraw/zinc/47/31/85/919473185.db2.gz GGSZFZLJHAFJEI-UHFFFAOYSA-N 1 1 314.386 -1.676 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367525462 919473401 /nfs/dbraw/zinc/47/34/01/919473401.db2.gz RTPWLIZDRXXKTB-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367525462 919473409 /nfs/dbraw/zinc/47/34/09/919473409.db2.gz RTPWLIZDRXXKTB-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367530211 919474349 /nfs/dbraw/zinc/47/43/49/919474349.db2.gz ACAYCMPLJQZIQE-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001367530211 919474360 /nfs/dbraw/zinc/47/43/60/919474360.db2.gz ACAYCMPLJQZIQE-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)c1cnn(C)n1 ZINC001367543327 919476633 /nfs/dbraw/zinc/47/66/33/919476633.db2.gz VINFYILQNBPBMK-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1cnn(C)n1 ZINC001367543327 919476645 /nfs/dbraw/zinc/47/66/45/919476645.db2.gz VINFYILQNBPBMK-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001367544004 919477978 /nfs/dbraw/zinc/47/79/78/919477978.db2.gz ZMFRDVMIGURHKF-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001367544004 919477984 /nfs/dbraw/zinc/47/79/84/919477984.db2.gz ZMFRDVMIGURHKF-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O)c1nncn1C ZINC001367566884 919479800 /nfs/dbraw/zinc/47/98/00/919479800.db2.gz NRGASWRRLXYYDN-MNOVXSKESA-N 1 1 324.385 -1.435 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001367565026 919481034 /nfs/dbraw/zinc/48/10/34/919481034.db2.gz OKLAMUPJSBRVKX-QMMMGPOBSA-N 1 1 311.346 -1.347 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001367565026 919481037 /nfs/dbraw/zinc/48/10/37/919481037.db2.gz OKLAMUPJSBRVKX-QMMMGPOBSA-N 1 1 311.346 -1.347 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1CCCO1 ZINC001367569060 919481140 /nfs/dbraw/zinc/48/11/40/919481140.db2.gz IYMJHSDZJUVMDK-GHMZBOCLSA-N 1 1 310.358 -1.246 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001367566416 919481269 /nfs/dbraw/zinc/48/12/69/919481269.db2.gz FAGPQVRXBNQFIC-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)[nH]1 ZINC001367571915 919482835 /nfs/dbraw/zinc/48/28/35/919482835.db2.gz UULILVXCPRWCLT-JTQLQIEISA-N 1 1 310.358 -1.794 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001367573526 919484200 /nfs/dbraw/zinc/48/42/00/919484200.db2.gz ULLDOHFVPIBNHW-JQWIXIFHSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367572746 919484781 /nfs/dbraw/zinc/48/47/81/919484781.db2.gz GOLXRVQDZUHZLE-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001367573504 919484819 /nfs/dbraw/zinc/48/48/19/919484819.db2.gz OPRDAYNTOXIQMB-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001367573502 919485106 /nfs/dbraw/zinc/48/51/06/919485106.db2.gz ULLDOHFVPIBNHW-CMPLNLGQSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001367576916 919487243 /nfs/dbraw/zinc/48/72/43/919487243.db2.gz DJKOFTAMNXEIES-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001367576883 919487704 /nfs/dbraw/zinc/48/77/04/919487704.db2.gz DJKOFTAMNXEIES-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ncc[nH]1 ZINC001367578090 919488077 /nfs/dbraw/zinc/48/80/77/919488077.db2.gz BUFMBPPFWQBNKV-VIFPVBQESA-N 1 1 321.341 -1.588 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(CC)n2)nn1 ZINC001367577431 919488554 /nfs/dbraw/zinc/48/85/54/919488554.db2.gz BDCICPFCXHICJG-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367576530 919489222 /nfs/dbraw/zinc/48/92/22/919489222.db2.gz DIEHUSZKGDXRFM-LBPRGKRZSA-N 1 1 319.369 -1.277 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cnn1 ZINC001367580007 919490233 /nfs/dbraw/zinc/49/02/33/919490233.db2.gz JNUIEJUMMCOZLN-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001367580639 919490610 /nfs/dbraw/zinc/49/06/10/919490610.db2.gz LAQRCHZLTCSRAZ-ONGXEEELSA-N 1 1 311.342 -1.665 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001367581136 919491152 /nfs/dbraw/zinc/49/11/52/919491152.db2.gz NJWASETZRRRTQY-VXGBXAGGSA-N 1 1 324.385 -1.296 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001367580406 919491808 /nfs/dbraw/zinc/49/18/08/919491808.db2.gz FHUPNUWHWPONKB-VIFPVBQESA-N 1 1 309.330 -1.305 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2CCC(O)CC2)n1 ZINC001367580161 919492295 /nfs/dbraw/zinc/49/22/95/919492295.db2.gz KEACNVMDVFXGFZ-GDKBPFBDSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001367583443 919493543 /nfs/dbraw/zinc/49/35/43/919493543.db2.gz QILGTXLEMAPEDA-STQMWFEESA-N 1 1 310.402 -1.041 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001367582759 919495546 /nfs/dbraw/zinc/49/55/46/919495546.db2.gz BECLMXWNLAIYEV-WDMOLILDSA-N 1 1 324.385 -1.314 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367583358 919495654 /nfs/dbraw/zinc/49/56/54/919495654.db2.gz QBLWBARCWWACOG-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)c(C)o1 ZINC001367587217 919497687 /nfs/dbraw/zinc/49/76/87/919497687.db2.gz UXFAKXODSVVXTL-MWLCHTKSSA-N 1 1 312.326 -1.033 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001367587464 919497839 /nfs/dbraw/zinc/49/78/39/919497839.db2.gz OZDDZPGWRPEEOB-LBPRGKRZSA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001367587525 919498268 /nfs/dbraw/zinc/49/82/68/919498268.db2.gz RZGRHOXRFOXEMA-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001367586450 919498500 /nfs/dbraw/zinc/49/85/00/919498500.db2.gz UJJJGZXABCTGQE-CBAPKCEASA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001367586455 919498963 /nfs/dbraw/zinc/49/89/63/919498963.db2.gz UJJJGZXABCTGQE-VXNVDRBHSA-N 1 1 308.346 -1.317 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001367586946 919499391 /nfs/dbraw/zinc/49/93/91/919499391.db2.gz WHHQMMMHDATXIG-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2cc[nH]n2)nn1 ZINC001367588868 919500833 /nfs/dbraw/zinc/50/08/33/919500833.db2.gz UAVFEGBPGWZTFD-LBPRGKRZSA-N 1 1 307.358 -1.170 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)n1 ZINC001367589066 919502021 /nfs/dbraw/zinc/50/20/21/919502021.db2.gz XQQDUIIYIQSKJZ-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O ZINC001367590893 919503003 /nfs/dbraw/zinc/50/30/03/919503003.db2.gz BEQCYOXHMGSRJB-MRVPVSSYSA-N 1 1 320.375 -2.789 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)nn1 ZINC001367592635 919504620 /nfs/dbraw/zinc/50/46/20/919504620.db2.gz HIKATSLCGYTUGY-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001367597885 919508056 /nfs/dbraw/zinc/50/80/56/919508056.db2.gz LEXOEXHXKCJTHE-MWLCHTKSSA-N 1 1 311.342 -1.495 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001367597578 919509741 /nfs/dbraw/zinc/50/97/41/919509741.db2.gz AZYQHWUVNOKBEF-WDEREUQCSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001367600105 919512512 /nfs/dbraw/zinc/51/25/12/919512512.db2.gz NKVTTZNZVHLVGP-QMTHXVAHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001367600101 919513389 /nfs/dbraw/zinc/51/33/89/919513389.db2.gz NKVTTZNZVHLVGP-HZMBPMFUSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001367600694 919513464 /nfs/dbraw/zinc/51/34/64/919513464.db2.gz OLLORSDVNCQDCV-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001367603246 919515152 /nfs/dbraw/zinc/51/51/52/919515152.db2.gz GDWYJSIZKRSRGH-STQMWFEESA-N 1 1 310.402 -1.134 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001367601266 919515421 /nfs/dbraw/zinc/51/54/21/919515421.db2.gz BARYPXDJXGETNA-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001367601373 919515646 /nfs/dbraw/zinc/51/56/46/919515646.db2.gz NINHHLDPMKUGOX-DTWKUNHWSA-N 1 1 310.358 -1.963 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001367602971 919516971 /nfs/dbraw/zinc/51/69/71/919516971.db2.gz SOQOMRWEDVWJGH-DTWKUNHWSA-N 1 1 311.346 -2.697 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccccn1 ZINC001367601802 919517054 /nfs/dbraw/zinc/51/70/54/919517054.db2.gz HDMZSIITWYXPJX-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CN[C@H](C)c1nnnn1C ZINC001367606918 919520498 /nfs/dbraw/zinc/52/04/98/919520498.db2.gz YOJLDOOQKVLZOG-MNOVXSKESA-N 1 1 322.373 -1.457 20 0 DAADMO CC[C@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2)C(N)=O ZINC001367604977 919521827 /nfs/dbraw/zinc/52/18/27/919521827.db2.gz JEVWYXAIKPOMAU-WPRPVWTQSA-N 1 1 309.370 -1.157 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2)C(N)=O ZINC001367604900 919522253 /nfs/dbraw/zinc/52/22/53/919522253.db2.gz JEVWYXAIKPOMAU-PSASIEDQSA-N 1 1 309.370 -1.157 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)NC1CCCC1 ZINC001367607584 919523557 /nfs/dbraw/zinc/52/35/57/919523557.db2.gz MQXALCNJQMFCCF-GXSJLCMTSA-N 1 1 324.385 -1.068 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)c1[nH]nc2c1CCC2 ZINC001367609032 919524969 /nfs/dbraw/zinc/52/49/69/919524969.db2.gz PVOMZOXVUITLFI-CABZTGNLSA-N 1 1 321.381 -1.143 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)c1[nH]nc2c1CCC2 ZINC001367609030 919525737 /nfs/dbraw/zinc/52/57/37/919525737.db2.gz PVOMZOXVUITLFI-BXKDBHETSA-N 1 1 321.381 -1.143 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)c1[nH]nc2c1CCC2 ZINC001367609036 919525976 /nfs/dbraw/zinc/52/59/76/919525976.db2.gz PVOMZOXVUITLFI-SKDRFNHKSA-N 1 1 321.381 -1.143 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001367611774 919528408 /nfs/dbraw/zinc/52/84/08/919528408.db2.gz XAUIIZKBDFZLOR-DCQANWLSSA-N 1 1 309.370 -1.243 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cccc(=O)n2C)n1 ZINC001367612073 919528606 /nfs/dbraw/zinc/52/86/06/919528606.db2.gz WRXHIWQCWBNGIH-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001367619190 919531337 /nfs/dbraw/zinc/53/13/37/919531337.db2.gz IEFGOUDSYNCPJP-SNVBAGLBSA-N 1 1 322.373 -1.466 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367619776 919535682 /nfs/dbraw/zinc/53/56/82/919535682.db2.gz PZUOKFPCDPPNDD-LBPRGKRZSA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367619443 919536181 /nfs/dbraw/zinc/53/61/81/919536181.db2.gz GPNBPSINFPFEPK-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001367621613 919537050 /nfs/dbraw/zinc/53/70/50/919537050.db2.gz LPFYAJFFTCXOBZ-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367625508 919538759 /nfs/dbraw/zinc/53/87/59/919538759.db2.gz QRZUZVNRIAOFII-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367625508 919538771 /nfs/dbraw/zinc/53/87/71/919538771.db2.gz QRZUZVNRIAOFII-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001367662444 919550219 /nfs/dbraw/zinc/55/02/19/919550219.db2.gz MCRXZWYYEOTVRJ-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001367666693 919550277 /nfs/dbraw/zinc/55/02/77/919550277.db2.gz SJXHZKOZXKAQBS-SFYZADRCSA-N 1 1 310.362 -1.341 20 0 DAADMO CCn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)ccc1=O ZINC001367668094 919552791 /nfs/dbraw/zinc/55/27/91/919552791.db2.gz UPSRDDXNYFHPRB-JTQLQIEISA-N 1 1 322.325 -1.473 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367685417 919555713 /nfs/dbraw/zinc/55/57/13/919555713.db2.gz RDYIDYDAEHUXLH-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001367680370 919556385 /nfs/dbraw/zinc/55/63/85/919556385.db2.gz TVPOSRFZWYGMJB-HTQZYQBOSA-N 1 1 304.376 -1.763 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)c1nnn(C)n1 ZINC001367691369 919558335 /nfs/dbraw/zinc/55/83/35/919558335.db2.gz HKTAQYLMILNZBN-MRVPVSSYSA-N 1 1 311.325 -1.321 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001367692242 919558775 /nfs/dbraw/zinc/55/87/75/919558775.db2.gz QIUCJFMUVQSYFJ-VXNVDRBHSA-N 1 1 308.346 -1.716 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001367713465 919560134 /nfs/dbraw/zinc/56/01/34/919560134.db2.gz UKNBXUCEPBPYSN-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN(C)S(C)(=O)=O ZINC001367734039 919561425 /nfs/dbraw/zinc/56/14/25/919561425.db2.gz LEZZUFVGHUQLEL-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)N1CCCC1 ZINC001367730452 919562683 /nfs/dbraw/zinc/56/26/83/919562683.db2.gz BCSBXBZRCJBXLQ-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CN1CCCNC1=O ZINC001367740646 919566388 /nfs/dbraw/zinc/56/63/88/919566388.db2.gz NTCSHCIXRBNYBX-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001367787629 919568690 /nfs/dbraw/zinc/56/86/90/919568690.db2.gz BLRWOVCHQDHNEV-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001367787629 919568704 /nfs/dbraw/zinc/56/87/04/919568704.db2.gz BLRWOVCHQDHNEV-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001367776047 919569270 /nfs/dbraw/zinc/56/92/70/919569270.db2.gz WXNONZXQBAKEIQ-BDAKNGLRSA-N 1 1 318.403 -1.515 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCC(=O)NC1=O ZINC001367765696 919570641 /nfs/dbraw/zinc/57/06/41/919570641.db2.gz CFSUEWKFWVKJFM-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ncn[nH]1 ZINC001367762786 919570758 /nfs/dbraw/zinc/57/07/58/919570758.db2.gz KISAMHIWNPVQJX-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)c1nc[nH]n1 ZINC001367762786 919570777 /nfs/dbraw/zinc/57/07/77/919570777.db2.gz KISAMHIWNPVQJX-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnccn1 ZINC001367779707 919571513 /nfs/dbraw/zinc/57/15/13/919571513.db2.gz DMSMONLZLVUPMK-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnccn1 ZINC001367779707 919571525 /nfs/dbraw/zinc/57/15/25/919571525.db2.gz DMSMONLZLVUPMK-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367790724 919573914 /nfs/dbraw/zinc/57/39/14/919573914.db2.gz SWBFTXOXZUGDGU-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001367813813 919574511 /nfs/dbraw/zinc/57/45/11/919574511.db2.gz XNRBACLOMHUPHO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001367813813 919574515 /nfs/dbraw/zinc/57/45/15/919574515.db2.gz XNRBACLOMHUPHO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1ncnn1 ZINC001367805224 919574555 /nfs/dbraw/zinc/57/45/55/919574555.db2.gz KQNNDKXQJFDFCS-SNVBAGLBSA-N 1 1 310.362 -1.865 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001367795402 919575409 /nfs/dbraw/zinc/57/54/09/919575409.db2.gz SEEXMGXBHXVUPI-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001367795402 919575425 /nfs/dbraw/zinc/57/54/25/919575425.db2.gz SEEXMGXBHXVUPI-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367804989 919575525 /nfs/dbraw/zinc/57/55/25/919575525.db2.gz NGAYTAGIJISZGH-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367804989 919575536 /nfs/dbraw/zinc/57/55/36/919575536.db2.gz NGAYTAGIJISZGH-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001367803100 919575912 /nfs/dbraw/zinc/57/59/12/919575912.db2.gz JVOCSLHQWKUODL-QWRGUYRKSA-N 1 1 312.370 -1.162 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccn(C)n1 ZINC001367808344 919576231 /nfs/dbraw/zinc/57/62/31/919576231.db2.gz XIJMLXXBOLGFNG-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1ccn(C)n1 ZINC001367808344 919576237 /nfs/dbraw/zinc/57/62/37/919576237.db2.gz XIJMLXXBOLGFNG-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001367853922 919577146 /nfs/dbraw/zinc/57/71/46/919577146.db2.gz ZEQKGGWEMGQVGM-ZETCQYMHSA-N 1 1 300.315 -1.061 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001367857681 919577550 /nfs/dbraw/zinc/57/75/50/919577550.db2.gz UALGNDVWPBBWHP-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cn1ccccc1=O ZINC001367857681 919577564 /nfs/dbraw/zinc/57/75/64/919577564.db2.gz UALGNDVWPBBWHP-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccn(C)c1=O ZINC001367844471 919578161 /nfs/dbraw/zinc/57/81/61/919578161.db2.gz BJAQOUIVSFVAOU-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccn(C)c1=O ZINC001367844471 919578169 /nfs/dbraw/zinc/57/81/69/919578169.db2.gz BJAQOUIVSFVAOU-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001367842544 919578797 /nfs/dbraw/zinc/57/87/97/919578797.db2.gz KCYMPTXTUVESHN-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001367842544 919578809 /nfs/dbraw/zinc/57/88/09/919578809.db2.gz KCYMPTXTUVESHN-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccn(C)c1=O ZINC001367844464 919578884 /nfs/dbraw/zinc/57/88/84/919578884.db2.gz BJAQOUIVSFVAOU-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccn(C)c1=O ZINC001367844464 919578899 /nfs/dbraw/zinc/57/88/99/919578899.db2.gz BJAQOUIVSFVAOU-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001367845481 919579214 /nfs/dbraw/zinc/57/92/14/919579214.db2.gz VLSYHUIDXCHDGO-NSHDSACASA-N 1 1 324.389 -1.475 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842553 919580033 /nfs/dbraw/zinc/58/00/33/919580033.db2.gz KGYPYXSHXIEBPG-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842553 919580048 /nfs/dbraw/zinc/58/00/48/919580048.db2.gz KGYPYXSHXIEBPG-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cncn1C ZINC001367852142 919580450 /nfs/dbraw/zinc/58/04/50/919580450.db2.gz ITQRUAWQOIEPBM-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cncn1C ZINC001367852142 919580464 /nfs/dbraw/zinc/58/04/64/919580464.db2.gz ITQRUAWQOIEPBM-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C[NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001367876300 919582094 /nfs/dbraw/zinc/58/20/94/919582094.db2.gz MDKMZCOSZOHUBY-KWQFWETISA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887803 919582826 /nfs/dbraw/zinc/58/28/26/919582826.db2.gz RWAXHGYLJUZIDD-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887803 919582839 /nfs/dbraw/zinc/58/28/39/919582839.db2.gz RWAXHGYLJUZIDD-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001367898602 919583976 /nfs/dbraw/zinc/58/39/76/919583976.db2.gz XYHKWCFCTGRJKV-MNOVXSKESA-N 1 1 310.358 -1.390 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)Cc1cnc[nH]1)C1CC1 ZINC001367910015 919584209 /nfs/dbraw/zinc/58/42/09/919584209.db2.gz HXTCBAXJYLEMBM-NSHDSACASA-N 1 1 322.369 -1.108 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001367898615 919585525 /nfs/dbraw/zinc/58/55/25/919585525.db2.gz XYHKWCFCTGRJKV-WDEREUQCSA-N 1 1 310.358 -1.390 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367888073 919586651 /nfs/dbraw/zinc/58/66/51/919586651.db2.gz RWYGVJJSWRFQGV-WDEREUQCSA-N 1 1 313.402 -1.881 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001367919275 919586784 /nfs/dbraw/zinc/58/67/84/919586784.db2.gz BKORAVGQUVAKCE-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001367942872 919590205 /nfs/dbraw/zinc/59/02/05/919590205.db2.gz FHBDRAGXDKXNES-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001367942208 919590773 /nfs/dbraw/zinc/59/07/73/919590773.db2.gz XNQQASAFTPAFAG-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001367954054 919591779 /nfs/dbraw/zinc/59/17/79/919591779.db2.gz GCSNKTXPBHSFQA-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001367949616 919593653 /nfs/dbraw/zinc/59/36/53/919593653.db2.gz ZBPYKJSZKKZDSO-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001367955538 919594166 /nfs/dbraw/zinc/59/41/66/919594166.db2.gz UWNYEAUTBCTYLW-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001367955538 919594171 /nfs/dbraw/zinc/59/41/71/919594171.db2.gz UWNYEAUTBCTYLW-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001367969032 919595851 /nfs/dbraw/zinc/59/58/51/919595851.db2.gz JTBHSYJLSXUKGQ-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001367969032 919595866 /nfs/dbraw/zinc/59/58/66/919595866.db2.gz JTBHSYJLSXUKGQ-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001367969033 919597825 /nfs/dbraw/zinc/59/78/25/919597825.db2.gz JTBHSYJLSXUKGQ-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001367969033 919597834 /nfs/dbraw/zinc/59/78/34/919597834.db2.gz JTBHSYJLSXUKGQ-SNVBAGLBSA-N 1 1 307.358 -1.437 20 0 DAADMO Cn1cnc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)c1 ZINC001367991358 919598325 /nfs/dbraw/zinc/59/83/25/919598325.db2.gz CMMYTHNUZVVLOB-UHFFFAOYSA-N 1 1 305.342 -1.106 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001367994260 919599510 /nfs/dbraw/zinc/59/95/10/919599510.db2.gz YXHJKYZZBCUZJJ-NXEZZACHSA-N 1 1 311.386 -1.098 20 0 DAADMO Cc1nc(CC(=O)NCC2([NH2+]CCN3CCNC3=O)CC2)n[nH]1 ZINC001367995742 919599618 /nfs/dbraw/zinc/59/96/18/919599618.db2.gz GSVGIIAXSIPIBA-UHFFFAOYSA-N 1 1 321.385 -1.081 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001368061057 919608752 /nfs/dbraw/zinc/60/87/52/919608752.db2.gz DBOOJFPVIUSXFK-OCCSQVGLSA-N 1 1 324.385 -1.395 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368078221 919611546 /nfs/dbraw/zinc/61/15/46/919611546.db2.gz WYVPVKODVAXVEC-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001368118690 919618773 /nfs/dbraw/zinc/61/87/73/919618773.db2.gz RLBNEXCPYDONSO-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158306 919621981 /nfs/dbraw/zinc/62/19/81/919621981.db2.gz CDNPHEDTPKCFFQ-YGRLFVJLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158306 919621996 /nfs/dbraw/zinc/62/19/96/919621996.db2.gz CDNPHEDTPKCFFQ-YGRLFVJLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163617 919622322 /nfs/dbraw/zinc/62/23/22/919622322.db2.gz QFNZMYWDXPVWLB-HZMBPMFUSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163617 919622353 /nfs/dbraw/zinc/62/23/53/919622353.db2.gz QFNZMYWDXPVWLB-HZMBPMFUSA-N 1 1 324.385 -1.574 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001368159833 919623347 /nfs/dbraw/zinc/62/33/47/919623347.db2.gz MWYOYBYQORILRZ-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001368159833 919623353 /nfs/dbraw/zinc/62/33/53/919623353.db2.gz MWYOYBYQORILRZ-OQPBUACISA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001368161818 919623683 /nfs/dbraw/zinc/62/36/83/919623683.db2.gz RKZXOEMGIMVOQI-MFKMUULPSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001368161813 919623724 /nfs/dbraw/zinc/62/37/24/919623724.db2.gz RKZXOEMGIMVOQI-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169602 919623816 /nfs/dbraw/zinc/62/38/16/919623816.db2.gz DSYOUBCAZIKNJO-ZANVPECISA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169602 919623821 /nfs/dbraw/zinc/62/38/21/919623821.db2.gz DSYOUBCAZIKNJO-ZANVPECISA-N 1 1 323.357 -1.558 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001368146027 919623935 /nfs/dbraw/zinc/62/39/35/919623935.db2.gz CAQIIJRWTAYFCC-BXUZGUMPSA-N 1 1 316.402 -1.107 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368159646 919624335 /nfs/dbraw/zinc/62/43/35/919624335.db2.gz GLEJVDNLDKUAML-YGRLFVJLSA-N 1 1 310.354 -1.029 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@](C)(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001368191884 919626621 /nfs/dbraw/zinc/62/66/21/919626621.db2.gz CLCRHLJDEYKFJS-CYBMUJFWSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001368194460 919627044 /nfs/dbraw/zinc/62/70/44/919627044.db2.gz UWYNIUMQNAROPA-GFCCVEGCSA-N 1 1 305.346 -1.030 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368180683 919627427 /nfs/dbraw/zinc/62/74/27/919627427.db2.gz UBFDKEXZNIHEOV-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368180684 919627623 /nfs/dbraw/zinc/62/76/23/919627623.db2.gz UBFDKEXZNIHEOV-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@]1(NC(=O)CN2CCC(=O)NC2=O)CC[N@@H+](CCCO)C1 ZINC001368185582 919627639 /nfs/dbraw/zinc/62/76/39/919627639.db2.gz XHSMXJRWOLNHAC-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001368240724 919630390 /nfs/dbraw/zinc/63/03/90/919630390.db2.gz UTBLRCYRHKRUBV-BXUZGUMPSA-N 1 1 312.370 -2.094 20 0 DAADMO Cn1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001368243387 919630532 /nfs/dbraw/zinc/63/05/32/919630532.db2.gz GDZYHJZKTZMFPV-IUODEOHRSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001368243387 919630545 /nfs/dbraw/zinc/63/05/45/919630545.db2.gz GDZYHJZKTZMFPV-IUODEOHRSA-N 1 1 321.381 -1.596 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368244222 919630597 /nfs/dbraw/zinc/63/05/97/919630597.db2.gz DPJYVYSOEXIELZ-QMTHXVAHSA-N 1 1 310.354 -1.095 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001368242310 919631054 /nfs/dbraw/zinc/63/10/54/919631054.db2.gz AUALWKAGGOOQJJ-XHDPSFHLSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1ccc(CC(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001368242310 919631068 /nfs/dbraw/zinc/63/10/68/919631068.db2.gz AUALWKAGGOOQJJ-XHDPSFHLSA-N 1 1 323.397 -1.128 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cccn3)C2)C1=O ZINC001368240229 919631473 /nfs/dbraw/zinc/63/14/73/919631473.db2.gz HSZZFEFYKXGOKV-DOMZBBRYSA-N 1 1 321.381 -1.333 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001368241427 919631689 /nfs/dbraw/zinc/63/16/89/919631689.db2.gz XNJKZTVCJFHGNF-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001368241427 919631696 /nfs/dbraw/zinc/63/16/96/919631696.db2.gz XNJKZTVCJFHGNF-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001368247294 919634796 /nfs/dbraw/zinc/63/47/96/919634796.db2.gz DVNXPYLCSXPSBL-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001368247294 919634805 /nfs/dbraw/zinc/63/48/05/919634805.db2.gz DVNXPYLCSXPSBL-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001368247350 919635030 /nfs/dbraw/zinc/63/50/30/919635030.db2.gz HWGPOPCYCLCCCJ-QMTHXVAHSA-N 1 1 324.385 -1.527 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368246032 919635110 /nfs/dbraw/zinc/63/51/10/919635110.db2.gz HNSGREKULIVLQU-RISCZKNCSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368246032 919635118 /nfs/dbraw/zinc/63/51/18/919635118.db2.gz HNSGREKULIVLQU-RISCZKNCSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cccn2nnnc12 ZINC001368247948 919635406 /nfs/dbraw/zinc/63/54/06/919635406.db2.gz QKCLPLDDAURATR-CYBMUJFWSA-N 1 1 306.326 -1.717 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001368245970 919636482 /nfs/dbraw/zinc/63/64/82/919636482.db2.gz IWOUNGXSMAATGM-ZANVPECISA-N 1 1 300.359 -1.207 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001368245970 919636493 /nfs/dbraw/zinc/63/64/93/919636493.db2.gz IWOUNGXSMAATGM-ZANVPECISA-N 1 1 300.359 -1.207 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001368246147 919636520 /nfs/dbraw/zinc/63/65/20/919636520.db2.gz DHUCXRJMXIWCAQ-JSGCOSHPSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001368247351 919636629 /nfs/dbraw/zinc/63/66/29/919636629.db2.gz HWGPOPCYCLCCCJ-YGRLFVJLSA-N 1 1 324.385 -1.527 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001368244986 919636774 /nfs/dbraw/zinc/63/67/74/919636774.db2.gz ICEVJORXYIBWPS-CQSZACIVSA-N 1 1 312.370 -2.092 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001368244986 919636789 /nfs/dbraw/zinc/63/67/89/919636789.db2.gz ICEVJORXYIBWPS-CQSZACIVSA-N 1 1 312.370 -2.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001368257584 919638347 /nfs/dbraw/zinc/63/83/47/919638347.db2.gz FSVBKBJSIBWSOQ-QMTHXVAHSA-N 1 1 309.370 -1.360 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(=O)COC)C1 ZINC001368253723 919638693 /nfs/dbraw/zinc/63/86/93/919638693.db2.gz TWCGNZVUZIIRIS-CQSZACIVSA-N 1 1 317.386 -1.709 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1ccc2n[nH]nc2n1 ZINC001368253049 919638719 /nfs/dbraw/zinc/63/87/19/919638719.db2.gz RSHAAGFISKOSNE-CQSZACIVSA-N 1 1 320.353 -1.098 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001368254747 919639344 /nfs/dbraw/zinc/63/93/44/919639344.db2.gz XPNJKGDEWJZRPC-IAQYHMDHSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001368252809 919639719 /nfs/dbraw/zinc/63/97/19/919639719.db2.gz MTNWJEQCNYKJAI-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001368252809 919639733 /nfs/dbraw/zinc/63/97/33/919639733.db2.gz MTNWJEQCNYKJAI-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001368250736 919639803 /nfs/dbraw/zinc/63/98/03/919639803.db2.gz NWDMTJGJJVFDHD-BXUZGUMPSA-N 1 1 314.386 -1.495 20 0 DAADMO CC[C@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001368252242 919639930 /nfs/dbraw/zinc/63/99/30/919639930.db2.gz CIQCPBQMMPOPEJ-TVQRCGJNSA-N 1 1 318.349 -1.257 20 0 DAADMO CC[C@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001368252242 919639943 /nfs/dbraw/zinc/63/99/43/919639943.db2.gz CIQCPBQMMPOPEJ-TVQRCGJNSA-N 1 1 318.349 -1.257 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001368255463 919640799 /nfs/dbraw/zinc/64/07/99/919640799.db2.gz YOABDZSXBGWNLG-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001368255463 919640806 /nfs/dbraw/zinc/64/08/06/919640806.db2.gz YOABDZSXBGWNLG-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(=O)C2CC2)C1 ZINC001368254756 919640922 /nfs/dbraw/zinc/64/09/22/919640922.db2.gz XPNJKGDEWJZRPC-XHDPSFHLSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001368252810 919641061 /nfs/dbraw/zinc/64/10/61/919641061.db2.gz MTNWJEQCNYKJAI-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001368252810 919641069 /nfs/dbraw/zinc/64/10/69/919641069.db2.gz MTNWJEQCNYKJAI-CQSZACIVSA-N 1 1 309.370 -1.325 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(=O)COC)C1 ZINC001368253649 919641116 /nfs/dbraw/zinc/64/11/16/919641116.db2.gz TWCGNZVUZIIRIS-AWEZNQCLSA-N 1 1 317.386 -1.709 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001368254685 919641317 /nfs/dbraw/zinc/64/13/17/919641317.db2.gz FBLRGNQBFFWXRZ-AWEZNQCLSA-N 1 1 310.329 -1.199 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001368254685 919641324 /nfs/dbraw/zinc/64/13/24/919641324.db2.gz FBLRGNQBFFWXRZ-AWEZNQCLSA-N 1 1 310.329 -1.199 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368252863 919641482 /nfs/dbraw/zinc/64/14/82/919641482.db2.gz DMMPPBZDSFSEON-HZMBPMFUSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)cn1 ZINC001368261727 919642429 /nfs/dbraw/zinc/64/24/29/919642429.db2.gz FIIOIENAGUZNIH-ZDUSSCGKSA-N 1 1 320.357 -1.690 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)c3nnn(C)n3)C2)cn1 ZINC001368261727 919642441 /nfs/dbraw/zinc/64/24/41/919642441.db2.gz FIIOIENAGUZNIH-ZDUSSCGKSA-N 1 1 320.357 -1.690 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001368260824 919642884 /nfs/dbraw/zinc/64/28/84/919642884.db2.gz SJKGXNPSFZACOS-HZMBPMFUSA-N 1 1 322.369 -1.490 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001368264884 919643792 /nfs/dbraw/zinc/64/37/92/919643792.db2.gz XNORKLHEHRGQQK-NSHDSACASA-N 1 1 308.404 -2.045 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnn2cccnc12 ZINC001368263814 919643873 /nfs/dbraw/zinc/64/38/73/919643873.db2.gz ZWPRTTHSFCYWIM-CQSZACIVSA-N 1 1 305.338 -1.112 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001368264881 919643906 /nfs/dbraw/zinc/64/39/06/919643906.db2.gz XNORKLHEHRGQQK-LLVKDONJSA-N 1 1 308.404 -2.045 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368264580 919644050 /nfs/dbraw/zinc/64/40/50/919644050.db2.gz OSNMCMACDHRICO-NOZJJQNGSA-N 1 1 313.358 -2.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368264580 919644059 /nfs/dbraw/zinc/64/40/59/919644059.db2.gz OSNMCMACDHRICO-NOZJJQNGSA-N 1 1 313.358 -2.643 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368262121 919644490 /nfs/dbraw/zinc/64/44/90/919644490.db2.gz PJAMLAWEWRMERQ-AWEZNQCLSA-N 1 1 319.369 -1.203 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001368262583 919644699 /nfs/dbraw/zinc/64/46/99/919644699.db2.gz TTXVLNZXQSGQMG-HZMBPMFUSA-N 1 1 310.354 -1.672 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001368262586 919645317 /nfs/dbraw/zinc/64/53/17/919645317.db2.gz TTXVLNZXQSGQMG-IINYFYTJSA-N 1 1 310.354 -1.672 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001368263272 919645519 /nfs/dbraw/zinc/64/55/19/919645519.db2.gz YKWIBUFLUDEHPL-RULNRJAQSA-N 1 1 312.370 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001368263272 919645532 /nfs/dbraw/zinc/64/55/32/919645532.db2.gz YKWIBUFLUDEHPL-RULNRJAQSA-N 1 1 312.370 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001368262348 919645735 /nfs/dbraw/zinc/64/57/35/919645735.db2.gz QCGLHHHQJRNKAT-IUODEOHRSA-N 1 1 323.397 -1.121 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001368263234 919646115 /nfs/dbraw/zinc/64/61/15/919646115.db2.gz IICUDYMIUVSQQP-GVXVVHGQSA-N 1 1 319.427 -1.255 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001368263234 919646127 /nfs/dbraw/zinc/64/61/27/919646127.db2.gz IICUDYMIUVSQQP-GVXVVHGQSA-N 1 1 319.427 -1.255 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001368267797 919647793 /nfs/dbraw/zinc/64/77/93/919647793.db2.gz ILQFXCGNFFTGPX-AWEZNQCLSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001368266505 919648007 /nfs/dbraw/zinc/64/80/07/919648007.db2.gz NLJMHAXBCYUAJM-TVQRCGJNSA-N 1 1 323.357 -2.393 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001368266505 919648018 /nfs/dbraw/zinc/64/80/18/919648018.db2.gz NLJMHAXBCYUAJM-TVQRCGJNSA-N 1 1 323.357 -2.393 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001368267863 919648439 /nfs/dbraw/zinc/64/84/39/919648439.db2.gz WYPNIDOXPFXPMT-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnc(C)c2)C1 ZINC001368265272 919648492 /nfs/dbraw/zinc/64/84/92/919648492.db2.gz NBDXESNTGBFUQS-ZFWWWQNUSA-N 1 1 324.381 -1.041 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368266448 919648574 /nfs/dbraw/zinc/64/85/74/919648574.db2.gz PQKBQGZENZQWEM-ABAIWWIYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368266448 919648586 /nfs/dbraw/zinc/64/85/86/919648586.db2.gz PQKBQGZENZQWEM-ABAIWWIYSA-N 1 1 321.381 -1.042 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368269459 919649026 /nfs/dbraw/zinc/64/90/26/919649026.db2.gz WMHGDNIHRWENRK-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368269459 919649039 /nfs/dbraw/zinc/64/90/39/919649039.db2.gz WMHGDNIHRWENRK-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H]3CCCCO3)C2)n1 ZINC001368269539 919650803 /nfs/dbraw/zinc/65/08/03/919650803.db2.gz UQBAAZBVKQDYLH-BXUZGUMPSA-N 1 1 324.385 -1.054 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001368269042 919650306 /nfs/dbraw/zinc/65/03/06/919650306.db2.gz WIQSHAZDZYAFJN-ABAIWWIYSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001368269042 919650318 /nfs/dbraw/zinc/65/03/18/919650318.db2.gz WIQSHAZDZYAFJN-ABAIWWIYSA-N 1 1 319.365 -1.160 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1cn[nH]n1 ZINC001368267583 919651031 /nfs/dbraw/zinc/65/10/31/919651031.db2.gz ZXCGWMUMMRAQAD-AWEZNQCLSA-N 1 1 322.369 -1.503 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H]3CCCCO3)C2)n1 ZINC001368269543 919651142 /nfs/dbraw/zinc/65/11/42/919651142.db2.gz UQBAAZBVKQDYLH-RISCZKNCSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(CN1CCCCC1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001368266968 919651462 /nfs/dbraw/zinc/65/14/62/919651462.db2.gz YQCGGTWFNXAIMW-HNNXBMFYSA-N 1 1 313.398 -1.066 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368272626 919654135 /nfs/dbraw/zinc/65/41/35/919654135.db2.gz MIVVUVOZFCUSRG-CQSZACIVSA-N 1 1 301.387 -1.164 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001368274787 919654717 /nfs/dbraw/zinc/65/47/17/919654717.db2.gz UAUCADMOXBZZOT-FZMZJTMJSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001368275409 919654795 /nfs/dbraw/zinc/65/47/95/919654795.db2.gz JATKFSMPRXYQDN-ZUZCIYMTSA-N 1 1 322.365 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368276255 919654961 /nfs/dbraw/zinc/65/49/61/919654961.db2.gz OTCQRILDOOASCU-LBPRGKRZSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001368276135 919655794 /nfs/dbraw/zinc/65/57/94/919655794.db2.gz LUMBSGQZOBUEIB-BMIGLBTASA-N 1 1 322.365 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001368273176 919656402 /nfs/dbraw/zinc/65/64/02/919656402.db2.gz ACKXUYAOBUCJTF-QMTHXVAHSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001368273176 919656417 /nfs/dbraw/zinc/65/64/17/919656417.db2.gz ACKXUYAOBUCJTF-QMTHXVAHSA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001368272083 919656727 /nfs/dbraw/zinc/65/67/27/919656727.db2.gz JXPLSQDMOAGIFW-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001368274202 919656925 /nfs/dbraw/zinc/65/69/25/919656925.db2.gz XDJYKLKBDSRMDP-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001368274200 919656952 /nfs/dbraw/zinc/65/69/52/919656952.db2.gz XDJYKLKBDSRMDP-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001368280627 919658514 /nfs/dbraw/zinc/65/85/14/919658514.db2.gz BLYSMQHMLAYBNA-HNNXBMFYSA-N 1 1 322.413 -1.073 20 0 DAADMO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368280627 919658521 /nfs/dbraw/zinc/65/85/21/919658521.db2.gz BLYSMQHMLAYBNA-HNNXBMFYSA-N 1 1 322.413 -1.073 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3ccnc3)C2)C1=O ZINC001368276531 919658700 /nfs/dbraw/zinc/65/87/00/919658700.db2.gz OJASQMZINHJKHF-WFASDCNBSA-N 1 1 321.381 -1.333 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278070 919659045 /nfs/dbraw/zinc/65/90/45/919659045.db2.gz JVSZICRJDYDBJT-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278070 919659058 /nfs/dbraw/zinc/65/90/58/919659058.db2.gz JVSZICRJDYDBJT-XPTSAGLGSA-N 1 1 308.338 -1.172 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)cn1 ZINC001368277032 919659540 /nfs/dbraw/zinc/65/95/40/919659540.db2.gz QFVSAWBVUCORLP-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3ccnc3)C2)C1=O ZINC001368276528 919660829 /nfs/dbraw/zinc/66/08/29/919660829.db2.gz OJASQMZINHJKHF-SWLSCSKDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001368285585 919663413 /nfs/dbraw/zinc/66/34/13/919663413.db2.gz LLMILCDEVTYOMF-CQSZACIVSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001368285585 919663422 /nfs/dbraw/zinc/66/34/22/919663422.db2.gz LLMILCDEVTYOMF-CQSZACIVSA-N 1 1 322.369 -1.890 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001368288746 919666810 /nfs/dbraw/zinc/66/68/10/919666810.db2.gz HWVJPBHVEGGOSR-GFCCVEGCSA-N 1 1 311.382 -1.336 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001368289269 919667576 /nfs/dbraw/zinc/66/75/76/919667576.db2.gz QPSHQPXYKIQGOJ-CQSZACIVSA-N 1 1 319.369 -1.272 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001368292209 919669816 /nfs/dbraw/zinc/66/98/16/919669816.db2.gz YLIJCXBSOOFKLC-FZMZJTMJSA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368292252 919670115 /nfs/dbraw/zinc/67/01/15/919670115.db2.gz YOEACNRPECSCOS-DZGCQCFKSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368292252 919670127 /nfs/dbraw/zinc/67/01/27/919670127.db2.gz YOEACNRPECSCOS-DZGCQCFKSA-N 1 1 315.414 -1.500 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001368292204 919670773 /nfs/dbraw/zinc/67/07/73/919670773.db2.gz YLIJCXBSOOFKLC-BXUZGUMPSA-N 1 1 309.370 -1.149 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001368294586 919672623 /nfs/dbraw/zinc/67/26/23/919672623.db2.gz JSHQYEAMGJHUDM-JTQLQIEISA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001368294461 919672963 /nfs/dbraw/zinc/67/29/63/919672963.db2.gz KMIHCOWBEHRHIW-GHMZBOCLSA-N 1 1 323.401 -1.787 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001368293230 919673425 /nfs/dbraw/zinc/67/34/25/919673425.db2.gz WUDHOMTYHHPHAL-NSHDSACASA-N 1 1 315.370 -1.068 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001368297424 919676920 /nfs/dbraw/zinc/67/69/20/919676920.db2.gz BJRSTWLLUSXMHG-UHFFFAOYSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1(O)CN(CCO)C1)CC2 ZINC001368304281 919682108 /nfs/dbraw/zinc/68/21/08/919682108.db2.gz AJARKUBZSIULED-LBPRGKRZSA-N 1 1 308.382 -1.091 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCCNC2=O)C1 ZINC001368304158 919683620 /nfs/dbraw/zinc/68/36/20/919683620.db2.gz PHBFOGSAQWGQEE-NEPJUHHUSA-N 1 1 310.398 -1.478 20 0 DAADMO C[N@@H+](CCNC(=O)NCc1nnc2n1CCNC2=O)C1CC1 ZINC001368311335 919687647 /nfs/dbraw/zinc/68/76/47/919687647.db2.gz GYAADUPZLHNPFU-UHFFFAOYSA-N 1 1 307.358 -1.085 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368318432 919692145 /nfs/dbraw/zinc/69/21/45/919692145.db2.gz HYOMOSGCNXBIHD-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@@H](CC)C(N)=O)C1 ZINC001368322420 919694227 /nfs/dbraw/zinc/69/42/27/919694227.db2.gz XALAGEONYKCNME-NSHDSACASA-N 1 1 300.403 -1.245 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368320224 919696095 /nfs/dbraw/zinc/69/60/95/919696095.db2.gz YKARWLQPPGABLX-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001368329626 919697566 /nfs/dbraw/zinc/69/75/66/919697566.db2.gz PKXGIYXMUADIOF-UHFFFAOYSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368325246 919698553 /nfs/dbraw/zinc/69/85/53/919698553.db2.gz JPPJGKHZDRUBGU-MNOVXSKESA-N 1 1 323.401 -1.614 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(CC(=O)NC(C)C)C1 ZINC001368326258 919699049 /nfs/dbraw/zinc/69/90/49/919699049.db2.gz NWDQKRLVWAHOKC-UHFFFAOYSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001368358523 919701045 /nfs/dbraw/zinc/70/10/45/919701045.db2.gz JSHFAMJSGAILJW-DTORHVGOSA-N 1 1 322.325 -1.423 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)OC)C[C@H]2C1 ZINC001368358371 919702250 /nfs/dbraw/zinc/70/22/50/919702250.db2.gz RPCJKMUVUYPBPS-MXWKQRLJSA-N 1 1 312.370 -1.133 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001368349368 919702766 /nfs/dbraw/zinc/70/27/66/919702766.db2.gz ZMSUHBNKXMGTSY-DTORHVGOSA-N 1 1 322.329 -2.742 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnns3)C[C@H]2C1 ZINC001368358067 919702987 /nfs/dbraw/zinc/70/29/87/919702987.db2.gz QNRMZCKDMWVZFN-OCAPTIKFSA-N 1 1 324.366 -1.263 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001368347829 919703772 /nfs/dbraw/zinc/70/37/72/919703772.db2.gz YUIDSTIBSFTDHD-ONGXEEELSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCCN(CC(N)=O)C1 ZINC001368374067 919705913 /nfs/dbraw/zinc/70/59/13/919705913.db2.gz LVSRNWAWHFXEIL-CQSZACIVSA-N 1 1 309.370 -1.380 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCOC)C2)C1 ZINC001368384923 919708812 /nfs/dbraw/zinc/70/88/12/919708812.db2.gz UNCXNGNEQPFNAW-LBPRGKRZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCOC)C2)C1 ZINC001368384923 919708823 /nfs/dbraw/zinc/70/88/23/919708823.db2.gz UNCXNGNEQPFNAW-LBPRGKRZSA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368377575 919708947 /nfs/dbraw/zinc/70/89/47/919708947.db2.gz XNRGFTATFNBSBA-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001368380945 919709624 /nfs/dbraw/zinc/70/96/24/919709624.db2.gz QZQHVDVEVFBZGT-ZANVPECISA-N 1 1 314.342 -2.480 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001368388162 919709716 /nfs/dbraw/zinc/70/97/16/919709716.db2.gz QJEICZQYZZJUDF-SDDRHHMPSA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ncc[nH]2)C1 ZINC001368386625 919711495 /nfs/dbraw/zinc/71/14/95/919711495.db2.gz YGYKBDZKOBARRA-FZMZJTMJSA-N 1 1 312.370 -1.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CCN1CC(=O)NC(N)=O ZINC001368434146 919722824 /nfs/dbraw/zinc/72/28/24/919722824.db2.gz FDSBQXDTWXGIOK-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001368465025 919729315 /nfs/dbraw/zinc/72/93/15/919729315.db2.gz UUQJVYYNLVRHHB-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001368465025 919729324 /nfs/dbraw/zinc/72/93/24/919729324.db2.gz UUQJVYYNLVRHHB-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001368504811 919731721 /nfs/dbraw/zinc/73/17/21/919731721.db2.gz KQXRVIUONUKNJM-VIFPVBQESA-N 1 1 311.342 -1.698 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)CCNC(N)=O ZINC001368563778 919739149 /nfs/dbraw/zinc/73/91/49/919739149.db2.gz HUSJKOKVXWVOPQ-UHFFFAOYSA-N 1 1 301.391 -1.087 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001368553542 919740136 /nfs/dbraw/zinc/74/01/36/919740136.db2.gz MEDJNBZQLJHXMP-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CS(=O)(=O)NC ZINC001368568394 919744813 /nfs/dbraw/zinc/74/48/13/919744813.db2.gz PUXUVAFIDGSWIB-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001368598495 919747226 /nfs/dbraw/zinc/74/72/26/919747226.db2.gz BACOQSITTRKYJH-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO COCC(=O)N1CCC[C@](CO)([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368609863 919747334 /nfs/dbraw/zinc/74/73/34/919747334.db2.gz OXMKKXGWKWAPPU-ZDUSSCGKSA-N 1 1 313.358 -1.802 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368616365 919750317 /nfs/dbraw/zinc/75/03/17/919750317.db2.gz ALMGKKRHYBFALA-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001368651728 919755850 /nfs/dbraw/zinc/75/58/50/919755850.db2.gz RVKIGGLQBUAVFR-BDAKNGLRSA-N 1 1 311.346 -1.497 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCOC)n1 ZINC001368674102 919758766 /nfs/dbraw/zinc/75/87/66/919758766.db2.gz OSTHCRMJTYSRHZ-UHFFFAOYSA-N 1 1 311.342 -1.330 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001368664212 919759073 /nfs/dbraw/zinc/75/90/73/919759073.db2.gz GOZDJUQCGJYSDG-KOLCDFICSA-N 1 1 309.374 -1.190 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1C[C@H](O)COC ZINC001368690246 919761254 /nfs/dbraw/zinc/76/12/54/919761254.db2.gz XTGYHTDEGUOHLB-SDDRHHMPSA-N 1 1 312.374 -1.351 20 0 DAADMO Cn1ccc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(N)=O)C2)n1 ZINC001368733051 919766315 /nfs/dbraw/zinc/76/63/15/919766315.db2.gz USRCOBIZNAHOKM-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1ccc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(N)=O)C2)n1 ZINC001368733051 919766325 /nfs/dbraw/zinc/76/63/25/919766325.db2.gz USRCOBIZNAHOKM-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001368722963 919767280 /nfs/dbraw/zinc/76/72/80/919767280.db2.gz UUURGPDTQUFSKB-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001368729612 919767374 /nfs/dbraw/zinc/76/73/74/919767374.db2.gz CGWFEOGQDGDEFS-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001368729612 919767386 /nfs/dbraw/zinc/76/73/86/919767386.db2.gz CGWFEOGQDGDEFS-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]2C1 ZINC001368729567 919767533 /nfs/dbraw/zinc/76/75/33/919767533.db2.gz JISUDQAQGMLRAC-AXFHLTTASA-N 1 1 311.386 -1.431 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1cnccn1 ZINC001368749841 919769405 /nfs/dbraw/zinc/76/94/05/919769405.db2.gz ILGVKZNCSKUJGI-LBPRGKRZSA-N 1 1 319.365 -1.078 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CCn2ccnn2)CC1 ZINC001368761166 919769548 /nfs/dbraw/zinc/76/95/48/919769548.db2.gz JDISTCJLSQXZAZ-NSHDSACASA-N 1 1 324.385 -1.515 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)Cn2cccn2)CC1 ZINC001368755764 919769644 /nfs/dbraw/zinc/76/96/44/919769644.db2.gz MJVRNUDDFIVLHY-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1C ZINC001368766406 919770424 /nfs/dbraw/zinc/77/04/24/919770424.db2.gz GASGFRBXMLBIPX-MNOVXSKESA-N 1 1 309.374 -1.214 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1cncnc1 ZINC001368763385 919771187 /nfs/dbraw/zinc/77/11/87/919771187.db2.gz SEZTXVBLMBHFFN-GFCCVEGCSA-N 1 1 319.365 -1.078 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C ZINC001368767667 919771262 /nfs/dbraw/zinc/77/12/62/919771262.db2.gz MCJJUJMQTZIMCA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C ZINC001368767667 919771272 /nfs/dbraw/zinc/77/12/72/919771272.db2.gz MCJJUJMQTZIMCA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cccn2)CC1 ZINC001368757366 919771506 /nfs/dbraw/zinc/77/15/06/919771506.db2.gz SOCBMPFQLSRHAI-GFCCVEGCSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001368767472 919771626 /nfs/dbraw/zinc/77/16/26/919771626.db2.gz KNTNYQKMPXKCAT-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001368767472 919771632 /nfs/dbraw/zinc/77/16/32/919771632.db2.gz KNTNYQKMPXKCAT-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1ncc(C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)n1 ZINC001368769637 919773017 /nfs/dbraw/zinc/77/30/17/919773017.db2.gz HWZLGHXPBYBGDU-NSHDSACASA-N 1 1 322.369 -1.740 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H]1C ZINC001368791704 919774041 /nfs/dbraw/zinc/77/40/41/919774041.db2.gz OXJYBHCELFNIOP-AXFHLTTASA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797593 919774423 /nfs/dbraw/zinc/77/44/23/919774423.db2.gz ORYWDJYVZJPCBS-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797593 919774436 /nfs/dbraw/zinc/77/44/36/919774436.db2.gz ORYWDJYVZJPCBS-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001368772885 919774634 /nfs/dbraw/zinc/77/46/34/919774634.db2.gz ZQCOJLIZQKXIHR-UHFFFAOYSA-N 1 1 324.385 -1.194 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368812478 919777433 /nfs/dbraw/zinc/77/74/33/919777433.db2.gz VHNOHRWXUANDAR-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001368929688 919785051 /nfs/dbraw/zinc/78/50/51/919785051.db2.gz AMUFAKOEIKYWCL-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001368929688 919785069 /nfs/dbraw/zinc/78/50/69/919785069.db2.gz AMUFAKOEIKYWCL-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001368936763 919785766 /nfs/dbraw/zinc/78/57/66/919785766.db2.gz YWWYOKRGUYKEGV-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001368928653 919786120 /nfs/dbraw/zinc/78/61/20/919786120.db2.gz FSEKNDDQIVDURV-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368935921 919787721 /nfs/dbraw/zinc/78/77/21/919787721.db2.gz ZGVKEHFVPWTJEM-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368935921 919787733 /nfs/dbraw/zinc/78/77/33/919787733.db2.gz ZGVKEHFVPWTJEM-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001368953798 919788823 /nfs/dbraw/zinc/78/88/23/919788823.db2.gz FSSFYARXOWNDQZ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001368953798 919788834 /nfs/dbraw/zinc/78/88/34/919788834.db2.gz FSSFYARXOWNDQZ-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001368938636 919788949 /nfs/dbraw/zinc/78/89/49/919788949.db2.gz PDXCMDYLWGLKGA-NEPJUHHUSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@@H+](C)CCCO ZINC001368964220 919789675 /nfs/dbraw/zinc/78/96/75/919789675.db2.gz UHEUIORPBOITFM-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001368958078 919791776 /nfs/dbraw/zinc/79/17/76/919791776.db2.gz GSKGQAWKQNHJLY-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001368958078 919791793 /nfs/dbraw/zinc/79/17/93/919791793.db2.gz GSKGQAWKQNHJLY-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970581 919792303 /nfs/dbraw/zinc/79/23/03/919792303.db2.gz JWRNCKBCUXYDTB-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970581 919792314 /nfs/dbraw/zinc/79/23/14/919792314.db2.gz JWRNCKBCUXYDTB-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO COc1nc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001368974413 919792667 /nfs/dbraw/zinc/79/26/67/919792667.db2.gz WCCBBZRCUZPKNU-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001368974413 919792681 /nfs/dbraw/zinc/79/26/81/919792681.db2.gz WCCBBZRCUZPKNU-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001368937514 919792708 /nfs/dbraw/zinc/79/27/08/919792708.db2.gz CAPCLYYEFNOBTK-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC1CC1 ZINC001368986286 919794588 /nfs/dbraw/zinc/79/45/88/919794588.db2.gz OKAAVLDYFVBDNB-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC1CC1 ZINC001368986286 919794606 /nfs/dbraw/zinc/79/46/06/919794606.db2.gz OKAAVLDYFVBDNB-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC1CC1 ZINC001368986283 919795239 /nfs/dbraw/zinc/79/52/39/919795239.db2.gz OKAAVLDYFVBDNB-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC1CC1 ZINC001368986283 919795250 /nfs/dbraw/zinc/79/52/50/919795250.db2.gz OKAAVLDYFVBDNB-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CC(=O)N2CCC2)C1 ZINC001369014787 919795764 /nfs/dbraw/zinc/79/57/64/919795764.db2.gz FFQZDPIQFDYVGS-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001368994886 919796217 /nfs/dbraw/zinc/79/62/17/919796217.db2.gz BBICOVDTDSYRNG-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001368989633 919796519 /nfs/dbraw/zinc/79/65/19/919796519.db2.gz XRUKXOAVZAMNFJ-LLVKDONJSA-N 1 1 322.369 -1.026 20 0 DAADMO Cn1nnc(CN2CC(CCO)(NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001369017631 919799040 /nfs/dbraw/zinc/79/90/40/919799040.db2.gz ZDLRYTBAHVGIBR-NSHDSACASA-N 1 1 323.401 -1.643 20 0 DAADMO Cn1nnnc1CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001369016208 919799870 /nfs/dbraw/zinc/79/98/70/919799870.db2.gz PUIWUQVZWFTEFM-NSHDSACASA-N 1 1 323.401 -1.643 20 0 DAADMO C[C@H](NC(=O)CCn1ccnn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001369071523 919808540 /nfs/dbraw/zinc/80/85/40/919808540.db2.gz DEGXYSUTPDDBNL-CMPLNLGQSA-N 1 1 306.370 -1.007 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001369085287 919811395 /nfs/dbraw/zinc/81/13/95/919811395.db2.gz FDHJTPAIXHRTAJ-MWLCHTKSSA-N 1 1 311.386 -1.417 20 0 DAADMO COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)C2CS(=O)(=O)C2)C1 ZINC001369072573 919811697 /nfs/dbraw/zinc/81/16/97/919811697.db2.gz IZABUYDGSFXCHN-JOYOIKCWSA-N 1 1 320.411 -1.525 20 0 DAADMO C[C@@H](NC(=O)CNC(=O)C1CC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001369082631 919812467 /nfs/dbraw/zinc/81/24/67/919812467.db2.gz VAGUMOIDSMUITN-BXKDBHETSA-N 1 1 308.382 -1.162 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001369085281 919813406 /nfs/dbraw/zinc/81/34/06/919813406.db2.gz FDHJTPAIXHRTAJ-KOLCDFICSA-N 1 1 311.386 -1.417 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001369112141 919814387 /nfs/dbraw/zinc/81/43/87/919814387.db2.gz CMWFHYIEPAAJRF-XYYAHUGASA-N 1 1 310.398 -1.105 20 0 DAADMO CO[C@H](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001369115972 919814905 /nfs/dbraw/zinc/81/49/05/919814905.db2.gz JAPRPECAMOSJNN-DBIOUOCHSA-N 1 1 312.370 -1.100 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001369110553 919814955 /nfs/dbraw/zinc/81/49/55/919814955.db2.gz AHAMUICQXCUOKB-OWUUHHOZSA-N 1 1 320.353 -1.477 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001369115048 919815469 /nfs/dbraw/zinc/81/54/69/919815469.db2.gz HGBHATQOUVSFPT-MMWGEVLESA-N 1 1 312.370 -1.100 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CCCS(N)(=O)=O ZINC001369116645 919817081 /nfs/dbraw/zinc/81/70/81/919817081.db2.gz NXEHXLMFKQUFDT-JTQLQIEISA-N 1 1 307.416 -1.126 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001369119935 919817472 /nfs/dbraw/zinc/81/74/72/919817472.db2.gz FGUKDMORWQMHSV-FIQHERPVSA-N 1 1 322.365 -1.376 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001369131053 919817569 /nfs/dbraw/zinc/81/75/69/919817569.db2.gz GVGVVIWPGWCAQT-CNDDSTCGSA-N 1 1 321.385 -1.508 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001369130929 919817709 /nfs/dbraw/zinc/81/77/09/919817709.db2.gz VUJQYOMFGMZWRH-XWLWVQCSSA-N 1 1 322.369 -2.250 20 0 DAADMO CO[C@@H](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001369115981 919818483 /nfs/dbraw/zinc/81/84/83/919818483.db2.gz JAPRPECAMOSJNN-XWLWVQCSSA-N 1 1 312.370 -1.100 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001369120324 919819091 /nfs/dbraw/zinc/81/90/91/919819091.db2.gz OXRCEFGBORRBSY-JZRPKSSGSA-N 1 1 311.382 -1.434 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001369137019 919819744 /nfs/dbraw/zinc/81/97/44/919819744.db2.gz ALVDBXJNFCEAAS-RTCCRHLQSA-N 1 1 311.386 -1.573 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001369135667 919820261 /nfs/dbraw/zinc/82/02/61/919820261.db2.gz RQLAVCNBDIYUFG-CNDDSTCGSA-N 1 1 321.385 -1.462 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001369135667 919820267 /nfs/dbraw/zinc/82/02/67/919820267.db2.gz RQLAVCNBDIYUFG-CNDDSTCGSA-N 1 1 321.385 -1.462 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369136521 919821315 /nfs/dbraw/zinc/82/13/15/919821315.db2.gz GKVSBGMRNCZAPD-CNDDSTCGSA-N 1 1 324.381 -1.395 20 0 DAADMO COCCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001369150864 919823817 /nfs/dbraw/zinc/82/38/17/919823817.db2.gz VMWSSGARMUMJIH-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001369150651 919823941 /nfs/dbraw/zinc/82/39/41/919823941.db2.gz CDMPJTMASAADLB-WISYIIOYSA-N 1 1 323.397 -1.383 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001369160862 919824249 /nfs/dbraw/zinc/82/42/49/919824249.db2.gz VHQYCQSLWFIAGW-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001369160862 919824263 /nfs/dbraw/zinc/82/42/63/919824263.db2.gz VHQYCQSLWFIAGW-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001369153196 919824872 /nfs/dbraw/zinc/82/48/72/919824872.db2.gz ZEDYLPYQBJSUIH-ZDEQEGDKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001369185672 919826557 /nfs/dbraw/zinc/82/65/57/919826557.db2.gz QPQQTKVGKCLBQV-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001369176478 919828191 /nfs/dbraw/zinc/82/81/91/919828191.db2.gz BYMJNZYBTULZCJ-JHJVBQTASA-N 1 1 312.414 -1.076 20 0 DAADMO C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C)NC(N)=O ZINC001369234365 919830092 /nfs/dbraw/zinc/83/00/92/919830092.db2.gz BTCNKPUDPIJVTI-RKDXNWHRSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C)NC(N)=O ZINC001369234362 919832081 /nfs/dbraw/zinc/83/20/81/919832081.db2.gz BTCNKPUDPIJVTI-BDAKNGLRSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1nnnn1C ZINC001369252694 919833456 /nfs/dbraw/zinc/83/34/56/919833456.db2.gz FNGIAPMQZHCMPW-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1nnnn1C ZINC001369252690 919834731 /nfs/dbraw/zinc/83/47/31/919834731.db2.gz FNGIAPMQZHCMPW-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001369265479 919836041 /nfs/dbraw/zinc/83/60/41/919836041.db2.gz VBVFDRBQLZCJPV-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO CC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001369291680 919838075 /nfs/dbraw/zinc/83/80/75/919838075.db2.gz CNTJGCAVEGLGGE-SNVBAGLBSA-N 1 1 308.338 -1.189 20 0 DAADMO C[C@H](CN(C)C(=O)CCNC(N)=O)[NH2+][C@H](C)c1nnnn1C ZINC001369284996 919838185 /nfs/dbraw/zinc/83/81/85/919838185.db2.gz BPXFVXZXUBYAKD-RKDXNWHRSA-N 1 1 312.378 -1.234 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CNC(=O)C2CC2)n1 ZINC001369303355 919838751 /nfs/dbraw/zinc/83/87/51/919838751.db2.gz DTVOLQKHZDHWNZ-LBPRGKRZSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1COCCO1 ZINC001369305582 919842710 /nfs/dbraw/zinc/84/27/10/919842710.db2.gz IOFXIIJNGBLFHW-TZMCWYRMSA-N 1 1 324.381 -1.189 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C ZINC001369312146 919846393 /nfs/dbraw/zinc/84/63/93/919846393.db2.gz VNNZMPZGAVCHGW-SECBINFHSA-N 1 1 300.315 -1.094 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2nncs2)C1 ZINC001369314082 919846511 /nfs/dbraw/zinc/84/65/11/919846511.db2.gz QFFOFUHKTJDYQA-ZJUUUORDSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2nncs2)C1 ZINC001369314082 919846524 /nfs/dbraw/zinc/84/65/24/919846524.db2.gz QFFOFUHKTJDYQA-ZJUUUORDSA-N 1 1 315.399 -1.565 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001369316110 919850763 /nfs/dbraw/zinc/85/07/63/919850763.db2.gz UKBZFZDOGYFBKA-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1C ZINC001369316472 919851041 /nfs/dbraw/zinc/85/10/41/919851041.db2.gz ZFEILXUDMCFFNK-NWDGAFQWSA-N 1 1 309.370 -1.426 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)n1cncn1 ZINC001369324137 919858312 /nfs/dbraw/zinc/85/83/12/919858312.db2.gz RZKOFJGGOAYZPR-WDEREUQCSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001369322502 919858531 /nfs/dbraw/zinc/85/85/31/919858531.db2.gz MRIUJLWMVJDTHZ-GXSJLCMTSA-N 1 1 312.326 -1.033 20 0 DAADMO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)NC(N)=O ZINC001369331067 919865024 /nfs/dbraw/zinc/86/50/24/919865024.db2.gz DWZNQYDXHUZYEJ-ZJUUUORDSA-N 1 1 312.374 -1.566 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC001369330695 919866007 /nfs/dbraw/zinc/86/60/07/919866007.db2.gz XWANETHCAWKWRO-UONOGXRCSA-N 1 1 324.425 -1.373 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001369334021 919870087 /nfs/dbraw/zinc/87/00/87/919870087.db2.gz MWFKQUKUJWZSCG-JTQLQIEISA-N 1 1 322.373 -1.087 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001369338889 919874135 /nfs/dbraw/zinc/87/41/35/919874135.db2.gz NDLNXFMXIINLMX-SECBINFHSA-N 1 1 319.387 -2.184 20 0 DAADMO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001369342749 919877992 /nfs/dbraw/zinc/87/79/92/919877992.db2.gz SDODJYBKJZZHIR-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001369342756 919879619 /nfs/dbraw/zinc/87/96/19/919879619.db2.gz SDODJYBKJZZHIR-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369342419 919880469 /nfs/dbraw/zinc/88/04/69/919880469.db2.gz TXLPOSGFJRRSME-STQMWFEESA-N 1 1 310.402 -1.171 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc(C2CC2)no1)[C@@H]1CNC(=O)N1 ZINC001369341987 919881070 /nfs/dbraw/zinc/88/10/70/919881070.db2.gz TZUYSPLJBQJIFR-SKDRFNHKSA-N 1 1 323.353 -1.200 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001369346516 919886333 /nfs/dbraw/zinc/88/63/33/919886333.db2.gz CKHMGKBIPGWQCK-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001369360351 919893873 /nfs/dbraw/zinc/89/38/73/919893873.db2.gz GRZVVHCWOUVPKE-MWLCHTKSSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1[nH]c(CN[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001369356857 919896488 /nfs/dbraw/zinc/89/64/88/919896488.db2.gz XKDXPMWSTHCDJO-VHSXEESVSA-N 1 1 312.374 -2.231 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369357279 919896536 /nfs/dbraw/zinc/89/65/36/919896536.db2.gz AHVJCMYFFLULBX-AAEUAGOBSA-N 1 1 323.397 -1.065 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001369361082 919898498 /nfs/dbraw/zinc/89/84/98/919898498.db2.gz JVKRSOHTPNFHFV-LLVKDONJSA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@]1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCCS1(=O)=O ZINC001369361616 919899517 /nfs/dbraw/zinc/89/95/17/919899517.db2.gz LFFRLUBCJUTSCM-GZMMTYOYSA-N 1 1 307.372 -2.494 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369365981 919904069 /nfs/dbraw/zinc/90/40/69/919904069.db2.gz PPCMVEYMFBYLRW-NWDGAFQWSA-N 1 1 300.403 -1.469 20 0 DAADMO CS(=O)(=O)C1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCC1 ZINC001369373230 919905442 /nfs/dbraw/zinc/90/54/42/919905442.db2.gz OQTNGMCFJHWWMF-MRVPVSSYSA-N 1 1 307.372 -2.494 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H](C)C(=O)N(C)C ZINC001369370774 919906053 /nfs/dbraw/zinc/90/60/53/919906053.db2.gz FIJCZCZESPBWAU-RYUDHWBXSA-N 1 1 302.419 -1.130 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H](C)C(=O)N(C)C ZINC001369370774 919906070 /nfs/dbraw/zinc/90/60/70/919906070.db2.gz FIJCZCZESPBWAU-RYUDHWBXSA-N 1 1 302.419 -1.130 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001369369993 919908452 /nfs/dbraw/zinc/90/84/52/919908452.db2.gz DHHQRQSMNOJJNL-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001369373393 919909337 /nfs/dbraw/zinc/90/93/37/919909337.db2.gz QTNZXMFWLOBOND-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369382555 919912846 /nfs/dbraw/zinc/91/28/46/919912846.db2.gz RYCBWSPCTIIFGO-GHMZBOCLSA-N 1 1 324.385 -1.670 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381496 919913595 /nfs/dbraw/zinc/91/35/95/919913595.db2.gz NTNJONSFTFZIGA-RYUDHWBXSA-N 1 1 321.443 -1.561 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381496 919913601 /nfs/dbraw/zinc/91/36/01/919913601.db2.gz NTNJONSFTFZIGA-RYUDHWBXSA-N 1 1 321.443 -1.561 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381497 919913621 /nfs/dbraw/zinc/91/36/21/919913621.db2.gz NTNJONSFTFZIGA-VXGBXAGGSA-N 1 1 321.443 -1.561 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCS(C)(=O)=O)C1 ZINC001369381497 919913630 /nfs/dbraw/zinc/91/36/30/919913630.db2.gz NTNJONSFTFZIGA-VXGBXAGGSA-N 1 1 321.443 -1.561 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001369378183 919913980 /nfs/dbraw/zinc/91/39/80/919913980.db2.gz YATBUGBYQSNFBM-LLVKDONJSA-N 1 1 323.353 -1.099 20 0 DAADMO CN(CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)S(C)(=O)=O ZINC001369393858 919917214 /nfs/dbraw/zinc/91/72/14/919917214.db2.gz DDAARTCDSJNLRO-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001369384545 919918793 /nfs/dbraw/zinc/91/87/93/919918793.db2.gz WQPVVPQEFQOWRN-JTQLQIEISA-N 1 1 305.342 -1.287 20 0 DAADMO Cn1cnnc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369382912 919919790 /nfs/dbraw/zinc/91/97/90/919919790.db2.gz PRVSRUSCOYZEKK-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CCO ZINC001369421939 919921784 /nfs/dbraw/zinc/92/17/84/919921784.db2.gz DMXUJLIAEUCCQS-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)c1 ZINC001369445119 919925010 /nfs/dbraw/zinc/92/50/10/919925010.db2.gz PMEFKTJJLTVXKS-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C(C)(C)C1 ZINC001369432396 919927402 /nfs/dbraw/zinc/92/74/02/919927402.db2.gz OMQVHPNBODWLAD-SNVBAGLBSA-N 1 1 309.374 -1.327 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)N1 ZINC001369446068 919928682 /nfs/dbraw/zinc/92/86/82/919928682.db2.gz AHQBZOPGDZIBNN-GHMZBOCLSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001369450821 919928706 /nfs/dbraw/zinc/92/87/06/919928706.db2.gz CJFLIAPUDBSMSN-GHMZBOCLSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001369450836 919929965 /nfs/dbraw/zinc/92/99/65/919929965.db2.gz CJFLIAPUDBSMSN-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnccn1)c1nnnn1C ZINC001369448165 919930566 /nfs/dbraw/zinc/93/05/66/919930566.db2.gz ACHPJMKAHOKLPR-ZJUUUORDSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cc[nH]n1 ZINC001369449057 919931378 /nfs/dbraw/zinc/93/13/78/919931378.db2.gz JBWFDUNOYYYEST-JTQLQIEISA-N 1 1 308.346 -1.915 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)[nH]1 ZINC001369454057 919933063 /nfs/dbraw/zinc/93/30/63/919933063.db2.gz WCQQXWNHOLZWES-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1COCCO1 ZINC001369454122 919933338 /nfs/dbraw/zinc/93/33/38/919933338.db2.gz XHOFSKMJMWNOOU-UWVGGRQHSA-N 1 1 316.383 -1.138 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N2CCC2)[nH]1 ZINC001369455196 919934072 /nfs/dbraw/zinc/93/40/72/919934072.db2.gz ZXZAHKGJIJUSPF-LLVKDONJSA-N 1 1 309.370 -1.027 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1COCCO1 ZINC001369454125 919934133 /nfs/dbraw/zinc/93/41/33/919934133.db2.gz XHOFSKMJMWNOOU-VHSXEESVSA-N 1 1 316.383 -1.138 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1COCCO1 ZINC001369454971 919934255 /nfs/dbraw/zinc/93/42/55/919934255.db2.gz ZFBHOBGYBSCTQS-NEPJUHHUSA-N 1 1 313.358 -1.861 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1COCCO1 ZINC001369454129 919935032 /nfs/dbraw/zinc/93/50/32/919935032.db2.gz XHOFSKMJMWNOOU-ZJUUUORDSA-N 1 1 316.383 -1.138 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001369454100 919935060 /nfs/dbraw/zinc/93/50/60/919935060.db2.gz XCIPZULCMCQANT-NSHDSACASA-N 1 1 312.374 -1.500 20 0 DAADMO Cc1cnc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001369456829 919936570 /nfs/dbraw/zinc/93/65/70/919936570.db2.gz VPLBTFMSMWRBDR-SNVBAGLBSA-N 1 1 320.357 -1.469 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)COC(C)(C)C ZINC001369457199 919937239 /nfs/dbraw/zinc/93/72/39/919937239.db2.gz ARBLCJVBWYJBFU-JTQLQIEISA-N 1 1 314.390 -1.066 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)COC(C)(C)C ZINC001369457201 919939320 /nfs/dbraw/zinc/93/93/20/919939320.db2.gz ARBLCJVBWYJBFU-SNVBAGLBSA-N 1 1 314.390 -1.066 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1ccn(C)n1 ZINC001369463235 919940436 /nfs/dbraw/zinc/94/04/36/919940436.db2.gz ATTMLKJZRXAXKP-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCCO1 ZINC001369462593 919940661 /nfs/dbraw/zinc/94/06/61/919940661.db2.gz RWMDKBBNISONIO-MNOVXSKESA-N 1 1 312.374 -1.312 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1ccn(C)n1 ZINC001369463233 919940782 /nfs/dbraw/zinc/94/07/82/919940782.db2.gz ATTMLKJZRXAXKP-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccns1 ZINC001369463213 919941509 /nfs/dbraw/zinc/94/15/09/919941509.db2.gz MOCXRZJWWJATSY-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ncn(C)n1 ZINC001369461445 919942082 /nfs/dbraw/zinc/94/20/82/919942082.db2.gz PSCBVGIAAGQSDM-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1ncc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001369471993 919948409 /nfs/dbraw/zinc/94/84/09/919948409.db2.gz LCBUEECYDKABGA-SNVBAGLBSA-N 1 1 323.357 -1.342 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccnnc1 ZINC001369474196 919950280 /nfs/dbraw/zinc/95/02/80/919950280.db2.gz IJHNGDRZWZPSSZ-JTQLQIEISA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCCC(=O)N1 ZINC001369477474 919954281 /nfs/dbraw/zinc/95/42/81/919954281.db2.gz JHADBSJRROGZEJ-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1C ZINC001369484329 919956349 /nfs/dbraw/zinc/95/63/49/919956349.db2.gz SWKNHDIQLUTAJY-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369484317 919959044 /nfs/dbraw/zinc/95/90/44/919959044.db2.gz SWKNHDIQLUTAJY-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001369488887 919959879 /nfs/dbraw/zinc/95/98/79/919959879.db2.gz KNDVLIMFRLGIAZ-ZJUUUORDSA-N 1 1 302.375 -1.008 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH]cn1 ZINC001369489973 919960547 /nfs/dbraw/zinc/96/05/47/919960547.db2.gz YMRYKLODOLDLHO-GHMZBOCLSA-N 1 1 323.397 -1.015 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cccn(C)c1=O ZINC001369489426 919962938 /nfs/dbraw/zinc/96/29/38/919962938.db2.gz XBSDVKRZGKSDNP-LLVKDONJSA-N 1 1 321.337 -1.009 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001369497073 919965392 /nfs/dbraw/zinc/96/53/92/919965392.db2.gz OLYFXIXULIHSTC-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498429 919966284 /nfs/dbraw/zinc/96/62/84/919966284.db2.gz YEHIBVYOQJKBBU-WDEREUQCSA-N 1 1 317.386 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498429 919966298 /nfs/dbraw/zinc/96/62/98/919966298.db2.gz YEHIBVYOQJKBBU-WDEREUQCSA-N 1 1 317.386 -1.236 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(C)O ZINC001369492917 919967271 /nfs/dbraw/zinc/96/72/71/919967271.db2.gz GEQWDOMIERCBNF-VIFPVBQESA-N 1 1 318.374 -1.907 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(C)O ZINC001369492917 919967285 /nfs/dbraw/zinc/96/72/85/919967285.db2.gz GEQWDOMIERCBNF-VIFPVBQESA-N 1 1 318.374 -1.907 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)c1nnn(C)n1 ZINC001369504275 919969632 /nfs/dbraw/zinc/96/96/32/919969632.db2.gz NHVBASJXMAKFHN-NSHDSACASA-N 1 1 322.373 -1.492 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)c1nnn(C)n1 ZINC001369504275 919969641 /nfs/dbraw/zinc/96/96/41/919969641.db2.gz NHVBASJXMAKFHN-NSHDSACASA-N 1 1 322.373 -1.492 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369500900 919970555 /nfs/dbraw/zinc/97/05/55/919970555.db2.gz GRISIDRQDHZVPF-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503053 919970883 /nfs/dbraw/zinc/97/08/83/919970883.db2.gz FNOFHFDDCMDXQR-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503053 919970894 /nfs/dbraw/zinc/97/08/94/919970894.db2.gz FNOFHFDDCMDXQR-ZYHUDNBSSA-N 1 1 311.386 -1.413 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001369506468 919971094 /nfs/dbraw/zinc/97/10/94/919971094.db2.gz LMAUCBQZJBGHPS-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001369507334 919971386 /nfs/dbraw/zinc/97/13/86/919971386.db2.gz MOHFBKXJTSGTIB-VIFPVBQESA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001369507334 919971399 /nfs/dbraw/zinc/97/13/99/919971399.db2.gz MOHFBKXJTSGTIB-VIFPVBQESA-N 1 1 300.359 -1.268 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn2c1CCC2 ZINC001369503248 919971660 /nfs/dbraw/zinc/97/16/60/919971660.db2.gz DXABKINVPJERJY-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn2c1CCC2 ZINC001369503248 919971678 /nfs/dbraw/zinc/97/16/78/919971678.db2.gz DXABKINVPJERJY-NSHDSACASA-N 1 1 323.397 -1.060 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001369500097 919972659 /nfs/dbraw/zinc/97/26/59/919972659.db2.gz TUGIENCAYSQXRW-GHMZBOCLSA-N 1 1 302.375 -2.447 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001369500097 919972671 /nfs/dbraw/zinc/97/26/71/919972671.db2.gz TUGIENCAYSQXRW-GHMZBOCLSA-N 1 1 302.375 -2.447 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505182 919973574 /nfs/dbraw/zinc/97/35/74/919973574.db2.gz HPUNDGHOXCBTJN-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCS(C)(=O)=O ZINC001369505182 919973582 /nfs/dbraw/zinc/97/35/82/919973582.db2.gz HPUNDGHOXCBTJN-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369505971 919974200 /nfs/dbraw/zinc/97/42/00/919974200.db2.gz OOQRQVTXKWIAPK-LBPRGKRZSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369505971 919974211 /nfs/dbraw/zinc/97/42/11/919974211.db2.gz OOQRQVTXKWIAPK-LBPRGKRZSA-N 1 1 309.370 -1.023 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369512344 919975663 /nfs/dbraw/zinc/97/56/63/919975663.db2.gz KDHNYSXCMGXXLN-CHWSQXEVSA-N 1 1 314.430 -1.175 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001369511902 919975922 /nfs/dbraw/zinc/97/59/22/919975922.db2.gz WDEKVKDVMMVKJA-MNOVXSKESA-N 1 1 304.391 -1.563 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001369511906 919975981 /nfs/dbraw/zinc/97/59/81/919975981.db2.gz WDEKVKDVMMVKJA-WDEREUQCSA-N 1 1 304.391 -1.563 20 0 DAADMO COc1cncc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001369513490 919976053 /nfs/dbraw/zinc/97/60/53/919976053.db2.gz BZOQFUGTSZPEBI-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001369513490 919976066 /nfs/dbraw/zinc/97/60/66/919976066.db2.gz BZOQFUGTSZPEBI-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001369510932 919976095 /nfs/dbraw/zinc/97/60/95/919976095.db2.gz UPQCXLHHRXBUHB-WCBMZHEXSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001369510932 919976106 /nfs/dbraw/zinc/97/61/06/919976106.db2.gz UPQCXLHHRXBUHB-WCBMZHEXSA-N 1 1 312.374 -1.719 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001369510887 919976537 /nfs/dbraw/zinc/97/65/37/919976537.db2.gz RYJGVSAYFOVCAY-VIFPVBQESA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001369510887 919976550 /nfs/dbraw/zinc/97/65/50/919976550.db2.gz RYJGVSAYFOVCAY-VIFPVBQESA-N 1 1 321.341 -2.026 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001369513888 919976991 /nfs/dbraw/zinc/97/69/91/919976991.db2.gz KKOOLGYEDWJGEA-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001369513888 919977003 /nfs/dbraw/zinc/97/70/03/919977003.db2.gz KKOOLGYEDWJGEA-WDEREUQCSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001369509722 919977846 /nfs/dbraw/zinc/97/78/46/919977846.db2.gz NZFMYORFBFBEHL-FZMZJTMJSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001369509722 919977856 /nfs/dbraw/zinc/97/78/56/919977856.db2.gz NZFMYORFBFBEHL-FZMZJTMJSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)Cn1ncn(C)c1=O ZINC001369511379 919977919 /nfs/dbraw/zinc/97/79/19/919977919.db2.gz RBHZHPPTAKQNQR-GFCCVEGCSA-N 1 1 311.386 -1.257 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1csnn1 ZINC001369507981 919978044 /nfs/dbraw/zinc/97/80/44/919978044.db2.gz XBFYGNQSJGGYOI-SCZZXKLOSA-N 1 1 313.383 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cn1ncn(C)c1=O ZINC001369511382 919978323 /nfs/dbraw/zinc/97/83/23/919978323.db2.gz RBHZHPPTAKQNQR-LBPRGKRZSA-N 1 1 311.386 -1.257 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001369511899 919978757 /nfs/dbraw/zinc/97/87/57/919978757.db2.gz WDEKVKDVMMVKJA-GHMZBOCLSA-N 1 1 304.391 -1.563 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC001369511725 919978787 /nfs/dbraw/zinc/97/87/87/919978787.db2.gz VGUHNBWGLLZZRX-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369512383 919978816 /nfs/dbraw/zinc/97/88/16/919978816.db2.gz BGVFWCXGVVTAQF-WDEREUQCSA-N 1 1 315.374 -1.813 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)[nH]1 ZINC001369510820 919979487 /nfs/dbraw/zinc/97/94/87/919979487.db2.gz UFUFQKMFRMIKFR-GHMZBOCLSA-N 1 1 324.385 -1.705 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc2ncccn2n1 ZINC001369520814 919980498 /nfs/dbraw/zinc/98/04/98/919980498.db2.gz VZNRBIYJFSHTCV-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc2ncccn2n1 ZINC001369520814 919980509 /nfs/dbraw/zinc/98/05/09/919980509.db2.gz VZNRBIYJFSHTCV-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc2ncccn2n1 ZINC001369520815 919980535 /nfs/dbraw/zinc/98/05/35/919980535.db2.gz VZNRBIYJFSHTCV-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc2ncccn2n1 ZINC001369520815 919980555 /nfs/dbraw/zinc/98/05/55/919980555.db2.gz VZNRBIYJFSHTCV-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CNS(=O)(=O)CC(=O)N(CC[N@H+](C)[C@H](C)C(N)=O)C(C)C ZINC001369533403 919983652 /nfs/dbraw/zinc/98/36/52/919983652.db2.gz VMCMYBDPEZOGLQ-SNVBAGLBSA-N 1 1 322.431 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)N(CC[N@@H+](C)[C@H](C)C(N)=O)C(C)C ZINC001369533403 919983658 /nfs/dbraw/zinc/98/36/58/919983658.db2.gz VMCMYBDPEZOGLQ-SNVBAGLBSA-N 1 1 322.431 -1.422 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c(=O)c1 ZINC001369515311 919983730 /nfs/dbraw/zinc/98/37/30/919983730.db2.gz DXDMVYSFCGGHCD-LBPRGKRZSA-N 1 1 324.381 -1.607 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c(=O)c1 ZINC001369515311 919983743 /nfs/dbraw/zinc/98/37/43/919983743.db2.gz DXDMVYSFCGGHCD-LBPRGKRZSA-N 1 1 324.381 -1.607 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001369515544 919984107 /nfs/dbraw/zinc/98/41/07/919984107.db2.gz JBMSCTCSUIHYCR-NXEZZACHSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001369515544 919984124 /nfs/dbraw/zinc/98/41/24/919984124.db2.gz JBMSCTCSUIHYCR-NXEZZACHSA-N 1 1 312.374 -1.464 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)[C@@H]1CCNC1=O ZINC001369556085 919985329 /nfs/dbraw/zinc/98/53/29/919985329.db2.gz YISFUNVBILBOIP-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)[C@@H]1CCNC1=O ZINC001369556085 919985346 /nfs/dbraw/zinc/98/53/46/919985346.db2.gz YISFUNVBILBOIP-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C(C)(C)C ZINC001369566073 919985962 /nfs/dbraw/zinc/98/59/62/919985962.db2.gz WCTDDTQLKWMBSA-BDAKNGLRSA-N 1 1 324.389 -1.488 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(C)(C)C ZINC001369566075 919986205 /nfs/dbraw/zinc/98/62/05/919986205.db2.gz WCTDDTQLKWMBSA-IUCAKERBSA-N 1 1 324.389 -1.488 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)NC(N)=O)[C@@H]1CCNC1=O ZINC001369553714 919986726 /nfs/dbraw/zinc/98/67/26/919986726.db2.gz ZIHZTULJRBUASO-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)[C@@H]1CCNC1=O ZINC001369553714 919986731 /nfs/dbraw/zinc/98/67/31/919986731.db2.gz ZIHZTULJRBUASO-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369798555 920000779 /nfs/dbraw/zinc/00/07/79/920000779.db2.gz HWTCPBQFZWXJPQ-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816874 920002599 /nfs/dbraw/zinc/00/25/99/920002599.db2.gz SJLHWNMRQSPUFF-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)CNC(N)=O ZINC001369816874 920002618 /nfs/dbraw/zinc/00/26/18/920002618.db2.gz SJLHWNMRQSPUFF-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369855792 920004012 /nfs/dbraw/zinc/00/40/12/920004012.db2.gz RMCFLRVHMLULBS-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369855800 920004087 /nfs/dbraw/zinc/00/40/87/920004087.db2.gz RMCFLRVHMLULBS-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 ZINC001369915870 920009983 /nfs/dbraw/zinc/00/99/83/920009983.db2.gz JJPSKBWGEDXZGM-CYBMUJFWSA-N 1 1 322.413 -1.201 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001369931048 920015523 /nfs/dbraw/zinc/01/55/23/920015523.db2.gz XYMMKYFJJHSMAQ-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001369933321 920018481 /nfs/dbraw/zinc/01/84/81/920018481.db2.gz JGLJWMNKAXSIGD-CYBMUJFWSA-N 1 1 311.430 -1.582 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976911 920021914 /nfs/dbraw/zinc/02/19/14/920021914.db2.gz MSPBODNYPZVZHG-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CNC(=O)NC)C2)C1=O ZINC001369976911 920021926 /nfs/dbraw/zinc/02/19/26/920021926.db2.gz MSPBODNYPZVZHG-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001369994157 920028021 /nfs/dbraw/zinc/02/80/21/920028021.db2.gz GEJAYXMBGBSRIP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001369994157 920028028 /nfs/dbraw/zinc/02/80/28/920028028.db2.gz GEJAYXMBGBSRIP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001370035523 920031288 /nfs/dbraw/zinc/03/12/88/920031288.db2.gz SNWFGKZDYJPYBN-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001370011690 920031378 /nfs/dbraw/zinc/03/13/78/920031378.db2.gz DXBDSVPTMHRCOC-STQMWFEESA-N 1 1 311.386 -1.055 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001370035525 920032075 /nfs/dbraw/zinc/03/20/75/920032075.db2.gz SNWFGKZDYJPYBN-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001370029139 920032332 /nfs/dbraw/zinc/03/23/32/920032332.db2.gz IUKPSHMTMNZWKS-WDEREUQCSA-N 1 1 310.354 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001370008620 920033141 /nfs/dbraw/zinc/03/31/41/920033141.db2.gz WEJKMNBCPCCWBG-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001370045494 920033235 /nfs/dbraw/zinc/03/32/35/920033235.db2.gz OHDWCOKFQDMEHM-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001370011685 920033453 /nfs/dbraw/zinc/03/34/53/920033453.db2.gz DXBDSVPTMHRCOC-QWHCGFSZSA-N 1 1 311.386 -1.055 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001370132297 920038304 /nfs/dbraw/zinc/03/83/04/920038304.db2.gz TXESMBOMOWNKDV-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001370133402 920039058 /nfs/dbraw/zinc/03/90/58/920039058.db2.gz WZMWLMBLFGLSOB-SNVBAGLBSA-N 1 1 322.369 -1.177 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001370213187 920044412 /nfs/dbraw/zinc/04/44/12/920044412.db2.gz MYLOLQOOXRQWPA-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001370213193 920044895 /nfs/dbraw/zinc/04/48/95/920044895.db2.gz MYLOLQOOXRQWPA-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]([NH2+]CCN1CCNC1=O)C1CC1 ZINC001370260892 920046371 /nfs/dbraw/zinc/04/63/71/920046371.db2.gz XIHCMAGOOQSDME-NSHDSACASA-N 1 1 321.385 -1.143 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001370294601 920048595 /nfs/dbraw/zinc/04/85/95/920048595.db2.gz HAKGAJSNUYFFPW-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001370292264 920050403 /nfs/dbraw/zinc/05/04/03/920050403.db2.gz APSSANICPSGOSI-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1)NC(N)=O ZINC001370368033 920053565 /nfs/dbraw/zinc/05/35/65/920053565.db2.gz VJQFQMHUFJCXCV-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001370450196 920058743 /nfs/dbraw/zinc/05/87/43/920058743.db2.gz ZHEFVWICAZJXID-NAKRPEOUSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001370449623 920059276 /nfs/dbraw/zinc/05/92/76/920059276.db2.gz YOUJVJNEDORDPV-CIUDSAMLSA-N 1 1 316.387 -1.448 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001370516762 920064846 /nfs/dbraw/zinc/06/48/46/920064846.db2.gz JTQFJHGHKOHFPQ-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001370594609 920071673 /nfs/dbraw/zinc/07/16/73/920071673.db2.gz RRBSRTOTAPANOS-YOGCLGLASA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370593693 920072426 /nfs/dbraw/zinc/07/24/26/920072426.db2.gz QBKYDAOQVFSXQC-NXEZZACHSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)c1nc[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370593693 920072438 /nfs/dbraw/zinc/07/24/38/920072438.db2.gz QBKYDAOQVFSXQC-NXEZZACHSA-N 1 1 310.358 -1.288 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001370620914 920074210 /nfs/dbraw/zinc/07/42/10/920074210.db2.gz WWFUGDFKGPWVAI-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001370620909 920074623 /nfs/dbraw/zinc/07/46/23/920074623.db2.gz WWFUGDFKGPWVAI-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001370620913 920075533 /nfs/dbraw/zinc/07/55/33/920075533.db2.gz WWFUGDFKGPWVAI-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001370631800 920075660 /nfs/dbraw/zinc/07/56/60/920075660.db2.gz APRHYCZUFNHVMR-NEPJUHHUSA-N 1 1 324.381 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CCOC)C1 ZINC001370631479 920077178 /nfs/dbraw/zinc/07/71/78/920077178.db2.gz BDAMIHAOEIMBJD-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CCOC)C1 ZINC001370631479 920077195 /nfs/dbraw/zinc/07/71/95/920077195.db2.gz BDAMIHAOEIMBJD-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC001370636663 920081548 /nfs/dbraw/zinc/08/15/48/920081548.db2.gz KJMBWDGCXJJQQL-LLVKDONJSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001370650364 920088435 /nfs/dbraw/zinc/08/84/35/920088435.db2.gz MQVHPTISYWTNOL-UWVGGRQHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CCCC(N)=O ZINC001370663145 920096114 /nfs/dbraw/zinc/09/61/14/920096114.db2.gz BPVYIQOLMGWJDZ-GHMZBOCLSA-N 1 1 314.386 -1.671 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001370664477 920098228 /nfs/dbraw/zinc/09/82/28/920098228.db2.gz LYRXEEPNANXCHH-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001370664471 920098555 /nfs/dbraw/zinc/09/85/55/920098555.db2.gz LYRXEEPNANXCHH-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cncn1 ZINC001370669601 920100288 /nfs/dbraw/zinc/10/02/88/920100288.db2.gz PWXZVNLHAQFVLT-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670659 920100625 /nfs/dbraw/zinc/10/06/25/920100625.db2.gz FBNWUBTYDSLCAC-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670659 920100636 /nfs/dbraw/zinc/10/06/36/920100636.db2.gz FBNWUBTYDSLCAC-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CS(C)(=O)=O)C1 ZINC001370669674 920100659 /nfs/dbraw/zinc/10/06/59/920100659.db2.gz WETNSKLHKKZQAN-VHSXEESVSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001370673817 920103299 /nfs/dbraw/zinc/10/32/99/920103299.db2.gz WGBBVABTCXXWKH-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1ccnn1C ZINC001370672165 920103688 /nfs/dbraw/zinc/10/36/88/920103688.db2.gz PBKQUEWNMUEFQD-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001370673815 920103904 /nfs/dbraw/zinc/10/39/04/920103904.db2.gz WGBBVABTCXXWKH-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccon2)C1 ZINC001370673230 920104041 /nfs/dbraw/zinc/10/40/41/920104041.db2.gz IKLQNVWYDZRDSZ-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccon2)C1 ZINC001370673230 920104056 /nfs/dbraw/zinc/10/40/56/920104056.db2.gz IKLQNVWYDZRDSZ-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccon2)C1 ZINC001370673225 920104081 /nfs/dbraw/zinc/10/40/81/920104081.db2.gz IKLQNVWYDZRDSZ-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccon2)C1 ZINC001370673225 920104097 /nfs/dbraw/zinc/10/40/97/920104097.db2.gz IKLQNVWYDZRDSZ-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370679245 920108950 /nfs/dbraw/zinc/10/89/50/920108950.db2.gz WXFFLMSQOCKYFM-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370679239 920109339 /nfs/dbraw/zinc/10/93/39/920109339.db2.gz WXFFLMSQOCKYFM-GHMZBOCLSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001370683368 920111732 /nfs/dbraw/zinc/11/17/32/920111732.db2.gz FHCMUBMIFJRRPB-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001370683364 920113207 /nfs/dbraw/zinc/11/32/07/920113207.db2.gz FHCMUBMIFJRRPB-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001370688260 920118833 /nfs/dbraw/zinc/11/88/33/920118833.db2.gz LJQFYMILUCDQPX-MWLCHTKSSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnns2)C1 ZINC001370707767 920132886 /nfs/dbraw/zinc/13/28/86/920132886.db2.gz NNKIKOBRNDWBLP-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnns2)C1 ZINC001370707768 920133325 /nfs/dbraw/zinc/13/33/25/920133325.db2.gz NNKIKOBRNDWBLP-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370708449 920136249 /nfs/dbraw/zinc/13/62/49/920136249.db2.gz RBIVYIOKMVAJPV-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccn(C)n2)CC[N@H+]1C ZINC001370712938 920139410 /nfs/dbraw/zinc/13/94/10/920139410.db2.gz AWEHNXRTFKFRND-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001370720150 920140904 /nfs/dbraw/zinc/14/09/04/920140904.db2.gz WOWDLUQJJRRBFD-ZOWXZIJZSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001370722456 920141899 /nfs/dbraw/zinc/14/18/99/920141899.db2.gz WBLNOHFVBSJKFF-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1COC2 ZINC001370720146 920142543 /nfs/dbraw/zinc/14/25/43/920142543.db2.gz WOWDLUQJJRRBFD-HUBLWGQQSA-N 1 1 313.398 -1.044 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001370726728 920144874 /nfs/dbraw/zinc/14/48/74/920144874.db2.gz DNMYQYKPTVCDLT-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726728 920144878 /nfs/dbraw/zinc/14/48/78/920144878.db2.gz DNMYQYKPTVCDLT-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726728 920144883 /nfs/dbraw/zinc/14/48/83/920144883.db2.gz DNMYQYKPTVCDLT-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001370726725 920145260 /nfs/dbraw/zinc/14/52/60/920145260.db2.gz DNMYQYKPTVCDLT-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726725 920145263 /nfs/dbraw/zinc/14/52/63/920145263.db2.gz DNMYQYKPTVCDLT-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726725 920145268 /nfs/dbraw/zinc/14/52/68/920145268.db2.gz DNMYQYKPTVCDLT-PWSUYJOCSA-N 1 1 324.385 -1.114 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370735963 920147211 /nfs/dbraw/zinc/14/72/11/920147211.db2.gz QVIXJBWEXCIPMD-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370735963 920147222 /nfs/dbraw/zinc/14/72/22/920147222.db2.gz QVIXJBWEXCIPMD-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370735963 920147233 /nfs/dbraw/zinc/14/72/33/920147233.db2.gz QVIXJBWEXCIPMD-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001370734799 920147912 /nfs/dbraw/zinc/14/79/12/920147912.db2.gz LPLFAZOPYRYGCX-MWLCHTKSSA-N 1 1 310.358 -1.884 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001370736245 920148026 /nfs/dbraw/zinc/14/80/26/920148026.db2.gz XDOWOZBCGYJTDR-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001370737658 920149766 /nfs/dbraw/zinc/14/97/66/920149766.db2.gz USICMDHZBAHUIW-KOLCDFICSA-N 1 1 312.374 -1.402 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001370739381 920150758 /nfs/dbraw/zinc/15/07/58/920150758.db2.gz AZYIFWBFZKQKIL-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001370746503 920153122 /nfs/dbraw/zinc/15/31/22/920153122.db2.gz RDACRFGYQJCWSF-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370742981 920153571 /nfs/dbraw/zinc/15/35/71/920153571.db2.gz HUOQCAUDNOOONE-WCQYABFASA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001370747792 920154694 /nfs/dbraw/zinc/15/46/94/920154694.db2.gz UFIKIDYGSNHWNY-VXGBXAGGSA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(=O)cn1 ZINC001370761176 920160018 /nfs/dbraw/zinc/16/00/18/920160018.db2.gz PJCDZXGKJGAJJZ-MWLCHTKSSA-N 1 1 323.353 -1.929 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001370762374 920163270 /nfs/dbraw/zinc/16/32/70/920163270.db2.gz TUQWKFJLLYOQDD-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001370762374 920163283 /nfs/dbraw/zinc/16/32/83/920163283.db2.gz TUQWKFJLLYOQDD-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001370762374 920163291 /nfs/dbraw/zinc/16/32/91/920163291.db2.gz TUQWKFJLLYOQDD-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001370768457 920166476 /nfs/dbraw/zinc/16/64/76/920166476.db2.gz GVVXDFKJROJVOA-NEPJUHHUSA-N 1 1 310.354 -1.095 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001370777476 920171236 /nfs/dbraw/zinc/17/12/36/920171236.db2.gz AKVMBQNFNVGCEE-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ncccn2)C1 ZINC001370779448 920174021 /nfs/dbraw/zinc/17/40/21/920174021.db2.gz SDJCJMHSRZMXSZ-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)CC1 ZINC001370779976 920174247 /nfs/dbraw/zinc/17/42/47/920174247.db2.gz SDDXHUFZMHNSJQ-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)CC1 ZINC001370779976 920174252 /nfs/dbraw/zinc/17/42/52/920174252.db2.gz SDDXHUFZMHNSJQ-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001370787450 920177345 /nfs/dbraw/zinc/17/73/45/920177345.db2.gz IDQPXZQFETWVBK-VXGBXAGGSA-N 1 1 316.402 -1.120 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802756 920183560 /nfs/dbraw/zinc/18/35/60/920183560.db2.gz FGDWJSUMKYMCGR-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802756 920183569 /nfs/dbraw/zinc/18/35/69/920183569.db2.gz FGDWJSUMKYMCGR-GHMZBOCLSA-N 1 1 301.387 -1.044 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001370979804 920202743 /nfs/dbraw/zinc/20/27/43/920202743.db2.gz MHGMPUFPXZOWKM-STQMWFEESA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001370979804 920202756 /nfs/dbraw/zinc/20/27/56/920202756.db2.gz MHGMPUFPXZOWKM-STQMWFEESA-N 1 1 324.381 -1.106 20 0 DAADMO CSCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370978768 920203309 /nfs/dbraw/zinc/20/33/09/920203309.db2.gz KZXWZAKFTNTIGK-GHMZBOCLSA-N 1 1 319.427 -1.385 20 0 DAADMO CSCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370978768 920203328 /nfs/dbraw/zinc/20/33/28/920203328.db2.gz KZXWZAKFTNTIGK-GHMZBOCLSA-N 1 1 319.427 -1.385 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001370987596 920205291 /nfs/dbraw/zinc/20/52/91/920205291.db2.gz REJCFSZPMPXFJR-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001370985492 920206151 /nfs/dbraw/zinc/20/61/51/920206151.db2.gz VPTPWJBQBXZIJE-VXGBXAGGSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001370986473 920207011 /nfs/dbraw/zinc/20/70/11/920207011.db2.gz PFGLVFVPAIFKFV-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)CN1CCCC1 ZINC001371002806 920212883 /nfs/dbraw/zinc/21/28/83/920212883.db2.gz ABXCLQLWIYXUKT-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001371011397 920214282 /nfs/dbraw/zinc/21/42/82/920214282.db2.gz VCNXAULKMUEJJI-OUAUKWLOSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c2cn[nH]n2)CC[N@H+]1C ZINC001371011394 920214859 /nfs/dbraw/zinc/21/48/59/920214859.db2.gz VCNXAULKMUEJJI-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001371012196 920215336 /nfs/dbraw/zinc/21/53/36/920215336.db2.gz PFHICXGWFKGJFG-YPMHNXCESA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371027222 920221728 /nfs/dbraw/zinc/22/17/28/920221728.db2.gz WIKNOSDHQVVXBC-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](COC)OC ZINC001371034627 920224081 /nfs/dbraw/zinc/22/40/81/920224081.db2.gz CNRGNFZPNFWORO-BNDIWNMDSA-N 1 1 302.371 -1.299 20 0 DAADMO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034662 920224395 /nfs/dbraw/zinc/22/43/95/920224395.db2.gz GUBJRXNVDJEGGQ-YFVNTRNASA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034662 920224409 /nfs/dbraw/zinc/22/44/09/920224409.db2.gz GUBJRXNVDJEGGQ-YFVNTRNASA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@H](CNC(=O)CN1CCCC1=O)[NH2+][C@@H](C)c1nnnn1C ZINC001371102998 920228763 /nfs/dbraw/zinc/22/87/63/920228763.db2.gz JFQXSFNKNKDRAY-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001371103968 920230594 /nfs/dbraw/zinc/23/05/94/920230594.db2.gz LDBSORXIEREUMQ-SNVBAGLBSA-N 1 1 324.385 -1.119 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001371140858 920232502 /nfs/dbraw/zinc/23/25/02/920232502.db2.gz PDZGLMNNHACURN-VHSXEESVSA-N 1 1 309.374 -1.044 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001371140857 920234687 /nfs/dbraw/zinc/23/46/87/920234687.db2.gz PDZGLMNNHACURN-NXEZZACHSA-N 1 1 309.374 -1.044 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001371173637 920235410 /nfs/dbraw/zinc/23/54/10/920235410.db2.gz SQDMYCAPVMFZQU-BDAKNGLRSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001371241686 920239325 /nfs/dbraw/zinc/23/93/25/920239325.db2.gz AXXJCVHRGSHLBT-SECBINFHSA-N 1 1 308.346 -1.995 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001371257085 920241099 /nfs/dbraw/zinc/24/10/99/920241099.db2.gz PGCFSBFTYAJVCL-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)CNC(N)=O)C3)C1 ZINC001371294579 920243208 /nfs/dbraw/zinc/24/32/08/920243208.db2.gz QQIWVIFRDGKXFY-NSHDSACASA-N 1 1 323.397 -1.333 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001371303193 920244935 /nfs/dbraw/zinc/24/49/35/920244935.db2.gz BVBJHZYWHYLYOI-SECBINFHSA-N 1 1 310.362 -2.764 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1nncn1C ZINC001371305605 920245179 /nfs/dbraw/zinc/24/51/79/920245179.db2.gz QSFKPZJQLYLWBI-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001371424944 920251415 /nfs/dbraw/zinc/25/14/15/920251415.db2.gz PZDGYKHPUNWAPO-SNVBAGLBSA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC1CCOCC1 ZINC001371424940 920251858 /nfs/dbraw/zinc/25/18/58/920251858.db2.gz PZDGYKHPUNWAPO-JTQLQIEISA-N 1 1 324.385 -1.263 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001371447615 920254246 /nfs/dbraw/zinc/25/42/46/920254246.db2.gz YJRYDUUJANLWJY-GMTAPVOTSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001371447615 920254255 /nfs/dbraw/zinc/25/42/55/920254255.db2.gz YJRYDUUJANLWJY-GMTAPVOTSA-N 1 1 301.343 -2.349 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001371462083 920261436 /nfs/dbraw/zinc/26/14/36/920261436.db2.gz ASBGVZTZXLZAMC-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001371476977 920264782 /nfs/dbraw/zinc/26/47/82/920264782.db2.gz KFFAKOSPHQAGFN-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001371476489 920266465 /nfs/dbraw/zinc/26/64/65/920266465.db2.gz WYEBLXIMXNKSIZ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001371476489 920266473 /nfs/dbraw/zinc/26/64/73/920266473.db2.gz WYEBLXIMXNKSIZ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001371476489 920266494 /nfs/dbraw/zinc/26/64/94/920266494.db2.gz WYEBLXIMXNKSIZ-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001371500231 920268703 /nfs/dbraw/zinc/26/87/03/920268703.db2.gz MDUCVCLEKZCMEJ-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)c1nnnn1C ZINC001371499104 920269372 /nfs/dbraw/zinc/26/93/72/920269372.db2.gz BRTUYAVGGPLZTC-KOLCDFICSA-N 1 1 321.385 -1.012 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001371500232 920269626 /nfs/dbraw/zinc/26/96/26/920269626.db2.gz MDUCVCLEKZCMEJ-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001371536963 920279425 /nfs/dbraw/zinc/27/94/25/920279425.db2.gz VRRTZRGYQDTPIM-NEPJUHHUSA-N 1 1 324.385 -1.543 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001371692408 920294423 /nfs/dbraw/zinc/29/44/23/920294423.db2.gz NOXHRJLYFJDEQQ-JTQLQIEISA-N 1 1 320.415 -1.537 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001371692408 920294440 /nfs/dbraw/zinc/29/44/40/920294440.db2.gz NOXHRJLYFJDEQQ-JTQLQIEISA-N 1 1 320.415 -1.537 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001371665341 920295343 /nfs/dbraw/zinc/29/53/43/920295343.db2.gz LYPMMLKTLANPDN-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001371675674 920295974 /nfs/dbraw/zinc/29/59/74/920295974.db2.gz GTMADWFKZCBDGI-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnn(C)n1 ZINC001371830859 920301465 /nfs/dbraw/zinc/30/14/65/920301465.db2.gz XOXJEYQVYUFDJI-MRVPVSSYSA-N 1 1 308.346 -1.053 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnn(C)n1 ZINC001371830861 920301560 /nfs/dbraw/zinc/30/15/60/920301560.db2.gz XOXJEYQVYUFDJI-QMMMGPOBSA-N 1 1 308.346 -1.053 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)CCNC(=O)C1CC1 ZINC001371923772 920309507 /nfs/dbraw/zinc/30/95/07/920309507.db2.gz YLVDYFGEDANPLK-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001371965138 920311876 /nfs/dbraw/zinc/31/18/76/920311876.db2.gz SANXTMCFXHSLJQ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001371965138 920311897 /nfs/dbraw/zinc/31/18/97/920311897.db2.gz SANXTMCFXHSLJQ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(=O)N1CCCC1 ZINC001371939011 920311999 /nfs/dbraw/zinc/31/19/99/920311999.db2.gz JTBWTYRVLVLLJB-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(=O)N1CCCC1 ZINC001371939011 920312010 /nfs/dbraw/zinc/31/20/10/920312010.db2.gz JTBWTYRVLVLLJB-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371952311 920312345 /nfs/dbraw/zinc/31/23/45/920312345.db2.gz NEBPTHVFMZSTHB-VIFPVBQESA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371952311 920312360 /nfs/dbraw/zinc/31/23/60/920312360.db2.gz NEBPTHVFMZSTHB-VIFPVBQESA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371952309 920313729 /nfs/dbraw/zinc/31/37/29/920313729.db2.gz NEBPTHVFMZSTHB-SECBINFHSA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC001371952309 920313742 /nfs/dbraw/zinc/31/37/42/920313742.db2.gz NEBPTHVFMZSTHB-SECBINFHSA-N 1 1 316.358 -1.229 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001371963410 920313867 /nfs/dbraw/zinc/31/38/67/920313867.db2.gz IECCAQTYPPIOLQ-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001371963410 920313884 /nfs/dbraw/zinc/31/38/84/920313884.db2.gz IECCAQTYPPIOLQ-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001371964414 920313953 /nfs/dbraw/zinc/31/39/53/920313953.db2.gz OLVPMVWYYRRDOP-LLVKDONJSA-N 1 1 307.358 -1.266 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953656 920314422 /nfs/dbraw/zinc/31/44/22/920314422.db2.gz SEPQLBPVRSDGNG-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953656 920314434 /nfs/dbraw/zinc/31/44/34/920314434.db2.gz SEPQLBPVRSDGNG-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001371950114 920314514 /nfs/dbraw/zinc/31/45/14/920314514.db2.gz FDJVEECCZSWMAU-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CNC(=O)CCCC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001371950114 920314533 /nfs/dbraw/zinc/31/45/33/920314533.db2.gz FDJVEECCZSWMAU-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371970308 920315853 /nfs/dbraw/zinc/31/58/53/920315853.db2.gz ITGBEBXRGOBODN-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001371970308 920315866 /nfs/dbraw/zinc/31/58/66/920315866.db2.gz ITGBEBXRGOBODN-MRVPVSSYSA-N 1 1 312.334 -2.435 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001371979667 920316180 /nfs/dbraw/zinc/31/61/80/920316180.db2.gz UZMNCXCVRYQRLS-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001371979667 920316193 /nfs/dbraw/zinc/31/61/93/920316193.db2.gz UZMNCXCVRYQRLS-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001371970019 920316536 /nfs/dbraw/zinc/31/65/36/920316536.db2.gz AJWAXGOIVZZNHZ-JTQLQIEISA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001371998548 920319247 /nfs/dbraw/zinc/31/92/47/920319247.db2.gz ZDRLNNNGGNVQQH-UHFFFAOYSA-N 1 1 310.358 -1.486 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001371998548 920319261 /nfs/dbraw/zinc/31/92/61/920319261.db2.gz ZDRLNNNGGNVQQH-UHFFFAOYSA-N 1 1 310.358 -1.486 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001372006523 920323712 /nfs/dbraw/zinc/32/37/12/920323712.db2.gz QFPUHHXMSUHZAI-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001372016360 920327150 /nfs/dbraw/zinc/32/71/50/920327150.db2.gz ZABNPWYIRZEBNP-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1(COC)CC1 ZINC001372038045 920328436 /nfs/dbraw/zinc/32/84/36/920328436.db2.gz DNRCJDLSQYRTDR-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1(COC)CC1 ZINC001372038045 920328442 /nfs/dbraw/zinc/32/84/42/920328442.db2.gz DNRCJDLSQYRTDR-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)NC(N)=O ZINC001372049410 920329030 /nfs/dbraw/zinc/32/90/30/920329030.db2.gz IJEAFKXPUUKSFC-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)NC(N)=O ZINC001372049410 920329047 /nfs/dbraw/zinc/32/90/47/920329047.db2.gz IJEAFKXPUUKSFC-ULHKAFAUSA-N 1 1 310.354 -1.347 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C[C@H]1CCc2ncnn21 ZINC001372107199 920335986 /nfs/dbraw/zinc/33/59/86/920335986.db2.gz GKAJNXDIKLRVRY-MXWKQRLJSA-N 1 1 306.370 -1.065 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372090825 920337147 /nfs/dbraw/zinc/33/71/47/920337147.db2.gz GQIBRHYWQJDLAH-ZETCQYMHSA-N 1 1 300.319 -2.829 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001372090825 920337157 /nfs/dbraw/zinc/33/71/57/920337157.db2.gz GQIBRHYWQJDLAH-ZETCQYMHSA-N 1 1 300.319 -2.829 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)c2nnn(C)n2)C1=O ZINC001372129354 920339915 /nfs/dbraw/zinc/33/99/15/920339915.db2.gz ISBLNUORFJPTOO-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)c2nnn(C)n2)C1=O ZINC001372129354 920339930 /nfs/dbraw/zinc/33/99/30/920339930.db2.gz ISBLNUORFJPTOO-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CCn1cncn1 ZINC001372128457 920340203 /nfs/dbraw/zinc/34/02/03/920340203.db2.gz BHDCQRRRJJEOLF-VIFPVBQESA-N 1 1 309.330 -2.076 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001372138792 920340657 /nfs/dbraw/zinc/34/06/57/920340657.db2.gz DDPYWGSBZIMAFN-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001372138792 920340668 /nfs/dbraw/zinc/34/06/68/920340668.db2.gz DDPYWGSBZIMAFN-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1)C(N)=O ZINC001372138851 920340718 /nfs/dbraw/zinc/34/07/18/920340718.db2.gz DVMKYKWGZFATGC-LBPRGKRZSA-N 1 1 324.385 -1.652 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+](C)Cc1cnn(C)c1)C(N)=O ZINC001372138851 920340728 /nfs/dbraw/zinc/34/07/28/920340728.db2.gz DVMKYKWGZFATGC-LBPRGKRZSA-N 1 1 324.385 -1.652 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001372137045 920340996 /nfs/dbraw/zinc/34/09/96/920340996.db2.gz MQBQCIYGIBLDIQ-JTQLQIEISA-N 1 1 312.370 -1.220 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)Cc2cnn(C)c2)c(=O)n1C ZINC001372202636 920342615 /nfs/dbraw/zinc/34/26/15/920342615.db2.gz HXGCEVCPVSAJHP-UHFFFAOYSA-N 1 1 321.385 -1.128 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C)Cc2cnn(C)c2)c(=O)n1C ZINC001372202636 920342631 /nfs/dbraw/zinc/34/26/31/920342631.db2.gz HXGCEVCPVSAJHP-UHFFFAOYSA-N 1 1 321.385 -1.128 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001372166556 920343849 /nfs/dbraw/zinc/34/38/49/920343849.db2.gz XEZVHBTUZQARPK-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC001372166556 920343861 /nfs/dbraw/zinc/34/38/61/920343861.db2.gz XEZVHBTUZQARPK-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@H]1CCOC1 ZINC001372224878 920347035 /nfs/dbraw/zinc/34/70/35/920347035.db2.gz XFKWVMRQURTCBV-GHMZBOCLSA-N 1 1 305.400 -1.237 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001372210299 920347125 /nfs/dbraw/zinc/34/71/25/920347125.db2.gz LJSLJJJOGAXDSP-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@H]1CCOC1 ZINC001372224879 920347236 /nfs/dbraw/zinc/34/72/36/920347236.db2.gz XFKWVMRQURTCBV-MNOVXSKESA-N 1 1 305.400 -1.237 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@@H]1CCOC1 ZINC001372224881 920347800 /nfs/dbraw/zinc/34/78/00/920347800.db2.gz XFKWVMRQURTCBV-WDEREUQCSA-N 1 1 305.400 -1.237 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001372226070 920350407 /nfs/dbraw/zinc/35/04/07/920350407.db2.gz ABWBFWKNQLZICK-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001372226070 920350429 /nfs/dbraw/zinc/35/04/29/920350429.db2.gz ABWBFWKNQLZICK-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001372226073 920351389 /nfs/dbraw/zinc/35/13/89/920351389.db2.gz ABWBFWKNQLZICK-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001372226073 920351403 /nfs/dbraw/zinc/35/14/03/920351403.db2.gz ABWBFWKNQLZICK-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+](CCNC(=O)c1cccnc1C(N)=O)[C@H]1CCNC1=O ZINC001372238794 920351863 /nfs/dbraw/zinc/35/18/63/920351863.db2.gz LARMLKSCXZXUCH-JTQLQIEISA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccnc1C(N)=O)[C@H]1CCNC1=O ZINC001372238794 920351875 /nfs/dbraw/zinc/35/18/75/920351875.db2.gz LARMLKSCXZXUCH-JTQLQIEISA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372245535 920353044 /nfs/dbraw/zinc/35/30/44/920353044.db2.gz NNKPLEDAVWCWON-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001372264524 920357891 /nfs/dbraw/zinc/35/78/91/920357891.db2.gz URKBMUHTCPYPSZ-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(N)=O ZINC001372273816 920358797 /nfs/dbraw/zinc/35/87/97/920358797.db2.gz ZJDCOMXQGUYXTD-UHFFFAOYSA-N 1 1 300.315 -1.492 20 0 DAADMO CC[N@@H+](CCNC(=O)C1=COCCO1)CC(=O)NC(N)=O ZINC001372273816 920358808 /nfs/dbraw/zinc/35/88/08/920358808.db2.gz ZJDCOMXQGUYXTD-UHFFFAOYSA-N 1 1 300.315 -1.492 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001372277044 920359206 /nfs/dbraw/zinc/35/92/06/920359206.db2.gz ATUGLPPILQAEFV-WDEREUQCSA-N 1 1 323.397 -1.001 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)CC(=O)N(C)C ZINC001372331915 920363422 /nfs/dbraw/zinc/36/34/22/920363422.db2.gz NLNZXURELOEOQE-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)CC(=O)N(C)C ZINC001372331915 920363437 /nfs/dbraw/zinc/36/34/37/920363437.db2.gz NLNZXURELOEOQE-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(=O)NC ZINC001372325421 920363563 /nfs/dbraw/zinc/36/35/63/920363563.db2.gz ZDMWVVIYTMJDDF-UHFFFAOYSA-N 1 1 321.381 -1.005 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)CC(=O)NC ZINC001372325421 920363578 /nfs/dbraw/zinc/36/35/78/920363578.db2.gz ZDMWVVIYTMJDDF-UHFFFAOYSA-N 1 1 321.381 -1.005 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)Cn1ncn(C)c1=O ZINC001372371332 920366430 /nfs/dbraw/zinc/36/64/30/920366430.db2.gz ZOJDNWUCJXRLKL-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)Cn1ncn(C)c1=O ZINC001372371332 920366451 /nfs/dbraw/zinc/36/64/51/920366451.db2.gz ZOJDNWUCJXRLKL-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)CN1CCNC(=O)C1 ZINC001372394946 920369252 /nfs/dbraw/zinc/36/92/52/920369252.db2.gz JYLHDVZVRLRRQR-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)CN1CCNC(=O)C1 ZINC001372394946 920369263 /nfs/dbraw/zinc/36/92/63/920369263.db2.gz JYLHDVZVRLRRQR-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO COCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001372479437 920373868 /nfs/dbraw/zinc/37/38/68/920373868.db2.gz DMGHGTAILUXPFG-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001372479437 920373885 /nfs/dbraw/zinc/37/38/85/920373885.db2.gz DMGHGTAILUXPFG-LLVKDONJSA-N 1 1 324.381 -1.189 20 0 DAADMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC(=O)NC(N)=O ZINC001372479092 920373969 /nfs/dbraw/zinc/37/39/69/920373969.db2.gz ACJMTUAGWPBMLE-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C[C@H](O)COC ZINC001372467763 920374698 /nfs/dbraw/zinc/37/46/98/920374698.db2.gz FIBNLSQKVKCLRY-NSHDSACASA-N 1 1 312.370 -1.161 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)CC(=O)N(C)C ZINC001372474679 920375086 /nfs/dbraw/zinc/37/50/86/920375086.db2.gz DCTJMZHYRVKRKS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)CC(=O)N(C)C ZINC001372474679 920375094 /nfs/dbraw/zinc/37/50/94/920375094.db2.gz DCTJMZHYRVKRKS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001372486392 920377632 /nfs/dbraw/zinc/37/76/32/920377632.db2.gz BXGDGRRGCOPJNV-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001372512067 920380393 /nfs/dbraw/zinc/38/03/93/920380393.db2.gz AEMSOVOVHQHBSZ-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001372542189 920382225 /nfs/dbraw/zinc/38/22/25/920382225.db2.gz AYIYSCAIALPNHL-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001372542189 920382237 /nfs/dbraw/zinc/38/22/37/920382237.db2.gz AYIYSCAIALPNHL-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001372540910 920383132 /nfs/dbraw/zinc/38/31/32/920383132.db2.gz KNMXPYJUYRCMGU-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001372540910 920383147 /nfs/dbraw/zinc/38/31/47/920383147.db2.gz KNMXPYJUYRCMGU-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001372552608 920386261 /nfs/dbraw/zinc/38/62/61/920386261.db2.gz TWNPASDOQWJCIB-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001372554563 920386636 /nfs/dbraw/zinc/38/66/36/920386636.db2.gz MTUZGEJECCZOOK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001372555204 920386903 /nfs/dbraw/zinc/38/69/03/920386903.db2.gz YRQUJKLJFIOKRK-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001372594721 920389014 /nfs/dbraw/zinc/38/90/14/920389014.db2.gz WJBXRONHGZKTFX-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001372604112 920389705 /nfs/dbraw/zinc/38/97/05/920389705.db2.gz FKEOANDYSAGFNS-DTWKUNHWSA-N 1 1 323.357 -1.550 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001372604120 920390344 /nfs/dbraw/zinc/39/03/44/920390344.db2.gz FKEOANDYSAGFNS-RKDXNWHRSA-N 1 1 323.357 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001372607475 920391495 /nfs/dbraw/zinc/39/14/95/920391495.db2.gz HZUIHHLPHGZHBN-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001372607475 920391512 /nfs/dbraw/zinc/39/15/12/920391512.db2.gz HZUIHHLPHGZHBN-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001372594094 920392018 /nfs/dbraw/zinc/39/20/18/920392018.db2.gz SSICDOSNFLBCCL-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001372608624 920392100 /nfs/dbraw/zinc/39/21/00/920392100.db2.gz MRUOAKDUTZXRHA-QWRGUYRKSA-N 1 1 312.370 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001372617592 920393002 /nfs/dbraw/zinc/39/30/02/920393002.db2.gz NDOYOAXNZCVJTL-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001372617599 920394948 /nfs/dbraw/zinc/39/49/48/920394948.db2.gz NDOYOAXNZCVJTL-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001372617596 920395390 /nfs/dbraw/zinc/39/53/90/920395390.db2.gz NDOYOAXNZCVJTL-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001372627646 920395458 /nfs/dbraw/zinc/39/54/58/920395458.db2.gz NUMQHCUIXSRLEA-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001372643085 920395627 /nfs/dbraw/zinc/39/56/27/920395627.db2.gz WLCDVPPUPVANSL-JTQLQIEISA-N 1 1 310.358 -2.234 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001372616185 920395944 /nfs/dbraw/zinc/39/59/44/920395944.db2.gz KLJDSNSJOPEFJL-NSHDSACASA-N 1 1 305.400 -1.548 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001372617283 920396018 /nfs/dbraw/zinc/39/60/18/920396018.db2.gz LTCZOOFXAQEJRW-LBPRGKRZSA-N 1 1 324.381 -1.633 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001372629775 920396535 /nfs/dbraw/zinc/39/65/35/920396535.db2.gz UGLFLIGFEIDMGN-NEPJUHHUSA-N 1 1 324.381 -1.161 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372653515 920396633 /nfs/dbraw/zinc/39/66/33/920396633.db2.gz QILRGCIIEUCOKW-NXEZZACHSA-N 1 1 316.358 -1.719 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001372671780 920397113 /nfs/dbraw/zinc/39/71/13/920397113.db2.gz ZXPPZAPGJYPGMD-RKDXNWHRSA-N 1 1 324.341 -1.035 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)NC ZINC001372686268 920397243 /nfs/dbraw/zinc/39/72/43/920397243.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)NC ZINC001372686268 920397257 /nfs/dbraw/zinc/39/72/57/920397257.db2.gz AKPPVXHGQVWPPN-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372676534 920398220 /nfs/dbraw/zinc/39/82/20/920398220.db2.gz LCEBPIMCJQPXJC-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372676534 920398237 /nfs/dbraw/zinc/39/82/37/920398237.db2.gz LCEBPIMCJQPXJC-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[C@@H](NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C(N)=O ZINC001372682895 920398433 /nfs/dbraw/zinc/39/84/33/920398433.db2.gz SEEHDZDKRUGLSX-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO CC[C@@H](NC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C(N)=O ZINC001372682895 920398449 /nfs/dbraw/zinc/39/84/49/920398449.db2.gz SEEHDZDKRUGLSX-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001372667084 920399426 /nfs/dbraw/zinc/39/94/26/920399426.db2.gz DIBLNMUZSXNXEV-GFCCVEGCSA-N 1 1 319.427 -1.853 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001372666800 920399781 /nfs/dbraw/zinc/39/97/81/920399781.db2.gz OBALIYFAZQOGNQ-NXEZZACHSA-N 1 1 323.357 -1.700 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001372666600 920400205 /nfs/dbraw/zinc/40/02/05/920400205.db2.gz PMAGYJXWFQPPLA-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(N)=O ZINC001372707180 920402305 /nfs/dbraw/zinc/40/23/05/920402305.db2.gz OONWCLPZCFJRED-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(N)=O ZINC001372707180 920402319 /nfs/dbraw/zinc/40/23/19/920402319.db2.gz OONWCLPZCFJRED-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001372735345 920404298 /nfs/dbraw/zinc/40/42/98/920404298.db2.gz UQFAEEYFUBOSON-PUHVVEEASA-N 1 1 323.397 -1.431 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001372776951 920409930 /nfs/dbraw/zinc/40/99/30/920409930.db2.gz MVQDDHFNYBQAIM-LBPRGKRZSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001372776951 920409952 /nfs/dbraw/zinc/40/99/52/920409952.db2.gz MVQDDHFNYBQAIM-LBPRGKRZSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001372791076 920412541 /nfs/dbraw/zinc/41/25/41/920412541.db2.gz DWRCGFXJBBQRRO-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1)N1CCC1 ZINC001372800474 920413247 /nfs/dbraw/zinc/41/32/47/920413247.db2.gz KIUOCIYHZPTGMH-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1)N1CCC1 ZINC001372800474 920413254 /nfs/dbraw/zinc/41/32/54/920413254.db2.gz KIUOCIYHZPTGMH-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372801770 920413576 /nfs/dbraw/zinc/41/35/76/920413576.db2.gz PHCNJVRZPCHLAX-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372801770 920413587 /nfs/dbraw/zinc/41/35/87/920413587.db2.gz PHCNJVRZPCHLAX-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372791261 920413738 /nfs/dbraw/zinc/41/37/38/920413738.db2.gz FLLXRQGZUWWGLG-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372791261 920413744 /nfs/dbraw/zinc/41/37/44/920413744.db2.gz FLLXRQGZUWWGLG-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO Cn1nncc1C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372800521 920414645 /nfs/dbraw/zinc/41/46/45/920414645.db2.gz KTQWFVRHJLQMEE-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001372800521 920414661 /nfs/dbraw/zinc/41/46/61/920414661.db2.gz KTQWFVRHJLQMEE-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818293 920415937 /nfs/dbraw/zinc/41/59/37/920415937.db2.gz JBKJMKAYKYBKHH-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818293 920415946 /nfs/dbraw/zinc/41/59/46/920415946.db2.gz JBKJMKAYKYBKHH-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813364 920416322 /nfs/dbraw/zinc/41/63/22/920416322.db2.gz BYPQCGDIVGEILJ-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813364 920416330 /nfs/dbraw/zinc/41/63/30/920416330.db2.gz BYPQCGDIVGEILJ-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)C1CC1 ZINC001372822047 920418812 /nfs/dbraw/zinc/41/88/12/920418812.db2.gz PFWHAOBOHMCJRS-NSHDSACASA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822888 920418865 /nfs/dbraw/zinc/41/88/65/920418865.db2.gz QAHBELBWIJGPIY-IUCAKERBSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822888 920418871 /nfs/dbraw/zinc/41/88/71/920418871.db2.gz QAHBELBWIJGPIY-IUCAKERBSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822887 920419960 /nfs/dbraw/zinc/41/99/60/920419960.db2.gz QAHBELBWIJGPIY-DTWKUNHWSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822887 920419975 /nfs/dbraw/zinc/41/99/75/920419975.db2.gz QAHBELBWIJGPIY-DTWKUNHWSA-N 1 1 311.346 -2.225 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372853234 920424200 /nfs/dbraw/zinc/42/42/00/920424200.db2.gz XXVBWEBGPROAIE-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372853236 920424506 /nfs/dbraw/zinc/42/45/06/920424506.db2.gz XXVBWEBGPROAIE-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001372880472 920426752 /nfs/dbraw/zinc/42/67/52/920426752.db2.gz SAZYHHIDHMSRCZ-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001372880472 920426767 /nfs/dbraw/zinc/42/67/67/920426767.db2.gz SAZYHHIDHMSRCZ-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372880425 920427987 /nfs/dbraw/zinc/42/79/87/920427987.db2.gz MQOBWOGFEIFSRK-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001372870382 920428425 /nfs/dbraw/zinc/42/84/25/920428425.db2.gz ZXUMMCWGKLYNAC-GHMZBOCLSA-N 1 1 300.359 -1.744 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001372935629 920438920 /nfs/dbraw/zinc/43/89/20/920438920.db2.gz KNFYCBQAWNJYPO-VIFPVBQESA-N 1 1 322.373 -1.182 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001372954258 920442084 /nfs/dbraw/zinc/44/20/84/920442084.db2.gz GFLMUNSUUJWAGN-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001372984664 920445578 /nfs/dbraw/zinc/44/55/78/920445578.db2.gz CSGVXFMALBXAQP-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001372976503 920445733 /nfs/dbraw/zinc/44/57/33/920445733.db2.gz UDLHHBGLRDBDQV-PSASIEDQSA-N 1 1 308.342 -1.506 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373019820 920450550 /nfs/dbraw/zinc/45/05/50/920450550.db2.gz RPKXFDVFPGTUSG-PSASIEDQSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373019820 920450559 /nfs/dbraw/zinc/45/05/59/920450559.db2.gz RPKXFDVFPGTUSG-PSASIEDQSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001373055025 920452559 /nfs/dbraw/zinc/45/25/59/920452559.db2.gz OBRLLEAVUPIFBR-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001373064330 920456174 /nfs/dbraw/zinc/45/61/74/920456174.db2.gz KBCAIWDYBCZXKB-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001373098813 920458344 /nfs/dbraw/zinc/45/83/44/920458344.db2.gz GQQFNIWWGLMNLS-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001373085557 920458954 /nfs/dbraw/zinc/45/89/54/920458954.db2.gz GQLDUHYDTKKARI-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093943 920459791 /nfs/dbraw/zinc/45/97/91/920459791.db2.gz AXVJNLIMDILRBG-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093943 920459800 /nfs/dbraw/zinc/45/98/00/920459800.db2.gz AXVJNLIMDILRBG-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373144966 920461630 /nfs/dbraw/zinc/46/16/30/920461630.db2.gz OXDZWATXGWISSI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373144966 920461640 /nfs/dbraw/zinc/46/16/40/920461640.db2.gz OXDZWATXGWISSI-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373138810 920461858 /nfs/dbraw/zinc/46/18/58/920461858.db2.gz FILBGCWRSJUDAA-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373221769 920465996 /nfs/dbraw/zinc/46/59/96/920465996.db2.gz FNKOYADYYGOZSJ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373191025 920466896 /nfs/dbraw/zinc/46/68/96/920466896.db2.gz KVFORHKPSKTKBS-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001373232786 920469671 /nfs/dbraw/zinc/46/96/71/920469671.db2.gz LRDQUQZDCQRONZ-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001373295610 920472055 /nfs/dbraw/zinc/47/20/55/920472055.db2.gz WJSDKOGKZXCVSM-MNOVXSKESA-N 1 1 312.374 -1.389 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373274734 920473177 /nfs/dbraw/zinc/47/31/77/920473177.db2.gz OIQKYGVLNDYFRZ-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)CCS(C)(=O)=O)C1 ZINC001373274544 920473487 /nfs/dbraw/zinc/47/34/87/920473487.db2.gz UEGUFIPVHZWQJZ-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCS(C)(=O)=O)C1 ZINC001373274544 920473492 /nfs/dbraw/zinc/47/34/92/920473492.db2.gz UEGUFIPVHZWQJZ-GFCCVEGCSA-N 1 1 319.427 -1.053 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001373294470 920473782 /nfs/dbraw/zinc/47/37/82/920473782.db2.gz QQWOUEUFPJWOMZ-GHMZBOCLSA-N 1 1 311.386 -1.464 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001373313755 920474864 /nfs/dbraw/zinc/47/48/64/920474864.db2.gz NQGXNJCOBXRAKY-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC(C[N@@H+](C)CC(N)=O)CC2)C1 ZINC001373315563 920476278 /nfs/dbraw/zinc/47/62/78/920476278.db2.gz CZMUTXWSOAOHTJ-CYBMUJFWSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC001373369345 920481045 /nfs/dbraw/zinc/48/10/45/920481045.db2.gz MJAFUCDFJHWLRG-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373369377 920481729 /nfs/dbraw/zinc/48/17/29/920481729.db2.gz FLATZBVNYOASSE-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001373369377 920481740 /nfs/dbraw/zinc/48/17/40/920481740.db2.gz FLATZBVNYOASSE-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnccn1 ZINC001373387655 920484148 /nfs/dbraw/zinc/48/41/48/920484148.db2.gz DKQDCFQYVYDDSL-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnccn1 ZINC001373387655 920484165 /nfs/dbraw/zinc/48/41/65/920484165.db2.gz DKQDCFQYVYDDSL-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnccn1 ZINC001373387657 920485525 /nfs/dbraw/zinc/48/55/25/920485525.db2.gz DKQDCFQYVYDDSL-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnccn1 ZINC001373387657 920485532 /nfs/dbraw/zinc/48/55/32/920485532.db2.gz DKQDCFQYVYDDSL-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001373407473 920487601 /nfs/dbraw/zinc/48/76/01/920487601.db2.gz ORNUZKKEUMQDGE-NWDGAFQWSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@@H](C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001373407473 920487610 /nfs/dbraw/zinc/48/76/10/920487610.db2.gz ORNUZKKEUMQDGE-NWDGAFQWSA-N 1 1 324.385 -1.256 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001373400737 920489268 /nfs/dbraw/zinc/48/92/68/920489268.db2.gz DFBXZKFIANCZBB-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001373400737 920489279 /nfs/dbraw/zinc/48/92/79/920489279.db2.gz DFBXZKFIANCZBB-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(CCNC(=O)C1(NC(N)=O)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001373406568 920489527 /nfs/dbraw/zinc/48/95/27/920489527.db2.gz KWGBWJSHPGZBJE-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001373433140 920497245 /nfs/dbraw/zinc/49/72/45/920497245.db2.gz HCKRSOYRGDMYJY-VXGBXAGGSA-N 1 1 323.397 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001373448019 920500194 /nfs/dbraw/zinc/50/01/94/920500194.db2.gz VRFWUXBHTOEEGK-NSHDSACASA-N 1 1 320.415 -1.590 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373465352 920504820 /nfs/dbraw/zinc/50/48/20/920504820.db2.gz WYHLAELGVCVCKU-VHSXEESVSA-N 1 1 305.400 -1.239 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001373480803 920507052 /nfs/dbraw/zinc/50/70/52/920507052.db2.gz IWMGKBMGFATQKE-ZWNOBZJWSA-N 1 1 317.411 -1.237 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001373483173 920507690 /nfs/dbraw/zinc/50/76/90/920507690.db2.gz XGZVTPSHQNHRHT-SNVBAGLBSA-N 1 1 304.416 -1.712 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C[C@@H](O)COC)C2)C1 ZINC001373479940 920508801 /nfs/dbraw/zinc/50/88/01/920508801.db2.gz LPIGYBHRRMEKRU-CHWSQXEVSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C[C@@H](O)COC)C2)C1 ZINC001373479940 920508812 /nfs/dbraw/zinc/50/88/12/920508812.db2.gz LPIGYBHRRMEKRU-CHWSQXEVSA-N 1 1 301.387 -1.485 20 0 DAADMO CCCNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373496217 920510983 /nfs/dbraw/zinc/51/09/83/920510983.db2.gz IHDGPDODIILHHE-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CCCNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373496217 920510994 /nfs/dbraw/zinc/51/09/94/920510994.db2.gz IHDGPDODIILHHE-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001373507589 920514369 /nfs/dbraw/zinc/51/43/69/920514369.db2.gz IPNAVBIIXNPFBU-VIFPVBQESA-N 1 1 307.358 -1.612 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001373534503 920516621 /nfs/dbraw/zinc/51/66/21/920516621.db2.gz DNZYPEGVGFASPZ-BDAKNGLRSA-N 1 1 320.415 -1.893 20 0 DAADMO Cc1nonc1C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373537064 920517582 /nfs/dbraw/zinc/51/75/82/920517582.db2.gz UCIGEBWGVIPBIR-JTQLQIEISA-N 1 1 311.342 -1.103 20 0 DAADMO Cc1nonc1C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373537064 920517592 /nfs/dbraw/zinc/51/75/92/920517592.db2.gz UCIGEBWGVIPBIR-JTQLQIEISA-N 1 1 311.342 -1.103 20 0 DAADMO Cn1cnn(CC(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)c1=O ZINC001373519150 920517904 /nfs/dbraw/zinc/51/79/04/920517904.db2.gz LDEROHJXYUERTC-NSHDSACASA-N 1 1 322.369 -2.092 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001373540603 920518101 /nfs/dbraw/zinc/51/81/01/920518101.db2.gz XIFGTYPGXJLYNQ-NSHDSACASA-N 1 1 322.413 -1.002 20 0 DAADMO CCN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001373532940 920518659 /nfs/dbraw/zinc/51/86/59/920518659.db2.gz ZLVDDMHPKROVTK-GFCCVEGCSA-N 1 1 323.397 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001373562019 920523531 /nfs/dbraw/zinc/52/35/31/920523531.db2.gz YWABIFUHRCKZIA-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1cnnn1C ZINC001373561632 920523644 /nfs/dbraw/zinc/52/36/44/920523644.db2.gz MWBNYAMAGRMKOG-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001373564623 920523854 /nfs/dbraw/zinc/52/38/54/920523854.db2.gz CCAYBSSATZAPAG-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001373564623 920523863 /nfs/dbraw/zinc/52/38/63/920523863.db2.gz CCAYBSSATZAPAG-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001373567036 920524861 /nfs/dbraw/zinc/52/48/61/920524861.db2.gz ZONLOMOPPCNJHV-SDDRHHMPSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001373574144 920526100 /nfs/dbraw/zinc/52/61/00/920526100.db2.gz YFAKWTPEQYIMOP-IHRRRGAJSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001373581899 920527355 /nfs/dbraw/zinc/52/73/55/920527355.db2.gz UWVZTTJLINAPLT-STQMWFEESA-N 1 1 309.370 -1.429 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN1CN=NC1=O ZINC001373575692 920527751 /nfs/dbraw/zinc/52/77/51/920527751.db2.gz YYQZZQDFFUJTIR-LLVKDONJSA-N 1 1 324.385 -1.100 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)C1 ZINC001373571182 920528201 /nfs/dbraw/zinc/52/82/01/920528201.db2.gz OYZYDORQDIWHNU-MROQNXINSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCS(=O)(=O)N(C)C ZINC001373578612 920528279 /nfs/dbraw/zinc/52/82/79/920528279.db2.gz DPIXLTIWNVLOBF-WOPDTQHZSA-N 1 1 319.427 -1.066 20 0 DAADMO CN(CCNC(=O)Cc1cncn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373571732 920528475 /nfs/dbraw/zinc/52/84/75/920528475.db2.gz BBCSSTNKPFEJJH-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)Cc1cncn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373571732 920528481 /nfs/dbraw/zinc/52/84/81/920528481.db2.gz BBCSSTNKPFEJJH-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)OC ZINC001373579073 920528544 /nfs/dbraw/zinc/52/85/44/920528544.db2.gz IIQVZZJVXBOCRV-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)OC ZINC001373579073 920528551 /nfs/dbraw/zinc/52/85/51/920528551.db2.gz IIQVZZJVXBOCRV-DCAQKATOSA-N 1 1 305.400 -1.144 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373601320 920531153 /nfs/dbraw/zinc/53/11/53/920531153.db2.gz OLZNIQYCEDQKPA-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373601320 920531164 /nfs/dbraw/zinc/53/11/64/920531164.db2.gz OLZNIQYCEDQKPA-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001373599257 920531326 /nfs/dbraw/zinc/53/13/26/920531326.db2.gz GVUMGNSGKOBKNU-QWRGUYRKSA-N 1 1 320.415 -1.733 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001373607158 920534700 /nfs/dbraw/zinc/53/47/00/920534700.db2.gz OSDYKAQTQQXEMM-QWRGUYRKSA-N 1 1 300.359 -1.797 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373615883 920536321 /nfs/dbraw/zinc/53/63/21/920536321.db2.gz ZNWOMDAZTXNHCA-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373615883 920536335 /nfs/dbraw/zinc/53/63/35/920536335.db2.gz ZNWOMDAZTXNHCA-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001373625914 920538112 /nfs/dbraw/zinc/53/81/12/920538112.db2.gz NCPQWHPXYUPQNW-DTWKUNHWSA-N 1 1 300.359 -1.079 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001373625914 920538128 /nfs/dbraw/zinc/53/81/28/920538128.db2.gz NCPQWHPXYUPQNW-DTWKUNHWSA-N 1 1 300.359 -1.079 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001373621903 920538878 /nfs/dbraw/zinc/53/88/78/920538878.db2.gz WDKIIBKILWDEJY-GFCCVEGCSA-N 1 1 321.385 -1.116 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373631442 920540167 /nfs/dbraw/zinc/54/01/67/920540167.db2.gz YGCMIXWUWZODIW-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373631442 920540176 /nfs/dbraw/zinc/54/01/76/920540176.db2.gz YGCMIXWUWZODIW-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001373628025 920541308 /nfs/dbraw/zinc/54/13/08/920541308.db2.gz NCWHZQGXLCFDDR-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001373634408 920542224 /nfs/dbraw/zinc/54/22/24/920542224.db2.gz FLPXFXPPXVGMHA-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001373634408 920542232 /nfs/dbraw/zinc/54/22/32/920542232.db2.gz FLPXFXPPXVGMHA-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001373648163 920544699 /nfs/dbraw/zinc/54/46/99/920544699.db2.gz WPEBIXMXHWJOQX-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001373648163 920544710 /nfs/dbraw/zinc/54/47/10/920544710.db2.gz WPEBIXMXHWJOQX-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689340 920548422 /nfs/dbraw/zinc/54/84/22/920548422.db2.gz PSEUHJWWJSSJQK-ZJUUUORDSA-N 1 1 323.357 -1.606 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001373689340 920548428 /nfs/dbraw/zinc/54/84/28/920548428.db2.gz PSEUHJWWJSSJQK-ZJUUUORDSA-N 1 1 323.357 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001373688472 920548596 /nfs/dbraw/zinc/54/85/96/920548596.db2.gz PTOLIZMINJXECQ-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001373688472 920548604 /nfs/dbraw/zinc/54/86/04/920548604.db2.gz PTOLIZMINJXECQ-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001373667613 920550154 /nfs/dbraw/zinc/55/01/54/920550154.db2.gz SSFBBUYZAYBTEB-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1nnc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001373667613 920550167 /nfs/dbraw/zinc/55/01/67/920550167.db2.gz SSFBBUYZAYBTEB-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001373710487 920551978 /nfs/dbraw/zinc/55/19/78/920551978.db2.gz MXDPNOWTBCXZJS-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001373710494 920553019 /nfs/dbraw/zinc/55/30/19/920553019.db2.gz MXDPNOWTBCXZJS-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[C@H](CNC(=O)CNC(C)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001373721395 920554620 /nfs/dbraw/zinc/55/46/20/920554620.db2.gz BLZDEJSWIJMFLF-LLVKDONJSA-N 1 1 324.385 -1.071 20 0 DAADMO CC[C@@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001373764757 920557809 /nfs/dbraw/zinc/55/78/09/920557809.db2.gz VOMMRNDLECGNOE-VIFPVBQESA-N 1 1 318.403 -1.371 20 0 DAADMO CC[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001373756396 920558052 /nfs/dbraw/zinc/55/80/52/920558052.db2.gz PEDJZBPYRLZIDN-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001373756393 920559106 /nfs/dbraw/zinc/55/91/06/920559106.db2.gz PEDJZBPYRLZIDN-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cnon1 ZINC001373802152 920562917 /nfs/dbraw/zinc/56/29/17/920562917.db2.gz SKHNQALBISIBPY-JTQLQIEISA-N 1 1 311.342 -1.087 20 0 DAADMO CC[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001373811866 920565801 /nfs/dbraw/zinc/56/58/01/920565801.db2.gz FWUVEDWMJHHHAD-SECBINFHSA-N 1 1 324.341 -1.004 20 0 DAADMO CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)CNC(N)=O ZINC001373883634 920567710 /nfs/dbraw/zinc/56/77/10/920567710.db2.gz SFDWTAYKTRXHMJ-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001373960270 920571620 /nfs/dbraw/zinc/57/16/20/920571620.db2.gz ODVLOAANPBWYBV-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)nnn1C ZINC001373995677 920575091 /nfs/dbraw/zinc/57/50/91/920575091.db2.gz FXHMBEDJAJMTFS-MRVPVSSYSA-N 1 1 307.362 -1.197 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1nnn(C)n1 ZINC001374002223 920575128 /nfs/dbraw/zinc/57/51/28/920575128.db2.gz YBMWWTFVEJYMLG-QMMMGPOBSA-N 1 1 305.346 -1.262 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004877 920576952 /nfs/dbraw/zinc/57/69/52/920576952.db2.gz LKUMQABFJAXVSK-VHSXEESVSA-N 1 1 312.374 -1.317 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004877 920576957 /nfs/dbraw/zinc/57/69/57/920576957.db2.gz LKUMQABFJAXVSK-VHSXEESVSA-N 1 1 312.374 -1.317 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001374011399 920577011 /nfs/dbraw/zinc/57/70/11/920577011.db2.gz GDEDVLZUEOQNAY-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1noc(C[NH2+]C[C@@H](C)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001374039612 920577357 /nfs/dbraw/zinc/57/73/57/920577357.db2.gz SYQTXBHGBYKDRI-SECBINFHSA-N 1 1 323.357 -1.185 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001374083962 920579687 /nfs/dbraw/zinc/57/96/87/920579687.db2.gz KSKLHKMMLTZZHI-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001374083956 920580402 /nfs/dbraw/zinc/58/04/02/920580402.db2.gz KSKLHKMMLTZZHI-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1nnn(C)n1 ZINC001374105645 920582948 /nfs/dbraw/zinc/58/29/48/920582948.db2.gz KWNFTKAGDIKWHF-NSHDSACASA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCO1 ZINC001374132111 920584586 /nfs/dbraw/zinc/58/45/86/920584586.db2.gz ZZVCZSAVDJKACG-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374132064 920585148 /nfs/dbraw/zinc/58/51/48/920585148.db2.gz SVYFVELZVCANDH-SNVBAGLBSA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374132064 920585151 /nfs/dbraw/zinc/58/51/51/920585151.db2.gz SVYFVELZVCANDH-SNVBAGLBSA-N 1 1 324.403 -2.760 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374129766 920585364 /nfs/dbraw/zinc/58/53/64/920585364.db2.gz OZULGGMNXNPTEN-QWHCGFSZSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374129766 920585375 /nfs/dbraw/zinc/58/53/75/920585375.db2.gz OZULGGMNXNPTEN-QWHCGFSZSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001374123533 920586728 /nfs/dbraw/zinc/58/67/28/920586728.db2.gz YOIAGOZEAUFVQJ-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001374123535 920586939 /nfs/dbraw/zinc/58/69/39/920586939.db2.gz YOIAGOZEAUFVQJ-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC001374132097 920587256 /nfs/dbraw/zinc/58/72/56/920587256.db2.gz ZZVCZSAVDJKACG-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374148707 920589887 /nfs/dbraw/zinc/58/98/87/920589887.db2.gz IXEKKOBWXXJBOV-CYBMUJFWSA-N 1 1 324.381 -1.167 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374148707 920589900 /nfs/dbraw/zinc/58/99/00/920589900.db2.gz IXEKKOBWXXJBOV-CYBMUJFWSA-N 1 1 324.381 -1.167 20 0 DAADMO CC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CCCC1 ZINC001374140507 920590308 /nfs/dbraw/zinc/59/03/08/920590308.db2.gz BZYMBGRNBYIGBJ-UHFFFAOYSA-N 1 1 309.374 -1.135 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CNC(=O)C1CC1 ZINC001374200445 920591205 /nfs/dbraw/zinc/59/12/05/920591205.db2.gz FNXGQTGKZABIAU-SECBINFHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001374258374 920595795 /nfs/dbraw/zinc/59/57/95/920595795.db2.gz FAYXTHQBGDSRJL-SNVBAGLBSA-N 1 1 323.357 -1.008 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001374239524 920596491 /nfs/dbraw/zinc/59/64/91/920596491.db2.gz BBHDCVAPYCZIIQ-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001374324158 920602511 /nfs/dbraw/zinc/60/25/11/920602511.db2.gz FEZPXOGVYWSZPB-NWDGAFQWSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001374324159 920602588 /nfs/dbraw/zinc/60/25/88/920602588.db2.gz FEZPXOGVYWSZPB-RYUDHWBXSA-N 1 1 300.403 -1.124 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374487922 920607196 /nfs/dbraw/zinc/60/71/96/920607196.db2.gz SVFCYLQFLHUJGD-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374487922 920607211 /nfs/dbraw/zinc/60/72/11/920607211.db2.gz SVFCYLQFLHUJGD-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001374506866 920609155 /nfs/dbraw/zinc/60/91/55/920609155.db2.gz ZNDDMDODFKVFEI-NXEZZACHSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001374506866 920609168 /nfs/dbraw/zinc/60/91/68/920609168.db2.gz ZNDDMDODFKVFEI-NXEZZACHSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001374506867 920609372 /nfs/dbraw/zinc/60/93/72/920609372.db2.gz ZNDDMDODFKVFEI-UWVGGRQHSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001374506867 920609383 /nfs/dbraw/zinc/60/93/83/920609383.db2.gz ZNDDMDODFKVFEI-UWVGGRQHSA-N 1 1 324.385 -1.190 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001374489213 920609708 /nfs/dbraw/zinc/60/97/08/920609708.db2.gz BTLGAKNCXNAZNV-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001374489213 920609725 /nfs/dbraw/zinc/60/97/25/920609725.db2.gz BTLGAKNCXNAZNV-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001374530885 920611601 /nfs/dbraw/zinc/61/16/01/920611601.db2.gz YIYUXFALZVBUCQ-VXGBXAGGSA-N 1 1 324.385 -1.684 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374537356 920612102 /nfs/dbraw/zinc/61/21/02/920612102.db2.gz RPURVKIEEGLTLG-UPJWGTAASA-N 1 1 323.397 -1.244 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001374524824 920612421 /nfs/dbraw/zinc/61/24/21/920612421.db2.gz HEAKFJVFSWWVBL-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001374524824 920612432 /nfs/dbraw/zinc/61/24/32/920612432.db2.gz HEAKFJVFSWWVBL-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001374530878 920612867 /nfs/dbraw/zinc/61/28/67/920612867.db2.gz YIYUXFALZVBUCQ-NWDGAFQWSA-N 1 1 324.385 -1.684 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3cn[nH]n3)CC[C@H]21 ZINC001374561673 920615610 /nfs/dbraw/zinc/61/56/10/920615610.db2.gz LUGMCZZAFSWHEZ-WCBMZHEXSA-N 1 1 321.341 -1.464 20 0 DAADMO Cc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001374577862 920619006 /nfs/dbraw/zinc/61/90/06/920619006.db2.gz SCAFIGFZNRBARI-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001374577863 920619327 /nfs/dbraw/zinc/61/93/27/920619327.db2.gz SCAFIGFZNRBARI-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cccn2)nn1 ZINC001374579640 920622441 /nfs/dbraw/zinc/62/24/41/920622441.db2.gz HUVLSIYYRBSHNB-LBPRGKRZSA-N 1 1 307.358 -1.239 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001374579730 920623024 /nfs/dbraw/zinc/62/30/24/920623024.db2.gz ISXFBTPSLNSXEO-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)[nH]1 ZINC001374587566 920624327 /nfs/dbraw/zinc/62/43/27/920624327.db2.gz CNTBPIVZZAXHLH-SNVBAGLBSA-N 1 1 320.357 -1.080 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)nn1 ZINC001374585815 920624678 /nfs/dbraw/zinc/62/46/78/920624678.db2.gz URBLHHBEOQHOJJ-SECBINFHSA-N 1 1 305.360 -2.574 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)nnn1C ZINC001374588193 920625373 /nfs/dbraw/zinc/62/53/73/920625373.db2.gz MOAWRTXOCZKCPO-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374586065 920625472 /nfs/dbraw/zinc/62/54/72/920625472.db2.gz WOELIAQYJLASQR-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cccn1 ZINC001374588475 920626263 /nfs/dbraw/zinc/62/62/63/920626263.db2.gz SSYXLGTXCNXZKB-CMPLNLGQSA-N 1 1 307.358 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001374588618 920627866 /nfs/dbraw/zinc/62/78/66/920627866.db2.gz FYAVKMCNZRZOOI-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001374588725 920628102 /nfs/dbraw/zinc/62/81/02/920628102.db2.gz FYAVKMCNZRZOOI-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nnn1C ZINC001374588984 920628614 /nfs/dbraw/zinc/62/86/14/920628614.db2.gz OULCDBQCHGVZSS-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)ncn1 ZINC001374593233 920630655 /nfs/dbraw/zinc/63/06/55/920630655.db2.gz MFZKMKMYIREMNE-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)cn2)n1 ZINC001374594736 920631221 /nfs/dbraw/zinc/63/12/21/920631221.db2.gz SGJDUIBOPDSUIP-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)ncn1 ZINC001374593226 920631631 /nfs/dbraw/zinc/63/16/31/920631631.db2.gz MFZKMKMYIREMNE-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)n2cncn2)nn1 ZINC001374594854 920631720 /nfs/dbraw/zinc/63/17/20/920631720.db2.gz LTMHSEWHJFRIBV-JQWIXIFHSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)[nH]1 ZINC001374596309 920634256 /nfs/dbraw/zinc/63/42/56/920634256.db2.gz ZIQALAWDOMLMTQ-UWVGGRQHSA-N 1 1 311.342 -1.367 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001374595770 920634308 /nfs/dbraw/zinc/63/43/08/920634308.db2.gz XLCXOJNZNPNLHQ-NXEZZACHSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374599560 920634870 /nfs/dbraw/zinc/63/48/70/920634870.db2.gz JRTJRISQLZYHPY-VHSXEESVSA-N 1 1 322.373 -1.306 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001374597932 920635183 /nfs/dbraw/zinc/63/51/83/920635183.db2.gz ZHCWZHITFVGJPS-SMDDNHRTSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C1CCC(O)CC1 ZINC001374596734 920635287 /nfs/dbraw/zinc/63/52/87/920635287.db2.gz AUPOGXJOZDRDNS-MCIGGMRASA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)nn1 ZINC001374595766 920635328 /nfs/dbraw/zinc/63/53/28/920635328.db2.gz XKYYBISJUYSNKV-KOLCDFICSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001374596344 920635950 /nfs/dbraw/zinc/63/59/50/920635950.db2.gz RUELEDDJPXZIRF-LBPRGKRZSA-N 1 1 312.370 -1.118 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)[nH]1 ZINC001374596310 920635986 /nfs/dbraw/zinc/63/59/86/920635986.db2.gz ZIQALAWDOMLMTQ-VHSXEESVSA-N 1 1 311.342 -1.367 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1ncnn1)c1ncccn1 ZINC001374602957 920638888 /nfs/dbraw/zinc/63/88/88/920638888.db2.gz HBHPRJAOHQYKCG-ZJUUUORDSA-N 1 1 306.330 -1.709 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1)c1nncn1C ZINC001374599928 920639632 /nfs/dbraw/zinc/63/96/32/920639632.db2.gz FMCXUGBHGFHQPV-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374607276 920640839 /nfs/dbraw/zinc/64/08/39/920640839.db2.gz VKTCHMSHQDDPRD-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CCCn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001374606105 920640885 /nfs/dbraw/zinc/64/08/85/920640885.db2.gz AVGFALPJUDIQJP-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)[nH]1 ZINC001374604596 920641576 /nfs/dbraw/zinc/64/15/76/920641576.db2.gz YBHVLLUMDXLLJC-SECBINFHSA-N 1 1 308.346 -1.949 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374607374 920642010 /nfs/dbraw/zinc/64/20/10/920642010.db2.gz GVYVUMCPJAJCIV-VIFPVBQESA-N 1 1 317.371 -2.574 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001374613274 920643590 /nfs/dbraw/zinc/64/35/90/920643590.db2.gz CZEULHABTNZQQL-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)nn1 ZINC001374615582 920647269 /nfs/dbraw/zinc/64/72/69/920647269.db2.gz LECUWYCDXKXGAP-QJPTWQEYSA-N 1 1 319.369 -1.091 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CCNC(=O)C1 ZINC001374617472 920650827 /nfs/dbraw/zinc/65/08/27/920650827.db2.gz WJOHMQDNGADKHC-IAQYHMDHSA-N 1 1 321.381 -1.040 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)nn1 ZINC001374616009 920651052 /nfs/dbraw/zinc/65/10/52/920651052.db2.gz PEFMROJDSROZDQ-ZYHUDNBSSA-N 1 1 324.385 -1.702 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001374616766 920651729 /nfs/dbraw/zinc/65/17/29/920651729.db2.gz RKARUQWHPIQPRN-SECBINFHSA-N 1 1 322.373 -1.614 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001374618875 920653812 /nfs/dbraw/zinc/65/38/12/920653812.db2.gz XOBBRRGCYUOIKF-WDEREUQCSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001374620431 920653917 /nfs/dbraw/zinc/65/39/17/920653917.db2.gz FUULQZWYTKRFKK-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001374620431 920653925 /nfs/dbraw/zinc/65/39/25/920653925.db2.gz FUULQZWYTKRFKK-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001374626806 920656528 /nfs/dbraw/zinc/65/65/28/920656528.db2.gz VHGBWLSKZWPQIF-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001374623658 920656860 /nfs/dbraw/zinc/65/68/60/920656860.db2.gz XZERBLKQYBAIGM-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001374623658 920656872 /nfs/dbraw/zinc/65/68/72/920656872.db2.gz XZERBLKQYBAIGM-KOLCDFICSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)c2)[nH]1 ZINC001374625324 920657746 /nfs/dbraw/zinc/65/77/46/920657746.db2.gz QQSXDCUHFFJTHV-NSHDSACASA-N 1 1 320.353 -1.308 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001374628371 920659987 /nfs/dbraw/zinc/65/99/87/920659987.db2.gz KWJCCKCDEYLKGB-UHFFFAOYSA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001374628919 920660336 /nfs/dbraw/zinc/66/03/36/920660336.db2.gz IUTDXZMDVCXZMD-RXSPXGNFSA-N 1 1 321.381 -1.195 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001374633185 920661989 /nfs/dbraw/zinc/66/19/89/920661989.db2.gz MWKCNSLJQULWIE-MNOVXSKESA-N 1 1 322.369 -1.625 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374647786 920670796 /nfs/dbraw/zinc/67/07/96/920670796.db2.gz CHMRWTWCUWGVOO-NEPJUHHUSA-N 1 1 312.374 -1.704 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1)C(=O)N(C)C ZINC001374646648 920670864 /nfs/dbraw/zinc/67/08/64/920670864.db2.gz QYJFKMIBORDECI-IUCAKERBSA-N 1 1 313.358 -1.717 20 0 DAADMO C[C@H](CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)NC(N)=O ZINC001374649671 920671395 /nfs/dbraw/zinc/67/13/95/920671395.db2.gz ORXQGONZXXGTFS-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1)C(=O)N(C)C ZINC001374646642 920671486 /nfs/dbraw/zinc/67/14/86/920671486.db2.gz QYJFKMIBORDECI-BDAKNGLRSA-N 1 1 313.358 -1.717 20 0 DAADMO C[C@@H](CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)NC(N)=O ZINC001374649658 920671631 /nfs/dbraw/zinc/67/16/31/920671631.db2.gz ORXQGONZXXGTFS-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO COc1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)c(C)n1 ZINC001374654865 920675385 /nfs/dbraw/zinc/67/53/85/920675385.db2.gz BKNQEAABQRPJTG-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO COc1ncc(C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)c(C)n1 ZINC001374654865 920675392 /nfs/dbraw/zinc/67/53/92/920675392.db2.gz BKNQEAABQRPJTG-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001374658640 920677849 /nfs/dbraw/zinc/67/78/49/920677849.db2.gz CNSAQZJKFFSGTC-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)nn1 ZINC001374658199 920679187 /nfs/dbraw/zinc/67/91/87/920679187.db2.gz RGKZETHFOLJXQS-MWLCHTKSSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)nn1 ZINC001374658202 920679208 /nfs/dbraw/zinc/67/92/08/920679208.db2.gz RGKZETHFOLJXQS-ONGXEEELSA-N 1 1 310.358 -1.950 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001374663599 920680334 /nfs/dbraw/zinc/68/03/34/920680334.db2.gz UBMVWMQYFBVMGO-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001374667637 920680845 /nfs/dbraw/zinc/68/08/45/920680845.db2.gz WQIADBZDTPHUDG-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001374662211 920681240 /nfs/dbraw/zinc/68/12/40/920681240.db2.gz VFAGZXAOVBFXRL-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nc[nH]n2)nc1 ZINC001374665064 920681326 /nfs/dbraw/zinc/68/13/26/920681326.db2.gz CPAQLJOIGFIYJN-SNVBAGLBSA-N 1 1 305.342 -1.287 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2nc[nH]n2)n1 ZINC001374666856 920681508 /nfs/dbraw/zinc/68/15/08/920681508.db2.gz PMAATZCNWIECPZ-JTQLQIEISA-N 1 1 308.346 -1.775 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)NC1CC1 ZINC001374665790 920682027 /nfs/dbraw/zinc/68/20/27/920682027.db2.gz HNGUCBFXXNTCEB-WCBMZHEXSA-N 1 1 310.358 -1.919 20 0 DAADMO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001374668049 920682147 /nfs/dbraw/zinc/68/21/47/920682147.db2.gz YXDQDZPLCSHGLG-GXSJLCMTSA-N 1 1 322.369 -1.129 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2cncn2C)nn1 ZINC001374667167 920682380 /nfs/dbraw/zinc/68/23/80/920682380.db2.gz BOLJSLDXAWXLDD-LBPRGKRZSA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)n(C)c1=O ZINC001374678265 920686997 /nfs/dbraw/zinc/68/69/97/920686997.db2.gz TUARGMAHUAIVNF-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001374673207 920688119 /nfs/dbraw/zinc/68/81/19/920688119.db2.gz SWHRRENMHIQFFD-AOOOYVTPSA-N 1 1 311.386 -1.146 20 0 DAADMO CCN1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001374686096 920694399 /nfs/dbraw/zinc/69/43/99/920694399.db2.gz SBPUFPRMWTWNLB-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001374711874 920697160 /nfs/dbraw/zinc/69/71/60/920697160.db2.gz NTDWRJQASSJOHO-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(C)[C@H](C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1)[NH+](C)C ZINC001374728164 920698940 /nfs/dbraw/zinc/69/89/40/920698940.db2.gz IUMORZUKGRNICA-GFCCVEGCSA-N 1 1 319.427 -1.056 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)CS(C)(=O)=O ZINC001374736687 920702179 /nfs/dbraw/zinc/70/21/79/920702179.db2.gz CNIORGMQSBBEBE-SECBINFHSA-N 1 1 321.378 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CCn3cnnn3)C2)C1 ZINC001374746355 920705280 /nfs/dbraw/zinc/70/52/80/920705280.db2.gz ZQIJMFREVQTFFI-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001374774413 920706360 /nfs/dbraw/zinc/70/63/60/920706360.db2.gz HUQHGXGVJUJIFJ-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)COCc1nccn1C ZINC001374776654 920708218 /nfs/dbraw/zinc/70/82/18/920708218.db2.gz SRWMCHGMQUKUSC-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374812119 920714647 /nfs/dbraw/zinc/71/46/47/920714647.db2.gz MVTMKQGTBFAVQK-JTQLQIEISA-N 1 1 313.358 -2.440 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374812119 920714663 /nfs/dbraw/zinc/71/46/63/920714663.db2.gz MVTMKQGTBFAVQK-JTQLQIEISA-N 1 1 313.358 -2.440 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)[C@H]1CNC(=O)N1 ZINC001374807763 920716142 /nfs/dbraw/zinc/71/61/42/920716142.db2.gz KEEUHOKBKYVPOR-NXEZZACHSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)C(C)(C)C ZINC001374841913 920717905 /nfs/dbraw/zinc/71/79/05/920717905.db2.gz FZMJPMBOPVQYRO-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC001374837097 920718628 /nfs/dbraw/zinc/71/86/28/920718628.db2.gz WIAONSMZLZFXBB-ZYHUDNBSSA-N 1 1 321.385 -1.412 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001374879410 920723836 /nfs/dbraw/zinc/72/38/36/920723836.db2.gz VIPZAGRHKMFIHS-UHFFFAOYSA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCCNC1=O ZINC001374905586 920726691 /nfs/dbraw/zinc/72/66/91/920726691.db2.gz IZBVKCKQZYUPIX-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001374920307 920729032 /nfs/dbraw/zinc/72/90/32/920729032.db2.gz AMMLDVNRASJZPB-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nccs1 ZINC001374920534 920729891 /nfs/dbraw/zinc/72/98/91/920729891.db2.gz NRWVVZHIHWBKDG-QMMMGPOBSA-N 1 1 321.428 -1.209 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ncccn1)C(N)=O ZINC001374941475 920732598 /nfs/dbraw/zinc/73/25/98/920732598.db2.gz YFQGVKODFBSPTC-ONGXEEELSA-N 1 1 322.369 -1.549 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001374967260 920733717 /nfs/dbraw/zinc/73/37/17/920733717.db2.gz QZYIVDYRIRNLKN-QMMMGPOBSA-N 1 1 323.357 -1.124 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001375007419 920735314 /nfs/dbraw/zinc/73/53/14/920735314.db2.gz GHFPECXLRCHMMR-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001375007419 920735329 /nfs/dbraw/zinc/73/53/29/920735329.db2.gz GHFPECXLRCHMMR-QMMMGPOBSA-N 1 1 317.346 -1.766 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003247 920736562 /nfs/dbraw/zinc/73/65/62/920736562.db2.gz QPUMAZIQTAVTPP-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003247 920736575 /nfs/dbraw/zinc/73/65/75/920736575.db2.gz QPUMAZIQTAVTPP-NXEZZACHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003249 920736999 /nfs/dbraw/zinc/73/69/99/920736999.db2.gz QPUMAZIQTAVTPP-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001375003249 920737010 /nfs/dbraw/zinc/73/70/10/920737010.db2.gz QPUMAZIQTAVTPP-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001375033278 920738034 /nfs/dbraw/zinc/73/80/34/920738034.db2.gz WEBURNFCTOVODA-ZJUUUORDSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001375033278 920738044 /nfs/dbraw/zinc/73/80/44/920738044.db2.gz WEBURNFCTOVODA-ZJUUUORDSA-N 1 1 321.399 -1.034 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038160 920738346 /nfs/dbraw/zinc/73/83/46/920738346.db2.gz UKKNJDCLZSCICY-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001375038160 920738352 /nfs/dbraw/zinc/73/83/52/920738352.db2.gz UKKNJDCLZSCICY-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001375033558 920738617 /nfs/dbraw/zinc/73/86/17/920738617.db2.gz YAYTXLYFBVFHDG-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001375033558 920738629 /nfs/dbraw/zinc/73/86/29/920738629.db2.gz YAYTXLYFBVFHDG-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033559 920739351 /nfs/dbraw/zinc/73/93/51/920739351.db2.gz YAYTXLYFBVFHDG-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033559 920739362 /nfs/dbraw/zinc/73/93/62/920739362.db2.gz YAYTXLYFBVFHDG-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)Cn1ncnn1 ZINC001375037316 920739909 /nfs/dbraw/zinc/73/99/09/920739909.db2.gz LAFUIHUKJXHCJA-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1ccnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375068435 920741074 /nfs/dbraw/zinc/74/10/74/920741074.db2.gz IAYLDKCZPOBVOQ-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375068435 920741089 /nfs/dbraw/zinc/74/10/89/920741089.db2.gz IAYLDKCZPOBVOQ-NSHDSACASA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375061189 920741740 /nfs/dbraw/zinc/74/17/40/920741740.db2.gz QRQZARSYHRZTQV-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375061189 920741751 /nfs/dbraw/zinc/74/17/51/920741751.db2.gz QRQZARSYHRZTQV-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064403 920741883 /nfs/dbraw/zinc/74/18/83/920741883.db2.gz ZEBOIDHPIGWNDH-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064403 920741893 /nfs/dbraw/zinc/74/18/93/920741893.db2.gz ZEBOIDHPIGWNDH-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001375059105 920742122 /nfs/dbraw/zinc/74/21/22/920742122.db2.gz ZXBRTKSJRBENGH-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001375059105 920742130 /nfs/dbraw/zinc/74/21/30/920742130.db2.gz ZXBRTKSJRBENGH-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001375045040 920742241 /nfs/dbraw/zinc/74/22/41/920742241.db2.gz KYKFDPNLEGEWSS-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001375045040 920742249 /nfs/dbraw/zinc/74/22/49/920742249.db2.gz KYKFDPNLEGEWSS-VIFPVBQESA-N 1 1 300.359 -1.077 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375045850 920742637 /nfs/dbraw/zinc/74/26/37/920742637.db2.gz ILIWUWGSRCONID-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375045850 920742651 /nfs/dbraw/zinc/74/26/51/920742651.db2.gz ILIWUWGSRCONID-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001375067477 920743270 /nfs/dbraw/zinc/74/32/70/920743270.db2.gz CMZPCMUJRQNTHA-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001375067477 920743287 /nfs/dbraw/zinc/74/32/87/920743287.db2.gz CMZPCMUJRQNTHA-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001375066060 920743690 /nfs/dbraw/zinc/74/36/90/920743690.db2.gz UVSGRDDWBFKZRT-IUCAKERBSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001375066060 920743706 /nfs/dbraw/zinc/74/37/06/920743706.db2.gz UVSGRDDWBFKZRT-IUCAKERBSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001375066058 920744002 /nfs/dbraw/zinc/74/40/02/920744002.db2.gz UVSGRDDWBFKZRT-BDAKNGLRSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001375066058 920744011 /nfs/dbraw/zinc/74/40/11/920744011.db2.gz UVSGRDDWBFKZRT-BDAKNGLRSA-N 1 1 315.374 -2.451 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001375090186 920745057 /nfs/dbraw/zinc/74/50/57/920745057.db2.gz UZFWUMRYWQADEM-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001375091522 920745166 /nfs/dbraw/zinc/74/51/66/920745166.db2.gz XLSHOPXZWMBCQN-WDEREUQCSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001375091317 920747062 /nfs/dbraw/zinc/74/70/62/920747062.db2.gz XLSHOPXZWMBCQN-MNOVXSKESA-N 1 1 309.374 -1.262 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375097598 920747570 /nfs/dbraw/zinc/74/75/70/920747570.db2.gz YLFAMSKCVZARIZ-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375097598 920747573 /nfs/dbraw/zinc/74/75/73/920747573.db2.gz YLFAMSKCVZARIZ-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132074 920749268 /nfs/dbraw/zinc/74/92/68/920749268.db2.gz JMBLLITULFHFMY-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)COCc1nncn1C ZINC001375132074 920749284 /nfs/dbraw/zinc/74/92/84/920749284.db2.gz JMBLLITULFHFMY-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375151916 920749462 /nfs/dbraw/zinc/74/94/62/920749462.db2.gz BAVWQVZQFGXANO-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375151916 920749478 /nfs/dbraw/zinc/74/94/78/920749478.db2.gz BAVWQVZQFGXANO-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC1CC1 ZINC001375152413 920750050 /nfs/dbraw/zinc/75/00/50/920750050.db2.gz DVBCIIZVNSTSQC-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC1CC1 ZINC001375152413 920750061 /nfs/dbraw/zinc/75/00/61/920750061.db2.gz DVBCIIZVNSTSQC-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001375132240 920750099 /nfs/dbraw/zinc/75/00/99/920750099.db2.gz MYVNYVRJISEPIM-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001375132240 920750114 /nfs/dbraw/zinc/75/01/14/920750114.db2.gz MYVNYVRJISEPIM-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O)c(=O)n1 ZINC001375138163 920750190 /nfs/dbraw/zinc/75/01/90/920750190.db2.gz XSQBCKZVLZCFRR-SNVBAGLBSA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)c(=O)n1 ZINC001375138163 920750194 /nfs/dbraw/zinc/75/01/94/920750194.db2.gz XSQBCKZVLZCFRR-SNVBAGLBSA-N 1 1 309.370 -1.218 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001375125317 920750432 /nfs/dbraw/zinc/75/04/32/920750432.db2.gz CLMKHSYDNXMGDQ-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CN(C)CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375151894 920750593 /nfs/dbraw/zinc/75/05/93/920750593.db2.gz ATMGTQSRBUPYHX-RYUDHWBXSA-N 1 1 320.459 -1.076 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)c1N ZINC001375211102 920753787 /nfs/dbraw/zinc/75/37/87/920753787.db2.gz HKOMAISCXWFCSO-JTQLQIEISA-N 1 1 319.373 -1.176 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001375309209 920763696 /nfs/dbraw/zinc/76/36/96/920763696.db2.gz XUONBMZITPBYAJ-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001375309209 920763709 /nfs/dbraw/zinc/76/37/09/920763709.db2.gz XUONBMZITPBYAJ-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001375321162 920765275 /nfs/dbraw/zinc/76/52/75/920765275.db2.gz HQUBQMHBDJDVHD-QWRGUYRKSA-N 1 1 313.358 -2.220 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001375371950 920768591 /nfs/dbraw/zinc/76/85/91/920768591.db2.gz AJOVKDILRJABJS-MNOVXSKESA-N 1 1 310.354 -1.075 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCCO)C(N)=O ZINC001375349317 920770335 /nfs/dbraw/zinc/77/03/35/920770335.db2.gz NYBGEMVXFFRIMX-MNOVXSKESA-N 1 1 300.359 -2.061 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCCO)C1(n2cnnn2)CCOCC1 ZINC001375351925 920770813 /nfs/dbraw/zinc/77/08/13/920770813.db2.gz OEODUQIUUNBAFV-LBPRGKRZSA-N 1 1 324.385 -1.248 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001375396066 920773548 /nfs/dbraw/zinc/77/35/48/920773548.db2.gz ARPRDDCXLZQFFX-IUCAKERBSA-N 1 1 323.353 -1.344 20 0 DAADMO Cn1nncc1C[NH2+]C1(CNC(=O)CCS(C)(=O)=O)CC1 ZINC001375441086 920776627 /nfs/dbraw/zinc/77/66/27/920776627.db2.gz PQJVSYANNGSYQA-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCS(N)(=O)=O ZINC001375459978 920778146 /nfs/dbraw/zinc/77/81/46/920778146.db2.gz SGVMCFGSNHHMGG-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CCNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)COC)n1 ZINC001375593208 920786202 /nfs/dbraw/zinc/78/62/02/920786202.db2.gz AOHGMIWXBLOOPF-UHFFFAOYSA-N 1 1 311.342 -1.330 20 0 DAADMO COCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC(N)=O ZINC001375613848 920788410 /nfs/dbraw/zinc/78/84/10/920788410.db2.gz VDSDWSPMKPNRQH-YFKTTZPYSA-N 1 1 324.381 -1.004 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375609082 920788614 /nfs/dbraw/zinc/78/86/14/920788614.db2.gz VGIVORPNXYTMCV-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001375609082 920788619 /nfs/dbraw/zinc/78/86/19/920788619.db2.gz VGIVORPNXYTMCV-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCF)C1 ZINC001375626898 920788939 /nfs/dbraw/zinc/78/89/39/920788939.db2.gz CGZNTDHWBIAXJV-WDEREUQCSA-N 1 1 302.350 -1.077 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[C@H]([N@@H+](CCO)CCF)C1 ZINC001375626898 920788951 /nfs/dbraw/zinc/78/89/51/920788951.db2.gz CGZNTDHWBIAXJV-WDEREUQCSA-N 1 1 302.350 -1.077 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001375628092 920789149 /nfs/dbraw/zinc/78/91/49/920789149.db2.gz AVXBEAPMIZLHFK-GFCCVEGCSA-N 1 1 320.415 -2.043 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCF)C1 ZINC001375626885 920789556 /nfs/dbraw/zinc/78/95/56/920789556.db2.gz CGZNTDHWBIAXJV-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H]([N@@H+](CCO)CCF)C1 ZINC001375626885 920789563 /nfs/dbraw/zinc/78/95/63/920789563.db2.gz CGZNTDHWBIAXJV-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375620874 920789766 /nfs/dbraw/zinc/78/97/66/920789766.db2.gz DVVKQQBWUYMWOR-LBPRGKRZSA-N 1 1 314.386 -1.765 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375620874 920789779 /nfs/dbraw/zinc/78/97/79/920789779.db2.gz DVVKQQBWUYMWOR-LBPRGKRZSA-N 1 1 314.386 -1.765 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]1C ZINC001375661670 920792226 /nfs/dbraw/zinc/79/22/26/920792226.db2.gz VONQQIJVVCWBMV-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H]1C ZINC001375661670 920792233 /nfs/dbraw/zinc/79/22/33/920792233.db2.gz VONQQIJVVCWBMV-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)[C@@H]1C ZINC001375653308 920792466 /nfs/dbraw/zinc/79/24/66/920792466.db2.gz ZOOPYSOWZOVQHG-WOPDTQHZSA-N 1 1 316.402 -1.108 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375629811 920792822 /nfs/dbraw/zinc/79/28/22/920792822.db2.gz KBDKUQJATNABQN-SNVBAGLBSA-N 1 1 316.358 -1.887 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375629811 920792840 /nfs/dbraw/zinc/79/28/40/920792840.db2.gz KBDKUQJATNABQN-SNVBAGLBSA-N 1 1 316.358 -1.887 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H]1C ZINC001375648508 920792963 /nfs/dbraw/zinc/79/29/63/920792963.db2.gz REPZDFCLYTUUEW-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001375661041 920793092 /nfs/dbraw/zinc/79/30/92/920793092.db2.gz VIQGMQINOOZWHM-FZMZJTMJSA-N 1 1 323.397 -1.089 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001375662658 920794120 /nfs/dbraw/zinc/79/41/20/920794120.db2.gz WWYBQIWJNCPEFA-OUAUKWLOSA-N 1 1 311.386 -1.229 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001375662658 920794127 /nfs/dbraw/zinc/79/41/27/920794127.db2.gz WWYBQIWJNCPEFA-OUAUKWLOSA-N 1 1 311.386 -1.229 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+]1CC(=O)NC(N)=O ZINC001375659519 920794170 /nfs/dbraw/zinc/79/41/70/920794170.db2.gz LFPHGEAFYWBVJH-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@H+]1CC(=O)NC(N)=O ZINC001375659519 920794183 /nfs/dbraw/zinc/79/41/83/920794183.db2.gz LFPHGEAFYWBVJH-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO Cn1cc(CC(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)cn1 ZINC001375686451 920795510 /nfs/dbraw/zinc/79/55/10/920795510.db2.gz USRIRQAZIXEDHZ-UHFFFAOYSA-N 1 1 323.397 -1.267 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001375669283 920795798 /nfs/dbraw/zinc/79/57/98/920795798.db2.gz JLESIVPAFWLOPQ-UTUOFQBUSA-N 1 1 324.381 -1.020 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375685358 920796055 /nfs/dbraw/zinc/79/60/55/920796055.db2.gz ZKVTWLJXWNMULT-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001375683918 920796228 /nfs/dbraw/zinc/79/62/28/920796228.db2.gz FZMDXOFPJNQJPC-JTQLQIEISA-N 1 1 314.386 -1.584 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001375688955 920796833 /nfs/dbraw/zinc/79/68/33/920796833.db2.gz VVKSZUGQLSFUMF-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)CNC(=O)CNC(C)=O)C1 ZINC001375683924 920796999 /nfs/dbraw/zinc/79/69/99/920796999.db2.gz FZMDXOFPJNQJPC-SNVBAGLBSA-N 1 1 314.386 -1.584 20 0 DAADMO CC[C@H](C[NH+]1CC(N(C)C(=O)CNS(=O)(=O)NC)C1)OC ZINC001375697082 920800005 /nfs/dbraw/zinc/80/00/05/920800005.db2.gz ZLCSFWPMJDDKKT-LLVKDONJSA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001375742976 920802812 /nfs/dbraw/zinc/80/28/12/920802812.db2.gz KAJFXAOKEGFPLI-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001375757672 920804376 /nfs/dbraw/zinc/80/43/76/920804376.db2.gz TXOXUZAPKGDJKT-UWVGGRQHSA-N 1 1 324.389 -1.219 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001375746916 920805109 /nfs/dbraw/zinc/80/51/09/920805109.db2.gz VSGFOBKBJRXJQZ-KOLCDFICSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001375757682 920805361 /nfs/dbraw/zinc/80/53/61/920805361.db2.gz TXOXUZAPKGDJKT-ZJUUUORDSA-N 1 1 324.389 -1.219 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001375763577 920806755 /nfs/dbraw/zinc/80/67/55/920806755.db2.gz WHUXXVBBCCPCDY-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001375804188 920807222 /nfs/dbraw/zinc/80/72/22/920807222.db2.gz LJLWURIJJOEUOT-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001375804189 920807651 /nfs/dbraw/zinc/80/76/51/920807651.db2.gz LJLWURIJJOEUOT-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827966 920809512 /nfs/dbraw/zinc/80/95/12/920809512.db2.gz GTLQJJDXLWRKQB-QMTHXVAHSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCCNC2=O)C1 ZINC001375827966 920809524 /nfs/dbraw/zinc/80/95/24/920809524.db2.gz GTLQJJDXLWRKQB-QMTHXVAHSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001375835931 920809811 /nfs/dbraw/zinc/80/98/11/920809811.db2.gz IMMJOCSCFZSURC-RISCZKNCSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001375843526 920809961 /nfs/dbraw/zinc/80/99/61/920809961.db2.gz BJLBEWJOZCVJAK-ZWNOBZJWSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001375822375 920810085 /nfs/dbraw/zinc/81/00/85/920810085.db2.gz GXXNCJISCNEGLG-GFCCVEGCSA-N 1 1 305.346 -1.455 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001375822321 920810644 /nfs/dbraw/zinc/81/06/44/920810644.db2.gz GRJSBDMBONDWOZ-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001375834944 920810969 /nfs/dbraw/zinc/81/09/69/920810969.db2.gz ZIGSBFVVDATMJS-IINYFYTJSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001375834944 920810977 /nfs/dbraw/zinc/81/09/77/920810977.db2.gz ZIGSBFVVDATMJS-IINYFYTJSA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001375882014 920811715 /nfs/dbraw/zinc/81/17/15/920811715.db2.gz JOPFTYFHAWKPSL-TVQRCGJNSA-N 1 1 322.373 -1.780 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950309 920812181 /nfs/dbraw/zinc/81/21/81/920812181.db2.gz LAZFTOZALZRXRB-NOZJJQNGSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001375950309 920812190 /nfs/dbraw/zinc/81/21/90/920812190.db2.gz LAZFTOZALZRXRB-NOZJJQNGSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001375849486 920812960 /nfs/dbraw/zinc/81/29/60/920812960.db2.gz HVNVLLURIXPVSL-CMPLNLGQSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375856989 920813009 /nfs/dbraw/zinc/81/30/09/920813009.db2.gz XKRSUZCJONJBMJ-ZDUSSCGKSA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375856989 920813017 /nfs/dbraw/zinc/81/30/17/920813017.db2.gz XKRSUZCJONJBMJ-ZDUSSCGKSA-N 1 1 309.374 -1.046 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375855395 920813311 /nfs/dbraw/zinc/81/33/11/920813311.db2.gz PHDGHGQAAXGWIZ-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001375882016 920813937 /nfs/dbraw/zinc/81/39/37/920813937.db2.gz JOPFTYFHAWKPSL-ZANVPECISA-N 1 1 322.373 -1.780 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375992425 920815530 /nfs/dbraw/zinc/81/55/30/920815530.db2.gz AXLAVMLVCGYHCP-AWEZNQCLSA-N 1 1 313.354 -1.484 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375992425 920815538 /nfs/dbraw/zinc/81/55/38/920815538.db2.gz AXLAVMLVCGYHCP-AWEZNQCLSA-N 1 1 313.354 -1.484 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375995407 920815830 /nfs/dbraw/zinc/81/58/30/920815830.db2.gz IANPPMQTYINLDK-QMTHXVAHSA-N 1 1 313.354 -1.438 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001375994603 920816082 /nfs/dbraw/zinc/81/60/82/920816082.db2.gz GQLDLRKNHIXTGU-OCCSQVGLSA-N 1 1 324.385 -1.205 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375993168 920816112 /nfs/dbraw/zinc/81/61/12/920816112.db2.gz POBINLIJQRQDJP-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375993168 920816125 /nfs/dbraw/zinc/81/61/25/920816125.db2.gz POBINLIJQRQDJP-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375993166 920817086 /nfs/dbraw/zinc/81/70/86/920817086.db2.gz POBINLIJQRQDJP-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375993166 920817096 /nfs/dbraw/zinc/81/70/96/920817096.db2.gz POBINLIJQRQDJP-CYBMUJFWSA-N 1 1 300.359 -2.188 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001375994604 920817286 /nfs/dbraw/zinc/81/72/86/920817286.db2.gz GQLDLRKNHIXTGU-TZMCWYRMSA-N 1 1 324.385 -1.205 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001375990749 920817909 /nfs/dbraw/zinc/81/79/09/920817909.db2.gz UZFNLPJCKVQLDG-AAEUAGOBSA-N 1 1 320.411 -1.380 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001375990749 920817926 /nfs/dbraw/zinc/81/79/26/920817926.db2.gz UZFNLPJCKVQLDG-AAEUAGOBSA-N 1 1 320.411 -1.380 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001376000871 920819465 /nfs/dbraw/zinc/81/94/65/920819465.db2.gz CRFBLSGTJPZBDA-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001376000871 920819479 /nfs/dbraw/zinc/81/94/79/920819479.db2.gz CRFBLSGTJPZBDA-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376005305 920819870 /nfs/dbraw/zinc/81/98/70/920819870.db2.gz KJTCIBKKIYNUJR-PWSUYJOCSA-N 1 1 324.399 -2.409 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001375996848 920819551 /nfs/dbraw/zinc/81/95/51/920819551.db2.gz KIQGPTGIPAPEQY-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001375996848 920819568 /nfs/dbraw/zinc/81/95/68/920819568.db2.gz KIQGPTGIPAPEQY-CQSZACIVSA-N 1 1 312.370 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376005305 920819879 /nfs/dbraw/zinc/81/98/79/920819879.db2.gz KJTCIBKKIYNUJR-PWSUYJOCSA-N 1 1 324.399 -2.409 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001375999327 920819984 /nfs/dbraw/zinc/81/99/84/920819984.db2.gz VDPWFYGFNGRCRD-MFKMUULPSA-N 1 1 323.357 -2.495 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376002058 920820021 /nfs/dbraw/zinc/82/00/21/920820021.db2.gz APEAAXMDAFPDFY-CYBMUJFWSA-N 1 1 305.342 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn[nH]2)C1 ZINC001376002058 920820028 /nfs/dbraw/zinc/82/00/28/920820028.db2.gz APEAAXMDAFPDFY-CYBMUJFWSA-N 1 1 305.342 -1.095 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001376003631 920820290 /nfs/dbraw/zinc/82/02/90/920820290.db2.gz DHFYWEKOXOXEIH-JOYOIKCWSA-N 1 1 316.383 -1.288 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001376005157 920820699 /nfs/dbraw/zinc/82/06/99/920820699.db2.gz JZBUPVMLSWTQER-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001376005157 920820710 /nfs/dbraw/zinc/82/07/10/920820710.db2.gz JZBUPVMLSWTQER-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997065 920821007 /nfs/dbraw/zinc/82/10/07/920821007.db2.gz XSLIPUPTSBTARN-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001375997065 920821022 /nfs/dbraw/zinc/82/10/22/920821022.db2.gz XSLIPUPTSBTARN-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001376001447 920821167 /nfs/dbraw/zinc/82/11/67/920821167.db2.gz DVOBDVWHYUAABB-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)[nH]1 ZINC001376001447 920821176 /nfs/dbraw/zinc/82/11/76/920821176.db2.gz DVOBDVWHYUAABB-AWEZNQCLSA-N 1 1 309.370 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CCOCC2)C1 ZINC001375999166 920821471 /nfs/dbraw/zinc/82/14/71/920821471.db2.gz SQDQQEFXPGURHQ-ZFWWWQNUSA-N 1 1 316.398 -1.027 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376005426 920821586 /nfs/dbraw/zinc/82/15/86/920821586.db2.gz IBMKJHGORQMCDO-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001376005426 920821598 /nfs/dbraw/zinc/82/15/98/920821598.db2.gz IBMKJHGORQMCDO-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001375999947 920822353 /nfs/dbraw/zinc/82/23/53/920822353.db2.gz XKAODKHBYBEHHH-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001375999947 920822364 /nfs/dbraw/zinc/82/23/64/920822364.db2.gz XKAODKHBYBEHHH-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001376029702 920824080 /nfs/dbraw/zinc/82/40/80/920824080.db2.gz CFORISXSUQVHGK-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CN(C(=O)c1cn(C)nn1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001376012090 920824703 /nfs/dbraw/zinc/82/47/03/920824703.db2.gz JEPBSSPRLHDHLT-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001376007884 920825960 /nfs/dbraw/zinc/82/59/60/920825960.db2.gz MPQPOAYPIRAKIK-SWLSCSKDSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1cnn(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001376007884 920825977 /nfs/dbraw/zinc/82/59/77/920825977.db2.gz MPQPOAYPIRAKIK-SWLSCSKDSA-N 1 1 321.381 -1.367 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001376030998 920827787 /nfs/dbraw/zinc/82/77/87/920827787.db2.gz DXLOEKGXJRIEGK-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001376032577 920828369 /nfs/dbraw/zinc/82/83/69/920828369.db2.gz HLWUJFQUNBNBCZ-CQSZACIVSA-N 1 1 324.385 -1.598 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001376032577 920828381 /nfs/dbraw/zinc/82/83/81/920828381.db2.gz HLWUJFQUNBNBCZ-CQSZACIVSA-N 1 1 324.385 -1.598 20 0 DAADMO Cc1c(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cnn1C ZINC001376039018 920828411 /nfs/dbraw/zinc/82/84/11/920828411.db2.gz BPRVGRZAFXDFKM-NHYWBVRUSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1c(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cnn1C ZINC001376039018 920828422 /nfs/dbraw/zinc/82/84/22/920828422.db2.gz BPRVGRZAFXDFKM-NHYWBVRUSA-N 1 1 323.397 -1.302 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC001376039167 920828838 /nfs/dbraw/zinc/82/88/38/920828838.db2.gz PUESGEAROOYZRU-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC001376039167 920828842 /nfs/dbraw/zinc/82/88/42/920828842.db2.gz PUESGEAROOYZRU-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO Cc1c(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cnn1C ZINC001376039008 920829020 /nfs/dbraw/zinc/82/90/20/920829020.db2.gz BPRVGRZAFXDFKM-ABAIWWIYSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1c(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cnn1C ZINC001376039008 920829035 /nfs/dbraw/zinc/82/90/35/920829035.db2.gz BPRVGRZAFXDFKM-ABAIWWIYSA-N 1 1 323.397 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376032661 920829530 /nfs/dbraw/zinc/82/95/30/920829530.db2.gz HSLWTNISJHPCBB-GWCFXTLKSA-N 1 1 313.358 -2.011 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001376037282 920830178 /nfs/dbraw/zinc/83/01/78/920830178.db2.gz QLUWVHDIEKTVGQ-TZMCWYRMSA-N 1 1 310.354 -1.350 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001376030990 920830318 /nfs/dbraw/zinc/83/03/18/920830318.db2.gz DXLOEKGXJRIEGK-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001376034496 920830682 /nfs/dbraw/zinc/83/06/82/920830682.db2.gz JYRKZXFDFFSNBT-MEBBXXQBSA-N 1 1 321.381 -1.132 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001376034496 920830687 /nfs/dbraw/zinc/83/06/87/920830687.db2.gz JYRKZXFDFFSNBT-MEBBXXQBSA-N 1 1 321.381 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001376034499 920830790 /nfs/dbraw/zinc/83/07/90/920830790.db2.gz JYRKZXFDFFSNBT-ZUZCIYMTSA-N 1 1 321.381 -1.132 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001376034499 920830796 /nfs/dbraw/zinc/83/07/96/920830796.db2.gz JYRKZXFDFFSNBT-ZUZCIYMTSA-N 1 1 321.381 -1.132 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001376039565 920831034 /nfs/dbraw/zinc/83/10/34/920831034.db2.gz RKYLOJWSZFYLCT-CQSZACIVSA-N 1 1 324.385 -1.315 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001376039565 920831041 /nfs/dbraw/zinc/83/10/41/920831041.db2.gz RKYLOJWSZFYLCT-CQSZACIVSA-N 1 1 324.385 -1.315 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnn2c1OCCC2 ZINC001376046095 920832926 /nfs/dbraw/zinc/83/29/26/920832926.db2.gz MGXTUCBZZCYYHV-CQSZACIVSA-N 1 1 310.354 -1.176 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376042870 920832965 /nfs/dbraw/zinc/83/29/65/920832965.db2.gz BDGKMHRBIYNGAH-ZFWWWQNUSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1ccnc2ccnn21 ZINC001376042863 920833419 /nfs/dbraw/zinc/83/34/19/920833419.db2.gz MYLGIGZRCXIRPV-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376047113 920833452 /nfs/dbraw/zinc/83/34/52/920833452.db2.gz IJZYGJGJAHQVAK-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376047113 920833461 /nfs/dbraw/zinc/83/34/61/920833461.db2.gz IJZYGJGJAHQVAK-AAEUAGOBSA-N 1 1 320.411 -1.501 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001376040764 920833767 /nfs/dbraw/zinc/83/37/67/920833767.db2.gz USBBDRDXRYKBEZ-MFKMUULPSA-N 1 1 302.375 -1.497 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001376043389 920834277 /nfs/dbraw/zinc/83/42/77/920834277.db2.gz DPUNXCNQFFIYDT-QMTHXVAHSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001376043389 920834283 /nfs/dbraw/zinc/83/42/83/920834283.db2.gz DPUNXCNQFFIYDT-QMTHXVAHSA-N 1 1 312.370 -1.917 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001376043944 920835229 /nfs/dbraw/zinc/83/52/29/920835229.db2.gz GCAMZWGXTRELSW-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001376043944 920835250 /nfs/dbraw/zinc/83/52/50/920835250.db2.gz GCAMZWGXTRELSW-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001376043380 920835339 /nfs/dbraw/zinc/83/53/39/920835339.db2.gz DPUNXCNQFFIYDT-HZMBPMFUSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001376043380 920835352 /nfs/dbraw/zinc/83/53/52/920835352.db2.gz DPUNXCNQFFIYDT-HZMBPMFUSA-N 1 1 312.370 -1.917 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376042049 920835922 /nfs/dbraw/zinc/83/59/22/920835922.db2.gz ZATLBQQKFDKXJX-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001376040862 920835954 /nfs/dbraw/zinc/83/59/54/920835954.db2.gz VEKJOKAFBSBVAE-SWLSCSKDSA-N 1 1 312.414 -1.101 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001376041228 920836167 /nfs/dbraw/zinc/83/61/67/920836167.db2.gz ZDERTYAQNRNCIW-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001376062570 920837067 /nfs/dbraw/zinc/83/70/67/920837067.db2.gz YCUWUSOIIFESDD-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001376062570 920837077 /nfs/dbraw/zinc/83/70/77/920837077.db2.gz YCUWUSOIIFESDD-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nc1 ZINC001376052406 920837492 /nfs/dbraw/zinc/83/74/92/920837492.db2.gz ZKALWPGLLWZQME-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nc1 ZINC001376052406 920837509 /nfs/dbraw/zinc/83/75/09/920837509.db2.gz ZKALWPGLLWZQME-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048122 920838756 /nfs/dbraw/zinc/83/87/56/920838756.db2.gz ITNSGDAQVIXEBZ-NFAWXSAZSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048122 920838775 /nfs/dbraw/zinc/83/87/75/920838775.db2.gz ITNSGDAQVIXEBZ-NFAWXSAZSA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001376055160 920838822 /nfs/dbraw/zinc/83/88/22/920838822.db2.gz WQUXZKYOENYFGL-ZWNOBZJWSA-N 1 1 310.358 -1.587 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H]3CCOC3)C2)n1 ZINC001376055158 920840156 /nfs/dbraw/zinc/84/01/56/920840156.db2.gz WQUXZKYOENYFGL-MFKMUULPSA-N 1 1 310.358 -1.587 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001376056007 920840548 /nfs/dbraw/zinc/84/05/48/920840548.db2.gz UZPIZURMWZCYJD-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048126 920840619 /nfs/dbraw/zinc/84/06/19/920840619.db2.gz ITNSGDAQVIXEBZ-UMVBOHGHSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048126 920840628 /nfs/dbraw/zinc/84/06/28/920840628.db2.gz ITNSGDAQVIXEBZ-UMVBOHGHSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001376056003 920841065 /nfs/dbraw/zinc/84/10/65/920841065.db2.gz UZPIZURMWZCYJD-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCO)C1)C(N)=O ZINC001376067353 920842234 /nfs/dbraw/zinc/84/22/34/920842234.db2.gz QIKYFTWVKJMONB-QWRGUYRKSA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066439 920843280 /nfs/dbraw/zinc/84/32/80/920843280.db2.gz BDPLHQWFSVKCEV-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066439 920843291 /nfs/dbraw/zinc/84/32/91/920843291.db2.gz BDPLHQWFSVKCEV-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001376075382 920844849 /nfs/dbraw/zinc/84/48/49/920844849.db2.gz CCMTZHFTMZODJC-SMDDNHRTSA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CC(=O)NC(N)=O)C2)C1 ZINC001376071214 920844999 /nfs/dbraw/zinc/84/49/99/920844999.db2.gz KRDNFXCXHZRXHM-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nccn3ccnc23)C1 ZINC001376081402 920847457 /nfs/dbraw/zinc/84/74/57/920847457.db2.gz QAZFGQDKPVRWPM-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccn3ccnc23)C1 ZINC001376081402 920847465 /nfs/dbraw/zinc/84/74/65/920847465.db2.gz QAZFGQDKPVRWPM-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001376085229 920849318 /nfs/dbraw/zinc/84/93/18/920849318.db2.gz ZDHHPJSNHQIDGT-XUJVJEKNSA-N 1 1 321.381 -1.406 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001376085229 920849338 /nfs/dbraw/zinc/84/93/38/920849338.db2.gz ZDHHPJSNHQIDGT-XUJVJEKNSA-N 1 1 321.381 -1.406 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001376085772 920849445 /nfs/dbraw/zinc/84/94/45/920849445.db2.gz CMDNJBYYXQKRDF-QMTHXVAHSA-N 1 1 322.369 -1.821 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001376091380 920851399 /nfs/dbraw/zinc/85/13/99/920851399.db2.gz PHAKQFIVPHMTJO-ZDUSSCGKSA-N 1 1 319.427 -1.710 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001376094640 920851531 /nfs/dbraw/zinc/85/15/31/920851531.db2.gz LTQBBNLWHXDNNG-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376094640 920851545 /nfs/dbraw/zinc/85/15/45/920851545.db2.gz LTQBBNLWHXDNNG-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001376097234 920852225 /nfs/dbraw/zinc/85/22/25/920852225.db2.gz OZFDGAXLBPIVOZ-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001376097234 920852234 /nfs/dbraw/zinc/85/22/34/920852234.db2.gz OZFDGAXLBPIVOZ-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001376094650 920852773 /nfs/dbraw/zinc/85/27/73/920852773.db2.gz LTQBBNLWHXDNNG-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376094650 920852791 /nfs/dbraw/zinc/85/27/91/920852791.db2.gz LTQBBNLWHXDNNG-ZYHUDNBSSA-N 1 1 308.400 -1.645 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376096223 920852969 /nfs/dbraw/zinc/85/29/69/920852969.db2.gz SHPWUWZPKRSZDS-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376092367 920853814 /nfs/dbraw/zinc/85/38/14/920853814.db2.gz PAXRANFUTBZINW-NHYWBVRUSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376092367 920853824 /nfs/dbraw/zinc/85/38/24/920853824.db2.gz PAXRANFUTBZINW-NHYWBVRUSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376092361 920854285 /nfs/dbraw/zinc/85/42/85/920854285.db2.gz PAXRANFUTBZINW-ABAIWWIYSA-N 1 1 323.397 -1.363 20 0 DAADMO C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376092361 920854300 /nfs/dbraw/zinc/85/43/00/920854300.db2.gz PAXRANFUTBZINW-ABAIWWIYSA-N 1 1 323.397 -1.363 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001376094647 920854960 /nfs/dbraw/zinc/85/49/60/920854960.db2.gz LTQBBNLWHXDNNG-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376094647 920854973 /nfs/dbraw/zinc/85/49/73/920854973.db2.gz LTQBBNLWHXDNNG-PWSUYJOCSA-N 1 1 308.400 -1.645 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100272 920856298 /nfs/dbraw/zinc/85/62/98/920856298.db2.gz UPLKRMTZGKZLAL-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001376100272 920856312 /nfs/dbraw/zinc/85/63/12/920856312.db2.gz UPLKRMTZGKZLAL-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001376104741 920856761 /nfs/dbraw/zinc/85/67/61/920856761.db2.gz ZBIMTYQQUPYWQD-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001376104741 920856773 /nfs/dbraw/zinc/85/67/73/920856773.db2.gz ZBIMTYQQUPYWQD-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102957 920856941 /nfs/dbraw/zinc/85/69/41/920856941.db2.gz VDNVGDQARSJEHO-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102957 920856954 /nfs/dbraw/zinc/85/69/54/920856954.db2.gz VDNVGDQARSJEHO-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001376103353 920857360 /nfs/dbraw/zinc/85/73/60/920857360.db2.gz ZKAVROAVDNODHY-KOLCDFICSA-N 1 1 309.388 -2.531 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102963 920857529 /nfs/dbraw/zinc/85/75/29/920857529.db2.gz VDNVGDQARSJEHO-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102963 920857534 /nfs/dbraw/zinc/85/75/34/920857534.db2.gz VDNVGDQARSJEHO-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376117289 920862084 /nfs/dbraw/zinc/86/20/84/920862084.db2.gz GPLCMSQGHVUSSP-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001376117289 920862100 /nfs/dbraw/zinc/86/21/00/920862100.db2.gz GPLCMSQGHVUSSP-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376120737 920862616 /nfs/dbraw/zinc/86/26/16/920862616.db2.gz ORNBRUVPVOWJAQ-YPMHNXCESA-N 1 1 322.427 -1.398 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376120737 920862629 /nfs/dbraw/zinc/86/26/29/920862629.db2.gz ORNBRUVPVOWJAQ-YPMHNXCESA-N 1 1 322.427 -1.398 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376116587 920862714 /nfs/dbraw/zinc/86/27/14/920862714.db2.gz GPLUMJJDWYJHPH-QMTHXVAHSA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376120716 920862858 /nfs/dbraw/zinc/86/28/58/920862858.db2.gz ORNBRUVPVOWJAQ-WCQYABFASA-N 1 1 322.427 -1.398 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376120716 920862872 /nfs/dbraw/zinc/86/28/72/920862872.db2.gz ORNBRUVPVOWJAQ-WCQYABFASA-N 1 1 322.427 -1.398 20 0 DAADMO O=C(COC[C@@H]1CCCO1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376125756 920864477 /nfs/dbraw/zinc/86/44/77/920864477.db2.gz XSBJBMMFWFQILI-GXTWGEPZSA-N 1 1 302.371 -1.273 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376126403 920866225 /nfs/dbraw/zinc/86/62/25/920866225.db2.gz XXJYZMCMGFUEGS-PWSUYJOCSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001376123840 920866686 /nfs/dbraw/zinc/86/66/86/920866686.db2.gz KASVRABDICFJFB-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001376123840 920866698 /nfs/dbraw/zinc/86/66/98/920866698.db2.gz KASVRABDICFJFB-NSHDSACASA-N 1 1 307.358 -1.610 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376132124 920869677 /nfs/dbraw/zinc/86/96/77/920869677.db2.gz UFBJCVSZFXHIQA-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376132124 920869683 /nfs/dbraw/zinc/86/96/83/920869683.db2.gz UFBJCVSZFXHIQA-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001376136500 920869953 /nfs/dbraw/zinc/86/99/53/920869953.db2.gz UDYNIYUECDLEGC-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001376136496 920870016 /nfs/dbraw/zinc/87/00/16/920870016.db2.gz UDYNIYUECDLEGC-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376138735 920872586 /nfs/dbraw/zinc/87/25/86/920872586.db2.gz ITXCAMUCICVXOF-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376138731 920872789 /nfs/dbraw/zinc/87/27/89/920872789.db2.gz ITXCAMUCICVXOF-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001376154915 920874531 /nfs/dbraw/zinc/87/45/31/920874531.db2.gz PRYBMCKKHVTDTE-QWRGUYRKSA-N 1 1 310.354 -1.075 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001376147053 920875957 /nfs/dbraw/zinc/87/59/57/920875957.db2.gz MUVHALIHHPLYAF-HDMKULJXSA-N 1 1 310.807 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001376147053 920875963 /nfs/dbraw/zinc/87/59/63/920875963.db2.gz MUVHALIHHPLYAF-HDMKULJXSA-N 1 1 310.807 -1.017 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001376149520 920876120 /nfs/dbraw/zinc/87/61/20/920876120.db2.gz TVAIEJYVBCSFRA-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001376149520 920876128 /nfs/dbraw/zinc/87/61/28/920876128.db2.gz TVAIEJYVBCSFRA-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001376221999 920893391 /nfs/dbraw/zinc/89/33/91/920893391.db2.gz IUSMCYYDJMLXMH-UHFFFAOYSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001376224066 920896651 /nfs/dbraw/zinc/89/66/51/920896651.db2.gz IYESJEBNGWRBPB-SCZZXKLOSA-N 1 1 324.389 -1.316 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001376232169 920897983 /nfs/dbraw/zinc/89/79/83/920897983.db2.gz MGZZCDLNMZRUTM-QWRGUYRKSA-N 1 1 312.370 -1.743 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cnnn3C)C2)C1 ZINC001376237487 920898928 /nfs/dbraw/zinc/89/89/28/920898928.db2.gz SVAKERCAWDJBNU-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1(O)CN(CC(N)=O)C1)CC2 ZINC001376231739 920899467 /nfs/dbraw/zinc/89/94/67/920899467.db2.gz FYSPDQUWUBKHJL-LLVKDONJSA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001376255258 920905470 /nfs/dbraw/zinc/90/54/70/920905470.db2.gz MWASMTZFSMSTJN-UTLUCORTSA-N 1 1 307.358 -1.684 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001376271616 920908182 /nfs/dbraw/zinc/90/81/82/920908182.db2.gz ZPVRMAJEYGEBIU-UHFFFAOYSA-N 1 1 324.381 -1.109 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@H](C)C(=O)N(C)C)C1 ZINC001376265785 920910038 /nfs/dbraw/zinc/91/00/38/920910038.db2.gz CQCWJPDBAWQFAB-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CCS(C)(=O)=O)C2)C1 ZINC001376289804 920910872 /nfs/dbraw/zinc/91/08/72/920910872.db2.gz KGWVOCLMTDUTOI-NSHDSACASA-N 1 1 319.427 -1.854 20 0 DAADMO CCn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376288759 920911205 /nfs/dbraw/zinc/91/12/05/920911205.db2.gz CLUSLNHDAZRVNU-GFCCVEGCSA-N 1 1 322.413 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001376288729 920913252 /nfs/dbraw/zinc/91/32/52/920913252.db2.gz JDVYPUJWLYIWTF-GHMZBOCLSA-N 1 1 309.374 -1.283 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001376290811 920913412 /nfs/dbraw/zinc/91/34/12/920913412.db2.gz QXHGEOKUDWEEJD-NWDGAFQWSA-N 1 1 310.398 -1.668 20 0 DAADMO CCn1cc(C[NH2+][C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001376294245 920914743 /nfs/dbraw/zinc/91/47/43/920914743.db2.gz DNYDACXHSSLULY-NWDGAFQWSA-N 1 1 321.385 -1.036 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001376323288 920918690 /nfs/dbraw/zinc/91/86/90/920918690.db2.gz NLKLKZQFGPQEPM-JTQLQIEISA-N 1 1 309.374 -1.083 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001376302398 920918888 /nfs/dbraw/zinc/91/88/88/920918888.db2.gz AEONPUGXEFBXQU-AXFHLTTASA-N 1 1 310.358 -1.494 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001376302398 920918902 /nfs/dbraw/zinc/91/89/02/920918902.db2.gz AEONPUGXEFBXQU-AXFHLTTASA-N 1 1 310.358 -1.494 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001376344922 920922577 /nfs/dbraw/zinc/92/25/77/920922577.db2.gz LYMMJALXYDNYCW-VIFPVBQESA-N 1 1 317.371 -1.382 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001376383035 920929966 /nfs/dbraw/zinc/92/99/66/920929966.db2.gz RPYKLRJVDGMBSG-FOUMNBMASA-N 1 1 308.382 -1.210 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001376424084 920931683 /nfs/dbraw/zinc/93/16/83/920931683.db2.gz RMWMRIGXJCPFCV-XYPYZODXSA-N 1 1 319.373 -1.292 20 0 DAADMO COC[C@H](OC)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001376407468 920932654 /nfs/dbraw/zinc/93/26/54/920932654.db2.gz CGBIKYRHCDJGPS-XQHKEYJVSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001376402071 920933998 /nfs/dbraw/zinc/93/39/98/920933998.db2.gz HWIXBAJMPDZTRM-INTQDDNPSA-N 1 1 320.353 -1.003 20 0 DAADMO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001376417754 920934128 /nfs/dbraw/zinc/93/41/28/920934128.db2.gz OZXKWOAATFRTHR-AVGNSLFASA-N 1 1 312.414 -1.063 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)c2ncn[nH]2)CC1 ZINC001376438644 920936837 /nfs/dbraw/zinc/93/68/37/920936837.db2.gz LDWLZMKSEZAIMM-JTQLQIEISA-N 1 1 323.401 -1.277 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)c2nc[nH]n2)CC1 ZINC001376438644 920936849 /nfs/dbraw/zinc/93/68/49/920936849.db2.gz LDWLZMKSEZAIMM-JTQLQIEISA-N 1 1 323.401 -1.277 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001376458777 920941846 /nfs/dbraw/zinc/94/18/46/920941846.db2.gz MZZUMAFJCIABIN-ZWNOBZJWSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001376484783 920950893 /nfs/dbraw/zinc/95/08/93/920950893.db2.gz UEPIHGJRHWAVCI-WFASDCNBSA-N 1 1 312.414 -1.243 20 0 DAADMO O=C(CCN1CCCC1=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001376499696 920956954 /nfs/dbraw/zinc/95/69/54/920956954.db2.gz NKANMDCAORYEMI-OAHLLOKOSA-N 1 1 313.398 -1.066 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376497597 920957328 /nfs/dbraw/zinc/95/73/28/920957328.db2.gz JECDMKPDHSDNJZ-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnn(C)c2)C1 ZINC001376497090 920958046 /nfs/dbraw/zinc/95/80/46/920958046.db2.gz IFWKZGXCNDKRCB-DGCLKSJQSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cnn1C ZINC001376499431 920958593 /nfs/dbraw/zinc/95/85/93/920958593.db2.gz MZWMNGOOLUOPOW-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376497589 920958818 /nfs/dbraw/zinc/95/88/18/920958818.db2.gz JECDMKPDHSDNJZ-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001376500395 920959012 /nfs/dbraw/zinc/95/90/12/920959012.db2.gz PHUICJFXRFSILD-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001376507673 920960087 /nfs/dbraw/zinc/96/00/87/920960087.db2.gz HCCYIPZLHLFOER-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001376507673 920960100 /nfs/dbraw/zinc/96/01/00/920960100.db2.gz HCCYIPZLHLFOER-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCCC(N)=O)C1 ZINC001376506941 920961005 /nfs/dbraw/zinc/96/10/05/920961005.db2.gz FHZOECVOOGXXRC-RISCZKNCSA-N 1 1 301.387 -1.034 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001376505526 920961380 /nfs/dbraw/zinc/96/13/80/920961380.db2.gz WMRWVBYZCOKTAQ-AWEZNQCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001376506521 920962220 /nfs/dbraw/zinc/96/22/20/920962220.db2.gz JFFBDASRLAJBCC-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001376511241 920964295 /nfs/dbraw/zinc/96/42/95/920964295.db2.gz PJPBULSLZCEFIJ-LBPRGKRZSA-N 1 1 322.427 -1.132 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001376511241 920964311 /nfs/dbraw/zinc/96/43/11/920964311.db2.gz PJPBULSLZCEFIJ-LBPRGKRZSA-N 1 1 322.427 -1.132 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC001376515527 920964981 /nfs/dbraw/zinc/96/49/81/920964981.db2.gz ZWVVFLKTNISSLT-GFCCVEGCSA-N 1 1 311.386 -1.208 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001376530022 920967583 /nfs/dbraw/zinc/96/75/83/920967583.db2.gz JREGAXKEYWTWTE-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001376534930 920969499 /nfs/dbraw/zinc/96/94/99/920969499.db2.gz WZMYGSBYEHOZAM-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO Cc1cc(C(=O)N(CCO)CC[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001376542514 920972071 /nfs/dbraw/zinc/97/20/71/920972071.db2.gz UBPKTFPUZUIVEK-NSHDSACASA-N 1 1 309.370 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)c1ncccc1O ZINC001376540826 920973719 /nfs/dbraw/zinc/97/37/19/920973719.db2.gz RAIRDGAGRXJRQQ-SNVBAGLBSA-N 1 1 310.354 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001376549852 920978218 /nfs/dbraw/zinc/97/82/18/920978218.db2.gz WGRCDUZIWCOHNE-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nccnc1N ZINC001376550062 920978543 /nfs/dbraw/zinc/97/85/43/920978543.db2.gz NZBAKDGYYBGQGY-UWVGGRQHSA-N 1 1 322.369 -1.640 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001376551908 920979916 /nfs/dbraw/zinc/97/99/16/920979916.db2.gz SQSDXBZGIHKMDJ-YPMHNXCESA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nnn1C ZINC001376555379 920982790 /nfs/dbraw/zinc/98/27/90/920982790.db2.gz GXJFIGCMDFYRDO-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001376585559 920984213 /nfs/dbraw/zinc/98/42/13/920984213.db2.gz RHJWUKQPIFYPOG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001376585559 920984224 /nfs/dbraw/zinc/98/42/24/920984224.db2.gz RHJWUKQPIFYPOG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001376611609 920989390 /nfs/dbraw/zinc/98/93/90/920989390.db2.gz NMUODRPTERIFNC-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001376600835 920991204 /nfs/dbraw/zinc/99/12/04/920991204.db2.gz OFEOYIUSSDYIHL-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001376600840 920991220 /nfs/dbraw/zinc/99/12/20/920991220.db2.gz OFEOYIUSSDYIHL-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001376622482 920991803 /nfs/dbraw/zinc/99/18/03/920991803.db2.gz CIRQRFMJWHHLQD-KOLCDFICSA-N 1 1 323.353 -1.659 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001376622663 920992254 /nfs/dbraw/zinc/99/22/54/920992254.db2.gz DHIDYNKUTZOETC-BDAKNGLRSA-N 1 1 311.346 -2.631 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376622567 920993432 /nfs/dbraw/zinc/99/34/32/920993432.db2.gz CUHFKMYAWDRCTH-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CNC(=O)NC)C1 ZINC001376621108 920993597 /nfs/dbraw/zinc/99/35/97/920993597.db2.gz HEVKPZZRWDKYNL-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376619747 920993800 /nfs/dbraw/zinc/99/38/00/920993800.db2.gz QXMXMWSSWZYJNK-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376625179 920995237 /nfs/dbraw/zinc/99/52/37/920995237.db2.gz IGOFEOAVHRDTFN-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376627418 920995437 /nfs/dbraw/zinc/99/54/37/920995437.db2.gz LNMMRBTVRVEVHV-UWVGGRQHSA-N 1 1 311.342 -1.463 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376627422 920996155 /nfs/dbraw/zinc/99/61/55/920996155.db2.gz LNMMRBTVRVEVHV-VHSXEESVSA-N 1 1 311.342 -1.463 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376625176 920996404 /nfs/dbraw/zinc/99/64/04/920996404.db2.gz IGOFEOAVHRDTFN-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638530 920998699 /nfs/dbraw/zinc/99/86/99/920998699.db2.gz AKNUMIFNMNFVNK-OFKSJOQMSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638530 920998712 /nfs/dbraw/zinc/99/87/12/920998712.db2.gz AKNUMIFNMNFVNK-OFKSJOQMSA-N 1 1 310.354 -1.347 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001376637495 920998904 /nfs/dbraw/zinc/99/89/04/920998904.db2.gz PPTYKWOWLPAOFD-HUBLWGQQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001376635456 920999778 /nfs/dbraw/zinc/99/97/78/920999778.db2.gz ZZDOAUKUKJOLSO-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638533 920999857 /nfs/dbraw/zinc/99/98/57/920999857.db2.gz AKNUMIFNMNFVNK-OMHSBUABSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CO1 ZINC001376638533 920999871 /nfs/dbraw/zinc/99/98/71/920999871.db2.gz AKNUMIFNMNFVNK-OMHSBUABSA-N 1 1 310.354 -1.347 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001376637496 921000019 /nfs/dbraw/zinc/00/00/19/921000019.db2.gz PPTYKWOWLPAOFD-ZOWXZIJZSA-N 1 1 313.398 -1.042 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001376639124 921000404 /nfs/dbraw/zinc/00/04/04/921000404.db2.gz UURAISPPYGJPRN-SVPLCASGSA-N 1 1 311.382 -1.434 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn1ccnc1)C1CCC1 ZINC001376642884 921001645 /nfs/dbraw/zinc/00/16/45/921001645.db2.gz PFLGKFCGLWIHCL-ZDUSSCGKSA-N 1 1 323.397 -1.039 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001376650579 921004758 /nfs/dbraw/zinc/00/47/58/921004758.db2.gz GXMFJFTZRCNRRY-CYBMUJFWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001376656206 921007963 /nfs/dbraw/zinc/00/79/63/921007963.db2.gz QSSRFYIZBJETAA-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001376660126 921008054 /nfs/dbraw/zinc/00/80/54/921008054.db2.gz WDNRUNYHFIVQNH-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001376660126 921008068 /nfs/dbraw/zinc/00/80/68/921008068.db2.gz WDNRUNYHFIVQNH-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376654129 921008320 /nfs/dbraw/zinc/00/83/20/921008320.db2.gz INEFXCXLOYOMGK-SNVBAGLBSA-N 1 1 322.369 -1.964 20 0 DAADMO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1)[NH+]1CCCC1 ZINC001376657550 921009534 /nfs/dbraw/zinc/00/95/34/921009534.db2.gz CYGUPOTVDINSRI-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 ZINC001376657550 921009552 /nfs/dbraw/zinc/00/95/52/921009552.db2.gz CYGUPOTVDINSRI-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001376657605 921009891 /nfs/dbraw/zinc/00/98/91/921009891.db2.gz RLNKUZJSENPHHI-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001376657605 921009901 /nfs/dbraw/zinc/00/99/01/921009901.db2.gz RLNKUZJSENPHHI-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)CC1 ZINC001376673868 921014516 /nfs/dbraw/zinc/01/45/16/921014516.db2.gz JOSLYRVFGBXVKQ-SNVBAGLBSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001376762405 921026443 /nfs/dbraw/zinc/02/64/43/921026443.db2.gz SSIVZTLKPJFLPG-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN1CCCS1(=O)=O ZINC001376754752 921027720 /nfs/dbraw/zinc/02/77/20/921027720.db2.gz MYBFGDKIBDJHMS-SECBINFHSA-N 1 1 316.387 -1.452 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001376783340 921030199 /nfs/dbraw/zinc/03/01/99/921030199.db2.gz LEUIAWXROJRBHC-WDEREUQCSA-N 1 1 323.401 -1.598 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@@H](C)c1nncn1C ZINC001376783336 921030485 /nfs/dbraw/zinc/03/04/85/921030485.db2.gz LEUIAWXROJRBHC-MNOVXSKESA-N 1 1 323.401 -1.598 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001376808849 921035224 /nfs/dbraw/zinc/03/52/24/921035224.db2.gz PTEZQGPRABWKFS-NXEZZACHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001376808849 921035236 /nfs/dbraw/zinc/03/52/36/921035236.db2.gz PTEZQGPRABWKFS-NXEZZACHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001376818429 921035527 /nfs/dbraw/zinc/03/55/27/921035527.db2.gz COJTYCRRIKFVQS-YUMQZZPRSA-N 1 1 309.330 -1.993 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC001376829277 921036650 /nfs/dbraw/zinc/03/66/50/921036650.db2.gz ULFLPTOEJZFBNV-HTQZYQBOSA-N 1 1 318.403 -1.355 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376826811 921037269 /nfs/dbraw/zinc/03/72/69/921037269.db2.gz GECIYGZHCJTWQS-MWLCHTKSSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376826811 921037278 /nfs/dbraw/zinc/03/72/78/921037278.db2.gz GECIYGZHCJTWQS-MWLCHTKSSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1nnnn1C ZINC001376833250 921038357 /nfs/dbraw/zinc/03/83/57/921038357.db2.gz YNABXHYAPUPQNC-JTQLQIEISA-N 1 1 320.357 -1.549 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)CNC(=O)CCn2cnnn2)n1 ZINC001376842720 921040233 /nfs/dbraw/zinc/04/02/33/921040233.db2.gz YYCIOURDZNRTOC-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001376841708 921040265 /nfs/dbraw/zinc/04/02/65/921040265.db2.gz PXEWZNWWDHLMBM-MNOVXSKESA-N 1 1 324.385 -1.311 20 0 DAADMO CCO[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001376845480 921040822 /nfs/dbraw/zinc/04/08/22/921040822.db2.gz XNZJCPFUXSEKER-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001376848871 921041111 /nfs/dbraw/zinc/04/11/11/921041111.db2.gz DJHNWPHRPUGEKA-QWRGUYRKSA-N 1 1 324.385 -1.182 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001376857838 921045118 /nfs/dbraw/zinc/04/51/18/921045118.db2.gz VYWAIAPNJYOGFN-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCO1 ZINC001376857840 921045411 /nfs/dbraw/zinc/04/54/11/921045411.db2.gz VYWAIAPNJYOGFN-OLZOCXBDSA-N 1 1 312.370 -1.224 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CC(=O)NC ZINC001377367436 921810261 /nfs/dbraw/zinc/81/02/61/921810261.db2.gz YRYGDGKWVAWWMW-UHFFFAOYSA-N 1 1 311.342 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)CC(=O)NC ZINC001377367436 921810268 /nfs/dbraw/zinc/81/02/68/921810268.db2.gz YRYGDGKWVAWWMW-UHFFFAOYSA-N 1 1 311.342 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCNC1=O ZINC001377364944 921810346 /nfs/dbraw/zinc/81/03/46/921810346.db2.gz FTKSAWZCLITTSJ-JTQLQIEISA-N 1 1 323.357 -2.296 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001377372571 921810387 /nfs/dbraw/zinc/81/03/87/921810387.db2.gz HYIIEGAPAXYXDC-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2ncn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001377372571 921810397 /nfs/dbraw/zinc/81/03/97/921810397.db2.gz HYIIEGAPAXYXDC-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398540 921811766 /nfs/dbraw/zinc/81/17/66/921811766.db2.gz FPPDFOHQQIWRDH-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398540 921811776 /nfs/dbraw/zinc/81/17/76/921811776.db2.gz FPPDFOHQQIWRDH-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001377401449 921812530 /nfs/dbraw/zinc/81/25/30/921812530.db2.gz RZVLDYINNRWHBG-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001377401493 921813413 /nfs/dbraw/zinc/81/34/13/921813413.db2.gz RZVLDYINNRWHBG-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427432 921814975 /nfs/dbraw/zinc/81/49/75/921814975.db2.gz NBIDIVZQERFSPZ-JTQLQIEISA-N 1 1 323.357 -1.686 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427432 921814986 /nfs/dbraw/zinc/81/49/86/921814986.db2.gz NBIDIVZQERFSPZ-JTQLQIEISA-N 1 1 323.357 -1.686 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001377413246 921817221 /nfs/dbraw/zinc/81/72/21/921817221.db2.gz SBTQKIODCGPOCO-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)COCc1nncn1C ZINC001377413246 921817235 /nfs/dbraw/zinc/81/72/35/921817235.db2.gz SBTQKIODCGPOCO-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377443104 921819090 /nfs/dbraw/zinc/81/90/90/921819090.db2.gz PIUINPJZDJWKAN-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001377437860 921819178 /nfs/dbraw/zinc/81/91/78/921819178.db2.gz UOUHBFLHFLLMRI-GHMZBOCLSA-N 1 1 303.359 -1.212 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001377436852 921819629 /nfs/dbraw/zinc/81/96/29/921819629.db2.gz OENHKLGBHVYNQN-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001377445759 921819911 /nfs/dbraw/zinc/81/99/11/921819911.db2.gz QNIBXGAEDOMFFI-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001377445759 921819921 /nfs/dbraw/zinc/81/99/21/921819921.db2.gz QNIBXGAEDOMFFI-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001377437876 921819979 /nfs/dbraw/zinc/81/99/79/921819979.db2.gz UOUHBFLHFLLMRI-WDEREUQCSA-N 1 1 303.359 -1.212 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377440050 921820134 /nfs/dbraw/zinc/82/01/34/921820134.db2.gz AFIUYDXTMZNAAQ-QWRGUYRKSA-N 1 1 324.385 -1.846 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001377448076 921820217 /nfs/dbraw/zinc/82/02/17/921820217.db2.gz NTOQRXNIMWPWLR-JQWIXIFHSA-N 1 1 314.386 -1.942 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001377440412 921820731 /nfs/dbraw/zinc/82/07/31/921820731.db2.gz HRWUPTUWTCSLNX-JSGCOSHPSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001377446279 921820925 /nfs/dbraw/zinc/82/09/25/921820925.db2.gz WGRZKMBCGVXDTL-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001377448761 921821058 /nfs/dbraw/zinc/82/10/58/921821058.db2.gz NTOQRXNIMWPWLR-PWSUYJOCSA-N 1 1 314.386 -1.942 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC001377445769 921821827 /nfs/dbraw/zinc/82/18/27/921821827.db2.gz QNIBXGAEDOMFFI-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001377445769 921821840 /nfs/dbraw/zinc/82/18/40/921821840.db2.gz QNIBXGAEDOMFFI-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001377446274 921821861 /nfs/dbraw/zinc/82/18/61/921821861.db2.gz WGRZKMBCGVXDTL-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001377444913 921822156 /nfs/dbraw/zinc/82/21/56/921822156.db2.gz ZTZJNKXFFFPVND-NEPJUHHUSA-N 1 1 324.381 -1.634 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001377434025 921822429 /nfs/dbraw/zinc/82/24/29/921822429.db2.gz MXMWIHNUVWBAOV-QWRGUYRKSA-N 1 1 308.400 -1.524 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)CCn3cnnn3)C2)C1=O ZINC001377459417 921824002 /nfs/dbraw/zinc/82/40/02/921824002.db2.gz HQYDYCUIZWZPNA-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC001377462714 921824056 /nfs/dbraw/zinc/82/40/56/921824056.db2.gz NNXYNRCMPNVILD-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC001377462714 921824059 /nfs/dbraw/zinc/82/40/59/921824059.db2.gz NNXYNRCMPNVILD-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001377468115 921824292 /nfs/dbraw/zinc/82/42/92/921824292.db2.gz ZKZMYVPNGKJLTG-NSHDSACASA-N 1 1 307.354 -1.443 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001377459668 921824569 /nfs/dbraw/zinc/82/45/69/921824569.db2.gz ILIVTUHYLNQPSQ-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001377459667 921825132 /nfs/dbraw/zinc/82/51/32/921825132.db2.gz ILIVTUHYLNQPSQ-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001377470353 921825477 /nfs/dbraw/zinc/82/54/77/921825477.db2.gz CCIWIGYQJTVUAS-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001377488818 921827249 /nfs/dbraw/zinc/82/72/49/921827249.db2.gz BYOFIFKDNYBOTH-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001377488818 921827261 /nfs/dbraw/zinc/82/72/61/921827261.db2.gz BYOFIFKDNYBOTH-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001377486818 921828326 /nfs/dbraw/zinc/82/83/26/921828326.db2.gz MHKOBWRJVIMGBR-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001377486818 921828336 /nfs/dbraw/zinc/82/83/36/921828336.db2.gz MHKOBWRJVIMGBR-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001377502148 921828467 /nfs/dbraw/zinc/82/84/67/921828467.db2.gz JKZXZOQVVBDFOQ-UHFFFAOYSA-N 1 1 319.369 -1.020 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)CC(N)=O ZINC001377502148 921828476 /nfs/dbraw/zinc/82/84/76/921828476.db2.gz JKZXZOQVVBDFOQ-UHFFFAOYSA-N 1 1 319.369 -1.020 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377480739 921828814 /nfs/dbraw/zinc/82/88/14/921828814.db2.gz WYWOAUIPKQVPJT-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377480739 921828824 /nfs/dbraw/zinc/82/88/24/921828824.db2.gz WYWOAUIPKQVPJT-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001377518820 921830836 /nfs/dbraw/zinc/83/08/36/921830836.db2.gz QWHYNVNYPHXREO-CHWSQXEVSA-N 1 1 302.371 -1.010 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001377532119 921832284 /nfs/dbraw/zinc/83/22/84/921832284.db2.gz HYIKLJNCNWDJGL-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001377532119 921832297 /nfs/dbraw/zinc/83/22/97/921832297.db2.gz HYIKLJNCNWDJGL-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO Cc1c(C(=O)NC2(CO)CC[NH+]([C@H](C)C(N)=O)CC2)nnn1C ZINC001377553564 921833321 /nfs/dbraw/zinc/83/33/21/921833321.db2.gz ZYUFHVBHEBPENB-SNVBAGLBSA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CO)(NC(=O)C2CC2)CC1 ZINC001377551351 921833434 /nfs/dbraw/zinc/83/34/34/921833434.db2.gz QREBHXNTHBHMPA-VIFPVBQESA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001377548011 921834805 /nfs/dbraw/zinc/83/48/05/921834805.db2.gz MKBYXIGXQNFMNH-DTWKUNHWSA-N 1 1 314.342 -2.088 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001377555811 921834892 /nfs/dbraw/zinc/83/48/92/921834892.db2.gz XLUDHNAOVCDVJV-DVVUODLYSA-N 1 1 312.370 -1.526 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001377555811 921834904 /nfs/dbraw/zinc/83/49/04/921834904.db2.gz XLUDHNAOVCDVJV-DVVUODLYSA-N 1 1 312.370 -1.526 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001377575071 921838391 /nfs/dbraw/zinc/83/83/91/921838391.db2.gz QVTUKLBLJKPFQA-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2csnn2)CC1 ZINC001377559910 921840045 /nfs/dbraw/zinc/84/00/45/921840045.db2.gz IKTNIWFEDFXCLN-QMMMGPOBSA-N 1 1 313.383 -1.031 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001377582331 921841306 /nfs/dbraw/zinc/84/13/06/921841306.db2.gz ZWCXNWNTEGKRTK-SECBINFHSA-N 1 1 312.378 -1.362 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377584128 921841427 /nfs/dbraw/zinc/84/14/27/921841427.db2.gz QCTRFWDEGMMWNK-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377584128 921841440 /nfs/dbraw/zinc/84/14/40/921841440.db2.gz QCTRFWDEGMMWNK-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001377588266 921842691 /nfs/dbraw/zinc/84/26/91/921842691.db2.gz FVZUUWNVMRDQEJ-UWVGGRQHSA-N 1 1 300.363 -1.020 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377624227 921846260 /nfs/dbraw/zinc/84/62/60/921846260.db2.gz BIOPRSSVBLHCAS-UWVGGRQHSA-N 1 1 310.358 -1.444 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)nn1 ZINC001377642742 921847247 /nfs/dbraw/zinc/84/72/47/921847247.db2.gz ZEEZRMPAKVRAJI-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)nn1 ZINC001377642742 921847265 /nfs/dbraw/zinc/84/72/65/921847265.db2.gz ZEEZRMPAKVRAJI-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001377661150 921847861 /nfs/dbraw/zinc/84/78/61/921847861.db2.gz SAZBAYWVHCCAJJ-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377661150 921847870 /nfs/dbraw/zinc/84/78/70/921847870.db2.gz SAZBAYWVHCCAJJ-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001377660573 921848213 /nfs/dbraw/zinc/84/82/13/921848213.db2.gz VJWBKSFTUOZUBW-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001377661154 921848278 /nfs/dbraw/zinc/84/82/78/921848278.db2.gz SAZBAYWVHCCAJJ-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377661154 921848297 /nfs/dbraw/zinc/84/82/97/921848297.db2.gz SAZBAYWVHCCAJJ-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001377661130 921849096 /nfs/dbraw/zinc/84/90/96/921849096.db2.gz SAZBAYWVHCCAJJ-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377661130 921849114 /nfs/dbraw/zinc/84/91/14/921849114.db2.gz SAZBAYWVHCCAJJ-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)nn1 ZINC001377642744 921849182 /nfs/dbraw/zinc/84/91/82/921849182.db2.gz ZEEZRMPAKVRAJI-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO COCCn1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)nn1 ZINC001377642744 921849195 /nfs/dbraw/zinc/84/91/95/921849195.db2.gz ZEEZRMPAKVRAJI-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CCOC ZINC001377653758 921849384 /nfs/dbraw/zinc/84/93/84/921849384.db2.gz VKPUSBDNHMBYCG-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)CC1=O ZINC001377646171 921850358 /nfs/dbraw/zinc/85/03/58/921850358.db2.gz XBCDGKRKBPGGLO-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001377661158 921850450 /nfs/dbraw/zinc/85/04/50/921850450.db2.gz SAZBAYWVHCCAJJ-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377661158 921850464 /nfs/dbraw/zinc/85/04/64/921850464.db2.gz SAZBAYWVHCCAJJ-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001377705080 921851864 /nfs/dbraw/zinc/85/18/64/921851864.db2.gz ZQVAXWQGBIUSPE-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001377705081 921852629 /nfs/dbraw/zinc/85/26/29/921852629.db2.gz ZQVAXWQGBIUSPE-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377688076 921852964 /nfs/dbraw/zinc/85/29/64/921852964.db2.gz DPIHTBRYXUCANU-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001377731753 921854673 /nfs/dbraw/zinc/85/46/73/921854673.db2.gz XXOALXIXCQXODM-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO O=C(NCC[C@@H]1CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001377725009 921855083 /nfs/dbraw/zinc/85/50/83/921855083.db2.gz KZCAOPMCRMMMJK-VXGBXAGGSA-N 1 1 319.427 -1.111 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001377762305 921858345 /nfs/dbraw/zinc/85/83/45/921858345.db2.gz NJICANSUIUJUEZ-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377752255 921858494 /nfs/dbraw/zinc/85/84/94/921858494.db2.gz GUSFLVZOXICMEK-GFCCVEGCSA-N 1 1 322.427 -1.180 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001377762316 921858520 /nfs/dbraw/zinc/85/85/20/921858520.db2.gz NJICANSUIUJUEZ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1)S(C)(=O)=O ZINC001377765076 921859768 /nfs/dbraw/zinc/85/97/68/921859768.db2.gz ZJMIZRLMLKPYTD-LLVKDONJSA-N 1 1 307.416 -1.350 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001377770319 921860590 /nfs/dbraw/zinc/86/05/90/921860590.db2.gz RHHMMUIZNZBJRV-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377749158 921860808 /nfs/dbraw/zinc/86/08/08/921860808.db2.gz BTRRGHWZLSZZNM-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CCn1ccnn1 ZINC001377781328 921862454 /nfs/dbraw/zinc/86/24/54/921862454.db2.gz KOQZENPXRCLBIS-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](NC(=O)CCn1ccnn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001377781318 921862619 /nfs/dbraw/zinc/86/26/19/921862619.db2.gz KOQZENPXRCLBIS-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001377816355 921866400 /nfs/dbraw/zinc/86/64/00/921866400.db2.gz PKJWYGOSKZQKBK-BDAKNGLRSA-N 1 1 322.373 -1.309 20 0 DAADMO O=C(NCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001377842622 921867312 /nfs/dbraw/zinc/86/73/12/921867312.db2.gz JBJXSCGWOGZJRX-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001377842622 921867322 /nfs/dbraw/zinc/86/73/22/921867322.db2.gz JBJXSCGWOGZJRX-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CCS(=O)(=O)NCCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001377936901 921884049 /nfs/dbraw/zinc/88/40/49/921884049.db2.gz QLQWBKDCOJEXFI-NSHDSACASA-N 1 1 318.443 -1.322 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001377928850 921884843 /nfs/dbraw/zinc/88/48/43/921884843.db2.gz JUEIYNOLCVZLCZ-SECBINFHSA-N 1 1 310.395 -1.069 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN(C)C(=O)COC)C1 ZINC001377969662 921890386 /nfs/dbraw/zinc/89/03/86/921890386.db2.gz HTLTTWVNAHTUOG-LLVKDONJSA-N 1 1 314.386 -1.597 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001377958162 921890415 /nfs/dbraw/zinc/89/04/15/921890415.db2.gz DYZQMQWYJWUKLB-CQSZACIVSA-N 1 1 324.425 -1.109 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001377958162 921890425 /nfs/dbraw/zinc/89/04/25/921890425.db2.gz DYZQMQWYJWUKLB-CQSZACIVSA-N 1 1 324.425 -1.109 20 0 DAADMO CNC(=O)NCCC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001377972326 921891437 /nfs/dbraw/zinc/89/14/37/921891437.db2.gz TUKOCUSVKCDWFC-SNVBAGLBSA-N 1 1 313.402 -1.170 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001377993981 921892825 /nfs/dbraw/zinc/89/28/25/921892825.db2.gz YHNWBEALWABNMR-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001377993983 921896608 /nfs/dbraw/zinc/89/66/08/921896608.db2.gz YHNWBEALWABNMR-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO O=C(Cn1cncn1)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001378012878 921896993 /nfs/dbraw/zinc/89/69/93/921896993.db2.gz BGZYASVITRBAQS-UHFFFAOYSA-N 1 1 306.370 -1.148 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001378024299 921901009 /nfs/dbraw/zinc/90/10/09/921901009.db2.gz PTJBNBTWSCSMFT-FQUUOJAGSA-N 1 1 313.398 -1.391 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001378024299 921901023 /nfs/dbraw/zinc/90/10/23/921901023.db2.gz PTJBNBTWSCSMFT-FQUUOJAGSA-N 1 1 313.398 -1.391 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)S(C)(=O)=O ZINC001378022994 921901547 /nfs/dbraw/zinc/90/15/47/921901547.db2.gz FDXIFKSKBPMUIL-VWYCJHECSA-N 1 1 305.400 -1.456 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)NC(N)=O ZINC001378028331 921902022 /nfs/dbraw/zinc/90/20/22/921902022.db2.gz RPYAJUXTUQWEDF-NOOOWODRSA-N 1 1 314.386 -1.274 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@H+](C)CC(=O)N1CCOCC1 ZINC001378040620 921903619 /nfs/dbraw/zinc/90/36/19/921903619.db2.gz ANJKREXZCBGSFP-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001378040620 921903634 /nfs/dbraw/zinc/90/36/34/921903634.db2.gz ANJKREXZCBGSFP-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378043371 921904106 /nfs/dbraw/zinc/90/41/06/921904106.db2.gz IBXHLPSXVLIOAJ-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)CCCS(C)(=O)=O ZINC001378045012 921905189 /nfs/dbraw/zinc/90/51/89/921905189.db2.gz SMEYSZJZNPZZQU-JTQLQIEISA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378045012 921905200 /nfs/dbraw/zinc/90/52/00/921905200.db2.gz SMEYSZJZNPZZQU-JTQLQIEISA-N 1 1 318.403 -1.456 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](COC)OC ZINC001378041115 921905966 /nfs/dbraw/zinc/90/59/66/921905966.db2.gz KNQMOOKQOOVZQZ-CYDGBPFRSA-N 1 1 302.371 -1.060 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](COC)OC ZINC001378041115 921905975 /nfs/dbraw/zinc/90/59/75/921905975.db2.gz KNQMOOKQOOVZQZ-CYDGBPFRSA-N 1 1 302.371 -1.060 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](COC)OC ZINC001378041117 921905993 /nfs/dbraw/zinc/90/59/93/921905993.db2.gz KNQMOOKQOOVZQZ-RVMXOQNASA-N 1 1 302.371 -1.060 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](COC)OC ZINC001378041117 921905999 /nfs/dbraw/zinc/90/59/99/921905999.db2.gz KNQMOOKQOOVZQZ-RVMXOQNASA-N 1 1 302.371 -1.060 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001378036746 921906048 /nfs/dbraw/zinc/90/60/48/921906048.db2.gz IIRKTGFGOMIIPD-RKDXNWHRSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378036746 921906053 /nfs/dbraw/zinc/90/60/53/921906053.db2.gz IIRKTGFGOMIIPD-RKDXNWHRSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001378036738 921906078 /nfs/dbraw/zinc/90/60/78/921906078.db2.gz IIRKTGFGOMIIPD-BDAKNGLRSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378036738 921906083 /nfs/dbraw/zinc/90/60/83/921906083.db2.gz IIRKTGFGOMIIPD-BDAKNGLRSA-N 1 1 322.387 -1.920 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001378041466 921906149 /nfs/dbraw/zinc/90/61/49/921906149.db2.gz YFVUTRNNYFCWJK-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001378041466 921906155 /nfs/dbraw/zinc/90/61/55/921906155.db2.gz YFVUTRNNYFCWJK-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001378070135 921907250 /nfs/dbraw/zinc/90/72/50/921907250.db2.gz LJZMLVCYCSQZHJ-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC1CC1 ZINC001378054651 921909411 /nfs/dbraw/zinc/90/94/11/921909411.db2.gz OYYANAORDGQANS-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC1CC1 ZINC001378054651 921909424 /nfs/dbraw/zinc/90/94/24/921909424.db2.gz OYYANAORDGQANS-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001378059166 921909783 /nfs/dbraw/zinc/90/97/83/921909783.db2.gz IXBBYFJXORZPTG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001378059166 921909791 /nfs/dbraw/zinc/90/97/91/921909791.db2.gz IXBBYFJXORZPTG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)[N@@H+](C)CCO ZINC001378077610 921911369 /nfs/dbraw/zinc/91/13/69/921911369.db2.gz FLGQMPXZCARHRC-MRVPVSSYSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001378077484 921911439 /nfs/dbraw/zinc/91/14/39/921911439.db2.gz JWIFNWKCJWJKMK-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378077484 921911450 /nfs/dbraw/zinc/91/14/50/921911450.db2.gz JWIFNWKCJWJKMK-VIFPVBQESA-N 1 1 323.353 -1.370 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001378096598 921913139 /nfs/dbraw/zinc/91/31/39/921913139.db2.gz VWKNBEQDFDYJOL-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001378096598 921913158 /nfs/dbraw/zinc/91/31/58/921913158.db2.gz VWKNBEQDFDYJOL-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@H]1CCCNC1=O ZINC001378084812 921914227 /nfs/dbraw/zinc/91/42/27/921914227.db2.gz LHQLLGAOSLVVMA-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001378076215 921914626 /nfs/dbraw/zinc/91/46/26/921914626.db2.gz BEVKRAJVSPNBIF-WDEREUQCSA-N 1 1 315.374 -1.974 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001378116294 921915976 /nfs/dbraw/zinc/91/59/76/921915976.db2.gz MEBAKCDZJGDCPR-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001378109768 921917263 /nfs/dbraw/zinc/91/72/63/921917263.db2.gz CBLBBWJKKARTNN-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001378108189 921917609 /nfs/dbraw/zinc/91/76/09/921917609.db2.gz IFKYXWCGHWFXRN-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001378111462 921917808 /nfs/dbraw/zinc/91/78/08/921917808.db2.gz VAXQLSMPFRCVBH-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)CCCS(C)(=O)=O ZINC001378121152 921920691 /nfs/dbraw/zinc/92/06/91/921920691.db2.gz BOCBRGQSOZKEGX-UWVGGRQHSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378121152 921920703 /nfs/dbraw/zinc/92/07/03/921920703.db2.gz BOCBRGQSOZKEGX-UWVGGRQHSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@H+](C)CC(N)=O ZINC001378158776 921922022 /nfs/dbraw/zinc/92/20/22/921922022.db2.gz SWKXWVCRDMOWDA-VIFPVBQESA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CC(N)=O ZINC001378158776 921922031 /nfs/dbraw/zinc/92/20/31/921922031.db2.gz SWKXWVCRDMOWDA-VIFPVBQESA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@H+](C)CC(N)=O ZINC001378158772 921923320 /nfs/dbraw/zinc/92/33/20/921923320.db2.gz SWKXWVCRDMOWDA-SECBINFHSA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CC(N)=O ZINC001378158772 921923326 /nfs/dbraw/zinc/92/33/26/921923326.db2.gz SWKXWVCRDMOWDA-SECBINFHSA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+](C)CCCO ZINC001378154436 921923543 /nfs/dbraw/zinc/92/35/43/921923543.db2.gz MDDNSASLLPTEPC-SNVBAGLBSA-N 1 1 312.370 -1.484 20 0 DAADMO CN(C(=O)CCNS(C)(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001378145216 921923831 /nfs/dbraw/zinc/92/38/31/921923831.db2.gz HNBGQMHWNIGPJK-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001378156315 921923919 /nfs/dbraw/zinc/92/39/19/921923919.db2.gz VWPUXVHKUXXVMZ-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001378156315 921923928 /nfs/dbraw/zinc/92/39/28/921923928.db2.gz VWPUXVHKUXXVMZ-LLVKDONJSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@H](CNC(=O)Cc1cncn1C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001378180924 921926213 /nfs/dbraw/zinc/92/62/13/921926213.db2.gz FAQHBWRXZOXDSA-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](CNC(=O)Cc1cncn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378180929 921926921 /nfs/dbraw/zinc/92/69/21/921926921.db2.gz FAQHBWRXZOXDSA-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378199577 921930130 /nfs/dbraw/zinc/93/01/30/921930130.db2.gz TUZHKILJYUMULJ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378199577 921930144 /nfs/dbraw/zinc/93/01/44/921930144.db2.gz TUZHKILJYUMULJ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378209337 921930449 /nfs/dbraw/zinc/93/04/49/921930449.db2.gz YTWYTNNTVDYDJW-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378199579 921931120 /nfs/dbraw/zinc/93/11/20/921931120.db2.gz TUZHKILJYUMULJ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378199579 921931136 /nfs/dbraw/zinc/93/11/36/921931136.db2.gz TUZHKILJYUMULJ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001378219641 921931765 /nfs/dbraw/zinc/93/17/65/921931765.db2.gz RNESFJHZIAAGFQ-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCO)C1 ZINC001378192768 921932131 /nfs/dbraw/zinc/93/21/31/921932131.db2.gz ACPBPNYGDPXKKF-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203871 921932435 /nfs/dbraw/zinc/93/24/35/921932435.db2.gz RPWKGXXZXLRVKQ-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001378203871 921932446 /nfs/dbraw/zinc/93/24/46/921932446.db2.gz RPWKGXXZXLRVKQ-WDEREUQCSA-N 1 1 322.369 -1.001 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001378199581 921932655 /nfs/dbraw/zinc/93/26/55/921932655.db2.gz TUZHKILJYUMULJ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001378199581 921932664 /nfs/dbraw/zinc/93/26/64/921932664.db2.gz TUZHKILJYUMULJ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244453 921933495 /nfs/dbraw/zinc/93/34/95/921933495.db2.gz YKGHULOUAGAMQT-VHSXEESVSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244453 921933509 /nfs/dbraw/zinc/93/35/09/921933509.db2.gz YKGHULOUAGAMQT-VHSXEESVSA-N 1 1 311.386 -1.092 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001378221304 921934879 /nfs/dbraw/zinc/93/48/79/921934879.db2.gz PYJIOASIBDYMQD-YUMQZZPRSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001378221304 921934892 /nfs/dbraw/zinc/93/48/92/921934892.db2.gz PYJIOASIBDYMQD-YUMQZZPRSA-N 1 1 311.342 -1.590 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244449 921934998 /nfs/dbraw/zinc/93/49/98/921934998.db2.gz YKGHULOUAGAMQT-UWVGGRQHSA-N 1 1 311.386 -1.092 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001378244449 921935007 /nfs/dbraw/zinc/93/50/07/921935007.db2.gz YKGHULOUAGAMQT-UWVGGRQHSA-N 1 1 311.386 -1.092 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccnc1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001378223082 921935285 /nfs/dbraw/zinc/93/52/85/921935285.db2.gz AEAZLXDYOZEWIH-UWVGGRQHSA-N 1 1 310.358 -1.097 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001378235378 921936012 /nfs/dbraw/zinc/93/60/12/921936012.db2.gz BUZVUDBEBVMQCF-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001378244873 921938376 /nfs/dbraw/zinc/93/83/76/921938376.db2.gz ZVCXUXZRDJHJKQ-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001378244873 921938385 /nfs/dbraw/zinc/93/83/85/921938385.db2.gz ZVCXUXZRDJHJKQ-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001378267890 921941136 /nfs/dbraw/zinc/94/11/36/921941136.db2.gz LILLJAIEDSTNQH-SECBINFHSA-N 1 1 309.330 -1.351 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001378264971 921941606 /nfs/dbraw/zinc/94/16/06/921941606.db2.gz UKYCZWGOTJTKTJ-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378286555 921945330 /nfs/dbraw/zinc/94/53/30/921945330.db2.gz JAMVGJIBPOIURO-NXEZZACHSA-N 1 1 324.389 -1.251 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001378317383 921950312 /nfs/dbraw/zinc/95/03/12/921950312.db2.gz WTAMDFDGYJKLBY-NEPJUHHUSA-N 1 1 310.398 -1.478 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001378312792 921951214 /nfs/dbraw/zinc/95/12/14/921951214.db2.gz FBNRIGCOWSKMFP-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001378356041 921959000 /nfs/dbraw/zinc/95/90/00/921959000.db2.gz NOTJMTWZQBUVAM-NEPJUHHUSA-N 1 1 310.398 -1.620 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001378356052 921959026 /nfs/dbraw/zinc/95/90/26/921959026.db2.gz NOTJMTWZQBUVAM-VXGBXAGGSA-N 1 1 310.398 -1.620 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001378373237 921960141 /nfs/dbraw/zinc/96/01/41/921960141.db2.gz LZWFYLOGXITJOX-VIFPVBQESA-N 1 1 322.373 -1.590 20 0 DAADMO CNC(=O)NCC(=O)NC1(C[NH2+]Cc2nnnn2C)CCCC1 ZINC001378357999 921960682 /nfs/dbraw/zinc/96/06/82/921960682.db2.gz YJFDFVPXKANZMC-UHFFFAOYSA-N 1 1 324.389 -1.342 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC001378440969 921965687 /nfs/dbraw/zinc/96/56/87/921965687.db2.gz JIFJVCKTLYGJHK-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1nnn(C)n1 ZINC001378535586 921971667 /nfs/dbraw/zinc/97/16/67/921971667.db2.gz OPWHECQYCMUCLZ-SNVBAGLBSA-N 1 1 307.362 -1.266 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1nnn(C)n1 ZINC001378535585 921972673 /nfs/dbraw/zinc/97/26/73/921972673.db2.gz OPWHECQYCMUCLZ-JTQLQIEISA-N 1 1 307.362 -1.266 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378509881 921972778 /nfs/dbraw/zinc/97/27/78/921972778.db2.gz SGJAEZVXFKYWOY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001378556800 921973670 /nfs/dbraw/zinc/97/36/70/921973670.db2.gz UOLYHQKBLGNXCI-SECBINFHSA-N 1 1 312.378 -1.629 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001378612513 921981911 /nfs/dbraw/zinc/98/19/11/921981911.db2.gz VIQZVTJFBOIDFM-GHMZBOCLSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001378612513 921981919 /nfs/dbraw/zinc/98/19/19/921981919.db2.gz VIQZVTJFBOIDFM-GHMZBOCLSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378586597 921981990 /nfs/dbraw/zinc/98/19/90/921981990.db2.gz BWVPHDGLPVJUHL-IINYFYTJSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC001378622587 921984433 /nfs/dbraw/zinc/98/44/33/921984433.db2.gz FWQVBWSHDGPCKM-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001378622587 921984445 /nfs/dbraw/zinc/98/44/45/921984445.db2.gz FWQVBWSHDGPCKM-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC001378622589 921985215 /nfs/dbraw/zinc/98/52/15/921985215.db2.gz FWQVBWSHDGPCKM-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC001378622589 921985223 /nfs/dbraw/zinc/98/52/23/921985223.db2.gz FWQVBWSHDGPCKM-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001378657334 921987102 /nfs/dbraw/zinc/98/71/02/921987102.db2.gz MZTIMSZVHCZVST-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001378655095 921987269 /nfs/dbraw/zinc/98/72/69/921987269.db2.gz HDTSPWDILNXEAD-CYBMUJFWSA-N 1 1 310.398 -1.355 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001378660049 921989944 /nfs/dbraw/zinc/98/99/44/921989944.db2.gz UZBWXHFMMGJHKA-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001378660049 921989953 /nfs/dbraw/zinc/98/99/53/921989953.db2.gz UZBWXHFMMGJHKA-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001378669063 921990387 /nfs/dbraw/zinc/99/03/87/921990387.db2.gz IHJQIUQNDFGEGP-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001378669063 921990403 /nfs/dbraw/zinc/99/04/03/921990403.db2.gz IHJQIUQNDFGEGP-LLVKDONJSA-N 1 1 320.353 -1.272 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664847 921992513 /nfs/dbraw/zinc/99/25/13/921992513.db2.gz PTPIJGMUVAGKJM-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)CCn2cnnn2)C(C)(C)C1 ZINC001378664847 921992520 /nfs/dbraw/zinc/99/25/20/921992520.db2.gz PTPIJGMUVAGKJM-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378690509 921993919 /nfs/dbraw/zinc/99/39/19/921993919.db2.gz TUVMNBBIEBAVQA-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378690509 921993942 /nfs/dbraw/zinc/99/39/42/921993942.db2.gz TUVMNBBIEBAVQA-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378676529 921994627 /nfs/dbraw/zinc/99/46/27/921994627.db2.gz UETVXTCCDVVOHJ-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001378676513 921994816 /nfs/dbraw/zinc/99/48/16/921994816.db2.gz BGSJFCMDTNWYRH-JHEVNIALSA-N 1 1 310.398 -1.059 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001378680995 921994913 /nfs/dbraw/zinc/99/49/13/921994913.db2.gz IQRVYVOOQYSZTD-CNDDSTCGSA-N 1 1 319.369 -1.801 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)CC1(C)C ZINC001378684032 921994966 /nfs/dbraw/zinc/99/49/66/921994966.db2.gz WDHIMXRASZSTHK-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001378707533 921996979 /nfs/dbraw/zinc/99/69/79/921996979.db2.gz ZRPXHQBVKTZISZ-CNDDSTCGSA-N 1 1 322.365 -1.375 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001378704856 921997334 /nfs/dbraw/zinc/99/73/34/921997334.db2.gz OSMAQPJGWGQTKV-YFKTTZPYSA-N 1 1 323.397 -1.560 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001378695036 921997593 /nfs/dbraw/zinc/99/75/93/921997593.db2.gz ISYPRENZTQVSDP-KZZRWZIVSA-N 1 1 314.386 -1.656 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001378699887 921997848 /nfs/dbraw/zinc/99/78/48/921997848.db2.gz HXXOPQPYUUVUKT-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001378693797 921997931 /nfs/dbraw/zinc/99/79/31/921997931.db2.gz MDNWSRPCBCIGCC-DBIOUOCHSA-N 1 1 311.386 -1.527 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001378692146 921998073 /nfs/dbraw/zinc/99/80/73/921998073.db2.gz GQKBUDNYGLCIPL-FVCCEPFGSA-N 1 1 318.381 -1.149 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCn1cncn1 ZINC001378741068 922000023 /nfs/dbraw/zinc/00/00/23/922000023.db2.gz RKCAOFLBKPRGAC-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001378718519 922000050 /nfs/dbraw/zinc/00/00/50/922000050.db2.gz SIURUISZVJACKT-VIFPVBQESA-N 1 1 322.373 -1.590 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001378708405 922001065 /nfs/dbraw/zinc/00/10/65/922001065.db2.gz VENHQHMCMITZKH-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCn1cncn1 ZINC001378741078 922001301 /nfs/dbraw/zinc/00/13/01/922001301.db2.gz RKCAOFLBKPRGAC-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001378799010 922010796 /nfs/dbraw/zinc/01/07/96/922010796.db2.gz YFICSEYULNDPEU-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001378799010 922010816 /nfs/dbraw/zinc/01/08/16/922010816.db2.gz YFICSEYULNDPEU-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1C ZINC001378974399 922021796 /nfs/dbraw/zinc/02/17/96/922021796.db2.gz ZNDHSYFVDFIKHN-JTQLQIEISA-N 1 1 307.362 -1.268 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CN1CCCC1=O ZINC001379009479 922021992 /nfs/dbraw/zinc/02/19/92/922021992.db2.gz ACSNVAXZWANJNV-UHFFFAOYSA-N 1 1 313.358 -1.806 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CN1CCCC1=O ZINC001379009479 922022011 /nfs/dbraw/zinc/02/20/11/922022011.db2.gz ACSNVAXZWANJNV-UHFFFAOYSA-N 1 1 313.358 -1.806 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001378988168 922023198 /nfs/dbraw/zinc/02/31/98/922023198.db2.gz LVQBMZDTZKWKJR-LLVKDONJSA-N 1 1 322.369 -1.026 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnnn1C ZINC001379007766 922023989 /nfs/dbraw/zinc/02/39/89/922023989.db2.gz XRUBMVODFYLTFJ-SECBINFHSA-N 1 1 307.362 -1.117 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)Cn1cnnn1 ZINC001379010333 922024036 /nfs/dbraw/zinc/02/40/36/922024036.db2.gz FBDXYZQPZRDPLV-LBPRGKRZSA-N 1 1 322.373 -1.679 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@H]1CCCNC1=O ZINC001379036471 922025895 /nfs/dbraw/zinc/02/58/95/922025895.db2.gz FHNXQLHOONSLSN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@H]1CCCNC1=O ZINC001379036471 922025907 /nfs/dbraw/zinc/02/59/07/922025907.db2.gz FHNXQLHOONSLSN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379022384 922025964 /nfs/dbraw/zinc/02/59/64/922025964.db2.gz HJBOGHZFIYNWJF-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077656 922029087 /nfs/dbraw/zinc/02/90/87/922029087.db2.gz KUXXLEGNGBLQNV-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001379077656 922029093 /nfs/dbraw/zinc/02/90/93/922029093.db2.gz KUXXLEGNGBLQNV-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001379065812 922029842 /nfs/dbraw/zinc/02/98/42/922029842.db2.gz PMGKPZRRUXTKDS-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001379065812 922029859 /nfs/dbraw/zinc/02/98/59/922029859.db2.gz PMGKPZRRUXTKDS-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001379075543 922030530 /nfs/dbraw/zinc/03/05/30/922030530.db2.gz MINNYQLLIYIQCH-SNVBAGLBSA-N 1 1 321.381 -1.013 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001379075543 922030546 /nfs/dbraw/zinc/03/05/46/922030546.db2.gz MINNYQLLIYIQCH-SNVBAGLBSA-N 1 1 321.381 -1.013 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379052985 922031529 /nfs/dbraw/zinc/03/15/29/922031529.db2.gz JVLODTGZTTYHJB-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379069334 922031469 /nfs/dbraw/zinc/03/14/69/922031469.db2.gz NLQSPQQSEXUQJP-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379069334 922031487 /nfs/dbraw/zinc/03/14/87/922031487.db2.gz NLQSPQQSEXUQJP-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379069337 922031643 /nfs/dbraw/zinc/03/16/43/922031643.db2.gz NLQSPQQSEXUQJP-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379069337 922031658 /nfs/dbraw/zinc/03/16/58/922031658.db2.gz NLQSPQQSEXUQJP-RYUDHWBXSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCn1cnnn1 ZINC001379113891 922035908 /nfs/dbraw/zinc/03/59/08/922035908.db2.gz PMYPWZVILHUOIT-UHFFFAOYSA-N 1 1 312.334 -2.352 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCn1cnnn1 ZINC001379113891 922035924 /nfs/dbraw/zinc/03/59/24/922035924.db2.gz PMYPWZVILHUOIT-UHFFFAOYSA-N 1 1 312.334 -2.352 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001379110696 922036336 /nfs/dbraw/zinc/03/63/36/922036336.db2.gz ACGPXULBVHIWMR-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001379110696 922036355 /nfs/dbraw/zinc/03/63/55/922036355.db2.gz ACGPXULBVHIWMR-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379141706 922036443 /nfs/dbraw/zinc/03/64/43/922036443.db2.gz WNJHKYOLKAZTCK-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379141706 922036462 /nfs/dbraw/zinc/03/64/62/922036462.db2.gz WNJHKYOLKAZTCK-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379128513 922036716 /nfs/dbraw/zinc/03/67/16/922036716.db2.gz CXBLAICLCXENKT-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379128513 922036730 /nfs/dbraw/zinc/03/67/30/922036730.db2.gz CXBLAICLCXENKT-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001379113380 922037930 /nfs/dbraw/zinc/03/79/30/922037930.db2.gz CEOKRXHOCISWEK-SNVBAGLBSA-N 1 1 300.359 -1.301 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001379121200 922038598 /nfs/dbraw/zinc/03/85/98/922038598.db2.gz WGFAOZYIMWZZKX-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCN(C)C(=O)c1nc[nH]n1 ZINC001379121200 922038614 /nfs/dbraw/zinc/03/86/14/922038614.db2.gz WGFAOZYIMWZZKX-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001379123132 922039525 /nfs/dbraw/zinc/03/95/25/922039525.db2.gz HPNZCGAQRIXABO-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379132239 922039621 /nfs/dbraw/zinc/03/96/21/922039621.db2.gz NVRDXKXZNMAOEZ-NSHDSACASA-N 1 1 313.402 -1.216 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001379154128 922040839 /nfs/dbraw/zinc/04/08/39/922040839.db2.gz KFCZDBQEFFIVLA-SNVBAGLBSA-N 1 1 310.358 -1.615 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@@H]21 ZINC001379145765 922041723 /nfs/dbraw/zinc/04/17/23/922041723.db2.gz CWYCCESNAVKPHW-BDAKNGLRSA-N 1 1 321.341 -1.464 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001379162671 922044589 /nfs/dbraw/zinc/04/45/89/922044589.db2.gz MGBYWSUEBILVDU-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001379163727 922045591 /nfs/dbraw/zinc/04/55/91/922045591.db2.gz MXERXUCKKYYYLG-SECBINFHSA-N 1 1 321.341 -1.326 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1)c1nncn1C ZINC001379162994 922046310 /nfs/dbraw/zinc/04/63/10/922046310.db2.gz LBKIEVCIUJCNLO-RKDXNWHRSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]n1)c1nncn1C ZINC001379162966 922046584 /nfs/dbraw/zinc/04/65/84/922046584.db2.gz LBKIEVCIUJCNLO-BDAKNGLRSA-N 1 1 321.341 -1.248 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001379170364 922047360 /nfs/dbraw/zinc/04/73/60/922047360.db2.gz LRGBECOHAYUYHM-MNOVXSKESA-N 1 1 322.373 -1.457 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001379167827 922048088 /nfs/dbraw/zinc/04/80/88/922048088.db2.gz QRMTXBDEHILLDW-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001379169565 922048615 /nfs/dbraw/zinc/04/86/15/922048615.db2.gz XQAKCWCNHLFMSB-MWLCHTKSSA-N 1 1 324.385 -1.137 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)[nH]n2)n1 ZINC001379168270 922049183 /nfs/dbraw/zinc/04/91/83/922049183.db2.gz TVTXUGCFHLXSTR-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379176150 922052861 /nfs/dbraw/zinc/05/28/61/922052861.db2.gz UCWIXCJLZBCSIN-IUCAKERBSA-N 1 1 314.346 -1.701 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001379183041 922053027 /nfs/dbraw/zinc/05/30/27/922053027.db2.gz GKRMLVCIEQPIKP-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001379177023 922053639 /nfs/dbraw/zinc/05/36/39/922053639.db2.gz FHPHQCOILMQFGY-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001379174487 922053721 /nfs/dbraw/zinc/05/37/21/922053721.db2.gz QOHJORHGDJBSFE-SECBINFHSA-N 1 1 305.356 -1.406 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001379178568 922053774 /nfs/dbraw/zinc/05/37/74/922053774.db2.gz ZUEHMODJXDCOOE-VXGBXAGGSA-N 1 1 319.427 -1.030 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]1 ZINC001379182843 922054003 /nfs/dbraw/zinc/05/40/03/922054003.db2.gz GJWKLDWGMXQPOD-VXNVDRBHSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001379176279 922054287 /nfs/dbraw/zinc/05/42/87/922054287.db2.gz VDBGGERFPMVONY-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)c1)c1nnnn1C ZINC001379190475 922055692 /nfs/dbraw/zinc/05/56/92/922055692.db2.gz QGSWGIIXPZMEKW-KOLCDFICSA-N 1 1 307.358 -1.010 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379190749 922056101 /nfs/dbraw/zinc/05/61/01/922056101.db2.gz RIWOSOJMVDJELZ-UWVGGRQHSA-N 1 1 312.374 -1.531 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001379184357 922056930 /nfs/dbraw/zinc/05/69/30/922056930.db2.gz RFBZIBDDDIYXQP-DGCLKSJQSA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001379183644 922057215 /nfs/dbraw/zinc/05/72/15/922057215.db2.gz QCXVZTASALFFEC-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccn(C)c1)c1nnnn1C ZINC001379190479 922057640 /nfs/dbraw/zinc/05/76/40/922057640.db2.gz QGSWGIIXPZMEKW-ONGXEEELSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ns1 ZINC001379196856 922059724 /nfs/dbraw/zinc/05/97/24/922059724.db2.gz BMHPDNHSVVGKSV-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1cnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379197699 922059896 /nfs/dbraw/zinc/05/98/96/922059896.db2.gz ORUAPPTXFAXSCV-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001379195198 922061544 /nfs/dbraw/zinc/06/15/44/922061544.db2.gz GTCWHHFUFAPHQX-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnnn1C)c1nncn1C ZINC001379198595 922063017 /nfs/dbraw/zinc/06/30/17/922063017.db2.gz NXLLVRGYPRSLRH-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001379200574 922063042 /nfs/dbraw/zinc/06/30/42/922063042.db2.gz XARNMFSBRCWRRA-JTQLQIEISA-N 1 1 322.373 -1.506 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001379200627 922063402 /nfs/dbraw/zinc/06/34/02/922063402.db2.gz XVOFIWSWCKLDCW-MNOVXSKESA-N 1 1 300.315 -1.558 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)o1 ZINC001379201319 922064847 /nfs/dbraw/zinc/06/48/47/922064847.db2.gz VSQWJNIMWYCXAI-JTQLQIEISA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cc3n(n2)CCO3)[nH]1 ZINC001379202464 922065243 /nfs/dbraw/zinc/06/52/43/922065243.db2.gz BXFWMKNVZZYFJN-VIFPVBQESA-N 1 1 321.341 -1.417 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001379198906 922065776 /nfs/dbraw/zinc/06/57/76/922065776.db2.gz SPEAUWITTDLLCQ-VIFPVBQESA-N 1 1 308.346 -1.989 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001379204462 922066491 /nfs/dbraw/zinc/06/64/91/922066491.db2.gz FKJUFIFZSFOGGP-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001379205130 922067928 /nfs/dbraw/zinc/06/79/28/922067928.db2.gz FWAYVLWZISXNKY-JTQLQIEISA-N 1 1 317.371 -2.574 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001379203674 922068826 /nfs/dbraw/zinc/06/88/26/922068826.db2.gz GMVNOYLVIIWVPT-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379207024 922070238 /nfs/dbraw/zinc/07/02/38/922070238.db2.gz QPXCTCKZIVDWCU-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001379206508 922070882 /nfs/dbraw/zinc/07/08/82/922070882.db2.gz OFGBSLHSCAKLRN-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)oc1C ZINC001379206745 922070901 /nfs/dbraw/zinc/07/09/01/922070901.db2.gz JXOQLZGCPQRXNS-JTQLQIEISA-N 1 1 313.358 -1.213 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001379206387 922071645 /nfs/dbraw/zinc/07/16/45/922071645.db2.gz JQRRXBLTEQOCHH-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)oc1C ZINC001379206747 922071988 /nfs/dbraw/zinc/07/19/88/922071988.db2.gz JXOQLZGCPQRXNS-SNVBAGLBSA-N 1 1 313.358 -1.213 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379206766 922072042 /nfs/dbraw/zinc/07/20/42/922072042.db2.gz JZEWRTKBZJVERI-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379205646 922072276 /nfs/dbraw/zinc/07/22/76/922072276.db2.gz MVZNSXBMNZYXKA-UWVGGRQHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001379205657 922072304 /nfs/dbraw/zinc/07/23/04/922072304.db2.gz MVZNSXBMNZYXKA-ZJUUUORDSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379206558 922073098 /nfs/dbraw/zinc/07/30/98/922073098.db2.gz OUHHEGQHTZPJNC-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)nn1 ZINC001379206448 922073179 /nfs/dbraw/zinc/07/31/79/922073179.db2.gz NIZBZRSKRQCBHW-ZYHUDNBSSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001379206985 922073272 /nfs/dbraw/zinc/07/32/72/922073272.db2.gz LOIQJDUECHFHAS-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001379207655 922075896 /nfs/dbraw/zinc/07/58/96/922075896.db2.gz NMVHUWPIQSNFOU-ZJUUUORDSA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379217002 922078615 /nfs/dbraw/zinc/07/86/15/922078615.db2.gz IRKJEHAPWQLKRQ-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001379215469 922078673 /nfs/dbraw/zinc/07/86/73/922078673.db2.gz WXIWGZPJARRJCF-LLVKDONJSA-N 1 1 322.373 -1.764 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCC(=O)NC1 ZINC001379211881 922078881 /nfs/dbraw/zinc/07/88/81/922078881.db2.gz ZHENXQGKLFWAJF-WDEREUQCSA-N 1 1 307.354 -1.431 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)[nH]1 ZINC001379225696 922082087 /nfs/dbraw/zinc/08/20/87/922082087.db2.gz NRUGMLKWKRUXAI-WDEREUQCSA-N 1 1 324.385 -1.452 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)c(C)o1 ZINC001379224933 922083721 /nfs/dbraw/zinc/08/37/21/922083721.db2.gz JRLOYODRHKNNLU-SECBINFHSA-N 1 1 309.330 -1.305 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001379231534 922084407 /nfs/dbraw/zinc/08/44/07/922084407.db2.gz VSYNHIIYXHAZGH-NSHDSACASA-N 1 1 322.373 -1.710 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O)on1 ZINC001379233593 922089670 /nfs/dbraw/zinc/08/96/70/922089670.db2.gz UGVYTMKUYMCQQC-UWVGGRQHSA-N 1 1 319.383 -1.017 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2nccn2C)n1 ZINC001379237805 922090024 /nfs/dbraw/zinc/09/00/24/922090024.db2.gz SRWNCYVHVDKHCY-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO CCc1ncoc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379241224 922093646 /nfs/dbraw/zinc/09/36/46/922093646.db2.gz KKNWIQLISFBXQM-MRVPVSSYSA-N 1 1 309.330 -1.359 20 0 DAADMO CCc1ncoc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379241228 922094960 /nfs/dbraw/zinc/09/49/60/922094960.db2.gz KKNWIQLISFBXQM-QMMMGPOBSA-N 1 1 309.330 -1.359 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001379251727 922096156 /nfs/dbraw/zinc/09/61/56/922096156.db2.gz DBTBAGUGFAKEAA-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001379250726 922096978 /nfs/dbraw/zinc/09/69/78/922096978.db2.gz XCLXUALMBWJZMT-DGCLKSJQSA-N 1 1 323.397 -1.065 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379246525 922097008 /nfs/dbraw/zinc/09/70/08/922097008.db2.gz JKANVESKIGWINE-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001379255032 922100165 /nfs/dbraw/zinc/10/01/65/922100165.db2.gz GLHXWIBVMBMAID-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO COCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001379255971 922101752 /nfs/dbraw/zinc/10/17/52/922101752.db2.gz SMHGWPDWBVNCHS-JTQLQIEISA-N 1 1 324.341 -1.170 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379253802 922102154 /nfs/dbraw/zinc/10/21/54/922102154.db2.gz HAWCEPUYTNJTHY-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cncn2C)n1 ZINC001379260204 922105213 /nfs/dbraw/zinc/10/52/13/922105213.db2.gz RCLKPCVMQQFBAR-GFCCVEGCSA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)cc1=O ZINC001379259722 922105238 /nfs/dbraw/zinc/10/52/38/922105238.db2.gz GGMPCAALTIPSIL-LLVKDONJSA-N 1 1 320.353 -1.687 20 0 DAADMO COc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)cnn1C ZINC001379273556 922107136 /nfs/dbraw/zinc/10/71/36/922107136.db2.gz GMJXVOWOVABXNM-VIFPVBQESA-N 1 1 323.357 -1.264 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001379265511 922108154 /nfs/dbraw/zinc/10/81/54/922108154.db2.gz TYRUFKRYXYQIDN-SECBINFHSA-N 1 1 312.374 -1.353 20 0 DAADMO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001379265511 922108161 /nfs/dbraw/zinc/10/81/61/922108161.db2.gz TYRUFKRYXYQIDN-SECBINFHSA-N 1 1 312.374 -1.353 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)[nH]1 ZINC001379277670 922111171 /nfs/dbraw/zinc/11/11/71/922111171.db2.gz OWVUQIZZXAFHFY-UWVGGRQHSA-N 1 1 322.373 -1.214 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001379280328 922112620 /nfs/dbraw/zinc/11/26/20/922112620.db2.gz CMSILEGBASKRRL-WDEREUQCSA-N 1 1 302.375 -2.493 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379289885 922116501 /nfs/dbraw/zinc/11/65/01/922116501.db2.gz PVJJCLOKVBSPOI-VIFPVBQESA-N 1 1 320.375 -3.069 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001379289214 922117363 /nfs/dbraw/zinc/11/73/63/922117363.db2.gz NZGZFYGZVRQURE-MNOVXSKESA-N 1 1 311.342 -1.216 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001379293352 922118484 /nfs/dbraw/zinc/11/84/84/922118484.db2.gz PYFZDUGGISIUNE-KOLCDFICSA-N 1 1 319.383 -1.078 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379294017 922119834 /nfs/dbraw/zinc/11/98/34/922119834.db2.gz PUGBGQWOBWXKRU-VIFPVBQESA-N 1 1 319.387 -1.885 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)CNC(N)=O)C1 ZINC001379321945 922122823 /nfs/dbraw/zinc/12/28/23/922122823.db2.gz VDAUFLSOAFFGAC-JTQLQIEISA-N 1 1 313.358 -2.346 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)CNC(N)=O)C1 ZINC001379321945 922122840 /nfs/dbraw/zinc/12/28/40/922122840.db2.gz VDAUFLSOAFFGAC-JTQLQIEISA-N 1 1 313.358 -2.346 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001379352415 922130310 /nfs/dbraw/zinc/13/03/10/922130310.db2.gz FJNFZHGSLCKOPA-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379357091 922133026 /nfs/dbraw/zinc/13/30/26/922133026.db2.gz BHIXUFVWGHCTLS-WDEREUQCSA-N 1 1 324.385 -1.548 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001379363602 922136209 /nfs/dbraw/zinc/13/62/09/922136209.db2.gz RLGUEHXRSPXXQM-APPZFPTMSA-N 1 1 301.372 -1.371 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379364228 922136723 /nfs/dbraw/zinc/13/67/23/922136723.db2.gz SOEAYFQVJYWQPS-MFKMUULPSA-N 1 1 309.370 -1.124 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368444 922139022 /nfs/dbraw/zinc/13/90/22/922139022.db2.gz CAPBOVZGYJULDV-KBPBESRZSA-N 1 1 308.382 -1.021 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001379371541 922139099 /nfs/dbraw/zinc/13/90/99/922139099.db2.gz UFRQVTFFOXOPSE-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccn2)C1 ZINC001379368457 922140730 /nfs/dbraw/zinc/14/07/30/922140730.db2.gz CAPBOVZGYJULDV-ZIAGYGMSSA-N 1 1 308.382 -1.021 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379367810 922140864 /nfs/dbraw/zinc/14/08/64/922140864.db2.gz MGQRHMAYPDVGLD-MNOVXSKESA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1[nH]c(CN[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001379376423 922142269 /nfs/dbraw/zinc/14/22/69/922142269.db2.gz XKDXPMWSTHCDJO-UWVGGRQHSA-N 1 1 312.374 -2.231 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nnn1C ZINC001379373827 922143025 /nfs/dbraw/zinc/14/30/25/922143025.db2.gz MLDAZOONQNTHJH-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)C1 ZINC001379390552 922146119 /nfs/dbraw/zinc/14/61/19/922146119.db2.gz NWPGRHFWINVXFL-NSHDSACASA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cc2n(n1)CCO2 ZINC001379385382 922146995 /nfs/dbraw/zinc/14/69/95/922146995.db2.gz XENFTPAYBYKDBL-MRVPVSSYSA-N 1 1 306.330 -1.293 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001379383797 922148155 /nfs/dbraw/zinc/14/81/55/922148155.db2.gz QNXKRDAPZALULO-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)nn1 ZINC001379381840 922148687 /nfs/dbraw/zinc/14/86/87/922148687.db2.gz RHSMZMNQSZLZOG-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001379392378 922151846 /nfs/dbraw/zinc/15/18/46/922151846.db2.gz BLTHRSYVHKMCEP-GFCCVEGCSA-N 1 1 312.370 -1.118 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1ncnn1)c1cnccn1 ZINC001379393087 922151982 /nfs/dbraw/zinc/15/19/82/922151982.db2.gz CXMFJPDVRNADNN-ZJUUUORDSA-N 1 1 306.330 -1.709 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001379398974 922154954 /nfs/dbraw/zinc/15/49/54/922154954.db2.gz LWNQQZUBFMRRJR-LLVKDONJSA-N 1 1 317.367 -1.406 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncccn1 ZINC001379406517 922157767 /nfs/dbraw/zinc/15/77/67/922157767.db2.gz RWOGIAVRLOPQQD-SECBINFHSA-N 1 1 316.387 -1.875 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)n[nH]1 ZINC001379410065 922161294 /nfs/dbraw/zinc/16/12/94/922161294.db2.gz ZJIXWCRTYRDBSD-ZJUUUORDSA-N 1 1 310.358 -1.999 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001379412754 922161386 /nfs/dbraw/zinc/16/13/86/922161386.db2.gz PDWBNBQZMSZJOU-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001379410962 922162380 /nfs/dbraw/zinc/16/23/80/922162380.db2.gz MDOHYFKYXAQDNJ-WCQYABFASA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001379410962 922162386 /nfs/dbraw/zinc/16/23/86/922162386.db2.gz MDOHYFKYXAQDNJ-WCQYABFASA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001379425004 922168965 /nfs/dbraw/zinc/16/89/65/922168965.db2.gz XUCNCCMPZLMCHW-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1ncn[nH]1 ZINC001379431174 922171579 /nfs/dbraw/zinc/17/15/79/922171579.db2.gz IZMNZAXTBBJBRL-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1nc[nH]n1 ZINC001379431174 922171585 /nfs/dbraw/zinc/17/15/85/922171585.db2.gz IZMNZAXTBBJBRL-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001379428916 922172730 /nfs/dbraw/zinc/17/27/30/922172730.db2.gz WRJBKISDTHJAHU-NWDGAFQWSA-N 1 1 323.397 -1.145 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001379436451 922175671 /nfs/dbraw/zinc/17/56/71/922175671.db2.gz QNYXFLOOWDZDFY-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001379441779 922178598 /nfs/dbraw/zinc/17/85/98/922178598.db2.gz ZYPPJYNIOJDSAE-UWVGGRQHSA-N 1 1 319.383 -1.017 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC(=O)CC2)n1 ZINC001379453065 922181609 /nfs/dbraw/zinc/18/16/09/922181609.db2.gz XTANNJLVAUGLHG-DGCLKSJQSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001379463694 922184902 /nfs/dbraw/zinc/18/49/02/922184902.db2.gz LKMLHCBNHNPCOE-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)nn1C ZINC001379459092 922185398 /nfs/dbraw/zinc/18/53/98/922185398.db2.gz CEFPWTARXAGEMP-STQMWFEESA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379468027 922188172 /nfs/dbraw/zinc/18/81/72/922188172.db2.gz FTVROSYALIYJAY-SDDRHHMPSA-N 1 1 300.403 -1.471 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379468027 922188178 /nfs/dbraw/zinc/18/81/78/922188178.db2.gz FTVROSYALIYJAY-SDDRHHMPSA-N 1 1 300.403 -1.471 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379475613 922191062 /nfs/dbraw/zinc/19/10/62/922191062.db2.gz IJSMIIHUKQJFQG-GXSJLCMTSA-N 1 1 308.342 -1.967 20 0 DAADMO CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001379474445 922193021 /nfs/dbraw/zinc/19/30/21/922193021.db2.gz DIKCHJBYQBTGRK-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001379479428 922196760 /nfs/dbraw/zinc/19/67/60/922196760.db2.gz CMXWZOSNTHHSLU-VIFPVBQESA-N 1 1 307.372 -2.637 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001379478055 922196791 /nfs/dbraw/zinc/19/67/91/922196791.db2.gz NPWUENHKZFGSOJ-MNOVXSKESA-N 1 1 310.358 -1.849 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CS(C)(=O)=O ZINC001379488018 922198324 /nfs/dbraw/zinc/19/83/24/922198324.db2.gz NFJRXACSFLDOCI-YUMQZZPRSA-N 1 1 304.376 -1.590 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001379494368 922198881 /nfs/dbraw/zinc/19/88/81/922198881.db2.gz CKAXIARAXVWZNI-PWSUYJOCSA-N 1 1 311.386 -1.257 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379506307 922205813 /nfs/dbraw/zinc/20/58/13/922205813.db2.gz PUPZYBMJGPAWPI-KOLCDFICSA-N 1 1 310.358 -1.857 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1 ZINC001379502020 922206687 /nfs/dbraw/zinc/20/66/87/922206687.db2.gz CUKQTAYYBMAFMN-ZDUSSCGKSA-N 1 1 324.425 -1.229 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001379505407 922206987 /nfs/dbraw/zinc/20/69/87/922206987.db2.gz NYRAOQNPXPWTER-GFCCVEGCSA-N 1 1 312.414 -1.327 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001379508762 922211641 /nfs/dbraw/zinc/21/16/41/922211641.db2.gz PWTZABPLKVXPSR-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001379521032 922213653 /nfs/dbraw/zinc/21/36/53/922213653.db2.gz REASLFAZYFLQCX-JTQLQIEISA-N 1 1 323.401 -1.519 20 0 DAADMO COc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)ncn1 ZINC001379514454 922214643 /nfs/dbraw/zinc/21/46/43/922214643.db2.gz ILHLNQWIVAABGL-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001379522988 922215167 /nfs/dbraw/zinc/21/51/67/922215167.db2.gz BETVNKAGQVMROU-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379526708 922218070 /nfs/dbraw/zinc/21/80/70/922218070.db2.gz KNWKIPWQZZJSCW-NEPJUHHUSA-N 1 1 300.403 -1.471 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379526708 922218086 /nfs/dbraw/zinc/21/80/86/922218086.db2.gz KNWKIPWQZZJSCW-NEPJUHHUSA-N 1 1 300.403 -1.471 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001379529498 922220629 /nfs/dbraw/zinc/22/06/29/922220629.db2.gz BKOIKCVTGBLPDQ-NSHDSACASA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CNC(=O)C1CC1 ZINC001379537140 922223598 /nfs/dbraw/zinc/22/35/98/922223598.db2.gz AAPZBOGQPDWQAI-MWLCHTKSSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cn(C)c(=O)n1C)c1nnnn1C ZINC001379601031 922233914 /nfs/dbraw/zinc/23/39/14/922233914.db2.gz XRNWZUQDDWTYGP-DTWKUNHWSA-N 1 1 322.373 -1.284 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)CC1CC1)NC(=O)Cn1ncnn1 ZINC001379663382 922234928 /nfs/dbraw/zinc/23/49/28/922234928.db2.gz CZFNGMGNNSRLPO-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)CC1CC1)NC(=O)Cn1ncnn1 ZINC001379663382 922234946 /nfs/dbraw/zinc/23/49/46/922234946.db2.gz CZFNGMGNNSRLPO-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC001379647196 922235221 /nfs/dbraw/zinc/23/52/21/922235221.db2.gz CGTRCUGSKUKVIN-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC001379647196 922235233 /nfs/dbraw/zinc/23/52/33/922235233.db2.gz CGTRCUGSKUKVIN-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001379642732 922235718 /nfs/dbraw/zinc/23/57/18/922235718.db2.gz DNQHBVGZBNMLIE-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001379642732 922235727 /nfs/dbraw/zinc/23/57/27/922235727.db2.gz DNQHBVGZBNMLIE-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001379645132 922236648 /nfs/dbraw/zinc/23/66/48/922236648.db2.gz HKNUWLDRDZUBLO-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001379645132 922236665 /nfs/dbraw/zinc/23/66/65/922236665.db2.gz HKNUWLDRDZUBLO-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001379645136 922237086 /nfs/dbraw/zinc/23/70/86/922237086.db2.gz HKNUWLDRDZUBLO-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001379645136 922237105 /nfs/dbraw/zinc/23/71/05/922237105.db2.gz HKNUWLDRDZUBLO-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001379677049 922237797 /nfs/dbraw/zinc/23/77/97/922237797.db2.gz GJLPLONYLUZXPV-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001379677049 922237810 /nfs/dbraw/zinc/23/78/10/922237810.db2.gz GJLPLONYLUZXPV-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001379714900 922239417 /nfs/dbraw/zinc/23/94/17/922239417.db2.gz RGFBRDXJNOYZJK-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001379714900 922239432 /nfs/dbraw/zinc/23/94/32/922239432.db2.gz RGFBRDXJNOYZJK-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCNC(N)=O)C2)n1 ZINC001379683869 922240668 /nfs/dbraw/zinc/24/06/68/922240668.db2.gz FTDVPWRPSZKNHX-UWVGGRQHSA-N 1 1 324.389 -1.357 20 0 DAADMO CC1(C)CN(C(=O)Cc2ccn[nH]2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001379702232 922240707 /nfs/dbraw/zinc/24/07/07/922240707.db2.gz KXPSPPOQXQYOJC-SNVBAGLBSA-N 1 1 322.369 -1.026 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)co1 ZINC001379739093 922243436 /nfs/dbraw/zinc/24/34/36/922243436.db2.gz CYHSSPGXRQLUFI-LLVKDONJSA-N 1 1 309.330 -1.421 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001379732235 922243457 /nfs/dbraw/zinc/24/34/57/922243457.db2.gz OIYWAHBTLNENRD-NWDGAFQWSA-N 1 1 316.402 -2.138 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001379732217 922243989 /nfs/dbraw/zinc/24/39/89/922243989.db2.gz OIYWAHBTLNENRD-NEPJUHHUSA-N 1 1 316.402 -2.138 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001379736915 922245289 /nfs/dbraw/zinc/24/52/89/922245289.db2.gz AJRIGBNPJMDYMH-SCZZXKLOSA-N 1 1 308.346 -1.283 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001379745003 922247194 /nfs/dbraw/zinc/24/71/94/922247194.db2.gz LYZZSGFJEFXWRD-LBPRGKRZSA-N 1 1 309.370 -1.170 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746855 922248529 /nfs/dbraw/zinc/24/85/29/922248529.db2.gz YZAFNGWEKLRGQJ-RKDXNWHRSA-N 1 1 323.419 -2.307 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001379746855 922248546 /nfs/dbraw/zinc/24/85/46/922248546.db2.gz YZAFNGWEKLRGQJ-RKDXNWHRSA-N 1 1 323.419 -2.307 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001379763485 922250678 /nfs/dbraw/zinc/25/06/78/922250678.db2.gz WFFDHNNTXZXJLY-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761231 922251030 /nfs/dbraw/zinc/25/10/30/922251030.db2.gz QWEFSGWMYVPHSZ-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761231 922251036 /nfs/dbraw/zinc/25/10/36/922251036.db2.gz QWEFSGWMYVPHSZ-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761258 922251491 /nfs/dbraw/zinc/25/14/91/922251491.db2.gz JJTJVIXKHMKNNS-GHMZBOCLSA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761258 922251502 /nfs/dbraw/zinc/25/15/02/922251502.db2.gz JJTJVIXKHMKNNS-GHMZBOCLSA-N 1 1 309.370 -1.056 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1ccn[nH]1 ZINC001379763419 922251804 /nfs/dbraw/zinc/25/18/04/922251804.db2.gz VTBMMZWGEREVJD-ZDUSSCGKSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)Cn1ncn2nccc2c1=O ZINC001379759525 922252544 /nfs/dbraw/zinc/25/25/44/922252544.db2.gz UEWONFFMXGUKJF-SNVBAGLBSA-N 1 1 308.342 -1.680 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379761468 922252831 /nfs/dbraw/zinc/25/28/31/922252831.db2.gz WZKVGNBTVJAUPS-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379761468 922252843 /nfs/dbraw/zinc/25/28/43/922252843.db2.gz WZKVGNBTVJAUPS-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001379766446 922254550 /nfs/dbraw/zinc/25/45/50/922254550.db2.gz HGLUTAAHWVDSNE-GHMZBOCLSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001379774407 922254817 /nfs/dbraw/zinc/25/48/17/922254817.db2.gz VRQJSBCDRNEBMR-ZYHUDNBSSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1)n1cncn1 ZINC001379772117 922254946 /nfs/dbraw/zinc/25/49/46/922254946.db2.gz SJDUXGDLLKITEU-GXSJLCMTSA-N 1 1 309.330 -1.169 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001379769506 922256206 /nfs/dbraw/zinc/25/62/06/922256206.db2.gz UPADUVBNVRFHGO-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1)n1cncn1 ZINC001379772119 922256747 /nfs/dbraw/zinc/25/67/47/922256747.db2.gz SJDUXGDLLKITEU-KOLCDFICSA-N 1 1 309.330 -1.169 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781021 922258847 /nfs/dbraw/zinc/25/88/47/922258847.db2.gz REGOUNFBHWRNMY-DTWKUNHWSA-N 1 1 322.369 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781021 922258859 /nfs/dbraw/zinc/25/88/59/922258859.db2.gz REGOUNFBHWRNMY-DTWKUNHWSA-N 1 1 322.369 -1.240 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ncccc1O ZINC001379776518 922259219 /nfs/dbraw/zinc/25/92/19/922259219.db2.gz RTJFDUCUGAZQGI-SNVBAGLBSA-N 1 1 310.354 -1.102 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)c1cnnn1C ZINC001379776285 922259795 /nfs/dbraw/zinc/25/97/95/922259795.db2.gz GYEPGEBXZSZOFV-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379783355 922260193 /nfs/dbraw/zinc/26/01/93/922260193.db2.gz XAXASVQGNGMCJH-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781013 922260224 /nfs/dbraw/zinc/26/02/24/922260224.db2.gz REGOUNFBHWRNMY-BDAKNGLRSA-N 1 1 322.369 -1.240 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781013 922260241 /nfs/dbraw/zinc/26/02/41/922260241.db2.gz REGOUNFBHWRNMY-BDAKNGLRSA-N 1 1 322.369 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781040 922260460 /nfs/dbraw/zinc/26/04/60/922260460.db2.gz REGOUNFBHWRNMY-RKDXNWHRSA-N 1 1 322.369 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781040 922260476 /nfs/dbraw/zinc/26/04/76/922260476.db2.gz REGOUNFBHWRNMY-RKDXNWHRSA-N 1 1 322.369 -1.240 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ncn(C)n1 ZINC001379782033 922260905 /nfs/dbraw/zinc/26/09/05/922260905.db2.gz UGEXQEDKWMYMND-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781031 922261116 /nfs/dbraw/zinc/26/11/16/922261116.db2.gz REGOUNFBHWRNMY-IUCAKERBSA-N 1 1 322.369 -1.240 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001379781031 922261132 /nfs/dbraw/zinc/26/11/32/922261132.db2.gz REGOUNFBHWRNMY-IUCAKERBSA-N 1 1 322.369 -1.240 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779370 922261277 /nfs/dbraw/zinc/26/12/77/922261277.db2.gz AFGDHCRAYZQGJI-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001379779370 922261292 /nfs/dbraw/zinc/26/12/92/922261292.db2.gz AFGDHCRAYZQGJI-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379795194 922261785 /nfs/dbraw/zinc/26/17/85/922261785.db2.gz JMUGXFLGUWIOSW-JQWIXIFHSA-N 1 1 324.385 -1.798 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001379798125 922265962 /nfs/dbraw/zinc/26/59/62/922265962.db2.gz DHYPGRRDJWNGIL-JTQLQIEISA-N 1 1 308.346 -1.361 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001379804743 922267096 /nfs/dbraw/zinc/26/70/96/922267096.db2.gz KEMRNNGMRGTDHK-WOPDTQHZSA-N 1 1 316.402 -1.027 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cn[nH]n1 ZINC001379798197 922267819 /nfs/dbraw/zinc/26/78/19/922267819.db2.gz DLTZGGRSLPINSB-SECBINFHSA-N 1 1 321.345 -1.651 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001379818131 922272567 /nfs/dbraw/zinc/27/25/67/922272567.db2.gz RCXGMCDZYVBEAI-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)N1C ZINC001379820125 922273952 /nfs/dbraw/zinc/27/39/52/922273952.db2.gz WLXHUDDCHAVYJJ-GHMZBOCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001379817776 922274307 /nfs/dbraw/zinc/27/43/07/922274307.db2.gz BIQKVODCYXOJAJ-DTWKUNHWSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1c[nH]c(=O)n1C ZINC001379827290 922274890 /nfs/dbraw/zinc/27/48/90/922274890.db2.gz TWIYMENXKAOBKD-JTQLQIEISA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001379834714 922276258 /nfs/dbraw/zinc/27/62/58/922276258.db2.gz MXEINDLZFNCWHW-GHMZBOCLSA-N 1 1 310.358 -1.965 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001379834714 922276268 /nfs/dbraw/zinc/27/62/68/922276268.db2.gz MXEINDLZFNCWHW-GHMZBOCLSA-N 1 1 310.358 -1.965 20 0 DAADMO CCc1oncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379835248 922276313 /nfs/dbraw/zinc/27/63/13/922276313.db2.gz BRIAQZWBRPGQQS-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1n[nH]cc1F ZINC001379835935 922276523 /nfs/dbraw/zinc/27/65/23/922276523.db2.gz IYXVMLRUXXBDHU-SECBINFHSA-N 1 1 311.321 -1.100 20 0 DAADMO CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001379841665 922276734 /nfs/dbraw/zinc/27/67/34/922276734.db2.gz PYNBFDWOPDBUGS-IUCAKERBSA-N 1 1 313.358 -1.588 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnn(C)n2)[nH]1 ZINC001379840864 922276986 /nfs/dbraw/zinc/27/69/86/922276986.db2.gz JVXLJKTZGNVWLW-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379828058 922277130 /nfs/dbraw/zinc/27/71/30/922277130.db2.gz ADLKPSXHBLIQPM-MRVPVSSYSA-N 1 1 324.345 -2.128 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1c[nH]nn1 ZINC001379832551 922277658 /nfs/dbraw/zinc/27/76/58/922277658.db2.gz IQDSSFVEMGZANF-NWDGAFQWSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1cnn[nH]1 ZINC001379832551 922277670 /nfs/dbraw/zinc/27/76/70/922277670.db2.gz IQDSSFVEMGZANF-NWDGAFQWSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001379854407 922279779 /nfs/dbraw/zinc/27/97/79/922279779.db2.gz PTHRLQDOTPMQNT-LLVKDONJSA-N 1 1 323.357 -1.342 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001379847186 922280277 /nfs/dbraw/zinc/28/02/77/922280277.db2.gz XTRFNAXVCPGNPV-GXSJLCMTSA-N 1 1 311.342 -1.353 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001379861700 922282759 /nfs/dbraw/zinc/28/27/59/922282759.db2.gz NLZYNTJLCOMCOK-GFCCVEGCSA-N 1 1 322.373 -1.501 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379867453 922283076 /nfs/dbraw/zinc/28/30/76/922283076.db2.gz YXNVCPKRVBZFRB-GZMMTYOYSA-N 1 1 309.374 -1.144 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CCNC(N)=O ZINC001379860347 922284321 /nfs/dbraw/zinc/28/43/21/922284321.db2.gz MGVNCLATXRAOCM-SECBINFHSA-N 1 1 313.362 -2.218 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CCNC(N)=O ZINC001379868302 922284995 /nfs/dbraw/zinc/28/49/95/922284995.db2.gz WADLMCFLSUCSET-SNVBAGLBSA-N 1 1 313.362 -2.218 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001379890149 922287331 /nfs/dbraw/zinc/28/73/31/922287331.db2.gz REDMOCHAGWXCDR-GXSJLCMTSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001379890149 922287345 /nfs/dbraw/zinc/28/73/45/922287345.db2.gz REDMOCHAGWXCDR-GXSJLCMTSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001379886330 922287868 /nfs/dbraw/zinc/28/78/68/922287868.db2.gz VFXYBKOFIOPIRI-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001379886330 922287880 /nfs/dbraw/zinc/28/78/80/922287880.db2.gz VFXYBKOFIOPIRI-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379873110 922288438 /nfs/dbraw/zinc/28/84/38/922288438.db2.gz VELDJFLPHKANQT-IUCAKERBSA-N 1 1 304.347 -2.033 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379915163 922290148 /nfs/dbraw/zinc/29/01/48/922290148.db2.gz RTTXIBLQGQBIFE-VXGBXAGGSA-N 1 1 316.402 -1.520 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911166 922290345 /nfs/dbraw/zinc/29/03/45/922290345.db2.gz MWUNOWQLGNEYQB-NXEZZACHSA-N 1 1 324.385 -1.442 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911166 922290360 /nfs/dbraw/zinc/29/03/60/922290360.db2.gz MWUNOWQLGNEYQB-NXEZZACHSA-N 1 1 324.385 -1.442 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCOC1 ZINC001379919307 922290394 /nfs/dbraw/zinc/29/03/94/922290394.db2.gz WYNDATSZNSNPOI-VHSXEESVSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCOC1 ZINC001379919307 922290411 /nfs/dbraw/zinc/29/04/11/922290411.db2.gz WYNDATSZNSNPOI-VHSXEESVSA-N 1 1 316.358 -2.031 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379916210 922293087 /nfs/dbraw/zinc/29/30/87/922293087.db2.gz GPWPBYDGMNZWSO-ZJUUUORDSA-N 1 1 312.374 -1.464 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379916210 922293101 /nfs/dbraw/zinc/29/31/01/922293101.db2.gz GPWPBYDGMNZWSO-ZJUUUORDSA-N 1 1 312.374 -1.464 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001379914630 922293387 /nfs/dbraw/zinc/29/33/87/922293387.db2.gz QCIZCRYXAHACGB-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001379914630 922293402 /nfs/dbraw/zinc/29/34/02/922293402.db2.gz QCIZCRYXAHACGB-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001379911191 922293768 /nfs/dbraw/zinc/29/37/68/922293768.db2.gz DSOGQOVRHSPXKA-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001379911191 922293784 /nfs/dbraw/zinc/29/37/84/922293784.db2.gz DSOGQOVRHSPXKA-UWVGGRQHSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001379930192 922294319 /nfs/dbraw/zinc/29/43/19/922294319.db2.gz BNJBEVWJYVCGPI-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001379930192 922294332 /nfs/dbraw/zinc/29/43/32/922294332.db2.gz BNJBEVWJYVCGPI-GHMZBOCLSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001379937027 922294566 /nfs/dbraw/zinc/29/45/66/922294566.db2.gz WXGYYSJLTIOQSS-NSHDSACASA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001379937027 922294581 /nfs/dbraw/zinc/29/45/81/922294581.db2.gz WXGYYSJLTIOQSS-NSHDSACASA-N 1 1 310.354 -1.765 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001379925218 922294678 /nfs/dbraw/zinc/29/46/78/922294678.db2.gz AKYICMKCZMYASH-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001379925218 922294702 /nfs/dbraw/zinc/29/47/02/922294702.db2.gz AKYICMKCZMYASH-NEPJUHHUSA-N 1 1 316.402 -2.057 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001379939778 922295131 /nfs/dbraw/zinc/29/51/31/922295131.db2.gz RFTOJVSINXTFSG-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001379939778 922295145 /nfs/dbraw/zinc/29/51/45/922295145.db2.gz RFTOJVSINXTFSG-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001379928006 922295386 /nfs/dbraw/zinc/29/53/86/922295386.db2.gz GBNWZCFMZBESBO-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001379928006 922295391 /nfs/dbraw/zinc/29/53/91/922295391.db2.gz GBNWZCFMZBESBO-GFCCVEGCSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cncn1C ZINC001379935361 922295505 /nfs/dbraw/zinc/29/55/05/922295505.db2.gz KHFSWJJXPRCALJ-QWRGUYRKSA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C)CC1 ZINC001379923926 922295545 /nfs/dbraw/zinc/29/55/45/922295545.db2.gz VBCYBFDSXPUZHU-SNVBAGLBSA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C)CC1 ZINC001379923926 922295564 /nfs/dbraw/zinc/29/55/64/922295564.db2.gz VBCYBFDSXPUZHU-SNVBAGLBSA-N 1 1 314.386 -1.007 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001379934254 922295751 /nfs/dbraw/zinc/29/57/51/922295751.db2.gz RAQRROKPRTVPMF-SNVBAGLBSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001379934254 922295763 /nfs/dbraw/zinc/29/57/63/922295763.db2.gz RAQRROKPRTVPMF-SNVBAGLBSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001379923413 922296323 /nfs/dbraw/zinc/29/63/23/922296323.db2.gz PCBUDBYYCPQKCI-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001379928013 922296782 /nfs/dbraw/zinc/29/67/82/922296782.db2.gz GBNWZCFMZBESBO-LBPRGKRZSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001379928013 922296800 /nfs/dbraw/zinc/29/68/00/922296800.db2.gz GBNWZCFMZBESBO-LBPRGKRZSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnnn1C ZINC001379926717 922297240 /nfs/dbraw/zinc/29/72/40/922297240.db2.gz UTNILGMOSZFBEE-NSHDSACASA-N 1 1 322.373 -1.529 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc2ncnn21 ZINC001379933921 922297632 /nfs/dbraw/zinc/29/76/32/922297632.db2.gz HTGLRXLWTGWOEH-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc2ncnn21 ZINC001379933921 922297646 /nfs/dbraw/zinc/29/76/46/922297646.db2.gz HTGLRXLWTGWOEH-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001379935094 922297687 /nfs/dbraw/zinc/29/76/87/922297687.db2.gz JVPJDKTVGAISNJ-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCCC1=O ZINC001379935094 922297698 /nfs/dbraw/zinc/29/76/98/922297698.db2.gz JVPJDKTVGAISNJ-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930007 922298021 /nfs/dbraw/zinc/29/80/21/922298021.db2.gz JRQBCNITYVUNQF-JQWIXIFHSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379930007 922298031 /nfs/dbraw/zinc/29/80/31/922298031.db2.gz JRQBCNITYVUNQF-JQWIXIFHSA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001379930198 922298184 /nfs/dbraw/zinc/29/81/84/922298184.db2.gz BNJBEVWJYVCGPI-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001379930198 922298198 /nfs/dbraw/zinc/29/81/98/922298198.db2.gz BNJBEVWJYVCGPI-MNOVXSKESA-N 1 1 314.386 -1.909 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001379928519 922298256 /nfs/dbraw/zinc/29/82/56/922298256.db2.gz HBDFOXOVGKJNNM-GHMZBOCLSA-N 1 1 315.374 -2.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379929992 922298450 /nfs/dbraw/zinc/29/84/50/922298450.db2.gz JRQBCNITYVUNQF-CMPLNLGQSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001379929992 922298464 /nfs/dbraw/zinc/29/84/64/922298464.db2.gz JRQBCNITYVUNQF-CMPLNLGQSA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2c1nnn2C ZINC001379955906 922300488 /nfs/dbraw/zinc/30/04/88/922300488.db2.gz ABMQOAQNPKNWBW-SNVBAGLBSA-N 1 1 322.369 -1.280 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC ZINC001379944864 922300953 /nfs/dbraw/zinc/30/09/53/922300953.db2.gz XGSITQXAFMMFEB-ZJUUUORDSA-N 1 1 317.390 -2.199 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001379944864 922300964 /nfs/dbraw/zinc/30/09/64/922300964.db2.gz XGSITQXAFMMFEB-ZJUUUORDSA-N 1 1 317.390 -2.199 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1nccn2ccnc12 ZINC001379956042 922302357 /nfs/dbraw/zinc/30/23/57/922302357.db2.gz AKONHPAVECBFIB-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1nccn2ccnc12 ZINC001379956042 922302362 /nfs/dbraw/zinc/30/23/62/922302362.db2.gz AKONHPAVECBFIB-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962046 922302912 /nfs/dbraw/zinc/30/29/12/922302912.db2.gz JCBDPXACLWHUDF-BDAKNGLRSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962046 922302926 /nfs/dbraw/zinc/30/29/26/922302926.db2.gz JCBDPXACLWHUDF-BDAKNGLRSA-N 1 1 313.358 -1.636 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001379969528 922303152 /nfs/dbraw/zinc/30/31/52/922303152.db2.gz NOKKCQGGMHPELU-WDEREUQCSA-N 1 1 317.357 -1.357 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001379969604 922303254 /nfs/dbraw/zinc/30/32/54/922303254.db2.gz JXGYPRZQPYKXPX-RYUDHWBXSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1cc(Cl)cn1 ZINC001379964373 922304522 /nfs/dbraw/zinc/30/45/22/922304522.db2.gz OTRSTERUUPAGAE-JTQLQIEISA-N 1 1 317.777 -1.227 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1cc(Cl)cn1 ZINC001379964373 922304525 /nfs/dbraw/zinc/30/45/25/922304525.db2.gz OTRSTERUUPAGAE-JTQLQIEISA-N 1 1 317.777 -1.227 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379960057 922304723 /nfs/dbraw/zinc/30/47/23/922304723.db2.gz DRNZTUFYSHJUDH-AEJSXWLSSA-N 1 1 300.359 -1.412 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379960057 922304738 /nfs/dbraw/zinc/30/47/38/922304738.db2.gz DRNZTUFYSHJUDH-AEJSXWLSSA-N 1 1 300.359 -1.412 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001379969112 922304802 /nfs/dbraw/zinc/30/48/02/922304802.db2.gz NEHJGHOLNWYNIJ-ONGXEEELSA-N 1 1 311.342 -1.335 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@H+]2CCCO)c1=O ZINC001379962504 922305090 /nfs/dbraw/zinc/30/50/90/922305090.db2.gz KELYEUMMASSEBO-NSHDSACASA-N 1 1 310.354 -1.880 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001379963607 922305446 /nfs/dbraw/zinc/30/54/46/922305446.db2.gz OHJXKDXVJWXBGZ-MNOVXSKESA-N 1 1 321.385 -1.115 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001379966253 922305840 /nfs/dbraw/zinc/30/58/40/922305840.db2.gz DAEGQXZUPLYZKG-LLVKDONJSA-N 1 1 311.386 -1.195 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001379966253 922305859 /nfs/dbraw/zinc/30/58/59/922305859.db2.gz DAEGQXZUPLYZKG-LLVKDONJSA-N 1 1 311.386 -1.195 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001379958262 922306646 /nfs/dbraw/zinc/30/66/46/922306646.db2.gz FICHHEZLVKOCFD-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001379970672 922307758 /nfs/dbraw/zinc/30/77/58/922307758.db2.gz ZPILDAJPHSTJTD-NSHDSACASA-N 1 1 324.447 -1.458 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2c1 ZINC001379970047 922308393 /nfs/dbraw/zinc/30/83/93/922308393.db2.gz KQEPSYMWVSPUHD-SNVBAGLBSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2n[nH]nc2c1 ZINC001379970047 922308399 /nfs/dbraw/zinc/30/83/99/922308399.db2.gz KQEPSYMWVSPUHD-SNVBAGLBSA-N 1 1 320.353 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976323 922309177 /nfs/dbraw/zinc/30/91/77/922309177.db2.gz LLDOHYCLPIALQM-QWRGUYRKSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976323 922309194 /nfs/dbraw/zinc/30/91/94/922309194.db2.gz LLDOHYCLPIALQM-QWRGUYRKSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001379975443 922310225 /nfs/dbraw/zinc/31/02/25/922310225.db2.gz UKSDOBFAHDHZHT-MNOVXSKESA-N 1 1 324.381 -1.074 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001379970506 922310257 /nfs/dbraw/zinc/31/02/57/922310257.db2.gz PUFHXGUJEJPIPS-RYUDHWBXSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001379972180 922310358 /nfs/dbraw/zinc/31/03/58/922310358.db2.gz GOECYTMLDYLSRZ-CMPLNLGQSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001379972180 922310374 /nfs/dbraw/zinc/31/03/74/922310374.db2.gz GOECYTMLDYLSRZ-CMPLNLGQSA-N 1 1 323.397 -1.249 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976316 922310426 /nfs/dbraw/zinc/31/04/26/922310426.db2.gz LLDOHYCLPIALQM-MNOVXSKESA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976316 922310441 /nfs/dbraw/zinc/31/04/41/922310441.db2.gz LLDOHYCLPIALQM-MNOVXSKESA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001379972206 922311684 /nfs/dbraw/zinc/31/16/84/922311684.db2.gz GOECYTMLDYLSRZ-ZYHUDNBSSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001379972206 922311693 /nfs/dbraw/zinc/31/16/93/922311693.db2.gz GOECYTMLDYLSRZ-ZYHUDNBSSA-N 1 1 323.397 -1.249 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974955 922311785 /nfs/dbraw/zinc/31/17/85/922311785.db2.gz VMLZGFSLJRTQIR-GHMZBOCLSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974955 922311799 /nfs/dbraw/zinc/31/17/99/922311799.db2.gz VMLZGFSLJRTQIR-GHMZBOCLSA-N 1 1 311.386 -1.162 20 0 DAADMO Cc1nc[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379981433 922312928 /nfs/dbraw/zinc/31/29/28/922312928.db2.gz FUHYSRXTSOYUOP-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCCN1C(N)=O ZINC001379981803 922313432 /nfs/dbraw/zinc/31/34/32/922313432.db2.gz SBVNUFLMOXAAGQ-NWDGAFQWSA-N 1 1 316.402 -1.337 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1ccnc1 ZINC001379985496 922313649 /nfs/dbraw/zinc/31/36/49/922313649.db2.gz QTRWHVZDVAQMAP-ZDUSSCGKSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1ccnc1 ZINC001379985496 922313660 /nfs/dbraw/zinc/31/36/60/922313660.db2.gz QTRWHVZDVAQMAP-ZDUSSCGKSA-N 1 1 323.397 -1.087 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984740 922314030 /nfs/dbraw/zinc/31/40/30/922314030.db2.gz OPQVEDPZVUKIMQ-LLVKDONJSA-N 1 1 314.386 -1.265 20 0 DAADMO CNC(=O)NCC(=O)N(CC[N@H+](C)[C@@H](C)C(N)=O)C(C)C ZINC001379999805 922314162 /nfs/dbraw/zinc/31/41/62/922314162.db2.gz CKATVDGUPRQVSM-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N(CC[N@@H+](C)[C@@H](C)C(N)=O)C(C)C ZINC001379999805 922314177 /nfs/dbraw/zinc/31/41/77/922314177.db2.gz CKATVDGUPRQVSM-JTQLQIEISA-N 1 1 301.391 -1.042 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984741 922314429 /nfs/dbraw/zinc/31/44/29/922314429.db2.gz OPQVEDPZVUKIMQ-NSHDSACASA-N 1 1 314.386 -1.265 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1ccnc1 ZINC001379985489 922315035 /nfs/dbraw/zinc/31/50/35/922315035.db2.gz QTRWHVZDVAQMAP-CYBMUJFWSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1ccnc1 ZINC001379985489 922315056 /nfs/dbraw/zinc/31/50/56/922315056.db2.gz QTRWHVZDVAQMAP-CYBMUJFWSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001379982002 922315882 /nfs/dbraw/zinc/31/58/82/922315882.db2.gz KUGRCKLWUIPLHF-SECBINFHSA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001379982002 922315896 /nfs/dbraw/zinc/31/58/96/922315896.db2.gz KUGRCKLWUIPLHF-SECBINFHSA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001379981812 922316503 /nfs/dbraw/zinc/31/65/03/922316503.db2.gz SBVNUFLMOXAAGQ-RYUDHWBXSA-N 1 1 316.402 -1.337 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H]1CC[N@@H+]1CCCO ZINC001380004521 922317852 /nfs/dbraw/zinc/31/78/52/922317852.db2.gz BSKQIAURTAYAEA-GFCCVEGCSA-N 1 1 323.397 -1.046 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380018483 922318785 /nfs/dbraw/zinc/31/87/85/922318785.db2.gz XEJPKJYQXWDMDH-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001380014309 922320172 /nfs/dbraw/zinc/32/01/72/922320172.db2.gz MMNNPAXMNZMRPH-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001380004181 922320594 /nfs/dbraw/zinc/32/05/94/922320594.db2.gz ZWRMFZZXFFTDTP-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001380004181 922320609 /nfs/dbraw/zinc/32/06/09/922320609.db2.gz ZWRMFZZXFFTDTP-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001380012717 922320643 /nfs/dbraw/zinc/32/06/43/922320643.db2.gz DWTFXMRCBMERAD-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001380081213 922321201 /nfs/dbraw/zinc/32/12/01/922321201.db2.gz SDIWXXALICBRCN-UHFFFAOYSA-N 1 1 311.346 -2.224 20 0 DAADMO CCn1cc(C[NH2+]C2(CNC(=O)CNC(=O)NC)CC2)nn1 ZINC001380082250 922321877 /nfs/dbraw/zinc/32/18/77/922321877.db2.gz YBHOCRHSRHBBFC-UHFFFAOYSA-N 1 1 309.374 -1.035 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)c3cnn[nH]3)CC2)CCO1 ZINC001380118350 922330942 /nfs/dbraw/zinc/33/09/42/922330942.db2.gz ZVLAWTNMQUJHKG-JTQLQIEISA-N 1 1 322.369 -1.096 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001380116250 922331169 /nfs/dbraw/zinc/33/11/69/922331169.db2.gz OAMWZGVFLNBBAB-LBPRGKRZSA-N 1 1 311.386 -1.103 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](O)C(C)C)[C@@H]1CCNC1=O ZINC001380118736 922331965 /nfs/dbraw/zinc/33/19/65/922331965.db2.gz XTRPHSIOOYAKDY-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](O)C(C)C)[C@@H]1CCNC1=O ZINC001380118736 922331978 /nfs/dbraw/zinc/33/19/78/922331978.db2.gz XTRPHSIOOYAKDY-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO COc1nccc(C[NH2+]C2(CNC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001380132635 922334676 /nfs/dbraw/zinc/33/46/76/922334676.db2.gz MUBNVTWEXCBKGQ-SNVBAGLBSA-N 1 1 320.353 -1.095 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001380196182 922336029 /nfs/dbraw/zinc/33/60/29/922336029.db2.gz SJJBFCXWTCDCLO-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001380196182 922336046 /nfs/dbraw/zinc/33/60/46/922336046.db2.gz SJJBFCXWTCDCLO-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001380169695 922336184 /nfs/dbraw/zinc/33/61/84/922336184.db2.gz MJSSYEVYIPQJAS-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001380169695 922336200 /nfs/dbraw/zinc/33/62/00/922336200.db2.gz MJSSYEVYIPQJAS-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO CCS(=O)(=O)CC(=O)NCC1([NH2+]Cc2cnnn2C)CC1 ZINC001380170095 922337966 /nfs/dbraw/zinc/33/79/66/922337966.db2.gz JHFWVBIABHJGFP-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001380207951 922340161 /nfs/dbraw/zinc/34/01/61/922340161.db2.gz RTIOMPQOALHTLJ-TZMCWYRMSA-N 1 1 324.385 -1.395 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001380332756 922349130 /nfs/dbraw/zinc/34/91/30/922349130.db2.gz KJKXQXUBLYKBID-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001380327639 922350471 /nfs/dbraw/zinc/35/04/71/922350471.db2.gz DKXMALLYTMHPNY-MNOVXSKESA-N 1 1 320.415 -1.902 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380358787 922351738 /nfs/dbraw/zinc/35/17/38/922351738.db2.gz PBPYXKSXAXJOAS-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380358787 922351751 /nfs/dbraw/zinc/35/17/51/922351751.db2.gz PBPYXKSXAXJOAS-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001380357735 922351950 /nfs/dbraw/zinc/35/19/50/922351950.db2.gz NLRZZFCWXROGLZ-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001380337461 922352528 /nfs/dbraw/zinc/35/25/28/922352528.db2.gz XBRFFEGAAABPJC-ZDUSSCGKSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001380337461 922352545 /nfs/dbraw/zinc/35/25/45/922352545.db2.gz XBRFFEGAAABPJC-ZDUSSCGKSA-N 1 1 307.358 -1.514 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001380358183 922352649 /nfs/dbraw/zinc/35/26/49/922352649.db2.gz OXRINOSDRJEBQP-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2)C1 ZINC001380346495 922353053 /nfs/dbraw/zinc/35/30/53/922353053.db2.gz SWJKQFSSLHAVMH-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001380351786 922353124 /nfs/dbraw/zinc/35/31/24/922353124.db2.gz NJZMCQJITBVWLQ-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001380351786 922353128 /nfs/dbraw/zinc/35/31/28/922353128.db2.gz NJZMCQJITBVWLQ-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCCS2(=O)=O)CC[N@@H+](CCO)C1 ZINC001380348977 922354217 /nfs/dbraw/zinc/35/42/17/922354217.db2.gz AJUOHLQOAMQJSJ-CYBMUJFWSA-N 1 1 319.427 -1.015 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001380378171 922356092 /nfs/dbraw/zinc/35/60/92/922356092.db2.gz OKKUQRPHRNPGFF-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001380377197 922357608 /nfs/dbraw/zinc/35/76/08/922357608.db2.gz NEZHFQUZBUCJHB-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001380471310 922360643 /nfs/dbraw/zinc/36/06/43/922360643.db2.gz MQMOGKPEAJEDNF-ZDUSSCGKSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)c2nnn(C)n2)C1 ZINC001380471310 922360660 /nfs/dbraw/zinc/36/06/60/922360660.db2.gz MQMOGKPEAJEDNF-ZDUSSCGKSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)CCc2nc[nH]n2)CCOCC1 ZINC001380483787 922360845 /nfs/dbraw/zinc/36/08/45/922360845.db2.gz BEYYAISLNVPHKP-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380514348 922361398 /nfs/dbraw/zinc/36/13/98/922361398.db2.gz HLHSFIXVXWJDPW-PWSUYJOCSA-N 1 1 314.346 -2.767 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CCc2cnn(C)c2)C1 ZINC001380518849 922362404 /nfs/dbraw/zinc/36/24/04/922362404.db2.gz HQDNHMPOGMIXKY-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001380518632 922362673 /nfs/dbraw/zinc/36/26/73/922362673.db2.gz HROOYSVRFNHWEO-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001380518632 922362685 /nfs/dbraw/zinc/36/26/85/922362685.db2.gz HROOYSVRFNHWEO-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001380519342 922363012 /nfs/dbraw/zinc/36/30/12/922363012.db2.gz VENLKTSWHMJWAV-DGCLKSJQSA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380514030 922363301 /nfs/dbraw/zinc/36/33/01/922363301.db2.gz GJRUVJXTQYPFDA-CQSZACIVSA-N 1 1 319.369 -1.272 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001380517323 922364022 /nfs/dbraw/zinc/36/40/22/922364022.db2.gz GDJBKTQMCBBBAG-RISCZKNCSA-N 1 1 315.370 -1.909 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001380517323 922364041 /nfs/dbraw/zinc/36/40/41/922364041.db2.gz GDJBKTQMCBBBAG-RISCZKNCSA-N 1 1 315.370 -1.909 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380519091 922364384 /nfs/dbraw/zinc/36/43/84/922364384.db2.gz IECZYQXXADMJCL-QMTHXVAHSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380521206 922366546 /nfs/dbraw/zinc/36/65/46/922366546.db2.gz MINYEKSKWBCNPN-BXUZGUMPSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380521206 922366562 /nfs/dbraw/zinc/36/65/62/922366562.db2.gz MINYEKSKWBCNPN-BXUZGUMPSA-N 1 1 312.370 -2.094 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001380521227 922366805 /nfs/dbraw/zinc/36/68/05/922366805.db2.gz ODOOAMBZROBYMJ-UPONEAKYSA-N 1 1 308.285 -1.612 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001380521227 922366819 /nfs/dbraw/zinc/36/68/19/922366819.db2.gz ODOOAMBZROBYMJ-UPONEAKYSA-N 1 1 308.285 -1.612 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001380523795 922367519 /nfs/dbraw/zinc/36/75/19/922367519.db2.gz ZXFZIFWWJUBBST-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001380523795 922367532 /nfs/dbraw/zinc/36/75/32/922367532.db2.gz ZXFZIFWWJUBBST-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cnnn3C)C2)C1=O ZINC001380529629 922367636 /nfs/dbraw/zinc/36/76/36/922367636.db2.gz DFHDVRWGSSQDKL-IINYFYTJSA-N 1 1 322.369 -1.788 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001380526687 922367723 /nfs/dbraw/zinc/36/77/23/922367723.db2.gz MRZWLHJVYODYKX-MAWWSGROSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001380526687 922367726 /nfs/dbraw/zinc/36/77/26/922367726.db2.gz MRZWLHJVYODYKX-MAWWSGROSA-N 1 1 324.381 -1.220 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001380519353 922368312 /nfs/dbraw/zinc/36/83/12/922368312.db2.gz VENLKTSWHMJWAV-YPMHNXCESA-N 1 1 320.411 -1.380 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001380528918 922368558 /nfs/dbraw/zinc/36/85/58/922368558.db2.gz BHTGCMDDLQOKTR-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001380522050 922368817 /nfs/dbraw/zinc/36/88/17/922368817.db2.gz QGFXVNQSLLDFBW-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001380522050 922368832 /nfs/dbraw/zinc/36/88/32/922368832.db2.gz QGFXVNQSLLDFBW-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380521052 922369353 /nfs/dbraw/zinc/36/93/53/922369353.db2.gz LRQZJGUIIQXWNJ-ZDUSSCGKSA-N 1 1 300.359 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380521052 922369357 /nfs/dbraw/zinc/36/93/57/922369357.db2.gz LRQZJGUIIQXWNJ-ZDUSSCGKSA-N 1 1 300.359 -2.236 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3ncccc23)C1 ZINC001380534609 922370899 /nfs/dbraw/zinc/37/08/99/922370899.db2.gz LUHHWNXVSLDJEU-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3ncccc23)C1 ZINC001380534609 922370910 /nfs/dbraw/zinc/37/09/10/922370910.db2.gz LUHHWNXVSLDJEU-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3ncccc23)C1 ZINC001380534600 922370976 /nfs/dbraw/zinc/37/09/76/922370976.db2.gz LUHHWNXVSLDJEU-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3ncccc23)C1 ZINC001380534600 922370987 /nfs/dbraw/zinc/37/09/87/922370987.db2.gz LUHHWNXVSLDJEU-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001380533688 922372074 /nfs/dbraw/zinc/37/20/74/922372074.db2.gz OSNQTIZLODRJLC-IINYFYTJSA-N 1 1 322.369 -1.821 20 0 DAADMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001380533688 922372084 /nfs/dbraw/zinc/37/20/84/922372084.db2.gz OSNQTIZLODRJLC-IINYFYTJSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC001380538687 922373226 /nfs/dbraw/zinc/37/32/26/922373226.db2.gz YUCONDHFHLYGET-CQSZACIVSA-N 1 1 307.354 -1.191 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC001380538687 922373242 /nfs/dbraw/zinc/37/32/42/922373242.db2.gz YUCONDHFHLYGET-CQSZACIVSA-N 1 1 307.354 -1.191 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001380532557 922373543 /nfs/dbraw/zinc/37/35/43/922373543.db2.gz HTEAUUGZSGNUFF-OAHLLOKOSA-N 1 1 323.397 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001380532557 922373557 /nfs/dbraw/zinc/37/35/57/922373557.db2.gz HTEAUUGZSGNUFF-OAHLLOKOSA-N 1 1 323.397 -1.430 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380535304 922373809 /nfs/dbraw/zinc/37/38/09/922373809.db2.gz DQWKRYOKTVWFJG-AWEZNQCLSA-N 1 1 309.370 -1.055 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380535304 922373826 /nfs/dbraw/zinc/37/38/26/922373826.db2.gz DQWKRYOKTVWFJG-AWEZNQCLSA-N 1 1 309.370 -1.055 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001380533503 922374186 /nfs/dbraw/zinc/37/41/86/922374186.db2.gz LCLQKIYAQFOIJC-ZDUSSCGKSA-N 1 1 324.341 -1.968 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001380533503 922374202 /nfs/dbraw/zinc/37/42/02/922374202.db2.gz LCLQKIYAQFOIJC-ZDUSSCGKSA-N 1 1 324.341 -1.968 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001380532850 922374526 /nfs/dbraw/zinc/37/45/26/922374526.db2.gz JPWJNPQLFYLJRP-GXFFZTMASA-N 1 1 323.357 -2.495 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542553 922375598 /nfs/dbraw/zinc/37/55/98/922375598.db2.gz FPXAWNIDBSDZGB-FZMZJTMJSA-N 1 1 314.386 -2.255 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542553 922375612 /nfs/dbraw/zinc/37/56/12/922375612.db2.gz FPXAWNIDBSDZGB-FZMZJTMJSA-N 1 1 314.386 -2.255 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001380545109 922375652 /nfs/dbraw/zinc/37/56/52/922375652.db2.gz RPZAHOLOMQONQO-FZMZJTMJSA-N 1 1 314.386 -1.678 20 0 DAADMO Cc1coc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380546297 922376816 /nfs/dbraw/zinc/37/68/16/922376816.db2.gz GZPYNJUTJXSBAN-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1coc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380546297 922376830 /nfs/dbraw/zinc/37/68/30/922376830.db2.gz GZPYNJUTJXSBAN-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542156 922377655 /nfs/dbraw/zinc/37/76/55/922377655.db2.gz DJYWEVUCWQNJNF-BXUZGUMPSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542156 922377671 /nfs/dbraw/zinc/37/76/71/922377671.db2.gz DJYWEVUCWQNJNF-BXUZGUMPSA-N 1 1 324.385 -1.515 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380540741 922377893 /nfs/dbraw/zinc/37/78/93/922377893.db2.gz AYPYFPQAUCFANG-OAHLLOKOSA-N 1 1 322.365 -1.088 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542159 922378053 /nfs/dbraw/zinc/37/80/53/922378053.db2.gz DJYWEVUCWQNJNF-SMDDNHRTSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001380542159 922378070 /nfs/dbraw/zinc/37/80/70/922378070.db2.gz DJYWEVUCWQNJNF-SMDDNHRTSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547555 922378943 /nfs/dbraw/zinc/37/89/43/922378943.db2.gz AGGFZMUWWXQGRT-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547555 922378957 /nfs/dbraw/zinc/37/89/57/922378957.db2.gz AGGFZMUWWXQGRT-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nc1 ZINC001380546914 922379101 /nfs/dbraw/zinc/37/91/01/922379101.db2.gz YWSSXPZDYURMCA-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nc1 ZINC001380546914 922379115 /nfs/dbraw/zinc/37/91/15/922379115.db2.gz YWSSXPZDYURMCA-LKFCYVNXSA-N 1 1 323.353 -1.474 20 0 DAADMO Cc1coc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380546333 922379212 /nfs/dbraw/zinc/37/92/12/922379212.db2.gz GZPYNJUTJXSBAN-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1coc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001380546333 922379226 /nfs/dbraw/zinc/37/92/26/922379226.db2.gz GZPYNJUTJXSBAN-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001380552526 922380585 /nfs/dbraw/zinc/38/05/85/922380585.db2.gz WZVRQYHXTPSPKG-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001380552526 922380595 /nfs/dbraw/zinc/38/05/95/922380595.db2.gz WZVRQYHXTPSPKG-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO CN1CCN(CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CC1=O ZINC001380551701 922381326 /nfs/dbraw/zinc/38/13/26/922381326.db2.gz VKHIZSAIPGCMHB-AWEZNQCLSA-N 1 1 316.377 -1.717 20 0 DAADMO CN1CCN(CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CC1=O ZINC001380551701 922381337 /nfs/dbraw/zinc/38/13/37/922381337.db2.gz VKHIZSAIPGCMHB-AWEZNQCLSA-N 1 1 316.377 -1.717 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553253 922381449 /nfs/dbraw/zinc/38/14/49/922381449.db2.gz MXRPLZNMFSXMPJ-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553253 922381462 /nfs/dbraw/zinc/38/14/62/922381462.db2.gz MXRPLZNMFSXMPJ-LBPRGKRZSA-N 1 1 313.383 -1.207 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380549173 922381607 /nfs/dbraw/zinc/38/16/07/922381607.db2.gz CFJQAMOGRMISCI-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380549173 922381619 /nfs/dbraw/zinc/38/16/19/922381619.db2.gz CFJQAMOGRMISCI-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1)NC1CC1 ZINC001380548297 922381937 /nfs/dbraw/zinc/38/19/37/922381937.db2.gz FOXPYLYMTYZWQZ-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1)NC1CC1 ZINC001380548297 922381947 /nfs/dbraw/zinc/38/19/47/922381947.db2.gz FOXPYLYMTYZWQZ-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380550741 922382135 /nfs/dbraw/zinc/38/21/35/922382135.db2.gz IGVPLVDEMHSJFA-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380550741 922382152 /nfs/dbraw/zinc/38/21/52/922382152.db2.gz IGVPLVDEMHSJFA-SMDDNHRTSA-N 1 1 323.353 -1.283 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)N2CCC2)C1 ZINC001380552182 922382591 /nfs/dbraw/zinc/38/25/91/922382591.db2.gz JRDYZCXJGQQMFA-CJNGLKHVSA-N 1 1 324.425 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001380552524 922382692 /nfs/dbraw/zinc/38/26/92/922382692.db2.gz WZVRQYHXTPSPKG-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001380552524 922382708 /nfs/dbraw/zinc/38/27/08/922382708.db2.gz WZVRQYHXTPSPKG-ABAIWWIYSA-N 1 1 321.381 -1.516 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001380551836 922384010 /nfs/dbraw/zinc/38/40/10/922384010.db2.gz WPKXFBHAMXRONK-AWEZNQCLSA-N 1 1 314.386 -1.663 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1)NC1CC1 ZINC001380548299 922384841 /nfs/dbraw/zinc/38/48/41/922384841.db2.gz FOXPYLYMTYZWQZ-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1)NC1CC1 ZINC001380548299 922384857 /nfs/dbraw/zinc/38/48/57/922384857.db2.gz FOXPYLYMTYZWQZ-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001380552688 922385393 /nfs/dbraw/zinc/38/53/93/922385393.db2.gz NJGIDOGQKYUDCP-RISCZKNCSA-N 1 1 322.369 -1.740 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554560 922386489 /nfs/dbraw/zinc/38/64/89/922386489.db2.gz NUFLYNIXJFQWFA-TVQRCGJNSA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554560 922386503 /nfs/dbraw/zinc/38/65/03/922386503.db2.gz NUFLYNIXJFQWFA-TVQRCGJNSA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555951 922386711 /nfs/dbraw/zinc/38/67/11/922386711.db2.gz RRYMZHMWGNCTMC-SDBXPKJASA-N 1 1 313.333 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555951 922386727 /nfs/dbraw/zinc/38/67/27/922386727.db2.gz RRYMZHMWGNCTMC-SDBXPKJASA-N 1 1 313.333 -1.150 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380557499 922387074 /nfs/dbraw/zinc/38/70/74/922387074.db2.gz JXCUKNWEIBJMBL-RISCZKNCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380557499 922387084 /nfs/dbraw/zinc/38/70/84/922387084.db2.gz JXCUKNWEIBJMBL-RISCZKNCSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380555505 922387159 /nfs/dbraw/zinc/38/71/59/922387159.db2.gz QFZLPOXPMUSNMK-QMTHXVAHSA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380555505 922387175 /nfs/dbraw/zinc/38/71/75/922387175.db2.gz QFZLPOXPMUSNMK-QMTHXVAHSA-N 1 1 324.385 -1.620 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380557483 922387261 /nfs/dbraw/zinc/38/72/61/922387261.db2.gz JTGCVYXQPPUHPT-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ncccc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380557483 922387278 /nfs/dbraw/zinc/38/72/78/922387278.db2.gz JTGCVYXQPPUHPT-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001380558211 922387683 /nfs/dbraw/zinc/38/76/83/922387683.db2.gz YNKLGCPRTYXRFJ-GXTWGEPZSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](OC)C(C)C)C1 ZINC001380558211 922387696 /nfs/dbraw/zinc/38/76/96/922387696.db2.gz YNKLGCPRTYXRFJ-GXTWGEPZSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558671 922387843 /nfs/dbraw/zinc/38/78/43/922387843.db2.gz UTZOYVQSYGVBSW-RISCZKNCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558671 922387852 /nfs/dbraw/zinc/38/78/52/922387852.db2.gz UTZOYVQSYGVBSW-RISCZKNCSA-N 1 1 309.370 -1.128 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380554073 922387969 /nfs/dbraw/zinc/38/79/69/922387969.db2.gz QGASCHHKTCLCEP-QMTHXVAHSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380554073 922387984 /nfs/dbraw/zinc/38/79/84/922387984.db2.gz QGASCHHKTCLCEP-QMTHXVAHSA-N 1 1 307.354 -1.606 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557586 922388197 /nfs/dbraw/zinc/38/81/97/922388197.db2.gz VVVXPLAQLHVOKF-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557586 922388213 /nfs/dbraw/zinc/38/82/13/922388213.db2.gz VVVXPLAQLHVOKF-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO Cn1nnc(CN2CC[C@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001380554590 922388305 /nfs/dbraw/zinc/38/83/05/922388305.db2.gz OCDJFSPINPIXDH-RISCZKNCSA-N 1 1 323.401 -1.643 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001380558772 922388382 /nfs/dbraw/zinc/38/83/82/922388382.db2.gz ODOZOAKSCKFNSI-ABAIWWIYSA-N 1 1 309.366 -1.067 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001380555788 922388512 /nfs/dbraw/zinc/38/85/12/922388512.db2.gz OIZVKRDSQNWSTR-JQWIXIFHSA-N 1 1 307.416 -1.115 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380554861 922388630 /nfs/dbraw/zinc/38/86/30/922388630.db2.gz RABAFRTWPXSVQY-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380554861 922388644 /nfs/dbraw/zinc/38/86/44/922388644.db2.gz RABAFRTWPXSVQY-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380556912 922388672 /nfs/dbraw/zinc/38/86/72/922388672.db2.gz QHCJGECYSLEQNQ-NHYWBVRUSA-N 1 1 324.381 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001380556690 922389862 /nfs/dbraw/zinc/38/98/62/922389862.db2.gz SUBZJAJLYDPLEB-ZDUSSCGKSA-N 1 1 323.340 -1.091 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001380556690 922389879 /nfs/dbraw/zinc/38/98/79/922389879.db2.gz SUBZJAJLYDPLEB-ZDUSSCGKSA-N 1 1 323.340 -1.091 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380559612 922392307 /nfs/dbraw/zinc/39/23/07/922392307.db2.gz ZSZYOVPQHNZVMS-IINYFYTJSA-N 1 1 310.354 -1.453 20 0 DAADMO CCNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380564753 922392583 /nfs/dbraw/zinc/39/25/83/922392583.db2.gz LPNRQDZDPRHJIZ-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO CCNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380564753 922392593 /nfs/dbraw/zinc/39/25/93/922392593.db2.gz LPNRQDZDPRHJIZ-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380565034 922392662 /nfs/dbraw/zinc/39/26/62/922392662.db2.gz GHSCERYHZPNUML-CQSZACIVSA-N 1 1 319.369 -1.272 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001380565018 922393490 /nfs/dbraw/zinc/39/34/90/922393490.db2.gz FPMSNWBDIBFWHI-SMDDNHRTSA-N 1 1 309.370 -1.429 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3ccccc3n2)C1 ZINC001380569484 922394003 /nfs/dbraw/zinc/39/40/03/922394003.db2.gz IEKJKKDAVQVOCH-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn3ccccc3n2)C1 ZINC001380569484 922394011 /nfs/dbraw/zinc/39/40/11/922394011.db2.gz IEKJKKDAVQVOCH-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001380559503 922394611 /nfs/dbraw/zinc/39/46/11/922394611.db2.gz YRUJGSMYFFLQRE-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001380570248 922395783 /nfs/dbraw/zinc/39/57/83/922395783.db2.gz HCVCASKDQUZCLG-LBPRGKRZSA-N 1 1 307.416 -1.255 20 0 DAADMO Cc1nc(C)c(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c(=O)[nH]1 ZINC001380573866 922395815 /nfs/dbraw/zinc/39/58/15/922395815.db2.gz ONIIFIZFQGHNCL-HNNXBMFYSA-N 1 1 324.381 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572392 922396386 /nfs/dbraw/zinc/39/63/86/922396386.db2.gz MCRICZFEXNESDE-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572392 922396400 /nfs/dbraw/zinc/39/64/00/922396400.db2.gz MCRICZFEXNESDE-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572393 922397303 /nfs/dbraw/zinc/39/73/03/922397303.db2.gz MCRICZFEXNESDE-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001380572393 922397314 /nfs/dbraw/zinc/39/73/14/922397314.db2.gz MCRICZFEXNESDE-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1nncc1CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380575369 922398809 /nfs/dbraw/zinc/39/88/09/922398809.db2.gz SDARFRFBUPKWDX-SWLSCSKDSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380575660 922399590 /nfs/dbraw/zinc/39/95/90/922399590.db2.gz SPPXIBXAOHSKQD-AWEZNQCLSA-N 1 1 324.385 -1.469 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380575660 922399603 /nfs/dbraw/zinc/39/96/03/922399603.db2.gz SPPXIBXAOHSKQD-AWEZNQCLSA-N 1 1 324.385 -1.469 20 0 DAADMO CC(C)OCCN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001380578882 922400344 /nfs/dbraw/zinc/40/03/44/922400344.db2.gz TYLSEYOXPSEKJU-CYBMUJFWSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)OCCN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001380578882 922400357 /nfs/dbraw/zinc/40/03/57/922400357.db2.gz TYLSEYOXPSEKJU-CYBMUJFWSA-N 1 1 315.414 -1.095 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001380575653 922400524 /nfs/dbraw/zinc/40/05/24/922400524.db2.gz SMSNRNSXDKGBJO-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001380576315 922401115 /nfs/dbraw/zinc/40/11/15/922401115.db2.gz UXBKLHPFEZXRKM-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001380583152 922402293 /nfs/dbraw/zinc/40/22/93/922402293.db2.gz ZDYSTYLRGZRZCD-NEPJUHHUSA-N 1 1 310.398 -1.526 20 0 DAADMO CCCNC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380581783 922404188 /nfs/dbraw/zinc/40/41/88/922404188.db2.gz PRKZDWDDPDGKIR-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001380602164 922413974 /nfs/dbraw/zinc/41/39/74/922413974.db2.gz VFCCTWNEVPXBLK-LBPRGKRZSA-N 1 1 322.413 -1.038 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001380602383 922414190 /nfs/dbraw/zinc/41/41/90/922414190.db2.gz WTSOOPZKDKYMLG-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001380601936 922414426 /nfs/dbraw/zinc/41/44/26/922414426.db2.gz VFCCTWNEVPXBLK-GFCCVEGCSA-N 1 1 322.413 -1.038 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001380611082 922417094 /nfs/dbraw/zinc/41/70/94/922417094.db2.gz BRIGCYMFIQOTBD-TUAOUCFPSA-N 1 1 311.382 -1.303 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2cn(C)nn2)C1 ZINC001380606481 922418014 /nfs/dbraw/zinc/41/80/14/922418014.db2.gz RTHWIRJDBQGPNP-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001380611573 922418272 /nfs/dbraw/zinc/41/82/72/922418272.db2.gz DNDXLXYLNPPYBY-CYBMUJFWSA-N 1 1 322.413 -1.217 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001380629429 922424898 /nfs/dbraw/zinc/42/48/98/922424898.db2.gz ZECJKIOGLLCLOM-LLVKDONJSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001380637129 922428991 /nfs/dbraw/zinc/42/89/91/922428991.db2.gz ZEWBYFUYDXTMEG-NSHDSACASA-N 1 1 309.370 -1.063 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380642160 922430231 /nfs/dbraw/zinc/43/02/31/922430231.db2.gz LTKFXPWDZOMHOA-NWDGAFQWSA-N 1 1 312.414 -1.422 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001380644704 922430649 /nfs/dbraw/zinc/43/06/49/922430649.db2.gz TUPQCBTWISMAMC-NSHDSACASA-N 1 1 323.401 -1.785 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001380645308 922431876 /nfs/dbraw/zinc/43/18/76/922431876.db2.gz WTTIIKYLZYAHBZ-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001380649182 922433724 /nfs/dbraw/zinc/43/37/24/922433724.db2.gz HFMSHHTYSGBLJK-UHFFFAOYSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664890 922436487 /nfs/dbraw/zinc/43/64/87/922436487.db2.gz UNUBAIDMCWALNP-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664890 922436494 /nfs/dbraw/zinc/43/64/94/922436494.db2.gz UNUBAIDMCWALNP-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001380680867 922436571 /nfs/dbraw/zinc/43/65/71/922436571.db2.gz MYTBQFFYVAOEAO-VHSXEESVSA-N 1 1 322.369 -1.169 20 0 DAADMO CO[C@H](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001380698954 922437845 /nfs/dbraw/zinc/43/78/45/922437845.db2.gz FDVMFQNEOUIXMU-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO CCOCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@H]2C1 ZINC001380700026 922438247 /nfs/dbraw/zinc/43/82/47/922438247.db2.gz FWDUUOUGTLWQCD-PHIMTYICSA-N 1 1 312.370 -1.131 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cccn3)C[C@H]2C1 ZINC001380703678 922439676 /nfs/dbraw/zinc/43/96/76/922439676.db2.gz SLWBZLIPGNOEIO-PHIMTYICSA-N 1 1 320.353 -1.532 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001380709415 922439885 /nfs/dbraw/zinc/43/98/85/922439885.db2.gz TVMDUHXSRUUSKB-WYUUTHIRSA-N 1 1 308.382 -1.223 20 0 DAADMO CN(CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)S(C)(=O)=O ZINC001380705391 922440032 /nfs/dbraw/zinc/44/00/32/922440032.db2.gz NRIVBNUNFWFANG-AOOOYVTPSA-N 1 1 318.399 -2.247 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001380708075 922440134 /nfs/dbraw/zinc/44/01/34/922440134.db2.gz OLELMUJUTPZVQS-OUAUKWLOSA-N 1 1 310.358 -1.779 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001380707706 922441345 /nfs/dbraw/zinc/44/13/45/922441345.db2.gz YPIMMPMCBDNKEO-MLGHIDQZSA-N 1 1 311.382 -1.495 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1ccc2nnnn2c1 ZINC001380737385 922443617 /nfs/dbraw/zinc/44/36/17/922443617.db2.gz APMCYFQDRMUARH-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001380748998 922447156 /nfs/dbraw/zinc/44/71/56/922447156.db2.gz MCNIJADDMJFQIB-AWEZNQCLSA-N 1 1 324.385 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001380745217 922448105 /nfs/dbraw/zinc/44/81/05/922448105.db2.gz KZROWQSOPRIXLA-DGCLKSJQSA-N 1 1 312.374 -1.613 20 0 DAADMO Cc1nc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c(=O)[nH]c1C ZINC001380745137 922448475 /nfs/dbraw/zinc/44/84/75/922448475.db2.gz JEZCFRHYDBWYMM-HNNXBMFYSA-N 1 1 324.381 -1.064 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001380762847 922451443 /nfs/dbraw/zinc/45/14/43/922451443.db2.gz BDXPZGKNJGNNMM-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 ZINC001380763350 922452187 /nfs/dbraw/zinc/45/21/87/922452187.db2.gz JBNSDAWBQOUGHY-IEBDPFPHSA-N 1 1 324.385 -1.294 20 0 DAADMO CN1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001380767869 922455677 /nfs/dbraw/zinc/45/56/77/922455677.db2.gz RCRXRHRVSNMZGF-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001380799276 922458851 /nfs/dbraw/zinc/45/88/51/922458851.db2.gz ZZYHVCSFCGWQBA-SDDRHHMPSA-N 1 1 324.385 -1.246 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001380834366 922463294 /nfs/dbraw/zinc/46/32/94/922463294.db2.gz SOMOKIZNUSLKOW-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001380829148 922464372 /nfs/dbraw/zinc/46/43/72/922464372.db2.gz GPPHTYSXJAOQNM-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001380829147 922465500 /nfs/dbraw/zinc/46/55/00/922465500.db2.gz GPPHTYSXJAOQNM-GFCCVEGCSA-N 1 1 309.370 -1.245 20 0 DAADMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)CNC(C)=O)CCO2)nn1 ZINC001380894460 922470396 /nfs/dbraw/zinc/47/03/96/922470396.db2.gz BBAZXDTWVYICLL-ZDUSSCGKSA-N 1 1 324.385 -1.249 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001380904030 922472320 /nfs/dbraw/zinc/47/23/20/922472320.db2.gz OUBZSYDPWYSJAK-GXFFZTMASA-N 1 1 324.385 -1.343 20 0 DAADMO CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)Cn1ncnn1 ZINC001380959286 922480341 /nfs/dbraw/zinc/48/03/41/922480341.db2.gz ZQTPQPMFDUZZKC-UHFFFAOYSA-N 1 1 324.389 -1.521 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC1CC1)C(=O)c1nnn(C)n1 ZINC001380968222 922484820 /nfs/dbraw/zinc/48/48/20/922484820.db2.gz WOWBZNKGVHMZAE-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001380992702 922487090 /nfs/dbraw/zinc/48/70/90/922487090.db2.gz NERNYVZYKRFPFG-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)O2 ZINC001380997430 922487620 /nfs/dbraw/zinc/48/76/20/922487620.db2.gz DLMSJPGTFAHIGJ-NSHDSACASA-N 1 1 309.370 -1.049 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001381013116 922489961 /nfs/dbraw/zinc/48/99/61/922489961.db2.gz DUMVIHFNRYJFDG-NSHDSACASA-N 1 1 317.411 -1.095 20 0 DAADMO C[N@H+](CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1)C1CCC1 ZINC001381039386 922492401 /nfs/dbraw/zinc/49/24/01/922492401.db2.gz AWEVCKGYGLDWMP-HNNXBMFYSA-N 1 1 312.414 -1.101 20 0 DAADMO C[N@@H+](CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1)C1CCC1 ZINC001381039386 922492411 /nfs/dbraw/zinc/49/24/11/922492411.db2.gz AWEVCKGYGLDWMP-HNNXBMFYSA-N 1 1 312.414 -1.101 20 0 DAADMO CNC(=O)CN[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001381055885 922493358 /nfs/dbraw/zinc/49/33/58/922493358.db2.gz PQAFOUSSDKCWEZ-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)CN[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381055885 922493365 /nfs/dbraw/zinc/49/33/65/922493365.db2.gz PQAFOUSSDKCWEZ-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1nc(CC(=O)NC2(C[NH2+][C@@H](C)C(N)=O)CCOCC2)n[nH]1 ZINC001381061715 922496171 /nfs/dbraw/zinc/49/61/71/922496171.db2.gz PZVDJAYMMGXKIG-VIFPVBQESA-N 1 1 324.385 -1.216 20 0 DAADMO CN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001381076117 922496441 /nfs/dbraw/zinc/49/64/41/922496441.db2.gz CBLRQBJNLKCIIE-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001381076117 922496457 /nfs/dbraw/zinc/49/64/57/922496457.db2.gz CBLRQBJNLKCIIE-OLZOCXBDSA-N 1 1 310.398 -1.308 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)C1 ZINC001381082002 922497256 /nfs/dbraw/zinc/49/72/56/922497256.db2.gz UKAFMMRZTOVBEY-GFCCVEGCSA-N 1 1 319.427 -1.494 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)C1 ZINC001381082002 922497265 /nfs/dbraw/zinc/49/72/65/922497265.db2.gz UKAFMMRZTOVBEY-GFCCVEGCSA-N 1 1 319.427 -1.494 20 0 DAADMO Cc1nc(CC(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)n[nH]1 ZINC001381059376 922497695 /nfs/dbraw/zinc/49/76/95/922497695.db2.gz AUXVDOXVDNUHQE-UHFFFAOYSA-N 1 1 310.358 -1.604 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001381096402 922498377 /nfs/dbraw/zinc/49/83/77/922498377.db2.gz KSZBOWKPUXZQCJ-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO COC[C@@H](O)C[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001381063597 922498476 /nfs/dbraw/zinc/49/84/76/922498476.db2.gz UACIBGJGDIRCLS-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001381109246 922499953 /nfs/dbraw/zinc/49/99/53/922499953.db2.gz OLHUEZJQJOQPRS-VHSXEESVSA-N 1 1 309.374 -1.198 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001381099828 922500407 /nfs/dbraw/zinc/50/04/07/922500407.db2.gz YXTOMSHEFWGWEH-KOLCDFICSA-N 1 1 309.374 -1.319 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001381158073 922507458 /nfs/dbraw/zinc/50/74/58/922507458.db2.gz SARKHNLQIROMKF-NSHDSACASA-N 1 1 323.353 -1.209 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381183974 922507758 /nfs/dbraw/zinc/50/77/58/922507758.db2.gz BWSYTDCXFHCQCI-QWRGUYRKSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001381164777 922508693 /nfs/dbraw/zinc/50/86/93/922508693.db2.gz BCMQXUWQZKRRGF-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001381164777 922508708 /nfs/dbraw/zinc/50/87/08/922508708.db2.gz BCMQXUWQZKRRGF-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381183972 922508853 /nfs/dbraw/zinc/50/88/53/922508853.db2.gz BWSYTDCXFHCQCI-GHMZBOCLSA-N 1 1 321.385 -1.412 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001381210345 922511096 /nfs/dbraw/zinc/51/10/96/922511096.db2.gz UATORQAXZLUNOT-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(Cc1nc[nH]n1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001381256173 922514142 /nfs/dbraw/zinc/51/41/42/922514142.db2.gz JPHGLKDADRNTOM-SNVBAGLBSA-N 1 1 322.369 -1.821 20 0 DAADMO CC[N@H+](CC(=O)NC)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001381255363 922516016 /nfs/dbraw/zinc/51/60/16/922516016.db2.gz KERMTDUDXICBFO-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO O=C(NC1(CO)CC[NH+](CCF)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001381268088 922516187 /nfs/dbraw/zinc/51/61/87/922516187.db2.gz NQCQSKYWOPXUCF-SNVBAGLBSA-N 1 1 323.390 -1.409 20 0 DAADMO CCC(=O)NC1(CO)CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001381241175 922516212 /nfs/dbraw/zinc/51/62/12/922516212.db2.gz MTTHANGFSDMUBT-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001381303929 922517388 /nfs/dbraw/zinc/51/73/88/922517388.db2.gz ZXIHICKSXODKOX-FVCCEPFGSA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001381303929 922517404 /nfs/dbraw/zinc/51/74/04/922517404.db2.gz ZXIHICKSXODKOX-FVCCEPFGSA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001381303931 922517588 /nfs/dbraw/zinc/51/75/88/922517588.db2.gz ZXIHICKSXODKOX-RVMXOQNASA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001381303931 922517599 /nfs/dbraw/zinc/51/75/99/922517599.db2.gz ZXIHICKSXODKOX-RVMXOQNASA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001381295014 922518433 /nfs/dbraw/zinc/51/84/33/922518433.db2.gz MRJYBXCBWALUDY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001381295014 922518439 /nfs/dbraw/zinc/51/84/39/922518439.db2.gz MRJYBXCBWALUDY-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001381313657 922519147 /nfs/dbraw/zinc/51/91/47/922519147.db2.gz DFTSUTKYVXKVGQ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001381391706 922523622 /nfs/dbraw/zinc/52/36/22/922523622.db2.gz DYYZARCSUXCZTC-IUCAKERBSA-N 1 1 323.357 -2.141 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001381364134 922524340 /nfs/dbraw/zinc/52/43/40/922524340.db2.gz PKJFXUGBLJQHBA-DTWKUNHWSA-N 1 1 312.378 -1.488 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001381391707 922524718 /nfs/dbraw/zinc/52/47/18/922524718.db2.gz DYYZARCSUXCZTC-RKDXNWHRSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001381391704 922524773 /nfs/dbraw/zinc/52/47/73/922524773.db2.gz DYYZARCSUXCZTC-BDAKNGLRSA-N 1 1 323.357 -2.141 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001381406709 922525607 /nfs/dbraw/zinc/52/56/07/922525607.db2.gz WVNIEFKNEZGFHV-DTWKUNHWSA-N 1 1 323.357 -1.044 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001381406730 922526592 /nfs/dbraw/zinc/52/65/92/922526592.db2.gz WVNIEFKNEZGFHV-RKDXNWHRSA-N 1 1 323.357 -1.044 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001381403541 922527078 /nfs/dbraw/zinc/52/70/78/922527078.db2.gz UNNHTHRAFZXALC-NXEZZACHSA-N 1 1 323.401 -1.472 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001381519243 922530780 /nfs/dbraw/zinc/53/07/80/922530780.db2.gz YOUHKDAZHKRBTR-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001381519243 922530793 /nfs/dbraw/zinc/53/07/93/922530793.db2.gz YOUHKDAZHKRBTR-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001381511167 922531867 /nfs/dbraw/zinc/53/18/67/922531867.db2.gz WXMLNZTWUHZVHT-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001381560823 922534719 /nfs/dbraw/zinc/53/47/19/922534719.db2.gz YEZOZCCKVDBSDQ-SFYZADRCSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381560823 922534730 /nfs/dbraw/zinc/53/47/30/922534730.db2.gz YEZOZCCKVDBSDQ-SFYZADRCSA-N 1 1 309.392 -2.650 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)N1CCC1 ZINC001381563262 922534870 /nfs/dbraw/zinc/53/48/70/922534870.db2.gz DZKJQZJNQZRFRC-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)N1CCC1 ZINC001381563262 922534873 /nfs/dbraw/zinc/53/48/73/922534873.db2.gz DZKJQZJNQZRFRC-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001381570508 922535217 /nfs/dbraw/zinc/53/52/17/922535217.db2.gz YWXMRUDMLVGTHQ-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001381560667 922536656 /nfs/dbraw/zinc/53/66/56/922536656.db2.gz XJRTXZFONPDPLF-MNOVXSKESA-N 1 1 319.427 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)N(C)C ZINC001381623402 922537392 /nfs/dbraw/zinc/53/73/92/922537392.db2.gz YNLJJVRGKIBWIN-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)N(C)C ZINC001381623402 922537403 /nfs/dbraw/zinc/53/74/03/922537403.db2.gz YNLJJVRGKIBWIN-VHSXEESVSA-N 1 1 322.431 -1.422 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001381632498 922537976 /nfs/dbraw/zinc/53/79/76/922537976.db2.gz BLFKUCWAWFVEKE-QWHCGFSZSA-N 1 1 314.382 -1.009 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001381586915 922540256 /nfs/dbraw/zinc/54/02/56/922540256.db2.gz WNEQJUGPWANMHJ-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001381586915 922540270 /nfs/dbraw/zinc/54/02/70/922540270.db2.gz WNEQJUGPWANMHJ-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001381585197 922540515 /nfs/dbraw/zinc/54/05/15/922540515.db2.gz DUMLLQHBYJNUIW-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001381585197 922540522 /nfs/dbraw/zinc/54/05/22/922540522.db2.gz DUMLLQHBYJNUIW-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001381585194 922540725 /nfs/dbraw/zinc/54/07/25/922540725.db2.gz DUMLLQHBYJNUIW-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001381585194 922540736 /nfs/dbraw/zinc/54/07/36/922540736.db2.gz DUMLLQHBYJNUIW-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001381772016 922551691 /nfs/dbraw/zinc/55/16/91/922551691.db2.gz CPNHOLODFWODBZ-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC001381770183 922552347 /nfs/dbraw/zinc/55/23/47/922552347.db2.gz FTDNFJBNXANJMY-NXEZZACHSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001381791462 922556204 /nfs/dbraw/zinc/55/62/04/922556204.db2.gz MDKYVTBAACXMDR-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC(=O)N1CC[C@@]2(C1)C[N@H+](C[C@H](O)COC)CCO2 ZINC001381837119 922558043 /nfs/dbraw/zinc/55/80/43/922558043.db2.gz CHOSTDYPNWVTMV-JSGCOSHPSA-N 1 1 302.371 -1.057 20 0 DAADMO COCC(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@H](O)COC)CCO2 ZINC001381837119 922558058 /nfs/dbraw/zinc/55/80/58/922558058.db2.gz CHOSTDYPNWVTMV-JSGCOSHPSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381813713 922558089 /nfs/dbraw/zinc/55/80/89/922558089.db2.gz OTMAYJZGNZQQHB-PWSUYJOCSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001381817662 922558855 /nfs/dbraw/zinc/55/88/55/922558855.db2.gz JGQITVCVGYVILY-SNVBAGLBSA-N 1 1 306.370 -1.007 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001381848974 922561126 /nfs/dbraw/zinc/56/11/26/922561126.db2.gz NRHBTUGMEXQTLT-GFCCVEGCSA-N 1 1 320.415 -1.637 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)C(C)(C)C1 ZINC001381857730 922561758 /nfs/dbraw/zinc/56/17/58/922561758.db2.gz UCPVCMXWCGYYCZ-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)CNC(C)=O)C(C)(C)C1 ZINC001381857732 922562135 /nfs/dbraw/zinc/56/21/35/922562135.db2.gz UCPVCMXWCGYYCZ-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001381887960 922564786 /nfs/dbraw/zinc/56/47/86/922564786.db2.gz FJRRUOAQZNKUJK-ZSOGYDGISA-N 1 1 322.409 -1.057 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCOC3)[C@@H]2C1 ZINC001381881695 922564878 /nfs/dbraw/zinc/56/48/78/922564878.db2.gz NYWZAMOLXVPXHE-FIQHERPVSA-N 1 1 324.381 -1.098 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001381917340 922565939 /nfs/dbraw/zinc/56/59/39/922565939.db2.gz TYNPYGYYWNWYDH-CNDDSTCGSA-N 1 1 321.385 -1.507 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928402 922566110 /nfs/dbraw/zinc/56/61/10/922566110.db2.gz KWOQEWZNGWMMSO-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnon1 ZINC001381928402 922566125 /nfs/dbraw/zinc/56/61/25/922566125.db2.gz KWOQEWZNGWMMSO-ONGXEEELSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001381921796 922567757 /nfs/dbraw/zinc/56/77/57/922567757.db2.gz CZMLZORSRXWECC-KOLCDFICSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001381921796 922567764 /nfs/dbraw/zinc/56/77/64/922567764.db2.gz CZMLZORSRXWECC-KOLCDFICSA-N 1 1 310.358 -1.572 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001381929639 922570926 /nfs/dbraw/zinc/57/09/26/922570926.db2.gz OROQVBNVJNIAQE-GFCCVEGCSA-N 1 1 324.385 -1.395 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC001381988129 922574982 /nfs/dbraw/zinc/57/49/82/922574982.db2.gz KVWLYZZSHOHDKT-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001381981362 922576485 /nfs/dbraw/zinc/57/64/85/922576485.db2.gz NAECFWCOLNDHNH-UHFFFAOYSA-N 1 1 322.427 -1.037 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001382014926 922576590 /nfs/dbraw/zinc/57/65/90/922576590.db2.gz BJLFICRMXKFQJY-LBPRGKRZSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001382046805 922579732 /nfs/dbraw/zinc/57/97/32/922579732.db2.gz HQBVDYLGTWZXBA-SNVBAGLBSA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001382113735 922585383 /nfs/dbraw/zinc/58/53/83/922585383.db2.gz BNODSTACPWBOFZ-BDAKNGLRSA-N 1 1 310.362 -1.830 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001382113741 922585899 /nfs/dbraw/zinc/58/58/99/922585899.db2.gz BNODSTACPWBOFZ-IUCAKERBSA-N 1 1 310.362 -1.830 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001382135773 922587633 /nfs/dbraw/zinc/58/76/33/922587633.db2.gz GBTYFHQTVAAHST-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001382131414 922587720 /nfs/dbraw/zinc/58/77/20/922587720.db2.gz CANXMPMICRGCHE-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CCn2cncn2)n1 ZINC001382176166 922593506 /nfs/dbraw/zinc/59/35/06/922593506.db2.gz KGUIILZWXJSZCD-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180888 922597180 /nfs/dbraw/zinc/59/71/80/922597180.db2.gz VJQNIFDAFSEPKZ-MNOVXSKESA-N 1 1 320.357 -1.401 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001382190666 922604297 /nfs/dbraw/zinc/60/42/97/922604297.db2.gz OVWWFVNPKXKVOO-JTQLQIEISA-N 1 1 319.383 -1.152 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001382192740 922604573 /nfs/dbraw/zinc/60/45/73/922604573.db2.gz XDMJGAMEWGSUNT-MNOVXSKESA-N 1 1 324.337 -1.235 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001382192741 922605005 /nfs/dbraw/zinc/60/50/05/922605005.db2.gz XDMJGAMEWGSUNT-QWRGUYRKSA-N 1 1 324.337 -1.235 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@H]1CCNC(=O)C1 ZINC001382194697 922606970 /nfs/dbraw/zinc/60/69/70/922606970.db2.gz CGJVDVSIXKRUEB-IUCAKERBSA-N 1 1 313.383 -1.369 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2nccnc2C)C1 ZINC001382199633 922612278 /nfs/dbraw/zinc/61/22/78/922612278.db2.gz MSMJDOKGQNSYHI-ZDUSSCGKSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001382202702 922613630 /nfs/dbraw/zinc/61/36/30/922613630.db2.gz ALOYQUGZQVMIRS-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccns1)C1CS(=O)(=O)C1 ZINC001382204122 922614639 /nfs/dbraw/zinc/61/46/39/922614639.db2.gz FVZOUUOBNMCLQD-VIFPVBQESA-N 1 1 319.408 -1.246 20 0 DAADMO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)NC(N)=O ZINC001382211766 922619052 /nfs/dbraw/zinc/61/90/52/922619052.db2.gz IEEVONXGPUFLST-MWLCHTKSSA-N 1 1 312.374 -1.566 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)c1cn[nH]c(=O)c1 ZINC001382216072 922621949 /nfs/dbraw/zinc/62/19/49/922621949.db2.gz VEKIQXRYNOIZHA-QMMMGPOBSA-N 1 1 310.339 -1.086 20 0 DAADMO NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001382212200 922622915 /nfs/dbraw/zinc/62/29/15/922622915.db2.gz NQZOGHOQRCTGKN-DGCLKSJQSA-N 1 1 312.414 -1.055 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001382230148 922630488 /nfs/dbraw/zinc/63/04/88/922630488.db2.gz LZYCWUNFDUBXPA-WDEREUQCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2coc(C(N)=O)c2)n1 ZINC001382229265 922631300 /nfs/dbraw/zinc/63/13/00/922631300.db2.gz GFRCZFJYKXNKIH-LLVKDONJSA-N 1 1 321.337 -1.008 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)nn1C ZINC001382231944 922632327 /nfs/dbraw/zinc/63/23/27/922632327.db2.gz CEFPWTARXAGEMP-QWHCGFSZSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382237963 922635384 /nfs/dbraw/zinc/63/53/84/922635384.db2.gz DYRDGGFYCNGKGM-NSHDSACASA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CNC(=O)N1 ZINC001382239236 922638597 /nfs/dbraw/zinc/63/85/97/922638597.db2.gz UBOHIMQEHKPLGW-JQWIXIFHSA-N 1 1 322.369 -1.923 20 0 DAADMO C[C@H](C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001382253438 922644207 /nfs/dbraw/zinc/64/42/07/922644207.db2.gz LFSZNWYRJLGHRJ-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@H](C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001382253438 922644212 /nfs/dbraw/zinc/64/42/12/922644212.db2.gz LFSZNWYRJLGHRJ-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+][C@@H](CO)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001382253428 922645272 /nfs/dbraw/zinc/64/52/72/922645272.db2.gz LFSZNWYRJLGHRJ-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@@H](C[NH2+][C@@H](CO)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001382253428 922645284 /nfs/dbraw/zinc/64/52/84/922645284.db2.gz LFSZNWYRJLGHRJ-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)on1 ZINC001382254824 922645376 /nfs/dbraw/zinc/64/53/76/922645376.db2.gz ZXXQEAHLFBMNQX-MWLCHTKSSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001382253474 922645738 /nfs/dbraw/zinc/64/57/38/922645738.db2.gz KTZRHXWQIFZJOB-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001382261992 922647696 /nfs/dbraw/zinc/64/76/96/922647696.db2.gz XNQUZYLPDIPYFY-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001382261992 922647704 /nfs/dbraw/zinc/64/77/04/922647704.db2.gz XNQUZYLPDIPYFY-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382266705 922653180 /nfs/dbraw/zinc/65/31/80/922653180.db2.gz MGOODYQIENMHPF-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382266705 922653193 /nfs/dbraw/zinc/65/31/93/922653193.db2.gz MGOODYQIENMHPF-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001382266306 922653422 /nfs/dbraw/zinc/65/34/22/922653422.db2.gz LVURPAQNLQGOIK-QMMMGPOBSA-N 1 1 309.388 -2.248 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382268492 922655416 /nfs/dbraw/zinc/65/54/16/922655416.db2.gz XGWJXYSVKQWMCI-NWDGAFQWSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382268492 922655430 /nfs/dbraw/zinc/65/54/30/922655430.db2.gz XGWJXYSVKQWMCI-NWDGAFQWSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382268491 922655920 /nfs/dbraw/zinc/65/59/20/922655920.db2.gz XGWJXYSVKQWMCI-NEPJUHHUSA-N 1 1 300.403 -1.517 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268491 922655941 /nfs/dbraw/zinc/65/59/41/922655941.db2.gz XGWJXYSVKQWMCI-NEPJUHHUSA-N 1 1 300.403 -1.517 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)nn1C ZINC001382284329 922668431 /nfs/dbraw/zinc/66/84/31/922668431.db2.gz OAFUSPJMQGFODL-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)cn1 ZINC001382289159 922668633 /nfs/dbraw/zinc/66/86/33/922668633.db2.gz XEJIPSKRMCLJPZ-GFCCVEGCSA-N 1 1 305.342 -1.357 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCNC(N)=O ZINC001382303838 922674088 /nfs/dbraw/zinc/67/40/88/922674088.db2.gz MTFCVTPPQKSVCZ-MWLCHTKSSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CNC(=O)C1CC1 ZINC001382301450 922674262 /nfs/dbraw/zinc/67/42/62/922674262.db2.gz KNTSEYZVVYAVPA-MWLCHTKSSA-N 1 1 321.385 -1.185 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001382301995 922674384 /nfs/dbraw/zinc/67/43/84/922674384.db2.gz MKQYKYPTXPXXQM-NXEZZACHSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCNC(N)=O ZINC001382303534 922675818 /nfs/dbraw/zinc/67/58/18/922675818.db2.gz MTFCVTPPQKSVCZ-GXSJLCMTSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CCNC(N)=O ZINC001382321571 922683259 /nfs/dbraw/zinc/68/32/59/922683259.db2.gz ZANLEHYUWBRTTL-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323776 922683868 /nfs/dbraw/zinc/68/38/68/922683868.db2.gz HYPCFKLYPOSMJZ-ZYHUDNBSSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323776 922683878 /nfs/dbraw/zinc/68/38/78/922683878.db2.gz HYPCFKLYPOSMJZ-ZYHUDNBSSA-N 1 1 311.338 -1.183 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001382328632 922687169 /nfs/dbraw/zinc/68/71/69/922687169.db2.gz RXIORLGMNXWHCW-NSHDSACASA-N 1 1 306.326 -1.178 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382370773 922700075 /nfs/dbraw/zinc/70/00/75/922700075.db2.gz SPMAKELTSTYOQL-MNOVXSKESA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382369677 922700185 /nfs/dbraw/zinc/70/01/85/922700185.db2.gz IHDSIELJFCETEK-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001382371483 922700365 /nfs/dbraw/zinc/70/03/65/922700365.db2.gz QNUKGHQCBQCXHP-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382369427 922700674 /nfs/dbraw/zinc/70/06/74/922700674.db2.gz AIDLHLBYDSVQEA-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001382373522 922702007 /nfs/dbraw/zinc/70/20/07/922702007.db2.gz AMXXEYPXSBEXSK-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001382373522 922702033 /nfs/dbraw/zinc/70/20/33/922702033.db2.gz AMXXEYPXSBEXSK-STQMWFEESA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382369425 922702188 /nfs/dbraw/zinc/70/21/88/922702188.db2.gz AIDLHLBYDSVQEA-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382369678 922702648 /nfs/dbraw/zinc/70/26/48/922702648.db2.gz IHDSIELJFCETEK-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCNC2=O)n[nH]1 ZINC001382385259 922709627 /nfs/dbraw/zinc/70/96/27/922709627.db2.gz HAVNIUJUJRFYCT-QWRGUYRKSA-N 1 1 309.370 -1.117 20 0 DAADMO Cc1cc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001382387918 922711194 /nfs/dbraw/zinc/71/11/94/922711194.db2.gz QOZUWUMPDHWPIS-NSHDSACASA-N 1 1 323.357 -1.342 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382385010 922711706 /nfs/dbraw/zinc/71/17/06/922711706.db2.gz GTISNVZWMRWLRQ-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C[C@@H](O)C[NH2+]C[C@H](O)Cn1cccn1)C(=O)c1ccn[nH]1 ZINC001382389112 922712741 /nfs/dbraw/zinc/71/27/41/922712741.db2.gz NWVOSEPKIYLQDY-RYUDHWBXSA-N 1 1 322.369 -1.310 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001382388436 922713006 /nfs/dbraw/zinc/71/30/06/922713006.db2.gz MTKRMMCXICPIIU-LLVKDONJSA-N 1 1 312.374 -1.798 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc(C)[nH]1 ZINC001382388218 922713491 /nfs/dbraw/zinc/71/34/91/922713491.db2.gz LVVRZWCPVYLGOI-WDEREUQCSA-N 1 1 300.359 -1.252 20 0 DAADMO CN(C[C@H](O)C[NH2+]C[C@@H](O)Cn1cccn1)C(=O)c1ccn[nH]1 ZINC001382389116 922714867 /nfs/dbraw/zinc/71/48/67/922714867.db2.gz NWVOSEPKIYLQDY-VXGBXAGGSA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1=COCCO1 ZINC001382393483 922715760 /nfs/dbraw/zinc/71/57/60/922715760.db2.gz NBNINCJMFFIIIG-LLVKDONJSA-N 1 1 311.342 -1.388 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1COC(=O)N1 ZINC001382392697 922716211 /nfs/dbraw/zinc/71/62/11/922716211.db2.gz MIANEZPWGAGEQB-UWVGGRQHSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1COC(=O)N1 ZINC001382395103 922716294 /nfs/dbraw/zinc/71/62/94/922716294.db2.gz UDISEPGVPSTEIT-JGVFFNPUSA-N 1 1 313.318 -2.773 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)n1 ZINC001382396155 922717037 /nfs/dbraw/zinc/71/70/37/922717037.db2.gz YVOWKHYSWDPVSU-WDEREUQCSA-N 1 1 323.353 -1.198 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)nc1 ZINC001382395382 922717352 /nfs/dbraw/zinc/71/73/52/922717352.db2.gz VSHXGOQQSWJFBU-QWRGUYRKSA-N 1 1 324.385 -1.249 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382421127 922737483 /nfs/dbraw/zinc/73/74/83/922737483.db2.gz SULXLAZKDLXFGC-NDBYEHHHSA-N 1 1 309.370 -1.384 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001382418239 922739012 /nfs/dbraw/zinc/73/90/12/922739012.db2.gz HTPIWTKFOSEVLN-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@]1(F)CCOC1 ZINC001382419342 922739164 /nfs/dbraw/zinc/73/91/64/922739164.db2.gz PCWOQPXCXWGRHH-DGCLKSJQSA-N 1 1 315.349 -1.147 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)nc1 ZINC001382424143 922740193 /nfs/dbraw/zinc/74/01/93/922740193.db2.gz JYHIGNOMLLAKLR-TUAOUCFPSA-N 1 1 321.381 -1.185 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001382422848 922742164 /nfs/dbraw/zinc/74/21/64/922742164.db2.gz XVNDHYPCLXWUJZ-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn[nH]c(=O)c1 ZINC001382422527 922742687 /nfs/dbraw/zinc/74/26/87/922742687.db2.gz ZFCHLFXLZKZPEJ-NSHDSACASA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnc[nH]1 ZINC001382427588 922744452 /nfs/dbraw/zinc/74/44/52/922744452.db2.gz VLZNQIOMOUFLGI-SNVBAGLBSA-N 1 1 308.346 -1.915 20 0 DAADMO Cc1cnoc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382428442 922744714 /nfs/dbraw/zinc/74/47/14/922744714.db2.gz TXJGACXSSPPEAQ-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CCc1cnn(C)n1 ZINC001382429382 922744786 /nfs/dbraw/zinc/74/47/86/922744786.db2.gz TUOIJOYFOBPHRD-LBPRGKRZSA-N 1 1 323.357 -1.260 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccnnc1 ZINC001382427547 922745123 /nfs/dbraw/zinc/74/51/23/922745123.db2.gz VDHIDNWQQUEGRE-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CCc1cnn(C)n1 ZINC001382429337 922745736 /nfs/dbraw/zinc/74/57/36/922745736.db2.gz TUOIJOYFOBPHRD-GFCCVEGCSA-N 1 1 323.357 -1.260 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@H]1CCC(=O)N1 ZINC001382432210 922747248 /nfs/dbraw/zinc/74/72/48/922747248.db2.gz RIYIZDAECMZALU-PWSUYJOCSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001382432209 922748451 /nfs/dbraw/zinc/74/84/51/922748451.db2.gz RIYIZDAECMZALU-JQWIXIFHSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001382429597 922749356 /nfs/dbraw/zinc/74/93/56/922749356.db2.gz YCGOIWKVKROHCC-SNVBAGLBSA-N 1 1 309.330 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CC1 ZINC001382436890 922750939 /nfs/dbraw/zinc/75/09/39/922750939.db2.gz CTWTXCFGBJOVGW-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CC1 ZINC001382436890 922750950 /nfs/dbraw/zinc/75/09/50/922750950.db2.gz CTWTXCFGBJOVGW-NSHDSACASA-N 1 1 314.386 -1.007 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2cn[nH]c2)C1 ZINC001382438632 922751305 /nfs/dbraw/zinc/75/13/05/922751305.db2.gz KJBXHNPSBCHINX-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCCO1 ZINC001382437858 922752287 /nfs/dbraw/zinc/75/22/87/922752287.db2.gz HFLVYVXRDRNFIG-UWVGGRQHSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCCO1 ZINC001382437858 922752297 /nfs/dbraw/zinc/75/22/97/922752297.db2.gz HFLVYVXRDRNFIG-UWVGGRQHSA-N 1 1 316.358 -1.889 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001382443706 922754662 /nfs/dbraw/zinc/75/46/62/922754662.db2.gz DOGHVPHVRUPTPP-GFCCVEGCSA-N 1 1 311.386 -1.311 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001382443706 922754670 /nfs/dbraw/zinc/75/46/70/922754670.db2.gz DOGHVPHVRUPTPP-GFCCVEGCSA-N 1 1 311.386 -1.311 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1ccnc1 ZINC001382441289 922755503 /nfs/dbraw/zinc/75/55/03/922755503.db2.gz VAEGQOZVABLMLX-NSHDSACASA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H](O)C(C)C ZINC001382444878 922758079 /nfs/dbraw/zinc/75/80/79/922758079.db2.gz XZLCHITYJWRGJN-DGCLKSJQSA-N 1 1 312.370 -1.198 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001382444842 922758106 /nfs/dbraw/zinc/75/81/06/922758106.db2.gz XSZWPAYTXOMXME-ONGXEEELSA-N 1 1 323.353 -1.659 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382445681 922758138 /nfs/dbraw/zinc/75/81/38/922758138.db2.gz JZHSQHDNJVRCFA-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382445681 922758147 /nfs/dbraw/zinc/75/81/47/922758147.db2.gz JZHSQHDNJVRCFA-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001382444841 922759026 /nfs/dbraw/zinc/75/90/26/922759026.db2.gz XSZWPAYTXOMXME-MWLCHTKSSA-N 1 1 323.353 -1.659 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382445154 922759511 /nfs/dbraw/zinc/75/95/11/922759511.db2.gz HQHGGOBDSHSJMP-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382445154 922759524 /nfs/dbraw/zinc/75/95/24/922759524.db2.gz HQHGGOBDSHSJMP-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382445151 922759789 /nfs/dbraw/zinc/75/97/89/922759789.db2.gz HQHGGOBDSHSJMP-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382445151 922759801 /nfs/dbraw/zinc/75/98/01/922759801.db2.gz HQHGGOBDSHSJMP-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001382444727 922760044 /nfs/dbraw/zinc/76/00/44/922760044.db2.gz VVIUGIDVLJNNAX-QWRGUYRKSA-N 1 1 315.370 -1.110 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001382450008 922762826 /nfs/dbraw/zinc/76/28/26/922762826.db2.gz CDWJWIKVEGGFIV-VHSXEESVSA-N 1 1 314.386 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001382450008 922762839 /nfs/dbraw/zinc/76/28/39/922762839.db2.gz CDWJWIKVEGGFIV-VHSXEESVSA-N 1 1 314.386 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001382450004 922763547 /nfs/dbraw/zinc/76/35/47/922763547.db2.gz CDWJWIKVEGGFIV-UWVGGRQHSA-N 1 1 314.386 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001382450004 922763559 /nfs/dbraw/zinc/76/35/59/922763559.db2.gz CDWJWIKVEGGFIV-UWVGGRQHSA-N 1 1 314.386 -1.022 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001382453328 922763821 /nfs/dbraw/zinc/76/38/21/922763821.db2.gz FBTSIQXQZBYWSP-HUBLWGQQSA-N 1 1 322.365 -1.179 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001382450705 922763923 /nfs/dbraw/zinc/76/39/23/922763923.db2.gz NRGWNELFOJQNHN-BDAKNGLRSA-N 1 1 320.415 -1.316 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001382450705 922763936 /nfs/dbraw/zinc/76/39/36/922763936.db2.gz NRGWNELFOJQNHN-BDAKNGLRSA-N 1 1 320.415 -1.316 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)nnn1C ZINC001382448129 922764087 /nfs/dbraw/zinc/76/40/87/922764087.db2.gz AIYKIFKWAIKWCI-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001382459111 922766270 /nfs/dbraw/zinc/76/62/70/922766270.db2.gz FZUOZSQBMOXJRK-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001382459111 922766286 /nfs/dbraw/zinc/76/62/86/922766286.db2.gz FZUOZSQBMOXJRK-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c1cnn(C)c1 ZINC001382458130 922767084 /nfs/dbraw/zinc/76/70/84/922767084.db2.gz GKLUGPDODFPDGN-CHWSQXEVSA-N 1 1 314.386 -1.149 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c1cnn(C)c1 ZINC001382458149 922767120 /nfs/dbraw/zinc/76/71/20/922767120.db2.gz GKLUGPDODFPDGN-STQMWFEESA-N 1 1 314.386 -1.149 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001382462975 922768868 /nfs/dbraw/zinc/76/88/68/922768868.db2.gz WZPSCCLDCUUPDA-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001382462975 922768878 /nfs/dbraw/zinc/76/88/78/922768878.db2.gz WZPSCCLDCUUPDA-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nccn2C1 ZINC001382464555 922769912 /nfs/dbraw/zinc/76/99/12/922769912.db2.gz BNPYIYRYFQSOMX-NWDGAFQWSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nccn2C1 ZINC001382464555 922769922 /nfs/dbraw/zinc/76/99/22/922769922.db2.gz BNPYIYRYFQSOMX-NWDGAFQWSA-N 1 1 323.397 -1.318 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382466770 922770013 /nfs/dbraw/zinc/77/00/13/922770013.db2.gz ICJOKRKMBBFWFJ-LBELIVKGSA-N 1 1 313.398 -1.106 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001382466462 922770050 /nfs/dbraw/zinc/77/00/50/922770050.db2.gz XXORDARFCXDFGW-LBPRGKRZSA-N 1 1 311.386 -1.493 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001382466462 922770055 /nfs/dbraw/zinc/77/00/55/922770055.db2.gz XXORDARFCXDFGW-LBPRGKRZSA-N 1 1 311.386 -1.493 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ncnc2[nH]ccc21 ZINC001382464573 922770136 /nfs/dbraw/zinc/77/01/36/922770136.db2.gz BSPBCPJDLXMHER-SECBINFHSA-N 1 1 320.353 -1.241 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ncnc2[nH]ccc21 ZINC001382464573 922770143 /nfs/dbraw/zinc/77/01/43/922770143.db2.gz BSPBCPJDLXMHER-SECBINFHSA-N 1 1 320.353 -1.241 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001382463659 922770512 /nfs/dbraw/zinc/77/05/12/922770512.db2.gz QNFVWNMHASYOTC-PWSUYJOCSA-N 1 1 322.369 -1.130 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001382462155 922770611 /nfs/dbraw/zinc/77/06/11/922770611.db2.gz MEPHEYJHYGZPSB-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001382462155 922770618 /nfs/dbraw/zinc/77/06/18/922770618.db2.gz MEPHEYJHYGZPSB-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001382463652 922770828 /nfs/dbraw/zinc/77/08/28/922770828.db2.gz QNFVWNMHASYOTC-CMPLNLGQSA-N 1 1 322.369 -1.130 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001382462673 922771001 /nfs/dbraw/zinc/77/10/01/922771001.db2.gz FQKTWPHQPJJAFY-WOPDTQHZSA-N 1 1 301.387 -1.369 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001382470242 922772565 /nfs/dbraw/zinc/77/25/65/922772565.db2.gz URAOQKDIBWSIQY-ZJUUUORDSA-N 1 1 312.370 -1.141 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001382472416 922772714 /nfs/dbraw/zinc/77/27/14/922772714.db2.gz KIFGQABNQLOFHZ-QWHCGFSZSA-N 1 1 315.414 -1.012 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001382472603 922772945 /nfs/dbraw/zinc/77/29/45/922772945.db2.gz JIGCXCILCQFTRS-LLVKDONJSA-N 1 1 324.385 -1.290 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001382472603 922772948 /nfs/dbraw/zinc/77/29/48/922772948.db2.gz JIGCXCILCQFTRS-LLVKDONJSA-N 1 1 324.385 -1.290 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001382469313 922773879 /nfs/dbraw/zinc/77/38/79/922773879.db2.gz AGTYLVZQRFBVFN-NXEZZACHSA-N 1 1 300.363 -1.390 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001382470234 922773939 /nfs/dbraw/zinc/77/39/39/922773939.db2.gz URAOQKDIBWSIQY-NXEZZACHSA-N 1 1 312.370 -1.141 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001382472940 922774503 /nfs/dbraw/zinc/77/45/03/922774503.db2.gz UAFNEBITXWMFKR-VXGBXAGGSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001382472940 922774515 /nfs/dbraw/zinc/77/45/15/922774515.db2.gz UAFNEBITXWMFKR-VXGBXAGGSA-N 1 1 311.386 -1.184 20 0 DAADMO CN(C)C(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382476643 922777037 /nfs/dbraw/zinc/77/70/37/922777037.db2.gz BYLBKSVGRLFIML-CHWSQXEVSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001382474386 922777254 /nfs/dbraw/zinc/77/72/54/922777254.db2.gz ACCOOTDFEBIHTC-QWRGUYRKSA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382477142 922778884 /nfs/dbraw/zinc/77/88/84/922778884.db2.gz XOWCEXDOXVODHE-LLVKDONJSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382477142 922778899 /nfs/dbraw/zinc/77/88/99/922778899.db2.gz XOWCEXDOXVODHE-LLVKDONJSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001382479116 922779973 /nfs/dbraw/zinc/77/99/73/922779973.db2.gz VMNNAWAWQVQNHL-SNVBAGLBSA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001382479116 922779986 /nfs/dbraw/zinc/77/99/86/922779986.db2.gz VMNNAWAWQVQNHL-SNVBAGLBSA-N 1 1 321.341 -2.026 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479409 922781517 /nfs/dbraw/zinc/78/15/17/922781517.db2.gz UWJLSTCXFZZJAZ-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc[nH]c2)C1 ZINC001382479409 922781528 /nfs/dbraw/zinc/78/15/28/922781528.db2.gz UWJLSTCXFZZJAZ-OLZOCXBDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001382480260 922781974 /nfs/dbraw/zinc/78/19/74/922781974.db2.gz NANQDBWZIIXICD-GHMZBOCLSA-N 1 1 310.416 -1.590 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001382480260 922781989 /nfs/dbraw/zinc/78/19/89/922781989.db2.gz NANQDBWZIIXICD-GHMZBOCLSA-N 1 1 310.416 -1.590 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382479773 922782034 /nfs/dbraw/zinc/78/20/34/922782034.db2.gz IXALPDSMZMRUQY-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382479773 922782050 /nfs/dbraw/zinc/78/20/50/922782050.db2.gz IXALPDSMZMRUQY-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001382482939 922782588 /nfs/dbraw/zinc/78/25/88/922782588.db2.gz VPVREXURILKIRR-GFCCVEGCSA-N 1 1 324.381 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCCC(N)=O)C1 ZINC001382495476 922787005 /nfs/dbraw/zinc/78/70/05/922787005.db2.gz KSBYOFCUXVATTL-MNOVXSKESA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1)C1CCC1 ZINC001382496873 922787969 /nfs/dbraw/zinc/78/79/69/922787969.db2.gz SFMDXTBKUOVJHN-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001382496873 922787977 /nfs/dbraw/zinc/78/79/77/922787977.db2.gz SFMDXTBKUOVJHN-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001382496873 922787987 /nfs/dbraw/zinc/78/79/87/922787987.db2.gz SFMDXTBKUOVJHN-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382510298 922789667 /nfs/dbraw/zinc/78/96/67/922789667.db2.gz USJBBHUNASPDBQ-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382507974 922789908 /nfs/dbraw/zinc/78/99/08/922789908.db2.gz DOOPEGZLWHRKQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507974 922789922 /nfs/dbraw/zinc/78/99/22/922789922.db2.gz DOOPEGZLWHRKQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507974 922789933 /nfs/dbraw/zinc/78/99/33/922789933.db2.gz DOOPEGZLWHRKQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382510300 922790848 /nfs/dbraw/zinc/79/08/48/922790848.db2.gz USJBBHUNASPDBQ-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001382507983 922791370 /nfs/dbraw/zinc/79/13/70/922791370.db2.gz DOOPEGZLWHRKQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507983 922791381 /nfs/dbraw/zinc/79/13/81/922791381.db2.gz DOOPEGZLWHRKQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001382507983 922791389 /nfs/dbraw/zinc/79/13/89/922791389.db2.gz DOOPEGZLWHRKQU-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1nccc1C(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382521526 922794427 /nfs/dbraw/zinc/79/44/27/922794427.db2.gz MCMQQSUYKQZLFH-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@@H]1CCNC1=O ZINC001382530861 922797240 /nfs/dbraw/zinc/79/72/40/922797240.db2.gz TZSVHMRATDVOPC-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@@H]1CCNC1=O ZINC001382530861 922797251 /nfs/dbraw/zinc/79/72/51/922797251.db2.gz TZSVHMRATDVOPC-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001382547072 922797736 /nfs/dbraw/zinc/79/77/36/922797736.db2.gz BBFJCLAPVSFVLL-WDEREUQCSA-N 1 1 309.370 -1.360 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCCNC1=O ZINC001382544405 922798455 /nfs/dbraw/zinc/79/84/55/922798455.db2.gz OVFUIIWENKSJBE-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCCNC1=O ZINC001382544405 922798472 /nfs/dbraw/zinc/79/84/72/922798472.db2.gz OVFUIIWENKSJBE-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1ncc[nH]1 ZINC001382547071 922798785 /nfs/dbraw/zinc/79/87/85/922798785.db2.gz BBFJCLAPVSFVLL-GHMZBOCLSA-N 1 1 309.370 -1.360 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001382545163 922800048 /nfs/dbraw/zinc/80/00/48/922800048.db2.gz RNJLHPUCTRZDDO-NSHDSACASA-N 1 1 302.375 -2.133 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001382545163 922800062 /nfs/dbraw/zinc/80/00/62/922800062.db2.gz RNJLHPUCTRZDDO-NSHDSACASA-N 1 1 302.375 -2.133 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncccn1 ZINC001382548274 922802112 /nfs/dbraw/zinc/80/21/12/922802112.db2.gz HUTHCQKYKZRVRU-WDEREUQCSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001382554023 922802970 /nfs/dbraw/zinc/80/29/70/922802970.db2.gz UCFZENMXQDUJPK-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ncccn1 ZINC001382582461 922815641 /nfs/dbraw/zinc/81/56/41/922815641.db2.gz OYGNUPHBAYPUFN-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn1cncn1)C1CCC1 ZINC001382634089 922826228 /nfs/dbraw/zinc/82/62/28/922826228.db2.gz XQFFOXKWNKYLIL-LLVKDONJSA-N 1 1 324.385 -1.644 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908338 922846501 /nfs/dbraw/zinc/84/65/01/922846501.db2.gz RBNZHTCDVAVXER-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(C)(F)F ZINC001382908338 922846516 /nfs/dbraw/zinc/84/65/16/922846516.db2.gz RBNZHTCDVAVXER-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1ccnc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001382952788 922854280 /nfs/dbraw/zinc/85/42/80/922854280.db2.gz LMEPRPNRGJVIRU-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ncc[nH]1 ZINC001382989978 922861551 /nfs/dbraw/zinc/86/15/51/922861551.db2.gz VIEOXBFDJOKNNN-QWRGUYRKSA-N 1 1 309.370 -1.090 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)c1nnn(C)n1 ZINC001382991107 922863088 /nfs/dbraw/zinc/86/30/88/922863088.db2.gz DGCJXCIAPKMMMY-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)c1cn[nH]n1 ZINC001383026517 922871272 /nfs/dbraw/zinc/87/12/72/922871272.db2.gz XHXAOLWJVCGWLM-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001383035812 922872148 /nfs/dbraw/zinc/87/21/48/922872148.db2.gz ZELPVGCMFLIXGP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001383035812 922872156 /nfs/dbraw/zinc/87/21/56/922872156.db2.gz ZELPVGCMFLIXGP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001383035812 922872172 /nfs/dbraw/zinc/87/21/72/922872172.db2.gz ZELPVGCMFLIXGP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001383035812 922872179 /nfs/dbraw/zinc/87/21/79/922872179.db2.gz ZELPVGCMFLIXGP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001383035812 922872205 /nfs/dbraw/zinc/87/22/05/922872205.db2.gz ZELPVGCMFLIXGP-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1nc[nH]n1 ZINC001383138493 922889511 /nfs/dbraw/zinc/88/95/11/922889511.db2.gz MXCILBXULCVHBR-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)c1nc[nH]n1 ZINC001383138493 922889518 /nfs/dbraw/zinc/88/95/18/922889518.db2.gz MXCILBXULCVHBR-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001383150702 922892271 /nfs/dbraw/zinc/89/22/71/922892271.db2.gz VLTFXVGUHMJBGP-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001383172092 922896120 /nfs/dbraw/zinc/89/61/20/922896120.db2.gz OQYHFABUWJNXNH-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001383172092 922896137 /nfs/dbraw/zinc/89/61/37/922896137.db2.gz OQYHFABUWJNXNH-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683576 922915105 /nfs/dbraw/zinc/91/51/05/922915105.db2.gz LQSIEOYEOZODQN-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683576 922915117 /nfs/dbraw/zinc/91/51/17/922915117.db2.gz LQSIEOYEOZODQN-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683578 922916414 /nfs/dbraw/zinc/91/64/14/922916414.db2.gz LQSIEOYEOZODQN-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001383683578 922916422 /nfs/dbraw/zinc/91/64/22/922916422.db2.gz LQSIEOYEOZODQN-JQWIXIFHSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383729078 922918571 /nfs/dbraw/zinc/91/85/71/922918571.db2.gz DQTRISLMUBTOOM-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001383784889 922921916 /nfs/dbraw/zinc/92/19/16/922921916.db2.gz GHWFUQTYPULETR-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C2CCOCC2)C1 ZINC001383856521 922931808 /nfs/dbraw/zinc/93/18/08/922931808.db2.gz VPZZFVKLELEWQD-OLZOCXBDSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853747 922932467 /nfs/dbraw/zinc/93/24/67/922932467.db2.gz LJICJUMHFJLUCE-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853747 922932476 /nfs/dbraw/zinc/93/24/76/922932476.db2.gz LJICJUMHFJLUCE-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C2CCOCC2)C1 ZINC001383856523 922932996 /nfs/dbraw/zinc/93/29/96/922932996.db2.gz VPZZFVKLELEWQD-QWHCGFSZSA-N 1 1 313.398 -1.042 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383872850 922942865 /nfs/dbraw/zinc/94/28/65/922942865.db2.gz IQTULAQGFSQLJX-NEPJUHHUSA-N 1 1 314.386 -1.990 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889845 922956514 /nfs/dbraw/zinc/95/65/14/922956514.db2.gz PDGYAXFIQBXUMC-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383889845 922956526 /nfs/dbraw/zinc/95/65/26/922956526.db2.gz PDGYAXFIQBXUMC-QWRGUYRKSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887766 922957000 /nfs/dbraw/zinc/95/70/00/922957000.db2.gz HIJCEVBGNWSBOE-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887766 922957008 /nfs/dbraw/zinc/95/70/08/922957008.db2.gz HIJCEVBGNWSBOE-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1ccnc1 ZINC001383890698 922960327 /nfs/dbraw/zinc/96/03/27/922960327.db2.gz HWXXQYHFTKMFJP-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001383890770 922960542 /nfs/dbraw/zinc/96/05/42/922960542.db2.gz IJKTXBZQZANXLL-QWRGUYRKSA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccnnc1 ZINC001383895936 922962280 /nfs/dbraw/zinc/96/22/80/922962280.db2.gz RUHUHFMCRDMWLO-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cncnc1 ZINC001383897959 922963540 /nfs/dbraw/zinc/96/35/40/922963540.db2.gz GDEBJJDIBMZBEV-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001383914079 922974039 /nfs/dbraw/zinc/97/40/39/922974039.db2.gz WRXXATCMZMQBTI-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001383925453 922980985 /nfs/dbraw/zinc/98/09/85/922980985.db2.gz KKPFFWOSBWECDD-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383929921 922982600 /nfs/dbraw/zinc/98/26/00/922982600.db2.gz VGLNCGFJDGPEBZ-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1ncnn1 ZINC001383933453 922983017 /nfs/dbraw/zinc/98/30/17/922983017.db2.gz VWHUWUTXAAULMP-JTQLQIEISA-N 1 1 313.362 -2.393 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001383938572 922984502 /nfs/dbraw/zinc/98/45/02/922984502.db2.gz FYHVSVOBZPSIIO-SNVBAGLBSA-N 1 1 324.385 -1.196 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001383955128 922990235 /nfs/dbraw/zinc/99/02/35/922990235.db2.gz RLTXYKFWNRQHCK-GFCCVEGCSA-N 1 1 311.386 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001383955526 922991514 /nfs/dbraw/zinc/99/15/14/922991514.db2.gz GSSVSTDRZLTJQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955526 922991523 /nfs/dbraw/zinc/99/15/23/922991523.db2.gz GSSVSTDRZLTJQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955526 922991531 /nfs/dbraw/zinc/99/15/31/922991531.db2.gz GSSVSTDRZLTJQU-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)CC1 ZINC001383959601 922993208 /nfs/dbraw/zinc/99/32/08/922993208.db2.gz DWPWZMKIXVDDTB-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CNC(N)=O ZINC001383964362 922995843 /nfs/dbraw/zinc/99/58/43/922995843.db2.gz PNHGZXPOTDPCBO-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cn(C)nn1 ZINC001383969277 922998424 /nfs/dbraw/zinc/99/84/24/922998424.db2.gz NTIZQOMHRKIZDE-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001383970946 923000078 /nfs/dbraw/zinc/00/00/78/923000078.db2.gz AZKIHDFJVZOWBE-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cccnn1 ZINC001383978671 923003529 /nfs/dbraw/zinc/00/35/29/923003529.db2.gz DOYLVPDMTGUCHT-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001383982712 923007161 /nfs/dbraw/zinc/00/71/61/923007161.db2.gz UXXPBTMAQREWNS-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384008101 923022924 /nfs/dbraw/zinc/02/29/24/923022924.db2.gz HGBUVKBABXFLRB-ZJUUUORDSA-N 1 1 324.341 -2.534 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)CC1 ZINC001384011703 923025232 /nfs/dbraw/zinc/02/52/32/923025232.db2.gz NCKUCYIGBUQUIX-SNVBAGLBSA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384014476 923028009 /nfs/dbraw/zinc/02/80/09/923028009.db2.gz RGKTXXGFLXXMHJ-ZJUUUORDSA-N 1 1 315.374 -2.399 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)n1 ZINC001384021741 923029430 /nfs/dbraw/zinc/02/94/30/923029430.db2.gz MTSCRXCUPPRPJH-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001384024216 923030514 /nfs/dbraw/zinc/03/05/14/923030514.db2.gz SFNSPGAAKURVHQ-CHWSQXEVSA-N 1 1 323.397 -1.089 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001384032853 923034100 /nfs/dbraw/zinc/03/41/00/923034100.db2.gz XQLIDGIOSJRRHR-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001384032864 923034421 /nfs/dbraw/zinc/03/44/21/923034421.db2.gz XQLIDGIOSJRRHR-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384176171 923048208 /nfs/dbraw/zinc/04/82/08/923048208.db2.gz IAENRKQGGDERAM-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)C[NH+]1CCCC1 ZINC001384227777 923066476 /nfs/dbraw/zinc/06/64/76/923066476.db2.gz WIOQOBISIVVLQM-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224397 923066609 /nfs/dbraw/zinc/06/66/09/923066609.db2.gz KLWAIGFZWSKWDY-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001384224397 923066623 /nfs/dbraw/zinc/06/66/23/923066623.db2.gz KLWAIGFZWSKWDY-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001384224397 923066638 /nfs/dbraw/zinc/06/66/38/923066638.db2.gz KLWAIGFZWSKWDY-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001384232424 923068718 /nfs/dbraw/zinc/06/87/18/923068718.db2.gz FZMCUAZSLBOPGS-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001384232424 923068730 /nfs/dbraw/zinc/06/87/30/923068730.db2.gz FZMCUAZSLBOPGS-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001384232424 923068743 /nfs/dbraw/zinc/06/87/43/923068743.db2.gz FZMCUAZSLBOPGS-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001384234126 923069497 /nfs/dbraw/zinc/06/94/97/923069497.db2.gz HHWLNDIULIUYPC-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239990 923071631 /nfs/dbraw/zinc/07/16/31/923071631.db2.gz LPFSUBDRZPNSHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001384239990 923071648 /nfs/dbraw/zinc/07/16/48/923071648.db2.gz LPFSUBDRZPNSHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239990 923071663 /nfs/dbraw/zinc/07/16/63/923071663.db2.gz LPFSUBDRZPNSHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001384239990 923071679 /nfs/dbraw/zinc/07/16/79/923071679.db2.gz LPFSUBDRZPNSHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239990 923071693 /nfs/dbraw/zinc/07/16/93/923071693.db2.gz LPFSUBDRZPNSHL-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239994 923072146 /nfs/dbraw/zinc/07/21/46/923072146.db2.gz LPFSUBDRZPNSHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001384239994 923072162 /nfs/dbraw/zinc/07/21/62/923072162.db2.gz LPFSUBDRZPNSHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239994 923072178 /nfs/dbraw/zinc/07/21/78/923072178.db2.gz LPFSUBDRZPNSHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001384239994 923072194 /nfs/dbraw/zinc/07/21/94/923072194.db2.gz LPFSUBDRZPNSHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001384239994 923072210 /nfs/dbraw/zinc/07/22/10/923072210.db2.gz LPFSUBDRZPNSHL-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001384266656 923082712 /nfs/dbraw/zinc/08/27/12/923082712.db2.gz ZRKKUWNZFPMRPR-ZJUUUORDSA-N 1 1 310.358 -2.013 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001384711416 923097904 /nfs/dbraw/zinc/09/79/04/923097904.db2.gz WCNUDAXYJLIKFB-IJLUTSLNSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001384710923 923099073 /nfs/dbraw/zinc/09/90/73/923099073.db2.gz MAHXLTZWEDJOIC-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001384721038 923100402 /nfs/dbraw/zinc/10/04/02/923100402.db2.gz MVRVQKQJHSXZRJ-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)C1 ZINC001384722768 923103431 /nfs/dbraw/zinc/10/34/31/923103431.db2.gz SYAHKGDDUTYRBJ-IVZWLZJFSA-N 1 1 313.358 -2.706 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O)C1CCC1 ZINC001384729210 923105404 /nfs/dbraw/zinc/10/54/04/923105404.db2.gz ARCBGCCTIWPCSB-GHMZBOCLSA-N 1 1 322.369 -1.410 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001384731981 923105439 /nfs/dbraw/zinc/10/54/39/923105439.db2.gz LFJSYTRCUREPGU-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001384727706 923106908 /nfs/dbraw/zinc/10/69/08/923106908.db2.gz LGORCHBHQIUUNJ-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001384738230 923108618 /nfs/dbraw/zinc/10/86/18/923108618.db2.gz LWHUILSTQPEWIL-NXEZZACHSA-N 1 1 310.358 -2.013 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001385185334 923153374 /nfs/dbraw/zinc/15/33/74/923153374.db2.gz NXOWIMZQGODQOR-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001385315664 923165454 /nfs/dbraw/zinc/16/54/54/923165454.db2.gz FNKUSHBOYZPWHV-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001385346995 923167896 /nfs/dbraw/zinc/16/78/96/923167896.db2.gz AUFRNZPCBVSNPU-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001385654677 923192106 /nfs/dbraw/zinc/19/21/06/923192106.db2.gz HCDBESIZFBYRRY-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001385643174 923192177 /nfs/dbraw/zinc/19/21/77/923192177.db2.gz RIGYPLVJPPNEBU-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001385850545 923209997 /nfs/dbraw/zinc/20/99/97/923209997.db2.gz VPVMIBZEXVPYII-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001385886011 923212251 /nfs/dbraw/zinc/21/22/51/923212251.db2.gz JCOIQXWXUHYBNB-MNOVXSKESA-N 1 1 321.385 -1.071 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001385875787 923212529 /nfs/dbraw/zinc/21/25/29/923212529.db2.gz JDRYFDXGTHPODO-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001385886012 923213297 /nfs/dbraw/zinc/21/32/97/923213297.db2.gz JCOIQXWXUHYBNB-QWRGUYRKSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385926046 923215433 /nfs/dbraw/zinc/21/54/33/923215433.db2.gz XZVQZVVMUSNOAU-XWLWVQCSSA-N 1 1 311.386 -1.099 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001385941592 923216688 /nfs/dbraw/zinc/21/66/88/923216688.db2.gz AVZXOFONIZGOBX-XYPYZODXSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001386002741 923219389 /nfs/dbraw/zinc/21/93/89/923219389.db2.gz IRPUGYQIQLDNJO-GARJFASQSA-N 1 1 323.397 -1.098 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001386006069 923220158 /nfs/dbraw/zinc/22/01/58/923220158.db2.gz AVZXOFONIZGOBX-PHIMTYICSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001385994013 923221501 /nfs/dbraw/zinc/22/15/01/923221501.db2.gz QZGVCYRDWLYZFN-OUAUKWLOSA-N 1 1 317.411 -1.111 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386074481 923226164 /nfs/dbraw/zinc/22/61/64/923226164.db2.gz FOGAHRLYXMYTRV-BNDIWNMDSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386074481 923226177 /nfs/dbraw/zinc/22/61/77/923226177.db2.gz FOGAHRLYXMYTRV-BNDIWNMDSA-N 1 1 311.382 -1.075 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC001386104610 923228476 /nfs/dbraw/zinc/22/84/76/923228476.db2.gz NJUMIUURAKBELW-XZUYRWCXSA-N 1 1 323.397 -1.419 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001386163691 923236179 /nfs/dbraw/zinc/23/61/79/923236179.db2.gz YWNNXVAKAGZDFO-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001386279223 923252538 /nfs/dbraw/zinc/25/25/38/923252538.db2.gz VMIXZWXIOLHRHJ-NXEZZACHSA-N 1 1 305.400 -1.396 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001386309179 923254577 /nfs/dbraw/zinc/25/45/77/923254577.db2.gz YFWGMJMDAJBPSV-VIFPVBQESA-N 1 1 310.358 -1.259 20 0 DAADMO C[C@@H](CNC(=O)CCCC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386341770 923257112 /nfs/dbraw/zinc/25/71/12/923257112.db2.gz WKSFQSUUVVDBHR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)CCCC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386341770 923257127 /nfs/dbraw/zinc/25/71/27/923257127.db2.gz WKSFQSUUVVDBHR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)Cc1nc[nH]n1 ZINC001386383544 923262796 /nfs/dbraw/zinc/26/27/96/923262796.db2.gz TXUQCQCVIIZXIN-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386502139 923275664 /nfs/dbraw/zinc/27/56/64/923275664.db2.gz QYTVNAWYUQJCRV-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386501463 923276490 /nfs/dbraw/zinc/27/64/90/923276490.db2.gz NLNYQXQIVNBNHT-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386501463 923276506 /nfs/dbraw/zinc/27/65/06/923276506.db2.gz NLNYQXQIVNBNHT-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001386594319 923287444 /nfs/dbraw/zinc/28/74/44/923287444.db2.gz GFCKJHFWCXJVOH-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386643682 923288840 /nfs/dbraw/zinc/28/88/40/923288840.db2.gz WUCSAFQTZPGQLI-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001386644149 923288905 /nfs/dbraw/zinc/28/89/05/923288905.db2.gz CPYHZWLRODJYAU-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001386658510 923292955 /nfs/dbraw/zinc/29/29/55/923292955.db2.gz AZBMPCKOTQAKLR-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001386658510 923292969 /nfs/dbraw/zinc/29/29/69/923292969.db2.gz AZBMPCKOTQAKLR-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CNC(=O)c1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386681213 923293786 /nfs/dbraw/zinc/29/37/86/923293786.db2.gz HBRFRPVHYAMRCO-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386681213 923293799 /nfs/dbraw/zinc/29/37/99/923293799.db2.gz HBRFRPVHYAMRCO-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386754300 923303972 /nfs/dbraw/zinc/30/39/72/923303972.db2.gz BGOXMQNIHGPFOR-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386754300 923303982 /nfs/dbraw/zinc/30/39/82/923303982.db2.gz BGOXMQNIHGPFOR-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828717 923315238 /nfs/dbraw/zinc/31/52/38/923315238.db2.gz VMZLKXGCQQGOQO-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828717 923315252 /nfs/dbraw/zinc/31/52/52/923315252.db2.gz VMZLKXGCQQGOQO-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386839048 923316139 /nfs/dbraw/zinc/31/61/39/923316139.db2.gz FPYIWOFFEYENSY-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386839048 923316154 /nfs/dbraw/zinc/31/61/54/923316154.db2.gz FPYIWOFFEYENSY-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001386839462 923316538 /nfs/dbraw/zinc/31/65/38/923316538.db2.gz JGSDONBGINGYBB-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001386839462 923316558 /nfs/dbraw/zinc/31/65/58/923316558.db2.gz JGSDONBGINGYBB-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cnnn2C)C1 ZINC001386864445 923320300 /nfs/dbraw/zinc/32/03/00/923320300.db2.gz CDDHHCFHLBOKCO-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cnnn2C)C1 ZINC001386864445 923320321 /nfs/dbraw/zinc/32/03/21/923320321.db2.gz CDDHHCFHLBOKCO-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386865436 923321933 /nfs/dbraw/zinc/32/19/33/923321933.db2.gz IYHBTYQNHQWHNW-UWVGGRQHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386865436 923321945 /nfs/dbraw/zinc/32/19/45/923321945.db2.gz IYHBTYQNHQWHNW-UWVGGRQHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386865438 923322897 /nfs/dbraw/zinc/32/28/97/923322897.db2.gz IYHBTYQNHQWHNW-ZJUUUORDSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386865438 923322910 /nfs/dbraw/zinc/32/29/10/923322910.db2.gz IYHBTYQNHQWHNW-ZJUUUORDSA-N 1 1 314.342 -2.000 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386865283 923323758 /nfs/dbraw/zinc/32/37/58/923323758.db2.gz SGLLVAFFVFWBIL-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386865283 923323774 /nfs/dbraw/zinc/32/37/74/923323774.db2.gz SGLLVAFFVFWBIL-GXSJLCMTSA-N 1 1 323.353 -1.253 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001386892583 923325472 /nfs/dbraw/zinc/32/54/72/923325472.db2.gz QJTGQYUTOXSXRQ-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001386901365 923327719 /nfs/dbraw/zinc/32/77/19/923327719.db2.gz YGVCDQHZPRWTCO-JTQLQIEISA-N 1 1 320.357 -1.150 20 0 DAADMO CN(CCNC(=O)C1CS(=O)(=O)C1)C(=O)Cc1c[nH]cn1 ZINC001386903983 923327928 /nfs/dbraw/zinc/32/79/28/923327928.db2.gz VCMFIGHSPOQXCE-UHFFFAOYSA-N 1 1 314.367 -1.429 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001386902424 923328653 /nfs/dbraw/zinc/32/86/53/923328653.db2.gz MEMAZATUAPEDNU-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cnnn1C ZINC001386946941 923333106 /nfs/dbraw/zinc/33/31/06/923333106.db2.gz QJABZHDGSXFGFQ-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)Cn1nccn1 ZINC001386946732 923333752 /nfs/dbraw/zinc/33/37/52/923333752.db2.gz RFWKCUFBFJYRRL-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001386965598 923334837 /nfs/dbraw/zinc/33/48/37/923334837.db2.gz QOKRDRRTRHXFJC-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CCNC(=O)Cn1ccnc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386967338 923336104 /nfs/dbraw/zinc/33/61/04/923336104.db2.gz AOSQCDNLTBHETK-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)Cn1ccnc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386967338 923336118 /nfs/dbraw/zinc/33/61/18/923336118.db2.gz AOSQCDNLTBHETK-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001386981838 923336546 /nfs/dbraw/zinc/33/65/46/923336546.db2.gz GFJXDXYPBUDIBL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387025718 923344354 /nfs/dbraw/zinc/34/43/54/923344354.db2.gz VBMPQITVMNIQOX-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387025718 923344368 /nfs/dbraw/zinc/34/43/68/923344368.db2.gz VBMPQITVMNIQOX-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387040974 923349620 /nfs/dbraw/zinc/34/96/20/923349620.db2.gz HLELYBLAMXHKSB-LBELIVKGSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387040974 923349636 /nfs/dbraw/zinc/34/96/36/923349636.db2.gz HLELYBLAMXHKSB-LBELIVKGSA-N 1 1 311.382 -1.170 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001387277096 923370910 /nfs/dbraw/zinc/37/09/10/923370910.db2.gz ASXNHQTZCOOFJD-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001387330139 923373455 /nfs/dbraw/zinc/37/34/55/923373455.db2.gz SDEDEHPMOOCCFS-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCN1C(=O)CNC(N)=O ZINC001387367479 923374999 /nfs/dbraw/zinc/37/49/99/923374999.db2.gz NXDHAPGXYUDEGW-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(C(=O)CNC(N)=O)C2CC2)C1 ZINC001387487238 923380622 /nfs/dbraw/zinc/38/06/22/923380622.db2.gz WJRUHNTZUAQPKU-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001387707339 923399360 /nfs/dbraw/zinc/39/93/60/923399360.db2.gz MSZQOUPSVNHTKV-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001387707339 923399367 /nfs/dbraw/zinc/39/93/67/923399367.db2.gz MSZQOUPSVNHTKV-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001387722365 923404078 /nfs/dbraw/zinc/40/40/78/923404078.db2.gz OKSFUPVAPNKJNR-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001387722363 923404101 /nfs/dbraw/zinc/40/41/01/923404101.db2.gz OKSFUPVAPNKJNR-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cn2cccn2)C1 ZINC001387765965 923418528 /nfs/dbraw/zinc/41/85/28/923418528.db2.gz IEXIPOBDDSQMCI-UHFFFAOYSA-N 1 1 321.381 -1.068 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)C(=O)c1cn[nH]n1 ZINC001387899300 923440738 /nfs/dbraw/zinc/44/07/38/923440738.db2.gz OOOGEHIVCFVDJB-UHFFFAOYSA-N 1 1 310.358 -1.285 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001387887081 923440780 /nfs/dbraw/zinc/44/07/80/923440780.db2.gz STQSLEWZVYZDOF-JTQLQIEISA-N 1 1 313.402 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001387938721 923447420 /nfs/dbraw/zinc/44/74/20/923447420.db2.gz XKGHKUWXSPCUQC-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001387938719 923447441 /nfs/dbraw/zinc/44/74/41/923447441.db2.gz XKGHKUWXSPCUQC-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)Cn1c[nH+]cc1C ZINC001388186981 923468298 /nfs/dbraw/zinc/46/82/98/923468298.db2.gz IUIGLOIZYSBKIP-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CC[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388201143 923469620 /nfs/dbraw/zinc/46/96/20/923469620.db2.gz GZURLRHJWPCSLC-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388201143 923469634 /nfs/dbraw/zinc/46/96/34/923469634.db2.gz GZURLRHJWPCSLC-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001388308371 923472968 /nfs/dbraw/zinc/47/29/68/923472968.db2.gz YRRWDKNGCFLHSJ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)Cn1ncnn1 ZINC001388272900 923474056 /nfs/dbraw/zinc/47/40/56/923474056.db2.gz AHSHOFFWTIPFGN-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001388370650 923475606 /nfs/dbraw/zinc/47/56/06/923475606.db2.gz GATHTHGKRQELSD-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388426216 923480382 /nfs/dbraw/zinc/48/03/82/923480382.db2.gz UTECHYBSUOGDBD-VXGBXAGGSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388426216 923480395 /nfs/dbraw/zinc/48/03/95/923480395.db2.gz UTECHYBSUOGDBD-VXGBXAGGSA-N 1 1 324.385 -1.523 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)COC ZINC001388643693 923489674 /nfs/dbraw/zinc/48/96/74/923489674.db2.gz XMFQBPUFQISUCO-GHMZBOCLSA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001388640556 923489905 /nfs/dbraw/zinc/48/99/05/923489905.db2.gz TXMJJJGVYIMIND-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CS(C)(=O)=O)C2)nn1 ZINC001388669966 923491800 /nfs/dbraw/zinc/49/18/00/923491800.db2.gz GRSUSEZXLUIYKP-AOOOYVTPSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001388669056 923492851 /nfs/dbraw/zinc/49/28/51/923492851.db2.gz VAJKHLDOMYFQLW-JGZJWPJOSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388765676 923498041 /nfs/dbraw/zinc/49/80/41/923498041.db2.gz DIZPFCGENFAXKR-SCZZXKLOSA-N 1 1 323.353 -1.202 20 0 DAADMO CC(C)(O)CC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001388774422 923498167 /nfs/dbraw/zinc/49/81/67/923498167.db2.gz BEENYCZHSUWQMH-NSHDSACASA-N 1 1 301.387 -1.082 20 0 DAADMO CC(C)(O)CC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001388774422 923498169 /nfs/dbraw/zinc/49/81/69/923498169.db2.gz BEENYCZHSUWQMH-NSHDSACASA-N 1 1 301.387 -1.082 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(=O)NC)CC[N@H+]1CC(=O)N(C)C ZINC001388770405 923498531 /nfs/dbraw/zinc/49/85/31/923498531.db2.gz ILCDYLWOYSTZBR-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388764890 923498856 /nfs/dbraw/zinc/49/88/56/923498856.db2.gz OPGOBTKXRAZUNI-UWVGGRQHSA-N 1 1 323.353 -1.202 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001388773175 923499141 /nfs/dbraw/zinc/49/91/41/923499141.db2.gz GCNHTPCQEZGQND-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001388773175 923499151 /nfs/dbraw/zinc/49/91/51/923499151.db2.gz GCNHTPCQEZGQND-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@H]([N@H+](CCO)CCF)C1 ZINC001388775818 923499328 /nfs/dbraw/zinc/49/93/28/923499328.db2.gz HABVFQHTBPAARV-NSHDSACASA-N 1 1 300.338 -1.072 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@H]([N@@H+](CCO)CCF)C1 ZINC001388775818 923499341 /nfs/dbraw/zinc/49/93/41/923499341.db2.gz HABVFQHTBPAARV-NSHDSACASA-N 1 1 300.338 -1.072 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001388775643 923500353 /nfs/dbraw/zinc/50/03/53/923500353.db2.gz IMCOCZNSPOYOHL-CYBMUJFWSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775880 923500467 /nfs/dbraw/zinc/50/04/67/923500467.db2.gz RQKXQCRHUANSEB-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001388775880 923500474 /nfs/dbraw/zinc/50/04/74/923500474.db2.gz RQKXQCRHUANSEB-RYUDHWBXSA-N 1 1 322.427 -1.303 20 0 DAADMO CC(C)(O)CC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001388774421 923500787 /nfs/dbraw/zinc/50/07/87/923500787.db2.gz BEENYCZHSUWQMH-LLVKDONJSA-N 1 1 301.387 -1.082 20 0 DAADMO CC(C)(O)CC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001388774421 923500795 /nfs/dbraw/zinc/50/07/95/923500795.db2.gz BEENYCZHSUWQMH-LLVKDONJSA-N 1 1 301.387 -1.082 20 0 DAADMO CN1C[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC(N)=O)NC1=O ZINC001388833281 923502488 /nfs/dbraw/zinc/50/24/88/923502488.db2.gz CFYRIPMJZSJJIK-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(N)=O)NC1=O ZINC001388833281 923502499 /nfs/dbraw/zinc/50/24/99/923502499.db2.gz CFYRIPMJZSJJIK-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1cnc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)c1 ZINC001388848580 923504587 /nfs/dbraw/zinc/50/45/87/923504587.db2.gz UBVBWEQELBDHQJ-UHFFFAOYSA-N 1 1 309.370 -1.196 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001388798105 923504949 /nfs/dbraw/zinc/50/49/49/923504949.db2.gz UYKNGHFUXADVQA-MRTMQBJTSA-N 1 1 313.358 -1.715 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001388798105 923504957 /nfs/dbraw/zinc/50/49/57/923504957.db2.gz UYKNGHFUXADVQA-MRTMQBJTSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001388801138 923505037 /nfs/dbraw/zinc/50/50/37/923505037.db2.gz WWNBCZFDDVOBNH-ZJUUUORDSA-N 1 1 308.342 -1.343 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001388801138 923505049 /nfs/dbraw/zinc/50/50/49/923505049.db2.gz WWNBCZFDDVOBNH-ZJUUUORDSA-N 1 1 308.342 -1.343 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001388979476 923509161 /nfs/dbraw/zinc/50/91/61/923509161.db2.gz AZNWJEBTBNMQIO-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1CCC[N@H+]1C ZINC001388979479 923510060 /nfs/dbraw/zinc/51/00/60/923510060.db2.gz AZNWJEBTBNMQIO-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001389037516 923514329 /nfs/dbraw/zinc/51/43/29/923514329.db2.gz KAJLOWXHMTWOLZ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001389037516 923514344 /nfs/dbraw/zinc/51/43/44/923514344.db2.gz KAJLOWXHMTWOLZ-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001389037548 923514920 /nfs/dbraw/zinc/51/49/20/923514920.db2.gz KAJLOWXHMTWOLZ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(F)F)C1 ZINC001389037548 923514928 /nfs/dbraw/zinc/51/49/28/923514928.db2.gz KAJLOWXHMTWOLZ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059428 923521106 /nfs/dbraw/zinc/52/11/06/923521106.db2.gz MYFPUMCQMVEKCF-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnc2)C1 ZINC001389059428 923521114 /nfs/dbraw/zinc/52/11/14/923521114.db2.gz MYFPUMCQMVEKCF-QWHCGFSZSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001389074361 923533320 /nfs/dbraw/zinc/53/33/20/923533320.db2.gz GSLIOPJDEBOWHX-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001389074358 923533544 /nfs/dbraw/zinc/53/35/44/923533544.db2.gz GSLIOPJDEBOWHX-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072902 923534986 /nfs/dbraw/zinc/53/49/86/923534986.db2.gz UPJORBKHQKNXQM-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001389072902 923535006 /nfs/dbraw/zinc/53/50/06/923535006.db2.gz UPJORBKHQKNXQM-MNOVXSKESA-N 1 1 311.342 -2.053 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389077727 923537020 /nfs/dbraw/zinc/53/70/20/923537020.db2.gz UJPITERLEVTUBE-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001389077755 923537316 /nfs/dbraw/zinc/53/73/16/923537316.db2.gz UJPITERLEVTUBE-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001389081178 923538185 /nfs/dbraw/zinc/53/81/85/923538185.db2.gz SUJPGXOZZOCZLT-NWDGAFQWSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081307 923538459 /nfs/dbraw/zinc/53/84/59/923538459.db2.gz WVJDDJIILFZLCR-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001389081307 923538472 /nfs/dbraw/zinc/53/84/72/923538472.db2.gz WVJDDJIILFZLCR-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080488 923538543 /nfs/dbraw/zinc/53/85/43/923538543.db2.gz UPQOBFHKNOARBZ-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080488 923538558 /nfs/dbraw/zinc/53/85/58/923538558.db2.gz UPQOBFHKNOARBZ-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001389081186 923539332 /nfs/dbraw/zinc/53/93/32/923539332.db2.gz SUJPGXOZZOCZLT-VXGBXAGGSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001389081181 923539344 /nfs/dbraw/zinc/53/93/44/923539344.db2.gz SUJPGXOZZOCZLT-RYUDHWBXSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001389081082 923539574 /nfs/dbraw/zinc/53/95/74/923539574.db2.gz WTMQJCYUJPZIFT-MNOVXSKESA-N 1 1 323.353 -1.517 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ccnn2C)C1 ZINC001389082688 923541309 /nfs/dbraw/zinc/54/13/09/923541309.db2.gz XEOPADFQXXTIMG-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001389085328 923542103 /nfs/dbraw/zinc/54/21/03/923542103.db2.gz GGEGPQUKKAEKHE-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081951 923542131 /nfs/dbraw/zinc/54/21/31/923542131.db2.gz ZKVJVADARZRMFZ-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081951 923542133 /nfs/dbraw/zinc/54/21/33/923542133.db2.gz ZKVJVADARZRMFZ-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ccnn2C)C1 ZINC001389082694 923542324 /nfs/dbraw/zinc/54/23/24/923542324.db2.gz XEOPADFQXXTIMG-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001389091375 923546274 /nfs/dbraw/zinc/54/62/74/923546274.db2.gz MYEDIDCDDJKASJ-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001389089608 923546970 /nfs/dbraw/zinc/54/69/70/923546970.db2.gz LJTZFZXDBGIZSP-VXGBXAGGSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389091386 923547173 /nfs/dbraw/zinc/54/71/73/923547173.db2.gz MYEDIDCDDJKASJ-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001389089548 923547510 /nfs/dbraw/zinc/54/75/10/923547510.db2.gz KVOZFRQKXFRHLN-DGCLKSJQSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001389094818 923550784 /nfs/dbraw/zinc/55/07/84/923550784.db2.gz HVINOPYRWNTATP-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CC2(O)CCC2)C1 ZINC001389095608 923550829 /nfs/dbraw/zinc/55/08/29/923550829.db2.gz RPRLNWGJGLWTRX-NWDGAFQWSA-N 1 1 313.398 -1.164 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001389100721 923551735 /nfs/dbraw/zinc/55/17/35/923551735.db2.gz FXCLAVFLVYHOEJ-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001389101238 923555865 /nfs/dbraw/zinc/55/58/65/923555865.db2.gz AIHZZBRUJCQUCS-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001389112012 923561419 /nfs/dbraw/zinc/56/14/19/923561419.db2.gz PQWLAPJYYQCQHA-QWRGUYRKSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001389118896 923563584 /nfs/dbraw/zinc/56/35/84/923563584.db2.gz YVYBCSKVEKOUFW-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001389119573 923564727 /nfs/dbraw/zinc/56/47/27/923564727.db2.gz RMAXQGADEQIUHU-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389159843 923571538 /nfs/dbraw/zinc/57/15/38/923571538.db2.gz JVUWNAPEVBNOGN-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389159843 923571555 /nfs/dbraw/zinc/57/15/55/923571555.db2.gz JVUWNAPEVBNOGN-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001389179102 923576954 /nfs/dbraw/zinc/57/69/54/923576954.db2.gz UBNYAXFNBBJQOL-JTQLQIEISA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001389237127 923588335 /nfs/dbraw/zinc/58/83/35/923588335.db2.gz WGCYIKULYPJPJG-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncnc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389315660 923599475 /nfs/dbraw/zinc/59/94/75/923599475.db2.gz BWZRHSSUGBVOAA-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)Cc1cncnc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389315660 923599484 /nfs/dbraw/zinc/59/94/84/923599484.db2.gz BWZRHSSUGBVOAA-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389322567 923601104 /nfs/dbraw/zinc/60/11/04/923601104.db2.gz ZLMGHBKZKTUJTI-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)Cn1nccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389322567 923601114 /nfs/dbraw/zinc/60/11/14/923601114.db2.gz ZLMGHBKZKTUJTI-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001389382032 923608693 /nfs/dbraw/zinc/60/86/93/923608693.db2.gz PQKYEXUVXWOONH-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001389395122 923611737 /nfs/dbraw/zinc/61/17/37/923611737.db2.gz UAUJVWSZQZVJEH-VIFPVBQESA-N 1 1 309.374 -1.071 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001389388531 923612452 /nfs/dbraw/zinc/61/24/52/923612452.db2.gz VVZHPAAETBYKFA-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001389432833 923621723 /nfs/dbraw/zinc/62/17/23/923621723.db2.gz CYZZRAVWWCTEQN-UONOGXRCSA-N 1 1 323.441 -1.440 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 ZINC001389430868 923622801 /nfs/dbraw/zinc/62/28/01/923622801.db2.gz UCVWPOMIQOKYLV-CYBMUJFWSA-N 1 1 313.446 -1.064 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN1CCN(CC(=O)NC)CC1 ZINC001389427888 923622877 /nfs/dbraw/zinc/62/28/77/923622877.db2.gz LNXFIXGZLZMCLF-UHFFFAOYSA-N 1 1 313.446 -1.192 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451373 923624600 /nfs/dbraw/zinc/62/46/00/923624600.db2.gz LSXQOAADFFUMCQ-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451373 923624608 /nfs/dbraw/zinc/62/46/08/923624608.db2.gz LSXQOAADFFUMCQ-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451638 923627118 /nfs/dbraw/zinc/62/71/18/923627118.db2.gz OSKONEHZMBLKIL-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451638 923627128 /nfs/dbraw/zinc/62/71/28/923627128.db2.gz OSKONEHZMBLKIL-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001389460003 923629708 /nfs/dbraw/zinc/62/97/08/923629708.db2.gz CEYSRUHFQYSMHR-LLVKDONJSA-N 1 1 300.359 -1.924 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)CCn1cnnn1 ZINC001389477414 923631314 /nfs/dbraw/zinc/63/13/14/923631314.db2.gz AVBDXGXDNXVCGP-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001389472027 923633869 /nfs/dbraw/zinc/63/38/69/923633869.db2.gz UMVXUMUHXDPHHT-LBPRGKRZSA-N 1 1 300.403 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001389484061 923635501 /nfs/dbraw/zinc/63/55/01/923635501.db2.gz MEBAKCDZJGDCPR-VHSXEESVSA-N 1 1 324.403 -2.762 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCNS(C)(=O)=O)C2)C1 ZINC001389514150 923638645 /nfs/dbraw/zinc/63/86/45/923638645.db2.gz SIHSMDNRUOFJLI-NEPJUHHUSA-N 1 1 318.443 -1.322 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492894 923638730 /nfs/dbraw/zinc/63/87/30/923638730.db2.gz XVROWMJSOZFNTG-RKDXNWHRSA-N 1 1 321.403 -2.553 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001389492894 923638740 /nfs/dbraw/zinc/63/87/40/923638740.db2.gz XVROWMJSOZFNTG-RKDXNWHRSA-N 1 1 321.403 -2.553 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCNS(C)(=O)=O)C2)C1 ZINC001389514209 923638835 /nfs/dbraw/zinc/63/88/35/923638835.db2.gz SIHSMDNRUOFJLI-VXGBXAGGSA-N 1 1 318.443 -1.322 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001389527383 923644962 /nfs/dbraw/zinc/64/49/62/923644962.db2.gz ZMQLOLFEUBYROG-GDPRMGEGSA-N 1 1 307.354 -1.066 20 0 DAADMO CCn1cc(C[NH2+][C@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001389555416 923646416 /nfs/dbraw/zinc/64/64/16/923646416.db2.gz QLMFORONNKZVRB-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]([NH2+]Cc1cn(C)nn1)C1CC1 ZINC001389581340 923648892 /nfs/dbraw/zinc/64/88/92/923648892.db2.gz CREHMUIJJHRHKB-KWQFWETISA-N 1 1 309.374 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001389595222 923650505 /nfs/dbraw/zinc/65/05/05/923650505.db2.gz LSPAGPQAHWXPFK-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cn(C)nn1)C1CC1 ZINC001389607752 923653896 /nfs/dbraw/zinc/65/38/96/923653896.db2.gz HEMJDQMHWLYYEU-NSHDSACASA-N 1 1 309.374 -1.272 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001389611109 923654725 /nfs/dbraw/zinc/65/47/25/923654725.db2.gz NREXAHASBUJKEU-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](CNC(=O)Cn2ncnn2)C2CC2)[nH]1 ZINC001389607242 923655195 /nfs/dbraw/zinc/65/51/95/923655195.db2.gz HUCRLYRVGUVWPG-JTQLQIEISA-N 1 1 305.346 -1.216 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001389611785 923655233 /nfs/dbraw/zinc/65/52/33/923655233.db2.gz NYFWOLJXBFXJHO-SECBINFHSA-N 1 1 310.362 -1.877 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)Cn2ncnn2)C2CC2)nn1 ZINC001389611111 923655292 /nfs/dbraw/zinc/65/52/92/923655292.db2.gz NREXAHASBUJKEU-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389633982 923657660 /nfs/dbraw/zinc/65/76/60/923657660.db2.gz ZHHBFZYDAGPRIC-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389633982 923657674 /nfs/dbraw/zinc/65/76/74/923657674.db2.gz ZHHBFZYDAGPRIC-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)n1 ZINC001389667128 923662606 /nfs/dbraw/zinc/66/26/06/923662606.db2.gz OGMVEESHATWLTR-WOPDTQHZSA-N 1 1 306.370 -1.079 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001389661409 923663630 /nfs/dbraw/zinc/66/36/30/923663630.db2.gz VEWCTQVIICIJNP-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001389680933 923665275 /nfs/dbraw/zinc/66/52/75/923665275.db2.gz WXWLBDBUGXKMHK-MNOVXSKESA-N 1 1 321.385 -1.137 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001389709919 923668513 /nfs/dbraw/zinc/66/85/13/923668513.db2.gz SFPHWWZUZZWITK-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389719525 923669271 /nfs/dbraw/zinc/66/92/71/923669271.db2.gz KOLPJISTWMNORB-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001389724923 923670837 /nfs/dbraw/zinc/67/08/37/923670837.db2.gz FBMNFFIEFTVESX-SECBINFHSA-N 1 1 323.357 -1.216 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C[C@H](C)O)C2 ZINC001389761529 923675605 /nfs/dbraw/zinc/67/56/05/923675605.db2.gz BCUWTWNSHZGTEA-WHOHXGKFSA-N 1 1 319.427 -1.020 20 0 DAADMO CN1CC(C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)=NC1=O ZINC001389796677 923681795 /nfs/dbraw/zinc/68/17/95/923681795.db2.gz GUHLYANFCQZRIW-VIFPVBQESA-N 1 1 316.383 -1.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001389851342 923689836 /nfs/dbraw/zinc/68/98/36/923689836.db2.gz PVUDNOGKZALTEU-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001389950511 923703446 /nfs/dbraw/zinc/70/34/46/923703446.db2.gz JANVVORNVMSEJP-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001390000264 923707302 /nfs/dbraw/zinc/70/73/02/923707302.db2.gz PFENJJCCODHTMI-TXEJJXNPSA-N 1 1 321.385 -1.001 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001390000264 923707310 /nfs/dbraw/zinc/70/73/10/923707310.db2.gz PFENJJCCODHTMI-TXEJJXNPSA-N 1 1 321.385 -1.001 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cnnn3)C2)n1 ZINC001390011738 923708858 /nfs/dbraw/zinc/70/88/58/923708858.db2.gz PVDCSWMUQRUHOB-AOOOYVTPSA-N 1 1 305.346 -1.371 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001390030048 923710966 /nfs/dbraw/zinc/71/09/66/923710966.db2.gz FEYAEYMCBJFZNS-TUAOUCFPSA-N 1 1 316.402 -1.121 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001390026377 923712038 /nfs/dbraw/zinc/71/20/38/923712038.db2.gz AZRPFEJAWKKUGU-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390122794 923719785 /nfs/dbraw/zinc/71/97/85/923719785.db2.gz IJUDHDPUYMAWJI-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390132395 923720603 /nfs/dbraw/zinc/72/06/03/923720603.db2.gz TWYHSNJEOPXCKZ-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390132395 923720613 /nfs/dbraw/zinc/72/06/13/923720613.db2.gz TWYHSNJEOPXCKZ-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184070 923722043 /nfs/dbraw/zinc/72/20/43/923722043.db2.gz JSMXKTNZRGQPFQ-GOVZDWNOSA-N 1 1 310.354 -1.347 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184070 923722048 /nfs/dbraw/zinc/72/20/48/923722048.db2.gz JSMXKTNZRGQPFQ-GOVZDWNOSA-N 1 1 310.354 -1.347 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001390211262 923722878 /nfs/dbraw/zinc/72/28/78/923722878.db2.gz CMHGYLSTANCBCF-JCIQBVFBSA-N 1 1 319.427 -1.259 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001390194212 923722950 /nfs/dbraw/zinc/72/29/50/923722950.db2.gz LQFDTQCAIGXNJB-SVPLCASGSA-N 1 1 311.382 -1.027 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184072 923723391 /nfs/dbraw/zinc/72/33/91/923723391.db2.gz JSMXKTNZRGQPFQ-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO CCO[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001390184072 923723402 /nfs/dbraw/zinc/72/34/02/923723402.db2.gz JSMXKTNZRGQPFQ-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)CNC(=O)Cn1cnnn1 ZINC001390275870 923725621 /nfs/dbraw/zinc/72/56/21/923725621.db2.gz AWIYRPRIGLYVBH-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C1CC1 ZINC001390349613 923730029 /nfs/dbraw/zinc/73/00/29/923730029.db2.gz ZUARANZIAVHHTE-YUMQZZPRSA-N 1 1 310.362 -1.341 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)c1ncccc1O ZINC001390346197 923730468 /nfs/dbraw/zinc/73/04/68/923730468.db2.gz RXTZBUNPOPPKRZ-MRVPVSSYSA-N 1 1 309.326 -1.049 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001390386118 923731228 /nfs/dbraw/zinc/73/12/28/923731228.db2.gz VJJWCHFGOADDLT-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncn1C)S(C)(=O)=O ZINC001390390853 923733138 /nfs/dbraw/zinc/73/31/38/923733138.db2.gz DADIYHHDJIOZFR-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390309 923734020 /nfs/dbraw/zinc/73/40/20/923734020.db2.gz XFQVYFGCPOCFBF-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001390390309 923734036 /nfs/dbraw/zinc/73/40/36/923734036.db2.gz XFQVYFGCPOCFBF-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ncnn1C ZINC001390398263 923735287 /nfs/dbraw/zinc/73/52/87/923735287.db2.gz KKDYENATAIIOSA-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001390411712 923738121 /nfs/dbraw/zinc/73/81/21/923738121.db2.gz YZBXERRPZPAQDR-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncccn1 ZINC001390478558 923746200 /nfs/dbraw/zinc/74/62/00/923746200.db2.gz IENWQVUZVAJNBH-IUCAKERBSA-N 1 1 306.326 -1.331 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cnn(C)n1 ZINC001390486480 923746524 /nfs/dbraw/zinc/74/65/24/923746524.db2.gz VLMPEERXXYIMRX-INTQDDNPSA-N 1 1 310.358 -1.558 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001390464903 923747809 /nfs/dbraw/zinc/74/78/09/923747809.db2.gz DNTGTGUGMGMLPA-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1nnnn1C ZINC001390470629 923747875 /nfs/dbraw/zinc/74/78/75/923747875.db2.gz DOOIGJATABXNSE-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001390462867 923748400 /nfs/dbraw/zinc/74/84/00/923748400.db2.gz UAQUPRRHGRIJAX-SECBINFHSA-N 1 1 309.374 -1.861 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390465116 923748456 /nfs/dbraw/zinc/74/84/56/923748456.db2.gz LPQPBEKJSDJCPL-IUCAKERBSA-N 1 1 310.362 -1.641 20 0 DAADMO CCn1nc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)ccc1=O ZINC001390490862 923751462 /nfs/dbraw/zinc/75/14/62/923751462.db2.gz RNAQDRDAZMIXGY-VIFPVBQESA-N 1 1 320.357 -1.305 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NCc2nnn(C)n2)C1 ZINC001390530596 923753562 /nfs/dbraw/zinc/75/35/62/923753562.db2.gz JCMWNLTXFSPGCR-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NCc2nnn(C)n2)C1 ZINC001390530596 923753576 /nfs/dbraw/zinc/75/35/76/923753576.db2.gz JCMWNLTXFSPGCR-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NCc2nnn(C)n2)C1 ZINC001390530560 923753988 /nfs/dbraw/zinc/75/39/88/923753988.db2.gz JCMWNLTXFSPGCR-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NCc2nnn(C)n2)C1 ZINC001390530560 923754001 /nfs/dbraw/zinc/75/40/01/923754001.db2.gz JCMWNLTXFSPGCR-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001390583898 923761999 /nfs/dbraw/zinc/76/19/99/923761999.db2.gz RQCNGFFTBHCYCF-GXSJLCMTSA-N 1 1 309.374 -1.327 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001390624367 923764190 /nfs/dbraw/zinc/76/41/90/923764190.db2.gz QQUNTEMPHVXONM-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001390624367 923764204 /nfs/dbraw/zinc/76/42/04/923764204.db2.gz QQUNTEMPHVXONM-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001390619136 923764792 /nfs/dbraw/zinc/76/47/92/923764792.db2.gz LYPMMLKTLANPDN-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001390637302 923766397 /nfs/dbraw/zinc/76/63/97/923766397.db2.gz RTPMNDNCKMLBBQ-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001390637302 923766406 /nfs/dbraw/zinc/76/64/06/923766406.db2.gz RTPMNDNCKMLBBQ-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625526 923768097 /nfs/dbraw/zinc/76/80/97/923768097.db2.gz NQQSWQCYSCXBHD-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625526 923768111 /nfs/dbraw/zinc/76/81/11/923768111.db2.gz NQQSWQCYSCXBHD-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001390742911 923772055 /nfs/dbraw/zinc/77/20/55/923772055.db2.gz PTCARLYEAQXSFT-NSHDSACASA-N 1 1 307.416 -1.590 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001390742911 923772072 /nfs/dbraw/zinc/77/20/72/923772072.db2.gz PTCARLYEAQXSFT-NSHDSACASA-N 1 1 307.416 -1.590 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001390758878 923772111 /nfs/dbraw/zinc/77/21/11/923772111.db2.gz HRUCHRMFCCFDLU-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001390758878 923772125 /nfs/dbraw/zinc/77/21/25/923772125.db2.gz HRUCHRMFCCFDLU-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001390731674 923772901 /nfs/dbraw/zinc/77/29/01/923772901.db2.gz NUBXNMQBWLDOFH-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001390731674 923772913 /nfs/dbraw/zinc/77/29/13/923772913.db2.gz NUBXNMQBWLDOFH-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001390736889 923773170 /nfs/dbraw/zinc/77/31/70/923773170.db2.gz UEHIAXOOTPYTKA-QMMMGPOBSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001390736889 923773182 /nfs/dbraw/zinc/77/31/82/923773182.db2.gz UEHIAXOOTPYTKA-QMMMGPOBSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749648 923773270 /nfs/dbraw/zinc/77/32/70/923773270.db2.gz TZCCIIZXCDEPBI-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001390749648 923773283 /nfs/dbraw/zinc/77/32/83/923773283.db2.gz TZCCIIZXCDEPBI-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001390731666 923773523 /nfs/dbraw/zinc/77/35/23/923773523.db2.gz NOYJXKFDKVITNF-UHFFFAOYSA-N 1 1 310.358 -1.534 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001390731666 923773538 /nfs/dbraw/zinc/77/35/38/923773538.db2.gz NOYJXKFDKVITNF-UHFFFAOYSA-N 1 1 310.358 -1.534 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C)[C@H]2CCCN(C)C2=O)c1=O ZINC001390782006 923776254 /nfs/dbraw/zinc/77/62/54/923776254.db2.gz HRJWZMLEURZXRT-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)[C@H]2CCCN(C)C2=O)c1=O ZINC001390782006 923776263 /nfs/dbraw/zinc/77/62/63/923776263.db2.gz HRJWZMLEURZXRT-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001390760749 923776458 /nfs/dbraw/zinc/77/64/58/923776458.db2.gz ATQJBSSZFRQRIR-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001390760749 923776470 /nfs/dbraw/zinc/77/64/70/923776470.db2.gz ATQJBSSZFRQRIR-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CCN1CCNC1=O ZINC001390779254 923777624 /nfs/dbraw/zinc/77/76/24/923777624.db2.gz HDWRUKKSPSDJMB-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001390760507 923777654 /nfs/dbraw/zinc/77/76/54/923777654.db2.gz UPKBVFTUAMHLHW-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001390760507 923777664 /nfs/dbraw/zinc/77/76/64/923777664.db2.gz UPKBVFTUAMHLHW-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390762836 923778678 /nfs/dbraw/zinc/77/86/78/923778678.db2.gz SVQCRXCUMYKBEU-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390762836 923778683 /nfs/dbraw/zinc/77/86/83/923778683.db2.gz SVQCRXCUMYKBEU-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001390779557 923779073 /nfs/dbraw/zinc/77/90/73/923779073.db2.gz IYULDHOEPOIWEA-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001390779557 923779087 /nfs/dbraw/zinc/77/90/87/923779087.db2.gz IYULDHOEPOIWEA-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@@H]2CCc3ncnn32)NC1=O ZINC001390795118 923780371 /nfs/dbraw/zinc/78/03/71/923780371.db2.gz CFESXXUUUGZUIV-WDEREUQCSA-N 1 1 321.385 -1.163 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccnc2c1nnn2C ZINC001390814329 923782082 /nfs/dbraw/zinc/78/20/82/923782082.db2.gz XHVBBXPFKSYIBM-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccnc2c1nnn2C ZINC001390814329 923782097 /nfs/dbraw/zinc/78/20/97/923782097.db2.gz XHVBBXPFKSYIBM-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001390796470 923782625 /nfs/dbraw/zinc/78/26/25/923782625.db2.gz UOLZXIZQSASPIK-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001390801810 923782796 /nfs/dbraw/zinc/78/27/96/923782796.db2.gz YLXXJQXIXDONMG-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001390801810 923782802 /nfs/dbraw/zinc/78/28/02/923782802.db2.gz YLXXJQXIXDONMG-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO C[C@H](O)CCC[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001390795284 923782825 /nfs/dbraw/zinc/78/28/25/923782825.db2.gz FLNSMRNNSDQNFK-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2cnco2)n(C)c1=O ZINC001390791590 923783217 /nfs/dbraw/zinc/78/32/17/923783217.db2.gz CWIFLPSHAMTUSU-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2cnco2)n(C)c1=O ZINC001390791590 923783229 /nfs/dbraw/zinc/78/32/29/923783229.db2.gz CWIFLPSHAMTUSU-UHFFFAOYSA-N 1 1 321.337 -1.066 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1c[nH]cn1)C[C@H](O)CN1CCCC1=O ZINC001390821360 923784261 /nfs/dbraw/zinc/78/42/61/923784261.db2.gz ASLGFAGHNHQOEQ-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)Cc1ncc[nH]1)S(C)(=O)=O ZINC001390839420 923785301 /nfs/dbraw/zinc/78/53/01/923785301.db2.gz YUJJHXKEXBUFQO-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)Cc1ncc[nH]1)S(C)(=O)=O ZINC001390839420 923785315 /nfs/dbraw/zinc/78/53/15/923785315.db2.gz YUJJHXKEXBUFQO-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1nccc1C ZINC001390815422 923785395 /nfs/dbraw/zinc/78/53/95/923785395.db2.gz AOQPKHFWYJTGTL-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1nccc1C ZINC001390815422 923785405 /nfs/dbraw/zinc/78/54/05/923785405.db2.gz AOQPKHFWYJTGTL-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001390847369 923785562 /nfs/dbraw/zinc/78/55/62/923785562.db2.gz WWTOMVLYBIJVLC-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001390847369 923785570 /nfs/dbraw/zinc/78/55/70/923785570.db2.gz WWTOMVLYBIJVLC-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO COc1ncc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)cn1 ZINC001390846262 923785902 /nfs/dbraw/zinc/78/59/02/923785902.db2.gz VEWJGJQBOLNVEK-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)cn1 ZINC001390846262 923785910 /nfs/dbraw/zinc/78/59/10/923785910.db2.gz VEWJGJQBOLNVEK-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001390824890 923786365 /nfs/dbraw/zinc/78/63/65/923786365.db2.gz RHJOVGWVMZHTME-NSHDSACASA-N 1 1 322.431 -1.533 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390817810 923787233 /nfs/dbraw/zinc/78/72/33/923787233.db2.gz ILHDIRSGBCSVEI-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390817810 923787240 /nfs/dbraw/zinc/78/72/40/923787240.db2.gz ILHDIRSGBCSVEI-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)[C@H](C)C(=O)NC(N)=O ZINC001390861224 923789168 /nfs/dbraw/zinc/78/91/68/923789168.db2.gz FWZJXJIPSOKAMH-SNVBAGLBSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001390865487 923789796 /nfs/dbraw/zinc/78/97/96/923789796.db2.gz VVLVIEBQSBIWSG-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001390865487 923789805 /nfs/dbraw/zinc/78/98/05/923789805.db2.gz VVLVIEBQSBIWSG-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)CNC(C)=O ZINC001390875548 923789858 /nfs/dbraw/zinc/78/98/58/923789858.db2.gz WUIHTYVIVRWXDM-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)CNC(C)=O ZINC001390875548 923789871 /nfs/dbraw/zinc/78/98/71/923789871.db2.gz WUIHTYVIVRWXDM-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO C[N@H+](CCNC(=O)CCN1CCCC1=O)CC(=O)NC(N)=O ZINC001390864415 923790426 /nfs/dbraw/zinc/79/04/26/923790426.db2.gz OUQUARHCYDJNSE-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO C[N@@H+](CCNC(=O)CCN1CCCC1=O)CC(=O)NC(N)=O ZINC001390864415 923790437 /nfs/dbraw/zinc/79/04/37/923790437.db2.gz OUQUARHCYDJNSE-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001390856301 923790825 /nfs/dbraw/zinc/79/08/25/923790825.db2.gz CIFNUIKURLACFO-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccnc1C(N)=O ZINC001390856301 923790830 /nfs/dbraw/zinc/79/08/30/923790830.db2.gz CIFNUIKURLACFO-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CCNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390862780 923791384 /nfs/dbraw/zinc/79/13/84/923791384.db2.gz NUNUGAYOJCDURO-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C[C@H](O)COC ZINC001390906195 923792575 /nfs/dbraw/zinc/79/25/75/923792575.db2.gz NOTCVWKITFLLMB-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)C(=O)COC)[C@H]1CCNC1=O ZINC001390917102 923792790 /nfs/dbraw/zinc/79/27/90/923792790.db2.gz NHSGFOHFSGKRBV-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccc(=O)n1C)CC(=O)NC(N)=O ZINC001390955957 923793709 /nfs/dbraw/zinc/79/37/09/923793709.db2.gz LSJKXPXSDRSIAE-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccc(=O)n1C)CC(=O)NC(N)=O ZINC001390955957 923793719 /nfs/dbraw/zinc/79/37/19/923793719.db2.gz LSJKXPXSDRSIAE-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(N)=O ZINC001390900921 923793830 /nfs/dbraw/zinc/79/38/30/923793830.db2.gz RBYADKVJLPSBDG-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(N)=O ZINC001390900921 923793836 /nfs/dbraw/zinc/79/38/36/923793836.db2.gz RBYADKVJLPSBDG-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001390912217 923793861 /nfs/dbraw/zinc/79/38/61/923793861.db2.gz YNSWVVLKCUDSQP-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001390912217 923793868 /nfs/dbraw/zinc/79/38/68/923793868.db2.gz YNSWVVLKCUDSQP-GFCCVEGCSA-N 1 1 321.443 -1.200 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001390886988 923794770 /nfs/dbraw/zinc/79/47/70/923794770.db2.gz JXQAHIRQMTXUIW-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001390886988 923794784 /nfs/dbraw/zinc/79/47/84/923794784.db2.gz JXQAHIRQMTXUIW-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@H](O)COC ZINC001390900536 923795624 /nfs/dbraw/zinc/79/56/24/923795624.db2.gz GXNCIWGGEHTQSH-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)CC(=O)NC ZINC001390945737 923795692 /nfs/dbraw/zinc/79/56/92/923795692.db2.gz MJMAJGTWLVPYCN-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)CC(=O)NC ZINC001390945737 923795707 /nfs/dbraw/zinc/79/57/07/923795707.db2.gz MJMAJGTWLVPYCN-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001391041357 923797541 /nfs/dbraw/zinc/79/75/41/923797541.db2.gz BADVZTVJKKWVIE-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001391041357 923797559 /nfs/dbraw/zinc/79/75/59/923797559.db2.gz BADVZTVJKKWVIE-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001391048520 923798206 /nfs/dbraw/zinc/79/82/06/923798206.db2.gz FJCSOYFZWLUQRZ-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001391048520 923798219 /nfs/dbraw/zinc/79/82/19/923798219.db2.gz FJCSOYFZWLUQRZ-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391030729 923798298 /nfs/dbraw/zinc/79/82/98/923798298.db2.gz MZFRTIKQOFXBGH-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391030729 923798317 /nfs/dbraw/zinc/79/83/17/923798317.db2.gz MZFRTIKQOFXBGH-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391047289 923798612 /nfs/dbraw/zinc/79/86/12/923798612.db2.gz JTVKFPZIHYGYCV-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnc(OC)nc1)CC(=O)NC(N)=O ZINC001390996827 923798658 /nfs/dbraw/zinc/79/86/58/923798658.db2.gz RBZPWOPKDWHJCT-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnc(OC)nc1)CC(=O)NC(N)=O ZINC001390996827 923798664 /nfs/dbraw/zinc/79/86/64/923798664.db2.gz RBZPWOPKDWHJCT-UHFFFAOYSA-N 1 1 324.341 -1.268 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001391049810 923800310 /nfs/dbraw/zinc/80/03/10/923800310.db2.gz SXGDXADDFCVJJT-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001391049810 923800329 /nfs/dbraw/zinc/80/03/29/923800329.db2.gz SXGDXADDFCVJJT-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001391064615 923801574 /nfs/dbraw/zinc/80/15/74/923801574.db2.gz FDJROOHCPOEOBY-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO COCC(=O)NC[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001391078610 923801992 /nfs/dbraw/zinc/80/19/92/923801992.db2.gz HOSWQZSBYHPDJI-LLVKDONJSA-N 1 1 324.381 -1.332 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053042 923802032 /nfs/dbraw/zinc/80/20/32/923802032.db2.gz TXXRNKBOBBZSLX-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053042 923802046 /nfs/dbraw/zinc/80/20/46/923802046.db2.gz TXXRNKBOBBZSLX-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001391087176 923802222 /nfs/dbraw/zinc/80/22/22/923802222.db2.gz UFSFJMQIBBXUSC-NSHDSACASA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCO)C1(n2cnnn2)CCOCC1 ZINC001391066305 923802355 /nfs/dbraw/zinc/80/23/55/923802355.db2.gz AMIORPAEEPUQGC-LBPRGKRZSA-N 1 1 324.385 -1.248 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001391055364 923802394 /nfs/dbraw/zinc/80/23/94/923802394.db2.gz ZVTGXCJTTCXEQG-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001391055364 923802409 /nfs/dbraw/zinc/80/24/09/923802409.db2.gz ZVTGXCJTTCXEQG-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)cnn1C ZINC001391085701 923803432 /nfs/dbraw/zinc/80/34/32/923803432.db2.gz PTTIQJGWHXHBCI-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001391114564 923805235 /nfs/dbraw/zinc/80/52/35/923805235.db2.gz MGFSHAZETRTLGT-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001391100048 923805542 /nfs/dbraw/zinc/80/55/42/923805542.db2.gz SAMICTXCZOFHQB-JTQLQIEISA-N 1 1 323.353 -2.530 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001391094261 923805892 /nfs/dbraw/zinc/80/58/92/923805892.db2.gz FUAXFDHETXRPIO-JTQLQIEISA-N 1 1 322.369 -1.404 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391097941 923806085 /nfs/dbraw/zinc/80/60/85/923806085.db2.gz PWXCGVVIORYXJL-NSHDSACASA-N 1 1 322.431 -1.533 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001391098898 923806504 /nfs/dbraw/zinc/80/65/04/923806504.db2.gz LACXSYZPYZFOLD-VHSXEESVSA-N 1 1 323.353 -1.739 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391097939 923806918 /nfs/dbraw/zinc/80/69/18/923806918.db2.gz PWXCGVVIORYXJL-LLVKDONJSA-N 1 1 322.431 -1.533 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001391100080 923807209 /nfs/dbraw/zinc/80/72/09/923807209.db2.gz NMTLVADQBMZNLI-GHMZBOCLSA-N 1 1 324.385 -1.716 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCOCC1=O)CC(N)=O ZINC001391126759 923808370 /nfs/dbraw/zinc/80/83/70/923808370.db2.gz YLRUWRZETNZCBL-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCOCC1=O)CC(N)=O ZINC001391126759 923808378 /nfs/dbraw/zinc/80/83/78/923808378.db2.gz YLRUWRZETNZCBL-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001391143499 923809126 /nfs/dbraw/zinc/80/91/26/923809126.db2.gz CWLSSGSHWLJOMO-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001391143499 923809141 /nfs/dbraw/zinc/80/91/41/923809141.db2.gz CWLSSGSHWLJOMO-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001391159704 923809341 /nfs/dbraw/zinc/80/93/41/923809341.db2.gz DVNLNOXFFIPHCG-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cn(C)nn1)C1CC1 ZINC001391159704 923809346 /nfs/dbraw/zinc/80/93/46/923809346.db2.gz DVNLNOXFFIPHCG-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H](C)C(=O)NC ZINC001391134656 923810459 /nfs/dbraw/zinc/81/04/59/923810459.db2.gz GEDFTTSITFOLJB-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001391171440 923811939 /nfs/dbraw/zinc/81/19/39/923811939.db2.gz ZRBNWJWOYKTNFS-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001391171440 923811949 /nfs/dbraw/zinc/81/19/49/923811949.db2.gz ZRBNWJWOYKTNFS-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001391167700 923812037 /nfs/dbraw/zinc/81/20/37/923812037.db2.gz AHYKWWHSYQYJLL-SECBINFHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001391167700 923812044 /nfs/dbraw/zinc/81/20/44/923812044.db2.gz AHYKWWHSYQYJLL-SECBINFHSA-N 1 1 323.353 -1.597 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[N@H+](CCCO)C1CC1 ZINC001391165800 923812337 /nfs/dbraw/zinc/81/23/37/923812337.db2.gz CKPYKZFLKDEWIH-UHFFFAOYSA-N 1 1 319.427 -1.015 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1csnn1)C1CC1 ZINC001391178518 923812581 /nfs/dbraw/zinc/81/25/81/923812581.db2.gz VNRFTXIEPVXVPW-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1csnn1)C1CC1 ZINC001391178518 923812589 /nfs/dbraw/zinc/81/25/89/923812589.db2.gz VNRFTXIEPVXVPW-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)C1=O ZINC001391193423 923813136 /nfs/dbraw/zinc/81/31/36/923813136.db2.gz ZPNGHYCNGTYHAG-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C2CC2)C1=O ZINC001391193423 923813150 /nfs/dbraw/zinc/81/31/50/923813150.db2.gz ZPNGHYCNGTYHAG-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001391166301 923813594 /nfs/dbraw/zinc/81/35/94/923813594.db2.gz GRJPORKBQRWYMJ-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001391166301 923813603 /nfs/dbraw/zinc/81/36/03/923813603.db2.gz GRJPORKBQRWYMJ-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC[N@H+](CCCO)C1CC1 ZINC001391187387 923813760 /nfs/dbraw/zinc/81/37/60/923813760.db2.gz KNQWCUNWNRFYBA-UHFFFAOYSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC001391166265 923813820 /nfs/dbraw/zinc/81/38/20/923813820.db2.gz FUPCOFVBZRGHEE-NSHDSACASA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001391167701 923813941 /nfs/dbraw/zinc/81/39/41/923813941.db2.gz AHYKWWHSYQYJLL-VIFPVBQESA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001391167701 923813949 /nfs/dbraw/zinc/81/39/49/923813949.db2.gz AHYKWWHSYQYJLL-VIFPVBQESA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001391197206 923815515 /nfs/dbraw/zinc/81/55/15/923815515.db2.gz LWCQAVXEZCRGIP-SECBINFHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001391197206 923815532 /nfs/dbraw/zinc/81/55/32/923815532.db2.gz LWCQAVXEZCRGIP-SECBINFHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001391197208 923815571 /nfs/dbraw/zinc/81/55/71/923815571.db2.gz LWCQAVXEZCRGIP-VIFPVBQESA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C1CC1 ZINC001391197208 923815584 /nfs/dbraw/zinc/81/55/84/923815584.db2.gz LWCQAVXEZCRGIP-VIFPVBQESA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCNC1=O)c1nnnn1C ZINC001391208896 923817100 /nfs/dbraw/zinc/81/71/00/923817100.db2.gz NTJDAKGMZWGKAM-JTQLQIEISA-N 1 1 324.389 -1.266 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391258640 923823046 /nfs/dbraw/zinc/82/30/46/923823046.db2.gz GSIBWPYCNXRXNU-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001391282933 923823597 /nfs/dbraw/zinc/82/35/97/923823597.db2.gz QGORSDUHPXEMMM-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001391282927 923823641 /nfs/dbraw/zinc/82/36/41/923823641.db2.gz QGORSDUHPXEMMM-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001391320220 923825886 /nfs/dbraw/zinc/82/58/86/923825886.db2.gz JDIDZHRFKZWDJP-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391348061 923827805 /nfs/dbraw/zinc/82/78/05/923827805.db2.gz QISVWCXPCJYQRQ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391346732 923828374 /nfs/dbraw/zinc/82/83/74/923828374.db2.gz DTEMTHUXYLLABR-SNVBAGLBSA-N 1 1 310.358 -1.850 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391373449 923828626 /nfs/dbraw/zinc/82/86/26/923828626.db2.gz HYCDSGVQLAHSJB-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391373449 923828635 /nfs/dbraw/zinc/82/86/35/923828635.db2.gz HYCDSGVQLAHSJB-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391356576 923828703 /nfs/dbraw/zinc/82/87/03/923828703.db2.gz KNIBGOVEYMJDTF-MEWQQHAOSA-N 1 1 324.381 -1.146 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001391347973 923828735 /nfs/dbraw/zinc/82/87/35/923828735.db2.gz LKPIAMCXZIHLLD-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001391348063 923829512 /nfs/dbraw/zinc/82/95/12/923829512.db2.gz QISVWCXPCJYQRQ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C(N)=O ZINC001391386053 923830268 /nfs/dbraw/zinc/83/02/68/923830268.db2.gz RNCPQLCXXXWVEK-NEPJUHHUSA-N 1 1 314.386 -1.671 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001391378586 923830627 /nfs/dbraw/zinc/83/06/27/923830627.db2.gz BRMDGVQZSILZCA-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001391378586 923830634 /nfs/dbraw/zinc/83/06/34/923830634.db2.gz BRMDGVQZSILZCA-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCCS(C)(=O)=O)C2)C1 ZINC001391410710 923832155 /nfs/dbraw/zinc/83/21/55/923832155.db2.gz HLFFSZMGKZJRAK-LBPRGKRZSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCCS(C)(=O)=O)C2)C1 ZINC001391410710 923832168 /nfs/dbraw/zinc/83/21/68/923832168.db2.gz HLFFSZMGKZJRAK-LBPRGKRZSA-N 1 1 319.427 -1.448 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001391402049 923833504 /nfs/dbraw/zinc/83/35/04/923833504.db2.gz WSZVEBKUUWZMHD-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001391387647 923833674 /nfs/dbraw/zinc/83/36/74/923833674.db2.gz FLATZBVNYOASSE-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001391387647 923833681 /nfs/dbraw/zinc/83/36/81/923833681.db2.gz FLATZBVNYOASSE-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391447798 923840140 /nfs/dbraw/zinc/84/01/40/923840140.db2.gz UMCGNAYMYOTDBP-UHFFFAOYSA-N 1 1 309.374 -1.767 20 0 DAADMO CO[C@H](C)C[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391449253 923840514 /nfs/dbraw/zinc/84/05/14/923840514.db2.gz RRCNJMSPABCONY-SECBINFHSA-N 1 1 308.404 -1.782 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)CCn3ccnn3)C2)C1=O ZINC001391473810 923844525 /nfs/dbraw/zinc/84/45/25/923844525.db2.gz JHDKPFJCLRKGGG-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnc(CN2CC(CNC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001391513104 923849264 /nfs/dbraw/zinc/84/92/64/923849264.db2.gz WBUDMQFGJWJXMM-UHFFFAOYSA-N 1 1 323.401 -1.520 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001391502679 923850669 /nfs/dbraw/zinc/85/06/69/923850669.db2.gz GZBYCISMSLHSGZ-WPRPVWTQSA-N 1 1 320.415 -1.764 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNC(N)=O ZINC001391537126 923852694 /nfs/dbraw/zinc/85/26/94/923852694.db2.gz QDGGIXWXFQIHTF-DCAQKATOSA-N 1 1 300.359 -1.663 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001391531136 923854158 /nfs/dbraw/zinc/85/41/58/923854158.db2.gz LITMTPRCYFLTQZ-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001391531136 923854164 /nfs/dbraw/zinc/85/41/64/923854164.db2.gz LITMTPRCYFLTQZ-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001391543597 923856541 /nfs/dbraw/zinc/85/65/41/923856541.db2.gz FZYOOTCRWLQSQD-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(=O)N1 ZINC001391538589 923857257 /nfs/dbraw/zinc/85/72/57/923857257.db2.gz CJLCWMJONIPESR-MROQNXINSA-N 1 1 311.382 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001391544870 923857289 /nfs/dbraw/zinc/85/72/89/923857289.db2.gz NCWHZQGXLCFDDR-GARJFASQSA-N 1 1 302.375 -1.369 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001391588482 923859880 /nfs/dbraw/zinc/85/98/80/923859880.db2.gz QCNISRDODZCKOS-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001391583972 923861021 /nfs/dbraw/zinc/86/10/21/923861021.db2.gz ODXPFVOVILYMKI-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001391583972 923861032 /nfs/dbraw/zinc/86/10/32/923861032.db2.gz ODXPFVOVILYMKI-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001391624603 923863302 /nfs/dbraw/zinc/86/33/02/923863302.db2.gz GZYMMZCUPOEUOJ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001391595126 923863433 /nfs/dbraw/zinc/86/34/33/923863433.db2.gz FJPJIRHGGWLNDV-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391614832 923863937 /nfs/dbraw/zinc/86/39/37/923863937.db2.gz ZSYLLMSGADDBJR-LLVKDONJSA-N 1 1 300.359 -2.236 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001391624615 923863967 /nfs/dbraw/zinc/86/39/67/923863967.db2.gz GZYMMZCUPOEUOJ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001391602240 923864590 /nfs/dbraw/zinc/86/45/90/923864590.db2.gz KRJBSXOXYVVZLV-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608014 923864660 /nfs/dbraw/zinc/86/46/60/923864660.db2.gz UKYCTPLSXHAFAP-BDAKNGLRSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608014 923864669 /nfs/dbraw/zinc/86/46/69/923864669.db2.gz UKYCTPLSXHAFAP-BDAKNGLRSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608099 923865012 /nfs/dbraw/zinc/86/50/12/923865012.db2.gz UKYCTPLSXHAFAP-RKDXNWHRSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001391608099 923865021 /nfs/dbraw/zinc/86/50/21/923865021.db2.gz UKYCTPLSXHAFAP-RKDXNWHRSA-N 1 1 324.345 -2.211 20 0 DAADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001391627246 923868032 /nfs/dbraw/zinc/86/80/32/923868032.db2.gz AMQJXFQCTNLUDW-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001391641730 923868085 /nfs/dbraw/zinc/86/80/85/923868085.db2.gz KXIXMEUFNOXVQY-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001391641730 923868097 /nfs/dbraw/zinc/86/80/97/923868097.db2.gz KXIXMEUFNOXVQY-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnn(CC)n1 ZINC001391661067 923868894 /nfs/dbraw/zinc/86/88/94/923868894.db2.gz RRAUXRHBXRMJOM-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C ZINC001391675250 923869262 /nfs/dbraw/zinc/86/92/62/923869262.db2.gz FGGHWTGESGYFGD-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1nnn(C)n1 ZINC001391918549 923884136 /nfs/dbraw/zinc/88/41/36/923884136.db2.gz DHHVRRXSPHJBDA-MRVPVSSYSA-N 1 1 308.346 -1.195 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391886958 923884461 /nfs/dbraw/zinc/88/44/61/923884461.db2.gz MERYHJDKGAKUOT-SECBINFHSA-N 1 1 307.362 -1.023 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391974436 923891367 /nfs/dbraw/zinc/89/13/67/923891367.db2.gz RLFAGWRDVRRBEV-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391974436 923891374 /nfs/dbraw/zinc/89/13/74/923891374.db2.gz RLFAGWRDVRRBEV-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@H](O)CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976111 923893793 /nfs/dbraw/zinc/89/37/93/923893793.db2.gz IFUQSSCMZXJOKY-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976111 923893800 /nfs/dbraw/zinc/89/38/00/923893800.db2.gz IFUQSSCMZXJOKY-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)CCO1 ZINC001391989772 923898400 /nfs/dbraw/zinc/89/84/00/923898400.db2.gz LTHLYARLXLFYGN-OLZOCXBDSA-N 1 1 321.381 -1.103 20 0 DAADMO COC[C@@H](O)CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391988206 923899045 /nfs/dbraw/zinc/89/90/45/923899045.db2.gz POMSNACSRAJPKV-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001391991310 923901727 /nfs/dbraw/zinc/90/17/27/923901727.db2.gz UILXRSBQOPEIHK-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001391991310 923901732 /nfs/dbraw/zinc/90/17/32/923901732.db2.gz UILXRSBQOPEIHK-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001391991900 923902485 /nfs/dbraw/zinc/90/24/85/923902485.db2.gz XKRWFADIMQXLBK-WDEREUQCSA-N 1 1 300.359 -2.190 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001392003700 923904117 /nfs/dbraw/zinc/90/41/17/923904117.db2.gz KCJICRUQJDZVOG-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001392006347 923907190 /nfs/dbraw/zinc/90/71/90/923907190.db2.gz VKQNBYCTXNVMRO-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392041449 923918498 /nfs/dbraw/zinc/91/84/98/923918498.db2.gz PSTPYFMOISHKJG-GXSJLCMTSA-N 1 1 323.353 -1.929 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001392044055 923919904 /nfs/dbraw/zinc/91/99/04/923919904.db2.gz IMBQGNXASCYBEC-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392090029 923928346 /nfs/dbraw/zinc/92/83/46/923928346.db2.gz VVWJJWMFXAUDDT-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001392094172 923928885 /nfs/dbraw/zinc/92/88/85/923928885.db2.gz VKMBZSQWPNLVMX-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001392091582 923929050 /nfs/dbraw/zinc/92/90/50/923929050.db2.gz DMOAHHFWBGJZAP-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001392094151 923929462 /nfs/dbraw/zinc/92/94/62/923929462.db2.gz SBGDCXNUOIAJTM-OUAUKWLOSA-N 1 1 309.370 -1.043 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001392093877 923929580 /nfs/dbraw/zinc/92/95/80/923929580.db2.gz NVEVHKZFSBOHLR-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392095906 923930414 /nfs/dbraw/zinc/93/04/14/923930414.db2.gz VTLPMMDSZHWJJK-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1nccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392096265 923931123 /nfs/dbraw/zinc/93/11/23/923931123.db2.gz DBJDEQOBZVNRRW-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001392096582 923931346 /nfs/dbraw/zinc/93/13/46/923931346.db2.gz FJWVETPYORDEDV-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001392096582 923931354 /nfs/dbraw/zinc/93/13/54/923931354.db2.gz FJWVETPYORDEDV-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cccnn2)C1 ZINC001392096450 923931773 /nfs/dbraw/zinc/93/17/73/923931773.db2.gz DUXSZTCTTXDVFJ-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001392098223 923931872 /nfs/dbraw/zinc/93/18/72/923931872.db2.gz JJOFIVMWYGRYRI-ZOWXZIJZSA-N 1 1 322.365 -1.179 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392095903 923931899 /nfs/dbraw/zinc/93/18/99/923931899.db2.gz VTLPMMDSZHWJJK-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001392100467 923933724 /nfs/dbraw/zinc/93/37/24/923933724.db2.gz NEWGSYTYNVUBJH-QMMMGPOBSA-N 1 1 320.357 -1.113 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001392103578 923935350 /nfs/dbraw/zinc/93/53/50/923935350.db2.gz GHWPISFCHZEEFL-DTWKUNHWSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001392115789 923937712 /nfs/dbraw/zinc/93/77/12/923937712.db2.gz MQKDLNHPAKSYNK-VIFPVBQESA-N 1 1 324.341 -1.052 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)CC1 ZINC001392125436 923939075 /nfs/dbraw/zinc/93/90/75/923939075.db2.gz CYGQNLBDXYLRKP-LLVKDONJSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392157117 923943727 /nfs/dbraw/zinc/94/37/27/923943727.db2.gz ZGPAVJKIWXELHK-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001392157651 923945062 /nfs/dbraw/zinc/94/50/62/923945062.db2.gz ZHOXDPHFPXGURZ-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001392157651 923945068 /nfs/dbraw/zinc/94/50/68/923945068.db2.gz ZHOXDPHFPXGURZ-SECBINFHSA-N 1 1 310.358 -1.647 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nnnn1C ZINC001392207085 923949531 /nfs/dbraw/zinc/94/95/31/923949531.db2.gz OQHIPRVYWCIDPC-QWRGUYRKSA-N 1 1 312.374 -1.144 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1COCCO1)[NH2+]Cc1nnnn1C ZINC001392207079 923950345 /nfs/dbraw/zinc/95/03/45/923950345.db2.gz OQHIPRVYWCIDPC-GHMZBOCLSA-N 1 1 312.374 -1.144 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCOCC1 ZINC001392252351 923951702 /nfs/dbraw/zinc/95/17/02/923951702.db2.gz JYZGOKMQVURKFK-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC001392252351 923951713 /nfs/dbraw/zinc/95/17/13/923951713.db2.gz JYZGOKMQVURKFK-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392259696 923952153 /nfs/dbraw/zinc/95/21/53/923952153.db2.gz MLDGRIYYJHCERS-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392259696 923952167 /nfs/dbraw/zinc/95/21/67/923952167.db2.gz MLDGRIYYJHCERS-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001392290907 923954323 /nfs/dbraw/zinc/95/43/23/923954323.db2.gz SJCCNPQQUJLYKP-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001392290907 923954338 /nfs/dbraw/zinc/95/43/38/923954338.db2.gz SJCCNPQQUJLYKP-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392266393 923954565 /nfs/dbraw/zinc/95/45/65/923954565.db2.gz YKIJGSQNCKNGOQ-ZJUUUORDSA-N 1 1 316.358 -1.625 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392266393 923954582 /nfs/dbraw/zinc/95/45/82/923954582.db2.gz YKIJGSQNCKNGOQ-ZJUUUORDSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001392284127 923954843 /nfs/dbraw/zinc/95/48/43/923954843.db2.gz KWEUFFPCUOTQOC-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001392284127 923954856 /nfs/dbraw/zinc/95/48/56/923954856.db2.gz KWEUFFPCUOTQOC-QWRGUYRKSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)CN1CCOCC1=O ZINC001392282322 923955674 /nfs/dbraw/zinc/95/56/74/923955674.db2.gz DOFJEGXJTDWRPJ-UHFFFAOYSA-N 1 1 324.385 -1.473 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001392276128 923956801 /nfs/dbraw/zinc/95/68/01/923956801.db2.gz BLKSCZHOFXHTTF-UHFFFAOYSA-N 1 1 322.431 -1.644 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001392276128 923956811 /nfs/dbraw/zinc/95/68/11/923956811.db2.gz BLKSCZHOFXHTTF-UHFFFAOYSA-N 1 1 322.431 -1.644 20 0 DAADMO COCCn1nc(C(=O)N(C)CC[N@@H+](C)CCO)ccc1=O ZINC001392292354 923957042 /nfs/dbraw/zinc/95/70/42/923957042.db2.gz GKIASZKRKQJHSL-UHFFFAOYSA-N 1 1 312.370 -1.114 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN(C)C(=O)COC ZINC001392278254 923957519 /nfs/dbraw/zinc/95/75/19/923957519.db2.gz HFGUKCDOBANUIS-LLVKDONJSA-N 1 1 316.402 -1.384 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CN(C)C(=O)COC ZINC001392278254 923957506 /nfs/dbraw/zinc/95/75/06/923957506.db2.gz HFGUKCDOBANUIS-LLVKDONJSA-N 1 1 316.402 -1.384 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@H]1CNC(=O)N1 ZINC001392300736 923959605 /nfs/dbraw/zinc/95/96/05/923959605.db2.gz ORMSCNXPUOQKTM-WDEREUQCSA-N 1 1 321.385 -1.163 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C(C)C ZINC001392340597 923962455 /nfs/dbraw/zinc/96/24/55/923962455.db2.gz KXHIYHYUQJOSGV-LLVKDONJSA-N 1 1 312.374 -1.438 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)CCNC(N)=O ZINC001392323340 923962609 /nfs/dbraw/zinc/96/26/09/923962609.db2.gz WLEIDFOWILBOEM-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)n1C1CC1 ZINC001392341339 923964741 /nfs/dbraw/zinc/96/47/41/923964741.db2.gz LMZKHZVBECZLPM-GFCCVEGCSA-N 1 1 324.385 -1.376 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CNC(C)=O)[nH]1 ZINC001392347646 923965175 /nfs/dbraw/zinc/96/51/75/923965175.db2.gz YKKYJIFRZLGCIN-WCBMZHEXSA-N 1 1 312.374 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccccc1O ZINC001392346109 923965493 /nfs/dbraw/zinc/96/54/93/923965493.db2.gz GKXNVDTYUDYEGX-SECBINFHSA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001392344805 923966009 /nfs/dbraw/zinc/96/60/09/923966009.db2.gz GQFJTHCGFZMVGP-SECBINFHSA-N 1 1 311.346 -2.601 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)nn1 ZINC001392350694 923968965 /nfs/dbraw/zinc/96/89/65/923968965.db2.gz JTNSFWIBUSGZMX-GFCCVEGCSA-N 1 1 324.385 -1.513 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392351837 923970320 /nfs/dbraw/zinc/97/03/20/923970320.db2.gz HUAKYCLXMOWORG-NXEZZACHSA-N 1 1 317.411 -1.396 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001392358088 923971729 /nfs/dbraw/zinc/97/17/29/923971729.db2.gz DFHKDROHNJDTJW-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cn1 ZINC001392357098 923972417 /nfs/dbraw/zinc/97/24/17/923972417.db2.gz JIPSFYXASMYUES-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001392359581 923973179 /nfs/dbraw/zinc/97/31/79/923973179.db2.gz BFMLCKZRKYEZMZ-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001392364495 923975832 /nfs/dbraw/zinc/97/58/32/923975832.db2.gz LJSCBMFWEGQBNU-NEPJUHHUSA-N 1 1 312.374 -2.288 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392363053 923976066 /nfs/dbraw/zinc/97/60/66/923976066.db2.gz JPYBUKNKMLPUGT-VIFPVBQESA-N 1 1 303.326 -1.271 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001392362505 923976664 /nfs/dbraw/zinc/97/66/64/923976664.db2.gz DVVOMUJWLCIKTB-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001392365897 923978897 /nfs/dbraw/zinc/97/88/97/923978897.db2.gz KXUCLTOXZLZSHX-DTWKUNHWSA-N 1 1 312.330 -2.270 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001392367310 923979130 /nfs/dbraw/zinc/97/91/30/923979130.db2.gz RSTHCUFUNXFMTN-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)cn2)nn1 ZINC001392364992 923979348 /nfs/dbraw/zinc/97/93/48/923979348.db2.gz IEZDSSZADPDRGZ-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392366908 923980270 /nfs/dbraw/zinc/98/02/70/923980270.db2.gz QQLKKTAWJZQJDD-DTWKUNHWSA-N 1 1 313.362 -2.136 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001392366331 923980292 /nfs/dbraw/zinc/98/02/92/923980292.db2.gz GEMLTNJMDILJJM-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1O ZINC001392365417 923980481 /nfs/dbraw/zinc/98/04/81/923980481.db2.gz VRKNOPMOMDEVMQ-SNVBAGLBSA-N 1 1 310.354 -1.008 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nncn2C)n1 ZINC001392368843 923981080 /nfs/dbraw/zinc/98/10/80/923981080.db2.gz IZFSHPJXQMHWMW-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001392370671 923981753 /nfs/dbraw/zinc/98/17/53/923981753.db2.gz ZYBOKDNAFZNZRQ-DTWKUNHWSA-N 1 1 312.330 -2.027 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001392370673 923982144 /nfs/dbraw/zinc/98/21/44/923982144.db2.gz ZYBOKDNAFZNZRQ-RKDXNWHRSA-N 1 1 312.330 -2.027 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nncn2C)n1 ZINC001392368849 923982572 /nfs/dbraw/zinc/98/25/72/923982572.db2.gz IZFSHPJXQMHWMW-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)c1C ZINC001392368010 923983355 /nfs/dbraw/zinc/98/33/55/923983355.db2.gz UMOVNDCWMYUZDL-ZJUUUORDSA-N 1 1 322.373 -1.008 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392370826 923983690 /nfs/dbraw/zinc/98/36/90/923983690.db2.gz ANRRRFKSVUDLIG-PWSUYJOCSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)nc1 ZINC001392371896 923985639 /nfs/dbraw/zinc/98/56/39/923985639.db2.gz FYDNAWLFKVPQLK-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)nc1 ZINC001392371901 923986607 /nfs/dbraw/zinc/98/66/07/923986607.db2.gz FYDNAWLFKVPQLK-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCNC2=O)[nH]1 ZINC001392374885 923987034 /nfs/dbraw/zinc/98/70/34/923987034.db2.gz MWVSYSFODOHONJ-VHSXEESVSA-N 1 1 310.358 -1.794 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001392377868 923988003 /nfs/dbraw/zinc/98/80/03/923988003.db2.gz UNYVYIXHPWLYHU-SNVBAGLBSA-N 1 1 308.346 -1.949 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001392376691 923988066 /nfs/dbraw/zinc/98/80/66/923988066.db2.gz OQCSOQQKMSPWMF-ZJUUUORDSA-N 1 1 314.346 -2.418 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)ncn1 ZINC001392375976 923988458 /nfs/dbraw/zinc/98/84/58/923988458.db2.gz NIDCGCNGJFATIW-SECBINFHSA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncn2C)n[nH]1 ZINC001392377560 923989155 /nfs/dbraw/zinc/98/91/55/923989155.db2.gz SJALPXFFEJIEKM-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001392376686 923989195 /nfs/dbraw/zinc/98/91/95/923989195.db2.gz OQCSOQQKMSPWMF-UWVGGRQHSA-N 1 1 314.346 -2.418 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001392378620 923990530 /nfs/dbraw/zinc/99/05/30/923990530.db2.gz KONSBKJLDNLSHK-JTQLQIEISA-N 1 1 310.358 -1.719 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001392379510 923991668 /nfs/dbraw/zinc/99/16/68/923991668.db2.gz NIWWTILKENVFQP-LLVKDONJSA-N 1 1 322.373 -1.939 20 0 DAADMO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001392380222 923991824 /nfs/dbraw/zinc/99/18/24/923991824.db2.gz GTRXQJNFNUQJFR-QJPTWQEYSA-N 1 1 319.369 -1.091 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001392379295 923992254 /nfs/dbraw/zinc/99/22/54/923992254.db2.gz VFOUOIKDPOCQCN-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001392380532 923992707 /nfs/dbraw/zinc/99/27/07/923992707.db2.gz HZACEMKNWPMFAB-WDEREUQCSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnc[nH]c2=O)n1 ZINC001392379967 923993328 /nfs/dbraw/zinc/99/33/28/923993328.db2.gz GFOLFCDXQMTTJR-SECBINFHSA-N 1 1 307.314 -1.809 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392384321 923995179 /nfs/dbraw/zinc/99/51/79/923995179.db2.gz VRHSPHCNPDIUMX-SSDOTTSWSA-N 1 1 302.360 -1.966 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001392382539 923995318 /nfs/dbraw/zinc/99/53/18/923995318.db2.gz KHNDJWOKKAJKFL-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)CC1=O ZINC001392382848 923995611 /nfs/dbraw/zinc/99/56/11/923995611.db2.gz SNVFCRAFYBYBEU-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cncn1C ZINC001392382368 923996366 /nfs/dbraw/zinc/99/63/66/923996366.db2.gz CRTVRLLQVIZALI-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cncn1C)c1nncn1C ZINC001392386761 923998189 /nfs/dbraw/zinc/99/81/89/923998189.db2.gz KTNATIYNHXDAIP-VHSXEESVSA-N 1 1 307.358 -1.010 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001392386569 923998250 /nfs/dbraw/zinc/99/82/50/923998250.db2.gz MCAKKHXXRCVREI-QWRGUYRKSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392386139 923998876 /nfs/dbraw/zinc/99/88/76/923998876.db2.gz KSKCZJFSBFMJRZ-SNVBAGLBSA-N 1 1 320.357 -1.378 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1C ZINC001392387840 923999094 /nfs/dbraw/zinc/99/90/94/923999094.db2.gz AQCFOXSHYSHVMK-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCCC(=O)N2)[nH]1 ZINC001392385701 924000232 /nfs/dbraw/zinc/00/02/32/924000232.db2.gz IZBILEORGFLEGK-GHMZBOCLSA-N 1 1 324.385 -1.261 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389780 924001692 /nfs/dbraw/zinc/00/16/92/924001692.db2.gz OZIIKRYTVAUBJB-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)n2C)nn1 ZINC001392390774 924002548 /nfs/dbraw/zinc/00/25/48/924002548.db2.gz LRZJFEQZSXBGRT-JTQLQIEISA-N 1 1 323.357 -1.382 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001392391768 924003945 /nfs/dbraw/zinc/00/39/45/924003945.db2.gz RCEBBWTVKRCFLE-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cnc2n1CCOC2 ZINC001392392927 924005409 /nfs/dbraw/zinc/00/54/09/924005409.db2.gz YPEILCHTENWXLM-SNVBAGLBSA-N 1 1 322.325 -1.323 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)[nH]1 ZINC001392394018 924005877 /nfs/dbraw/zinc/00/58/77/924005877.db2.gz OYNSJOYMRFORGX-QMTHXVAHSA-N 1 1 324.385 -1.404 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2ncnn2C)C1 ZINC001392401558 924012073 /nfs/dbraw/zinc/01/20/73/924012073.db2.gz MDUMNSAOZXBQSC-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001392403197 924012195 /nfs/dbraw/zinc/01/21/95/924012195.db2.gz TXHZHPAMBMMBPQ-VHSXEESVSA-N 1 1 312.374 -1.581 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001392402812 924013313 /nfs/dbraw/zinc/01/33/13/924013313.db2.gz QAXWLEHLGZOUDB-QWRGUYRKSA-N 1 1 313.358 -1.141 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)n1C ZINC001392403795 924014016 /nfs/dbraw/zinc/01/40/16/924014016.db2.gz NCPGKFFKLYDEIO-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001392413357 924018977 /nfs/dbraw/zinc/01/89/77/924018977.db2.gz RPNUFKRRARDEBJ-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001392410326 924019132 /nfs/dbraw/zinc/01/91/32/924019132.db2.gz OXFICXQLYVIFKY-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001392410326 924019147 /nfs/dbraw/zinc/01/91/47/924019147.db2.gz OXFICXQLYVIFKY-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001392410345 924020787 /nfs/dbraw/zinc/02/07/87/924020787.db2.gz OXFICXQLYVIFKY-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001392410345 924020799 /nfs/dbraw/zinc/02/07/99/924020799.db2.gz OXFICXQLYVIFKY-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC1CCCC1 ZINC001392412537 924021561 /nfs/dbraw/zinc/02/15/61/924021561.db2.gz WQOFTCODEJWKAY-KOLCDFICSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC1CCCC1 ZINC001392412537 924021571 /nfs/dbraw/zinc/02/15/71/924021571.db2.gz WQOFTCODEJWKAY-KOLCDFICSA-N 1 1 324.385 -1.068 20 0 DAADMO Cn1nnnc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392417049 924022805 /nfs/dbraw/zinc/02/28/05/924022805.db2.gz BXOXBXVFJHNLKD-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001392417749 924023891 /nfs/dbraw/zinc/02/38/91/924023891.db2.gz CUMVVGJNHRGRCV-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001392427796 924027599 /nfs/dbraw/zinc/02/75/99/924027599.db2.gz VOIZLOIKDQZQLM-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392432666 924031182 /nfs/dbraw/zinc/03/11/82/924031182.db2.gz VFCKZABMYFEXSE-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)N(C)C ZINC001392431482 924031296 /nfs/dbraw/zinc/03/12/96/924031296.db2.gz WPLUOXGITZSXNR-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001392487155 924035807 /nfs/dbraw/zinc/03/58/07/924035807.db2.gz KJFNUPAASVWRSC-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC001392482843 924036105 /nfs/dbraw/zinc/03/61/05/924036105.db2.gz VHPVPNOYEQSUNO-SECBINFHSA-N 1 1 310.358 -1.434 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392491938 924038972 /nfs/dbraw/zinc/03/89/72/924038972.db2.gz OHQKDLDPTBWMEA-SNVBAGLBSA-N 1 1 310.358 -1.562 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C(C)(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392506066 924039417 /nfs/dbraw/zinc/03/94/17/924039417.db2.gz LKDPCSFHHVORKV-BDAKNGLRSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001392492868 924039655 /nfs/dbraw/zinc/03/96/55/924039655.db2.gz CYYAUTPKUVWBCI-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001392493690 924041123 /nfs/dbraw/zinc/04/11/23/924041123.db2.gz UFKUECHSCZAWGE-SECBINFHSA-N 1 1 322.373 -1.002 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cnn(C)n1 ZINC001392511048 924042700 /nfs/dbraw/zinc/04/27/00/924042700.db2.gz LCWMDSLPUJYHQW-SECBINFHSA-N 1 1 307.362 -1.434 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCOCC1=O ZINC001392569897 924047847 /nfs/dbraw/zinc/04/78/47/924047847.db2.gz XKVAIJWYDUEZKZ-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CN(C)S(C)(=O)=O ZINC001392560199 924048131 /nfs/dbraw/zinc/04/81/31/924048131.db2.gz FZDFLUCUPPXKLL-QMMMGPOBSA-N 1 1 305.360 -1.445 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cc2n(n1)CCO2 ZINC001392569837 924049372 /nfs/dbraw/zinc/04/93/72/924049372.db2.gz XENFTPAYBYKDBL-QMMMGPOBSA-N 1 1 306.330 -1.293 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1c[nH]c(=O)cn1 ZINC001392593960 924052148 /nfs/dbraw/zinc/05/21/48/924052148.db2.gz ZUZSCKCVNHZPKC-YUMQZZPRSA-N 1 1 306.330 -1.238 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CCn1ncn(C)c1=O ZINC001392579681 924053018 /nfs/dbraw/zinc/05/30/18/924053018.db2.gz LVZMESAFFRBYEW-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cn(C)ccc1=O ZINC001392576915 924053204 /nfs/dbraw/zinc/05/32/04/924053204.db2.gz YGVJHJBIUVOSJQ-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCNC(=O)C1 ZINC001392584389 924053349 /nfs/dbraw/zinc/05/33/49/924053349.db2.gz ZETVLRLHNSVQOV-JTQLQIEISA-N 1 1 309.374 -2.159 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001392645030 924058099 /nfs/dbraw/zinc/05/80/99/924058099.db2.gz LFOVPDGUNPCJJD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001392645030 924058111 /nfs/dbraw/zinc/05/81/11/924058111.db2.gz LFOVPDGUNPCJJD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001392644755 924058862 /nfs/dbraw/zinc/05/88/62/924058862.db2.gz WJGXFGIIVDQADX-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001392644755 924058874 /nfs/dbraw/zinc/05/88/74/924058874.db2.gz WJGXFGIIVDQADX-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657878 924061067 /nfs/dbraw/zinc/06/10/67/924061067.db2.gz MDVASCVCVJJDPQ-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001392657878 924061083 /nfs/dbraw/zinc/06/10/83/924061083.db2.gz MDVASCVCVJJDPQ-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653662 924061578 /nfs/dbraw/zinc/06/15/78/924061578.db2.gz GBURQPMPELVVIS-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001392653662 924061586 /nfs/dbraw/zinc/06/15/86/924061586.db2.gz GBURQPMPELVVIS-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648605 924062291 /nfs/dbraw/zinc/06/22/91/924062291.db2.gz UWISWMMBYCTKIB-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648605 924062301 /nfs/dbraw/zinc/06/23/01/924062301.db2.gz UWISWMMBYCTKIB-BDAKNGLRSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)Cn1ncnn1 ZINC001392660744 924062961 /nfs/dbraw/zinc/06/29/61/924062961.db2.gz UYJMYZYFAVMEDQ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001392654277 924063256 /nfs/dbraw/zinc/06/32/56/924063256.db2.gz AQFASVHGNJPMLX-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001392654277 924063266 /nfs/dbraw/zinc/06/32/66/924063266.db2.gz AQFASVHGNJPMLX-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001392653852 924063300 /nfs/dbraw/zinc/06/33/00/924063300.db2.gz HIBVZKNMHZKOFB-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001392653852 924063310 /nfs/dbraw/zinc/06/33/10/924063310.db2.gz HIBVZKNMHZKOFB-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001392678459 924064315 /nfs/dbraw/zinc/06/43/15/924064315.db2.gz IRNAQVFSGAFQJS-JGVFFNPUSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001392678459 924064328 /nfs/dbraw/zinc/06/43/28/924064328.db2.gz IRNAQVFSGAFQJS-JGVFFNPUSA-N 1 1 309.392 -2.650 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392675343 924064359 /nfs/dbraw/zinc/06/43/59/924064359.db2.gz GOTRDLCVZZCQHX-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392675343 924064371 /nfs/dbraw/zinc/06/43/71/924064371.db2.gz GOTRDLCVZZCQHX-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001392680573 924064460 /nfs/dbraw/zinc/06/44/60/924064460.db2.gz NDDYJFWWJMUEDM-DTWKUNHWSA-N 1 1 321.403 -2.635 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001392680573 924064474 /nfs/dbraw/zinc/06/44/74/924064474.db2.gz NDDYJFWWJMUEDM-DTWKUNHWSA-N 1 1 321.403 -2.635 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1COCCN1CC(F)F ZINC001392691612 924064845 /nfs/dbraw/zinc/06/48/45/924064845.db2.gz ZFAATKNJHYXWEW-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1COCCN1CC(F)F ZINC001392691612 924064852 /nfs/dbraw/zinc/06/48/52/924064852.db2.gz ZFAATKNJHYXWEW-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392676745 924065287 /nfs/dbraw/zinc/06/52/87/924065287.db2.gz KAXIOASZVMKEEM-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392676745 924065300 /nfs/dbraw/zinc/06/53/00/924065300.db2.gz KAXIOASZVMKEEM-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001392680575 924065475 /nfs/dbraw/zinc/06/54/75/924065475.db2.gz NDDYJFWWJMUEDM-RKDXNWHRSA-N 1 1 321.403 -2.635 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001392680575 924065490 /nfs/dbraw/zinc/06/54/90/924065490.db2.gz NDDYJFWWJMUEDM-RKDXNWHRSA-N 1 1 321.403 -2.635 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1COCCN1CC(F)F ZINC001392691596 924066305 /nfs/dbraw/zinc/06/63/05/924066305.db2.gz ZFAATKNJHYXWEW-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1COCCN1CC(F)F ZINC001392691596 924066316 /nfs/dbraw/zinc/06/63/16/924066316.db2.gz ZFAATKNJHYXWEW-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001392678464 924067502 /nfs/dbraw/zinc/06/75/02/924067502.db2.gz IRNAQVFSGAFQJS-YUMQZZPRSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001392678464 924067509 /nfs/dbraw/zinc/06/75/09/924067509.db2.gz IRNAQVFSGAFQJS-YUMQZZPRSA-N 1 1 309.392 -2.650 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392673094 924067529 /nfs/dbraw/zinc/06/75/29/924067529.db2.gz OKMXETCJDMYNPD-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001392712321 924068486 /nfs/dbraw/zinc/06/84/86/924068486.db2.gz AQCAUMJQINAOHI-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001392706442 924068681 /nfs/dbraw/zinc/06/86/81/924068681.db2.gz USVYLVVEDASOHI-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001392706442 924068689 /nfs/dbraw/zinc/06/86/89/924068689.db2.gz USVYLVVEDASOHI-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001392694832 924069188 /nfs/dbraw/zinc/06/91/88/924069188.db2.gz ZRBMZHVBNRHQTN-MRVPVSSYSA-N 1 1 319.387 -1.246 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001392706445 924069676 /nfs/dbraw/zinc/06/96/76/924069676.db2.gz USVYLVVEDASOHI-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001392706445 924069683 /nfs/dbraw/zinc/06/96/83/924069683.db2.gz USVYLVVEDASOHI-WPRPVWTQSA-N 1 1 315.374 -2.451 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001392708339 924069865 /nfs/dbraw/zinc/06/98/65/924069865.db2.gz NDSMBTDCDGRTGQ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001392708339 924069880 /nfs/dbraw/zinc/06/98/80/924069880.db2.gz NDSMBTDCDGRTGQ-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)Cn1cncn1 ZINC001392716512 924070175 /nfs/dbraw/zinc/07/01/75/924070175.db2.gz CRKUKLGOPUBTFL-CHWSQXEVSA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392715014 924070265 /nfs/dbraw/zinc/07/02/65/924070265.db2.gz VDOQDWFKYSLAFV-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392715014 924070272 /nfs/dbraw/zinc/07/02/72/924070272.db2.gz VDOQDWFKYSLAFV-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001392708693 924070960 /nfs/dbraw/zinc/07/09/60/924070960.db2.gz UZSFSVYABUCWDP-QWRGUYRKSA-N 1 1 322.369 -1.292 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCCNC1=O ZINC001392729745 924071469 /nfs/dbraw/zinc/07/14/69/924071469.db2.gz CLXFWIBRQPXZTE-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC001392729743 924071639 /nfs/dbraw/zinc/07/16/39/924071639.db2.gz CLXFWIBRQPXZTE-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001392733661 924073155 /nfs/dbraw/zinc/07/31/55/924073155.db2.gz HRZPNHKDZVCZCA-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001392733661 924073174 /nfs/dbraw/zinc/07/31/74/924073174.db2.gz HRZPNHKDZVCZCA-CMPLNLGQSA-N 1 1 309.370 -1.096 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001392788566 924076413 /nfs/dbraw/zinc/07/64/13/924076413.db2.gz LLKSRZWEVSYRKH-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001392788566 924076427 /nfs/dbraw/zinc/07/64/27/924076427.db2.gz LLKSRZWEVSYRKH-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](NC(=O)Cn2ncnn2)C2CC2)n1 ZINC001392775089 924077385 /nfs/dbraw/zinc/07/73/85/924077385.db2.gz RPIPCHKCIATCTM-GFCCVEGCSA-N 1 1 319.373 -1.031 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001392776143 924077581 /nfs/dbraw/zinc/07/75/81/924077581.db2.gz OSZLCNPECUFBBM-ZJUUUORDSA-N 1 1 308.342 -1.092 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001392781505 924078508 /nfs/dbraw/zinc/07/85/08/924078508.db2.gz NGKYAPXFSJOJNP-GUBZILKMSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001392781505 924078521 /nfs/dbraw/zinc/07/85/21/924078521.db2.gz NGKYAPXFSJOJNP-GUBZILKMSA-N 1 1 315.374 -2.005 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001392797580 924080005 /nfs/dbraw/zinc/08/00/05/924080005.db2.gz ZEDDVFDDCIKLAL-VWYCJHECSA-N 1 1 306.370 -1.079 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001392800693 924080649 /nfs/dbraw/zinc/08/06/49/924080649.db2.gz VTXMEDHXWVRYQC-NWDGAFQWSA-N 1 1 321.385 -1.036 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O ZINC001392837845 924082850 /nfs/dbraw/zinc/08/28/50/924082850.db2.gz IZRIUMAVMDEBGB-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@H]1CC[N@@H+]1CCO ZINC001392836134 924082932 /nfs/dbraw/zinc/08/29/32/924082932.db2.gz HVIOESAWMPBRBU-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1CC(=O)NC(N)=O ZINC001392837856 924083764 /nfs/dbraw/zinc/08/37/64/924083764.db2.gz IZRIUMAVMDEBGB-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1[C@@H](C)C(=O)NC(N)=O ZINC001392835228 924083917 /nfs/dbraw/zinc/08/39/17/924083917.db2.gz GBLNWBXUIOXFRS-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001392854264 924085293 /nfs/dbraw/zinc/08/52/93/924085293.db2.gz MDTJGKBSOZWEAA-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392847169 924085386 /nfs/dbraw/zinc/08/53/86/924085386.db2.gz KPPUUDYPXWSJTA-HBNTYKKESA-N 1 1 324.385 -1.055 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1 ZINC001392853959 924085511 /nfs/dbraw/zinc/08/55/11/924085511.db2.gz DRRGHJWEDMQNOC-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1 ZINC001392853959 924085515 /nfs/dbraw/zinc/08/55/15/924085515.db2.gz DRRGHJWEDMQNOC-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CNC(C)=O)C1 ZINC001392855546 924085668 /nfs/dbraw/zinc/08/56/68/924085668.db2.gz URDFDSPSODDLLT-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CNC(C)=O)C1 ZINC001392855546 924085673 /nfs/dbraw/zinc/08/56/73/924085673.db2.gz URDFDSPSODDLLT-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001392854269 924085711 /nfs/dbraw/zinc/08/57/11/924085711.db2.gz MDTJGKBSOZWEAA-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001392842549 924086500 /nfs/dbraw/zinc/08/65/00/924086500.db2.gz QFGSYYUOULSDIV-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001392870020 924088792 /nfs/dbraw/zinc/08/87/92/924088792.db2.gz QPGXRLQQEUGDIV-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001392870017 924089911 /nfs/dbraw/zinc/08/99/11/924089911.db2.gz QPGXRLQQEUGDIV-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)Cn3ncn(C)c3=O)CC2)nn1 ZINC001392919483 924095452 /nfs/dbraw/zinc/09/54/52/924095452.db2.gz MYCRXMUIMUJDQJ-UHFFFAOYSA-N 1 1 320.357 -1.851 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@]3(F)CCOC3)CC2)nc1=O ZINC001392929849 924097237 /nfs/dbraw/zinc/09/72/37/924097237.db2.gz SOWDQECJXFENSU-CYBMUJFWSA-N 1 1 313.333 -1.025 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)NC[C@H]1CCCO1 ZINC001392944478 924098342 /nfs/dbraw/zinc/09/83/42/924098342.db2.gz VLONCQJYEZSLIR-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)NC[C@H]1CCCO1 ZINC001392944478 924098361 /nfs/dbraw/zinc/09/83/61/924098361.db2.gz VLONCQJYEZSLIR-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C)CC1 ZINC001392926162 924099731 /nfs/dbraw/zinc/09/97/31/924099731.db2.gz SDEMAMJRGVRZAA-SNVBAGLBSA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392957910 924102546 /nfs/dbraw/zinc/10/25/46/924102546.db2.gz NABJDJAVWSWHAW-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001392976792 924102588 /nfs/dbraw/zinc/10/25/88/924102588.db2.gz XTHQIBSEDCAIMN-GFCCVEGCSA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001392982798 924102618 /nfs/dbraw/zinc/10/26/18/924102618.db2.gz RTIOMPQOALHTLJ-JSGCOSHPSA-N 1 1 324.385 -1.395 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392984022 924104571 /nfs/dbraw/zinc/10/45/71/924104571.db2.gz WCUQVODMVOTKAV-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392986533 924104779 /nfs/dbraw/zinc/10/47/79/924104779.db2.gz ILYBGAPRNXOSLQ-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001392996208 924104801 /nfs/dbraw/zinc/10/48/01/924104801.db2.gz REVPHZRIJCIOSN-CYBMUJFWSA-N 1 1 312.414 -1.062 20 0 DAADMO CCN(C)C(=O)CN1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001392996208 924104811 /nfs/dbraw/zinc/10/48/11/924104811.db2.gz REVPHZRIJCIOSN-CYBMUJFWSA-N 1 1 312.414 -1.062 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001392988921 924105256 /nfs/dbraw/zinc/10/52/56/924105256.db2.gz KWEYYWLSVVBCIU-CYBMUJFWSA-N 1 1 319.427 -1.158 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001392999278 924105715 /nfs/dbraw/zinc/10/57/15/924105715.db2.gz VSJXKROTZKGUTH-NSHDSACASA-N 1 1 302.375 -1.545 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393009345 924108232 /nfs/dbraw/zinc/10/82/32/924108232.db2.gz FMQPXFRLOGQTPD-MWLCHTKSSA-N 1 1 311.386 -1.193 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001393010053 924108385 /nfs/dbraw/zinc/10/83/85/924108385.db2.gz ITGRURCZPKJBPK-YPMHNXCESA-N 1 1 323.397 -1.102 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001393024560 924109728 /nfs/dbraw/zinc/10/97/28/924109728.db2.gz AXZFZDPCWDQTBY-KOLCDFICSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001393036315 924111401 /nfs/dbraw/zinc/11/14/01/924111401.db2.gz MBUBQXBPDPIKMM-UWVGGRQHSA-N 1 1 324.389 -1.392 20 0 DAADMO Cn1cc(C(=O)NC2(C)CC[NH+](CC(=O)NC(N)=O)CC2)nn1 ZINC001393065423 924113499 /nfs/dbraw/zinc/11/34/99/924113499.db2.gz UQQLSSGTIKNKEI-UHFFFAOYSA-N 1 1 323.357 -1.406 20 0 DAADMO CC1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[NH+](CC(N)=O)CC1 ZINC001393065520 924113795 /nfs/dbraw/zinc/11/37/95/924113795.db2.gz CERZUZXSCMCIJQ-UHFFFAOYSA-N 1 1 323.353 -1.595 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393096143 924116130 /nfs/dbraw/zinc/11/61/30/924116130.db2.gz KZUZEBQQTQGLMC-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393096143 924116141 /nfs/dbraw/zinc/11/61/41/924116141.db2.gz KZUZEBQQTQGLMC-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cccn2)C1 ZINC001393095683 924117050 /nfs/dbraw/zinc/11/70/50/924117050.db2.gz KDYGZLNGLJSXPG-CQSZACIVSA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cccn2)C1 ZINC001393095683 924117056 /nfs/dbraw/zinc/11/70/56/924117056.db2.gz KDYGZLNGLJSXPG-CQSZACIVSA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001393101140 924117389 /nfs/dbraw/zinc/11/73/89/924117389.db2.gz FKINYUQHBFFNRJ-CYBMUJFWSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001393101140 924117392 /nfs/dbraw/zinc/11/73/92/924117392.db2.gz FKINYUQHBFFNRJ-CYBMUJFWSA-N 1 1 310.358 -2.092 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001393118275 924119273 /nfs/dbraw/zinc/11/92/73/924119273.db2.gz JIZDGFXICMEYNG-LLVKDONJSA-N 1 1 308.404 -2.045 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393121241 924119415 /nfs/dbraw/zinc/11/94/15/924119415.db2.gz LDZJVWVWRKIKIR-ZDUSSCGKSA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393121241 924119421 /nfs/dbraw/zinc/11/94/21/924119421.db2.gz LDZJVWVWRKIKIR-ZDUSSCGKSA-N 1 1 310.358 -1.602 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117041 924120040 /nfs/dbraw/zinc/12/00/40/924120040.db2.gz AANYHIBJAIATFF-IINYFYTJSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117041 924120045 /nfs/dbraw/zinc/12/00/45/924120045.db2.gz AANYHIBJAIATFF-IINYFYTJSA-N 1 1 324.385 -1.214 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1)C(N)=O ZINC001393119446 924120107 /nfs/dbraw/zinc/12/01/07/924120107.db2.gz LMPRWNRTSZBJGS-SMDDNHRTSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001393120394 924120374 /nfs/dbraw/zinc/12/03/74/924120374.db2.gz QWHATTSJOZIGMG-MFKMUULPSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393123584 924120513 /nfs/dbraw/zinc/12/05/13/924120513.db2.gz MEAFRICVEGEXEA-AWEZNQCLSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393123584 924120521 /nfs/dbraw/zinc/12/05/21/924120521.db2.gz MEAFRICVEGEXEA-AWEZNQCLSA-N 1 1 311.386 -1.142 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](CCO)C1 ZINC001393198587 924123937 /nfs/dbraw/zinc/12/39/37/924123937.db2.gz DUIYNGWIAHXBIK-GFCCVEGCSA-N 1 1 322.431 -1.749 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001393231602 924125056 /nfs/dbraw/zinc/12/50/56/924125056.db2.gz GQNROHDJFDQUPV-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001393236663 924125379 /nfs/dbraw/zinc/12/53/79/924125379.db2.gz CPMVEMLMMBIYRD-UFBFGSQYSA-N 1 1 302.331 -2.231 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001393236663 924125389 /nfs/dbraw/zinc/12/53/89/924125389.db2.gz CPMVEMLMMBIYRD-UFBFGSQYSA-N 1 1 302.331 -2.231 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nc2C)C1 ZINC001393236125 924125457 /nfs/dbraw/zinc/12/54/57/924125457.db2.gz IFONWYPKYNZINU-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nc2C)C1 ZINC001393236125 924125466 /nfs/dbraw/zinc/12/54/66/924125466.db2.gz IFONWYPKYNZINU-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001393236658 924125923 /nfs/dbraw/zinc/12/59/23/924125923.db2.gz CPMVEMLMMBIYRD-PELKAZGASA-N 1 1 302.331 -2.231 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001393236658 924125935 /nfs/dbraw/zinc/12/59/35/924125935.db2.gz CPMVEMLMMBIYRD-PELKAZGASA-N 1 1 302.331 -2.231 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393237205 924126087 /nfs/dbraw/zinc/12/60/87/924126087.db2.gz JENPCXLLVNXLNP-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393237205 924126096 /nfs/dbraw/zinc/12/60/96/924126096.db2.gz JENPCXLLVNXLNP-RISCZKNCSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001393236241 924126196 /nfs/dbraw/zinc/12/61/96/924126196.db2.gz CXSPUHWEEKTTPI-GXTWGEPZSA-N 1 1 324.385 -1.205 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001393236985 924127301 /nfs/dbraw/zinc/12/73/01/924127301.db2.gz JENPCXLLVNXLNP-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001393236985 924127316 /nfs/dbraw/zinc/12/73/16/924127316.db2.gz JENPCXLLVNXLNP-BXUZGUMPSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001393236242 924127423 /nfs/dbraw/zinc/12/74/23/924127423.db2.gz CXSPUHWEEKTTPI-JSGCOSHPSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1)NC1CC1 ZINC001393235883 924127511 /nfs/dbraw/zinc/12/75/11/924127511.db2.gz HAWOFMGESFWTLZ-XHDPSFHLSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1)NC1CC1 ZINC001393235883 924127530 /nfs/dbraw/zinc/12/75/30/924127530.db2.gz HAWOFMGESFWTLZ-XHDPSFHLSA-N 1 1 311.382 -1.146 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C)nn2C)C1 ZINC001393240119 924128859 /nfs/dbraw/zinc/12/88/59/924128859.db2.gz USWRQVWPIMYBOV-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)nn2C)C1 ZINC001393240119 924128863 /nfs/dbraw/zinc/12/88/63/924128863.db2.gz USWRQVWPIMYBOV-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393243866 924129063 /nfs/dbraw/zinc/12/90/63/924129063.db2.gz YMALSYSWYMPJTD-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001393243866 924129071 /nfs/dbraw/zinc/12/90/71/924129071.db2.gz YMALSYSWYMPJTD-YGRLFVJLSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(C)OCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393239521 924129261 /nfs/dbraw/zinc/12/92/61/924129261.db2.gz TWWFMPZTRXTHOG-CYBMUJFWSA-N 1 1 316.358 -1.841 20 0 DAADMO CC(C)OCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393239521 924129266 /nfs/dbraw/zinc/12/92/66/924129266.db2.gz TWWFMPZTRXTHOG-CYBMUJFWSA-N 1 1 316.358 -1.841 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393240930 924129387 /nfs/dbraw/zinc/12/93/87/924129387.db2.gz LTRWAFFHXGDGOU-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001393243641 924129407 /nfs/dbraw/zinc/12/94/07/924129407.db2.gz XTUONTUEGVZXGC-SMDDNHRTSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393240928 924129631 /nfs/dbraw/zinc/12/96/31/924129631.db2.gz LTRWAFFHXGDGOU-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001393244195 924129818 /nfs/dbraw/zinc/12/98/18/924129818.db2.gz USGFSBIIYHPEMU-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001393244195 924129831 /nfs/dbraw/zinc/12/98/31/924129831.db2.gz USGFSBIIYHPEMU-SMDDNHRTSA-N 1 1 307.354 -1.525 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)on1 ZINC001393243244 924130577 /nfs/dbraw/zinc/13/05/77/924130577.db2.gz BUUMBVHFLNZFFI-OQPBUACISA-N 1 1 312.326 -1.276 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)on1 ZINC001393243244 924130592 /nfs/dbraw/zinc/13/05/92/924130592.db2.gz BUUMBVHFLNZFFI-OQPBUACISA-N 1 1 312.326 -1.276 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cnn(C)c2)C1 ZINC001393238462 924130785 /nfs/dbraw/zinc/13/07/85/924130785.db2.gz PEXQLPYLSPAJIM-AWEZNQCLSA-N 1 1 309.370 -1.391 20 0 DAADMO CS[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393238558 924131201 /nfs/dbraw/zinc/13/12/01/924131201.db2.gz RPRYFHWYFGHYNX-PRHODGIISA-N 1 1 318.399 -1.514 20 0 DAADMO CS[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393238558 924131205 /nfs/dbraw/zinc/13/12/05/924131205.db2.gz RPRYFHWYFGHYNX-PRHODGIISA-N 1 1 318.399 -1.514 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001393245241 924132255 /nfs/dbraw/zinc/13/22/55/924132255.db2.gz ITTSCOBRSZVZPH-ZDUSSCGKSA-N 1 1 310.358 -2.085 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001393245241 924132264 /nfs/dbraw/zinc/13/22/64/924132264.db2.gz ITTSCOBRSZVZPH-ZDUSSCGKSA-N 1 1 310.358 -2.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393247349 924132743 /nfs/dbraw/zinc/13/27/43/924132743.db2.gz BOWIKOYERHQIDR-IINYFYTJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393247349 924132750 /nfs/dbraw/zinc/13/27/50/924132750.db2.gz BOWIKOYERHQIDR-IINYFYTJSA-N 1 1 322.369 -1.788 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393246494 924133115 /nfs/dbraw/zinc/13/31/15/924133115.db2.gz ZUIQGPWDAIFLMR-JSGCOSHPSA-N 1 1 312.370 -1.406 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001393246573 924133714 /nfs/dbraw/zinc/13/37/14/924133714.db2.gz KXSZJSJISRELFW-OAHLLOKOSA-N 1 1 311.382 -1.026 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001393246573 924133723 /nfs/dbraw/zinc/13/37/23/924133723.db2.gz KXSZJSJISRELFW-OAHLLOKOSA-N 1 1 311.382 -1.026 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393245850 924133791 /nfs/dbraw/zinc/13/37/91/924133791.db2.gz ACNKCUXOMCBGJT-FZMZJTMJSA-N 1 1 323.353 -1.419 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393245850 924133798 /nfs/dbraw/zinc/13/37/98/924133798.db2.gz ACNKCUXOMCBGJT-FZMZJTMJSA-N 1 1 323.353 -1.419 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001393246571 924133924 /nfs/dbraw/zinc/13/39/24/924133924.db2.gz KXSZJSJISRELFW-HNNXBMFYSA-N 1 1 311.382 -1.026 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2=CCOCC2)C1 ZINC001393246571 924133932 /nfs/dbraw/zinc/13/39/32/924133932.db2.gz KXSZJSJISRELFW-HNNXBMFYSA-N 1 1 311.382 -1.026 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001393255504 924135475 /nfs/dbraw/zinc/13/54/75/924135475.db2.gz RVACKVXVOKDRIK-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001393255504 924135492 /nfs/dbraw/zinc/13/54/92/924135492.db2.gz RVACKVXVOKDRIK-RISCZKNCSA-N 1 1 307.354 -1.525 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393250878 924136076 /nfs/dbraw/zinc/13/60/76/924136076.db2.gz IRJIHPHTENSXSP-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393255247 924136857 /nfs/dbraw/zinc/13/68/57/924136857.db2.gz PYGXUNIRLISGSK-ZDUSSCGKSA-N 1 1 305.350 -1.386 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393255247 924136874 /nfs/dbraw/zinc/13/68/74/924136874.db2.gz PYGXUNIRLISGSK-ZDUSSCGKSA-N 1 1 305.350 -1.386 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001393253842 924137179 /nfs/dbraw/zinc/13/71/79/924137179.db2.gz GQTAJDBNRCWDPG-ZDUSSCGKSA-N 1 1 318.349 -1.255 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001393253842 924137186 /nfs/dbraw/zinc/13/71/86/924137186.db2.gz GQTAJDBNRCWDPG-ZDUSSCGKSA-N 1 1 318.349 -1.255 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255315 924137261 /nfs/dbraw/zinc/13/72/61/924137261.db2.gz ZFVLUCFAWUNDJP-XPTSAGLGSA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001393255315 924137268 /nfs/dbraw/zinc/13/72/68/924137268.db2.gz ZFVLUCFAWUNDJP-XPTSAGLGSA-N 1 1 323.353 -2.179 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(C)ncn2C)C1 ZINC001393250062 924137643 /nfs/dbraw/zinc/13/76/43/924137643.db2.gz LDJMUSWQTFSMIV-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c(C)ncn2C)C1 ZINC001393250062 924137647 /nfs/dbraw/zinc/13/76/47/924137647.db2.gz LDJMUSWQTFSMIV-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001393253303 924137655 /nfs/dbraw/zinc/13/76/55/924137655.db2.gz NFZQWKBANQYNIK-SMDDNHRTSA-N 1 1 316.402 -1.107 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001393249562 924137796 /nfs/dbraw/zinc/13/77/96/924137796.db2.gz HRJSFMODDJMARR-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001393249562 924137803 /nfs/dbraw/zinc/13/78/03/924137803.db2.gz HRJSFMODDJMARR-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001393251729 924137949 /nfs/dbraw/zinc/13/79/49/924137949.db2.gz UICWYNYRTKKKFM-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001393251729 924137952 /nfs/dbraw/zinc/13/79/52/924137952.db2.gz UICWYNYRTKKKFM-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393253194 924138285 /nfs/dbraw/zinc/13/82/85/924138285.db2.gz YFYUQNZZJBAGEQ-ZDUSSCGKSA-N 1 1 310.358 -1.662 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001393251372 924138391 /nfs/dbraw/zinc/13/83/91/924138391.db2.gz NZDINAWOLCQWDO-CQSZACIVSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001393251372 924138407 /nfs/dbraw/zinc/13/84/07/924138407.db2.gz NZDINAWOLCQWDO-CQSZACIVSA-N 1 1 324.381 -1.076 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001393257714 924139607 /nfs/dbraw/zinc/13/96/07/924139607.db2.gz HOYANRFJXGCNGW-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001393257714 924139621 /nfs/dbraw/zinc/13/96/21/924139621.db2.gz HOYANRFJXGCNGW-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257533 924140282 /nfs/dbraw/zinc/14/02/82/924140282.db2.gz VXWDABXBCZLOEL-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257533 924140290 /nfs/dbraw/zinc/14/02/90/924140290.db2.gz VXWDABXBCZLOEL-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393255833 924140472 /nfs/dbraw/zinc/14/04/72/924140472.db2.gz QRLXDPMAFJBMIU-YGRLFVJLSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001393255833 924140482 /nfs/dbraw/zinc/14/04/82/924140482.db2.gz QRLXDPMAFJBMIU-YGRLFVJLSA-N 1 1 312.370 -2.236 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001393259668 924140646 /nfs/dbraw/zinc/14/06/46/924140646.db2.gz GVEQSCQHEFPFCW-CYBMUJFWSA-N 1 1 320.357 -1.120 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001393262013 924140722 /nfs/dbraw/zinc/14/07/22/924140722.db2.gz VRTTXTQZJUITFP-GFCCVEGCSA-N 1 1 322.431 -1.751 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001393256486 924140799 /nfs/dbraw/zinc/14/07/99/924140799.db2.gz LUJFGWZNSKBBQR-YMTOWFKASA-N 1 1 311.338 -1.074 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)co1 ZINC001393261828 924141645 /nfs/dbraw/zinc/14/16/45/924141645.db2.gz UODNJQLXEOZWEQ-CQSZACIVSA-N 1 1 311.338 -1.073 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nn1C ZINC001393256429 924141762 /nfs/dbraw/zinc/14/17/62/924141762.db2.gz FUJOEOJDKMAIOS-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nn1C ZINC001393256429 924141766 /nfs/dbraw/zinc/14/17/66/924141766.db2.gz FUJOEOJDKMAIOS-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO CN(C)C(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393263737 924143832 /nfs/dbraw/zinc/14/38/32/924143832.db2.gz PFGYTSMJULPUJZ-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001393268940 924143910 /nfs/dbraw/zinc/14/39/10/924143910.db2.gz BXQZXHOUCJIPGI-HNNXBMFYSA-N 1 1 324.381 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2CC3(CC3)C2)C1 ZINC001393268940 924143918 /nfs/dbraw/zinc/14/39/18/924143918.db2.gz BXQZXHOUCJIPGI-HNNXBMFYSA-N 1 1 324.381 -1.076 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393272007 924143971 /nfs/dbraw/zinc/14/39/71/924143971.db2.gz HVLVQVCVZFUTJT-CQSZACIVSA-N 1 1 323.353 -1.927 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393272007 924143978 /nfs/dbraw/zinc/14/39/78/924143978.db2.gz HVLVQVCVZFUTJT-CQSZACIVSA-N 1 1 323.353 -1.927 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1csnn1 ZINC001393265307 924144844 /nfs/dbraw/zinc/14/48/44/924144844.db2.gz RZJVWMZPHJZAFV-JOYOIKCWSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1csnn1 ZINC001393265307 924144852 /nfs/dbraw/zinc/14/48/52/924144852.db2.gz RZJVWMZPHJZAFV-JOYOIKCWSA-N 1 1 311.367 -1.407 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393270260 924144888 /nfs/dbraw/zinc/14/48/88/924144888.db2.gz DFPBSWVCZSDKFX-NOZJJQNGSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270260 924144895 /nfs/dbraw/zinc/14/48/95/924144895.db2.gz DFPBSWVCZSDKFX-NOZJJQNGSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270260 924144905 /nfs/dbraw/zinc/14/49/05/924144905.db2.gz DFPBSWVCZSDKFX-NOZJJQNGSA-N 1 1 316.333 -1.277 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393272000 924145024 /nfs/dbraw/zinc/14/50/24/924145024.db2.gz HVLVQVCVZFUTJT-AWEZNQCLSA-N 1 1 323.353 -1.927 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001393272000 924145031 /nfs/dbraw/zinc/14/50/31/924145031.db2.gz HVLVQVCVZFUTJT-AWEZNQCLSA-N 1 1 323.353 -1.927 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393266748 924145188 /nfs/dbraw/zinc/14/51/88/924145188.db2.gz VZELMZUYQPXIRX-ZANVPECISA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393266748 924145199 /nfs/dbraw/zinc/14/51/99/924145199.db2.gz VZELMZUYQPXIRX-ZANVPECISA-N 1 1 313.358 -2.691 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1)NC1CC1 ZINC001393277439 924147490 /nfs/dbraw/zinc/14/74/90/924147490.db2.gz LILFLALKDQSNNX-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1)NC1CC1 ZINC001393277439 924147502 /nfs/dbraw/zinc/14/75/02/924147502.db2.gz LILFLALKDQSNNX-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393273200 924148007 /nfs/dbraw/zinc/14/80/07/924148007.db2.gz HZTGYWUJSLQTNE-CYBMUJFWSA-N 1 1 313.333 -1.149 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393273200 924148013 /nfs/dbraw/zinc/14/80/13/924148013.db2.gz HZTGYWUJSLQTNE-CYBMUJFWSA-N 1 1 313.333 -1.149 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1CNC(=O)N1 ZINC001393274902 924148395 /nfs/dbraw/zinc/14/83/95/924148395.db2.gz KMDIBTWZAULULB-FZMZJTMJSA-N 1 1 322.369 -1.883 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393277693 924148459 /nfs/dbraw/zinc/14/84/59/924148459.db2.gz HHABFYIRPGCKMM-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393277693 924148463 /nfs/dbraw/zinc/14/84/63/924148463.db2.gz HHABFYIRPGCKMM-ZDUSSCGKSA-N 1 1 322.427 -1.253 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001393277245 924148571 /nfs/dbraw/zinc/14/85/71/924148571.db2.gz APWBINCGWWRMMH-YGRLFVJLSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274135 924149125 /nfs/dbraw/zinc/14/91/25/924149125.db2.gz HYTSFUYHDJMJEO-YMTOWFKASA-N 1 1 323.353 -2.179 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001393274135 924149132 /nfs/dbraw/zinc/14/91/32/924149132.db2.gz HYTSFUYHDJMJEO-YMTOWFKASA-N 1 1 323.353 -2.179 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001393274635 924149701 /nfs/dbraw/zinc/14/97/01/924149701.db2.gz IMTQXTPFJCQWSF-GFCCVEGCSA-N 1 1 317.296 -1.001 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001393274635 924149712 /nfs/dbraw/zinc/14/97/12/924149712.db2.gz IMTQXTPFJCQWSF-GFCCVEGCSA-N 1 1 317.296 -1.001 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001393279393 924152160 /nfs/dbraw/zinc/15/21/60/924152160.db2.gz ITXWUYITCQIPBI-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001393279393 924152168 /nfs/dbraw/zinc/15/21/68/924152168.db2.gz ITXWUYITCQIPBI-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001393279147 924152275 /nfs/dbraw/zinc/15/22/75/924152275.db2.gz OFRPOMPGUJKGSN-BXUZGUMPSA-N 1 1 310.354 -1.350 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001393282651 924152298 /nfs/dbraw/zinc/15/22/98/924152298.db2.gz PAEBEAPCHVDKSF-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393282651 924152309 /nfs/dbraw/zinc/15/23/09/924152309.db2.gz PAEBEAPCHVDKSF-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO C[C@H](Oc1cccnc1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393279490 924152660 /nfs/dbraw/zinc/15/26/60/924152660.db2.gz SMCLECOVXFYAAX-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](Oc1cccnc1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393279490 924152671 /nfs/dbraw/zinc/15/26/71/924152671.db2.gz SMCLECOVXFYAAX-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393280035 924152769 /nfs/dbraw/zinc/15/27/69/924152769.db2.gz UGEWWVHATAIKLP-DOMZBBRYSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnon1 ZINC001393280540 924153103 /nfs/dbraw/zinc/15/31/03/924153103.db2.gz QHQSFMJMXABHEL-GFCCVEGCSA-N 1 1 307.314 -1.472 20 0 DAADMO CCn1nc(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H](C)O)C2)ccc1=O ZINC001393280678 924153264 /nfs/dbraw/zinc/15/32/64/924153264.db2.gz QWSLKURUJSZVGK-IAQYHMDHSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC001393280991 924153417 /nfs/dbraw/zinc/15/34/17/924153417.db2.gz XBCLORQFPNOTCM-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC001393280991 924153429 /nfs/dbraw/zinc/15/34/29/924153429.db2.gz XBCLORQFPNOTCM-HNNXBMFYSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1CCCS1(=O)=O ZINC001393283388 924153568 /nfs/dbraw/zinc/15/35/68/924153568.db2.gz QTBBBMJGYNVIKW-CMPLNLGQSA-N 1 1 306.384 -1.891 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCCS1(=O)=O ZINC001393283388 924153577 /nfs/dbraw/zinc/15/35/77/924153577.db2.gz QTBBBMJGYNVIKW-CMPLNLGQSA-N 1 1 306.384 -1.891 20 0 DAADMO CC[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283304 924153670 /nfs/dbraw/zinc/15/36/70/924153670.db2.gz YJUAPLLKYOZBEX-SMDDNHRTSA-N 1 1 300.403 -1.245 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001393287302 924155378 /nfs/dbraw/zinc/15/53/78/924155378.db2.gz WZFWBPANFKDARL-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(Cn1ccnc1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001393288690 924156392 /nfs/dbraw/zinc/15/63/92/924156392.db2.gz DWENEJKLNASJQI-IUODEOHRSA-N 1 1 321.381 -1.285 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001393287298 924156445 /nfs/dbraw/zinc/15/64/45/924156445.db2.gz WZFWBPANFKDARL-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289883 924157977 /nfs/dbraw/zinc/15/79/77/924157977.db2.gz KGTYQTBYTHITFT-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001393289883 924157989 /nfs/dbraw/zinc/15/79/89/924157989.db2.gz KGTYQTBYTHITFT-IAQYHMDHSA-N 1 1 323.397 -1.221 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001393293941 924158381 /nfs/dbraw/zinc/15/83/81/924158381.db2.gz RXQBLLDVYXKBJB-ZDUSSCGKSA-N 1 1 319.427 -1.159 20 0 DAADMO CCN1CC[C@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001393304701 924163368 /nfs/dbraw/zinc/16/33/68/924163368.db2.gz QTAAEMPQTHWESA-OLZOCXBDSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1nccc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001393304071 924163967 /nfs/dbraw/zinc/16/39/67/924163967.db2.gz MFBTZXVBEBNUNB-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1nccc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001393304071 924163978 /nfs/dbraw/zinc/16/39/78/924163978.db2.gz MFBTZXVBEBNUNB-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001393303688 924164653 /nfs/dbraw/zinc/16/46/53/924164653.db2.gz KRDLGXHLWFBEMY-WDEREUQCSA-N 1 1 312.370 -2.632 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@H]3CCNC3=O)C2)C1 ZINC001393303688 924164659 /nfs/dbraw/zinc/16/46/59/924164659.db2.gz KRDLGXHLWFBEMY-WDEREUQCSA-N 1 1 312.370 -2.632 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001393313503 924169350 /nfs/dbraw/zinc/16/93/50/924169350.db2.gz CYUTUGUPFLZZIC-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001393317516 924171744 /nfs/dbraw/zinc/17/17/44/924171744.db2.gz SRDLPSUESSJUET-UHFFFAOYSA-N 1 1 305.400 -1.501 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001393316653 924171797 /nfs/dbraw/zinc/17/17/97/924171797.db2.gz MPEGIAALPDSDOH-RYUDHWBXSA-N 1 1 312.414 -1.104 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001393319707 924174400 /nfs/dbraw/zinc/17/44/00/924174400.db2.gz ZATCMTLBMIIBBQ-NSHDSACASA-N 1 1 323.401 -1.643 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001393324923 924175978 /nfs/dbraw/zinc/17/59/78/924175978.db2.gz JZUDSZQVLGKOQF-NSHDSACASA-N 1 1 307.354 -1.063 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001393346455 924184212 /nfs/dbraw/zinc/18/42/12/924184212.db2.gz BUWNUECYCNAECH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@]1(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)CCC(=O)N1 ZINC001393348384 924186516 /nfs/dbraw/zinc/18/65/16/924186516.db2.gz YPIDHXXVEPDJPY-FZMZJTMJSA-N 1 1 311.382 -1.146 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC001393349567 924187563 /nfs/dbraw/zinc/18/75/63/924187563.db2.gz INQGETZFDLXAKB-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC001393357631 924188692 /nfs/dbraw/zinc/18/86/92/924188692.db2.gz VFMFRDLVIMVFLK-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001393376748 924192637 /nfs/dbraw/zinc/19/26/37/924192637.db2.gz LMVWPJATTOHFKY-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393360669 924193024 /nfs/dbraw/zinc/19/30/24/924193024.db2.gz SIZGIUBAZVFVSB-LLVKDONJSA-N 1 1 300.403 -1.376 20 0 DAADMO C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001393376750 924193133 /nfs/dbraw/zinc/19/31/33/924193133.db2.gz LMVWPJATTOHFKY-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001393382634 924195581 /nfs/dbraw/zinc/19/55/81/924195581.db2.gz DINYUZRFVKMDDR-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001393413517 924197669 /nfs/dbraw/zinc/19/76/69/924197669.db2.gz LIKMGNJDPVBTFU-GARJFASQSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CO1 ZINC001393410518 924197715 /nfs/dbraw/zinc/19/77/15/924197715.db2.gz LWGBZWPIMAVQLO-FIQHERPVSA-N 1 1 324.381 -1.004 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001393404119 924198061 /nfs/dbraw/zinc/19/80/61/924198061.db2.gz NHYXFIZUUMCCDU-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CO1 ZINC001393410526 924198480 /nfs/dbraw/zinc/19/84/80/924198480.db2.gz LWGBZWPIMAVQLO-WHOHXGKFSA-N 1 1 324.381 -1.004 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]2C1 ZINC001393413526 924198602 /nfs/dbraw/zinc/19/86/02/924198602.db2.gz LIKMGNJDPVBTFU-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001393412383 924198737 /nfs/dbraw/zinc/19/87/37/924198737.db2.gz JBHPWROQIVEXKE-TUAOUCFPSA-N 1 1 309.370 -1.174 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001393418783 924199020 /nfs/dbraw/zinc/19/90/20/924199020.db2.gz OWRDAZGSBZELGJ-AXFHLTTASA-N 1 1 309.370 -1.806 20 0 DAADMO CC(=O)N[C@@]1(CO)CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001393427078 924200195 /nfs/dbraw/zinc/20/01/95/924200195.db2.gz XJTXZKCCPUIXJE-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO CC(=O)N[C@@]1(CO)CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001393427078 924200203 /nfs/dbraw/zinc/20/02/03/924200203.db2.gz XJTXZKCCPUIXJE-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393428819 924200588 /nfs/dbraw/zinc/20/05/88/924200588.db2.gz NMUGOEDLAYMQMP-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432551 924201111 /nfs/dbraw/zinc/20/11/11/924201111.db2.gz YCBUOXQJQYUWDK-FZMZJTMJSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432551 924201127 /nfs/dbraw/zinc/20/11/27/924201127.db2.gz YCBUOXQJQYUWDK-FZMZJTMJSA-N 1 1 314.386 -1.671 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCN1CCC([NH2+]CCO)CC1 ZINC001393427498 924201949 /nfs/dbraw/zinc/20/19/49/924201949.db2.gz KOAYPODJZATRGN-UHFFFAOYSA-N 1 1 310.402 -1.100 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCN1CCC([NH2+]CCO)CC1 ZINC001393427498 924201962 /nfs/dbraw/zinc/20/19/62/924201962.db2.gz KOAYPODJZATRGN-UHFFFAOYSA-N 1 1 310.402 -1.100 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427022 924202423 /nfs/dbraw/zinc/20/24/23/924202423.db2.gz KGAYUIVBNLOVGW-JSGCOSHPSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432555 924203526 /nfs/dbraw/zinc/20/35/26/924203526.db2.gz YCBUOXQJQYUWDK-SMDDNHRTSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432555 924203541 /nfs/dbraw/zinc/20/35/41/924203541.db2.gz YCBUOXQJQYUWDK-SMDDNHRTSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432554 924203712 /nfs/dbraw/zinc/20/37/12/924203712.db2.gz YCBUOXQJQYUWDK-RISCZKNCSA-N 1 1 314.386 -1.671 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001393432554 924203723 /nfs/dbraw/zinc/20/37/23/924203723.db2.gz YCBUOXQJQYUWDK-RISCZKNCSA-N 1 1 314.386 -1.671 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CNC(=O)NC ZINC001393454829 924207060 /nfs/dbraw/zinc/20/70/60/924207060.db2.gz HZRLHDRYYJWGIF-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)Cn2cnnn2)[nH]1 ZINC001393458579 924209063 /nfs/dbraw/zinc/20/90/63/924209063.db2.gz GSJVYBAJYFTSOX-VIFPVBQESA-N 1 1 323.361 -1.729 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](C)O ZINC001393462581 924209091 /nfs/dbraw/zinc/20/90/91/924209091.db2.gz LMLHWSWVUTYWDK-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCN1C)C(=O)N(C)C ZINC001393458049 924209795 /nfs/dbraw/zinc/20/97/95/924209795.db2.gz FFZWYDMHJPNJET-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)CS(C)(=O)=O)CCC1 ZINC001393539077 924224892 /nfs/dbraw/zinc/22/48/92/924224892.db2.gz MBNPMLSEQCVOHO-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001393571776 924227537 /nfs/dbraw/zinc/22/75/37/924227537.db2.gz NYROOUFUTFLURI-CABZTGNLSA-N 1 1 311.342 -1.089 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001393574508 924227676 /nfs/dbraw/zinc/22/76/76/924227676.db2.gz PMBNECPMJLSQSW-UWVGGRQHSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001393574513 924227879 /nfs/dbraw/zinc/22/78/79/924227879.db2.gz PMBNECPMJLSQSW-ZJUUUORDSA-N 1 1 310.354 -1.046 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001393576624 924228008 /nfs/dbraw/zinc/22/80/08/924228008.db2.gz GDWZIJZEYVYVJR-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001393571774 924228592 /nfs/dbraw/zinc/22/85/92/924228592.db2.gz NYROOUFUTFLURI-BXKDBHETSA-N 1 1 311.342 -1.089 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001393579083 924231331 /nfs/dbraw/zinc/23/13/31/924231331.db2.gz AAUJHQLNAIYREB-WDEREUQCSA-N 1 1 313.358 -1.829 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393606286 924234158 /nfs/dbraw/zinc/23/41/58/924234158.db2.gz PNRHYXGIVSROTD-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001393602624 924235206 /nfs/dbraw/zinc/23/52/06/924235206.db2.gz UCTLMHPYGIBRRV-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001393591689 924235286 /nfs/dbraw/zinc/23/52/86/924235286.db2.gz SDDLBOUADSNVHW-VIFPVBQESA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001393591689 924235299 /nfs/dbraw/zinc/23/52/99/924235299.db2.gz SDDLBOUADSNVHW-VIFPVBQESA-N 1 1 323.357 -2.081 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001393623889 924236504 /nfs/dbraw/zinc/23/65/04/924236504.db2.gz WDIIYTXMGVUXFU-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001393622162 924236844 /nfs/dbraw/zinc/23/68/44/924236844.db2.gz JBSQQIQCSAWMIV-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CNC(=O)NC ZINC001393621459 924237457 /nfs/dbraw/zinc/23/74/57/924237457.db2.gz HLGNNAQBZZOESP-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001393643461 924238003 /nfs/dbraw/zinc/23/80/03/924238003.db2.gz HTSROGNGAJGVHM-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001393643461 924238014 /nfs/dbraw/zinc/23/80/14/924238014.db2.gz HTSROGNGAJGVHM-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001393629083 924238792 /nfs/dbraw/zinc/23/87/92/924238792.db2.gz FHVSHHJPEUNHDI-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001393701110 924246246 /nfs/dbraw/zinc/24/62/46/924246246.db2.gz HDDLOOQXAPXMBB-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001393701110 924246261 /nfs/dbraw/zinc/24/62/61/924246261.db2.gz HDDLOOQXAPXMBB-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1C ZINC001393753676 924251649 /nfs/dbraw/zinc/25/16/49/924251649.db2.gz YMEHRDZFGODUQS-CBAPKCEASA-N 1 1 323.357 -1.381 20 0 DAADMO O=C(Cn1ncnn1)N1CCC(O)(C[NH2+]Cc2ccon2)CC1 ZINC001393771737 924254722 /nfs/dbraw/zinc/25/47/22/924254722.db2.gz PQSIXWAQTUPKJZ-UHFFFAOYSA-N 1 1 321.341 -1.196 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C1 ZINC001393777123 924254758 /nfs/dbraw/zinc/25/47/58/924254758.db2.gz BBWYDFQJLBQLKP-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@H](C)C1 ZINC001393777121 924256232 /nfs/dbraw/zinc/25/62/32/924256232.db2.gz BBWYDFQJLBQLKP-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001393789258 924257033 /nfs/dbraw/zinc/25/70/33/924257033.db2.gz KERATVQPKGEYDM-SECBINFHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001393789596 924257548 /nfs/dbraw/zinc/25/75/48/924257548.db2.gz KERATVQPKGEYDM-VIFPVBQESA-N 1 1 307.358 -1.317 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001393844900 924260822 /nfs/dbraw/zinc/26/08/22/924260822.db2.gz HLSFCZDICKILQE-AEJSXWLSSA-N 1 1 312.370 -2.075 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1cccnn1 ZINC001393852069 924262642 /nfs/dbraw/zinc/26/26/42/924262642.db2.gz MIPZVBCWERUYLX-LBPRGKRZSA-N 1 1 319.365 -1.078 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2ccnnc2)CC1 ZINC001393848293 924262702 /nfs/dbraw/zinc/26/27/02/924262702.db2.gz XQQCFYXQOAZDMM-UHFFFAOYSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(Cc1c[nH]cn1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001393846023 924264211 /nfs/dbraw/zinc/26/42/11/924264211.db2.gz GXJXLXHJYBAVFE-LBPRGKRZSA-N 1 1 321.381 -1.216 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001393850993 924264652 /nfs/dbraw/zinc/26/46/52/924264652.db2.gz ABJHMNFEZJBTER-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COC ZINC001393866848 924266559 /nfs/dbraw/zinc/26/65/59/924266559.db2.gz CYXMVXAWBFNCSX-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001393976760 924270257 /nfs/dbraw/zinc/27/02/57/924270257.db2.gz BUJMRQLRMNWBEO-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001393957455 924270813 /nfs/dbraw/zinc/27/08/13/924270813.db2.gz XCIJQYLWHANUDP-IUCAKERBSA-N 1 1 315.399 -1.158 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001393967102 924271689 /nfs/dbraw/zinc/27/16/89/924271689.db2.gz WTSFZQQLRQNYLF-UWVGGRQHSA-N 1 1 324.385 -1.207 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047527 924275105 /nfs/dbraw/zinc/27/51/05/924275105.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047527 924275115 /nfs/dbraw/zinc/27/51/15/924275115.db2.gz OATNOQOILTZWQF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001394048416 924275324 /nfs/dbraw/zinc/27/53/24/924275324.db2.gz HLWCNQLYOPMBIB-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394048416 924275334 /nfs/dbraw/zinc/27/53/34/924275334.db2.gz HLWCNQLYOPMBIB-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001394059545 924275421 /nfs/dbraw/zinc/27/54/21/924275421.db2.gz QCYHBOJCPJCRQZ-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001394059545 924275429 /nfs/dbraw/zinc/27/54/29/924275429.db2.gz QCYHBOJCPJCRQZ-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001394037506 924276072 /nfs/dbraw/zinc/27/60/72/924276072.db2.gz RICGUMLJIYOUIQ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001394034773 924276183 /nfs/dbraw/zinc/27/61/83/924276183.db2.gz DYKKYHGYXAHGJC-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001394067740 924277010 /nfs/dbraw/zinc/27/70/10/924277010.db2.gz QQGSXKRIMKGXDT-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001394067740 924277021 /nfs/dbraw/zinc/27/70/21/924277021.db2.gz QQGSXKRIMKGXDT-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)[C@H]1CCNC1=O ZINC001394102611 924279325 /nfs/dbraw/zinc/27/93/25/924279325.db2.gz SZEDTCYCDWFEIF-QWRGUYRKSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)[N@H+](C)CC(N)=O ZINC001394117599 924279415 /nfs/dbraw/zinc/27/94/15/924279415.db2.gz SGPQURYGNSSRAH-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)[N@@H+](C)CC(N)=O ZINC001394117599 924279421 /nfs/dbraw/zinc/27/94/21/924279421.db2.gz SGPQURYGNSSRAH-MRVPVSSYSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001394100982 924279459 /nfs/dbraw/zinc/27/94/59/924279459.db2.gz NWFOSKHRTKOROW-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001394100982 924279467 /nfs/dbraw/zinc/27/94/67/924279467.db2.gz NWFOSKHRTKOROW-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CC(=O)NC(N)=O ZINC001394121191 924279547 /nfs/dbraw/zinc/27/95/47/924279547.db2.gz FURKHUHMESRKLT-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)Cc1ccnn1C ZINC001394098397 924280161 /nfs/dbraw/zinc/28/01/61/924280161.db2.gz JFORDICPHFRSBJ-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)Cc1ccnn1C ZINC001394098397 924280171 /nfs/dbraw/zinc/28/01/71/924280171.db2.gz JFORDICPHFRSBJ-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[N@H+](C)CC(N)=O ZINC001394103508 924280669 /nfs/dbraw/zinc/28/06/69/924280669.db2.gz OZGXFYQFAKDMPC-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)[N@@H+](C)CC(N)=O ZINC001394103508 924280676 /nfs/dbraw/zinc/28/06/76/924280676.db2.gz OZGXFYQFAKDMPC-NXEZZACHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394106427 924280893 /nfs/dbraw/zinc/28/08/93/924280893.db2.gz XPAUFBJAAKBMSB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc2ncccn2n1)[N@H+](C)CC(N)=O ZINC001394139817 924282147 /nfs/dbraw/zinc/28/21/47/924282147.db2.gz YWPOXJQEERRXDM-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc2ncccn2n1)[N@@H+](C)CC(N)=O ZINC001394139817 924282156 /nfs/dbraw/zinc/28/21/56/924282156.db2.gz YWPOXJQEERRXDM-VIFPVBQESA-N 1 1 305.342 -1.411 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC001394133122 924282583 /nfs/dbraw/zinc/28/25/83/924282583.db2.gz JDMLEEDCTNKWDT-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001394133122 924282593 /nfs/dbraw/zinc/28/25/93/924282593.db2.gz JDMLEEDCTNKWDT-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)N(C)CC(=O)NC)C1 ZINC001394139992 924283026 /nfs/dbraw/zinc/28/30/26/924283026.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)N(C)CC(=O)NC)C1 ZINC001394139992 924283034 /nfs/dbraw/zinc/28/30/34/924283034.db2.gz JYCLAFGWNLRUOU-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](F)CC[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001394143056 924283107 /nfs/dbraw/zinc/28/31/07/924283107.db2.gz DCIJICJYLMDFBP-SNVBAGLBSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CC[C@H]2CCOC2)C1 ZINC001394143873 924283660 /nfs/dbraw/zinc/28/36/60/924283660.db2.gz INIWDKXWXZPTKZ-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CCn2cncn2)C1 ZINC001394146459 924283894 /nfs/dbraw/zinc/28/38/94/924283894.db2.gz IQFOXFGMOQGCSA-CYBMUJFWSA-N 1 1 322.413 -1.075 20 0 DAADMO COC[C@H](O)CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394156360 924286657 /nfs/dbraw/zinc/28/66/57/924286657.db2.gz KOVFSNKVWLCGIB-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001394152750 924287362 /nfs/dbraw/zinc/28/73/62/924287362.db2.gz NBWHMTCFEKPLLT-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001394167655 924289502 /nfs/dbraw/zinc/28/95/02/924289502.db2.gz XZHREZIINBHVTF-SNVBAGLBSA-N 1 1 305.400 -1.359 20 0 DAADMO COC[C@H](O)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001394167445 924289595 /nfs/dbraw/zinc/28/95/95/924289595.db2.gz WOVRVJIARDACJO-CHWSQXEVSA-N 1 1 315.414 -1.502 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC2(CCO)C[NH+](CC3CC3)C2)O1 ZINC001394160544 924289868 /nfs/dbraw/zinc/28/98/68/924289868.db2.gz SJRHXRHIALACMR-NWDGAFQWSA-N 1 1 311.382 -1.018 20 0 DAADMO C[C@H](O)CN1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001394163589 924290041 /nfs/dbraw/zinc/29/00/41/924290041.db2.gz VVIHCKGBMZSAQH-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001394233496 924290549 /nfs/dbraw/zinc/29/05/49/924290549.db2.gz NYCHPJLAYASKCM-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001394231451 924290769 /nfs/dbraw/zinc/29/07/69/924290769.db2.gz JOUNRAKOHHHCKM-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001394225781 924291080 /nfs/dbraw/zinc/29/10/80/924291080.db2.gz QAEZDBCCALXQJS-ZJUUUORDSA-N 1 1 314.386 -1.551 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001394225767 924291148 /nfs/dbraw/zinc/29/11/48/924291148.db2.gz QAEZDBCCALXQJS-UWVGGRQHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001394231458 924291256 /nfs/dbraw/zinc/29/12/56/924291256.db2.gz JOUNRAKOHHHCKM-ONGXEEELSA-N 1 1 307.358 -1.612 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001394217386 924291394 /nfs/dbraw/zinc/29/13/94/924291394.db2.gz OERCAHLGEUXKLP-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001394225762 924291787 /nfs/dbraw/zinc/29/17/87/924291787.db2.gz QAEZDBCCALXQJS-NXEZZACHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001394213291 924291962 /nfs/dbraw/zinc/29/19/62/924291962.db2.gz IDXDSXIOPXZCDE-UWVGGRQHSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001394253959 924292397 /nfs/dbraw/zinc/29/23/97/924292397.db2.gz OTYQKMKJDGZNLH-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001394244063 924293383 /nfs/dbraw/zinc/29/33/83/924293383.db2.gz NFSITOYVGKKVDU-ZJUUUORDSA-N 1 1 324.385 -1.847 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001394284251 924295083 /nfs/dbraw/zinc/29/50/83/924295083.db2.gz TXMVXRLOAORYGF-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001394284251 924295093 /nfs/dbraw/zinc/29/50/93/924295093.db2.gz TXMVXRLOAORYGF-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC001394286502 924295121 /nfs/dbraw/zinc/29/51/21/924295121.db2.gz NURGHZSEULXDBN-ZJUUUORDSA-N 1 1 312.374 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3=O)[C@@H]2C1 ZINC001394294809 924295259 /nfs/dbraw/zinc/29/52/59/924295259.db2.gz IFVODOUDTLJCSK-KKOKHZNYSA-N 1 1 308.382 -1.223 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001394282053 924295426 /nfs/dbraw/zinc/29/54/26/924295426.db2.gz FLGFZKNDUQSVOY-OCCSQVGLSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001394282053 924295431 /nfs/dbraw/zinc/29/54/31/924295431.db2.gz FLGFZKNDUQSVOY-OCCSQVGLSA-N 1 1 302.371 -1.057 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001394284261 924295445 /nfs/dbraw/zinc/29/54/45/924295445.db2.gz TXMVXRLOAORYGF-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)CCNC(N)=O ZINC001394284261 924295453 /nfs/dbraw/zinc/29/54/53/924295453.db2.gz TXMVXRLOAORYGF-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3csnn3)[C@@H]2C1 ZINC001394319845 924296221 /nfs/dbraw/zinc/29/62/21/924296221.db2.gz VUHNGCFFXZKNSY-WHUPJOBBSA-N 1 1 324.366 -1.359 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001394300768 924296391 /nfs/dbraw/zinc/29/63/91/924296391.db2.gz KUBVYOIOHQGIHS-KKOKHZNYSA-N 1 1 310.358 -2.026 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001394312221 924296602 /nfs/dbraw/zinc/29/66/02/924296602.db2.gz GMMZWVKLNCAVRE-RTCCRHLQSA-N 1 1 320.353 -1.559 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c1=O ZINC001394320528 924296995 /nfs/dbraw/zinc/29/69/95/924296995.db2.gz WCRJBZQIHNKMPL-XYYAHUGASA-N 1 1 323.397 -1.352 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001394302853 924297324 /nfs/dbraw/zinc/29/73/24/924297324.db2.gz SXBPXPYAXMGWPY-CHWFTXMASA-N 1 1 307.358 -1.769 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001394325795 924297962 /nfs/dbraw/zinc/29/79/62/924297962.db2.gz ZJBJJXHDCCYBDU-CHWFTXMASA-N 1 1 309.370 -1.902 20 0 DAADMO NC(=O)NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001394335753 924299027 /nfs/dbraw/zinc/29/90/27/924299027.db2.gz GAURXPGKJFVKHR-CNDDSTCGSA-N 1 1 323.397 -1.429 20 0 DAADMO COCC(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC(N)=O)C[C@]2(C)C1 ZINC001394347566 924299891 /nfs/dbraw/zinc/29/98/91/924299891.db2.gz AXMCXUMODKDHNO-OKILXGFUSA-N 1 1 312.370 -1.002 20 0 DAADMO COCC(=O)N1C[C@]2(C)C[N@@H+](CC(=O)NC(N)=O)C[C@]2(C)C1 ZINC001394347566 924299901 /nfs/dbraw/zinc/29/99/01/924299901.db2.gz AXMCXUMODKDHNO-OKILXGFUSA-N 1 1 312.370 -1.002 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001394352062 924300697 /nfs/dbraw/zinc/30/06/97/924300697.db2.gz YXDHGSBPEQKXFX-CNDDSTCGSA-N 1 1 306.370 -1.223 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001394352062 924300702 /nfs/dbraw/zinc/30/07/02/924300702.db2.gz YXDHGSBPEQKXFX-CNDDSTCGSA-N 1 1 306.370 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001394352062 924300710 /nfs/dbraw/zinc/30/07/10/924300710.db2.gz YXDHGSBPEQKXFX-CNDDSTCGSA-N 1 1 306.370 -1.223 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001394434957 924302206 /nfs/dbraw/zinc/30/22/06/924302206.db2.gz JNDODSBKKLDLPY-VHSXEESVSA-N 1 1 322.373 -1.782 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001394385641 924302382 /nfs/dbraw/zinc/30/23/82/924302382.db2.gz FKOWSTBMQWYYQH-UHFFFAOYSA-N 1 1 324.345 -2.209 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001394434959 924302627 /nfs/dbraw/zinc/30/26/27/924302627.db2.gz JNDODSBKKLDLPY-ZJUUUORDSA-N 1 1 322.373 -1.782 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cnnn1)c1nncn1C ZINC001394469115 924305182 /nfs/dbraw/zinc/30/51/82/924305182.db2.gz UPMBFHWGFPYQCO-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1snnc1C ZINC001394562233 924305944 /nfs/dbraw/zinc/30/59/44/924305944.db2.gz CSAOWVRMEQPQOD-SECBINFHSA-N 1 1 301.372 -1.451 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001394561165 924306361 /nfs/dbraw/zinc/30/63/61/924306361.db2.gz FWEBKEXMBFTXRV-SECBINFHSA-N 1 1 320.367 -1.104 20 0 DAADMO CC[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001394570387 924311085 /nfs/dbraw/zinc/31/10/85/924311085.db2.gz IUNCINFGMIPLJW-QWRGUYRKSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)Cn1cnnn1 ZINC001394574157 924314181 /nfs/dbraw/zinc/31/41/81/924314181.db2.gz IEKVSEADBJZSOL-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)nn1 ZINC001394579887 924317444 /nfs/dbraw/zinc/31/74/44/924317444.db2.gz LAWORVAUJZEEBT-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COC(=O)N2)o1 ZINC001394579729 924318062 /nfs/dbraw/zinc/31/80/62/924318062.db2.gz KFMRDYLFUVVTCL-NXEZZACHSA-N 1 1 312.326 -1.033 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)o1 ZINC001394579737 924318401 /nfs/dbraw/zinc/31/84/01/924318401.db2.gz KFMRDYLFUVVTCL-ZJUUUORDSA-N 1 1 312.326 -1.033 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1COC(=O)N1 ZINC001394585945 924321352 /nfs/dbraw/zinc/32/13/52/924321352.db2.gz WLHUPEFGOJYHFA-CMPLNLGQSA-N 1 1 323.353 -1.496 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)n1 ZINC001394585600 924321398 /nfs/dbraw/zinc/32/13/98/924321398.db2.gz LSENXHIJITWPHH-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)c2)n[nH]1 ZINC001394585898 924321686 /nfs/dbraw/zinc/32/16/86/924321686.db2.gz NLPUDZSOKQEPGX-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ncc[nH]1)N1CCNC(=O)C1 ZINC001394587587 924323921 /nfs/dbraw/zinc/32/39/21/924323921.db2.gz QAMZJQKCEZXQKQ-VIFPVBQESA-N 1 1 324.341 -2.952 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc(C)[nH]1 ZINC001394586373 924324073 /nfs/dbraw/zinc/32/40/73/924324073.db2.gz OBZCKPXPNLIHCI-SNVBAGLBSA-N 1 1 322.373 -1.466 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(N)=O)n1 ZINC001394589683 924325900 /nfs/dbraw/zinc/32/59/00/924325900.db2.gz UPEYZLKYVBOJMF-ONGXEEELSA-N 1 1 312.374 -1.474 20 0 DAADMO CCn1cc(CC[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)cn1 ZINC001394604595 924333257 /nfs/dbraw/zinc/33/32/57/924333257.db2.gz MQIHYVWJNOQUOG-NSHDSACASA-N 1 1 307.358 -1.056 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)ncn1 ZINC001394606961 924335019 /nfs/dbraw/zinc/33/50/19/924335019.db2.gz NPCZDUDZABYCMW-WCQYABFASA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)o1 ZINC001394608868 924335596 /nfs/dbraw/zinc/33/55/96/924335596.db2.gz PQEVIXTZDKZVSI-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394607815 924336547 /nfs/dbraw/zinc/33/65/47/924336547.db2.gz PBUAUJUBGYOJAL-QWRGUYRKSA-N 1 1 300.403 -1.328 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)ncn1 ZINC001394612417 924338583 /nfs/dbraw/zinc/33/85/83/924338583.db2.gz HOYDIWQGXDOLBH-VXGBXAGGSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001394611164 924338599 /nfs/dbraw/zinc/33/85/99/924338599.db2.gz SMGYUIFQLCJBIC-NSHDSACASA-N 1 1 310.402 -1.134 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001394617910 924341387 /nfs/dbraw/zinc/34/13/87/924341387.db2.gz FFAZSJOFICMARN-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001394620589 924341717 /nfs/dbraw/zinc/34/17/17/924341717.db2.gz KWMROFHVILGVAU-ZJUUUORDSA-N 1 1 324.385 -1.573 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001394617907 924342212 /nfs/dbraw/zinc/34/22/12/924342212.db2.gz FFAZSJOFICMARN-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001394619284 924342422 /nfs/dbraw/zinc/34/24/22/924342422.db2.gz SCDLYUIRCGOGQS-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O)nn1C ZINC001394620836 924342649 /nfs/dbraw/zinc/34/26/49/924342649.db2.gz UZTVSCHKUPSKPM-SKDRFNHKSA-N 1 1 311.386 -1.193 20 0 DAADMO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001394620587 924342698 /nfs/dbraw/zinc/34/26/98/924342698.db2.gz KWMROFHVILGVAU-UWVGGRQHSA-N 1 1 324.385 -1.573 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1 ZINC001394632050 924346531 /nfs/dbraw/zinc/34/65/31/924346531.db2.gz HNVIDWCYUMZVDH-AXFHLTTASA-N 1 1 323.353 -1.827 20 0 DAADMO CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394633792 924347219 /nfs/dbraw/zinc/34/72/19/924347219.db2.gz SNMICDBHUWZTRI-AAEUAGOBSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001394640546 924349437 /nfs/dbraw/zinc/34/94/37/924349437.db2.gz QDCXJFIYEYXNRE-CMPLNLGQSA-N 1 1 321.385 -1.016 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001394645324 924350596 /nfs/dbraw/zinc/35/05/96/924350596.db2.gz VACFOOWMDOMIPL-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001394645324 924350603 /nfs/dbraw/zinc/35/06/03/924350603.db2.gz VACFOOWMDOMIPL-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001394645323 924350837 /nfs/dbraw/zinc/35/08/37/924350837.db2.gz VACFOOWMDOMIPL-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001394645323 924350845 /nfs/dbraw/zinc/35/08/45/924350845.db2.gz VACFOOWMDOMIPL-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CCn2cnnn2)nn1C ZINC001394642263 924351107 /nfs/dbraw/zinc/35/11/07/924351107.db2.gz HKDQPHAFVPNZFU-LBPRGKRZSA-N 1 1 322.373 -1.628 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001394648562 924353595 /nfs/dbraw/zinc/35/35/95/924353595.db2.gz QAVDATZMKRPBPJ-VIFPVBQESA-N 1 1 308.346 -1.775 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)Cn1ccnc1)Nc1ccon1 ZINC001394656794 924356784 /nfs/dbraw/zinc/35/67/84/924356784.db2.gz BWEKQBPCICRTGM-JTQLQIEISA-N 1 1 322.325 -1.424 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001394654495 924357377 /nfs/dbraw/zinc/35/73/77/924357377.db2.gz QZISNPYCIZSZRJ-LLVKDONJSA-N 1 1 307.358 -1.115 20 0 DAADMO Cc1nnc(CN[C@H](CO)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001394654498 924357676 /nfs/dbraw/zinc/35/76/76/924357676.db2.gz QZISNPYCIZSZRJ-NSHDSACASA-N 1 1 307.358 -1.115 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)N1CCC1)[NH+](C)C ZINC001394655246 924358057 /nfs/dbraw/zinc/35/80/57/924358057.db2.gz UXJBVHUSHSRRIF-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)[C@@H]1C ZINC001394662529 924359890 /nfs/dbraw/zinc/35/98/90/924359890.db2.gz NCNURKPSTYKDGZ-BDAKNGLRSA-N 1 1 323.357 -1.239 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C[C@@H]1C ZINC001394677588 924361484 /nfs/dbraw/zinc/36/14/84/924361484.db2.gz GFGYGYJVLDBKOW-VHSXEESVSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CNC(=O)NC)CCC[C@H]12 ZINC001394672079 924361785 /nfs/dbraw/zinc/36/17/85/924361785.db2.gz BBNHCATYYBNQKR-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001394714596 924362924 /nfs/dbraw/zinc/36/29/24/924362924.db2.gz AWDOUIVOQCLTQM-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001394730498 924364488 /nfs/dbraw/zinc/36/44/88/924364488.db2.gz MJPPACCAMPLTLQ-NXEZZACHSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nccn1C)C(=O)CS(C)(=O)=O ZINC001394731567 924366000 /nfs/dbraw/zinc/36/60/00/924366000.db2.gz YKAKYSNJSWNUDC-JTQLQIEISA-N 1 1 318.399 -1.626 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nccn1C)C(=O)CS(C)(=O)=O ZINC001394731571 924366251 /nfs/dbraw/zinc/36/62/51/924366251.db2.gz YKAKYSNJSWNUDC-SNVBAGLBSA-N 1 1 318.399 -1.626 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1COC(=O)N1 ZINC001394731924 924366330 /nfs/dbraw/zinc/36/63/30/924366330.db2.gz AQHVHUDQLHSSEN-VHSXEESVSA-N 1 1 309.326 -1.506 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001394734017 924367283 /nfs/dbraw/zinc/36/72/83/924367283.db2.gz MOXTZCWICSOPCS-WPRPVWTQSA-N 1 1 323.361 -1.730 20 0 DAADMO CN(C[C@@H](O)CNCc1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394732192 924367654 /nfs/dbraw/zinc/36/76/54/924367654.db2.gz RDAIBQMBMLKDDK-QWHCGFSZSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001394733509 924367693 /nfs/dbraw/zinc/36/76/93/924367693.db2.gz VISGSIVGKZIQMD-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001394733507 924367999 /nfs/dbraw/zinc/36/79/99/924367999.db2.gz VISGSIVGKZIQMD-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1nc[nH]n1 ZINC001394738181 924370443 /nfs/dbraw/zinc/37/04/43/924370443.db2.gz FBIQDGYQPYTAKI-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncn1C ZINC001394738865 924371704 /nfs/dbraw/zinc/37/17/04/924371704.db2.gz HVUWCPNKPPVAAU-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001394741639 924371954 /nfs/dbraw/zinc/37/19/54/924371954.db2.gz JTHSACDILRJGBI-SFYZADRCSA-N 1 1 309.334 -1.888 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001394740445 924372495 /nfs/dbraw/zinc/37/24/95/924372495.db2.gz LVYLLBQILGUVSH-NWDGAFQWSA-N 1 1 321.381 -1.136 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncn1C ZINC001394738858 924372551 /nfs/dbraw/zinc/37/25/51/924372551.db2.gz HVUWCPNKPPVAAU-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH]1 ZINC001394748159 924373826 /nfs/dbraw/zinc/37/38/26/924373826.db2.gz QQZRJLKSAFAREV-DCQANWLSSA-N 1 1 309.370 -1.086 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001394752333 924375399 /nfs/dbraw/zinc/37/53/99/924375399.db2.gz CFFWYWMCSCLWDD-NEPJUHHUSA-N 1 1 316.402 -2.151 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001394752795 924375631 /nfs/dbraw/zinc/37/56/31/924375631.db2.gz MIIQFTILGSTNCN-SECBINFHSA-N 1 1 308.346 -1.361 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394751253 924375991 /nfs/dbraw/zinc/37/59/91/924375991.db2.gz YXNKKVVSKJNJFN-AEJSXWLSSA-N 1 1 311.342 -1.592 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001394753408 924376940 /nfs/dbraw/zinc/37/69/40/924376940.db2.gz DJZPRTLDYQIJEF-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001394754725 924377666 /nfs/dbraw/zinc/37/76/66/924377666.db2.gz ACLZXWDYBJSZMW-GXSJLCMTSA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ncc[nH]1 ZINC001394757337 924378908 /nfs/dbraw/zinc/37/89/08/924378908.db2.gz MNVLONDKLHNFQS-NSHDSACASA-N 1 1 307.358 -1.310 20 0 DAADMO CN(C[C@@H](O)CNCc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001394761932 924380328 /nfs/dbraw/zinc/38/03/28/924380328.db2.gz OYJVFJZGSUGXRL-JTQLQIEISA-N 1 1 314.390 -2.031 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1)C(N)=O ZINC001394763952 924380871 /nfs/dbraw/zinc/38/08/71/924380871.db2.gz KVEPSPLRNOWTEE-SCZZXKLOSA-N 1 1 320.353 -1.146 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001394765690 924382375 /nfs/dbraw/zinc/38/23/75/924382375.db2.gz HBVCFCLSWDIOKG-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001394765690 924382382 /nfs/dbraw/zinc/38/23/82/924382382.db2.gz HBVCFCLSWDIOKG-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001394772451 924383314 /nfs/dbraw/zinc/38/33/14/924383314.db2.gz XPMDSCOVBZADPN-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001394764291 924383602 /nfs/dbraw/zinc/38/36/02/924383602.db2.gz NXKFNSUFPMTQER-GFCCVEGCSA-N 1 1 319.369 -1.014 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1)c1nnnn1C ZINC001394767644 924383893 /nfs/dbraw/zinc/38/38/93/924383893.db2.gz ZBOUVEZWSVIMFK-WDEREUQCSA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394765784 924383990 /nfs/dbraw/zinc/38/39/90/924383990.db2.gz HPJIOPXKJPZHCS-WDEREUQCSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394765784 924383999 /nfs/dbraw/zinc/38/39/99/924383999.db2.gz HPJIOPXKJPZHCS-WDEREUQCSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394764875 924384190 /nfs/dbraw/zinc/38/41/90/924384190.db2.gz BVORUQABYKPJNS-GXSJLCMTSA-N 1 1 302.375 -1.910 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394764875 924384199 /nfs/dbraw/zinc/38/41/99/924384199.db2.gz BVORUQABYKPJNS-GXSJLCMTSA-N 1 1 302.375 -1.910 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001394775461 924384878 /nfs/dbraw/zinc/38/48/78/924384878.db2.gz HMWDXISUICZJAS-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001394777229 924384922 /nfs/dbraw/zinc/38/49/22/924384922.db2.gz SBLUJIAIMYSTLA-DGCLKSJQSA-N 1 1 303.403 -1.157 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001394777229 924384924 /nfs/dbraw/zinc/38/49/24/924384924.db2.gz SBLUJIAIMYSTLA-DGCLKSJQSA-N 1 1 303.403 -1.157 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)ncn1 ZINC001394777072 924385066 /nfs/dbraw/zinc/38/50/66/924385066.db2.gz WDRNZLJSIYRKBC-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)ncn1 ZINC001394777072 924385072 /nfs/dbraw/zinc/38/50/72/924385072.db2.gz WDRNZLJSIYRKBC-SECBINFHSA-N 1 1 311.342 -1.665 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001394777063 924385114 /nfs/dbraw/zinc/38/51/14/924385114.db2.gz RUWDDOHYIBEDFT-LLVKDONJSA-N 1 1 317.386 -1.363 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001394777063 924385121 /nfs/dbraw/zinc/38/51/21/924385121.db2.gz RUWDDOHYIBEDFT-LLVKDONJSA-N 1 1 317.386 -1.363 20 0 DAADMO COc1nccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394776716 924385613 /nfs/dbraw/zinc/38/56/13/924385613.db2.gz KOSHQGCRDTZLEA-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO COc1nccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394776716 924385619 /nfs/dbraw/zinc/38/56/19/924385619.db2.gz KOSHQGCRDTZLEA-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001394776067 924385639 /nfs/dbraw/zinc/38/56/39/924385639.db2.gz IFBPABWLCTZZDY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001394776067 924385648 /nfs/dbraw/zinc/38/56/48/924385648.db2.gz IFBPABWLCTZZDY-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001394773003 924385767 /nfs/dbraw/zinc/38/57/67/924385767.db2.gz VELYQIYUXMSBGD-RYUDHWBXSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cn[nH]n1 ZINC001394776035 924385789 /nfs/dbraw/zinc/38/57/89/924385789.db2.gz HRHVAVAJMSQHQF-JTQLQIEISA-N 1 1 308.346 -1.539 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CN(C)S(C)(=O)=O ZINC001394776369 924385936 /nfs/dbraw/zinc/38/59/36/924385936.db2.gz KOFPMEOMZUEYMV-JTQLQIEISA-N 1 1 313.395 -1.402 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CN(C)S(C)(=O)=O ZINC001394776369 924385940 /nfs/dbraw/zinc/38/59/40/924385940.db2.gz KOFPMEOMZUEYMV-JTQLQIEISA-N 1 1 313.395 -1.402 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001394777110 924386021 /nfs/dbraw/zinc/38/60/21/924386021.db2.gz MOTAKYLCJWLJLK-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001394777110 924386028 /nfs/dbraw/zinc/38/60/28/924386028.db2.gz MOTAKYLCJWLJLK-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394773503 924386051 /nfs/dbraw/zinc/38/60/51/924386051.db2.gz PNOHDFGEJBJTJX-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773503 924386067 /nfs/dbraw/zinc/38/60/67/924386067.db2.gz PNOHDFGEJBJTJX-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773503 924386072 /nfs/dbraw/zinc/38/60/72/924386072.db2.gz PNOHDFGEJBJTJX-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2ncccc12 ZINC001394775958 924386172 /nfs/dbraw/zinc/38/61/72/924386172.db2.gz JPHUJEPPSKQEQZ-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2ncccc12 ZINC001394775958 924386175 /nfs/dbraw/zinc/38/61/75/924386175.db2.gz JPHUJEPPSKQEQZ-SNVBAGLBSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2ncccc12 ZINC001394775957 924386180 /nfs/dbraw/zinc/38/61/80/924386180.db2.gz JPHUJEPPSKQEQZ-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2ncccc12 ZINC001394775957 924386185 /nfs/dbraw/zinc/38/61/85/924386185.db2.gz JPHUJEPPSKQEQZ-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001394773617 924386524 /nfs/dbraw/zinc/38/65/24/924386524.db2.gz AAOPWNCGSZSXOJ-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)nn1 ZINC001394776186 924386794 /nfs/dbraw/zinc/38/67/94/924386794.db2.gz MTDHXDCBACRQOD-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cn(C)nn1 ZINC001394776186 924386801 /nfs/dbraw/zinc/38/68/01/924386801.db2.gz MTDHXDCBACRQOD-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774864 924386925 /nfs/dbraw/zinc/38/69/25/924386925.db2.gz BLWUHXHDKCGMAO-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774864 924386934 /nfs/dbraw/zinc/38/69/34/924386934.db2.gz BLWUHXHDKCGMAO-UWVGGRQHSA-N 1 1 312.374 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCNC(=O)CC1 ZINC001394779455 924387823 /nfs/dbraw/zinc/38/78/23/924387823.db2.gz FUCRLXGNFMCKSK-VXGBXAGGSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)COc1cccnc1 ZINC001394785960 924388026 /nfs/dbraw/zinc/38/80/26/924388026.db2.gz OBQDDYOLUSVGQD-LLVKDONJSA-N 1 1 310.354 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)COc1cccnc1 ZINC001394785960 924388028 /nfs/dbraw/zinc/38/80/28/924388028.db2.gz OBQDDYOLUSVGQD-LLVKDONJSA-N 1 1 310.354 -1.303 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780846 924388173 /nfs/dbraw/zinc/38/81/73/924388173.db2.gz FXXUOBVXKXSYGP-OBPIAQAESA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780846 924388180 /nfs/dbraw/zinc/38/81/80/924388180.db2.gz FXXUOBVXKXSYGP-OBPIAQAESA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780840 924388698 /nfs/dbraw/zinc/38/86/98/924388698.db2.gz FXXUOBVXKXSYGP-JZRPKSSGSA-N 1 1 313.398 -1.236 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394780840 924388707 /nfs/dbraw/zinc/38/87/07/924388707.db2.gz FXXUOBVXKXSYGP-JZRPKSSGSA-N 1 1 313.398 -1.236 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCC(=O)NC1=O ZINC001394783475 924388869 /nfs/dbraw/zinc/38/88/69/924388869.db2.gz VEXHUIOVJXRXKB-SNVBAGLBSA-N 1 1 316.358 -2.328 20 0 DAADMO CCCn1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)nn1 ZINC001394780550 924388994 /nfs/dbraw/zinc/38/89/94/924388994.db2.gz LTJGDIJKABUNHJ-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO CCCn1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)nn1 ZINC001394780550 924389001 /nfs/dbraw/zinc/38/90/01/924389001.db2.gz LTJGDIJKABUNHJ-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001394785251 924389632 /nfs/dbraw/zinc/38/96/32/924389632.db2.gz NIHOJEIKZPKZJI-NSHDSACASA-N 1 1 323.353 -1.208 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793025 924390161 /nfs/dbraw/zinc/39/01/61/924390161.db2.gz TZOLZXQXUOKLLO-ZYHUDNBSSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793025 924390170 /nfs/dbraw/zinc/39/01/70/924390170.db2.gz TZOLZXQXUOKLLO-ZYHUDNBSSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793022 924390894 /nfs/dbraw/zinc/39/08/94/924390894.db2.gz TZOLZXQXUOKLLO-JQWIXIFHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c1cnn(C)c1 ZINC001394793022 924390904 /nfs/dbraw/zinc/39/09/04/924390904.db2.gz TZOLZXQXUOKLLO-JQWIXIFHSA-N 1 1 311.386 -1.240 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001394791408 924391556 /nfs/dbraw/zinc/39/15/56/924391556.db2.gz OPBFNLRBOLBRTF-OLZOCXBDSA-N 1 1 303.403 -1.550 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001394791231 924391612 /nfs/dbraw/zinc/39/16/12/924391612.db2.gz NFBHODKJOXZVEN-JTQLQIEISA-N 1 1 313.358 -1.121 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001394791231 924391622 /nfs/dbraw/zinc/39/16/22/924391622.db2.gz NFBHODKJOXZVEN-JTQLQIEISA-N 1 1 313.358 -1.121 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001394788859 924391904 /nfs/dbraw/zinc/39/19/04/924391904.db2.gz FQYSKKRIRJGYBP-NSHDSACASA-N 1 1 312.370 -1.209 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCn1ncn(C)c1=O ZINC001394786797 924392048 /nfs/dbraw/zinc/39/20/48/924392048.db2.gz WWYIJXGZIPAYJD-NSHDSACASA-N 1 1 315.374 -2.285 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001394791376 924392069 /nfs/dbraw/zinc/39/20/69/924392069.db2.gz OIZAHWQLFJHHPY-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001394793006 924392150 /nfs/dbraw/zinc/39/21/50/924392150.db2.gz PPULSSXWTNGSRG-NWDGAFQWSA-N 1 1 324.443 -1.059 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001394793006 924392155 /nfs/dbraw/zinc/39/21/55/924392155.db2.gz PPULSSXWTNGSRG-NWDGAFQWSA-N 1 1 324.443 -1.059 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001394794229 924392189 /nfs/dbraw/zinc/39/21/89/924392189.db2.gz WFEFECOSQLTIKY-ZYHUDNBSSA-N 1 1 324.381 -1.074 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](CCOC)[C@H]2CCNC2=O)nn1 ZINC001394839053 924393726 /nfs/dbraw/zinc/39/37/26/924393726.db2.gz XRCCODGZMGIZNK-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](CCOC)[C@H]2CCNC2=O)nn1 ZINC001394839053 924393734 /nfs/dbraw/zinc/39/37/34/924393734.db2.gz XRCCODGZMGIZNK-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001394810413 924394139 /nfs/dbraw/zinc/39/41/39/924394139.db2.gz XEWZNHPAXUGXAB-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001394810413 924394150 /nfs/dbraw/zinc/39/41/50/924394150.db2.gz XEWZNHPAXUGXAB-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001394810403 924394867 /nfs/dbraw/zinc/39/48/67/924394867.db2.gz XEWZNHPAXUGXAB-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001394810403 924394871 /nfs/dbraw/zinc/39/48/71/924394871.db2.gz XEWZNHPAXUGXAB-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001394969288 924397371 /nfs/dbraw/zinc/39/73/71/924397371.db2.gz KZNTUZKZQNVVSI-GHMZBOCLSA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CN=NC1=O ZINC001395090325 924400863 /nfs/dbraw/zinc/40/08/63/924400863.db2.gz LMQHGOIVBSMXPT-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395064523 924400894 /nfs/dbraw/zinc/40/08/94/924400894.db2.gz ZWMGCRYFHSSBOC-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395124443 924402298 /nfs/dbraw/zinc/40/22/98/924402298.db2.gz FOZRHQCBEKFHQI-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395124443 924402302 /nfs/dbraw/zinc/40/23/02/924402302.db2.gz FOZRHQCBEKFHQI-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395519960 924416747 /nfs/dbraw/zinc/41/67/47/924416747.db2.gz RIUYHTUJONWREK-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395519960 924416750 /nfs/dbraw/zinc/41/67/50/924416750.db2.gz RIUYHTUJONWREK-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395582207 924420161 /nfs/dbraw/zinc/42/01/61/924420161.db2.gz KTAYRXYRGCIIID-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395647257 924424368 /nfs/dbraw/zinc/42/43/68/924424368.db2.gz YQBQJRQRYNUYDP-ZJUUUORDSA-N 1 1 309.374 -1.262 20 0 DAADMO CC(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395686536 924429908 /nfs/dbraw/zinc/42/99/08/924429908.db2.gz PUUJZBDBOKHPMM-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395686536 924429913 /nfs/dbraw/zinc/42/99/13/924429913.db2.gz PUUJZBDBOKHPMM-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395684739 924429975 /nfs/dbraw/zinc/42/99/75/924429975.db2.gz GOBDEAYTRLDVAR-GHMZBOCLSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395686537 924430272 /nfs/dbraw/zinc/43/02/72/924430272.db2.gz PUUJZBDBOKHPMM-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395686537 924430280 /nfs/dbraw/zinc/43/02/80/924430280.db2.gz PUUJZBDBOKHPMM-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698345 924437957 /nfs/dbraw/zinc/43/79/57/924437957.db2.gz ASFOTQWZMXYEJK-ZYHUDNBSSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698345 924437965 /nfs/dbraw/zinc/43/79/65/924437965.db2.gz ASFOTQWZMXYEJK-ZYHUDNBSSA-N 1 1 310.354 -1.448 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001395701751 924439145 /nfs/dbraw/zinc/43/91/45/924439145.db2.gz XHYJOEYSYRWWKF-NWDGAFQWSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001395701755 924439237 /nfs/dbraw/zinc/43/92/37/924439237.db2.gz XHYJOEYSYRWWKF-VXGBXAGGSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001395701728 924439299 /nfs/dbraw/zinc/43/92/99/924439299.db2.gz XHYJOEYSYRWWKF-NEPJUHHUSA-N 1 1 310.354 -1.179 20 0 DAADMO Cn1cccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395701598 924439463 /nfs/dbraw/zinc/43/94/63/924439463.db2.gz MFFGOMLZOCHSPF-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395701598 924439470 /nfs/dbraw/zinc/43/94/70/924439470.db2.gz MFFGOMLZOCHSPF-YPMHNXCESA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001395700506 924439565 /nfs/dbraw/zinc/43/95/65/924439565.db2.gz IHDSIELJFCETEK-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703879 924441222 /nfs/dbraw/zinc/44/12/22/924441222.db2.gz VJPMNAUGRQCWKH-NXEZZACHSA-N 1 1 305.350 -1.342 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)F)C1 ZINC001395703879 924441224 /nfs/dbraw/zinc/44/12/24/924441224.db2.gz VJPMNAUGRQCWKH-NXEZZACHSA-N 1 1 305.350 -1.342 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395707763 924442038 /nfs/dbraw/zinc/44/20/38/924442038.db2.gz MGMBCQLCGRDRJR-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395707763 924442041 /nfs/dbraw/zinc/44/20/41/924442041.db2.gz MGMBCQLCGRDRJR-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO COC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001395709683 924443569 /nfs/dbraw/zinc/44/35/69/924443569.db2.gz MTEYALGDAICOLV-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001395713842 924445212 /nfs/dbraw/zinc/44/52/12/924445212.db2.gz HFMDIAXFWXFLSZ-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395710583 924445578 /nfs/dbraw/zinc/44/55/78/924445578.db2.gz YSVCSLIGCLNAJM-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO Cn1ccc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001395711233 924445922 /nfs/dbraw/zinc/44/59/22/924445922.db2.gz TXYNTLZSQFBRTM-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnnn1C ZINC001395716883 924447378 /nfs/dbraw/zinc/44/73/78/924447378.db2.gz QKAHBDJBABNUBY-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395717796 924448010 /nfs/dbraw/zinc/44/80/10/924448010.db2.gz UFUAEGXZFMZGEK-ZJUUUORDSA-N 1 1 310.358 -1.884 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncn(C)n2)C1 ZINC001395723609 924451822 /nfs/dbraw/zinc/45/18/22/924451822.db2.gz HCDXGSJNIGLVLI-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCNC(N)=O)C1 ZINC001395725248 924451901 /nfs/dbraw/zinc/45/19/01/924451901.db2.gz ADOZJQUDKJWJNX-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001395726233 924451914 /nfs/dbraw/zinc/45/19/14/924451914.db2.gz RDPZNEPPAGNFLE-UWVGGRQHSA-N 1 1 316.358 -1.972 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ncccn2)C1 ZINC001395733831 924455174 /nfs/dbraw/zinc/45/51/74/924455174.db2.gz CYIJVVOGBGYCND-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1csnn1 ZINC001395736710 924455670 /nfs/dbraw/zinc/45/56/70/924455670.db2.gz XZGVZZJVUPMGGE-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ccn(C)n2)C1 ZINC001395739031 924455719 /nfs/dbraw/zinc/45/57/19/924455719.db2.gz SGOJLFVTIFKRNN-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ncc[nH]2)CC[N@H+]1C ZINC001395739397 924456957 /nfs/dbraw/zinc/45/69/57/924456957.db2.gz AMXYXBQZZLWUNU-GMTAPVOTSA-N 1 1 309.370 -1.043 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CNC(N)=O)CC[N@H+]1C ZINC001395744259 924459278 /nfs/dbraw/zinc/45/92/78/924459278.db2.gz QDQITNGTMGIYKJ-OPRDCNLKSA-N 1 1 315.374 -2.412 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ncn(C)n1 ZINC001395744771 924459820 /nfs/dbraw/zinc/45/98/20/924459820.db2.gz QMGIPECBTGGZMR-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001395744358 924459942 /nfs/dbraw/zinc/45/99/42/924459942.db2.gz OSBTXPUBIGUWTK-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001395745886 924460216 /nfs/dbraw/zinc/46/02/16/924460216.db2.gz UHSQOBOCFGWJFE-NSHDSACASA-N 1 1 302.375 -1.944 20 0 DAADMO Cn1nncc1C(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001395749004 924461154 /nfs/dbraw/zinc/46/11/54/924461154.db2.gz QRXBSTBSOMYIDX-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1CCC1 ZINC001395748139 924462091 /nfs/dbraw/zinc/46/20/91/924462091.db2.gz NGDPZHICXUFAHD-SECBINFHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001395758577 924464852 /nfs/dbraw/zinc/46/48/52/924464852.db2.gz ASUNXYQCVQRRMS-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001395762863 924466388 /nfs/dbraw/zinc/46/63/88/924466388.db2.gz QLCYEZFTBCKTDW-MNOVXSKESA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1ccncn1 ZINC001395766249 924467781 /nfs/dbraw/zinc/46/77/81/924467781.db2.gz RWEBMJMXRGYAKX-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001395764356 924467872 /nfs/dbraw/zinc/46/78/72/924467872.db2.gz TXGHGUIRPJWZPG-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001395773728 924469683 /nfs/dbraw/zinc/46/96/83/924469683.db2.gz BTFOXPCUYRYOSD-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001395773714 924470068 /nfs/dbraw/zinc/47/00/68/924470068.db2.gz BTFOXPCUYRYOSD-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395776223 924472592 /nfs/dbraw/zinc/47/25/92/924472592.db2.gz ADTGTZBPSTWSKV-KIJLLGNVSA-N 1 1 311.382 -1.434 20 0 DAADMO CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001395781978 924475281 /nfs/dbraw/zinc/47/52/81/924475281.db2.gz OYNWXRCTDXSYPL-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001395781978 924475288 /nfs/dbraw/zinc/47/52/88/924475288.db2.gz OYNWXRCTDXSYPL-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001395787101 924477268 /nfs/dbraw/zinc/47/72/68/924477268.db2.gz OQDLTNOFQGEAMB-ONGXEEELSA-N 1 1 323.353 -1.929 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001395787090 924477735 /nfs/dbraw/zinc/47/77/35/924477735.db2.gz OQDLTNOFQGEAMB-GXSJLCMTSA-N 1 1 323.353 -1.929 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnon2)C1 ZINC001395790219 924477882 /nfs/dbraw/zinc/47/78/82/924477882.db2.gz GOODTLAPBJYWND-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cccnn1 ZINC001395792511 924479226 /nfs/dbraw/zinc/47/92/26/924479226.db2.gz NWBBIEIHWVUXCT-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001395797172 924480432 /nfs/dbraw/zinc/48/04/32/924480432.db2.gz APTDIYWVJAWDLG-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2n[nH]cc2F)C1 ZINC001395797125 924480640 /nfs/dbraw/zinc/48/06/40/924480640.db2.gz JVCMWSMUHCISFP-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797125 924480648 /nfs/dbraw/zinc/48/06/48/924480648.db2.gz JVCMWSMUHCISFP-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797125 924480654 /nfs/dbraw/zinc/48/06/54/924480654.db2.gz JVCMWSMUHCISFP-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2n[nH]cc2F)C1 ZINC001395797124 924480722 /nfs/dbraw/zinc/48/07/22/924480722.db2.gz JVCMWSMUHCISFP-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797124 924480726 /nfs/dbraw/zinc/48/07/26/924480726.db2.gz JVCMWSMUHCISFP-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2[nH]ncc2F)C1 ZINC001395797124 924480728 /nfs/dbraw/zinc/48/07/28/924480728.db2.gz JVCMWSMUHCISFP-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn(C)nn2)C1 ZINC001395807583 924482210 /nfs/dbraw/zinc/48/22/10/924482210.db2.gz OGWNIIJLUCDLIN-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001395809913 924483315 /nfs/dbraw/zinc/48/33/15/924483315.db2.gz UOHFJNWEOPLEJH-CMPLNLGQSA-N 1 1 309.370 -1.042 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001395811232 924484700 /nfs/dbraw/zinc/48/47/00/924484700.db2.gz XQYCGDIUYTUOQN-VXGBXAGGSA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001395817073 924485746 /nfs/dbraw/zinc/48/57/46/924485746.db2.gz JMKFUCWYEMTZSV-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817073 924485750 /nfs/dbraw/zinc/48/57/50/924485750.db2.gz JMKFUCWYEMTZSV-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817073 924485754 /nfs/dbraw/zinc/48/57/54/924485754.db2.gz JMKFUCWYEMTZSV-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001395818064 924485780 /nfs/dbraw/zinc/48/57/80/924485780.db2.gz NNPAFRNBWRUBIH-RYUDHWBXSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001395826456 924486123 /nfs/dbraw/zinc/48/61/23/924486123.db2.gz NNACJFSAGBVYPX-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)CC[N@@H+]1C ZINC001395826456 924486129 /nfs/dbraw/zinc/48/61/29/924486129.db2.gz NNACJFSAGBVYPX-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)CC[N@H+]1C ZINC001395826456 924486137 /nfs/dbraw/zinc/48/61/37/924486137.db2.gz NNACJFSAGBVYPX-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001395818060 924486309 /nfs/dbraw/zinc/48/63/09/924486309.db2.gz NNPAFRNBWRUBIH-NWDGAFQWSA-N 1 1 307.354 -1.365 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395969509 924492534 /nfs/dbraw/zinc/49/25/34/924492534.db2.gz KHTCDPLNYLLKGK-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395969509 924492538 /nfs/dbraw/zinc/49/25/38/924492538.db2.gz KHTCDPLNYLLKGK-QWRGUYRKSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395969490 924492550 /nfs/dbraw/zinc/49/25/50/924492550.db2.gz KHTCDPLNYLLKGK-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395969490 924492555 /nfs/dbraw/zinc/49/25/55/924492555.db2.gz KHTCDPLNYLLKGK-GHMZBOCLSA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396006768 924498198 /nfs/dbraw/zinc/49/81/98/924498198.db2.gz LSLXEJUUYCDEOS-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396006768 924498203 /nfs/dbraw/zinc/49/82/03/924498203.db2.gz LSLXEJUUYCDEOS-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396006768 924498210 /nfs/dbraw/zinc/49/82/10/924498210.db2.gz LSLXEJUUYCDEOS-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001396021114 924499795 /nfs/dbraw/zinc/49/97/95/924499795.db2.gz WKPSBGVXVSQQPU-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001396035411 924503654 /nfs/dbraw/zinc/50/36/54/924503654.db2.gz PZOWTWLYHSWQTK-ZJUUUORDSA-N 1 1 312.374 -1.306 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001396035411 924503660 /nfs/dbraw/zinc/50/36/60/924503660.db2.gz PZOWTWLYHSWQTK-ZJUUUORDSA-N 1 1 312.374 -1.306 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)COC ZINC001396148820 924509079 /nfs/dbraw/zinc/50/90/79/924509079.db2.gz BCGUMDHJJVZSBU-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)COC ZINC001396148820 924509084 /nfs/dbraw/zinc/50/90/84/924509084.db2.gz BCGUMDHJJVZSBU-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001396146714 924509385 /nfs/dbraw/zinc/50/93/85/924509385.db2.gz LQNZOACBODSKPP-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001396382342 924517314 /nfs/dbraw/zinc/51/73/14/924517314.db2.gz QTHZASCINHLGGX-GHMZBOCLSA-N 1 1 311.342 -1.289 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001396424800 924523150 /nfs/dbraw/zinc/52/31/50/924523150.db2.gz RCDLSJZZQHONCX-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)C1 ZINC001396428853 924523241 /nfs/dbraw/zinc/52/32/41/924523241.db2.gz ACLWSVOIXRDZKZ-GRYCIOLGSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)C1 ZINC001396428853 924523250 /nfs/dbraw/zinc/52/32/50/924523250.db2.gz ACLWSVOIXRDZKZ-GRYCIOLGSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001396434214 924526461 /nfs/dbraw/zinc/52/64/61/924526461.db2.gz KVTISGTWHQANEL-ZJUUUORDSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001396434214 924526466 /nfs/dbraw/zinc/52/64/66/924526466.db2.gz KVTISGTWHQANEL-ZJUUUORDSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001396434214 924526470 /nfs/dbraw/zinc/52/64/70/924526470.db2.gz KVTISGTWHQANEL-ZJUUUORDSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001396434214 924526476 /nfs/dbraw/zinc/52/64/76/924526476.db2.gz KVTISGTWHQANEL-ZJUUUORDSA-N 1 1 324.385 -1.164 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001396434214 924526480 /nfs/dbraw/zinc/52/64/80/924526480.db2.gz KVTISGTWHQANEL-ZJUUUORDSA-N 1 1 324.385 -1.164 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001396472622 924528715 /nfs/dbraw/zinc/52/87/15/924528715.db2.gz BFIYSKZFQDLSKM-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CNC(N)=O ZINC001396598670 924532445 /nfs/dbraw/zinc/53/24/45/924532445.db2.gz VUMZIVVJZPAGEE-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(N)=O ZINC001396690546 924536991 /nfs/dbraw/zinc/53/69/91/924536991.db2.gz VGTLCMPTQRPNQT-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(N)=O ZINC001396690550 924537039 /nfs/dbraw/zinc/53/70/39/924537039.db2.gz VGTLCMPTQRPNQT-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001396747384 924539879 /nfs/dbraw/zinc/53/98/79/924539879.db2.gz WWHBVDWLZBMZDZ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001397029702 924554451 /nfs/dbraw/zinc/55/44/51/924554451.db2.gz VFIQDESEFPQCRC-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001397029699 924554809 /nfs/dbraw/zinc/55/48/09/924554809.db2.gz VFIQDESEFPQCRC-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001397024431 924554940 /nfs/dbraw/zinc/55/49/40/924554940.db2.gz VCBOHDZRARYNSN-NEPJUHHUSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001397029705 924555214 /nfs/dbraw/zinc/55/52/14/924555214.db2.gz VFIQDESEFPQCRC-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001397028496 924555287 /nfs/dbraw/zinc/55/52/87/924555287.db2.gz YDTPNHDKVPYVSD-NWDGAFQWSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001397028506 924555504 /nfs/dbraw/zinc/55/55/04/924555504.db2.gz YDTPNHDKVPYVSD-RYUDHWBXSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001397099803 924556543 /nfs/dbraw/zinc/55/65/43/924556543.db2.gz FHRJPMMBMMVQPX-MGCOHNPYSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001397124287 924558738 /nfs/dbraw/zinc/55/87/38/924558738.db2.gz WODYUDPCVUUUJY-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001397156231 924559830 /nfs/dbraw/zinc/55/98/30/924559830.db2.gz QIQHCBDFNKMCSS-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001397138894 924560249 /nfs/dbraw/zinc/56/02/49/924560249.db2.gz DUEOWSJJOOOSTC-KYZUINATSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001397138894 924560257 /nfs/dbraw/zinc/56/02/57/924560257.db2.gz DUEOWSJJOOOSTC-KYZUINATSA-N 1 1 301.372 -1.053 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001397186129 924563808 /nfs/dbraw/zinc/56/38/08/924563808.db2.gz PQPJKJQPKGSUAZ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001397186129 924563812 /nfs/dbraw/zinc/56/38/12/924563812.db2.gz PQPJKJQPKGSUAZ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO Cn1cncc1CC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397209052 924563960 /nfs/dbraw/zinc/56/39/60/924563960.db2.gz HAJLSIBRGWWXRV-GFCCVEGCSA-N 1 1 323.397 -1.267 20 0 DAADMO Cn1cncc1CC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397209052 924563967 /nfs/dbraw/zinc/56/39/67/924563967.db2.gz HAJLSIBRGWWXRV-GFCCVEGCSA-N 1 1 323.397 -1.267 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)[C@@H]1C ZINC001397237996 924564582 /nfs/dbraw/zinc/56/45/82/924564582.db2.gz CKNYNXKXQVKGIQ-VWYCJHECSA-N 1 1 302.375 -1.498 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001397216929 924565443 /nfs/dbraw/zinc/56/54/43/924565443.db2.gz QUPNSKXIUQENGN-VXGBXAGGSA-N 1 1 312.374 -1.661 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001397237991 924565457 /nfs/dbraw/zinc/56/54/57/924565457.db2.gz CJYFYKCSXLSJOB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001397237991 924565466 /nfs/dbraw/zinc/56/54/66/924565466.db2.gz CJYFYKCSXLSJOB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001397216904 924565939 /nfs/dbraw/zinc/56/59/39/924565939.db2.gz QUPNSKXIUQENGN-NEPJUHHUSA-N 1 1 312.374 -1.661 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001397258632 924567345 /nfs/dbraw/zinc/56/73/45/924567345.db2.gz KPMUFASLUWQABU-BBBLOLIVSA-N 1 1 320.415 -1.751 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001397258632 924567349 /nfs/dbraw/zinc/56/73/49/924567349.db2.gz KPMUFASLUWQABU-BBBLOLIVSA-N 1 1 320.415 -1.751 20 0 DAADMO COC(=O)NCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001397285095 924567520 /nfs/dbraw/zinc/56/75/20/924567520.db2.gz XGMIHHGHMWJQCI-UHFFFAOYSA-N 1 1 316.358 -1.887 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397374259 924572432 /nfs/dbraw/zinc/57/24/32/924572432.db2.gz CEOXNPGIANZJHQ-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CCn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397374259 924572443 /nfs/dbraw/zinc/57/24/43/924572443.db2.gz CEOXNPGIANZJHQ-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397394727 924573994 /nfs/dbraw/zinc/57/39/94/924573994.db2.gz VRIDFWDJCVQSGT-VHSXEESVSA-N 1 1 305.400 -1.396 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001397399826 924574716 /nfs/dbraw/zinc/57/47/16/924574716.db2.gz HRZPNHKDZVCZCA-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001397399826 924574721 /nfs/dbraw/zinc/57/47/21/924574721.db2.gz HRZPNHKDZVCZCA-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397423310 924576833 /nfs/dbraw/zinc/57/68/33/924576833.db2.gz IOKXATKKBUJTQW-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397423310 924576840 /nfs/dbraw/zinc/57/68/40/924576840.db2.gz IOKXATKKBUJTQW-MWLCHTKSSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397447011 924578181 /nfs/dbraw/zinc/57/81/81/924578181.db2.gz FZUKAIUQLCNBJZ-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397432449 924578470 /nfs/dbraw/zinc/57/84/70/924578470.db2.gz XMPBBPZMDAMJHJ-UWVGGRQHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397432449 924578478 /nfs/dbraw/zinc/57/84/78/924578478.db2.gz XMPBBPZMDAMJHJ-UWVGGRQHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001397487568 924581788 /nfs/dbraw/zinc/58/17/88/924581788.db2.gz LKFMZZFQLNYFDJ-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001397501652 924584486 /nfs/dbraw/zinc/58/44/86/924584486.db2.gz DFBAWBWKZSQAKP-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCNC(=O)C1 ZINC001397553140 924588447 /nfs/dbraw/zinc/58/84/47/924588447.db2.gz SLFTUPKWCUYVKQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001397624212 924592625 /nfs/dbraw/zinc/59/26/25/924592625.db2.gz WDBYNUPPYNFCMK-AOOOYVTPSA-N 1 1 305.346 -1.514 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CCCC2)C1 ZINC001397670857 924594640 /nfs/dbraw/zinc/59/46/40/924594640.db2.gz FOJRKIHOCQRMRZ-XYPYZODXSA-N 1 1 311.386 -1.239 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001397677301 924595415 /nfs/dbraw/zinc/59/54/15/924595415.db2.gz PWTVCZCIXHVQAC-MGCOHNPYSA-N 1 1 322.369 -1.108 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001397751109 924598252 /nfs/dbraw/zinc/59/82/52/924598252.db2.gz IGEGECOETUKFDZ-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@H](N(CCO)CC(N)=O)C1 ZINC001397756325 924598272 /nfs/dbraw/zinc/59/82/72/924598272.db2.gz STRUMNCYOXPMLE-ZDUSSCGKSA-N 1 1 323.397 -1.038 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001397770253 924598570 /nfs/dbraw/zinc/59/85/70/924598570.db2.gz OSKJLPGDLSOKTM-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001397770253 924598580 /nfs/dbraw/zinc/59/85/80/924598580.db2.gz OSKJLPGDLSOKTM-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001397757670 924598753 /nfs/dbraw/zinc/59/87/53/924598753.db2.gz AKTHDZPSPYFLFL-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001397757670 924598759 /nfs/dbraw/zinc/59/87/59/924598759.db2.gz AKTHDZPSPYFLFL-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001397767002 924598949 /nfs/dbraw/zinc/59/89/49/924598949.db2.gz ADZYZPBEFLCNKK-LLVKDONJSA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001397767002 924598953 /nfs/dbraw/zinc/59/89/53/924598953.db2.gz ADZYZPBEFLCNKK-LLVKDONJSA-N 1 1 309.370 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)OC)C[C@@H]2C1 ZINC001397761966 924599033 /nfs/dbraw/zinc/59/90/33/924599033.db2.gz BJCHBUSRIYGPTD-MNOVXSKESA-N 1 1 312.370 -1.131 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001397787874 924600492 /nfs/dbraw/zinc/60/04/92/924600492.db2.gz SQWSAGAPEJVYST-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001397787874 924600495 /nfs/dbraw/zinc/60/04/95/924600495.db2.gz SQWSAGAPEJVYST-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397787492 924600918 /nfs/dbraw/zinc/60/09/18/924600918.db2.gz VLQLNCBWSVZDND-WCQYABFASA-N 1 1 301.387 -1.226 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397787492 924600924 /nfs/dbraw/zinc/60/09/24/924600924.db2.gz VLQLNCBWSVZDND-WCQYABFASA-N 1 1 301.387 -1.226 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001397804657 924600958 /nfs/dbraw/zinc/60/09/58/924600958.db2.gz QIPPEVISQGUDBN-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001397804657 924600964 /nfs/dbraw/zinc/60/09/64/924600964.db2.gz QIPPEVISQGUDBN-VWYCJHECSA-N 1 1 311.386 -1.227 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001397864888 924605348 /nfs/dbraw/zinc/60/53/48/924605348.db2.gz QABZBLRUHQFTOV-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397890970 924608073 /nfs/dbraw/zinc/60/80/73/924608073.db2.gz XLIKBRHIRZQXOU-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397890970 924608078 /nfs/dbraw/zinc/60/80/78/924608078.db2.gz XLIKBRHIRZQXOU-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001397907705 924609971 /nfs/dbraw/zinc/60/99/71/924609971.db2.gz FBWUCOFNBYLWLQ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397917740 924611857 /nfs/dbraw/zinc/61/18/57/924611857.db2.gz AUMFNMXWQMBAQG-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CCNC(N)=O)CC[N@H+]1C ZINC001397926171 924612868 /nfs/dbraw/zinc/61/28/68/924612868.db2.gz BVFPDOQBDPJWBG-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001397941498 924615058 /nfs/dbraw/zinc/61/50/58/924615058.db2.gz QRJCUYSZQCSBOO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CNC(=O)NC ZINC001397986103 924618131 /nfs/dbraw/zinc/61/81/31/924618131.db2.gz INSZBWWSTVQONZ-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CNC(N)=O)C1 ZINC001398165692 924628191 /nfs/dbraw/zinc/62/81/91/924628191.db2.gz DHNDJUOJHAIUAH-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001398216495 924629255 /nfs/dbraw/zinc/62/92/55/924629255.db2.gz PVGKXMYFJNORRD-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001398230394 924629323 /nfs/dbraw/zinc/62/93/23/924629323.db2.gz JEVDRKSCSUQMIC-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001398230394 924629324 /nfs/dbraw/zinc/62/93/24/924629324.db2.gz JEVDRKSCSUQMIC-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001398235964 924630313 /nfs/dbraw/zinc/63/03/13/924630313.db2.gz SISWFLFDEHMOFD-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001398235964 924630320 /nfs/dbraw/zinc/63/03/20/924630320.db2.gz SISWFLFDEHMOFD-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001398286001 924634335 /nfs/dbraw/zinc/63/43/35/924634335.db2.gz BCMYRBKQNWGLSQ-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001398286001 924634341 /nfs/dbraw/zinc/63/43/41/924634341.db2.gz BCMYRBKQNWGLSQ-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001398303903 924635887 /nfs/dbraw/zinc/63/58/87/924635887.db2.gz RZPOEPKNUPMBKS-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398297723 924636571 /nfs/dbraw/zinc/63/65/71/924636571.db2.gz FGKCWLQFSSWPLN-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001398297723 924636576 /nfs/dbraw/zinc/63/65/76/924636576.db2.gz FGKCWLQFSSWPLN-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001398320571 924636733 /nfs/dbraw/zinc/63/67/33/924636733.db2.gz CBKUCJLUMVIWNM-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001398320571 924636737 /nfs/dbraw/zinc/63/67/37/924636737.db2.gz CBKUCJLUMVIWNM-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001398319907 924636958 /nfs/dbraw/zinc/63/69/58/924636958.db2.gz BBZXIHUBPQJXSO-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001398319907 924636963 /nfs/dbraw/zinc/63/69/63/924636963.db2.gz BBZXIHUBPQJXSO-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1)C(N)=O ZINC001398337631 924637908 /nfs/dbraw/zinc/63/79/08/924637908.db2.gz QBMQNUJEGWSLTN-MNOVXSKESA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@]1(CC(=O)N[C@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001398346867 924638166 /nfs/dbraw/zinc/63/81/66/924638166.db2.gz QNCRQFADPQFJRP-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338955 924638337 /nfs/dbraw/zinc/63/83/37/924638337.db2.gz ORDQJMNHIKVPEA-NXEZZACHSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338955 924638340 /nfs/dbraw/zinc/63/83/40/924638340.db2.gz ORDQJMNHIKVPEA-NXEZZACHSA-N 1 1 322.369 -1.013 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398328972 924638503 /nfs/dbraw/zinc/63/85/03/924638503.db2.gz KOAHLEHWNTWHDG-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398328972 924638512 /nfs/dbraw/zinc/63/85/12/924638512.db2.gz KOAHLEHWNTWHDG-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001398326150 924638773 /nfs/dbraw/zinc/63/87/73/924638773.db2.gz HHDGWOYRONJIMI-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001398326150 924638779 /nfs/dbraw/zinc/63/87/79/924638779.db2.gz HHDGWOYRONJIMI-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398334212 924638944 /nfs/dbraw/zinc/63/89/44/924638944.db2.gz PPDKBBWIXPCOGI-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001398411521 924640724 /nfs/dbraw/zinc/64/07/24/924640724.db2.gz RZCCMCNMZPBYOE-NSHDSACASA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)c1N ZINC001398387215 924641222 /nfs/dbraw/zinc/64/12/22/924641222.db2.gz PZSKFYMDIIZSNI-SNVBAGLBSA-N 1 1 319.373 -1.176 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001398437749 924641972 /nfs/dbraw/zinc/64/19/72/924641972.db2.gz KPKHLTIFNWXXSC-WCBMZHEXSA-N 1 1 309.374 -1.294 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001398436917 924643084 /nfs/dbraw/zinc/64/30/84/924643084.db2.gz OMMPESGWJOOXAA-GHMZBOCLSA-N 1 1 321.385 -1.036 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001398458035 924643120 /nfs/dbraw/zinc/64/31/20/924643120.db2.gz SJGKUNICGIEJTI-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001398530535 924646286 /nfs/dbraw/zinc/64/62/86/924646286.db2.gz AQNMLTNQJPGVGM-IWSPIJDZSA-N 1 1 310.362 -1.563 20 0 DAADMO CO[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCOC1 ZINC001398555571 924649791 /nfs/dbraw/zinc/64/97/91/924649791.db2.gz DRMKOLQGYXLZHV-UZWSLXQKSA-N 1 1 324.385 -1.002 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001398569701 924651343 /nfs/dbraw/zinc/65/13/43/924651343.db2.gz IEZAFSMXDCGUPT-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001398583957 924652853 /nfs/dbraw/zinc/65/28/53/924652853.db2.gz WTDOPCSGCABDSL-JTQLQIEISA-N 1 1 309.370 -1.392 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001398583958 924653095 /nfs/dbraw/zinc/65/30/95/924653095.db2.gz WTDOPCSGCABDSL-SNVBAGLBSA-N 1 1 309.370 -1.392 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CCNC(=O)NC)C1 ZINC001398598493 924655219 /nfs/dbraw/zinc/65/52/19/924655219.db2.gz PLIJHYAULSIBLR-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398606084 924655522 /nfs/dbraw/zinc/65/55/22/924655522.db2.gz ZDMGMQNYASMSLX-AOOOYVTPSA-N 1 1 309.374 -1.129 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)Cn2ncnn2)C1)C1CCC1 ZINC001398626713 924656774 /nfs/dbraw/zinc/65/67/74/924656774.db2.gz PECUJFGEKRPQCS-UHFFFAOYSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001398618289 924657438 /nfs/dbraw/zinc/65/74/38/924657438.db2.gz VCDJRVBIZSNOLP-DTORHVGOSA-N 1 1 308.342 -1.355 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CCS(C)(=O)=O)C1 ZINC001398639843 924659653 /nfs/dbraw/zinc/65/96/53/924659653.db2.gz QMOGOEXPJUFJJC-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)COCC(F)F)C2)C1 ZINC001398653122 924661627 /nfs/dbraw/zinc/66/16/27/924661627.db2.gz PUMTZGAFIVJRTK-SNVBAGLBSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)COCC(F)F)C2)C1 ZINC001398653122 924661630 /nfs/dbraw/zinc/66/16/30/924661630.db2.gz PUMTZGAFIVJRTK-SNVBAGLBSA-N 1 1 321.324 -1.074 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001398671728 924662809 /nfs/dbraw/zinc/66/28/09/924662809.db2.gz ZBPAFQTWMPQFRR-AOOOYVTPSA-N 1 1 315.399 -1.013 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001398676918 924663781 /nfs/dbraw/zinc/66/37/81/924663781.db2.gz XMRSQMDXXZVOEY-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001398697239 924664611 /nfs/dbraw/zinc/66/46/11/924664611.db2.gz SOCMRSHESBCMAI-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c1=O ZINC001398693515 924665039 /nfs/dbraw/zinc/66/50/39/924665039.db2.gz OIJLXASMAQFOFY-LBPRGKRZSA-N 1 1 311.386 -1.208 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 ZINC001398724975 924666282 /nfs/dbraw/zinc/66/62/82/924666282.db2.gz HGOIUNDKZUMXPW-JTQLQIEISA-N 1 1 324.389 -1.403 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001398721258 924667197 /nfs/dbraw/zinc/66/71/97/924667197.db2.gz CKTBQAOSSTWVJI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001398721258 924667202 /nfs/dbraw/zinc/66/72/02/924667202.db2.gz CKTBQAOSSTWVJI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001398770354 924669504 /nfs/dbraw/zinc/66/95/04/924669504.db2.gz MVMLDRSIGZBJNN-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CCn2cnnn2)C1 ZINC001398792958 924671341 /nfs/dbraw/zinc/67/13/41/924671341.db2.gz BETOKMDCTHPINP-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCOC2 ZINC001398816148 924672939 /nfs/dbraw/zinc/67/29/39/924672939.db2.gz VKYVOIVLUPKAFW-JEFOQBOOSA-N 1 1 322.365 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]12CCOC2 ZINC001398816148 924672943 /nfs/dbraw/zinc/67/29/43/924672943.db2.gz VKYVOIVLUPKAFW-JEFOQBOOSA-N 1 1 322.365 -1.346 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)CCn2cnnn2)C1 ZINC001398798789 924673793 /nfs/dbraw/zinc/67/37/93/924673793.db2.gz NIDAOHSMZBECKK-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2cn(C)nn2)nn1 ZINC001398926130 924679447 /nfs/dbraw/zinc/67/94/47/924679447.db2.gz RCWMOUMNCITNLC-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001398949475 924680446 /nfs/dbraw/zinc/68/04/46/924680446.db2.gz IEMXUYUPSFHFGB-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001398951889 924680596 /nfs/dbraw/zinc/68/05/96/924680596.db2.gz FFBCLSLJLLCSLF-RKDXNWHRSA-N 1 1 322.373 -1.136 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001398949333 924681277 /nfs/dbraw/zinc/68/12/77/924681277.db2.gz IEMXUYUPSFHFGB-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001398972452 924682501 /nfs/dbraw/zinc/68/25/01/924682501.db2.gz HPSQNQONLJPCFV-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1nnnn1C ZINC001399019549 924683871 /nfs/dbraw/zinc/68/38/71/924683871.db2.gz GVXWMHXTBUEVAB-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001398992350 924684347 /nfs/dbraw/zinc/68/43/47/924684347.db2.gz DETCEORFGGHQDS-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001398988330 924685019 /nfs/dbraw/zinc/68/50/19/924685019.db2.gz TXSITMBNHCBNNA-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001399044080 924686559 /nfs/dbraw/zinc/68/65/59/924686559.db2.gz YKEBKQIEULKDGB-VXNVDRBHSA-N 1 1 319.387 -1.090 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC)nn1 ZINC001399125375 924688849 /nfs/dbraw/zinc/68/88/49/924688849.db2.gz YBNJXQVSLDFTHH-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001399093950 924688866 /nfs/dbraw/zinc/68/88/66/924688866.db2.gz CUMAMFBLENLQGI-SFYZADRCSA-N 1 1 318.403 -1.182 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001399102151 924689136 /nfs/dbraw/zinc/68/91/36/924689136.db2.gz PAONDZFJKHEJPQ-MRVPVSSYSA-N 1 1 323.357 -1.351 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001399102155 924690011 /nfs/dbraw/zinc/69/00/11/924690011.db2.gz PAONDZFJKHEJPQ-QMMMGPOBSA-N 1 1 323.357 -1.351 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399103877 924690049 /nfs/dbraw/zinc/69/00/49/924690049.db2.gz PDZGLMNNHACURN-ZJUUUORDSA-N 1 1 309.374 -1.044 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1nncn1C ZINC001399092444 924690156 /nfs/dbraw/zinc/69/01/56/924690156.db2.gz KJGAPVIPICIKFL-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001399282899 924695066 /nfs/dbraw/zinc/69/50/66/924695066.db2.gz IAFUBDRWHHSXOX-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001399282899 924695073 /nfs/dbraw/zinc/69/50/73/924695073.db2.gz IAFUBDRWHHSXOX-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001399255180 924695090 /nfs/dbraw/zinc/69/50/90/924695090.db2.gz FGFIBYAWIMGQCH-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1)S(C)(=O)=O ZINC001399282241 924695212 /nfs/dbraw/zinc/69/52/12/924695212.db2.gz FYYNRTXISQGEGK-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001399290125 924695770 /nfs/dbraw/zinc/69/57/70/924695770.db2.gz MKBBXKPNLAPPDY-SECBINFHSA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001399290125 924695775 /nfs/dbraw/zinc/69/57/75/924695775.db2.gz MKBBXKPNLAPPDY-SECBINFHSA-N 1 1 323.357 -1.156 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399353179 924698997 /nfs/dbraw/zinc/69/89/97/924698997.db2.gz TYQKAEWDJCUCBT-MNOVXSKESA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001399448648 924702715 /nfs/dbraw/zinc/70/27/15/924702715.db2.gz KVVGUDCRFDAXEO-UWVGGRQHSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001399448648 924702727 /nfs/dbraw/zinc/70/27/27/924702727.db2.gz KVVGUDCRFDAXEO-UWVGGRQHSA-N 1 1 320.415 -1.474 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O ZINC001399452618 924702774 /nfs/dbraw/zinc/70/27/74/924702774.db2.gz VNZSBBDWUBDVEW-JTQLQIEISA-N 1 1 316.406 -1.201 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)on1 ZINC001399450514 924702997 /nfs/dbraw/zinc/70/29/97/924702997.db2.gz UTFWLGLUWIJFTJ-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)on1 ZINC001399450514 924703007 /nfs/dbraw/zinc/70/30/07/924703007.db2.gz UTFWLGLUWIJFTJ-ZETCQYMHSA-N 1 1 313.314 -1.072 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001399438438 924703468 /nfs/dbraw/zinc/70/34/68/924703468.db2.gz NVDFGRPGOZQNRB-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399441385 924704363 /nfs/dbraw/zinc/70/43/63/924704363.db2.gz NUWBWHNVTMUFMY-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001399441385 924704372 /nfs/dbraw/zinc/70/43/72/924704372.db2.gz NUWBWHNVTMUFMY-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1CCOCC1 ZINC001399437586 924704428 /nfs/dbraw/zinc/70/44/28/924704428.db2.gz JYMMEABXHCWHLJ-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1CCOCC1 ZINC001399437586 924704438 /nfs/dbraw/zinc/70/44/38/924704438.db2.gz JYMMEABXHCWHLJ-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001399434365 924704465 /nfs/dbraw/zinc/70/44/65/924704465.db2.gz DBGPWTXEIYIGJB-SNVBAGLBSA-N 1 1 310.358 -1.052 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)n1cccn1 ZINC001399434365 924704473 /nfs/dbraw/zinc/70/44/73/924704473.db2.gz DBGPWTXEIYIGJB-SNVBAGLBSA-N 1 1 310.358 -1.052 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@](C)(O)C1CC1)CC(=O)NC(N)=O ZINC001399446445 924704577 /nfs/dbraw/zinc/70/45/77/924704577.db2.gz JAAISAKIMDVANA-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@](C)(O)C1CC1)CC(=O)NC(N)=O ZINC001399446445 924704584 /nfs/dbraw/zinc/70/45/84/924704584.db2.gz JAAISAKIMDVANA-CYBMUJFWSA-N 1 1 300.359 -1.220 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001399492547 924705584 /nfs/dbraw/zinc/70/55/84/924705584.db2.gz VSBQFVCQJSCLFJ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001399492547 924705594 /nfs/dbraw/zinc/70/55/94/924705594.db2.gz VSBQFVCQJSCLFJ-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)c1ccncc1)[C@@H]1CCNC1=O ZINC001399491331 924706293 /nfs/dbraw/zinc/70/62/93/924706293.db2.gz GTZKIDLWJQGFBX-GFCCVEGCSA-N 1 1 319.365 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)c1ccncc1)[C@@H]1CCNC1=O ZINC001399491331 924706299 /nfs/dbraw/zinc/70/62/99/924706299.db2.gz GTZKIDLWJQGFBX-GFCCVEGCSA-N 1 1 319.365 -1.252 20 0 DAADMO Cn1c(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)c[nH]c1=O ZINC001399561461 924707753 /nfs/dbraw/zinc/70/77/53/924707753.db2.gz RESCWKUYUWQRLK-UHFFFAOYSA-N 1 1 319.387 -1.664 20 0 DAADMO Cn1c(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)c[nH]c1=O ZINC001399561461 924707760 /nfs/dbraw/zinc/70/77/60/924707760.db2.gz RESCWKUYUWQRLK-UHFFFAOYSA-N 1 1 319.387 -1.664 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)CCNS(C)(=O)=O ZINC001399525764 924707783 /nfs/dbraw/zinc/70/77/83/924707783.db2.gz RNAZCGDGHTYBME-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001399565880 924708126 /nfs/dbraw/zinc/70/81/26/924708126.db2.gz BWRPNNSXUKFJPD-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)NC1=O ZINC001399559280 924708805 /nfs/dbraw/zinc/70/88/05/924708805.db2.gz MLKWBQKIHQJWAO-VIFPVBQESA-N 1 1 321.403 -2.393 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)NC1=O ZINC001399559280 924708814 /nfs/dbraw/zinc/70/88/14/924708814.db2.gz MLKWBQKIHQJWAO-VIFPVBQESA-N 1 1 321.403 -2.393 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001399563910 924708939 /nfs/dbraw/zinc/70/89/39/924708939.db2.gz WVDHADVYJBMTNO-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001399563910 924708948 /nfs/dbraw/zinc/70/89/48/924708948.db2.gz WVDHADVYJBMTNO-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399517835 924709106 /nfs/dbraw/zinc/70/91/06/924709106.db2.gz RFGXCKFDHNVGLH-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399517835 924709112 /nfs/dbraw/zinc/70/91/12/924709112.db2.gz RFGXCKFDHNVGLH-SNVBAGLBSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001399555813 924709133 /nfs/dbraw/zinc/70/91/33/924709133.db2.gz FIYYCNVLRXDAEX-MRVPVSSYSA-N 1 1 301.347 -1.999 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001399555813 924709145 /nfs/dbraw/zinc/70/91/45/924709145.db2.gz FIYYCNVLRXDAEX-MRVPVSSYSA-N 1 1 301.347 -1.999 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)n1 ZINC001399567814 924709238 /nfs/dbraw/zinc/70/92/38/924709238.db2.gz ICPLXQPFHUCQPV-UHFFFAOYSA-N 1 1 305.342 -1.229 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC001399545610 924709317 /nfs/dbraw/zinc/70/93/17/924709317.db2.gz UTEPRCSYNBRXDN-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO C[N@H+](CCNC(=O)CCCS(N)(=O)=O)[C@H]1CCCNC1=O ZINC001399562966 924709665 /nfs/dbraw/zinc/70/96/65/924709665.db2.gz AWHFLTWXCKWUPI-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO C[N@@H+](CCNC(=O)CCCS(N)(=O)=O)[C@H]1CCCNC1=O ZINC001399562966 924709673 /nfs/dbraw/zinc/70/96/73/924709673.db2.gz AWHFLTWXCKWUPI-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccncn1 ZINC001399590363 924710407 /nfs/dbraw/zinc/71/04/07/924710407.db2.gz DDHJZVJLGKUOGR-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccncn1 ZINC001399590363 924710414 /nfs/dbraw/zinc/71/04/14/924710414.db2.gz DDHJZVJLGKUOGR-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001399589816 924710736 /nfs/dbraw/zinc/71/07/36/924710736.db2.gz PDACMGSPZYNXAI-SECBINFHSA-N 1 1 321.341 -2.187 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001399589816 924710745 /nfs/dbraw/zinc/71/07/45/924710745.db2.gz PDACMGSPZYNXAI-SECBINFHSA-N 1 1 321.341 -2.187 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001399592573 924711252 /nfs/dbraw/zinc/71/12/52/924711252.db2.gz HZNZMDGXQKZGLI-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)n1 ZINC001399592573 924711258 /nfs/dbraw/zinc/71/12/58/924711258.db2.gz HZNZMDGXQKZGLI-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO C[N@@H+](CCCN1CCCC1=O)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399572860 924712128 /nfs/dbraw/zinc/71/21/28/924712128.db2.gz RJYGGOYSKOSNBY-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001399654152 924712830 /nfs/dbraw/zinc/71/28/30/924712830.db2.gz CJKZYOMTBRBLFR-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC1CC1 ZINC001399654152 924712838 /nfs/dbraw/zinc/71/28/38/924712838.db2.gz CJKZYOMTBRBLFR-SECBINFHSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)CN2CCC(=O)NC2=O)cn1 ZINC001399631815 924713388 /nfs/dbraw/zinc/71/33/88/924713388.db2.gz HCSXQPMNPNIJPE-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)CN2CCC(=O)NC2=O)cn1 ZINC001399631815 924713396 /nfs/dbraw/zinc/71/33/96/924713396.db2.gz HCSXQPMNPNIJPE-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)C[C@H](O)CN1CCCC1=O ZINC001399649851 924713709 /nfs/dbraw/zinc/71/37/09/924713709.db2.gz VUNQFKZQPXNPAP-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)C[C@H](C)O ZINC001399638959 924713938 /nfs/dbraw/zinc/71/39/38/924713938.db2.gz IFXJRNINGPKRLQ-ZETCQYMHSA-N 1 1 300.315 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001399640172 924714371 /nfs/dbraw/zinc/71/43/71/924714371.db2.gz XMMQSRCUFNGQTE-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001399640172 924714380 /nfs/dbraw/zinc/71/43/80/924714380.db2.gz XMMQSRCUFNGQTE-SNVBAGLBSA-N 1 1 324.385 -1.697 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CCn2cnccc2=O)C1=O ZINC001399622533 924714439 /nfs/dbraw/zinc/71/44/39/924714439.db2.gz KQEQVLGNKHLRJD-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CCn2cnccc2=O)C1=O ZINC001399622533 924714445 /nfs/dbraw/zinc/71/44/45/924714445.db2.gz KQEQVLGNKHLRJD-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)CCn2cnccc2=O)C1=O ZINC001399622525 924714624 /nfs/dbraw/zinc/71/46/24/924714624.db2.gz KQEQVLGNKHLRJD-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)CCn2cnccc2=O)C1=O ZINC001399622525 924714634 /nfs/dbraw/zinc/71/46/34/924714634.db2.gz KQEQVLGNKHLRJD-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nonc1C ZINC001399656912 924715213 /nfs/dbraw/zinc/71/52/13/924715213.db2.gz UGLDFDOBVZJRMZ-QMMMGPOBSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nonc1C ZINC001399656912 924715221 /nfs/dbraw/zinc/71/52/21/924715221.db2.gz UGLDFDOBVZJRMZ-QMMMGPOBSA-N 1 1 312.330 -1.116 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CS(C)(=O)=O ZINC001399666126 924715233 /nfs/dbraw/zinc/71/52/33/924715233.db2.gz LTWFJCGVEMBSGR-NSHDSACASA-N 1 1 319.427 -1.101 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001399660121 924715565 /nfs/dbraw/zinc/71/55/65/924715565.db2.gz UUXOKVNXSKDIGP-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001399660121 924715574 /nfs/dbraw/zinc/71/55/74/924715574.db2.gz UUXOKVNXSKDIGP-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCCN(C)C1=O ZINC001399660147 924715709 /nfs/dbraw/zinc/71/57/09/924715709.db2.gz VMHGNHLFBSZDJZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001399660147 924715712 /nfs/dbraw/zinc/71/57/12/924715712.db2.gz VMHGNHLFBSZDJZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CCCNC1=O ZINC001399657952 924716140 /nfs/dbraw/zinc/71/61/40/924716140.db2.gz XOWLHADRGKRIPZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CCCNC1=O ZINC001399657952 924716149 /nfs/dbraw/zinc/71/61/49/924716149.db2.gz XOWLHADRGKRIPZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(=O)NC ZINC001399699215 924718122 /nfs/dbraw/zinc/71/81/22/924718122.db2.gz MYOUUFMRIDMFOG-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)CC(=O)NC(=O)NC ZINC001399699215 924718130 /nfs/dbraw/zinc/71/81/30/924718130.db2.gz MYOUUFMRIDMFOG-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001399694434 924718201 /nfs/dbraw/zinc/71/82/01/924718201.db2.gz GKUIODMIOSUBGK-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001399694434 924718203 /nfs/dbraw/zinc/71/82/03/924718203.db2.gz GKUIODMIOSUBGK-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399686513 924718527 /nfs/dbraw/zinc/71/85/27/924718527.db2.gz ICQHNLIEIIXXJW-MNOVXSKESA-N 1 1 312.370 -1.037 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCN1CC(F)F)CC(N)=O ZINC001399727533 924719184 /nfs/dbraw/zinc/71/91/84/924719184.db2.gz APNPUUSIEURKDU-JTQLQIEISA-N 1 1 322.356 -1.124 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCN1CC(F)F)CC(N)=O ZINC001399727533 924719189 /nfs/dbraw/zinc/71/91/89/924719189.db2.gz APNPUUSIEURKDU-JTQLQIEISA-N 1 1 322.356 -1.124 20 0 DAADMO CC[N@H+](CCNC(=O)C1CS(=O)(=O)C1)C[C@H](O)COC ZINC001399720210 924720270 /nfs/dbraw/zinc/72/02/70/924720270.db2.gz GSPOWTYCBJVXND-NSHDSACASA-N 1 1 308.400 -1.524 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CS(=O)(=O)C1)C[C@H](O)COC ZINC001399720210 924720282 /nfs/dbraw/zinc/72/02/82/924720282.db2.gz GSPOWTYCBJVXND-NSHDSACASA-N 1 1 308.400 -1.524 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001399721606 924720415 /nfs/dbraw/zinc/72/04/15/924720415.db2.gz FAAYTUGPCGMDMC-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(F)F)C1 ZINC001399757938 924723584 /nfs/dbraw/zinc/72/35/84/924723584.db2.gz UZDQLVLMGZLDBX-VHSXEESVSA-N 1 1 323.340 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767741 924724058 /nfs/dbraw/zinc/72/40/58/924724058.db2.gz NNCGCFNQAMNJLZ-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccccn2)C1 ZINC001399767741 924724066 /nfs/dbraw/zinc/72/40/66/924724066.db2.gz NNCGCFNQAMNJLZ-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001399764737 924724225 /nfs/dbraw/zinc/72/42/25/924724225.db2.gz BUNCQNCSJZZEQA-QWRGUYRKSA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779563 924726102 /nfs/dbraw/zinc/72/61/02/924726102.db2.gz DBQKYVVKOSSESO-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779563 924726109 /nfs/dbraw/zinc/72/61/09/924726109.db2.gz DBQKYVVKOSSESO-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C(=O)NC ZINC001399774523 924726156 /nfs/dbraw/zinc/72/61/56/924726156.db2.gz MOIANCKQGRWTGE-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C(=O)NC ZINC001399774523 924726168 /nfs/dbraw/zinc/72/61/68/924726168.db2.gz MOIANCKQGRWTGE-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C(=O)NC ZINC001399774538 924726558 /nfs/dbraw/zinc/72/65/58/924726558.db2.gz MOIANCKQGRWTGE-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](C)C(=O)NC ZINC001399774538 924726570 /nfs/dbraw/zinc/72/65/70/924726570.db2.gz MOIANCKQGRWTGE-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399785362 924727759 /nfs/dbraw/zinc/72/77/59/924727759.db2.gz IFNNPOFDKQYKRV-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001399787020 924729932 /nfs/dbraw/zinc/72/99/32/924729932.db2.gz QFWUNFUUAOLABI-NSHDSACASA-N 1 1 315.370 -1.190 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001399795545 924730596 /nfs/dbraw/zinc/73/05/96/924730596.db2.gz NWVVOYDZFJEIPB-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399795737 924731068 /nfs/dbraw/zinc/73/10/68/924731068.db2.gz JSDWLGFWJGEURX-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1CCC(=O)NC1=O ZINC001399792907 924731151 /nfs/dbraw/zinc/73/11/51/924731151.db2.gz MJHJTOKVDAMAIZ-UHFFFAOYSA-N 1 1 300.359 -1.251 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001399795534 924731489 /nfs/dbraw/zinc/73/14/89/924731489.db2.gz NWVVOYDZFJEIPB-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO CC[N@H+](CCNC(=O)CCNC(N)=O)[C@@H](C)C(=O)N(C)C ZINC001399801696 924733784 /nfs/dbraw/zinc/73/37/84/924733784.db2.gz BQFMAFDTOOIWJW-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(N)=O)[C@@H](C)C(=O)N(C)C ZINC001399801696 924733792 /nfs/dbraw/zinc/73/37/92/924733792.db2.gz BQFMAFDTOOIWJW-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399801946 924734389 /nfs/dbraw/zinc/73/43/89/924734389.db2.gz PBXDHJIAQBCSDK-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)[C@H]1CCNC1=O ZINC001399808307 924736276 /nfs/dbraw/zinc/73/62/76/924736276.db2.gz SRZSGDZSKZUTDM-VIFPVBQESA-N 1 1 320.353 -1.484 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001399809640 924736556 /nfs/dbraw/zinc/73/65/56/924736556.db2.gz ZUSRUYJHTSOVAI-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cncn1)[C@@H](C)C(=O)NC(N)=O ZINC001399808093 924736661 /nfs/dbraw/zinc/73/66/61/924736661.db2.gz REPSXMTZELXSFR-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)[C@@H](C)C(=O)NC(N)=O ZINC001399808093 924736669 /nfs/dbraw/zinc/73/66/69/924736669.db2.gz REPSXMTZELXSFR-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001399814543 924738046 /nfs/dbraw/zinc/73/80/46/924738046.db2.gz VCNOCCURVXYFIJ-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)CC[N@H+]1C ZINC001399817844 924738673 /nfs/dbraw/zinc/73/86/73/924738673.db2.gz BFLOKPDJGNKYEY-IJLUTSLNSA-N 1 1 323.397 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001399814539 924738795 /nfs/dbraw/zinc/73/87/95/924738795.db2.gz VCNOCCURVXYFIJ-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399827891 924740487 /nfs/dbraw/zinc/74/04/87/924740487.db2.gz LUBKVULKISIDDM-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001399845084 924743097 /nfs/dbraw/zinc/74/30/97/924743097.db2.gz DWSOLQJMYBFAHZ-VXGBXAGGSA-N 1 1 307.354 -1.365 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399842542 924743106 /nfs/dbraw/zinc/74/31/06/924743106.db2.gz DFELQEZALZSXCZ-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399850807 924744436 /nfs/dbraw/zinc/74/44/36/924744436.db2.gz XMGFDBWCPWODDG-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001399848123 924744901 /nfs/dbraw/zinc/74/49/01/924744901.db2.gz AJUXNPNYHFZYGS-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001399848123 924744905 /nfs/dbraw/zinc/74/49/05/924744905.db2.gz AJUXNPNYHFZYGS-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001399851079 924745065 /nfs/dbraw/zinc/74/50/65/924745065.db2.gz DTHDMCQZVQEKQJ-GHMZBOCLSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001399847609 924745300 /nfs/dbraw/zinc/74/53/00/924745300.db2.gz FPIPMCLXSYAQOX-DTWKUNHWSA-N 1 1 311.346 -2.489 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001399854565 924746226 /nfs/dbraw/zinc/74/62/26/924746226.db2.gz OILRKJWVBMXGHX-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncccn2)C1 ZINC001399854562 924747187 /nfs/dbraw/zinc/74/71/87/924747187.db2.gz OILRKJWVBMXGHX-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001399853973 924747366 /nfs/dbraw/zinc/74/73/66/924747366.db2.gz HOQUNEFVXQIHQW-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001399852609 924747419 /nfs/dbraw/zinc/74/74/19/924747419.db2.gz CDEYAVBACXRBPJ-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001399852609 924747427 /nfs/dbraw/zinc/74/74/27/924747427.db2.gz CDEYAVBACXRBPJ-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001399865540 924748164 /nfs/dbraw/zinc/74/81/64/924748164.db2.gz WVBMJUCTXSDNQO-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399861687 924748674 /nfs/dbraw/zinc/74/86/74/924748674.db2.gz CKHKMZJBJZKYSH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399861687 924748677 /nfs/dbraw/zinc/74/86/77/924748677.db2.gz CKHKMZJBJZKYSH-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001399869868 924749877 /nfs/dbraw/zinc/74/98/77/924749877.db2.gz FAKYNDYGSFYLQF-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869868 924749884 /nfs/dbraw/zinc/74/98/84/924749884.db2.gz FAKYNDYGSFYLQF-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869868 924749891 /nfs/dbraw/zinc/74/98/91/924749891.db2.gz FAKYNDYGSFYLQF-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001399867765 924750095 /nfs/dbraw/zinc/75/00/95/924750095.db2.gz UNQXGLDCZHWHAE-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001399867765 924750101 /nfs/dbraw/zinc/75/01/01/924750101.db2.gz UNQXGLDCZHWHAE-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001399868399 924750359 /nfs/dbraw/zinc/75/03/59/924750359.db2.gz KODVUEKGSJLTEL-QWRGUYRKSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001399868399 924750361 /nfs/dbraw/zinc/75/03/61/924750361.db2.gz KODVUEKGSJLTEL-QWRGUYRKSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001399870850 924750479 /nfs/dbraw/zinc/75/04/79/924750479.db2.gz FMNDFZXWCPLKSY-KOLCDFICSA-N 1 1 311.342 -1.239 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001399890601 924752968 /nfs/dbraw/zinc/75/29/68/924752968.db2.gz HFKYOBLGSOEXOJ-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnsn2)C1 ZINC001399888451 924753120 /nfs/dbraw/zinc/75/31/20/924753120.db2.gz CXMGRTDSCQFLQM-SSDOTTSWSA-N 1 1 312.355 -1.215 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnsn2)C1 ZINC001399888451 924753134 /nfs/dbraw/zinc/75/31/34/924753134.db2.gz CXMGRTDSCQFLQM-SSDOTTSWSA-N 1 1 312.355 -1.215 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001399884099 924753822 /nfs/dbraw/zinc/75/38/22/924753822.db2.gz MOOYBOYCANXFGI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884099 924753829 /nfs/dbraw/zinc/75/38/29/924753829.db2.gz MOOYBOYCANXFGI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001399884099 924753833 /nfs/dbraw/zinc/75/38/33/924753833.db2.gz MOOYBOYCANXFGI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884099 924753840 /nfs/dbraw/zinc/75/38/40/924753840.db2.gz MOOYBOYCANXFGI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001399884099 924753843 /nfs/dbraw/zinc/75/38/43/924753843.db2.gz MOOYBOYCANXFGI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001399888495 924754022 /nfs/dbraw/zinc/75/40/22/924754022.db2.gz CSRMYONBKOSNMT-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892886 924754702 /nfs/dbraw/zinc/75/47/02/924754702.db2.gz ILHXGWVAAMAVGE-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001399892886 924754711 /nfs/dbraw/zinc/75/47/11/924754711.db2.gz ILHXGWVAAMAVGE-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001399896578 924755091 /nfs/dbraw/zinc/75/50/91/924755091.db2.gz LVHMODUSMHWAHI-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001399902637 924756027 /nfs/dbraw/zinc/75/60/27/924756027.db2.gz JYDRXPMPTAXZSN-OLZOCXBDSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001399895989 924756160 /nfs/dbraw/zinc/75/61/60/924756160.db2.gz KJEOGXVGFIWXDH-LLVKDONJSA-N 1 1 305.346 -1.597 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001399897047 924756468 /nfs/dbraw/zinc/75/64/68/924756468.db2.gz LXVNWHWJMLPQAE-SNVBAGLBSA-N 1 1 321.399 -1.175 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001399897047 924756479 /nfs/dbraw/zinc/75/64/79/924756479.db2.gz LXVNWHWJMLPQAE-SNVBAGLBSA-N 1 1 321.399 -1.175 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001399900500 924756734 /nfs/dbraw/zinc/75/67/34/924756734.db2.gz QOMWPRZMHJHCBO-LLVKDONJSA-N 1 1 322.373 -1.864 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399925520 924757434 /nfs/dbraw/zinc/75/74/34/924757434.db2.gz IULAOSCZRJQDBY-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399925520 924757442 /nfs/dbraw/zinc/75/74/42/924757442.db2.gz IULAOSCZRJQDBY-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001399929609 924758967 /nfs/dbraw/zinc/75/89/67/924758967.db2.gz KXARXYMNZTTYLW-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001399929405 924758982 /nfs/dbraw/zinc/75/89/82/924758982.db2.gz KSYVEJOEMRHHNR-MNOVXSKESA-N 1 1 307.416 -1.126 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399929495 924758994 /nfs/dbraw/zinc/75/89/94/924758994.db2.gz WXZZSMIGLFLGBY-IJLUTSLNSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399929495 924759000 /nfs/dbraw/zinc/75/90/00/924759000.db2.gz WXZZSMIGLFLGBY-IJLUTSLNSA-N 1 1 301.387 -1.045 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NCC1CC1 ZINC001399932046 924759992 /nfs/dbraw/zinc/75/99/92/924759992.db2.gz QIDGGBFSTFBGSC-VXGBXAGGSA-N 1 1 323.397 -1.368 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001399930520 924760025 /nfs/dbraw/zinc/76/00/25/924760025.db2.gz WPGIRTOSQIEIEB-QWRGUYRKSA-N 1 1 322.369 -2.092 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399940068 924760136 /nfs/dbraw/zinc/76/01/36/924760136.db2.gz ZPMKHNQMFCFIJY-SNVBAGLBSA-N 1 1 309.374 -1.280 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400005686 924762758 /nfs/dbraw/zinc/76/27/58/924762758.db2.gz MVUCWXRWOYABMO-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001400005686 924762768 /nfs/dbraw/zinc/76/27/68/924762768.db2.gz MVUCWXRWOYABMO-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)c1 ZINC001399991563 924762788 /nfs/dbraw/zinc/76/27/88/924762788.db2.gz IFCPBDVXOSGNEX-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)c1 ZINC001399991563 924762792 /nfs/dbraw/zinc/76/27/92/924762792.db2.gz IFCPBDVXOSGNEX-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(N)=O ZINC001399983702 924762904 /nfs/dbraw/zinc/76/29/04/924762904.db2.gz ZBUBNQICWLNCHS-UHFFFAOYSA-N 1 1 311.346 -1.699 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cncn1)CC(=O)NC(N)=O ZINC001399983702 924762912 /nfs/dbraw/zinc/76/29/12/924762912.db2.gz ZBUBNQICWLNCHS-UHFFFAOYSA-N 1 1 311.346 -1.699 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001400005689 924763028 /nfs/dbraw/zinc/76/30/28/924763028.db2.gz MVUCWXRWOYABMO-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001400005689 924763039 /nfs/dbraw/zinc/76/30/39/924763039.db2.gz MVUCWXRWOYABMO-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1nnnc1CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001399986539 924763341 /nfs/dbraw/zinc/76/33/41/924763341.db2.gz CTJUAVCNEHTJKY-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001399986539 924763347 /nfs/dbraw/zinc/76/33/47/924763347.db2.gz CTJUAVCNEHTJKY-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399983456 924763420 /nfs/dbraw/zinc/76/34/20/924763420.db2.gz CAQKWCZYIIKPMK-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnns1)C1CC1 ZINC001399990439 924763699 /nfs/dbraw/zinc/76/36/99/924763699.db2.gz NAODWUHDLMJBDE-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnns1)C1CC1 ZINC001399990439 924763706 /nfs/dbraw/zinc/76/37/06/924763706.db2.gz NAODWUHDLMJBDE-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC001400003031 924764055 /nfs/dbraw/zinc/76/40/55/924764055.db2.gz JWKNXBOCHFFQIZ-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](CC(=O)NC1CC1)C1CC1 ZINC001400003031 924764062 /nfs/dbraw/zinc/76/40/62/924764062.db2.gz JWKNXBOCHFFQIZ-UHFFFAOYSA-N 1 1 307.358 -1.468 20 0 DAADMO NC(=O)Cc1occc1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001400023288 924765384 /nfs/dbraw/zinc/76/53/84/924765384.db2.gz MQWHHKRLYLZPEC-UHFFFAOYSA-N 1 1 308.338 -1.013 20 0 DAADMO NC(=O)Cc1occc1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001400023288 924765388 /nfs/dbraw/zinc/76/53/88/924765388.db2.gz MQWHHKRLYLZPEC-UHFFFAOYSA-N 1 1 308.338 -1.013 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001400032469 924765491 /nfs/dbraw/zinc/76/54/91/924765491.db2.gz GUDNFHYIWMSUFF-RKDXNWHRSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001400032469 924765497 /nfs/dbraw/zinc/76/54/97/924765497.db2.gz GUDNFHYIWMSUFF-RKDXNWHRSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001400013664 924765731 /nfs/dbraw/zinc/76/57/31/924765731.db2.gz UIVXINCZXPQFSF-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001400026082 924766157 /nfs/dbraw/zinc/76/61/57/924766157.db2.gz AGIHBZVOQBOVGR-NEPJUHHUSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncn(C)c1=O ZINC001400013668 924766265 /nfs/dbraw/zinc/76/62/65/924766265.db2.gz UIVXINCZXPQFSF-MNOVXSKESA-N 1 1 324.385 -1.846 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001400051921 924766843 /nfs/dbraw/zinc/76/68/43/924766843.db2.gz KJXBLFDCQPXZFR-SNVBAGLBSA-N 1 1 323.401 -1.346 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(N)=O ZINC001400100074 924771147 /nfs/dbraw/zinc/77/11/47/924771147.db2.gz QGOGKHDQALOOCG-TUAOUCFPSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001400105499 924772929 /nfs/dbraw/zinc/77/29/29/924772929.db2.gz XLUPLKKDJGMRNT-TXEJJXNPSA-N 1 1 312.370 -2.094 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001400152103 924773496 /nfs/dbraw/zinc/77/34/96/924773496.db2.gz FSUXDVJTPIVRCU-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@H](CCNC(=O)Cn3cnnn3)C2)n1 ZINC001400147283 924774506 /nfs/dbraw/zinc/77/45/06/924774506.db2.gz NQBWHIRHTZGPNL-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@H](CCNC(=O)Cn3cnnn3)C2)n1 ZINC001400147283 924774508 /nfs/dbraw/zinc/77/45/08/924774508.db2.gz NQBWHIRHTZGPNL-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400156678 924774576 /nfs/dbraw/zinc/77/45/76/924774576.db2.gz UXCDTBGOLQWXOW-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001400162546 924775430 /nfs/dbraw/zinc/77/54/30/924775430.db2.gz OODFOIPESOBDEQ-RYUDHWBXSA-N 1 1 312.374 -1.491 20 0 DAADMO O=C(NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001400176291 924775901 /nfs/dbraw/zinc/77/59/01/924775901.db2.gz PMDRJFAGGNVOCZ-NEPJUHHUSA-N 1 1 321.385 -1.212 20 0 DAADMO Cn1cnnc1COCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400185823 924775933 /nfs/dbraw/zinc/77/59/33/924775933.db2.gz HRZQSUYONCJCGN-LLVKDONJSA-N 1 1 324.385 -1.355 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400192169 924778019 /nfs/dbraw/zinc/77/80/19/924778019.db2.gz DTSVDBKOSPZUNN-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400224873 924778554 /nfs/dbraw/zinc/77/85/54/924778554.db2.gz CDHVLZCPRUXGLE-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400224875 924779609 /nfs/dbraw/zinc/77/96/09/924779609.db2.gz CDHVLZCPRUXGLE-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001400220463 924780023 /nfs/dbraw/zinc/78/00/23/924780023.db2.gz PLPONCMGHPZUME-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001400231711 924781526 /nfs/dbraw/zinc/78/15/26/924781526.db2.gz HMCDRXLCDQGCNQ-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400236802 924781620 /nfs/dbraw/zinc/78/16/20/924781620.db2.gz KPORBQAMWJILMM-GHMZBOCLSA-N 1 1 324.385 -1.764 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC001400257193 924783359 /nfs/dbraw/zinc/78/33/59/924783359.db2.gz UBUQBVKWLWKPIL-NSHDSACASA-N 1 1 324.381 -1.530 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001400262202 924783930 /nfs/dbraw/zinc/78/39/30/924783930.db2.gz ALQSBGLDLLNRLP-UTLUCORTSA-N 1 1 324.389 -1.092 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001400340267 924789257 /nfs/dbraw/zinc/78/92/57/924789257.db2.gz MSCWJERWOOABAS-NSHDSACASA-N 1 1 320.415 -2.333 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001400340267 924789260 /nfs/dbraw/zinc/78/92/60/924789260.db2.gz MSCWJERWOOABAS-NSHDSACASA-N 1 1 320.415 -2.333 20 0 DAADMO Cn1[nH]c(CN2CC(NC(=O)CC[NH+]3CCOCC3)C2)nc1=O ZINC001400415995 924797554 /nfs/dbraw/zinc/79/75/54/924797554.db2.gz RFZLIRXLACWCBY-UHFFFAOYSA-N 1 1 324.385 -1.869 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001400411962 924797675 /nfs/dbraw/zinc/79/76/75/924797675.db2.gz IAADKAGSEHSSBC-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001400420489 924797720 /nfs/dbraw/zinc/79/77/20/924797720.db2.gz MMWYXFHQUUUNBG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001400428216 924798197 /nfs/dbraw/zinc/79/81/97/924798197.db2.gz QAQQYCVTHIVJRJ-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001400424895 924798780 /nfs/dbraw/zinc/79/87/80/924798780.db2.gz TXYCATHXNYHCJX-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001400428208 924798949 /nfs/dbraw/zinc/79/89/49/924798949.db2.gz QAQQYCVTHIVJRJ-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001400473704 924803452 /nfs/dbraw/zinc/80/34/52/924803452.db2.gz BFHHJAOGEUTTJM-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001400479328 924804138 /nfs/dbraw/zinc/80/41/38/924804138.db2.gz HYEHUTFUJLXFRS-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001400567443 924811965 /nfs/dbraw/zinc/81/19/65/924811965.db2.gz KMEBWZUKFLXODN-MROQNXINSA-N 1 1 311.382 -1.243 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001400569295 924812191 /nfs/dbraw/zinc/81/21/91/924812191.db2.gz NSHKFVSONBHOQC-DCAQKATOSA-N 1 1 300.359 -1.792 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNS(C)(=O)=O ZINC001400567720 924812998 /nfs/dbraw/zinc/81/29/98/924812998.db2.gz KRTKJRKNOKABAC-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001400562755 924813114 /nfs/dbraw/zinc/81/31/14/924813114.db2.gz PADVZHWJFFEPOJ-VIFPVBQESA-N 1 1 320.415 -1.940 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001400582306 924813596 /nfs/dbraw/zinc/81/35/96/924813596.db2.gz POKUBLPIGPAUAE-ZJUUUORDSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001400582301 924813774 /nfs/dbraw/zinc/81/37/74/924813774.db2.gz POKUBLPIGPAUAE-VHSXEESVSA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001400582693 924814863 /nfs/dbraw/zinc/81/48/63/924814863.db2.gz VGSXUPJXEQTSNK-DCAQKATOSA-N 1 1 324.385 -1.647 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001400582693 924814870 /nfs/dbraw/zinc/81/48/70/924814870.db2.gz VGSXUPJXEQTSNK-DCAQKATOSA-N 1 1 324.385 -1.647 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc(C)[nH]1 ZINC001400572722 924815007 /nfs/dbraw/zinc/81/50/07/924815007.db2.gz WFSOSVIUYSHNAG-SRVKXCTJSA-N 1 1 309.370 -1.052 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)Cn2cncn2)C1 ZINC001400577377 924815057 /nfs/dbraw/zinc/81/50/57/924815057.db2.gz MTKMTERJBJZPQL-SNVBAGLBSA-N 1 1 306.370 -1.007 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H](C)O ZINC001400589960 924815481 /nfs/dbraw/zinc/81/54/81/924815481.db2.gz JPRSUPVUHNMKAB-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H](C)O ZINC001400589960 924815490 /nfs/dbraw/zinc/81/54/90/924815490.db2.gz JPRSUPVUHNMKAB-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001400584437 924816113 /nfs/dbraw/zinc/81/61/13/924816113.db2.gz DMJGAYSNGNXLQF-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001400631530 924817367 /nfs/dbraw/zinc/81/73/67/924817367.db2.gz SOMBHGSTBLSISL-AXFHLTTASA-N 1 1 300.359 -1.792 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001400624116 924818156 /nfs/dbraw/zinc/81/81/56/924818156.db2.gz IUKPSHMTMNZWKS-QWRGUYRKSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001400630749 924818443 /nfs/dbraw/zinc/81/84/43/924818443.db2.gz MLLMALASMRBMQG-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CCn2cnnn2)CC1 ZINC001400644842 924820921 /nfs/dbraw/zinc/82/09/21/924820921.db2.gz SZQRSSLPOXLAPN-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)c2nnn(C)n2)CC1 ZINC001400646937 924821002 /nfs/dbraw/zinc/82/10/02/924821002.db2.gz SCIGSIVEWVRXGV-UHFFFAOYSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653857 924823046 /nfs/dbraw/zinc/82/30/46/924823046.db2.gz NJGYEDYXKDJHDA-DTWKUNHWSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653857 924823055 /nfs/dbraw/zinc/82/30/55/924823055.db2.gz NJGYEDYXKDJHDA-DTWKUNHWSA-N 1 1 306.388 -2.058 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400693865 924823881 /nfs/dbraw/zinc/82/38/81/924823881.db2.gz IZPFAXYMRCEOJH-MWLCHTKSSA-N 1 1 324.385 -1.334 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001400696250 924823968 /nfs/dbraw/zinc/82/39/68/924823968.db2.gz HNILBPZONIAKDU-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001400696250 924823976 /nfs/dbraw/zinc/82/39/76/924823976.db2.gz HNILBPZONIAKDU-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001400700585 924824304 /nfs/dbraw/zinc/82/43/04/924824304.db2.gz SJQWBOSLRGJIPO-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001400700585 924824310 /nfs/dbraw/zinc/82/43/10/924824310.db2.gz SJQWBOSLRGJIPO-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400693852 924824420 /nfs/dbraw/zinc/82/44/20/924824420.db2.gz IZPFAXYMRCEOJH-KOLCDFICSA-N 1 1 324.385 -1.334 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001400693838 924825273 /nfs/dbraw/zinc/82/52/73/924825273.db2.gz IZPFAXYMRCEOJH-GXSJLCMTSA-N 1 1 324.385 -1.334 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001400716369 924825891 /nfs/dbraw/zinc/82/58/91/924825891.db2.gz QBBVBUDJFBHESA-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001400716369 924825895 /nfs/dbraw/zinc/82/58/95/924825895.db2.gz QBBVBUDJFBHESA-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001400716351 924827251 /nfs/dbraw/zinc/82/72/51/924827251.db2.gz QBBVBUDJFBHESA-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001400716351 924827259 /nfs/dbraw/zinc/82/72/59/924827259.db2.gz QBBVBUDJFBHESA-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001400730620 924828679 /nfs/dbraw/zinc/82/86/79/924828679.db2.gz GEHXDXZQVUXVPL-MNOVXSKESA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001400746828 924828908 /nfs/dbraw/zinc/82/89/08/924828908.db2.gz VQRFQBXIFDSJFC-QWRGUYRKSA-N 1 1 312.374 -1.246 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001400729385 924829271 /nfs/dbraw/zinc/82/92/71/924829271.db2.gz BNTJMPKICRHZGY-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001400729385 924829277 /nfs/dbraw/zinc/82/92/77/924829277.db2.gz BNTJMPKICRHZGY-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CNC(=O)NC)C1 ZINC001400752163 924830834 /nfs/dbraw/zinc/83/08/34/924830834.db2.gz DQLCOFWABKIWDL-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO CC[C@@H](CNC(=O)CNC(=O)NC)[NH2+][C@@H](C)c1nnnn1C ZINC001400806556 924831320 /nfs/dbraw/zinc/83/13/20/924831320.db2.gz UJPGMPXZNXTMSG-IUCAKERBSA-N 1 1 312.378 -1.316 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001400789099 924832914 /nfs/dbraw/zinc/83/29/14/924832914.db2.gz WVOUEJVBDGKSOY-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nnnn1C ZINC001400811234 924833855 /nfs/dbraw/zinc/83/38/55/924833855.db2.gz YPYLQIPASOWISR-VIFPVBQESA-N 1 1 316.387 -1.761 20 0 DAADMO CC[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001400870751 924834326 /nfs/dbraw/zinc/83/43/26/924834326.db2.gz YPZWWLYICSCDSB-QMMMGPOBSA-N 1 1 308.346 -1.053 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001400816973 924834852 /nfs/dbraw/zinc/83/48/52/924834852.db2.gz BKUVEVNEJNSFGR-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001400907083 924836108 /nfs/dbraw/zinc/83/61/08/924836108.db2.gz BWDDDOAIVGKZFZ-ZJUUUORDSA-N 1 1 324.389 -1.262 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@](C)(NC(=O)Cn2cnnn2)C2CC2)n1 ZINC001400976031 924837727 /nfs/dbraw/zinc/83/77/27/924837727.db2.gz CUYKFOPAQFUBKN-CYBMUJFWSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@@H](CNC(=O)CCc1nc[nH]n1)C[NH2+]Cc1nnnn1C ZINC001401106544 924842170 /nfs/dbraw/zinc/84/21/70/924842170.db2.gz JBGDLPZVHQYPPD-SECBINFHSA-N 1 1 307.362 -1.197 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001401095730 924842698 /nfs/dbraw/zinc/84/26/98/924842698.db2.gz DYEVJMFDYVDZBK-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CN(CCO)CCO1 ZINC001401169126 924846603 /nfs/dbraw/zinc/84/66/03/924846603.db2.gz NHYUJIKKCAVLRS-ZDUSSCGKSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162154 924847130 /nfs/dbraw/zinc/84/71/30/924847130.db2.gz MBZDTOGLGHLVJE-WDEREUQCSA-N 1 1 313.358 -2.220 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001401162154 924847141 /nfs/dbraw/zinc/84/71/41/924847141.db2.gz MBZDTOGLGHLVJE-WDEREUQCSA-N 1 1 313.358 -2.220 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001401165195 924847325 /nfs/dbraw/zinc/84/73/25/924847325.db2.gz TYTZIHFXPRXMSV-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001401165195 924847334 /nfs/dbraw/zinc/84/73/34/924847334.db2.gz TYTZIHFXPRXMSV-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170466 924849518 /nfs/dbraw/zinc/84/95/18/924849518.db2.gz GRPARILZPRNGRH-WCQYABFASA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2cn(C)nn2)C1 ZINC001401170466 924849524 /nfs/dbraw/zinc/84/95/24/924849524.db2.gz GRPARILZPRNGRH-WCQYABFASA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401199937 924849625 /nfs/dbraw/zinc/84/96/25/924849625.db2.gz HKRYXVUWMMAHNX-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401199937 924849633 /nfs/dbraw/zinc/84/96/33/924849633.db2.gz HKRYXVUWMMAHNX-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170254 924849884 /nfs/dbraw/zinc/84/98/84/924849884.db2.gz KTGXQQINZDPKJT-WDEREUQCSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001401170254 924849894 /nfs/dbraw/zinc/84/98/94/924849894.db2.gz KTGXQQINZDPKJT-WDEREUQCSA-N 1 1 302.375 -1.103 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001401244394 924853196 /nfs/dbraw/zinc/85/31/96/924853196.db2.gz WPBPUZKTEATCEX-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001401244398 924853367 /nfs/dbraw/zinc/85/33/67/924853367.db2.gz WPBPUZKTEATCEX-MWLCHTKSSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401242236 924854037 /nfs/dbraw/zinc/85/40/37/924854037.db2.gz CPHOJAVEYPJGAU-ADEWGFFLSA-N 1 1 324.385 -1.216 20 0 DAADMO CC(C)[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnon1 ZINC001401342619 924856174 /nfs/dbraw/zinc/85/61/74/924856174.db2.gz WCZDCLAXPQWMFW-GFCCVEGCSA-N 1 1 324.385 -1.268 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnnn1C ZINC001401317468 924856192 /nfs/dbraw/zinc/85/61/92/924856192.db2.gz IXAPIWWSFYSORS-BDAKNGLRSA-N 1 1 311.346 -1.451 20 0 DAADMO CC(C)[C@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1ncnn1C ZINC001401339206 924856344 /nfs/dbraw/zinc/85/63/44/924856344.db2.gz UONORNTVLOMNSP-VIFPVBQESA-N 1 1 307.362 -1.117 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001401323523 924856494 /nfs/dbraw/zinc/85/64/94/924856494.db2.gz VQGWFHPUWFYYQD-VIFPVBQESA-N 1 1 313.362 -1.204 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001401366791 924857137 /nfs/dbraw/zinc/85/71/37/924857137.db2.gz WLIVBAWAOSRVNS-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001401366791 924857143 /nfs/dbraw/zinc/85/71/43/924857143.db2.gz WLIVBAWAOSRVNS-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001401384646 924857199 /nfs/dbraw/zinc/85/71/99/924857199.db2.gz PSJAXEVJXVLPQU-LBPRGKRZSA-N 1 1 323.401 -1.033 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)CN1CCOCC1 ZINC001401364228 924857334 /nfs/dbraw/zinc/85/73/34/924857334.db2.gz UPVZSQAJZJCCOQ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)CN1CCOCC1 ZINC001401364228 924857344 /nfs/dbraw/zinc/85/73/44/924857344.db2.gz UPVZSQAJZJCCOQ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001401366187 924857429 /nfs/dbraw/zinc/85/74/29/924857429.db2.gz BNRUZJBDWHVFDH-QMMMGPOBSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1ncn(C)n1 ZINC001401366187 924857435 /nfs/dbraw/zinc/85/74/35/924857435.db2.gz BNRUZJBDWHVFDH-QMMMGPOBSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401386874 924857577 /nfs/dbraw/zinc/85/75/77/924857577.db2.gz YEAQLTMLVCFBEJ-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401386874 924857589 /nfs/dbraw/zinc/85/75/89/924857589.db2.gz YEAQLTMLVCFBEJ-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001401373324 924857927 /nfs/dbraw/zinc/85/79/27/924857927.db2.gz WVWIKWRUGJINQZ-JTQLQIEISA-N 1 1 322.431 -1.468 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001401373324 924857932 /nfs/dbraw/zinc/85/79/32/924857932.db2.gz WVWIKWRUGJINQZ-JTQLQIEISA-N 1 1 322.431 -1.468 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)CCNC(N)=O ZINC001401414232 924858284 /nfs/dbraw/zinc/85/82/84/924858284.db2.gz HWJGFCXKSAIHPH-UHFFFAOYSA-N 1 1 314.390 -1.540 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001401367978 924859346 /nfs/dbraw/zinc/85/93/46/924859346.db2.gz SZBOQHQJTFNJGO-UHFFFAOYSA-N 1 1 324.341 -2.021 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001401367978 924859353 /nfs/dbraw/zinc/85/93/53/924859353.db2.gz SZBOQHQJTFNJGO-UHFFFAOYSA-N 1 1 324.341 -2.021 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnon3)CC[C@H]21 ZINC001401474658 924859773 /nfs/dbraw/zinc/85/97/73/924859773.db2.gz DTSQJDBMIDKDDL-PSASIEDQSA-N 1 1 322.325 -1.199 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001401475338 924860343 /nfs/dbraw/zinc/86/03/43/924860343.db2.gz FCFRHZDQYSAZHS-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ccn[nH]1 ZINC001401485488 924862103 /nfs/dbraw/zinc/86/21/03/924862103.db2.gz HKCMFCPGBGSREJ-VIFPVBQESA-N 1 1 321.341 -1.588 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1ccn[nH]1 ZINC001401485477 924862792 /nfs/dbraw/zinc/86/27/92/924862792.db2.gz HKCMFCPGBGSREJ-SECBINFHSA-N 1 1 321.341 -1.588 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)C(F)F ZINC001401492346 924865094 /nfs/dbraw/zinc/86/50/94/924865094.db2.gz PPWSCCBMHUHBTA-SSDOTTSWSA-N 1 1 305.285 -1.360 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1ccnn1)c1nncn1C ZINC001401491431 924865127 /nfs/dbraw/zinc/86/51/27/924865127.db2.gz NKEUCEYYAGQRBC-QWRGUYRKSA-N 1 1 322.373 -1.375 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001401490487 924865169 /nfs/dbraw/zinc/86/51/69/924865169.db2.gz KDFNCDZUHSKNOJ-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cn[nH]c1 ZINC001401492291 924865554 /nfs/dbraw/zinc/86/55/54/924865554.db2.gz PZDXPGRKCZVADE-JTQLQIEISA-N 1 1 321.341 -1.588 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001401492804 924865569 /nfs/dbraw/zinc/86/55/69/924865569.db2.gz OOEZRTXQONXDGU-VIFPVBQESA-N 1 1 306.330 -1.811 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1nnnn1C1CC1 ZINC001401492502 924865683 /nfs/dbraw/zinc/86/56/83/924865683.db2.gz IDTRPGLZGPQXTL-RYUDHWBXSA-N 1 1 323.401 -1.331 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001401497292 924866584 /nfs/dbraw/zinc/86/65/84/924866584.db2.gz UZBANUNQZNAHLA-QPUJVOFHSA-N 1 1 324.385 -1.281 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001401497301 924866722 /nfs/dbraw/zinc/86/67/22/924866722.db2.gz UZBANUNQZNAHLA-UFBFGSQYSA-N 1 1 324.385 -1.281 20 0 DAADMO CCn1cc(CNC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001401497972 924866986 /nfs/dbraw/zinc/86/69/86/924866986.db2.gz NBYUHASXQYRFRL-QWHCGFSZSA-N 1 1 310.402 -1.041 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001401497282 924867233 /nfs/dbraw/zinc/86/72/33/924867233.db2.gz UZBANUNQZNAHLA-PRHODGIISA-N 1 1 324.385 -1.281 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)no1 ZINC001401496658 924867634 /nfs/dbraw/zinc/86/76/34/924867634.db2.gz AFIDIJJDQPXCIA-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001401501669 924868400 /nfs/dbraw/zinc/86/84/00/924868400.db2.gz WQKZPVUQLCZQSN-SECBINFHSA-N 1 1 305.360 -2.574 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)C1 ZINC001401499470 924869654 /nfs/dbraw/zinc/86/96/54/924869654.db2.gz YMIWROPUSQNQCF-JTQLQIEISA-N 1 1 313.383 -1.417 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)cnn1C ZINC001401505356 924870585 /nfs/dbraw/zinc/87/05/85/924870585.db2.gz HUOOIHCZXWMMTM-SCZZXKLOSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)nc1 ZINC001401507409 924870824 /nfs/dbraw/zinc/87/08/24/924870824.db2.gz MRLXZNAEWQJDBQ-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n(C)n1 ZINC001401503341 924870958 /nfs/dbraw/zinc/87/09/58/924870958.db2.gz XOWFBDJUGYPWOC-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)n1 ZINC001401505708 924870994 /nfs/dbraw/zinc/87/09/94/924870994.db2.gz KEPMZGQWBWOGHM-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc(C)o2)n1 ZINC001401504831 924871058 /nfs/dbraw/zinc/87/10/58/924871058.db2.gz JFAPWTUNONRKEF-LLVKDONJSA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nnn1C ZINC001401505427 924871361 /nfs/dbraw/zinc/87/13/61/924871361.db2.gz JVNHXYNCMKKJMM-JTQLQIEISA-N 1 1 308.346 -1.867 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC(=O)C2)n1 ZINC001401513451 924874015 /nfs/dbraw/zinc/87/40/15/924874015.db2.gz MOGARNHDDVWSLT-GXSJLCMTSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401515378 924874519 /nfs/dbraw/zinc/87/45/19/924874519.db2.gz XCCLDZZTVHZWDN-JTQLQIEISA-N 1 1 320.357 -1.080 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001401515004 924874611 /nfs/dbraw/zinc/87/46/11/924874611.db2.gz VGVSNXNIHSAWSA-NSHDSACASA-N 1 1 324.385 -1.329 20 0 DAADMO Cc1cccnc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001401516288 924874795 /nfs/dbraw/zinc/87/47/95/924874795.db2.gz YPSUDCIZMKGIND-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)oc1C ZINC001401517317 924875770 /nfs/dbraw/zinc/87/57/70/924875770.db2.gz WOOPBRLGKBBVCS-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO O=C(CCn1ccccc1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001401535944 924876510 /nfs/dbraw/zinc/87/65/10/924876510.db2.gz FRSVTPHSCAEPCP-LBPRGKRZSA-N 1 1 321.337 -1.112 20 0 DAADMO Cn1nnnc1CNC[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401536062 924876800 /nfs/dbraw/zinc/87/68/00/924876800.db2.gz IJNVBEORPBARNM-WDEREUQCSA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1nnnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401536056 924877818 /nfs/dbraw/zinc/87/78/18/924877818.db2.gz IJNVBEORPBARNM-MNOVXSKESA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001401534958 924877865 /nfs/dbraw/zinc/87/78/65/924877865.db2.gz DEADWBORFOSXLR-NSHDSACASA-N 1 1 322.373 -1.939 20 0 DAADMO Cn1nnnc1CNC[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001401536054 924878247 /nfs/dbraw/zinc/87/82/47/924878247.db2.gz IJNVBEORPBARNM-GHMZBOCLSA-N 1 1 311.390 -1.739 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2cn(C)nc2C)[nH]1 ZINC001401547063 924881396 /nfs/dbraw/zinc/88/13/96/924881396.db2.gz VTQNCZDODWOWGR-LBPRGKRZSA-N 1 1 321.385 -1.036 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CC1=O ZINC001401546809 924881512 /nfs/dbraw/zinc/88/15/12/924881512.db2.gz UPQTXLIROSHQLC-RKDXNWHRSA-N 1 1 311.346 -2.745 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC1(F)F ZINC001401547050 924881794 /nfs/dbraw/zinc/88/17/94/924881794.db2.gz WJTTZAHYAQJMJB-JGVFFNPUSA-N 1 1 304.301 -1.178 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1ccnc1)c1nnnn1C ZINC001401545255 924881967 /nfs/dbraw/zinc/88/19/67/924881967.db2.gz CRFAFLZHXRRJND-MNOVXSKESA-N 1 1 322.373 -1.375 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC1(F)F ZINC001401547053 924882863 /nfs/dbraw/zinc/88/28/63/924882863.db2.gz WJTTZAHYAQJMJB-SFYZADRCSA-N 1 1 304.301 -1.178 20 0 DAADMO COc1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)c(C)n1 ZINC001401551008 924883811 /nfs/dbraw/zinc/88/38/11/924883811.db2.gz DAMIYTDUTGFHRM-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001401549219 924883837 /nfs/dbraw/zinc/88/38/37/924883837.db2.gz XQJIRDDCKRYMPB-RYUDHWBXSA-N 1 1 321.381 -1.088 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001401549213 924884342 /nfs/dbraw/zinc/88/43/42/924884342.db2.gz XQJIRDDCKRYMPB-NWDGAFQWSA-N 1 1 321.381 -1.088 20 0 DAADMO COc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)co1 ZINC001401550784 924884472 /nfs/dbraw/zinc/88/44/72/924884472.db2.gz QDDVMYIRAAQZKW-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1cc(OCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001401549048 924884718 /nfs/dbraw/zinc/88/47/18/924884718.db2.gz YAIGHIGLMLBNCQ-NSHDSACASA-N 1 1 324.341 -1.243 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001401548045 924884813 /nfs/dbraw/zinc/88/48/13/924884813.db2.gz AIBSNKAGZQQIHW-UWVGGRQHSA-N 1 1 312.370 -1.414 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001401552512 924886644 /nfs/dbraw/zinc/88/66/44/924886644.db2.gz BYMCAJJQZDMDFX-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1 ZINC001401553641 924886788 /nfs/dbraw/zinc/88/67/88/924886788.db2.gz INYISNAHYQURFG-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)[C@@H]1CCNC(=O)CC1 ZINC001401555578 924887451 /nfs/dbraw/zinc/88/74/51/924887451.db2.gz YAKWEVMOSMNSHA-NWDGAFQWSA-N 1 1 321.381 -1.040 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCNC(=O)CC1 ZINC001401555577 924888654 /nfs/dbraw/zinc/88/86/54/924888654.db2.gz YAKWEVMOSMNSHA-NEPJUHHUSA-N 1 1 321.381 -1.040 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401560965 924890769 /nfs/dbraw/zinc/89/07/69/924890769.db2.gz UXSZRIXBLIMSIQ-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO O=C(C[C@H]1CCC(=O)NC1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001401560986 924890791 /nfs/dbraw/zinc/89/07/91/924890791.db2.gz UYKUSIGAMAZTOW-KOLCDFICSA-N 1 1 311.342 -1.447 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)cc1=O ZINC001401564006 924892149 /nfs/dbraw/zinc/89/21/49/924892149.db2.gz DSAIHHNLONLSAQ-ZDUSSCGKSA-N 1 1 319.365 -1.082 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001401564782 924892433 /nfs/dbraw/zinc/89/24/33/924892433.db2.gz WWRZFNGTFNIZBG-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001401564782 924892441 /nfs/dbraw/zinc/89/24/41/924892441.db2.gz WWRZFNGTFNIZBG-RYUDHWBXSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 ZINC001401562195 924892829 /nfs/dbraw/zinc/89/28/29/924892829.db2.gz WOQWQTHKHVEIQF-LOWDOPEQSA-N 1 1 309.370 -1.051 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001401561437 924892957 /nfs/dbraw/zinc/89/29/57/924892957.db2.gz VPLWQYACIOTGRO-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001401563880 924893033 /nfs/dbraw/zinc/89/30/33/924893033.db2.gz OYXYKUUECUKUKC-QWHCGFSZSA-N 1 1 323.397 -1.236 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001401567574 924894019 /nfs/dbraw/zinc/89/40/19/924894019.db2.gz FEGOVVVCABCZML-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001401567850 924894420 /nfs/dbraw/zinc/89/44/20/924894420.db2.gz NXEMATLWERLUHQ-QWRGUYRKSA-N 1 1 312.374 -1.407 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001401566099 924894536 /nfs/dbraw/zinc/89/45/36/924894536.db2.gz AJGHBNAZFXOEIL-ZJUUUORDSA-N 1 1 312.374 -1.258 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001401566099 924894544 /nfs/dbraw/zinc/89/45/44/924894544.db2.gz AJGHBNAZFXOEIL-ZJUUUORDSA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001401565282 924894862 /nfs/dbraw/zinc/89/48/62/924894862.db2.gz LUTZNJUGMOTIMX-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401566344 924895044 /nfs/dbraw/zinc/89/50/44/924895044.db2.gz GPBYHDOZGZRJHG-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401565466 924895301 /nfs/dbraw/zinc/89/53/01/924895301.db2.gz YBAQURHHDWZCCW-JTQLQIEISA-N 1 1 320.357 -1.080 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401566212 924895632 /nfs/dbraw/zinc/89/56/32/924895632.db2.gz ZHVAXGYVAHFLOR-BBBLOLIVSA-N 1 1 310.358 -2.014 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cncn2C)[nH]1 ZINC001401570220 924896561 /nfs/dbraw/zinc/89/65/61/924896561.db2.gz BGBBLOJMOVXENU-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001401571878 924896805 /nfs/dbraw/zinc/89/68/05/924896805.db2.gz DNFQECBJONSUDK-JTQLQIEISA-N 1 1 312.374 -1.704 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001401571882 924896829 /nfs/dbraw/zinc/89/68/29/924896829.db2.gz DNFQECBJONSUDK-SNVBAGLBSA-N 1 1 312.374 -1.704 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001401578253 924898899 /nfs/dbraw/zinc/89/88/99/924898899.db2.gz IQEFELBMTSXWHE-QWRGUYRKSA-N 1 1 324.385 -1.296 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001401582694 924900675 /nfs/dbraw/zinc/90/06/75/924900675.db2.gz IDXAVWQTCIRWSQ-SECBINFHSA-N 1 1 319.387 -2.184 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cncn1)c1nncn1C ZINC001401579847 924901746 /nfs/dbraw/zinc/90/17/46/924901746.db2.gz TYHHBODJUYZMNW-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1ncc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001401588962 924904003 /nfs/dbraw/zinc/90/40/03/924904003.db2.gz TVMYMGMYINFXSU-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001401587984 924904449 /nfs/dbraw/zinc/90/44/49/924904449.db2.gz XQMLKMSVTJDTBT-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001401587984 924904451 /nfs/dbraw/zinc/90/44/51/924904451.db2.gz XQMLKMSVTJDTBT-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)Cn2cnnn2)n1 ZINC001401608665 924905670 /nfs/dbraw/zinc/90/56/70/924905670.db2.gz YTUSWOUBNRPJHQ-SECBINFHSA-N 1 1 307.362 -1.113 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CN1CCCC1=O ZINC001401605655 924906297 /nfs/dbraw/zinc/90/62/97/924906297.db2.gz OPOVYOYOHMYVJW-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CC1CS(=O)(=O)C1 ZINC001401633994 924907064 /nfs/dbraw/zinc/90/70/64/924907064.db2.gz UUMFOPJECVSTJY-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1cnn[nH]1 ZINC001401631341 924907350 /nfs/dbraw/zinc/90/73/50/924907350.db2.gz FJYYNPXVJSYCBX-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001401629702 924907473 /nfs/dbraw/zinc/90/74/73/924907473.db2.gz DXZPFVTWZOCKOS-SNVBAGLBSA-N 1 1 322.373 -1.512 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001401624486 924908572 /nfs/dbraw/zinc/90/85/72/924908572.db2.gz JJRJBEHBAVNKHU-MRVPVSSYSA-N 1 1 318.403 -1.401 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401637397 924909967 /nfs/dbraw/zinc/90/99/67/924909967.db2.gz UMLPLPAXTTUIIF-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH2+]Cc1ncccn1)C(N)=O ZINC001401654480 924910114 /nfs/dbraw/zinc/91/01/14/924910114.db2.gz YFQGVKODFBSPTC-KOLCDFICSA-N 1 1 322.369 -1.549 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001401671807 924911982 /nfs/dbraw/zinc/91/19/82/924911982.db2.gz PJZNXSPKNBJQJU-ZJUUUORDSA-N 1 1 319.373 -1.342 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C)S(C)(=O)=O ZINC001401692472 924913858 /nfs/dbraw/zinc/91/38/58/924913858.db2.gz KCGAKGKOYMHAIQ-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CN1CCCS1(=O)=O ZINC001401687521 924914588 /nfs/dbraw/zinc/91/45/88/924914588.db2.gz KQFUMAJHOKDNLE-VIFPVBQESA-N 1 1 317.371 -1.301 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC(=O)N1C)c1nnnn1C ZINC001401699082 924914604 /nfs/dbraw/zinc/91/46/04/924914604.db2.gz SRWCXSVLNXPPMV-IVZWLZJFSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401698002 924914655 /nfs/dbraw/zinc/91/46/55/924914655.db2.gz ABHYVCOMNVTAAY-IUCAKERBSA-N 1 1 313.337 -1.477 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)COCc1nccn1C ZINC001401692341 924914854 /nfs/dbraw/zinc/91/48/54/924914854.db2.gz SRWMCHGMQUKUSC-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCCNC1=O ZINC001401693773 924915480 /nfs/dbraw/zinc/91/54/80/924915480.db2.gz SQVXJWGBGRPXAW-VIFPVBQESA-N 1 1 310.362 -1.780 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001401719289 924916359 /nfs/dbraw/zinc/91/63/59/924916359.db2.gz KHVFREPTEVSPRK-ZETCQYMHSA-N 1 1 304.376 -1.743 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401707894 924916458 /nfs/dbraw/zinc/91/64/58/924916458.db2.gz OGCQJQINACOQJO-LPEHRKFASA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CCS(=O)(=O)N(C)C ZINC001401720790 924916576 /nfs/dbraw/zinc/91/65/76/924916576.db2.gz PEMWEPQMNCPELT-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCC(=O)NC1=O ZINC001401710481 924916599 /nfs/dbraw/zinc/91/65/99/924916599.db2.gz IDQJIMOJSBQWAY-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO COc1ncc(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)cn1 ZINC001401708832 924917375 /nfs/dbraw/zinc/91/73/75/924917375.db2.gz PTURAHLQJXCZPA-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401726401 924918141 /nfs/dbraw/zinc/91/81/41/924918141.db2.gz ACLROUFBVNEYCS-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401726401 924918146 /nfs/dbraw/zinc/91/81/46/924918146.db2.gz ACLROUFBVNEYCS-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001401747491 924918202 /nfs/dbraw/zinc/91/82/02/924918202.db2.gz IIAQGDJRLXGCPQ-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001401747491 924918208 /nfs/dbraw/zinc/91/82/08/924918208.db2.gz IIAQGDJRLXGCPQ-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001401749274 924918524 /nfs/dbraw/zinc/91/85/24/924918524.db2.gz YEZNRDFIYXOJJL-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001401749274 924918533 /nfs/dbraw/zinc/91/85/33/924918533.db2.gz YEZNRDFIYXOJJL-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401742554 924918546 /nfs/dbraw/zinc/91/85/46/924918546.db2.gz FJDCCAZTSUPYCW-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401742554 924918553 /nfs/dbraw/zinc/91/85/53/924918553.db2.gz FJDCCAZTSUPYCW-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001401726423 924918690 /nfs/dbraw/zinc/91/86/90/924918690.db2.gz AKZXLVDBFZASEG-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001401726423 924918698 /nfs/dbraw/zinc/91/86/98/924918698.db2.gz AKZXLVDBFZASEG-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001401742737 924920001 /nfs/dbraw/zinc/92/00/01/924920001.db2.gz UVCJUQQOWZDDNL-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001401742737 924920006 /nfs/dbraw/zinc/92/00/06/924920006.db2.gz UVCJUQQOWZDDNL-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001401785980 924920767 /nfs/dbraw/zinc/92/07/67/924920767.db2.gz SGJODWPMRDMVAC-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001401785980 924920773 /nfs/dbraw/zinc/92/07/73/924920773.db2.gz SGJODWPMRDMVAC-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001401792594 924920955 /nfs/dbraw/zinc/92/09/55/924920955.db2.gz KWAKIQCELOQDMG-QWRGUYRKSA-N 1 1 309.432 -1.011 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401773572 924921564 /nfs/dbraw/zinc/92/15/64/924921564.db2.gz OQJAVSOAFHIJCN-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401773572 924921575 /nfs/dbraw/zinc/92/15/75/924921575.db2.gz OQJAVSOAFHIJCN-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001401785987 924921888 /nfs/dbraw/zinc/92/18/88/924921888.db2.gz SGJODWPMRDMVAC-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001401785987 924921893 /nfs/dbraw/zinc/92/18/93/924921893.db2.gz SGJODWPMRDMVAC-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001401784960 924921995 /nfs/dbraw/zinc/92/19/95/924921995.db2.gz NHNVUHOVJMXWKH-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001401784960 924921997 /nfs/dbraw/zinc/92/19/97/924921997.db2.gz NHNVUHOVJMXWKH-WDEREUQCSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401773575 924922004 /nfs/dbraw/zinc/92/20/04/924922004.db2.gz OQJAVSOAFHIJCN-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401773575 924922006 /nfs/dbraw/zinc/92/20/06/924922006.db2.gz OQJAVSOAFHIJCN-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795321 924922106 /nfs/dbraw/zinc/92/21/06/924922106.db2.gz QYWLYEMZTUGILX-RKDXNWHRSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795321 924922109 /nfs/dbraw/zinc/92/21/09/924922109.db2.gz QYWLYEMZTUGILX-RKDXNWHRSA-N 1 1 322.431 -1.376 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001401797324 924922126 /nfs/dbraw/zinc/92/21/26/924922126.db2.gz MROMLGOHPJQLSZ-HTQZYQBOSA-N 1 1 312.330 -1.036 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001401797324 924922131 /nfs/dbraw/zinc/92/21/31/924922131.db2.gz MROMLGOHPJQLSZ-HTQZYQBOSA-N 1 1 312.330 -1.036 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001401761273 924922238 /nfs/dbraw/zinc/92/22/38/924922238.db2.gz INORYRYJYWVTAH-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001401797326 924922278 /nfs/dbraw/zinc/92/22/78/924922278.db2.gz MROMLGOHPJQLSZ-SFYZADRCSA-N 1 1 312.330 -1.036 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001401797326 924922281 /nfs/dbraw/zinc/92/22/81/924922281.db2.gz MROMLGOHPJQLSZ-SFYZADRCSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795298 924922484 /nfs/dbraw/zinc/92/24/84/924922484.db2.gz QYWLYEMZTUGILX-BDAKNGLRSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795298 924922491 /nfs/dbraw/zinc/92/24/91/924922491.db2.gz QYWLYEMZTUGILX-BDAKNGLRSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001401785985 924922695 /nfs/dbraw/zinc/92/26/95/924922695.db2.gz SGJODWPMRDMVAC-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001401785985 924922702 /nfs/dbraw/zinc/92/27/02/924922702.db2.gz SGJODWPMRDMVAC-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001401803778 924923055 /nfs/dbraw/zinc/92/30/55/924923055.db2.gz IZTRLELAZXMLOK-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nonc1C ZINC001401818244 924923296 /nfs/dbraw/zinc/92/32/96/924923296.db2.gz KBQQMUULGOSIRF-SSDOTTSWSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nonc1C ZINC001401818244 924923305 /nfs/dbraw/zinc/92/33/05/924923305.db2.gz KBQQMUULGOSIRF-SSDOTTSWSA-N 1 1 312.330 -1.116 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001401845992 924924404 /nfs/dbraw/zinc/92/44/04/924924404.db2.gz CLCMVBZOQNDNMA-VHSXEESVSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001401846171 924925204 /nfs/dbraw/zinc/92/52/04/924925204.db2.gz DJHPWVXKLBBZGH-GHMZBOCLSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401854385 924925807 /nfs/dbraw/zinc/92/58/07/924925807.db2.gz ZMJJZDUTOIRNTM-ZJUUUORDSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001401854374 924925824 /nfs/dbraw/zinc/92/58/24/924925824.db2.gz ZMJJZDUTOIRNTM-NXEZZACHSA-N 1 1 307.358 -1.519 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001401873656 924926789 /nfs/dbraw/zinc/92/67/89/924926789.db2.gz DVFOHEVWJJABLW-ZIAGYGMSSA-N 1 1 323.397 -1.087 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001401884481 924927810 /nfs/dbraw/zinc/92/78/10/924927810.db2.gz SEISFZSUJAMWHT-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001401884481 924927816 /nfs/dbraw/zinc/92/78/16/924927816.db2.gz SEISFZSUJAMWHT-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001401882154 924928134 /nfs/dbraw/zinc/92/81/34/924928134.db2.gz XZIZFZWUAUQSTM-KXUCPTDWSA-N 1 1 307.358 -1.684 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001401884477 924928167 /nfs/dbraw/zinc/92/81/67/924928167.db2.gz SEISFZSUJAMWHT-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001401884477 924928178 /nfs/dbraw/zinc/92/81/78/924928178.db2.gz SEISFZSUJAMWHT-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001401890410 924929355 /nfs/dbraw/zinc/92/93/55/924929355.db2.gz XREGPRWROYOTIV-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001401890410 924929360 /nfs/dbraw/zinc/92/93/60/924929360.db2.gz XREGPRWROYOTIV-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001401894101 924929874 /nfs/dbraw/zinc/92/98/74/924929874.db2.gz YHPQSKBQRQFZHO-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401911050 924930447 /nfs/dbraw/zinc/93/04/47/924930447.db2.gz DGUVMUKMOMKXBY-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401911064 924930985 /nfs/dbraw/zinc/93/09/85/924930985.db2.gz DGUVMUKMOMKXBY-QWHCGFSZSA-N 1 1 311.386 -1.055 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001401899037 924931424 /nfs/dbraw/zinc/93/14/24/924931424.db2.gz VRVLMIFZXMIIAA-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001401899037 924931428 /nfs/dbraw/zinc/93/14/28/924931428.db2.gz VRVLMIFZXMIIAA-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001401927666 924932958 /nfs/dbraw/zinc/93/29/58/924932958.db2.gz QEBDFMMYWAVIEF-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001401927666 924932963 /nfs/dbraw/zinc/93/29/63/924932963.db2.gz QEBDFMMYWAVIEF-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916977 924932981 /nfs/dbraw/zinc/93/29/81/924932981.db2.gz NWXCHKLZEVFQDI-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916977 924932989 /nfs/dbraw/zinc/93/29/89/924932989.db2.gz NWXCHKLZEVFQDI-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001401917240 924933602 /nfs/dbraw/zinc/93/36/02/924933602.db2.gz FTOPWBZVQDYXNI-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001401917240 924933610 /nfs/dbraw/zinc/93/36/10/924933610.db2.gz FTOPWBZVQDYXNI-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cnccc1=O ZINC001401926307 924934375 /nfs/dbraw/zinc/93/43/75/924934375.db2.gz PGFPLOXBRDZHTL-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001401997519 924939627 /nfs/dbraw/zinc/93/96/27/924939627.db2.gz AAICLXPBGMOCSG-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001402016544 924940333 /nfs/dbraw/zinc/94/03/33/924940333.db2.gz OYZOXCVYQOGXSY-GFCCVEGCSA-N 1 1 317.386 -1.759 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001402035591 924941281 /nfs/dbraw/zinc/94/12/81/924941281.db2.gz DOHKQUJQEMMVQU-LLVKDONJSA-N 1 1 312.370 -1.513 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2ccccc2=O)C1 ZINC001402041535 924942178 /nfs/dbraw/zinc/94/21/78/924942178.db2.gz UZLGRZGQOCHCIT-CYBMUJFWSA-N 1 1 309.366 -1.002 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001402083019 924943741 /nfs/dbraw/zinc/94/37/41/924943741.db2.gz QRWZRBCRSUQBNM-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079708 924943758 /nfs/dbraw/zinc/94/37/58/924943758.db2.gz KWZYIXMTVCYPRW-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079708 924943761 /nfs/dbraw/zinc/94/37/61/924943761.db2.gz KWZYIXMTVCYPRW-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@H+]1CC[C@H](N2CCN(C(=O)CS(=O)(=O)NC)CC2)C1 ZINC001402098610 924945161 /nfs/dbraw/zinc/94/51/61/924945161.db2.gz AXAXCCITZYBUPA-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001402094788 924945411 /nfs/dbraw/zinc/94/54/11/924945411.db2.gz WSZVEBKUUWZMHD-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001402118859 924946357 /nfs/dbraw/zinc/94/63/57/924946357.db2.gz FVQWYCIYTAXDQD-CQSZACIVSA-N 1 1 311.386 -1.147 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)OC)C1 ZINC001402137040 924946716 /nfs/dbraw/zinc/94/67/16/924946716.db2.gz POTUMIDEFVTQJY-CMPLNLGQSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)c2ccccn2)CC[N@H+](CC(N)=O)C1 ZINC001402132739 924947139 /nfs/dbraw/zinc/94/71/39/924947139.db2.gz VNKUYAMYZLQXEF-HNNXBMFYSA-N 1 1 319.365 -1.123 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)c2ccccn2)CC[N@@H+](CC(N)=O)C1 ZINC001402132739 924947145 /nfs/dbraw/zinc/94/71/45/924947145.db2.gz VNKUYAMYZLQXEF-HNNXBMFYSA-N 1 1 319.365 -1.123 20 0 DAADMO C[C@]1(NC(=O)CCNC(N)=O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402131555 924947185 /nfs/dbraw/zinc/94/71/85/924947185.db2.gz IUSBRPYGRBNZGF-YGRLFVJLSA-N 1 1 311.386 -1.096 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001402137067 924947201 /nfs/dbraw/zinc/94/72/01/924947201.db2.gz POTUMIDEFVTQJY-ZYHUDNBSSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402131523 924947453 /nfs/dbraw/zinc/94/74/53/924947453.db2.gz IUSBRPYGRBNZGF-IINYFYTJSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402137653 924947584 /nfs/dbraw/zinc/94/75/84/924947584.db2.gz YKLZHWCDBMMSNV-IINYFYTJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402130712 924947673 /nfs/dbraw/zinc/94/76/73/924947673.db2.gz QXHBYJZYFUISLK-AWEZNQCLSA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402130712 924947681 /nfs/dbraw/zinc/94/76/81/924947681.db2.gz QXHBYJZYFUISLK-AWEZNQCLSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@@]1(NC(=O)Cn2cncn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402146561 924948780 /nfs/dbraw/zinc/94/87/80/924948780.db2.gz XMPVRUMEOOCVIS-CQSZACIVSA-N 1 1 321.385 -1.116 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001402165108 924949840 /nfs/dbraw/zinc/94/98/40/924949840.db2.gz LLGLLXVIONYGBS-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@]1(CNC(=O)Cn2cnc(C(N)=O)n2)CCC[N@@H+](CCO)C1 ZINC001402204828 924950406 /nfs/dbraw/zinc/95/04/06/924950406.db2.gz GXHGNHDNIVTMCH-CQSZACIVSA-N 1 1 324.385 -1.412 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001402172864 924950528 /nfs/dbraw/zinc/95/05/28/924950528.db2.gz LLPFUEOJVRRLBZ-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001402172864 924950533 /nfs/dbraw/zinc/95/05/33/924950533.db2.gz LLPFUEOJVRRLBZ-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001402183658 924950924 /nfs/dbraw/zinc/95/09/24/924950924.db2.gz KLSNEKFIEKSHAM-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402183658 924950934 /nfs/dbraw/zinc/95/09/34/924950934.db2.gz KLSNEKFIEKSHAM-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001402172868 924951792 /nfs/dbraw/zinc/95/17/92/924951792.db2.gz LLPFUEOJVRRLBZ-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001402172868 924951803 /nfs/dbraw/zinc/95/18/03/924951803.db2.gz LLPFUEOJVRRLBZ-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001402172858 924951915 /nfs/dbraw/zinc/95/19/15/924951915.db2.gz LLPFUEOJVRRLBZ-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001402172858 924951921 /nfs/dbraw/zinc/95/19/21/924951921.db2.gz LLPFUEOJVRRLBZ-BDAKNGLRSA-N 1 1 313.358 -1.714 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215096 924952161 /nfs/dbraw/zinc/95/21/61/924952161.db2.gz QSROGLMEQAAKGU-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001402215096 924952168 /nfs/dbraw/zinc/95/21/68/924952168.db2.gz QSROGLMEQAAKGU-LBPRGKRZSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2nnn(C)n2)C1 ZINC001402197452 924952403 /nfs/dbraw/zinc/95/24/03/924952403.db2.gz ZYHYTDJFBCMZCU-CYBMUJFWSA-N 1 1 324.389 -1.533 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253395 924952631 /nfs/dbraw/zinc/95/26/31/924952631.db2.gz XFDOVTZGGHGFDX-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253395 924952639 /nfs/dbraw/zinc/95/26/39/924952639.db2.gz XFDOVTZGGHGFDX-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO COc1ccc(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)nc1 ZINC001402264415 924955023 /nfs/dbraw/zinc/95/50/23/924955023.db2.gz KPWGZGGTUYLKKQ-OAHLLOKOSA-N 1 1 322.365 -1.329 20 0 DAADMO COc1ccc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)nc1 ZINC001402264415 924955028 /nfs/dbraw/zinc/95/50/28/924955028.db2.gz KPWGZGGTUYLKKQ-OAHLLOKOSA-N 1 1 322.365 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nn(C)cc2C)C1 ZINC001402260694 924955657 /nfs/dbraw/zinc/95/56/57/924955657.db2.gz ASPYLVUQCXVFOF-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nn(C)cc2C)C1 ZINC001402260694 924955661 /nfs/dbraw/zinc/95/56/61/924955661.db2.gz ASPYLVUQCXVFOF-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402263052 924955774 /nfs/dbraw/zinc/95/57/74/924955774.db2.gz FABJDDCBGRXVRY-AWEZNQCLSA-N 1 1 309.370 -1.691 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402263052 924955778 /nfs/dbraw/zinc/95/57/78/924955778.db2.gz FABJDDCBGRXVRY-AWEZNQCLSA-N 1 1 309.370 -1.691 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402265595 924956223 /nfs/dbraw/zinc/95/62/23/924956223.db2.gz HFFDOYUOVKLDCN-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402261410 924956318 /nfs/dbraw/zinc/95/63/18/924956318.db2.gz DPRLUMRPRNEHNX-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402261410 924956325 /nfs/dbraw/zinc/95/63/25/924956325.db2.gz DPRLUMRPRNEHNX-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2=CCCC2)C1 ZINC001402263049 924956359 /nfs/dbraw/zinc/95/63/59/924956359.db2.gz JQPTXWYFCGMQTM-CQSZACIVSA-N 1 1 310.354 -1.155 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=CCCC2)C1 ZINC001402263049 924956367 /nfs/dbraw/zinc/95/63/67/924956367.db2.gz JQPTXWYFCGMQTM-CQSZACIVSA-N 1 1 310.354 -1.155 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001402264326 924956390 /nfs/dbraw/zinc/95/63/90/924956390.db2.gz KKIJQJUQVHGIGF-CQSZACIVSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001402264326 924956397 /nfs/dbraw/zinc/95/63/97/924956397.db2.gz KKIJQJUQVHGIGF-CQSZACIVSA-N 1 1 310.354 -1.142 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)on1 ZINC001402263102 924956422 /nfs/dbraw/zinc/95/64/22/924956422.db2.gz DEVTXPOMLBDATM-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)on1 ZINC001402263102 924956428 /nfs/dbraw/zinc/95/64/28/924956428.db2.gz DEVTXPOMLBDATM-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001402254900 924956499 /nfs/dbraw/zinc/95/64/99/924956499.db2.gz CPAGKAMDIZJTFR-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001402254900 924956503 /nfs/dbraw/zinc/95/65/03/924956503.db2.gz CPAGKAMDIZJTFR-HNNXBMFYSA-N 1 1 323.397 -1.119 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402253882 924956611 /nfs/dbraw/zinc/95/66/11/924956611.db2.gz AAQRDEWDUNHJDU-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402253882 924956615 /nfs/dbraw/zinc/95/66/15/924956615.db2.gz AAQRDEWDUNHJDU-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2nn(C)cc2C)C1 ZINC001402260690 924956791 /nfs/dbraw/zinc/95/67/91/924956791.db2.gz ASPYLVUQCXVFOF-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2nn(C)cc2C)C1 ZINC001402260690 924956797 /nfs/dbraw/zinc/95/67/97/924956797.db2.gz ASPYLVUQCXVFOF-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001402254886 924956968 /nfs/dbraw/zinc/95/69/68/924956968.db2.gz CGXPWMPGXKRHIS-SKDRFNHKSA-N 1 1 316.383 -1.288 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402266325 924957622 /nfs/dbraw/zinc/95/76/22/924957622.db2.gz DARJWUSMAKWRIA-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402266325 924957629 /nfs/dbraw/zinc/95/76/29/924957629.db2.gz DARJWUSMAKWRIA-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402269018 924957669 /nfs/dbraw/zinc/95/76/69/924957669.db2.gz RGUNLGXPNOVNON-IAQYHMDHSA-N 1 1 313.398 -1.021 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402267479 924957742 /nfs/dbraw/zinc/95/77/42/924957742.db2.gz KITFGVCMZDVHFG-PWSUYJOCSA-N 1 1 300.338 -1.026 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402267769 924958091 /nfs/dbraw/zinc/95/80/91/924958091.db2.gz JUKAXDCWFNUAIM-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402267769 924958098 /nfs/dbraw/zinc/95/80/98/924958098.db2.gz JUKAXDCWFNUAIM-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001402272771 924958372 /nfs/dbraw/zinc/95/83/72/924958372.db2.gz OWRUFGDSFKLVBB-FZMZJTMJSA-N 1 1 316.402 -1.371 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001402271110 924958492 /nfs/dbraw/zinc/95/84/92/924958492.db2.gz SLVLSNXAECDDQK-SMDDNHRTSA-N 1 1 307.354 -1.193 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)n1 ZINC001402268777 924958822 /nfs/dbraw/zinc/95/88/22/924958822.db2.gz RELLTRJXRHLYQA-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n(C)n1 ZINC001402268777 924958826 /nfs/dbraw/zinc/95/88/26/924958826.db2.gz RELLTRJXRHLYQA-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267826 924958989 /nfs/dbraw/zinc/95/89/89/924958989.db2.gz AFHAFPNTDMQIOW-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001402267826 924959001 /nfs/dbraw/zinc/95/90/01/924959001.db2.gz AFHAFPNTDMQIOW-NOZJJQNGSA-N 1 1 310.358 -1.884 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402267483 924959544 /nfs/dbraw/zinc/95/95/44/924959544.db2.gz KITFGVCMZDVHFG-ZYHUDNBSSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCOC1 ZINC001402267462 924959652 /nfs/dbraw/zinc/95/96/52/924959652.db2.gz RPCPVXFDWZEDPW-OCCSQVGLSA-N 1 1 309.370 -1.132 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)n1 ZINC001402268762 924959806 /nfs/dbraw/zinc/95/98/06/924959806.db2.gz RELLTRJXRHLYQA-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)n1 ZINC001402268762 924959809 /nfs/dbraw/zinc/95/98/09/924959809.db2.gz RELLTRJXRHLYQA-ABAIWWIYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1COC(=O)N1 ZINC001402273796 924960708 /nfs/dbraw/zinc/96/07/08/924960708.db2.gz ISJTVZNPNFXKDQ-RISCZKNCSA-N 1 1 323.353 -1.456 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402278643 924960843 /nfs/dbraw/zinc/96/08/43/924960843.db2.gz WPUNHIBGYFNVEO-BXUZGUMPSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402274409 924960916 /nfs/dbraw/zinc/96/09/16/924960916.db2.gz RZZVDPLVQUWJFE-YGRLFVJLSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001402273823 924960959 /nfs/dbraw/zinc/96/09/59/924960959.db2.gz BJICROFVLABHJV-IUODEOHRSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001402273823 924960966 /nfs/dbraw/zinc/96/09/66/924960966.db2.gz BJICROFVLABHJV-IUODEOHRSA-N 1 1 323.397 -1.073 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274848 924962010 /nfs/dbraw/zinc/96/20/10/924962010.db2.gz LCURXDIIRPWCFJ-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001402279483 924963102 /nfs/dbraw/zinc/96/31/02/924963102.db2.gz BATJSJSXJAQTLW-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001402279483 924963106 /nfs/dbraw/zinc/96/31/06/924963106.db2.gz BATJSJSXJAQTLW-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1)NC1CC1 ZINC001402283026 924963118 /nfs/dbraw/zinc/96/31/18/924963118.db2.gz WAHZJCUQBWNRJC-SWLSCSKDSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1)NC1CC1 ZINC001402283026 924963123 /nfs/dbraw/zinc/96/31/23/924963123.db2.gz WAHZJCUQBWNRJC-SWLSCSKDSA-N 1 1 311.382 -1.003 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001402281374 924963392 /nfs/dbraw/zinc/96/33/92/924963392.db2.gz GYCDKNFKFVNEKK-NHYWBVRUSA-N 1 1 309.366 -1.067 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001402279593 924964238 /nfs/dbraw/zinc/96/42/38/924964238.db2.gz GTZMMLRFYPCKGX-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402278709 924964442 /nfs/dbraw/zinc/96/44/42/924964442.db2.gz WPUNHIBGYFNVEO-SMDDNHRTSA-N 1 1 309.370 -1.231 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001402284608 924964521 /nfs/dbraw/zinc/96/45/21/924964521.db2.gz RNXLHRIHICOPQJ-CPCISQLKSA-N 1 1 320.296 -1.611 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001402284608 924964527 /nfs/dbraw/zinc/96/45/27/924964527.db2.gz RNXLHRIHICOPQJ-CPCISQLKSA-N 1 1 320.296 -1.611 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cn[nH]n1 ZINC001402280272 924964720 /nfs/dbraw/zinc/96/47/20/924964720.db2.gz QIGZVNQWLGXLGL-LBPRGKRZSA-N 1 1 306.330 -1.737 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001402280272 924964729 /nfs/dbraw/zinc/96/47/29/924964729.db2.gz QIGZVNQWLGXLGL-LBPRGKRZSA-N 1 1 306.330 -1.737 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnn[nH]1 ZINC001402280272 924964738 /nfs/dbraw/zinc/96/47/38/924964738.db2.gz QIGZVNQWLGXLGL-LBPRGKRZSA-N 1 1 306.330 -1.737 20 0 DAADMO COCC1(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402292032 924965659 /nfs/dbraw/zinc/96/56/59/924965659.db2.gz OICYJAHXTQUWRB-ABAIWWIYSA-N 1 1 311.382 -1.146 20 0 DAADMO COCC1(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001402292032 924965664 /nfs/dbraw/zinc/96/56/64/924965664.db2.gz OICYJAHXTQUWRB-ABAIWWIYSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001402288513 924965952 /nfs/dbraw/zinc/96/59/52/924965952.db2.gz IUUNLDCCQCNLGI-UFBFGSQYSA-N 1 1 302.306 -1.893 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001402288513 924965961 /nfs/dbraw/zinc/96/59/61/924965961.db2.gz IUUNLDCCQCNLGI-UFBFGSQYSA-N 1 1 302.306 -1.893 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001402287481 924966169 /nfs/dbraw/zinc/96/61/69/924966169.db2.gz URHNQNLGRPMDAM-YGRLFVJLSA-N 1 1 322.369 -1.740 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001402287217 924966329 /nfs/dbraw/zinc/96/63/29/924966329.db2.gz LFAUHEJSQXUIJX-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001402287217 924966335 /nfs/dbraw/zinc/96/63/35/924966335.db2.gz LFAUHEJSQXUIJX-LBPRGKRZSA-N 1 1 311.346 -2.638 20 0 DAADMO NC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402287131 924967097 /nfs/dbraw/zinc/96/70/97/924967097.db2.gz FSKKSTAMGVTRNL-IINYFYTJSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402287131 924967106 /nfs/dbraw/zinc/96/71/06/924967106.db2.gz FSKKSTAMGVTRNL-IINYFYTJSA-N 1 1 312.370 -1.917 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001402296298 924968283 /nfs/dbraw/zinc/96/82/83/924968283.db2.gz PFIKROSOURSAKY-BXUZGUMPSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001402300993 924968353 /nfs/dbraw/zinc/96/83/53/924968353.db2.gz XEGDWMVZJWFDCH-CQSZACIVSA-N 1 1 323.353 -1.683 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001402300993 924968358 /nfs/dbraw/zinc/96/83/58/924968358.db2.gz XEGDWMVZJWFDCH-CQSZACIVSA-N 1 1 323.353 -1.683 20 0 DAADMO O=C(CCN1CCOCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402294837 924969002 /nfs/dbraw/zinc/96/90/02/924969002.db2.gz UXAASPWMYATCHF-AWEZNQCLSA-N 1 1 301.387 -1.746 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)n(C)c1=O ZINC001402307919 924970199 /nfs/dbraw/zinc/97/01/99/924970199.db2.gz GVDNLARDODDUAN-CQSZACIVSA-N 1 1 312.370 -1.727 20 0 DAADMO O=C(CCn1cncn1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001402304235 924970246 /nfs/dbraw/zinc/97/02/46/924970246.db2.gz TYPLJICVGXZOHY-GFCCVEGCSA-N 1 1 309.370 -1.132 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)n(C)c1=O ZINC001402307745 924971274 /nfs/dbraw/zinc/97/12/74/924971274.db2.gz GVDNLARDODDUAN-AWEZNQCLSA-N 1 1 312.370 -1.727 20 0 DAADMO NC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001402304397 924971423 /nfs/dbraw/zinc/97/14/23/924971423.db2.gz QSLMKYKWBYXYIW-CQSZACIVSA-N 1 1 324.385 -1.513 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]([NH2+]Cc1cnon1)C1CC1 ZINC001402316389 924973046 /nfs/dbraw/zinc/97/30/46/924973046.db2.gz PTKDRRKLJDRZEY-LBPRGKRZSA-N 1 1 323.353 -1.087 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402312015 924973585 /nfs/dbraw/zinc/97/35/85/924973585.db2.gz ZFYHZNGZENXRLX-NWDGAFQWSA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402312015 924973590 /nfs/dbraw/zinc/97/35/90/924973590.db2.gz ZFYHZNGZENXRLX-NWDGAFQWSA-N 1 1 317.386 -2.513 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001402310827 924973770 /nfs/dbraw/zinc/97/37/70/924973770.db2.gz XUMZWJXZRJUEQT-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001402310827 924973777 /nfs/dbraw/zinc/97/37/77/924973777.db2.gz XUMZWJXZRJUEQT-CYBMUJFWSA-N 1 1 300.359 -2.059 20 0 DAADMO O=C(CCN1CCCC1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001402323045 924974254 /nfs/dbraw/zinc/97/42/54/924974254.db2.gz USIGKABGBUTAIA-HNNXBMFYSA-N 1 1 313.398 -1.066 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402319591 924974479 /nfs/dbraw/zinc/97/44/79/924974479.db2.gz RJQNYPJRKSAKOV-DOMZBBRYSA-N 1 1 321.381 -1.298 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402319591 924974490 /nfs/dbraw/zinc/97/44/90/924974490.db2.gz RJQNYPJRKSAKOV-DOMZBBRYSA-N 1 1 321.381 -1.298 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)n1cccn1 ZINC001402321660 924974595 /nfs/dbraw/zinc/97/45/95/924974595.db2.gz UKAMFNQKQPQBMQ-FZMZJTMJSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)n1cccn1 ZINC001402321660 924974604 /nfs/dbraw/zinc/97/46/04/924974604.db2.gz UKAMFNQKQPQBMQ-FZMZJTMJSA-N 1 1 309.370 -1.128 20 0 DAADMO O=C(CN1CCOCC1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001402324063 924974880 /nfs/dbraw/zinc/97/48/80/924974880.db2.gz FYFXGALCIOPCGI-CYBMUJFWSA-N 1 1 313.398 -1.482 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402324344 924975053 /nfs/dbraw/zinc/97/50/53/924975053.db2.gz RQIHXJVDWKSKPB-GHMZBOCLSA-N 1 1 323.401 -1.472 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402319597 924975209 /nfs/dbraw/zinc/97/52/09/924975209.db2.gz RJQNYPJRKSAKOV-WFASDCNBSA-N 1 1 321.381 -1.298 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402319597 924975218 /nfs/dbraw/zinc/97/52/18/924975218.db2.gz RJQNYPJRKSAKOV-WFASDCNBSA-N 1 1 321.381 -1.298 20 0 DAADMO C[C@@H](CC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)NC(N)=O ZINC001402334460 924980063 /nfs/dbraw/zinc/98/00/63/924980063.db2.gz JVUIFOLIUHFALU-QWRGUYRKSA-N 1 1 314.386 -1.367 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]([NH2+]Cc2ncnn2C)C2CC2)NC1=O ZINC001402339853 924982350 /nfs/dbraw/zinc/98/23/50/924982350.db2.gz WIIVKBKWWXARFO-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)NC1=O ZINC001402346317 924983840 /nfs/dbraw/zinc/98/38/40/924983840.db2.gz BLTQNQNDVTYZLQ-GHMZBOCLSA-N 1 1 312.370 -1.791 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001402357714 924985867 /nfs/dbraw/zinc/98/58/67/924985867.db2.gz ZNWWFRSWPYMHFM-NSHDSACASA-N 1 1 323.401 -1.643 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001402357710 924985948 /nfs/dbraw/zinc/98/59/48/924985948.db2.gz ZNWWFRSWPYMHFM-LLVKDONJSA-N 1 1 323.401 -1.643 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402354623 924986083 /nfs/dbraw/zinc/98/60/83/924986083.db2.gz OHLGSFGQOGVSSU-STQMWFEESA-N 1 1 315.414 -1.502 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001402359611 924987871 /nfs/dbraw/zinc/98/78/71/924987871.db2.gz RKFFKTNCISDVDM-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 ZINC001402372878 924990775 /nfs/dbraw/zinc/99/07/75/924990775.db2.gz PSPOJTWUXUOZSE-UHFFFAOYSA-N 1 1 321.443 -1.464 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001402394040 924992751 /nfs/dbraw/zinc/99/27/51/924992751.db2.gz VJFLPJMBLADAIT-UHFFFAOYSA-N 1 1 305.400 -1.501 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001402426479 924994516 /nfs/dbraw/zinc/99/45/16/924994516.db2.gz YYRPUUIHMWKQJK-TUAOUCFPSA-N 1 1 309.370 -1.255 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001402426479 924994524 /nfs/dbraw/zinc/99/45/24/924994524.db2.gz YYRPUUIHMWKQJK-TUAOUCFPSA-N 1 1 309.370 -1.255 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001402426479 924994527 /nfs/dbraw/zinc/99/45/27/924994527.db2.gz YYRPUUIHMWKQJK-TUAOUCFPSA-N 1 1 309.370 -1.255 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)N(C)C ZINC001402420002 924994537 /nfs/dbraw/zinc/99/45/37/924994537.db2.gz MTTFRIOZFVOQED-UTUOFQBUSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)N(C)C ZINC001402420002 924994544 /nfs/dbraw/zinc/99/45/44/924994544.db2.gz MTTFRIOZFVOQED-UTUOFQBUSA-N 1 1 319.427 -1.066 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001402435179 924994582 /nfs/dbraw/zinc/99/45/82/924994582.db2.gz FTXFNEDMOWAROG-SDDRHHMPSA-N 1 1 319.427 -1.303 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001402411839 924994965 /nfs/dbraw/zinc/99/49/65/924994965.db2.gz FFADFASNWANZPB-GRYCIOLGSA-N 1 1 310.358 -1.929 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001402435184 924995002 /nfs/dbraw/zinc/99/50/02/924995002.db2.gz FTXFNEDMOWAROG-UTUOFQBUSA-N 1 1 319.427 -1.303 20 0 DAADMO CNC(=O)C[NH2+]C1CCN(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001402430002 924995434 /nfs/dbraw/zinc/99/54/34/924995434.db2.gz GFCKMDBBDWFTTJ-UHFFFAOYSA-N 1 1 323.401 -1.737 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001402436222 924995911 /nfs/dbraw/zinc/99/59/11/924995911.db2.gz LVNRHEPDEIHYII-PHIMTYICSA-N 1 1 319.365 -1.090 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402439003 924996416 /nfs/dbraw/zinc/99/64/16/924996416.db2.gz HISYGBBCJDPUAK-RISCZKNCSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402439003 924996423 /nfs/dbraw/zinc/99/64/23/924996423.db2.gz HISYGBBCJDPUAK-RISCZKNCSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402438996 924996863 /nfs/dbraw/zinc/99/68/63/924996863.db2.gz HISYGBBCJDPUAK-BXUZGUMPSA-N 1 1 312.370 -2.046 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402438996 924996869 /nfs/dbraw/zinc/99/68/69/924996869.db2.gz HISYGBBCJDPUAK-BXUZGUMPSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001402458509 924998300 /nfs/dbraw/zinc/99/83/00/924998300.db2.gz ZUSGKEKIMOVLTR-MFKMUULPSA-N 1 1 302.375 -1.761 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)CC[N@H+]1C ZINC001402457292 924998907 /nfs/dbraw/zinc/99/89/07/924998907.db2.gz YBMXNUNXGAETKO-LALPHHSUSA-N 1 1 312.414 -1.245 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001402455989 924998944 /nfs/dbraw/zinc/99/89/44/924998944.db2.gz PNAWCSWHXZGLNW-HZMBPMFUSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402449333 924999752 /nfs/dbraw/zinc/99/97/52/924999752.db2.gz FFOVUNIKVFKBPG-CQSZACIVSA-N 1 1 311.386 -1.067 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001402455991 925000138 /nfs/dbraw/zinc/00/01/38/925000138.db2.gz PNAWCSWHXZGLNW-IINYFYTJSA-N 1 1 312.370 -1.064 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001402459275 925000169 /nfs/dbraw/zinc/00/01/69/925000169.db2.gz CKPYWQWOHOALHI-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001402472211 925001503 /nfs/dbraw/zinc/00/15/03/925001503.db2.gz ZKHFLKBKVSBJPE-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001402498446 925005369 /nfs/dbraw/zinc/00/53/69/925005369.db2.gz CKTFKJVKXLDQJO-MGCOHNPYSA-N 1 1 311.342 -1.089 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCCOC1 ZINC001402522088 925006932 /nfs/dbraw/zinc/00/69/32/925006932.db2.gz YBZRABLRTPJQHP-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@H+]1C[C@H]1CCCOC1 ZINC001402522088 925006941 /nfs/dbraw/zinc/00/69/41/925006941.db2.gz YBZRABLRTPJQHP-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO Cn1ncc(C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)c1N ZINC001402564487 925010487 /nfs/dbraw/zinc/01/04/87/925010487.db2.gz OIAZEVATSQHFCN-CQSZACIVSA-N 1 1 311.386 -1.059 20 0 DAADMO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001402558674 925010753 /nfs/dbraw/zinc/01/07/53/925010753.db2.gz CCXKFYYTILIQKN-XAVMHZPKSA-N 1 1 310.362 -1.435 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001402579726 925012919 /nfs/dbraw/zinc/01/29/19/925012919.db2.gz ULSBIRGATDTXLJ-QMMMGPOBSA-N 1 1 308.346 -1.980 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CCS(C)(=O)=O)C2)n1 ZINC001402584896 925014054 /nfs/dbraw/zinc/01/40/54/925014054.db2.gz FNDJBGDPDGJMJC-AOOOYVTPSA-N 1 1 315.399 -1.013 20 0 DAADMO CN(CCC[N@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)C(F)F ZINC001402622310 925018908 /nfs/dbraw/zinc/01/89/08/925018908.db2.gz TZVLLPRHDVIOJI-UHFFFAOYSA-N 1 1 320.340 -1.010 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCNC(=O)C1)C(=O)C(F)F ZINC001402622310 925018914 /nfs/dbraw/zinc/01/89/14/925018914.db2.gz TZVLLPRHDVIOJI-UHFFFAOYSA-N 1 1 320.340 -1.010 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001402631057 925018974 /nfs/dbraw/zinc/01/89/74/925018974.db2.gz GEOXITNTRVIKMB-GHMZBOCLSA-N 1 1 303.359 -1.118 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001402665261 925021554 /nfs/dbraw/zinc/02/15/54/925021554.db2.gz JREGAXKEYWTWTE-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001402726845 925024354 /nfs/dbraw/zinc/02/43/54/925024354.db2.gz UOXVMRXVHKSDKA-CQSZACIVSA-N 1 1 324.385 -1.194 20 0 DAADMO Cn1[nH]c(C[NH2+][C@]2(CO)CCCN(C(=O)C(F)F)C2)nc1=O ZINC001402715600 925024379 /nfs/dbraw/zinc/02/43/79/925024379.db2.gz MQSVXDLKVXNHCE-GFCCVEGCSA-N 1 1 319.312 -1.183 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001402728155 925025369 /nfs/dbraw/zinc/02/53/69/925025369.db2.gz QOPUFVDOUAKVTC-CQSZACIVSA-N 1 1 324.385 -1.308 20 0 DAADMO Cn1[nH]c(C[NH2+][C@@]2(CO)CCCN(C(=O)C(F)F)C2)nc1=O ZINC001402715615 925025811 /nfs/dbraw/zinc/02/58/11/925025811.db2.gz MQSVXDLKVXNHCE-LBPRGKRZSA-N 1 1 319.312 -1.183 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001402765620 925027702 /nfs/dbraw/zinc/02/77/02/925027702.db2.gz OESMKRNOJQFNPR-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO Cn1nnc(C(=O)N2CCC(O)(C[NH2+]Cc3ccon3)CC2)n1 ZINC001402790379 925028562 /nfs/dbraw/zinc/02/85/62/925028562.db2.gz IIUOPVBXHSDAMW-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC(O)(C[NH2+]Cc2ccon2)CC1 ZINC001402792260 925028936 /nfs/dbraw/zinc/02/89/36/925028936.db2.gz KVPGQLRLYBKSBN-LLVKDONJSA-N 1 1 323.353 -1.201 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001402780108 925029281 /nfs/dbraw/zinc/02/92/81/925029281.db2.gz YEOQNMZYWYFLEM-SVPLCASGSA-N 1 1 311.382 -1.482 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001402777808 925029894 /nfs/dbraw/zinc/02/98/94/925029894.db2.gz JTXYEGONVFUZSM-GGAZOKNXSA-N 1 1 314.382 -1.154 20 0 DAADMO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2cnn(C)n2)CC1 ZINC001402787900 925030058 /nfs/dbraw/zinc/03/00/58/925030058.db2.gz XPIQRSVMLNQPDR-UHFFFAOYSA-N 1 1 324.385 -1.606 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@H](C)C1 ZINC001402799002 925031127 /nfs/dbraw/zinc/03/11/27/925031127.db2.gz DVYULJLIHKHJQF-YFVNTRNASA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@H](C)C1 ZINC001402799002 925031138 /nfs/dbraw/zinc/03/11/38/925031138.db2.gz DVYULJLIHKHJQF-YFVNTRNASA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001402798949 925031524 /nfs/dbraw/zinc/03/15/24/925031524.db2.gz DVYULJLIHKHJQF-HKLXJQGRSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001402798949 925031535 /nfs/dbraw/zinc/03/15/35/925031535.db2.gz DVYULJLIHKHJQF-HKLXJQGRSA-N 1 1 324.381 -1.087 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCO ZINC001402815950 925032007 /nfs/dbraw/zinc/03/20/07/925032007.db2.gz FGSDEVRVWDKHNI-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001402815404 925032102 /nfs/dbraw/zinc/03/21/02/925032102.db2.gz UPBLFPFITCOXRX-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001402815404 925032113 /nfs/dbraw/zinc/03/21/13/925032113.db2.gz UPBLFPFITCOXRX-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC001402811242 925032608 /nfs/dbraw/zinc/03/26/08/925032608.db2.gz ONAYRINCOBFWBE-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001402880541 925037016 /nfs/dbraw/zinc/03/70/16/925037016.db2.gz UFTKXFGWSBHQLM-SECBINFHSA-N 1 1 324.389 -1.079 20 0 DAADMO C[C@@H](C(N)=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402889931 925037697 /nfs/dbraw/zinc/03/76/97/925037697.db2.gz IPVKWNOZWAQEBG-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1CCF ZINC001402887844 925038768 /nfs/dbraw/zinc/03/87/68/925038768.db2.gz FKYKSKOUTIJINF-VIFPVBQESA-N 1 1 315.353 -1.229 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[NH2+]Cc1nnc2n1CCOC2 ZINC001402880598 925039019 /nfs/dbraw/zinc/03/90/19/925039019.db2.gz ULKBZJDSGBLUNM-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+][C@@H](C)c1nncn1C ZINC001402900321 925040221 /nfs/dbraw/zinc/04/02/21/925040221.db2.gz BPXNSOZIUCPEHK-MNOVXSKESA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1nnnn1C ZINC001402926112 925040753 /nfs/dbraw/zinc/04/07/53/925040753.db2.gz IIRXPFRIPXKXBP-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001402904546 925041551 /nfs/dbraw/zinc/04/15/51/925041551.db2.gz HQUGEVHDHQNKFA-JTQLQIEISA-N 1 1 324.385 -1.733 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001402928959 925043372 /nfs/dbraw/zinc/04/33/72/925043372.db2.gz FJLJEKSZFSLFIB-JTQLQIEISA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402945957 925043472 /nfs/dbraw/zinc/04/34/72/925043472.db2.gz XJSMYLPCNHMJHR-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001402985610 925044764 /nfs/dbraw/zinc/04/47/64/925044764.db2.gz FTJWRIWEBJDRSL-PSASIEDQSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001402983724 925045116 /nfs/dbraw/zinc/04/51/16/925045116.db2.gz XFAKKNLJMFXORU-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001402983724 925045127 /nfs/dbraw/zinc/04/51/27/925045127.db2.gz XFAKKNLJMFXORU-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001403022556 925047833 /nfs/dbraw/zinc/04/78/33/925047833.db2.gz GCBHKLSIUQYMOQ-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnnn1C1CC1 ZINC001403008736 925047950 /nfs/dbraw/zinc/04/79/50/925047950.db2.gz RTSOWNWBJYIYMI-SFGNSQDASA-N 1 1 307.358 -1.276 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001403060169 925049622 /nfs/dbraw/zinc/04/96/22/925049622.db2.gz ZWPALTCPKZGAPW-HTQZYQBOSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)CCn1cnnn1 ZINC001403066583 925049991 /nfs/dbraw/zinc/04/99/91/925049991.db2.gz YBJVMRPVLTXIDG-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001403093968 925051353 /nfs/dbraw/zinc/05/13/53/925051353.db2.gz DVGHTUMUHOSVQI-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001403083647 925051809 /nfs/dbraw/zinc/05/18/09/925051809.db2.gz ZGPQGWOQIANORE-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001403098684 925052428 /nfs/dbraw/zinc/05/24/28/925052428.db2.gz OXOWTLCBVVQFRY-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001403098684 925052435 /nfs/dbraw/zinc/05/24/35/925052435.db2.gz OXOWTLCBVVQFRY-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111446 925052614 /nfs/dbraw/zinc/05/26/14/925052614.db2.gz ICUMXOYOEZLJIJ-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111446 925052624 /nfs/dbraw/zinc/05/26/24/925052624.db2.gz ICUMXOYOEZLJIJ-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnccn1 ZINC001403113492 925052965 /nfs/dbraw/zinc/05/29/65/925052965.db2.gz WDQROEQOZLSJKU-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnccn1 ZINC001403113492 925052974 /nfs/dbraw/zinc/05/29/74/925052974.db2.gz WDQROEQOZLSJKU-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO COc1nccc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001403136516 925054943 /nfs/dbraw/zinc/05/49/43/925054943.db2.gz GFJXGDOZPBHGHL-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1nccc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001403136516 925054952 /nfs/dbraw/zinc/05/49/52/925054952.db2.gz GFJXGDOZPBHGHL-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncnn1C ZINC001403148005 925054972 /nfs/dbraw/zinc/05/49/72/925054972.db2.gz UJBOCWTXLFIEIV-RKDXNWHRSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nccn1C ZINC001403134812 925055288 /nfs/dbraw/zinc/05/52/88/925055288.db2.gz IFHCHMJRJYJEJQ-UWVGGRQHSA-N 1 1 315.399 -1.294 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)c1ccncc1)[N@H+](C)CC(N)=O ZINC001403132024 925055329 /nfs/dbraw/zinc/05/53/29/925055329.db2.gz XIDLXXZLEXPYJG-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)c1ccncc1)[N@@H+](C)CC(N)=O ZINC001403132024 925055340 /nfs/dbraw/zinc/05/53/40/925055340.db2.gz XIDLXXZLEXPYJG-JTQLQIEISA-N 1 1 307.354 -1.267 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001403129733 925055757 /nfs/dbraw/zinc/05/57/57/925055757.db2.gz IIOQSCQFBGFIMB-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001403154682 925056495 /nfs/dbraw/zinc/05/64/95/925056495.db2.gz DAKJEHZWEZMIKK-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)c1cccc(=O)n1C)[N@H+](C)CC(=O)NC(N)=O ZINC001403159793 925056605 /nfs/dbraw/zinc/05/66/05/925056605.db2.gz GZZYRBKGYNSUTJ-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](CNC(=O)c1cccc(=O)n1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001403159793 925056613 /nfs/dbraw/zinc/05/66/13/925056613.db2.gz GZZYRBKGYNSUTJ-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)CC(N)=O)[N@@H+](C)CCN1CCNC1=O ZINC001403154687 925057600 /nfs/dbraw/zinc/05/76/00/925057600.db2.gz DAKJEHZWEZMIKK-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H](C)[N@@H+](C)CCN1CCNC1=O ZINC001403154678 925057775 /nfs/dbraw/zinc/05/77/75/925057775.db2.gz DAKJEHZWEZMIKK-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)CN(C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403179732 925058669 /nfs/dbraw/zinc/05/86/69/925058669.db2.gz WDPQVYBMLXVRRV-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196751 925058751 /nfs/dbraw/zinc/05/87/51/925058751.db2.gz XMXRVOQGSCVPBU-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001403196751 925058756 /nfs/dbraw/zinc/05/87/56/925058756.db2.gz XMXRVOQGSCVPBU-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001403184670 925060211 /nfs/dbraw/zinc/06/02/11/925060211.db2.gz JPYLMGYKHXRRLZ-VHSXEESVSA-N 1 1 310.420 -1.800 20 0 DAADMO CCNC(=O)CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001403194096 925060440 /nfs/dbraw/zinc/06/04/40/925060440.db2.gz DZRSPVQQYAQEQB-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001403209406 925061600 /nfs/dbraw/zinc/06/16/00/925061600.db2.gz VXHDKCBPZUUBSO-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001403209406 925061609 /nfs/dbraw/zinc/06/16/09/925061609.db2.gz VXHDKCBPZUUBSO-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001403217520 925062658 /nfs/dbraw/zinc/06/26/58/925062658.db2.gz SSQIHDZZPCZEDX-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001403216439 925062928 /nfs/dbraw/zinc/06/29/28/925062928.db2.gz FBFWLUOHGQXCFK-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001403221482 925063051 /nfs/dbraw/zinc/06/30/51/925063051.db2.gz MMSGNCCKUHXLGV-VHSXEESVSA-N 1 1 324.389 -1.405 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403226868 925064965 /nfs/dbraw/zinc/06/49/65/925064965.db2.gz VKUQHLHMKNCQEE-SRVKXCTJSA-N 1 1 316.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)Cn1ccnc1)[N@H+](C)CCNS(C)(=O)=O ZINC001403228665 925065438 /nfs/dbraw/zinc/06/54/38/925065438.db2.gz XQVLYHIKANOIRC-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@H](CNC(=O)Cn1ccnc1)[N@@H+](C)CCNS(C)(=O)=O ZINC001403228665 925065447 /nfs/dbraw/zinc/06/54/47/925065447.db2.gz XQVLYHIKANOIRC-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CCO)CN([C@H]3CCNC3=O)C2)C1 ZINC001403241560 925066615 /nfs/dbraw/zinc/06/66/15/925066615.db2.gz YZAUWDFYMQZWNX-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)Cn3cnnn3)C2)C1=O ZINC001403297017 925067768 /nfs/dbraw/zinc/06/77/68/925067768.db2.gz JRXVEKNQUCNBNK-PWSUYJOCSA-N 1 1 321.385 -1.270 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001403296036 925068126 /nfs/dbraw/zinc/06/81/26/925068126.db2.gz CIARRJARUPVMGS-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001403325516 925069590 /nfs/dbraw/zinc/06/95/90/925069590.db2.gz HZACQZJEJOMGKQ-JTQLQIEISA-N 1 1 321.381 -1.034 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001403325518 925069687 /nfs/dbraw/zinc/06/96/87/925069687.db2.gz HZACQZJEJOMGKQ-SNVBAGLBSA-N 1 1 321.381 -1.034 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403325202 925070136 /nfs/dbraw/zinc/07/01/36/925070136.db2.gz KBBLVLKJVSXPGH-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403310691 925070232 /nfs/dbraw/zinc/07/02/32/925070232.db2.gz YORTXSGFSMABGQ-VHSXEESVSA-N 1 1 314.386 -1.599 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001403303610 925070247 /nfs/dbraw/zinc/07/02/47/925070247.db2.gz ADEYYTKYJKMTAT-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001403303610 925070254 /nfs/dbraw/zinc/07/02/54/925070254.db2.gz ADEYYTKYJKMTAT-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001403314068 925071151 /nfs/dbraw/zinc/07/11/51/925071151.db2.gz GTQGTVGEXNXBIZ-NEPJUHHUSA-N 1 1 312.414 -1.245 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403342677 925072014 /nfs/dbraw/zinc/07/20/14/925072014.db2.gz LZADPCTTYPDKEK-SFYZADRCSA-N 1 1 306.388 -2.154 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)NC)C(C)(C)C1 ZINC001403355620 925072164 /nfs/dbraw/zinc/07/21/64/925072164.db2.gz HQWSFWJOQWRXIE-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCNC(=O)NC)C(C)(C)C1 ZINC001403355620 925072175 /nfs/dbraw/zinc/07/21/75/925072175.db2.gz HQWSFWJOQWRXIE-JTQLQIEISA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403333754 925072326 /nfs/dbraw/zinc/07/23/26/925072326.db2.gz VQIMFROKKFOMOJ-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2)NC(N)=O ZINC001403358419 925072369 /nfs/dbraw/zinc/07/23/69/925072369.db2.gz YPPNTDZERKKGCQ-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2)NC(N)=O ZINC001403358419 925072378 /nfs/dbraw/zinc/07/23/78/925072378.db2.gz YPPNTDZERKKGCQ-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403342670 925072875 /nfs/dbraw/zinc/07/28/75/925072875.db2.gz LZADPCTTYPDKEK-JGVFFNPUSA-N 1 1 306.388 -2.154 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001403371248 925073931 /nfs/dbraw/zinc/07/39/31/925073931.db2.gz YSJBMOZEPBVKTQ-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001403378766 925074594 /nfs/dbraw/zinc/07/45/94/925074594.db2.gz WICRHANBNOLDSB-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001403359684 925074717 /nfs/dbraw/zinc/07/47/17/925074717.db2.gz MDSUFVGRTAPWRU-CYBMUJFWSA-N 1 1 300.359 -1.660 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001403359684 925074726 /nfs/dbraw/zinc/07/47/26/925074726.db2.gz MDSUFVGRTAPWRU-CYBMUJFWSA-N 1 1 300.359 -1.660 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)n1 ZINC001403387276 925075348 /nfs/dbraw/zinc/07/53/48/925075348.db2.gz XBJAZZLGMMOSAE-OWUUHHOZSA-N 1 1 310.333 -1.360 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2)NC(N)=O ZINC001403416759 925075400 /nfs/dbraw/zinc/07/54/00/925075400.db2.gz WMMNWIYJHCAPBV-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2)NC(N)=O ZINC001403416759 925075408 /nfs/dbraw/zinc/07/54/08/925075408.db2.gz WMMNWIYJHCAPBV-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001403391827 925075981 /nfs/dbraw/zinc/07/59/81/925075981.db2.gz ZYHZEYHRSQGBBS-XWLWVQCSSA-N 1 1 311.386 -1.527 20 0 DAADMO Cc1noc(C[NH2+][C@@H](C)CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001403406670 925076257 /nfs/dbraw/zinc/07/62/57/925076257.db2.gz LGKYCKFLDZMZCW-VIFPVBQESA-N 1 1 323.357 -1.042 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001403388691 925076349 /nfs/dbraw/zinc/07/63/49/925076349.db2.gz PKDBYPMBXGACPJ-FIQHERPVSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001403393259 925076514 /nfs/dbraw/zinc/07/65/14/925076514.db2.gz LSEZPLXEHZOYLA-FIQHERPVSA-N 1 1 319.427 -1.270 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001403426146 925077684 /nfs/dbraw/zinc/07/76/84/925077684.db2.gz UCGIMOQDSWUJBC-WISYIIOYSA-N 1 1 304.354 -1.539 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001403495122 925079588 /nfs/dbraw/zinc/07/95/88/925079588.db2.gz VZAHVQVWNAUGDQ-NSHDSACASA-N 1 1 305.400 -1.395 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001403495122 925079596 /nfs/dbraw/zinc/07/95/96/925079596.db2.gz VZAHVQVWNAUGDQ-NSHDSACASA-N 1 1 305.400 -1.395 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403514561 925080216 /nfs/dbraw/zinc/08/02/16/925080216.db2.gz CQEBYQXDKFYAKR-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403514561 925080225 /nfs/dbraw/zinc/08/02/25/925080225.db2.gz CQEBYQXDKFYAKR-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403514582 925080758 /nfs/dbraw/zinc/08/07/58/925080758.db2.gz CQEBYQXDKFYAKR-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403514582 925080767 /nfs/dbraw/zinc/08/07/67/925080767.db2.gz CQEBYQXDKFYAKR-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCN2CCCC2=O)C1 ZINC001403528681 925080901 /nfs/dbraw/zinc/08/09/01/925080901.db2.gz FXMITVFZLRUKCX-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001403507128 925081077 /nfs/dbraw/zinc/08/10/77/925081077.db2.gz NRVPBQSVCDRWDD-RTCCRHLQSA-N 1 1 312.370 -1.228 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@@H+](C)CCN2CCCC2=O)C1 ZINC001403528689 925081155 /nfs/dbraw/zinc/08/11/55/925081155.db2.gz FXMITVFZLRUKCX-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cn[nH]c1)S(C)(=O)=O ZINC001403505508 925082167 /nfs/dbraw/zinc/08/21/67/925082167.db2.gz OBBDLFZGPAUCPT-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cn[nH]c1)S(C)(=O)=O ZINC001403505508 925082176 /nfs/dbraw/zinc/08/21/76/925082176.db2.gz OBBDLFZGPAUCPT-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001403538310 925083656 /nfs/dbraw/zinc/08/36/56/925083656.db2.gz GUHSNXJVMKVVDQ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001403549198 925083466 /nfs/dbraw/zinc/08/34/66/925083466.db2.gz YJPNKNGNELTVPN-MRVPVSSYSA-N 1 1 300.315 -1.818 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001403549198 925083476 /nfs/dbraw/zinc/08/34/76/925083476.db2.gz YJPNKNGNELTVPN-MRVPVSSYSA-N 1 1 300.315 -1.818 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001403561133 925083498 /nfs/dbraw/zinc/08/34/98/925083498.db2.gz FGJCEGLMFGADOJ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001403561133 925083504 /nfs/dbraw/zinc/08/35/04/925083504.db2.gz FGJCEGLMFGADOJ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cn(C)cn1 ZINC001403538310 925083651 /nfs/dbraw/zinc/08/36/51/925083651.db2.gz GUHSNXJVMKVVDQ-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001403571157 925085046 /nfs/dbraw/zinc/08/50/46/925085046.db2.gz ZYKMUFIMZYNNTB-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001403568755 925085708 /nfs/dbraw/zinc/08/57/08/925085708.db2.gz SAMYKRVFHXNHRY-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1ccnn1C ZINC001403569978 925086129 /nfs/dbraw/zinc/08/61/29/925086129.db2.gz VVAMSCRNUBNUFM-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1ccnn1C ZINC001403569978 925086136 /nfs/dbraw/zinc/08/61/36/925086136.db2.gz VVAMSCRNUBNUFM-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001403568758 925086384 /nfs/dbraw/zinc/08/63/84/925086384.db2.gz SAMYKRVFHXNHRY-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)C[C@H]1CCOC1)S(C)(=O)=O ZINC001403568631 925086777 /nfs/dbraw/zinc/08/67/77/925086777.db2.gz RKVXJIOJAWPARJ-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001403571163 925086982 /nfs/dbraw/zinc/08/69/82/925086982.db2.gz ZYKMUFIMZYNNTB-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001403571151 925087041 /nfs/dbraw/zinc/08/70/41/925087041.db2.gz ZYKMUFIMZYNNTB-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001403604236 925087812 /nfs/dbraw/zinc/08/78/12/925087812.db2.gz BLLZSUXWYJLSPY-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001403604236 925087818 /nfs/dbraw/zinc/08/78/18/925087818.db2.gz BLLZSUXWYJLSPY-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CN1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC1=O ZINC001403610817 925087900 /nfs/dbraw/zinc/08/79/00/925087900.db2.gz JKNPCAUKVBIOFP-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC1=O ZINC001403610817 925087910 /nfs/dbraw/zinc/08/79/10/925087910.db2.gz JKNPCAUKVBIOFP-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC1=O ZINC001403610818 925088463 /nfs/dbraw/zinc/08/84/63/925088463.db2.gz JKNPCAUKVBIOFP-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC1=O ZINC001403610818 925088474 /nfs/dbraw/zinc/08/84/74/925088474.db2.gz JKNPCAUKVBIOFP-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001403618158 925089171 /nfs/dbraw/zinc/08/91/71/925089171.db2.gz PISICMFMJXCOGM-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)C1=O ZINC001403618158 925089180 /nfs/dbraw/zinc/08/91/80/925089180.db2.gz PISICMFMJXCOGM-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)cc1=O ZINC001403597088 925089714 /nfs/dbraw/zinc/08/97/14/925089714.db2.gz VATMTEKIBCQOEJ-UHFFFAOYSA-N 1 1 321.381 -1.032 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403622840 925090173 /nfs/dbraw/zinc/09/01/73/925090173.db2.gz GALNPXUSAOTIHM-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403622840 925090182 /nfs/dbraw/zinc/09/01/82/925090182.db2.gz GALNPXUSAOTIHM-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)[C@H](C)C(=O)NC(N)=O ZINC001403621640 925090328 /nfs/dbraw/zinc/09/03/28/925090328.db2.gz BFFWMRNANUKVCD-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO C[N@H+](CCNC(=O)CCc1cncnc1)CC(=O)NC(N)=O ZINC001403631364 925090620 /nfs/dbraw/zinc/09/06/20/925090620.db2.gz CLXROFXYJDPDED-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1cncnc1)CC(=O)NC(N)=O ZINC001403631364 925090629 /nfs/dbraw/zinc/09/06/29/925090629.db2.gz CLXROFXYJDPDED-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001403620051 925091786 /nfs/dbraw/zinc/09/17/86/925091786.db2.gz JJGQUDFSAZLRME-SNVBAGLBSA-N 1 1 302.375 -1.896 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)cn1 ZINC001403646937 925092784 /nfs/dbraw/zinc/09/27/84/925092784.db2.gz CQTFCOAVWHALOV-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)cn1 ZINC001403646932 925093321 /nfs/dbraw/zinc/09/33/21/925093321.db2.gz CQTFCOAVWHALOV-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)(F)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403642129 925094486 /nfs/dbraw/zinc/09/44/86/925094486.db2.gz DFCKVILBXVZHAD-SECBINFHSA-N 1 1 318.349 -2.240 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CNC(=O)C1CC1 ZINC001403641094 925094778 /nfs/dbraw/zinc/09/47/78/925094778.db2.gz BVUVQIFHQYUJAU-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403649430 925095257 /nfs/dbraw/zinc/09/52/57/925095257.db2.gz KIVRTEXUZZAXRW-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1ccc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001403650234 925095793 /nfs/dbraw/zinc/09/57/93/925095793.db2.gz DOCUSVTVDZNNGD-QWHCGFSZSA-N 1 1 311.386 -1.683 20 0 DAADMO Cn1ccc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001403650234 925095803 /nfs/dbraw/zinc/09/58/03/925095803.db2.gz DOCUSVTVDZNNGD-QWHCGFSZSA-N 1 1 311.386 -1.683 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1 ZINC001403652057 925098006 /nfs/dbraw/zinc/09/80/06/925098006.db2.gz GSHQGAPHASEOEE-LLVKDONJSA-N 1 1 307.358 -1.239 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnns1)n1cncn1 ZINC001403653187 925098403 /nfs/dbraw/zinc/09/84/03/925098403.db2.gz JIGXKOGADXMLBI-DTWKUNHWSA-N 1 1 311.371 -1.043 20 0 DAADMO Cc1nnsc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403652990 925099465 /nfs/dbraw/zinc/09/94/65/925099465.db2.gz TWBGUMFWAODBCS-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO CC(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403655757 925100107 /nfs/dbraw/zinc/10/01/07/925100107.db2.gz LXAHJMOGJQWYKA-JTQLQIEISA-N 1 1 300.359 -2.333 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(C)=O)n1 ZINC001403654092 925100795 /nfs/dbraw/zinc/10/07/95/925100795.db2.gz QHRHDMKWUHDESY-MFKMUULPSA-N 1 1 311.386 -1.006 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O)n1 ZINC001403654098 925100803 /nfs/dbraw/zinc/10/08/03/925100803.db2.gz QHRHDMKWUHDESY-ZWNOBZJWSA-N 1 1 311.386 -1.006 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001403654676 925100944 /nfs/dbraw/zinc/10/09/44/925100944.db2.gz IYXHKAQNTVDXFI-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCCN(C)C2=O)NC1=O ZINC001403659246 925103099 /nfs/dbraw/zinc/10/30/99/925103099.db2.gz MMGRBKYCYKJVSK-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCCN(C)C2=O)NC1=O ZINC001403659246 925103105 /nfs/dbraw/zinc/10/31/05/925103105.db2.gz MMGRBKYCYKJVSK-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)C1=O ZINC001403665003 925106329 /nfs/dbraw/zinc/10/63/29/925106329.db2.gz KFVGGXURJHQLSJ-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001403663380 925106697 /nfs/dbraw/zinc/10/66/97/925106697.db2.gz QKTBWCMCEHHPRY-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403668751 925108588 /nfs/dbraw/zinc/10/85/88/925108588.db2.gz MKVLTFKCTPDPBA-VHSXEESVSA-N 1 1 312.374 -1.704 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403668757 925108666 /nfs/dbraw/zinc/10/86/66/925108666.db2.gz MKVLTFKCTPDPBA-ZJUUUORDSA-N 1 1 312.374 -1.704 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403668739 925108964 /nfs/dbraw/zinc/10/89/64/925108964.db2.gz MKVLTFKCTPDPBA-NXEZZACHSA-N 1 1 312.374 -1.704 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCNC(=O)CC1 ZINC001403674000 925110466 /nfs/dbraw/zinc/11/04/66/925110466.db2.gz QVYAJPVDQUJARV-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001403673032 925110592 /nfs/dbraw/zinc/11/05/92/925110592.db2.gz GIECGBNUYQHTDN-NEPJUHHUSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)nn1C ZINC001403682025 925113895 /nfs/dbraw/zinc/11/38/95/925113895.db2.gz WZSYHDFOKGORFG-DGCLKSJQSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001403682871 925114301 /nfs/dbraw/zinc/11/43/01/925114301.db2.gz JQLURPMSMPLSCS-LLVKDONJSA-N 1 1 321.381 -1.099 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001403682871 925114309 /nfs/dbraw/zinc/11/43/09/925114309.db2.gz JQLURPMSMPLSCS-LLVKDONJSA-N 1 1 321.381 -1.099 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)nn1C ZINC001403682016 925114550 /nfs/dbraw/zinc/11/45/50/925114550.db2.gz WZSYHDFOKGORFG-AAEUAGOBSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)nn1C ZINC001403693340 925118461 /nfs/dbraw/zinc/11/84/61/925118461.db2.gz ABYWSSSBWWVSNP-NWDGAFQWSA-N 1 1 324.385 -1.681 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)cn2)n1 ZINC001403696628 925118589 /nfs/dbraw/zinc/11/85/89/925118589.db2.gz GPQPUODOCVRFPE-JTQLQIEISA-N 1 1 309.305 -1.375 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403697480 925120838 /nfs/dbraw/zinc/12/08/38/925120838.db2.gz CDEHSGJKIKZSSG-JTQLQIEISA-N 1 1 318.337 -1.251 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403700530 925121240 /nfs/dbraw/zinc/12/12/40/925121240.db2.gz LCAXFEWTJSEDPS-NWDGAFQWSA-N 1 1 300.403 -1.328 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403705836 925122541 /nfs/dbraw/zinc/12/25/41/925122541.db2.gz KPYNQQJGJQYXHY-VIFPVBQESA-N 1 1 307.310 -1.053 20 0 DAADMO CC[C@H](F)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403707938 925124417 /nfs/dbraw/zinc/12/44/17/925124417.db2.gz UTEQPFPAIDMVHZ-ZJUUUORDSA-N 1 1 318.349 -2.240 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001403707961 925124653 /nfs/dbraw/zinc/12/46/53/925124653.db2.gz UXUVKWIZPMEIOH-CMPLNLGQSA-N 1 1 322.369 -1.625 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)[NH+](C)C ZINC001403710340 925124881 /nfs/dbraw/zinc/12/48/81/925124881.db2.gz AJYICNFGTWGHBX-DGCLKSJQSA-N 1 1 302.419 -1.273 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403709089 925125098 /nfs/dbraw/zinc/12/50/98/925125098.db2.gz GWWMOSFXPMYFNA-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001403716552 925126373 /nfs/dbraw/zinc/12/63/73/925126373.db2.gz XRPUQWSWNZLELI-WCBMZHEXSA-N 1 1 313.383 -1.274 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403712894 925127137 /nfs/dbraw/zinc/12/71/37/925127137.db2.gz CKPYANAVNGUDCH-JTQLQIEISA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001403717499 925128201 /nfs/dbraw/zinc/12/82/01/925128201.db2.gz DPXFEBYPOUWDBX-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001403720376 925128828 /nfs/dbraw/zinc/12/88/28/925128828.db2.gz MTAWNPBBVVHUCY-GHMZBOCLSA-N 1 1 316.402 -1.962 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)COc1cccnc1 ZINC001403723226 925128843 /nfs/dbraw/zinc/12/88/43/925128843.db2.gz VXFFHMKDEZLROK-UHFFFAOYSA-N 1 1 323.353 -1.036 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)COc1cccnc1 ZINC001403723226 925128847 /nfs/dbraw/zinc/12/88/47/925128847.db2.gz VXFFHMKDEZLROK-UHFFFAOYSA-N 1 1 323.353 -1.036 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001403720379 925129320 /nfs/dbraw/zinc/12/93/20/925129320.db2.gz MTAWNPBBVVHUCY-MNOVXSKESA-N 1 1 316.402 -1.962 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)CC(N)=O)ncn1 ZINC001403726310 925130253 /nfs/dbraw/zinc/13/02/53/925130253.db2.gz XSMBGYFESHGYPV-SKDRFNHKSA-N 1 1 309.370 -1.137 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C ZINC001403725446 925130881 /nfs/dbraw/zinc/13/08/81/925130881.db2.gz WJXPUOZSPXISGT-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C ZINC001403725446 925130889 /nfs/dbraw/zinc/13/08/89/925130889.db2.gz WJXPUOZSPXISGT-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403731925 925132404 /nfs/dbraw/zinc/13/24/04/925132404.db2.gz RCICLEMJHPQSHR-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(C)NC(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403731925 925132411 /nfs/dbraw/zinc/13/24/11/925132411.db2.gz RCICLEMJHPQSHR-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O)cn1 ZINC001403728432 925132515 /nfs/dbraw/zinc/13/25/15/925132515.db2.gz ZNLSMXKTESNSRW-CABZTGNLSA-N 1 1 309.370 -1.137 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001403733515 925133077 /nfs/dbraw/zinc/13/30/77/925133077.db2.gz NFVSKQZZFKHAMX-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ccon2)C1 ZINC001403731282 925133253 /nfs/dbraw/zinc/13/32/53/925133253.db2.gz FNGUCASIEOXDDH-STQMWFEESA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2ccon2)C1 ZINC001403731282 925133258 /nfs/dbraw/zinc/13/32/58/925133258.db2.gz FNGUCASIEOXDDH-STQMWFEESA-N 1 1 312.370 -1.038 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001403732455 925133379 /nfs/dbraw/zinc/13/33/79/925133379.db2.gz VLABHJWZAHPHFD-LBPRGKRZSA-N 1 1 307.358 -1.239 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cn1ccnc1 ZINC001403740650 925134262 /nfs/dbraw/zinc/13/42/62/925134262.db2.gz HXVFYPAAVHJFFG-NSHDSACASA-N 1 1 307.358 -1.239 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)[C@@H](C)C(=O)NC(N)=O ZINC001403767846 925140110 /nfs/dbraw/zinc/14/01/10/925140110.db2.gz XOTKQLICQPZCGR-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001403766136 925140901 /nfs/dbraw/zinc/14/09/01/925140901.db2.gz CYOJVCILKQWWAX-NSHDSACASA-N 1 1 306.432 -1.465 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(N)=O ZINC001403797980 925142411 /nfs/dbraw/zinc/14/24/11/925142411.db2.gz JOEKEXVIEHWAAL-VIFPVBQESA-N 1 1 302.331 -1.965 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CC(=O)NC(N)=O ZINC001403797980 925142418 /nfs/dbraw/zinc/14/24/18/925142418.db2.gz JOEKEXVIEHWAAL-VIFPVBQESA-N 1 1 302.331 -1.965 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001403811895 925142517 /nfs/dbraw/zinc/14/25/17/925142517.db2.gz XUILTSVNGSBPBK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001403811895 925142523 /nfs/dbraw/zinc/14/25/23/925142523.db2.gz XUILTSVNGSBPBK-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cnn(C)c1)[C@@H](C)C(=O)NC(N)=O ZINC001403816447 925142707 /nfs/dbraw/zinc/14/27/07/925142707.db2.gz HGPIBWQWSXZWGN-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cnn(C)c1)[C@@H](C)C(=O)NC(N)=O ZINC001403816447 925142711 /nfs/dbraw/zinc/14/27/11/925142711.db2.gz HGPIBWQWSXZWGN-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnn(C)c2N)[nH]1 ZINC001403816210 925143130 /nfs/dbraw/zinc/14/31/30/925143130.db2.gz CJCWHFWIELHNQJ-VIFPVBQESA-N 1 1 322.373 -1.348 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001403797216 925143462 /nfs/dbraw/zinc/14/34/62/925143462.db2.gz WIFAEVUGXZPSFQ-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001403797216 925143468 /nfs/dbraw/zinc/14/34/68/925143468.db2.gz WIFAEVUGXZPSFQ-WPRPVWTQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001403797214 925143716 /nfs/dbraw/zinc/14/37/16/925143716.db2.gz WIFAEVUGXZPSFQ-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001403797214 925143724 /nfs/dbraw/zinc/14/37/24/925143724.db2.gz WIFAEVUGXZPSFQ-SCZZXKLOSA-N 1 1 313.358 -1.714 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnn(C)c2N)[nH]1 ZINC001403816202 925143872 /nfs/dbraw/zinc/14/38/72/925143872.db2.gz CJCWHFWIELHNQJ-SECBINFHSA-N 1 1 322.373 -1.348 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001403818872 925144455 /nfs/dbraw/zinc/14/44/55/925144455.db2.gz OWPYMPXEXWAFET-LLVKDONJSA-N 1 1 313.358 -1.235 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnn(C)c1 ZINC001403821695 925144659 /nfs/dbraw/zinc/14/46/59/925144659.db2.gz DFVSOHFALCFMEG-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCO1)CCNS(C)(=O)=O ZINC001403817548 925144974 /nfs/dbraw/zinc/14/49/74/925144974.db2.gz NJIRVFYVWUGSMW-LLVKDONJSA-N 1 1 323.415 -1.611 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)CCNS(C)(=O)=O ZINC001403817548 925144980 /nfs/dbraw/zinc/14/49/80/925144980.db2.gz NJIRVFYVWUGSMW-LLVKDONJSA-N 1 1 323.415 -1.611 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2ccnn2)[nH]1 ZINC001403824116 925145455 /nfs/dbraw/zinc/14/54/55/925145455.db2.gz JWJJBTUEGAGLNV-LLVKDONJSA-N 1 1 322.373 -1.296 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc2ccn[nH]2)C1=O ZINC001403822131 925146102 /nfs/dbraw/zinc/14/61/02/925146102.db2.gz FQKWXRONGBNHFE-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001403831167 925147539 /nfs/dbraw/zinc/14/75/39/925147539.db2.gz LRRRTNWODOLDPI-SCZZXKLOSA-N 1 1 313.362 -2.184 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001403831522 925148187 /nfs/dbraw/zinc/14/81/87/925148187.db2.gz CELGGFFHXOGOAF-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)co1 ZINC001403828888 925148454 /nfs/dbraw/zinc/14/84/54/925148454.db2.gz NFDRPVLRRVJVQL-GZMMTYOYSA-N 1 1 313.358 -1.051 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccn(C)n1 ZINC001403834809 925149999 /nfs/dbraw/zinc/14/99/99/925149999.db2.gz DXTGUHHNIFKWLE-NSHDSACASA-N 1 1 322.373 -1.905 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1CCNC1=O ZINC001403843666 925151487 /nfs/dbraw/zinc/15/14/87/925151487.db2.gz INILLEGHNNDKQY-GXSJLCMTSA-N 1 1 311.342 -1.495 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001403856237 925154921 /nfs/dbraw/zinc/15/49/21/925154921.db2.gz DKXHVGUUULOMOT-VHSXEESVSA-N 1 1 310.358 -1.634 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001403868415 925157168 /nfs/dbraw/zinc/15/71/68/925157168.db2.gz JBWRNLMGIAACCK-YGRLFVJLSA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403868024 925157663 /nfs/dbraw/zinc/15/76/63/925157663.db2.gz KNADYODFOBZEAR-JTQLQIEISA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001403874933 925159525 /nfs/dbraw/zinc/15/95/25/925159525.db2.gz FAPZPBDPTXCHTE-SNVBAGLBSA-N 1 1 312.326 -1.161 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001403874933 925159533 /nfs/dbraw/zinc/15/95/33/925159533.db2.gz FAPZPBDPTXCHTE-SNVBAGLBSA-N 1 1 312.326 -1.161 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001403874165 925160240 /nfs/dbraw/zinc/16/02/40/925160240.db2.gz NGLBQHLTBBJYSW-STQMWFEESA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cccn1 ZINC001403876534 925161126 /nfs/dbraw/zinc/16/11/26/925161126.db2.gz HECDYZSXJUMVBZ-STQMWFEESA-N 1 1 323.397 -1.135 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001403879469 925161997 /nfs/dbraw/zinc/16/19/97/925161997.db2.gz RWZNCMUOMUAFPD-QWRGUYRKSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@H]1CCC(=O)N1 ZINC001403879463 925163200 /nfs/dbraw/zinc/16/32/00/925163200.db2.gz RWZNCMUOMUAFPD-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccncc1 ZINC001403884150 925164000 /nfs/dbraw/zinc/16/40/00/925164000.db2.gz CPUQPWXZHGPTOI-NSHDSACASA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccncc1 ZINC001403884150 925164017 /nfs/dbraw/zinc/16/40/17/925164017.db2.gz CPUQPWXZHGPTOI-NSHDSACASA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc[nH]1 ZINC001403887266 925164978 /nfs/dbraw/zinc/16/49/78/925164978.db2.gz XJGIPQIQBQFUTN-SECBINFHSA-N 1 1 311.342 -1.426 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc[nH]1 ZINC001403887266 925164982 /nfs/dbraw/zinc/16/49/82/925164982.db2.gz XJGIPQIQBQFUTN-SECBINFHSA-N 1 1 311.342 -1.426 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001403898887 925166912 /nfs/dbraw/zinc/16/69/12/925166912.db2.gz GKOWFDTYDWKOTK-ZDUSSCGKSA-N 1 1 301.387 -1.138 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893865 925167016 /nfs/dbraw/zinc/16/70/16/925167016.db2.gz VSOWLUWTOOTMON-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893865 925167021 /nfs/dbraw/zinc/16/70/21/925167021.db2.gz VSOWLUWTOOTMON-RYUDHWBXSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403896679 925167332 /nfs/dbraw/zinc/16/73/32/925167332.db2.gz CONRANIQXOGEKW-VHSXEESVSA-N 1 1 317.390 -2.118 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403896679 925167338 /nfs/dbraw/zinc/16/73/38/925167338.db2.gz CONRANIQXOGEKW-VHSXEESVSA-N 1 1 317.390 -2.118 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2ccncc12 ZINC001403895632 925167403 /nfs/dbraw/zinc/16/74/03/925167403.db2.gz MRXHBIZFNJCLOW-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2ccncc12 ZINC001403895632 925167412 /nfs/dbraw/zinc/16/74/12/925167412.db2.gz MRXHBIZFNJCLOW-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403898063 925167742 /nfs/dbraw/zinc/16/77/42/925167742.db2.gz ZNKQMMNFUQWNEQ-GFCCVEGCSA-N 1 1 316.402 -1.696 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403898063 925167746 /nfs/dbraw/zinc/16/77/46/925167746.db2.gz ZNKQMMNFUQWNEQ-GFCCVEGCSA-N 1 1 316.402 -1.696 20 0 DAADMO CN(C)C(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001403892897 925167929 /nfs/dbraw/zinc/16/79/29/925167929.db2.gz IIISOCYSHZBWCX-QWHCGFSZSA-N 1 1 314.430 -1.080 20 0 DAADMO CN(C)C(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403892900 925167958 /nfs/dbraw/zinc/16/79/58/925167958.db2.gz IIISOCYSHZBWCX-STQMWFEESA-N 1 1 314.430 -1.080 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccnc2[nH]cnc21 ZINC001403908058 925169621 /nfs/dbraw/zinc/16/96/21/925169621.db2.gz YXNZSNVVYWCAJB-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccnc2[nH]cnc21 ZINC001403908058 925169624 /nfs/dbraw/zinc/16/96/24/925169624.db2.gz YXNZSNVVYWCAJB-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001403900870 925170693 /nfs/dbraw/zinc/17/06/93/925170693.db2.gz HDVXPSWVWDKFAH-QWHCGFSZSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CN1CCOCC1=O ZINC001403902155 925170710 /nfs/dbraw/zinc/17/07/10/925170710.db2.gz UCMPOYXCJJWXRM-LLVKDONJSA-N 1 1 305.350 -1.434 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CN1CCOCC1=O ZINC001403902155 925170714 /nfs/dbraw/zinc/17/07/14/925170714.db2.gz UCMPOYXCJJWXRM-LLVKDONJSA-N 1 1 305.350 -1.434 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001403907054 925170877 /nfs/dbraw/zinc/17/08/77/925170877.db2.gz XRKPUQTVUMQXOF-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC001403910174 925171521 /nfs/dbraw/zinc/17/15/21/925171521.db2.gz GTNZZSQHBBUMNZ-NSHDSACASA-N 1 1 324.385 -1.462 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001403908836 925171594 /nfs/dbraw/zinc/17/15/94/925171594.db2.gz ZMHGYYBIHMNFTE-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001403908836 925171600 /nfs/dbraw/zinc/17/16/00/925171600.db2.gz ZMHGYYBIHMNFTE-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCCNC1=O ZINC001403902048 925171631 /nfs/dbraw/zinc/17/16/31/925171631.db2.gz SSRAAQOUPGBOGJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403915497 925172139 /nfs/dbraw/zinc/17/21/39/925172139.db2.gz HNLDOLDRFJNTOT-MNOVXSKESA-N 1 1 314.386 -1.008 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403911422 925172435 /nfs/dbraw/zinc/17/24/35/925172435.db2.gz RFVIBABUWUPKSX-UWVGGRQHSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403911422 925172441 /nfs/dbraw/zinc/17/24/41/925172441.db2.gz RFVIBABUWUPKSX-UWVGGRQHSA-N 1 1 300.359 -2.238 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C(N)=O ZINC001403912435 925172893 /nfs/dbraw/zinc/17/28/93/925172893.db2.gz KYAXHZPBDSMCPP-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C(N)=O ZINC001403912435 925172902 /nfs/dbraw/zinc/17/29/02/925172902.db2.gz KYAXHZPBDSMCPP-KXUCPTDWSA-N 1 1 300.359 -1.669 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001403923296 925173127 /nfs/dbraw/zinc/17/31/27/925173127.db2.gz ZBLMUHRRWHYQQA-ZJUUUORDSA-N 1 1 311.404 -2.333 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001403924015 925173197 /nfs/dbraw/zinc/17/31/97/925173197.db2.gz YAPJXEIOPIHHLX-KGLIPLIRSA-N 1 1 317.430 -1.302 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001403924015 925173202 /nfs/dbraw/zinc/17/32/02/925173202.db2.gz YAPJXEIOPIHHLX-KGLIPLIRSA-N 1 1 317.430 -1.302 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001403911819 925173304 /nfs/dbraw/zinc/17/33/04/925173304.db2.gz QNCBBRNOCNTNJR-DTWKUNHWSA-N 1 1 313.358 -1.338 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001403911819 925173310 /nfs/dbraw/zinc/17/33/10/925173310.db2.gz QNCBBRNOCNTNJR-DTWKUNHWSA-N 1 1 313.358 -1.338 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cccnc1C(N)=O ZINC001403913605 925173362 /nfs/dbraw/zinc/17/33/62/925173362.db2.gz JDIDZDCLJAHPSH-JTQLQIEISA-N 1 1 310.354 -1.463 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001403921913 925173375 /nfs/dbraw/zinc/17/33/75/925173375.db2.gz WEFYZFVIUWLKLO-LLVKDONJSA-N 1 1 310.354 -1.915 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001403921913 925173379 /nfs/dbraw/zinc/17/33/79/925173379.db2.gz WEFYZFVIUWLKLO-LLVKDONJSA-N 1 1 310.354 -1.915 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403913011 925173390 /nfs/dbraw/zinc/17/33/90/925173390.db2.gz DIHKZJUFZQQIEO-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403911425 925173467 /nfs/dbraw/zinc/17/34/67/925173467.db2.gz RFVIBABUWUPKSX-ZJUUUORDSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403911425 925173470 /nfs/dbraw/zinc/17/34/70/925173470.db2.gz RFVIBABUWUPKSX-ZJUUUORDSA-N 1 1 300.359 -2.238 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001403921479 925173778 /nfs/dbraw/zinc/17/37/78/925173778.db2.gz WKAVQIJLTDAQCR-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCN1CCCC1=O ZINC001403921479 925173784 /nfs/dbraw/zinc/17/37/84/925173784.db2.gz WKAVQIJLTDAQCR-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)c1cnon1 ZINC001403920882 925173950 /nfs/dbraw/zinc/17/39/50/925173950.db2.gz WDWAFDOIRLEKOW-JTQLQIEISA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)c1cnon1 ZINC001403920882 925173953 /nfs/dbraw/zinc/17/39/53/925173953.db2.gz WDWAFDOIRLEKOW-JTQLQIEISA-N 1 1 311.342 -1.287 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915519 925174007 /nfs/dbraw/zinc/17/40/07/925174007.db2.gz HSHRTNWLGRTTSV-CMPLNLGQSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403915519 925174010 /nfs/dbraw/zinc/17/40/10/925174010.db2.gz HSHRTNWLGRTTSV-CMPLNLGQSA-N 1 1 311.386 -1.162 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCNC(=O)C1 ZINC001403913036 925174039 /nfs/dbraw/zinc/17/40/39/925174039.db2.gz QAPCWLUWMZRLKA-VXGBXAGGSA-N 1 1 301.387 -1.354 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C[C@H](C)O ZINC001403962903 925174753 /nfs/dbraw/zinc/17/47/53/925174753.db2.gz JJGUNHSCVVUOQA-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001403974880 925174789 /nfs/dbraw/zinc/17/47/89/925174789.db2.gz CMDXYZCZGNCJQV-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001403974880 925174796 /nfs/dbraw/zinc/17/47/96/925174796.db2.gz CMDXYZCZGNCJQV-NSHDSACASA-N 1 1 309.374 -1.222 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403976636 925175490 /nfs/dbraw/zinc/17/54/90/925175490.db2.gz FNWANUNDKVWYRO-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCNC1=O ZINC001403977439 925175773 /nfs/dbraw/zinc/17/57/73/925175773.db2.gz WEWOAPGZQCRZQG-OUAUKWLOSA-N 1 1 312.370 -1.939 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCNC1=O ZINC001403977439 925175777 /nfs/dbraw/zinc/17/57/77/925175777.db2.gz WEWOAPGZQCRZQG-OUAUKWLOSA-N 1 1 312.370 -1.939 20 0 DAADMO COCC[N@H+](CCNC(=O)CNC(C)=O)[C@@H]1CCN(C)C1=O ZINC001403949739 925176164 /nfs/dbraw/zinc/17/61/64/925176164.db2.gz BGPWJRDVUBOSIB-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](CCNC(=O)CNC(C)=O)[C@@H]1CCN(C)C1=O ZINC001403949739 925176173 /nfs/dbraw/zinc/17/61/73/925176173.db2.gz BGPWJRDVUBOSIB-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404015422 925177142 /nfs/dbraw/zinc/17/71/42/925177142.db2.gz OXCBGPTXRMIURX-VHSXEESVSA-N 1 1 315.374 -2.493 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404015422 925177145 /nfs/dbraw/zinc/17/71/45/925177145.db2.gz OXCBGPTXRMIURX-VHSXEESVSA-N 1 1 315.374 -2.493 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002484 925177411 /nfs/dbraw/zinc/17/74/11/925177411.db2.gz QRARXDZKYAMNNV-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001404002484 925177415 /nfs/dbraw/zinc/17/74/15/925177415.db2.gz QRARXDZKYAMNNV-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO CC(=O)NCC(=O)N(C)C1CC([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001403997415 925177428 /nfs/dbraw/zinc/17/74/28/925177428.db2.gz GJACKUGIUROMDA-PUSIOWJLSA-N 1 1 309.374 -1.014 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404015414 925177540 /nfs/dbraw/zinc/17/75/40/925177540.db2.gz OXCBGPTXRMIURX-UWVGGRQHSA-N 1 1 315.374 -2.493 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404015414 925177543 /nfs/dbraw/zinc/17/75/43/925177543.db2.gz OXCBGPTXRMIURX-UWVGGRQHSA-N 1 1 315.374 -2.493 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001403984398 925178157 /nfs/dbraw/zinc/17/81/57/925178157.db2.gz KTDAWCXROPFMIO-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001403984398 925178164 /nfs/dbraw/zinc/17/81/64/925178164.db2.gz KTDAWCXROPFMIO-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1=O ZINC001403982580 925178181 /nfs/dbraw/zinc/17/81/81/925178181.db2.gz HMFXOZOAWJGIDZ-LBPRGKRZSA-N 1 1 324.381 -1.490 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001403981916 925178200 /nfs/dbraw/zinc/17/82/00/925178200.db2.gz KZAZJGCAFOLPOE-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cc[nH]n1 ZINC001403981916 925178209 /nfs/dbraw/zinc/17/82/09/925178209.db2.gz KZAZJGCAFOLPOE-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001403982099 925178835 /nfs/dbraw/zinc/17/88/35/925178835.db2.gz QCRNCAUELBDWJC-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404066406 925179339 /nfs/dbraw/zinc/17/93/39/925179339.db2.gz QNCDVXIJSREISR-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001404063097 925179484 /nfs/dbraw/zinc/17/94/84/925179484.db2.gz CKOKEVNUYTZLHB-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001404058052 925179508 /nfs/dbraw/zinc/17/95/08/925179508.db2.gz FBYTYISTDYOEED-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001404058052 925179511 /nfs/dbraw/zinc/17/95/11/925179511.db2.gz FBYTYISTDYOEED-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404041327 925179757 /nfs/dbraw/zinc/17/97/57/925179757.db2.gz ZQAYJUUWDPAASI-MNOVXSKESA-N 1 1 302.375 -1.857 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001404044735 925179989 /nfs/dbraw/zinc/17/99/89/925179989.db2.gz SYTLRCQNCZEMJL-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001404039235 925180019 /nfs/dbraw/zinc/18/00/19/925180019.db2.gz GTKVIRJSTBZUQB-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001404039235 925180035 /nfs/dbraw/zinc/18/00/35/925180035.db2.gz GTKVIRJSTBZUQB-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)COC)C1 ZINC001404030076 925180318 /nfs/dbraw/zinc/18/03/18/925180318.db2.gz RRDWGAAUCQFONA-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001404016709 925180503 /nfs/dbraw/zinc/18/05/03/925180503.db2.gz GUCGWWBEAMZUIG-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COCC[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001404068182 925180866 /nfs/dbraw/zinc/18/08/66/925180866.db2.gz PJRRURNDGDWEJK-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001404072900 925181900 /nfs/dbraw/zinc/18/19/00/925181900.db2.gz LNDFJRXWRLCUNX-SECBINFHSA-N 1 1 323.357 -1.380 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001404090366 925182017 /nfs/dbraw/zinc/18/20/17/925182017.db2.gz SLCQFVHZSHVZOS-NWDGAFQWSA-N 1 1 324.381 -1.161 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001404072912 925182068 /nfs/dbraw/zinc/18/20/68/925182068.db2.gz LNDFJRXWRLCUNX-VIFPVBQESA-N 1 1 323.357 -1.380 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001404103441 925182714 /nfs/dbraw/zinc/18/27/14/925182714.db2.gz KBJGBJDPNAGTTM-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404081006 925182980 /nfs/dbraw/zinc/18/29/80/925182980.db2.gz LKPMSIXEFUESRU-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404081006 925182988 /nfs/dbraw/zinc/18/29/88/925182988.db2.gz LKPMSIXEFUESRU-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404077717 925183059 /nfs/dbraw/zinc/18/30/59/925183059.db2.gz KFIOVXIAQIAMSQ-MNOVXSKESA-N 1 1 322.431 -1.799 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001404136469 925183874 /nfs/dbraw/zinc/18/38/74/925183874.db2.gz OGLYVVHHHFRSTQ-UHFFFAOYSA-N 1 1 300.403 -1.419 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(N)=O ZINC001404142223 925185160 /nfs/dbraw/zinc/18/51/60/925185160.db2.gz BTWOKWIBOVZUKV-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(N)=O ZINC001404142223 925185164 /nfs/dbraw/zinc/18/51/64/925185164.db2.gz BTWOKWIBOVZUKV-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C1CC1)[C@H]1CCN(C)C1=O ZINC001404228398 925185832 /nfs/dbraw/zinc/18/58/32/925185832.db2.gz SBJMWIPJGSXVCA-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCN(C)C1=O ZINC001404228398 925185844 /nfs/dbraw/zinc/18/58/44/925185844.db2.gz SBJMWIPJGSXVCA-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001404258638 925186031 /nfs/dbraw/zinc/18/60/31/925186031.db2.gz KMEULCOLVROUBC-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO CCCNC(=O)C[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001404258638 925186038 /nfs/dbraw/zinc/18/60/38/925186038.db2.gz KMEULCOLVROUBC-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](CC(=O)N2CCC2)C2CC2)n1 ZINC001404260596 925186469 /nfs/dbraw/zinc/18/64/69/925186469.db2.gz PAOPVRCKYKEVNQ-UHFFFAOYSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CC(=O)N2CCC2)C2CC2)n1 ZINC001404260596 925186472 /nfs/dbraw/zinc/18/64/72/925186472.db2.gz PAOPVRCKYKEVNQ-UHFFFAOYSA-N 1 1 307.358 -1.363 20 0 DAADMO O=C(NCC[N@@H+](CCn1cncn1)C1CC1)[C@H]1COC(=O)N1 ZINC001404231045 925186643 /nfs/dbraw/zinc/18/66/43/925186643.db2.gz UFWZQSWHZAZWNZ-LLVKDONJSA-N 1 1 308.342 -1.033 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001404261912 925187294 /nfs/dbraw/zinc/18/72/94/925187294.db2.gz RZASXSIWLNTASD-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001404261912 925187300 /nfs/dbraw/zinc/18/73/00/925187300.db2.gz RZASXSIWLNTASD-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 ZINC001404281468 925188317 /nfs/dbraw/zinc/18/83/17/925188317.db2.gz BAXNVTKJHNQYQJ-UHFFFAOYSA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)Cn1nc(C)n(C)c1=O)C1CC1 ZINC001404281468 925188323 /nfs/dbraw/zinc/18/83/23/925188323.db2.gz BAXNVTKJHNQYQJ-UHFFFAOYSA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1ccn[nH]1 ZINC001404337807 925191465 /nfs/dbraw/zinc/19/14/65/925191465.db2.gz LYCLDZPEQMGYSA-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325285 925192057 /nfs/dbraw/zinc/19/20/57/925192057.db2.gz OZYUDDBNWGIVNG-KOLCDFICSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325285 925192065 /nfs/dbraw/zinc/19/20/65/925192065.db2.gz OZYUDDBNWGIVNG-KOLCDFICSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325289 925192485 /nfs/dbraw/zinc/19/24/85/925192485.db2.gz OZYUDDBNWGIVNG-MWLCHTKSSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325289 925192491 /nfs/dbraw/zinc/19/24/91/925192491.db2.gz OZYUDDBNWGIVNG-MWLCHTKSSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CCn1cnnn1 ZINC001404354382 925193194 /nfs/dbraw/zinc/19/31/94/925193194.db2.gz VFBPNKHFIXMFKA-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001404386833 925195501 /nfs/dbraw/zinc/19/55/01/925195501.db2.gz KGVGLUCZNMZSBT-PHIMTYICSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001404506907 925199909 /nfs/dbraw/zinc/19/99/09/925199909.db2.gz OIUOBGZZVQWSEE-RYUDHWBXSA-N 1 1 316.402 -1.249 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001404511300 925200015 /nfs/dbraw/zinc/20/00/15/925200015.db2.gz RPDMZRFUGVWDIE-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001404514874 925200689 /nfs/dbraw/zinc/20/06/89/925200689.db2.gz MGWZFXODJVQMJR-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001404500733 925200921 /nfs/dbraw/zinc/20/09/21/925200921.db2.gz YGVMALKHAPPHCW-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)c3nnn(C)n3)C2)n1 ZINC001404515598 925202632 /nfs/dbraw/zinc/20/26/32/925202632.db2.gz FVCPBJJAVVEMFY-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@@H](CCNC(=O)c3nnn(C)n3)C2)n1 ZINC001404515598 925202640 /nfs/dbraw/zinc/20/26/40/925202640.db2.gz FVCPBJJAVVEMFY-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001404525349 925202860 /nfs/dbraw/zinc/20/28/60/925202860.db2.gz OELASWNCUHZGDF-GHMZBOCLSA-N 1 1 322.431 -1.751 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404560682 925204069 /nfs/dbraw/zinc/20/40/69/925204069.db2.gz CUHKASLLTROVBT-NEPJUHHUSA-N 1 1 312.374 -1.539 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001404578295 925205463 /nfs/dbraw/zinc/20/54/63/925205463.db2.gz PBWMXKWXBCWWLT-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCF)C1 ZINC001404581344 925205723 /nfs/dbraw/zinc/20/57/23/925205723.db2.gz SZVRMBVYEMKXID-GFCCVEGCSA-N 1 1 316.377 -1.012 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001404609114 925206205 /nfs/dbraw/zinc/20/62/05/925206205.db2.gz WMKAFDVEYKRUOL-NSHDSACASA-N 1 1 323.397 -1.136 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001404590725 925206331 /nfs/dbraw/zinc/20/63/31/925206331.db2.gz QMNYSQUUTXQSBP-JTQLQIEISA-N 1 1 307.354 -1.038 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001404622618 925206495 /nfs/dbraw/zinc/20/64/95/925206495.db2.gz WXYKEKJCBQQQQV-UHFFFAOYSA-N 1 1 312.414 -1.419 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001404626397 925207038 /nfs/dbraw/zinc/20/70/38/925207038.db2.gz YZBKLXQWWJMICA-UHFFFAOYSA-N 1 1 323.357 -1.216 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001404604753 925207286 /nfs/dbraw/zinc/20/72/86/925207286.db2.gz QGRYQSHOWLXERN-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001404615753 925207417 /nfs/dbraw/zinc/20/74/17/925207417.db2.gz LKDIFFWWWFRBKD-SNVBAGLBSA-N 1 1 309.374 -1.283 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001404693729 925209972 /nfs/dbraw/zinc/20/99/72/925209972.db2.gz WWIOUIJIVYQWRY-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001404668353 925210056 /nfs/dbraw/zinc/21/00/56/925210056.db2.gz AKXBZTQGXQLGTA-MXWKQRLJSA-N 1 1 300.359 -1.744 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404712421 925211525 /nfs/dbraw/zinc/21/15/25/925211525.db2.gz YQHZBIXLOBZWGM-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1)OC ZINC001404775871 925214469 /nfs/dbraw/zinc/21/44/69/925214469.db2.gz AALJSNWWIQSDHC-GFCCVEGCSA-N 1 1 314.386 -1.536 20 0 DAADMO CN1CC[C@@H](N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001404810913 925217234 /nfs/dbraw/zinc/21/72/34/925217234.db2.gz MMDSQDJBDIBRLD-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1cc(CN2CC(NC(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001404809097 925217548 /nfs/dbraw/zinc/21/75/48/925217548.db2.gz JOUNXNFJSOWACW-UHFFFAOYSA-N 1 1 308.386 -1.162 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001404875976 925222691 /nfs/dbraw/zinc/22/26/91/925222691.db2.gz NPLDAFVRMJGEFN-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CCN(C(=O)C[NH+]1CC(CNC(=O)Cn2ncnn2)C1)C1CC1 ZINC001404874415 925223489 /nfs/dbraw/zinc/22/34/89/925223489.db2.gz OBSFDZPTEAYACC-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN([C@H]2CCNC2=O)C1 ZINC001404910288 925225499 /nfs/dbraw/zinc/22/54/99/925225499.db2.gz LHGFCYRDMZEQMC-ZDUSSCGKSA-N 1 1 310.398 -1.355 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001404959653 925226845 /nfs/dbraw/zinc/22/68/45/925226845.db2.gz KLTNHOBUOSFGPN-DLOVCJGASA-N 1 1 312.370 -2.095 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)C1CC1 ZINC001404955768 925226892 /nfs/dbraw/zinc/22/68/92/925226892.db2.gz OPBKIGSQMSJFJK-AVGNSLFASA-N 1 1 311.382 -1.195 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N ZINC001404946255 925226986 /nfs/dbraw/zinc/22/69/86/925226986.db2.gz FBIARAFXVAAWKN-DCAQKATOSA-N 1 1 309.370 -1.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1N ZINC001404946255 925226992 /nfs/dbraw/zinc/22/69/92/925226992.db2.gz FBIARAFXVAAWKN-DCAQKATOSA-N 1 1 309.370 -1.092 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001404957480 925227743 /nfs/dbraw/zinc/22/77/43/925227743.db2.gz FWZWONHNWPVHLA-SDDRHHMPSA-N 1 1 323.397 -1.049 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)COC ZINC001404973909 925228852 /nfs/dbraw/zinc/22/88/52/925228852.db2.gz SVPIAXIFJPSEEN-DCAQKATOSA-N 1 1 320.415 -1.640 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCNC(N)=O)C1=O ZINC001404984591 925228917 /nfs/dbraw/zinc/22/89/17/925228917.db2.gz NSBRWTBDCXZBMK-SRVKXCTJSA-N 1 1 323.397 -1.049 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)COC ZINC001404973914 925229069 /nfs/dbraw/zinc/22/90/69/925229069.db2.gz SVPIAXIFJPSEEN-VWYCJHECSA-N 1 1 320.415 -1.640 20 0 DAADMO CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001404979715 925229513 /nfs/dbraw/zinc/22/95/13/925229513.db2.gz MGRJOUWZQHVISP-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(N)=O)C1 ZINC001404987950 925229966 /nfs/dbraw/zinc/22/99/66/925229966.db2.gz VMLSSXCDHLGMEK-DCAQKATOSA-N 1 1 309.370 -1.582 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405001814 925231536 /nfs/dbraw/zinc/23/15/36/925231536.db2.gz OGENIPWACVSRBW-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405001814 925231547 /nfs/dbraw/zinc/23/15/47/925231547.db2.gz OGENIPWACVSRBW-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405030854 925232461 /nfs/dbraw/zinc/23/24/61/925232461.db2.gz QXBZWDVHIDKPQK-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405030854 925232468 /nfs/dbraw/zinc/23/24/68/925232468.db2.gz QXBZWDVHIDKPQK-NEPJUHHUSA-N 1 1 321.381 -1.042 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001405021281 925232661 /nfs/dbraw/zinc/23/26/61/925232661.db2.gz SOMBHGSTBLSISL-DCAQKATOSA-N 1 1 300.359 -1.792 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001405031102 925232692 /nfs/dbraw/zinc/23/26/92/925232692.db2.gz LMQBYMVEULRQRL-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001405020718 925233227 /nfs/dbraw/zinc/23/32/27/925233227.db2.gz UFGNKIJZNKFDAF-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001405020718 925233234 /nfs/dbraw/zinc/23/32/34/925233234.db2.gz UFGNKIJZNKFDAF-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001405030870 925233418 /nfs/dbraw/zinc/23/34/18/925233418.db2.gz JEAFWFTVBOWDOX-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001405030870 925233425 /nfs/dbraw/zinc/23/34/25/925233425.db2.gz JEAFWFTVBOWDOX-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001405049424 925234912 /nfs/dbraw/zinc/23/49/12/925234912.db2.gz KVNYBSWQGJDGER-WDEREUQCSA-N 1 1 324.385 -1.102 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001405054270 925235073 /nfs/dbraw/zinc/23/50/73/925235073.db2.gz RNNDJFWMGFXEDV-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001405044733 925235845 /nfs/dbraw/zinc/23/58/45/925235845.db2.gz DNSWUSLDARYOFQ-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001405060064 925237683 /nfs/dbraw/zinc/23/76/83/925237683.db2.gz YOUAZBVIZACPNT-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001405095605 925239394 /nfs/dbraw/zinc/23/93/94/925239394.db2.gz WUSZVMBBULQKEB-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001405095605 925239403 /nfs/dbraw/zinc/23/94/03/925239403.db2.gz WUSZVMBBULQKEB-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001405117082 925239880 /nfs/dbraw/zinc/23/98/80/925239880.db2.gz LVBLJXSKRHSAFH-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122947 925241556 /nfs/dbraw/zinc/24/15/56/925241556.db2.gz KWOJRHAMGIPBIY-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122947 925241566 /nfs/dbraw/zinc/24/15/66/925241566.db2.gz KWOJRHAMGIPBIY-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001405180412 925242742 /nfs/dbraw/zinc/24/27/42/925242742.db2.gz ZHCZNPACAOBMEA-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001405167049 925243633 /nfs/dbraw/zinc/24/36/33/925243633.db2.gz INBZRHZJQKNIAA-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001405167049 925243639 /nfs/dbraw/zinc/24/36/39/925243639.db2.gz INBZRHZJQKNIAA-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001405207584 925250370 /nfs/dbraw/zinc/25/03/70/925250370.db2.gz GUPTWHJTAYNREM-ZJUUUORDSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214590 925252988 /nfs/dbraw/zinc/25/29/88/925252988.db2.gz DOWZTOLIUWOULK-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214590 925252993 /nfs/dbraw/zinc/25/29/93/925252993.db2.gz DOWZTOLIUWOULK-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001405224929 925256028 /nfs/dbraw/zinc/25/60/28/925256028.db2.gz MBSSAJAHUCWIMO-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001405224154 925256196 /nfs/dbraw/zinc/25/61/96/925256196.db2.gz LBMXKBYODDUTNK-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ccncn1 ZINC001405236970 925261581 /nfs/dbraw/zinc/26/15/81/925261581.db2.gz XCDIKRQSIFWYEM-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nccnc1N ZINC001405237827 925264143 /nfs/dbraw/zinc/26/41/43/925264143.db2.gz YCMKTAFTKCHUFX-ZJUUUORDSA-N 1 1 322.369 -1.640 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nccnc1N ZINC001405237823 925264416 /nfs/dbraw/zinc/26/44/16/925264416.db2.gz YCMKTAFTKCHUFX-UWVGGRQHSA-N 1 1 322.369 -1.640 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405240703 925265206 /nfs/dbraw/zinc/26/52/06/925265206.db2.gz NGQPHSVHYPRVDH-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405240703 925265215 /nfs/dbraw/zinc/26/52/15/925265215.db2.gz NGQPHSVHYPRVDH-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242782 925267249 /nfs/dbraw/zinc/26/72/49/925267249.db2.gz RCLRSRYQDTVXOO-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccccn2)C1 ZINC001405242782 925267255 /nfs/dbraw/zinc/26/72/55/925267255.db2.gz RCLRSRYQDTVXOO-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001405248925 925268695 /nfs/dbraw/zinc/26/86/95/925268695.db2.gz HPSGXOQADOQOMZ-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001405258242 925271677 /nfs/dbraw/zinc/27/16/77/925271677.db2.gz IANNNDNLVGKSOI-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1nnc[nH]1 ZINC001405259386 925271757 /nfs/dbraw/zinc/27/17/57/925271757.db2.gz GPJOAPXRXCCUKH-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259386 925271764 /nfs/dbraw/zinc/27/17/64/925271764.db2.gz GPJOAPXRXCCUKH-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259386 925271773 /nfs/dbraw/zinc/27/17/73/925271773.db2.gz GPJOAPXRXCCUKH-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259386 925271799 /nfs/dbraw/zinc/27/17/99/925271799.db2.gz GPJOAPXRXCCUKH-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259386 925271808 /nfs/dbraw/zinc/27/18/08/925271808.db2.gz GPJOAPXRXCCUKH-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)cnn1 ZINC001405265941 925274968 /nfs/dbraw/zinc/27/49/68/925274968.db2.gz RVEZQPGOTSNWEJ-YPMHNXCESA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001405265933 925275166 /nfs/dbraw/zinc/27/51/66/925275166.db2.gz RVEZQPGOTSNWEJ-WCQYABFASA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccnnc2)C1 ZINC001405281405 925276157 /nfs/dbraw/zinc/27/61/57/925276157.db2.gz HHUUQFASSUTODP-RYUDHWBXSA-N 1 1 307.354 -1.365 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001405274546 925276385 /nfs/dbraw/zinc/27/63/85/925276385.db2.gz OEGCJMJDBOZXMO-NSHDSACASA-N 1 1 323.401 -1.769 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405279230 925276782 /nfs/dbraw/zinc/27/67/82/925276782.db2.gz FPKBDVOWOVQTNA-NWDGAFQWSA-N 1 1 310.354 -1.179 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001405281397 925276871 /nfs/dbraw/zinc/27/68/71/925276871.db2.gz HHUUQFASSUTODP-NWDGAFQWSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1ncnn1 ZINC001405285875 925277323 /nfs/dbraw/zinc/27/73/23/925277323.db2.gz GOLMXJHCULIASP-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCn2cncn2)C1 ZINC001405282662 925277606 /nfs/dbraw/zinc/27/76/06/925277606.db2.gz KOJDTOFCEVLSKE-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001405285880 925277842 /nfs/dbraw/zinc/27/78/42/925277842.db2.gz GOLMXJHCULIASP-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001405288548 925279489 /nfs/dbraw/zinc/27/94/89/925279489.db2.gz KXWAUSFDNMMVNP-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001405301288 925281483 /nfs/dbraw/zinc/28/14/83/925281483.db2.gz XUONNUMMIYVNEJ-ZOWXZIJZSA-N 1 1 313.398 -1.044 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC001405304848 925282990 /nfs/dbraw/zinc/28/29/90/925282990.db2.gz LCJJSQXGSYDYRH-NXEZZACHSA-N 1 1 316.358 -1.972 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405319135 925287071 /nfs/dbraw/zinc/28/70/71/925287071.db2.gz LVCWDAXNCVIROI-RYUDHWBXSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)n1 ZINC001405326177 925288312 /nfs/dbraw/zinc/28/83/12/925288312.db2.gz XDHLDFKVMLQKHM-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001405326199 925289230 /nfs/dbraw/zinc/28/92/30/925289230.db2.gz RZWIBVZKXGQHRT-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001405326206 925289259 /nfs/dbraw/zinc/28/92/59/925289259.db2.gz RZWIBVZKXGQHRT-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001405334827 925290164 /nfs/dbraw/zinc/29/01/64/925290164.db2.gz LRFLZORHFCWSLI-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1csnn1 ZINC001405339917 925291674 /nfs/dbraw/zinc/29/16/74/925291674.db2.gz RYMGPEIVUMGXNV-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn(C)n2)C1 ZINC001405351587 925295091 /nfs/dbraw/zinc/29/50/91/925295091.db2.gz OFHGNWIMHLWSHA-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn(C)n2)C1 ZINC001405351596 925295684 /nfs/dbraw/zinc/29/56/84/925295684.db2.gz OFHGNWIMHLWSHA-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn(C)n2)C1 ZINC001405351593 925295750 /nfs/dbraw/zinc/29/57/50/925295750.db2.gz OFHGNWIMHLWSHA-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001405362151 925296399 /nfs/dbraw/zinc/29/63/99/925296399.db2.gz XKKRBAAGWFJMIX-WDEREUQCSA-N 1 1 324.385 -1.338 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001405380538 925303344 /nfs/dbraw/zinc/30/33/44/925303344.db2.gz FUDYGSBBIZLWFF-GHMZBOCLSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001405386650 925303825 /nfs/dbraw/zinc/30/38/25/925303825.db2.gz HGRPTJXBRDZEBZ-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001405386659 925304432 /nfs/dbraw/zinc/30/44/32/925304432.db2.gz HGRPTJXBRDZEBZ-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1ccnnc1 ZINC001405396287 925306062 /nfs/dbraw/zinc/30/60/62/925306062.db2.gz SYVKXSUBEJSUTD-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399262 925306153 /nfs/dbraw/zinc/30/61/53/925306153.db2.gz XRPAOEFFVLNKBG-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccnnc2)C1 ZINC001405399262 925306163 /nfs/dbraw/zinc/30/61/63/925306163.db2.gz XRPAOEFFVLNKBG-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001405399291 925307058 /nfs/dbraw/zinc/30/70/58/925307058.db2.gz UZMJXQNXXPQGDG-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001405399727 925307579 /nfs/dbraw/zinc/30/75/79/925307579.db2.gz POTPHSRPBBOYGP-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001405399734 925308728 /nfs/dbraw/zinc/30/87/28/925308728.db2.gz POTPHSRPBBOYGP-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001405575541 925315431 /nfs/dbraw/zinc/31/54/31/925315431.db2.gz XHFQMKPSERPFCU-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001405582055 925316855 /nfs/dbraw/zinc/31/68/55/925316855.db2.gz OPWVTPVTDKRGQN-GXSJLCMTSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001405593178 925318777 /nfs/dbraw/zinc/31/87/77/925318777.db2.gz RSVQOXLYHQEOIB-MWLCHTKSSA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@H](O)CNC(=O)CNC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405598621 925319729 /nfs/dbraw/zinc/31/97/29/925319729.db2.gz KGBZUXSUPOEPCZ-NXEZZACHSA-N 1 1 315.374 -2.458 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405605890 925320920 /nfs/dbraw/zinc/32/09/20/925320920.db2.gz SVQUMVZVDOZMGT-WDEREUQCSA-N 1 1 309.370 -1.090 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001405611291 925322623 /nfs/dbraw/zinc/32/26/23/925322623.db2.gz WHDNVTXHTAWVBT-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001405611291 925322632 /nfs/dbraw/zinc/32/26/32/925322632.db2.gz WHDNVTXHTAWVBT-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001405611291 925322641 /nfs/dbraw/zinc/32/26/41/925322641.db2.gz WHDNVTXHTAWVBT-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627268 925324908 /nfs/dbraw/zinc/32/49/08/925324908.db2.gz XYXHOQGQCSWVNV-KOLCDFICSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627268 925324919 /nfs/dbraw/zinc/32/49/19/925324919.db2.gz XYXHOQGQCSWVNV-KOLCDFICSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001405656687 925328566 /nfs/dbraw/zinc/32/85/66/925328566.db2.gz HSFNGFISLNDEBF-ONGXEEELSA-N 1 1 312.374 -1.306 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001405662569 925329205 /nfs/dbraw/zinc/32/92/05/925329205.db2.gz FRFQXOUEXOXSPS-NXEZZACHSA-N 1 1 309.374 -1.422 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cncn1 ZINC001405673648 925330010 /nfs/dbraw/zinc/33/00/10/925330010.db2.gz VQISGCQBVFKDCX-VXGBXAGGSA-N 1 1 324.385 -1.835 20 0 DAADMO C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1nnn(C)n1 ZINC001405719925 925332923 /nfs/dbraw/zinc/33/29/23/925332923.db2.gz QGKNXSKRQARNLB-SNVBAGLBSA-N 1 1 321.389 -1.187 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001405830372 925337270 /nfs/dbraw/zinc/33/72/70/925337270.db2.gz URTJEOVSGADPAM-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001405879362 925339478 /nfs/dbraw/zinc/33/94/78/925339478.db2.gz XUCRJKUHRZDUEG-APPZFPTMSA-N 1 1 310.314 -1.396 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001405874872 925340283 /nfs/dbraw/zinc/34/02/83/925340283.db2.gz SIRBJJPKOADIIW-UWVGGRQHSA-N 1 1 309.374 -1.084 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001406083192 925342178 /nfs/dbraw/zinc/34/21/78/925342178.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001406083192 925342191 /nfs/dbraw/zinc/34/21/91/925342191.db2.gz JPBMAMGDJIHPTL-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001406049645 925342363 /nfs/dbraw/zinc/34/23/63/925342363.db2.gz QRVPYEXYYLNCCH-SECBINFHSA-N 1 1 312.378 -1.631 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)Cn1cnnn1 ZINC001406066386 925342635 /nfs/dbraw/zinc/34/26/35/925342635.db2.gz MYEYTPFBYOCRBL-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001406077752 925342837 /nfs/dbraw/zinc/34/28/37/925342837.db2.gz SEQOLARXSYCJQU-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001406077752 925342846 /nfs/dbraw/zinc/34/28/46/925342846.db2.gz SEQOLARXSYCJQU-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CC(C)[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001406027594 925342867 /nfs/dbraw/zinc/34/28/67/925342867.db2.gz GRNSUBQPLQXCRJ-NSHDSACASA-N 1 1 323.357 -1.105 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C ZINC001406031145 925342956 /nfs/dbraw/zinc/34/29/56/925342956.db2.gz HAPUIKMJXOOULT-DTWKUNHWSA-N 1 1 310.362 -1.878 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001406083197 925343611 /nfs/dbraw/zinc/34/36/11/925343611.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001406083197 925343623 /nfs/dbraw/zinc/34/36/23/925343623.db2.gz JPBMAMGDJIHPTL-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001406097607 925344381 /nfs/dbraw/zinc/34/43/81/925344381.db2.gz PUIJYHKDNKKGHZ-YUMQZZPRSA-N 1 1 315.330 -1.932 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001406097607 925344387 /nfs/dbraw/zinc/34/43/87/925344387.db2.gz PUIJYHKDNKKGHZ-YUMQZZPRSA-N 1 1 315.330 -1.932 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001406105937 925344945 /nfs/dbraw/zinc/34/49/45/925344945.db2.gz LAJUWZZLLCJALB-UHFFFAOYSA-N 1 1 310.358 -1.452 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001406105937 925344954 /nfs/dbraw/zinc/34/49/54/925344954.db2.gz LAJUWZZLLCJALB-UHFFFAOYSA-N 1 1 310.358 -1.452 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001406114822 925345192 /nfs/dbraw/zinc/34/51/92/925345192.db2.gz YQXQIVHMYJZMIC-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001406114822 925345199 /nfs/dbraw/zinc/34/51/99/925345199.db2.gz YQXQIVHMYJZMIC-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406100321 925346148 /nfs/dbraw/zinc/34/61/48/925346148.db2.gz CVYWILAFZXSZRX-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406100321 925346159 /nfs/dbraw/zinc/34/61/59/925346159.db2.gz CVYWILAFZXSZRX-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001406175039 925347135 /nfs/dbraw/zinc/34/71/35/925347135.db2.gz DQCOIZZLKJPKDE-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)c1nnn(C)n1 ZINC001406130108 925347717 /nfs/dbraw/zinc/34/77/17/925347717.db2.gz YTWPLANTAYPYOF-JTQLQIEISA-N 1 1 319.373 -1.007 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001406137731 925348140 /nfs/dbraw/zinc/34/81/40/925348140.db2.gz HLQZFLZOSDJMTO-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001406137731 925348149 /nfs/dbraw/zinc/34/81/49/925348149.db2.gz HLQZFLZOSDJMTO-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406146365 925348328 /nfs/dbraw/zinc/34/83/28/925348328.db2.gz DWYUBZFQUIGQJC-UHFFFAOYSA-N 1 1 315.374 -1.514 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406146365 925348337 /nfs/dbraw/zinc/34/83/37/925348337.db2.gz DWYUBZFQUIGQJC-UHFFFAOYSA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001406147668 925348415 /nfs/dbraw/zinc/34/84/15/925348415.db2.gz PKBGMVGFFZRMQA-VIFPVBQESA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001406147668 925348423 /nfs/dbraw/zinc/34/84/23/925348423.db2.gz PKBGMVGFFZRMQA-VIFPVBQESA-N 1 1 322.431 -1.422 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001406132590 925348505 /nfs/dbraw/zinc/34/85/05/925348505.db2.gz UKGWPVSXYXJUAO-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001406132590 925348517 /nfs/dbraw/zinc/34/85/17/925348517.db2.gz UKGWPVSXYXJUAO-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1nnccc1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406123649 925348710 /nfs/dbraw/zinc/34/87/10/925348710.db2.gz PWYXWYLWNMTJLW-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1nnccc1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406123649 925348714 /nfs/dbraw/zinc/34/87/14/925348714.db2.gz PWYXWYLWNMTJLW-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)c1nnn(C)n1 ZINC001406130130 925348785 /nfs/dbraw/zinc/34/87/85/925348785.db2.gz YTWPLANTAYPYOF-SNVBAGLBSA-N 1 1 319.373 -1.007 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001406132576 925349327 /nfs/dbraw/zinc/34/93/27/925349327.db2.gz UKGWPVSXYXJUAO-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001406132576 925349336 /nfs/dbraw/zinc/34/93/36/925349336.db2.gz UKGWPVSXYXJUAO-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cn[nH]c1 ZINC001406147623 925349491 /nfs/dbraw/zinc/34/94/91/925349491.db2.gz OTJJOGIEMOGYLF-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1cn[nH]c1 ZINC001406147623 925349498 /nfs/dbraw/zinc/34/94/98/925349498.db2.gz OTJJOGIEMOGYLF-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n2cncn2)[nH]1 ZINC001406199824 925351976 /nfs/dbraw/zinc/35/19/76/925351976.db2.gz AKXNIAOIMJMPIC-PSASIEDQSA-N 1 1 308.346 -1.467 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001406198565 925352031 /nfs/dbraw/zinc/35/20/31/925352031.db2.gz BMEZPSCVZDRNGG-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)n1cccn1 ZINC001406202150 925352128 /nfs/dbraw/zinc/35/21/28/925352128.db2.gz DRFLXTXGUKZDCZ-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001406198317 925352858 /nfs/dbraw/zinc/35/28/58/925352858.db2.gz BCLWSOLGXFQJDF-CBAPKCEASA-N 1 1 301.372 -1.233 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC001406206205 925354893 /nfs/dbraw/zinc/35/48/93/925354893.db2.gz HRSTWSQIBXARAG-GXSJLCMTSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]2CCOC2)nn1 ZINC001406208354 925355288 /nfs/dbraw/zinc/35/52/88/925355288.db2.gz GBXWLDTYPGSXDD-NEPJUHHUSA-N 1 1 313.358 -1.813 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406205361 925356062 /nfs/dbraw/zinc/35/60/62/925356062.db2.gz CWSPLZWFIOGKMF-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001406214790 925356451 /nfs/dbraw/zinc/35/64/51/925356451.db2.gz PWDTYIYMZWLCFD-WDEREUQCSA-N 1 1 312.374 -1.407 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001406210108 925356895 /nfs/dbraw/zinc/35/68/95/925356895.db2.gz LEOAOJAOUHEJKE-YUMQZZPRSA-N 1 1 301.372 -1.233 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001406214750 925357908 /nfs/dbraw/zinc/35/79/08/925357908.db2.gz PWDTYIYMZWLCFD-GHMZBOCLSA-N 1 1 312.374 -1.407 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)c1nnnn1C ZINC001406218118 925358614 /nfs/dbraw/zinc/35/86/14/925358614.db2.gz PXEOPJNFMFOGBD-SFYZADRCSA-N 1 1 320.375 -2.618 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)on1 ZINC001406219528 925359095 /nfs/dbraw/zinc/35/90/95/925359095.db2.gz RCVWHJQZECAOOZ-VIFPVBQESA-N 1 1 305.356 -1.406 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001406219824 925359347 /nfs/dbraw/zinc/35/93/47/925359347.db2.gz VCFUSXNNENIAAY-NXEZZACHSA-N 1 1 310.358 -1.917 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001406215514 925360216 /nfs/dbraw/zinc/36/02/16/925360216.db2.gz OCZZFNBBLYUMCE-NXEZZACHSA-N 1 1 310.354 -1.056 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)on1 ZINC001406219523 925360367 /nfs/dbraw/zinc/36/03/67/925360367.db2.gz RCVWHJQZECAOOZ-SECBINFHSA-N 1 1 305.356 -1.406 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001406215533 925360466 /nfs/dbraw/zinc/36/04/66/925360466.db2.gz OCZZFNBBLYUMCE-UWVGGRQHSA-N 1 1 310.354 -1.056 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cncnc1)c1nnnn1C ZINC001406217445 925360548 /nfs/dbraw/zinc/36/05/48/925360548.db2.gz PIXGLWLQBVGSRJ-WPRPVWTQSA-N 1 1 306.330 -1.558 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)[nH]n1 ZINC001406215624 925360589 /nfs/dbraw/zinc/36/05/89/925360589.db2.gz MJJOVOYEKOXCMB-JTQLQIEISA-N 1 1 320.357 -1.080 20 0 DAADMO Cc1noc(CNC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001406223420 925361075 /nfs/dbraw/zinc/36/10/75/925361075.db2.gz YNHZGFRDDGIARO-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CNC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001406223420 925361086 /nfs/dbraw/zinc/36/10/86/925361086.db2.gz YNHZGFRDDGIARO-WDEREUQCSA-N 1 1 313.358 -1.725 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccon1)c1nnnn1C ZINC001406223039 925361807 /nfs/dbraw/zinc/36/18/07/925361807.db2.gz QRHSKCLOQSHCHF-WCBMZHEXSA-N 1 1 309.330 -1.432 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406223903 925362388 /nfs/dbraw/zinc/36/23/88/925362388.db2.gz QOOKVBINPNUOLH-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)c1 ZINC001406221552 925362502 /nfs/dbraw/zinc/36/25/02/925362502.db2.gz SXIDSPIABZRSHU-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@](C)(O)C2CC2)n1 ZINC001406224635 925363595 /nfs/dbraw/zinc/36/35/95/925363595.db2.gz XZWMQBUIATVMQR-TZMCWYRMSA-N 1 1 311.386 -1.067 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001406229638 925365444 /nfs/dbraw/zinc/36/54/44/925365444.db2.gz WQYQICAYPAAKPE-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nncn2C)[nH]1 ZINC001406228657 925366338 /nfs/dbraw/zinc/36/63/38/925366338.db2.gz YVKIWRDYYZELEK-WCBMZHEXSA-N 1 1 322.373 -1.388 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001406229200 925366889 /nfs/dbraw/zinc/36/68/89/925366889.db2.gz VVSWQRDUVAWAKZ-SECBINFHSA-N 1 1 308.346 -1.313 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406235475 925368106 /nfs/dbraw/zinc/36/81/06/925368106.db2.gz PGUQPLOFKVUNMR-MWLCHTKSSA-N 1 1 312.374 -1.704 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)no1 ZINC001406239732 925369977 /nfs/dbraw/zinc/36/99/77/925369977.db2.gz JCLRXTLBRISRNE-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)cc1=O ZINC001406243055 925371202 /nfs/dbraw/zinc/37/12/02/925371202.db2.gz LGQOXEYANARNPF-SNVBAGLBSA-N 1 1 307.310 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(=O)n(C)cn2)[nH]1 ZINC001406243132 925371459 /nfs/dbraw/zinc/37/14/59/925371459.db2.gz LYVGJXQCJSPLIQ-SECBINFHSA-N 1 1 321.341 -1.913 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@H]1CCCC(=O)N1 ZINC001406246457 925372421 /nfs/dbraw/zinc/37/24/21/925372421.db2.gz NDYQFGKLVGVEQQ-RKDXNWHRSA-N 1 1 313.383 -1.227 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406244972 925372606 /nfs/dbraw/zinc/37/26/06/925372606.db2.gz NJZFWTMBRVCQOQ-SCVCMEIPSA-N 1 1 312.374 -1.408 20 0 DAADMO COc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)n1 ZINC001406245408 925373112 /nfs/dbraw/zinc/37/31/12/925373112.db2.gz PSNPBAGJZBBEQC-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C2(F)CCOCC2)nn1 ZINC001406245269 925373312 /nfs/dbraw/zinc/37/33/12/925373312.db2.gz QJELIWHOZSUBST-LLVKDONJSA-N 1 1 315.349 -1.100 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001406245328 925373909 /nfs/dbraw/zinc/37/39/09/925373909.db2.gz QNMBUIHGNGOSES-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001406245371 925374231 /nfs/dbraw/zinc/37/42/31/925374231.db2.gz PLSPLYWMHXODIC-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001406248708 925374615 /nfs/dbraw/zinc/37/46/15/925374615.db2.gz ULZICOAUHHKFJQ-YRGRVCCFSA-N 1 1 324.381 -1.104 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1ccon1)c1nnnn1C ZINC001406248025 925374681 /nfs/dbraw/zinc/37/46/81/925374681.db2.gz QVWUWLYFSQWAKT-GXSJLCMTSA-N 1 1 323.357 -1.041 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001406247329 925375392 /nfs/dbraw/zinc/37/53/92/925375392.db2.gz OHLPXLCMWLWFJE-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001406249168 925375806 /nfs/dbraw/zinc/37/58/06/925375806.db2.gz SYXQBPCRIROTON-WCBMZHEXSA-N 1 1 319.387 -2.185 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C(=O)C2)nn1 ZINC001406253015 925377602 /nfs/dbraw/zinc/37/76/02/925377602.db2.gz ZDBSTVVQXGUSKU-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406253252 925378232 /nfs/dbraw/zinc/37/82/32/925378232.db2.gz JSUBECGMGDCSQE-SCZZXKLOSA-N 1 1 312.330 -2.032 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406255060 925378677 /nfs/dbraw/zinc/37/86/77/925378677.db2.gz NVXSZXFFXJISFZ-UWVGGRQHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406254952 925378751 /nfs/dbraw/zinc/37/87/51/925378751.db2.gz CIRGRQZSLDCSHO-JTQLQIEISA-N 1 1 321.341 -1.500 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1C ZINC001406253894 925378797 /nfs/dbraw/zinc/37/87/97/925378797.db2.gz AYPGZILQZMNYKZ-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C)c1nncn1C ZINC001406254481 925379129 /nfs/dbraw/zinc/37/91/29/925379129.db2.gz KCKVCHHKCXEUBV-IUCAKERBSA-N 1 1 323.357 -1.304 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)c1=O ZINC001406255995 925379173 /nfs/dbraw/zinc/37/91/73/925379173.db2.gz OSESQKPTTFVZFP-SNVBAGLBSA-N 1 1 321.341 -2.361 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)CC[NH+](C)C)nc1=O ZINC001406255217 925379224 /nfs/dbraw/zinc/37/92/24/925379224.db2.gz GIDHSTNVQHESDD-VIFPVBQESA-N 1 1 300.363 -2.373 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001406255807 925379488 /nfs/dbraw/zinc/37/94/88/925379488.db2.gz ZUNVSKYUKZCANP-NSHDSACASA-N 1 1 312.326 -1.900 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 ZINC001406255991 925379554 /nfs/dbraw/zinc/37/95/54/925379554.db2.gz OQKCSSQCHZLNRH-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nc1 ZINC001406255989 925379679 /nfs/dbraw/zinc/37/96/79/925379679.db2.gz OQKCSSQCHZLNRH-NWDGAFQWSA-N 1 1 321.381 -1.122 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001406255804 925380208 /nfs/dbraw/zinc/38/02/08/925380208.db2.gz ZUNVSKYUKZCANP-LLVKDONJSA-N 1 1 312.326 -1.900 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)c1=O ZINC001406255994 925380282 /nfs/dbraw/zinc/38/02/82/925380282.db2.gz OSESQKPTTFVZFP-JTQLQIEISA-N 1 1 321.341 -2.361 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001406255062 925380324 /nfs/dbraw/zinc/38/03/24/925380324.db2.gz NVXSZXFFXJISFZ-ZJUUUORDSA-N 1 1 322.373 -1.306 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406257040 925380984 /nfs/dbraw/zinc/38/09/84/925380984.db2.gz GQMZHFJMLCRUSP-VHSXEESVSA-N 1 1 313.362 -2.309 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406257044 925381458 /nfs/dbraw/zinc/38/14/58/925381458.db2.gz GQMZHFJMLCRUSP-ZJUUUORDSA-N 1 1 313.362 -2.309 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001406264389 925386898 /nfs/dbraw/zinc/38/68/98/925386898.db2.gz URMGSFFIFXDXCZ-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cccn(C)c2=O)n1 ZINC001406270713 925387301 /nfs/dbraw/zinc/38/73/01/925387301.db2.gz AVEMVXFGGCFJQC-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406272658 925388509 /nfs/dbraw/zinc/38/85/09/925388509.db2.gz PUVXGIBNCTZKET-JTQLQIEISA-N 1 1 307.310 -1.351 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001406276850 925389502 /nfs/dbraw/zinc/38/95/02/925389502.db2.gz FDKFZGOCKZBHLB-MRVPVSSYSA-N 1 1 322.412 -1.741 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001406277811 925389836 /nfs/dbraw/zinc/38/98/36/925389836.db2.gz YGQDYTSQQXLHQC-VHSXEESVSA-N 1 1 308.342 -1.967 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001406275767 925390340 /nfs/dbraw/zinc/39/03/40/925390340.db2.gz FXNGGMJNNYTKLM-VIFPVBQESA-N 1 1 321.341 -1.208 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001406273917 925390522 /nfs/dbraw/zinc/39/05/22/925390522.db2.gz HCLHNUIWOVEKED-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406281949 925391938 /nfs/dbraw/zinc/39/19/38/925391938.db2.gz MEPGANPYVHEKQG-GFCCVEGCSA-N 1 1 321.385 -1.036 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001406279159 925392335 /nfs/dbraw/zinc/39/23/35/925392335.db2.gz SINMDRKYNZJNLC-VXGBXAGGSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406281805 925392593 /nfs/dbraw/zinc/39/25/93/925392593.db2.gz LXFYXUMIPCOMHM-LBPRGKRZSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1)c1cnccn1 ZINC001406281517 925392626 /nfs/dbraw/zinc/39/26/26/925392626.db2.gz JLNKENOVNQNIFL-ZJUUUORDSA-N 1 1 305.342 -1.035 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ncccn1 ZINC001406284243 925393798 /nfs/dbraw/zinc/39/37/98/925393798.db2.gz SWWSJZZJEIQDGS-NSHDSACASA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cncn2C)nn1 ZINC001406287860 925394215 /nfs/dbraw/zinc/39/42/15/925394215.db2.gz TYCQCFHPIYUMKP-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001406283785 925394480 /nfs/dbraw/zinc/39/44/80/925394480.db2.gz KITGLHIKJVGHNV-ZWNOBZJWSA-N 1 1 321.385 -1.016 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1)c1nncn1C ZINC001406287667 925394693 /nfs/dbraw/zinc/39/46/93/925394693.db2.gz XQZFYLKKNKDFQX-IUCAKERBSA-N 1 1 308.346 -1.615 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)N1CCCCCC1 ZINC001406287967 925394794 /nfs/dbraw/zinc/39/47/94/925394794.db2.gz YNCUDXYOSNGAAB-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)N1CCCCCC1 ZINC001406287967 925394800 /nfs/dbraw/zinc/39/48/00/925394800.db2.gz YNCUDXYOSNGAAB-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406287150 925395772 /nfs/dbraw/zinc/39/57/72/925395772.db2.gz MAEODIRODMLDCR-ZWNOBZJWSA-N 1 1 321.385 -1.016 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001406290553 925397561 /nfs/dbraw/zinc/39/75/61/925397561.db2.gz RDDXOYCLYXNXIZ-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001406290553 925397571 /nfs/dbraw/zinc/39/75/71/925397571.db2.gz RDDXOYCLYXNXIZ-NXEZZACHSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cncn1)c1ncccn1 ZINC001406288882 925397896 /nfs/dbraw/zinc/39/78/96/925397896.db2.gz RQHRUJJBACJANW-QWRGUYRKSA-N 1 1 305.342 -1.104 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cnnn2)n1 ZINC001406294390 925399581 /nfs/dbraw/zinc/39/95/81/925399581.db2.gz USOLOQGSOLLYGY-LLVKDONJSA-N 1 1 320.357 -1.571 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001406295367 925399777 /nfs/dbraw/zinc/39/97/77/925399777.db2.gz UQQGQYSRGULIOT-DTWKUNHWSA-N 1 1 313.383 -1.227 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)c1cnn(C)c1 ZINC001406322767 925400896 /nfs/dbraw/zinc/40/08/96/925400896.db2.gz RUUNYVLNWVHQAN-GXFFZTMASA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001406299449 925402004 /nfs/dbraw/zinc/40/20/04/925402004.db2.gz ZQLOOVNSVCYQNS-NEPJUHHUSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCNS(C)(=O)=O ZINC001406359139 925405003 /nfs/dbraw/zinc/40/50/03/925405003.db2.gz HHDNDZNKDVXHIT-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001406366305 925405132 /nfs/dbraw/zinc/40/51/32/925405132.db2.gz VXCVMSDGFSYOMD-MRVPVSSYSA-N 1 1 310.362 -1.469 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001406372101 925406539 /nfs/dbraw/zinc/40/65/39/925406539.db2.gz BCOXIESKQYWVMH-NXEZZACHSA-N 1 1 324.389 -1.405 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001406375874 925407000 /nfs/dbraw/zinc/40/70/00/925407000.db2.gz CRZAGLTWEIONHJ-NEPJUHHUSA-N 1 1 324.385 -1.694 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CN2CCNC(=O)C2)nn1 ZINC001406375013 925407074 /nfs/dbraw/zinc/40/70/74/925407074.db2.gz DRVGXKZWMNYCIK-LLVKDONJSA-N 1 1 323.401 -1.676 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001406379189 925408289 /nfs/dbraw/zinc/40/82/89/925408289.db2.gz MEIAWXAROMGFMP-SECBINFHSA-N 1 1 310.358 -1.596 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001406388089 925409504 /nfs/dbraw/zinc/40/95/04/925409504.db2.gz WQMHSJVNZVGEJO-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CCS(C)(=O)=O ZINC001406383757 925410113 /nfs/dbraw/zinc/41/01/13/925410113.db2.gz PGDYFECYRJACNR-RKDXNWHRSA-N 1 1 318.403 -1.200 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001406391435 925411377 /nfs/dbraw/zinc/41/13/77/925411377.db2.gz WQTDYPHZUVZKIK-NXEZZACHSA-N 1 1 309.374 -1.036 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001406397221 925412668 /nfs/dbraw/zinc/41/26/68/925412668.db2.gz JYUKHVXQLGBGGI-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)NC)nn1 ZINC001406434096 925415121 /nfs/dbraw/zinc/41/51/21/925415121.db2.gz PAIHBSONHHAJBX-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001406470271 925416398 /nfs/dbraw/zinc/41/63/98/925416398.db2.gz QRBZMGRHLDKGSI-CBAPKCEASA-N 1 1 309.330 -1.289 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1CCF ZINC001406481216 925418342 /nfs/dbraw/zinc/41/83/42/925418342.db2.gz NPWBAACHSALVRH-VIFPVBQESA-N 1 1 315.353 -1.229 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001406481124 925418557 /nfs/dbraw/zinc/41/85/57/925418557.db2.gz BWEXIPAVNOUYEQ-QMMMGPOBSA-N 1 1 312.330 -2.084 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001406484387 925418640 /nfs/dbraw/zinc/41/86/40/925418640.db2.gz MFXZLKHFKQKFOS-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406554542 925422381 /nfs/dbraw/zinc/42/23/81/925422381.db2.gz AYGONGNLIQHGRC-UWVGGRQHSA-N 1 1 309.374 -1.044 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)Cc1nnc[nH]1 ZINC001406547764 925422408 /nfs/dbraw/zinc/42/24/08/925422408.db2.gz HQJIPKBWRCNEGC-JTQLQIEISA-N 1 1 324.385 -1.263 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2nc(C)n(C)c2=O)[nH]1 ZINC001406565503 925423080 /nfs/dbraw/zinc/42/30/80/925423080.db2.gz PXGWRJHGGVQWLU-QMMMGPOBSA-N 1 1 322.373 -1.389 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001406616424 925424404 /nfs/dbraw/zinc/42/44/04/925424404.db2.gz STUMFESILQYDJA-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001406616424 925424406 /nfs/dbraw/zinc/42/44/06/925424406.db2.gz STUMFESILQYDJA-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001406616431 925424557 /nfs/dbraw/zinc/42/45/57/925424557.db2.gz STUMFESILQYDJA-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001406616431 925424561 /nfs/dbraw/zinc/42/45/61/925424561.db2.gz STUMFESILQYDJA-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617899 925424631 /nfs/dbraw/zinc/42/46/31/925424631.db2.gz SBWCQNLBYKUQCF-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001406617899 925424635 /nfs/dbraw/zinc/42/46/35/925424635.db2.gz SBWCQNLBYKUQCF-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406595603 925425062 /nfs/dbraw/zinc/42/50/62/925425062.db2.gz DMVLEUBALWGUAG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406595603 925425066 /nfs/dbraw/zinc/42/50/66/925425066.db2.gz DMVLEUBALWGUAG-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641694 925425784 /nfs/dbraw/zinc/42/57/84/925425784.db2.gz NKTIVTSDCUTDKU-BDAKNGLRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641694 925425789 /nfs/dbraw/zinc/42/57/89/925425789.db2.gz NKTIVTSDCUTDKU-BDAKNGLRSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CN1CCNC(=O)C1 ZINC001406652784 925425955 /nfs/dbraw/zinc/42/59/55/925425955.db2.gz UPDINBLQMSFOKH-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CN1CCNC(=O)C1 ZINC001406652769 925426154 /nfs/dbraw/zinc/42/61/54/925426154.db2.gz UPDINBLQMSFOKH-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)Cn1ncn(C)c1=O ZINC001406631769 925426471 /nfs/dbraw/zinc/42/64/71/925426471.db2.gz AUHYFBXSTXDZKS-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)Cn1ncn(C)c1=O ZINC001406631769 925426474 /nfs/dbraw/zinc/42/64/74/925426474.db2.gz AUHYFBXSTXDZKS-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653098 925426815 /nfs/dbraw/zinc/42/68/15/925426815.db2.gz OFIKEGMQBZKWFA-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCCS(N)(=O)=O ZINC001406653098 925426823 /nfs/dbraw/zinc/42/68/23/925426823.db2.gz OFIKEGMQBZKWFA-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H](C)CC(N)=O ZINC001406646526 925426885 /nfs/dbraw/zinc/42/68/85/925426885.db2.gz LOJSGUYDDJBDAQ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406644239 925426911 /nfs/dbraw/zinc/42/69/11/925426911.db2.gz CCLQNTHZETWPHF-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406644239 925426920 /nfs/dbraw/zinc/42/69/20/925426920.db2.gz CCLQNTHZETWPHF-KOLCDFICSA-N 1 1 311.386 -1.275 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001406622813 925427261 /nfs/dbraw/zinc/42/72/61/925427261.db2.gz UGWPKZVWRIVTEZ-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001406622813 925427266 /nfs/dbraw/zinc/42/72/66/925427266.db2.gz UGWPKZVWRIVTEZ-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703061 925428142 /nfs/dbraw/zinc/42/81/42/925428142.db2.gz VPVKVDFDWLRQHX-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703061 925428145 /nfs/dbraw/zinc/42/81/45/925428145.db2.gz VPVKVDFDWLRQHX-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)CC(=O)NC(N)=O ZINC001406692618 925428695 /nfs/dbraw/zinc/42/86/95/925428695.db2.gz CKSHURARYTUKGS-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406671203 925428719 /nfs/dbraw/zinc/42/87/19/925428719.db2.gz TWRIIGFSKKUJOH-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406671203 925428723 /nfs/dbraw/zinc/42/87/23/925428723.db2.gz TWRIIGFSKKUJOH-WCBMZHEXSA-N 1 1 315.374 -1.468 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)c2nnn(C)n2)C2CC2)nn1 ZINC001406792429 925431751 /nfs/dbraw/zinc/43/17/51/925431751.db2.gz GRQZUMOBHLICQB-SNVBAGLBSA-N 1 1 305.346 -1.363 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406771962 925432116 /nfs/dbraw/zinc/43/21/16/925432116.db2.gz HFZJWBWMSMXZPI-CBAPKCEASA-N 1 1 310.362 -1.749 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001406768020 925432151 /nfs/dbraw/zinc/43/21/51/925432151.db2.gz BXPUSKOKBVSAAD-BDAKNGLRSA-N 1 1 308.346 -2.124 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001406857773 925438021 /nfs/dbraw/zinc/43/80/21/925438021.db2.gz PCAMVRBQZSEWJA-GHMZBOCLSA-N 1 1 324.385 -1.164 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406863144 925440238 /nfs/dbraw/zinc/44/02/38/925440238.db2.gz RMDFURSQAJHQQM-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406863144 925440243 /nfs/dbraw/zinc/44/02/43/925440243.db2.gz RMDFURSQAJHQQM-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](O)COC ZINC001406900301 925441905 /nfs/dbraw/zinc/44/19/05/925441905.db2.gz JTTURXDMYJUKOO-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1C[C@H](O)COC ZINC001406900301 925441907 /nfs/dbraw/zinc/44/19/07/925441907.db2.gz JTTURXDMYJUKOO-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO COc1cncc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CC2)n1 ZINC001406922429 925443465 /nfs/dbraw/zinc/44/34/65/925443465.db2.gz TZGUPJBBNGSJPI-UHFFFAOYSA-N 1 1 318.341 -1.090 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1([NH2+]Cc2ccn(C)n2)CC1 ZINC001406995674 925446615 /nfs/dbraw/zinc/44/66/15/925446615.db2.gz PYYSAXFBGGDAAV-UHFFFAOYSA-N 1 1 315.399 -1.292 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001407035270 925447929 /nfs/dbraw/zinc/44/79/29/925447929.db2.gz WEXSOSASKSQJBB-DGCLKSJQSA-N 1 1 319.427 -1.159 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCNC2=O)C1 ZINC001407059659 925449378 /nfs/dbraw/zinc/44/93/78/925449378.db2.gz MZRKDZBKOQJWMO-LBPRGKRZSA-N 1 1 314.386 -1.448 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1nncn1C ZINC001407090719 925451673 /nfs/dbraw/zinc/45/16/73/925451673.db2.gz GDCYOFSJVFSWIG-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407111215 925452963 /nfs/dbraw/zinc/45/29/63/925452963.db2.gz XCCOCUSGDRCVHG-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156513 925454489 /nfs/dbraw/zinc/45/44/89/925454489.db2.gz BKGJLUBNNHXPAB-IINYFYTJSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156513 925454493 /nfs/dbraw/zinc/45/44/93/925454493.db2.gz BKGJLUBNNHXPAB-IINYFYTJSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156522 925455178 /nfs/dbraw/zinc/45/51/78/925455178.db2.gz BKGJLUBNNHXPAB-YGRLFVJLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407156522 925455182 /nfs/dbraw/zinc/45/51/82/925455182.db2.gz BKGJLUBNNHXPAB-YGRLFVJLSA-N 1 1 324.385 -1.703 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001407119371 925455388 /nfs/dbraw/zinc/45/53/88/925455388.db2.gz XSIALTUQKDZDCN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)O)C1 ZINC001407173956 925456140 /nfs/dbraw/zinc/45/61/40/925456140.db2.gz YXDODPSLQFDXHW-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCCF)C1 ZINC001407172908 925456226 /nfs/dbraw/zinc/45/62/26/925456226.db2.gz MWTPTPNYBXCYRM-NSHDSACASA-N 1 1 310.395 -1.020 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407171685 925457709 /nfs/dbraw/zinc/45/77/09/925457709.db2.gz XJSCZBJZLYHLHT-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CC(=O)NC(N)=O)C2)C1 ZINC001407186546 925459204 /nfs/dbraw/zinc/45/92/04/925459204.db2.gz TUVGJPDTOQKBAA-YGRLFVJLSA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001407196457 925459468 /nfs/dbraw/zinc/45/94/68/925459468.db2.gz KOLGGSCLJGKKFM-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001407281819 925461183 /nfs/dbraw/zinc/46/11/83/925461183.db2.gz AAWANHBXPYHGHX-CQSZACIVSA-N 1 1 323.401 -1.020 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407326424 925461740 /nfs/dbraw/zinc/46/17/40/925461740.db2.gz ROXXARVNJVHAGN-CQSZACIVSA-N 1 1 323.353 -1.244 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407326424 925461747 /nfs/dbraw/zinc/46/17/47/925461747.db2.gz ROXXARVNJVHAGN-CQSZACIVSA-N 1 1 323.353 -1.244 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001407328746 925461826 /nfs/dbraw/zinc/46/18/26/925461826.db2.gz KVEUASLWSJABKD-CMPLNLGQSA-N 1 1 300.338 -1.026 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001407319715 925462487 /nfs/dbraw/zinc/46/24/87/925462487.db2.gz MGGQSLQGIJLSNE-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001407311106 925462604 /nfs/dbraw/zinc/46/26/04/925462604.db2.gz CPSNJIBAGSMJFB-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001407311106 925462609 /nfs/dbraw/zinc/46/26/09/925462609.db2.gz CPSNJIBAGSMJFB-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001407327323 925463275 /nfs/dbraw/zinc/46/32/75/925463275.db2.gz TVIQEDHJFRRSLJ-RISCZKNCSA-N 1 1 316.354 -1.565 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)o1 ZINC001407342424 925464484 /nfs/dbraw/zinc/46/44/84/925464484.db2.gz FCHQSQYDIHXPGG-HZMBPMFUSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)o1 ZINC001407342424 925464492 /nfs/dbraw/zinc/46/44/92/925464492.db2.gz FCHQSQYDIHXPGG-HZMBPMFUSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)o1 ZINC001407342435 925464744 /nfs/dbraw/zinc/46/47/44/925464744.db2.gz FCHQSQYDIHXPGG-IINYFYTJSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nnc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)o1 ZINC001407342435 925464749 /nfs/dbraw/zinc/46/47/49/925464749.db2.gz FCHQSQYDIHXPGG-IINYFYTJSA-N 1 1 323.353 -1.638 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407349134 925465447 /nfs/dbraw/zinc/46/54/47/925465447.db2.gz IGWQEWSTLVGYEX-ABAIWWIYSA-N 1 1 323.397 -1.018 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001407342242 925465733 /nfs/dbraw/zinc/46/57/33/925465733.db2.gz FMJNNXMAUSOYML-LBPRGKRZSA-N 1 1 303.334 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001407342242 925465741 /nfs/dbraw/zinc/46/57/41/925465741.db2.gz FMJNNXMAUSOYML-LBPRGKRZSA-N 1 1 303.334 -1.457 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407349138 925465757 /nfs/dbraw/zinc/46/57/57/925465757.db2.gz IGWQEWSTLVGYEX-NHYWBVRUSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001407345491 925465992 /nfs/dbraw/zinc/46/59/92/925465992.db2.gz HPCQAJTUMFCQQL-SMDDNHRTSA-N 1 1 315.370 -1.909 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001407345491 925465999 /nfs/dbraw/zinc/46/59/99/925465999.db2.gz HPCQAJTUMFCQQL-SMDDNHRTSA-N 1 1 315.370 -1.909 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001407347256 925466044 /nfs/dbraw/zinc/46/60/44/925466044.db2.gz KBHBTBACACYVHU-LBPRGKRZSA-N 1 1 306.384 -1.770 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001407347256 925466049 /nfs/dbraw/zinc/46/60/49/925466049.db2.gz KBHBTBACACYVHU-LBPRGKRZSA-N 1 1 306.384 -1.770 20 0 DAADMO Cc1ccn(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(=O)c1 ZINC001407343497 925466083 /nfs/dbraw/zinc/46/60/83/925466083.db2.gz AGAAETYQXQSJII-OAHLLOKOSA-N 1 1 322.365 -1.805 20 0 DAADMO Cc1ccn(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(=O)c1 ZINC001407343497 925466088 /nfs/dbraw/zinc/46/60/88/925466088.db2.gz AGAAETYQXQSJII-OAHLLOKOSA-N 1 1 322.365 -1.805 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407354486 925466588 /nfs/dbraw/zinc/46/65/88/925466588.db2.gz WEXBVARQYAGTOV-HNNXBMFYSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407354486 925466595 /nfs/dbraw/zinc/46/65/95/925466595.db2.gz WEXBVARQYAGTOV-HNNXBMFYSA-N 1 1 313.398 -1.067 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001407356376 925466625 /nfs/dbraw/zinc/46/66/25/925466625.db2.gz HUPOTJIKVSYXJR-QMTHXVAHSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001407356376 925466630 /nfs/dbraw/zinc/46/66/30/925466630.db2.gz HUPOTJIKVSYXJR-QMTHXVAHSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407356665 925466764 /nfs/dbraw/zinc/46/67/64/925466764.db2.gz UWLUKCUAQPKHJL-OAHLLOKOSA-N 1 1 321.381 -1.263 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407356665 925466769 /nfs/dbraw/zinc/46/67/69/925466769.db2.gz UWLUKCUAQPKHJL-OAHLLOKOSA-N 1 1 321.381 -1.263 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(C)nn1 ZINC001407351161 925467495 /nfs/dbraw/zinc/46/74/95/925467495.db2.gz CCRLQRMMQUFVKI-OAHLLOKOSA-N 1 1 321.381 -1.001 20 0 DAADMO CCc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(C)nn1 ZINC001407351161 925467501 /nfs/dbraw/zinc/46/75/01/925467501.db2.gz CCRLQRMMQUFVKI-OAHLLOKOSA-N 1 1 321.381 -1.001 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407356447 925467615 /nfs/dbraw/zinc/46/76/15/925467615.db2.gz FEYQXHNLYXECLW-CQSZACIVSA-N 1 1 324.385 -1.953 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001407356447 925467625 /nfs/dbraw/zinc/46/76/25/925467625.db2.gz FEYQXHNLYXECLW-CQSZACIVSA-N 1 1 324.385 -1.953 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001407355976 925467664 /nfs/dbraw/zinc/46/76/64/925467664.db2.gz UCSWQQAZNSHXQV-TZMCWYRMSA-N 1 1 301.387 -1.164 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001407352768 925467676 /nfs/dbraw/zinc/46/76/76/925467676.db2.gz PMDXXIOBFORRCG-XHDPSFHLSA-N 1 1 313.398 -1.021 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407349656 925467965 /nfs/dbraw/zinc/46/79/65/925467965.db2.gz NCFFQEINLINLNL-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407349656 925467969 /nfs/dbraw/zinc/46/79/69/925467969.db2.gz NCFFQEINLINLNL-CQSZACIVSA-N 1 1 324.385 -1.540 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001407357351 925468227 /nfs/dbraw/zinc/46/82/27/925468227.db2.gz QLLNHWUTPZDSDS-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)co1 ZINC001407354924 925468564 /nfs/dbraw/zinc/46/85/64/925468564.db2.gz WLCTUEVHBMYDHB-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)co1 ZINC001407354924 925468569 /nfs/dbraw/zinc/46/85/69/925468569.db2.gz WLCTUEVHBMYDHB-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001407360347 925469445 /nfs/dbraw/zinc/46/94/45/925469445.db2.gz COSMPCCXKSBXRB-AAEUAGOBSA-N 1 1 320.411 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001407360347 925469454 /nfs/dbraw/zinc/46/94/54/925469454.db2.gz COSMPCCXKSBXRB-AAEUAGOBSA-N 1 1 320.411 -1.380 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(=O)(=O)CC)C1 ZINC001407359264 925469628 /nfs/dbraw/zinc/46/96/28/925469628.db2.gz BPMIZTHUFRRKCT-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407359829 925469686 /nfs/dbraw/zinc/46/96/86/925469686.db2.gz XOLLBUGLXCHQLB-HNNXBMFYSA-N 1 1 323.397 -1.167 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407359829 925469689 /nfs/dbraw/zinc/46/96/89/925469689.db2.gz XOLLBUGLXCHQLB-HNNXBMFYSA-N 1 1 323.397 -1.167 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407361562 925469762 /nfs/dbraw/zinc/46/97/62/925469762.db2.gz YLELSYWPJLVGSU-CYBMUJFWSA-N 1 1 323.357 -2.542 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407361562 925469767 /nfs/dbraw/zinc/46/97/67/925469767.db2.gz YLELSYWPJLVGSU-CYBMUJFWSA-N 1 1 323.357 -2.542 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001407363088 925470309 /nfs/dbraw/zinc/47/03/09/925470309.db2.gz DGPKOQQXSHHPON-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001407360361 925470609 /nfs/dbraw/zinc/47/06/09/925470609.db2.gz COSMPCCXKSBXRB-DGCLKSJQSA-N 1 1 320.411 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001407360361 925470616 /nfs/dbraw/zinc/47/06/16/925470616.db2.gz COSMPCCXKSBXRB-DGCLKSJQSA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCNC(=O)CC1 ZINC001407363630 925470645 /nfs/dbraw/zinc/47/06/45/925470645.db2.gz NMMAAABPANUKHO-DOMZBBRYSA-N 1 1 313.398 -1.162 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001407363426 925470958 /nfs/dbraw/zinc/47/09/58/925470958.db2.gz MTZFLQDHHLJWFE-GXFFZTMASA-N 1 1 303.359 -2.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001407363426 925470964 /nfs/dbraw/zinc/47/09/64/925470964.db2.gz MTZFLQDHHLJWFE-GXFFZTMASA-N 1 1 303.359 -2.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364894 925471083 /nfs/dbraw/zinc/47/10/83/925471083.db2.gz BRBQIODQCFBDIO-PSLIRLAXSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364894 925471087 /nfs/dbraw/zinc/47/10/87/925471087.db2.gz BRBQIODQCFBDIO-PSLIRLAXSA-N 1 1 321.381 -1.061 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001407370520 925471787 /nfs/dbraw/zinc/47/17/87/925471787.db2.gz MGXMJRLLIPKWFY-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001407366004 925471877 /nfs/dbraw/zinc/47/18/77/925471877.db2.gz ISIKFLJOUFKXBT-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001407366004 925471884 /nfs/dbraw/zinc/47/18/84/925471884.db2.gz ISIKFLJOUFKXBT-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO C[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCC(=O)NC1 ZINC001407365783 925472262 /nfs/dbraw/zinc/47/22/62/925472262.db2.gz KZEBBDXIMNSSHT-LSDHHAIUSA-N 1 1 313.398 -1.162 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCC(=O)NC1 ZINC001407365770 925472287 /nfs/dbraw/zinc/47/22/87/925472287.db2.gz KZEBBDXIMNSSHT-GJZGRUSLSA-N 1 1 313.398 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407368737 925472379 /nfs/dbraw/zinc/47/23/79/925472379.db2.gz LIOBXNRGOYGUME-GXFFZTMASA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001407368737 925472385 /nfs/dbraw/zinc/47/23/85/925472385.db2.gz LIOBXNRGOYGUME-GXFFZTMASA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001407368737 925472393 /nfs/dbraw/zinc/47/23/93/925472393.db2.gz LIOBXNRGOYGUME-GXFFZTMASA-N 1 1 313.358 -2.093 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001407366693 925472512 /nfs/dbraw/zinc/47/25/12/925472512.db2.gz MJCFRJHOTLPXSZ-CYBMUJFWSA-N 1 1 320.357 -1.727 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC(F)F)C1 ZINC001407371490 925472815 /nfs/dbraw/zinc/47/28/15/925472815.db2.gz ODIZSULGBNRGJD-LBPRGKRZSA-N 1 1 322.312 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCC(F)F)C1 ZINC001407371490 925472817 /nfs/dbraw/zinc/47/28/17/925472817.db2.gz ODIZSULGBNRGJD-LBPRGKRZSA-N 1 1 322.312 -1.220 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407366942 925472877 /nfs/dbraw/zinc/47/28/77/925472877.db2.gz PEEDZXAGBAUUEB-BXUZGUMPSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407366942 925472882 /nfs/dbraw/zinc/47/28/82/925472882.db2.gz PEEDZXAGBAUUEB-BXUZGUMPSA-N 1 1 322.369 -1.846 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCC(=O)NC1 ZINC001407365763 925472901 /nfs/dbraw/zinc/47/29/01/925472901.db2.gz KZEBBDXIMNSSHT-CABCVRRESA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001407370073 925472969 /nfs/dbraw/zinc/47/29/69/925472969.db2.gz MRWDQLHVBAFIPT-AWEZNQCLSA-N 1 1 310.354 -1.821 20 0 DAADMO C[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCC(=O)NC1 ZINC001407365776 925473106 /nfs/dbraw/zinc/47/31/06/925473106.db2.gz KZEBBDXIMNSSHT-HUUCEWRRSA-N 1 1 313.398 -1.162 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001407379467 925473906 /nfs/dbraw/zinc/47/39/06/925473906.db2.gz JQMTZAUJERVPLE-CQSZACIVSA-N 1 1 314.386 -2.382 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001407378332 925474208 /nfs/dbraw/zinc/47/42/08/925474208.db2.gz SQMLHLYVPNIFMX-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001407375390 925474474 /nfs/dbraw/zinc/47/44/74/925474474.db2.gz RKNZXKNKAGWPJC-AWEZNQCLSA-N 1 1 310.354 -1.090 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001407379995 925474652 /nfs/dbraw/zinc/47/46/52/925474652.db2.gz SUHGJSLBIRVOBI-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001407376317 925474989 /nfs/dbraw/zinc/47/49/89/925474989.db2.gz KZQSJPOTYGUCDF-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407376317 925474995 /nfs/dbraw/zinc/47/49/95/925474995.db2.gz KZQSJPOTYGUCDF-CMPLNLGQSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407375976 925475024 /nfs/dbraw/zinc/47/50/24/925475024.db2.gz BUZXQAQFHYKKHJ-GXTWGEPZSA-N 1 1 311.386 -1.008 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001407375450 925475272 /nfs/dbraw/zinc/47/52/72/925475272.db2.gz ASOTVIHVUOEAMI-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001407375450 925475276 /nfs/dbraw/zinc/47/52/76/925475276.db2.gz ASOTVIHVUOEAMI-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001407378330 925475297 /nfs/dbraw/zinc/47/52/97/925475297.db2.gz SQMLHLYVPNIFMX-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001407379463 925475338 /nfs/dbraw/zinc/47/53/38/925475338.db2.gz JQMTZAUJERVPLE-AWEZNQCLSA-N 1 1 314.386 -2.382 20 0 DAADMO C[C@@]1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377588 925475382 /nfs/dbraw/zinc/47/53/82/925475382.db2.gz YINDJVCIVSMYPD-ZIAGYGMSSA-N 1 1 312.370 -2.059 20 0 DAADMO C[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377588 925475386 /nfs/dbraw/zinc/47/53/86/925475386.db2.gz YINDJVCIVSMYPD-ZIAGYGMSSA-N 1 1 312.370 -2.059 20 0 DAADMO CC(C)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001407384159 925476138 /nfs/dbraw/zinc/47/61/38/925476138.db2.gz OSUQQCJJEGNMJT-HNNXBMFYSA-N 1 1 312.414 -1.373 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001407382022 925476227 /nfs/dbraw/zinc/47/62/27/925476227.db2.gz MKFIPGSXTTUTIB-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001407382022 925476233 /nfs/dbraw/zinc/47/62/33/925476233.db2.gz MKFIPGSXTTUTIB-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382370 925476315 /nfs/dbraw/zinc/47/63/15/925476315.db2.gz GYOUACALUSUEPP-IUODEOHRSA-N 1 1 322.413 -1.180 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001407383187 925476698 /nfs/dbraw/zinc/47/66/98/925476698.db2.gz HFCCWQVWNRCULQ-CQSZACIVSA-N 1 1 323.353 -1.612 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407393981 925477929 /nfs/dbraw/zinc/47/79/29/925477929.db2.gz WBEZWHBVWXPFKA-HNNXBMFYSA-N 1 1 323.397 -1.105 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407393981 925477933 /nfs/dbraw/zinc/47/79/33/925477933.db2.gz WBEZWHBVWXPFKA-HNNXBMFYSA-N 1 1 323.397 -1.105 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001407393984 925477958 /nfs/dbraw/zinc/47/79/58/925477958.db2.gz WBEZWHBVWXPFKA-OAHLLOKOSA-N 1 1 323.397 -1.105 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001407393984 925477964 /nfs/dbraw/zinc/47/79/64/925477964.db2.gz WBEZWHBVWXPFKA-OAHLLOKOSA-N 1 1 323.397 -1.105 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001407393157 925478348 /nfs/dbraw/zinc/47/83/48/925478348.db2.gz ZPXWDDQVJFKSDG-BXUZGUMPSA-N 1 1 312.370 -1.406 20 0 DAADMO CCOc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)[nH]n1 ZINC001407388027 925478601 /nfs/dbraw/zinc/47/86/01/925478601.db2.gz JHJLWOPCTBZIBN-ZDUSSCGKSA-N 1 1 311.342 -1.540 20 0 DAADMO CCOc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)[nH]n1 ZINC001407388027 925478607 /nfs/dbraw/zinc/47/86/07/925478607.db2.gz JHJLWOPCTBZIBN-ZDUSSCGKSA-N 1 1 311.342 -1.540 20 0 DAADMO Cn1[nH]c(CN2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001407401873 925481730 /nfs/dbraw/zinc/48/17/30/925481730.db2.gz YYZMSINUIUQHSE-SNVBAGLBSA-N 1 1 324.385 -2.135 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001407405703 925483679 /nfs/dbraw/zinc/48/36/79/925483679.db2.gz VNLVYMHVXNYQGN-UHFFFAOYSA-N 1 1 319.427 -1.111 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001407465767 925496108 /nfs/dbraw/zinc/49/61/08/925496108.db2.gz DJHGWHJFRSOGIE-ZDUSSCGKSA-N 1 1 322.413 -1.075 20 0 DAADMO C[NH+](C)[C@H](C(=O)NCC1(O)CN(CC(N)=O)C1)c1ccccc1 ZINC001407477112 925497827 /nfs/dbraw/zinc/49/78/27/925497827.db2.gz OMERVMPTJGATLZ-AWEZNQCLSA-N 1 1 320.393 -1.063 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCCOC3)C2)n1 ZINC001407501367 925502914 /nfs/dbraw/zinc/50/29/14/925502914.db2.gz UDOPOSJRPLAWLH-JTQLQIEISA-N 1 1 310.358 -1.587 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001407501456 925503040 /nfs/dbraw/zinc/50/30/40/925503040.db2.gz YCECNVRFIHMXSC-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001407503805 925503178 /nfs/dbraw/zinc/50/31/78/925503178.db2.gz ZDAKVLGKEFPGEZ-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001407543010 925504085 /nfs/dbraw/zinc/50/40/85/925504085.db2.gz DQZBMAVEUZZONW-XQQFMLRXSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001407555224 925505259 /nfs/dbraw/zinc/50/52/59/925505259.db2.gz PKZDUUAIKLRPCQ-XQQFMLRXSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1)NC(N)=O ZINC001407562278 925505457 /nfs/dbraw/zinc/50/54/57/925505457.db2.gz QOSXPMYBNHUSOK-YTWAJWBKSA-N 1 1 311.386 -1.303 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001407560014 925505572 /nfs/dbraw/zinc/50/55/72/925505572.db2.gz PBVNAZXKVSTVRF-GARJFASQSA-N 1 1 311.386 -1.431 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001407553828 925505621 /nfs/dbraw/zinc/50/56/21/925505621.db2.gz IXOZPTXQWHSXMY-AOOOYVTPSA-N 1 1 318.399 -2.199 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001407555192 925505756 /nfs/dbraw/zinc/50/57/56/925505756.db2.gz PKZDUUAIKLRPCQ-FRRDWIJNSA-N 1 1 320.393 -1.209 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)OC)C[C@@H]2C1 ZINC001407569497 925506278 /nfs/dbraw/zinc/50/62/78/925506278.db2.gz KUHDQBBQCNWIJD-SDDRHHMPSA-N 1 1 319.427 -1.039 20 0 DAADMO Cc1n[nH]cc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001407556106 925506376 /nfs/dbraw/zinc/50/63/76/925506376.db2.gz DRXITRYOVLMXGA-AOOOYVTPSA-N 1 1 320.353 -1.083 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@@H]2C1 ZINC001407569502 925506485 /nfs/dbraw/zinc/50/64/85/925506485.db2.gz KUHDQBBQCNWIJD-UTUOFQBUSA-N 1 1 319.427 -1.039 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001407556541 925506558 /nfs/dbraw/zinc/50/65/58/925506558.db2.gz QULBHGUAUYXNQW-NXEZZACHSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001407563990 925506749 /nfs/dbraw/zinc/50/67/49/925506749.db2.gz PEZWYBBGTCEWFY-SDDRHHMPSA-N 1 1 310.398 -1.024 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001407545120 925506847 /nfs/dbraw/zinc/50/68/47/925506847.db2.gz FCZSPSNLMVCSES-XQQFMLRXSA-N 1 1 311.382 -1.072 20 0 DAADMO Cc1nnc(CC(=O)N[C@@]2(CO)CCC[N@H+](C[C@H](C)O)C2)[nH]1 ZINC001407596182 925507321 /nfs/dbraw/zinc/50/73/21/925507321.db2.gz CNPGTYBSIGKURB-HZMBPMFUSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@@H+](C[C@H](C)O)C2)n[nH]1 ZINC001407596182 925507330 /nfs/dbraw/zinc/50/73/30/925507330.db2.gz CNPGTYBSIGKURB-HZMBPMFUSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@H+](C[C@H](C)O)C2)n[nH]1 ZINC001407596182 925507340 /nfs/dbraw/zinc/50/73/40/925507340.db2.gz CNPGTYBSIGKURB-HZMBPMFUSA-N 1 1 311.386 -1.020 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C1 ZINC001407595440 925507935 /nfs/dbraw/zinc/50/79/35/925507935.db2.gz RAEUBYJZKVNBFG-TXEJJXNPSA-N 1 1 319.427 -1.086 20 0 DAADMO CC[C@@H]([NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1)C(N)=O ZINC001407585428 925508697 /nfs/dbraw/zinc/50/86/97/925508697.db2.gz BKHXTXYKYGZWNN-LLVKDONJSA-N 1 1 323.401 -1.148 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2ccnn2)C1 ZINC001407615830 925509227 /nfs/dbraw/zinc/50/92/27/925509227.db2.gz PYXZSELFWHZJKT-OCCSQVGLSA-N 1 1 311.386 -1.008 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1COC(=O)N1 ZINC001407605743 925509300 /nfs/dbraw/zinc/50/93/00/925509300.db2.gz HSTWHGLJKXUUKK-GXFFZTMASA-N 1 1 301.343 -1.580 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2ccnn2)C1 ZINC001407615802 925509404 /nfs/dbraw/zinc/50/94/04/925509404.db2.gz PYXZSELFWHZJKT-JSGCOSHPSA-N 1 1 311.386 -1.008 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001407608204 925509690 /nfs/dbraw/zinc/50/96/90/925509690.db2.gz QRDDEFIJILVBNX-AWEZNQCLSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629716 925511224 /nfs/dbraw/zinc/51/12/24/925511224.db2.gz AEVKYSLNMJFPHW-VHSXEESVSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629716 925511232 /nfs/dbraw/zinc/51/12/32/925511232.db2.gz AEVKYSLNMJFPHW-VHSXEESVSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629721 925511459 /nfs/dbraw/zinc/51/14/59/925511459.db2.gz AEVKYSLNMJFPHW-ZJUUUORDSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629721 925511465 /nfs/dbraw/zinc/51/14/65/925511465.db2.gz AEVKYSLNMJFPHW-ZJUUUORDSA-N 1 1 321.341 -1.322 20 0 DAADMO COc1c(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)cnn1C ZINC001407620667 925511740 /nfs/dbraw/zinc/51/17/40/925511740.db2.gz IKRDFSADJXRLPD-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO COc1c(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)cnn1C ZINC001407620640 925512389 /nfs/dbraw/zinc/51/23/89/925512389.db2.gz IKRDFSADJXRLPD-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@]1(CO)CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407624050 925512522 /nfs/dbraw/zinc/51/25/22/925512522.db2.gz FPNSRGKQRXZLGS-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@]1(CO)CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407624050 925512527 /nfs/dbraw/zinc/51/25/27/925512527.db2.gz FPNSRGKQRXZLGS-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001407630956 925512610 /nfs/dbraw/zinc/51/26/10/925512610.db2.gz INSFWZRUOXZEFA-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cnn(C)n1)c1nncn1C ZINC001407653136 925513633 /nfs/dbraw/zinc/51/36/33/925513633.db2.gz GKZYRPLSPWJMMI-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1cnc2n1CCOC2 ZINC001407645931 925514597 /nfs/dbraw/zinc/51/45/97/925514597.db2.gz NNTZOJCGBHMUCS-HNNXBMFYSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001407647628 925515203 /nfs/dbraw/zinc/51/52/03/925515203.db2.gz XUGWFNVNEKJOMG-MFKMUULPSA-N 1 1 302.375 -1.631 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407648690 925515242 /nfs/dbraw/zinc/51/52/42/925515242.db2.gz HVLIPTLWARMRRT-JSGCOSHPSA-N 1 1 304.387 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001407661117 925516380 /nfs/dbraw/zinc/51/63/80/925516380.db2.gz VQUJHUIXPIJELI-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407667675 925516985 /nfs/dbraw/zinc/51/69/85/925516985.db2.gz KFUAZIHTVYCJFB-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCOC)C1 ZINC001407662340 925517552 /nfs/dbraw/zinc/51/75/52/925517552.db2.gz YQOUMFQEVBGCJE-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)Cn2cncn2)[nH]1 ZINC001407688711 925518574 /nfs/dbraw/zinc/51/85/74/925518574.db2.gz ZLARQRNTMCSUFC-JTQLQIEISA-N 1 1 322.373 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683081 925519379 /nfs/dbraw/zinc/51/93/79/925519379.db2.gz UZTCTFNLEKNNHE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407683081 925519387 /nfs/dbraw/zinc/51/93/87/925519387.db2.gz UZTCTFNLEKNNHE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001407745849 925521970 /nfs/dbraw/zinc/52/19/70/925521970.db2.gz XGFLFJOQKSMAJV-VXGBXAGGSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001407745849 925521972 /nfs/dbraw/zinc/52/19/72/925521972.db2.gz XGFLFJOQKSMAJV-VXGBXAGGSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407748262 925523214 /nfs/dbraw/zinc/52/32/14/925523214.db2.gz MDGSAKBUQHIGFF-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001407760598 925523948 /nfs/dbraw/zinc/52/39/48/925523948.db2.gz FAQDAVZBCPJANI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001407793190 925526509 /nfs/dbraw/zinc/52/65/09/925526509.db2.gz QVAUZMGSXYQVFW-UWVGGRQHSA-N 1 1 321.385 -1.150 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001407837456 925527630 /nfs/dbraw/zinc/52/76/30/925527630.db2.gz OERDHSBZOTVIMK-XYPYZODXSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001407821611 925528621 /nfs/dbraw/zinc/52/86/21/925528621.db2.gz CDFGEEMGESLOBO-LBPRGKRZSA-N 1 1 307.354 -1.070 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+][C@H](C)c2nncn2C)C1 ZINC001407819532 925528738 /nfs/dbraw/zinc/52/87/38/925528738.db2.gz AVDGHMGOHOKPAK-PWSUYJOCSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001407838236 925528905 /nfs/dbraw/zinc/52/89/05/925528905.db2.gz LEUJPODTGJGUHT-NXEZZACHSA-N 1 1 310.358 -1.572 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001407843595 925530569 /nfs/dbraw/zinc/53/05/69/925530569.db2.gz YXSNOLOTXPOCSE-ZDUSSCGKSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCNC(N)=O)O2 ZINC001407960806 925536246 /nfs/dbraw/zinc/53/62/46/925536246.db2.gz BIESHHILQKPYLR-GHMZBOCLSA-N 1 1 314.386 -1.225 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCC[N@@H+](C)CC(=O)N(C)C ZINC001407912699 925536292 /nfs/dbraw/zinc/53/62/92/925536292.db2.gz QEIQZOTYNLWJBN-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001407918707 925536562 /nfs/dbraw/zinc/53/65/62/925536562.db2.gz OOTHVQDJVKHAID-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001407983013 925538362 /nfs/dbraw/zinc/53/83/62/925538362.db2.gz DSBIEWNTODILPZ-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001408004111 925540089 /nfs/dbraw/zinc/54/00/89/925540089.db2.gz JWLDFKWSJLXELZ-IWIIMEHWSA-N 1 1 311.386 -1.432 20 0 DAADMO NC(=O)CN[C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001408031038 925541982 /nfs/dbraw/zinc/54/19/82/925541982.db2.gz VAXFCGDDHNRTJS-HNNXBMFYSA-N 1 1 310.398 -1.489 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)CNC(C)=O)C1 ZINC001408065679 925543825 /nfs/dbraw/zinc/54/38/25/925543825.db2.gz URDFDSPSODDLLT-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)CNC(C)=O)C1 ZINC001408065679 925543834 /nfs/dbraw/zinc/54/38/34/925543834.db2.gz URDFDSPSODDLLT-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001408092975 925546814 /nfs/dbraw/zinc/54/68/14/925546814.db2.gz CVHFIUNGHKGRSR-IUCAKERBSA-N 1 1 310.362 -1.795 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001408100716 925547522 /nfs/dbraw/zinc/54/75/22/925547522.db2.gz NXCSEXZCUPATOB-WCBMZHEXSA-N 1 1 317.371 -1.445 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CN1CN=NC1=O ZINC001408134198 925550112 /nfs/dbraw/zinc/55/01/12/925550112.db2.gz ZNOGIQLNTWTFKB-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001408151623 925551239 /nfs/dbraw/zinc/55/12/39/925551239.db2.gz DCEPYWYATBFTEF-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001408163303 925552888 /nfs/dbraw/zinc/55/28/88/925552888.db2.gz AFJZTQMHXCIWJD-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001408163303 925552897 /nfs/dbraw/zinc/55/28/97/925552897.db2.gz AFJZTQMHXCIWJD-ZJUUUORDSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001408163273 925553609 /nfs/dbraw/zinc/55/36/09/925553609.db2.gz AFJZTQMHXCIWJD-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001408163273 925553615 /nfs/dbraw/zinc/55/36/15/925553615.db2.gz AFJZTQMHXCIWJD-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001408155526 925553689 /nfs/dbraw/zinc/55/36/89/925553689.db2.gz GUOVFIOKPJAKNR-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001408155526 925553698 /nfs/dbraw/zinc/55/36/98/925553698.db2.gz GUOVFIOKPJAKNR-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001408163701 925553811 /nfs/dbraw/zinc/55/38/11/925553811.db2.gz AWOYJKUJPDBYEI-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408193430 925555512 /nfs/dbraw/zinc/55/55/12/925555512.db2.gz FACPEQXMDPMNAF-VHSXEESVSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408193430 925555522 /nfs/dbraw/zinc/55/55/22/925555522.db2.gz FACPEQXMDPMNAF-VHSXEESVSA-N 1 1 315.374 -2.133 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233866 925557773 /nfs/dbraw/zinc/55/77/73/925557773.db2.gz JFPYTWRKIPTRMM-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233866 925557776 /nfs/dbraw/zinc/55/77/76/925557776.db2.gz JFPYTWRKIPTRMM-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H](COC)OC)CC1 ZINC001408275475 925561665 /nfs/dbraw/zinc/56/16/65/925561665.db2.gz HZSSTQMRAPQHTA-LLVKDONJSA-N 1 1 317.386 -1.663 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001408299728 925562982 /nfs/dbraw/zinc/56/29/82/925562982.db2.gz GPHGRWMNYHOPGU-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001408299728 925562990 /nfs/dbraw/zinc/56/29/90/925562990.db2.gz GPHGRWMNYHOPGU-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001408299723 925563368 /nfs/dbraw/zinc/56/33/68/925563368.db2.gz GPHGRWMNYHOPGU-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001408299723 925563373 /nfs/dbraw/zinc/56/33/73/925563373.db2.gz GPHGRWMNYHOPGU-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344836 925565136 /nfs/dbraw/zinc/56/51/36/925565136.db2.gz QTXVCZYRVWRRCL-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344836 925565145 /nfs/dbraw/zinc/56/51/45/925565145.db2.gz QTXVCZYRVWRRCL-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001408321595 925565263 /nfs/dbraw/zinc/56/52/63/925565263.db2.gz CRLPARQOUCLGPP-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CN=NC1=O ZINC001408331343 925565403 /nfs/dbraw/zinc/56/54/03/925565403.db2.gz KTVZSUIIMYCESF-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001408344894 925567093 /nfs/dbraw/zinc/56/70/93/925567093.db2.gz RESUYUZVTYIFDY-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001408465435 925569701 /nfs/dbraw/zinc/56/97/01/925569701.db2.gz QLSHOCWPDCAVRG-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001408519820 925572410 /nfs/dbraw/zinc/57/24/10/925572410.db2.gz LJCDEAMTAAEDGE-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cn1cnnn1 ZINC001408542453 925575322 /nfs/dbraw/zinc/57/53/22/925575322.db2.gz QZVVVWALQDMESO-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cn1cnnn1 ZINC001408542453 925575326 /nfs/dbraw/zinc/57/53/26/925575326.db2.gz QZVVVWALQDMESO-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO Cc1nonc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408542502 925575983 /nfs/dbraw/zinc/57/59/83/925575983.db2.gz SRLXZMIKZJDMLR-JTQLQIEISA-N 1 1 311.342 -1.103 20 0 DAADMO Cc1nonc1C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408542502 925575991 /nfs/dbraw/zinc/57/59/91/925575991.db2.gz SRLXZMIKZJDMLR-JTQLQIEISA-N 1 1 311.342 -1.103 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001408542691 925576297 /nfs/dbraw/zinc/57/62/97/925576297.db2.gz YUEYZNHLQLTKGX-VWYCJHECSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001408542691 925576303 /nfs/dbraw/zinc/57/63/03/925576303.db2.gz YUEYZNHLQLTKGX-VWYCJHECSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1COCCO1 ZINC001408542274 925576354 /nfs/dbraw/zinc/57/63/54/925576354.db2.gz KTEWNSTXUHGABT-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1COCCO1 ZINC001408542274 925576363 /nfs/dbraw/zinc/57/63/63/925576363.db2.gz KTEWNSTXUHGABT-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001408542546 925576459 /nfs/dbraw/zinc/57/64/59/925576459.db2.gz UQHCSTGGPYXNBX-QNWHQSFQSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001408542546 925576466 /nfs/dbraw/zinc/57/64/66/925576466.db2.gz UQHCSTGGPYXNBX-QNWHQSFQSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)c1cn(C)nn1)C(=O)CC[NH+]1CCOCC1 ZINC001408561750 925576964 /nfs/dbraw/zinc/57/69/64/925576964.db2.gz WZXYPTVOMYEJDZ-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CN(CCNC(=O)c1ncn(C)n1)C(=O)CC[NH+]1CCOCC1 ZINC001408561740 925577030 /nfs/dbraw/zinc/57/70/30/925577030.db2.gz WMJUUAJWFHKZPR-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cn(C)nn2)C1 ZINC001408561423 925577870 /nfs/dbraw/zinc/57/78/70/925577870.db2.gz KIMWUDQIQOAKDO-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cn(C)nn2)C1 ZINC001408561423 925577875 /nfs/dbraw/zinc/57/78/75/925577875.db2.gz KIMWUDQIQOAKDO-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001408574412 925578274 /nfs/dbraw/zinc/57/82/74/925578274.db2.gz NNZNNNZDHXVRLH-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001408574415 925579447 /nfs/dbraw/zinc/57/94/47/925579447.db2.gz NNZNNNZDHXVRLH-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408589314 925580010 /nfs/dbraw/zinc/58/00/10/925580010.db2.gz JSQXANBMGREKBN-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408589314 925580017 /nfs/dbraw/zinc/58/00/17/925580017.db2.gz JSQXANBMGREKBN-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408589315 925580887 /nfs/dbraw/zinc/58/08/87/925580887.db2.gz JSQXANBMGREKBN-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408589315 925580894 /nfs/dbraw/zinc/58/08/94/925580894.db2.gz JSQXANBMGREKBN-ZOWXZIJZSA-N 1 1 311.382 -1.072 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)Cn2ncnn2)CC[N@H+]1C ZINC001408661758 925586439 /nfs/dbraw/zinc/58/64/39/925586439.db2.gz HXBBFCGEFSPWBT-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408655843 925586735 /nfs/dbraw/zinc/58/67/35/925586735.db2.gz NEQUDSULTCDRLT-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408693978 925591310 /nfs/dbraw/zinc/59/13/10/925591310.db2.gz VDIUNDFOFZOEMZ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001408727798 925591745 /nfs/dbraw/zinc/59/17/45/925591745.db2.gz GVFGLRRMBRBZDH-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001408727798 925591751 /nfs/dbraw/zinc/59/17/51/925591751.db2.gz GVFGLRRMBRBZDH-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408721420 925592521 /nfs/dbraw/zinc/59/25/21/925592521.db2.gz MCSURKRCTQDMKL-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408747069 925594465 /nfs/dbraw/zinc/59/44/65/925594465.db2.gz BQPRAXVSSWWHBI-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)Cn1cnnn1 ZINC001408746036 925594627 /nfs/dbraw/zinc/59/46/27/925594627.db2.gz PYBAQMDGIQGCQQ-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(C(=O)Cn2ncnn2)C2CC2)C1 ZINC001408916443 925599607 /nfs/dbraw/zinc/59/96/07/925599607.db2.gz ADAYRLFOORBIMQ-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001409049439 925607803 /nfs/dbraw/zinc/60/78/03/925607803.db2.gz JZASKYOFUFRMKD-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001409049439 925607808 /nfs/dbraw/zinc/60/78/08/925607808.db2.gz JZASKYOFUFRMKD-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCCC(N)=O)C2)C1 ZINC001409072222 925611130 /nfs/dbraw/zinc/61/11/30/925611130.db2.gz VJSNSTDTDCJXMR-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCCC(N)=O)C2)C1 ZINC001409072222 925611136 /nfs/dbraw/zinc/61/11/36/925611136.db2.gz VJSNSTDTDCJXMR-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409082392 925612316 /nfs/dbraw/zinc/61/23/16/925612316.db2.gz WIWMSLFCMZABDI-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001409130160 925619075 /nfs/dbraw/zinc/61/90/75/925619075.db2.gz CUIXKJBDYQDRGA-LLVKDONJSA-N 1 1 323.397 -1.144 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001409137029 925619523 /nfs/dbraw/zinc/61/95/23/925619523.db2.gz IHUMRYYQVKNTFV-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409286889 925627258 /nfs/dbraw/zinc/62/72/58/925627258.db2.gz IPDDWTTVNPJBKI-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001409272101 925627359 /nfs/dbraw/zinc/62/73/59/925627359.db2.gz FUSPUOOEENXWFK-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001409272101 925627366 /nfs/dbraw/zinc/62/73/66/925627366.db2.gz FUSPUOOEENXWFK-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001409267525 925628234 /nfs/dbraw/zinc/62/82/34/925628234.db2.gz HRWITWDBKUFVPJ-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001409267525 925628241 /nfs/dbraw/zinc/62/82/41/925628241.db2.gz HRWITWDBKUFVPJ-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409315526 925629720 /nfs/dbraw/zinc/62/97/20/925629720.db2.gz NPSMLTIZNFBALU-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001409370557 925630702 /nfs/dbraw/zinc/63/07/02/925630702.db2.gz MTWYOVCQEDWUOD-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001409358895 925631242 /nfs/dbraw/zinc/63/12/42/925631242.db2.gz HHHCBAPTBIXHEJ-UWVGGRQHSA-N 1 1 311.342 -1.089 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)[NH2+]Cc1cnon1 ZINC001409377134 925633385 /nfs/dbraw/zinc/63/33/85/925633385.db2.gz RJQPBSVJSHJYSX-RKDXNWHRSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001409377100 925634204 /nfs/dbraw/zinc/63/42/04/925634204.db2.gz RJQPBSVJSHJYSX-DTWKUNHWSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001409563168 925634959 /nfs/dbraw/zinc/63/49/59/925634959.db2.gz FKRSSDULQWPQAL-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC001409523384 925635218 /nfs/dbraw/zinc/63/52/18/925635218.db2.gz ZICNJARFRGCSNH-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001409523384 925635226 /nfs/dbraw/zinc/63/52/26/925635226.db2.gz ZICNJARFRGCSNH-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n1C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409480493 925635336 /nfs/dbraw/zinc/63/53/36/925635336.db2.gz XETWJGAUQUJSJA-IUCAKERBSA-N 1 1 322.373 -1.456 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001409553706 925635346 /nfs/dbraw/zinc/63/53/46/925635346.db2.gz IJDOSAKOKPCKCG-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC001409523390 925635379 /nfs/dbraw/zinc/63/53/79/925635379.db2.gz ZICNJARFRGCSNH-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001409523390 925635382 /nfs/dbraw/zinc/63/53/82/925635382.db2.gz ZICNJARFRGCSNH-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409503453 925635656 /nfs/dbraw/zinc/63/56/56/925635656.db2.gz IMGBJHOJMAQZDP-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409503453 925635659 /nfs/dbraw/zinc/63/56/59/925635659.db2.gz IMGBJHOJMAQZDP-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC ZINC001409559667 925636316 /nfs/dbraw/zinc/63/63/16/925636316.db2.gz YTBBPFRREACOMZ-ZJUUUORDSA-N 1 1 301.391 -1.124 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC ZINC001409559667 925636321 /nfs/dbraw/zinc/63/63/21/925636321.db2.gz YTBBPFRREACOMZ-ZJUUUORDSA-N 1 1 301.391 -1.124 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001409553704 925636426 /nfs/dbraw/zinc/63/64/26/925636426.db2.gz IJDOSAKOKPCKCG-JQWIXIFHSA-N 1 1 324.385 -1.137 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409586338 925638174 /nfs/dbraw/zinc/63/81/74/925638174.db2.gz AVEDFHUUQMWMER-RKDXNWHRSA-N 1 1 321.403 -2.635 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnc1)[N@H+](C)CC(=O)NC(N)=O ZINC001409603780 925638427 /nfs/dbraw/zinc/63/84/27/925638427.db2.gz YHFZFBNTHKEUPM-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnc1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409603780 925638432 /nfs/dbraw/zinc/63/84/32/925638432.db2.gz YHFZFBNTHKEUPM-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001409605390 925638497 /nfs/dbraw/zinc/63/84/97/925638497.db2.gz VELLCTHSYPKLGH-MNOVXSKESA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409633811 925639226 /nfs/dbraw/zinc/63/92/26/925639226.db2.gz IMGBJHOJMAQZDP-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409633811 925639235 /nfs/dbraw/zinc/63/92/35/925639235.db2.gz IMGBJHOJMAQZDP-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@H+](C)CC(=O)NC(N)=O ZINC001409611662 925639380 /nfs/dbraw/zinc/63/93/80/925639380.db2.gz JMEMHPKNSPFPOU-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001409611662 925639384 /nfs/dbraw/zinc/63/93/84/925639384.db2.gz JMEMHPKNSPFPOU-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccncn1 ZINC001409634264 925640321 /nfs/dbraw/zinc/64/03/21/925640321.db2.gz ZTOIWCVSMNNCHS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccncn1 ZINC001409634264 925640328 /nfs/dbraw/zinc/64/03/28/925640328.db2.gz ZTOIWCVSMNNCHS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409616403 925640559 /nfs/dbraw/zinc/64/05/59/925640559.db2.gz DBBBYJHFAALNJJ-RKDXNWHRSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409616403 925640561 /nfs/dbraw/zinc/64/05/61/925640561.db2.gz DBBBYJHFAALNJJ-RKDXNWHRSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@H+](C)CC(=O)NC(N)=O ZINC001409611663 925640712 /nfs/dbraw/zinc/64/07/12/925640712.db2.gz JMEMHPKNSPFPOU-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001409611663 925640715 /nfs/dbraw/zinc/64/07/15/925640715.db2.gz JMEMHPKNSPFPOU-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001409627437 925640890 /nfs/dbraw/zinc/64/08/90/925640890.db2.gz NQIGXSOBNCECCF-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001409627437 925640884 /nfs/dbraw/zinc/64/08/84/925640884.db2.gz NQIGXSOBNCECCF-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409653698 925641773 /nfs/dbraw/zinc/64/17/73/925641773.db2.gz NIRGWPODBTYWJM-QWRGUYRKSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409653692 925642178 /nfs/dbraw/zinc/64/21/78/925642178.db2.gz NIRGWPODBTYWJM-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001409655111 925642652 /nfs/dbraw/zinc/64/26/52/925642652.db2.gz NSWKDRBLCCUTFF-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001409655111 925642655 /nfs/dbraw/zinc/64/26/55/925642655.db2.gz NSWKDRBLCCUTFF-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)Cc1cncn1C ZINC001409699484 925646399 /nfs/dbraw/zinc/64/63/99/925646399.db2.gz MAFQWFLGRDYFKK-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cncn1C ZINC001409699484 925646407 /nfs/dbraw/zinc/64/64/07/925646407.db2.gz MAFQWFLGRDYFKK-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001409719299 925647245 /nfs/dbraw/zinc/64/72/45/925647245.db2.gz JVQSGWMJWSUANK-LLVKDONJSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409718753 925648235 /nfs/dbraw/zinc/64/82/35/925648235.db2.gz JRMCCWCUUNODGO-VHSXEESVSA-N 1 1 309.374 -1.356 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001409746278 925650731 /nfs/dbraw/zinc/65/07/31/925650731.db2.gz DITBGIPCZXJKNG-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001409750504 925651295 /nfs/dbraw/zinc/65/12/95/925651295.db2.gz UQDFFRRPABUGKZ-JTQLQIEISA-N 1 1 312.370 -1.207 20 0 DAADMO COCC(=O)N[C@H](C)C1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001409838146 925652837 /nfs/dbraw/zinc/65/28/37/925652837.db2.gz KCMCTEBQZIKRJS-SNVBAGLBSA-N 1 1 324.381 -1.333 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC(C)C)C1 ZINC001409910100 925654516 /nfs/dbraw/zinc/65/45/16/925654516.db2.gz JAAVNOXTQQELHN-SNVBAGLBSA-N 1 1 313.402 -1.124 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001409898103 925654592 /nfs/dbraw/zinc/65/45/92/925654592.db2.gz KKHYSXPTQZGRSO-DTWKUNHWSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](NC(=O)CN1CCCC1=O)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001409868243 925655202 /nfs/dbraw/zinc/65/52/02/925655202.db2.gz SJVBYNCYJUTHCZ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](NC(=O)CN1CCCC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409868254 925655625 /nfs/dbraw/zinc/65/56/25/925655625.db2.gz SJVBYNCYJUTHCZ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001409915056 925655707 /nfs/dbraw/zinc/65/57/07/925655707.db2.gz KZAGMKVAGLIDEH-ONGXEEELSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001409922177 925656459 /nfs/dbraw/zinc/65/64/59/925656459.db2.gz PBOCKDZGERXXMX-RKDXNWHRSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001409922071 925656812 /nfs/dbraw/zinc/65/68/12/925656812.db2.gz PBOCKDZGERXXMX-DTWKUNHWSA-N 1 1 323.353 -1.741 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001409969482 925658747 /nfs/dbraw/zinc/65/87/47/925658747.db2.gz FHXOIZNWCSNBJW-LLVKDONJSA-N 1 1 324.385 -1.026 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001409969482 925658753 /nfs/dbraw/zinc/65/87/53/925658753.db2.gz FHXOIZNWCSNBJW-LLVKDONJSA-N 1 1 324.385 -1.026 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001409977335 925660578 /nfs/dbraw/zinc/66/05/78/925660578.db2.gz OUNWVIKNKGHMRS-SCZZXKLOSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001409985057 925660718 /nfs/dbraw/zinc/66/07/18/925660718.db2.gz RIPWGFSPBKYNMT-VHSXEESVSA-N 1 1 313.402 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001409977346 925660734 /nfs/dbraw/zinc/66/07/34/925660734.db2.gz OUNWVIKNKGHMRS-WPRPVWTQSA-N 1 1 320.415 -1.764 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001410023161 925662283 /nfs/dbraw/zinc/66/22/83/925662283.db2.gz BWIZXFBODGWUGJ-XYYAHUGASA-N 1 1 308.382 -1.351 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001410019384 925662704 /nfs/dbraw/zinc/66/27/04/925662704.db2.gz CKBQKRJCYXRMCP-CNDDSTCGSA-N 1 1 321.385 -1.507 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001410014589 925662778 /nfs/dbraw/zinc/66/27/78/925662778.db2.gz DYRPXIMZCOFRKP-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001410014589 925662782 /nfs/dbraw/zinc/66/27/82/925662782.db2.gz DYRPXIMZCOFRKP-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001410047918 925665939 /nfs/dbraw/zinc/66/59/39/925665939.db2.gz JXZCCHAFQQWAOI-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001410058430 925666968 /nfs/dbraw/zinc/66/69/68/925666968.db2.gz FJKNFBONDSPOKM-RTCCRHLQSA-N 1 1 312.370 -2.130 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069232 925670771 /nfs/dbraw/zinc/67/07/71/925670771.db2.gz DHANTYUXSWYTKK-GHMZBOCLSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069232 925670775 /nfs/dbraw/zinc/67/07/75/925670775.db2.gz DHANTYUXSWYTKK-GHMZBOCLSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001410073410 925671512 /nfs/dbraw/zinc/67/15/12/925671512.db2.gz WCVXHGAFZHBKFU-WCQYABFASA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCCC(N)=O ZINC001410074064 925672605 /nfs/dbraw/zinc/67/26/05/925672605.db2.gz CGXOASPMZVSXNX-GHMZBOCLSA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCCC(N)=O ZINC001410074137 925673875 /nfs/dbraw/zinc/67/38/75/925673875.db2.gz CGXOASPMZVSXNX-WDEREUQCSA-N 1 1 314.386 -1.671 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075222 925674128 /nfs/dbraw/zinc/67/41/28/925674128.db2.gz CUAFNVITBCFSEB-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001410093315 925678657 /nfs/dbraw/zinc/67/86/57/925678657.db2.gz GMGKNZNKEKDVSC-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001410100410 925682057 /nfs/dbraw/zinc/68/20/57/925682057.db2.gz XJSYORYYCNNAGL-MNOVXSKESA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001410101940 925682146 /nfs/dbraw/zinc/68/21/46/925682146.db2.gz FKWRGNAAXQQQGX-FIQHERPVSA-N 1 1 309.370 -1.743 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001410105931 925683503 /nfs/dbraw/zinc/68/35/03/925683503.db2.gz DJCCBJLJDYGHPD-JTQLQIEISA-N 1 1 321.341 -1.854 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001410118078 925686625 /nfs/dbraw/zinc/68/66/25/925686625.db2.gz FMNDFZXWCPLKSY-MWLCHTKSSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001410116910 925686672 /nfs/dbraw/zinc/68/66/72/925686672.db2.gz BZFGBFZWEDFOOA-CIQGVGRVSA-N 1 1 313.398 -1.188 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccncn3)[C@@H]2C1 ZINC001410115935 925687287 /nfs/dbraw/zinc/68/72/87/925687287.db2.gz PQBQOQRXKCVOAE-OWUUHHOZSA-N 1 1 318.337 -1.421 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001410125964 925689298 /nfs/dbraw/zinc/68/92/98/925689298.db2.gz PQPDILNBAQSMPS-SECBINFHSA-N 1 1 322.329 -2.378 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001410119329 925689360 /nfs/dbraw/zinc/68/93/60/925689360.db2.gz BEDKMSXLZQLZQU-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001410127289 925690394 /nfs/dbraw/zinc/69/03/94/925690394.db2.gz XNEFCYVTBNEBBH-CNDDSTCGSA-N 1 1 320.411 -1.666 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001410139528 925691945 /nfs/dbraw/zinc/69/19/45/925691945.db2.gz ZVTZNIHWMWVUMS-GHMZBOCLSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001410139528 925691950 /nfs/dbraw/zinc/69/19/50/925691950.db2.gz ZVTZNIHWMWVUMS-GHMZBOCLSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001410139528 925691957 /nfs/dbraw/zinc/69/19/57/925691957.db2.gz ZVTZNIHWMWVUMS-GHMZBOCLSA-N 1 1 324.385 -1.799 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001410146426 925694160 /nfs/dbraw/zinc/69/41/60/925694160.db2.gz IBLZZCDNUCXXBO-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410150001 925696092 /nfs/dbraw/zinc/69/60/92/925696092.db2.gz YDPDCCDYUSLWIG-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001410169108 925699775 /nfs/dbraw/zinc/69/97/75/925699775.db2.gz FRRJVVQMBVJNNS-KKOKHZNYSA-N 1 1 310.398 -1.059 20 0 DAADMO Cn1nncc1C(=O)N1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001410221836 925703868 /nfs/dbraw/zinc/70/38/68/925703868.db2.gz SOYGGTZKKZFFCD-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001410223497 925703946 /nfs/dbraw/zinc/70/39/46/925703946.db2.gz NGSNVYFCSFMNCC-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001410259682 925705799 /nfs/dbraw/zinc/70/57/99/925705799.db2.gz OOPBWRNSSWDOBI-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC001410343001 925710757 /nfs/dbraw/zinc/71/07/57/925710757.db2.gz WNTBKEASHPZJOT-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC001410343001 925710764 /nfs/dbraw/zinc/71/07/64/925710764.db2.gz WNTBKEASHPZJOT-AXFHLTTASA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410333643 925711531 /nfs/dbraw/zinc/71/15/31/925711531.db2.gz OWGDUXLHMYDQEX-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410333643 925711537 /nfs/dbraw/zinc/71/15/37/925711537.db2.gz OWGDUXLHMYDQEX-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410336236 925711852 /nfs/dbraw/zinc/71/18/52/925711852.db2.gz WYNBDFGSPMIBCR-HBNTYKKESA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410336236 925711860 /nfs/dbraw/zinc/71/18/60/925711860.db2.gz WYNBDFGSPMIBCR-HBNTYKKESA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001410389294 925714345 /nfs/dbraw/zinc/71/43/45/925714345.db2.gz NVOOWJPQUHGEPA-SECBINFHSA-N 1 1 312.378 -1.534 20 0 DAADMO C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001410378410 925714568 /nfs/dbraw/zinc/71/45/68/925714568.db2.gz LYCFDSCIKQJCIW-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001410445295 925720161 /nfs/dbraw/zinc/72/01/61/925720161.db2.gz PTOGMZHAEKMVLQ-SNVBAGLBSA-N 1 1 324.389 -2.422 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1nccs1 ZINC001410539726 925725278 /nfs/dbraw/zinc/72/52/78/925725278.db2.gz YXOYCXBXALBJHI-MRVPVSSYSA-N 1 1 302.356 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001410562538 925726766 /nfs/dbraw/zinc/72/67/66/925726766.db2.gz RGEXLXBMFJBDON-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001410561837 925726819 /nfs/dbraw/zinc/72/68/19/925726819.db2.gz AIRYWQFZLDMPOR-SNVBAGLBSA-N 1 1 321.341 -1.195 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001410561828 925726979 /nfs/dbraw/zinc/72/69/79/925726979.db2.gz AIRYWQFZLDMPOR-JTQLQIEISA-N 1 1 321.341 -1.195 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)nn1 ZINC001410565600 925729125 /nfs/dbraw/zinc/72/91/25/925729125.db2.gz HTTNYSKBWFEYQK-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001410574440 925731000 /nfs/dbraw/zinc/73/10/00/925731000.db2.gz DPYVWAKIZJRQHC-NXEZZACHSA-N 1 1 311.342 -1.040 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410578528 925731138 /nfs/dbraw/zinc/73/11/38/925731138.db2.gz ITNHVCDMSFOQDO-JTQLQIEISA-N 1 1 319.383 -1.097 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001410582421 925732630 /nfs/dbraw/zinc/73/26/30/925732630.db2.gz NWZRXOGVGRNCLY-VIFPVBQESA-N 1 1 313.383 -1.369 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001410595660 925737102 /nfs/dbraw/zinc/73/71/02/925737102.db2.gz UMERDBKPTRIVHA-RKDXNWHRSA-N 1 1 313.383 -1.308 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2nccnc2N)n1 ZINC001410593746 925737152 /nfs/dbraw/zinc/73/71/52/925737152.db2.gz RWVZZNMEWMCTNT-JTQLQIEISA-N 1 1 305.342 -1.327 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001410615619 925740214 /nfs/dbraw/zinc/74/02/14/925740214.db2.gz FGSIIACCWDYKSK-KWQFWETISA-N 1 1 313.333 -1.156 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)c1nnn(C)n1 ZINC001410660121 925752090 /nfs/dbraw/zinc/75/20/90/925752090.db2.gz XNRBLDDZGDBRKY-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)N[C@@H]2CCCNC2=O)CCC1 ZINC001410665095 925753170 /nfs/dbraw/zinc/75/31/70/925753170.db2.gz WTWHRZOJCIYHSZ-NWDGAFQWSA-N 1 1 312.414 -1.184 20 0 DAADMO CC[C@@H](N[C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410680310 925755713 /nfs/dbraw/zinc/75/57/13/925755713.db2.gz BQUZWEVWLXGDOA-NWDGAFQWSA-N 1 1 312.414 -1.055 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001410676233 925755846 /nfs/dbraw/zinc/75/58/46/925755846.db2.gz XKAAVSPWZVVIHU-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO CC[C@@H](N[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410680317 925755920 /nfs/dbraw/zinc/75/59/20/925755920.db2.gz BQUZWEVWLXGDOA-VXGBXAGGSA-N 1 1 312.414 -1.055 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1cnn[nH]1 ZINC001410683910 925758366 /nfs/dbraw/zinc/75/83/66/925758366.db2.gz FXHAWISMYZSQMB-DTWKUNHWSA-N 1 1 306.330 -1.736 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001410708586 925763512 /nfs/dbraw/zinc/76/35/12/925763512.db2.gz VKBRWWGKCZOGNG-VHSXEESVSA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410708621 925763552 /nfs/dbraw/zinc/76/35/52/925763552.db2.gz QBLDRPUBBGCEGP-ZYHUDNBSSA-N 1 1 323.397 -1.093 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001410708574 925764088 /nfs/dbraw/zinc/76/40/88/925764088.db2.gz VKBRWWGKCZOGNG-NXEZZACHSA-N 1 1 310.354 -1.046 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001410714965 925764945 /nfs/dbraw/zinc/76/49/45/925764945.db2.gz AWISZFLJRSUEKG-MNOVXSKESA-N 1 1 308.342 -1.967 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)N[C@@H](C)c1nnnn1C ZINC001410714223 925765772 /nfs/dbraw/zinc/76/57/72/925765772.db2.gz ZTSPTVREJHACGR-QWRGUYRKSA-N 1 1 322.373 -1.457 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2cnc[nH]2)cc1=O ZINC001410723292 925766517 /nfs/dbraw/zinc/76/65/17/925766517.db2.gz KXGDSBXZNMLYHS-ZDUSSCGKSA-N 1 1 319.365 -1.082 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001410722228 925766714 /nfs/dbraw/zinc/76/67/14/925766714.db2.gz ILYACZDEMSWITG-SNVBAGLBSA-N 1 1 307.310 -1.053 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001410724645 925766788 /nfs/dbraw/zinc/76/67/88/925766788.db2.gz LSWYJFLXRJVBQN-MNOVXSKESA-N 1 1 321.337 -1.754 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H](CO)NCC(=O)N1CCCC1 ZINC001410727273 925767968 /nfs/dbraw/zinc/76/79/68/925767968.db2.gz JMBCNGWHCICJJA-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2cnc[nH]2)cc1=O ZINC001410723251 925768067 /nfs/dbraw/zinc/76/80/67/925768067.db2.gz KXGDSBXZNMLYHS-CYBMUJFWSA-N 1 1 319.365 -1.082 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001410734107 925769884 /nfs/dbraw/zinc/76/98/84/925769884.db2.gz WAYNCQOXOCOZJR-SQNXGDPESA-N 1 1 309.370 -1.051 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)CCn2cnnn2)o1 ZINC001410749374 925771831 /nfs/dbraw/zinc/77/18/31/925771831.db2.gz ASNHONMIXCXGTM-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754566 925773086 /nfs/dbraw/zinc/77/30/86/925773086.db2.gz OTMHBJOZYQYNLC-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754566 925773092 /nfs/dbraw/zinc/77/30/92/925773092.db2.gz OTMHBJOZYQYNLC-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)Cc2nc[nH]n2)n1 ZINC001410779142 925778560 /nfs/dbraw/zinc/77/85/60/925778560.db2.gz YFSDZSNBBMHYQX-JTQLQIEISA-N 1 1 321.341 -1.587 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410783277 925779584 /nfs/dbraw/zinc/77/95/84/925779584.db2.gz JZKCRVQNZRPCKV-LLVKDONJSA-N 1 1 321.385 -1.036 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001410780992 925781119 /nfs/dbraw/zinc/78/11/19/925781119.db2.gz NDYLRJJAJSSEII-LLVKDONJSA-N 1 1 321.385 -1.252 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ocnc1C ZINC001410789035 925781442 /nfs/dbraw/zinc/78/14/42/925781442.db2.gz NEHOIARZEKZRCQ-SECBINFHSA-N 1 1 320.371 -1.901 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001410797492 925783508 /nfs/dbraw/zinc/78/35/08/925783508.db2.gz IMULQJHKUBMMAB-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1[nH]c(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793985 925785106 /nfs/dbraw/zinc/78/51/06/925785106.db2.gz UXFDURQCWZDFEK-ZJUUUORDSA-N 1 1 312.374 -2.373 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001410843152 925787827 /nfs/dbraw/zinc/78/78/27/925787827.db2.gz QFJFDTRMWDQVLD-RKDXNWHRSA-N 1 1 311.346 -1.355 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC001410870374 925790081 /nfs/dbraw/zinc/79/00/81/925790081.db2.gz YRXZWFWYDPGPDC-UHFFFAOYSA-N 1 1 309.374 -1.318 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1COCCO1 ZINC001410965175 925795325 /nfs/dbraw/zinc/79/53/25/925795325.db2.gz ASPFECYVIOZTOR-GHMZBOCLSA-N 1 1 313.358 -1.861 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1COCCO1 ZINC001410965226 925795370 /nfs/dbraw/zinc/79/53/70/925795370.db2.gz ASPFECYVIOZTOR-WDEREUQCSA-N 1 1 313.358 -1.861 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001410977294 925796356 /nfs/dbraw/zinc/79/63/56/925796356.db2.gz IZZCSUUNEZXUNG-MWLCHTKSSA-N 1 1 312.374 -1.751 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001410977284 925796497 /nfs/dbraw/zinc/79/64/97/925796497.db2.gz IZZCSUUNEZXUNG-GXSJLCMTSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnsn1 ZINC001410971407 925797314 /nfs/dbraw/zinc/79/73/14/925797314.db2.gz FRCSSHHFPMQOSK-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnsn1 ZINC001410969128 925797553 /nfs/dbraw/zinc/79/75/53/925797553.db2.gz CQALDXDRWZGLFW-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001410977745 925798465 /nfs/dbraw/zinc/79/84/65/925798465.db2.gz KCMDGXCFJBREJN-GZMMTYOYSA-N 1 1 312.374 -1.453 20 0 DAADMO COCCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001410981862 925798617 /nfs/dbraw/zinc/79/86/17/925798617.db2.gz XXTUDTXYXXJOKY-VHSXEESVSA-N 1 1 300.363 -1.284 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001410985097 925799058 /nfs/dbraw/zinc/79/90/58/925799058.db2.gz OMNZYBMJWDUYTL-WPRPVWTQSA-N 1 1 313.362 -2.219 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001410977782 925799225 /nfs/dbraw/zinc/79/92/25/925799225.db2.gz KCMDGXCFJBREJN-KCJUWKMLSA-N 1 1 312.374 -1.453 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001410980214 925799280 /nfs/dbraw/zinc/79/92/80/925799280.db2.gz LLHLLMLJGKIAPG-PWSUYJOCSA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411003412 925801065 /nfs/dbraw/zinc/80/10/65/925801065.db2.gz JHSKQIFLENPGTI-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001410995822 925801242 /nfs/dbraw/zinc/80/12/42/925801242.db2.gz IJDILMMKTQPGNE-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411002394 925801403 /nfs/dbraw/zinc/80/14/03/925801403.db2.gz YOWWFSIAGJZYOF-UWVGGRQHSA-N 1 1 300.363 -1.456 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1ccon1)c1nnnn1C ZINC001411000890 925801542 /nfs/dbraw/zinc/80/15/42/925801542.db2.gz ITIVJHZOQKTWTM-ONGXEEELSA-N 1 1 323.357 -1.089 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ccon1 ZINC001411014364 925802770 /nfs/dbraw/zinc/80/27/70/925802770.db2.gz SBTYGNPHIGNEKN-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001411035633 925802883 /nfs/dbraw/zinc/80/28/83/925802883.db2.gz XDCGOUXFBPAOSZ-QMTHXVAHSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNCc1nnn(C)n1 ZINC001411049242 925803955 /nfs/dbraw/zinc/80/39/55/925803955.db2.gz LTLWNDVKEYKLRH-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(C)on1 ZINC001411047151 925804032 /nfs/dbraw/zinc/80/40/32/925804032.db2.gz TTWBEJHKYBBQJT-LLVKDONJSA-N 1 1 313.358 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)CNCc1nnnn1C ZINC001411047481 925805554 /nfs/dbraw/zinc/80/55/54/925805554.db2.gz JGJLIUPTMAAPMA-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]cc2ncnc1-2 ZINC001411052823 925806749 /nfs/dbraw/zinc/80/67/49/925806749.db2.gz CZNDVZYKSNFXFN-VIFPVBQESA-N 1 1 320.353 -1.274 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001411061512 925807341 /nfs/dbraw/zinc/80/73/41/925807341.db2.gz IMFFFTMUAPBDHR-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001411063210 925807568 /nfs/dbraw/zinc/80/75/68/925807568.db2.gz GDPGXYVRVPVIIG-JTQLQIEISA-N 1 1 323.357 -1.225 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001411061366 925807867 /nfs/dbraw/zinc/80/78/67/925807867.db2.gz DRYMXSTYBMRJRW-VHSXEESVSA-N 1 1 310.358 -1.586 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)N1C ZINC001411082821 925808860 /nfs/dbraw/zinc/80/88/60/925808860.db2.gz DTVYZIYNYKYWKH-QWRGUYRKSA-N 1 1 311.342 -1.401 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001411079470 925809358 /nfs/dbraw/zinc/80/93/58/925809358.db2.gz LFHIWUIHCBZNSQ-VIFPVBQESA-N 1 1 313.358 -1.764 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)C1 ZINC001411073615 925809420 /nfs/dbraw/zinc/80/94/20/925809420.db2.gz OEZVCEARIYUHBQ-ZDUSSCGKSA-N 1 1 324.385 -1.798 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2[nH]nnc2C)C1=O ZINC001411087124 925811384 /nfs/dbraw/zinc/81/13/84/925811384.db2.gz YHVOYTPNEWWRKU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001411090526 925812291 /nfs/dbraw/zinc/81/22/91/925812291.db2.gz NNVQZOGRCOLUEQ-NWDGAFQWSA-N 1 1 324.385 -1.655 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001411118295 925812842 /nfs/dbraw/zinc/81/28/42/925812842.db2.gz PCQJZUHPXZAZFQ-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)CNCc1nncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411131027 925816805 /nfs/dbraw/zinc/81/68/05/925816805.db2.gz AALCFRUSQADCIX-NWDGAFQWSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)CNCc1nncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411130959 925816849 /nfs/dbraw/zinc/81/68/49/925816849.db2.gz AALCFRUSQADCIX-NEPJUHHUSA-N 1 1 310.402 -1.324 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001411135190 925817437 /nfs/dbraw/zinc/81/74/37/925817437.db2.gz XAERGPWVCVHNCZ-MRVPVSSYSA-N 1 1 324.328 -1.152 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001411135190 925817446 /nfs/dbraw/zinc/81/74/46/925817446.db2.gz XAERGPWVCVHNCZ-MRVPVSSYSA-N 1 1 324.328 -1.152 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001411131538 925818664 /nfs/dbraw/zinc/81/86/64/925818664.db2.gz WQKHFCULEYRSKU-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnon1)c1nncn1C ZINC001411133725 925818755 /nfs/dbraw/zinc/81/87/55/925818755.db2.gz XOYIXWAITAMFBB-BDAKNGLRSA-N 1 1 309.330 -1.018 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001411132499 925818886 /nfs/dbraw/zinc/81/88/86/925818886.db2.gz RMKWPKBEIASBLM-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001411132499 925818897 /nfs/dbraw/zinc/81/88/97/925818897.db2.gz RMKWPKBEIASBLM-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001411145909 925819887 /nfs/dbraw/zinc/81/98/87/925819887.db2.gz HNAYPYRPGGYXTE-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001411145909 925819896 /nfs/dbraw/zinc/81/98/96/925819896.db2.gz HNAYPYRPGGYXTE-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001411146846 925820066 /nfs/dbraw/zinc/82/00/66/925820066.db2.gz GAUWSXBRYKGWGO-NEPJUHHUSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001411146846 925820071 /nfs/dbraw/zinc/82/00/71/925820071.db2.gz GAUWSXBRYKGWGO-NEPJUHHUSA-N 1 1 317.386 -1.759 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccnc2c1CC(=O)N2 ZINC001411158783 925822040 /nfs/dbraw/zinc/82/20/40/925822040.db2.gz BMMJUPPQYOLONR-JTQLQIEISA-N 1 1 322.365 -1.067 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1cncn1 ZINC001411154671 925822193 /nfs/dbraw/zinc/82/21/93/925822193.db2.gz ZESWGRVRQHHTEY-SNVBAGLBSA-N 1 1 308.346 -1.984 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cn1ncn(C)c1=O ZINC001411158725 925823089 /nfs/dbraw/zinc/82/30/89/925823089.db2.gz FEFXIZNQKTZNOE-JTQLQIEISA-N 1 1 301.347 -2.675 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001411166081 925823871 /nfs/dbraw/zinc/82/38/71/925823871.db2.gz MHZOKEVBEWXVDO-SNVBAGLBSA-N 1 1 316.333 -1.331 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001411166081 925823883 /nfs/dbraw/zinc/82/38/83/925823883.db2.gz MHZOKEVBEWXVDO-SNVBAGLBSA-N 1 1 316.333 -1.331 20 0 DAADMO COc1c[nH]c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)cc1=O ZINC001411167738 925824091 /nfs/dbraw/zinc/82/40/91/925824091.db2.gz FALCZUDCQJTZIU-SNVBAGLBSA-N 1 1 313.354 -1.260 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001411165902 925824315 /nfs/dbraw/zinc/82/43/15/925824315.db2.gz MGSWDUDLWBLEQS-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001411165902 925824322 /nfs/dbraw/zinc/82/43/22/925824322.db2.gz MGSWDUDLWBLEQS-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001411165905 925824345 /nfs/dbraw/zinc/82/43/45/925824345.db2.gz MGSWDUDLWBLEQS-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001411165905 925824356 /nfs/dbraw/zinc/82/43/56/925824356.db2.gz MGSWDUDLWBLEQS-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1c[nH]cn1 ZINC001411163895 925824817 /nfs/dbraw/zinc/82/48/17/925824817.db2.gz AAAHOBDXLWQFEW-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001411165907 925825250 /nfs/dbraw/zinc/82/52/50/925825250.db2.gz MGSWDUDLWBLEQS-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001411165907 925825257 /nfs/dbraw/zinc/82/52/57/925825257.db2.gz MGSWDUDLWBLEQS-QMTHXVAHSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001411167442 925825335 /nfs/dbraw/zinc/82/53/35/925825335.db2.gz TUROCFZUNSVMRK-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001411167442 925825345 /nfs/dbraw/zinc/82/53/45/925825345.db2.gz TUROCFZUNSVMRK-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163689 925825510 /nfs/dbraw/zinc/82/55/10/925825510.db2.gz MHQAZMPNLKWFPE-UWVGGRQHSA-N 1 1 313.362 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411163689 925825522 /nfs/dbraw/zinc/82/55/22/925825522.db2.gz MHQAZMPNLKWFPE-UWVGGRQHSA-N 1 1 313.362 -2.441 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001411165915 925825974 /nfs/dbraw/zinc/82/59/74/925825974.db2.gz MGSWDUDLWBLEQS-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001411165915 925825983 /nfs/dbraw/zinc/82/59/83/925825983.db2.gz MGSWDUDLWBLEQS-YGRLFVJLSA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001411166633 925826174 /nfs/dbraw/zinc/82/61/74/925826174.db2.gz WWTFVJBJEMWVKK-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001411166633 925826186 /nfs/dbraw/zinc/82/61/86/925826186.db2.gz WWTFVJBJEMWVKK-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411170470 925826256 /nfs/dbraw/zinc/82/62/56/925826256.db2.gz JHLOCDUVVRPJHV-QWRGUYRKSA-N 1 1 315.374 -1.813 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411176008 925826525 /nfs/dbraw/zinc/82/65/25/925826525.db2.gz QIHUNCGUEUZNQV-SNVBAGLBSA-N 1 1 312.374 -1.386 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411176008 925826532 /nfs/dbraw/zinc/82/65/32/925826532.db2.gz QIHUNCGUEUZNQV-SNVBAGLBSA-N 1 1 312.374 -1.386 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CN1CCNC(=O)C1 ZINC001411175171 925826780 /nfs/dbraw/zinc/82/67/80/925826780.db2.gz LMRCYANRJJNHOF-LLVKDONJSA-N 1 1 304.366 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CN1CCNC(=O)C1 ZINC001411175171 925826793 /nfs/dbraw/zinc/82/67/93/925826793.db2.gz LMRCYANRJJNHOF-LLVKDONJSA-N 1 1 304.366 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1ncn(C)n1 ZINC001411171386 925827241 /nfs/dbraw/zinc/82/72/41/925827241.db2.gz KUJQUANOASRVAB-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1ncn(C)n1 ZINC001411171386 925827249 /nfs/dbraw/zinc/82/72/49/925827249.db2.gz KUJQUANOASRVAB-LLVKDONJSA-N 1 1 324.385 -1.588 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1csc(=O)[nH]1 ZINC001411177303 925827332 /nfs/dbraw/zinc/82/73/32/925827332.db2.gz CCIJEZVQMNJDHE-MRVPVSSYSA-N 1 1 316.383 -1.041 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csc(=O)[nH]1 ZINC001411177303 925827339 /nfs/dbraw/zinc/82/73/39/925827339.db2.gz CCIJEZVQMNJDHE-MRVPVSSYSA-N 1 1 316.383 -1.041 20 0 DAADMO CN(C[C@H](O)CN(C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177642 925827478 /nfs/dbraw/zinc/82/74/78/925827478.db2.gz DBPZLRKZWAMTMX-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001411172647 925827747 /nfs/dbraw/zinc/82/77/47/925827747.db2.gz XJBWDTWQRAQDKT-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001411172647 925827754 /nfs/dbraw/zinc/82/77/54/925827754.db2.gz XJBWDTWQRAQDKT-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001411171766 925827777 /nfs/dbraw/zinc/82/77/77/925827777.db2.gz ZODCOBGAMNZUND-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001411171766 925827789 /nfs/dbraw/zinc/82/77/89/925827789.db2.gz ZODCOBGAMNZUND-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411170998 925827820 /nfs/dbraw/zinc/82/78/20/925827820.db2.gz XPAZDHVYIPBDPG-NSHDSACASA-N 1 1 315.370 -1.286 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411170998 925827832 /nfs/dbraw/zinc/82/78/32/925827832.db2.gz XPAZDHVYIPBDPG-NSHDSACASA-N 1 1 315.370 -1.286 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001411179089 925827961 /nfs/dbraw/zinc/82/79/61/925827961.db2.gz PUFHXGUJEJPIPS-NWDGAFQWSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001411171768 925828053 /nfs/dbraw/zinc/82/80/53/925828053.db2.gz ZODCOBGAMNZUND-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001411171768 925828061 /nfs/dbraw/zinc/82/80/61/925828061.db2.gz ZODCOBGAMNZUND-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411174724 925828211 /nfs/dbraw/zinc/82/82/11/925828211.db2.gz IXKMPNFXOPVPQA-SECBINFHSA-N 1 1 313.362 -2.337 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411174724 925828215 /nfs/dbraw/zinc/82/82/15/925828215.db2.gz IXKMPNFXOPVPQA-SECBINFHSA-N 1 1 313.362 -2.337 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411174730 925828411 /nfs/dbraw/zinc/82/84/11/925828411.db2.gz IXKMPNFXOPVPQA-VIFPVBQESA-N 1 1 313.362 -2.337 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411174730 925828419 /nfs/dbraw/zinc/82/84/19/925828419.db2.gz IXKMPNFXOPVPQA-VIFPVBQESA-N 1 1 313.362 -2.337 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001411172638 925828844 /nfs/dbraw/zinc/82/88/44/925828844.db2.gz XJBWDTWQRAQDKT-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001411172638 925828851 /nfs/dbraw/zinc/82/88/51/925828851.db2.gz XJBWDTWQRAQDKT-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001411183880 925830127 /nfs/dbraw/zinc/83/01/27/925830127.db2.gz XPMDSCOVBZADPN-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001411180326 925830429 /nfs/dbraw/zinc/83/04/29/925830429.db2.gz AJMLULKXZLVNAK-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001411191653 925831411 /nfs/dbraw/zinc/83/14/11/925831411.db2.gz QMBMYRRYLUXQFN-NSHDSACASA-N 1 1 324.381 -1.504 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001411191653 925831420 /nfs/dbraw/zinc/83/14/20/925831420.db2.gz QMBMYRRYLUXQFN-NSHDSACASA-N 1 1 324.381 -1.504 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001411198179 925831584 /nfs/dbraw/zinc/83/15/84/925831584.db2.gz FBUBQTMBPRUJHI-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001411198179 925831592 /nfs/dbraw/zinc/83/15/92/925831592.db2.gz FBUBQTMBPRUJHI-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001411224316 925834837 /nfs/dbraw/zinc/83/48/37/925834837.db2.gz FMSCLCMVSJDDLA-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001411311462 925836241 /nfs/dbraw/zinc/83/62/41/925836241.db2.gz KRWYFERGPRZZBI-MOENNCHZSA-N 1 1 321.385 -1.364 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001411379215 925838663 /nfs/dbraw/zinc/83/86/63/925838663.db2.gz XLQVTTMTSVNINM-MNOVXSKESA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523919 925844243 /nfs/dbraw/zinc/84/42/43/925844243.db2.gz RIJVIWRJWULNDL-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnn(C)n1 ZINC001411523919 925844252 /nfs/dbraw/zinc/84/42/52/925844252.db2.gz RIJVIWRJWULNDL-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO CCO[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[NH+](C)C ZINC001411529394 925844853 /nfs/dbraw/zinc/84/48/53/925844853.db2.gz JRDKOQARHNRQBG-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001411581533 925845835 /nfs/dbraw/zinc/84/58/35/925845835.db2.gz ODJXFGGFNNMNEE-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001411565022 925846105 /nfs/dbraw/zinc/84/61/05/925846105.db2.gz QSENWMFXTVXADU-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001411641334 925849165 /nfs/dbraw/zinc/84/91/65/925849165.db2.gz IGBMYJGFXNOOSG-QJPTWQEYSA-N 1 1 321.385 -1.079 20 0 DAADMO Cc1nnc(N2CCN(C)C(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001411694970 925852330 /nfs/dbraw/zinc/85/23/30/925852330.db2.gz DVZBGFRHYPPORJ-AWEZNQCLSA-N 1 1 308.386 -1.068 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1nc2ncc(CCO)cn2n1 ZINC001411741910 925854332 /nfs/dbraw/zinc/85/43/32/925854332.db2.gz MVOMZJLHFUQSKX-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2nc3ncc(CCO)cn3n2)C1 ZINC001411991979 925865365 /nfs/dbraw/zinc/86/53/65/925865365.db2.gz QEGKVGZWQLSZEF-CQSZACIVSA-N 1 1 320.353 -1.545 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC001412093943 925872747 /nfs/dbraw/zinc/87/27/47/925872747.db2.gz RWXDTORTCNRUGI-NXEZZACHSA-N 1 1 301.343 -1.776 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC001412093943 925872753 /nfs/dbraw/zinc/87/27/53/925872753.db2.gz RWXDTORTCNRUGI-NXEZZACHSA-N 1 1 301.343 -1.776 20 0 DAADMO C[C@H](O)c1cn(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)nn1 ZINC001412110018 925873685 /nfs/dbraw/zinc/87/36/85/925873685.db2.gz NJNFARLUBFMGQT-SDDRHHMPSA-N 1 1 309.370 -1.001 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001412228398 925880829 /nfs/dbraw/zinc/88/08/29/925880829.db2.gz WRLAJXDRQZQZIH-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001412228398 925880842 /nfs/dbraw/zinc/88/08/42/925880842.db2.gz WRLAJXDRQZQZIH-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001412227912 925881749 /nfs/dbraw/zinc/88/17/49/925881749.db2.gz RRGNJYQEHRNFIT-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC001412227912 925881759 /nfs/dbraw/zinc/88/17/59/925881759.db2.gz RRGNJYQEHRNFIT-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001412260088 925883280 /nfs/dbraw/zinc/88/32/80/925883280.db2.gz RJQVUYXBTANOGE-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO COCCn1nc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1=O ZINC001412310847 925885428 /nfs/dbraw/zinc/88/54/28/925885428.db2.gz LXJBVEJYZDIFET-GFCCVEGCSA-N 1 1 322.365 -1.219 20 0 DAADMO COCCn1nc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1=O ZINC001412310847 925885438 /nfs/dbraw/zinc/88/54/38/925885438.db2.gz LXJBVEJYZDIFET-GFCCVEGCSA-N 1 1 322.365 -1.219 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001412349195 925888518 /nfs/dbraw/zinc/88/85/18/925888518.db2.gz ASAZAODNNDOMOK-LLVKDONJSA-N 1 1 320.415 -1.637 20 0 DAADMO C[NH+](C)Cc1ccc(C(=O)N2CC(NS(N)(=O)=O)C2)o1 ZINC001412398941 925891512 /nfs/dbraw/zinc/89/15/12/925891512.db2.gz BBEYJFGQXNUNLJ-UHFFFAOYSA-N 1 1 302.356 -1.041 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001412402641 925891845 /nfs/dbraw/zinc/89/18/45/925891845.db2.gz AGASLOYZWDABFS-CYBMUJFWSA-N 1 1 321.381 -1.203 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001412404753 925892794 /nfs/dbraw/zinc/89/27/94/925892794.db2.gz DMGHYPJPWSTAJG-UHFFFAOYSA-N 1 1 324.341 -1.684 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CC1CS(=O)(=O)C1 ZINC001412404639 925892950 /nfs/dbraw/zinc/89/29/50/925892950.db2.gz DCELJKCFAAWKFW-UHFFFAOYSA-N 1 1 317.411 -1.347 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC001412414748 925894263 /nfs/dbraw/zinc/89/42/63/925894263.db2.gz WUDKTGLPCBZMEL-UHFFFAOYSA-N 1 1 323.357 -2.391 20 0 DAADMO O=C(CCc1nc(-c2nc[nH]n2)no1)N1CC[NH+](CCO)CC1 ZINC001412414932 925894522 /nfs/dbraw/zinc/89/45/22/925894522.db2.gz SZNQINQCEGRBLY-UHFFFAOYSA-N 1 1 321.341 -1.076 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001412443256 925897934 /nfs/dbraw/zinc/89/79/34/925897934.db2.gz NXSSPJUVMRQDIG-NXEZZACHSA-N 1 1 324.341 -1.817 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1ccnc2c1CC(=O)N2 ZINC001412457776 925899564 /nfs/dbraw/zinc/89/95/64/925899564.db2.gz HRVQZNJRURMKCB-CQSZACIVSA-N 1 1 306.322 -1.343 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514256 925906076 /nfs/dbraw/zinc/90/60/76/925906076.db2.gz JXEYPGLXLIFWHW-SDBXPKJASA-N 1 1 308.342 -1.907 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1nnc2n1CCNC2=O ZINC001412514256 925906087 /nfs/dbraw/zinc/90/60/87/925906087.db2.gz JXEYPGLXLIFWHW-SDBXPKJASA-N 1 1 308.342 -1.907 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001412521653 925907719 /nfs/dbraw/zinc/90/77/19/925907719.db2.gz WOERKOAZAFMIGV-YMTOWFKASA-N 1 1 320.353 -1.169 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001412526308 925907804 /nfs/dbraw/zinc/90/78/04/925907804.db2.gz BRCLOPQUMTUZTB-SECBINFHSA-N 1 1 301.347 -2.704 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001412524432 925908639 /nfs/dbraw/zinc/90/86/39/925908639.db2.gz YTLHSMQSVZSIHJ-NWDGAFQWSA-N 1 1 317.411 -1.455 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001412532629 925908679 /nfs/dbraw/zinc/90/86/79/925908679.db2.gz LGHKAQPKWKDFHF-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001412532629 925908690 /nfs/dbraw/zinc/90/86/90/925908690.db2.gz LGHKAQPKWKDFHF-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO C[NH+](C)CCN1CCC(CNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001412530057 925908750 /nfs/dbraw/zinc/90/87/50/925908750.db2.gz VKYIMXXSDKFAOO-LBPRGKRZSA-N 1 1 315.418 -1.595 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001412540200 925909720 /nfs/dbraw/zinc/90/97/20/925909720.db2.gz KWKGRDSNLKXWCJ-LLVKDONJSA-N 1 1 319.369 -1.747 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001412552387 925911579 /nfs/dbraw/zinc/91/15/79/925911579.db2.gz VRLBLPLOBDDXHO-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001412660962 925922122 /nfs/dbraw/zinc/92/21/22/925922122.db2.gz JNHHQIDVYUOKLY-UMNHJUIQSA-N 1 1 321.385 -1.223 20 0 DAADMO NS(=O)(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001412694227 925925370 /nfs/dbraw/zinc/92/53/70/925925370.db2.gz TVZVOROQCLHSMR-GFCCVEGCSA-N 1 1 319.427 -1.030 20 0 DAADMO COCCn1nc(C(=O)N2CC([NH2+]C3COC3)C2)ccc1=O ZINC001412721765 925926867 /nfs/dbraw/zinc/92/68/67/925926867.db2.gz LKFURSOIOKKBTE-UHFFFAOYSA-N 1 1 308.338 -1.298 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1CC([NH2+]C2COC2)C1 ZINC001412719718 925926954 /nfs/dbraw/zinc/92/69/54/925926954.db2.gz CQZXDWWKFOLJSI-UHFFFAOYSA-N 1 1 303.322 -1.305 20 0 DAADMO Nc1ncnc2c1ncn2CCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001412739053 925931480 /nfs/dbraw/zinc/93/14/80/925931480.db2.gz RVSATZBRYJVGDJ-UHFFFAOYSA-N 1 1 317.353 -1.002 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]1C ZINC001412744904 925932829 /nfs/dbraw/zinc/93/28/29/925932829.db2.gz BGDWFXCLIUIRDL-UWVGGRQHSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]1C ZINC001412744904 925932836 /nfs/dbraw/zinc/93/28/36/925932836.db2.gz BGDWFXCLIUIRDL-UWVGGRQHSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]1C ZINC001412744905 925933008 /nfs/dbraw/zinc/93/30/08/925933008.db2.gz BGDWFXCLIUIRDL-VHSXEESVSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]1C ZINC001412744905 925933014 /nfs/dbraw/zinc/93/30/14/925933014.db2.gz BGDWFXCLIUIRDL-VHSXEESVSA-N 1 1 316.358 -1.889 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001412757021 925936353 /nfs/dbraw/zinc/93/63/53/925936353.db2.gz NJUCVJXSEKFZLB-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001412759658 925937100 /nfs/dbraw/zinc/93/71/00/925937100.db2.gz RQVIPJXKTPXQLR-RYUDHWBXSA-N 1 1 309.370 -1.572 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412761781 925937145 /nfs/dbraw/zinc/93/71/45/925937145.db2.gz LRBOGHSCTZPTIR-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412761781 925937152 /nfs/dbraw/zinc/93/71/52/925937152.db2.gz LRBOGHSCTZPTIR-DGCLKSJQSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001412761787 925937519 /nfs/dbraw/zinc/93/75/19/925937519.db2.gz LRBOGHSCTZPTIR-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001412761787 925937527 /nfs/dbraw/zinc/93/75/27/925937527.db2.gz LRBOGHSCTZPTIR-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001412768236 925939422 /nfs/dbraw/zinc/93/94/22/925939422.db2.gz CHPSRKFSOUDAEG-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)C)C1 ZINC001412769872 925941098 /nfs/dbraw/zinc/94/10/98/925941098.db2.gz WADDALDANQPMJE-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)C)C1 ZINC001412769872 925941107 /nfs/dbraw/zinc/94/11/07/925941107.db2.gz WADDALDANQPMJE-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001412771873 925941383 /nfs/dbraw/zinc/94/13/83/925941383.db2.gz FMIFOXUDHSTESR-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnsn1 ZINC001412783578 925945173 /nfs/dbraw/zinc/94/51/73/925945173.db2.gz OSTBGYLQYXBILS-SCZZXKLOSA-N 1 1 313.383 -1.161 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787485 925947479 /nfs/dbraw/zinc/94/74/79/925947479.db2.gz VVMWXWGXQLXBRC-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412787485 925947488 /nfs/dbraw/zinc/94/74/88/925947488.db2.gz VVMWXWGXQLXBRC-WDEREUQCSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1cnoc1 ZINC001412789963 925948413 /nfs/dbraw/zinc/94/84/13/925948413.db2.gz GVCDCMAJYIEGHD-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001412791088 925948627 /nfs/dbraw/zinc/94/86/27/925948627.db2.gz HYGBLMZCGXZZQM-BNDIWNMDSA-N 1 1 311.382 -1.434 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001412790402 925948685 /nfs/dbraw/zinc/94/86/85/925948685.db2.gz AZCXSRPQCMZNJL-SNVBAGLBSA-N 1 1 305.285 -1.384 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)C1 ZINC001412792027 925948723 /nfs/dbraw/zinc/94/87/23/925948723.db2.gz GPTRGKUNDCNCEH-ZOWXZIJZSA-N 1 1 321.381 -1.401 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001412792022 925949216 /nfs/dbraw/zinc/94/92/16/925949216.db2.gz GPTRGKUNDCNCEH-XUJVJEKNSA-N 1 1 321.381 -1.401 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC(C)(C)O ZINC001412793000 925950111 /nfs/dbraw/zinc/95/01/11/925950111.db2.gz KQZNJPHYXHBHNQ-QWRGUYRKSA-N 1 1 301.387 -1.165 20 0 DAADMO CO[C@]1(C(=O)NC[C@]2(O)CC[N@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795234 925950246 /nfs/dbraw/zinc/95/02/46/925950246.db2.gz MXEZKRZXLOWHEQ-VXGBXAGGSA-N 1 1 306.384 -1.627 20 0 DAADMO CO[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCS(=O)(=O)C1 ZINC001412795234 925950252 /nfs/dbraw/zinc/95/02/52/925950252.db2.gz MXEZKRZXLOWHEQ-VXGBXAGGSA-N 1 1 306.384 -1.627 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001412800965 925951595 /nfs/dbraw/zinc/95/15/95/925951595.db2.gz RIVOFPOXTUMPRQ-ONGXEEELSA-N 1 1 310.358 -1.884 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cncnc1 ZINC001412805029 925953697 /nfs/dbraw/zinc/95/36/97/925953697.db2.gz UOWNDJCRDFOLAR-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cocn2)C1 ZINC001412806839 925953890 /nfs/dbraw/zinc/95/38/90/925953890.db2.gz HKFOMMWHEJNGTA-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cocn2)C1 ZINC001412806839 925953896 /nfs/dbraw/zinc/95/38/96/925953896.db2.gz HKFOMMWHEJNGTA-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cocn2)C1 ZINC001412806650 925953935 /nfs/dbraw/zinc/95/39/35/925953935.db2.gz HKFOMMWHEJNGTA-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cocn2)C1 ZINC001412806650 925953942 /nfs/dbraw/zinc/95/39/42/925953942.db2.gz HKFOMMWHEJNGTA-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412804952 925954222 /nfs/dbraw/zinc/95/42/22/925954222.db2.gz UMDZBGUMTZJXHE-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818900 925958775 /nfs/dbraw/zinc/95/87/75/925958775.db2.gz QJUIZAHCERWRQJ-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818900 925958782 /nfs/dbraw/zinc/95/87/82/925958782.db2.gz QJUIZAHCERWRQJ-ZYHUDNBSSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001412836512 925963006 /nfs/dbraw/zinc/96/30/06/925963006.db2.gz DZSJFCIRBTUZAJ-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001412836512 925963014 /nfs/dbraw/zinc/96/30/14/925963014.db2.gz DZSJFCIRBTUZAJ-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001412836512 925963022 /nfs/dbraw/zinc/96/30/22/925963022.db2.gz DZSJFCIRBTUZAJ-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001412836540 925963460 /nfs/dbraw/zinc/96/34/60/925963460.db2.gz DZSJFCIRBTUZAJ-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001412836540 925963466 /nfs/dbraw/zinc/96/34/66/925963466.db2.gz DZSJFCIRBTUZAJ-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001412836540 925963470 /nfs/dbraw/zinc/96/34/70/925963470.db2.gz DZSJFCIRBTUZAJ-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2nnc[nH]2)C1 ZINC001412854819 925969335 /nfs/dbraw/zinc/96/93/35/925969335.db2.gz WJOOGNAXCNLSAR-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854819 925969340 /nfs/dbraw/zinc/96/93/40/925969340.db2.gz WJOOGNAXCNLSAR-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854819 925969350 /nfs/dbraw/zinc/96/93/50/925969350.db2.gz WJOOGNAXCNLSAR-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860135 925969371 /nfs/dbraw/zinc/96/93/71/925969371.db2.gz AXMOBDHKZLWPTO-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860135 925969376 /nfs/dbraw/zinc/96/93/76/925969376.db2.gz AXMOBDHKZLWPTO-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412857579 925969661 /nfs/dbraw/zinc/96/96/61/925969661.db2.gz JOJOQZXDESBEOW-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001412863725 925971085 /nfs/dbraw/zinc/97/10/85/925971085.db2.gz SCEYFESPPPHWJT-SNVBAGLBSA-N 1 1 306.326 -1.178 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864165 925971189 /nfs/dbraw/zinc/97/11/89/925971189.db2.gz ICXWPWMTBOTLFB-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864165 925971200 /nfs/dbraw/zinc/97/12/00/925971200.db2.gz ICXWPWMTBOTLFB-QWHCGFSZSA-N 1 1 324.381 -1.058 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001412868178 925973761 /nfs/dbraw/zinc/97/37/61/925973761.db2.gz ZTYPSIWDZXFENW-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001412897988 925978968 /nfs/dbraw/zinc/97/89/68/925978968.db2.gz VMXCOJSIWJPKPD-ONGXEEELSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897988 925978973 /nfs/dbraw/zinc/97/89/73/925978973.db2.gz VMXCOJSIWJPKPD-ONGXEEELSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897988 925978980 /nfs/dbraw/zinc/97/89/80/925978980.db2.gz VMXCOJSIWJPKPD-ONGXEEELSA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001412903082 925980469 /nfs/dbraw/zinc/98/04/69/925980469.db2.gz LBJLSIOXDIDRIU-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)CC[N@H+]1C ZINC001412911132 925981637 /nfs/dbraw/zinc/98/16/37/925981637.db2.gz YUQYWPOHEJOOSK-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001412910822 925982045 /nfs/dbraw/zinc/98/20/45/925982045.db2.gz XNYXTXCXDSZOLT-XQQFMLRXSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1ccnc1 ZINC001412914439 925983596 /nfs/dbraw/zinc/98/35/96/925983596.db2.gz GZYQKQCZSHBZBY-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001412927347 925986525 /nfs/dbraw/zinc/98/65/25/925986525.db2.gz UZMJXQNXXPQGDG-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO CN(Cc1nnc2n1CCOC2)C[C@@H](O)C[NH+]1CCOCC1 ZINC001412948401 925989089 /nfs/dbraw/zinc/98/90/89/925989089.db2.gz PJNKMVPPKLIAGD-GFCCVEGCSA-N 1 1 311.386 -1.067 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001412947286 925989781 /nfs/dbraw/zinc/98/97/81/925989781.db2.gz LIVGGUVFUGKBJX-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001412947286 925989788 /nfs/dbraw/zinc/98/97/88/925989788.db2.gz LIVGGUVFUGKBJX-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001412947286 925989796 /nfs/dbraw/zinc/98/97/96/925989796.db2.gz LIVGGUVFUGKBJX-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001412947286 925989801 /nfs/dbraw/zinc/98/98/01/925989801.db2.gz LIVGGUVFUGKBJX-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001412947286 925989806 /nfs/dbraw/zinc/98/98/06/925989806.db2.gz LIVGGUVFUGKBJX-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001412957093 925992474 /nfs/dbraw/zinc/99/24/74/925992474.db2.gz NTRQTAQHXRDXDQ-QWRGUYRKSA-N 1 1 324.385 -1.543 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001412979605 925996667 /nfs/dbraw/zinc/99/66/67/925996667.db2.gz TWTCJHYCBVHFMR-TZMCWYRMSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001412979605 925996675 /nfs/dbraw/zinc/99/66/75/925996675.db2.gz TWTCJHYCBVHFMR-TZMCWYRMSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1)[NH+](C)C ZINC001412979161 925996820 /nfs/dbraw/zinc/99/68/20/925996820.db2.gz GJHYDZIRPRIWGY-MWLCHTKSSA-N 1 1 312.374 -1.402 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1nnn(C)n1 ZINC001412987337 925998994 /nfs/dbraw/zinc/99/89/94/925998994.db2.gz HKPVGUVDZNTYDB-VIFPVBQESA-N 1 1 313.362 -2.241 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001412997361 926000374 /nfs/dbraw/zinc/00/03/74/926000374.db2.gz NPPPPDUHAFKGKH-GHMZBOCLSA-N 1 1 303.384 -1.533 20 0 DAADMO Cn1cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC001413002290 926000905 /nfs/dbraw/zinc/00/09/05/926000905.db2.gz UMUPSMUUJJIHBN-UHFFFAOYSA-N 1 1 321.381 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001413015854 926003801 /nfs/dbraw/zinc/00/38/01/926003801.db2.gz QAILWHYRPHQIPG-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001413015856 926004068 /nfs/dbraw/zinc/00/40/68/926004068.db2.gz QAILWHYRPHQIPG-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO Cn1cc(C2=NC[C@H](C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)O2)cn1 ZINC001413028299 926004777 /nfs/dbraw/zinc/00/47/77/926004777.db2.gz POQLNHBQRPKKPL-MXWKQRLJSA-N 1 1 320.353 -1.916 20 0 DAADMO CN(C)C(=O)CN1CCC[N@@H+](CCCS(N)(=O)=O)CC1 ZINC001413057502 926007393 /nfs/dbraw/zinc/00/73/93/926007393.db2.gz KEGBUEGMRPZNAA-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(CCCS(N)(=O)=O)CC1 ZINC001413057502 926007403 /nfs/dbraw/zinc/00/74/03/926007403.db2.gz KEGBUEGMRPZNAA-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(CCCS(N)(=O)=O)CC1 ZINC001413057502 926007414 /nfs/dbraw/zinc/00/74/14/926007414.db2.gz KEGBUEGMRPZNAA-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO C[C@H](CN1CCOCC1)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001413066952 926008279 /nfs/dbraw/zinc/00/82/79/926008279.db2.gz IVQMFSVNQREELK-OLZOCXBDSA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@@H](CN1CCN2[C@@H](CNS2(=O)=O)C1)C[NH+]1CCOCC1 ZINC001413066952 926008283 /nfs/dbraw/zinc/00/82/83/926008283.db2.gz IVQMFSVNQREELK-OLZOCXBDSA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@H](CN1CCOCC1)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001413066948 926008460 /nfs/dbraw/zinc/00/84/60/926008460.db2.gz IVQMFSVNQREELK-CHWSQXEVSA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@@H](CN1CCN2[C@H](CNS2(=O)=O)C1)C[NH+]1CCOCC1 ZINC001413066948 926008471 /nfs/dbraw/zinc/00/84/71/926008471.db2.gz IVQMFSVNQREELK-CHWSQXEVSA-N 1 1 318.443 -1.211 20 0 DAADMO CNC(=O)C[N@@H+]1CCCN(Cc2nc(N)nc(N(C)C)n2)CC1 ZINC001413068018 926009192 /nfs/dbraw/zinc/00/91/92/926009192.db2.gz ZEYRPIGUTAEORQ-UHFFFAOYSA-N 1 1 322.417 -1.227 20 0 DAADMO CNC(=O)C[N@H+]1CCCN(Cc2nc(N)nc(N(C)C)n2)CC1 ZINC001413068018 926009193 /nfs/dbraw/zinc/00/91/93/926009193.db2.gz ZEYRPIGUTAEORQ-UHFFFAOYSA-N 1 1 322.417 -1.227 20 0 DAADMO COC(=O)[C@H]1C[NH+](CCNS(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001413090795 926010076 /nfs/dbraw/zinc/01/00/76/926010076.db2.gz PZNLOFCCAASSTP-IUCAKERBSA-N 1 1 308.356 -1.570 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001413147695 926013336 /nfs/dbraw/zinc/01/33/36/926013336.db2.gz DHITXBVOYQBQNB-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO O=C(c1cnn(C[C@@H](O)CO)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001413226473 926018761 /nfs/dbraw/zinc/01/87/61/926018761.db2.gz PBJYLDYNGJOZTK-YNEHKIRRSA-N 1 1 310.354 -1.873 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001413230122 926019245 /nfs/dbraw/zinc/01/92/45/926019245.db2.gz AXNHHUSNZYENAI-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413265282 926025366 /nfs/dbraw/zinc/02/53/66/926025366.db2.gz LCYPHOXLKDDAIY-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413274157 926026404 /nfs/dbraw/zinc/02/64/04/926026404.db2.gz YVGYBYPKXSFJMR-NEPJUHHUSA-N 1 1 321.381 -1.023 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001413298352 926029531 /nfs/dbraw/zinc/02/95/31/926029531.db2.gz QDGSKTHZSUTSII-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001413300740 926030120 /nfs/dbraw/zinc/03/01/20/926030120.db2.gz QVMBJIZVFGMGAY-UHFFFAOYSA-N 1 1 321.399 -1.380 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001413300740 926030129 /nfs/dbraw/zinc/03/01/29/926030129.db2.gz QVMBJIZVFGMGAY-UHFFFAOYSA-N 1 1 321.399 -1.380 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNC(=O)c1cnon1 ZINC001413293498 926030225 /nfs/dbraw/zinc/03/02/25/926030225.db2.gz AWIUQLIAFBLQFY-SNVBAGLBSA-N 1 1 322.325 -1.176 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001413330055 926035942 /nfs/dbraw/zinc/03/59/42/926035942.db2.gz DNNKGBOLWJOGHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330055 926035949 /nfs/dbraw/zinc/03/59/49/926035949.db2.gz DNNKGBOLWJOGHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330055 926035956 /nfs/dbraw/zinc/03/59/56/926035956.db2.gz DNNKGBOLWJOGHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330055 926035966 /nfs/dbraw/zinc/03/59/66/926035966.db2.gz DNNKGBOLWJOGHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330055 926035976 /nfs/dbraw/zinc/03/59/76/926035976.db2.gz DNNKGBOLWJOGHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1cnc[nH]1 ZINC001413341237 926038496 /nfs/dbraw/zinc/03/84/96/926038496.db2.gz QCNYFNWFNYFQHD-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cncn1 ZINC001413355920 926041661 /nfs/dbraw/zinc/04/16/61/926041661.db2.gz LAUVQXNINSTACF-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](CO)NC(N)=O ZINC001413358219 926043067 /nfs/dbraw/zinc/04/30/67/926043067.db2.gz SQBCERJGIKEHEC-VIFPVBQESA-N 1 1 301.347 -2.752 20 0 DAADMO CC[C@H](O)Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)nn1 ZINC001413417768 926051744 /nfs/dbraw/zinc/05/17/44/926051744.db2.gz DVDWNGBJEQKBAA-GWCFXTLKSA-N 1 1 313.358 -1.870 20 0 DAADMO COC(=O)c1ccn(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001413424537 926051767 /nfs/dbraw/zinc/05/17/67/926051767.db2.gz VBEDGEIYQCNING-CYBMUJFWSA-N 1 1 312.326 -1.863 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)CC2 ZINC001413423191 926052132 /nfs/dbraw/zinc/05/21/32/926052132.db2.gz QQMJADOINCVGHF-YGRLFVJLSA-N 1 1 309.370 -1.613 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC001413423188 926052267 /nfs/dbraw/zinc/05/22/67/926052267.db2.gz QQMJADOINCVGHF-IINYFYTJSA-N 1 1 309.370 -1.613 20 0 DAADMO O=C(Cn1nnc2ccccc21)NC[C@]1(CO)COCC[NH2+]1 ZINC001413425655 926052416 /nfs/dbraw/zinc/05/24/16/926052416.db2.gz YAVNIZDHMYHMQM-AWEZNQCLSA-N 1 1 305.338 -1.102 20 0 DAADMO C[C@@H](C(=O)NCc1cn(C)c(=O)[nH]c1=O)N1CC[NH+](C)CC1 ZINC001413458755 926056041 /nfs/dbraw/zinc/05/60/41/926056041.db2.gz WCJGASDKMCMKRO-JTQLQIEISA-N 1 1 309.370 -1.262 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(=O)n(C)c1=O ZINC001413494334 926057887 /nfs/dbraw/zinc/05/78/87/926057887.db2.gz VFEMTNXAQLTZQO-WDEREUQCSA-N 1 1 322.365 -1.635 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001413477046 926057990 /nfs/dbraw/zinc/05/79/90/926057990.db2.gz NKTVXHOSRNAGEQ-AWEZNQCLSA-N 1 1 322.369 -1.516 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001413568999 926064613 /nfs/dbraw/zinc/06/46/13/926064613.db2.gz FDPLDAXOVUYQDZ-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587350 926065073 /nfs/dbraw/zinc/06/50/73/926065073.db2.gz HGWRKOHEDHKVAC-GXSJLCMTSA-N 1 1 305.400 -1.231 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587350 926065082 /nfs/dbraw/zinc/06/50/82/926065082.db2.gz HGWRKOHEDHKVAC-GXSJLCMTSA-N 1 1 305.400 -1.231 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@]2(C)CCNC2=O)CC1 ZINC001413683759 926070088 /nfs/dbraw/zinc/07/00/88/926070088.db2.gz KOEDPBNTZAOYBH-AWEZNQCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001413730464 926071624 /nfs/dbraw/zinc/07/16/24/926071624.db2.gz PNEVCUIIOQMZHC-LBPRGKRZSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC001413745823 926075121 /nfs/dbraw/zinc/07/51/21/926075121.db2.gz DFALYYBUCZUCEG-VIFPVBQESA-N 1 1 306.388 -1.611 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001413798066 926076352 /nfs/dbraw/zinc/07/63/52/926076352.db2.gz YUTVOQPVUNQLHG-PHIMTYICSA-N 1 1 322.431 -1.368 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 ZINC001413873335 926080452 /nfs/dbraw/zinc/08/04/52/926080452.db2.gz UWVIISOTCBBXLE-TXEJJXNPSA-N 1 1 301.412 -1.263 20 0 DAADMO Cn1ccn2c(CNC(=O)CN3CC[NH+](C)CC3)nnc2c1=O ZINC001413863149 926080924 /nfs/dbraw/zinc/08/09/24/926080924.db2.gz ZDOJOJBBLWNJQO-UHFFFAOYSA-N 1 1 319.369 -1.708 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@H]1C(N)=O ZINC001413858265 926081029 /nfs/dbraw/zinc/08/10/29/926081029.db2.gz MXVNCQUNFYLSPC-AXFHLTTASA-N 1 1 309.370 -2.579 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001413940026 926085320 /nfs/dbraw/zinc/08/53/20/926085320.db2.gz ZSDHHTOYEXIWOP-LLVKDONJSA-N 1 1 320.415 -1.173 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC001413958633 926088443 /nfs/dbraw/zinc/08/84/43/926088443.db2.gz SEUQDIFPQGFTHJ-QWRGUYRKSA-N 1 1 307.416 -1.233 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001413988872 926093411 /nfs/dbraw/zinc/09/34/11/926093411.db2.gz YGWJSAKHNINSFM-VXGBXAGGSA-N 1 1 322.427 -1.111 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC001413997567 926093923 /nfs/dbraw/zinc/09/39/23/926093923.db2.gz DNBHHYYUJBHLBX-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)CCN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC001413997567 926093927 /nfs/dbraw/zinc/09/39/27/926093927.db2.gz DNBHHYYUJBHLBX-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)CCN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001413997567 926093936 /nfs/dbraw/zinc/09/39/36/926093936.db2.gz DNBHHYYUJBHLBX-SNVBAGLBSA-N 1 1 300.359 -1.131 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001413983931 926094181 /nfs/dbraw/zinc/09/41/81/926094181.db2.gz IHUPFFQEWNWGGR-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H]1COCC[N@@H+]1CCN1CCOC[C@H]1CNS(C)(=O)=O ZINC001414014714 926094628 /nfs/dbraw/zinc/09/46/28/926094628.db2.gz BZEWJAZECOBJRN-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H]1COCC[N@H+]1CCN1CCOC[C@H]1CNS(C)(=O)=O ZINC001414014714 926094637 /nfs/dbraw/zinc/09/46/37/926094637.db2.gz BZEWJAZECOBJRN-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO Cc1cccnc1NC(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001414015523 926095543 /nfs/dbraw/zinc/09/55/43/926095543.db2.gz FMEDVTDXBBOYMZ-UWVGGRQHSA-N 1 1 305.338 -1.153 20 0 DAADMO C[C@@H]1COCCN1CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032629 926097596 /nfs/dbraw/zinc/09/75/96/926097596.db2.gz FMOGJJBAXHPIPF-VXGBXAGGSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCCN1CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032629 926097608 /nfs/dbraw/zinc/09/76/08/926097608.db2.gz FMOGJJBAXHPIPF-VXGBXAGGSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCC[N@@H+]1CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032629 926097614 /nfs/dbraw/zinc/09/76/14/926097614.db2.gz FMOGJJBAXHPIPF-VXGBXAGGSA-N 1 1 304.416 -1.459 20 0 DAADMO C[C@@H]1COCC[N@H+]1CCN1CCN2[C@H](CNS2(=O)=O)C1 ZINC001414032629 926097617 /nfs/dbraw/zinc/09/76/17/926097617.db2.gz FMOGJJBAXHPIPF-VXGBXAGGSA-N 1 1 304.416 -1.459 20 0 DAADMO CN(C)S(=O)(=O)CC[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001414030893 926097753 /nfs/dbraw/zinc/09/77/53/926097753.db2.gz CDJWVOGNCVBQLT-UHFFFAOYSA-N 1 1 317.415 -1.010 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414037489 926098999 /nfs/dbraw/zinc/09/89/99/926098999.db2.gz QYDKTIWTISFFRA-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414037489 926099008 /nfs/dbraw/zinc/09/90/08/926099008.db2.gz QYDKTIWTISFFRA-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001414058744 926104492 /nfs/dbraw/zinc/10/44/92/926104492.db2.gz DUAPINTVROMSIC-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001414054926 926104574 /nfs/dbraw/zinc/10/45/74/926104574.db2.gz MGNDJLLKGPPJRJ-RYUDHWBXSA-N 1 1 315.414 -1.060 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001414054926 926104575 /nfs/dbraw/zinc/10/45/75/926104575.db2.gz MGNDJLLKGPPJRJ-RYUDHWBXSA-N 1 1 315.414 -1.060 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)[nH]1 ZINC001414068869 926105878 /nfs/dbraw/zinc/10/58/78/926105878.db2.gz SINMDRKYNZJNLC-NEPJUHHUSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001414095090 926106107 /nfs/dbraw/zinc/10/61/07/926106107.db2.gz BMHHBVQGTDEKCM-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C1OCCN1CCS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC001414271938 926114706 /nfs/dbraw/zinc/11/47/06/926114706.db2.gz OLGXPSDCLQLBMU-UHFFFAOYSA-N 1 1 321.399 -1.185 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c(=O)[nH]c1=O ZINC001414283326 926116531 /nfs/dbraw/zinc/11/65/31/926116531.db2.gz OQRAMPQJKIIIFX-MRVPVSSYSA-N 1 1 302.356 -1.284 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2cnc(N)nc2)CC1 ZINC001414342739 926118964 /nfs/dbraw/zinc/11/89/64/926118964.db2.gz XNVCCBMPTJXVAY-UHFFFAOYSA-N 1 1 314.371 -1.889 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001414367188 926124173 /nfs/dbraw/zinc/12/41/73/926124173.db2.gz QOLHCNOCMBJRGB-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001414485415 926127549 /nfs/dbraw/zinc/12/75/49/926127549.db2.gz FUTHQODMNYPNIC-UHFFFAOYSA-N 1 1 317.371 -1.074 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001414543248 926130277 /nfs/dbraw/zinc/13/02/77/926130277.db2.gz FUKWGNJLYMBVKV-UHFFFAOYSA-N 1 1 302.375 -1.414 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414542511 926130652 /nfs/dbraw/zinc/13/06/52/926130652.db2.gz TXHSWCKCMUFQQW-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001414557241 926131485 /nfs/dbraw/zinc/13/14/85/926131485.db2.gz APIIHFKCDNHKAI-WDEREUQCSA-N 1 1 320.415 -1.221 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001414558516 926132299 /nfs/dbraw/zinc/13/22/99/926132299.db2.gz FZXQQPSXNZTHRP-ZJUUUORDSA-N 1 1 318.399 -1.468 20 0 DAADMO C[C@@H](NC(=O)N(C)CCS(N)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC001414572718 926133428 /nfs/dbraw/zinc/13/34/28/926133428.db2.gz JOQLENAIXPUACV-NXEZZACHSA-N 1 1 308.404 -1.365 20 0 DAADMO C[C@@H](NC(=O)N(C)CCS(N)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC001414572718 926133437 /nfs/dbraw/zinc/13/34/37/926133437.db2.gz JOQLENAIXPUACV-NXEZZACHSA-N 1 1 308.404 -1.365 20 0 DAADMO O=C(NCc1nnc2n1CCOC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001414621856 926137108 /nfs/dbraw/zinc/13/71/08/926137108.db2.gz BBBPEVMEXIAZBZ-WDEREUQCSA-N 1 1 322.369 -1.231 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001414647605 926138273 /nfs/dbraw/zinc/13/82/73/926138273.db2.gz VJXHCFTURWLSSP-PWSUYJOCSA-N 1 1 322.431 -1.320 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC001414663030 926139028 /nfs/dbraw/zinc/13/90/28/926139028.db2.gz QXGNAHVOYXLZOR-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001414791718 926147832 /nfs/dbraw/zinc/14/78/32/926147832.db2.gz WVGBUSLAEUVPDZ-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001414791966 926148958 /nfs/dbraw/zinc/14/89/58/926148958.db2.gz FNKUSHBOYZPWHV-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001414800090 926149021 /nfs/dbraw/zinc/14/90/21/926149021.db2.gz SYUOMDDJDRZXNN-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NC(=O)CNC(N)=O)C1CC1 ZINC001414840941 926149887 /nfs/dbraw/zinc/14/98/87/926149887.db2.gz DINVQOHGYGSIJS-MNOVXSKESA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C2CC2)n1 ZINC001414879157 926150239 /nfs/dbraw/zinc/15/02/39/926150239.db2.gz GENAOLVUPBDMCP-MNOVXSKESA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)CNC(N)=O)C1CC1 ZINC001414840936 926150754 /nfs/dbraw/zinc/15/07/54/926150754.db2.gz DINVQOHGYGSIJS-GHMZBOCLSA-N 1 1 311.386 -1.240 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001414946753 926153568 /nfs/dbraw/zinc/15/35/68/926153568.db2.gz HMHUOJLLAKHQJQ-IJLUTSLNSA-N 1 1 312.370 -1.784 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001414946753 926153573 /nfs/dbraw/zinc/15/35/73/926153573.db2.gz HMHUOJLLAKHQJQ-IJLUTSLNSA-N 1 1 312.370 -1.784 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1)C1CCC1 ZINC001414933318 926153962 /nfs/dbraw/zinc/15/39/62/926153962.db2.gz DDJIBYAFBRZZJY-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132745 926163720 /nfs/dbraw/zinc/16/37/20/926163720.db2.gz ITEHFTDUAPTEMD-VHSXEESVSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132745 926163727 /nfs/dbraw/zinc/16/37/27/926163727.db2.gz ITEHFTDUAPTEMD-VHSXEESVSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001415131327 926164215 /nfs/dbraw/zinc/16/42/15/926164215.db2.gz DAFXERZHMBGBTL-MWLCHTKSSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001415131327 926164224 /nfs/dbraw/zinc/16/42/24/926164224.db2.gz DAFXERZHMBGBTL-MWLCHTKSSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415147564 926166238 /nfs/dbraw/zinc/16/62/38/926166238.db2.gz INFAOSPYNXCBDK-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001415175033 926167168 /nfs/dbraw/zinc/16/71/68/926167168.db2.gz CHYMZOGSDWCCDO-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001415175033 926167177 /nfs/dbraw/zinc/16/71/77/926167177.db2.gz CHYMZOGSDWCCDO-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001415208942 926170156 /nfs/dbraw/zinc/17/01/56/926170156.db2.gz HLGZCXRNZVYPSI-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncn(C)c1=O ZINC001415241659 926171449 /nfs/dbraw/zinc/17/14/49/926171449.db2.gz SHMHLIVMKIQLPE-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001415215866 926171757 /nfs/dbraw/zinc/17/17/57/926171757.db2.gz QWHANWMIIMHUPC-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001415215865 926171889 /nfs/dbraw/zinc/17/18/89/926171889.db2.gz QWHANWMIIMHUPC-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@H](CCNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415429331 926179814 /nfs/dbraw/zinc/17/98/14/926179814.db2.gz QEXHSKCLKDGWDM-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CCNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415429331 926179820 /nfs/dbraw/zinc/17/98/20/926179820.db2.gz QEXHSKCLKDGWDM-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415446333 926181770 /nfs/dbraw/zinc/18/17/70/926181770.db2.gz ZHDSFXWUYGINHE-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415446333 926181775 /nfs/dbraw/zinc/18/17/75/926181775.db2.gz ZHDSFXWUYGINHE-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415465578 926183346 /nfs/dbraw/zinc/18/33/46/926183346.db2.gz OAFYIKOKQDVXCX-NSHDSACASA-N 1 1 300.359 -1.972 20 0 DAADMO CC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415465578 926183351 /nfs/dbraw/zinc/18/33/51/926183351.db2.gz OAFYIKOKQDVXCX-NSHDSACASA-N 1 1 300.359 -1.972 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cnn(C)c1 ZINC001415465939 926183408 /nfs/dbraw/zinc/18/34/08/926183408.db2.gz QZZIMEGTGQPBIU-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cnn(C)c1 ZINC001415465939 926183414 /nfs/dbraw/zinc/18/34/14/926183414.db2.gz QZZIMEGTGQPBIU-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CS(C)(=O)=O ZINC001415459554 926183604 /nfs/dbraw/zinc/18/36/04/926183604.db2.gz LEQBHCBXNLBDQD-UHFFFAOYSA-N 1 1 307.416 -1.053 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccncn1 ZINC001415470540 926185073 /nfs/dbraw/zinc/18/50/73/926185073.db2.gz OBKQFINURBOISL-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccncn1 ZINC001415470540 926185082 /nfs/dbraw/zinc/18/50/82/926185082.db2.gz OBKQFINURBOISL-LBPRGKRZSA-N 1 1 307.354 -1.005 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001415500199 926187869 /nfs/dbraw/zinc/18/78/69/926187869.db2.gz DYPKXWUAFWMOFE-JTQLQIEISA-N 1 1 308.342 -1.552 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001415500202 926188237 /nfs/dbraw/zinc/18/82/37/926188237.db2.gz DYPKXWUAFWMOFE-SNVBAGLBSA-N 1 1 308.342 -1.552 20 0 DAADMO CN(CCNC(=O)c1cnn(C)n1)C(=O)CC[NH+]1CCOCC1 ZINC001415559109 926192784 /nfs/dbraw/zinc/19/27/84/926192784.db2.gz RPUSMPDOUFBISF-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415573476 926193348 /nfs/dbraw/zinc/19/33/48/926193348.db2.gz MKMOMESAODPAFT-QWRGUYRKSA-N 1 1 311.386 -1.464 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001415674394 926201091 /nfs/dbraw/zinc/20/10/91/926201091.db2.gz XZQNKMKUJMRQHQ-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cn1cnnc1CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001415817828 926206055 /nfs/dbraw/zinc/20/60/55/926206055.db2.gz PBBKKLZOVPMPJO-GFCCVEGCSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1cnnc1CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001415817828 926206069 /nfs/dbraw/zinc/20/60/69/926206069.db2.gz PBBKKLZOVPMPJO-GFCCVEGCSA-N 1 1 308.386 -1.210 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001415970343 926209747 /nfs/dbraw/zinc/20/97/47/926209747.db2.gz PWCSYCIIUNBSMN-JOYOIKCWSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001415970343 926209760 /nfs/dbraw/zinc/20/97/60/926209760.db2.gz PWCSYCIIUNBSMN-JOYOIKCWSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001415980055 926211407 /nfs/dbraw/zinc/21/14/07/926211407.db2.gz DKMGRCZAQTWLFR-SNVBAGLBSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001415980051 926212047 /nfs/dbraw/zinc/21/20/47/926212047.db2.gz DKMGRCZAQTWLFR-JTQLQIEISA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@H](CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415991526 926214318 /nfs/dbraw/zinc/21/43/18/926214318.db2.gz FQNMHMBRFUBRMI-MWLCHTKSSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001415997926 926216161 /nfs/dbraw/zinc/21/61/61/926216161.db2.gz YLHUYCONXDORIX-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001416034911 926221363 /nfs/dbraw/zinc/22/13/63/926221363.db2.gz FVSONKBKFCOWPW-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001416089678 926226469 /nfs/dbraw/zinc/22/64/69/926226469.db2.gz FDAJTKTUOHJWJE-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001416140679 926232574 /nfs/dbraw/zinc/23/25/74/926232574.db2.gz ZNNAABGJSOKNNQ-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001416726863 926251173 /nfs/dbraw/zinc/25/11/73/926251173.db2.gz HAYXDGQSEFGCRE-LBPRGKRZSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001416733308 926254121 /nfs/dbraw/zinc/25/41/21/926254121.db2.gz FOFIUJJHFKEUQR-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001416736943 926257199 /nfs/dbraw/zinc/25/71/99/926257199.db2.gz BUIAAEJUOGLRIN-JQWIXIFHSA-N 1 1 309.370 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnco2)C1 ZINC001416738708 926257740 /nfs/dbraw/zinc/25/77/40/926257740.db2.gz NESQVFGQGSQRPF-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cnco2)C1 ZINC001416738708 926257745 /nfs/dbraw/zinc/25/77/45/926257745.db2.gz NESQVFGQGSQRPF-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001416741250 926258374 /nfs/dbraw/zinc/25/83/74/926258374.db2.gz LMTYEDQFFRBXTA-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001416740421 926258610 /nfs/dbraw/zinc/25/86/10/926258610.db2.gz KIPAWYMSXCHDNL-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001416740377 926258645 /nfs/dbraw/zinc/25/86/45/926258645.db2.gz JWBGIYHHBVWDRI-MWLCHTKSSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001416741219 926259154 /nfs/dbraw/zinc/25/91/54/926259154.db2.gz LJTZFZXDBGIZSP-RYUDHWBXSA-N 1 1 313.398 -1.021 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001416741161 926259297 /nfs/dbraw/zinc/25/92/97/926259297.db2.gz LBIMEBBWAJIDSD-NXEZZACHSA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416742243 926259450 /nfs/dbraw/zinc/25/94/50/926259450.db2.gz ZSHQVDUYVGDOEB-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416742243 926259458 /nfs/dbraw/zinc/25/94/58/926259458.db2.gz ZSHQVDUYVGDOEB-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001416741252 926259692 /nfs/dbraw/zinc/25/96/92/926259692.db2.gz LMTYEDQFFRBXTA-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001416742718 926260796 /nfs/dbraw/zinc/26/07/96/926260796.db2.gz NSQFKKRQPUNUOV-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001416747168 926262909 /nfs/dbraw/zinc/26/29/09/926262909.db2.gz ZVUXQOZXSJFWFK-GXSJLCMTSA-N 1 1 324.385 -1.697 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001416761598 926266733 /nfs/dbraw/zinc/26/67/33/926266733.db2.gz OUWSANMZDCXZMG-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761598 926266743 /nfs/dbraw/zinc/26/67/43/926266743.db2.gz OUWSANMZDCXZMG-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001416761598 926266748 /nfs/dbraw/zinc/26/67/48/926266748.db2.gz OUWSANMZDCXZMG-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761598 926266756 /nfs/dbraw/zinc/26/67/56/926266756.db2.gz OUWSANMZDCXZMG-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001416761598 926266767 /nfs/dbraw/zinc/26/67/67/926266767.db2.gz OUWSANMZDCXZMG-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cncn1C ZINC001416760683 926267393 /nfs/dbraw/zinc/26/73/93/926267393.db2.gz WQIMQEQIZQVFMT-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2nccn2)C1 ZINC001416758077 926267856 /nfs/dbraw/zinc/26/78/56/926267856.db2.gz LRAXZJIEGSXIOS-WDEREUQCSA-N 1 1 310.358 -2.177 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001416759567 926268256 /nfs/dbraw/zinc/26/82/56/926268256.db2.gz QVWUIIAQLHHGQT-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2cncn2)CC[N@H+]1C ZINC001416765191 926268896 /nfs/dbraw/zinc/26/88/96/926268896.db2.gz QJQDVEWWPGAPED-IJLUTSLNSA-N 1 1 324.385 -1.788 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001416766882 926269247 /nfs/dbraw/zinc/26/92/47/926269247.db2.gz ANVSUXCYQULZNB-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771826 926271536 /nfs/dbraw/zinc/27/15/36/926271536.db2.gz RUTIIPFWHLVTCN-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771826 926271542 /nfs/dbraw/zinc/27/15/42/926271542.db2.gz RUTIIPFWHLVTCN-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771826 926271553 /nfs/dbraw/zinc/27/15/53/926271553.db2.gz RUTIIPFWHLVTCN-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783465 926275460 /nfs/dbraw/zinc/27/54/60/926275460.db2.gz XGQUQRHBQLHCDF-OLZOCXBDSA-N 1 1 314.430 -1.127 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416815350 926277689 /nfs/dbraw/zinc/27/76/89/926277689.db2.gz BIOPRSSVBLHCAS-NXEZZACHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416814516 926278275 /nfs/dbraw/zinc/27/82/75/926278275.db2.gz UNHJTTHIOZJTMP-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001416828894 926279411 /nfs/dbraw/zinc/27/94/11/926279411.db2.gz WYQHLZJUQBHOMG-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001416828894 926279424 /nfs/dbraw/zinc/27/94/24/926279424.db2.gz WYQHLZJUQBHOMG-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001416828893 926279557 /nfs/dbraw/zinc/27/95/57/926279557.db2.gz WYQHLZJUQBHOMG-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001416828893 926279567 /nfs/dbraw/zinc/27/95/67/926279567.db2.gz WYQHLZJUQBHOMG-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001416822043 926279582 /nfs/dbraw/zinc/27/95/82/926279582.db2.gz XQNBIQRPKGGZPF-SNVBAGLBSA-N 1 1 312.374 -1.055 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001416816385 926279630 /nfs/dbraw/zinc/27/96/30/926279630.db2.gz POIHYSFMMOROKF-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001416861362 926282829 /nfs/dbraw/zinc/28/28/29/926282829.db2.gz CNPBHWKWNBTDAR-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001416861362 926282839 /nfs/dbraw/zinc/28/28/39/926282839.db2.gz CNPBHWKWNBTDAR-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001416861361 926283210 /nfs/dbraw/zinc/28/32/10/926283210.db2.gz CNPBHWKWNBTDAR-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001416861361 926283217 /nfs/dbraw/zinc/28/32/17/926283217.db2.gz CNPBHWKWNBTDAR-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001416891754 926285500 /nfs/dbraw/zinc/28/55/00/926285500.db2.gz OCQYKOMKWCNYPA-ONGXEEELSA-N 1 1 324.385 -1.393 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001416891754 926285508 /nfs/dbraw/zinc/28/55/08/926285508.db2.gz OCQYKOMKWCNYPA-ONGXEEELSA-N 1 1 324.385 -1.393 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001417117379 926301029 /nfs/dbraw/zinc/30/10/29/926301029.db2.gz NQWLBJOAVYZNAA-NSHDSACASA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001417117379 926301037 /nfs/dbraw/zinc/30/10/37/926301037.db2.gz NQWLBJOAVYZNAA-NSHDSACASA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001417116712 926301313 /nfs/dbraw/zinc/30/13/13/926301313.db2.gz IQCHGXKYWGEERT-SECBINFHSA-N 1 1 313.358 -2.250 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001417116712 926301317 /nfs/dbraw/zinc/30/13/17/926301317.db2.gz IQCHGXKYWGEERT-SECBINFHSA-N 1 1 313.358 -2.250 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001417145271 926302725 /nfs/dbraw/zinc/30/27/25/926302725.db2.gz RKJNIDDFABMOAP-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001417132479 926302855 /nfs/dbraw/zinc/30/28/55/926302855.db2.gz VKBRWWGKCZOGNG-ZJUUUORDSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001417138668 926303284 /nfs/dbraw/zinc/30/32/84/926303284.db2.gz QEXBHOXFZVEQCE-QWRGUYRKSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)Cn3ncnn3)CC2)C1 ZINC001417145270 926303378 /nfs/dbraw/zinc/30/33/78/926303378.db2.gz RKJNIDDFABMOAP-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC001417181641 926305267 /nfs/dbraw/zinc/30/52/67/926305267.db2.gz KYTSPBCAWATVHU-WDEREUQCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)CCn2cnnn2)CC1 ZINC001417191796 926306195 /nfs/dbraw/zinc/30/61/95/926306195.db2.gz SZQRSSLPOXLAPN-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001417252376 926309682 /nfs/dbraw/zinc/30/96/82/926309682.db2.gz OWHAYEUFJHMTNU-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CO)NC(N)=O)C1 ZINC001417600701 926319812 /nfs/dbraw/zinc/31/98/12/926319812.db2.gz ZWOFMFSUYWWTBN-GHMZBOCLSA-N 1 1 302.375 -1.511 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCc1c[nH+]c(N(C)C)n1C)C(N)=O ZINC001417637075 926322601 /nfs/dbraw/zinc/32/26/01/926322601.db2.gz HZCYFAHNTIVSHH-JTQLQIEISA-N 1 1 310.358 -1.518 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO)C(N)=O ZINC001417742358 926333704 /nfs/dbraw/zinc/33/37/04/926333704.db2.gz QARCRLXOFPNCAQ-QWRGUYRKSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001417751669 926334462 /nfs/dbraw/zinc/33/44/62/926334462.db2.gz YBBVHLGTYLBOND-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCO ZINC001417750969 926335762 /nfs/dbraw/zinc/33/57/62/926335762.db2.gz YJJYTCHSVBAVPW-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001417750969 926335768 /nfs/dbraw/zinc/33/57/68/926335768.db2.gz YJJYTCHSVBAVPW-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001417783913 926337033 /nfs/dbraw/zinc/33/70/33/926337033.db2.gz YVCDZMPGOBHFFR-FBIMIBRVSA-N 1 1 309.374 -1.281 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001417775481 926337433 /nfs/dbraw/zinc/33/74/33/926337433.db2.gz ROGVAHODCBYZNO-NEPJUHHUSA-N 1 1 312.370 -2.094 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001417791254 926337845 /nfs/dbraw/zinc/33/78/45/926337845.db2.gz JJXKXSVIJVDUHK-BHDSKKPTSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCCO2)n1 ZINC001417821238 926338944 /nfs/dbraw/zinc/33/89/44/926338944.db2.gz YPBVOSPVWGPMKV-SNVBAGLBSA-N 1 1 323.353 -1.058 20 0 DAADMO CO[C@H](C)C(=O)NCc1nc(C[NH2+][C@@H](C)C(N)=O)cc(=O)[nH]1 ZINC001417820838 926339528 /nfs/dbraw/zinc/33/95/28/926339528.db2.gz XGSMFEIXTNWVDV-JGVFFNPUSA-N 1 1 311.342 -1.203 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417855067 926339889 /nfs/dbraw/zinc/33/98/89/926339889.db2.gz JHZYMQSANRZMQH-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001417855067 926339898 /nfs/dbraw/zinc/33/98/98/926339898.db2.gz JHZYMQSANRZMQH-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1CC(=O)NC(N)=O ZINC001417849388 926340335 /nfs/dbraw/zinc/34/03/35/926340335.db2.gz LCDMXZRQIJYBQL-OUAUKWLOSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001417848917 926340485 /nfs/dbraw/zinc/34/04/85/926340485.db2.gz JGPLAFCFDGNGLF-USWWRNFRSA-N 1 1 323.397 -1.227 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001417829939 926341038 /nfs/dbraw/zinc/34/10/38/926341038.db2.gz KJVNHJQARLCPPN-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001417829939 926341044 /nfs/dbraw/zinc/34/10/44/926341044.db2.gz KJVNHJQARLCPPN-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001417859230 926341599 /nfs/dbraw/zinc/34/15/99/926341599.db2.gz VNXNDZPFYVVZAH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001417859230 926341605 /nfs/dbraw/zinc/34/16/05/926341605.db2.gz VNXNDZPFYVVZAH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417832673 926341631 /nfs/dbraw/zinc/34/16/31/926341631.db2.gz HVNLDQZAPYPMIA-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417832673 926341642 /nfs/dbraw/zinc/34/16/42/926341642.db2.gz HVNLDQZAPYPMIA-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001417848915 926341716 /nfs/dbraw/zinc/34/17/16/926341716.db2.gz JGPLAFCFDGNGLF-ADEWGFFLSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417909062 926346472 /nfs/dbraw/zinc/34/64/72/926346472.db2.gz PJQAPKVCWRAZTG-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417909062 926346476 /nfs/dbraw/zinc/34/64/76/926346476.db2.gz PJQAPKVCWRAZTG-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO Cc1nc(CC(=O)NCCN2CC[NH+](C[C@@H](C)O)CC2)n[nH]1 ZINC001417918187 926346652 /nfs/dbraw/zinc/34/66/52/926346652.db2.gz OMJXXRMMAFNHQZ-LLVKDONJSA-N 1 1 310.402 -1.230 20 0 DAADMO CC(=O)NCC[NH+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC001417915452 926346947 /nfs/dbraw/zinc/34/69/47/926346947.db2.gz SFHWZNHHAUIGKL-UHFFFAOYSA-N 1 1 323.397 -1.662 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001417906744 926347232 /nfs/dbraw/zinc/34/72/32/926347232.db2.gz XHRCFZGJPWLRDH-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001417906744 926347236 /nfs/dbraw/zinc/34/72/36/926347236.db2.gz XHRCFZGJPWLRDH-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417913199 926347378 /nfs/dbraw/zinc/34/73/78/926347378.db2.gz GXMYJBPQHSXODF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417913199 926347384 /nfs/dbraw/zinc/34/73/84/926347384.db2.gz GXMYJBPQHSXODF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001417939576 926352749 /nfs/dbraw/zinc/35/27/49/926352749.db2.gz HKPIWBFVRZVUOY-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001417939394 926353988 /nfs/dbraw/zinc/35/39/88/926353988.db2.gz FZYOOTCRWLQSQD-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001417964500 926354899 /nfs/dbraw/zinc/35/48/99/926354899.db2.gz HDMUMHVESGEYSF-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)n1 ZINC001417977449 926355940 /nfs/dbraw/zinc/35/59/40/926355940.db2.gz HJJBNVUUBXGAHG-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001418021499 926357181 /nfs/dbraw/zinc/35/71/81/926357181.db2.gz TWHJBIDBYCLAHV-WCQYABFASA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)COC)C2)n1 ZINC001418046568 926359856 /nfs/dbraw/zinc/35/98/56/926359856.db2.gz CQXJRXOCZUUIKF-KYZUINATSA-N 1 1 311.342 -1.259 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001418030898 926359918 /nfs/dbraw/zinc/35/99/18/926359918.db2.gz GJQOJSDMSZMCSP-CYBMUJFWSA-N 1 1 312.414 -1.419 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001418091873 926362641 /nfs/dbraw/zinc/36/26/41/926362641.db2.gz CKTFKJVKXLDQJO-AOOOYVTPSA-N 1 1 311.342 -1.089 20 0 DAADMO C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001418099267 926364430 /nfs/dbraw/zinc/36/44/30/926364430.db2.gz QLQHUAGRCFWYEZ-XHNCKOQMSA-N 1 1 310.362 -1.606 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001418119265 926365525 /nfs/dbraw/zinc/36/55/25/926365525.db2.gz BDPVTTGDQPCGLH-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)CC1=O ZINC001418124538 926365581 /nfs/dbraw/zinc/36/55/81/926365581.db2.gz JKXQJIYVRQYREG-CYBMUJFWSA-N 1 1 312.414 -1.419 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418123400 926365666 /nfs/dbraw/zinc/36/56/66/926365666.db2.gz IWWVVMMNYKNXPI-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001418118432 926365684 /nfs/dbraw/zinc/36/56/84/926365684.db2.gz FXGGIAHWMDRBJD-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001418121625 926366606 /nfs/dbraw/zinc/36/66/06/926366606.db2.gz ULHOOHJPPDWNAJ-NWDGAFQWSA-N 1 1 316.402 -1.249 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001418112374 926367034 /nfs/dbraw/zinc/36/70/34/926367034.db2.gz RMWMRIGXJCPFCV-PHIMTYICSA-N 1 1 319.373 -1.292 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001418180977 926371010 /nfs/dbraw/zinc/37/10/10/926371010.db2.gz IVNXOHIGDYVSST-OBPIAQAESA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204548 926371042 /nfs/dbraw/zinc/37/10/42/926371042.db2.gz BCOAGILTWFDKOE-PWSUYJOCSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204548 926371050 /nfs/dbraw/zinc/37/10/50/926371050.db2.gz BCOAGILTWFDKOE-PWSUYJOCSA-N 1 1 323.401 -1.067 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CO1 ZINC001418180548 926371137 /nfs/dbraw/zinc/37/11/37/926371137.db2.gz SDEMMBRDJPXDSF-XPORZQOISA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CO1 ZINC001418180548 926371143 /nfs/dbraw/zinc/37/11/43/926371143.db2.gz SDEMMBRDJPXDSF-XPORZQOISA-N 1 1 324.381 -1.087 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)CC1=O ZINC001418232268 926374775 /nfs/dbraw/zinc/37/47/75/926374775.db2.gz HMAPEOOKTRNJLG-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1nnnn1C ZINC001418232657 926374860 /nfs/dbraw/zinc/37/48/60/926374860.db2.gz ABFPOUTWEKYWOU-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)CC1=O ZINC001418232267 926375119 /nfs/dbraw/zinc/37/51/19/926375119.db2.gz HMAPEOOKTRNJLG-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nncn1C ZINC001418252880 926376349 /nfs/dbraw/zinc/37/63/49/926376349.db2.gz PDEYQJIZXRPEKS-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418336063 926383496 /nfs/dbraw/zinc/38/34/96/926383496.db2.gz OCXJSXDJNXLKMB-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001418329326 926383525 /nfs/dbraw/zinc/38/35/25/926383525.db2.gz QNXWBODFIARLFF-RAIGVLPGSA-N 1 1 307.354 -1.135 20 0 DAADMO O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001418329326 926383530 /nfs/dbraw/zinc/38/35/30/926383530.db2.gz QNXWBODFIARLFF-RAIGVLPGSA-N 1 1 307.354 -1.135 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418336066 926383892 /nfs/dbraw/zinc/38/38/92/926383892.db2.gz OCXJSXDJNXLKMB-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418336060 926383950 /nfs/dbraw/zinc/38/39/50/926383950.db2.gz OCXJSXDJNXLKMB-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418360843 926385188 /nfs/dbraw/zinc/38/51/88/926385188.db2.gz WYLCQHZBCMYQRP-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001418373226 926386255 /nfs/dbraw/zinc/38/62/55/926386255.db2.gz JXCNVYLNZGUBEM-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001418376166 926386315 /nfs/dbraw/zinc/38/63/15/926386315.db2.gz PBIJSVREYOPZCR-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001418376166 926386322 /nfs/dbraw/zinc/38/63/22/926386322.db2.gz PBIJSVREYOPZCR-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](C(=O)Nc1ccc(=O)n(CC(N)=O)c1)N1CC[NH+](C)CC1 ZINC001418368679 926387013 /nfs/dbraw/zinc/38/70/13/926387013.db2.gz XOOKUBBJBNLSBI-LLVKDONJSA-N 1 1 321.381 -1.092 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CCNC(=O)CN2CCNC(=O)C2)o1 ZINC001418413807 926388170 /nfs/dbraw/zinc/38/81/70/926388170.db2.gz QQGOBCTUFZSWBJ-SNVBAGLBSA-N 1 1 324.385 -1.206 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1cnc[nH]1 ZINC001418417102 926388947 /nfs/dbraw/zinc/38/89/47/926388947.db2.gz IPOWOLUVZCTBOG-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001418463957 926390129 /nfs/dbraw/zinc/39/01/29/926390129.db2.gz RXXOWSZLSSBLEB-NSHDSACASA-N 1 1 312.370 -1.370 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCNS(C)(=O)=O ZINC001418449524 926390505 /nfs/dbraw/zinc/39/05/05/926390505.db2.gz XFTQRESLXZCECW-NSHDSACASA-N 1 1 322.431 -2.086 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCNS(C)(=O)=O ZINC001418449524 926390516 /nfs/dbraw/zinc/39/05/16/926390516.db2.gz XFTQRESLXZCECW-NSHDSACASA-N 1 1 322.431 -2.086 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001418448383 926391020 /nfs/dbraw/zinc/39/10/20/926391020.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001418448383 926391031 /nfs/dbraw/zinc/39/10/31/926391031.db2.gz MXLSASUDLOPATI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+](CCNC(=O)c1cn(C2CCC2)nn1)CC(=O)NC(N)=O ZINC001418462923 926391548 /nfs/dbraw/zinc/39/15/48/926391548.db2.gz XPCDISRULLZNNN-UHFFFAOYSA-N 1 1 323.357 -1.140 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(C2CCC2)nn1)CC(=O)NC(N)=O ZINC001418462923 926391554 /nfs/dbraw/zinc/39/15/54/926391554.db2.gz XPCDISRULLZNNN-UHFFFAOYSA-N 1 1 323.357 -1.140 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001418463193 926391765 /nfs/dbraw/zinc/39/17/65/926391765.db2.gz NYGJDSBLZAENEA-JTQLQIEISA-N 1 1 320.415 -1.602 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001418463193 926391770 /nfs/dbraw/zinc/39/17/70/926391770.db2.gz NYGJDSBLZAENEA-JTQLQIEISA-N 1 1 320.415 -1.602 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001418469438 926392872 /nfs/dbraw/zinc/39/28/72/926392872.db2.gz GGBQLHZIZNBYFE-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001418469438 926392880 /nfs/dbraw/zinc/39/28/80/926392880.db2.gz GGBQLHZIZNBYFE-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001418469440 926393605 /nfs/dbraw/zinc/39/36/05/926393605.db2.gz GGBQLHZIZNBYFE-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001418469440 926393612 /nfs/dbraw/zinc/39/36/12/926393612.db2.gz GGBQLHZIZNBYFE-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001418466074 926393954 /nfs/dbraw/zinc/39/39/54/926393954.db2.gz MTCSWKYDOVZBNJ-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001418466074 926393965 /nfs/dbraw/zinc/39/39/65/926393965.db2.gz MTCSWKYDOVZBNJ-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCNC1=O ZINC001418481769 926394455 /nfs/dbraw/zinc/39/44/55/926394455.db2.gz JQMMKLJMQJJENZ-ZDEQEGDKSA-N 1 1 311.382 -1.026 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCNC1=O ZINC001418481769 926394463 /nfs/dbraw/zinc/39/44/63/926394463.db2.gz JQMMKLJMQJJENZ-ZDEQEGDKSA-N 1 1 311.382 -1.026 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485330 926394579 /nfs/dbraw/zinc/39/45/79/926394579.db2.gz AAUVBCQXMHLRTQ-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418485330 926394589 /nfs/dbraw/zinc/39/45/89/926394589.db2.gz AAUVBCQXMHLRTQ-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n1CCOC2)[C@@H]1CCNC1=O ZINC001418471413 926394687 /nfs/dbraw/zinc/39/46/87/926394687.db2.gz SVQOMKBFNFOZHL-SNVBAGLBSA-N 1 1 307.354 -1.037 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n1CCOC2)[C@@H]1CCNC1=O ZINC001418471413 926394699 /nfs/dbraw/zinc/39/46/99/926394699.db2.gz SVQOMKBFNFOZHL-SNVBAGLBSA-N 1 1 307.354 -1.037 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001418502962 926395886 /nfs/dbraw/zinc/39/58/86/926395886.db2.gz UHUSDMJUUFMYIT-NEPJUHHUSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001418490302 926396593 /nfs/dbraw/zinc/39/65/93/926396593.db2.gz YWQUXTKJHMUWOI-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@]1(F)CCOC1 ZINC001418490302 926396600 /nfs/dbraw/zinc/39/66/00/926396600.db2.gz YWQUXTKJHMUWOI-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO CC[C@@H](C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1)OC ZINC001418486046 926396645 /nfs/dbraw/zinc/39/66/45/926396645.db2.gz CXCPHXCPONYXAF-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001418502977 926397167 /nfs/dbraw/zinc/39/71/67/926397167.db2.gz UHUSDMJUUFMYIT-VXGBXAGGSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)CCn1cnnn1 ZINC001418507463 926398279 /nfs/dbraw/zinc/39/82/79/926398279.db2.gz VJBORSITGRWLQF-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)CCn1cnnn1 ZINC001418507463 926398284 /nfs/dbraw/zinc/39/82/84/926398284.db2.gz VJBORSITGRWLQF-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CCn1cc(CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001418513096 926398351 /nfs/dbraw/zinc/39/83/51/926398351.db2.gz NPTBMAFQSGCAKS-UHFFFAOYSA-N 1 1 310.358 -1.312 20 0 DAADMO CCn1cc(CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001418513096 926398355 /nfs/dbraw/zinc/39/83/55/926398355.db2.gz NPTBMAFQSGCAKS-UHFFFAOYSA-N 1 1 310.358 -1.312 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001418518662 926399058 /nfs/dbraw/zinc/39/90/58/926399058.db2.gz GDAVCHIENIHLKI-LLVKDONJSA-N 1 1 322.369 -1.278 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)Cc2nnn(C)n2)C1 ZINC001418523614 926399098 /nfs/dbraw/zinc/39/90/98/926399098.db2.gz GIZBSOFDRDZLHC-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)Cc2nnn(C)n2)C1 ZINC001418523614 926399108 /nfs/dbraw/zinc/39/91/08/926399108.db2.gz GIZBSOFDRDZLHC-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)[C@@H]1CCNC1=O ZINC001418513612 926399685 /nfs/dbraw/zinc/39/96/85/926399685.db2.gz QCNLNAZFKWVKEB-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(N)=O)[C@@H]1CCNC1=O ZINC001418513612 926399695 /nfs/dbraw/zinc/39/96/95/926399695.db2.gz QCNLNAZFKWVKEB-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)C[C@H](O)Cn1cccn1 ZINC001418518538 926400111 /nfs/dbraw/zinc/40/01/11/926400111.db2.gz FLTOGKKWLQCZQS-LBPRGKRZSA-N 1 1 307.358 -1.416 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001418541394 926400817 /nfs/dbraw/zinc/40/08/17/926400817.db2.gz VFLBEVBOMIWOFH-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001418541394 926400822 /nfs/dbraw/zinc/40/08/22/926400822.db2.gz VFLBEVBOMIWOFH-JTQLQIEISA-N 1 1 321.399 -1.032 20 0 DAADMO C[N@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCNC1=O ZINC001418528003 926400920 /nfs/dbraw/zinc/40/09/20/926400920.db2.gz RDBHNVDTEWTOFR-VIFPVBQESA-N 1 1 309.330 -2.687 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCNC1=O ZINC001418528003 926400925 /nfs/dbraw/zinc/40/09/25/926400925.db2.gz RDBHNVDTEWTOFR-VIFPVBQESA-N 1 1 309.330 -2.687 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001418550247 926400973 /nfs/dbraw/zinc/40/09/73/926400973.db2.gz BATJUWCNUOITRH-SECBINFHSA-N 1 1 310.358 -1.531 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)CC(N)=O ZINC001418550247 926400977 /nfs/dbraw/zinc/40/09/77/926400977.db2.gz BATJUWCNUOITRH-SECBINFHSA-N 1 1 310.358 -1.531 20 0 DAADMO Cc1cnn(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001418527409 926402475 /nfs/dbraw/zinc/40/24/75/926402475.db2.gz LEAXNPSSZLBQBZ-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO Cc1cnn(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001418527409 926402479 /nfs/dbraw/zinc/40/24/79/926402479.db2.gz LEAXNPSSZLBQBZ-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418559326 926403052 /nfs/dbraw/zinc/40/30/52/926403052.db2.gz SXBYCHCJUGUDDX-VIFPVBQESA-N 1 1 307.372 -2.670 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418559326 926403057 /nfs/dbraw/zinc/40/30/57/926403057.db2.gz SXBYCHCJUGUDDX-VIFPVBQESA-N 1 1 307.372 -2.670 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@H](C)C(N)=O ZINC001418574757 926403146 /nfs/dbraw/zinc/40/31/46/926403146.db2.gz JWHOKLFNHHDTNV-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@H](C)C(N)=O ZINC001418574757 926403155 /nfs/dbraw/zinc/40/31/55/926403155.db2.gz JWHOKLFNHHDTNV-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@H+](CCNC(=O)c1c(C)cnn1C)CC(=O)NC(N)=O ZINC001418557275 926403250 /nfs/dbraw/zinc/40/32/50/926403250.db2.gz HREWTGVLZOYZFL-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c(C)cnn1C)CC(=O)NC(N)=O ZINC001418557275 926403259 /nfs/dbraw/zinc/40/32/59/926403259.db2.gz HREWTGVLZOYZFL-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C(=O)NC ZINC001418562258 926403290 /nfs/dbraw/zinc/40/32/90/926403290.db2.gz MMHAENFSMKKQOK-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H](C)C(=O)NC ZINC001418562258 926403302 /nfs/dbraw/zinc/40/33/02/926403302.db2.gz MMHAENFSMKKQOK-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@H]1CCNC1=O ZINC001418557816 926403476 /nfs/dbraw/zinc/40/34/76/926403476.db2.gz RFLNHDSOLPUEGR-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)[C@H](C)C(=O)N(C)C ZINC001418580220 926403655 /nfs/dbraw/zinc/40/36/55/926403655.db2.gz FXCQBCRZPTXSMC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@H](C)C(=O)N(C)C ZINC001418580220 926403665 /nfs/dbraw/zinc/40/36/65/926403665.db2.gz FXCQBCRZPTXSMC-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H](C)C(=O)N(C)C ZINC001418580218 926403917 /nfs/dbraw/zinc/40/39/17/926403917.db2.gz FXCQBCRZPTXSMC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H](C)C(=O)N(C)C ZINC001418580218 926403926 /nfs/dbraw/zinc/40/39/26/926403926.db2.gz FXCQBCRZPTXSMC-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](C)OC ZINC001418580822 926404114 /nfs/dbraw/zinc/40/41/14/926404114.db2.gz DXDJFAPIHKHPQC-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO CC[N@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001418570722 926404141 /nfs/dbraw/zinc/40/41/41/926404141.db2.gz KOCZKFGLZKLQRG-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO CC[N@@H+](CCNC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C(N)=O ZINC001418570722 926404149 /nfs/dbraw/zinc/40/41/49/926404149.db2.gz KOCZKFGLZKLQRG-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001418570391 926404569 /nfs/dbraw/zinc/40/45/69/926404569.db2.gz KREQKFWOMCPXPR-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCCN(C)C1=O ZINC001418567756 926404872 /nfs/dbraw/zinc/40/48/72/926404872.db2.gz PJXIEBUJILNKRJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@H]1CCCN(C)C1=O ZINC001418567760 926404966 /nfs/dbraw/zinc/40/49/66/926404966.db2.gz PJXIEBUJILNKRJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)C(=O)NC ZINC001418562257 926405226 /nfs/dbraw/zinc/40/52/26/926405226.db2.gz MMHAENFSMKKQOK-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H](C)C(=O)NC ZINC001418562257 926405234 /nfs/dbraw/zinc/40/52/34/926405234.db2.gz MMHAENFSMKKQOK-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001418592988 926406362 /nfs/dbraw/zinc/40/63/62/926406362.db2.gz IMQPRCNBLUKNPH-NSHDSACASA-N 1 1 321.385 -1.095 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001418592988 926406369 /nfs/dbraw/zinc/40/63/69/926406369.db2.gz IMQPRCNBLUKNPH-NSHDSACASA-N 1 1 321.385 -1.095 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592783 926406868 /nfs/dbraw/zinc/40/68/68/926406868.db2.gz NZWISCKKJRNTPQ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592783 926406872 /nfs/dbraw/zinc/40/68/72/926406872.db2.gz NZWISCKKJRNTPQ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001418588485 926407019 /nfs/dbraw/zinc/40/70/19/926407019.db2.gz IQJOITGABDZSTF-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@H]1CCOC1 ZINC001418582893 926407087 /nfs/dbraw/zinc/40/70/87/926407087.db2.gz VZSNMBWELIHSLC-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001418602414 926407638 /nfs/dbraw/zinc/40/76/38/926407638.db2.gz FMVYCBQXZUGMDI-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001418602414 926407644 /nfs/dbraw/zinc/40/76/44/926407644.db2.gz FMVYCBQXZUGMDI-GFCCVEGCSA-N 1 1 321.385 -1.220 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001418607121 926407886 /nfs/dbraw/zinc/40/78/86/926407886.db2.gz GJZJEEAPLODBKM-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001418607121 926407891 /nfs/dbraw/zinc/40/78/91/926407891.db2.gz GJZJEEAPLODBKM-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001418614002 926407946 /nfs/dbraw/zinc/40/79/46/926407946.db2.gz MSEULZHUPBAQCL-SNVBAGLBSA-N 1 1 308.342 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001418614002 926407951 /nfs/dbraw/zinc/40/79/51/926407951.db2.gz MSEULZHUPBAQCL-SNVBAGLBSA-N 1 1 308.342 -1.272 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CC(=O)NC(N)=O ZINC001418613033 926407975 /nfs/dbraw/zinc/40/79/75/926407975.db2.gz OXKMPVBWGLTFIZ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001418611736 926408444 /nfs/dbraw/zinc/40/84/44/926408444.db2.gz CKSFTXLWNSSZME-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604408 926408709 /nfs/dbraw/zinc/40/87/09/926408709.db2.gz DRUQOYJFSKEELA-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CS(=O)(=O)N(C)C ZINC001418604408 926408712 /nfs/dbraw/zinc/40/87/12/926408712.db2.gz DRUQOYJFSKEELA-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001418597495 926408805 /nfs/dbraw/zinc/40/88/05/926408805.db2.gz XRLOHTBAIQTZDW-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)OC ZINC001418599282 926408944 /nfs/dbraw/zinc/40/89/44/926408944.db2.gz AGMWKUOWMKOJKU-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418615229 926409890 /nfs/dbraw/zinc/40/98/90/926409890.db2.gz ZQLQAICPEAARIN-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)CC[N@H+]2CC[C@H](F)C2)C[C@H]1C(N)=O ZINC001418627279 926410215 /nfs/dbraw/zinc/41/02/15/926410215.db2.gz YYNHJEYEFJJJGZ-IVZWLZJFSA-N 1 1 300.334 -1.535 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCO)C(N)=O ZINC001418615590 926410813 /nfs/dbraw/zinc/41/08/13/926410813.db2.gz CWRFDLPFKOISJB-MNOVXSKESA-N 1 1 300.359 -2.061 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001418633238 926411041 /nfs/dbraw/zinc/41/10/41/926411041.db2.gz FVTKZWBISSBGDI-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001418633238 926411048 /nfs/dbraw/zinc/41/10/48/926411048.db2.gz FVTKZWBISSBGDI-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H]1CCC[N@@H+]1CCO ZINC001418631362 926411101 /nfs/dbraw/zinc/41/11/01/926411101.db2.gz BYWZPJIKISDQAZ-LBPRGKRZSA-N 1 1 323.397 -1.046 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1=O ZINC001418621928 926411153 /nfs/dbraw/zinc/41/11/53/926411153.db2.gz MBNCNCQNIDSSKZ-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1=O ZINC001418621928 926411160 /nfs/dbraw/zinc/41/11/60/926411160.db2.gz MBNCNCQNIDSSKZ-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001418649436 926412140 /nfs/dbraw/zinc/41/21/40/926412140.db2.gz XISCHPRLUAQEMQ-VIFPVBQESA-N 1 1 312.326 -1.492 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001418661595 926412287 /nfs/dbraw/zinc/41/22/87/926412287.db2.gz UJPNQFCKNKTSAU-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418656107 926412442 /nfs/dbraw/zinc/41/24/42/926412442.db2.gz GYRRUFCVWFGUIY-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001418663761 926412660 /nfs/dbraw/zinc/41/26/60/926412660.db2.gz YELVQSOEUHCLOJ-CYBMUJFWSA-N 1 1 314.430 -1.127 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001418653644 926412680 /nfs/dbraw/zinc/41/26/80/926412680.db2.gz HGSUQILFLGIKHA-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001418657839 926412870 /nfs/dbraw/zinc/41/28/70/926412870.db2.gz MMBPHPFIDITCFD-CMPLNLGQSA-N 1 1 320.411 -1.524 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001418636148 926412967 /nfs/dbraw/zinc/41/29/67/926412967.db2.gz IISWWXPOGAYUHR-SNVBAGLBSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001418636148 926412972 /nfs/dbraw/zinc/41/29/72/926412972.db2.gz IISWWXPOGAYUHR-SNVBAGLBSA-N 1 1 322.369 -1.262 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001418656092 926413246 /nfs/dbraw/zinc/41/32/46/926413246.db2.gz GYRRUFCVWFGUIY-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001418670090 926413912 /nfs/dbraw/zinc/41/39/12/926413912.db2.gz SSYBMYOFGWLGKZ-LLVKDONJSA-N 1 1 321.385 -1.363 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001418679627 926414091 /nfs/dbraw/zinc/41/40/91/926414091.db2.gz VXOIRDMECTWVKT-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001418674487 926414451 /nfs/dbraw/zinc/41/44/51/926414451.db2.gz MUSNMLSRKATGGI-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC001418678586 926414683 /nfs/dbraw/zinc/41/46/83/926414683.db2.gz CVVWWKLFJOIYEV-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncccn2)C1 ZINC001418678586 926414688 /nfs/dbraw/zinc/41/46/88/926414688.db2.gz CVVWWKLFJOIYEV-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001418669055 926415071 /nfs/dbraw/zinc/41/50/71/926415071.db2.gz BKHDWDYCRZHTQS-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001418687985 926415679 /nfs/dbraw/zinc/41/56/79/926415679.db2.gz QYOGMNOVSRDVTB-DCAQKATOSA-N 1 1 312.374 -1.144 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001418690769 926416124 /nfs/dbraw/zinc/41/61/24/926416124.db2.gz QSEXCBNMMVTVLU-SECBINFHSA-N 1 1 308.342 -1.415 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418687247 926416269 /nfs/dbraw/zinc/41/62/69/926416269.db2.gz RQZDQEIVAPTOGJ-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cn(C)nn1)CC(=O)NC(N)=O ZINC001418704259 926416576 /nfs/dbraw/zinc/41/65/76/926416576.db2.gz FWAMHFIAMFOJEU-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cn(C)nn1)CC(=O)NC(N)=O ZINC001418704259 926416587 /nfs/dbraw/zinc/41/65/87/926416587.db2.gz FWAMHFIAMFOJEU-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(N)=O ZINC001418709803 926416688 /nfs/dbraw/zinc/41/66/88/926416688.db2.gz LBOHZVNBPANFIR-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1COCCO1)CC(=O)NC(N)=O ZINC001418709803 926416693 /nfs/dbraw/zinc/41/66/93/926416693.db2.gz LBOHZVNBPANFIR-SNVBAGLBSA-N 1 1 316.358 -1.575 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001418687256 926416782 /nfs/dbraw/zinc/41/67/82/926416782.db2.gz RQZDQEIVAPTOGJ-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001418689075 926416950 /nfs/dbraw/zinc/41/69/50/926416950.db2.gz PVNQPXXZIYULPP-MNOVXSKESA-N 1 1 307.416 -1.255 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001418746838 926417893 /nfs/dbraw/zinc/41/78/93/926417893.db2.gz OWCNFLYQIANDQA-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1CC ZINC001418753417 926418346 /nfs/dbraw/zinc/41/83/46/926418346.db2.gz CZGXCYNQDJKVLR-GARJFASQSA-N 1 1 311.386 -1.227 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1CC ZINC001418753417 926418356 /nfs/dbraw/zinc/41/83/56/926418356.db2.gz CZGXCYNQDJKVLR-GARJFASQSA-N 1 1 311.386 -1.227 20 0 DAADMO CO[C@H](C)C(=O)NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[nH]1 ZINC001418739167 926418424 /nfs/dbraw/zinc/41/84/24/926418424.db2.gz NXIFNQRMMDTSQB-SCZZXKLOSA-N 1 1 323.353 -1.189 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC001418715475 926418730 /nfs/dbraw/zinc/41/87/30/926418730.db2.gz ZZAMIZNSLBLBSX-SECBINFHSA-N 1 1 324.341 -1.115 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC001418715475 926418732 /nfs/dbraw/zinc/41/87/32/926418732.db2.gz ZZAMIZNSLBLBSX-SECBINFHSA-N 1 1 324.341 -1.115 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001418725990 926418833 /nfs/dbraw/zinc/41/88/33/926418833.db2.gz VKLBSIDSXPVVBO-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001418725990 926418839 /nfs/dbraw/zinc/41/88/39/926418839.db2.gz VKLBSIDSXPVVBO-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001418739312 926419097 /nfs/dbraw/zinc/41/90/97/926419097.db2.gz ANGOKPZNJYZNEJ-LOWDOPEQSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C1CC1 ZINC001418766265 926420914 /nfs/dbraw/zinc/42/09/14/926420914.db2.gz GHGYCACYRBBHBU-SECBINFHSA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C1CC1 ZINC001418766265 926420919 /nfs/dbraw/zinc/42/09/19/926420919.db2.gz GHGYCACYRBBHBU-SECBINFHSA-N 1 1 322.369 -1.388 20 0 DAADMO O=C(NCC[N@H+](CCO)C1CC1)C1(n2cnnn2)CCOCC1 ZINC001418790149 926421628 /nfs/dbraw/zinc/42/16/28/926421628.db2.gz SWVIATLEXHNSNY-UHFFFAOYSA-N 1 1 324.385 -1.248 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)[C@@H]1C ZINC001418777971 926421760 /nfs/dbraw/zinc/42/17/60/926421760.db2.gz WJMJIOQKQVNDAF-KOLCDFICSA-N 1 1 320.415 -1.749 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)[C@@H]1C ZINC001418777971 926421771 /nfs/dbraw/zinc/42/17/71/926421771.db2.gz WJMJIOQKQVNDAF-KOLCDFICSA-N 1 1 320.415 -1.749 20 0 DAADMO CN1CCC[C@@H]([N@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777484 926421913 /nfs/dbraw/zinc/42/19/13/926421913.db2.gz LHTPHHYAKRVJTM-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777484 926421921 /nfs/dbraw/zinc/42/19/21/926421921.db2.gz LHTPHHYAKRVJTM-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(Cn1cncn1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001418792190 926422906 /nfs/dbraw/zinc/42/29/06/926422906.db2.gz LNFDNXDJJOUVFD-ZDUSSCGKSA-N 1 1 311.386 -1.054 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418772211 926422987 /nfs/dbraw/zinc/42/29/87/926422987.db2.gz BMUDGKIYUYQAQP-GHMZBOCLSA-N 1 1 312.374 -1.510 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)Cn1ncn(C)c1=O)c1nncn1C ZINC001418819808 926423634 /nfs/dbraw/zinc/42/36/34/926423634.db2.gz FSENMAXNKFJONI-SNVBAGLBSA-N 1 1 322.373 -1.481 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CCc1cnc[nH]1)C(=O)NC(N)=O ZINC001418804619 926423653 /nfs/dbraw/zinc/42/36/53/926423653.db2.gz BJAGPBKUHUVJTG-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001418848555 926426268 /nfs/dbraw/zinc/42/62/68/926426268.db2.gz IPOUJYZNXDIWOJ-MMWGEVLESA-N 1 1 309.370 -1.393 20 0 DAADMO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)NC(N)=O ZINC001418851889 926426382 /nfs/dbraw/zinc/42/63/82/926426382.db2.gz ZXBGYANHPPGKHC-NNYUYHANSA-N 1 1 323.397 -1.003 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001418850376 926426711 /nfs/dbraw/zinc/42/67/11/926426711.db2.gz PSVOYOGEZASTIG-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CCC(=O)N1)c1nnnn1C ZINC001418834142 926427211 /nfs/dbraw/zinc/42/72/11/926427211.db2.gz RNSZEQAIFLLARG-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO CCCN(C(=O)CNS(=O)(=O)NC)[C@H]1CC[N@@H+](CCO)C1 ZINC001418869853 926427918 /nfs/dbraw/zinc/42/79/18/926427918.db2.gz RRWICHRDQFETSR-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccccc1 ZINC001418856340 926427939 /nfs/dbraw/zinc/42/79/39/926427939.db2.gz LWGXSQWYDWBHHU-NWDGAFQWSA-N 1 1 319.365 -1.139 20 0 DAADMO C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)NC(N)=O ZINC001418851899 926428013 /nfs/dbraw/zinc/42/80/13/926428013.db2.gz ZXBGYANHPPGKHC-YFKTTZPYSA-N 1 1 323.397 -1.003 20 0 DAADMO Nc1nnnn1-c1cccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC001418873810 926428179 /nfs/dbraw/zinc/42/81/79/926428179.db2.gz YNOFJMPCLCOGJD-GFCCVEGCSA-N 1 1 317.353 -1.129 20 0 DAADMO CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001418885080 926428528 /nfs/dbraw/zinc/42/85/28/926428528.db2.gz YKXSOVAJYIZFSQ-JTQLQIEISA-N 1 1 313.358 -1.854 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001418898635 926428799 /nfs/dbraw/zinc/42/87/99/926428799.db2.gz HCQZXEJUPRBTRK-GHMZBOCLSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)NC(N)=O ZINC001418851896 926429062 /nfs/dbraw/zinc/42/90/62/926429062.db2.gz ZXBGYANHPPGKHC-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001418871862 926429218 /nfs/dbraw/zinc/42/92/18/926429218.db2.gz LHIALNCFFFEGLF-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001418898639 926429254 /nfs/dbraw/zinc/42/92/54/926429254.db2.gz HCQZXEJUPRBTRK-QWRGUYRKSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001418907355 926430586 /nfs/dbraw/zinc/43/05/86/926430586.db2.gz MHDTVGPQYVSQOK-LLVKDONJSA-N 1 1 324.381 -1.482 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001418899851 926431057 /nfs/dbraw/zinc/43/10/57/926431057.db2.gz HXQRWQFPJQODQD-DCQANWLSSA-N 1 1 324.381 -1.098 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001418951875 926431937 /nfs/dbraw/zinc/43/19/37/926431937.db2.gz AKQWGFBOLGMWDB-LBPRGKRZSA-N 1 1 321.399 -2.121 20 0 DAADMO CCCCS(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001418952039 926432174 /nfs/dbraw/zinc/43/21/74/926432174.db2.gz DEFDCJONKFOXEE-GFCCVEGCSA-N 1 1 308.400 -1.332 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001418927749 926432320 /nfs/dbraw/zinc/43/23/20/926432320.db2.gz CXXKQXNKSRDGFY-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(Cn1ncc2cccnc21)NC[C@]1(CO)COCC[NH2+]1 ZINC001418952488 926432699 /nfs/dbraw/zinc/43/26/99/926432699.db2.gz GNHCMYLSZNJLAW-AWEZNQCLSA-N 1 1 305.338 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001418953232 926432749 /nfs/dbraw/zinc/43/27/49/926432749.db2.gz JHIYNMYHIBMKQV-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001418953232 926432756 /nfs/dbraw/zinc/43/27/56/926432756.db2.gz JHIYNMYHIBMKQV-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001418927768 926432842 /nfs/dbraw/zinc/43/28/42/926432842.db2.gz CXXKQXNKSRDGFY-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001418930892 926433007 /nfs/dbraw/zinc/43/30/07/926433007.db2.gz METTTYXTNZMFPP-SNVBAGLBSA-N 1 1 310.358 -2.153 20 0 DAADMO COC1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CS(=O)(=O)C1 ZINC001418951979 926433270 /nfs/dbraw/zinc/43/32/70/926433270.db2.gz BOFWESZWZLVLMA-JTQLQIEISA-N 1 1 308.356 -2.733 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)COC)C1 ZINC001418932832 926433372 /nfs/dbraw/zinc/43/33/72/926433372.db2.gz QANISLRKUUBPAU-RYUDHWBXSA-N 1 1 316.402 -1.297 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001418934079 926433504 /nfs/dbraw/zinc/43/35/04/926433504.db2.gz AMCTYEPAPACAFP-NEPJUHHUSA-N 1 1 321.385 -1.260 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001418958547 926434250 /nfs/dbraw/zinc/43/42/50/926434250.db2.gz KPISXUIGDKUHGE-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001418958547 926434258 /nfs/dbraw/zinc/43/42/58/926434258.db2.gz KPISXUIGDKUHGE-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001418981672 926437698 /nfs/dbraw/zinc/43/76/98/926437698.db2.gz IVZIZTRQPUAISH-JTQLQIEISA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001418974996 926437958 /nfs/dbraw/zinc/43/79/58/926437958.db2.gz NFFCNJDXRKCGLD-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO COC(=O)NCC(=O)NCC1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001419009701 926441966 /nfs/dbraw/zinc/44/19/66/926441966.db2.gz MEQHOXXPENZDDQ-SECBINFHSA-N 1 1 300.359 -1.133 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419009655 926442218 /nfs/dbraw/zinc/44/22/18/926442218.db2.gz MASYNEYZVWEXCL-GFCCVEGCSA-N 1 1 308.382 -1.161 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CC(=O)NC(=O)NC3CC3)C2)C1 ZINC001418999382 926442233 /nfs/dbraw/zinc/44/22/33/926442233.db2.gz LNBNOEGEAJSXFP-SNVBAGLBSA-N 1 1 323.397 -1.273 20 0 DAADMO CCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001419020003 926444591 /nfs/dbraw/zinc/44/45/91/926444591.db2.gz KRMFYXTYKFPWDO-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001419020670 926444773 /nfs/dbraw/zinc/44/47/73/926444773.db2.gz NHYMEXIHUYPNMY-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(CN1CCOCC1=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001419022665 926445887 /nfs/dbraw/zinc/44/58/87/926445887.db2.gz LXBNMQLELBRKOJ-GFCCVEGCSA-N 1 1 324.381 -1.828 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037131 926447373 /nfs/dbraw/zinc/44/73/73/926447373.db2.gz FHXVIURMGWRDIY-LLVKDONJSA-N 1 1 311.386 -1.558 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419038425 926447912 /nfs/dbraw/zinc/44/79/12/926447912.db2.gz UIXFGRPXCIZCLA-GFCCVEGCSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001419050541 926449564 /nfs/dbraw/zinc/44/95/64/926449564.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 1 1 313.398 -1.391 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001419050541 926449573 /nfs/dbraw/zinc/44/95/73/926449573.db2.gz PTJBNBTWSCSMFT-XUXIUFHCSA-N 1 1 313.398 -1.391 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419062954 926450972 /nfs/dbraw/zinc/45/09/72/926450972.db2.gz HCPNBVNEXQJELL-OUAUKWLOSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419071040 926451429 /nfs/dbraw/zinc/45/14/29/926451429.db2.gz UBNHYISZUGQULF-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419071040 926451436 /nfs/dbraw/zinc/45/14/36/926451436.db2.gz UBNHYISZUGQULF-CIUDSAMLSA-N 1 1 311.342 -1.961 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419061314 926451463 /nfs/dbraw/zinc/45/14/63/926451463.db2.gz VCDGNONRQAKIRF-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419061314 926451471 /nfs/dbraw/zinc/45/14/71/926451471.db2.gz VCDGNONRQAKIRF-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001419069798 926451500 /nfs/dbraw/zinc/45/15/00/926451500.db2.gz GTTHXVKPTNYJEG-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419062952 926451594 /nfs/dbraw/zinc/45/15/94/926451594.db2.gz HCPNBVNEXQJELL-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001419059255 926452329 /nfs/dbraw/zinc/45/23/29/926452329.db2.gz RNNDJFWMGFXEDV-RWMBFGLXSA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)C(C)C ZINC001419084485 926453295 /nfs/dbraw/zinc/45/32/95/926453295.db2.gz JPCTUUXZQRONON-YPMHNXCESA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001419091726 926453484 /nfs/dbraw/zinc/45/34/84/926453484.db2.gz JDLFLDWVOWNOCK-KOLCDFICSA-N 1 1 306.388 -2.211 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)c2cn[nH]n2)CC1 ZINC001419077509 926453777 /nfs/dbraw/zinc/45/37/77/926453777.db2.gz FDIQOUDGYQLDIT-QMMMGPOBSA-N 1 1 323.357 -1.076 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419082436 926453877 /nfs/dbraw/zinc/45/38/77/926453877.db2.gz BXDQQUFQLMWEBQ-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419082436 926453881 /nfs/dbraw/zinc/45/38/81/926453881.db2.gz BXDQQUFQLMWEBQ-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC001419094023 926456193 /nfs/dbraw/zinc/45/61/93/926456193.db2.gz WVIIHPYEFJMVKR-GFCCVEGCSA-N 1 1 320.415 -1.819 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001419099681 926456611 /nfs/dbraw/zinc/45/66/11/926456611.db2.gz RPVVZQDWPYJOQX-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001419121363 926458738 /nfs/dbraw/zinc/45/87/38/926458738.db2.gz JTLXMKSLDCBSIA-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001419131757 926460937 /nfs/dbraw/zinc/46/09/37/926460937.db2.gz XCLWWCDCHCJJPY-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001419131757 926460943 /nfs/dbraw/zinc/46/09/43/926460943.db2.gz XCLWWCDCHCJJPY-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419138953 926461100 /nfs/dbraw/zinc/46/11/00/926461100.db2.gz ULXRWTAFQLNNFU-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419138953 926461104 /nfs/dbraw/zinc/46/11/04/926461104.db2.gz ULXRWTAFQLNNFU-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001419166955 926461919 /nfs/dbraw/zinc/46/19/19/926461919.db2.gz UYLRNWMZEDFHFP-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001419164929 926461949 /nfs/dbraw/zinc/46/19/49/926461949.db2.gz WYZNAEOCSYBRLK-ONGXEEELSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001419164929 926461953 /nfs/dbraw/zinc/46/19/53/926461953.db2.gz WYZNAEOCSYBRLK-ONGXEEELSA-N 1 1 311.386 -1.240 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419152775 926461990 /nfs/dbraw/zinc/46/19/90/926461990.db2.gz AOIZTXCKQWVRRL-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001419152775 926461997 /nfs/dbraw/zinc/46/19/97/926461997.db2.gz AOIZTXCKQWVRRL-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001419149506 926462456 /nfs/dbraw/zinc/46/24/56/926462456.db2.gz SNRVLMBFGQPEBP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001419149506 926462460 /nfs/dbraw/zinc/46/24/60/926462460.db2.gz SNRVLMBFGQPEBP-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001419174116 926463689 /nfs/dbraw/zinc/46/36/89/926463689.db2.gz MXJZRBGXOJXWDP-QWRGUYRKSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001419174116 926463700 /nfs/dbraw/zinc/46/37/00/926463700.db2.gz MXJZRBGXOJXWDP-QWRGUYRKSA-N 1 1 309.370 -1.616 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181369 926464165 /nfs/dbraw/zinc/46/41/65/926464165.db2.gz QTIWQSXNKQTHTO-SNVBAGLBSA-N 1 1 315.399 -1.308 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001419181369 926464171 /nfs/dbraw/zinc/46/41/71/926464171.db2.gz QTIWQSXNKQTHTO-SNVBAGLBSA-N 1 1 315.399 -1.308 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001419179731 926464596 /nfs/dbraw/zinc/46/45/96/926464596.db2.gz ZNYKETRJZHOEME-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001419179731 926464601 /nfs/dbraw/zinc/46/46/01/926464601.db2.gz ZNYKETRJZHOEME-SCZZXKLOSA-N 1 1 309.326 -1.009 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001419189356 926465019 /nfs/dbraw/zinc/46/50/19/926465019.db2.gz HAWGBWPPMUVGKC-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001419189356 926465027 /nfs/dbraw/zinc/46/50/27/926465027.db2.gz HAWGBWPPMUVGKC-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO CC[C@H](CNC(=O)CNC(=O)NC)[NH2+]Cc1nnnn1C1CC1 ZINC001419201162 926466752 /nfs/dbraw/zinc/46/67/52/926466752.db2.gz PZJUDPFWFAKIGN-SECBINFHSA-N 1 1 324.389 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001419229314 926468423 /nfs/dbraw/zinc/46/84/23/926468423.db2.gz ATKXIROGLBRMBG-LLVKDONJSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001419229317 926468553 /nfs/dbraw/zinc/46/85/53/926468553.db2.gz ATKXIROGLBRMBG-NSHDSACASA-N 1 1 321.385 -1.279 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1nnnn1C ZINC001419278357 926470141 /nfs/dbraw/zinc/47/01/41/926470141.db2.gz ZVFIPKPGUKIZJS-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@@H]([NH2+][C@@H](CNC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001419304013 926471903 /nfs/dbraw/zinc/47/19/03/926471903.db2.gz FXOXMTSOZGEUHF-SCZZXKLOSA-N 1 1 324.389 -1.186 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)CCn2cnnn2)C2CC2)nn1 ZINC001419296557 926471965 /nfs/dbraw/zinc/47/19/65/926471965.db2.gz CCHAWXWXGGVQEI-GFCCVEGCSA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)c1nnnn1C ZINC001419368546 926473130 /nfs/dbraw/zinc/47/31/30/926473130.db2.gz ALTNJZJMAHDHCQ-VGMNWLOBSA-N 1 1 310.362 -1.482 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001419338499 926473574 /nfs/dbraw/zinc/47/35/74/926473574.db2.gz PFTMVKGNLLFGIX-GRYCIOLGSA-N 1 1 310.358 -1.644 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001419370705 926473906 /nfs/dbraw/zinc/47/39/06/926473906.db2.gz AVHHLFUDWFTVRU-BDAKNGLRSA-N 1 1 317.371 -1.302 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@](C)(NC(=O)Cn2ncnn2)C2CC2)n1 ZINC001419338595 926474048 /nfs/dbraw/zinc/47/40/48/926474048.db2.gz AWIFCLQEXDNLCN-CYBMUJFWSA-N 1 1 319.373 -1.124 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001419386170 926475604 /nfs/dbraw/zinc/47/56/04/926475604.db2.gz JVZMEXFAWHGHFW-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001419424405 926476372 /nfs/dbraw/zinc/47/63/72/926476372.db2.gz TYDPAJXLTLNEGR-SECBINFHSA-N 1 1 310.362 -1.651 20 0 DAADMO CCc1[nH+]ccn1CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001419409389 926477470 /nfs/dbraw/zinc/47/74/70/926477470.db2.gz KBARLNBYZFVERF-SNVBAGLBSA-N 1 1 320.357 -1.247 20 0 DAADMO C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001419475600 926480083 /nfs/dbraw/zinc/48/00/83/926480083.db2.gz ZIUORTOYMJNPPF-RKDXNWHRSA-N 1 1 312.378 -1.501 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001419540871 926483272 /nfs/dbraw/zinc/48/32/72/926483272.db2.gz RLLVETKRKFUCAZ-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001419540871 926483282 /nfs/dbraw/zinc/48/32/82/926483282.db2.gz RLLVETKRKFUCAZ-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001419532040 926483844 /nfs/dbraw/zinc/48/38/44/926483844.db2.gz BNOOERZLPWNGNU-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001419538405 926483914 /nfs/dbraw/zinc/48/39/14/926483914.db2.gz NNORXRMVDFEJSE-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001419552911 926485079 /nfs/dbraw/zinc/48/50/79/926485079.db2.gz IDQPXZQFETWVBK-NEPJUHHUSA-N 1 1 316.402 -1.120 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001419547344 926485127 /nfs/dbraw/zinc/48/51/27/926485127.db2.gz QDXQEFBIJGLJEQ-MEWQQHAOSA-N 1 1 324.381 -1.098 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001419547344 926485133 /nfs/dbraw/zinc/48/51/33/926485133.db2.gz QDXQEFBIJGLJEQ-MEWQQHAOSA-N 1 1 324.381 -1.098 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)CCO1 ZINC001419576303 926488409 /nfs/dbraw/zinc/48/84/09/926488409.db2.gz STXKAYKJVDJSLL-CHWSQXEVSA-N 1 1 321.381 -1.103 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419579871 926488864 /nfs/dbraw/zinc/48/88/64/926488864.db2.gz LCCWSYCRRCPKDJ-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CCCC[N@@H+]1CCCO ZINC001419591008 926488914 /nfs/dbraw/zinc/48/89/14/926488914.db2.gz ISOCWZYCVOCPIN-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO CNC(=O)CN1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419579869 926489389 /nfs/dbraw/zinc/48/93/89/926489389.db2.gz LCCWSYCRRCPKDJ-GFCCVEGCSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001419604756 926491269 /nfs/dbraw/zinc/49/12/69/926491269.db2.gz ZISAGVCNJMMZNK-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001419604756 926491275 /nfs/dbraw/zinc/49/12/75/926491275.db2.gz ZISAGVCNJMMZNK-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)c(=O)n1C ZINC001419626166 926491456 /nfs/dbraw/zinc/49/14/56/926491456.db2.gz ZMVXPFBXABPJLG-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)c(=O)n1C ZINC001419626166 926491465 /nfs/dbraw/zinc/49/14/65/926491465.db2.gz ZMVXPFBXABPJLG-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001419677390 926492052 /nfs/dbraw/zinc/49/20/52/926492052.db2.gz JJYPPTBXFRQWGE-NXEZZACHSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001419647895 926492135 /nfs/dbraw/zinc/49/21/35/926492135.db2.gz IYEWDXJKNBVXIK-FBDQPXRJSA-N 1 1 309.370 -1.680 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)NC(N)=O ZINC001419636541 926492402 /nfs/dbraw/zinc/49/24/02/926492402.db2.gz CSNIQNAKLPDJEY-ZTVLKNOQSA-N 1 1 323.397 -1.290 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001419632647 926493350 /nfs/dbraw/zinc/49/33/50/926493350.db2.gz FWEXHOQVBCSSGJ-CQKCGHAMSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001419632647 926493357 /nfs/dbraw/zinc/49/33/57/926493357.db2.gz FWEXHOQVBCSSGJ-CQKCGHAMSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419684876 926494649 /nfs/dbraw/zinc/49/46/49/926494649.db2.gz LRGUSHSLWOSNSA-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419683102 926495139 /nfs/dbraw/zinc/49/51/39/926495139.db2.gz JUGRGJPTRHCUJH-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001419722218 926496035 /nfs/dbraw/zinc/49/60/35/926496035.db2.gz PZSCQAOHJPXVCC-ZMLRMANQSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001419710603 926496887 /nfs/dbraw/zinc/49/68/87/926496887.db2.gz YVLGMZUWUNRAIW-VHSXEESVSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nccn1C ZINC001419763766 926498047 /nfs/dbraw/zinc/49/80/47/926498047.db2.gz ACFMKYBWQMGPSO-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001419751501 926498096 /nfs/dbraw/zinc/49/80/96/926498096.db2.gz SQPCXOJRRAHMHB-SNVBAGLBSA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+][C@@H](C)c1nnnn1C ZINC001419761681 926498114 /nfs/dbraw/zinc/49/81/14/926498114.db2.gz WTCGHPZBHNZUFD-IUCAKERBSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419757076 926498197 /nfs/dbraw/zinc/49/81/97/926498197.db2.gz HJZRFEFSBJWKKH-SCZZXKLOSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419757072 926498571 /nfs/dbraw/zinc/49/85/71/926498571.db2.gz HJZRFEFSBJWKKH-PSASIEDQSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@H](C(=O)NCc1nnc2c(=O)[nH]ccn12)N1CC[NH+](C)CC1 ZINC001419768486 926499949 /nfs/dbraw/zinc/49/99/49/926499949.db2.gz QNEUQUWRPLPFAX-SNVBAGLBSA-N 1 1 319.369 -1.330 20 0 DAADMO CC(C)C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001419790864 926501782 /nfs/dbraw/zinc/50/17/82/926501782.db2.gz MIRFFTROXWRFTP-UWVGGRQHSA-N 1 1 324.389 -1.488 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001419812822 926502064 /nfs/dbraw/zinc/50/20/64/926502064.db2.gz WDQIXLAOTQRKNO-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001419827293 926503742 /nfs/dbraw/zinc/50/37/42/926503742.db2.gz VPRDLVDYSCZNMZ-DTWKUNHWSA-N 1 1 313.337 -1.477 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001419854976 926505109 /nfs/dbraw/zinc/50/51/09/926505109.db2.gz TVFVINSVJAHIGA-GARJFASQSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001419827144 926505309 /nfs/dbraw/zinc/50/53/09/926505309.db2.gz VPRDLVDYSCZNMZ-BDAKNGLRSA-N 1 1 313.337 -1.477 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 ZINC001419860363 926506601 /nfs/dbraw/zinc/50/66/01/926506601.db2.gz KTEADZWIKWVHPH-UWVGGRQHSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1nnnn1C ZINC001419925963 926508235 /nfs/dbraw/zinc/50/82/35/926508235.db2.gz UXFGHZZNFJCLPM-JTQLQIEISA-N 1 1 305.342 -1.334 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001419911313 926508764 /nfs/dbraw/zinc/50/87/64/926508764.db2.gz YLXXAJCWDNEBDP-MRVPVSSYSA-N 1 1 323.357 -1.124 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+][C@@H](C)c1nnnn1C ZINC001419932714 926510024 /nfs/dbraw/zinc/51/00/24/926510024.db2.gz HDCUTEPEWPKZBR-BDAKNGLRSA-N 1 1 322.373 -1.284 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001419930894 926510614 /nfs/dbraw/zinc/51/06/14/926510614.db2.gz PWLJCJTVVBFILX-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001419965715 926513641 /nfs/dbraw/zinc/51/36/41/926513641.db2.gz HQAOVPZSTADBAC-LBPRGKRZSA-N 1 1 317.386 -1.757 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1)NC(N)=O ZINC001419958727 926514120 /nfs/dbraw/zinc/51/41/20/926514120.db2.gz XQIKJDSGXWFGSZ-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001419988671 926514601 /nfs/dbraw/zinc/51/46/01/926514601.db2.gz CSHZPCPNVKZLRM-MRVPVSSYSA-N 1 1 301.347 -1.917 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001419988671 926514608 /nfs/dbraw/zinc/51/46/08/926514608.db2.gz CSHZPCPNVKZLRM-MRVPVSSYSA-N 1 1 301.347 -1.917 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419993191 926515957 /nfs/dbraw/zinc/51/59/57/926515957.db2.gz ABKZDUFNAJLMOL-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419993191 926515963 /nfs/dbraw/zinc/51/59/63/926515963.db2.gz ABKZDUFNAJLMOL-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)Cn1ncn2nccc2c1=O ZINC001420022168 926516546 /nfs/dbraw/zinc/51/65/46/926516546.db2.gz PRNGZMPYUTUYOJ-UHFFFAOYSA-N 1 1 322.369 -1.336 20 0 DAADMO CCC[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001420040392 926516600 /nfs/dbraw/zinc/51/66/00/926516600.db2.gz MASBZNVOVJDAKX-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041967 926516673 /nfs/dbraw/zinc/51/66/73/926516673.db2.gz SMEPPIIDOWHOQJ-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041967 926516675 /nfs/dbraw/zinc/51/66/75/926516675.db2.gz SMEPPIIDOWHOQJ-JTQLQIEISA-N 1 1 324.385 -1.064 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001420045068 926516960 /nfs/dbraw/zinc/51/69/60/926516960.db2.gz HDZDXLPFFKKLDI-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001420045068 926516964 /nfs/dbraw/zinc/51/69/64/926516964.db2.gz HDZDXLPFFKKLDI-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001420053755 926517183 /nfs/dbraw/zinc/51/71/83/926517183.db2.gz VVJJCTSAIGXABT-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041972 926517678 /nfs/dbraw/zinc/51/76/78/926517678.db2.gz SMEPPIIDOWHOQJ-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001420041972 926517685 /nfs/dbraw/zinc/51/76/85/926517685.db2.gz SMEPPIIDOWHOQJ-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001420087312 926520465 /nfs/dbraw/zinc/52/04/65/926520465.db2.gz GSFWRXQRHZXBNH-MWLCHTKSSA-N 1 1 312.374 -1.611 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001420090475 926521119 /nfs/dbraw/zinc/52/11/19/926521119.db2.gz UTKBHHGGYYVXJB-UWVGGRQHSA-N 1 1 324.389 -1.486 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001420100555 926522403 /nfs/dbraw/zinc/52/24/03/926522403.db2.gz CSUUHZJMZOTVFV-ONGXEEELSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)c(C)o1 ZINC001420093863 926523232 /nfs/dbraw/zinc/52/32/32/926523232.db2.gz FJYKYGSGSMEIFW-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1)c1nnnn1C ZINC001420101438 926524823 /nfs/dbraw/zinc/52/48/23/926524823.db2.gz JAZSWMCMUDWKTL-WCBMZHEXSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1)c1nnnn1C ZINC001420101203 926524898 /nfs/dbraw/zinc/52/48/98/926524898.db2.gz JAZSWMCMUDWKTL-PSASIEDQSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001420101337 926524927 /nfs/dbraw/zinc/52/49/27/926524927.db2.gz DIPIFLWGPZEENM-GXSJLCMTSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1)c1nncn1C ZINC001420107013 926525825 /nfs/dbraw/zinc/52/58/25/926525825.db2.gz LTJBNZCTJYWXIJ-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001420119188 926528525 /nfs/dbraw/zinc/52/85/25/926528525.db2.gz ZWBKNLPFFBVGDM-CHWSQXEVSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001420116988 926528873 /nfs/dbraw/zinc/52/88/73/926528873.db2.gz SOSBYLJYLMKWIB-NSHDSACASA-N 1 1 310.358 -1.842 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n2cncn2)n1 ZINC001420121933 926530504 /nfs/dbraw/zinc/53/05/04/926530504.db2.gz ZCXATTKTFQCGGI-ZYHUDNBSSA-N 1 1 322.373 -1.283 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n2cncn2)n1 ZINC001420121932 926531367 /nfs/dbraw/zinc/53/13/67/926531367.db2.gz ZCXATTKTFQCGGI-PWSUYJOCSA-N 1 1 322.373 -1.283 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001420127337 926532668 /nfs/dbraw/zinc/53/26/68/926532668.db2.gz UMBRCOHLUVKDJC-NXEZZACHSA-N 1 1 312.330 -2.027 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001420126178 926532855 /nfs/dbraw/zinc/53/28/55/926532855.db2.gz PTRSXMNMWMBELN-SNVBAGLBSA-N 1 1 322.373 -1.303 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)nn1 ZINC001420127342 926533111 /nfs/dbraw/zinc/53/31/11/926533111.db2.gz UMBRCOHLUVKDJC-VHSXEESVSA-N 1 1 312.330 -2.027 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001420127340 926533301 /nfs/dbraw/zinc/53/33/01/926533301.db2.gz UMBRCOHLUVKDJC-UWVGGRQHSA-N 1 1 312.330 -2.027 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C)n[nH]1 ZINC001420129499 926533348 /nfs/dbraw/zinc/53/33/48/926533348.db2.gz RPYFIWLHGWJFNJ-SCZZXKLOSA-N 1 1 312.374 -1.801 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)n[nH]1 ZINC001420127309 926533379 /nfs/dbraw/zinc/53/33/79/926533379.db2.gz LLZWJTPRUCGPLF-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cncc2nc[nH]c21 ZINC001420128460 926534139 /nfs/dbraw/zinc/53/41/39/926534139.db2.gz QUANUQUBLNQXTK-NXEZZACHSA-N 1 1 323.353 -1.355 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)nn1 ZINC001420127344 926534160 /nfs/dbraw/zinc/53/41/60/926534160.db2.gz UMBRCOHLUVKDJC-ZJUUUORDSA-N 1 1 312.330 -2.027 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H](O)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001420133291 926535557 /nfs/dbraw/zinc/53/55/57/926535557.db2.gz ZWGHKQBGQSAXEW-JTQLQIEISA-N 1 1 321.341 -1.195 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001420135071 926535743 /nfs/dbraw/zinc/53/57/43/926535743.db2.gz FRSXIFNBKJDYGJ-JTQLQIEISA-N 1 1 313.314 -2.505 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)n1 ZINC001420137830 926537256 /nfs/dbraw/zinc/53/72/56/926537256.db2.gz LGOLBRRIUUKUQU-CMPLNLGQSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)n1 ZINC001420137833 926537968 /nfs/dbraw/zinc/53/79/68/926537968.db2.gz LGOLBRRIUUKUQU-JQWIXIFHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)n1 ZINC001420137836 926538459 /nfs/dbraw/zinc/53/84/59/926538459.db2.gz LGOLBRRIUUKUQU-PWSUYJOCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001420137324 926538567 /nfs/dbraw/zinc/53/85/67/926538567.db2.gz JNUJGEJGUOCVDM-LLVKDONJSA-N 1 1 320.357 -1.800 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001420139560 926540104 /nfs/dbraw/zinc/54/01/04/926540104.db2.gz NEHWQWJQTAAYIO-UWVGGRQHSA-N 1 1 312.374 -1.704 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001420139564 926540588 /nfs/dbraw/zinc/54/05/88/926540588.db2.gz NEHWQWJQTAAYIO-VHSXEESVSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnn3c2CCC3)n1 ZINC001420147564 926541612 /nfs/dbraw/zinc/54/16/12/926541612.db2.gz XOSSTSIOZOVQIW-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001420148605 926542031 /nfs/dbraw/zinc/54/20/31/926542031.db2.gz CSQMCFDGQDEHLV-KCJUWKMLSA-N 1 1 302.310 -2.095 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001420145715 926542095 /nfs/dbraw/zinc/54/20/95/926542095.db2.gz TYAXHHPANKIKMQ-LBPRGKRZSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001420148240 926542510 /nfs/dbraw/zinc/54/25/10/926542510.db2.gz XCIHGUPHCFLSGA-SECBINFHSA-N 1 1 320.357 -1.767 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)co1 ZINC001420149400 926544003 /nfs/dbraw/zinc/54/40/03/926544003.db2.gz WMWANEWDESSYEB-LLVKDONJSA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 ZINC001420162019 926545864 /nfs/dbraw/zinc/54/58/64/926545864.db2.gz MOTOEBIEDZYBMX-KOLCDFICSA-N 1 1 309.370 -1.137 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(F)CCOC2)n1 ZINC001420155879 926547344 /nfs/dbraw/zinc/54/73/44/926547344.db2.gz ODYNYYHWQHBKKP-JQWIXIFHSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)nn1 ZINC001420165742 926548093 /nfs/dbraw/zinc/54/80/93/926548093.db2.gz OOXFQNABTMDNLN-BXUZGUMPSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001420174897 926550262 /nfs/dbraw/zinc/55/02/62/926550262.db2.gz MAFBYUOTBMYYLW-RNCFNFMXSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420167587 926551122 /nfs/dbraw/zinc/55/11/22/926551122.db2.gz VWUMZXCLBWXTRL-RKDXNWHRSA-N 1 1 311.346 -2.595 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cscn2)NC1=O ZINC001420167606 926551258 /nfs/dbraw/zinc/55/12/58/926551258.db2.gz WACPTUOFXFRTFT-VHSXEESVSA-N 1 1 313.383 -1.267 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1ncc[nH]1)c1nncn1C ZINC001420181131 926552992 /nfs/dbraw/zinc/55/29/92/926552992.db2.gz CDHNSEWAXIXZJV-UWVGGRQHSA-N 1 1 307.358 -1.091 20 0 DAADMO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1cnc[nH]1)C1CC1 ZINC001420179925 926553898 /nfs/dbraw/zinc/55/38/98/926553898.db2.gz QZJHJYFSTCKSCX-LBPRGKRZSA-N 1 1 309.370 -1.360 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001420179362 926553960 /nfs/dbraw/zinc/55/39/60/926553960.db2.gz AQHDRGKIKOLGPB-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001420179362 926553965 /nfs/dbraw/zinc/55/39/65/926553965.db2.gz AQHDRGKIKOLGPB-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2cnn(C)n2)C1 ZINC001420177182 926553978 /nfs/dbraw/zinc/55/39/78/926553978.db2.gz WFSXQPPSMPBAGT-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001420179883 926554339 /nfs/dbraw/zinc/55/43/39/926554339.db2.gz DGVRXFHYEHXPEO-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001420179883 926554344 /nfs/dbraw/zinc/55/43/44/926554344.db2.gz DGVRXFHYEHXPEO-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001420186719 926555207 /nfs/dbraw/zinc/55/52/07/926555207.db2.gz RCWYGTOJPBBVKK-SNVBAGLBSA-N 1 1 306.326 -1.023 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001420185700 926555399 /nfs/dbraw/zinc/55/53/99/926555399.db2.gz SYQODCHLPCTTAR-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001420185700 926555409 /nfs/dbraw/zinc/55/54/09/926555409.db2.gz SYQODCHLPCTTAR-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001420183071 926556448 /nfs/dbraw/zinc/55/64/48/926556448.db2.gz OMQWBIQNYDCVAB-UHFFFAOYSA-N 1 1 315.374 -1.642 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CN(C)C(C)=O ZINC001420183071 926556456 /nfs/dbraw/zinc/55/64/56/926556456.db2.gz OMQWBIQNYDCVAB-UHFFFAOYSA-N 1 1 315.374 -1.642 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(=O)NC1CC1 ZINC001420186587 926556542 /nfs/dbraw/zinc/55/65/42/926556542.db2.gz SPCMLWMFOMVOJV-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cccn1)CC(=O)NC(=O)NC1CC1 ZINC001420186587 926556552 /nfs/dbraw/zinc/55/65/52/926556552.db2.gz SPCMLWMFOMVOJV-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001420185261 926556851 /nfs/dbraw/zinc/55/68/51/926556851.db2.gz NGQLJYDVBXLWRT-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001420190525 926558152 /nfs/dbraw/zinc/55/81/52/926558152.db2.gz FMQABHZMKCDJDK-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001420190525 926558156 /nfs/dbraw/zinc/55/81/56/926558156.db2.gz FMQABHZMKCDJDK-NXEZZACHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001420190533 926558357 /nfs/dbraw/zinc/55/83/57/926558357.db2.gz FMQABHZMKCDJDK-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001420190533 926558367 /nfs/dbraw/zinc/55/83/67/926558367.db2.gz FMQABHZMKCDJDK-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001420190530 926558480 /nfs/dbraw/zinc/55/84/80/926558480.db2.gz FMQABHZMKCDJDK-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001420190530 926558489 /nfs/dbraw/zinc/55/84/89/926558489.db2.gz FMQABHZMKCDJDK-VHSXEESVSA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)COc1cccnc1 ZINC001420194909 926559985 /nfs/dbraw/zinc/55/99/85/926559985.db2.gz UXVXCMDEHSAVRA-NSHDSACASA-N 1 1 320.353 -1.144 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001420196576 926560676 /nfs/dbraw/zinc/56/06/76/926560676.db2.gz WGJVFTWHPFDQMR-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)CN2CCOCC2)C1=O ZINC001420196576 926560684 /nfs/dbraw/zinc/56/06/84/926560684.db2.gz WGJVFTWHPFDQMR-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cncn1C)c1nnnn1C ZINC001420194866 926561404 /nfs/dbraw/zinc/56/14/04/926561404.db2.gz KVWBSINEYFVLIH-KOLCDFICSA-N 1 1 322.373 -1.686 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)nc1 ZINC001420203514 926562775 /nfs/dbraw/zinc/56/27/75/926562775.db2.gz HWDHWBXEZVKETR-LLVKDONJSA-N 1 1 305.342 -1.357 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001420198543 926564141 /nfs/dbraw/zinc/56/41/41/926564141.db2.gz MBJUFSWHFXOQRN-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001420198543 926564148 /nfs/dbraw/zinc/56/41/48/926564148.db2.gz MBJUFSWHFXOQRN-UHFFFAOYSA-N 1 1 309.326 -1.096 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001420211553 926564760 /nfs/dbraw/zinc/56/47/60/926564760.db2.gz KPMDRBRSSFZPRG-QMMMGPOBSA-N 1 1 322.412 -1.461 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cn(C)nn1)S(C)(=O)=O ZINC001420207109 926565237 /nfs/dbraw/zinc/56/52/37/926565237.db2.gz RXEKVGXJKGRSOD-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cn(C)nn1)S(C)(=O)=O ZINC001420207109 926565245 /nfs/dbraw/zinc/56/52/45/926565245.db2.gz RXEKVGXJKGRSOD-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420221246 926567102 /nfs/dbraw/zinc/56/71/02/926567102.db2.gz JQUMQCCLNQHSLT-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420221246 926567108 /nfs/dbraw/zinc/56/71/08/926567108.db2.gz JQUMQCCLNQHSLT-SECBINFHSA-N 1 1 323.419 -2.354 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)c1N ZINC001420213079 926567675 /nfs/dbraw/zinc/56/76/75/926567675.db2.gz WWGFGNZAKCUHSU-UHFFFAOYSA-N 1 1 309.374 -1.311 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)CNC(=O)NC ZINC001420239359 926569305 /nfs/dbraw/zinc/56/93/05/926569305.db2.gz YBJZOOVTXXGBKA-VIFPVBQESA-N 1 1 312.378 -1.362 20 0 DAADMO Cc1c(CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)cnn1C ZINC001420230905 926569816 /nfs/dbraw/zinc/56/98/16/926569816.db2.gz DOHCVCHTEQQJQW-SNVBAGLBSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)cnn1C ZINC001420230905 926569825 /nfs/dbraw/zinc/56/98/25/926569825.db2.gz DOHCVCHTEQQJQW-SNVBAGLBSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001420230904 926570049 /nfs/dbraw/zinc/57/00/49/926570049.db2.gz DOHCVCHTEQQJQW-JTQLQIEISA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001420230904 926570058 /nfs/dbraw/zinc/57/00/58/926570058.db2.gz DOHCVCHTEQQJQW-JTQLQIEISA-N 1 1 324.385 -1.098 20 0 DAADMO Cn1nccc1CC[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001420245691 926570156 /nfs/dbraw/zinc/57/01/56/926570156.db2.gz XMMAQEZTANEGSZ-UHFFFAOYSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001420243534 926570294 /nfs/dbraw/zinc/57/02/94/926570294.db2.gz JUIOAPBSDRRAKT-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCOCC1=O ZINC001420243534 926570301 /nfs/dbraw/zinc/57/03/01/926570301.db2.gz JUIOAPBSDRRAKT-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001420236348 926570998 /nfs/dbraw/zinc/57/09/98/926570998.db2.gz YMTPWZPJBULSQI-BDAKNGLRSA-N 1 1 308.346 -1.317 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001420229888 926571239 /nfs/dbraw/zinc/57/12/39/926571239.db2.gz ACLSJELRSUVTOP-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC001420229888 926571242 /nfs/dbraw/zinc/57/12/42/926571242.db2.gz ACLSJELRSUVTOP-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001420250450 926571600 /nfs/dbraw/zinc/57/16/00/926571600.db2.gz YYDAQANZGRUAFP-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1ccc(=O)n(C)c1 ZINC001420250450 926571609 /nfs/dbraw/zinc/57/16/09/926571609.db2.gz YYDAQANZGRUAFP-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[N@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CCNC1=O ZINC001420253180 926571985 /nfs/dbraw/zinc/57/19/85/926571985.db2.gz OIOKYIURZXIKFM-LBPRGKRZSA-N 1 1 319.365 -1.341 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)[C@H]1CCNC1=O ZINC001420253180 926571992 /nfs/dbraw/zinc/57/19/92/926571992.db2.gz OIOKYIURZXIKFM-LBPRGKRZSA-N 1 1 319.365 -1.341 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001420256682 926572178 /nfs/dbraw/zinc/57/21/78/926572178.db2.gz GCFDQAYTXBEQSG-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001420256682 926572185 /nfs/dbraw/zinc/57/21/85/926572185.db2.gz GCFDQAYTXBEQSG-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)cc1=O ZINC001420258306 926572548 /nfs/dbraw/zinc/57/25/48/926572548.db2.gz SJGNDXHYLBGDDY-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)cc1=O ZINC001420258306 926572552 /nfs/dbraw/zinc/57/25/52/926572552.db2.gz SJGNDXHYLBGDDY-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)NC1=O ZINC001420284204 926574791 /nfs/dbraw/zinc/57/47/91/926574791.db2.gz LLDOBYOFHQZXKA-RYUDHWBXSA-N 1 1 324.385 -1.684 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001420284262 926574863 /nfs/dbraw/zinc/57/48/63/926574863.db2.gz MHTZJLHVELGXHH-SECBINFHSA-N 1 1 315.374 -1.608 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O ZINC001420284262 926574872 /nfs/dbraw/zinc/57/48/72/926574872.db2.gz MHTZJLHVELGXHH-SECBINFHSA-N 1 1 315.374 -1.608 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H]1C[C@]12CCOC2 ZINC001420279953 926575060 /nfs/dbraw/zinc/57/50/60/926575060.db2.gz CATYEFYNIJYQDB-BBRMVZONSA-N 1 1 324.425 -1.107 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC001420278566 926575272 /nfs/dbraw/zinc/57/52/72/926575272.db2.gz WMQYOEAGTDVJES-LLVKDONJSA-N 1 1 307.354 -1.075 20 0 DAADMO Cc1cc(C[N@H+](C)CCNC(=O)CN2CCNC(=O)C2)ncn1 ZINC001420286374 926575570 /nfs/dbraw/zinc/57/55/70/926575570.db2.gz RMWPVMAYIHKIFS-UHFFFAOYSA-N 1 1 320.397 -1.235 20 0 DAADMO Cc1cc(C[N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)ncn1 ZINC001420286374 926575579 /nfs/dbraw/zinc/57/55/79/926575579.db2.gz RMWPVMAYIHKIFS-UHFFFAOYSA-N 1 1 320.397 -1.235 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC001420269766 926575625 /nfs/dbraw/zinc/57/56/25/926575625.db2.gz HEXVOHGMFVSRPA-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO COc1ncccc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001420284092 926575772 /nfs/dbraw/zinc/57/57/72/926575772.db2.gz WQYQQSSBIJPXBJ-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO COc1ncccc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001420284092 926575781 /nfs/dbraw/zinc/57/57/81/926575781.db2.gz WQYQQSSBIJPXBJ-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001420274816 926575842 /nfs/dbraw/zinc/57/58/42/926575842.db2.gz DOMVZAUDVJHUMA-UHFFFAOYSA-N 1 1 310.358 -1.107 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001420274816 926575852 /nfs/dbraw/zinc/57/58/52/926575852.db2.gz DOMVZAUDVJHUMA-UHFFFAOYSA-N 1 1 310.358 -1.107 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H](C)NC(N)=O ZINC001420273247 926576169 /nfs/dbraw/zinc/57/61/69/926576169.db2.gz MGORXHIYDAPVHT-BDAKNGLRSA-N 1 1 315.353 -1.101 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCOCC1=O ZINC001420300856 926576751 /nfs/dbraw/zinc/57/67/51/926576751.db2.gz RXLRLYSTAGMYQI-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1cn[nH]n1)CCN1CCNC1=O ZINC001420299428 926578042 /nfs/dbraw/zinc/57/80/42/926578042.db2.gz MLCIOVGSVPYJCG-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[N@H+](CCNC(=O)CCc1c[nH]nn1)CCN1CCNC1=O ZINC001420299428 926578050 /nfs/dbraw/zinc/57/80/50/926578050.db2.gz MLCIOVGSVPYJCG-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1c[nH]nn1)CCN1CCNC1=O ZINC001420299428 926578061 /nfs/dbraw/zinc/57/80/61/926578061.db2.gz MLCIOVGSVPYJCG-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001420290534 926578455 /nfs/dbraw/zinc/57/84/55/926578455.db2.gz KIQCCJYPRPHFIW-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294420 926578480 /nfs/dbraw/zinc/57/84/80/926578480.db2.gz OMAKHTDESVSLTK-VHSXEESVSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294420 926578490 /nfs/dbraw/zinc/57/84/90/926578490.db2.gz OMAKHTDESVSLTK-VHSXEESVSA-N 1 1 318.374 -1.460 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420321010 926579498 /nfs/dbraw/zinc/57/94/98/926579498.db2.gz HVVIUWZLNBRTAQ-SCZZXKLOSA-N 1 1 322.373 -1.374 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420318165 926580612 /nfs/dbraw/zinc/58/06/12/926580612.db2.gz YTKSQLXSVQTXKV-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420318165 926580623 /nfs/dbraw/zinc/58/06/23/926580623.db2.gz YTKSQLXSVQTXKV-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420318164 926580881 /nfs/dbraw/zinc/58/08/81/926580881.db2.gz YTKSQLXSVQTXKV-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001420318164 926580887 /nfs/dbraw/zinc/58/08/87/926580887.db2.gz YTKSQLXSVQTXKV-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)CCN1CCCC1=O ZINC001420317607 926580962 /nfs/dbraw/zinc/58/09/62/926580962.db2.gz GCFQWFPEQHDHGH-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nccs1 ZINC001420326306 926581111 /nfs/dbraw/zinc/58/11/11/926581111.db2.gz NRWVVZHIHWBKDG-MRVPVSSYSA-N 1 1 321.428 -1.209 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001420344421 926583141 /nfs/dbraw/zinc/58/31/41/926583141.db2.gz DYMGUVJXHGDDDX-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)N2CCC2)C1 ZINC001420352666 926584507 /nfs/dbraw/zinc/58/45/07/926584507.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)CC(=O)N2CCC2)C1 ZINC001420352666 926584517 /nfs/dbraw/zinc/58/45/17/926584517.db2.gz QHIMNOFILGETFY-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+](CCNC(=O)C1=COCCO1)CCNS(C)(=O)=O ZINC001420367255 926584651 /nfs/dbraw/zinc/58/46/51/926584651.db2.gz PFAFHTGSWKRFDP-UHFFFAOYSA-N 1 1 321.399 -1.138 20 0 DAADMO CC[N@@H+](CCNC(=O)C1=COCCO1)CCNS(C)(=O)=O ZINC001420367255 926584661 /nfs/dbraw/zinc/58/46/61/926584661.db2.gz PFAFHTGSWKRFDP-UHFFFAOYSA-N 1 1 321.399 -1.138 20 0 DAADMO CC[N@@H+](CCNC(=O)CCS(=O)(=O)NC)[C@@H]1CCNC1=O ZINC001420385079 926586580 /nfs/dbraw/zinc/58/65/80/926586580.db2.gz HDLFPMSPSCLZQA-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001420380154 926586815 /nfs/dbraw/zinc/58/68/15/926586815.db2.gz CCXQVUSQRQZILZ-RWMBFGLXSA-N 1 1 313.398 -1.211 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001420372367 926587037 /nfs/dbraw/zinc/58/70/37/926587037.db2.gz BUVPBNHJTSUOQR-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001420372367 926587044 /nfs/dbraw/zinc/58/70/44/926587044.db2.gz BUVPBNHJTSUOQR-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001420374294 926587252 /nfs/dbraw/zinc/58/72/52/926587252.db2.gz JTNWGFYZCSPCQT-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1ccc(=O)n(C)n1 ZINC001420375127 926587837 /nfs/dbraw/zinc/58/78/37/926587837.db2.gz NGIWKYDPYKWNOR-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncnn1)[C@@H](C)C(=O)NC1CC1 ZINC001420384762 926588245 /nfs/dbraw/zinc/58/82/45/926588245.db2.gz FDKRPDRWYUETLO-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H](C)C(=O)NC1CC1 ZINC001420384762 926588253 /nfs/dbraw/zinc/58/82/53/926588253.db2.gz FDKRPDRWYUETLO-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001420421309 926590087 /nfs/dbraw/zinc/59/00/87/926590087.db2.gz HCKUXHWANCVGQY-QMMMGPOBSA-N 1 1 318.403 -1.353 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1)CC(N)=O ZINC001420407533 926590354 /nfs/dbraw/zinc/59/03/54/926590354.db2.gz IOIKCDRUMYATMU-UHFFFAOYSA-N 1 1 320.353 -1.132 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1)CC(N)=O ZINC001420407533 926590362 /nfs/dbraw/zinc/59/03/62/926590362.db2.gz IOIKCDRUMYATMU-UHFFFAOYSA-N 1 1 320.353 -1.132 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)[C@@H](C)C(N)=O ZINC001420429694 926592851 /nfs/dbraw/zinc/59/28/51/926592851.db2.gz YBDRLBZFUHUKIL-QWRGUYRKSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)[C@@H](C)C(N)=O ZINC001420429694 926592860 /nfs/dbraw/zinc/59/28/60/926592860.db2.gz YBDRLBZFUHUKIL-QWRGUYRKSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1cncn1C ZINC001420424438 926592920 /nfs/dbraw/zinc/59/29/20/926592920.db2.gz VEHJXXQKPHLRSY-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1cncn1C ZINC001420424438 926592924 /nfs/dbraw/zinc/59/29/24/926592924.db2.gz VEHJXXQKPHLRSY-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1)CC(N)=O ZINC001420432317 926593081 /nfs/dbraw/zinc/59/30/81/926593081.db2.gz BOOTUOBOWQCQCD-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1)CC(N)=O ZINC001420432317 926593089 /nfs/dbraw/zinc/59/30/89/926593089.db2.gz BOOTUOBOWQCQCD-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001420477954 926595071 /nfs/dbraw/zinc/59/50/71/926595071.db2.gz FQCDRWMWWCEFNR-JGVFFNPUSA-N 1 1 305.360 -1.398 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)CCOC ZINC001420449057 926595232 /nfs/dbraw/zinc/59/52/32/926595232.db2.gz SNVYLDHXTZEODK-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCS(=O)(=O)CC1)CCOC ZINC001420449057 926595246 /nfs/dbraw/zinc/59/52/46/926595246.db2.gz SNVYLDHXTZEODK-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001420488686 926596577 /nfs/dbraw/zinc/59/65/77/926596577.db2.gz VXPIVVIAEAQWMA-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C[C@H](O)COC ZINC001420492457 926596668 /nfs/dbraw/zinc/59/66/68/926596668.db2.gz JIIORYWMPAXCPS-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC001420485878 926596829 /nfs/dbraw/zinc/59/68/29/926596829.db2.gz QCCKDKKXISCKIH-WDEREUQCSA-N 1 1 322.369 -1.565 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001420485226 926596967 /nfs/dbraw/zinc/59/69/67/926596967.db2.gz LZNGDIAWOFNSBZ-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001420485226 926596971 /nfs/dbraw/zinc/59/69/71/926596971.db2.gz LZNGDIAWOFNSBZ-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420485038 926597812 /nfs/dbraw/zinc/59/78/12/926597812.db2.gz WRZRXSJYSZEMAQ-BQBZGAKWSA-N 1 1 312.355 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)COCc2nncn2C)C1 ZINC001420534470 926598484 /nfs/dbraw/zinc/59/84/84/926598484.db2.gz AGKXAPMZXLEECM-QWRGUYRKSA-N 1 1 324.385 -1.356 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001420533944 926598621 /nfs/dbraw/zinc/59/86/21/926598621.db2.gz UGLFLIGFEIDMGN-VXGBXAGGSA-N 1 1 324.381 -1.161 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420536525 926599816 /nfs/dbraw/zinc/59/98/16/926599816.db2.gz FTZLPDMXKHAVBU-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001420515412 926599988 /nfs/dbraw/zinc/59/99/88/926599988.db2.gz IUQBCKWFCKTTBO-VIFPVBQESA-N 1 1 308.342 -1.333 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001420536660 926600077 /nfs/dbraw/zinc/60/00/77/926600077.db2.gz CLRORCPWPXJPEF-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001420536660 926600085 /nfs/dbraw/zinc/60/00/85/926600085.db2.gz CLRORCPWPXJPEF-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001420577010 926600759 /nfs/dbraw/zinc/60/07/59/926600759.db2.gz PPSGENXVHRWXGI-UWVGGRQHSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001420577010 926600762 /nfs/dbraw/zinc/60/07/62/926600762.db2.gz PPSGENXVHRWXGI-UWVGGRQHSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1COC(=O)N1 ZINC001420576347 926600853 /nfs/dbraw/zinc/60/08/53/926600853.db2.gz PCVFZZFAQUGDMM-VHSXEESVSA-N 1 1 313.358 -1.444 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001420566887 926600905 /nfs/dbraw/zinc/60/09/05/926600905.db2.gz MVGKUKOHWBWNIC-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1cnnn1)Cc1cnnn1C ZINC001420564521 926600949 /nfs/dbraw/zinc/60/09/49/926600949.db2.gz KKGVAUGHXCJBOB-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)Cc1cnnn1C ZINC001420564521 926600952 /nfs/dbraw/zinc/60/09/52/926600952.db2.gz KKGVAUGHXCJBOB-UHFFFAOYSA-N 1 1 307.362 -1.170 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001420542597 926601035 /nfs/dbraw/zinc/60/10/35/926601035.db2.gz VUCOULCQRYRYAO-VIFPVBQESA-N 1 1 306.388 -2.022 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001420551398 926601501 /nfs/dbraw/zinc/60/15/01/926601501.db2.gz FXNUGFGIXNVDHU-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001420551398 926601506 /nfs/dbraw/zinc/60/15/06/926601506.db2.gz FXNUGFGIXNVDHU-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001420543553 926601605 /nfs/dbraw/zinc/60/16/05/926601605.db2.gz YQXUUMOVVDZCEH-SNVBAGLBSA-N 1 1 307.354 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420543006 926601653 /nfs/dbraw/zinc/60/16/53/926601653.db2.gz PFFINHHESZVAGJ-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001420543006 926601662 /nfs/dbraw/zinc/60/16/62/926601662.db2.gz PFFINHHESZVAGJ-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001420542590 926601840 /nfs/dbraw/zinc/60/18/40/926601840.db2.gz VUCOULCQRYRYAO-SECBINFHSA-N 1 1 306.388 -2.022 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001420572662 926602066 /nfs/dbraw/zinc/60/20/66/926602066.db2.gz FFBWFDFOHONIPX-ZJUUUORDSA-N 1 1 314.390 -1.495 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001420548169 926602109 /nfs/dbraw/zinc/60/21/09/926602109.db2.gz YGUQFIFIRDIPOA-UONOGXRCSA-N 1 1 324.425 -1.107 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001420553750 926602170 /nfs/dbraw/zinc/60/21/70/926602170.db2.gz FTEAOUGYEJOKGM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001420553750 926602174 /nfs/dbraw/zinc/60/21/74/926602174.db2.gz FTEAOUGYEJOKGM-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)CC1=O ZINC001420584634 926603161 /nfs/dbraw/zinc/60/31/61/926603161.db2.gz QYXANSKXPKUWPK-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420612612 926603240 /nfs/dbraw/zinc/60/32/40/926603240.db2.gz CQANHBMWGXUWSU-YUMQZZPRSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420612612 926603246 /nfs/dbraw/zinc/60/32/46/926603246.db2.gz CQANHBMWGXUWSU-YUMQZZPRSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001420589030 926603497 /nfs/dbraw/zinc/60/34/97/926603497.db2.gz FBGMWFXRRKSHOO-SNVBAGLBSA-N 1 1 321.381 -1.095 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001420589030 926603503 /nfs/dbraw/zinc/60/35/03/926603503.db2.gz FBGMWFXRRKSHOO-SNVBAGLBSA-N 1 1 321.381 -1.095 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420605653 926603541 /nfs/dbraw/zinc/60/35/41/926603541.db2.gz BKLYNJMAYDVYHR-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420605653 926603550 /nfs/dbraw/zinc/60/35/50/926603550.db2.gz BKLYNJMAYDVYHR-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001420612603 926603895 /nfs/dbraw/zinc/60/38/95/926603895.db2.gz CQANHBMWGXUWSU-HTQZYQBOSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001420612603 926603901 /nfs/dbraw/zinc/60/39/01/926603901.db2.gz CQANHBMWGXUWSU-HTQZYQBOSA-N 1 1 314.346 -2.440 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001420616985 926604352 /nfs/dbraw/zinc/60/43/52/926604352.db2.gz ZWHSBFANQLICFK-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001420609229 926604576 /nfs/dbraw/zinc/60/45/76/926604576.db2.gz HWNJQEOUNDXWNP-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001420609229 926604579 /nfs/dbraw/zinc/60/45/79/926604579.db2.gz HWNJQEOUNDXWNP-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nc2ncccn2n1 ZINC001420643262 926605490 /nfs/dbraw/zinc/60/54/90/926605490.db2.gz HFGDKUQLOHUQDS-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nc2ncccn2n1 ZINC001420643262 926605504 /nfs/dbraw/zinc/60/55/04/926605504.db2.gz HFGDKUQLOHUQDS-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO COc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001420651164 926605675 /nfs/dbraw/zinc/60/56/75/926605675.db2.gz YXXHJKLBVUGVCL-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001420651164 926605684 /nfs/dbraw/zinc/60/56/84/926605684.db2.gz YXXHJKLBVUGVCL-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420633018 926606030 /nfs/dbraw/zinc/60/60/30/926606030.db2.gz ACUARKOXXMRQJG-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)NC(N)=O ZINC001420640476 926606217 /nfs/dbraw/zinc/60/62/17/926606217.db2.gz BNBOVXAZARGYGD-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)NC(N)=O ZINC001420640476 926606223 /nfs/dbraw/zinc/60/62/23/926606223.db2.gz BNBOVXAZARGYGD-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001420652548 926606402 /nfs/dbraw/zinc/60/64/02/926606402.db2.gz DRCNNUXDGZZNKP-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001420652548 926606407 /nfs/dbraw/zinc/60/64/07/926606407.db2.gz DRCNNUXDGZZNKP-SECBINFHSA-N 1 1 322.431 -1.374 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001420633015 926606587 /nfs/dbraw/zinc/60/65/87/926606587.db2.gz ACUARKOXXMRQJG-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628290 926606937 /nfs/dbraw/zinc/60/69/37/926606937.db2.gz UEDHHKMKINWURU-BDAKNGLRSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628290 926606941 /nfs/dbraw/zinc/60/69/41/926606941.db2.gz UEDHHKMKINWURU-BDAKNGLRSA-N 1 1 309.374 -1.073 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](CCN1CCCC1=O)C1CC1 ZINC001420632066 926607075 /nfs/dbraw/zinc/60/70/75/926607075.db2.gz VOQSIIIMZKYBQK-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001420633048 926607125 /nfs/dbraw/zinc/60/71/25/926607125.db2.gz AGRODDZXWKDBBR-GFCCVEGCSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001420625769 926607177 /nfs/dbraw/zinc/60/71/77/926607177.db2.gz XUQPZXKDJBAXNA-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001420625769 926607182 /nfs/dbraw/zinc/60/71/82/926607182.db2.gz XUQPZXKDJBAXNA-SECBINFHSA-N 1 1 318.341 -1.407 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001420624228 926607219 /nfs/dbraw/zinc/60/72/19/926607219.db2.gz PHKCNMZLATWGNB-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001420624228 926607224 /nfs/dbraw/zinc/60/72/24/926607224.db2.gz PHKCNMZLATWGNB-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO COc1ncc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001420651163 926607433 /nfs/dbraw/zinc/60/74/33/926607433.db2.gz YXXHJKLBVUGVCL-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001420651163 926607437 /nfs/dbraw/zinc/60/74/37/926607437.db2.gz YXXHJKLBVUGVCL-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1cncn1 ZINC001420672863 926608318 /nfs/dbraw/zinc/60/83/18/926608318.db2.gz XCHFSTASFGRHHY-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420660729 926608817 /nfs/dbraw/zinc/60/88/17/926608817.db2.gz YFNSXBWCKKBQEY-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001420660729 926608823 /nfs/dbraw/zinc/60/88/23/926608823.db2.gz YFNSXBWCKKBQEY-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CCCO)C2CC2)c(=O)n(C)c1=O ZINC001420680462 926609252 /nfs/dbraw/zinc/60/92/52/926609252.db2.gz HWMKYRSHVZUMRW-UHFFFAOYSA-N 1 1 324.381 -1.339 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001420684862 926609983 /nfs/dbraw/zinc/60/99/83/926609983.db2.gz NWJJVSCFIUSIQF-MNOVXSKESA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001420684862 926609991 /nfs/dbraw/zinc/60/99/91/926609991.db2.gz NWJJVSCFIUSIQF-MNOVXSKESA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)c1cnn(C)c1N)c1nnnn1C ZINC001420713880 926610206 /nfs/dbraw/zinc/61/02/06/926610206.db2.gz KZHSFAOIUUYINM-MRVPVSSYSA-N 1 1 307.362 -1.051 20 0 DAADMO CCC[C@@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)S(N)(=O)=O ZINC001420704232 926610218 /nfs/dbraw/zinc/61/02/18/926610218.db2.gz HFEBFJKHKKNAEW-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001420704887 926610437 /nfs/dbraw/zinc/61/04/37/926610437.db2.gz VABZLNXBHQBTTF-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001420692545 926610803 /nfs/dbraw/zinc/61/08/03/926610803.db2.gz NPCSNORDDJPDAU-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001420692545 926610808 /nfs/dbraw/zinc/61/08/08/926610808.db2.gz NPCSNORDDJPDAU-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001420725967 926612797 /nfs/dbraw/zinc/61/27/97/926612797.db2.gz JRAUAQRIYNZWIJ-SECBINFHSA-N 1 1 311.346 -1.450 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)c1nccnc1N)C1CC1 ZINC001420715801 926613357 /nfs/dbraw/zinc/61/33/57/926613357.db2.gz HCHKXYMGUUQHOP-VIFPVBQESA-N 1 1 317.357 -1.120 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001420776184 926616592 /nfs/dbraw/zinc/61/65/92/926616592.db2.gz SOUPIKYZZSTRGJ-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001420790396 926616883 /nfs/dbraw/zinc/61/68/83/926616883.db2.gz PMIUYDRYFCKZSJ-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420799113 926617606 /nfs/dbraw/zinc/61/76/06/926617606.db2.gz MDBCNZXZIZHPHZ-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)c2ccccc2)NC1=O ZINC001420772939 926617730 /nfs/dbraw/zinc/61/77/30/926617730.db2.gz HHBCSPULSMULRP-RYUDHWBXSA-N 1 1 319.365 -1.058 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420838081 926618562 /nfs/dbraw/zinc/61/85/62/926618562.db2.gz WQXKANWASZLKDW-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420831401 926619582 /nfs/dbraw/zinc/61/95/82/926619582.db2.gz HLKQMFOVKLGMCH-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001420834905 926619663 /nfs/dbraw/zinc/61/96/63/926619663.db2.gz MJPUWKSYUZZJQJ-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001420834790 926620028 /nfs/dbraw/zinc/62/00/28/926620028.db2.gz PBMYCTVEDUVLRO-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@H+]1CCN1CCCC1=O ZINC001420834790 926620036 /nfs/dbraw/zinc/62/00/36/926620036.db2.gz PBMYCTVEDUVLRO-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001420863114 926620577 /nfs/dbraw/zinc/62/05/77/926620577.db2.gz JYGDIGDEQPOAJY-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420844016 926621065 /nfs/dbraw/zinc/62/10/65/926621065.db2.gz DBNAOIXHEVIKCA-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420844016 926621072 /nfs/dbraw/zinc/62/10/72/926621072.db2.gz DBNAOIXHEVIKCA-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420861454 926621188 /nfs/dbraw/zinc/62/11/88/926621188.db2.gz YYEMQNWIEDGVLW-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420861454 926621191 /nfs/dbraw/zinc/62/11/91/926621191.db2.gz YYEMQNWIEDGVLW-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001420862249 926621927 /nfs/dbraw/zinc/62/19/27/926621927.db2.gz HQUBQMHBDJDVHD-WDEREUQCSA-N 1 1 313.358 -2.220 20 0 DAADMO O=C(CCn1cnnn1)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420880581 926623268 /nfs/dbraw/zinc/62/32/68/926623268.db2.gz YGUDOTIRMJEPJG-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CCCS(N)(=O)=O)C1 ZINC001420875804 926623434 /nfs/dbraw/zinc/62/34/34/926623434.db2.gz UGEGEOBYZJYHAK-JTQLQIEISA-N 1 1 320.415 -1.631 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420865306 926623452 /nfs/dbraw/zinc/62/34/52/926623452.db2.gz BSEAVVHDNUFOOL-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001420882584 926623655 /nfs/dbraw/zinc/62/36/55/926623655.db2.gz FWPYYLAJMARSBT-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO NC(=O)NCCC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420892026 926625175 /nfs/dbraw/zinc/62/51/75/926625175.db2.gz RWJDHNQGGKNVEA-GHMZBOCLSA-N 1 1 311.386 -1.239 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001420897585 926626021 /nfs/dbraw/zinc/62/60/21/926626021.db2.gz IISYZFNBUZPLBU-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001420896836 926626170 /nfs/dbraw/zinc/62/61/70/926626170.db2.gz IOJGZJBTJHDPTO-UWVGGRQHSA-N 1 1 323.353 -1.613 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001420896836 926626176 /nfs/dbraw/zinc/62/61/76/926626176.db2.gz IOJGZJBTJHDPTO-UWVGGRQHSA-N 1 1 323.353 -1.613 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420916500 926628090 /nfs/dbraw/zinc/62/80/90/926628090.db2.gz YCNNWCHCFZHZEX-NEPJUHHUSA-N 1 1 323.401 -1.070 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@@H]3COC(=O)C3)CC2)nc1=O ZINC001420932015 926628311 /nfs/dbraw/zinc/62/83/11/926628311.db2.gz VOFFVXOWYMFKAF-VIFPVBQESA-N 1 1 323.353 -1.200 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001420960417 926629132 /nfs/dbraw/zinc/62/91/32/926629132.db2.gz ZQGNTGSAQIOHPN-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001420933476 926629167 /nfs/dbraw/zinc/62/91/67/926629167.db2.gz UGHUSJRKYYFTIY-SNVBAGLBSA-N 1 1 323.357 -1.747 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001420957353 926630412 /nfs/dbraw/zinc/63/04/12/926630412.db2.gz VTTUWTWIAMYXJQ-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001420957339 926630430 /nfs/dbraw/zinc/63/04/30/926630430.db2.gz VTTUWTWIAMYXJQ-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO Cn1cnc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001420932932 926630453 /nfs/dbraw/zinc/63/04/53/926630453.db2.gz UWHQHXBJYSEDMB-UHFFFAOYSA-N 1 1 306.330 -1.711 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001420934020 926630522 /nfs/dbraw/zinc/63/05/22/926630522.db2.gz ZNODTUHXKKNAJW-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001420987981 926631531 /nfs/dbraw/zinc/63/15/31/926631531.db2.gz UBYGFFVRWAPURH-MNOVXSKESA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001420987981 926631537 /nfs/dbraw/zinc/63/15/37/926631537.db2.gz UBYGFFVRWAPURH-MNOVXSKESA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@H]3CCC(=O)N3)CC2)nc1=O ZINC001420982083 926632228 /nfs/dbraw/zinc/63/22/28/926632228.db2.gz OPAKITYTKQWRFL-SECBINFHSA-N 1 1 322.369 -1.485 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001420987982 926632611 /nfs/dbraw/zinc/63/26/11/926632611.db2.gz UBYGFFVRWAPURH-QWRGUYRKSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001420987982 926632622 /nfs/dbraw/zinc/63/26/22/926632622.db2.gz UBYGFFVRWAPURH-QWRGUYRKSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001420989256 926632921 /nfs/dbraw/zinc/63/29/21/926632921.db2.gz BBUSABMOVBXMHZ-MRVPVSSYSA-N 1 1 309.330 -1.607 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001421048094 926637425 /nfs/dbraw/zinc/63/74/25/926637425.db2.gz XMUQOGJRTTXWOU-SECBINFHSA-N 1 1 302.350 -1.213 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001421055831 926640313 /nfs/dbraw/zinc/64/03/13/926640313.db2.gz YHQFJCSBBGUSML-LBPRGKRZSA-N 1 1 318.443 -1.180 20 0 DAADMO COC[C@H](O)CN1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001421086657 926642549 /nfs/dbraw/zinc/64/25/49/926642549.db2.gz WCQKOBLJDBCXAA-CQSZACIVSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001421092939 926642585 /nfs/dbraw/zinc/64/25/85/926642585.db2.gz OJGABNGWAUQDBK-AAEUAGOBSA-N 1 1 323.397 -1.010 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001421092941 926643613 /nfs/dbraw/zinc/64/36/13/926643613.db2.gz OJGABNGWAUQDBK-YPMHNXCESA-N 1 1 323.397 -1.010 20 0 DAADMO CCCC[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001421100175 926644767 /nfs/dbraw/zinc/64/47/67/926644767.db2.gz BOFZKUUTPNUQPO-LLVKDONJSA-N 1 1 309.374 -1.235 20 0 DAADMO CN(CC[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1)S(C)(=O)=O ZINC001421118670 926646765 /nfs/dbraw/zinc/64/67/65/926646765.db2.gz VYWWRMCBYIIJKZ-LBPRGKRZSA-N 1 1 319.427 -1.038 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001421149943 926650910 /nfs/dbraw/zinc/65/09/10/926650910.db2.gz PNZFTJOVQSXDSZ-NEPJUHHUSA-N 1 1 308.382 -1.161 20 0 DAADMO CCCC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001421173984 926651912 /nfs/dbraw/zinc/65/19/12/926651912.db2.gz OHCHTGVTQKRNPH-GHMZBOCLSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192645 926652063 /nfs/dbraw/zinc/65/20/63/926652063.db2.gz NRELUMAIZXXALD-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192645 926652070 /nfs/dbraw/zinc/65/20/70/926652070.db2.gz NRELUMAIZXXALD-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421185998 926652483 /nfs/dbraw/zinc/65/24/83/926652483.db2.gz BPMRJECQRLXETK-ZDUSSCGKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421185998 926652490 /nfs/dbraw/zinc/65/24/90/926652490.db2.gz BPMRJECQRLXETK-ZDUSSCGKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001421171510 926652963 /nfs/dbraw/zinc/65/29/63/926652963.db2.gz MXSDMLNPIOCEIO-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001421188010 926653005 /nfs/dbraw/zinc/65/30/05/926653005.db2.gz CAQIIJRWTAYFCC-FZMZJTMJSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421185992 926653110 /nfs/dbraw/zinc/65/31/10/926653110.db2.gz BPMRJECQRLXETK-CYBMUJFWSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421185992 926653115 /nfs/dbraw/zinc/65/31/15/926653115.db2.gz BPMRJECQRLXETK-CYBMUJFWSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)c1=O ZINC001421222075 926656567 /nfs/dbraw/zinc/65/65/67/926656567.db2.gz UBUVUEOAZPYLPO-AWEZNQCLSA-N 1 1 311.386 -1.065 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncn3nccc3c2=O)CC[N@@H+](CCO)C1 ZINC001421222253 926656805 /nfs/dbraw/zinc/65/68/05/926656805.db2.gz NWDXQXZQLHPVCK-CQSZACIVSA-N 1 1 320.353 -1.536 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421215600 926656845 /nfs/dbraw/zinc/65/68/45/926656845.db2.gz ZUMPOZZGJPWWOF-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421215600 926656852 /nfs/dbraw/zinc/65/68/52/926656852.db2.gz ZUMPOZZGJPWWOF-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001421220518 926657303 /nfs/dbraw/zinc/65/73/03/926657303.db2.gz IAXPUHSIZHECAW-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001421220518 926657312 /nfs/dbraw/zinc/65/73/12/926657312.db2.gz IAXPUHSIZHECAW-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001421299465 926659721 /nfs/dbraw/zinc/65/97/21/926659721.db2.gz CJDQJENYUUQQBT-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001421299465 926659730 /nfs/dbraw/zinc/65/97/30/926659730.db2.gz CJDQJENYUUQQBT-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300497 926659892 /nfs/dbraw/zinc/65/98/92/926659892.db2.gz JYXJYDXTECJPFX-DTWKUNHWSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300497 926659900 /nfs/dbraw/zinc/65/99/00/926659900.db2.gz JYXJYDXTECJPFX-DTWKUNHWSA-N 1 1 324.345 -2.211 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421290125 926660216 /nfs/dbraw/zinc/66/02/16/926660216.db2.gz SSJLAFFLDNHBRH-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421271841 926660337 /nfs/dbraw/zinc/66/03/37/926660337.db2.gz VJEHIGRORWZVNJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421271841 926660343 /nfs/dbraw/zinc/66/03/43/926660343.db2.gz VJEHIGRORWZVNJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300495 926660757 /nfs/dbraw/zinc/66/07/57/926660757.db2.gz JYXJYDXTECJPFX-BDAKNGLRSA-N 1 1 324.345 -2.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001421300495 926660763 /nfs/dbraw/zinc/66/07/63/926660763.db2.gz JYXJYDXTECJPFX-BDAKNGLRSA-N 1 1 324.345 -2.211 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001421318166 926661730 /nfs/dbraw/zinc/66/17/30/926661730.db2.gz IYJSFLFNGFPIAE-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001421318166 926661738 /nfs/dbraw/zinc/66/17/38/926661738.db2.gz IYJSFLFNGFPIAE-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320002 926662261 /nfs/dbraw/zinc/66/22/61/926662261.db2.gz PMVXWVLGMLOTDH-LKFCYVNXSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001421320002 926662265 /nfs/dbraw/zinc/66/22/65/926662265.db2.gz PMVXWVLGMLOTDH-LKFCYVNXSA-N 1 1 312.370 -1.064 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001421301536 926662645 /nfs/dbraw/zinc/66/26/45/926662645.db2.gz KZRSUIRZAHFZOB-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421313608 926662807 /nfs/dbraw/zinc/66/28/07/926662807.db2.gz UUWGWWLYBAMVOJ-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421313608 926662811 /nfs/dbraw/zinc/66/28/11/926662811.db2.gz UUWGWWLYBAMVOJ-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311698 926662829 /nfs/dbraw/zinc/66/28/29/926662829.db2.gz NJAYCJKITVOGET-ZJUUUORDSA-N 1 1 320.415 -1.538 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001421311698 926662830 /nfs/dbraw/zinc/66/28/30/926662830.db2.gz NJAYCJKITVOGET-ZJUUUORDSA-N 1 1 320.415 -1.538 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001421317212 926663069 /nfs/dbraw/zinc/66/30/69/926663069.db2.gz HDLJOKXPORSJRI-OCCSQVGLSA-N 1 1 312.370 -1.557 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421303124 926663541 /nfs/dbraw/zinc/66/35/41/926663541.db2.gz QEAHNEWRFFTLDT-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421303124 926663545 /nfs/dbraw/zinc/66/35/45/926663545.db2.gz QEAHNEWRFFTLDT-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421303122 926663590 /nfs/dbraw/zinc/66/35/90/926663590.db2.gz QEAHNEWRFFTLDT-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421303122 926663597 /nfs/dbraw/zinc/66/35/97/926663597.db2.gz QEAHNEWRFFTLDT-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001421330423 926664792 /nfs/dbraw/zinc/66/47/92/926664792.db2.gz OEBGQTBWYIBZBN-NOZJJQNGSA-N 1 1 300.359 -2.190 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001421337794 926665236 /nfs/dbraw/zinc/66/52/36/926665236.db2.gz KJTCIBKKIYNUJR-CMPLNLGQSA-N 1 1 324.399 -2.409 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001421337794 926665246 /nfs/dbraw/zinc/66/52/46/926665246.db2.gz KJTCIBKKIYNUJR-CMPLNLGQSA-N 1 1 324.399 -2.409 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)cn1 ZINC001421325475 926665685 /nfs/dbraw/zinc/66/56/85/926665685.db2.gz CSJHHXCMLCVIIT-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421331406 926665755 /nfs/dbraw/zinc/66/57/55/926665755.db2.gz OCGYCZKICJYIQU-FZMZJTMJSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421331406 926665762 /nfs/dbraw/zinc/66/57/62/926665762.db2.gz OCGYCZKICJYIQU-FZMZJTMJSA-N 1 1 307.354 -1.675 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)OC)C1 ZINC001421333975 926666087 /nfs/dbraw/zinc/66/60/87/926666087.db2.gz BGKBJLPXZIYJSL-ZWNOBZJWSA-N 1 1 303.359 -1.070 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]n1 ZINC001421337882 926666129 /nfs/dbraw/zinc/66/61/29/926666129.db2.gz LEIHIDXBCDSEFZ-BXUZGUMPSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]n1 ZINC001421337882 926666135 /nfs/dbraw/zinc/66/61/35/926666135.db2.gz LEIHIDXBCDSEFZ-BXUZGUMPSA-N 1 1 307.354 -1.227 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329355 926666282 /nfs/dbraw/zinc/66/62/82/926666282.db2.gz MCBNMHRZMYDRME-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccc(=O)[nH]n1 ZINC001421329355 926666288 /nfs/dbraw/zinc/66/62/88/926666288.db2.gz MCBNMHRZMYDRME-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccnc2)C1 ZINC001421331194 926666967 /nfs/dbraw/zinc/66/69/67/926666967.db2.gz PHSJMNJPMUIPQD-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnc2)C1 ZINC001421331194 926666975 /nfs/dbraw/zinc/66/69/75/926666975.db2.gz PHSJMNJPMUIPQD-AWEZNQCLSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCC2CC2)C1 ZINC001421343793 926667927 /nfs/dbraw/zinc/66/79/27/926667927.db2.gz XZKFKWHMECZADO-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCC2CC2)C1 ZINC001421343793 926667941 /nfs/dbraw/zinc/66/79/41/926667941.db2.gz XZKFKWHMECZADO-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)n1 ZINC001421345422 926668606 /nfs/dbraw/zinc/66/86/06/926668606.db2.gz FRWHDZSEZOACRA-GFCCVEGCSA-N 1 1 314.321 -2.101 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)n1 ZINC001421345422 926668618 /nfs/dbraw/zinc/66/86/18/926668618.db2.gz FRWHDZSEZOACRA-GFCCVEGCSA-N 1 1 314.321 -2.101 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001421343091 926668841 /nfs/dbraw/zinc/66/88/41/926668841.db2.gz DKZNKHXPGMOYPJ-HZMBPMFUSA-N 1 1 324.385 -1.470 20 0 DAADMO O=C(COCC1CC1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421339709 926669262 /nfs/dbraw/zinc/66/92/62/926669262.db2.gz OZTQIJZLBFTJBB-IUODEOHRSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(COCC1CC1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421339709 926669270 /nfs/dbraw/zinc/66/92/70/926669270.db2.gz OZTQIJZLBFTJBB-IUODEOHRSA-N 1 1 311.382 -1.146 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001421341801 926669830 /nfs/dbraw/zinc/66/98/30/926669830.db2.gz SDEKSIRJSFXAGH-QMTHXVAHSA-N 1 1 309.370 -1.149 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001421351852 926671765 /nfs/dbraw/zinc/67/17/65/926671765.db2.gz DBAKOTQKIVVFHF-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001421351852 926671776 /nfs/dbraw/zinc/67/17/76/926671776.db2.gz DBAKOTQKIVVFHF-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354954 926671895 /nfs/dbraw/zinc/67/18/95/926671895.db2.gz YZQCTKKBSGLQBS-ABAIWWIYSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001421354954 926671907 /nfs/dbraw/zinc/67/19/07/926671907.db2.gz YZQCTKKBSGLQBS-ABAIWWIYSA-N 1 1 321.381 -1.164 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421349889 926671978 /nfs/dbraw/zinc/67/19/78/926671978.db2.gz RMTPVIFLEIJDNG-XHDPSFHLSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421349889 926671994 /nfs/dbraw/zinc/67/19/94/926671994.db2.gz RMTPVIFLEIJDNG-XHDPSFHLSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356535 926672281 /nfs/dbraw/zinc/67/22/81/926672281.db2.gz PNKGUJUCLIDZMB-RISCZKNCSA-N 1 1 324.385 -1.520 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1)n1cncn1 ZINC001421356535 926672291 /nfs/dbraw/zinc/67/22/91/926672291.db2.gz PNKGUJUCLIDZMB-RISCZKNCSA-N 1 1 324.385 -1.520 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)c1 ZINC001421350321 926672515 /nfs/dbraw/zinc/67/25/15/926672515.db2.gz JEKFWIBJVAZEGM-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001421357634 926672657 /nfs/dbraw/zinc/67/26/57/926672657.db2.gz ORISGCWMBCXAEA-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO CC[N@@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)CCOC)C1 ZINC001421357045 926672695 /nfs/dbraw/zinc/67/26/95/926672695.db2.gz FFYMURLUIGZLBK-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)CCOC)C1 ZINC001421357045 926672699 /nfs/dbraw/zinc/67/26/99/926672699.db2.gz FFYMURLUIGZLBK-GFCCVEGCSA-N 1 1 308.400 -1.380 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001421357056 926672750 /nfs/dbraw/zinc/67/27/50/926672750.db2.gz FGZRHOMPYBPSEO-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001421357056 926672757 /nfs/dbraw/zinc/67/27/57/926672757.db2.gz FGZRHOMPYBPSEO-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001421357056 926672763 /nfs/dbraw/zinc/67/27/63/926672763.db2.gz FGZRHOMPYBPSEO-CYBMUJFWSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001421357436 926672967 /nfs/dbraw/zinc/67/29/67/926672967.db2.gz FGZRHOMPYBPSEO-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001421357436 926672972 /nfs/dbraw/zinc/67/29/72/926672972.db2.gz FGZRHOMPYBPSEO-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001421357436 926672983 /nfs/dbraw/zinc/67/29/83/926672983.db2.gz FGZRHOMPYBPSEO-ZDUSSCGKSA-N 1 1 323.357 -2.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001421356157 926673138 /nfs/dbraw/zinc/67/31/38/926673138.db2.gz YDQMNUQOLUMDDQ-XHDPSFHLSA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421351933 926673781 /nfs/dbraw/zinc/67/37/81/926673781.db2.gz DGULAXRKQAQFKP-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421351933 926673792 /nfs/dbraw/zinc/67/37/92/926673792.db2.gz DGULAXRKQAQFKP-AWEZNQCLSA-N 1 1 322.369 -1.740 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360530 926675167 /nfs/dbraw/zinc/67/51/67/926675167.db2.gz GEDIIWDYNUBELI-OTYXRUKQSA-N 1 1 323.353 -1.684 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001421360530 926675172 /nfs/dbraw/zinc/67/51/72/926675172.db2.gz GEDIIWDYNUBELI-OTYXRUKQSA-N 1 1 323.353 -1.684 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421362415 926675241 /nfs/dbraw/zinc/67/52/41/926675241.db2.gz ILMNVYKCQDMTPH-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421362415 926675247 /nfs/dbraw/zinc/67/52/47/926675247.db2.gz ILMNVYKCQDMTPH-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421360762 926675455 /nfs/dbraw/zinc/67/54/55/926675455.db2.gz NLMWFRMGTADLEK-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421360762 926675458 /nfs/dbraw/zinc/67/54/58/926675458.db2.gz NLMWFRMGTADLEK-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001421368913 926675584 /nfs/dbraw/zinc/67/55/84/926675584.db2.gz PAWAKVFLVUAUHL-XPTSAGLGSA-N 1 1 320.353 -1.100 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2OCCC3)C1 ZINC001421360751 926676753 /nfs/dbraw/zinc/67/67/53/926676753.db2.gz KDAPFPXCJUNXOK-CQSZACIVSA-N 1 1 323.353 -1.683 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2OCCC3)C1 ZINC001421360751 926676764 /nfs/dbraw/zinc/67/67/64/926676764.db2.gz KDAPFPXCJUNXOK-CQSZACIVSA-N 1 1 323.353 -1.683 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001421381410 926679162 /nfs/dbraw/zinc/67/91/62/926679162.db2.gz HZLPLLSDOXMZKB-RWSFTLGLSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001421381410 926679174 /nfs/dbraw/zinc/67/91/74/926679174.db2.gz HZLPLLSDOXMZKB-RWSFTLGLSA-N 1 1 324.381 -1.220 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421370317 926679853 /nfs/dbraw/zinc/67/98/53/926679853.db2.gz RUUNHKGYLJKCQU-XHDPSFHLSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421370317 926679866 /nfs/dbraw/zinc/67/98/66/926679866.db2.gz RUUNHKGYLJKCQU-XHDPSFHLSA-N 1 1 323.397 -1.302 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421370660 926679962 /nfs/dbraw/zinc/67/99/62/926679962.db2.gz FJHGPRFYKQWEHM-UHIISALHSA-N 1 1 322.369 -2.048 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421370655 926679999 /nfs/dbraw/zinc/67/99/99/926679999.db2.gz FJHGPRFYKQWEHM-SUNKGSAMSA-N 1 1 322.369 -2.048 20 0 DAADMO O=C(Cn1ncc2cccnc21)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001421370535 926680390 /nfs/dbraw/zinc/68/03/90/926680390.db2.gz GGQDLKMRSVUACL-HNNXBMFYSA-N 1 1 319.365 -1.023 20 0 DAADMO CC[C@H](CNC(=O)c1nnn(C)c1C)[NH2+]Cc1nnnn1C ZINC001421374258 926680767 /nfs/dbraw/zinc/68/07/67/926680767.db2.gz IHAMOZMSYYMSIE-SECBINFHSA-N 1 1 307.362 -1.055 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001421370684 926681127 /nfs/dbraw/zinc/68/11/27/926681127.db2.gz FMNCTRUCLBOXFJ-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001421370684 926681132 /nfs/dbraw/zinc/68/11/32/926681132.db2.gz FMNCTRUCLBOXFJ-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001421378118 926681185 /nfs/dbraw/zinc/68/11/85/926681185.db2.gz DZBTUZXUBBVBOJ-GWCFXTLKSA-N 1 1 300.359 -2.061 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001421372916 926681205 /nfs/dbraw/zinc/68/12/05/926681205.db2.gz CGJBKWRVFBZLAI-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC001421389028 926683409 /nfs/dbraw/zinc/68/34/09/926683409.db2.gz DQUJUBIXTJHHAU-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421383657 926683557 /nfs/dbraw/zinc/68/35/57/926683557.db2.gz BVRCHPSNNVRRPK-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421383657 926683568 /nfs/dbraw/zinc/68/35/68/926683568.db2.gz BVRCHPSNNVRRPK-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421383994 926683668 /nfs/dbraw/zinc/68/36/68/926683668.db2.gz PMKYCEJVCYVBEH-MDHDOXDCSA-N 1 1 311.382 -1.480 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421383994 926683682 /nfs/dbraw/zinc/68/36/82/926683682.db2.gz PMKYCEJVCYVBEH-MDHDOXDCSA-N 1 1 311.382 -1.480 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001421387629 926683942 /nfs/dbraw/zinc/68/39/42/926683942.db2.gz ZBBFNEUUDHSBJO-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001421387629 926683953 /nfs/dbraw/zinc/68/39/53/926683953.db2.gz ZBBFNEUUDHSBJO-CQSZACIVSA-N 1 1 307.354 -1.553 20 0 DAADMO COc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](C)O)C2)cnn1C ZINC001421391320 926684119 /nfs/dbraw/zinc/68/41/19/926684119.db2.gz HANAIHOIAJCAKE-HZMBPMFUSA-N 1 1 312.370 -1.024 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001421392958 926684235 /nfs/dbraw/zinc/68/42/35/926684235.db2.gz PAHQVFDZWRHIQH-XHDPSFHLSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001421392958 926684243 /nfs/dbraw/zinc/68/42/43/926684243.db2.gz PAHQVFDZWRHIQH-XHDPSFHLSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC001421389005 926684917 /nfs/dbraw/zinc/68/49/17/926684917.db2.gz DQUJUBIXTJHHAU-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389867 926685319 /nfs/dbraw/zinc/68/53/19/926685319.db2.gz FXLPZEHIAZFWNB-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389867 926685325 /nfs/dbraw/zinc/68/53/25/926685325.db2.gz FXLPZEHIAZFWNB-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)cnn1C ZINC001421395991 926686534 /nfs/dbraw/zinc/68/65/34/926686534.db2.gz LFOZIXRATGPIGR-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1nnc[nH]1 ZINC001421393393 926687069 /nfs/dbraw/zinc/68/70/69/926687069.db2.gz JLAPUXKGTCSXIF-AWEZNQCLSA-N 1 1 322.369 -1.406 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCN2CCCC2=O)C1)c1ncn[nH]1 ZINC001421393393 926687076 /nfs/dbraw/zinc/68/70/76/926687076.db2.gz JLAPUXKGTCSXIF-AWEZNQCLSA-N 1 1 322.369 -1.406 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCCC2=O)C1)c1ncn[nH]1 ZINC001421393393 926687084 /nfs/dbraw/zinc/68/70/84/926687084.db2.gz JLAPUXKGTCSXIF-AWEZNQCLSA-N 1 1 322.369 -1.406 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421403109 926687304 /nfs/dbraw/zinc/68/73/04/926687304.db2.gz CVNZAUBTZJMBLS-IINYFYTJSA-N 1 1 316.402 -1.385 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001421398997 926687415 /nfs/dbraw/zinc/68/74/15/926687415.db2.gz OJIJORRRECHJAB-XHDPSFHLSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001421398997 926687428 /nfs/dbraw/zinc/68/74/28/926687428.db2.gz OJIJORRRECHJAB-XHDPSFHLSA-N 1 1 324.381 -1.950 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421394003 926687764 /nfs/dbraw/zinc/68/77/64/926687764.db2.gz WTCOHHQKWGRVDD-HNNXBMFYSA-N 1 1 323.397 -1.301 20 0 DAADMO Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421394003 926687777 /nfs/dbraw/zinc/68/77/77/926687777.db2.gz WTCOHHQKWGRVDD-HNNXBMFYSA-N 1 1 323.397 -1.301 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421396812 926688238 /nfs/dbraw/zinc/68/82/38/926688238.db2.gz OFRPOMPGUJKGSN-FZMZJTMJSA-N 1 1 310.354 -1.350 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3ncccn3n2)C1 ZINC001421399774 926688737 /nfs/dbraw/zinc/68/87/37/926688737.db2.gz VDVWJXLOTMLPPL-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3ncccn3n2)C1 ZINC001421399774 926688743 /nfs/dbraw/zinc/68/87/43/926688743.db2.gz VDVWJXLOTMLPPL-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421394553 926688990 /nfs/dbraw/zinc/68/89/90/926688990.db2.gz UFMYZFAKJWPYOF-AWEZNQCLSA-N 1 1 309.370 -1.298 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421394553 926688998 /nfs/dbraw/zinc/68/89/98/926688998.db2.gz UFMYZFAKJWPYOF-AWEZNQCLSA-N 1 1 309.370 -1.298 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CC2CC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001421396319 926689015 /nfs/dbraw/zinc/68/90/15/926689015.db2.gz YZLLWCKNZPRFGU-DGCLKSJQSA-N 1 1 317.411 -1.359 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)c1 ZINC001421411400 926690010 /nfs/dbraw/zinc/69/00/10/926690010.db2.gz LPTQMAKOJFYDFW-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)c1 ZINC001421411400 926690020 /nfs/dbraw/zinc/69/00/20/926690020.db2.gz LPTQMAKOJFYDFW-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)[NH2+]Cc1nnnn1C ZINC001421410907 926690396 /nfs/dbraw/zinc/69/03/96/926690396.db2.gz SAXGTPBBOXHZKY-NSHDSACASA-N 1 1 309.374 -1.327 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)c1 ZINC001421411405 926691467 /nfs/dbraw/zinc/69/14/67/926691467.db2.gz LPTQMAKOJFYDFW-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)c1 ZINC001421411405 926691478 /nfs/dbraw/zinc/69/14/78/926691478.db2.gz LPTQMAKOJFYDFW-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001421419758 926695010 /nfs/dbraw/zinc/69/50/10/926695010.db2.gz ZRGXXPBVXZBQDB-TVQRCGJNSA-N 1 1 310.358 -1.965 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001421417548 926696024 /nfs/dbraw/zinc/69/60/24/926696024.db2.gz LLLCYZPLLHVVSE-GFCCVEGCSA-N 1 1 308.386 -1.428 20 0 DAADMO Cc1c(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)nnn1C ZINC001421429545 926699599 /nfs/dbraw/zinc/69/95/99/926699599.db2.gz XGCBSZNMJGFDME-LLVKDONJSA-N 1 1 309.370 -1.063 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)CC1=O ZINC001421438342 926702259 /nfs/dbraw/zinc/70/22/59/926702259.db2.gz FCEHRUXNYBZZEP-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nncn1C ZINC001421447775 926704884 /nfs/dbraw/zinc/70/48/84/926704884.db2.gz GERKFMILLFMJJW-GARJFASQSA-N 1 1 324.385 -1.168 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC1(O)C[NH+](CC(C)C)C1 ZINC001421459469 926706927 /nfs/dbraw/zinc/70/69/27/926706927.db2.gz SFMQHINXJXVPEI-UHFFFAOYSA-N 1 1 314.386 -1.942 20 0 DAADMO CC[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)[NH2+]Cc1cnon1 ZINC001421482613 926713853 /nfs/dbraw/zinc/71/38/53/926713853.db2.gz QTIMTBAFMBHSEZ-JTQLQIEISA-N 1 1 323.357 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2cnnn2C)C1 ZINC001421500147 926719418 /nfs/dbraw/zinc/71/94/18/926719418.db2.gz XHXMCTVPKBSHSZ-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001421562506 926724809 /nfs/dbraw/zinc/72/48/09/926724809.db2.gz OWBOVFBLNZYFBM-MMWGEVLESA-N 1 1 309.370 -1.678 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001421557980 926724848 /nfs/dbraw/zinc/72/48/48/926724848.db2.gz ACWSUTQDWZDMFI-OUAUKWLOSA-N 1 1 310.354 -1.379 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001421562192 926725338 /nfs/dbraw/zinc/72/53/38/926725338.db2.gz NZRCZFVREOCXPC-DBIOUOCHSA-N 1 1 312.370 -1.005 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001421557971 926725745 /nfs/dbraw/zinc/72/57/45/926725745.db2.gz ACWSUTQDWZDMFI-AXFHLTTASA-N 1 1 310.354 -1.379 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001421589484 926727125 /nfs/dbraw/zinc/72/71/25/926727125.db2.gz AWAZXRPLPJGOSU-BXUZGUMPSA-N 1 1 300.355 -1.125 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001421572647 926727243 /nfs/dbraw/zinc/72/72/43/926727243.db2.gz OBXNJDWMTCDILB-TXEJJXNPSA-N 1 1 312.370 -2.379 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CCOC1 ZINC001421579817 926727520 /nfs/dbraw/zinc/72/75/20/926727520.db2.gz SHCHSKRPUMOMHN-RWSFTLGLSA-N 1 1 324.381 -1.002 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001421564120 926727699 /nfs/dbraw/zinc/72/76/99/926727699.db2.gz SQVLGUCEZQMXIQ-WRWGMCAJSA-N 1 1 313.354 -1.508 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001421573978 926727745 /nfs/dbraw/zinc/72/77/45/926727745.db2.gz HHHMTZNLGXSQMS-XHNCKOQMSA-N 1 1 322.325 -1.343 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001421572018 926727920 /nfs/dbraw/zinc/72/79/20/926727920.db2.gz BHKHNRKCOKMERO-NNYUYHANSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1 ZINC001421574135 926728002 /nfs/dbraw/zinc/72/80/02/926728002.db2.gz UAKDDCPRBSQMHC-UTUOFQBUSA-N 1 1 319.427 -1.174 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)NC)C[C@H]2C1 ZINC001421577482 926728075 /nfs/dbraw/zinc/72/80/75/926728075.db2.gz YOPLWXLCMGUJKB-OUAUKWLOSA-N 1 1 311.386 -1.431 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001421589490 926728392 /nfs/dbraw/zinc/72/83/92/926728392.db2.gz AWAZXRPLPJGOSU-FZMZJTMJSA-N 1 1 300.355 -1.125 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1cn2c(n1)COCC2 ZINC001421605685 926729107 /nfs/dbraw/zinc/72/91/07/926729107.db2.gz BVFUARALUNFFPM-HNNXBMFYSA-N 1 1 324.381 -1.038 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cn[nH]n2)C1 ZINC001421606156 926730371 /nfs/dbraw/zinc/73/03/71/926730371.db2.gz FGEWCBGLTBCBEB-MFKMUULPSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001421606156 926730377 /nfs/dbraw/zinc/73/03/77/926730377.db2.gz FGEWCBGLTBCBEB-MFKMUULPSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001421606156 926730381 /nfs/dbraw/zinc/73/03/81/926730381.db2.gz FGEWCBGLTBCBEB-MFKMUULPSA-N 1 1 313.358 -1.631 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O)NC(N)=O ZINC001421607476 926732804 /nfs/dbraw/zinc/73/28/04/926732804.db2.gz BCNDAPZWKXKHHT-GMTAPVOTSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O)NC(N)=O ZINC001421607476 926732813 /nfs/dbraw/zinc/73/28/13/926732813.db2.gz BCNDAPZWKXKHHT-GMTAPVOTSA-N 1 1 311.386 -1.016 20 0 DAADMO Nc1nccnc1C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421610864 926733302 /nfs/dbraw/zinc/73/33/02/926733302.db2.gz TYDGKKDSNDGGMF-AWEZNQCLSA-N 1 1 309.370 -1.002 20 0 DAADMO Cn1nc(C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)ccc1=O ZINC001421609866 926733599 /nfs/dbraw/zinc/73/35/99/926733599.db2.gz GJJAQXSMBMORQB-OAHLLOKOSA-N 1 1 324.381 -1.281 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001421618228 926733637 /nfs/dbraw/zinc/73/36/37/926733637.db2.gz NWSVDPKMWGRNJS-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421616337 926733773 /nfs/dbraw/zinc/73/37/73/926733773.db2.gz SKBIDSPKMUTGSD-HNNXBMFYSA-N 1 1 312.414 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001421618230 926733829 /nfs/dbraw/zinc/73/38/29/926733829.db2.gz NWSVDPKMWGRNJS-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@@H+](CCCF)C1)[C@@H]1CNC(=O)N1 ZINC001421619958 926734123 /nfs/dbraw/zinc/73/41/23/926734123.db2.gz OKGMOCAFBFTLTN-GWCFXTLKSA-N 1 1 302.350 -1.030 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001421629087 926736491 /nfs/dbraw/zinc/73/64/91/926736491.db2.gz CVDUFIBYRCQFET-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627591 926736503 /nfs/dbraw/zinc/73/65/03/926736503.db2.gz WUKVORFOUTXOTO-BXUZGUMPSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627591 926736510 /nfs/dbraw/zinc/73/65/10/926736510.db2.gz WUKVORFOUTXOTO-BXUZGUMPSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001421629104 926737811 /nfs/dbraw/zinc/73/78/11/926737811.db2.gz CVDUFIBYRCQFET-SDDRHHMPSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001421670599 926741537 /nfs/dbraw/zinc/74/15/37/926741537.db2.gz KNHCUEFWEXLMQH-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)o1 ZINC001421690152 926745708 /nfs/dbraw/zinc/74/57/08/926745708.db2.gz LPRBCQKPAWWWNW-MRVPVSSYSA-N 1 1 308.346 -1.014 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001421711833 926747338 /nfs/dbraw/zinc/74/73/38/926747338.db2.gz RZBGNSLMHIYMNF-LLVKDONJSA-N 1 1 320.415 -1.733 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001421711833 926747352 /nfs/dbraw/zinc/74/73/52/926747352.db2.gz RZBGNSLMHIYMNF-LLVKDONJSA-N 1 1 320.415 -1.733 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421803914 926759946 /nfs/dbraw/zinc/75/99/46/926759946.db2.gz VERMPJCEQVZLLU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421803914 926759952 /nfs/dbraw/zinc/75/99/52/926759952.db2.gz VERMPJCEQVZLLU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001421805688 926760480 /nfs/dbraw/zinc/76/04/80/926760480.db2.gz IHUJXTKIQYEUHF-JTQLQIEISA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001421805688 926760494 /nfs/dbraw/zinc/76/04/94/926760494.db2.gz IHUJXTKIQYEUHF-JTQLQIEISA-N 1 1 309.388 -2.265 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809422 926761122 /nfs/dbraw/zinc/76/11/22/926761122.db2.gz QUKVHDNIHKKDRO-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809422 926761137 /nfs/dbraw/zinc/76/11/37/926761137.db2.gz QUKVHDNIHKKDRO-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001421805689 926762276 /nfs/dbraw/zinc/76/22/76/926762276.db2.gz IHUJXTKIQYEUHF-SNVBAGLBSA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001421805689 926762289 /nfs/dbraw/zinc/76/22/89/926762289.db2.gz IHUJXTKIQYEUHF-SNVBAGLBSA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001421822156 926763052 /nfs/dbraw/zinc/76/30/52/926763052.db2.gz DHPLZYPEVRLLPB-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421813279 926764512 /nfs/dbraw/zinc/76/45/12/926764512.db2.gz CJUMVXKIJKFEMU-PWSUYJOCSA-N 1 1 309.370 -1.109 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001421825142 926764885 /nfs/dbraw/zinc/76/48/85/926764885.db2.gz OFGJTJRLSDZFEH-JTQLQIEISA-N 1 1 313.358 -1.712 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H](C)n1cncn1 ZINC001421884560 926766323 /nfs/dbraw/zinc/76/63/23/926766323.db2.gz GJXKJKOYEQZBRF-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001421884558 926766543 /nfs/dbraw/zinc/76/65/43/926766543.db2.gz GJXKJKOYEQZBRF-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCF)CC1 ZINC001421837874 926767194 /nfs/dbraw/zinc/76/71/94/926767194.db2.gz YBWBDKQHWBJNMM-SNVBAGLBSA-N 1 1 310.395 -1.020 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001421893940 926768818 /nfs/dbraw/zinc/76/88/18/926768818.db2.gz HGVKVJLWXLQIOP-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1CCOCC1=O ZINC001421903985 926769851 /nfs/dbraw/zinc/76/98/51/926769851.db2.gz PDYBOOCJADQKPW-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001421903349 926769984 /nfs/dbraw/zinc/76/99/84/926769984.db2.gz UEQHZORYSFABQY-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001421919663 926773548 /nfs/dbraw/zinc/77/35/48/926773548.db2.gz SURVNOOBLKMGOW-QWRGUYRKSA-N 1 1 314.386 -1.225 20 0 DAADMO CC[C@@H](C(=O)N1CCC[C@@](CO)(NCC(N)=O)C1)[NH+](C)C ZINC001421982994 926777646 /nfs/dbraw/zinc/77/76/46/926777646.db2.gz FYHZHQLFWQEOPJ-SMDDNHRTSA-N 1 1 300.403 -1.245 20 0 DAADMO CC[C@H](C(=O)N1CCC[C@@](CO)(NCC(N)=O)C1)[NH+](C)C ZINC001421982899 926778399 /nfs/dbraw/zinc/77/83/99/926778399.db2.gz FYHZHQLFWQEOPJ-BXUZGUMPSA-N 1 1 300.403 -1.245 20 0 DAADMO CC[C@@H](C(=O)N1CCC[C@](CO)(NCC(N)=O)C1)[NH+](C)C ZINC001421982932 926778811 /nfs/dbraw/zinc/77/88/11/926778811.db2.gz FYHZHQLFWQEOPJ-FZMZJTMJSA-N 1 1 300.403 -1.245 20 0 DAADMO NC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001421974978 926779123 /nfs/dbraw/zinc/77/91/23/926779123.db2.gz ZPRNDCWAVXWDDT-BBRMVZONSA-N 1 1 324.425 -1.243 20 0 DAADMO CC(C)C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001422014709 926781068 /nfs/dbraw/zinc/78/10/68/926781068.db2.gz LMGCWHSCKJSSFD-MXWKQRLJSA-N 1 1 323.401 -1.048 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)c2cnn[nH]2)CCOCC1 ZINC001422000070 926781489 /nfs/dbraw/zinc/78/14/89/926781489.db2.gz GVZBWKIYOCRYNC-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C(=O)Nc1nccs1)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001422046422 926784411 /nfs/dbraw/zinc/78/44/11/926784411.db2.gz FPKBIJQKCCYABI-CSMHCCOUSA-N 1 1 311.367 -1.011 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnn(C)n1 ZINC001422089834 926787556 /nfs/dbraw/zinc/78/75/56/926787556.db2.gz GYDZKWPHEJTMAF-LLVKDONJSA-N 1 1 307.362 -1.268 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001422161482 926792303 /nfs/dbraw/zinc/79/23/03/926792303.db2.gz KSUQSMXBKVTQCY-QNWHQSFQSA-N 1 1 313.398 -1.369 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001422173390 926792510 /nfs/dbraw/zinc/79/25/10/926792510.db2.gz ILKWTHGMAROXIW-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001422173390 926792515 /nfs/dbraw/zinc/79/25/15/926792515.db2.gz ILKWTHGMAROXIW-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cnns1 ZINC001422150223 926792990 /nfs/dbraw/zinc/79/29/90/926792990.db2.gz ZKKZRARCHVVJFA-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cnns1 ZINC001422150223 926792994 /nfs/dbraw/zinc/79/29/94/926792994.db2.gz ZKKZRARCHVVJFA-UHFFFAOYSA-N 1 1 300.344 -1.263 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422146864 926793557 /nfs/dbraw/zinc/79/35/57/926793557.db2.gz CEPSJGOGJDIZKJ-QMMMGPOBSA-N 1 1 317.346 -1.684 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001422146864 926793574 /nfs/dbraw/zinc/79/35/74/926793574.db2.gz CEPSJGOGJDIZKJ-QMMMGPOBSA-N 1 1 317.346 -1.684 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001422161486 926793762 /nfs/dbraw/zinc/79/37/62/926793762.db2.gz KSUQSMXBKVTQCY-XQHKEYJVSA-N 1 1 313.398 -1.369 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001422161490 926794526 /nfs/dbraw/zinc/79/45/26/926794526.db2.gz KSUQSMXBKVTQCY-ZDEQEGDKSA-N 1 1 313.398 -1.369 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422185251 926795756 /nfs/dbraw/zinc/79/57/56/926795756.db2.gz UPXGVOKDJQDSBZ-QMMMGPOBSA-N 1 1 312.334 -2.353 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001422185251 926795767 /nfs/dbraw/zinc/79/57/67/926795767.db2.gz UPXGVOKDJQDSBZ-QMMMGPOBSA-N 1 1 312.334 -2.353 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001422193063 926796269 /nfs/dbraw/zinc/79/62/69/926796269.db2.gz HXTPRHFPYWXRSQ-QWRGUYRKSA-N 1 1 324.381 -1.903 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001422175684 926796837 /nfs/dbraw/zinc/79/68/37/926796837.db2.gz KTVHIPPJCUNZOE-UHFFFAOYSA-N 1 1 324.341 -1.358 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001422175684 926796844 /nfs/dbraw/zinc/79/68/44/926796844.db2.gz KTVHIPPJCUNZOE-UHFFFAOYSA-N 1 1 324.341 -1.358 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001422180227 926796963 /nfs/dbraw/zinc/79/69/63/926796963.db2.gz AREFEPXVUHSMAW-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001422180227 926796968 /nfs/dbraw/zinc/79/69/68/926796968.db2.gz AREFEPXVUHSMAW-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422181326 926797460 /nfs/dbraw/zinc/79/74/60/926797460.db2.gz GTPHZSIJABJZLL-RKDXNWHRSA-N 1 1 315.374 -1.529 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422181326 926797475 /nfs/dbraw/zinc/79/74/75/926797475.db2.gz GTPHZSIJABJZLL-RKDXNWHRSA-N 1 1 315.374 -1.529 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1ccncn1 ZINC001422193748 926800244 /nfs/dbraw/zinc/80/02/44/926800244.db2.gz RZILFCOFCIOKCX-GFCCVEGCSA-N 1 1 319.365 -1.078 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1CC1)C(=O)c1nnn(C)n1 ZINC001422198341 926800454 /nfs/dbraw/zinc/80/04/54/926800454.db2.gz NTCZFJLXSQYERR-UHFFFAOYSA-N 1 1 309.374 -1.260 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422198036 926800478 /nfs/dbraw/zinc/80/04/78/926800478.db2.gz RQVLAEUQQJHHMH-LLVKDONJSA-N 1 1 312.370 -2.046 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001422229032 926802029 /nfs/dbraw/zinc/80/20/29/926802029.db2.gz GBYVHKQUZBUHMF-JTQLQIEISA-N 1 1 312.374 -1.198 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422255724 926802431 /nfs/dbraw/zinc/80/24/31/926802431.db2.gz LVNUDLDAXIQORB-VQXHTEKXSA-N 1 1 311.386 -1.240 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422228377 926802620 /nfs/dbraw/zinc/80/26/20/926802620.db2.gz CQTXBPKJUYPJIR-SNVBAGLBSA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422228377 926802631 /nfs/dbraw/zinc/80/26/31/926802631.db2.gz CQTXBPKJUYPJIR-SNVBAGLBSA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001422248458 926802720 /nfs/dbraw/zinc/80/27/20/926802720.db2.gz WPCRETGLEXGUEW-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001422229094 926802887 /nfs/dbraw/zinc/80/28/87/926802887.db2.gz MLEKEPRLGAXKRK-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001422229094 926802897 /nfs/dbraw/zinc/80/28/97/926802897.db2.gz MLEKEPRLGAXKRK-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001422250842 926803558 /nfs/dbraw/zinc/80/35/58/926803558.db2.gz QIGLFPGKIJIXAR-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001422250842 926803571 /nfs/dbraw/zinc/80/35/71/926803571.db2.gz QIGLFPGKIJIXAR-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422228371 926803821 /nfs/dbraw/zinc/80/38/21/926803821.db2.gz CQTXBPKJUYPJIR-JTQLQIEISA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422228371 926803830 /nfs/dbraw/zinc/80/38/30/926803830.db2.gz CQTXBPKJUYPJIR-JTQLQIEISA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001422238065 926804323 /nfs/dbraw/zinc/80/43/23/926804323.db2.gz LLQZCCDQDYZRQR-LLVKDONJSA-N 1 1 310.354 -1.136 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001422264229 926805559 /nfs/dbraw/zinc/80/55/59/926805559.db2.gz KACHQPOZJUKNLG-GHMZBOCLSA-N 1 1 324.385 -1.548 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cocn1 ZINC001422267644 926805586 /nfs/dbraw/zinc/80/55/86/926805586.db2.gz SNCBZRQUBAHCCG-VIFPVBQESA-N 1 1 322.325 -1.323 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nnn1C ZINC001422272080 926805764 /nfs/dbraw/zinc/80/57/64/926805764.db2.gz JNLGJJAGBJXLRE-SNVBAGLBSA-N 1 1 308.346 -1.867 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001422267598 926806052 /nfs/dbraw/zinc/80/60/52/926806052.db2.gz SGJMNHZRFXVSNT-VIFPVBQESA-N 1 1 315.399 -1.061 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001422269269 926806689 /nfs/dbraw/zinc/80/66/89/926806689.db2.gz WBQJWZNSHIRATR-GFCCVEGCSA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)nn1 ZINC001422277132 926808812 /nfs/dbraw/zinc/80/88/12/926808812.db2.gz SIVBTLKBPQQFJP-RYUDHWBXSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001422272784 926809565 /nfs/dbraw/zinc/80/95/65/926809565.db2.gz LDTZUFAVSKDWPS-NSHDSACASA-N 1 1 307.358 -1.170 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001422273488 926809616 /nfs/dbraw/zinc/80/96/16/926809616.db2.gz GHGHUZBGAQILML-ONGXEEELSA-N 1 1 322.373 -1.077 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001422272782 926809737 /nfs/dbraw/zinc/80/97/37/926809737.db2.gz LDTZUFAVSKDWPS-LLVKDONJSA-N 1 1 307.358 -1.170 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn2cncn2)[nH]1 ZINC001422273390 926810000 /nfs/dbraw/zinc/81/00/00/926810000.db2.gz GHGHUZBGAQILML-GXSJLCMTSA-N 1 1 322.373 -1.077 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccncc1F ZINC001422278568 926810708 /nfs/dbraw/zinc/81/07/08/926810708.db2.gz UYXWUTKPHSBOOW-QMMMGPOBSA-N 1 1 309.305 -1.375 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001422280368 926811106 /nfs/dbraw/zinc/81/11/06/926811106.db2.gz AQOOLWDBGQMJGP-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1=O ZINC001422281328 926812755 /nfs/dbraw/zinc/81/27/55/926812755.db2.gz RDHKTECSXAXYAZ-JTQLQIEISA-N 1 1 310.358 -1.996 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)ncn1 ZINC001422282536 926813436 /nfs/dbraw/zinc/81/34/36/926813436.db2.gz NNZUPWCCTRRYAD-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)ncn1 ZINC001422282534 926813850 /nfs/dbraw/zinc/81/38/50/926813850.db2.gz NNZUPWCCTRRYAD-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001422289904 926814634 /nfs/dbraw/zinc/81/46/34/926814634.db2.gz ZSZOVQDXKAXSCJ-IUCAKERBSA-N 1 1 300.319 -2.808 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCn1cncn1 ZINC001422287566 926814724 /nfs/dbraw/zinc/81/47/24/926814724.db2.gz VZGDDUIYFBVNTE-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnnn1C ZINC001422291376 926815382 /nfs/dbraw/zinc/81/53/82/926815382.db2.gz CHCBQCJQYCDUTK-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001422287310 926815516 /nfs/dbraw/zinc/81/55/16/926815516.db2.gz MKCQFVNIAXQAHA-DTWKUNHWSA-N 1 1 311.346 -2.697 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cnnn1C ZINC001422291381 926815907 /nfs/dbraw/zinc/81/59/07/926815907.db2.gz CHCBQCJQYCDUTK-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001422288703 926816209 /nfs/dbraw/zinc/81/62/09/926816209.db2.gz PWNWOGQDGAFGNC-NXEZZACHSA-N 1 1 311.342 -1.665 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001422288355 926816496 /nfs/dbraw/zinc/81/64/96/926816496.db2.gz PLOCJEKZOFOAOD-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)c1nncn1C ZINC001422292191 926816913 /nfs/dbraw/zinc/81/69/13/926816913.db2.gz QXJRDWMPPBWZFC-DTWKUNHWSA-N 1 1 319.387 -2.013 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001422288965 926817063 /nfs/dbraw/zinc/81/70/63/926817063.db2.gz QZSTUXFJZDVSML-SNVBAGLBSA-N 1 1 308.346 -1.867 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)on1 ZINC001422300032 926818071 /nfs/dbraw/zinc/81/80/71/926818071.db2.gz QXTPGMXERJBFEQ-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001422295997 926818176 /nfs/dbraw/zinc/81/81/76/926818176.db2.gz YQWZQLBFODEIKH-UWVGGRQHSA-N 1 1 300.363 -1.237 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)C1=CCOCC1 ZINC001422295039 926818323 /nfs/dbraw/zinc/81/83/23/926818323.db2.gz GYXAUWGHCIQGAD-GFCCVEGCSA-N 1 1 322.369 -1.079 20 0 DAADMO C[C@H](NC(=O)CS(C)(=O)=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422295291 926818511 /nfs/dbraw/zinc/81/85/11/926818511.db2.gz HQTPAXIWIMPHKZ-YUMQZZPRSA-N 1 1 304.376 -1.763 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2CN(C(C)=O)C2)n1 ZINC001422296729 926819082 /nfs/dbraw/zinc/81/90/82/926819082.db2.gz KYUBYFXFKAEJSV-ZDUSSCGKSA-N 1 1 324.385 -1.657 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2nncn2C)CC[N@H+]1C ZINC001422307479 926821666 /nfs/dbraw/zinc/82/16/66/926821666.db2.gz FBTDWLYVHVOFFX-IJLUTSLNSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnnn2C)CC[N@@H+]1C ZINC001422314501 926824704 /nfs/dbraw/zinc/82/47/04/926824704.db2.gz JUVXSPSKJAKFCR-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cnnn2C)CC[N@H+]1C ZINC001422314501 926824716 /nfs/dbraw/zinc/82/47/16/926824716.db2.gz JUVXSPSKJAKFCR-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001422312615 926825422 /nfs/dbraw/zinc/82/54/22/926825422.db2.gz KSCWXJNKPQJJMQ-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422311342 926825455 /nfs/dbraw/zinc/82/54/55/926825455.db2.gz LOTYUIZWOXZYDP-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001422314469 926826235 /nfs/dbraw/zinc/82/62/35/926826235.db2.gz NTDVFZJWNILKTK-WDEREUQCSA-N 1 1 313.358 -1.813 20 0 DAADMO C[C@H](NC(=O)CCn1cncn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422320315 926827227 /nfs/dbraw/zinc/82/72/27/926827227.db2.gz VEBIIBFILLWPNV-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)ncn1 ZINC001422318858 926828079 /nfs/dbraw/zinc/82/80/79/926828079.db2.gz VQSRBNIGVUPHHH-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CCn1cncn1 ZINC001422320351 926828497 /nfs/dbraw/zinc/82/84/97/926828497.db2.gz VEBIIBFILLWPNV-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@@H](NC(=O)CCn1cncn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422320334 926829140 /nfs/dbraw/zinc/82/91/40/926829140.db2.gz VEBIIBFILLWPNV-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001422326372 926830436 /nfs/dbraw/zinc/83/04/36/926830436.db2.gz KDKLUEOSCNSNLQ-VHSXEESVSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001422325587 926830740 /nfs/dbraw/zinc/83/07/40/926830740.db2.gz MPQJFNDTBCCIQJ-YUMQZZPRSA-N 1 1 316.387 -1.763 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)NC1CCCCC1 ZINC001422330091 926830768 /nfs/dbraw/zinc/83/07/68/926830768.db2.gz PLRRIGWGNZJPLW-NSHDSACASA-N 1 1 324.385 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(CCF)CC1 ZINC001422326579 926830863 /nfs/dbraw/zinc/83/08/63/926830863.db2.gz HSYCGCRPCLUGBP-SECBINFHSA-N 1 1 300.338 -1.083 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001422328650 926831014 /nfs/dbraw/zinc/83/10/14/926831014.db2.gz MPJBPRRSFQLTNI-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001422328934 926831084 /nfs/dbraw/zinc/83/10/84/926831084.db2.gz XFBDHTOGDOYDDY-UWVGGRQHSA-N 1 1 312.374 -1.704 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)c1cnc[nH]c1=O ZINC001422328882 926832113 /nfs/dbraw/zinc/83/21/13/926832113.db2.gz MXINMVNUJCYYMP-SECBINFHSA-N 1 1 304.310 -1.147 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001422326364 926832174 /nfs/dbraw/zinc/83/21/74/926832174.db2.gz KDKLUEOSCNSNLQ-NXEZZACHSA-N 1 1 310.358 -1.950 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)c1[nH]nc2c1CCC2 ZINC001422324902 926832606 /nfs/dbraw/zinc/83/26/06/926832606.db2.gz FIGCQUYSIXJPGK-GZMMTYOYSA-N 1 1 307.354 -1.533 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001422328643 926832932 /nfs/dbraw/zinc/83/29/32/926832932.db2.gz MPJBPRRSFQLTNI-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)c1cnn[nH]1 ZINC001422334379 926833625 /nfs/dbraw/zinc/83/36/25/926833625.db2.gz WUVWYAZBAHWEAQ-ZJUUUORDSA-N 1 1 310.358 -1.599 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001422334091 926833974 /nfs/dbraw/zinc/83/39/74/926833974.db2.gz DXQSHRAVBUWSEZ-GXSJLCMTSA-N 1 1 311.342 -1.434 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCCC(=O)N1 ZINC001422333740 926834856 /nfs/dbraw/zinc/83/48/56/926834856.db2.gz SFJWRVMEKCYSCV-WDEREUQCSA-N 1 1 307.354 -1.288 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)[C@H]1CCCC(=O)N1 ZINC001422333737 926834930 /nfs/dbraw/zinc/83/49/30/926834930.db2.gz SFJWRVMEKCYSCV-GHMZBOCLSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001422339463 926837067 /nfs/dbraw/zinc/83/70/67/926837067.db2.gz BZEVSQRNIFTGPO-QMMMGPOBSA-N 1 1 310.314 -1.302 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nc1 ZINC001422342692 926839199 /nfs/dbraw/zinc/83/91/99/926839199.db2.gz OVSRCZMMTAHXGH-VXGBXAGGSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccncc1 ZINC001422344259 926840250 /nfs/dbraw/zinc/84/02/50/926840250.db2.gz JHOWYXUAXUNCOW-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001422345443 926840912 /nfs/dbraw/zinc/84/09/12/926840912.db2.gz KOAIOFKFBBJLJE-GFCCVEGCSA-N 1 1 321.385 -1.105 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001422343341 926841379 /nfs/dbraw/zinc/84/13/79/926841379.db2.gz KLQWBXXZUAAFPC-UWVGGRQHSA-N 1 1 311.346 -2.454 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001422348897 926841594 /nfs/dbraw/zinc/84/15/94/926841594.db2.gz ZRRMYFQXKOKXRW-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCn1ccnc1 ZINC001422352430 926843758 /nfs/dbraw/zinc/84/37/58/926843758.db2.gz TWJCSVNVEZKJRA-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)ccc2=O)n1 ZINC001422352676 926844136 /nfs/dbraw/zinc/84/41/36/926844136.db2.gz UUJJNVVSVSAVNJ-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1ncc(CNC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001422349553 926845923 /nfs/dbraw/zinc/84/59/23/926845923.db2.gz KXRADFHOFARNGD-QWHCGFSZSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001422349550 926846205 /nfs/dbraw/zinc/84/62/05/926846205.db2.gz KXRADFHOFARNGD-CHWSQXEVSA-N 1 1 310.402 -1.041 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001422358252 926848100 /nfs/dbraw/zinc/84/81/00/926848100.db2.gz BLQQDJDKJUAPEB-WDEREUQCSA-N 1 1 323.401 -1.770 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001422360881 926849888 /nfs/dbraw/zinc/84/98/88/926849888.db2.gz LHQFTXWUIVLRHK-NWDGAFQWSA-N 1 1 309.370 -1.042 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001422374848 926854379 /nfs/dbraw/zinc/85/43/79/926854379.db2.gz QSIGIMMIVPMUMK-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001422374848 926854394 /nfs/dbraw/zinc/85/43/94/926854394.db2.gz QSIGIMMIVPMUMK-MNOVXSKESA-N 1 1 324.385 -1.257 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cccnn1 ZINC001422376493 926855224 /nfs/dbraw/zinc/85/52/24/926855224.db2.gz FJLWHMNTRZIZGD-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001422373396 926857264 /nfs/dbraw/zinc/85/72/64/926857264.db2.gz BXSKDZMPQZKKDC-JQWIXIFHSA-N 1 1 311.386 -1.257 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ncn[nH]1 ZINC001422386194 926858415 /nfs/dbraw/zinc/85/84/15/926858415.db2.gz SSYVPVHXVWXTCE-GHMZBOCLSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1nc[nH]n1 ZINC001422386194 926858431 /nfs/dbraw/zinc/85/84/31/926858431.db2.gz SSYVPVHXVWXTCE-GHMZBOCLSA-N 1 1 322.369 -1.362 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)n1 ZINC001422386737 926859168 /nfs/dbraw/zinc/85/91/68/926859168.db2.gz QEYKHIUGDMKEJN-SNVBAGLBSA-N 1 1 320.357 -1.080 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CCn1cnnn1 ZINC001422384811 926859259 /nfs/dbraw/zinc/85/92/59/926859259.db2.gz WBNOZKBCNOGTOB-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCC(C)CC1 ZINC001422391313 926859354 /nfs/dbraw/zinc/85/93/54/926859354.db2.gz XSENILHZECWGDN-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)c[nH]1 ZINC001422391500 926860250 /nfs/dbraw/zinc/86/02/50/926860250.db2.gz YUSJESCSNRXMHB-LLVKDONJSA-N 1 1 320.353 -1.308 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cncn1C)c1nncn1C ZINC001422397077 926862032 /nfs/dbraw/zinc/86/20/32/926862032.db2.gz KCBCXWYTKDDQQT-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001422403389 926865024 /nfs/dbraw/zinc/86/50/24/926865024.db2.gz TWMCWCNXONHXQG-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cn2ccccc2=O)n1 ZINC001422406619 926865943 /nfs/dbraw/zinc/86/59/43/926865943.db2.gz JUOVXLYYHMILRF-LBPRGKRZSA-N 1 1 320.353 -1.756 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001422403191 926866734 /nfs/dbraw/zinc/86/67/34/926866734.db2.gz LGWUZLBXZCYPIZ-WCQYABFASA-N 1 1 312.414 -1.184 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001422407663 926866820 /nfs/dbraw/zinc/86/68/20/926866820.db2.gz HXKWQJHANMERQU-VIFPVBQESA-N 1 1 320.357 -1.557 20 0 DAADMO Cn1cc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001422406120 926866938 /nfs/dbraw/zinc/86/69/38/926866938.db2.gz XDAAOCBUPQOCMG-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cnnc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422406139 926867339 /nfs/dbraw/zinc/86/73/39/926867339.db2.gz XECVDLYDJJZTIN-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422407628 926867690 /nfs/dbraw/zinc/86/76/90/926867690.db2.gz HXKWQJHANMERQU-SECBINFHSA-N 1 1 320.357 -1.557 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001422403325 926867862 /nfs/dbraw/zinc/86/78/62/926867862.db2.gz LOEPUKKTPJBHGM-QWHCGFSZSA-N 1 1 322.413 -1.072 20 0 DAADMO Cn1cnnc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422406142 926867890 /nfs/dbraw/zinc/86/78/90/926867890.db2.gz XECVDLYDJJZTIN-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422404987 926868059 /nfs/dbraw/zinc/86/80/59/926868059.db2.gz RUWDUVSFOFMWOE-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2ccon2)C1 ZINC001422419881 926869053 /nfs/dbraw/zinc/86/90/53/926869053.db2.gz ZGPKHLLQKHALDR-QWHCGFSZSA-N 1 1 312.370 -1.038 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNCc2ccon2)C1 ZINC001422419881 926869062 /nfs/dbraw/zinc/86/90/62/926869062.db2.gz ZGPKHLLQKHALDR-QWHCGFSZSA-N 1 1 312.370 -1.038 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)Cn1cnnn1 ZINC001422456517 926873115 /nfs/dbraw/zinc/87/31/15/926873115.db2.gz RIGAJZUUPOYOIQ-SNVBAGLBSA-N 1 1 319.373 -1.031 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001422432346 926873427 /nfs/dbraw/zinc/87/34/27/926873427.db2.gz KFFUFYVUYSGMQG-YUMQZZPRSA-N 1 1 305.360 -1.398 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N1CCCC1 ZINC001422477850 926874896 /nfs/dbraw/zinc/87/48/96/926874896.db2.gz KSMPCNVZUIPZEC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N1CCCC1 ZINC001422477850 926874903 /nfs/dbraw/zinc/87/49/03/926874903.db2.gz KSMPCNVZUIPZEC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001422482338 926875861 /nfs/dbraw/zinc/87/58/61/926875861.db2.gz OWFOJGVWXXOGMY-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001422482338 926875871 /nfs/dbraw/zinc/87/58/71/926875871.db2.gz OWFOJGVWXXOGMY-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)c1cnns1)[N@H+](C)CC(=O)NC(N)=O ZINC001422473422 926875943 /nfs/dbraw/zinc/87/59/43/926875943.db2.gz JHPULDIMSWXUCD-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](CNC(=O)c1cnns1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422473422 926875955 /nfs/dbraw/zinc/87/59/55/926875955.db2.gz JHPULDIMSWXUCD-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)[N@H+](C)CC(=O)NC(N)=O ZINC001422493590 926879138 /nfs/dbraw/zinc/87/91/38/926879138.db2.gz DBOWMDMJRUHHSQ-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422493590 926879156 /nfs/dbraw/zinc/87/91/56/926879156.db2.gz DBOWMDMJRUHHSQ-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@H+](C)[C@@H](C)C(N)=O ZINC001422533673 926883401 /nfs/dbraw/zinc/88/34/01/926883401.db2.gz YXZXQFCQGDEDMS-MNOVXSKESA-N 1 1 313.402 -1.929 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001422533673 926883412 /nfs/dbraw/zinc/88/34/12/926883412.db2.gz YXZXQFCQGDEDMS-MNOVXSKESA-N 1 1 313.402 -1.929 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001422525837 926884225 /nfs/dbraw/zinc/88/42/25/926884225.db2.gz TXYOWSOGEZIMQG-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001422525837 926884236 /nfs/dbraw/zinc/88/42/36/926884236.db2.gz TXYOWSOGEZIMQG-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@H](CNC(=O)c1cn[nH]n1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532349 926884478 /nfs/dbraw/zinc/88/44/78/926884478.db2.gz SKNOAAVRLNGNNV-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532349 926884490 /nfs/dbraw/zinc/88/44/90/926884490.db2.gz SKNOAAVRLNGNNV-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001422532349 926884500 /nfs/dbraw/zinc/88/45/00/926884500.db2.gz SKNOAAVRLNGNNV-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CCn1cncn1 ZINC001422527983 926884672 /nfs/dbraw/zinc/88/46/72/926884672.db2.gz IZLNPUBDANYFQN-NSHDSACASA-N 1 1 322.373 -1.690 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001422559679 926886322 /nfs/dbraw/zinc/88/63/22/926886322.db2.gz NXIVJYKOELNPOQ-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001422559679 926886340 /nfs/dbraw/zinc/88/63/40/926886340.db2.gz NXIVJYKOELNPOQ-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO C[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@H+](C)CC(N)=O ZINC001422593174 926886609 /nfs/dbraw/zinc/88/66/09/926886609.db2.gz ZDQOLDQPXTYDNT-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CC(N)=O ZINC001422593174 926886627 /nfs/dbraw/zinc/88/66/27/926886627.db2.gz ZDQOLDQPXTYDNT-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001422597306 926886648 /nfs/dbraw/zinc/88/66/48/926886648.db2.gz FJFUDIGJYGMKFA-NXEZZACHSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001422556528 926887339 /nfs/dbraw/zinc/88/73/39/926887339.db2.gz CEXBTBNIRVLENT-UWVGGRQHSA-N 1 1 323.357 -1.687 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)CCN1CCNC1=O ZINC001422575317 926887814 /nfs/dbraw/zinc/88/78/14/926887814.db2.gz TXMWNAXHPNZZHY-LLVKDONJSA-N 1 1 324.389 -1.475 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001422556247 926888009 /nfs/dbraw/zinc/88/80/09/926888009.db2.gz XQQITCBXGQITDU-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001422556247 926888027 /nfs/dbraw/zinc/88/80/27/926888027.db2.gz XQQITCBXGQITDU-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001422556251 926889191 /nfs/dbraw/zinc/88/91/91/926889191.db2.gz XQQITCBXGQITDU-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001422556251 926889202 /nfs/dbraw/zinc/88/92/02/926889202.db2.gz XQQITCBXGQITDU-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001422600967 926890130 /nfs/dbraw/zinc/89/01/30/926890130.db2.gz NMPSJLZBEWHWNH-WDEREUQCSA-N 1 1 310.402 -1.003 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001422605129 926890355 /nfs/dbraw/zinc/89/03/55/926890355.db2.gz OLNAGRKFJFEISQ-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001422601801 926891042 /nfs/dbraw/zinc/89/10/42/926891042.db2.gz HTYGSYPZEMEFSX-BDAKNGLRSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001422601801 926891057 /nfs/dbraw/zinc/89/10/57/926891057.db2.gz HTYGSYPZEMEFSX-BDAKNGLRSA-N 1 1 312.374 -1.799 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cn(C)nn1 ZINC001422612815 926894532 /nfs/dbraw/zinc/89/45/32/926894532.db2.gz HJRKROBIUJYJJN-SECBINFHSA-N 1 1 307.362 -1.434 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001422617895 926895452 /nfs/dbraw/zinc/89/54/52/926895452.db2.gz VVIDONGTRXWLSQ-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CC[C@H]2CCOC2)C1 ZINC001422621976 926895637 /nfs/dbraw/zinc/89/56/37/926895637.db2.gz RSIAVSUQFLQFEX-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001422641506 926900448 /nfs/dbraw/zinc/90/04/48/926900448.db2.gz WQKQKICVBJLVDY-IUCAKERBSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)NC1(CCO)CN(CCO)C1 ZINC001422645980 926901304 /nfs/dbraw/zinc/90/13/04/926901304.db2.gz HYDSWVKBDWFZES-CYBMUJFWSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001422656953 926905068 /nfs/dbraw/zinc/90/50/68/926905068.db2.gz STJUNOHXAYPNTF-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO CCCCn1nnnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001422694795 926906496 /nfs/dbraw/zinc/90/64/96/926906496.db2.gz CYJHZELHEDZGSQ-VHSXEESVSA-N 1 1 324.389 -1.251 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(CC(=O)NC3CC3)C2)C1 ZINC001422656690 926906546 /nfs/dbraw/zinc/90/65/46/926906546.db2.gz PKIWCLIDSJCICB-GFCCVEGCSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001422656290 926906564 /nfs/dbraw/zinc/90/65/64/926906564.db2.gz MBUYEOFQZJDQIZ-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1)NC(N)=O ZINC001422726022 926907889 /nfs/dbraw/zinc/90/78/89/926907889.db2.gz JCLLNZNIBNNOSZ-ZJUUUORDSA-N 1 1 313.402 -1.042 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)n1 ZINC001422704549 926909394 /nfs/dbraw/zinc/90/93/94/926909394.db2.gz RNFKAPXHYPGUDH-NSHDSACASA-N 1 1 323.401 -1.676 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)Cc1nnc[nH]1 ZINC001422730615 926910933 /nfs/dbraw/zinc/91/09/33/926910933.db2.gz GAJWIKSPMZMCKE-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)CCNC(N)=O ZINC001422740501 926911253 /nfs/dbraw/zinc/91/12/53/926911253.db2.gz CIIWNOAMGJRJGR-QMMMGPOBSA-N 1 1 310.362 -1.339 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422732548 926911533 /nfs/dbraw/zinc/91/15/33/926911533.db2.gz QQOJSTTUPGISIO-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001422747133 926915007 /nfs/dbraw/zinc/91/50/07/926915007.db2.gz NBOYJRGDINBKKF-DTWKUNHWSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001422753821 926915133 /nfs/dbraw/zinc/91/51/33/926915133.db2.gz PYAZYGYBGIJEKM-GXSJLCMTSA-N 1 1 311.386 -1.240 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001422808201 926916476 /nfs/dbraw/zinc/91/64/76/926916476.db2.gz LJULHJXADRTLKA-KKOKHZNYSA-N 1 1 319.427 -1.400 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001422800318 926916570 /nfs/dbraw/zinc/91/65/70/926916570.db2.gz AAAHQLIXYSTZRG-KKOKHZNYSA-N 1 1 314.386 -1.783 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001422807026 926916744 /nfs/dbraw/zinc/91/67/44/926916744.db2.gz OWSZMSVBRXIKHH-CNDDSTCGSA-N 1 1 310.398 -1.057 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001422795986 926917880 /nfs/dbraw/zinc/91/78/80/926917880.db2.gz LDEFEKWODHKSNX-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001422795986 926917888 /nfs/dbraw/zinc/91/78/88/926917888.db2.gz LDEFEKWODHKSNX-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001422829038 926919589 /nfs/dbraw/zinc/91/95/89/926919589.db2.gz ORJSQQHOHPTPLI-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830174 926919611 /nfs/dbraw/zinc/91/96/11/926919611.db2.gz PILLLKQOYHPHGR-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001422830174 926919620 /nfs/dbraw/zinc/91/96/20/926919620.db2.gz PILLLKQOYHPHGR-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422830166 926919649 /nfs/dbraw/zinc/91/96/49/926919649.db2.gz PILLLKQOYHPHGR-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422830166 926919657 /nfs/dbraw/zinc/91/96/57/926919657.db2.gz PILLLKQOYHPHGR-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001422817615 926920119 /nfs/dbraw/zinc/92/01/19/926920119.db2.gz ZQNPOBPHGXCOQY-MWLCHTKSSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001422817615 926920131 /nfs/dbraw/zinc/92/01/31/926920131.db2.gz ZQNPOBPHGXCOQY-MWLCHTKSSA-N 1 1 302.375 -1.105 20 0 DAADMO Cn1ccnc1COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001422829557 926920233 /nfs/dbraw/zinc/92/02/33/926920233.db2.gz IGNISBWYGGHUPJ-CNDDSTCGSA-N 1 1 321.381 -1.284 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820198 926920556 /nfs/dbraw/zinc/92/05/56/926920556.db2.gz AQPAORIVQUCOCP-VHSXEESVSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820198 926920561 /nfs/dbraw/zinc/92/05/61/926920561.db2.gz AQPAORIVQUCOCP-VHSXEESVSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cccn2nnnc12 ZINC001422827065 926920615 /nfs/dbraw/zinc/92/06/15/926920615.db2.gz XDSOYNCISZNQNM-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccn2nnnc12 ZINC001422827065 926920619 /nfs/dbraw/zinc/92/06/19/926920619.db2.gz XDSOYNCISZNQNM-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001422821246 926920689 /nfs/dbraw/zinc/92/06/89/926920689.db2.gz BRYFSOMCWARNLA-ZDEQEGDKSA-N 1 1 323.397 -1.089 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001422824212 926920726 /nfs/dbraw/zinc/92/07/26/926920726.db2.gz WQMDGKOOMXJRQQ-YIYPIFLZSA-N 1 1 322.409 -1.011 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001422837385 926921288 /nfs/dbraw/zinc/92/12/88/926921288.db2.gz NFQCBRLCIUKZRD-CNDDSTCGSA-N 1 1 323.397 -2.460 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001422833297 926921971 /nfs/dbraw/zinc/92/19/71/926921971.db2.gz SUBOEIHHBZSSLG-CNDDSTCGSA-N 1 1 322.365 -1.111 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)O ZINC001422855082 926924342 /nfs/dbraw/zinc/92/43/42/926924342.db2.gz JZQROLXXMVUXMZ-NXEZZACHSA-N 1 1 302.375 -1.944 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422868712 926924575 /nfs/dbraw/zinc/92/45/75/926924575.db2.gz OQJAVSOAFHIJCN-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422868712 926924584 /nfs/dbraw/zinc/92/45/84/926924584.db2.gz OQJAVSOAFHIJCN-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422868722 926925469 /nfs/dbraw/zinc/92/54/69/926925469.db2.gz ORTVTIOFXMDJMD-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)CC(=O)NC(N)=O ZINC001422902710 926927089 /nfs/dbraw/zinc/92/70/89/926927089.db2.gz SZJHMMVCVHRROH-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914383 926927554 /nfs/dbraw/zinc/92/75/54/926927554.db2.gz KLDWBUUAKMFKKN-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914383 926927572 /nfs/dbraw/zinc/92/75/72/926927572.db2.gz KLDWBUUAKMFKKN-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914385 926928229 /nfs/dbraw/zinc/92/82/29/926928229.db2.gz KLDWBUUAKMFKKN-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422914385 926928236 /nfs/dbraw/zinc/92/82/36/926928236.db2.gz KLDWBUUAKMFKKN-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001422893140 926928408 /nfs/dbraw/zinc/92/84/08/926928408.db2.gz RCNMABZDNHOYMT-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001422893140 926928417 /nfs/dbraw/zinc/92/84/17/926928417.db2.gz RCNMABZDNHOYMT-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913115 926928719 /nfs/dbraw/zinc/92/87/19/926928719.db2.gz GKDHMZOUXIXDLG-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913115 926928728 /nfs/dbraw/zinc/92/87/28/926928728.db2.gz GKDHMZOUXIXDLG-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCCC2)C1 ZINC001422903411 926929730 /nfs/dbraw/zinc/92/97/30/926929730.db2.gz CJTKFCKCTKVMRE-XYPYZODXSA-N 1 1 311.386 -1.239 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001422927384 926931614 /nfs/dbraw/zinc/93/16/14/926931614.db2.gz QDRUXCBHIOLQJZ-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001422927384 926931623 /nfs/dbraw/zinc/93/16/23/926931623.db2.gz QDRUXCBHIOLQJZ-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001422927378 926931718 /nfs/dbraw/zinc/93/17/18/926931718.db2.gz QDRUXCBHIOLQJZ-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001422927378 926931729 /nfs/dbraw/zinc/93/17/29/926931729.db2.gz QDRUXCBHIOLQJZ-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cncn1C ZINC001422933604 926931849 /nfs/dbraw/zinc/93/18/49/926931849.db2.gz YVYJBOFCSDAXDJ-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cncn1C ZINC001422933604 926931859 /nfs/dbraw/zinc/93/18/59/926931859.db2.gz YVYJBOFCSDAXDJ-JTQLQIEISA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955603 926932580 /nfs/dbraw/zinc/93/25/80/926932580.db2.gz UBCJHWDHIKKMQE-ZJUUUORDSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001422955603 926932591 /nfs/dbraw/zinc/93/25/91/926932591.db2.gz UBCJHWDHIKKMQE-ZJUUUORDSA-N 1 1 310.358 -1.097 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](NC(=O)Cn2cnnn2)C2CC2)[nH]1 ZINC001422975000 926932871 /nfs/dbraw/zinc/93/28/71/926932871.db2.gz OOWKJJPUNVKVHO-SNVBAGLBSA-N 1 1 305.346 -1.216 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001422977640 926934329 /nfs/dbraw/zinc/93/43/29/926934329.db2.gz NUDHSKNANKVHCI-MNOVXSKESA-N 1 1 321.385 -1.279 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001422992655 926935848 /nfs/dbraw/zinc/93/58/48/926935848.db2.gz DZDVKJNPJBTEBZ-VWYCJHECSA-N 1 1 321.385 -1.342 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001423016786 926936669 /nfs/dbraw/zinc/93/66/69/926936669.db2.gz WFPOZBRJTTZOOY-MNOVXSKESA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@H](CC(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001423009923 926936761 /nfs/dbraw/zinc/93/67/61/926936761.db2.gz WOLGPYHVTGKUNR-PSASIEDQSA-N 1 1 324.389 -1.359 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001422997943 926936849 /nfs/dbraw/zinc/93/68/49/926936849.db2.gz DGEDROVKTBMRMG-LLVKDONJSA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001423007048 926937384 /nfs/dbraw/zinc/93/73/84/926937384.db2.gz SOGNKGSPTZKTEV-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1nnnn1C ZINC001423025883 926939813 /nfs/dbraw/zinc/93/98/13/926939813.db2.gz WDSBNSQXIADQDU-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)Cc1nc[nH]n1)C1CC1 ZINC001423051579 926941318 /nfs/dbraw/zinc/94/13/18/926941318.db2.gz WKXHXSUDEQJZHD-SECBINFHSA-N 1 1 305.346 -1.445 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423080970 926942078 /nfs/dbraw/zinc/94/20/78/926942078.db2.gz WIKQLYJIDBKKKA-UWVGGRQHSA-N 1 1 312.374 -1.741 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423080970 926942086 /nfs/dbraw/zinc/94/20/86/926942086.db2.gz WIKQLYJIDBKKKA-UWVGGRQHSA-N 1 1 312.374 -1.741 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001423101900 926945062 /nfs/dbraw/zinc/94/50/62/926945062.db2.gz TYVBNHWUPDSVBE-JTQLQIEISA-N 1 1 324.385 -1.254 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423121514 926948088 /nfs/dbraw/zinc/94/80/88/926948088.db2.gz VVEIMLCSZHGZKV-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423121514 926948099 /nfs/dbraw/zinc/94/80/99/926948099.db2.gz VVEIMLCSZHGZKV-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423121512 926949744 /nfs/dbraw/zinc/94/97/44/926949744.db2.gz VVEIMLCSZHGZKV-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423121512 926949754 /nfs/dbraw/zinc/94/97/54/926949754.db2.gz VVEIMLCSZHGZKV-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](NC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)F)C(=O)N(C)C ZINC001423179479 926955465 /nfs/dbraw/zinc/95/54/65/926955465.db2.gz PMSDLOMHSDGPDC-SFYZADRCSA-N 1 1 324.328 -2.089 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001423177482 926955836 /nfs/dbraw/zinc/95/58/36/926955836.db2.gz BKAWIUXISRTAEQ-VHSXEESVSA-N 1 1 311.342 -1.483 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001423173071 926955978 /nfs/dbraw/zinc/95/59/78/926955978.db2.gz HATZCQXKAKUKDO-NSHDSACASA-N 1 1 324.337 -1.060 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)Cn1cccn1)Nc1ccon1 ZINC001423184035 926957708 /nfs/dbraw/zinc/95/77/08/926957708.db2.gz XDSBHJYQLSSLJX-SNVBAGLBSA-N 1 1 322.325 -1.424 20 0 DAADMO COc1cncc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)n1 ZINC001423180267 926958534 /nfs/dbraw/zinc/95/85/34/926958534.db2.gz MHGKYKYIEPIYPV-UHFFFAOYSA-N 1 1 318.341 -1.090 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)[NH2+][C@H](C)c1nnnn1C ZINC001423181444 926958766 /nfs/dbraw/zinc/95/87/66/926958766.db2.gz ZHKDSLKGICMDQA-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001423190471 926960692 /nfs/dbraw/zinc/96/06/92/926960692.db2.gz YTJRSMBELNIXGT-VIFPVBQESA-N 1 1 302.331 -3.342 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001423191125 926961203 /nfs/dbraw/zinc/96/12/03/926961203.db2.gz PUPZYBMJGPAWPI-MWLCHTKSSA-N 1 1 310.358 -1.857 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001423199503 926963384 /nfs/dbraw/zinc/96/33/84/926963384.db2.gz XJGHPHPFMQATLI-NWDGAFQWSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001423199503 926963393 /nfs/dbraw/zinc/96/33/93/926963393.db2.gz XJGHPHPFMQATLI-NWDGAFQWSA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001423197187 926964544 /nfs/dbraw/zinc/96/45/44/926964544.db2.gz AQSIBQZTWONJDC-QMMMGPOBSA-N 1 1 305.360 -2.574 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)nc1 ZINC001423196428 926964590 /nfs/dbraw/zinc/96/45/90/926964590.db2.gz NTMSSXXPGOPVPR-QWHCGFSZSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001423196428 926964601 /nfs/dbraw/zinc/96/46/01/926964601.db2.gz NTMSSXXPGOPVPR-QWHCGFSZSA-N 1 1 323.397 -1.318 20 0 DAADMO CC(C)CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001423196182 926965044 /nfs/dbraw/zinc/96/50/44/926965044.db2.gz YQBOLGXEESRMOW-QWHCGFSZSA-N 1 1 314.430 -1.081 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001423209291 926971118 /nfs/dbraw/zinc/97/11/18/926971118.db2.gz WBQUCGLKBHTHNP-SECBINFHSA-N 1 1 301.372 -1.417 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[NH+]2CCC1CC2 ZINC001423214874 926972371 /nfs/dbraw/zinc/97/23/71/926972371.db2.gz GABAIDKTJRBVQE-MNOVXSKESA-N 1 1 324.385 -1.581 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001423212324 926973078 /nfs/dbraw/zinc/97/30/78/926973078.db2.gz AXTJTPSEMSGPQB-IJLUTSLNSA-N 1 1 319.369 -1.128 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CCc2cnn(C)c2)n[nH]1 ZINC001423215265 926973226 /nfs/dbraw/zinc/97/32/26/926973226.db2.gz VAWXAAOLBCXYGB-GFCCVEGCSA-N 1 1 321.385 -1.301 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423214601 926973878 /nfs/dbraw/zinc/97/38/78/926973878.db2.gz GABAIDKTJRBVQE-GHMZBOCLSA-N 1 1 324.385 -1.581 20 0 DAADMO Cn1nncc1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001423212162 926974214 /nfs/dbraw/zinc/97/42/14/926974214.db2.gz PSQIUPPQMQWVIK-UHFFFAOYSA-N 1 1 306.330 -1.711 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)o1 ZINC001423214916 926974244 /nfs/dbraw/zinc/97/42/44/926974244.db2.gz GMVXANXLKGRHTK-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001423218683 926975603 /nfs/dbraw/zinc/97/56/03/926975603.db2.gz LWKOUQXSABIBAX-SECBINFHSA-N 1 1 309.370 -1.617 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)[C@H]1CCOC1)Nc1cnccn1 ZINC001423217808 926975671 /nfs/dbraw/zinc/97/56/71/926975671.db2.gz ZAENFHDYRRONOX-QWRGUYRKSA-N 1 1 323.353 -1.482 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCOC1)Nc1cnccn1 ZINC001423217805 926975773 /nfs/dbraw/zinc/97/57/73/926975773.db2.gz ZAENFHDYRRONOX-GHMZBOCLSA-N 1 1 323.353 -1.482 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001423217022 926976786 /nfs/dbraw/zinc/97/67/86/926976786.db2.gz XMWLDSXROHKCRR-JTQLQIEISA-N 1 1 313.358 -1.131 20 0 DAADMO CCn1ccc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001423219938 926979500 /nfs/dbraw/zinc/97/95/00/926979500.db2.gz YESNYDIUDLCNTM-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001423226451 926984492 /nfs/dbraw/zinc/98/44/92/926984492.db2.gz FFFQBZRNMQQSJT-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001423229525 926985998 /nfs/dbraw/zinc/98/59/98/926985998.db2.gz HSPBRGLNYGYXTJ-SECBINFHSA-N 1 1 321.341 -1.716 20 0 DAADMO Cn1nncc1CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001423230171 926986326 /nfs/dbraw/zinc/98/63/26/926986326.db2.gz MJFDBVQZZWHBMV-AAEUAGOBSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nncc1CN[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001423230182 926986440 /nfs/dbraw/zinc/98/64/40/926986440.db2.gz MJFDBVQZZWHBMV-YPMHNXCESA-N 1 1 310.402 -1.134 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)n1cncn1 ZINC001423231899 926986917 /nfs/dbraw/zinc/98/69/17/926986917.db2.gz MVCINMHJCBGKIB-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CC1)S(C)(=O)=O ZINC001423229776 926987089 /nfs/dbraw/zinc/98/70/89/926987089.db2.gz WAABUAJTQJMABN-VIFPVBQESA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001423231025 926987657 /nfs/dbraw/zinc/98/76/57/926987657.db2.gz IFQWVFXWVCRTAO-JTQLQIEISA-N 1 1 311.390 -1.739 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001423229459 926987936 /nfs/dbraw/zinc/98/79/36/926987936.db2.gz HJICKBDHCCDEHA-LBPRGKRZSA-N 1 1 310.402 -1.134 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001423233134 926988851 /nfs/dbraw/zinc/98/88/51/926988851.db2.gz JQFONLNQZWPXOZ-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCC(=O)NC2)n1 ZINC001423236211 926988916 /nfs/dbraw/zinc/98/89/16/926988916.db2.gz NSDPZXXPGCYADM-YPMHNXCESA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1cncc1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001423233716 926989354 /nfs/dbraw/zinc/98/93/54/926989354.db2.gz AOLXPYJZVAQDCY-UHFFFAOYSA-N 1 1 305.342 -1.106 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCC(=O)NC2)n1 ZINC001423236203 926990621 /nfs/dbraw/zinc/99/06/21/926990621.db2.gz NSDPZXXPGCYADM-DGCLKSJQSA-N 1 1 323.397 -1.097 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001423233141 926990781 /nfs/dbraw/zinc/99/07/81/926990781.db2.gz JQFONLNQZWPXOZ-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001423233067 926991042 /nfs/dbraw/zinc/99/10/42/926991042.db2.gz OLRUNDBDTNDKCT-VHSXEESVSA-N 1 1 310.354 -1.056 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001423238994 926993244 /nfs/dbraw/zinc/99/32/44/926993244.db2.gz XPGDIWOLTKAUMJ-CYBMUJFWSA-N 1 1 312.370 -1.118 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2C)ncn1 ZINC001423249968 926994680 /nfs/dbraw/zinc/99/46/80/926994680.db2.gz KGWKWOJLPWEEPA-QWHCGFSZSA-N 1 1 321.381 -1.027 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423254587 926998559 /nfs/dbraw/zinc/99/85/59/926998559.db2.gz FBMLJPFZXSZQRI-UWVGGRQHSA-N 1 1 324.341 -2.267 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423254987 926998609 /nfs/dbraw/zinc/99/86/09/926998609.db2.gz GWWOJNJXBSWNQN-ZJUUUORDSA-N 1 1 324.341 -2.267 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)CC1 ZINC001423256617 926999133 /nfs/dbraw/zinc/99/91/33/926999133.db2.gz HBVJRROOYYLDDW-JTQLQIEISA-N 1 1 315.374 -2.410 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1)[C@H]1CNC(=O)N1 ZINC001423256207 926999602 /nfs/dbraw/zinc/99/96/02/926999602.db2.gz JIKOJYLJPDYXIP-WDEREUQCSA-N 1 1 311.317 -1.531 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)=NC1=O ZINC001423257496 927000792 /nfs/dbraw/zinc/00/07/92/927000792.db2.gz IBLRXQXIPFLMIT-DTWKUNHWSA-N 1 1 311.342 -1.915 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001423260130 927000835 /nfs/dbraw/zinc/00/08/35/927000835.db2.gz QTKNLLFMKNDGMB-STQMWFEESA-N 1 1 312.414 -1.374 20 0 DAADMO CN1CC[C@@H](N[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001423260122 927001162 /nfs/dbraw/zinc/00/11/62/927001162.db2.gz QTKNLLFMKNDGMB-CHWSQXEVSA-N 1 1 312.414 -1.374 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001423261042 927001986 /nfs/dbraw/zinc/00/19/86/927001986.db2.gz JGXDJWJHWWPQMO-VXGBXAGGSA-N 1 1 313.402 -1.828 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(C(N)=O)[nH]2)n1 ZINC001423261369 927002261 /nfs/dbraw/zinc/00/22/61/927002261.db2.gz KQKASCWVMKQEEO-SNVBAGLBSA-N 1 1 320.353 -1.272 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001423258249 927003154 /nfs/dbraw/zinc/00/31/54/927003154.db2.gz KRPXAJXHLHCTDW-BDAKNGLRSA-N 1 1 302.331 -2.187 20 0 DAADMO COCc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001423266825 927004452 /nfs/dbraw/zinc/00/44/52/927004452.db2.gz PKPBDHTVEIQDBG-SECBINFHSA-N 1 1 324.341 -1.170 20 0 DAADMO COCc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)no1 ZINC001423266826 927004785 /nfs/dbraw/zinc/00/47/85/927004785.db2.gz PKPBDHTVEIQDBG-VIFPVBQESA-N 1 1 324.341 -1.170 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423264418 927005174 /nfs/dbraw/zinc/00/51/74/927005174.db2.gz BCGCQGPALCMZMR-CHWSQXEVSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001423266219 927007172 /nfs/dbraw/zinc/00/71/72/927007172.db2.gz PSWRPJKBKMGCTF-NSHDSACASA-N 1 1 324.385 -2.581 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273033 927008010 /nfs/dbraw/zinc/00/80/10/927008010.db2.gz YWDYFHZVDVAWRB-VHSXEESVSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001423273033 927008027 /nfs/dbraw/zinc/00/80/27/927008027.db2.gz YWDYFHZVDVAWRB-VHSXEESVSA-N 1 1 312.374 -1.581 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001423269018 927009582 /nfs/dbraw/zinc/00/95/82/927009582.db2.gz UBMBYQDOUFIZDO-ONGXEEELSA-N 1 1 309.370 -1.137 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001423279564 927012830 /nfs/dbraw/zinc/01/28/30/927012830.db2.gz FCSZBILTYRTMEO-QWRGUYRKSA-N 1 1 323.353 -1.670 20 0 DAADMO CCN1CC[C@@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423293938 927018649 /nfs/dbraw/zinc/01/86/49/927018649.db2.gz JRPJKQSBTXLKNU-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001423296856 927018857 /nfs/dbraw/zinc/01/88/57/927018857.db2.gz ALJXNXIURIUNIZ-SECBINFHSA-N 1 1 319.387 -2.184 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001423298032 927019160 /nfs/dbraw/zinc/01/91/60/927019160.db2.gz DUVYDIVZBWISPI-QWHCGFSZSA-N 1 1 323.397 -1.236 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2ncccn2)C1 ZINC001423298032 927019174 /nfs/dbraw/zinc/01/91/74/927019174.db2.gz DUVYDIVZBWISPI-QWHCGFSZSA-N 1 1 323.397 -1.236 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001423303993 927020838 /nfs/dbraw/zinc/02/08/38/927020838.db2.gz RSDMEMFWRNUWOZ-NSHDSACASA-N 1 1 322.369 -1.662 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001423300021 927021145 /nfs/dbraw/zinc/02/11/45/927021145.db2.gz HAYYVOPITZYHBH-RYUDHWBXSA-N 1 1 300.403 -1.469 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423300021 927021156 /nfs/dbraw/zinc/02/11/56/927021156.db2.gz HAYYVOPITZYHBH-RYUDHWBXSA-N 1 1 300.403 -1.469 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423301988 927022632 /nfs/dbraw/zinc/02/26/32/927022632.db2.gz UVBWPCZMBHIWBA-NEPJUHHUSA-N 1 1 310.398 -1.620 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001423302776 927022889 /nfs/dbraw/zinc/02/28/89/927022889.db2.gz OEPNFJTUNQCXRB-SNVBAGLBSA-N 1 1 323.353 -1.099 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)N[C@@H](C)c1nnnn1C ZINC001423302025 927023099 /nfs/dbraw/zinc/02/30/99/927023099.db2.gz KNFOSVJQQYITPZ-GXSJLCMTSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001423311505 927024027 /nfs/dbraw/zinc/02/40/27/927024027.db2.gz COLBFUPSTGLRMA-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO CCn1ncnc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423309030 927026478 /nfs/dbraw/zinc/02/64/78/927026478.db2.gz RRFVDWOJSVTGNH-VXGBXAGGSA-N 1 1 310.402 -1.184 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001423311281 927026978 /nfs/dbraw/zinc/02/69/78/927026978.db2.gz XLXYHLQREOAZDE-OLZOCXBDSA-N 1 1 322.413 -1.072 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C[C@@H]1C ZINC001423336493 927031419 /nfs/dbraw/zinc/03/14/19/927031419.db2.gz RGCGPJVAMNWWJE-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)[C@H]1C ZINC001423331209 927031532 /nfs/dbraw/zinc/03/15/32/927031532.db2.gz ASMPIHUFORPJAI-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ccn[nH]2)C1 ZINC001423349992 927031822 /nfs/dbraw/zinc/03/18/22/927031822.db2.gz YDJAEQQRGWMSRB-MWLCHTKSSA-N 1 1 322.369 -1.013 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001423371265 927035514 /nfs/dbraw/zinc/03/55/14/927035514.db2.gz PUBLWIYNRWVKLV-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001423385226 927037124 /nfs/dbraw/zinc/03/71/24/927037124.db2.gz YICZCYHTTMIANP-LBPRGKRZSA-N 1 1 318.399 -2.055 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001423419200 927041763 /nfs/dbraw/zinc/04/17/63/927041763.db2.gz SZEJAGVPQGWWNM-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C1C[NH+](CCCO)C1)C(N)=O ZINC001423424033 927042442 /nfs/dbraw/zinc/04/24/42/927042442.db2.gz BWMJKJGIGMOMFR-NSHDSACASA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001423419202 927042723 /nfs/dbraw/zinc/04/27/23/927042723.db2.gz SZEJAGVPQGWWNM-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CS[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423415278 927042775 /nfs/dbraw/zinc/04/27/75/927042775.db2.gz HNSOHORZQYIHNV-BDAKNGLRSA-N 1 1 302.404 -1.130 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001423428001 927043958 /nfs/dbraw/zinc/04/39/58/927043958.db2.gz AVINBMGVURHDHG-CMPLNLGQSA-N 1 1 311.386 -1.162 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnns1 ZINC001423427398 927044764 /nfs/dbraw/zinc/04/47/64/927044764.db2.gz HTZHGGQYVULRNQ-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001423428014 927046131 /nfs/dbraw/zinc/04/61/31/927046131.db2.gz LZOXMIQQZDWBJM-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423436387 927049385 /nfs/dbraw/zinc/04/93/85/927049385.db2.gz RLVOIFGATCQPOF-SECBINFHSA-N 1 1 313.362 -2.355 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423436393 927049961 /nfs/dbraw/zinc/04/99/61/927049961.db2.gz RLVOIFGATCQPOF-VIFPVBQESA-N 1 1 313.362 -2.355 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1ccn(C)n1 ZINC001423439572 927052126 /nfs/dbraw/zinc/05/21/26/927052126.db2.gz FZDVUQSVYIPAFU-LBPRGKRZSA-N 1 1 321.385 -1.300 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001423447733 927055008 /nfs/dbraw/zinc/05/50/08/927055008.db2.gz RZSUHHFDOSWAQC-LBPRGKRZSA-N 1 1 324.385 -1.798 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nonc1C ZINC001423444659 927055976 /nfs/dbraw/zinc/05/59/76/927055976.db2.gz XUHZTKRANKDGJY-SECBINFHSA-N 1 1 314.346 -1.784 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423448185 927056035 /nfs/dbraw/zinc/05/60/35/927056035.db2.gz YXUFBJAVZWILAN-MWLCHTKSSA-N 1 1 300.363 -1.864 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnoc1 ZINC001423454853 927057559 /nfs/dbraw/zinc/05/75/59/927057559.db2.gz NJMJBTJNTOOSLW-LLVKDONJSA-N 1 1 308.342 -1.045 20 0 DAADMO CCn1nccc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001423450833 927059202 /nfs/dbraw/zinc/05/92/02/927059202.db2.gz WXVFYMZPBCMVCQ-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnoc1 ZINC001423454858 927059478 /nfs/dbraw/zinc/05/94/78/927059478.db2.gz NJMJBTJNTOOSLW-NSHDSACASA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@@H]1CCNC1=O ZINC001423458297 927063313 /nfs/dbraw/zinc/06/33/13/927063313.db2.gz HXTWRDBIRGUEMX-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC(=O)NC1 ZINC001423462915 927063340 /nfs/dbraw/zinc/06/33/40/927063340.db2.gz KNAFLMOUCIJBOS-RYUDHWBXSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423457638 927063961 /nfs/dbraw/zinc/06/39/61/927063961.db2.gz SGWCRWVHGRAMCF-HTQZYQBOSA-N 1 1 312.334 -3.200 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423462922 927064137 /nfs/dbraw/zinc/06/41/37/927064137.db2.gz KNAFLMOUCIJBOS-VXGBXAGGSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423457680 927064459 /nfs/dbraw/zinc/06/44/59/927064459.db2.gz SGWCRWVHGRAMCF-YUMQZZPRSA-N 1 1 312.334 -3.200 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cc(=O)n(C)cn1 ZINC001423470274 927066989 /nfs/dbraw/zinc/06/69/89/927066989.db2.gz TXQGABUPZGAADF-JTQLQIEISA-N 1 1 322.325 -1.614 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423470745 927067333 /nfs/dbraw/zinc/06/73/33/927067333.db2.gz NSJGCVQKWBRORW-MXWKQRLJSA-N 1 1 310.358 -2.155 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cc2ncc[nH]2)[nH]1 ZINC001423474337 927069413 /nfs/dbraw/zinc/06/94/13/927069413.db2.gz CZWUMPSKUMIRPA-SNVBAGLBSA-N 1 1 307.358 -1.012 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)Cc1cncn1C ZINC001423478782 927069502 /nfs/dbraw/zinc/06/95/02/927069502.db2.gz KYJJZRAJPJXRJY-GFCCVEGCSA-N 1 1 308.342 -1.045 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccnn1)c1nnnn1C ZINC001423475566 927070604 /nfs/dbraw/zinc/07/06/04/927070604.db2.gz FYIKLIXLHLSKEV-VHSXEESVSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CCC(=O)N1 ZINC001423483382 927073717 /nfs/dbraw/zinc/07/37/17/927073717.db2.gz VGKYOVQPVNQCGH-IUCAKERBSA-N 1 1 313.383 -1.274 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccncn1 ZINC001423489359 927074485 /nfs/dbraw/zinc/07/44/85/927074485.db2.gz SUSSCFGLFKSXBS-VIFPVBQESA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423483056 927074759 /nfs/dbraw/zinc/07/47/59/927074759.db2.gz IWDYVAOACGVERZ-WCQYABFASA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccncn1 ZINC001423489355 927075490 /nfs/dbraw/zinc/07/54/90/927075490.db2.gz SUSSCFGLFKSXBS-SECBINFHSA-N 1 1 306.330 -1.777 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001423492363 927076236 /nfs/dbraw/zinc/07/62/36/927076236.db2.gz TYDPAJXLTLNEGR-VIFPVBQESA-N 1 1 310.362 -1.651 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001423500768 927076565 /nfs/dbraw/zinc/07/65/65/927076565.db2.gz DEGTTYZMUVGFQP-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001423500768 927076582 /nfs/dbraw/zinc/07/65/82/927076582.db2.gz DEGTTYZMUVGFQP-LLVKDONJSA-N 1 1 309.370 -1.104 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC ZINC001423493572 927077491 /nfs/dbraw/zinc/07/74/91/927077491.db2.gz VWXSKLLWHDEMAT-SNVBAGLBSA-N 1 1 302.375 -1.007 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC ZINC001423493572 927077507 /nfs/dbraw/zinc/07/75/07/927077507.db2.gz VWXSKLLWHDEMAT-SNVBAGLBSA-N 1 1 302.375 -1.007 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1ccnc1 ZINC001423492265 927077861 /nfs/dbraw/zinc/07/78/61/927077861.db2.gz SHYDYKKJPOCXGA-GFCCVEGCSA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001423500992 927077934 /nfs/dbraw/zinc/07/79/34/927077934.db2.gz GCUDBXUEOBYWBQ-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001423500992 927077952 /nfs/dbraw/zinc/07/79/52/927077952.db2.gz GCUDBXUEOBYWBQ-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cn1nncc1C(=O)NC1(C)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001423500899 927078364 /nfs/dbraw/zinc/07/83/64/927078364.db2.gz VEFJVLSXHWNAHR-UHFFFAOYSA-N 1 1 323.357 -1.406 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001423507577 927080626 /nfs/dbraw/zinc/08/06/26/927080626.db2.gz HCQPUWODQXETIH-NSHDSACASA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001423507577 927080640 /nfs/dbraw/zinc/08/06/40/927080640.db2.gz HCQPUWODQXETIH-NSHDSACASA-N 1 1 314.386 -1.990 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001423511535 927080713 /nfs/dbraw/zinc/08/07/13/927080713.db2.gz CQFVPQGIQBCPEI-SMDDNHRTSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCn1ccccc1=O ZINC001423504661 927080802 /nfs/dbraw/zinc/08/08/02/927080802.db2.gz MIJBEHATMVVRSM-LBPRGKRZSA-N 1 1 324.381 -1.525 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCn1ccccc1=O ZINC001423504661 927080822 /nfs/dbraw/zinc/08/08/22/927080822.db2.gz MIJBEHATMVVRSM-LBPRGKRZSA-N 1 1 324.381 -1.525 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001423509110 927081142 /nfs/dbraw/zinc/08/11/42/927081142.db2.gz CFIFMEXJSCJMCF-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001423509110 927081157 /nfs/dbraw/zinc/08/11/57/927081157.db2.gz CFIFMEXJSCJMCF-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001423506961 927082447 /nfs/dbraw/zinc/08/24/47/927082447.db2.gz GLUWORNBCCBTTH-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001423506961 927082458 /nfs/dbraw/zinc/08/24/58/927082458.db2.gz GLUWORNBCCBTTH-QMMMGPOBSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001423506959 927082929 /nfs/dbraw/zinc/08/29/29/927082929.db2.gz GLUWORNBCCBTTH-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001423506959 927082922 /nfs/dbraw/zinc/08/29/22/927082922.db2.gz GLUWORNBCCBTTH-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001423501722 927083046 /nfs/dbraw/zinc/08/30/46/927083046.db2.gz DJTUICGUOSOCKP-CHWSQXEVSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001423503308 927083085 /nfs/dbraw/zinc/08/30/85/927083085.db2.gz LIZYNZGSWIRIOA-RYUDHWBXSA-N 1 1 310.354 -1.143 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001423510166 927083913 /nfs/dbraw/zinc/08/39/13/927083913.db2.gz DUSZEQSNAXMUTI-MNOVXSKESA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001423510166 927083926 /nfs/dbraw/zinc/08/39/26/927083926.db2.gz DUSZEQSNAXMUTI-MNOVXSKESA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001423511532 927084083 /nfs/dbraw/zinc/08/40/83/927084083.db2.gz CQFVPQGIQBCPEI-FZMZJTMJSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cnc2n[nH]nc2c1 ZINC001423504822 927084558 /nfs/dbraw/zinc/08/45/58/927084558.db2.gz NLHRNHSDTRFFKV-JTQLQIEISA-N 1 1 308.342 -1.290 20 0 DAADMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516223 927085135 /nfs/dbraw/zinc/08/51/35/927085135.db2.gz MLHRHDDRRUATOZ-PWSUYJOCSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CN(C)C(=O)c2cn[nH]n2)C1=O ZINC001423516223 927085149 /nfs/dbraw/zinc/08/51/49/927085149.db2.gz MLHRHDDRRUATOZ-PWSUYJOCSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001423515794 927085651 /nfs/dbraw/zinc/08/56/51/927085651.db2.gz YSPUMFWUHFSIGX-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001423519494 927086840 /nfs/dbraw/zinc/08/68/40/927086840.db2.gz BRQSLGQYAHRVOB-WDEREUQCSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001423519494 927086853 /nfs/dbraw/zinc/08/68/53/927086853.db2.gz BRQSLGQYAHRVOB-WDEREUQCSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001423525304 927086931 /nfs/dbraw/zinc/08/69/31/927086931.db2.gz PCLSABDYUGZXII-PSASIEDQSA-N 1 1 313.333 -1.198 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cc1ncc[nH]1 ZINC001423527408 927088514 /nfs/dbraw/zinc/08/85/14/927088514.db2.gz CXUAWROHZZZZNQ-GFCCVEGCSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cc1ncc[nH]1 ZINC001423527408 927088529 /nfs/dbraw/zinc/08/85/29/927088529.db2.gz CXUAWROHZZZZNQ-GFCCVEGCSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001423525309 927089034 /nfs/dbraw/zinc/08/90/34/927089034.db2.gz PCLSABDYUGZXII-WCBMZHEXSA-N 1 1 313.333 -1.198 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)co1 ZINC001423518122 927089090 /nfs/dbraw/zinc/08/90/90/927089090.db2.gz QHKTXUWPZXVAQY-RKDXNWHRSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)co1 ZINC001423518122 927089105 /nfs/dbraw/zinc/08/91/05/927089105.db2.gz QHKTXUWPZXVAQY-RKDXNWHRSA-N 1 1 314.342 -1.078 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001423522468 927089320 /nfs/dbraw/zinc/08/93/20/927089320.db2.gz GRCWASRFVXXRED-ZIAGYGMSSA-N 1 1 315.414 -1.012 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516956 927089455 /nfs/dbraw/zinc/08/94/55/927089455.db2.gz OAPJQQVOQRTPLB-VHSXEESVSA-N 1 1 312.374 -1.388 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516956 927089460 /nfs/dbraw/zinc/08/94/60/927089460.db2.gz OAPJQQVOQRTPLB-VHSXEESVSA-N 1 1 312.374 -1.388 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423521036 927089570 /nfs/dbraw/zinc/08/95/70/927089570.db2.gz YSWBYPZAMXCSMS-GFCCVEGCSA-N 1 1 316.402 -1.648 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423521036 927089585 /nfs/dbraw/zinc/08/95/85/927089585.db2.gz YSWBYPZAMXCSMS-GFCCVEGCSA-N 1 1 316.402 -1.648 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCF ZINC001423533849 927090342 /nfs/dbraw/zinc/09/03/42/927090342.db2.gz FPSJILUDAIMKHC-JTQLQIEISA-N 1 1 313.395 -1.402 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCF ZINC001423533849 927090358 /nfs/dbraw/zinc/09/03/58/927090358.db2.gz FPSJILUDAIMKHC-JTQLQIEISA-N 1 1 313.395 -1.402 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542441 927090404 /nfs/dbraw/zinc/09/04/04/927090404.db2.gz KAQRNMYAJOUUSJ-NWDGAFQWSA-N 1 1 311.386 -1.231 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)c1ccccn1 ZINC001423545366 927090703 /nfs/dbraw/zinc/09/07/03/927090703.db2.gz QTMFUYFXMMAQBR-LBPRGKRZSA-N 1 1 324.381 -1.445 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001423547191 927090967 /nfs/dbraw/zinc/09/09/67/927090967.db2.gz LAPDZZAJAPZUGJ-SECBINFHSA-N 1 1 324.403 -2.967 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001423547191 927090982 /nfs/dbraw/zinc/09/09/82/927090982.db2.gz LAPDZZAJAPZUGJ-SECBINFHSA-N 1 1 324.403 -2.967 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001423538762 927091171 /nfs/dbraw/zinc/09/11/71/927091171.db2.gz AEFLKCWPNBMXPC-VXGBXAGGSA-N 1 1 314.386 -1.766 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001423538762 927091191 /nfs/dbraw/zinc/09/11/91/927091191.db2.gz AEFLKCWPNBMXPC-VXGBXAGGSA-N 1 1 314.386 -1.766 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001423532950 927091537 /nfs/dbraw/zinc/09/15/37/927091537.db2.gz PDAHTJKJYTWJHY-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001423532950 927091549 /nfs/dbraw/zinc/09/15/49/927091549.db2.gz PDAHTJKJYTWJHY-SNVBAGLBSA-N 1 1 313.362 -2.440 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001423535811 927091585 /nfs/dbraw/zinc/09/15/85/927091585.db2.gz IKGZKEAMXLJJGO-LBPRGKRZSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001423535811 927091599 /nfs/dbraw/zinc/09/15/99/927091599.db2.gz IKGZKEAMXLJJGO-LBPRGKRZSA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)c1nc[nH]n1 ZINC001423536015 927091651 /nfs/dbraw/zinc/09/16/51/927091651.db2.gz UXLAEKNSVPPPSA-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423546250 927091712 /nfs/dbraw/zinc/09/17/12/927091712.db2.gz SGZRMKUJALKDER-ZJUUUORDSA-N 1 1 315.374 -2.234 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423546250 927091727 /nfs/dbraw/zinc/09/17/27/927091727.db2.gz SGZRMKUJALKDER-ZJUUUORDSA-N 1 1 315.374 -2.234 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N1 ZINC001423532241 927092277 /nfs/dbraw/zinc/09/22/77/927092277.db2.gz AYZOACHZMKSNPA-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ncccc1F ZINC001423539299 927092416 /nfs/dbraw/zinc/09/24/16/927092416.db2.gz GCPFBNJVKBAKIA-SNVBAGLBSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ncccc1F ZINC001423539299 927092432 /nfs/dbraw/zinc/09/24/32/927092432.db2.gz GCPFBNJVKBAKIA-SNVBAGLBSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423546243 927092459 /nfs/dbraw/zinc/09/24/59/927092459.db2.gz SGZRMKUJALKDER-UWVGGRQHSA-N 1 1 315.374 -2.234 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423546243 927092474 /nfs/dbraw/zinc/09/24/74/927092474.db2.gz SGZRMKUJALKDER-UWVGGRQHSA-N 1 1 315.374 -2.234 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423528773 927092566 /nfs/dbraw/zinc/09/25/66/927092566.db2.gz YZDGAPQKICMEGY-UTUOFQBUSA-N 1 1 324.385 -1.849 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001423545071 927092614 /nfs/dbraw/zinc/09/26/14/927092614.db2.gz VBLIFCZSGMEOPW-NWDGAFQWSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423535750 927092806 /nfs/dbraw/zinc/09/28/06/927092806.db2.gz BVDSKUNJQGSZBV-NWDGAFQWSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001423535750 927092813 /nfs/dbraw/zinc/09/28/13/927092813.db2.gz BVDSKUNJQGSZBV-NWDGAFQWSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001423545074 927092931 /nfs/dbraw/zinc/09/29/31/927092931.db2.gz VBLIFCZSGMEOPW-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001423529397 927093146 /nfs/dbraw/zinc/09/31/46/927093146.db2.gz HORDUIIQBPTZSB-JQWIXIFHSA-N 1 1 324.385 -1.590 20 0 DAADMO CNC(=O)c1ccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)cn1 ZINC001423539924 927093339 /nfs/dbraw/zinc/09/33/39/927093339.db2.gz UCKLPQFQCJSXPA-LBPRGKRZSA-N 1 1 324.381 -1.202 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542436 927093632 /nfs/dbraw/zinc/09/36/32/927093632.db2.gz KAQRNMYAJOUUSJ-NEPJUHHUSA-N 1 1 311.386 -1.231 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001423548842 927094031 /nfs/dbraw/zinc/09/40/31/927094031.db2.gz XZXUXONJKMYHEF-CMPLNLGQSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)c1ccccn1 ZINC001423545362 927094291 /nfs/dbraw/zinc/09/42/91/927094291.db2.gz QTMFUYFXMMAQBR-GFCCVEGCSA-N 1 1 324.381 -1.445 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001423535810 927094564 /nfs/dbraw/zinc/09/45/64/927094564.db2.gz IKGZKEAMXLJJGO-GFCCVEGCSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001423535810 927094573 /nfs/dbraw/zinc/09/45/73/927094573.db2.gz IKGZKEAMXLJJGO-GFCCVEGCSA-N 1 1 311.386 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001423585493 927095369 /nfs/dbraw/zinc/09/53/69/927095369.db2.gz RVWNDBSGYPYSAD-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001423572640 927096199 /nfs/dbraw/zinc/09/61/99/927096199.db2.gz COWPKGBKFYSMMX-SKDRFNHKSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001423572640 927096212 /nfs/dbraw/zinc/09/62/12/927096212.db2.gz COWPKGBKFYSMMX-SKDRFNHKSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@]1(NC(=O)Cc2ncc[nH]2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423573874 927096241 /nfs/dbraw/zinc/09/62/41/927096241.db2.gz AKWTXTFPHZXCLE-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO C[C@]1(NC(=O)Cc2ncc[nH]2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423573874 927096255 /nfs/dbraw/zinc/09/62/55/927096255.db2.gz AKWTXTFPHZXCLE-ZDUSSCGKSA-N 1 1 308.342 -1.272 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001423572634 927096661 /nfs/dbraw/zinc/09/66/61/927096661.db2.gz COWPKGBKFYSMMX-CABZTGNLSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001423572634 927096676 /nfs/dbraw/zinc/09/66/76/927096676.db2.gz COWPKGBKFYSMMX-CABZTGNLSA-N 1 1 320.415 -1.749 20 0 DAADMO COC[C@H](C)C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001423565645 927097085 /nfs/dbraw/zinc/09/70/85/927097085.db2.gz SBRGIQPFTUEGMS-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO COC[C@H](C)C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423565645 927097098 /nfs/dbraw/zinc/09/70/98/927097098.db2.gz SBRGIQPFTUEGMS-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001423585492 927097616 /nfs/dbraw/zinc/09/76/16/927097616.db2.gz RVWNDBSGYPYSAD-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001423572784 927098880 /nfs/dbraw/zinc/09/88/80/927098880.db2.gz WMKYEBZSBHAOMD-ZDUSSCGKSA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001423572784 927098891 /nfs/dbraw/zinc/09/88/91/927098891.db2.gz WMKYEBZSBHAOMD-ZDUSSCGKSA-N 1 1 302.350 -1.211 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(N)=O ZINC001423639430 927099950 /nfs/dbraw/zinc/09/99/50/927099950.db2.gz DEBQEDPTAZKNAU-NWDGAFQWSA-N 1 1 300.403 -1.124 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C[C@@H](C)O ZINC001423640584 927101804 /nfs/dbraw/zinc/10/18/04/927101804.db2.gz FWDHECWHQTYSTB-LLVKDONJSA-N 1 1 314.386 -1.217 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423737425 927107161 /nfs/dbraw/zinc/10/71/61/927107161.db2.gz FYCPVFPILPIMGW-ABAIWWIYSA-N 1 1 323.397 -1.018 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001423734672 927107699 /nfs/dbraw/zinc/10/76/99/927107699.db2.gz CKRCMAPYADRXRY-SNVBAGLBSA-N 1 1 315.342 -1.646 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001423734672 927107708 /nfs/dbraw/zinc/10/77/08/927107708.db2.gz CKRCMAPYADRXRY-SNVBAGLBSA-N 1 1 315.342 -1.646 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnns1 ZINC001423745590 927110305 /nfs/dbraw/zinc/11/03/05/927110305.db2.gz FWUDZOZDRBQNDN-PELKAZGASA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnns1 ZINC001423745590 927110319 /nfs/dbraw/zinc/11/03/19/927110319.db2.gz FWUDZOZDRBQNDN-PELKAZGASA-N 1 1 311.367 -1.407 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423753004 927110374 /nfs/dbraw/zinc/11/03/74/927110374.db2.gz CHBPYAYQOVRKRB-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423753004 927110383 /nfs/dbraw/zinc/11/03/83/927110383.db2.gz CHBPYAYQOVRKRB-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnns1 ZINC001423745605 927110917 /nfs/dbraw/zinc/11/09/17/927110917.db2.gz FWUDZOZDRBQNDN-UFBFGSQYSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnns1 ZINC001423745605 927110923 /nfs/dbraw/zinc/11/09/23/927110923.db2.gz FWUDZOZDRBQNDN-UFBFGSQYSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423746220 927110967 /nfs/dbraw/zinc/11/09/67/927110967.db2.gz WHBKKSUPXXEYRJ-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423746216 927111063 /nfs/dbraw/zinc/11/10/63/927111063.db2.gz WHBKKSUPXXEYRJ-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001423749949 927111370 /nfs/dbraw/zinc/11/13/70/927111370.db2.gz VQZCEGDIIRXJSX-IINYFYTJSA-N 1 1 309.370 -1.279 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnns1 ZINC001423745600 927111702 /nfs/dbraw/zinc/11/17/02/927111702.db2.gz FWUDZOZDRBQNDN-QPUJVOFHSA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnns1 ZINC001423745600 927111716 /nfs/dbraw/zinc/11/17/16/927111716.db2.gz FWUDZOZDRBQNDN-QPUJVOFHSA-N 1 1 311.367 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001423752608 927112061 /nfs/dbraw/zinc/11/20/61/927112061.db2.gz CSFAWYXWSZDEBC-QMTHXVAHSA-N 1 1 324.385 -1.567 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001423749816 927112359 /nfs/dbraw/zinc/11/23/59/927112359.db2.gz BDQNTYXTVVIRSG-SWLSCSKDSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001423749825 927112470 /nfs/dbraw/zinc/11/24/70/927112470.db2.gz BDQNTYXTVVIRSG-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001423752595 927112538 /nfs/dbraw/zinc/11/25/38/927112538.db2.gz DTYBIANTPDZQMB-QMTHXVAHSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001423752595 927112548 /nfs/dbraw/zinc/11/25/48/927112548.db2.gz DTYBIANTPDZQMB-QMTHXVAHSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001423758284 927113540 /nfs/dbraw/zinc/11/35/40/927113540.db2.gz HMFBRMUYFVCJNT-NNRVYMOVSA-N 1 1 300.750 -1.021 20 0 DAADMO CC1(C(=O)NC[C@]2(O)CC[N@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001423758276 927113861 /nfs/dbraw/zinc/11/38/61/927113861.db2.gz HLAQZVBTTSJMAP-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CC1(C(=O)NC[C@]2(O)CC[N@@H+](CCNS(C)(=O)=O)C2)CC1 ZINC001423758276 927113879 /nfs/dbraw/zinc/11/38/79/927113879.db2.gz HLAQZVBTTSJMAP-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423759908 927114231 /nfs/dbraw/zinc/11/42/31/927114231.db2.gz IVOYGEZPZHRAIQ-HZMBPMFUSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423759908 927114243 /nfs/dbraw/zinc/11/42/43/927114243.db2.gz IVOYGEZPZHRAIQ-HZMBPMFUSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757036 927114417 /nfs/dbraw/zinc/11/44/17/927114417.db2.gz KBMKHSMHUDYUDS-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757036 927114426 /nfs/dbraw/zinc/11/44/26/927114426.db2.gz KBMKHSMHUDYUDS-RNCFNFMXSA-N 1 1 310.358 -1.884 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001423758280 927114578 /nfs/dbraw/zinc/11/45/78/927114578.db2.gz HMFBRMUYFVCJNT-DGWOPVBCSA-N 1 1 300.750 -1.021 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423759921 927114944 /nfs/dbraw/zinc/11/49/44/927114944.db2.gz OOVPPJKFMBHCBT-AWEZNQCLSA-N 1 1 323.353 -1.812 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423759921 927114958 /nfs/dbraw/zinc/11/49/58/927114958.db2.gz OOVPPJKFMBHCBT-AWEZNQCLSA-N 1 1 323.353 -1.812 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423756972 927115001 /nfs/dbraw/zinc/11/50/01/927115001.db2.gz JMVGUAUMQCLLBW-IINYFYTJSA-N 1 1 322.369 -1.740 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423759929 927115883 /nfs/dbraw/zinc/11/58/83/927115883.db2.gz OOVPPJKFMBHCBT-CQSZACIVSA-N 1 1 323.353 -1.812 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001423759929 927115887 /nfs/dbraw/zinc/11/58/87/927115887.db2.gz OOVPPJKFMBHCBT-CQSZACIVSA-N 1 1 323.353 -1.812 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757039 927115970 /nfs/dbraw/zinc/11/59/70/927115970.db2.gz KBMKHSMHUDYUDS-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423757039 927115980 /nfs/dbraw/zinc/11/59/80/927115980.db2.gz KBMKHSMHUDYUDS-ZANVPECISA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423760249 927116259 /nfs/dbraw/zinc/11/62/59/927116259.db2.gz JPDHAQLFDZKLRY-XPTSAGLGSA-N 1 1 324.385 -1.657 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770462 927117835 /nfs/dbraw/zinc/11/78/35/927117835.db2.gz DIVQWMQMWJCDMZ-MADCSZMMSA-N 1 1 314.367 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770462 927117846 /nfs/dbraw/zinc/11/78/46/927117846.db2.gz DIVQWMQMWJCDMZ-MADCSZMMSA-N 1 1 314.367 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770458 927118736 /nfs/dbraw/zinc/11/87/36/927118736.db2.gz DIVQWMQMWJCDMZ-JVXZTZIISA-N 1 1 314.367 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001423770458 927118743 /nfs/dbraw/zinc/11/87/43/927118743.db2.gz DIVQWMQMWJCDMZ-JVXZTZIISA-N 1 1 314.367 -1.111 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423762008 927118940 /nfs/dbraw/zinc/11/89/40/927118940.db2.gz SXQJSQVFBZPSBP-CQSZACIVSA-N 1 1 324.385 -1.492 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001423762008 927118949 /nfs/dbraw/zinc/11/89/49/927118949.db2.gz SXQJSQVFBZPSBP-CQSZACIVSA-N 1 1 324.385 -1.492 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)c1=O ZINC001423769447 927119330 /nfs/dbraw/zinc/11/93/30/927119330.db2.gz BHQTWYFYYXJUKF-ZDUSSCGKSA-N 1 1 315.349 -1.506 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)c1=O ZINC001423769447 927119340 /nfs/dbraw/zinc/11/93/40/927119340.db2.gz BHQTWYFYYXJUKF-ZDUSSCGKSA-N 1 1 315.349 -1.506 20 0 DAADMO O=C(CCn1ccccc1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001423770555 927119799 /nfs/dbraw/zinc/11/97/99/927119799.db2.gz UJFVMDXXRAOGNN-OAHLLOKOSA-N 1 1 309.366 -1.216 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)CC[N@H+]1C ZINC001423762176 927119898 /nfs/dbraw/zinc/11/98/98/927119898.db2.gz LTUJRKRQNHMYBU-YWPYICTPSA-N 1 1 312.414 -1.245 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCCCS2(=O)=O)C1 ZINC001423774876 927121473 /nfs/dbraw/zinc/12/14/73/927121473.db2.gz JQMPMTJIFQHKOM-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001423777360 927121614 /nfs/dbraw/zinc/12/16/14/927121614.db2.gz JIJXQKJENAVVAF-ONGXEEELSA-N 1 1 324.403 -3.026 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001423773290 927121866 /nfs/dbraw/zinc/12/18/66/927121866.db2.gz XPAAKWGDNJEIFX-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1C ZINC001423779941 927122116 /nfs/dbraw/zinc/12/21/16/927122116.db2.gz RLFFBBQCYIFONC-OAHLLOKOSA-N 1 1 324.381 -1.444 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001423773300 927122467 /nfs/dbraw/zinc/12/24/67/927122467.db2.gz XPAAKWGDNJEIFX-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001423773098 927122736 /nfs/dbraw/zinc/12/27/36/927122736.db2.gz IVJAEJLMOCQELV-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001423773098 927122745 /nfs/dbraw/zinc/12/27/45/927122745.db2.gz IVJAEJLMOCQELV-YGRLFVJLSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001423778292 927122769 /nfs/dbraw/zinc/12/27/69/927122769.db2.gz UGMRNSQWGOFGJH-NHYWBVRUSA-N 1 1 321.381 -1.183 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423771841 927123107 /nfs/dbraw/zinc/12/31/07/927123107.db2.gz AQUZWSPYBPCLAD-GWCFXTLKSA-N 1 1 313.358 -1.713 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1C ZINC001423779934 927124157 /nfs/dbraw/zinc/12/41/57/927124157.db2.gz RLFFBBQCYIFONC-HNNXBMFYSA-N 1 1 324.381 -1.444 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001423777088 927124312 /nfs/dbraw/zinc/12/43/12/927124312.db2.gz QJGVFRXNKOIQMK-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001423790263 927126698 /nfs/dbraw/zinc/12/66/98/927126698.db2.gz GVTUIMXOQGHUIS-IINYFYTJSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793003 927126747 /nfs/dbraw/zinc/12/67/47/927126747.db2.gz ODNPXJRWYUYHLZ-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793003 927126758 /nfs/dbraw/zinc/12/67/58/927126758.db2.gz ODNPXJRWYUYHLZ-RISCZKNCSA-N 1 1 305.338 -1.468 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001423786620 927127445 /nfs/dbraw/zinc/12/74/45/927127445.db2.gz AZIRUOXMZZILOU-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423782506 927127793 /nfs/dbraw/zinc/12/77/93/927127793.db2.gz AMDZRKVMXCMVJD-RULNRJAQSA-N 1 1 312.370 -1.220 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423782506 927127801 /nfs/dbraw/zinc/12/78/01/927127801.db2.gz AMDZRKVMXCMVJD-RULNRJAQSA-N 1 1 312.370 -1.220 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)ccc1=O ZINC001423797161 927129602 /nfs/dbraw/zinc/12/96/02/927129602.db2.gz JZGZDKVJWNIRHN-CQSZACIVSA-N 1 1 310.354 -1.671 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423799154 927129947 /nfs/dbraw/zinc/12/99/47/927129947.db2.gz NVHOWXLTFXJZOU-FZMZJTMJSA-N 1 1 314.386 -1.366 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001423797646 927129989 /nfs/dbraw/zinc/12/99/89/927129989.db2.gz VMJDOABUYXXAJC-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001423797646 927130001 /nfs/dbraw/zinc/13/00/01/927130001.db2.gz VMJDOABUYXXAJC-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001423797646 927130016 /nfs/dbraw/zinc/13/00/16/927130016.db2.gz VMJDOABUYXXAJC-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001423797646 927130027 /nfs/dbraw/zinc/13/00/27/927130027.db2.gz VMJDOABUYXXAJC-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001423797646 927130035 /nfs/dbraw/zinc/13/00/35/927130035.db2.gz VMJDOABUYXXAJC-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)ccc1=O ZINC001423797152 927130133 /nfs/dbraw/zinc/13/01/33/927130133.db2.gz JZGZDKVJWNIRHN-AWEZNQCLSA-N 1 1 310.354 -1.671 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001423794459 927131733 /nfs/dbraw/zinc/13/17/33/927131733.db2.gz SYLZHQZIONHVJV-CMPLNLGQSA-N 1 1 308.400 -1.788 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423794459 927131743 /nfs/dbraw/zinc/13/17/43/927131743.db2.gz SYLZHQZIONHVJV-CMPLNLGQSA-N 1 1 308.400 -1.788 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001423794281 927132064 /nfs/dbraw/zinc/13/20/64/927132064.db2.gz WEHPLGDCVWWOFJ-YMTOWFKASA-N 1 1 310.354 -1.339 20 0 DAADMO Cc1nn(CC(=O)NC[C@@]2(O)CC[N@H+](C(C)C)C2)c(=O)n1C ZINC001423800455 927133481 /nfs/dbraw/zinc/13/34/81/927133481.db2.gz RTUIFUAURYIFMA-AWEZNQCLSA-N 1 1 311.386 -1.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001423801261 927134103 /nfs/dbraw/zinc/13/41/03/927134103.db2.gz VEKMOUYJOXTVIB-CYBMUJFWSA-N 1 1 310.358 -2.081 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001423801261 927134116 /nfs/dbraw/zinc/13/41/16/927134116.db2.gz VEKMOUYJOXTVIB-CYBMUJFWSA-N 1 1 310.358 -2.081 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001423800590 927134772 /nfs/dbraw/zinc/13/47/72/927134772.db2.gz LKAWUBWMZLLDEX-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001423800590 927134779 /nfs/dbraw/zinc/13/47/79/927134779.db2.gz LKAWUBWMZLLDEX-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001423802117 927135475 /nfs/dbraw/zinc/13/54/75/927135475.db2.gz VPMHHIVRMITNPY-CYBMUJFWSA-N 1 1 310.358 -1.903 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001423802117 927135483 /nfs/dbraw/zinc/13/54/83/927135483.db2.gz VPMHHIVRMITNPY-CYBMUJFWSA-N 1 1 310.358 -1.903 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001423800593 927135579 /nfs/dbraw/zinc/13/55/79/927135579.db2.gz LKAWUBWMZLLDEX-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001423800593 927135589 /nfs/dbraw/zinc/13/55/89/927135589.db2.gz LKAWUBWMZLLDEX-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO Cn1nnnc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423804129 927136017 /nfs/dbraw/zinc/13/60/17/927136017.db2.gz XKXIUIRZDQPPPA-BXUZGUMPSA-N 1 1 323.401 -1.785 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001423803111 927136135 /nfs/dbraw/zinc/13/61/35/927136135.db2.gz SSPZDXXGZJXZSZ-CMPLNLGQSA-N 1 1 323.390 -1.409 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423822722 927140609 /nfs/dbraw/zinc/14/06/09/927140609.db2.gz QQJZDYNYVGYBOX-VHSXEESVSA-N 1 1 300.359 -1.757 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001423828592 927146553 /nfs/dbraw/zinc/14/65/53/927146553.db2.gz ZVMRNWQTHXIYPJ-JTQLQIEISA-N 1 1 319.427 -1.113 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423831421 927148098 /nfs/dbraw/zinc/14/80/98/927148098.db2.gz DHLFHGGJJWTLAT-RYUDHWBXSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423831423 927148388 /nfs/dbraw/zinc/14/83/88/927148388.db2.gz DHLFHGGJJWTLAT-VXGBXAGGSA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423833150 927148737 /nfs/dbraw/zinc/14/87/37/927148737.db2.gz ZFYHZNGZENXRLX-NEPJUHHUSA-N 1 1 317.386 -2.513 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423833150 927148749 /nfs/dbraw/zinc/14/87/49/927148749.db2.gz ZFYHZNGZENXRLX-NEPJUHHUSA-N 1 1 317.386 -2.513 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001423870124 927160748 /nfs/dbraw/zinc/16/07/48/927160748.db2.gz LGJNZAYOGICRPY-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001423871168 927161363 /nfs/dbraw/zinc/16/13/63/927161363.db2.gz OHLGSFGQOGVSSU-CHWSQXEVSA-N 1 1 315.414 -1.502 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001423878161 927164342 /nfs/dbraw/zinc/16/43/42/927164342.db2.gz RCSSZWSTXJDUHD-SNVBAGLBSA-N 1 1 307.416 -1.257 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001423888836 927165132 /nfs/dbraw/zinc/16/51/32/927165132.db2.gz UNBXLFWWFOZXOC-BXUZGUMPSA-N 1 1 321.381 -1.063 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001423888839 927166017 /nfs/dbraw/zinc/16/60/17/927166017.db2.gz UNBXLFWWFOZXOC-FZMZJTMJSA-N 1 1 321.381 -1.063 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2nncn2C)C1 ZINC001423907533 927168731 /nfs/dbraw/zinc/16/87/31/927168731.db2.gz PDFRIWXYDWEUDX-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423907515 927169148 /nfs/dbraw/zinc/16/91/48/927169148.db2.gz DWOZIDROYJEBAG-VXGBXAGGSA-N 1 1 301.387 -1.892 20 0 DAADMO CCCNC(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001423908315 927170696 /nfs/dbraw/zinc/17/06/96/927170696.db2.gz UGWTUDVESUXECM-UHFFFAOYSA-N 1 1 323.397 -1.119 20 0 DAADMO Cc1noc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001423913301 927170902 /nfs/dbraw/zinc/17/09/02/927170902.db2.gz WYMWMHYKBJVIKX-LLVKDONJSA-N 1 1 309.370 -1.007 20 0 DAADMO Cc1noc(CN2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001423913305 927172039 /nfs/dbraw/zinc/17/20/39/927172039.db2.gz WYMWMHYKBJVIKX-NSHDSACASA-N 1 1 309.370 -1.007 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)N(C)CC)C1 ZINC001423916352 927173824 /nfs/dbraw/zinc/17/38/24/927173824.db2.gz LPTIOOQOSUFYAY-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C1 ZINC001423979547 927175608 /nfs/dbraw/zinc/17/56/08/927175608.db2.gz YYFWIGUGPQGXRE-TXEJJXNPSA-N 1 1 322.365 -1.082 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001423989002 927179542 /nfs/dbraw/zinc/17/95/42/927179542.db2.gz MKZINMWHVBHBEW-PHIMTYICSA-N 1 1 306.370 -1.045 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001423987451 927180034 /nfs/dbraw/zinc/18/00/34/927180034.db2.gz DCVOCOSMWMGGBB-XWLWVQCSSA-N 1 1 311.386 -1.432 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001423987453 927180444 /nfs/dbraw/zinc/18/04/44/927180444.db2.gz DCVOCOSMWMGGBB-ZRUFSTJUSA-N 1 1 311.386 -1.432 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)ccc1=O ZINC001424013827 927181556 /nfs/dbraw/zinc/18/15/56/927181556.db2.gz KYXFTAQMAIACSN-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001424008782 927181880 /nfs/dbraw/zinc/18/18/80/927181880.db2.gz FLUSBALOARXGAC-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)N(C)C)C1 ZINC001424008782 927181885 /nfs/dbraw/zinc/18/18/85/927181885.db2.gz FLUSBALOARXGAC-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001424017162 927182196 /nfs/dbraw/zinc/18/21/96/927182196.db2.gz VBNHXSJIYNJJRO-ZDUSSCGKSA-N 1 1 302.375 -1.759 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001424009470 927182659 /nfs/dbraw/zinc/18/26/59/927182659.db2.gz HKJQREAVPOLLHK-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1ccnc2n[nH]nc21 ZINC001424013948 927183121 /nfs/dbraw/zinc/18/31/21/927183121.db2.gz AVJUGYJAXXWMNZ-AWEZNQCLSA-N 1 1 320.353 -1.098 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001424023266 927184734 /nfs/dbraw/zinc/18/47/34/927184734.db2.gz PLYDUDLMMQFOTK-CQSZACIVSA-N 1 1 310.354 -1.088 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001424043083 927185045 /nfs/dbraw/zinc/18/50/45/927185045.db2.gz KFQRUKACUYINIX-JTQLQIEISA-N 1 1 310.358 -1.584 20 0 DAADMO CC[C@@H]([NH2+]CCN(CCO)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001424040298 927186043 /nfs/dbraw/zinc/18/60/43/927186043.db2.gz DRUAVRVTOGGMLR-SECBINFHSA-N 1 1 313.358 -1.586 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)c2nnn(C)n2)[nH]1 ZINC001424039633 927186289 /nfs/dbraw/zinc/18/62/89/927186289.db2.gz AHMISDKIKPWSDQ-QMMMGPOBSA-N 1 1 323.361 -1.578 20 0 DAADMO CCC[N@H+]1CCC[C@](CO)(NC(=O)CS(=O)(=O)NC)C1 ZINC001424043341 927187370 /nfs/dbraw/zinc/18/73/70/927187370.db2.gz OMKNJMKFGMDCMY-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2nc[nH]n2)C1=O ZINC001424051043 927188431 /nfs/dbraw/zinc/18/84/31/927188431.db2.gz RZSNEPNWORVYNR-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1cncn1)c1nncn1C ZINC001424049167 927188601 /nfs/dbraw/zinc/18/86/01/927188601.db2.gz KIAOOPYLXJRDKH-LLVKDONJSA-N 1 1 322.373 -1.422 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001424050395 927189357 /nfs/dbraw/zinc/18/93/57/927189357.db2.gz WRFJUOGDXOHDOH-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001424050395 927189366 /nfs/dbraw/zinc/18/93/66/927189366.db2.gz WRFJUOGDXOHDOH-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001424050395 927189377 /nfs/dbraw/zinc/18/93/77/927189377.db2.gz WRFJUOGDXOHDOH-GWCFXTLKSA-N 1 1 313.358 -1.631 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]n1)c1nnnn1C ZINC001424045383 927189489 /nfs/dbraw/zinc/18/94/89/927189489.db2.gz PJIDCZIEIXYSSJ-MRVPVSSYSA-N 1 1 309.334 -1.887 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001424052817 927191168 /nfs/dbraw/zinc/19/11/68/927191168.db2.gz SSKHCQZVYRKEEY-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N(C)C(=O)Cn1cnnn1 ZINC001424086135 927194120 /nfs/dbraw/zinc/19/41/20/927194120.db2.gz CMGAVEIJNYVXCE-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ccnn1C)c1nnnn1C ZINC001424070956 927194527 /nfs/dbraw/zinc/19/45/27/927194527.db2.gz QUFGQYNHRHRTMU-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110731 927197399 /nfs/dbraw/zinc/19/73/99/927197399.db2.gz YWKGCBKNMDPWJX-MNOVXSKESA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110731 927197405 /nfs/dbraw/zinc/19/74/05/927197405.db2.gz YWKGCBKNMDPWJX-MNOVXSKESA-N 1 1 324.385 -1.359 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001424132917 927201474 /nfs/dbraw/zinc/20/14/74/927201474.db2.gz ZUYOTOYHPCGSTD-ZDUSSCGKSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001424132917 927201483 /nfs/dbraw/zinc/20/14/83/927201483.db2.gz ZUYOTOYHPCGSTD-ZDUSSCGKSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001424132916 927201533 /nfs/dbraw/zinc/20/15/33/927201533.db2.gz ZUYOTOYHPCGSTD-CYBMUJFWSA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001424132916 927201541 /nfs/dbraw/zinc/20/15/41/927201541.db2.gz ZUYOTOYHPCGSTD-CYBMUJFWSA-N 1 1 310.398 -1.355 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424148367 927202575 /nfs/dbraw/zinc/20/25/75/927202575.db2.gz JSEADBJWYZTSNN-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001424229145 927210842 /nfs/dbraw/zinc/21/08/42/927210842.db2.gz MEKNAYWSEXXJMK-KOLCDFICSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001424229145 927210848 /nfs/dbraw/zinc/21/08/48/927210848.db2.gz MEKNAYWSEXXJMK-KOLCDFICSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001424229143 927211429 /nfs/dbraw/zinc/21/14/29/927211429.db2.gz MEKNAYWSEXXJMK-GXSJLCMTSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001424229143 927211443 /nfs/dbraw/zinc/21/14/43/927211443.db2.gz MEKNAYWSEXXJMK-GXSJLCMTSA-N 1 1 310.358 -1.572 20 0 DAADMO NC(=O)NCCC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001424240097 927213720 /nfs/dbraw/zinc/21/37/20/927213720.db2.gz OEHSLIQKZWLBNQ-SNVBAGLBSA-N 1 1 312.330 -1.555 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001424289131 927215777 /nfs/dbraw/zinc/21/57/77/927215777.db2.gz XGECZVAOWQABJA-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(=O)NCC(=O)N(C)CCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001424268202 927215841 /nfs/dbraw/zinc/21/58/41/927215841.db2.gz RMNOIBVLNSOTLW-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001424273937 927216818 /nfs/dbraw/zinc/21/68/18/927216818.db2.gz UCTLMHPYGIBRRV-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001424281454 927217051 /nfs/dbraw/zinc/21/70/51/927217051.db2.gz RSIFWZLENXETTF-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)CNC(N)=O ZINC001424312935 927218571 /nfs/dbraw/zinc/21/85/71/927218571.db2.gz AEYHMEPCLUSJRE-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)CNC(N)=O ZINC001424312923 927220278 /nfs/dbraw/zinc/22/02/78/927220278.db2.gz AEYHMEPCLUSJRE-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCC[N@@H+](C)CCNS(C)(=O)=O)C(=O)c1nc[nH]n1 ZINC001424328291 927223121 /nfs/dbraw/zinc/22/31/21/927223121.db2.gz PZFMZUMVRJWXTI-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CS(=O)(=O)NC)O2 ZINC001424356796 927224470 /nfs/dbraw/zinc/22/44/70/927224470.db2.gz AVGOGJCXGIHOKU-SNVBAGLBSA-N 1 1 305.400 -1.095 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2nccn2C)C1 ZINC001424396665 927228032 /nfs/dbraw/zinc/22/80/32/927228032.db2.gz RWBVLFUITNQEIK-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001424416963 927232736 /nfs/dbraw/zinc/23/27/36/927232736.db2.gz SLQTYMZDKVUKNG-ZDUSSCGKSA-N 1 1 310.358 -1.584 20 0 DAADMO C[C@H]([NH2+]CC1(NC(=O)CCc2c[nH]nn2)CCOCC1)C(N)=O ZINC001424426698 927233416 /nfs/dbraw/zinc/23/34/16/927233416.db2.gz FUSIFCXIUCQQBS-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO C[C@H]([NH2+]CC1(NC(=O)CCc2cnn[nH]2)CCOCC1)C(N)=O ZINC001424426698 927233432 /nfs/dbraw/zinc/23/34/32/927233432.db2.gz FUSIFCXIUCQQBS-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001424478343 927237358 /nfs/dbraw/zinc/23/73/58/927237358.db2.gz YNGNYTANHQTTHK-UWVGGRQHSA-N 1 1 315.399 -1.172 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC001424551985 927241509 /nfs/dbraw/zinc/24/15/09/927241509.db2.gz RJQUIHNSKUVURZ-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC001424551985 927241523 /nfs/dbraw/zinc/24/15/23/927241523.db2.gz RJQUIHNSKUVURZ-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001424562521 927244949 /nfs/dbraw/zinc/24/49/49/927244949.db2.gz LUUCHDFHOPYIQR-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001424562521 927244961 /nfs/dbraw/zinc/24/49/61/927244961.db2.gz LUUCHDFHOPYIQR-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001424562530 927245645 /nfs/dbraw/zinc/24/56/45/927245645.db2.gz LUUCHDFHOPYIQR-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001424562530 927245656 /nfs/dbraw/zinc/24/56/56/927245656.db2.gz LUUCHDFHOPYIQR-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001424635381 927248180 /nfs/dbraw/zinc/24/81/80/927248180.db2.gz IOIOHQDTCXXVHM-VHSXEESVSA-N 1 1 312.370 -1.918 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001424641975 927248298 /nfs/dbraw/zinc/24/82/98/927248298.db2.gz IWYLHCHIADRQJH-SNVBAGLBSA-N 1 1 324.385 -1.196 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)c2[nH]nnc2C)CC1 ZINC001424641969 927248557 /nfs/dbraw/zinc/24/85/57/927248557.db2.gz IWYLHCHIADRQJH-JTQLQIEISA-N 1 1 324.385 -1.196 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001424653145 927250270 /nfs/dbraw/zinc/25/02/70/927250270.db2.gz JPFHZICFVPEWSN-SECBINFHSA-N 1 1 311.342 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccn(C)n2)CC1 ZINC001424647915 927251067 /nfs/dbraw/zinc/25/10/67/927251067.db2.gz LCTZVZVFYYGYNO-JTQLQIEISA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001424647547 927251861 /nfs/dbraw/zinc/25/18/61/927251861.db2.gz HCLODZNCEYOUCT-RKDXNWHRSA-N 1 1 313.358 -2.515 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001424691356 927252340 /nfs/dbraw/zinc/25/23/40/927252340.db2.gz LRINLBAAIWMBHS-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001424691356 927252353 /nfs/dbraw/zinc/25/23/53/927252353.db2.gz LRINLBAAIWMBHS-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001424710041 927252735 /nfs/dbraw/zinc/25/27/35/927252735.db2.gz IVIMRPCQMOFAPX-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001424710041 927252743 /nfs/dbraw/zinc/25/27/43/927252743.db2.gz IVIMRPCQMOFAPX-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001424692786 927252814 /nfs/dbraw/zinc/25/28/14/927252814.db2.gz CMDQZPBSNOWBFF-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424701807 927253598 /nfs/dbraw/zinc/25/35/98/927253598.db2.gz JQIWFINTLSVHBZ-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001424701807 927253613 /nfs/dbraw/zinc/25/36/13/927253613.db2.gz JQIWFINTLSVHBZ-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001424691635 927254040 /nfs/dbraw/zinc/25/40/40/927254040.db2.gz AZWWEDRBTDHHMP-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001424691635 927254051 /nfs/dbraw/zinc/25/40/51/927254051.db2.gz AZWWEDRBTDHHMP-SECBINFHSA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001424691637 927254084 /nfs/dbraw/zinc/25/40/84/927254084.db2.gz AZWWEDRBTDHHMP-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001424691637 927254095 /nfs/dbraw/zinc/25/40/95/927254095.db2.gz AZWWEDRBTDHHMP-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001424698368 927254403 /nfs/dbraw/zinc/25/44/03/927254403.db2.gz VQDWTMZWELEKGN-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC001424806637 927259798 /nfs/dbraw/zinc/25/97/98/927259798.db2.gz BKDHTVDMXLEPLM-DTWKUNHWSA-N 1 1 310.358 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001424915096 927261014 /nfs/dbraw/zinc/26/10/14/927261014.db2.gz HALGHTYHVOOBCZ-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001424915096 927261032 /nfs/dbraw/zinc/26/10/32/927261032.db2.gz HALGHTYHVOOBCZ-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001424928385 927263395 /nfs/dbraw/zinc/26/33/95/927263395.db2.gz JHFBZENZIVBQKR-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424928385 927263404 /nfs/dbraw/zinc/26/34/04/927263404.db2.gz JHFBZENZIVBQKR-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001424936780 927263595 /nfs/dbraw/zinc/26/35/95/927263595.db2.gz FTZQNXHYFQELLE-LLVKDONJSA-N 1 1 312.370 -1.370 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001424926893 927263818 /nfs/dbraw/zinc/26/38/18/927263818.db2.gz GGWZGWSATNYEHL-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001424943872 927264052 /nfs/dbraw/zinc/26/40/52/927264052.db2.gz UTLUVUYUROIPOJ-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424943872 927264060 /nfs/dbraw/zinc/26/40/60/927264060.db2.gz UTLUVUYUROIPOJ-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001424938702 927264095 /nfs/dbraw/zinc/26/40/95/927264095.db2.gz MPXLOIDPTULTRS-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001424938702 927264109 /nfs/dbraw/zinc/26/41/09/927264109.db2.gz MPXLOIDPTULTRS-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001424938415 927264999 /nfs/dbraw/zinc/26/49/99/927264999.db2.gz LMLFBKGWUYTCPE-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001424933625 927265347 /nfs/dbraw/zinc/26/53/47/927265347.db2.gz PRDGTOHSJJASSX-GHMZBOCLSA-N 1 1 309.432 -1.011 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001424933625 927265358 /nfs/dbraw/zinc/26/53/58/927265358.db2.gz PRDGTOHSJJASSX-GHMZBOCLSA-N 1 1 309.432 -1.011 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001424928386 927265460 /nfs/dbraw/zinc/26/54/60/927265460.db2.gz JHFBZENZIVBQKR-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424928386 927265473 /nfs/dbraw/zinc/26/54/73/927265473.db2.gz JHFBZENZIVBQKR-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001424938427 927265654 /nfs/dbraw/zinc/26/56/54/927265654.db2.gz LMLFBKGWUYTCPE-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)CC(N)=O ZINC001424981436 927267148 /nfs/dbraw/zinc/26/71/48/927267148.db2.gz MZQZBLIZCCJFEL-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)CC(N)=O ZINC001424981436 927267160 /nfs/dbraw/zinc/26/71/60/927267160.db2.gz MZQZBLIZCCJFEL-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001424973528 927267485 /nfs/dbraw/zinc/26/74/85/927267485.db2.gz QSRWCDWCKSDMBW-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001424973528 927267500 /nfs/dbraw/zinc/26/75/00/927267500.db2.gz QSRWCDWCKSDMBW-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)NCC1CC1 ZINC001424978233 927267726 /nfs/dbraw/zinc/26/77/26/927267726.db2.gz IRQLQTGRQLEQLQ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001424978233 927267734 /nfs/dbraw/zinc/26/77/34/927267734.db2.gz IRQLQTGRQLEQLQ-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975329 927268021 /nfs/dbraw/zinc/26/80/21/927268021.db2.gz GVRNJVITEFTWGJ-QWRGUYRKSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975329 927268031 /nfs/dbraw/zinc/26/80/31/927268031.db2.gz GVRNJVITEFTWGJ-QWRGUYRKSA-N 1 1 313.402 -2.011 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CCCS(C)(=O)=O ZINC001424975787 927268161 /nfs/dbraw/zinc/26/81/61/927268161.db2.gz FJSANWDFLIJTSB-SECBINFHSA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCCS(C)(=O)=O ZINC001424975787 927268171 /nfs/dbraw/zinc/26/81/71/927268171.db2.gz FJSANWDFLIJTSB-SECBINFHSA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[N@@H+](C)CCn1cccn1 ZINC001425019971 927270369 /nfs/dbraw/zinc/27/03/69/927270369.db2.gz BOHYQUDXUVDGMD-MNOVXSKESA-N 1 1 322.369 -1.082 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnccc1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425042699 927272944 /nfs/dbraw/zinc/27/29/44/927272944.db2.gz QDQVGQBYFACSED-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001425033717 927273144 /nfs/dbraw/zinc/27/31/44/927273144.db2.gz UFOFYBFRAVZHRV-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425033717 927273152 /nfs/dbraw/zinc/27/31/52/927273152.db2.gz UFOFYBFRAVZHRV-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](CNC(=O)CCn1cnccc1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425042701 927273393 /nfs/dbraw/zinc/27/33/93/927273393.db2.gz QDQVGQBYFACSED-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035721 927273671 /nfs/dbraw/zinc/27/36/71/927273671.db2.gz FHQLGYVUFHHMOP-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035721 927273687 /nfs/dbraw/zinc/27/36/87/927273687.db2.gz FHQLGYVUFHHMOP-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035730 927275273 /nfs/dbraw/zinc/27/52/73/927275273.db2.gz FHQLGYVUFHHMOP-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001425035730 927275280 /nfs/dbraw/zinc/27/52/80/927275280.db2.gz FHQLGYVUFHHMOP-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001425029336 927275308 /nfs/dbraw/zinc/27/53/08/927275308.db2.gz LMTKPKXNCIPNFJ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001425056105 927275717 /nfs/dbraw/zinc/27/57/17/927275717.db2.gz FZNNXAWXEXIUGP-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001425056105 927275727 /nfs/dbraw/zinc/27/57/27/927275727.db2.gz FZNNXAWXEXIUGP-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnccc1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001425042700 927275777 /nfs/dbraw/zinc/27/57/77/927275777.db2.gz QDQVGQBYFACSED-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049059 927275818 /nfs/dbraw/zinc/27/58/18/927275818.db2.gz WOYYKABFJLTJSS-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049059 927275831 /nfs/dbraw/zinc/27/58/31/927275831.db2.gz WOYYKABFJLTJSS-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001425056567 927275883 /nfs/dbraw/zinc/27/58/83/927275883.db2.gz HHXHKAFRWBPLHI-STQMWFEESA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425054217 927275910 /nfs/dbraw/zinc/27/59/10/927275910.db2.gz VIPYITCAQXUORF-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001425079732 927276508 /nfs/dbraw/zinc/27/65/08/927276508.db2.gz UNQUPKXXXFZRCH-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001425079732 927276521 /nfs/dbraw/zinc/27/65/21/927276521.db2.gz UNQUPKXXXFZRCH-QMMMGPOBSA-N 1 1 311.342 -1.718 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001425067341 927277002 /nfs/dbraw/zinc/27/70/02/927277002.db2.gz KJSVDLZODGVSPV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001425067341 927277014 /nfs/dbraw/zinc/27/70/14/927277014.db2.gz KJSVDLZODGVSPV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001425094447 927278677 /nfs/dbraw/zinc/27/86/77/927278677.db2.gz WTAMDFDGYJKLBY-RYUDHWBXSA-N 1 1 310.398 -1.478 20 0 DAADMO O=C(Cn1ncnn1)NC1(CCO)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001425095634 927280403 /nfs/dbraw/zinc/28/04/03/927280403.db2.gz CCYVCWCOBGQUKC-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425134444 927285666 /nfs/dbraw/zinc/28/56/66/927285666.db2.gz JPVYDITYKVHMST-UHFFFAOYSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001425214328 927290749 /nfs/dbraw/zinc/29/07/49/927290749.db2.gz QHHWMHFYTGDHTI-NWDGAFQWSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@H](NC(=O)Cc1cc[nH]n1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001425226167 927293082 /nfs/dbraw/zinc/29/30/82/927293082.db2.gz CHJGZTKFQHXUEL-IUCAKERBSA-N 1 1 322.369 -1.028 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001425234160 927294474 /nfs/dbraw/zinc/29/44/74/927294474.db2.gz DUSPEUPPNAZSOT-VIFPVBQESA-N 1 1 307.354 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnccn1 ZINC001425268912 927296945 /nfs/dbraw/zinc/29/69/45/927296945.db2.gz FBTVJYWSGBWSDN-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)CNC(C)=O ZINC001425274905 927299004 /nfs/dbraw/zinc/29/90/04/927299004.db2.gz DLRSRGJHUGSZNV-LLVKDONJSA-N 1 1 316.402 -1.554 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001425285959 927302595 /nfs/dbraw/zinc/30/25/95/927302595.db2.gz DOLJYLZZKHTSBR-CYBMUJFWSA-N 1 1 300.359 -1.789 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001425285959 927302606 /nfs/dbraw/zinc/30/26/06/927302606.db2.gz DOLJYLZZKHTSBR-CYBMUJFWSA-N 1 1 300.359 -1.789 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@H+](CCOC)CCO2 ZINC001425287887 927303178 /nfs/dbraw/zinc/30/31/78/927303178.db2.gz GNKGBEMCPPINKS-CQSZACIVSA-N 1 1 314.386 -1.135 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(C1)C[N@@H+](CCOC)CCO2 ZINC001425287887 927303193 /nfs/dbraw/zinc/30/31/93/927303193.db2.gz GNKGBEMCPPINKS-CQSZACIVSA-N 1 1 314.386 -1.135 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321953 927316417 /nfs/dbraw/zinc/31/64/17/927316417.db2.gz AYEXEIUAJKHEFQ-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001425321953 927316429 /nfs/dbraw/zinc/31/64/29/927316429.db2.gz AYEXEIUAJKHEFQ-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1nonc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425321584 927316477 /nfs/dbraw/zinc/31/64/77/927316477.db2.gz BEFDKPHSCIQJIR-VHSXEESVSA-N 1 1 311.342 -1.321 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425321570 927316719 /nfs/dbraw/zinc/31/67/19/927316719.db2.gz BEFDKPHSCIQJIR-NXEZZACHSA-N 1 1 311.342 -1.321 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425321591 927317902 /nfs/dbraw/zinc/31/79/02/927317902.db2.gz BEFDKPHSCIQJIR-ZJUUUORDSA-N 1 1 311.342 -1.321 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001425325230 927318766 /nfs/dbraw/zinc/31/87/66/927318766.db2.gz XBENGRFOYUCBLP-KYXWUPHJSA-N 1 1 320.353 -1.099 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001425325994 927318980 /nfs/dbraw/zinc/31/89/80/927318980.db2.gz JQCLGKVBBZPOJV-RKDXNWHRSA-N 1 1 311.346 -2.489 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001425325976 927319285 /nfs/dbraw/zinc/31/92/85/927319285.db2.gz JQCLGKVBBZPOJV-BDAKNGLRSA-N 1 1 311.346 -2.489 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnc[nH]c1=O ZINC001425327197 927319936 /nfs/dbraw/zinc/31/99/36/927319936.db2.gz LDPGLAFNYCVJKF-KOLCDFICSA-N 1 1 323.353 -1.517 20 0 DAADMO Cc1cncn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425331804 927321160 /nfs/dbraw/zinc/32/11/60/927321160.db2.gz UKKLEQMOQVJWOB-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001425331354 927321233 /nfs/dbraw/zinc/32/12/33/927321233.db2.gz RBGZYWPGISZZGB-OWUUHHOZSA-N 1 1 320.353 -1.179 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001425330153 927321289 /nfs/dbraw/zinc/32/12/89/927321289.db2.gz RAIBBMSXGXPWOS-FVCCEPFGSA-N 1 1 308.382 -1.353 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425332360 927321383 /nfs/dbraw/zinc/32/13/83/927321383.db2.gz VXSSVGPRPNIKMA-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001425330929 927321605 /nfs/dbraw/zinc/32/16/05/927321605.db2.gz XDHCCZOWLYJLPK-XYYAHUGASA-N 1 1 310.398 -1.153 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425332355 927321710 /nfs/dbraw/zinc/32/17/10/927321710.db2.gz VXSSVGPRPNIKMA-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001425330995 927321798 /nfs/dbraw/zinc/32/17/98/927321798.db2.gz XJUUSONLRVPGSD-CNDDSTCGSA-N 1 1 309.370 -1.478 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425331953 927321968 /nfs/dbraw/zinc/32/19/68/927321968.db2.gz UWLUXBXFHURCLH-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425332198 927322051 /nfs/dbraw/zinc/32/20/51/927322051.db2.gz UWLUXBXFHURCLH-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1nccn1 ZINC001425340763 927323548 /nfs/dbraw/zinc/32/35/48/927323548.db2.gz XWYNERSBVXNLFM-QWRGUYRKSA-N 1 1 310.358 -2.034 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001425337229 927324430 /nfs/dbraw/zinc/32/44/30/927324430.db2.gz OLGIWDZHXBDGDE-DBIOUOCHSA-N 1 1 310.358 -1.875 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001425343350 927325219 /nfs/dbraw/zinc/32/52/19/927325219.db2.gz WDEOWJPJVHUDFC-CNDDSTCGSA-N 1 1 318.443 -1.010 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@@H]2C1 ZINC001425343560 927326522 /nfs/dbraw/zinc/32/65/22/927326522.db2.gz WXEKNKIDRDLWIO-KKOKHZNYSA-N 1 1 310.398 -1.072 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnnn2C)CC[N@H+]1C ZINC001425351894 927327648 /nfs/dbraw/zinc/32/76/48/927327648.db2.gz FGGFPAUHHCKDHK-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425349301 927328787 /nfs/dbraw/zinc/32/87/87/927328787.db2.gz BYUDZDZIQRILCE-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425356172 927330056 /nfs/dbraw/zinc/33/00/56/927330056.db2.gz YAQOAMQSSHUROP-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425356172 927330070 /nfs/dbraw/zinc/33/00/70/927330070.db2.gz YAQOAMQSSHUROP-NWDGAFQWSA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC001425362294 927335556 /nfs/dbraw/zinc/33/55/56/927335556.db2.gz PTTCUDVFGVRLKY-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCNC(N)=O)[C@@H]2C1 ZINC001425363120 927335786 /nfs/dbraw/zinc/33/57/86/927335786.db2.gz LNSDDCUIDMXABW-MMWGEVLESA-N 1 1 311.386 -1.397 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CC1(O)CCC1 ZINC001425365481 927336108 /nfs/dbraw/zinc/33/61/08/927336108.db2.gz DLBVBEYXCDQALP-VXGBXAGGSA-N 1 1 313.398 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CC2(O)CCC2)C1 ZINC001425369352 927339500 /nfs/dbraw/zinc/33/95/00/927339500.db2.gz KPACBYNZNXDDIB-NEPJUHHUSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CC2(O)CCC2)C1 ZINC001425387683 927342028 /nfs/dbraw/zinc/34/20/28/927342028.db2.gz BZDGCXXZEWHGPK-VXGBXAGGSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2cnnn2)C1 ZINC001425390307 927344654 /nfs/dbraw/zinc/34/46/54/927344654.db2.gz ICXMVAQHCZPSBN-NXEZZACHSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cnnn2)C1 ZINC001425390314 927344781 /nfs/dbraw/zinc/34/47/81/927344781.db2.gz ICXMVAQHCZPSBN-VHSXEESVSA-N 1 1 311.346 -2.782 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001425391280 927345213 /nfs/dbraw/zinc/34/52/13/927345213.db2.gz JNWMZMGZILIBEU-NXEZZACHSA-N 1 1 324.385 -1.839 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001425394811 927345721 /nfs/dbraw/zinc/34/57/21/927345721.db2.gz RKPAWIHMJQNONB-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ccnn1C ZINC001425391637 927347018 /nfs/dbraw/zinc/34/70/18/927347018.db2.gz MKCBHRLXTWUEGY-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001425398252 927348368 /nfs/dbraw/zinc/34/83/68/927348368.db2.gz YYQOXTBUCSHKAJ-NSHDSACASA-N 1 1 306.326 -1.178 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001425403785 927350173 /nfs/dbraw/zinc/35/01/73/927350173.db2.gz DOWJRVRUQDAIAE-LBPRGKRZSA-N 1 1 311.386 -1.183 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001425428325 927354704 /nfs/dbraw/zinc/35/47/04/927354704.db2.gz XXBHGLPREJYYMT-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001425420399 927357015 /nfs/dbraw/zinc/35/70/15/927357015.db2.gz KVYSYNLXDAJANQ-HOMQSWHASA-N 1 1 319.373 -1.055 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001425438978 927359857 /nfs/dbraw/zinc/35/98/57/927359857.db2.gz FAQLRBOTAOTIOW-NSHDSACASA-N 1 1 312.374 -1.246 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425438765 927360099 /nfs/dbraw/zinc/36/00/99/927360099.db2.gz ABVCMFQMISYGMO-NSHDSACASA-N 1 1 311.342 -2.079 20 0 DAADMO CCOCC(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425442346 927360901 /nfs/dbraw/zinc/36/09/01/927360901.db2.gz LEUQOAVUSOBHBK-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001425442771 927361046 /nfs/dbraw/zinc/36/10/46/927361046.db2.gz LTWKJCUYCDIECN-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001425447007 927362182 /nfs/dbraw/zinc/36/21/82/927362182.db2.gz ZMFAHLIGFCKNCY-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)COCC(F)F ZINC001425443655 927363627 /nfs/dbraw/zinc/36/36/27/927363627.db2.gz NWJSDNYDSKNJKG-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 ZINC001425445897 927364339 /nfs/dbraw/zinc/36/43/39/927364339.db2.gz MUMWSMSBVAULHE-NWDGAFQWSA-N 1 1 310.354 -1.036 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001425475314 927372169 /nfs/dbraw/zinc/37/21/69/927372169.db2.gz QQLYZAUAEHXTMB-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425475314 927372180 /nfs/dbraw/zinc/37/21/80/927372180.db2.gz QQLYZAUAEHXTMB-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425475314 927372190 /nfs/dbraw/zinc/37/21/90/927372190.db2.gz QQLYZAUAEHXTMB-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425475314 927372201 /nfs/dbraw/zinc/37/22/01/927372201.db2.gz QQLYZAUAEHXTMB-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425475314 927372212 /nfs/dbraw/zinc/37/22/12/927372212.db2.gz QQLYZAUAEHXTMB-SECBINFHSA-N 1 1 312.374 -1.258 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425476206 927372442 /nfs/dbraw/zinc/37/24/42/927372442.db2.gz GKDKLWZIGDXZMF-NXEZZACHSA-N 1 1 323.357 -1.355 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425471116 927373629 /nfs/dbraw/zinc/37/36/29/927373629.db2.gz XNGHBPLNBBDADT-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425471114 927373699 /nfs/dbraw/zinc/37/36/99/927373699.db2.gz XNGHBPLNBBDADT-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO CC1CC[NH+](CC(=O)NC[C@@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001425483461 927374803 /nfs/dbraw/zinc/37/48/03/927374803.db2.gz FNKHITFUGDPTPG-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425479514 927375337 /nfs/dbraw/zinc/37/53/37/927375337.db2.gz WBRUZKGDYANXST-WCBMZHEXSA-N 1 1 324.389 -1.407 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001425524619 927387081 /nfs/dbraw/zinc/38/70/81/927387081.db2.gz FZPXURLTCHLZRZ-JTQLQIEISA-N 1 1 324.385 -1.119 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1cn(C)nn1 ZINC001425524332 927387163 /nfs/dbraw/zinc/38/71/63/927387163.db2.gz RGUYOVGOLQZWFP-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001425532376 927389254 /nfs/dbraw/zinc/38/92/54/927389254.db2.gz IDERDYGAGLWUPJ-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001425526091 927390346 /nfs/dbraw/zinc/39/03/46/927390346.db2.gz TZTHWUAGTFFEAV-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001425604577 927396878 /nfs/dbraw/zinc/39/68/78/927396878.db2.gz RQZNFPQBSUUWDH-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001425601660 927398133 /nfs/dbraw/zinc/39/81/33/927398133.db2.gz NCGKNYHLEFRXNT-MWLCHTKSSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001425685728 927399583 /nfs/dbraw/zinc/39/95/83/927399583.db2.gz RWMIZHJVCMKWRY-PSASIEDQSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001425685745 927400675 /nfs/dbraw/zinc/40/06/75/927400675.db2.gz RWMIZHJVCMKWRY-WPRPVWTQSA-N 1 1 317.371 -1.302 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnns2)C1 ZINC001425723999 927407627 /nfs/dbraw/zinc/40/76/27/927407627.db2.gz AHTNFRURUXLNLL-MWLCHTKSSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NCc2cnns2)C1 ZINC001425723999 927407636 /nfs/dbraw/zinc/40/76/36/927407636.db2.gz AHTNFRURUXLNLL-MWLCHTKSSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnns2)C1 ZINC001425723995 927407663 /nfs/dbraw/zinc/40/76/63/927407663.db2.gz AHTNFRURUXLNLL-KOLCDFICSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnns2)C1 ZINC001425723995 927407676 /nfs/dbraw/zinc/40/76/76/927407676.db2.gz AHTNFRURUXLNLL-KOLCDFICSA-N 1 1 315.399 -1.565 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1cnccn1 ZINC001425720501 927407998 /nfs/dbraw/zinc/40/79/98/927407998.db2.gz IIQQROQJODJHCE-UWVGGRQHSA-N 1 1 311.342 -1.483 20 0 DAADMO Cc1ccnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001425724089 927408728 /nfs/dbraw/zinc/40/87/28/927408728.db2.gz AUYQBBBXFIZBLO-STQMWFEESA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1ccnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001425724089 927408735 /nfs/dbraw/zinc/40/87/35/927408735.db2.gz AUYQBBBXFIZBLO-STQMWFEESA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001425726471 927408922 /nfs/dbraw/zinc/40/89/22/927408922.db2.gz UNRZYFJVDRERNW-VIFPVBQESA-N 1 1 305.356 -1.406 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1cnccn1 ZINC001425720499 927409368 /nfs/dbraw/zinc/40/93/68/927409368.db2.gz IIQQROQJODJHCE-NXEZZACHSA-N 1 1 311.342 -1.483 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)C1 ZINC001425727046 927410427 /nfs/dbraw/zinc/41/04/27/927410427.db2.gz PAVJFABZJRJNBA-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)C1 ZINC001425727046 927410433 /nfs/dbraw/zinc/41/04/33/927410433.db2.gz PAVJFABZJRJNBA-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1snnc1C ZINC001425729939 927412148 /nfs/dbraw/zinc/41/21/48/927412148.db2.gz DRZMBVYLOULUGF-SNVBAGLBSA-N 1 1 315.399 -1.108 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001425738123 927417426 /nfs/dbraw/zinc/41/74/26/927417426.db2.gz PSYHEEZGSDTCBM-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001425743975 927418493 /nfs/dbraw/zinc/41/84/93/927418493.db2.gz ZSYKYPHMVOSDEI-CMPLNLGQSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001425741830 927419412 /nfs/dbraw/zinc/41/94/12/927419412.db2.gz WELRQFBXCPPSQJ-CYBMUJFWSA-N 1 1 312.370 -1.118 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001425748965 927421549 /nfs/dbraw/zinc/42/15/49/927421549.db2.gz BVFHOKHUMSSHSL-MNOVXSKESA-N 1 1 320.357 -1.401 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2ncn(C)n2)ncn1 ZINC001425745930 927422952 /nfs/dbraw/zinc/42/29/52/927422952.db2.gz OXIFZXXZZKVGAR-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CN(CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)C(=O)C1CC1 ZINC001425753427 927424925 /nfs/dbraw/zinc/42/49/25/927424925.db2.gz FIGDEKNVNJMINM-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001425753439 927425276 /nfs/dbraw/zinc/42/52/76/927425276.db2.gz OIHCYHHBVKBBMB-SECBINFHSA-N 1 1 312.374 -1.439 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)C1CCC1 ZINC001425753439 927425283 /nfs/dbraw/zinc/42/52/83/927425283.db2.gz OIHCYHHBVKBBMB-SECBINFHSA-N 1 1 312.374 -1.439 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001425753379 927425570 /nfs/dbraw/zinc/42/55/70/927425570.db2.gz DVYDVXMFMWXOAY-NSHDSACASA-N 1 1 313.333 -1.284 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001425753376 927425634 /nfs/dbraw/zinc/42/56/34/927425634.db2.gz DVYDVXMFMWXOAY-LLVKDONJSA-N 1 1 313.333 -1.284 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001425762412 927431664 /nfs/dbraw/zinc/43/16/64/927431664.db2.gz WKZYNKICPFPTOI-KBPBESRZSA-N 1 1 324.425 -1.327 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001425762531 927432760 /nfs/dbraw/zinc/43/27/60/927432760.db2.gz GHWLYELPLJAVBQ-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H](CO)[NH2+]Cc1cc(C2CC2)no1 ZINC001425763989 927433129 /nfs/dbraw/zinc/43/31/29/927433129.db2.gz YBHHYYKRDNXOMV-SNVBAGLBSA-N 1 1 321.341 -1.195 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1 ZINC001425769148 927435013 /nfs/dbraw/zinc/43/50/13/927435013.db2.gz ZWUAHAMRUXULRH-YPMHNXCESA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)cn1 ZINC001425769146 927435100 /nfs/dbraw/zinc/43/51/00/927435100.db2.gz ZWUAHAMRUXULRH-WCQYABFASA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425768164 927435205 /nfs/dbraw/zinc/43/52/05/927435205.db2.gz CBVAPRFVDJCFFU-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001425775851 927439854 /nfs/dbraw/zinc/43/98/54/927439854.db2.gz NKIAPSXNHRZJDU-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425796983 927451013 /nfs/dbraw/zinc/45/10/13/927451013.db2.gz KANCGPLKHGHTPZ-MNOVXSKESA-N 1 1 324.385 -1.684 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccn(C)n1 ZINC001425798321 927453144 /nfs/dbraw/zinc/45/31/44/927453144.db2.gz NBUXABICHFWBDO-VXGBXAGGSA-N 1 1 323.397 -1.079 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001425797714 927453253 /nfs/dbraw/zinc/45/32/53/927453253.db2.gz XLHSDHPTNCLYMY-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001425807807 927455824 /nfs/dbraw/zinc/45/58/24/927455824.db2.gz AOQRQEOXSHYPBP-MNOVXSKESA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)[nH]c1=O ZINC001425812329 927458920 /nfs/dbraw/zinc/45/89/20/927458920.db2.gz XXHAUMRMBIVIEQ-SSDOTTSWSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1cn[nH]c1 ZINC001425817159 927459610 /nfs/dbraw/zinc/45/96/10/927459610.db2.gz GUDYVBJBAMAKBE-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NCc1ccon1 ZINC001425814675 927460298 /nfs/dbraw/zinc/46/02/98/927460298.db2.gz NVNJTHPVMVSWHF-CYBMUJFWSA-N 1 1 312.370 -1.036 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1cn[nH]c1 ZINC001425817163 927460679 /nfs/dbraw/zinc/46/06/79/927460679.db2.gz GUDYVBJBAMAKBE-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001425826883 927465145 /nfs/dbraw/zinc/46/51/45/927465145.db2.gz CRQCWTLOQHCVNK-VXGBXAGGSA-N 1 1 300.403 -1.469 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425826883 927465150 /nfs/dbraw/zinc/46/51/50/927465150.db2.gz CRQCWTLOQHCVNK-VXGBXAGGSA-N 1 1 300.403 -1.469 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cncn1C ZINC001425833107 927468498 /nfs/dbraw/zinc/46/84/98/927468498.db2.gz QIGDSCCKAQCKGP-NEPJUHHUSA-N 1 1 323.397 -1.079 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001425840333 927470542 /nfs/dbraw/zinc/47/05/42/927470542.db2.gz LSGBTLSOKNCLJG-QWHCGFSZSA-N 1 1 312.414 -1.182 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001425837829 927471388 /nfs/dbraw/zinc/47/13/88/927471388.db2.gz PUMFRNUNHWOGKF-NSHDSACASA-N 1 1 322.373 -1.535 20 0 DAADMO Cn1cc(CC[NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001425837998 927471930 /nfs/dbraw/zinc/47/19/30/927471930.db2.gz XYUIOVKMMCYFLR-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001425839604 927471997 /nfs/dbraw/zinc/47/19/97/927471997.db2.gz UPRDTTXLYXWPNC-MNOVXSKESA-N 1 1 311.390 -1.881 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CCC(=O)N1 ZINC001425845761 927473751 /nfs/dbraw/zinc/47/37/51/927473751.db2.gz VVGUTCMPRQMCAD-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001425848990 927476511 /nfs/dbraw/zinc/47/65/11/927476511.db2.gz GLYZCYXZUQFMDJ-VIFPVBQESA-N 1 1 319.387 -2.464 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001425856272 927479267 /nfs/dbraw/zinc/47/92/67/927479267.db2.gz MYZMBFPZUDKNKM-LLVKDONJSA-N 1 1 323.353 -1.099 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)c(=O)n2C)o1 ZINC001425858396 927481542 /nfs/dbraw/zinc/48/15/42/927481542.db2.gz POIFOGYCNDPFES-SNVBAGLBSA-N 1 1 323.353 -1.099 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001425922744 927488207 /nfs/dbraw/zinc/48/82/07/927488207.db2.gz PDTTWHAVLKFGSD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001425923229 927488326 /nfs/dbraw/zinc/48/83/26/927488326.db2.gz SOOQIANCTVYFMX-NXEZZACHSA-N 1 1 315.399 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001425908165 927488530 /nfs/dbraw/zinc/48/85/30/927488530.db2.gz CMDNZLVWTMATGD-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001425908165 927488534 /nfs/dbraw/zinc/48/85/34/927488534.db2.gz CMDNZLVWTMATGD-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 ZINC001425900062 927489569 /nfs/dbraw/zinc/48/95/69/927489569.db2.gz IENUAGPDXIXLIT-IINYFYTJSA-N 1 1 311.386 -1.096 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCOC1 ZINC001425977370 927491210 /nfs/dbraw/zinc/49/12/10/927491210.db2.gz AUUKOZRHEDWDQE-GHMZBOCLSA-N 1 1 312.374 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001425977001 927491412 /nfs/dbraw/zinc/49/14/12/927491412.db2.gz YOQAWTNYUVUBNC-GFCCVEGCSA-N 1 1 309.370 -1.136 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001425924000 927491430 /nfs/dbraw/zinc/49/14/30/927491430.db2.gz GJAVMSJRRLMRAE-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCNC(N)=O ZINC001425929546 927491877 /nfs/dbraw/zinc/49/18/77/927491877.db2.gz ZVTCATZJIAMFJG-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001425991492 927496538 /nfs/dbraw/zinc/49/65/38/927496538.db2.gz VOYHUCDXFQOABZ-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1=CCOCC1 ZINC001425991057 927496696 /nfs/dbraw/zinc/49/66/96/927496696.db2.gz AKQMOZIBTGGQHT-LLVKDONJSA-N 1 1 310.358 -1.534 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@@H]1COC(=O)C1 ZINC001425988947 927497084 /nfs/dbraw/zinc/49/70/84/927497084.db2.gz UECATTXFWYNKQO-GXSJLCMTSA-N 1 1 312.326 -1.068 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001426006812 927499051 /nfs/dbraw/zinc/49/90/51/927499051.db2.gz OJVLFDGYDVQGOQ-VIFPVBQESA-N 1 1 313.362 -2.347 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C)n1cncn1 ZINC001426000013 927499164 /nfs/dbraw/zinc/49/91/64/927499164.db2.gz MQZREKKXHNQNJF-WDEREUQCSA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cncnc1 ZINC001426007077 927499960 /nfs/dbraw/zinc/49/99/60/927499960.db2.gz UTBDVHVVZBXRQH-GFCCVEGCSA-N 1 1 305.342 -1.172 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001426002217 927500231 /nfs/dbraw/zinc/50/02/31/927500231.db2.gz FVOHKJWCELJTIN-SNVBAGLBSA-N 1 1 309.330 -1.096 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001426012728 927501933 /nfs/dbraw/zinc/50/19/33/927501933.db2.gz WEUZFMQTBVXHDM-MNOVXSKESA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ncn(C)n2)[nH]1 ZINC001426010104 927502284 /nfs/dbraw/zinc/50/22/84/927502284.db2.gz QLSVETJVUKYRLU-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001426011152 927503803 /nfs/dbraw/zinc/50/38/03/927503803.db2.gz FYJWASAEKIDHGT-BDAKNGLRSA-N 1 1 313.362 -2.370 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001426017875 927504752 /nfs/dbraw/zinc/50/47/52/927504752.db2.gz ZQQQJZCXNIXGDS-WPRPVWTQSA-N 1 1 313.314 -1.605 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnnn2C)[nH]1 ZINC001426013731 927505293 /nfs/dbraw/zinc/50/52/93/927505293.db2.gz UWHZAFFRYHJZBF-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001426019698 927505622 /nfs/dbraw/zinc/50/56/22/927505622.db2.gz BHFFBYXNRLMYMY-NXEZZACHSA-N 1 1 308.342 -1.933 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1cncn1 ZINC001426042163 927515618 /nfs/dbraw/zinc/51/56/18/927515618.db2.gz VEJJNXOLRQEWIK-NSHDSACASA-N 1 1 308.346 -1.984 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1 ZINC001426057663 927518869 /nfs/dbraw/zinc/51/88/69/927518869.db2.gz UKDZALMPGGTJBV-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001426068529 927520136 /nfs/dbraw/zinc/52/01/36/927520136.db2.gz SFDLMDVCKRXDIJ-GHMZBOCLSA-N 1 1 322.369 -1.130 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(=O)n(C)cn1 ZINC001426066959 927520199 /nfs/dbraw/zinc/52/01/99/927520199.db2.gz MZZNGYLUTQTOFR-NSHDSACASA-N 1 1 312.370 -1.473 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001426061461 927520332 /nfs/dbraw/zinc/52/03/32/927520332.db2.gz NYBSMSHGSVHNGG-GXSJLCMTSA-N 1 1 324.385 -1.745 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058926 927520418 /nfs/dbraw/zinc/52/04/18/927520418.db2.gz IEIGZZQDCSWQIN-DTWKUNHWSA-N 1 1 312.374 -1.759 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058926 927520423 /nfs/dbraw/zinc/52/04/23/927520423.db2.gz IEIGZZQDCSWQIN-DTWKUNHWSA-N 1 1 312.374 -1.759 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001426063299 927520947 /nfs/dbraw/zinc/52/09/47/927520947.db2.gz YPIJVIGKKQGOAC-STQMWFEESA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001426061542 927521321 /nfs/dbraw/zinc/52/13/21/927521321.db2.gz BASGXGILRLCNJI-JTQLQIEISA-N 1 1 316.358 -2.918 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001426061542 927521336 /nfs/dbraw/zinc/52/13/36/927521336.db2.gz BASGXGILRLCNJI-JTQLQIEISA-N 1 1 316.358 -2.918 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063736 927521586 /nfs/dbraw/zinc/52/15/86/927521586.db2.gz DSVHWWNKMFRFRR-PWSUYJOCSA-N 1 1 322.427 -1.447 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063736 927521593 /nfs/dbraw/zinc/52/15/93/927521593.db2.gz DSVHWWNKMFRFRR-PWSUYJOCSA-N 1 1 322.427 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001426060714 927522128 /nfs/dbraw/zinc/52/21/28/927522128.db2.gz LXWRXANAWDAKTB-VHSXEESVSA-N 1 1 301.343 -1.824 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001426060714 927522137 /nfs/dbraw/zinc/52/21/37/927522137.db2.gz LXWRXANAWDAKTB-VHSXEESVSA-N 1 1 301.343 -1.824 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(C)=O ZINC001426064015 927522251 /nfs/dbraw/zinc/52/22/51/927522251.db2.gz OFGHLCIIZVVXPF-MWLCHTKSSA-N 1 1 302.375 -1.008 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001426063904 927522497 /nfs/dbraw/zinc/52/24/97/927522497.db2.gz PRVPLCXYCXLOKT-NWDGAFQWSA-N 1 1 312.370 -1.151 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001426058440 927522989 /nfs/dbraw/zinc/52/29/89/927522989.db2.gz ILKRCUXQZIVAQC-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001426058440 927522999 /nfs/dbraw/zinc/52/29/99/927522999.db2.gz ILKRCUXQZIVAQC-YUMQZZPRSA-N 1 1 301.372 -1.223 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001426077466 927523674 /nfs/dbraw/zinc/52/36/74/927523674.db2.gz BLZFDODQZQPZAX-ZJUUUORDSA-N 1 1 302.375 -2.005 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001426077466 927523688 /nfs/dbraw/zinc/52/36/88/927523688.db2.gz BLZFDODQZQPZAX-ZJUUUORDSA-N 1 1 302.375 -2.005 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]cc2c1 ZINC001426070529 927523812 /nfs/dbraw/zinc/52/38/12/927523812.db2.gz YPLLIXIEURCTPF-LLVKDONJSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2n[nH]cc2c1 ZINC001426070529 927523828 /nfs/dbraw/zinc/52/38/28/927523828.db2.gz YPLLIXIEURCTPF-LLVKDONJSA-N 1 1 320.353 -1.192 20 0 DAADMO Cc1ncc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001426076869 927524131 /nfs/dbraw/zinc/52/41/31/927524131.db2.gz XIISEYGORNGLFD-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1ncc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001426076869 927524138 /nfs/dbraw/zinc/52/41/38/927524138.db2.gz XIISEYGORNGLFD-LLVKDONJSA-N 1 1 323.357 -1.079 20 0 DAADMO CC(C)[C@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077311 927524542 /nfs/dbraw/zinc/52/45/42/927524542.db2.gz BALHCGNDAMCMFC-ONGXEEELSA-N 1 1 320.365 -1.074 20 0 DAADMO CC(C)[C@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077311 927524558 /nfs/dbraw/zinc/52/45/58/927524558.db2.gz BALHCGNDAMCMFC-ONGXEEELSA-N 1 1 320.365 -1.074 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001426072749 927524638 /nfs/dbraw/zinc/52/46/38/927524638.db2.gz FHYXHIHGBBHBNA-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001426072749 927524645 /nfs/dbraw/zinc/52/46/45/927524645.db2.gz FHYXHIHGBBHBNA-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426076653 927524796 /nfs/dbraw/zinc/52/47/96/927524796.db2.gz AJQSSZUTYQIBRX-RYUDHWBXSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426076653 927524801 /nfs/dbraw/zinc/52/48/01/927524801.db2.gz AJQSSZUTYQIBRX-RYUDHWBXSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001426076660 927524825 /nfs/dbraw/zinc/52/48/25/927524825.db2.gz AJQSSZUTYQIBRX-VXGBXAGGSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001426076660 927524837 /nfs/dbraw/zinc/52/48/37/927524837.db2.gz AJQSSZUTYQIBRX-VXGBXAGGSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001426070079 927525013 /nfs/dbraw/zinc/52/50/13/927525013.db2.gz HGOBOBNOFPTARU-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCCC1=O ZINC001426070079 927525025 /nfs/dbraw/zinc/52/50/25/927525025.db2.gz HGOBOBNOFPTARU-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CN1CCN(C)C(=O)C1 ZINC001426070264 927525347 /nfs/dbraw/zinc/52/53/47/927525347.db2.gz VFXOWZMROZMVIW-GFCCVEGCSA-N 1 1 318.393 -1.519 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CN1CCN(C)C(=O)C1 ZINC001426070264 927525355 /nfs/dbraw/zinc/52/53/55/927525355.db2.gz VFXOWZMROZMVIW-GFCCVEGCSA-N 1 1 318.393 -1.519 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001426070201 927526162 /nfs/dbraw/zinc/52/61/62/927526162.db2.gz HUOJLVVFKXPIKY-VXGBXAGGSA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001426069976 927526228 /nfs/dbraw/zinc/52/62/28/927526228.db2.gz KXRKAJXYRBVQMI-MNOVXSKESA-N 1 1 309.370 -1.327 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(=O)NC ZINC001426073314 927526442 /nfs/dbraw/zinc/52/64/42/927526442.db2.gz SCFYLEIYOQNRCS-GHMZBOCLSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001426073314 927526453 /nfs/dbraw/zinc/52/64/53/927526453.db2.gz SCFYLEIYOQNRCS-GHMZBOCLSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088316 927526910 /nfs/dbraw/zinc/52/69/10/927526910.db2.gz QFCGAPGAOBPCPS-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088316 927526919 /nfs/dbraw/zinc/52/69/19/927526919.db2.gz QFCGAPGAOBPCPS-UWVGGRQHSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001426080885 927527066 /nfs/dbraw/zinc/52/70/66/927527066.db2.gz JTMPQCLZPPEBOU-QMMMGPOBSA-N 1 1 319.387 -1.558 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001426081119 927527583 /nfs/dbraw/zinc/52/75/83/927527583.db2.gz RLKJYZUHMQQRFL-ZJUUUORDSA-N 1 1 310.358 -1.634 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001426090732 927527647 /nfs/dbraw/zinc/52/76/47/927527647.db2.gz UHIRJCZBELDKQV-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001426090732 927527654 /nfs/dbraw/zinc/52/76/54/927527654.db2.gz UHIRJCZBELDKQV-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086610 927527873 /nfs/dbraw/zinc/52/78/73/927527873.db2.gz NQSYIGZWVREDKS-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001426086610 927527880 /nfs/dbraw/zinc/52/78/80/927527880.db2.gz NQSYIGZWVREDKS-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090672 927528144 /nfs/dbraw/zinc/52/81/44/927528144.db2.gz UBERBMONNOEWIA-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001426090672 927528149 /nfs/dbraw/zinc/52/81/49/927528149.db2.gz UBERBMONNOEWIA-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001426078688 927528742 /nfs/dbraw/zinc/52/87/42/927528742.db2.gz DAEXPMHGLAYHSM-UWVGGRQHSA-N 1 1 318.349 -1.079 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001426082917 927528856 /nfs/dbraw/zinc/52/88/56/927528856.db2.gz YMHOIDRDQJOFJA-MNOVXSKESA-N 1 1 300.359 -1.218 20 0 DAADMO CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001426078648 927529520 /nfs/dbraw/zinc/52/95/20/927529520.db2.gz HNEZYWWLRYZSRX-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001426090675 927529640 /nfs/dbraw/zinc/52/96/40/927529640.db2.gz GMFLXSZLHHFGNZ-NXEZZACHSA-N 1 1 301.347 -1.823 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001426093082 927530557 /nfs/dbraw/zinc/53/05/57/927530557.db2.gz XYLDMISYAIJOCA-SNVBAGLBSA-N 1 1 313.358 -1.169 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001426093082 927530562 /nfs/dbraw/zinc/53/05/62/927530562.db2.gz XYLDMISYAIJOCA-SNVBAGLBSA-N 1 1 313.358 -1.169 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001426098243 927531095 /nfs/dbraw/zinc/53/10/95/927531095.db2.gz QELOBQXKPRTUFP-WDEREUQCSA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001426098243 927531100 /nfs/dbraw/zinc/53/11/00/927531100.db2.gz QELOBQXKPRTUFP-WDEREUQCSA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001426093817 927531692 /nfs/dbraw/zinc/53/16/92/927531692.db2.gz DKQYOYNQAFEURQ-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001426093817 927531706 /nfs/dbraw/zinc/53/17/06/927531706.db2.gz DKQYOYNQAFEURQ-QWRGUYRKSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001426102741 927532119 /nfs/dbraw/zinc/53/21/19/927532119.db2.gz RFTHZNKBJYAHCO-GFCCVEGCSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC1CC1)C(=O)Cn1cncn1 ZINC001426102741 927532127 /nfs/dbraw/zinc/53/21/27/927532127.db2.gz RFTHZNKBJYAHCO-GFCCVEGCSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001426095141 927532142 /nfs/dbraw/zinc/53/21/42/927532142.db2.gz FYGNWRBNQDSYPP-SNVBAGLBSA-N 1 1 322.369 -1.227 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn2cc[nH]c12 ZINC001426095141 927532156 /nfs/dbraw/zinc/53/21/56/927532156.db2.gz FYGNWRBNQDSYPP-SNVBAGLBSA-N 1 1 322.369 -1.227 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001426094311 927532832 /nfs/dbraw/zinc/53/28/32/927532832.db2.gz BLEGWCMRXCXPCP-BDAKNGLRSA-N 1 1 324.403 -2.840 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001426094311 927532840 /nfs/dbraw/zinc/53/28/40/927532840.db2.gz BLEGWCMRXCXPCP-BDAKNGLRSA-N 1 1 324.403 -2.840 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001426127441 927534247 /nfs/dbraw/zinc/53/42/47/927534247.db2.gz GSIXPHIAYXTWDB-LLVKDONJSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@H](C)O ZINC001426166910 927534846 /nfs/dbraw/zinc/53/48/46/927534846.db2.gz XLOCVBSINHSSJF-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@H](C)O ZINC001426157997 927535336 /nfs/dbraw/zinc/53/53/36/927535336.db2.gz XKUDAYFEPAQGSD-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)C[C@H](C)O ZINC001426170387 927535373 /nfs/dbraw/zinc/53/53/73/927535373.db2.gz VVQBYEKXVROJAA-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C(=O)CCn1cncn1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001426220445 927536631 /nfs/dbraw/zinc/53/66/31/927536631.db2.gz WIVFOCMEZOLIPD-UHFFFAOYSA-N 1 1 319.373 -1.029 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001426221609 927536845 /nfs/dbraw/zinc/53/68/45/927536845.db2.gz HCNKWGDIYVCMCQ-UHFFFAOYSA-N 1 1 315.399 -1.029 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)COC)C2)C1 ZINC001426506646 927545986 /nfs/dbraw/zinc/54/59/86/927545986.db2.gz KBDMQILIUHEKCH-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)COC)C2)C1 ZINC001426506646 927545996 /nfs/dbraw/zinc/54/59/96/927545996.db2.gz KBDMQILIUHEKCH-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001426561900 927556383 /nfs/dbraw/zinc/55/63/83/927556383.db2.gz UBRORMULLPGKJN-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426563714 927557195 /nfs/dbraw/zinc/55/71/95/927557195.db2.gz JZHPQMKGVIFYBJ-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426563714 927557208 /nfs/dbraw/zinc/55/72/08/927557208.db2.gz JZHPQMKGVIFYBJ-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426598498 927558871 /nfs/dbraw/zinc/55/88/71/927558871.db2.gz DBXUSBGJOQJKNT-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001426637980 927562134 /nfs/dbraw/zinc/56/21/34/927562134.db2.gz CJICUDAORZGBJY-OLZOCXBDSA-N 1 1 323.397 -1.089 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001426637978 927563208 /nfs/dbraw/zinc/56/32/08/927563208.db2.gz CGKQSEJIOIUMCJ-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC001426669801 927571555 /nfs/dbraw/zinc/57/15/55/927571555.db2.gz PGKATQBLMVXNFA-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cn[nH]n2)C1 ZINC001426885487 927586687 /nfs/dbraw/zinc/58/66/87/927586687.db2.gz AFPQPSUZEUTPFO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1 ZINC001426885487 927586697 /nfs/dbraw/zinc/58/66/97/927586697.db2.gz AFPQPSUZEUTPFO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1 ZINC001426885487 927586702 /nfs/dbraw/zinc/58/67/02/927586702.db2.gz AFPQPSUZEUTPFO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(O)(C(N)=O)CC1 ZINC001426908590 927588532 /nfs/dbraw/zinc/58/85/32/927588532.db2.gz NOUHHBHGRRTQHQ-LLVKDONJSA-N 1 1 313.402 -1.746 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC001426906965 927588763 /nfs/dbraw/zinc/58/87/63/927588763.db2.gz JQQPBNCWEOSDKU-NWDGAFQWSA-N 1 1 311.390 -1.816 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001427108509 927595490 /nfs/dbraw/zinc/59/54/90/927595490.db2.gz ZTVXEUPIDVBBMD-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001427374697 927607896 /nfs/dbraw/zinc/60/78/96/927607896.db2.gz QZOKORRHHKAOFG-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516685 927616056 /nfs/dbraw/zinc/61/60/56/927616056.db2.gz UPHZJOIDTNLGRG-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001427516685 927616060 /nfs/dbraw/zinc/61/60/60/927616060.db2.gz UPHZJOIDTNLGRG-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1ncnn1 ZINC001427563534 927618138 /nfs/dbraw/zinc/61/81/38/927618138.db2.gz HJVYRDNLEXAUMV-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC001427649799 927623373 /nfs/dbraw/zinc/62/33/73/927623373.db2.gz TVFTUUAQEOXLQZ-LLVKDONJSA-N 1 1 322.431 -1.414 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCS(=O)(=O)N(C)C ZINC001427649799 927623384 /nfs/dbraw/zinc/62/33/84/927623384.db2.gz TVFTUUAQEOXLQZ-LLVKDONJSA-N 1 1 322.431 -1.414 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001427672244 927625136 /nfs/dbraw/zinc/62/51/36/927625136.db2.gz GLYGHYHHQXDMFU-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001427725554 927629593 /nfs/dbraw/zinc/62/95/93/927629593.db2.gz AEGMDAFSYYFXIR-NSHDSACASA-N 1 1 303.359 -2.052 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001427735525 927634613 /nfs/dbraw/zinc/63/46/13/927634613.db2.gz NSFBQDXVNXLQOT-AAEUAGOBSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739518 927638905 /nfs/dbraw/zinc/63/89/05/927638905.db2.gz RADSLRJSUFJABC-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739518 927638918 /nfs/dbraw/zinc/63/89/18/927638918.db2.gz RADSLRJSUFJABC-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001427745859 927642051 /nfs/dbraw/zinc/64/20/51/927642051.db2.gz PDOBPAMLRUAVPW-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001427745859 927642059 /nfs/dbraw/zinc/64/20/59/927642059.db2.gz PDOBPAMLRUAVPW-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001427755135 927646049 /nfs/dbraw/zinc/64/60/49/927646049.db2.gz ONMCCPYBYASDPS-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001427756740 927646168 /nfs/dbraw/zinc/64/61/68/927646168.db2.gz REIGNBNQCSOXON-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001427753884 927646318 /nfs/dbraw/zinc/64/63/18/927646318.db2.gz IWJRWZNAICTXSO-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001427753889 927646432 /nfs/dbraw/zinc/64/64/32/927646432.db2.gz IWJRWZNAICTXSO-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001427759952 927647360 /nfs/dbraw/zinc/64/73/60/927647360.db2.gz LTDZLIMTGBCAGL-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773976 927656379 /nfs/dbraw/zinc/65/63/79/927656379.db2.gz FRCYUMYTBDBVGT-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CCC(F)F)C1 ZINC001427773976 927656385 /nfs/dbraw/zinc/65/63/85/927656385.db2.gz FRCYUMYTBDBVGT-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001427776275 927658871 /nfs/dbraw/zinc/65/88/71/927658871.db2.gz JSNQFJJGSLKGPY-PSASIEDQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnon2)C1 ZINC001427776275 927658882 /nfs/dbraw/zinc/65/88/82/927658882.db2.gz JSNQFJJGSLKGPY-PSASIEDQSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779895 927661054 /nfs/dbraw/zinc/66/10/54/927661054.db2.gz QVYDGHRAYYIADX-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779895 927661067 /nfs/dbraw/zinc/66/10/67/927661067.db2.gz QVYDGHRAYYIADX-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779899 927661361 /nfs/dbraw/zinc/66/13/61/927661361.db2.gz QVYDGHRAYYIADX-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779899 927661367 /nfs/dbraw/zinc/66/13/67/927661367.db2.gz QVYDGHRAYYIADX-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783389 927663575 /nfs/dbraw/zinc/66/35/75/927663575.db2.gz YANZGKOUWBDBCO-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783389 927663586 /nfs/dbraw/zinc/66/35/86/927663586.db2.gz YANZGKOUWBDBCO-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1ccon1 ZINC001427788177 927664693 /nfs/dbraw/zinc/66/46/93/927664693.db2.gz ZMFCTIJOZYQLPM-RYUDHWBXSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1ccon1 ZINC001427788169 927665587 /nfs/dbraw/zinc/66/55/87/927665587.db2.gz ZMFCTIJOZYQLPM-NEPJUHHUSA-N 1 1 310.354 -1.095 20 0 DAADMO CCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001427788379 927665631 /nfs/dbraw/zinc/66/56/31/927665631.db2.gz ZXJFPGMIZXHUPK-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1ccon1 ZINC001427788173 927665664 /nfs/dbraw/zinc/66/56/64/927665664.db2.gz ZMFCTIJOZYQLPM-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1ccon1 ZINC001427788181 927665827 /nfs/dbraw/zinc/66/58/27/927665827.db2.gz ZMFCTIJOZYQLPM-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO CCn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001427788346 927666086 /nfs/dbraw/zinc/66/60/86/927666086.db2.gz ZXJFPGMIZXHUPK-CMPLNLGQSA-N 1 1 324.385 -1.401 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001427789030 927668032 /nfs/dbraw/zinc/66/80/32/927668032.db2.gz SWISSBFGEOYDSG-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001427797354 927670478 /nfs/dbraw/zinc/67/04/78/927670478.db2.gz MQOSNMSPTGSUFP-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001427807406 927674053 /nfs/dbraw/zinc/67/40/53/927674053.db2.gz QRVHUEVGCCTFKX-JTQLQIEISA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001427807408 927675190 /nfs/dbraw/zinc/67/51/90/927675190.db2.gz QRVHUEVGCCTFKX-SNVBAGLBSA-N 1 1 312.374 -1.799 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427810885 927676327 /nfs/dbraw/zinc/67/63/27/927676327.db2.gz PQCCARDPCWSQAM-QWRGUYRKSA-N 1 1 324.385 -1.543 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427810886 927677920 /nfs/dbraw/zinc/67/79/20/927677920.db2.gz PQCCARDPCWSQAM-WDEREUQCSA-N 1 1 324.385 -1.543 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(F)F)C1 ZINC001427815710 927678776 /nfs/dbraw/zinc/67/87/76/927678776.db2.gz GLZJSPPGPPHEIN-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(F)F)C1 ZINC001427815710 927678787 /nfs/dbraw/zinc/67/87/87/927678787.db2.gz GLZJSPPGPPHEIN-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(F)F)C1 ZINC001427815708 927678882 /nfs/dbraw/zinc/67/88/82/927678882.db2.gz GLZJSPPGPPHEIN-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(F)F)C1 ZINC001427815708 927678888 /nfs/dbraw/zinc/67/88/88/927678888.db2.gz GLZJSPPGPPHEIN-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cccn2)C1 ZINC001427820526 927680119 /nfs/dbraw/zinc/68/01/19/927680119.db2.gz DIFJPYQUBLXQDL-NWDGAFQWSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnccn2)C1 ZINC001427821429 927681977 /nfs/dbraw/zinc/68/19/77/927681977.db2.gz DXFLBSDRPLPBGJ-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cn1cncc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427822876 927681993 /nfs/dbraw/zinc/68/19/93/927681993.db2.gz HCMZUVTZIZDQEX-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cn2ncnn2)C1 ZINC001427824451 927682314 /nfs/dbraw/zinc/68/23/14/927682314.db2.gz OJPLQEZYYIDLBR-ZJUUUORDSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2ncnn2)C1 ZINC001427824448 927682529 /nfs/dbraw/zinc/68/25/29/927682529.db2.gz OJPLQEZYYIDLBR-VHSXEESVSA-N 1 1 311.346 -2.782 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427822872 927682691 /nfs/dbraw/zinc/68/26/91/927682691.db2.gz HCMZUVTZIZDQEX-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1nnccc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427835336 927686702 /nfs/dbraw/zinc/68/67/02/927686702.db2.gz ZIODPXYQLNRRMU-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835193 927686786 /nfs/dbraw/zinc/68/67/86/927686786.db2.gz YOGFRPGSMDMIBV-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835193 927686800 /nfs/dbraw/zinc/68/68/00/927686800.db2.gz YOGFRPGSMDMIBV-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427834551 927686878 /nfs/dbraw/zinc/68/68/78/927686878.db2.gz XOUGGEGNYQOPRM-VXGBXAGGSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001427848516 927690131 /nfs/dbraw/zinc/69/01/31/927690131.db2.gz GZBAUBYNZKXISP-SNVBAGLBSA-N 1 1 313.358 -1.075 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1COCCO1 ZINC001427853582 927691121 /nfs/dbraw/zinc/69/11/21/927691121.db2.gz GFKABUDRNIPMAW-NWDGAFQWSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H](C)NC(N)=O ZINC001427859069 927694953 /nfs/dbraw/zinc/69/49/53/927694953.db2.gz KQPZXZVYJAGLEC-VHSXEESVSA-N 1 1 317.390 -2.023 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001427872058 927696909 /nfs/dbraw/zinc/69/69/09/927696909.db2.gz ZRUAHZOIVYYEQO-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(F)(F)C(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001427885755 927698631 /nfs/dbraw/zinc/69/86/31/927698631.db2.gz DTPQDHVMGLFLFS-SNVBAGLBSA-N 1 1 323.340 -1.043 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001427890157 927700098 /nfs/dbraw/zinc/70/00/98/927700098.db2.gz LBJLSIOXDIDRIU-CMPLNLGQSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001427909904 927703693 /nfs/dbraw/zinc/70/36/93/927703693.db2.gz PAFITURJQFKTEQ-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001427928074 927711347 /nfs/dbraw/zinc/71/13/47/927711347.db2.gz RFGNJBQPPXLGDR-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001427925667 927711512 /nfs/dbraw/zinc/71/15/12/927711512.db2.gz SRYIAOPJFYMJQN-ONGXEEELSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001427933229 927714269 /nfs/dbraw/zinc/71/42/69/927714269.db2.gz FGZONWZEFFMSBK-NSHDSACASA-N 1 1 311.386 -1.114 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)Cc2cnc[nH]2)CC1 ZINC001427941932 927715594 /nfs/dbraw/zinc/71/55/94/927715594.db2.gz VWXBDEZWQOGKJG-LBPRGKRZSA-N 1 1 323.397 -1.113 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)CC1 ZINC001427941931 927716347 /nfs/dbraw/zinc/71/63/47/927716347.db2.gz VWXBDEZWQOGKJG-GFCCVEGCSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1ncn(C)n1 ZINC001427965536 927721911 /nfs/dbraw/zinc/72/19/11/927721911.db2.gz LNJZFPRJLFCBRG-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001427965640 927722503 /nfs/dbraw/zinc/72/25/03/927722503.db2.gz IZCSBZQUXDOTRY-KOLCDFICSA-N 1 1 324.385 -1.338 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001427968778 927722796 /nfs/dbraw/zinc/72/27/96/927722796.db2.gz FKZAQUNEUUNJPC-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[NH+](C)CC1(C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001427974018 927724470 /nfs/dbraw/zinc/72/44/70/927724470.db2.gz OZESPXMGVZMUAG-LBPRGKRZSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1nonc1C ZINC001427975957 927725652 /nfs/dbraw/zinc/72/56/52/927725652.db2.gz XNZQJBRKRDPDLZ-JTQLQIEISA-N 1 1 313.358 -1.073 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001428105481 927734862 /nfs/dbraw/zinc/73/48/62/927734862.db2.gz BYMBYVNAXWTPFS-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(F)F ZINC001428139245 927736551 /nfs/dbraw/zinc/73/65/51/927736551.db2.gz IRZLRSMVUATCJU-DTWKUNHWSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(F)F ZINC001428139245 927736559 /nfs/dbraw/zinc/73/65/59/927736559.db2.gz IRZLRSMVUATCJU-DTWKUNHWSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(F)F ZINC001428139250 927736889 /nfs/dbraw/zinc/73/68/89/927736889.db2.gz IRZLRSMVUATCJU-IUCAKERBSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(F)F ZINC001428139250 927736897 /nfs/dbraw/zinc/73/68/97/927736897.db2.gz IRZLRSMVUATCJU-IUCAKERBSA-N 1 1 309.313 -1.482 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428160262 927743506 /nfs/dbraw/zinc/74/35/06/927743506.db2.gz RKWFNMMNBCXGAU-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1nccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428194013 927751123 /nfs/dbraw/zinc/75/11/23/927751123.db2.gz BWXVJRQIVMYAFN-NEPJUHHUSA-N 1 1 324.385 -1.835 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cncnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428204575 927754539 /nfs/dbraw/zinc/75/45/39/927754539.db2.gz PPBNYFMGCRABBI-YPMHNXCESA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ccnc1 ZINC001428226601 927758281 /nfs/dbraw/zinc/75/82/81/927758281.db2.gz UMPBIBOFMBEMCD-OLZOCXBDSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)c1nc[nH]n1 ZINC001428227989 927762273 /nfs/dbraw/zinc/76/22/73/927762273.db2.gz FPBZVHOXNHJJDR-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccncn1 ZINC001428240770 927763299 /nfs/dbraw/zinc/76/32/99/927763299.db2.gz LCKSLKGWGGBJGO-RYUDHWBXSA-N 1 1 321.381 -1.023 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CCN1C ZINC001428390470 927775421 /nfs/dbraw/zinc/77/54/21/927775421.db2.gz SRLWJLXUVWLDCV-VHSXEESVSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001428390470 927775430 /nfs/dbraw/zinc/77/54/30/927775430.db2.gz SRLWJLXUVWLDCV-VHSXEESVSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1CN(C)CC[N@H+]1C ZINC001428390470 927775441 /nfs/dbraw/zinc/77/54/41/927775441.db2.gz SRLWJLXUVWLDCV-VHSXEESVSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CCN1C ZINC001428390467 927775641 /nfs/dbraw/zinc/77/56/41/927775641.db2.gz SRLWJLXUVWLDCV-UWVGGRQHSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001428390467 927775648 /nfs/dbraw/zinc/77/56/48/927775648.db2.gz SRLWJLXUVWLDCV-UWVGGRQHSA-N 1 1 307.420 -1.792 20 0 DAADMO C[C@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001428390467 927775656 /nfs/dbraw/zinc/77/56/56/927775656.db2.gz SRLWJLXUVWLDCV-UWVGGRQHSA-N 1 1 307.420 -1.792 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001428449242 927780376 /nfs/dbraw/zinc/78/03/76/927780376.db2.gz IVEOHKHSQZZQSI-KZWBYHQPSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1CS(=O)(=O)C1 ZINC001428555571 927785217 /nfs/dbraw/zinc/78/52/17/927785217.db2.gz XAOZYOQFBAGOOO-ONGXEEELSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1CS(=O)(=O)C1 ZINC001428555565 927786031 /nfs/dbraw/zinc/78/60/31/927786031.db2.gz XAOZYOQFBAGOOO-GXSJLCMTSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)CC[NH+]1CCOCC1 ZINC001428605032 927789494 /nfs/dbraw/zinc/78/94/94/927789494.db2.gz OLUOVMUMEHJNCL-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(=O)n(C)n1 ZINC001428628684 927790345 /nfs/dbraw/zinc/79/03/45/927790345.db2.gz CBLBXVPHYIMXHJ-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645321 927792545 /nfs/dbraw/zinc/79/25/45/927792545.db2.gz JKEKIYSZVXUNDA-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)C1 ZINC001428645321 927792557 /nfs/dbraw/zinc/79/25/57/927792557.db2.gz JKEKIYSZVXUNDA-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)NC(=O)CNC(N)=O ZINC001428740098 927797153 /nfs/dbraw/zinc/79/71/53/927797153.db2.gz JFBJKRORCVXFKS-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001428697702 927797469 /nfs/dbraw/zinc/79/74/69/927797469.db2.gz XHHRYCYPXPCSFQ-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)c1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428697548 927797859 /nfs/dbraw/zinc/79/78/59/927797859.db2.gz SJIAPEFEGOJYHH-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428697548 927797863 /nfs/dbraw/zinc/79/78/63/927797863.db2.gz SJIAPEFEGOJYHH-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001428804665 927809782 /nfs/dbraw/zinc/80/97/82/927809782.db2.gz BXGAPPKLXNGODU-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001428814674 927812066 /nfs/dbraw/zinc/81/20/66/927812066.db2.gz NPZZTZGNTSIGPH-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001428876132 927818845 /nfs/dbraw/zinc/81/88/45/927818845.db2.gz AEZTYMIOCHFHHR-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001428917526 927825108 /nfs/dbraw/zinc/82/51/08/927825108.db2.gz OOEKWJUAKZOUFO-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC001428929198 927827722 /nfs/dbraw/zinc/82/77/22/927827722.db2.gz IARAMYJTUIULHV-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)NC(=O)CNC(N)=O ZINC001429093045 927839688 /nfs/dbraw/zinc/83/96/88/927839688.db2.gz SYEUSNDYFNBWMH-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCOCC1 ZINC001429259319 927850137 /nfs/dbraw/zinc/85/01/37/927850137.db2.gz FJVONEQEWROVFL-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001429260225 927850335 /nfs/dbraw/zinc/85/03/35/927850335.db2.gz ZWMLMJNBAMILSX-GHMZBOCLSA-N 1 1 319.427 -1.054 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)c(=O)n1C ZINC001429266152 927852603 /nfs/dbraw/zinc/85/26/03/927852603.db2.gz WWLCREZBPPDAPT-LLVKDONJSA-N 1 1 323.397 -1.136 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001429310643 927860232 /nfs/dbraw/zinc/86/02/32/927860232.db2.gz XOTRTRSMQDVSDF-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001429310643 927860238 /nfs/dbraw/zinc/86/02/38/927860238.db2.gz XOTRTRSMQDVSDF-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001429305787 927860441 /nfs/dbraw/zinc/86/04/41/927860441.db2.gz AONJRUCIMQJBJH-UHFFFAOYSA-N 1 1 319.427 -1.054 20 0 DAADMO CN(CCNC(=O)c1cn(C)c(=O)n1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429326635 927861614 /nfs/dbraw/zinc/86/16/14/927861614.db2.gz ZPXQBJVXDTWJIH-NSHDSACASA-N 1 1 323.397 -1.136 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001429411020 927869603 /nfs/dbraw/zinc/86/96/03/927869603.db2.gz VDJBKZPNPLJOPA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCNC(=O)c1cnon1)C(=O)CC[NH+]1CCOCC1 ZINC001429447577 927871633 /nfs/dbraw/zinc/87/16/33/927871633.db2.gz QFIWDYXZRXYDMU-UHFFFAOYSA-N 1 1 311.342 -1.020 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001429459861 927874568 /nfs/dbraw/zinc/87/45/68/927874568.db2.gz WBHQIEVPEZBBNB-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001429481159 927875760 /nfs/dbraw/zinc/87/57/60/927875760.db2.gz DZPQFWNVZWTCQP-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@@H](OC)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001429472349 927875805 /nfs/dbraw/zinc/87/58/05/927875805.db2.gz AWPUTEKDCSRMNO-VXGBXAGGSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001429472349 927875815 /nfs/dbraw/zinc/87/58/15/927875815.db2.gz AWPUTEKDCSRMNO-VXGBXAGGSA-N 1 1 317.386 -1.447 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001429481161 927876485 /nfs/dbraw/zinc/87/64/85/927876485.db2.gz DZPQFWNVZWTCQP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001429494483 927876808 /nfs/dbraw/zinc/87/68/08/927876808.db2.gz BTFRMRIYTSXSIR-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001429806710 927896694 /nfs/dbraw/zinc/89/66/94/927896694.db2.gz JASQLPRMIORRNH-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001429873418 927902449 /nfs/dbraw/zinc/90/24/49/927902449.db2.gz IOPBGQKDFDTQKA-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001430171550 927919962 /nfs/dbraw/zinc/91/99/62/927919962.db2.gz SOGMGEFUZOMWRA-JTQLQIEISA-N 1 1 314.342 -2.000 20 0 DAADMO COC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001430171550 927919968 /nfs/dbraw/zinc/91/99/68/927919968.db2.gz SOGMGEFUZOMWRA-JTQLQIEISA-N 1 1 314.342 -2.000 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001430187674 927921020 /nfs/dbraw/zinc/92/10/20/927921020.db2.gz ZACLQDWTKKZUJZ-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001430264192 927931498 /nfs/dbraw/zinc/93/14/98/927931498.db2.gz SGGSFFUTNSGGFH-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001430264192 927931504 /nfs/dbraw/zinc/93/15/04/927931504.db2.gz SGGSFFUTNSGGFH-ONGXEEELSA-N 1 1 312.370 -1.845 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001430318800 927937584 /nfs/dbraw/zinc/93/75/84/927937584.db2.gz FKESDGVLNYXUAW-NMKXLXIOSA-N 1 1 308.382 -1.353 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001430355610 927942766 /nfs/dbraw/zinc/94/27/66/927942766.db2.gz JNPXTQRMZGLELH-JTQLQIEISA-N 1 1 313.402 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CCNC(N)=O)C1 ZINC001430373834 927944586 /nfs/dbraw/zinc/94/45/86/927944586.db2.gz WMJQFSSXRGDAKD-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CNC(=O)NC)C1 ZINC001430380776 927946137 /nfs/dbraw/zinc/94/61/37/927946137.db2.gz VBRZHEOPGNQCSI-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC001430389352 927946858 /nfs/dbraw/zinc/94/68/58/927946858.db2.gz NNJFQQWQPCYXEA-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430435895 927950368 /nfs/dbraw/zinc/95/03/68/927950368.db2.gz JQSPNINMWDLSQE-GHMZBOCLSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430435895 927950376 /nfs/dbraw/zinc/95/03/76/927950376.db2.gz JQSPNINMWDLSQE-GHMZBOCLSA-N 1 1 313.354 -1.174 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)Cn2cncn2)C1 ZINC001430449735 927953096 /nfs/dbraw/zinc/95/30/96/927953096.db2.gz FOBKUQCBEINDHD-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478195 927954757 /nfs/dbraw/zinc/95/47/57/927954757.db2.gz AGLZJNFBADUXML-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478195 927954767 /nfs/dbraw/zinc/95/47/67/927954767.db2.gz AGLZJNFBADUXML-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430478355 927956354 /nfs/dbraw/zinc/95/63/54/927956354.db2.gz AVPDGWFESOZPMA-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430478355 927956361 /nfs/dbraw/zinc/95/63/61/927956361.db2.gz AVPDGWFESOZPMA-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430478358 927956377 /nfs/dbraw/zinc/95/63/77/927956377.db2.gz AVPDGWFESOZPMA-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430478358 927956383 /nfs/dbraw/zinc/95/63/83/927956383.db2.gz AVPDGWFESOZPMA-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CNC(=O)N1 ZINC001430462902 927956550 /nfs/dbraw/zinc/95/65/50/927956550.db2.gz JQMKVZHBJZTEGU-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430537724 927962378 /nfs/dbraw/zinc/96/23/78/927962378.db2.gz LLZOLGSBDHWIMP-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001430555742 927964000 /nfs/dbraw/zinc/96/40/00/927964000.db2.gz NOBDGTTXQCMEBY-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001430556072 927965438 /nfs/dbraw/zinc/96/54/38/927965438.db2.gz OLCOEHNWVBPGQR-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001430555736 927965521 /nfs/dbraw/zinc/96/55/21/927965521.db2.gz NOBDGTTXQCMEBY-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1cnnn1 ZINC001430789778 927980221 /nfs/dbraw/zinc/98/02/21/927980221.db2.gz XQZZHKIRTVYSMT-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1cnnn1 ZINC001430789786 927980759 /nfs/dbraw/zinc/98/07/59/927980759.db2.gz XQZZHKIRTVYSMT-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001430858278 927982502 /nfs/dbraw/zinc/98/25/02/927982502.db2.gz IOIBUBXKRLDGEX-WDEREUQCSA-N 1 1 311.386 -1.429 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001430858269 927982690 /nfs/dbraw/zinc/98/26/90/927982690.db2.gz IOIBUBXKRLDGEX-MNOVXSKESA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001430981188 927988259 /nfs/dbraw/zinc/98/82/59/927988259.db2.gz CXVMZNYRDLEUSN-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431000094 927990370 /nfs/dbraw/zinc/99/03/70/927990370.db2.gz FEHQQGPDNICZQH-PWSUYJOCSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431000094 927990385 /nfs/dbraw/zinc/99/03/85/927990385.db2.gz FEHQQGPDNICZQH-PWSUYJOCSA-N 1 1 324.385 -1.372 20 0 DAADMO CN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431136728 927998528 /nfs/dbraw/zinc/99/85/28/927998528.db2.gz HDDVZRAAJYBZMY-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1COCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431136728 927998535 /nfs/dbraw/zinc/99/85/35/927998535.db2.gz HDDVZRAAJYBZMY-NWDGAFQWSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)Cn1cccn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431145391 927999281 /nfs/dbraw/zinc/99/92/81/927999281.db2.gz TWHBRSOQJHSUOT-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)Cn1cccn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431145391 927999290 /nfs/dbraw/zinc/99/92/90/927999290.db2.gz TWHBRSOQJHSUOT-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2nc[nH]n2)C1 ZINC001431280188 928010185 /nfs/dbraw/zinc/01/01/85/928010185.db2.gz YMEZLGPDEPTRHF-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN(C)C(=O)c2nc[nH]n2)C1 ZINC001431280188 928010195 /nfs/dbraw/zinc/01/01/95/928010195.db2.gz YMEZLGPDEPTRHF-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431362704 928013587 /nfs/dbraw/zinc/01/35/87/928013587.db2.gz ZCKYUZJMQZMVSL-WDEREUQCSA-N 1 1 313.402 -1.088 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431431075 928019493 /nfs/dbraw/zinc/01/94/93/928019493.db2.gz GNMOWKKBZFMRSE-SECBINFHSA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431431075 928019505 /nfs/dbraw/zinc/01/95/05/928019505.db2.gz GNMOWKKBZFMRSE-SECBINFHSA-N 1 1 311.346 -2.271 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431417270 928019663 /nfs/dbraw/zinc/01/96/63/928019663.db2.gz ZXSICYPKSQBOQC-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431417270 928019677 /nfs/dbraw/zinc/01/96/77/928019677.db2.gz ZXSICYPKSQBOQC-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431417268 928020142 /nfs/dbraw/zinc/02/01/42/928020142.db2.gz ZXSICYPKSQBOQC-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431417268 928020153 /nfs/dbraw/zinc/02/01/53/928020153.db2.gz ZXSICYPKSQBOQC-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001431464841 928025403 /nfs/dbraw/zinc/02/54/03/928025403.db2.gz ZMLKAXVNSOFTQZ-CMPLNLGQSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001431464844 928025964 /nfs/dbraw/zinc/02/59/64/928025964.db2.gz ZMLKAXVNSOFTQZ-PWSUYJOCSA-N 1 1 314.386 -1.942 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001431478194 928030931 /nfs/dbraw/zinc/03/09/31/928030931.db2.gz CCFZYOBOMKARRO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001431489228 928035088 /nfs/dbraw/zinc/03/50/88/928035088.db2.gz CPHQEIMWRZWZDL-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001431494093 928036592 /nfs/dbraw/zinc/03/65/92/928036592.db2.gz CTUFXRZKQSJVPJ-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431503517 928041561 /nfs/dbraw/zinc/04/15/61/928041561.db2.gz FRZGFWMHLYRDGG-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431503517 928041578 /nfs/dbraw/zinc/04/15/78/928041578.db2.gz FRZGFWMHLYRDGG-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431503526 928042144 /nfs/dbraw/zinc/04/21/44/928042144.db2.gz FRZGFWMHLYRDGG-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431503526 928042153 /nfs/dbraw/zinc/04/21/53/928042153.db2.gz FRZGFWMHLYRDGG-WCQYABFASA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001431505346 928044665 /nfs/dbraw/zinc/04/46/65/928044665.db2.gz RVTMNVRJFSGKTD-MNOVXSKESA-N 1 1 301.387 -1.165 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001431513875 928045663 /nfs/dbraw/zinc/04/56/63/928045663.db2.gz PBTRFZLYLGDVQT-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001431531528 928052025 /nfs/dbraw/zinc/05/20/25/928052025.db2.gz RGEHKHKRIGHXKH-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431534832 928053136 /nfs/dbraw/zinc/05/31/36/928053136.db2.gz BBSKMLFURWSEBT-CYBMUJFWSA-N 1 1 324.425 -1.229 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001431531334 928053442 /nfs/dbraw/zinc/05/34/42/928053442.db2.gz NLQMYRDIVVLVOM-NSHDSACASA-N 1 1 312.370 -1.054 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001431534278 928053485 /nfs/dbraw/zinc/05/34/85/928053485.db2.gz CQDGGJONTQAJPM-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534278 928053498 /nfs/dbraw/zinc/05/34/98/928053498.db2.gz CQDGGJONTQAJPM-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534278 928053511 /nfs/dbraw/zinc/05/35/11/928053511.db2.gz CQDGGJONTQAJPM-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534278 928053525 /nfs/dbraw/zinc/05/35/25/928053525.db2.gz CQDGGJONTQAJPM-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534278 928053537 /nfs/dbraw/zinc/05/35/37/928053537.db2.gz CQDGGJONTQAJPM-WDEREUQCSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001431546318 928057729 /nfs/dbraw/zinc/05/77/29/928057729.db2.gz AATJFIJLPCYKPK-VXGBXAGGSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431545415 928058104 /nfs/dbraw/zinc/05/81/04/928058104.db2.gz CTQMHRXUHMNQPN-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001431556021 928063665 /nfs/dbraw/zinc/06/36/65/928063665.db2.gz CQPVRRVMEQTQJK-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1nonc1C ZINC001431566060 928066198 /nfs/dbraw/zinc/06/61/98/928066198.db2.gz FHPLRKUAMZJREK-JTQLQIEISA-N 1 1 313.358 -1.073 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ccncn1 ZINC001431570813 928067022 /nfs/dbraw/zinc/06/70/22/928067022.db2.gz QERGRHYWJIJZAF-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001431577930 928069541 /nfs/dbraw/zinc/06/95/41/928069541.db2.gz ZPGXWGKJXRQDBI-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431691427 928078347 /nfs/dbraw/zinc/07/83/47/928078347.db2.gz AEQCBXRSIPENHY-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431691435 928078800 /nfs/dbraw/zinc/07/88/00/928078800.db2.gz AEQCBXRSIPENHY-MNOVXSKESA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](CNC(=O)CCS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431820634 928087409 /nfs/dbraw/zinc/08/74/09/928087409.db2.gz YOOBLMCDBKFFAI-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001431877395 928091687 /nfs/dbraw/zinc/09/16/87/928091687.db2.gz WXBXMLOKMLHAAH-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)NC(N)=O ZINC001432024032 928097940 /nfs/dbraw/zinc/09/79/40/928097940.db2.gz NDNDQLLEYUNYDV-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC001432042923 928101115 /nfs/dbraw/zinc/10/11/15/928101115.db2.gz JOYQOXOZIUJMPO-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC001432050407 928103271 /nfs/dbraw/zinc/10/32/71/928103271.db2.gz XMCOHVZPEQQRLI-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC001432057803 928103585 /nfs/dbraw/zinc/10/35/85/928103585.db2.gz GHUGPSUZXVEQJQ-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CNC(=O)NC ZINC001432131255 928107125 /nfs/dbraw/zinc/10/71/25/928107125.db2.gz XBDIGUMMMYPVKL-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001432178038 928111056 /nfs/dbraw/zinc/11/10/56/928111056.db2.gz XQBRZEPNWFEIQL-HNNXBMFYSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)NCC(=O)NCC1(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001432198612 928113705 /nfs/dbraw/zinc/11/37/05/928113705.db2.gz ACYFMZRECSYHTA-SNVBAGLBSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001432223932 928116913 /nfs/dbraw/zinc/11/69/13/928116913.db2.gz QCHNDKGMUCCTNV-SECBINFHSA-N 1 1 309.370 -1.534 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC001432255693 928123511 /nfs/dbraw/zinc/12/35/11/928123511.db2.gz FRVKNZBSCIXMPV-UHFFFAOYSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001432260366 928123646 /nfs/dbraw/zinc/12/36/46/928123646.db2.gz XZVRVRHMWOAJIQ-MRVPVSSYSA-N 1 1 308.342 -1.416 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cn2cncn2)C1 ZINC001432287077 928125545 /nfs/dbraw/zinc/12/55/45/928125545.db2.gz UZTHIIQNEWZDOG-UHFFFAOYSA-N 1 1 322.369 -1.673 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001432287054 928126187 /nfs/dbraw/zinc/12/61/87/928126187.db2.gz UPVNTLBHNDOXAK-UHFFFAOYSA-N 1 1 322.369 -1.522 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001432337139 928135288 /nfs/dbraw/zinc/13/52/88/928135288.db2.gz ASVLCKQRPOLMQJ-SNVBAGLBSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001432406070 928143901 /nfs/dbraw/zinc/14/39/01/928143901.db2.gz VDKHTMKFCGQVRI-MWLCHTKSSA-N 1 1 311.386 -1.336 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001432408315 928144018 /nfs/dbraw/zinc/14/40/18/928144018.db2.gz XPPRXLGDBITTOH-UHFFFAOYSA-N 1 1 313.402 -1.075 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001432456255 928148652 /nfs/dbraw/zinc/14/86/52/928148652.db2.gz PACMLQRWIUGAMT-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001432484472 928153999 /nfs/dbraw/zinc/15/39/99/928153999.db2.gz XIJIKQLDRHDZTI-LLVKDONJSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001432545844 928155360 /nfs/dbraw/zinc/15/53/60/928155360.db2.gz IJDILMMKTQPGNE-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001432639672 928159651 /nfs/dbraw/zinc/15/96/51/928159651.db2.gz PEVQZELCRGAQBM-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783710 928166122 /nfs/dbraw/zinc/16/61/22/928166122.db2.gz BFDKFGLCHFACFC-RNCFNFMXSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783710 928166132 /nfs/dbraw/zinc/16/61/32/928166132.db2.gz BFDKFGLCHFACFC-RNCFNFMXSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783720 928166863 /nfs/dbraw/zinc/16/68/63/928166863.db2.gz BFDKFGLCHFACFC-ZANVPECISA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783720 928166872 /nfs/dbraw/zinc/16/68/72/928166872.db2.gz BFDKFGLCHFACFC-ZANVPECISA-N 1 1 321.324 -1.338 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001432928825 928170422 /nfs/dbraw/zinc/17/04/22/928170422.db2.gz KUBRBLLUDUOCFJ-ZYHUDNBSSA-N 1 1 314.386 -1.678 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001432928825 928170426 /nfs/dbraw/zinc/17/04/26/928170426.db2.gz KUBRBLLUDUOCFJ-ZYHUDNBSSA-N 1 1 314.386 -1.678 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCOC)C1 ZINC001433215057 928182804 /nfs/dbraw/zinc/18/28/04/928182804.db2.gz VMGFCAQIDMFPTK-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCOC)C1 ZINC001433215057 928182810 /nfs/dbraw/zinc/18/28/10/928182810.db2.gz VMGFCAQIDMFPTK-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)NC[C@@H](O)CNC(=O)C1CC1 ZINC001433212716 928183498 /nfs/dbraw/zinc/18/34/98/928183498.db2.gz OYLLPOOZSZMHAA-QWHCGFSZSA-N 1 1 323.397 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230647 928184901 /nfs/dbraw/zinc/18/49/01/928184901.db2.gz CCPAXGYLVCJNET-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230647 928184911 /nfs/dbraw/zinc/18/49/11/928184911.db2.gz CCPAXGYLVCJNET-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001433244303 928193329 /nfs/dbraw/zinc/19/33/29/928193329.db2.gz RMYMLUZEZMNWMS-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cncn1 ZINC001433245489 928194599 /nfs/dbraw/zinc/19/45/99/928194599.db2.gz YXVSLPXBELXAAT-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccon2)C1 ZINC001433255412 928196830 /nfs/dbraw/zinc/19/68/30/928196830.db2.gz NMQBGXJBRSIXBO-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccon2)C1 ZINC001433255412 928196838 /nfs/dbraw/zinc/19/68/38/928196838.db2.gz NMQBGXJBRSIXBO-GXSJLCMTSA-N 1 1 312.326 -1.788 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001433257250 928198513 /nfs/dbraw/zinc/19/85/13/928198513.db2.gz OWLFPVSUZPTLOY-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001433257244 928198540 /nfs/dbraw/zinc/19/85/40/928198540.db2.gz OWLFPVSUZPTLOY-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nnc[nH]2)C1 ZINC001433262024 928201938 /nfs/dbraw/zinc/20/19/38/928201938.db2.gz XWPOFFSKSOLDMN-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262024 928201950 /nfs/dbraw/zinc/20/19/50/928201950.db2.gz XWPOFFSKSOLDMN-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262024 928201962 /nfs/dbraw/zinc/20/19/62/928201962.db2.gz XWPOFFSKSOLDMN-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001433271434 928203640 /nfs/dbraw/zinc/20/36/40/928203640.db2.gz PCSFSFURNJJJEQ-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cnnn1C ZINC001433275397 928204058 /nfs/dbraw/zinc/20/40/58/928204058.db2.gz DPYJHWHLRQJNAH-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001433289531 928209077 /nfs/dbraw/zinc/20/90/77/928209077.db2.gz IWVOMNPJOYQIFQ-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001433291234 928209102 /nfs/dbraw/zinc/20/91/02/928209102.db2.gz NXTJKCZVXHYJOB-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001433291234 928209111 /nfs/dbraw/zinc/20/91/11/928209111.db2.gz NXTJKCZVXHYJOB-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ccncn1 ZINC001433291902 928210267 /nfs/dbraw/zinc/21/02/67/928210267.db2.gz CEGVEJPWBBUPPU-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001433288729 928210491 /nfs/dbraw/zinc/21/04/91/928210491.db2.gz SITKTQPFVXKTJS-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ccncn1 ZINC001433291900 928210584 /nfs/dbraw/zinc/21/05/84/928210584.db2.gz CEGVEJPWBBUPPU-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001433328889 928218700 /nfs/dbraw/zinc/21/87/00/928218700.db2.gz WOULTVYYEGVMIC-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433377972 928222955 /nfs/dbraw/zinc/22/29/55/928222955.db2.gz QSYCTXVZVJVJEP-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433377972 928222966 /nfs/dbraw/zinc/22/29/66/928222966.db2.gz QSYCTXVZVJVJEP-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433408131 928223009 /nfs/dbraw/zinc/22/30/09/928223009.db2.gz QCTRFWDEGMMWNK-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433408131 928223018 /nfs/dbraw/zinc/22/30/18/928223018.db2.gz QCTRFWDEGMMWNK-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@H](c1nnnn1C)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001433424180 928225578 /nfs/dbraw/zinc/22/55/78/928225578.db2.gz UIGVJMHGJILESQ-NEPJUHHUSA-N 1 1 323.401 -1.254 20 0 DAADMO C[C@H](c1nnnn1C)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001433424180 928225588 /nfs/dbraw/zinc/22/55/88/928225588.db2.gz UIGVJMHGJILESQ-NEPJUHHUSA-N 1 1 323.401 -1.254 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001433487509 928228853 /nfs/dbraw/zinc/22/88/53/928228853.db2.gz QNZYHWBQINEKMS-SCZZXKLOSA-N 1 1 308.342 -1.506 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001433566188 928241437 /nfs/dbraw/zinc/24/14/37/928241437.db2.gz AOHCQHAXEHCLIB-LLVKDONJSA-N 1 1 322.369 -1.254 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)C1 ZINC001433687553 928254361 /nfs/dbraw/zinc/25/43/61/928254361.db2.gz SCKXXTSGYSYSRS-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001433735376 928259895 /nfs/dbraw/zinc/25/98/95/928259895.db2.gz WZPXUQXTKCMARZ-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CCN1C(=O)[C@H](C)NC(N)=O ZINC001433765523 928262852 /nfs/dbraw/zinc/26/28/52/928262852.db2.gz IMQFITXGTRDJKO-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001433803190 928265674 /nfs/dbraw/zinc/26/56/74/928265674.db2.gz DXOCRZHRNUGRGB-OUAUKWLOSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001433902868 928277858 /nfs/dbraw/zinc/27/78/58/928277858.db2.gz KSAKXSQBVIQZGF-MXWKQRLJSA-N 1 1 323.397 -1.227 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001433961611 928287773 /nfs/dbraw/zinc/28/77/73/928287773.db2.gz AAHQNTRDXOOMSB-MJBXVCDLSA-N 1 1 324.381 -1.483 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001434028022 928294786 /nfs/dbraw/zinc/29/47/86/928294786.db2.gz FHZRYJFMFSDVCX-UHFFFAOYSA-N 1 1 310.354 -1.281 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001434231947 928318259 /nfs/dbraw/zinc/31/82/59/928318259.db2.gz VUXDIINCZHWDLT-GHMZBOCLSA-N 1 1 311.386 -2.475 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC001434228099 928318798 /nfs/dbraw/zinc/31/87/98/928318798.db2.gz NOMOOKDSNHZDRU-LBPRGKRZSA-N 1 1 300.359 -1.768 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001434231950 928319312 /nfs/dbraw/zinc/31/93/12/928319312.db2.gz VUXDIINCZHWDLT-PHIMTYICSA-N 1 1 311.386 -2.475 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001434248874 928322769 /nfs/dbraw/zinc/32/27/69/928322769.db2.gz RENGFSQBTMZOIN-QSDJMHMYSA-N 1 1 315.370 -1.376 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001434248874 928322782 /nfs/dbraw/zinc/32/27/82/928322782.db2.gz RENGFSQBTMZOIN-QSDJMHMYSA-N 1 1 315.370 -1.376 20 0 DAADMO CS(=O)(=O)c1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)co1 ZINC001434287623 928324603 /nfs/dbraw/zinc/32/46/03/928324603.db2.gz KZPHAWWNORZFHL-LBPRGKRZSA-N 1 1 318.351 -1.236 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@]3(CO)COCC[NH2+]3)cc2c(=O)[nH]1 ZINC001434286479 928325627 /nfs/dbraw/zinc/32/56/27/928325627.db2.gz CSOVAHDLELDCQF-AWEZNQCLSA-N 1 1 321.337 -1.588 20 0 DAADMO COC(=O)c1ccc(CC(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC001434289518 928326310 /nfs/dbraw/zinc/32/63/10/928326310.db2.gz ZXIBMDJFFZRGPT-HNNXBMFYSA-N 1 1 323.349 -1.122 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001434310674 928328199 /nfs/dbraw/zinc/32/81/99/928328199.db2.gz PWMBLVNCUBCXJM-BHDSKKPTSA-N 1 1 316.354 -1.138 20 0 DAADMO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001434310674 928328212 /nfs/dbraw/zinc/32/82/12/928328212.db2.gz PWMBLVNCUBCXJM-BHDSKKPTSA-N 1 1 316.354 -1.138 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434344537 928335882 /nfs/dbraw/zinc/33/58/82/928335882.db2.gz GNKOVNVNVZKDHN-SNVBAGLBSA-N 1 1 322.431 -1.357 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001434362291 928340437 /nfs/dbraw/zinc/34/04/37/928340437.db2.gz LJJYVEJTNIERER-SECBINFHSA-N 1 1 318.341 -1.363 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001434411361 928349117 /nfs/dbraw/zinc/34/91/17/928349117.db2.gz SXQMALZYKYUEEM-VWYCJHECSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001434411356 928350434 /nfs/dbraw/zinc/35/04/34/928350434.db2.gz SXQMALZYKYUEEM-MXWKQRLJSA-N 1 1 300.359 -1.927 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC(S(N)(=O)=O)CC2)CC1 ZINC001434428665 928351059 /nfs/dbraw/zinc/35/10/59/928351059.db2.gz TVGGYVHUVYLXGA-UHFFFAOYSA-N 1 1 304.416 -1.487 20 0 DAADMO COC(=O)c1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC001434425412 928351697 /nfs/dbraw/zinc/35/16/97/928351697.db2.gz SPLFGJNEFLCHTK-UHFFFAOYSA-N 1 1 323.353 -1.290 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+](CCO)CCCO)CC1 ZINC001434458568 928353885 /nfs/dbraw/zinc/35/38/85/928353885.db2.gz QSHQYGUISSDECB-UHFFFAOYSA-N 1 1 301.387 -1.210 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+](CCO)CCCO)CC1 ZINC001434458568 928353898 /nfs/dbraw/zinc/35/38/98/928353898.db2.gz QSHQYGUISSDECB-UHFFFAOYSA-N 1 1 301.387 -1.210 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cn1 ZINC001434481649 928356875 /nfs/dbraw/zinc/35/68/75/928356875.db2.gz YGKWNIRQNSCXPG-CMPLNLGQSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](O)C[C@]2(C)CO)cn1 ZINC001434481649 928356889 /nfs/dbraw/zinc/35/68/89/928356889.db2.gz YGKWNIRQNSCXPG-CMPLNLGQSA-N 1 1 318.399 -1.484 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@@H](O)C[C@]1(O)CCOC1)C2 ZINC001434493683 928359079 /nfs/dbraw/zinc/35/90/79/928359079.db2.gz ZGFYGRGTVCFMIP-RRFJBIMHSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)C2 ZINC001434493683 928359091 /nfs/dbraw/zinc/35/90/91/928359091.db2.gz ZGFYGRGTVCFMIP-RRFJBIMHSA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C2 ZINC001434493682 928359934 /nfs/dbraw/zinc/35/99/34/928359934.db2.gz ZGFYGRGTVCFMIP-RBSFLKMASA-N 1 1 316.398 -1.732 20 0 DAADMO OC[C@]12COCCN1CC[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C2 ZINC001434493682 928359945 /nfs/dbraw/zinc/35/99/45/928359945.db2.gz ZGFYGRGTVCFMIP-RBSFLKMASA-N 1 1 316.398 -1.732 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC001434483459 928359977 /nfs/dbraw/zinc/35/99/77/928359977.db2.gz ABOOZGKFWTWCTI-VIFPVBQESA-N 1 1 306.388 -1.167 20 0 DAADMO CS(=O)(=O)NC[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC001434483457 928360571 /nfs/dbraw/zinc/36/05/71/928360571.db2.gz ABOOZGKFWTWCTI-SECBINFHSA-N 1 1 306.388 -1.167 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001434574747 928367732 /nfs/dbraw/zinc/36/77/32/928367732.db2.gz XJZJBJMZGQKPHH-GHMZBOCLSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cc(C(N)=O)no1 ZINC001434787428 928381423 /nfs/dbraw/zinc/38/14/23/928381423.db2.gz HZWUYUGMJHMYDN-SECBINFHSA-N 1 1 311.342 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cc(C(N)=O)no1 ZINC001434787428 928381436 /nfs/dbraw/zinc/38/14/36/928381436.db2.gz HZWUYUGMJHMYDN-SECBINFHSA-N 1 1 311.342 -1.019 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCC(C)(C)CS(N)(=O)=O ZINC001434823750 928385313 /nfs/dbraw/zinc/38/53/13/928385313.db2.gz CXXQHUFKMQXQBT-UHFFFAOYSA-N 1 1 324.447 -1.086 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NCc2nc(N)n[nH]2)CC[N@@H+](C)C1 ZINC001434826653 928386329 /nfs/dbraw/zinc/38/63/29/928386329.db2.gz MFROLCLCXBZFAS-QMMMGPOBSA-N 1 1 311.346 -1.367 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001434846777 928388434 /nfs/dbraw/zinc/38/84/34/928388434.db2.gz MPBTYWAGRHAQIG-WDEREUQCSA-N 1 1 323.397 -1.192 20 0 DAADMO CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001436326256 928393406 /nfs/dbraw/zinc/39/34/06/928393406.db2.gz LJKLPJQWISXURW-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001436331580 928394204 /nfs/dbraw/zinc/39/42/04/928394204.db2.gz VOWZNTZDATVTCP-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001436384352 928395762 /nfs/dbraw/zinc/39/57/62/928395762.db2.gz FRYOMALSFSXSNO-MGCOHNPYSA-N 1 1 319.373 -1.136 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436392986 928396082 /nfs/dbraw/zinc/39/60/82/928396082.db2.gz GTLLRNORUMFOJV-OPRDCNLKSA-N 1 1 309.374 -1.294 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001436451269 928398827 /nfs/dbraw/zinc/39/88/27/928398827.db2.gz NUYPVZSDADFTKC-GFCCVEGCSA-N 1 1 316.402 -1.417 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001436450725 928398988 /nfs/dbraw/zinc/39/89/88/928398988.db2.gz LDLFJSWUHWKWEH-VXGBXAGGSA-N 1 1 315.370 -1.238 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](N(CCO)CC(N)=O)C2)C1 ZINC001436457105 928399554 /nfs/dbraw/zinc/39/95/54/928399554.db2.gz IULDPIZDKBJUGL-CHWSQXEVSA-N 1 1 312.414 -1.291 20 0 DAADMO Cn1cncc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001436448374 928400397 /nfs/dbraw/zinc/40/03/97/928400397.db2.gz CMNFIQBYQSURJV-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1cncc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001436448374 928400406 /nfs/dbraw/zinc/40/04/06/928400406.db2.gz CMNFIQBYQSURJV-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001436686696 928402029 /nfs/dbraw/zinc/40/20/29/928402029.db2.gz DGFFARAXLMGCRZ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001436686696 928402034 /nfs/dbraw/zinc/40/20/34/928402034.db2.gz DGFFARAXLMGCRZ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001436692557 928402704 /nfs/dbraw/zinc/40/27/04/928402704.db2.gz KPISXUIGDKUHGE-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001436692557 928402712 /nfs/dbraw/zinc/40/27/12/928402712.db2.gz KPISXUIGDKUHGE-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001436673552 928403046 /nfs/dbraw/zinc/40/30/46/928403046.db2.gz NHJVDZGLBBJMLL-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1)n1cncn1 ZINC001436502358 928403173 /nfs/dbraw/zinc/40/31/73/928403173.db2.gz BHQYRXQLXUHPLS-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001436692555 928403806 /nfs/dbraw/zinc/40/38/06/928403806.db2.gz KPISXUIGDKUHGE-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001436692555 928403817 /nfs/dbraw/zinc/40/38/17/928403817.db2.gz KPISXUIGDKUHGE-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001436722530 928408024 /nfs/dbraw/zinc/40/80/24/928408024.db2.gz WIAJFGVEFGODAZ-WCBMZHEXSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001436722530 928408031 /nfs/dbraw/zinc/40/80/31/928408031.db2.gz WIAJFGVEFGODAZ-WCBMZHEXSA-N 1 1 313.358 -1.843 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001436731277 928408052 /nfs/dbraw/zinc/40/80/52/928408052.db2.gz QHBOTSQJYRAFCO-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001436731277 928408056 /nfs/dbraw/zinc/40/80/56/928408056.db2.gz QHBOTSQJYRAFCO-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 ZINC001436710668 928408138 /nfs/dbraw/zinc/40/81/38/928408138.db2.gz BDUUVZFBDXZPTB-LBPRGKRZSA-N 1 1 322.413 -1.201 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)CCc2nc[nH]n2)C1 ZINC001436722981 928408207 /nfs/dbraw/zinc/40/82/07/928408207.db2.gz PHCQYSSZJTZLDF-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001436731439 928408363 /nfs/dbraw/zinc/40/83/63/928408363.db2.gz SBGCOPPXZGSQOJ-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001436731439 928408379 /nfs/dbraw/zinc/40/83/79/928408379.db2.gz SBGCOPPXZGSQOJ-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001436722939 928408708 /nfs/dbraw/zinc/40/87/08/928408708.db2.gz NSCSKAYCOXTLQI-PSASIEDQSA-N 1 1 309.326 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001436722939 928408715 /nfs/dbraw/zinc/40/87/15/928408715.db2.gz NSCSKAYCOXTLQI-PSASIEDQSA-N 1 1 309.326 -1.009 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001436727483 928409630 /nfs/dbraw/zinc/40/96/30/928409630.db2.gz ADOWBZBYVMYHOA-WCBMZHEXSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001436727483 928409635 /nfs/dbraw/zinc/40/96/35/928409635.db2.gz ADOWBZBYVMYHOA-WCBMZHEXSA-N 1 1 313.358 -2.697 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001436778567 928411043 /nfs/dbraw/zinc/41/10/43/928411043.db2.gz HYKCOSUZLZMULW-ZJUUUORDSA-N 1 1 308.342 -1.092 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001436740172 928411388 /nfs/dbraw/zinc/41/13/88/928411388.db2.gz BKDHWOFWQDNQMI-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001436740172 928411394 /nfs/dbraw/zinc/41/13/94/928411394.db2.gz BKDHWOFWQDNQMI-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001436778560 928412355 /nfs/dbraw/zinc/41/23/55/928412355.db2.gz HYKCOSUZLZMULW-NXEZZACHSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001436770043 928412569 /nfs/dbraw/zinc/41/25/69/928412569.db2.gz QRMWCDLPQPCFIL-WDEREUQCSA-N 1 1 310.358 -1.390 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001436806466 928414025 /nfs/dbraw/zinc/41/40/25/928414025.db2.gz IEIZQMWCKVPLOQ-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001436884940 928416875 /nfs/dbraw/zinc/41/68/75/928416875.db2.gz HEDFUJDUJRVPDC-XYPYZODXSA-N 1 1 321.385 -1.001 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001436946002 928419111 /nfs/dbraw/zinc/41/91/11/928419111.db2.gz HPWMEASQEDSRBC-XHNCKOQMSA-N 1 1 322.373 -1.198 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001436977963 928420119 /nfs/dbraw/zinc/42/01/19/928420119.db2.gz IDKSTCHQUDILLK-XHNCKOQMSA-N 1 1 310.362 -1.434 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001436979219 928420306 /nfs/dbraw/zinc/42/03/06/928420306.db2.gz PGFBLWBGYAILEO-OCAPTIKFSA-N 1 1 317.375 -2.504 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001436982906 928421152 /nfs/dbraw/zinc/42/11/52/928421152.db2.gz BULLHXXIIIOTEV-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001436988520 928421181 /nfs/dbraw/zinc/42/11/81/928421181.db2.gz ANMLMGHGIKAWCR-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001436999182 928421605 /nfs/dbraw/zinc/42/16/05/928421605.db2.gz FNQKNUHJUZJRIX-LLVKDONJSA-N 1 1 307.416 -1.124 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437082985 928423049 /nfs/dbraw/zinc/42/30/49/928423049.db2.gz REFKGUUMXNPJHV-LVEVGFFFSA-N 1 1 323.397 -1.432 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001437026640 928423637 /nfs/dbraw/zinc/42/36/37/928423637.db2.gz SJFMHWXZDHONHV-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001437068761 928423740 /nfs/dbraw/zinc/42/37/40/928423740.db2.gz JHWFGFREXSZWRG-SVPLCASGSA-N 1 1 311.382 -1.434 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[C@H]1CCOC1 ZINC001437075443 928423853 /nfs/dbraw/zinc/42/38/53/928423853.db2.gz BDDNDGMTGUMKPR-BJUWDHJGSA-N 1 1 311.382 -1.040 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[C@H]1CCOC1 ZINC001437075443 928423854 /nfs/dbraw/zinc/42/38/54/928423854.db2.gz BDDNDGMTGUMKPR-BJUWDHJGSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)NC(N)=O ZINC001437068241 928424038 /nfs/dbraw/zinc/42/40/38/928424038.db2.gz PDRSTSNRLUVSQJ-GOVZDWNOSA-N 1 1 309.370 -1.632 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCOC ZINC001437035009 928424487 /nfs/dbraw/zinc/42/44/87/928424487.db2.gz RSQSVKNAISSEFC-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001437061566 928425049 /nfs/dbraw/zinc/42/50/49/928425049.db2.gz WPYNXLNMFAUJFB-QUARPLMYSA-N 1 1 310.354 -1.205 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001437061566 928425054 /nfs/dbraw/zinc/42/50/54/928425054.db2.gz WPYNXLNMFAUJFB-QUARPLMYSA-N 1 1 310.354 -1.205 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001437135723 928429566 /nfs/dbraw/zinc/42/95/66/928429566.db2.gz SXVRHDQTBKVELJ-QMMMGPOBSA-N 1 1 303.388 -1.205 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001437157570 928430608 /nfs/dbraw/zinc/43/06/08/928430608.db2.gz RMFGSOXRTCFANG-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001437170090 928432814 /nfs/dbraw/zinc/43/28/14/928432814.db2.gz WFVTXSDELJHRIT-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ncnn1C ZINC001437161312 928432879 /nfs/dbraw/zinc/43/28/79/928432879.db2.gz BEHSJTAXWQXYAL-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001437164281 928432936 /nfs/dbraw/zinc/43/29/36/928432936.db2.gz OWDMLJOMPOZLDQ-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001437170085 928433361 /nfs/dbraw/zinc/43/33/61/928433361.db2.gz WFVTXSDELJHRIT-MRVPVSSYSA-N 1 1 321.341 -1.890 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nocc1C ZINC001437186424 928434633 /nfs/dbraw/zinc/43/46/33/928434633.db2.gz HTEKPVQPRFIDCU-SECBINFHSA-N 1 1 319.387 -1.369 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001437195688 928435331 /nfs/dbraw/zinc/43/53/31/928435331.db2.gz AVQBYGPVONBGOF-SSDOTTSWSA-N 1 1 306.330 -1.078 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nocc1C ZINC001437186431 928435507 /nfs/dbraw/zinc/43/55/07/928435507.db2.gz HTEKPVQPRFIDCU-VIFPVBQESA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001437190637 928435592 /nfs/dbraw/zinc/43/55/92/928435592.db2.gz VRLYSXFFSZIXQL-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2nncn2C)c(=O)n1C ZINC001437242697 928437985 /nfs/dbraw/zinc/43/79/85/928437985.db2.gz FNNORBMVPALAEO-VIFPVBQESA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001437251101 928438965 /nfs/dbraw/zinc/43/89/65/928438965.db2.gz YIOPZIARGRFKDA-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437346150 928445729 /nfs/dbraw/zinc/44/57/29/928445729.db2.gz JNBAWOGFEGYKHH-QMMMGPOBSA-N 1 1 324.345 -2.059 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001437346150 928445731 /nfs/dbraw/zinc/44/57/31/928445731.db2.gz JNBAWOGFEGYKHH-QMMMGPOBSA-N 1 1 324.345 -2.059 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001437336341 928446115 /nfs/dbraw/zinc/44/61/15/928446115.db2.gz LMISWGMYMVGRQY-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001437336341 928446121 /nfs/dbraw/zinc/44/61/21/928446121.db2.gz LMISWGMYMVGRQY-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001437327895 928446744 /nfs/dbraw/zinc/44/67/44/928446744.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001437327895 928446758 /nfs/dbraw/zinc/44/67/58/928446758.db2.gz FCMOSNUXBHGZTI-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001437348454 928447113 /nfs/dbraw/zinc/44/71/13/928447113.db2.gz LBJCTFQCBOZBMZ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001437343978 928447135 /nfs/dbraw/zinc/44/71/35/928447135.db2.gz CSFDXNAJXRYTOL-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)Cn1cnnn1)S(C)(=O)=O ZINC001437428041 928448517 /nfs/dbraw/zinc/44/85/17/928448517.db2.gz DYUHMALPJKKOBR-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)Cn1cnnn1)S(C)(=O)=O ZINC001437428041 928448522 /nfs/dbraw/zinc/44/85/22/928448522.db2.gz DYUHMALPJKKOBR-UHFFFAOYSA-N 1 1 319.391 -2.388 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1ncn(C)n1)S(C)(=O)=O ZINC001437456668 928451165 /nfs/dbraw/zinc/45/11/65/928451165.db2.gz KMPKGFQKXRNFIQ-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1ncn(C)n1)S(C)(=O)=O ZINC001437456668 928451171 /nfs/dbraw/zinc/45/11/71/928451171.db2.gz KMPKGFQKXRNFIQ-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CCCNC(=O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437447818 928451610 /nfs/dbraw/zinc/45/16/10/928451610.db2.gz HXBIYLCZTDRWGG-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCCNC(=O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437447818 928451620 /nfs/dbraw/zinc/45/16/20/928451620.db2.gz HXBIYLCZTDRWGG-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CCNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnn(C)n1 ZINC001437432876 928451877 /nfs/dbraw/zinc/45/18/77/928451877.db2.gz MBAYWJPQUDPCKU-SNVBAGLBSA-N 1 1 321.389 -1.044 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@@H]1CCc2ncnn21 ZINC001437461344 928452266 /nfs/dbraw/zinc/45/22/66/928452266.db2.gz ZTZMHYDRDQDZLK-JTQLQIEISA-N 1 1 305.346 -1.500 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cncnc1 ZINC001437450494 928452684 /nfs/dbraw/zinc/45/26/84/928452684.db2.gz FEEDLSNGYYSHRG-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cncnc1 ZINC001437450494 928452691 /nfs/dbraw/zinc/45/26/91/928452691.db2.gz FEEDLSNGYYSHRG-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1nnnn1C1CC1 ZINC001437454849 928453222 /nfs/dbraw/zinc/45/32/22/928453222.db2.gz ZZYUFRLKHKLKSR-GFCCVEGCSA-N 1 1 323.401 -1.113 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1nnnn1C1CC1 ZINC001437454849 928453229 /nfs/dbraw/zinc/45/32/29/928453229.db2.gz ZZYUFRLKHKLKSR-GFCCVEGCSA-N 1 1 323.401 -1.113 20 0 DAADMO Cn1nccc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437444906 928453255 /nfs/dbraw/zinc/45/32/55/928453255.db2.gz LSCUQZZSQJNJGC-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO Cn1nccc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437444906 928453263 /nfs/dbraw/zinc/45/32/63/928453263.db2.gz LSCUQZZSQJNJGC-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)CC1=O ZINC001437469881 928455710 /nfs/dbraw/zinc/45/57/10/928455710.db2.gz FQTGKWZZUNOHFA-OLZOCXBDSA-N 1 1 323.397 -1.230 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464345 928455906 /nfs/dbraw/zinc/45/59/06/928455906.db2.gz SUOMDXBKAYZFBZ-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464345 928455912 /nfs/dbraw/zinc/45/59/12/928455912.db2.gz SUOMDXBKAYZFBZ-NXEZZACHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464495 928455949 /nfs/dbraw/zinc/45/59/49/928455949.db2.gz SUOMDXBKAYZFBZ-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464495 928455958 /nfs/dbraw/zinc/45/59/58/928455958.db2.gz SUOMDXBKAYZFBZ-UWVGGRQHSA-N 1 1 322.369 -1.316 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CCNS(C)(=O)=O ZINC001437484489 928456318 /nfs/dbraw/zinc/45/63/18/928456318.db2.gz PWENKKZYDBHCFW-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CCNS(C)(=O)=O ZINC001437484489 928456325 /nfs/dbraw/zinc/45/63/25/928456325.db2.gz PWENKKZYDBHCFW-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001437490701 928458169 /nfs/dbraw/zinc/45/81/69/928458169.db2.gz SIFDUCOKDXMERK-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001437498511 928458456 /nfs/dbraw/zinc/45/84/56/928458456.db2.gz NYXOVDZHORBOBP-UHFFFAOYSA-N 1 1 318.403 -1.334 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001437498511 928458471 /nfs/dbraw/zinc/45/84/71/928458471.db2.gz NYXOVDZHORBOBP-UHFFFAOYSA-N 1 1 318.403 -1.334 20 0 DAADMO C[N@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CCNS(C)(=O)=O ZINC001437515835 928459603 /nfs/dbraw/zinc/45/96/03/928459603.db2.gz RPIVTNZQQREBPG-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)CCNS(C)(=O)=O ZINC001437515835 928459608 /nfs/dbraw/zinc/45/96/08/928459608.db2.gz RPIVTNZQQREBPG-LBPRGKRZSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437542879 928461303 /nfs/dbraw/zinc/46/13/03/928461303.db2.gz WCMLBMYUDHZEMF-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@@H+](C)[C@H]3CCNC3=O)nn21 ZINC001437548631 928461555 /nfs/dbraw/zinc/46/15/55/928461555.db2.gz BYJIRMCZEHUQSU-JTQLQIEISA-N 1 1 317.353 -1.017 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@H+](C)[C@H]3CCNC3=O)nn21 ZINC001437548631 928461563 /nfs/dbraw/zinc/46/15/63/928461563.db2.gz BYJIRMCZEHUQSU-JTQLQIEISA-N 1 1 317.353 -1.017 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)CC(=O)NC(=O)NC ZINC001437552503 928462090 /nfs/dbraw/zinc/46/20/90/928462090.db2.gz VARREHXLUPTIJL-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437535482 928462668 /nfs/dbraw/zinc/46/26/68/928462668.db2.gz IOLISSPTGRGEKQ-MRVPVSSYSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437535482 928462680 /nfs/dbraw/zinc/46/26/80/928462680.db2.gz IOLISSPTGRGEKQ-MRVPVSSYSA-N 1 1 315.374 -1.468 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001437544211 928462842 /nfs/dbraw/zinc/46/28/42/928462842.db2.gz VYVXIIZLBQKHNY-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001437544211 928462849 /nfs/dbraw/zinc/46/28/49/928462849.db2.gz VYVXIIZLBQKHNY-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464074 /nfs/dbraw/zinc/46/40/74/928464074.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)CC(=O)NC(N)=O ZINC001437589922 928464086 /nfs/dbraw/zinc/46/40/86/928464086.db2.gz NSVWYLPIZBQQHG-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(N)=O ZINC001437603424 928464738 /nfs/dbraw/zinc/46/47/38/928464738.db2.gz UWGKQPXCFKCOGP-UHFFFAOYSA-N 1 1 307.354 -1.354 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccc(C(N)=O)nc1)CC(N)=O ZINC001437603424 928464743 /nfs/dbraw/zinc/46/47/43/928464743.db2.gz UWGKQPXCFKCOGP-UHFFFAOYSA-N 1 1 307.354 -1.354 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnc(C)n1C)CC(=O)NC(N)=O ZINC001437622452 928464768 /nfs/dbraw/zinc/46/47/68/928464768.db2.gz ZEIZOGHCFWQSIF-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnc(C)n1C)CC(=O)NC(N)=O ZINC001437622452 928464772 /nfs/dbraw/zinc/46/47/72/928464772.db2.gz ZEIZOGHCFWQSIF-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)C(=O)NC(N)=O ZINC001437623318 928464812 /nfs/dbraw/zinc/46/48/12/928464812.db2.gz ZRVCFRSUQBZRQT-ZNSHCXBVSA-N 1 1 312.370 -1.100 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)C(=O)NC(N)=O ZINC001437623318 928464814 /nfs/dbraw/zinc/46/48/14/928464814.db2.gz ZRVCFRSUQBZRQT-ZNSHCXBVSA-N 1 1 312.370 -1.100 20 0 DAADMO Cc1nonc1C(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001437568230 928464923 /nfs/dbraw/zinc/46/49/23/928464923.db2.gz GSKXNSZAMMUIQD-UHFFFAOYSA-N 1 1 319.387 -1.069 20 0 DAADMO Cc1nonc1C(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001437568230 928464927 /nfs/dbraw/zinc/46/49/27/928464927.db2.gz GSKXNSZAMMUIQD-UHFFFAOYSA-N 1 1 319.387 -1.069 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586857 928465052 /nfs/dbraw/zinc/46/50/52/928465052.db2.gz CDKXAHVYYVXRQS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)[C@H](C)C(=O)NC(=O)NC ZINC001437573856 928465240 /nfs/dbraw/zinc/46/52/40/928465240.db2.gz JEIBMWXXWFZCLH-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)[C@H](C)C(=O)NC(=O)NC ZINC001437573856 928465243 /nfs/dbraw/zinc/46/52/43/928465243.db2.gz JEIBMWXXWFZCLH-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(=O)NC ZINC001437596947 928465374 /nfs/dbraw/zinc/46/53/74/928465374.db2.gz DWRHPDWZYDJJMI-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(=O)NC ZINC001437596947 928465377 /nfs/dbraw/zinc/46/53/77/928465377.db2.gz DWRHPDWZYDJJMI-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001437619047 928465604 /nfs/dbraw/zinc/46/56/04/928465604.db2.gz NGJAMMYFNMFEDF-GARJFASQSA-N 1 1 314.386 -1.279 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@@H]1CCCCO1 ZINC001437571968 928465697 /nfs/dbraw/zinc/46/56/97/928465697.db2.gz ZHYGJDJBYFOMGY-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)[C@H]1CCN(C)C1=O ZINC001437586858 928465813 /nfs/dbraw/zinc/46/58/13/928465813.db2.gz CDKXAHVYYVXRQS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC001437651442 928467772 /nfs/dbraw/zinc/46/77/72/928467772.db2.gz PUYHQWBPVFMFRS-VIFPVBQESA-N 1 1 312.326 -1.350 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1=COCCO1 ZINC001437651442 928467777 /nfs/dbraw/zinc/46/77/77/928467777.db2.gz PUYHQWBPVFMFRS-VIFPVBQESA-N 1 1 312.326 -1.350 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001437676294 928467821 /nfs/dbraw/zinc/46/78/21/928467821.db2.gz SVJJGGPNSMWPRS-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001437676294 928467828 /nfs/dbraw/zinc/46/78/28/928467828.db2.gz SVJJGGPNSMWPRS-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1CCNC1=O ZINC001437629471 928467933 /nfs/dbraw/zinc/46/79/33/928467933.db2.gz BERPQJSKQMJGGJ-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2CCNC(=O)C2CC2)n1 ZINC001437670804 928468320 /nfs/dbraw/zinc/46/83/20/928468320.db2.gz YJHHFAVXZYOYMM-LLVKDONJSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2CCNC(=O)C2CC2)n1 ZINC001437670804 928468326 /nfs/dbraw/zinc/46/83/26/928468326.db2.gz YJHHFAVXZYOYMM-LLVKDONJSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cncn1 ZINC001437656516 928468437 /nfs/dbraw/zinc/46/84/37/928468437.db2.gz YLNBLXVPKZTSBI-SNVBAGLBSA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cncn1 ZINC001437656516 928468449 /nfs/dbraw/zinc/46/84/49/928468449.db2.gz YLNBLXVPKZTSBI-SNVBAGLBSA-N 1 1 323.357 -1.556 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001437651432 928468853 /nfs/dbraw/zinc/46/88/53/928468853.db2.gz PQGXXQQBLYJNSO-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001437651432 928468859 /nfs/dbraw/zinc/46/88/59/928468859.db2.gz PQGXXQQBLYJNSO-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001437665400 928469031 /nfs/dbraw/zinc/46/90/31/928469031.db2.gz ZERQEQWYRUJBCT-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437675808 928469288 /nfs/dbraw/zinc/46/92/88/928469288.db2.gz IWNHKGZGHXLWRN-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001437648580 928469516 /nfs/dbraw/zinc/46/95/16/928469516.db2.gz FBAIXHNYFGFOEW-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001437648580 928469524 /nfs/dbraw/zinc/46/95/24/928469524.db2.gz FBAIXHNYFGFOEW-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CC(=O)NC ZINC001437652817 928469539 /nfs/dbraw/zinc/46/95/39/928469539.db2.gz UNJMVLUIGJJKCB-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CC(=O)NC ZINC001437652817 928469546 /nfs/dbraw/zinc/46/95/46/928469546.db2.gz UNJMVLUIGJJKCB-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO CC[N@H+](CCNC(=O)c1nonc1C)CCNS(C)(=O)=O ZINC001437644789 928469825 /nfs/dbraw/zinc/46/98/25/928469825.db2.gz WOUQVGSULQPLKA-UHFFFAOYSA-N 1 1 319.387 -1.021 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nonc1C)CCNS(C)(=O)=O ZINC001437644789 928469836 /nfs/dbraw/zinc/46/98/36/928469836.db2.gz WOUQVGSULQPLKA-UHFFFAOYSA-N 1 1 319.387 -1.021 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437688766 928470917 /nfs/dbraw/zinc/47/09/17/928470917.db2.gz PLVXDKUHMJMIMH-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001437689489 928471356 /nfs/dbraw/zinc/47/13/56/928471356.db2.gz NPFJUNRXOHFYKY-VIFPVBQESA-N 1 1 308.342 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001437705944 928471816 /nfs/dbraw/zinc/47/18/16/928471816.db2.gz IFSKSFQGLMMKNX-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001437705944 928471824 /nfs/dbraw/zinc/47/18/24/928471824.db2.gz IFSKSFQGLMMKNX-SECBINFHSA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437677756 928471863 /nfs/dbraw/zinc/47/18/63/928471863.db2.gz KLGDDZFHJDWSMG-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437677756 928471869 /nfs/dbraw/zinc/47/18/69/928471869.db2.gz KLGDDZFHJDWSMG-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437687426 928472401 /nfs/dbraw/zinc/47/24/01/928472401.db2.gz FUWUQWHXGRSFIB-SNVBAGLBSA-N 1 1 313.358 -1.902 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001437680060 928473215 /nfs/dbraw/zinc/47/32/15/928473215.db2.gz KKMHCJVRIIONMJ-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001437680060 928473225 /nfs/dbraw/zinc/47/32/25/928473225.db2.gz KKMHCJVRIIONMJ-RKDXNWHRSA-N 1 1 323.357 -1.407 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001437714450 928474381 /nfs/dbraw/zinc/47/43/81/928474381.db2.gz FNLWRUYMDXMEGJ-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)COCC(F)F)C1 ZINC001437726773 928474518 /nfs/dbraw/zinc/47/45/18/928474518.db2.gz NJDJRWYNIUQCFT-MRVPVSSYSA-N 1 1 322.312 -1.099 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001437732596 928474963 /nfs/dbraw/zinc/47/49/63/928474963.db2.gz VXZUAHRKFJCTIB-LLVKDONJSA-N 1 1 320.353 -1.679 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2)C1 ZINC001437713686 928475649 /nfs/dbraw/zinc/47/56/49/928475649.db2.gz ZHDNVPITZSBKCG-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H](C)C(=O)N(C)C ZINC001437749409 928475679 /nfs/dbraw/zinc/47/56/79/928475679.db2.gz FZGWVGTTXUEBCR-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001437734163 928476098 /nfs/dbraw/zinc/47/60/98/928476098.db2.gz BRPSBGOVYBEFMA-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001437734163 928476106 /nfs/dbraw/zinc/47/61/06/928476106.db2.gz BRPSBGOVYBEFMA-NSHDSACASA-N 1 1 313.402 -1.040 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)CCn3cnnn3)C2)nn1 ZINC001437723815 928476261 /nfs/dbraw/zinc/47/62/61/928476261.db2.gz MFANTZQHOMCFAX-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)CCn3cnnn3)C2)nn1 ZINC001437723815 928476271 /nfs/dbraw/zinc/47/62/71/928476271.db2.gz MFANTZQHOMCFAX-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ccnc1COCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001437718043 928476361 /nfs/dbraw/zinc/47/63/61/928476361.db2.gz TUMMECUOOAIMPW-LLVKDONJSA-N 1 1 309.370 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001437733768 928476524 /nfs/dbraw/zinc/47/65/24/928476524.db2.gz AFGJGUXKTOTYBV-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001437713576 928476585 /nfs/dbraw/zinc/47/65/85/928476585.db2.gz YWKHWQNLMZZASD-CQSZACIVSA-N 1 1 324.425 -1.011 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC3CC3)C2)n1 ZINC001437711650 928476787 /nfs/dbraw/zinc/47/67/87/928476787.db2.gz AJYXLIONJZRFOX-NSHDSACASA-N 1 1 321.385 -1.212 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)n1 ZINC001437711650 928476789 /nfs/dbraw/zinc/47/67/89/928476789.db2.gz AJYXLIONJZRFOX-NSHDSACASA-N 1 1 321.385 -1.212 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1cccc(C(N)=O)n1)C1CC1 ZINC001437811050 928477833 /nfs/dbraw/zinc/47/78/33/928477833.db2.gz CQKQEOJWFYVZGY-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)C1CC1 ZINC001437811050 928477838 /nfs/dbraw/zinc/47/78/38/928477838.db2.gz CQKQEOJWFYVZGY-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001437804546 928477969 /nfs/dbraw/zinc/47/79/69/928477969.db2.gz OJSSALSVYFDNBT-NSHDSACASA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001437804546 928477977 /nfs/dbraw/zinc/47/79/77/928477977.db2.gz OJSSALSVYFDNBT-NSHDSACASA-N 1 1 305.338 -1.147 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](CCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001437815853 928478598 /nfs/dbraw/zinc/47/85/98/928478598.db2.gz ANDAHVNFKJZEEP-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](CCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001437815853 928478605 /nfs/dbraw/zinc/47/86/05/928478605.db2.gz ANDAHVNFKJZEEP-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437805651 928478667 /nfs/dbraw/zinc/47/86/67/928478667.db2.gz VEZQGNUQHFVADX-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437805651 928478673 /nfs/dbraw/zinc/47/86/73/928478673.db2.gz VEZQGNUQHFVADX-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478692 /nfs/dbraw/zinc/47/86/92/928478692.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)C1 ZINC001437781095 928478698 /nfs/dbraw/zinc/47/86/98/928478698.db2.gz NEKGCNHSDQCFFK-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCNC1=O ZINC001437759157 928479114 /nfs/dbraw/zinc/47/91/14/928479114.db2.gz LYVQSISRMOGURW-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(CN1CCOCC1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001437783845 928479292 /nfs/dbraw/zinc/47/92/92/928479292.db2.gz LMIIEKLDSIDTCS-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001437783845 928479300 /nfs/dbraw/zinc/47/93/00/928479300.db2.gz LMIIEKLDSIDTCS-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001437783972 928479573 /nfs/dbraw/zinc/47/95/73/928479573.db2.gz BNVDUVUFIKUQOF-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001437783972 928479575 /nfs/dbraw/zinc/47/95/75/928479575.db2.gz BNVDUVUFIKUQOF-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H](C)C(N)=O ZINC001437765174 928479816 /nfs/dbraw/zinc/47/98/16/928479816.db2.gz CBBISRHXBZATLT-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1ccnc1)CC(=O)NC(N)=O ZINC001437768291 928479871 /nfs/dbraw/zinc/47/98/71/928479871.db2.gz OWVBYERKDUKCLX-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ccnc1)CC(=O)NC(N)=O ZINC001437768291 928479878 /nfs/dbraw/zinc/47/98/78/928479878.db2.gz OWVBYERKDUKCLX-UHFFFAOYSA-N 1 1 310.358 -1.094 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)c1nnnn1C ZINC001437845597 928482250 /nfs/dbraw/zinc/48/22/50/928482250.db2.gz VZXWODYJXGQTOL-SFYZADRCSA-N 1 1 324.345 -2.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437935455 928484311 /nfs/dbraw/zinc/48/43/11/928484311.db2.gz MWFOETZEFYYCED-WDEREUQCSA-N 1 1 324.385 -1.716 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001437863627 928484379 /nfs/dbraw/zinc/48/43/79/928484379.db2.gz DJJLTHMBIYVEAW-ONGXEEELSA-N 1 1 307.354 -1.024 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001437992228 928486466 /nfs/dbraw/zinc/48/64/66/928486466.db2.gz HEVSJMAPWZAIEJ-UHFFFAOYSA-N 1 1 323.357 -1.216 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001437986165 928486935 /nfs/dbraw/zinc/48/69/35/928486935.db2.gz XDVOQBZXHBIPDF-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001437986170 928487286 /nfs/dbraw/zinc/48/72/86/928487286.db2.gz XDVOQBZXHBIPDF-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437983890 928487319 /nfs/dbraw/zinc/48/73/19/928487319.db2.gz UDQYOMUWNLVTLV-RKDXNWHRSA-N 1 1 323.357 -1.218 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001437974154 928487460 /nfs/dbraw/zinc/48/74/60/928487460.db2.gz DTFAPTIHQRDLHW-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001437986162 928487523 /nfs/dbraw/zinc/48/75/23/928487523.db2.gz XDVOQBZXHBIPDF-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC001437990931 928487783 /nfs/dbraw/zinc/48/77/83/928487783.db2.gz OAFGPEFKOLJPHX-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001438005108 928488434 /nfs/dbraw/zinc/48/84/34/928488434.db2.gz MZDAVJSBZYGGNI-UHFFFAOYSA-N 1 1 324.385 -1.460 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001437998975 928488477 /nfs/dbraw/zinc/48/84/77/928488477.db2.gz JYWVLTXLJXJVDJ-VIFPVBQESA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001438072226 928493006 /nfs/dbraw/zinc/49/30/06/928493006.db2.gz OPBPANVPWGCYPV-LLVKDONJSA-N 1 1 318.443 -1.322 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001438078179 928493852 /nfs/dbraw/zinc/49/38/52/928493852.db2.gz HKAHQRJQOPVJKH-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438070080 928494165 /nfs/dbraw/zinc/49/41/65/928494165.db2.gz JGECJUDBVCMSKC-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001438086925 928495579 /nfs/dbraw/zinc/49/55/79/928495579.db2.gz PIBFWFYBQKGXCW-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)NCC1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001438111535 928498708 /nfs/dbraw/zinc/49/87/08/928498708.db2.gz GUJGMMMMENVSEI-UHFFFAOYSA-N 1 1 320.415 -1.938 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001438169037 928503612 /nfs/dbraw/zinc/50/36/12/928503612.db2.gz QAZONKFGKFPTAA-QWRGUYRKSA-N 1 1 302.400 -1.265 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)Cn3cncn3)C2)C1=O ZINC001438164259 928503662 /nfs/dbraw/zinc/50/36/62/928503662.db2.gz PLBLZMINHSYUTF-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)OC ZINC001438166844 928504747 /nfs/dbraw/zinc/50/47/47/928504747.db2.gz BMMVPXACQLNRKY-VWYCJHECSA-N 1 1 320.415 -1.640 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438184689 928505658 /nfs/dbraw/zinc/50/56/58/928505658.db2.gz OXFPFYISKKLGSA-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438184689 928505664 /nfs/dbraw/zinc/50/56/64/928505664.db2.gz OXFPFYISKKLGSA-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001438210282 928506290 /nfs/dbraw/zinc/50/62/90/928506290.db2.gz RFSFZNSWSMNRQP-VHSXEESVSA-N 1 1 307.416 -1.115 20 0 DAADMO COC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001438197383 928508070 /nfs/dbraw/zinc/50/80/70/928508070.db2.gz LOEALMVTCUMWRA-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001438234649 928509226 /nfs/dbraw/zinc/50/92/26/928509226.db2.gz WMKLHRLGRTWZLE-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO CCN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001438258010 928509539 /nfs/dbraw/zinc/50/95/39/928509539.db2.gz HCGFRJFLEBECOY-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCS(N)(=O)=O)C1 ZINC001438242855 928510887 /nfs/dbraw/zinc/51/08/87/928510887.db2.gz PCFDKNJJVPPGFJ-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438265454 928511272 /nfs/dbraw/zinc/51/12/72/928511272.db2.gz MGUASOVLIWSCKH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438265454 928511279 /nfs/dbraw/zinc/51/12/79/928511279.db2.gz MGUASOVLIWSCKH-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001438233339 928511362 /nfs/dbraw/zinc/51/13/62/928511362.db2.gz SKCDUCKOFBFIOJ-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001438273272 928512544 /nfs/dbraw/zinc/51/25/44/928512544.db2.gz AMLUBFGLUAKVAB-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1CC ZINC001438277179 928512782 /nfs/dbraw/zinc/51/27/82/928512782.db2.gz WOVZITJPGCGKAJ-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001438294979 928513734 /nfs/dbraw/zinc/51/37/34/928513734.db2.gz OZRLDLPGLRZMRZ-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1ncnn1C ZINC001438376147 928515868 /nfs/dbraw/zinc/51/58/68/928515868.db2.gz SNRMDAOFTHIJFV-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CC[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1CCNC1=O ZINC001438370013 928516930 /nfs/dbraw/zinc/51/69/30/928516930.db2.gz KYKRBGYPABXOOW-SNVBAGLBSA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1nnn(C)n1 ZINC001438485089 928518727 /nfs/dbraw/zinc/51/87/27/928518727.db2.gz QEPFBCZQWZOGIY-WDEREUQCSA-N 1 1 312.374 -1.143 20 0 DAADMO C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1nnn(C)n1 ZINC001438483292 928518750 /nfs/dbraw/zinc/51/87/50/928518750.db2.gz VGQDGTFNOWRMQX-JTQLQIEISA-N 1 1 307.362 -1.266 20 0 DAADMO C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1nnn(C)n1 ZINC001438485057 928519083 /nfs/dbraw/zinc/51/90/83/928519083.db2.gz QEPFBCZQWZOGIY-GHMZBOCLSA-N 1 1 312.374 -1.143 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC001438573101 928525847 /nfs/dbraw/zinc/52/58/47/928525847.db2.gz YJQOBUJKYJHPJY-QWHCGFSZSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCO1 ZINC001438573099 928525890 /nfs/dbraw/zinc/52/58/90/928525890.db2.gz YJQOBUJKYJHPJY-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001438567531 928526649 /nfs/dbraw/zinc/52/66/49/928526649.db2.gz JVQBEINCSHKKEC-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001438567531 928526662 /nfs/dbraw/zinc/52/66/62/928526662.db2.gz JVQBEINCSHKKEC-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2nnnn2C)CCCC1 ZINC001438593845 928528550 /nfs/dbraw/zinc/52/85/50/928528550.db2.gz CVYUZAJRHJBGEK-UHFFFAOYSA-N 1 1 324.389 -1.342 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC2(C[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001438615668 928528864 /nfs/dbraw/zinc/52/88/64/928528864.db2.gz FCSNSRUAQTZAKK-UWVGGRQHSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCCNC1=O ZINC001438662602 928531108 /nfs/dbraw/zinc/53/11/08/928531108.db2.gz KRNILDZLZLIFKO-SNVBAGLBSA-N 1 1 324.389 -1.438 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001438687511 928532119 /nfs/dbraw/zinc/53/21/19/928532119.db2.gz CPFONFDVMYEUFZ-WPRPVWTQSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001438706453 928534555 /nfs/dbraw/zinc/53/45/55/928534555.db2.gz YCIUGHHLLAIDOU-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001438869056 928536697 /nfs/dbraw/zinc/53/66/97/928536697.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001438869056 928536701 /nfs/dbraw/zinc/53/67/01/928536701.db2.gz VVCZQYYLAMRBQN-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)on1 ZINC001438862469 928536989 /nfs/dbraw/zinc/53/69/89/928536989.db2.gz CILRPLWEESTFKQ-UHFFFAOYSA-N 1 1 313.314 -1.118 20 0 DAADMO COc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)on1 ZINC001438862469 928536999 /nfs/dbraw/zinc/53/69/99/928536999.db2.gz CILRPLWEESTFKQ-UHFFFAOYSA-N 1 1 313.314 -1.118 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)C1=COCCO1 ZINC001438841012 928537471 /nfs/dbraw/zinc/53/74/71/928537471.db2.gz RKPZYTMDHRNPOL-UHFFFAOYSA-N 1 1 321.399 -1.186 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)C1=COCCO1 ZINC001438841012 928537483 /nfs/dbraw/zinc/53/74/83/928537483.db2.gz RKPZYTMDHRNPOL-UHFFFAOYSA-N 1 1 321.399 -1.186 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001438869050 928537833 /nfs/dbraw/zinc/53/78/33/928537833.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001438869050 928537838 /nfs/dbraw/zinc/53/78/38/928537838.db2.gz VVCZQYYLAMRBQN-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438927296 928538938 /nfs/dbraw/zinc/53/89/38/928538938.db2.gz JFNVBROLFXCGDX-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438927296 928538945 /nfs/dbraw/zinc/53/89/45/928538945.db2.gz JFNVBROLFXCGDX-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539444 /nfs/dbraw/zinc/53/94/44/928539444.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)[C@@H](C)C(N)=O)C1 ZINC001438945463 928539452 /nfs/dbraw/zinc/53/94/52/928539452.db2.gz ITSIAECHYYFQSM-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001438905081 928540678 /nfs/dbraw/zinc/54/06/78/928540678.db2.gz INEZCTWCCJXCJS-LBPRGKRZSA-N 1 1 321.381 -1.043 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438937414 928541058 /nfs/dbraw/zinc/54/10/58/928541058.db2.gz ZXXHBHURTVXKET-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438937414 928541071 /nfs/dbraw/zinc/54/10/71/928541071.db2.gz ZXXHBHURTVXKET-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001438943672 928541265 /nfs/dbraw/zinc/54/12/65/928541265.db2.gz ZRNYKNOFZNCIOJ-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO Cc1nonc1C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001438943672 928541276 /nfs/dbraw/zinc/54/12/76/928541276.db2.gz ZRNYKNOFZNCIOJ-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ccnn1C ZINC001438875993 928541802 /nfs/dbraw/zinc/54/18/02/928541802.db2.gz XSDLYCWWYJOXGA-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ccnn1C ZINC001438875993 928541810 /nfs/dbraw/zinc/54/18/10/928541810.db2.gz XSDLYCWWYJOXGA-UHFFFAOYSA-N 1 1 324.385 -1.062 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)no1 ZINC001438953184 928543538 /nfs/dbraw/zinc/54/35/38/928543538.db2.gz AGWRDUUQAOIBQW-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1CC1CCOCC1 ZINC001438958319 928543823 /nfs/dbraw/zinc/54/38/23/928543823.db2.gz GWYCHGVNGULFRV-GFCCVEGCSA-N 1 1 312.374 -1.314 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438960009 928544436 /nfs/dbraw/zinc/54/44/36/928544436.db2.gz OLWROBOYUPPRAK-SECBINFHSA-N 1 1 313.383 -1.273 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438952908 928544498 /nfs/dbraw/zinc/54/44/98/928544498.db2.gz FYSJOGJAGUWCGF-XCBNKYQSSA-N 1 1 315.399 -1.062 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C2CC2)n1 ZINC001438969369 928546502 /nfs/dbraw/zinc/54/65/02/928546502.db2.gz FTLXOMPIQBFIAK-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COCCO2)nc1 ZINC001438966491 928547706 /nfs/dbraw/zinc/54/77/06/928547706.db2.gz CGOVUYHKRSUTOD-VXGBXAGGSA-N 1 1 310.354 -1.233 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cccn1)c1nnnn1C ZINC001438964902 928548142 /nfs/dbraw/zinc/54/81/42/928548142.db2.gz CLRKYVVWMSNSTL-NXEZZACHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)co1 ZINC001438970326 928550036 /nfs/dbraw/zinc/55/00/36/928550036.db2.gz MVVUHASOHQWGRK-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO COc1cc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)on1 ZINC001438974518 928550414 /nfs/dbraw/zinc/55/04/14/928550414.db2.gz YBIHFJHOFYKMEV-QMMMGPOBSA-N 1 1 321.355 -1.706 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001438973379 928551519 /nfs/dbraw/zinc/55/15/19/928551519.db2.gz TZTWUTXWCPMUGJ-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001438979858 928552723 /nfs/dbraw/zinc/55/27/23/928552723.db2.gz HCAIPFDFHUUMPR-WDEREUQCSA-N 1 1 324.385 -1.467 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001438980506 928553245 /nfs/dbraw/zinc/55/32/45/928553245.db2.gz YWQITIPGCJWECM-PSASIEDQSA-N 1 1 313.362 -2.184 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nncn2C)o1 ZINC001438978124 928553298 /nfs/dbraw/zinc/55/32/98/928553298.db2.gz CEDHLQLHQRTSRE-WCBMZHEXSA-N 1 1 323.357 -1.123 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)nc1 ZINC001438977569 928554237 /nfs/dbraw/zinc/55/42/37/928554237.db2.gz AIOVFLDZPYBZFU-SNVBAGLBSA-N 1 1 319.369 -1.019 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438977382 928554587 /nfs/dbraw/zinc/55/45/87/928554587.db2.gz SYYNMMIEJSFULH-SNVBAGLBSA-N 1 1 315.399 -1.108 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001438983386 928555675 /nfs/dbraw/zinc/55/56/75/928555675.db2.gz MIXYITQPIGBXPD-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO O=C(CC1OCCCO1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001438983190 928556230 /nfs/dbraw/zinc/55/62/30/928556230.db2.gz SBQZGIAOJJEGJH-JTQLQIEISA-N 1 1 300.315 -1.211 20 0 DAADMO O=C(CC1OCCCO1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001438983233 928556309 /nfs/dbraw/zinc/55/63/09/928556309.db2.gz SBQZGIAOJJEGJH-SNVBAGLBSA-N 1 1 300.315 -1.211 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001438983938 928556656 /nfs/dbraw/zinc/55/66/56/928556656.db2.gz UWZNJDGVJVUAFV-SNVBAGLBSA-N 1 1 311.346 -2.745 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)c2N)nn1 ZINC001438984724 928557176 /nfs/dbraw/zinc/55/71/76/928557176.db2.gz PRUSZZLEPJIPKZ-JTQLQIEISA-N 1 1 322.373 -1.506 20 0 DAADMO C[C@@H]1CCCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001438993942 928563729 /nfs/dbraw/zinc/56/37/29/928563729.db2.gz ADGIAWUOBBEBHP-GHMZBOCLSA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cnn[nH]1 ZINC001438993963 928564793 /nfs/dbraw/zinc/56/47/93/928564793.db2.gz AGJKWMVDLOXLCA-GHMZBOCLSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cnn[nH]1 ZINC001438993971 928564907 /nfs/dbraw/zinc/56/49/07/928564907.db2.gz AGJKWMVDLOXLCA-WDEREUQCSA-N 1 1 322.369 -1.362 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCCC2=O)[nH]1 ZINC001438999775 928566509 /nfs/dbraw/zinc/56/65/09/928566509.db2.gz JRGVEJKBAZLXSH-LLVKDONJSA-N 1 1 324.385 -1.308 20 0 DAADMO Cn1cc(CNC[C@@H](O)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001439004099 928568948 /nfs/dbraw/zinc/56/89/48/928568948.db2.gz MREUIJDLSPWJDH-CYBMUJFWSA-N 1 1 310.402 -1.134 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ccn1 ZINC001439003908 928569098 /nfs/dbraw/zinc/56/90/98/928569098.db2.gz SROUGXWZMGHLGS-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccn(C)c(=O)c2)n1 ZINC001439004486 928569239 /nfs/dbraw/zinc/56/92/39/928569239.db2.gz DPLSGGWLLHHWNZ-GFCCVEGCSA-N 1 1 320.353 -1.606 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@H]1CCS(=O)(=O)C1 ZINC001439007390 928572918 /nfs/dbraw/zinc/57/29/18/928572918.db2.gz CMNFWMSIRDXMHS-ONGXEEELSA-N 1 1 317.367 -1.324 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)[nH]1 ZINC001439014078 928576376 /nfs/dbraw/zinc/57/63/76/928576376.db2.gz PGBMSALQSKCCNV-DTWKUNHWSA-N 1 1 311.346 -2.297 20 0 DAADMO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001439013878 928577563 /nfs/dbraw/zinc/57/75/63/928577563.db2.gz OSYBEUYSAAYJNO-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001439016146 928578003 /nfs/dbraw/zinc/57/80/03/928578003.db2.gz AFKLQPAXGDSPHB-VHSXEESVSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001439013886 928578106 /nfs/dbraw/zinc/57/81/06/928578106.db2.gz OSYBEUYSAAYJNO-QWHCGFSZSA-N 1 1 312.414 -1.232 20 0 DAADMO CCCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001439014487 928578172 /nfs/dbraw/zinc/57/81/72/928578172.db2.gz ISYBWGFHTBBFQR-JTQLQIEISA-N 1 1 322.373 -1.234 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nc1 ZINC001439013904 928578467 /nfs/dbraw/zinc/57/84/67/928578467.db2.gz OVSRCZMMTAHXGH-NEPJUHHUSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001439020298 928579450 /nfs/dbraw/zinc/57/94/50/928579450.db2.gz JVEYGELINVXELQ-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncc(C2CC2)o1)[C@@H]1CNC(=O)N1 ZINC001439020500 928579928 /nfs/dbraw/zinc/57/99/28/928579928.db2.gz AFBNJOMNDHKAOZ-ZJUUUORDSA-N 1 1 323.353 -1.200 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncc(C2CC2)o1)[C@H]1CNC(=O)N1 ZINC001439020497 928579947 /nfs/dbraw/zinc/57/99/47/928579947.db2.gz AFBNJOMNDHKAOZ-VHSXEESVSA-N 1 1 323.353 -1.200 20 0 DAADMO O=C(Cc1cnoc1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001439027242 928581948 /nfs/dbraw/zinc/58/19/48/928581948.db2.gz XBYZDNSRVHHCQD-NSHDSACASA-N 1 1 321.341 -1.195 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001439028193 928581974 /nfs/dbraw/zinc/58/19/74/928581974.db2.gz CIMQEULXBNZASD-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001439025167 928582103 /nfs/dbraw/zinc/58/21/03/928582103.db2.gz WBERSTOBYLXDTG-YIZRAAEISA-N 1 1 313.383 -1.465 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001439028192 928583904 /nfs/dbraw/zinc/58/39/04/928583904.db2.gz CIMQEULXBNZASD-JTQLQIEISA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nnnn1C ZINC001439028365 928584033 /nfs/dbraw/zinc/58/40/33/928584033.db2.gz ZQEVVKGTDLAXSD-APLZJWDSSA-N 1 1 310.358 -1.770 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001439037099 928586018 /nfs/dbraw/zinc/58/60/18/928586018.db2.gz VOYRVJAIHQLEOP-LLVKDONJSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001439037099 928586026 /nfs/dbraw/zinc/58/60/26/928586026.db2.gz VOYRVJAIHQLEOP-LLVKDONJSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001439037249 928586475 /nfs/dbraw/zinc/58/64/75/928586475.db2.gz YKXDBDWSDHFFOH-MNOVXSKESA-N 1 1 307.354 -1.288 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439041199 928588396 /nfs/dbraw/zinc/58/83/96/928588396.db2.gz NTMRHYPZLDPBSJ-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439041199 928588405 /nfs/dbraw/zinc/58/84/05/928588405.db2.gz NTMRHYPZLDPBSJ-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439042309 928588826 /nfs/dbraw/zinc/58/88/26/928588826.db2.gz QAKUTGLLNJXMFX-ZJUUUORDSA-N 1 1 312.374 -1.260 20 0 DAADMO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439042309 928588835 /nfs/dbraw/zinc/58/88/35/928588835.db2.gz QAKUTGLLNJXMFX-ZJUUUORDSA-N 1 1 312.374 -1.260 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001439039205 928589053 /nfs/dbraw/zinc/58/90/53/928589053.db2.gz JITJZYIYSVSVAD-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001439039205 928589060 /nfs/dbraw/zinc/58/90/60/928589060.db2.gz JITJZYIYSVSVAD-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439037614 928589749 /nfs/dbraw/zinc/58/97/49/928589749.db2.gz ZUKBXYZLMMGOIF-IUCAKERBSA-N 1 1 311.346 -2.555 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001439044495 928590280 /nfs/dbraw/zinc/59/02/80/928590280.db2.gz UNKLSZVCMPTRJI-ZJUUUORDSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001439044495 928590288 /nfs/dbraw/zinc/59/02/88/928590288.db2.gz UNKLSZVCMPTRJI-ZJUUUORDSA-N 1 1 324.385 -1.116 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439046394 928591044 /nfs/dbraw/zinc/59/10/44/928591044.db2.gz WOSAJBVSWWJMQW-VIFPVBQESA-N 1 1 312.374 -1.210 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439046394 928591051 /nfs/dbraw/zinc/59/10/51/928591051.db2.gz WOSAJBVSWWJMQW-VIFPVBQESA-N 1 1 312.374 -1.210 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439046393 928591169 /nfs/dbraw/zinc/59/11/69/928591169.db2.gz WOSAJBVSWWJMQW-SECBINFHSA-N 1 1 312.374 -1.210 20 0 DAADMO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439046393 928591179 /nfs/dbraw/zinc/59/11/79/928591179.db2.gz WOSAJBVSWWJMQW-SECBINFHSA-N 1 1 312.374 -1.210 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1cccn(C)c1=O ZINC001439049918 928593485 /nfs/dbraw/zinc/59/34/85/928593485.db2.gz UEVHGCNGNOKLTG-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)Cc1ccn[nH]1 ZINC001439076235 928596285 /nfs/dbraw/zinc/59/62/85/928596285.db2.gz QMKNHIAQURGSQD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001439079371 928597086 /nfs/dbraw/zinc/59/70/86/928597086.db2.gz OAHVVBBOXAZBPJ-UWVGGRQHSA-N 1 1 309.374 -1.004 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001439099243 928598699 /nfs/dbraw/zinc/59/86/99/928598699.db2.gz FACQXZJXCWCIFY-PWSUYJOCSA-N 1 1 323.401 -1.067 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001439097789 928599590 /nfs/dbraw/zinc/59/95/90/928599590.db2.gz BCPCYEGVQRTGIN-BDAKNGLRSA-N 1 1 311.346 -1.214 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1coc(C)n1 ZINC001439135842 928601167 /nfs/dbraw/zinc/60/11/67/928601167.db2.gz JSDWJJZUVUVYHS-MRVPVSSYSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001439127549 928601340 /nfs/dbraw/zinc/60/13/40/928601340.db2.gz XAEZPRGGVPPGQF-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001439156148 928601356 /nfs/dbraw/zinc/60/13/56/928601356.db2.gz OHIBZZMQRBVVRL-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO COCCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001439142082 928602475 /nfs/dbraw/zinc/60/24/75/928602475.db2.gz ADFMOLLIVKWWTA-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001439156013 928602581 /nfs/dbraw/zinc/60/25/81/928602581.db2.gz MFFFIPNYRQRAAP-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1=NC(=O)N(C)C1 ZINC001439152014 928602673 /nfs/dbraw/zinc/60/26/73/928602673.db2.gz YDXHKSYCAUEBRG-SSDOTTSWSA-N 1 1 312.330 -1.711 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001439181419 928604195 /nfs/dbraw/zinc/60/41/95/928604195.db2.gz DVALEZHBLPJGFA-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNCc2nnn(C)n2)C1 ZINC001439180807 928604203 /nfs/dbraw/zinc/60/42/03/928604203.db2.gz KLFHDNIDHQMRPY-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNCc2nnn(C)n2)C1 ZINC001439180807 928604205 /nfs/dbraw/zinc/60/42/05/928604205.db2.gz KLFHDNIDHQMRPY-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001439160616 928604269 /nfs/dbraw/zinc/60/42/69/928604269.db2.gz BQQAKENSLNDLIZ-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001439183361 928605364 /nfs/dbraw/zinc/60/53/64/928605364.db2.gz RMYGUNRZUVHRMH-NXEZZACHSA-N 1 1 313.383 -1.237 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001439227500 928606398 /nfs/dbraw/zinc/60/63/98/928606398.db2.gz SBPWXSRGLQKSCV-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001439226896 928606438 /nfs/dbraw/zinc/60/64/38/928606438.db2.gz PFFLUIXOAVAPAQ-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CCNS(C)(=O)=O ZINC001439211808 928607847 /nfs/dbraw/zinc/60/78/47/928607847.db2.gz CQDWJYWIQDBBEC-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001439229193 928607937 /nfs/dbraw/zinc/60/79/37/928607937.db2.gz CPALRXRJKWTAPD-DTWKUNHWSA-N 1 1 316.387 -1.761 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001439229194 928608481 /nfs/dbraw/zinc/60/84/81/928608481.db2.gz CPALRXRJKWTAPD-IUCAKERBSA-N 1 1 316.387 -1.761 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001439283211 928610230 /nfs/dbraw/zinc/61/02/30/928610230.db2.gz DKTGEJDUURHVDT-DTWKUNHWSA-N 1 1 318.403 -1.200 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1ncn[nH]1 ZINC001439267113 928610826 /nfs/dbraw/zinc/61/08/26/928610826.db2.gz WVJNJJCDEIQXBH-QMMMGPOBSA-N 1 1 304.314 -1.059 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1nc[nH]n1 ZINC001439267113 928610836 /nfs/dbraw/zinc/61/08/36/928610836.db2.gz WVJNJJCDEIQXBH-QMMMGPOBSA-N 1 1 304.314 -1.059 20 0 DAADMO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439268363 928610953 /nfs/dbraw/zinc/61/09/53/928610953.db2.gz BYHYMNXIGNDIDS-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439259702 928611032 /nfs/dbraw/zinc/61/10/32/928611032.db2.gz GZFRSAJKVQKTMU-IUCAKERBSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1cn(C)c(=O)n1C ZINC001439288791 928611096 /nfs/dbraw/zinc/61/10/96/928611096.db2.gz PKQZHCOYUAEIMU-VIFPVBQESA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001439281183 928611457 /nfs/dbraw/zinc/61/14/57/928611457.db2.gz FGNMLEWBINAYKX-WPRPVWTQSA-N 1 1 316.387 -1.899 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001439297878 928613043 /nfs/dbraw/zinc/61/30/43/928613043.db2.gz NIHWWKGDKIHGGI-AAEUAGOBSA-N 1 1 311.386 -1.183 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330552 928613234 /nfs/dbraw/zinc/61/32/34/928613234.db2.gz LSDDPQWERGGQNO-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330552 928613238 /nfs/dbraw/zinc/61/32/38/928613238.db2.gz LSDDPQWERGGQNO-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)CC1=O ZINC001439327009 928613481 /nfs/dbraw/zinc/61/34/81/928613481.db2.gz DSKJYPRQKWRBIU-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)CC1=O ZINC001439327009 928613484 /nfs/dbraw/zinc/61/34/84/928613484.db2.gz DSKJYPRQKWRBIU-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001439316883 928613542 /nfs/dbraw/zinc/61/35/42/928613542.db2.gz FLDZEXCWRWMXHD-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1ncn(C)n1 ZINC001439316883 928613547 /nfs/dbraw/zinc/61/35/47/928613547.db2.gz FLDZEXCWRWMXHD-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439329416 928613710 /nfs/dbraw/zinc/61/37/10/928613710.db2.gz AGHNOBQIBWKQEI-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439329416 928613714 /nfs/dbraw/zinc/61/37/14/928613714.db2.gz AGHNOBQIBWKQEI-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001439326842 928613887 /nfs/dbraw/zinc/61/38/87/928613887.db2.gz CJADTIFBTZUKLL-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001439326842 928613893 /nfs/dbraw/zinc/61/38/93/928613893.db2.gz CJADTIFBTZUKLL-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325726 928613946 /nfs/dbraw/zinc/61/39/46/928613946.db2.gz AJAMGGJTJJPTCN-QWRGUYRKSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325726 928613952 /nfs/dbraw/zinc/61/39/52/928613952.db2.gz AJAMGGJTJJPTCN-QWRGUYRKSA-N 1 1 316.402 -1.338 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001439335358 928615717 /nfs/dbraw/zinc/61/57/17/928615717.db2.gz WMTAKBFRPWREFI-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001439335358 928615722 /nfs/dbraw/zinc/61/57/22/928615722.db2.gz WMTAKBFRPWREFI-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001439352252 928615755 /nfs/dbraw/zinc/61/57/55/928615755.db2.gz HKMPGKGEGFCDDM-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001439352252 928615763 /nfs/dbraw/zinc/61/57/63/928615763.db2.gz HKMPGKGEGFCDDM-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001439335360 928616754 /nfs/dbraw/zinc/61/67/54/928616754.db2.gz WMTAKBFRPWREFI-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001439335360 928616762 /nfs/dbraw/zinc/61/67/62/928616762.db2.gz WMTAKBFRPWREFI-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001439357652 928617300 /nfs/dbraw/zinc/61/73/00/928617300.db2.gz RREYMSZZOPOMAZ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CN1CCCCS1(=O)=O ZINC001439357652 928617312 /nfs/dbraw/zinc/61/73/12/928617312.db2.gz RREYMSZZOPOMAZ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001439378534 928618986 /nfs/dbraw/zinc/61/89/86/928618986.db2.gz KNOPUIJFLYHXJJ-LLVKDONJSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001439391457 928619072 /nfs/dbraw/zinc/61/90/72/928619072.db2.gz XSKVJBCPPOCINH-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001439391457 928619082 /nfs/dbraw/zinc/61/90/82/928619082.db2.gz XSKVJBCPPOCINH-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001439405475 928619336 /nfs/dbraw/zinc/61/93/36/928619336.db2.gz JBCXBDQSENLJAR-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001439405475 928619342 /nfs/dbraw/zinc/61/93/42/928619342.db2.gz JBCXBDQSENLJAR-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001439391470 928619588 /nfs/dbraw/zinc/61/95/88/928619588.db2.gz XSKVJBCPPOCINH-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001439391470 928619594 /nfs/dbraw/zinc/61/95/94/928619594.db2.gz XSKVJBCPPOCINH-WDEREUQCSA-N 1 1 324.385 -1.150 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)cn2n1 ZINC001439382343 928619702 /nfs/dbraw/zinc/61/97/02/928619702.db2.gz CSYVJLBSSOKJRR-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)cn2n1 ZINC001439382343 928619705 /nfs/dbraw/zinc/61/97/05/928619705.db2.gz CSYVJLBSSOKJRR-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)CCn1cnnn1 ZINC001439378725 928619802 /nfs/dbraw/zinc/61/98/02/928619802.db2.gz CUHXXDVQBGORLZ-LLVKDONJSA-N 1 1 307.362 -1.209 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001439395655 928619885 /nfs/dbraw/zinc/61/98/85/928619885.db2.gz CZNPJNPLCHTTLA-WCBMZHEXSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001439395655 928619891 /nfs/dbraw/zinc/61/98/91/928619891.db2.gz CZNPJNPLCHTTLA-WCBMZHEXSA-N 1 1 301.391 -1.009 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001439468700 928620603 /nfs/dbraw/zinc/62/06/03/928620603.db2.gz DINAUMKGRCZPAI-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001439452296 928621084 /nfs/dbraw/zinc/62/10/84/928621084.db2.gz DLYXPAJIMMRKKM-SNVBAGLBSA-N 1 1 309.374 -1.272 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001439478155 928622629 /nfs/dbraw/zinc/62/26/29/928622629.db2.gz RQKNQMQHFJGQQJ-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001439477184 928623713 /nfs/dbraw/zinc/62/37/13/928623713.db2.gz YRDSUNRSADRUTR-VXGBXAGGSA-N 1 1 321.385 -1.036 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001439474795 928624130 /nfs/dbraw/zinc/62/41/30/928624130.db2.gz SGKOJLGQYZDANA-UWVGGRQHSA-N 1 1 307.358 -1.221 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001439512799 928624462 /nfs/dbraw/zinc/62/44/62/928624462.db2.gz HUOZDYWRLCBGAF-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001439541074 928629357 /nfs/dbraw/zinc/62/93/57/928629357.db2.gz VEXVVZIODSEWCO-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001439558162 928629516 /nfs/dbraw/zinc/62/95/16/928629516.db2.gz IJHDJFNWKPTPTJ-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001439558162 928629520 /nfs/dbraw/zinc/62/95/20/928629520.db2.gz IJHDJFNWKPTPTJ-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)Cn2cnnn2)CC1)Nc1ccon1 ZINC001439585399 928632393 /nfs/dbraw/zinc/63/23/93/928632393.db2.gz DSFPIECWIGBYSN-UHFFFAOYSA-N 1 1 320.313 -1.462 20 0 DAADMO CCn1nncc1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001439601001 928634396 /nfs/dbraw/zinc/63/43/96/928634396.db2.gz HPDNHHSALIEFTO-UHFFFAOYSA-N 1 1 320.357 -1.228 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3cn[nH]c(=O)c3)CC2)nc1=O ZINC001439621459 928634930 /nfs/dbraw/zinc/63/49/30/928634930.db2.gz ZCPISVQAIQYAHF-UHFFFAOYSA-N 1 1 319.325 -1.344 20 0 DAADMO Cc1nonc1CC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001439663335 928637000 /nfs/dbraw/zinc/63/70/00/928637000.db2.gz DHYCTIBNZFQRKN-UHFFFAOYSA-N 1 1 321.341 -1.219 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001439728667 928639007 /nfs/dbraw/zinc/63/90/07/928639007.db2.gz MIEHEQGGCISCEZ-LBPRGKRZSA-N 1 1 314.430 -1.034 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001439730440 928639468 /nfs/dbraw/zinc/63/94/68/928639468.db2.gz WBAJNOGLKIIQIR-NSHDSACASA-N 1 1 323.415 -1.924 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](CCF)C1)C(N)=O ZINC001439843304 928645099 /nfs/dbraw/zinc/64/50/99/928645099.db2.gz AECRLGMDXMOTAC-GWCFXTLKSA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCF)C1)C(N)=O ZINC001439843304 928645103 /nfs/dbraw/zinc/64/51/03/928645103.db2.gz AECRLGMDXMOTAC-GWCFXTLKSA-N 1 1 302.350 -1.083 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439841677 928645623 /nfs/dbraw/zinc/64/56/23/928645623.db2.gz CKUDSIMYKUHJDD-CYBMUJFWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439841677 928645630 /nfs/dbraw/zinc/64/56/30/928645630.db2.gz CKUDSIMYKUHJDD-CYBMUJFWSA-N 1 1 307.358 -1.468 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCOC)C1 ZINC001439854964 928646110 /nfs/dbraw/zinc/64/61/10/928646110.db2.gz OGIJXYYNHOYGFX-LLVKDONJSA-N 1 1 308.404 -1.733 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](O)COC)C1 ZINC001439842686 928646652 /nfs/dbraw/zinc/64/66/52/928646652.db2.gz IAQRXPCUJIXLQS-GXFFZTMASA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848778 928647109 /nfs/dbraw/zinc/64/71/09/928647109.db2.gz IQQKDXVHBOQROH-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@]1(NC(=O)CN2CCNC(=O)C2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439860612 928648113 /nfs/dbraw/zinc/64/81/13/928648113.db2.gz VAEXTALWVWEXLO-IAQYHMDHSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@@]1(NC(=O)CN2CCNC(=O)C2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439860612 928648117 /nfs/dbraw/zinc/64/81/17/928648117.db2.gz VAEXTALWVWEXLO-IAQYHMDHSA-N 1 1 323.397 -2.113 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC[N@@H+](CCO)C1 ZINC001439934277 928648816 /nfs/dbraw/zinc/64/88/16/928648816.db2.gz DTMVINUWFGTKOH-IINYFYTJSA-N 1 1 312.370 -1.205 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439977322 928650591 /nfs/dbraw/zinc/65/05/91/928650591.db2.gz DVUGDZAUTSESII-XPTSAGLGSA-N 1 1 320.353 -1.886 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439977322 928650594 /nfs/dbraw/zinc/65/05/94/928650594.db2.gz DVUGDZAUTSESII-XPTSAGLGSA-N 1 1 320.353 -1.886 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001439977448 928650705 /nfs/dbraw/zinc/65/07/05/928650705.db2.gz FRIIYBOFKCONFD-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001439977448 928650710 /nfs/dbraw/zinc/65/07/10/928650710.db2.gz FRIIYBOFKCONFD-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973619 928650757 /nfs/dbraw/zinc/65/07/57/928650757.db2.gz AOPQDUAWHYCFHX-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cc[nH]c(=O)c1 ZINC001439973619 928650763 /nfs/dbraw/zinc/65/07/63/928650763.db2.gz AOPQDUAWHYCFHX-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001439970360 928651186 /nfs/dbraw/zinc/65/11/86/928651186.db2.gz DNKMXBNULMQGCU-SDBXPKJASA-N 1 1 311.342 -1.653 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)o1 ZINC001439970360 928651194 /nfs/dbraw/zinc/65/11/94/928651194.db2.gz DNKMXBNULMQGCU-SDBXPKJASA-N 1 1 311.342 -1.653 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001439975230 928651702 /nfs/dbraw/zinc/65/17/02/928651702.db2.gz AYKJYKXHJGBAHZ-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001439975230 928651708 /nfs/dbraw/zinc/65/17/08/928651708.db2.gz AYKJYKXHJGBAHZ-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001439977561 928651747 /nfs/dbraw/zinc/65/17/47/928651747.db2.gz FNMZQOMNOCNUJA-XHDPSFHLSA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001439976666 928651790 /nfs/dbraw/zinc/65/17/90/928651790.db2.gz DNTQHUDLWFSKRQ-ZFWWWQNUSA-N 1 1 322.413 -1.038 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001439975053 928652379 /nfs/dbraw/zinc/65/23/79/928652379.db2.gz CGGLSSTZXIMPIY-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)ncn1 ZINC001439975053 928652382 /nfs/dbraw/zinc/65/23/82/928652382.db2.gz CGGLSSTZXIMPIY-QMTHXVAHSA-N 1 1 307.354 -1.175 20 0 DAADMO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976694 928652400 /nfs/dbraw/zinc/65/24/00/928652400.db2.gz DMUKRJWXHAYIQR-CMPLNLGQSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976694 928652401 /nfs/dbraw/zinc/65/24/01/928652401.db2.gz DMUKRJWXHAYIQR-CMPLNLGQSA-N 1 1 308.400 -1.381 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978699 928653313 /nfs/dbraw/zinc/65/33/13/928653313.db2.gz LZKWCMCCCHTBEV-TZMCWYRMSA-N 1 1 301.387 -1.748 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001439982347 928653381 /nfs/dbraw/zinc/65/33/81/928653381.db2.gz LRFAOUIZJSIBBS-RNCFNFMXSA-N 1 1 314.342 -2.229 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001439982347 928653389 /nfs/dbraw/zinc/65/33/89/928653389.db2.gz LRFAOUIZJSIBBS-RNCFNFMXSA-N 1 1 314.342 -2.229 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439977855 928653426 /nfs/dbraw/zinc/65/34/26/928653426.db2.gz PHJRTUGMHMRCQB-QMTHXVAHSA-N 1 1 313.354 -1.309 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981338 928653497 /nfs/dbraw/zinc/65/34/97/928653497.db2.gz YFCVQENQJRLPJS-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981338 928653503 /nfs/dbraw/zinc/65/35/03/928653503.db2.gz YFCVQENQJRLPJS-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001439981062 928653712 /nfs/dbraw/zinc/65/37/12/928653712.db2.gz MVCSHTXCJYLDPJ-ZDUSSCGKSA-N 1 1 323.357 -2.542 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001439981062 928653716 /nfs/dbraw/zinc/65/37/16/928653716.db2.gz MVCSHTXCJYLDPJ-ZDUSSCGKSA-N 1 1 323.357 -2.542 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc[nH]2)C1 ZINC001439979769 928653864 /nfs/dbraw/zinc/65/38/64/928653864.db2.gz KQMRTQNTJXLUOI-AWEZNQCLSA-N 1 1 323.353 -1.363 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc[nH]2)C1 ZINC001439979769 928653870 /nfs/dbraw/zinc/65/38/70/928653870.db2.gz KQMRTQNTJXLUOI-AWEZNQCLSA-N 1 1 323.353 -1.363 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001439979598 928653934 /nfs/dbraw/zinc/65/39/34/928653934.db2.gz HNFYIFUHZLUGGO-BXUZGUMPSA-N 1 1 324.385 -1.644 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001439978485 928654006 /nfs/dbraw/zinc/65/40/06/928654006.db2.gz ODOBACQQQUPEHH-CQSZACIVSA-N 1 1 312.370 -1.062 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001439978485 928654012 /nfs/dbraw/zinc/65/40/12/928654012.db2.gz ODOBACQQQUPEHH-CQSZACIVSA-N 1 1 312.370 -1.062 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981341 928654032 /nfs/dbraw/zinc/65/40/32/928654032.db2.gz YFCVQENQJRLPJS-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981341 928654040 /nfs/dbraw/zinc/65/40/40/928654040.db2.gz YFCVQENQJRLPJS-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001439978342 928654281 /nfs/dbraw/zinc/65/42/81/928654281.db2.gz NGIYAAZWBJYFLP-SMDDNHRTSA-N 1 1 309.370 -1.035 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1ccn[nH]1 ZINC001439982416 928654440 /nfs/dbraw/zinc/65/44/40/928654440.db2.gz KYBXDLPJTKZLCX-SMDDNHRTSA-N 1 1 307.354 -1.145 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001439980613 928654517 /nfs/dbraw/zinc/65/45/17/928654517.db2.gz UTPNHMPLQWVXRG-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001439980613 928654524 /nfs/dbraw/zinc/65/45/24/928654524.db2.gz UTPNHMPLQWVXRG-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439978619 928654647 /nfs/dbraw/zinc/65/46/47/928654647.db2.gz LMGQAEVUXPBCNI-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001439978619 928654654 /nfs/dbraw/zinc/65/46/54/928654654.db2.gz LMGQAEVUXPBCNI-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439977853 928654777 /nfs/dbraw/zinc/65/47/77/928654777.db2.gz PHJRTUGMHMRCQB-IINYFYTJSA-N 1 1 313.354 -1.309 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001439978697 928654919 /nfs/dbraw/zinc/65/49/19/928654919.db2.gz LZKWCMCCCHTBEV-OCCSQVGLSA-N 1 1 301.387 -1.748 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981339 928654963 /nfs/dbraw/zinc/65/49/63/928654963.db2.gz YFCVQENQJRLPJS-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001439981339 928654969 /nfs/dbraw/zinc/65/49/69/928654969.db2.gz YFCVQENQJRLPJS-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(C)(F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439979561 928655140 /nfs/dbraw/zinc/65/51/40/928655140.db2.gz XZHZIPVBALIAGV-GFCCVEGCSA-N 1 1 304.322 -1.518 20 0 DAADMO CC(C)(F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439979561 928655148 /nfs/dbraw/zinc/65/51/48/928655148.db2.gz XZHZIPVBALIAGV-GFCCVEGCSA-N 1 1 304.322 -1.518 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001439978488 928655377 /nfs/dbraw/zinc/65/53/77/928655377.db2.gz OEQKYUJPYGQVSP-GFCCVEGCSA-N 1 1 322.312 -1.350 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001439978488 928655380 /nfs/dbraw/zinc/65/53/80/928655380.db2.gz OEQKYUJPYGQVSP-GFCCVEGCSA-N 1 1 322.312 -1.350 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980380 928655585 /nfs/dbraw/zinc/65/55/85/928655585.db2.gz WBTMLJJCCGJKKH-DOMZBBRYSA-N 1 1 309.366 -1.225 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980380 928655592 /nfs/dbraw/zinc/65/55/92/928655592.db2.gz WBTMLJJCCGJKKH-DOMZBBRYSA-N 1 1 309.366 -1.225 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001439983542 928656646 /nfs/dbraw/zinc/65/66/46/928656646.db2.gz RCROPCBVRDVAQT-DOMZBBRYSA-N 1 1 323.397 -1.087 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439984570 928656683 /nfs/dbraw/zinc/65/66/83/928656683.db2.gz AHNZQRZMNFPLNO-HNNXBMFYSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001439986069 928657291 /nfs/dbraw/zinc/65/72/91/928657291.db2.gz XVUORRUOWMQPBC-CQSZACIVSA-N 1 1 312.370 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001439986069 928657294 /nfs/dbraw/zinc/65/72/94/928657294.db2.gz XVUORRUOWMQPBC-CQSZACIVSA-N 1 1 312.370 -2.092 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001439983093 928658531 /nfs/dbraw/zinc/65/85/31/928658531.db2.gz YWDVEAFZXVXROU-ZANVPECISA-N 1 1 300.359 -2.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001439983093 928658541 /nfs/dbraw/zinc/65/85/41/928658541.db2.gz YWDVEAFZXVXROU-ZANVPECISA-N 1 1 300.359 -2.190 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001439994233 928659926 /nfs/dbraw/zinc/65/99/26/928659926.db2.gz UPSGYFGCQCSBDH-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001439994233 928659936 /nfs/dbraw/zinc/65/99/36/928659936.db2.gz UPSGYFGCQCSBDH-AWEZNQCLSA-N 1 1 323.353 -1.563 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccccc2=O)C1 ZINC001439992618 928660134 /nfs/dbraw/zinc/66/01/34/928660134.db2.gz ULJSIBAREYHUIC-OAHLLOKOSA-N 1 1 322.365 -1.723 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccccc2=O)C1 ZINC001439992618 928660138 /nfs/dbraw/zinc/66/01/38/928660138.db2.gz ULJSIBAREYHUIC-OAHLLOKOSA-N 1 1 322.365 -1.723 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)nn1 ZINC001439991938 928660151 /nfs/dbraw/zinc/66/01/51/928660151.db2.gz NQJAFFIISJXJEX-SMDDNHRTSA-N 1 1 322.369 -1.740 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001439990916 928660580 /nfs/dbraw/zinc/66/05/80/928660580.db2.gz LBRGSFOXQDDDDE-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001439997716 928660786 /nfs/dbraw/zinc/66/07/86/928660786.db2.gz FQQYPSMVFFQFEU-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001439997716 928660790 /nfs/dbraw/zinc/66/07/90/928660790.db2.gz FQQYPSMVFFQFEU-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001439995960 928660952 /nfs/dbraw/zinc/66/09/52/928660952.db2.gz BBLHHMDVRXDRMH-YGRLFVJLSA-N 1 1 309.370 -1.149 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995250 928660987 /nfs/dbraw/zinc/66/09/87/928660987.db2.gz XGJZVHOMLDLUTP-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995250 928660988 /nfs/dbraw/zinc/66/09/88/928660988.db2.gz XGJZVHOMLDLUTP-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001439990922 928661049 /nfs/dbraw/zinc/66/10/49/928661049.db2.gz LBRGSFOXQDDDDE-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439989500 928661112 /nfs/dbraw/zinc/66/11/12/928661112.db2.gz LYRDHHRDTCZBOE-ZANVPECISA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439989500 928661114 /nfs/dbraw/zinc/66/11/14/928661114.db2.gz LYRDHHRDTCZBOE-ZANVPECISA-N 1 1 313.358 -2.643 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001439994258 928661179 /nfs/dbraw/zinc/66/11/79/928661179.db2.gz UPSGYFGCQCSBDH-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001439994258 928661182 /nfs/dbraw/zinc/66/11/82/928661182.db2.gz UPSGYFGCQCSBDH-CQSZACIVSA-N 1 1 323.353 -1.563 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001439997003 928661225 /nfs/dbraw/zinc/66/12/25/928661225.db2.gz ZWNRAMYATIOCIC-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001440008435 928662497 /nfs/dbraw/zinc/66/24/97/928662497.db2.gz OIEBRNITTMJCAJ-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440008126 928662874 /nfs/dbraw/zinc/66/28/74/928662874.db2.gz VIIPWIVBFJKVMI-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001440008126 928662881 /nfs/dbraw/zinc/66/28/81/928662881.db2.gz VIIPWIVBFJKVMI-OAHLLOKOSA-N 1 1 322.365 -1.702 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cccnn1 ZINC001440004851 928663125 /nfs/dbraw/zinc/66/31/25/928663125.db2.gz DZPLTUWQVDEFDN-IUODEOHRSA-N 1 1 319.365 -1.078 20 0 DAADMO CCOc1nc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)co1 ZINC001440008286 928663243 /nfs/dbraw/zinc/66/32/43/928663243.db2.gz WTUBJNMEXBIGLZ-CYBMUJFWSA-N 1 1 312.326 -1.275 20 0 DAADMO CCOc1nc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)co1 ZINC001440008286 928663244 /nfs/dbraw/zinc/66/32/44/928663244.db2.gz WTUBJNMEXBIGLZ-CYBMUJFWSA-N 1 1 312.326 -1.275 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001440007958 928663307 /nfs/dbraw/zinc/66/33/07/928663307.db2.gz GIRGUFJQKBHRFT-TVQRCGJNSA-N 1 1 323.340 -1.044 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001440003653 928663333 /nfs/dbraw/zinc/66/33/33/928663333.db2.gz HENXJLHEMAHOGX-XPTSAGLGSA-N 1 1 310.354 -1.466 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001440003653 928663337 /nfs/dbraw/zinc/66/33/37/928663337.db2.gz HENXJLHEMAHOGX-XPTSAGLGSA-N 1 1 310.354 -1.466 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1ccnc2n[nH]nc21 ZINC001440001509 928663342 /nfs/dbraw/zinc/66/33/42/928663342.db2.gz PIGGIJAXDOGBSK-CQSZACIVSA-N 1 1 320.353 -1.098 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001440004615 928663396 /nfs/dbraw/zinc/66/33/96/928663396.db2.gz OZUTYVYCQAFXDE-PWSUYJOCSA-N 1 1 308.400 -1.381 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001440004615 928663401 /nfs/dbraw/zinc/66/34/01/928663401.db2.gz OZUTYVYCQAFXDE-PWSUYJOCSA-N 1 1 308.400 -1.381 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440004074 928664098 /nfs/dbraw/zinc/66/40/98/928664098.db2.gz VGJUKVWTNCLTSV-ZDUSSCGKSA-N 1 1 319.325 -2.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440004074 928664101 /nfs/dbraw/zinc/66/41/01/928664101.db2.gz VGJUKVWTNCLTSV-ZDUSSCGKSA-N 1 1 319.325 -2.224 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440018811 928668623 /nfs/dbraw/zinc/66/86/23/928668623.db2.gz JIHGZIJXNSLRDE-CYBMUJFWSA-N 1 1 313.333 -1.480 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440018811 928668628 /nfs/dbraw/zinc/66/86/28/928668628.db2.gz JIHGZIJXNSLRDE-CYBMUJFWSA-N 1 1 313.333 -1.480 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001440019690 928668701 /nfs/dbraw/zinc/66/87/01/928668701.db2.gz ZDRKKQGMCKWRSJ-BXUZGUMPSA-N 1 1 300.403 -1.245 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001440017373 928668969 /nfs/dbraw/zinc/66/89/69/928668969.db2.gz URLXMFLTCRYFIO-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022885 928669285 /nfs/dbraw/zinc/66/92/85/928669285.db2.gz MIXUNXWKHMMKSO-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022885 928669293 /nfs/dbraw/zinc/66/92/93/928669293.db2.gz MIXUNXWKHMMKSO-BMIGLBTASA-N 1 1 322.365 -1.574 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001440020828 928669524 /nfs/dbraw/zinc/66/95/24/928669524.db2.gz SXVSMUKQYQUBBM-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccccc2=O)C1 ZINC001440020926 928670162 /nfs/dbraw/zinc/67/01/62/928670162.db2.gz GRAHKOXUGCYLGX-WFASDCNBSA-N 1 1 309.366 -1.218 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440021858 928670224 /nfs/dbraw/zinc/67/02/24/928670224.db2.gz WCBHSFXGBILSTF-BXUZGUMPSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440021858 928670229 /nfs/dbraw/zinc/67/02/29/928670229.db2.gz WCBHSFXGBILSTF-BXUZGUMPSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440022189 928670699 /nfs/dbraw/zinc/67/06/99/928670699.db2.gz YZRSGUHKMXKBBA-UEKVPHQBSA-N 1 1 321.381 -1.438 20 0 DAADMO Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440022189 928670706 /nfs/dbraw/zinc/67/07/06/928670706.db2.gz YZRSGUHKMXKBBA-UEKVPHQBSA-N 1 1 321.381 -1.438 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001440025204 928671444 /nfs/dbraw/zinc/67/14/44/928671444.db2.gz VFEDFNXBLXGTIS-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001440025204 928671449 /nfs/dbraw/zinc/67/14/49/928671449.db2.gz VFEDFNXBLXGTIS-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001440026178 928671456 /nfs/dbraw/zinc/67/14/56/928671456.db2.gz WDVUBWCQSKZKEB-OAHLLOKOSA-N 1 1 322.365 -1.400 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440024276 928671563 /nfs/dbraw/zinc/67/15/63/928671563.db2.gz QCNNDSRUCVZLJB-NOZJJQNGSA-N 1 1 310.358 -1.836 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440024285 928671593 /nfs/dbraw/zinc/67/15/93/928671593.db2.gz QCNNDSRUCVZLJB-ZANVPECISA-N 1 1 310.358 -1.836 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440028115 928671917 /nfs/dbraw/zinc/67/19/17/928671917.db2.gz BADPTNYDVAEXAI-BXUZGUMPSA-N 1 1 311.386 -1.319 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001440024676 928672180 /nfs/dbraw/zinc/67/21/80/928672180.db2.gz ZLAPBGKBWGGNCO-RISCZKNCSA-N 1 1 316.402 -1.241 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001440023995 928672209 /nfs/dbraw/zinc/67/22/09/928672209.db2.gz ORRHZUWDBDESIT-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@@H]2CCNC2=O)C1 ZINC001440027187 928672711 /nfs/dbraw/zinc/67/27/11/928672711.db2.gz ZDXHKUCWCFBSBF-DOMZBBRYSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001440024675 928672837 /nfs/dbraw/zinc/67/28/37/928672837.db2.gz ZLAPBGKBWGGNCO-BXUZGUMPSA-N 1 1 316.402 -1.241 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001440024004 928673211 /nfs/dbraw/zinc/67/32/11/928673211.db2.gz ORRHZUWDBDESIT-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035718 928674639 /nfs/dbraw/zinc/67/46/39/928674639.db2.gz ULPMZJFNQIPNQE-ZANVPECISA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035718 928674645 /nfs/dbraw/zinc/67/46/45/928674645.db2.gz ULPMZJFNQIPNQE-ZANVPECISA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032619 928675342 /nfs/dbraw/zinc/67/53/42/928675342.db2.gz NIMGVHSAZCFCHN-YGRLFVJLSA-N 1 1 324.385 -1.826 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032619 928675350 /nfs/dbraw/zinc/67/53/50/928675350.db2.gz NIMGVHSAZCFCHN-YGRLFVJLSA-N 1 1 324.385 -1.826 20 0 DAADMO Cc1ncoc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001440045436 928680683 /nfs/dbraw/zinc/68/06/83/928680683.db2.gz WATHLBJMAUWLHW-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1ncoc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001440045436 928680687 /nfs/dbraw/zinc/68/06/87/928680687.db2.gz WATHLBJMAUWLHW-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001440054046 928681898 /nfs/dbraw/zinc/68/18/98/928681898.db2.gz DWRIJZXBYKAUKH-UHFFFAOYSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN([C@@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001440058019 928683518 /nfs/dbraw/zinc/68/35/18/928683518.db2.gz UFWFPYGCXPJALZ-JHJVBQTASA-N 1 1 324.425 -1.280 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3cn(C)nn3)C2)C1 ZINC001440079433 928687383 /nfs/dbraw/zinc/68/73/83/928687383.db2.gz WOBOMLWYBLNMOK-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001440084411 928689542 /nfs/dbraw/zinc/68/95/42/928689542.db2.gz WERJFHWBHKXPAT-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001440084410 928689571 /nfs/dbraw/zinc/68/95/71/928689571.db2.gz WERJFHWBHKXPAT-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO COC[C@H](OC)C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001440080204 928689797 /nfs/dbraw/zinc/68/97/97/928689797.db2.gz ZXEFZHHBRQAAGJ-NEPJUHHUSA-N 1 1 302.371 -1.153 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN([C@@H]2CCN(C)C2=O)C1 ZINC001440085918 928692351 /nfs/dbraw/zinc/69/23/51/928692351.db2.gz TXGYJLNRYPIDLZ-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN([C@H]3CCCNC3=O)C2)C1 ZINC001440094747 928693717 /nfs/dbraw/zinc/69/37/17/928693717.db2.gz JHFATIIEEIRRSO-NEPJUHHUSA-N 1 1 310.398 -1.620 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@H]2CCN(C)C2=O)C1 ZINC001440095404 928693986 /nfs/dbraw/zinc/69/39/86/928693986.db2.gz QDTLTONHBNTZGV-LBPRGKRZSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(CC(=O)N(C)C)C1 ZINC001440096830 928694831 /nfs/dbraw/zinc/69/48/31/928694831.db2.gz XGYHCSCVAKFCLZ-UHFFFAOYSA-N 1 1 300.403 -1.422 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001440152302 928696546 /nfs/dbraw/zinc/69/65/46/928696546.db2.gz NVXJYERKPQTFHL-DTORHVGOSA-N 1 1 319.387 -3.084 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171635 928698099 /nfs/dbraw/zinc/69/80/99/928698099.db2.gz DDBXWHUVQZYNIC-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001440171635 928698108 /nfs/dbraw/zinc/69/81/08/928698108.db2.gz DDBXWHUVQZYNIC-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2nccnc2N)C1 ZINC001440167980 928698640 /nfs/dbraw/zinc/69/86/40/928698640.db2.gz ZLNGMCPZQNKTAM-HZMBPMFUSA-N 1 1 309.370 -1.004 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440169477 928699159 /nfs/dbraw/zinc/69/91/59/928699159.db2.gz ACPLMCPURBKFHE-TZMCWYRMSA-N 1 1 302.371 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001440187377 928700750 /nfs/dbraw/zinc/70/07/50/928700750.db2.gz IJVUVPWDPLOSRY-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001440181791 928702034 /nfs/dbraw/zinc/70/20/34/928702034.db2.gz AEIMMPJTNIXYLE-WDEREUQCSA-N 1 1 320.415 -1.902 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440176847 928702194 /nfs/dbraw/zinc/70/21/94/928702194.db2.gz BEMBDMSTGYPEFN-XUJVJEKNSA-N 1 1 313.398 -1.177 20 0 DAADMO O=C(CCCn1cncn1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440176727 928702246 /nfs/dbraw/zinc/70/22/46/928702246.db2.gz AVCNZDORWLNWFJ-AWEZNQCLSA-N 1 1 311.386 -1.006 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001440186430 928702438 /nfs/dbraw/zinc/70/24/38/928702438.db2.gz BOIBNARFOVJOOW-XHDPSFHLSA-N 1 1 324.381 -1.282 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001440195824 928703676 /nfs/dbraw/zinc/70/36/76/928703676.db2.gz UNYYCQJGECNBCG-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001440195821 928703708 /nfs/dbraw/zinc/70/37/08/928703708.db2.gz UNYYCQJGECNBCG-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001440198403 928704807 /nfs/dbraw/zinc/70/48/07/928704807.db2.gz DJKUFVAKEPATOB-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cnco1)c1nnnn1C ZINC001440205775 928706753 /nfs/dbraw/zinc/70/67/53/928706753.db2.gz ITEYWEBMOKHLLB-SECBINFHSA-N 1 1 309.330 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001440263350 928711434 /nfs/dbraw/zinc/71/14/34/928711434.db2.gz JXWUYXMCXVMVTL-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1CC(C)C ZINC001440254886 928711818 /nfs/dbraw/zinc/71/18/18/928711818.db2.gz KEFFJJZDOCTDBY-NSHDSACASA-N 1 1 322.431 -1.487 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1COCC[N@H+]1CC(C)C ZINC001440254886 928711821 /nfs/dbraw/zinc/71/18/21/928711821.db2.gz KEFFJJZDOCTDBY-NSHDSACASA-N 1 1 322.431 -1.487 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001440291023 928713480 /nfs/dbraw/zinc/71/34/80/928713480.db2.gz TZLRXZQBARGDAT-PHIMTYICSA-N 1 1 322.369 -1.514 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001440397946 928719858 /nfs/dbraw/zinc/71/98/58/928719858.db2.gz YICQIODHVUDUMV-CMPLNLGQSA-N 1 1 324.385 -1.356 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 ZINC001440450363 928722045 /nfs/dbraw/zinc/72/20/45/928722045.db2.gz RUEYMLCRAIJSMP-AXFHLTTASA-N 1 1 311.386 -1.301 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cn1cnnn1 ZINC001440406079 928722597 /nfs/dbraw/zinc/72/25/97/928722597.db2.gz OBDJONXPFWUXDC-UHFFFAOYSA-N 1 1 312.334 -2.352 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cn1ncnn1 ZINC001440430273 928722729 /nfs/dbraw/zinc/72/27/29/928722729.db2.gz HEKRMJUPJKURIF-UHFFFAOYSA-N 1 1 312.334 -2.352 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)CC[C@@H]2C1 ZINC001440452643 928722950 /nfs/dbraw/zinc/72/29/50/928722950.db2.gz ZUIOSTQHWDNPBL-UTUOFQBUSA-N 1 1 319.427 -1.303 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440456164 928723151 /nfs/dbraw/zinc/72/31/51/928723151.db2.gz LUZWBGWNMDXJKX-ZYHUDNBSSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440456164 928723157 /nfs/dbraw/zinc/72/31/57/928723157.db2.gz LUZWBGWNMDXJKX-ZYHUDNBSSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(=O)NCc1nc(C[NH2+]CC(=O)N2CCOCC2)cc(=O)[nH]1 ZINC001440416907 928723610 /nfs/dbraw/zinc/72/36/10/928723610.db2.gz ZBZOHTROEMLIHX-UHFFFAOYSA-N 1 1 323.353 -1.233 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)CC[C@@H]2C1 ZINC001440452637 928723938 /nfs/dbraw/zinc/72/39/38/928723938.db2.gz ZUIOSTQHWDNPBL-TUAOUCFPSA-N 1 1 319.427 -1.303 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440481415 928725493 /nfs/dbraw/zinc/72/54/93/928725493.db2.gz LFSKRJCZKBFOFZ-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440481415 928725498 /nfs/dbraw/zinc/72/54/98/928725498.db2.gz LFSKRJCZKBFOFZ-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001440457758 928725511 /nfs/dbraw/zinc/72/55/11/928725511.db2.gz VJHWFCQSDTUBGA-NXEZZACHSA-N 1 1 314.342 -2.135 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001440457758 928725517 /nfs/dbraw/zinc/72/55/17/928725517.db2.gz VJHWFCQSDTUBGA-NXEZZACHSA-N 1 1 314.342 -2.135 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001440463098 928726762 /nfs/dbraw/zinc/72/67/62/928726762.db2.gz ZRVVSSMUHSIOMH-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001440502389 928727920 /nfs/dbraw/zinc/72/79/20/928727920.db2.gz SSMJXJQJXYNHIL-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001440538154 928728234 /nfs/dbraw/zinc/72/82/34/928728234.db2.gz ZSILLDLLQSZCQO-LLVKDONJSA-N 1 1 312.374 -1.661 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001440512143 928728714 /nfs/dbraw/zinc/72/87/14/928728714.db2.gz HXTIRRCCVGSUMW-NSHDSACASA-N 1 1 314.386 -1.223 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001440512278 928728755 /nfs/dbraw/zinc/72/87/55/928728755.db2.gz QBDVHXWDTUKZGC-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001440512142 928728786 /nfs/dbraw/zinc/72/87/86/928728786.db2.gz HXTIRRCCVGSUMW-LLVKDONJSA-N 1 1 314.386 -1.223 20 0 DAADMO Cn1cc(C[NH2+][C@@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001440544020 928729168 /nfs/dbraw/zinc/72/91/68/928729168.db2.gz HWKQAOCZKSMAHI-ZDUSSCGKSA-N 1 1 320.357 -1.310 20 0 DAADMO CN(C)C(=O)CN[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440550850 928730235 /nfs/dbraw/zinc/73/02/35/928730235.db2.gz QUFLTIRYRPOXAH-HNNXBMFYSA-N 1 1 314.430 -1.031 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001440636251 928737318 /nfs/dbraw/zinc/73/73/18/928737318.db2.gz PMIJJLHRRPXENN-MNOVXSKESA-N 1 1 323.353 -1.366 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)[C@H](C)C1 ZINC001440637133 928738080 /nfs/dbraw/zinc/73/80/80/928738080.db2.gz POJNUGHPAAHGHM-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)C1 ZINC001440637133 928738087 /nfs/dbraw/zinc/73/80/87/928738087.db2.gz POJNUGHPAAHGHM-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO Cn1ncc(C[NH2+]CC2(O)CCN(C(=O)c3cnon3)CC2)n1 ZINC001440638790 928738783 /nfs/dbraw/zinc/73/87/83/928738783.db2.gz ZXOXTCHLBMBSCC-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001440695008 928739566 /nfs/dbraw/zinc/73/95/66/928739566.db2.gz AOCBEXLKKCUJPC-PGUXBMHVSA-N 1 1 311.382 -1.160 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001440695799 928740909 /nfs/dbraw/zinc/74/09/09/928740909.db2.gz IUOJFRHLUQBGMP-SECBINFHSA-N 1 1 311.346 -2.510 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724134 928741029 /nfs/dbraw/zinc/74/10/29/928741029.db2.gz TXOLVHMDWOZGSR-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001440724134 928741038 /nfs/dbraw/zinc/74/10/38/928741038.db2.gz TXOLVHMDWOZGSR-VXGBXAGGSA-N 1 1 322.427 -1.039 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001440698794 928741553 /nfs/dbraw/zinc/74/15/53/928741553.db2.gz CTDVXVTYCCOPJT-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(N)=O ZINC001440718657 928741609 /nfs/dbraw/zinc/74/16/09/928741609.db2.gz FKCIVVWHSGDDAL-RLCGTCKNSA-N 1 1 319.365 -1.100 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001440736490 928742283 /nfs/dbraw/zinc/74/22/83/928742283.db2.gz PSITUHLKZPERJF-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001440736490 928742292 /nfs/dbraw/zinc/74/22/92/928742292.db2.gz PSITUHLKZPERJF-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001440738094 928743783 /nfs/dbraw/zinc/74/37/83/928743783.db2.gz VWHZQVSUVCARQG-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)c1=O ZINC001440742194 928744111 /nfs/dbraw/zinc/74/41/11/928744111.db2.gz YZYZBZVHYJLXKP-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001440812871 928746659 /nfs/dbraw/zinc/74/66/59/928746659.db2.gz TZQUTCRRNZQNCP-BDAKNGLRSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001440799332 928746960 /nfs/dbraw/zinc/74/69/60/928746960.db2.gz BSLPXQGWDIUDEC-BDAKNGLRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@H+](C)CC(=O)N1CCC1 ZINC001440921031 928748144 /nfs/dbraw/zinc/74/81/44/928748144.db2.gz RTKHTYDRIWKKFL-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@@H+](C)CC(=O)N1CCC1 ZINC001440921031 928748149 /nfs/dbraw/zinc/74/81/49/928748149.db2.gz RTKHTYDRIWKKFL-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440895221 928748598 /nfs/dbraw/zinc/74/85/98/928748598.db2.gz ZENVKFXTIZZFTR-MRVPVSSYSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440895221 928748602 /nfs/dbraw/zinc/74/86/02/928748602.db2.gz ZENVKFXTIZZFTR-MRVPVSSYSA-N 1 1 300.315 -1.494 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001440921414 928749078 /nfs/dbraw/zinc/74/90/78/928749078.db2.gz CWDWQZCDCYRGAD-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001440921414 928749086 /nfs/dbraw/zinc/74/90/86/928749086.db2.gz CWDWQZCDCYRGAD-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440891981 928749119 /nfs/dbraw/zinc/74/91/19/928749119.db2.gz OFOAJTWDIAXRSX-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440891981 928749123 /nfs/dbraw/zinc/74/91/23/928749123.db2.gz OFOAJTWDIAXRSX-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)C1=COCCO1 ZINC001440893469 928750004 /nfs/dbraw/zinc/75/00/04/928750004.db2.gz UCXQLYOHNANADV-DTWKUNHWSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001440949735 928750799 /nfs/dbraw/zinc/75/07/99/928750799.db2.gz YZQGZOPSUZGXAD-NWDGAFQWSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[N@H+](C)CC(N)=O ZINC001440947433 928750860 /nfs/dbraw/zinc/75/08/60/928750860.db2.gz UPYIHRJHEXTSIB-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[N@@H+](C)CC(N)=O ZINC001440947433 928750865 /nfs/dbraw/zinc/75/08/65/928750865.db2.gz UPYIHRJHEXTSIB-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001440929102 928750970 /nfs/dbraw/zinc/75/09/70/928750970.db2.gz QQQTXXRARRYEMQ-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001440974250 928751431 /nfs/dbraw/zinc/75/14/31/928751431.db2.gz JGVQLHUWZYFIMP-WDEREUQCSA-N 1 1 322.369 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931087 928751553 /nfs/dbraw/zinc/75/15/53/928751553.db2.gz TZKNSTRTYMJGSJ-MNOVXSKESA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001440931087 928751557 /nfs/dbraw/zinc/75/15/57/928751557.db2.gz TZKNSTRTYMJGSJ-MNOVXSKESA-N 1 1 316.402 -1.338 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1CCCC1=O ZINC001440948325 928751650 /nfs/dbraw/zinc/75/16/50/928751650.db2.gz AOEHERFCTNUTKF-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@H+](C)C[C@H](C)O ZINC001440974246 928751700 /nfs/dbraw/zinc/75/17/00/928751700.db2.gz JGVQLHUWZYFIMP-MNOVXSKESA-N 1 1 322.369 -1.292 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[N@H+](C)CC(N)=O ZINC001440947432 928751811 /nfs/dbraw/zinc/75/18/11/928751811.db2.gz UPYIHRJHEXTSIB-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)[N@@H+](C)CC(N)=O ZINC001440947432 928751819 /nfs/dbraw/zinc/75/18/19/928751819.db2.gz UPYIHRJHEXTSIB-SCZZXKLOSA-N 1 1 308.342 -1.713 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001440957121 928751843 /nfs/dbraw/zinc/75/18/43/928751843.db2.gz RKTSYJATHGSVJP-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)nn21 ZINC001440997053 928753956 /nfs/dbraw/zinc/75/39/56/928753956.db2.gz DJVVDLMQHMREOR-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)nn21 ZINC001440997053 928753962 /nfs/dbraw/zinc/75/39/62/928753962.db2.gz DJVVDLMQHMREOR-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001441014216 928754581 /nfs/dbraw/zinc/75/45/81/928754581.db2.gz ZRDFOXBFAFLCAJ-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001441014216 928754591 /nfs/dbraw/zinc/75/45/91/928754591.db2.gz ZRDFOXBFAFLCAJ-JTQLQIEISA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001441014229 928754779 /nfs/dbraw/zinc/75/47/79/928754779.db2.gz ZRDFOXBFAFLCAJ-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001441014229 928754788 /nfs/dbraw/zinc/75/47/88/928754788.db2.gz ZRDFOXBFAFLCAJ-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001440988556 928755026 /nfs/dbraw/zinc/75/50/26/928755026.db2.gz LWDHMUJHVPAGPF-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001440988556 928755032 /nfs/dbraw/zinc/75/50/32/928755032.db2.gz LWDHMUJHVPAGPF-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001441025549 928756421 /nfs/dbraw/zinc/75/64/21/928756421.db2.gz AMVABIDZUZBIFM-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001441034291 928756486 /nfs/dbraw/zinc/75/64/86/928756486.db2.gz KQDKWBIOAPDIIQ-WDEREUQCSA-N 1 1 314.386 -1.219 20 0 DAADMO Cc1nc(CC(=O)NCCN2CC[NH+](CCCO)CC2)n[nH]1 ZINC001441052903 928760047 /nfs/dbraw/zinc/76/00/47/928760047.db2.gz CVTLXSFSWYMDST-UHFFFAOYSA-N 1 1 310.402 -1.228 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN1CCN(CC(N)=O)CC1 ZINC001441062974 928762571 /nfs/dbraw/zinc/76/25/71/928762571.db2.gz HRLULZXAFGPIKI-CYBMUJFWSA-N 1 1 311.430 -1.310 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001441060375 928762922 /nfs/dbraw/zinc/76/29/22/928762922.db2.gz ARDCAASPTQMBIF-MNOVXSKESA-N 1 1 314.386 -1.618 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCN1CC[NH+](CCCO)CC1 ZINC001441067101 928763804 /nfs/dbraw/zinc/76/38/04/928763804.db2.gz CPGUXPXPJQXTLD-UHFFFAOYSA-N 1 1 310.402 -1.147 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001441083437 928764769 /nfs/dbraw/zinc/76/47/69/928764769.db2.gz AMFWMBCZWPJFDU-KGLIPLIRSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(CC(=O)N3CCC3)C2)C1 ZINC001441071614 928765639 /nfs/dbraw/zinc/76/56/39/928765639.db2.gz NLVWSGHKSVVBBI-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1nnnc1CN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001441072692 928765793 /nfs/dbraw/zinc/76/57/93/928765793.db2.gz SQFFJMOJYNAEHA-NSHDSACASA-N 1 1 323.401 -1.785 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)Cn2cncn2)C1 ZINC001441071590 928766276 /nfs/dbraw/zinc/76/62/76/928766276.db2.gz NBGFGPYCKQNHJD-LBPRGKRZSA-N 1 1 311.386 -1.008 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001441136225 928767300 /nfs/dbraw/zinc/76/73/00/928767300.db2.gz PWJYGHFFUGBIFA-SNVBAGLBSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001441116547 928767532 /nfs/dbraw/zinc/76/75/32/928767532.db2.gz QSQPFIGCALFUBC-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001441116547 928767540 /nfs/dbraw/zinc/76/75/40/928767540.db2.gz QSQPFIGCALFUBC-BDAKNGLRSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001441127785 928768052 /nfs/dbraw/zinc/76/80/52/928768052.db2.gz FNRYFDDYCDHISG-WDEREUQCSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001441127785 928768060 /nfs/dbraw/zinc/76/80/60/928768060.db2.gz FNRYFDDYCDHISG-WDEREUQCSA-N 1 1 319.365 -1.124 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001441138233 928768350 /nfs/dbraw/zinc/76/83/50/928768350.db2.gz TXEWJIWNUOEHPB-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001441116548 928768740 /nfs/dbraw/zinc/76/87/40/928768740.db2.gz QSQPFIGCALFUBC-IUCAKERBSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001441116548 928768752 /nfs/dbraw/zinc/76/87/52/928768752.db2.gz QSQPFIGCALFUBC-IUCAKERBSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001441136219 928768789 /nfs/dbraw/zinc/76/87/89/928768789.db2.gz PWJYGHFFUGBIFA-JTQLQIEISA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001441161630 928770141 /nfs/dbraw/zinc/77/01/41/928770141.db2.gz BZUFUMCPCIBPCB-ZYHUDNBSSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001441161624 928771361 /nfs/dbraw/zinc/77/13/61/928771361.db2.gz BZUFUMCPCIBPCB-JQWIXIFHSA-N 1 1 323.397 -2.257 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001441163015 928771382 /nfs/dbraw/zinc/77/13/82/928771382.db2.gz CKKWQOJIQZTINR-VHSXEESVSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC001441163013 928771459 /nfs/dbraw/zinc/77/14/59/928771459.db2.gz CKKWQOJIQZTINR-NXEZZACHSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H](NC(=O)Cn1cccn1)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001441139866 928771503 /nfs/dbraw/zinc/77/15/03/928771503.db2.gz PXQIDDWGOMPWPR-NXEZZACHSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]([NH2+]Cc1ncnn1C)C1CC1 ZINC001441196176 928773525 /nfs/dbraw/zinc/77/35/25/928773525.db2.gz AQAVVAOVBQXCRD-WCBMZHEXSA-N 1 1 309.374 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001441177766 928773647 /nfs/dbraw/zinc/77/36/47/928773647.db2.gz LLORDGDXFXLRGB-GFCCVEGCSA-N 1 1 323.401 -1.473 20 0 DAADMO C[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001441196110 928773662 /nfs/dbraw/zinc/77/36/62/928773662.db2.gz GZQNEBYIHMYWEG-RKDXNWHRSA-N 1 1 320.415 -1.812 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441190779 928774126 /nfs/dbraw/zinc/77/41/26/928774126.db2.gz HJRBSZKQGPOOCD-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001441231510 928775071 /nfs/dbraw/zinc/77/50/71/928775071.db2.gz TVQJNSTWLIIHKM-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001441231510 928775082 /nfs/dbraw/zinc/77/50/82/928775082.db2.gz TVQJNSTWLIIHKM-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001441293659 928777001 /nfs/dbraw/zinc/77/70/01/928777001.db2.gz LNINUSMHSHVQPZ-WISYIIOYSA-N 1 1 321.385 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001441285533 928777185 /nfs/dbraw/zinc/77/71/85/928777185.db2.gz XNWOVOGNQJPOTP-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001441283363 928778240 /nfs/dbraw/zinc/77/82/40/928778240.db2.gz QIBJNVUKLXAVQU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441298788 928779292 /nfs/dbraw/zinc/77/92/92/928779292.db2.gz LJPACXIUOAJYDM-WISYIIOYSA-N 1 1 308.382 -1.305 20 0 DAADMO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001441302602 928780035 /nfs/dbraw/zinc/78/00/35/928780035.db2.gz SLQXUWZGZDWMEL-RTCCRHLQSA-N 1 1 304.416 -1.256 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001441302847 928780235 /nfs/dbraw/zinc/78/02/35/928780235.db2.gz SZQHZEDYGCAXOK-RTCCRHLQSA-N 1 1 321.385 -1.358 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001441316258 928780370 /nfs/dbraw/zinc/78/03/70/928780370.db2.gz UTFHJIOYCUVDMY-XYYAHUGASA-N 1 1 313.398 -1.232 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441319625 928782394 /nfs/dbraw/zinc/78/23/94/928782394.db2.gz KVPOCEZNYLKGDJ-SYQHCUMBSA-N 1 1 324.425 -1.266 20 0 DAADMO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C(=O)C1CC1 ZINC001441320878 928782825 /nfs/dbraw/zinc/78/28/25/928782825.db2.gz ZYXHTFGXHXESTP-CNDDSTCGSA-N 1 1 308.382 -1.366 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001441336300 928783077 /nfs/dbraw/zinc/78/30/77/928783077.db2.gz SYSOIPDVEGNYOO-CMPLNLGQSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001441336300 928783087 /nfs/dbraw/zinc/78/30/87/928783087.db2.gz SYSOIPDVEGNYOO-CMPLNLGQSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001441336307 928783121 /nfs/dbraw/zinc/78/31/21/928783121.db2.gz SYSOIPDVEGNYOO-ZYHUDNBSSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001441336307 928783126 /nfs/dbraw/zinc/78/31/26/928783126.db2.gz SYSOIPDVEGNYOO-ZYHUDNBSSA-N 1 1 324.385 -1.311 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001441360856 928784002 /nfs/dbraw/zinc/78/40/02/928784002.db2.gz NSPHOQWGPBZSQM-VIFPVBQESA-N 1 1 316.387 -1.945 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001441413623 928786571 /nfs/dbraw/zinc/78/65/71/928786571.db2.gz FGNYGAWCFROVMH-SRVKXCTJSA-N 1 1 319.369 -1.158 20 0 DAADMO CNC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001441455057 928788637 /nfs/dbraw/zinc/78/86/37/928788637.db2.gz QADOYTHHBWCBJH-YATPEIPISA-N 1 1 323.397 -1.085 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441448196 928788840 /nfs/dbraw/zinc/78/88/40/928788840.db2.gz QFFOWRPIGSBBLY-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001441448211 928789173 /nfs/dbraw/zinc/78/91/73/928789173.db2.gz SOXMLJVXCKFXHQ-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001441498015 928791098 /nfs/dbraw/zinc/79/10/98/928791098.db2.gz OQYPSDYDTOBNBB-DTORHVGOSA-N 1 1 316.387 -1.618 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)NC1CCOCC1 ZINC001441493969 928791573 /nfs/dbraw/zinc/79/15/73/928791573.db2.gz HBJIROKVDNGBHL-PHIMTYICSA-N 1 1 322.369 -1.050 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2ncnn2)nn1 ZINC001441534350 928794912 /nfs/dbraw/zinc/79/49/12/928794912.db2.gz UJURMCNDOQSLCA-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCCC2)C1)C(=O)NC(N)=O ZINC001441533458 928795153 /nfs/dbraw/zinc/79/51/53/928795153.db2.gz MGUWJFNIALJXSE-MXWKQRLJSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001441570697 928797343 /nfs/dbraw/zinc/79/73/43/928797343.db2.gz LSLKJGWTILLPOS-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001441572559 928798516 /nfs/dbraw/zinc/79/85/16/928798516.db2.gz MOGWRLRGDQKMRT-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001441590367 928800464 /nfs/dbraw/zinc/80/04/64/928800464.db2.gz PIJUGIVIJSPEMH-VHSXEESVSA-N 1 1 324.389 -1.405 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001441578909 928801711 /nfs/dbraw/zinc/80/17/11/928801711.db2.gz ZKCDXUYPQDFVKY-QWRGUYRKSA-N 1 1 311.386 -1.239 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001441646678 928802434 /nfs/dbraw/zinc/80/24/34/928802434.db2.gz LPPWNBDLCWRSTB-SSDOTTSWSA-N 1 1 303.344 -1.810 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001441638527 928803936 /nfs/dbraw/zinc/80/39/36/928803936.db2.gz AHWBDWCJENQZFN-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CNC(=O)C1CC1 ZINC001441665279 928805321 /nfs/dbraw/zinc/80/53/21/928805321.db2.gz KUZUEPMDJXCXOT-NSHDSACASA-N 1 1 309.370 -1.487 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)ncn1 ZINC001441666132 928805769 /nfs/dbraw/zinc/80/57/69/928805769.db2.gz BOYXYJVPOHQINZ-STQMWFEESA-N 1 1 310.354 -1.233 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001441660800 928807180 /nfs/dbraw/zinc/80/71/80/928807180.db2.gz CBIWCGSOPPJAGI-NSHDSACASA-N 1 1 308.346 -1.844 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)cn1 ZINC001441665175 928807377 /nfs/dbraw/zinc/80/73/77/928807377.db2.gz AVHQJKOVXDPNBM-LLVKDONJSA-N 1 1 319.358 -1.168 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)ncn1 ZINC001441680094 928811685 /nfs/dbraw/zinc/81/16/85/928811685.db2.gz BZKATLBRKKEOTP-YPMHNXCESA-N 1 1 321.381 -1.122 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441679488 928812750 /nfs/dbraw/zinc/81/27/50/928812750.db2.gz YFOIXWMOOIRBTI-ZJUUUORDSA-N 1 1 316.358 -2.954 20 0 DAADMO Nc1nccnc1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001441676413 928812763 /nfs/dbraw/zinc/81/27/63/928812763.db2.gz CBHZUUZKFMRGRW-SSDOTTSWSA-N 1 1 309.355 -1.209 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)Cn2cccn2)n1 ZINC001441686929 928814482 /nfs/dbraw/zinc/81/44/82/928814482.db2.gz XXBFDMDEBNSZLA-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441682651 928814533 /nfs/dbraw/zinc/81/45/33/928814533.db2.gz RLHYDMBZGSZNKI-GHMZBOCLSA-N 1 1 307.354 -1.370 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001441686736 928815488 /nfs/dbraw/zinc/81/54/88/928815488.db2.gz UARXGYPWTQNTRS-APLZJWDSSA-N 1 1 312.370 -1.088 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001441686736 928815501 /nfs/dbraw/zinc/81/55/01/928815501.db2.gz UARXGYPWTQNTRS-APLZJWDSSA-N 1 1 312.370 -1.088 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001441696325 928816567 /nfs/dbraw/zinc/81/65/67/928816567.db2.gz JTXYEGONVFUZSM-JYKNGBAOSA-N 1 1 314.382 -1.154 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)ncn1 ZINC001441694369 928818130 /nfs/dbraw/zinc/81/81/30/928818130.db2.gz HSGONFKKNSQTBC-QWRGUYRKSA-N 1 1 309.326 -1.540 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001441698767 928819717 /nfs/dbraw/zinc/81/97/17/928819717.db2.gz QAAAFOUAEHXPED-SNVBAGLBSA-N 1 1 323.357 -1.201 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)nn1C ZINC001441698781 928820520 /nfs/dbraw/zinc/82/05/20/928820520.db2.gz QGJOMBSALPXGEV-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CO[C@H]1CCOC1 ZINC001441701236 928822609 /nfs/dbraw/zinc/82/26/09/928822609.db2.gz XXRGIJKOIQUHQG-JQWIXIFHSA-N 1 1 313.358 -1.813 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441704527 928825844 /nfs/dbraw/zinc/82/58/44/928825844.db2.gz CKNKXAAQANFWKL-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441704527 928825851 /nfs/dbraw/zinc/82/58/51/928825851.db2.gz CKNKXAAQANFWKL-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C2CC2)n[nH]1 ZINC001441704683 928826939 /nfs/dbraw/zinc/82/69/39/928826939.db2.gz OTWSCLUWBMWRTR-SNVBAGLBSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)[nH]1 ZINC001441706656 928828710 /nfs/dbraw/zinc/82/87/10/928828710.db2.gz UIIWGCVHQSZYCQ-SECBINFHSA-N 1 1 308.346 -1.949 20 0 DAADMO Cn1ncc(CN[C@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001441708501 928829388 /nfs/dbraw/zinc/82/93/88/928829388.db2.gz FYTOVEQJZBLRER-QWHCGFSZSA-N 1 1 310.402 -1.134 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001441709053 928829677 /nfs/dbraw/zinc/82/96/77/928829677.db2.gz KYSZMBXARRUJKJ-CYBMUJFWSA-N 1 1 322.365 -1.493 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001441709459 928831035 /nfs/dbraw/zinc/83/10/35/928831035.db2.gz SKVUFKZRDNOWTJ-WDEREUQCSA-N 1 1 324.385 -1.158 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441709811 928831468 /nfs/dbraw/zinc/83/14/68/928831468.db2.gz HGPHPBYOWHXASH-NEPJUHHUSA-N 1 1 312.414 -1.197 20 0 DAADMO CN1CC[C@H](N[C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001441709913 928831498 /nfs/dbraw/zinc/83/14/98/928831498.db2.gz LSSSRORFVMJLPJ-NEPJUHHUSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1nc(C)cs1 ZINC001441709532 928831698 /nfs/dbraw/zinc/83/16/98/928831698.db2.gz SZKFXZBEPQYZQR-VIFPVBQESA-N 1 1 315.399 -1.053 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001441709857 928831849 /nfs/dbraw/zinc/83/18/49/928831849.db2.gz LPQPWNWKUMAUOK-MNOVXSKESA-N 1 1 309.370 -1.487 20 0 DAADMO Cc1cc(C)n(CC[NH2+][C@@H](CO)CNC(=O)c2cnn[nH]2)n1 ZINC001441710591 928832557 /nfs/dbraw/zinc/83/25/57/928832557.db2.gz JKFNXLSXLIGGIB-LLVKDONJSA-N 1 1 307.358 -1.001 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001441714447 928836094 /nfs/dbraw/zinc/83/60/94/928836094.db2.gz FYEXFTIVMWHFMF-DGCLKSJQSA-N 1 1 323.397 -1.004 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001441728282 928843107 /nfs/dbraw/zinc/84/31/07/928843107.db2.gz GEXOOJDDBSWMTC-QMMMGPOBSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001441728281 928844028 /nfs/dbraw/zinc/84/40/28/928844028.db2.gz GEXOOJDDBSWMTC-MRVPVSSYSA-N 1 1 309.330 -1.865 20 0 DAADMO CCCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001441728251 928844388 /nfs/dbraw/zinc/84/43/88/928844388.db2.gz FRIPLLZPTKGDQB-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CCOC1 ZINC001441743540 928848577 /nfs/dbraw/zinc/84/85/77/928848577.db2.gz SJRFDOLBUSUOOA-ZWNOBZJWSA-N 1 1 315.349 -1.007 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CCOC1 ZINC001441743537 928850037 /nfs/dbraw/zinc/85/00/37/928850037.db2.gz SJRFDOLBUSUOOA-MFKMUULPSA-N 1 1 315.349 -1.007 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441751610 928851213 /nfs/dbraw/zinc/85/12/13/928851213.db2.gz UTMITTDTFPFOMU-CYBMUJFWSA-N 1 1 314.430 -1.127 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001441755794 928852283 /nfs/dbraw/zinc/85/22/83/928852283.db2.gz SGYYSDMFFOUYMZ-VXGBXAGGSA-N 1 1 311.386 -1.099 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001441759037 928854653 /nfs/dbraw/zinc/85/46/53/928854653.db2.gz LUXFRTPLYRDDHM-DTWKUNHWSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001441759037 928854661 /nfs/dbraw/zinc/85/46/61/928854661.db2.gz LUXFRTPLYRDDHM-DTWKUNHWSA-N 1 1 306.330 -1.736 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2C)n1 ZINC001441763056 928857389 /nfs/dbraw/zinc/85/73/89/928857389.db2.gz ARLADFQVOIJKKI-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)c2ncn[nH]2)n1 ZINC001441769069 928857667 /nfs/dbraw/zinc/85/76/67/928857667.db2.gz VHKWCTUHBXZXNL-JTQLQIEISA-N 1 1 308.346 -1.606 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@H](CO)CNC(=O)c2nc[nH]n2)n1 ZINC001441769069 928857681 /nfs/dbraw/zinc/85/76/81/928857681.db2.gz VHKWCTUHBXZXNL-JTQLQIEISA-N 1 1 308.346 -1.606 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cccnn1 ZINC001441773918 928861556 /nfs/dbraw/zinc/86/15/56/928861556.db2.gz ZTBCPKMOZPKOBB-JTQLQIEISA-N 1 1 305.342 -1.032 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001441781943 928862357 /nfs/dbraw/zinc/86/23/57/928862357.db2.gz QCHYZCDJAJJKRP-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001441781943 928862362 /nfs/dbraw/zinc/86/23/62/928862362.db2.gz QCHYZCDJAJJKRP-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001441783559 928863987 /nfs/dbraw/zinc/86/39/87/928863987.db2.gz UMERDBKPTRIVHA-IUCAKERBSA-N 1 1 313.383 -1.308 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001441777692 928864449 /nfs/dbraw/zinc/86/44/49/928864449.db2.gz OSTSNQINTNNHDL-ZJUUUORDSA-N 1 1 321.399 -2.247 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001441783558 928864590 /nfs/dbraw/zinc/86/45/90/928864590.db2.gz UMERDBKPTRIVHA-BDAKNGLRSA-N 1 1 313.383 -1.308 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001441786178 928866284 /nfs/dbraw/zinc/86/62/84/928866284.db2.gz JZRDBJSMIYVPJL-WCQYABFASA-N 1 1 324.425 -1.184 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001441784779 928866804 /nfs/dbraw/zinc/86/68/04/928866804.db2.gz JZRDBJSMIYVPJL-AAEUAGOBSA-N 1 1 324.425 -1.184 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001441802413 928868431 /nfs/dbraw/zinc/86/84/31/928868431.db2.gz DGUOMDSQPQTKKP-NEPJUHHUSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001441802413 928868441 /nfs/dbraw/zinc/86/84/41/928868441.db2.gz DGUOMDSQPQTKKP-NEPJUHHUSA-N 1 1 313.358 -1.643 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001441799947 928870098 /nfs/dbraw/zinc/87/00/98/928870098.db2.gz RKHZACBDFPUFDM-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001441827706 928872152 /nfs/dbraw/zinc/87/21/52/928872152.db2.gz OMSZDNHSQFVYHX-NWDGAFQWSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001441827706 928872159 /nfs/dbraw/zinc/87/21/59/928872159.db2.gz OMSZDNHSQFVYHX-NWDGAFQWSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001441827701 928872505 /nfs/dbraw/zinc/87/25/05/928872505.db2.gz OMSZDNHSQFVYHX-NEPJUHHUSA-N 1 1 300.403 -1.328 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001441827701 928872512 /nfs/dbraw/zinc/87/25/12/928872512.db2.gz OMSZDNHSQFVYHX-NEPJUHHUSA-N 1 1 300.403 -1.328 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001441849732 928874631 /nfs/dbraw/zinc/87/46/31/928874631.db2.gz MZCJESIRHYYVNK-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1CCF ZINC001441832068 928874952 /nfs/dbraw/zinc/87/49/52/928874952.db2.gz VBYQUAKCWHAKRN-VIFPVBQESA-N 1 1 311.325 -1.471 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ncnn2C)nn1 ZINC001441842754 928876026 /nfs/dbraw/zinc/87/60/26/928876026.db2.gz DZABCZXAASUFPS-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CCO ZINC001441877180 928878250 /nfs/dbraw/zinc/87/82/50/928878250.db2.gz DAKSPAFYISZQIR-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001441879836 928878625 /nfs/dbraw/zinc/87/86/25/928878625.db2.gz FQORFECDMDNYHI-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001441879836 928878635 /nfs/dbraw/zinc/87/86/35/928878635.db2.gz FQORFECDMDNYHI-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001441863877 928878758 /nfs/dbraw/zinc/87/87/58/928878758.db2.gz YCEGBVPWSHHJCE-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001441909407 928879644 /nfs/dbraw/zinc/87/96/44/928879644.db2.gz BFKRQCLMWHJTSV-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cnn(C)n1 ZINC001441915485 928880079 /nfs/dbraw/zinc/88/00/79/928880079.db2.gz HLKDHXTZZYMCFU-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001441913185 928880246 /nfs/dbraw/zinc/88/02/46/928880246.db2.gz HNFQLQUEWXJSNJ-UWVGGRQHSA-N 1 1 323.401 -1.300 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cn(C)nn1 ZINC001441907393 928881548 /nfs/dbraw/zinc/88/15/48/928881548.db2.gz XYXZIHCOXHYOIG-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnccn1 ZINC001441946423 928886087 /nfs/dbraw/zinc/88/60/87/928886087.db2.gz FDRAHQDPLJYCBN-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnn(C)c1 ZINC001441950100 928887260 /nfs/dbraw/zinc/88/72/60/928887260.db2.gz GVKUBSKSJHGJBX-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C1=COCCO1 ZINC001441960074 928889550 /nfs/dbraw/zinc/88/95/50/928889550.db2.gz VMYDITMGEIRBSI-LLVKDONJSA-N 1 1 311.342 -1.388 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001441969519 928890857 /nfs/dbraw/zinc/89/08/57/928890857.db2.gz FCVGHWFJMQDXFW-VIFPVBQESA-N 1 1 309.334 -2.291 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccn(C)c1 ZINC001441969520 928892281 /nfs/dbraw/zinc/89/22/81/928892281.db2.gz GJXGOYYBHVUESX-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnn(C)c1 ZINC001441972827 928894626 /nfs/dbraw/zinc/89/46/26/928894626.db2.gz UTSLJFKBNCCPPG-LLVKDONJSA-N 1 1 322.373 -1.905 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1)c1ncccn1 ZINC001441980453 928896723 /nfs/dbraw/zinc/89/67/23/928896723.db2.gz WNWJSVRODBMQNT-GHMZBOCLSA-N 1 1 320.357 -1.367 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1cnc[nH]1 ZINC001441983262 928897693 /nfs/dbraw/zinc/89/76/93/928897693.db2.gz JWEYJOFZPQTUIV-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)c1c[nH]cc2ncnc1-2 ZINC001441985174 928898069 /nfs/dbraw/zinc/89/80/69/928898069.db2.gz KWXSJBGFJHIXLH-QMMMGPOBSA-N 1 1 306.326 -1.534 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001441979852 928898318 /nfs/dbraw/zinc/89/83/18/928898318.db2.gz ZEVITTDXYZGNAV-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnc[nH]c1=O ZINC001441977514 928898490 /nfs/dbraw/zinc/89/84/90/928898490.db2.gz GHQBIRYVVNGFRS-VIFPVBQESA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn[nH]c(=O)c1 ZINC001441990451 928899455 /nfs/dbraw/zinc/89/94/55/928899455.db2.gz VZQVDKCFXJTUDR-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1c[nH]c(=O)cn1 ZINC001441985906 928899474 /nfs/dbraw/zinc/89/94/74/928899474.db2.gz GVIAMYUUDKAQQN-JTQLQIEISA-N 1 1 321.341 -1.879 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001441993131 928899758 /nfs/dbraw/zinc/89/97/58/928899758.db2.gz LFKDUOMNGFSUNP-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001441999605 928902196 /nfs/dbraw/zinc/90/21/96/928902196.db2.gz PWJIMJRBVIMCJK-PWSUYJOCSA-N 1 1 314.390 -1.210 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)nc1 ZINC001441996916 928902871 /nfs/dbraw/zinc/90/28/71/928902871.db2.gz OHGMKPXRZSPPQM-GHMZBOCLSA-N 1 1 323.353 -1.198 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2COC(=O)N2)nc1 ZINC001441998278 928903103 /nfs/dbraw/zinc/90/31/03/928903103.db2.gz OHGMKPXRZSPPQM-WDEREUQCSA-N 1 1 323.353 -1.198 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001441995041 928903495 /nfs/dbraw/zinc/90/34/95/928903495.db2.gz NXRKQPFCIBFMBB-NDBYEHHHSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001442002271 928904188 /nfs/dbraw/zinc/90/41/88/928904188.db2.gz YAMIJSSKVASTLQ-RKDXNWHRSA-N 1 1 311.346 -2.595 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001442019174 928906925 /nfs/dbraw/zinc/90/69/25/928906925.db2.gz UWKUJGYRUBEZOA-GHMZBOCLSA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[nH]n1)c1nnnn1C ZINC001442017113 928907151 /nfs/dbraw/zinc/90/71/51/928907151.db2.gz FPZJSQAXNDZJOL-JGVFFNPUSA-N 1 1 309.334 -1.888 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001442016404 928907454 /nfs/dbraw/zinc/90/74/54/928907454.db2.gz PAXSDVQYMRMZFU-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001442017151 928907815 /nfs/dbraw/zinc/90/78/15/928907815.db2.gz FRZMNUNNAWOLII-VIFPVBQESA-N 1 1 309.330 -1.096 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ncccn1 ZINC001442014258 928908648 /nfs/dbraw/zinc/90/86/48/928908648.db2.gz AAHYJMVRRALOSL-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ncccn1 ZINC001442014254 928908773 /nfs/dbraw/zinc/90/87/73/928908773.db2.gz AAHYJMVRRALOSL-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001442044439 928912781 /nfs/dbraw/zinc/91/27/81/928912781.db2.gz CBUDNRYZDJKCLS-NEPJUHHUSA-N 1 1 301.387 -1.402 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001442054895 928915578 /nfs/dbraw/zinc/91/55/78/928915578.db2.gz MKRAZFJDERIMNV-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001442054895 928915589 /nfs/dbraw/zinc/91/55/89/928915589.db2.gz MKRAZFJDERIMNV-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001442047093 928915626 /nfs/dbraw/zinc/91/56/26/928915626.db2.gz LXRRAEIWTBPEDP-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001442052677 928915832 /nfs/dbraw/zinc/91/58/32/928915832.db2.gz PFRPIQWFFYHOKY-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc2n1CCC2 ZINC001442052677 928915840 /nfs/dbraw/zinc/91/58/40/928915840.db2.gz PFRPIQWFFYHOKY-LLVKDONJSA-N 1 1 323.397 -1.060 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001442047299 928916642 /nfs/dbraw/zinc/91/66/42/928916642.db2.gz HYBXHFUFYSADJL-SECBINFHSA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001442047299 928916646 /nfs/dbraw/zinc/91/66/46/928916646.db2.gz HYBXHFUFYSADJL-SECBINFHSA-N 1 1 324.403 -2.886 20 0 DAADMO CCn1cnc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001442047121 928916801 /nfs/dbraw/zinc/91/68/01/928916801.db2.gz USLCZZZVLKIIRL-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccncn1 ZINC001442055108 928916901 /nfs/dbraw/zinc/91/69/01/928916901.db2.gz SVAGBSHVUSGPMZ-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccncn1 ZINC001442055108 928916911 /nfs/dbraw/zinc/91/69/11/928916911.db2.gz SVAGBSHVUSGPMZ-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001442054098 928918263 /nfs/dbraw/zinc/91/82/63/928918263.db2.gz ZRNOXPVGZVQSHP-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001442054098 928918275 /nfs/dbraw/zinc/91/82/75/928918275.db2.gz ZRNOXPVGZVQSHP-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001442058379 928919116 /nfs/dbraw/zinc/91/91/16/928919116.db2.gz ZIEFNGKMCCUSSJ-NEPJUHHUSA-N 1 1 301.387 -1.354 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)c1 ZINC001442057583 928919593 /nfs/dbraw/zinc/91/95/93/928919593.db2.gz PQMZHOBKFCYMAS-RYUDHWBXSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)c1 ZINC001442057583 928919604 /nfs/dbraw/zinc/91/96/04/928919604.db2.gz PQMZHOBKFCYMAS-RYUDHWBXSA-N 1 1 311.386 -1.184 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064921 928919819 /nfs/dbraw/zinc/91/98/19/928919819.db2.gz QERLRZJUJPEDGY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064921 928919828 /nfs/dbraw/zinc/91/98/28/928919828.db2.gz QERLRZJUJPEDGY-MNOVXSKESA-N 1 1 311.386 -1.081 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC001442062639 928919884 /nfs/dbraw/zinc/91/98/84/928919884.db2.gz YFIARUJWHRMVOI-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC001442062634 928919984 /nfs/dbraw/zinc/91/99/84/928919984.db2.gz YFIARUJWHRMVOI-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1ncnn1 ZINC001442059484 928920738 /nfs/dbraw/zinc/92/07/38/928920738.db2.gz RTZOLLUOQKVBHR-GFCCVEGCSA-N 1 1 322.373 -1.679 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001442063432 928920804 /nfs/dbraw/zinc/92/08/04/928920804.db2.gz YMHOIDRDQJOFJA-GHMZBOCLSA-N 1 1 300.359 -1.218 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001442056421 928921186 /nfs/dbraw/zinc/92/11/86/928921186.db2.gz OXPGPUCFHQZEKR-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001442081461 928922119 /nfs/dbraw/zinc/92/21/19/928922119.db2.gz GMHZVLPBUVNLIJ-ZJUUUORDSA-N 1 1 300.359 -1.129 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001442077441 928922927 /nfs/dbraw/zinc/92/29/27/928922927.db2.gz CZLMBERNYCMQQR-QJPTWQEYSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001442077441 928922937 /nfs/dbraw/zinc/92/29/37/928922937.db2.gz CZLMBERNYCMQQR-QJPTWQEYSA-N 1 1 323.397 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001442081456 928923177 /nfs/dbraw/zinc/92/31/77/928923177.db2.gz MWTOFOYNMVAYPM-ZJUUUORDSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001442081456 928923185 /nfs/dbraw/zinc/92/31/85/928923185.db2.gz MWTOFOYNMVAYPM-ZJUUUORDSA-N 1 1 324.385 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001442076678 928923488 /nfs/dbraw/zinc/92/34/88/928923488.db2.gz XBGIZBWSSZGSRN-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442092703 928925320 /nfs/dbraw/zinc/92/53/20/928925320.db2.gz KAPZIFWNJJOWEY-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001442088397 928925855 /nfs/dbraw/zinc/92/58/55/928925855.db2.gz DEWFJWWJLDXWEB-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088984 928926485 /nfs/dbraw/zinc/92/64/85/928926485.db2.gz UPOAMZPQXIQHAB-DTWKUNHWSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088984 928926487 /nfs/dbraw/zinc/92/64/87/928926487.db2.gz UPOAMZPQXIQHAB-DTWKUNHWSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442089008 928926913 /nfs/dbraw/zinc/92/69/13/928926913.db2.gz UPOAMZPQXIQHAB-RKDXNWHRSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442089008 928926923 /nfs/dbraw/zinc/92/69/23/928926923.db2.gz UPOAMZPQXIQHAB-RKDXNWHRSA-N 1 1 313.362 -2.291 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCc2nncn2C1 ZINC001442086852 928927118 /nfs/dbraw/zinc/92/71/18/928927118.db2.gz BHMQILHCDOXBOL-RYUDHWBXSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442085982 928927545 /nfs/dbraw/zinc/92/75/45/928927545.db2.gz ADNSNALFWIBTPE-LBPRGKRZSA-N 1 1 324.381 -1.655 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001442085982 928927552 /nfs/dbraw/zinc/92/75/52/928927552.db2.gz ADNSNALFWIBTPE-LBPRGKRZSA-N 1 1 324.381 -1.655 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCCC(=O)N1C ZINC001442093542 928927797 /nfs/dbraw/zinc/92/77/97/928927797.db2.gz LWTQMFZWQFJZSA-NWDGAFQWSA-N 1 1 301.387 -1.259 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001442086775 928927873 /nfs/dbraw/zinc/92/78/73/928927873.db2.gz BFPARFZLZURNRV-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001442086775 928927885 /nfs/dbraw/zinc/92/78/85/928927885.db2.gz BFPARFZLZURNRV-LLVKDONJSA-N 1 1 312.374 -1.835 20 0 DAADMO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001442095402 928928169 /nfs/dbraw/zinc/92/81/69/928928169.db2.gz OSGYZBOIFAUXQW-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001442095402 928928180 /nfs/dbraw/zinc/92/81/80/928928180.db2.gz OSGYZBOIFAUXQW-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098871 928930829 /nfs/dbraw/zinc/93/08/29/928930829.db2.gz UDDJTZVSOXFZGW-ZJUUUORDSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098871 928930835 /nfs/dbraw/zinc/93/08/35/928930835.db2.gz UDDJTZVSOXFZGW-ZJUUUORDSA-N 1 1 310.358 -1.600 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001442222243 928934169 /nfs/dbraw/zinc/93/41/69/928934169.db2.gz YXEKABHBWWSOIS-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001442207274 928934580 /nfs/dbraw/zinc/93/45/80/928934580.db2.gz COEVSFRMQWYEOV-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001442207274 928934588 /nfs/dbraw/zinc/93/45/88/928934588.db2.gz COEVSFRMQWYEOV-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001442192502 928934753 /nfs/dbraw/zinc/93/47/53/928934753.db2.gz OTHRUXNJCVEROP-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001442222240 928935822 /nfs/dbraw/zinc/93/58/22/928935822.db2.gz YXEKABHBWWSOIS-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001442239601 928937235 /nfs/dbraw/zinc/93/72/35/928937235.db2.gz DATRKFHINWTGAK-XNWIYYODSA-N 1 1 309.374 -1.199 20 0 DAADMO CCC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001442233516 928937719 /nfs/dbraw/zinc/93/77/19/928937719.db2.gz RQUWSZZNSKKRQR-UHFFFAOYSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001442350534 928939162 /nfs/dbraw/zinc/93/91/62/928939162.db2.gz YCKLCRGJOHMVSB-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001442350534 928939169 /nfs/dbraw/zinc/93/91/69/928939169.db2.gz YCKLCRGJOHMVSB-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@H]1CCNC(=O)CC1 ZINC001442351162 928940197 /nfs/dbraw/zinc/94/01/97/928940197.db2.gz KPHYMDZOJLUYLZ-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO C[N@@H+](CCNC(=O)CS(C)(=O)=O)C[C@@H]1CCNC(=O)CC1 ZINC001442368310 928940566 /nfs/dbraw/zinc/94/05/66/928940566.db2.gz AIAPXXNXUCSTMN-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001442406267 928941502 /nfs/dbraw/zinc/94/15/02/928941502.db2.gz CENJVIYLWMJVGZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001442406267 928941510 /nfs/dbraw/zinc/94/15/10/928941510.db2.gz CENJVIYLWMJVGZ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCS1(=O)=O)[C@@H]1CCNC1=O ZINC001442407459 928942857 /nfs/dbraw/zinc/94/28/57/928942857.db2.gz DMTNIMGTZFRFEF-SNVBAGLBSA-N 1 1 318.399 -2.042 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)[C@@H]1CCNC1=O ZINC001442407459 928942866 /nfs/dbraw/zinc/94/28/66/928942866.db2.gz DMTNIMGTZFRFEF-SNVBAGLBSA-N 1 1 318.399 -2.042 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)c1 ZINC001442370202 928942916 /nfs/dbraw/zinc/94/29/16/928942916.db2.gz SDQBNYRZRKAKJU-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1cnn(CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)c1 ZINC001442370202 928942924 /nfs/dbraw/zinc/94/29/24/928942924.db2.gz SDQBNYRZRKAKJU-SNVBAGLBSA-N 1 1 310.358 -1.177 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001442403569 928943465 /nfs/dbraw/zinc/94/34/65/928943465.db2.gz FXGFYSXEDSJHPT-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccn(C)n1 ZINC001442403569 928943474 /nfs/dbraw/zinc/94/34/74/928943474.db2.gz FXGFYSXEDSJHPT-JTQLQIEISA-N 1 1 324.385 -1.145 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442395579 928943513 /nfs/dbraw/zinc/94/35/13/928943513.db2.gz XTSBMDPAUYFMFV-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442395579 928943518 /nfs/dbraw/zinc/94/35/18/928943518.db2.gz XTSBMDPAUYFMFV-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442384329 928944405 /nfs/dbraw/zinc/94/44/05/928944405.db2.gz VMGJVQMGXXOHCU-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001442384329 928944414 /nfs/dbraw/zinc/94/44/14/928944414.db2.gz VMGJVQMGXXOHCU-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2ccncc12)CC(=O)NC(N)=O ZINC001442413136 928945059 /nfs/dbraw/zinc/94/50/59/928945059.db2.gz LIBSMNKNQHZJAE-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2ccncc12)CC(=O)NC(N)=O ZINC001442413136 928945070 /nfs/dbraw/zinc/94/50/70/928945070.db2.gz LIBSMNKNQHZJAE-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO Cn1ccc(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001442411635 928945253 /nfs/dbraw/zinc/94/52/53/928945253.db2.gz PNPMDTBHEVUGGZ-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO Cn1ccc(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001442411635 928945266 /nfs/dbraw/zinc/94/52/66/928945266.db2.gz PNPMDTBHEVUGGZ-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C[C@H]1CCCOC1 ZINC001442415002 928945384 /nfs/dbraw/zinc/94/53/84/928945384.db2.gz SFPBKULMSQFNBS-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCN2CCNC2=O)CC1=O ZINC001442415679 928945709 /nfs/dbraw/zinc/94/57/09/928945709.db2.gz YYMHQMDMLBNWHS-NSHDSACASA-N 1 1 311.386 -1.462 20 0 DAADMO C[N@H+](CCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442438206 928946090 /nfs/dbraw/zinc/94/60/90/928946090.db2.gz WHMJLMIBBLIDDW-ZDUSSCGKSA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442438206 928946099 /nfs/dbraw/zinc/94/60/99/928946099.db2.gz WHMJLMIBBLIDDW-ZDUSSCGKSA-N 1 1 313.358 -1.854 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCN2CCNC2=O)CC1=O ZINC001442415411 928946413 /nfs/dbraw/zinc/94/64/13/928946413.db2.gz YYMHQMDMLBNWHS-LLVKDONJSA-N 1 1 311.386 -1.462 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442484434 928947400 /nfs/dbraw/zinc/94/74/00/928947400.db2.gz GXBXBVDIEHCMME-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001442484434 928947408 /nfs/dbraw/zinc/94/74/08/928947408.db2.gz GXBXBVDIEHCMME-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442464264 928948380 /nfs/dbraw/zinc/94/83/80/928948380.db2.gz KKYOMMHWCGWIEE-VIFPVBQESA-N 1 1 311.342 -1.739 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442464264 928948387 /nfs/dbraw/zinc/94/83/87/928948387.db2.gz KKYOMMHWCGWIEE-VIFPVBQESA-N 1 1 311.342 -1.739 20 0 DAADMO CCCn1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001442563016 928953055 /nfs/dbraw/zinc/95/30/55/928953055.db2.gz UCOKOKCYKZAGJW-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CCCn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001442563016 928953068 /nfs/dbraw/zinc/95/30/68/928953068.db2.gz UCOKOKCYKZAGJW-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001442561978 928953454 /nfs/dbraw/zinc/95/34/54/928953454.db2.gz RNUBTYWTROSBPV-JTQLQIEISA-N 1 1 324.385 -1.158 20 0 DAADMO C[C@@H](Cc1cnn(C)c1)C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001442561978 928953464 /nfs/dbraw/zinc/95/34/64/928953464.db2.gz RNUBTYWTROSBPV-JTQLQIEISA-N 1 1 324.385 -1.158 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnon1 ZINC001442557385 928954149 /nfs/dbraw/zinc/95/41/49/928954149.db2.gz BTEKDEJNKMSIAF-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnon1 ZINC001442557385 928954161 /nfs/dbraw/zinc/95/41/61/928954161.db2.gz BTEKDEJNKMSIAF-UHFFFAOYSA-N 1 1 312.330 -1.033 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)n1 ZINC001442553973 928954416 /nfs/dbraw/zinc/95/44/16/928954416.db2.gz LBQNJPDBFOZCOO-LLVKDONJSA-N 1 1 307.358 -1.266 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCCC(N)=O ZINC001442611230 928955900 /nfs/dbraw/zinc/95/59/00/928955900.db2.gz NDVPJHOZOFOSOL-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCCC(N)=O ZINC001442611230 928955908 /nfs/dbraw/zinc/95/59/08/928955908.db2.gz NDVPJHOZOFOSOL-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001442587841 928956431 /nfs/dbraw/zinc/95/64/31/928956431.db2.gz MPLKLHMGAOQLJA-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001442587841 928956437 /nfs/dbraw/zinc/95/64/37/928956437.db2.gz MPLKLHMGAOQLJA-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442599624 928956587 /nfs/dbraw/zinc/95/65/87/928956587.db2.gz ADZVKIZVPNHMDE-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442599624 928956591 /nfs/dbraw/zinc/95/65/91/928956591.db2.gz ADZVKIZVPNHMDE-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001442607531 928957464 /nfs/dbraw/zinc/95/74/64/928957464.db2.gz WBBIKUJSVWHMOY-RKDXNWHRSA-N 1 1 304.372 -2.385 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001442607531 928957477 /nfs/dbraw/zinc/95/74/77/928957477.db2.gz WBBIKUJSVWHMOY-RKDXNWHRSA-N 1 1 304.372 -2.385 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442601414 928957540 /nfs/dbraw/zinc/95/75/40/928957540.db2.gz HNLMCWAPXKTVAJ-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001442601414 928957543 /nfs/dbraw/zinc/95/75/43/928957543.db2.gz HNLMCWAPXKTVAJ-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1nnn(C)n1 ZINC001442649595 928958983 /nfs/dbraw/zinc/95/89/83/928958983.db2.gz SRJNVHZXSQSQEN-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1nnn(C)n1 ZINC001442649595 928958993 /nfs/dbraw/zinc/95/89/93/928958993.db2.gz SRJNVHZXSQSQEN-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCNC1=O ZINC001442653957 928959554 /nfs/dbraw/zinc/95/95/54/928959554.db2.gz WDRUEBIBPQOZQH-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)NC)CC(=O)N1CCCC1 ZINC001442684508 928960317 /nfs/dbraw/zinc/96/03/17/928960317.db2.gz VTXOMSWNHHNHOF-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)NC)CC(=O)N1CCCC1 ZINC001442684508 928960328 /nfs/dbraw/zinc/96/03/28/928960328.db2.gz VTXOMSWNHHNHOF-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1=O)[C@@H](C)C(N)=O ZINC001442671296 928960435 /nfs/dbraw/zinc/96/04/35/928960435.db2.gz GQFAJDHTPJZOJC-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@@H](C)C(N)=O ZINC001442671296 928960451 /nfs/dbraw/zinc/96/04/51/928960451.db2.gz GQFAJDHTPJZOJC-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)N(C)C ZINC001442700764 928961838 /nfs/dbraw/zinc/96/18/38/928961838.db2.gz HXMHHYDIRUNZKH-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H](C)C(=O)N(C)C ZINC001442700764 928961847 /nfs/dbraw/zinc/96/18/47/928961847.db2.gz HXMHHYDIRUNZKH-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[C@H](C)O ZINC001442692859 928961873 /nfs/dbraw/zinc/96/18/73/928961873.db2.gz JYMFVPLCOIFCCU-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[C@H](C)O ZINC001442692859 928961885 /nfs/dbraw/zinc/96/18/85/928961885.db2.gz JYMFVPLCOIFCCU-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC1CC1 ZINC001442703120 928962228 /nfs/dbraw/zinc/96/22/28/928962228.db2.gz QHFMZVOUPYMZAF-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC1CC1 ZINC001442703120 928962234 /nfs/dbraw/zinc/96/22/34/928962234.db2.gz QHFMZVOUPYMZAF-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001442675561 928962272 /nfs/dbraw/zinc/96/22/72/928962272.db2.gz MNQVUTYPXNMKOV-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001442675561 928962275 /nfs/dbraw/zinc/96/22/75/928962275.db2.gz MNQVUTYPXNMKOV-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[C@@H](C)O ZINC001442692866 928962288 /nfs/dbraw/zinc/96/22/88/928962288.db2.gz JYMFVPLCOIFCCU-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[C@@H](C)O ZINC001442692866 928962294 /nfs/dbraw/zinc/96/22/94/928962294.db2.gz JYMFVPLCOIFCCU-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC1CC1 ZINC001442703130 928962901 /nfs/dbraw/zinc/96/29/01/928962901.db2.gz QHFMZVOUPYMZAF-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC1CC1 ZINC001442703130 928962915 /nfs/dbraw/zinc/96/29/15/928962915.db2.gz QHFMZVOUPYMZAF-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CC(=O)NC(N)=O ZINC001442716370 928962980 /nfs/dbraw/zinc/96/29/80/928962980.db2.gz JIKPOVDJFUZLFC-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1ccnn1C ZINC001442733331 928963076 /nfs/dbraw/zinc/96/30/76/928963076.db2.gz ZSPVLIPDLPYIIL-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)Cc1ccnn1C ZINC001442733331 928963090 /nfs/dbraw/zinc/96/30/90/928963090.db2.gz ZSPVLIPDLPYIIL-NSHDSACASA-N 1 1 322.369 -1.044 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cnn(C)c1 ZINC001442705961 928963790 /nfs/dbraw/zinc/96/37/90/928963790.db2.gz ZITCNVPNFNGKDW-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1cnn(C)c1 ZINC001442705961 928963796 /nfs/dbraw/zinc/96/37/96/928963796.db2.gz ZITCNVPNFNGKDW-UHFFFAOYSA-N 1 1 322.413 -1.210 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442746302 928965337 /nfs/dbraw/zinc/96/53/37/928965337.db2.gz YYLUHGUQSYXVEW-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001442783383 928965403 /nfs/dbraw/zinc/96/54/03/928965403.db2.gz MBYFFZWHMLYHSI-LBPRGKRZSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccncc1 ZINC001442783383 928965415 /nfs/dbraw/zinc/96/54/15/928965415.db2.gz MBYFFZWHMLYHSI-LBPRGKRZSA-N 1 1 319.365 -1.123 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001442810076 928968975 /nfs/dbraw/zinc/96/89/75/928968975.db2.gz BNKKSXSCQWSDGC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001442810076 928968985 /nfs/dbraw/zinc/96/89/85/928968985.db2.gz BNKKSXSCQWSDGC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442803382 928969014 /nfs/dbraw/zinc/96/90/14/928969014.db2.gz VUJLTBYBOIWCEX-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442803382 928969022 /nfs/dbraw/zinc/96/90/22/928969022.db2.gz VUJLTBYBOIWCEX-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001442825457 928969705 /nfs/dbraw/zinc/96/97/05/928969705.db2.gz WBBGCOZMTDYTGG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001442825457 928969717 /nfs/dbraw/zinc/96/97/17/928969717.db2.gz WBBGCOZMTDYTGG-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2CC[N@@H+](CCF)C2)c1=O ZINC001442852736 928971090 /nfs/dbraw/zinc/97/10/90/928971090.db2.gz CBVAYPTVDPSCFZ-NSHDSACASA-N 1 1 312.345 -1.045 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001442837762 928971283 /nfs/dbraw/zinc/97/12/83/928971283.db2.gz IWOAGBCLHWCUNU-LLVKDONJSA-N 1 1 305.400 -1.395 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001442837762 928971293 /nfs/dbraw/zinc/97/12/93/928971293.db2.gz IWOAGBCLHWCUNU-LLVKDONJSA-N 1 1 305.400 -1.395 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CNC(N)=O ZINC001442853957 928971741 /nfs/dbraw/zinc/97/17/41/928971741.db2.gz RRJWZQHQKBTJRQ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001442843955 928971869 /nfs/dbraw/zinc/97/18/69/928971869.db2.gz ZMJJXUTUMHAEQE-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001442855384 928972046 /nfs/dbraw/zinc/97/20/46/928972046.db2.gz MUHKIZZCISKIIR-MNOVXSKESA-N 1 1 302.375 -1.639 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cccn2)C1 ZINC001442839460 928972274 /nfs/dbraw/zinc/97/22/74/928972274.db2.gz QZYQQDTUHUCOBC-GHMZBOCLSA-N 1 1 322.369 -1.095 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001442858217 928972430 /nfs/dbraw/zinc/97/24/30/928972430.db2.gz UMYZGDFSUNMDGZ-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001442837767 928972641 /nfs/dbraw/zinc/97/26/41/928972641.db2.gz IWOAGBCLHWCUNU-NSHDSACASA-N 1 1 305.400 -1.395 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001442837767 928972652 /nfs/dbraw/zinc/97/26/52/928972652.db2.gz IWOAGBCLHWCUNU-NSHDSACASA-N 1 1 305.400 -1.395 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CNC(=O)OC)C1 ZINC001442850758 928972787 /nfs/dbraw/zinc/97/27/87/928972787.db2.gz GXVFHHUOILJZPY-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001442859148 928973518 /nfs/dbraw/zinc/97/35/18/928973518.db2.gz XIQMSTACEAVIIF-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442860168 928973741 /nfs/dbraw/zinc/97/37/41/928973741.db2.gz GQCGXWGCFNFSHO-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1)C(N)=O ZINC001442882297 928975194 /nfs/dbraw/zinc/97/51/94/928975194.db2.gz MQFKWZXIIUGDTB-RYUDHWBXSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001442863587 928975312 /nfs/dbraw/zinc/97/53/12/928975312.db2.gz NPJFYMOELSAKQD-NSHDSACASA-N 1 1 300.359 -2.331 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442884425 928975667 /nfs/dbraw/zinc/97/56/67/928975667.db2.gz AJCUDOYIAKBGOC-NSHDSACASA-N 1 1 322.369 -1.175 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001442902141 928976955 /nfs/dbraw/zinc/97/69/55/928976955.db2.gz CCFWVVNXKWQRTA-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001442901456 928977045 /nfs/dbraw/zinc/97/70/45/928977045.db2.gz WHQVMGNSZCNSBF-JTQLQIEISA-N 1 1 308.404 -2.187 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001442901569 928977483 /nfs/dbraw/zinc/97/74/83/928977483.db2.gz WHQVMGNSZCNSBF-SNVBAGLBSA-N 1 1 308.404 -2.187 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001442892325 928978531 /nfs/dbraw/zinc/97/85/31/928978531.db2.gz PDVNPAXBCSYXPI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001442905830 928978587 /nfs/dbraw/zinc/97/85/87/928978587.db2.gz JBJHKNXHBADOSF-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001442970257 928979944 /nfs/dbraw/zinc/97/99/44/928979944.db2.gz FWCIEICGOFNTRH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001442970257 928979956 /nfs/dbraw/zinc/97/99/56/928979956.db2.gz FWCIEICGOFNTRH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H]1CCNC1=O ZINC001442960881 928980866 /nfs/dbraw/zinc/98/08/66/928980866.db2.gz XZHTTXMHZYTILL-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001443008390 928984764 /nfs/dbraw/zinc/98/47/64/928984764.db2.gz PTPNHPWHXCQSCV-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001443008390 928984776 /nfs/dbraw/zinc/98/47/76/928984776.db2.gz PTPNHPWHXCQSCV-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CNC(=O)N1CCCC1)C1CC1 ZINC001442995245 928984963 /nfs/dbraw/zinc/98/49/63/928984963.db2.gz MQKQFVDZZXAMPV-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CNC(=O)N1CCCC1)C1CC1 ZINC001442995245 928984972 /nfs/dbraw/zinc/98/49/72/928984972.db2.gz MQKQFVDZZXAMPV-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001443002058 928985602 /nfs/dbraw/zinc/98/56/02/928985602.db2.gz ZOYVADKNYOPSFM-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001443002058 928985610 /nfs/dbraw/zinc/98/56/10/928985610.db2.gz ZOYVADKNYOPSFM-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001443027135 928986796 /nfs/dbraw/zinc/98/67/96/928986796.db2.gz CGXPEZNCHQIGAO-NSHDSACASA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC001443027905 928987811 /nfs/dbraw/zinc/98/78/11/928987811.db2.gz ARBJYOHJUOILFV-SNVBAGLBSA-N 1 1 324.381 -1.341 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CCn2cncn2)C2CC2)n1 ZINC001443035054 928987871 /nfs/dbraw/zinc/98/78/71/928987871.db2.gz YQOQDAROYRXMQS-UHFFFAOYSA-N 1 1 305.346 -1.304 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001443157959 928991929 /nfs/dbraw/zinc/99/19/29/928991929.db2.gz GVDHVMAVIKEZGY-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO CCCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443190216 928993326 /nfs/dbraw/zinc/99/33/26/928993326.db2.gz RMMLILCAMORLMA-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443187263 928993581 /nfs/dbraw/zinc/99/35/81/928993581.db2.gz WTAIOUIGULNVQS-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443187263 928993591 /nfs/dbraw/zinc/99/35/91/928993591.db2.gz WTAIOUIGULNVQS-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001443264824 928996701 /nfs/dbraw/zinc/99/67/01/928996701.db2.gz GLHWXYJVJKTYOX-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001443264824 928996715 /nfs/dbraw/zinc/99/67/15/928996715.db2.gz GLHWXYJVJKTYOX-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001443240223 928996942 /nfs/dbraw/zinc/99/69/42/928996942.db2.gz IAGFYFPVHLPALU-GARJFASQSA-N 1 1 312.370 -1.667 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001443309654 928998102 /nfs/dbraw/zinc/99/81/02/928998102.db2.gz NZCUTPKFRDVNST-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001443315845 928998360 /nfs/dbraw/zinc/99/83/60/928998360.db2.gz NOLVKHHVLHFUJL-LBPRGKRZSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001443329316 928998585 /nfs/dbraw/zinc/99/85/85/928998585.db2.gz PJBCDMIQIYFJKX-PGUXBMHVSA-N 1 1 324.381 -1.002 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)C)C1 ZINC001443321184 928999158 /nfs/dbraw/zinc/99/91/58/928999158.db2.gz IRRVYILJSOGVMW-LLVKDONJSA-N 1 1 313.402 -1.216 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443310148 928999932 /nfs/dbraw/zinc/99/99/32/928999932.db2.gz LIQHOKBYWRMXOB-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001443340287 929000584 /nfs/dbraw/zinc/00/05/84/929000584.db2.gz ZXSRTJBLNVIREP-NEPJUHHUSA-N 1 1 323.401 -1.070 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001443344788 929000719 /nfs/dbraw/zinc/00/07/19/929000719.db2.gz UPCVYDHXISRMDB-MNOVXSKESA-N 1 1 324.385 -1.462 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001443348872 929001730 /nfs/dbraw/zinc/00/17/30/929001730.db2.gz NGXOUIJJCTYQCR-UHFFFAOYSA-N 1 1 323.401 -1.068 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CCNS(C)(=O)=O)C1 ZINC001443457748 929004506 /nfs/dbraw/zinc/00/45/06/929004506.db2.gz GQNKBSCKKBZWOE-LLVKDONJSA-N 1 1 304.416 -1.570 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001443473773 929006137 /nfs/dbraw/zinc/00/61/37/929006137.db2.gz HJMNWGQKUANLRM-JTQLQIEISA-N 1 1 322.431 -1.440 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC001443471423 929007347 /nfs/dbraw/zinc/00/73/47/929007347.db2.gz YSVLVCVNWNNWRY-UHFFFAOYSA-N 1 1 321.447 -1.816 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC001443471423 929007354 /nfs/dbraw/zinc/00/73/54/929007354.db2.gz YSVLVCVNWNNWRY-UHFFFAOYSA-N 1 1 321.447 -1.816 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC001443471423 929007360 /nfs/dbraw/zinc/00/73/60/929007360.db2.gz YSVLVCVNWNNWRY-UHFFFAOYSA-N 1 1 321.447 -1.816 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001443511888 929009861 /nfs/dbraw/zinc/00/98/61/929009861.db2.gz RMTOUDPXPIHSTL-SNVBAGLBSA-N 1 1 308.404 -1.734 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN([C@H]2CCCNC2=O)C1 ZINC001443532515 929011443 /nfs/dbraw/zinc/01/14/43/929011443.db2.gz XBDRIVKFCQTVBE-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCCC1=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001443559029 929014959 /nfs/dbraw/zinc/01/49/59/929014959.db2.gz UYVYLYGXSQQRPG-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001443578306 929017025 /nfs/dbraw/zinc/01/70/25/929017025.db2.gz JBTRIWQISIGYOU-VHSXEESVSA-N 1 1 313.402 -1.042 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001443623772 929018915 /nfs/dbraw/zinc/01/89/15/929018915.db2.gz PAPHURUUDDQWMT-JTQLQIEISA-N 1 1 320.415 -1.633 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(N)=O)CC[N@H+]1C ZINC001443671241 929020995 /nfs/dbraw/zinc/02/09/95/929020995.db2.gz JLSZYTMJEIXRIC-NOOOWODRSA-N 1 1 323.397 -1.193 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001443656007 929021366 /nfs/dbraw/zinc/02/13/66/929021366.db2.gz SXKYLHKSEITFCP-UHFFFAOYSA-N 1 1 320.415 -1.938 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001443659316 929021614 /nfs/dbraw/zinc/02/16/14/929021614.db2.gz IXUVFPYWWZIKRG-SECBINFHSA-N 1 1 320.415 -1.940 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001443749845 929025181 /nfs/dbraw/zinc/02/51/81/929025181.db2.gz LHYXRUUCODFYHC-QJPTWQEYSA-N 1 1 324.385 -1.509 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744837 929025245 /nfs/dbraw/zinc/02/52/45/929025245.db2.gz VEAWNRRJMCXBRL-PWSUYJOCSA-N 1 1 313.402 -1.700 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001443744837 929025257 /nfs/dbraw/zinc/02/52/57/929025257.db2.gz VEAWNRRJMCXBRL-PWSUYJOCSA-N 1 1 313.402 -1.700 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443745467 929026654 /nfs/dbraw/zinc/02/66/54/929026654.db2.gz UBNHYISZUGQULF-DJLDLDEBSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443745467 929026667 /nfs/dbraw/zinc/02/66/67/929026667.db2.gz UBNHYISZUGQULF-DJLDLDEBSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001443777797 929028526 /nfs/dbraw/zinc/02/85/26/929028526.db2.gz ZYNKHBKDQIINPE-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001443777797 929028539 /nfs/dbraw/zinc/02/85/39/929028539.db2.gz ZYNKHBKDQIINPE-MNOVXSKESA-N 1 1 324.385 -1.214 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443816593 929030205 /nfs/dbraw/zinc/03/02/05/929030205.db2.gz QMBZKBOGZFHKRT-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001443819023 929030706 /nfs/dbraw/zinc/03/07/06/929030706.db2.gz UKYBQHRZINWCCD-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001443819023 929030716 /nfs/dbraw/zinc/03/07/16/929030716.db2.gz UKYBQHRZINWCCD-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001443820746 929031144 /nfs/dbraw/zinc/03/11/44/929031144.db2.gz QXIMCMMVIHCJBN-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807161 929031951 /nfs/dbraw/zinc/03/19/51/929031951.db2.gz JIJMFSHUBVVNII-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001443807161 929031960 /nfs/dbraw/zinc/03/19/60/929031960.db2.gz JIJMFSHUBVVNII-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO CCN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443870022 929032259 /nfs/dbraw/zinc/03/22/59/929032259.db2.gz RUXHXZADCZDVMT-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001443876038 929032570 /nfs/dbraw/zinc/03/25/70/929032570.db2.gz VIOFQSDJOFIOAG-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001443876021 929032885 /nfs/dbraw/zinc/03/28/85/929032885.db2.gz VIOFQSDJOFIOAG-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001443889983 929033134 /nfs/dbraw/zinc/03/31/34/929033134.db2.gz LNQLHOFNNRKQFG-KOLCDFICSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@H](CN(C)C(=O)c1cn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001443889983 929033145 /nfs/dbraw/zinc/03/31/45/929033145.db2.gz LNQLHOFNNRKQFG-KOLCDFICSA-N 1 1 310.358 -1.288 20 0 DAADMO CC[C@H](CNC(=O)Cc1nnc(C)[nH]1)[NH2+]Cc1nnnn1C ZINC001443950625 929036121 /nfs/dbraw/zinc/03/61/21/929036121.db2.gz ZXZWLRWHKXDBNR-SECBINFHSA-N 1 1 307.362 -1.136 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001443973245 929037256 /nfs/dbraw/zinc/03/72/56/929037256.db2.gz QJYCPCUUAQEKET-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CC[C@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1nncn1C ZINC001444019237 929040797 /nfs/dbraw/zinc/04/07/97/929040797.db2.gz ZWVHQHOADYMFDT-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444062553 929045147 /nfs/dbraw/zinc/04/51/47/929045147.db2.gz BXGXBSZCXHHCGQ-ZYHUDNBSSA-N 1 1 314.386 -1.942 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001444066387 929048117 /nfs/dbraw/zinc/04/81/17/929048117.db2.gz MLEAYUVXFIWREV-SECBINFHSA-N 1 1 323.357 -1.163 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001444072466 929048570 /nfs/dbraw/zinc/04/85/70/929048570.db2.gz WXCSHKGUJYMSGF-GFCCVEGCSA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001444093669 929051787 /nfs/dbraw/zinc/05/17/87/929051787.db2.gz JGGGCPUHCUCFRD-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001444092944 929051861 /nfs/dbraw/zinc/05/18/61/929051861.db2.gz YSVCSLIGCLNAJM-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO Cn1cc(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001444098587 929052437 /nfs/dbraw/zinc/05/24/37/929052437.db2.gz CEFWTCFODAMTFH-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103902 929055125 /nfs/dbraw/zinc/05/51/25/929055125.db2.gz IWQLFFCACOSCHH-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103902 929055134 /nfs/dbraw/zinc/05/51/34/929055134.db2.gz IWQLFFCACOSCHH-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444102328 929055284 /nfs/dbraw/zinc/05/52/84/929055284.db2.gz HBFVVRWKPMSQSZ-YPMHNXCESA-N 1 1 323.397 -1.052 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001444105733 929057135 /nfs/dbraw/zinc/05/71/35/929057135.db2.gz LMGARNHVQMUXBH-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001444110878 929057788 /nfs/dbraw/zinc/05/77/88/929057788.db2.gz AJIWCUSNYIQHJF-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001444111065 929057965 /nfs/dbraw/zinc/05/79/65/929057965.db2.gz BVFOREBAVHCDDF-CMPLNLGQSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001444111074 929058568 /nfs/dbraw/zinc/05/85/68/929058568.db2.gz BVFOREBAVHCDDF-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001444117654 929061837 /nfs/dbraw/zinc/06/18/37/929061837.db2.gz JKHHFSLLEAVPBR-TVQRCGJNSA-N 1 1 323.357 -1.307 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001444129590 929065364 /nfs/dbraw/zinc/06/53/64/929065364.db2.gz VTOHEPGRQSAMMC-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001444131250 929066882 /nfs/dbraw/zinc/06/68/82/929066882.db2.gz VGTOZQYQJMJRBP-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1nccnc1N ZINC001444134336 929068267 /nfs/dbraw/zinc/06/82/67/929068267.db2.gz YHUWPHGLRJUMJC-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O ZINC001444159249 929070924 /nfs/dbraw/zinc/07/09/24/929070924.db2.gz QAWYCSVDOJMLTO-QWRGUYRKSA-N 1 1 301.387 -1.165 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001444178339 929076504 /nfs/dbraw/zinc/07/65/04/929076504.db2.gz LWNVLORWJCGMGO-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]cn2)C1 ZINC001444181798 929078713 /nfs/dbraw/zinc/07/87/13/929078713.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181798 929078724 /nfs/dbraw/zinc/07/87/24/929078724.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181798 929078734 /nfs/dbraw/zinc/07/87/34/929078734.db2.gz AELOJQZEOQCFHF-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181279 929079045 /nfs/dbraw/zinc/07/90/45/929079045.db2.gz RCUXCLMECQKVKK-ZJUUUORDSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncc[nH]2)C1 ZINC001444181279 929079059 /nfs/dbraw/zinc/07/90/59/929079059.db2.gz RCUXCLMECQKVKK-ZJUUUORDSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCn2ccnn2)C1 ZINC001444187359 929080734 /nfs/dbraw/zinc/08/07/34/929080734.db2.gz KGMJGGVZKJPDES-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444186924 929080760 /nfs/dbraw/zinc/08/07/60/929080760.db2.gz XNJSPQSXQUTSER-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444189336 929080937 /nfs/dbraw/zinc/08/09/37/929080937.db2.gz MKLDSYKBRCHULF-JQWIXIFHSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001444187898 929081170 /nfs/dbraw/zinc/08/11/70/929081170.db2.gz XOEAAWHLPCFCAC-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444186964 929081374 /nfs/dbraw/zinc/08/13/74/929081374.db2.gz XNJSPQSXQUTSER-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001444189515 929082613 /nfs/dbraw/zinc/08/26/13/929082613.db2.gz MZGXBLSKMJFIPD-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444189828 929082653 /nfs/dbraw/zinc/08/26/53/929082653.db2.gz UOGXVXCJOFBZBD-YUSALJHKSA-N 1 1 314.386 -1.944 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001444189911 929083361 /nfs/dbraw/zinc/08/33/61/929083361.db2.gz FAYGDSOMDWWCGR-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001444189908 929083668 /nfs/dbraw/zinc/08/36/68/929083668.db2.gz FAYGDSOMDWWCGR-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001444222267 929088090 /nfs/dbraw/zinc/08/80/90/929088090.db2.gz HOOAPNSUGBFOJV-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001444246895 929091726 /nfs/dbraw/zinc/09/17/26/929091726.db2.gz FTRYJLLPLBDOLR-LLVKDONJSA-N 1 1 303.359 -2.052 20 0 DAADMO COCC(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001444246897 929093225 /nfs/dbraw/zinc/09/32/25/929093225.db2.gz FTRYJLLPLBDOLR-NSHDSACASA-N 1 1 303.359 -2.052 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnsn1 ZINC001444261328 929096450 /nfs/dbraw/zinc/09/64/50/929096450.db2.gz WRUAIRFNCWMJAD-WCBMZHEXSA-N 1 1 313.383 -1.161 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1nccnc1N ZINC001444269339 929098797 /nfs/dbraw/zinc/09/87/97/929098797.db2.gz JKNULZJTWLUTHE-JTQLQIEISA-N 1 1 324.385 -1.393 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001444265834 929098833 /nfs/dbraw/zinc/09/88/33/929098833.db2.gz KKUAGXPUOKATET-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001444265834 929098840 /nfs/dbraw/zinc/09/88/40/929098840.db2.gz KKUAGXPUOKATET-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001444275172 929100365 /nfs/dbraw/zinc/10/03/65/929100365.db2.gz MXXKINYYMCRNMR-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cnnn1C ZINC001444278522 929101727 /nfs/dbraw/zinc/10/17/27/929101727.db2.gz YBTLVTGQYINNGL-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001444283540 929102710 /nfs/dbraw/zinc/10/27/10/929102710.db2.gz XLXICZRYXDUPQR-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444288694 929104421 /nfs/dbraw/zinc/10/44/21/929104421.db2.gz KTCXCVOYJWMCQQ-WDEREUQCSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@@H](CNCc1nnn(C)n1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444288694 929104424 /nfs/dbraw/zinc/10/44/24/929104424.db2.gz KTCXCVOYJWMCQQ-WDEREUQCSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1nnn(C)n1 ZINC001444299989 929105901 /nfs/dbraw/zinc/10/59/01/929105901.db2.gz SANKOWUTEYRTRM-VHSXEESVSA-N 1 1 307.362 -1.095 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)c1[nH]ncc1F ZINC001444312425 929110698 /nfs/dbraw/zinc/11/06/98/929110698.db2.gz VSILGNMBUMKSBN-MRVPVSSYSA-N 1 1 301.322 -1.293 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001444349130 929115637 /nfs/dbraw/zinc/11/56/37/929115637.db2.gz LZSHTEAEYXOJCS-DTWKUNHWSA-N 1 1 310.362 -1.924 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cn[nH]n2)C1 ZINC001444344107 929115705 /nfs/dbraw/zinc/11/57/05/929115705.db2.gz FHGQQUYDCVMZHV-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344107 929115711 /nfs/dbraw/zinc/11/57/11/929115711.db2.gz FHGQQUYDCVMZHV-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344107 929115716 /nfs/dbraw/zinc/11/57/16/929115716.db2.gz FHGQQUYDCVMZHV-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344107 929115720 /nfs/dbraw/zinc/11/57/20/929115720.db2.gz FHGQQUYDCVMZHV-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344107 929115724 /nfs/dbraw/zinc/11/57/24/929115724.db2.gz FHGQQUYDCVMZHV-ZYHUDNBSSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2cn[nH]n2)C1 ZINC001444344106 929116698 /nfs/dbraw/zinc/11/66/98/929116698.db2.gz FHGQQUYDCVMZHV-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344106 929116705 /nfs/dbraw/zinc/11/67/05/929116705.db2.gz FHGQQUYDCVMZHV-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2c[nH]nn2)C1 ZINC001444344106 929116709 /nfs/dbraw/zinc/11/67/09/929116709.db2.gz FHGQQUYDCVMZHV-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344106 929116718 /nfs/dbraw/zinc/11/67/18/929116718.db2.gz FHGQQUYDCVMZHV-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2cnn[nH]2)C1 ZINC001444344106 929116723 /nfs/dbraw/zinc/11/67/23/929116723.db2.gz FHGQQUYDCVMZHV-PWSUYJOCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1nnn(C)n1 ZINC001444415487 929120532 /nfs/dbraw/zinc/12/05/32/929120532.db2.gz XWEWCYLQQROGLJ-SECBINFHSA-N 1 1 320.357 -1.541 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443244 929123883 /nfs/dbraw/zinc/12/38/83/929123883.db2.gz BVIGUGLUDDQELP-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443244 929123889 /nfs/dbraw/zinc/12/38/89/929123889.db2.gz BVIGUGLUDDQELP-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444444096 929124452 /nfs/dbraw/zinc/12/44/52/929124452.db2.gz IPFKVIHNFXHZLQ-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444444096 929124462 /nfs/dbraw/zinc/12/44/62/929124462.db2.gz IPFKVIHNFXHZLQ-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CN(CCCO)CCO1 ZINC001444463727 929126185 /nfs/dbraw/zinc/12/61/85/929126185.db2.gz FJJQIHJWZCQLIU-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001444477744 929126320 /nfs/dbraw/zinc/12/63/20/929126320.db2.gz OLIZTXYQWBXFCX-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001444477744 929126323 /nfs/dbraw/zinc/12/63/23/929126323.db2.gz OLIZTXYQWBXFCX-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001444460874 929126488 /nfs/dbraw/zinc/12/64/88/929126488.db2.gz QOHGTCNMLGIFQN-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001444460874 929126495 /nfs/dbraw/zinc/12/64/95/929126495.db2.gz QOHGTCNMLGIFQN-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO NC(=O)CN1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001444472697 929126571 /nfs/dbraw/zinc/12/65/71/929126571.db2.gz QYARIBKDVHLOBA-LBPRGKRZSA-N 1 1 314.386 -1.989 20 0 DAADMO NC(=O)CN1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001444472689 929126707 /nfs/dbraw/zinc/12/67/07/929126707.db2.gz QYARIBKDVHLOBA-GFCCVEGCSA-N 1 1 314.386 -1.989 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001444582498 929130552 /nfs/dbraw/zinc/13/05/52/929130552.db2.gz KFBFANLDEKEZOX-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444616412 929135542 /nfs/dbraw/zinc/13/55/42/929135542.db2.gz GAAFVZGTSLNYQK-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1cc[nH]n1 ZINC001444632348 929136193 /nfs/dbraw/zinc/13/61/93/929136193.db2.gz WZXYAPCAWZXHPL-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632348 929136196 /nfs/dbraw/zinc/13/61/96/929136196.db2.gz WZXYAPCAWZXHPL-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632348 929136200 /nfs/dbraw/zinc/13/62/00/929136200.db2.gz WZXYAPCAWZXHPL-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001444630076 929137343 /nfs/dbraw/zinc/13/73/43/929137343.db2.gz RGBBYJQSAWSESQ-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO CC(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444634945 929138982 /nfs/dbraw/zinc/13/89/82/929138982.db2.gz YSJKOXCBYWPXJJ-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444634945 929138991 /nfs/dbraw/zinc/13/89/91/929138991.db2.gz YSJKOXCBYWPXJJ-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn(C)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444655618 929140050 /nfs/dbraw/zinc/14/00/50/929140050.db2.gz RRURMIQCNVGSGC-WCQYABFASA-N 1 1 323.397 -1.079 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444654626 929140899 /nfs/dbraw/zinc/14/08/99/929140899.db2.gz QLKSBJJHUJFSLW-GHMZBOCLSA-N 1 1 324.385 -1.386 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1[nH]nnc1C ZINC001444656913 929140954 /nfs/dbraw/zinc/14/09/54/929140954.db2.gz ZAWBAJGTERBBFA-ZETCQYMHSA-N 1 1 311.346 -1.381 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001444663221 929141767 /nfs/dbraw/zinc/14/17/67/929141767.db2.gz HAXDKEGBSGSWGB-VHSXEESVSA-N 1 1 300.363 -1.192 20 0 DAADMO COC[C@H](OC)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001444663203 929142014 /nfs/dbraw/zinc/14/20/14/929142014.db2.gz HAXDKEGBSGSWGB-UWVGGRQHSA-N 1 1 300.363 -1.192 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444700087 929146636 /nfs/dbraw/zinc/14/66/36/929146636.db2.gz BMRLDCLROJBVKS-JTQLQIEISA-N 1 1 321.341 -1.441 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444702844 929146749 /nfs/dbraw/zinc/14/67/49/929146749.db2.gz VGZGUWUYLLNIDB-MNOVXSKESA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444702844 929146754 /nfs/dbraw/zinc/14/67/54/929146754.db2.gz VGZGUWUYLLNIDB-MNOVXSKESA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444702844 929146757 /nfs/dbraw/zinc/14/67/57/929146757.db2.gz VGZGUWUYLLNIDB-MNOVXSKESA-N 1 1 324.385 -1.386 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)Cn1cnnn1 ZINC001444946590 929157519 /nfs/dbraw/zinc/15/75/19/929157519.db2.gz FEGDGCCRAWBWLI-LLVKDONJSA-N 1 1 319.373 -1.158 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001444986863 929159013 /nfs/dbraw/zinc/15/90/13/929159013.db2.gz IPPDAIIPGIQGLO-SECBINFHSA-N 1 1 313.358 -1.950 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001444986863 929159016 /nfs/dbraw/zinc/15/90/16/929159016.db2.gz IPPDAIIPGIQGLO-SECBINFHSA-N 1 1 313.358 -1.950 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001444980810 929159118 /nfs/dbraw/zinc/15/91/18/929159118.db2.gz VIBBTYJQJZGKEL-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001444980810 929159123 /nfs/dbraw/zinc/15/91/23/929159123.db2.gz VIBBTYJQJZGKEL-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO Cc1ccnc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001444972840 929159467 /nfs/dbraw/zinc/15/94/67/929159467.db2.gz QMBIYIXXZQJKML-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1ccnc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001444972840 929159476 /nfs/dbraw/zinc/15/94/76/929159476.db2.gz QMBIYIXXZQJKML-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001444980807 929159706 /nfs/dbraw/zinc/15/97/06/929159706.db2.gz VIBBTYJQJZGKEL-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001444980807 929159714 /nfs/dbraw/zinc/15/97/14/929159714.db2.gz VIBBTYJQJZGKEL-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001444994309 929159890 /nfs/dbraw/zinc/15/98/90/929159890.db2.gz ZLERAULFAHSDNR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001444994309 929159897 /nfs/dbraw/zinc/15/98/97/929159897.db2.gz ZLERAULFAHSDNR-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001444994307 929160733 /nfs/dbraw/zinc/16/07/33/929160733.db2.gz ZLERAULFAHSDNR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001444994307 929160741 /nfs/dbraw/zinc/16/07/41/929160741.db2.gz ZLERAULFAHSDNR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)COCc1nncn1C ZINC001445068483 929161310 /nfs/dbraw/zinc/16/13/10/929161310.db2.gz JXFRDCBUUKGGKE-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)COCc1nncn1C ZINC001445068483 929161316 /nfs/dbraw/zinc/16/13/16/929161316.db2.gz JXFRDCBUUKGGKE-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001445034903 929161334 /nfs/dbraw/zinc/16/13/34/929161334.db2.gz RJGSNXBFNZKRCL-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)CN(C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001445046389 929161435 /nfs/dbraw/zinc/16/14/35/929161435.db2.gz LJONRQKSVBMQTP-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccn(C)n1 ZINC001445089842 929162254 /nfs/dbraw/zinc/16/22/54/929162254.db2.gz XYKZLBJHTIWFEP-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccn(C)n1 ZINC001445089842 929162261 /nfs/dbraw/zinc/16/22/61/929162261.db2.gz XYKZLBJHTIWFEP-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001445026540 929162858 /nfs/dbraw/zinc/16/28/58/929162858.db2.gz HDZVOJQFKHZLMY-GHMZBOCLSA-N 1 1 323.401 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001445026540 929162870 /nfs/dbraw/zinc/16/28/70/929162870.db2.gz HDZVOJQFKHZLMY-GHMZBOCLSA-N 1 1 323.401 -1.110 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001445018495 929163180 /nfs/dbraw/zinc/16/31/80/929163180.db2.gz IXUOBSDQUAYMBX-UHFFFAOYSA-N 1 1 313.402 -2.103 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001445018495 929163187 /nfs/dbraw/zinc/16/31/87/929163187.db2.gz IXUOBSDQUAYMBX-UHFFFAOYSA-N 1 1 313.402 -2.103 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001445026543 929163224 /nfs/dbraw/zinc/16/32/24/929163224.db2.gz HDZVOJQFKHZLMY-MNOVXSKESA-N 1 1 323.401 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001445026543 929163227 /nfs/dbraw/zinc/16/32/27/929163227.db2.gz HDZVOJQFKHZLMY-MNOVXSKESA-N 1 1 323.401 -1.110 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CCn1cccn1 ZINC001445092397 929163276 /nfs/dbraw/zinc/16/32/76/929163276.db2.gz PPRMGYFIOYXUSY-UHFFFAOYSA-N 1 1 317.415 -1.178 20 0 DAADMO O=C(CCc1nc[nH]n1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445153136 929171280 /nfs/dbraw/zinc/17/12/80/929171280.db2.gz KKNBXVVMMXNMFB-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001445156179 929171800 /nfs/dbraw/zinc/17/18/00/929171800.db2.gz MOSXKPZJWSDYJW-MRVPVSSYSA-N 1 1 301.372 -1.369 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cccc(=O)[nH]2)n1 ZINC001445154223 929171866 /nfs/dbraw/zinc/17/18/66/929171866.db2.gz ITHHJKLRFVUSJD-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001445154085 929171954 /nfs/dbraw/zinc/17/19/54/929171954.db2.gz IIZOFVPPSHYCRK-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001445154085 929171958 /nfs/dbraw/zinc/17/19/58/929171958.db2.gz IIZOFVPPSHYCRK-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445162852 929172872 /nfs/dbraw/zinc/17/28/72/929172872.db2.gz SUHYKMPDHQBATD-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445174619 929176261 /nfs/dbraw/zinc/17/62/61/929176261.db2.gz AVYCCDMVYZHHLA-SNVBAGLBSA-N 1 1 313.362 -2.299 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001445179171 929177675 /nfs/dbraw/zinc/17/76/75/929177675.db2.gz CHYTVRGUIBZWNI-MRVPVSSYSA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)o1 ZINC001445182795 929178548 /nfs/dbraw/zinc/17/85/48/929178548.db2.gz NJFUQJPKXLYMGS-NXEZZACHSA-N 1 1 309.330 -1.203 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)nn1 ZINC001445182287 929178650 /nfs/dbraw/zinc/17/86/50/929178650.db2.gz HQCLICGSXDEOHR-SECBINFHSA-N 1 1 320.357 -1.309 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)nn1 ZINC001445183576 929179121 /nfs/dbraw/zinc/17/91/21/929179121.db2.gz MGUOYUSDWTWZGS-JKOKRWQUSA-N 1 1 309.370 -1.099 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001445182157 929179124 /nfs/dbraw/zinc/17/91/24/929179124.db2.gz FFHLMJXXVWIFKP-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nn1 ZINC001445187986 929180895 /nfs/dbraw/zinc/18/08/95/929180895.db2.gz OOSBGCJXEXOYMA-GHMZBOCLSA-N 1 1 310.358 -1.950 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnnn2CC)n1 ZINC001445189592 929180937 /nfs/dbraw/zinc/18/09/37/929180937.db2.gz NWRHQAADAKFGQK-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCN(C)C2=O)nn1 ZINC001445188034 929181025 /nfs/dbraw/zinc/18/10/25/929181025.db2.gz OXCODRFARUJTGO-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445199295 929183096 /nfs/dbraw/zinc/18/30/96/929183096.db2.gz UUJLNFUZGUNMAQ-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001445205201 929184145 /nfs/dbraw/zinc/18/41/45/929184145.db2.gz YSOGXXOCWIRBAX-GHMZBOCLSA-N 1 1 307.354 -1.431 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001445205206 929184554 /nfs/dbraw/zinc/18/45/54/929184554.db2.gz YSOGXXOCWIRBAX-MNOVXSKESA-N 1 1 307.354 -1.431 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001445206042 929184570 /nfs/dbraw/zinc/18/45/70/929184570.db2.gz OQSFINHYCBPFRG-SNVBAGLBSA-N 1 1 322.373 -1.559 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nc1 ZINC001445203191 929185388 /nfs/dbraw/zinc/18/53/88/929185388.db2.gz CEZOSIQXZWSNLG-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001445206577 929185567 /nfs/dbraw/zinc/18/55/67/929185567.db2.gz LMANLSZLDYUDOR-UWVGGRQHSA-N 1 1 310.358 -2.092 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001445212102 929186891 /nfs/dbraw/zinc/18/68/91/929186891.db2.gz WKPBOSZLRQWCCG-UWVGGRQHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001445212099 929187439 /nfs/dbraw/zinc/18/74/39/929187439.db2.gz WKPBOSZLRQWCCG-NXEZZACHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445210616 929187464 /nfs/dbraw/zinc/18/74/64/929187464.db2.gz URZPWTOGMIJBHI-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001445207848 929187543 /nfs/dbraw/zinc/18/75/43/929187543.db2.gz MJNUKHZMYYFESX-QWRGUYRKSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001445207849 929187580 /nfs/dbraw/zinc/18/75/80/929187580.db2.gz MJNUKHZMYYFESX-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nn1 ZINC001445218765 929189048 /nfs/dbraw/zinc/18/90/48/929189048.db2.gz NEGKYGFWQXSXOZ-MNOVXSKESA-N 1 1 310.358 -1.997 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001445213192 929190382 /nfs/dbraw/zinc/19/03/82/929190382.db2.gz RSKVQVADLRBLOH-LLVKDONJSA-N 1 1 317.367 -1.324 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1C ZINC001445220418 929191175 /nfs/dbraw/zinc/19/11/75/929191175.db2.gz WOIPQUSPROHUNX-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001445225689 929191684 /nfs/dbraw/zinc/19/16/84/929191684.db2.gz AWVXMZHDWXVLKY-VIFPVBQESA-N 1 1 321.341 -1.738 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCn2ccnc2)n1 ZINC001445225156 929191752 /nfs/dbraw/zinc/19/17/52/929191752.db2.gz OHEMNQAJANVCAU-GFCCVEGCSA-N 1 1 307.358 -1.331 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCn2ccnc2)n1 ZINC001445225158 929192168 /nfs/dbraw/zinc/19/21/68/929192168.db2.gz OHEMNQAJANVCAU-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)NC1=O ZINC001445219138 929192388 /nfs/dbraw/zinc/19/23/88/929192388.db2.gz GRXFTYBDHUECDL-BDAKNGLRSA-N 1 1 311.346 -2.595 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2nccs2)NC1=O ZINC001445221895 929192406 /nfs/dbraw/zinc/19/24/06/929192406.db2.gz IRVIEQWZLKOABE-BDAKNGLRSA-N 1 1 313.383 -1.267 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001445223952 929192547 /nfs/dbraw/zinc/19/25/47/929192547.db2.gz NQKKEFNQEVRLRA-VHSXEESVSA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2[nH]nnc2C)nn1 ZINC001445229537 929193577 /nfs/dbraw/zinc/19/35/77/929193577.db2.gz VDDDRUUOYCIPIT-JTQLQIEISA-N 1 1 308.346 -1.395 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445230499 929194432 /nfs/dbraw/zinc/19/44/32/929194432.db2.gz WLRZJYVCVGXXFJ-SNVBAGLBSA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1)c1nncn1C ZINC001445226620 929194773 /nfs/dbraw/zinc/19/47/73/929194773.db2.gz BRMJXKCLKDAHSF-RKDXNWHRSA-N 1 1 321.341 -1.660 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001445240744 929196222 /nfs/dbraw/zinc/19/62/22/929196222.db2.gz HWPPMVQFTKUKRI-SECBINFHSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001445241714 929196414 /nfs/dbraw/zinc/19/64/14/929196414.db2.gz UAGPMNVTXBXNCU-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001445235081 929196476 /nfs/dbraw/zinc/19/64/76/929196476.db2.gz XOCBRDVYTOUAMT-GHMZBOCLSA-N 1 1 324.385 -1.515 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001445247711 929197756 /nfs/dbraw/zinc/19/77/56/929197756.db2.gz FFJCDDQVQPYCLB-DTWKUNHWSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001445247711 929197762 /nfs/dbraw/zinc/19/77/62/929197762.db2.gz FFJCDDQVQPYCLB-DTWKUNHWSA-N 1 1 306.330 -1.736 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)[nH]1 ZINC001445244533 929198220 /nfs/dbraw/zinc/19/82/20/929198220.db2.gz DVFXYQHIPPAVNC-VHSXEESVSA-N 1 1 310.358 -1.651 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001445242238 929199002 /nfs/dbraw/zinc/19/90/02/929199002.db2.gz KAYVYRAVYWGWHE-GHMZBOCLSA-N 1 1 310.358 -1.965 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001445242238 929199008 /nfs/dbraw/zinc/19/90/08/929199008.db2.gz KAYVYRAVYWGWHE-GHMZBOCLSA-N 1 1 310.358 -1.965 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)COc1cccnc1 ZINC001445249160 929200571 /nfs/dbraw/zinc/20/05/71/929200571.db2.gz IGEGNDQDPWOYGW-JTQLQIEISA-N 1 1 321.341 -1.749 20 0 DAADMO CCn1nncc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445264818 929202884 /nfs/dbraw/zinc/20/28/84/929202884.db2.gz TZNGOSUEJUUGHL-ZDUSSCGKSA-N 1 1 322.413 -1.040 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)CN2CCCC2)C1=O ZINC001445260704 929203800 /nfs/dbraw/zinc/20/38/00/929203800.db2.gz AAEBIPHQQWJYPR-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)n1ccnc1 ZINC001445258252 929204022 /nfs/dbraw/zinc/20/40/22/929204022.db2.gz QNKZULOHPLBBHT-QWRGUYRKSA-N 1 1 322.373 -1.375 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)CN2CCCC2)C1=O ZINC001445260692 929204434 /nfs/dbraw/zinc/20/44/34/929204434.db2.gz AAEBIPHQQWJYPR-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001445261215 929204480 /nfs/dbraw/zinc/20/44/80/929204480.db2.gz NJWASETZRRRTQY-RYUDHWBXSA-N 1 1 324.385 -1.296 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001445261761 929204933 /nfs/dbraw/zinc/20/49/33/929204933.db2.gz VTRGITZMCINFPS-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN2CCCC2)C1=O ZINC001445260669 929205351 /nfs/dbraw/zinc/20/53/51/929205351.db2.gz AAEBIPHQQWJYPR-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001445271863 929205595 /nfs/dbraw/zinc/20/55/95/929205595.db2.gz OBULPYBGLZPUPM-LLVKDONJSA-N 1 1 321.337 -1.193 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001445271433 929206011 /nfs/dbraw/zinc/20/60/11/929206011.db2.gz RCXPSAXQJRXYSE-SECBINFHSA-N 1 1 300.363 -1.583 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001445269562 929206207 /nfs/dbraw/zinc/20/62/07/929206207.db2.gz KVMFEOJZRVUTLW-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001445270567 929206697 /nfs/dbraw/zinc/20/66/97/929206697.db2.gz MHYURWWSEFFMBL-SECBINFHSA-N 1 1 322.325 -1.648 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001445268905 929207164 /nfs/dbraw/zinc/20/71/64/929207164.db2.gz LFNBBTKXJBONAD-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C1CC1 ZINC001445279418 929211642 /nfs/dbraw/zinc/21/16/42/929211642.db2.gz QQWVYXCUDLEUTC-SNVBAGLBSA-N 1 1 310.358 -1.965 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1C ZINC001445280359 929212131 /nfs/dbraw/zinc/21/21/31/929212131.db2.gz RVTXOCWZEKKFMS-GFCCVEGCSA-N 1 1 321.385 -1.009 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1C ZINC001445280361 929212285 /nfs/dbraw/zinc/21/22/85/929212285.db2.gz RVTXOCWZEKKFMS-LBPRGKRZSA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)co1 ZINC001445277588 929212607 /nfs/dbraw/zinc/21/26/07/929212607.db2.gz XSUKZIYULBGPSS-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001445283028 929215613 /nfs/dbraw/zinc/21/56/13/929215613.db2.gz YIXVAOOSNROJJS-QWRGUYRKSA-N 1 1 322.369 -1.414 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)N1CCCC1 ZINC001445358456 929217551 /nfs/dbraw/zinc/21/75/51/929217551.db2.gz BCSBXBZRCJBXLQ-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1nc[nH]n1 ZINC001445355003 929217810 /nfs/dbraw/zinc/21/78/10/929217810.db2.gz ZLORGHZWSXZEIY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001445384278 929218535 /nfs/dbraw/zinc/21/85/35/929218535.db2.gz UGRGHJXWCWWXSN-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1COC(=O)N1 ZINC001445367297 929218618 /nfs/dbraw/zinc/21/86/18/929218618.db2.gz UATXAQHOVIZURQ-RKDXNWHRSA-N 1 1 314.321 -1.050 20 0 DAADMO C[C@H](C[NH2+]Cc1ccon1)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001445443523 929219889 /nfs/dbraw/zinc/21/98/89/929219889.db2.gz FHXUUSOIXVUDDK-SECBINFHSA-N 1 1 321.337 -1.020 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001445434959 929221288 /nfs/dbraw/zinc/22/12/88/929221288.db2.gz GSDKVTWLLXGTKZ-BXKDBHETSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1cnn[nH]1 ZINC001445401934 929221658 /nfs/dbraw/zinc/22/16/58/929221658.db2.gz JRSPXCORIRBSBW-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001445434051 929221825 /nfs/dbraw/zinc/22/18/25/929221825.db2.gz DMFXHCSAMKDAEO-KCJUWKMLSA-N 1 1 309.374 -1.118 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2cnon2)c(=O)n1C ZINC001445486578 929224389 /nfs/dbraw/zinc/22/43/89/929224389.db2.gz YWDWAEPFRMHEAM-MRVPVSSYSA-N 1 1 309.330 -1.432 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH2+]Cc2nncn2C)c(=O)n1C ZINC001445486740 929225509 /nfs/dbraw/zinc/22/55/09/929225509.db2.gz ZXAQDUUDVDJWIB-SECBINFHSA-N 1 1 322.373 -1.687 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001445507964 929230969 /nfs/dbraw/zinc/23/09/69/929230969.db2.gz SFCIBRKKNYZOQE-VXGBXAGGSA-N 1 1 323.397 -1.020 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001445572145 929235855 /nfs/dbraw/zinc/23/58/55/929235855.db2.gz UMLPLPAXTTUIIF-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN(C)S(C)(=O)=O ZINC001445554566 929236547 /nfs/dbraw/zinc/23/65/47/929236547.db2.gz PAQPCJCSZZWYRK-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)c1ncccc1O ZINC001445538615 929237014 /nfs/dbraw/zinc/23/70/14/929237014.db2.gz VDEDURQBXQCCHE-QMMMGPOBSA-N 1 1 309.326 -1.049 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001445597406 929237883 /nfs/dbraw/zinc/23/78/83/929237883.db2.gz YMVMESWNGHYVRS-WDEREUQCSA-N 1 1 323.401 -1.598 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445617249 929240668 /nfs/dbraw/zinc/24/06/68/929240668.db2.gz NAIXPEWLWFOYKU-CBAPKCEASA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445657117 929247796 /nfs/dbraw/zinc/24/77/96/929247796.db2.gz QICVVJZXMMIBLO-DTWKUNHWSA-N 1 1 316.387 -1.899 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001445680614 929252114 /nfs/dbraw/zinc/25/21/14/929252114.db2.gz XMGOJBBLDHTSNO-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001445680614 929252119 /nfs/dbraw/zinc/25/21/19/929252119.db2.gz XMGOJBBLDHTSNO-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001445706705 929252726 /nfs/dbraw/zinc/25/27/26/929252726.db2.gz VEHCIFYPQYSRCM-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001445706705 929252736 /nfs/dbraw/zinc/25/27/36/929252736.db2.gz VEHCIFYPQYSRCM-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CN(C)Cc1nnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445705272 929252999 /nfs/dbraw/zinc/25/29/99/929252999.db2.gz LACIIGNYDWXXGX-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CN(C)Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445705272 929253010 /nfs/dbraw/zinc/25/30/10/929253010.db2.gz LACIIGNYDWXXGX-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001445728949 929254343 /nfs/dbraw/zinc/25/43/43/929254343.db2.gz HMELNKLNXDUYEH-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001445728949 929254355 /nfs/dbraw/zinc/25/43/55/929254355.db2.gz HMELNKLNXDUYEH-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001445728939 929255140 /nfs/dbraw/zinc/25/51/40/929255140.db2.gz HMELNKLNXDUYEH-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001445728939 929255152 /nfs/dbraw/zinc/25/51/52/929255152.db2.gz HMELNKLNXDUYEH-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)CN1CCOCC1=O ZINC001445745935 929255358 /nfs/dbraw/zinc/25/53/58/929255358.db2.gz NGLYSGZUUZRBJK-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001445727228 929255423 /nfs/dbraw/zinc/25/54/23/929255423.db2.gz FSUFAFWVUPJIBH-VHSXEESVSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001445727228 929255436 /nfs/dbraw/zinc/25/54/36/929255436.db2.gz FSUFAFWVUPJIBH-VHSXEESVSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001445731225 929255500 /nfs/dbraw/zinc/25/55/00/929255500.db2.gz JXGMGDLMIAVSGP-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001445731225 929255513 /nfs/dbraw/zinc/25/55/13/929255513.db2.gz JXGMGDLMIAVSGP-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001445748049 929255945 /nfs/dbraw/zinc/25/59/45/929255945.db2.gz PGZRTTPUOCHZHD-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001445748049 929255955 /nfs/dbraw/zinc/25/59/55/929255955.db2.gz PGZRTTPUOCHZHD-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(N)=O ZINC001445782727 929256504 /nfs/dbraw/zinc/25/65/04/929256504.db2.gz DYEKHSGCQQNPLM-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445786632 929256722 /nfs/dbraw/zinc/25/67/22/929256722.db2.gz LAEFYQJPEHJGRJ-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001445780562 929257038 /nfs/dbraw/zinc/25/70/38/929257038.db2.gz CYMMCMKNIKGLBB-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001445780562 929257052 /nfs/dbraw/zinc/25/70/52/929257052.db2.gz CYMMCMKNIKGLBB-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445775387 929258098 /nfs/dbraw/zinc/25/80/98/929258098.db2.gz VURQZKDJCHPMEJ-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445775387 929258111 /nfs/dbraw/zinc/25/81/11/929258111.db2.gz VURQZKDJCHPMEJ-MXWKQRLJSA-N 1 1 314.386 -1.279 20 0 DAADMO COCC[N@@H+](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001445761111 929258258 /nfs/dbraw/zinc/25/82/58/929258258.db2.gz ILPVBIRABFKHAX-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001445771941 929258486 /nfs/dbraw/zinc/25/84/86/929258486.db2.gz WRKISUIALHOEHM-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001445771941 929258495 /nfs/dbraw/zinc/25/84/95/929258495.db2.gz WRKISUIALHOEHM-VHSXEESVSA-N 1 1 324.385 -1.271 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828505 929260355 /nfs/dbraw/zinc/26/03/55/929260355.db2.gz LIZJXVDOLNYUKG-ZJUUUORDSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001445828505 929260367 /nfs/dbraw/zinc/26/03/67/929260367.db2.gz LIZJXVDOLNYUKG-ZJUUUORDSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001445823460 929261020 /nfs/dbraw/zinc/26/10/20/929261020.db2.gz VQVYHZFROJVVRC-UWVGGRQHSA-N 1 1 310.420 -1.800 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001445876722 929262474 /nfs/dbraw/zinc/26/24/74/929262474.db2.gz UJASIMWVUCGZLA-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001445963826 929265847 /nfs/dbraw/zinc/26/58/47/929265847.db2.gz XAZNFMOOCJQRJR-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001446025376 929267461 /nfs/dbraw/zinc/26/74/61/929267461.db2.gz VYCQDYKFBUHFQY-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001446033213 929270751 /nfs/dbraw/zinc/27/07/51/929270751.db2.gz DNAMILBCZMAAIS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001446033213 929270761 /nfs/dbraw/zinc/27/07/61/929270761.db2.gz DNAMILBCZMAAIS-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092061 929274475 /nfs/dbraw/zinc/27/44/75/929274475.db2.gz JQRWGZSRAYJJIX-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001446092061 929274483 /nfs/dbraw/zinc/27/44/83/929274483.db2.gz JQRWGZSRAYJJIX-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001446113692 929274919 /nfs/dbraw/zinc/27/49/19/929274919.db2.gz ALJWOKOYWUTJLP-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001446113692 929274931 /nfs/dbraw/zinc/27/49/31/929274931.db2.gz ALJWOKOYWUTJLP-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001446098534 929275152 /nfs/dbraw/zinc/27/51/52/929275152.db2.gz KZPHNHCFFOUNEN-QWRGUYRKSA-N 1 1 300.359 -1.797 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)C[C@H]3CCNC3=O)CC2)nc1=O ZINC001446174897 929278294 /nfs/dbraw/zinc/27/82/94/929278294.db2.gz HGSVMKQQEUSOOR-SECBINFHSA-N 1 1 322.369 -1.627 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001446201792 929279719 /nfs/dbraw/zinc/27/97/19/929279719.db2.gz FDJFPYYQDZMNKP-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001446201792 929279730 /nfs/dbraw/zinc/27/97/30/929279730.db2.gz FDJFPYYQDZMNKP-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001446201792 929279741 /nfs/dbraw/zinc/27/97/41/929279741.db2.gz FDJFPYYQDZMNKP-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001446215142 929280661 /nfs/dbraw/zinc/28/06/61/929280661.db2.gz IGFDDDVOXWLZPI-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001446215142 929280672 /nfs/dbraw/zinc/28/06/72/929280672.db2.gz IGFDDDVOXWLZPI-VHSXEESVSA-N 1 1 310.358 -1.552 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3c[nH]c(=O)n3C)CC2)nc1=O ZINC001446225700 929283351 /nfs/dbraw/zinc/28/33/51/929283351.db2.gz XHIIPWNEAONMCO-UHFFFAOYSA-N 1 1 321.341 -1.400 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001446341553 929285901 /nfs/dbraw/zinc/28/59/01/929285901.db2.gz BXJPKOQRXYLMLS-ZDUSSCGKSA-N 1 1 319.427 -1.158 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001446341543 929285978 /nfs/dbraw/zinc/28/59/78/929285978.db2.gz BXJPKOQRXYLMLS-CYBMUJFWSA-N 1 1 319.427 -1.158 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001446416010 929289113 /nfs/dbraw/zinc/28/91/13/929289113.db2.gz QKPCJJKJTJJCRU-JTQLQIEISA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001446398432 929289471 /nfs/dbraw/zinc/28/94/71/929289471.db2.gz KLOBUVALLXAMAF-CMPLNLGQSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001446381180 929290304 /nfs/dbraw/zinc/29/03/04/929290304.db2.gz ROPBBTBFYQTNIK-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001446398442 929290500 /nfs/dbraw/zinc/29/05/00/929290500.db2.gz KLOBUVALLXAMAF-PWSUYJOCSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001446496937 929296383 /nfs/dbraw/zinc/29/63/83/929296383.db2.gz MEGZNQXYEIEJMW-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001446535133 929297027 /nfs/dbraw/zinc/29/70/27/929297027.db2.gz NWDDABSZZADJAF-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO COC(=O)NCC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001446513118 929297112 /nfs/dbraw/zinc/29/71/12/929297112.db2.gz MRVIGXPKAKJEMM-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCNC(N)=O)C1 ZINC001446563873 929297520 /nfs/dbraw/zinc/29/75/20/929297520.db2.gz PHDGHGQAAXGWIZ-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001446541280 929299064 /nfs/dbraw/zinc/29/90/64/929299064.db2.gz YBHVKRCSZAVKMD-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001446541280 929299075 /nfs/dbraw/zinc/29/90/75/929299075.db2.gz YBHVKRCSZAVKMD-ZDUSSCGKSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@]1(NC(=O)CCNS(C)(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001446544450 929299347 /nfs/dbraw/zinc/29/93/47/929299347.db2.gz YENDCTJTYFSNIV-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@]1(NC(=O)CCNS(C)(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001446544450 929299354 /nfs/dbraw/zinc/29/93/54/929299354.db2.gz YENDCTJTYFSNIV-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@]1(NC(=O)CN2CCCNC2=O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446544243 929299556 /nfs/dbraw/zinc/29/95/56/929299556.db2.gz YDZUITKEKSRRNO-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)CN2CCCNC2=O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446544243 929299571 /nfs/dbraw/zinc/29/95/71/929299571.db2.gz YDZUITKEKSRRNO-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)CNC(=O)NC)C1 ZINC001446689835 929302672 /nfs/dbraw/zinc/30/26/72/929302672.db2.gz YCHMSWIVLDXTSU-AWEZNQCLSA-N 1 1 313.402 -1.120 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cncnc3)C2)C1=O ZINC001446733715 929305261 /nfs/dbraw/zinc/30/52/61/929305261.db2.gz ALZSGTPILVKHLH-IUODEOHRSA-N 1 1 319.365 -1.126 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001446734954 929305837 /nfs/dbraw/zinc/30/58/37/929305837.db2.gz GZXFMWQIYOHJPC-PELKAZGASA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001446734954 929305846 /nfs/dbraw/zinc/30/58/46/929305846.db2.gz GZXFMWQIYOHJPC-PELKAZGASA-N 1 1 313.383 -1.031 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001446736006 929306168 /nfs/dbraw/zinc/30/61/68/929306168.db2.gz JRSYGNVLUFMKFF-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446734500 929306212 /nfs/dbraw/zinc/30/62/12/929306212.db2.gz CBGVXJZIPFLLJK-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446734500 929306223 /nfs/dbraw/zinc/30/62/23/929306223.db2.gz CBGVXJZIPFLLJK-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446736761 929306319 /nfs/dbraw/zinc/30/63/19/929306319.db2.gz ISSOMQHRKIZMGA-UFBFGSQYSA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446736761 929306331 /nfs/dbraw/zinc/30/63/31/929306331.db2.gz ISSOMQHRKIZMGA-UFBFGSQYSA-N 1 1 301.347 -2.658 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446734307 929306550 /nfs/dbraw/zinc/30/65/50/929306550.db2.gz ABEVJJQZBOTKKK-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446734307 929306561 /nfs/dbraw/zinc/30/65/61/929306561.db2.gz ABEVJJQZBOTKKK-AWEZNQCLSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001446731315 929307080 /nfs/dbraw/zinc/30/70/80/929307080.db2.gz AHDLTXLFZTXIJO-GXTWGEPZSA-N 1 1 324.385 -1.347 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741702 929307410 /nfs/dbraw/zinc/30/74/10/929307410.db2.gz ATIOPCXPRJAVMO-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001446741702 929307423 /nfs/dbraw/zinc/30/74/23/929307423.db2.gz ATIOPCXPRJAVMO-HZMBPMFUSA-N 1 1 309.370 -1.611 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746753 929307497 /nfs/dbraw/zinc/30/74/97/929307497.db2.gz SVFHJNXNEPXQKZ-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746753 929307510 /nfs/dbraw/zinc/30/75/10/929307510.db2.gz SVFHJNXNEPXQKZ-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446751207 929307576 /nfs/dbraw/zinc/30/75/76/929307576.db2.gz BEQGKODMTQBCHU-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001446745217 929307653 /nfs/dbraw/zinc/30/76/53/929307653.db2.gz GMHYWGJDQAEBAZ-IAQYHMDHSA-N 1 1 324.381 -1.903 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001446745217 929307665 /nfs/dbraw/zinc/30/76/65/929307665.db2.gz GMHYWGJDQAEBAZ-IAQYHMDHSA-N 1 1 324.381 -1.903 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2nccnc2C)C1 ZINC001446750155 929307837 /nfs/dbraw/zinc/30/78/37/929307837.db2.gz ZSYGGRSQYLUABW-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2nccnc2C)C1 ZINC001446750155 929307848 /nfs/dbraw/zinc/30/78/48/929307848.db2.gz ZSYGGRSQYLUABW-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001446745923 929308008 /nfs/dbraw/zinc/30/80/08/929308008.db2.gz SAJJSYSHIIZKIW-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CCOC(C)C)C1 ZINC001446750892 929308082 /nfs/dbraw/zinc/30/80/82/929308082.db2.gz KHZRUNNKBARMIO-CQSZACIVSA-N 1 1 316.402 -1.107 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446747596 929308446 /nfs/dbraw/zinc/30/84/46/929308446.db2.gz CSBUWSHZFAUIKB-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1c[nH]cn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446747596 929308456 /nfs/dbraw/zinc/30/84/56/929308456.db2.gz CSBUWSHZFAUIKB-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cocn1 ZINC001446749935 929308882 /nfs/dbraw/zinc/30/88/82/929308882.db2.gz NPBTVUWURYGDLT-AWEZNQCLSA-N 1 1 323.353 -1.134 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001446747777 929309320 /nfs/dbraw/zinc/30/93/20/929309320.db2.gz LLHZNDHICJODSY-SWLSCSKDSA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001446740175 929309728 /nfs/dbraw/zinc/30/97/28/929309728.db2.gz VUFBTDCQCQCCOS-LBPRGKRZSA-N 1 1 302.331 -2.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001446740175 929309741 /nfs/dbraw/zinc/30/97/41/929309741.db2.gz VUFBTDCQCQCCOS-LBPRGKRZSA-N 1 1 302.331 -2.359 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446751205 929309950 /nfs/dbraw/zinc/30/99/50/929309950.db2.gz BEQGKODMTQBCHU-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446742707 929310266 /nfs/dbraw/zinc/31/02/66/929310266.db2.gz ZNHKETLJXZUWSM-OPQQBVKSSA-N 1 1 318.374 -2.397 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC001446759088 929311335 /nfs/dbraw/zinc/31/13/35/929311335.db2.gz ZSNRYPLONMYCEK-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001446755240 929311451 /nfs/dbraw/zinc/31/14/51/929311451.db2.gz SPLGAISLHDGHSM-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001446755240 929311458 /nfs/dbraw/zinc/31/14/58/929311458.db2.gz SPLGAISLHDGHSM-HNNXBMFYSA-N 1 1 321.381 -1.129 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1=O ZINC001446756316 929311892 /nfs/dbraw/zinc/31/18/92/929311892.db2.gz LGUZUZZMIFQUFP-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1=O ZINC001446756316 929311897 /nfs/dbraw/zinc/31/18/97/929311897.db2.gz LGUZUZZMIFQUFP-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753722 929312062 /nfs/dbraw/zinc/31/20/62/929312062.db2.gz DOJJDRYQJMASTQ-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001446753722 929312073 /nfs/dbraw/zinc/31/20/73/929312073.db2.gz DOJJDRYQJMASTQ-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446756926 929313597 /nfs/dbraw/zinc/31/35/97/929313597.db2.gz IMVTVJYWAFBMIM-AAEUAGOBSA-N 1 1 312.374 -1.613 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760217 929313832 /nfs/dbraw/zinc/31/38/32/929313832.db2.gz NQEMEFYZJPRBCJ-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCS(C)(=O)=O)C1 ZINC001446760217 929313844 /nfs/dbraw/zinc/31/38/44/929313844.db2.gz NQEMEFYZJPRBCJ-JQWIXIFHSA-N 1 1 308.400 -1.645 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446759510 929314252 /nfs/dbraw/zinc/31/42/52/929314252.db2.gz DTGDJHAKVQMKFD-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446759510 929314262 /nfs/dbraw/zinc/31/42/62/929314262.db2.gz DTGDJHAKVQMKFD-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@]3(O)CC[N@@H+](CCO)C3)cnc21 ZINC001446763616 929314898 /nfs/dbraw/zinc/31/48/98/929314898.db2.gz XXTAXJBAVBQMIX-CQSZACIVSA-N 1 1 320.353 -1.478 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446769341 929315591 /nfs/dbraw/zinc/31/55/91/929315591.db2.gz CSDIRWFDKPLUGN-RISCZKNCSA-N 1 1 324.385 -1.657 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001446763071 929315662 /nfs/dbraw/zinc/31/56/62/929315662.db2.gz SRGMPBWTFGNTHJ-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001446763079 929317922 /nfs/dbraw/zinc/31/79/22/929317922.db2.gz SRGMPBWTFGNTHJ-QMTHXVAHSA-N 1 1 309.370 -1.279 20 0 DAADMO C[C@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446773885 929319424 /nfs/dbraw/zinc/31/94/24/929319424.db2.gz WLYTWXPBULCIFW-JQWIXIFHSA-N 1 1 300.338 -1.026 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446774720 929319738 /nfs/dbraw/zinc/31/97/38/929319738.db2.gz XRGVBHAPHYPAHD-ZDUSSCGKSA-N 1 1 310.358 -1.789 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446774720 929319751 /nfs/dbraw/zinc/31/97/51/929319751.db2.gz XRGVBHAPHYPAHD-ZDUSSCGKSA-N 1 1 310.358 -1.789 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)cn1 ZINC001446783565 929319948 /nfs/dbraw/zinc/31/99/48/929319948.db2.gz PBUFSZVININKEZ-ZDUSSCGKSA-N 1 1 305.342 -1.095 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001446776843 929320159 /nfs/dbraw/zinc/32/01/59/929320159.db2.gz UTNWAQGMYUDSHO-NSHDSACASA-N 1 1 300.340 -1.499 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001446776843 929320165 /nfs/dbraw/zinc/32/01/65/929320165.db2.gz UTNWAQGMYUDSHO-NSHDSACASA-N 1 1 300.340 -1.499 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001446771780 929320581 /nfs/dbraw/zinc/32/05/81/929320581.db2.gz UCDIXCYYYZUNLJ-ZWNOBZJWSA-N 1 1 323.357 -2.543 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001446779663 929320632 /nfs/dbraw/zinc/32/06/32/929320632.db2.gz WULIMPVBIRPZIF-CQSZACIVSA-N 1 1 323.353 -1.975 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001446779663 929320640 /nfs/dbraw/zinc/32/06/40/929320640.db2.gz WULIMPVBIRPZIF-CQSZACIVSA-N 1 1 323.353 -1.975 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446783532 929320821 /nfs/dbraw/zinc/32/08/21/929320821.db2.gz PAJIZFJSMGXSAD-HZMBPMFUSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446783532 929320828 /nfs/dbraw/zinc/32/08/28/929320828.db2.gz PAJIZFJSMGXSAD-HZMBPMFUSA-N 1 1 307.354 -1.227 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001446780147 929320847 /nfs/dbraw/zinc/32/08/47/929320847.db2.gz XRWZNQADMJPXCE-BXUZGUMPSA-N 1 1 314.386 -1.354 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001446789956 929322190 /nfs/dbraw/zinc/32/21/90/929322190.db2.gz FWPOBNSWDVLJOD-IUODEOHRSA-N 1 1 306.366 -1.001 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001446789956 929322195 /nfs/dbraw/zinc/32/21/95/929322195.db2.gz FWPOBNSWDVLJOD-IUODEOHRSA-N 1 1 306.366 -1.001 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791062 929322385 /nfs/dbraw/zinc/32/23/85/929322385.db2.gz RPVYZEQCEVPLEN-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791062 929322393 /nfs/dbraw/zinc/32/23/93/929322393.db2.gz RPVYZEQCEVPLEN-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1noc2c1COCC2 ZINC001446791250 929322476 /nfs/dbraw/zinc/32/24/76/929322476.db2.gz JPUIMZLKMNOELL-AWEZNQCLSA-N 1 1 311.338 -1.094 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n(C)n1 ZINC001446793981 929322827 /nfs/dbraw/zinc/32/28/27/929322827.db2.gz BAYIHKRYGVBPHD-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CCc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n(C)n1 ZINC001446793981 929322838 /nfs/dbraw/zinc/32/28/38/929322838.db2.gz BAYIHKRYGVBPHD-AWEZNQCLSA-N 1 1 309.370 -1.366 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446798732 929323177 /nfs/dbraw/zinc/32/31/77/929323177.db2.gz CBCKAVVHSVHAIB-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446798732 929323198 /nfs/dbraw/zinc/32/31/98/929323198.db2.gz CBCKAVVHSVHAIB-CQSZACIVSA-N 1 1 314.386 -1.813 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001446799861 929323390 /nfs/dbraw/zinc/32/33/90/929323390.db2.gz YFIZYXQSGQWETR-MEBBXXQBSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001446799861 929323400 /nfs/dbraw/zinc/32/34/00/929323400.db2.gz YFIZYXQSGQWETR-MEBBXXQBSA-N 1 1 321.381 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446785932 929323841 /nfs/dbraw/zinc/32/38/41/929323841.db2.gz GEZBFGRKRNYPPE-RISCZKNCSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446785932 929323851 /nfs/dbraw/zinc/32/38/51/929323851.db2.gz GEZBFGRKRNYPPE-RISCZKNCSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)C(C)C ZINC001446795284 929323976 /nfs/dbraw/zinc/32/39/76/929323976.db2.gz JRVVDEJOIQUABR-TZMCWYRMSA-N 1 1 301.387 -1.308 20 0 DAADMO Cn1cnnc1CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446787905 929324025 /nfs/dbraw/zinc/32/40/25/929324025.db2.gz AKWYMGITIYGNIO-WFASDCNBSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001446793081 929325159 /nfs/dbraw/zinc/32/51/59/929325159.db2.gz MLTXCZJHWHRMOW-GXSJLCMTSA-N 1 1 309.363 -1.799 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001446793081 929325170 /nfs/dbraw/zinc/32/51/70/929325170.db2.gz MLTXCZJHWHRMOW-GXSJLCMTSA-N 1 1 309.363 -1.799 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001446798915 929325314 /nfs/dbraw/zinc/32/53/14/929325314.db2.gz CEJQBLILTUVCSU-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3cccnn3)C2)C1=O ZINC001446793905 929325332 /nfs/dbraw/zinc/32/53/32/929325332.db2.gz ACRXVGLFAAOGDP-IUODEOHRSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001446803872 929326045 /nfs/dbraw/zinc/32/60/45/929326045.db2.gz INCNHOBTKOHENC-JSGCOSHPSA-N 1 1 309.370 -1.132 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)c1 ZINC001446805885 929326706 /nfs/dbraw/zinc/32/67/06/929326706.db2.gz KIKSYZKOSNVLBW-CQSZACIVSA-N 1 1 310.354 -1.337 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001446806345 929327128 /nfs/dbraw/zinc/32/71/28/929327128.db2.gz PJXPIVDTHZPZOJ-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001446806345 929327134 /nfs/dbraw/zinc/32/71/34/929327134.db2.gz PJXPIVDTHZPZOJ-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO COCc1nocc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446800507 929327701 /nfs/dbraw/zinc/32/77/01/929327701.db2.gz IWGUXFPFLUIKMM-ZDUSSCGKSA-N 1 1 312.326 -1.527 20 0 DAADMO COCc1nocc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446800507 929327708 /nfs/dbraw/zinc/32/77/08/929327708.db2.gz IWGUXFPFLUIKMM-ZDUSSCGKSA-N 1 1 312.326 -1.527 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001446807487 929327772 /nfs/dbraw/zinc/32/77/72/929327772.db2.gz MIFULYXZMRXPJD-BXUZGUMPSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001446807487 929327781 /nfs/dbraw/zinc/32/77/81/929327781.db2.gz MIFULYXZMRXPJD-BXUZGUMPSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001446807497 929328030 /nfs/dbraw/zinc/32/80/30/929328030.db2.gz MIFULYXZMRXPJD-SMDDNHRTSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001446807497 929328039 /nfs/dbraw/zinc/32/80/39/929328039.db2.gz MIFULYXZMRXPJD-SMDDNHRTSA-N 1 1 322.369 -1.647 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001446825677 929328641 /nfs/dbraw/zinc/32/86/41/929328641.db2.gz BIIARUKBNRWXOS-NXEZZACHSA-N 1 1 300.359 -2.646 20 0 DAADMO C[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001446825677 929328656 /nfs/dbraw/zinc/32/86/56/929328656.db2.gz BIIARUKBNRWXOS-NXEZZACHSA-N 1 1 300.359 -2.646 20 0 DAADMO Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001446830927 929331605 /nfs/dbraw/zinc/33/16/05/929331605.db2.gz XXQRRVVJGLHQOP-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001446830927 929331614 /nfs/dbraw/zinc/33/16/14/929331614.db2.gz XXQRRVVJGLHQOP-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001446836236 929333923 /nfs/dbraw/zinc/33/39/23/929333923.db2.gz MLOZSRFMIDLBIT-JTQLQIEISA-N 1 1 301.343 -1.458 20 0 DAADMO Cn1ncnc1CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001446850477 929336233 /nfs/dbraw/zinc/33/62/33/929336233.db2.gz RLDVAUQDZBPKBM-LBPRGKRZSA-N 1 1 322.413 -1.038 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446850230 929337483 /nfs/dbraw/zinc/33/74/83/929337483.db2.gz QCSZROWBFFJVCB-VXGBXAGGSA-N 1 1 312.414 -1.103 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN([C@H]2CCN(C)C2=O)C1 ZINC001446855242 929338395 /nfs/dbraw/zinc/33/83/95/929338395.db2.gz QIDCIFDDOWFATR-LBPRGKRZSA-N 1 1 321.381 -1.415 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001446858725 929340134 /nfs/dbraw/zinc/34/01/34/929340134.db2.gz SWHWEKBXPRHJFS-UHFFFAOYSA-N 1 1 305.400 -1.501 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001446898041 929349500 /nfs/dbraw/zinc/34/95/00/929349500.db2.gz MMXZHNYDBDLLAR-NSHDSACASA-N 1 1 314.386 -1.366 20 0 DAADMO C[N@H+](CC(=O)NCC1(O)CN(CC(N)=O)C1)Cc1ccccc1 ZINC001446922953 929352258 /nfs/dbraw/zinc/35/22/58/929352258.db2.gz FAQOMFZGRAHLDC-UHFFFAOYSA-N 1 1 320.393 -1.233 20 0 DAADMO C[N@@H+](CC(=O)NCC1(O)CN(CC(N)=O)C1)Cc1ccccc1 ZINC001446922953 929352267 /nfs/dbraw/zinc/35/22/67/929352267.db2.gz FAQOMFZGRAHLDC-UHFFFAOYSA-N 1 1 320.393 -1.233 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001446929865 929353504 /nfs/dbraw/zinc/35/35/04/929353504.db2.gz XUMCKPKUEBSGQQ-TUAOUCFPSA-N 1 1 319.427 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)C1 ZINC001446915143 929353616 /nfs/dbraw/zinc/35/36/16/929353616.db2.gz VSYQEQADBFBDTC-NSHDSACASA-N 1 1 310.398 -1.620 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CC(=O)NC3CC3)C2)C1 ZINC001446915119 929353647 /nfs/dbraw/zinc/35/36/47/929353647.db2.gz VSYQEQADBFBDTC-LLVKDONJSA-N 1 1 310.398 -1.620 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)COC)C[C@H]2C1 ZINC001446961973 929355580 /nfs/dbraw/zinc/35/55/80/929355580.db2.gz BEYOXPCDYXSLQE-GARJFASQSA-N 1 1 312.370 -1.133 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]2C1 ZINC001446979077 929356284 /nfs/dbraw/zinc/35/62/84/929356284.db2.gz AENMBQCLLZSJDJ-UTUOFQBUSA-N 1 1 324.381 -1.002 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001447006032 929358252 /nfs/dbraw/zinc/35/82/52/929358252.db2.gz IUBIQEPLAXHTPO-IAQYHMDHSA-N 1 1 313.398 -1.164 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CNC(=O)C2CC2)C1 ZINC001447006037 929359541 /nfs/dbraw/zinc/35/95/41/929359541.db2.gz IUBIQEPLAXHTPO-XHDPSFHLSA-N 1 1 313.398 -1.164 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001447005739 929359886 /nfs/dbraw/zinc/35/98/86/929359886.db2.gz VMBFQFWCAIEZON-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)n1 ZINC001447034881 929362147 /nfs/dbraw/zinc/36/21/47/929362147.db2.gz MYTYNWFBYVVFHV-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001447011162 929362180 /nfs/dbraw/zinc/36/21/80/929362180.db2.gz MMSOWSHBPIBEHL-OAHLLOKOSA-N 1 1 312.414 -1.230 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)n1 ZINC001447034395 929362277 /nfs/dbraw/zinc/36/22/77/929362277.db2.gz MYTYNWFBYVVFHV-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)NC1=O ZINC001447012006 929362927 /nfs/dbraw/zinc/36/29/27/929362927.db2.gz NWAZESPIJJRWKA-ZWNOBZJWSA-N 1 1 300.359 -2.055 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)NC1=O ZINC001447012000 929363048 /nfs/dbraw/zinc/36/30/48/929363048.db2.gz NWAZESPIJJRWKA-GWCFXTLKSA-N 1 1 300.359 -2.055 20 0 DAADMO O=C(Cc1ccn[nH]1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001447050544 929364804 /nfs/dbraw/zinc/36/48/04/929364804.db2.gz IAKXIHAUXTXKLF-LBPRGKRZSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(Cc1ccn[nH]1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001447050540 929365347 /nfs/dbraw/zinc/36/53/47/929365347.db2.gz IAKXIHAUXTXKLF-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCNC(N)=O ZINC001447046792 929365962 /nfs/dbraw/zinc/36/59/62/929365962.db2.gz UZVZFSDHALMHFJ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ncccn1)c1nnnn1C ZINC001447055982 929367529 /nfs/dbraw/zinc/36/75/29/929367529.db2.gz PQRYNMCLSAEZDF-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001447063121 929367914 /nfs/dbraw/zinc/36/79/14/929367914.db2.gz XYXKIHBOPFNMNL-UTUOFQBUSA-N 1 1 321.381 -1.188 20 0 DAADMO C[N@H+](CC(N)=O)Cc1ccccc1CNC(=O)[C@H]1CNC(=O)N1 ZINC001447074758 929369681 /nfs/dbraw/zinc/36/96/81/929369681.db2.gz CUQFLJYXGZCQMU-GFCCVEGCSA-N 1 1 319.365 -1.099 20 0 DAADMO C[N@@H+](CC(N)=O)Cc1ccccc1CNC(=O)[C@H]1CNC(=O)N1 ZINC001447074758 929369692 /nfs/dbraw/zinc/36/96/92/929369692.db2.gz CUQFLJYXGZCQMU-GFCCVEGCSA-N 1 1 319.365 -1.099 20 0 DAADMO Cn1nnc(C(=O)N[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001447157157 929372889 /nfs/dbraw/zinc/37/28/89/929372889.db2.gz HZMIMQQRQHZXIJ-QWRGUYRKSA-N 1 1 321.385 -1.214 20 0 DAADMO Cc1nnc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CCC2)[nH]1 ZINC001447203333 929376965 /nfs/dbraw/zinc/37/69/65/929376965.db2.gz ZNAPKVQBUIOBQI-UHFFFAOYSA-N 1 1 305.346 -1.072 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001447289662 929380494 /nfs/dbraw/zinc/38/04/94/929380494.db2.gz YMIOITCCZPJILB-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001447294473 929381097 /nfs/dbraw/zinc/38/10/97/929381097.db2.gz AHQNYOZIQPDPEH-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001447289664 929381656 /nfs/dbraw/zinc/38/16/56/929381656.db2.gz YMIOITCCZPJILB-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447310499 929384974 /nfs/dbraw/zinc/38/49/74/929384974.db2.gz RYXRYAKQSDFNDI-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001447297176 929385493 /nfs/dbraw/zinc/38/54/93/929385493.db2.gz ABXPRVRDTCYFRC-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001447338297 929386719 /nfs/dbraw/zinc/38/67/19/929386719.db2.gz ZPIBOTKGKPAVEV-UHFFFAOYSA-N 1 1 309.370 -1.080 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCN(C)C(=O)c1cn[nH]n1 ZINC001447343627 929387828 /nfs/dbraw/zinc/38/78/28/929387828.db2.gz PXXOPHDKYNILPA-MRVPVSSYSA-N 1 1 311.346 -1.218 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001447412737 929391256 /nfs/dbraw/zinc/39/12/56/929391256.db2.gz XZFOOZOOHRASOY-GHMZBOCLSA-N 1 1 324.385 -1.056 20 0 DAADMO CCCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001447457086 929392224 /nfs/dbraw/zinc/39/22/24/929392224.db2.gz FBUUWHQHZIYTNE-AWEZNQCLSA-N 1 1 324.385 -1.112 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447526171 929397733 /nfs/dbraw/zinc/39/77/33/929397733.db2.gz LSROWNAAPOYXJS-GARJFASQSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001447564715 929398804 /nfs/dbraw/zinc/39/88/04/929398804.db2.gz JZDNMEHXABNABR-ZJUUUORDSA-N 1 1 309.374 -1.190 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001447588586 929401268 /nfs/dbraw/zinc/40/12/68/929401268.db2.gz NNFXDZDTCONQBX-UHFFFAOYSA-N 1 1 320.415 -2.644 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001447631931 929403440 /nfs/dbraw/zinc/40/34/40/929403440.db2.gz KRXOGHQQUCFWSF-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001447631931 929403445 /nfs/dbraw/zinc/40/34/45/929403445.db2.gz KRXOGHQQUCFWSF-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001447650878 929403737 /nfs/dbraw/zinc/40/37/37/929403737.db2.gz HERDGLYRCSARMW-CMPLNLGQSA-N 1 1 322.431 -1.610 20 0 DAADMO C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001447718756 929407490 /nfs/dbraw/zinc/40/74/90/929407490.db2.gz AGTYDPXGSITCTK-MNOVXSKESA-N 1 1 322.427 -1.257 20 0 DAADMO Cc1nnc(CC(=O)NC2(CO)CC[NH+]([C@H](C)C(N)=O)CC2)[nH]1 ZINC001447715386 929407781 /nfs/dbraw/zinc/40/77/81/929407781.db2.gz HYMALDOIXWGYBS-SECBINFHSA-N 1 1 324.385 -1.527 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+](Cc2cncn2C)CC1 ZINC001447694616 929408106 /nfs/dbraw/zinc/40/81/06/929408106.db2.gz IQSUWYMGYDJNCB-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001447737196 929409686 /nfs/dbraw/zinc/40/96/86/929409686.db2.gz FVZISJWYJXFSEJ-LLVKDONJSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001447724973 929410447 /nfs/dbraw/zinc/41/04/47/929410447.db2.gz YQBCAIPCKUIMSC-VIFPVBQESA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCC(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001447722605 929410639 /nfs/dbraw/zinc/41/06/39/929410639.db2.gz OKUUZNFGNVTHJK-SECBINFHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001447725563 929410674 /nfs/dbraw/zinc/41/06/74/929410674.db2.gz HRISAOVAUCSAII-IINYFYTJSA-N 1 1 317.361 -1.068 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447784241 929411221 /nfs/dbraw/zinc/41/12/21/929411221.db2.gz QSYCTXVZVJVJEP-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447784241 929411229 /nfs/dbraw/zinc/41/12/29/929411229.db2.gz QSYCTXVZVJVJEP-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCO)c1=O ZINC001447761103 929411368 /nfs/dbraw/zinc/41/13/68/929411368.db2.gz QHOPXKXHCOCEQE-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001447784676 929411745 /nfs/dbraw/zinc/41/17/45/929411745.db2.gz LKNSFQKJGFGPHD-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001447784676 929411757 /nfs/dbraw/zinc/41/17/57/929411757.db2.gz LKNSFQKJGFGPHD-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001447771886 929412398 /nfs/dbraw/zinc/41/23/98/929412398.db2.gz NATVXCIXLNAXOX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001447771886 929412404 /nfs/dbraw/zinc/41/24/04/929412404.db2.gz NATVXCIXLNAXOX-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857537 929415461 /nfs/dbraw/zinc/41/54/61/929415461.db2.gz VRPSTSNTJULQQO-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857537 929415466 /nfs/dbraw/zinc/41/54/66/929415466.db2.gz VRPSTSNTJULQQO-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)[nH]1 ZINC001447840805 929415830 /nfs/dbraw/zinc/41/58/30/929415830.db2.gz FZAVBOAGQVJGKH-HTQZYQBOSA-N 1 1 307.362 -1.138 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nonc1C ZINC001447940394 929419251 /nfs/dbraw/zinc/41/92/51/929419251.db2.gz RELKKEZXGSHLGQ-HTQZYQBOSA-N 1 1 319.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001447955186 929420562 /nfs/dbraw/zinc/42/05/62/929420562.db2.gz LNZDNZCVGQVBKQ-JTQLQIEISA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C1=COCCO1 ZINC001447982309 929421214 /nfs/dbraw/zinc/42/12/14/929421214.db2.gz IHSVXPKMNBOYPF-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C1=COCCO1 ZINC001447982309 929421219 /nfs/dbraw/zinc/42/12/19/929421219.db2.gz IHSVXPKMNBOYPF-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001447952593 929421280 /nfs/dbraw/zinc/42/12/80/929421280.db2.gz GFSFBWSUQAUFGW-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CC(=O)NC(N)=O ZINC001448013466 929422943 /nfs/dbraw/zinc/42/29/43/929422943.db2.gz FPOVYDUWQDXVRO-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001448009137 929423213 /nfs/dbraw/zinc/42/32/13/929423213.db2.gz VWCDRXIIPJQLBB-GWCFXTLKSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001448013907 929423332 /nfs/dbraw/zinc/42/33/32/929423332.db2.gz HLBUPZFZIMVUFS-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001448013907 929423337 /nfs/dbraw/zinc/42/33/37/929423337.db2.gz HLBUPZFZIMVUFS-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001448033580 929425213 /nfs/dbraw/zinc/42/52/13/929425213.db2.gz GQOGEVJMTYBRME-VHSXEESVSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001448033580 929425223 /nfs/dbraw/zinc/42/52/23/929425223.db2.gz GQOGEVJMTYBRME-VHSXEESVSA-N 1 1 301.391 -1.171 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001448027152 929425420 /nfs/dbraw/zinc/42/54/20/929425420.db2.gz BHLOMNQTJBYMNP-WDEREUQCSA-N 1 1 324.447 -1.458 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001448027368 929426307 /nfs/dbraw/zinc/42/63/07/929426307.db2.gz BLDICKPLURMRAS-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001448027368 929426316 /nfs/dbraw/zinc/42/63/16/929426316.db2.gz BLDICKPLURMRAS-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448061688 929427831 /nfs/dbraw/zinc/42/78/31/929427831.db2.gz DRRGQJINMVDPFA-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448061688 929427836 /nfs/dbraw/zinc/42/78/36/929427836.db2.gz DRRGQJINMVDPFA-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001448059161 929428620 /nfs/dbraw/zinc/42/86/20/929428620.db2.gz BXASFJNYQOSFDD-VIFPVBQESA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@H+](C)CCCO ZINC001448069450 929428935 /nfs/dbraw/zinc/42/89/35/929428935.db2.gz NWHUESVOGFEXDB-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)CCCO ZINC001448069450 929428939 /nfs/dbraw/zinc/42/89/39/929428939.db2.gz NWHUESVOGFEXDB-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448079005 929429055 /nfs/dbraw/zinc/42/90/55/929429055.db2.gz MIWLUBPBSICWKY-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448079005 929429059 /nfs/dbraw/zinc/42/90/59/929429059.db2.gz MIWLUBPBSICWKY-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(F)CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001448076362 929429124 /nfs/dbraw/zinc/42/91/24/929429124.db2.gz CYGAQGCCABJKJQ-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(F)CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448076362 929429128 /nfs/dbraw/zinc/42/91/28/929429128.db2.gz CYGAQGCCABJKJQ-QPUJVOFHSA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001448088878 929430934 /nfs/dbraw/zinc/43/09/34/929430934.db2.gz LNJKPRKICIDZPU-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001448137246 929432142 /nfs/dbraw/zinc/43/21/42/929432142.db2.gz ZQLJLCOSKJXOMH-MRVPVSSYSA-N 1 1 306.330 -1.350 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)c1ccccn1 ZINC001448149936 929432640 /nfs/dbraw/zinc/43/26/40/929432640.db2.gz YSZPDZZKUOCJHR-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)c1ccccn1 ZINC001448149936 929432646 /nfs/dbraw/zinc/43/26/46/929432646.db2.gz YSZPDZZKUOCJHR-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001448136812 929432946 /nfs/dbraw/zinc/43/29/46/929432946.db2.gz UCOVWTIJTYFIJH-YGRLFVJLSA-N 1 1 321.385 -1.070 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448175840 929436627 /nfs/dbraw/zinc/43/66/27/929436627.db2.gz OVIDJEOQINAAPQ-UWVGGRQHSA-N 1 1 307.354 -1.044 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448175841 929437537 /nfs/dbraw/zinc/43/75/37/929437537.db2.gz OVIDJEOQINAAPQ-VHSXEESVSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001448171885 929437616 /nfs/dbraw/zinc/43/76/16/929437616.db2.gz PRKGQYDAJSUZTC-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001448283815 929444403 /nfs/dbraw/zinc/44/44/03/929444403.db2.gz ZLWJKLAJCDEKAF-ONGXEEELSA-N 1 1 307.358 -1.660 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1 ZINC001448295175 929444485 /nfs/dbraw/zinc/44/44/85/929444485.db2.gz MYWQVNCMVISCMP-RYUDHWBXSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001448273388 929444729 /nfs/dbraw/zinc/44/47/29/929444729.db2.gz LZUVKQLIDWDAHZ-SNVBAGLBSA-N 1 1 321.385 -1.364 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448303357 929444909 /nfs/dbraw/zinc/44/49/09/929444909.db2.gz KORXGEDAAOSFHE-HTQZYQBOSA-N 1 1 321.403 -2.650 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448299321 929445145 /nfs/dbraw/zinc/44/51/45/929445145.db2.gz RIYORPYHLSNWTB-DGCLKSJQSA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001448278339 929445644 /nfs/dbraw/zinc/44/56/44/929445644.db2.gz SLKXOXAITUDPTG-SECBINFHSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448308529 929446349 /nfs/dbraw/zinc/44/63/49/929446349.db2.gz HVNKOUBMWMWZJL-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001448405035 929450982 /nfs/dbraw/zinc/45/09/82/929450982.db2.gz YEDGDFMSOYCZPH-CNDDSTCGSA-N 1 1 324.381 -2.115 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001448405035 929450992 /nfs/dbraw/zinc/45/09/92/929450992.db2.gz YEDGDFMSOYCZPH-CNDDSTCGSA-N 1 1 324.381 -2.115 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001448428730 929451196 /nfs/dbraw/zinc/45/11/96/929451196.db2.gz RTWSPOVIGUIHRZ-FIQHERPVSA-N 1 1 323.397 -1.431 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnns3)[C@@H]2C1 ZINC001448415966 929451551 /nfs/dbraw/zinc/45/15/51/929451551.db2.gz NBHXULAOKDYDAB-WHUPJOBBSA-N 1 1 324.366 -1.359 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)NC)[C@@H]2C1 ZINC001448417739 929451657 /nfs/dbraw/zinc/45/16/57/929451657.db2.gz GJXNGTKCVMOENX-RTCCRHLQSA-N 1 1 311.386 -1.655 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001448442658 929452799 /nfs/dbraw/zinc/45/27/99/929452799.db2.gz BPXZJIZTIQMDEW-YFKTTZPYSA-N 1 1 306.370 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001448432840 929453091 /nfs/dbraw/zinc/45/30/91/929453091.db2.gz XCWIRJLQQJJKFU-FIQHERPVSA-N 1 1 306.370 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001448436311 929453346 /nfs/dbraw/zinc/45/33/46/929453346.db2.gz QYSFWDJCUGWJDO-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001448470501 929455113 /nfs/dbraw/zinc/45/51/13/929455113.db2.gz SRBOPOYLOMEYOA-WPRPVWTQSA-N 1 1 311.342 -1.570 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001448482106 929456552 /nfs/dbraw/zinc/45/65/52/929456552.db2.gz YANWIODAVSOKII-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001448476730 929456661 /nfs/dbraw/zinc/45/66/61/929456661.db2.gz VIWAYJYHTPTADG-UHFFFAOYSA-N 1 1 321.341 -1.462 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001448476730 929456667 /nfs/dbraw/zinc/45/66/67/929456667.db2.gz VIWAYJYHTPTADG-UHFFFAOYSA-N 1 1 321.341 -1.462 20 0 DAADMO C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448498880 929457100 /nfs/dbraw/zinc/45/71/00/929457100.db2.gz DQWDDNCCYIPFDD-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448498880 929457109 /nfs/dbraw/zinc/45/71/09/929457109.db2.gz DQWDDNCCYIPFDD-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001448480651 929457156 /nfs/dbraw/zinc/45/71/56/929457156.db2.gz IBKFMCIIUDOKKK-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001448480651 929457163 /nfs/dbraw/zinc/45/71/63/929457163.db2.gz IBKFMCIIUDOKKK-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001448518030 929457408 /nfs/dbraw/zinc/45/74/08/929457408.db2.gz UHWUPMFXWMILDP-UHFFFAOYSA-N 1 1 324.345 -2.209 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001448553242 929458720 /nfs/dbraw/zinc/45/87/20/929458720.db2.gz NCMVCYCWGQZXOC-UHFFFAOYSA-N 1 1 306.388 -2.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001448630336 929460997 /nfs/dbraw/zinc/46/09/97/929460997.db2.gz VSDFESHYIBKVIS-MWLCHTKSSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@@H](CN(C)C(=O)Cc1ccn[nH]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448635615 929461039 /nfs/dbraw/zinc/46/10/39/929461039.db2.gz HTPYWAWGBIYPFX-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CN(C)C(=O)Cc1ccn[nH]1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001448635611 929461926 /nfs/dbraw/zinc/46/19/26/929461926.db2.gz HTPYWAWGBIYPFX-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+][C@H](C)c1nnnn1C ZINC001448639958 929462034 /nfs/dbraw/zinc/46/20/34/929462034.db2.gz BEDVCLYIAUXONH-RKDXNWHRSA-N 1 1 318.403 -1.248 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001448667814 929462807 /nfs/dbraw/zinc/46/28/07/929462807.db2.gz BWAXUGUSSBMLIH-VHSXEESVSA-N 1 1 309.374 -1.375 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448695043 929463347 /nfs/dbraw/zinc/46/33/47/929463347.db2.gz FZKQTTZMGIJASA-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448695043 929463354 /nfs/dbraw/zinc/46/33/54/929463354.db2.gz FZKQTTZMGIJASA-SNVBAGLBSA-N 1 1 311.346 -2.422 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001448740492 929467037 /nfs/dbraw/zinc/46/70/37/929467037.db2.gz UDAAUZCWPALQTN-ZJUUUORDSA-N 1 1 324.389 -1.299 20 0 DAADMO Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001448780181 929471183 /nfs/dbraw/zinc/47/11/83/929471183.db2.gz GPGMYYKJJGZXOG-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001448780181 929471193 /nfs/dbraw/zinc/47/11/93/929471193.db2.gz GPGMYYKJJGZXOG-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001448780529 929471489 /nfs/dbraw/zinc/47/14/89/929471489.db2.gz SNGCVBAOYAOBMK-VIFPVBQESA-N 1 1 320.357 -1.446 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001448779010 929471959 /nfs/dbraw/zinc/47/19/59/929471959.db2.gz LDQQUVZLBSRZGQ-NXEZZACHSA-N 1 1 301.343 -1.763 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC001448776710 929472045 /nfs/dbraw/zinc/47/20/45/929472045.db2.gz GBGQACFVICHJMJ-ZDUSSCGKSA-N 1 1 301.343 -1.761 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001448782239 929472552 /nfs/dbraw/zinc/47/25/52/929472552.db2.gz PCYMJLOFOSGMNO-SNVBAGLBSA-N 1 1 321.389 -1.092 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)n1cccn1 ZINC001448815375 929477304 /nfs/dbraw/zinc/47/73/04/929477304.db2.gz JSCSUMQFTBSTNM-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)n1cccn1 ZINC001448815377 929477985 /nfs/dbraw/zinc/47/79/85/929477985.db2.gz JSCSUMQFTBSTNM-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448817245 929478378 /nfs/dbraw/zinc/47/83/78/929478378.db2.gz NFOJCKZKPUWSOC-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001448820435 929479684 /nfs/dbraw/zinc/47/96/84/929479684.db2.gz QVUYULZZGGWBFP-QMMMGPOBSA-N 1 1 300.319 -2.262 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)c2N)nn1C ZINC001448819500 929481063 /nfs/dbraw/zinc/48/10/63/929481063.db2.gz QNGNTXFGZGQGFL-NSHDSACASA-N 1 1 321.385 -1.075 20 0 DAADMO CN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448824169 929481973 /nfs/dbraw/zinc/48/19/73/929481973.db2.gz UWBOYUVZAQWKOY-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448824169 929481981 /nfs/dbraw/zinc/48/19/81/929481981.db2.gz UWBOYUVZAQWKOY-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448824161 929482439 /nfs/dbraw/zinc/48/24/39/929482439.db2.gz UWBOYUVZAQWKOY-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1cnnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448824161 929482441 /nfs/dbraw/zinc/48/24/41/929482441.db2.gz UWBOYUVZAQWKOY-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001448830046 929485756 /nfs/dbraw/zinc/48/57/56/929485756.db2.gz OUFJSTMSZDZCMK-QWRGUYRKSA-N 1 1 309.326 -1.540 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001448833300 929486300 /nfs/dbraw/zinc/48/63/00/929486300.db2.gz KAJPUISJOOTEBJ-MNOVXSKESA-N 1 1 310.354 -1.060 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001448833312 929486427 /nfs/dbraw/zinc/48/64/27/929486427.db2.gz KAJPUISJOOTEBJ-WDEREUQCSA-N 1 1 310.354 -1.060 20 0 DAADMO CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001448830009 929486581 /nfs/dbraw/zinc/48/65/81/929486581.db2.gz KMTUNCFCGAAGLS-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448833551 929486843 /nfs/dbraw/zinc/48/68/43/929486843.db2.gz CJYXKNHHMBIHAC-CHWSQXEVSA-N 1 1 312.414 -1.469 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)nnn1C ZINC001448829434 929487231 /nfs/dbraw/zinc/48/72/31/929487231.db2.gz JSKHQUCWEIBFHV-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448836645 929488365 /nfs/dbraw/zinc/48/83/65/929488365.db2.gz OMAUAVYHDPOOJY-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001448846977 929492367 /nfs/dbraw/zinc/49/23/67/929492367.db2.gz UNPKTJRQKZDQFQ-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001448844162 929492649 /nfs/dbraw/zinc/49/26/49/929492649.db2.gz PEUOPAHRTASAHB-SNVBAGLBSA-N 1 1 323.397 -1.356 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)n[nH]1 ZINC001448842580 929493525 /nfs/dbraw/zinc/49/35/25/929493525.db2.gz WUJBRURLDVXTRW-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccn(C)n2)CC1=O ZINC001448849162 929495112 /nfs/dbraw/zinc/49/51/12/929495112.db2.gz RERCQZITQYKESP-DGCLKSJQSA-N 1 1 323.397 -1.145 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccn(C)n2)CC1=O ZINC001448849164 929495260 /nfs/dbraw/zinc/49/52/60/929495260.db2.gz RERCQZITQYKESP-YPMHNXCESA-N 1 1 323.397 -1.145 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccn(C)n2)CC1=O ZINC001448849163 929495629 /nfs/dbraw/zinc/49/56/29/929495629.db2.gz RERCQZITQYKESP-WCQYABFASA-N 1 1 323.397 -1.145 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001448853483 929495740 /nfs/dbraw/zinc/49/57/40/929495740.db2.gz BWTQTZPKMVUHSY-NWDGAFQWSA-N 1 1 300.403 -1.341 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001448855447 929496949 /nfs/dbraw/zinc/49/69/49/929496949.db2.gz ZQZBFHKNTABFKX-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001448862871 929499261 /nfs/dbraw/zinc/49/92/61/929499261.db2.gz USZGHYNGYYGQDI-JQWIXIFHSA-N 1 1 309.370 -1.487 20 0 DAADMO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1[nH]nc2c1CCC2 ZINC001448867588 929499973 /nfs/dbraw/zinc/49/99/73/929499973.db2.gz UIOYLCRNHVRHIZ-VHSXEESVSA-N 1 1 312.370 -1.414 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC001448862870 929500427 /nfs/dbraw/zinc/50/04/27/929500427.db2.gz USZGHYNGYYGQDI-CMPLNLGQSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCNC(=O)C2)n1 ZINC001448880014 929504003 /nfs/dbraw/zinc/50/40/03/929504003.db2.gz MXCBQDKXMDFRIK-WFASDCNBSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@]2(C)CCNC(=O)C2)n1 ZINC001448878711 929505226 /nfs/dbraw/zinc/50/52/26/929505226.db2.gz MXCBQDKXMDFRIK-DOMZBBRYSA-N 1 1 323.397 -1.097 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)o1 ZINC001448882192 929505881 /nfs/dbraw/zinc/50/58/81/929505881.db2.gz GQIIQWHNNJDCEL-MWLCHTKSSA-N 1 1 311.342 -1.427 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448883383 929506551 /nfs/dbraw/zinc/50/65/51/929506551.db2.gz KQJBQSPKRXZATB-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001448890868 929508278 /nfs/dbraw/zinc/50/82/78/929508278.db2.gz PLANYIMKIDULAR-RYUDHWBXSA-N 1 1 324.385 -1.288 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001448890862 929508474 /nfs/dbraw/zinc/50/84/74/929508474.db2.gz PLANYIMKIDULAR-NWDGAFQWSA-N 1 1 324.385 -1.288 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001448892666 929509027 /nfs/dbraw/zinc/50/90/27/929509027.db2.gz RUDJVQIWWCDZFC-VXGBXAGGSA-N 1 1 324.385 -1.507 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCC3)n1 ZINC001448892235 929509488 /nfs/dbraw/zinc/50/94/88/929509488.db2.gz JKWBQDGQPBOIAN-SNVBAGLBSA-N 1 1 320.357 -1.767 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)Cn2cnnn2)CC[N@H+]1C ZINC001448895047 929510446 /nfs/dbraw/zinc/51/04/46/929510446.db2.gz SFHYGPCQVJKETE-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001448913138 929513957 /nfs/dbraw/zinc/51/39/57/929513957.db2.gz VMLUCLWQGKQLBT-QWRGUYRKSA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913138 929513964 /nfs/dbraw/zinc/51/39/64/929513964.db2.gz VMLUCLWQGKQLBT-QWRGUYRKSA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C(N)=O ZINC001448913124 929514154 /nfs/dbraw/zinc/51/41/54/929514154.db2.gz VMLUCLWQGKQLBT-GHMZBOCLSA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(N)=O ZINC001448913124 929514164 /nfs/dbraw/zinc/51/41/64/929514164.db2.gz VMLUCLWQGKQLBT-GHMZBOCLSA-N 1 1 302.419 -1.095 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1 ZINC001448915313 929514730 /nfs/dbraw/zinc/51/47/30/929514730.db2.gz YRMUSBVHMSVMDL-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO CNC(=O)CN[C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001448922087 929517275 /nfs/dbraw/zinc/51/72/75/929517275.db2.gz ODLVDTZGSYLMHM-LLVKDONJSA-N 1 1 316.402 -2.090 20 0 DAADMO CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001448938539 929520087 /nfs/dbraw/zinc/52/00/87/929520087.db2.gz RXIOCXJGAVFWNL-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001448945945 929522119 /nfs/dbraw/zinc/52/21/19/929522119.db2.gz BPDPNHPDKANMMJ-SNVBAGLBSA-N 1 1 317.390 -2.151 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001448945945 929522128 /nfs/dbraw/zinc/52/21/28/929522128.db2.gz BPDPNHPDKANMMJ-SNVBAGLBSA-N 1 1 317.390 -2.151 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]nc2ccccc21 ZINC001448946808 929523573 /nfs/dbraw/zinc/52/35/73/929523573.db2.gz FQBXSMGPKUEGJC-SNVBAGLBSA-N 1 1 319.365 -1.082 20 0 DAADMO NC(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001448943496 929523588 /nfs/dbraw/zinc/52/35/88/929523588.db2.gz XXSXNFLQDCHMTK-ZDUSSCGKSA-N 1 1 312.414 -1.340 20 0 DAADMO CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]nc2ccccc21 ZINC001448946795 929523725 /nfs/dbraw/zinc/52/37/25/929523725.db2.gz FQBXSMGPKUEGJC-JTQLQIEISA-N 1 1 319.365 -1.082 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@H](C)C(=O)NC(N)=O ZINC001448953157 929524587 /nfs/dbraw/zinc/52/45/87/929524587.db2.gz VFSDOTAGKHEXCW-NXEZZACHSA-N 1 1 317.390 -2.023 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H](C)C(=O)NC(N)=O ZINC001448953157 929524590 /nfs/dbraw/zinc/52/45/90/929524590.db2.gz VFSDOTAGKHEXCW-NXEZZACHSA-N 1 1 317.390 -2.023 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnoc1C ZINC001448957118 929525335 /nfs/dbraw/zinc/52/53/35/929525335.db2.gz WUOBHVKJBSNHCJ-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001448954918 929525867 /nfs/dbraw/zinc/52/58/67/929525867.db2.gz OQLNJMDOUNFECH-SSDOTTSWSA-N 1 1 323.400 -2.346 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnoc1C ZINC001448957113 929526198 /nfs/dbraw/zinc/52/61/98/929526198.db2.gz WUOBHVKJBSNHCJ-LLVKDONJSA-N 1 1 319.383 -1.016 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1nncn1C ZINC001448957411 929527146 /nfs/dbraw/zinc/52/71/46/929527146.db2.gz RVVNOGZMRZQFGJ-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@@H]1[C@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001448975263 929527838 /nfs/dbraw/zinc/52/78/38/929527838.db2.gz HIZKMYYXRQXJQZ-NXEZZACHSA-N 1 1 315.399 -1.029 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001448969370 929528167 /nfs/dbraw/zinc/52/81/67/929528167.db2.gz CFAUCKNVOQYICR-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001448969372 929528684 /nfs/dbraw/zinc/52/86/84/929528684.db2.gz CFAUCKNVOQYICR-WCBMZHEXSA-N 1 1 308.342 -1.274 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CCn3cnnn3)CCC[C@H]12 ZINC001449011720 929530297 /nfs/dbraw/zinc/53/02/97/929530297.db2.gz JUEFIGSXPCIIFG-SMDDNHRTSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C[C@H]1C ZINC001448992739 929531097 /nfs/dbraw/zinc/53/10/97/929531097.db2.gz FCXAIQWTJHWPCH-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001449019689 929531902 /nfs/dbraw/zinc/53/19/02/929531902.db2.gz ZGJWBIXPHMGVPI-BXUZGUMPSA-N 1 1 321.385 -1.078 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CCF)[C@H]1C ZINC001449035472 929532745 /nfs/dbraw/zinc/53/27/45/929532745.db2.gz LDRUVSPSFCQGRK-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCF)[C@H]1C ZINC001449035472 929532757 /nfs/dbraw/zinc/53/27/57/929532757.db2.gz LDRUVSPSFCQGRK-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001449062196 929535633 /nfs/dbraw/zinc/53/56/33/929535633.db2.gz AOSWNSVVRFGUJD-VHSXEESVSA-N 1 1 308.338 -1.233 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001449088409 929538026 /nfs/dbraw/zinc/53/80/26/929538026.db2.gz GTKAZNGTZHEETH-ZYHUDNBSSA-N 1 1 309.370 -1.090 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001449092915 929538147 /nfs/dbraw/zinc/53/81/47/929538147.db2.gz KRVFZTQREXLFAS-MNOVXSKESA-N 1 1 300.359 -1.252 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449095051 929538167 /nfs/dbraw/zinc/53/81/67/929538167.db2.gz GBZYFSXUEKUADE-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001449096432 929538383 /nfs/dbraw/zinc/53/83/83/929538383.db2.gz QYIMEHTZYORDOZ-MRVPVSSYSA-N 1 1 315.334 -2.525 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)CS(C)(=O)=O ZINC001449090233 929538492 /nfs/dbraw/zinc/53/84/92/929538492.db2.gz DCNXBWIDABHYHI-QMMMGPOBSA-N 1 1 322.412 -1.508 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccoc1 ZINC001449103069 929539726 /nfs/dbraw/zinc/53/97/26/929539726.db2.gz ADBOWZNIHKKMSW-LLVKDONJSA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)[C@@H]1CCOC1 ZINC001449104939 929540400 /nfs/dbraw/zinc/54/04/00/929540400.db2.gz CVSADIGHGYJGEM-PWSUYJOCSA-N 1 1 324.385 -1.047 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)Cc1cc[nH]n1 ZINC001449105571 929541683 /nfs/dbraw/zinc/54/16/83/929541683.db2.gz SETNJLZNXVDICK-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)cnn1 ZINC001449112513 929542129 /nfs/dbraw/zinc/54/21/29/929542129.db2.gz NKMJFIBYBOZGCG-LLVKDONJSA-N 1 1 320.357 -1.469 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)n1 ZINC001449117741 929544708 /nfs/dbraw/zinc/54/47/08/929544708.db2.gz JAAHBVCFMGENMT-SNVBAGLBSA-N 1 1 309.330 -1.096 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001449119411 929544932 /nfs/dbraw/zinc/54/49/32/929544932.db2.gz MGCKWILAAUTQMF-SNVBAGLBSA-N 1 1 323.357 -1.342 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)o1 ZINC001449119406 929545027 /nfs/dbraw/zinc/54/50/27/929545027.db2.gz MGCKWILAAUTQMF-JTQLQIEISA-N 1 1 323.357 -1.342 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC1(O)CCC1 ZINC001449122133 929545840 /nfs/dbraw/zinc/54/58/40/929545840.db2.gz KALOYHKRCXJPOL-SNVBAGLBSA-N 1 1 312.374 -1.576 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCCC(=O)N1 ZINC001449125192 929546756 /nfs/dbraw/zinc/54/67/56/929546756.db2.gz KOAZWBHNCJXZEL-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nccs1 ZINC001449132652 929548176 /nfs/dbraw/zinc/54/81/76/929548176.db2.gz DQEOTJQSVRDEKL-SECBINFHSA-N 1 1 315.399 -1.019 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]2CCNC2=O)[nH]1 ZINC001449131240 929549834 /nfs/dbraw/zinc/54/98/34/929549834.db2.gz DPMQTVPQJGAWQR-GHMZBOCLSA-N 1 1 324.385 -1.452 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001449141341 929550801 /nfs/dbraw/zinc/55/08/01/929550801.db2.gz VOYRPVULZGYPJG-SECBINFHSA-N 1 1 321.341 -1.879 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001449136720 929552011 /nfs/dbraw/zinc/55/20/11/929552011.db2.gz IEWUIYRFEIAQPB-VIFPVBQESA-N 1 1 321.341 -1.879 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)o1 ZINC001449145598 929552574 /nfs/dbraw/zinc/55/25/74/929552574.db2.gz CPBATMMNFWBTBG-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO CCc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)o1 ZINC001449145617 929553223 /nfs/dbraw/zinc/55/32/23/929553223.db2.gz CPBATMMNFWBTBG-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cncn1C ZINC001449145692 929553896 /nfs/dbraw/zinc/55/38/96/929553896.db2.gz QIOZECQIMAPMQL-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cncn1C ZINC001449149033 929554247 /nfs/dbraw/zinc/55/42/47/929554247.db2.gz WJDOHJYCLGPWON-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CCn2cnnn2)C1 ZINC001449150926 929556790 /nfs/dbraw/zinc/55/67/90/929556790.db2.gz HCLXBOZLXCBRJM-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001449151739 929556947 /nfs/dbraw/zinc/55/69/47/929556947.db2.gz CPYCLAUCHSHDFD-QCNOEVLYSA-N 1 1 324.385 -1.314 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cncn1C ZINC001449164284 929558519 /nfs/dbraw/zinc/55/85/19/929558519.db2.gz SNCOKMYCJCRKEB-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001449176748 929560105 /nfs/dbraw/zinc/56/01/05/929560105.db2.gz LXVVAMSKKOLLSW-CHWSQXEVSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001449176748 929560117 /nfs/dbraw/zinc/56/01/17/929560117.db2.gz LXVVAMSKKOLLSW-CHWSQXEVSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CCOCC1 ZINC001449179721 929560411 /nfs/dbraw/zinc/56/04/11/929560411.db2.gz SXGBLMYXOSUIBX-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CCOCC1 ZINC001449179721 929560419 /nfs/dbraw/zinc/56/04/19/929560419.db2.gz SXGBLMYXOSUIBX-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001449172282 929560915 /nfs/dbraw/zinc/56/09/15/929560915.db2.gz GFDPXNGJRUQQRN-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO CCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001449172282 929560924 /nfs/dbraw/zinc/56/09/24/929560924.db2.gz GFDPXNGJRUQQRN-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001449180087 929561632 /nfs/dbraw/zinc/56/16/32/929561632.db2.gz ZMPLBGPKFPYIHV-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001449180087 929561641 /nfs/dbraw/zinc/56/16/41/929561641.db2.gz ZMPLBGPKFPYIHV-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1cncn1 ZINC001449192680 929562490 /nfs/dbraw/zinc/56/24/90/929562490.db2.gz XIWILLDNHHYPPC-JTQLQIEISA-N 1 1 308.346 -1.984 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cccn1 ZINC001449187035 929562580 /nfs/dbraw/zinc/56/25/80/929562580.db2.gz JDUHNTJCCJHMQF-CYBMUJFWSA-N 1 1 321.385 -1.074 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186086 929562891 /nfs/dbraw/zinc/56/28/91/929562891.db2.gz HMMSHQWBRMJRQI-ZJUUUORDSA-N 1 1 301.343 -1.501 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001449186086 929562902 /nfs/dbraw/zinc/56/29/02/929562902.db2.gz HMMSHQWBRMJRQI-ZJUUUORDSA-N 1 1 301.343 -1.501 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1cccn1 ZINC001449187036 929563047 /nfs/dbraw/zinc/56/30/47/929563047.db2.gz JDUHNTJCCJHMQF-ZDUSSCGKSA-N 1 1 321.385 -1.074 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001449191698 929563491 /nfs/dbraw/zinc/56/34/91/929563491.db2.gz BSHLAIVKIBCUAN-RYUDHWBXSA-N 1 1 317.386 -2.023 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCOCC1=O ZINC001449191675 929563964 /nfs/dbraw/zinc/56/39/64/929563964.db2.gz BRHIYZUEQPXKAQ-GFCCVEGCSA-N 1 1 317.386 -2.021 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001449198199 929565686 /nfs/dbraw/zinc/56/56/86/929565686.db2.gz KLDJBQKVVFRVAY-ZJUUUORDSA-N 1 1 315.374 -2.445 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001449199933 929565899 /nfs/dbraw/zinc/56/58/99/929565899.db2.gz NIDXIXXIUDPNJD-UWVGGRQHSA-N 1 1 318.399 -1.090 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001449193745 929566065 /nfs/dbraw/zinc/56/60/65/929566065.db2.gz VYYCXISULWJYQR-JTQLQIEISA-N 1 1 324.385 -1.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001449193745 929566073 /nfs/dbraw/zinc/56/60/73/929566073.db2.gz VYYCXISULWJYQR-JTQLQIEISA-N 1 1 324.385 -1.440 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198929 929566149 /nfs/dbraw/zinc/56/61/49/929566149.db2.gz XIEPMOKZGVULFW-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198929 929566157 /nfs/dbraw/zinc/56/61/57/929566157.db2.gz XIEPMOKZGVULFW-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198923 929566177 /nfs/dbraw/zinc/56/61/77/929566177.db2.gz XIEPMOKZGVULFW-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001449198923 929566188 /nfs/dbraw/zinc/56/61/88/929566188.db2.gz XIEPMOKZGVULFW-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449193600 929566771 /nfs/dbraw/zinc/56/67/71/929566771.db2.gz DFRQWVVXAWMKNL-QWRGUYRKSA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449193600 929566776 /nfs/dbraw/zinc/56/67/76/929566776.db2.gz DFRQWVVXAWMKNL-QWRGUYRKSA-N 1 1 314.386 -2.038 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001449193870 929566923 /nfs/dbraw/zinc/56/69/23/929566923.db2.gz FQODQALKMRYFDM-GFCCVEGCSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001449193870 929566932 /nfs/dbraw/zinc/56/69/32/929566932.db2.gz FQODQALKMRYFDM-GFCCVEGCSA-N 1 1 309.370 -1.023 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001449204593 929568274 /nfs/dbraw/zinc/56/82/74/929568274.db2.gz WSGRRHAZTJWKFE-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001449204593 929568283 /nfs/dbraw/zinc/56/82/83/929568283.db2.gz WSGRRHAZTJWKFE-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)on1 ZINC001449213529 929568828 /nfs/dbraw/zinc/56/88/28/929568828.db2.gz MXDPXQQBARRRCG-VIFPVBQESA-N 1 1 314.342 -1.077 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)on1 ZINC001449213529 929568833 /nfs/dbraw/zinc/56/88/33/929568833.db2.gz MXDPXQQBARRRCG-VIFPVBQESA-N 1 1 314.342 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ccnc1 ZINC001449214492 929569582 /nfs/dbraw/zinc/56/95/82/929569582.db2.gz NSSYNNHKAYHRIT-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001449204589 929569971 /nfs/dbraw/zinc/56/99/71/929569971.db2.gz WSGRRHAZTJWKFE-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001449204589 929569974 /nfs/dbraw/zinc/56/99/74/929569974.db2.gz WSGRRHAZTJWKFE-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001449212458 929570000 /nfs/dbraw/zinc/57/00/00/929570000.db2.gz JWQUMNOJEFDTTE-SRVKXCTJSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001449212458 929570012 /nfs/dbraw/zinc/57/00/12/929570012.db2.gz JWQUMNOJEFDTTE-SRVKXCTJSA-N 1 1 321.443 -1.057 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)on1 ZINC001449203922 929570589 /nfs/dbraw/zinc/57/05/89/929570589.db2.gz SCBRFOAIBSHQPC-IUCAKERBSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)on1 ZINC001449203922 929570597 /nfs/dbraw/zinc/57/05/97/929570597.db2.gz SCBRFOAIBSHQPC-IUCAKERBSA-N 1 1 314.342 -1.078 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449203243 929570617 /nfs/dbraw/zinc/57/06/17/929570617.db2.gz YISPNVHHAFKPQN-ZJUUUORDSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449203243 929570620 /nfs/dbraw/zinc/57/06/20/929570620.db2.gz YISPNVHHAFKPQN-ZJUUUORDSA-N 1 1 300.359 -2.299 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001449212466 929570752 /nfs/dbraw/zinc/57/07/52/929570752.db2.gz JWQUMNOJEFDTTE-TUAOUCFPSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001449212466 929570761 /nfs/dbraw/zinc/57/07/61/929570761.db2.gz JWQUMNOJEFDTTE-TUAOUCFPSA-N 1 1 321.443 -1.057 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233168 929571958 /nfs/dbraw/zinc/57/19/58/929571958.db2.gz WTSYDUCXFNILFD-GXSJLCMTSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233168 929571972 /nfs/dbraw/zinc/57/19/72/929571972.db2.gz WTSYDUCXFNILFD-GXSJLCMTSA-N 1 1 310.358 -1.600 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001449234249 929572093 /nfs/dbraw/zinc/57/20/93/929572093.db2.gz XGXGXCWAGGZUMI-OLZOCXBDSA-N 1 1 303.403 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221589 929572185 /nfs/dbraw/zinc/57/21/85/929572185.db2.gz BOGSWZTYTXCLMW-JQWIXIFHSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001449221589 929572197 /nfs/dbraw/zinc/57/21/97/929572197.db2.gz BOGSWZTYTXCLMW-JQWIXIFHSA-N 1 1 309.370 -1.024 20 0 DAADMO Cc1cnn(CCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001449236621 929572220 /nfs/dbraw/zinc/57/22/20/929572220.db2.gz SUGNDTVXJILGBX-GFCCVEGCSA-N 1 1 311.386 -1.182 20 0 DAADMO Cc1cnn(CCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001449236621 929572225 /nfs/dbraw/zinc/57/22/25/929572225.db2.gz SUGNDTVXJILGBX-GFCCVEGCSA-N 1 1 311.386 -1.182 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001449230629 929572279 /nfs/dbraw/zinc/57/22/79/929572279.db2.gz DRJRLVFEXDNRKB-RYUDHWBXSA-N 1 1 316.402 -1.073 20 0 DAADMO CCN1CCO[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238350 929572473 /nfs/dbraw/zinc/57/24/73/929572473.db2.gz WVEQAFIOSUSGAT-ZIAGYGMSSA-N 1 1 317.430 -1.159 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449228181 929572690 /nfs/dbraw/zinc/57/26/90/929572690.db2.gz UNFDYXVKJKOKGJ-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449228181 929572696 /nfs/dbraw/zinc/57/26/96/929572696.db2.gz UNFDYXVKJKOKGJ-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001449232069 929572702 /nfs/dbraw/zinc/57/27/02/929572702.db2.gz NEOBJMPACKBKJO-NWDGAFQWSA-N 1 1 316.402 -1.602 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001449232069 929572705 /nfs/dbraw/zinc/57/27/05/929572705.db2.gz NEOBJMPACKBKJO-NWDGAFQWSA-N 1 1 316.402 -1.602 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001449238338 929573137 /nfs/dbraw/zinc/57/31/37/929573137.db2.gz WVEQAFIOSUSGAT-KBPBESRZSA-N 1 1 317.430 -1.159 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCCC(=O)N1 ZINC001449231978 929573291 /nfs/dbraw/zinc/57/32/91/929573291.db2.gz VBGDXHXCABUYJF-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001449236822 929573318 /nfs/dbraw/zinc/57/33/18/929573318.db2.gz UELWQWCZUJSIQA-NXEZZACHSA-N 1 1 313.358 -1.123 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001449236822 929573322 /nfs/dbraw/zinc/57/33/22/929573322.db2.gz UELWQWCZUJSIQA-NXEZZACHSA-N 1 1 313.358 -1.123 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001449220640 929573366 /nfs/dbraw/zinc/57/33/66/929573366.db2.gz XESDOBZOAXGHKY-NWDGAFQWSA-N 1 1 316.402 -2.450 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001449231983 929573446 /nfs/dbraw/zinc/57/34/46/929573446.db2.gz VBGDXHXCABUYJF-RYUDHWBXSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)C(C)(C)C ZINC001449240912 929575632 /nfs/dbraw/zinc/57/56/32/929575632.db2.gz IAAJOZXZAMSVOR-NSHDSACASA-N 1 1 303.403 -1.108 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248716 929576413 /nfs/dbraw/zinc/57/64/13/929576413.db2.gz GKPGPZRCXCEJBN-MWLCHTKSSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248716 929576422 /nfs/dbraw/zinc/57/64/22/929576422.db2.gz GKPGPZRCXCEJBN-MWLCHTKSSA-N 1 1 324.385 -1.164 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449251628 929576690 /nfs/dbraw/zinc/57/66/90/929576690.db2.gz YHSMGMHPOKHUBT-WDEREUQCSA-N 1 1 310.358 -2.082 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)CN1CCNC(=O)C1 ZINC001449267539 929578868 /nfs/dbraw/zinc/57/88/68/929578868.db2.gz LQWHAHFAQFFMBR-UHFFFAOYSA-N 1 1 300.403 -1.421 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)c1ccc2nnnn2c1 ZINC001449343529 929579776 /nfs/dbraw/zinc/57/97/76/929579776.db2.gz XONKWJZUTFVJEK-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nnn(C)n1)Cc1cnn(C)c1 ZINC001449343411 929580644 /nfs/dbraw/zinc/58/06/44/929580644.db2.gz WEZWBUPEAABJTL-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)n1)Cc1cnn(C)c1 ZINC001449343411 929580650 /nfs/dbraw/zinc/58/06/50/929580650.db2.gz WEZWBUPEAABJTL-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001449335672 929581207 /nfs/dbraw/zinc/58/12/07/929581207.db2.gz CUZHPEXOORINFZ-GFCCVEGCSA-N 1 1 316.402 -1.166 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnon1 ZINC001449346355 929583017 /nfs/dbraw/zinc/58/30/17/929583017.db2.gz XSTFFXOFQIJNGR-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnon1 ZINC001449346355 929583028 /nfs/dbraw/zinc/58/30/28/929583028.db2.gz XSTFFXOFQIJNGR-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC001449405374 929585098 /nfs/dbraw/zinc/58/50/98/929585098.db2.gz CEXDFXXFUGWLQD-UHFFFAOYSA-N 1 1 317.371 -1.302 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(C(=O)c2cn[nH]n2)C2CC2)C1 ZINC001449833382 929596685 /nfs/dbraw/zinc/59/66/85/929596685.db2.gz QMFBTZQRXOZETI-LBPRGKRZSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(C(=O)c2cn[nH]n2)C2CC2)C1 ZINC001449833382 929596696 /nfs/dbraw/zinc/59/66/96/929596696.db2.gz QMFBTZQRXOZETI-LBPRGKRZSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865161 929598573 /nfs/dbraw/zinc/59/85/73/929598573.db2.gz XTVBTCHCYFPVQD-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865161 929598581 /nfs/dbraw/zinc/59/85/81/929598581.db2.gz XTVBTCHCYFPVQD-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865126 929598823 /nfs/dbraw/zinc/59/88/23/929598823.db2.gz XTVBTCHCYFPVQD-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865126 929598832 /nfs/dbraw/zinc/59/88/32/929598832.db2.gz XTVBTCHCYFPVQD-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C(=O)Cn1cnnn1 ZINC001450101669 929606004 /nfs/dbraw/zinc/60/60/04/929606004.db2.gz RKUIAHWHSXGPJU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)Cn1ncnn1 ZINC001450099122 929606808 /nfs/dbraw/zinc/60/68/08/929606808.db2.gz OWARSKMNXDJUJI-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CNC(=O)C2CC2)C1 ZINC001450282468 929617271 /nfs/dbraw/zinc/61/72/71/929617271.db2.gz ZGCNNYQYHHKRRB-LBPRGKRZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)Cc1cnc[nH]1)C1CN(C(=O)CCNC(N)=O)C1 ZINC001450390160 929627895 /nfs/dbraw/zinc/62/78/95/929627895.db2.gz GBVLVHLCOAYWCS-VIFPVBQESA-N 1 1 322.369 -1.026 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001450864825 929630059 /nfs/dbraw/zinc/63/00/59/929630059.db2.gz PBFQEBKINNALER-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001450864820 929630071 /nfs/dbraw/zinc/63/00/71/929630071.db2.gz PBFQEBKINNALER-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001513483396 929635615 /nfs/dbraw/zinc/63/56/15/929635615.db2.gz RGQNPGIBBJEOLZ-MXWKQRLJSA-N 1 1 312.370 -2.109 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001513561676 929641318 /nfs/dbraw/zinc/64/13/18/929641318.db2.gz RAJVIFSFYXZMMZ-NEPJUHHUSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001513561676 929641325 /nfs/dbraw/zinc/64/13/25/929641325.db2.gz RAJVIFSFYXZMMZ-NEPJUHHUSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001513561676 929641336 /nfs/dbraw/zinc/64/13/36/929641336.db2.gz RAJVIFSFYXZMMZ-NEPJUHHUSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001513735633 929643032 /nfs/dbraw/zinc/64/30/32/929643032.db2.gz JPIMNFSZJDWFCK-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001513735633 929643041 /nfs/dbraw/zinc/64/30/41/929643041.db2.gz JPIMNFSZJDWFCK-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001513735633 929643051 /nfs/dbraw/zinc/64/30/51/929643051.db2.gz JPIMNFSZJDWFCK-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1cc(C[NH+](C)C)on1)C(=O)C(N)=O ZINC001514715996 929647284 /nfs/dbraw/zinc/64/72/84/929647284.db2.gz HDDUNMGBBPVHIP-SECBINFHSA-N 1 1 323.353 -1.106 20 0 DAADMO COCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001521356032 929657173 /nfs/dbraw/zinc/65/71/73/929657173.db2.gz JLEBJPCOGWCMKL-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO COCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001521356031 929657251 /nfs/dbraw/zinc/65/72/51/929657251.db2.gz JLEBJPCOGWCMKL-RYUDHWBXSA-N 1 1 310.354 -1.084 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001521490510 929660804 /nfs/dbraw/zinc/66/08/04/929660804.db2.gz ZZQNMVGYMNNXFQ-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001521480486 929661918 /nfs/dbraw/zinc/66/19/18/929661918.db2.gz VMAQDBAJNPWDOL-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001521480486 929661931 /nfs/dbraw/zinc/66/19/31/929661931.db2.gz VMAQDBAJNPWDOL-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521504478 929663776 /nfs/dbraw/zinc/66/37/76/929663776.db2.gz VAMNSDODQCNPNO-STQMWFEESA-N 1 1 311.430 -1.454 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCCNC(=O)Cn1cnnn1 ZINC001522508427 929673981 /nfs/dbraw/zinc/67/39/81/929673981.db2.gz CJSMXDHIIAVUGV-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001522528450 929676117 /nfs/dbraw/zinc/67/61/17/929676117.db2.gz XRAOREMMTGZCOV-GHMZBOCLSA-N 1 1 301.343 -2.035 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001522528450 929676124 /nfs/dbraw/zinc/67/61/24/929676124.db2.gz XRAOREMMTGZCOV-GHMZBOCLSA-N 1 1 301.343 -2.035 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccnn2C)C1 ZINC001522547822 929678311 /nfs/dbraw/zinc/67/83/11/929678311.db2.gz FPDGVFWWRSKCOZ-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2ccnn2C)C1 ZINC001522547822 929678321 /nfs/dbraw/zinc/67/83/21/929678321.db2.gz FPDGVFWWRSKCOZ-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccnn2C)C1 ZINC001522547829 929678453 /nfs/dbraw/zinc/67/84/53/929678453.db2.gz FPDGVFWWRSKCOZ-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccnn2C)C1 ZINC001522547829 929678459 /nfs/dbraw/zinc/67/84/59/929678459.db2.gz FPDGVFWWRSKCOZ-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO CC(C)[C@@H](C(=O)NCCNC(=O)CS(C)(=O)=O)[NH+](C)C ZINC001522544186 929678896 /nfs/dbraw/zinc/67/88/96/929678896.db2.gz SBSMWBGKBWGPOU-NSHDSACASA-N 1 1 307.416 -1.150 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)c1=O ZINC001522555521 929680487 /nfs/dbraw/zinc/68/04/87/929680487.db2.gz CCUGGXMHLSUXTE-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001522569141 929681804 /nfs/dbraw/zinc/68/18/04/929681804.db2.gz RGRAGJWYWUMURF-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001522569141 929681812 /nfs/dbraw/zinc/68/18/12/929681812.db2.gz RGRAGJWYWUMURF-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO Cn1ccc(CCC(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001522568041 929681829 /nfs/dbraw/zinc/68/18/29/929681829.db2.gz DTPRIBSNXKBOQE-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1ccc(CCC(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001522568041 929681837 /nfs/dbraw/zinc/68/18/37/929681837.db2.gz DTPRIBSNXKBOQE-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001522570357 929682066 /nfs/dbraw/zinc/68/20/66/929682066.db2.gz OKTNONJVKZHMPA-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001522570357 929682076 /nfs/dbraw/zinc/68/20/76/929682076.db2.gz OKTNONJVKZHMPA-NSHDSACASA-N 1 1 323.353 -1.710 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001522567797 929682141 /nfs/dbraw/zinc/68/21/41/929682141.db2.gz CISKAARPUYFTLK-HZMBPMFUSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001522567797 929682153 /nfs/dbraw/zinc/68/21/53/929682153.db2.gz CISKAARPUYFTLK-HZMBPMFUSA-N 1 1 312.370 -1.924 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1C ZINC001522675484 929692451 /nfs/dbraw/zinc/69/24/51/929692451.db2.gz WSYSDTDWYUNFCK-GARJFASQSA-N 1 1 311.386 -1.370 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)C[N@@H+](C)C2CCC2)NC1=O ZINC001522708091 929696570 /nfs/dbraw/zinc/69/65/70/929696570.db2.gz CNCIGIFISRSRJF-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001522727131 929696817 /nfs/dbraw/zinc/69/68/17/929696817.db2.gz WUOVOBRGFKHCTG-LLVKDONJSA-N 1 1 321.381 -1.032 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)Cn1ncn(C)c1=O ZINC001522735866 929697776 /nfs/dbraw/zinc/69/77/76/929697776.db2.gz OIYJNUABWQAVKJ-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001522781811 929700982 /nfs/dbraw/zinc/70/09/82/929700982.db2.gz REPBBOUVRXLBSB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522869619 929707350 /nfs/dbraw/zinc/70/73/50/929707350.db2.gz JMLICIZIPWGMEK-MNOVXSKESA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522869619 929707358 /nfs/dbraw/zinc/70/73/58/929707358.db2.gz JMLICIZIPWGMEK-MNOVXSKESA-N 1 1 312.370 -1.924 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001522870826 929708080 /nfs/dbraw/zinc/70/80/80/929708080.db2.gz OGWKNOWXBGADAM-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1cnc(C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001522870826 929708088 /nfs/dbraw/zinc/70/80/88/929708088.db2.gz OGWKNOWXBGADAM-SNVBAGLBSA-N 1 1 310.358 -1.618 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)Cc2cc[nH]n2)C1 ZINC001522867164 929708418 /nfs/dbraw/zinc/70/84/18/929708418.db2.gz YTNJNIUFVRYWRN-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)Cc2cc[nH]n2)C1 ZINC001522867164 929708425 /nfs/dbraw/zinc/70/84/25/929708425.db2.gz YTNJNIUFVRYWRN-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001522872276 929709883 /nfs/dbraw/zinc/70/98/83/929709883.db2.gz XFKIMFMEFRDCND-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)NCC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522937534 929711082 /nfs/dbraw/zinc/71/10/82/929711082.db2.gz HUFFJGJOFPHIAL-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO CNC(=O)NCC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522937553 929711525 /nfs/dbraw/zinc/71/15/25/929711525.db2.gz HUFFJGJOFPHIAL-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001522968745 929713830 /nfs/dbraw/zinc/71/38/30/929713830.db2.gz VMOQXNHBCOJJHU-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001523401297 929725320 /nfs/dbraw/zinc/72/53/20/929725320.db2.gz SOHOFOWLHROBDD-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001523401297 929725323 /nfs/dbraw/zinc/72/53/23/929725323.db2.gz SOHOFOWLHROBDD-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001523401284 929726215 /nfs/dbraw/zinc/72/62/15/929726215.db2.gz SOHOFOWLHROBDD-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001523401284 929726219 /nfs/dbraw/zinc/72/62/19/929726219.db2.gz SOHOFOWLHROBDD-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001523742799 929730342 /nfs/dbraw/zinc/73/03/42/929730342.db2.gz VKLRAMPXIKXKKK-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001525079982 929752860 /nfs/dbraw/zinc/75/28/60/929752860.db2.gz ZVFSHRQEUUFGIU-DCAQKATOSA-N 1 1 311.386 -1.229 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001525367804 929753595 /nfs/dbraw/zinc/75/35/95/929753595.db2.gz IAVIKUDLKPTCSC-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001526597802 929765975 /nfs/dbraw/zinc/76/59/75/929765975.db2.gz ZQXKRMRJRIMHGK-SCZZXKLOSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C(=O)NCC(F)F ZINC001526596492 929766285 /nfs/dbraw/zinc/76/62/85/929766285.db2.gz UYHILBIFUVOPHE-BDAKNGLRSA-N 1 1 320.340 -1.060 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)C1 ZINC001527108821 929773887 /nfs/dbraw/zinc/77/38/87/929773887.db2.gz GZDCLPYNPWQXPB-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001527164115 929775413 /nfs/dbraw/zinc/77/54/13/929775413.db2.gz IVZJOZHFGFIIOB-RYUDHWBXSA-N 1 1 321.385 -1.411 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001527163331 929775684 /nfs/dbraw/zinc/77/56/84/929775684.db2.gz FQASYFBDBRKEEW-NSHDSACASA-N 1 1 322.369 -1.175 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001527164117 929775762 /nfs/dbraw/zinc/77/57/62/929775762.db2.gz IVZJOZHFGFIIOB-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1C(=O)CNC1=O ZINC001527679540 929782962 /nfs/dbraw/zinc/78/29/62/929782962.db2.gz JLVOPMGSQUHGPM-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CC(=O)NCC(=O)NCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001527872862 929784305 /nfs/dbraw/zinc/78/43/05/929784305.db2.gz ANHKHKJSZOCVCZ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCn1nncc1C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528004797 929791774 /nfs/dbraw/zinc/79/17/74/929791774.db2.gz VTMXONRGJVBMEK-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1nncc1C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528004797 929791786 /nfs/dbraw/zinc/79/17/86/929791786.db2.gz VTMXONRGJVBMEK-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CCNC(N)=O)C1 ZINC001528117046 929795614 /nfs/dbraw/zinc/79/56/14/929795614.db2.gz MIKRJPHCRCCACJ-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CN(CCNC(=O)c1cc(=O)n(C)cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528335453 929802979 /nfs/dbraw/zinc/80/29/79/929802979.db2.gz AERMMMKMZDPXAB-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001528583198 929812529 /nfs/dbraw/zinc/81/25/29/929812529.db2.gz FBXFBVVUJUVNDX-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(CCNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001528712543 929815828 /nfs/dbraw/zinc/81/58/28/929815828.db2.gz OGPHVIVQAIOFNG-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001528712543 929815839 /nfs/dbraw/zinc/81/58/39/929815839.db2.gz OGPHVIVQAIOFNG-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528712544 929816476 /nfs/dbraw/zinc/81/64/76/929816476.db2.gz OGPHVIVQAIOFNG-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1c[nH]cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528712544 929816483 /nfs/dbraw/zinc/81/64/83/929816483.db2.gz OGPHVIVQAIOFNG-LBPRGKRZSA-N 1 1 309.370 -1.143 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001528744803 929818369 /nfs/dbraw/zinc/81/83/69/929818369.db2.gz ZWEKKRPBSPJYNE-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CNC(=O)NC ZINC001528863448 929819364 /nfs/dbraw/zinc/81/93/64/929819364.db2.gz OGCJVWQWDWVQJA-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001530357160 929840707 /nfs/dbraw/zinc/84/07/07/929840707.db2.gz LGNWIFWUAWQJDM-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CNC(=O)C3CC3)C2)C1 ZINC001530357160 929840717 /nfs/dbraw/zinc/84/07/17/929840717.db2.gz LGNWIFWUAWQJDM-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530388494 929842248 /nfs/dbraw/zinc/84/22/48/929842248.db2.gz AQDRGTKMHBTJLV-SKDRFNHKSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530388494 929842258 /nfs/dbraw/zinc/84/22/58/929842258.db2.gz AQDRGTKMHBTJLV-SKDRFNHKSA-N 1 1 312.370 -1.831 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)CC2 ZINC001530387370 929842814 /nfs/dbraw/zinc/84/28/14/929842814.db2.gz OBOKYZGEYDAEOZ-SNVBAGLBSA-N 1 1 319.365 -1.044 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001530388490 929842909 /nfs/dbraw/zinc/84/29/09/929842909.db2.gz AQDRGTKMHBTJLV-CABZTGNLSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001530388490 929842911 /nfs/dbraw/zinc/84/29/11/929842911.db2.gz AQDRGTKMHBTJLV-CABZTGNLSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001530495284 929851322 /nfs/dbraw/zinc/85/13/22/929851322.db2.gz WQCKETNEHHDSOA-UHFFFAOYSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530486622 929851854 /nfs/dbraw/zinc/85/18/54/929851854.db2.gz VUAZIHFVERPTLU-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530486622 929851863 /nfs/dbraw/zinc/85/18/63/929851863.db2.gz VUAZIHFVERPTLU-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001530510676 929852967 /nfs/dbraw/zinc/85/29/67/929852967.db2.gz AQAYWMUDOYZXTL-NXEZZACHSA-N 1 1 320.353 -1.231 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001530568193 929856616 /nfs/dbraw/zinc/85/66/16/929856616.db2.gz UNLQKUADEXTYIK-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](OC)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530635396 929861161 /nfs/dbraw/zinc/86/11/61/929861161.db2.gz HWSSSWAAZQAWAD-NEPJUHHUSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@H](OC)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530635396 929861176 /nfs/dbraw/zinc/86/11/76/929861176.db2.gz HWSSSWAAZQAWAD-NEPJUHHUSA-N 1 1 315.370 -1.695 20 0 DAADMO COC(=O)NCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530706508 929864915 /nfs/dbraw/zinc/86/49/15/929864915.db2.gz MSFOLWIDTBMHBU-LLVKDONJSA-N 1 1 312.370 -1.131 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001530707233 929865165 /nfs/dbraw/zinc/86/51/65/929865165.db2.gz IZTCROFITXXOEL-UHFFFAOYSA-N 1 1 319.427 -1.054 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001530705623 929865380 /nfs/dbraw/zinc/86/53/80/929865380.db2.gz JROOPCJCXVEGNR-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO COC(=O)NCC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530706510 929865793 /nfs/dbraw/zinc/86/57/93/929865793.db2.gz MSFOLWIDTBMHBU-NSHDSACASA-N 1 1 312.370 -1.131 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530791875 929868867 /nfs/dbraw/zinc/86/88/67/929868867.db2.gz PMSVBVKVOIMLSM-LLVKDONJSA-N 1 1 311.386 -1.558 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001530793640 929870010 /nfs/dbraw/zinc/87/00/10/929870010.db2.gz XPQIBIFMTYWVAM-LLVKDONJSA-N 1 1 311.386 -1.417 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3ccnc3)C2)C1 ZINC001530811650 929870341 /nfs/dbraw/zinc/87/03/41/929870341.db2.gz GTJXDXBGMMYHQL-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3ccnc3)C2)C1 ZINC001530811650 929870346 /nfs/dbraw/zinc/87/03/46/929870346.db2.gz GTJXDXBGMMYHQL-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001530792925 929870791 /nfs/dbraw/zinc/87/07/91/929870791.db2.gz KNEVFJJLQOTJRB-UHFFFAOYSA-N 1 1 313.402 -1.170 20 0 DAADMO NC(=O)C(=O)NCC1CN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001530882778 929874160 /nfs/dbraw/zinc/87/41/60/929874160.db2.gz UUHRKVATAUJRQS-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126223 929880683 /nfs/dbraw/zinc/88/06/83/929880683.db2.gz CHIOZLFJEDWIBN-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126223 929880700 /nfs/dbraw/zinc/88/07/00/929880700.db2.gz CHIOZLFJEDWIBN-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1C ZINC001531441841 929886134 /nfs/dbraw/zinc/88/61/34/929886134.db2.gz WELPVQFIBAOPSB-WDEREUQCSA-N 1 1 322.369 -1.116 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1C ZINC001531441835 929886242 /nfs/dbraw/zinc/88/62/42/929886242.db2.gz WELPVQFIBAOPSB-GHMZBOCLSA-N 1 1 322.369 -1.116 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161097 929892125 /nfs/dbraw/zinc/89/21/25/929892125.db2.gz FHUVCNLNPLUPEP-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001532161097 929892132 /nfs/dbraw/zinc/89/21/32/929892132.db2.gz FHUVCNLNPLUPEP-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CNC(=O)Cn1ncnn1 ZINC001532249019 929893777 /nfs/dbraw/zinc/89/37/77/929893777.db2.gz UTWWOJGDHPZBPQ-RYUDHWBXSA-N 1 1 323.401 -1.117 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001532741826 929899159 /nfs/dbraw/zinc/89/91/59/929899159.db2.gz NTIVOKIBABFWCL-NEPJUHHUSA-N 1 1 323.401 -1.118 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001532741862 929899266 /nfs/dbraw/zinc/89/92/66/929899266.db2.gz OICHMWKHFFSJLI-GHMZBOCLSA-N 1 1 313.402 -1.137 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001533156261 929908871 /nfs/dbraw/zinc/90/88/71/929908871.db2.gz FFZYPFFWIIJRPH-LBPRGKRZSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001533169335 929911693 /nfs/dbraw/zinc/91/16/93/929911693.db2.gz SRUQAANNRIEUBZ-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001533169768 929912335 /nfs/dbraw/zinc/91/23/35/929912335.db2.gz UTJCJMTXEXJHJY-ZDUSSCGKSA-N 1 1 324.381 -1.131 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001533171260 929913396 /nfs/dbraw/zinc/91/33/96/929913396.db2.gz MPCZUDWMTOZWJK-GFCCVEGCSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001533172562 929913700 /nfs/dbraw/zinc/91/37/00/929913700.db2.gz VSFRHVMAKHNARH-PWSUYJOCSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001533172560 929913972 /nfs/dbraw/zinc/91/39/72/929913972.db2.gz VSFRHVMAKHNARH-CMPLNLGQSA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173843 929914856 /nfs/dbraw/zinc/91/48/56/929914856.db2.gz CICJQNGFCSPSKF-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173843 929914863 /nfs/dbraw/zinc/91/48/63/929914863.db2.gz CICJQNGFCSPSKF-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001533203377 929923119 /nfs/dbraw/zinc/92/31/19/929923119.db2.gz QXFYIQHYTJJHJA-OLZOCXBDSA-N 1 1 323.397 -1.492 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533205792 929924002 /nfs/dbraw/zinc/92/40/02/929924002.db2.gz UEMOEBWQEGHABO-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001533207915 929924072 /nfs/dbraw/zinc/92/40/72/929924072.db2.gz MEUOQXWBXXQGKD-NXEZZACHSA-N 1 1 312.370 -2.061 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1nccn1 ZINC001533207963 929924866 /nfs/dbraw/zinc/92/48/66/929924866.db2.gz MRQLXMZEWJLMLI-QWRGUYRKSA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217515 929927293 /nfs/dbraw/zinc/92/72/93/929927293.db2.gz CFFQZGXFQNNUHQ-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217515 929927299 /nfs/dbraw/zinc/92/72/99/929927299.db2.gz CFFQZGXFQNNUHQ-VXGBXAGGSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220277 929927357 /nfs/dbraw/zinc/92/73/57/929927357.db2.gz QYYBQBIYMLXRSR-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccnnc2)C1 ZINC001533220277 929927359 /nfs/dbraw/zinc/92/73/59/929927359.db2.gz QYYBQBIYMLXRSR-RYUDHWBXSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217150 929927520 /nfs/dbraw/zinc/92/75/20/929927520.db2.gz NUPVZRNAMFKNQZ-QWHCGFSZSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217150 929927532 /nfs/dbraw/zinc/92/75/32/929927532.db2.gz NUPVZRNAMFKNQZ-QWHCGFSZSA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217512 929927956 /nfs/dbraw/zinc/92/79/56/929927956.db2.gz CFFQZGXFQNNUHQ-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1 ZINC001533217512 929927964 /nfs/dbraw/zinc/92/79/64/929927964.db2.gz CFFQZGXFQNNUHQ-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221318 929928416 /nfs/dbraw/zinc/92/84/16/929928416.db2.gz VERVTJRELNHJBT-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccncn2)C1 ZINC001533221318 929928423 /nfs/dbraw/zinc/92/84/23/929928423.db2.gz VERVTJRELNHJBT-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001533231293 929929222 /nfs/dbraw/zinc/92/92/22/929929222.db2.gz YROWONNDPWWWLT-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001533266248 929936584 /nfs/dbraw/zinc/93/65/84/929936584.db2.gz HRRFWWLRPSVZOC-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cnoc2)C1 ZINC001533266885 929936626 /nfs/dbraw/zinc/93/66/26/929936626.db2.gz LJJUYNDPRDUFRA-NEPJUHHUSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001533269314 929937139 /nfs/dbraw/zinc/93/71/39/929937139.db2.gz ZZNLNLYGJCMVTO-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001533291207 929940002 /nfs/dbraw/zinc/94/00/02/929940002.db2.gz OPLXLOXRWLYBHO-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001533294150 929940632 /nfs/dbraw/zinc/94/06/32/929940632.db2.gz WEXCTPAIRYIDGA-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1cncn1C ZINC001533291208 929940678 /nfs/dbraw/zinc/94/06/78/929940678.db2.gz OPLXLOXRWLYBHO-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001533307495 929942137 /nfs/dbraw/zinc/94/21/37/929942137.db2.gz DWNODHZVRXXGLT-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001533307495 929942144 /nfs/dbraw/zinc/94/21/44/929942144.db2.gz DWNODHZVRXXGLT-VHSXEESVSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001533310691 929943839 /nfs/dbraw/zinc/94/38/39/929943839.db2.gz YFQZRKRETWSJQP-GARJFASQSA-N 1 1 312.370 -2.048 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433260 929948031 /nfs/dbraw/zinc/94/80/31/929948031.db2.gz ODVVFHBYHNZLFO-OTDNITJGSA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)C2(C(N)=O)CC2)C1 ZINC001533433260 929948037 /nfs/dbraw/zinc/94/80/37/929948037.db2.gz ODVVFHBYHNZLFO-OTDNITJGSA-N 1 1 324.381 -1.629 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001533480639 929950237 /nfs/dbraw/zinc/95/02/37/929950237.db2.gz PRZVLMHBDCMILT-ZNRGBCAMSA-N 1 1 310.354 -1.165 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)Cn2ncnn2)C1 ZINC001533508812 929951650 /nfs/dbraw/zinc/95/16/50/929951650.db2.gz JDEUCIAOGMJDCA-ZZKXABKFSA-N 1 1 321.385 -1.197 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001533587036 929954018 /nfs/dbraw/zinc/95/40/18/929954018.db2.gz SLQBTQIICLDQAB-YYAQPZEXSA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001534745418 929972741 /nfs/dbraw/zinc/97/27/41/929972741.db2.gz MRUGVIOWKOLIGZ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001534745418 929972749 /nfs/dbraw/zinc/97/27/49/929972749.db2.gz MRUGVIOWKOLIGZ-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001534745420 929973045 /nfs/dbraw/zinc/97/30/45/929973045.db2.gz MRUGVIOWKOLIGZ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001534745420 929973050 /nfs/dbraw/zinc/97/30/50/929973050.db2.gz MRUGVIOWKOLIGZ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)CN2CCOCC2)C1 ZINC001534768537 929973353 /nfs/dbraw/zinc/97/33/53/929973353.db2.gz KTWWFHDOYDGXAT-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001534819246 929976695 /nfs/dbraw/zinc/97/66/95/929976695.db2.gz SVLLRDHJRMADSZ-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001534954966 929982154 /nfs/dbraw/zinc/98/21/54/929982154.db2.gz SPZVDCKRTJBKTD-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001535781156 929995477 /nfs/dbraw/zinc/99/54/77/929995477.db2.gz FCOSHSLUMRQHKC-VIFPVBQESA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001535872856 929996084 /nfs/dbraw/zinc/99/60/84/929996084.db2.gz AIVZBHPPTGSCJS-QWRGUYRKSA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@@H+](CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1)C1CCC1 ZINC001535874951 929996351 /nfs/dbraw/zinc/99/63/51/929996351.db2.gz WFPLVVOTLOYVJE-LLVKDONJSA-N 1 1 323.397 -1.083 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)CNC(N)=O)C1 ZINC001536440886 930004764 /nfs/dbraw/zinc/00/47/64/930004764.db2.gz PERHNTVLJINDAJ-UHFFFAOYSA-N 1 1 308.342 -1.471 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001536894442 930012178 /nfs/dbraw/zinc/01/21/78/930012178.db2.gz NSSMPSPZLNRZSI-AWEZNQCLSA-N 1 1 312.370 -1.699 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001537283955 930015433 /nfs/dbraw/zinc/01/54/33/930015433.db2.gz JKDKNYDIWDBWIO-CQSZACIVSA-N 1 1 310.354 -1.082 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001537283954 930016178 /nfs/dbraw/zinc/01/61/78/930016178.db2.gz JKDKNYDIWDBWIO-AWEZNQCLSA-N 1 1 310.354 -1.082 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001537324269 930019349 /nfs/dbraw/zinc/01/93/49/930019349.db2.gz ADTWBANQUSCYPJ-FZMZJTMJSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001537324269 930019357 /nfs/dbraw/zinc/01/93/57/930019357.db2.gz ADTWBANQUSCYPJ-FZMZJTMJSA-N 1 1 322.369 -1.408 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC001540430567 930022113 /nfs/dbraw/zinc/02/21/13/930022113.db2.gz PTMWGSNULAPSBV-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CN1CC[NH+](CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001540507201 930023347 /nfs/dbraw/zinc/02/33/47/930023347.db2.gz CWQDMNGJHFLUGA-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001544139652 930025041 /nfs/dbraw/zinc/02/50/41/930025041.db2.gz UAWSHMVBMDLMGX-DCAQKATOSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC001548639120 930032599 /nfs/dbraw/zinc/03/25/99/930032599.db2.gz VHYWGOGHJAIDNQ-MNOVXSKESA-N 1 1 317.415 -2.278 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCNS(C)(=O)=O ZINC001548645528 930032835 /nfs/dbraw/zinc/03/28/35/930032835.db2.gz BILOTNRDFGRFPE-MNOVXSKESA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(OCC(N)=O)CC1 ZINC001548642133 930033499 /nfs/dbraw/zinc/03/34/99/930033499.db2.gz UEPPJZVNOCHHDG-YPMHNXCESA-N 1 1 310.398 -1.132 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC001548647875 930033831 /nfs/dbraw/zinc/03/38/31/930033831.db2.gz DJIZMYWFLFVMCK-GRYCIOLGSA-N 1 1 316.427 -1.475 20 0 DAADMO CNC(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625642 930033870 /nfs/dbraw/zinc/03/38/70/930033870.db2.gz VSGQIWHKYXYAQE-JSGCOSHPSA-N 1 1 323.441 -1.299 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001548646956 930034776 /nfs/dbraw/zinc/03/47/76/930034776.db2.gz LNCFASCZRZICQI-UONOGXRCSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001548617498 930035032 /nfs/dbraw/zinc/03/50/32/930035032.db2.gz NQKJOMQUKIZMBA-KBPBESRZSA-N 1 1 323.441 -1.393 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001548647523 930035052 /nfs/dbraw/zinc/03/50/52/930035052.db2.gz VMTDXXOAWRBNNZ-FRRDWIJNSA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001548647527 930035140 /nfs/dbraw/zinc/03/51/40/930035140.db2.gz VMTDXXOAWRBNNZ-UPJWGTAASA-N 1 1 309.414 -1.559 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CCO1 ZINC001548649241 930035484 /nfs/dbraw/zinc/03/54/84/930035484.db2.gz ITVRDZYUEMXFAY-MRVWCRGKSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CCOCC1 ZINC001548623053 930035904 /nfs/dbraw/zinc/03/59/04/930035904.db2.gz SXNXSERVXTUXIG-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001548646955 930036094 /nfs/dbraw/zinc/03/60/94/930036094.db2.gz LNCFASCZRZICQI-KGLIPLIRSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC001548663705 930037948 /nfs/dbraw/zinc/03/79/48/930037948.db2.gz OGTNKAVKBZALCN-YPMHNXCESA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001548724601 930039167 /nfs/dbraw/zinc/03/91/67/930039167.db2.gz QHROGHMQMOSPSL-MGPQQGTHSA-N 1 1 323.441 -1.047 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001548719421 930039224 /nfs/dbraw/zinc/03/92/24/930039224.db2.gz SLGNGORPUDGJMT-WDEREUQCSA-N 1 1 309.370 -2.469 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001548731085 930039484 /nfs/dbraw/zinc/03/94/84/930039484.db2.gz DQDGOVAXDHDUOL-KBPBESRZSA-N 1 1 324.425 -1.060 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCn2nnc(CO)c2C1 ZINC001548708015 930039687 /nfs/dbraw/zinc/03/96/87/930039687.db2.gz PWDGNFKBBBPGFZ-MFKMUULPSA-N 1 1 306.370 -1.499 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001548725985 930040372 /nfs/dbraw/zinc/04/03/72/930040372.db2.gz MKNKISQMOKWAIY-FVCCEPFGSA-N 1 1 311.382 -1.243 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nncn2C)CC1 ZINC001548726777 930040417 /nfs/dbraw/zinc/04/04/17/930040417.db2.gz JPTSPLKAIGMIEZ-CHWSQXEVSA-N 1 1 319.413 -1.148 20 0 DAADMO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001548724592 930040540 /nfs/dbraw/zinc/04/05/40/930040540.db2.gz QHROGHMQMOSPSL-HZSPNIEDSA-N 1 1 323.441 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](CO)CN1CCOCC1 ZINC001548699613 930040709 /nfs/dbraw/zinc/04/07/09/930040709.db2.gz GFXKYFQHEVXHAO-MGPQQGTHSA-N 1 1 312.414 -1.816 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCn2nnc(CO)c2C1 ZINC001548708014 930041872 /nfs/dbraw/zinc/04/18/72/930041872.db2.gz PWDGNFKBBBPGFZ-GXFFZTMASA-N 1 1 306.370 -1.499 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1nnc(N)s1 ZINC001548735206 930042502 /nfs/dbraw/zinc/04/25/02/930042502.db2.gz GSYBFZAMIZODDK-UHFFFAOYSA-N 1 1 312.399 -1.105 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001548732876 930042534 /nfs/dbraw/zinc/04/25/34/930042534.db2.gz LYBDZKXREFYQLZ-ONGXEEELSA-N 1 1 302.400 -1.865 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001548789093 930043675 /nfs/dbraw/zinc/04/36/75/930043675.db2.gz UVJSMDOXRDBXPG-WDEREUQCSA-N 1 1 306.370 -1.767 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001548789090 930045413 /nfs/dbraw/zinc/04/54/13/930045413.db2.gz UVJSMDOXRDBXPG-MNOVXSKESA-N 1 1 306.370 -1.767 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1=O ZINC001548993246 930046414 /nfs/dbraw/zinc/04/64/14/930046414.db2.gz CSRPBHHFCGIBNB-QJPTWQEYSA-N 1 1 324.381 -1.016 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CC1=O ZINC001548995766 930046653 /nfs/dbraw/zinc/04/66/53/930046653.db2.gz JXNXNRIYTDEXJD-BFHYXJOUSA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](C(=O)N2CCOCC2)[C@H](C)C1 ZINC001549139470 930049632 /nfs/dbraw/zinc/04/96/32/930049632.db2.gz LQSMQNVJXRSODJ-MNOVXSKESA-N 1 1 312.370 -1.131 20 0 DAADMO Cn1nccc1[C@H]1[C@@H](NC(=O)[C@H]2COCC[NH2+]2)CC(=O)N1C ZINC001549046722 930049818 /nfs/dbraw/zinc/04/98/18/930049818.db2.gz BWIRVVHLYJHTJK-OPQQBVKSSA-N 1 1 307.354 -1.204 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)c(=O)n1C ZINC001549139089 930050413 /nfs/dbraw/zinc/05/04/13/930050413.db2.gz XOMQLRZRQSITLC-YNEHKIRRSA-N 1 1 323.397 -1.006 20 0 DAADMO C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C(=O)N1CCOCC1 ZINC001549139013 930050743 /nfs/dbraw/zinc/05/07/43/930050743.db2.gz DPFUPOJBZMMTAT-WDEREUQCSA-N 1 1 312.370 -1.002 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549172898 930050868 /nfs/dbraw/zinc/05/08/68/930050868.db2.gz OCUGVXRIIGUKTN-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO CC(=O)N[C@@]1(c2nc(C)no2)CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC001549301789 930052105 /nfs/dbraw/zinc/05/21/05/930052105.db2.gz WJDLOQKDMMOMHO-FZMZJTMJSA-N 1 1 323.353 -1.070 20 0 DAADMO O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)CNC1 ZINC001549293536 930052693 /nfs/dbraw/zinc/05/26/93/930052693.db2.gz WSIUWZGXJIIPAQ-VXGBXAGGSA-N 1 1 323.397 -1.933 20 0 DAADMO CCn1cc(O[C@H]2C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]2O)cn1 ZINC001549598915 930055380 /nfs/dbraw/zinc/05/53/80/930055380.db2.gz YAQXNFBBCUSNEZ-QWRGUYRKSA-N 1 1 311.342 -1.088 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001549604909 930056315 /nfs/dbraw/zinc/05/63/15/930056315.db2.gz LQUCHOCFNFXRNZ-GHMZBOCLSA-N 1 1 309.374 -1.089 20 0 DAADMO CNC(=O)NC(=O)CCN1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001549604909 930056327 /nfs/dbraw/zinc/05/63/27/930056327.db2.gz LQUCHOCFNFXRNZ-GHMZBOCLSA-N 1 1 309.374 -1.089 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1=O ZINC001549623947 930056787 /nfs/dbraw/zinc/05/67/87/930056787.db2.gz KMZCRYOGLCASCR-IJLUTSLNSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001549728036 930058387 /nfs/dbraw/zinc/05/83/87/930058387.db2.gz GIVMHMZOYGNNOR-SGMGOOAPSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[C@@H]1CNCCO1 ZINC001549728021 930059578 /nfs/dbraw/zinc/05/95/78/930059578.db2.gz GIVMHMZOYGNNOR-OBJOEFQTSA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1cc(O[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2O)cn1 ZINC001549715436 930059768 /nfs/dbraw/zinc/05/97/68/930059768.db2.gz MWHSHKDRQPUFHT-KGLIPLIRSA-N 1 1 323.397 -1.382 20 0 DAADMO CC(=O)N1CCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2CO)CC1 ZINC001550144096 930062727 /nfs/dbraw/zinc/06/27/27/930062727.db2.gz HNWHYRUQMHCCOL-CABCVRRESA-N 1 1 324.425 -1.182 20 0 DAADMO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)CNCCO1 ZINC001550112866 930063175 /nfs/dbraw/zinc/06/31/75/930063175.db2.gz LMXGSGFOPWSESQ-XUJVJEKNSA-N 1 1 323.397 -1.322 20 0 DAADMO Cn1c(=O)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CO)n(C)c1=O ZINC001550144577 930063598 /nfs/dbraw/zinc/06/35/98/930063598.db2.gz KXPXGQPZCAEZNV-DGCLKSJQSA-N 1 1 308.382 -1.275 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@H]2CCC[N@H+]2C[C@@H]1CO ZINC001550908415 930064263 /nfs/dbraw/zinc/06/42/63/930064263.db2.gz NSPFQBPEMGBAKH-VXGBXAGGSA-N 1 1 317.411 -1.022 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001550908415 930064273 /nfs/dbraw/zinc/06/42/73/930064273.db2.gz NSPFQBPEMGBAKH-VXGBXAGGSA-N 1 1 317.411 -1.022 20 0 DAADMO CNC(=O)[C@@]12C[N@H+](CC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551410447 930064558 /nfs/dbraw/zinc/06/45/58/930064558.db2.gz QFDNNLBDFOADCZ-DOMZBBRYSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551410447 930064566 /nfs/dbraw/zinc/06/45/66/930064566.db2.gz QFDNNLBDFOADCZ-DOMZBBRYSA-N 1 1 310.398 -1.497 20 0 DAADMO Cn1cc([C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2CO)cn1 ZINC001551024224 930065248 /nfs/dbraw/zinc/06/52/48/930065248.db2.gz CPKMMSWKSYUADT-CHWSQXEVSA-N 1 1 321.381 -1.614 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2CO)cn1 ZINC001551024224 930065263 /nfs/dbraw/zinc/06/52/63/930065263.db2.gz CPKMMSWKSYUADT-CHWSQXEVSA-N 1 1 321.381 -1.614 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]1COCC2 ZINC001551449876 930066414 /nfs/dbraw/zinc/06/64/14/930066414.db2.gz JRXIBBXLIPQYPP-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]1COCC2 ZINC001551449876 930066426 /nfs/dbraw/zinc/06/64/26/930066426.db2.gz JRXIBBXLIPQYPP-HUBLWGQQSA-N 1 1 311.382 -1.072 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551420278 930066491 /nfs/dbraw/zinc/06/64/91/930066491.db2.gz MBMHNYVBMOBFIF-QMTHXVAHSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]1COCC2 ZINC001551449882 930066746 /nfs/dbraw/zinc/06/67/46/930066746.db2.gz JRXIBBXLIPQYPP-XUJVJEKNSA-N 1 1 311.382 -1.072 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]1COCC2 ZINC001551449882 930066759 /nfs/dbraw/zinc/06/67/59/930066759.db2.gz JRXIBBXLIPQYPP-XUJVJEKNSA-N 1 1 311.382 -1.072 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@@H]1COCC2 ZINC001551417413 930067024 /nfs/dbraw/zinc/06/70/24/930067024.db2.gz CIYKXVXQRTYRHU-ABAIWWIYSA-N 1 1 324.381 -1.035 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551420281 930067318 /nfs/dbraw/zinc/06/73/18/930067318.db2.gz MBMHNYVBMOBFIF-YGRLFVJLSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)[C@@]12C[N@H+](CCC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551411992 930067408 /nfs/dbraw/zinc/06/74/08/930067408.db2.gz UUZPEMRMRNMRLO-BBRMVZONSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCC(=O)N3CCNCC3)C[C@H]1COCC2 ZINC001551411992 930067414 /nfs/dbraw/zinc/06/74/14/930067414.db2.gz UUZPEMRMRNMRLO-BBRMVZONSA-N 1 1 324.425 -1.107 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@H]1COCC2 ZINC001551417427 930067637 /nfs/dbraw/zinc/06/76/37/930067637.db2.gz CIYKXVXQRTYRHU-NHYWBVRUSA-N 1 1 324.381 -1.035 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@H]1COCC2 ZINC001551417431 930067662 /nfs/dbraw/zinc/06/76/62/930067662.db2.gz CIYKXVXQRTYRHU-XHDPSFHLSA-N 1 1 324.381 -1.035 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]1COCC2 ZINC001551416480 930068160 /nfs/dbraw/zinc/06/81/60/930068160.db2.gz FKTQDOYCKCIXMW-DOMZBBRYSA-N 1 1 311.382 -1.070 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCN[C@@H](C)C2)nn1 ZINC001552163056 930070621 /nfs/dbraw/zinc/07/06/21/930070621.db2.gz SNYOXFRXPZJVDJ-GMXVVIOVSA-N 1 1 308.386 -1.200 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNC[C@H]2C)nn1 ZINC001552162090 930071048 /nfs/dbraw/zinc/07/10/48/930071048.db2.gz VOTXISPQXKBMFY-NQBHXWOUSA-N 1 1 308.386 -1.200 20 0 DAADMO O=C(CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCNCC1 ZINC001552418546 930073395 /nfs/dbraw/zinc/07/33/95/930073395.db2.gz CBCZVAHAZXLBFM-SNVBAGLBSA-N 1 1 306.370 -1.352 20 0 DAADMO C[N@@H+](CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CCOCCO ZINC001558099744 930086264 /nfs/dbraw/zinc/08/62/64/930086264.db2.gz WJUOWDSGZUYNPU-JHJVBQTASA-N 1 1 318.370 -2.544 20 0 DAADMO O=C1NC(=O)[C@@H]2C[N@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]12 ZINC001559852853 930091319 /nfs/dbraw/zinc/09/13/19/930091319.db2.gz FNRNSNKCSYMCCV-GRYCIOLGSA-N 1 1 307.350 -1.029 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1)S(C)(=O)=O ZINC001559899188 930091617 /nfs/dbraw/zinc/09/16/17/930091617.db2.gz XZDMVDLISHDWKQ-WDEREUQCSA-N 1 1 323.415 -2.331 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1)S(C)(=O)=O ZINC001559899188 930091621 /nfs/dbraw/zinc/09/16/21/930091621.db2.gz XZDMVDLISHDWKQ-WDEREUQCSA-N 1 1 323.415 -2.331 20 0 DAADMO Cn1nnc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001563237375 930094671 /nfs/dbraw/zinc/09/46/71/930094671.db2.gz DPDDFGHZGJAWIH-VIFPVBQESA-N 1 1 310.362 -1.081 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001563962673 930094806 /nfs/dbraw/zinc/09/48/06/930094806.db2.gz WDVFRLVSTBIXKT-FIQHERPVSA-N 1 1 322.365 -1.236 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC2(C1)NC(=O)NC2=O ZINC001564020489 930095742 /nfs/dbraw/zinc/09/57/42/930095742.db2.gz XTWXLWCWENTEHN-SECBINFHSA-N 1 1 310.358 -2.164 20 0 DAADMO NS(=O)(=O)CCCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001564837012 930096448 /nfs/dbraw/zinc/09/64/48/930096448.db2.gz PCBDMEXZJFISEM-SNVBAGLBSA-N 1 1 308.404 -1.579 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NCCOCCS(N)(=O)=O)CC[N@H+]1C ZINC001564892350 930097320 /nfs/dbraw/zinc/09/73/20/930097320.db2.gz WYXHOJQKADFGJX-NXEZZACHSA-N 1 1 308.404 -1.317 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCOC[C@H]1CO ZINC001565069700 930098936 /nfs/dbraw/zinc/09/89/36/930098936.db2.gz LGEZTCMDJOKZIE-NEPJUHHUSA-N 1 1 314.386 -1.271 20 0 DAADMO CN(CCOCCO)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001565069846 930099381 /nfs/dbraw/zinc/09/93/81/930099381.db2.gz OJROLJMFWRBQHO-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001570922231 948636782 /nfs/dbraw/zinc/63/67/82/948636782.db2.gz GUGLZZZLPWBRPJ-AVPPRXQKSA-N 1 1 321.341 -1.650 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001570922277 948638090 /nfs/dbraw/zinc/63/80/90/948638090.db2.gz HGRRBEFHHVHUPM-ONOSFVFSSA-N 1 1 321.341 -1.650 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001588869934 962044391 /nfs/dbraw/zinc/04/43/91/962044391.db2.gz BJWGGJKQIITIGI-AWEZNQCLSA-N 1 1 314.386 -1.099 20 0 DAADMO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001592513637 978347355 /nfs/dbraw/zinc/34/73/55/978347355.db2.gz HXLFUNUSSTWMRN-QWRGUYRKSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001592513637 978347363 /nfs/dbraw/zinc/34/73/63/978347363.db2.gz HXLFUNUSSTWMRN-QWRGUYRKSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001592513635 978347705 /nfs/dbraw/zinc/34/77/05/978347705.db2.gz HXLFUNUSSTWMRN-GHMZBOCLSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001592513635 978347715 /nfs/dbraw/zinc/34/77/15/978347715.db2.gz HXLFUNUSSTWMRN-GHMZBOCLSA-N 1 1 314.386 -1.153 20 0 DAADMO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001594513801 985808203 /nfs/dbraw/zinc/80/82/03/985808203.db2.gz PYIVPLJYZWMIPV-WDEREUQCSA-N 1 1 312.370 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC001594513801 985808210 /nfs/dbraw/zinc/80/82/10/985808210.db2.gz PYIVPLJYZWMIPV-WDEREUQCSA-N 1 1 312.370 -1.447 20 0 DAADMO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001594514055 985817622 /nfs/dbraw/zinc/81/76/22/985817622.db2.gz TUBTWLWXWGTVNL-UWVGGRQHSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001594514055 985817635 /nfs/dbraw/zinc/81/76/35/985817635.db2.gz TUBTWLWXWGTVNL-UWVGGRQHSA-N 1 1 300.359 -1.543 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@H](C(=O)[O-])C1 ZINC001594584712 986467611 /nfs/dbraw/zinc/46/76/11/986467611.db2.gz LHUSLCXOFCUUCL-AGIUHOORSA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001594584712 986467614 /nfs/dbraw/zinc/46/76/14/986467614.db2.gz LHUSLCXOFCUUCL-AGIUHOORSA-N 1 1 310.398 -1.151 20 0 DAADMO C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001594584712 986467617 /nfs/dbraw/zinc/46/76/17/986467617.db2.gz LHUSLCXOFCUUCL-AGIUHOORSA-N 1 1 310.398 -1.151 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191718345 781919246 /nfs/dbraw/zinc/91/92/46/781919246.db2.gz DRCWJPNOYVUPHS-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191718345 781919255 /nfs/dbraw/zinc/91/92/55/781919255.db2.gz DRCWJPNOYVUPHS-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001191667178 781919698 /nfs/dbraw/zinc/91/96/98/781919698.db2.gz SZJWQTFXSDABDB-VIFPVBQESA-N 1 1 323.357 -1.285 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001191667178 781919694 /nfs/dbraw/zinc/91/96/94/781919694.db2.gz SZJWQTFXSDABDB-VIFPVBQESA-N 1 1 323.357 -1.285 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719404 781919744 /nfs/dbraw/zinc/91/97/44/781919744.db2.gz LSBBDHQBHTVHBQ-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719404 781919749 /nfs/dbraw/zinc/91/97/49/781919749.db2.gz LSBBDHQBHTVHBQ-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO COCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697638 781921350 /nfs/dbraw/zinc/92/13/50/781921350.db2.gz WYMLJCHHTFSIKN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698364 781921386 /nfs/dbraw/zinc/92/13/86/781921386.db2.gz YSJUNUSSGZVWCD-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191696749 781921409 /nfs/dbraw/zinc/92/14/09/781921409.db2.gz PUTPQSVIJHJFLF-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191696749 781921418 /nfs/dbraw/zinc/92/14/18/781921418.db2.gz PUTPQSVIJHJFLF-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697457 781921431 /nfs/dbraw/zinc/92/14/31/781921431.db2.gz VDRJKVCCCACEQK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746426 781922434 /nfs/dbraw/zinc/92/24/34/781922434.db2.gz UVZJNQFJXGDJLS-IUCAKERBSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746426 781922440 /nfs/dbraw/zinc/92/24/40/781922440.db2.gz UVZJNQFJXGDJLS-IUCAKERBSA-N 1 1 313.358 -1.775 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)o2)[C@@H]2NCN[C@@H]21 ZINC001191733626 781922813 /nfs/dbraw/zinc/92/28/13/781922813.db2.gz UYMCXGBIGMJBGM-QYNIQEEDSA-N 1 1 317.147 -1.430 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191801297 781924579 /nfs/dbraw/zinc/92/45/79/781924579.db2.gz BIUHFLMBQPHUOV-HBNTYKKESA-N 1 1 303.359 -2.319 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001191785791 781924909 /nfs/dbraw/zinc/92/49/09/781924909.db2.gz TYZYCLFYZJYHKJ-JHJVBQTASA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191789454 781925058 /nfs/dbraw/zinc/92/50/58/781925058.db2.gz FJQRDYRPCDFHSK-HTQZYQBOSA-N 1 1 324.345 -2.060 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)NCC(F)(F)C[NH3+] ZINC000263041549 263257217 /nfs/dbraw/zinc/25/72/17/263257217.db2.gz DSTCXUVKABHZFH-UHFFFAOYSA-N 1 1 303.331 -1.348 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1ccnc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670639831 545655017 /nfs/dbraw/zinc/65/50/17/545655017.db2.gz LXLPQQZHVIZVSF-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCn1ccnc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670639831 545655026 /nfs/dbraw/zinc/65/50/26/545655026.db2.gz LXLPQQZHVIZVSF-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191785802 781925807 /nfs/dbraw/zinc/92/58/07/781925807.db2.gz UFNAVIBMVBFNST-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191785802 781925811 /nfs/dbraw/zinc/92/58/11/781925811.db2.gz UFNAVIBMVBFNST-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191785970 781926253 /nfs/dbraw/zinc/92/62/53/781926253.db2.gz WZYWFRJOYOSOAS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 ZINC001191823482 781927137 /nfs/dbraw/zinc/92/71/37/781927137.db2.gz MWYWCKMRBQVWIN-GMTAPVOTSA-N 1 1 309.370 -1.005 20 0 DAADMO C[C@@H](C(=O)N(C)CC(=O)N1CCOCC1)N1CC[NH+](C)CC1 ZINC000407976411 545663708 /nfs/dbraw/zinc/66/37/08/545663708.db2.gz LIBQUYQDWIVBJX-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)N1CCOCC1)N1CC[NH+](C)CC1 ZINC000407976410 545664385 /nfs/dbraw/zinc/66/43/85/545664385.db2.gz LIBQUYQDWIVBJX-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000407998839 545665758 /nfs/dbraw/zinc/66/57/58/545665758.db2.gz ROZMTBNPWUNVHM-SNVBAGLBSA-N 1 1 306.388 -2.075 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000407998839 545665764 /nfs/dbraw/zinc/66/57/64/545665764.db2.gz ROZMTBNPWUNVHM-SNVBAGLBSA-N 1 1 306.388 -2.075 20 0 DAADMO COC(=O)Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001191859158 781927341 /nfs/dbraw/zinc/92/73/41/781927341.db2.gz YAPHSWNSJLTAPO-HZSPNIEDSA-N 1 1 319.365 -1.465 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000171563051 545669886 /nfs/dbraw/zinc/66/98/86/545669886.db2.gz WEBXZLWTZUVLQY-VXGBXAGGSA-N 1 1 310.398 -1.029 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC000602970080 545683282 /nfs/dbraw/zinc/68/32/82/545683282.db2.gz RJFSOHFAEMFRNO-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000408320063 545685677 /nfs/dbraw/zinc/68/56/77/545685677.db2.gz JPMFIUOGOWICHI-GARJFASQSA-N 1 1 307.416 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001191907493 781929122 /nfs/dbraw/zinc/92/91/22/781929122.db2.gz SGPIOJYFVDKURG-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331139484 545699728 /nfs/dbraw/zinc/69/97/28/545699728.db2.gz GJRPEXYDEOMOEJ-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331139484 545699732 /nfs/dbraw/zinc/69/97/32/545699732.db2.gz GJRPEXYDEOMOEJ-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000331261294 545701975 /nfs/dbraw/zinc/70/19/75/545701975.db2.gz BUNADHQKMXXPNQ-CYBMUJFWSA-N 1 1 313.354 -1.809 20 0 DAADMO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000331261295 545702010 /nfs/dbraw/zinc/70/20/10/545702010.db2.gz BUNADHQKMXXPNQ-ZDUSSCGKSA-N 1 1 313.354 -1.809 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000331193283 545703201 /nfs/dbraw/zinc/70/32/01/545703201.db2.gz MFELHBJUVMQBFL-GFCCVEGCSA-N 1 1 315.414 -1.012 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)S(N)(=O)=O ZINC000343428968 545704571 /nfs/dbraw/zinc/70/45/71/545704571.db2.gz QZDMGBUVKOXICZ-OPRDCNLKSA-N 1 1 320.415 -1.669 20 0 DAADMO CN(CCO)CC(=O)N1CCN(C(=O)C[N@H+](C)CCO)CC1 ZINC000343712630 545706225 /nfs/dbraw/zinc/70/62/25/545706225.db2.gz BAMRWKITIRVGMR-UHFFFAOYSA-N 1 1 316.402 -2.495 20 0 DAADMO CN(CCO)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCO)CC1 ZINC000343712630 545706234 /nfs/dbraw/zinc/70/62/34/545706234.db2.gz BAMRWKITIRVGMR-UHFFFAOYSA-N 1 1 316.402 -2.495 20 0 DAADMO O=S(=O)(N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCCOCC1 ZINC000655647736 545705941 /nfs/dbraw/zinc/70/59/41/545705941.db2.gz RWCJNWYEULZEFL-NWDGAFQWSA-N 1 1 305.400 -1.296 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001191898050 781930251 /nfs/dbraw/zinc/93/02/51/781930251.db2.gz LUWIXXYFSFGWNO-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191898050 781930259 /nfs/dbraw/zinc/93/02/59/781930259.db2.gz LUWIXXYFSFGWNO-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO CNc1nc(NC[C@@H](O)C2CC2)[nH+]c(NC[C@@H](O)C2CC2)n1 ZINC000343915464 545709131 /nfs/dbraw/zinc/70/91/31/545709131.db2.gz KGEBWWOPZFSHSA-GHMZBOCLSA-N 1 1 308.386 -1.455 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191989250 781932692 /nfs/dbraw/zinc/93/26/92/781932692.db2.gz ZUMGJFXZIQWMML-OPRDCNLKSA-N 1 1 300.359 -1.933 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191989250 781932699 /nfs/dbraw/zinc/93/26/99/781932699.db2.gz ZUMGJFXZIQWMML-OPRDCNLKSA-N 1 1 300.359 -1.933 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001191994669 781933053 /nfs/dbraw/zinc/93/30/53/781933053.db2.gz BALRIUSIVKNIHV-HBNTYKKESA-N 1 1 311.342 -2.719 20 0 DAADMO C[C@@](O)(CNC(=O)C(=O)NCC(F)F)C[NH+]1CCOCC1 ZINC000347021939 545714531 /nfs/dbraw/zinc/71/45/31/545714531.db2.gz XMRMGKVFTQOITI-GFCCVEGCSA-N 1 1 309.313 -1.433 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000347128073 545715420 /nfs/dbraw/zinc/71/54/20/545715420.db2.gz KDLKYBWVJRNWBD-WDEREUQCSA-N 1 1 302.375 -1.103 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000347045346 545715569 /nfs/dbraw/zinc/71/55/69/545715569.db2.gz OIOMODXHYJSCRQ-SNVBAGLBSA-N 1 1 308.404 -1.445 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001191986704 781933792 /nfs/dbraw/zinc/93/37/92/781933792.db2.gz FCQFADGOYBHMNF-QJPTWQEYSA-N 1 1 315.370 -1.781 20 0 DAADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000167406577 545721572 /nfs/dbraw/zinc/72/15/72/545721572.db2.gz BQJMDMHYVPZJFH-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001191915872 781934264 /nfs/dbraw/zinc/93/42/64/781934264.db2.gz FSQYANFMZYNRMZ-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191916147 781934716 /nfs/dbraw/zinc/93/47/16/781934716.db2.gz HLHHEQNZERAYCQ-IJLUTSLNSA-N 1 1 306.359 -2.182 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000351553050 545722626 /nfs/dbraw/zinc/72/26/26/545722626.db2.gz CWVDLUMAPDFNJM-AVGNSLFASA-N 1 1 312.414 -1.232 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)nnn1C ZINC001191960311 781935317 /nfs/dbraw/zinc/93/53/17/781935317.db2.gz PCBXPUGLYDINCE-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)nnn1C ZINC001191960311 781935325 /nfs/dbraw/zinc/93/53/25/781935325.db2.gz PCBXPUGLYDINCE-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331643231 545726405 /nfs/dbraw/zinc/72/64/05/545726405.db2.gz MZUNVVAQFDWQLM-LBPRGKRZSA-N 1 1 318.399 -1.010 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCO[C@@H](CO)C1 ZINC000332039755 545728327 /nfs/dbraw/zinc/72/83/27/545728327.db2.gz KIZLAJKJDVYMSB-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO CNC(=O)CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000338531881 283322977 /nfs/dbraw/zinc/32/29/77/283322977.db2.gz WYLHXJXHCXPZMO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999827 781935889 /nfs/dbraw/zinc/93/58/89/781935889.db2.gz YNLJAIVIDOQTNO-QWRGUYRKSA-N 1 1 310.354 -1.077 20 0 DAADMO CS(=O)(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362400716 545743962 /nfs/dbraw/zinc/74/39/62/545743962.db2.gz IGTNXJIZLXXTMQ-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000368570526 545748485 /nfs/dbraw/zinc/74/84/85/545748485.db2.gz VSFQDXLYFMAOCH-OLZOCXBDSA-N 1 1 321.443 -1.307 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000368626870 545750994 /nfs/dbraw/zinc/75/09/94/545750994.db2.gz UZAQKWIQOHHCIY-NSHDSACASA-N 1 1 304.416 -1.487 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001191978470 781937252 /nfs/dbraw/zinc/93/72/52/781937252.db2.gz KSNDCLRVTHWTSW-FRRDWIJNSA-N 1 1 313.398 -1.036 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001191979367 781937718 /nfs/dbraw/zinc/93/77/18/781937718.db2.gz SMWCTGIOEZRKLN-XLPZGREQSA-N 1 1 313.276 -1.664 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979118 781937606 /nfs/dbraw/zinc/93/76/06/781937606.db2.gz QLNVJTPSYIJGJC-HBNTYKKESA-N 1 1 319.358 -2.953 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O ZINC001191979367 781937728 /nfs/dbraw/zinc/93/77/28/781937728.db2.gz SMWCTGIOEZRKLN-XLPZGREQSA-N 1 1 313.276 -1.664 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001191980011 781937953 /nfs/dbraw/zinc/93/79/53/781937953.db2.gz ZGJKCJPJHZPOIS-HBNTYKKESA-N 1 1 312.370 -2.061 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001191978059 781939635 /nfs/dbraw/zinc/93/96/35/781939635.db2.gz IPXVAXVGNFIDDP-CHWSQXEVSA-N 1 1 307.350 -1.284 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039371 781939959 /nfs/dbraw/zinc/93/99/59/781939959.db2.gz YEEDTOFFJQNLTN-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039371 781939971 /nfs/dbraw/zinc/93/99/71/781939971.db2.gz YEEDTOFFJQNLTN-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192045638 781940138 /nfs/dbraw/zinc/94/01/38/781940138.db2.gz HIVUURDZMDHLOK-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192073462 781940379 /nfs/dbraw/zinc/94/03/79/781940379.db2.gz UPRXYFHJQVTPPG-MNOVXSKESA-N 1 1 312.370 -2.012 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192045639 781940437 /nfs/dbraw/zinc/94/04/37/781940437.db2.gz HIVUURDZMDHLOK-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039339 781940934 /nfs/dbraw/zinc/94/09/34/781940934.db2.gz XJIOCNYATMVXDT-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039339 781940944 /nfs/dbraw/zinc/94/09/44/781940944.db2.gz XJIOCNYATMVXDT-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039369 781941392 /nfs/dbraw/zinc/94/13/92/781941392.db2.gz YEEDTOFFJQNLTN-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039369 781941406 /nfs/dbraw/zinc/94/14/06/781941406.db2.gz YEEDTOFFJQNLTN-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082375 781943277 /nfs/dbraw/zinc/94/32/77/781943277.db2.gz GLLPCSFEMIQORU-UWVGGRQHSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082375 781943287 /nfs/dbraw/zinc/94/32/87/781943287.db2.gz GLLPCSFEMIQORU-UWVGGRQHSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082376 781944279 /nfs/dbraw/zinc/94/42/79/781944279.db2.gz GLLPCSFEMIQORU-VHSXEESVSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082376 781944287 /nfs/dbraw/zinc/94/42/87/781944287.db2.gz GLLPCSFEMIQORU-VHSXEESVSA-N 1 1 305.400 -1.315 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093514 781944306 /nfs/dbraw/zinc/94/43/06/781944306.db2.gz LFZAAFWEUPWPGW-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093514 781944312 /nfs/dbraw/zinc/94/43/12/781944312.db2.gz LFZAAFWEUPWPGW-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102243 781945985 /nfs/dbraw/zinc/94/59/85/781945985.db2.gz PHAJSHCJLTXPNG-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192102487 781947348 /nfs/dbraw/zinc/94/73/48/781947348.db2.gz AGDYNJIOQRHLJN-GHMZBOCLSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192206147 781947681 /nfs/dbraw/zinc/94/76/81/781947681.db2.gz PNRRQBBCTYVBIM-IJLUTSLNSA-N 1 1 316.354 -1.890 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001192222382 781950435 /nfs/dbraw/zinc/95/04/35/781950435.db2.gz MZRPHCXHGRPKRL-MGPQQGTHSA-N 1 1 309.366 -1.207 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192271155 781952788 /nfs/dbraw/zinc/95/27/88/781952788.db2.gz PALCWZHAGHJGNE-JHJVBQTASA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192271155 781952803 /nfs/dbraw/zinc/95/28/03/781952803.db2.gz PALCWZHAGHJGNE-JHJVBQTASA-N 1 1 317.386 -2.513 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192270636 781953705 /nfs/dbraw/zinc/95/37/05/781953705.db2.gz GNECSJOSJQTYPS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001192320327 781954972 /nfs/dbraw/zinc/95/49/72/781954972.db2.gz FVLCQERJIJPDEM-OPRDCNLKSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)no2)C1 ZINC001192320327 781954981 /nfs/dbraw/zinc/95/49/81/781954981.db2.gz FVLCQERJIJPDEM-OPRDCNLKSA-N 1 1 315.326 -1.535 20 0 DAADMO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192328662 781955992 /nfs/dbraw/zinc/95/59/92/781955992.db2.gz JPOHNYKSZHLKNG-VXGBXAGGSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192328662 781956001 /nfs/dbraw/zinc/95/60/01/781956001.db2.gz JPOHNYKSZHLKNG-VXGBXAGGSA-N 1 1 304.387 -1.028 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377527 781956666 /nfs/dbraw/zinc/95/66/66/781956666.db2.gz MLZFOHKHDRTCKC-YIZRAAEISA-N 1 1 311.342 -2.165 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377527 781956673 /nfs/dbraw/zinc/95/66/73/781956673.db2.gz MLZFOHKHDRTCKC-YIZRAAEISA-N 1 1 311.342 -2.165 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192363362 781956981 /nfs/dbraw/zinc/95/69/81/781956981.db2.gz KDRNSVFBKVLOFO-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001192362627 781957871 /nfs/dbraw/zinc/95/78/71/781957871.db2.gz DZLYPVGVJGMAGD-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc(OC)n1 ZINC001192428125 781958442 /nfs/dbraw/zinc/95/84/42/781958442.db2.gz PUXLLHGPJDAVRT-GRYCIOLGSA-N 1 1 308.342 -1.769 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192419405 781958890 /nfs/dbraw/zinc/95/88/90/781958890.db2.gz BWXXNLKCYRWOPE-DMDPSCGWSA-N 1 1 312.370 -1.315 20 0 DAADMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419189274 545765149 /nfs/dbraw/zinc/76/51/49/545765149.db2.gz PMSBRLDNXRDUFA-VGMNWLOBSA-N 1 1 318.324 -1.178 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000419246551 545766366 /nfs/dbraw/zinc/76/63/66/545766366.db2.gz MIPVXWZNOSRVKR-DTWKUNHWSA-N 1 1 318.324 -1.034 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001192391383 781959695 /nfs/dbraw/zinc/95/96/95/781959695.db2.gz IIWVVIBPKSMJCS-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001192391383 781959692 /nfs/dbraw/zinc/95/96/92/781959692.db2.gz IIWVVIBPKSMJCS-CHWSQXEVSA-N 1 1 323.397 -1.084 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000423865690 545774747 /nfs/dbraw/zinc/77/47/47/545774747.db2.gz CCPMOEUAMUMKRD-AXFHLTTASA-N 1 1 305.400 -1.144 20 0 DAADMO COC[C@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424041530 545776295 /nfs/dbraw/zinc/77/62/95/545776295.db2.gz ODAZRAPRYXQBEU-JTQLQIEISA-N 1 1 305.400 -1.285 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600234906 372765116 /nfs/dbraw/zinc/76/51/16/372765116.db2.gz XKVJZGQYQJMKKX-QWRGUYRKSA-N 1 1 315.370 -1.244 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616340727 372761875 /nfs/dbraw/zinc/76/18/75/372761875.db2.gz HKGFYGHOKLKTBW-SAUGFPQOSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157051 372791939 /nfs/dbraw/zinc/79/19/39/372791939.db2.gz MDOGFIILCGRJIR-GXSJLCMTSA-N 1 1 311.386 -1.016 20 0 DAADMO O=C(CO)NC[C@@]1(NC(=O)CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000643610904 372791975 /nfs/dbraw/zinc/79/19/75/372791975.db2.gz ZZJUFHVDWFBRIQ-INIZCTEOSA-N 1 1 321.377 -1.152 20 0 DAADMO COCn1nccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000530485375 372770142 /nfs/dbraw/zinc/77/01/42/372770142.db2.gz FMINMPAWAWHIRR-NSHDSACASA-N 1 1 304.372 -1.168 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000632128828 372779551 /nfs/dbraw/zinc/77/95/51/372779551.db2.gz AABMXUOWOMAKOI-LBPRGKRZSA-N 1 1 302.444 -1.000 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000533517215 372781016 /nfs/dbraw/zinc/78/10/16/372781016.db2.gz DSHHBAJFLHUJGC-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000533517215 372781023 /nfs/dbraw/zinc/78/10/23/372781023.db2.gz DSHHBAJFLHUJGC-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000533545441 372781550 /nfs/dbraw/zinc/78/15/50/372781550.db2.gz YMDCAMPQUHQQHA-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081230512 372797294 /nfs/dbraw/zinc/79/72/94/372797294.db2.gz RFWIHSDRGWCRPY-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081230512 372797305 /nfs/dbraw/zinc/79/73/05/372797305.db2.gz RFWIHSDRGWCRPY-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(C)(C)O ZINC000188622274 372797567 /nfs/dbraw/zinc/79/75/67/372797567.db2.gz WBFAZRLQNFHNJD-LLVKDONJSA-N 1 1 311.386 -1.115 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000556685466 372805829 /nfs/dbraw/zinc/80/58/29/372805829.db2.gz WMBQCUPJEICWDE-NSHDSACASA-N 1 1 322.369 -1.141 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000556685466 372805835 /nfs/dbraw/zinc/80/58/35/372805835.db2.gz WMBQCUPJEICWDE-NSHDSACASA-N 1 1 322.369 -1.141 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556774515 372808114 /nfs/dbraw/zinc/80/81/14/372808114.db2.gz GYSKIIFDOGGGMM-UHFFFAOYSA-N 1 1 301.372 -1.050 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000624401669 372818622 /nfs/dbraw/zinc/81/86/22/372818622.db2.gz JIBVMEISWWUOKQ-SECBINFHSA-N 1 1 315.417 -2.167 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000600477462 372836614 /nfs/dbraw/zinc/83/66/14/372836614.db2.gz RYOZVXSZWARFMY-JTQLQIEISA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCC(=O)NCCC(=O)OC)C1 ZINC000600499337 372841685 /nfs/dbraw/zinc/84/16/85/372841685.db2.gz PYGCZDVEKCEDOC-LLVKDONJSA-N 1 1 315.370 -1.107 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCC(=O)NCCC(=O)OC)C1 ZINC000600499337 372841695 /nfs/dbraw/zinc/84/16/95/372841695.db2.gz PYGCZDVEKCEDOC-LLVKDONJSA-N 1 1 315.370 -1.107 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781058 372842209 /nfs/dbraw/zinc/84/22/09/372842209.db2.gz IRULCIQNVXFPIU-LPEHRKFASA-N 1 1 322.365 -1.184 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781058 372842218 /nfs/dbraw/zinc/84/22/18/372842218.db2.gz IRULCIQNVXFPIU-LPEHRKFASA-N 1 1 322.365 -1.184 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000110922059 372855888 /nfs/dbraw/zinc/85/58/88/372855888.db2.gz WJOPKNRPDRMBEP-UHFFFAOYSA-N 1 1 324.381 -1.272 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCNC(=O)C1 ZINC000119016435 372863655 /nfs/dbraw/zinc/86/36/55/372863655.db2.gz QURSXLPXNGGQFZ-LBPRGKRZSA-N 1 1 306.370 -1.052 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOCC(N)=O)CC1=O ZINC000367548856 372866935 /nfs/dbraw/zinc/86/69/35/372866935.db2.gz FNNSGWGWOOVCGR-GHMZBOCLSA-N 1 1 312.370 -1.148 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@](O)(CC(=O)NC)C1 ZINC000643815924 372879969 /nfs/dbraw/zinc/87/99/69/372879969.db2.gz UTWHGZDTSGQSIF-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CN(C)C(=O)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000643809154 372880051 /nfs/dbraw/zinc/88/00/51/372880051.db2.gz GIHJTNNSAIDVIF-AWEZNQCLSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408316161 372871804 /nfs/dbraw/zinc/87/18/04/372871804.db2.gz ABKIGGWLJXKKKO-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408316161 372871816 /nfs/dbraw/zinc/87/18/16/372871816.db2.gz ABKIGGWLJXKKKO-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408440509 372876116 /nfs/dbraw/zinc/87/61/16/372876116.db2.gz COXIRCBUDIKBIJ-JLLWLGSASA-N 1 1 300.355 -1.176 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408440509 372876125 /nfs/dbraw/zinc/87/61/25/372876125.db2.gz COXIRCBUDIKBIJ-JLLWLGSASA-N 1 1 300.355 -1.176 20 0 DAADMO CN(C)C(=O)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000643809155 372878473 /nfs/dbraw/zinc/87/84/73/372878473.db2.gz GIHJTNNSAIDVIF-CQSZACIVSA-N 1 1 312.370 -1.157 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097344 372861206 /nfs/dbraw/zinc/86/12/06/372861206.db2.gz PXMQIKCXZFBJLD-CHWSQXEVSA-N 1 1 323.459 -1.063 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626097346 372861380 /nfs/dbraw/zinc/86/13/80/372861380.db2.gz PXMQIKCXZFBJLD-QWHCGFSZSA-N 1 1 323.459 -1.063 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O)C1CC1 ZINC000626097713 372861422 /nfs/dbraw/zinc/86/14/22/372861422.db2.gz XSRBXSWMPNMVHP-STQMWFEESA-N 1 1 321.443 -1.309 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O ZINC000626097345 372861494 /nfs/dbraw/zinc/86/14/94/372861494.db2.gz PXMQIKCXZFBJLD-OLZOCXBDSA-N 1 1 323.459 -1.063 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O)C1CC1 ZINC000626097712 372861704 /nfs/dbraw/zinc/86/17/04/372861704.db2.gz XSRBXSWMPNMVHP-QWHCGFSZSA-N 1 1 321.443 -1.309 20 0 DAADMO C[C@H]1C[N@H+](CCN2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC000626097700 372862482 /nfs/dbraw/zinc/86/24/82/372862482.db2.gz XPHBSPAABSXHTK-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@H]1C[N@@H+](CCN2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC000626097700 372862486 /nfs/dbraw/zinc/86/24/86/372862486.db2.gz XPHBSPAABSXHTK-QWHCGFSZSA-N 1 1 321.443 -1.043 20 0 DAADMO CN(CC(=O)NC[C@@H]1CCCC[N@H+]1CCO)S(C)(=O)=O ZINC000622630585 372888438 /nfs/dbraw/zinc/88/84/38/372888438.db2.gz UAXFMAOFPLFFJY-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630693 372888853 /nfs/dbraw/zinc/88/88/53/372888853.db2.gz WAALXSHHWSUFNY-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC000363571154 372890359 /nfs/dbraw/zinc/89/03/59/372890359.db2.gz JHXOUIZFTGQELE-UWVGGRQHSA-N 1 1 308.342 -1.644 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000363567406 372890427 /nfs/dbraw/zinc/89/04/27/372890427.db2.gz ZKROELDWESBOQP-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000363567406 372890433 /nfs/dbraw/zinc/89/04/33/372890433.db2.gz ZKROELDWESBOQP-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000601066056 372896779 /nfs/dbraw/zinc/89/67/79/372896779.db2.gz FLVICSFMXKUZSN-RYUDHWBXSA-N 1 1 323.415 -1.636 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000601066058 372896945 /nfs/dbraw/zinc/89/69/45/372896945.db2.gz FLVICSFMXKUZSN-VXGBXAGGSA-N 1 1 323.415 -1.636 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000562442699 372881949 /nfs/dbraw/zinc/88/19/49/372881949.db2.gz ZYKRFHPOCBQBNI-CYBMUJFWSA-N 1 1 323.459 -1.107 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000562442700 372882217 /nfs/dbraw/zinc/88/22/17/372882217.db2.gz ZYKRFHPOCBQBNI-ZDUSSCGKSA-N 1 1 323.459 -1.107 20 0 DAADMO C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000635957202 372903461 /nfs/dbraw/zinc/90/34/61/372903461.db2.gz GGASERWPACUWGT-IJLUTSLNSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+](C)C)N(C)C ZINC000635957202 372903473 /nfs/dbraw/zinc/90/34/73/372903473.db2.gz GGASERWPACUWGT-IJLUTSLNSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)C[NH+]1CCOCC1 ZINC000150722460 372903562 /nfs/dbraw/zinc/90/35/62/372903562.db2.gz QGXMYWYOEPUNLO-GFCCVEGCSA-N 1 1 324.381 -1.369 20 0 DAADMO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627365691 372916217 /nfs/dbraw/zinc/91/62/17/372916217.db2.gz WTMWLVDOORPLJW-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627365691 372916227 /nfs/dbraw/zinc/91/62/27/372916227.db2.gz WTMWLVDOORPLJW-VXGBXAGGSA-N 1 1 300.403 -1.063 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC(OCC(=O)N(C)C)C1 ZINC000570739748 372916593 /nfs/dbraw/zinc/91/65/93/372916593.db2.gz SUMLNLNGOVOUIB-GFCCVEGCSA-N 1 1 303.403 -1.286 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000570763529 372917693 /nfs/dbraw/zinc/91/76/93/372917693.db2.gz SKWVPLINRCZGOG-RYUDHWBXSA-N 1 1 314.386 -2.432 20 0 DAADMO COCCn1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000636315596 372918495 /nfs/dbraw/zinc/91/84/95/372918495.db2.gz FZFFASUQSSRSKC-UHFFFAOYSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000636316795 372919469 /nfs/dbraw/zinc/91/94/69/372919469.db2.gz XMIXIZRACMTEEP-JTQLQIEISA-N 1 1 318.399 -2.090 20 0 DAADMO O=C(C(=O)N1CCN(CC2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000178956549 372926915 /nfs/dbraw/zinc/92/69/15/372926915.db2.gz UOFWVRNQNKNADE-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO O=C(C(=O)N1CCN(Cc2cnc[nH]2)CC1)N1CCOCC1 ZINC000179793353 372934017 /nfs/dbraw/zinc/93/40/17/372934017.db2.gz JQUDTAIJWGKNFF-UHFFFAOYSA-N 1 1 307.354 -1.087 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000591098509 372953482 /nfs/dbraw/zinc/95/34/82/372953482.db2.gz KVEUDJIMBGBFQV-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000636521516 372940108 /nfs/dbraw/zinc/94/01/08/372940108.db2.gz ZOMGWVHEYDCUEP-LBPRGKRZSA-N 1 1 314.386 -1.399 20 0 DAADMO COC(=O)[C@@]1(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CCOC1 ZINC000601339561 372940556 /nfs/dbraw/zinc/94/05/56/372940556.db2.gz DLDMZTZEJZVWKJ-GFCCVEGCSA-N 1 1 321.399 -1.163 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2COC[C@@H]2O)CC1 ZINC000636549838 372942926 /nfs/dbraw/zinc/94/29/26/372942926.db2.gz DPNRXQMSWMCIQF-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000591885006 372962352 /nfs/dbraw/zinc/96/23/52/372962352.db2.gz VIMWHRAWTHDHLN-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592196507 372966241 /nfs/dbraw/zinc/96/62/41/372966241.db2.gz KSYYDJSYDSGMEG-NXEZZACHSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592193763 372966744 /nfs/dbraw/zinc/96/67/44/372966744.db2.gz BOLHQXKOIRQUBO-MNOVXSKESA-N 1 1 316.354 -1.136 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201927 372967854 /nfs/dbraw/zinc/96/78/54/372967854.db2.gz WSOQNXUXRPIRPT-MWLCHTKSSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000592201927 372967859 /nfs/dbraw/zinc/96/78/59/372967859.db2.gz WSOQNXUXRPIRPT-MWLCHTKSSA-N 1 1 311.338 -1.560 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000592092578 372967876 /nfs/dbraw/zinc/96/78/76/372967876.db2.gz NYYPPRYRCVBSOE-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000592210632 372969705 /nfs/dbraw/zinc/96/97/05/372969705.db2.gz ZKMDIPOZMSZREV-FRRDWIJNSA-N 1 1 302.371 -1.465 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000592530305 372972017 /nfs/dbraw/zinc/97/20/17/372972017.db2.gz FRJTZGXFVDXFHM-MWLCHTKSSA-N 1 1 311.338 -1.560 20 0 DAADMO COC(=O)[C@@H]1CNCCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000592557237 372974061 /nfs/dbraw/zinc/97/40/61/372974061.db2.gz XBSPETJZXWNSBB-QWRGUYRKSA-N 1 1 312.370 -1.782 20 0 DAADMO COC(=O)[C@H]1CNCCCN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000592557529 372974271 /nfs/dbraw/zinc/97/42/71/372974271.db2.gz ZHJUVWQRCVJAPL-PWSUYJOCSA-N 1 1 314.386 -1.551 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000595445347 373002020 /nfs/dbraw/zinc/00/20/20/373002020.db2.gz LUTKPGJZYNQYIA-SDDRHHMPSA-N 1 1 300.355 -1.032 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]21 ZINC000595786466 373003382 /nfs/dbraw/zinc/00/33/82/373003382.db2.gz AOQJKGWYSBLEOL-AEJSXWLSSA-N 1 1 319.383 -1.295 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000595957818 373005520 /nfs/dbraw/zinc/00/55/20/373005520.db2.gz XKHOXPPNBJJSPF-JQWIXIFHSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000595957820 373006083 /nfs/dbraw/zinc/00/60/83/373006083.db2.gz XKHOXPPNBJJSPF-ZYHUDNBSSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000595957817 373006297 /nfs/dbraw/zinc/00/62/97/373006297.db2.gz XKHOXPPNBJJSPF-CMPLNLGQSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595957237 373006577 /nfs/dbraw/zinc/00/65/77/373006577.db2.gz RPKNRIDKADICMO-ZYHUDNBSSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595957237 373006582 /nfs/dbraw/zinc/00/65/82/373006582.db2.gz RPKNRIDKADICMO-ZYHUDNBSSA-N 1 1 315.370 -1.027 20 0 DAADMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)N1CCCOCC1 ZINC000593729022 372985161 /nfs/dbraw/zinc/98/51/61/372985161.db2.gz KTYHNZMJUMJTQS-LLVKDONJSA-N 1 1 321.399 -1.210 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+](C)C1 ZINC000593743836 372985353 /nfs/dbraw/zinc/98/53/53/372985353.db2.gz MJKIXLCBEBAECI-SECBINFHSA-N 1 1 324.341 -2.060 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(CC(=O)OC)CC1 ZINC000593976339 372987473 /nfs/dbraw/zinc/98/74/73/372987473.db2.gz VPZJXIJRFSMQML-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO COC(=O)[C@H](C)CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478935 372991547 /nfs/dbraw/zinc/99/15/47/372991547.db2.gz XSQXWLYDIRLWLJ-OUAUKWLOSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CC[N@@H+](C)C1 ZINC000594368506 372991706 /nfs/dbraw/zinc/99/17/06/372991706.db2.gz BVMGMIVQHAEPJD-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000599297134 373039541 /nfs/dbraw/zinc/03/95/41/373039541.db2.gz RYWLWFDVCFHRAU-WDEREUQCSA-N 1 1 323.415 -1.194 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@@H+](C)C1 ZINC000597773427 373027619 /nfs/dbraw/zinc/02/76/19/373027619.db2.gz SKYJWAHNWMUWQM-BDAKNGLRSA-N 1 1 312.326 -1.852 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598792238 373031477 /nfs/dbraw/zinc/03/14/77/373031477.db2.gz OKJUTDASQPWSIT-JTQLQIEISA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598792239 373031826 /nfs/dbraw/zinc/03/18/26/373031826.db2.gz OKJUTDASQPWSIT-SNVBAGLBSA-N 1 1 321.399 -1.559 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598790658 373032129 /nfs/dbraw/zinc/03/21/29/373032129.db2.gz DRMCUFIHUJCMMV-ZJUUUORDSA-N 1 1 321.399 -1.513 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599600477 373048543 /nfs/dbraw/zinc/04/85/43/373048543.db2.gz GVDQMMLKZJCMGH-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000599600477 373048549 /nfs/dbraw/zinc/04/85/49/373048549.db2.gz GVDQMMLKZJCMGH-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563175 373048748 /nfs/dbraw/zinc/04/87/48/373048748.db2.gz ALCVXVVNPMRACQ-NOZJJQNGSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563175 373048750 /nfs/dbraw/zinc/04/87/50/373048750.db2.gz ALCVXVVNPMRACQ-NOZJJQNGSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000601754646 373058580 /nfs/dbraw/zinc/05/85/80/373058580.db2.gz SRVPXHDNUYOZDR-LPEHRKFASA-N 1 1 301.343 -1.501 20 0 DAADMO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000601754646 373058584 /nfs/dbraw/zinc/05/85/84/373058584.db2.gz SRVPXHDNUYOZDR-LPEHRKFASA-N 1 1 301.343 -1.501 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000602366725 373063516 /nfs/dbraw/zinc/06/35/16/373063516.db2.gz CNACTOYFOGEADD-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599389326 373043024 /nfs/dbraw/zinc/04/30/24/373043024.db2.gz KVIDSUZAZKCMRX-LLVKDONJSA-N 1 1 310.354 -1.139 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563176 373047700 /nfs/dbraw/zinc/04/77/00/373047700.db2.gz ALCVXVVNPMRACQ-RNCFNFMXSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563176 373047703 /nfs/dbraw/zinc/04/77/03/373047703.db2.gz ALCVXVVNPMRACQ-RNCFNFMXSA-N 1 1 302.327 -1.072 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000604483047 373075274 /nfs/dbraw/zinc/07/52/74/373075274.db2.gz YZMPNAKIIGZPAP-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H]1COCCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000637102640 373077292 /nfs/dbraw/zinc/07/72/92/373077292.db2.gz HVMTXCNVBVRSGB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000604722370 373078278 /nfs/dbraw/zinc/07/82/78/373078278.db2.gz QERXOMPWCSSWJV-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000604722370 373078286 /nfs/dbraw/zinc/07/82/86/373078286.db2.gz QERXOMPWCSSWJV-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000637105891 373079245 /nfs/dbraw/zinc/07/92/45/373079245.db2.gz PKGOPQFBKQVXHS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637107952 373080510 /nfs/dbraw/zinc/08/05/10/373080510.db2.gz JBELFYSZKIWYDZ-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000365284887 373082904 /nfs/dbraw/zinc/08/29/04/373082904.db2.gz YVYZFXOHZJWSIF-SECBINFHSA-N 1 1 306.388 -1.025 20 0 DAADMO O=C(N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637131450 373082939 /nfs/dbraw/zinc/08/29/39/373082939.db2.gz XMPLHODRWVQVTD-IGQOVBAYSA-N 1 1 323.393 -1.053 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)N(CCO)CCOCCO ZINC000637171041 373085622 /nfs/dbraw/zinc/08/56/22/373085622.db2.gz HLFCKJIFTHPDCK-UHFFFAOYSA-N 1 1 319.402 -1.279 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369288951 373087829 /nfs/dbraw/zinc/08/78/29/373087829.db2.gz VVOPGFCBVCBGLI-VIFPVBQESA-N 1 1 306.388 -1.154 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1=O ZINC000563163307 373090285 /nfs/dbraw/zinc/09/02/85/373090285.db2.gz SXTFDQVITXBMQL-LBPRGKRZSA-N 1 1 300.290 -1.433 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)C(=O)OC ZINC000320033682 373091847 /nfs/dbraw/zinc/09/18/47/373091847.db2.gz LFXGYTDGFLYGRR-DRCTWCGVSA-N 1 1 315.370 -1.388 20 0 DAADMO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)C(=O)OC ZINC000320033682 373091859 /nfs/dbraw/zinc/09/18/59/373091859.db2.gz LFXGYTDGFLYGRR-DRCTWCGVSA-N 1 1 315.370 -1.388 20 0 DAADMO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C[C@@H](O)C[NH3+] ZINC000563216339 373114071 /nfs/dbraw/zinc/11/40/71/373114071.db2.gz YXTZEWNEDRENSW-JTQLQIEISA-N 1 1 324.385 -1.925 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000603551053 373070036 /nfs/dbraw/zinc/07/00/36/373070036.db2.gz IBNISPHEBALFAF-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCN1C(=O)CCC1=O ZINC000264574285 373160260 /nfs/dbraw/zinc/16/02/60/373160260.db2.gz SUCVRPHOSLRSIP-LLVKDONJSA-N 1 1 324.381 -1.019 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000264549304 373160927 /nfs/dbraw/zinc/16/09/27/373160927.db2.gz OTVFNIGFLURLDO-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)NC(N)=O)CC1 ZINC000366208217 373122250 /nfs/dbraw/zinc/12/22/50/373122250.db2.gz HFRUFORJVHTAMI-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000563243820 373122599 /nfs/dbraw/zinc/12/25/99/373122599.db2.gz WMWFNNRGAWUHFB-PWSUYJOCSA-N 1 1 320.415 -1.614 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000563243818 373123692 /nfs/dbraw/zinc/12/36/92/373123692.db2.gz WMWFNNRGAWUHFB-CMPLNLGQSA-N 1 1 320.415 -1.614 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H](C)CO ZINC000339631349 373128818 /nfs/dbraw/zinc/12/88/18/373128818.db2.gz VOBZKSUSVLZAIM-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000534279811 373130419 /nfs/dbraw/zinc/13/04/19/373130419.db2.gz UUUXJNCFXAXBCQ-NEPJUHHUSA-N 1 1 316.427 -1.474 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000534279813 373130662 /nfs/dbraw/zinc/13/06/62/373130662.db2.gz UUUXJNCFXAXBCQ-RYUDHWBXSA-N 1 1 316.427 -1.474 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000534268004 373131977 /nfs/dbraw/zinc/13/19/77/373131977.db2.gz FPZAQVJBVXHRRE-OAHLLOKOSA-N 1 1 323.441 -1.343 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000563350592 373134039 /nfs/dbraw/zinc/13/40/39/373134039.db2.gz YUOLAOBJWHRTRE-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000411025053 373137256 /nfs/dbraw/zinc/13/72/56/373137256.db2.gz ALWSNWRCKBUONN-XQQFMLRXSA-N 1 1 313.398 -1.259 20 0 DAADMO COC(=O)C[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000563619781 373139726 /nfs/dbraw/zinc/13/97/26/373139726.db2.gz HDRWHEHNSNUMNK-QWRGUYRKSA-N 1 1 314.386 -1.420 20 0 DAADMO COC(=O)C[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000563619781 373139731 /nfs/dbraw/zinc/13/97/31/373139731.db2.gz HDRWHEHNSNUMNK-QWRGUYRKSA-N 1 1 314.386 -1.420 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000571185375 373142573 /nfs/dbraw/zinc/14/25/73/373142573.db2.gz FHQFDAYWTIJONL-URBCHYCLSA-N 1 1 310.398 -1.481 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000263260729 373144446 /nfs/dbraw/zinc/14/44/46/373144446.db2.gz SOHGTFTXPWSBJH-OCCSQVGLSA-N 1 1 313.446 -1.162 20 0 DAADMO CC[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000340022613 373147528 /nfs/dbraw/zinc/14/75/28/373147528.db2.gz NRGPLTGRIOVIIJ-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@@H](CCO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353345579 373147663 /nfs/dbraw/zinc/14/76/63/373147663.db2.gz GSCOLPTYUHQGCL-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CO[C@@H](C[NH3+])CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638479871 373221240 /nfs/dbraw/zinc/22/12/40/373221240.db2.gz GLCKLBWPEXEXBK-GFCCVEGCSA-N 1 1 313.402 -1.480 20 0 DAADMO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638486454 373222282 /nfs/dbraw/zinc/22/22/82/373222282.db2.gz SUDURZMCHDNKMH-NEPJUHHUSA-N 1 1 311.386 -1.728 20 0 DAADMO O=C(CN1CC[NH2+]CC1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638483128 373222319 /nfs/dbraw/zinc/22/23/19/373222319.db2.gz CDSOUEVQRWTIPB-UHFFFAOYSA-N 1 1 324.429 -1.939 20 0 DAADMO CO[C@H](C[NH3+])CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638479872 373222355 /nfs/dbraw/zinc/22/23/55/373222355.db2.gz GLCKLBWPEXEXBK-LBPRGKRZSA-N 1 1 313.402 -1.480 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@@H]3CO)c2c(=O)n(C)c1=O ZINC000272069356 373178290 /nfs/dbraw/zinc/17/82/90/373178290.db2.gz JMHHXYPTMXHPKV-SNVBAGLBSA-N 1 1 307.354 -1.110 20 0 DAADMO O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000637814162 373183680 /nfs/dbraw/zinc/18/36/80/373183680.db2.gz HUBDWRNDBVGCLW-CQSZACIVSA-N 1 1 323.441 -1.438 20 0 DAADMO CN(CC(=O)N1CCNCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000637809808 373184201 /nfs/dbraw/zinc/18/42/01/373184201.db2.gz FVJKYLZEPWUDSG-UHFFFAOYSA-N 1 1 322.413 -1.052 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C2(CO)CCC2)c(=O)n(C)c1=O ZINC000292266999 373224905 /nfs/dbraw/zinc/22/49/05/373224905.db2.gz ZEOJBZKJLHKPEG-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C2(CO)CCC2)c(=O)n(C)c1=O ZINC000292266999 373224913 /nfs/dbraw/zinc/22/49/13/373224913.db2.gz ZEOJBZKJLHKPEG-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278714715 373189510 /nfs/dbraw/zinc/18/95/10/373189510.db2.gz KJBBNYVKBBQBNK-AGIUHOORSA-N 1 1 321.381 -1.449 20 0 DAADMO NS(=O)(=O)c1cnn(CC(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280282273 373192251 /nfs/dbraw/zinc/19/22/51/373192251.db2.gz LVLSCSPZBQHBRQ-UHFFFAOYSA-N 1 1 313.383 -1.091 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC000340101601 373200081 /nfs/dbraw/zinc/20/00/81/373200081.db2.gz VCWVNQCTFCMVQA-JTQLQIEISA-N 1 1 310.358 -1.331 20 0 DAADMO C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H](C)[N@@H+]1C ZINC000293328762 373228298 /nfs/dbraw/zinc/22/82/98/373228298.db2.gz GKBXTPMWLDZBFF-AOOOYVTPSA-N 1 1 323.397 -1.127 20 0 DAADMO CCn1ncnc1C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000638560409 373232942 /nfs/dbraw/zinc/23/29/42/373232942.db2.gz MJHGTZVZPTUZRQ-UHFFFAOYSA-N 1 1 316.431 -1.035 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000340472923 373233056 /nfs/dbraw/zinc/23/30/56/373233056.db2.gz QAUTZBUJOLWHAH-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC000617710217 373277600 /nfs/dbraw/zinc/27/76/00/373277600.db2.gz IEMLJDKBQFSQRC-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC000617710217 373277606 /nfs/dbraw/zinc/27/76/06/373277606.db2.gz IEMLJDKBQFSQRC-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608009512 373238062 /nfs/dbraw/zinc/23/80/62/373238062.db2.gz GXCJWLQQJSLVEV-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000608009512 373238068 /nfs/dbraw/zinc/23/80/68/373238068.db2.gz GXCJWLQQJSLVEV-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000617414767 373238404 /nfs/dbraw/zinc/23/84/04/373238404.db2.gz QBUJYGLCVLARDA-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO CNC(=O)N[C@H]1CC[N@@H+](CCc2cn(CC(=O)OC)nn2)C1 ZINC000342384820 373244581 /nfs/dbraw/zinc/24/45/81/373244581.db2.gz YRCPBZIHLLQUEA-JTQLQIEISA-N 1 1 310.358 -1.003 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC000342646814 373244719 /nfs/dbraw/zinc/24/47/19/373244719.db2.gz MACSZKCBHFGMST-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000342868522 373247039 /nfs/dbraw/zinc/24/70/39/373247039.db2.gz NWWJJXLYBXQOJI-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000342868522 373247046 /nfs/dbraw/zinc/24/70/46/373247046.db2.gz NWWJJXLYBXQOJI-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342868523 373247659 /nfs/dbraw/zinc/24/76/59/373247659.db2.gz NWWJJXLYBXQOJI-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000342868523 373247662 /nfs/dbraw/zinc/24/76/62/373247662.db2.gz NWWJJXLYBXQOJI-SNVBAGLBSA-N 1 1 308.404 -1.315 20 0 DAADMO CO[C@@]1(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CCOC1 ZINC000332938539 373258377 /nfs/dbraw/zinc/25/83/77/373258377.db2.gz PBONXJZDEMCBMH-KGLIPLIRSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(CC(N)=O)CC2)CC1 ZINC000054977765 373258839 /nfs/dbraw/zinc/25/88/39/373258839.db2.gz UKUSGZKGTAHYLX-ZDUSSCGKSA-N 1 1 311.430 -1.358 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[NH+](CCCF)CC1 ZINC000627961754 373259197 /nfs/dbraw/zinc/25/91/97/373259197.db2.gz KRKJPYCKUAQJET-JHJVBQTASA-N 1 1 302.346 -1.097 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000053056867 373259266 /nfs/dbraw/zinc/25/92/66/373259266.db2.gz KYZCLKFUEFIBCZ-UHFFFAOYSA-N 1 1 324.381 -1.272 20 0 DAADMO Cn1nc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1=O ZINC000058920780 373259336 /nfs/dbraw/zinc/25/93/36/373259336.db2.gz QZPBUCFLHNXKNV-UHFFFAOYSA-N 1 1 307.354 -1.326 20 0 DAADMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198414 373261264 /nfs/dbraw/zinc/26/12/64/373261264.db2.gz QUBDKTMFQLTBJE-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198414 373261269 /nfs/dbraw/zinc/26/12/69/373261269.db2.gz QUBDKTMFQLTBJE-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000186604929 373261376 /nfs/dbraw/zinc/26/13/76/373261376.db2.gz KXPZZVNHCJKKMO-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@H](O)C3)c2c(=O)n(C)c1=O ZINC000263860847 373262187 /nfs/dbraw/zinc/26/21/87/373262187.db2.gz IIMFYHTXIPCIMZ-JTQLQIEISA-N 1 1 307.354 -1.110 20 0 DAADMO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC(O)C1 ZINC000639582394 373279514 /nfs/dbraw/zinc/27/95/14/373279514.db2.gz AKVPQBDLHCAWCD-UHFFFAOYSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC(O)C1 ZINC000639582394 373279521 /nfs/dbraw/zinc/27/95/21/373279521.db2.gz AKVPQBDLHCAWCD-UHFFFAOYSA-N 1 1 319.427 -1.018 20 0 DAADMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639862273 373289012 /nfs/dbraw/zinc/28/90/12/373289012.db2.gz ZHZFKFYKUIMCIA-UONOGXRCSA-N 1 1 311.386 -1.328 20 0 DAADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639862273 373289020 /nfs/dbraw/zinc/28/90/20/373289020.db2.gz ZHZFKFYKUIMCIA-UONOGXRCSA-N 1 1 311.386 -1.328 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](Cn2ccnn2)C1 ZINC000639854552 373289682 /nfs/dbraw/zinc/28/96/82/373289682.db2.gz HVZORXVPAHRJNG-KGLIPLIRSA-N 1 1 313.402 -1.082 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2nccnn2)CC1 ZINC000628381023 373289900 /nfs/dbraw/zinc/28/99/00/373289900.db2.gz OBGXQNQYDIQJCK-ZDUSSCGKSA-N 1 1 317.397 -1.090 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCO[C@@H](Cn3ccnn3)C2)CC1 ZINC000639860651 373290013 /nfs/dbraw/zinc/29/00/13/373290013.db2.gz RXSUBMSJBPHQBR-CYBMUJFWSA-N 1 1 308.386 -1.247 20 0 DAADMO COCCCS(=O)(=O)NCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639870396 373293996 /nfs/dbraw/zinc/29/39/96/373293996.db2.gz IDOBSGQMJIMISB-LBPRGKRZSA-N 1 1 309.432 -1.449 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639867379 373294055 /nfs/dbraw/zinc/29/40/55/373294055.db2.gz DIGBPPIWBNFJNP-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639867379 373294059 /nfs/dbraw/zinc/29/40/59/373294059.db2.gz DIGBPPIWBNFJNP-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)CC2=O)cn1 ZINC000626461115 373294335 /nfs/dbraw/zinc/29/43/35/373294335.db2.gz OSATWEWPVVNPIL-NHYWBVRUSA-N 1 1 321.381 -1.044 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1=O ZINC000639943327 373304193 /nfs/dbraw/zinc/30/41/93/373304193.db2.gz XDZWQMMOLZBLPV-OKILXGFUSA-N 1 1 308.338 -1.135 20 0 DAADMO COCCN1CCCN(CC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000190772524 373304575 /nfs/dbraw/zinc/30/45/75/373304575.db2.gz GDYGVMYARMCFEQ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@]12C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@]1(C)C(=O)NC2=O ZINC000639946596 373306127 /nfs/dbraw/zinc/30/61/27/373306127.db2.gz DLTAZDOKVOLVRS-OKILXGFUSA-N 1 1 308.338 -2.071 20 0 DAADMO COC(=O)C1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000610604197 373307218 /nfs/dbraw/zinc/30/72/18/373307218.db2.gz GSEGAYNULLZVJV-TXEJJXNPSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000610604197 373307220 /nfs/dbraw/zinc/30/72/20/373307220.db2.gz GSEGAYNULLZVJV-TXEJJXNPSA-N 1 1 300.355 -1.175 20 0 DAADMO CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)NC(=O)NC)CCN2C1=O ZINC000610605662 373307445 /nfs/dbraw/zinc/30/74/45/373307445.db2.gz QROHOQDLFFERAG-VIFPVBQESA-N 1 1 311.342 -1.200 20 0 DAADMO C[C@H]1NC(=O)N(CCN(C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051704 373310109 /nfs/dbraw/zinc/31/01/09/373310109.db2.gz WTYJLLXFHSCKQU-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)CC(=O)N1CCN(C)CC1 ZINC000640051505 373310448 /nfs/dbraw/zinc/31/04/48/373310448.db2.gz OUCQNEFHZJMEDR-AWEZNQCLSA-N 1 1 316.446 -1.369 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000640085389 373311930 /nfs/dbraw/zinc/31/19/30/373311930.db2.gz FMKHABGWOVDPGD-VHSXEESVSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000640085389 373311935 /nfs/dbraw/zinc/31/19/35/373311935.db2.gz FMKHABGWOVDPGD-VHSXEESVSA-N 1 1 318.399 -1.060 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000610926850 373314887 /nfs/dbraw/zinc/31/48/87/373314887.db2.gz OCLBKZLSUQXLHE-ONGXEEELSA-N 1 1 311.342 -1.100 20 0 DAADMO COC(=O)c1cn(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000610926850 373314896 /nfs/dbraw/zinc/31/48/96/373314896.db2.gz OCLBKZLSUQXLHE-ONGXEEELSA-N 1 1 311.342 -1.100 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000048573920 373316694 /nfs/dbraw/zinc/31/66/94/373316694.db2.gz KOMBVYYMQDFTBZ-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000048573920 373316701 /nfs/dbraw/zinc/31/67/01/373316701.db2.gz KOMBVYYMQDFTBZ-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC000048580578 373316797 /nfs/dbraw/zinc/31/67/97/373316797.db2.gz LGEBWTILCIIKBJ-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC000048580578 373316802 /nfs/dbraw/zinc/31/68/02/373316802.db2.gz LGEBWTILCIIKBJ-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO NC(=O)Cn1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1=O ZINC000626597178 373324052 /nfs/dbraw/zinc/32/40/52/373324052.db2.gz WPCIWBISXFCEJI-LLVKDONJSA-N 1 1 323.353 -1.478 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(Cc2nc[nH]n2)CC1 ZINC000639722392 373282987 /nfs/dbraw/zinc/28/29/87/373282987.db2.gz ZVHITNTWZMRKNW-ZDUSSCGKSA-N 1 1 312.418 -1.139 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722392 373282997 /nfs/dbraw/zinc/28/29/97/373282997.db2.gz ZVHITNTWZMRKNW-ZDUSSCGKSA-N 1 1 312.418 -1.139 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722392 373283004 /nfs/dbraw/zinc/28/30/04/373283004.db2.gz ZVHITNTWZMRKNW-ZDUSSCGKSA-N 1 1 312.418 -1.139 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1CC[NH+](CCO)CC1 ZINC000193079529 373283538 /nfs/dbraw/zinc/28/35/38/373283538.db2.gz AVGBTVMZKCKTPR-UHFFFAOYSA-N 1 1 305.338 -1.368 20 0 DAADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](N)COC)CC1 ZINC000262400822 373333944 /nfs/dbraw/zinc/33/39/44/373333944.db2.gz ZRJIJVGUJGYNIN-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO COCCS(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262408530 373334291 /nfs/dbraw/zinc/33/42/91/373334291.db2.gz BXMRNAWZMVESCA-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCS(N)(=O)=O)C1 ZINC000611724187 373337035 /nfs/dbraw/zinc/33/70/35/373337035.db2.gz LYCYZECNRMWTRQ-NSHDSACASA-N 1 1 322.431 -1.069 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000612303117 373356142 /nfs/dbraw/zinc/35/61/42/373356142.db2.gz FJKVVLYMKDTSGE-KOLCDFICSA-N 1 1 304.416 -1.019 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC000612303116 373356957 /nfs/dbraw/zinc/35/69/57/373356957.db2.gz FJKVVLYMKDTSGE-GXSJLCMTSA-N 1 1 304.416 -1.019 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000612551052 373357725 /nfs/dbraw/zinc/35/77/25/373357725.db2.gz LILDUUYGACYVDO-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC000612524365 373358257 /nfs/dbraw/zinc/35/82/57/373358257.db2.gz VGAHNPSLCFLLLU-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000612523282 373358707 /nfs/dbraw/zinc/35/87/07/373358707.db2.gz OPYLUECCOHHYBB-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000612544019 373359171 /nfs/dbraw/zinc/35/91/71/373359171.db2.gz VFSWUKZZWSGQQT-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000612544019 373359175 /nfs/dbraw/zinc/35/91/75/373359175.db2.gz VFSWUKZZWSGQQT-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000612408404 373359287 /nfs/dbraw/zinc/35/92/87/373359287.db2.gz LKDJGKAUHMQBER-UHFFFAOYSA-N 1 1 321.385 -1.215 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)NC1=O ZINC000612524363 373359422 /nfs/dbraw/zinc/35/94/22/373359422.db2.gz VGAHNPSLCFLLLU-NWDGAFQWSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000612669681 373361047 /nfs/dbraw/zinc/36/10/47/373361047.db2.gz HIJYYRBFHOAQKI-ZJUUUORDSA-N 1 1 308.404 -1.782 20 0 DAADMO C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669681 373361054 /nfs/dbraw/zinc/36/10/54/373361054.db2.gz HIJYYRBFHOAQKI-ZJUUUORDSA-N 1 1 308.404 -1.782 20 0 DAADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000612660871 373361202 /nfs/dbraw/zinc/36/12/02/373361202.db2.gz SSXRWMORVHKYSS-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC(=O)NC(=O)N1 ZINC000612660867 373361976 /nfs/dbraw/zinc/36/19/76/373361976.db2.gz SSXRWMORVHKYSS-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000613036751 373363937 /nfs/dbraw/zinc/36/39/37/373363937.db2.gz WLCMPHJZELEHAX-NSHDSACASA-N 1 1 312.370 -1.110 20 0 DAADMO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000629805357 373409035 /nfs/dbraw/zinc/40/90/35/373409035.db2.gz YNACDKXILMMJCY-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO COCC(=O)N[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)C(C)C ZINC000629913779 373412866 /nfs/dbraw/zinc/41/28/66/373412866.db2.gz KSYNLAWOBYHIOV-AAEUAGOBSA-N 1 1 301.387 -1.044 20 0 DAADMO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629910608 373413187 /nfs/dbraw/zinc/41/31/87/373413187.db2.gz CATYKRRQXYIELE-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914221 373413224 /nfs/dbraw/zinc/41/32/24/373413224.db2.gz YVFIZTOHQHWBOB-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NCCN2CC[C@H](O)C2)CC1=O ZINC000629913581 373413964 /nfs/dbraw/zinc/41/39/64/373413964.db2.gz LLISRGCUCCIGHN-STQMWFEESA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916850 373415195 /nfs/dbraw/zinc/41/51/95/373415195.db2.gz XWLOZSLUJHKMFU-WFASDCNBSA-N 1 1 309.366 -1.218 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000629914895 373415845 /nfs/dbraw/zinc/41/58/45/373415845.db2.gz LNMSRGRYDROENU-JTQLQIEISA-N 1 1 314.367 -1.475 20 0 DAADMO CS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629918643 373416840 /nfs/dbraw/zinc/41/68/40/373416840.db2.gz OAVSIUDNDNNNIO-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)S(C)(=O)=O ZINC000640873395 373419321 /nfs/dbraw/zinc/41/93/21/373419321.db2.gz UZRQUTBYFFWYML-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)NC[C@@H]1COCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000634516728 373419837 /nfs/dbraw/zinc/41/98/37/373419837.db2.gz NUGMDRWYSBDMGP-GFCCVEGCSA-N 1 1 313.402 -1.610 20 0 DAADMO NS(=O)(=O)CCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000641798136 373427403 /nfs/dbraw/zinc/42/74/03/373427403.db2.gz LDFZNPBAEMRVAE-NSHDSACASA-N 1 1 304.416 -1.439 20 0 DAADMO Cn1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(=O)n(C)c1=O ZINC000640332782 373381918 /nfs/dbraw/zinc/38/19/18/373381918.db2.gz PTVYHPMCSKAHHM-JTQLQIEISA-N 1 1 324.385 -1.549 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629177240 373383075 /nfs/dbraw/zinc/38/30/75/373383075.db2.gz DGAGJEONBXEXOB-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CCN1CCN(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C(=O)C1=O ZINC000629176235 373383484 /nfs/dbraw/zinc/38/34/84/373383484.db2.gz JBRZUFAYYSTHDA-LLVKDONJSA-N 1 1 312.370 -2.140 20 0 DAADMO C[C@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1=O ZINC000629178139 373383774 /nfs/dbraw/zinc/38/37/74/373383774.db2.gz GQHUCDKZSCVIFE-IAQYHMDHSA-N 1 1 324.381 -1.110 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174117 373384597 /nfs/dbraw/zinc/38/45/97/373384597.db2.gz BLAVXMHRFGTKEP-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000629518773 373388143 /nfs/dbraw/zinc/38/81/43/373388143.db2.gz OPOIPPSFZSRKRY-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000629518773 373388157 /nfs/dbraw/zinc/38/81/57/373388157.db2.gz OPOIPPSFZSRKRY-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](N2CCOCC2)C1)N1CCNC(=O)C1 ZINC000572494355 373389424 /nfs/dbraw/zinc/38/94/24/373389424.db2.gz SNXPAEBXCOHRQX-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](N2CCOCC2)C1)N1CCNC(=O)C1 ZINC000572494355 373389433 /nfs/dbraw/zinc/38/94/33/373389433.db2.gz SNXPAEBXCOHRQX-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629564007 373397013 /nfs/dbraw/zinc/39/70/13/373397013.db2.gz JBKSJYWFXQNSKF-NSHDSACASA-N 1 1 316.383 -1.032 20 0 DAADMO CN(CC(=O)N1CCNCC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631901582 373440081 /nfs/dbraw/zinc/44/00/81/373440081.db2.gz IIUPNHCRUBSZNN-NSHDSACASA-N 1 1 320.415 -2.332 20 0 DAADMO COC[C@@]1(CNS(=O)(=O)C[C@H]2CNCCO2)CCC[NH2+]1 ZINC000631936426 373442037 /nfs/dbraw/zinc/44/20/37/373442037.db2.gz BVYMNJSNVLMHFM-NEPJUHHUSA-N 1 1 307.416 -1.337 20 0 DAADMO COCC1(CNS(=O)(=O)C[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC000631937058 373443252 /nfs/dbraw/zinc/44/32/52/373443252.db2.gz SGCLPHMLMMXEHK-LBPRGKRZSA-N 1 1 321.443 -1.090 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CCNS(C)(=O)=O ZINC000572521608 373446004 /nfs/dbraw/zinc/44/60/04/373446004.db2.gz LWULNRZECCVKDT-UHFFFAOYSA-N 1 1 308.448 -1.075 20 0 DAADMO CN(CCCNC(=O)CCNS(C)(=O)=O)CC[NH+](C)C ZINC000572521608 373446010 /nfs/dbraw/zinc/44/60/10/373446010.db2.gz LWULNRZECCVKDT-UHFFFAOYSA-N 1 1 308.448 -1.075 20 0 DAADMO C[NH2+]CCOCCN(C)C(=O)NCC(=O)N1CCNCC1 ZINC000627062688 373448112 /nfs/dbraw/zinc/44/81/12/373448112.db2.gz CHWUAEWQULCAPF-UHFFFAOYSA-N 1 1 301.391 -1.704 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502860 373481375 /nfs/dbraw/zinc/48/13/75/373481375.db2.gz DAAYLGLWMMCJDF-NEPJUHHUSA-N 1 1 319.413 -1.283 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCCN1 ZINC000627191168 373455196 /nfs/dbraw/zinc/45/51/96/373455196.db2.gz KNQCBRWAZLXDGU-GFCCVEGCSA-N 1 1 315.418 -1.364 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1COCCN1 ZINC000627191169 373455478 /nfs/dbraw/zinc/45/54/78/373455478.db2.gz KNQCBRWAZLXDGU-LBPRGKRZSA-N 1 1 315.418 -1.364 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000613521243 373459440 /nfs/dbraw/zinc/45/94/40/373459440.db2.gz BQUVXWADHQLIGA-ZYHUDNBSSA-N 1 1 320.415 -1.915 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000613521241 373459537 /nfs/dbraw/zinc/45/95/37/373459537.db2.gz BQUVXWADHQLIGA-JQWIXIFHSA-N 1 1 320.415 -1.915 20 0 DAADMO Cc1cc(N2CC[C@H](Nc3nc(N)nc(N)[nH+]3)C2=O)n(C)n1 ZINC000624004105 373461526 /nfs/dbraw/zinc/46/15/26/373461526.db2.gz VYIMLIQALRFPGW-ZETCQYMHSA-N 1 1 303.330 -1.622 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614511054 373481859 /nfs/dbraw/zinc/48/18/59/373481859.db2.gz DYQNTPPMVAOEDE-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@H](C)C1 ZINC000613656952 373464289 /nfs/dbraw/zinc/46/42/89/373464289.db2.gz XBPVXYCINROAKW-OMRXRXQOSA-N 1 1 314.382 -1.687 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000613672920 373467352 /nfs/dbraw/zinc/46/73/52/373467352.db2.gz YQNAOFZIWPCSQG-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[N@@H+]1CCO ZINC000613696717 373467453 /nfs/dbraw/zinc/46/74/53/373467453.db2.gz WBXMISBVPJWFGC-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[C@H]1CN(C(=O)C2(n3cnnn3)CCOCC2)CC[N@H+]1CCO ZINC000613696717 373467462 /nfs/dbraw/zinc/46/74/62/373467462.db2.gz WBXMISBVPJWFGC-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000614505215 373482043 /nfs/dbraw/zinc/48/20/43/373482043.db2.gz LGDNFNBJTNJKBV-AAVRWANBSA-N 1 1 311.382 -2.095 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000613789528 373468970 /nfs/dbraw/zinc/46/89/70/373468970.db2.gz DKFIQIQFZGLQGH-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000614024818 373473305 /nfs/dbraw/zinc/47/33/05/373473305.db2.gz ALEMWCWQRPVUQR-IJLUTSLNSA-N 1 1 308.338 -1.529 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614074963 373475188 /nfs/dbraw/zinc/47/51/88/373475188.db2.gz YEDQDOFMJHFLKV-WFASDCNBSA-N 1 1 307.350 -1.414 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614074960 373475626 /nfs/dbraw/zinc/47/56/26/373475626.db2.gz YEDQDOFMJHFLKV-IUODEOHRSA-N 1 1 307.350 -1.414 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614074958 373475960 /nfs/dbraw/zinc/47/59/60/373475960.db2.gz YEDQDOFMJHFLKV-DOMZBBRYSA-N 1 1 307.350 -1.414 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506074 373482511 /nfs/dbraw/zinc/48/25/11/373482511.db2.gz VGGQFCICTZPKGA-NSHDSACASA-N 1 1 319.431 -2.112 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000627262332 373490946 /nfs/dbraw/zinc/49/09/46/373490946.db2.gz LZKLKKAPTZVBFK-CHWSQXEVSA-N 1 1 310.398 -1.572 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627266129 373493874 /nfs/dbraw/zinc/49/38/74/373493874.db2.gz UZMHKCZVUKTCSK-WOPDTQHZSA-N 1 1 320.397 -1.122 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000539525440 373495491 /nfs/dbraw/zinc/49/54/91/373495491.db2.gz DGSJUXIIXIFVKV-SNVBAGLBSA-N 1 1 315.399 -1.012 20 0 DAADMO CN(CC(=O)N[C@H](CO)C[NH+](C)C)c1ncnc2[nH]cnc21 ZINC000614854344 373495676 /nfs/dbraw/zinc/49/56/76/373495676.db2.gz NHCRWTFZIUFVIE-VIFPVBQESA-N 1 1 307.358 -1.172 20 0 DAADMO C[N@@H+](CC(=O)NCCN1CCNC(=O)C1)[C@H]1CCSC1 ZINC000541902145 373498632 /nfs/dbraw/zinc/49/86/32/373498632.db2.gz PSKHDNNQLQTICX-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000541814148 373498825 /nfs/dbraw/zinc/49/88/25/373498825.db2.gz RLOMUTDQMQYBJG-ZIAGYGMSSA-N 1 1 311.430 -1.042 20 0 DAADMO C[C@H](C(=O)NCCN1CCNC(=O)C1)[NH+]1CCSCC1 ZINC000541903742 373499208 /nfs/dbraw/zinc/49/92/08/373499208.db2.gz WSIXJSOAIKQFBO-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO C[N@@H+](CC(=O)NCCN1CCNC(=O)C1)[C@@H]1CCSC1 ZINC000541902144 373499601 /nfs/dbraw/zinc/49/96/01/373499601.db2.gz PSKHDNNQLQTICX-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO Cc1nn(CC(=O)N2CC(C[NH+]3CCOCC3)C2)c(=O)n1C ZINC000615147328 373506249 /nfs/dbraw/zinc/50/62/49/373506249.db2.gz COSSMHQGNITYPB-UHFFFAOYSA-N 1 1 309.370 -1.319 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000615275651 373508531 /nfs/dbraw/zinc/50/85/31/373508531.db2.gz MYPVYJWGFUFZAL-MNOVXSKESA-N 1 1 322.369 -1.301 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000615276141 373508580 /nfs/dbraw/zinc/50/85/80/373508580.db2.gz PWQUHPUIBBEHKQ-QJPTWQEYSA-N 1 1 317.411 -1.000 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000554702309 373510888 /nfs/dbraw/zinc/51/08/88/373510888.db2.gz YARHSTYESGFPQC-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000554702310 373512108 /nfs/dbraw/zinc/51/21/08/373512108.db2.gz YARHSTYESGFPQC-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CNS(=O)(=O)CC)CC1 ZINC000554929821 373515622 /nfs/dbraw/zinc/51/56/22/373515622.db2.gz FQZHHZMTKZWVNT-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO C[NH2+][C@@H](C(=O)N1CCN(CCOC)C(=O)C1)c1cnn(C)c1 ZINC000565538263 373521311 /nfs/dbraw/zinc/52/13/11/373521311.db2.gz MVNQQKIZYUFBRM-CYBMUJFWSA-N 1 1 309.370 -1.002 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000565308329 373522091 /nfs/dbraw/zinc/52/20/91/373522091.db2.gz SXPNFHWWGFTBKV-NSHDSACASA-N 1 1 322.431 -1.102 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](S(N)(=O)=O)C1 ZINC000565165616 373522266 /nfs/dbraw/zinc/52/22/66/373522266.db2.gz PJPGADNHOMMMOW-NEPJUHHUSA-N 1 1 309.432 -1.322 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566206467 373524860 /nfs/dbraw/zinc/52/48/60/373524860.db2.gz AJXUDEMDXPWHGA-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413761 373526759 /nfs/dbraw/zinc/52/67/59/373526759.db2.gz IQIAFWSALROSMK-OLZOCXBDSA-N 1 1 323.459 -1.061 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413760 373527619 /nfs/dbraw/zinc/52/76/19/373527619.db2.gz IQIAFWSALROSMK-CHWSQXEVSA-N 1 1 323.459 -1.061 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566620930 373530811 /nfs/dbraw/zinc/53/08/11/373530811.db2.gz IXLAJNZTWPUXEO-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000614505220 373482844 /nfs/dbraw/zinc/48/28/44/373482844.db2.gz LGDNFNBJTNJKBV-REWJHTLYSA-N 1 1 311.382 -2.095 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502861 373483034 /nfs/dbraw/zinc/48/30/34/373483034.db2.gz DAAYLGLWMMCJDF-NWDGAFQWSA-N 1 1 319.413 -1.283 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)S1(=O)=O ZINC000614514293 373484826 /nfs/dbraw/zinc/48/48/26/373484826.db2.gz LTECVOZRMDQNGD-NEPJUHHUSA-N 1 1 316.427 -1.474 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C1 ZINC000529739439 373485613 /nfs/dbraw/zinc/48/56/13/373485613.db2.gz MZHMXESIQHCIOR-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)NC)C2)C1 ZINC000529739439 373485627 /nfs/dbraw/zinc/48/56/27/373485627.db2.gz MZHMXESIQHCIOR-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NC[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528623906 373487220 /nfs/dbraw/zinc/48/72/20/373487220.db2.gz ILINMLXNGFRBFB-GFCCVEGCSA-N 1 1 313.402 -1.610 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000578012920 373580553 /nfs/dbraw/zinc/58/05/53/373580553.db2.gz MEAUYYNZHOVKKB-XQQFMLRXSA-N 1 1 304.387 -1.076 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC000623635660 373581458 /nfs/dbraw/zinc/58/14/58/373581458.db2.gz QIMOPGADXIZROB-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H](CC(N)=O)C2)C1 ZINC000623635663 373581869 /nfs/dbraw/zinc/58/18/69/373581869.db2.gz QIMOPGADXIZROB-VXGBXAGGSA-N 1 1 314.386 -1.007 20 0 DAADMO CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000578339274 373582141 /nfs/dbraw/zinc/58/21/41/373582141.db2.gz BUQZRGRGEHSTRW-GFCCVEGCSA-N 1 1 307.354 -1.089 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](O)Cc2cnn(C)c2)CC1 ZINC000578629874 373583924 /nfs/dbraw/zinc/58/39/24/373583924.db2.gz LQWNDBQGCSIMKQ-ZDUSSCGKSA-N 1 1 323.397 -1.396 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578784354 373586675 /nfs/dbraw/zinc/58/66/75/373586675.db2.gz IOQGVNSXSZQPMC-USZNOCQGSA-N 1 1 319.427 -1.715 20 0 DAADMO CN(CCN1CCOCC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000579207829 373589413 /nfs/dbraw/zinc/58/94/13/373589413.db2.gz FQSDYACPKRCWRX-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000579387737 373591773 /nfs/dbraw/zinc/59/17/73/373591773.db2.gz IWUAZYAQPBIUEH-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000579758401 373593924 /nfs/dbraw/zinc/59/39/24/373593924.db2.gz BPVYFPRFAVQVGJ-XQHKEYJVSA-N 1 1 313.398 -1.226 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569045589 373547571 /nfs/dbraw/zinc/54/75/71/373547571.db2.gz BIECJNPJJLXOEE-MDZLAQPJSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000569045589 373547584 /nfs/dbraw/zinc/54/75/84/373547584.db2.gz BIECJNPJJLXOEE-MDZLAQPJSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000579805921 373594982 /nfs/dbraw/zinc/59/49/82/373594982.db2.gz BBWVQJYWSSQPEC-ABAIWWIYSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000573801356 373555542 /nfs/dbraw/zinc/55/55/42/373555542.db2.gz OSPHIDLLHNBCBJ-UHFFFAOYSA-N 1 1 313.383 -1.521 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573606224 373556975 /nfs/dbraw/zinc/55/69/75/373556975.db2.gz JVZPGVMCZRLZEL-VIFPVBQESA-N 1 1 318.399 -2.043 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000574452542 373560734 /nfs/dbraw/zinc/56/07/34/373560734.db2.gz BRCKSQXHUBIJEO-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000574452542 373560742 /nfs/dbraw/zinc/56/07/42/373560742.db2.gz BRCKSQXHUBIJEO-LLVKDONJSA-N 1 1 304.416 -1.439 20 0 DAADMO CCN1CCN(CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000574768111 373561213 /nfs/dbraw/zinc/56/12/13/373561213.db2.gz IYDLIBMAXVSOED-CYBMUJFWSA-N 1 1 313.446 -1.194 20 0 DAADMO Cn1nncc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000575058835 373565359 /nfs/dbraw/zinc/56/53/59/373565359.db2.gz YGGCWXAJPSINGA-UHFFFAOYSA-N 1 1 314.371 -2.126 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000575929350 373568012 /nfs/dbraw/zinc/56/80/12/373568012.db2.gz XDCRZCDIHPDCEL-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000575929350 373568020 /nfs/dbraw/zinc/56/80/20/373568020.db2.gz XDCRZCDIHPDCEL-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000575929349 373568529 /nfs/dbraw/zinc/56/85/29/373568529.db2.gz XDCRZCDIHPDCEL-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CN(C)S(=O)(=O)N(C)C ZINC000575929349 373568532 /nfs/dbraw/zinc/56/85/32/373568532.db2.gz XDCRZCDIHPDCEL-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000576943262 373570060 /nfs/dbraw/zinc/57/00/60/373570060.db2.gz DEQDFDGNKBJQQQ-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO C[C@H]1COCCN1CC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC000580552846 373570710 /nfs/dbraw/zinc/57/07/10/373570710.db2.gz CCRUKTMSNAOUFN-GJZGRUSLSA-N 1 1 300.447 -1.095 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(CC(=O)NCCOC)CC1 ZINC000577046894 373574310 /nfs/dbraw/zinc/57/43/10/373574310.db2.gz SQXVAAJXYKUFDI-CQSZACIVSA-N 1 1 316.446 -1.321 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000577288931 373574772 /nfs/dbraw/zinc/57/47/72/373574772.db2.gz LMPPQCFDNKVDEZ-LLVKDONJSA-N 1 1 319.431 -2.112 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNS(C)(=O)=O)CC1 ZINC000058920745 373621686 /nfs/dbraw/zinc/62/16/86/373621686.db2.gz ZYKFUWDVFBHXKU-UHFFFAOYSA-N 1 1 320.415 -1.794 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC000069577462 373624886 /nfs/dbraw/zinc/62/48/86/373624886.db2.gz PKIAYDPXHNDDNK-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO Cn1cnc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000069112978 373625974 /nfs/dbraw/zinc/62/59/74/373625974.db2.gz MEVSSRGXKDVEFQ-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000618675309 373632140 /nfs/dbraw/zinc/63/21/40/373632140.db2.gz DRQFIPJICYCVKS-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000618675309 373632149 /nfs/dbraw/zinc/63/21/49/373632149.db2.gz DRQFIPJICYCVKS-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(C)CCOC ZINC000627353337 373658081 /nfs/dbraw/zinc/65/80/81/373658081.db2.gz ZLWFUHUTIPMXTA-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO CN(C)C(=O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000619758613 373639396 /nfs/dbraw/zinc/63/93/96/373639396.db2.gz HOCMVCAHDLYLRP-UHFFFAOYSA-N 1 1 323.397 -1.710 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000627312702 373643835 /nfs/dbraw/zinc/64/38/35/373643835.db2.gz GIQVCLDUAUDIPR-FRRDWIJNSA-N 1 1 311.430 -1.395 20 0 DAADMO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000627312702 373643841 /nfs/dbraw/zinc/64/38/41/373643841.db2.gz GIQVCLDUAUDIPR-FRRDWIJNSA-N 1 1 311.430 -1.395 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627313255 373644568 /nfs/dbraw/zinc/64/45/68/373644568.db2.gz ZXURNWBOBASUJO-OLZOCXBDSA-N 1 1 323.441 -1.251 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627313255 373644574 /nfs/dbraw/zinc/64/45/74/373644574.db2.gz ZXURNWBOBASUJO-OLZOCXBDSA-N 1 1 323.441 -1.251 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000621287379 373646944 /nfs/dbraw/zinc/64/69/44/373646944.db2.gz LVZNPXXLEOSCAN-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000621287379 373646949 /nfs/dbraw/zinc/64/69/49/373646949.db2.gz LVZNPXXLEOSCAN-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621839287 373649392 /nfs/dbraw/zinc/64/93/92/373649392.db2.gz QNJMUNDZEXXMMU-WOSRLPQWSA-N 1 1 323.441 -1.312 20 0 DAADMO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627331836 373649617 /nfs/dbraw/zinc/64/96/17/373649617.db2.gz JMADSAGUKFEWBC-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000623783155 373650735 /nfs/dbraw/zinc/65/07/35/373650735.db2.gz GOMLPQZSZAUYOF-SRVKXCTJSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000623783155 373650747 /nfs/dbraw/zinc/65/07/47/373650747.db2.gz GOMLPQZSZAUYOF-SRVKXCTJSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000623783156 373651400 /nfs/dbraw/zinc/65/14/00/373651400.db2.gz GOMLPQZSZAUYOF-TUAOUCFPSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000623783156 373651406 /nfs/dbraw/zinc/65/14/06/373651406.db2.gz GOMLPQZSZAUYOF-TUAOUCFPSA-N 1 1 314.386 -1.009 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000066421400 373651758 /nfs/dbraw/zinc/65/17/58/373651758.db2.gz CGOVIVFOUGXJBR-SNVBAGLBSA-N 1 1 318.399 -1.058 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627349672 373655168 /nfs/dbraw/zinc/65/51/68/373655168.db2.gz VVLVGOCLHQWPQO-WZRBSPASSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627349672 373655177 /nfs/dbraw/zinc/65/51/77/373655177.db2.gz VVLVGOCLHQWPQO-WZRBSPASSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627349670 373655884 /nfs/dbraw/zinc/65/58/84/373655884.db2.gz VVLVGOCLHQWPQO-NQBHXWOUSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627349670 373655894 /nfs/dbraw/zinc/65/58/94/373655894.db2.gz VVLVGOCLHQWPQO-NQBHXWOUSA-N 1 1 310.398 -1.310 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(C)(=O)=O)CC1 ZINC000383930025 373601995 /nfs/dbraw/zinc/60/19/95/373601995.db2.gz VCRTVPCNQNIECS-GFCCVEGCSA-N 1 1 309.432 -1.497 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000627349262 373656019 /nfs/dbraw/zinc/65/60/19/373656019.db2.gz HZVGQJTXMAYYLL-DGCLKSJQSA-N 1 1 312.414 -1.063 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[NH+](CCO)CC1 ZINC000022817871 373606078 /nfs/dbraw/zinc/60/60/78/373606078.db2.gz JUHKAMOZRREUFG-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037808950 373606672 /nfs/dbraw/zinc/60/66/72/373606672.db2.gz AXZIKKDWFBTXMM-SECBINFHSA-N 1 1 308.429 -1.401 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000627349263 373656240 /nfs/dbraw/zinc/65/62/40/373656240.db2.gz HZVGQJTXMAYYLL-WCQYABFASA-N 1 1 312.414 -1.063 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1=O ZINC000615545842 373608222 /nfs/dbraw/zinc/60/82/22/373608222.db2.gz XKQYACCISCUZTH-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CN1CCN(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1=O ZINC000581952632 373608959 /nfs/dbraw/zinc/60/89/59/373608959.db2.gz QFMWNMHXQPGPHY-UHFFFAOYSA-N 1 1 306.370 -1.168 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1=O ZINC000615545841 373609097 /nfs/dbraw/zinc/60/90/97/373609097.db2.gz XKQYACCISCUZTH-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000615480611 373609952 /nfs/dbraw/zinc/60/99/52/373609952.db2.gz PGZFQSGJLBIWPW-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615656351 373611013 /nfs/dbraw/zinc/61/10/13/373611013.db2.gz DYMSPJSONKOEMC-REWJHTLYSA-N 1 1 314.382 -1.638 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000627349261 373656865 /nfs/dbraw/zinc/65/68/65/373656865.db2.gz HZVGQJTXMAYYLL-AAEUAGOBSA-N 1 1 312.414 -1.063 20 0 DAADMO CC(=O)NCCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000046226636 373618499 /nfs/dbraw/zinc/61/84/99/373618499.db2.gz HARCTMMOIGSPHF-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO COCC[NH+]1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000045586728 373619459 /nfs/dbraw/zinc/61/94/59/373619459.db2.gz VZDQDMAYJOFWED-UHFFFAOYSA-N 1 1 308.404 -1.491 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC000061649854 373621541 /nfs/dbraw/zinc/62/15/41/373621541.db2.gz PVDZSDUHWDUSSP-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC000632214363 373709509 /nfs/dbraw/zinc/70/95/09/373709509.db2.gz YXPBEPLFYVUOAB-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000632213076 373709906 /nfs/dbraw/zinc/70/99/06/373709906.db2.gz BWHSSVHSABTFEU-WCQYABFASA-N 1 1 317.411 -1.264 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000632214057 373710182 /nfs/dbraw/zinc/71/01/82/373710182.db2.gz QMJDWJRYJUTANF-NWDGAFQWSA-N 1 1 307.416 -1.697 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000623829696 373661418 /nfs/dbraw/zinc/66/14/18/373661418.db2.gz RUKBVUSHRPMMGP-UHFFFAOYSA-N 1 1 322.373 -2.322 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCCCN1c1nc(N)nc(N)[nH+]1 ZINC000623852983 373662066 /nfs/dbraw/zinc/66/20/66/373662066.db2.gz IZXMZDPBHCHVAB-SSDOTTSWSA-N 1 1 301.376 -1.395 20 0 DAADMO Nc1nc(N)[nH+]c(NCCS(=O)(=O)N2CCSCC2)n1 ZINC000623953693 373662764 /nfs/dbraw/zinc/66/27/64/373662764.db2.gz MMWGVQUDTYPSIU-UHFFFAOYSA-N 1 1 319.416 -2.091 20 0 DAADMO CC(C)NC(=O)C(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623819379 373662960 /nfs/dbraw/zinc/66/29/60/373662960.db2.gz ZVWNDCBBCATVGY-UHFFFAOYSA-N 1 1 308.346 -2.130 20 0 DAADMO CCS(=O)(=O)N1CCC(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000624100746 373664678 /nfs/dbraw/zinc/66/46/78/373664678.db2.gz BJDGJHYDKQTQOA-UHFFFAOYSA-N 1 1 315.403 -1.408 20 0 DAADMO Cn1ccnc1CN1CCC[C@H](Nc2nc(N)nc(N)[nH+]2)C1=O ZINC000624095393 373664800 /nfs/dbraw/zinc/66/48/00/373664800.db2.gz BUBGUBGRCRYPBY-QMMMGPOBSA-N 1 1 317.357 -1.545 20 0 DAADMO Nc1nc(N)[nH+]c(NC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000624027081 373664849 /nfs/dbraw/zinc/66/48/49/373664849.db2.gz FQQSHOVFWODYFF-UHFFFAOYSA-N 1 1 313.387 -1.513 20 0 DAADMO CN1C(=O)N[C@]2(CCC[C@H]2CNc2nc(N)nc(N)[nH+]2)C1=O ZINC000624018644 373665654 /nfs/dbraw/zinc/66/56/54/373665654.db2.gz VUIRFUFTJJOTET-QTTZVWFDSA-N 1 1 306.330 -1.749 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624032180 373665919 /nfs/dbraw/zinc/66/59/19/373665919.db2.gz CCUAWJPHGKFUQO-RNFRBKRXSA-N 1 1 301.376 -1.752 20 0 DAADMO CN(C[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1)S(C)(=O)=O ZINC000624209871 373666898 /nfs/dbraw/zinc/66/68/98/373666898.db2.gz UWKZFCMUFWOBJV-QMMMGPOBSA-N 1 1 315.403 -1.195 20 0 DAADMO CN(C[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1)S(C)(=O)=O ZINC000624209870 373666924 /nfs/dbraw/zinc/66/69/24/373666924.db2.gz UWKZFCMUFWOBJV-MRVPVSSYSA-N 1 1 315.403 -1.195 20 0 DAADMO Cn1nccc1[C@H]1[C@H](Nc2nc(N)nc(N)[nH+]2)CC(=O)N1C ZINC000624207935 373666991 /nfs/dbraw/zinc/66/69/91/373666991.db2.gz VFWKJKBUDIMOPQ-HZGVNTEJSA-N 1 1 303.330 -1.764 20 0 DAADMO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000624283614 373667662 /nfs/dbraw/zinc/66/76/62/373667662.db2.gz UTZBXGRHCZCEJU-VIFPVBQESA-N 1 1 311.429 -1.356 20 0 DAADMO CCS(=O)(=O)N1CCN(c2nc(N)nc(N)[nH+]2)[C@H](C)C1 ZINC000624221157 373667737 /nfs/dbraw/zinc/66/77/37/373667737.db2.gz PTKUYYYDRXLDPG-SSDOTTSWSA-N 1 1 301.376 -1.443 20 0 DAADMO COCCn1cc([C@@H]2OCC[C@H]2Nc2nc(N)nc(N)[nH+]2)cn1 ZINC000624377715 373668197 /nfs/dbraw/zinc/66/81/97/373668197.db2.gz VFZLDABBTOYHQM-ZJUUUORDSA-N 1 1 320.357 -1.096 20 0 DAADMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)C2COC2)C1 ZINC000624361387 373668541 /nfs/dbraw/zinc/66/85/41/373668541.db2.gz JIKSOVHYXRKYLC-JTQLQIEISA-N 1 1 303.384 -1.389 20 0 DAADMO CNS(=O)(=O)NC1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624174862 373668812 /nfs/dbraw/zinc/66/88/12/373668812.db2.gz FNDNPKDCJPUHBK-UHFFFAOYSA-N 1 1 302.364 -2.281 20 0 DAADMO Cn1c(NCCC[N@H+]2CCC[C@H]2C(N)=O)cc(=O)n(C)c1=O ZINC000624510032 373670642 /nfs/dbraw/zinc/67/06/42/373670642.db2.gz IXICSNHEBDKBON-JTQLQIEISA-N 1 1 309.370 -1.164 20 0 DAADMO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627357847 373670710 /nfs/dbraw/zinc/67/07/10/373670710.db2.gz SFLKSILMRYXMJG-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627357847 373670715 /nfs/dbraw/zinc/67/07/15/373670715.db2.gz SFLKSILMRYXMJG-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000632421753 373717912 /nfs/dbraw/zinc/71/79/12/373717912.db2.gz YSMCYDUEXSZAPZ-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)CC1 ZINC000632432685 373718106 /nfs/dbraw/zinc/71/81/06/373718106.db2.gz XJZJBJMZGQKPHH-QWRGUYRKSA-N 1 1 317.411 -1.000 20 0 DAADMO CCOC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000627419266 373676589 /nfs/dbraw/zinc/67/65/89/373676589.db2.gz RFCOAUOGTUAHCA-VIFPVBQESA-N 1 1 309.313 -1.040 20 0 DAADMO NC(=O)C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000627419084 373676846 /nfs/dbraw/zinc/67/68/46/373676846.db2.gz LYAKIABWJJQPAA-SSDOTTSWSA-N 1 1 308.285 -2.201 20 0 DAADMO CCN1CCCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627464241 373679933 /nfs/dbraw/zinc/67/99/33/373679933.db2.gz VLURXVZTEVOGON-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N(CCO)CCOCCO)CC1 ZINC000632441856 373718483 /nfs/dbraw/zinc/71/84/83/373718483.db2.gz MDZDBNGREOLRFC-UHFFFAOYSA-N 1 1 310.416 -1.286 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470109 373682080 /nfs/dbraw/zinc/68/20/80/373682080.db2.gz LOOSBYRNMVHDHX-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627473378 373682482 /nfs/dbraw/zinc/68/24/82/373682482.db2.gz MHOKKXJJHSWCPJ-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627473378 373682486 /nfs/dbraw/zinc/68/24/86/373682486.db2.gz MHOKKXJJHSWCPJ-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475678 373683863 /nfs/dbraw/zinc/68/38/63/373683863.db2.gz RYDBCKSIWMXRKY-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475678 373683876 /nfs/dbraw/zinc/68/38/76/373683876.db2.gz RYDBCKSIWMXRKY-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627474336 373684640 /nfs/dbraw/zinc/68/46/40/373684640.db2.gz LUOQMFNBRPPHJB-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[NH2+]1 ZINC000627476480 373684684 /nfs/dbraw/zinc/68/46/84/373684684.db2.gz GBUAMHWEPBHBMK-MROQNXINSA-N 1 1 310.398 -1.480 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[NH+](CCCF)CC1 ZINC000627962193 373694896 /nfs/dbraw/zinc/69/48/96/373694896.db2.gz DXYGBOLGCNXGBK-UHFFFAOYSA-N 1 1 310.395 -1.114 20 0 DAADMO CN(C)CC(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631758077 373695992 /nfs/dbraw/zinc/69/59/92/373695992.db2.gz QKGUMGNBTGZQHL-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CNC(=O)CN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631764488 373696025 /nfs/dbraw/zinc/69/60/25/373696025.db2.gz KRDNJHCEMCKPNC-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H]1CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000631840736 373698857 /nfs/dbraw/zinc/69/88/57/373698857.db2.gz VBDGWOWOPPYJPJ-GHMZBOCLSA-N 1 1 320.397 -1.040 20 0 DAADMO CN(CCOCC[NH3+])S(=O)(=O)CCCN1CCN(C)CC1 ZINC000631955845 373702764 /nfs/dbraw/zinc/70/27/64/373702764.db2.gz QAFZMQHIMXEPAF-UHFFFAOYSA-N 1 1 322.475 -1.139 20 0 DAADMO CCO[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631947735 373703525 /nfs/dbraw/zinc/70/35/25/373703525.db2.gz LGQQWWQFFATPAL-IJLUTSLNSA-N 1 1 307.416 -1.400 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000631962305 373704244 /nfs/dbraw/zinc/70/42/44/373704244.db2.gz HJIKQXSIPSVFFX-UHFFFAOYSA-N 1 1 304.372 -1.448 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000632537933 373722248 /nfs/dbraw/zinc/72/22/48/373722248.db2.gz AUBHGPZRWPDRKW-QJPTWQEYSA-N 1 1 317.411 -1.312 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000632537933 373722255 /nfs/dbraw/zinc/72/22/55/373722255.db2.gz AUBHGPZRWPDRKW-QJPTWQEYSA-N 1 1 317.411 -1.312 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632551564 373722373 /nfs/dbraw/zinc/72/23/73/373722373.db2.gz DQNPOCCSALBEIJ-VHSXEESVSA-N 1 1 314.429 -1.331 20 0 DAADMO CNS(=O)(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000632726336 373724914 /nfs/dbraw/zinc/72/49/14/373724914.db2.gz ICAVVKIGMMUXBM-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000633111445 373730738 /nfs/dbraw/zinc/73/07/38/373730738.db2.gz QDQSIMYCYDUQEX-FVCCEPFGSA-N 1 1 310.398 -1.683 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2cncn2)CC1=O ZINC000633105726 373731358 /nfs/dbraw/zinc/73/13/58/373731358.db2.gz NOOOWTIWCHMMHL-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000633473111 373732597 /nfs/dbraw/zinc/73/25/97/373732597.db2.gz QCMBMKHRZIJDMN-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000633473111 373732612 /nfs/dbraw/zinc/73/26/12/373732612.db2.gz QCMBMKHRZIJDMN-WDEREUQCSA-N 1 1 322.431 -1.056 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000633473109 373733280 /nfs/dbraw/zinc/73/32/80/373733280.db2.gz QCMBMKHRZIJDMN-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000633473109 373733285 /nfs/dbraw/zinc/73/32/85/373733285.db2.gz QCMBMKHRZIJDMN-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000633875897 373734920 /nfs/dbraw/zinc/73/49/20/373734920.db2.gz DWYOGCHLZLGKFY-GJZGRUSLSA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001192467270 781962865 /nfs/dbraw/zinc/96/28/65/781962865.db2.gz GRGLEGWBHINAEW-DJLDLDEBSA-N 1 1 324.328 -1.514 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001192467270 781962872 /nfs/dbraw/zinc/96/28/72/781962872.db2.gz GRGLEGWBHINAEW-DJLDLDEBSA-N 1 1 324.328 -1.514 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192444194 781965683 /nfs/dbraw/zinc/96/56/83/781965683.db2.gz JFVMXKFOHRXSET-JHJVBQTASA-N 1 1 315.370 -2.367 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476980 781965964 /nfs/dbraw/zinc/96/59/64/781965964.db2.gz QAGYSBHRHBFDDG-GMTAPVOTSA-N 1 1 313.354 -1.086 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001192453896 781967066 /nfs/dbraw/zinc/96/70/66/781967066.db2.gz VFHAMIJGXKTRIZ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494213 781967007 /nfs/dbraw/zinc/96/70/07/781967007.db2.gz FVCSIZQZYXTEPQ-JHJVBQTASA-N 1 1 310.354 -1.812 20 0 DAADMO C[C@@H]1[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CCC[N@H+]1C ZINC000458653295 545785549 /nfs/dbraw/zinc/78/55/49/545785549.db2.gz OAMMZKYLVSJVAZ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N(C)CCO)CC[N@@H+]1CC(C)(C)O ZINC000459813225 545785571 /nfs/dbraw/zinc/78/55/71/545785571.db2.gz LNAKXKQJZWYSQS-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N(C)CCO)CC[N@H+]1CC(C)(C)O ZINC000459813225 545785576 /nfs/dbraw/zinc/78/55/76/545785576.db2.gz LNAKXKQJZWYSQS-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001192453896 781967071 /nfs/dbraw/zinc/96/70/71/781967071.db2.gz VFHAMIJGXKTRIZ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001192495015 781967437 /nfs/dbraw/zinc/96/74/37/781967437.db2.gz NTFNVKWINYMVGD-QJPTWQEYSA-N 1 1 312.370 -1.315 20 0 DAADMO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192495014 781967677 /nfs/dbraw/zinc/96/76/77/781967677.db2.gz NTFNVKWINYMVGD-IJLUTSLNSA-N 1 1 312.370 -1.315 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192462893 781967922 /nfs/dbraw/zinc/96/79/22/781967922.db2.gz NHWQHBXGUXSRRM-GHMZBOCLSA-N 1 1 312.370 -2.190 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192462893 781967927 /nfs/dbraw/zinc/96/79/27/781967927.db2.gz NHWQHBXGUXSRRM-GHMZBOCLSA-N 1 1 312.370 -2.190 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000106394691 194205693 /nfs/dbraw/zinc/20/56/93/194205693.db2.gz UXHZPQNMJBIKIV-LBPRGKRZSA-N 1 1 324.381 -1.538 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550090 781969331 /nfs/dbraw/zinc/96/93/31/781969331.db2.gz CXOZXLPRSNSERQ-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550090 781969338 /nfs/dbraw/zinc/96/93/38/781969338.db2.gz CXOZXLPRSNSERQ-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192484096 781969997 /nfs/dbraw/zinc/96/99/97/781969997.db2.gz KEAYFIMVXZCZHB-IJLUTSLNSA-N 1 1 313.358 -2.163 20 0 DAADMO COC(=O)c1ncccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001192507777 781970020 /nfs/dbraw/zinc/97/00/20/781970020.db2.gz LXMASPIJMPUOHR-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559277 781970107 /nfs/dbraw/zinc/97/01/07/781970107.db2.gz HHMMKIHVUGVQLW-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559277 781970116 /nfs/dbraw/zinc/97/01/16/781970116.db2.gz HHMMKIHVUGVQLW-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000532708691 269706612 /nfs/dbraw/zinc/70/66/12/269706612.db2.gz WGDVXWSAFKBVFN-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000532708691 269706613 /nfs/dbraw/zinc/70/66/13/269706613.db2.gz WGDVXWSAFKBVFN-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2cncc3ncnn32)CC1 ZINC000424189454 269707689 /nfs/dbraw/zinc/70/76/89/269707689.db2.gz NHFGQGJTKDZKDE-LLVKDONJSA-N 1 1 317.353 -1.239 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192563880 781971899 /nfs/dbraw/zinc/97/18/99/781971899.db2.gz PPQHFBNZHOMJOA-OPRDCNLKSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001192563880 781971906 /nfs/dbraw/zinc/97/19/06/781971906.db2.gz PPQHFBNZHOMJOA-OPRDCNLKSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192563879 781972066 /nfs/dbraw/zinc/97/20/66/781972066.db2.gz PPQHFBNZHOMJOA-KXUCPTDWSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192563879 781972069 /nfs/dbraw/zinc/97/20/69/781972069.db2.gz PPQHFBNZHOMJOA-KXUCPTDWSA-N 1 1 303.315 -2.735 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192615405 781973057 /nfs/dbraw/zinc/97/30/57/781973057.db2.gz LQWUPQRWMKZVNO-JHJVBQTASA-N 1 1 302.371 -1.418 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192615405 781973064 /nfs/dbraw/zinc/97/30/64/781973064.db2.gz LQWUPQRWMKZVNO-JHJVBQTASA-N 1 1 302.371 -1.418 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001192607591 781973274 /nfs/dbraw/zinc/97/32/74/781973274.db2.gz PFSQUALPVACDBL-VXGBXAGGSA-N 1 1 304.387 -1.028 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192607606 781973408 /nfs/dbraw/zinc/97/34/08/781973408.db2.gz PZFPSDACLJUIEH-GRYCIOLGSA-N 1 1 313.398 -1.071 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC(C)(C)O)C2)C1=O ZINC001192607606 781973415 /nfs/dbraw/zinc/97/34/15/781973415.db2.gz PZFPSDACLJUIEH-GRYCIOLGSA-N 1 1 313.398 -1.071 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001192597904 781973588 /nfs/dbraw/zinc/97/35/88/781973588.db2.gz XMFGZOAAGJYDRG-SECBINFHSA-N 1 1 321.403 -2.600 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192597904 781973594 /nfs/dbraw/zinc/97/35/94/781973594.db2.gz XMFGZOAAGJYDRG-SECBINFHSA-N 1 1 321.403 -2.600 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC001192594142 781973648 /nfs/dbraw/zinc/97/36/48/781973648.db2.gz FANHQSQSCWVFSB-SNVBAGLBSA-N 1 1 310.395 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC001192594142 781973654 /nfs/dbraw/zinc/97/36/54/781973654.db2.gz FANHQSQSCWVFSB-SNVBAGLBSA-N 1 1 310.395 -1.115 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192590839 781973865 /nfs/dbraw/zinc/97/38/65/781973865.db2.gz MTAIWROGOHRRKP-IJLUTSLNSA-N 1 1 315.370 -1.071 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192590839 781973872 /nfs/dbraw/zinc/97/38/72/781973872.db2.gz MTAIWROGOHRRKP-IJLUTSLNSA-N 1 1 315.370 -1.071 20 0 DAADMO CCOC1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001192632425 781974735 /nfs/dbraw/zinc/97/47/35/781974735.db2.gz HJJJUXDAFYPYRQ-NWINJMCUSA-N 1 1 316.398 -1.028 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192597945 781974354 /nfs/dbraw/zinc/97/43/54/781974354.db2.gz YIZJORPTFZDKND-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO CCOC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001192632425 781974727 /nfs/dbraw/zinc/97/47/27/781974727.db2.gz HJJJUXDAFYPYRQ-NWINJMCUSA-N 1 1 316.398 -1.028 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000666913005 545790201 /nfs/dbraw/zinc/79/02/01/545790201.db2.gz AZQPJUTYAYJQOP-SNVBAGLBSA-N 1 1 304.416 -1.017 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1)C(N)=O ZINC001192687092 781977009 /nfs/dbraw/zinc/97/70/09/781977009.db2.gz AYTQXUYUNMJZCI-QWRGUYRKSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCF)C1)C(N)=O ZINC001192695686 781977333 /nfs/dbraw/zinc/97/73/33/781977333.db2.gz DLIHGASKKICTKH-MNOVXSKESA-N 1 1 302.350 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1)C(N)=O ZINC001192695686 781977340 /nfs/dbraw/zinc/97/73/40/781977340.db2.gz DLIHGASKKICTKH-MNOVXSKESA-N 1 1 302.350 -1.131 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192676970 781977420 /nfs/dbraw/zinc/97/74/20/781977420.db2.gz UJKXSLRFICNMIF-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001192676915 781978152 /nfs/dbraw/zinc/97/81/52/781978152.db2.gz SSIJQNDPEWLQOR-HBNTYKKESA-N 1 1 302.375 -1.498 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487093633 545793904 /nfs/dbraw/zinc/79/39/04/545793904.db2.gz CIPIRYZOIFOINR-AXFHLTTASA-N 1 1 318.395 -1.017 20 0 DAADMO CC(C)(C)c1cnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001192804048 781981396 /nfs/dbraw/zinc/98/13/96/781981396.db2.gz RLJSOIQZIRXPIK-SRVKXCTJSA-N 1 1 305.386 -1.093 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)S1(=O)=O ZINC001192795377 781981860 /nfs/dbraw/zinc/98/18/60/781981860.db2.gz XUPSAHYPQQJCDV-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)S1(=O)=O ZINC001192795376 781981933 /nfs/dbraw/zinc/98/19/33/781981933.db2.gz XUPSAHYPQQJCDV-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001192844968 781983618 /nfs/dbraw/zinc/98/36/18/781983618.db2.gz DETGHPLRANDZAT-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001192861970 781984719 /nfs/dbraw/zinc/98/47/19/781984719.db2.gz JCOFKULSFLZFPW-VXGBXAGGSA-N 1 1 314.386 -1.665 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836668 781984764 /nfs/dbraw/zinc/98/47/64/781984764.db2.gz BCCJRKVXQHWKLI-GXSJLCMTSA-N 1 1 324.381 -1.294 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001192924179 781987774 /nfs/dbraw/zinc/98/77/74/781987774.db2.gz BNDHWISWDYDCGB-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001192924194 781988450 /nfs/dbraw/zinc/98/84/50/781988450.db2.gz CJTSZLSGBSXWTR-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026841 781993663 /nfs/dbraw/zinc/99/36/63/781993663.db2.gz MJQSBCUIJREWNR-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001192924172 781989063 /nfs/dbraw/zinc/98/90/63/781989063.db2.gz BBVOGTAFOVZRAM-IVZWLZJFSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)NC(N)=O ZINC001192944906 781989365 /nfs/dbraw/zinc/98/93/65/781989365.db2.gz VBAVLZRZWPBIEZ-IJLUTSLNSA-N 1 1 324.385 -1.509 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001192932561 781989764 /nfs/dbraw/zinc/98/97/64/781989764.db2.gz XVZJZUDYRXSDGN-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026841 781993669 /nfs/dbraw/zinc/99/36/69/781993669.db2.gz MJQSBCUIJREWNR-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001192932581 781990748 /nfs/dbraw/zinc/99/07/48/781990748.db2.gz YKNIGVJWAJHZCG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933997 781991026 /nfs/dbraw/zinc/99/10/26/781991026.db2.gz VNWOXEXDCFDVQP-VIFPVBQESA-N 1 1 316.387 -1.500 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933997 781991038 /nfs/dbraw/zinc/99/10/38/781991038.db2.gz VNWOXEXDCFDVQP-VIFPVBQESA-N 1 1 316.387 -1.500 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192933314 781991141 /nfs/dbraw/zinc/99/11/41/781991141.db2.gz HPOCREGWXJVWNQ-IUCAKERBSA-N 1 1 323.357 -1.205 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193016284 781992372 /nfs/dbraw/zinc/99/23/72/781992372.db2.gz XZDRNPBAISVINW-OPRDCNLKSA-N 1 1 300.319 -3.158 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027729 781992744 /nfs/dbraw/zinc/99/27/44/781992744.db2.gz ROPIFXWLQDKRHB-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193046958 781993143 /nfs/dbraw/zinc/99/31/43/781993143.db2.gz APQFIBPLUGTQEJ-SNVBAGLBSA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001193046958 781993151 /nfs/dbraw/zinc/99/31/51/781993151.db2.gz APQFIBPLUGTQEJ-SNVBAGLBSA-N 1 1 322.369 -1.060 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193068945 781993838 /nfs/dbraw/zinc/99/38/38/781993838.db2.gz XHHQOHFJYDZFGT-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001193068945 781993847 /nfs/dbraw/zinc/99/38/47/781993847.db2.gz XHHQOHFJYDZFGT-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977235 781994024 /nfs/dbraw/zinc/99/40/24/781994024.db2.gz KDZJYTIBSAIDNR-MRVPVSSYSA-N 1 1 310.314 -1.329 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192977235 781994036 /nfs/dbraw/zinc/99/40/36/781994036.db2.gz KDZJYTIBSAIDNR-MRVPVSSYSA-N 1 1 310.314 -1.329 20 0 DAADMO CNc1nc(SC)ncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001193119514 781994282 /nfs/dbraw/zinc/99/42/82/781994282.db2.gz LHIXISUDJPDCAF-OYNCUSHFSA-N 1 1 324.414 -1.627 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193174445 781994561 /nfs/dbraw/zinc/99/45/61/781994561.db2.gz NQHJJVYNBVQTKV-MVWJERBFSA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193174445 781994567 /nfs/dbraw/zinc/99/45/67/781994567.db2.gz NQHJJVYNBVQTKV-MVWJERBFSA-N 1 1 311.338 -1.449 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000272370134 130024495 /nfs/dbraw/zinc/02/44/95/130024495.db2.gz UHFHGOQVKUCDHZ-UHFFFAOYSA-N 1 1 324.385 -1.796 20 0 DAADMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cn[nH]c1 ZINC000275247429 130299095 /nfs/dbraw/zinc/29/90/95/130299095.db2.gz YDAMQWLSRQVFNJ-SSDOTTSWSA-N 1 1 306.326 -1.077 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284699256 131104689 /nfs/dbraw/zinc/10/46/89/131104689.db2.gz ZTNVUIZWKFCDTC-ZDUSSCGKSA-N 1 1 310.358 -1.049 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284699256 131104690 /nfs/dbraw/zinc/10/46/90/131104690.db2.gz ZTNVUIZWKFCDTC-ZDUSSCGKSA-N 1 1 310.358 -1.049 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)[C@@H]3COC[C@H]3O)c2c(=O)n(C)c1=O ZINC000285681861 131192909 /nfs/dbraw/zinc/19/29/09/131192909.db2.gz UWARLGDANAOPDY-NXEZZACHSA-N 1 1 323.353 -1.875 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000285780117 131201333 /nfs/dbraw/zinc/20/13/33/131201333.db2.gz FOWMFHIHQHYIEZ-GHMZBOCLSA-N 1 1 312.370 -1.102 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000285877114 131207219 /nfs/dbraw/zinc/20/72/19/131207219.db2.gz INVDJNPAORFIQO-UHFFFAOYSA-N 1 1 324.385 -1.377 20 0 DAADMO CS(=O)(=O)NCC[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000340218935 131217304 /nfs/dbraw/zinc/21/73/04/131217304.db2.gz XUNRDJKLSDPCCV-UHFFFAOYSA-N 1 1 304.372 -1.448 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000340218935 131217306 /nfs/dbraw/zinc/21/73/06/131217306.db2.gz XUNRDJKLSDPCCV-UHFFFAOYSA-N 1 1 304.372 -1.448 20 0 DAADMO CNc1nc(SC)ncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001193119512 781995155 /nfs/dbraw/zinc/99/51/55/781995155.db2.gz LHIXISUDJPDCAF-KHQFGBGNSA-N 1 1 324.414 -1.627 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000340579256 132030379 /nfs/dbraw/zinc/03/03/79/132030379.db2.gz RZKOJTVIJJHUBK-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c(=O)n(C)c1=O ZINC000299226225 132094268 /nfs/dbraw/zinc/09/42/68/132094268.db2.gz NQNXKVCCIKPLLR-VIFPVBQESA-N 1 1 316.383 -1.544 20 0 DAADMO NC(=O)[C@@]1(O)CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000320250061 132138580 /nfs/dbraw/zinc/13/85/80/132138580.db2.gz PNJUEZBXKYNSQM-CQSZACIVSA-N 1 1 305.338 -1.192 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001193140705 781996551 /nfs/dbraw/zinc/99/65/51/781996551.db2.gz DRWIQKCUZJOETJ-GMTAPVOTSA-N 1 1 307.416 -1.115 20 0 DAADMO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656102968 545815458 /nfs/dbraw/zinc/81/54/58/545815458.db2.gz RMZNBPYTJMUURU-FRRDWIJNSA-N 1 1 310.398 -1.396 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001193141912 781997243 /nfs/dbraw/zinc/99/72/43/781997243.db2.gz XERDWZWYHWDWKM-HBNTYKKESA-N 1 1 307.416 -1.116 20 0 DAADMO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627393707 545828496 /nfs/dbraw/zinc/82/84/96/545828496.db2.gz IFSKUTYDMLUTQJ-LLVKDONJSA-N 1 1 302.375 -2.215 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+](CCO)CCN1CCOCC1 ZINC000361953087 545829244 /nfs/dbraw/zinc/82/92/44/545829244.db2.gz RNYMBRFOJICDOR-UHFFFAOYSA-N 1 1 314.386 -1.445 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193204175 781998830 /nfs/dbraw/zinc/99/88/30/781998830.db2.gz CJCIUSMHNMQXKU-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)COCc2nncn2C)C1 ZINC001193204175 781998836 /nfs/dbraw/zinc/99/88/36/781998836.db2.gz CJCIUSMHNMQXKU-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001193311744 781999763 /nfs/dbraw/zinc/99/97/63/781999763.db2.gz QUCAWSVFSOQSAB-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c(C)nn1 ZINC001193286915 782000166 /nfs/dbraw/zinc/00/01/66/782000166.db2.gz OBPMQSKPUVUQGO-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c(C)nn1 ZINC001193286915 782000175 /nfs/dbraw/zinc/00/01/75/782000175.db2.gz OBPMQSKPUVUQGO-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)[nH]2)[C@H]2NCN[C@@H]21 ZINC001193342489 782000539 /nfs/dbraw/zinc/00/05/39/782000539.db2.gz QYYJTTJMPFRCHR-IWSPIJDZSA-N 1 1 315.175 -1.090 20 0 DAADMO COC[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000668169990 545860827 /nfs/dbraw/zinc/86/08/27/545860827.db2.gz YXPBLGLYUGNVFZ-JTQLQIEISA-N 1 1 320.415 -1.350 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336814825 289242244 /nfs/dbraw/zinc/24/22/44/289242244.db2.gz YEEUEJPKWOCHLG-SNVBAGLBSA-N 1 1 313.445 -1.122 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336814825 289242247 /nfs/dbraw/zinc/24/22/47/289242247.db2.gz YEEUEJPKWOCHLG-SNVBAGLBSA-N 1 1 313.445 -1.122 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000672854883 545865105 /nfs/dbraw/zinc/86/51/05/545865105.db2.gz AYZPASPVZMUTDI-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373803 782002627 /nfs/dbraw/zinc/00/26/27/782002627.db2.gz OJYBFQMKFOTVQR-MRVPVSSYSA-N 1 1 309.330 -1.925 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373803 782002635 /nfs/dbraw/zinc/00/26/35/782002635.db2.gz OJYBFQMKFOTVQR-MRVPVSSYSA-N 1 1 309.330 -1.925 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001193438090 782002660 /nfs/dbraw/zinc/00/26/60/782002660.db2.gz SEZJIFJKSDYOQO-QJPTWQEYSA-N 1 1 301.387 -1.357 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001193450470 782003723 /nfs/dbraw/zinc/00/37/23/782003723.db2.gz HTUGBKDHHQQMKZ-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001193464618 782003809 /nfs/dbraw/zinc/00/38/09/782003809.db2.gz AWWBFJGPGUWVHU-GHMZBOCLSA-N 1 1 305.400 -1.551 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001193417155 782004572 /nfs/dbraw/zinc/00/45/72/782004572.db2.gz ZGJCMQAOKRKFKM-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465599 782004646 /nfs/dbraw/zinc/00/46/46/782004646.db2.gz WYLUBLSBVLJTIT-OPRDCNLKSA-N 1 1 309.388 -2.532 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465591 782004721 /nfs/dbraw/zinc/00/47/21/782004721.db2.gz WOAYFHQFSQENLY-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465598 782005149 /nfs/dbraw/zinc/00/51/49/782005149.db2.gz WYLUBLSBVLJTIT-IVZWLZJFSA-N 1 1 309.388 -2.532 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193465174 782005563 /nfs/dbraw/zinc/00/55/63/782005563.db2.gz KDKHEOPMCNIMCP-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001193499840 782006499 /nfs/dbraw/zinc/00/64/99/782006499.db2.gz LSSIIAOHUSQNAM-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)S(C)(=O)=O ZINC001193488533 782007088 /nfs/dbraw/zinc/00/70/88/782007088.db2.gz HXATXNQDBMASDY-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1)OC ZINC001193535343 782007305 /nfs/dbraw/zinc/00/73/05/782007305.db2.gz JQCKZGXPCQKMSL-HBNTYKKESA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001193536068 782007602 /nfs/dbraw/zinc/00/76/02/782007602.db2.gz RWBABDRZHMDUGN-QJPTWQEYSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001193536449 782007670 /nfs/dbraw/zinc/00/76/70/782007670.db2.gz ZPFPPNGUXYJZOC-VXGBXAGGSA-N 1 1 324.385 -1.947 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001193536150 782007799 /nfs/dbraw/zinc/00/77/99/782007799.db2.gz VOYYSIIYPBENGK-HBNTYKKESA-N 1 1 302.375 -1.762 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001193543879 782008078 /nfs/dbraw/zinc/00/80/78/782008078.db2.gz BQJJAENJVMFTAP-HBNTYKKESA-N 1 1 300.359 -1.887 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001193498357 782008159 /nfs/dbraw/zinc/00/81/59/782008159.db2.gz BJFKEASCWKVBOQ-GMTAPVOTSA-N 1 1 303.359 -2.319 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001193520519 782009813 /nfs/dbraw/zinc/00/98/13/782009813.db2.gz PXSMADRGUVXSEJ-GHMZBOCLSA-N 1 1 310.358 -2.027 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193515452 782010000 /nfs/dbraw/zinc/01/00/00/782010000.db2.gz VGUOTEYEQLHSES-CHWSQXEVSA-N 1 1 309.366 -1.218 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)CCc3cnc[nH]3)C2)n1 ZINC001193619140 782010465 /nfs/dbraw/zinc/01/04/65/782010465.db2.gz GPDIHSBISRQJGW-GHMZBOCLSA-N 1 1 320.357 -1.773 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001193577398 782011130 /nfs/dbraw/zinc/01/11/30/782011130.db2.gz QXWXARDUFOTWNF-MPKXVKKWSA-N 1 1 324.381 -1.389 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000655289493 409328753 /nfs/dbraw/zinc/32/87/53/409328753.db2.gz QIWPNCSRRVNUKR-CYBMUJFWSA-N 1 1 319.413 -1.146 20 0 DAADMO O=C(C[C@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092152 409328828 /nfs/dbraw/zinc/32/88/28/409328828.db2.gz LTFCSUIFJFDVDS-LLVKDONJSA-N 1 1 317.411 -1.141 20 0 DAADMO C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295128 409329547 /nfs/dbraw/zinc/32/95/47/409329547.db2.gz SXMVNQAMHWKSEJ-ZENOOKHLSA-N 1 1 321.377 -1.123 20 0 DAADMO [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@@H]3OCCN[C@H]3C2)C1=O ZINC000648136025 409321759 /nfs/dbraw/zinc/32/17/59/409321759.db2.gz LVORBKZJWGNHJB-AGIUHOORSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)[C@@H]2C1 ZINC000646919003 409324215 /nfs/dbraw/zinc/32/42/15/409324215.db2.gz CMZOPOQQEOUQCA-GXSJLCMTSA-N 1 1 313.383 -1.307 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000647067106 409326068 /nfs/dbraw/zinc/32/60/68/409326068.db2.gz LMHNDRMWVKABJR-GARJFASQSA-N 1 1 312.370 -1.532 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000647067106 409326073 /nfs/dbraw/zinc/32/60/73/409326073.db2.gz LMHNDRMWVKABJR-GARJFASQSA-N 1 1 312.370 -1.532 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000647067231 409326380 /nfs/dbraw/zinc/32/63/80/409326380.db2.gz TVSCTHPMXKWGKV-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000647067231 409326384 /nfs/dbraw/zinc/32/63/84/409326384.db2.gz TVSCTHPMXKWGKV-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000647024149 409326595 /nfs/dbraw/zinc/32/65/95/409326595.db2.gz ZFFYFCIBJWHSBC-SNVBAGLBSA-N 1 1 300.359 -1.673 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000647048709 409326839 /nfs/dbraw/zinc/32/68/39/409326839.db2.gz YLOXEPJFNQHHLH-LLVKDONJSA-N 1 1 314.386 -1.283 20 0 DAADMO C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000646970040 409326964 /nfs/dbraw/zinc/32/69/64/409326964.db2.gz SKSPFYZOOGOPSS-NSHDSACASA-N 1 1 312.370 -1.529 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@@H+](C)C1 ZINC000413292314 409399855 /nfs/dbraw/zinc/39/98/55/409399855.db2.gz AGJPUMMKRBWLMN-MNOVXSKESA-N 1 1 312.370 -1.037 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651329779 409364014 /nfs/dbraw/zinc/36/40/14/409364014.db2.gz GYHRTWFMXSQVBS-SNVBAGLBSA-N 1 1 318.399 -2.042 20 0 DAADMO C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)C[N@H+]1C ZINC000408067069 409364467 /nfs/dbraw/zinc/36/44/67/409364467.db2.gz AOHQRDMTIYEBLH-ZJUUUORDSA-N 1 1 323.397 -1.127 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651520979 409369591 /nfs/dbraw/zinc/36/95/91/409369591.db2.gz XXCFTOXFZGJYPY-SNVBAGLBSA-N 1 1 313.383 -1.240 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000651544571 409370771 /nfs/dbraw/zinc/37/07/71/409370771.db2.gz DKFFVNPHUBHXKV-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000651543119 409370831 /nfs/dbraw/zinc/37/08/31/409370831.db2.gz IQGUUUVQQSFCBE-MNOVXSKESA-N 1 1 322.431 -1.440 20 0 DAADMO C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000651543119 409370833 /nfs/dbraw/zinc/37/08/33/409370833.db2.gz IQGUUUVQQSFCBE-MNOVXSKESA-N 1 1 322.431 -1.440 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000408140518 409373441 /nfs/dbraw/zinc/37/34/41/409373441.db2.gz SHNOXSLFWZMHBZ-NWDGAFQWSA-N 1 1 314.386 -1.184 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000408119219 409374933 /nfs/dbraw/zinc/37/49/33/409374933.db2.gz DRQFIPJICYCVKS-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000408119219 409374937 /nfs/dbraw/zinc/37/49/37/409374937.db2.gz DRQFIPJICYCVKS-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 ZINC000651773650 409375858 /nfs/dbraw/zinc/37/58/58/409375858.db2.gz SBGYGEWPSXJNQK-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651754529 409375870 /nfs/dbraw/zinc/37/58/70/409375870.db2.gz FQIRZVSCEIMEBK-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000647885647 409400579 /nfs/dbraw/zinc/40/05/79/409400579.db2.gz AQRMNMMUJYSSFF-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000647885647 409400581 /nfs/dbraw/zinc/40/05/81/409400581.db2.gz AQRMNMMUJYSSFF-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000651773651 409377913 /nfs/dbraw/zinc/37/79/13/409377913.db2.gz SBGYGEWPSXJNQK-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(C)(C)O ZINC000651848216 409379167 /nfs/dbraw/zinc/37/91/67/409379167.db2.gz JAXVZNJGKOTPAS-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000408184859 409379261 /nfs/dbraw/zinc/37/92/61/409379261.db2.gz FGKGQCYESHAVGP-UHFFFAOYSA-N 1 1 315.399 -1.040 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000408185434 409379360 /nfs/dbraw/zinc/37/93/60/409379360.db2.gz JYVHQDPGMZKZSD-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)O1 ZINC000651927367 409381281 /nfs/dbraw/zinc/38/12/81/409381281.db2.gz MXTDOVYWERRISV-PHIMTYICSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)O1 ZINC000651927367 409381284 /nfs/dbraw/zinc/38/12/84/409381284.db2.gz MXTDOVYWERRISV-PHIMTYICSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000652229056 409382798 /nfs/dbraw/zinc/38/27/98/409382798.db2.gz ZYBNRDGITMFIQS-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC[NH+](C)C ZINC000652229056 409382804 /nfs/dbraw/zinc/38/28/04/409382804.db2.gz ZYBNRDGITMFIQS-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000652229055 409382926 /nfs/dbraw/zinc/38/29/26/409382926.db2.gz ZYBNRDGITMFIQS-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CN(CCCNC(=O)[C@H]1CCS(=O)(=O)N1)CC[NH+](C)C ZINC000652229055 409382932 /nfs/dbraw/zinc/38/29/32/409382932.db2.gz ZYBNRDGITMFIQS-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CS(=O)(=O)N[C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647877615 409400727 /nfs/dbraw/zinc/40/07/27/409400727.db2.gz WZRFFVCPYAAZHR-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000652230291 409383503 /nfs/dbraw/zinc/38/35/03/409383503.db2.gz AEAQYNITPVTNMF-TUAOUCFPSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@](O)(CNC(=O)[C@@H](O)C1CCOCC1)C[NH+]1CCOCC1 ZINC000531436118 409383568 /nfs/dbraw/zinc/38/35/68/409383568.db2.gz AFXPZVGZYNDSRA-ZFWWWQNUSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC000652390412 409384047 /nfs/dbraw/zinc/38/40/47/409384047.db2.gz OMHHJMWITUWJTJ-GHMZBOCLSA-N 1 1 305.400 -1.359 20 0 DAADMO CCN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C(=O)C1=O ZINC000644821971 409385199 /nfs/dbraw/zinc/38/51/99/409385199.db2.gz NPRQSKZRRAZRFG-RYUDHWBXSA-N 1 1 308.382 -1.160 20 0 DAADMO C[C@@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000337024993 409388119 /nfs/dbraw/zinc/38/81/19/409388119.db2.gz BXFNVLNLZKAZDZ-QWRGUYRKSA-N 1 1 322.431 -1.069 20 0 DAADMO O=C(N[C@@H](CO)CN1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000644885463 409389097 /nfs/dbraw/zinc/38/90/97/409389097.db2.gz OBOGXEYWXHWHOU-KGLIPLIRSA-N 1 1 312.414 -1.814 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cnnn1 ZINC000338181367 409390364 /nfs/dbraw/zinc/39/03/64/409390364.db2.gz UBFMEGMPABPKOB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CC(N)=O)CC1=O ZINC000644894039 409391870 /nfs/dbraw/zinc/39/18/70/409391870.db2.gz DASMTPQOFPOIRQ-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@H]1C ZINC000410706103 409393174 /nfs/dbraw/zinc/39/31/74/409393174.db2.gz XDKHWTDYUHESRL-XQHKEYJVSA-N 1 1 313.398 -1.261 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C[C@H]1C ZINC000410706103 409393180 /nfs/dbraw/zinc/39/31/80/409393180.db2.gz XDKHWTDYUHESRL-XQHKEYJVSA-N 1 1 313.398 -1.261 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000645160064 409394507 /nfs/dbraw/zinc/39/45/07/409394507.db2.gz QDQMWWZCKLKELK-LLVKDONJSA-N 1 1 311.386 -1.020 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@@H](CO)O1 ZINC000410981721 409394826 /nfs/dbraw/zinc/39/48/26/409394826.db2.gz OFBRYBKEJODCKC-ZDEQEGDKSA-N 1 1 311.382 -1.243 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000408440762 409394848 /nfs/dbraw/zinc/39/48/48/409394848.db2.gz FWLKXISCYKPBPH-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000408440762 409394853 /nfs/dbraw/zinc/39/48/53/409394853.db2.gz FWLKXISCYKPBPH-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1c2ncn(CC[N@@H+]3C[C@@H](O)[C@@H](O)C3)c2c(=O)n(C)c1=O ZINC000408441435 409396156 /nfs/dbraw/zinc/39/61/56/409396156.db2.gz IFMBVUXSHSMLFH-DTORHVGOSA-N 1 1 309.326 -2.529 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@@H](CO)O1 ZINC000410981712 409396532 /nfs/dbraw/zinc/39/65/32/409396532.db2.gz OFBRYBKEJODCKC-MROQNXINSA-N 1 1 311.382 -1.243 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000408451048 409397351 /nfs/dbraw/zinc/39/73/51/409397351.db2.gz HJZDHRKQKGRWLS-UHFFFAOYSA-N 1 1 301.372 -1.382 20 0 DAADMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093587 409397592 /nfs/dbraw/zinc/39/75/92/409397592.db2.gz RWEFEWCFVWIGDO-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093587 409397595 /nfs/dbraw/zinc/39/75/95/409397595.db2.gz RWEFEWCFVWIGDO-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)CC2(C)COC2)c(=O)n(C)c1=O ZINC000625789726 409335002 /nfs/dbraw/zinc/33/50/02/409335002.db2.gz UEUQYZKOFFVXCB-UHFFFAOYSA-N 1 1 310.354 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)CC2(C)COC2)c(=O)n(C)c1=O ZINC000625789726 409335009 /nfs/dbraw/zinc/33/50/09/409335009.db2.gz UEUQYZKOFFVXCB-UHFFFAOYSA-N 1 1 310.354 -1.183 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)NCC(F)(F)C[NH3+])c2=O ZINC000427148876 409338652 /nfs/dbraw/zinc/33/86/52/409338652.db2.gz AQYYXQDGEYBCMW-UHFFFAOYSA-N 1 1 300.269 -1.160 20 0 DAADMO C[N@H+]1CCN(CCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1(C)C ZINC000651993795 409340737 /nfs/dbraw/zinc/34/07/37/409340737.db2.gz CLUQSMWZGAHVDU-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](CCO)CCN1CCOCC1 ZINC000448100231 409342166 /nfs/dbraw/zinc/34/21/66/409342166.db2.gz ZSUAEOVQXJFKEI-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCO)CCN1CCOCC1 ZINC000448100231 409342172 /nfs/dbraw/zinc/34/21/72/409342172.db2.gz ZSUAEOVQXJFKEI-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO C[C@H](O)C[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@@H](C)CO ZINC000443348479 409345403 /nfs/dbraw/zinc/34/54/03/409345403.db2.gz RJQZSILGQTXSGV-QWRGUYRKSA-N 1 1 320.415 -1.238 20 0 DAADMO O=C(NCCN1C(=O)CCC1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650872588 409346144 /nfs/dbraw/zinc/34/61/44/409346144.db2.gz BKHDYSNUODSITC-LLVKDONJSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(NCCN1C(=O)CCC1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650872588 409346147 /nfs/dbraw/zinc/34/61/47/409346147.db2.gz BKHDYSNUODSITC-LLVKDONJSA-N 1 1 310.354 -1.404 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(=O)N=c1ccn(C)[nH]1 ZINC000647622869 409353839 /nfs/dbraw/zinc/35/38/39/409353839.db2.gz ZHPWLUJXQDXHDO-NSHDSACASA-N 1 1 309.370 -1.135 20 0 DAADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000351666392 409459674 /nfs/dbraw/zinc/45/96/74/409459674.db2.gz SDIIQDHIPXQYAC-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO CCN1C(=O)[C@H]2C[N@H+](CCC(=O)N3CCNCC3)CCN2C1=O ZINC000647891556 409402173 /nfs/dbraw/zinc/40/21/73/409402173.db2.gz PVUGWONISFOYJK-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCC(=O)N3CCNCC3)CCN2C1=O ZINC000647891556 409402177 /nfs/dbraw/zinc/40/21/77/409402177.db2.gz PVUGWONISFOYJK-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO C[C@H](C(=O)NCC[NH+]1CCSCC1)N1CCNCC1=O ZINC000638069877 409404064 /nfs/dbraw/zinc/40/40/64/409404064.db2.gz UVPZZSBKEIIJHO-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCCC1=O ZINC000653386797 409407903 /nfs/dbraw/zinc/40/79/03/409407903.db2.gz LSRSFOWJABBYFJ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000285270764 409408737 /nfs/dbraw/zinc/40/87/37/409408737.db2.gz NEYOKFTXFVKYFF-NXEZZACHSA-N 1 1 324.337 -1.662 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000340925461 409409783 /nfs/dbraw/zinc/40/97/83/409409783.db2.gz PRYUFGGXWUAIHE-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000340925461 409409789 /nfs/dbraw/zinc/40/97/89/409409789.db2.gz PRYUFGGXWUAIHE-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO CN(CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)S(C)(=O)=O ZINC000340951450 409410230 /nfs/dbraw/zinc/41/02/30/409410230.db2.gz IRYQLVSRNNNLNE-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000332317377 409462078 /nfs/dbraw/zinc/46/20/78/409462078.db2.gz LRYWMPYEHQOPID-JTQLQIEISA-N 1 1 315.395 -1.217 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341476424 409413645 /nfs/dbraw/zinc/41/36/45/409413645.db2.gz CKVUIHZLOLBIDW-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000332317377 409462083 /nfs/dbraw/zinc/46/20/83/409462083.db2.gz LRYWMPYEHQOPID-JTQLQIEISA-N 1 1 315.395 -1.217 20 0 DAADMO NC(=O)[C@@H](CO)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000341728143 409415101 /nfs/dbraw/zinc/41/51/01/409415101.db2.gz JGLWOSANQOIWFP-CQSZACIVSA-N 1 1 320.393 -1.233 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000655577449 409416749 /nfs/dbraw/zinc/41/67/49/409416749.db2.gz PFXSKFCZUBDUQH-GFCCVEGCSA-N 1 1 323.397 -1.190 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ncn(C)n2)CC1=O ZINC000425314956 409416934 /nfs/dbraw/zinc/41/69/34/409416934.db2.gz JYJMAFIRPXHOMW-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000330369391 409417509 /nfs/dbraw/zinc/41/75/09/409417509.db2.gz WXRWLRKMADUESL-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000330366450 409418408 /nfs/dbraw/zinc/41/84/08/409418408.db2.gz RBFFGCBSPFGPEB-VIFPVBQESA-N 1 1 304.372 -1.244 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000330366450 409418410 /nfs/dbraw/zinc/41/84/10/409418410.db2.gz RBFFGCBSPFGPEB-VIFPVBQESA-N 1 1 304.372 -1.244 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000330441742 409418527 /nfs/dbraw/zinc/41/85/27/409418527.db2.gz SKPFXUDECUKDQZ-GFCCVEGCSA-N 1 1 318.443 -1.097 20 0 DAADMO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000330643634 409419822 /nfs/dbraw/zinc/41/98/22/409419822.db2.gz RVBNEEGCNZQVBE-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)CN2CCOCC2)[N@H+](C)C1 ZINC000330531409 409420035 /nfs/dbraw/zinc/42/00/35/409420035.db2.gz NFRXKZMMKXMVGD-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)CN2CCOCC2)[N@@H+](C)C1 ZINC000330531409 409420039 /nfs/dbraw/zinc/42/00/39/409420039.db2.gz NFRXKZMMKXMVGD-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN1CCN(C)C(=O)C1 ZINC000330724012 409421705 /nfs/dbraw/zinc/42/17/05/409421705.db2.gz ZCLMGSDIPBGBJY-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)C[NH+]1CCOCC1 ZINC000330900399 409423852 /nfs/dbraw/zinc/42/38/52/409423852.db2.gz WGTDAGZMQJVWFX-LLVKDONJSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000330823184 409423892 /nfs/dbraw/zinc/42/38/92/409423892.db2.gz NYSOMEGEYBBMRF-LBPRGKRZSA-N 1 1 320.459 -1.123 20 0 DAADMO CN(CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000330943637 409425719 /nfs/dbraw/zinc/42/57/19/409425719.db2.gz HUCKWJICTFRZMZ-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CCC(=O)N1CC[NH2+]CC1)CCN1CCCS1(=O)=O ZINC000647995282 409427055 /nfs/dbraw/zinc/42/70/55/409427055.db2.gz LRNHJUAJPBSRCU-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO CN(C)C(=O)NCCN(C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343296146 409427737 /nfs/dbraw/zinc/42/77/37/409427737.db2.gz DENILVHZNUNFKO-UHFFFAOYSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1C ZINC000334043232 409428180 /nfs/dbraw/zinc/42/81/80/409428180.db2.gz CXPGWYHZAHJCRJ-WDEREUQCSA-N 1 1 322.431 -1.368 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425395063 409428400 /nfs/dbraw/zinc/42/84/00/409428400.db2.gz XCSLPLGSNQBEEV-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)C1 ZINC000344719785 409430209 /nfs/dbraw/zinc/43/02/09/409430209.db2.gz PELHOCOBTMPVOC-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)C1 ZINC000344719785 409430213 /nfs/dbraw/zinc/43/02/13/409430213.db2.gz PELHOCOBTMPVOC-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000344836738 409430887 /nfs/dbraw/zinc/43/08/87/409430887.db2.gz WWGQOITZNCEPRN-SNVBAGLBSA-N 1 1 310.310 -1.150 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)C1 ZINC000344719790 409432203 /nfs/dbraw/zinc/43/22/03/409432203.db2.gz PELHOCOBTMPVOC-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)C1 ZINC000344719790 409432209 /nfs/dbraw/zinc/43/22/09/409432209.db2.gz PELHOCOBTMPVOC-QWRGUYRKSA-N 1 1 313.354 -1.403 20 0 DAADMO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC000345337917 409437172 /nfs/dbraw/zinc/43/71/72/409437172.db2.gz RXEHRJIHFMTQEA-LLVKDONJSA-N 1 1 302.375 -1.415 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN1CC(=O)NC1=O ZINC000345318286 409437689 /nfs/dbraw/zinc/43/76/89/409437689.db2.gz CVXIZRNHUQLKSG-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(CCCN(C)C(=O)CN1CC(=O)NC1=O)CC[NH+](C)C ZINC000345318286 409437694 /nfs/dbraw/zinc/43/76/94/409437694.db2.gz CVXIZRNHUQLKSG-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000345640254 409437903 /nfs/dbraw/zinc/43/79/03/409437903.db2.gz YWMBEKPJRXAZPM-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COC[C@@H](O)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000346343400 409440819 /nfs/dbraw/zinc/44/08/19/409440819.db2.gz CPZLBOQMDGYZET-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO O=C(C(=O)N1CCO[C@H](CO)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332577814 409461193 /nfs/dbraw/zinc/46/11/93/409461193.db2.gz DJMBBMORPGYQIW-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CCO[C@H](CO)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332577814 409461198 /nfs/dbraw/zinc/46/11/98/409461198.db2.gz DJMBBMORPGYQIW-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@H+]1CC[C@@H](CNC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000346855775 409443412 /nfs/dbraw/zinc/44/34/12/409443412.db2.gz VPSJBEZEQJQNEK-LBPRGKRZSA-N 1 1 318.443 -1.369 20 0 DAADMO COCCNc1nc(N2CCOCC2)nc(NCCOC)[nH+]1 ZINC000346844253 409443702 /nfs/dbraw/zinc/44/37/02/409443702.db2.gz XVEOMHIANSUKQV-UHFFFAOYSA-N 1 1 312.374 -1.331 20 0 DAADMO COCCNc1nc(NCCOC)[nH+]c(N2CCOCC2)n1 ZINC000346844253 409443707 /nfs/dbraw/zinc/44/37/07/409443707.db2.gz XVEOMHIANSUKQV-UHFFFAOYSA-N 1 1 312.374 -1.331 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000346646118 409443767 /nfs/dbraw/zinc/44/37/67/409443767.db2.gz ACOTUJACIRTYEW-LBPRGKRZSA-N 1 1 310.398 -1.028 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000347793245 409445890 /nfs/dbraw/zinc/44/58/90/409445890.db2.gz MSKSOGDLXXYNCN-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000347965315 409447809 /nfs/dbraw/zinc/44/78/09/409447809.db2.gz KZBOGXKQSPTTDV-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1OCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000347965331 409447949 /nfs/dbraw/zinc/44/79/49/409447949.db2.gz LEUATCFQCDIAKQ-AVGNSLFASA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC000347801989 409448011 /nfs/dbraw/zinc/44/80/11/409448011.db2.gz CMWMOSPDJKWYBU-LLVKDONJSA-N 1 1 309.432 -1.009 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)OC ZINC000347934285 409448021 /nfs/dbraw/zinc/44/80/21/409448021.db2.gz NJCKHGIYOCCCQG-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)OC ZINC000347934285 409448024 /nfs/dbraw/zinc/44/80/24/409448024.db2.gz NJCKHGIYOCCCQG-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000347962146 409448124 /nfs/dbraw/zinc/44/81/24/409448124.db2.gz ISUMWNWHJLMIPE-UPJWGTAASA-N 1 1 312.414 -1.016 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000347994414 409449085 /nfs/dbraw/zinc/44/90/85/409449085.db2.gz NWXMGBOEUGLBBI-SNVBAGLBSA-N 1 1 302.327 -1.118 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000347994414 409449087 /nfs/dbraw/zinc/44/90/87/409449087.db2.gz NWXMGBOEUGLBBI-SNVBAGLBSA-N 1 1 302.327 -1.118 20 0 DAADMO COC(=O)C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(=O)OC ZINC000348418373 409450672 /nfs/dbraw/zinc/45/06/72/409450672.db2.gz UUPROGUNIABTOP-GHMZBOCLSA-N 1 1 315.370 -1.157 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000349660431 409454249 /nfs/dbraw/zinc/45/42/49/409454249.db2.gz CHCKZCYGJYTANR-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000350735182 409456385 /nfs/dbraw/zinc/45/63/85/409456385.db2.gz DOVHHZRSDWEVGU-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193619154 782011517 /nfs/dbraw/zinc/01/15/17/782011517.db2.gz HJYKPGREPWPMFO-GHMZBOCLSA-N 1 1 320.357 -1.773 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](CCO)CC1CC1 ZINC000352481973 409466997 /nfs/dbraw/zinc/46/69/97/409466997.db2.gz FVZPLMOJEWHQNO-VIFPVBQESA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352250194 409467129 /nfs/dbraw/zinc/46/71/29/409467129.db2.gz DMWFRTYHIVWAQJ-MRVPVSSYSA-N 1 1 306.388 -1.169 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000333942342 409467198 /nfs/dbraw/zinc/46/71/98/409467198.db2.gz PUYRAPIVCAVXKE-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214464 409467938 /nfs/dbraw/zinc/46/79/38/409467938.db2.gz ZNFRSNLZGMYDDF-RKDXNWHRSA-N 1 1 312.370 -1.060 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000352214464 409467943 /nfs/dbraw/zinc/46/79/43/409467943.db2.gz ZNFRSNLZGMYDDF-RKDXNWHRSA-N 1 1 312.370 -1.060 20 0 DAADMO CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000332623430 409462801 /nfs/dbraw/zinc/46/28/01/409462801.db2.gz IDOCCRTZUHWRSM-LBPRGKRZSA-N 1 1 308.382 -1.016 20 0 DAADMO C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000332617418 409463449 /nfs/dbraw/zinc/46/34/49/409463449.db2.gz RKMKXRVAQDJFMS-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](O)C[N@H+](CCO)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000351948302 409464372 /nfs/dbraw/zinc/46/43/72/409464372.db2.gz CYCWPABIUWUELQ-ZDUSSCGKSA-N 1 1 323.397 -1.200 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000351948302 409464377 /nfs/dbraw/zinc/46/43/77/409464377.db2.gz CYCWPABIUWUELQ-ZDUSSCGKSA-N 1 1 323.397 -1.200 20 0 DAADMO C[C@H](O)C[N@H+](CCO)CC(=O)NCCCN1CCCC1=O ZINC000351950975 409465023 /nfs/dbraw/zinc/46/50/23/409465023.db2.gz YBXQJYJESCQMDQ-LBPRGKRZSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)CC(=O)NCCCN1CCCC1=O ZINC000351950975 409465025 /nfs/dbraw/zinc/46/50/25/409465025.db2.gz YBXQJYJESCQMDQ-LBPRGKRZSA-N 1 1 301.387 -1.210 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)CN2CCN(C)C(=O)C2)n1C ZINC000333333719 409465078 /nfs/dbraw/zinc/46/50/78/409465078.db2.gz NHRNXDOQBMTSDJ-UHFFFAOYSA-N 1 1 308.386 -1.124 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888866 409472180 /nfs/dbraw/zinc/47/21/80/409472180.db2.gz YXWJNPOEROKKPR-GFCCVEGCSA-N 1 1 317.411 -1.311 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888866 409472184 /nfs/dbraw/zinc/47/21/84/409472184.db2.gz YXWJNPOEROKKPR-GFCCVEGCSA-N 1 1 317.411 -1.311 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890485 409472506 /nfs/dbraw/zinc/47/25/06/409472506.db2.gz BCEXOXOFVLCIPU-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890485 409472508 /nfs/dbraw/zinc/47/25/08/409472508.db2.gz BCEXOXOFVLCIPU-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889585 409472538 /nfs/dbraw/zinc/47/25/38/409472538.db2.gz YDQFMGJVPMUPRG-SNVBAGLBSA-N 1 1 310.354 -1.406 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889585 409472542 /nfs/dbraw/zinc/47/25/42/409472542.db2.gz YDQFMGJVPMUPRG-SNVBAGLBSA-N 1 1 310.354 -1.406 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@H]2COC[C@@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799734 409472798 /nfs/dbraw/zinc/47/27/98/409472798.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 1 1 316.398 -1.614 20 0 DAADMO CN(CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@@H]1O ZINC000352799734 409472802 /nfs/dbraw/zinc/47/28/02/409472802.db2.gz GFAROQROOKXRMR-CRWXNKLISA-N 1 1 316.398 -1.614 20 0 DAADMO COCCN1C[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652887565 409469955 /nfs/dbraw/zinc/46/99/55/409469955.db2.gz CBICIHFHTBMLID-DGCLKSJQSA-N 1 1 311.382 -1.241 20 0 DAADMO COCCN1C[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000652887565 409469959 /nfs/dbraw/zinc/46/99/59/409469959.db2.gz CBICIHFHTBMLID-DGCLKSJQSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@](O)(CNC(=O)c1ccc2nnnn2c1)C[NH+]1CCOCC1 ZINC000532319036 409470429 /nfs/dbraw/zinc/47/04/29/409470429.db2.gz VKCAQCHWUDLBGJ-CQSZACIVSA-N 1 1 320.353 -1.063 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652887105 409470776 /nfs/dbraw/zinc/47/07/76/409470776.db2.gz KDVWYLLFXKABOM-VXGBXAGGSA-N 1 1 317.411 -1.312 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652887105 409470782 /nfs/dbraw/zinc/47/07/82/409470782.db2.gz KDVWYLLFXKABOM-VXGBXAGGSA-N 1 1 317.411 -1.312 20 0 DAADMO CCN1CCN(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C(=O)C1=O ZINC000652887707 409471082 /nfs/dbraw/zinc/47/10/82/409471082.db2.gz IWJNFQXNDKZOKD-GFCCVEGCSA-N 1 1 324.381 -2.046 20 0 DAADMO CCN1CCN(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C(=O)C1=O ZINC000652887707 409471085 /nfs/dbraw/zinc/47/10/85/409471085.db2.gz IWJNFQXNDKZOKD-GFCCVEGCSA-N 1 1 324.381 -2.046 20 0 DAADMO C[C@H]1C[NH2+]CCN1S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000354117027 409478058 /nfs/dbraw/zinc/47/80/58/409478058.db2.gz PIHKMJPPTJVMID-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO COC[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000355088491 409480263 /nfs/dbraw/zinc/48/02/63/409480263.db2.gz ONAYLWZUJXHKQK-VXGBXAGGSA-N 1 1 300.403 -1.253 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054163 409480666 /nfs/dbraw/zinc/48/06/66/409480666.db2.gz JIMXHGNKQOLBLI-JGVFFNPUSA-N 1 1 310.314 -1.105 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054163 409480670 /nfs/dbraw/zinc/48/06/70/409480670.db2.gz JIMXHGNKQOLBLI-JGVFFNPUSA-N 1 1 310.314 -1.105 20 0 DAADMO CN(C)C(=O)CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355444368 409483111 /nfs/dbraw/zinc/48/31/11/409483111.db2.gz DYKUULRNSFUSOU-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000355302976 409483324 /nfs/dbraw/zinc/48/33/24/409483324.db2.gz WJFUPJGWFHHDRD-OLZOCXBDSA-N 1 1 313.446 -1.195 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@H]2C1 ZINC000355368476 409484382 /nfs/dbraw/zinc/48/43/82/409484382.db2.gz OWFQPYWFEROPMH-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000356475217 409485960 /nfs/dbraw/zinc/48/59/60/409485960.db2.gz QKDOWHMPBDLBPQ-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO NC(=O)C(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(N)=O ZINC000355512047 409482259 /nfs/dbraw/zinc/48/22/59/409482259.db2.gz MJBSRLNUPVATML-NSHDSACASA-N 1 1 320.349 -1.657 20 0 DAADMO NC(=O)C(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(N)=O ZINC000355512047 409482266 /nfs/dbraw/zinc/48/22/66/409482266.db2.gz MJBSRLNUPVATML-NSHDSACASA-N 1 1 320.349 -1.657 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000358555912 409495601 /nfs/dbraw/zinc/49/56/01/409495601.db2.gz FDJXGKUAOINDAN-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000358457727 409495847 /nfs/dbraw/zinc/49/58/47/409495847.db2.gz SEZNNLONCRISDN-LBPRGKRZSA-N 1 1 313.402 -1.562 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000358574910 409496442 /nfs/dbraw/zinc/49/64/42/409496442.db2.gz VANORJSUWMNMQG-FVINQWEUSA-N 1 1 307.416 -1.436 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000358574910 409496444 /nfs/dbraw/zinc/49/64/44/409496444.db2.gz VANORJSUWMNMQG-FVINQWEUSA-N 1 1 307.416 -1.436 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000358557336 409496497 /nfs/dbraw/zinc/49/64/97/409496497.db2.gz IEDCOSUREAICRL-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000358559444 409496664 /nfs/dbraw/zinc/49/66/64/409496664.db2.gz JQDQSERVJMFCAA-CQSZACIVSA-N 1 1 314.386 -1.595 20 0 DAADMO CC(C)(CNC(=O)C[NH+](CCO)CCO)N1CCOCC1 ZINC000356885193 409490672 /nfs/dbraw/zinc/49/06/72/409490672.db2.gz WZFAFNGVTZUJBB-UHFFFAOYSA-N 1 1 303.403 -1.500 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000367268531 409491868 /nfs/dbraw/zinc/49/18/68/409491868.db2.gz AANRKDQVSVJEIP-UHFFFAOYSA-N 1 1 300.359 -1.349 20 0 DAADMO Cn1nncc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000357492849 409491982 /nfs/dbraw/zinc/49/19/82/409491982.db2.gz KQTKXAIHTUQMJU-SECBINFHSA-N 1 1 316.387 -1.567 20 0 DAADMO Cn1nncc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000357492849 409491988 /nfs/dbraw/zinc/49/19/88/409491988.db2.gz KQTKXAIHTUQMJU-SECBINFHSA-N 1 1 316.387 -1.567 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885932 409493729 /nfs/dbraw/zinc/49/37/29/409493729.db2.gz GUXBEWNEBSHSQK-SECBINFHSA-N 1 1 306.388 -1.167 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357885932 409493734 /nfs/dbraw/zinc/49/37/34/409493734.db2.gz GUXBEWNEBSHSQK-SECBINFHSA-N 1 1 306.388 -1.167 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCS(=O)(=O)N(C)C ZINC000357750449 409494542 /nfs/dbraw/zinc/49/45/42/409494542.db2.gz UHRVKYRSNHNKSJ-UHFFFAOYSA-N 1 1 310.420 -1.245 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000357501377 409494601 /nfs/dbraw/zinc/49/46/01/409494601.db2.gz PMAKHMUFILNMBU-QMTHXVAHSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000357501377 409494606 /nfs/dbraw/zinc/49/46/06/409494606.db2.gz PMAKHMUFILNMBU-QMTHXVAHSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000357501378 409494709 /nfs/dbraw/zinc/49/47/09/409494709.db2.gz PMAKHMUFILNMBU-YGRLFVJLSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000357501378 409494714 /nfs/dbraw/zinc/49/47/14/409494714.db2.gz PMAKHMUFILNMBU-YGRLFVJLSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000425292567 409558036 /nfs/dbraw/zinc/55/80/36/409558036.db2.gz ZOICUMBHFJKGLC-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000425292567 409558046 /nfs/dbraw/zinc/55/80/46/409558046.db2.gz ZOICUMBHFJKGLC-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCCS(=O)(=O)NCCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426472466 409558095 /nfs/dbraw/zinc/55/80/95/409558095.db2.gz UYZJTVADSJGBDD-ZDUSSCGKSA-N 1 1 323.459 -1.059 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)NCC(=O)OC ZINC000426182493 409558699 /nfs/dbraw/zinc/55/86/99/409558699.db2.gz FUGXCCNHEDVCAV-JTQLQIEISA-N 1 1 321.399 -1.321 20 0 DAADMO CC[C@](C)([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(N)=O ZINC000428768596 409561148 /nfs/dbraw/zinc/56/11/48/409561148.db2.gz NPDFCGZVUUYQQM-ZDUSSCGKSA-N 1 1 311.342 -1.908 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428776183 409564231 /nfs/dbraw/zinc/56/42/31/409564231.db2.gz CXKWCFDKKVPZRZ-VIFPVBQESA-N 1 1 306.388 -1.202 20 0 DAADMO CS(=O)(=O)N1CC(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000428885882 409565066 /nfs/dbraw/zinc/56/50/66/409565066.db2.gz HDCAQKWLLBZZLH-GFCCVEGCSA-N 1 1 316.427 -1.616 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)[C@H](CO)C1 ZINC000358568956 409497679 /nfs/dbraw/zinc/49/76/79/409497679.db2.gz HMRPIJLUTSZSQE-RYUDHWBXSA-N 1 1 301.387 -1.232 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000358405942 409497852 /nfs/dbraw/zinc/49/78/52/409497852.db2.gz FGEPEYDGIHOPIY-NEPJUHHUSA-N 1 1 320.411 -1.021 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000359333860 409499890 /nfs/dbraw/zinc/49/98/90/409499890.db2.gz CCPULJVUQNPCLC-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CCS(=O)(=O)NCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643328 409567497 /nfs/dbraw/zinc/56/74/97/409567497.db2.gz XFNFNPGJJBBQHJ-LLVKDONJSA-N 1 1 306.432 -1.287 20 0 DAADMO CN(C)C(=O)CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000358791086 409500914 /nfs/dbraw/zinc/50/09/14/409500914.db2.gz MIDIMJLCPALWQM-CYBMUJFWSA-N 1 1 302.375 -1.543 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N=c2nc[nH]n2C)CC1 ZINC000358934570 409501085 /nfs/dbraw/zinc/50/10/85/409501085.db2.gz SYSSBRIWZUGBQL-UHFFFAOYSA-N 1 1 309.374 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C1CC1 ZINC000359435141 409502686 /nfs/dbraw/zinc/50/26/86/409502686.db2.gz WCLDUGXBMCWGRE-VIFPVBQESA-N 1 1 320.415 -1.620 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000359444356 409503054 /nfs/dbraw/zinc/50/30/54/409503054.db2.gz TYBOBRIFYKTGBY-UHFFFAOYSA-N 1 1 306.432 -1.239 20 0 DAADMO CS(=O)(=O)NCC[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000361378590 409509730 /nfs/dbraw/zinc/50/97/30/409509730.db2.gz RZEYEQBYLXFBSJ-ZDUSSCGKSA-N 1 1 321.443 -1.307 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000361378590 409509735 /nfs/dbraw/zinc/50/97/35/409509735.db2.gz RZEYEQBYLXFBSJ-ZDUSSCGKSA-N 1 1 321.443 -1.307 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)NC(=O)NC1CC1 ZINC000361946569 409509864 /nfs/dbraw/zinc/50/98/64/409509864.db2.gz OZSBXIJZQFRDMO-UHFFFAOYSA-N 1 1 314.386 -1.399 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NC(=O)NC1CC1 ZINC000361946569 409509866 /nfs/dbraw/zinc/50/98/66/409509866.db2.gz OZSBXIJZQFRDMO-UHFFFAOYSA-N 1 1 314.386 -1.399 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000361626925 409510299 /nfs/dbraw/zinc/51/02/99/409510299.db2.gz YTACOGLZSTXYFZ-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362056213 409510923 /nfs/dbraw/zinc/51/09/23/409510923.db2.gz OPHLQGQKKHRJDG-KXUCPTDWSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362056213 409510928 /nfs/dbraw/zinc/51/09/28/409510928.db2.gz OPHLQGQKKHRJDG-KXUCPTDWSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@]1(C(N)=O)CCN(CC(O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556031 409511086 /nfs/dbraw/zinc/51/10/86/409511086.db2.gz DTAZAAUUSUNNGZ-GJZGRUSLSA-N 1 1 312.414 -1.258 20 0 DAADMO C[C@]1(C(N)=O)CCN(CC(O)C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556031 409511090 /nfs/dbraw/zinc/51/10/90/409511090.db2.gz DTAZAAUUSUNNGZ-GJZGRUSLSA-N 1 1 312.414 -1.258 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000371536137 409512567 /nfs/dbraw/zinc/51/25/67/409512567.db2.gz TUQSDJGWAHUDOF-ZJUUUORDSA-N 1 1 308.338 -1.040 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000371661151 409512733 /nfs/dbraw/zinc/51/27/33/409512733.db2.gz YAVIFNVXSXEYHW-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000371661151 409512736 /nfs/dbraw/zinc/51/27/36/409512736.db2.gz YAVIFNVXSXEYHW-VHSXEESVSA-N 1 1 302.327 -1.072 20 0 DAADMO O=C(NCCN1CCCS1(=O)=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372840482 409515642 /nfs/dbraw/zinc/51/56/42/409515642.db2.gz KNYCVCZFFKZQIE-GFCCVEGCSA-N 1 1 316.427 -1.472 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000373725241 409521539 /nfs/dbraw/zinc/52/15/39/409521539.db2.gz DHCLPDCQMMJNIO-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C1=NN(CCO)C(=O)CC1 ZINC000378311306 409523878 /nfs/dbraw/zinc/52/38/78/409523878.db2.gz KGYUKEJHIUUXRK-UHFFFAOYSA-N 1 1 312.370 -1.204 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)S(N)(=O)=O ZINC000645621300 409524330 /nfs/dbraw/zinc/52/43/30/409524330.db2.gz JVMVVBLXAZKROM-OPRDCNLKSA-N 1 1 318.399 -2.058 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000378610673 409525653 /nfs/dbraw/zinc/52/56/53/409525653.db2.gz MZOLEVSCCMZJCI-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCN1CCOC ZINC000659700933 409526677 /nfs/dbraw/zinc/52/66/77/409526677.db2.gz XBGABOBWUMABPD-RYUDHWBXSA-N 1 1 300.403 -1.063 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN1CCOC ZINC000659700925 409527197 /nfs/dbraw/zinc/52/71/97/409527197.db2.gz XBGABOBWUMABPD-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378054256 409527356 /nfs/dbraw/zinc/52/73/56/409527356.db2.gz GHXURPZCHDGLAJ-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000653019189 409528471 /nfs/dbraw/zinc/52/84/71/409528471.db2.gz JRWANBFZKZNPST-SNVBAGLBSA-N 1 1 308.404 -1.733 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000653024523 409530226 /nfs/dbraw/zinc/53/02/26/409530226.db2.gz BQXVVTQKYHTYKR-UHFFFAOYSA-N 1 1 308.404 -2.045 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2nc(N)nc(N(C)C)n2)CC1 ZINC000653019295 409530893 /nfs/dbraw/zinc/53/08/93/409530893.db2.gz VUDXJADKRYIYIX-SNVBAGLBSA-N 1 1 323.401 -1.121 20 0 DAADMO CCOCCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420152685 409538837 /nfs/dbraw/zinc/53/88/37/409538837.db2.gz PJKFHUZKFUOIRX-UHFFFAOYSA-N 1 1 322.356 -1.123 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193620264 782012253 /nfs/dbraw/zinc/01/22/53/782012253.db2.gz WMAPJUPSSQCPCE-VXGBXAGGSA-N 1 1 319.369 -1.168 20 0 DAADMO CN1CCN(C(=O)C2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC000514870964 409550992 /nfs/dbraw/zinc/55/09/92/409550992.db2.gz OPJSBIPAXQXGIJ-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO COCC[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000514937152 409552198 /nfs/dbraw/zinc/55/21/98/409552198.db2.gz JNBJROGTUOESAU-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000514989342 409552294 /nfs/dbraw/zinc/55/22/94/409552294.db2.gz CYEDEPOLPFDATL-NEPJUHHUSA-N 1 1 309.432 -1.451 20 0 DAADMO COc1ccnc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])n1 ZINC000424550275 409553264 /nfs/dbraw/zinc/55/32/64/409553264.db2.gz SRWCYSBAVLVCNQ-UHFFFAOYSA-N 1 1 303.269 -1.188 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](CCO)CCN2CCOCC2)C1=O ZINC000659983512 409619194 /nfs/dbraw/zinc/61/91/94/409619194.db2.gz OJXONSDCJWSHOL-UHFFFAOYSA-N 1 1 314.386 -1.493 20 0 DAADMO COC(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000495991422 409619342 /nfs/dbraw/zinc/61/93/42/409619342.db2.gz SQEVHJBRFFDBRP-UHFFFAOYSA-N 1 1 308.285 -1.393 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000499696702 409620305 /nfs/dbraw/zinc/62/03/05/409620305.db2.gz PVWBJTFQJPTLPT-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000646449177 409623319 /nfs/dbraw/zinc/62/33/19/409623319.db2.gz JQDARXXDQUODAM-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO O=C([C@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000646638556 409624167 /nfs/dbraw/zinc/62/41/67/409624167.db2.gz OEPRKPKBWQOPAT-STQMWFEESA-N 1 1 310.398 -1.355 20 0 DAADMO O=C([C@@H]1CCCN(C(=O)[C@@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000646638555 409624385 /nfs/dbraw/zinc/62/43/85/409624385.db2.gz OEPRKPKBWQOPAT-OLZOCXBDSA-N 1 1 310.398 -1.355 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)N(C)C ZINC000646669423 409624915 /nfs/dbraw/zinc/62/49/15/409624915.db2.gz NXIQZPKXKDJWOW-UHFFFAOYSA-N 1 1 310.420 -1.533 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2nncn2C)CC1 ZINC000653822256 409627925 /nfs/dbraw/zinc/62/79/25/409627925.db2.gz HQDSSSLWUMFXKJ-ZDUSSCGKSA-N 1 1 312.418 -1.124 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2nncn2C)CC1 ZINC000653822255 409630834 /nfs/dbraw/zinc/63/08/34/409630834.db2.gz HQDSSSLWUMFXKJ-CYBMUJFWSA-N 1 1 312.418 -1.124 20 0 DAADMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653825650 409632542 /nfs/dbraw/zinc/63/25/42/409632542.db2.gz DSGGTASRUBVZKH-ZOBORPQBSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827403 409634108 /nfs/dbraw/zinc/63/41/08/409634108.db2.gz ZFPFZRKHKQXBQO-KWCYVHTRSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000646840302 409634322 /nfs/dbraw/zinc/63/43/22/409634322.db2.gz NEFZCTXPZDVLRU-NSHDSACASA-N 1 1 322.431 -1.533 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000653826437 409634342 /nfs/dbraw/zinc/63/43/42/409634342.db2.gz CDQWAPLRYAEAAT-SOUVJXGZSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)NCCCN1CCCC1=O ZINC000653825139 409634506 /nfs/dbraw/zinc/63/45/06/409634506.db2.gz SSBZSLFMXADMGT-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C[NH+]1CCOCC1 ZINC000646837735 409634648 /nfs/dbraw/zinc/63/46/48/409634648.db2.gz ANFRDTQQGQALJT-IGHBBLSQSA-N 1 1 314.382 -1.516 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC[N@H+]1C ZINC000648764394 409637458 /nfs/dbraw/zinc/63/74/58/409637458.db2.gz LKCXJROKEBTHTK-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000524569737 409637566 /nfs/dbraw/zinc/63/75/66/409637566.db2.gz WXTCEOTYSWXGQG-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)CC1=O ZINC000653901263 409637640 /nfs/dbraw/zinc/63/76/40/409637640.db2.gz QZUISUKJBPCJFP-NSHDSACASA-N 1 1 317.411 -1.204 20 0 DAADMO COCC[NH+]1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000524317754 409638088 /nfs/dbraw/zinc/63/80/88/409638088.db2.gz DFICOFTUTRWSAR-UHFFFAOYSA-N 1 1 313.358 -1.488 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432815382 409570905 /nfs/dbraw/zinc/57/09/05/409570905.db2.gz GFSSKUCPVDLNST-QMMMGPOBSA-N 1 1 321.321 -1.253 20 0 DAADMO COC(=O)Cc1nnn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000432734320 409571289 /nfs/dbraw/zinc/57/12/89/409571289.db2.gz RDGZWGHQTPBQJW-AXFHLTTASA-N 1 1 313.358 -1.141 20 0 DAADMO COC(=O)Cc1nnn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000432734320 409571293 /nfs/dbraw/zinc/57/12/93/409571293.db2.gz RDGZWGHQTPBQJW-AXFHLTTASA-N 1 1 313.358 -1.141 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434976135 409573961 /nfs/dbraw/zinc/57/39/61/409573961.db2.gz AEZHESNAABVXMB-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434976135 409573970 /nfs/dbraw/zinc/57/39/70/409573970.db2.gz AEZHESNAABVXMB-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO C[N@@H+](CCCC(=O)NC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000434975508 409574369 /nfs/dbraw/zinc/57/43/69/409574369.db2.gz CSLHAMWKHDKBNR-LLVKDONJSA-N 1 1 302.375 -1.414 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434717963 409574884 /nfs/dbraw/zinc/57/48/84/409574884.db2.gz KUNKKIXLTIBNSG-KCJUWKMLSA-N 1 1 312.370 -1.079 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cncn3)nc2)[C@H]2NCN[C@@H]21 ZINC001193700203 782012540 /nfs/dbraw/zinc/01/25/40/782012540.db2.gz KMEFZVJRMQKRNX-IJLUTSLNSA-N 1 1 315.341 -2.205 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1=O ZINC000645769815 409577498 /nfs/dbraw/zinc/57/74/98/409577498.db2.gz GHDNNCBDFHXBOB-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)NCCS(=O)(=O)NC)CC1 ZINC000439822274 409579357 /nfs/dbraw/zinc/57/93/57/409579357.db2.gz JBNAZUHPUUUNRB-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193601821 782012580 /nfs/dbraw/zinc/01/25/80/782012580.db2.gz MGHGDQYNCXNVRM-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000645985055 409600534 /nfs/dbraw/zinc/60/05/34/409600534.db2.gz FPNNFRDNRDHMFO-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000645985055 409600540 /nfs/dbraw/zinc/60/05/40/409600540.db2.gz FPNNFRDNRDHMFO-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000646119709 409601522 /nfs/dbraw/zinc/60/15/22/409601522.db2.gz RGUPVNQADNVFCM-LBPRGKRZSA-N 1 1 321.381 -1.947 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000646120311 409601847 /nfs/dbraw/zinc/60/18/47/409601847.db2.gz YHSBYULIHOVVGF-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO COC(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000492989661 409607756 /nfs/dbraw/zinc/60/77/56/409607756.db2.gz HLEVBJCXOYVYDM-SNVBAGLBSA-N 1 1 321.399 -1.080 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000646355799 409608801 /nfs/dbraw/zinc/60/88/01/409608801.db2.gz VFZCRMKVGRVQBA-UHFFFAOYSA-N 1 1 305.400 -1.332 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000659736161 409696527 /nfs/dbraw/zinc/69/65/27/409696527.db2.gz ZOUNOGYYKFYMEG-NWDGAFQWSA-N 1 1 310.398 -1.349 20 0 DAADMO CN1CC(=O)N(CC[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000660609273 409701711 /nfs/dbraw/zinc/70/17/11/409701711.db2.gz QIIVVJZBCHXVPS-SNVBAGLBSA-N 1 1 318.399 -1.154 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000660609273 409701722 /nfs/dbraw/zinc/70/17/22/409701722.db2.gz QIIVVJZBCHXVPS-SNVBAGLBSA-N 1 1 318.399 -1.154 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001193728062 782012893 /nfs/dbraw/zinc/01/28/93/782012893.db2.gz NNOFIHSNCJAKIT-CYZMBNFOSA-N 1 1 313.354 -1.306 20 0 DAADMO C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000661686466 409704731 /nfs/dbraw/zinc/70/47/31/409704731.db2.gz MRDRHSQXEJBQFY-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@]1(C)CO ZINC000662150979 409708586 /nfs/dbraw/zinc/70/85/86/409708586.db2.gz UBRYEAGRMVHLTC-PSLIRLAXSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@]1(C)CO ZINC000662150979 409708593 /nfs/dbraw/zinc/70/85/93/409708593.db2.gz UBRYEAGRMVHLTC-PSLIRLAXSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@]1(C)CO ZINC000662150982 409708833 /nfs/dbraw/zinc/70/88/33/409708833.db2.gz UBRYEAGRMVHLTC-VFZGTOFNSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@]1(C)CO ZINC000662150982 409708838 /nfs/dbraw/zinc/70/88/38/409708838.db2.gz UBRYEAGRMVHLTC-VFZGTOFNSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529331702 409642430 /nfs/dbraw/zinc/64/24/30/409642430.db2.gz BRMUMZBEIWHBST-LBPRGKRZSA-N 1 1 312.418 -1.066 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C)C1 ZINC000648866170 409643360 /nfs/dbraw/zinc/64/33/60/409643360.db2.gz GQDUNJDEMXVPKZ-WOPDTQHZSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H](C)C1 ZINC000648866170 409643364 /nfs/dbraw/zinc/64/33/64/409643364.db2.gz GQDUNJDEMXVPKZ-WOPDTQHZSA-N 1 1 319.427 -1.066 20 0 DAADMO CNC(=O)NC[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528623914 409644651 /nfs/dbraw/zinc/64/46/51/409644651.db2.gz ILINMLXNGFRBFB-LBPRGKRZSA-N 1 1 313.402 -1.610 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCO)S1(=O)=O ZINC000648918515 409644981 /nfs/dbraw/zinc/64/49/81/409644981.db2.gz ZHQUZKZEJPOTIW-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2COCCN2)C1 ZINC000529387731 409648495 /nfs/dbraw/zinc/64/84/95/409648495.db2.gz LWLGOTHEHCRZGG-VXGBXAGGSA-N 1 1 313.402 -1.529 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279441 409655586 /nfs/dbraw/zinc/65/55/86/409655586.db2.gz PVCCXKGKEDBSHV-CYBMUJFWSA-N 1 1 310.398 -1.259 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000576481011 409657545 /nfs/dbraw/zinc/65/75/45/409657545.db2.gz WTWZDHNSGJZFIP-ZYHUDNBSSA-N 1 1 323.397 -1.192 20 0 DAADMO Cc1nn(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(=O)n1C ZINC000655007904 409669215 /nfs/dbraw/zinc/66/92/15/409669215.db2.gz PXGKIMNHPZKQRU-WDEREUQCSA-N 1 1 311.386 -1.196 20 0 DAADMO COc1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ncn1 ZINC000654907776 409670862 /nfs/dbraw/zinc/67/08/62/409670862.db2.gz WSNKPNJYADGNLI-VHSXEESVSA-N 1 1 321.337 -1.299 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@]1(C)CO ZINC000662150980 409711482 /nfs/dbraw/zinc/71/14/82/409711482.db2.gz UBRYEAGRMVHLTC-RFAUZJTJSA-N 1 1 324.381 -1.201 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@]1(C)CO ZINC000662150980 409711488 /nfs/dbraw/zinc/71/14/88/409711488.db2.gz UBRYEAGRMVHLTC-RFAUZJTJSA-N 1 1 324.381 -1.201 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659707281 409689709 /nfs/dbraw/zinc/68/97/09/409689709.db2.gz UFPUTBYTLGTGPK-IJLUTSLNSA-N 1 1 316.377 -1.279 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659695704 409690494 /nfs/dbraw/zinc/69/04/94/409690494.db2.gz DBJPZVZJUGLBPB-GHMZBOCLSA-N 1 1 304.366 -1.422 20 0 DAADMO CC[NH+]1CCN(C(=O)CNc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000663536471 409725787 /nfs/dbraw/zinc/72/57/87/409725787.db2.gz PFAIRUBUSCSAHW-UHFFFAOYSA-N 1 1 309.370 -1.340 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@@H]1O ZINC000664785675 409731824 /nfs/dbraw/zinc/73/18/24/409731824.db2.gz CFHITWDKSMSZGN-UWVGGRQHSA-N 1 1 305.400 -1.120 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000665010160 409736529 /nfs/dbraw/zinc/73/65/29/409736529.db2.gz RUYKHZWTOJFWLL-WDEREUQCSA-N 1 1 319.431 -1.272 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000665016630 409736574 /nfs/dbraw/zinc/73/65/74/409736574.db2.gz AQMWUJBCDKGLBU-UHFFFAOYSA-N 1 1 307.420 -1.271 20 0 DAADMO Cn1ncc2c1nc(NC[C@@](C)(O)C[NH+]1CCOCC1)[nH]c2=O ZINC000433383295 409744351 /nfs/dbraw/zinc/74/43/51/409744351.db2.gz HDUBNYMQLKRDFM-CQSZACIVSA-N 1 1 322.369 -0.436 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCNc1cnccn1 ZINC000348820992 409745853 /nfs/dbraw/zinc/74/58/53/409745853.db2.gz VFOHQQUUFSKYGJ-GFCCVEGCSA-N 1 1 307.402 -0.567 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000665489305 409768825 /nfs/dbraw/zinc/76/88/25/409768825.db2.gz NKSPIZGTLDCFOP-LBPRGKRZSA-N 1 1 321.429 -1.036 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000592551756 409768926 /nfs/dbraw/zinc/76/89/26/409768926.db2.gz LPBVQXSFFKOSCN-VIFPVBQESA-N 1 1 310.310 -0.715 20 0 DAADMO COCCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000427865562 409776630 /nfs/dbraw/zinc/77/66/30/409776630.db2.gz PBJFJRLLBLQTEZ-TXEJJXNPSA-N 1 1 321.381 -0.512 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cncc(OC)n1 ZINC000571289534 409777058 /nfs/dbraw/zinc/77/70/58/409777058.db2.gz BVUYERLUFGAUNR-UHFFFAOYSA-N 1 1 311.342 -1.146 20 0 DAADMO O=C1CN(CCCNc2cc[nH+]c(N3CCOCC3)n2)CCN1 ZINC000362632872 409779225 /nfs/dbraw/zinc/77/92/25/409779225.db2.gz GGLKVNGNUUHTFG-UHFFFAOYSA-N 1 1 320.397 -0.453 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3CSC[NH2+]3)C[C@H]21 ZINC000662890526 409717608 /nfs/dbraw/zinc/71/76/08/409717608.db2.gz UOSXJKDXCDPLCE-QEYWKRMJSA-N 1 1 306.409 -1.081 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)NC1=O ZINC000662766340 409717847 /nfs/dbraw/zinc/71/78/47/409717847.db2.gz JJZDGPPHVVFMBL-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)NC1=O ZINC000662766338 409719693 /nfs/dbraw/zinc/71/96/93/409719693.db2.gz JJZDGPPHVVFMBL-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC1 ZINC000340100347 409790871 /nfs/dbraw/zinc/79/08/71/409790871.db2.gz CWCZEWINFSLRPG-LLVKDONJSA-N 1 1 324.385 -1.023 20 0 DAADMO Cn1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000371402160 409798398 /nfs/dbraw/zinc/79/83/98/409798398.db2.gz VEVKEGBNCBLMSQ-NEPJUHHUSA-N 1 1 321.381 -0.584 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)n1 ZINC000614505464 409800356 /nfs/dbraw/zinc/80/03/56/409800356.db2.gz PGYFJCBWLFNBGU-JTQLQIEISA-N 1 1 320.401 -1.361 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000516987251 409803353 /nfs/dbraw/zinc/80/33/53/409803353.db2.gz LWSXJARBOBMGMU-SECBINFHSA-N 1 1 308.390 -1.505 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000516987251 409803360 /nfs/dbraw/zinc/80/33/60/409803360.db2.gz LWSXJARBOBMGMU-SECBINFHSA-N 1 1 308.390 -1.505 20 0 DAADMO CNC(=O)C[NH+]1CCC(N=c2nc3[nH][nH]cc-3c(N)n2)CC1 ZINC000354522737 409805411 /nfs/dbraw/zinc/80/54/11/409805411.db2.gz OKOZFZNYLMIRCX-UHFFFAOYSA-N 1 1 304.358 -1.069 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@H](C)[N@H+]1CCO ZINC000566402672 409806469 /nfs/dbraw/zinc/80/64/69/409806469.db2.gz GHCOCNNDSRTOOA-AOOOYVTPSA-N 1 1 323.401 -0.953 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc(N)nc(N(C)C)n2)C[C@H](C)[N@@H+]1CCO ZINC000566402672 409806485 /nfs/dbraw/zinc/80/64/85/409806485.db2.gz GHCOCNNDSRTOOA-AOOOYVTPSA-N 1 1 323.401 -0.953 20 0 DAADMO Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000581677714 409811308 /nfs/dbraw/zinc/81/13/08/409811308.db2.gz LALHJFWNKQEMKJ-ZJUUUORDSA-N 1 1 314.353 -1.007 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1C(F)(F)F ZINC001193684176 782013406 /nfs/dbraw/zinc/01/34/06/782013406.db2.gz ZOXHBNZUMNHXKI-YEPSODPASA-N 1 1 319.291 -1.428 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cncn3)nc2)[C@H]2NCN[C@H]21 ZINC001193700204 782013428 /nfs/dbraw/zinc/01/34/28/782013428.db2.gz KMEFZVJRMQKRNX-QJPTWQEYSA-N 1 1 315.341 -2.205 20 0 DAADMO Cc1nc[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193694082 782013956 /nfs/dbraw/zinc/01/39/56/782013956.db2.gz BUFSTQQGNHRKFA-SNVBAGLBSA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1nc[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193694082 782013962 /nfs/dbraw/zinc/01/39/62/782013962.db2.gz BUFSTQQGNHRKFA-SNVBAGLBSA-N 1 1 322.369 -1.012 20 0 DAADMO CC(=O)Nc1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001193727121 782013982 /nfs/dbraw/zinc/01/39/82/782013982.db2.gz UINHQBPXBFWAMW-SRVKXCTJSA-N 1 1 305.342 -1.827 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)o1 ZINC001193729196 782013712 /nfs/dbraw/zinc/01/37/12/782013712.db2.gz VJKIRGSUJLNGHT-CHWSQXEVSA-N 1 1 313.354 -1.304 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)o1 ZINC001193729196 782013718 /nfs/dbraw/zinc/01/37/18/782013718.db2.gz VJKIRGSUJLNGHT-CHWSQXEVSA-N 1 1 313.354 -1.304 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193778155 782016236 /nfs/dbraw/zinc/01/62/36/782016236.db2.gz SLHVKWOYUXBLHS-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO Cc1csc(=O)n1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193804741 782015282 /nfs/dbraw/zinc/01/52/82/782015282.db2.gz FFCGOJGVFUGRGM-GHMZBOCLSA-N 1 1 315.395 -1.238 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193778155 782016241 /nfs/dbraw/zinc/01/62/41/782016241.db2.gz SLHVKWOYUXBLHS-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193766829 782016019 /nfs/dbraw/zinc/01/60/19/782016019.db2.gz YUQRVYWFUNFSSL-YNEHKIRRSA-N 1 1 315.414 -1.361 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890417 782017203 /nfs/dbraw/zinc/01/72/03/782017203.db2.gz XCWDTEBYHHNWMO-VHSXEESVSA-N 1 1 323.357 -1.606 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829135 782017475 /nfs/dbraw/zinc/01/74/75/782017475.db2.gz WUVYOCYZMYJLOO-FRRDWIJNSA-N 1 1 312.414 -1.104 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193883122 782017877 /nfs/dbraw/zinc/01/78/77/782017877.db2.gz GZNMLIRRISQDRM-SYQHCUMBSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193865835 782018397 /nfs/dbraw/zinc/01/83/97/782018397.db2.gz RVQHCMIGDLKRPW-RYUDHWBXSA-N 1 1 324.381 -1.066 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875323 782018703 /nfs/dbraw/zinc/01/87/03/782018703.db2.gz OHNZKJGPVIKZLC-CYZMBNFOSA-N 1 1 324.381 -1.284 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001193875380 782018751 /nfs/dbraw/zinc/01/87/51/782018751.db2.gz RAXHXRKNPOYLFL-CHWSQXEVSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193821392 782018775 /nfs/dbraw/zinc/01/87/75/782018775.db2.gz GFMDMOYQDUQYOG-VXGBXAGGSA-N 1 1 323.401 -1.644 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820955 782018870 /nfs/dbraw/zinc/01/88/70/782018870.db2.gz AQOLGTRAGJQVCE-JHJVBQTASA-N 1 1 310.398 -1.480 20 0 DAADMO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193883122 782017882 /nfs/dbraw/zinc/01/78/82/782017882.db2.gz GZNMLIRRISQDRM-SYQHCUMBSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193890405 782019410 /nfs/dbraw/zinc/01/94/10/782019410.db2.gz XCWDTEBYHHNWMO-NXEZZACHSA-N 1 1 323.357 -1.606 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001193935172 782020336 /nfs/dbraw/zinc/02/03/36/782020336.db2.gz WMHUCMZNJMJBCK-QJPTWQEYSA-N 1 1 312.370 -1.489 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193939777 782020462 /nfs/dbraw/zinc/02/04/62/782020462.db2.gz DSMIWPAOJOLIIV-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193897925 782020525 /nfs/dbraw/zinc/02/05/25/782020525.db2.gz PMQOKVUOEJPUAC-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193897925 782020518 /nfs/dbraw/zinc/02/05/18/782020518.db2.gz PMQOKVUOEJPUAC-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001193940755 782020654 /nfs/dbraw/zinc/02/06/54/782020654.db2.gz FQLDKPGRSIJJKM-MVWJERBFSA-N 1 1 315.395 -1.146 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922804 782021742 /nfs/dbraw/zinc/02/17/42/782021742.db2.gz YRKWDFAMALNNBJ-NSHDSACASA-N 1 1 302.375 -1.414 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCNC(N)=O)C1)[C@@H]1CCCNC1=O ZINC001193922069 782021891 /nfs/dbraw/zinc/02/18/91/782021891.db2.gz PZQDXQLQQIHHRD-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922447 782022045 /nfs/dbraw/zinc/02/20/45/782022045.db2.gz VIJCQSYOYZRLOU-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922447 782022050 /nfs/dbraw/zinc/02/20/50/782022050.db2.gz VIJCQSYOYZRLOU-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922774 782022647 /nfs/dbraw/zinc/02/26/47/782022647.db2.gz XYDNFPOVJKGEGJ-MNOVXSKESA-N 1 1 302.375 -1.415 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C2)cn1 ZINC001193941136 782022821 /nfs/dbraw/zinc/02/28/21/782022821.db2.gz MYFBAVXOIJNCNV-VXGBXAGGSA-N 1 1 323.397 -1.365 20 0 DAADMO CN(CCN1CCCS1(=O)=O)C(=O)CN1CC[NH+](C)CC1 ZINC000674562831 545868925 /nfs/dbraw/zinc/86/89/25/545868925.db2.gz DIBDRVVAZURJIT-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000674877556 545869838 /nfs/dbraw/zinc/86/98/38/545869838.db2.gz WRTVFKKQDIUNFY-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO C[C@H](NC(=O)CN1CCCS1(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000676257759 545872269 /nfs/dbraw/zinc/87/22/69/545872269.db2.gz JJFDDMDHKRQCJH-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](NC(=O)CN1CCCS1(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676257759 545872273 /nfs/dbraw/zinc/87/22/73/545872273.db2.gz JJFDDMDHKRQCJH-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](NC(=O)NCCN1C(=O)CNC1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676244916 545872675 /nfs/dbraw/zinc/87/26/75/545872675.db2.gz DAANLBLAXQFPQM-VHSXEESVSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@H](NC(=O)NCCN1C(=O)CNC1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676244916 545872680 /nfs/dbraw/zinc/87/26/80/545872680.db2.gz DAANLBLAXQFPQM-VHSXEESVSA-N 1 1 313.358 -1.444 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340450 545872703 /nfs/dbraw/zinc/87/27/03/545872703.db2.gz FUOPGGWXTPOLPE-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H](NC(=O)NCC(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000678949739 545879110 /nfs/dbraw/zinc/87/91/10/545879110.db2.gz KMIWTUUFCSFOKE-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@@H](NC(=O)NCC(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000678949739 545879114 /nfs/dbraw/zinc/87/91/14/545879114.db2.gz KMIWTUUFCSFOKE-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000681990503 545885551 /nfs/dbraw/zinc/88/55/51/545885551.db2.gz VAULATUPJREZDD-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[N@H+]1CCO ZINC000681750375 545886334 /nfs/dbraw/zinc/88/63/34/545886334.db2.gz YSGLLHBCVJSTPN-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685337078 545892920 /nfs/dbraw/zinc/89/29/20/545892920.db2.gz ZJNFARLPIVLOFX-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337078 545892926 /nfs/dbraw/zinc/89/29/26/545892926.db2.gz ZJNFARLPIVLOFX-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342785 545893308 /nfs/dbraw/zinc/89/33/08/545893308.db2.gz JFTNWXDMADTHHE-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342785 545893312 /nfs/dbraw/zinc/89/33/12/545893312.db2.gz JFTNWXDMADTHHE-DCAQKATOSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001193946946 782024482 /nfs/dbraw/zinc/02/44/82/782024482.db2.gz FDWMCIYUFJHRRK-NXEZZACHSA-N 1 1 310.358 -2.049 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001193946946 782024491 /nfs/dbraw/zinc/02/44/91/782024491.db2.gz FDWMCIYUFJHRRK-NXEZZACHSA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947852 782024515 /nfs/dbraw/zinc/02/45/15/782024515.db2.gz XQZNNKRWMPHVBT-GMTAPVOTSA-N 1 1 301.387 -1.180 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001193977894 782024793 /nfs/dbraw/zinc/02/47/93/782024793.db2.gz DMTKCIINRDBCOL-DDHJBXDOSA-N 1 1 315.370 -2.176 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001194009987 782024822 /nfs/dbraw/zinc/02/48/22/782024822.db2.gz FWWMTGPZUSSXLO-QJPTWQEYSA-N 1 1 312.370 -1.521 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001193978004 782025244 /nfs/dbraw/zinc/02/52/44/782025244.db2.gz JFMLYCLMCTYDSO-IJLUTSLNSA-N 1 1 315.370 -2.175 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCC(=O)N1 ZINC001193978004 782025248 /nfs/dbraw/zinc/02/52/48/782025248.db2.gz JFMLYCLMCTYDSO-IJLUTSLNSA-N 1 1 315.370 -2.175 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001194088459 782026019 /nfs/dbraw/zinc/02/60/19/782026019.db2.gz SPMOXPCEBRVPNQ-MELADBBJSA-N 1 1 318.381 -1.545 20 0 DAADMO CN(C=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001194025766 782026361 /nfs/dbraw/zinc/02/63/61/782026361.db2.gz OEVNBXAGBOXGOB-FRRDWIJNSA-N 1 1 304.354 -1.588 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 ZINC001194039807 782026418 /nfs/dbraw/zinc/02/64/18/782026418.db2.gz VSSJIJGEKOHEBD-CYZMBNFOSA-N 1 1 312.370 -1.521 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001144 782027571 /nfs/dbraw/zinc/02/75/71/782027571.db2.gz FHEJARMWWIQSDS-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O)[NH+](C)C ZINC001194095804 782028699 /nfs/dbraw/zinc/02/86/99/782028699.db2.gz RDGSAXKRDXQRSG-FDYHWXHSSA-N 1 1 303.403 -1.505 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237755 782030817 /nfs/dbraw/zinc/03/08/17/782030817.db2.gz CKDGPZGBLBTPTI-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238060 782030922 /nfs/dbraw/zinc/03/09/22/782030922.db2.gz HHTXETAUIREDNW-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194306277 782031983 /nfs/dbraw/zinc/03/19/83/782031983.db2.gz UEHOCKQWZZFJTP-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001194306277 782031988 /nfs/dbraw/zinc/03/19/88/782031988.db2.gz UEHOCKQWZZFJTP-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001194244030 782032075 /nfs/dbraw/zinc/03/20/75/782032075.db2.gz IDTDPDUNAYLFHD-YNEHKIRRSA-N 1 1 317.430 -1.115 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1O ZINC001194244030 782032084 /nfs/dbraw/zinc/03/20/84/782032084.db2.gz IDTDPDUNAYLFHD-YNEHKIRRSA-N 1 1 317.430 -1.115 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194256432 782032371 /nfs/dbraw/zinc/03/23/71/782032371.db2.gz QNLPHRQSLPUGLL-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255458 782032628 /nfs/dbraw/zinc/03/26/28/782032628.db2.gz HMPLEINZLARRNM-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001194255045 782033381 /nfs/dbraw/zinc/03/33/81/782033381.db2.gz FJRFEDMPXFMEDK-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001194255045 782033390 /nfs/dbraw/zinc/03/33/90/782033390.db2.gz FJRFEDMPXFMEDK-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329145 782034603 /nfs/dbraw/zinc/03/46/03/782034603.db2.gz JVLPRRDMWXVQIW-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329145 782034609 /nfs/dbraw/zinc/03/46/09/782034609.db2.gz JVLPRRDMWXVQIW-IWSPIJDZSA-N 1 1 309.313 -1.436 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237747 782029824 /nfs/dbraw/zinc/02/98/24/782029824.db2.gz CKDGPZGBLBTPTI-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001194423698 782037142 /nfs/dbraw/zinc/03/71/42/782037142.db2.gz FARHZCXZWSRLHG-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000180499566 262486240 /nfs/dbraw/zinc/48/62/40/262486240.db2.gz DXQMJYYOSHPWNE-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO Cn1cc(/C=C/C(=O)NCC(F)(F)C[NH3+])c(=O)n(C)c1=O ZINC000190300303 262488096 /nfs/dbraw/zinc/48/80/96/262488096.db2.gz OZHLEBQOWJCVKX-ONEGZZNKSA-N 1 1 302.281 -1.193 20 0 DAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC(O)C1 ZINC000330090662 262501964 /nfs/dbraw/zinc/50/19/64/262501964.db2.gz XARPXEZNAAAMDF-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330683145 262506916 /nfs/dbraw/zinc/50/69/16/262506916.db2.gz ILWCGNOUHKWZNT-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO COC(=O)[C@H]1CNC(=O)CN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000330955863 262508937 /nfs/dbraw/zinc/50/89/37/262508937.db2.gz JYGIKJYCVKZECI-VHSXEESVSA-N 1 1 315.395 -1.076 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)nn1 ZINC000331189099 262511598 /nfs/dbraw/zinc/51/15/98/262511598.db2.gz UVAYKCOVYXHLAT-SNVBAGLBSA-N 1 1 311.342 -1.410 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)nn1 ZINC000331189099 262511600 /nfs/dbraw/zinc/51/16/00/262511600.db2.gz UVAYKCOVYXHLAT-SNVBAGLBSA-N 1 1 311.342 -1.410 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000347914265 262546553 /nfs/dbraw/zinc/54/65/53/262546553.db2.gz WKEUBMPHZXIFOI-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000347914265 262546556 /nfs/dbraw/zinc/54/65/56/262546556.db2.gz WKEUBMPHZXIFOI-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO CC(C)N(C[C@H](C)O)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347970085 262548332 /nfs/dbraw/zinc/54/83/32/262548332.db2.gz QFUKTAPJGBBKEE-QWHCGFSZSA-N 1 1 314.430 -1.034 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000347965313 262548627 /nfs/dbraw/zinc/54/86/27/262548627.db2.gz KZBOGXKQSPTTDV-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000351341566 262554602 /nfs/dbraw/zinc/55/46/02/262554602.db2.gz QDMROCUNYZCFIC-AWEZNQCLSA-N 1 1 324.425 -1.136 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000354841596 262568172 /nfs/dbraw/zinc/56/81/72/262568172.db2.gz FRSWVIPONFUKGP-CQSZACIVSA-N 1 1 304.387 -1.073 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CCN(CC(N)=O)CC2)CC1 ZINC000355610818 262570881 /nfs/dbraw/zinc/57/08/81/262570881.db2.gz SFOUHNFNCPPUHM-UHFFFAOYSA-N 1 1 311.430 -1.357 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358188212 262581768 /nfs/dbraw/zinc/58/17/68/262581768.db2.gz TXRRLVDHDNHCPH-VHSXEESVSA-N 1 1 321.399 -1.335 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358188212 262581770 /nfs/dbraw/zinc/58/17/70/262581770.db2.gz TXRRLVDHDNHCPH-VHSXEESVSA-N 1 1 321.399 -1.335 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000358457692 262583622 /nfs/dbraw/zinc/58/36/22/262583622.db2.gz ZXPOOCFCYNBIGS-SECBINFHSA-N 1 1 307.372 -1.581 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363192816 263217743 /nfs/dbraw/zinc/21/77/43/263217743.db2.gz OQJXPCYTCGJRSP-AXFHLTTASA-N 1 1 310.354 -1.046 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000352445371 263218200 /nfs/dbraw/zinc/21/82/00/263218200.db2.gz NBNDHAJHKUESCX-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000347492927 263219825 /nfs/dbraw/zinc/21/98/25/263219825.db2.gz AYVWOVLLWOOEQI-JTQLQIEISA-N 1 1 312.395 -1.402 20 0 DAADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@H](O)CN1CCOCC1 ZINC000434999830 263220287 /nfs/dbraw/zinc/22/02/87/263220287.db2.gz KGEXYDGOTAETSV-GFCCVEGCSA-N 1 1 314.386 -1.401 20 0 DAADMO C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@H](O)CN1CCOCC1 ZINC000434999830 263220290 /nfs/dbraw/zinc/22/02/90/263220290.db2.gz KGEXYDGOTAETSV-GFCCVEGCSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000354405208 263221789 /nfs/dbraw/zinc/22/17/89/263221789.db2.gz PVWBJTFQJPTLPT-TUAOUCFPSA-N 1 1 314.386 -1.273 20 0 DAADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000444708171 263222332 /nfs/dbraw/zinc/22/23/32/263222332.db2.gz OLSHKCWGBOYHEQ-UTUOFQBUSA-N 1 1 300.355 -1.175 20 0 DAADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000444708171 263222333 /nfs/dbraw/zinc/22/23/33/263222333.db2.gz OLSHKCWGBOYHEQ-UTUOFQBUSA-N 1 1 300.355 -1.175 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCO1 ZINC000359320522 263222884 /nfs/dbraw/zinc/22/28/84/263222884.db2.gz QOIARAKYNSNXHW-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COC(=O)C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(=O)OC ZINC000348418380 263225389 /nfs/dbraw/zinc/22/53/89/263225389.db2.gz UUPROGUNIABTOP-WDEREUQCSA-N 1 1 315.370 -1.157 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCNC(C)=O)C1 ZINC000343880202 263226884 /nfs/dbraw/zinc/22/68/84/263226884.db2.gz BGPMDNCFBIVZTN-LBPRGKRZSA-N 1 1 314.386 -1.534 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000487461445 263227277 /nfs/dbraw/zinc/22/72/77/263227277.db2.gz JAEJQJHBWUAXJY-NEPJUHHUSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000487461445 263227278 /nfs/dbraw/zinc/22/72/78/263227278.db2.gz JAEJQJHBWUAXJY-NEPJUHHUSA-N 1 1 301.387 -1.356 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000358571005 263228037 /nfs/dbraw/zinc/22/80/37/263228037.db2.gz OFMTWBXCZRWTIG-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1=O ZINC000352386708 263229369 /nfs/dbraw/zinc/22/93/69/263229369.db2.gz FKEJXEWDCKVLKP-NSHDSACASA-N 1 1 324.385 -1.715 20 0 DAADMO O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCOCC1 ZINC000362827741 263229749 /nfs/dbraw/zinc/22/97/49/263229749.db2.gz UZQYZDJTHYDCRW-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1)N1CCOCC1 ZINC000362827741 263229751 /nfs/dbraw/zinc/22/97/51/263229751.db2.gz UZQYZDJTHYDCRW-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000330366556 263230581 /nfs/dbraw/zinc/23/05/81/263230581.db2.gz VBCYRBIIKZXZEA-NWDGAFQWSA-N 1 1 307.416 -1.568 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000347107342 263231223 /nfs/dbraw/zinc/23/12/23/263231223.db2.gz PVRUCLIYUUTOEA-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000356803396 263232337 /nfs/dbraw/zinc/23/23/37/263232337.db2.gz MEDVZGRCTRNZII-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000356803396 263232339 /nfs/dbraw/zinc/23/23/39/263232339.db2.gz MEDVZGRCTRNZII-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(CCCNC(=O)C[N@H+](C)C1(CO)CC1)S(C)(=O)=O ZINC000353010407 263233138 /nfs/dbraw/zinc/23/31/38/263233138.db2.gz UQUUPRIEYQOATJ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@@H+](C)C1(CO)CC1)S(C)(=O)=O ZINC000353010407 263233139 /nfs/dbraw/zinc/23/31/39/263233139.db2.gz UQUUPRIEYQOATJ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000245977613 263234097 /nfs/dbraw/zinc/23/40/97/263234097.db2.gz OXVOWJKPPDCVDR-CLLJXQQHSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000245977613 263234100 /nfs/dbraw/zinc/23/41/00/263234100.db2.gz OXVOWJKPPDCVDR-CLLJXQQHSA-N 1 1 312.414 -1.232 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC1 ZINC000497090328 263234653 /nfs/dbraw/zinc/23/46/53/263234653.db2.gz PMVJLJOUAZNSKD-LBPRGKRZSA-N 1 1 317.386 -1.038 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)CC1 ZINC000497090328 263234655 /nfs/dbraw/zinc/23/46/55/263234655.db2.gz PMVJLJOUAZNSKD-LBPRGKRZSA-N 1 1 317.386 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000408387061 263236740 /nfs/dbraw/zinc/23/67/40/263236740.db2.gz VYQNSFBQVLCVCF-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000349905321 263237474 /nfs/dbraw/zinc/23/74/74/263237474.db2.gz MAFVAECQAPNRSC-MNOVXSKESA-N 1 1 300.359 -1.397 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000351948301 263237899 /nfs/dbraw/zinc/23/78/99/263237899.db2.gz CYCWPABIUWUELQ-CYBMUJFWSA-N 1 1 323.397 -1.200 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000351948301 263237903 /nfs/dbraw/zinc/23/79/03/263237903.db2.gz CYCWPABIUWUELQ-CYBMUJFWSA-N 1 1 323.397 -1.200 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)C1CC1 ZINC000343295690 263238555 /nfs/dbraw/zinc/23/85/55/263238555.db2.gz KTAWNHJAHDGXPQ-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000444702925 263238982 /nfs/dbraw/zinc/23/89/82/263238982.db2.gz JHZTVERNUKNEBZ-TXEJJXNPSA-N 1 1 323.349 -1.399 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000444702925 263238985 /nfs/dbraw/zinc/23/89/85/263238985.db2.gz JHZTVERNUKNEBZ-TXEJJXNPSA-N 1 1 323.349 -1.399 20 0 DAADMO C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000181588932 263239745 /nfs/dbraw/zinc/23/97/45/263239745.db2.gz MRDRHSQXEJBQFY-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO CC[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347965591 263240015 /nfs/dbraw/zinc/24/00/15/263240015.db2.gz LQUBSYBGVVIKQC-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000358577210 263240660 /nfs/dbraw/zinc/24/06/60/263240660.db2.gz SOUKVHKNCQEVIZ-XQQFMLRXSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424037715 263241457 /nfs/dbraw/zinc/24/14/57/263241457.db2.gz HDTPYWRZDWIACU-UHFFFAOYSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000408067067 263242558 /nfs/dbraw/zinc/24/25/58/263242558.db2.gz AOHQRDMTIYEBLH-UWVGGRQHSA-N 1 1 323.397 -1.127 20 0 DAADMO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN(C)CCOC ZINC000419365425 263242810 /nfs/dbraw/zinc/24/28/10/263242810.db2.gz XKSBLMQYJGEOPS-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362079454 263243751 /nfs/dbraw/zinc/24/37/51/263243751.db2.gz PENNPEAHSJCQEB-ZDUSSCGKSA-N 1 1 309.414 -1.734 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000262268326 263244598 /nfs/dbraw/zinc/24/45/98/263244598.db2.gz MSYMCGGFPHGZGU-MNOVXSKESA-N 1 1 305.400 -1.790 20 0 DAADMO COC[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000348006671 263244608 /nfs/dbraw/zinc/24/46/08/263244608.db2.gz JKQNULRMJPVQQZ-QWHCGFSZSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)CO)C[NH+]1CCOCC1 ZINC000357997985 263246052 /nfs/dbraw/zinc/24/60/52/263246052.db2.gz WQGOKPUOQNCBJA-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[NH+](CCO)CC1 ZINC000343129236 263246973 /nfs/dbraw/zinc/24/69/73/263246973.db2.gz FEIAREMZRHLRMS-UHFFFAOYSA-N 1 1 323.415 -1.921 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000358577217 263247538 /nfs/dbraw/zinc/24/75/38/263247538.db2.gz SOUKVHKNCQEVIZ-YNEHKIRRSA-N 1 1 313.398 -1.090 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000356970192 263248535 /nfs/dbraw/zinc/24/85/35/263248535.db2.gz ZSICUDPRHOFPLM-GHMZBOCLSA-N 1 1 313.354 -1.680 20 0 DAADMO COC(=O)C[C@]1([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CCOC1 ZINC000362261134 263248677 /nfs/dbraw/zinc/24/86/77/263248677.db2.gz DRFQJTZDWITKEF-QMTHXVAHSA-N 1 1 315.370 -1.109 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000332018548 263249607 /nfs/dbraw/zinc/24/96/07/263249607.db2.gz QJVOMYXBJQQAGK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000370750295 263249631 /nfs/dbraw/zinc/24/96/31/263249631.db2.gz PFWFRQCLXMCOGB-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000356803393 263250423 /nfs/dbraw/zinc/25/04/23/263250423.db2.gz MEDVZGRCTRNZII-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000356803393 263250425 /nfs/dbraw/zinc/25/04/25/263250425.db2.gz MEDVZGRCTRNZII-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO O=S(=O)(NC[C@@H]1COCC[NH2+]1)c1cccc(-n2cnnn2)c1 ZINC000528054974 263251114 /nfs/dbraw/zinc/25/11/14/263251114.db2.gz CBCUBMQUGKFLAE-SNVBAGLBSA-N 1 1 324.366 -1.071 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000347043139 263252621 /nfs/dbraw/zinc/25/26/21/263252621.db2.gz FEVJLZNSEHBFRT-JTQLQIEISA-N 1 1 313.358 -1.442 20 0 DAADMO COC(=O)CNC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435536722 263253402 /nfs/dbraw/zinc/25/34/02/263253402.db2.gz VDUVAZRLGLSQIM-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO COC(=O)CNC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435536722 263253404 /nfs/dbraw/zinc/25/34/04/263253404.db2.gz VDUVAZRLGLSQIM-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000496994513 263253448 /nfs/dbraw/zinc/25/34/48/263253448.db2.gz BBUCFRUXLSONAN-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000408184712 263253624 /nfs/dbraw/zinc/25/36/24/263253624.db2.gz ZIFRRJIGPQIFSS-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO O=C(CNC(=O)[C@H]1CSC[NH2+]1)NCCN1CCOCC1 ZINC000360199728 263254760 /nfs/dbraw/zinc/25/47/60/263254760.db2.gz SCAQGNUEHGBDRB-SNVBAGLBSA-N 1 1 302.400 -1.787 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347330484 263254821 /nfs/dbraw/zinc/25/48/21/263254821.db2.gz JDZRHXAWZFVKSS-HBNTYKKESA-N 1 1 303.359 -1.335 20 0 DAADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000358163886 263255511 /nfs/dbraw/zinc/25/55/11/263255511.db2.gz HOZQHXHEFDAEBF-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CS(=O)(=O)N(C)C ZINC000330632381 263256018 /nfs/dbraw/zinc/25/60/18/263256018.db2.gz HVJCHITVHQAGIO-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO NCC(=O)NCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000347656880 263256234 /nfs/dbraw/zinc/25/62/34/263256234.db2.gz WEWPAKSVHRNFHM-UHFFFAOYSA-N 1 1 311.386 -2.172 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1CCO ZINC000428164023 263257268 /nfs/dbraw/zinc/25/72/68/263257268.db2.gz IFBURGRQZUHFHH-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@H+]1CCO ZINC000428164023 263257270 /nfs/dbraw/zinc/25/72/70/263257270.db2.gz IFBURGRQZUHFHH-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000314880868 263257843 /nfs/dbraw/zinc/25/78/43/263257843.db2.gz ZWXYNLYMXWJXNK-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000314880868 263257845 /nfs/dbraw/zinc/25/78/45/263257845.db2.gz ZWXYNLYMXWJXNK-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408237798 263260741 /nfs/dbraw/zinc/26/07/41/263260741.db2.gz UIFCUGDUZQPGEH-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408237798 263260745 /nfs/dbraw/zinc/26/07/45/263260745.db2.gz UIFCUGDUZQPGEH-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCN1CCSCC1 ZINC000420159711 263260957 /nfs/dbraw/zinc/26/09/57/263260957.db2.gz ZHZGTRBRQIXTRQ-UHFFFAOYSA-N 1 1 310.370 -1.138 20 0 DAADMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCN1C(=O)CNC1=O ZINC000436063609 263262023 /nfs/dbraw/zinc/26/20/23/263262023.db2.gz UODOTMFQCRYKDC-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCn2c(=O)ccn(C)c2=O)C1 ZINC000425278167 263262041 /nfs/dbraw/zinc/26/20/41/263262041.db2.gz YTNFGMOTFXMIMX-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCn2c(=O)ccn(C)c2=O)C1 ZINC000425278167 263262043 /nfs/dbraw/zinc/26/20/43/263262043.db2.gz YTNFGMOTFXMIMX-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C[C@H]1NC(=O)NC1=O ZINC000345360664 263262316 /nfs/dbraw/zinc/26/23/16/263262316.db2.gz NVDGFJSAEQVIIR-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCCN(C)C(=O)C[C@H]1NC(=O)NC1=O)CC[NH+](C)C ZINC000345360664 263262317 /nfs/dbraw/zinc/26/23/17/263262317.db2.gz NVDGFJSAEQVIIR-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000419167392 263262876 /nfs/dbraw/zinc/26/28/76/263262876.db2.gz CYIKOFOGJZGJPO-SSDOTTSWSA-N 1 1 304.297 -1.424 20 0 DAADMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198374 263263277 /nfs/dbraw/zinc/26/32/77/263263277.db2.gz QUBDKTMFQLTBJE-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000183198374 263263279 /nfs/dbraw/zinc/26/32/79/263263279.db2.gz QUBDKTMFQLTBJE-DTWKUNHWSA-N 1 1 310.354 -1.448 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC000330452535 263264268 /nfs/dbraw/zinc/26/42/68/263264268.db2.gz KTDZFHIFKYXJDO-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000331107823 263265462 /nfs/dbraw/zinc/26/54/62/263265462.db2.gz RQVMQXSWIVOGLR-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000131100442 263265991 /nfs/dbraw/zinc/26/59/91/263265991.db2.gz PQPCPPFNILOIGR-GFCCVEGCSA-N 1 1 300.403 -1.469 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C2COC2)CC1 ZINC000330237962 263266175 /nfs/dbraw/zinc/26/61/75/263266175.db2.gz ZSUPVURFOJCMSA-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000347954944 263266278 /nfs/dbraw/zinc/26/62/78/263266278.db2.gz CNQRTPMQXASERP-VHSXEESVSA-N 1 1 302.327 -1.384 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000347954944 263266281 /nfs/dbraw/zinc/26/62/81/263266281.db2.gz CNQRTPMQXASERP-VHSXEESVSA-N 1 1 302.327 -1.384 20 0 DAADMO C[N@@H+](CCCC(=O)NC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000434975509 263266923 /nfs/dbraw/zinc/26/69/23/263266923.db2.gz CSLHAMWKHDKBNR-NSHDSACASA-N 1 1 302.375 -1.414 20 0 DAADMO COC[C@@](C)(O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000522118706 263271024 /nfs/dbraw/zinc/27/10/24/263271024.db2.gz DCLIMTFZBHDLEF-AWEZNQCLSA-N 1 1 316.402 -1.153 20 0 DAADMO CCN(CCO)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000357995520 263272666 /nfs/dbraw/zinc/27/26/66/263272666.db2.gz PAZPANGHELAXFU-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](CO)NC(N)=O)C[C@H](C)O1 ZINC000345556262 263272881 /nfs/dbraw/zinc/27/28/81/263272881.db2.gz NVNSNPASLZJPTE-OUAUKWLOSA-N 1 1 302.375 -1.369 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330511782 263273615 /nfs/dbraw/zinc/27/36/15/263273615.db2.gz BNSZPXZSPONSOC-LLVKDONJSA-N 1 1 303.388 -1.346 20 0 DAADMO CN(C)c1[nH+]cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C ZINC000330136235 263273943 /nfs/dbraw/zinc/27/39/43/263273943.db2.gz UABHJRMPZKKHCN-LLVKDONJSA-N 1 1 306.370 -1.371 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000332492474 263274332 /nfs/dbraw/zinc/27/43/32/263274332.db2.gz VKNQTCLHESEGJV-AWEZNQCLSA-N 1 1 324.425 -1.059 20 0 DAADMO C[NH2+][C@H](C(=O)NCCC(=O)N1CCN(C)CC1)c1cnn(C)c1 ZINC000262309079 263274390 /nfs/dbraw/zinc/27/43/90/263274390.db2.gz CPMFJBJJIHOWTO-AWEZNQCLSA-N 1 1 322.413 -1.039 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CN(C)S(C)(=O)=O ZINC000345374219 263276981 /nfs/dbraw/zinc/27/69/81/263276981.db2.gz SVBNTOHJOKRCIK-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO CN(CCCNC(=O)CN(C)S(C)(=O)=O)CC[NH+](C)C ZINC000345374219 263276984 /nfs/dbraw/zinc/27/69/84/263276984.db2.gz SVBNTOHJOKRCIK-UHFFFAOYSA-N 1 1 308.448 -1.123 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1CO ZINC000362056705 263278683 /nfs/dbraw/zinc/27/86/83/263278683.db2.gz PQVAXDZAMOBTFH-NEPJUHHUSA-N 1 1 321.443 -1.056 20 0 DAADMO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430615788 263282642 /nfs/dbraw/zinc/28/26/42/263282642.db2.gz DCRDFJJVBISMCK-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430615788 263282644 /nfs/dbraw/zinc/28/26/44/263282644.db2.gz DCRDFJJVBISMCK-NSHDSACASA-N 1 1 311.386 -1.285 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000342503035 263283250 /nfs/dbraw/zinc/28/32/50/263283250.db2.gz YUJAEVLJCRYTRM-SECBINFHSA-N 1 1 307.372 -1.711 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000515860732 263284432 /nfs/dbraw/zinc/28/44/32/263284432.db2.gz KWWMIUVSKLZOAH-AOOOYVTPSA-N 1 1 308.404 -2.046 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000522146192 263284441 /nfs/dbraw/zinc/28/44/41/263284441.db2.gz ONOHBBWIBXIIBS-LLVKDONJSA-N 1 1 307.358 -1.704 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444680336 263286626 /nfs/dbraw/zinc/28/66/26/263286626.db2.gz DZWMVKIWBCYZJM-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000363147463 263286884 /nfs/dbraw/zinc/28/68/84/263286884.db2.gz UWARAGNMUTZOFK-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC[N@@H+](CC)CCO ZINC000458958734 263287000 /nfs/dbraw/zinc/28/70/00/263287000.db2.gz QASUNUIGWOLQHV-NSHDSACASA-N 1 1 324.447 -1.072 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362661481 263287084 /nfs/dbraw/zinc/28/70/84/263287084.db2.gz FGXPXUBGRFFYSH-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000407951108 263287262 /nfs/dbraw/zinc/28/72/62/263287262.db2.gz XTWFZEFMRCLEMS-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO CS(=O)(=O)N1CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC000407951108 263287263 /nfs/dbraw/zinc/28/72/63/263287263.db2.gz XTWFZEFMRCLEMS-ZDUSSCGKSA-N 1 1 321.443 -1.353 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000329173975 263287873 /nfs/dbraw/zinc/28/78/73/263287873.db2.gz LBGYJWTVWUJFTI-GHMZBOCLSA-N 1 1 310.354 -1.188 20 0 DAADMO CNC(=O)[C@H](C)CN(C)CC(O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000194601506 263288422 /nfs/dbraw/zinc/28/84/22/263288422.db2.gz LZYOVHCSMZWUDE-VXGBXAGGSA-N 1 1 316.446 -1.025 20 0 DAADMO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000355302978 263289430 /nfs/dbraw/zinc/28/94/30/263289430.db2.gz WJFUPJGWFHHDRD-STQMWFEESA-N 1 1 313.446 -1.195 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC000330452536 263291402 /nfs/dbraw/zinc/29/14/02/263291402.db2.gz KTDZFHIFKYXJDO-SNVBAGLBSA-N 1 1 308.404 -2.045 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428549237 263291631 /nfs/dbraw/zinc/29/16/31/263291631.db2.gz SDLXXSDKYGRQBA-GVXVVHGQSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428549237 263291633 /nfs/dbraw/zinc/29/16/33/263291633.db2.gz SDLXXSDKYGRQBA-GVXVVHGQSA-N 1 1 313.398 -1.213 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000343928732 263295895 /nfs/dbraw/zinc/29/58/95/263295895.db2.gz WKPCKAKZIYKZLU-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000352445370 263296529 /nfs/dbraw/zinc/29/65/29/263296529.db2.gz NBNDHAJHKUESCX-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000347045345 263296694 /nfs/dbraw/zinc/29/66/94/263296694.db2.gz OIOMODXHYJSCRQ-JTQLQIEISA-N 1 1 308.404 -1.445 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000343293094 263296986 /nfs/dbraw/zinc/29/69/86/263296986.db2.gz HAWIXRPJGOFVRM-UHFFFAOYSA-N 1 1 323.397 -1.049 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)NCC[NH+]1CCC1 ZINC000447752939 263297185 /nfs/dbraw/zinc/29/71/85/263297185.db2.gz XTWYNZVFOJDIAT-UHFFFAOYSA-N 1 1 313.445 -1.107 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000407950516 263297402 /nfs/dbraw/zinc/29/74/02/263297402.db2.gz KDKFQHOGJYPQHW-VIFPVBQESA-N 1 1 318.399 -1.060 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000407950516 263297405 /nfs/dbraw/zinc/29/74/05/263297405.db2.gz KDKFQHOGJYPQHW-VIFPVBQESA-N 1 1 318.399 -1.060 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366785613 263299377 /nfs/dbraw/zinc/29/93/77/263299377.db2.gz HNOHKOQKKLMYBX-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366785613 263299380 /nfs/dbraw/zinc/29/93/80/263299380.db2.gz HNOHKOQKKLMYBX-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000361952303 263299580 /nfs/dbraw/zinc/29/95/80/263299580.db2.gz NJKOCAZYABFXJL-UHFFFAOYSA-N 1 1 316.402 -1.151 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000361952303 263299582 /nfs/dbraw/zinc/29/95/82/263299582.db2.gz NJKOCAZYABFXJL-UHFFFAOYSA-N 1 1 316.402 -1.151 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000428490913 263300365 /nfs/dbraw/zinc/30/03/65/263300365.db2.gz QGVRQHZPGUGPPJ-GMXVVIOVSA-N 1 1 313.398 -1.213 20 0 DAADMO COC(=O)[C@](C)(O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000343792710 263300754 /nfs/dbraw/zinc/30/07/54/263300754.db2.gz JTWIILYCXJNFIT-CQSZACIVSA-N 1 1 310.354 -1.174 20 0 DAADMO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000333304842 263301564 /nfs/dbraw/zinc/30/15/64/263301564.db2.gz MXLKAVFLEXPZFQ-SFYZADRCSA-N 1 1 320.353 -1.283 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000418925385 263301663 /nfs/dbraw/zinc/30/16/63/263301663.db2.gz QENUMELLJUFEHW-GFCCVEGCSA-N 1 1 300.403 -1.124 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342746663 263301769 /nfs/dbraw/zinc/30/17/69/263301769.db2.gz GTIHLLXJQCRBKB-QMMMGPOBSA-N 1 1 312.342 -1.421 20 0 DAADMO C[C@H](CO)[N@@H+](CC(=O)NCC(=O)N1CCCC1)C[C@H](C)O ZINC000443333722 263301968 /nfs/dbraw/zinc/30/19/68/263301968.db2.gz KPHAYYVGGSNCIL-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](CO)[N@H+](CC(=O)NCC(=O)N1CCCC1)C[C@H](C)O ZINC000443333722 263301970 /nfs/dbraw/zinc/30/19/70/263301970.db2.gz KPHAYYVGGSNCIL-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2cncc3ncnn32)CC1 ZINC000424189457 263302042 /nfs/dbraw/zinc/30/20/42/263302042.db2.gz NHFGQGJTKDZKDE-NSHDSACASA-N 1 1 317.353 -1.239 20 0 DAADMO CC[N@H+](CCCO)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000343702478 263302456 /nfs/dbraw/zinc/30/24/56/263302456.db2.gz FDECAYOHESVGCE-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000343702478 263302457 /nfs/dbraw/zinc/30/24/57/263302457.db2.gz FDECAYOHESVGCE-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000347793244 263303584 /nfs/dbraw/zinc/30/35/84/263303584.db2.gz MSKSOGDLXXYNCN-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000342059961 263304026 /nfs/dbraw/zinc/30/40/26/263304026.db2.gz JPFZKGJBVAIORX-ONGXEEELSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000330489922 263304111 /nfs/dbraw/zinc/30/41/11/263304111.db2.gz MWZFGRKQONVBBG-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1CO ZINC000362088690 263304655 /nfs/dbraw/zinc/30/46/55/263304655.db2.gz RAGSTYOIPMNZRG-QWRGUYRKSA-N 1 1 321.381 -1.006 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000341728137 263305210 /nfs/dbraw/zinc/30/52/10/263305210.db2.gz JGLWOSANQOIWFP-AWEZNQCLSA-N 1 1 320.393 -1.233 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000408372015 263306876 /nfs/dbraw/zinc/30/68/76/263306876.db2.gz APQQOIZUZFNJJK-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO CNc1nc(N[C@H](C)CC(N)=O)[nH+]c(N[C@H](C)CC(N)=O)n1 ZINC000343913776 263307448 /nfs/dbraw/zinc/30/74/48/263307448.db2.gz HFQCWFJJGUIKJS-RNFRBKRXSA-N 1 1 310.362 -2.469 20 0 DAADMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCN2CCNC(=O)C2)C1 ZINC000333575814 263308599 /nfs/dbraw/zinc/30/85/99/263308599.db2.gz MYQXLEUYUIFWFE-CYBMUJFWSA-N 1 1 301.366 -1.239 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000346659577 263308903 /nfs/dbraw/zinc/30/89/03/263308903.db2.gz UUNLCEPJJKCXNA-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO COC(=O)COCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354911504 263309410 /nfs/dbraw/zinc/30/94/10/263309410.db2.gz QILRSEBGLBCSSI-UHFFFAOYSA-N 1 1 315.370 -1.202 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCn2cnnc2C1 ZINC000357578689 263311085 /nfs/dbraw/zinc/31/10/85/263311085.db2.gz OIDVDTFHUQGRJQ-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000333304824 263311096 /nfs/dbraw/zinc/31/10/96/263311096.db2.gz MXLKAVFLEXPZFQ-HTQZYQBOSA-N 1 1 320.353 -1.283 20 0 DAADMO CC(C)C[C@H](CNC(=O)[C@H](CO)NC(N)=O)[NH+]1CCOCC1 ZINC000345544936 263311278 /nfs/dbraw/zinc/31/12/78/263311278.db2.gz ZKELFMXIJJBFBQ-NEPJUHHUSA-N 1 1 316.402 -1.121 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000343289295 263311621 /nfs/dbraw/zinc/31/16/21/263311621.db2.gz SHEXOJZMNRVDDS-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC(=O)N1CCNC(=O)C1 ZINC000189458994 263311789 /nfs/dbraw/zinc/31/17/89/263311789.db2.gz WXXJCYURGJVZRM-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000363003537 263312907 /nfs/dbraw/zinc/31/29/07/263312907.db2.gz MLBKHOYXVGFCCB-VHSXEESVSA-N 1 1 324.337 -1.614 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073638951 263313808 /nfs/dbraw/zinc/31/38/08/263313808.db2.gz QPEZKRKTTKCONQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000361428811 263314032 /nfs/dbraw/zinc/31/40/32/263314032.db2.gz ZRRSZTKGRZZPCQ-OAHLLOKOSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H](CO)C(N)=O)n2C ZINC000341729937 263315998 /nfs/dbraw/zinc/31/59/98/263315998.db2.gz MXKVRVIKLAXRHK-QMMMGPOBSA-N 1 1 306.326 -1.390 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000420151807 263316053 /nfs/dbraw/zinc/31/60/53/263316053.db2.gz OBPPOBGWNPZUKH-UHFFFAOYSA-N 1 1 304.297 -1.566 20 0 DAADMO CC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000330874227 263316158 /nfs/dbraw/zinc/31/61/58/263316158.db2.gz IGIIFZCYWBJVFH-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000330570387 263316517 /nfs/dbraw/zinc/31/65/17/263316517.db2.gz CRFMWKZVPXXOGS-LLVKDONJSA-N 1 1 313.354 -1.713 20 0 DAADMO CS(=O)(=O)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000407950474 263316642 /nfs/dbraw/zinc/31/66/42/263316642.db2.gz HWCFCRHJIUEYDH-UHFFFAOYSA-N 1 1 318.399 -1.104 20 0 DAADMO CS(=O)(=O)N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000407950474 263316643 /nfs/dbraw/zinc/31/66/43/263316643.db2.gz HWCFCRHJIUEYDH-UHFFFAOYSA-N 1 1 318.399 -1.104 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000174831124 263316695 /nfs/dbraw/zinc/31/66/95/263316695.db2.gz AZUULBBUFKUGLL-RYUDHWBXSA-N 1 1 320.459 -1.076 20 0 DAADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H](CO)NC(N)=O ZINC000331354724 263317300 /nfs/dbraw/zinc/31/73/00/263317300.db2.gz ZZXMHJUVIBYYJH-JTQLQIEISA-N 1 1 302.375 -1.001 20 0 DAADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H](CO)NC(N)=O ZINC000331354724 263317301 /nfs/dbraw/zinc/31/73/01/263317301.db2.gz ZZXMHJUVIBYYJH-JTQLQIEISA-N 1 1 302.375 -1.001 20 0 DAADMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424178173 263317743 /nfs/dbraw/zinc/31/77/43/263317743.db2.gz WCSDWEQKBAXNHH-MNOVXSKESA-N 1 1 305.400 -1.097 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414042154 263318649 /nfs/dbraw/zinc/31/86/49/263318649.db2.gz NZHNCTCCHZXQKF-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO CC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@@H+]1C[C@@H](C)O ZINC000331250753 263318721 /nfs/dbraw/zinc/31/87/21/263318721.db2.gz SKSVKKNJWRSWLT-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CC[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[N@H+]1C[C@@H](C)O ZINC000331250753 263318722 /nfs/dbraw/zinc/31/87/22/263318722.db2.gz SKSVKKNJWRSWLT-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000180499584 263319355 /nfs/dbraw/zinc/31/93/55/263319355.db2.gz DXQMJYYOSHPWNE-LLVKDONJSA-N 1 1 304.416 -1.616 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000356970205 263319455 /nfs/dbraw/zinc/31/94/55/263319455.db2.gz ZSICUDPRHOFPLM-WDEREUQCSA-N 1 1 313.354 -1.680 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419352000 263319646 /nfs/dbraw/zinc/31/96/46/263319646.db2.gz IGRLPCFVIDQCAN-NEPJUHHUSA-N 1 1 300.403 -1.124 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331642332 263319783 /nfs/dbraw/zinc/31/97/83/263319783.db2.gz IUWCHYHTEBRLNW-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331642332 263319785 /nfs/dbraw/zinc/31/97/85/263319785.db2.gz IUWCHYHTEBRLNW-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1=O ZINC000367997887 263324182 /nfs/dbraw/zinc/32/41/82/263324182.db2.gz ODRZPUWMQBYLQE-MRVPVSSYSA-N 1 1 302.281 -1.388 20 0 DAADMO C[C@@H](NC(=O)CN1CCC[N@H+]([C@@H](C)CO)CC1)C(=O)N(C)C ZINC000346659576 263324293 /nfs/dbraw/zinc/32/42/93/263324293.db2.gz UUNLCEPJJKCXNA-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331199923 263324349 /nfs/dbraw/zinc/32/43/49/263324349.db2.gz WEZDDFIERHTTAB-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000419721353 263325019 /nfs/dbraw/zinc/32/50/19/263325019.db2.gz GWYTZNLYINARAY-CYBMUJFWSA-N 1 1 312.414 -1.101 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000353251793 263326050 /nfs/dbraw/zinc/32/60/50/263326050.db2.gz GUJAVHRHZKYGEJ-LLVKDONJSA-N 1 1 323.415 -1.483 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CS(=O)(=O)NC)[C@H]2C1 ZINC000332694901 263326707 /nfs/dbraw/zinc/32/67/07/263326707.db2.gz LGYCJCAWSOBNRH-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001194508866 782039077 /nfs/dbraw/zinc/03/90/77/782039077.db2.gz UZBYWSZYBNKKRX-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCCC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001194493291 782039445 /nfs/dbraw/zinc/03/94/45/782039445.db2.gz FIXJHRSJUDMBFI-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO COCCn1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1=O ZINC001194504089 782039622 /nfs/dbraw/zinc/03/96/22/782039622.db2.gz IAJXXXCDEHNJSC-WOPDTQHZSA-N 1 1 322.369 -2.373 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194545744 782040290 /nfs/dbraw/zinc/04/02/90/782040290.db2.gz OLERVDWEWRMODM-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001194545744 782040303 /nfs/dbraw/zinc/04/03/03/782040303.db2.gz OLERVDWEWRMODM-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO COCCn1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1=O ZINC001194504086 782040633 /nfs/dbraw/zinc/04/06/33/782040633.db2.gz IAJXXXCDEHNJSC-GRYCIOLGSA-N 1 1 322.369 -2.373 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(CC3CC3)c2=O)[C@@H]2NCN[C@H]21 ZINC001194604557 782042037 /nfs/dbraw/zinc/04/20/37/782042037.db2.gz OERMHHVXWBCEAR-XQQFMLRXSA-N 1 1 318.381 -1.609 20 0 DAADMO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001194703044 782042173 /nfs/dbraw/zinc/04/21/73/782042173.db2.gz QOHPQGOGUKGADG-LLVKDONJSA-N 1 1 308.342 -1.041 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(CC3CC3)c2=O)[C@H]2NCN[C@@H]21 ZINC001194604543 782042909 /nfs/dbraw/zinc/04/29/09/782042909.db2.gz OERMHHVXWBCEAR-JHJVBQTASA-N 1 1 318.381 -1.609 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC001194761068 782047237 /nfs/dbraw/zinc/04/72/37/782047237.db2.gz AEIWLRLPRHMOEG-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721646 782044158 /nfs/dbraw/zinc/04/41/58/782044158.db2.gz XCXDRRBDSFWUDM-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001194778594 782045135 /nfs/dbraw/zinc/04/51/35/782045135.db2.gz SVOPFICSQGZEMH-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001194778594 782045143 /nfs/dbraw/zinc/04/51/43/782045143.db2.gz SVOPFICSQGZEMH-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC001194802952 782046470 /nfs/dbraw/zinc/04/64/70/782046470.db2.gz UOZUGCYYXSXTFF-UHFFFAOYSA-N 1 1 312.374 -1.786 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194841012 782047761 /nfs/dbraw/zinc/04/77/61/782047761.db2.gz WPIQNPWKRQULDW-NQBHXWOUSA-N 1 1 324.381 -1.284 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194840981 782048560 /nfs/dbraw/zinc/04/85/60/782048560.db2.gz VRMAAOLZFIHDNJ-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000340469057 277225841 /nfs/dbraw/zinc/22/58/41/277225841.db2.gz YGZXISGSKPDGGH-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001194952968 782050777 /nfs/dbraw/zinc/05/07/77/782050777.db2.gz XEYMYNZJZQWZNS-VXGBXAGGSA-N 1 1 309.370 -1.457 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194936837 782051271 /nfs/dbraw/zinc/05/12/71/782051271.db2.gz YBPIHEFYQZTXLN-GFCCVEGCSA-N 1 1 324.381 -1.196 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194936837 782051279 /nfs/dbraw/zinc/05/12/79/782051279.db2.gz YBPIHEFYQZTXLN-GFCCVEGCSA-N 1 1 324.381 -1.196 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(COC)CCOC2)C1 ZINC001195012889 782051456 /nfs/dbraw/zinc/05/14/56/782051456.db2.gz SPVACCQCXVEMRK-BZPMIXESSA-N 1 1 302.371 -1.153 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC(C)(C)O ZINC000177728494 279240004 /nfs/dbraw/zinc/24/00/04/279240004.db2.gz GSVCKCDQIBHSQE-MRVPVSSYSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CC(C)(C)O ZINC000177728494 279240006 /nfs/dbraw/zinc/24/00/06/279240006.db2.gz GSVCKCDQIBHSQE-MRVPVSSYSA-N 1 1 312.370 -1.060 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc(Cl)c2Cl)[C@H]2NCN[C@H]21 ZINC001195035139 782052777 /nfs/dbraw/zinc/05/27/77/782052777.db2.gz XTUIFKLTUBBRNX-NBEYISGCSA-N 1 1 318.168 -1.084 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001194997553 782052930 /nfs/dbraw/zinc/05/29/30/782052930.db2.gz SIBPLIPFQCTSJW-GHMZBOCLSA-N 1 1 320.415 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001195011269 782053040 /nfs/dbraw/zinc/05/30/40/782053040.db2.gz GHYPYLNSTFMJLE-IWSPIJDZSA-N 1 1 310.376 -3.418 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001194996385 782053635 /nfs/dbraw/zinc/05/36/35/782053635.db2.gz BMUFZDMXKYAFHQ-GHMZBOCLSA-N 1 1 322.431 -1.752 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc(Cl)c2Cl)[C@@H]2NCN[C@@H]21 ZINC001195035140 782053413 /nfs/dbraw/zinc/05/34/13/782053413.db2.gz XTUIFKLTUBBRNX-VDAHYXPESA-N 1 1 318.168 -1.084 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc(Cl)c2Cl)[C@@H]2NCN[C@H]21 ZINC001195035141 782053779 /nfs/dbraw/zinc/05/37/79/782053779.db2.gz XTUIFKLTUBBRNX-ZQARSLAVSA-N 1 1 318.168 -1.084 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001194998027 782054253 /nfs/dbraw/zinc/05/42/53/782054253.db2.gz XGLHGTKVTUUXMK-NXEZZACHSA-N 1 1 308.404 -2.143 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001195072801 782055731 /nfs/dbraw/zinc/05/57/31/782055731.db2.gz JYGSYQIZUWJHGU-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001195072801 782055740 /nfs/dbraw/zinc/05/57/40/782055740.db2.gz JYGSYQIZUWJHGU-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195148719 782056562 /nfs/dbraw/zinc/05/65/62/782056562.db2.gz AJHJGEDCRJLEEN-CHWSQXEVSA-N 1 1 312.370 -1.557 20 0 DAADMO CCC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195247178 782057097 /nfs/dbraw/zinc/05/70/97/782057097.db2.gz SJZANZCNBMJUNI-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO CCC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195247178 782057106 /nfs/dbraw/zinc/05/71/06/782057106.db2.gz SJZANZCNBMJUNI-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001195172908 782057470 /nfs/dbraw/zinc/05/74/70/782057470.db2.gz XEXXIBSFFCJJRA-GMTAPVOTSA-N 1 1 301.387 -1.309 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195172908 782057480 /nfs/dbraw/zinc/05/74/80/782057480.db2.gz XEXXIBSFFCJJRA-GMTAPVOTSA-N 1 1 301.387 -1.309 20 0 DAADMO COc1nccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1Cl ZINC001195199052 782058249 /nfs/dbraw/zinc/05/82/49/782058249.db2.gz ZDZHDDOXKBXOQS-GUBZILKMSA-N 1 1 312.761 -1.124 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195237078 782058465 /nfs/dbraw/zinc/05/84/65/782058465.db2.gz GOQCZGROHZOOFE-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001195263132 782059743 /nfs/dbraw/zinc/05/97/43/782059743.db2.gz RYXYEPJEXBBJRK-QJPTWQEYSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001195263132 782059752 /nfs/dbraw/zinc/05/97/52/782059752.db2.gz RYXYEPJEXBBJRK-QJPTWQEYSA-N 1 1 309.370 -1.444 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001195413771 782065471 /nfs/dbraw/zinc/06/54/71/782065471.db2.gz YMUKZIGVNDQEEX-WISYIIOYSA-N 1 1 315.370 -2.224 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365515 782064291 /nfs/dbraw/zinc/06/42/91/782064291.db2.gz GDHHPEVLPLONGQ-IWSPIJDZSA-N 1 1 300.319 -3.008 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365515 782064301 /nfs/dbraw/zinc/06/43/01/782064301.db2.gz GDHHPEVLPLONGQ-IWSPIJDZSA-N 1 1 300.319 -3.008 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195365602 782064409 /nfs/dbraw/zinc/06/44/09/782064409.db2.gz HJHRPNNUXREWJW-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001195472639 782068650 /nfs/dbraw/zinc/06/86/50/782068650.db2.gz CRUHBBDQRMSNBS-NQMVMOMDSA-N 1 1 317.367 -1.369 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(=O)n(C)c1=O ZINC001195549828 782070363 /nfs/dbraw/zinc/07/03/63/782070363.db2.gz DFFICVWQILKIOO-CIUDSAMLSA-N 1 1 309.330 -3.783 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1csc(=O)[nH]1 ZINC001195473208 782069644 /nfs/dbraw/zinc/06/96/44/782069644.db2.gz KWULAYGOQNTJIG-PSASIEDQSA-N 1 1 317.367 -1.368 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1csc(=O)[nH]1 ZINC001195473208 782069652 /nfs/dbraw/zinc/06/96/52/782069652.db2.gz KWULAYGOQNTJIG-PSASIEDQSA-N 1 1 317.367 -1.368 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195570967 782072854 /nfs/dbraw/zinc/07/28/54/782072854.db2.gz SVIANDSORGDMQT-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCNC(=O)CC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001195570967 782072863 /nfs/dbraw/zinc/07/28/63/782072863.db2.gz SVIANDSORGDMQT-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195633638 782073462 /nfs/dbraw/zinc/07/34/62/782073462.db2.gz VYQLSVZKIYGQHA-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)CC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001195633638 782073469 /nfs/dbraw/zinc/07/34/69/782073469.db2.gz VYQLSVZKIYGQHA-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)c(CO)c(F)c2)[C@H]2NCN[C@H]21 ZINC001195638341 782073815 /nfs/dbraw/zinc/07/38/15/782073815.db2.gz ZFLDGDLFGURNRW-QJPTWQEYSA-N 1 1 313.308 -1.410 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195654311 782074794 /nfs/dbraw/zinc/07/47/94/782074794.db2.gz QUOFLRQMOSOUHT-CHWSQXEVSA-N 1 1 312.370 -1.003 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195648411 782074972 /nfs/dbraw/zinc/07/49/72/782074972.db2.gz UIARNOJCHWWWIG-CHWSQXEVSA-N 1 1 312.370 -1.003 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001195690735 782075074 /nfs/dbraw/zinc/07/50/74/782075074.db2.gz DSRKTHLBNOAQSW-GMTAPVOTSA-N 1 1 302.350 -1.031 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001195747578 782081445 /nfs/dbraw/zinc/08/14/45/782081445.db2.gz YDHJXVWZNBPLOO-GHMZBOCLSA-N 1 1 305.400 -1.374 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783246 782081513 /nfs/dbraw/zinc/08/15/13/782081513.db2.gz FOBSICXQMHGAJI-GHMZBOCLSA-N 1 1 315.370 -1.924 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783246 782081525 /nfs/dbraw/zinc/08/15/25/782081525.db2.gz FOBSICXQMHGAJI-GHMZBOCLSA-N 1 1 315.370 -1.924 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747526 782081811 /nfs/dbraw/zinc/08/18/11/782081811.db2.gz WYWHUSGEGPSNIR-NXEZZACHSA-N 1 1 309.388 -2.137 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701914 782076341 /nfs/dbraw/zinc/07/63/41/782076341.db2.gz SYXKFLYFSKLWHQ-YNEHKIRRSA-N 1 1 303.403 -1.503 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195724851 782077339 /nfs/dbraw/zinc/07/73/39/782077339.db2.gz FBDZZIMWWVNSJX-GMTAPVOTSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001195724851 782077350 /nfs/dbraw/zinc/07/73/50/782077350.db2.gz FBDZZIMWWVNSJX-GMTAPVOTSA-N 1 1 303.359 -2.334 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001195718407 782078201 /nfs/dbraw/zinc/07/82/01/782078201.db2.gz XVTSBZQZHTWGPG-GMTAPVOTSA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001195716903 782079093 /nfs/dbraw/zinc/07/90/93/782079093.db2.gz DGDFNRKNZMAFRO-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001195716903 782079101 /nfs/dbraw/zinc/07/91/01/782079101.db2.gz DGDFNRKNZMAFRO-CHWSQXEVSA-N 1 1 307.350 -1.150 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001195854103 782084690 /nfs/dbraw/zinc/08/46/90/782084690.db2.gz VLPIALCKADCJQN-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC001195832962 782085098 /nfs/dbraw/zinc/08/50/98/782085098.db2.gz SZQQUGODIUXGOL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC001195832961 782086282 /nfs/dbraw/zinc/08/62/82/782086282.db2.gz SZQQUGODIUXGOL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCC(=O)N1 ZINC001195939811 782087176 /nfs/dbraw/zinc/08/71/76/782087176.db2.gz HKQXLQWKZGTZCO-GYSYKLTISA-N 1 1 315.370 -2.175 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCC(=O)N1 ZINC001195939811 782087185 /nfs/dbraw/zinc/08/71/85/782087185.db2.gz HKQXLQWKZGTZCO-GYSYKLTISA-N 1 1 315.370 -2.175 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001195876071 782087317 /nfs/dbraw/zinc/08/73/17/782087317.db2.gz GCDADQFRQLEQOR-FDYHWXHSSA-N 1 1 302.371 -1.418 20 0 DAADMO Cn1cccc1-c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)no1 ZINC001196008666 782088041 /nfs/dbraw/zinc/08/80/41/782088041.db2.gz FGKFIFDUDBNQJP-RWMBFGLXSA-N 1 1 317.353 -1.187 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981291 782088701 /nfs/dbraw/zinc/08/87/01/782088701.db2.gz SXODHOSFOBTYGD-REWJHTLYSA-N 1 1 317.430 -1.259 20 0 DAADMO CN(CC(=O)N1CCC[N@@H+](CCCO)CC1)S(C)(=O)=O ZINC001196053198 782090140 /nfs/dbraw/zinc/09/01/40/782090140.db2.gz VZEPFXHQJWXKNS-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196167642 782093456 /nfs/dbraw/zinc/09/34/56/782093456.db2.gz DXPDMAGJGZEQRW-YNEHKIRRSA-N 1 1 312.414 -1.374 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001196184942 782094056 /nfs/dbraw/zinc/09/40/56/782094056.db2.gz KSXFHHSGGYRWGD-UTINFBMNSA-N 1 1 321.324 -1.449 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001196184942 782094064 /nfs/dbraw/zinc/09/40/64/782094064.db2.gz KSXFHHSGGYRWGD-UTINFBMNSA-N 1 1 321.324 -1.449 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185204 782094532 /nfs/dbraw/zinc/09/45/32/782094532.db2.gz RHCUGJDJGLRQFR-YVECIDJPSA-N 1 1 313.398 -1.058 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196185204 782094541 /nfs/dbraw/zinc/09/45/41/782094541.db2.gz RHCUGJDJGLRQFR-YVECIDJPSA-N 1 1 313.398 -1.058 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN2CCOCC2=O)CC1 ZINC000557097760 331770165 /nfs/dbraw/zinc/77/01/65/331770165.db2.gz ABVSNEVYJKQKGX-UHFFFAOYSA-N 1 1 312.370 -1.875 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC(=O)N1CCNCC1 ZINC000580075677 332930074 /nfs/dbraw/zinc/93/00/74/332930074.db2.gz WXYJOLNBMYBAHA-ZDUSSCGKSA-N 1 1 313.402 -2.024 20 0 DAADMO CN(C(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569448091 332088468 /nfs/dbraw/zinc/08/84/68/332088468.db2.gz KYDVARSREJXTEG-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000569462036 332094178 /nfs/dbraw/zinc/09/41/78/332094178.db2.gz BWAIQDAPYWXELR-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000569550113 332135430 /nfs/dbraw/zinc/13/54/30/332135430.db2.gz SRUSSZSZCCAOOJ-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)NC)CC2)C1 ZINC000577641780 332304269 /nfs/dbraw/zinc/30/42/69/332304269.db2.gz UMFNIRFWVMZGSL-LLVKDONJSA-N 1 1 320.415 -1.685 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)NC)CC2)C1 ZINC000577641780 332304270 /nfs/dbraw/zinc/30/42/70/332304270.db2.gz UMFNIRFWVMZGSL-LLVKDONJSA-N 1 1 320.415 -1.685 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000577736590 332305852 /nfs/dbraw/zinc/30/58/52/332305852.db2.gz RYNMMSDZEDHLAF-PHIMTYICSA-N 1 1 304.416 -1.255 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000560390813 332336483 /nfs/dbraw/zinc/33/64/83/332336483.db2.gz VAYGBEOTFNAIDT-NSHDSACASA-N 1 1 317.411 -1.299 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000583379947 332374555 /nfs/dbraw/zinc/37/45/55/332374555.db2.gz ZROSJTDKISQLOQ-JTQLQIEISA-N 1 1 309.326 -1.514 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCn3nncc3C2)CC1 ZINC000583449460 332421821 /nfs/dbraw/zinc/42/18/21/332421821.db2.gz LMWYHCXDRYMKCC-UHFFFAOYSA-N 1 1 321.385 -1.033 20 0 DAADMO C[C@H](CNC(=O)C1(S(N)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000561259288 332431221 /nfs/dbraw/zinc/43/12/21/332431221.db2.gz ONDXNABPGQWPRH-SNVBAGLBSA-N 1 1 305.400 -1.108 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000408402938 332513251 /nfs/dbraw/zinc/51/32/51/332513251.db2.gz JTMWIPBPTYWQPD-LLVKDONJSA-N 1 1 305.400 -1.284 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1=O ZINC000563163300 333414533 /nfs/dbraw/zinc/41/45/33/333414533.db2.gz SXTFDQVITXBMQL-GFCCVEGCSA-N 1 1 300.290 -1.433 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001196227719 782095710 /nfs/dbraw/zinc/09/57/10/782095710.db2.gz ICGZLUWUSIAGIC-IJLUTSLNSA-N 1 1 312.370 -1.191 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000337029925 333436340 /nfs/dbraw/zinc/43/63/40/333436340.db2.gz CRHPENFIWAQSSS-JTNHKYCSSA-N 1 1 300.355 -1.005 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000563245200 333508230 /nfs/dbraw/zinc/50/82/30/333508230.db2.gz MCVITUIUCBQOEM-ZOWXZIJZSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000340906140 334396874 /nfs/dbraw/zinc/39/68/74/334396874.db2.gz AOTFELKETRGKQO-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(C)(C)O ZINC000333297478 336201300 /nfs/dbraw/zinc/20/13/00/336201300.db2.gz GWWVFCSBLJSISA-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1CC(C)(C)O ZINC000333364460 336202490 /nfs/dbraw/zinc/20/24/90/336202490.db2.gz UXIQQKZUHHSNFI-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000532757447 336269857 /nfs/dbraw/zinc/26/98/57/336269857.db2.gz WGSFMYDRYCQHLK-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000532757447 336269858 /nfs/dbraw/zinc/26/98/58/336269858.db2.gz WGSFMYDRYCQHLK-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C(N)=O ZINC001196684811 782108827 /nfs/dbraw/zinc/10/88/27/782108827.db2.gz ZVYPYFIQODRXMR-HBNTYKKESA-N 1 1 316.358 -3.090 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196338412 782101840 /nfs/dbraw/zinc/10/18/40/782101840.db2.gz HWAZMISLZIKTRV-YNEHKIRRSA-N 1 1 317.386 -1.929 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196338412 782101848 /nfs/dbraw/zinc/10/18/48/782101848.db2.gz HWAZMISLZIKTRV-YNEHKIRRSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001196325073 782101933 /nfs/dbraw/zinc/10/19/33/782101933.db2.gz JAITVCFKTWUFQV-UHFFFAOYSA-N 1 1 300.359 -2.235 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001196437435 782102683 /nfs/dbraw/zinc/10/26/83/782102683.db2.gz YIPJYANTMLRJPW-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001196437435 782102689 /nfs/dbraw/zinc/10/26/89/782102689.db2.gz YIPJYANTMLRJPW-CHWSQXEVSA-N 1 1 312.370 -1.224 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110480406 782102727 /nfs/dbraw/zinc/10/27/27/782102727.db2.gz GRAMWOSHMGRPOT-CHWFTXMASA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110480406 782102732 /nfs/dbraw/zinc/10/27/32/782102732.db2.gz GRAMWOSHMGRPOT-CHWFTXMASA-N 1 1 322.365 -1.351 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001196468228 782104142 /nfs/dbraw/zinc/10/41/42/782104142.db2.gz DUPMNIJLIQUXKK-YNEHKIRRSA-N 1 1 312.370 -1.640 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nccc2C)C1 ZINC001196468226 782104259 /nfs/dbraw/zinc/10/42/59/782104259.db2.gz DUPMNIJLIQUXKK-JHJVBQTASA-N 1 1 312.370 -1.640 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 ZINC001196507901 782104881 /nfs/dbraw/zinc/10/48/81/782104881.db2.gz UCTYDMJAOZRADX-UHFFFAOYSA-N 1 1 322.369 -1.079 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196468572 782104929 /nfs/dbraw/zinc/10/49/29/782104929.db2.gz KILCEDVFEDDHSJ-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196468572 782104936 /nfs/dbraw/zinc/10/49/36/782104936.db2.gz KILCEDVFEDDHSJ-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196421932 782105019 /nfs/dbraw/zinc/10/50/19/782105019.db2.gz RQQVJSZYHFOPDS-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001196429628 782105316 /nfs/dbraw/zinc/10/53/16/782105316.db2.gz OQEWYVFEORICRM-OPRDCNLKSA-N 1 1 311.379 -1.555 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196421931 782105336 /nfs/dbraw/zinc/10/53/36/782105336.db2.gz RQQVJSZYHFOPDS-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)n1 ZINC001196631883 782106050 /nfs/dbraw/zinc/10/60/50/782106050.db2.gz PUURGJFKNCSORE-RAIGVLPGSA-N 1 1 312.370 -1.315 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001196582059 782106515 /nfs/dbraw/zinc/10/65/15/782106515.db2.gz YRQHGRUIGHJGMU-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO O=C(Cc1cscn1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196700241 782107728 /nfs/dbraw/zinc/10/77/28/782107728.db2.gz BFSUYQBWOANHBU-VXGBXAGGSA-N 1 1 315.395 -1.144 20 0 DAADMO O=C(Cc1cscn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196700241 782107731 /nfs/dbraw/zinc/10/77/31/782107731.db2.gz BFSUYQBWOANHBU-VXGBXAGGSA-N 1 1 315.395 -1.144 20 0 DAADMO CCC[C@@H](C(=O)N1CCC[N@H+](CCO)CC1)S(N)(=O)=O ZINC001196649839 782107740 /nfs/dbraw/zinc/10/77/40/782107740.db2.gz ZRQKNKBZPLLUPG-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CCC[C@@H](C(=O)N1CCC[N@@H+](CCO)CC1)S(N)(=O)=O ZINC001196649839 782107743 /nfs/dbraw/zinc/10/77/43/782107743.db2.gz ZRQKNKBZPLLUPG-NSHDSACASA-N 1 1 307.416 -1.030 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C(N)=O ZINC001196700822 782108077 /nfs/dbraw/zinc/10/80/77/782108077.db2.gz KVOUNZPVYVIYBV-HBNTYKKESA-N 1 1 318.349 -2.113 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001196683003 782108145 /nfs/dbraw/zinc/10/81/45/782108145.db2.gz FQXKXSUJNMXVOR-HBNTYKKESA-N 1 1 300.359 -2.062 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 ZINC001196214735 782097505 /nfs/dbraw/zinc/09/75/05/782097505.db2.gz JOUYAUVBXIRHEW-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001196283996 782098450 /nfs/dbraw/zinc/09/84/50/782098450.db2.gz OBMWKWFNJXYRRF-KSTCHIGDSA-N 1 1 314.382 -1.276 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001196283996 782098456 /nfs/dbraw/zinc/09/84/56/782098456.db2.gz OBMWKWFNJXYRRF-KSTCHIGDSA-N 1 1 314.382 -1.276 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC001196655164 782109197 /nfs/dbraw/zinc/10/91/97/782109197.db2.gz BYNXTYHYMGUZHP-UHFFFAOYSA-N 1 1 304.416 -1.016 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196739558 782109861 /nfs/dbraw/zinc/10/98/61/782109861.db2.gz PUXMCDGNWHLVLX-RKDXNWHRSA-N 1 1 309.388 -2.532 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196739558 782109865 /nfs/dbraw/zinc/10/98/65/782109865.db2.gz PUXMCDGNWHLVLX-RKDXNWHRSA-N 1 1 309.388 -2.532 20 0 DAADMO C[NH2+][C@H](C(=O)NCCNC(=O)c1ccn[nH]1)c1cnn(C)c1 ZINC000583141567 337244946 /nfs/dbraw/zinc/24/49/46/337244946.db2.gz HPQKIOGVOZZCSR-NSHDSACASA-N 1 1 305.342 -1.050 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCn2cnnc2C1 ZINC000583195027 337265604 /nfs/dbraw/zinc/26/56/04/337265604.db2.gz ABDUWNVBJSKBJN-SNVBAGLBSA-N 1 1 304.354 -1.027 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000584477562 337347888 /nfs/dbraw/zinc/34/78/88/337347888.db2.gz LOUQLXDQASFURU-NWDGAFQWSA-N 1 1 308.448 -1.196 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[NH2+]CCO1)c1ncnc2[nH]cnc21 ZINC000584532187 337357254 /nfs/dbraw/zinc/35/72/54/337357254.db2.gz BLYQPVPDWIWMQJ-VIFPVBQESA-N 1 1 305.342 -1.106 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000584538815 337358992 /nfs/dbraw/zinc/35/89/92/337358992.db2.gz BTHAJIHHXSIQPH-UHFFFAOYSA-N 1 1 304.416 -1.063 20 0 DAADMO O=C([C@H]1COCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424022386 337730403 /nfs/dbraw/zinc/73/04/03/337730403.db2.gz DEFREODWESXJTL-LLVKDONJSA-N 1 1 319.383 -2.152 20 0 DAADMO O=C([C@@H]1CCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424029089 337730490 /nfs/dbraw/zinc/73/04/90/337730490.db2.gz OXGQVDVVYMMFSL-NSHDSACASA-N 1 1 303.384 -1.389 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196738989 782110873 /nfs/dbraw/zinc/11/08/73/782110873.db2.gz HELQYIMZCMQRGH-NXEZZACHSA-N 1 1 323.415 -2.142 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)CC2(O)CCC2)c(=O)n(C)c1=O ZINC000546093503 341153884 /nfs/dbraw/zinc/15/38/84/341153884.db2.gz HAPDGIAKDRNMLA-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)CC2(O)CCC2)c(=O)n(C)c1=O ZINC000546093503 341153885 /nfs/dbraw/zinc/15/38/85/341153885.db2.gz HAPDGIAKDRNMLA-UHFFFAOYSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(=O)n(C)c1=O ZINC000236087661 341177295 /nfs/dbraw/zinc/17/72/95/341177295.db2.gz BDKYVQACEOKKNV-MRVPVSSYSA-N 1 1 318.355 -2.649 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000547734334 341229407 /nfs/dbraw/zinc/22/94/07/341229407.db2.gz ASDIVQDPGXNUNH-UHFFFAOYSA-N 1 1 306.326 -1.048 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2nnnn2CC2CC2)C1 ZINC000547780722 341232210 /nfs/dbraw/zinc/23/22/10/341232210.db2.gz VLLPXDYOPBGQFV-ZDUSSCGKSA-N 1 1 309.374 -1.051 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000550312035 341314853 /nfs/dbraw/zinc/31/48/53/341314853.db2.gz NKHZEQAJYXRTHP-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000550312036 341314912 /nfs/dbraw/zinc/31/49/12/341314912.db2.gz NKHZEQAJYXRTHP-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN2CCCNC2=O)CC1 ZINC000551883569 341354080 /nfs/dbraw/zinc/35/40/80/341354080.db2.gz CLUJNDYSOYNYDK-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551906654 341354724 /nfs/dbraw/zinc/35/47/24/341354724.db2.gz QADPNXZFJACBLQ-NSHDSACASA-N 1 1 317.415 -2.276 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN2CSCC2=O)CC1 ZINC000551970700 341356387 /nfs/dbraw/zinc/35/63/87/341356387.db2.gz OSZHTCQMCANEMJ-UHFFFAOYSA-N 1 1 314.411 -1.200 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)CCCC[NH+]1CCOCC1 ZINC000552014174 341360495 /nfs/dbraw/zinc/36/04/95/341360495.db2.gz REPWXPGXCKVGNA-UHFFFAOYSA-N 1 1 315.370 -1.106 20 0 DAADMO CN(CC(O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000552138633 341372678 /nfs/dbraw/zinc/37/26/78/341372678.db2.gz KVWNOPITZCKVNM-CHWSQXEVSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(CC(O)C[N@@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000552138635 341372775 /nfs/dbraw/zinc/37/27/75/341372775.db2.gz KVWNOPITZCKVNM-STQMWFEESA-N 1 1 312.414 -1.328 20 0 DAADMO C[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)NCC[NH+](C)C ZINC000565209883 341520156 /nfs/dbraw/zinc/52/01/56/341520156.db2.gz XKFPCNGSRDYYLP-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000567523381 341612224 /nfs/dbraw/zinc/61/22/24/341612224.db2.gz YEXPKJJADBDATN-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000567523379 341612299 /nfs/dbraw/zinc/61/22/99/341612299.db2.gz YEXPKJJADBDATN-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000576218761 341833995 /nfs/dbraw/zinc/83/39/95/341833995.db2.gz PAZIYBCEHCOMGO-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000580626943 341888976 /nfs/dbraw/zinc/88/89/76/341888976.db2.gz QHSPWNKOSXCYQN-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(NC1CC1)C(=O)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000577454531 341910471 /nfs/dbraw/zinc/91/04/71/341910471.db2.gz ISOGXBHYVMZJTN-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001196773275 782111690 /nfs/dbraw/zinc/11/16/90/782111690.db2.gz NNGKFZARSJALQH-MXWKQRLJSA-N 1 1 307.416 -1.259 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001196753203 782112637 /nfs/dbraw/zinc/11/26/37/782112637.db2.gz LSJUJNKBMYJKDQ-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001196753203 782112641 /nfs/dbraw/zinc/11/26/41/782112641.db2.gz LSJUJNKBMYJKDQ-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001196918772 782114597 /nfs/dbraw/zinc/11/45/97/782114597.db2.gz GPYUGLZHJXYQLJ-IJLUTSLNSA-N 1 1 311.382 -1.290 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001196925770 782114694 /nfs/dbraw/zinc/11/46/94/782114694.db2.gz OQBOQIZZBHZLAV-VXGBXAGGSA-N 1 1 309.370 -1.382 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114311332 782114745 /nfs/dbraw/zinc/11/47/45/782114745.db2.gz LNCLTXHTPLDYSG-WYUUTHIRSA-N 1 1 319.427 -1.257 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001196891832 782114817 /nfs/dbraw/zinc/11/48/17/782114817.db2.gz HDLKTGSGOCQONI-VXGBXAGGSA-N 1 1 321.381 -1.429 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001196891832 782114820 /nfs/dbraw/zinc/11/48/20/782114820.db2.gz HDLKTGSGOCQONI-VXGBXAGGSA-N 1 1 321.381 -1.429 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)NC(N)=O)C2 ZINC001110486298 782113528 /nfs/dbraw/zinc/11/35/28/782113528.db2.gz DYLGCJHKZWXGKQ-MJDLHHQISA-N 1 1 314.386 -1.228 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]2O)CC1 ZINC001196911516 782116394 /nfs/dbraw/zinc/11/63/94/782116394.db2.gz LKFBCXALEWNELV-QJPTWQEYSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196976566 782115665 /nfs/dbraw/zinc/11/56/65/782115665.db2.gz AADLSGFXRSUWMS-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196976566 782115672 /nfs/dbraw/zinc/11/56/72/782115672.db2.gz AADLSGFXRSUWMS-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196954447 782117168 /nfs/dbraw/zinc/11/71/68/782117168.db2.gz XZOUTYJVFVRUJF-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 ZINC001197091999 782123722 /nfs/dbraw/zinc/12/37/22/782123722.db2.gz XXMJXDGOZJZFNV-VXGBXAGGSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 ZINC001197091999 782123729 /nfs/dbraw/zinc/12/37/29/782123729.db2.gz XXMJXDGOZJZFNV-VXGBXAGGSA-N 1 1 310.354 -1.086 20 0 DAADMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197038663 782124131 /nfs/dbraw/zinc/12/41/31/782124131.db2.gz YNRDEHQNXGBPKF-AWEZNQCLSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@H+](CCO)CC1 ZINC001197038663 782124135 /nfs/dbraw/zinc/12/41/35/782124135.db2.gz YNRDEHQNXGBPKF-AWEZNQCLSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197038663 782124139 /nfs/dbraw/zinc/12/41/39/782124139.db2.gz YNRDEHQNXGBPKF-AWEZNQCLSA-N 1 1 323.397 -1.017 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001197091217 782124155 /nfs/dbraw/zinc/12/41/55/782124155.db2.gz RZKWNNPDDQPETE-GHMZBOCLSA-N 1 1 300.315 -1.493 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001197091217 782124160 /nfs/dbraw/zinc/12/41/60/782124160.db2.gz RZKWNNPDDQPETE-GHMZBOCLSA-N 1 1 300.315 -1.493 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001197160937 782126077 /nfs/dbraw/zinc/12/60/77/782126077.db2.gz ITCHLBSSWACCFB-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001197160937 782126082 /nfs/dbraw/zinc/12/60/82/782126082.db2.gz ITCHLBSSWACCFB-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001197181658 782125600 /nfs/dbraw/zinc/12/56/00/782125600.db2.gz MZNGKHVYGSPWBT-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001197160771 782125821 /nfs/dbraw/zinc/12/58/21/782125821.db2.gz GBYGNGHMJIHHDE-JHJVBQTASA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001197172845 782127577 /nfs/dbraw/zinc/12/75/77/782127577.db2.gz VMAVWSXCGGHERH-JHJVBQTASA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197172997 782127612 /nfs/dbraw/zinc/12/76/12/782127612.db2.gz WDVSQNBBMITSFE-GMTAPVOTSA-N 1 1 300.338 -1.027 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCOC1 ZINC001197171235 782127704 /nfs/dbraw/zinc/12/77/04/782127704.db2.gz FQHCKCPYIJKOCW-YRGRVCCFSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCOC1 ZINC001197171235 782127710 /nfs/dbraw/zinc/12/77/10/782127710.db2.gz FQHCKCPYIJKOCW-YRGRVCCFSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197172998 782127875 /nfs/dbraw/zinc/12/78/75/782127875.db2.gz WDVSQNBBMITSFE-HBNTYKKESA-N 1 1 300.338 -1.027 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197359453 782130347 /nfs/dbraw/zinc/13/03/47/782130347.db2.gz SQMWTJADRUQAQU-VXGBXAGGSA-N 1 1 309.370 -1.097 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197291334 782131559 /nfs/dbraw/zinc/13/15/59/782131559.db2.gz AHVXLWASLBFBCW-UHFFFAOYSA-N 1 1 322.431 -1.701 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001197381710 782131350 /nfs/dbraw/zinc/13/13/50/782131350.db2.gz HPGUMZDSXCAQQW-VXGBXAGGSA-N 1 1 309.370 -1.097 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001197381960 782132082 /nfs/dbraw/zinc/13/20/82/782132082.db2.gz PRTFJSRXZNRTRB-HBNTYKKESA-N 1 1 313.358 -2.126 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197368064 782132617 /nfs/dbraw/zinc/13/26/17/782132617.db2.gz VCCPVLODRRIZBP-GHMZBOCLSA-N 1 1 313.358 -2.125 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001197388221 782132639 /nfs/dbraw/zinc/13/26/39/782132639.db2.gz BQRVWTXOZLLOJE-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001197388221 782132644 /nfs/dbraw/zinc/13/26/44/782132644.db2.gz BQRVWTXOZLLOJE-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493243 782133721 /nfs/dbraw/zinc/13/37/21/782133721.db2.gz HLQRJNUCWQKTFI-GRYCIOLGSA-N 1 1 300.403 -1.247 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001197493459 782134172 /nfs/dbraw/zinc/13/41/72/782134172.db2.gz OCPZIDNTAHVONB-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001197493459 782134178 /nfs/dbraw/zinc/13/41/78/782134178.db2.gz OCPZIDNTAHVONB-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001197528492 782135120 /nfs/dbraw/zinc/13/51/20/782135120.db2.gz LRABSXODAANBPK-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001197528488 782135171 /nfs/dbraw/zinc/13/51/71/782135171.db2.gz LLTBMOXPIYSPCD-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001197643723 782136081 /nfs/dbraw/zinc/13/60/81/782136081.db2.gz BWRSCTQUAWNZAG-VXGBXAGGSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001197643723 782136075 /nfs/dbraw/zinc/13/60/75/782136075.db2.gz BWRSCTQUAWNZAG-VXGBXAGGSA-N 1 1 309.370 -1.065 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(CC(F)(F)F)c2)[C@H]2NCN[C@@H]21 ZINC001197568792 782136277 /nfs/dbraw/zinc/13/62/77/782136277.db2.gz GCMPQBWCLRSZTN-IWSPIJDZSA-N 1 1 319.291 -1.422 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1F ZINC001197667599 782138092 /nfs/dbraw/zinc/13/80/92/782138092.db2.gz XHZLRZJDFCMVJV-WOPDTQHZSA-N 1 1 323.328 -1.255 20 0 DAADMO COCCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197656671 782138438 /nfs/dbraw/zinc/13/84/38/782138438.db2.gz BBNKTIWIDFHYLZ-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO COCCOc1cccnc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001197697434 782138848 /nfs/dbraw/zinc/13/88/48/782138848.db2.gz TXJWGTBGHCMNAN-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197667218 782139284 /nfs/dbraw/zinc/13/92/84/782139284.db2.gz QCVGTKHLCWTQAH-IJLUTSLNSA-N 1 1 317.386 -1.799 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197896069 782141634 /nfs/dbraw/zinc/14/16/34/782141634.db2.gz KNSSOPFMZRAYJP-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197889293 782141726 /nfs/dbraw/zinc/14/17/26/782141726.db2.gz MIIQXGIHAOPGBN-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3ncccn3)c2)[C@@H]2NCN[C@@H]21 ZINC001197842098 782141749 /nfs/dbraw/zinc/14/17/49/782141749.db2.gz FLZSAMXULKZNCU-MXWKQRLJSA-N 1 1 315.341 -2.205 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC1 ZINC001197752216 782140257 /nfs/dbraw/zinc/14/02/57/782140257.db2.gz JOLYJLLTTZPKEZ-NFAWXSAZSA-N 1 1 313.398 -1.165 20 0 DAADMO CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825782 782142572 /nfs/dbraw/zinc/14/25/72/782142572.db2.gz IJCNBYMZHHNHPN-YNEHKIRRSA-N 1 1 303.403 -1.239 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197889747 782142585 /nfs/dbraw/zinc/14/25/85/782142585.db2.gz QFSPNIWNXJWGNG-QJPTWQEYSA-N 1 1 301.387 -1.165 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 ZINC001197935254 782143593 /nfs/dbraw/zinc/14/35/93/782143593.db2.gz ONWSMPUYPNIJGP-JHJVBQTASA-N 1 1 301.387 -1.045 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001197997020 782146113 /nfs/dbraw/zinc/14/61/13/782146113.db2.gz RVRLLMLMBHBYNA-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC001198075007 782146504 /nfs/dbraw/zinc/14/65/04/782146504.db2.gz BBTOCEIDLXHZET-MRVWCRGKSA-N 1 1 321.377 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001198020234 782146835 /nfs/dbraw/zinc/14/68/35/782146835.db2.gz JTIHDTUFUCRBDN-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001198020218 782148002 /nfs/dbraw/zinc/14/80/02/782148002.db2.gz JBWUVKRZJJKQMG-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046809 782147436 /nfs/dbraw/zinc/14/74/36/782147436.db2.gz FMVXVNRKSSUAPV-JHJVBQTASA-N 1 1 314.430 -1.034 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@H]1O ZINC001198020889 782147468 /nfs/dbraw/zinc/14/74/68/782147468.db2.gz RDONNPKKLGHRDM-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198076290 782147664 /nfs/dbraw/zinc/14/76/64/782147664.db2.gz VJIKQZINVRZLQM-CHWSQXEVSA-N 1 1 307.350 -1.430 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)C ZINC001115148983 782150035 /nfs/dbraw/zinc/15/00/35/782150035.db2.gz ZEVVXENNGNDZLH-WVWOOGAGSA-N 1 1 310.398 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)C ZINC001115148983 782150043 /nfs/dbraw/zinc/15/00/43/782150043.db2.gz ZEVVXENNGNDZLH-WVWOOGAGSA-N 1 1 310.398 -1.061 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001198065238 782149082 /nfs/dbraw/zinc/14/90/82/782149082.db2.gz NUYLLLJLBLHADJ-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001198065238 782149087 /nfs/dbraw/zinc/14/90/87/782149087.db2.gz NUYLLLJLBLHADJ-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@]1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCS(=O)(=O)N1 ZINC001198179955 782150910 /nfs/dbraw/zinc/15/09/10/782150910.db2.gz RZPPLPCWPBOROB-FOGDFJRCSA-N 1 1 321.399 -2.388 20 0 DAADMO COCCn1nc(C)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001198101782 782150233 /nfs/dbraw/zinc/15/02/33/782150233.db2.gz REEKZUVVDGGCCU-SRVKXCTJSA-N 1 1 309.374 -2.029 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1COC(=O)N1 ZINC001110506113 782153083 /nfs/dbraw/zinc/15/30/83/782153083.db2.gz HCODRNXPMDCEDS-WYUUTHIRSA-N 1 1 313.354 -1.175 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198247834 782154097 /nfs/dbraw/zinc/15/40/97/782154097.db2.gz CUGOKNOQZCMODA-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001198372683 782154231 /nfs/dbraw/zinc/15/42/31/782154231.db2.gz HCVPDTUMRBISEI-NSHDSACASA-N 1 1 324.381 -1.019 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001198372683 782154237 /nfs/dbraw/zinc/15/42/37/782154237.db2.gz HCVPDTUMRBISEI-NSHDSACASA-N 1 1 324.381 -1.019 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC001198326495 782154371 /nfs/dbraw/zinc/15/43/71/782154371.db2.gz GKMUKOIVFZFSDI-DTWKUNHWSA-N 1 1 304.372 -1.463 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001198372682 782153167 /nfs/dbraw/zinc/15/31/67/782153167.db2.gz HCVPDTUMRBISEI-LLVKDONJSA-N 1 1 324.381 -1.019 20 0 DAADMO NC(=O)CCCC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001198372682 782153171 /nfs/dbraw/zinc/15/31/71/782153171.db2.gz HCVPDTUMRBISEI-LLVKDONJSA-N 1 1 324.381 -1.019 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccco2)C1 ZINC001198353010 782154861 /nfs/dbraw/zinc/15/48/61/782154861.db2.gz NKFURUXNBHQSAI-GHMZBOCLSA-N 1 1 311.338 -1.183 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001198501074 782156267 /nfs/dbraw/zinc/15/62/67/782156267.db2.gz TUUGLWMMYWZZRH-GMTAPVOTSA-N 1 1 310.354 -1.454 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001198489253 782156214 /nfs/dbraw/zinc/15/62/14/782156214.db2.gz BYFSKUCDGXRAAG-QJPTWQEYSA-N 1 1 314.386 -1.367 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001198501355 782156637 /nfs/dbraw/zinc/15/66/37/782156637.db2.gz YJEBXLGNELEMIS-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001198501308 782156738 /nfs/dbraw/zinc/15/67/38/782156738.db2.gz WJUPUVFOHODOGG-OPRDCNLKSA-N 1 1 316.333 -1.505 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001198586606 782157336 /nfs/dbraw/zinc/15/73/36/782157336.db2.gz COSHWCRJNWKQJL-HBNTYKKESA-N 1 1 301.387 -1.309 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198508473 782158547 /nfs/dbraw/zinc/15/85/47/782158547.db2.gz UWAZFZGEVOKHKH-GMTAPVOTSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198564560 782158624 /nfs/dbraw/zinc/15/86/24/782158624.db2.gz GGZWUYVVMCZCPQ-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccccn3c2=O)[C@H]2NCN[C@H]21 ZINC001198550211 782158684 /nfs/dbraw/zinc/15/86/84/782158684.db2.gz VWLNBCNGEGCMGF-QJPTWQEYSA-N 1 1 315.337 -2.173 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654254 782159084 /nfs/dbraw/zinc/15/90/84/782159084.db2.gz QNTCOWRKKJTISK-YNEHKIRRSA-N 1 1 312.414 -1.374 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654218 782159142 /nfs/dbraw/zinc/15/91/42/782159142.db2.gz PKHAVYJMIKLRAF-YNEHKIRRSA-N 1 1 312.414 -1.422 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001198671682 782159947 /nfs/dbraw/zinc/15/99/47/782159947.db2.gz IWFFPFHNKVYUOI-JHJVBQTASA-N 1 1 301.387 -1.749 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@H]2O)C1 ZINC001198654259 782160095 /nfs/dbraw/zinc/16/00/95/782160095.db2.gz QTPFLSCZCIQZEJ-MGPQQGTHSA-N 1 1 324.425 -1.374 20 0 DAADMO COCCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198653019 782160521 /nfs/dbraw/zinc/16/05/21/782160521.db2.gz FAUHHCZARXUGDJ-MGPQQGTHSA-N 1 1 315.414 -1.238 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198671242 782160580 /nfs/dbraw/zinc/16/05/80/782160580.db2.gz DBQMGWXVHOWKCW-YNEHKIRRSA-N 1 1 312.370 -1.640 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198652762 782160649 /nfs/dbraw/zinc/16/06/49/782160649.db2.gz BGNCEEWBIHDBBN-JHJVBQTASA-N 1 1 312.414 -1.376 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1O ZINC001198707181 782161667 /nfs/dbraw/zinc/16/16/67/782161667.db2.gz MLIYWKIAQBZJHG-ZLKJLUDKSA-N 1 1 324.381 -1.179 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001198707181 782161672 /nfs/dbraw/zinc/16/16/72/782161672.db2.gz MLIYWKIAQBZJHG-ZLKJLUDKSA-N 1 1 324.381 -1.179 20 0 DAADMO CCN1CC[NH+](CCC(=O)NCC(=O)NCCOC)CC1 ZINC000338040936 521677739 /nfs/dbraw/zinc/67/77/39/521677739.db2.gz PMJCQPNQBPDGPP-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000338030739 521679486 /nfs/dbraw/zinc/67/94/86/521679486.db2.gz XTPVNRJIMFEOND-LLVKDONJSA-N 1 1 306.432 -1.322 20 0 DAADMO CCOCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000339453108 521709818 /nfs/dbraw/zinc/70/98/18/521709818.db2.gz OHWHXMRSZKSWMX-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336815338 522189299 /nfs/dbraw/zinc/18/92/99/522189299.db2.gz HPNHVMARXUECSB-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)Cn2ccc(=O)n(C)c2=O)n1C ZINC000265092237 522343553 /nfs/dbraw/zinc/34/35/53/522343553.db2.gz CTPLBBBMFSZKAP-UHFFFAOYSA-N 1 1 320.353 -1.337 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336857072 522744721 /nfs/dbraw/zinc/74/47/21/522744721.db2.gz QBHSQKNJQRFAAX-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO CN(CCCO)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353101760 522776327 /nfs/dbraw/zinc/77/63/27/522776327.db2.gz KTVDCZDWUUBXAN-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336842038 522789204 /nfs/dbraw/zinc/78/92/04/522789204.db2.gz QPUJKKOJHDTEIL-CYBMUJFWSA-N 1 1 323.459 -1.107 20 0 DAADMO C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336829323 522821328 /nfs/dbraw/zinc/82/13/28/522821328.db2.gz CMDJUGSCWRRZIK-VIFPVBQESA-N 1 1 304.372 -1.496 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336829323 522821340 /nfs/dbraw/zinc/82/13/40/522821340.db2.gz CMDJUGSCWRRZIK-VIFPVBQESA-N 1 1 304.372 -1.496 20 0 DAADMO C[N@H+](CCO)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000339145084 522881516 /nfs/dbraw/zinc/88/15/16/522881516.db2.gz JGOLQYRPXMSRTD-UHFFFAOYSA-N 1 1 315.395 -1.083 20 0 DAADMO C[N@@H+](CCO)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000339145084 522881522 /nfs/dbraw/zinc/88/15/22/522881522.db2.gz JGOLQYRPXMSRTD-UHFFFAOYSA-N 1 1 315.395 -1.083 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1)C1CC1 ZINC000336849188 523013953 /nfs/dbraw/zinc/01/39/53/523013953.db2.gz QKGLFIPFHNRYGL-DGCLKSJQSA-N 1 1 320.459 -1.053 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1O ZINC001198761146 782162993 /nfs/dbraw/zinc/16/29/93/782162993.db2.gz DNQXNVYROAEXDL-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000339312139 523589226 /nfs/dbraw/zinc/58/92/26/523589226.db2.gz ZRKIJUJINKLXAX-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCOCC2)CC1 ZINC000339314151 523870271 /nfs/dbraw/zinc/87/02/71/523870271.db2.gz HJNPVFATCBILIK-UHFFFAOYSA-N 1 1 312.370 -1.875 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cc(C(=O)OC)nn2)C1 ZINC000267052386 523870742 /nfs/dbraw/zinc/87/07/42/523870742.db2.gz WCXJRVXNLXJMPF-JTQLQIEISA-N 1 1 311.342 -1.098 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC000264699485 523888786 /nfs/dbraw/zinc/88/87/86/523888786.db2.gz CXDUGEDUYUBVQO-GFCCVEGCSA-N 1 1 318.381 -1.142 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000339266703 523979385 /nfs/dbraw/zinc/97/93/85/523979385.db2.gz YPUALAPVUFDRBP-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CSCC(N)=O)CC1 ZINC000339266506 523980168 /nfs/dbraw/zinc/98/01/68/523980168.db2.gz WQMDOUNXZQQCLJ-UHFFFAOYSA-N 1 1 316.427 -1.173 20 0 DAADMO C[C@H](CNC(=O)NCCS(N)(=O)=O)C[NH+]1CCOCC1 ZINC000337061040 524413759 /nfs/dbraw/zinc/41/37/59/524413759.db2.gz XLEXRYQCZVHWEF-SNVBAGLBSA-N 1 1 308.404 -1.458 20 0 DAADMO C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)S(N)(=O)=O ZINC000337035384 524420408 /nfs/dbraw/zinc/42/04/08/524420408.db2.gz IJBDPMYTASEFPJ-MRVPVSSYSA-N 1 1 318.403 -1.038 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCC1=O ZINC001198835070 782163399 /nfs/dbraw/zinc/16/33/99/782163399.db2.gz MMPHNMAFPLLLGS-FRRDWIJNSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)S(N)(=O)=O ZINC000337035385 524684748 /nfs/dbraw/zinc/68/47/48/524684748.db2.gz IJBDPMYTASEFPJ-QMMMGPOBSA-N 1 1 318.403 -1.038 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339496195 524797689 /nfs/dbraw/zinc/79/76/89/524797689.db2.gz RAFOPLAGLCASIA-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO O=C(CCNC(=O)c1cnccn1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198826054 782163520 /nfs/dbraw/zinc/16/35/20/782163520.db2.gz HPQSPYQAJKMWDL-VXGBXAGGSA-N 1 1 323.353 -2.250 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)CCNS(=O)(=O)c1cnn(C)c1 ZINC000336841918 525745808 /nfs/dbraw/zinc/74/58/08/525745808.db2.gz SOTJHOSPOXMSNQ-JTQLQIEISA-N 1 1 306.388 -1.627 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000246807362 525757228 /nfs/dbraw/zinc/75/72/28/525757228.db2.gz RTNSRNXHEBABTH-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198810074 782164051 /nfs/dbraw/zinc/16/40/51/782164051.db2.gz MOXBENRJNPJFJT-JHJVBQTASA-N 1 1 304.387 -1.171 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198810074 782164055 /nfs/dbraw/zinc/16/40/55/782164055.db2.gz MOXBENRJNPJFJT-JHJVBQTASA-N 1 1 304.387 -1.171 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001198761752 782164103 /nfs/dbraw/zinc/16/41/03/782164103.db2.gz MIHWHEBPFUEGBN-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001198905074 782164573 /nfs/dbraw/zinc/16/45/73/782164573.db2.gz VWXAPKACYJHVQG-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(=O)n(CC3CC3)c2)[C@@H]2NCN[C@H]21 ZINC001198920758 782164841 /nfs/dbraw/zinc/16/48/41/782164841.db2.gz CIUBJZCXCOICOS-MJBXVCDLSA-N 1 1 318.381 -1.609 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1COCCO1 ZINC000339494620 527670038 /nfs/dbraw/zinc/67/00/38/527670038.db2.gz SVCCURKOCHVHOL-LBPRGKRZSA-N 1 1 315.370 -1.644 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001198970738 782167067 /nfs/dbraw/zinc/16/70/67/782167067.db2.gz VNLPIZYRTFVOFI-CYZMBNFOSA-N 1 1 322.365 -1.647 20 0 DAADMO COCCOc1cncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001199000495 782167052 /nfs/dbraw/zinc/16/70/52/782167052.db2.gz RYMQIIPKHWZJMX-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO NC(=O)c1cccc(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC001199029332 782167952 /nfs/dbraw/zinc/16/79/52/782167952.db2.gz GHZYZSBIAZXLKV-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)c1cccc(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC001199029332 782167954 /nfs/dbraw/zinc/16/79/54/782167954.db2.gz GHZYZSBIAZXLKV-CHWSQXEVSA-N 1 1 323.349 -1.682 20 0 DAADMO COCCOc1cncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001199000493 782168071 /nfs/dbraw/zinc/16/80/71/782168071.db2.gz RYMQIIPKHWZJMX-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO CC[C@@H](C)[N@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000287570079 535556079 /nfs/dbraw/zinc/55/60/79/535556079.db2.gz XJHNIMWFFJKJCG-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO CC[C@@H](C)[N@@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000287570079 535556084 /nfs/dbraw/zinc/55/60/84/535556084.db2.gz XJHNIMWFFJKJCG-SECBINFHSA-N 1 1 312.370 -1.058 20 0 DAADMO COCCN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340234638 536754902 /nfs/dbraw/zinc/75/49/02/536754902.db2.gz BIPMNRJXJHURLD-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000340569599 536780153 /nfs/dbraw/zinc/78/01/53/536780153.db2.gz CKSWJTFJRWCZAJ-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCn2cnnc2C1 ZINC000340581841 536781112 /nfs/dbraw/zinc/78/11/12/536781112.db2.gz BUDPUQZUFZDLEQ-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001110526671 782168768 /nfs/dbraw/zinc/16/87/68/782168768.db2.gz SZWHAJRUQUEPSQ-WISYIIOYSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001110526671 782168783 /nfs/dbraw/zinc/16/87/83/782168783.db2.gz SZWHAJRUQUEPSQ-WISYIIOYSA-N 1 1 323.397 -1.085 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001199104315 782168889 /nfs/dbraw/zinc/16/88/89/782168889.db2.gz KCICXTLSHLOAJQ-CHWSQXEVSA-N 1 1 310.402 -1.183 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC(F)(F)C[NH3+] ZINC000653086194 545641323 /nfs/dbraw/zinc/64/13/23/545641323.db2.gz JVUPRFNMEFWZHP-MRVPVSSYSA-N 1 1 306.313 -1.176 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000120940118 545643431 /nfs/dbraw/zinc/64/34/31/545643431.db2.gz XSLFYXSLLZJWRX-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000668360305 545645341 /nfs/dbraw/zinc/64/53/41/545645341.db2.gz YPJCDILOYWWGOT-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CS(=O)(=O)CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662766566 545647023 /nfs/dbraw/zinc/64/70/23/545647023.db2.gz KIZNTZKTAZNFPS-LLVKDONJSA-N 1 1 317.411 -1.156 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668436454 545647354 /nfs/dbraw/zinc/64/73/54/545647354.db2.gz FOJXNWUVJNMDJC-FDYHWXHSSA-N 1 1 300.355 -1.764 20 0 DAADMO CS(=O)(=O)CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662766567 545647409 /nfs/dbraw/zinc/64/74/09/545647409.db2.gz KIZNTZKTAZNFPS-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658954239 545648575 /nfs/dbraw/zinc/64/85/75/545648575.db2.gz VASXPAUYRQFYKL-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658954239 545648578 /nfs/dbraw/zinc/64/85/78/545648578.db2.gz VASXPAUYRQFYKL-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCNCC2)CCO1 ZINC000662948259 545648801 /nfs/dbraw/zinc/64/88/01/545648801.db2.gz UZCAMMIXCJALPQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000672596328 545654249 /nfs/dbraw/zinc/65/42/49/545654249.db2.gz VWCGMISDEULFCE-CQSZACIVSA-N 1 1 323.441 -1.345 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000672596327 545654630 /nfs/dbraw/zinc/65/46/30/545654630.db2.gz VWCGMISDEULFCE-AWEZNQCLSA-N 1 1 323.441 -1.345 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000072814477 545656426 /nfs/dbraw/zinc/65/64/26/545656426.db2.gz UWQXPEZENWZCTR-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000072814477 545656432 /nfs/dbraw/zinc/65/64/32/545656432.db2.gz UWQXPEZENWZCTR-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000672004379 545656815 /nfs/dbraw/zinc/65/68/15/545656815.db2.gz BLGCQCUDLQJZRX-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000672004379 545656820 /nfs/dbraw/zinc/65/68/20/545656820.db2.gz BLGCQCUDLQJZRX-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC000668802925 545661884 /nfs/dbraw/zinc/66/18/84/545661884.db2.gz CCFBNECDMNHJDD-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n(CC(C)C)n1 ZINC001199094167 782168956 /nfs/dbraw/zinc/16/89/56/782168956.db2.gz PXNWLYNXUICGTA-RWMBFGLXSA-N 1 1 307.402 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC000668802926 545662221 /nfs/dbraw/zinc/66/22/21/545662221.db2.gz CCFBNECDMNHJDD-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668786881 545662233 /nfs/dbraw/zinc/66/22/33/545662233.db2.gz JKIBPHOMFHBWEK-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408005542 545665413 /nfs/dbraw/zinc/66/54/13/545665413.db2.gz RCFRQNXMTVNNMU-NEPJUHHUSA-N 1 1 318.443 -1.098 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000643058793 545669241 /nfs/dbraw/zinc/66/92/41/545669241.db2.gz LBNPSOXRQVQWSI-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO CN(C)C(=O)COC1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408033565 545669501 /nfs/dbraw/zinc/66/95/01/545669501.db2.gz NVHNEZPKEWGJPA-ZDUSSCGKSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408046704 545676828 /nfs/dbraw/zinc/67/68/28/545676828.db2.gz XTZBBMHCTWEIHE-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644632518 545676930 /nfs/dbraw/zinc/67/69/30/545676930.db2.gz XWRWXXIBNAXJKR-LBPRGKRZSA-N 1 1 308.448 -1.137 20 0 DAADMO CC(C)NS(=O)(=O)NCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000644632518 545676935 /nfs/dbraw/zinc/67/69/35/545676935.db2.gz XWRWXXIBNAXJKR-LBPRGKRZSA-N 1 1 308.448 -1.137 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644714274 545677355 /nfs/dbraw/zinc/67/73/55/545677355.db2.gz QQXTWJNOFAVBHR-WDNDVIMCSA-N 1 1 324.425 -1.611 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CC[NH+](CCO)CC1 ZINC000651083472 545677927 /nfs/dbraw/zinc/67/79/27/545677927.db2.gz AYRWQDVHMFSDSR-UHFFFAOYSA-N 1 1 309.370 -1.482 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000602902502 545681461 /nfs/dbraw/zinc/68/14/61/545681461.db2.gz CLAZTKGIYBGNKW-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000602902502 545681470 /nfs/dbraw/zinc/68/14/70/545681470.db2.gz CLAZTKGIYBGNKW-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@H](CO)C1 ZINC000602902564 545681611 /nfs/dbraw/zinc/68/16/11/545681611.db2.gz DCTYZNJZBYJDNM-QMMMGPOBSA-N 1 1 312.292 -1.017 20 0 DAADMO C[N@H+]1CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@H](CO)C1 ZINC000602902564 545681618 /nfs/dbraw/zinc/68/16/18/545681618.db2.gz DCTYZNJZBYJDNM-QMMMGPOBSA-N 1 1 312.292 -1.017 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000674499147 545681715 /nfs/dbraw/zinc/68/17/15/545681715.db2.gz XIINKSIYSSWILB-BETUJISGSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000674499147 545681723 /nfs/dbraw/zinc/68/17/23/545681723.db2.gz XIINKSIYSSWILB-BETUJISGSA-N 1 1 321.381 -1.447 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@H+](C)C[C@@H]1CO)C(C)C ZINC000602906073 545682082 /nfs/dbraw/zinc/68/20/82/545682082.db2.gz PRVKTMRIIFFOHZ-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@@H+](C)C[C@@H]1CO)C(C)C ZINC000602906073 545682089 /nfs/dbraw/zinc/68/20/89/545682089.db2.gz PRVKTMRIIFFOHZ-YPMHNXCESA-N 1 1 301.387 -1.092 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC000602970082 545683670 /nfs/dbraw/zinc/68/36/70/545683670.db2.gz RJFSOHFAEMFRNO-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000408320063 545685673 /nfs/dbraw/zinc/68/56/73/545685673.db2.gz JPMFIUOGOWICHI-GARJFASQSA-N 1 1 307.416 -1.162 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C[C@@H]21 ZINC000671815964 545688607 /nfs/dbraw/zinc/68/86/07/545688607.db2.gz AIKDCVQXNPAXOY-KWCYVHTRSA-N 1 1 322.409 -1.119 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1COCCO1 ZINC000342674139 545694058 /nfs/dbraw/zinc/69/40/58/545694058.db2.gz WVDXHWIXTUCAKS-LLVKDONJSA-N 1 1 317.411 -1.317 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000343082977 545695488 /nfs/dbraw/zinc/69/54/88/545695488.db2.gz GBDLZGCAQJRZNZ-JHJVBQTASA-N 1 1 312.414 -1.171 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000647970162 545698017 /nfs/dbraw/zinc/69/80/17/545698017.db2.gz FTAZOVYNRKNHHN-OLZOCXBDSA-N 1 1 323.459 -1.061 20 0 DAADMO C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000331126418 545700130 /nfs/dbraw/zinc/70/01/30/545700130.db2.gz BSOUWYIZAHNUAU-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000331126418 545700139 /nfs/dbraw/zinc/70/01/39/545700139.db2.gz BSOUWYIZAHNUAU-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000331150975 545701019 /nfs/dbraw/zinc/70/10/19/545701019.db2.gz BRDKGJUNSUBIOM-JTQLQIEISA-N 1 1 308.404 -1.734 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000331150975 545701022 /nfs/dbraw/zinc/70/10/22/545701022.db2.gz BRDKGJUNSUBIOM-JTQLQIEISA-N 1 1 308.404 -1.734 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCn3ncnc3C2)C1 ZINC000343894814 545708040 /nfs/dbraw/zinc/70/80/40/545708040.db2.gz SQDMKVMSWYLZQO-NSHDSACASA-N 1 1 322.369 -1.543 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000343884475 545708388 /nfs/dbraw/zinc/70/83/88/545708388.db2.gz GTYVOPQCVRRKKA-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000343849550 545708790 /nfs/dbraw/zinc/70/87/90/545708790.db2.gz YPQORERVFBFKNV-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000343891695 545708857 /nfs/dbraw/zinc/70/88/57/545708857.db2.gz NYFGCNKLDONMMC-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H]1OCC[NH2+][C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000343849553 545709299 /nfs/dbraw/zinc/70/92/99/545709299.db2.gz YPQORERVFBFKNV-ZYHUDNBSSA-N 1 1 324.381 -1.687 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347288716 545714460 /nfs/dbraw/zinc/71/44/60/545714460.db2.gz KQXDKSLKRFXQSO-TXEJJXNPSA-N 1 1 310.416 -1.240 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000347425412 545716946 /nfs/dbraw/zinc/71/69/46/545716946.db2.gz HYTPMJXTBSYKLB-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000151724657 545723155 /nfs/dbraw/zinc/72/31/55/545723155.db2.gz LZJYDCDSYWDASE-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CO)C2)C[N@H+]1C1CC1 ZINC000331392533 545724354 /nfs/dbraw/zinc/72/43/54/545724354.db2.gz MSGLUOOZJLUZRK-MDZLAQPJSA-N 1 1 311.382 -1.053 20 0 DAADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000331644226 545726903 /nfs/dbraw/zinc/72/69/03/545726903.db2.gz JCZCUGUPBWMQAF-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000331801958 545727185 /nfs/dbraw/zinc/72/71/85/545727185.db2.gz MAKCYWDYXLJLFE-XQQFMLRXSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000332018545 545729753 /nfs/dbraw/zinc/72/97/53/545729753.db2.gz QJVOMYXBJQQAGK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000332149187 545731991 /nfs/dbraw/zinc/73/19/91/545731991.db2.gz NHQKHKSUJRQCIK-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000332149194 545732182 /nfs/dbraw/zinc/73/21/82/545732182.db2.gz NHQKHKSUJRQCIK-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000332182801 545732371 /nfs/dbraw/zinc/73/23/71/545732371.db2.gz XBQAEGVOKKLAME-GFCCVEGCSA-N 1 1 319.427 -1.113 20 0 DAADMO C[NH+]1CCN([C@H](C(=O)N[C@H](CO)C(N)=O)c2ccccc2)CC1 ZINC000353003172 545736634 /nfs/dbraw/zinc/73/66/34/545736634.db2.gz KQZHKJJKRFKSPX-KGLIPLIRSA-N 1 1 320.393 -1.063 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CO)C1)C[NH+]1CCOCC1 ZINC000357984996 545738957 /nfs/dbraw/zinc/73/89/57/545738957.db2.gz BILYZQKFWFMJKE-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000358076096 545739813 /nfs/dbraw/zinc/73/98/13/545739813.db2.gz URRJDJZMXQYGDW-GXTWGEPZSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000358067146 545740093 /nfs/dbraw/zinc/74/00/93/545740093.db2.gz OZOKVTCBYMBNMY-CQSZACIVSA-N 1 1 305.338 -1.321 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358049436 545740114 /nfs/dbraw/zinc/74/01/14/545740114.db2.gz OMGVNFXGVAWYJG-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362649072 545743928 /nfs/dbraw/zinc/74/39/28/545743928.db2.gz LMMFTWBMQSBZML-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO CN1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1=O ZINC000362755743 545744400 /nfs/dbraw/zinc/74/44/00/545744400.db2.gz ALALLRYZNUCTLY-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362649073 545744778 /nfs/dbraw/zinc/74/47/78/545744778.db2.gz LMMFTWBMQSBZML-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO COCCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000362368935 545744916 /nfs/dbraw/zinc/74/49/16/545744916.db2.gz NWIMOWLURRFVHW-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)S(C)(=O)=O ZINC000362661953 545744976 /nfs/dbraw/zinc/74/49/76/545744976.db2.gz HEQYNYUJAOLBRV-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000368539636 545749078 /nfs/dbraw/zinc/74/90/78/545749078.db2.gz UEVBZUJLIZFSCU-LLVKDONJSA-N 1 1 322.369 -1.442 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)c1=O ZINC000367997888 545750040 /nfs/dbraw/zinc/75/00/40/545750040.db2.gz ODRZPUWMQBYLQE-QMMMGPOBSA-N 1 1 302.281 -1.388 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(=O)n(C)c1=O ZINC000377609623 545758875 /nfs/dbraw/zinc/75/88/75/545758875.db2.gz YEICKMBLZHXLLJ-QMMMGPOBSA-N 1 1 323.353 -1.954 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)c(=O)n(C)c1=O ZINC000377609623 545758880 /nfs/dbraw/zinc/75/88/80/545758880.db2.gz YEICKMBLZHXLLJ-QMMMGPOBSA-N 1 1 323.353 -1.954 20 0 DAADMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1C(=O)CCC1=O ZINC000520766235 545760683 /nfs/dbraw/zinc/76/06/83/545760683.db2.gz OSGJMYZUDBIFKG-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000131100224 545763709 /nfs/dbraw/zinc/76/37/09/545763709.db2.gz PQPCPPFNILOIGR-LBPRGKRZSA-N 1 1 300.403 -1.469 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419231350 545766432 /nfs/dbraw/zinc/76/64/32/545766432.db2.gz ZOMFYLXNTKSRNN-CYBMUJFWSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)CN1 ZINC000419779583 545768628 /nfs/dbraw/zinc/76/86/28/545768628.db2.gz PJOWHKREUAGUAM-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000424173845 545777562 /nfs/dbraw/zinc/77/75/62/545777562.db2.gz OSICRNSGKSVQHG-VWYCJHECSA-N 1 1 305.400 -1.097 20 0 DAADMO O=C(CC[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CCN(c2ncccn2)CC1 ZINC000444703189 545783372 /nfs/dbraw/zinc/78/33/72/545783372.db2.gz JNQCLWCTYRLDDG-BETUJISGSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000444702918 545783535 /nfs/dbraw/zinc/78/35/35/545783535.db2.gz JHZTVERNUKNEBZ-RYUDHWBXSA-N 1 1 323.349 -1.399 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000682092949 545791671 /nfs/dbraw/zinc/79/16/71/545791671.db2.gz GDJQVDIRPVRFQH-ZJUUUORDSA-N 1 1 300.359 -1.974 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682092949 545791675 /nfs/dbraw/zinc/79/16/75/545791675.db2.gz GDJQVDIRPVRFQH-ZJUUUORDSA-N 1 1 300.359 -1.974 20 0 DAADMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H]1COCCN1 ZINC000659358270 545792785 /nfs/dbraw/zinc/79/27/85/545792785.db2.gz HSQJPYTUZNCLHU-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[N@@H+]1CCO ZINC000490082445 545796347 /nfs/dbraw/zinc/79/63/47/545796347.db2.gz VCKWKMPXEHTEFO-VIFPVBQESA-N 1 1 322.369 -1.125 20 0 DAADMO C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC[N@H+]1CCO ZINC000490082445 545796354 /nfs/dbraw/zinc/79/63/54/545796354.db2.gz VCKWKMPXEHTEFO-VIFPVBQESA-N 1 1 322.369 -1.125 20 0 DAADMO COC[C@@H](C(N)=O)N(C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000549805113 545797509 /nfs/dbraw/zinc/79/75/09/545797509.db2.gz SJXPPHSZFCZTAO-RNJOBUHISA-N 1 1 303.403 -1.111 20 0 DAADMO COC[C@@H](C(N)=O)N(C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000549805113 545797516 /nfs/dbraw/zinc/79/75/16/545797516.db2.gz SJXPPHSZFCZTAO-RNJOBUHISA-N 1 1 303.403 -1.111 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321291 545801155 /nfs/dbraw/zinc/80/11/55/545801155.db2.gz SHJDLZWTVKLPKX-MJBXVCDLSA-N 1 1 324.425 -1.088 20 0 DAADMO CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000660189845 545804299 /nfs/dbraw/zinc/80/42/99/545804299.db2.gz PBWIIGAFAHEQJW-NWDGAFQWSA-N 1 1 308.382 -1.160 20 0 DAADMO O=C(C[NH+]1CCC(Cn2cnnc2)CC1)N1CCNC(=O)C1 ZINC000649788689 545805425 /nfs/dbraw/zinc/80/54/25/545805425.db2.gz CNNGJYQJWDLUBW-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000656019593 545810060 /nfs/dbraw/zinc/81/00/60/545810060.db2.gz HCGJACPQIWQMBF-RFQIPJPRSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@]1(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]C1 ZINC000656023726 545810806 /nfs/dbraw/zinc/81/08/06/545810806.db2.gz DGMXGUOOAGUMEE-ZENOOKHLSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025329 545811519 /nfs/dbraw/zinc/81/15/19/545811519.db2.gz HFZZPDAHOUCJCB-RVMXOQNASA-N 1 1 310.398 -1.622 20 0 DAADMO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025330 545812042 /nfs/dbraw/zinc/81/20/42/545812042.db2.gz HFZZPDAHOUCJCB-WUHRBBMRSA-N 1 1 310.398 -1.622 20 0 DAADMO COC[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656072526 545812718 /nfs/dbraw/zinc/81/27/18/545812718.db2.gz PUMCYAADIOQWHN-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656068986 545812773 /nfs/dbraw/zinc/81/27/73/545812773.db2.gz MPVOOGCXBMVMDQ-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(CCn1cccn1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656072461 545812923 /nfs/dbraw/zinc/81/29/23/545812923.db2.gz NTUHWHQLOMMZFN-QWHCGFSZSA-N 1 1 321.381 -1.381 20 0 DAADMO CCN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000656075118 545813801 /nfs/dbraw/zinc/81/38/01/545813801.db2.gz ATNFGLSYWKIFFY-NWDGAFQWSA-N 1 1 324.381 -2.046 20 0 DAADMO COC[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656072527 545813977 /nfs/dbraw/zinc/81/39/77/545813977.db2.gz PUMCYAADIOQWHN-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CC(C)N(C[C@H](C)O)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656071802 545814024 /nfs/dbraw/zinc/81/40/24/545814024.db2.gz USZQSDIOBRBCJW-RWMBFGLXSA-N 1 1 313.398 -1.118 20 0 DAADMO C[C@@]1(O)CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656075712 545814037 /nfs/dbraw/zinc/81/40/37/545814037.db2.gz STAGAMUHZOOMQU-YWPYICTPSA-N 1 1 311.382 -1.363 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656068137 545814046 /nfs/dbraw/zinc/81/40/46/545814046.db2.gz PNVOSKOVSYOLMR-OUAUKWLOSA-N 1 1 310.354 -2.389 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCc2c[nH]nc2C1 ZINC000656075541 545814076 /nfs/dbraw/zinc/81/40/76/545814076.db2.gz NLIRFFYOLYDRSS-NWDGAFQWSA-N 1 1 319.365 -1.428 20 0 DAADMO CN(CC1(CO)CC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656072087 545814098 /nfs/dbraw/zinc/81/40/98/545814098.db2.gz DPHVHSLUMVOENG-NWDGAFQWSA-N 1 1 311.382 -1.505 20 0 DAADMO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656064533 545814176 /nfs/dbraw/zinc/81/41/76/545814176.db2.gz XTGHTWPFGIPHIW-MROQNXINSA-N 1 1 311.382 -1.100 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1CO ZINC000656077270 545814659 /nfs/dbraw/zinc/81/46/59/545814659.db2.gz MSEFXMUUHDUVTH-XQHKEYJVSA-N 1 1 311.382 -1.507 20 0 DAADMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656085726 545814742 /nfs/dbraw/zinc/81/47/42/545814742.db2.gz MEJYREKPKJSWLV-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656085726 545814744 /nfs/dbraw/zinc/81/47/44/545814744.db2.gz MEJYREKPKJSWLV-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO CCCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000656105254 545814792 /nfs/dbraw/zinc/81/47/92/545814792.db2.gz ZWKHLGZTUCYCEQ-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081799 545815073 /nfs/dbraw/zinc/81/50/73/545815073.db2.gz KJUGVGVWZXXMAH-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC(=O)N1 ZINC000656090053 545815145 /nfs/dbraw/zinc/81/51/45/545815145.db2.gz XJMJUPPMBADCPJ-OUAUKWLOSA-N 1 1 310.354 -2.389 20 0 DAADMO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656078409 545815276 /nfs/dbraw/zinc/81/52/76/545815276.db2.gz BQSLQLXFYBHQQY-FIXISWKDSA-N 1 1 324.381 -2.012 20 0 DAADMO COC[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081800 545815719 /nfs/dbraw/zinc/81/57/19/545815719.db2.gz KJUGVGVWZXXMAH-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656101977 545816042 /nfs/dbraw/zinc/81/60/42/545816042.db2.gz AGAOUAMHVIAODQ-RWMBFGLXSA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104266 545816992 /nfs/dbraw/zinc/81/69/92/545816992.db2.gz MNACRJKFURLCIR-YIYPIFLZSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000656104002 545817095 /nfs/dbraw/zinc/81/70/95/545817095.db2.gz FMHKSBYTPLTJQD-MROQNXINSA-N 1 1 310.398 -1.527 20 0 DAADMO [NH3+]CC1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000656104036 545817369 /nfs/dbraw/zinc/81/73/69/545817369.db2.gz GEEAHJYZIOHJLN-QWHCGFSZSA-N 1 1 310.398 -1.539 20 0 DAADMO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656104288 545817483 /nfs/dbraw/zinc/81/74/83/545817483.db2.gz MXAOHZBFOIRBNV-QJPTWQEYSA-N 1 1 312.370 -2.550 20 0 DAADMO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656104289 545817594 /nfs/dbraw/zinc/81/75/94/545817594.db2.gz MXAOHZBFOIRBNV-TUAOUCFPSA-N 1 1 312.370 -2.550 20 0 DAADMO O=C(NCc1cccnc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656283381 545818006 /nfs/dbraw/zinc/81/80/06/545818006.db2.gz YREMHYXJYNAIQZ-QWHCGFSZSA-N 1 1 304.350 -1.025 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000354824056 545818164 /nfs/dbraw/zinc/81/81/64/545818164.db2.gz AFQPNIUGVOZFHN-RNJOBUHISA-N 1 1 301.387 -1.357 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000354824056 545818168 /nfs/dbraw/zinc/81/81/68/545818168.db2.gz AFQPNIUGVOZFHN-RNJOBUHISA-N 1 1 301.387 -1.357 20 0 DAADMO COCC1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000656314677 545819477 /nfs/dbraw/zinc/81/94/77/545819477.db2.gz BBTKVDOXPUAIQR-LBPRGKRZSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656320790 545820059 /nfs/dbraw/zinc/82/00/59/545820059.db2.gz UWLCYGBKGZMCCG-YNEHKIRRSA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)c(=O)n(C)c1=O ZINC000156586653 545820833 /nfs/dbraw/zinc/82/08/33/545820833.db2.gz WAXAXUMLQQJTBB-SECBINFHSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c(=O)n(C)c1=O ZINC000156586653 545820836 /nfs/dbraw/zinc/82/08/36/545820836.db2.gz WAXAXUMLQQJTBB-SECBINFHSA-N 1 1 310.354 -1.448 20 0 DAADMO O=C(NCCCn1cccn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656292733 545820967 /nfs/dbraw/zinc/82/09/67/545820967.db2.gz WJJWUTFXFADDLQ-QWHCGFSZSA-N 1 1 321.381 -1.333 20 0 DAADMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657123729 545822391 /nfs/dbraw/zinc/82/23/91/545822391.db2.gz KXLOMFLOZOTHIF-UHFFFAOYSA-N 1 1 316.383 -1.734 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000357375975 545823847 /nfs/dbraw/zinc/82/38/47/545823847.db2.gz NTCNDBGRDOLVDI-FDYHWXHSSA-N 1 1 321.443 -1.181 20 0 DAADMO C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000357375975 545823858 /nfs/dbraw/zinc/82/38/58/545823858.db2.gz NTCNDBGRDOLVDI-FDYHWXHSSA-N 1 1 321.443 -1.181 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674464615 545826278 /nfs/dbraw/zinc/82/62/78/545826278.db2.gz CINBFKBQWQZOHN-BETUJISGSA-N 1 1 311.382 -1.505 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674464615 545826284 /nfs/dbraw/zinc/82/62/84/545826284.db2.gz CINBFKBQWQZOHN-BETUJISGSA-N 1 1 311.382 -1.505 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398463 545830688 /nfs/dbraw/zinc/83/06/88/545830688.db2.gz NJMQYRYXVQRCTF-FRRDWIJNSA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000627398463 545830691 /nfs/dbraw/zinc/83/06/91/545830691.db2.gz NJMQYRYXVQRCTF-FRRDWIJNSA-N 1 1 310.398 -1.166 20 0 DAADMO COCCC1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000658798630 545836136 /nfs/dbraw/zinc/83/61/36/545836136.db2.gz WCYYUFVWZNRNAE-QWHCGFSZSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671552432 545838450 /nfs/dbraw/zinc/83/84/50/545838450.db2.gz LWUQGSPOFCQEDY-CQSZACIVSA-N 1 1 308.386 -1.511 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCN1CCC2 ZINC000662907717 545839652 /nfs/dbraw/zinc/83/96/52/545839652.db2.gz VZSGRANPXDBJOE-OLZOCXBDSA-N 1 1 309.414 -1.639 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CCN1CCC2 ZINC000662908134 545840042 /nfs/dbraw/zinc/84/00/42/545840042.db2.gz ZEEOJLPRUBJLEP-ZIAGYGMSSA-N 1 1 323.441 -1.249 20 0 DAADMO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CN2CCN1CCC2 ZINC000662907718 545840240 /nfs/dbraw/zinc/84/02/40/545840240.db2.gz VZSGRANPXDBJOE-QWHCGFSZSA-N 1 1 309.414 -1.639 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662929697 545842306 /nfs/dbraw/zinc/84/23/06/545842306.db2.gz FPUGETNPILHONA-VXGBXAGGSA-N 1 1 318.393 -1.079 20 0 DAADMO CN1CCN(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1=O ZINC000682011268 545849851 /nfs/dbraw/zinc/84/98/51/545849851.db2.gz UWICRQNOXHRPSB-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO Nc1ncnc2c1ncn2CCC(=O)N1CC[NH+](CCO)CC1 ZINC000666190556 545854306 /nfs/dbraw/zinc/85/43/06/545854306.db2.gz PXTLTENNJNSSTA-UHFFFAOYSA-N 1 1 319.369 -1.065 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000666921493 545857373 /nfs/dbraw/zinc/85/73/73/545857373.db2.gz WYNJBNWGHDAHPW-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000667993706 545860752 /nfs/dbraw/zinc/86/07/52/545860752.db2.gz IJQONLLIUUINGK-GFCCVEGCSA-N 1 1 300.359 -1.456 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671935071 545861780 /nfs/dbraw/zinc/86/17/80/545861780.db2.gz NURATCSCYNYRKS-GRYCIOLGSA-N 1 1 324.385 -1.382 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671935071 545861785 /nfs/dbraw/zinc/86/17/85/545861785.db2.gz NURATCSCYNYRKS-GRYCIOLGSA-N 1 1 324.385 -1.382 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCO1 ZINC000672310881 545862652 /nfs/dbraw/zinc/86/26/52/545862652.db2.gz LNNKXVJMOMICBU-NEPJUHHUSA-N 1 1 324.381 -1.700 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000672596405 545863507 /nfs/dbraw/zinc/86/35/07/545863507.db2.gz KJLKWBWCPOUOSH-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000672597232 545863996 /nfs/dbraw/zinc/86/39/96/545863996.db2.gz HDUGBBDWQBZFOK-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CC(C)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)NS(C)(=O)=O ZINC000677887200 545874842 /nfs/dbraw/zinc/87/48/42/545874842.db2.gz CJJFIEFSJPRTBS-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000677869515 545874975 /nfs/dbraw/zinc/87/49/75/545874975.db2.gz VXFHTRQFUNGQEI-GFCCVEGCSA-N 1 1 306.370 -1.043 20 0 DAADMO C[C@H](NC(=O)NCC(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000678949742 545879093 /nfs/dbraw/zinc/87/90/93/545879093.db2.gz KMIWTUUFCSFOKE-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](NC(=O)NCC(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000678949742 545879094 /nfs/dbraw/zinc/87/90/94/545879094.db2.gz KMIWTUUFCSFOKE-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000679762741 545881943 /nfs/dbraw/zinc/88/19/43/545881943.db2.gz HTLKMYPTZGAFRR-TUAOUCFPSA-N 1 1 314.386 -1.138 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000679762741 545881939 /nfs/dbraw/zinc/88/19/39/545881939.db2.gz HTLKMYPTZGAFRR-TUAOUCFPSA-N 1 1 314.386 -1.138 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000680831128 545883698 /nfs/dbraw/zinc/88/36/98/545883698.db2.gz LCYWNFOTQLWAPZ-ZDUSSCGKSA-N 1 1 310.358 -1.183 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1CCO ZINC000681750375 545886325 /nfs/dbraw/zinc/88/63/25/545886325.db2.gz YSGLLHBCVJSTPN-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CC1(C)CN(C(=O)CCNS(C)(=O)=O)CC[N@H+]1CCO ZINC000682008941 545886236 /nfs/dbraw/zinc/88/62/36/545886236.db2.gz LQQOYCBCZRGZAQ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000682203056 545886432 /nfs/dbraw/zinc/88/64/32/545886432.db2.gz QBAQGVKZIQVPAB-VHSXEESVSA-N 1 1 308.404 -1.446 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000682203056 545886437 /nfs/dbraw/zinc/88/64/37/545886437.db2.gz QBAQGVKZIQVPAB-VHSXEESVSA-N 1 1 308.404 -1.446 20 0 DAADMO CC1(C)CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC000682007530 545886897 /nfs/dbraw/zinc/88/68/97/545886897.db2.gz GAKCXNBBPDCNGW-UHFFFAOYSA-N 1 1 310.354 -1.136 20 0 DAADMO C[NH+]1CCN([C@H](C(=O)NC[C@@H](O)C(N)=O)c2ccccc2)CC1 ZINC000683916207 545890293 /nfs/dbraw/zinc/89/02/93/545890293.db2.gz TUUFTBVZZBUOHT-KGLIPLIRSA-N 1 1 320.393 -1.063 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000685340904 545893200 /nfs/dbraw/zinc/89/32/00/545893200.db2.gz LARYIRXKNKQKBS-GHMZBOCLSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685340904 545893204 /nfs/dbraw/zinc/89/32/04/545893204.db2.gz LARYIRXKNKQKBS-GHMZBOCLSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340912 545893249 /nfs/dbraw/zinc/89/32/49/545893249.db2.gz LARYIRXKNKQKBS-QWRGUYRKSA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340912 545893252 /nfs/dbraw/zinc/89/32/52/545893252.db2.gz LARYIRXKNKQKBS-QWRGUYRKSA-N 1 1 322.369 -1.544 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685337076 545893340 /nfs/dbraw/zinc/89/33/40/545893340.db2.gz ZJNFARLPIVLOFX-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685337076 545893342 /nfs/dbraw/zinc/89/33/42/545893342.db2.gz ZJNFARLPIVLOFX-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)CCOCCO)[C@@H]1C[N@H+](C)CCO1 ZINC000685338218 545893535 /nfs/dbraw/zinc/89/35/35/545893535.db2.gz MSZBQYRYEGAKQO-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)CCOCCO)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338218 545893538 /nfs/dbraw/zinc/89/35/38/545893538.db2.gz MSZBQYRYEGAKQO-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)CCOCCO)[C@H]1C[N@H+](C)CCO1 ZINC000685338221 545893588 /nfs/dbraw/zinc/89/35/88/545893588.db2.gz MSZBQYRYEGAKQO-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)CCOCCO)[C@H]1C[N@@H+](C)CCO1 ZINC000685338221 545893592 /nfs/dbraw/zinc/89/35/92/545893592.db2.gz MSZBQYRYEGAKQO-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000685338475 545893941 /nfs/dbraw/zinc/89/39/41/545893941.db2.gz RMRAVOGLBXJRMW-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338475 545893945 /nfs/dbraw/zinc/89/39/45/545893945.db2.gz RMRAVOGLBXJRMW-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199119858 782169218 /nfs/dbraw/zinc/16/92/18/782169218.db2.gz YTENVENAISPQOJ-CHWSQXEVSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001199103807 782169262 /nfs/dbraw/zinc/16/92/62/782169262.db2.gz CTSJDBGVBPJCJP-CHWSQXEVSA-N 1 1 312.414 -1.234 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001199104831 782169432 /nfs/dbraw/zinc/16/94/32/782169432.db2.gz VFOJBIFNOIJUBG-VXGBXAGGSA-N 1 1 310.402 -1.183 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OC3CCC3)cn2)[C@@H]2NCN[C@H]21 ZINC001199149841 782171321 /nfs/dbraw/zinc/17/13/21/782171321.db2.gz YBEKTQYMMUFTOJ-XQQFMLRXSA-N 1 1 319.369 -1.459 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001199145885 782171890 /nfs/dbraw/zinc/17/18/90/782171890.db2.gz MIEBGRGZGNCFAP-ZYHUDNBSSA-N 1 1 312.370 -1.465 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199136023 782172042 /nfs/dbraw/zinc/17/20/42/782172042.db2.gz LFDAVYXTYAHAAO-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199136023 782172047 /nfs/dbraw/zinc/17/20/47/782172047.db2.gz LFDAVYXTYAHAAO-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001199111669 782172075 /nfs/dbraw/zinc/17/20/75/782172075.db2.gz GRDIQOJTGWANTP-FRRDWIJNSA-N 1 1 312.414 -1.281 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001199195117 782173553 /nfs/dbraw/zinc/17/35/53/782173553.db2.gz MHXODIVIUKGNBR-VIFPVBQESA-N 1 1 309.374 -1.185 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001199323563 782175650 /nfs/dbraw/zinc/17/56/50/782175650.db2.gz GWXMOUMURSLBRR-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C(C)C ZINC001199262341 782174073 /nfs/dbraw/zinc/17/40/73/782174073.db2.gz ZOXFBHJEZAMDRQ-YRGRVCCFSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(C)C ZINC001199262341 782174077 /nfs/dbraw/zinc/17/40/77/782174077.db2.gz ZOXFBHJEZAMDRQ-YRGRVCCFSA-N 1 1 301.387 -1.309 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001199298887 782174167 /nfs/dbraw/zinc/17/41/67/782174167.db2.gz BZKRRNNXZIEYJA-IJLUTSLNSA-N 1 1 301.387 -1.165 20 0 DAADMO COc1cnc(Cl)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001199266388 782174430 /nfs/dbraw/zinc/17/44/30/782174430.db2.gz XHKUZHSZBNWWQC-DVVUODLYSA-N 1 1 312.761 -1.124 20 0 DAADMO COCCOc1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001199258639 782174845 /nfs/dbraw/zinc/17/48/45/782174845.db2.gz YBAQWFUOXJOQGZ-OUAUKWLOSA-N 1 1 323.357 -2.366 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(CC(F)(F)F)cn2)[C@H]2NCN[C@H]21 ZINC001199397162 782176579 /nfs/dbraw/zinc/17/65/79/782176579.db2.gz HVNSXYVBTYMEPZ-DJLDLDEBSA-N 1 1 319.291 -1.422 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cccnc2)[C@H]2NCN[C@H]21 ZINC001199434469 782177763 /nfs/dbraw/zinc/17/77/63/782177763.db2.gz BRYYGLCFRQSWRV-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001199429535 782178294 /nfs/dbraw/zinc/17/82/94/782178294.db2.gz MPMYYSWYAUFNDO-GHMZBOCLSA-N 1 1 310.358 -1.905 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001199429535 782178298 /nfs/dbraw/zinc/17/82/98/782178298.db2.gz MPMYYSWYAUFNDO-GHMZBOCLSA-N 1 1 310.358 -1.905 20 0 DAADMO CC(C)CNc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncn1 ZINC001199447731 782179377 /nfs/dbraw/zinc/17/93/77/782179377.db2.gz MAJVJQFJAJTCEW-FRRDWIJNSA-N 1 1 320.401 -1.323 20 0 DAADMO CC(C)CNc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncn1 ZINC001199447732 782179889 /nfs/dbraw/zinc/17/98/89/782179889.db2.gz MAJVJQFJAJTCEW-RWMBFGLXSA-N 1 1 320.401 -1.323 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C3CCC3)c2=O)[C@H]2NCN[C@H]21 ZINC001199489626 782179961 /nfs/dbraw/zinc/17/99/61/782179961.db2.gz IVIRXFDZHPJSER-YNEHKIRRSA-N 1 1 318.381 -1.294 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C3CCC3)c2=O)[C@@H]2NCN[C@H]21 ZINC001199489625 782180088 /nfs/dbraw/zinc/18/00/88/782180088.db2.gz IVIRXFDZHPJSER-XQQFMLRXSA-N 1 1 318.381 -1.294 20 0 DAADMO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199473908 782180113 /nfs/dbraw/zinc/18/01/13/782180113.db2.gz JUYPPCVZYFVLAN-VXGBXAGGSA-N 1 1 301.387 -1.308 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199523974 782180965 /nfs/dbraw/zinc/18/09/65/782180965.db2.gz QJXNTAWBATVQNO-QJPTWQEYSA-N 1 1 301.387 -1.322 20 0 DAADMO CC(C)n1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1=O ZINC001199496464 782181288 /nfs/dbraw/zinc/18/12/88/782181288.db2.gz BXEIXHLKEFUELF-AGIUHOORSA-N 1 1 306.370 -1.438 20 0 DAADMO CC(C)n1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1=O ZINC001199496467 782181349 /nfs/dbraw/zinc/18/13/49/782181349.db2.gz BXEIXHLKEFUELF-RWMBFGLXSA-N 1 1 306.370 -1.438 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199514606 782181372 /nfs/dbraw/zinc/18/13/72/782181372.db2.gz HEAHGOXUFQBXHX-RAIGVLPGSA-N 1 1 311.386 -1.056 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CNC(=O)C3CC3)CC2)n1 ZINC001199477898 782181621 /nfs/dbraw/zinc/18/16/21/782181621.db2.gz GQBGBDWKSVDWPT-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC3CCC3)ncn2)[C@H]2NCN[C@H]21 ZINC001199477293 782181651 /nfs/dbraw/zinc/18/16/51/782181651.db2.gz KUXCQWRTHIURFP-YNEHKIRRSA-N 1 1 319.369 -1.459 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199474980 782181718 /nfs/dbraw/zinc/18/17/18/782181718.db2.gz SCLAGKCQRPFLMQ-IJLUTSLNSA-N 1 1 315.370 -2.175 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1=O ZINC001199516088 782181979 /nfs/dbraw/zinc/18/19/79/782181979.db2.gz NJDUBPXUDHOVLF-FRRDWIJNSA-N 1 1 306.370 -1.438 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C(C)(C)C ZINC001199506961 782182013 /nfs/dbraw/zinc/18/20/13/782182013.db2.gz YZGNJYJNTGFVMK-IJLUTSLNSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C(C)(C)C ZINC001199506961 782182019 /nfs/dbraw/zinc/18/20/19/782182019.db2.gz YZGNJYJNTGFVMK-IJLUTSLNSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(C)n1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1=O ZINC001199496465 782182029 /nfs/dbraw/zinc/18/20/29/782182029.db2.gz BXEIXHLKEFUELF-AVGNSLFASA-N 1 1 306.370 -1.438 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H]2CCCO2)C1 ZINC001199474611 782182311 /nfs/dbraw/zinc/18/23/11/782182311.db2.gz QTYWACHWNYVLSX-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001199551594 782182817 /nfs/dbraw/zinc/18/28/17/782182817.db2.gz SWVSIYPBYURSGP-FRRDWIJNSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001199654815 782184640 /nfs/dbraw/zinc/18/46/40/782184640.db2.gz XXZOBEOKTYOKFP-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccc(OC3CCC3)n2)[C@@H]2NCN[C@H]21 ZINC001199635750 782183028 /nfs/dbraw/zinc/18/30/28/782183028.db2.gz ABRKBEHFMANKJO-LOWVWBTDSA-N 1 1 319.369 -1.459 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001199716228 782184821 /nfs/dbraw/zinc/18/48/21/782184821.db2.gz MDDASIGTMGCOPG-GFCCVEGCSA-N 1 1 324.385 -1.342 20 0 DAADMO COCCC(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001199654814 782184906 /nfs/dbraw/zinc/18/49/06/782184906.db2.gz XXZOBEOKTYOKFP-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000826391335 607689002 /nfs/dbraw/zinc/68/90/02/607689002.db2.gz GUCATEGHIPWYBN-UHFFFAOYSA-N 1 1 318.341 -1.126 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001056790222 678668561 /nfs/dbraw/zinc/66/85/61/678668561.db2.gz TYQBTTSLACFFST-VXGBXAGGSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H]1[NH+](C)C ZINC000820733543 607219833 /nfs/dbraw/zinc/21/98/33/607219833.db2.gz HAIBTVSSXYHPOW-RKDXNWHRSA-N 1 1 305.346 -1.133 20 0 DAADMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H]1CCNC1=O ZINC000825934742 608036963 /nfs/dbraw/zinc/03/69/63/608036963.db2.gz RGNHRTIIMNVNAU-MRVPVSSYSA-N 1 1 305.346 -1.075 20 0 DAADMO NC(=O)C[C@H](NC(=S)NCCC[NH+]1CCOCC1)C(N)=O ZINC001199959108 782188271 /nfs/dbraw/zinc/18/82/71/782188271.db2.gz RXQORAMNHVITGN-VIFPVBQESA-N 1 1 317.415 -2.098 20 0 DAADMO O=C1C[C@H](CNC(=S)NCCC[NH+]2CCOCC2)C(=O)N1 ZINC001199954109 782188774 /nfs/dbraw/zinc/18/87/74/782188774.db2.gz AXHZJANIFCCQMO-SNVBAGLBSA-N 1 1 314.411 -1.165 20 0 DAADMO O=C1CC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C(=O)N1 ZINC001199954580 782189180 /nfs/dbraw/zinc/18/91/80/782189180.db2.gz MUIKOCUBEIRYQF-SNVBAGLBSA-N 1 1 314.411 -1.022 20 0 DAADMO O=C1CO[C@H](CNC(=S)NCCC[NH+]2CCOCC2)CN1 ZINC001199956955 782189377 /nfs/dbraw/zinc/18/93/77/782189377.db2.gz QPHDSESRUXLXRQ-NSHDSACASA-N 1 1 316.427 -1.312 20 0 DAADMO CS(=O)(=O)CCN1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028650390 662682812 /nfs/dbraw/zinc/68/28/12/662682812.db2.gz ZICXMGMPVAANLV-SECBINFHSA-N 1 1 301.372 -1.099 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924986515 662692204 /nfs/dbraw/zinc/69/22/04/662692204.db2.gz IBSIKWPSHIYLAU-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000903600029 662790190 /nfs/dbraw/zinc/79/01/90/662790190.db2.gz GBZXHWZMOWUKCF-SNVBAGLBSA-N 1 1 314.429 -1.329 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000908036071 662799344 /nfs/dbraw/zinc/79/93/44/662799344.db2.gz BRHQJKYXSBZIHQ-PTFDWCFRSA-N 1 1 305.400 -1.362 20 0 DAADMO COCCN1C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)CC1=O ZINC000912609910 663153840 /nfs/dbraw/zinc/15/38/40/663153840.db2.gz RURPCQBGGPTRQJ-LBPRGKRZSA-N 1 1 301.387 -1.136 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547943 663158494 /nfs/dbraw/zinc/15/84/94/663158494.db2.gz ZJLBJPCQPVWPQZ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547943 663158496 /nfs/dbraw/zinc/15/84/96/663158496.db2.gz ZJLBJPCQPVWPQZ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000920521500 663306401 /nfs/dbraw/zinc/30/64/01/663306401.db2.gz TUSWMYBXJUKWIP-NXEZZACHSA-N 1 1 307.372 -2.561 20 0 DAADMO CCO[C@H](CNS(=O)(=O)CCS(C)(=O)=O)C[NH+](C)C ZINC000921636719 663521128 /nfs/dbraw/zinc/52/11/28/663521128.db2.gz QAFGBPNGTCNYQE-SNVBAGLBSA-N 1 1 316.445 -1.083 20 0 DAADMO CN1CC[C@](C)(C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922112169 663622042 /nfs/dbraw/zinc/62/20/42/663622042.db2.gz PXABNFVOBPJPDZ-CQSZACIVSA-N 1 1 301.387 -1.088 20 0 DAADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=S)NCC(N)=O)CC1 ZINC000747653047 663800136 /nfs/dbraw/zinc/80/01/36/663800136.db2.gz PHMOEIGKVALSAK-SECBINFHSA-N 1 1 302.400 -1.085 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748569742 663800531 /nfs/dbraw/zinc/80/05/31/663800531.db2.gz ZZAMIDLXHMAUIE-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748569742 663800533 /nfs/dbraw/zinc/80/05/33/663800533.db2.gz ZZAMIDLXHMAUIE-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931411627 663994186 /nfs/dbraw/zinc/99/41/86/663994186.db2.gz RPMWCUNXRZGIPS-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931411627 663994189 /nfs/dbraw/zinc/99/41/89/663994189.db2.gz RPMWCUNXRZGIPS-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(OC)(OC)[C@H](O)C1 ZINC000931632754 663994842 /nfs/dbraw/zinc/99/48/42/663994842.db2.gz ANMCZFKOXBFAGO-CHWSQXEVSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632754 663994843 /nfs/dbraw/zinc/99/48/43/663994843.db2.gz ANMCZFKOXBFAGO-CHWSQXEVSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632754 663994846 /nfs/dbraw/zinc/99/48/46/663994846.db2.gz ANMCZFKOXBFAGO-CHWSQXEVSA-N 1 1 306.403 -1.019 20 0 DAADMO CO[C@H](CS(=O)(=O)NCC[N@H+](C)CCO)[C@H]1CCOC1 ZINC000885800985 663969030 /nfs/dbraw/zinc/96/90/30/663969030.db2.gz IODNSVUURCITNV-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO CO[C@H](CS(=O)(=O)NCC[N@@H+](C)CCO)[C@H]1CCOC1 ZINC000885800985 663969033 /nfs/dbraw/zinc/96/90/33/663969033.db2.gz IODNSVUURCITNV-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236591 662305401 /nfs/dbraw/zinc/30/54/01/662305401.db2.gz BCRVSABVDHAHLB-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000949236591 662305404 /nfs/dbraw/zinc/30/54/04/662305404.db2.gz BCRVSABVDHAHLB-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC001020386706 662305491 /nfs/dbraw/zinc/30/54/91/662305491.db2.gz FESBLKUEYVRGAU-NHCYSSNCSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC001020386706 662305492 /nfs/dbraw/zinc/30/54/92/662305492.db2.gz FESBLKUEYVRGAU-NHCYSSNCSA-N 1 1 322.369 -1.146 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242911 662305822 /nfs/dbraw/zinc/30/58/22/662305822.db2.gz HEVKTKKWMQPLKK-ONGXEEELSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000949242911 662305824 /nfs/dbraw/zinc/30/58/24/662305824.db2.gz HEVKTKKWMQPLKK-ONGXEEELSA-N 1 1 308.342 -1.534 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969145970 662305853 /nfs/dbraw/zinc/30/58/53/662305853.db2.gz WHVJUYINYNWFQL-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)[nH]1 ZINC000969140996 662305967 /nfs/dbraw/zinc/30/59/67/662305967.db2.gz XUCVDQHMDJBEIB-SNVBAGLBSA-N 1 1 320.357 -1.601 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)C2)c1=O ZINC000969142738 662305993 /nfs/dbraw/zinc/30/59/93/662305993.db2.gz DGRLGWUUAAXJLS-LLVKDONJSA-N 1 1 317.353 -1.238 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000969175497 662306789 /nfs/dbraw/zinc/30/67/89/662306789.db2.gz QNDREUZPTDKSJJ-SECBINFHSA-N 1 1 318.341 -1.069 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3cn(C)c(=O)cn3)C2)n1 ZINC001020412872 662307855 /nfs/dbraw/zinc/30/78/55/662307855.db2.gz ACOQPAZKJDLKEC-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC000969271577 662309348 /nfs/dbraw/zinc/30/93/48/662309348.db2.gz UADJUZMKDDIALM-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO CN(CC(=O)N1CCN(C)CC[N@@H+](C)CC1)S(C)(=O)=O ZINC000888995175 662310263 /nfs/dbraw/zinc/31/02/63/662310263.db2.gz DDLSTJOSRWFXJH-UHFFFAOYSA-N 1 1 306.432 -1.416 20 0 DAADMO CCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC000969326272 662310913 /nfs/dbraw/zinc/31/09/13/662310913.db2.gz DAZSMOFJXGGMJI-AQCKVWFBSA-N 1 1 323.393 -1.053 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020463744 662311109 /nfs/dbraw/zinc/31/11/09/662311109.db2.gz IOJVJTIHJFDFQD-MGCOHNPYSA-N 1 1 324.410 -1.293 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001020463472 662311140 /nfs/dbraw/zinc/31/11/40/662311140.db2.gz DIBVMBSZDCGKAY-XYPYZODXSA-N 1 1 322.369 -1.453 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCN2C(=O)CNC2=O)C1 ZINC001039028546 662311273 /nfs/dbraw/zinc/31/12/73/662311273.db2.gz PWUXNSSJZNSHBE-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC000969327541 662311613 /nfs/dbraw/zinc/31/16/13/662311613.db2.gz XYBKSGIQAGHSDM-NRYGQCTKSA-N 1 1 309.366 -1.443 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001020471083 662312149 /nfs/dbraw/zinc/31/21/49/662312149.db2.gz VKJDRZUTXLPKLN-FXPVBKGRSA-N 1 1 307.358 -1.425 20 0 DAADMO CN1CCN(C(=O)CCNS(C)(=O)=O)CC[N@@H+](C)CC1 ZINC000888995279 662312173 /nfs/dbraw/zinc/31/21/73/662312173.db2.gz IJMHXFKSMBYXEH-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001020469113 662312289 /nfs/dbraw/zinc/31/22/89/662312289.db2.gz MIBGBGAUWPMDOR-ZKCHVHJHSA-N 1 1 306.330 -1.300 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001020480031 662313298 /nfs/dbraw/zinc/31/32/98/662313298.db2.gz MKJYKUBUKYICNX-FXQIFTODSA-N 1 1 306.334 -1.655 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1=O ZINC000888995509 662313678 /nfs/dbraw/zinc/31/36/78/662313678.db2.gz ROAQUWLYKBLCBJ-UHFFFAOYSA-N 1 1 323.397 -1.747 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001020490079 662314010 /nfs/dbraw/zinc/31/40/10/662314010.db2.gz MQIGELJFCQOVAR-NAKRPEOUSA-N 1 1 321.385 -1.014 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020530826 662316178 /nfs/dbraw/zinc/31/61/78/662316178.db2.gz IFFHDFTYVYDOEI-GUBZILKMSA-N 1 1 322.373 -1.328 20 0 DAADMO NC(=O)CC(=O)N1CC(O)C(NC(=O)C23CC[N@@H+](C2)CCC3)C1 ZINC000969435901 662316610 /nfs/dbraw/zinc/31/66/10/662316610.db2.gz JOEXRWIUZOOAMV-ZETOZRRWSA-N 1 1 324.381 -1.964 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001020531707 662316915 /nfs/dbraw/zinc/31/69/15/662316915.db2.gz ZWMIDVCNGPIDJW-IWSPIJDZSA-N 1 1 323.357 -1.446 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1CNC(=O)N1 ZINC001020531953 662316964 /nfs/dbraw/zinc/31/69/64/662316964.db2.gz BXMWMZACXWILCQ-NQMVMOMDSA-N 1 1 320.357 -1.574 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1CNC(=O)N1 ZINC001020531954 662317042 /nfs/dbraw/zinc/31/70/42/662317042.db2.gz BXMWMZACXWILCQ-NRPADANISA-N 1 1 320.357 -1.574 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001020535044 662317450 /nfs/dbraw/zinc/31/74/50/662317450.db2.gz WDNYBCGNGBKEJW-ZKCHVHJHSA-N 1 1 317.309 -1.251 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC000969442563 662317625 /nfs/dbraw/zinc/31/76/25/662317625.db2.gz RUZREFMNUZNPDT-CMPLNLGQSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC000969442563 662317628 /nfs/dbraw/zinc/31/76/28/662317628.db2.gz RUZREFMNUZNPDT-CMPLNLGQSA-N 1 1 323.401 -1.523 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001020534822 662317721 /nfs/dbraw/zinc/31/77/21/662317721.db2.gz MIBNJONVTBWQCA-KYZUINATSA-N 1 1 323.357 -1.753 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC000969442564 662317772 /nfs/dbraw/zinc/31/77/72/662317772.db2.gz RUZREFMNUZNPDT-JQWIXIFHSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnnn2C)C1 ZINC000969442564 662317774 /nfs/dbraw/zinc/31/77/74/662317774.db2.gz RUZREFMNUZNPDT-JQWIXIFHSA-N 1 1 323.401 -1.523 20 0 DAADMO CN1CC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001020547313 662318800 /nfs/dbraw/zinc/31/88/00/662318800.db2.gz FPRSSLWRTSSECW-CIUDSAMLSA-N 1 1 321.337 -1.219 20 0 DAADMO C[C@@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969516844 662319378 /nfs/dbraw/zinc/31/93/78/662319378.db2.gz FWFWRLKYSPOHAR-DGCLKSJQSA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)c1N)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969531785 662321420 /nfs/dbraw/zinc/32/14/20/662321420.db2.gz IMXPDXLHOBEXQF-KCJUWKMLSA-N 1 1 306.370 -1.059 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O ZINC000969535284 662321425 /nfs/dbraw/zinc/32/14/25/662321425.db2.gz XIVBTXFFBZIDOT-LPWJVIDDSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)o1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000969573637 662322394 /nfs/dbraw/zinc/32/23/94/662322394.db2.gz LFOYMXARNDYRDB-PSASIEDQSA-N 1 1 308.338 -1.083 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969566681 662322562 /nfs/dbraw/zinc/32/25/62/662322562.db2.gz MOCKEAMJNOEXFU-KOLCDFICSA-N 1 1 319.369 -1.165 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969566792 662322592 /nfs/dbraw/zinc/32/25/92/662322592.db2.gz OMEDBEXNRQPDKE-GFCCVEGCSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC000969579578 662322636 /nfs/dbraw/zinc/32/26/36/662322636.db2.gz YJLKXERSSQIUKE-MRVPVSSYSA-N 1 1 306.330 -1.347 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N(C)C)C2)C1 ZINC000969569280 662322689 /nfs/dbraw/zinc/32/26/89/662322689.db2.gz NYNSSLLQAFQHFM-JTQLQIEISA-N 1 1 310.398 -1.011 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000969579586 662322763 /nfs/dbraw/zinc/32/27/63/662322763.db2.gz YQAXISNHTFBAHC-MNOVXSKESA-N 1 1 321.385 -1.090 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1[nH]ncc1F ZINC001020556015 662322856 /nfs/dbraw/zinc/32/28/56/662322856.db2.gz YIYMATHUTVSMFK-ZKCHVHJHSA-N 1 1 324.316 -1.049 20 0 DAADMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969590782 662323194 /nfs/dbraw/zinc/32/31/94/662323194.db2.gz JDERIUBHCLBOKA-MWLCHTKSSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC000969586000 662323337 /nfs/dbraw/zinc/32/33/37/662323337.db2.gz DMCVHDFERLZCSG-MWLCHTKSSA-N 1 1 307.358 -1.471 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000969585828 662323414 /nfs/dbraw/zinc/32/34/14/662323414.db2.gz BBVGBYJNMSCBDV-ZJUUUORDSA-N 1 1 307.358 -1.471 20 0 DAADMO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969590783 662323502 /nfs/dbraw/zinc/32/35/02/662323502.db2.gz JDERIUBHCLBOKA-ONGXEEELSA-N 1 1 310.354 -1.236 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)[nH]1 ZINC000969586205 662323573 /nfs/dbraw/zinc/32/35/73/662323573.db2.gz IKUNRZZPXLAILD-NXEZZACHSA-N 1 1 307.358 -1.173 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000969636955 662324315 /nfs/dbraw/zinc/32/43/15/662324315.db2.gz FKSHDPOBVBHWAC-ZJUUUORDSA-N 1 1 307.358 -1.621 20 0 DAADMO COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048849 662324729 /nfs/dbraw/zinc/32/47/29/662324729.db2.gz BNGIYFHMBZBSAI-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048849 662324733 /nfs/dbraw/zinc/32/47/33/662324733.db2.gz BNGIYFHMBZBSAI-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001020573967 662324906 /nfs/dbraw/zinc/32/49/06/662324906.db2.gz BQJRTTSPYOEZGC-KYZUINATSA-N 1 1 319.325 -1.047 20 0 DAADMO COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048845 662324980 /nfs/dbraw/zinc/32/49/80/662324980.db2.gz BNGIYFHMBZBSAI-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048845 662324981 /nfs/dbraw/zinc/32/49/81/662324981.db2.gz BNGIYFHMBZBSAI-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC000969750118 662326123 /nfs/dbraw/zinc/32/61/23/662326123.db2.gz CYZGTZGILWPLIK-RKDXNWHRSA-N 1 1 318.341 -1.141 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969744193 662326387 /nfs/dbraw/zinc/32/63/87/662326387.db2.gz UYSUFIURLQVWMS-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC000969750117 662326562 /nfs/dbraw/zinc/32/65/62/662326562.db2.gz CYZGTZGILWPLIK-DTWKUNHWSA-N 1 1 318.341 -1.141 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)nn1 ZINC000969750887 662327925 /nfs/dbraw/zinc/32/79/25/662327925.db2.gz LCUHAKDZBLOAMQ-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1ncn[nH]1 ZINC000969747679 662328406 /nfs/dbraw/zinc/32/84/06/662328406.db2.gz DDGTUXAZYBCUGC-ZJUUUORDSA-N 1 1 320.353 -1.798 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O)c1nc[nH]n1 ZINC000969747679 662328407 /nfs/dbraw/zinc/32/84/07/662328407.db2.gz DDGTUXAZYBCUGC-ZJUUUORDSA-N 1 1 320.353 -1.798 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC000969765789 662328909 /nfs/dbraw/zinc/32/89/09/662328909.db2.gz FRHIURMQFKBKEL-KOLCDFICSA-N 1 1 307.358 -1.330 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C1 ZINC000969778478 662329259 /nfs/dbraw/zinc/32/92/59/662329259.db2.gz YEHLAXVJOVZONR-MRVPVSSYSA-N 1 1 321.362 -1.068 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C3CC3)C2)CC1 ZINC000969791940 662330795 /nfs/dbraw/zinc/33/07/95/662330795.db2.gz IOALJJAQAYZFKE-SECBINFHSA-N 1 1 319.369 -1.036 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001020593948 662332676 /nfs/dbraw/zinc/33/26/76/662332676.db2.gz CWWCUJGQYJHXFZ-ZKCHVHJHSA-N 1 1 318.341 -1.312 20 0 DAADMO CN1CC(C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)=NC1=O ZINC000969827918 662332777 /nfs/dbraw/zinc/33/27/77/662332777.db2.gz ZIGMLOIFZZYJRN-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC000969827687 662333048 /nfs/dbraw/zinc/33/30/48/662333048.db2.gz UDLMVNUOALUZBG-MRVPVSSYSA-N 1 1 306.330 -1.347 20 0 DAADMO CN1CC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC000969827113 662333285 /nfs/dbraw/zinc/33/32/85/662333285.db2.gz KGFYTDCXFGRZMU-RKDXNWHRSA-N 1 1 321.337 -1.265 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCC(=O)N1 ZINC001020611673 662333725 /nfs/dbraw/zinc/33/37/25/662333725.db2.gz OCZPGPSONXWMFT-NAKRPEOUSA-N 1 1 321.385 -1.138 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969881034 662333761 /nfs/dbraw/zinc/33/37/61/662333761.db2.gz LOMBONJFWPGMIE-UWVGGRQHSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969861283 662333871 /nfs/dbraw/zinc/33/38/71/662333871.db2.gz JEDOKOZAYXMGAZ-DTWKUNHWSA-N 1 1 307.354 -1.296 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC000969911843 662334243 /nfs/dbraw/zinc/33/42/43/662334243.db2.gz ACNHJAJQXIHGIQ-SECBINFHSA-N 1 1 319.325 -1.094 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020636628 662334466 /nfs/dbraw/zinc/33/44/66/662334466.db2.gz BFHUHIXICVTCDI-FXPVBKGRSA-N 1 1 305.338 -1.006 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001020645604 662334733 /nfs/dbraw/zinc/33/47/33/662334733.db2.gz KPZQFNLGEXPTNG-ZKWXMUAHSA-N 1 1 324.366 -1.127 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001020647118 662334821 /nfs/dbraw/zinc/33/48/21/662334821.db2.gz JARQGIUZLLGCKK-ZKWXMUAHSA-N 1 1 324.366 -1.127 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969970538 662335253 /nfs/dbraw/zinc/33/52/53/662335253.db2.gz PPGGCLHNFZNDMX-MXWKQRLJSA-N 1 1 321.385 -1.375 20 0 DAADMO CNC(=O)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958249 662335440 /nfs/dbraw/zinc/33/54/40/662335440.db2.gz KINCEEVVAFOFGM-NQBHXWOUSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958249 662335443 /nfs/dbraw/zinc/33/54/43/662335443.db2.gz KINCEEVVAFOFGM-NQBHXWOUSA-N 1 1 312.414 -1.112 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000969994608 662336368 /nfs/dbraw/zinc/33/63/68/662336368.db2.gz YOGBAEPXBJWYOF-WCQGTBRESA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000969996654 662336384 /nfs/dbraw/zinc/33/63/84/662336384.db2.gz BJOPJESYOGKSNP-JLLWLGSASA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1)C1CCC1 ZINC000970002580 662338528 /nfs/dbraw/zinc/33/85/28/662338528.db2.gz ZMIFHHLTHIHLND-NEPJUHHUSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC000970079096 662341017 /nfs/dbraw/zinc/34/10/17/662341017.db2.gz ZASRLDXNMYUERS-UTUOFQBUSA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001020736724 662341635 /nfs/dbraw/zinc/34/16/35/662341635.db2.gz ZSPABJUTJXGHFJ-OPRDCNLKSA-N 1 1 307.358 -1.384 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020764987 662342287 /nfs/dbraw/zinc/34/22/87/662342287.db2.gz SXZROMLPMURSRA-ZKCHVHJHSA-N 1 1 308.298 -1.642 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000970118978 662343650 /nfs/dbraw/zinc/34/36/50/662343650.db2.gz JWXFDOZDMLJQMC-ZJUUUORDSA-N 1 1 307.310 -1.037 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020900519 662344035 /nfs/dbraw/zinc/34/40/35/662344035.db2.gz HPYZGRCGWAFBAX-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020903864 662344238 /nfs/dbraw/zinc/34/42/38/662344238.db2.gz FRPAKMYUKMQNHQ-XYPYZODXSA-N 1 1 322.369 -1.557 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001020994743 662346283 /nfs/dbraw/zinc/34/62/83/662346283.db2.gz NMMKRCJLXAVVIZ-GMTAPVOTSA-N 1 1 321.385 -1.042 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021030903 662348508 /nfs/dbraw/zinc/34/85/08/662348508.db2.gz YUZLZKBGFUPSDE-KYZUINATSA-N 1 1 307.310 -1.045 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000970190448 662348993 /nfs/dbraw/zinc/34/89/93/662348993.db2.gz MVAFEVDDNYOUHC-CFFKWZFISA-N 1 1 322.409 -1.229 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001021047736 662349176 /nfs/dbraw/zinc/34/91/76/662349176.db2.gz NBQVATXZRCGRIZ-GMTAPVOTSA-N 1 1 308.386 -1.203 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001021047736 662349178 /nfs/dbraw/zinc/34/91/78/662349178.db2.gz NBQVATXZRCGRIZ-GMTAPVOTSA-N 1 1 308.386 -1.203 20 0 DAADMO CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192737 662349264 /nfs/dbraw/zinc/34/92/64/662349264.db2.gz FRJZPUKYVPWMSR-KOLCDFICSA-N 1 1 317.411 -1.256 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970208579 662351401 /nfs/dbraw/zinc/35/14/01/662351401.db2.gz VEOOLVJDLKKNSA-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)C1 ZINC001021079559 662354042 /nfs/dbraw/zinc/35/40/42/662354042.db2.gz AOLQBBBEXLELMK-SRVKXCTJSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)C1 ZINC001021079559 662354044 /nfs/dbraw/zinc/35/40/44/662354044.db2.gz AOLQBBBEXLELMK-SRVKXCTJSA-N 1 1 323.401 -1.332 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001021080407 662354206 /nfs/dbraw/zinc/35/42/06/662354206.db2.gz NFZZQRFRLJHZOF-DCAQKATOSA-N 1 1 324.385 -1.032 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001021080407 662354207 /nfs/dbraw/zinc/35/42/07/662354207.db2.gz NFZZQRFRLJHZOF-DCAQKATOSA-N 1 1 324.385 -1.032 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001021099292 662354400 /nfs/dbraw/zinc/35/44/00/662354400.db2.gz UWFLYLHRGYDUCL-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C2)[nH]1 ZINC000970255204 662354739 /nfs/dbraw/zinc/35/47/39/662354739.db2.gz UOWBGYVIRYQIRI-SNVBAGLBSA-N 1 1 320.353 -1.144 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970265588 662355315 /nfs/dbraw/zinc/35/53/15/662355315.db2.gz RHJQATWQARVOJD-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970269543 662355698 /nfs/dbraw/zinc/35/56/98/662355698.db2.gz ADQLIMMSTADGIC-BXKDBHETSA-N 1 1 323.397 -1.275 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000954835553 662356369 /nfs/dbraw/zinc/35/63/69/662356369.db2.gz RSBFAUBDGKXFOM-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970287612 662356684 /nfs/dbraw/zinc/35/66/84/662356684.db2.gz JKIINCQKLIIWRU-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000970287743 662356749 /nfs/dbraw/zinc/35/67/49/662356749.db2.gz LGDGPJOGZHCDRZ-BDAKNGLRSA-N 1 1 309.374 -1.263 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970288497 662356757 /nfs/dbraw/zinc/35/67/57/662356757.db2.gz SOFMXRYWWPKSOU-VXNVDRBHSA-N 1 1 321.341 -1.935 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970286623 662356876 /nfs/dbraw/zinc/35/68/76/662356876.db2.gz YVHOKGUZSUUGAF-MRVPVSSYSA-N 1 1 322.329 -2.548 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000970287833 662357087 /nfs/dbraw/zinc/35/70/87/662357087.db2.gz MJVFYEMTWNPIEJ-RKDXNWHRSA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000970287002 662357148 /nfs/dbraw/zinc/35/71/48/662357148.db2.gz GOYCOXPBXYJKMN-PSASIEDQSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC000970289597 662357704 /nfs/dbraw/zinc/35/77/04/662357704.db2.gz JCGNHBSSHBADFI-WPRPVWTQSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000970289583 662357809 /nfs/dbraw/zinc/35/78/09/662357809.db2.gz IWPGVDQQTJDPQT-ONGXEEELSA-N 1 1 321.385 -1.119 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970342663 662358976 /nfs/dbraw/zinc/35/89/76/662358976.db2.gz DHSSYPWZDVBTQG-IUCAKERBSA-N 1 1 307.354 -1.046 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970342664 662358990 /nfs/dbraw/zinc/35/89/90/662358990.db2.gz DHSSYPWZDVBTQG-RKDXNWHRSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970355219 662359510 /nfs/dbraw/zinc/35/95/10/662359510.db2.gz XCRAEMIDOPZLTF-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000970355221 662359521 /nfs/dbraw/zinc/35/95/21/662359521.db2.gz XCRAEMIDOPZLTF-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970354872 662359810 /nfs/dbraw/zinc/35/98/10/662359810.db2.gz UZHKDWXRALKJFT-BXKDBHETSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001021219404 662360394 /nfs/dbraw/zinc/36/03/94/662360394.db2.gz LDIKLGMNTMJWFA-WVMKXHBISA-N 1 1 310.398 -1.086 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970425642 662361217 /nfs/dbraw/zinc/36/12/17/662361217.db2.gz MILRMZKRHQBZBF-SECBINFHSA-N 1 1 322.325 -1.298 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1)C1CC1 ZINC001010671038 662362527 /nfs/dbraw/zinc/36/25/27/662362527.db2.gz STKLYVHXECMTGG-SNVBAGLBSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1)C1CC1 ZINC001010671038 662362529 /nfs/dbraw/zinc/36/25/29/662362529.db2.gz STKLYVHXECMTGG-SNVBAGLBSA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1cnn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)c1=O ZINC001021305438 662363164 /nfs/dbraw/zinc/36/31/64/662363164.db2.gz YBPXJVMKBIUFJT-FGWVZKOKSA-N 1 1 322.369 -1.821 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC000970524085 662363673 /nfs/dbraw/zinc/36/36/73/662363673.db2.gz HIHHGIBVBWBEFK-BBBLOLIVSA-N 1 1 307.358 -1.260 20 0 DAADMO CN1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1=O ZINC001021303158 662363748 /nfs/dbraw/zinc/36/37/48/662363748.db2.gz RRCUIAYLQTWHSG-AGUYFDCRSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001010690551 662364160 /nfs/dbraw/zinc/36/41/60/662364160.db2.gz IBPHUOHRWCCQOV-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)ncc1=O ZINC001021328390 662364198 /nfs/dbraw/zinc/36/41/98/662364198.db2.gz GCZLLMHRIAEVFP-FGWVZKOKSA-N 1 1 319.365 -1.009 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576737 662364742 /nfs/dbraw/zinc/36/47/42/662364742.db2.gz FEHUSRCZPOJHPO-LDYMZIIASA-N 1 1 324.381 -1.260 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970576969 662364761 /nfs/dbraw/zinc/36/47/61/662364761.db2.gz HAFZATMOLNDGOC-BDAKNGLRSA-N 1 1 324.381 -1.390 20 0 DAADMO CN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001021346819 662365037 /nfs/dbraw/zinc/36/50/37/662365037.db2.gz RLCLHYMYGANGRI-GYIHNLGQSA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700460 662365400 /nfs/dbraw/zinc/36/54/00/662365400.db2.gz YDJZDIHDQWGPGW-ZJUUUORDSA-N 1 1 308.342 -1.595 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700460 662365402 /nfs/dbraw/zinc/36/54/02/662365402.db2.gz YDJZDIHDQWGPGW-ZJUUUORDSA-N 1 1 308.342 -1.595 20 0 DAADMO Cn1nnc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001021351710 662365437 /nfs/dbraw/zinc/36/54/37/662365437.db2.gz DBCNDHYUJAFZRZ-HUAZRZQGSA-N 1 1 319.369 -1.176 20 0 DAADMO COc1c(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cnn1C ZINC000970586838 662365502 /nfs/dbraw/zinc/36/55/02/662365502.db2.gz WVGNZPLTMUKXBQ-SECBINFHSA-N 1 1 320.357 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC000970603319 662365820 /nfs/dbraw/zinc/36/58/20/662365820.db2.gz NVKOSGCEXQCVCE-GHMZBOCLSA-N 1 1 321.385 -1.089 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001021367409 662365898 /nfs/dbraw/zinc/36/58/98/662365898.db2.gz OFUQPJJNFHVIID-PSEXLTFBSA-N 1 1 321.381 -1.159 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC000970603320 662366192 /nfs/dbraw/zinc/36/61/92/662366192.db2.gz NVKOSGCEXQCVCE-MNOVXSKESA-N 1 1 321.385 -1.089 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949348496 662366470 /nfs/dbraw/zinc/36/64/70/662366470.db2.gz FHGCEONCLVZAQB-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000970637822 662366659 /nfs/dbraw/zinc/36/66/59/662366659.db2.gz LRPFUZXXZKAHBD-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000970644289 662366745 /nfs/dbraw/zinc/36/67/45/662366745.db2.gz XQLFMTNFNCSLSI-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000970644289 662366746 /nfs/dbraw/zinc/36/67/46/662366746.db2.gz XQLFMTNFNCSLSI-AXFHLTTASA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001010727829 662367117 /nfs/dbraw/zinc/36/71/17/662367117.db2.gz XLZXWGKZTNFNPD-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000970662668 662367180 /nfs/dbraw/zinc/36/71/80/662367180.db2.gz ZVWKHGDBPMBHTA-SNVBAGLBSA-N 1 1 307.310 -1.083 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000970674209 662367433 /nfs/dbraw/zinc/36/74/33/662367433.db2.gz TUBASLCNCNDFGC-SECBINFHSA-N 1 1 321.341 -1.950 20 0 DAADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@H]1CCS(=O)(=O)N1 ZINC001021462391 662368542 /nfs/dbraw/zinc/36/85/42/662368542.db2.gz FMFYOAQQEKQUPX-FGNRJIRKSA-N 1 1 317.411 -1.218 20 0 DAADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@@H]1CCS(=O)(=O)N1 ZINC001021462392 662368706 /nfs/dbraw/zinc/36/87/06/662368706.db2.gz FMFYOAQQEKQUPX-YATPEIPISA-N 1 1 317.411 -1.218 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001010781666 662370068 /nfs/dbraw/zinc/37/00/68/662370068.db2.gz RUALMIURNQNNRA-CYBMUJFWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000949374469 662371174 /nfs/dbraw/zinc/37/11/74/662371174.db2.gz HMLSMMDMPAVDQP-NSHDSACASA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000949374469 662371177 /nfs/dbraw/zinc/37/11/77/662371177.db2.gz HMLSMMDMPAVDQP-NSHDSACASA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC000970811715 662371230 /nfs/dbraw/zinc/37/12/30/662371230.db2.gz IUCXJCLERGGITO-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517262 662371307 /nfs/dbraw/zinc/37/13/07/662371307.db2.gz RZWZOGZVCNQYQL-MNOVXSKESA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)C1 ZINC000970786970 662371510 /nfs/dbraw/zinc/37/15/10/662371510.db2.gz IOFWPUSHHVWJBS-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)C1 ZINC000970786970 662371512 /nfs/dbraw/zinc/37/15/12/662371512.db2.gz IOFWPUSHHVWJBS-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)C1 ZINC000970786970 662371513 /nfs/dbraw/zinc/37/15/13/662371513.db2.gz IOFWPUSHHVWJBS-MXWKQRLJSA-N 1 1 322.369 -2.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517132 662371533 /nfs/dbraw/zinc/37/15/33/662371533.db2.gz RFVKRRLFTGNMGC-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517263 662371638 /nfs/dbraw/zinc/37/16/38/662371638.db2.gz RZWZOGZVCNQYQL-QWRGUYRKSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CN=NC2=O)C1 ZINC001021567105 662373917 /nfs/dbraw/zinc/37/39/17/662373917.db2.gz OSJXMBCGHRCOBJ-QWRGUYRKSA-N 1 1 322.369 -1.218 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000970894335 662374042 /nfs/dbraw/zinc/37/40/42/662374042.db2.gz RGYDPSCDVZAEFL-RKDXNWHRSA-N 1 1 321.341 -2.047 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)[nH]1 ZINC000970894979 662374113 /nfs/dbraw/zinc/37/41/13/662374113.db2.gz XFFJXTPKRJKFPW-NXEZZACHSA-N 1 1 320.353 -1.144 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000970893443 662374120 /nfs/dbraw/zinc/37/41/20/662374120.db2.gz IPAJSKRLUVPMHR-VHSXEESVSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000970895100 662374135 /nfs/dbraw/zinc/37/41/35/662374135.db2.gz YHMRXEYUPBEJJA-NXEZZACHSA-N 1 1 320.353 -1.442 20 0 DAADMO COCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC000970912062 662374513 /nfs/dbraw/zinc/37/45/13/662374513.db2.gz ZCUGJPNTPZZCAI-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC000970912062 662374519 /nfs/dbraw/zinc/37/45/19/662374519.db2.gz ZCUGJPNTPZZCAI-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010834491 662375395 /nfs/dbraw/zinc/37/53/95/662375395.db2.gz OTDBJPDEWKQCEJ-ZJUUUORDSA-N 1 1 311.342 -1.690 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021587640 662375510 /nfs/dbraw/zinc/37/55/10/662375510.db2.gz MQKKCGDHTCQVJX-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970942683 662375639 /nfs/dbraw/zinc/37/56/39/662375639.db2.gz UFLXRXALKIXMSD-RKDXNWHRSA-N 1 1 309.370 -1.352 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970942455 662375950 /nfs/dbraw/zinc/37/59/50/662375950.db2.gz SKKOTQGAVQTPAL-MWLCHTKSSA-N 1 1 321.381 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000970940439 662376127 /nfs/dbraw/zinc/37/61/27/662376127.db2.gz DBTORPTZLVHWRP-NXEZZACHSA-N 1 1 323.397 -1.092 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)C1 ZINC000970956083 662376132 /nfs/dbraw/zinc/37/61/32/662376132.db2.gz BYDDXPGMWYJGPK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)C1 ZINC000970956083 662376135 /nfs/dbraw/zinc/37/61/35/662376135.db2.gz BYDDXPGMWYJGPK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)C1 ZINC000970956083 662376137 /nfs/dbraw/zinc/37/61/37/662376137.db2.gz BYDDXPGMWYJGPK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970942454 662376200 /nfs/dbraw/zinc/37/62/00/662376200.db2.gz SKKOTQGAVQTPAL-KOLCDFICSA-N 1 1 321.381 -1.338 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001010873848 662377170 /nfs/dbraw/zinc/37/71/70/662377170.db2.gz CCKAWLJHNSYESB-LBPRGKRZSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001010873848 662377171 /nfs/dbraw/zinc/37/71/71/662377171.db2.gz CCKAWLJHNSYESB-LBPRGKRZSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001010878972 662377176 /nfs/dbraw/zinc/37/71/76/662377176.db2.gz UBKDXXQLVIRFJT-LLVKDONJSA-N 1 1 308.342 -1.580 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001010878972 662377177 /nfs/dbraw/zinc/37/71/77/662377177.db2.gz UBKDXXQLVIRFJT-LLVKDONJSA-N 1 1 308.342 -1.580 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021652220 662377186 /nfs/dbraw/zinc/37/71/86/662377186.db2.gz HUASULKEKJUTSO-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001010870287 662377208 /nfs/dbraw/zinc/37/72/08/662377208.db2.gz CCDMGURUTDEREU-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001010870287 662377210 /nfs/dbraw/zinc/37/72/10/662377210.db2.gz CCDMGURUTDEREU-WOPDTQHZSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC000949444835 662377451 /nfs/dbraw/zinc/37/74/51/662377451.db2.gz NJFQKVYRSVNNJA-LLVKDONJSA-N 1 1 324.385 -1.102 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC001021663086 662377491 /nfs/dbraw/zinc/37/74/91/662377491.db2.gz ZLWNZWDMSWISIS-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)nn1 ZINC001010858095 662377497 /nfs/dbraw/zinc/37/74/97/662377497.db2.gz ANBMBGJBPMHDNM-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)nn1 ZINC001010858095 662377499 /nfs/dbraw/zinc/37/74/99/662377499.db2.gz ANBMBGJBPMHDNM-SNVBAGLBSA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661072 662377575 /nfs/dbraw/zinc/37/75/75/662377575.db2.gz JYONCJDRLXDXIF-UWVGGRQHSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661072 662377577 /nfs/dbraw/zinc/37/75/77/662377577.db2.gz JYONCJDRLXDXIF-UWVGGRQHSA-N 1 1 322.369 -1.593 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001010870285 662377588 /nfs/dbraw/zinc/37/75/88/662377588.db2.gz CCDMGURUTDEREU-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001010870285 662377590 /nfs/dbraw/zinc/37/75/90/662377590.db2.gz CCDMGURUTDEREU-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC001021663085 662377619 /nfs/dbraw/zinc/37/76/19/662377619.db2.gz ZLWNZWDMSWISIS-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046643 662377779 /nfs/dbraw/zinc/37/77/79/662377779.db2.gz SSQJMXSWWFPYCN-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046650 662377810 /nfs/dbraw/zinc/37/78/10/662377810.db2.gz SVLKAHURLPQAKN-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971046369 662378033 /nfs/dbraw/zinc/37/80/33/662378033.db2.gz QZRNIILTCSYSLS-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971046369 662378036 /nfs/dbraw/zinc/37/80/36/662378036.db2.gz QZRNIILTCSYSLS-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971050518 662378089 /nfs/dbraw/zinc/37/80/89/662378089.db2.gz YZFXDRAUWWPBCR-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC000971045278 662378151 /nfs/dbraw/zinc/37/81/51/662378151.db2.gz MGISOLCDNIKQML-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971046651 662378187 /nfs/dbraw/zinc/37/81/87/662378187.db2.gz SVLKAHURLPQAKN-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971048766 662378307 /nfs/dbraw/zinc/37/83/07/662378307.db2.gz PLTOIWPYSARCBF-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)C1 ZINC001038204852 662378661 /nfs/dbraw/zinc/37/86/61/662378661.db2.gz MJZDGLGFUUBLMC-ZDUSSCGKSA-N 1 1 306.370 -1.053 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)C1 ZINC001038204852 662378663 /nfs/dbraw/zinc/37/86/63/662378663.db2.gz MJZDGLGFUUBLMC-ZDUSSCGKSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC001021699738 662378764 /nfs/dbraw/zinc/37/87/64/662378764.db2.gz USBWTHHXMNZSTK-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971210509 662379565 /nfs/dbraw/zinc/37/95/65/662379565.db2.gz HXIRZZUYEFBWQB-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCCC3)CCN21 ZINC000933093733 662380148 /nfs/dbraw/zinc/38/01/48/662380148.db2.gz PKQSTOPDPOWEDL-RYUDHWBXSA-N 1 1 319.427 -1.123 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCCC3)CCN21 ZINC000933093733 662380151 /nfs/dbraw/zinc/38/01/51/662380151.db2.gz PKQSTOPDPOWEDL-RYUDHWBXSA-N 1 1 319.427 -1.123 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933102239 662380484 /nfs/dbraw/zinc/38/04/84/662380484.db2.gz XUJHYYMZLBXVKB-VXGBXAGGSA-N 1 1 306.432 -1.478 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933102579 662380538 /nfs/dbraw/zinc/38/05/38/662380538.db2.gz ZUWIZBWDCIKYKI-NWDGAFQWSA-N 1 1 304.416 -1.724 20 0 DAADMO CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271069 662380541 /nfs/dbraw/zinc/38/05/41/662380541.db2.gz JWVVBHDQHUVFKT-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnnn1C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271069 662380542 /nfs/dbraw/zinc/38/05/42/662380542.db2.gz JWVVBHDQHUVFKT-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971269838 662380621 /nfs/dbraw/zinc/38/06/21/662380621.db2.gz CMCZFELNGOJIIC-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnn(C)n1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971269838 662380623 /nfs/dbraw/zinc/38/06/23/662380623.db2.gz CMCZFELNGOJIIC-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CC(C)OCC[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100890 662380687 /nfs/dbraw/zinc/38/06/87/662380687.db2.gz NZALUKBXQKIPJQ-RYUDHWBXSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)OCC[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100890 662380688 /nfs/dbraw/zinc/38/06/88/662380688.db2.gz NZALUKBXQKIPJQ-RYUDHWBXSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021816074 662380834 /nfs/dbraw/zinc/38/08/34/662380834.db2.gz CNHPEWHJTNTICF-AOOOYVTPSA-N 1 1 320.361 -1.323 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001021820080 662381223 /nfs/dbraw/zinc/38/12/23/662381223.db2.gz BONQMWFWZBMREX-AOOOYVTPSA-N 1 1 307.358 -1.431 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971374195 662381343 /nfs/dbraw/zinc/38/13/43/662381343.db2.gz WAHFPVGQTOVFOX-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971374195 662381344 /nfs/dbraw/zinc/38/13/44/662381344.db2.gz WAHFPVGQTOVFOX-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001021892830 662382449 /nfs/dbraw/zinc/38/24/49/662382449.db2.gz UWHFTGAAMWCWLY-RGOKHQFPSA-N 1 1 308.342 -1.244 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021906367 662382839 /nfs/dbraw/zinc/38/28/39/662382839.db2.gz LMZUHUSIQSGFPU-TUAOUCFPSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001021927952 662383080 /nfs/dbraw/zinc/38/30/80/662383080.db2.gz KATMWYAJUIOIHP-WISYIIOYSA-N 1 1 323.401 -1.162 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452639 662383654 /nfs/dbraw/zinc/38/36/54/662383654.db2.gz SZISIHFLLLJKPE-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971452639 662383656 /nfs/dbraw/zinc/38/36/56/662383656.db2.gz SZISIHFLLLJKPE-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CN=NC3=O)C2)n1 ZINC001021987668 662384053 /nfs/dbraw/zinc/38/40/53/662384053.db2.gz LHQGWGPEWZQAHA-DTORHVGOSA-N 1 1 306.330 -1.451 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001022044471 662384819 /nfs/dbraw/zinc/38/48/19/662384819.db2.gz BRKQFYJBRMLCCX-XHNCKOQMSA-N 1 1 305.346 -1.050 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001022044470 662384867 /nfs/dbraw/zinc/38/48/67/662384867.db2.gz BRKQFYJBRMLCCX-HLTSFMKQSA-N 1 1 305.346 -1.050 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1COC(=O)N1 ZINC001038213587 662385341 /nfs/dbraw/zinc/38/53/41/662385341.db2.gz NMQAWXFDJSUBTA-VHSXEESVSA-N 1 1 311.342 -1.690 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1COC(=O)N1 ZINC001038213587 662385342 /nfs/dbraw/zinc/38/53/42/662385342.db2.gz NMQAWXFDJSUBTA-VHSXEESVSA-N 1 1 311.342 -1.690 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC000971545544 662385363 /nfs/dbraw/zinc/38/53/63/662385363.db2.gz TXLANYMOZMTPJX-SNVBAGLBSA-N 1 1 324.381 -1.211 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC000971545544 662385366 /nfs/dbraw/zinc/38/53/66/662385366.db2.gz TXLANYMOZMTPJX-SNVBAGLBSA-N 1 1 324.381 -1.211 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2nccn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971609062 662386225 /nfs/dbraw/zinc/38/62/25/662386225.db2.gz SHBHZWUFBPWPBM-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971609017 662386335 /nfs/dbraw/zinc/38/63/35/662386335.db2.gz QURIUKXQHLZPNS-LBPRGKRZSA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000971640766 662387065 /nfs/dbraw/zinc/38/70/65/662387065.db2.gz IEEOUHGAGUOLEK-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)[nH]1 ZINC001022133499 662387413 /nfs/dbraw/zinc/38/74/13/662387413.db2.gz FCHVMOPWRJSQNA-AOOOYVTPSA-N 1 1 313.383 -1.105 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001022160963 662387694 /nfs/dbraw/zinc/38/76/94/662387694.db2.gz QZIYUHYLFPKIBL-LPEHRKFASA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1)c1nnnn1C ZINC001022141196 662387755 /nfs/dbraw/zinc/38/77/55/662387755.db2.gz IJXXACKFMCPWNC-LPEHRKFASA-N 1 1 305.346 -1.200 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001022191444 662388109 /nfs/dbraw/zinc/38/81/09/662388109.db2.gz MTDNMGPOGNHGQC-LPEHRKFASA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001022159717 662388380 /nfs/dbraw/zinc/38/83/80/662388380.db2.gz FNSDDVVRYXSMRB-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001022212527 662388614 /nfs/dbraw/zinc/38/86/14/662388614.db2.gz IIRCFTDIMOJOPW-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022221117 662388714 /nfs/dbraw/zinc/38/87/14/662388714.db2.gz YIXCUQNTZSBOAP-RNJXMRFFSA-N 1 1 324.366 -1.127 20 0 DAADMO CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971679808 662388762 /nfs/dbraw/zinc/38/87/62/662388762.db2.gz VJCZLZRDQADRED-STQMWFEESA-N 1 1 322.413 -1.169 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)cc1=O ZINC000971709238 662389084 /nfs/dbraw/zinc/38/90/84/662389084.db2.gz KJPMKTAKTJMGNX-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947463320 662389197 /nfs/dbraw/zinc/38/91/97/662389197.db2.gz FKNPJDIKXUVGAR-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC000947463700 662389349 /nfs/dbraw/zinc/38/93/49/662389349.db2.gz LJWWETCMJWVMOU-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC000947463700 662389351 /nfs/dbraw/zinc/38/93/51/662389351.db2.gz LJWWETCMJWVMOU-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001022251995 662389425 /nfs/dbraw/zinc/38/94/25/662389425.db2.gz RLGNXBGAQDPNBN-MXWKQRLJSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001022248983 662389526 /nfs/dbraw/zinc/38/95/26/662389526.db2.gz OOWIKALGWIDPLQ-KXUCPTDWSA-N 1 1 307.358 -1.384 20 0 DAADMO Cn1ncc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001038138845 662390164 /nfs/dbraw/zinc/39/01/64/662390164.db2.gz YLZVZMLNRQVNRN-CHWSQXEVSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001038138845 662390166 /nfs/dbraw/zinc/39/01/66/662390166.db2.gz YLZVZMLNRQVNRN-CHWSQXEVSA-N 1 1 308.386 -1.164 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001011076870 662390341 /nfs/dbraw/zinc/39/03/41/662390341.db2.gz MLGRDOLFRWGIKW-LLVKDONJSA-N 1 1 321.337 -1.029 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038224794 662390374 /nfs/dbraw/zinc/39/03/74/662390374.db2.gz DDDBXZNUKHMJDM-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038224794 662390377 /nfs/dbraw/zinc/39/03/77/662390377.db2.gz DDDBXZNUKHMJDM-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncs3)C2)c1=O ZINC001022331891 662390469 /nfs/dbraw/zinc/39/04/69/662390469.db2.gz PWBGFCUIRHPWJD-DTORHVGOSA-N 1 1 323.382 -1.130 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000933644969 662390527 /nfs/dbraw/zinc/39/05/27/662390527.db2.gz XRAPEOWILGIQMI-QWHCGFSZSA-N 1 1 324.443 -1.329 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000933644969 662390529 /nfs/dbraw/zinc/39/05/29/662390529.db2.gz XRAPEOWILGIQMI-QWHCGFSZSA-N 1 1 324.443 -1.329 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC1=O ZINC000971817495 662390675 /nfs/dbraw/zinc/39/06/75/662390675.db2.gz HHZULTRNUFHVAZ-NSHDSACASA-N 1 1 311.386 -2.222 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC1=O ZINC000971817495 662390677 /nfs/dbraw/zinc/39/06/77/662390677.db2.gz HHZULTRNUFHVAZ-NSHDSACASA-N 1 1 311.386 -2.222 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3csnn3)C2)c1=O ZINC001022332780 662390791 /nfs/dbraw/zinc/39/07/91/662390791.db2.gz FSKGWSLLGBLVJB-DTORHVGOSA-N 1 1 323.382 -1.130 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971817403 662391004 /nfs/dbraw/zinc/39/10/04/662391004.db2.gz FJWLPORETKBVTR-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CCCNC2=O)C1)[C@H]1CCNC1=O ZINC000971857390 662392125 /nfs/dbraw/zinc/39/21/25/662392125.db2.gz AUEBVPJMAJLMJP-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971857607 662392536 /nfs/dbraw/zinc/39/25/36/662392536.db2.gz COXXJZWAVGCSIQ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001022474137 662393208 /nfs/dbraw/zinc/39/32/08/662393208.db2.gz YRFZPNUBDWRUPS-AOOOYVTPSA-N 1 1 319.373 -1.199 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971884203 662393414 /nfs/dbraw/zinc/39/34/14/662393414.db2.gz FTUQOPJVSQIROF-VHSXEESVSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000971886569 662393447 /nfs/dbraw/zinc/39/34/47/662393447.db2.gz XSJXNOGHZJXNLX-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@H]1CO)c(=O)n2C ZINC000934020663 662393505 /nfs/dbraw/zinc/39/35/05/662393505.db2.gz GYKOVJWZWBDRBS-SNVBAGLBSA-N 1 1 307.354 -1.110 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001022540398 662394479 /nfs/dbraw/zinc/39/44/79/662394479.db2.gz WSXZAXKASMGHRR-RGOKHQFPSA-N 1 1 307.358 -1.542 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001022535011 662394541 /nfs/dbraw/zinc/39/45/41/662394541.db2.gz DIBVMBSZDCGKAY-PHIMTYICSA-N 1 1 322.369 -1.453 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001022535381 662394545 /nfs/dbraw/zinc/39/45/45/662394545.db2.gz IMAOELRVUWYMKC-AOOOYVTPSA-N 1 1 322.373 -2.621 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)o1 ZINC001022537609 662394615 /nfs/dbraw/zinc/39/46/15/662394615.db2.gz MMEUAIHDWBAOMF-PHIMTYICSA-N 1 1 322.369 -1.453 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1)c1nnnn1C ZINC001022542506 662394933 /nfs/dbraw/zinc/39/49/33/662394933.db2.gz KTRJBSDDZMKDOK-QEYWKRMJSA-N 1 1 307.358 -1.356 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)c1nnnn1C ZINC001022542501 662394968 /nfs/dbraw/zinc/39/49/68/662394968.db2.gz KTRJBSDDZMKDOK-AXTSPUMRSA-N 1 1 307.358 -1.356 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001022546940 662395374 /nfs/dbraw/zinc/39/53/74/662395374.db2.gz WRADHGFACFGUAX-YIZRAAEISA-N 1 1 308.346 -2.030 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000971933423 662395386 /nfs/dbraw/zinc/39/53/86/662395386.db2.gz JDZPVLDRTXYYAV-SNVBAGLBSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000971933423 662395388 /nfs/dbraw/zinc/39/53/88/662395388.db2.gz JDZPVLDRTXYYAV-SNVBAGLBSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022548224 662395512 /nfs/dbraw/zinc/39/55/12/662395512.db2.gz HYWLGPJRLICBJK-HBNTYKKESA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022548224 662395515 /nfs/dbraw/zinc/39/55/15/662395515.db2.gz HYWLGPJRLICBJK-HBNTYKKESA-N 1 1 310.354 -2.138 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001022553759 662395830 /nfs/dbraw/zinc/39/58/30/662395830.db2.gz OGGQCRDVIANPAP-AEJSXWLSSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC001022555821 662396124 /nfs/dbraw/zinc/39/61/24/662396124.db2.gz FMRBIBCNAZTUND-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001022558724 662396236 /nfs/dbraw/zinc/39/62/36/662396236.db2.gz CSEHBXJVDZDILR-DTORHVGOSA-N 1 1 320.361 -1.343 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001022561055 662396813 /nfs/dbraw/zinc/39/68/13/662396813.db2.gz FHBJOZGRESYYTQ-AEJSXWLSSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001022571920 662397186 /nfs/dbraw/zinc/39/71/86/662397186.db2.gz MQIGELJFCQOVAR-UKKRHICBSA-N 1 1 321.385 -1.014 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001022571919 662397349 /nfs/dbraw/zinc/39/73/49/662397349.db2.gz MQIGELJFCQOVAR-MMWGEVLESA-N 1 1 321.385 -1.014 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926337490 662397361 /nfs/dbraw/zinc/39/73/61/662397361.db2.gz PXVLAOMBNJOZQE-ZIAGYGMSSA-N 1 1 323.441 -1.297 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002392 662397696 /nfs/dbraw/zinc/39/76/96/662397696.db2.gz QVTWSBHSQVBVOV-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001022615670 662398024 /nfs/dbraw/zinc/39/80/24/662398024.db2.gz LKJJWUMUKOPTPR-OCAPTIKFSA-N 1 1 304.314 -1.656 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001022637236 662398544 /nfs/dbraw/zinc/39/85/44/662398544.db2.gz HOUAYOMMRHUCQC-KNVOCYPGSA-N 1 1 310.314 -2.420 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022631256 662398612 /nfs/dbraw/zinc/39/86/12/662398612.db2.gz XTLZKVYPHTZTPK-KXUCPTDWSA-N 1 1 322.373 -1.499 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022631255 662398802 /nfs/dbraw/zinc/39/88/02/662398802.db2.gz XTLZKVYPHTZTPK-AEJSXWLSSA-N 1 1 322.373 -1.499 20 0 DAADMO CN1CC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001022651621 662398842 /nfs/dbraw/zinc/39/88/42/662398842.db2.gz FPRSSLWRTSSECW-HRDYMLBCSA-N 1 1 321.337 -1.219 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001022636334 662398894 /nfs/dbraw/zinc/39/88/94/662398894.db2.gz WDNYBCGNGBKEJW-OCAPTIKFSA-N 1 1 317.309 -1.251 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001022631186 662398928 /nfs/dbraw/zinc/39/89/28/662398928.db2.gz VYOMTOYENZCPLM-HRDYMLBCSA-N 1 1 324.341 -1.366 20 0 DAADMO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972075478 662399281 /nfs/dbraw/zinc/39/92/81/662399281.db2.gz MEYHCHMXAIHTIZ-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)[C@@H]1CCNC1=O ZINC000972074750 662399287 /nfs/dbraw/zinc/39/92/87/662399287.db2.gz CKMTVJPJGOHEDD-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076757 662399296 /nfs/dbraw/zinc/39/92/96/662399296.db2.gz UQAWLMFVTYSURD-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076757 662399299 /nfs/dbraw/zinc/39/92/99/662399299.db2.gz UQAWLMFVTYSURD-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076755 662399315 /nfs/dbraw/zinc/39/93/15/662399315.db2.gz UQAWLMFVTYSURD-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972076755 662399318 /nfs/dbraw/zinc/39/93/18/662399318.db2.gz UQAWLMFVTYSURD-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972075479 662399461 /nfs/dbraw/zinc/39/94/61/662399461.db2.gz MEYHCHMXAIHTIZ-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076756 662399468 /nfs/dbraw/zinc/39/94/68/662399468.db2.gz UQAWLMFVTYSURD-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076756 662399469 /nfs/dbraw/zinc/39/94/69/662399469.db2.gz UQAWLMFVTYSURD-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080900 662399973 /nfs/dbraw/zinc/39/99/73/662399973.db2.gz XAAUTGQJIOTEAG-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCCN(C)C3=O)C2)n1 ZINC000972115859 662400994 /nfs/dbraw/zinc/40/09/94/662400994.db2.gz MKPXETIKVCONJY-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCCNC3=O)C2)n1 ZINC000972117068 662401079 /nfs/dbraw/zinc/40/10/79/662401079.db2.gz RNVFIMLOMKYSPC-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC(N)=O ZINC000947494284 662401526 /nfs/dbraw/zinc/40/15/26/662401526.db2.gz WVPOZYVQUFTOFT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1CC(N)=O ZINC000947494284 662401532 /nfs/dbraw/zinc/40/15/32/662401532.db2.gz WVPOZYVQUFTOFT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001022725444 662401830 /nfs/dbraw/zinc/40/18/30/662401830.db2.gz ASTPANNJLQJUFO-RGOKHQFPSA-N 1 1 322.369 -1.006 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@@H+]1C1CC1 ZINC000934398400 662402078 /nfs/dbraw/zinc/40/20/78/662402078.db2.gz ZADZEVKLMKGHTL-YWVKMMECSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C[N@H+]1C1CC1 ZINC000934398400 662402084 /nfs/dbraw/zinc/40/20/84/662402084.db2.gz ZADZEVKLMKGHTL-YWVKMMECSA-N 1 1 315.395 -1.359 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972187897 662402523 /nfs/dbraw/zinc/40/25/23/662402523.db2.gz ZHPNFMGIKDSDJI-VIFPVBQESA-N 1 1 317.353 -1.005 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972187897 662402528 /nfs/dbraw/zinc/40/25/28/662402528.db2.gz ZHPNFMGIKDSDJI-VIFPVBQESA-N 1 1 317.353 -1.005 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)CC2 ZINC000972180214 662402571 /nfs/dbraw/zinc/40/25/71/662402571.db2.gz WFEQEJUWMJJDMR-MNOVXSKESA-N 1 1 320.397 -1.062 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)CC2 ZINC000972180214 662402574 /nfs/dbraw/zinc/40/25/74/662402574.db2.gz WFEQEJUWMJJDMR-MNOVXSKESA-N 1 1 320.397 -1.062 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972200494 662402999 /nfs/dbraw/zinc/40/29/99/662402999.db2.gz ROCMSEYJHOYQPJ-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCC(=O)N1 ZINC001022745172 662403338 /nfs/dbraw/zinc/40/33/38/662403338.db2.gz OCZPGPSONXWMFT-ZNSHCXBVSA-N 1 1 321.385 -1.138 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205598 662403469 /nfs/dbraw/zinc/40/34/69/662403469.db2.gz DYKUCUXWWIOQRV-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205598 662403473 /nfs/dbraw/zinc/40/34/73/662403473.db2.gz DYKUCUXWWIOQRV-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198630 662403598 /nfs/dbraw/zinc/40/35/98/662403598.db2.gz IKIYMAVNLTYRIF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198630 662403602 /nfs/dbraw/zinc/40/36/02/662403602.db2.gz IKIYMAVNLTYRIF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215985 662404667 /nfs/dbraw/zinc/40/46/67/662404667.db2.gz LMKCUMVWHYCNPW-NXEZZACHSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215985 662404670 /nfs/dbraw/zinc/40/46/70/662404670.db2.gz LMKCUMVWHYCNPW-NXEZZACHSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215986 662404918 /nfs/dbraw/zinc/40/49/18/662404918.db2.gz LMKCUMVWHYCNPW-UWVGGRQHSA-N 1 1 303.384 -1.561 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972215986 662404922 /nfs/dbraw/zinc/40/49/22/662404922.db2.gz LMKCUMVWHYCNPW-UWVGGRQHSA-N 1 1 303.384 -1.561 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022775969 662405283 /nfs/dbraw/zinc/40/52/83/662405283.db2.gz QGWSAXNLSMQYBS-AOOOYVTPSA-N 1 1 320.353 -1.259 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972250330 662405615 /nfs/dbraw/zinc/40/56/15/662405615.db2.gz XJRWIVHYCHOXJC-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972250330 662405618 /nfs/dbraw/zinc/40/56/18/662405618.db2.gz XJRWIVHYCHOXJC-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)o1 ZINC001022782943 662406235 /nfs/dbraw/zinc/40/62/35/662406235.db2.gz KBAPTGRZGOWCLR-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972302608 662406306 /nfs/dbraw/zinc/40/63/06/662406306.db2.gz WINZWOQFCIFFMY-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972302608 662406307 /nfs/dbraw/zinc/40/63/07/662406307.db2.gz WINZWOQFCIFFMY-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001022784050 662407156 /nfs/dbraw/zinc/40/71/56/662407156.db2.gz YZAHWMZYJJQLRI-RNJXMRFFSA-N 1 1 324.366 -1.127 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972317274 662407236 /nfs/dbraw/zinc/40/72/36/662407236.db2.gz TWLVVJKQDLWDSZ-UKRRQHHQSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972317274 662407240 /nfs/dbraw/zinc/40/72/40/662407240.db2.gz TWLVVJKQDLWDSZ-UKRRQHHQSA-N 1 1 313.398 -1.387 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972341173 662407907 /nfs/dbraw/zinc/40/79/07/662407907.db2.gz BNSCLROISBTQBW-UTUOFQBUSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001011162060 662408001 /nfs/dbraw/zinc/40/80/01/662408001.db2.gz ZNQUZANVILYEPF-RYUDHWBXSA-N 1 1 308.382 -1.255 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972358031 662408417 /nfs/dbraw/zinc/40/84/17/662408417.db2.gz PDYBVTHSRRASHK-RISCZKNCSA-N 1 1 313.354 -1.220 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972358031 662408420 /nfs/dbraw/zinc/40/84/20/662408420.db2.gz PDYBVTHSRRASHK-RISCZKNCSA-N 1 1 313.354 -1.220 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972349285 662408650 /nfs/dbraw/zinc/40/86/50/662408650.db2.gz YGKNVFKUIGABDN-HIFRSBDPSA-N 1 1 313.398 -1.387 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972349285 662408653 /nfs/dbraw/zinc/40/86/53/662408653.db2.gz YGKNVFKUIGABDN-HIFRSBDPSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C(CCn1ccnn1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972358005 662408698 /nfs/dbraw/zinc/40/86/98/662408698.db2.gz OYFZBFLOAMUGLS-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(CCn1ccnn1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972358005 662408700 /nfs/dbraw/zinc/40/87/00/662408700.db2.gz OYFZBFLOAMUGLS-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)[nH]1 ZINC000972382809 662409278 /nfs/dbraw/zinc/40/92/78/662409278.db2.gz UTTPBNDOFOCWNZ-CQSZACIVSA-N 1 1 309.370 -1.049 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)[nH]1 ZINC000972382809 662409281 /nfs/dbraw/zinc/40/92/81/662409281.db2.gz UTTPBNDOFOCWNZ-CQSZACIVSA-N 1 1 309.370 -1.049 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949671540 662409329 /nfs/dbraw/zinc/40/93/29/662409329.db2.gz ATFSQYIJSNHMKV-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949671540 662409333 /nfs/dbraw/zinc/40/93/33/662409333.db2.gz ATFSQYIJSNHMKV-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000972386579 662410036 /nfs/dbraw/zinc/41/00/36/662410036.db2.gz QFHOITOGDIAZJZ-JTQLQIEISA-N 1 1 321.381 -1.017 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000972386579 662410037 /nfs/dbraw/zinc/41/00/37/662410037.db2.gz QFHOITOGDIAZJZ-JTQLQIEISA-N 1 1 321.381 -1.017 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001022849612 662410423 /nfs/dbraw/zinc/41/04/23/662410423.db2.gz WQICRCOPYTWOMX-XHNCKOQMSA-N 1 1 305.346 -1.050 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972404553 662414713 /nfs/dbraw/zinc/41/47/13/662414713.db2.gz GNBRBLKPTIVTKJ-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972404553 662414714 /nfs/dbraw/zinc/41/47/14/662414714.db2.gz GNBRBLKPTIVTKJ-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972424596 662415166 /nfs/dbraw/zinc/41/51/66/662415166.db2.gz KKAMTSWUEOFPNJ-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972424596 662415167 /nfs/dbraw/zinc/41/51/67/662415167.db2.gz KKAMTSWUEOFPNJ-DOMZBBRYSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972419779 662415374 /nfs/dbraw/zinc/41/53/74/662415374.db2.gz JEDCVDPHWKZSJY-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972419779 662415376 /nfs/dbraw/zinc/41/53/76/662415376.db2.gz JEDCVDPHWKZSJY-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1 ZINC001022889928 662415465 /nfs/dbraw/zinc/41/54/65/662415465.db2.gz HDWSRZIGEILQDH-MXWKQRLJSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)C1 ZINC001022889928 662415467 /nfs/dbraw/zinc/41/54/67/662415467.db2.gz HDWSRZIGEILQDH-MXWKQRLJSA-N 1 1 317.361 -1.247 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC000972441230 662415760 /nfs/dbraw/zinc/41/57/60/662415760.db2.gz PNBUEBWBWLICHP-CQSZACIVSA-N 1 1 309.370 -1.095 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1 ZINC001022898626 662415987 /nfs/dbraw/zinc/41/59/87/662415987.db2.gz HNMBOAUDBCBSNE-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1 ZINC001022898626 662415989 /nfs/dbraw/zinc/41/59/89/662415989.db2.gz HNMBOAUDBCBSNE-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000972472448 662418072 /nfs/dbraw/zinc/41/80/72/662418072.db2.gz OCECZDUBRXDOAB-QWRGUYRKSA-N 1 1 324.381 -1.389 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)ncc1=O ZINC000972471345 662418538 /nfs/dbraw/zinc/41/85/38/662418538.db2.gz IYGMTGWZAUJMPU-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)ncc1=O ZINC000972471345 662418546 /nfs/dbraw/zinc/41/85/46/662418546.db2.gz IYGMTGWZAUJMPU-HNNXBMFYSA-N 1 1 322.365 -1.311 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000972472447 662418820 /nfs/dbraw/zinc/41/88/20/662418820.db2.gz OCECZDUBRXDOAB-MNOVXSKESA-N 1 1 324.381 -1.389 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@H+](C)CCF)C2)C1=O ZINC000972474084 662419287 /nfs/dbraw/zinc/41/92/87/662419287.db2.gz YUZMSUQINPPACV-VIFPVBQESA-N 1 1 314.317 -1.091 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@@H+](C)CCF)C2)C1=O ZINC000972474084 662419292 /nfs/dbraw/zinc/41/92/92/662419292.db2.gz YUZMSUQINPPACV-VIFPVBQESA-N 1 1 314.317 -1.091 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001011239718 662420099 /nfs/dbraw/zinc/42/00/99/662420099.db2.gz CYRUIWALYINLOW-MNOVXSKESA-N 1 1 310.354 -1.994 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001011239717 662420249 /nfs/dbraw/zinc/42/02/49/662420249.db2.gz CYRUIWALYINLOW-GHMZBOCLSA-N 1 1 310.354 -1.994 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001023012666 662423233 /nfs/dbraw/zinc/42/32/33/662423233.db2.gz XTMKMEAKIXNAIM-GMTAPVOTSA-N 1 1 323.357 -2.687 20 0 DAADMO CN1CCN(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1=O ZINC000888986791 662425462 /nfs/dbraw/zinc/42/54/62/662425462.db2.gz UZDLZASZXBHPPF-UHFFFAOYSA-N 1 1 311.430 -1.534 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001023064992 662427261 /nfs/dbraw/zinc/42/72/61/662427261.db2.gz XIGNPPPAVKBEOU-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023069218 662427728 /nfs/dbraw/zinc/42/77/28/662427728.db2.gz YUZLZKBGFUPSDE-DTORHVGOSA-N 1 1 307.310 -1.045 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)C1=O ZINC000972507236 662427912 /nfs/dbraw/zinc/42/79/12/662427912.db2.gz YNLXXXXRARASOV-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)C1=O ZINC000972507236 662427913 /nfs/dbraw/zinc/42/79/13/662427913.db2.gz YNLXXXXRARASOV-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254233 662427997 /nfs/dbraw/zinc/42/79/97/662427997.db2.gz ICVROAKWUQDAFP-GHMZBOCLSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254233 662428002 /nfs/dbraw/zinc/42/80/02/662428002.db2.gz ICVROAKWUQDAFP-GHMZBOCLSA-N 1 1 307.354 -1.055 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)nn1 ZINC001023130155 662432924 /nfs/dbraw/zinc/43/29/24/662432924.db2.gz CGWJYTAGOAOXFE-AOOOYVTPSA-N 1 1 319.325 -1.198 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)[nH]n1 ZINC001023144096 662433509 /nfs/dbraw/zinc/43/35/09/662433509.db2.gz FOHBFBXROXCDSC-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972520270 662433742 /nfs/dbraw/zinc/43/37/42/662433742.db2.gz RKPCRSHPAVXXBV-DOMZBBRYSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972520270 662433744 /nfs/dbraw/zinc/43/37/44/662433744.db2.gz RKPCRSHPAVXXBV-DOMZBBRYSA-N 1 1 311.382 -1.097 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888989634 662433836 /nfs/dbraw/zinc/43/38/36/662433836.db2.gz TUXHWFNSJOHNCQ-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972525163 662437484 /nfs/dbraw/zinc/43/74/84/662437484.db2.gz ZHWGWWZDDPRSLV-AWEZNQCLSA-N 1 1 308.338 -1.321 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972525163 662437485 /nfs/dbraw/zinc/43/74/85/662437485.db2.gz ZHWGWWZDDPRSLV-AWEZNQCLSA-N 1 1 308.338 -1.321 20 0 DAADMO COCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000972525778 662437857 /nfs/dbraw/zinc/43/78/57/662437857.db2.gz CGESQCAIIVHYIE-BXUZGUMPSA-N 1 1 312.370 -1.383 20 0 DAADMO COCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000972525778 662437860 /nfs/dbraw/zinc/43/78/60/662437860.db2.gz CGESQCAIIVHYIE-BXUZGUMPSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001023191912 662438409 /nfs/dbraw/zinc/43/84/09/662438409.db2.gz AVFSUTKOULYGGC-FRRDWIJNSA-N 1 1 321.381 -1.184 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526128 662438659 /nfs/dbraw/zinc/43/86/59/662438659.db2.gz BQJIDYORSSVKMZ-NXEZZACHSA-N 1 1 318.399 -1.962 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526128 662438660 /nfs/dbraw/zinc/43/86/60/662438660.db2.gz BQJIDYORSSVKMZ-NXEZZACHSA-N 1 1 318.399 -1.962 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972526652 662438996 /nfs/dbraw/zinc/43/89/96/662438996.db2.gz LWSRCKOKXVODPB-BXUZGUMPSA-N 1 1 312.370 -1.647 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972526652 662439000 /nfs/dbraw/zinc/43/90/00/662439000.db2.gz LWSRCKOKXVODPB-BXUZGUMPSA-N 1 1 312.370 -1.647 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023195296 662439135 /nfs/dbraw/zinc/43/91/35/662439135.db2.gz NUVRPSJXZVCFNJ-YUSALJHKSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)C1 ZINC001023195296 662439136 /nfs/dbraw/zinc/43/91/36/662439136.db2.gz NUVRPSJXZVCFNJ-YUSALJHKSA-N 1 1 324.337 -1.693 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526133 662439141 /nfs/dbraw/zinc/43/91/41/662439141.db2.gz BQJIDYORSSVKMZ-VHSXEESVSA-N 1 1 318.399 -1.962 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)S1(=O)=O ZINC000972526133 662439144 /nfs/dbraw/zinc/43/91/44/662439144.db2.gz BQJIDYORSSVKMZ-VHSXEESVSA-N 1 1 318.399 -1.962 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC000972526785 662440149 /nfs/dbraw/zinc/44/01/49/662440149.db2.gz LEZQJFBQMPNWIP-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)[nH]1 ZINC001023206495 662440429 /nfs/dbraw/zinc/44/04/29/662440429.db2.gz UECYZUDQWGLICU-CYZMBNFOSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1cc(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 ZINC000972527292 662440517 /nfs/dbraw/zinc/44/05/17/662440517.db2.gz SWVIQQKEECGCFU-HNNXBMFYSA-N 1 1 321.381 -1.249 20 0 DAADMO Cn1cc(CC[N@H+]2CCO[C@@]3(CCN(C(=O)C(N)=O)C3)C2)cn1 ZINC000972527292 662440522 /nfs/dbraw/zinc/44/05/22/662440522.db2.gz SWVIQQKEECGCFU-HNNXBMFYSA-N 1 1 321.381 -1.249 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001023203137 662440793 /nfs/dbraw/zinc/44/07/93/662440793.db2.gz XHRVAPPAFHWGSJ-DDHJBXDOSA-N 1 1 324.381 -1.953 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O ZINC001023212619 662441286 /nfs/dbraw/zinc/44/12/86/662441286.db2.gz KNSKSYBSZSEJLR-OUAUKWLOSA-N 1 1 307.354 -1.195 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023212978 662441323 /nfs/dbraw/zinc/44/13/23/662441323.db2.gz WLSVXLJKQCFHEX-CKYFFXLPSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001023208529 662441349 /nfs/dbraw/zinc/44/13/49/662441349.db2.gz SHKDLTMOKFKCDV-LEZGYBIHSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1O ZINC001023212474 662441400 /nfs/dbraw/zinc/44/14/00/662441400.db2.gz GEGMZDKECQLTPJ-GRYCIOLGSA-N 1 1 313.398 -1.071 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1O ZINC001023208902 662441884 /nfs/dbraw/zinc/44/18/84/662441884.db2.gz ZOEXCEFSUNXTQI-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O ZINC001023216595 662441950 /nfs/dbraw/zinc/44/19/50/662441950.db2.gz IRJSDKFALXGFIY-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1O ZINC001023214074 662442415 /nfs/dbraw/zinc/44/24/15/662442415.db2.gz BOHDXKPEYLUCEA-OUAUKWLOSA-N 1 1 322.369 -1.871 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001023244211 662443624 /nfs/dbraw/zinc/44/36/24/662443624.db2.gz DOISJNIJJGKTIK-VXGBXAGGSA-N 1 1 319.321 -1.129 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2O)C1 ZINC001023281598 662444457 /nfs/dbraw/zinc/44/44/57/662444457.db2.gz MKFHTVFJCSWUGP-GMJRGKAPSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@H]2O)C1 ZINC001023281598 662444459 /nfs/dbraw/zinc/44/44/59/662444459.db2.gz MKFHTVFJCSWUGP-GMJRGKAPSA-N 1 1 323.393 -1.029 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023281073 662444506 /nfs/dbraw/zinc/44/45/06/662444506.db2.gz CZTSTKGNYKKEBT-NKJQVROLSA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023281073 662444508 /nfs/dbraw/zinc/44/45/08/662444508.db2.gz CZTSTKGNYKKEBT-NKJQVROLSA-N 1 1 311.382 -1.029 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023279438 662444564 /nfs/dbraw/zinc/44/45/64/662444564.db2.gz SXJUYMMSONOIKE-MXWKQRLJSA-N 1 1 317.411 -1.632 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023279438 662444567 /nfs/dbraw/zinc/44/45/67/662444567.db2.gz SXJUYMMSONOIKE-MXWKQRLJSA-N 1 1 317.411 -1.632 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)C1 ZINC001023281858 662444723 /nfs/dbraw/zinc/44/47/23/662444723.db2.gz OYRXVTOIIPJIKQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)C1 ZINC001023281858 662444724 /nfs/dbraw/zinc/44/47/24/662444724.db2.gz OYRXVTOIIPJIKQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2O)C1 ZINC001023279073 662444790 /nfs/dbraw/zinc/44/47/90/662444790.db2.gz MNHMAVSXQAUJIF-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@H]2O)C1 ZINC001023279073 662444792 /nfs/dbraw/zinc/44/47/92/662444792.db2.gz MNHMAVSXQAUJIF-BBBLOLIVSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2O)C1 ZINC001023281599 662444806 /nfs/dbraw/zinc/44/48/06/662444806.db2.gz MKFHTVFJCSWUGP-KMOUYIMBSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@H]2O)C1 ZINC001023281599 662444810 /nfs/dbraw/zinc/44/48/10/662444810.db2.gz MKFHTVFJCSWUGP-KMOUYIMBSA-N 1 1 323.393 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972541661 662444856 /nfs/dbraw/zinc/44/48/56/662444856.db2.gz QULNOGMKLMJORA-GHMZBOCLSA-N 1 1 324.381 -1.164 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023284166 662444893 /nfs/dbraw/zinc/44/48/93/662444893.db2.gz BBPICTFQRITGNS-MXWKQRLJSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001023284166 662444895 /nfs/dbraw/zinc/44/48/95/662444895.db2.gz BBPICTFQRITGNS-MXWKQRLJSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023279231 662444977 /nfs/dbraw/zinc/44/49/77/662444977.db2.gz OMQVMKCSSKTDHH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2O)C1 ZINC001023279231 662444980 /nfs/dbraw/zinc/44/49/80/662444980.db2.gz OMQVMKCSSKTDHH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000972545522 662445483 /nfs/dbraw/zinc/44/54/83/662445483.db2.gz RQSNLYKVDGVNRW-MWLCHTKSSA-N 1 1 320.353 -1.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)C1 ZINC001023282360 662445664 /nfs/dbraw/zinc/44/56/64/662445664.db2.gz BQMWZYTVEBATSS-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)C1 ZINC001023282360 662445665 /nfs/dbraw/zinc/44/56/65/662445665.db2.gz BQMWZYTVEBATSS-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)c1 ZINC001023401549 662447600 /nfs/dbraw/zinc/44/76/00/662447600.db2.gz LPKTVUUIQTYBJM-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cncnc3)C2)C1 ZINC001023485249 662450066 /nfs/dbraw/zinc/45/00/66/662450066.db2.gz JQIUCCNGHIMHTN-RAIGVLPGSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)c2nc[nH]n2)C1)[C@H]1CCC(=O)NC1=O ZINC000972579681 662450441 /nfs/dbraw/zinc/45/04/41/662450441.db2.gz QZKQJZHXUJRPCI-IUCAKERBSA-N 1 1 306.326 -1.244 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000972581281 662450590 /nfs/dbraw/zinc/45/05/90/662450590.db2.gz KOVCEKVPJBUICS-SECBINFHSA-N 1 1 322.325 -1.232 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)c2nc[nH]n2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972579680 662450611 /nfs/dbraw/zinc/45/06/11/662450611.db2.gz QZKQJZHXUJRPCI-DTWKUNHWSA-N 1 1 306.326 -1.244 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)ncc1=O ZINC001023500417 662450776 /nfs/dbraw/zinc/45/07/76/662450776.db2.gz TXRDDHLQIGFLRF-SNVBAGLBSA-N 1 1 307.354 -1.293 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540060 662450993 /nfs/dbraw/zinc/45/09/93/662450993.db2.gz BULUNSPJUNUNNG-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540581 662451005 /nfs/dbraw/zinc/45/10/05/662451005.db2.gz HIMQMTQGKLMBBF-UWVGGRQHSA-N 1 1 309.374 -1.084 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001023540216 662451239 /nfs/dbraw/zinc/45/12/39/662451239.db2.gz DSERZHQXFYNKPW-VHSXEESVSA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001023541537 662451524 /nfs/dbraw/zinc/45/15/24/662451524.db2.gz OFJXELZHJFPVKS-GHMZBOCLSA-N 1 1 321.385 -1.070 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001023541820 662451632 /nfs/dbraw/zinc/45/16/32/662451632.db2.gz RXDTUERZCBQFKD-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001023543569 662451671 /nfs/dbraw/zinc/45/16/71/662451671.db2.gz MHGCESVNEBSDON-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001023543569 662451673 /nfs/dbraw/zinc/45/16/73/662451673.db2.gz MHGCESVNEBSDON-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001023561046 662452027 /nfs/dbraw/zinc/45/20/27/662452027.db2.gz WUGRUXPNTMPPPS-SNVBAGLBSA-N 1 1 307.354 -1.042 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001023567054 662452900 /nfs/dbraw/zinc/45/29/00/662452900.db2.gz SRJVLROOGLGVBK-PWSUYJOCSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566845 662452989 /nfs/dbraw/zinc/45/29/89/662452989.db2.gz RXNJYWUIVAQRDO-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001023566131 662453285 /nfs/dbraw/zinc/45/32/85/662453285.db2.gz JMHBZTAAMPNFMY-RYUDHWBXSA-N 1 1 321.385 -1.212 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCn2cnnn2)C1)[C@H]1CCNC1=O ZINC000972606562 662455298 /nfs/dbraw/zinc/45/52/98/662455298.db2.gz LCXGXAWBBZAFMC-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611738 662455352 /nfs/dbraw/zinc/45/53/52/662455352.db2.gz LYPFFFVBDLDKJK-GXTWGEPZSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611738 662455354 /nfs/dbraw/zinc/45/53/54/662455354.db2.gz LYPFFFVBDLDKJK-GXTWGEPZSA-N 1 1 324.385 -1.253 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001023626287 662455755 /nfs/dbraw/zinc/45/57/55/662455755.db2.gz YIJSOEIZIWLQKY-LLVKDONJSA-N 1 1 324.381 -1.482 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001023645037 662456613 /nfs/dbraw/zinc/45/66/13/662456613.db2.gz VWKACXCHMFICJI-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023644573 662456851 /nfs/dbraw/zinc/45/68/51/662456851.db2.gz NOWKCSWMLSADBC-NXEZZACHSA-N 1 1 324.381 -1.259 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648168 662457076 /nfs/dbraw/zinc/45/70/76/662457076.db2.gz SEOJHNWMCYYMRP-SECBINFHSA-N 1 1 310.354 -1.647 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648168 662457081 /nfs/dbraw/zinc/45/70/81/662457081.db2.gz SEOJHNWMCYYMRP-SECBINFHSA-N 1 1 310.354 -1.647 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001023743918 662457787 /nfs/dbraw/zinc/45/77/87/662457787.db2.gz IGFLECZXCZRWPP-SNVBAGLBSA-N 1 1 310.354 -1.080 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000972668151 662458182 /nfs/dbraw/zinc/45/81/82/662458182.db2.gz UVPJJHQHYPLUTG-CQSZACIVSA-N 1 1 310.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753480 662458207 /nfs/dbraw/zinc/45/82/07/662458207.db2.gz HAQKWPSVPXZAOZ-NXEZZACHSA-N 1 1 318.399 -2.008 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753480 662458209 /nfs/dbraw/zinc/45/82/09/662458209.db2.gz HAQKWPSVPXZAOZ-NXEZZACHSA-N 1 1 318.399 -2.008 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001023753570 662458258 /nfs/dbraw/zinc/45/82/58/662458258.db2.gz IZOCJBUYAGJXMV-RYUDHWBXSA-N 1 1 319.427 -1.111 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000972668149 662458788 /nfs/dbraw/zinc/45/87/88/662458788.db2.gz UVPJJHQHYPLUTG-AWEZNQCLSA-N 1 1 310.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753482 662458803 /nfs/dbraw/zinc/45/88/03/662458803.db2.gz HAQKWPSVPXZAOZ-VHSXEESVSA-N 1 1 318.399 -2.008 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001023753482 662458804 /nfs/dbraw/zinc/45/88/04/662458804.db2.gz HAQKWPSVPXZAOZ-VHSXEESVSA-N 1 1 318.399 -2.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@H]2O)C1 ZINC001023782026 662459118 /nfs/dbraw/zinc/45/91/18/662459118.db2.gz BEJAVZJXAAFTQA-CKYFFXLPSA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023782384 662459120 /nfs/dbraw/zinc/45/91/20/662459120.db2.gz MIZGIYLJDNSUEP-HBNTYKKESA-N 1 1 322.369 -1.932 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)CN(CC(N)=O)CCO2 ZINC000972675897 662459175 /nfs/dbraw/zinc/45/91/75/662459175.db2.gz FSKRPTZVQGSFDC-HNNXBMFYSA-N 1 1 321.381 -1.020 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023782130 662459277 /nfs/dbraw/zinc/45/92/77/662459277.db2.gz FBJGULDMPWQDQR-HOSYDEDBSA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023782071 662459467 /nfs/dbraw/zinc/45/94/67/662459467.db2.gz CFFWGXGDNNFROY-CYZMBNFOSA-N 1 1 321.381 -1.327 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972681099 662459536 /nfs/dbraw/zinc/45/95/36/662459536.db2.gz RTQQOJNONPWTGV-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972683585 662459622 /nfs/dbraw/zinc/45/96/22/662459622.db2.gz KDSXRVAVNBNFBO-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972683585 662459627 /nfs/dbraw/zinc/45/96/27/662459627.db2.gz KDSXRVAVNBNFBO-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023782744 662460087 /nfs/dbraw/zinc/46/00/87/662460087.db2.gz YXUCWNLTPCESSP-CKYFFXLPSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023795120 662460443 /nfs/dbraw/zinc/46/04/43/662460443.db2.gz AAHQGGAZQNNAST-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)C1 ZINC001023795120 662460446 /nfs/dbraw/zinc/46/04/46/662460446.db2.gz AAHQGGAZQNNAST-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)C1 ZINC001023795120 662460448 /nfs/dbraw/zinc/46/04/48/662460448.db2.gz AAHQGGAZQNNAST-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000972690539 662460540 /nfs/dbraw/zinc/46/05/40/662460540.db2.gz KOTDOTTVQZXLIH-QWRGUYRKSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000972690539 662460544 /nfs/dbraw/zinc/46/05/44/662460544.db2.gz KOTDOTTVQZXLIH-QWRGUYRKSA-N 1 1 322.369 -1.129 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)nn1 ZINC000947301109 662460613 /nfs/dbraw/zinc/46/06/13/662460613.db2.gz NZERFQUUNFHZSL-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)nn1 ZINC000947301109 662460614 /nfs/dbraw/zinc/46/06/14/662460614.db2.gz NZERFQUUNFHZSL-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023793810 662460931 /nfs/dbraw/zinc/46/09/31/662460931.db2.gz RPFUPEFVWZUZAW-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001023793810 662460933 /nfs/dbraw/zinc/46/09/33/662460933.db2.gz RPFUPEFVWZUZAW-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000972690538 662460979 /nfs/dbraw/zinc/46/09/79/662460979.db2.gz KOTDOTTVQZXLIH-MNOVXSKESA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC000972690538 662460980 /nfs/dbraw/zinc/46/09/80/662460980.db2.gz KOTDOTTVQZXLIH-MNOVXSKESA-N 1 1 322.369 -1.129 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC001023828199 662461181 /nfs/dbraw/zinc/46/11/81/662461181.db2.gz AYMDCZFAUKQUDG-SNVBAGLBSA-N 1 1 320.361 -1.775 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O ZINC001023799524 662461212 /nfs/dbraw/zinc/46/12/12/662461212.db2.gz FFOIPVCNIQCTLO-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1O ZINC001023799524 662461215 /nfs/dbraw/zinc/46/12/15/662461215.db2.gz FFOIPVCNIQCTLO-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023892780 662464023 /nfs/dbraw/zinc/46/40/23/662464023.db2.gz WFASMEMLOIADDP-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC001023894630 662464265 /nfs/dbraw/zinc/46/42/65/662464265.db2.gz WWWQKTYSXZWBNJ-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000972717509 662464896 /nfs/dbraw/zinc/46/48/96/662464896.db2.gz HGSKILRLJLMVFC-ZJUUUORDSA-N 1 1 306.370 -1.072 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000972717509 662464898 /nfs/dbraw/zinc/46/48/98/662464898.db2.gz HGSKILRLJLMVFC-ZJUUUORDSA-N 1 1 306.370 -1.072 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2O)n1 ZINC001023919766 662464902 /nfs/dbraw/zinc/46/49/02/662464902.db2.gz ZZJJUUUYWXPFPR-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3cnnn3C)C2)n1 ZINC001023965223 662465222 /nfs/dbraw/zinc/46/52/22/662465222.db2.gz DVTKHJVYYLVSOZ-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1=O ZINC000972716915 662465250 /nfs/dbraw/zinc/46/52/50/662465250.db2.gz CDUKLENKLZFGIR-SECBINFHSA-N 1 1 311.342 -2.102 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1=O ZINC000972716915 662465255 /nfs/dbraw/zinc/46/52/55/662465255.db2.gz CDUKLENKLZFGIR-SECBINFHSA-N 1 1 311.342 -2.102 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)CC[N@H+]1C ZINC001023972414 662465589 /nfs/dbraw/zinc/46/55/89/662465589.db2.gz RWFQXNLOTIZPSV-GWOFURMSSA-N 1 1 322.369 -1.554 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001023973229 662465705 /nfs/dbraw/zinc/46/57/05/662465705.db2.gz ICJTVGVZOXZRJN-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023998628 662466382 /nfs/dbraw/zinc/46/63/82/662466382.db2.gz MHIQSKREDHJOAQ-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023998628 662466388 /nfs/dbraw/zinc/46/63/88/662466388.db2.gz MHIQSKREDHJOAQ-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)C1 ZINC001023999401 662466592 /nfs/dbraw/zinc/46/65/92/662466592.db2.gz VRJTXDHGLPBMKC-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)C1 ZINC001023999401 662466598 /nfs/dbraw/zinc/46/65/98/662466598.db2.gz VRJTXDHGLPBMKC-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795295 662467607 /nfs/dbraw/zinc/46/76/07/662467607.db2.gz YYGPESBOIJPOJA-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795295 662467613 /nfs/dbraw/zinc/46/76/13/662467613.db2.gz YYGPESBOIJPOJA-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794240 662467701 /nfs/dbraw/zinc/46/77/01/662467701.db2.gz NQIKJLCRLHRSCB-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794240 662467702 /nfs/dbraw/zinc/46/77/02/662467702.db2.gz NQIKJLCRLHRSCB-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794237 662467706 /nfs/dbraw/zinc/46/77/06/662467706.db2.gz NQIKJLCRLHRSCB-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794237 662467708 /nfs/dbraw/zinc/46/77/08/662467708.db2.gz NQIKJLCRLHRSCB-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794947 662467778 /nfs/dbraw/zinc/46/77/78/662467778.db2.gz VNCCZTJOYDBNAI-VHSXEESVSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794947 662467781 /nfs/dbraw/zinc/46/77/81/662467781.db2.gz VNCCZTJOYDBNAI-VHSXEESVSA-N 1 1 307.358 -1.612 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799504 662468080 /nfs/dbraw/zinc/46/80/80/662468080.db2.gz DOQGLZXOMGIWLO-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972799504 662468081 /nfs/dbraw/zinc/46/80/81/662468081.db2.gz DOQGLZXOMGIWLO-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794461 662468090 /nfs/dbraw/zinc/46/80/90/662468090.db2.gz QDVQQMCSLGGZOT-LLVKDONJSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794461 662468091 /nfs/dbraw/zinc/46/80/91/662468091.db2.gz QDVQQMCSLGGZOT-LLVKDONJSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024137284 662469463 /nfs/dbraw/zinc/46/94/63/662469463.db2.gz KOERUXIQYARUCV-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001024128996 662469652 /nfs/dbraw/zinc/46/96/52/662469652.db2.gz HXZCIWCBINNRMW-NXEZZACHSA-N 1 1 322.373 -1.780 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001024203083 662470748 /nfs/dbraw/zinc/47/07/48/662470748.db2.gz NHNMPWCSEBPIHI-SECBINFHSA-N 1 1 305.346 -1.030 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001024386878 662472944 /nfs/dbraw/zinc/47/29/44/662472944.db2.gz CWFJFWXOFYAAKH-DDHJBXDOSA-N 1 1 315.370 -1.960 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001024386878 662472945 /nfs/dbraw/zinc/47/29/45/662472945.db2.gz CWFJFWXOFYAAKH-DDHJBXDOSA-N 1 1 315.370 -1.960 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024465006 662474326 /nfs/dbraw/zinc/47/43/26/662474326.db2.gz COWIRPLBCNTFJE-NTZNESFSSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001024503940 662474860 /nfs/dbraw/zinc/47/48/60/662474860.db2.gz LZEXEAYJVNFCAX-IJLUTSLNSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001024497327 662475017 /nfs/dbraw/zinc/47/50/17/662475017.db2.gz KUWXRBYEPLVRHO-IJLUTSLNSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024497420 662475371 /nfs/dbraw/zinc/47/53/71/662475371.db2.gz NFZBRQQAYUVRLI-GMTAPVOTSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001024497420 662475374 /nfs/dbraw/zinc/47/53/74/662475374.db2.gz NFZBRQQAYUVRLI-GMTAPVOTSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024499646 662475394 /nfs/dbraw/zinc/47/53/94/662475394.db2.gz VIXIUBGPOPBQOI-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001024497326 662475405 /nfs/dbraw/zinc/47/54/05/662475405.db2.gz KUWXRBYEPLVRHO-GRYCIOLGSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024545417 662476558 /nfs/dbraw/zinc/47/65/58/662476558.db2.gz SOPZVEFUTRRXLS-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024545417 662476559 /nfs/dbraw/zinc/47/65/59/662476559.db2.gz SOPZVEFUTRRXLS-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024545417 662476561 /nfs/dbraw/zinc/47/65/61/662476561.db2.gz SOPZVEFUTRRXLS-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)C1CC1 ZINC001024549351 662477092 /nfs/dbraw/zinc/47/70/92/662477092.db2.gz CKEQKCRHSSZDDO-UTUOFQBUSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC001024548547 662477329 /nfs/dbraw/zinc/47/73/29/662477329.db2.gz ZARIUAVKOITTJF-VXGBXAGGSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947619378 662478778 /nfs/dbraw/zinc/47/87/78/662478778.db2.gz HOSGRMQFHAYFBW-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947619378 662478780 /nfs/dbraw/zinc/47/87/80/662478780.db2.gz HOSGRMQFHAYFBW-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024570322 662479008 /nfs/dbraw/zinc/47/90/08/662479008.db2.gz PIIYOZHWEFUZFY-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000935498537 662479503 /nfs/dbraw/zinc/47/95/03/662479503.db2.gz HEWYUBUOHOYQLU-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000935498537 662479508 /nfs/dbraw/zinc/47/95/08/662479508.db2.gz HEWYUBUOHOYQLU-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001024628976 662480002 /nfs/dbraw/zinc/48/00/02/662480002.db2.gz XCUONDDRRKISLG-RYUDHWBXSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001024628976 662480003 /nfs/dbraw/zinc/48/00/03/662480003.db2.gz XCUONDDRRKISLG-RYUDHWBXSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001024628978 662480231 /nfs/dbraw/zinc/48/02/31/662480231.db2.gz XCUONDDRRKISLG-VXGBXAGGSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001024628978 662480233 /nfs/dbraw/zinc/48/02/33/662480233.db2.gz XCUONDDRRKISLG-VXGBXAGGSA-N 1 1 323.397 -1.083 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001024652249 662480517 /nfs/dbraw/zinc/48/05/17/662480517.db2.gz XASLGYZGZPORLR-IJLUTSLNSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001024654164 662480986 /nfs/dbraw/zinc/48/09/86/662480986.db2.gz XASLGYZGZPORLR-GRYCIOLGSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001024660533 662481144 /nfs/dbraw/zinc/48/11/44/662481144.db2.gz UOAUOUQICFVAHY-YUSALJHKSA-N 1 1 322.369 -1.932 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000972951541 662483466 /nfs/dbraw/zinc/48/34/66/662483466.db2.gz AFJOEWXITHNOTE-DDHJBXDOSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000972951504 662483473 /nfs/dbraw/zinc/48/34/73/662483473.db2.gz YYMADOBJSGMYNI-DCAQKATOSA-N 1 1 307.358 -1.612 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972951652 662483566 /nfs/dbraw/zinc/48/35/66/662483566.db2.gz FHYZLMRILXMZIY-XYPYZODXSA-N 1 1 318.341 -1.358 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)CC1=O ZINC001038313724 662483581 /nfs/dbraw/zinc/48/35/81/662483581.db2.gz XVYKOKSVDUIJRJ-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)CC1=O ZINC001038313724 662483586 /nfs/dbraw/zinc/48/35/86/662483586.db2.gz XVYKOKSVDUIJRJ-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)C1 ZINC001024774629 662483737 /nfs/dbraw/zinc/48/37/37/662483737.db2.gz OHFMLUTYNSBSLO-MVWJERBFSA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001024775247 662484364 /nfs/dbraw/zinc/48/43/64/662484364.db2.gz XUHNYTLHBLZBNU-GMTAPVOTSA-N 1 1 312.370 -2.109 20 0 DAADMO COCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812213 662484789 /nfs/dbraw/zinc/48/47/89/662484789.db2.gz LGNIFBMQPSSLIZ-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)nn1 ZINC001024814955 662484832 /nfs/dbraw/zinc/48/48/32/662484832.db2.gz YXWHRZSZSBSLEX-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024813315 662485004 /nfs/dbraw/zinc/48/50/04/662485004.db2.gz YYIFRGOWCYKPJW-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024853065 662485902 /nfs/dbraw/zinc/48/59/02/662485902.db2.gz WNGHWSFGJKTGRK-HBNTYKKESA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024848139 662486016 /nfs/dbraw/zinc/48/60/16/662486016.db2.gz WJXJBDQMNFIMQL-FOGDFJRCSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024848139 662486017 /nfs/dbraw/zinc/48/60/17/662486017.db2.gz WJXJBDQMNFIMQL-FOGDFJRCSA-N 1 1 324.337 -1.693 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)O1 ZINC000947251610 662488772 /nfs/dbraw/zinc/48/87/72/662488772.db2.gz UBJULCISSQOJSF-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)O1 ZINC000947251610 662488775 /nfs/dbraw/zinc/48/87/75/662488775.db2.gz UBJULCISSQOJSF-MWLCHTKSSA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024985252 662488934 /nfs/dbraw/zinc/48/89/34/662488934.db2.gz AWXODDVMGPWXFR-OUAUKWLOSA-N 1 1 322.369 -1.491 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024988857 662489111 /nfs/dbraw/zinc/48/91/11/662489111.db2.gz QTCLQWGHYBDNBA-HBNTYKKESA-N 1 1 322.369 -1.634 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1O ZINC001025017183 662491231 /nfs/dbraw/zinc/49/12/31/662491231.db2.gz CYWUTMKGLMINSX-FDYHWXHSSA-N 1 1 311.382 -1.053 20 0 DAADMO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC001025061569 662493988 /nfs/dbraw/zinc/49/39/88/662493988.db2.gz CIUNCFPSRUKVHQ-SNVBAGLBSA-N 1 1 322.369 -1.236 20 0 DAADMO NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001025062669 662494197 /nfs/dbraw/zinc/49/41/97/662494197.db2.gz WMLHFWYIKRPDDG-SNVBAGLBSA-N 1 1 307.358 -1.036 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001025084525 662495394 /nfs/dbraw/zinc/49/53/94/662495394.db2.gz ZPEZOQXYOKUZLX-MXWKQRLJSA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001025105466 662496176 /nfs/dbraw/zinc/49/61/76/662496176.db2.gz HMMQBOCAPONVDQ-GMTAPVOTSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)CC1 ZINC001025109449 662497866 /nfs/dbraw/zinc/49/78/66/662497866.db2.gz DBGIBOBNDCVODI-GHMZBOCLSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)CC1 ZINC001025109449 662497867 /nfs/dbraw/zinc/49/78/67/662497867.db2.gz DBGIBOBNDCVODI-GHMZBOCLSA-N 1 1 322.369 -1.552 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1ncn[nH]1 ZINC001025107853 662497944 /nfs/dbraw/zinc/49/79/44/662497944.db2.gz DDGTUXAZYBCUGC-NXEZZACHSA-N 1 1 320.353 -1.798 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)c1nc[nH]n1 ZINC001025107853 662497947 /nfs/dbraw/zinc/49/79/47/662497947.db2.gz DDGTUXAZYBCUGC-NXEZZACHSA-N 1 1 320.353 -1.798 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025110713 662498373 /nfs/dbraw/zinc/49/83/73/662498373.db2.gz LMEKIWCVVAPOPZ-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110713 662498376 /nfs/dbraw/zinc/49/83/76/662498376.db2.gz LMEKIWCVVAPOPZ-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025110713 662498378 /nfs/dbraw/zinc/49/83/78/662498378.db2.gz LMEKIWCVVAPOPZ-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110713 662498382 /nfs/dbraw/zinc/49/83/82/662498382.db2.gz LMEKIWCVVAPOPZ-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025110713 662498386 /nfs/dbraw/zinc/49/83/86/662498386.db2.gz LMEKIWCVVAPOPZ-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348840 662499329 /nfs/dbraw/zinc/49/93/29/662499329.db2.gz JHFQNZRKFOJDSG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348840 662499330 /nfs/dbraw/zinc/49/93/30/662499330.db2.gz JHFQNZRKFOJDSG-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001025127692 662500105 /nfs/dbraw/zinc/50/01/05/662500105.db2.gz KUFCAIXINJQAHQ-OPRDCNLKSA-N 1 1 323.357 -2.394 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001025146889 662501652 /nfs/dbraw/zinc/50/16/52/662501652.db2.gz OAQYGBMBPRTUCF-PRSXHHODSA-N 1 1 323.393 -1.482 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001025143155 662501669 /nfs/dbraw/zinc/50/16/69/662501669.db2.gz YTFSARKCKUWGRK-WZBKEBKWSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973098529 662501793 /nfs/dbraw/zinc/50/17/93/662501793.db2.gz BQAOSDBTVBIVBE-DDHJBXDOSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973098529 662501794 /nfs/dbraw/zinc/50/17/94/662501794.db2.gz BQAOSDBTVBIVBE-DDHJBXDOSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973101983 662502318 /nfs/dbraw/zinc/50/23/18/662502318.db2.gz HIFAUPCVFAKPSI-DDHJBXDOSA-N 1 1 308.382 -1.020 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973130674 662503643 /nfs/dbraw/zinc/50/36/43/662503643.db2.gz VXKYTWOTJYHCMY-DCAQKATOSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973130674 662503645 /nfs/dbraw/zinc/50/36/45/662503645.db2.gz VXKYTWOTJYHCMY-DCAQKATOSA-N 1 1 322.369 -1.477 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC[N@H+]1C ZINC001025216500 662503720 /nfs/dbraw/zinc/50/37/20/662503720.db2.gz LJJBRZQTFVAWQQ-UKKRHICBSA-N 1 1 312.370 -2.110 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504445 662503813 /nfs/dbraw/zinc/50/38/13/662503813.db2.gz JDYAWHLLSHUMKX-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504445 662503815 /nfs/dbraw/zinc/50/38/15/662503815.db2.gz JDYAWHLLSHUMKX-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973130675 662503830 /nfs/dbraw/zinc/50/38/30/662503830.db2.gz VXKYTWOTJYHCMY-GMTAPVOTSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973130675 662503831 /nfs/dbraw/zinc/50/38/31/662503831.db2.gz VXKYTWOTJYHCMY-GMTAPVOTSA-N 1 1 322.369 -1.477 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)CC[N@H+]1C ZINC001025246226 662506048 /nfs/dbraw/zinc/50/60/48/662506048.db2.gz CUMVXVHNJRQUSO-CNVPUSNMSA-N 1 1 323.353 -1.289 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025245641 662506360 /nfs/dbraw/zinc/50/63/60/662506360.db2.gz ZQGMUWFLNHXMTD-JMJZKYOTSA-N 1 1 309.326 -1.677 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 ZINC001025254671 662507137 /nfs/dbraw/zinc/50/71/37/662507137.db2.gz BJEVJVLJANRTIU-IJLUTSLNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccn2)C1 ZINC001025254670 662507313 /nfs/dbraw/zinc/50/73/13/662507313.db2.gz BJEVJVLJANRTIU-GRYCIOLGSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000973233052 662507446 /nfs/dbraw/zinc/50/74/46/662507446.db2.gz ZLEDBRABUIABKK-XWLWVQCSSA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973291740 662509866 /nfs/dbraw/zinc/50/98/66/662509866.db2.gz BQYRLLJSHINTHX-GWOFURMSSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307359 662510651 /nfs/dbraw/zinc/51/06/51/662510651.db2.gz ANTMJIXYRJSDKM-BJDJZHNGSA-N 1 1 321.385 -1.366 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC000935928768 662512157 /nfs/dbraw/zinc/51/21/57/662512157.db2.gz LRTLAPSKHOQAHS-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001018743118 662513279 /nfs/dbraw/zinc/51/32/79/662513279.db2.gz FXGQXDWANHUVFP-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973432512 662513735 /nfs/dbraw/zinc/51/37/35/662513735.db2.gz FOVUVXHRTPVHGU-BJDJZHNGSA-N 1 1 323.397 -1.085 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973465418 662516901 /nfs/dbraw/zinc/51/69/01/662516901.db2.gz JIFMFUXPALTPEE-FIQHERPVSA-N 1 1 323.397 -1.227 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000973466575 662516942 /nfs/dbraw/zinc/51/69/42/662516942.db2.gz ROAZNLJBRFSWKO-DCAQKATOSA-N 1 1 321.385 -1.071 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000973486583 662518223 /nfs/dbraw/zinc/51/82/23/662518223.db2.gz YFSNZFQJLZBGTC-XMVPOJSGSA-N 1 1 322.365 -1.902 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973510405 662519424 /nfs/dbraw/zinc/51/94/24/662519424.db2.gz WVNMNWHMQXJABK-DBIOUOCHSA-N 1 1 321.385 -1.215 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973531731 662519880 /nfs/dbraw/zinc/51/98/80/662519880.db2.gz KREJCHNALZFWPI-DDHJBXDOSA-N 1 1 323.397 -1.085 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973532151 662520288 /nfs/dbraw/zinc/52/02/88/662520288.db2.gz YUGPAWHELFDJQM-FIQHERPVSA-N 1 1 323.397 -1.227 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001025505175 662522289 /nfs/dbraw/zinc/52/22/89/662522289.db2.gz ADOLLYHRQKFNDT-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025560652 662523459 /nfs/dbraw/zinc/52/34/59/662523459.db2.gz GFQOATORTDJUKM-UWVGGRQHSA-N 1 1 324.381 -1.259 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001025684154 662525444 /nfs/dbraw/zinc/52/54/44/662525444.db2.gz XUDPZXWKHGKPHQ-GMTAPVOTSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001025684154 662525445 /nfs/dbraw/zinc/52/54/45/662525445.db2.gz XUDPZXWKHGKPHQ-GMTAPVOTSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001025683363 662525723 /nfs/dbraw/zinc/52/57/23/662525723.db2.gz LRPFUZXXZKAHBD-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1O ZINC001025683571 662525801 /nfs/dbraw/zinc/52/58/01/662525801.db2.gz ORNFTUISMGNBOL-YUSALJHKSA-N 1 1 323.353 -1.145 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCO2)C1=O ZINC001025688076 662525998 /nfs/dbraw/zinc/52/59/98/662525998.db2.gz UGCIQRAOOCUIQH-MLGHIDQZSA-N 1 1 309.366 -1.321 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001025705248 662526539 /nfs/dbraw/zinc/52/65/39/662526539.db2.gz KNZSHCPHTGJLAD-OQEOFVATSA-N 1 1 309.366 -1.070 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCOC1 ZINC001025701454 662526653 /nfs/dbraw/zinc/52/66/53/662526653.db2.gz UTMFALNCIGOVIC-XPORZQOISA-N 1 1 307.350 -1.126 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001025705247 662527060 /nfs/dbraw/zinc/52/70/60/662527060.db2.gz KNZSHCPHTGJLAD-HKLXJQGRSA-N 1 1 309.366 -1.070 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025709068 662527636 /nfs/dbraw/zinc/52/76/36/662527636.db2.gz JFUZEZHNCBCWDA-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719883 662527665 /nfs/dbraw/zinc/52/76/65/662527665.db2.gz WNSGQEIIUDMJBP-DGTMBMJNSA-N 1 1 324.425 -1.160 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719890 662527694 /nfs/dbraw/zinc/52/76/94/662527694.db2.gz WPWIFPJEPGKOLR-OBPIAQAESA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025708835 662527805 /nfs/dbraw/zinc/52/78/05/662527805.db2.gz FCIFVWWQTKOHGF-MOWSAHLDSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719346 662527820 /nfs/dbraw/zinc/52/78/20/662527820.db2.gz JQZIUNJOALDXAX-MEBFFEOJSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001025708921 662527841 /nfs/dbraw/zinc/52/78/41/662527841.db2.gz WVXMCWXPTXBVHY-CGUBKOMSSA-N 1 1 320.393 -1.022 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001025719884 662527854 /nfs/dbraw/zinc/52/78/54/662527854.db2.gz WNSGQEIIUDMJBP-ODXJTPSBSA-N 1 1 324.425 -1.160 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001025708922 662527994 /nfs/dbraw/zinc/52/79/94/662527994.db2.gz WVXMCWXPTXBVHY-QTSITOFLSA-N 1 1 320.393 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC001025728701 662528401 /nfs/dbraw/zinc/52/84/01/662528401.db2.gz HPZPICJDALQHIY-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001025735346 662528651 /nfs/dbraw/zinc/52/86/51/662528651.db2.gz UGJAOBNFHGFBGT-XPORZQOISA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001025735158 662528813 /nfs/dbraw/zinc/52/88/13/662528813.db2.gz IWRRBVFDVGOMSV-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001025735213 662528875 /nfs/dbraw/zinc/52/88/75/662528875.db2.gz LYOJNSSPYMSNTF-HMUNZLOLSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001025735230 662528927 /nfs/dbraw/zinc/52/89/27/662528927.db2.gz LYOJNSSPYMSNTF-ZTVLKNOQSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001025735092 662528967 /nfs/dbraw/zinc/52/89/67/662528967.db2.gz AQSSDTBDIXBPSI-JLDUMIBSSA-N 1 1 320.393 -1.162 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001025735347 662528980 /nfs/dbraw/zinc/52/89/80/662528980.db2.gz UGJAOBNFHGFBGT-ZTVLKNOQSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001025735276 662529180 /nfs/dbraw/zinc/52/91/80/662529180.db2.gz NSEZNGHJVXRLFY-HKLXJQGRSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001025735159 662529233 /nfs/dbraw/zinc/52/92/33/662529233.db2.gz IWRRBVFDVGOMSV-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025746763 662529691 /nfs/dbraw/zinc/52/96/91/662529691.db2.gz DSKVQZFSLQNHBS-FPYNETTCSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)n1cncn1 ZINC001025745691 662529910 /nfs/dbraw/zinc/52/99/10/662529910.db2.gz HSIGOMVCYZIWEJ-GCHJQGSQSA-N 1 1 304.354 -1.226 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025747113 662529990 /nfs/dbraw/zinc/52/99/90/662529990.db2.gz HATDNWPUPRRWCD-ITGHMWBKSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)n1cncn1 ZINC001025745692 662530095 /nfs/dbraw/zinc/53/00/95/662530095.db2.gz HSIGOMVCYZIWEJ-HHHUOAJASA-N 1 1 304.354 -1.226 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001025763268 662530826 /nfs/dbraw/zinc/53/08/26/662530826.db2.gz RGFWFPIZGFJNQO-URYVQPGZSA-N 1 1 322.365 -1.192 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764388 662531044 /nfs/dbraw/zinc/53/10/44/662531044.db2.gz RNHLVVBBZCZSGK-KHWQERMQSA-N 1 1 322.321 -2.054 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001025763961 662531094 /nfs/dbraw/zinc/53/10/94/662531094.db2.gz JPDPOCSUHOJYND-NZFPMDFQSA-N 1 1 310.354 -1.382 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025763994 662531340 /nfs/dbraw/zinc/53/13/40/662531340.db2.gz KXJKPUZXVSDOPK-HPENLJRUSA-N 1 1 308.338 -1.628 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025763997 662531453 /nfs/dbraw/zinc/53/14/53/662531453.db2.gz KXJKPUZXVSDOPK-OGBGREFGSA-N 1 1 308.338 -1.628 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808255 662532438 /nfs/dbraw/zinc/53/24/38/662532438.db2.gz HQNAMTNARZOBLS-TUYISWAISA-N 1 1 309.366 -1.049 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808407 662532872 /nfs/dbraw/zinc/53/28/72/662532872.db2.gz OCVVGTYFSBQVDF-OQEOFVATSA-N 1 1 308.382 -1.354 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001025812350 662533207 /nfs/dbraw/zinc/53/32/07/662533207.db2.gz BKGPMUPXYBBQJP-XPORZQOISA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O ZINC001025815359 662533220 /nfs/dbraw/zinc/53/32/20/662533220.db2.gz FABIBLUAASFGMG-JCIQBVFBSA-N 1 1 308.382 -1.307 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCNC2=O)C1=O ZINC001025815452 662533337 /nfs/dbraw/zinc/53/33/37/662533337.db2.gz PRTYIEKMFVNQTM-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808533 662533372 /nfs/dbraw/zinc/53/33/72/662533372.db2.gz ZKFJYICDJMUWRF-DUYQIWHPSA-N 1 1 322.365 -1.556 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808533 662533374 /nfs/dbraw/zinc/53/33/74/662533374.db2.gz ZKFJYICDJMUWRF-DUYQIWHPSA-N 1 1 322.365 -1.556 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001025812340 662533438 /nfs/dbraw/zinc/53/34/38/662533438.db2.gz BDPIIBRRJJNFFT-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000314238997 662533475 /nfs/dbraw/zinc/53/34/75/662533475.db2.gz XCKWPLHGONRSRW-XQQFMLRXSA-N 1 1 319.427 -1.243 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025812006 662533490 /nfs/dbraw/zinc/53/34/90/662533490.db2.gz DZOUOYLFMNVKMS-HMUNZLOLSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025812158 662533657 /nfs/dbraw/zinc/53/36/57/662533657.db2.gz PBCPYKTVWNZPQQ-DIACKHNESA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808535 662533714 /nfs/dbraw/zinc/53/37/14/662533714.db2.gz ZKFJYICDJMUWRF-PXSXMVNOSA-N 1 1 322.365 -1.556 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808535 662533718 /nfs/dbraw/zinc/53/37/18/662533718.db2.gz ZKFJYICDJMUWRF-PXSXMVNOSA-N 1 1 322.365 -1.556 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808464 662533768 /nfs/dbraw/zinc/53/37/68/662533768.db2.gz UDXRHGDYZONASE-IIEKFROSSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC001025815685 662533917 /nfs/dbraw/zinc/53/39/17/662533917.db2.gz BSMIOSGLFGKSIM-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC001025815685 662533920 /nfs/dbraw/zinc/53/39/20/662533920.db2.gz BSMIOSGLFGKSIM-YFVNTRNASA-N 1 1 308.382 -1.225 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814154 662534374 /nfs/dbraw/zinc/53/43/74/662534374.db2.gz SHLMWCHTGRAWJX-KSFAHDSMSA-N 1 1 321.337 -2.481 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001025842750 662534415 /nfs/dbraw/zinc/53/44/15/662534415.db2.gz VGGBMMVMSPKZBM-IEECTRCBSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001025842750 662534418 /nfs/dbraw/zinc/53/44/18/662534418.db2.gz VGGBMMVMSPKZBM-IEECTRCBSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025842744 662534489 /nfs/dbraw/zinc/53/44/89/662534489.db2.gz URFNVGMSQKBWRT-ZUWCUPBKSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCNC(=O)C1 ZINC001025818584 662534631 /nfs/dbraw/zinc/53/46/31/662534631.db2.gz RGUNTUQKOBKJNQ-RMERFRFWSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001025818339 662534718 /nfs/dbraw/zinc/53/47/18/662534718.db2.gz PCYWBCABJBMRLS-WZBKEBKWSA-N 1 1 324.425 -1.114 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C ZINC001025814533 662534831 /nfs/dbraw/zinc/53/48/31/662534831.db2.gz ZPBSYWUNFVZYMW-XARVFOJUSA-N 1 1 311.382 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001025849157 662534950 /nfs/dbraw/zinc/53/49/50/662534950.db2.gz PEMOTCQAILVORI-HKLXJQGRSA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025880881 662534964 /nfs/dbraw/zinc/53/49/64/662534964.db2.gz BSLFLGPNZJRBFO-KLFGWDPYSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001025849129 662535070 /nfs/dbraw/zinc/53/50/70/662535070.db2.gz NXWOHMVAVFNLFG-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC001025849395 662535080 /nfs/dbraw/zinc/53/50/80/662535080.db2.gz TUZLIUZPISVXLV-IIEKFROSSA-N 1 1 306.366 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001025847919 662535216 /nfs/dbraw/zinc/53/52/16/662535216.db2.gz BIMFFBLTCLIELN-TUYISWAISA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001025847919 662535217 /nfs/dbraw/zinc/53/52/17/662535217.db2.gz BIMFFBLTCLIELN-TUYISWAISA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001025847918 662535339 /nfs/dbraw/zinc/53/53/39/662535339.db2.gz BIMFFBLTCLIELN-MOUCOTEISA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001025847918 662535342 /nfs/dbraw/zinc/53/53/42/662535342.db2.gz BIMFFBLTCLIELN-MOUCOTEISA-N 1 1 308.382 -1.307 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC001025849393 662535458 /nfs/dbraw/zinc/53/54/58/662535458.db2.gz TUZLIUZPISVXLV-HMUNZLOLSA-N 1 1 306.366 -1.553 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001019975897 662536468 /nfs/dbraw/zinc/53/64/68/662536468.db2.gz NLEWPQXOAIRLAB-MGCOHNPYSA-N 1 1 305.346 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194604 662537974 /nfs/dbraw/zinc/53/79/74/662537974.db2.gz YMMLKXAPEAEWCI-KYZUINATSA-N 1 1 314.371 -2.009 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2)C1)c1nnnn1C ZINC001020086793 662538167 /nfs/dbraw/zinc/53/81/67/662538167.db2.gz YBSYRJVHYMQYPG-IJLUTSLNSA-N 1 1 323.401 -1.160 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001020232186 662538201 /nfs/dbraw/zinc/53/82/01/662538201.db2.gz MTDNMGPOGNHGQC-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919522 662539239 /nfs/dbraw/zinc/53/92/39/662539239.db2.gz NOJJXRWANYARLX-YBRCUDMCSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919522 662539240 /nfs/dbraw/zinc/53/92/40/662539240.db2.gz NOJJXRWANYARLX-YBRCUDMCSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922412 662539278 /nfs/dbraw/zinc/53/92/78/662539278.db2.gz RYRUXDZHCPKFOA-IWAHSAMASA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001025921702 662539343 /nfs/dbraw/zinc/53/93/43/662539343.db2.gz CIYVWYQDYLOVTE-GCCGGCASSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001025922601 662539408 /nfs/dbraw/zinc/53/94/08/662539408.db2.gz WDQSGMPNQCNZGK-BCLHGEQCSA-N 1 1 308.382 -1.307 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001025936712 662539591 /nfs/dbraw/zinc/53/95/91/662539591.db2.gz BNGKUXGIGDXXIC-MOWSAHLDSA-N 1 1 320.393 -1.223 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025938413 662539713 /nfs/dbraw/zinc/53/97/13/662539713.db2.gz XFJMIKJVGORHEZ-YFVNTRNASA-N 1 1 308.382 -1.368 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025935354 662539780 /nfs/dbraw/zinc/53/97/80/662539780.db2.gz BCNNACLTNWAJPN-QKZHPOIUSA-N 1 1 320.393 -1.068 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937285 662539805 /nfs/dbraw/zinc/53/98/05/662539805.db2.gz JYRZVSAIYAIKEC-SVPLCASGSA-N 1 1 320.393 -1.177 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937285 662539807 /nfs/dbraw/zinc/53/98/07/662539807.db2.gz JYRZVSAIYAIKEC-SVPLCASGSA-N 1 1 320.393 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939179 662539917 /nfs/dbraw/zinc/53/99/17/662539917.db2.gz AEHMSDQZUDOTON-GOVZDWNOSA-N 1 1 320.349 -2.026 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939537 662540148 /nfs/dbraw/zinc/54/01/48/662540148.db2.gz PSQJZCKJKAVOSH-GCHJQGSQSA-N 1 1 306.366 -1.553 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943587 662540168 /nfs/dbraw/zinc/54/01/68/662540168.db2.gz JHILXBSMVFHQJP-QGKZMRNZSA-N 1 1 309.370 -1.680 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025952991 662540205 /nfs/dbraw/zinc/54/02/05/662540205.db2.gz YDPJRPLLEYJNOS-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1=O ZINC001025958948 662540219 /nfs/dbraw/zinc/54/02/19/662540219.db2.gz RMVLNFYZQDFAMU-KIJLLGNVSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025941579 662540239 /nfs/dbraw/zinc/54/02/39/662540239.db2.gz AOHIHTNKLBLTJE-HHHUOAJASA-N 1 1 306.366 -1.600 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958962 662540333 /nfs/dbraw/zinc/54/03/33/662540333.db2.gz UCVCBJNVZUTJST-GCHJQGSQSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001025941128 662540357 /nfs/dbraw/zinc/54/03/57/662540357.db2.gz RMYAWZLBMGDFFY-FHUSYTEZSA-N 1 1 318.381 -1.164 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025952990 662540364 /nfs/dbraw/zinc/54/03/64/662540364.db2.gz YDPJRPLLEYJNOS-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)NC1=O ZINC001025943951 662540417 /nfs/dbraw/zinc/54/04/17/662540417.db2.gz TWNIUJNREHQZHI-LVEVGFFFSA-N 1 1 321.381 -1.665 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)NC1=O ZINC001025943952 662540534 /nfs/dbraw/zinc/54/05/34/662540534.db2.gz TWNIUJNREHQZHI-RNWYCLNJSA-N 1 1 321.381 -1.665 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994169 662540665 /nfs/dbraw/zinc/54/06/65/662540665.db2.gz JGFXCPDRTZZJKR-RNWYCLNJSA-N 1 1 321.381 -1.665 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001025993800 662540729 /nfs/dbraw/zinc/54/07/29/662540729.db2.gz AAADRKAZAVURMF-WZQZWDJBSA-N 1 1 321.381 -1.619 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001025965068 662540796 /nfs/dbraw/zinc/54/07/96/662540796.db2.gz PTGDKTOHVHBJMN-HGBDMZGYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001025965068 662540798 /nfs/dbraw/zinc/54/07/98/662540798.db2.gz PTGDKTOHVHBJMN-HGBDMZGYSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001025993799 662540870 /nfs/dbraw/zinc/54/08/70/662540870.db2.gz AAADRKAZAVURMF-URYVQPGZSA-N 1 1 321.381 -1.619 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025994299 662540970 /nfs/dbraw/zinc/54/09/70/662540970.db2.gz MMTSVJNMBUXPPS-KHWQERMQSA-N 1 1 321.337 -2.481 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC001026033276 662541043 /nfs/dbraw/zinc/54/10/43/662541043.db2.gz YUNUFDYTKFAMHI-ZTVLKNOQSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC001026033276 662541046 /nfs/dbraw/zinc/54/10/46/662541046.db2.gz YUNUFDYTKFAMHI-ZTVLKNOQSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC(=O)N1 ZINC001026013759 662541062 /nfs/dbraw/zinc/54/10/62/662541062.db2.gz PFLBEXZUXINWCS-DDRZYQNWSA-N 1 1 306.366 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001026033272 662541102 /nfs/dbraw/zinc/54/11/02/662541102.db2.gz YUNUFDYTKFAMHI-IIEKFROSSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC(=O)N1 ZINC001026033272 662541103 /nfs/dbraw/zinc/54/11/03/662541103.db2.gz YUNUFDYTKFAMHI-IIEKFROSSA-N 1 1 308.382 -1.035 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001026019684 662541122 /nfs/dbraw/zinc/54/11/22/662541122.db2.gz DIWVADJDWCJQIV-DDRZYQNWSA-N 1 1 308.382 -1.035 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001025994641 662541145 /nfs/dbraw/zinc/54/11/45/662541145.db2.gz WNQJXVJCDKJAQK-ROHXPCBUSA-N 1 1 321.381 -1.665 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001025994233 662541168 /nfs/dbraw/zinc/54/11/68/662541168.db2.gz KJEDJLYSALPGHE-QUARPLMYSA-N 1 1 309.370 -1.809 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025994298 662541171 /nfs/dbraw/zinc/54/11/71/662541171.db2.gz MMTSVJNMBUXPPS-BIIVNPBRSA-N 1 1 321.337 -2.481 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994638 662541224 /nfs/dbraw/zinc/54/12/24/662541224.db2.gz WNQJXVJCDKJAQK-KZZRWZIVSA-N 1 1 321.381 -1.665 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001026050874 662541368 /nfs/dbraw/zinc/54/13/68/662541368.db2.gz UIUBTNQJONUQLO-KTWSDMTRSA-N 1 1 308.382 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001026050874 662541370 /nfs/dbraw/zinc/54/13/70/662541370.db2.gz UIUBTNQJONUQLO-KTWSDMTRSA-N 1 1 308.382 -1.192 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026050155 662541451 /nfs/dbraw/zinc/54/14/51/662541451.db2.gz ZKEGBTDAJLYEAO-XARVFOJUSA-N 1 1 320.393 -1.225 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026049532 662541453 /nfs/dbraw/zinc/54/14/53/662541453.db2.gz OXVHSUAVGJYWLV-INLQROKSSA-N 1 1 320.349 -2.041 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001026036666 662541469 /nfs/dbraw/zinc/54/14/69/662541469.db2.gz ASMPUEBXBKPBOQ-OWSRUXPGSA-N 1 1 324.381 -1.670 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001026036590 662541538 /nfs/dbraw/zinc/54/15/38/662541538.db2.gz UVXUAUZVQNAPRC-OYLDRBDASA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCNC1=O ZINC001026036673 662541558 /nfs/dbraw/zinc/54/15/58/662541558.db2.gz BIXDLPYYJFVOFI-YFJMAAFGSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC001026043802 662541567 /nfs/dbraw/zinc/54/15/67/662541567.db2.gz DYDFVNCTUHHJOP-SVPLCASGSA-N 1 1 319.413 -1.046 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077967 662541758 /nfs/dbraw/zinc/54/17/58/662541758.db2.gz ONOUFSXVXGNYTE-KHWQERMQSA-N 1 1 323.353 -2.105 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077969 662541781 /nfs/dbraw/zinc/54/17/81/662541781.db2.gz ONOUFSXVXGNYTE-KSFAHDSMSA-N 1 1 323.353 -2.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001026062395 662541834 /nfs/dbraw/zinc/54/18/34/662541834.db2.gz JLKRKMZLIOLAQO-PDNLZKNQSA-N 1 1 308.382 -1.307 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001026062395 662541836 /nfs/dbraw/zinc/54/18/36/662541836.db2.gz JLKRKMZLIOLAQO-PDNLZKNQSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001026139767 662542161 /nfs/dbraw/zinc/54/21/61/662542161.db2.gz QLMZYRGAZWJURX-PXSXMVNOSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001026139767 662542167 /nfs/dbraw/zinc/54/21/67/662542167.db2.gz QLMZYRGAZWJURX-PXSXMVNOSA-N 1 1 318.381 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC001026143750 662542183 /nfs/dbraw/zinc/54/21/83/662542183.db2.gz HUADLOWFRVFMGZ-ZTVLKNOQSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC001026143750 662542186 /nfs/dbraw/zinc/54/21/86/662542186.db2.gz HUADLOWFRVFMGZ-ZTVLKNOQSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143343 662542328 /nfs/dbraw/zinc/54/23/28/662542328.db2.gz WQWWZEAXBNGLIB-JUJYEKSXSA-N 1 1 308.382 -1.225 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143343 662542329 /nfs/dbraw/zinc/54/23/29/662542329.db2.gz WQWWZEAXBNGLIB-JUJYEKSXSA-N 1 1 308.382 -1.225 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000930488487 662542335 /nfs/dbraw/zinc/54/23/35/662542335.db2.gz ZLPAKPZOCATMBH-NSHDSACASA-N 1 1 307.416 -1.266 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC001026138973 662542362 /nfs/dbraw/zinc/54/23/62/662542362.db2.gz QCHPOKRYQTYNAB-PREPNJAASA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(N)=O ZINC001026138973 662542364 /nfs/dbraw/zinc/54/23/64/662542364.db2.gz QCHPOKRYQTYNAB-PREPNJAASA-N 1 1 323.397 -1.160 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)C1CC2(C1)NC(=O)NC2=O ZINC001026102761 662542395 /nfs/dbraw/zinc/54/23/95/662542395.db2.gz DUFIELJSULBIMW-FGSHSYPDSA-N 1 1 308.338 -1.987 20 0 DAADMO Cn1c2[nH]c(N3CC[N@@H+]4CCOC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000893160431 662542460 /nfs/dbraw/zinc/54/24/60/662542460.db2.gz WIUQPLHRZHVFTP-SECBINFHSA-N 1 1 320.353 -1.519 20 0 DAADMO Cn1c2[nH]c(N3CC[N@H+]4CCOC[C@H]4C3)nc2c(=O)n(C)c1=O ZINC000893160431 662542462 /nfs/dbraw/zinc/54/24/62/662542462.db2.gz WIUQPLHRZHVFTP-SECBINFHSA-N 1 1 320.353 -1.519 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026103179 662542487 /nfs/dbraw/zinc/54/24/87/662542487.db2.gz FMQDPUOZMYTAAX-QKZHPOIUSA-N 1 1 320.393 -1.020 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147807 662542608 /nfs/dbraw/zinc/54/26/08/662542608.db2.gz OHNJMQLVQBXBBQ-LBELIVKGSA-N 1 1 310.398 -1.373 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026150932 662542632 /nfs/dbraw/zinc/54/26/32/662542632.db2.gz PHMJSCZZKQSTHU-ZMHPAJMFSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026150932 662542634 /nfs/dbraw/zinc/54/26/34/662542634.db2.gz PHMJSCZZKQSTHU-ZMHPAJMFSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001026148850 662542664 /nfs/dbraw/zinc/54/26/64/662542664.db2.gz RMTDHRCWJUOBPX-YFVNTRNASA-N 1 1 318.381 -1.239 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001026148850 662542667 /nfs/dbraw/zinc/54/26/67/662542667.db2.gz RMTDHRCWJUOBPX-YFVNTRNASA-N 1 1 318.381 -1.239 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026143810 662542698 /nfs/dbraw/zinc/54/26/98/662542698.db2.gz PPFLVXVPDXRDJZ-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026150931 662542832 /nfs/dbraw/zinc/54/28/32/662542832.db2.gz PHMJSCZZKQSTHU-BQSNPHCVSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026150931 662542833 /nfs/dbraw/zinc/54/28/33/662542833.db2.gz PHMJSCZZKQSTHU-BQSNPHCVSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001026147530 662542911 /nfs/dbraw/zinc/54/29/11/662542911.db2.gz PBQWBYNEKZIEIT-CYDRSHDDSA-N 1 1 311.382 -1.339 20 0 DAADMO OC[C@@H](O)CN1CCCC2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC000930511933 662542938 /nfs/dbraw/zinc/54/29/38/662542938.db2.gz PTPXSPMVGUNDLZ-ZYOSVBKOSA-N 1 1 302.415 -1.129 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146834 662543024 /nfs/dbraw/zinc/54/30/24/662543024.db2.gz YWTQDIZEWLSLBY-HHHUOAJASA-N 1 1 317.411 -1.241 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146827 662543077 /nfs/dbraw/zinc/54/30/77/662543077.db2.gz WPBVMVUTUBQYBM-FBDQPXRJSA-N 1 1 303.384 -1.895 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026147583 662543092 /nfs/dbraw/zinc/54/30/92/662543092.db2.gz VTOMMADEDZZTKT-WSLQDRLSSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001026147583 662543095 /nfs/dbraw/zinc/54/30/95/662543095.db2.gz VTOMMADEDZZTKT-WSLQDRLSSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001026147531 662543129 /nfs/dbraw/zinc/54/31/29/662543129.db2.gz PBQWBYNEKZIEIT-DDNMXHNFSA-N 1 1 311.382 -1.339 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026142950 662543251 /nfs/dbraw/zinc/54/32/51/662543251.db2.gz QUSRPRJXIXLMAF-RGDJUOJXSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153756 662543297 /nfs/dbraw/zinc/54/32/97/662543297.db2.gz GRMCCRVDTWLJOC-HHHUOAJASA-N 1 1 323.397 -1.290 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154763 662543458 /nfs/dbraw/zinc/54/34/58/662543458.db2.gz PPBPOITWSQVBTN-BLHGMNIDSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154763 662543461 /nfs/dbraw/zinc/54/34/61/662543461.db2.gz PPBPOITWSQVBTN-BLHGMNIDSA-N 1 1 308.338 -2.041 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154759 662543570 /nfs/dbraw/zinc/54/35/70/662543570.db2.gz PNNKEXGUKGSQAJ-DUYQIWHPSA-N 1 1 322.365 -1.780 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N1CCOCC1 ZINC001026154739 662543701 /nfs/dbraw/zinc/54/37/01/662543701.db2.gz MZCFMUXLDRCFNM-ODXJTPSBSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001026154596 662543713 /nfs/dbraw/zinc/54/37/13/662543713.db2.gz UOQZNGNHIFMLEV-FHUSYTEZSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001026154596 662543715 /nfs/dbraw/zinc/54/37/15/662543715.db2.gz UOQZNGNHIFMLEV-FHUSYTEZSA-N 1 1 310.398 -1.373 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973859085 662543954 /nfs/dbraw/zinc/54/39/54/662543954.db2.gz FHYZLMRILXMZIY-PHIMTYICSA-N 1 1 318.341 -1.358 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973866476 662544612 /nfs/dbraw/zinc/54/46/12/662544612.db2.gz VMYVILOAKUKGMZ-WISYIIOYSA-N 1 1 321.385 -1.366 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000973964760 662546378 /nfs/dbraw/zinc/54/63/78/662546378.db2.gz LHQIGLABWMTWSA-USZNOCQGSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000947671082 662546634 /nfs/dbraw/zinc/54/66/34/662546634.db2.gz KSYGOAPJXOAHRW-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000973967552 662546871 /nfs/dbraw/zinc/54/68/71/662546871.db2.gz UYEMOSQMPPIABX-LVEVGFFFSA-N 1 1 308.382 -1.035 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000973999308 662547416 /nfs/dbraw/zinc/54/74/16/662547416.db2.gz MTOLIZSJKPIHCT-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000973999308 662547418 /nfs/dbraw/zinc/54/74/18/662547418.db2.gz MTOLIZSJKPIHCT-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973990418 662547443 /nfs/dbraw/zinc/54/74/43/662547443.db2.gz BQAOSDBTVBIVBE-USZNOCQGSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000973990418 662547445 /nfs/dbraw/zinc/54/74/45/662547445.db2.gz BQAOSDBTVBIVBE-USZNOCQGSA-N 1 1 324.381 -1.641 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000974002391 662547539 /nfs/dbraw/zinc/54/75/39/662547539.db2.gz ZUJUNJFCQNTTSI-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000974002391 662547541 /nfs/dbraw/zinc/54/75/41/662547541.db2.gz ZUJUNJFCQNTTSI-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000974087670 662550328 /nfs/dbraw/zinc/55/03/28/662550328.db2.gz ZLEDBRABUIABKK-CHWFTXMASA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000974087673 662550355 /nfs/dbraw/zinc/55/03/55/662550355.db2.gz ZLEDBRABUIABKK-ZNSHCXBVSA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000974146642 662551734 /nfs/dbraw/zinc/55/17/34/662551734.db2.gz HZDBBDNFSLLVHJ-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000974150651 662551763 /nfs/dbraw/zinc/55/17/63/662551763.db2.gz NFPKLROXSFUNAF-WISYIIOYSA-N 1 1 323.397 -1.275 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974152046 662551871 /nfs/dbraw/zinc/55/18/71/662551871.db2.gz YRXNILQHOJHVDK-AOOOYVTPSA-N 1 1 318.341 -1.208 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974148859 662552101 /nfs/dbraw/zinc/55/21/01/662552101.db2.gz WWGWUXWHHZYERQ-GARJFASQSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974161558 662552292 /nfs/dbraw/zinc/55/22/92/662552292.db2.gz APRJPFPZGGMTPX-SDDRHHMPSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974161556 662552432 /nfs/dbraw/zinc/55/24/32/662552432.db2.gz ANTMJIXYRJSDKM-WYUUTHIRSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000974166593 662553105 /nfs/dbraw/zinc/55/31/05/662553105.db2.gz SYKFVLDJQNXTMZ-WISYIIOYSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[N@H+]1CCO ZINC000893275368 662553346 /nfs/dbraw/zinc/55/33/46/662553346.db2.gz NDXRMLNZOUQDGF-SECBINFHSA-N 1 1 322.369 -1.537 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000974190183 662553366 /nfs/dbraw/zinc/55/33/66/662553366.db2.gz XBLYRLKQBBWAGV-CHWFTXMASA-N 1 1 321.385 -1.073 20 0 DAADMO C[C@H]1CN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC[N@H+]1CCO ZINC000893275369 662553648 /nfs/dbraw/zinc/55/36/48/662553648.db2.gz NDXRMLNZOUQDGF-VIFPVBQESA-N 1 1 322.369 -1.537 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008192520 662553669 /nfs/dbraw/zinc/55/36/69/662553669.db2.gz WHUOFCQLZCCISZ-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008192520 662553673 /nfs/dbraw/zinc/55/36/73/662553673.db2.gz WHUOFCQLZCCISZ-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001008211815 662554093 /nfs/dbraw/zinc/55/40/93/662554093.db2.gz FSZDXBBMSAQYEA-SNVBAGLBSA-N 1 1 322.373 -1.571 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001008211815 662554096 /nfs/dbraw/zinc/55/40/96/662554096.db2.gz FSZDXBBMSAQYEA-SNVBAGLBSA-N 1 1 322.373 -1.571 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000974212011 662554257 /nfs/dbraw/zinc/55/42/57/662554257.db2.gz DWDDFEWLWQXCPU-YTWAJWBKSA-N 1 1 310.354 -1.902 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4nc[nH]n4)C[C@@H]23)n1 ZINC001026379702 662555010 /nfs/dbraw/zinc/55/50/10/662555010.db2.gz JBOWIXJCNCXZFX-OPRDCNLKSA-N 1 1 317.357 -1.031 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974294195 662556919 /nfs/dbraw/zinc/55/69/19/662556919.db2.gz FOVUVXHRTPVHGU-USZNOCQGSA-N 1 1 323.397 -1.085 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974316037 662557654 /nfs/dbraw/zinc/55/76/54/662557654.db2.gz HMEVUMLLEWSRDU-AOOOYVTPSA-N 1 1 318.341 -1.208 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000974343918 662558794 /nfs/dbraw/zinc/55/87/94/662558794.db2.gz YFSNZFQJLZBGTC-HVGFFAFRSA-N 1 1 322.365 -1.902 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000974370493 662560111 /nfs/dbraw/zinc/56/01/11/662560111.db2.gz CMROONINRRAZRP-MXWKQRLJSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001026551595 662560949 /nfs/dbraw/zinc/56/09/49/662560949.db2.gz DUHKBGJJOIMMTG-RTBKNWGFSA-N 1 1 322.373 -1.592 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC000974411232 662561483 /nfs/dbraw/zinc/56/14/83/662561483.db2.gz BLTDEGCWXHWJAS-MKHNBGRSSA-N 1 1 305.338 -1.163 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001026698721 662561771 /nfs/dbraw/zinc/56/17/71/662561771.db2.gz NSPYYPQUBIEBTD-QWRGUYRKSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001026665010 662561802 /nfs/dbraw/zinc/56/18/02/662561802.db2.gz HFIJVXZHTAJGLC-VIFPVBQESA-N 1 1 318.341 -1.042 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CCn3cncn3)C2)n1 ZINC001026688155 662561964 /nfs/dbraw/zinc/56/19/64/662561964.db2.gz JKPOYSAQLSIDTL-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974471308 662562835 /nfs/dbraw/zinc/56/28/35/662562835.db2.gz GEJUSCONFGCNJS-NXEZZACHSA-N 1 1 322.369 -1.301 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974471308 662562838 /nfs/dbraw/zinc/56/28/38/662562838.db2.gz GEJUSCONFGCNJS-NXEZZACHSA-N 1 1 322.369 -1.301 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001008555911 662562921 /nfs/dbraw/zinc/56/29/21/662562921.db2.gz GPLFBXIFGKAYLM-UTUOFQBUSA-N 1 1 306.370 -1.020 20 0 DAADMO Cc1c(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)nnn1C ZINC001026751804 662563007 /nfs/dbraw/zinc/56/30/07/662563007.db2.gz SRYRXJATQUMSJT-JTQLQIEISA-N 1 1 319.373 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)n1 ZINC001026792159 662563441 /nfs/dbraw/zinc/56/34/41/662563441.db2.gz RLBJMQHZUWUUCO-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001026809325 662563811 /nfs/dbraw/zinc/56/38/11/662563811.db2.gz VXOZGVSQLAWUNW-LLVKDONJSA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)n1 ZINC001026807104 662564106 /nfs/dbraw/zinc/56/41/06/662564106.db2.gz CNAGDNMMKXVFIO-VIFPVBQESA-N 1 1 321.341 -1.246 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597471 662564578 /nfs/dbraw/zinc/56/45/78/662564578.db2.gz FFEZXZPRYZBGTP-UWVGGRQHSA-N 1 1 324.385 -1.416 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603764 662564581 /nfs/dbraw/zinc/56/45/81/662564581.db2.gz NYPNAXZYQGRWRQ-NXEZZACHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974603764 662564582 /nfs/dbraw/zinc/56/45/82/662564582.db2.gz NYPNAXZYQGRWRQ-NXEZZACHSA-N 1 1 307.358 -1.612 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000974587077 662564686 /nfs/dbraw/zinc/56/46/86/662564686.db2.gz WFFWVTBBIDILID-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607860 662564877 /nfs/dbraw/zinc/56/48/77/662564877.db2.gz WRRSFXYKLTVSLF-WDEREUQCSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607860 662564882 /nfs/dbraw/zinc/56/48/82/662564882.db2.gz WRRSFXYKLTVSLF-WDEREUQCSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607858 662564910 /nfs/dbraw/zinc/56/49/10/662564910.db2.gz WRRSFXYKLTVSLF-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607858 662564914 /nfs/dbraw/zinc/56/49/14/662564914.db2.gz WRRSFXYKLTVSLF-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974633142 662565188 /nfs/dbraw/zinc/56/51/88/662565188.db2.gz PEAFRRBJJQDLNR-MNOVXSKESA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974633142 662565190 /nfs/dbraw/zinc/56/51/90/662565190.db2.gz PEAFRRBJJQDLNR-MNOVXSKESA-N 1 1 306.370 -1.007 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600425 662565294 /nfs/dbraw/zinc/56/52/94/662565294.db2.gz GYRLGQWNWSWDEY-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600425 662565296 /nfs/dbraw/zinc/56/52/96/662565296.db2.gz GYRLGQWNWSWDEY-NXEZZACHSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001026876030 662565617 /nfs/dbraw/zinc/56/56/17/662565617.db2.gz VLSRNOMDKMPYPC-GHMZBOCLSA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3nccn3)C2)n1 ZINC001026867615 662565916 /nfs/dbraw/zinc/56/59/16/662565916.db2.gz RUNUJNQPUBLUDE-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001026903850 662566038 /nfs/dbraw/zinc/56/60/38/662566038.db2.gz QPMYMTWOEOGFSD-SECBINFHSA-N 1 1 318.341 -1.042 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026894975 662566211 /nfs/dbraw/zinc/56/62/11/662566211.db2.gz SYGGUHXHTQMZPI-LOWVWBTDSA-N 1 1 324.385 -1.048 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)n1 ZINC001026902606 662566429 /nfs/dbraw/zinc/56/64/29/662566429.db2.gz NLJRFRGODIRALT-MNOVXSKESA-N 1 1 321.385 -1.326 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001026985086 662567326 /nfs/dbraw/zinc/56/73/26/662567326.db2.gz HULKXSMFTXNMCR-ZJUUUORDSA-N 1 1 320.353 -1.030 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026984842 662567676 /nfs/dbraw/zinc/56/76/76/662567676.db2.gz AVAAFOLUXAIAGY-VIFPVBQESA-N 1 1 305.346 -1.111 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001027003371 662568069 /nfs/dbraw/zinc/56/80/69/662568069.db2.gz RFXYPEWAHGKFLF-QMMMGPOBSA-N 1 1 306.334 -2.015 20 0 DAADMO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C(C)(C)C1 ZINC000974860344 662568279 /nfs/dbraw/zinc/56/82/79/662568279.db2.gz CWXKHGROKXTQJB-UWVGGRQHSA-N 1 1 317.411 -1.254 20 0 DAADMO CC[N@H+]1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C(C)(C)C1 ZINC000974860344 662568282 /nfs/dbraw/zinc/56/82/82/662568282.db2.gz CWXKHGROKXTQJB-UWVGGRQHSA-N 1 1 317.411 -1.254 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001027029347 662568753 /nfs/dbraw/zinc/56/87/53/662568753.db2.gz ALPZBGTWGSKING-BDAKNGLRSA-N 1 1 308.346 -2.170 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899972 662568790 /nfs/dbraw/zinc/56/87/90/662568790.db2.gz GXVWRHGFRMCDQG-ZJUUUORDSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C(C)(C)C1 ZINC000974899972 662568791 /nfs/dbraw/zinc/56/87/91/662568791.db2.gz GXVWRHGFRMCDQG-ZJUUUORDSA-N 1 1 311.386 -1.417 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001027029348 662569281 /nfs/dbraw/zinc/56/92/81/662569281.db2.gz ALPZBGTWGSKING-DTWKUNHWSA-N 1 1 308.346 -2.170 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC000974924638 662569358 /nfs/dbraw/zinc/56/93/58/662569358.db2.gz QDKPEIFLMIYMDK-JTQLQIEISA-N 1 1 310.354 -1.082 20 0 DAADMO COCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC001027033823 662569852 /nfs/dbraw/zinc/56/98/52/662569852.db2.gz OOVAXWGEUNQIBK-SECBINFHSA-N 1 1 311.342 -1.318 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)n1 ZINC001027044548 662569910 /nfs/dbraw/zinc/56/99/10/662569910.db2.gz YQRKSGVTUXAGFE-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948733 662570302 /nfs/dbraw/zinc/57/03/02/662570302.db2.gz OKJYROLKXNOEKD-ZJUUUORDSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948733 662570305 /nfs/dbraw/zinc/57/03/05/662570305.db2.gz OKJYROLKXNOEKD-ZJUUUORDSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951265 662570467 /nfs/dbraw/zinc/57/04/67/662570467.db2.gz UGBUWEHUVPDSIA-UWVGGRQHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951265 662570469 /nfs/dbraw/zinc/57/04/69/662570469.db2.gz UGBUWEHUVPDSIA-UWVGGRQHSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974945790 662570475 /nfs/dbraw/zinc/57/04/75/662570475.db2.gz GMYSKTRQAYZRCS-GMTAPVOTSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974945790 662570476 /nfs/dbraw/zinc/57/04/76/662570476.db2.gz GMYSKTRQAYZRCS-GMTAPVOTSA-N 1 1 310.354 -2.138 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)[nH]c1=O ZINC001027038612 662570654 /nfs/dbraw/zinc/57/06/54/662570654.db2.gz NUYVIMAGZSZXRC-SECBINFHSA-N 1 1 320.357 -1.099 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948732 662570720 /nfs/dbraw/zinc/57/07/20/662570720.db2.gz OKJYROLKXNOEKD-VHSXEESVSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC2(C)C)n1 ZINC000974948732 662570727 /nfs/dbraw/zinc/57/07/27/662570727.db2.gz OKJYROLKXNOEKD-VHSXEESVSA-N 1 1 321.385 -1.119 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974954730 662570745 /nfs/dbraw/zinc/57/07/45/662570745.db2.gz FKHXSRJVMDGDGC-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974968614 662571282 /nfs/dbraw/zinc/57/12/82/662571282.db2.gz WHWCDSWSZHHRNX-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974968614 662571288 /nfs/dbraw/zinc/57/12/88/662571288.db2.gz WHWCDSWSZHHRNX-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952498 662571364 /nfs/dbraw/zinc/57/13/64/662571364.db2.gz WUAVXRHGGLLPGX-DTWKUNHWSA-N 1 1 309.374 -1.086 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952498 662571366 /nfs/dbraw/zinc/57/13/66/662571366.db2.gz WUAVXRHGGLLPGX-DTWKUNHWSA-N 1 1 309.374 -1.086 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952505 662571514 /nfs/dbraw/zinc/57/15/14/662571514.db2.gz WUAVXRHGGLLPGX-IUCAKERBSA-N 1 1 309.374 -1.086 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000974952505 662571517 /nfs/dbraw/zinc/57/15/17/662571517.db2.gz WUAVXRHGGLLPGX-IUCAKERBSA-N 1 1 309.374 -1.086 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974997349 662572342 /nfs/dbraw/zinc/57/23/42/662572342.db2.gz POAQHKKVGUCSTP-QWRGUYRKSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)CC[N@H+]1C ZINC000974962799 662572527 /nfs/dbraw/zinc/57/25/27/662572527.db2.gz XSRUETLGXUXAJC-DDHJBXDOSA-N 1 1 308.382 -1.129 20 0 DAADMO CC1(C)C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000975002387 662572866 /nfs/dbraw/zinc/57/28/66/662572866.db2.gz DESHMEKACFSTAR-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000975002387 662572871 /nfs/dbraw/zinc/57/28/71/662572871.db2.gz DESHMEKACFSTAR-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974991343 662573165 /nfs/dbraw/zinc/57/31/65/662573165.db2.gz DNIOAYNLMKXSSL-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974991343 662573171 /nfs/dbraw/zinc/57/31/71/662573171.db2.gz DNIOAYNLMKXSSL-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000975226896 662573511 /nfs/dbraw/zinc/57/35/11/662573511.db2.gz VEERIXYWVAUELB-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173562 662573716 /nfs/dbraw/zinc/57/37/16/662573716.db2.gz DGFQZKHAUJYUQO-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173562 662573717 /nfs/dbraw/zinc/57/37/17/662573717.db2.gz DGFQZKHAUJYUQO-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001008910790 662574843 /nfs/dbraw/zinc/57/48/43/662574843.db2.gz VDVXIZXXYYSYCR-CHWFTXMASA-N 1 1 310.354 -2.377 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001008910790 662574846 /nfs/dbraw/zinc/57/48/46/662574846.db2.gz VDVXIZXXYYSYCR-CHWFTXMASA-N 1 1 310.354 -2.377 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001027179875 662575497 /nfs/dbraw/zinc/57/54/97/662575497.db2.gz GTPJDKPKGGMTRU-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001006682701 662576050 /nfs/dbraw/zinc/57/60/50/662576050.db2.gz IEJGURZYDKAWGI-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001006682701 662576053 /nfs/dbraw/zinc/57/60/53/662576053.db2.gz IEJGURZYDKAWGI-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689730 662576422 /nfs/dbraw/zinc/57/64/22/662576422.db2.gz DFQSIRDJEXWWLG-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689730 662576424 /nfs/dbraw/zinc/57/64/24/662576424.db2.gz DFQSIRDJEXWWLG-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001006689635 662576604 /nfs/dbraw/zinc/57/66/04/662576604.db2.gz CSOZJKVVBMTUKC-LLVKDONJSA-N 1 1 305.346 -1.455 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689736 662576662 /nfs/dbraw/zinc/57/66/62/662576662.db2.gz DFQSIRDJEXWWLG-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689736 662576664 /nfs/dbraw/zinc/57/66/64/662576664.db2.gz DFQSIRDJEXWWLG-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001006686294 662576707 /nfs/dbraw/zinc/57/67/07/662576707.db2.gz SRCUGFOWRUAPFD-NSHDSACASA-N 1 1 322.373 -1.721 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006694530 662576819 /nfs/dbraw/zinc/57/68/19/662576819.db2.gz PQJNXJQGVFEFPA-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006694530 662576820 /nfs/dbraw/zinc/57/68/20/662576820.db2.gz PQJNXJQGVFEFPA-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006696153 662577040 /nfs/dbraw/zinc/57/70/40/662577040.db2.gz SLPZZHDBIFCDGB-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006696153 662577042 /nfs/dbraw/zinc/57/70/42/662577042.db2.gz SLPZZHDBIFCDGB-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001006696775 662577403 /nfs/dbraw/zinc/57/74/03/662577403.db2.gz UXSDGMDRWHAQDA-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009461123 662581439 /nfs/dbraw/zinc/58/14/39/662581439.db2.gz PPEYBVCEJFJOHS-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009464182 662581576 /nfs/dbraw/zinc/58/15/76/662581576.db2.gz XRQLPXBLBJXHOL-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009464182 662581579 /nfs/dbraw/zinc/58/15/79/662581579.db2.gz XRQLPXBLBJXHOL-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000976276723 662581665 /nfs/dbraw/zinc/58/16/65/662581665.db2.gz AVNYBNZLASVBFK-YTWAJWBKSA-N 1 1 319.369 -1.509 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009461131 662581688 /nfs/dbraw/zinc/58/16/88/662581688.db2.gz PPEYBVCEJFJOHS-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000976279572 662582032 /nfs/dbraw/zinc/58/20/32/662582032.db2.gz LFUIUGJLCJBBKD-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3nccn3)C[C@H]21 ZINC000976269654 662582035 /nfs/dbraw/zinc/58/20/35/662582035.db2.gz PDLOFARXABBVCQ-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000976265776 662582101 /nfs/dbraw/zinc/58/21/01/662582101.db2.gz CFEDCZMGUTXOJJ-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC000976267724 662582205 /nfs/dbraw/zinc/58/22/05/662582205.db2.gz JQIXSTQFJMQPEO-LVEVGFFFSA-N 1 1 321.381 -1.665 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC000976267740 662582285 /nfs/dbraw/zinc/58/22/85/662582285.db2.gz JQIXSTQFJMQPEO-ROHXPCBUSA-N 1 1 321.381 -1.665 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 ZINC000976278560 662582294 /nfs/dbraw/zinc/58/22/94/662582294.db2.gz FCZNERMBMOBTAI-PDWLFKFUSA-N 1 1 320.393 -1.225 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976312711 662583003 /nfs/dbraw/zinc/58/30/03/662583003.db2.gz RWNIQODLQLMRTM-ZRUFSTJUSA-N 1 1 320.353 -1.678 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4nc[nH]n4)C[C@H]32)C1 ZINC000976312711 662583006 /nfs/dbraw/zinc/58/30/06/662583006.db2.gz RWNIQODLQLMRTM-ZRUFSTJUSA-N 1 1 320.353 -1.678 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006704646 662583018 /nfs/dbraw/zinc/58/30/18/662583018.db2.gz QGRPFQGKDFXRRA-SKDRFNHKSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H](NC(=O)c1cnon1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006704646 662583023 /nfs/dbraw/zinc/58/30/23/662583023.db2.gz QGRPFQGKDFXRRA-SKDRFNHKSA-N 1 1 323.353 -1.023 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976443930 662584120 /nfs/dbraw/zinc/58/41/20/662584120.db2.gz SGCWBVJQXVTJOI-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000976437018 662584771 /nfs/dbraw/zinc/58/47/71/662584771.db2.gz CLAYXVVXJKHJFI-GCHJQGSQSA-N 1 1 322.365 -1.381 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000976506823 662585684 /nfs/dbraw/zinc/58/56/84/662585684.db2.gz FJKSXVWCWUWPGI-OBPIAQAESA-N 1 1 320.393 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]32)C1 ZINC000976534933 662586008 /nfs/dbraw/zinc/58/60/08/662586008.db2.gz HVYOPDWNYHUAQE-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]32)C1 ZINC000976542999 662586541 /nfs/dbraw/zinc/58/65/41/662586541.db2.gz ZPXPPQOHLOMXAS-HHHUOAJASA-N 1 1 321.381 -1.808 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976603702 662587760 /nfs/dbraw/zinc/58/77/60/662587760.db2.gz GGLGHHZJPOQWFV-DEKYYXRVSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976603702 662587762 /nfs/dbraw/zinc/58/77/62/662587762.db2.gz GGLGHHZJPOQWFV-DEKYYXRVSA-N 1 1 324.381 -1.845 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC000976594545 662587798 /nfs/dbraw/zinc/58/77/98/662587798.db2.gz FHAQIDUETZZGRJ-YBRCUDMCSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000976647375 662588116 /nfs/dbraw/zinc/58/81/16/662588116.db2.gz OOYBFZGUXPAZLB-PREPNJAASA-N 1 1 322.365 -2.092 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976658591 662588153 /nfs/dbraw/zinc/58/81/53/662588153.db2.gz JMHHHLBXJWGONY-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@H+]([C@@H]1CCCNC1=O)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411229 662588365 /nfs/dbraw/zinc/58/83/65/662588365.db2.gz BRYIXFKXCNIEBU-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411382 662588383 /nfs/dbraw/zinc/58/83/83/662588383.db2.gz DFCDTEOJYOCREG-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411846 662588643 /nfs/dbraw/zinc/58/86/43/662588643.db2.gz IYTNOMIHHHTGEN-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412706 662588665 /nfs/dbraw/zinc/58/86/65/662588665.db2.gz VUZKFJOXQZCIHV-LLVKDONJSA-N 1 1 319.373 -1.075 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412706 662588668 /nfs/dbraw/zinc/58/86/68/662588668.db2.gz VUZKFJOXQZCIHV-LLVKDONJSA-N 1 1 319.373 -1.075 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418675 662589167 /nfs/dbraw/zinc/58/91/67/662589167.db2.gz HDDLZDBIEZOGTF-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418673 662589330 /nfs/dbraw/zinc/58/93/30/662589330.db2.gz HDDLZDBIEZOGTF-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009635033 662590293 /nfs/dbraw/zinc/59/02/93/662590293.db2.gz KPLPPTVILSRAAK-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000976921387 662592773 /nfs/dbraw/zinc/59/27/73/662592773.db2.gz LFUIUGJLCJBBKD-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1 ZINC000976946944 662593743 /nfs/dbraw/zinc/59/37/43/662593743.db2.gz SUPRLFZUVPNBGB-OBPIAQAESA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977090085 662598820 /nfs/dbraw/zinc/59/88/20/662598820.db2.gz NAYZDRDSCDIPCO-DCQANWLSSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CC[N@H+]1C ZINC000977090118 662598879 /nfs/dbraw/zinc/59/88/79/662598879.db2.gz RMAKSBNIXHBRKY-KKJSVHSVSA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000977091797 662599146 /nfs/dbraw/zinc/59/91/46/662599146.db2.gz LCRKZJYFSUNURA-KLBPJQLPSA-N 1 1 317.349 -1.181 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977092237 662599185 /nfs/dbraw/zinc/59/91/85/662599185.db2.gz MYQYVPUJPJEULG-IAZYJMLFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)no1 ZINC000977094358 662599369 /nfs/dbraw/zinc/59/93/69/662599369.db2.gz INNDGRQDHZPJCE-JZYVYDRUSA-N 1 1 321.337 -1.592 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)CC1=O ZINC001027472144 662599964 /nfs/dbraw/zinc/59/99/64/662599964.db2.gz ZIOBQHLDOUMPCY-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]21 ZINC000977080821 662600066 /nfs/dbraw/zinc/60/00/66/662600066.db2.gz ACYQBWRHZJIDQD-OBPIAQAESA-N 1 1 320.393 -1.081 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC001027471252 662600158 /nfs/dbraw/zinc/60/01/58/662600158.db2.gz YPBOTQIMHHMAQB-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC001027471252 662600160 /nfs/dbraw/zinc/60/01/60/662600160.db2.gz YPBOTQIMHHMAQB-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC001027471251 662600323 /nfs/dbraw/zinc/60/03/23/662600323.db2.gz YPBOTQIMHHMAQB-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC001027471251 662600325 /nfs/dbraw/zinc/60/03/25/662600325.db2.gz YPBOTQIMHHMAQB-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027471271 662600427 /nfs/dbraw/zinc/60/04/27/662600427.db2.gz YSLWMVAASMRPFM-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000977203898 662600612 /nfs/dbraw/zinc/60/06/12/662600612.db2.gz LJPMCUSIVDMOAP-OZWUEAAUSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482145 662600699 /nfs/dbraw/zinc/60/06/99/662600699.db2.gz CCBXOHOHLPJAAZ-JTQLQIEISA-N 1 1 323.353 -1.643 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001027482145 662600700 /nfs/dbraw/zinc/60/07/00/662600700.db2.gz CCBXOHOHLPJAAZ-JTQLQIEISA-N 1 1 323.353 -1.643 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)ncc1=O ZINC001027499344 662602066 /nfs/dbraw/zinc/60/20/66/662602066.db2.gz BXQQVFHRKWOULO-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)ncc1=O ZINC001027499344 662602068 /nfs/dbraw/zinc/60/20/68/662602068.db2.gz BXQQVFHRKWOULO-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001027503599 662602205 /nfs/dbraw/zinc/60/22/05/662602205.db2.gz SXAPXONFLVOLRQ-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)c1=O ZINC001027505474 662602218 /nfs/dbraw/zinc/60/22/18/662602218.db2.gz PQWMNHPZYMSRPE-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977329853 662602296 /nfs/dbraw/zinc/60/22/96/662602296.db2.gz SGQYEPWZIBOBNB-SNVBAGLBSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977329853 662602297 /nfs/dbraw/zinc/60/22/97/662602297.db2.gz SGQYEPWZIBOBNB-SNVBAGLBSA-N 1 1 324.381 -1.388 20 0 DAADMO CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001027503598 662602426 /nfs/dbraw/zinc/60/24/26/662602426.db2.gz SXAPXONFLVOLRQ-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)c1=O ZINC001027505666 662602529 /nfs/dbraw/zinc/60/25/29/662602529.db2.gz RWYMQHSSTBQLCR-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)c1=O ZINC001027505666 662602530 /nfs/dbraw/zinc/60/25/30/662602530.db2.gz RWYMQHSSTBQLCR-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977362915 662602597 /nfs/dbraw/zinc/60/25/97/662602597.db2.gz MDWAYRLQEQURKG-UWVGGRQHSA-N 1 1 312.370 -1.254 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519548 662602768 /nfs/dbraw/zinc/60/27/68/662602768.db2.gz PPPLLCXYKJZOBT-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519548 662602769 /nfs/dbraw/zinc/60/27/69/662602769.db2.gz PPPLLCXYKJZOBT-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000977461624 662603100 /nfs/dbraw/zinc/60/31/00/662603100.db2.gz LKCKEUPYCGDSQF-SNVBAGLBSA-N 1 1 320.353 -1.150 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001027530111 662603427 /nfs/dbraw/zinc/60/34/27/662603427.db2.gz RIKJSTNOCIXKLJ-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC001027530111 662603429 /nfs/dbraw/zinc/60/34/29/662603429.db2.gz RIKJSTNOCIXKLJ-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001027531488 662603539 /nfs/dbraw/zinc/60/35/39/662603539.db2.gz MTDBMKXVOKMOEX-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977524350 662603730 /nfs/dbraw/zinc/60/37/30/662603730.db2.gz OHDNAXCCCVXQKB-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977524350 662603733 /nfs/dbraw/zinc/60/37/33/662603733.db2.gz OHDNAXCCCVXQKB-JQWIXIFHSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977512078 662603908 /nfs/dbraw/zinc/60/39/08/662603908.db2.gz NZTKUCFVPLJJMH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977512078 662603910 /nfs/dbraw/zinc/60/39/10/662603910.db2.gz NZTKUCFVPLJJMH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000977602542 662604127 /nfs/dbraw/zinc/60/41/27/662604127.db2.gz LDIAEMYQXDEJRQ-WDEREUQCSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977565033 662604329 /nfs/dbraw/zinc/60/43/29/662604329.db2.gz IKACAOPCSJJMTJ-QWRGUYRKSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977565033 662604330 /nfs/dbraw/zinc/60/43/30/662604330.db2.gz IKACAOPCSJJMTJ-QWRGUYRKSA-N 1 1 306.370 -1.007 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552714 662605717 /nfs/dbraw/zinc/60/57/17/662605717.db2.gz ZMXMYLXBZGUYRF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552714 662605719 /nfs/dbraw/zinc/60/57/19/662605719.db2.gz ZMXMYLXBZGUYRF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551670 662605731 /nfs/dbraw/zinc/60/57/31/662605731.db2.gz PTMKVNJKVJZXMQ-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027551670 662605733 /nfs/dbraw/zinc/60/57/33/662605733.db2.gz PTMKVNJKVJZXMQ-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000977683422 662605806 /nfs/dbraw/zinc/60/58/06/662605806.db2.gz ATTFHJWLYUDIQS-ZDEQEGDKSA-N 1 1 309.366 -1.190 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)c1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977742152 662606128 /nfs/dbraw/zinc/60/61/28/662606128.db2.gz JJOMHVUSMDCGRJ-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@@H]2C1 ZINC000977757298 662606181 /nfs/dbraw/zinc/60/61/81/662606181.db2.gz VEUPBUASHCCHCQ-XYYAHUGASA-N 1 1 304.350 -1.026 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1COCCO1 ZINC000977834967 662606352 /nfs/dbraw/zinc/60/63/52/662606352.db2.gz GVDFMBHWTCFUMR-YIYPIFLZSA-N 1 1 321.381 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811212 662606357 /nfs/dbraw/zinc/60/63/57/662606357.db2.gz UVQWURXDIDEYAH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811212 662606359 /nfs/dbraw/zinc/60/63/59/662606359.db2.gz UVQWURXDIDEYAH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811208 662606419 /nfs/dbraw/zinc/60/64/19/662606419.db2.gz UVQWURXDIDEYAH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000977811208 662606420 /nfs/dbraw/zinc/60/64/20/662606420.db2.gz UVQWURXDIDEYAH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1ncnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977775069 662606456 /nfs/dbraw/zinc/60/64/56/662606456.db2.gz QLXQUQXHLYEJPD-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000977941441 662607050 /nfs/dbraw/zinc/60/70/50/662607050.db2.gz CKDMZSWAWHMIPB-FVCCEPFGSA-N 1 1 320.393 -1.162 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)nn1 ZINC000977926259 662607099 /nfs/dbraw/zinc/60/70/99/662607099.db2.gz AFIZABCCVWAFHN-FVCCEPFGSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)nn1 ZINC000977926259 662607104 /nfs/dbraw/zinc/60/71/04/662607104.db2.gz AFIZABCCVWAFHN-FVCCEPFGSA-N 1 1 318.381 -1.112 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)nnn1C ZINC000977959019 662607542 /nfs/dbraw/zinc/60/75/42/662607542.db2.gz YJRKKSRAXFYNNW-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936556025 662607746 /nfs/dbraw/zinc/60/77/46/662607746.db2.gz MUDFAQIVWFYEPO-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936556026 662607844 /nfs/dbraw/zinc/60/78/44/662607844.db2.gz MUDFAQIVWFYEPO-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936556024 662607864 /nfs/dbraw/zinc/60/78/64/662607864.db2.gz MUDFAQIVWFYEPO-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC000978049763 662608498 /nfs/dbraw/zinc/60/84/98/662608498.db2.gz BRMOBXOEDDHBNJ-UIKWRGBMSA-N 1 1 306.370 -1.344 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC000978036501 662608555 /nfs/dbraw/zinc/60/85/55/662608555.db2.gz NZYRJDCWRDBTQQ-XYYAHUGASA-N 1 1 308.382 -1.495 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978080707 662608870 /nfs/dbraw/zinc/60/88/70/662608870.db2.gz KPERMVGUKSADTQ-DBIOUOCHSA-N 1 1 306.370 -1.143 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978084714 662608885 /nfs/dbraw/zinc/60/88/85/662608885.db2.gz SSHFVXPWLHYEKD-CHWFTXMASA-N 1 1 306.370 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978114938 662609109 /nfs/dbraw/zinc/60/91/09/662609109.db2.gz KBRQRJNWDXAHFH-RTCCRHLQSA-N 1 1 306.370 -1.189 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC000978113080 662609125 /nfs/dbraw/zinc/60/91/25/662609125.db2.gz GXYNGRFMRKFPIW-XWLWVQCSSA-N 1 1 306.370 -1.143 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1COC(=O)N1 ZINC000978117725 662609655 /nfs/dbraw/zinc/60/96/55/662609655.db2.gz VLJQQIRUYPKHIZ-WISYIIOYSA-N 1 1 320.353 -1.320 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)nn1 ZINC000978143499 662609873 /nfs/dbraw/zinc/60/98/73/662609873.db2.gz ICYPVEHPVOIFDB-RTCCRHLQSA-N 1 1 322.369 -1.683 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000978150315 662609962 /nfs/dbraw/zinc/60/99/62/662609962.db2.gz BRNMMYVKTHNQAM-CNDDSTCGSA-N 1 1 318.381 -1.045 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000978173837 662610406 /nfs/dbraw/zinc/61/04/06/662610406.db2.gz PARSBYHPKDDHMM-MMWGEVLESA-N 1 1 304.354 -1.389 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ncn1 ZINC000978200586 662611056 /nfs/dbraw/zinc/61/10/56/662611056.db2.gz RSCJTCJWYWDQNB-OWUUHHOZSA-N 1 1 305.338 -1.122 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000978229517 662611366 /nfs/dbraw/zinc/61/13/66/662611366.db2.gz JJEVBEHTRCRFAZ-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000978229509 662611405 /nfs/dbraw/zinc/61/14/05/662611405.db2.gz JJEVBEHTRCRFAZ-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)c(=O)n(C)c1=O ZINC001027600983 662611799 /nfs/dbraw/zinc/61/17/99/662611799.db2.gz OZSZQHGPPPIFPB-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cnc[nH]c1=O ZINC000978305392 662612067 /nfs/dbraw/zinc/61/20/67/662612067.db2.gz DEEZQHXUCCZLQE-IXLVHKGHSA-N 1 1 317.349 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1 ZINC000978319390 662612630 /nfs/dbraw/zinc/61/26/30/662612630.db2.gz VOQBSTSXFXHLLM-WISYIIOYSA-N 1 1 308.382 -1.305 20 0 DAADMO COCCn1nccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978353804 662612667 /nfs/dbraw/zinc/61/26/67/662612667.db2.gz VACNWCLXPZHUDJ-CNDDSTCGSA-N 1 1 321.381 -1.078 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC000978368403 662613073 /nfs/dbraw/zinc/61/30/73/662613073.db2.gz HOUWQQCQIGHVGT-FQUUOJAGSA-N 1 1 324.425 -1.253 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC000978392054 662613210 /nfs/dbraw/zinc/61/32/10/662613210.db2.gz OLPFXYQMETVPBZ-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001027617880 662613233 /nfs/dbraw/zinc/61/32/33/662613233.db2.gz BOMHCMYTZYRPFW-LBPRGKRZSA-N 1 1 324.381 -1.158 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cn[nH]n4)[C@@H]3C2)C1=O ZINC000978396859 662613256 /nfs/dbraw/zinc/61/32/56/662613256.db2.gz SJAAFQJXPSXZQR-GUDRVLHUSA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)C1=O ZINC000978396859 662613258 /nfs/dbraw/zinc/61/32/58/662613258.db2.gz SJAAFQJXPSXZQR-GUDRVLHUSA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)C1=O ZINC000978396859 662613259 /nfs/dbraw/zinc/61/32/59/662613259.db2.gz SJAAFQJXPSXZQR-GUDRVLHUSA-N 1 1 304.354 -1.057 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027616919 662613306 /nfs/dbraw/zinc/61/33/06/662613306.db2.gz NTBXEWLUMVSDQY-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cn[nH]n1 ZINC000978391115 662613359 /nfs/dbraw/zinc/61/33/59/662613359.db2.gz MEMPBCRTWBJGCW-GUDRVLHUSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978391115 662613360 /nfs/dbraw/zinc/61/33/60/662613360.db2.gz MEMPBCRTWBJGCW-GUDRVLHUSA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978391115 662613361 /nfs/dbraw/zinc/61/33/61/662613361.db2.gz MEMPBCRTWBJGCW-GUDRVLHUSA-N 1 1 304.354 -1.009 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000978387414 662613660 /nfs/dbraw/zinc/61/36/60/662613660.db2.gz IYJSVFUQMVCVAU-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000978387403 662613682 /nfs/dbraw/zinc/61/36/82/662613682.db2.gz IYJSVFUQMVCVAU-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)o3)[C@@H]2C1 ZINC000978454649 662614046 /nfs/dbraw/zinc/61/40/46/662614046.db2.gz ORITZIBKGFUBTH-PSVAKVPMSA-N 1 1 306.322 -1.229 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628771 662614182 /nfs/dbraw/zinc/61/41/82/662614182.db2.gz KGBRBLMYAKVCTE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4nnnn4c3)[C@@H]2C1 ZINC000978501049 662614302 /nfs/dbraw/zinc/61/43/02/662614302.db2.gz XKHCXAVQGSXERU-RTCCRHLQSA-N 1 1 315.337 -1.483 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1Cc2cncn2C(=O)N1 ZINC000978524557 662614337 /nfs/dbraw/zinc/61/43/37/662614337.db2.gz RTMZZUNKBPWCEJ-RVMXOQNASA-N 1 1 319.365 -1.348 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ncc1=O ZINC000978540511 662614370 /nfs/dbraw/zinc/61/43/70/662614370.db2.gz NJROCVCTJXADEO-OWUUHHOZSA-N 1 1 305.338 -1.827 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)n3C)[C@@H]2C1 ZINC000978590047 662614671 /nfs/dbraw/zinc/61/46/71/662614671.db2.gz BPECAUVJRNCVKG-AATLWQCWSA-N 1 1 307.354 -1.093 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC000978596574 662614685 /nfs/dbraw/zinc/61/46/85/662614685.db2.gz CDTBRWKLZLOQQU-KKOKHZNYSA-N 1 1 308.382 -1.495 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978611024 662614999 /nfs/dbraw/zinc/61/49/99/662614999.db2.gz GSDLPENMLHTKPK-MMWGEVLESA-N 1 1 319.369 -1.652 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)n1 ZINC000978617380 662615134 /nfs/dbraw/zinc/61/51/34/662615134.db2.gz SVSXHPIBHSRCRB-RTCCRHLQSA-N 1 1 317.357 -1.591 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000978627614 662615140 /nfs/dbraw/zinc/61/51/40/662615140.db2.gz DQMZISFWXNXMEG-QEYWKRMJSA-N 1 1 305.342 -1.994 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnn(C)n4)[C@@H]3C2)nn1 ZINC000978641940 662615168 /nfs/dbraw/zinc/61/51/68/662615168.db2.gz WAEZPKHGTLRGRJ-RTCCRHLQSA-N 1 1 317.357 -1.554 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnn(C)n4)[C@@H]3C2)nn1 ZINC000978641940 662615169 /nfs/dbraw/zinc/61/51/69/662615169.db2.gz WAEZPKHGTLRGRJ-RTCCRHLQSA-N 1 1 317.357 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978642023 662615233 /nfs/dbraw/zinc/61/52/33/662615233.db2.gz KTLMHBHEYUZTKS-AATLWQCWSA-N 1 1 305.338 -1.449 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000978627609 662615274 /nfs/dbraw/zinc/61/52/74/662615274.db2.gz DQMZISFWXNXMEG-DOLQZWNJSA-N 1 1 305.342 -1.994 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978642026 662615349 /nfs/dbraw/zinc/61/53/49/662615349.db2.gz KTLMHBHEYUZTKS-KYXWUPHJSA-N 1 1 305.338 -1.449 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)n1 ZINC000978622219 662615368 /nfs/dbraw/zinc/61/53/68/662615368.db2.gz BEEUMKGRSSLTPF-MMWGEVLESA-N 1 1 319.369 -1.604 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978637883 662615384 /nfs/dbraw/zinc/61/53/84/662615384.db2.gz CTJMLELMMPHNAN-RTCCRHLQSA-N 1 1 319.365 -1.234 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1c[nH]c(=O)cn1 ZINC000978636126 662615393 /nfs/dbraw/zinc/61/53/93/662615393.db2.gz ABMNZZRWYWQQFY-GUDRVLHUSA-N 1 1 317.349 -1.434 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978677822 662615807 /nfs/dbraw/zinc/61/58/07/662615807.db2.gz VOBORYRWNIKCRB-CHWFTXMASA-N 1 1 309.370 -1.950 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978670258 662615953 /nfs/dbraw/zinc/61/59/53/662615953.db2.gz GKUBCGFGXNVPFB-WISYIIOYSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978670258 662615954 /nfs/dbraw/zinc/61/59/54/662615954.db2.gz GKUBCGFGXNVPFB-WISYIIOYSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CNC(=O)N4)[C@@H]3C2)cn1 ZINC000978677811 662615993 /nfs/dbraw/zinc/61/59/93/662615993.db2.gz VNODDKJBJZKTIZ-FVCCEPFGSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)cn1 ZINC000978677815 662615999 /nfs/dbraw/zinc/61/59/99/662615999.db2.gz VNODDKJBJZKTIZ-RVMXOQNASA-N 1 1 318.381 -1.105 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)n1 ZINC001027659861 662616241 /nfs/dbraw/zinc/61/62/41/662616241.db2.gz YJXQLGGYXAFFDC-GFCCVEGCSA-N 1 1 321.381 -1.040 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)n1 ZINC001027659861 662616242 /nfs/dbraw/zinc/61/62/42/662616242.db2.gz YJXQLGGYXAFFDC-GFCCVEGCSA-N 1 1 321.381 -1.040 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)O1 ZINC000978705540 662616274 /nfs/dbraw/zinc/61/62/74/662616274.db2.gz MKBPJSMSWVTBQS-IEECTRCBSA-N 1 1 311.382 -1.304 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038767854 662616410 /nfs/dbraw/zinc/61/64/10/662616410.db2.gz LTLGTHWACGUFNZ-MNOVXSKESA-N 1 1 324.381 -1.077 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978746820 662616817 /nfs/dbraw/zinc/61/68/17/662616817.db2.gz SHVCOGGCLQBEJG-MLGHIDQZSA-N 1 1 320.393 -1.320 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)ccc1=O ZINC001027672934 662616943 /nfs/dbraw/zinc/61/69/43/662616943.db2.gz LLYWMFHCHUYMKB-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)ccc1=O ZINC001027672934 662616945 /nfs/dbraw/zinc/61/69/45/662616945.db2.gz LLYWMFHCHUYMKB-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673162 662617111 /nfs/dbraw/zinc/61/71/11/662617111.db2.gz DYGXDJTZYWDSEJ-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001027673164 662617176 /nfs/dbraw/zinc/61/71/76/662617176.db2.gz DYGXDJTZYWDSEJ-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673504 662617272 /nfs/dbraw/zinc/61/72/72/662617272.db2.gz JKJAMTADOMGWRH-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673165 662617322 /nfs/dbraw/zinc/61/73/22/662617322.db2.gz DYGXDJTZYWDSEJ-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000978796156 662617400 /nfs/dbraw/zinc/61/74/00/662617400.db2.gz OYNCCMUQUOSBOU-MMWGEVLESA-N 1 1 310.354 -1.475 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001027677719 662617421 /nfs/dbraw/zinc/61/74/21/662617421.db2.gz ZJYOJTOGDTUDBE-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001027677719 662617422 /nfs/dbraw/zinc/61/74/22/662617422.db2.gz ZJYOJTOGDTUDBE-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001027677718 662617522 /nfs/dbraw/zinc/61/75/22/662617522.db2.gz ZJYOJTOGDTUDBE-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)[nH]c1=O ZINC001027677718 662617523 /nfs/dbraw/zinc/61/75/23/662617523.db2.gz ZJYOJTOGDTUDBE-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000978829303 662617534 /nfs/dbraw/zinc/61/75/34/662617534.db2.gz DNXRMSZRVNERGD-SDDRHHMPSA-N 1 1 321.385 -1.364 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)C1=O ZINC000978859991 662617697 /nfs/dbraw/zinc/61/76/97/662617697.db2.gz CNEWXFKXXNRKFZ-CHWFTXMASA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)C1=O ZINC000978859991 662617698 /nfs/dbraw/zinc/61/76/98/662617698.db2.gz CNEWXFKXXNRKFZ-CHWFTXMASA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)C1=O ZINC000978859991 662617699 /nfs/dbraw/zinc/61/76/99/662617699.db2.gz CNEWXFKXXNRKFZ-CHWFTXMASA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC000978859991 662617700 /nfs/dbraw/zinc/61/77/00/662617700.db2.gz CNEWXFKXXNRKFZ-CHWFTXMASA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC000978859991 662617701 /nfs/dbraw/zinc/61/77/01/662617701.db2.gz CNEWXFKXXNRKFZ-CHWFTXMASA-N 1 1 304.354 -1.057 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978873859 662617778 /nfs/dbraw/zinc/61/77/78/662617778.db2.gz CWCAARHWNAXCLB-MWGHHZFTSA-N 1 1 306.370 -1.013 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000978883754 662617898 /nfs/dbraw/zinc/61/78/98/662617898.db2.gz OUQRAWUFYOYCDV-AXFHLTTASA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000978883754 662617900 /nfs/dbraw/zinc/61/79/00/662617900.db2.gz OUQRAWUFYOYCDV-AXFHLTTASA-N 1 1 312.370 -1.797 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)S1(=O)=O ZINC000978861666 662617906 /nfs/dbraw/zinc/61/79/06/662617906.db2.gz XNZZWUOXUCWPGD-WISYIIOYSA-N 1 1 317.411 -1.693 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000978876506 662618041 /nfs/dbraw/zinc/61/80/41/662618041.db2.gz LDZGJCDQFOJXLV-GUDRVLHUSA-N 1 1 304.354 -1.389 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000978893855 662618055 /nfs/dbraw/zinc/61/80/55/662618055.db2.gz BJABMEZCUUUBBC-WHOHXGKFSA-N 1 1 324.381 -1.654 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)nn1 ZINC000978887079 662618205 /nfs/dbraw/zinc/61/82/05/662618205.db2.gz AJLBOOPITMTUCI-RTCCRHLQSA-N 1 1 306.370 -1.048 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027693763 662618240 /nfs/dbraw/zinc/61/82/40/662618240.db2.gz JCGKELKBZREHQQ-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692340 662618245 /nfs/dbraw/zinc/61/82/45/662618245.db2.gz GLZKKMCLCXAAMS-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000978912593 662618286 /nfs/dbraw/zinc/61/82/86/662618286.db2.gz LUCIFQNQFNTNIV-WKJUBOCMSA-N 1 1 319.365 -1.105 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000978927034 662618461 /nfs/dbraw/zinc/61/84/61/662618461.db2.gz GULSIKARXYDZAP-RTCCRHLQSA-N 1 1 305.338 -1.122 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000978914880 662618520 /nfs/dbraw/zinc/61/85/20/662618520.db2.gz OVKOCPMUMDWVCQ-RTCCRHLQSA-N 1 1 319.365 -1.233 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(N)=O)[C@@H]2C1 ZINC000978953560 662618535 /nfs/dbraw/zinc/61/85/35/662618535.db2.gz VFJHJAIHKFRJLI-YFKTTZPYSA-N 1 1 323.397 -1.301 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027703410 662618631 /nfs/dbraw/zinc/61/86/31/662618631.db2.gz BVHROACWEIEOLO-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001027703410 662618632 /nfs/dbraw/zinc/61/86/32/662618632.db2.gz BVHROACWEIEOLO-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000979041818 662619446 /nfs/dbraw/zinc/61/94/46/662619446.db2.gz BLYJHVUHPREUGL-RTCCRHLQSA-N 1 1 319.365 -1.135 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC000979033717 662619482 /nfs/dbraw/zinc/61/94/82/662619482.db2.gz BPRKDXWGDPXZRD-RTCCRHLQSA-N 1 1 319.365 -1.566 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076596 662619688 /nfs/dbraw/zinc/61/96/88/662619688.db2.gz YYGHZURGLUEDKR-YIYPIFLZSA-N 1 1 324.425 -1.253 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979075775 662619747 /nfs/dbraw/zinc/61/97/47/662619747.db2.gz XIZPMAIHQTZYER-FVCCEPFGSA-N 1 1 310.398 -1.514 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC000979076797 662619878 /nfs/dbraw/zinc/61/98/78/662619878.db2.gz IBZXXRLWMOZVBX-DBIOUOCHSA-N 1 1 322.369 -1.948 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000979071400 662620068 /nfs/dbraw/zinc/62/00/68/662620068.db2.gz HLRYXIYGMATGRJ-QEYWKRMJSA-N 1 1 316.383 -2.543 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nncn4C3)[C@@H]2C1 ZINC000979091223 662620185 /nfs/dbraw/zinc/62/01/85/662620185.db2.gz QJHYTDZBVAQXIO-KKOKHZNYSA-N 1 1 318.381 -1.380 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC000979070948 662620217 /nfs/dbraw/zinc/62/02/17/662620217.db2.gz MBSXGFFNSCKXKC-XWLWVQCSSA-N 1 1 322.365 -1.226 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]c3=O)[C@@H]2C1 ZINC000979070935 662620221 /nfs/dbraw/zinc/62/02/21/662620221.db2.gz MBSXGFFNSCKXKC-DBIOUOCHSA-N 1 1 322.365 -1.226 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N(C)C3)[C@@H]2C1 ZINC000979098660 662620554 /nfs/dbraw/zinc/62/05/54/662620554.db2.gz KEGDZNBCCIFPHR-LPWJVIDDSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(N)=O)[C@@H]2C1 ZINC000979116514 662620688 /nfs/dbraw/zinc/62/06/88/662620688.db2.gz PHRHXHLLAPKSNK-YFKTTZPYSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979196400 662621854 /nfs/dbraw/zinc/62/18/54/662621854.db2.gz SYVUUGSPFRASQI-KOLCDFICSA-N 1 1 322.329 -1.538 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC000979196397 662622154 /nfs/dbraw/zinc/62/21/54/662622154.db2.gz SYVUUGSPFRASQI-GXSJLCMTSA-N 1 1 322.329 -1.538 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979230190 662622290 /nfs/dbraw/zinc/62/22/90/662622290.db2.gz ASFQGHIXHXTSNS-KOLCDFICSA-N 1 1 311.342 -1.041 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC000979240207 662622334 /nfs/dbraw/zinc/62/23/34/662622334.db2.gz TUPGWCSRXFABAQ-WCBMZHEXSA-N 1 1 310.358 -1.306 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979229309 662622492 /nfs/dbraw/zinc/62/24/92/662622492.db2.gz KSVKKNAUYIVDSY-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979229317 662622529 /nfs/dbraw/zinc/62/25/29/662622529.db2.gz KSVKKNAUYIVDSY-ONGXEEELSA-N 1 1 320.357 -1.048 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000979230305 662622543 /nfs/dbraw/zinc/62/25/43/662622543.db2.gz PHZMDXVKJOGQAN-WISYIIOYSA-N 1 1 323.397 -1.370 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979230192 662622549 /nfs/dbraw/zinc/62/25/49/662622549.db2.gz ASFQGHIXHXTSNS-ONGXEEELSA-N 1 1 311.342 -1.041 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC000979298730 662622896 /nfs/dbraw/zinc/62/28/96/662622896.db2.gz GYGFYGZOVXAFLM-UWVGGRQHSA-N 1 1 320.357 -1.048 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)nn1 ZINC000979255200 662622901 /nfs/dbraw/zinc/62/29/01/662622901.db2.gz KQMYXQGLECUWLK-JQWIXIFHSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231061 662623108 /nfs/dbraw/zinc/62/31/08/662623108.db2.gz DDLVWHUDOIDZNC-MWLCHTKSSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979340430 662623213 /nfs/dbraw/zinc/62/32/13/662623213.db2.gz JUEWLJVTWQOSFR-JOYOIKCWSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979315898 662623230 /nfs/dbraw/zinc/62/32/30/662623230.db2.gz RECGVDHOORDSIZ-PSASIEDQSA-N 1 1 321.345 -1.653 20 0 DAADMO CCCn1ncnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979362422 662623302 /nfs/dbraw/zinc/62/33/02/662623302.db2.gz SOZRUDGNPKEBFV-GHMZBOCLSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361742 662623309 /nfs/dbraw/zinc/62/33/09/662623309.db2.gz ROZREXYOVNMASK-WPRPVWTQSA-N 1 1 322.369 -1.127 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979315907 662623384 /nfs/dbraw/zinc/62/33/84/662623384.db2.gz RECGVDHOORDSIZ-WPRPVWTQSA-N 1 1 321.345 -1.653 20 0 DAADMO Cc1cnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)nc1 ZINC000979361781 662623388 /nfs/dbraw/zinc/62/33/88/662623388.db2.gz RZTVQOHLWJMACK-MNOVXSKESA-N 1 1 307.354 -1.024 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979340421 662623463 /nfs/dbraw/zinc/62/34/63/662623463.db2.gz JUEWLJVTWQOSFR-CABZTGNLSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373772 662623650 /nfs/dbraw/zinc/62/36/50/662623650.db2.gz ISELTRXIXCZIOR-SCZZXKLOSA-N 1 1 322.329 -1.388 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979349510 662623916 /nfs/dbraw/zinc/62/39/16/662623916.db2.gz UZBMZNDSJAYYIV-SKDRFNHKSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979391782 662624156 /nfs/dbraw/zinc/62/41/56/662624156.db2.gz CMUKOPLHUXMJGH-NXEZZACHSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398908 662624164 /nfs/dbraw/zinc/62/41/64/662624164.db2.gz SJLBSAKRHUKJIT-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979395319 662624279 /nfs/dbraw/zinc/62/42/79/662624279.db2.gz LWAHXIFETAJZKB-BDAKNGLRSA-N 1 1 321.345 -1.653 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979392535 662624413 /nfs/dbraw/zinc/62/44/13/662624413.db2.gz DLFSYJPMKGBTCF-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398064 662624482 /nfs/dbraw/zinc/62/44/82/662624482.db2.gz RAKQVDZRLKZRPL-ZJUUUORDSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979401094 662624499 /nfs/dbraw/zinc/62/44/99/662624499.db2.gz WBFCOPJKAPODCW-SCZZXKLOSA-N 1 1 322.329 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979524689 662624836 /nfs/dbraw/zinc/62/48/36/662624836.db2.gz ZHNJWXOMYKBHMJ-SRVKXCTJSA-N 1 1 321.385 -1.364 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000979899914 662628889 /nfs/dbraw/zinc/62/88/89/662628889.db2.gz BJABMEZCUUUBBC-DDHJBXDOSA-N 1 1 324.381 -1.654 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931659557 662630750 /nfs/dbraw/zinc/63/07/50/662630750.db2.gz WUOBSASUBNFJJA-ZJUUUORDSA-N 1 1 305.400 -1.254 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027858866 662630925 /nfs/dbraw/zinc/63/09/25/662630925.db2.gz IMXYJMLRCHUKDN-NXEZZACHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001027858866 662630927 /nfs/dbraw/zinc/63/09/27/662630927.db2.gz IMXYJMLRCHUKDN-NXEZZACHSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC001027860569 662630943 /nfs/dbraw/zinc/63/09/43/662630943.db2.gz JPINTZOSHALKLE-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC001027860569 662630944 /nfs/dbraw/zinc/63/09/44/662630944.db2.gz JPINTZOSHALKLE-QWRGUYRKSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001010074560 662631909 /nfs/dbraw/zinc/63/19/09/662631909.db2.gz BADJEQYOBJYXHI-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001010074560 662631910 /nfs/dbraw/zinc/63/19/10/662631910.db2.gz BADJEQYOBJYXHI-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001027867137 662631918 /nfs/dbraw/zinc/63/19/18/662631918.db2.gz MAISKHQTJRJBTJ-UWVGGRQHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001027867137 662631919 /nfs/dbraw/zinc/63/19/19/662631919.db2.gz MAISKHQTJRJBTJ-UWVGGRQHSA-N 1 1 320.353 -1.186 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C1 ZINC000980167080 662633648 /nfs/dbraw/zinc/63/36/48/662633648.db2.gz RXDWHGKFYDIQJI-CKYFFXLPSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(CN1CCCC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010102866 662634102 /nfs/dbraw/zinc/63/41/02/662634102.db2.gz BMGJEAOJQCNNQF-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1CCCC1=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010102866 662634105 /nfs/dbraw/zinc/63/41/05/662634105.db2.gz BMGJEAOJQCNNQF-WDEREUQCSA-N 1 1 322.365 -1.396 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cncn3)C[C@@H]2C1 ZINC000980239208 662634509 /nfs/dbraw/zinc/63/45/09/662634509.db2.gz YKTFDIOKUFTYAZ-TUAOUCFPSA-N 1 1 306.370 -1.020 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)n1C ZINC000980294858 662635137 /nfs/dbraw/zinc/63/51/37/662635137.db2.gz IGBMVURGSAIVSX-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1C ZINC000980294858 662635138 /nfs/dbraw/zinc/63/51/38/662635138.db2.gz IGBMVURGSAIVSX-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000980322029 662635360 /nfs/dbraw/zinc/63/53/60/662635360.db2.gz HXJKGSDKYITYGJ-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353713 662635503 /nfs/dbraw/zinc/63/55/03/662635503.db2.gz SUQGYNAOZCMVKY-QWRGUYRKSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353819 662635585 /nfs/dbraw/zinc/63/55/85/662635585.db2.gz VFLPDTAVXBAHHJ-NXEZZACHSA-N 1 1 310.354 -1.458 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353712 662635619 /nfs/dbraw/zinc/63/56/19/662635619.db2.gz SUQGYNAOZCMVKY-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980351320 662635905 /nfs/dbraw/zinc/63/59/05/662635905.db2.gz ZAZXOFOPXZXDLV-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)no1 ZINC000980383884 662636379 /nfs/dbraw/zinc/63/63/79/662636379.db2.gz WQUWDQBDGLJELX-VIFPVBQESA-N 1 1 309.326 -1.060 20 0 DAADMO Cc1cc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)no1 ZINC000980383884 662636380 /nfs/dbraw/zinc/63/63/80/662636380.db2.gz WQUWDQBDGLJELX-VIFPVBQESA-N 1 1 309.326 -1.060 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980426813 662636553 /nfs/dbraw/zinc/63/65/53/662636553.db2.gz KIXYBNDMBDHCFH-BDAKNGLRSA-N 1 1 304.372 -2.304 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980426813 662636555 /nfs/dbraw/zinc/63/65/55/662636555.db2.gz KIXYBNDMBDHCFH-BDAKNGLRSA-N 1 1 304.372 -2.304 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980385336 662636588 /nfs/dbraw/zinc/63/65/88/662636588.db2.gz CCFHAZLIZTUHLW-IUCAKERBSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000980385335 662636721 /nfs/dbraw/zinc/63/67/21/662636721.db2.gz CCFHAZLIZTUHLW-DTWKUNHWSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980484252 662636846 /nfs/dbraw/zinc/63/68/46/662636846.db2.gz YIIQVNSOYSGAKR-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC000980502327 662637101 /nfs/dbraw/zinc/63/71/01/662637101.db2.gz GYRNGHGFSAEVJH-VHSXEESVSA-N 1 1 309.370 -1.256 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)n(C)c1=O ZINC000980499954 662637317 /nfs/dbraw/zinc/63/73/17/662637317.db2.gz BGKHPMBPMSRZRW-GHMZBOCLSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cn(C)nn1 ZINC000980562749 662637454 /nfs/dbraw/zinc/63/74/54/662637454.db2.gz VTPRMZQWDRYNFM-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO COCC(=O)N1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000980580245 662637565 /nfs/dbraw/zinc/63/75/65/662637565.db2.gz SPBAOGDHHUEFKA-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO COCC(=O)N1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000980580245 662637567 /nfs/dbraw/zinc/63/75/67/662637567.db2.gz SPBAOGDHHUEFKA-UHFFFAOYSA-N 1 1 324.381 -1.235 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010199536 662637890 /nfs/dbraw/zinc/63/78/90/662637890.db2.gz YSYBLCIKXLLYMI-MNOVXSKESA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010199536 662637892 /nfs/dbraw/zinc/63/78/92/662637892.db2.gz YSYBLCIKXLLYMI-MNOVXSKESA-N 1 1 305.338 -1.121 20 0 DAADMO C[C@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000980673579 662637908 /nfs/dbraw/zinc/63/79/08/662637908.db2.gz GVVRHVPXADDSPH-IUCAKERBSA-N 1 1 320.361 -1.626 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000980679664 662637929 /nfs/dbraw/zinc/63/79/29/662637929.db2.gz WFEQFLJTXNJBKH-UHFFFAOYSA-N 1 1 305.346 -1.501 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010213625 662638233 /nfs/dbraw/zinc/63/82/33/662638233.db2.gz NQTVNZUSTHXEOB-LLVKDONJSA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000980677516 662638297 /nfs/dbraw/zinc/63/82/97/662638297.db2.gz NPCLBRWGMIYXBF-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000980677516 662638299 /nfs/dbraw/zinc/63/82/99/662638299.db2.gz NPCLBRWGMIYXBF-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnn(C)n1 ZINC000980719714 662638314 /nfs/dbraw/zinc/63/83/14/662638314.db2.gz VCVUTTSJKLKJTM-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027977997 662639187 /nfs/dbraw/zinc/63/91/87/662639187.db2.gz DZIIAXXTLIRTMR-ZJUUUORDSA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027977997 662639188 /nfs/dbraw/zinc/63/91/88/662639188.db2.gz DZIIAXXTLIRTMR-ZJUUUORDSA-N 1 1 322.369 -1.388 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001010248602 662639585 /nfs/dbraw/zinc/63/95/85/662639585.db2.gz UOCRRCWSOPGIPE-UHFFFAOYSA-N 1 1 318.341 -1.451 20 0 DAADMO Cn1nnc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC000980889820 662640504 /nfs/dbraw/zinc/64/05/04/662640504.db2.gz DSSHTHXEEWDCFX-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO Cn1nnc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC000980889820 662640506 /nfs/dbraw/zinc/64/05/06/662640506.db2.gz DSSHTHXEEWDCFX-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981016065 662640694 /nfs/dbraw/zinc/64/06/94/662640694.db2.gz RNAOZKJRLYCEQK-UHFFFAOYSA-N 1 1 320.357 -1.190 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015647 662640970 /nfs/dbraw/zinc/64/09/70/662640970.db2.gz CAUBJVUDUJTHKM-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015647 662640971 /nfs/dbraw/zinc/64/09/71/662640971.db2.gz CAUBJVUDUJTHKM-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1=O ZINC000981059810 662641268 /nfs/dbraw/zinc/64/12/68/662641268.db2.gz LYLMCIWIIFXCKL-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1=O ZINC000981059810 662641270 /nfs/dbraw/zinc/64/12/70/662641270.db2.gz LYLMCIWIIFXCKL-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000950064000 662641285 /nfs/dbraw/zinc/64/12/85/662641285.db2.gz HPQHCUFLALNNBH-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)C1=O ZINC000981016217 662641291 /nfs/dbraw/zinc/64/12/91/662641291.db2.gz ZGHDRMXVWYNMCY-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)CN3CN=NC3=O)CC2)C1=O ZINC000981016217 662641294 /nfs/dbraw/zinc/64/12/94/662641294.db2.gz ZGHDRMXVWYNMCY-NSHDSACASA-N 1 1 322.369 -1.251 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000981092416 662641316 /nfs/dbraw/zinc/64/13/16/662641316.db2.gz WHDNBBHAXMRATI-HBNTYKKESA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000981092416 662641317 /nfs/dbraw/zinc/64/13/17/662641317.db2.gz WHDNBBHAXMRATI-HBNTYKKESA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000950063996 662641337 /nfs/dbraw/zinc/64/13/37/662641337.db2.gz HPQHCUFLALNNBH-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1=O ZINC000981059811 662641341 /nfs/dbraw/zinc/64/13/41/662641341.db2.gz LYLMCIWIIFXCKL-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1=O ZINC000981059811 662641342 /nfs/dbraw/zinc/64/13/42/662641342.db2.gz LYLMCIWIIFXCKL-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000981092670 662641712 /nfs/dbraw/zinc/64/17/12/662641712.db2.gz XFWAKFOJNVOOGH-NXEZZACHSA-N 1 1 320.361 -1.586 20 0 DAADMO NC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037340 662641973 /nfs/dbraw/zinc/64/19/73/662641973.db2.gz VIIYUTMQHMIHMT-BTJONVMOSA-N 1 1 322.409 -1.085 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043367 662642129 /nfs/dbraw/zinc/64/21/29/662642129.db2.gz MFVSNJVAERIVQJ-KOLCDFICSA-N 1 1 320.353 -1.569 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028043367 662642130 /nfs/dbraw/zinc/64/21/30/662642130.db2.gz MFVSNJVAERIVQJ-KOLCDFICSA-N 1 1 320.353 -1.569 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197447 662642423 /nfs/dbraw/zinc/64/24/23/662642423.db2.gz BSADEDUUHYSQLM-UHFFFAOYSA-N 1 1 310.358 -1.442 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001028047821 662642516 /nfs/dbraw/zinc/64/25/16/662642516.db2.gz JCGQCEFQBOSNCA-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CCC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001028061447 662642837 /nfs/dbraw/zinc/64/28/37/662642837.db2.gz QRYMPFWDCYJGPZ-SNVBAGLBSA-N 1 1 320.357 -1.120 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001028069411 662643386 /nfs/dbraw/zinc/64/33/86/662643386.db2.gz IIUZZCAHFKFYOD-MRVPVSSYSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001028069411 662643387 /nfs/dbraw/zinc/64/33/87/662643387.db2.gz IIUZZCAHFKFYOD-MRVPVSSYSA-N 1 1 309.326 -1.835 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1CCNC1=O ZINC001028071324 662643393 /nfs/dbraw/zinc/64/33/93/662643393.db2.gz BEJIGHKJIHKZRD-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076662 662643540 /nfs/dbraw/zinc/64/35/40/662643540.db2.gz UOCNYSYQYIUNRL-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)NC1=O ZINC001028076662 662643542 /nfs/dbraw/zinc/64/35/42/662643542.db2.gz UOCNYSYQYIUNRL-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCC[N@@H+](CCCO)CC2)c1=O ZINC000981282243 662643618 /nfs/dbraw/zinc/64/36/18/662643618.db2.gz BHFYGPSMTJGHCY-UHFFFAOYSA-N 1 1 324.381 -1.536 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981321404 662644039 /nfs/dbraw/zinc/64/40/39/662644039.db2.gz BIIYLRMRUPQATH-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981321404 662644041 /nfs/dbraw/zinc/64/40/41/662644041.db2.gz BIIYLRMRUPQATH-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981390460 662644678 /nfs/dbraw/zinc/64/46/78/662644678.db2.gz GFADELBGENVECH-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981390460 662644680 /nfs/dbraw/zinc/64/46/80/662644680.db2.gz GFADELBGENVECH-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612649 662645641 /nfs/dbraw/zinc/64/56/41/662645641.db2.gz WRCVNORRHZNAMA-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[N@@H+](CCCO)CC2)c1=O ZINC000981673351 662646010 /nfs/dbraw/zinc/64/60/10/662646010.db2.gz HJECXGKVECIQBJ-UHFFFAOYSA-N 1 1 311.386 -1.111 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646918 662646048 /nfs/dbraw/zinc/64/60/48/662646048.db2.gz UHQXAOBOTOARPB-UYJPIKCFSA-N 1 1 322.409 -1.131 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001028109888 662646241 /nfs/dbraw/zinc/64/62/41/662646241.db2.gz PEDVTBCJADFGBC-WDEREUQCSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001028109888 662646243 /nfs/dbraw/zinc/64/62/43/662646243.db2.gz PEDVTBCJADFGBC-WDEREUQCSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981686587 662646280 /nfs/dbraw/zinc/64/62/80/662646280.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981686587 662646283 /nfs/dbraw/zinc/64/62/83/662646283.db2.gz UKBDBCZQGYUKHP-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981646917 662646362 /nfs/dbraw/zinc/64/63/62/662646362.db2.gz UHQXAOBOTOARPB-MFOWVQHXSA-N 1 1 322.409 -1.131 20 0 DAADMO COC[C@H](C)[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981743379 662646597 /nfs/dbraw/zinc/64/65/97/662646597.db2.gz YSXJSDIUFLMENF-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981750214 662646604 /nfs/dbraw/zinc/64/66/04/662646604.db2.gz UBBFMBQCVUNPET-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981750214 662646605 /nfs/dbraw/zinc/64/66/05/662646605.db2.gz UBBFMBQCVUNPET-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981719413 662646761 /nfs/dbraw/zinc/64/67/61/662646761.db2.gz DNLVQJZRJUJZAS-UHFFFAOYSA-N 1 1 310.398 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC000981719413 662646764 /nfs/dbraw/zinc/64/67/64/662646764.db2.gz DNLVQJZRJUJZAS-UHFFFAOYSA-N 1 1 310.398 -1.272 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981742859 662646835 /nfs/dbraw/zinc/64/68/35/662646835.db2.gz LEKUOKJXYUJFPS-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981742859 662646837 /nfs/dbraw/zinc/64/68/37/662646837.db2.gz LEKUOKJXYUJFPS-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750642 662646862 /nfs/dbraw/zinc/64/68/62/662646862.db2.gz FPDZTLRFOWVOGH-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750642 662646863 /nfs/dbraw/zinc/64/68/63/662646863.db2.gz FPDZTLRFOWVOGH-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750787 662646877 /nfs/dbraw/zinc/64/68/77/662646877.db2.gz JULJAXJZUDQMBW-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981750787 662646878 /nfs/dbraw/zinc/64/68/78/662646878.db2.gz JULJAXJZUDQMBW-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O ZINC000981749949 662647028 /nfs/dbraw/zinc/64/70/28/662647028.db2.gz NJFDHUKVWXBHRV-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)C1=O ZINC000981749949 662647031 /nfs/dbraw/zinc/64/70/31/662647031.db2.gz NJFDHUKVWXBHRV-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981789391 662647486 /nfs/dbraw/zinc/64/74/86/662647486.db2.gz FTFMPQJNYDFHTE-UHFFFAOYSA-N 1 1 302.396 -1.052 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981789391 662647489 /nfs/dbraw/zinc/64/74/89/662647489.db2.gz FTFMPQJNYDFHTE-UHFFFAOYSA-N 1 1 302.396 -1.052 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981818880 662647662 /nfs/dbraw/zinc/64/76/62/662647662.db2.gz GUGPLUUWVUPNIA-JTQLQIEISA-N 1 1 310.354 -1.499 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981770693 662647717 /nfs/dbraw/zinc/64/77/17/662647717.db2.gz AKYMTTOOLUILMW-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)C1=O ZINC000981790334 662647776 /nfs/dbraw/zinc/64/77/76/662647776.db2.gz RSHMUKJLSVVUAB-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)C1=O ZINC000981790334 662647777 /nfs/dbraw/zinc/64/77/77/662647777.db2.gz RSHMUKJLSVVUAB-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981850580 662647983 /nfs/dbraw/zinc/64/79/83/662647983.db2.gz MLEXTLVNQOOFTF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981850580 662647985 /nfs/dbraw/zinc/64/79/85/662647985.db2.gz MLEXTLVNQOOFTF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981853467 662648250 /nfs/dbraw/zinc/64/82/50/662648250.db2.gz QLJOLRJEJFGHRN-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981853467 662648254 /nfs/dbraw/zinc/64/82/54/662648254.db2.gz QLJOLRJEJFGHRN-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981850425 662648340 /nfs/dbraw/zinc/64/83/40/662648340.db2.gz HLJMGMWQRGXFOM-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981850425 662648343 /nfs/dbraw/zinc/64/83/43/662648343.db2.gz HLJMGMWQRGXFOM-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981853731 662648457 /nfs/dbraw/zinc/64/84/57/662648457.db2.gz VBPJOQIWQBJZQH-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981853731 662648458 /nfs/dbraw/zinc/64/84/58/662648458.db2.gz VBPJOQIWQBJZQH-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981850909 662648557 /nfs/dbraw/zinc/64/85/57/662648557.db2.gz WGJPNKROHXPKPG-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981850909 662648559 /nfs/dbraw/zinc/64/85/59/662648559.db2.gz WGJPNKROHXPKPG-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981853466 662648608 /nfs/dbraw/zinc/64/86/08/662648608.db2.gz QLJOLRJEJFGHRN-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981853466 662648611 /nfs/dbraw/zinc/64/86/11/662648611.db2.gz QLJOLRJEJFGHRN-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981933889 662649327 /nfs/dbraw/zinc/64/93/27/662649327.db2.gz XXQZHYGDDWOWRV-UHFFFAOYSA-N 1 1 310.398 -1.665 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933932 662649472 /nfs/dbraw/zinc/64/94/72/662649472.db2.gz ZMTYQPJUXOTDAK-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cnn(CCC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)c1=O ZINC000981917666 662649511 /nfs/dbraw/zinc/64/95/11/662649511.db2.gz JFJYHKFTKNKPEL-UHFFFAOYSA-N 1 1 323.397 -1.111 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC000981935775 662650030 /nfs/dbraw/zinc/65/00/30/662650030.db2.gz SEHVELKHBDTGOI-JTQLQIEISA-N 1 1 309.370 -1.580 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC000981935775 662650031 /nfs/dbraw/zinc/65/00/31/662650031.db2.gz SEHVELKHBDTGOI-JTQLQIEISA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)C1 ZINC000981932498 662650102 /nfs/dbraw/zinc/65/01/02/662650102.db2.gz ABUFUSPVQVUUHK-GHMZBOCLSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)C1 ZINC000981932498 662650104 /nfs/dbraw/zinc/65/01/04/662650104.db2.gz ABUFUSPVQVUUHK-GHMZBOCLSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934411 662650181 /nfs/dbraw/zinc/65/01/81/662650181.db2.gz CZDYQNMSQPXUBM-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000981934411 662650183 /nfs/dbraw/zinc/65/01/83/662650183.db2.gz CZDYQNMSQPXUBM-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981935803 662650221 /nfs/dbraw/zinc/65/02/21/662650221.db2.gz SXQCVAJLDGYFBC-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981935803 662650224 /nfs/dbraw/zinc/65/02/24/662650224.db2.gz SXQCVAJLDGYFBC-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001038158582 662650419 /nfs/dbraw/zinc/65/04/19/662650419.db2.gz SOKNYBZDIGLDSX-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001038158582 662650422 /nfs/dbraw/zinc/65/04/22/662650422.db2.gz SOKNYBZDIGLDSX-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946337 662650569 /nfs/dbraw/zinc/65/05/69/662650569.db2.gz AJTOJNPNZZWLAQ-SECBINFHSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946337 662650570 /nfs/dbraw/zinc/65/05/70/662650570.db2.gz AJTOJNPNZZWLAQ-SECBINFHSA-N 1 1 307.358 -1.378 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000981979716 662651237 /nfs/dbraw/zinc/65/12/37/662651237.db2.gz JEDRLAVDJFUOBO-GFCCVEGCSA-N 1 1 321.381 -1.346 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000981979409 662651329 /nfs/dbraw/zinc/65/13/29/662651329.db2.gz WSUBYRDRJBUZLJ-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)S1(=O)=O ZINC001028197036 662651377 /nfs/dbraw/zinc/65/13/77/662651377.db2.gz WCPMPYZPPLPQAN-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000981979690 662651415 /nfs/dbraw/zinc/65/14/15/662651415.db2.gz IIDFKHXWIUNEBI-UHFFFAOYSA-N 1 1 322.365 -1.455 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982015327 662651542 /nfs/dbraw/zinc/65/15/42/662651542.db2.gz AJZWILYLVAYSDV-GRYCIOLGSA-N 1 1 320.393 -1.079 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)ccc1=O ZINC001028209752 662651679 /nfs/dbraw/zinc/65/16/79/662651679.db2.gz OJSPAQWJUIBWGP-JTQLQIEISA-N 1 1 307.354 -1.057 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)ccc1=O ZINC001028209752 662651681 /nfs/dbraw/zinc/65/16/81/662651681.db2.gz OJSPAQWJUIBWGP-JTQLQIEISA-N 1 1 307.354 -1.057 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1cn[nH]n1)CCO2 ZINC000949132606 662651706 /nfs/dbraw/zinc/65/17/06/662651706.db2.gz CWUCHAILPMYMIV-UHFFFAOYSA-N 1 1 322.369 -1.142 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201957 662651743 /nfs/dbraw/zinc/65/17/43/662651743.db2.gz PRXXQZXKYULALR-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201957 662651744 /nfs/dbraw/zinc/65/17/44/662651744.db2.gz PRXXQZXKYULALR-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198086 662651753 /nfs/dbraw/zinc/65/17/53/662651753.db2.gz XKVXDGPUPIGVJX-WPRPVWTQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028198086 662651754 /nfs/dbraw/zinc/65/17/54/662651754.db2.gz XKVXDGPUPIGVJX-WPRPVWTQSA-N 1 1 310.354 -1.506 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028198599 662651867 /nfs/dbraw/zinc/65/18/67/662651867.db2.gz LNMGSKFYHSKAIU-MWLCHTKSSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)n1 ZINC001028198599 662651868 /nfs/dbraw/zinc/65/18/68/662651868.db2.gz LNMGSKFYHSKAIU-MWLCHTKSSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+](CCCO)CC2)c(=O)n(C)c1=O ZINC000982067149 662652290 /nfs/dbraw/zinc/65/22/90/662652290.db2.gz RSXDEBGVDVGLEH-UHFFFAOYSA-N 1 1 324.381 -1.386 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042845 662652305 /nfs/dbraw/zinc/65/23/05/662652305.db2.gz UIZDIPLWSABVEQ-QWRGUYRKSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982042384 662652376 /nfs/dbraw/zinc/65/23/76/662652376.db2.gz LVGXQNAPPNCHGX-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000982141508 662652656 /nfs/dbraw/zinc/65/26/56/662652656.db2.gz HBHPQRSBTMMEES-LLVKDONJSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982141442 662652735 /nfs/dbraw/zinc/65/27/35/662652735.db2.gz FUQWFDRIXJPZLV-LLVKDONJSA-N 1 1 324.381 -1.109 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000982176787 662652997 /nfs/dbraw/zinc/65/29/97/662652997.db2.gz QIBMMNLHOFPALO-JTQLQIEISA-N 1 1 322.365 -1.551 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000982176787 662652998 /nfs/dbraw/zinc/65/29/98/662652998.db2.gz QIBMMNLHOFPALO-JTQLQIEISA-N 1 1 322.365 -1.551 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)C1 ZINC000982245603 662653038 /nfs/dbraw/zinc/65/30/38/662653038.db2.gz LONOXVTYZHCSGP-VBNZEHGJSA-N 1 1 324.425 -1.027 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221021 662653325 /nfs/dbraw/zinc/65/33/25/662653325.db2.gz HMHLHPQIFFIJIK-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000982227654 662653336 /nfs/dbraw/zinc/65/33/36/662653336.db2.gz GYBFODLYJGNESL-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000982227654 662653337 /nfs/dbraw/zinc/65/33/37/662653337.db2.gz GYBFODLYJGNESL-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCNC1=O)CCO2 ZINC000949154165 662653754 /nfs/dbraw/zinc/65/37/54/662653754.db2.gz RLQMMAXLDSBSED-LLVKDONJSA-N 1 1 324.381 -1.699 20 0 DAADMO C[C@]12CN(C(=O)CN3CN=NC3=O)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982262436 662653800 /nfs/dbraw/zinc/65/38/00/662653800.db2.gz BXVDMVLRVQCHOR-OKILXGFUSA-N 1 1 322.369 -1.361 20 0 DAADMO C[C@]12CN(C(=O)CN3CN=NC3=O)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982262436 662653801 /nfs/dbraw/zinc/65/38/01/662653801.db2.gz BXVDMVLRVQCHOR-OKILXGFUSA-N 1 1 322.369 -1.361 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982272482 662654169 /nfs/dbraw/zinc/65/41/69/662654169.db2.gz NWDJXMIWLSJFPO-FZQKWOKYSA-N 1 1 310.354 -1.250 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982272482 662654173 /nfs/dbraw/zinc/65/41/73/662654173.db2.gz NWDJXMIWLSJFPO-FZQKWOKYSA-N 1 1 310.354 -1.250 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc(=O)n2[nH]cnc2n1 ZINC001028262431 662656373 /nfs/dbraw/zinc/65/63/73/662656373.db2.gz UPPLPPSONZABEM-JTQLQIEISA-N 1 1 320.353 -1.006 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001028272524 662656862 /nfs/dbraw/zinc/65/68/62/662656862.db2.gz DWNOXTRJPFCBNP-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1ncc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425130 662657688 /nfs/dbraw/zinc/65/76/88/662657688.db2.gz BGNAKFHIIVOJKK-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425130 662657689 /nfs/dbraw/zinc/65/76/89/662657689.db2.gz BGNAKFHIIVOJKK-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936907913 662660102 /nfs/dbraw/zinc/66/01/02/662660102.db2.gz ASYKGDPVNRFALV-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313111 662666869 /nfs/dbraw/zinc/66/68/69/662666869.db2.gz VEDVPHCHBHRSPT-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313111 662666872 /nfs/dbraw/zinc/66/68/72/662666872.db2.gz VEDVPHCHBHRSPT-IUCAKERBSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313052 662667076 /nfs/dbraw/zinc/66/70/76/662667076.db2.gz VEDVPHCHBHRSPT-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313052 662667078 /nfs/dbraw/zinc/66/70/78/662667078.db2.gz VEDVPHCHBHRSPT-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313114 662667110 /nfs/dbraw/zinc/66/71/10/662667110.db2.gz VEDVPHCHBHRSPT-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313114 662667113 /nfs/dbraw/zinc/66/71/13/662667113.db2.gz VEDVPHCHBHRSPT-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312148 662667117 /nfs/dbraw/zinc/66/71/17/662667117.db2.gz DVKACUOWDPLDFE-SECBINFHSA-N 1 1 323.353 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028312148 662667120 /nfs/dbraw/zinc/66/71/20/662667120.db2.gz DVKACUOWDPLDFE-SECBINFHSA-N 1 1 323.353 -1.574 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326096 662667341 /nfs/dbraw/zinc/66/73/41/662667341.db2.gz PPWZCOLHCPJLAT-DTWKUNHWSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001028326096 662667344 /nfs/dbraw/zinc/66/73/44/662667344.db2.gz PPWZCOLHCPJLAT-DTWKUNHWSA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334846 662668729 /nfs/dbraw/zinc/66/87/29/662668729.db2.gz JCGCSSSRYCXSCE-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334846 662668731 /nfs/dbraw/zinc/66/87/31/662668731.db2.gz JCGCSSSRYCXSCE-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334658 662668807 /nfs/dbraw/zinc/66/88/07/662668807.db2.gz FUEHNJOGVFJCLG-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCO)nn1 ZINC001028335906 662668883 /nfs/dbraw/zinc/66/88/83/662668883.db2.gz HLFMSDFZRSYVBD-LLVKDONJSA-N 1 1 324.385 -1.447 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)n(C)c1=O ZINC001028339148 662669100 /nfs/dbraw/zinc/66/91/00/662669100.db2.gz PFZQNRNLBRUYBH-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)n(C)c1=O ZINC001028339148 662669102 /nfs/dbraw/zinc/66/91/02/662669102.db2.gz PFZQNRNLBRUYBH-QWRGUYRKSA-N 1 1 321.381 -1.194 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336907 662669411 /nfs/dbraw/zinc/66/94/11/662669411.db2.gz FXEJVOPSSPANAM-SNVBAGLBSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336907 662669412 /nfs/dbraw/zinc/66/94/12/662669412.db2.gz FXEJVOPSSPANAM-SNVBAGLBSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@]2(C)C1 ZINC000982498340 662670791 /nfs/dbraw/zinc/67/07/91/662670791.db2.gz WZETYBKSHREEKG-NZVBXONLSA-N 1 1 323.397 -1.416 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420758 662671274 /nfs/dbraw/zinc/67/12/74/662671274.db2.gz OMLCNJIPPHCBFR-VXGBXAGGSA-N 1 1 320.411 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420758 662671280 /nfs/dbraw/zinc/67/12/80/662671280.db2.gz OMLCNJIPPHCBFR-VXGBXAGGSA-N 1 1 320.411 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420755 662671298 /nfs/dbraw/zinc/67/12/98/662671298.db2.gz OMLCNJIPPHCBFR-NEPJUHHUSA-N 1 1 320.411 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC001028420755 662671299 /nfs/dbraw/zinc/67/12/99/662671299.db2.gz OMLCNJIPPHCBFR-NEPJUHHUSA-N 1 1 320.411 -1.116 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@H+](CCS(C)(=O)=O)C2 ZINC000982503220 662671555 /nfs/dbraw/zinc/67/15/55/662671555.db2.gz LEYNOENHEAGBPV-BETUJISGSA-N 1 1 317.411 -1.313 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CCS(C)(=O)=O)C2 ZINC000982503220 662671556 /nfs/dbraw/zinc/67/15/56/662671556.db2.gz LEYNOENHEAGBPV-BETUJISGSA-N 1 1 317.411 -1.313 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982503483 662671574 /nfs/dbraw/zinc/67/15/74/662671574.db2.gz OGNLQAIIDLYLOZ-OKILXGFUSA-N 1 1 306.370 -1.066 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001028448921 662672126 /nfs/dbraw/zinc/67/21/26/662672126.db2.gz PFZBSNGZYUMWLZ-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1nnc(CN2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001028466243 662672360 /nfs/dbraw/zinc/67/23/60/662672360.db2.gz OVYDZKDFUOZHGR-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001028466243 662672361 /nfs/dbraw/zinc/67/23/61/662672361.db2.gz OVYDZKDFUOZHGR-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461263 662672654 /nfs/dbraw/zinc/67/26/54/662672654.db2.gz NEPCVUJUWYEQET-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000982555750 662673062 /nfs/dbraw/zinc/67/30/62/662673062.db2.gz XHXPELYWHLDRAN-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028490008 662673094 /nfs/dbraw/zinc/67/30/94/662673094.db2.gz HFEHGGSXHWQVTI-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558432 662673440 /nfs/dbraw/zinc/67/34/40/662673440.db2.gz GVNWXIZPUPHPNE-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558432 662673443 /nfs/dbraw/zinc/67/34/43/662673443.db2.gz GVNWXIZPUPHPNE-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001028508170 662674278 /nfs/dbraw/zinc/67/42/78/662674278.db2.gz MOUIUQUBPUEMSQ-UWVGGRQHSA-N 1 1 308.338 -1.082 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028514895 662674320 /nfs/dbraw/zinc/67/43/20/662674320.db2.gz SVIOEDZIJXFTOD-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028514895 662674323 /nfs/dbraw/zinc/67/43/23/662674323.db2.gz SVIOEDZIJXFTOD-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001028532922 662674993 /nfs/dbraw/zinc/67/49/93/662674993.db2.gz SNOBLUKVUQPUJC-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028567374 662675622 /nfs/dbraw/zinc/67/56/22/662675622.db2.gz VLHIQNOXAKBQKQ-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001028567374 662675624 /nfs/dbraw/zinc/67/56/24/662675624.db2.gz VLHIQNOXAKBQKQ-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000982659810 662676356 /nfs/dbraw/zinc/67/63/56/662676356.db2.gz OSGVIBZKOUCDMF-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000982659810 662676361 /nfs/dbraw/zinc/67/63/61/662676361.db2.gz OSGVIBZKOUCDMF-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000982660336 662676417 /nfs/dbraw/zinc/67/64/17/662676417.db2.gz SNYCXDCBWFWUGL-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(CCn1cnnn1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000982660336 662676421 /nfs/dbraw/zinc/67/64/21/662676421.db2.gz SNYCXDCBWFWUGL-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000982793135 662679994 /nfs/dbraw/zinc/67/99/94/662679994.db2.gz UJZOEURYIZPYCW-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602026 662681106 /nfs/dbraw/zinc/68/11/06/662681106.db2.gz BYDNWKZLSQZOKD-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001028630718 662681855 /nfs/dbraw/zinc/68/18/55/662681855.db2.gz QVZDXGPVTVKEPX-SNVBAGLBSA-N 1 1 307.354 -1.050 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC001028630718 662681862 /nfs/dbraw/zinc/68/18/62/662681862.db2.gz QVZDXGPVTVKEPX-SNVBAGLBSA-N 1 1 307.354 -1.050 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629847 662681929 /nfs/dbraw/zinc/68/19/29/662681929.db2.gz UOHRZLLAFMHPLD-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055694 662682115 /nfs/dbraw/zinc/68/21/15/662682115.db2.gz MIPMZTYZUQNTKE-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001028640986 662682553 /nfs/dbraw/zinc/68/25/53/662682553.db2.gz ZJMYZSCANRMWNS-UWVGGRQHSA-N 1 1 322.369 -1.531 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@H]3CC[N@@H+](CC(N)=O)C3)cnc21 ZINC001028694632 662685358 /nfs/dbraw/zinc/68/53/58/662685358.db2.gz DMRXPJFNIWFTDX-SECBINFHSA-N 1 1 317.353 -1.100 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)cc1=O ZINC001028690907 662685515 /nfs/dbraw/zinc/68/55/15/662685515.db2.gz JJSBTMMVSDBWRD-SECBINFHSA-N 1 1 308.338 -1.080 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001028690907 662685517 /nfs/dbraw/zinc/68/55/17/662685517.db2.gz JJSBTMMVSDBWRD-SECBINFHSA-N 1 1 308.338 -1.080 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000983136164 662685885 /nfs/dbraw/zinc/68/58/85/662685885.db2.gz VTFIBFGJVSSDJY-WDEREUQCSA-N 1 1 321.385 -1.260 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000983136161 662685970 /nfs/dbraw/zinc/68/59/70/662685970.db2.gz VTFIBFGJVSSDJY-MNOVXSKESA-N 1 1 321.385 -1.260 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001028707456 662686280 /nfs/dbraw/zinc/68/62/80/662686280.db2.gz QGOCFSNCUFTFJX-PWSUYJOCSA-N 1 1 307.354 -1.204 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001028703580 662686405 /nfs/dbraw/zinc/68/64/05/662686405.db2.gz WPBYIBLLPGKZQX-PWSUYJOCSA-N 1 1 319.365 -1.280 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001028703578 662686477 /nfs/dbraw/zinc/68/64/77/662686477.db2.gz WPBYIBLLPGKZQX-JQWIXIFHSA-N 1 1 319.365 -1.280 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC000983206116 662688285 /nfs/dbraw/zinc/68/82/85/662688285.db2.gz SGMRVRUVEHRHQF-SECBINFHSA-N 1 1 323.353 -1.200 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000983207474 662688844 /nfs/dbraw/zinc/68/88/44/662688844.db2.gz NLYULVVMVIHDMJ-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)O1 ZINC000983207474 662688845 /nfs/dbraw/zinc/68/88/45/662688845.db2.gz NLYULVVMVIHDMJ-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001028744015 662689069 /nfs/dbraw/zinc/68/90/69/662689069.db2.gz GTMQEJWQIICOKI-VHSXEESVSA-N 1 1 307.358 -1.460 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001028739269 662689266 /nfs/dbraw/zinc/68/92/66/662689266.db2.gz DVYSULXKUVTJCX-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001028744318 662689288 /nfs/dbraw/zinc/68/92/88/662689288.db2.gz KTFVGAJEOFEAGS-SECBINFHSA-N 1 1 307.358 -1.460 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001028740707 662689314 /nfs/dbraw/zinc/68/93/14/662689314.db2.gz RXIJKQNOPIWUES-RYUDHWBXSA-N 1 1 321.385 -1.260 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)n1 ZINC001028748136 662689909 /nfs/dbraw/zinc/68/99/09/662689909.db2.gz JCHUFGVJQWWUBE-SNVBAGLBSA-N 1 1 305.346 -1.447 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3C)C2)n1 ZINC001028744892 662689927 /nfs/dbraw/zinc/68/99/27/662689927.db2.gz UAGDIHMAJKSJRS-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001028744892 662689931 /nfs/dbraw/zinc/68/99/31/662689931.db2.gz UAGDIHMAJKSJRS-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001028748393 662689936 /nfs/dbraw/zinc/68/99/36/662689936.db2.gz LFXRNWOMDKLGDK-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001028748936 662690006 /nfs/dbraw/zinc/69/00/06/662690006.db2.gz PLALNRDIQRPNBM-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3C)C2)n1 ZINC001028744891 662690040 /nfs/dbraw/zinc/69/00/40/662690040.db2.gz UAGDIHMAJKSJRS-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001028744891 662690043 /nfs/dbraw/zinc/69/00/43/662690043.db2.gz UAGDIHMAJKSJRS-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)n1 ZINC001028746022 662690119 /nfs/dbraw/zinc/69/01/19/662690119.db2.gz LPFIGFMKMSACKU-NSHDSACASA-N 1 1 321.385 -1.116 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028749934 662690182 /nfs/dbraw/zinc/69/01/82/662690182.db2.gz RNTDUMYZQYZBFE-NEPJUHHUSA-N 1 1 310.398 -1.009 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772377 662690537 /nfs/dbraw/zinc/69/05/37/662690537.db2.gz CRPDVHVFSYDVAA-ONGXEEELSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772377 662690542 /nfs/dbraw/zinc/69/05/42/662690542.db2.gz CRPDVHVFSYDVAA-ONGXEEELSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)CC2 ZINC001028764508 662690599 /nfs/dbraw/zinc/69/05/99/662690599.db2.gz HYYPQMKCSWMRFI-MNOVXSKESA-N 1 1 320.397 -1.157 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028764116 662690763 /nfs/dbraw/zinc/69/07/63/662690763.db2.gz ZJLZEWQHUDEXMX-SECBINFHSA-N 1 1 317.353 -1.100 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028764116 662690766 /nfs/dbraw/zinc/69/07/66/662690766.db2.gz ZJLZEWQHUDEXMX-SECBINFHSA-N 1 1 317.353 -1.100 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773239 662690874 /nfs/dbraw/zinc/69/08/74/662690874.db2.gz KEUDAHICSXBGEN-CMPLNLGQSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028773239 662690877 /nfs/dbraw/zinc/69/08/77/662690877.db2.gz KEUDAHICSXBGEN-CMPLNLGQSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773240 662690982 /nfs/dbraw/zinc/69/09/82/662690982.db2.gz KEUDAHICSXBGEN-JQWIXIFHSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773240 662690986 /nfs/dbraw/zinc/69/09/86/662690986.db2.gz KEUDAHICSXBGEN-JQWIXIFHSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028774505 662691287 /nfs/dbraw/zinc/69/12/87/662691287.db2.gz XPMOMIJEZJQYRJ-CMPLNLGQSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028774505 662691291 /nfs/dbraw/zinc/69/12/91/662691291.db2.gz XPMOMIJEZJQYRJ-CMPLNLGQSA-N 1 1 321.385 -1.083 20 0 DAADMO Cc1nonc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774055 662691432 /nfs/dbraw/zinc/69/14/32/662691432.db2.gz RQZNHCAGJQQTFJ-UWVGGRQHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nonc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028774055 662691435 /nfs/dbraw/zinc/69/14/35/662691435.db2.gz RQZNHCAGJQQTFJ-UWVGGRQHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001028773997 662691550 /nfs/dbraw/zinc/69/15/50/662691550.db2.gz QQHAHSIGDDLYQN-UWVGGRQHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)o1 ZINC001028773997 662691553 /nfs/dbraw/zinc/69/15/53/662691553.db2.gz QQHAHSIGDDLYQN-UWVGGRQHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001028773998 662691662 /nfs/dbraw/zinc/69/16/62/662691662.db2.gz QQHAHSIGDDLYQN-VHSXEESVSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)o1 ZINC001028773998 662691663 /nfs/dbraw/zinc/69/16/63/662691663.db2.gz QQHAHSIGDDLYQN-VHSXEESVSA-N 1 1 308.342 -1.002 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001028774102 662691768 /nfs/dbraw/zinc/69/17/68/662691768.db2.gz SIPAVYSYNHUMBP-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1nonc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774054 662691876 /nfs/dbraw/zinc/69/18/76/662691876.db2.gz RQZNHCAGJQQTFJ-NXEZZACHSA-N 1 1 308.342 -1.002 20 0 DAADMO Cc1nonc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774054 662691879 /nfs/dbraw/zinc/69/18/79/662691879.db2.gz RQZNHCAGJQQTFJ-NXEZZACHSA-N 1 1 308.342 -1.002 20 0 DAADMO CN1C[C@H](O)C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000924984636 662692017 /nfs/dbraw/zinc/69/20/17/662692017.db2.gz WTXYLFMMGHGWGR-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO CN1C[C@H](O)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000924984635 662692154 /nfs/dbraw/zinc/69/21/54/662692154.db2.gz WTXYLFMMGHGWGR-FRRDWIJNSA-N 1 1 312.414 -1.422 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028816681 662692265 /nfs/dbraw/zinc/69/22/65/662692265.db2.gz IQFXVFIICZPWCH-SNVBAGLBSA-N 1 1 321.381 -1.112 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001028804695 662692350 /nfs/dbraw/zinc/69/23/50/662692350.db2.gz DIIAKWGPAMBMOW-UTUOFQBUSA-N 1 1 323.397 -1.429 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001028840799 662692698 /nfs/dbraw/zinc/69/26/98/662692698.db2.gz MEJUROGSQGNFPP-WDEREUQCSA-N 1 1 324.381 -1.484 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1nnc[nH]1 ZINC001028876793 662692954 /nfs/dbraw/zinc/69/29/54/662692954.db2.gz ISLVHQBEBDPAHO-IUCAKERBSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876793 662692956 /nfs/dbraw/zinc/69/29/56/662692956.db2.gz ISLVHQBEBDPAHO-IUCAKERBSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876793 662692958 /nfs/dbraw/zinc/69/29/58/662692958.db2.gz ISLVHQBEBDPAHO-IUCAKERBSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001028882254 662692967 /nfs/dbraw/zinc/69/29/67/662692967.db2.gz GBZABVLJBFVZAD-VIFPVBQESA-N 1 1 322.325 -1.327 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028865257 662692987 /nfs/dbraw/zinc/69/29/87/662692987.db2.gz OLDXNOINDBPPPR-GXSJLCMTSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001028882250 662693066 /nfs/dbraw/zinc/69/30/66/662693066.db2.gz GBZABVLJBFVZAD-SECBINFHSA-N 1 1 322.325 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865959 662693169 /nfs/dbraw/zinc/69/31/69/662693169.db2.gz CQRGBTIZZNWUFB-DTWKUNHWSA-N 1 1 310.354 -1.649 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001028864307 662693232 /nfs/dbraw/zinc/69/32/32/662693232.db2.gz LYENHVICMDLIIZ-NQTXRORDSA-N 1 1 323.353 -2.102 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001028864759 662693243 /nfs/dbraw/zinc/69/32/43/662693243.db2.gz RFQZMOJNDZKZTA-RWWNRMGGSA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1nnc[nH]1 ZINC001028876792 662693248 /nfs/dbraw/zinc/69/32/48/662693248.db2.gz ISLVHQBEBDPAHO-DTWKUNHWSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876792 662693250 /nfs/dbraw/zinc/69/32/50/662693250.db2.gz ISLVHQBEBDPAHO-DTWKUNHWSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876792 662693253 /nfs/dbraw/zinc/69/32/53/662693253.db2.gz ISLVHQBEBDPAHO-DTWKUNHWSA-N 1 1 306.326 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866983 662693423 /nfs/dbraw/zinc/69/34/23/662693423.db2.gz WDAGRSMBMSTXSW-NXEZZACHSA-N 1 1 324.381 -1.388 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866383 662693453 /nfs/dbraw/zinc/69/34/53/662693453.db2.gz LXBVJQOPNHQVAF-KOLCDFICSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001028864757 662693485 /nfs/dbraw/zinc/69/34/85/662693485.db2.gz RFQZMOJNDZKZTA-NLTNOIMHSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028865879 662693499 /nfs/dbraw/zinc/69/34/99/662693499.db2.gz CKAFETDCVGRFER-LLVKDONJSA-N 1 1 321.385 -1.108 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028876052 662693504 /nfs/dbraw/zinc/69/35/04/662693504.db2.gz PHMKNRCUESOUIP-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC001028876052 662693505 /nfs/dbraw/zinc/69/35/05/662693505.db2.gz PHMKNRCUESOUIP-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028958554 662693772 /nfs/dbraw/zinc/69/37/72/662693772.db2.gz JCCWYWUVTMFRBY-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028958554 662693773 /nfs/dbraw/zinc/69/37/73/662693773.db2.gz JCCWYWUVTMFRBY-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001028936560 662693891 /nfs/dbraw/zinc/69/38/91/662693891.db2.gz DGYQEQREOWWMJO-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@H]3CC[N@@H+](CC(N)=O)C3)n2n1 ZINC001028926795 662694032 /nfs/dbraw/zinc/69/40/32/662694032.db2.gz KIJCUEMIYRQQQD-SNVBAGLBSA-N 1 1 317.353 -1.030 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928641 662694234 /nfs/dbraw/zinc/69/42/34/662694234.db2.gz NGDQISQCWUETQJ-VHSXEESVSA-N 1 1 320.353 -1.150 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990747 662694429 /nfs/dbraw/zinc/69/44/29/662694429.db2.gz PWYYIAFVNIZNID-MNOVXSKESA-N 1 1 305.400 -1.237 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979590 662694458 /nfs/dbraw/zinc/69/44/58/662694458.db2.gz ANELZKGYNXHCPS-IUCAKERBSA-N 1 1 323.353 -1.589 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028994383 662694477 /nfs/dbraw/zinc/69/44/77/662694477.db2.gz RJKSZKPNMCGKJM-NEPJUHHUSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028971222 662694650 /nfs/dbraw/zinc/69/46/50/662694650.db2.gz HSNRUBUXLVNXHD-RKDXNWHRSA-N 1 1 320.353 -1.499 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)c(=O)[nH]c1=O ZINC001028980654 662694656 /nfs/dbraw/zinc/69/46/56/662694656.db2.gz UWXVXNXHVADOMB-SNVBAGLBSA-N 1 1 310.354 -1.080 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001028976518 662694689 /nfs/dbraw/zinc/69/46/89/662694689.db2.gz KJNTUSXDTFOTAL-JTQLQIEISA-N 1 1 311.386 -1.300 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001028993398 662694708 /nfs/dbraw/zinc/69/47/08/662694708.db2.gz YHQJWWSXUWITMW-QWRGUYRKSA-N 1 1 305.400 -1.501 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971281 662694727 /nfs/dbraw/zinc/69/47/27/662694727.db2.gz JKHJQGONZKVQPU-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001028979640 662694825 /nfs/dbraw/zinc/69/48/25/662694825.db2.gz BSXVOPLWAILAJK-MRVPVSSYSA-N 1 1 309.326 -1.977 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028994386 662694856 /nfs/dbraw/zinc/69/48/56/662694856.db2.gz RJKSZKPNMCGKJM-VXGBXAGGSA-N 1 1 312.370 -1.843 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028999616 662695034 /nfs/dbraw/zinc/69/50/34/662695034.db2.gz PCPNILIFNSQKJP-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028999616 662695036 /nfs/dbraw/zinc/69/50/36/662695036.db2.gz PCPNILIFNSQKJP-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000621 662695083 /nfs/dbraw/zinc/69/50/83/662695083.db2.gz GLJRUNOFQDCEOI-IUCAKERBSA-N 1 1 323.357 -2.311 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029014558 662695127 /nfs/dbraw/zinc/69/51/27/662695127.db2.gz CXLHQXDXZXONRE-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029004257 662695226 /nfs/dbraw/zinc/69/52/26/662695226.db2.gz YAQDZCYAXYTRPF-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029006547 662695304 /nfs/dbraw/zinc/69/53/04/662695304.db2.gz KHTZUXFBZPOZCG-NSHDSACASA-N 1 1 323.397 -1.136 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029001069 662695402 /nfs/dbraw/zinc/69/54/02/662695402.db2.gz PCZBNXRFCLBLBX-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001029019548 662695593 /nfs/dbraw/zinc/69/55/93/662695593.db2.gz YPDZOIGLKGEHGQ-VIFPVBQESA-N 1 1 305.338 -1.283 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3COCCN3C)C2)n1 ZINC000983510891 662695763 /nfs/dbraw/zinc/69/57/63/662695763.db2.gz LPPNRIAMPJDLDL-SRVKXCTJSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cc(=O)n(C)o3)C2)n1 ZINC000983561050 662696122 /nfs/dbraw/zinc/69/61/22/662696122.db2.gz YIAWJHHEWXNOIG-KYZUINATSA-N 1 1 321.341 -1.200 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)CC(N)=O)CC1 ZINC001029072387 662696502 /nfs/dbraw/zinc/69/65/02/662696502.db2.gz UWQRDOSZOHBQPW-VIFPVBQESA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000983689898 662697250 /nfs/dbraw/zinc/69/72/50/662697250.db2.gz VYYQUGBCETUFCN-KYZUINATSA-N 1 1 306.334 -2.119 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC000983854884 662698047 /nfs/dbraw/zinc/69/80/47/662698047.db2.gz WDTJQSWJJCROKS-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001029246098 662698115 /nfs/dbraw/zinc/69/81/15/662698115.db2.gz SDTBXBIXMOPDPW-AEJSXWLSSA-N 1 1 308.338 -1.658 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC001029246157 662698133 /nfs/dbraw/zinc/69/81/33/662698133.db2.gz VCIDMWGKUOGCMP-PHIMTYICSA-N 1 1 309.370 -1.438 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001029246157 662698135 /nfs/dbraw/zinc/69/81/35/662698135.db2.gz VCIDMWGKUOGCMP-PHIMTYICSA-N 1 1 309.370 -1.438 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764774 662698808 /nfs/dbraw/zinc/69/88/08/662698808.db2.gz YEIFBBWGKWAXKM-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)n1 ZINC000983931175 662698867 /nfs/dbraw/zinc/69/88/67/662698867.db2.gz DPVUQYFJDCSSPY-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029293287 662699286 /nfs/dbraw/zinc/69/92/86/662699286.db2.gz LGZQRCSRTIFYGP-YTWAJWBKSA-N 1 1 308.338 -1.342 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001029292087 662699301 /nfs/dbraw/zinc/69/93/01/662699301.db2.gz ZAQGTPIHBBBIPC-AXFHLTTASA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029292087 662699302 /nfs/dbraw/zinc/69/93/02/662699302.db2.gz ZAQGTPIHBBBIPC-AXFHLTTASA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001029298123 662699572 /nfs/dbraw/zinc/69/95/72/662699572.db2.gz YUCCJMGKGILPPG-OUAUKWLOSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001029298123 662699573 /nfs/dbraw/zinc/69/95/73/662699573.db2.gz YUCCJMGKGILPPG-OUAUKWLOSA-N 1 1 304.354 -1.008 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C2 ZINC001012314773 662701194 /nfs/dbraw/zinc/70/11/94/662701194.db2.gz WHLUOVOXLQEPAB-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000984123595 662701275 /nfs/dbraw/zinc/70/12/75/662701275.db2.gz BGOHZNKHVWUOSH-LLVKDONJSA-N 1 1 323.353 -1.235 20 0 DAADMO CC(=O)NCc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000984123595 662701276 /nfs/dbraw/zinc/70/12/76/662701276.db2.gz BGOHZNKHVWUOSH-LLVKDONJSA-N 1 1 323.353 -1.235 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928564151 662702104 /nfs/dbraw/zinc/70/21/04/662702104.db2.gz RUWOORYSHJNOEP-SECBINFHSA-N 1 1 301.372 -1.481 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC000928570356 662702269 /nfs/dbraw/zinc/70/22/69/662702269.db2.gz SWGWSNBVHIQZNK-VIFPVBQESA-N 1 1 301.372 -1.481 20 0 DAADMO CN(CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)S(C)(=O)=O ZINC000889776585 662703167 /nfs/dbraw/zinc/70/31/67/662703167.db2.gz SYRWMXKJIZVTNR-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029420831 662703311 /nfs/dbraw/zinc/70/33/11/662703311.db2.gz MBDGTYKKINLICD-WRWGMCAJSA-N 1 1 306.366 -1.314 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001029428490 662703663 /nfs/dbraw/zinc/70/36/63/662703663.db2.gz WFMVUZIIZJHRJR-OUAUKWLOSA-N 1 1 319.369 -1.223 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001029428490 662703664 /nfs/dbraw/zinc/70/36/64/662703664.db2.gz WFMVUZIIZJHRJR-OUAUKWLOSA-N 1 1 319.369 -1.223 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029444910 662703971 /nfs/dbraw/zinc/70/39/71/662703971.db2.gz GTIUHIMSKKDQSC-LMLFDSFASA-N 1 1 307.354 -1.769 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001029450746 662704553 /nfs/dbraw/zinc/70/45/53/662704553.db2.gz XEXHQWOXNVMFTB-TUAOUCFPSA-N 1 1 307.354 -1.596 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001029450746 662704557 /nfs/dbraw/zinc/70/45/57/662704557.db2.gz XEXHQWOXNVMFTB-TUAOUCFPSA-N 1 1 307.354 -1.596 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC000984544351 662704743 /nfs/dbraw/zinc/70/47/43/662704743.db2.gz JCSFVPMSWYSHHG-XWLWVQCSSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC000984544349 662704928 /nfs/dbraw/zinc/70/49/28/662704928.db2.gz JCSFVPMSWYSHHG-NAKRPEOUSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC000984557400 662705349 /nfs/dbraw/zinc/70/53/49/662705349.db2.gz BBRRPSURZWQQTM-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC000984557546 662705477 /nfs/dbraw/zinc/70/54/77/662705477.db2.gz CVHYGFZCNSXNLI-OPRDCNLKSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000896227141 662706548 /nfs/dbraw/zinc/70/65/48/662706548.db2.gz NFHAGMGTHVELRK-UHFFFAOYSA-N 1 1 322.373 -1.665 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000727852946 662706621 /nfs/dbraw/zinc/70/66/21/662706621.db2.gz ANEPEPPNRXRZBR-RYUDHWBXSA-N 1 1 322.365 -1.094 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)CC1 ZINC000896234963 662706643 /nfs/dbraw/zinc/70/66/43/662706643.db2.gz ALCLDWDWSGEAPF-UHFFFAOYSA-N 1 1 307.358 -1.070 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029476144 662706893 /nfs/dbraw/zinc/70/68/93/662706893.db2.gz GESQOBBABOWVOR-CSYMLDBXSA-N 1 1 306.366 -1.329 20 0 DAADMO CC(C)(C)n1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984728881 662707564 /nfs/dbraw/zinc/70/75/64/662707564.db2.gz RUYPJLUJAJWAHZ-KYZUINATSA-N 1 1 309.374 -1.102 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984728951 662707724 /nfs/dbraw/zinc/70/77/24/662707724.db2.gz UXNNKGDKXKWEPC-ZKCHVHJHSA-N 1 1 324.341 -2.172 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)C1 ZINC000909548382 662708362 /nfs/dbraw/zinc/70/83/62/662708362.db2.gz FTFMRUYKQBFNSO-HUBLWGQQSA-N 1 1 311.382 -1.051 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001029498540 662708392 /nfs/dbraw/zinc/70/83/92/662708392.db2.gz LBARETYNTLRQJW-AOOOYVTPSA-N 1 1 324.337 -1.926 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029517348 662708656 /nfs/dbraw/zinc/70/86/56/662708656.db2.gz WEBOJJPTZCRJGX-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029541131 662709181 /nfs/dbraw/zinc/70/91/81/662709181.db2.gz JUPIIBHHQITFKL-PHIMTYICSA-N 1 1 324.381 -1.016 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029570333 662709873 /nfs/dbraw/zinc/70/98/73/662709873.db2.gz STVASEPITQWDCB-HZSPNIEDSA-N 1 1 311.382 -1.099 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029577858 662710253 /nfs/dbraw/zinc/71/02/53/662710253.db2.gz HQMVUSFFHBLPOZ-AOOOYVTPSA-N 1 1 305.338 -1.143 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029577858 662710254 /nfs/dbraw/zinc/71/02/54/662710254.db2.gz HQMVUSFFHBLPOZ-AOOOYVTPSA-N 1 1 305.338 -1.143 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029576692 662710281 /nfs/dbraw/zinc/71/02/81/662710281.db2.gz PUPUZVIGQVOUSO-OUAUKWLOSA-N 1 1 310.354 -1.358 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001029577002 662710451 /nfs/dbraw/zinc/71/04/51/662710451.db2.gz AYOWFOJNBPYWCJ-PHIMTYICSA-N 1 1 310.354 -1.452 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001029643284 662710957 /nfs/dbraw/zinc/71/09/57/662710957.db2.gz PVSCMXOUKJBDAP-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)CCO1 ZINC000751479518 662711029 /nfs/dbraw/zinc/71/10/29/662711029.db2.gz GFXRFIFSIXGCQI-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)CCO1 ZINC000751479518 662711032 /nfs/dbraw/zinc/71/10/32/662711032.db2.gz GFXRFIFSIXGCQI-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2nccn2)C1)[C@H]1CCNC1=O ZINC001029747953 662711505 /nfs/dbraw/zinc/71/15/05/662711505.db2.gz OTGPLOBABJQNKJ-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000985474709 662711566 /nfs/dbraw/zinc/71/15/66/662711566.db2.gz VWNLBYZDTJIMAW-KOLCDFICSA-N 1 1 312.370 -1.112 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC001029737960 662711623 /nfs/dbraw/zinc/71/16/23/662711623.db2.gz QIKGCRRJSPDPQV-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001029737809 662711646 /nfs/dbraw/zinc/71/16/46/662711646.db2.gz PPCHSCWMGFYDAJ-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001029737618 662711684 /nfs/dbraw/zinc/71/16/84/662711684.db2.gz MSDMLSOFYMNZDV-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001029737618 662711686 /nfs/dbraw/zinc/71/16/86/662711686.db2.gz MSDMLSOFYMNZDV-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2nccn2)C1)[C@@H]1CCNC1=O ZINC001029747956 662711731 /nfs/dbraw/zinc/71/17/31/662711731.db2.gz OTGPLOBABJQNKJ-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000985505265 662711837 /nfs/dbraw/zinc/71/18/37/662711837.db2.gz KGOHJCRLDJHCKE-SNVBAGLBSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000985522897 662711958 /nfs/dbraw/zinc/71/19/58/662711958.db2.gz IOSDVFPVYFXFLB-UHFFFAOYSA-N 1 1 310.354 -1.136 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000985506941 662712288 /nfs/dbraw/zinc/71/22/88/662712288.db2.gz VAARCXWHHUCVJX-NSHDSACASA-N 1 1 311.386 -1.115 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001029822051 662712402 /nfs/dbraw/zinc/71/24/02/662712402.db2.gz XVSUQAUTQFFTPF-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001029822051 662712406 /nfs/dbraw/zinc/71/24/06/662712406.db2.gz XVSUQAUTQFFTPF-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCCNC3=O)C2)n1 ZINC001029806992 662712428 /nfs/dbraw/zinc/71/24/28/662712428.db2.gz VVKQHMAJULTEBJ-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnnn3C)C2)n1 ZINC001029807024 662712521 /nfs/dbraw/zinc/71/25/21/662712521.db2.gz WSAPPROFTCOZOY-JTQLQIEISA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001029820228 662712585 /nfs/dbraw/zinc/71/25/85/662712585.db2.gz BJMYYEYJKZMKDW-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001029820228 662712587 /nfs/dbraw/zinc/71/25/87/662712587.db2.gz BJMYYEYJKZMKDW-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001029822125 662712730 /nfs/dbraw/zinc/71/27/30/662712730.db2.gz YFISOEWVUYXWGA-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)NC1=O ZINC000985572734 662712739 /nfs/dbraw/zinc/71/27/39/662712739.db2.gz AQLWMSRUONNODM-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001029805838 662712865 /nfs/dbraw/zinc/71/28/65/662712865.db2.gz DIRGKBHAHKSTRD-JTQLQIEISA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001029805838 662712866 /nfs/dbraw/zinc/71/28/66/662712866.db2.gz DIRGKBHAHKSTRD-JTQLQIEISA-N 1 1 319.373 -1.067 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985579749 662712875 /nfs/dbraw/zinc/71/28/75/662712875.db2.gz WLCGDXGWSYJWCE-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001029806884 662712972 /nfs/dbraw/zinc/71/29/72/662712972.db2.gz TULBMRIMEORUMB-JTQLQIEISA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001029806884 662712973 /nfs/dbraw/zinc/71/29/73/662712973.db2.gz TULBMRIMEORUMB-JTQLQIEISA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001029805771 662712988 /nfs/dbraw/zinc/71/29/88/662712988.db2.gz CLTXJSYRCRCWGS-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nncc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607639 662713089 /nfs/dbraw/zinc/71/30/89/662713089.db2.gz HLXYUKFFURUGNN-GFCCVEGCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985614055 662713161 /nfs/dbraw/zinc/71/31/61/662713161.db2.gz SBLQALXKKMGBKF-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607934 662713468 /nfs/dbraw/zinc/71/34/68/662713468.db2.gz LNXHEDVBWMLHMA-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607130 662713485 /nfs/dbraw/zinc/71/34/85/662713485.db2.gz FKGMCFAUDZMFMJ-LLVKDONJSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607130 662713488 /nfs/dbraw/zinc/71/34/88/662713488.db2.gz FKGMCFAUDZMFMJ-LLVKDONJSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000985743909 662713671 /nfs/dbraw/zinc/71/36/71/662713671.db2.gz YWLWDAJBRNNCLI-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000985645164 662713691 /nfs/dbraw/zinc/71/36/91/662713691.db2.gz JZMCPIAFJNPQFV-WDEREUQCSA-N 1 1 312.370 -1.573 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC([N@@H+](C)CCO)CC2)S1(=O)=O ZINC000985696033 662713737 /nfs/dbraw/zinc/71/37/37/662713737.db2.gz FXELKYFKDWSYQW-LBPRGKRZSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000985793790 662714071 /nfs/dbraw/zinc/71/40/71/662714071.db2.gz VWJNHKVDWGRYSD-CMPLNLGQSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000985783616 662714304 /nfs/dbraw/zinc/71/43/04/662714304.db2.gz DUUWKCWBOJQBKK-UHFFFAOYSA-N 1 1 310.354 -1.457 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985939488 662714667 /nfs/dbraw/zinc/71/46/67/662714667.db2.gz CJNMDZRRYOHYKI-IUCAKERBSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)Cn1cnnn1 ZINC000985945319 662714988 /nfs/dbraw/zinc/71/49/88/662714988.db2.gz PKCUPDHVQMGOMW-KOLCDFICSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986039937 662715389 /nfs/dbraw/zinc/71/53/89/662715389.db2.gz IZXYOQUWUAYVPH-RKDXNWHRSA-N 1 1 316.387 -1.666 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986037511 662715409 /nfs/dbraw/zinc/71/54/09/662715409.db2.gz CIBCPYYYWRIMJO-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986039933 662715471 /nfs/dbraw/zinc/71/54/71/662715471.db2.gz IZXYOQUWUAYVPH-DTWKUNHWSA-N 1 1 316.387 -1.666 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986043379 662715487 /nfs/dbraw/zinc/71/54/87/662715487.db2.gz QRSLTTAXCQCROD-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CS(C)(=O)=O ZINC000986043862 662715552 /nfs/dbraw/zinc/71/55/52/662715552.db2.gz SGTSDBFKYJXEHI-GXSJLCMTSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CS(C)(=O)=O ZINC000986037054 662715619 /nfs/dbraw/zinc/71/56/19/662715619.db2.gz AQCYMJRILKRISB-KOLCDFICSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CN=NC1=O ZINC000986182010 662715864 /nfs/dbraw/zinc/71/58/64/662715864.db2.gz HPCFTLPOUZABNW-KOLCDFICSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)c1N ZINC000986180805 662715955 /nfs/dbraw/zinc/71/59/55/662715955.db2.gz QSOINVAUUWCKAN-WPRPVWTQSA-N 1 1 319.373 -1.081 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cn(C)nn1 ZINC000986229825 662716194 /nfs/dbraw/zinc/71/61/94/662716194.db2.gz GPRHZUSGGZWLGI-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CN=NC1=O ZINC000986185266 662716320 /nfs/dbraw/zinc/71/63/20/662716320.db2.gz NYGYKFQPKWGDFG-KOLCDFICSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCn1ccnn1 ZINC000986217279 662716338 /nfs/dbraw/zinc/71/63/38/662716338.db2.gz LQMFJTUUORYCNE-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986219799 662716341 /nfs/dbraw/zinc/71/63/41/662716341.db2.gz RKKHZQIVTKUZFJ-BDAKNGLRSA-N 1 1 321.341 -1.105 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CN=NC1=O ZINC000986185277 662716350 /nfs/dbraw/zinc/71/63/50/662716350.db2.gz NYGYKFQPKWGDFG-ONGXEEELSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986219813 662716428 /nfs/dbraw/zinc/71/64/28/662716428.db2.gz RKKHZQIVTKUZFJ-IUCAKERBSA-N 1 1 321.341 -1.105 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)[C@H]2C)[nH]1 ZINC000986275284 662716795 /nfs/dbraw/zinc/71/67/95/662716795.db2.gz CYPWYGZOVDTCPK-WCBMZHEXSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986290064 662716832 /nfs/dbraw/zinc/71/68/32/662716832.db2.gz QWFHUGCJYBZROY-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@H]2C)[nH]1 ZINC000986254114 662716871 /nfs/dbraw/zinc/71/68/71/662716871.db2.gz VYZZLTONIPZGPP-PSASIEDQSA-N 1 1 319.373 -1.042 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3ncnn3)[C@H]2C)[nH]1 ZINC000986275291 662716908 /nfs/dbraw/zinc/71/69/08/662716908.db2.gz CYPWYGZOVDTCPK-WPRPVWTQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC000986275206 662716978 /nfs/dbraw/zinc/71/69/78/662716978.db2.gz CSNBFZOXWXJRCA-GXSJLCMTSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000986403318 662717390 /nfs/dbraw/zinc/71/73/90/662717390.db2.gz MYSZGHGKAVXCIR-NEPJUHHUSA-N 1 1 319.365 -1.016 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1nccn1 ZINC000986331044 662717410 /nfs/dbraw/zinc/71/74/10/662717410.db2.gz CVWORTVABDRDEM-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)CC(N)=O)CC1)[C@H]1CCC(=O)NC1=O ZINC001029948773 662717588 /nfs/dbraw/zinc/71/75/88/662717588.db2.gz UCTICKKEULDTPH-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986583789 662717901 /nfs/dbraw/zinc/71/79/01/662717901.db2.gz OANRPHGAPFMWOK-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986583789 662717902 /nfs/dbraw/zinc/71/79/02/662717902.db2.gz OANRPHGAPFMWOK-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC000986657228 662718484 /nfs/dbraw/zinc/71/84/84/662718484.db2.gz PXLTULTXEMFISV-WCBMZHEXSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)CCN1C(=O)C(N)=O ZINC000986784216 662719038 /nfs/dbraw/zinc/71/90/38/662719038.db2.gz YAIZVRJUGSADPA-BDAKNGLRSA-N 1 1 309.374 -1.008 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1)[C@@H]1CCNC1=O ZINC001029990532 662719681 /nfs/dbraw/zinc/71/96/81/662719681.db2.gz RORQPCQAFQLAEM-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCn1cnnn1 ZINC000987249491 662721753 /nfs/dbraw/zinc/72/17/53/662721753.db2.gz PLMDYRIQDZASOE-PWSUYJOCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCn1cnnn1 ZINC000987247817 662721917 /nfs/dbraw/zinc/72/19/17/662721917.db2.gz IBEUXUGMHVSYGS-JQWIXIFHSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)Cn1ncnn1 ZINC000987465545 662722874 /nfs/dbraw/zinc/72/28/74/662722874.db2.gz UKMADKZDKVGGNU-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC000987509496 662722908 /nfs/dbraw/zinc/72/29/08/662722908.db2.gz FESBLKUEYVRGAU-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1cn[nH]n1 ZINC000987509496 662722909 /nfs/dbraw/zinc/72/29/09/662722909.db2.gz FESBLKUEYVRGAU-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1cnnn1 ZINC000988012983 662723878 /nfs/dbraw/zinc/72/38/78/662723878.db2.gz YQKAJQFBQXQULZ-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000988011933 662723988 /nfs/dbraw/zinc/72/39/88/662723988.db2.gz XNFBCPPMFUOFCD-WPRPVWTQSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cnnn1 ZINC000987990224 662724050 /nfs/dbraw/zinc/72/40/50/662724050.db2.gz DPXLGBFILDVAQX-RKDXNWHRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C(N)=O ZINC001013974671 662724569 /nfs/dbraw/zinc/72/45/69/662724569.db2.gz IOAGNHLCSIRPSM-IUCAKERBSA-N 1 1 323.353 -1.059 20 0 DAADMO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000988285434 662725688 /nfs/dbraw/zinc/72/56/88/662725688.db2.gz KVLIVIWLZNSHOA-WDEREUQCSA-N 1 1 312.370 -1.891 20 0 DAADMO CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000988285434 662725690 /nfs/dbraw/zinc/72/56/90/662725690.db2.gz KVLIVIWLZNSHOA-WDEREUQCSA-N 1 1 312.370 -1.891 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)N[C@]3(CCOC3)C2=O)CC1 ZINC000925276237 662725925 /nfs/dbraw/zinc/72/59/25/662725925.db2.gz MLIAQZRNATVZAA-AWEZNQCLSA-N 1 1 310.354 -1.139 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000937660785 662727271 /nfs/dbraw/zinc/72/72/71/662727271.db2.gz MWVFMWNCXVNGNC-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000897496824 662727928 /nfs/dbraw/zinc/72/79/28/662727928.db2.gz RYFBFSHCTLUIEP-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000897496822 662728160 /nfs/dbraw/zinc/72/81/60/662728160.db2.gz RYFBFSHCTLUIEP-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCOCC1 ZINC000988655273 662729422 /nfs/dbraw/zinc/72/94/22/662729422.db2.gz NXDAVVSRWFPEEJ-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937748087 662729823 /nfs/dbraw/zinc/72/98/23/662729823.db2.gz RYAPJEDVAYLLAC-QJPTWQEYSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937748087 662729826 /nfs/dbraw/zinc/72/98/26/662729826.db2.gz RYAPJEDVAYLLAC-QJPTWQEYSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CN1CN=NC1=O ZINC000988666125 662730069 /nfs/dbraw/zinc/73/00/69/662730069.db2.gz JCEOUXZTCQZSJR-UWVGGRQHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000937755594 662730103 /nfs/dbraw/zinc/73/01/03/662730103.db2.gz HRHNCQXGELZYSI-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000937745375 662730150 /nfs/dbraw/zinc/73/01/50/662730150.db2.gz HLOATOOTRTYXMX-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000937777781 662730249 /nfs/dbraw/zinc/73/02/49/662730249.db2.gz DTAIFQAMDJJKES-GXSJLCMTSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000937777781 662730252 /nfs/dbraw/zinc/73/02/52/662730252.db2.gz DTAIFQAMDJJKES-GXSJLCMTSA-N 1 1 308.342 -1.534 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CN1CN=NC1=O ZINC000988666129 662730364 /nfs/dbraw/zinc/73/03/64/662730364.db2.gz JCEOUXZTCQZSJR-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000937745539 662730449 /nfs/dbraw/zinc/73/04/49/662730449.db2.gz ATEPLVPVNQMNNE-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CN1CN=NC1=O ZINC000988668873 662730730 /nfs/dbraw/zinc/73/07/30/662730730.db2.gz VHVCTQGXLZWJGU-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937778729 662730755 /nfs/dbraw/zinc/73/07/55/662730755.db2.gz JUOAPDNNSAREEL-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937778729 662730757 /nfs/dbraw/zinc/73/07/57/662730757.db2.gz JUOAPDNNSAREEL-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000937779702 662730768 /nfs/dbraw/zinc/73/07/68/662730768.db2.gz PKKBSYDJAKJVAI-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000937779702 662730771 /nfs/dbraw/zinc/73/07/71/662730771.db2.gz PKKBSYDJAKJVAI-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1ccnn1 ZINC000988713383 662734961 /nfs/dbraw/zinc/73/49/61/662734961.db2.gz OYTONUNIFFBVKR-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)C1 ZINC000988719316 662735257 /nfs/dbraw/zinc/73/52/57/662735257.db2.gz MHTFAEMZHJQABD-JOYOIKCWSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988720168 662735433 /nfs/dbraw/zinc/73/54/33/662735433.db2.gz QAUCAMNZDMNLBQ-DTWKUNHWSA-N 1 1 321.341 -1.105 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000937983579 662736660 /nfs/dbraw/zinc/73/66/60/662736660.db2.gz HHSWEHZUKNDVPJ-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1 ZINC000937978687 662736823 /nfs/dbraw/zinc/73/68/23/662736823.db2.gz NOGATSWPOXNEOM-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000937976903 662736825 /nfs/dbraw/zinc/73/68/25/662736825.db2.gz WNPMVRVDMWKNHV-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000938001003 662737546 /nfs/dbraw/zinc/73/75/46/662737546.db2.gz MMFJXMMZCBZIKR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938015980 662738152 /nfs/dbraw/zinc/73/81/52/662738152.db2.gz AJRVPFOGVVSOKV-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000938050001 662738495 /nfs/dbraw/zinc/73/84/95/662738495.db2.gz PLVMSJBYDSUUNK-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000938050001 662738498 /nfs/dbraw/zinc/73/84/98/662738498.db2.gz PLVMSJBYDSUUNK-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000938040812 662738529 /nfs/dbraw/zinc/73/85/29/662738529.db2.gz OMRPDXBZDKWHDH-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938047456 662738589 /nfs/dbraw/zinc/73/85/89/662738589.db2.gz DNUVUYRZZLUILX-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938047456 662738591 /nfs/dbraw/zinc/73/85/91/662738591.db2.gz DNUVUYRZZLUILX-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1ncnn1 ZINC000988829582 662739290 /nfs/dbraw/zinc/73/92/90/662739290.db2.gz OOZCIPCTACSOKS-RKDXNWHRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000988829571 662739362 /nfs/dbraw/zinc/73/93/62/662739362.db2.gz OODWDTHKKWCWMP-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1ncnn1 ZINC000988825679 662739407 /nfs/dbraw/zinc/73/94/07/662739407.db2.gz DGWNFIHLELBEEE-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1ncnn1 ZINC000988829579 662739589 /nfs/dbraw/zinc/73/95/89/662739589.db2.gz OOZCIPCTACSOKS-BDAKNGLRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1nccn1 ZINC000988883472 662739838 /nfs/dbraw/zinc/73/98/38/662739838.db2.gz CVUMDHOVYUJFQJ-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)Cn1ncn(C)c1=O ZINC000989069459 662741032 /nfs/dbraw/zinc/74/10/32/662741032.db2.gz OFEJJDWZHGGFOM-NXEZZACHSA-N 1 1 321.341 -1.256 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000989181934 662742397 /nfs/dbraw/zinc/74/23/97/662742397.db2.gz XUHZFVYHUFBFQA-QJPTWQEYSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000989310256 662742956 /nfs/dbraw/zinc/74/29/56/662742956.db2.gz ZRBJNRDARPOFAS-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)c1nnn(C)n1 ZINC000989307907 662742965 /nfs/dbraw/zinc/74/29/65/662742965.db2.gz MJCAFADJIMYNSO-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989365174 662743780 /nfs/dbraw/zinc/74/37/80/662743780.db2.gz LNSZYYPTVLOMKC-IUCAKERBSA-N 1 1 318.341 -1.314 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000897560454 662743835 /nfs/dbraw/zinc/74/38/35/662743835.db2.gz NZBQQCVHJPMRGL-SNVBAGLBSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C(N)=O ZINC000989385190 662744366 /nfs/dbraw/zinc/74/43/66/662744366.db2.gz RHWWRKLYRBTHFN-DTWKUNHWSA-N 1 1 308.342 -1.627 20 0 DAADMO CCN1CC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000897617415 662744729 /nfs/dbraw/zinc/74/47/29/662744729.db2.gz PCKKNCWPHDVNCD-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000989422469 662744751 /nfs/dbraw/zinc/74/47/51/662744751.db2.gz LSSFXUGXNDPXDS-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989412817 662744794 /nfs/dbraw/zinc/74/47/94/662744794.db2.gz XFISALQUGAMUBA-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCNC1=O ZINC000897632875 662744878 /nfs/dbraw/zinc/74/48/78/662744878.db2.gz VWYCIFYMNGYESZ-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCNC1=O ZINC000898006242 662745794 /nfs/dbraw/zinc/74/57/94/662745794.db2.gz RVGAPKMHXAWROS-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCNC2=O)C[N@H+]1C1CC1 ZINC000898006537 662746455 /nfs/dbraw/zinc/74/64/55/662746455.db2.gz WOBJMTRZSGWOOY-MNOVXSKESA-N 1 1 323.397 -1.131 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC000898019877 662746820 /nfs/dbraw/zinc/74/68/20/662746820.db2.gz UVQBRNXZBUGJBI-JTQLQIEISA-N 1 1 303.384 -1.548 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989452673 662746869 /nfs/dbraw/zinc/74/68/69/662746869.db2.gz JHVBEKKPCIDBSA-JTQLQIEISA-N 1 1 320.353 -1.313 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989452673 662746870 /nfs/dbraw/zinc/74/68/70/662746870.db2.gz JHVBEKKPCIDBSA-JTQLQIEISA-N 1 1 320.353 -1.313 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000989516478 662748030 /nfs/dbraw/zinc/74/80/30/662748030.db2.gz VLBASTXOSNXFBT-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000989516478 662748033 /nfs/dbraw/zinc/74/80/33/662748033.db2.gz VLBASTXOSNXFBT-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO Cc1nn(CC(=O)N2CCC[N@H+](C[C@H](C)O)CC2)c(=O)n1C ZINC000989586111 662748918 /nfs/dbraw/zinc/74/89/18/662748918.db2.gz GOHHVBOFAOWLHG-NSHDSACASA-N 1 1 311.386 -1.195 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989597663 662749072 /nfs/dbraw/zinc/74/90/72/662749072.db2.gz VXWLJYPIFJHGRN-SCZZXKLOSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000989601760 662749175 /nfs/dbraw/zinc/74/91/75/662749175.db2.gz JLQUAKUNXYTPDH-CHWFTXMASA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000989601760 662749176 /nfs/dbraw/zinc/74/91/76/662749176.db2.gz JLQUAKUNXYTPDH-CHWFTXMASA-N 1 1 312.370 -1.704 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000989626310 662749449 /nfs/dbraw/zinc/74/94/49/662749449.db2.gz XHZOQCUQMOFELD-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cnnn1 ZINC000989602923 662749468 /nfs/dbraw/zinc/74/94/68/662749468.db2.gz ZSHPYGNFZVYUQU-NXEZZACHSA-N 1 1 320.361 -1.634 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[N@@H+](CCCO)CC2)C1=O ZINC000989628286 662749504 /nfs/dbraw/zinc/74/95/04/662749504.db2.gz WKOOLPHZFQOHFZ-UHFFFAOYSA-N 1 1 312.370 -1.203 20 0 DAADMO O=C(Cn1cncn1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000989619143 662749774 /nfs/dbraw/zinc/74/97/74/662749774.db2.gz BOAFCQQONUYIHQ-UHFFFAOYSA-N 1 1 321.385 -1.162 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCn1cnnn1 ZINC000989599647 662749854 /nfs/dbraw/zinc/74/98/54/662749854.db2.gz BMTSSRSBUQOUGP-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000989689066 662750232 /nfs/dbraw/zinc/75/02/32/662750232.db2.gz BGBUANUJRKUIFP-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cc1nnc[nH]1 ZINC000989656953 662750328 /nfs/dbraw/zinc/75/03/28/662750328.db2.gz JOXCSNSMPWRMJO-DTWKUNHWSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1C(=O)CNC1=O ZINC000989766377 662750955 /nfs/dbraw/zinc/75/09/55/662750955.db2.gz PXYJZYJLMHUHBD-RKDXNWHRSA-N 1 1 322.325 -1.300 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014429903 662751020 /nfs/dbraw/zinc/75/10/20/662751020.db2.gz QTQNSNMXZYMORF-SNVBAGLBSA-N 1 1 308.346 -2.111 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000989739619 662751103 /nfs/dbraw/zinc/75/11/03/662751103.db2.gz XKXISEFHUFDBEY-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[N@H+](CCCO)CC1 ZINC000989689762 662751139 /nfs/dbraw/zinc/75/11/39/662751139.db2.gz RYOUFWTWINBGRK-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815896 662751344 /nfs/dbraw/zinc/75/13/44/662751344.db2.gz PUOCKTIRZXDGFU-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815896 662751347 /nfs/dbraw/zinc/75/13/47/662751347.db2.gz PUOCKTIRZXDGFU-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(Cn1cnnn1)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC000989938461 662752008 /nfs/dbraw/zinc/75/20/08/662752008.db2.gz CZHXBEZUNDGWHB-SUNKGSAMSA-N 1 1 319.369 -1.325 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989939850 662752067 /nfs/dbraw/zinc/75/20/67/662752067.db2.gz NEGOLBXCBRGKRD-NRUUGDAUSA-N 1 1 307.358 -1.340 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989940585 662752109 /nfs/dbraw/zinc/75/21/09/662752109.db2.gz XPNDFOAQMGWNTA-COPLHBTASA-N 1 1 321.385 -1.079 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC000989940586 662752239 /nfs/dbraw/zinc/75/22/39/662752239.db2.gz XPNDFOAQMGWNTA-MISXGVKJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489232 662752601 /nfs/dbraw/zinc/75/26/01/662752601.db2.gz BWMXCVCHMVBGHC-SFYZADRCSA-N 1 1 309.330 -2.559 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489232 662752604 /nfs/dbraw/zinc/75/26/04/662752604.db2.gz BWMXCVCHMVBGHC-SFYZADRCSA-N 1 1 309.330 -2.559 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990140249 662753721 /nfs/dbraw/zinc/75/37/21/662753721.db2.gz INSGXGSTTOZBFX-CYBMUJFWSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990140249 662753722 /nfs/dbraw/zinc/75/37/22/662753722.db2.gz INSGXGSTTOZBFX-CYBMUJFWSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990140250 662753757 /nfs/dbraw/zinc/75/37/57/662753757.db2.gz INSGXGSTTOZBFX-ZDUSSCGKSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990140250 662753760 /nfs/dbraw/zinc/75/37/60/662753760.db2.gz INSGXGSTTOZBFX-ZDUSSCGKSA-N 1 1 320.349 -1.409 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000990188520 662755626 /nfs/dbraw/zinc/75/56/26/662755626.db2.gz SFWYINGWFFAVCO-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000990189014 662755699 /nfs/dbraw/zinc/75/56/99/662755699.db2.gz OBVVTJIAETUKLK-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990190041 662756028 /nfs/dbraw/zinc/75/60/28/662756028.db2.gz GVZIPFSRPWHROC-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990189947 662756143 /nfs/dbraw/zinc/75/61/43/662756143.db2.gz FZPALNBFCKTGIF-MWLCHTKSSA-N 1 1 307.358 -1.802 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cnn1C ZINC000990252759 662757275 /nfs/dbraw/zinc/75/72/75/662757275.db2.gz SMNBMGVBRCDMBU-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cnn1C ZINC000990252759 662757277 /nfs/dbraw/zinc/75/72/77/662757277.db2.gz SMNBMGVBRCDMBU-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnns3)C2)C1 ZINC000990352634 662759838 /nfs/dbraw/zinc/75/98/38/662759838.db2.gz GBCZMFYXNAIMAA-VIFPVBQESA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnns3)C2)C1 ZINC000990352634 662759840 /nfs/dbraw/zinc/75/98/40/662759840.db2.gz GBCZMFYXNAIMAA-VIFPVBQESA-N 1 1 311.367 -1.191 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000990353579 662760101 /nfs/dbraw/zinc/76/01/01/662760101.db2.gz LXFYHDLPKRRSKO-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000990353579 662760104 /nfs/dbraw/zinc/76/01/04/662760104.db2.gz LXFYHDLPKRRSKO-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3COC(=O)N3)CCC[C@@H]12 ZINC000990480090 662762517 /nfs/dbraw/zinc/76/25/17/662762517.db2.gz WNWHJFUFCFKVNS-GPCCPHFNSA-N 1 1 310.354 -1.046 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1=O ZINC000990507277 662763535 /nfs/dbraw/zinc/76/35/35/662763535.db2.gz GEOYNJHBDDQXDZ-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)O1 ZINC000990503662 662763558 /nfs/dbraw/zinc/76/35/58/662763558.db2.gz PFBKBUQKIWRRGN-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)O1 ZINC000990503662 662763561 /nfs/dbraw/zinc/76/35/61/662763561.db2.gz PFBKBUQKIWRRGN-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000990511310 662763703 /nfs/dbraw/zinc/76/37/03/662763703.db2.gz TVGAOMZOEHRBSU-MWLCHTKSSA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCNC(=O)C2)C1 ZINC000990508228 662763880 /nfs/dbraw/zinc/76/38/80/662763880.db2.gz JGTKMEAYKQZIEE-LBPRGKRZSA-N 1 1 323.397 -2.161 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000990515221 662764012 /nfs/dbraw/zinc/76/40/12/662764012.db2.gz TUUMFYONJBHGAN-ABAIWWIYSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990518728 662764028 /nfs/dbraw/zinc/76/40/28/662764028.db2.gz QSECPIJTKWQRIG-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000990513007 662764070 /nfs/dbraw/zinc/76/40/70/662764070.db2.gz DMKTXBJXFKVZJK-LLVKDONJSA-N 1 1 322.365 -1.443 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000990513032 662764095 /nfs/dbraw/zinc/76/40/95/662764095.db2.gz DTCMTYCHFTZFEA-UWVGGRQHSA-N 1 1 323.353 -1.994 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)ncc1=O ZINC000990516421 662764491 /nfs/dbraw/zinc/76/44/91/662764491.db2.gz JKAWMBSZSKJHIK-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014573919 662764832 /nfs/dbraw/zinc/76/48/32/662764832.db2.gz OSLKVLRRZNEOOT-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014573923 662765050 /nfs/dbraw/zinc/76/50/50/662765050.db2.gz OSLKVLRRZNEOOT-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000990615185 662766581 /nfs/dbraw/zinc/76/65/81/662766581.db2.gz ARSDTRGGHMZWIF-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000990615185 662766585 /nfs/dbraw/zinc/76/65/85/662766585.db2.gz ARSDTRGGHMZWIF-JQWIXIFHSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000990615146 662766767 /nfs/dbraw/zinc/76/67/67/662766767.db2.gz AJROXCQBBKJUFN-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCn3cncn3)C2)C1 ZINC000990615146 662766769 /nfs/dbraw/zinc/76/67/69/662766769.db2.gz AJROXCQBBKJUFN-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990616495 662767200 /nfs/dbraw/zinc/76/72/00/662767200.db2.gz JVQJIAQZRXENJU-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990616495 662767203 /nfs/dbraw/zinc/76/72/03/662767203.db2.gz JVQJIAQZRXENJU-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990616041 662767208 /nfs/dbraw/zinc/76/72/08/662767208.db2.gz GXCXBMTWJKUYLJ-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990616041 662767211 /nfs/dbraw/zinc/76/72/11/662767211.db2.gz GXCXBMTWJKUYLJ-MNOVXSKESA-N 1 1 310.354 -2.077 20 0 DAADMO CCn1nncc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990615526 662767413 /nfs/dbraw/zinc/76/74/13/662767413.db2.gz CQAZUNJDGNHSRM-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1nncc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990615526 662767415 /nfs/dbraw/zinc/76/74/15/662767415.db2.gz CQAZUNJDGNHSRM-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO Cc1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990617610 662767453 /nfs/dbraw/zinc/76/74/53/662767453.db2.gz NZSHUFLNXWRNIO-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990617610 662767455 /nfs/dbraw/zinc/76/74/55/662767455.db2.gz NZSHUFLNXWRNIO-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990617102 662767472 /nfs/dbraw/zinc/76/74/72/662767472.db2.gz LHGUCSZTCLGVQR-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cccnn3)C2)C1 ZINC000990617088 662767631 /nfs/dbraw/zinc/76/76/31/662767631.db2.gz NMPAMTHBTDZBNL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cccnn3)C2)C1 ZINC000990617088 662767632 /nfs/dbraw/zinc/76/76/32/662767632.db2.gz NMPAMTHBTDZBNL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990616975 662767828 /nfs/dbraw/zinc/76/78/28/662767828.db2.gz KPFMXCJVOFESOK-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990616975 662767831 /nfs/dbraw/zinc/76/78/31/662767831.db2.gz KPFMXCJVOFESOK-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000990615503 662767836 /nfs/dbraw/zinc/76/78/36/662767836.db2.gz CFKAIHMDEQOZGE-ZDUSSCGKSA-N 1 1 321.381 -1.082 20 0 DAADMO Cc1cc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000990615503 662767838 /nfs/dbraw/zinc/76/78/38/662767838.db2.gz CFKAIHMDEQOZGE-ZDUSSCGKSA-N 1 1 321.381 -1.082 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000990620258 662767884 /nfs/dbraw/zinc/76/78/84/662767884.db2.gz AAOWNOQGKPDPRN-XQHKEYJVSA-N 1 1 309.366 -1.464 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000990620258 662767887 /nfs/dbraw/zinc/76/78/87/662767887.db2.gz AAOWNOQGKPDPRN-XQHKEYJVSA-N 1 1 309.366 -1.464 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990616966 662767941 /nfs/dbraw/zinc/76/79/41/662767941.db2.gz KPFMXCJVOFESOK-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990616966 662767945 /nfs/dbraw/zinc/76/79/45/662767945.db2.gz KPFMXCJVOFESOK-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n(C)n1 ZINC000990617987 662768052 /nfs/dbraw/zinc/76/80/52/662768052.db2.gz PVLIBGCAYJGYLS-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n(C)n1 ZINC000990617987 662768055 /nfs/dbraw/zinc/76/80/55/662768055.db2.gz PVLIBGCAYJGYLS-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c[nH]c1=O ZINC000990622507 662768108 /nfs/dbraw/zinc/76/81/08/662768108.db2.gz IKFGSKCXNZBTFK-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1c(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c[nH]c1=O ZINC000990622507 662768111 /nfs/dbraw/zinc/76/81/11/662768111.db2.gz IKFGSKCXNZBTFK-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000990620526 662768258 /nfs/dbraw/zinc/76/82/58/662768258.db2.gz AZECHUXWBFRPRV-ABAIWWIYSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000990620526 662768259 /nfs/dbraw/zinc/76/82/59/662768259.db2.gz AZECHUXWBFRPRV-ABAIWWIYSA-N 1 1 324.381 -1.687 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cnn1C ZINC000990619392 662768261 /nfs/dbraw/zinc/76/82/61/662768261.db2.gz WIUGVKAXGZOCFZ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cnn1C ZINC000990619392 662768262 /nfs/dbraw/zinc/76/82/62/662768262.db2.gz WIUGVKAXGZOCFZ-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000990622573 662768318 /nfs/dbraw/zinc/76/83/18/662768318.db2.gz JVBHXZCWMQCUDE-WBIUFABUSA-N 1 1 309.366 -1.320 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC000990622573 662768320 /nfs/dbraw/zinc/76/83/20/662768320.db2.gz JVBHXZCWMQCUDE-WBIUFABUSA-N 1 1 309.366 -1.320 20 0 DAADMO Cc1nonc1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990620517 662768384 /nfs/dbraw/zinc/76/83/84/662768384.db2.gz AYVQZXLFWPRQPA-GFCCVEGCSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nonc1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990620517 662768387 /nfs/dbraw/zinc/76/83/87/662768387.db2.gz AYVQZXLFWPRQPA-GFCCVEGCSA-N 1 1 323.353 -1.422 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990619195 662768393 /nfs/dbraw/zinc/76/83/93/662768393.db2.gz VFATZBASQCXHEB-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990619195 662768395 /nfs/dbraw/zinc/76/83/95/662768395.db2.gz VFATZBASQCXHEB-LLVKDONJSA-N 1 1 308.342 -1.914 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000990620382 662768399 /nfs/dbraw/zinc/76/83/99/662768399.db2.gz ASPAQJBRMUYXPX-CMPLNLGQSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000990620382 662768401 /nfs/dbraw/zinc/76/84/01/662768401.db2.gz ASPAQJBRMUYXPX-CMPLNLGQSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000990619031 662768442 /nfs/dbraw/zinc/76/84/42/662768442.db2.gz YZRAAQKLSITDMY-LLVKDONJSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000990619031 662768444 /nfs/dbraw/zinc/76/84/44/662768444.db2.gz YZRAAQKLSITDMY-LLVKDONJSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990619899 662768498 /nfs/dbraw/zinc/76/84/98/662768498.db2.gz YLJGVZTVPSLCFY-ZDUSSCGKSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990619899 662768500 /nfs/dbraw/zinc/76/85/00/662768500.db2.gz YLJGVZTVPSLCFY-ZDUSSCGKSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990619893 662768503 /nfs/dbraw/zinc/76/85/03/662768503.db2.gz YLJGVZTVPSLCFY-CYBMUJFWSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cc[n+]([O-])cc3)C2)C1 ZINC000990619893 662768505 /nfs/dbraw/zinc/76/85/05/662768505.db2.gz YLJGVZTVPSLCFY-CYBMUJFWSA-N 1 1 320.349 -1.409 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000990618052 662768560 /nfs/dbraw/zinc/76/85/60/662768560.db2.gz QPDBZVAVMNGADL-VHSXEESVSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000990618052 662768562 /nfs/dbraw/zinc/76/85/62/662768562.db2.gz QPDBZVAVMNGADL-VHSXEESVSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000990619032 662768572 /nfs/dbraw/zinc/76/85/72/662768572.db2.gz YZRAAQKLSITDMY-NSHDSACASA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000990619032 662768573 /nfs/dbraw/zinc/76/85/73/662768573.db2.gz YZRAAQKLSITDMY-NSHDSACASA-N 1 1 307.354 -1.390 20 0 DAADMO COc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)co1 ZINC000990622715 662768578 /nfs/dbraw/zinc/76/85/78/662768578.db2.gz MODHODIWLBRYPH-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO COc1nc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)co1 ZINC000990622715 662768582 /nfs/dbraw/zinc/76/85/82/662768582.db2.gz MODHODIWLBRYPH-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000990622984 662768616 /nfs/dbraw/zinc/76/86/16/662768616.db2.gz LDMHIALFRWEXOE-RISCZKNCSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000990622984 662768618 /nfs/dbraw/zinc/76/86/18/662768618.db2.gz LDMHIALFRWEXOE-RISCZKNCSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000990618048 662768622 /nfs/dbraw/zinc/76/86/22/662768622.db2.gz QPDBZVAVMNGADL-NXEZZACHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000990618048 662768624 /nfs/dbraw/zinc/76/86/24/662768624.db2.gz QPDBZVAVMNGADL-NXEZZACHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000990619917 662768669 /nfs/dbraw/zinc/76/86/69/662768669.db2.gz YNNAPMINPHDQIW-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000990619917 662768670 /nfs/dbraw/zinc/76/86/70/662768670.db2.gz YNNAPMINPHDQIW-JTQLQIEISA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC000990632739 662768720 /nfs/dbraw/zinc/76/87/20/662768720.db2.gz TZICSQBZIXHRFY-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC000990632739 662768723 /nfs/dbraw/zinc/76/87/23/662768723.db2.gz TZICSQBZIXHRFY-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccnnc3)C2)C1 ZINC000990633649 662768901 /nfs/dbraw/zinc/76/89/01/662768901.db2.gz WCNGWCHMNQNQHV-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3ccnnc3)C2)C1 ZINC000990633649 662768902 /nfs/dbraw/zinc/76/89/02/662768902.db2.gz WCNGWCHMNQNQHV-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]c1=O ZINC000990634307 662768987 /nfs/dbraw/zinc/76/89/87/662768987.db2.gz XRLDUQIJUXBCLT-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]c1=O ZINC000990634307 662768988 /nfs/dbraw/zinc/76/89/88/662768988.db2.gz XRLDUQIJUXBCLT-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cc1ccnn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990633588 662769006 /nfs/dbraw/zinc/76/90/06/662769006.db2.gz VWKIRWFTBVINAY-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccnn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990633588 662769009 /nfs/dbraw/zinc/76/90/09/662769009.db2.gz VWKIRWFTBVINAY-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000990623909 662769054 /nfs/dbraw/zinc/76/90/54/662769054.db2.gz PCECRXCQMCRWFR-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000990623909 662769057 /nfs/dbraw/zinc/76/90/57/662769057.db2.gz PCECRXCQMCRWFR-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000990623904 662769226 /nfs/dbraw/zinc/76/92/26/662769226.db2.gz PCECRXCQMCRWFR-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000990623904 662769228 /nfs/dbraw/zinc/76/92/28/662769228.db2.gz PCECRXCQMCRWFR-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1ccnn1CC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990633583 662769265 /nfs/dbraw/zinc/76/92/65/662769265.db2.gz VWKIRWFTBVINAY-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccnn1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990633583 662769266 /nfs/dbraw/zinc/76/92/66/662769266.db2.gz VWKIRWFTBVINAY-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1C ZINC000990627181 662769365 /nfs/dbraw/zinc/76/93/65/662769365.db2.gz XPLHZHVVDPLRRL-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1C ZINC000990627181 662769368 /nfs/dbraw/zinc/76/93/68/662769368.db2.gz XPLHZHVVDPLRRL-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990632185 662769557 /nfs/dbraw/zinc/76/95/57/662769557.db2.gz ROMTZOFMMDZYFH-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1ncn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990632185 662769563 /nfs/dbraw/zinc/76/95/63/662769563.db2.gz ROMTZOFMMDZYFH-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000990623127 662769591 /nfs/dbraw/zinc/76/95/91/662769591.db2.gz PIRVLULJIMNPJB-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCN1C(=O)CNC1=O ZINC001038114472 662769956 /nfs/dbraw/zinc/76/99/56/662769956.db2.gz FVFOUJUAEROVKO-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000990634783 662770091 /nfs/dbraw/zinc/77/00/91/662770091.db2.gz ZMBRJOGYKKNXOF-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000990634783 662770093 /nfs/dbraw/zinc/77/00/93/662770093.db2.gz ZMBRJOGYKKNXOF-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014624835 662770324 /nfs/dbraw/zinc/77/03/24/662770324.db2.gz CAKPWEKJHWQITG-RYUDHWBXSA-N 1 1 324.381 -1.228 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990693999 662770394 /nfs/dbraw/zinc/77/03/94/662770394.db2.gz YYWKSIQGZWMGQS-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990711942 662770607 /nfs/dbraw/zinc/77/06/07/662770607.db2.gz NVEMJYVDYFFZLW-WDMOLILDSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@H]12 ZINC000990716149 662770888 /nfs/dbraw/zinc/77/08/88/662770888.db2.gz XGMCSSISOXFWBB-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCNC1=O ZINC000898697073 662771163 /nfs/dbraw/zinc/77/11/63/662771163.db2.gz ORDSFZUXFYMFCD-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899061406 662771678 /nfs/dbraw/zinc/77/16/78/662771678.db2.gz FELLXJKUXLBVSN-UHFFFAOYSA-N 1 1 313.354 -1.590 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899061406 662771681 /nfs/dbraw/zinc/77/16/81/662771681.db2.gz FELLXJKUXLBVSN-UHFFFAOYSA-N 1 1 313.354 -1.590 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CCCS1(=O)=O ZINC000900436571 662777115 /nfs/dbraw/zinc/77/71/15/662777115.db2.gz LMJJLUMOYXCZPN-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000899468718 662772930 /nfs/dbraw/zinc/77/29/30/662772930.db2.gz USQGTCYIVGOIJQ-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000899468718 662772932 /nfs/dbraw/zinc/77/29/32/662772932.db2.gz USQGTCYIVGOIJQ-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990795383 662773335 /nfs/dbraw/zinc/77/33/35/662773335.db2.gz HCROFPWVWYZKMO-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990795383 662773338 /nfs/dbraw/zinc/77/33/38/662773338.db2.gz HCROFPWVWYZKMO-ZYHUDNBSSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1ccnc(N2CCOCC2)n1 ZINC000899740680 662774766 /nfs/dbraw/zinc/77/47/66/662774766.db2.gz GWGYNOLKDKPKRI-UHFFFAOYSA-N 1 1 309.370 -1.033 20 0 DAADMO Cc1ccn(C[C@](C)(O)C(=O)NCC[N@@H+](C)CCO)c(=O)c1 ZINC000899738135 662774796 /nfs/dbraw/zinc/77/47/96/662774796.db2.gz SPMCRVAWAHEICC-HNNXBMFYSA-N 1 1 311.382 -1.052 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CSCC(=O)N1CCOCC1 ZINC000899730121 662774946 /nfs/dbraw/zinc/77/49/46/662774946.db2.gz SQUONCNOKMDINK-UHFFFAOYSA-N 1 1 319.427 -1.381 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000899732328 662774951 /nfs/dbraw/zinc/77/49/51/662774951.db2.gz HTZWRZTXLXWFKN-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899978168 662775768 /nfs/dbraw/zinc/77/57/68/662775768.db2.gz VPCVAUYEDXCRCB-SWLSCSKDSA-N 1 1 312.414 -1.326 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000899987499 662775928 /nfs/dbraw/zinc/77/59/28/662775928.db2.gz SKTLHYKFNPZUCS-XJKSGUPXSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000900100247 662776164 /nfs/dbraw/zinc/77/61/64/662776164.db2.gz BWLTZWNSRSKKOP-DGCLKSJQSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000900191131 662776626 /nfs/dbraw/zinc/77/66/26/662776626.db2.gz MHKGKIAKDYLMOE-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000900191486 662776667 /nfs/dbraw/zinc/77/66/67/662776667.db2.gz ASIDWDUNTBWIQK-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000900191130 662776835 /nfs/dbraw/zinc/77/68/35/662776835.db2.gz MHKGKIAKDYLMOE-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900448662 662777571 /nfs/dbraw/zinc/77/75/71/662777571.db2.gz MIUZNNJCMJTFIP-WCQYABFASA-N 1 1 319.427 -1.065 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC000900603139 662777926 /nfs/dbraw/zinc/77/79/26/662777926.db2.gz UVWQSPVUQVKEQS-AVGNSLFASA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900603271 662777941 /nfs/dbraw/zinc/77/79/41/662777941.db2.gz NBRCPPPJVVUHES-JTQLQIEISA-N 1 1 305.400 -1.597 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900641906 662778399 /nfs/dbraw/zinc/77/83/99/662778399.db2.gz ABIFCMVFCWYAEJ-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)CC1 ZINC000900613969 662778497 /nfs/dbraw/zinc/77/84/97/662778497.db2.gz BMEJXXOELCINFX-NSHDSACASA-N 1 1 309.370 -1.614 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900648205 662778702 /nfs/dbraw/zinc/77/87/02/662778702.db2.gz WXGXOSINDRJWBK-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900684230 662778722 /nfs/dbraw/zinc/77/87/22/662778722.db2.gz KHQMETYNLFIXCF-UHFFFAOYSA-N 1 1 305.400 -1.332 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000900732648 662779034 /nfs/dbraw/zinc/77/90/34/662779034.db2.gz VECKJDJNEQESPN-UPJWGTAASA-N 1 1 310.398 -1.370 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900706645 662779269 /nfs/dbraw/zinc/77/92/69/662779269.db2.gz IZOHULHFBGMAKA-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900706645 662779267 /nfs/dbraw/zinc/77/92/67/662779267.db2.gz IZOHULHFBGMAKA-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1OCCN(C)C1=O)CN1CC[NH+](C)CC1 ZINC000900693206 662779516 /nfs/dbraw/zinc/77/95/16/662779516.db2.gz OWXOMKUEZODEHD-STQMWFEESA-N 1 1 312.414 -1.157 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900966782 662780318 /nfs/dbraw/zinc/78/03/18/662780318.db2.gz HVUCYWVYYZYSOH-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900966782 662780319 /nfs/dbraw/zinc/78/03/19/662780319.db2.gz HVUCYWVYYZYSOH-LOWVWBTDSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000901094953 662780610 /nfs/dbraw/zinc/78/06/10/662780610.db2.gz UGRRBCYUQJTMBK-CYBMUJFWSA-N 1 1 324.406 -1.033 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000901192008 662781229 /nfs/dbraw/zinc/78/12/29/662781229.db2.gz CZACGDUAXCVGEA-MDZLAQPJSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901270708 662781453 /nfs/dbraw/zinc/78/14/53/662781453.db2.gz OUKXJKMMSDZPHT-IUODEOHRSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990911746 662782954 /nfs/dbraw/zinc/78/29/54/662782954.db2.gz VCKPEVAIKKWKTQ-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990911929 662783039 /nfs/dbraw/zinc/78/30/39/662783039.db2.gz YBEATYFQBKGMLH-GXTWGEPZSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000990919881 662784026 /nfs/dbraw/zinc/78/40/26/662784026.db2.gz HFNKIDYOAMNQJS-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990923434 662784250 /nfs/dbraw/zinc/78/42/50/662784250.db2.gz WTOPEEYZOYRZCJ-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2COCCN2C)C1 ZINC000990926319 662784550 /nfs/dbraw/zinc/78/45/50/662784550.db2.gz SXOWOHCRQLDBSW-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3COCCN3C)C2)CC[N@H+]1C ZINC000990921531 662784730 /nfs/dbraw/zinc/78/47/30/662784730.db2.gz HLYJOZBIHUQPMB-BNOWGMLFSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3COCCN3C)C2)C1 ZINC000990932058 662785067 /nfs/dbraw/zinc/78/50/67/662785067.db2.gz WDFRJUMOQVRDHO-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3COCCN3C)C2)C1 ZINC000990932060 662785109 /nfs/dbraw/zinc/78/51/09/662785109.db2.gz WDFRJUMOQVRDHO-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)CC[N@H+]1C ZINC000990942381 662785462 /nfs/dbraw/zinc/78/54/62/662785462.db2.gz JKZWLSKQQMMMFE-MWLCHTKSSA-N 1 1 322.369 -1.349 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990943585 662786038 /nfs/dbraw/zinc/78/60/38/662786038.db2.gz SIORSVDUINODLM-UHFFFAOYSA-N 1 1 319.325 -1.484 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990942850 662786374 /nfs/dbraw/zinc/78/63/74/662786374.db2.gz MTWPBPZLPTZCKK-SECBINFHSA-N 1 1 308.342 -1.738 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cncnc3)C2)C1 ZINC000990962700 662787611 /nfs/dbraw/zinc/78/76/11/662787611.db2.gz USWYTYRVRXRRPB-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cncnc3)C2)C1 ZINC000990962700 662787614 /nfs/dbraw/zinc/78/76/14/662787614.db2.gz USWYTYRVRXRRPB-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000938275838 662787950 /nfs/dbraw/zinc/78/79/50/662787950.db2.gz BEMOZPIZYPPMAZ-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000938275838 662787953 /nfs/dbraw/zinc/78/79/53/662787953.db2.gz BEMOZPIZYPPMAZ-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO CN1C(=O)C(=O)N(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000902643185 662789268 /nfs/dbraw/zinc/78/92/68/662789268.db2.gz KNYNKZQOPUILSN-MNOVXSKESA-N 1 1 310.354 -1.105 20 0 DAADMO C[C@@H]1C[N@H+](CCC(=O)N2CCNCC2)C[C@H]1CS(N)(=O)=O ZINC000903827168 662790633 /nfs/dbraw/zinc/79/06/33/662790633.db2.gz POWXGOIOKJVKGS-NEPJUHHUSA-N 1 1 318.443 -1.335 20 0 DAADMO C[C@@H]1C[N@@H+](CCC(=O)N2CCNCC2)C[C@H]1CS(N)(=O)=O ZINC000903827168 662790637 /nfs/dbraw/zinc/79/06/37/662790637.db2.gz POWXGOIOKJVKGS-NEPJUHHUSA-N 1 1 318.443 -1.335 20 0 DAADMO CCn1cc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000903786691 662791029 /nfs/dbraw/zinc/79/10/29/662791029.db2.gz PCMAYPHPWNEYLY-UHFFFAOYSA-N 1 1 314.415 -1.283 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134671 662791115 /nfs/dbraw/zinc/79/11/15/662791115.db2.gz GYISRLRQLDRGJT-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134671 662791121 /nfs/dbraw/zinc/79/11/21/662791121.db2.gz GYISRLRQLDRGJT-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134674 662791508 /nfs/dbraw/zinc/79/15/08/662791508.db2.gz GYISRLRQLDRGJT-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134674 662791509 /nfs/dbraw/zinc/79/15/09/662791509.db2.gz GYISRLRQLDRGJT-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991047590 662791684 /nfs/dbraw/zinc/79/16/84/662791684.db2.gz XEHPIUSXPAVMKP-LLVKDONJSA-N 1 1 308.382 -1.257 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000905012827 662793252 /nfs/dbraw/zinc/79/32/52/662793252.db2.gz FBAVVRBVBHMCLD-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000904985344 662793435 /nfs/dbraw/zinc/79/34/35/662793435.db2.gz ACFRJLTULFMHOJ-FRRDWIJNSA-N 1 1 310.398 -1.396 20 0 DAADMO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904986065 662793741 /nfs/dbraw/zinc/79/37/41/662793741.db2.gz FMOKXWLEDVZMLE-STQMWFEESA-N 1 1 312.414 -1.149 20 0 DAADMO COCC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000904989454 662793753 /nfs/dbraw/zinc/79/37/53/662793753.db2.gz YHXCZNFCKOWFTF-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000904989645 662794065 /nfs/dbraw/zinc/79/40/65/662794065.db2.gz MNJAKSQXIFSVQX-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCNC(=O)CO ZINC000906679698 662796284 /nfs/dbraw/zinc/79/62/84/662796284.db2.gz YSSPXKASWMJEGW-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCNC(=O)CO ZINC000906679698 662796288 /nfs/dbraw/zinc/79/62/88/662796288.db2.gz YSSPXKASWMJEGW-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[NH+](C)CCN1CCC(CNC(=O)CCNC(=O)CO)CC1 ZINC000906677968 662796344 /nfs/dbraw/zinc/79/63/44/662796344.db2.gz BYIPRDQDSFGEOK-UHFFFAOYSA-N 1 1 314.430 -1.125 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000906900886 662796687 /nfs/dbraw/zinc/79/66/87/662796687.db2.gz GLZMOIRHUYPWJJ-NSHDSACASA-N 1 1 309.370 -1.758 20 0 DAADMO CN(C)C(=O)COC1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906904484 662796776 /nfs/dbraw/zinc/79/67/76/662796776.db2.gz GGNXJRIPDJMTNT-UHFFFAOYSA-N 1 1 312.414 -1.205 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)CO)C[C@H]1C ZINC000907215285 662797154 /nfs/dbraw/zinc/79/71/54/662797154.db2.gz XMMVTJTUAVGHAY-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)CO)C[C@H]1C ZINC000907215285 662797155 /nfs/dbraw/zinc/79/71/55/662797155.db2.gz XMMVTJTUAVGHAY-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO CCOC(=O)[C@@](C)(O)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907368340 662797430 /nfs/dbraw/zinc/79/74/30/662797430.db2.gz NMAREXLIMZXBMC-AWEZNQCLSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000907517360 662798161 /nfs/dbraw/zinc/79/81/61/662798161.db2.gz KKLDDQOKLUEOCL-QWRGUYRKSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000907517360 662798162 /nfs/dbraw/zinc/79/81/62/662798162.db2.gz KKLDDQOKLUEOCL-QWRGUYRKSA-N 1 1 319.427 -1.209 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1=O ZINC000907790953 662798402 /nfs/dbraw/zinc/79/84/02/662798402.db2.gz SMNAMUMMSAKPQZ-IAQYHMDHSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1=O ZINC000907790955 662798693 /nfs/dbraw/zinc/79/86/93/662798693.db2.gz SMNAMUMMSAKPQZ-XHDPSFHLSA-N 1 1 324.381 -1.492 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)CN2CCOCC2)C1 ZINC000907974673 662799030 /nfs/dbraw/zinc/79/90/30/662799030.db2.gz FOCSHNHZWBTGET-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908029976 662799034 /nfs/dbraw/zinc/79/90/34/662799034.db2.gz UVNGIOKZMZCZBV-GFCCVEGCSA-N 1 1 316.427 -1.616 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000908036064 662799058 /nfs/dbraw/zinc/79/90/58/662799058.db2.gz BRHQJKYXSBZIHQ-ILDFIYDHSA-N 1 1 305.400 -1.362 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000908036068 662799390 /nfs/dbraw/zinc/79/93/90/662799390.db2.gz BRHQJKYXSBZIHQ-PQFJONNWSA-N 1 1 305.400 -1.362 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000991098414 662799736 /nfs/dbraw/zinc/79/97/36/662799736.db2.gz AJZIBDBKDHJCOF-RBZYPMLTSA-N 1 1 310.354 -1.310 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991099897 662800069 /nfs/dbraw/zinc/80/00/69/662800069.db2.gz LJXRCJLDPGJMMA-UINNMSKDSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991099897 662800070 /nfs/dbraw/zinc/80/00/70/662800070.db2.gz LJXRCJLDPGJMMA-UINNMSKDSA-N 1 1 323.353 -1.817 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991120404 662801630 /nfs/dbraw/zinc/80/16/30/662801630.db2.gz AWGBSRACFUOVBU-JTQLQIEISA-N 1 1 307.310 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991120963 662801870 /nfs/dbraw/zinc/80/18/70/662801870.db2.gz RCGNQGXLNUTXAF-ONGXEEELSA-N 1 1 310.354 -1.236 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908304609 662802598 /nfs/dbraw/zinc/80/25/98/662802598.db2.gz XQNLTLYFWGSKDQ-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908541146 662802816 /nfs/dbraw/zinc/80/28/16/662802816.db2.gz QJQKOLDVAFCKFN-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000908477580 662802920 /nfs/dbraw/zinc/80/29/20/662802920.db2.gz AHSBMXYJVYFKTA-NSHDSACASA-N 1 1 300.355 -1.173 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC(O)(CO)C2)C1 ZINC000908477580 662802921 /nfs/dbraw/zinc/80/29/21/662802921.db2.gz AHSBMXYJVYFKTA-NSHDSACASA-N 1 1 300.355 -1.173 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000908527346 662802926 /nfs/dbraw/zinc/80/29/26/662802926.db2.gz RXKMTDYPHMFBKZ-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908560595 662802965 /nfs/dbraw/zinc/80/29/65/662802965.db2.gz TZSXDLVZGCQETI-FOGDFJRCSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991176604 663126622 /nfs/dbraw/zinc/12/66/22/663126622.db2.gz LVHXHQHNEVRUNS-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)O1 ZINC000991178379 663126742 /nfs/dbraw/zinc/12/67/42/663126742.db2.gz DOZRWFNHPHEHRR-MWLCHTKSSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)O1 ZINC000991178379 663126746 /nfs/dbraw/zinc/12/67/46/663126746.db2.gz DOZRWFNHPHEHRR-MWLCHTKSSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991178785 663127070 /nfs/dbraw/zinc/12/70/70/663127070.db2.gz HOGPHHASOFJNID-GXSJLCMTSA-N 1 1 306.370 -1.047 20 0 DAADMO CCn1nncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991183306 663127073 /nfs/dbraw/zinc/12/70/73/663127073.db2.gz KKBUPKZFGTYBNM-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1nncc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991183306 663127074 /nfs/dbraw/zinc/12/70/74/663127074.db2.gz KKBUPKZFGTYBNM-LBPRGKRZSA-N 1 1 322.369 -1.431 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001038380103 663127568 /nfs/dbraw/zinc/12/75/68/663127568.db2.gz ZDRQFFCUZIARRD-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCCNC1=O ZINC001038380103 663127569 /nfs/dbraw/zinc/12/75/69/663127569.db2.gz ZDRQFFCUZIARRD-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2OCCN(C)C2=O)CC[N@@H+](C)C1 ZINC000910413484 663129114 /nfs/dbraw/zinc/12/91/14/663129114.db2.gz LPVNUPDLJDSFLV-WDEREUQCSA-N 1 1 313.354 -1.593 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H]2OCCN(C)C2=O)CC[N@@H+](C)C1 ZINC000910413482 663129224 /nfs/dbraw/zinc/12/92/24/663129224.db2.gz LPVNUPDLJDSFLV-MNOVXSKESA-N 1 1 313.354 -1.593 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000991263691 663129602 /nfs/dbraw/zinc/12/96/02/663129602.db2.gz KEBPRNVSVKKGCZ-LLVKDONJSA-N 1 1 322.369 -1.687 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000991263691 663129604 /nfs/dbraw/zinc/12/96/04/663129604.db2.gz KEBPRNVSVKKGCZ-LLVKDONJSA-N 1 1 322.369 -1.687 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)C[C@]2(C)C1 ZINC000910604644 663130758 /nfs/dbraw/zinc/13/07/58/663130758.db2.gz NDAXSURSZLNGAW-ZETOZRRWSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000910708143 663131480 /nfs/dbraw/zinc/13/14/80/663131480.db2.gz UJCQZGSDBHTWTA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000910708143 663131482 /nfs/dbraw/zinc/13/14/82/663131482.db2.gz UJCQZGSDBHTWTA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)C[C@]2(C)C1 ZINC000910720777 663131735 /nfs/dbraw/zinc/13/17/35/663131735.db2.gz FSNQLNJNWVFJNF-YFCNSXCBSA-N 1 1 311.382 -1.792 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000910700505 663131764 /nfs/dbraw/zinc/13/17/64/663131764.db2.gz ROXKCAHHKMHJOB-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000910700505 663131766 /nfs/dbraw/zinc/13/17/66/663131766.db2.gz ROXKCAHHKMHJOB-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000910700506 663131963 /nfs/dbraw/zinc/13/19/63/663131963.db2.gz ROXKCAHHKMHJOB-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000910700506 663131965 /nfs/dbraw/zinc/13/19/65/663131965.db2.gz ROXKCAHHKMHJOB-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1(C)C ZINC000910737320 663132377 /nfs/dbraw/zinc/13/23/77/663132377.db2.gz NCGMYGFGIWYHEQ-QWHCGFSZSA-N 1 1 324.425 -1.184 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CO)(CO)CC1 ZINC000910773662 663133092 /nfs/dbraw/zinc/13/30/92/663133092.db2.gz FXENTKDERCKATD-LBPRGKRZSA-N 1 1 313.398 -1.210 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CO)(CO)CC1 ZINC000910773662 663133093 /nfs/dbraw/zinc/13/30/93/663133093.db2.gz FXENTKDERCKATD-LBPRGKRZSA-N 1 1 313.398 -1.210 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910927994 663134698 /nfs/dbraw/zinc/13/46/98/663134698.db2.gz XTOMKVHBFHMQIG-QWHCGFSZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910921002 663134848 /nfs/dbraw/zinc/13/48/48/663134848.db2.gz BYSKRHLSEMMUFM-RWMBFGLXSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC(=O)N1 ZINC000910905046 663134930 /nfs/dbraw/zinc/13/49/30/663134930.db2.gz AEYFHNFQLILSLG-ZIBATOQPSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(CCCO)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910927992 663134949 /nfs/dbraw/zinc/13/49/49/663134949.db2.gz XTOMKVHBFHMQIG-CHWSQXEVSA-N 1 1 313.398 -1.115 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910927939 663134979 /nfs/dbraw/zinc/13/49/79/663134979.db2.gz XCINUUHREYJTSD-VXGBXAGGSA-N 1 1 324.381 -1.998 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CNOC2)CCCO1 ZINC000910983577 663135142 /nfs/dbraw/zinc/13/51/42/663135142.db2.gz IBCXPPGAQIVDHS-NEPJUHHUSA-N 1 1 314.386 -1.377 20 0 DAADMO Cc1cn(C)nc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991293057 663135147 /nfs/dbraw/zinc/13/51/47/663135147.db2.gz ZBOPNAYJXGXEBS-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cn(C)nc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991293057 663135149 /nfs/dbraw/zinc/13/51/49/663135149.db2.gz ZBOPNAYJXGXEBS-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)C[C@H]1C[NH3+] ZINC000911031346 663135616 /nfs/dbraw/zinc/13/56/16/663135616.db2.gz POMUUQZIDNLGDW-UPJWGTAASA-N 1 1 311.430 -1.598 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000910994108 663135674 /nfs/dbraw/zinc/13/56/74/663135674.db2.gz VUAXCNXABIYUPM-RYUDHWBXSA-N 1 1 314.386 -1.521 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911032390 663135686 /nfs/dbraw/zinc/13/56/86/663135686.db2.gz UFBIFSXAVFARIA-ZENOOKHLSA-N 1 1 323.441 -1.312 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911032387 663135784 /nfs/dbraw/zinc/13/57/84/663135784.db2.gz UFBIFSXAVFARIA-IOASZLSFSA-N 1 1 323.441 -1.312 20 0 DAADMO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000911071927 663136756 /nfs/dbraw/zinc/13/67/56/663136756.db2.gz DLXWJZYSAUKNCQ-XHDPSFHLSA-N 1 1 310.398 -1.349 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911101500 663137025 /nfs/dbraw/zinc/13/70/25/663137025.db2.gz VUPIICXJFLQWGE-LBPRGKRZSA-N 1 1 313.402 -1.852 20 0 DAADMO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187283 663138096 /nfs/dbraw/zinc/13/80/96/663138096.db2.gz NYNWXUHSDXOIEE-JHJVBQTASA-N 1 1 312.414 -1.063 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911157403 663138236 /nfs/dbraw/zinc/13/82/36/663138236.db2.gz UYQMOHOURWPNBH-NEPJUHHUSA-N 1 1 300.403 -1.348 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911196321 663139898 /nfs/dbraw/zinc/13/98/98/663139898.db2.gz WNZYXMSMPDQCAG-MNOVXSKESA-N 1 1 300.359 -1.767 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CNOC1)CN1CC[NH+](C)CC1 ZINC000911269861 663140003 /nfs/dbraw/zinc/14/00/03/663140003.db2.gz PFWPSKXKMDGXLC-NEPJUHHUSA-N 1 1 313.402 -1.994 20 0 DAADMO C[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911271277 663140344 /nfs/dbraw/zinc/14/03/44/663140344.db2.gz ZUDFVXYTVHYMSP-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911282476 663141403 /nfs/dbraw/zinc/14/14/03/663141403.db2.gz QZZWKCUTDWZGRR-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911286968 663141933 /nfs/dbraw/zinc/14/19/33/663141933.db2.gz BHWNAINIRKLAHA-MELADBBJSA-N 1 1 324.425 -1.088 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)N1CCN[C@@H](C)C1)C[NH+](C)C ZINC000911433605 663144533 /nfs/dbraw/zinc/14/45/33/663144533.db2.gz BJTRXHQGDHQOLO-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC000991327050 663144832 /nfs/dbraw/zinc/14/48/32/663144832.db2.gz NDJMZEURGORSIY-LLVKDONJSA-N 1 1 322.365 -1.443 20 0 DAADMO O=C(N[C@H]1CNOC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911467650 663146203 /nfs/dbraw/zinc/14/62/03/663146203.db2.gz PAYUZDMITSYAHL-NSHDSACASA-N 1 1 312.370 -1.671 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911462289 663147028 /nfs/dbraw/zinc/14/70/28/663147028.db2.gz WVPYENNEZDOKMB-SNVBAGLBSA-N 1 1 300.359 -2.079 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911456773 663147227 /nfs/dbraw/zinc/14/72/27/663147227.db2.gz XNZSXLBCWPOOJF-LLVKDONJSA-N 1 1 314.386 -1.425 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000911507342 663148100 /nfs/dbraw/zinc/14/81/00/663148100.db2.gz VNOUSLHHGXSBGJ-RYUDHWBXSA-N 1 1 310.398 -1.349 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C[C@@H](O)C[NH2+]1 ZINC000911701528 663150287 /nfs/dbraw/zinc/15/02/87/663150287.db2.gz DEVLLCOGJMZSCM-WOSRLPQWSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C[C@@H](O)C[NH2+]1 ZINC000911701530 663150671 /nfs/dbraw/zinc/15/06/71/663150671.db2.gz DEVLLCOGJMZSCM-XJKCOSOUSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)NCC(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC000911860553 663151277 /nfs/dbraw/zinc/15/12/77/663151277.db2.gz XCFYKQVMSVYPFT-UHFFFAOYSA-N 1 1 302.375 -1.279 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884533 663152066 /nfs/dbraw/zinc/15/20/66/663152066.db2.gz RCKCFAFHQDAXDI-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000912394245 663153095 /nfs/dbraw/zinc/15/30/95/663153095.db2.gz DKNCJHUARFGYOW-DMDPSCGWSA-N 1 1 320.411 -1.239 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000912387861 663153261 /nfs/dbraw/zinc/15/32/61/663153261.db2.gz CLEPKTITCFJYDM-BNOWGMLFSA-N 1 1 302.371 -1.274 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000912387861 663153264 /nfs/dbraw/zinc/15/32/64/663153264.db2.gz CLEPKTITCFJYDM-BNOWGMLFSA-N 1 1 302.371 -1.274 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1nc2ccccn2c1=O ZINC000912607665 663153580 /nfs/dbraw/zinc/15/35/80/663153580.db2.gz ZJPRSQORPXLOEJ-UHFFFAOYSA-N 1 1 307.354 -1.122 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000912598142 663153631 /nfs/dbraw/zinc/15/36/31/663153631.db2.gz CKRFHHSYLFPSLI-UHFFFAOYSA-N 1 1 311.386 -1.236 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608786 663153940 /nfs/dbraw/zinc/15/39/40/663153940.db2.gz YARILJBATDXYLV-JQWIXIFHSA-N 1 1 301.387 -1.356 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000912610542 663154006 /nfs/dbraw/zinc/15/40/06/663154006.db2.gz IHUMPGJEKVGBCS-UHFFFAOYSA-N 1 1 322.369 -1.488 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000912599091 663154040 /nfs/dbraw/zinc/15/40/40/663154040.db2.gz IQPUMBZAYVIBTJ-STQMWFEESA-N 1 1 323.397 -1.201 20 0 DAADMO C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608785 663154080 /nfs/dbraw/zinc/15/40/80/663154080.db2.gz YARILJBATDXYLV-CMPLNLGQSA-N 1 1 301.387 -1.356 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000912677172 663154571 /nfs/dbraw/zinc/15/45/71/663154571.db2.gz NDOZWHKBUCTSIU-BZPMIXESSA-N 1 1 309.370 -1.039 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743213 663154742 /nfs/dbraw/zinc/15/47/42/663154742.db2.gz RJQRRCYDFPZTMD-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743213 663154746 /nfs/dbraw/zinc/15/47/46/663154746.db2.gz RJQRRCYDFPZTMD-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)[C@@H](CO)C1 ZINC000912737104 663154998 /nfs/dbraw/zinc/15/49/98/663154998.db2.gz GCIYISKNMWAXJV-SNVBAGLBSA-N 1 1 314.411 -1.382 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)[C@@H](CO)C1 ZINC000912737104 663155000 /nfs/dbraw/zinc/15/50/00/663155000.db2.gz GCIYISKNMWAXJV-SNVBAGLBSA-N 1 1 314.411 -1.382 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](CO)C1 ZINC000912748817 663155519 /nfs/dbraw/zinc/15/55/19/663155519.db2.gz HCDOCWTUYYRVPM-ABAIWWIYSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](CO)C1 ZINC000912748817 663155521 /nfs/dbraw/zinc/15/55/21/663155521.db2.gz HCDOCWTUYYRVPM-ABAIWWIYSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](CO)C1 ZINC000912748819 663155542 /nfs/dbraw/zinc/15/55/42/663155542.db2.gz HCDOCWTUYYRVPM-NHYWBVRUSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](CO)C1 ZINC000912748819 663155544 /nfs/dbraw/zinc/15/55/44/663155544.db2.gz HCDOCWTUYYRVPM-NHYWBVRUSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@H](CO)C1 ZINC000912750627 663155654 /nfs/dbraw/zinc/15/56/54/663155654.db2.gz HVTVUXAZHQYIMZ-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)[C@H](CO)C1 ZINC000912750627 663155656 /nfs/dbraw/zinc/15/56/56/663155656.db2.gz HVTVUXAZHQYIMZ-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO CC(C)N1CC[NH+](CCCC(=O)N2CC(O)(C(N)=O)C2)CC1 ZINC000913070617 663156039 /nfs/dbraw/zinc/15/60/39/663156039.db2.gz AEQSCKXEIWZRQY-UHFFFAOYSA-N 1 1 312.414 -1.149 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000913074342 663156115 /nfs/dbraw/zinc/15/61/15/663156115.db2.gz WEJQOMSMXXXZPT-CYBMUJFWSA-N 1 1 319.361 -1.054 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000913074342 663156117 /nfs/dbraw/zinc/15/61/17/663156117.db2.gz WEJQOMSMXXXZPT-CYBMUJFWSA-N 1 1 319.361 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2(CO)COCCN2)C1 ZINC000913196916 663156357 /nfs/dbraw/zinc/15/63/57/663156357.db2.gz VFRQIRYEWFHLQR-ZIAGYGMSSA-N 1 1 301.387 -1.700 20 0 DAADMO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189228 663156551 /nfs/dbraw/zinc/15/65/51/663156551.db2.gz SHNGMDHHTHXKOI-MFKMUULPSA-N 1 1 317.411 -1.235 20 0 DAADMO O=C(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)NCC(F)(F)F ZINC000913183801 663156601 /nfs/dbraw/zinc/15/66/01/663156601.db2.gz UVLFJGDGMKFOOH-SNVBAGLBSA-N 1 1 313.276 -1.478 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CNC(=O)c2ccccc21 ZINC000913196559 663156620 /nfs/dbraw/zinc/15/66/20/663156620.db2.gz PWGPOAPFBGASTG-BBRMVZONSA-N 1 1 319.361 -1.019 20 0 DAADMO CCC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913189227 663156623 /nfs/dbraw/zinc/15/66/23/663156623.db2.gz SHNGMDHHTHXKOI-GXFFZTMASA-N 1 1 317.411 -1.235 20 0 DAADMO O=C(CNC(=O)c1ccsc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913184729 663156640 /nfs/dbraw/zinc/15/66/40/663156640.db2.gz GHDVEQOSORHMGD-CYBMUJFWSA-N 1 1 313.379 -1.055 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@]12CCC(=O)N1CCS2 ZINC000913192048 663156724 /nfs/dbraw/zinc/15/67/24/663156724.db2.gz QLKDZOMUFVBDIU-QWHCGFSZSA-N 1 1 315.395 -1.481 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(CO)COCCN2)C1 ZINC000913196342 663156753 /nfs/dbraw/zinc/15/67/53/663156753.db2.gz MJSGCEDPYCIHCK-CQSZACIVSA-N 1 1 300.403 -2.053 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)C1 ZINC000913437418 663157662 /nfs/dbraw/zinc/15/76/62/663157662.db2.gz QJMOZBVVOMFCET-HZPDHXFCSA-N 1 1 322.409 -1.009 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547823 663158623 /nfs/dbraw/zinc/15/86/23/663158623.db2.gz XLGSVGUFGVPNEW-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547823 663158626 /nfs/dbraw/zinc/15/86/26/663158626.db2.gz XLGSVGUFGVPNEW-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)c1=O ZINC000991469074 663158856 /nfs/dbraw/zinc/15/88/56/663158856.db2.gz DDDJWNVPNXAWSM-YGRLFVJLSA-N 1 1 322.369 -1.820 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)c1=O ZINC000991469074 663158858 /nfs/dbraw/zinc/15/88/58/663158858.db2.gz DDDJWNVPNXAWSM-YGRLFVJLSA-N 1 1 322.369 -1.820 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)c1=O ZINC000991469070 663158978 /nfs/dbraw/zinc/15/89/78/663158978.db2.gz DDDJWNVPNXAWSM-IINYFYTJSA-N 1 1 322.369 -1.820 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)c1=O ZINC000991469070 663158979 /nfs/dbraw/zinc/15/89/79/663158979.db2.gz DDDJWNVPNXAWSM-IINYFYTJSA-N 1 1 322.369 -1.820 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000991484548 663159082 /nfs/dbraw/zinc/15/90/82/663159082.db2.gz JWWDZCZYDMOFCX-LBPRGKRZSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000991482619 663159134 /nfs/dbraw/zinc/15/91/34/663159134.db2.gz GKGDKHLHHQYJSL-NWDGAFQWSA-N 1 1 323.397 -1.132 20 0 DAADMO COCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC000991486254 663159168 /nfs/dbraw/zinc/15/91/68/663159168.db2.gz PVXKLXZQXUFKCL-NWDGAFQWSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1O ZINC000991485528 663159201 /nfs/dbraw/zinc/15/92/01/663159201.db2.gz OSYJMQBDEOTHLB-GHMZBOCLSA-N 1 1 323.353 -1.855 20 0 DAADMO COCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000991486256 663159285 /nfs/dbraw/zinc/15/92/85/663159285.db2.gz PVXKLXZQXUFKCL-RYUDHWBXSA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC000991483245 663159355 /nfs/dbraw/zinc/15/93/55/663159355.db2.gz LRHWBNLNWRWQEI-WDEREUQCSA-N 1 1 322.369 -1.408 20 0 DAADMO CN1CCN(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)CC1=O ZINC000991475624 663159395 /nfs/dbraw/zinc/15/93/95/663159395.db2.gz SWLYRGMWPZNWHZ-CJNGLKHVSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC000947323017 663160843 /nfs/dbraw/zinc/16/08/43/663160843.db2.gz GLVUUSZIVHOUMQ-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC000947324694 663161690 /nfs/dbraw/zinc/16/16/90/663161690.db2.gz UQUGDUVJCGNNSS-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC000947324694 663161692 /nfs/dbraw/zinc/16/16/92/663161692.db2.gz UQUGDUVJCGNNSS-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3cnn(C)c3N)CC2)n1 ZINC000991549514 663161891 /nfs/dbraw/zinc/16/18/91/663161891.db2.gz YRDKOILRFCRMFS-UHFFFAOYSA-N 1 1 319.373 -1.080 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC000947313799 663164835 /nfs/dbraw/zinc/16/48/35/663164835.db2.gz CKBCUTQFAAEWRA-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001011862101 663165772 /nfs/dbraw/zinc/16/57/72/663165772.db2.gz VXWLJYPIFJHGRN-PSASIEDQSA-N 1 1 323.353 -1.059 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCNC(=O)C2)C1 ZINC001030156563 663167441 /nfs/dbraw/zinc/16/74/41/663167441.db2.gz ZWYRJGZLTHMUMN-LBPRGKRZSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C1CC1 ZINC001030180871 663169317 /nfs/dbraw/zinc/16/93/17/663169317.db2.gz ZMGJYOFJRPUPAH-CYBMUJFWSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C1CC1 ZINC001030180871 663169323 /nfs/dbraw/zinc/16/93/23/663169323.db2.gz ZMGJYOFJRPUPAH-CYBMUJFWSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCN3CCCC3=O)C2)C1 ZINC001030180876 663169528 /nfs/dbraw/zinc/16/95/28/663169528.db2.gz ZNLXVVDEADSTSC-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCN3CCCC3=O)C2)C1 ZINC001030180876 663169529 /nfs/dbraw/zinc/16/95/29/663169529.db2.gz ZNLXVVDEADSTSC-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CCCn1nnnc1CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180254 663169728 /nfs/dbraw/zinc/16/97/28/663169728.db2.gz NBWVWQCXDDNFEX-LBPRGKRZSA-N 1 1 323.401 -1.286 20 0 DAADMO CCCn1nnnc1CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180254 663169730 /nfs/dbraw/zinc/16/97/30/663169730.db2.gz NBWVWQCXDDNFEX-LBPRGKRZSA-N 1 1 323.401 -1.286 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030182753 663169847 /nfs/dbraw/zinc/16/98/47/663169847.db2.gz NDYLKYKVEKNQCT-ONGXEEELSA-N 1 1 309.374 -1.598 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030182753 663169850 /nfs/dbraw/zinc/16/98/50/663169850.db2.gz NDYLKYKVEKNQCT-ONGXEEELSA-N 1 1 309.374 -1.598 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185141 663169876 /nfs/dbraw/zinc/16/98/76/663169876.db2.gz ZZLPOIQPLFXXQK-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185141 663169879 /nfs/dbraw/zinc/16/98/79/663169879.db2.gz ZZLPOIQPLFXXQK-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180177 663169907 /nfs/dbraw/zinc/16/99/07/663169907.db2.gz LVIOTPZLGJOUOK-GXFFZTMASA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180177 663169910 /nfs/dbraw/zinc/16/99/10/663169910.db2.gz LVIOTPZLGJOUOK-GXFFZTMASA-N 1 1 310.398 -1.216 20 0 DAADMO CN1CCC[C@H](N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030182107 663169922 /nfs/dbraw/zinc/16/99/22/663169922.db2.gz HXQQXMSSDWLQJS-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@H](N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030182107 663169924 /nfs/dbraw/zinc/16/99/24/663169924.db2.gz HXQQXMSSDWLQJS-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CN1CN=NC1=O)NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001030238457 663172269 /nfs/dbraw/zinc/17/22/69/663172269.db2.gz FQGNQLASNZADBT-JTQLQIEISA-N 1 1 322.369 -1.300 20 0 DAADMO O=C(CN1CN=NC1=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030238464 663172536 /nfs/dbraw/zinc/17/25/36/663172536.db2.gz FQGNQLASNZADBT-SNVBAGLBSA-N 1 1 322.369 -1.300 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)CC[N@H+]1C ZINC001030336705 663179562 /nfs/dbraw/zinc/17/95/62/663179562.db2.gz PWOMQYWVAGYYBR-JLLWLGSASA-N 1 1 308.382 -1.068 20 0 DAADMO O=C(NC1CN(CCn2cncn2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030346575 663180834 /nfs/dbraw/zinc/18/08/34/663180834.db2.gz CBQSAXZDPWLLBK-KGLIPLIRSA-N 1 1 320.397 -1.058 20 0 DAADMO Cn1ncc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001030346791 663180866 /nfs/dbraw/zinc/18/08/66/663180866.db2.gz DWQZLSHUGBUHHN-KBPBESRZSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001030348548 663180946 /nfs/dbraw/zinc/18/09/46/663180946.db2.gz USLUOFUGDFPNAB-NWDGAFQWSA-N 1 1 321.385 -1.626 20 0 DAADMO Cn1ncnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347777 663181058 /nfs/dbraw/zinc/18/10/58/663181058.db2.gz PCWRLWQDGUFNQT-CHWSQXEVSA-N 1 1 320.397 -1.021 20 0 DAADMO O=C(CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001030348207 663181156 /nfs/dbraw/zinc/18/11/56/663181156.db2.gz RUPDHPWCUFYDLV-ZIAGYGMSSA-N 1 1 322.409 -1.118 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC000991708678 663184020 /nfs/dbraw/zinc/18/40/20/663184020.db2.gz HZYLPMNOUPCQIJ-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000991711390 663184317 /nfs/dbraw/zinc/18/43/17/663184317.db2.gz DVWWENYZZVIOFZ-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1N ZINC000991713904 663184366 /nfs/dbraw/zinc/18/43/66/663184366.db2.gz WSKWHXKWHQVJIP-VIFPVBQESA-N 1 1 306.370 -1.105 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000991714444 663184985 /nfs/dbraw/zinc/18/49/85/663184985.db2.gz YHOCMPLACVUBHR-SECBINFHSA-N 1 1 304.354 -1.049 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000991714595 663184993 /nfs/dbraw/zinc/18/49/93/663184993.db2.gz ZYQNUABQSYWMQK-SECBINFHSA-N 1 1 322.365 -1.682 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991714574 663185145 /nfs/dbraw/zinc/18/51/45/663185145.db2.gz ZIVOAGWSLWWNBO-AAEUAGOBSA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000991716309 663185516 /nfs/dbraw/zinc/18/55/16/663185516.db2.gz CRLGCTDHZLRBKJ-BMIGLBTASA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000991721009 663186035 /nfs/dbraw/zinc/18/60/35/663186035.db2.gz BRSDCVRABKAGNW-NXEZZACHSA-N 1 1 322.365 -1.682 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000991720519 663186191 /nfs/dbraw/zinc/18/61/91/663186191.db2.gz APEMWTNNLYPPSK-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722542 663186494 /nfs/dbraw/zinc/18/64/94/663186494.db2.gz PIRCJRJQUKBUSU-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000991721433 663186634 /nfs/dbraw/zinc/18/66/34/663186634.db2.gz MWFCALIEUHHWEP-LLVKDONJSA-N 1 1 323.397 -2.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000991721447 663186771 /nfs/dbraw/zinc/18/67/71/663186771.db2.gz MWFCALIEUHHWEP-NSHDSACASA-N 1 1 323.397 -2.303 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000991724322 663187169 /nfs/dbraw/zinc/18/71/69/663187169.db2.gz UINFDCJYBCRRIH-QWRGUYRKSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N1CCOCC1 ZINC000991721811 663187266 /nfs/dbraw/zinc/18/72/66/663187266.db2.gz FFVVJSYMYCTOEG-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000991725081 663187772 /nfs/dbraw/zinc/18/77/72/663187772.db2.gz WDDWEPSDFXGQFV-PWSUYJOCSA-N 1 1 323.397 -1.192 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC000991725880 663187835 /nfs/dbraw/zinc/18/78/35/663187835.db2.gz GLDYRLNJUVYUKR-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000991727018 663188326 /nfs/dbraw/zinc/18/83/26/663188326.db2.gz KDQNNPARHGSJMW-BMIGLBTASA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000991729347 663188938 /nfs/dbraw/zinc/18/89/38/663188938.db2.gz AZTZEYWDENTIMA-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000991732584 663189952 /nfs/dbraw/zinc/18/99/52/663189952.db2.gz WDOCXBMJNMXSTN-BONVTDFDSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccc1=O ZINC000991733181 663190074 /nfs/dbraw/zinc/19/00/74/663190074.db2.gz XWAVOKOJAXYDHU-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCO)[C@H](C)C2)c(=O)n1C ZINC000947983529 663192075 /nfs/dbraw/zinc/19/20/75/663192075.db2.gz BPENNVTUSOGFCH-PWSUYJOCSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000991747609 663192505 /nfs/dbraw/zinc/19/25/05/663192505.db2.gz GHERRTLEHYADIC-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000991746608 663192647 /nfs/dbraw/zinc/19/26/47/663192647.db2.gz BZFLGMSKQIIGKZ-UHFFFAOYSA-N 1 1 316.321 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000991752687 663193446 /nfs/dbraw/zinc/19/34/46/663193446.db2.gz HZZPFMVHYNQCGY-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000991763273 663194140 /nfs/dbraw/zinc/19/41/40/663194140.db2.gz VYDGYZNJIDTHBA-MNOVXSKESA-N 1 1 305.338 -1.360 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000991757771 663194429 /nfs/dbraw/zinc/19/44/29/663194429.db2.gz WUYSNVWIADNTTP-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC000947986549 663195652 /nfs/dbraw/zinc/19/56/52/663195652.db2.gz YGRKNBCIIQLXEC-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)c(=O)n1C ZINC000947986549 663195655 /nfs/dbraw/zinc/19/56/55/663195655.db2.gz YGRKNBCIIQLXEC-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CCn3cncn3)C2)O1 ZINC001030516464 663199482 /nfs/dbraw/zinc/19/94/82/663199482.db2.gz GOSQTFAGUKTHSH-DGCLKSJQSA-N 1 1 308.386 -1.202 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CCn3cncn3)C2)O1 ZINC001030516464 663199483 /nfs/dbraw/zinc/19/94/83/663199483.db2.gz GOSQTFAGUKTHSH-DGCLKSJQSA-N 1 1 308.386 -1.202 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030533372 663200104 /nfs/dbraw/zinc/20/01/04/663200104.db2.gz LZWOLFSLSCONCT-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000938290873 663204081 /nfs/dbraw/zinc/20/40/81/663204081.db2.gz KERKWNWRYRVWLT-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC000991877237 663204092 /nfs/dbraw/zinc/20/40/92/663204092.db2.gz DHBGDIIVAUTRMB-UHFFFAOYSA-N 1 1 307.358 -1.516 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991878481 663204238 /nfs/dbraw/zinc/20/42/38/663204238.db2.gz GJXWPCZTBDMLJN-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991879558 663205600 /nfs/dbraw/zinc/20/56/00/663205600.db2.gz HGYMNIAWEFHCJU-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991879558 663205606 /nfs/dbraw/zinc/20/56/06/663205606.db2.gz HGYMNIAWEFHCJU-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991880829 663206115 /nfs/dbraw/zinc/20/61/15/663206115.db2.gz WFSBMUQVBQKIKQ-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCO ZINC000948010345 663208071 /nfs/dbraw/zinc/20/80/71/663208071.db2.gz ARHCRSNWBQKJKL-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000062127680 663208432 /nfs/dbraw/zinc/20/84/32/663208432.db2.gz COQAMKAFIKQUNI-UHFFFAOYSA-N 1 1 305.400 -1.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC000948017145 663208629 /nfs/dbraw/zinc/20/86/29/663208629.db2.gz TZJSXZFCIJGCDJ-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000913557123 663211358 /nfs/dbraw/zinc/21/13/58/663211358.db2.gz UGLKOCMVBZGRRA-QMAVJUDZSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C\C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000913557123 663211360 /nfs/dbraw/zinc/21/13/60/663211360.db2.gz UGLKOCMVBZGRRA-QMAVJUDZSA-N 1 1 322.365 -1.768 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1=O ZINC000913557079 663211615 /nfs/dbraw/zinc/21/16/15/663211615.db2.gz SGCGQTASTNQITR-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1=O ZINC000913557079 663211620 /nfs/dbraw/zinc/21/16/20/663211620.db2.gz SGCGQTASTNQITR-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000913557125 663211709 /nfs/dbraw/zinc/21/17/09/663211709.db2.gz UGLKOCMVBZGRRA-ZYOFXKKJSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC000913557125 663211710 /nfs/dbraw/zinc/21/17/10/663211710.db2.gz UGLKOCMVBZGRRA-ZYOFXKKJSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)ncc1=O ZINC000991930840 663211786 /nfs/dbraw/zinc/21/17/86/663211786.db2.gz IURGEGZIMZVBMW-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)ncc1=O ZINC000991930840 663211795 /nfs/dbraw/zinc/21/17/95/663211795.db2.gz IURGEGZIMZVBMW-IAQYHMDHSA-N 1 1 319.365 -1.008 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030683511 663211928 /nfs/dbraw/zinc/21/19/28/663211928.db2.gz MYSAPRAOLNRWLV-UHFFFAOYSA-N 1 1 305.342 -1.386 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001030684224 663212572 /nfs/dbraw/zinc/21/25/72/663212572.db2.gz QVNLLVNTISSVOY-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1CO ZINC000913558705 663212887 /nfs/dbraw/zinc/21/28/87/663212887.db2.gz VGGVZPSCHIXOAC-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CCCCS2(=O)=O)C[C@@H]1CO ZINC000913558705 663212889 /nfs/dbraw/zinc/21/28/89/663212889.db2.gz VGGVZPSCHIXOAC-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991941635 663213139 /nfs/dbraw/zinc/21/31/39/663213139.db2.gz ATRXPWVISOLDTK-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991941635 663213143 /nfs/dbraw/zinc/21/31/43/663213143.db2.gz ATRXPWVISOLDTK-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991948612 663213452 /nfs/dbraw/zinc/21/34/52/663213452.db2.gz FMSMNBUKKYLORL-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991948612 663213456 /nfs/dbraw/zinc/21/34/56/663213456.db2.gz FMSMNBUKKYLORL-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991948613 663213741 /nfs/dbraw/zinc/21/37/41/663213741.db2.gz FMSMNBUKKYLORL-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991948613 663213747 /nfs/dbraw/zinc/21/37/47/663213747.db2.gz FMSMNBUKKYLORL-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3nccn3)C2)CC[N@H+]1C ZINC000991951132 663214255 /nfs/dbraw/zinc/21/42/55/663214255.db2.gz UGEIGXZJMKJFAT-ZYHUDNBSSA-N 1 1 306.370 -1.055 20 0 DAADMO Cn1[nH]c(CN2CC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001038095003 663214829 /nfs/dbraw/zinc/21/48/29/663214829.db2.gz IRLMPHKCCGUTAN-WDEREUQCSA-N 1 1 308.386 -1.107 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC000991964683 663215290 /nfs/dbraw/zinc/21/52/90/663215290.db2.gz BQHBYJKIHVLCDL-VIFPVBQESA-N 1 1 309.330 -1.601 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705727 663215536 /nfs/dbraw/zinc/21/55/36/663215536.db2.gz IVWQRICKCHXJKL-YPPMETMDSA-N 1 1 322.409 -1.216 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705252 663215595 /nfs/dbraw/zinc/21/55/95/663215595.db2.gz RSVBMQQCQPYTMV-VRKVRWBGSA-N 1 1 322.409 -1.086 20 0 DAADMO Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991986594 663216160 /nfs/dbraw/zinc/21/61/60/663216160.db2.gz WGZDFIKWGWDCDX-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991986594 663216166 /nfs/dbraw/zinc/21/61/66/663216166.db2.gz WGZDFIKWGWDCDX-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cn1nnc(C(=O)NC2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000991991653 663216434 /nfs/dbraw/zinc/21/64/34/663216434.db2.gz UPTTULXICDQVBO-ILDUYXDCSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCS(C)(=O)=O)C[C@]2(C)C1 ZINC000929474879 663217482 /nfs/dbraw/zinc/21/74/82/663217482.db2.gz LGNWAMZPNHAJCH-MFKMUULPSA-N 1 1 317.411 -1.443 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCNC3=O)CCC[C@H]12 ZINC000992072263 663219305 /nfs/dbraw/zinc/21/93/05/663219305.db2.gz ODOPXFHHAGELDH-ZIBATOQPSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000992089018 663219746 /nfs/dbraw/zinc/21/97/46/663219746.db2.gz IZOZHYQMDQQXSN-IEBDPFPHSA-N 1 1 309.370 -1.665 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)CC[N@H+]1C ZINC000992087456 663220519 /nfs/dbraw/zinc/22/05/19/663220519.db2.gz AEJMLSCNYLNSFI-JLLWLGSASA-N 1 1 308.382 -1.068 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107580 663220534 /nfs/dbraw/zinc/22/05/34/663220534.db2.gz LQNZYOKWPYEYOI-NHYWBVRUSA-N 1 1 323.397 -1.983 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992107580 663220536 /nfs/dbraw/zinc/22/05/36/663220536.db2.gz LQNZYOKWPYEYOI-NHYWBVRUSA-N 1 1 323.397 -1.983 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107578 663220592 /nfs/dbraw/zinc/22/05/92/663220592.db2.gz LQNZYOKWPYEYOI-ABAIWWIYSA-N 1 1 323.397 -1.983 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992107578 663220595 /nfs/dbraw/zinc/22/05/95/663220595.db2.gz LQNZYOKWPYEYOI-ABAIWWIYSA-N 1 1 323.397 -1.983 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3COCCN3C)C2)CC[N@H+]1C ZINC000992087766 663220832 /nfs/dbraw/zinc/22/08/32/663220832.db2.gz QLYRPNOVVNHNSF-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992116966 663221175 /nfs/dbraw/zinc/22/11/75/663221175.db2.gz IDSKQQXWEBKCNJ-JRKPZEMJSA-N 1 1 307.358 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC000992116966 663221176 /nfs/dbraw/zinc/22/11/76/663221176.db2.gz IDSKQQXWEBKCNJ-JRKPZEMJSA-N 1 1 307.358 -1.189 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@H]1CCNC1=O ZINC001030792255 663223380 /nfs/dbraw/zinc/22/33/80/663223380.db2.gz JLLVZXOUZGNBMX-JQWIXIFHSA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCN1C(=O)CNC1=O)CC2 ZINC000992148868 663223712 /nfs/dbraw/zinc/22/37/12/663223712.db2.gz YYQRTSVAEFOBBZ-XPTSAGLGSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000992177843 663225391 /nfs/dbraw/zinc/22/53/91/663225391.db2.gz YEWAQJGNRFGYJH-XUJVJEKNSA-N 1 1 321.381 -1.158 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000992177829 663225523 /nfs/dbraw/zinc/22/55/23/663225523.db2.gz YEWAQJGNRFGYJH-HUBLWGQQSA-N 1 1 321.381 -1.158 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001030839575 663226434 /nfs/dbraw/zinc/22/64/34/663226434.db2.gz NWYHPHNHHSIUCT-OLZOCXBDSA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001030839575 663226439 /nfs/dbraw/zinc/22/64/39/663226439.db2.gz NWYHPHNHHSIUCT-OLZOCXBDSA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030837718 663226781 /nfs/dbraw/zinc/22/67/81/663226781.db2.gz SCEUFWODOHEKRA-GFCCVEGCSA-N 1 1 323.401 -1.380 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030837718 663226784 /nfs/dbraw/zinc/22/67/84/663226784.db2.gz SCEUFWODOHEKRA-GFCCVEGCSA-N 1 1 323.401 -1.380 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000948055657 663228577 /nfs/dbraw/zinc/22/85/77/663228577.db2.gz FETWLUNTAYYMMO-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@H]1CNC(=O)N1 ZINC001030878350 663230085 /nfs/dbraw/zinc/23/00/85/663230085.db2.gz NIXBCYYCHOJJCO-MWLCHTKSSA-N 1 1 309.370 -1.616 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992322724 663232042 /nfs/dbraw/zinc/23/20/42/663232042.db2.gz GWPCKAYWJPHDLI-MEBBXXQBSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C3CC(=O)NC(=O)C3)CCC[C@@H]12 ZINC000992322724 663232043 /nfs/dbraw/zinc/23/20/43/663232043.db2.gz GWPCKAYWJPHDLI-MEBBXXQBSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992313853 663232262 /nfs/dbraw/zinc/23/22/62/663232262.db2.gz BAYUPPURJIGXDB-OTYXRUKQSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CC(=O)NC3=O)CCC[C@@H]12 ZINC000992313853 663232267 /nfs/dbraw/zinc/23/22/67/663232267.db2.gz BAYUPPURJIGXDB-OTYXRUKQSA-N 1 1 323.353 -1.863 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992313843 663232372 /nfs/dbraw/zinc/23/23/72/663232372.db2.gz AUPVETJYZIDZKZ-YGRLFVJLSA-N 1 1 310.354 -1.356 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137260 663232777 /nfs/dbraw/zinc/23/27/77/663232777.db2.gz LMFCMTOXYPRVET-BDAKNGLRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137260 663232782 /nfs/dbraw/zinc/23/27/82/663232782.db2.gz LMFCMTOXYPRVET-BDAKNGLRSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137261 663233194 /nfs/dbraw/zinc/23/31/94/663233194.db2.gz LMFCMTOXYPRVET-DTWKUNHWSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137261 663233195 /nfs/dbraw/zinc/23/31/95/663233195.db2.gz LMFCMTOXYPRVET-DTWKUNHWSA-N 1 1 309.326 -1.987 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)ccc1=O ZINC000992457258 663235650 /nfs/dbraw/zinc/23/56/50/663235650.db2.gz UDHHEVSMIYSBJT-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)ccc1=O ZINC000992457258 663235651 /nfs/dbraw/zinc/23/56/51/663235651.db2.gz UDHHEVSMIYSBJT-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913684477 663235696 /nfs/dbraw/zinc/23/56/96/663235696.db2.gz XJADUHJKEGHENS-WFASDCNBSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000913684477 663235698 /nfs/dbraw/zinc/23/56/98/663235698.db2.gz XJADUHJKEGHENS-WFASDCNBSA-N 1 1 312.414 -1.326 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)C[C@H]2C1=O ZINC000913751281 663235905 /nfs/dbraw/zinc/23/59/05/663235905.db2.gz XDUIJMDPFFXQEL-RWSFTLGLSA-N 1 1 309.366 -1.094 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1=O ZINC000992462539 663235949 /nfs/dbraw/zinc/23/59/49/663235949.db2.gz HTCJWMOUPOJEJD-XHDPSFHLSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)C1=O ZINC000992462527 663236058 /nfs/dbraw/zinc/23/60/58/663236058.db2.gz HTCJWMOUPOJEJD-ABAIWWIYSA-N 1 1 324.381 -1.014 20 0 DAADMO Cc1nn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)c(=O)n1C ZINC000992462731 663236286 /nfs/dbraw/zinc/23/62/86/663236286.db2.gz ZVIHKXHENOZKQT-WFASDCNBSA-N 1 1 323.397 -1.004 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992478080 663236352 /nfs/dbraw/zinc/23/63/52/663236352.db2.gz SFRNONXWFRCHIV-QMTHXVAHSA-N 1 1 310.354 -1.356 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992478072 663236417 /nfs/dbraw/zinc/23/64/17/663236417.db2.gz SFRNONXWFRCHIV-HZMBPMFUSA-N 1 1 310.354 -1.356 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000913817111 663236898 /nfs/dbraw/zinc/23/68/98/663236898.db2.gz IREQSVHGXCVLBE-UHFFFAOYSA-N 1 1 313.402 -2.200 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)nn1 ZINC000992525263 663237408 /nfs/dbraw/zinc/23/74/08/663237408.db2.gz KNEGNAARJMUXSG-RISCZKNCSA-N 1 1 322.369 -1.518 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030955963 663238199 /nfs/dbraw/zinc/23/81/99/663238199.db2.gz QGAJHYAXOWBFAT-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000913915903 663238712 /nfs/dbraw/zinc/23/87/12/663238712.db2.gz SBLANKNWEMWLMS-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000913915903 663238720 /nfs/dbraw/zinc/23/87/20/663238720.db2.gz SBLANKNWEMWLMS-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030964867 663239067 /nfs/dbraw/zinc/23/90/67/663239067.db2.gz XEWBVNRBWIHCAL-CMPLNLGQSA-N 1 1 323.397 -1.464 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000992607517 663240880 /nfs/dbraw/zinc/24/08/80/663240880.db2.gz IYTSXCQBVLKAHF-SNVBAGLBSA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000992607517 663240883 /nfs/dbraw/zinc/24/08/83/663240883.db2.gz IYTSXCQBVLKAHF-SNVBAGLBSA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000992597156 663241094 /nfs/dbraw/zinc/24/10/94/663241094.db2.gz FUEWXXFSMKFMPK-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000992597156 663241096 /nfs/dbraw/zinc/24/10/96/663241096.db2.gz FUEWXXFSMKFMPK-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000992597028 663241181 /nfs/dbraw/zinc/24/11/81/663241181.db2.gz FABXWIXYCVMPRX-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000992597028 663241185 /nfs/dbraw/zinc/24/11/85/663241185.db2.gz FABXWIXYCVMPRX-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CCN1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000992599047 663241198 /nfs/dbraw/zinc/24/11/98/663241198.db2.gz LDTZHEMFWNKURP-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000992605389 663241368 /nfs/dbraw/zinc/24/13/68/663241368.db2.gz ATJTXTBRYWTUOB-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000992605389 663241372 /nfs/dbraw/zinc/24/13/72/663241372.db2.gz ATJTXTBRYWTUOB-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000992610637 663241839 /nfs/dbraw/zinc/24/18/39/663241839.db2.gz RNILLHCIUYYGSU-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000992610637 663241841 /nfs/dbraw/zinc/24/18/41/663241841.db2.gz RNILLHCIUYYGSU-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000992610639 663241874 /nfs/dbraw/zinc/24/18/74/663241874.db2.gz RNILLHCIUYYGSU-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000992610639 663241875 /nfs/dbraw/zinc/24/18/75/663241875.db2.gz RNILLHCIUYYGSU-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000992611333 663242014 /nfs/dbraw/zinc/24/20/14/663242014.db2.gz UNQHIUDWIGVXQI-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000992611333 663242019 /nfs/dbraw/zinc/24/20/19/663242019.db2.gz UNQHIUDWIGVXQI-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnon3)C2)C1 ZINC000992612504 663242311 /nfs/dbraw/zinc/24/23/11/663242311.db2.gz ZXACIYCPCBOOBA-NSHDSACASA-N 1 1 309.326 -1.269 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnon3)C2)C1 ZINC000992612504 663242312 /nfs/dbraw/zinc/24/23/12/663242312.db2.gz ZXACIYCPCBOOBA-NSHDSACASA-N 1 1 309.326 -1.269 20 0 DAADMO O=C(NC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031025997 663242595 /nfs/dbraw/zinc/24/25/95/663242595.db2.gz KXXLTKBGDSWPOV-ONGXEEELSA-N 1 1 310.354 -1.189 20 0 DAADMO CC[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1C[C@H](C)O ZINC000914196771 663243878 /nfs/dbraw/zinc/24/38/78/663243878.db2.gz FRSWSELTNDBSLT-WUHRBBMRSA-N 1 1 322.427 -1.147 20 0 DAADMO CC[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1C[C@H](C)O ZINC000914196771 663243881 /nfs/dbraw/zinc/24/38/81/663243881.db2.gz FRSWSELTNDBSLT-WUHRBBMRSA-N 1 1 322.427 -1.147 20 0 DAADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000914272473 663244337 /nfs/dbraw/zinc/24/43/37/663244337.db2.gz DAUCOMMWTHKPQI-GHMZBOCLSA-N 1 1 316.383 -1.368 20 0 DAADMO COC[C@H](C)[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001031040868 663244444 /nfs/dbraw/zinc/24/44/44/663244444.db2.gz RQXYIXPGFMWNOP-VIFPVBQESA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@H](F)CC[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001031042139 663244530 /nfs/dbraw/zinc/24/45/30/663244530.db2.gz LJUBVDRBNVMEDG-QMMMGPOBSA-N 1 1 314.317 -1.045 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000914393757 663245082 /nfs/dbraw/zinc/24/50/82/663245082.db2.gz ONASFEAKABFVTN-QWRGUYRKSA-N 1 1 317.415 -1.376 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1CC(C)(C)O ZINC000914412949 663245107 /nfs/dbraw/zinc/24/51/07/663245107.db2.gz HURSPBQMHLGBSS-IJLUTSLNSA-N 1 1 322.427 -1.147 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1CC(C)(C)O ZINC000914412949 663245111 /nfs/dbraw/zinc/24/51/11/663245111.db2.gz HURSPBQMHLGBSS-IJLUTSLNSA-N 1 1 322.427 -1.147 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1)OC ZINC001031042812 663245132 /nfs/dbraw/zinc/24/51/32/663245132.db2.gz ZXMDJKGEFBLDSA-LLVKDONJSA-N 1 1 324.381 -1.077 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000914393758 663245225 /nfs/dbraw/zinc/24/52/25/663245225.db2.gz ONASFEAKABFVTN-WDEREUQCSA-N 1 1 317.415 -1.376 20 0 DAADMO CNC(=O)[C@H](O)CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914431132 663245829 /nfs/dbraw/zinc/24/58/29/663245829.db2.gz XFOYVSXZGNHQMR-PWSUYJOCSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993011174 663247523 /nfs/dbraw/zinc/24/75/23/663247523.db2.gz HETJWPCQFMWSIC-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993011174 663247529 /nfs/dbraw/zinc/24/75/29/663247529.db2.gz HETJWPCQFMWSIC-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCn1cncn1 ZINC000993010564 663247760 /nfs/dbraw/zinc/24/77/60/663247760.db2.gz GORUDMZYQSIZJI-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502059 663249255 /nfs/dbraw/zinc/24/92/55/663249255.db2.gz DEAKHWSGMAVMOD-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502059 663249260 /nfs/dbraw/zinc/24/92/60/663249260.db2.gz DEAKHWSGMAVMOD-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502053 663249276 /nfs/dbraw/zinc/24/92/76/663249276.db2.gz DEAKHWSGMAVMOD-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502053 663249282 /nfs/dbraw/zinc/24/92/82/663249282.db2.gz DEAKHWSGMAVMOD-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015507898 663250071 /nfs/dbraw/zinc/25/00/71/663250071.db2.gz FUMXXKMDYOZSNK-MNOVXSKESA-N 1 1 309.370 -2.503 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015507898 663250079 /nfs/dbraw/zinc/25/00/79/663250079.db2.gz FUMXXKMDYOZSNK-MNOVXSKESA-N 1 1 309.370 -2.503 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508957 663250450 /nfs/dbraw/zinc/25/04/50/663250450.db2.gz IGCRNJVIXUSIRE-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508957 663250451 /nfs/dbraw/zinc/25/04/51/663250451.db2.gz IGCRNJVIXUSIRE-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015507899 663250567 /nfs/dbraw/zinc/25/05/67/663250567.db2.gz FUMXXKMDYOZSNK-QWRGUYRKSA-N 1 1 309.370 -2.503 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015507899 663250570 /nfs/dbraw/zinc/25/05/70/663250570.db2.gz FUMXXKMDYOZSNK-QWRGUYRKSA-N 1 1 309.370 -2.503 20 0 DAADMO COC(=O)NCCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000730842152 663252665 /nfs/dbraw/zinc/25/26/65/663252665.db2.gz XRMVAIBNPWIAFE-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000731834886 663255935 /nfs/dbraw/zinc/25/59/35/663255935.db2.gz GLKDXSKPTREGCR-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015638652 663258493 /nfs/dbraw/zinc/25/84/93/663258493.db2.gz ZRMSKMBQLJUDJZ-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1 ZINC000993342084 663261629 /nfs/dbraw/zinc/26/16/29/663261629.db2.gz JYBLLPNIDLFVQJ-HFAKWTLXSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993346088 663262519 /nfs/dbraw/zinc/26/25/19/663262519.db2.gz GCNQPFUYQYQLGZ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993346088 663262526 /nfs/dbraw/zinc/26/25/26/663262526.db2.gz GCNQPFUYQYQLGZ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993419082 663263771 /nfs/dbraw/zinc/26/37/71/663263771.db2.gz UHLGWKTYBGGDMV-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993419070 663263993 /nfs/dbraw/zinc/26/39/93/663263993.db2.gz UHLGWKTYBGGDMV-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031257967 663264143 /nfs/dbraw/zinc/26/41/43/663264143.db2.gz CCBIYSYYSDQEJP-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CCCO ZINC000993511017 663266395 /nfs/dbraw/zinc/26/63/95/663266395.db2.gz LYCFBAHRMIWENJ-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO O=C(NC1CN(C(=O)c2cnon2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993573992 663266941 /nfs/dbraw/zinc/26/69/41/663266941.db2.gz CPSJODNDZQFCNZ-CMPLNLGQSA-N 1 1 321.337 -1.127 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC000993512116 663267102 /nfs/dbraw/zinc/26/71/02/663267102.db2.gz NHYVIWDVNFOTOX-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC000993512116 663267105 /nfs/dbraw/zinc/26/71/05/663267105.db2.gz NHYVIWDVNFOTOX-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC000993512131 663267576 /nfs/dbraw/zinc/26/75/76/663267576.db2.gz NHYVIWDVNFOTOX-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC000993512131 663267580 /nfs/dbraw/zinc/26/75/80/663267580.db2.gz NHYVIWDVNFOTOX-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(NC1CN(C(=O)c2cn[nH]n2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993576682 663267690 /nfs/dbraw/zinc/26/76/90/663267690.db2.gz HPKGLXRCTUIVPX-CMPLNLGQSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@@H+]1CC(N)=O ZINC000993700136 663268727 /nfs/dbraw/zinc/26/87/27/663268727.db2.gz LILFTYKSFDUSQD-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CC(N)=O ZINC000993700136 663268729 /nfs/dbraw/zinc/26/87/29/663268729.db2.gz LILFTYKSFDUSQD-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1=O ZINC000993790245 663268752 /nfs/dbraw/zinc/26/87/52/663268752.db2.gz MNUVQBYYAXWPDO-JQWIXIFHSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CCCO ZINC000993698307 663269067 /nfs/dbraw/zinc/26/90/67/663269067.db2.gz HCPGNRRQXPVOES-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000993782660 663269971 /nfs/dbraw/zinc/26/99/71/663269971.db2.gz CDWUFMGVBFAONJ-JQWIXIFHSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000993782660 663269973 /nfs/dbraw/zinc/26/99/73/663269973.db2.gz CDWUFMGVBFAONJ-JQWIXIFHSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000993779873 663270170 /nfs/dbraw/zinc/27/01/70/663270170.db2.gz IVCXMNYOPLODTA-WDEREUQCSA-N 1 1 308.382 -1.257 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000993822894 663271242 /nfs/dbraw/zinc/27/12/42/663271242.db2.gz ZSPZKHVBVUMVFJ-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000993882184 663271375 /nfs/dbraw/zinc/27/13/75/663271375.db2.gz TZZJRUSRXKIWGK-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000993882880 663271424 /nfs/dbraw/zinc/27/14/24/663271424.db2.gz VQFJBMFJLCGZIG-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000993882877 663271480 /nfs/dbraw/zinc/27/14/80/663271480.db2.gz VQFJBMFJLCGZIG-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000993882182 663271625 /nfs/dbraw/zinc/27/16/25/663271625.db2.gz TZZJRUSRXKIWGK-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993907895 663271966 /nfs/dbraw/zinc/27/19/66/663271966.db2.gz UXRWKDNTDBJPSR-JQWIXIFHSA-N 1 1 324.381 -1.341 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993968650 663272012 /nfs/dbraw/zinc/27/20/12/663272012.db2.gz CFCZDVGMUQTHQX-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993968650 663272013 /nfs/dbraw/zinc/27/20/13/663272013.db2.gz CFCZDVGMUQTHQX-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000993870802 663272107 /nfs/dbraw/zinc/27/21/07/663272107.db2.gz AXQJHEGXSUBTPS-MXWKQRLJSA-N 1 1 312.370 -1.987 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000993870802 663272110 /nfs/dbraw/zinc/27/21/10/663272110.db2.gz AXQJHEGXSUBTPS-MXWKQRLJSA-N 1 1 312.370 -1.987 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993968652 663272299 /nfs/dbraw/zinc/27/22/99/663272299.db2.gz CFCZDVGMUQTHQX-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993968652 663272301 /nfs/dbraw/zinc/27/23/01/663272301.db2.gz CFCZDVGMUQTHQX-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCC[N@H+]1CCCO ZINC000994018595 663274251 /nfs/dbraw/zinc/27/42/51/663274251.db2.gz FXAAGRWRTDRGKQ-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000994064039 663275956 /nfs/dbraw/zinc/27/59/56/663275956.db2.gz RPLNVRDIYQRLOP-JTQLQIEISA-N 1 1 323.353 -1.305 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000994064039 663275961 /nfs/dbraw/zinc/27/59/61/663275961.db2.gz RPLNVRDIYQRLOP-JTQLQIEISA-N 1 1 323.353 -1.305 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCC(=O)NC2=O)CCC[N@H+]1CCO ZINC000994163248 663277693 /nfs/dbraw/zinc/27/76/93/663277693.db2.gz DQRKJZNTRIRNEW-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCOCC2=O)C1 ZINC000994218175 663277903 /nfs/dbraw/zinc/27/79/03/663277903.db2.gz XQFXLVWDMSFCSF-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CCC[N@H+]1CCO ZINC000994210199 663277922 /nfs/dbraw/zinc/27/79/22/663277922.db2.gz LJPBFZZGTIVMLC-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCC[N@H+]1CCO ZINC000994213741 663278360 /nfs/dbraw/zinc/27/83/60/663278360.db2.gz STNUVXUEHKBBBA-NXEZZACHSA-N 1 1 320.353 -1.007 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3COC[C@H]3O)[C@H]2C1 ZINC000915887462 663278979 /nfs/dbraw/zinc/27/89/79/663278979.db2.gz VUEASKFSDFFQMV-UMSGYPCISA-N 1 1 320.411 -1.129 20 0 DAADMO O=S(=O)(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1COC[C@H]1O ZINC000916014593 663279146 /nfs/dbraw/zinc/27/91/46/663279146.db2.gz FNZVIIKSKKOATF-QJPTWQEYSA-N 1 1 308.400 -1.488 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n(C)c1=O ZINC000994285735 663281816 /nfs/dbraw/zinc/28/18/16/663281816.db2.gz QHAORCMAMDBZGR-LLVKDONJSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@@H+]1CC(N)=O ZINC000994369284 663283478 /nfs/dbraw/zinc/28/34/78/663283478.db2.gz XKAOVICNTKAYIC-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CC(N)=O ZINC000994369284 663283482 /nfs/dbraw/zinc/28/34/82/663283482.db2.gz XKAOVICNTKAYIC-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994371593 663283587 /nfs/dbraw/zinc/28/35/87/663283587.db2.gz HCIAQEMMFBBGDG-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994371593 663283588 /nfs/dbraw/zinc/28/35/88/663283588.db2.gz HCIAQEMMFBBGDG-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000994410053 663285034 /nfs/dbraw/zinc/28/50/34/663285034.db2.gz HJQMTFHOQLLRNA-PSASIEDQSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000994410053 663285037 /nfs/dbraw/zinc/28/50/37/663285037.db2.gz HJQMTFHOQLLRNA-PSASIEDQSA-N 1 1 323.353 -1.446 20 0 DAADMO O=C(Cn1cncn1)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001031359154 663286070 /nfs/dbraw/zinc/28/60/70/663286070.db2.gz BBLCKUUMASFSSY-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO COCC(COC)S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917066033 663286336 /nfs/dbraw/zinc/28/63/36/663286336.db2.gz FHLGTGDPWZBGBQ-LBPRGKRZSA-N 1 1 321.443 -1.043 20 0 DAADMO COCC(COC)S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917066033 663286343 /nfs/dbraw/zinc/28/63/43/663286343.db2.gz FHLGTGDPWZBGBQ-LBPRGKRZSA-N 1 1 321.443 -1.043 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917062478 663286449 /nfs/dbraw/zinc/28/64/49/663286449.db2.gz WZISYJGFJLHBDA-RWMBFGLXSA-N 1 1 319.427 -1.291 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917062478 663286451 /nfs/dbraw/zinc/28/64/51/663286451.db2.gz WZISYJGFJLHBDA-RWMBFGLXSA-N 1 1 319.427 -1.291 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@@H+]2CCN1CCC2)N1CCOCC1 ZINC000917045473 663286557 /nfs/dbraw/zinc/28/65/57/663286557.db2.gz NTZIDNHSVBSOFA-GFCCVEGCSA-N 1 1 304.416 -1.457 20 0 DAADMO O=S(=O)(NC[C@@H]1C[N@H+]2CCN1CCC2)N1CCOCC1 ZINC000917045473 663286559 /nfs/dbraw/zinc/28/65/59/663286559.db2.gz NTZIDNHSVBSOFA-GFCCVEGCSA-N 1 1 304.416 -1.457 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCO ZINC000994491142 663287256 /nfs/dbraw/zinc/28/72/56/663287256.db2.gz XMUADLBVBMZGIA-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031363632 663287444 /nfs/dbraw/zinc/28/74/44/663287444.db2.gz MFWFUDYKCDHTAN-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994490600 663287563 /nfs/dbraw/zinc/28/75/63/663287563.db2.gz VZPOTBUPRWXGIN-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000994490599 663287701 /nfs/dbraw/zinc/28/77/01/663287701.db2.gz VZPOTBUPRWXGIN-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001031385867 663289052 /nfs/dbraw/zinc/28/90/52/663289052.db2.gz QQOVUARTWSTKTL-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO C[C@H]1CN(C(=O)CN2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCO1 ZINC001031385124 663289183 /nfs/dbraw/zinc/28/91/83/663289183.db2.gz VGKOEPQWYYGZTB-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031390057 663289527 /nfs/dbraw/zinc/28/95/27/663289527.db2.gz GPRGQPUHQORLMM-UHFFFAOYSA-N 1 1 305.342 -1.386 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1)OC ZINC001031403042 663290379 /nfs/dbraw/zinc/29/03/79/663290379.db2.gz VRUYTIFUWCAJPC-QWRGUYRKSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1)OC ZINC001031403043 663290586 /nfs/dbraw/zinc/29/05/86/663290586.db2.gz VRUYTIFUWCAJPC-WDEREUQCSA-N 1 1 305.400 -1.097 20 0 DAADMO O=C(NC1C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402378 663290615 /nfs/dbraw/zinc/29/06/15/663290615.db2.gz GAZODVRTBCZVEQ-CMPLNLGQSA-N 1 1 317.411 -1.095 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)C1 ZINC001031414243 663291489 /nfs/dbraw/zinc/29/14/89/663291489.db2.gz HIADQIIGYHXRRU-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H](C)C(=O)N(C)C)C2)C1 ZINC001031414243 663291493 /nfs/dbraw/zinc/29/14/93/663291493.db2.gz HIADQIIGYHXRRU-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001031420815 663292698 /nfs/dbraw/zinc/29/26/98/663292698.db2.gz SUVNSNFRWAQIJZ-NSHDSACASA-N 1 1 324.385 -1.871 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001031420815 663292701 /nfs/dbraw/zinc/29/27/01/663292701.db2.gz SUVNSNFRWAQIJZ-NSHDSACASA-N 1 1 324.385 -1.871 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3ncnn3C)C2)C1 ZINC001031418497 663292779 /nfs/dbraw/zinc/29/27/79/663292779.db2.gz KZXMRHITRIXHJJ-LBPRGKRZSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3ncnn3C)C2)C1 ZINC001031418497 663292782 /nfs/dbraw/zinc/29/27/82/663292782.db2.gz KZXMRHITRIXHJJ-LBPRGKRZSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001031420964 663292986 /nfs/dbraw/zinc/29/29/86/663292986.db2.gz XXKULILODVRGBP-LLVKDONJSA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001031420964 663292989 /nfs/dbraw/zinc/29/29/89/663292989.db2.gz XXKULILODVRGBP-LLVKDONJSA-N 1 1 309.374 -1.769 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)nn1 ZINC001031438784 663293869 /nfs/dbraw/zinc/29/38/69/663293869.db2.gz UCKFFKPSUPIWAQ-SNVBAGLBSA-N 1 1 322.369 -1.396 20 0 DAADMO C[N@@H+](CCNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000918171822 663295008 /nfs/dbraw/zinc/29/50/08/663295008.db2.gz ZRSFSLZSDXPVSX-LLVKDONJSA-N 1 1 317.415 -1.376 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001031527610 663297367 /nfs/dbraw/zinc/29/73/67/663297367.db2.gz HCQPWBJMXNNOEE-SNVBAGLBSA-N 1 1 309.322 -1.272 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3nccnc3N)C2)C1=O ZINC001031589947 663300695 /nfs/dbraw/zinc/30/06/95/663300695.db2.gz OZDIMYAFACOUBZ-JTQLQIEISA-N 1 1 304.354 -1.049 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCN2C(=O)CNC2=O)C1 ZINC001031584985 663300964 /nfs/dbraw/zinc/30/09/64/663300964.db2.gz NPSFXOWUPPAWIR-LBPRGKRZSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001031584323 663301103 /nfs/dbraw/zinc/30/11/03/663301103.db2.gz BQYFGVIHPNDJJJ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001031581996 663301250 /nfs/dbraw/zinc/30/12/50/663301250.db2.gz DKOWXOSHMVMGKR-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031593895 663301648 /nfs/dbraw/zinc/30/16/48/663301648.db2.gz MOURZBWZBKSHNO-ZDUSSCGKSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001031593895 663301656 /nfs/dbraw/zinc/30/16/56/663301656.db2.gz MOURZBWZBKSHNO-ZDUSSCGKSA-N 1 1 310.398 -1.403 20 0 DAADMO Cn1cc(CN2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001031594638 663301724 /nfs/dbraw/zinc/30/17/24/663301724.db2.gz HFHWZSCFLHUVOI-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1cc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001031594638 663301727 /nfs/dbraw/zinc/30/17/27/663301727.db2.gz HFHWZSCFLHUVOI-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1ncc(CN2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001031595571 663301967 /nfs/dbraw/zinc/30/19/67/663301967.db2.gz ZDBWOOLQWZNAPQ-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1ncc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001031595571 663301971 /nfs/dbraw/zinc/30/19/71/663301971.db2.gz ZDBWOOLQWZNAPQ-ZDUSSCGKSA-N 1 1 308.386 -1.306 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031594416 663302036 /nfs/dbraw/zinc/30/20/36/663302036.db2.gz DNJRUBOWZRODLN-GFCCVEGCSA-N 1 1 319.427 -1.590 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CCS(C)(=O)=O)C2)C1 ZINC001031594416 663302038 /nfs/dbraw/zinc/30/20/38/663302038.db2.gz DNJRUBOWZRODLN-GFCCVEGCSA-N 1 1 319.427 -1.590 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001031613849 663302409 /nfs/dbraw/zinc/30/24/09/663302409.db2.gz RXRBPMJPTDBKMD-QWRGUYRKSA-N 1 1 322.365 -1.634 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789105 663302419 /nfs/dbraw/zinc/30/24/19/663302419.db2.gz NFHJZDFLOVVXCB-GHMZBOCLSA-N 1 1 324.381 -1.077 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789118 663302475 /nfs/dbraw/zinc/30/24/75/663302475.db2.gz NFHJZDFLOVVXCB-QWRGUYRKSA-N 1 1 324.381 -1.077 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)c1 ZINC001031615548 663302603 /nfs/dbraw/zinc/30/26/03/663302603.db2.gz QMCPMVQJLDSMOR-UHFFFAOYSA-N 1 1 320.353 -1.367 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031625365 663303358 /nfs/dbraw/zinc/30/33/58/663303358.db2.gz XJHHOEAVLWEOCS-AAEUAGOBSA-N 1 1 312.414 -1.158 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031625295 663303393 /nfs/dbraw/zinc/30/33/93/663303393.db2.gz WFZJIDPWFWCCJM-STQMWFEESA-N 1 1 310.398 -1.404 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)c1N ZINC001031629270 663303686 /nfs/dbraw/zinc/30/36/86/663303686.db2.gz NZSJODVFFZQJOX-NSHDSACASA-N 1 1 306.370 -1.058 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)c1N ZINC001031629402 663303885 /nfs/dbraw/zinc/30/38/85/663303885.db2.gz UBDJRQWFDQUHCY-JTQLQIEISA-N 1 1 320.353 -1.531 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1cncnc1 ZINC001031630025 663304035 /nfs/dbraw/zinc/30/40/35/663304035.db2.gz VOFNQICIHGDRRD-LLVKDONJSA-N 1 1 303.322 -1.057 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1=O ZINC001031647571 663304479 /nfs/dbraw/zinc/30/44/79/663304479.db2.gz OBBIAWJOIRWSJA-WDEREUQCSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1nncc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031645601 663304680 /nfs/dbraw/zinc/30/46/80/663304680.db2.gz MINYEKHVABTLIL-VIFPVBQESA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1COC(=O)N1 ZINC001031646423 663304690 /nfs/dbraw/zinc/30/46/90/663304690.db2.gz CARSIBBRKXSBOP-RKDXNWHRSA-N 1 1 310.310 -2.052 20 0 DAADMO Cn1nncc1C(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001031646703 663304732 /nfs/dbraw/zinc/30/47/32/663304732.db2.gz FRJMOGWUMLUCEC-UHFFFAOYSA-N 1 1 320.353 -1.374 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1)N1CCCC1 ZINC001031643065 663304902 /nfs/dbraw/zinc/30/49/02/663304902.db2.gz JAHNQJZJWNFNTJ-LLVKDONJSA-N 1 1 310.354 -1.235 20 0 DAADMO Cn1nncc1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031645597 663305034 /nfs/dbraw/zinc/30/50/34/663305034.db2.gz MINYEKHVABTLIL-SECBINFHSA-N 1 1 306.326 -1.718 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1=O ZINC001031647567 663305095 /nfs/dbraw/zinc/30/50/95/663305095.db2.gz OBBIAWJOIRWSJA-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000920535632 663305485 /nfs/dbraw/zinc/30/54/85/663305485.db2.gz OOYCSHMGOPIOMZ-NSHDSACASA-N 1 1 305.400 -1.284 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031658252 663305625 /nfs/dbraw/zinc/30/56/25/663305625.db2.gz VOQCLPKYCNIYMW-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000920535630 663305729 /nfs/dbraw/zinc/30/57/29/663305729.db2.gz OOYCSHMGOPIOMZ-LLVKDONJSA-N 1 1 305.400 -1.284 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)n1 ZINC001031650246 663305776 /nfs/dbraw/zinc/30/57/76/663305776.db2.gz YVMCPVHSFGRHLX-UHFFFAOYSA-N 1 1 320.353 -1.374 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ncc[nH]1 ZINC001031657135 663305848 /nfs/dbraw/zinc/30/58/48/663305848.db2.gz PZYPXSMAEUDJFF-UHFFFAOYSA-N 1 1 306.326 -1.377 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)CCn2ccnc2)CC1 ZINC000920526954 663306348 /nfs/dbraw/zinc/30/63/48/663306348.db2.gz JQGOKAOPPJQSJA-UHFFFAOYSA-N 1 1 315.399 -1.424 20 0 DAADMO Cn1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)n1 ZINC000920526763 663306410 /nfs/dbraw/zinc/30/64/10/663306410.db2.gz IPPBYSLALYKRPC-UHFFFAOYSA-N 1 1 301.372 -1.528 20 0 DAADMO CC(=O)OCCCS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920535992 663306445 /nfs/dbraw/zinc/30/64/45/663306445.db2.gz XLWWBDGWYXABEG-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO C[C@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534046 663306629 /nfs/dbraw/zinc/30/66/29/663306629.db2.gz BJIBTSQLOIDWJJ-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CN1CCN(C(=O)CNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000920527757 663306698 /nfs/dbraw/zinc/30/66/98/663306698.db2.gz RUBZRSUTFZHHSU-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000994709632 663307536 /nfs/dbraw/zinc/30/75/36/663307536.db2.gz HIPUPOAMWFXHGN-ZDUSSCGKSA-N 1 1 322.369 -1.372 20 0 DAADMO CC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000994709632 663307540 /nfs/dbraw/zinc/30/75/40/663307540.db2.gz HIPUPOAMWFXHGN-ZDUSSCGKSA-N 1 1 322.369 -1.372 20 0 DAADMO CC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000994709628 663307802 /nfs/dbraw/zinc/30/78/02/663307802.db2.gz HIPUPOAMWFXHGN-CYBMUJFWSA-N 1 1 322.369 -1.372 20 0 DAADMO CC(=O)NCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000994709628 663307805 /nfs/dbraw/zinc/30/78/05/663307805.db2.gz HIPUPOAMWFXHGN-CYBMUJFWSA-N 1 1 322.369 -1.372 20 0 DAADMO CN(C)C(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689304 663307959 /nfs/dbraw/zinc/30/79/59/663307959.db2.gz SFOVGUWXNMPSTF-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC000948069353 663308251 /nfs/dbraw/zinc/30/82/51/663308251.db2.gz GEGHLJZLEHBUOJ-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1=O ZINC001031711754 663310895 /nfs/dbraw/zinc/31/08/95/663310895.db2.gz KEHLNXRAWUFUGU-GHMZBOCLSA-N 1 1 322.365 -1.682 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC(=O)N(C)C3)C2)C1=O ZINC001031712917 663311522 /nfs/dbraw/zinc/31/15/22/663311522.db2.gz LABDPXVCNGPPQG-RYUDHWBXSA-N 1 1 308.382 -1.257 20 0 DAADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000233720439 663312512 /nfs/dbraw/zinc/31/25/12/663312512.db2.gz NKQCAKIMNAAYJF-GHMZBOCLSA-N 1 1 321.399 -1.163 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000938316461 663313410 /nfs/dbraw/zinc/31/34/10/663313410.db2.gz DYCRLAVJVDASTA-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000938395850 663315496 /nfs/dbraw/zinc/31/54/96/663315496.db2.gz QREIBCQYAJMIFY-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000938395850 663315501 /nfs/dbraw/zinc/31/55/01/663315501.db2.gz QREIBCQYAJMIFY-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000938409811 663316999 /nfs/dbraw/zinc/31/69/99/663316999.db2.gz WOORSLMWIJFGGC-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000938463707 663318270 /nfs/dbraw/zinc/31/82/70/663318270.db2.gz MMIZNPRUGSCUGB-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938464223 663318437 /nfs/dbraw/zinc/31/84/37/663318437.db2.gz UUSYVZVRLXVLOM-SRVKXCTJSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000938464224 663318551 /nfs/dbraw/zinc/31/85/51/663318551.db2.gz UUSYVZVRLXVLOM-TUAOUCFPSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938539599 663323088 /nfs/dbraw/zinc/32/30/88/663323088.db2.gz KTTBLJOHIGIKAN-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)O1 ZINC000994848314 663327473 /nfs/dbraw/zinc/32/74/73/663327473.db2.gz SGAGCFVOJZQZEM-MWLCHTKSSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)O1 ZINC000994848314 663327476 /nfs/dbraw/zinc/32/74/76/663327476.db2.gz SGAGCFVOJZQZEM-MWLCHTKSSA-N 1 1 324.381 -1.702 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000938575127 663327667 /nfs/dbraw/zinc/32/76/67/663327667.db2.gz VQOHLRKEMGAJQF-QWRGUYRKSA-N 1 1 320.353 -1.410 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001031739789 663328827 /nfs/dbraw/zinc/32/88/27/663328827.db2.gz DZMUQXWKTRVKAX-GFCCVEGCSA-N 1 1 319.365 -1.327 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001031739790 663328887 /nfs/dbraw/zinc/32/88/87/663328887.db2.gz DZMUQXWKTRVKAX-LBPRGKRZSA-N 1 1 319.365 -1.327 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031739689 663329017 /nfs/dbraw/zinc/32/90/17/663329017.db2.gz AAHKCFKQTXGGDR-LLVKDONJSA-N 1 1 307.354 -1.294 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938589665 663330388 /nfs/dbraw/zinc/33/03/88/663330388.db2.gz MPKBHFSUMGLWQO-WDEREUQCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938589665 663330393 /nfs/dbraw/zinc/33/03/93/663330393.db2.gz MPKBHFSUMGLWQO-WDEREUQCSA-N 1 1 312.370 -1.702 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031740163 663330475 /nfs/dbraw/zinc/33/04/75/663330475.db2.gz RCMGOCQXBJFYJT-VIFPVBQESA-N 1 1 307.354 -1.424 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)NC1=O ZINC001038588652 663331284 /nfs/dbraw/zinc/33/12/84/663331284.db2.gz VEDOWPNPSNHJIN-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)NC1=O ZINC001038588652 663331289 /nfs/dbraw/zinc/33/12/89/663331289.db2.gz VEDOWPNPSNHJIN-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)NC1=O ZINC001038588657 663331891 /nfs/dbraw/zinc/33/18/91/663331891.db2.gz VEDOWPNPSNHJIN-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)NC1=O ZINC001038588657 663331893 /nfs/dbraw/zinc/33/18/93/663331893.db2.gz VEDOWPNPSNHJIN-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)O1 ZINC000938769518 663333779 /nfs/dbraw/zinc/33/37/79/663333779.db2.gz YWJKDEVPJPCINZ-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)O1 ZINC000938769518 663333783 /nfs/dbraw/zinc/33/37/83/663333783.db2.gz YWJKDEVPJPCINZ-OUAUKWLOSA-N 1 1 312.370 -1.750 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000938794956 663334225 /nfs/dbraw/zinc/33/42/25/663334225.db2.gz WLHJTFJJVHSATP-SECBINFHSA-N 1 1 323.353 -1.106 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)C2 ZINC000938828641 663334699 /nfs/dbraw/zinc/33/46/99/663334699.db2.gz YTWWLJVILNUIGO-QWRGUYRKSA-N 1 1 319.365 -1.044 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000938869309 663336350 /nfs/dbraw/zinc/33/63/50/663336350.db2.gz CRLWIJRLBCTIPC-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)C1=O ZINC001031748240 663337657 /nfs/dbraw/zinc/33/76/57/663337657.db2.gz YQSSPEVDZOLGJM-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001031754413 663338278 /nfs/dbraw/zinc/33/82/78/663338278.db2.gz CCPBAGHQZIDHLJ-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001031750760 663338393 /nfs/dbraw/zinc/33/83/93/663338393.db2.gz HAEMCUDFNWSCIW-JTQLQIEISA-N 1 1 319.321 -1.351 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)O1 ZINC001031768236 663340629 /nfs/dbraw/zinc/34/06/29/663340629.db2.gz AUZJJFLWRRAMIK-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(Cc3nnn(C)n3)C2)O1 ZINC001031768236 663340631 /nfs/dbraw/zinc/34/06/31/663340631.db2.gz AUZJJFLWRRAMIK-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)O1 ZINC001031766032 663341039 /nfs/dbraw/zinc/34/10/39/663341039.db2.gz ZLDITNAHZYUFMU-RAIGVLPGSA-N 1 1 310.398 -1.358 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)O1 ZINC001031766032 663341043 /nfs/dbraw/zinc/34/10/43/663341043.db2.gz ZLDITNAHZYUFMU-RAIGVLPGSA-N 1 1 310.398 -1.358 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082910 663342267 /nfs/dbraw/zinc/34/22/67/663342267.db2.gz WOXSDKZRABBSEZ-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000939082910 663342273 /nfs/dbraw/zinc/34/22/73/663342273.db2.gz WOXSDKZRABBSEZ-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939130759 663343867 /nfs/dbraw/zinc/34/38/67/663343867.db2.gz DNTPKANJTYAUJU-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001031796680 663345079 /nfs/dbraw/zinc/34/50/79/663345079.db2.gz SAJLGRLQOKAMOF-WCQYABFASA-N 1 1 312.414 -1.110 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001031796681 663345289 /nfs/dbraw/zinc/34/52/89/663345289.db2.gz SAJLGRLQOKAMOF-YPMHNXCESA-N 1 1 312.414 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001031796575 663345319 /nfs/dbraw/zinc/34/53/19/663345319.db2.gz PFCSKYLOULNYKQ-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)C1=O ZINC001031803977 663345504 /nfs/dbraw/zinc/34/55/04/663345504.db2.gz PXYOOMZGYLIUTK-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001031802694 663346121 /nfs/dbraw/zinc/34/61/21/663346121.db2.gz PXNJSQIWBAKMCA-VXGBXAGGSA-N 1 1 308.382 -1.161 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000069379096 663346633 /nfs/dbraw/zinc/34/66/33/663346633.db2.gz GGCJKQYSFFTTLO-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC000939310537 663348765 /nfs/dbraw/zinc/34/87/65/663348765.db2.gz YGQKNBWDJWKCSH-PSASIEDQSA-N 1 1 305.346 -1.411 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329991 663349090 /nfs/dbraw/zinc/34/90/90/663349090.db2.gz YGMZONNXZIBJNB-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329991 663349094 /nfs/dbraw/zinc/34/90/94/663349094.db2.gz YGMZONNXZIBJNB-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939335612 663350432 /nfs/dbraw/zinc/35/04/32/663350432.db2.gz LNRHQBQCWYJGJW-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939339676 663350907 /nfs/dbraw/zinc/35/09/07/663350907.db2.gz NBRQATCCRNZPOX-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031817226 663351003 /nfs/dbraw/zinc/35/10/03/663351003.db2.gz VAJPODCSHOKPPL-NSHDSACASA-N 1 1 319.365 -1.326 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000994938650 663353742 /nfs/dbraw/zinc/35/37/42/663353742.db2.gz DPGSQYSUEQGAMV-NWDGAFQWSA-N 1 1 323.397 -1.049 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000994938652 663353879 /nfs/dbraw/zinc/35/38/79/663353879.db2.gz DPGSQYSUEQGAMV-RYUDHWBXSA-N 1 1 323.397 -1.049 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383459 663354576 /nfs/dbraw/zinc/35/45/76/663354576.db2.gz LXDPQCMSWZIGEU-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383459 663354577 /nfs/dbraw/zinc/35/45/77/663354577.db2.gz LXDPQCMSWZIGEU-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383456 663354621 /nfs/dbraw/zinc/35/46/21/663354621.db2.gz LXDPQCMSWZIGEU-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939383456 663354624 /nfs/dbraw/zinc/35/46/24/663354624.db2.gz LXDPQCMSWZIGEU-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000939388700 663354830 /nfs/dbraw/zinc/35/48/30/663354830.db2.gz NAIOGEIEUYHTQV-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC000994942992 663355286 /nfs/dbraw/zinc/35/52/86/663355286.db2.gz ATAXXOKFGMZBQP-PWSUYJOCSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1ncnn1C ZINC000939398963 663355602 /nfs/dbraw/zinc/35/56/02/663355602.db2.gz UKYJQZKQEQUVNA-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1[NH2+]Cc1nncn1C ZINC000939394844 663355631 /nfs/dbraw/zinc/35/56/31/663355631.db2.gz CZGDPYUPVBJJDB-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000939742673 663363649 /nfs/dbraw/zinc/36/36/49/663363649.db2.gz HLOATOOTRTYXMX-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000939751683 663363753 /nfs/dbraw/zinc/36/37/53/663363753.db2.gz YGBNVIWOKWMXQI-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000939866663 663365408 /nfs/dbraw/zinc/36/54/08/663365408.db2.gz LLEZHEXSWKTOQM-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000939866663 663365409 /nfs/dbraw/zinc/36/54/09/663365409.db2.gz LLEZHEXSWKTOQM-VXGBXAGGSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000939866647 663365636 /nfs/dbraw/zinc/36/56/36/663365636.db2.gz KXQKJDXXIRVTSG-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000939866647 663365638 /nfs/dbraw/zinc/36/56/38/663365638.db2.gz KXQKJDXXIRVTSG-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000939863708 663365817 /nfs/dbraw/zinc/36/58/17/663365817.db2.gz JUOAPDNNSAREEL-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000939863708 663365820 /nfs/dbraw/zinc/36/58/20/663365820.db2.gz JUOAPDNNSAREEL-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939870925 663365827 /nfs/dbraw/zinc/36/58/27/663365827.db2.gz BIDOAMNCPVTZFM-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939870925 663365833 /nfs/dbraw/zinc/36/58/33/663365833.db2.gz BIDOAMNCPVTZFM-ZJUUUORDSA-N 1 1 323.357 -2.129 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031859997 663366200 /nfs/dbraw/zinc/36/62/00/663366200.db2.gz GDEAKTWITKJWIA-VIFPVBQESA-N 1 1 307.354 -1.424 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000940274202 663371683 /nfs/dbraw/zinc/37/16/83/663371683.db2.gz MMVQIUFFJOAMRY-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000940274202 663371685 /nfs/dbraw/zinc/37/16/85/663371685.db2.gz MMVQIUFFJOAMRY-GHMZBOCLSA-N 1 1 322.369 -1.524 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031892149 663373774 /nfs/dbraw/zinc/37/37/74/663373774.db2.gz OLQJAMSULSQYLX-SECBINFHSA-N 1 1 306.326 -1.420 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000995081729 663374262 /nfs/dbraw/zinc/37/42/62/663374262.db2.gz POZHPMOZCUVXLP-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000940509740 663374359 /nfs/dbraw/zinc/37/43/59/663374359.db2.gz LEFAPEBDLIOPOQ-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000995080707 663374657 /nfs/dbraw/zinc/37/46/57/663374657.db2.gz HGZTXPIXIXHXJL-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000995082308 663375108 /nfs/dbraw/zinc/37/51/08/663375108.db2.gz BNHDQWUJDDVEMU-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940560146 663375475 /nfs/dbraw/zinc/37/54/75/663375475.db2.gz LMVWVCDGBAXFPF-UWVGGRQHSA-N 1 1 309.374 -1.236 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000940559729 663375496 /nfs/dbraw/zinc/37/54/96/663375496.db2.gz HNBLHOCNERSIQU-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000995085519 663375954 /nfs/dbraw/zinc/37/59/54/663375954.db2.gz OIYPUKKHQQHTIK-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC001031898370 663376052 /nfs/dbraw/zinc/37/60/52/663376052.db2.gz IEBJLAODVZIKOZ-NSHDSACASA-N 1 1 322.365 -1.681 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000995085819 663376140 /nfs/dbraw/zinc/37/61/40/663376140.db2.gz RZZIKPWHRGKJAP-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000995085822 663376277 /nfs/dbraw/zinc/37/62/77/663376277.db2.gz RZZIKPWHRGKJAP-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940605764 663376594 /nfs/dbraw/zinc/37/65/94/663376594.db2.gz ZPQQCEUHEUKBJL-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940612608 663377020 /nfs/dbraw/zinc/37/70/20/663377020.db2.gz WPTNLNRATSEKRO-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031900994 663377330 /nfs/dbraw/zinc/37/73/30/663377330.db2.gz IVMGRLVHEDAGDS-MNOVXSKESA-N 1 1 309.370 -1.711 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995086922 663377430 /nfs/dbraw/zinc/37/74/30/663377430.db2.gz RPLBZJBTQGSQEZ-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000995086924 663377784 /nfs/dbraw/zinc/37/77/84/663377784.db2.gz RPLBZJBTQGSQEZ-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1=O ZINC001031900350 663377792 /nfs/dbraw/zinc/37/77/92/663377792.db2.gz OUXJUNIDHMZCRQ-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)NC1=O ZINC001031903070 663378905 /nfs/dbraw/zinc/37/89/05/663378905.db2.gz UAAYCMOQPZGDIK-RYUDHWBXSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)NC1=O ZINC001031902796 663378995 /nfs/dbraw/zinc/37/89/95/663378995.db2.gz QZYKBZJVUFQBFL-ZJUUUORDSA-N 1 1 323.353 -2.137 20 0 DAADMO Cc1nc(C)n(CC[NH+]2CC(CNC(=O)c3nnn(C)n3)C2)n1 ZINC001031904404 663379257 /nfs/dbraw/zinc/37/92/57/663379257.db2.gz AGBLSXCQNCBTRH-UHFFFAOYSA-N 1 1 319.373 -1.220 20 0 DAADMO Cn1nnc(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)n1 ZINC001031904457 663379396 /nfs/dbraw/zinc/37/93/96/663379396.db2.gz CKUNFXAZADJUDS-JTQLQIEISA-N 1 1 307.358 -1.508 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000940746655 663379858 /nfs/dbraw/zinc/37/98/58/663379858.db2.gz AZCZQGRXOUCYHI-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000940755742 663379880 /nfs/dbraw/zinc/37/98/80/663379880.db2.gz SEHJBWPQGRDZAU-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000940753442 663379921 /nfs/dbraw/zinc/37/99/21/663379921.db2.gz LWMAXDIVJSVYAO-SNVBAGLBSA-N 1 1 324.385 -1.414 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000940746654 663380198 /nfs/dbraw/zinc/38/01/98/663380198.db2.gz AZCZQGRXOUCYHI-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031913098 663380451 /nfs/dbraw/zinc/38/04/51/663380451.db2.gz SVFPLBIUJRZFLK-ZYHUDNBSSA-N 1 1 310.398 -1.011 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031913085 663380495 /nfs/dbraw/zinc/38/04/95/663380495.db2.gz SMXRWZUAKSIBDT-XZUYRWCXSA-N 1 1 307.350 -1.268 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000940806787 663380771 /nfs/dbraw/zinc/38/07/71/663380771.db2.gz AOBIVIJKUGBULE-UWVGGRQHSA-N 1 1 312.370 -1.207 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964919 663382284 /nfs/dbraw/zinc/38/22/84/663382284.db2.gz DKAJEEXMLFWYME-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964919 663382287 /nfs/dbraw/zinc/38/22/87/663382287.db2.gz DKAJEEXMLFWYME-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964922 663382375 /nfs/dbraw/zinc/38/23/75/663382375.db2.gz DKAJEEXMLFWYME-ZJUUUORDSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)CC2(C)C)n1 ZINC000940964922 663382377 /nfs/dbraw/zinc/38/23/77/663382377.db2.gz DKAJEEXMLFWYME-ZJUUUORDSA-N 1 1 321.385 -1.071 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943681 663382581 /nfs/dbraw/zinc/38/25/81/663382581.db2.gz MMSYSFXCZXUMDF-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943681 663382585 /nfs/dbraw/zinc/38/25/85/663382585.db2.gz MMSYSFXCZXUMDF-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000940997183 663382751 /nfs/dbraw/zinc/38/27/51/663382751.db2.gz PWXHMYMPMBYVPW-RKDXNWHRSA-N 1 1 310.354 -1.506 20 0 DAADMO CC1(C)C[N@@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000940997657 663382933 /nfs/dbraw/zinc/38/29/33/663382933.db2.gz YKRRJVIQIYQNLM-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)CC[C@@H]1NC(=O)C(N)=O ZINC000941000634 663382953 /nfs/dbraw/zinc/38/29/53/663382953.db2.gz UTGSDFTZXCKESZ-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031918737 663382957 /nfs/dbraw/zinc/38/29/57/663382957.db2.gz UBGRRIWQYSQGOW-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000941000815 663383071 /nfs/dbraw/zinc/38/30/71/663383071.db2.gz AQAFTNPBGPVBFP-ZJUUUORDSA-N 1 1 305.338 -1.037 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)CC[C@H]1NC(=O)C(N)=O ZINC000941000632 663383163 /nfs/dbraw/zinc/38/31/63/663383163.db2.gz UTGSDFTZXCKESZ-NWDGAFQWSA-N 1 1 323.397 -1.054 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920166 663383691 /nfs/dbraw/zinc/38/36/91/663383691.db2.gz USEVSMDBTICLQD-CYBMUJFWSA-N 1 1 312.414 -1.110 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000941098218 663384268 /nfs/dbraw/zinc/38/42/68/663384268.db2.gz XIXVLVHLFQWZOD-JTQLQIEISA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000941098218 663384271 /nfs/dbraw/zinc/38/42/71/663384271.db2.gz XIXVLVHLFQWZOD-JTQLQIEISA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001031933933 663385841 /nfs/dbraw/zinc/38/58/41/663385841.db2.gz SKRTUUOBHDXYPB-LLVKDONJSA-N 1 1 305.338 -1.290 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001031934207 663385931 /nfs/dbraw/zinc/38/59/31/663385931.db2.gz FFDFBFXJWGQLLN-LLVKDONJSA-N 1 1 305.338 -1.338 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000941256559 663386308 /nfs/dbraw/zinc/38/63/08/663386308.db2.gz ZFWZJCJMAVPRNM-NXEZZACHSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000941256559 663386309 /nfs/dbraw/zinc/38/63/09/663386309.db2.gz ZFWZJCJMAVPRNM-NXEZZACHSA-N 1 1 324.381 -1.259 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000941239250 663386320 /nfs/dbraw/zinc/38/63/20/663386320.db2.gz ZIUHMCFBLAYZAG-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000941239250 663386323 /nfs/dbraw/zinc/38/63/23/663386323.db2.gz ZIUHMCFBLAYZAG-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CC(=O)N1CCN(C2C[NH+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC000941263313 663386382 /nfs/dbraw/zinc/38/63/82/663386382.db2.gz HHSGKWIMKKTUBH-UHFFFAOYSA-N 1 1 323.397 -1.223 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000941239251 663386522 /nfs/dbraw/zinc/38/65/22/663386522.db2.gz ZIUHMCFBLAYZAG-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000941239251 663386523 /nfs/dbraw/zinc/38/65/23/663386523.db2.gz ZIUHMCFBLAYZAG-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)O1 ZINC000941278678 663386688 /nfs/dbraw/zinc/38/66/88/663386688.db2.gz VFQRXZVGUNPIGD-CKYFFXLPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)O1 ZINC000941278678 663386690 /nfs/dbraw/zinc/38/66/90/663386690.db2.gz VFQRXZVGUNPIGD-CKYFFXLPSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)O1 ZINC000941273754 663387016 /nfs/dbraw/zinc/38/70/16/663387016.db2.gz OSCJJQZMUKIVRL-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)O1 ZINC000941273754 663387019 /nfs/dbraw/zinc/38/70/19/663387019.db2.gz OSCJJQZMUKIVRL-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO NC(=O)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000941290099 663387331 /nfs/dbraw/zinc/38/73/31/663387331.db2.gz CFNHWVGJPAYLQQ-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO O=C(c1cc[n+]([O-])cc1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941296820 663387489 /nfs/dbraw/zinc/38/74/89/663387489.db2.gz TZRUZVNSCKWZRK-UHFFFAOYSA-N 1 1 306.366 -1.246 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001031941641 663388687 /nfs/dbraw/zinc/38/86/87/663388687.db2.gz FVUXZPGBCGNDOJ-LLVKDONJSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031942248 663388963 /nfs/dbraw/zinc/38/89/63/663388963.db2.gz LFPPZXKNUFIEFJ-SNVBAGLBSA-N 1 1 323.353 -2.135 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942886 663389172 /nfs/dbraw/zinc/38/91/72/663389172.db2.gz UWZZWYYEPHKUCB-LDYMZIIASA-N 1 1 309.370 -1.617 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031942924 663389310 /nfs/dbraw/zinc/38/93/10/663389310.db2.gz VHZADMRFFHLEQN-DTWKUNHWSA-N 1 1 309.326 -2.479 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031943240 663389883 /nfs/dbraw/zinc/38/98/83/663389883.db2.gz YHENKGQJWOCICF-MNOVXSKESA-N 1 1 309.370 -1.663 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031943241 663390119 /nfs/dbraw/zinc/39/01/19/663390119.db2.gz YHENKGQJWOCICF-QWRGUYRKSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344679 663390472 /nfs/dbraw/zinc/39/04/72/663390472.db2.gz JCDJPXCKURUCAZ-OCCSQVGLSA-N 1 1 323.441 -1.217 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001031944652 663391104 /nfs/dbraw/zinc/39/11/04/663391104.db2.gz YKSUVCYGUAPFTH-LLVKDONJSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1cc(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cn1 ZINC000941336748 663391128 /nfs/dbraw/zinc/39/11/28/663391128.db2.gz AFQVZCZSLQVNEX-UHFFFAOYSA-N 1 1 307.398 -1.217 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941390923 663391592 /nfs/dbraw/zinc/39/15/92/663391592.db2.gz HMSBFLZWRUOERJ-UHFFFAOYSA-N 1 1 310.398 -1.715 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)C1 ZINC000941376143 663392016 /nfs/dbraw/zinc/39/20/16/663392016.db2.gz PTYFHOIQDJPWNW-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)C1 ZINC000941376144 663392035 /nfs/dbraw/zinc/39/20/35/663392035.db2.gz PTYFHOIQDJPWNW-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)n1cncn1 ZINC000941383883 663392311 /nfs/dbraw/zinc/39/23/11/663392311.db2.gz MLLFTKXXQWLKCX-GFCCVEGCSA-N 1 1 308.386 -1.340 20 0 DAADMO O=C(Cc1cncnc1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941392225 663392346 /nfs/dbraw/zinc/39/23/46/663392346.db2.gz XRWPEOUPWBQNQX-UHFFFAOYSA-N 1 1 305.382 -1.160 20 0 DAADMO CCn1ncc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n1 ZINC000941401071 663392802 /nfs/dbraw/zinc/39/28/02/663392802.db2.gz QHDCKDCKWFCMQA-UHFFFAOYSA-N 1 1 308.386 -1.268 20 0 DAADMO Cn1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cc1=O ZINC000941460025 663394483 /nfs/dbraw/zinc/39/44/83/663394483.db2.gz LWDFIMMRAJLFHV-UHFFFAOYSA-N 1 1 320.393 -1.180 20 0 DAADMO Cn1cnn(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c1=O ZINC000941464158 663395379 /nfs/dbraw/zinc/39/53/79/663395379.db2.gz FSMRSMGJVDPWKJ-UHFFFAOYSA-N 1 1 324.385 -2.598 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941487833 663395653 /nfs/dbraw/zinc/39/56/53/663395653.db2.gz UESQIMJLAMZQSW-UHFFFAOYSA-N 1 1 320.397 -1.495 20 0 DAADMO NC(=O)c1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)o1 ZINC000941479673 663395933 /nfs/dbraw/zinc/39/59/33/663395933.db2.gz PJTHLFSMGBDNJI-UHFFFAOYSA-N 1 1 322.365 -1.187 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941509408 663396689 /nfs/dbraw/zinc/39/66/89/663396689.db2.gz IIILSOZUFZYYEQ-OLZOCXBDSA-N 1 1 310.398 -1.681 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941509409 663396911 /nfs/dbraw/zinc/39/69/11/663396911.db2.gz IIILSOZUFZYYEQ-QWHCGFSZSA-N 1 1 310.398 -1.681 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941513948 663397346 /nfs/dbraw/zinc/39/73/46/663397346.db2.gz ZHMRFSJJNPAGIQ-CYBMUJFWSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941513949 663397635 /nfs/dbraw/zinc/39/76/35/663397635.db2.gz ZHMRFSJJNPAGIQ-ZDUSSCGKSA-N 1 1 324.425 -1.182 20 0 DAADMO Cn1cc(CC[NH+]2CC(N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC000941543661 663398674 /nfs/dbraw/zinc/39/86/74/663398674.db2.gz OBHIOPCAGYNTIU-UHFFFAOYSA-N 1 1 320.397 -1.724 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC000941568514 663399201 /nfs/dbraw/zinc/39/92/01/663399201.db2.gz PSIYARWTRJGNDG-OLZOCXBDSA-N 1 1 310.398 -1.417 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941566347 663399485 /nfs/dbraw/zinc/39/94/85/663399485.db2.gz CIWBLUMUXAAGKA-TZMCWYRMSA-N 1 1 323.441 -1.502 20 0 DAADMO COc1ccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nn1 ZINC000941629928 663400610 /nfs/dbraw/zinc/40/06/10/663400610.db2.gz AVDOIRFNONJXOJ-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)CCn3cnnn3)CC2)C1 ZINC000941614774 663400791 /nfs/dbraw/zinc/40/07/91/663400791.db2.gz KSCZHLCXAMHLTK-UHFFFAOYSA-N 1 1 323.401 -1.462 20 0 DAADMO Cn1cncc1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941639703 663401212 /nfs/dbraw/zinc/40/12/12/663401212.db2.gz WFSSGCOQSIVEEG-UHFFFAOYSA-N 1 1 307.398 -1.217 20 0 DAADMO Cn1nc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)ccc1=O ZINC000941658053 663401234 /nfs/dbraw/zinc/40/12/34/663401234.db2.gz QLYPHWHIOUXQEZ-UHFFFAOYSA-N 1 1 321.381 -1.785 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C3CN(CC(N)=O)C3)CC2)C1 ZINC000941639454 663401335 /nfs/dbraw/zinc/40/13/35/663401335.db2.gz SNEXQSCLHAXCIL-ZDUSSCGKSA-N 1 1 323.441 -1.358 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC1=O ZINC000941674964 663401613 /nfs/dbraw/zinc/40/16/13/663401613.db2.gz NXZVJAKCYCJNIL-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cccc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c1=O ZINC000941643204 663401897 /nfs/dbraw/zinc/40/18/97/663401897.db2.gz SMUWJOFLKMUZFK-UHFFFAOYSA-N 1 1 320.393 -1.180 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666415 663402268 /nfs/dbraw/zinc/40/22/68/663402268.db2.gz YIWXNYXXQQIDSY-STQMWFEESA-N 1 1 323.441 -1.360 20 0 DAADMO C[C@H](C(N)=O)N1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666413 663402473 /nfs/dbraw/zinc/40/24/73/663402473.db2.gz YIWXNYXXQQIDSY-OLZOCXBDSA-N 1 1 323.441 -1.360 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941788122 663404368 /nfs/dbraw/zinc/40/43/68/663404368.db2.gz BYMPDORZVCWDPY-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792565 663405038 /nfs/dbraw/zinc/40/50/38/663405038.db2.gz YQNNKJCEQIYZBZ-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941792565 663405041 /nfs/dbraw/zinc/40/50/41/663405041.db2.gz YQNNKJCEQIYZBZ-ZYHUDNBSSA-N 1 1 319.373 -1.172 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cn[nH]n1 ZINC000995179839 663405908 /nfs/dbraw/zinc/40/59/08/663405908.db2.gz UEZWESGUCBJZRT-JQWIXIFHSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1cnn[nH]1 ZINC000995179839 663405912 /nfs/dbraw/zinc/40/59/12/663405912.db2.gz UEZWESGUCBJZRT-JQWIXIFHSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cnn[nH]1 ZINC000995179839 663405914 /nfs/dbraw/zinc/40/59/14/663405914.db2.gz UEZWESGUCBJZRT-JQWIXIFHSA-N 1 1 320.353 -1.392 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941859432 663406027 /nfs/dbraw/zinc/40/60/27/663406027.db2.gz MFNKZZPKXFBSGP-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941852725 663406215 /nfs/dbraw/zinc/40/62/15/663406215.db2.gz NFJPHSSZKBJPAX-HBNTYKKESA-N 1 1 322.369 -1.288 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cn[nH]n1 ZINC000995179841 663406306 /nfs/dbraw/zinc/40/63/06/663406306.db2.gz UEZWESGUCBJZRT-ZYHUDNBSSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1cnn[nH]1 ZINC000995179841 663406307 /nfs/dbraw/zinc/40/63/07/663406307.db2.gz UEZWESGUCBJZRT-ZYHUDNBSSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cnn[nH]1 ZINC000995179841 663406308 /nfs/dbraw/zinc/40/63/08/663406308.db2.gz UEZWESGUCBJZRT-ZYHUDNBSSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948378551 663406310 /nfs/dbraw/zinc/40/63/10/663406310.db2.gz XIUMBXNNTIGSNE-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941871670 663406508 /nfs/dbraw/zinc/40/65/08/663406508.db2.gz UWHWEPPSBMQBGV-NXEZZACHSA-N 1 1 309.326 -1.981 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001031980469 663408205 /nfs/dbraw/zinc/40/82/05/663408205.db2.gz SINGMTSSTRXVTA-NEPJUHHUSA-N 1 1 308.382 -1.223 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000941973821 663409479 /nfs/dbraw/zinc/40/94/79/663409479.db2.gz QREIBCQYAJMIFY-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000941973821 663409482 /nfs/dbraw/zinc/40/94/82/663409482.db2.gz QREIBCQYAJMIFY-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000942013058 663411206 /nfs/dbraw/zinc/41/12/06/663411206.db2.gz WGHHDPUZLGSZTA-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000942013059 663411292 /nfs/dbraw/zinc/41/12/92/663411292.db2.gz WGHHDPUZLGSZTA-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC000942035145 663411523 /nfs/dbraw/zinc/41/15/23/663411523.db2.gz DDVKFLGFZVLANG-IJLUTSLNSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000942035377 663411856 /nfs/dbraw/zinc/41/18/56/663411856.db2.gz QPBRFNVNIFNBJQ-WISYIIOYSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942052985 663412071 /nfs/dbraw/zinc/41/20/71/663412071.db2.gz INFOTVUKCVXTHF-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061175 663412346 /nfs/dbraw/zinc/41/23/46/663412346.db2.gz IOYVGCNHJFVCCJ-BDAKNGLRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061175 663412348 /nfs/dbraw/zinc/41/23/48/663412348.db2.gz IOYVGCNHJFVCCJ-BDAKNGLRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942058600 663412430 /nfs/dbraw/zinc/41/24/30/663412430.db2.gz ZACWDKIUVZKLKY-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061708 663412568 /nfs/dbraw/zinc/41/25/68/663412568.db2.gz OBPPDYLPYWAOKJ-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000942128191 663413012 /nfs/dbraw/zinc/41/30/12/663413012.db2.gz CPEOEIYKSGNPFX-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000942128191 663413014 /nfs/dbraw/zinc/41/30/14/663413014.db2.gz CPEOEIYKSGNPFX-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142908 663413464 /nfs/dbraw/zinc/41/34/64/663413464.db2.gz MBIVMTFWPMHWQY-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC000942142908 663413466 /nfs/dbraw/zinc/41/34/66/663413466.db2.gz MBIVMTFWPMHWQY-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](C)C1 ZINC000942141953 663413480 /nfs/dbraw/zinc/41/34/80/663413480.db2.gz FQHKAHUDHZWABM-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000942191815 663415119 /nfs/dbraw/zinc/41/51/19/663415119.db2.gz HXMXWMVEYXCSCT-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000942191815 663415121 /nfs/dbraw/zinc/41/51/21/663415121.db2.gz HXMXWMVEYXCSCT-NXEZZACHSA-N 1 1 323.357 -2.129 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000942201128 663416280 /nfs/dbraw/zinc/41/62/80/663416280.db2.gz SBHWSFDBARNSBH-CHWSQXEVSA-N 1 1 312.414 -1.421 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCCNC1=O ZINC000942258551 663417006 /nfs/dbraw/zinc/41/70/06/663417006.db2.gz PUYRLJWWKVADON-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCCNC1=O ZINC000942258551 663417008 /nfs/dbraw/zinc/41/70/08/663417008.db2.gz PUYRLJWWKVADON-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1ccnnc1 ZINC001032004571 663417159 /nfs/dbraw/zinc/41/71/59/663417159.db2.gz KUSDTMYKOPGMHV-LLVKDONJSA-N 1 1 303.322 -1.057 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000942300496 663419198 /nfs/dbraw/zinc/41/91/98/663419198.db2.gz KFVJAJLYVYGNFC-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC000942301384 663419202 /nfs/dbraw/zinc/41/92/02/663419202.db2.gz VHLUTKZFTYOEIH-ZYHUDNBSSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CCCNC3=O)C2)C1 ZINC000995228382 663421492 /nfs/dbraw/zinc/42/14/92/663421492.db2.gz VNQFGIQWBFZZEL-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942309735 663421510 /nfs/dbraw/zinc/42/15/10/663421510.db2.gz MPKBHFSUMGLWQO-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942309735 663421512 /nfs/dbraw/zinc/42/15/12/663421512.db2.gz MPKBHFSUMGLWQO-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000942435478 663423507 /nfs/dbraw/zinc/42/35/07/663423507.db2.gz WDSKPLBJTJZKTI-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942460305 663424484 /nfs/dbraw/zinc/42/44/84/663424484.db2.gz IEPMVDQZIWOEMW-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000942460305 663424485 /nfs/dbraw/zinc/42/44/85/663424485.db2.gz IEPMVDQZIWOEMW-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000942514763 663425657 /nfs/dbraw/zinc/42/56/57/663425657.db2.gz XASJVUKKNXZMHE-DGCLKSJQSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000942514763 663425664 /nfs/dbraw/zinc/42/56/64/663425664.db2.gz XASJVUKKNXZMHE-DGCLKSJQSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563161 663426246 /nfs/dbraw/zinc/42/62/46/663426246.db2.gz VSZCZTBYNKNLSB-MWLCHTKSSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563161 663426248 /nfs/dbraw/zinc/42/62/48/663426248.db2.gz VSZCZTBYNKNLSB-MWLCHTKSSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942561631 663426281 /nfs/dbraw/zinc/42/62/81/663426281.db2.gz ALFQEMLXXRXWOI-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](C)C1 ZINC000942560917 663427017 /nfs/dbraw/zinc/42/70/17/663427017.db2.gz YOXNWCWDNMYLLN-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563163 663427036 /nfs/dbraw/zinc/42/70/36/663427036.db2.gz VSZCZTBYNKNLSB-ONGXEEELSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942563163 663427041 /nfs/dbraw/zinc/42/70/41/663427041.db2.gz VSZCZTBYNKNLSB-ONGXEEELSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942595251 663427272 /nfs/dbraw/zinc/42/72/72/663427272.db2.gz WHJRLRSXKHRRFH-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1NC(=O)C(N)=O ZINC000942591685 663427306 /nfs/dbraw/zinc/42/73/06/663427306.db2.gz NILDSKHHEHIUEF-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](C)C1 ZINC000942589245 663427721 /nfs/dbraw/zinc/42/77/21/663427721.db2.gz VFSNMJLBRWHXDY-ZJUUUORDSA-N 1 1 307.354 -1.044 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052619 663430459 /nfs/dbraw/zinc/43/04/59/663430459.db2.gz SHDYVYSPVQCDSD-JTQLQIEISA-N 1 1 310.354 -1.649 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052617 663430574 /nfs/dbraw/zinc/43/05/74/663430574.db2.gz SBRKVXUQJFRFAQ-MRVPVSSYSA-N 1 1 310.354 -1.778 20 0 DAADMO O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001032059659 663432074 /nfs/dbraw/zinc/43/20/74/663432074.db2.gz MZVFMMHWVCSYDC-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cnon1 ZINC001015880715 663432327 /nfs/dbraw/zinc/43/23/27/663432327.db2.gz QNNVUBFFYFJRNY-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075653 663433747 /nfs/dbraw/zinc/43/37/47/663433747.db2.gz QHFXAPLRNKIFPP-MRVPVSSYSA-N 1 1 307.354 -1.090 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c1 ZINC001032075014 663433875 /nfs/dbraw/zinc/43/38/75/663433875.db2.gz CLTOXDHOYXVZHV-LLVKDONJSA-N 1 1 305.338 -1.336 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549720 663436316 /nfs/dbraw/zinc/43/63/16/663436316.db2.gz UVFBTINGVOPTAZ-WCBMZHEXSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549720 663436317 /nfs/dbraw/zinc/43/63/17/663436317.db2.gz UVFBTINGVOPTAZ-WCBMZHEXSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943677388 663437191 /nfs/dbraw/zinc/43/71/91/663437191.db2.gz ZXYLATDOWMDOJF-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995416026 663440350 /nfs/dbraw/zinc/44/03/50/663440350.db2.gz PIRPXDVFONXNED-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995416024 663440507 /nfs/dbraw/zinc/44/05/07/663440507.db2.gz PIRPXDVFONXNED-JTQLQIEISA-N 1 1 319.373 -1.172 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001032136719 663442527 /nfs/dbraw/zinc/44/25/27/663442527.db2.gz DKOWXOSHMVMGKR-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)c1=O ZINC001032137040 663442610 /nfs/dbraw/zinc/44/26/10/663442610.db2.gz UTTAPWSNJDZPDR-LBPRGKRZSA-N 1 1 304.350 -1.065 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001032137432 663442660 /nfs/dbraw/zinc/44/26/60/663442660.db2.gz OOTCDXVUVSUQLO-UWVGGRQHSA-N 1 1 308.338 -1.882 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cn2ncnn2)C1 ZINC000944035369 663442986 /nfs/dbraw/zinc/44/29/86/663442986.db2.gz ANOSIXIQNCWDIW-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCNC(=O)CC2)n1 ZINC001038601727 663443735 /nfs/dbraw/zinc/44/37/35/663443735.db2.gz PTOLFDIETVORBH-WDEREUQCSA-N 1 1 321.385 -1.070 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032172835 663444529 /nfs/dbraw/zinc/44/45/29/663444529.db2.gz DZRPWPUUIHSJJM-SECBINFHSA-N 1 1 307.354 -1.424 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001032182088 663444962 /nfs/dbraw/zinc/44/49/62/663444962.db2.gz DQRQGPREKIUSLK-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184835 663445032 /nfs/dbraw/zinc/44/50/32/663445032.db2.gz ZZZZLVACUMQVNF-QMMMGPOBSA-N 1 1 323.353 -1.718 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184428 663445594 /nfs/dbraw/zinc/44/55/94/663445594.db2.gz SGGWXVIOVLVNJA-JTQLQIEISA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC000944243996 663447583 /nfs/dbraw/zinc/44/75/83/663447583.db2.gz NOMWHFGOXHIAMP-GRYCIOLGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)O1 ZINC000944248239 663448541 /nfs/dbraw/zinc/44/85/41/663448541.db2.gz QGSPDTZCILWMLT-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCN2C(=O)C(N)=O)O1 ZINC000944248239 663448543 /nfs/dbraw/zinc/44/85/43/663448543.db2.gz QGSPDTZCILWMLT-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000995477129 663449477 /nfs/dbraw/zinc/44/94/77/663449477.db2.gz OBKYEATVRZIURR-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194499 663449543 /nfs/dbraw/zinc/44/95/43/663449543.db2.gz RFSVBJMUYDOKRZ-WPRPVWTQSA-N 1 1 318.399 -2.139 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000995477125 663449686 /nfs/dbraw/zinc/44/96/86/663449686.db2.gz OBKYEATVRZIURR-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194427 663449743 /nfs/dbraw/zinc/44/97/43/663449743.db2.gz RFSVBJMUYDOKRZ-PSASIEDQSA-N 1 1 318.399 -2.139 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197682 663450145 /nfs/dbraw/zinc/45/01/45/663450145.db2.gz TZXWKKYVSNBAOR-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001032197682 663450146 /nfs/dbraw/zinc/45/01/46/663450146.db2.gz TZXWKKYVSNBAOR-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001032197683 663450576 /nfs/dbraw/zinc/45/05/76/663450576.db2.gz TZXWKKYVSNBAOR-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001032197683 663450578 /nfs/dbraw/zinc/45/05/78/663450578.db2.gz TZXWKKYVSNBAOR-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCO2)CC1(C)C ZINC000995499099 663453568 /nfs/dbraw/zinc/45/35/68/663453568.db2.gz GGVMVQWUPOIBRH-GHMZBOCLSA-N 1 1 324.385 -1.048 20 0 DAADMO COCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000944527392 663457128 /nfs/dbraw/zinc/45/71/28/663457128.db2.gz XLBJURMTQLZMTM-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000944527392 663457129 /nfs/dbraw/zinc/45/71/29/663457129.db2.gz XLBJURMTQLZMTM-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)c3cnon3)CCO2)C1 ZINC000944601323 663459574 /nfs/dbraw/zinc/45/95/74/663459574.db2.gz PHBCCGYTMYKWLC-WDEREUQCSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211534 663460998 /nfs/dbraw/zinc/46/09/98/663460998.db2.gz PWWOIWGRXSCUQF-JTQLQIEISA-N 1 1 309.370 -1.351 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000944659752 663462251 /nfs/dbraw/zinc/46/22/51/663462251.db2.gz UILZSKAJTCGDQX-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3nnc[nH]3)C2)C1 ZINC000944717743 663464759 /nfs/dbraw/zinc/46/47/59/663464759.db2.gz NTTAELYMOZJRJW-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717743 663464761 /nfs/dbraw/zinc/46/47/61/663464761.db2.gz NTTAELYMOZJRJW-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717743 663464763 /nfs/dbraw/zinc/46/47/63/663464763.db2.gz NTTAELYMOZJRJW-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717743 663464767 /nfs/dbraw/zinc/46/47/67/663464767.db2.gz NTTAELYMOZJRJW-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717743 663464769 /nfs/dbraw/zinc/46/47/69/663464769.db2.gz NTTAELYMOZJRJW-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789600 663467911 /nfs/dbraw/zinc/46/79/11/663467911.db2.gz LMCYAJJOICEAPM-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944789600 663467913 /nfs/dbraw/zinc/46/79/13/663467913.db2.gz LMCYAJJOICEAPM-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944812003 663468172 /nfs/dbraw/zinc/46/81/72/663468172.db2.gz RNXMPDBDTPKWCG-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813753 663468212 /nfs/dbraw/zinc/46/82/12/663468212.db2.gz WOWRMMGHVUIEHJ-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813753 663468213 /nfs/dbraw/zinc/46/82/13/663468213.db2.gz WOWRMMGHVUIEHJ-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944787086 663468228 /nfs/dbraw/zinc/46/82/28/663468228.db2.gz AIGXWUMSUABNDG-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944897231 663468693 /nfs/dbraw/zinc/46/86/93/663468693.db2.gz VFVJECQHAAZQOB-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000944897231 663468695 /nfs/dbraw/zinc/46/86/95/663468695.db2.gz VFVJECQHAAZQOB-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895644 663469469 /nfs/dbraw/zinc/46/94/69/663469469.db2.gz NLTUPLPMPUPLFP-VIFPVBQESA-N 1 1 323.353 -1.325 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895644 663469470 /nfs/dbraw/zinc/46/94/70/663469470.db2.gz NLTUPLPMPUPLFP-VIFPVBQESA-N 1 1 323.353 -1.325 20 0 DAADMO Cc1nc[nH]c1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001032230633 663469674 /nfs/dbraw/zinc/46/96/74/663469674.db2.gz OHBZNKKXDKITRI-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO COCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1C(=O)CNC1=O ZINC001032237244 663471236 /nfs/dbraw/zinc/47/12/36/663471236.db2.gz ZGDPCXKESHAYLJ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO COCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1C(=O)CNC1=O ZINC001032237244 663471239 /nfs/dbraw/zinc/47/12/39/663471239.db2.gz ZGDPCXKESHAYLJ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945179445 663471492 /nfs/dbraw/zinc/47/14/92/663471492.db2.gz JCCLTJCVKZSQKI-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183485 663471662 /nfs/dbraw/zinc/47/16/62/663471662.db2.gz RDZMSFRAZPICGU-DTWKUNHWSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183485 663471664 /nfs/dbraw/zinc/47/16/64/663471664.db2.gz RDZMSFRAZPICGU-DTWKUNHWSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225851 663471905 /nfs/dbraw/zinc/47/19/05/663471905.db2.gz VPIZNDWBGRRJRO-UWVGGRQHSA-N 1 1 309.370 -1.351 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225851 663471908 /nfs/dbraw/zinc/47/19/08/663471908.db2.gz VPIZNDWBGRRJRO-UWVGGRQHSA-N 1 1 309.370 -1.351 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225849 663472113 /nfs/dbraw/zinc/47/21/13/663472113.db2.gz VPIZNDWBGRRJRO-NXEZZACHSA-N 1 1 309.370 -1.351 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC000945225849 663472114 /nfs/dbraw/zinc/47/21/14/663472114.db2.gz VPIZNDWBGRRJRO-NXEZZACHSA-N 1 1 309.370 -1.351 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC(=O)Cn2cnnn2)CC1 ZINC000945286251 663472833 /nfs/dbraw/zinc/47/28/33/663472833.db2.gz JGTWVGSXHOKNPS-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO Nc1nc(Nc2ccc(N3CCNC(=O)C3)nc2)nc(N)[nH+]1 ZINC000623851563 663475608 /nfs/dbraw/zinc/47/56/08/663475608.db2.gz BLPWIQIKIBDIBM-UHFFFAOYSA-N 1 1 301.314 -1.807 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000945567221 663476627 /nfs/dbraw/zinc/47/66/27/663476627.db2.gz TUAFPVFIUVLVSD-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000945567221 663476628 /nfs/dbraw/zinc/47/66/28/663476628.db2.gz TUAFPVFIUVLVSD-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032269450 663476981 /nfs/dbraw/zinc/47/69/81/663476981.db2.gz PZPCOUWELFJCMR-RYUDHWBXSA-N 1 1 319.369 -1.419 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032269450 663476985 /nfs/dbraw/zinc/47/69/85/663476985.db2.gz PZPCOUWELFJCMR-RYUDHWBXSA-N 1 1 319.369 -1.419 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269551 663477256 /nfs/dbraw/zinc/47/72/56/663477256.db2.gz UXUUZUSHEWUVDG-GARJFASQSA-N 1 1 305.342 -1.811 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269551 663477257 /nfs/dbraw/zinc/47/72/57/663477257.db2.gz UXUUZUSHEWUVDG-GARJFASQSA-N 1 1 305.342 -1.811 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269760 663477271 /nfs/dbraw/zinc/47/72/71/663477271.db2.gz ZRONHEBOWLIICE-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001032269760 663477272 /nfs/dbraw/zinc/47/72/72/663477272.db2.gz ZRONHEBOWLIICE-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269175 663477287 /nfs/dbraw/zinc/47/72/87/663477287.db2.gz GSDPFWPBSQSRJT-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995707870 663477706 /nfs/dbraw/zinc/47/77/06/663477706.db2.gz AKUUNJOMWZINNE-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032279053 663478572 /nfs/dbraw/zinc/47/85/72/663478572.db2.gz YEPVYNXZNVBVJJ-SRVKXCTJSA-N 1 1 317.349 -1.027 20 0 DAADMO O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032279053 663478573 /nfs/dbraw/zinc/47/85/73/663478573.db2.gz YEPVYNXZNVBVJJ-SRVKXCTJSA-N 1 1 317.349 -1.027 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000995777793 663481822 /nfs/dbraw/zinc/48/18/22/663481822.db2.gz VUMZAKAPBBRWFI-VIFPVBQESA-N 1 1 319.373 -1.021 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032289629 663481923 /nfs/dbraw/zinc/48/19/23/663481923.db2.gz CJYUCCIJQPUJRZ-RWMBFGLXSA-N 1 1 307.354 -1.021 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032289629 663481926 /nfs/dbraw/zinc/48/19/26/663481926.db2.gz CJYUCCIJQPUJRZ-RWMBFGLXSA-N 1 1 307.354 -1.021 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)nn1 ZINC000995778638 663482407 /nfs/dbraw/zinc/48/24/07/663482407.db2.gz YBGGCGOQOLLNNO-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000995978923 663482823 /nfs/dbraw/zinc/48/28/23/663482823.db2.gz RVMVYYQYXJSIQR-VPOLOUISSA-N 1 1 310.354 -1.950 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000995978923 663482827 /nfs/dbraw/zinc/48/28/27/663482827.db2.gz RVMVYYQYXJSIQR-VPOLOUISSA-N 1 1 310.354 -1.950 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000996064331 663482984 /nfs/dbraw/zinc/48/29/84/663482984.db2.gz IRBYQKROPYFIGD-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000996062249 663483161 /nfs/dbraw/zinc/48/31/61/663483161.db2.gz YIGRMYNDFCZWKR-LLVKDONJSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000996069132 663483181 /nfs/dbraw/zinc/48/31/81/663483181.db2.gz KQEKQHZZLPCHKO-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000996059320 663483217 /nfs/dbraw/zinc/48/32/17/663483217.db2.gz MVTPPXHXLFATRJ-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)n3)CC2(C)C)n1 ZINC000996149576 663483621 /nfs/dbraw/zinc/48/36/21/663483621.db2.gz IGYXMRTWADQDHV-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000996071615 663483628 /nfs/dbraw/zinc/48/36/28/663483628.db2.gz XZTDIIQCJQLYPS-JTQLQIEISA-N 1 1 307.310 -1.373 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)c3nnn(C)n3)CC2(C)C)n1 ZINC000996149575 663483728 /nfs/dbraw/zinc/48/37/28/663483728.db2.gz IGYXMRTWADQDHV-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO CC1(C)CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000996221016 663483910 /nfs/dbraw/zinc/48/39/10/663483910.db2.gz RVVKXLIDBWXMSW-VIFPVBQESA-N 1 1 322.369 -1.380 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CC2(C)C)n1 ZINC000996214452 663484244 /nfs/dbraw/zinc/48/42/44/663484244.db2.gz QAVDZCFIXPPYLI-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015948018 663484613 /nfs/dbraw/zinc/48/46/13/663484613.db2.gz SEFFEUKPTUUXBJ-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996259195 663484884 /nfs/dbraw/zinc/48/48/84/663484884.db2.gz NQVSKKVIUWLOSA-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CNC(=O)C3)C2)C1 ZINC000996259195 663484885 /nfs/dbraw/zinc/48/48/85/663484885.db2.gz NQVSKKVIUWLOSA-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996285748 663485237 /nfs/dbraw/zinc/48/52/37/663485237.db2.gz XZLJQHXPCIAWSX-BONVTDFDSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000996438439 663486148 /nfs/dbraw/zinc/48/61/48/663486148.db2.gz ZRFBSNFRZLOTIX-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000996408787 663486189 /nfs/dbraw/zinc/48/61/89/663486189.db2.gz XCTWITGWPXVXOH-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000996443522 663486618 /nfs/dbraw/zinc/48/66/18/663486618.db2.gz SQWCAXVXMHCNGA-MWLCHTKSSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000996442400 663486676 /nfs/dbraw/zinc/48/66/76/663486676.db2.gz HCYUBCQPZPKFGK-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000996434443 663486852 /nfs/dbraw/zinc/48/68/52/663486852.db2.gz FGFGNYJZYJPXMR-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cncc1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000996444073 663486870 /nfs/dbraw/zinc/48/68/70/663486870.db2.gz QPVHKEOYIBKDFV-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cncc1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000996444073 663486873 /nfs/dbraw/zinc/48/68/73/663486873.db2.gz QPVHKEOYIBKDFV-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000996437083 663486888 /nfs/dbraw/zinc/48/68/88/663486888.db2.gz SVMXMOLIWJZCAM-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000996432879 663486948 /nfs/dbraw/zinc/48/69/48/663486948.db2.gz FVXITNYDAFDWAH-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000996442402 663486995 /nfs/dbraw/zinc/48/69/95/663486995.db2.gz HCYUBCQPZPKFGK-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000996435979 663487031 /nfs/dbraw/zinc/48/70/31/663487031.db2.gz MPJHNBPZESZZRZ-GXSJLCMTSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3csnn3)C2)C1 ZINC000996592443 663488864 /nfs/dbraw/zinc/48/88/64/663488864.db2.gz NYVCLNHAUZTKRB-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3csnn3)C2)C1 ZINC000996592443 663488865 /nfs/dbraw/zinc/48/88/65/663488865.db2.gz NYVCLNHAUZTKRB-JTQLQIEISA-N 1 1 311.367 -1.191 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)C(C)(C)C(N)=O)CC2)n1 ZINC000996685274 663490183 /nfs/dbraw/zinc/49/01/83/663490183.db2.gz CNDYWWLHMOJKCY-UHFFFAOYSA-N 1 1 309.374 -1.198 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)n1 ZINC000996756542 663492147 /nfs/dbraw/zinc/49/21/47/663492147.db2.gz JLRXTESZZRKNKE-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1 ZINC001032325356 663492504 /nfs/dbraw/zinc/49/25/04/663492504.db2.gz KKWNCCGCVCAQAA-SRVKXCTJSA-N 1 1 307.354 -1.596 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1C(=O)CNC1=O ZINC001032324904 663492584 /nfs/dbraw/zinc/49/25/84/663492584.db2.gz ZFZVSHDVFUSOGO-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1C(=O)CNC1=O ZINC001032324904 663492585 /nfs/dbraw/zinc/49/25/85/663492585.db2.gz ZFZVSHDVFUSOGO-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO CS(=O)(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000735064660 663495091 /nfs/dbraw/zinc/49/50/91/663495091.db2.gz REWUWGANBSKBTE-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735045298 663494802 /nfs/dbraw/zinc/49/48/02/663494802.db2.gz ZBWAIMMYCSSXEZ-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000735064659 663495361 /nfs/dbraw/zinc/49/53/61/663495361.db2.gz REWUWGANBSKBTE-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)n1 ZINC000996897521 663497207 /nfs/dbraw/zinc/49/72/07/663497207.db2.gz DOUXTDCBSKTFDJ-LLVKDONJSA-N 1 1 321.385 -1.089 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032362343 663499636 /nfs/dbraw/zinc/49/96/36/663499636.db2.gz WVCNQGWQTQIIES-DCAQKATOSA-N 1 1 320.353 -1.453 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)n1 ZINC000996992588 663500413 /nfs/dbraw/zinc/50/04/13/663500413.db2.gz WGEZSGNGJQCKAT-AWEZNQCLSA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032365634 663500481 /nfs/dbraw/zinc/50/04/81/663500481.db2.gz GCNSKILCBIIBGX-QWRGUYRKSA-N 1 1 318.341 -1.440 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032365634 663500482 /nfs/dbraw/zinc/50/04/82/663500482.db2.gz GCNSKILCBIIBGX-QWRGUYRKSA-N 1 1 318.341 -1.440 20 0 DAADMO Cn1ncc(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)n1 ZINC000997089864 663502617 /nfs/dbraw/zinc/50/26/17/663502617.db2.gz QPDUESHVNOKUSE-UHFFFAOYSA-N 1 1 305.346 -1.267 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997106825 663502745 /nfs/dbraw/zinc/50/27/45/663502745.db2.gz MXVCQLNAXHFJMY-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997106825 663502746 /nfs/dbraw/zinc/50/27/46/663502746.db2.gz MXVCQLNAXHFJMY-WDEREUQCSA-N 1 1 310.354 -2.077 20 0 DAADMO CC(C)(O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001032380424 663503049 /nfs/dbraw/zinc/50/30/49/663503049.db2.gz KLBIQEPDZKNLES-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO CC(C)(O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001032380424 663503050 /nfs/dbraw/zinc/50/30/50/663503050.db2.gz KLBIQEPDZKNLES-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997111041 663503464 /nfs/dbraw/zinc/50/34/64/663503464.db2.gz PFFVNWMWIOUGIC-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)nn1 ZINC001032387062 663503668 /nfs/dbraw/zinc/50/36/68/663503668.db2.gz DAPCGPDCPUCNFP-JBLDHEPKSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCNC2=O)nn1 ZINC001032387062 663503670 /nfs/dbraw/zinc/50/36/70/663503670.db2.gz DAPCGPDCPUCNFP-JBLDHEPKSA-N 1 1 304.354 -1.008 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032384903 663503872 /nfs/dbraw/zinc/50/38/72/663503872.db2.gz XQBNDSSZXSNRAN-GARJFASQSA-N 1 1 306.326 -1.328 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032384903 663503874 /nfs/dbraw/zinc/50/38/74/663503874.db2.gz XQBNDSSZXSNRAN-GARJFASQSA-N 1 1 306.326 -1.328 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)nn1 ZINC001032387063 663503881 /nfs/dbraw/zinc/50/38/81/663503881.db2.gz DAPCGPDCPUCNFP-NHCYSSNCSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)nn1 ZINC001032387063 663503882 /nfs/dbraw/zinc/50/38/82/663503882.db2.gz DAPCGPDCPUCNFP-NHCYSSNCSA-N 1 1 304.354 -1.008 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997121040 663504151 /nfs/dbraw/zinc/50/41/51/663504151.db2.gz YGXSSOQUMPLYNG-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997121040 663504154 /nfs/dbraw/zinc/50/41/54/663504154.db2.gz YGXSSOQUMPLYNG-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032389958 663504187 /nfs/dbraw/zinc/50/41/87/663504187.db2.gz XDDAEMMGNJCYDA-LPEHRKFASA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032389958 663504189 /nfs/dbraw/zinc/50/41/89/663504189.db2.gz XDDAEMMGNJCYDA-LPEHRKFASA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCN(C)C2=O)nn1 ZINC001032388864 663504303 /nfs/dbraw/zinc/50/43/03/663504303.db2.gz KPIOOSCZZHVRNU-NHCYSSNCSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCN(C)C2=O)nn1 ZINC001032388864 663504305 /nfs/dbraw/zinc/50/43/05/663504305.db2.gz KPIOOSCZZHVRNU-NHCYSSNCSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001032389951 663504345 /nfs/dbraw/zinc/50/43/45/663504345.db2.gz WXTFPEXDVUQJGX-DCAQKATOSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001032389951 663504347 /nfs/dbraw/zinc/50/43/47/663504347.db2.gz WXTFPEXDVUQJGX-DCAQKATOSA-N 1 1 304.354 -1.008 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925341949 663504492 /nfs/dbraw/zinc/50/44/92/663504492.db2.gz QTDJEOXYAIBHDM-QWRGUYRKSA-N 1 1 319.431 -1.130 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406345 663505571 /nfs/dbraw/zinc/50/55/71/663505571.db2.gz NEEQMFJBKXQYSN-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ncnn1 ZINC001032406345 663505572 /nfs/dbraw/zinc/50/55/72/663505572.db2.gz NEEQMFJBKXQYSN-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406270 663505634 /nfs/dbraw/zinc/50/56/34/663505634.db2.gz LGHMWEPLDDJAQL-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406270 663505639 /nfs/dbraw/zinc/50/56/39/663505639.db2.gz LGHMWEPLDDJAQL-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032406838 663505693 /nfs/dbraw/zinc/50/56/93/663505693.db2.gz ZBBRCOUKNDISMZ-QWRGUYRKSA-N 1 1 303.330 -1.750 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032406838 663505697 /nfs/dbraw/zinc/50/56/97/663505697.db2.gz ZBBRCOUKNDISMZ-QWRGUYRKSA-N 1 1 303.330 -1.750 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406307 663505705 /nfs/dbraw/zinc/50/57/05/663505705.db2.gz MBLJMQUPMGEQTF-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032406584 663505898 /nfs/dbraw/zinc/50/58/98/663505898.db2.gz QRZVRNIQMGCCLQ-RYUDHWBXSA-N 1 1 319.369 -1.419 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032406584 663505901 /nfs/dbraw/zinc/50/59/01/663505901.db2.gz QRZVRNIQMGCCLQ-RYUDHWBXSA-N 1 1 319.369 -1.419 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412353 663507720 /nfs/dbraw/zinc/50/77/20/663507720.db2.gz UQRQFALOQXLIKC-DCAQKATOSA-N 1 1 322.369 -1.303 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)C1=O ZINC001032425201 663510616 /nfs/dbraw/zinc/51/06/16/663510616.db2.gz HDAGEZKAHNCACO-SDDRHHMPSA-N 1 1 304.354 -1.206 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2nccn2)C1=O ZINC001032425201 663510620 /nfs/dbraw/zinc/51/06/20/663510620.db2.gz HDAGEZKAHNCACO-SDDRHHMPSA-N 1 1 304.354 -1.206 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)n(C)c1=O ZINC001032433087 663510679 /nfs/dbraw/zinc/51/06/79/663510679.db2.gz JCYZCEVUYLLFMA-WOPDTQHZSA-N 1 1 322.365 -1.787 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032425183 663510739 /nfs/dbraw/zinc/51/07/39/663510739.db2.gz GJMKHCBDCPDKOB-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001032452971 663511188 /nfs/dbraw/zinc/51/11/88/663511188.db2.gz MBMWPGAIACBIGH-NAKRPEOUSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032461707 663511740 /nfs/dbraw/zinc/51/17/40/663511740.db2.gz USMWTZDUZAANJO-GARJFASQSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032461707 663511741 /nfs/dbraw/zinc/51/17/41/663511741.db2.gz USMWTZDUZAANJO-GARJFASQSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032463669 663511749 /nfs/dbraw/zinc/51/17/49/663511749.db2.gz CASFYBKMMGZGOT-NNYUYHANSA-N 1 1 306.366 -1.171 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032463669 663511750 /nfs/dbraw/zinc/51/17/50/663511750.db2.gz CASFYBKMMGZGOT-NNYUYHANSA-N 1 1 306.366 -1.171 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)O1 ZINC000997432656 663513685 /nfs/dbraw/zinc/51/36/85/663513685.db2.gz HORKTAYVQWUWIN-ADEWGFFLSA-N 1 1 324.381 -1.831 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)O1 ZINC000997432656 663513688 /nfs/dbraw/zinc/51/36/88/663513688.db2.gz HORKTAYVQWUWIN-ADEWGFFLSA-N 1 1 324.381 -1.831 20 0 DAADMO O=C(NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)[C@H]1CCNC1=O ZINC000997420870 663516331 /nfs/dbraw/zinc/51/63/31/663516331.db2.gz NOPWVZLEYAUJMY-LRDDRELGSA-N 1 1 320.393 -1.065 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997429915 663517090 /nfs/dbraw/zinc/51/70/90/663517090.db2.gz FDZCXSWZFSITPG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997429915 663517091 /nfs/dbraw/zinc/51/70/91/663517091.db2.gz FDZCXSWZFSITPG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997429914 663517213 /nfs/dbraw/zinc/51/72/13/663517213.db2.gz FDZCXSWZFSITPG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997429914 663517217 /nfs/dbraw/zinc/51/72/17/663517217.db2.gz FDZCXSWZFSITPG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC000997441238 663517881 /nfs/dbraw/zinc/51/78/81/663517881.db2.gz ISYPIKVVBSWKGT-QWRGUYRKSA-N 1 1 309.370 -1.569 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000997447110 663518725 /nfs/dbraw/zinc/51/87/25/663518725.db2.gz HVRIOENCGXJIPY-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473694 663519631 /nfs/dbraw/zinc/51/96/31/663519631.db2.gz ZCNVNSPSFWYDBJ-MROQNXINSA-N 1 1 310.398 -1.263 20 0 DAADMO CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473694 663519633 /nfs/dbraw/zinc/51/96/33/663519633.db2.gz ZCNVNSPSFWYDBJ-MROQNXINSA-N 1 1 310.398 -1.263 20 0 DAADMO O=C([C@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032484628 663519690 /nfs/dbraw/zinc/51/96/90/663519690.db2.gz MAPDUIPWKSOAPO-DCAQKATOSA-N 1 1 307.354 -1.177 20 0 DAADMO O=C([C@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032484628 663519692 /nfs/dbraw/zinc/51/96/92/663519692.db2.gz MAPDUIPWKSOAPO-DCAQKATOSA-N 1 1 307.354 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997451364 663519737 /nfs/dbraw/zinc/51/97/37/663519737.db2.gz NRSSQYQRBLCZFW-MWLCHTKSSA-N 1 1 309.370 -1.711 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCOC2)c1=O ZINC001032486300 663520316 /nfs/dbraw/zinc/52/03/16/663520316.db2.gz NISDIIUSXXAHHY-AGIUHOORSA-N 1 1 321.381 -1.097 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncc1=O ZINC000997533803 663520664 /nfs/dbraw/zinc/52/06/64/663520664.db2.gz XHCWEPUPQAPTIU-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ncn(C)c1=O ZINC001032538715 663522865 /nfs/dbraw/zinc/52/28/65/663522865.db2.gz WAXPGPJKUYOKRO-RYUDHWBXSA-N 1 1 309.370 -1.097 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001016048261 663525483 /nfs/dbraw/zinc/52/54/83/663525483.db2.gz XDQZPEGOOUDESV-WDEREUQCSA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001016048261 663525487 /nfs/dbraw/zinc/52/54/87/663525487.db2.gz XDQZPEGOOUDESV-WDEREUQCSA-N 1 1 307.354 -1.384 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC000997809057 663526305 /nfs/dbraw/zinc/52/63/05/663526305.db2.gz XRFZBFOGBBMJPW-NSHDSACASA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001032558891 663527449 /nfs/dbraw/zinc/52/74/49/663527449.db2.gz NKQYWKTXCYYIIP-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000997865209 663528685 /nfs/dbraw/zinc/52/86/85/663528685.db2.gz SAQOPGLTJWSYCL-VIFPVBQESA-N 1 1 309.330 -2.519 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000997865209 663528689 /nfs/dbraw/zinc/52/86/89/663528689.db2.gz SAQOPGLTJWSYCL-VIFPVBQESA-N 1 1 309.330 -2.519 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032561371 663530608 /nfs/dbraw/zinc/53/06/08/663530608.db2.gz MXWHRQYFLAVVRG-SDDRHHMPSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032561371 663530613 /nfs/dbraw/zinc/53/06/13/663530613.db2.gz MXWHRQYFLAVVRG-SDDRHHMPSA-N 1 1 304.354 -1.301 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000997879256 663530759 /nfs/dbraw/zinc/53/07/59/663530759.db2.gz XFGFTTQZWQHSRU-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(C)C2=O)n1 ZINC001032571524 663531219 /nfs/dbraw/zinc/53/12/19/663531219.db2.gz IJUROMJNHROVMB-LPEHRKFASA-N 1 1 305.342 -1.661 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(C)C2=O)n1 ZINC001032571524 663531223 /nfs/dbraw/zinc/53/12/23/663531223.db2.gz IJUROMJNHROVMB-LPEHRKFASA-N 1 1 305.342 -1.661 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCN(C)C2=O)n1 ZINC001032572815 663531724 /nfs/dbraw/zinc/53/17/24/663531724.db2.gz BDKPSAVBEYQXGS-GARJFASQSA-N 1 1 319.369 -1.270 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCCN(C)C2=O)n1 ZINC001032572815 663531726 /nfs/dbraw/zinc/53/17/26/663531726.db2.gz BDKPSAVBEYQXGS-GARJFASQSA-N 1 1 319.369 -1.270 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001032572820 663531785 /nfs/dbraw/zinc/53/17/85/663531785.db2.gz BIQMVGXLHWRNTJ-GUBZILKMSA-N 1 1 305.342 -1.613 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001032572820 663531789 /nfs/dbraw/zinc/53/17/89/663531789.db2.gz BIQMVGXLHWRNTJ-GUBZILKMSA-N 1 1 305.342 -1.613 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000997923412 663532442 /nfs/dbraw/zinc/53/24/42/663532442.db2.gz DEEJFHGQVKOSBN-NHAGDIPZSA-N 1 1 323.393 -1.072 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000997947615 663534077 /nfs/dbraw/zinc/53/40/77/663534077.db2.gz KAHOMOBVLORPHP-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC000998084138 663536184 /nfs/dbraw/zinc/53/61/84/663536184.db2.gz QAGASMYQOVEZJQ-MNOVXSKESA-N 1 1 321.385 -1.340 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001032600891 663536914 /nfs/dbraw/zinc/53/69/14/663536914.db2.gz ZIDHEHSSJWLBDA-DCAQKATOSA-N 1 1 306.366 -1.184 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001032600891 663536917 /nfs/dbraw/zinc/53/69/17/663536917.db2.gz ZIDHEHSSJWLBDA-DCAQKATOSA-N 1 1 306.366 -1.184 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cncn2)CC1 ZINC001032600178 663536966 /nfs/dbraw/zinc/53/69/66/663536966.db2.gz CPKPDMCSUQMXGJ-QWRGUYRKSA-N 1 1 304.354 -1.171 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cncn2)CC1 ZINC001032600178 663536968 /nfs/dbraw/zinc/53/69/68/663536968.db2.gz CPKPDMCSUQMXGJ-QWRGUYRKSA-N 1 1 304.354 -1.171 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1cnon1 ZINC000998235741 663538442 /nfs/dbraw/zinc/53/84/42/663538442.db2.gz ITVDJRRMGQMIOY-JQWIXIFHSA-N 1 1 321.337 -1.127 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnon3)C2)C1 ZINC000998237828 663538642 /nfs/dbraw/zinc/53/86/42/663538642.db2.gz ADUUYYXVYBRGPZ-NSHDSACASA-N 1 1 309.326 -1.269 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnon3)C2)C1 ZINC000998237828 663538643 /nfs/dbraw/zinc/53/86/43/663538643.db2.gz ADUUYYXVYBRGPZ-NSHDSACASA-N 1 1 309.326 -1.269 20 0 DAADMO CO[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(N)=O ZINC000946496644 663539281 /nfs/dbraw/zinc/53/92/81/663539281.db2.gz QOFILGXXULVTOK-HBNTYKKESA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)Cn3cncn3)CC2)n1 ZINC000998253971 663539382 /nfs/dbraw/zinc/53/93/82/663539382.db2.gz UEEDOXQBQFZSDY-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ncccn3)C2)C1 ZINC000998267493 663540228 /nfs/dbraw/zinc/54/02/28/663540228.db2.gz XDYPLJMGJIKAHO-LLVKDONJSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ncccn3)C2)C1 ZINC000998267493 663540229 /nfs/dbraw/zinc/54/02/29/663540229.db2.gz XDYPLJMGJIKAHO-LLVKDONJSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cccnn3)C2)C1 ZINC000998292787 663540463 /nfs/dbraw/zinc/54/04/63/663540463.db2.gz PYTIYSIJAIWWSS-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cccnn3)C2)C1 ZINC000998292787 663540465 /nfs/dbraw/zinc/54/04/65/663540465.db2.gz PYTIYSIJAIWWSS-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO CO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1NC(=O)C(N)=O ZINC000946504551 663540535 /nfs/dbraw/zinc/54/05/35/663540535.db2.gz FLSIRESSHSRYMR-NXEZZACHSA-N 1 1 309.326 -1.981 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998571187 663543613 /nfs/dbraw/zinc/54/36/13/663543613.db2.gz FZFILFIHADYBLT-UHFFFAOYSA-N 1 1 316.321 -1.084 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000998511487 663543894 /nfs/dbraw/zinc/54/38/94/663543894.db2.gz YKQCSXCURBZWQC-NSHDSACASA-N 1 1 321.385 -1.087 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998575722 663544463 /nfs/dbraw/zinc/54/44/63/663544463.db2.gz ZKMXYBOMCXHBEZ-ONGXEEELSA-N 1 1 319.365 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998673515 663545839 /nfs/dbraw/zinc/54/58/39/663545839.db2.gz IOWWGXTZSOOXPN-GXSJLCMTSA-N 1 1 309.370 -1.663 20 0 DAADMO O=C(NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)[C@H]1CNC(=O)N1 ZINC000998672566 663546099 /nfs/dbraw/zinc/54/60/99/663546099.db2.gz ZNQHQRCHPNZXFI-ABAIWWIYSA-N 1 1 321.381 -1.519 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998678933 663548186 /nfs/dbraw/zinc/54/81/86/663548186.db2.gz ATUGHJDSKZFGMH-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998678130 663548263 /nfs/dbraw/zinc/54/82/63/663548263.db2.gz LPHRINSTYJZJAL-GXSJLCMTSA-N 1 1 309.370 -1.663 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998677169 663548367 /nfs/dbraw/zinc/54/83/67/663548367.db2.gz IQUFKAUHPVQGMJ-JTQLQIEISA-N 1 1 306.326 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998677426 663548456 /nfs/dbraw/zinc/54/84/56/663548456.db2.gz FLCOOZRIZHTYEI-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(NC(=O)C(N)=O)C1)CC2 ZINC000998706904 663549581 /nfs/dbraw/zinc/54/95/81/663549581.db2.gz BUPVAQDIXXMKIE-VIFPVBQESA-N 1 1 305.338 -1.434 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998716196 663550886 /nfs/dbraw/zinc/55/08/86/663550886.db2.gz YDQCXFJBXLESHT-LBPRGKRZSA-N 1 1 324.381 -1.558 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(NC(=O)C(N)=O)C1)C2 ZINC000998716140 663550907 /nfs/dbraw/zinc/55/09/07/663550907.db2.gz WKLMBYNXOIYVPD-SECBINFHSA-N 1 1 305.338 -1.434 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000998813673 663552683 /nfs/dbraw/zinc/55/26/83/663552683.db2.gz XGUVFODTTKDBCA-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C(=O)C[C@@H]1CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998894560 663552750 /nfs/dbraw/zinc/55/27/50/663552750.db2.gz PVEFOMQQHUHHCD-WHXUTIOJSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnc(CN[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000998826029 663552836 /nfs/dbraw/zinc/55/28/36/663552836.db2.gz OSOBPKPHMFAYFU-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000998826029 663552839 /nfs/dbraw/zinc/55/28/39/663552839.db2.gz OSOBPKPHMFAYFU-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN[C@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000998826395 663552903 /nfs/dbraw/zinc/55/29/03/663552903.db2.gz OSOBPKPHMFAYFU-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000998826395 663552906 /nfs/dbraw/zinc/55/29/06/663552906.db2.gz OSOBPKPHMFAYFU-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000998917859 663553163 /nfs/dbraw/zinc/55/31/63/663553163.db2.gz UITLCUKUDDHJHJ-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C(=O)[C@@H]1CCCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998935554 663553207 /nfs/dbraw/zinc/55/32/07/663553207.db2.gz LTNULDUIBMADRL-VQXHTEKXSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000998938274 663553349 /nfs/dbraw/zinc/55/33/49/663553349.db2.gz QOWAQFAPTLJWSY-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC000998971949 663554100 /nfs/dbraw/zinc/55/41/00/663554100.db2.gz ASRICFUAIYNLMH-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC000998988625 663554672 /nfs/dbraw/zinc/55/46/72/663554672.db2.gz HIJBJSAVGASABZ-VIFPVBQESA-N 1 1 319.373 -1.080 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999067268 663555808 /nfs/dbraw/zinc/55/58/08/663555808.db2.gz SFQALCLMQJIOMR-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]c1=O ZINC000999065449 663555995 /nfs/dbraw/zinc/55/59/95/663555995.db2.gz ZVXXZUQKFWMDQA-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]c1=O ZINC000999065449 663555997 /nfs/dbraw/zinc/55/59/97/663555997.db2.gz ZVXXZUQKFWMDQA-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC000999140047 663556086 /nfs/dbraw/zinc/55/60/86/663556086.db2.gz WEFYLRBVYNKLFM-SNVBAGLBSA-N 1 1 319.373 -1.040 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)CC[C@@H]2C1 ZINC000946517231 663556181 /nfs/dbraw/zinc/55/61/81/663556181.db2.gz BYVNHSPXXUZPES-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000999167215 663556367 /nfs/dbraw/zinc/55/63/67/663556367.db2.gz ZIZQDJMXFFLRNH-NXEZZACHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999165860 663556725 /nfs/dbraw/zinc/55/67/25/663556725.db2.gz VHFJBVREPANTTL-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000999167222 663557431 /nfs/dbraw/zinc/55/74/31/663557431.db2.gz ZIZQDJMXFFLRNH-UWVGGRQHSA-N 1 1 320.361 -1.462 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001032660685 663557621 /nfs/dbraw/zinc/55/76/21/663557621.db2.gz HCVOVOMNPJFSHV-QWRGUYRKSA-N 1 1 322.365 -1.371 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1=O ZINC001032663036 663557641 /nfs/dbraw/zinc/55/76/41/663557641.db2.gz VGIFECYSXWIVND-UWVGGRQHSA-N 1 1 324.337 -1.926 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001032660357 663557885 /nfs/dbraw/zinc/55/78/85/663557885.db2.gz CGBOFYSYPZRBRR-DCAQKATOSA-N 1 1 322.365 -1.637 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999187274 663557972 /nfs/dbraw/zinc/55/79/72/663557972.db2.gz PVOHHZZUYZUAIY-BONVTDFDSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032684293 663558193 /nfs/dbraw/zinc/55/81/93/663558193.db2.gz JUBDNJRTVFTJRB-IHRRRGAJSA-N 1 1 322.409 -1.118 20 0 DAADMO O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032684293 663558195 /nfs/dbraw/zinc/55/81/95/663558195.db2.gz JUBDNJRTVFTJRB-IHRRRGAJSA-N 1 1 322.409 -1.118 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)n2)C1=O ZINC001032681044 663558426 /nfs/dbraw/zinc/55/84/26/663558426.db2.gz YCZJDFHMWAEYNW-JBLDHEPKSA-N 1 1 304.354 -1.056 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(C)n2)C1=O ZINC001032681044 663558428 /nfs/dbraw/zinc/55/84/28/663558428.db2.gz YCZJDFHMWAEYNW-JBLDHEPKSA-N 1 1 304.354 -1.056 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH]c(=O)c1=O ZINC001032686577 663558472 /nfs/dbraw/zinc/55/84/72/663558472.db2.gz ZNCUNUPHSUDKBS-WOPDTQHZSA-N 1 1 322.365 -1.407 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)NC1=O ZINC001032686780 663558553 /nfs/dbraw/zinc/55/85/53/663558553.db2.gz JEPHMOOCLDJJHB-VWYCJHECSA-N 1 1 310.354 -1.142 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032690528 663559207 /nfs/dbraw/zinc/55/92/07/663559207.db2.gz MAYJCXSEWYRONM-SDDRHHMPSA-N 1 1 317.353 -1.039 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001032690528 663559208 /nfs/dbraw/zinc/55/92/08/663559208.db2.gz MAYJCXSEWYRONM-SDDRHHMPSA-N 1 1 317.353 -1.039 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC000999300021 663559781 /nfs/dbraw/zinc/55/97/81/663559781.db2.gz WSVBROBDZJAODL-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)c(=O)n1C ZINC001016141749 663559901 /nfs/dbraw/zinc/55/99/01/663559901.db2.gz QPAPBEDINHWOAS-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)c(=O)n1C ZINC001016141749 663559907 /nfs/dbraw/zinc/55/99/07/663559907.db2.gz QPAPBEDINHWOAS-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999418006 663560463 /nfs/dbraw/zinc/56/04/63/663560463.db2.gz NXMHBTLABVYHGB-BMNUFHGDSA-N 1 1 307.358 -1.590 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999396407 663560503 /nfs/dbraw/zinc/56/05/03/663560503.db2.gz IZHPNOZTIFKCCS-WPRPVWTQSA-N 1 1 322.325 -1.252 20 0 DAADMO CN(C(=O)[C@@]1(C)CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999395731 663560572 /nfs/dbraw/zinc/56/05/72/663560572.db2.gz XLFCQHXZDJAIRU-FDZGAKKTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001032715808 663561672 /nfs/dbraw/zinc/56/16/72/663561672.db2.gz JHYFWLNMEVJFBL-DCAQKATOSA-N 1 1 324.381 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001032715811 663561695 /nfs/dbraw/zinc/56/16/95/663561695.db2.gz JHYFWLNMEVJFBL-VWYCJHECSA-N 1 1 324.381 -1.017 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999486446 663561932 /nfs/dbraw/zinc/56/19/32/663561932.db2.gz OBAFHHKIQITVJF-GDRRJGKNSA-N 1 1 322.325 -1.253 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999801704 663565268 /nfs/dbraw/zinc/56/52/68/663565268.db2.gz YOQUPULFVUWGIZ-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999801704 663565270 /nfs/dbraw/zinc/56/52/70/663565270.db2.gz YOQUPULFVUWGIZ-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999801713 663565662 /nfs/dbraw/zinc/56/56/62/663565662.db2.gz YOQUPULFVUWGIZ-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999801713 663565670 /nfs/dbraw/zinc/56/56/70/663565670.db2.gz YOQUPULFVUWGIZ-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC000999805632 663566386 /nfs/dbraw/zinc/56/63/86/663566386.db2.gz STQGKGWLYFWBQR-BONVTDFDSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000999856815 663566719 /nfs/dbraw/zinc/56/67/19/663566719.db2.gz JXHKLSYFGFUVKK-ONGXEEELSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000999856802 663566850 /nfs/dbraw/zinc/56/68/50/663566850.db2.gz JXHKLSYFGFUVKK-KOLCDFICSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000999788887 663566875 /nfs/dbraw/zinc/56/68/75/663566875.db2.gz GXUVYIRMJQARBR-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000999890175 663567439 /nfs/dbraw/zinc/56/74/39/663567439.db2.gz LGRXQEGIIYUODU-GHMZBOCLSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000999888273 663567565 /nfs/dbraw/zinc/56/75/65/663567565.db2.gz GJPZGPRLXSPAQS-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000999889601 663567615 /nfs/dbraw/zinc/56/76/15/663567615.db2.gz WPVOSJSPDUMQRX-ONGXEEELSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000999885880 663567717 /nfs/dbraw/zinc/56/77/17/663567717.db2.gz OBBULVHITPBDJB-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885880 663567719 /nfs/dbraw/zinc/56/77/19/663567719.db2.gz OBBULVHITPBDJB-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885880 663567721 /nfs/dbraw/zinc/56/77/21/663567721.db2.gz OBBULVHITPBDJB-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999887867 663567841 /nfs/dbraw/zinc/56/78/41/663567841.db2.gz TWPQVSRLTXCYCL-ONGXEEELSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000999885890 663567868 /nfs/dbraw/zinc/56/78/68/663567868.db2.gz OBBULVHITPBDJB-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885890 663567869 /nfs/dbraw/zinc/56/78/69/663567869.db2.gz OBBULVHITPBDJB-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000999885890 663567872 /nfs/dbraw/zinc/56/78/72/663567872.db2.gz OBBULVHITPBDJB-ONGXEEELSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000999866015 663568008 /nfs/dbraw/zinc/56/80/08/663568008.db2.gz WJYFOSXDIJUHTP-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000999865658 663568192 /nfs/dbraw/zinc/56/81/92/663568192.db2.gz HXIUVYBAIUWSML-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000999865053 663568249 /nfs/dbraw/zinc/56/82/49/663568249.db2.gz RUPGYWJDCMPATN-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC000999869908 663568276 /nfs/dbraw/zinc/56/82/76/663568276.db2.gz JGFGFYGXYYRBNG-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999882582 663568696 /nfs/dbraw/zinc/56/86/96/663568696.db2.gz NWAQYHFXJAQOJO-NSHDSACASA-N 1 1 322.369 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999878282 663568814 /nfs/dbraw/zinc/56/88/14/663568814.db2.gz BSNNBGYXIAGCIZ-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999883739 663568818 /nfs/dbraw/zinc/56/88/18/663568818.db2.gz KOPWYWFLHRSTBA-JQWIXIFHSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999882581 663568853 /nfs/dbraw/zinc/56/88/53/663568853.db2.gz NWAQYHFXJAQOJO-LLVKDONJSA-N 1 1 322.369 -1.418 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000999878108 663568887 /nfs/dbraw/zinc/56/88/87/663568887.db2.gz PWUGGBAREIFWKV-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000999882215 663569021 /nfs/dbraw/zinc/56/90/21/663569021.db2.gz OBKFDVABOGFNMU-GXSJLCMTSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000999881862 663569078 /nfs/dbraw/zinc/56/90/78/663569078.db2.gz FTFHHQYTUNNCNA-CMPLNLGQSA-N 1 1 306.370 -1.197 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999914889 663569228 /nfs/dbraw/zinc/56/92/28/663569228.db2.gz AKNVCDBOMYPNTF-WOPDTQHZSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000999907568 663569303 /nfs/dbraw/zinc/56/93/03/663569303.db2.gz XRLNGYWQISVLHF-WPRPVWTQSA-N 1 1 307.358 -1.652 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)n1 ZINC000999921702 663569979 /nfs/dbraw/zinc/56/99/79/663569979.db2.gz NKFRMWUGYQBBHT-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999922305 663570090 /nfs/dbraw/zinc/57/00/90/663570090.db2.gz JXIWHWQMDJZMHA-OUAUKWLOSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999922305 663570092 /nfs/dbraw/zinc/57/00/92/663570092.db2.gz JXIWHWQMDJZMHA-OUAUKWLOSA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999930006 663570857 /nfs/dbraw/zinc/57/08/57/663570857.db2.gz DJCIAWRXFVMQRZ-WCQGTBRESA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962958 663571284 /nfs/dbraw/zinc/57/12/84/663571284.db2.gz OZLJPHSCFUAYCQ-ZYHUDNBSSA-N 1 1 322.369 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962958 663571285 /nfs/dbraw/zinc/57/12/85/663571285.db2.gz OZLJPHSCFUAYCQ-ZYHUDNBSSA-N 1 1 322.369 -1.337 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000999948723 663571289 /nfs/dbraw/zinc/57/12/89/663571289.db2.gz OTMKPYDKOONOIO-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999955860 663571549 /nfs/dbraw/zinc/57/15/49/663571549.db2.gz MDXWIZMZUJFWBK-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999955860 663571550 /nfs/dbraw/zinc/57/15/50/663571550.db2.gz MDXWIZMZUJFWBK-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001000017929 663572512 /nfs/dbraw/zinc/57/25/12/663572512.db2.gz WAMQOZDNAQETGU-MNOVXSKESA-N 1 1 307.358 -1.158 20 0 DAADMO CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001000016266 663572521 /nfs/dbraw/zinc/57/25/21/663572521.db2.gz SHBGDSPYFGDFGN-SNVBAGLBSA-N 1 1 305.346 -1.002 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1COC(=O)N1 ZINC000999988382 663572620 /nfs/dbraw/zinc/57/26/20/663572620.db2.gz BRQLJXZCXOEKPE-QWRGUYRKSA-N 1 1 324.341 -1.758 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1COC(=O)N1 ZINC000999988375 663572722 /nfs/dbraw/zinc/57/27/22/663572722.db2.gz BRQLJXZCXOEKPE-MNOVXSKESA-N 1 1 324.341 -1.758 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC001000014215 663572777 /nfs/dbraw/zinc/57/27/77/663572777.db2.gz KVFIZLJPBHMLTB-SNVBAGLBSA-N 1 1 321.345 -2.029 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000047791 663573184 /nfs/dbraw/zinc/57/31/84/663573184.db2.gz IKXRRDUXOBOPOC-UWVGGRQHSA-N 1 1 307.358 -1.423 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)[nH]1 ZINC001000046936 663573260 /nfs/dbraw/zinc/57/32/60/663573260.db2.gz GBQGKLRPQKOERL-VHSXEESVSA-N 1 1 307.358 -1.125 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000003219 663573350 /nfs/dbraw/zinc/57/33/50/663573350.db2.gz OCIFUKXNQDDKAT-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003219 663573353 /nfs/dbraw/zinc/57/33/53/663573353.db2.gz OCIFUKXNQDDKAT-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003219 663573355 /nfs/dbraw/zinc/57/33/55/663573355.db2.gz OCIFUKXNQDDKAT-ONGXEEELSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000003217 663573644 /nfs/dbraw/zinc/57/36/44/663573644.db2.gz OCIFUKXNQDDKAT-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003217 663573646 /nfs/dbraw/zinc/57/36/46/663573646.db2.gz OCIFUKXNQDDKAT-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001000003217 663573650 /nfs/dbraw/zinc/57/36/50/663573650.db2.gz OCIFUKXNQDDKAT-KOLCDFICSA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)[nH]1 ZINC001000046937 663573716 /nfs/dbraw/zinc/57/37/16/663573716.db2.gz GBQGKLRPQKOERL-ZJUUUORDSA-N 1 1 307.358 -1.125 20 0 DAADMO Cn1nc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)ccc1=O ZINC001000085887 663573929 /nfs/dbraw/zinc/57/39/29/663573929.db2.gz FPHQORCPOJKQDZ-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000039071 663574471 /nfs/dbraw/zinc/57/44/71/663574471.db2.gz SZCNBGNFSXWVLS-IUCAKERBSA-N 1 1 308.346 -2.028 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O ZINC001032729163 663576206 /nfs/dbraw/zinc/57/62/06/663576206.db2.gz SXMNBPCUNJLHEE-QWRGUYRKSA-N 1 1 310.354 -1.188 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000124165 663577163 /nfs/dbraw/zinc/57/71/63/663577163.db2.gz QLLASRJTVGMKBT-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000124165 663577169 /nfs/dbraw/zinc/57/71/69/663577169.db2.gz QLLASRJTVGMKBT-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO O=C(Cc1nnc[nH]1)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000186246 663579920 /nfs/dbraw/zinc/57/99/20/663579920.db2.gz CEBPQDBYDCLEER-UHFFFAOYSA-N 1 1 304.354 -1.230 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001000172440 663580036 /nfs/dbraw/zinc/58/00/36/663580036.db2.gz UYDGKJAFFMHNMH-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000198375 663581130 /nfs/dbraw/zinc/58/11/30/663581130.db2.gz HWEREPDJBZRBCR-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198375 663581131 /nfs/dbraw/zinc/58/11/31/663581131.db2.gz HWEREPDJBZRBCR-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198375 663581133 /nfs/dbraw/zinc/58/11/33/663581133.db2.gz HWEREPDJBZRBCR-MWLCHTKSSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000198371 663581219 /nfs/dbraw/zinc/58/12/19/663581219.db2.gz HWEREPDJBZRBCR-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198371 663581222 /nfs/dbraw/zinc/58/12/22/663581222.db2.gz HWEREPDJBZRBCR-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198371 663581224 /nfs/dbraw/zinc/58/12/24/663581224.db2.gz HWEREPDJBZRBCR-KOLCDFICSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000198369 663581797 /nfs/dbraw/zinc/58/17/97/663581797.db2.gz HWEREPDJBZRBCR-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198369 663581799 /nfs/dbraw/zinc/58/17/99/663581799.db2.gz HWEREPDJBZRBCR-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cc2nnc[nH]2)C1 ZINC001000198369 663581800 /nfs/dbraw/zinc/58/18/00/663581800.db2.gz HWEREPDJBZRBCR-GXSJLCMTSA-N 1 1 306.370 -1.128 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1=O ZINC001032765764 663582999 /nfs/dbraw/zinc/58/29/99/663582999.db2.gz DOXSKRMKJYHJDN-QWRGUYRKSA-N 1 1 324.381 -1.016 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946536624 663583162 /nfs/dbraw/zinc/58/31/62/663583162.db2.gz RICHMDBHJGXPKW-HZSPNIEDSA-N 1 1 324.425 -1.027 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1=O ZINC001032766132 663583217 /nfs/dbraw/zinc/58/32/17/663583217.db2.gz SNOIZGFKHKQTPD-UWVGGRQHSA-N 1 1 310.354 -1.406 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1=O ZINC001032766132 663583218 /nfs/dbraw/zinc/58/32/18/663583218.db2.gz SNOIZGFKHKQTPD-UWVGGRQHSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1C(N)=O ZINC001032773125 663583705 /nfs/dbraw/zinc/58/37/05/663583705.db2.gz OTKYRMDYLTYXQC-GUBZILKMSA-N 1 1 305.338 -1.145 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1C(N)=O ZINC001032773125 663583709 /nfs/dbraw/zinc/58/37/09/663583709.db2.gz OTKYRMDYLTYXQC-GUBZILKMSA-N 1 1 305.338 -1.145 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N(CC(N)=O)C2CCOCC2)C1 ZINC000921734553 663583968 /nfs/dbraw/zinc/58/39/68/663583968.db2.gz KPUGYWUESUOPIT-UHFFFAOYSA-N 1 1 312.414 -1.027 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032773448 663584106 /nfs/dbraw/zinc/58/41/06/663584106.db2.gz XASMYTLWRRIXEW-UWVGGRQHSA-N 1 1 305.338 -1.143 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032773448 663584110 /nfs/dbraw/zinc/58/41/10/663584110.db2.gz XASMYTLWRRIXEW-UWVGGRQHSA-N 1 1 305.338 -1.143 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032770337 663584352 /nfs/dbraw/zinc/58/43/52/663584352.db2.gz UEZPPJXONDWEAA-GARJFASQSA-N 1 1 310.354 -1.358 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001032780616 663585073 /nfs/dbraw/zinc/58/50/73/663585073.db2.gz SYQQCHYJUCAQAW-GUBZILKMSA-N 1 1 308.338 -1.235 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000331099 663585471 /nfs/dbraw/zinc/58/54/71/663585471.db2.gz UCOZGGJCVIWBQW-SCZZXKLOSA-N 1 1 322.325 -1.252 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206952 663585927 /nfs/dbraw/zinc/58/59/27/663585927.db2.gz BFDJLOINNPOEGK-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206952 663585928 /nfs/dbraw/zinc/58/59/28/663585928.db2.gz BFDJLOINNPOEGK-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206955 663585939 /nfs/dbraw/zinc/58/59/39/663585939.db2.gz BFDJLOINNPOEGK-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016206955 663585940 /nfs/dbraw/zinc/58/59/40/663585940.db2.gz BFDJLOINNPOEGK-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016207617 663586968 /nfs/dbraw/zinc/58/69/68/663586968.db2.gz GBLVCMXMDDPMTE-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016207617 663586970 /nfs/dbraw/zinc/58/69/70/663586970.db2.gz GBLVCMXMDDPMTE-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001000529764 663587958 /nfs/dbraw/zinc/58/79/58/663587958.db2.gz CDUGMLSCOZCUBG-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cnnn3)C2)nn1 ZINC001000540110 663588030 /nfs/dbraw/zinc/58/80/30/663588030.db2.gz WZONNJUWDHXNMG-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000595009 663589334 /nfs/dbraw/zinc/58/93/34/663589334.db2.gz YVWGSAYEUHWZNE-WCQYABFASA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2C)CC1 ZINC001000595009 663589339 /nfs/dbraw/zinc/58/93/39/663589339.db2.gz YVWGSAYEUHWZNE-WCQYABFASA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000546321 663589439 /nfs/dbraw/zinc/58/94/39/663589439.db2.gz HASBGZVVNCSEKS-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001000546321 663589441 /nfs/dbraw/zinc/58/94/41/663589441.db2.gz HASBGZVVNCSEKS-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217212 663590381 /nfs/dbraw/zinc/59/03/81/663590381.db2.gz RVJOCTULOXLVKW-KOLCDFICSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217212 663590385 /nfs/dbraw/zinc/59/03/85/663590385.db2.gz RVJOCTULOXLVKW-KOLCDFICSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217216 663590505 /nfs/dbraw/zinc/59/05/05/663590505.db2.gz RVJOCTULOXLVKW-MWLCHTKSSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001016217216 663590506 /nfs/dbraw/zinc/59/05/06/663590506.db2.gz RVJOCTULOXLVKW-MWLCHTKSSA-N 1 1 311.386 -1.159 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001000685018 663590716 /nfs/dbraw/zinc/59/07/16/663590716.db2.gz ASHVZNZFGWEIGY-VHSXEESVSA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001000685018 663590719 /nfs/dbraw/zinc/59/07/19/663590719.db2.gz ASHVZNZFGWEIGY-VHSXEESVSA-N 1 1 306.370 -1.025 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001042025 663593283 /nfs/dbraw/zinc/59/32/83/663593283.db2.gz XPPPCMRAWRWCSV-LBPRGKRZSA-N 1 1 323.397 -1.154 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001042025 663593285 /nfs/dbraw/zinc/59/32/85/663593285.db2.gz XPPPCMRAWRWCSV-LBPRGKRZSA-N 1 1 323.397 -1.154 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001040833 663593630 /nfs/dbraw/zinc/59/36/30/663593630.db2.gz QNSSZZUHBYZQLA-NSHDSACASA-N 1 1 309.370 -1.496 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001040833 663593635 /nfs/dbraw/zinc/59/36/35/663593635.db2.gz QNSSZZUHBYZQLA-NSHDSACASA-N 1 1 309.370 -1.496 20 0 DAADMO CN1C[C@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001001044072 663593804 /nfs/dbraw/zinc/59/38/04/663593804.db2.gz NVXAOMMZRYKKLU-NEPJUHHUSA-N 1 1 321.381 -1.353 20 0 DAADMO CN1C[C@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001001044072 663593806 /nfs/dbraw/zinc/59/38/06/663593806.db2.gz NVXAOMMZRYKKLU-NEPJUHHUSA-N 1 1 321.381 -1.353 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001035257 663594116 /nfs/dbraw/zinc/59/41/16/663594116.db2.gz FWWDNTGJBQKBSF-PWSUYJOCSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001035257 663594119 /nfs/dbraw/zinc/59/41/19/663594119.db2.gz FWWDNTGJBQKBSF-PWSUYJOCSA-N 1 1 323.397 -1.107 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001039263 663594198 /nfs/dbraw/zinc/59/41/98/663594198.db2.gz JSFDTUFNLSEPGV-GXSJLCMTSA-N 1 1 309.370 -1.368 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001039263 663594202 /nfs/dbraw/zinc/59/42/02/663594202.db2.gz JSFDTUFNLSEPGV-GXSJLCMTSA-N 1 1 309.370 -1.368 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@@H]3CCCNC3=O)CC2)n1 ZINC001001058018 663594373 /nfs/dbraw/zinc/59/43/73/663594373.db2.gz VRWGNBOGCASLJH-LLVKDONJSA-N 1 1 319.369 -1.149 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001035256 663594391 /nfs/dbraw/zinc/59/43/91/663594391.db2.gz FWWDNTGJBQKBSF-JQWIXIFHSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001001035256 663594394 /nfs/dbraw/zinc/59/43/94/663594394.db2.gz FWWDNTGJBQKBSF-JQWIXIFHSA-N 1 1 323.397 -1.107 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)n(C)c1=O ZINC001032805277 663594888 /nfs/dbraw/zinc/59/48/88/663594888.db2.gz LUGBXYHMSUNIKS-DCAQKATOSA-N 1 1 319.365 -1.489 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)n(C)c1=O ZINC001032805277 663594891 /nfs/dbraw/zinc/59/48/91/663594891.db2.gz LUGBXYHMSUNIKS-DCAQKATOSA-N 1 1 319.365 -1.489 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001105205 663594899 /nfs/dbraw/zinc/59/48/99/663594899.db2.gz JPEYHRMSUFKFOM-MWLCHTKSSA-N 1 1 309.370 -1.449 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001105205 663594900 /nfs/dbraw/zinc/59/49/00/663594900.db2.gz JPEYHRMSUFKFOM-MWLCHTKSSA-N 1 1 309.370 -1.449 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802887 663594908 /nfs/dbraw/zinc/59/49/08/663594908.db2.gz RFNSTPGFWSFFPI-UTLUCORTSA-N 1 1 308.342 -1.957 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802887 663594909 /nfs/dbraw/zinc/59/49/09/663594909.db2.gz RFNSTPGFWSFFPI-UTLUCORTSA-N 1 1 308.342 -1.957 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001104706 663595377 /nfs/dbraw/zinc/59/53/77/663595377.db2.gz IKFQGZTWHNJHIG-MNOVXSKESA-N 1 1 309.370 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001105203 663595399 /nfs/dbraw/zinc/59/53/99/663595399.db2.gz JPEYHRMSUFKFOM-GXSJLCMTSA-N 1 1 309.370 -1.449 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001105203 663595401 /nfs/dbraw/zinc/59/54/01/663595401.db2.gz JPEYHRMSUFKFOM-GXSJLCMTSA-N 1 1 309.370 -1.449 20 0 DAADMO Cn1nccc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001133435 663595814 /nfs/dbraw/zinc/59/58/14/663595814.db2.gz LNOGZZNBNCOKAJ-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1nccc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001133435 663595821 /nfs/dbraw/zinc/59/58/21/663595821.db2.gz LNOGZZNBNCOKAJ-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001108101 663596066 /nfs/dbraw/zinc/59/60/66/663596066.db2.gz ZJPICJKBQHTWMT-JQWIXIFHSA-N 1 1 323.397 -1.107 20 0 DAADMO Cn1nccc1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001133434 663596172 /nfs/dbraw/zinc/59/61/72/663596172.db2.gz LNOGZZNBNCOKAJ-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1nccc1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001133434 663596177 /nfs/dbraw/zinc/59/61/77/663596177.db2.gz LNOGZZNBNCOKAJ-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114580 663596277 /nfs/dbraw/zinc/59/62/77/663596277.db2.gz JGERCQKCHHHKHU-WDEREUQCSA-N 1 1 307.354 -1.695 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114580 663596278 /nfs/dbraw/zinc/59/62/78/663596278.db2.gz JGERCQKCHHHKHU-WDEREUQCSA-N 1 1 307.354 -1.695 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001001223316 663597103 /nfs/dbraw/zinc/59/71/03/663597103.db2.gz SFJRLIDZZGAPHU-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001001223278 663597125 /nfs/dbraw/zinc/59/71/25/663597125.db2.gz RVJJRTLXSCGQIQ-MNOVXSKESA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001001219312 663597170 /nfs/dbraw/zinc/59/71/70/663597170.db2.gz RACNNUNREPTKDY-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216326 663597242 /nfs/dbraw/zinc/59/72/42/663597242.db2.gz ODQFWNXPYXIISR-JTQLQIEISA-N 1 1 323.353 -1.921 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216326 663597245 /nfs/dbraw/zinc/59/72/45/663597245.db2.gz ODQFWNXPYXIISR-JTQLQIEISA-N 1 1 323.353 -1.921 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC001001218042 663597370 /nfs/dbraw/zinc/59/73/70/663597370.db2.gz JDPSGWAHIFLPOX-NWDGAFQWSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)Cn2nccn2)C1 ZINC001001224692 663597504 /nfs/dbraw/zinc/59/75/04/663597504.db2.gz ZDXIVOIJFOHQDV-LBPRGKRZSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001263538 663598508 /nfs/dbraw/zinc/59/85/08/663598508.db2.gz LXRYRVGGQTVIJM-UHFFFAOYSA-N 1 1 308.338 -1.727 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001263538 663598511 /nfs/dbraw/zinc/59/85/11/663598511.db2.gz LXRYRVGGQTVIJM-UHFFFAOYSA-N 1 1 308.338 -1.727 20 0 DAADMO CN1CC[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)S1(=O)=O ZINC001001254193 663598729 /nfs/dbraw/zinc/59/87/29/663598729.db2.gz JEGVUCPHDPATRC-GFCCVEGCSA-N 1 1 317.411 -1.239 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001256760 663598869 /nfs/dbraw/zinc/59/88/69/663598869.db2.gz KLNQOMGJHPIKRA-SECBINFHSA-N 1 1 322.365 -1.339 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001256760 663598871 /nfs/dbraw/zinc/59/88/71/663598871.db2.gz KLNQOMGJHPIKRA-SECBINFHSA-N 1 1 322.365 -1.339 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297064 663599086 /nfs/dbraw/zinc/59/90/86/663599086.db2.gz QGXWXXRSEKZIMJ-LLVKDONJSA-N 1 1 322.369 -1.368 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297064 663599091 /nfs/dbraw/zinc/59/90/91/663599091.db2.gz QGXWXXRSEKZIMJ-LLVKDONJSA-N 1 1 322.369 -1.368 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001001295000 663599233 /nfs/dbraw/zinc/59/92/33/663599233.db2.gz DAKXHQISLMNVBA-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]c3)C2)C1 ZINC001001295000 663599238 /nfs/dbraw/zinc/59/92/38/663599238.db2.gz DAKXHQISLMNVBA-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ccncn3)C2)C1 ZINC001001296213 663599403 /nfs/dbraw/zinc/59/94/03/663599403.db2.gz LCAMXDPPYUZOHK-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ccncn3)C2)C1 ZINC001001296213 663599405 /nfs/dbraw/zinc/59/94/05/663599405.db2.gz LCAMXDPPYUZOHK-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001001296624 663599430 /nfs/dbraw/zinc/59/94/30/663599430.db2.gz NTBWQNAPENYLCN-LLVKDONJSA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001001296624 663599434 /nfs/dbraw/zinc/59/94/34/663599434.db2.gz NTBWQNAPENYLCN-LLVKDONJSA-N 1 1 308.342 -1.677 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC001001294538 663599953 /nfs/dbraw/zinc/59/99/53/663599953.db2.gz BUWWSLUVMIXEAN-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC001001294538 663599958 /nfs/dbraw/zinc/59/99/58/663599958.db2.gz BUWWSLUVMIXEAN-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001001385045 663600708 /nfs/dbraw/zinc/60/07/08/663600708.db2.gz YXTIRKVAKSPTOY-NWDGAFQWSA-N 1 1 306.366 -1.098 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001001385045 663600709 /nfs/dbraw/zinc/60/07/09/663600709.db2.gz YXTIRKVAKSPTOY-NWDGAFQWSA-N 1 1 306.366 -1.098 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001302844 663600811 /nfs/dbraw/zinc/60/08/11/663600811.db2.gz LXDMKULMSFBCOH-NSHDSACASA-N 1 1 322.369 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001302844 663600814 /nfs/dbraw/zinc/60/08/14/663600814.db2.gz LXDMKULMSFBCOH-NSHDSACASA-N 1 1 322.369 -1.748 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001312095 663600831 /nfs/dbraw/zinc/60/08/31/663600831.db2.gz RJUBDFJMMDYEJQ-UONOGXRCSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001303493 663600914 /nfs/dbraw/zinc/60/09/14/663600914.db2.gz PDXNSVTUFNXKNA-GRYCIOLGSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001303493 663600919 /nfs/dbraw/zinc/60/09/19/663600919.db2.gz PDXNSVTUFNXKNA-GRYCIOLGSA-N 1 1 324.381 -1.987 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ccnnc3)C2)C1 ZINC001001313127 663600964 /nfs/dbraw/zinc/60/09/64/663600964.db2.gz VNJIWPPRTFXHDJ-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ccnnc3)C2)C1 ZINC001001313127 663600968 /nfs/dbraw/zinc/60/09/68/663600968.db2.gz VNJIWPPRTFXHDJ-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001302843 663600980 /nfs/dbraw/zinc/60/09/80/663600980.db2.gz LXDMKULMSFBCOH-LLVKDONJSA-N 1 1 322.369 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001302843 663600985 /nfs/dbraw/zinc/60/09/85/663600985.db2.gz LXDMKULMSFBCOH-LLVKDONJSA-N 1 1 322.369 -1.748 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001455901 663601301 /nfs/dbraw/zinc/60/13/01/663601301.db2.gz FLBAXDYMHXMJJJ-PWSUYJOCSA-N 1 1 317.411 -1.193 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001455897 663601832 /nfs/dbraw/zinc/60/18/32/663601832.db2.gz FLBAXDYMHXMJJJ-CMPLNLGQSA-N 1 1 317.411 -1.193 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001463806 663602074 /nfs/dbraw/zinc/60/20/74/663602074.db2.gz VTVZAVMUMDQWRS-CYBMUJFWSA-N 1 1 324.381 -1.533 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001463806 663602080 /nfs/dbraw/zinc/60/20/80/663602080.db2.gz VTVZAVMUMDQWRS-CYBMUJFWSA-N 1 1 324.381 -1.533 20 0 DAADMO COCC[N@@H+]1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001001471581 663602521 /nfs/dbraw/zinc/60/25/21/663602521.db2.gz KJDCYYPUPALKMG-UHFFFAOYSA-N 1 1 322.369 -1.228 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001674525 663605215 /nfs/dbraw/zinc/60/52/15/663605215.db2.gz QQURAXHNRPYQMI-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1nnc(C(=O)NCC2CC[NH+](Cc3cnnn3C)CC2)n1 ZINC001001726599 663606838 /nfs/dbraw/zinc/60/68/38/663606838.db2.gz IXIXCMAWUHYEIG-UHFFFAOYSA-N 1 1 319.373 -1.019 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001001818752 663611196 /nfs/dbraw/zinc/61/11/96/663611196.db2.gz RVMVYYQYXJSIQR-ZNSHCXBVSA-N 1 1 310.354 -1.950 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001001818752 663611199 /nfs/dbraw/zinc/61/11/99/663611199.db2.gz RVMVYYQYXJSIQR-ZNSHCXBVSA-N 1 1 310.354 -1.950 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001975911 663611540 /nfs/dbraw/zinc/61/15/40/663611540.db2.gz GXHXEXWFJJTVTJ-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001001906760 663611589 /nfs/dbraw/zinc/61/15/89/663611589.db2.gz GKRKWBPJGJWDPP-RYUDHWBXSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001001977219 663611897 /nfs/dbraw/zinc/61/18/97/663611897.db2.gz LWFOOCNRRSCENV-LLVKDONJSA-N 1 1 322.369 -1.490 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001001998407 663612057 /nfs/dbraw/zinc/61/20/57/663612057.db2.gz MTFRHLDRGNYUNZ-WDEREUQCSA-N 1 1 309.370 -1.806 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001001980184 663612222 /nfs/dbraw/zinc/61/22/22/663612222.db2.gz WFLUFIPBTFEKLC-LLVKDONJSA-N 1 1 317.411 -1.443 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001002001465 663612258 /nfs/dbraw/zinc/61/22/58/663612258.db2.gz QGJZVWGFYWFRHG-CHWSQXEVSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001001999248 663612363 /nfs/dbraw/zinc/61/23/63/663612363.db2.gz PYBPZFHMSVLJJG-LLVKDONJSA-N 1 1 306.370 -1.127 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001001999248 663612365 /nfs/dbraw/zinc/61/23/65/663612365.db2.gz PYBPZFHMSVLJJG-LLVKDONJSA-N 1 1 306.370 -1.127 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001001999248 663612367 /nfs/dbraw/zinc/61/23/67/663612367.db2.gz PYBPZFHMSVLJJG-LLVKDONJSA-N 1 1 306.370 -1.127 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001977908 663612466 /nfs/dbraw/zinc/61/24/66/663612466.db2.gz NXYYDVVIVRXACH-LLVKDONJSA-N 1 1 306.370 -1.045 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001980165 663612535 /nfs/dbraw/zinc/61/25/35/663612535.db2.gz VRBLLMCDCUWDKB-ZIAGYGMSSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC001002240437 663613324 /nfs/dbraw/zinc/61/33/24/663613324.db2.gz ZCIOVWZQNYGXMQ-YUSALJHKSA-N 1 1 323.397 -1.417 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)C1 ZINC001002291423 663613735 /nfs/dbraw/zinc/61/37/35/663613735.db2.gz PHFLUORPGOIXJQ-NSHDSACASA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)C1 ZINC001002291423 663613737 /nfs/dbraw/zinc/61/37/37/663613737.db2.gz PHFLUORPGOIXJQ-NSHDSACASA-N 1 1 312.370 -1.843 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002398514 663614639 /nfs/dbraw/zinc/61/46/39/663614639.db2.gz SONXYZNBXCMFIK-RYUDHWBXSA-N 1 1 324.381 -1.700 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001002411210 663615040 /nfs/dbraw/zinc/61/50/40/663615040.db2.gz ZIKSLPSUMVRMGY-QWRGUYRKSA-N 1 1 310.354 -2.091 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001002645803 663617588 /nfs/dbraw/zinc/61/75/88/663617588.db2.gz ZBMNXNLCIOIOAP-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827041 663617731 /nfs/dbraw/zinc/61/77/31/663617731.db2.gz WSWSRSBLROQLAR-LPEHRKFASA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032827041 663617734 /nfs/dbraw/zinc/61/77/34/663617734.db2.gz WSWSRSBLROQLAR-LPEHRKFASA-N 1 1 323.353 -1.994 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC000358077427 663619317 /nfs/dbraw/zinc/61/93/17/663619317.db2.gz XEVPZUJKZLKPKN-QMTHXVAHSA-N 1 1 307.354 -1.055 20 0 DAADMO COCCn1cc(C(=O)NC2CC[NH+]([C@H](C)C(N)=O)CC2)nn1 ZINC001002791360 663619341 /nfs/dbraw/zinc/61/93/41/663619341.db2.gz HEVRQZHWOUCQQU-SNVBAGLBSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)NC2CC[NH+]([C@@H](C)C(N)=O)CC2)nn1 ZINC001002791356 663619360 /nfs/dbraw/zinc/61/93/60/663619360.db2.gz HEVRQZHWOUCQQU-JTQLQIEISA-N 1 1 324.385 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC001002836377 663619463 /nfs/dbraw/zinc/61/94/63/663619463.db2.gz WIEPTTWTIOZGMC-MXWKQRLJSA-N 1 1 305.338 -1.075 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)O1 ZINC001002878970 663619635 /nfs/dbraw/zinc/61/96/35/663619635.db2.gz DDGULFZZJAHLPO-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)O1 ZINC001002878970 663619637 /nfs/dbraw/zinc/61/96/37/663619637.db2.gz DDGULFZZJAHLPO-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC001002880153 663619715 /nfs/dbraw/zinc/61/97/15/663619715.db2.gz JYUKSLZDDKDHCT-MWLCHTKSSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC001002880153 663619718 /nfs/dbraw/zinc/61/97/18/663619718.db2.gz JYUKSLZDDKDHCT-MWLCHTKSSA-N 1 1 322.369 -1.288 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001016342111 663619819 /nfs/dbraw/zinc/61/98/19/663619819.db2.gz ZWUMMVUAHVHUEH-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)O1 ZINC001002883531 663619960 /nfs/dbraw/zinc/61/99/60/663619960.db2.gz IVEXLOJEPNUNFS-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(C(=O)CC(N)=O)C2)O1 ZINC001002883531 663619961 /nfs/dbraw/zinc/61/99/61/663619961.db2.gz IVEXLOJEPNUNFS-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO Cc1nonc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001002930201 663621454 /nfs/dbraw/zinc/62/14/54/663621454.db2.gz WPWGGUOXNMDPJF-NSHDSACASA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1nonc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001002930201 663621455 /nfs/dbraw/zinc/62/14/55/663621455.db2.gz WPWGGUOXNMDPJF-NSHDSACASA-N 1 1 323.353 -1.103 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001002952705 663621694 /nfs/dbraw/zinc/62/16/94/663621694.db2.gz HMVDSWYCESUKEC-ZJUUUORDSA-N 1 1 324.381 -1.022 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352610 663621762 /nfs/dbraw/zinc/62/17/62/663621762.db2.gz CKKQNNYTQFEXJI-VHSXEESVSA-N 1 1 309.370 -1.338 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352610 663621765 /nfs/dbraw/zinc/62/17/65/663621765.db2.gz CKKQNNYTQFEXJI-VHSXEESVSA-N 1 1 309.370 -1.338 20 0 DAADMO C[N@H+](CCNC(=O)C1CN([C@@H]2CCOC2)C1)CCOCCO ZINC000922111825 663621884 /nfs/dbraw/zinc/62/18/84/663621884.db2.gz NGXNUDKWXNEMOQ-CQSZACIVSA-N 1 1 315.414 -1.236 20 0 DAADMO C[N@@H+](CCNC(=O)C1CN([C@@H]2CCOC2)C1)CCOCCO ZINC000922111825 663621887 /nfs/dbraw/zinc/62/18/87/663621887.db2.gz NGXNUDKWXNEMOQ-CQSZACIVSA-N 1 1 315.414 -1.236 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922111379 663622074 /nfs/dbraw/zinc/62/20/74/663622074.db2.gz UNTWWTWORCJSIN-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2CN(C(=O)CC(N)=O)C2)no1 ZINC001002986379 663622124 /nfs/dbraw/zinc/62/21/24/663622124.db2.gz QLTDAEDHOUXJBF-UHFFFAOYSA-N 1 1 323.353 -1.200 20 0 DAADMO CN1CC[C@@](C)(C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922112162 663622352 /nfs/dbraw/zinc/62/23/52/663622352.db2.gz PXABNFVOBPJPDZ-AWEZNQCLSA-N 1 1 301.387 -1.088 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001032833057 663622399 /nfs/dbraw/zinc/62/23/99/663622399.db2.gz NKNBWZFUBSLBBV-AVGNSLFASA-N 1 1 321.381 -1.287 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)CC1=O ZINC000922122390 663622860 /nfs/dbraw/zinc/62/28/60/663622860.db2.gz GDOPYWXDIWXXRH-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003003295 663622866 /nfs/dbraw/zinc/62/28/66/663622866.db2.gz XWSHTUIKLBDBND-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H](O)C1CCOCC1)CCOCCO ZINC000922125965 663622934 /nfs/dbraw/zinc/62/29/34/663622934.db2.gz XALMJJKTUXTYKK-ZDUSSCGKSA-N 1 1 304.387 -1.169 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCNC1=O)CCOCCO ZINC000922124049 663623058 /nfs/dbraw/zinc/62/30/58/663623058.db2.gz TVWUZLUAUXGDPE-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003003290 663623064 /nfs/dbraw/zinc/62/30/64/663623064.db2.gz XWSHTUIKLBDBND-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000922158592 663623826 /nfs/dbraw/zinc/62/38/26/663623826.db2.gz JSKFYAIFAXIVLX-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000922158589 663624518 /nfs/dbraw/zinc/62/45/18/663624518.db2.gz JSKFYAIFAXIVLX-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001003185428 663625697 /nfs/dbraw/zinc/62/56/97/663625697.db2.gz GKMOLIXZARYYDM-VIFPVBQESA-N 1 1 322.369 -1.388 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001003194587 663625734 /nfs/dbraw/zinc/62/57/34/663625734.db2.gz WPQKEZHKRGTMCN-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC001003194587 663625736 /nfs/dbraw/zinc/62/57/36/663625736.db2.gz WPQKEZHKRGTMCN-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)NC1 ZINC001003225216 663625769 /nfs/dbraw/zinc/62/57/69/663625769.db2.gz IOZSJOGPGONXMX-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001003206721 663625953 /nfs/dbraw/zinc/62/59/53/663625953.db2.gz CFTHXSHRBKCKGZ-SECBINFHSA-N 1 1 310.358 -1.964 20 0 DAADMO O=C(CN1CCCNC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003239129 663626400 /nfs/dbraw/zinc/62/64/00/663626400.db2.gz ZJNUISJIUIOPTE-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2CCCNC2=O)CC1 ZINC001003239135 663626478 /nfs/dbraw/zinc/62/64/78/663626478.db2.gz ZLCBVTFGQSQZTQ-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032837084 663627035 /nfs/dbraw/zinc/62/70/35/663627035.db2.gz OIXCHHSHHGBXRZ-HRDYMLBCSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032837084 663627036 /nfs/dbraw/zinc/62/70/36/663627036.db2.gz OIXCHHSHHGBXRZ-HRDYMLBCSA-N 1 1 309.326 -2.337 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837105 663627359 /nfs/dbraw/zinc/62/73/59/663627359.db2.gz WSWSRSBLROQLAR-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)C1=O ZINC001032837105 663627366 /nfs/dbraw/zinc/62/73/66/663627366.db2.gz WSWSRSBLROQLAR-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001003338921 663627575 /nfs/dbraw/zinc/62/75/75/663627575.db2.gz MANHYFQNKPOCEJ-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032839458 663627809 /nfs/dbraw/zinc/62/78/09/663627809.db2.gz WOVYXCZRNXTRNQ-OUAUKWLOSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032839458 663627810 /nfs/dbraw/zinc/62/78/10/663627810.db2.gz WOVYXCZRNXTRNQ-OUAUKWLOSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032839945 663628056 /nfs/dbraw/zinc/62/80/56/663628056.db2.gz WOVYXCZRNXTRNQ-MXWKQRLJSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032839945 663628058 /nfs/dbraw/zinc/62/80/58/663628058.db2.gz WOVYXCZRNXTRNQ-MXWKQRLJSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032839944 663628378 /nfs/dbraw/zinc/62/83/78/663628378.db2.gz WOVYXCZRNXTRNQ-GMTAPVOTSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032839944 663628380 /nfs/dbraw/zinc/62/83/80/663628380.db2.gz WOVYXCZRNXTRNQ-GMTAPVOTSA-N 1 1 322.365 -1.397 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1)N1CCC1 ZINC001003429057 663628763 /nfs/dbraw/zinc/62/87/63/663628763.db2.gz REJSXRPXQVNANG-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001003423174 663628767 /nfs/dbraw/zinc/62/87/67/663628767.db2.gz AFLAQQSCUKIMSS-SNVBAGLBSA-N 1 1 311.386 -2.127 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC001003424638 663628944 /nfs/dbraw/zinc/62/89/44/663628944.db2.gz WMIWOTNIEIWDQQ-UHFFFAOYSA-N 1 1 311.386 -2.255 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841832 663629084 /nfs/dbraw/zinc/62/90/84/663629084.db2.gz BHJATJDCFHNOJN-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841832 663629085 /nfs/dbraw/zinc/62/90/85/663629085.db2.gz BHJATJDCFHNOJN-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032841884 663629111 /nfs/dbraw/zinc/62/91/11/663629111.db2.gz QBONPSPCQIMEJL-KXUCPTDWSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032841884 663629112 /nfs/dbraw/zinc/62/91/12/663629112.db2.gz QBONPSPCQIMEJL-KXUCPTDWSA-N 1 1 323.353 -1.994 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)n1 ZINC001003446748 663629412 /nfs/dbraw/zinc/62/94/12/663629412.db2.gz FAARYTZVZKRNRX-UHFFFAOYSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC001003452724 663629703 /nfs/dbraw/zinc/62/97/03/663629703.db2.gz KLLXZPWXPVBCEA-UHFFFAOYSA-N 1 1 307.358 -1.317 20 0 DAADMO C[C@H]1CN(C(=O)C[NH+]2CCC(NC(=O)C(N)=O)CC2)CCO1 ZINC001003538488 663630446 /nfs/dbraw/zinc/63/04/46/663630446.db2.gz AGZMXKCJGCROET-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH+]2CCC(NC(=O)C(N)=O)CC2)CCO1 ZINC001003538491 663630454 /nfs/dbraw/zinc/63/04/54/663630454.db2.gz AGZMXKCJGCROET-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001032843381 663630493 /nfs/dbraw/zinc/63/04/93/663630493.db2.gz NKNBWZFUBSLBBV-UPJWGTAASA-N 1 1 321.381 -1.287 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001003534100 663630503 /nfs/dbraw/zinc/63/05/03/663630503.db2.gz FCZNAKCGWOKSRV-UHFFFAOYSA-N 1 1 311.342 -2.989 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003554628 663631748 /nfs/dbraw/zinc/63/17/48/663631748.db2.gz ZNHHTTKYTIUXMA-VXGBXAGGSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003554628 663631749 /nfs/dbraw/zinc/63/17/49/663631749.db2.gz ZNHHTTKYTIUXMA-VXGBXAGGSA-N 1 1 324.381 -1.972 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC001003568779 663633087 /nfs/dbraw/zinc/63/30/87/663633087.db2.gz CBEZTTQJMKTSPL-NEPJUHHUSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)NC1=O ZINC001003568781 663633223 /nfs/dbraw/zinc/63/32/23/663633223.db2.gz CBEZTTQJMKTSPL-RYUDHWBXSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CCNC1=O ZINC001003616530 663633995 /nfs/dbraw/zinc/63/39/95/663633995.db2.gz OAXFUGNXRAUBEF-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001003709882 663636225 /nfs/dbraw/zinc/63/62/25/663636225.db2.gz IDEHOFNUIQECKS-SNVBAGLBSA-N 1 1 323.357 -2.271 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001003709882 663636229 /nfs/dbraw/zinc/63/62/29/663636229.db2.gz IDEHOFNUIQECKS-SNVBAGLBSA-N 1 1 323.357 -2.271 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003709657 663636585 /nfs/dbraw/zinc/63/65/85/663636585.db2.gz BMNPDFSBAAJNDB-UHFFFAOYSA-N 1 1 318.341 -1.397 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001003711065 663637271 /nfs/dbraw/zinc/63/72/71/663637271.db2.gz TZRCTGKDCCCHQC-SNVBAGLBSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003712211 663637619 /nfs/dbraw/zinc/63/76/19/663637619.db2.gz OFTRRYMPCUVATO-GXSJLCMTSA-N 1 1 321.385 -1.404 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003712215 663637690 /nfs/dbraw/zinc/63/76/90/663637690.db2.gz OFTRRYMPCUVATO-MWLCHTKSSA-N 1 1 321.385 -1.404 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c(=O)n(C)c1=O ZINC001003726181 663638407 /nfs/dbraw/zinc/63/84/07/663638407.db2.gz NCONPQHTZSSOTK-UHFFFAOYSA-N 1 1 323.353 -2.237 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001003724503 663638439 /nfs/dbraw/zinc/63/84/39/663638439.db2.gz NWTKFMVBCMGWGQ-RQJABVFESA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001003724503 663638442 /nfs/dbraw/zinc/63/84/42/663638442.db2.gz NWTKFMVBCMGWGQ-RQJABVFESA-N 1 1 323.393 -1.216 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003760036 663638793 /nfs/dbraw/zinc/63/87/93/663638793.db2.gz UHMYPESEZMLVOM-UHFFFAOYSA-N 1 1 309.374 -1.138 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccncn3)C2)C1 ZINC001003791734 663639403 /nfs/dbraw/zinc/63/94/03/663639403.db2.gz XENZMPBANUKTIA-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3ccncn3)C2)C1 ZINC001003791734 663639405 /nfs/dbraw/zinc/63/94/05/663639405.db2.gz XENZMPBANUKTIA-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C(N)=O)C2)C1 ZINC001003793087 663639441 /nfs/dbraw/zinc/63/94/41/663639441.db2.gz ISSJZUYTKGWOAQ-LLVKDONJSA-N 1 1 312.370 -1.845 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001032890942 663639806 /nfs/dbraw/zinc/63/98/06/663639806.db2.gz AYGSVLBIVAAKCY-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2nc3ncccn3n2)CC1 ZINC001003817957 663639862 /nfs/dbraw/zinc/63/98/62/663639862.db2.gz SNSABTDFOHOINR-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001032894519 663640396 /nfs/dbraw/zinc/64/03/96/663640396.db2.gz XVQCHOKPSSZGAL-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001032894469 663640413 /nfs/dbraw/zinc/64/04/13/663640413.db2.gz WQSCWBIJKMCMHC-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1)C1CC1 ZINC001032894543 663640760 /nfs/dbraw/zinc/64/07/60/663640760.db2.gz YRPBZJOQQHYJTP-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1)C1CC1 ZINC001032894543 663640763 /nfs/dbraw/zinc/64/07/63/663640763.db2.gz YRPBZJOQQHYJTP-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032897951 663640808 /nfs/dbraw/zinc/64/08/08/663640808.db2.gz QQWUXNDDMINRJN-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001032897951 663640810 /nfs/dbraw/zinc/64/08/10/663640810.db2.gz QQWUXNDDMINRJN-NXEZZACHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001032894468 663640823 /nfs/dbraw/zinc/64/08/23/663640823.db2.gz WQSCWBIJKMCMHC-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894004 663640841 /nfs/dbraw/zinc/64/08/41/663640841.db2.gz RWUGZLBVYHWNOI-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894004 663640842 /nfs/dbraw/zinc/64/08/42/663640842.db2.gz RWUGZLBVYHWNOI-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032896267 663640854 /nfs/dbraw/zinc/64/08/54/663640854.db2.gz FXVMQECOCAHFRF-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032896267 663640855 /nfs/dbraw/zinc/64/08/55/663640855.db2.gz FXVMQECOCAHFRF-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894021 663640858 /nfs/dbraw/zinc/64/08/58/663640858.db2.gz SDFVXWFJWFBIRO-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894021 663640860 /nfs/dbraw/zinc/64/08/60/663640860.db2.gz SDFVXWFJWFBIRO-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)CC[C@@H]2C1 ZINC000946573537 663641592 /nfs/dbraw/zinc/64/15/92/663641592.db2.gz VNHDYHWCONIQBR-OUAUKWLOSA-N 1 1 310.354 -1.250 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(Cc2nnnn2C)C1 ZINC001032975719 663643123 /nfs/dbraw/zinc/64/31/23/663643123.db2.gz LBNGSLKECHNFMP-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(Cc2nnnn2C)C1 ZINC001032975719 663643124 /nfs/dbraw/zinc/64/31/24/663643124.db2.gz LBNGSLKECHNFMP-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(Cc2nnnn2C)C1 ZINC001032975720 663643239 /nfs/dbraw/zinc/64/32/39/663643239.db2.gz LBNGSLKECHNFMP-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(Cc2nnnn2C)C1 ZINC001032975720 663643240 /nfs/dbraw/zinc/64/32/40/663643240.db2.gz LBNGSLKECHNFMP-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003951108 663643539 /nfs/dbraw/zinc/64/35/39/663643539.db2.gz LRWZGDGFYOVMAR-NSHDSACASA-N 1 1 320.353 -1.552 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003951749 663643551 /nfs/dbraw/zinc/64/35/51/663643551.db2.gz YMLOGWCPECQEBY-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003950734 663643575 /nfs/dbraw/zinc/64/35/75/663643575.db2.gz KXIFSNORVMJZSV-QWRGUYRKSA-N 1 1 309.370 -1.806 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978135 663644049 /nfs/dbraw/zinc/64/40/49/663644049.db2.gz XIVFVUPEUGCPAH-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978135 663644052 /nfs/dbraw/zinc/64/40/52/663644052.db2.gz XIVFVUPEUGCPAH-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978131 663644204 /nfs/dbraw/zinc/64/42/04/663644204.db2.gz XIVFVUPEUGCPAH-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978131 663644206 /nfs/dbraw/zinc/64/42/06/663644206.db2.gz XIVFVUPEUGCPAH-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001033018171 663644435 /nfs/dbraw/zinc/64/44/35/663644435.db2.gz ADUBDHGMLCRCRO-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001033018171 663644437 /nfs/dbraw/zinc/64/44/37/663644437.db2.gz ADUBDHGMLCRCRO-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033018160 663644723 /nfs/dbraw/zinc/64/47/23/663644723.db2.gz ADUBDHGMLCRCRO-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033018160 663644725 /nfs/dbraw/zinc/64/47/25/663644725.db2.gz ADUBDHGMLCRCRO-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033027069 663645050 /nfs/dbraw/zinc/64/50/50/663645050.db2.gz STEIEDVAWRDSKQ-LLVKDONJSA-N 1 1 320.357 -1.192 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027135 663645102 /nfs/dbraw/zinc/64/51/02/663645102.db2.gz VIBZUQYMVQWHQK-VHSXEESVSA-N 1 1 310.358 -1.220 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033027135 663645105 /nfs/dbraw/zinc/64/51/05/663645105.db2.gz VIBZUQYMVQWHQK-VHSXEESVSA-N 1 1 310.358 -1.220 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033021709 663645273 /nfs/dbraw/zinc/64/52/73/663645273.db2.gz CSGJIHGAIRTJFT-UWVGGRQHSA-N 1 1 308.342 -1.595 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033021709 663645275 /nfs/dbraw/zinc/64/52/75/663645275.db2.gz CSGJIHGAIRTJFT-UWVGGRQHSA-N 1 1 308.342 -1.595 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033022731 663645359 /nfs/dbraw/zinc/64/53/59/663645359.db2.gz JDPLUNLFZOEUAC-WDEREUQCSA-N 1 1 324.385 -1.007 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033026182 663645597 /nfs/dbraw/zinc/64/55/97/663645597.db2.gz MKGPFAMMVXSAAJ-GHMZBOCLSA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033026182 663645598 /nfs/dbraw/zinc/64/55/98/663645598.db2.gz MKGPFAMMVXSAAJ-GHMZBOCLSA-N 1 1 322.369 -1.253 20 0 DAADMO Cc1nn(CC(=O)NC2CC[NH+]([C@H](C)C(N)=O)CC2)c(=O)n1C ZINC001004074826 663645602 /nfs/dbraw/zinc/64/56/02/663645602.db2.gz LGEGSJXDEBBOJM-SECBINFHSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001004112553 663645738 /nfs/dbraw/zinc/64/57/38/663645738.db2.gz FKJWJLUGBLBNAV-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO CN1CC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC001004110508 663645757 /nfs/dbraw/zinc/64/57/57/663645757.db2.gz HSHRJLKMGIIBNL-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004107154 663646143 /nfs/dbraw/zinc/64/61/43/663646143.db2.gz FFDCPVMGMAISHK-JTQLQIEISA-N 1 1 323.353 -1.993 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033049857 663646599 /nfs/dbraw/zinc/64/65/99/663646599.db2.gz YITXSZHPVKVXIG-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033049857 663646601 /nfs/dbraw/zinc/64/66/01/663646601.db2.gz YITXSZHPVKVXIG-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033044481 663646652 /nfs/dbraw/zinc/64/66/52/663646652.db2.gz FSRVQTVQBVGEMH-QWRGUYRKSA-N 1 1 308.342 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001004166784 663647010 /nfs/dbraw/zinc/64/70/10/663647010.db2.gz MEVMWQKWWZFZSB-WPRPVWTQSA-N 1 1 318.399 -1.868 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001004167420 663647301 /nfs/dbraw/zinc/64/73/01/663647301.db2.gz PTXVKYIDOXJQQT-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033062966 663647422 /nfs/dbraw/zinc/64/74/22/663647422.db2.gz PTGUSAZFLBZUMG-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033062966 663647429 /nfs/dbraw/zinc/64/74/29/663647429.db2.gz PTGUSAZFLBZUMG-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033063212 663647567 /nfs/dbraw/zinc/64/75/67/663647567.db2.gz VQLTWOBIIQVYQW-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033062967 663647629 /nfs/dbraw/zinc/64/76/29/663647629.db2.gz PTGUSAZFLBZUMG-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033062967 663647631 /nfs/dbraw/zinc/64/76/31/663647631.db2.gz PTGUSAZFLBZUMG-UWVGGRQHSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001033077842 663647691 /nfs/dbraw/zinc/64/76/91/663647691.db2.gz JEHARRJHPRWCOK-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001033077842 663647693 /nfs/dbraw/zinc/64/76/93/663647693.db2.gz JEHARRJHPRWCOK-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cccc(C(N)=O)n2)CC1 ZINC001004226231 663647726 /nfs/dbraw/zinc/64/77/26/663647726.db2.gz MWQOPQFSXLYTAB-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004276614 663647755 /nfs/dbraw/zinc/64/77/55/663647755.db2.gz CMICLNORYSLJFL-SECBINFHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087222 663647921 /nfs/dbraw/zinc/64/79/21/663647921.db2.gz OJTFHEROURGSTG-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087222 663647925 /nfs/dbraw/zinc/64/79/25/663647925.db2.gz OJTFHEROURGSTG-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033083856 663647947 /nfs/dbraw/zinc/64/79/47/663647947.db2.gz AQEQJBNZVNAPOA-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033083856 663647948 /nfs/dbraw/zinc/64/79/48/663647948.db2.gz AQEQJBNZVNAPOA-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085894 663647959 /nfs/dbraw/zinc/64/79/59/663647959.db2.gz KGJCSUSZQITAMB-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085894 663647960 /nfs/dbraw/zinc/64/79/60/663647960.db2.gz KGJCSUSZQITAMB-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086031 663647973 /nfs/dbraw/zinc/64/79/73/663647973.db2.gz KWODKWAMDDQPPE-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086031 663647974 /nfs/dbraw/zinc/64/79/74/663647974.db2.gz KWODKWAMDDQPPE-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033084110 663647979 /nfs/dbraw/zinc/64/79/79/663647979.db2.gz BIDNHIOHDQUPIH-LLVKDONJSA-N 1 1 322.373 -1.769 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086039 663647995 /nfs/dbraw/zinc/64/79/95/663647995.db2.gz KWODKWAMDDQPPE-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)Cn3ncnn3)C2)C1=O ZINC001033086039 663647996 /nfs/dbraw/zinc/64/79/96/663647996.db2.gz KWODKWAMDDQPPE-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085892 663648196 /nfs/dbraw/zinc/64/81/96/663648196.db2.gz KGJCSUSZQITAMB-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085892 663648200 /nfs/dbraw/zinc/64/82/00/663648200.db2.gz KGJCSUSZQITAMB-CMPLNLGQSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087233 663648234 /nfs/dbraw/zinc/64/82/34/663648234.db2.gz OJTFHEROURGSTG-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087233 663648236 /nfs/dbraw/zinc/64/82/36/663648236.db2.gz OJTFHEROURGSTG-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)CC[C@@H]2C1 ZINC000946591573 663648309 /nfs/dbraw/zinc/64/83/09/663648309.db2.gz ZRJGYJWPMVGQAV-TXEJJXNPSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033096196 663648446 /nfs/dbraw/zinc/64/84/46/663648446.db2.gz KSPIYNITBRJYBP-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000922703063 663648585 /nfs/dbraw/zinc/64/85/85/663648585.db2.gz UFLPBEPSYUBDGX-NXEZZACHSA-N 1 1 307.420 -1.226 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001004341310 663648680 /nfs/dbraw/zinc/64/86/80/663648680.db2.gz WOTUCFJDGPWSIM-LBPRGKRZSA-N 1 1 321.385 -1.139 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033110305 663649065 /nfs/dbraw/zinc/64/90/65/663649065.db2.gz DPLQUEWXCITVDD-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001004426900 663649089 /nfs/dbraw/zinc/64/90/89/663649089.db2.gz CPROWVUCKZOBQY-LBPRGKRZSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001004451912 663649621 /nfs/dbraw/zinc/64/96/21/663649621.db2.gz CQIGSPAVDZWWIO-ZYHUDNBSSA-N 1 1 321.385 -1.555 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001004451899 663649886 /nfs/dbraw/zinc/64/98/86/663649886.db2.gz CQIGSPAVDZWWIO-CMPLNLGQSA-N 1 1 321.385 -1.555 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001004451907 663649889 /nfs/dbraw/zinc/64/98/89/663649889.db2.gz CQIGSPAVDZWWIO-PWSUYJOCSA-N 1 1 321.385 -1.555 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001004472784 663650090 /nfs/dbraw/zinc/65/00/90/663650090.db2.gz OUVBRSCGOPUCSZ-NEPJUHHUSA-N 1 1 319.365 -1.112 20 0 DAADMO COCC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125233 663650884 /nfs/dbraw/zinc/65/08/84/663650884.db2.gz BOHWOENIVLTKAE-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033127827 663650892 /nfs/dbraw/zinc/65/08/92/663650892.db2.gz XFOGSXPNIKZQJW-GFCCVEGCSA-N 1 1 324.381 -1.538 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946628599 663651375 /nfs/dbraw/zinc/65/13/75/663651375.db2.gz ZYJVJPOKMODZFB-TUAOUCFPSA-N 1 1 324.381 -1.253 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001004532773 663651382 /nfs/dbraw/zinc/65/13/82/663651382.db2.gz VLFAVJWNNPJKHC-VXGBXAGGSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151570 663651849 /nfs/dbraw/zinc/65/18/49/663651849.db2.gz HELKSVSSWYEXOF-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151570 663651851 /nfs/dbraw/zinc/65/18/51/663651851.db2.gz HELKSVSSWYEXOF-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033152052 663652167 /nfs/dbraw/zinc/65/21/67/663652167.db2.gz JSTMZJJZPQHDTM-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033152052 663652168 /nfs/dbraw/zinc/65/21/68/663652168.db2.gz JSTMZJJZPQHDTM-RYUDHWBXSA-N 1 1 324.381 -1.734 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033157808 663652375 /nfs/dbraw/zinc/65/23/75/663652375.db2.gz SPVNTUTYBPXSDS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033157808 663652377 /nfs/dbraw/zinc/65/23/77/663652377.db2.gz SPVNTUTYBPXSDS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743651 663653818 /nfs/dbraw/zinc/65/38/18/663653818.db2.gz XTTZPBVDZRZDGB-WISYIIOYSA-N 1 1 323.397 -1.288 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCOC1 ZINC001038093676 663653823 /nfs/dbraw/zinc/65/38/23/663653823.db2.gz BCGVZYFAXAQNHL-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCOC1 ZINC001038093676 663653826 /nfs/dbraw/zinc/65/38/26/663653826.db2.gz BCGVZYFAXAQNHL-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCOC1 ZINC001038093674 663653884 /nfs/dbraw/zinc/65/38/84/663653884.db2.gz BCGVZYFAXAQNHL-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCOC1 ZINC001038093674 663653887 /nfs/dbraw/zinc/65/38/87/663653887.db2.gz BCGVZYFAXAQNHL-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCOC1 ZINC001038093670 663654011 /nfs/dbraw/zinc/65/40/11/663654011.db2.gz BCGVZYFAXAQNHL-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCOC1 ZINC001038093670 663654015 /nfs/dbraw/zinc/65/40/15/663654015.db2.gz BCGVZYFAXAQNHL-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946746525 663654181 /nfs/dbraw/zinc/65/41/81/663654181.db2.gz BHXNARLLYXQUND-OUAUKWLOSA-N 1 1 309.370 -1.677 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751972 663654199 /nfs/dbraw/zinc/65/41/99/663654199.db2.gz MUSWWANLCQQCRF-MXWKQRLJSA-N 1 1 321.385 -1.073 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2CC1 ZINC000946751736 663654441 /nfs/dbraw/zinc/65/44/41/663654441.db2.gz AZHPMXFZGHYDTN-PHIMTYICSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2CC1 ZINC000946747099 663654505 /nfs/dbraw/zinc/65/45/05/663654505.db2.gz LZPRCKNWCZSGHF-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033213857 663654792 /nfs/dbraw/zinc/65/47/92/663654792.db2.gz YQPBKBQOUXNWTK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033213857 663654794 /nfs/dbraw/zinc/65/47/94/663654794.db2.gz YQPBKBQOUXNWTK-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001033212116 663654862 /nfs/dbraw/zinc/65/48/62/663654862.db2.gz PXTMFZFEODOHIC-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207645 663655096 /nfs/dbraw/zinc/65/50/96/663655096.db2.gz NQUDBBCHIIHZQQ-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207645 663655099 /nfs/dbraw/zinc/65/50/99/663655099.db2.gz NQUDBBCHIIHZQQ-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033208865 663655137 /nfs/dbraw/zinc/65/51/37/663655137.db2.gz SYYHYWAWXBMPTQ-GHMZBOCLSA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033208865 663655138 /nfs/dbraw/zinc/65/51/38/663655138.db2.gz SYYHYWAWXBMPTQ-GHMZBOCLSA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033228697 663655430 /nfs/dbraw/zinc/65/54/30/663655430.db2.gz NJWOPEYTACDMFT-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033228697 663655432 /nfs/dbraw/zinc/65/54/32/663655432.db2.gz NJWOPEYTACDMFT-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223104 663655625 /nfs/dbraw/zinc/65/56/25/663655625.db2.gz UNLKJWSDXWNNHC-WPRPVWTQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223104 663655632 /nfs/dbraw/zinc/65/56/32/663655632.db2.gz UNLKJWSDXWNNHC-WPRPVWTQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223104 663655637 /nfs/dbraw/zinc/65/56/37/663655637.db2.gz UNLKJWSDXWNNHC-WPRPVWTQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223104 663655642 /nfs/dbraw/zinc/65/56/42/663655642.db2.gz UNLKJWSDXWNNHC-WPRPVWTQSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223095 663655771 /nfs/dbraw/zinc/65/57/71/663655771.db2.gz UNLKJWSDXWNNHC-SCZZXKLOSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223095 663655773 /nfs/dbraw/zinc/65/57/73/663655773.db2.gz UNLKJWSDXWNNHC-SCZZXKLOSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223095 663655775 /nfs/dbraw/zinc/65/57/75/663655775.db2.gz UNLKJWSDXWNNHC-SCZZXKLOSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033223095 663655777 /nfs/dbraw/zinc/65/57/77/663655777.db2.gz UNLKJWSDXWNNHC-SCZZXKLOSA-N 1 1 306.326 -1.244 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241016 663656335 /nfs/dbraw/zinc/65/63/35/663656335.db2.gz QYTPSICZORVOKX-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241016 663656336 /nfs/dbraw/zinc/65/63/36/663656336.db2.gz QYTPSICZORVOKX-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001033286975 663657248 /nfs/dbraw/zinc/65/72/48/663657248.db2.gz UJZYGXNPSCHJMC-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005089594 663657278 /nfs/dbraw/zinc/65/72/78/663657278.db2.gz WATBGXIVLBSAKQ-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)Cn3ncnn3)CC2)C1 ZINC000946796178 663657361 /nfs/dbraw/zinc/65/73/61/663657361.db2.gz DEMIQELLIIYFFB-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000946796468 663657507 /nfs/dbraw/zinc/65/75/07/663657507.db2.gz JVFXVHGXNJVUBQ-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005090100 663657979 /nfs/dbraw/zinc/65/79/79/663657979.db2.gz ZRMJPLMPIZMIQW-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327948 663658258 /nfs/dbraw/zinc/65/82/58/663658258.db2.gz LYUNLAQGGBCFKK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033327355 663658378 /nfs/dbraw/zinc/65/83/78/663658378.db2.gz IHGUSKXDIXKZRX-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033327355 663658380 /nfs/dbraw/zinc/65/83/80/663658380.db2.gz IHGUSKXDIXKZRX-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033327030 663658440 /nfs/dbraw/zinc/65/84/40/663658440.db2.gz GGGYNZHQDFEFFR-NWDGAFQWSA-N 1 1 321.385 -1.166 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014710103 663658769 /nfs/dbraw/zinc/65/87/69/663658769.db2.gz DNGRJEXAPMECNN-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014710103 663658770 /nfs/dbraw/zinc/65/87/70/663658770.db2.gz DNGRJEXAPMECNN-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O[C@H]1CN(Cc2cccc(C[NH+]3C[C@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000625712873 663658782 /nfs/dbraw/zinc/65/87/82/663658782.db2.gz GHISCPQVHGOBRV-VGWMRTNUSA-N 1 1 308.378 -1.239 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033330342 663658872 /nfs/dbraw/zinc/65/88/72/663658872.db2.gz ZLUQVKJZZOEQQT-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033337042 663658920 /nfs/dbraw/zinc/65/89/20/663658920.db2.gz DDBJXHXLEXOZTH-RKDXNWHRSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033337042 663658923 /nfs/dbraw/zinc/65/89/23/663658923.db2.gz DDBJXHXLEXOZTH-RKDXNWHRSA-N 1 1 321.341 -1.838 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625711574 663658995 /nfs/dbraw/zinc/65/89/95/663658995.db2.gz WFJIJBBUDHUGRC-STQMWFEESA-N 1 1 315.414 -1.108 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033330344 663659074 /nfs/dbraw/zinc/65/90/74/663659074.db2.gz ZLUQVKJZZOEQQT-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347695 663659368 /nfs/dbraw/zinc/65/93/68/663659368.db2.gz ZKTJYECMAPCSTN-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347695 663659369 /nfs/dbraw/zinc/65/93/69/663659369.db2.gz ZKTJYECMAPCSTN-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001033376941 663659760 /nfs/dbraw/zinc/65/97/60/663659760.db2.gz WQBYUVQIMMQCJP-JTQLQIEISA-N 1 1 318.337 -1.459 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001033376941 663659762 /nfs/dbraw/zinc/65/97/62/663659762.db2.gz WQBYUVQIMMQCJP-JTQLQIEISA-N 1 1 318.337 -1.459 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033380729 663659932 /nfs/dbraw/zinc/65/99/32/663659932.db2.gz SVZISMHICQYREV-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374183 663659955 /nfs/dbraw/zinc/65/99/55/663659955.db2.gz URRZONCYXFPIHR-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374183 663659958 /nfs/dbraw/zinc/65/99/58/663659958.db2.gz URRZONCYXFPIHR-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374181 663660014 /nfs/dbraw/zinc/66/00/14/663660014.db2.gz URRZONCYXFPIHR-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374181 663660016 /nfs/dbraw/zinc/66/00/16/663660016.db2.gz URRZONCYXFPIHR-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033371728 663660081 /nfs/dbraw/zinc/66/00/81/663660081.db2.gz BPIHHURNMFCUOT-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033422427 663660704 /nfs/dbraw/zinc/66/07/04/663660704.db2.gz JYKRFYSDQNSIBX-TUAOUCFPSA-N 1 1 310.398 -1.011 20 0 DAADMO CN(C(=O)c1c[nH]nc1S(N)(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033409126 663660698 /nfs/dbraw/zinc/66/06/98/663660698.db2.gz FKHOXKNFHGSDKU-QMMMGPOBSA-N 1 1 317.371 -1.804 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033422427 663660708 /nfs/dbraw/zinc/66/07/08/663660708.db2.gz JYKRFYSDQNSIBX-TUAOUCFPSA-N 1 1 310.398 -1.011 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001033387213 663660765 /nfs/dbraw/zinc/66/07/65/663660765.db2.gz YUKHVXHYTCIGFZ-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033475615 663661222 /nfs/dbraw/zinc/66/12/22/663661222.db2.gz WYVWWCBBWSXOJJ-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033475957 663661422 /nfs/dbraw/zinc/66/14/22/663661422.db2.gz YHDJTIVPDIAMBM-WDEREUQCSA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033500477 663661451 /nfs/dbraw/zinc/66/14/51/663661451.db2.gz YJIOYPJAAWBYCC-VTWZXRTESA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033501102 663661471 /nfs/dbraw/zinc/66/14/71/663661471.db2.gz BHQUGUHZFDTZKZ-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033501102 663661472 /nfs/dbraw/zinc/66/14/72/663661472.db2.gz BHQUGUHZFDTZKZ-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033514565 663661965 /nfs/dbraw/zinc/66/19/65/663661965.db2.gz WWXDXBZWWHSGIK-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033514565 663661968 /nfs/dbraw/zinc/66/19/68/663661968.db2.gz WWXDXBZWWHSGIK-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033501921 663662031 /nfs/dbraw/zinc/66/20/31/663662031.db2.gz JVXNKLLHEHIMNQ-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033501921 663662033 /nfs/dbraw/zinc/66/20/33/663662033.db2.gz JVXNKLLHEHIMNQ-KOLCDFICSA-N 1 1 320.353 -1.233 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503000 663662048 /nfs/dbraw/zinc/66/20/48/663662048.db2.gz UUDKRBNRDPVZKK-WPRPVWTQSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503000 663662049 /nfs/dbraw/zinc/66/20/49/663662049.db2.gz UUDKRBNRDPVZKK-WPRPVWTQSA-N 1 1 310.354 -1.554 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033501917 663662067 /nfs/dbraw/zinc/66/20/67/663662067.db2.gz JVXNKLLHEHIMNQ-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033501917 663662069 /nfs/dbraw/zinc/66/20/69/663662069.db2.gz JVXNKLLHEHIMNQ-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507512 663662095 /nfs/dbraw/zinc/66/20/95/663662095.db2.gz HYRZTPIKFYRZGM-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507512 663662097 /nfs/dbraw/zinc/66/20/97/663662097.db2.gz HYRZTPIKFYRZGM-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507208 663662372 /nfs/dbraw/zinc/66/23/72/663662372.db2.gz CYPMOYDBGBBGJT-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507208 663662373 /nfs/dbraw/zinc/66/23/73/663662373.db2.gz CYPMOYDBGBBGJT-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033502680 663662392 /nfs/dbraw/zinc/66/23/92/663662392.db2.gz REZQSUZVLBCAIZ-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033508280 663662489 /nfs/dbraw/zinc/66/24/89/663662489.db2.gz SIZNPLAINMARHT-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033508280 663662495 /nfs/dbraw/zinc/66/24/95/663662495.db2.gz SIZNPLAINMARHT-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001033555800 663662917 /nfs/dbraw/zinc/66/29/17/663662917.db2.gz BOPYSSUOZUIKKA-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033554626 663663006 /nfs/dbraw/zinc/66/30/06/663663006.db2.gz HBTNARCSFCPCDK-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001005209017 663663372 /nfs/dbraw/zinc/66/33/72/663663372.db2.gz JLSQTRWQCHYURC-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001033577746 663663653 /nfs/dbraw/zinc/66/36/53/663663653.db2.gz PULSHPCDYDINBL-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033598097 663663971 /nfs/dbraw/zinc/66/39/71/663663971.db2.gz GTHZMEIYHXEEIP-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001033584126 663664144 /nfs/dbraw/zinc/66/41/44/663664144.db2.gz WHVJYKTZYWXRMV-UWVGGRQHSA-N 1 1 320.353 -1.055 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001033626688 663664952 /nfs/dbraw/zinc/66/49/52/663664952.db2.gz UNOISSGBCBCHRJ-JQWIXIFHSA-N 1 1 311.386 -1.196 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014740292 663664978 /nfs/dbraw/zinc/66/49/78/663664978.db2.gz KQKMTJDGLYQHLU-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014740292 663664980 /nfs/dbraw/zinc/66/49/80/663664980.db2.gz KQKMTJDGLYQHLU-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001033626747 663665006 /nfs/dbraw/zinc/66/50/06/663665006.db2.gz UNOISSGBCBCHRJ-ZYHUDNBSSA-N 1 1 311.386 -1.196 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626251 663665013 /nfs/dbraw/zinc/66/50/13/663665013.db2.gz OMYJRDJWJQCCCQ-MWLCHTKSSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001033626251 663665014 /nfs/dbraw/zinc/66/50/14/663665014.db2.gz OMYJRDJWJQCCCQ-MWLCHTKSSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641115 663665027 /nfs/dbraw/zinc/66/50/27/663665027.db2.gz XDAOCBIGPQACGI-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033641115 663665028 /nfs/dbraw/zinc/66/50/28/663665028.db2.gz XDAOCBIGPQACGI-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001014740297 663665052 /nfs/dbraw/zinc/66/50/52/663665052.db2.gz KQKMTJDGLYQHLU-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001014740297 663665054 /nfs/dbraw/zinc/66/50/54/663665054.db2.gz KQKMTJDGLYQHLU-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646725 663665112 /nfs/dbraw/zinc/66/51/12/663665112.db2.gz SULZDTZTLTZRMF-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646725 663665115 /nfs/dbraw/zinc/66/51/15/663665115.db2.gz SULZDTZTLTZRMF-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001033626385 663665158 /nfs/dbraw/zinc/66/51/58/663665158.db2.gz QCDDBDQZYFDCKQ-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033635436 663665241 /nfs/dbraw/zinc/66/52/41/663665241.db2.gz JMSZQODATXWRKV-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001033635436 663665243 /nfs/dbraw/zinc/66/52/43/663665243.db2.gz JMSZQODATXWRKV-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740219 663665353 /nfs/dbraw/zinc/66/53/53/663665353.db2.gz JDUVTJWHHGJLBM-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740219 663665355 /nfs/dbraw/zinc/66/53/55/663665355.db2.gz JDUVTJWHHGJLBM-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670339 663665477 /nfs/dbraw/zinc/66/54/77/663665477.db2.gz ADFFAWKGHYCJSB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670339 663665479 /nfs/dbraw/zinc/66/54/79/663665479.db2.gz ADFFAWKGHYCJSB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)CN2CCOCC2)CC1 ZINC001005269213 663665501 /nfs/dbraw/zinc/66/55/01/663665501.db2.gz PRORCYZMPMPEHA-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646036 663665574 /nfs/dbraw/zinc/66/55/74/663665574.db2.gz IUEHPVDVECQVIA-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646036 663665577 /nfs/dbraw/zinc/66/55/77/663665577.db2.gz IUEHPVDVECQVIA-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671106 663665758 /nfs/dbraw/zinc/66/57/58/663665758.db2.gz MDJYXZYMXHNWJK-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645596 663665813 /nfs/dbraw/zinc/66/58/13/663665813.db2.gz DNJDSOUYESPBMF-NXEZZACHSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645596 663665814 /nfs/dbraw/zinc/66/58/14/663665814.db2.gz DNJDSOUYESPBMF-NXEZZACHSA-N 1 1 310.354 -1.458 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645357 663665842 /nfs/dbraw/zinc/66/58/42/663665842.db2.gz CFAYGZGNJFQALZ-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645357 663665843 /nfs/dbraw/zinc/66/58/43/663665843.db2.gz CFAYGZGNJFQALZ-JTQLQIEISA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671737 663665849 /nfs/dbraw/zinc/66/58/49/663665849.db2.gz QCZVTFJINIPBMU-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033671737 663665850 /nfs/dbraw/zinc/66/58/50/663665850.db2.gz QCZVTFJINIPBMU-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646037 663665862 /nfs/dbraw/zinc/66/58/62/663665862.db2.gz IUEHPVDVECQVIA-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646037 663665863 /nfs/dbraw/zinc/66/58/63/663665863.db2.gz IUEHPVDVECQVIA-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645600 663666182 /nfs/dbraw/zinc/66/61/82/663666182.db2.gz DNJDSOUYESPBMF-ZJUUUORDSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645600 663666183 /nfs/dbraw/zinc/66/61/83/663666183.db2.gz DNJDSOUYESPBMF-ZJUUUORDSA-N 1 1 310.354 -1.458 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033715679 663666352 /nfs/dbraw/zinc/66/63/52/663666352.db2.gz PJUYXRVWQSWVTF-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033715679 663666354 /nfs/dbraw/zinc/66/63/54/663666354.db2.gz PJUYXRVWQSWVTF-GHMZBOCLSA-N 1 1 324.381 -1.340 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001033705770 663666457 /nfs/dbraw/zinc/66/64/57/663666457.db2.gz LSAPZSWHKCJJMY-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001033705770 663666458 /nfs/dbraw/zinc/66/64/58/663666458.db2.gz LSAPZSWHKCJJMY-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033693129 663666537 /nfs/dbraw/zinc/66/65/37/663666537.db2.gz PPGGZBXPPMVFTB-QWRGUYRKSA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033693129 663666539 /nfs/dbraw/zinc/66/65/39/663666539.db2.gz PPGGZBXPPMVFTB-QWRGUYRKSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684631 663666592 /nfs/dbraw/zinc/66/65/92/663666592.db2.gz GQTPLGPFVYXAIS-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033715680 663666648 /nfs/dbraw/zinc/66/66/48/663666648.db2.gz PJUYXRVWQSWVTF-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033715680 663666651 /nfs/dbraw/zinc/66/66/51/663666651.db2.gz PJUYXRVWQSWVTF-MNOVXSKESA-N 1 1 324.381 -1.340 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2COCCN2C)CC1 ZINC001005275835 663666738 /nfs/dbraw/zinc/66/67/38/663666738.db2.gz QJNSSYRFCNTNIA-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684055 663666830 /nfs/dbraw/zinc/66/68/30/663666830.db2.gz CGLRZUDBXATPOJ-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692730 663666851 /nfs/dbraw/zinc/66/68/51/663666851.db2.gz LWRYQJDIIKWYQO-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033692730 663666854 /nfs/dbraw/zinc/66/68/54/663666854.db2.gz LWRYQJDIIKWYQO-SNVBAGLBSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005332846 663667425 /nfs/dbraw/zinc/66/74/25/663667425.db2.gz AKYSEGSCPOYUMK-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033926214 663667888 /nfs/dbraw/zinc/66/78/88/663667888.db2.gz ALJKDXNQLAVMRI-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033926214 663667890 /nfs/dbraw/zinc/66/78/90/663667890.db2.gz ALJKDXNQLAVMRI-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033926221 663667894 /nfs/dbraw/zinc/66/78/94/663667894.db2.gz ALJKDXNQLAVMRI-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001033926221 663667896 /nfs/dbraw/zinc/66/78/96/663667896.db2.gz ALJKDXNQLAVMRI-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033921681 663667927 /nfs/dbraw/zinc/66/79/27/663667927.db2.gz DMEZHGFDAKVMPB-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033921681 663667928 /nfs/dbraw/zinc/66/79/28/663667928.db2.gz DMEZHGFDAKVMPB-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033936388 663668317 /nfs/dbraw/zinc/66/83/17/663668317.db2.gz ABEGINCLCRSPEX-VXGBXAGGSA-N 1 1 321.385 -1.118 20 0 DAADMO CCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033984643 663668459 /nfs/dbraw/zinc/66/84/59/663668459.db2.gz VTCVAVICVLKMJB-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CCN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034018624 663668541 /nfs/dbraw/zinc/66/85/41/663668541.db2.gz GRGXTPNKMWDIKR-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO CCN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033984642 663668638 /nfs/dbraw/zinc/66/86/38/663668638.db2.gz VTCVAVICVLKMJB-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CCN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034018625 663668803 /nfs/dbraw/zinc/66/88/03/663668803.db2.gz GRGXTPNKMWDIKR-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001034096012 663669092 /nfs/dbraw/zinc/66/90/92/663669092.db2.gz BBZOJZVWTZCUSF-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034101166 663669229 /nfs/dbraw/zinc/66/92/29/663669229.db2.gz SRZTVMDPXMGHEJ-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034043334 663669333 /nfs/dbraw/zinc/66/93/33/663669333.db2.gz DJNUYIRXBKUKIT-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034044354 663669351 /nfs/dbraw/zinc/66/93/51/663669351.db2.gz KILYCYGTNBRPQO-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034206886 663669631 /nfs/dbraw/zinc/66/96/31/663669631.db2.gz GJEALZUTPAYTDA-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034175163 663669694 /nfs/dbraw/zinc/66/96/94/663669694.db2.gz OGGBBZDWLMTLBI-GHMZBOCLSA-N 1 1 322.369 -1.157 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034208187 663669779 /nfs/dbraw/zinc/66/97/79/663669779.db2.gz RJEXNUUUYDMVRJ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001034208187 663669781 /nfs/dbraw/zinc/66/97/81/663669781.db2.gz RJEXNUUUYDMVRJ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034208188 663669877 /nfs/dbraw/zinc/66/98/77/663669877.db2.gz RJEXNUUUYDMVRJ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034208188 663669878 /nfs/dbraw/zinc/66/98/78/663669878.db2.gz RJEXNUUUYDMVRJ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001034339971 663670307 /nfs/dbraw/zinc/67/03/07/663670307.db2.gz KSQQHSAWSOUTIG-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001034339971 663670309 /nfs/dbraw/zinc/67/03/09/663670309.db2.gz KSQQHSAWSOUTIG-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001034291536 663670317 /nfs/dbraw/zinc/67/03/17/663670317.db2.gz YVZZIAGWFCZORW-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001034291536 663670319 /nfs/dbraw/zinc/67/03/19/663670319.db2.gz YVZZIAGWFCZORW-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279869 663670352 /nfs/dbraw/zinc/67/03/52/663670352.db2.gz QKKAFDYSLZLOGW-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279869 663670355 /nfs/dbraw/zinc/67/03/55/663670355.db2.gz QKKAFDYSLZLOGW-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231514 663670578 /nfs/dbraw/zinc/67/05/78/663670578.db2.gz PIZYYMKEBHFAAR-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001034231514 663670580 /nfs/dbraw/zinc/67/05/80/663670580.db2.gz PIZYYMKEBHFAAR-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001034291537 663670584 /nfs/dbraw/zinc/67/05/84/663670584.db2.gz YVZZIAGWFCZORW-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001034291537 663670586 /nfs/dbraw/zinc/67/05/86/663670586.db2.gz YVZZIAGWFCZORW-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034280190 663670612 /nfs/dbraw/zinc/67/06/12/663670612.db2.gz SIIWGGWHWRHURQ-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001034383853 663670914 /nfs/dbraw/zinc/67/09/14/663670914.db2.gz YXDARWSIWJKOLZ-NWDGAFQWSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034345689 663671191 /nfs/dbraw/zinc/67/11/91/663671191.db2.gz QDZAXFKVISFPNJ-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379763 663671252 /nfs/dbraw/zinc/67/12/52/663671252.db2.gz QOICYEOEWOTTJZ-NWDGAFQWSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379763 663671254 /nfs/dbraw/zinc/67/12/54/663671254.db2.gz QOICYEOEWOTTJZ-NWDGAFQWSA-N 1 1 323.397 -1.083 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001034371236 663671280 /nfs/dbraw/zinc/67/12/80/663671280.db2.gz APZSEXFBYZVMBR-GHMZBOCLSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001034371236 663671283 /nfs/dbraw/zinc/67/12/83/663671283.db2.gz APZSEXFBYZVMBR-GHMZBOCLSA-N 1 1 317.411 -1.123 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034345396 663671297 /nfs/dbraw/zinc/67/12/97/663671297.db2.gz NUTTZNRDSPYDJT-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034514966 663671758 /nfs/dbraw/zinc/67/17/58/663671758.db2.gz COCPEZROXOFZQF-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034514966 663671761 /nfs/dbraw/zinc/67/17/61/663671761.db2.gz COCPEZROXOFZQF-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034525073 663671824 /nfs/dbraw/zinc/67/18/24/663671824.db2.gz XFGQPHHDPDCYOV-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515425 663671830 /nfs/dbraw/zinc/67/18/30/663671830.db2.gz HCWCZWFAYJRMGB-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515425 663671831 /nfs/dbraw/zinc/67/18/31/663671831.db2.gz HCWCZWFAYJRMGB-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)S1(=O)=O ZINC001034442172 663671889 /nfs/dbraw/zinc/67/18/89/663671889.db2.gz MVOPKBXGHHFYEW-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001034424333 663671929 /nfs/dbraw/zinc/67/19/29/663671929.db2.gz QKIUUCKTXMVSIO-LLVKDONJSA-N 1 1 324.381 -1.339 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447732 663671946 /nfs/dbraw/zinc/67/19/46/663671946.db2.gz KHXQYEZGJNDTDF-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447732 663671948 /nfs/dbraw/zinc/67/19/48/663671948.db2.gz KHXQYEZGJNDTDF-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515014 663671982 /nfs/dbraw/zinc/67/19/82/663671982.db2.gz DQCHGUDIKKVEBZ-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515014 663671983 /nfs/dbraw/zinc/67/19/83/663671983.db2.gz DQCHGUDIKKVEBZ-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450306 663671987 /nfs/dbraw/zinc/67/19/87/663671987.db2.gz ZUVTWYDEAKPAHV-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450306 663671989 /nfs/dbraw/zinc/67/19/89/663671989.db2.gz ZUVTWYDEAKPAHV-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO O=C(N[C@H]1CCCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001034486964 663672031 /nfs/dbraw/zinc/67/20/31/663672031.db2.gz MGQWFWIVXJRSBI-JTQLQIEISA-N 1 1 320.353 -1.006 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001034532068 663672342 /nfs/dbraw/zinc/67/23/42/663672342.db2.gz OYQDZCKXWKSNPG-VHSXEESVSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001034532068 663672343 /nfs/dbraw/zinc/67/23/43/663672343.db2.gz OYQDZCKXWKSNPG-VHSXEESVSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001034532069 663672454 /nfs/dbraw/zinc/67/24/54/663672454.db2.gz OYQDZCKXWKSNPG-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001034532069 663672456 /nfs/dbraw/zinc/67/24/56/663672456.db2.gz OYQDZCKXWKSNPG-ZJUUUORDSA-N 1 1 318.399 -1.866 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)n(C)c1=O ZINC001034544401 663672501 /nfs/dbraw/zinc/67/25/01/663672501.db2.gz OAUQVWJVSACHHJ-JTQLQIEISA-N 1 1 309.370 -1.207 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001034544401 663672503 /nfs/dbraw/zinc/67/25/03/663672503.db2.gz OAUQVWJVSACHHJ-JTQLQIEISA-N 1 1 309.370 -1.207 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001005629980 663672786 /nfs/dbraw/zinc/67/27/86/663672786.db2.gz VMTJXUVTMGGZHH-UHFFFAOYSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC001034637860 663672857 /nfs/dbraw/zinc/67/28/57/663672857.db2.gz MHVDHOKRNONSHI-OPRDCNLKSA-N 1 1 323.357 -1.165 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)CC2)n1 ZINC001034706233 663673377 /nfs/dbraw/zinc/67/33/77/663673377.db2.gz ICCQQGFJSLPVAO-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001034720391 663673827 /nfs/dbraw/zinc/67/38/27/663673827.db2.gz DUHKBGJJOIMMTG-OPRDCNLKSA-N 1 1 322.373 -1.592 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797886 663674585 /nfs/dbraw/zinc/67/45/85/663674585.db2.gz VQEURWFSKLZORU-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014797886 663674587 /nfs/dbraw/zinc/67/45/87/663674587.db2.gz VQEURWFSKLZORU-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001034891079 663675017 /nfs/dbraw/zinc/67/50/17/663675017.db2.gz MCQCDUXKOXLBJH-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001034868114 663675327 /nfs/dbraw/zinc/67/53/27/663675327.db2.gz UUGRGBMDBPVBSF-MNOVXSKESA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001034871589 663675453 /nfs/dbraw/zinc/67/54/53/663675453.db2.gz AWTOJDTXCRTYLI-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001034927737 663675665 /nfs/dbraw/zinc/67/56/65/663675665.db2.gz UZFBOGDOIXHGNB-RKDXNWHRSA-N 1 1 309.330 -1.601 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001034964882 663675726 /nfs/dbraw/zinc/67/57/26/663675726.db2.gz ATHOVUZJIDEETA-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1nnc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)[nH]1 ZINC001034933629 663675746 /nfs/dbraw/zinc/67/57/46/663675746.db2.gz KVFYNWUTKZRFOG-SNVBAGLBSA-N 1 1 319.373 -1.040 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)CC1=O ZINC001034951626 663675886 /nfs/dbraw/zinc/67/58/86/663675886.db2.gz OOGABYCPAGFNLG-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2ncnn2)[nH]1 ZINC001034938022 663676062 /nfs/dbraw/zinc/67/60/62/663676062.db2.gz FXGFAGRQORANFK-SNVBAGLBSA-N 1 1 305.346 -1.120 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034960107 663676084 /nfs/dbraw/zinc/67/60/84/663676084.db2.gz COQWBAWFCUSFNY-ZJUUUORDSA-N 1 1 322.325 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001035010800 663676377 /nfs/dbraw/zinc/67/63/77/663676377.db2.gz BPTQQBGDKGEVJI-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001035014491 663676435 /nfs/dbraw/zinc/67/64/35/663676435.db2.gz LXLOIDBKQSGMEW-VXGBXAGGSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001035012406 663676488 /nfs/dbraw/zinc/67/64/88/663676488.db2.gz CFIYLQURLLHAFQ-GHMZBOCLSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001035015188 663676554 /nfs/dbraw/zinc/67/65/54/663676554.db2.gz XBTYIICSMWOBLE-VXGBXAGGSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)c2nnn(C)n2)n1 ZINC001035017419 663676575 /nfs/dbraw/zinc/67/65/75/663676575.db2.gz RVLUFAONLOVWDA-SNVBAGLBSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001035075726 663677059 /nfs/dbraw/zinc/67/70/59/663677059.db2.gz NHMRCBCODXOOST-WDEREUQCSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001035031018 663677284 /nfs/dbraw/zinc/67/72/84/663677284.db2.gz QYKVTQFQVSMKSV-BDAKNGLRSA-N 1 1 308.346 -2.028 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035220916 663677761 /nfs/dbraw/zinc/67/77/61/663677761.db2.gz PGQRGFNJOWBNEH-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035220415 663677800 /nfs/dbraw/zinc/67/78/00/663677800.db2.gz DHYHRCMUUPXUPH-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035221136 663677829 /nfs/dbraw/zinc/67/78/29/663677829.db2.gz VWICRRLOQDYSHN-JTQLQIEISA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035156455 663677861 /nfs/dbraw/zinc/67/78/61/663677861.db2.gz CJSONVHRETXVAF-UHFFFAOYSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1CN1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035305739 663678578 /nfs/dbraw/zinc/67/85/78/663678578.db2.gz DSELARDRSCQKEK-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCO[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001035307293 663678629 /nfs/dbraw/zinc/67/86/29/663678629.db2.gz OIBRHSSZOAAAGV-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035326536 663679266 /nfs/dbraw/zinc/67/92/66/663679266.db2.gz GXMQIGMSPOBOLU-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035326536 663679267 /nfs/dbraw/zinc/67/92/67/663679267.db2.gz GXMQIGMSPOBOLU-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035326533 663679311 /nfs/dbraw/zinc/67/93/11/663679311.db2.gz GXMQIGMSPOBOLU-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035326533 663679314 /nfs/dbraw/zinc/67/93/14/663679314.db2.gz GXMQIGMSPOBOLU-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035341783 663679618 /nfs/dbraw/zinc/67/96/18/663679618.db2.gz KXGUOFGJYDKMHQ-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035341783 663679623 /nfs/dbraw/zinc/67/96/23/663679623.db2.gz KXGUOFGJYDKMHQ-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035341957 663679642 /nfs/dbraw/zinc/67/96/42/663679642.db2.gz KXGUOFGJYDKMHQ-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035341957 663679644 /nfs/dbraw/zinc/67/96/44/663679644.db2.gz KXGUOFGJYDKMHQ-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035423027 663681523 /nfs/dbraw/zinc/68/15/23/663681523.db2.gz KRQPTOAULCKMLW-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035423027 663681524 /nfs/dbraw/zinc/68/15/24/663681524.db2.gz KRQPTOAULCKMLW-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403969 663681749 /nfs/dbraw/zinc/68/17/49/663681749.db2.gz KAJUWNMGOUULRP-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035403969 663681750 /nfs/dbraw/zinc/68/17/50/663681750.db2.gz KAJUWNMGOUULRP-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)c1ccc2nnnn2c1 ZINC001035443751 663683076 /nfs/dbraw/zinc/68/30/76/663683076.db2.gz HWWAPPPXGVMLGV-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)c1ccc2nnnn2c1 ZINC001035443751 663683079 /nfs/dbraw/zinc/68/30/79/663683079.db2.gz HWWAPPPXGVMLGV-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449468 663683117 /nfs/dbraw/zinc/68/31/17/663683117.db2.gz KRKFCUXRMXAPHH-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449468 663683118 /nfs/dbraw/zinc/68/31/18/663683118.db2.gz KRKFCUXRMXAPHH-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)ncc1=O ZINC001035451001 663683165 /nfs/dbraw/zinc/68/31/65/663683165.db2.gz XELBLSDSYOIPHZ-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)ncc1=O ZINC001035451001 663683166 /nfs/dbraw/zinc/68/31/66/663683166.db2.gz XELBLSDSYOIPHZ-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449472 663683194 /nfs/dbraw/zinc/68/31/94/663683194.db2.gz KRKFCUXRMXAPHH-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001035449472 663683195 /nfs/dbraw/zinc/68/31/95/663683195.db2.gz KRKFCUXRMXAPHH-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035480728 663684028 /nfs/dbraw/zinc/68/40/28/663684028.db2.gz AWPABXWEFYIOLT-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)O1 ZINC001035507157 663685055 /nfs/dbraw/zinc/68/50/55/663685055.db2.gz FHDAAEBJDNJXOP-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)O1 ZINC001035507157 663685056 /nfs/dbraw/zinc/68/50/56/663685056.db2.gz FHDAAEBJDNJXOP-GRYCIOLGSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510782 663685539 /nfs/dbraw/zinc/68/55/39/663685539.db2.gz NCUFIXIOWKLVPP-VHSXEESVSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001035510782 663685541 /nfs/dbraw/zinc/68/55/41/663685541.db2.gz NCUFIXIOWKLVPP-VHSXEESVSA-N 1 1 310.354 -1.075 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035524368 663686238 /nfs/dbraw/zinc/68/62/38/663686238.db2.gz BNKOEEDBRMACLI-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035524368 663686241 /nfs/dbraw/zinc/68/62/41/663686241.db2.gz BNKOEEDBRMACLI-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560328 663687253 /nfs/dbraw/zinc/68/72/53/663687253.db2.gz UDWHPJYXBAEHEC-KOLCDFICSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560328 663687256 /nfs/dbraw/zinc/68/72/56/663687256.db2.gz UDWHPJYXBAEHEC-KOLCDFICSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560424 663687286 /nfs/dbraw/zinc/68/72/86/663687286.db2.gz UDWHPJYXBAEHEC-MWLCHTKSSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560424 663687288 /nfs/dbraw/zinc/68/72/88/663687288.db2.gz UDWHPJYXBAEHEC-MWLCHTKSSA-N 1 1 310.354 -1.075 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CC(=O)N3CCC3)CCO2)C1 ZINC001035600210 663687388 /nfs/dbraw/zinc/68/73/88/663687388.db2.gz OYLJEXXSPSVQHC-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnc(CN2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001035601197 663687689 /nfs/dbraw/zinc/68/76/89/663687689.db2.gz ZGFWOOCXQVSUKZ-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604058 663687750 /nfs/dbraw/zinc/68/77/50/663687750.db2.gz YGBLQZILAMUAGF-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001035604058 663687751 /nfs/dbraw/zinc/68/77/51/663687751.db2.gz YGBLQZILAMUAGF-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620976 663688105 /nfs/dbraw/zinc/68/81/05/663688105.db2.gz JSQNSUUJCGOKJP-ZYHUDNBSSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620976 663688108 /nfs/dbraw/zinc/68/81/08/663688108.db2.gz JSQNSUUJCGOKJP-ZYHUDNBSSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620972 663688126 /nfs/dbraw/zinc/68/81/26/663688126.db2.gz JSQNSUUJCGOKJP-PWSUYJOCSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001035620972 663688127 /nfs/dbraw/zinc/68/81/27/663688127.db2.gz JSQNSUUJCGOKJP-PWSUYJOCSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)cn1 ZINC001035620076 663688150 /nfs/dbraw/zinc/68/81/50/663688150.db2.gz DDOBXNRMXZHKAY-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)cn1 ZINC001035620076 663688151 /nfs/dbraw/zinc/68/81/51/663688151.db2.gz DDOBXNRMXZHKAY-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611362 663688448 /nfs/dbraw/zinc/68/84/48/663688448.db2.gz SLWBHYBLLZWHFU-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611362 663688452 /nfs/dbraw/zinc/68/84/52/663688452.db2.gz SLWBHYBLLZWHFU-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611365 663688524 /nfs/dbraw/zinc/68/85/24/663688524.db2.gz SLWBHYBLLZWHFU-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611365 663688525 /nfs/dbraw/zinc/68/85/25/663688525.db2.gz SLWBHYBLLZWHFU-VXGBXAGGSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035608215 663688613 /nfs/dbraw/zinc/68/86/13/663688613.db2.gz ZAKODIMQOMIYQX-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035608215 663688615 /nfs/dbraw/zinc/68/86/15/663688615.db2.gz ZAKODIMQOMIYQX-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035608086 663688793 /nfs/dbraw/zinc/68/87/93/663688793.db2.gz YALPCUQHJVYNTB-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035608086 663688795 /nfs/dbraw/zinc/68/87/95/663688795.db2.gz YALPCUQHJVYNTB-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035612058 663688897 /nfs/dbraw/zinc/68/88/97/663688897.db2.gz PVPMCULSKPXSQP-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035612058 663688898 /nfs/dbraw/zinc/68/88/98/663688898.db2.gz PVPMCULSKPXSQP-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613969 663688905 /nfs/dbraw/zinc/68/89/05/663688905.db2.gz MZIDACLFDDWMBM-ONGXEEELSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613969 663688906 /nfs/dbraw/zinc/68/89/06/663688906.db2.gz MZIDACLFDDWMBM-ONGXEEELSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613964 663689042 /nfs/dbraw/zinc/68/90/42/663689042.db2.gz MZIDACLFDDWMBM-GXSJLCMTSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613964 663689043 /nfs/dbraw/zinc/68/90/43/663689043.db2.gz MZIDACLFDDWMBM-GXSJLCMTSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613868 663689131 /nfs/dbraw/zinc/68/91/31/663689131.db2.gz LXEQFOQNNALINY-GXFFZTMASA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001035613868 663689132 /nfs/dbraw/zinc/68/91/32/663689132.db2.gz LXEQFOQNNALINY-GXFFZTMASA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)nn1 ZINC001035611645 663689297 /nfs/dbraw/zinc/68/92/97/663689297.db2.gz IEJCPUNNKZMJDS-LLVKDONJSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)nn1 ZINC001035611645 663689301 /nfs/dbraw/zinc/68/93/01/663689301.db2.gz IEJCPUNNKZMJDS-LLVKDONJSA-N 1 1 322.369 -1.396 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613966 663689309 /nfs/dbraw/zinc/68/93/09/663689309.db2.gz MZIDACLFDDWMBM-KOLCDFICSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001035613966 663689312 /nfs/dbraw/zinc/68/93/12/663689312.db2.gz MZIDACLFDDWMBM-KOLCDFICSA-N 1 1 310.354 -1.075 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611455 663689350 /nfs/dbraw/zinc/68/93/50/663689350.db2.gz GUHVJRZMCWAJCD-JTQLQIEISA-N 1 1 310.358 -1.398 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611455 663689352 /nfs/dbraw/zinc/68/93/52/663689352.db2.gz GUHVJRZMCWAJCD-JTQLQIEISA-N 1 1 310.358 -1.398 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)n(C)c1=O ZINC001035616829 663689591 /nfs/dbraw/zinc/68/95/91/663689591.db2.gz PNLQNLDRVMFECU-NSHDSACASA-N 1 1 312.370 -1.463 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)n(C)c1=O ZINC001035616829 663689592 /nfs/dbraw/zinc/68/95/92/663689592.db2.gz PNLQNLDRVMFECU-NSHDSACASA-N 1 1 312.370 -1.463 20 0 DAADMO O=C(Cn1cnnn1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035645963 663689615 /nfs/dbraw/zinc/68/96/15/663689615.db2.gz QPBDTHSBWDAIGL-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035646224 663689737 /nfs/dbraw/zinc/68/97/37/663689737.db2.gz XWHJCBIHNARKPG-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC001035695795 663689890 /nfs/dbraw/zinc/68/98/90/663689890.db2.gz ZWMINVXBOYNWGD-NXEZZACHSA-N 1 1 310.354 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035710478 663690000 /nfs/dbraw/zinc/69/00/00/663690000.db2.gz YXVNPRUPGIEUGK-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035781553 663690101 /nfs/dbraw/zinc/69/01/01/663690101.db2.gz GYHNKTWZHOCESK-NSHDSACASA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC001035764727 663690193 /nfs/dbraw/zinc/69/01/93/663690193.db2.gz KPYOFQHWHHTEGR-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC001035768688 663690288 /nfs/dbraw/zinc/69/02/88/663690288.db2.gz LDEFYXYXTSCHMZ-WDEREUQCSA-N 1 1 323.397 -1.192 20 0 DAADMO Cn1nnc(C(=O)N2CCC3(C[NH+]([C@H]4CCNC4=O)C3)CC2)n1 ZINC001035769681 663690372 /nfs/dbraw/zinc/69/03/72/663690372.db2.gz LPUPMZVVYNPTBM-JTQLQIEISA-N 1 1 319.369 -1.363 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782262 663690382 /nfs/dbraw/zinc/69/03/82/663690382.db2.gz PDNMUKPFKBZPPD-GHMZBOCLSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035782762 663690503 /nfs/dbraw/zinc/69/05/03/663690503.db2.gz SBTJLJXHUAVVNK-QWRGUYRKSA-N 1 1 321.381 -1.519 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782778 663690725 /nfs/dbraw/zinc/69/07/25/663690725.db2.gz SFKXJSVZUZCLFQ-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1(C(N)=O)CC1)CC2 ZINC001035784871 663690772 /nfs/dbraw/zinc/69/07/72/663690772.db2.gz ZCZNHXPFROHGAO-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782265 663690902 /nfs/dbraw/zinc/69/09/02/663690902.db2.gz PDNMUKPFKBZPPD-QWRGUYRKSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036029182 663691108 /nfs/dbraw/zinc/69/11/08/663691108.db2.gz GZOZWJQVGKYADP-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036018643 663691150 /nfs/dbraw/zinc/69/11/50/663691150.db2.gz AFTHOOJUKPTLMI-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036092716 663691390 /nfs/dbraw/zinc/69/13/90/663691390.db2.gz WHPGXDPUOIPDOW-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036092717 663691638 /nfs/dbraw/zinc/69/16/38/663691638.db2.gz WHPGXDPUOIPDOW-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036164935 663691879 /nfs/dbraw/zinc/69/18/79/663691879.db2.gz ZZBXGSRPTFMWLV-ZJUUUORDSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036284832 663692200 /nfs/dbraw/zinc/69/22/00/663692200.db2.gz HHNYRHNGONOJAH-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036221440 663692454 /nfs/dbraw/zinc/69/24/54/663692454.db2.gz SUMKOIISNFUKED-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001036371536 663692712 /nfs/dbraw/zinc/69/27/12/663692712.db2.gz SGIUQKPQXJYAPF-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@H]1CCCN(C(=O)CC(N)=O)[C@H]1C[NH2+]Cc1nnnn1C ZINC001036527600 663692721 /nfs/dbraw/zinc/69/27/21/663692721.db2.gz GUDMAPYQJGQQKA-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[N@@H+](CCC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCC(=O)NC1=O ZINC001036603169 663692792 /nfs/dbraw/zinc/69/27/92/663692792.db2.gz CHPIUYQSBGHFSO-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000946835491 663693612 /nfs/dbraw/zinc/69/36/12/663693612.db2.gz CSOCXGQPZOOUHL-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005820311 663693791 /nfs/dbraw/zinc/69/37/91/663693791.db2.gz FTBPOPORLLNTJC-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001005814922 663693819 /nfs/dbraw/zinc/69/38/19/663693819.db2.gz NIFWMTHCICFCOP-UHFFFAOYSA-N 1 1 311.386 -2.174 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858668 663694067 /nfs/dbraw/zinc/69/40/67/663694067.db2.gz YCGPMBOUTNKOOL-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858668 663694069 /nfs/dbraw/zinc/69/40/69/663694069.db2.gz YCGPMBOUTNKOOL-BXKDBHETSA-N 1 1 323.353 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005847792 663694247 /nfs/dbraw/zinc/69/42/47/663694247.db2.gz LSHVFAHFVLHMQN-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)CC[C@H]21 ZINC001036685198 663694548 /nfs/dbraw/zinc/69/45/48/663694548.db2.gz TYHIXWHGGGLXRH-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCOCC3)CC[C@H]21 ZINC001036690841 663694977 /nfs/dbraw/zinc/69/49/77/663694977.db2.gz GLVYEYYXVKYJBX-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)C1 ZINC001036699231 663695284 /nfs/dbraw/zinc/69/52/84/663695284.db2.gz LVNKMYVMHJKDKX-AAEUAGOBSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000948730054 663695421 /nfs/dbraw/zinc/69/54/21/663695421.db2.gz SCQGEFXBAATBRY-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CN=NC3=O)CC[C@@H]21 ZINC001036692156 663695532 /nfs/dbraw/zinc/69/55/32/663695532.db2.gz BJQYBZQCDKKAPM-UWVGGRQHSA-N 1 1 308.342 -1.608 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946884440 663695881 /nfs/dbraw/zinc/69/58/81/663695881.db2.gz ANAKXRUYSSVJLA-TXEJJXNPSA-N 1 1 324.381 -1.299 20 0 DAADMO COC[C@H](CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)OC ZINC000923436441 663696873 /nfs/dbraw/zinc/69/68/73/663696873.db2.gz FYILQOCMQYSILB-NSHDSACASA-N 1 1 307.416 -1.433 20 0 DAADMO CCn1ncc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000923437787 663696875 /nfs/dbraw/zinc/69/68/75/663696875.db2.gz YWKHQPSXJPQOSC-UHFFFAOYSA-N 1 1 314.415 -1.283 20 0 DAADMO CCCNC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923430438 663696964 /nfs/dbraw/zinc/69/69/64/663696964.db2.gz JEMGLYQVHZKMOC-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO O=S(=O)(C1CN(CCO[C@@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000923436033 663696972 /nfs/dbraw/zinc/69/69/72/663696972.db2.gz BHUGOYSPJJLRTI-GFCCVEGCSA-N 1 1 319.427 -1.289 20 0 DAADMO O=S(=O)(C1CN(C[C@@H](O)C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000923434061 663697055 /nfs/dbraw/zinc/69/70/55/663697055.db2.gz OTXSJKCPLWXBNR-SECBINFHSA-N 1 1 317.333 -1.171 20 0 DAADMO CC(C)NC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923432693 663697071 /nfs/dbraw/zinc/69/70/71/663697071.db2.gz HPQNVSDGHAJMLM-UHFFFAOYSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437755 663697084 /nfs/dbraw/zinc/69/70/84/663697084.db2.gz YEUWXRLXEYPGTR-JTQLQIEISA-N 1 1 304.416 -1.618 20 0 DAADMO CSC[C@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436461 663697143 /nfs/dbraw/zinc/69/71/43/663697143.db2.gz GNKCWKQMKXNDQM-SNVBAGLBSA-N 1 1 309.457 -1.371 20 0 DAADMO O=C1CCCN1CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434557 663697253 /nfs/dbraw/zinc/69/72/53/663697253.db2.gz SNJNCYWXNFQQIJ-UHFFFAOYSA-N 1 1 316.427 -1.472 20 0 DAADMO CCN(C)C(=O)CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437630 663697285 /nfs/dbraw/zinc/69/72/85/663697285.db2.gz VNWBFVBGAFINEO-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000923471562 663697423 /nfs/dbraw/zinc/69/74/23/663697423.db2.gz QXFXUMVGMZXTBE-MWLCHTKSSA-N 1 1 319.431 -1.131 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC001006112378 663697645 /nfs/dbraw/zinc/69/76/45/663697645.db2.gz KLIQZCYDZXIOBO-QWRGUYRKSA-N 1 1 321.385 -1.412 20 0 DAADMO O=S(=O)(C1CN(CCn2cnnn2)C1)N1CC[NH2+]CC1 ZINC000923437282 663697650 /nfs/dbraw/zinc/69/76/50/663697650.db2.gz PSNBDJYZVSNUHQ-UHFFFAOYSA-N 1 1 301.376 -2.408 20 0 DAADMO COCCCS(=O)(=O)NCCN1CCNCC[NH2+]CC1 ZINC000923462263 663697675 /nfs/dbraw/zinc/69/76/75/663697675.db2.gz HDYDOCQAIMZPLD-UHFFFAOYSA-N 1 1 308.448 -1.563 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001006116021 663697687 /nfs/dbraw/zinc/69/76/87/663697687.db2.gz FZRVPVPMNXQXKX-ZJUUUORDSA-N 1 1 321.385 -1.262 20 0 DAADMO [NH3+]C[C@H]1CC2(CO1)CCN(CC(=O)N1CCNC(=O)C1)CC2 ZINC000923456576 663697755 /nfs/dbraw/zinc/69/77/55/663697755.db2.gz XWQUWRAFEAEDOB-GFCCVEGCSA-N 1 1 310.398 -1.225 20 0 DAADMO Cn1nnnc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437035 663697757 /nfs/dbraw/zinc/69/77/57/663697757.db2.gz MMLLLZUZSNXVBU-UHFFFAOYSA-N 1 1 301.376 -2.371 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC001006130925 663698017 /nfs/dbraw/zinc/69/80/17/663698017.db2.gz XOXNCCJRGRLVFQ-QWRGUYRKSA-N 1 1 321.385 -1.412 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946926250 663698627 /nfs/dbraw/zinc/69/86/27/663698627.db2.gz ZOKQVPMOIOPJBB-SNVBAGLBSA-N 1 1 322.369 -1.442 20 0 DAADMO NS(=O)(=O)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000743324505 663796580 /nfs/dbraw/zinc/79/65/80/663796580.db2.gz DWQBNSVSQXOUEB-LLVKDONJSA-N 1 1 305.400 -1.012 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000746298159 663799226 /nfs/dbraw/zinc/79/92/26/663799226.db2.gz ARBSBRQXRVITSL-NSHDSACASA-N 1 1 308.400 -1.116 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000746298159 663799228 /nfs/dbraw/zinc/79/92/28/663799228.db2.gz ARBSBRQXRVITSL-NSHDSACASA-N 1 1 308.400 -1.116 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747231331 663799852 /nfs/dbraw/zinc/79/98/52/663799852.db2.gz IFRFKTMZWILQTE-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1nc2n(n1)CCCN2 ZINC000748043668 663800139 /nfs/dbraw/zinc/80/01/39/663800139.db2.gz XDQAHDYWXILVME-GHMZBOCLSA-N 1 1 306.370 -1.056 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1C ZINC000748347914 663800429 /nfs/dbraw/zinc/80/04/29/663800429.db2.gz WXYYFNGXIWTNEU-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000748347914 663800430 /nfs/dbraw/zinc/80/04/30/663800430.db2.gz WXYYFNGXIWTNEU-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)OCCC[NH+]1CCOCC1 ZINC000750883162 663802015 /nfs/dbraw/zinc/80/20/15/663802015.db2.gz PNTVTGNHKRKLRG-UHFFFAOYSA-N 1 1 320.411 -1.018 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)CCO1 ZINC000751479512 663803064 /nfs/dbraw/zinc/80/30/64/663803064.db2.gz GFXRFIFSIXGCQI-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)CCO1 ZINC000751479512 663803066 /nfs/dbraw/zinc/80/30/66/663803066.db2.gz GFXRFIFSIXGCQI-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770004675 663816778 /nfs/dbraw/zinc/81/67/78/663816778.db2.gz KYNUKBFEUIWERO-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770004675 663816779 /nfs/dbraw/zinc/81/67/79/663816779.db2.gz KYNUKBFEUIWERO-MNOVXSKESA-N 1 1 322.431 -1.056 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](O)C1 ZINC000774180813 663820004 /nfs/dbraw/zinc/82/00/04/663820004.db2.gz QTEMZBQCZPDFTA-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](O)C1 ZINC000774180811 663820287 /nfs/dbraw/zinc/82/02/87/663820287.db2.gz QTEMZBQCZPDFTA-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000774468041 663820596 /nfs/dbraw/zinc/82/05/96/663820596.db2.gz HOFKMRGEAQRGOE-UHFFFAOYSA-N 1 1 311.342 -1.167 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=S)NCC(N)=O)[C@@H](C)C1 ZINC000774564127 663820705 /nfs/dbraw/zinc/82/07/05/663820705.db2.gz FQTXUMQDCYVTLF-VIFPVBQESA-N 1 1 302.400 -1.085 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=S)NCC(N)=O)[C@@H](C)C1 ZINC000774564127 663820707 /nfs/dbraw/zinc/82/07/07/663820707.db2.gz FQTXUMQDCYVTLF-VIFPVBQESA-N 1 1 302.400 -1.085 20 0 DAADMO Cn1nccc1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000774473138 663821048 /nfs/dbraw/zinc/82/10/48/663821048.db2.gz UTACFMWEPHGEEP-UHFFFAOYSA-N 1 1 323.397 -1.083 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000805620856 663824104 /nfs/dbraw/zinc/82/41/04/663824104.db2.gz HDZBOOLLGCPCNK-HJTOQOCKSA-N 1 1 319.427 -1.294 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000805620856 663824105 /nfs/dbraw/zinc/82/41/05/663824105.db2.gz HDZBOOLLGCPCNK-HJTOQOCKSA-N 1 1 319.427 -1.294 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000780523218 663824753 /nfs/dbraw/zinc/82/47/53/663824753.db2.gz OXCCKHIXRJCBEM-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000780523216 663825006 /nfs/dbraw/zinc/82/50/06/663825006.db2.gz OXCCKHIXRJCBEM-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788389588 663831397 /nfs/dbraw/zinc/83/13/97/663831397.db2.gz FUBSHQBKJSMTIQ-SNVBAGLBSA-N 1 1 307.416 -1.006 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788389587 663831513 /nfs/dbraw/zinc/83/15/13/663831513.db2.gz FUBSHQBKJSMTIQ-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000793876508 663835597 /nfs/dbraw/zinc/83/55/97/663835597.db2.gz XIQAVYXQVQTQGQ-GHMZBOCLSA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)S(N)(=O)=O ZINC000799919542 663840106 /nfs/dbraw/zinc/84/01/06/663840106.db2.gz HDRSLGTUIRMOJI-OUAUKWLOSA-N 1 1 320.415 -1.174 20 0 DAADMO C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)S(N)(=O)=O ZINC000799919543 663840211 /nfs/dbraw/zinc/84/02/11/663840211.db2.gz HDRSLGTUIRMOJI-VWYCJHECSA-N 1 1 320.415 -1.174 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036739374 663841176 /nfs/dbraw/zinc/84/11/76/663841176.db2.gz XPQBRSMZMXQSQX-STQMWFEESA-N 1 1 311.382 -1.240 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036739373 663841290 /nfs/dbraw/zinc/84/12/90/663841290.db2.gz XPQBRSMZMXQSQX-QWHCGFSZSA-N 1 1 311.382 -1.240 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)cc1=O ZINC001036740053 663841300 /nfs/dbraw/zinc/84/13/00/663841300.db2.gz LWYCSWGJWLLPNU-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)n1 ZINC001036719448 663841429 /nfs/dbraw/zinc/84/14/29/663841429.db2.gz FBKLNDICUYPHKX-MNOVXSKESA-N 1 1 322.369 -1.708 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036739372 663841545 /nfs/dbraw/zinc/84/15/45/663841545.db2.gz XPQBRSMZMXQSQX-OLZOCXBDSA-N 1 1 311.382 -1.240 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)n1 ZINC001036719447 663841601 /nfs/dbraw/zinc/84/16/01/663841601.db2.gz FBKLNDICUYPHKX-GHMZBOCLSA-N 1 1 322.369 -1.708 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)cc1=O ZINC001036740051 663841662 /nfs/dbraw/zinc/84/16/62/663841662.db2.gz LWYCSWGJWLLPNU-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036739371 663841694 /nfs/dbraw/zinc/84/16/94/663841694.db2.gz XPQBRSMZMXQSQX-CHWSQXEVSA-N 1 1 311.382 -1.240 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036716419 663841708 /nfs/dbraw/zinc/84/17/08/663841708.db2.gz FUCXTLSTKOTRKV-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCO)C2)c1=O ZINC001036752657 663841822 /nfs/dbraw/zinc/84/18/22/663841822.db2.gz COPOFYBZFYNUCC-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806942 663841832 /nfs/dbraw/zinc/84/18/32/663841832.db2.gz VZPVRFQWGWTXKM-ONGXEEELSA-N 1 1 319.369 -1.084 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806942 663841835 /nfs/dbraw/zinc/84/18/35/663841835.db2.gz VZPVRFQWGWTXKM-ONGXEEELSA-N 1 1 319.369 -1.084 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nc1=O ZINC001036806685 663841913 /nfs/dbraw/zinc/84/19/13/663841913.db2.gz SGCLJHKBBGPVEB-IUCAKERBSA-N 1 1 308.342 -1.984 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3CN(C(=O)C(N)=O)CC[C@@H]32)nc1=O ZINC001036806685 663841915 /nfs/dbraw/zinc/84/19/15/663841915.db2.gz SGCLJHKBBGPVEB-IUCAKERBSA-N 1 1 308.342 -1.984 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCCNC3=O)CC[C@@H]21 ZINC001036758885 663841961 /nfs/dbraw/zinc/84/19/61/663841961.db2.gz BTMZLJUGQKXWCI-RYUDHWBXSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)c1=O ZINC001036753294 663842075 /nfs/dbraw/zinc/84/20/75/663842075.db2.gz OBWKQVMPSLKCFG-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3(C(N)=O)CC3)CC[C@H]21 ZINC001036806898 663842251 /nfs/dbraw/zinc/84/22/51/663842251.db2.gz VHOAPEWHOZVNSZ-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CC[C@@H]21 ZINC001036806896 663842292 /nfs/dbraw/zinc/84/22/92/663842292.db2.gz VHOAPEWHOZVNSZ-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805752 663842582 /nfs/dbraw/zinc/84/25/82/663842582.db2.gz FBJDWXYVFRWQBA-MNOVXSKESA-N 1 1 321.385 -1.009 20 0 DAADMO CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805752 663842583 /nfs/dbraw/zinc/84/25/83/663842583.db2.gz FBJDWXYVFRWQBA-MNOVXSKESA-N 1 1 321.385 -1.009 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036805954 663842645 /nfs/dbraw/zinc/84/26/45/663842645.db2.gz IBLKOVZNMATTQJ-ZJUUUORDSA-N 1 1 303.384 -1.561 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)N2CCOCC2)C1 ZINC001036805859 663842654 /nfs/dbraw/zinc/84/26/54/663842654.db2.gz GMIVKFVIIOOYNY-NEPJUHHUSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@H]21 ZINC001036842575 663842806 /nfs/dbraw/zinc/84/28/06/663842806.db2.gz RSYROPYFFRFMPR-GXSJLCMTSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036863165 663842817 /nfs/dbraw/zinc/84/28/17/663842817.db2.gz BVNXUYLDPYPKRI-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036805951 663842840 /nfs/dbraw/zinc/84/28/40/663842840.db2.gz IBLKOVZNMATTQJ-NXEZZACHSA-N 1 1 303.384 -1.561 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@@H]21 ZINC001036843770 663842997 /nfs/dbraw/zinc/84/29/97/663842997.db2.gz LJZQNIDJXGYXIT-ZJUUUORDSA-N 1 1 323.353 -2.054 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036843143 663843008 /nfs/dbraw/zinc/84/30/08/663843008.db2.gz ANJDYIAOFISNTP-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036806209 663843022 /nfs/dbraw/zinc/84/30/22/663843022.db2.gz LLWQECBXFDHGNA-QWRGUYRKSA-N 1 1 309.370 -1.580 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)ccc1=O ZINC001036886723 663843448 /nfs/dbraw/zinc/84/34/48/663843448.db2.gz GPYZQIXRVPZJKT-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)CC[C@@H]21 ZINC001036886963 663843603 /nfs/dbraw/zinc/84/36/03/663843603.db2.gz KFBNJCFUHSVYPI-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036888172 663844033 /nfs/dbraw/zinc/84/40/33/663844033.db2.gz FEPGGNXIXPDTID-MNOVXSKESA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036888171 663844213 /nfs/dbraw/zinc/84/42/13/663844213.db2.gz FEPGGNXIXPDTID-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H]1CO ZINC000804052999 663844229 /nfs/dbraw/zinc/84/42/29/663844229.db2.gz GUOUKDPBNLHKOQ-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H]1CO ZINC000804052859 663844309 /nfs/dbraw/zinc/84/43/09/663844309.db2.gz GUOUKDPBNLHKOQ-AVGNSLFASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNC(=O)C1 ZINC000804056571 663844809 /nfs/dbraw/zinc/84/48/09/663844809.db2.gz RUQVGXOIGUEITG-WDEREUQCSA-N 1 1 310.354 -2.076 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057567 663844944 /nfs/dbraw/zinc/84/49/44/663844944.db2.gz ATWLROANLCEJLF-QWRGUYRKSA-N 1 1 323.353 -1.026 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnnn2C)CC1 ZINC000810372718 663848713 /nfs/dbraw/zinc/84/87/13/663848713.db2.gz LDKPUAAXXBGSRP-SNVBAGLBSA-N 1 1 310.358 -1.331 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)C(=O)N(C)C ZINC000812837747 663850341 /nfs/dbraw/zinc/85/03/41/663850341.db2.gz INWWHHMMXDHFLO-SNVBAGLBSA-N 1 1 317.386 -1.317 20 0 DAADMO CCN1CC[NH+](CCC(=O)N(C)[C@@H](COC)C(N)=O)CC1 ZINC000817930532 663853602 /nfs/dbraw/zinc/85/36/02/663853602.db2.gz FORUUYJDHQZLBC-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NCC(=O)N(C)OC)CC[N@@H+](C)C1 ZINC000817803902 663853987 /nfs/dbraw/zinc/85/39/87/663853987.db2.gz KVNHJLWCQWWZSM-JTQLQIEISA-N 1 1 316.358 -1.248 20 0 DAADMO Cn1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c(=O)n(C)c1=O ZINC000818586433 663855086 /nfs/dbraw/zinc/85/50/86/663855086.db2.gz XSWLUFLSMZHFEL-QMMMGPOBSA-N 1 1 302.281 -1.237 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H](CO)CN1CCOCC1 ZINC000820010944 663856639 /nfs/dbraw/zinc/85/66/39/663856639.db2.gz OIKBJPKYEZQAKP-CYBMUJFWSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000820263650 663857427 /nfs/dbraw/zinc/85/74/27/663857427.db2.gz GRHZYUHDALUZJY-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249897 663857590 /nfs/dbraw/zinc/85/75/90/663857590.db2.gz VMLTWINZDVQNTE-UHFFFAOYSA-N 1 1 324.381 -1.252 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000820729190 663858639 /nfs/dbraw/zinc/85/86/39/663858639.db2.gz VICDDPNMQFVKDZ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000820729190 663858641 /nfs/dbraw/zinc/85/86/41/663858641.db2.gz VICDDPNMQFVKDZ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000820729191 663858849 /nfs/dbraw/zinc/85/88/49/663858849.db2.gz VICDDPNMQFVKDZ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC000820729191 663858851 /nfs/dbraw/zinc/85/88/51/663858851.db2.gz VICDDPNMQFVKDZ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cnn(C)n2)CC1=O ZINC000820854032 663859151 /nfs/dbraw/zinc/85/91/51/663859151.db2.gz ZACFELZSEWEUHK-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000822158149 663860851 /nfs/dbraw/zinc/86/08/51/663860851.db2.gz GGFNGNYMQBMCTR-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000822158149 663860854 /nfs/dbraw/zinc/86/08/54/663860854.db2.gz GGFNGNYMQBMCTR-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822453699 663861104 /nfs/dbraw/zinc/86/11/04/663861104.db2.gz LQURCPBXFFNHFT-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C(OC)OC)CC1=O ZINC000822974072 663861528 /nfs/dbraw/zinc/86/15/28/663861528.db2.gz WRDZCKREUYNYSU-NSHDSACASA-N 1 1 317.386 -1.099 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000823132742 663862358 /nfs/dbraw/zinc/86/23/58/663862358.db2.gz HRRNZFFQWIRLSI-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)[C@@H](C)NC(=O)Cn1cnnn1)[C@H]1CC[N@@H+](C)C1 ZINC000824834857 663863144 /nfs/dbraw/zinc/86/31/44/663863144.db2.gz GQBNCDFOWKMZDZ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)[C@H](C)NC(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](C)C1 ZINC000824834859 663863236 /nfs/dbraw/zinc/86/32/36/663863236.db2.gz GQBNCDFOWKMZDZ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@]1(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCS(=O)(=O)N1 ZINC000824297858 663863582 /nfs/dbraw/zinc/86/35/82/663863582.db2.gz IULZTFXPCQQKNW-DMDPSCGWSA-N 1 1 317.411 -1.264 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cnn(C)c1 ZINC000825293736 663864132 /nfs/dbraw/zinc/86/41/32/663864132.db2.gz VCCBSHZZBNKDAE-ZDUSSCGKSA-N 1 1 309.370 -1.314 20 0 DAADMO CCOC(=O)C[C@H](O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825293338 663864374 /nfs/dbraw/zinc/86/43/74/663864374.db2.gz QEWFGRUPVHOKBV-NSHDSACASA-N 1 1 315.370 -1.467 20 0 DAADMO CCN(OC)C(=O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000825979140 663865111 /nfs/dbraw/zinc/86/51/11/663865111.db2.gz INNFZKHAKMXQIY-LLVKDONJSA-N 1 1 301.391 -1.059 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000826708372 663866929 /nfs/dbraw/zinc/86/69/29/663866929.db2.gz VDDHAPZGMIAHKX-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@@H](CO)C1 ZINC000826708372 663866931 /nfs/dbraw/zinc/86/69/31/663866931.db2.gz VDDHAPZGMIAHKX-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827257361 663867859 /nfs/dbraw/zinc/86/78/59/663867859.db2.gz ZVKCNOMRVBXAKM-WDEREUQCSA-N 1 1 304.416 -1.065 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000826708358 663867186 /nfs/dbraw/zinc/86/71/86/663867186.db2.gz VDDHAPZGMIAHKX-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000826708358 663867187 /nfs/dbraw/zinc/86/71/87/663867187.db2.gz VDDHAPZGMIAHKX-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000827087654 663867988 /nfs/dbraw/zinc/86/79/88/663867988.db2.gz PUNCRBWVBJTXPY-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC000827087654 663867989 /nfs/dbraw/zinc/86/79/89/663867989.db2.gz PUNCRBWVBJTXPY-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1CO ZINC000827983604 663868421 /nfs/dbraw/zinc/86/84/21/663868421.db2.gz OGMUVXKBOWSPRT-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@H]1CO ZINC000827983604 663868422 /nfs/dbraw/zinc/86/84/22/663868422.db2.gz OGMUVXKBOWSPRT-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@H]1CC(=O)NC1=O ZINC000828195817 663869091 /nfs/dbraw/zinc/86/90/91/663869091.db2.gz JTGZLQBJFGBXJX-SNVBAGLBSA-N 1 1 310.354 -1.728 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000828510440 663870074 /nfs/dbraw/zinc/87/00/74/663870074.db2.gz IMSVELFLVZXCSI-TUAOUCFPSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961363 663870265 /nfs/dbraw/zinc/87/02/65/663870265.db2.gz WGZCXKFQRKEOFV-GARJFASQSA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961363 663870268 /nfs/dbraw/zinc/87/02/68/663870268.db2.gz WGZCXKFQRKEOFV-GARJFASQSA-N 1 1 315.395 -1.405 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000828958244 663870455 /nfs/dbraw/zinc/87/04/55/663870455.db2.gz BIVATKNKZXTXPP-QJPTWQEYSA-N 1 1 321.385 -1.127 20 0 DAADMO COC(=O)[C@H]1CCCN(CC(=O)NCC[N@@H+](C)CCO)C1=O ZINC000829756453 663870990 /nfs/dbraw/zinc/87/09/90/663870990.db2.gz BSBJGJBZQNMNHH-NSHDSACASA-N 1 1 315.370 -1.562 20 0 DAADMO COC(=O)[C@@H]1CCCN(CC(=O)NCC[N@@H+](C)CCO)C1=O ZINC000829756452 663871254 /nfs/dbraw/zinc/87/12/54/663871254.db2.gz BSBJGJBZQNMNHH-LLVKDONJSA-N 1 1 315.370 -1.562 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)Cn2nnnc2N1C ZINC000830012829 663871625 /nfs/dbraw/zinc/87/16/25/663871625.db2.gz FOWLTOHHFDWUHW-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)Cn2nnnc2N1C ZINC000830012829 663871628 /nfs/dbraw/zinc/87/16/28/663871628.db2.gz FOWLTOHHFDWUHW-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000834692102 663875636 /nfs/dbraw/zinc/87/56/36/663875636.db2.gz ZQFOCOUCMFXIAA-WOPDTQHZSA-N 1 1 324.381 -1.388 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)Cn2nnnc2N1C ZINC000837192392 663876379 /nfs/dbraw/zinc/87/63/79/663876379.db2.gz STALPMPKCIQQJF-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)Cn2nnnc2N1C ZINC000837192392 663876381 /nfs/dbraw/zinc/87/63/81/663876381.db2.gz STALPMPKCIQQJF-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163900 663876730 /nfs/dbraw/zinc/87/67/30/663876730.db2.gz ALCMVLBGMGVJHQ-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCN1 ZINC000842163900 663876731 /nfs/dbraw/zinc/87/67/31/663876731.db2.gz ALCMVLBGMGVJHQ-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(c1ccnnc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842514293 663876815 /nfs/dbraw/zinc/87/68/15/663876815.db2.gz WDPRZWXJMWIECX-UHFFFAOYSA-N 1 1 311.367 -1.464 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163897 663877033 /nfs/dbraw/zinc/87/70/33/663877033.db2.gz ALCMVLBGMGVJHQ-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163897 663877035 /nfs/dbraw/zinc/87/70/35/663877035.db2.gz ALCMVLBGMGVJHQ-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163895 663877100 /nfs/dbraw/zinc/87/71/00/663877100.db2.gz ALCMVLBGMGVJHQ-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCN1 ZINC000842163895 663877101 /nfs/dbraw/zinc/87/71/01/663877101.db2.gz ALCMVLBGMGVJHQ-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164735 663877153 /nfs/dbraw/zinc/87/71/53/663877153.db2.gz NZJATXPEHKTLQH-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164735 663877154 /nfs/dbraw/zinc/87/71/54/663877154.db2.gz NZJATXPEHKTLQH-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO CCC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)COC1 ZINC000842512699 663877318 /nfs/dbraw/zinc/87/73/18/663877318.db2.gz MHHFBXXLOMVYNC-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1CSC[NH2+]1 ZINC000843414542 663878337 /nfs/dbraw/zinc/87/83/37/663878337.db2.gz IBDYZAXHNOSHDC-VIFPVBQESA-N 1 1 309.413 -1.573 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)S1(=O)=O ZINC000843777726 663879104 /nfs/dbraw/zinc/87/91/04/663879104.db2.gz BLXZOMACLNFVAO-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000844021527 663880046 /nfs/dbraw/zinc/88/00/46/663880046.db2.gz ZFUAZJUKYXECAB-PHIMTYICSA-N 1 1 324.385 -1.055 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000844021527 663880047 /nfs/dbraw/zinc/88/00/47/663880047.db2.gz ZFUAZJUKYXECAB-PHIMTYICSA-N 1 1 324.385 -1.055 20 0 DAADMO CCON(C)C(=O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000844967341 663881507 /nfs/dbraw/zinc/88/15/07/663881507.db2.gz BFAFBWILHUTLQS-LLVKDONJSA-N 1 1 301.391 -1.059 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846633980 663888195 /nfs/dbraw/zinc/88/81/95/663888195.db2.gz XDPSROXLPDHJSX-VHSXEESVSA-N 1 1 306.388 -1.980 20 0 DAADMO [NH3+]CCCCCCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848613807 663892356 /nfs/dbraw/zinc/89/23/56/663892356.db2.gz LUHBARWVIYTDOM-QWHCGFSZSA-N 1 1 312.414 -1.101 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848637637 663892475 /nfs/dbraw/zinc/89/24/75/663892475.db2.gz UTXUQJABNFCDEY-XQHKEYJVSA-N 1 1 308.382 -1.916 20 0 DAADMO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848634508 663892535 /nfs/dbraw/zinc/89/25/35/663892535.db2.gz MLBLBSMAKMCHNC-SDDRHHMPSA-N 1 1 324.381 -2.047 20 0 DAADMO CCc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH]n1 ZINC000848932700 663892948 /nfs/dbraw/zinc/89/29/48/663892948.db2.gz BMLXIROYRIGIGL-QWHCGFSZSA-N 1 1 321.381 -1.134 20 0 DAADMO CCc1cc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000848932700 663892949 /nfs/dbraw/zinc/89/29/49/663892949.db2.gz BMLXIROYRIGIGL-QWHCGFSZSA-N 1 1 321.381 -1.134 20 0 DAADMO CCc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n[nH]1 ZINC000848932700 663892952 /nfs/dbraw/zinc/89/29/52/663892952.db2.gz BMLXIROYRIGIGL-QWHCGFSZSA-N 1 1 321.381 -1.134 20 0 DAADMO CNC(=O)[C@H]1C[N@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921259 663896777 /nfs/dbraw/zinc/89/67/77/663896777.db2.gz ZOYRQTYURVVZPQ-IUODEOHRSA-N 1 1 307.350 -1.194 20 0 DAADMO CNC(=O)[C@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921259 663896779 /nfs/dbraw/zinc/89/67/79/663896779.db2.gz ZOYRQTYURVVZPQ-IUODEOHRSA-N 1 1 307.350 -1.194 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000854353033 663901626 /nfs/dbraw/zinc/90/16/26/663901626.db2.gz PTMNTGWLWOEGAV-LLVKDONJSA-N 1 1 321.381 -1.796 20 0 DAADMO CON(C)C(=O)[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000858210260 663909078 /nfs/dbraw/zinc/90/90/78/663909078.db2.gz KPDSOPDDMFAZGA-GHMZBOCLSA-N 1 1 301.391 -1.060 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1COC(=O)N1 ZINC000859418407 663912711 /nfs/dbraw/zinc/91/27/11/663912711.db2.gz CFMUBFKRVQEHHT-NEPJUHHUSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1COC(=O)N1 ZINC000859418414 663912762 /nfs/dbraw/zinc/91/27/62/663912762.db2.gz CFMUBFKRVQEHHT-RYUDHWBXSA-N 1 1 312.370 -1.383 20 0 DAADMO NC(=O)C[C@H]1C[N@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011177 663914040 /nfs/dbraw/zinc/91/40/40/663914040.db2.gz XDDVBUPOPIFHBR-SWLSCSKDSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@H]1C[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000860011177 663914043 /nfs/dbraw/zinc/91/40/43/663914043.db2.gz XDDVBUPOPIFHBR-SWLSCSKDSA-N 1 1 307.350 -1.064 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000885804774 663919543 /nfs/dbraw/zinc/91/95/43/663919543.db2.gz RPZMYFPPLHNXAU-NSHDSACASA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000885804774 663919541 /nfs/dbraw/zinc/91/95/41/663919541.db2.gz RPZMYFPPLHNXAU-NSHDSACASA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)C(=O)CNC(=S)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000863211635 663923668 /nfs/dbraw/zinc/92/36/68/663923668.db2.gz CEEOBRCOTFCDTK-JTQLQIEISA-N 1 1 315.443 -1.122 20 0 DAADMO CC1=C(C(=O)NCC[N@H+]2CC[C@H](O)C2)Cn2nnnc2N1C ZINC000863833364 663927059 /nfs/dbraw/zinc/92/70/59/663927059.db2.gz PFMZSUWNKQTZGE-JTQLQIEISA-N 1 1 307.358 -1.420 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350270 663928890 /nfs/dbraw/zinc/92/88/90/663928890.db2.gz FXEHGPSWSZBPIB-IINYFYTJSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350270 663928894 /nfs/dbraw/zinc/92/88/94/663928894.db2.gz FXEHGPSWSZBPIB-IINYFYTJSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350272 663929305 /nfs/dbraw/zinc/92/93/05/663929305.db2.gz FXEHGPSWSZBPIB-YGRLFVJLSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000864350272 663929308 /nfs/dbraw/zinc/92/93/08/663929308.db2.gz FXEHGPSWSZBPIB-YGRLFVJLSA-N 1 1 314.338 -1.240 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccnn1C ZINC000867628031 663932526 /nfs/dbraw/zinc/93/25/26/663932526.db2.gz OMKFZXHXDAIURM-GRYCIOLGSA-N 1 1 321.381 -1.125 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC(=O)N1 ZINC000867799842 663933314 /nfs/dbraw/zinc/93/33/14/663933314.db2.gz XUJLDWGSROBNSS-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000868285804 663933892 /nfs/dbraw/zinc/93/38/92/663933892.db2.gz KUQPMPWGBUXGJA-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N2)CC1=O ZINC000868386509 663934354 /nfs/dbraw/zinc/93/43/54/663934354.db2.gz GKBSUVXTIZPRBE-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO O=S(=O)(N1CCC[C@H]1Cn1cncn1)N1CC[NH2+]CC1 ZINC000923609989 663935786 /nfs/dbraw/zinc/93/57/86/663935786.db2.gz WJXKHAJPRRATLB-NSHDSACASA-N 1 1 300.388 -1.108 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000923612503 663935821 /nfs/dbraw/zinc/93/58/21/663935821.db2.gz LFNBAUKGUUKYPS-NSHDSACASA-N 1 1 316.387 -1.871 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@H](Cn2cncn2)C1 ZINC000923612496 663936158 /nfs/dbraw/zinc/93/61/58/663936158.db2.gz LFNBAUKGUUKYPS-LLVKDONJSA-N 1 1 316.387 -1.871 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1=O ZINC000869784069 663936609 /nfs/dbraw/zinc/93/66/09/663936609.db2.gz GIQFJUDZPFDXEQ-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 ZINC000870067428 663936729 /nfs/dbraw/zinc/93/67/29/663936729.db2.gz NAHOTSMFFOONSH-KBPBESRZSA-N 1 1 313.398 -1.123 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 ZINC000870067428 663936731 /nfs/dbraw/zinc/93/67/31/663936731.db2.gz NAHOTSMFFOONSH-KBPBESRZSA-N 1 1 313.398 -1.123 20 0 DAADMO C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000923618845 663936844 /nfs/dbraw/zinc/93/68/44/663936844.db2.gz VWXKVAFCJUVGBE-LBPRGKRZSA-N 1 1 305.448 -1.638 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000869784208 663936913 /nfs/dbraw/zinc/93/69/13/663936913.db2.gz TURXSVXCYYPHCT-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 ZINC000870067430 663937120 /nfs/dbraw/zinc/93/71/20/663937120.db2.gz NAHOTSMFFOONSH-KGLIPLIRSA-N 1 1 313.398 -1.123 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 ZINC000870067430 663937122 /nfs/dbraw/zinc/93/71/22/663937122.db2.gz NAHOTSMFFOONSH-KGLIPLIRSA-N 1 1 313.398 -1.123 20 0 DAADMO CNC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+]1CCOCC1 ZINC000871218972 663938653 /nfs/dbraw/zinc/93/86/53/663938653.db2.gz HNMPJUYCVMCTOK-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO C[C@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CNCCO1 ZINC000872302091 663939110 /nfs/dbraw/zinc/93/91/10/663939110.db2.gz ODTIWRUXGDXNTO-MCYUEQNJSA-N 1 1 324.381 -1.242 20 0 DAADMO C[N@H+](C[C@H](O)CNC[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232931 663939211 /nfs/dbraw/zinc/93/92/11/663939211.db2.gz JUDYVAAPSHPDQH-HIFRSBDPSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@@H+](C[C@H](O)CNC[C@@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232931 663939215 /nfs/dbraw/zinc/93/92/15/663939215.db2.gz JUDYVAAPSHPDQH-HIFRSBDPSA-N 1 1 313.398 -1.341 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CNCCO1 ZINC000872302090 663939328 /nfs/dbraw/zinc/93/93/28/663939328.db2.gz ODTIWRUXGDXNTO-FJJYHAOUSA-N 1 1 324.381 -1.242 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616446 663939984 /nfs/dbraw/zinc/93/99/84/663939984.db2.gz DWABQCLKFJZSJR-GRYCIOLGSA-N 1 1 319.427 -1.066 20 0 DAADMO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000872714041 663940245 /nfs/dbraw/zinc/94/02/45/663940245.db2.gz LAKZSBRRTPJBMD-LPEHRKFASA-N 1 1 309.322 -1.488 20 0 DAADMO COC(=O)[C@H]1CC(=O)N(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000872714041 663940247 /nfs/dbraw/zinc/94/02/47/663940247.db2.gz LAKZSBRRTPJBMD-LPEHRKFASA-N 1 1 309.322 -1.488 20 0 DAADMO COC[C@]1(C)NC(=O)N(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714064 663940557 /nfs/dbraw/zinc/94/05/57/663940557.db2.gz LERDEMJVPWAIET-QIBSRJKCSA-N 1 1 324.337 -1.553 20 0 DAADMO COC[C@]1(C)NC(=O)N(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000872714064 663940564 /nfs/dbraw/zinc/94/05/64/663940564.db2.gz LERDEMJVPWAIET-QIBSRJKCSA-N 1 1 324.337 -1.553 20 0 DAADMO O=C(C[NH+]1CCCC1)NCCS(=O)(=O)N1CCOCC1 ZINC000874254998 663940993 /nfs/dbraw/zinc/94/09/93/663940993.db2.gz MNTMSODADIHWJV-UHFFFAOYSA-N 1 1 305.400 -1.140 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000874351682 663941338 /nfs/dbraw/zinc/94/13/38/663941338.db2.gz JQTGARHHZSNWST-STQMWFEESA-N 1 1 310.398 -1.131 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000874898225 663942040 /nfs/dbraw/zinc/94/20/40/663942040.db2.gz NBPUSSDGTHKBHJ-JTQLQIEISA-N 1 1 316.427 -1.256 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000874898225 663942045 /nfs/dbraw/zinc/94/20/45/663942045.db2.gz NBPUSSDGTHKBHJ-JTQLQIEISA-N 1 1 316.427 -1.256 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(CC(=O)NC)CC(=O)NC)C1 ZINC000874897412 663942209 /nfs/dbraw/zinc/94/22/09/663942209.db2.gz IYAOOGMOZAPSLA-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(CC(=O)NC)CC(=O)NC)C1 ZINC000874897412 663942211 /nfs/dbraw/zinc/94/22/11/663942211.db2.gz IYAOOGMOZAPSLA-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCC(CO)(CO)CC1)C1CC1 ZINC000875125341 663943029 /nfs/dbraw/zinc/94/30/29/663943029.db2.gz LYMNZANBTBLNMA-UHFFFAOYSA-N 1 1 313.398 -1.210 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CC(O)(C(=O)OC)C1 ZINC000875095903 663943214 /nfs/dbraw/zinc/94/32/14/663943214.db2.gz FDPBHPJITASNSZ-UHFFFAOYSA-N 1 1 303.359 -1.116 20 0 DAADMO COC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CNCCO1 ZINC000876502725 663946094 /nfs/dbraw/zinc/94/60/94/663946094.db2.gz LMOBNFGIGZLWMV-AWEZNQCLSA-N 1 1 300.403 -1.597 20 0 DAADMO C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000876512044 663946280 /nfs/dbraw/zinc/94/62/80/663946280.db2.gz DRSZZCVRWZKWRI-STQMWFEESA-N 1 1 311.430 -1.454 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000876754057 663946821 /nfs/dbraw/zinc/94/68/21/663946821.db2.gz AXMHGFYQPWSJLL-GXTWGEPZSA-N 1 1 301.387 -1.172 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@]2(COC)CNCCO2)C1 ZINC000876754057 663946823 /nfs/dbraw/zinc/94/68/23/663946823.db2.gz AXMHGFYQPWSJLL-GXTWGEPZSA-N 1 1 301.387 -1.172 20 0 DAADMO CC1CN(CCn2cnnn2)CC[N@@H+](CCn2cnnn2)C1 ZINC000878686167 663952903 /nfs/dbraw/zinc/95/29/03/663952903.db2.gz UMQBSUMMQUYLJP-UHFFFAOYSA-N 1 1 306.378 -1.387 20 0 DAADMO O=C1CC[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352764 663952926 /nfs/dbraw/zinc/95/29/26/663952926.db2.gz CGPIGPRUUFJTNB-NAKRPEOUSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C1CC[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352764 663952931 /nfs/dbraw/zinc/95/29/31/663952931.db2.gz CGPIGPRUUFJTNB-NAKRPEOUSA-N 1 1 320.349 -1.645 20 0 DAADMO COC(=O)[C@@H]1CN(Cc2nnc3c(=O)[nH]ccn23)CC[N@@H+](C)C1 ZINC000878707504 663953327 /nfs/dbraw/zinc/95/33/27/663953327.db2.gz FSTAIKMXGXUSBX-JTQLQIEISA-N 1 1 320.353 -1.046 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879719805 663953738 /nfs/dbraw/zinc/95/37/38/663953738.db2.gz UFDOQIUBNIUENM-GXFFZTMASA-N 1 1 313.354 -1.355 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879719805 663953743 /nfs/dbraw/zinc/95/37/43/663953743.db2.gz UFDOQIUBNIUENM-GXFFZTMASA-N 1 1 313.354 -1.355 20 0 DAADMO CN1C(=O)[C@H]2C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]2C1=O ZINC000879533465 663954009 /nfs/dbraw/zinc/95/40/09/663954009.db2.gz FPTQQEXOFGKPKL-AOOOYVTPSA-N 1 1 324.381 -1.436 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]2C1=O ZINC000879533465 663954013 /nfs/dbraw/zinc/95/40/13/663954013.db2.gz FPTQQEXOFGKPKL-AOOOYVTPSA-N 1 1 324.381 -1.436 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693867 663954307 /nfs/dbraw/zinc/95/43/07/663954307.db2.gz WFJIJBBUDHUGRC-BETUJISGSA-N 1 1 315.414 -1.108 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693867 663954309 /nfs/dbraw/zinc/95/43/09/663954309.db2.gz WFJIJBBUDHUGRC-BETUJISGSA-N 1 1 315.414 -1.108 20 0 DAADMO COCCS(=O)(=O)CCC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532004 663954327 /nfs/dbraw/zinc/95/43/27/663954327.db2.gz PEQZLLFSFIFTGI-PHIMTYICSA-N 1 1 318.395 -1.016 20 0 DAADMO COCCS(=O)(=O)CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532004 663954328 /nfs/dbraw/zinc/95/43/28/663954328.db2.gz PEQZLLFSFIFTGI-PHIMTYICSA-N 1 1 318.395 -1.016 20 0 DAADMO NC(=O)[C@H](C1CC1)[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC000879492180 663954556 /nfs/dbraw/zinc/95/45/56/663954556.db2.gz DUGUIRVMQXXTDS-AWEZNQCLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@H](C1CC1)[N@H+](CC(=O)N1CCNC(=O)C1)CC1CC1 ZINC000879492180 663954560 /nfs/dbraw/zinc/95/45/60/663954560.db2.gz DUGUIRVMQXXTDS-AWEZNQCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C1=O ZINC000879532500 663954710 /nfs/dbraw/zinc/95/47/10/663954710.db2.gz ZGZAFLMLWUPCAS-DTORHVGOSA-N 1 1 308.338 -1.137 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C(=O)N(C)C ZINC000879531365 663954739 /nfs/dbraw/zinc/95/47/39/663954739.db2.gz BVTDSCHEICNPCJ-BBBLOLIVSA-N 1 1 310.354 -1.874 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)C(=O)N(C)C ZINC000879531365 663954741 /nfs/dbraw/zinc/95/47/41/663954741.db2.gz BVTDSCHEICNPCJ-BBBLOLIVSA-N 1 1 310.354 -1.874 20 0 DAADMO C[C@@H]1CN(C(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000879352785 663954858 /nfs/dbraw/zinc/95/48/58/663954858.db2.gz CYVABNYDUDRVJH-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879725475 663955608 /nfs/dbraw/zinc/95/56/08/663955608.db2.gz NPESWJRUIMNYHJ-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)CN(CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC ZINC000880152502 663955647 /nfs/dbraw/zinc/95/56/47/663955647.db2.gz KHDOEZHAQKWVLM-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1C ZINC000128946717 663957381 /nfs/dbraw/zinc/95/73/81/663957381.db2.gz IZIIUQONHUPACF-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000881805728 663957616 /nfs/dbraw/zinc/95/76/16/663957616.db2.gz QMQUUMGZNZFLTK-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000881805728 663957618 /nfs/dbraw/zinc/95/76/18/663957618.db2.gz QMQUUMGZNZFLTK-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882100865 663958309 /nfs/dbraw/zinc/95/83/09/663958309.db2.gz MXGKHGWKIQAVTL-SFHVURJKSA-N 1 1 316.449 -1.027 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882100865 663958315 /nfs/dbraw/zinc/95/83/15/663958315.db2.gz MXGKHGWKIQAVTL-SFHVURJKSA-N 1 1 316.449 -1.027 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000882766995 663960555 /nfs/dbraw/zinc/96/05/55/663960555.db2.gz XHZILIYCNIJEFR-VIFPVBQESA-N 1 1 316.383 -1.544 20 0 DAADMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000882766995 663960557 /nfs/dbraw/zinc/96/05/57/663960557.db2.gz XHZILIYCNIJEFR-VIFPVBQESA-N 1 1 316.383 -1.544 20 0 DAADMO Cn1ccc(S(=O)(=O)NCC[N@H+](C)CCOCCO)n1 ZINC000882755099 663960572 /nfs/dbraw/zinc/96/05/72/663960572.db2.gz XFCLQAVIPHRASN-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO Cn1ccc(S(=O)(=O)NCC[N@@H+](C)CCOCCO)n1 ZINC000882755099 663960574 /nfs/dbraw/zinc/96/05/74/663960574.db2.gz XFCLQAVIPHRASN-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)CC ZINC000882766095 663960728 /nfs/dbraw/zinc/96/07/28/663960728.db2.gz UVPUYTSDJZFVND-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)CC ZINC000882766095 663960732 /nfs/dbraw/zinc/96/07/32/663960732.db2.gz UVPUYTSDJZFVND-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C(N)=O)C1 ZINC001006359371 663962108 /nfs/dbraw/zinc/96/21/08/663962108.db2.gz YNHBDBRYNDWSHP-QMMMGPOBSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CN(C(=O)C(N)=O)C1 ZINC001006359369 663962395 /nfs/dbraw/zinc/96/23/95/663962395.db2.gz YNHBDBRYNDWSHP-MRVPVSSYSA-N 1 1 323.353 -1.202 20 0 DAADMO O=C(COC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884344359 663963636 /nfs/dbraw/zinc/96/36/36/663963636.db2.gz DIBWHKOBEXQQEU-UHFFFAOYSA-N 1 1 303.384 -1.389 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252501 663964002 /nfs/dbraw/zinc/96/40/02/663964002.db2.gz MEMMNHLHJWWVTB-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884562666 663964908 /nfs/dbraw/zinc/96/49/08/663964908.db2.gz HGWBGCZPRMWMFM-SWLSCSKDSA-N 1 1 312.414 -1.251 20 0 DAADMO CCN(C(=O)C(=O)NCCN(C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000884562913 663965116 /nfs/dbraw/zinc/96/51/16/663965116.db2.gz OHBJLNRDAKTWEU-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCN1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884603714 663965912 /nfs/dbraw/zinc/96/59/12/663965912.db2.gz PMYVCMRYMGSZRP-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722286 663966571 /nfs/dbraw/zinc/96/65/71/663966571.db2.gz PPKSMCKDGJGPCN-BDAKNGLRSA-N 1 1 309.313 -1.041 20 0 DAADMO CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722289 663966685 /nfs/dbraw/zinc/96/66/85/663966685.db2.gz PPKSMCKDGJGPCN-RKDXNWHRSA-N 1 1 309.313 -1.041 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)CN2C(=O)CCC2=O)CC1 ZINC001006385437 663968257 /nfs/dbraw/zinc/96/82/57/663968257.db2.gz WAXMBTKBNUVURQ-JTQLQIEISA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886188770 663971729 /nfs/dbraw/zinc/97/17/29/663971729.db2.gz ABJNGQRGGKSWIA-WDEREUQCSA-N 1 1 302.400 -1.169 20 0 DAADMO CCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000887070771 663976136 /nfs/dbraw/zinc/97/61/36/663976136.db2.gz SPGGHHJNUSKYPN-FRRDWIJNSA-N 1 1 310.398 -1.526 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000887701025 663976763 /nfs/dbraw/zinc/97/67/63/663976763.db2.gz JCWCDWLWEFBOBP-JTQLQIEISA-N 1 1 318.349 -1.039 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889770058 663977390 /nfs/dbraw/zinc/97/73/90/663977390.db2.gz PDPKXSRFBAFJFE-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889743604 663977634 /nfs/dbraw/zinc/97/76/34/663977634.db2.gz HMOARVPKSPEGNS-AGIUHOORSA-N 1 1 311.382 -1.099 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889775158 663977668 /nfs/dbraw/zinc/97/76/68/663977668.db2.gz LPUDPYGUZHELRY-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743156 663977811 /nfs/dbraw/zinc/97/78/11/663977811.db2.gz DHRGAAKMIUOZCO-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775157 663977823 /nfs/dbraw/zinc/97/78/23/663977823.db2.gz LPUDPYGUZHELRY-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000889761098 663977847 /nfs/dbraw/zinc/97/78/47/663977847.db2.gz JMILDAZRANNZQU-ZIAGYGMSSA-N 1 1 324.425 -1.182 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000924229147 663979474 /nfs/dbraw/zinc/97/94/74/663979474.db2.gz AZNFVRZCSMVYFW-JQWIXIFHSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000924229147 663979481 /nfs/dbraw/zinc/97/94/81/663979481.db2.gz AZNFVRZCSMVYFW-JQWIXIFHSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000924229145 663979723 /nfs/dbraw/zinc/97/97/23/663979723.db2.gz AZNFVRZCSMVYFW-CMPLNLGQSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000924229145 663979730 /nfs/dbraw/zinc/97/97/30/663979730.db2.gz AZNFVRZCSMVYFW-CMPLNLGQSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[NH+]1CCCCC1 ZINC000930330123 663979794 /nfs/dbraw/zinc/97/97/94/663979794.db2.gz TXRZDSPYRCERLP-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3COCCN3C2=O)CC1 ZINC000925280497 663980189 /nfs/dbraw/zinc/98/01/89/663980189.db2.gz YOVNEWQURWIFEB-LLVKDONJSA-N 1 1 310.354 -1.187 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)CC1 ZINC000925277040 663980371 /nfs/dbraw/zinc/98/03/71/663980371.db2.gz APFLTBQHURCAKQ-YPMHNXCESA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1cc(/C=C\C(=O)NCC[N@@H+](C)CCO)c(=O)n(C)c1=O ZINC000925013215 663980584 /nfs/dbraw/zinc/98/05/84/663980584.db2.gz KYILAYOIWROERF-PLNGDYQASA-N 1 1 310.354 -1.863 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCN1C(=O)[C@@H]2COCCN2C1=O ZINC000925391265 663981463 /nfs/dbraw/zinc/98/14/63/663981463.db2.gz WGHWARRHUVYINV-QWRGUYRKSA-N 1 1 310.354 -1.011 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925424504 663981470 /nfs/dbraw/zinc/98/14/70/663981470.db2.gz MEEGFUVFKHMNDZ-LLVKDONJSA-N 1 1 319.431 -1.082 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925432419 663981658 /nfs/dbraw/zinc/98/16/58/663981658.db2.gz SKIYRZPGHGAKFK-SNVBAGLBSA-N 1 1 305.404 -1.518 20 0 DAADMO CCN1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926295212 663981706 /nfs/dbraw/zinc/98/17/06/663981706.db2.gz MJOPNZIPIZNJCL-HNNXBMFYSA-N 1 1 312.414 -1.147 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000925422337 663981748 /nfs/dbraw/zinc/98/17/48/663981748.db2.gz XQUIZODRVIEKPI-AXFHLTTASA-N 1 1 301.366 -1.113 20 0 DAADMO CN1C[C@@H](O)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926426939 663984270 /nfs/dbraw/zinc/98/42/70/663984270.db2.gz ATKNTMYPDYRVPG-RNJOBUHISA-N 1 1 310.398 -1.765 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000954318038 663985920 /nfs/dbraw/zinc/98/59/20/663985920.db2.gz QENYOMXVQNIWSS-SNVBAGLBSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947035563 663986105 /nfs/dbraw/zinc/98/61/05/663986105.db2.gz BYXPGRCKKGVQBW-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947035898 663986191 /nfs/dbraw/zinc/98/61/91/663986191.db2.gz IKCODYRSACBSCC-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cnnn1C ZINC000947035898 663986195 /nfs/dbraw/zinc/98/61/95/663986195.db2.gz IKCODYRSACBSCC-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929281340 663988090 /nfs/dbraw/zinc/98/80/90/663988090.db2.gz KHEPEABLZPIVPM-OCCSQVGLSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929281340 663988095 /nfs/dbraw/zinc/98/80/95/663988095.db2.gz KHEPEABLZPIVPM-OCCSQVGLSA-N 1 1 304.387 -1.075 20 0 DAADMO C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000929110838 663988208 /nfs/dbraw/zinc/98/82/08/663988208.db2.gz RCACQRIMLQFQLR-OLZOCXBDSA-N 1 1 301.387 -1.796 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000929521800 663988675 /nfs/dbraw/zinc/98/86/75/663988675.db2.gz OWEDFKDCNAGZIT-IHRRRGAJSA-N 1 1 317.430 -1.113 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000929473266 663988751 /nfs/dbraw/zinc/98/87/51/663988751.db2.gz XGMCRKNEMCEQKN-VXGBXAGGSA-N 1 1 322.427 -1.098 20 0 DAADMO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845871 663989158 /nfs/dbraw/zinc/98/91/58/663989158.db2.gz YSJFGBPVYOOQRT-NEPJUHHUSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845871 663989161 /nfs/dbraw/zinc/98/91/61/663989161.db2.gz YSJFGBPVYOOQRT-NEPJUHHUSA-N 1 1 311.382 -1.315 20 0 DAADMO COCC(COC)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929984807 663989571 /nfs/dbraw/zinc/98/95/71/663989571.db2.gz XYXDVTZSZCDQHC-OLZOCXBDSA-N 1 1 322.427 -1.265 20 0 DAADMO CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000930148382 663990070 /nfs/dbraw/zinc/99/00/70/663990070.db2.gz BANQTNOZHYRVLF-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000930176522 663990520 /nfs/dbraw/zinc/99/05/20/663990520.db2.gz DXBYGKQLDDQBRE-YNEHKIRRSA-N 1 1 322.427 -1.098 20 0 DAADMO C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000930539893 663990801 /nfs/dbraw/zinc/99/08/01/663990801.db2.gz CATKTNOGKPHMRX-XQQFMLRXSA-N 1 1 322.427 -1.146 20 0 DAADMO C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000930539894 663990830 /nfs/dbraw/zinc/99/08/30/663990830.db2.gz CATKTNOGKPHMRX-YNEHKIRRSA-N 1 1 322.427 -1.146 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000930484709 663991547 /nfs/dbraw/zinc/99/15/47/663991547.db2.gz NLLCMPVRHXOYDI-SDDRHHMPSA-N 1 1 305.400 -1.128 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000930402315 663991585 /nfs/dbraw/zinc/99/15/85/663991585.db2.gz ORWGWJQNXWQFQG-XHDPSFHLSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000930926456 663992344 /nfs/dbraw/zinc/99/23/44/663992344.db2.gz KJTGRTOICOVFLT-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000931247214 663993114 /nfs/dbraw/zinc/99/31/14/663993114.db2.gz MBTJGCXNUHINNN-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000931247214 663993119 /nfs/dbraw/zinc/99/31/19/663993119.db2.gz MBTJGCXNUHINNN-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCN3CCNC3=O)C[C@]2(C)C1 ZINC000931261558 663993167 /nfs/dbraw/zinc/99/31/67/663993167.db2.gz BLZSXZLWAOYXHS-ABAIWWIYSA-N 1 1 323.397 -1.462 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)C2(O)CCOCC2)CCN1S(C)(=O)=O ZINC000931014389 663993250 /nfs/dbraw/zinc/99/32/50/663993250.db2.gz KLRMBYVNMFOFOY-VXGBXAGGSA-N 1 1 322.427 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)C2(O)CCOCC2)CCN1S(C)(=O)=O ZINC000931014389 663993255 /nfs/dbraw/zinc/99/32/55/663993255.db2.gz KLRMBYVNMFOFOY-VXGBXAGGSA-N 1 1 322.427 -1.146 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000931247213 663993309 /nfs/dbraw/zinc/99/33/09/663993309.db2.gz MBTJGCXNUHINNN-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000931247213 663993312 /nfs/dbraw/zinc/99/33/12/663993312.db2.gz MBTJGCXNUHINNN-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO COC1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CS(=O)(=O)C1 ZINC000931187959 663993338 /nfs/dbraw/zinc/99/33/38/663993338.db2.gz ZRLLFKXFSCYEBD-QWRGUYRKSA-N 1 1 318.395 -1.221 20 0 DAADMO COC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CS(=O)(=O)C1 ZINC000931187959 663993341 /nfs/dbraw/zinc/99/33/41/663993341.db2.gz ZRLLFKXFSCYEBD-QWRGUYRKSA-N 1 1 318.395 -1.221 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931411542 663994100 /nfs/dbraw/zinc/99/41/00/663994100.db2.gz RPMWCUNXRZGIPS-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931411542 663994105 /nfs/dbraw/zinc/99/41/05/663994105.db2.gz RPMWCUNXRZGIPS-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO OC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CO)[C@@H](Cc2ccccc2)C1 ZINC000931734326 663994677 /nfs/dbraw/zinc/99/46/77/663994677.db2.gz NBZOHCFBWYTZBQ-ULQDDVLXSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@@H](O)CN1CC[N@H+](C[C@H](O)CO)C[C@@H]1Cc1ccccc1 ZINC000931734326 663994680 /nfs/dbraw/zinc/99/46/80/663994680.db2.gz NBZOHCFBWYTZBQ-ULQDDVLXSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CO)C[C@@H]1Cc1ccccc1 ZINC000931734326 663994682 /nfs/dbraw/zinc/99/46/82/663994682.db2.gz NBZOHCFBWYTZBQ-ULQDDVLXSA-N 1 1 324.421 -1.078 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931635792 663994831 /nfs/dbraw/zinc/99/48/31/663994831.db2.gz HOSNEYALMCACNM-NXEZZACHSA-N 1 1 304.343 -1.280 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931635792 663994834 /nfs/dbraw/zinc/99/48/34/663994834.db2.gz HOSNEYALMCACNM-NXEZZACHSA-N 1 1 304.343 -1.280 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632759 663994870 /nfs/dbraw/zinc/99/48/70/663994870.db2.gz ANMCZFKOXBFAGO-OLZOCXBDSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632759 663994871 /nfs/dbraw/zinc/99/48/71/663994871.db2.gz ANMCZFKOXBFAGO-OLZOCXBDSA-N 1 1 306.403 -1.019 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632759 663994873 /nfs/dbraw/zinc/99/48/73/663994873.db2.gz ANMCZFKOXBFAGO-OLZOCXBDSA-N 1 1 306.403 -1.019 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931639024 663995047 /nfs/dbraw/zinc/99/50/47/663995047.db2.gz GOIZDAFPLBQPFC-SNVBAGLBSA-N 1 1 304.343 -1.279 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[N@@H+](C)C1CC1 ZINC000931778813 663995121 /nfs/dbraw/zinc/99/51/21/663995121.db2.gz DXLGTLRERVVDED-WPRPVWTQSA-N 1 1 303.384 -1.502 20 0 DAADMO OC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CO)[C@H](Cc2ccccc2)C1 ZINC000931734316 663995547 /nfs/dbraw/zinc/99/55/47/663995547.db2.gz NBZOHCFBWYTZBQ-IKGGRYGDSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@@H](O)CN1CC[N@H+](C[C@H](O)CO)C[C@H]1Cc1ccccc1 ZINC000931734316 663995553 /nfs/dbraw/zinc/99/55/53/663995553.db2.gz NBZOHCFBWYTZBQ-IKGGRYGDSA-N 1 1 324.421 -1.078 20 0 DAADMO OC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CO)C[C@H]1Cc1ccccc1 ZINC000931734316 663995555 /nfs/dbraw/zinc/99/55/55/663995555.db2.gz NBZOHCFBWYTZBQ-IKGGRYGDSA-N 1 1 324.421 -1.078 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1CCSCC1 ZINC000931875317 663996011 /nfs/dbraw/zinc/99/60/11/663996011.db2.gz WDEBNOFQQCUCDC-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1CCSCC1 ZINC000931875317 663996014 /nfs/dbraw/zinc/99/60/14/663996014.db2.gz WDEBNOFQQCUCDC-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931873330 663996251 /nfs/dbraw/zinc/99/62/51/663996251.db2.gz YKMILEZQXWKLBH-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931873330 663996253 /nfs/dbraw/zinc/99/62/53/663996253.db2.gz YKMILEZQXWKLBH-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CCOCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931875006 663996708 /nfs/dbraw/zinc/99/67/08/663996708.db2.gz SZJJFKFTTCMLFE-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCOCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931875006 663996712 /nfs/dbraw/zinc/99/67/12/663996712.db2.gz SZJJFKFTTCMLFE-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000931881614 663996724 /nfs/dbraw/zinc/99/67/24/663996724.db2.gz COSQMKLITAZTCZ-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000931881614 663996726 /nfs/dbraw/zinc/99/67/26/663996726.db2.gz COSQMKLITAZTCZ-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932073272 663997539 /nfs/dbraw/zinc/99/75/39/663997539.db2.gz YFYNUPSPACUUOS-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000932073272 663997544 /nfs/dbraw/zinc/99/75/44/663997544.db2.gz YFYNUPSPACUUOS-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931886171 663997758 /nfs/dbraw/zinc/99/77/58/663997758.db2.gz RNJJJOBVRYVFEQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931886171 663997760 /nfs/dbraw/zinc/99/77/60/663997760.db2.gz RNJJJOBVRYVFEQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931905422 663997764 /nfs/dbraw/zinc/99/77/64/663997764.db2.gz GHXNVWWCICPXPP-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO Cn1nnc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000932265408 663998360 /nfs/dbraw/zinc/99/83/60/663998360.db2.gz IBHNFJBIZPLLDS-SNVBAGLBSA-N 1 1 322.373 -1.020 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932612146 663998991 /nfs/dbraw/zinc/99/89/91/663998991.db2.gz BVFZCCNEZQMJML-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932553775 663999224 /nfs/dbraw/zinc/99/92/24/663999224.db2.gz RCBRLPMSCCYQMN-QWRGUYRKSA-N 1 1 315.395 -1.405 20 0 DAADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932553775 663999225 /nfs/dbraw/zinc/99/92/25/663999225.db2.gz RCBRLPMSCCYQMN-QWRGUYRKSA-N 1 1 315.395 -1.405 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948808 664000014 /nfs/dbraw/zinc/00/00/14/664000014.db2.gz UENMEBGYFPHALW-NWDGAFQWSA-N 1 1 309.432 -1.464 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948808 664000019 /nfs/dbraw/zinc/00/00/19/664000019.db2.gz UENMEBGYFPHALW-NWDGAFQWSA-N 1 1 309.432 -1.464 20 0 DAADMO O=C(C[NH+]1CCC([C@@H]2COC(=O)N2)CC1)N1CCNC(=O)C1 ZINC000932786271 664000364 /nfs/dbraw/zinc/00/03/64/664000364.db2.gz QHXNJYCPSBUUJE-NSHDSACASA-N 1 1 310.354 -1.235 20 0 DAADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000933294514 664000554 /nfs/dbraw/zinc/00/05/54/664000554.db2.gz QDBXBHLIGDBXMU-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H](O)C3(O)CCCC3)CCN21 ZINC000933094050 664001260 /nfs/dbraw/zinc/00/12/60/664001260.db2.gz RPQZEDPOYFNRKB-GHMZBOCLSA-N 1 1 305.400 -1.513 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCCC3)CCN21 ZINC000933094050 664001268 /nfs/dbraw/zinc/00/12/68/664001268.db2.gz RPQZEDPOYFNRKB-GHMZBOCLSA-N 1 1 305.400 -1.513 20 0 DAADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000933294511 664001328 /nfs/dbraw/zinc/00/13/28/664001328.db2.gz QDBXBHLIGDBXMU-NEPJUHHUSA-N 1 1 323.401 -1.024 20 0 DAADMO O=C1CCCN1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933107076 664001344 /nfs/dbraw/zinc/00/13/44/664001344.db2.gz OYTGHQIRIPEWTC-LLVKDONJSA-N 1 1 302.400 -1.167 20 0 DAADMO O=C1CCCN1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933107076 664001349 /nfs/dbraw/zinc/00/13/49/664001349.db2.gz OYTGHQIRIPEWTC-LLVKDONJSA-N 1 1 302.400 -1.167 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCc2nnn(C)c2C1 ZINC000933167834 664001363 /nfs/dbraw/zinc/00/13/63/664001363.db2.gz VCVFCMQGKBUWMP-WDEREUQCSA-N 1 1 320.397 -1.001 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCc2nnn(C)c2C1 ZINC000933167834 664001366 /nfs/dbraw/zinc/00/13/66/664001366.db2.gz VCVFCMQGKBUWMP-WDEREUQCSA-N 1 1 320.397 -1.001 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933435177 664001414 /nfs/dbraw/zinc/00/14/14/664001414.db2.gz OFHCXTCSAABJJO-SDDRHHMPSA-N 1 1 323.401 -1.024 20 0 DAADMO O=C(C[NH+]1CCC(CN2CCNC2=O)CC1)N1CCNC(=O)C1 ZINC000933590313 664001677 /nfs/dbraw/zinc/00/16/77/664001677.db2.gz LBYFMZFWXIXORE-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO O=C(CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1CCNC(=O)C1 ZINC000934252009 664002734 /nfs/dbraw/zinc/00/27/34/664002734.db2.gz IIBMMHQFDKPHKN-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C[C@H]1C ZINC000935070314 664003904 /nfs/dbraw/zinc/00/39/04/664003904.db2.gz BFURZWHGBUCXHH-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000935189681 664004307 /nfs/dbraw/zinc/00/43/07/664004307.db2.gz LIZDLBYPMHDAGK-OUAUKWLOSA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000935189668 664004411 /nfs/dbraw/zinc/00/44/11/664004411.db2.gz LIZDLBYPMHDAGK-AXFHLTTASA-N 1 1 309.374 -1.271 20 0 DAADMO CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935777597 664004799 /nfs/dbraw/zinc/00/47/99/664004799.db2.gz SZHCPFMXOOOTKY-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000935777597 664004805 /nfs/dbraw/zinc/00/48/05/664004805.db2.gz SZHCPFMXOOOTKY-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000935697986 664004861 /nfs/dbraw/zinc/00/48/61/664004861.db2.gz QBGXUUGNXPODOT-GARJFASQSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000935697990 664005369 /nfs/dbraw/zinc/00/53/69/664005369.db2.gz QBGXUUGNXPODOT-MXWKQRLJSA-N 1 1 307.358 -1.802 20 0 DAADMO COC1(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CS(=O)(=O)C1 ZINC000935664533 664005393 /nfs/dbraw/zinc/00/53/93/664005393.db2.gz MEQVGGRCWMFTDD-UHFFFAOYSA-N 1 1 314.367 -1.128 20 0 DAADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000936031005 664005861 /nfs/dbraw/zinc/00/58/61/664005861.db2.gz RYXDMOZIYZTWTL-UWVGGRQHSA-N 1 1 305.400 -1.256 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CC(N)=O ZINC000947396675 664007460 /nfs/dbraw/zinc/00/74/60/664007460.db2.gz ZTMZJQUHOVVTCZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CC(N)=O ZINC000947396675 664007464 /nfs/dbraw/zinc/00/74/64/664007464.db2.gz ZTMZJQUHOVVTCZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000947406882 664007604 /nfs/dbraw/zinc/00/76/04/664007604.db2.gz BFSQWMGPTPAFFM-GRYCIOLGSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000947406883 664007985 /nfs/dbraw/zinc/00/79/85/664007985.db2.gz BFSQWMGPTPAFFM-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000947512812 664008752 /nfs/dbraw/zinc/00/87/52/664008752.db2.gz YXJQQHPJUJLBJJ-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000947512812 664008755 /nfs/dbraw/zinc/00/87/55/664008755.db2.gz YXJQQHPJUJLBJJ-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000947512810 664008886 /nfs/dbraw/zinc/00/88/86/664008886.db2.gz YXJQQHPJUJLBJJ-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000947512810 664008890 /nfs/dbraw/zinc/00/88/90/664008890.db2.gz YXJQQHPJUJLBJJ-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947805337 664010614 /nfs/dbraw/zinc/01/06/14/664010614.db2.gz HJVQYMLCFQSMLO-PSASIEDQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947805337 664010619 /nfs/dbraw/zinc/01/06/19/664010619.db2.gz HJVQYMLCFQSMLO-PSASIEDQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947805340 664010629 /nfs/dbraw/zinc/01/06/29/664010629.db2.gz HJVQYMLCFQSMLO-WPRPVWTQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947805340 664010632 /nfs/dbraw/zinc/01/06/32/664010632.db2.gz HJVQYMLCFQSMLO-WPRPVWTQSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947805339 664010722 /nfs/dbraw/zinc/01/07/22/664010722.db2.gz HJVQYMLCFQSMLO-WCBMZHEXSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947805339 664010729 /nfs/dbraw/zinc/01/07/29/664010729.db2.gz HJVQYMLCFQSMLO-WCBMZHEXSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000947809886 664010920 /nfs/dbraw/zinc/01/09/20/664010920.db2.gz MLGQDYZPHIZSGD-NSHDSACASA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000947809886 664010924 /nfs/dbraw/zinc/01/09/24/664010924.db2.gz MLGQDYZPHIZSGD-NSHDSACASA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[N@@H+]1CC(N)=O ZINC000948017778 664012073 /nfs/dbraw/zinc/01/20/73/664012073.db2.gz XFMPWRLMPJPYDT-BDAKNGLRSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2nccnc2C(N)=O)CC[N@H+]1CC(N)=O ZINC000948017778 664012075 /nfs/dbraw/zinc/01/20/75/664012075.db2.gz XFMPWRLMPJPYDT-BDAKNGLRSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[N@@H+]1CC(N)=O ZINC000948017786 664012209 /nfs/dbraw/zinc/01/22/09/664012209.db2.gz XFMPWRLMPJPYDT-DTWKUNHWSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2nccnc2C(N)=O)CC[N@H+]1CC(N)=O ZINC000948017786 664012214 /nfs/dbraw/zinc/01/22/14/664012214.db2.gz XFMPWRLMPJPYDT-DTWKUNHWSA-N 1 1 320.353 -1.357 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CCCO ZINC000948013465 664012245 /nfs/dbraw/zinc/01/22/45/664012245.db2.gz WVOKVZQOGSYSHL-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000948055650 664013507 /nfs/dbraw/zinc/01/35/07/664013507.db2.gz FETWLUNTAYYMMO-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000948059512 664013609 /nfs/dbraw/zinc/01/36/09/664013609.db2.gz DWBOFIFRZZAYQD-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000948173959 664015970 /nfs/dbraw/zinc/01/59/70/664015970.db2.gz YIBQKIPEDFKZAK-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173195 664015993 /nfs/dbraw/zinc/01/59/93/664015993.db2.gz HSSRFUJQCYGLAC-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948377139 664016284 /nfs/dbraw/zinc/01/62/84/664016284.db2.gz HKVWNQMSINXJPY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948369306 664016921 /nfs/dbraw/zinc/01/69/21/664016921.db2.gz ZGKUUAYPEOQRGZ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948634197 664020037 /nfs/dbraw/zinc/02/00/37/664020037.db2.gz QVIPGDOMLRTJGX-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948820516 664021215 /nfs/dbraw/zinc/02/12/15/664021215.db2.gz LAZFLWANVCHSQN-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000948738538 664021235 /nfs/dbraw/zinc/02/12/35/664021235.db2.gz YCODEAIQBCGLSS-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751761 664021257 /nfs/dbraw/zinc/02/12/57/664021257.db2.gz VSJFZGOOYNDKLU-CYBMUJFWSA-N 1 1 322.413 -1.297 20 0 DAADMO C[C@H](C(N)=O)N1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751506 664021376 /nfs/dbraw/zinc/02/13/76/664021376.db2.gz RIAXGOCWINXTDY-CHWSQXEVSA-N 1 1 322.413 -1.169 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCN(CC(N)=O)CC1 ZINC000948751032 664021588 /nfs/dbraw/zinc/02/15/88/664021588.db2.gz KFAOTBWXTILURF-LBPRGKRZSA-N 1 1 308.386 -1.557 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948864579 664024012 /nfs/dbraw/zinc/02/40/12/664024012.db2.gz HFKVJACPCRCNSK-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 ZINC000949051677 664027410 /nfs/dbraw/zinc/02/74/10/664027410.db2.gz MXMVXYIMMDENBV-LLVKDONJSA-N 1 1 324.381 -1.556 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC000949139777 664028562 /nfs/dbraw/zinc/02/85/62/664028562.db2.gz STPRUWPUWPBBSF-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1cn[nH]n1)CCO2 ZINC000949132559 664028883 /nfs/dbraw/zinc/02/88/83/664028883.db2.gz AQXMKMBNLIPYDK-UHFFFAOYSA-N 1 1 308.342 -1.403 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CN1CN=NC1=O ZINC000949138258 664029178 /nfs/dbraw/zinc/02/91/78/664029178.db2.gz CZTXEXLCJJWWIF-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CN1CN=NC1=O ZINC000949138256 664029220 /nfs/dbraw/zinc/02/92/20/664029220.db2.gz CZTXEXLCJJWWIF-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCOC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000949156569 664029663 /nfs/dbraw/zinc/02/96/63/664029663.db2.gz RHYLWOIHTQRXIC-UHFFFAOYSA-N 1 1 322.369 -1.095 20 0 DAADMO Cn1nncc1C[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949174326 664029672 /nfs/dbraw/zinc/02/96/72/664029672.db2.gz PVBLDBJXXNNYQA-UHFFFAOYSA-N 1 1 322.369 -1.506 20 0 DAADMO CNC(=O)C[NH+]1CCC2(CC1)CN(C(=O)c1nc[nH]n1)CCO2 ZINC000949209427 664030662 /nfs/dbraw/zinc/03/06/62/664030662.db2.gz AZMRJBFBTUBUPB-UHFFFAOYSA-N 1 1 322.369 -1.142 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239366 664031299 /nfs/dbraw/zinc/03/12/99/664031299.db2.gz RIGAUXFFVNQMQO-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239366 664031301 /nfs/dbraw/zinc/03/13/01/664031301.db2.gz RIGAUXFFVNQMQO-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000949239797 664031790 /nfs/dbraw/zinc/03/17/90/664031790.db2.gz VGGOTMCLNPVADM-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000949239797 664031794 /nfs/dbraw/zinc/03/17/94/664031794.db2.gz VGGOTMCLNPVADM-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244229 664031990 /nfs/dbraw/zinc/03/19/90/664031990.db2.gz YIUAPSKEJNGWRK-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244229 664031992 /nfs/dbraw/zinc/03/19/92/664031992.db2.gz YIUAPSKEJNGWRK-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC000949239800 664032173 /nfs/dbraw/zinc/03/21/73/664032173.db2.gz VGGOTMCLNPVADM-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC000949239800 664032176 /nfs/dbraw/zinc/03/21/76/664032176.db2.gz VGGOTMCLNPVADM-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(Cn1ncnn1)N1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000949366206 664033712 /nfs/dbraw/zinc/03/37/12/664033712.db2.gz YJRGNHQLXRVSQU-UHFFFAOYSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380454 664034708 /nfs/dbraw/zinc/03/47/08/664034708.db2.gz HCGUWGHHXQMORQ-ZMDMRTEPSA-N 1 1 322.409 -1.132 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000949648484 664040090 /nfs/dbraw/zinc/04/00/90/664040090.db2.gz IPGRDLNUBPBPMR-OLZOCXBDSA-N 1 1 321.381 -1.476 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000949947755 664048746 /nfs/dbraw/zinc/04/87/46/664048746.db2.gz JKMLOLNIZUQLCA-QWRGUYRKSA-N 1 1 319.369 -1.409 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CN=NC2=O)C1 ZINC000950065124 664050647 /nfs/dbraw/zinc/05/06/47/664050647.db2.gz UBQLJDQWWRQVBS-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000950076972 664050675 /nfs/dbraw/zinc/05/06/75/664050675.db2.gz KLAFWUOBZVNFIE-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000950077673 664050901 /nfs/dbraw/zinc/05/09/01/664050901.db2.gz TYDOQZUQSOIPRL-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000950076973 664051040 /nfs/dbraw/zinc/05/10/40/664051040.db2.gz KLAFWUOBZVNFIE-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC000950232131 664052915 /nfs/dbraw/zinc/05/29/15/664052915.db2.gz WFQSNVZEWSGTLJ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000950230894 664052947 /nfs/dbraw/zinc/05/29/47/664052947.db2.gz KOMSIUJNSBOBOD-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000950232129 664053181 /nfs/dbraw/zinc/05/31/81/664053181.db2.gz WFQSNVZEWSGTLJ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271492 664054546 /nfs/dbraw/zinc/05/45/46/664054546.db2.gz NPJPXAUNSDGFBN-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271492 664054551 /nfs/dbraw/zinc/05/45/51/664054551.db2.gz NPJPXAUNSDGFBN-MNOVXSKESA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271338 664054573 /nfs/dbraw/zinc/05/45/73/664054573.db2.gz KJJNXXTZVFDXCV-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271338 664054576 /nfs/dbraw/zinc/05/45/76/664054576.db2.gz KJJNXXTZVFDXCV-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271491 664054801 /nfs/dbraw/zinc/05/48/01/664054801.db2.gz NPJPXAUNSDGFBN-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271491 664054804 /nfs/dbraw/zinc/05/48/04/664054804.db2.gz NPJPXAUNSDGFBN-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000950866049 664063472 /nfs/dbraw/zinc/06/34/72/664063472.db2.gz FXWMBUFGXOJAFV-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)no1 ZINC000950874898 664064302 /nfs/dbraw/zinc/06/43/02/664064302.db2.gz WPNULFFLXBMCIY-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000950906601 664064930 /nfs/dbraw/zinc/06/49/30/664064930.db2.gz QGHYFMSETFWKPO-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC000950923298 664065912 /nfs/dbraw/zinc/06/59/12/664065912.db2.gz DMUOQYBDDYPKOD-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC000950930493 664065998 /nfs/dbraw/zinc/06/59/98/664065998.db2.gz GEGYNEBQOVLRGU-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000951010333 664068318 /nfs/dbraw/zinc/06/83/18/664068318.db2.gz PFSIDFDJERFKGH-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000951010333 664068321 /nfs/dbraw/zinc/06/83/21/664068321.db2.gz PFSIDFDJERFKGH-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000951010332 664068531 /nfs/dbraw/zinc/06/85/31/664068531.db2.gz PFSIDFDJERFKGH-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000951010332 664068532 /nfs/dbraw/zinc/06/85/32/664068532.db2.gz PFSIDFDJERFKGH-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)O1 ZINC000951237989 664072936 /nfs/dbraw/zinc/07/29/36/664072936.db2.gz AYQBTXKPPZWCQF-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)O1 ZINC000951237989 664072941 /nfs/dbraw/zinc/07/29/41/664072941.db2.gz AYQBTXKPPZWCQF-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310316 664075081 /nfs/dbraw/zinc/07/50/81/664075081.db2.gz QXWKKUCJRACLTA-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310316 664075086 /nfs/dbraw/zinc/07/50/86/664075086.db2.gz QXWKKUCJRACLTA-CMPLNLGQSA-N 1 1 322.369 -1.144 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000951357383 664075985 /nfs/dbraw/zinc/07/59/85/664075985.db2.gz KRVGRYNSQXPHEU-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000951441312 664077577 /nfs/dbraw/zinc/07/75/77/664077577.db2.gz AOROBIVQMAEFGS-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000951441312 664077579 /nfs/dbraw/zinc/07/75/79/664077579.db2.gz AOROBIVQMAEFGS-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000951441310 664077783 /nfs/dbraw/zinc/07/77/83/664077783.db2.gz AOROBIVQMAEFGS-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000951441310 664077788 /nfs/dbraw/zinc/07/77/88/664077788.db2.gz AOROBIVQMAEFGS-GHMZBOCLSA-N 1 1 322.369 -1.226 20 0 DAADMO COCC[NH+]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000951702955 664092450 /nfs/dbraw/zinc/09/24/50/664092450.db2.gz HERPQTIWFALHCN-UHFFFAOYSA-N 1 1 310.354 -1.235 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001006481591 664094836 /nfs/dbraw/zinc/09/48/36/664094836.db2.gz CBTVXIDAPXRNQT-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006481830 664095155 /nfs/dbraw/zinc/09/51/55/664095155.db2.gz GRLSYTUQMSEWIP-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006482376 664095844 /nfs/dbraw/zinc/09/58/44/664095844.db2.gz ZWQOIWIRANQESP-NSHDSACASA-N 1 1 311.386 -1.062 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000951879240 664102739 /nfs/dbraw/zinc/10/27/39/664102739.db2.gz UGUOCHIABSNIEV-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001006483310 664103982 /nfs/dbraw/zinc/10/39/82/664103982.db2.gz UUCGMFUAZXOPQP-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)C2 ZINC000952152339 664107412 /nfs/dbraw/zinc/10/74/12/664107412.db2.gz FEHFRKLTHAQWCF-MNOVXSKESA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952686364 664112449 /nfs/dbraw/zinc/11/24/49/664112449.db2.gz SXYHMGOXYJMWLP-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952686364 664112454 /nfs/dbraw/zinc/11/24/54/664112454.db2.gz SXYHMGOXYJMWLP-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953172113 664114893 /nfs/dbraw/zinc/11/48/93/664114893.db2.gz JCTJTZCAZPJUPY-NHYWBVRUSA-N 1 1 308.382 -1.126 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCN(C(=O)C(N)=O)CC1 ZINC000953834930 664126169 /nfs/dbraw/zinc/12/61/69/664126169.db2.gz WFHFUPULMWNCQD-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCN(C(=O)C(N)=O)CC1 ZINC000953834930 664126171 /nfs/dbraw/zinc/12/61/71/664126171.db2.gz WFHFUPULMWNCQD-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000953898352 664128549 /nfs/dbraw/zinc/12/85/49/664128549.db2.gz PETJMRQLPXLEIS-QWRGUYRKSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953898470 664128611 /nfs/dbraw/zinc/12/86/11/664128611.db2.gz SGRVCTHLMMNIOG-NSHDSACASA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000953898350 664128650 /nfs/dbraw/zinc/12/86/50/664128650.db2.gz PETJMRQLPXLEIS-GHMZBOCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953905459 664129440 /nfs/dbraw/zinc/12/94/40/664129440.db2.gz ZUVINMKNVVAHLY-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2nccn2)C1 ZINC000953957751 664130238 /nfs/dbraw/zinc/13/02/38/664130238.db2.gz IEFUTUKFSGYZNA-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2nccn2)C1 ZINC000953957751 664130243 /nfs/dbraw/zinc/13/02/43/664130243.db2.gz IEFUTUKFSGYZNA-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000953957431 664130324 /nfs/dbraw/zinc/13/03/24/664130324.db2.gz ZLJSJRJVPXEOOM-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000953957431 664130326 /nfs/dbraw/zinc/13/03/26/664130326.db2.gz ZLJSJRJVPXEOOM-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000953960052 664130480 /nfs/dbraw/zinc/13/04/80/664130480.db2.gz YOWJNQXGLGHKBO-LLVKDONJSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn[nH]n2)C1 ZINC000953960052 664130485 /nfs/dbraw/zinc/13/04/85/664130485.db2.gz YOWJNQXGLGHKBO-LLVKDONJSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953959287 664130621 /nfs/dbraw/zinc/13/06/21/664130621.db2.gz AXEWNBSSTVNQAP-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953959287 664130625 /nfs/dbraw/zinc/13/06/25/664130625.db2.gz AXEWNBSSTVNQAP-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953959285 664130728 /nfs/dbraw/zinc/13/07/28/664130728.db2.gz AXEWNBSSTVNQAP-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000953959285 664130730 /nfs/dbraw/zinc/13/07/30/664130730.db2.gz AXEWNBSSTVNQAP-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnn(C)n2)C1 ZINC000953958673 664131072 /nfs/dbraw/zinc/13/10/72/664131072.db2.gz XSBVLJZXMHDAEI-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnn(C)n2)C1 ZINC000953958673 664131075 /nfs/dbraw/zinc/13/10/75/664131075.db2.gz XSBVLJZXMHDAEI-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000953958755 664131100 /nfs/dbraw/zinc/13/11/00/664131100.db2.gz ZLJSJRJVPXEOOM-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000953958755 664131102 /nfs/dbraw/zinc/13/11/02/664131102.db2.gz ZLJSJRJVPXEOOM-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000953957761 664131113 /nfs/dbraw/zinc/13/11/13/664131113.db2.gz IMSYKLUTBRIBJA-LLVKDONJSA-N 1 1 324.381 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000953957761 664131114 /nfs/dbraw/zinc/13/11/14/664131114.db2.gz IMSYKLUTBRIBJA-LLVKDONJSA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC000954193502 664138560 /nfs/dbraw/zinc/13/85/60/664138560.db2.gz NJJJBTJGSNQZPK-LLVKDONJSA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954193537 664138581 /nfs/dbraw/zinc/13/85/81/664138581.db2.gz OHBOQDPKANJRMU-MWLCHTKSSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000954318797 664142829 /nfs/dbraw/zinc/14/28/29/664142829.db2.gz ZUIVZCKOQDWZFQ-GXTWGEPZSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000954314826 664142882 /nfs/dbraw/zinc/14/28/82/664142882.db2.gz AXUGDPRRJGUATR-MWLCHTKSSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954314827 664143134 /nfs/dbraw/zinc/14/31/34/664143134.db2.gz AXUGDPRRJGUATR-ONGXEEELSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC000954318476 664143264 /nfs/dbraw/zinc/14/32/64/664143264.db2.gz UXVHIQBDUHUZHU-SNVBAGLBSA-N 1 1 322.369 -1.395 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000954327563 664144076 /nfs/dbraw/zinc/14/40/76/664144076.db2.gz OWCSYGHIXVGFJK-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954350938 664144609 /nfs/dbraw/zinc/14/46/09/664144609.db2.gz FUTCCHRRBPMMHA-NSHDSACASA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954347787 664144740 /nfs/dbraw/zinc/14/47/40/664144740.db2.gz AKEMECLLUINWGK-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954347787 664144746 /nfs/dbraw/zinc/14/47/46/664144746.db2.gz AKEMECLLUINWGK-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954356438 664145866 /nfs/dbraw/zinc/14/58/66/664145866.db2.gz VAEOBGYTJGIABH-ZYHUDNBSSA-N 1 1 321.385 -1.460 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000954423644 664148272 /nfs/dbraw/zinc/14/82/72/664148272.db2.gz BQJAEGIKLQHRAO-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000954423644 664148278 /nfs/dbraw/zinc/14/82/78/664148278.db2.gz BQJAEGIKLQHRAO-LLVKDONJSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000954424294 664148364 /nfs/dbraw/zinc/14/83/64/664148364.db2.gz HQIOYZKKWXLLIV-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000954424294 664148368 /nfs/dbraw/zinc/14/83/68/664148368.db2.gz HQIOYZKKWXLLIV-NSHDSACASA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954472948 664148709 /nfs/dbraw/zinc/14/87/09/664148709.db2.gz MDOBDYWQECZBSM-MWLCHTKSSA-N 1 1 310.354 -1.996 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)CC(N)=O)C1 ZINC000954472553 664148734 /nfs/dbraw/zinc/14/87/34/664148734.db2.gz HNQFUMMCXFZQPV-CMPLNLGQSA-N 1 1 324.381 -1.606 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954472949 664148896 /nfs/dbraw/zinc/14/88/96/664148896.db2.gz MDOBDYWQECZBSM-ONGXEEELSA-N 1 1 310.354 -1.996 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC000954646026 664152685 /nfs/dbraw/zinc/15/26/85/664152685.db2.gz BIKZVNZMATZMNN-BXKDBHETSA-N 1 1 322.369 -1.193 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC000954646026 664152689 /nfs/dbraw/zinc/15/26/89/664152689.db2.gz BIKZVNZMATZMNN-BXKDBHETSA-N 1 1 322.369 -1.193 20 0 DAADMO Cc1nonc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954666917 664153235 /nfs/dbraw/zinc/15/32/35/664153235.db2.gz SHRZDPQSYMXUAH-NSHDSACASA-N 1 1 323.353 -1.009 20 0 DAADMO Cc1nonc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954666917 664153238 /nfs/dbraw/zinc/15/32/38/664153238.db2.gz SHRZDPQSYMXUAH-NSHDSACASA-N 1 1 323.353 -1.009 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954704269 664153534 /nfs/dbraw/zinc/15/35/34/664153534.db2.gz BUEPXAAQZBVGIO-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954709087 664154330 /nfs/dbraw/zinc/15/43/30/664154330.db2.gz GMQRUZKPZCHHMP-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2nccn2)n1 ZINC001037015610 664154683 /nfs/dbraw/zinc/15/46/83/664154683.db2.gz CBESAZKTEHTJLV-WDEREUQCSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cn2nccn2)n1 ZINC001037015609 664154708 /nfs/dbraw/zinc/15/47/08/664154708.db2.gz CBESAZKTEHTJLV-QWRGUYRKSA-N 1 1 319.373 -1.124 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)C1 ZINC000954729294 664155290 /nfs/dbraw/zinc/15/52/90/664155290.db2.gz ATLNSKSDPPDFOG-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(N(C)C(=O)c3cn[nH]n3)C2)C1 ZINC000954729294 664155292 /nfs/dbraw/zinc/15/52/92/664155292.db2.gz ATLNSKSDPPDFOG-LBPRGKRZSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1cnn(C)n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954776902 664156796 /nfs/dbraw/zinc/15/67/96/664156796.db2.gz QWUYBBXAXZVWJF-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cnn(C)n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954776902 664156801 /nfs/dbraw/zinc/15/68/01/664156801.db2.gz QWUYBBXAXZVWJF-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954961508 664163006 /nfs/dbraw/zinc/16/30/06/664163006.db2.gz NBXYHQSUGHKWKR-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954961508 664163010 /nfs/dbraw/zinc/16/30/10/664163010.db2.gz NBXYHQSUGHKWKR-RYUDHWBXSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954963564 664163684 /nfs/dbraw/zinc/16/36/84/664163684.db2.gz AOUWNFYYUDKHQX-PWSUYJOCSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955029243 664167232 /nfs/dbraw/zinc/16/72/32/664167232.db2.gz SHOYSHRZWJFROX-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955029588 664167579 /nfs/dbraw/zinc/16/75/79/664167579.db2.gz IMXASQHRBBQTLD-JTQLQIEISA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000955029583 664167747 /nfs/dbraw/zinc/16/77/47/664167747.db2.gz AFTCUJFVVZRFMW-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000955029722 664168176 /nfs/dbraw/zinc/16/81/76/664168176.db2.gz CFKCZDWHOPYIAE-UHFFFAOYSA-N 1 1 321.385 -1.023 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C1CN(C(=O)C(N)=O)C1)CC2 ZINC000955136075 664171903 /nfs/dbraw/zinc/17/19/03/664171903.db2.gz JBNNSZDKKMFHIL-SNVBAGLBSA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955150177 664172371 /nfs/dbraw/zinc/17/23/71/664172371.db2.gz NNMXFECCNLBMEO-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955150179 664172408 /nfs/dbraw/zinc/17/24/08/664172408.db2.gz NNMXFECCNLBMEO-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955150175 664172612 /nfs/dbraw/zinc/17/26/12/664172612.db2.gz NNMXFECCNLBMEO-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000955154428 664174511 /nfs/dbraw/zinc/17/45/11/664174511.db2.gz VEPQJHZRTSVUBQ-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955153528 664174679 /nfs/dbraw/zinc/17/46/79/664174679.db2.gz LIRBUFPQEWNQMG-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000955154424 664175004 /nfs/dbraw/zinc/17/50/04/664175004.db2.gz VEPQJHZRTSVUBQ-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955155009 664175967 /nfs/dbraw/zinc/17/59/67/664175967.db2.gz ZQRKTODPJJKYFR-MWLCHTKSSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000955163274 664178824 /nfs/dbraw/zinc/17/88/24/664178824.db2.gz PSFRICWRRSTRKF-UHFFFAOYSA-N 1 1 319.365 -1.084 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000955163644 664178838 /nfs/dbraw/zinc/17/88/38/664178838.db2.gz WVUDKBLPEDYGOD-ONGXEEELSA-N 1 1 310.354 -1.996 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000955163643 664178980 /nfs/dbraw/zinc/17/89/80/664178980.db2.gz WVUDKBLPEDYGOD-MWLCHTKSSA-N 1 1 310.354 -1.996 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955337218 664181501 /nfs/dbraw/zinc/18/15/01/664181501.db2.gz IMWZNSWHWQKASL-NSHDSACASA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955342468 664181676 /nfs/dbraw/zinc/18/16/76/664181676.db2.gz ZQXRAFXUCWAUCL-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955342472 664181858 /nfs/dbraw/zinc/18/18/58/664181858.db2.gz ZQXRAFXUCWAUCL-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955346292 664182068 /nfs/dbraw/zinc/18/20/68/664182068.db2.gz JOCYPRHJKUFTKS-KOLCDFICSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955347157 664182167 /nfs/dbraw/zinc/18/21/67/664182167.db2.gz MJUOLWSJIPWJPP-ZYHUDNBSSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955347095 664182218 /nfs/dbraw/zinc/18/22/18/664182218.db2.gz NLQCCTSAVCHGBK-WOPDTQHZSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955347095 664182220 /nfs/dbraw/zinc/18/22/20/664182220.db2.gz NLQCCTSAVCHGBK-WOPDTQHZSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000955345255 664182521 /nfs/dbraw/zinc/18/25/21/664182521.db2.gz QEHTYXCTXFDPPB-GRYCIOLGSA-N 1 1 308.382 -1.129 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000955345126 664182611 /nfs/dbraw/zinc/18/26/11/664182611.db2.gz RUNVBEXDDGHQSR-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955350226 664182893 /nfs/dbraw/zinc/18/28/93/664182893.db2.gz RKSAJTJRAYKDRE-ZYHUDNBSSA-N 1 1 321.385 -1.460 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000955351384 664183008 /nfs/dbraw/zinc/18/30/08/664183008.db2.gz UPTYNFLBCLLXCF-NEPJUHHUSA-N 1 1 319.365 -1.018 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955376869 664183853 /nfs/dbraw/zinc/18/38/53/664183853.db2.gz CBARUDIHMQUQCL-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955376869 664183854 /nfs/dbraw/zinc/18/38/54/664183854.db2.gz CBARUDIHMQUQCL-GFCCVEGCSA-N 1 1 322.369 -1.722 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cn2cnnn2)C1 ZINC000955880422 664190132 /nfs/dbraw/zinc/19/01/32/664190132.db2.gz BFOKTIZDBKHICN-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000955935040 664191130 /nfs/dbraw/zinc/19/11/30/664191130.db2.gz PLZLABIPRMWHES-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CC(N)=O)C1 ZINC000955935040 664191133 /nfs/dbraw/zinc/19/11/33/664191133.db2.gz PLZLABIPRMWHES-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC000956026674 664193241 /nfs/dbraw/zinc/19/32/41/664193241.db2.gz ZMIYFTOJPJWPKH-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000956150154 664194913 /nfs/dbraw/zinc/19/49/13/664194913.db2.gz SNPPJRLCJRTJIS-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2nc[nH]n2)C1 ZINC000956150154 664194918 /nfs/dbraw/zinc/19/49/18/664194918.db2.gz SNPPJRLCJRTJIS-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000956946840 664204017 /nfs/dbraw/zinc/20/40/17/664204017.db2.gz OAZKYULJFNRZCW-HZMBPMFUSA-N 1 1 321.385 -1.117 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000956938524 664204046 /nfs/dbraw/zinc/20/40/46/664204046.db2.gz YQCHYGITGDMYBS-XJKSGUPXSA-N 1 1 324.425 -1.278 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261013 664204248 /nfs/dbraw/zinc/20/42/48/664204248.db2.gz PBIRUROVBLSAFA-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001007261013 664204252 /nfs/dbraw/zinc/20/42/52/664204252.db2.gz PBIRUROVBLSAFA-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000957688326 664217462 /nfs/dbraw/zinc/21/74/62/664217462.db2.gz NRACDVRBTUQAAI-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CC[NH+](CCCO)CC1 ZINC000957099245 664205780 /nfs/dbraw/zinc/20/57/80/664205780.db2.gz NCXBKZFFBFCXPX-UHFFFAOYSA-N 1 1 323.397 -1.092 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)O1 ZINC000957161830 664206607 /nfs/dbraw/zinc/20/66/07/664206607.db2.gz RIFMIVBYGOUBDX-GPCCPHFNSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)O1 ZINC000957161830 664206611 /nfs/dbraw/zinc/20/66/11/664206611.db2.gz RIFMIVBYGOUBDX-GPCCPHFNSA-N 1 1 312.370 -1.702 20 0 DAADMO O=C(Cn1cncn1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000957575470 664215040 /nfs/dbraw/zinc/21/50/40/664215040.db2.gz BAXPGRUHWALMHZ-CYBMUJFWSA-N 1 1 319.369 -1.320 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000957665072 664216555 /nfs/dbraw/zinc/21/65/55/664216555.db2.gz CWAMETBYJDSEPD-UHFFFAOYSA-N 1 1 319.369 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000957649198 664216626 /nfs/dbraw/zinc/21/66/26/664216626.db2.gz HJNMVMQBPUCNQR-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000957688614 664216928 /nfs/dbraw/zinc/21/69/28/664216928.db2.gz ZZGFDWZEZQLQHO-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnnn3C)CC2)C1 ZINC000957730578 664217332 /nfs/dbraw/zinc/21/73/32/664217332.db2.gz KZRMEJHVSGMSCH-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3nnnn3C)CC2)C1 ZINC000957730578 664217334 /nfs/dbraw/zinc/21/73/34/664217334.db2.gz KZRMEJHVSGMSCH-GFCCVEGCSA-N 1 1 323.401 -1.425 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC000957788620 664217752 /nfs/dbraw/zinc/21/77/52/664217752.db2.gz MXDJEGRRLSSOQC-VXGBXAGGSA-N 1 1 305.400 -1.549 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC000957788618 664217794 /nfs/dbraw/zinc/21/77/94/664217794.db2.gz MXDJEGRRLSSOQC-NWDGAFQWSA-N 1 1 305.400 -1.549 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC000957785735 664217895 /nfs/dbraw/zinc/21/78/95/664217895.db2.gz YVJUENWKDOSQCY-CHWSQXEVSA-N 1 1 311.382 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC000957785735 664217896 /nfs/dbraw/zinc/21/78/96/664217896.db2.gz YVJUENWKDOSQCY-CHWSQXEVSA-N 1 1 311.382 -1.336 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC000957780409 664217990 /nfs/dbraw/zinc/21/79/90/664217990.db2.gz RCLGDRYMADHJKR-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1)N1CCNC(=O)C1 ZINC000957785258 664218130 /nfs/dbraw/zinc/21/81/30/664218130.db2.gz VGYBYTOYMMHPTA-VXGBXAGGSA-N 1 1 324.381 -2.236 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1)N1CCNC(=O)C1 ZINC000957785258 664218135 /nfs/dbraw/zinc/21/81/35/664218135.db2.gz VGYBYTOYMMHPTA-VXGBXAGGSA-N 1 1 324.381 -2.236 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC000957788619 664218145 /nfs/dbraw/zinc/21/81/45/664218145.db2.gz MXDJEGRRLSSOQC-RYUDHWBXSA-N 1 1 305.400 -1.549 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC000957788617 664218280 /nfs/dbraw/zinc/21/82/80/664218280.db2.gz MXDJEGRRLSSOQC-NEPJUHHUSA-N 1 1 305.400 -1.549 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CCC1 ZINC000957802057 664218700 /nfs/dbraw/zinc/21/87/00/664218700.db2.gz AQAOUWZHPGHFIF-RYUDHWBXSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CCC1 ZINC000957802056 664219018 /nfs/dbraw/zinc/21/90/18/664219018.db2.gz AQAOUWZHPGHFIF-NWDGAFQWSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835633 664219480 /nfs/dbraw/zinc/21/94/80/664219480.db2.gz ZPDWBWITUNGRNR-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835633 664219482 /nfs/dbraw/zinc/21/94/82/664219482.db2.gz ZPDWBWITUNGRNR-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 ZINC000957833358 664219662 /nfs/dbraw/zinc/21/96/62/664219662.db2.gz AOOYVHRXOHNXLY-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 ZINC000957833358 664219664 /nfs/dbraw/zinc/21/96/64/664219664.db2.gz AOOYVHRXOHNXLY-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835298 664219980 /nfs/dbraw/zinc/21/99/80/664219980.db2.gz UOMPMDRIWBOHDR-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835298 664219986 /nfs/dbraw/zinc/21/99/86/664219986.db2.gz UOMPMDRIWBOHDR-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC000957838085 664220333 /nfs/dbraw/zinc/22/03/33/664220333.db2.gz IKMLFFNLPFKGOW-AAEUAGOBSA-N 1 1 317.353 -1.209 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957842447 664220366 /nfs/dbraw/zinc/22/03/66/664220366.db2.gz MTUJGZYVPHGMPO-CHWSQXEVSA-N 1 1 322.365 -1.569 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957842447 664220368 /nfs/dbraw/zinc/22/03/68/664220368.db2.gz MTUJGZYVPHGMPO-CHWSQXEVSA-N 1 1 322.365 -1.569 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837874 664220532 /nfs/dbraw/zinc/22/05/32/664220532.db2.gz GBFAMUXOOOXGNG-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)cn2)C1 ZINC000957837874 664220535 /nfs/dbraw/zinc/22/05/35/664220535.db2.gz GBFAMUXOOOXGNG-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846234 664220663 /nfs/dbraw/zinc/22/06/63/664220663.db2.gz GDTRGXLFULUPBH-GXSJLCMTSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957846234 664220666 /nfs/dbraw/zinc/22/06/66/664220666.db2.gz GDTRGXLFULUPBH-GXSJLCMTSA-N 1 1 323.353 -1.707 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC000957838087 664220692 /nfs/dbraw/zinc/22/06/92/664220692.db2.gz IKMLFFNLPFKGOW-WCQYABFASA-N 1 1 317.353 -1.209 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000957841949 664220718 /nfs/dbraw/zinc/22/07/18/664220718.db2.gz HARQJHGIDMMXKD-GMTAPVOTSA-N 1 1 321.385 -1.262 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855477 664221155 /nfs/dbraw/zinc/22/11/55/664221155.db2.gz OAAUCTCUKBLALF-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855477 664221158 /nfs/dbraw/zinc/22/11/58/664221158.db2.gz OAAUCTCUKBLALF-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)[nH]n1 ZINC000957881974 664221213 /nfs/dbraw/zinc/22/12/13/664221213.db2.gz IBLAVVWIFYHDBA-JOYOIKCWSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)[nH]n1 ZINC000957881974 664221217 /nfs/dbraw/zinc/22/12/17/664221217.db2.gz IBLAVVWIFYHDBA-JOYOIKCWSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC000957855714 664221328 /nfs/dbraw/zinc/22/13/28/664221328.db2.gz REBGBQGREKEZIH-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC000957855714 664221331 /nfs/dbraw/zinc/22/13/31/664221331.db2.gz REBGBQGREKEZIH-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)[nH]n1 ZINC000957881973 664221460 /nfs/dbraw/zinc/22/14/60/664221460.db2.gz IBLAVVWIFYHDBA-CABZTGNLSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)[nH]n1 ZINC000957881973 664221463 /nfs/dbraw/zinc/22/14/63/664221463.db2.gz IBLAVVWIFYHDBA-CABZTGNLSA-N 1 1 309.370 -1.259 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC000957878439 664221566 /nfs/dbraw/zinc/22/15/66/664221566.db2.gz MAOMNJJPKKNCDN-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1C ZINC000957878439 664221567 /nfs/dbraw/zinc/22/15/67/664221567.db2.gz MAOMNJJPKKNCDN-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]n1 ZINC000957884075 664221618 /nfs/dbraw/zinc/22/16/18/664221618.db2.gz ZBKNJNGIBVVKOP-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]n1 ZINC000957884075 664221619 /nfs/dbraw/zinc/22/16/19/664221619.db2.gz ZBKNJNGIBVVKOP-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC000957855317 664221652 /nfs/dbraw/zinc/22/16/52/664221652.db2.gz LMLLNIKYGUPUDC-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855478 664221775 /nfs/dbraw/zinc/22/17/75/664221775.db2.gz OAAUCTCUKBLALF-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC000957855478 664221779 /nfs/dbraw/zinc/22/17/79/664221779.db2.gz OAAUCTCUKBLALF-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1)NC1CC1 ZINC000957898356 664223600 /nfs/dbraw/zinc/22/36/00/664223600.db2.gz OMVGEJXEFPUIBX-ZYHUDNBSSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1)NC1CC1 ZINC000957898356 664223603 /nfs/dbraw/zinc/22/36/03/664223603.db2.gz OMVGEJXEFPUIBX-ZYHUDNBSSA-N 1 1 307.354 -1.289 20 0 DAADMO Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3cn[nH]c3)C2)nc1=O ZINC000957898990 664223841 /nfs/dbraw/zinc/22/38/41/664223841.db2.gz VNWJOUQRYBMLAM-VHSXEESVSA-N 1 1 321.341 -1.946 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911317 664224381 /nfs/dbraw/zinc/22/43/81/664224381.db2.gz PWPGPTVPNICBTM-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911317 664224384 /nfs/dbraw/zinc/22/43/84/664224384.db2.gz PWPGPTVPNICBTM-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000957905611 664224513 /nfs/dbraw/zinc/22/45/13/664224513.db2.gz LCFFMLSCOYFBPV-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911316 664224626 /nfs/dbraw/zinc/22/46/26/664224626.db2.gz PWPGPTVPNICBTM-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911316 664224629 /nfs/dbraw/zinc/22/46/29/664224629.db2.gz PWPGPTVPNICBTM-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000957913541 664225304 /nfs/dbraw/zinc/22/53/04/664225304.db2.gz AOVDZCVTSRYJQC-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000957913541 664225307 /nfs/dbraw/zinc/22/53/07/664225307.db2.gz AOVDZCVTSRYJQC-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1)NC1CC1 ZINC000957927951 664226144 /nfs/dbraw/zinc/22/61/44/664226144.db2.gz UHLZBGWGGBOZOU-BXKDBHETSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1)NC1CC1 ZINC000957927951 664226146 /nfs/dbraw/zinc/22/61/46/664226146.db2.gz UHLZBGWGGBOZOU-BXKDBHETSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925894 664226177 /nfs/dbraw/zinc/22/61/77/664226177.db2.gz HVZPAMXIJOTMBC-PWSUYJOCSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925894 664226179 /nfs/dbraw/zinc/22/61/79/664226179.db2.gz HVZPAMXIJOTMBC-PWSUYJOCSA-N 1 1 308.338 -1.071 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935109 664226185 /nfs/dbraw/zinc/22/61/85/664226185.db2.gz HGEFCBJCNAXWMM-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935109 664226186 /nfs/dbraw/zinc/22/61/86/664226186.db2.gz HGEFCBJCNAXWMM-MNOVXSKESA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncc2F)C1 ZINC000957940328 664226212 /nfs/dbraw/zinc/22/62/12/664226212.db2.gz QQMACEWTAMUFER-JOYOIKCWSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncc2F)C1 ZINC000957940328 664226217 /nfs/dbraw/zinc/22/62/17/664226217.db2.gz QQMACEWTAMUFER-JOYOIKCWSA-N 1 1 310.329 -1.011 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]1 ZINC000957930077 664226279 /nfs/dbraw/zinc/22/62/79/664226279.db2.gz DOKFNYAFLZGHCM-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]1 ZINC000957930077 664226285 /nfs/dbraw/zinc/22/62/85/664226285.db2.gz DOKFNYAFLZGHCM-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1)N1CCC1 ZINC000957925895 664226520 /nfs/dbraw/zinc/22/65/20/664226520.db2.gz HVZPAMXIJOTMBC-ZYHUDNBSSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cocn2)[C@H](O)C1)N1CCC1 ZINC000957925895 664226522 /nfs/dbraw/zinc/22/65/22/664226522.db2.gz HVZPAMXIJOTMBC-ZYHUDNBSSA-N 1 1 308.338 -1.071 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]1 ZINC000957930078 664226647 /nfs/dbraw/zinc/22/66/47/664226647.db2.gz DOKFNYAFLZGHCM-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)[nH]1 ZINC000957930078 664226651 /nfs/dbraw/zinc/22/66/51/664226651.db2.gz DOKFNYAFLZGHCM-DGCLKSJQSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927953 664226864 /nfs/dbraw/zinc/22/68/64/664226864.db2.gz UHLZBGWGGBOZOU-JOYOIKCWSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927953 664226869 /nfs/dbraw/zinc/22/68/69/664226869.db2.gz UHLZBGWGGBOZOU-JOYOIKCWSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927954 664226879 /nfs/dbraw/zinc/22/68/79/664226879.db2.gz UHLZBGWGGBOZOU-SKDRFNHKSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927954 664226884 /nfs/dbraw/zinc/22/68/84/664226884.db2.gz UHLZBGWGGBOZOU-SKDRFNHKSA-N 1 1 308.338 -1.024 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC000957953673 664227906 /nfs/dbraw/zinc/22/79/06/664227906.db2.gz QFEDCMQVQWGQEZ-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC000957953673 664227908 /nfs/dbraw/zinc/22/79/08/664227908.db2.gz QFEDCMQVQWGQEZ-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC000957953312 664227917 /nfs/dbraw/zinc/22/79/17/664227917.db2.gz LHZUOYXWLWONMC-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC000957953312 664227919 /nfs/dbraw/zinc/22/79/19/664227919.db2.gz LHZUOYXWLWONMC-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)c1 ZINC000957984144 664228234 /nfs/dbraw/zinc/22/82/34/664228234.db2.gz ZOLMAIDUKKLVCS-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985148 664228570 /nfs/dbraw/zinc/22/85/70/664228570.db2.gz DXXTWIICVKZBRN-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985148 664228572 /nfs/dbraw/zinc/22/85/72/664228572.db2.gz DXXTWIICVKZBRN-PWSUYJOCSA-N 1 1 307.354 -1.446 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC000957984142 664228609 /nfs/dbraw/zinc/22/86/09/664228609.db2.gz ZOLMAIDUKKLVCS-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978497 664228811 /nfs/dbraw/zinc/22/88/11/664228811.db2.gz DNUGKQJHVVZRIH-BDAKNGLRSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(OC)no2)C1 ZINC000957978497 664228814 /nfs/dbraw/zinc/22/88/14/664228814.db2.gz DNUGKQJHVVZRIH-BDAKNGLRSA-N 1 1 312.326 -1.548 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997404 664229155 /nfs/dbraw/zinc/22/91/55/664229155.db2.gz YFSFCXQFRCPSES-GXSJLCMTSA-N 1 1 324.385 -1.887 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997404 664229158 /nfs/dbraw/zinc/22/91/58/664229158.db2.gz YFSFCXQFRCPSES-GXSJLCMTSA-N 1 1 324.385 -1.887 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC000957985149 664229329 /nfs/dbraw/zinc/22/93/29/664229329.db2.gz DXXTWIICVKZBRN-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)ncn2)[C@H](O)C1 ZINC000957985149 664229334 /nfs/dbraw/zinc/22/93/34/664229334.db2.gz DXXTWIICVKZBRN-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995789 664229359 /nfs/dbraw/zinc/22/93/59/664229359.db2.gz PBHNBFFNVPBJST-OLZOCXBDSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1)N1CCC1 ZINC000957995789 664229365 /nfs/dbraw/zinc/22/93/65/664229365.db2.gz PBHNBFFNVPBJST-OLZOCXBDSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC000957990887 664229519 /nfs/dbraw/zinc/22/95/19/664229519.db2.gz PFVXFLVTHFDKGG-OLZOCXBDSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC000957995788 664229683 /nfs/dbraw/zinc/22/96/83/664229683.db2.gz PBHNBFFNVPBJST-CHWSQXEVSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1)N1CCC1 ZINC000957995788 664229687 /nfs/dbraw/zinc/22/96/87/664229687.db2.gz PBHNBFFNVPBJST-CHWSQXEVSA-N 1 1 319.365 -1.269 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C[C@H]21 ZINC000958001047 664229972 /nfs/dbraw/zinc/22/99/72/664229972.db2.gz CYCAJBLQUFKQSL-CIQGVGRVSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C[C@H]21 ZINC000958001047 664229976 /nfs/dbraw/zinc/22/99/76/664229976.db2.gz CYCAJBLQUFKQSL-CIQGVGRVSA-N 1 1 308.382 -1.223 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1 ZINC000958010308 664230030 /nfs/dbraw/zinc/23/00/30/664230030.db2.gz KLGVOJBFFXZODE-QWHCGFSZSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1 ZINC000958010308 664230032 /nfs/dbraw/zinc/23/00/32/664230032.db2.gz KLGVOJBFFXZODE-QWHCGFSZSA-N 1 1 321.381 -1.104 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958004638 664230126 /nfs/dbraw/zinc/23/01/26/664230126.db2.gz HIBSKLPGWUKAPU-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958004638 664230128 /nfs/dbraw/zinc/23/01/28/664230128.db2.gz HIBSKLPGWUKAPU-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000192 664230191 /nfs/dbraw/zinc/23/01/91/664230191.db2.gz VCPYLDKAYRHCJN-JOYOIKCWSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000192 664230193 /nfs/dbraw/zinc/23/01/93/664230193.db2.gz VCPYLDKAYRHCJN-JOYOIKCWSA-N 1 1 310.329 -1.011 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958019318 664230417 /nfs/dbraw/zinc/23/04/17/664230417.db2.gz AICFHLVYAKECST-WDEREUQCSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958019318 664230420 /nfs/dbraw/zinc/23/04/20/664230420.db2.gz AICFHLVYAKECST-WDEREUQCSA-N 1 1 309.370 -1.329 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000017 664230504 /nfs/dbraw/zinc/23/05/04/664230504.db2.gz RKNKHMJXOMNEGB-YPMHNXCESA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1)NC1CC1 ZINC000958000017 664230508 /nfs/dbraw/zinc/23/05/08/664230508.db2.gz RKNKHMJXOMNEGB-YPMHNXCESA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958011319 664230599 /nfs/dbraw/zinc/23/05/99/664230599.db2.gz WIGLFRHEJAGQTQ-VXGBXAGGSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC000958011319 664230601 /nfs/dbraw/zinc/23/06/01/664230601.db2.gz WIGLFRHEJAGQTQ-VXGBXAGGSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015540 664230695 /nfs/dbraw/zinc/23/06/95/664230695.db2.gz LUBIDWDRPVYVKG-CMPLNLGQSA-N 1 1 312.370 -2.380 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958015540 664230699 /nfs/dbraw/zinc/23/06/99/664230699.db2.gz LUBIDWDRPVYVKG-CMPLNLGQSA-N 1 1 312.370 -2.380 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2O)n1 ZINC000958020552 664230930 /nfs/dbraw/zinc/23/09/30/664230930.db2.gz QOKRNUXZNOBGKB-ZYHUDNBSSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2O)n1 ZINC000958020552 664230932 /nfs/dbraw/zinc/23/09/32/664230932.db2.gz QOKRNUXZNOBGKB-ZYHUDNBSSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958024675 664231291 /nfs/dbraw/zinc/23/12/91/664231291.db2.gz IFCCPRIXHZWJJU-GXSJLCMTSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958024675 664231292 /nfs/dbraw/zinc/23/12/92/664231292.db2.gz IFCCPRIXHZWJJU-GXSJLCMTSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2O)n1 ZINC000958020549 664231420 /nfs/dbraw/zinc/23/14/20/664231420.db2.gz QOKRNUXZNOBGKB-CMPLNLGQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]2O)n1 ZINC000958020549 664231422 /nfs/dbraw/zinc/23/14/22/664231422.db2.gz QOKRNUXZNOBGKB-CMPLNLGQSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](Cc3cncn3C)C[C@@H]2O)n1 ZINC000958020550 664231495 /nfs/dbraw/zinc/23/14/95/664231495.db2.gz QOKRNUXZNOBGKB-JQWIXIFHSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2O)n1 ZINC000958020550 664231499 /nfs/dbraw/zinc/23/14/99/664231499.db2.gz QOKRNUXZNOBGKB-JQWIXIFHSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2O)nn1 ZINC000958036527 664232454 /nfs/dbraw/zinc/23/24/54/664232454.db2.gz QQMBTIHLLDJIRG-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]2O)nn1 ZINC000958036527 664232457 /nfs/dbraw/zinc/23/24/57/664232457.db2.gz QQMBTIHLLDJIRG-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958036589 664233146 /nfs/dbraw/zinc/23/31/46/664233146.db2.gz RGGAGHBGOHQRQL-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958036589 664233150 /nfs/dbraw/zinc/23/31/50/664233150.db2.gz RGGAGHBGOHQRQL-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958040558 664233562 /nfs/dbraw/zinc/23/35/62/664233562.db2.gz DMSURNXZJQTMSG-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958040558 664233565 /nfs/dbraw/zinc/23/35/65/664233565.db2.gz DMSURNXZJQTMSG-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958040594 664233755 /nfs/dbraw/zinc/23/37/55/664233755.db2.gz DTXHXYFXJNCMQA-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958040594 664233756 /nfs/dbraw/zinc/23/37/56/664233756.db2.gz DTXHXYFXJNCMQA-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036893 664234051 /nfs/dbraw/zinc/23/40/51/664234051.db2.gz WBCBLZVKJCAPRP-YPMHNXCESA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036893 664234053 /nfs/dbraw/zinc/23/40/53/664234053.db2.gz WBCBLZVKJCAPRP-YPMHNXCESA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958047164 664234195 /nfs/dbraw/zinc/23/41/95/664234195.db2.gz QHGOSONUYOURKE-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958047164 664234200 /nfs/dbraw/zinc/23/42/00/664234200.db2.gz QHGOSONUYOURKE-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC000958056289 664234618 /nfs/dbraw/zinc/23/46/18/664234618.db2.gz MZAMTPQCDDDPQM-GHMZBOCLSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1)N1CCC1 ZINC000958056289 664234621 /nfs/dbraw/zinc/23/46/21/664234621.db2.gz MZAMTPQCDDDPQM-GHMZBOCLSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncc[nH]1 ZINC000958056321 664234781 /nfs/dbraw/zinc/23/47/81/664234781.db2.gz NGUJGBHUMZSVMU-GHMZBOCLSA-N 1 1 305.342 -1.276 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC000958063803 664235064 /nfs/dbraw/zinc/23/50/64/664235064.db2.gz PFBKWLTZVBNGKN-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C)nn2)[C@H](O)C1 ZINC000958063803 664235067 /nfs/dbraw/zinc/23/50/67/664235067.db2.gz PFBKWLTZVBNGKN-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958052130 664235125 /nfs/dbraw/zinc/23/51/25/664235125.db2.gz DYQCKSSEXINVDZ-ATCWAGBWSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000958052130 664235128 /nfs/dbraw/zinc/23/51/28/664235128.db2.gz DYQCKSSEXINVDZ-ATCWAGBWSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1)NC1CC1 ZINC000958050748 664235202 /nfs/dbraw/zinc/23/52/02/664235202.db2.gz DLQIBXVXITYQPD-MWLCHTKSSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ncc[nH]2)[C@H](O)C1)NC1CC1 ZINC000958050748 664235207 /nfs/dbraw/zinc/23/52/07/664235207.db2.gz DLQIBXVXITYQPD-MWLCHTKSSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056292 664235218 /nfs/dbraw/zinc/23/52/18/664235218.db2.gz MZAMTPQCDDDPQM-WDEREUQCSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056292 664235223 /nfs/dbraw/zinc/23/52/23/664235223.db2.gz MZAMTPQCDDDPQM-WDEREUQCSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958062235 664235303 /nfs/dbraw/zinc/23/53/03/664235303.db2.gz FNGNEWULAIDBJM-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958062235 664235306 /nfs/dbraw/zinc/23/53/06/664235306.db2.gz FNGNEWULAIDBJM-VXGBXAGGSA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958097383 664237327 /nfs/dbraw/zinc/23/73/27/664237327.db2.gz XVRIXEGPUSJAOZ-ONGXEEELSA-N 1 1 306.384 -2.178 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073968 664235635 /nfs/dbraw/zinc/23/56/35/664235635.db2.gz OTAQRNLBXFVHKB-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(OC)ncn2)C1 ZINC000958073968 664235639 /nfs/dbraw/zinc/23/56/39/664235639.db2.gz OTAQRNLBXFVHKB-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958070298 664235743 /nfs/dbraw/zinc/23/57/43/664235743.db2.gz ZQJKZWBOAAPDSG-MWLCHTKSSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958070298 664235744 /nfs/dbraw/zinc/23/57/44/664235744.db2.gz ZQJKZWBOAAPDSG-MWLCHTKSSA-N 1 1 322.369 -1.950 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc2n[nH]nc21 ZINC000958082091 664235990 /nfs/dbraw/zinc/23/59/90/664235990.db2.gz VFYBHJCLRRDKKU-CABZTGNLSA-N 1 1 305.338 -1.027 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958065128 664236124 /nfs/dbraw/zinc/23/61/24/664236124.db2.gz YNHZMAVWSKANLB-JQWIXIFHSA-N 1 1 313.358 -2.061 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958069542 664236132 /nfs/dbraw/zinc/23/61/32/664236132.db2.gz NZEXNKLBYQVMSY-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958069542 664236133 /nfs/dbraw/zinc/23/61/33/664236133.db2.gz NZEXNKLBYQVMSY-CBAPKCEASA-N 1 1 315.761 -1.419 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ncn1 ZINC000958073936 664236285 /nfs/dbraw/zinc/23/62/85/664236285.db2.gz OMTCRUCTZZZTRP-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097413 664236646 /nfs/dbraw/zinc/23/66/46/664236646.db2.gz YDHKJBXLFYCDRF-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097413 664236648 /nfs/dbraw/zinc/23/66/48/664236648.db2.gz YDHKJBXLFYCDRF-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958096392 664236655 /nfs/dbraw/zinc/23/66/55/664236655.db2.gz LNIVESYGKRUQQX-MWLCHTKSSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958096392 664236658 /nfs/dbraw/zinc/23/66/58/664236658.db2.gz LNIVESYGKRUQQX-MWLCHTKSSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccn2nnnc12 ZINC000958091978 664236674 /nfs/dbraw/zinc/23/66/74/664236674.db2.gz KUHLUJDMYSFYDQ-MWLCHTKSSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958095895 664236725 /nfs/dbraw/zinc/23/67/25/664236725.db2.gz DEOFVPDQCCVWAX-JQWIXIFHSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958097382 664236819 /nfs/dbraw/zinc/23/68/19/664236819.db2.gz XVRIXEGPUSJAOZ-MWLCHTKSSA-N 1 1 306.384 -2.178 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958097382 664236821 /nfs/dbraw/zinc/23/68/21/664236821.db2.gz XVRIXEGPUSJAOZ-MWLCHTKSSA-N 1 1 306.384 -2.178 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cccn2nnnc12 ZINC000958091976 664236828 /nfs/dbraw/zinc/23/68/28/664236828.db2.gz KUHLUJDMYSFYDQ-GXSJLCMTSA-N 1 1 306.326 -1.861 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958096391 664236845 /nfs/dbraw/zinc/23/68/45/664236845.db2.gz LNIVESYGKRUQQX-KOLCDFICSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958096391 664236849 /nfs/dbraw/zinc/23/68/49/664236849.db2.gz LNIVESYGKRUQQX-KOLCDFICSA-N 1 1 308.375 -1.201 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958091803 664236992 /nfs/dbraw/zinc/23/69/92/664236992.db2.gz JRGRXDUFSMRSAY-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958091803 664236994 /nfs/dbraw/zinc/23/69/94/664236994.db2.gz JRGRXDUFSMRSAY-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958095894 664237007 /nfs/dbraw/zinc/23/70/07/664237007.db2.gz DEOFVPDQCCVWAX-CMPLNLGQSA-N 1 1 302.396 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085822 664237060 /nfs/dbraw/zinc/23/70/60/664237060.db2.gz KNBHLAVVTRYGCC-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nnc2C)C1 ZINC000958085822 664237064 /nfs/dbraw/zinc/23/70/64/664237064.db2.gz KNBHLAVVTRYGCC-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958096393 664237141 /nfs/dbraw/zinc/23/71/41/664237141.db2.gz LNIVESYGKRUQQX-ONGXEEELSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958096393 664237146 /nfs/dbraw/zinc/23/71/46/664237146.db2.gz LNIVESYGKRUQQX-ONGXEEELSA-N 1 1 308.375 -1.201 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000958097383 664237325 /nfs/dbraw/zinc/23/73/25/664237325.db2.gz XVRIXEGPUSJAOZ-ONGXEEELSA-N 1 1 306.384 -2.178 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958105190 664237637 /nfs/dbraw/zinc/23/76/37/664237637.db2.gz FNTXVQWZGKFRPZ-ZYHUDNBSSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958105190 664237639 /nfs/dbraw/zinc/23/76/39/664237639.db2.gz FNTXVQWZGKFRPZ-ZYHUDNBSSA-N 1 1 309.370 -1.199 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC000958121584 664237653 /nfs/dbraw/zinc/23/76/53/664237653.db2.gz HKSUECJZWBYGGP-ZWNOBZJWSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3c2CCC3)[C@H](O)C1 ZINC000958121584 664237655 /nfs/dbraw/zinc/23/76/55/664237655.db2.gz HKSUECJZWBYGGP-ZWNOBZJWSA-N 1 1 321.381 -1.402 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCCC3)[C@H](O)C1 ZINC000958117989 664237665 /nfs/dbraw/zinc/23/76/65/664237665.db2.gz XSGHSPXKQJFLGK-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCCC3)[C@H](O)C1 ZINC000958117989 664237667 /nfs/dbraw/zinc/23/76/67/664237667.db2.gz XSGHSPXKQJFLGK-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121928 664237895 /nfs/dbraw/zinc/23/78/95/664237895.db2.gz NKWBJMOBSBLPDS-XVKPBYJWSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121928 664237897 /nfs/dbraw/zinc/23/78/97/664237897.db2.gz NKWBJMOBSBLPDS-XVKPBYJWSA-N 1 1 319.325 -2.139 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958101574 664237924 /nfs/dbraw/zinc/23/79/24/664237924.db2.gz UBLMCOXJGQQWDK-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958101574 664237926 /nfs/dbraw/zinc/23/79/26/664237926.db2.gz UBLMCOXJGQQWDK-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnccn1 ZINC000958119633 664237970 /nfs/dbraw/zinc/23/79/70/664237970.db2.gz IQEGNMMQSDACKS-IZWKTGJZSA-N 1 1 315.333 -1.058 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C2CC2)n1 ZINC000958101532 664238078 /nfs/dbraw/zinc/23/80/78/664238078.db2.gz SMVURMKETSVKOT-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C2CC2)n1 ZINC000958101532 664238080 /nfs/dbraw/zinc/23/80/80/664238080.db2.gz SMVURMKETSVKOT-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958121256 664238096 /nfs/dbraw/zinc/23/80/96/664238096.db2.gz FHYZZLBIWNBIMH-CMPLNLGQSA-N 1 1 310.354 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121581 664238103 /nfs/dbraw/zinc/23/81/03/664238103.db2.gz HKSUECJZWBYGGP-GWCFXTLKSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121581 664238104 /nfs/dbraw/zinc/23/81/04/664238104.db2.gz HKSUECJZWBYGGP-GWCFXTLKSA-N 1 1 321.381 -1.402 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958126631 664238285 /nfs/dbraw/zinc/23/82/85/664238285.db2.gz RSSIMWQLGPSEFM-SFYZADRCSA-N 1 1 315.761 -1.121 20 0 DAADMO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958126631 664238287 /nfs/dbraw/zinc/23/82/87/664238287.db2.gz RSSIMWQLGPSEFM-SFYZADRCSA-N 1 1 315.761 -1.121 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958135982 664238300 /nfs/dbraw/zinc/23/83/00/664238300.db2.gz WVLOOLDKYDTCLR-MWLCHTKSSA-N 1 1 323.353 -1.956 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958135982 664238302 /nfs/dbraw/zinc/23/83/02/664238302.db2.gz WVLOOLDKYDTCLR-MWLCHTKSSA-N 1 1 323.353 -1.956 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958131301 664238441 /nfs/dbraw/zinc/23/84/41/664238441.db2.gz RRCPSEPXTLKYPE-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958131301 664238445 /nfs/dbraw/zinc/23/84/45/664238445.db2.gz RRCPSEPXTLKYPE-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125719 664238549 /nfs/dbraw/zinc/23/85/49/664238549.db2.gz AUVVCBFQWDMENA-JOYOIKCWSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958125719 664238554 /nfs/dbraw/zinc/23/85/54/664238554.db2.gz AUVVCBFQWDMENA-JOYOIKCWSA-N 1 1 307.354 -1.663 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135944 664238575 /nfs/dbraw/zinc/23/85/75/664238575.db2.gz WBLPSKKWUGTYTH-CMPLNLGQSA-N 1 1 310.354 -1.056 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1C1CC1 ZINC000958126956 664238770 /nfs/dbraw/zinc/23/87/70/664238770.db2.gz UKNUWMIZIOEHSJ-ZWNOBZJWSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1C1CC1 ZINC000958126956 664238774 /nfs/dbraw/zinc/23/87/74/664238774.db2.gz UKNUWMIZIOEHSJ-ZWNOBZJWSA-N 1 1 321.381 -1.195 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958135686 664238806 /nfs/dbraw/zinc/23/88/06/664238806.db2.gz RERYZJQWVQNSFH-VHSXEESVSA-N 1 1 310.358 -1.886 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958135686 664238807 /nfs/dbraw/zinc/23/88/07/664238807.db2.gz RERYZJQWVQNSFH-VHSXEESVSA-N 1 1 310.358 -1.886 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958131299 664238860 /nfs/dbraw/zinc/23/88/60/664238860.db2.gz RRCPSEPXTLKYPE-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958131299 664238863 /nfs/dbraw/zinc/23/88/63/664238863.db2.gz RRCPSEPXTLKYPE-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134462 664238947 /nfs/dbraw/zinc/23/89/47/664238947.db2.gz DLLRMSMBKJMCOX-SCZZXKLOSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958134462 664238950 /nfs/dbraw/zinc/23/89/50/664238950.db2.gz DLLRMSMBKJMCOX-SCZZXKLOSA-N 1 1 309.326 -2.217 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122280 664238991 /nfs/dbraw/zinc/23/89/91/664238991.db2.gz SVSVPRRTPFQIRU-SKDRFNHKSA-N 1 1 320.353 -1.242 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135945 664239001 /nfs/dbraw/zinc/23/90/01/664239001.db2.gz WBLPSKKWUGTYTH-JQWIXIFHSA-N 1 1 310.354 -1.056 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 ZINC000958130601 664239031 /nfs/dbraw/zinc/23/90/31/664239031.db2.gz GZEILXPRARRLPT-ZWNOBZJWSA-N 1 1 322.365 -1.405 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c([nH]2)CCOC3)[C@H](O)C1 ZINC000958130601 664239037 /nfs/dbraw/zinc/23/90/37/664239037.db2.gz GZEILXPRARRLPT-ZWNOBZJWSA-N 1 1 322.365 -1.405 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC000958148580 664239413 /nfs/dbraw/zinc/23/94/13/664239413.db2.gz JALNXGPYGWORSE-PWSUYJOCSA-N 1 1 310.354 -1.815 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC000958149607 664239577 /nfs/dbraw/zinc/23/95/77/664239577.db2.gz UMYCQLSYGJVVOO-PWSUYJOCSA-N 1 1 320.353 -1.242 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2ccncc12 ZINC000958145291 664239931 /nfs/dbraw/zinc/23/99/31/664239931.db2.gz JEMNLBOQBCGUKA-GXFFZTMASA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1cnc2cncc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC000958151044 664240243 /nfs/dbraw/zinc/24/02/43/664240243.db2.gz DENKPQVVFBLXCL-ZWNOBZJWSA-N 1 1 319.365 -1.017 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958150127 664240256 /nfs/dbraw/zinc/24/02/56/664240256.db2.gz YWNINQAXLZFMEI-PWSUYJOCSA-N 1 1 310.354 -1.551 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150185 664240329 /nfs/dbraw/zinc/24/03/29/664240329.db2.gz ZPJUKROOSDXENC-CMPLNLGQSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150185 664240331 /nfs/dbraw/zinc/24/03/31/664240331.db2.gz ZPJUKROOSDXENC-CMPLNLGQSA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC000958152059 664240336 /nfs/dbraw/zinc/24/03/36/664240336.db2.gz NEJZEARDVNBTST-PWSUYJOCSA-N 1 1 310.354 -1.572 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154328 664240620 /nfs/dbraw/zinc/24/06/20/664240620.db2.gz ZGXXMMXTLISOCM-GXSJLCMTSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154328 664240625 /nfs/dbraw/zinc/24/06/25/664240625.db2.gz ZGXXMMXTLISOCM-GXSJLCMTSA-N 1 1 323.353 -2.079 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958163990 664240820 /nfs/dbraw/zinc/24/08/20/664240820.db2.gz HVKWVMVQDHJIFS-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958163990 664240824 /nfs/dbraw/zinc/24/08/24/664240824.db2.gz HVKWVMVQDHJIFS-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC000958162874 664240923 /nfs/dbraw/zinc/24/09/23/664240923.db2.gz XMVSUMDLPBVIDM-RKDXNWHRSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)[C@H](O)C1 ZINC000958162874 664240930 /nfs/dbraw/zinc/24/09/30/664240930.db2.gz XMVSUMDLPBVIDM-RKDXNWHRSA-N 1 1 311.342 -1.808 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC000958155249 664241110 /nfs/dbraw/zinc/24/11/10/664241110.db2.gz BJXZMMQBWXJALV-MWLCHTKSSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n2CCC3)[C@H](O)C1 ZINC000958155249 664241113 /nfs/dbraw/zinc/24/11/13/664241113.db2.gz BJXZMMQBWXJALV-MWLCHTKSSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160691 664241122 /nfs/dbraw/zinc/24/11/22/664241122.db2.gz DQZODADJNWHBBL-GXFFZTMASA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC000958160691 664241125 /nfs/dbraw/zinc/24/11/25/664241125.db2.gz DQZODADJNWHBBL-GXFFZTMASA-N 1 1 321.381 -1.273 20 0 DAADMO COCc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958156918 664241193 /nfs/dbraw/zinc/24/11/93/664241193.db2.gz KOILXRMVVJOEEF-OLZOCXBDSA-N 1 1 322.365 -1.264 20 0 DAADMO COCc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958156918 664241195 /nfs/dbraw/zinc/24/11/95/664241195.db2.gz KOILXRMVVJOEEF-OLZOCXBDSA-N 1 1 322.365 -1.264 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958163998 664241536 /nfs/dbraw/zinc/24/15/36/664241536.db2.gz HVKWVMVQDHJIFS-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958163998 664241538 /nfs/dbraw/zinc/24/15/38/664241538.db2.gz HVKWVMVQDHJIFS-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162871 664241570 /nfs/dbraw/zinc/24/15/70/664241570.db2.gz XMVSUMDLPBVIDM-BDAKNGLRSA-N 1 1 311.342 -1.808 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958162871 664241571 /nfs/dbraw/zinc/24/15/71/664241571.db2.gz XMVSUMDLPBVIDM-BDAKNGLRSA-N 1 1 311.342 -1.808 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174309 664241730 /nfs/dbraw/zinc/24/17/30/664241730.db2.gz DFAYGULDXBSYJR-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174309 664241733 /nfs/dbraw/zinc/24/17/33/664241733.db2.gz DFAYGULDXBSYJR-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC000958179589 664241820 /nfs/dbraw/zinc/24/18/20/664241820.db2.gz PFFQHFLMYBPKIU-ZYHUDNBSSA-N 1 1 310.354 -1.572 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958179154 664242000 /nfs/dbraw/zinc/24/20/00/664242000.db2.gz IXAAYFQKAGSVOM-CMPLNLGQSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958179154 664242001 /nfs/dbraw/zinc/24/20/01/664242001.db2.gz IXAAYFQKAGSVOM-CMPLNLGQSA-N 1 1 322.365 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174307 664242037 /nfs/dbraw/zinc/24/20/37/664242037.db2.gz DFAYGULDXBSYJR-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174307 664242039 /nfs/dbraw/zinc/24/20/39/664242039.db2.gz DFAYGULDXBSYJR-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178997 664242228 /nfs/dbraw/zinc/24/22/28/664242228.db2.gz FQLPPOMVRWMOCI-XVKPBYJWSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178997 664242231 /nfs/dbraw/zinc/24/22/31/664242231.db2.gz FQLPPOMVRWMOCI-XVKPBYJWSA-N 1 1 314.292 -1.132 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958182162 664242742 /nfs/dbraw/zinc/24/27/42/664242742.db2.gz WQNGHTLITLGWSF-IMRBUKKESA-N 1 1 316.369 -1.304 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000958182380 664242771 /nfs/dbraw/zinc/24/27/71/664242771.db2.gz ZQUSUPCBDULESR-IAZYJMLFSA-N 1 1 320.357 -2.255 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000958182539 664242793 /nfs/dbraw/zinc/24/27/93/664242793.db2.gz CBHLYANPECCPTR-UWVGGRQHSA-N 1 1 317.367 -1.031 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958184100 664242810 /nfs/dbraw/zinc/24/28/10/664242810.db2.gz VDDPKTNSUMPHRH-MNOVXSKESA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1=O ZINC000958184100 664242814 /nfs/dbraw/zinc/24/28/14/664242814.db2.gz VDDPKTNSUMPHRH-MNOVXSKESA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cn1 ZINC000958181453 664242906 /nfs/dbraw/zinc/24/29/06/664242906.db2.gz LKWHUPZSJCFONX-IMRBUKKESA-N 1 1 316.369 -1.304 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)ccc21 ZINC000958183803 664242943 /nfs/dbraw/zinc/24/29/43/664242943.db2.gz QPSBWVHXVIUAGM-FZMZJTMJSA-N 1 1 319.365 -1.017 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958185129 664243365 /nfs/dbraw/zinc/24/33/65/664243365.db2.gz NJPSDPQRZGQVBP-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195654 664243761 /nfs/dbraw/zinc/24/37/61/664243761.db2.gz INYCMJHSUWIHQT-KOLCDFICSA-N 1 1 313.333 -1.640 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CCF)c2)C1 ZINC000958195654 664243765 /nfs/dbraw/zinc/24/37/65/664243765.db2.gz INYCMJHSUWIHQT-KOLCDFICSA-N 1 1 313.333 -1.640 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000958200721 664243806 /nfs/dbraw/zinc/24/38/06/664243806.db2.gz MUSVGZHDEIHJMP-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn(CCF)c1 ZINC000958200278 664243814 /nfs/dbraw/zinc/24/38/14/664243814.db2.gz PFGTZOIPBPSAMH-JQWIXIFHSA-N 1 1 300.334 -1.133 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000958193389 664243842 /nfs/dbraw/zinc/24/38/42/664243842.db2.gz UDPGOZKXTXMIPT-YABSGUDNSA-N 1 1 319.369 -1.658 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC000958200690 664243998 /nfs/dbraw/zinc/24/39/98/664243998.db2.gz SOANUFQCIYKDJA-CMPLNLGQSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC000958200690 664244001 /nfs/dbraw/zinc/24/40/01/664244001.db2.gz SOANUFQCIYKDJA-CMPLNLGQSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC000958200690 664244003 /nfs/dbraw/zinc/24/40/03/664244003.db2.gz SOANUFQCIYKDJA-CMPLNLGQSA-N 1 1 305.342 -1.276 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200309 664244096 /nfs/dbraw/zinc/24/40/96/664244096.db2.gz PVWMBWZFAQZLAD-NEPJUHHUSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200309 664244098 /nfs/dbraw/zinc/24/40/98/664244098.db2.gz PVWMBWZFAQZLAD-NEPJUHHUSA-N 1 1 322.365 -1.141 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958198936 664244290 /nfs/dbraw/zinc/24/42/90/664244290.db2.gz CGCDETMIXURAMX-GHMZBOCLSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccn1 ZINC000958198936 664244293 /nfs/dbraw/zinc/24/42/93/664244293.db2.gz CGCDETMIXURAMX-GHMZBOCLSA-N 1 1 308.338 -1.402 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958203763 664244998 /nfs/dbraw/zinc/24/49/98/664244998.db2.gz UTFBDCWDXZUKMX-JOYOIKCWSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958203763 664245001 /nfs/dbraw/zinc/24/50/01/664245001.db2.gz UTFBDCWDXZUKMX-JOYOIKCWSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3cn[nH]n3)C2)cn1 ZINC000958205564 664245009 /nfs/dbraw/zinc/24/50/09/664245009.db2.gz ATDUXLDWMBAPET-AAEUAGOBSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205564 664245010 /nfs/dbraw/zinc/24/50/10/664245010.db2.gz ATDUXLDWMBAPET-AAEUAGOBSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3cnn[nH]3)C2)cn1 ZINC000958205564 664245011 /nfs/dbraw/zinc/24/50/11/664245011.db2.gz ATDUXLDWMBAPET-AAEUAGOBSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC000958206865 664245028 /nfs/dbraw/zinc/24/50/28/664245028.db2.gz OISIPYBTTDEPBV-JQWIXIFHSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206865 664245030 /nfs/dbraw/zinc/24/50/30/664245030.db2.gz OISIPYBTTDEPBV-JQWIXIFHSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206865 664245032 /nfs/dbraw/zinc/24/50/32/664245032.db2.gz OISIPYBTTDEPBV-JQWIXIFHSA-N 1 1 322.369 -1.550 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958203467 664245083 /nfs/dbraw/zinc/24/50/83/664245083.db2.gz QPYXFVGYUMDOQI-QWHCGFSZSA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206516 664245601 /nfs/dbraw/zinc/24/56/01/664245601.db2.gz KZCIRZRJINYMEJ-GXFFZTMASA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206516 664245605 /nfs/dbraw/zinc/24/56/05/664245605.db2.gz KZCIRZRJINYMEJ-GXFFZTMASA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206516 664245610 /nfs/dbraw/zinc/24/56/10/664245610.db2.gz KZCIRZRJINYMEJ-GXFFZTMASA-N 1 1 319.369 -1.197 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958210828 664246338 /nfs/dbraw/zinc/24/63/38/664246338.db2.gz SMZPXUHANOGETC-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958210828 664246344 /nfs/dbraw/zinc/24/63/44/664246344.db2.gz SMZPXUHANOGETC-SKDRFNHKSA-N 1 1 309.370 -1.510 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn2cccnc2n1 ZINC000958215179 664248004 /nfs/dbraw/zinc/24/80/04/664248004.db2.gz UEBKPILBEXBELX-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214296 664248111 /nfs/dbraw/zinc/24/81/11/664248111.db2.gz FYJVLGXPWQEVDP-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214296 664248119 /nfs/dbraw/zinc/24/81/19/664248119.db2.gz FYJVLGXPWQEVDP-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2c1CC(=O)N2 ZINC000958214924 664248303 /nfs/dbraw/zinc/24/83/03/664248303.db2.gz OPZYVSAGTJQPJS-JOYOIKCWSA-N 1 1 320.349 -1.409 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 ZINC000958219649 664248344 /nfs/dbraw/zinc/24/83/44/664248344.db2.gz LPHBNRBWKHZJSR-DGCLKSJQSA-N 1 1 324.381 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215876 664248453 /nfs/dbraw/zinc/24/84/53/664248453.db2.gz YFPSVWWAKXDVAR-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn3nccc23)C1 ZINC000958215876 664248456 /nfs/dbraw/zinc/24/84/56/664248456.db2.gz YFPSVWWAKXDVAR-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3cccnc3n2)[C@H](O)C1 ZINC000958214298 664248477 /nfs/dbraw/zinc/24/84/77/664248477.db2.gz FYJVLGXPWQEVDP-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3cccnc3n2)[C@H](O)C1 ZINC000958214298 664248480 /nfs/dbraw/zinc/24/84/80/664248480.db2.gz FYJVLGXPWQEVDP-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958228687 664248702 /nfs/dbraw/zinc/24/87/02/664248702.db2.gz RVGJFLKGXMHYBC-YPMHNXCESA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958228171 664248778 /nfs/dbraw/zinc/24/87/78/664248778.db2.gz MFBWBYXPOGHAFB-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958228171 664248781 /nfs/dbraw/zinc/24/87/81/664248781.db2.gz MFBWBYXPOGHAFB-YPMHNXCESA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](Cc2cnnn2C)C[C@@H]1O ZINC000958227472 664248858 /nfs/dbraw/zinc/24/88/58/664248858.db2.gz FOLXRALLJBCZKY-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](Cc2cnnn2C)C[C@@H]1O ZINC000958227472 664248861 /nfs/dbraw/zinc/24/88/61/664248861.db2.gz FOLXRALLJBCZKY-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc2ncnn21 ZINC000958229060 664249473 /nfs/dbraw/zinc/24/94/73/664249473.db2.gz XLWSMDRTFBTMMP-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958243588 664249838 /nfs/dbraw/zinc/24/98/38/664249838.db2.gz KSWHPIOBDNJMBM-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1C ZINC000958243588 664249840 /nfs/dbraw/zinc/24/98/40/664249840.db2.gz KSWHPIOBDNJMBM-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO COCc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)o1 ZINC000958244482 664250177 /nfs/dbraw/zinc/25/01/77/664250177.db2.gz RYXZEFZKVODNAG-KOLCDFICSA-N 1 1 311.338 -1.066 20 0 DAADMO COCc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)o1 ZINC000958244482 664250179 /nfs/dbraw/zinc/25/01/79/664250179.db2.gz RYXZEFZKVODNAG-KOLCDFICSA-N 1 1 311.338 -1.066 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC000958242793 664250245 /nfs/dbraw/zinc/25/02/45/664250245.db2.gz FJSPTPLWTBXELF-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(OC)nc2)[C@H](O)C1 ZINC000958234998 664250395 /nfs/dbraw/zinc/25/03/95/664250395.db2.gz DNXFSWWRWKNUOW-VXGBXAGGSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(OC)nc2)[C@H](O)C1 ZINC000958234998 664250402 /nfs/dbraw/zinc/25/04/02/664250402.db2.gz DNXFSWWRWKNUOW-VXGBXAGGSA-N 1 1 322.365 -1.141 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)nn1C ZINC000958238534 664250432 /nfs/dbraw/zinc/25/04/32/664250432.db2.gz ACWCSBCMWTVIFZ-CMPLNLGQSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1C ZINC000958243034 664250442 /nfs/dbraw/zinc/25/04/42/664250442.db2.gz HHBSIQHRQZDVML-RYUDHWBXSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1C ZINC000958243034 664250446 /nfs/dbraw/zinc/25/04/46/664250446.db2.gz HHBSIQHRQZDVML-RYUDHWBXSA-N 1 1 321.381 -1.090 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nc1 ZINC000958242794 664250469 /nfs/dbraw/zinc/25/04/69/664250469.db2.gz FJSPTPLWTBXELF-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 ZINC000958240205 664250502 /nfs/dbraw/zinc/25/05/02/664250502.db2.gz YNCAKRWUMZYBGM-RKDXNWHRSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)o2)[C@H](O)C1 ZINC000958240205 664250505 /nfs/dbraw/zinc/25/05/05/664250505.db2.gz YNCAKRWUMZYBGM-RKDXNWHRSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248255 664250529 /nfs/dbraw/zinc/25/05/29/664250529.db2.gz HFYDHDRHRQPUSZ-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC000958248255 664250532 /nfs/dbraw/zinc/25/05/32/664250532.db2.gz HFYDHDRHRQPUSZ-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000958239496 664250550 /nfs/dbraw/zinc/25/05/50/664250550.db2.gz PTUPOEZZHZMROJ-WCQYABFASA-N 1 1 324.381 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244713 664250566 /nfs/dbraw/zinc/25/05/66/664250566.db2.gz WMUCUMTXCQSBSO-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc(OC)cn2)C1 ZINC000958244713 664250569 /nfs/dbraw/zinc/25/05/69/664250569.db2.gz WMUCUMTXCQSBSO-GXSJLCMTSA-N 1 1 323.353 -1.746 20 0 DAADMO COCc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)o1 ZINC000958244483 664250576 /nfs/dbraw/zinc/25/05/76/664250576.db2.gz RYXZEFZKVODNAG-MWLCHTKSSA-N 1 1 311.338 -1.066 20 0 DAADMO COCc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)o1 ZINC000958244483 664250579 /nfs/dbraw/zinc/25/05/79/664250579.db2.gz RYXZEFZKVODNAG-MWLCHTKSSA-N 1 1 311.338 -1.066 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958244651 664250595 /nfs/dbraw/zinc/25/05/95/664250595.db2.gz VTCQLKPRQREASN-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958244651 664250597 /nfs/dbraw/zinc/25/05/97/664250597.db2.gz VTCQLKPRQREASN-WCBMZHEXSA-N 1 1 309.326 -2.007 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958258304 664250992 /nfs/dbraw/zinc/25/09/92/664250992.db2.gz PCCIBVZSIBWCGI-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958258304 664250994 /nfs/dbraw/zinc/25/09/94/664250994.db2.gz PCCIBVZSIBWCGI-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2nnnn2c1 ZINC000958254601 664251189 /nfs/dbraw/zinc/25/11/89/664251189.db2.gz QNDLKBAOHLWCFQ-NWDGAFQWSA-N 1 1 320.353 -1.471 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 ZINC000958253335 664251248 /nfs/dbraw/zinc/25/12/48/664251248.db2.gz HRRSVTJANGPYCK-MWLCHTKSSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCCO3)[C@H](O)C1 ZINC000958253335 664251250 /nfs/dbraw/zinc/25/12/50/664251250.db2.gz HRRSVTJANGPYCK-MWLCHTKSSA-N 1 1 323.353 -1.827 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ncc1=O ZINC000958273187 664251579 /nfs/dbraw/zinc/25/15/79/664251579.db2.gz OULDEVMWWHEQIB-ZYHUDNBSSA-N 1 1 310.354 -1.815 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc(=O)[nH]1 ZINC000958267335 664251680 /nfs/dbraw/zinc/25/16/80/664251680.db2.gz MLOVZZGXBOQZSD-ZYHUDNBSSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc(=O)[nH]1 ZINC000958267335 664251686 /nfs/dbraw/zinc/25/16/86/664251686.db2.gz MLOVZZGXBOQZSD-ZYHUDNBSSA-N 1 1 322.365 -1.143 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273770 664251893 /nfs/dbraw/zinc/25/18/93/664251893.db2.gz RQVWSHFBINTODM-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958273770 664251894 /nfs/dbraw/zinc/25/18/94/664251894.db2.gz RQVWSHFBINTODM-GXSJLCMTSA-N 1 1 323.353 -2.451 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274095 664252029 /nfs/dbraw/zinc/25/20/29/664252029.db2.gz UUBQCPVLUQBIQA-JQWIXIFHSA-N 1 1 310.354 -1.551 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277854 664252046 /nfs/dbraw/zinc/25/20/46/664252046.db2.gz QZZPPJNGWZULCW-ZJUUUORDSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277854 664252047 /nfs/dbraw/zinc/25/20/47/664252047.db2.gz QZZPPJNGWZULCW-ZJUUUORDSA-N 1 1 324.337 -1.853 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290462 664252562 /nfs/dbraw/zinc/25/25/62/664252562.db2.gz BGBMWLLXEHZKFT-JOYOIKCWSA-N 1 1 323.349 -1.140 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occ3c2CCOC3)C1 ZINC000958290462 664252566 /nfs/dbraw/zinc/25/25/66/664252566.db2.gz BGBMWLLXEHZKFT-JOYOIKCWSA-N 1 1 323.349 -1.140 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2csnn2)[C@H](O)C1 ZINC000958289413 664252625 /nfs/dbraw/zinc/25/26/25/664252625.db2.gz VHSXAKYXOVAXJZ-PSASIEDQSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2csnn2)[C@H](O)C1 ZINC000958289413 664252627 /nfs/dbraw/zinc/25/26/27/664252627.db2.gz VHSXAKYXOVAXJZ-PSASIEDQSA-N 1 1 313.383 -1.351 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2occ3c2CCOC3)[C@H](O)C1 ZINC000958290460 664252731 /nfs/dbraw/zinc/25/27/31/664252731.db2.gz BGBMWLLXEHZKFT-BXKDBHETSA-N 1 1 323.349 -1.140 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2occ3c2CCOC3)[C@H](O)C1 ZINC000958290460 664252734 /nfs/dbraw/zinc/25/27/34/664252734.db2.gz BGBMWLLXEHZKFT-BXKDBHETSA-N 1 1 323.349 -1.140 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958296151 664253273 /nfs/dbraw/zinc/25/32/73/664253273.db2.gz CLOGMUAUDPSZNZ-QWRGUYRKSA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958296151 664253276 /nfs/dbraw/zinc/25/32/76/664253276.db2.gz CLOGMUAUDPSZNZ-QWRGUYRKSA-N 1 1 309.370 -1.455 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296207 664253417 /nfs/dbraw/zinc/25/34/17/664253417.db2.gz DATKNZNPXFDAQL-RYUDHWBXSA-N 1 1 323.397 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296207 664253419 /nfs/dbraw/zinc/25/34/19/664253419.db2.gz DATKNZNPXFDAQL-RYUDHWBXSA-N 1 1 323.397 -1.195 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958296149 664253525 /nfs/dbraw/zinc/25/35/25/664253525.db2.gz CLOGMUAUDPSZNZ-GHMZBOCLSA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958296149 664253526 /nfs/dbraw/zinc/25/35/26/664253526.db2.gz CLOGMUAUDPSZNZ-GHMZBOCLSA-N 1 1 309.370 -1.455 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnco1 ZINC000958300764 664253577 /nfs/dbraw/zinc/25/35/77/664253577.db2.gz WDWACWJSZIQDLA-WDEREUQCSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1)N1CCOCC1 ZINC000958298527 664253627 /nfs/dbraw/zinc/25/36/27/664253627.db2.gz SQWNUGSEXZGROR-YABSGUDNSA-N 1 1 319.365 -1.072 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1)N1CCOCC1 ZINC000958298527 664253629 /nfs/dbraw/zinc/25/36/29/664253629.db2.gz SQWNUGSEXZGROR-YABSGUDNSA-N 1 1 319.365 -1.072 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC000958298041 664253681 /nfs/dbraw/zinc/25/36/81/664253681.db2.gz XINSFNPDZQDYHQ-NXEZZACHSA-N 1 1 320.357 -1.264 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958308782 664253966 /nfs/dbraw/zinc/25/39/66/664253966.db2.gz ABAGTBYEWUUXHZ-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958308782 664253969 /nfs/dbraw/zinc/25/39/69/664253969.db2.gz ABAGTBYEWUUXHZ-SCZZXKLOSA-N 1 1 311.342 -2.064 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2cccnc12 ZINC000958309177 664254011 /nfs/dbraw/zinc/25/40/11/664254011.db2.gz IAUWJDIJQDCRAA-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO CCCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958304385 664254105 /nfs/dbraw/zinc/25/41/05/664254105.db2.gz NMTBHFHTEHPIAW-JOYOIKCWSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958304385 664254109 /nfs/dbraw/zinc/25/41/09/664254109.db2.gz NMTBHFHTEHPIAW-JOYOIKCWSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958304383 664254345 /nfs/dbraw/zinc/25/43/45/664254345.db2.gz NMTBHFHTEHPIAW-BXKDBHETSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958304383 664254347 /nfs/dbraw/zinc/25/43/47/664254347.db2.gz NMTBHFHTEHPIAW-BXKDBHETSA-N 1 1 309.370 -1.130 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958312683 664254721 /nfs/dbraw/zinc/25/47/21/664254721.db2.gz DLCNGAFOWLVAKC-UWVGGRQHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C ZINC000958312683 664254724 /nfs/dbraw/zinc/25/47/24/664254724.db2.gz DLCNGAFOWLVAKC-UWVGGRQHSA-N 1 1 323.353 -1.693 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cn[nH]c1 ZINC000958311071 664254983 /nfs/dbraw/zinc/25/49/83/664254983.db2.gz HXCJYILUSFKZEJ-KLBPJQLPSA-N 1 1 303.322 -1.125 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958315650 664255145 /nfs/dbraw/zinc/25/51/45/664255145.db2.gz AOHJPLSRSHODCO-MWLCHTKSSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)n1 ZINC000958315650 664255146 /nfs/dbraw/zinc/25/51/46/664255146.db2.gz AOHJPLSRSHODCO-MWLCHTKSSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316327 664256010 /nfs/dbraw/zinc/25/60/10/664256010.db2.gz GWYNQEZSGURHSQ-WDEREUQCSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316327 664256015 /nfs/dbraw/zinc/25/60/15/664256015.db2.gz GWYNQEZSGURHSQ-WDEREUQCSA-N 1 1 320.357 -1.834 20 0 DAADMO Cc1nocc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316683 664256028 /nfs/dbraw/zinc/25/60/28/664256028.db2.gz MODYSBMTJMDYRY-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nocc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316683 664256033 /nfs/dbraw/zinc/25/60/33/664256033.db2.gz MODYSBMTJMDYRY-ONGXEEELSA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000958317007 664256393 /nfs/dbraw/zinc/25/63/93/664256393.db2.gz QPTAQXDMJKSVNE-ZYHUDNBSSA-N 1 1 317.353 -1.172 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958316848 664256425 /nfs/dbraw/zinc/25/64/25/664256425.db2.gz OUPZHSVZNKOUMJ-NXEZZACHSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958316848 664256428 /nfs/dbraw/zinc/25/64/28/664256428.db2.gz OUPZHSVZNKOUMJ-NXEZZACHSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC000958317179 664256445 /nfs/dbraw/zinc/25/64/45/664256445.db2.gz UCQWAGCMEXRLHO-ZYHUDNBSSA-N 1 1 322.365 -1.082 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316326 664256544 /nfs/dbraw/zinc/25/65/44/664256544.db2.gz GWYNQEZSGURHSQ-QWRGUYRKSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)cn1 ZINC000958316326 664256545 /nfs/dbraw/zinc/25/65/45/664256545.db2.gz GWYNQEZSGURHSQ-QWRGUYRKSA-N 1 1 320.357 -1.834 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319352 664256801 /nfs/dbraw/zinc/25/68/01/664256801.db2.gz KWAOUGSXECDHAM-OHJULZJPSA-N 1 1 323.393 -1.434 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC000958319352 664256803 /nfs/dbraw/zinc/25/68/03/664256803.db2.gz KWAOUGSXECDHAM-OHJULZJPSA-N 1 1 323.393 -1.434 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320973 664256831 /nfs/dbraw/zinc/25/68/31/664256831.db2.gz SBBGTPORVNPFLZ-ZJUUUORDSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320973 664256833 /nfs/dbraw/zinc/25/68/33/664256833.db2.gz SBBGTPORVNPFLZ-ZJUUUORDSA-N 1 1 319.325 -2.368 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319309 664256864 /nfs/dbraw/zinc/25/68/64/664256864.db2.gz KGOPMKCPDVGQQB-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319309 664256866 /nfs/dbraw/zinc/25/68/66/664256866.db2.gz KGOPMKCPDVGQQB-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1cnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958321103 664256980 /nfs/dbraw/zinc/25/69/80/664256980.db2.gz SHZFSTJCEXSBSZ-DGCLKSJQSA-N 1 1 319.365 -1.017 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321131 664257011 /nfs/dbraw/zinc/25/70/11/664257011.db2.gz SOOURBMESHZERD-DKBOKBLXSA-N 1 1 323.393 -1.480 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)N1CCC1 ZINC000958321131 664257015 /nfs/dbraw/zinc/25/70/15/664257015.db2.gz SOOURBMESHZERD-DKBOKBLXSA-N 1 1 323.393 -1.480 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319308 664257223 /nfs/dbraw/zinc/25/72/23/664257223.db2.gz KGOPMKCPDVGQQB-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958319308 664257228 /nfs/dbraw/zinc/25/72/28/664257228.db2.gz KGOPMKCPDVGQQB-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320971 664257548 /nfs/dbraw/zinc/25/75/48/664257548.db2.gz SBBGTPORVNPFLZ-UWVGGRQHSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958320971 664257554 /nfs/dbraw/zinc/25/75/54/664257554.db2.gz SBBGTPORVNPFLZ-UWVGGRQHSA-N 1 1 319.325 -2.368 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3ccns3)C[C@@H]2O)n1 ZINC000958328589 664258053 /nfs/dbraw/zinc/25/80/53/664258053.db2.gz JPUAXBQXNACPQL-WPRPVWTQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccns3)C[C@@H]2O)n1 ZINC000958328589 664258057 /nfs/dbraw/zinc/25/80/57/664258057.db2.gz JPUAXBQXNACPQL-WPRPVWTQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cc1oncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328363 664258295 /nfs/dbraw/zinc/25/82/95/664258295.db2.gz FDKWQZOBNNPZKW-MNOVXSKESA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1oncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328363 664258300 /nfs/dbraw/zinc/25/83/00/664258300.db2.gz FDKWQZOBNNPZKW-MNOVXSKESA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC000958328245 664258344 /nfs/dbraw/zinc/25/83/44/664258344.db2.gz CGHJVCXSLNEJLJ-ZJUUUORDSA-N 1 1 321.345 -2.476 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335207 664258761 /nfs/dbraw/zinc/25/87/61/664258761.db2.gz SSJNSCINJVRKHM-IONNQARKSA-N 1 1 314.367 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335207 664258763 /nfs/dbraw/zinc/25/87/63/664258763.db2.gz SSJNSCINJVRKHM-IONNQARKSA-N 1 1 314.367 -1.383 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335206 664259169 /nfs/dbraw/zinc/25/91/69/664259169.db2.gz SSJNSCINJVRKHM-CBAPKCEASA-N 1 1 314.367 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000958335206 664259170 /nfs/dbraw/zinc/25/91/70/664259170.db2.gz SSJNSCINJVRKHM-CBAPKCEASA-N 1 1 314.367 -1.383 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC000958334731 664259201 /nfs/dbraw/zinc/25/92/01/664259201.db2.gz PORHALZEGODILM-HTRCEHHLSA-N 1 1 300.340 -1.644 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](O)C1 ZINC000958334731 664259204 /nfs/dbraw/zinc/25/92/04/664259204.db2.gz PORHALZEGODILM-HTRCEHHLSA-N 1 1 300.340 -1.644 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958345907 664260140 /nfs/dbraw/zinc/26/01/40/664260140.db2.gz UNTKELVGZMRLCT-QWRGUYRKSA-N 1 1 310.354 -1.104 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC000958349149 664260287 /nfs/dbraw/zinc/26/02/87/664260287.db2.gz FNNVNVZCFLEUDC-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1C ZINC000958349149 664260288 /nfs/dbraw/zinc/26/02/88/664260288.db2.gz FNNVNVZCFLEUDC-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958349359 664260333 /nfs/dbraw/zinc/26/03/33/664260333.db2.gz IVDLEZQAPPIXIF-MWLCHTKSSA-N 1 1 311.338 -1.678 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3n2CCCC3)[C@H](O)C1 ZINC000958346100 664260381 /nfs/dbraw/zinc/26/03/81/664260381.db2.gz VYAQIFVXFDVPSU-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3n2CCCC3)[C@H](O)C1 ZINC000958346100 664260385 /nfs/dbraw/zinc/26/03/85/664260385.db2.gz VYAQIFVXFDVPSU-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958349321 664260490 /nfs/dbraw/zinc/26/04/90/664260490.db2.gz ICNOJZRSFLDYHR-PSASIEDQSA-N 1 1 309.326 -2.462 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958349321 664260493 /nfs/dbraw/zinc/26/04/93/664260493.db2.gz ICNOJZRSFLDYHR-PSASIEDQSA-N 1 1 309.326 -2.462 20 0 DAADMO CC(=O)N(C)[C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@@H]1O ZINC000958358613 664260890 /nfs/dbraw/zinc/26/08/90/664260890.db2.gz IIYJZJRABYEZMF-IHRRRGAJSA-N 1 1 323.397 -1.137 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3nonc3c2)[C@H](O)C1 ZINC000958359031 664261190 /nfs/dbraw/zinc/26/11/90/664261190.db2.gz AIKBSRRDYMGRIH-BXKDBHETSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3nonc3c2)[C@H](O)C1 ZINC000958359031 664261191 /nfs/dbraw/zinc/26/11/91/664261191.db2.gz AIKBSRRDYMGRIH-BXKDBHETSA-N 1 1 319.321 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958356683 664261262 /nfs/dbraw/zinc/26/12/62/664261262.db2.gz QYIHWVJGLKSANT-MWLCHTKSSA-N 1 1 323.353 -2.119 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958356683 664261264 /nfs/dbraw/zinc/26/12/64/664261264.db2.gz QYIHWVJGLKSANT-MWLCHTKSSA-N 1 1 323.353 -2.119 20 0 DAADMO COc1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958373512 664262351 /nfs/dbraw/zinc/26/23/51/664262351.db2.gz GVCMSJLXXGTNTO-GXSJLCMTSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958373512 664262352 /nfs/dbraw/zinc/26/23/52/664262352.db2.gz GVCMSJLXXGTNTO-GXSJLCMTSA-N 1 1 308.338 -1.402 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC000958384136 664262848 /nfs/dbraw/zinc/26/28/48/664262848.db2.gz SJZVKBXPNHDVQG-CZXHOFHRSA-N 1 1 303.366 -1.103 20 0 DAADMO NC(=O)c1coc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958390229 664263197 /nfs/dbraw/zinc/26/31/97/664263197.db2.gz OVHRWYQJGPCENU-QWRGUYRKSA-N 1 1 311.338 -1.217 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC000958384139 664263260 /nfs/dbraw/zinc/26/32/60/664263260.db2.gz SJZVKBXPNHDVQG-KZVDOYCCSA-N 1 1 303.366 -1.103 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395023 664263570 /nfs/dbraw/zinc/26/35/70/664263570.db2.gz NCKNPPQRKHLOCD-JQWIXIFHSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395023 664263572 /nfs/dbraw/zinc/26/35/72/664263572.db2.gz NCKNPPQRKHLOCD-JQWIXIFHSA-N 1 1 322.365 -1.846 20 0 DAADMO Cn1cnc2c1nccc2C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958399238 664263576 /nfs/dbraw/zinc/26/35/76/664263576.db2.gz KRJDAQHFICNQMN-CMPLNLGQSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395068 664263693 /nfs/dbraw/zinc/26/36/93/664263693.db2.gz NSHOCCDQRMTLHN-MUWHJKNJSA-N 1 1 317.296 -1.145 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000958395068 664263697 /nfs/dbraw/zinc/26/36/97/664263697.db2.gz NSHOCCDQRMTLHN-MUWHJKNJSA-N 1 1 317.296 -1.145 20 0 DAADMO CCc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nnn1CC ZINC000958405292 664263902 /nfs/dbraw/zinc/26/39/02/664263902.db2.gz SNXFPWQWSHIKMG-ZYHUDNBSSA-N 1 1 311.386 -1.125 20 0 DAADMO Cn1cnc2c1nccc2C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958399240 664264049 /nfs/dbraw/zinc/26/40/49/664264049.db2.gz KRJDAQHFICNQMN-PWSUYJOCSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)[nH]1 ZINC000958408081 664264455 /nfs/dbraw/zinc/26/44/55/664264455.db2.gz DJNCKAOMGWDAFV-JOYOIKCWSA-N 1 1 310.354 -1.482 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413846 664264497 /nfs/dbraw/zinc/26/44/97/664264497.db2.gz VENPTTCMKIQZRG-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC000958413846 664264503 /nfs/dbraw/zinc/26/45/03/664264503.db2.gz VENPTTCMKIQZRG-WDEREUQCSA-N 1 1 309.370 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409041 664264639 /nfs/dbraw/zinc/26/46/39/664264639.db2.gz NSTBQQSESPDELL-XCBNKYQSSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409041 664264640 /nfs/dbraw/zinc/26/46/40/664264640.db2.gz NSTBQQSESPDELL-XCBNKYQSSA-N 1 1 309.326 -2.379 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC000958409724 664264651 /nfs/dbraw/zinc/26/46/51/664264651.db2.gz VUFUZYUGVXXYQK-GWCFXTLKSA-N 1 1 322.365 -1.496 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2[nH]c(C)nc2C)[C@H](O)C1 ZINC000958413843 664264680 /nfs/dbraw/zinc/26/46/80/664264680.db2.gz VENPTTCMKIQZRG-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]c(C)nc2C)[C@H](O)C1 ZINC000958413843 664264684 /nfs/dbraw/zinc/26/46/84/664264684.db2.gz VENPTTCMKIQZRG-GHMZBOCLSA-N 1 1 309.370 -1.205 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958413683 664264708 /nfs/dbraw/zinc/26/47/08/664264708.db2.gz SIUUDBZUSSTSHQ-GXSJLCMTSA-N 1 1 311.338 -1.189 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958410638 664264939 /nfs/dbraw/zinc/26/49/39/664264939.db2.gz OUUMQAAYXCXWBO-XZUYRWCXSA-N 1 1 304.354 -1.397 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958430703 664265464 /nfs/dbraw/zinc/26/54/64/664265464.db2.gz XAVDRQUFJQNKOF-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958430703 664265466 /nfs/dbraw/zinc/26/54/66/664265466.db2.gz XAVDRQUFJQNKOF-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958429625 664265744 /nfs/dbraw/zinc/26/57/44/664265744.db2.gz LHCOAONBJLELGQ-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958429625 664265748 /nfs/dbraw/zinc/26/57/48/664265748.db2.gz LHCOAONBJLELGQ-JQWIXIFHSA-N 1 1 309.370 -1.281 20 0 DAADMO CCC[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC000958448338 664265965 /nfs/dbraw/zinc/26/59/65/664265965.db2.gz NVDJTLQRHDFAGX-ZYHUDNBSSA-N 1 1 324.381 -1.484 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC000958437016 664266125 /nfs/dbraw/zinc/26/61/25/664266125.db2.gz XVOLSUXOOOYEKE-QCLAVDOMSA-N 1 1 304.354 -1.017 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448284 664266310 /nfs/dbraw/zinc/26/63/10/664266310.db2.gz NGIPEOPBACNXKS-KOLCDFICSA-N 1 1 310.354 -1.874 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958438676 664266405 /nfs/dbraw/zinc/26/64/05/664266405.db2.gz LLYQYVMCJOQAMF-ZYHUDNBSSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958438676 664266408 /nfs/dbraw/zinc/26/64/08/664266408.db2.gz LLYQYVMCJOQAMF-ZYHUDNBSSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958438673 664266607 /nfs/dbraw/zinc/26/66/07/664266607.db2.gz LLYQYVMCJOQAMF-CMPLNLGQSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958438673 664266611 /nfs/dbraw/zinc/26/66/11/664266611.db2.gz LLYQYVMCJOQAMF-CMPLNLGQSA-N 1 1 309.370 -1.199 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c(C)n1 ZINC000958435630 664266624 /nfs/dbraw/zinc/26/66/24/664266624.db2.gz QATRNDLMZPKTRI-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c(C)n1 ZINC000958435630 664266627 /nfs/dbraw/zinc/26/66/27/664266627.db2.gz QATRNDLMZPKTRI-DGCLKSJQSA-N 1 1 323.397 -1.020 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436676 664266672 /nfs/dbraw/zinc/26/66/72/664266672.db2.gz YYIYVCLZFFFZDX-AAEUAGOBSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436676 664266675 /nfs/dbraw/zinc/26/66/75/664266675.db2.gz YYIYVCLZFFFZDX-AAEUAGOBSA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958436021 664266696 /nfs/dbraw/zinc/26/66/96/664266696.db2.gz SRGSFMVZSYQIRU-KOLCDFICSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]1 ZINC000958436021 664266699 /nfs/dbraw/zinc/26/66/99/664266699.db2.gz SRGSFMVZSYQIRU-KOLCDFICSA-N 1 1 308.338 -1.397 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958452818 664266937 /nfs/dbraw/zinc/26/69/37/664266937.db2.gz HMPLMXHAVQHCDN-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958452818 664266939 /nfs/dbraw/zinc/26/69/39/664266939.db2.gz HMPLMXHAVQHCDN-CMPLNLGQSA-N 1 1 309.370 -1.028 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958452949 664266954 /nfs/dbraw/zinc/26/69/54/664266954.db2.gz IZWVMLAJXUNQPC-RYUDHWBXSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958452949 664266956 /nfs/dbraw/zinc/26/69/56/664266956.db2.gz IZWVMLAJXUNQPC-RYUDHWBXSA-N 1 1 321.381 -1.345 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958459254 664267375 /nfs/dbraw/zinc/26/73/75/664267375.db2.gz NGZVWXWPYBYBCS-ZYHUDNBSSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1nc(C)ccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958459254 664267379 /nfs/dbraw/zinc/26/73/79/664267379.db2.gz NGZVWXWPYBYBCS-ZYHUDNBSSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c(C)nn1C ZINC000958449735 664267521 /nfs/dbraw/zinc/26/75/21/664267521.db2.gz WTOUXPXYPJYLOH-WDEREUQCSA-N 1 1 312.370 -1.248 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958452946 664267531 /nfs/dbraw/zinc/26/75/31/664267531.db2.gz IZWVMLAJXUNQPC-NEPJUHHUSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958452946 664267533 /nfs/dbraw/zinc/26/75/33/664267533.db2.gz IZWVMLAJXUNQPC-NEPJUHHUSA-N 1 1 321.381 -1.345 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958462999 664268034 /nfs/dbraw/zinc/26/80/34/664268034.db2.gz JYDOOWZAUYPUTE-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958462999 664268039 /nfs/dbraw/zinc/26/80/39/664268039.db2.gz JYDOOWZAUYPUTE-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958463033 664268307 /nfs/dbraw/zinc/26/83/07/664268307.db2.gz KMGGJPAIOXHDAD-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958463033 664268311 /nfs/dbraw/zinc/26/83/11/664268311.db2.gz KMGGJPAIOXHDAD-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO COc1cncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958464584 664268525 /nfs/dbraw/zinc/26/85/25/664268525.db2.gz YSOILVFPJUEEKO-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO COCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)no1 ZINC000958466937 664268601 /nfs/dbraw/zinc/26/86/01/664268601.db2.gz DAVQRWNNZGHVBA-GZMMTYOYSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)no1 ZINC000958466937 664268604 /nfs/dbraw/zinc/26/86/04/664268604.db2.gz DAVQRWNNZGHVBA-GZMMTYOYSA-N 1 1 312.326 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476283 664268765 /nfs/dbraw/zinc/26/87/65/664268765.db2.gz HXGNBTLSRUHQQB-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476283 664268768 /nfs/dbraw/zinc/26/87/68/664268768.db2.gz HXGNBTLSRUHQQB-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)nc(C)n2)[C@H](O)C1 ZINC000958476284 664269001 /nfs/dbraw/zinc/26/90/01/664269001.db2.gz HXGNBTLSRUHQQB-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)nc(C)n2)[C@H](O)C1 ZINC000958476284 664269003 /nfs/dbraw/zinc/26/90/03/664269003.db2.gz HXGNBTLSRUHQQB-DGCLKSJQSA-N 1 1 321.381 -1.138 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958475906 664269407 /nfs/dbraw/zinc/26/94/07/664269407.db2.gz DWZULUHZHVPWHN-QWRGUYRKSA-N 1 1 313.354 -2.170 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000958473793 664269438 /nfs/dbraw/zinc/26/94/38/664269438.db2.gz FBPODWMDEFIIDF-QNWHQSFQSA-N 1 1 307.354 -1.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)C1 ZINC000958473793 664269441 /nfs/dbraw/zinc/26/94/41/664269441.db2.gz FBPODWMDEFIIDF-QNWHQSFQSA-N 1 1 307.354 -1.053 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958477122 664269726 /nfs/dbraw/zinc/26/97/26/664269726.db2.gz USUZEPHUEYAVGU-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958477122 664269728 /nfs/dbraw/zinc/26/97/28/664269728.db2.gz USUZEPHUEYAVGU-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC000958477623 664269734 /nfs/dbraw/zinc/26/97/34/664269734.db2.gz ZJMAAEGUBREXPD-GHMZBOCLSA-N 1 1 313.354 -1.906 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476644 664270030 /nfs/dbraw/zinc/27/00/30/664270030.db2.gz NBGGKGQSDBIXHH-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn3ccnc23)C1 ZINC000958476644 664270034 /nfs/dbraw/zinc/27/00/34/664270034.db2.gz NBGGKGQSDBIXHH-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481788 664270820 /nfs/dbraw/zinc/27/08/20/664270820.db2.gz SEYKRSASYOWUHK-MNOVXSKESA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nncn3c2)C1 ZINC000958481788 664270822 /nfs/dbraw/zinc/27/08/22/664270822.db2.gz SEYKRSASYOWUHK-MNOVXSKESA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958484880 664270894 /nfs/dbraw/zinc/27/08/94/664270894.db2.gz DSHOTCDZVVNAKJ-NWDGAFQWSA-N 1 1 309.366 -1.142 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958481765 664270901 /nfs/dbraw/zinc/27/09/01/664270901.db2.gz RWCZJWYZFNYQGK-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488697 664271205 /nfs/dbraw/zinc/27/12/05/664271205.db2.gz FTJQUVVHAKGUTQ-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488697 664271208 /nfs/dbraw/zinc/27/12/08/664271208.db2.gz FTJQUVVHAKGUTQ-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC000958493314 664271226 /nfs/dbraw/zinc/27/12/26/664271226.db2.gz FXLBHTXMIYLSFY-MNOVXSKESA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958493314 664271229 /nfs/dbraw/zinc/27/12/29/664271229.db2.gz FXLBHTXMIYLSFY-MNOVXSKESA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958493314 664271230 /nfs/dbraw/zinc/27/12/30/664271230.db2.gz FXLBHTXMIYLSFY-MNOVXSKESA-N 1 1 322.369 -1.550 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958494309 664271333 /nfs/dbraw/zinc/27/13/33/664271333.db2.gz NXURVYDCNHKEGP-YPMHNXCESA-N 1 1 324.381 -1.332 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 ZINC000958494462 664271460 /nfs/dbraw/zinc/27/14/60/664271460.db2.gz PJRXTXZUSBARPG-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 ZINC000958494462 664271462 /nfs/dbraw/zinc/27/14/62/664271462.db2.gz PJRXTXZUSBARPG-PWSUYJOCSA-N 1 1 307.354 -1.413 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494314 664271469 /nfs/dbraw/zinc/27/14/69/664271469.db2.gz OBBDJHSIOAMFKS-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494314 664271471 /nfs/dbraw/zinc/27/14/71/664271471.db2.gz OBBDJHSIOAMFKS-AAEUAGOBSA-N 1 1 321.381 -1.138 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC000958493627 664271505 /nfs/dbraw/zinc/27/15/05/664271505.db2.gz HWVIQPMMOKBXQP-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1)N1CCC1 ZINC000958493627 664271507 /nfs/dbraw/zinc/27/15/07/664271507.db2.gz HWVIQPMMOKBXQP-DGCLKSJQSA-N 1 1 319.365 -1.269 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958494460 664271673 /nfs/dbraw/zinc/27/16/73/664271673.db2.gz PJRXTXZUSBARPG-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958494460 664271678 /nfs/dbraw/zinc/27/16/78/664271678.db2.gz PJRXTXZUSBARPG-JQWIXIFHSA-N 1 1 307.354 -1.413 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC000958493265 664271739 /nfs/dbraw/zinc/27/17/39/664271739.db2.gz FLHZVRGRMVKNIN-JQWIXIFHSA-N 1 1 310.354 -1.722 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488695 664271866 /nfs/dbraw/zinc/27/18/66/664271866.db2.gz FTJQUVVHAKGUTQ-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488695 664271868 /nfs/dbraw/zinc/27/18/68/664271868.db2.gz FTJQUVVHAKGUTQ-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC000958493316 664271871 /nfs/dbraw/zinc/27/18/71/664271871.db2.gz FXLBHTXMIYLSFY-QWRGUYRKSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958493316 664271874 /nfs/dbraw/zinc/27/18/74/664271874.db2.gz FXLBHTXMIYLSFY-QWRGUYRKSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958493316 664271876 /nfs/dbraw/zinc/27/18/76/664271876.db2.gz FXLBHTXMIYLSFY-QWRGUYRKSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495442 664272586 /nfs/dbraw/zinc/27/25/86/664272586.db2.gz YSOBMGYOUZIJKU-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495442 664272588 /nfs/dbraw/zinc/27/25/88/664272588.db2.gz YSOBMGYOUZIJKU-GWCFXTLKSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2ncccn2n1 ZINC000958495347 664272763 /nfs/dbraw/zinc/27/27/63/664272763.db2.gz XFSIOQOKDBMWCV-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958498482 664272827 /nfs/dbraw/zinc/27/28/27/664272827.db2.gz HAPGHFOVCMRRQW-MNOVXSKESA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501182 664273438 /nfs/dbraw/zinc/27/34/38/664273438.db2.gz ZZIYZFSDXUEMRU-RYUDHWBXSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501182 664273441 /nfs/dbraw/zinc/27/34/41/664273441.db2.gz ZZIYZFSDXUEMRU-RYUDHWBXSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC000958502618 664273686 /nfs/dbraw/zinc/27/36/86/664273686.db2.gz GATSXRSOZXESKC-ZJUUUORDSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958502618 664273688 /nfs/dbraw/zinc/27/36/88/664273688.db2.gz GATSXRSOZXESKC-ZJUUUORDSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC000958502618 664273690 /nfs/dbraw/zinc/27/36/90/664273690.db2.gz GATSXRSOZXESKC-ZJUUUORDSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1)N1CCC1 ZINC000958501183 664273896 /nfs/dbraw/zinc/27/38/96/664273896.db2.gz ZZIYZFSDXUEMRU-VXGBXAGGSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](O)C1)N1CCC1 ZINC000958501183 664273902 /nfs/dbraw/zinc/27/39/02/664273902.db2.gz ZZIYZFSDXUEMRU-VXGBXAGGSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)NC1CC1 ZINC000958502766 664273977 /nfs/dbraw/zinc/27/39/77/664273977.db2.gz JSJJWQOVJQMCQS-LDYMZIIASA-N 1 1 309.326 -1.629 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)NC1CC1 ZINC000958502766 664273981 /nfs/dbraw/zinc/27/39/81/664273981.db2.gz JSJJWQOVJQMCQS-LDYMZIIASA-N 1 1 309.326 -1.629 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958501041 664274045 /nfs/dbraw/zinc/27/40/45/664274045.db2.gz YSNNOGVMZQNKDQ-QWRGUYRKSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccn2)C1 ZINC000958501041 664274049 /nfs/dbraw/zinc/27/40/49/664274049.db2.gz YSNNOGVMZQNKDQ-QWRGUYRKSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnon1 ZINC000958506930 664274367 /nfs/dbraw/zinc/27/43/67/664274367.db2.gz IFYVSTZFPXYBEZ-ZYHUDNBSSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnon1 ZINC000958506176 664274461 /nfs/dbraw/zinc/27/44/61/664274461.db2.gz BYYWRHPZAMUDAA-GXSJLCMTSA-N 1 1 324.341 -1.883 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC000958506218 664274625 /nfs/dbraw/zinc/27/46/25/664274625.db2.gz CUAUHUKBFQZYAO-PWSUYJOCSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnon1 ZINC000958506928 664274929 /nfs/dbraw/zinc/27/49/29/664274929.db2.gz IFYVSTZFPXYBEZ-JQWIXIFHSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511387 664275668 /nfs/dbraw/zinc/27/56/68/664275668.db2.gz GFFINZMZWQVTCS-ONGXEEELSA-N 1 1 309.326 -1.676 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511387 664275676 /nfs/dbraw/zinc/27/56/76/664275676.db2.gz GFFINZMZWQVTCS-ONGXEEELSA-N 1 1 309.326 -1.676 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nc3ncccn3n2)C1 ZINC000958507548 664275873 /nfs/dbraw/zinc/27/58/73/664275873.db2.gz SCRWHOQQAPQEAR-MNOVXSKESA-N 1 1 320.353 -1.207 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC000958516804 664276285 /nfs/dbraw/zinc/27/62/85/664276285.db2.gz WMLBLHIOEZSPHI-NWDGAFQWSA-N 1 1 317.353 -1.209 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n(C)n1 ZINC000958522850 664276297 /nfs/dbraw/zinc/27/62/97/664276297.db2.gz SYWKNBBXJITWPH-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n(C)n1 ZINC000958522850 664276301 /nfs/dbraw/zinc/27/63/01/664276301.db2.gz SYWKNBBXJITWPH-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c1C ZINC000958520037 664276314 /nfs/dbraw/zinc/27/63/14/664276314.db2.gz RYRUDEWCUCWROT-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c1C ZINC000958520037 664276317 /nfs/dbraw/zinc/27/63/17/664276317.db2.gz RYRUDEWCUCWROT-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2F)C1 ZINC000958522728 664276370 /nfs/dbraw/zinc/27/63/70/664276370.db2.gz SDZPNPWITWGXRE-ONGXEEELSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncccc2F)C1 ZINC000958522728 664276374 /nfs/dbraw/zinc/27/63/74/664276374.db2.gz SDZPNPWITWGXRE-ONGXEEELSA-N 1 1 310.329 -1.011 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC000958522523 664276583 /nfs/dbraw/zinc/27/65/83/664276583.db2.gz QOPNDTDYCIANQE-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n(C)n1 ZINC000958522523 664276585 /nfs/dbraw/zinc/27/65/85/664276585.db2.gz QOPNDTDYCIANQE-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccc2F)[C@H](O)C1 ZINC000958522727 664276593 /nfs/dbraw/zinc/27/65/93/664276593.db2.gz SDZPNPWITWGXRE-MWLCHTKSSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncccc2F)[C@H](O)C1 ZINC000958522727 664276594 /nfs/dbraw/zinc/27/65/94/664276594.db2.gz SDZPNPWITWGXRE-MWLCHTKSSA-N 1 1 310.329 -1.011 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958525838 664277101 /nfs/dbraw/zinc/27/71/01/664277101.db2.gz KOPQJWLBPDBMCR-JQWIXIFHSA-N 1 1 310.354 -1.218 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958524838 664277308 /nfs/dbraw/zinc/27/73/08/664277308.db2.gz DENOBIQNXWBOIJ-CMPLNLGQSA-N 1 1 310.354 -1.482 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556800 664277365 /nfs/dbraw/zinc/27/73/65/664277365.db2.gz WHAVLMLJECECEM-JQWIXIFHSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556800 664277369 /nfs/dbraw/zinc/27/73/69/664277369.db2.gz WHAVLMLJECECEM-JQWIXIFHSA-N 1 1 322.365 -1.141 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958553052 664277489 /nfs/dbraw/zinc/27/74/89/664277489.db2.gz ZQFMXERCYLKZGO-KOLCDFICSA-N 1 1 310.358 -1.633 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958553052 664277492 /nfs/dbraw/zinc/27/74/92/664277492.db2.gz ZQFMXERCYLKZGO-KOLCDFICSA-N 1 1 310.358 -1.633 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(OC)n2)[C@H](O)C1 ZINC000958556804 664277524 /nfs/dbraw/zinc/27/75/24/664277524.db2.gz WHAVLMLJECECEM-ZYHUDNBSSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(OC)n2)[C@H](O)C1 ZINC000958556804 664277527 /nfs/dbraw/zinc/27/75/27/664277527.db2.gz WHAVLMLJECECEM-ZYHUDNBSSA-N 1 1 322.365 -1.141 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524727 664277561 /nfs/dbraw/zinc/27/75/61/664277561.db2.gz BLAFBXGAPRSIBF-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524727 664277562 /nfs/dbraw/zinc/27/75/62/664277562.db2.gz BLAFBXGAPRSIBF-IONNQARKSA-N 1 1 317.296 -1.214 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958548175 664277642 /nfs/dbraw/zinc/27/76/42/664277642.db2.gz OKILXGWJLJOATB-CMPLNLGQSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958548175 664277645 /nfs/dbraw/zinc/27/76/45/664277645.db2.gz OKILXGWJLJOATB-CMPLNLGQSA-N 1 1 322.365 -1.143 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC000958527386 664277696 /nfs/dbraw/zinc/27/76/96/664277696.db2.gz ZXDXDOLHNRXVIW-YPMHNXCESA-N 1 1 309.370 -1.297 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958553054 664277941 /nfs/dbraw/zinc/27/79/41/664277941.db2.gz ZQFMXERCYLKZGO-ONGXEEELSA-N 1 1 310.358 -1.633 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nn1 ZINC000958553054 664277943 /nfs/dbraw/zinc/27/79/43/664277943.db2.gz ZQFMXERCYLKZGO-ONGXEEELSA-N 1 1 310.358 -1.633 20 0 DAADMO Cn1ncc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958525409 664277981 /nfs/dbraw/zinc/27/79/81/664277981.db2.gz HVNSDCQLDBEULL-STQMWFEESA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526391 664278077 /nfs/dbraw/zinc/27/80/77/664278077.db2.gz PIAROPDDCYEGNQ-SCZZXKLOSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526391 664278079 /nfs/dbraw/zinc/27/80/79/664278079.db2.gz PIAROPDDCYEGNQ-SCZZXKLOSA-N 1 1 309.326 -2.379 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958553053 664278083 /nfs/dbraw/zinc/27/80/83/664278083.db2.gz ZQFMXERCYLKZGO-MWLCHTKSSA-N 1 1 310.358 -1.633 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958553053 664278085 /nfs/dbraw/zinc/27/80/85/664278085.db2.gz ZQFMXERCYLKZGO-MWLCHTKSSA-N 1 1 310.358 -1.633 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581703 664278283 /nfs/dbraw/zinc/27/82/83/664278283.db2.gz ROOQZPWPNXXTBV-NWDGAFQWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581703 664278287 /nfs/dbraw/zinc/27/82/87/664278287.db2.gz ROOQZPWPNXXTBV-NWDGAFQWSA-N 1 1 317.349 -1.158 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958566764 664278345 /nfs/dbraw/zinc/27/83/45/664278345.db2.gz IOMGCLDMOGABQV-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958566764 664278350 /nfs/dbraw/zinc/27/83/50/664278350.db2.gz IOMGCLDMOGABQV-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3c2CCCC3)[C@H](O)C1 ZINC000958571223 664278458 /nfs/dbraw/zinc/27/84/58/664278458.db2.gz SRZVOIQHNUCOPP-ZWNOBZJWSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3c2CCCC3)[C@H](O)C1 ZINC000958571223 664278460 /nfs/dbraw/zinc/27/84/60/664278460.db2.gz SRZVOIQHNUCOPP-ZWNOBZJWSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577786 664278873 /nfs/dbraw/zinc/27/88/73/664278873.db2.gz MRRXSIMBTYHBJD-WCQYABFASA-N 1 1 321.381 -1.199 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958577786 664278876 /nfs/dbraw/zinc/27/88/76/664278876.db2.gz MRRXSIMBTYHBJD-WCQYABFASA-N 1 1 321.381 -1.199 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958563389 664278974 /nfs/dbraw/zinc/27/89/74/664278974.db2.gz MTQRPZMCRGXXJZ-NEPJUHHUSA-N 1 1 310.354 -1.110 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O)CCC2 ZINC000958586855 664279403 /nfs/dbraw/zinc/27/94/03/664279403.db2.gz DENIQUXCPJEDEA-BXKDBHETSA-N 1 1 321.381 -1.583 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O)CCC2 ZINC000958586855 664279407 /nfs/dbraw/zinc/27/94/07/664279407.db2.gz DENIQUXCPJEDEA-BXKDBHETSA-N 1 1 321.381 -1.583 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958586454 664279461 /nfs/dbraw/zinc/27/94/61/664279461.db2.gz JYSTYOLMJXCFMG-VIKVFOODSA-N 1 1 322.409 -1.403 20 0 DAADMO COCc1nocc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958583129 664279737 /nfs/dbraw/zinc/27/97/37/664279737.db2.gz DSNQNIPPAITWQK-KWQFWETISA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nocc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958583129 664279741 /nfs/dbraw/zinc/27/97/41/664279741.db2.gz DSNQNIPPAITWQK-KWQFWETISA-N 1 1 312.326 -1.671 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC000958593639 664280143 /nfs/dbraw/zinc/28/01/43/664280143.db2.gz AUPUITABOLYZER-YPMHNXCESA-N 1 1 309.366 -1.210 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958599396 664280550 /nfs/dbraw/zinc/28/05/50/664280550.db2.gz POFDOKGUVJUJEZ-PWSUYJOCSA-N 1 1 309.370 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600315 664280624 /nfs/dbraw/zinc/28/06/24/664280624.db2.gz YYCYBQLGKAAVLM-JQWIXIFHSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600315 664280627 /nfs/dbraw/zinc/28/06/27/664280627.db2.gz YYCYBQLGKAAVLM-JQWIXIFHSA-N 1 1 322.365 -1.846 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1=O ZINC000958599877 664280737 /nfs/dbraw/zinc/28/07/37/664280737.db2.gz VESXVACMKBGPNZ-ONGXEEELSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1=O ZINC000958599877 664280740 /nfs/dbraw/zinc/28/07/40/664280740.db2.gz VESXVACMKBGPNZ-ONGXEEELSA-N 1 1 308.338 -2.107 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958613889 664281509 /nfs/dbraw/zinc/28/15/09/664281509.db2.gz IVYZRYXBJKMHJI-SFDCQRBFSA-N 1 1 322.409 -1.404 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623625 664281839 /nfs/dbraw/zinc/28/18/39/664281839.db2.gz XEGAFULEXBFXHY-MNOVXSKESA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623625 664281842 /nfs/dbraw/zinc/28/18/42/664281842.db2.gz XEGAFULEXBFXHY-MNOVXSKESA-N 1 1 322.365 -1.141 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621847 664281983 /nfs/dbraw/zinc/28/19/83/664281983.db2.gz NKRYVPISGVDJIX-IAZYJMLFSA-N 1 1 318.341 -1.641 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621847 664281985 /nfs/dbraw/zinc/28/19/85/664281985.db2.gz NKRYVPISGVDJIX-IAZYJMLFSA-N 1 1 318.341 -1.641 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958618263 664282093 /nfs/dbraw/zinc/28/20/93/664282093.db2.gz QFTZHSMMOZPJOR-RQJABVFESA-N 1 1 320.397 -1.345 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621322 664282153 /nfs/dbraw/zinc/28/21/53/664282153.db2.gz IBNBHEHYSVCOCD-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958626995 664282442 /nfs/dbraw/zinc/28/24/42/664282442.db2.gz RFFGYPQQNNYGCU-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958626995 664282444 /nfs/dbraw/zinc/28/24/44/664282444.db2.gz RFFGYPQQNNYGCU-WPRPVWTQSA-N 1 1 311.342 -2.064 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958631339 664282533 /nfs/dbraw/zinc/28/25/33/664282533.db2.gz PVBFMBGHYVPYCY-UWVGGRQHSA-N 1 1 300.334 -1.118 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635633 664283037 /nfs/dbraw/zinc/28/30/37/664283037.db2.gz NLQRBOHWIYVZKD-JQWIXIFHSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635633 664283042 /nfs/dbraw/zinc/28/30/42/664283042.db2.gz NLQRBOHWIYVZKD-JQWIXIFHSA-N 1 1 319.365 -1.138 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639700 664283058 /nfs/dbraw/zinc/28/30/58/664283058.db2.gz ITUKKLUEOQVGEH-MNOVXSKESA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639700 664283060 /nfs/dbraw/zinc/28/30/60/664283060.db2.gz ITUKKLUEOQVGEH-MNOVXSKESA-N 1 1 308.338 -1.444 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)nn21 ZINC000958643491 664283325 /nfs/dbraw/zinc/28/33/25/664283325.db2.gz ANQXGEMQPGLLRD-QWRGUYRKSA-N 1 1 320.353 -1.552 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1N ZINC000958634095 664283416 /nfs/dbraw/zinc/28/34/16/664283416.db2.gz VDYJODPJTPCFSN-YTWAJWBKSA-N 1 1 304.354 -1.449 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nn21 ZINC000958643490 664283445 /nfs/dbraw/zinc/28/34/45/664283445.db2.gz ANQXGEMQPGLLRD-MNOVXSKESA-N 1 1 320.353 -1.552 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639702 664283501 /nfs/dbraw/zinc/28/35/01/664283501.db2.gz ITUKKLUEOQVGEH-WDEREUQCSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639702 664283503 /nfs/dbraw/zinc/28/35/03/664283503.db2.gz ITUKKLUEOQVGEH-WDEREUQCSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958639117 664283529 /nfs/dbraw/zinc/28/35/29/664283529.db2.gz YKBGHJFPUDEPNS-SNXWAXQRSA-N 1 1 306.370 -1.203 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958649880 664284388 /nfs/dbraw/zinc/28/43/88/664284388.db2.gz RPUJMMYKGPAXOC-JQWIXIFHSA-N 1 1 310.354 -1.815 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649152 664284499 /nfs/dbraw/zinc/28/44/99/664284499.db2.gz HRLIOUYLEDPIFI-JQWIXIFHSA-N 1 1 310.354 -1.551 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2n[nH]nc2c1 ZINC000958662792 664284765 /nfs/dbraw/zinc/28/47/65/664284765.db2.gz YUPPMPYNIOGETE-GWCFXTLKSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662792 664284767 /nfs/dbraw/zinc/28/47/67/664284767.db2.gz YUPPMPYNIOGETE-GWCFXTLKSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2[nH]nnc2c1 ZINC000958662792 664284771 /nfs/dbraw/zinc/28/47/71/664284771.db2.gz YUPPMPYNIOGETE-GWCFXTLKSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958654622 664285087 /nfs/dbraw/zinc/28/50/87/664285087.db2.gz UYQDTHVUVLZCMX-DTWKUNHWSA-N 1 1 309.326 -2.410 20 0 DAADMO NC(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958658312 664285364 /nfs/dbraw/zinc/28/53/64/664285364.db2.gz XZZHNUNUIYLRBY-NEPJUHHUSA-N 1 1 314.386 -1.822 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958672736 664285941 /nfs/dbraw/zinc/28/59/41/664285941.db2.gz SPJOJLSZMKSOQX-NHAGDIPZSA-N 1 1 320.393 -1.210 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958672736 664285946 /nfs/dbraw/zinc/28/59/46/664285946.db2.gz SPJOJLSZMKSOQX-NHAGDIPZSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC000958693464 664286562 /nfs/dbraw/zinc/28/65/62/664286562.db2.gz FRIXVCOWKWKIES-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc(C)n2)[C@H](O)C1 ZINC000958693464 664286566 /nfs/dbraw/zinc/28/65/66/664286566.db2.gz FRIXVCOWKWKIES-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(=O)n(C)o2)C1=O ZINC000958675054 664286796 /nfs/dbraw/zinc/28/67/96/664286796.db2.gz CXZSQKSSJBMBJI-COMAGPEQSA-N 1 1 320.349 -1.131 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958692536 664286804 /nfs/dbraw/zinc/28/68/04/664286804.db2.gz BITCHNBFTYLSIS-VXGBXAGGSA-N 1 1 308.338 -1.805 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673112 664286905 /nfs/dbraw/zinc/28/69/05/664286905.db2.gz QAAMVHCLTAFUJD-CMPLNLGQSA-N 1 1 310.354 -1.218 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958675768 664286931 /nfs/dbraw/zinc/28/69/31/664286931.db2.gz PRRLDLVGBFKPRI-SREGZZRCSA-N 1 1 308.338 -1.098 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c[nH]1 ZINC000958683718 664286985 /nfs/dbraw/zinc/28/69/85/664286985.db2.gz HDNRFOJWOSUBEK-PWSUYJOCSA-N 1 1 310.354 -1.482 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673659 664287029 /nfs/dbraw/zinc/28/70/29/664287029.db2.gz UXJLPETYAZGDHT-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673659 664287033 /nfs/dbraw/zinc/28/70/33/664287033.db2.gz UXJLPETYAZGDHT-CMPLNLGQSA-N 1 1 309.370 -1.469 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958673842 664287052 /nfs/dbraw/zinc/28/70/52/664287052.db2.gz XLYHFINFCJAMEU-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958673842 664287057 /nfs/dbraw/zinc/28/70/57/664287057.db2.gz XLYHFINFCJAMEU-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958677809 664287085 /nfs/dbraw/zinc/28/70/85/664287085.db2.gz VUKGDMQKNULRHB-JQWIXIFHSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958677809 664287089 /nfs/dbraw/zinc/28/70/89/664287089.db2.gz VUKGDMQKNULRHB-JQWIXIFHSA-N 1 1 321.381 -1.345 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958684917 664287197 /nfs/dbraw/zinc/28/71/97/664287197.db2.gz OVFPRNPDGZXAOK-GWCFXTLKSA-N 1 1 321.381 -1.193 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958684917 664287200 /nfs/dbraw/zinc/28/72/00/664287200.db2.gz OVFPRNPDGZXAOK-GWCFXTLKSA-N 1 1 321.381 -1.193 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958715319 664287474 /nfs/dbraw/zinc/28/74/74/664287474.db2.gz IKQNLECLNBIZTM-CMPLNLGQSA-N 1 1 322.365 -1.415 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958715326 664287593 /nfs/dbraw/zinc/28/75/93/664287593.db2.gz IKQNLECLNBIZTM-ZYHUDNBSSA-N 1 1 322.365 -1.415 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693512 664287691 /nfs/dbraw/zinc/28/76/91/664287691.db2.gz GSQRGRLJSYONJL-WDEREUQCSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958693512 664287693 /nfs/dbraw/zinc/28/76/93/664287693.db2.gz GSQRGRLJSYONJL-WDEREUQCSA-N 1 1 321.337 -2.312 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958694203 664287733 /nfs/dbraw/zinc/28/77/33/664287733.db2.gz JHHSUCRUYNWANO-STQMWFEESA-N 1 1 322.365 -1.151 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 ZINC000958694199 664287786 /nfs/dbraw/zinc/28/77/86/664287786.db2.gz JHHSUCRUYNWANO-CHWSQXEVSA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958713567 664287899 /nfs/dbraw/zinc/28/78/99/664287899.db2.gz DXWVETKWKPDAEM-KOLCDFICSA-N 1 1 308.338 -1.805 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958694201 664288033 /nfs/dbraw/zinc/28/80/33/664288033.db2.gz JHHSUCRUYNWANO-QWHCGFSZSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000958709242 664288072 /nfs/dbraw/zinc/28/80/72/664288072.db2.gz OQTMCUSCMOBZDY-KIKITERTSA-N 1 1 306.322 -1.473 20 0 DAADMO Cc1nccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958698485 664288098 /nfs/dbraw/zinc/28/80/98/664288098.db2.gz VGNGKNDECDNEKA-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1nccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958698485 664288099 /nfs/dbraw/zinc/28/80/99/664288099.db2.gz VGNGKNDECDNEKA-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC000958698194 664288111 /nfs/dbraw/zinc/28/81/11/664288111.db2.gz OWYRLQDGUVBJDD-HWNAMQAFSA-N 1 1 308.382 -1.354 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958726998 664288286 /nfs/dbraw/zinc/28/82/86/664288286.db2.gz BSIMQUZBCHZJDR-WPRPVWTQSA-N 1 1 312.330 -3.222 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958718525 664288309 /nfs/dbraw/zinc/28/83/09/664288309.db2.gz VSEHQEYMJLIPGX-WDEREUQCSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958718525 664288313 /nfs/dbraw/zinc/28/83/13/664288313.db2.gz VSEHQEYMJLIPGX-WDEREUQCSA-N 1 1 322.365 -1.088 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958726995 664288457 /nfs/dbraw/zinc/28/84/57/664288457.db2.gz BSIMQUZBCHZJDR-PSASIEDQSA-N 1 1 312.330 -3.222 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958726996 664288657 /nfs/dbraw/zinc/28/86/57/664288657.db2.gz BSIMQUZBCHZJDR-SCZZXKLOSA-N 1 1 312.330 -3.222 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958718524 664288754 /nfs/dbraw/zinc/28/87/54/664288754.db2.gz VSEHQEYMJLIPGX-QWRGUYRKSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958718524 664288756 /nfs/dbraw/zinc/28/87/56/664288756.db2.gz VSEHQEYMJLIPGX-QWRGUYRKSA-N 1 1 322.365 -1.088 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1noc2c1COCC2 ZINC000958723571 664288866 /nfs/dbraw/zinc/28/88/66/664288866.db2.gz HTUQLTWQZASBSN-GXSJLCMTSA-N 1 1 311.338 -1.238 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2noc3c2COCC3)[C@H](O)C1 ZINC000958725397 664288907 /nfs/dbraw/zinc/28/89/07/664288907.db2.gz YPPVDGNPPUKZAT-PSASIEDQSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2noc3c2COCC3)[C@H](O)C1 ZINC000958725397 664288910 /nfs/dbraw/zinc/28/89/10/664288910.db2.gz YPPVDGNPPUKZAT-PSASIEDQSA-N 1 1 324.337 -1.745 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735475 664289310 /nfs/dbraw/zinc/28/93/10/664289310.db2.gz CTUUMCNYTNJLPL-GZMMTYOYSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958735475 664289313 /nfs/dbraw/zinc/28/93/13/664289313.db2.gz CTUUMCNYTNJLPL-GZMMTYOYSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)n(C)c1=O ZINC000958735781 664289371 /nfs/dbraw/zinc/28/93/71/664289371.db2.gz FOYGBNJAOYIWHB-MWLCHTKSSA-N 1 1 300.334 -1.284 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)n(C)c1=O ZINC000958735781 664289375 /nfs/dbraw/zinc/28/93/75/664289375.db2.gz FOYGBNJAOYIWHB-MWLCHTKSSA-N 1 1 300.334 -1.284 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729626 664289379 /nfs/dbraw/zinc/28/93/79/664289379.db2.gz WRRAGKGDIJGGDH-JQWIXIFHSA-N 1 1 324.385 -1.414 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)n(C)c1=O ZINC000958736503 664289626 /nfs/dbraw/zinc/28/96/26/664289626.db2.gz PGVMBOUNXJKIBC-CMPLNLGQSA-N 1 1 312.370 -1.871 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000958736573 664289757 /nfs/dbraw/zinc/28/97/57/664289757.db2.gz QHXPHCLLRNPKRJ-MFKMUULPSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)n(C)c1=O ZINC000958735779 664289907 /nfs/dbraw/zinc/28/99/07/664289907.db2.gz FOYGBNJAOYIWHB-GXSJLCMTSA-N 1 1 300.334 -1.284 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)n(C)c1=O ZINC000958735779 664289908 /nfs/dbraw/zinc/28/99/08/664289908.db2.gz FOYGBNJAOYIWHB-GXSJLCMTSA-N 1 1 300.334 -1.284 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958729627 664289923 /nfs/dbraw/zinc/28/99/23/664289923.db2.gz WRRAGKGDIJGGDH-PWSUYJOCSA-N 1 1 324.385 -1.414 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958740798 664290257 /nfs/dbraw/zinc/29/02/57/664290257.db2.gz VYGOWLGGTVAALU-ZWNOBZJWSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958740798 664290259 /nfs/dbraw/zinc/29/02/59/664290259.db2.gz VYGOWLGGTVAALU-ZWNOBZJWSA-N 1 1 321.381 -1.345 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)N1CCCC1 ZINC000958741067 664290437 /nfs/dbraw/zinc/29/04/37/664290437.db2.gz BOVURDLCHJQNGB-XZUYRWCXSA-N 1 1 322.365 -1.236 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958740186 664290511 /nfs/dbraw/zinc/29/05/11/664290511.db2.gz KSQHSLGKGCMUCP-WDEREUQCSA-N 1 1 323.353 -1.367 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958740186 664290514 /nfs/dbraw/zinc/29/05/14/664290514.db2.gz KSQHSLGKGCMUCP-WDEREUQCSA-N 1 1 323.353 -1.367 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC000958737144 664290740 /nfs/dbraw/zinc/29/07/40/664290740.db2.gz XVNXKVKIPKQAGH-JQWIXIFHSA-N 1 1 312.370 -1.607 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC000958746455 664291092 /nfs/dbraw/zinc/29/10/92/664291092.db2.gz GUNUKDJLOBJRTR-KLBPJQLPSA-N 1 1 308.338 -1.627 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC000958745950 664291175 /nfs/dbraw/zinc/29/11/75/664291175.db2.gz BJKCLBMMIBMGOI-MIZYBKAJSA-N 1 1 308.338 -1.580 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC000958745950 664291177 /nfs/dbraw/zinc/29/11/77/664291177.db2.gz BJKCLBMMIBMGOI-MIZYBKAJSA-N 1 1 308.338 -1.580 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 ZINC000958748204 664291466 /nfs/dbraw/zinc/29/14/66/664291466.db2.gz JHEWHQRZACABPQ-DGCLKSJQSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C1CC1 ZINC000958747911 664291482 /nfs/dbraw/zinc/29/14/82/664291482.db2.gz DSMJVMYJAIOEHP-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C1CC1 ZINC000958747911 664291484 /nfs/dbraw/zinc/29/14/84/664291484.db2.gz DSMJVMYJAIOEHP-CMPLNLGQSA-N 1 1 321.381 -1.195 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958748999 664291582 /nfs/dbraw/zinc/29/15/82/664291582.db2.gz UTWRMHMDQBLPON-MWLCHTKSSA-N 1 1 323.353 -1.321 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC000958748999 664291584 /nfs/dbraw/zinc/29/15/84/664291584.db2.gz UTWRMHMDQBLPON-MWLCHTKSSA-N 1 1 323.353 -1.321 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000958747227 664291590 /nfs/dbraw/zinc/29/15/90/664291590.db2.gz SCMBLDVTCDWSJJ-WHOHXGKFSA-N 1 1 320.353 -1.047 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000958747227 664291592 /nfs/dbraw/zinc/29/15/92/664291592.db2.gz SCMBLDVTCDWSJJ-WHOHXGKFSA-N 1 1 320.353 -1.047 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958748102 664291796 /nfs/dbraw/zinc/29/17/96/664291796.db2.gz HPYKIXDCTXUECG-ZJUUUORDSA-N 1 1 311.342 -1.511 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958748102 664291798 /nfs/dbraw/zinc/29/17/98/664291798.db2.gz HPYKIXDCTXUECG-ZJUUUORDSA-N 1 1 311.342 -1.511 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)nn1 ZINC000958760259 664291976 /nfs/dbraw/zinc/29/19/76/664291976.db2.gz KWMVJGRUMQBJLF-CCCLYZFWSA-N 1 1 318.337 -1.720 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)nn1 ZINC000958760262 664292074 /nfs/dbraw/zinc/29/20/74/664292074.db2.gz KWMVJGRUMQBJLF-RBPQBLHMSA-N 1 1 318.337 -1.720 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000958760920 664292111 /nfs/dbraw/zinc/29/21/11/664292111.db2.gz SENNUDOHNCEZDY-YTWAJWBKSA-N 1 1 304.354 -1.294 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)nn1 ZINC000958761599 664292149 /nfs/dbraw/zinc/29/21/49/664292149.db2.gz YNSSUBPVTSVRIP-IAZYJMLFSA-N 1 1 319.369 -1.500 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958757378 664292209 /nfs/dbraw/zinc/29/22/09/664292209.db2.gz BBRJUYJFWCQKNC-DCAQKATOSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000958757378 664292212 /nfs/dbraw/zinc/29/22/12/664292212.db2.gz BBRJUYJFWCQKNC-DCAQKATOSA-N 1 1 322.369 -1.457 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1C ZINC000958758629 664292309 /nfs/dbraw/zinc/29/23/09/664292309.db2.gz LCPZAQXYKUSTDL-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1C ZINC000958758629 664292310 /nfs/dbraw/zinc/29/23/10/664292310.db2.gz LCPZAQXYKUSTDL-MFKMUULPSA-N 1 1 323.397 -1.249 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)nn1 ZINC000958761412 664292372 /nfs/dbraw/zinc/29/23/72/664292372.db2.gz XBFGRQKNIKZHAN-DMWPJOQESA-N 1 1 304.354 -1.246 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958773368 664292605 /nfs/dbraw/zinc/29/26/05/664292605.db2.gz JZTSQWDQLHIGKE-AAEUAGOBSA-N 1 1 322.365 -1.415 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770005 664292627 /nfs/dbraw/zinc/29/26/27/664292627.db2.gz LXMGFELYSQADPW-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770005 664292629 /nfs/dbraw/zinc/29/26/29/664292629.db2.gz LXMGFELYSQADPW-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958771538 664292635 /nfs/dbraw/zinc/29/26/35/664292635.db2.gz ZTWYRWWRJFSSSA-GHMZBOCLSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958771538 664292636 /nfs/dbraw/zinc/29/26/36/664292636.db2.gz ZTWYRWWRJFSSSA-GHMZBOCLSA-N 1 1 322.365 -1.012 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958773295 664292640 /nfs/dbraw/zinc/29/26/40/664292640.db2.gz ITPQJIYLHBLECG-JQWIXIFHSA-N 1 1 308.338 -1.805 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000958774411 664292845 /nfs/dbraw/zinc/29/28/45/664292845.db2.gz LFZPUDUGBZTMCV-BSJXLVFVSA-N 1 1 304.354 -1.294 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958763798 664292856 /nfs/dbraw/zinc/29/28/56/664292856.db2.gz WFDQRWFYPONJFX-GXSJLCMTSA-N 1 1 323.353 -1.617 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958763798 664292858 /nfs/dbraw/zinc/29/28/58/664292858.db2.gz WFDQRWFYPONJFX-GXSJLCMTSA-N 1 1 323.353 -1.617 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958763402 664292864 /nfs/dbraw/zinc/29/28/64/664292864.db2.gz SOMQKJWDESGVIO-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958763402 664292865 /nfs/dbraw/zinc/29/28/65/664292865.db2.gz SOMQKJWDESGVIO-GHMZBOCLSA-N 1 1 324.385 -1.625 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC000958785053 664293280 /nfs/dbraw/zinc/29/32/80/664293280.db2.gz IRUGQBCSEHWASF-AVGNSLFASA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1O ZINC000958785053 664293282 /nfs/dbraw/zinc/29/32/82/664293282.db2.gz IRUGQBCSEHWASF-AVGNSLFASA-N 1 1 311.382 -1.243 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)o1 ZINC000958779536 664293474 /nfs/dbraw/zinc/29/34/74/664293474.db2.gz VBXMJIXBFOGAGG-COMAGPEQSA-N 1 1 305.338 -1.145 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1)N1CCOCC1 ZINC000958808631 664293826 /nfs/dbraw/zinc/29/38/26/664293826.db2.gz LEGSHJJFLJTJAM-PJXYFTJBSA-N 1 1 319.365 -1.072 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1)N1CCOCC1 ZINC000958808631 664293828 /nfs/dbraw/zinc/29/38/28/664293828.db2.gz LEGSHJJFLJTJAM-PJXYFTJBSA-N 1 1 319.365 -1.072 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]1 ZINC000958816059 664293963 /nfs/dbraw/zinc/29/39/63/664293963.db2.gz GSUJQAMENKDNOY-MPXOCVNLSA-N 1 1 304.354 -1.409 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC000958816059 664293965 /nfs/dbraw/zinc/29/39/65/664293965.db2.gz GSUJQAMENKDNOY-MPXOCVNLSA-N 1 1 304.354 -1.409 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n[nH]1 ZINC000958816059 664293973 /nfs/dbraw/zinc/29/39/73/664293973.db2.gz GSUJQAMENKDNOY-MPXOCVNLSA-N 1 1 304.354 -1.409 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958850794 664296054 /nfs/dbraw/zinc/29/60/54/664296054.db2.gz PJXZTXDWINGCAX-USWWRNFRSA-N 1 1 322.369 -1.600 20 0 DAADMO CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958852080 664296207 /nfs/dbraw/zinc/29/62/07/664296207.db2.gz WWIUVMUOBNHJGX-RYUDHWBXSA-N 1 1 322.369 -1.456 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958851107 664296273 /nfs/dbraw/zinc/29/62/73/664296273.db2.gz CMQMWXKJNVPHDA-UWVGGRQHSA-N 1 1 309.326 -2.293 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958849923 664296290 /nfs/dbraw/zinc/29/62/90/664296290.db2.gz IUOBKZDKBHZJHM-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958922418 664301176 /nfs/dbraw/zinc/30/11/76/664301176.db2.gz RNSHQYYELPBWAX-DCAQKATOSA-N 1 1 322.369 -1.600 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958932511 664302055 /nfs/dbraw/zinc/30/20/55/664302055.db2.gz PUCLPOQERYBYOK-SRVKXCTJSA-N 1 1 323.353 -1.193 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958932894 664302086 /nfs/dbraw/zinc/30/20/86/664302086.db2.gz BDKHSCQWJKOSPI-DLOVCJGASA-N 1 1 323.353 -1.335 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958932895 664302308 /nfs/dbraw/zinc/30/23/08/664302308.db2.gz BDKHSCQWJKOSPI-USWWRNFRSA-N 1 1 323.353 -1.335 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC000958944612 664304289 /nfs/dbraw/zinc/30/42/89/664304289.db2.gz VIFXWNGPSAMATH-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC000959842946 664311499 /nfs/dbraw/zinc/31/14/99/664311499.db2.gz ARTNMHJPUYKHII-UXCLJVHYSA-N 1 1 322.369 -1.542 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC000959842946 664311501 /nfs/dbraw/zinc/31/15/01/664311501.db2.gz ARTNMHJPUYKHII-UXCLJVHYSA-N 1 1 322.369 -1.542 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000959876520 664312569 /nfs/dbraw/zinc/31/25/69/664312569.db2.gz PRSOAPGDBKYMMN-WUWHUORYSA-N 1 1 319.365 -1.199 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CCOC)nn1 ZINC000959878281 664312583 /nfs/dbraw/zinc/31/25/83/664312583.db2.gz KFAYVVKNPKRQAQ-IWIIMEHWSA-N 1 1 322.369 -1.670 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CCOC)nn1 ZINC000959878281 664312585 /nfs/dbraw/zinc/31/25/85/664312585.db2.gz KFAYVVKNPKRQAQ-IWIIMEHWSA-N 1 1 322.369 -1.670 20 0 DAADMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)on1 ZINC000959899428 664313085 /nfs/dbraw/zinc/31/30/85/664313085.db2.gz HQMSUOGNRLBKHB-IWIIMEHWSA-N 1 1 319.325 -1.084 20 0 DAADMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)on1 ZINC000959899428 664313086 /nfs/dbraw/zinc/31/30/86/664313086.db2.gz HQMSUOGNRLBKHB-IWIIMEHWSA-N 1 1 319.325 -1.084 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959902750 664313152 /nfs/dbraw/zinc/31/31/52/664313152.db2.gz RNGRGSYMKAVOKJ-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959902037 664313211 /nfs/dbraw/zinc/31/32/11/664313211.db2.gz PFKFKNYTCWYHGG-UXCLJVHYSA-N 1 1 307.358 -1.804 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)C1=O ZINC000959900101 664313331 /nfs/dbraw/zinc/31/33/31/664313331.db2.gz KMOLGMIPAXEIDT-KLBPJQLPSA-N 1 1 305.342 -2.050 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)n1 ZINC000959909847 664313685 /nfs/dbraw/zinc/31/36/85/664313685.db2.gz GNJRQFFRAUXJSD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)n1 ZINC000959909847 664313688 /nfs/dbraw/zinc/31/36/88/664313688.db2.gz GNJRQFFRAUXJSD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000959976700 664314119 /nfs/dbraw/zinc/31/41/19/664314119.db2.gz WKRRNHQEYUKXJP-IMSYWVGJSA-N 1 1 321.385 -1.038 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000959976700 664314122 /nfs/dbraw/zinc/31/41/22/664314122.db2.gz WKRRNHQEYUKXJP-IMSYWVGJSA-N 1 1 321.385 -1.038 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC000960006432 664314421 /nfs/dbraw/zinc/31/44/21/664314421.db2.gz IATKZNQSJVWWMV-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1)C1CC1 ZINC000960106544 664315020 /nfs/dbraw/zinc/31/50/20/664315020.db2.gz SOSRPKMIFZJAKY-JYAVWHMHSA-N 1 1 318.381 -1.055 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000960076185 664315303 /nfs/dbraw/zinc/31/53/03/664315303.db2.gz YLIWSZBVRMBYCP-WOFXILAISA-N 1 1 321.385 -1.498 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC000960076185 664315308 /nfs/dbraw/zinc/31/53/08/664315308.db2.gz YLIWSZBVRMBYCP-WOFXILAISA-N 1 1 321.385 -1.498 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC000960114191 664315511 /nfs/dbraw/zinc/31/55/11/664315511.db2.gz JYRJVRGHUOPISE-WDEREUQCSA-N 1 1 321.385 -1.033 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000960113212 664315675 /nfs/dbraw/zinc/31/56/75/664315675.db2.gz OIZQWKJQZQSAOR-PJXYFTJBSA-N 1 1 319.369 -1.650 20 0 DAADMO NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc2n1CCOC2 ZINC000960106868 664315683 /nfs/dbraw/zinc/31/56/83/664315683.db2.gz CIUNCFPSRUKVHQ-JTQLQIEISA-N 1 1 322.369 -1.236 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960118584 664315817 /nfs/dbraw/zinc/31/58/17/664315817.db2.gz ZGOXDQIEEXNQBS-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1=O ZINC000960161580 664316742 /nfs/dbraw/zinc/31/67/42/664316742.db2.gz CQYMVLKKGMGQPA-PQFRYHKHSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1=O ZINC000960161580 664316745 /nfs/dbraw/zinc/31/67/45/664316745.db2.gz CQYMVLKKGMGQPA-PQFRYHKHSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1=O ZINC000960167652 664316812 /nfs/dbraw/zinc/31/68/12/664316812.db2.gz PQHAGJCVUOKCCH-FJJYHAOUSA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC000960171599 664317026 /nfs/dbraw/zinc/31/70/26/664317026.db2.gz ZKIQFJZTPDHAFS-SKNMHBRKSA-N 1 1 308.338 -1.944 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC000960171599 664317027 /nfs/dbraw/zinc/31/70/27/664317027.db2.gz ZKIQFJZTPDHAFS-SKNMHBRKSA-N 1 1 308.338 -1.944 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000960180045 664317205 /nfs/dbraw/zinc/31/72/05/664317205.db2.gz GKLFJNCQXVGSMM-IAZYJMLFSA-N 1 1 303.384 -1.939 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960200388 664317577 /nfs/dbraw/zinc/31/75/77/664317577.db2.gz KSKXYUBWOGTEMD-LITAXDCLSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960200388 664317580 /nfs/dbraw/zinc/31/75/80/664317580.db2.gz KSKXYUBWOGTEMD-LITAXDCLSA-N 1 1 315.337 -1.113 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000960253175 664317777 /nfs/dbraw/zinc/31/77/77/664317777.db2.gz CGPKSPOGMHXZSF-FJJYHAOUSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC000960248839 664318065 /nfs/dbraw/zinc/31/80/65/664318065.db2.gz RZGIDPWDVVVNHW-OZWUEAAUSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)NC1 ZINC000960248839 664318068 /nfs/dbraw/zinc/31/80/68/664318068.db2.gz RZGIDPWDVVVNHW-OZWUEAAUSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307645 664318422 /nfs/dbraw/zinc/31/84/22/664318422.db2.gz NFTWMNWDYIBRSE-MSRIBSCDSA-N 1 1 310.354 -2.362 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307645 664318420 /nfs/dbraw/zinc/31/84/20/664318420.db2.gz NFTWMNWDYIBRSE-MSRIBSCDSA-N 1 1 310.354 -2.362 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc2n(n1)CCO2 ZINC000960294343 664318429 /nfs/dbraw/zinc/31/84/29/664318429.db2.gz BJXMAHFGFVNQLP-PFWNZEGQSA-N 1 1 317.349 -1.176 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307872 664318484 /nfs/dbraw/zinc/31/84/84/664318484.db2.gz NRJAFODPQVVMLB-QISWUMQESA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960307872 664318489 /nfs/dbraw/zinc/31/84/89/664318489.db2.gz NRJAFODPQVVMLB-QISWUMQESA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 ZINC000960302794 664318581 /nfs/dbraw/zinc/31/85/81/664318581.db2.gz FHARNNSCZKQTTM-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 ZINC000960302794 664318585 /nfs/dbraw/zinc/31/85/85/664318585.db2.gz FHARNNSCZKQTTM-IWIIMEHWSA-N 1 1 300.322 -1.125 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298196 664318740 /nfs/dbraw/zinc/31/87/40/664318740.db2.gz SMUXPQLTFYOONS-GDGBQDQQSA-N 1 1 315.337 -1.241 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298196 664318744 /nfs/dbraw/zinc/31/87/44/664318744.db2.gz SMUXPQLTFYOONS-GDGBQDQQSA-N 1 1 315.337 -1.241 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298192 664318758 /nfs/dbraw/zinc/31/87/58/664318758.db2.gz SMRPTAYXYVYHDP-CNABLZDZSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n[nH]nc2c1 ZINC000960298192 664318761 /nfs/dbraw/zinc/31/87/61/664318761.db2.gz SMRPTAYXYVYHDP-CNABLZDZSA-N 1 1 315.337 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960373703 664319616 /nfs/dbraw/zinc/31/96/16/664319616.db2.gz LDSVSXWEIWQQHF-WOFXILAISA-N 1 1 305.338 -1.441 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960373703 664319619 /nfs/dbraw/zinc/31/96/19/664319619.db2.gz LDSVSXWEIWQQHF-WOFXILAISA-N 1 1 305.338 -1.441 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCNC1=O)N1CCC1 ZINC000960380721 664319649 /nfs/dbraw/zinc/31/96/49/664319649.db2.gz GLJASSRQBRHFFT-NMKXLXIOSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC000960438014 664320221 /nfs/dbraw/zinc/32/02/21/664320221.db2.gz FLFFTJMHRAXYPQ-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCN(C)C1=O ZINC000960438014 664320223 /nfs/dbraw/zinc/32/02/23/664320223.db2.gz FLFFTJMHRAXYPQ-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c(=O)c1 ZINC000960414355 664320232 /nfs/dbraw/zinc/32/02/32/664320232.db2.gz SSBADLPMALDSLQ-IWIIMEHWSA-N 1 1 305.338 -1.070 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960466614 664320817 /nfs/dbraw/zinc/32/08/17/664320817.db2.gz WJVURMRBIIZGMP-IWIIMEHWSA-N 1 1 307.354 -1.325 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960466614 664320820 /nfs/dbraw/zinc/32/08/20/664320820.db2.gz WJVURMRBIIZGMP-IWIIMEHWSA-N 1 1 307.354 -1.325 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cnc[nH]c1=O ZINC000960480593 664320857 /nfs/dbraw/zinc/32/08/57/664320857.db2.gz RMCGXSXKVWXQEC-YTWAJWBKSA-N 1 1 303.322 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC000960471004 664320883 /nfs/dbraw/zinc/32/08/83/664320883.db2.gz HWSONPHXBRRUSV-IAZYJMLFSA-N 1 1 305.338 -1.070 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cncc2C1 ZINC000960632699 664321939 /nfs/dbraw/zinc/32/19/39/664321939.db2.gz UUWPAGJWNMOEGE-PQFRYHKHSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cncc2C1 ZINC000960632699 664321942 /nfs/dbraw/zinc/32/19/42/664321942.db2.gz UUWPAGJWNMOEGE-PQFRYHKHSA-N 1 1 303.366 -1.023 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000960629330 664322030 /nfs/dbraw/zinc/32/20/30/664322030.db2.gz MLBOBUNOOLLLQF-KZVDOYCCSA-N 1 1 316.361 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000960591031 664322044 /nfs/dbraw/zinc/32/20/44/664322044.db2.gz DALCZTUGPBOQLZ-MVVXRAEJSA-N 1 1 304.350 -1.081 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960651200 664322214 /nfs/dbraw/zinc/32/22/14/664322214.db2.gz SYSQBTORRLUUQM-MEWQQHAOSA-N 1 1 309.370 -1.337 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1ncnn1)[C@H]1CCNC1=O ZINC000960652369 664322296 /nfs/dbraw/zinc/32/22/96/664322296.db2.gz GCXMRSIDJPDTKR-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCC2N=NC(=O)N2C1 ZINC000960654738 664322955 /nfs/dbraw/zinc/32/29/55/664322955.db2.gz LTUFEMOIDYEWRY-SVDPJWKOSA-N 1 1 307.354 -1.415 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960658831 664322976 /nfs/dbraw/zinc/32/29/76/664322976.db2.gz PAUNALQDHODPRA-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC000960700500 664323284 /nfs/dbraw/zinc/32/32/84/664323284.db2.gz SPKBOUWVAKNMSL-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC000960700500 664323281 /nfs/dbraw/zinc/32/32/81/664323281.db2.gz SPKBOUWVAKNMSL-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC000960700504 664323364 /nfs/dbraw/zinc/32/33/64/664323364.db2.gz SPKBOUWVAKNMSL-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC000960700504 664323366 /nfs/dbraw/zinc/32/33/66/664323366.db2.gz SPKBOUWVAKNMSL-KZVDOYCCSA-N 1 1 310.398 -1.501 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000960690297 664323496 /nfs/dbraw/zinc/32/34/96/664323496.db2.gz GGZZCDDWAXVLRO-COMQUAJESA-N 1 1 324.425 -1.158 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC000960729539 664323880 /nfs/dbraw/zinc/32/38/80/664323880.db2.gz LNHSSVRQXKVMDP-CIQGVGRVSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000960752396 664324209 /nfs/dbraw/zinc/32/42/09/664324209.db2.gz RJJYNISBILSENX-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000960752398 664324282 /nfs/dbraw/zinc/32/42/82/664324282.db2.gz RJJYNISBILSENX-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960779733 664324453 /nfs/dbraw/zinc/32/44/53/664324453.db2.gz ZYDPPSVYJYGRQG-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000960797480 664324790 /nfs/dbraw/zinc/32/47/90/664324790.db2.gz AVKVEROAJUAAHK-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC000960797476 664324957 /nfs/dbraw/zinc/32/49/57/664324957.db2.gz AVKVEROAJUAAHK-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960827599 664325352 /nfs/dbraw/zinc/32/53/52/664325352.db2.gz MYXVKYLBMNWJTP-GDGBQDQQSA-N 1 1 305.338 -1.731 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960827599 664325353 /nfs/dbraw/zinc/32/53/53/664325353.db2.gz MYXVKYLBMNWJTP-GDGBQDQQSA-N 1 1 305.338 -1.731 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000960844199 664326023 /nfs/dbraw/zinc/32/60/23/664326023.db2.gz JNRSOFVDTNJBNY-MPXOCVNLSA-N 1 1 317.349 -1.115 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960860397 664326498 /nfs/dbraw/zinc/32/64/98/664326498.db2.gz KTRDHMUPEASVAY-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960874368 664327646 /nfs/dbraw/zinc/32/76/46/664327646.db2.gz SNBQQILQRUVTTP-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CCn1cnnn1)[C@@H]1CCNC1=O ZINC000960936499 664328111 /nfs/dbraw/zinc/32/81/11/664328111.db2.gz CMFRSVHUCXAFOP-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000960945020 664328149 /nfs/dbraw/zinc/32/81/49/664328149.db2.gz DTWCZPPJSJJOPM-KIGUWFBYSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000960945020 664328152 /nfs/dbraw/zinc/32/81/52/664328152.db2.gz DTWCZPPJSJJOPM-KIGUWFBYSA-N 1 1 308.382 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000960896620 664328186 /nfs/dbraw/zinc/32/81/86/664328186.db2.gz HTBZZWIIJHFUOO-NNYUYHANSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000960896620 664328189 /nfs/dbraw/zinc/32/81/89/664328189.db2.gz HTBZZWIIJHFUOO-NNYUYHANSA-N 1 1 302.396 -1.150 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000960901480 664328278 /nfs/dbraw/zinc/32/82/78/664328278.db2.gz RAXJBGFUQYKSDJ-UXCLJVHYSA-N 1 1 309.370 -1.691 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000960901480 664328280 /nfs/dbraw/zinc/32/82/80/664328280.db2.gz RAXJBGFUQYKSDJ-UXCLJVHYSA-N 1 1 309.370 -1.691 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CCn1cnnn1)[C@H]1CCNC1=O ZINC000960936488 664328331 /nfs/dbraw/zinc/32/83/31/664328331.db2.gz CMFRSVHUCXAFOP-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960965156 664328703 /nfs/dbraw/zinc/32/87/03/664328703.db2.gz ULGPPZSYNMPPSC-JZYVYDRUSA-N 1 1 315.337 -1.241 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960965156 664328707 /nfs/dbraw/zinc/32/87/07/664328707.db2.gz ULGPPZSYNMPPSC-JZYVYDRUSA-N 1 1 315.337 -1.241 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)o1 ZINC000960955656 664328799 /nfs/dbraw/zinc/32/87/99/664328799.db2.gz XFPAYBUHXJHNNC-KIKITERTSA-N 1 1 318.333 -1.073 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000961044509 664329544 /nfs/dbraw/zinc/32/95/44/664329544.db2.gz NPECDVBKCVSJHX-AQCKVWFBSA-N 1 1 323.393 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961065668 664330211 /nfs/dbraw/zinc/33/02/11/664330211.db2.gz WWRCIKOPLFTXAK-QAHWYCSRSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961065668 664330213 /nfs/dbraw/zinc/33/02/13/664330213.db2.gz WWRCIKOPLFTXAK-QAHWYCSRSA-N 1 1 315.337 -1.342 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000961161281 664334234 /nfs/dbraw/zinc/33/42/34/664334234.db2.gz YHSHQXVRQVROOL-RYUDHWBXSA-N 1 1 321.385 -1.281 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961195127 664334564 /nfs/dbraw/zinc/33/45/64/664334564.db2.gz KDZOXLZGRHCYGZ-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)C1 ZINC000961217751 664335160 /nfs/dbraw/zinc/33/51/60/664335160.db2.gz VWVXMLDHJVVZLY-NTZNESFSSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccco3)[C@@H](O)C2)C1 ZINC000961217751 664335162 /nfs/dbraw/zinc/33/51/62/664335162.db2.gz VWVXMLDHJVVZLY-NTZNESFSSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961220409 664335378 /nfs/dbraw/zinc/33/53/78/664335378.db2.gz LEXNZNZYDYOGMD-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961265336 664336354 /nfs/dbraw/zinc/33/63/54/664336354.db2.gz MXBTUGTXRQZXLI-XBWDGYHZSA-N 1 1 305.338 -1.686 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)ncc1=O ZINC000961263466 664336415 /nfs/dbraw/zinc/33/64/15/664336415.db2.gz JGWSWZGHFMBXFV-PFWNZEGQSA-N 1 1 317.349 -1.671 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961268934 664336421 /nfs/dbraw/zinc/33/64/21/664336421.db2.gz RBRIJYSSDMZAIJ-MSRIBSCDSA-N 1 1 319.365 -1.472 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CNC(=O)C1 ZINC000961309901 664336886 /nfs/dbraw/zinc/33/68/86/664336886.db2.gz DIVLLLXBNKEXBH-CIGZNWKYSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CNC(=O)C1 ZINC000961309901 664336889 /nfs/dbraw/zinc/33/68/89/664336889.db2.gz DIVLLLXBNKEXBH-CIGZNWKYSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CNC(=O)C1 ZINC000961310630 664336923 /nfs/dbraw/zinc/33/69/23/664336923.db2.gz GIPYAJFOFMLBFW-CIGZNWKYSA-N 1 1 320.393 -1.209 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC000961313743 664336959 /nfs/dbraw/zinc/33/69/59/664336959.db2.gz OGNXOGAUXJTKRY-MVVXRAEJSA-N 1 1 306.370 -1.239 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)nn1 ZINC000961313743 664336962 /nfs/dbraw/zinc/33/69/62/664336962.db2.gz OGNXOGAUXJTKRY-MVVXRAEJSA-N 1 1 306.370 -1.239 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000961317766 664336996 /nfs/dbraw/zinc/33/69/96/664336996.db2.gz AEDDLHMAPZSRMW-QCBRBAQYSA-N 1 1 301.368 -2.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CNC(=O)C1 ZINC000961309904 664337147 /nfs/dbraw/zinc/33/71/47/664337147.db2.gz DIVLLLXBNKEXBH-PSHZPRKYSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CNC(=O)C1 ZINC000961309904 664337149 /nfs/dbraw/zinc/33/71/49/664337149.db2.gz DIVLLLXBNKEXBH-PSHZPRKYSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1Cc2cncn2C(=O)N1 ZINC000961312916 664337182 /nfs/dbraw/zinc/33/71/82/664337182.db2.gz NNVWUSITXRHSEC-WHOHXGKFSA-N 1 1 305.338 -1.596 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961343827 664337328 /nfs/dbraw/zinc/33/73/28/664337328.db2.gz SVYJMANZIUDBEG-WGNDUZGJSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C(N)=O)c1 ZINC000961343827 664337333 /nfs/dbraw/zinc/33/73/33/664337333.db2.gz SVYJMANZIUDBEG-WGNDUZGJSA-N 1 1 306.322 -1.088 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H]3[C@H]4C[N@@H+](CCO)C[C@H]43)cc2c(=O)[nH]1 ZINC000961353091 664337460 /nfs/dbraw/zinc/33/74/60/664337460.db2.gz BCXXBAMSEQTIKO-IWIIMEHWSA-N 1 1 317.349 -1.017 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000961328268 664337628 /nfs/dbraw/zinc/33/76/28/664337628.db2.gz IYHYNRLPWYBLGJ-QCBRBAQYSA-N 1 1 317.367 -3.062 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000961328268 664337632 /nfs/dbraw/zinc/33/76/32/664337632.db2.gz IYHYNRLPWYBLGJ-QCBRBAQYSA-N 1 1 317.367 -3.062 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)N(C(C)=O)C1 ZINC000961364140 664337901 /nfs/dbraw/zinc/33/79/01/664337901.db2.gz YHIIYGGCWGYFJW-YCGPCKTQSA-N 1 1 324.381 -1.846 20 0 DAADMO CO[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)N(C(C)=O)C1 ZINC000961364140 664337903 /nfs/dbraw/zinc/33/79/03/664337903.db2.gz YHIIYGGCWGYFJW-YCGPCKTQSA-N 1 1 324.381 -1.846 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1COCCN1CC(F)F ZINC000961377927 664337995 /nfs/dbraw/zinc/33/79/95/664337995.db2.gz XZECVBPHLKDTMG-SRRSOLGSSA-N 1 1 319.352 -1.009 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)co1 ZINC000961380343 664338010 /nfs/dbraw/zinc/33/80/10/664338010.db2.gz KKEZNKOPJZBORV-MIZYBKAJSA-N 1 1 318.333 -1.073 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1ccc(-n2cnnn2)cn1 ZINC000961357788 664338089 /nfs/dbraw/zinc/33/80/89/664338089.db2.gz LGDNUDALXSXTPI-PJXYFTJBSA-N 1 1 315.337 -1.290 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)co1 ZINC000961380342 664338326 /nfs/dbraw/zinc/33/83/26/664338326.db2.gz KKEZNKOPJZBORV-KLBPJQLPSA-N 1 1 318.333 -1.073 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC000961444493 664340595 /nfs/dbraw/zinc/34/05/95/664340595.db2.gz CGWLTQKSSPEBSW-OZWUEAAUSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC000961444493 664340597 /nfs/dbraw/zinc/34/05/97/664340597.db2.gz CGWLTQKSSPEBSW-OZWUEAAUSA-N 1 1 308.382 -1.210 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961451563 664341566 /nfs/dbraw/zinc/34/15/66/664341566.db2.gz RFOYNZDBCUWAMM-DMWPJOQESA-N 1 1 319.365 -1.023 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC000961454768 664341774 /nfs/dbraw/zinc/34/17/74/664341774.db2.gz QXICGHWZYXNSKY-NMKXLXIOSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC000961462669 664342202 /nfs/dbraw/zinc/34/22/02/664342202.db2.gz CFWSSXDCPYGZHI-REIXXSIJSA-N 1 1 307.354 -1.080 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961463282 664342315 /nfs/dbraw/zinc/34/23/15/664342315.db2.gz AEJWQRRLKPDBGC-UUIJZJDISA-N 1 1 310.398 -1.501 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)NC1=O ZINC000961462583 664342327 /nfs/dbraw/zinc/34/23/27/664342327.db2.gz CBDGGMLAGLEMFU-SRRSOLGSSA-N 1 1 321.381 -1.711 20 0 DAADMO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c[nH]c1=O ZINC000961475342 664342693 /nfs/dbraw/zinc/34/26/93/664342693.db2.gz CDRWXNMSNGSKKJ-LOKLDPHHSA-N 1 1 305.338 -1.326 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)cn1 ZINC000961468044 664342723 /nfs/dbraw/zinc/34/27/23/664342723.db2.gz CRWXACDDZAXAAA-RTXFEEFZSA-N 1 1 321.381 -1.327 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961470106 664342840 /nfs/dbraw/zinc/34/28/40/664342840.db2.gz LOCUPECAAUYTSF-CYRTVHNOSA-N 1 1 320.393 -1.353 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961470106 664342842 /nfs/dbraw/zinc/34/28/42/664342842.db2.gz LOCUPECAAUYTSF-CYRTVHNOSA-N 1 1 320.393 -1.353 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961482323 664343291 /nfs/dbraw/zinc/34/32/91/664343291.db2.gz USDVOJHYASHKNU-BBGACYKPSA-N 1 1 321.381 -2.647 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)n1 ZINC000961496887 664343909 /nfs/dbraw/zinc/34/39/09/664343909.db2.gz IOLRARSRPHRWRA-MYJAWHEDSA-N 1 1 320.357 -2.105 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000961495753 664343919 /nfs/dbraw/zinc/34/39/19/664343919.db2.gz CMLKMEBZLXEHBC-RGOKHQFPSA-N 1 1 305.342 -1.899 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961509708 664345052 /nfs/dbraw/zinc/34/50/52/664345052.db2.gz ZBZNJPWWGLAYMM-URLYPYJESA-N 1 1 317.357 -1.318 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961509708 664345054 /nfs/dbraw/zinc/34/50/54/664345054.db2.gz ZBZNJPWWGLAYMM-URLYPYJESA-N 1 1 317.357 -1.318 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961523384 664345082 /nfs/dbraw/zinc/34/50/82/664345082.db2.gz LOCUPECAAUYTSF-QHUBEEEXSA-N 1 1 320.393 -1.353 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000961523384 664345086 /nfs/dbraw/zinc/34/50/86/664345086.db2.gz LOCUPECAAUYTSF-QHUBEEEXSA-N 1 1 320.393 -1.353 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)CN3CCCC3=O)C2)n1 ZINC000961532468 664345301 /nfs/dbraw/zinc/34/53/01/664345301.db2.gz HOPLONOYOGBWBG-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1=O ZINC000961538436 664345336 /nfs/dbraw/zinc/34/53/36/664345336.db2.gz JCEVMNIYLYOSIT-WUHRBBMRSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1=O ZINC000961538436 664345339 /nfs/dbraw/zinc/34/53/39/664345339.db2.gz JCEVMNIYLYOSIT-WUHRBBMRSA-N 1 1 318.381 -1.160 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1=O ZINC000961536369 664345423 /nfs/dbraw/zinc/34/54/23/664345423.db2.gz GDQDNLYXJADDFC-CIQGVGRVSA-N 1 1 320.393 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC000961541467 664345799 /nfs/dbraw/zinc/34/57/99/664345799.db2.gz OXLMQVUKIRZINO-MEWQQHAOSA-N 1 1 308.382 -1.401 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000961558400 664346594 /nfs/dbraw/zinc/34/65/94/664346594.db2.gz LMWFPVGLUPZSIM-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000961558400 664346597 /nfs/dbraw/zinc/34/65/97/664346597.db2.gz LMWFPVGLUPZSIM-VWFLFCASSA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961550754 664346688 /nfs/dbraw/zinc/34/66/88/664346688.db2.gz KYUZNNRXNCDJFR-ARDSDWSFSA-N 1 1 320.393 -1.050 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCO)C[C@H]31)CC2 ZINC000961611543 664347564 /nfs/dbraw/zinc/34/75/64/664347564.db2.gz WAXYPFUZENYMHN-PUHVVEEASA-N 1 1 305.382 -1.041 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000961609586 664347901 /nfs/dbraw/zinc/34/79/01/664347901.db2.gz AOWKIPDMAGCICC-XBWDGYHZSA-N 1 1 304.354 -1.244 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000961609586 664347903 /nfs/dbraw/zinc/34/79/03/664347903.db2.gz AOWKIPDMAGCICC-XBWDGYHZSA-N 1 1 304.354 -1.244 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961627280 664348310 /nfs/dbraw/zinc/34/83/10/664348310.db2.gz IWAFXDDBOVLDQH-ZRUFSTJUSA-N 1 1 305.342 -1.957 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961627280 664348316 /nfs/dbraw/zinc/34/83/16/664348316.db2.gz IWAFXDDBOVLDQH-ZRUFSTJUSA-N 1 1 305.342 -1.957 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC000961628854 664348849 /nfs/dbraw/zinc/34/88/49/664348849.db2.gz MZVZFCYTYSXQFV-QNWHQSFQSA-N 1 1 318.381 -1.310 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635365 664349270 /nfs/dbraw/zinc/34/92/70/664349270.db2.gz FSSVPALXPBRWMZ-DCQANWLSSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC000961633506 664349504 /nfs/dbraw/zinc/34/95/04/664349504.db2.gz YYLMIARWUNCATM-KLBPJQLPSA-N 1 1 307.354 -2.054 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC000961646419 664350514 /nfs/dbraw/zinc/35/05/14/664350514.db2.gz HUNFRRDFCWYXHD-UKKRHICBSA-N 1 1 315.395 -1.657 20 0 DAADMO CC(C)(C)n1nnc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961657711 664351065 /nfs/dbraw/zinc/35/10/65/664351065.db2.gz LPARXXLUHOSVDW-JZYVYDRUSA-N 1 1 321.385 -1.498 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000961662607 664351574 /nfs/dbraw/zinc/35/15/74/664351574.db2.gz WKEDFIRVRAUPNG-KXNHARMFSA-N 1 1 306.366 -1.329 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC000961684974 664352345 /nfs/dbraw/zinc/35/23/45/664352345.db2.gz GDRZUDGQKNCLLN-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC000961686499 664352414 /nfs/dbraw/zinc/35/24/14/664352414.db2.gz PQZBRZZJQDAWJH-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961684937 664352561 /nfs/dbraw/zinc/35/25/61/664352561.db2.gz FPIJMJIRWTYNKA-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC000961704338 664353571 /nfs/dbraw/zinc/35/35/71/664353571.db2.gz VNABBGJKHCGRPI-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CCC(=O)N1 ZINC000961715649 664353593 /nfs/dbraw/zinc/35/35/93/664353593.db2.gz YZMBZUWLFITPNL-MDHDOXDCSA-N 1 1 318.381 -1.007 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC000961701836 664353646 /nfs/dbraw/zinc/35/36/46/664353646.db2.gz PFAVXTWRBMBKKM-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CCC(=O)N1 ZINC000961709028 664353737 /nfs/dbraw/zinc/35/37/37/664353737.db2.gz KTVVLEIOJLQGTI-CIGZNWKYSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CCC(=O)N1 ZINC000961709028 664353740 /nfs/dbraw/zinc/35/37/40/664353740.db2.gz KTVVLEIOJLQGTI-CIGZNWKYSA-N 1 1 320.393 -1.020 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3COCCN3C)C2)n1 ZINC000961740917 664354602 /nfs/dbraw/zinc/35/46/02/664354602.db2.gz LPPNRIAMPJDLDL-MCIGGMRASA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3cnn(C)c3N)C2)n1 ZINC000961747692 664355282 /nfs/dbraw/zinc/35/52/82/664355282.db2.gz KVYSSDHQGLXJRH-UHFFFAOYSA-N 1 1 319.373 -1.176 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC000961749657 664355545 /nfs/dbraw/zinc/35/55/45/664355545.db2.gz LQLDWNPSJZQBNN-GOMXZESMSA-N 1 1 308.382 -1.353 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1)C1CCC1 ZINC000961786882 664356294 /nfs/dbraw/zinc/35/62/94/664356294.db2.gz UHDXOHZZWMKDQL-PHIMTYICSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961780985 664356342 /nfs/dbraw/zinc/35/63/42/664356342.db2.gz PAHUJOMKSGUFQK-APOZVJGGSA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961778865 664356533 /nfs/dbraw/zinc/35/65/33/664356533.db2.gz HHUIBUVPHXTDKJ-WOFXILAISA-N 1 1 319.365 -1.138 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC000961789709 664356550 /nfs/dbraw/zinc/35/65/50/664356550.db2.gz HSLNPGRWMBYQGA-AMDVSUOASA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1cnc(C(=O)NC2CC(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC000961809817 664357473 /nfs/dbraw/zinc/35/74/73/664357473.db2.gz GQWIAOYEQIEWRR-UHFFFAOYSA-N 1 1 305.346 -1.363 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC000961833141 664358006 /nfs/dbraw/zinc/35/80/06/664358006.db2.gz KBOGXQRITNJPHG-XQQFMLRXSA-N 1 1 322.365 -1.084 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ncc1C(N)=O ZINC000961844157 664358497 /nfs/dbraw/zinc/35/84/97/664358497.db2.gz FFPFCJPACJEPFW-IWIIMEHWSA-N 1 1 317.349 -1.366 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ncc1C(N)=O ZINC000961844157 664358501 /nfs/dbraw/zinc/35/85/01/664358501.db2.gz FFPFCJPACJEPFW-IWIIMEHWSA-N 1 1 317.349 -1.366 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCc2nnnn2CC1 ZINC000961846740 664358603 /nfs/dbraw/zinc/35/86/03/664358603.db2.gz NRLSUAPHMKAJCZ-DCQANWLSSA-N 1 1 306.370 -1.336 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000961837565 664358615 /nfs/dbraw/zinc/35/86/15/664358615.db2.gz HLNAQEMLENWWCF-RTXFEEFZSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000961883341 664359802 /nfs/dbraw/zinc/35/98/02/664359802.db2.gz GZLVQTPTUXPFMA-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1O ZINC000961924255 664361311 /nfs/dbraw/zinc/36/13/11/664361311.db2.gz WHNOIPOPPKIOEO-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000961924255 664361313 /nfs/dbraw/zinc/36/13/13/664361313.db2.gz WHNOIPOPPKIOEO-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC000961924255 664361316 /nfs/dbraw/zinc/36/13/16/664361316.db2.gz WHNOIPOPPKIOEO-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000961924192 664361548 /nfs/dbraw/zinc/36/15/48/664361548.db2.gz UNPHNDBNOQXOGZ-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1O ZINC000961924191 664361691 /nfs/dbraw/zinc/36/16/91/664361691.db2.gz UNPHNDBNOQXOGZ-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1O ZINC000961934027 664362302 /nfs/dbraw/zinc/36/23/02/664362302.db2.gz ZOEXCEFSUNXTQI-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961929186 664362349 /nfs/dbraw/zinc/36/23/49/664362349.db2.gz WBJREHSAEHWGHU-WOPDTQHZSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1O ZINC000961928882 664362378 /nfs/dbraw/zinc/36/23/78/664362378.db2.gz VEGXHUONJFTRES-MXWKQRLJSA-N 1 1 324.381 -1.966 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)c(=O)n(C)c1=O ZINC000961936355 664362483 /nfs/dbraw/zinc/36/24/83/664362483.db2.gz ZVXCRHIZNSYTBM-JZYVYDRUSA-N 1 1 310.329 -1.287 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)c(=O)n(C)c1=O ZINC000961936355 664362487 /nfs/dbraw/zinc/36/24/87/664362487.db2.gz ZVXCRHIZNSYTBM-JZYVYDRUSA-N 1 1 310.329 -1.287 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961929191 664362581 /nfs/dbraw/zinc/36/25/81/664362581.db2.gz WLSVXLJKQCFHEX-FOGDFJRCSA-N 1 1 322.369 -1.789 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)c1 ZINC000961943025 664362819 /nfs/dbraw/zinc/36/28/19/664362819.db2.gz VHFYMKXYNWHWLM-HBYGRHMLSA-N 1 1 304.350 -1.312 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)c1 ZINC000961943025 664362821 /nfs/dbraw/zinc/36/28/21/664362821.db2.gz VHFYMKXYNWHWLM-HBYGRHMLSA-N 1 1 304.350 -1.312 20 0 DAADMO Cn1cncc1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961963982 664363279 /nfs/dbraw/zinc/36/32/79/664363279.db2.gz KHRBFYZCUNYWPN-WZRBSPASSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC000961970713 664363448 /nfs/dbraw/zinc/36/34/48/664363448.db2.gz WYYFUJMONOXWAE-VQXHTEKXSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2cccnn21 ZINC000961980960 664363554 /nfs/dbraw/zinc/36/35/54/664363554.db2.gz IVAYHKYBPRUAPT-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2cccnn21 ZINC000961980960 664363556 /nfs/dbraw/zinc/36/35/56/664363556.db2.gz IVAYHKYBPRUAPT-WOFXILAISA-N 1 1 300.322 -1.125 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O ZINC000961963889 664363605 /nfs/dbraw/zinc/36/36/05/664363605.db2.gz IRJSDKFALXGFIY-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O ZINC000961963890 664363672 /nfs/dbraw/zinc/36/36/72/664363672.db2.gz IRJSDKFALXGFIY-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961985219 664363991 /nfs/dbraw/zinc/36/39/91/664363991.db2.gz JAHNINKIIGVZJA-SVDPJWKOSA-N 1 1 321.385 -1.283 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961985219 664363997 /nfs/dbraw/zinc/36/39/97/664363997.db2.gz JAHNINKIIGVZJA-SVDPJWKOSA-N 1 1 321.385 -1.283 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000962020702 664364971 /nfs/dbraw/zinc/36/49/71/664364971.db2.gz MWGFEDFRWBUVMU-UUIJZJDISA-N 1 1 318.381 -1.007 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCCS1(=O)=O ZINC000962020191 664365234 /nfs/dbraw/zinc/36/52/34/664365234.db2.gz XGXYVONSDFXJHP-MPPDQPJWSA-N 1 1 302.396 -1.008 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCCS1(=O)=O ZINC000962020191 664365237 /nfs/dbraw/zinc/36/52/37/664365237.db2.gz XGXYVONSDFXJHP-MPPDQPJWSA-N 1 1 302.396 -1.008 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC000962014478 664365295 /nfs/dbraw/zinc/36/52/95/664365295.db2.gz ZDYSMGIYCHJGKD-YTWAJWBKSA-N 1 1 303.384 -1.941 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000962036613 664365679 /nfs/dbraw/zinc/36/56/79/664365679.db2.gz UEPDRBJCRMFRBN-PVTKRXDGSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000962043459 664366128 /nfs/dbraw/zinc/36/61/28/664366128.db2.gz MGBKGDWVNRZGII-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)n1 ZINC000962043459 664366133 /nfs/dbraw/zinc/36/61/33/664366133.db2.gz MGBKGDWVNRZGII-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C1CC(=O)NC(=O)C1 ZINC000962043485 664366156 /nfs/dbraw/zinc/36/61/56/664366156.db2.gz PRCQRQJTBNZUCP-MPXOCVNLSA-N 1 1 320.349 -2.026 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)n1 ZINC000962046404 664366224 /nfs/dbraw/zinc/36/62/24/664366224.db2.gz TWVRVPUMEITTPF-IAZYJMLFSA-N 1 1 319.369 -1.500 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962059131 664366757 /nfs/dbraw/zinc/36/67/57/664366757.db2.gz LHVLHTDBMYPBRV-QISWUMQESA-N 1 1 310.354 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000962053911 664366787 /nfs/dbraw/zinc/36/67/87/664366787.db2.gz FFRUOKUSGNDKJW-JFGNBEQYSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000962053911 664366789 /nfs/dbraw/zinc/36/67/89/664366789.db2.gz FFRUOKUSGNDKJW-JFGNBEQYSA-N 1 1 324.337 -1.693 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962047492 664366867 /nfs/dbraw/zinc/36/68/67/664366867.db2.gz OGBJWPXHMHAMGD-AGIUHOORSA-N 1 1 311.382 -1.029 20 0 DAADMO CC(C)=CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962047492 664366868 /nfs/dbraw/zinc/36/68/68/664366868.db2.gz OGBJWPXHMHAMGD-AGIUHOORSA-N 1 1 311.382 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)C1 ZINC000962049339 664366929 /nfs/dbraw/zinc/36/69/29/664366929.db2.gz YERSILIVSXGBRQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@@H]2O)C1 ZINC000962049339 664366931 /nfs/dbraw/zinc/36/69/31/664366931.db2.gz YERSILIVSXGBRQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962068485 664367318 /nfs/dbraw/zinc/36/73/18/664367318.db2.gz QLTGXOOGYYERPR-KIKITERTSA-N 1 1 321.337 -2.527 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962069958 664367338 /nfs/dbraw/zinc/36/73/38/664367338.db2.gz YKRUWUXJXCFWCC-QISWUMQESA-N 1 1 310.354 -1.381 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962071649 664367518 /nfs/dbraw/zinc/36/75/18/664367518.db2.gz DEOKTLAXRNFVJT-AXTSPUMRSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962071649 664367520 /nfs/dbraw/zinc/36/75/20/664367520.db2.gz DEOKTLAXRNFVJT-AXTSPUMRSA-N 1 1 315.337 -1.342 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962068469 664367536 /nfs/dbraw/zinc/36/75/36/664367536.db2.gz QIYSRWSXXBNBQG-APOZVJGGSA-N 1 1 323.353 -2.281 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1cnon1 ZINC000962096776 664367931 /nfs/dbraw/zinc/36/79/31/664367931.db2.gz AFSBHSKQOHIZMK-JZYVYDRUSA-N 1 1 306.326 -1.245 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962131575 664368302 /nfs/dbraw/zinc/36/83/02/664368302.db2.gz OYJDLABAGKJFII-GDGBQDQQSA-N 1 1 321.337 -1.730 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962131575 664368306 /nfs/dbraw/zinc/36/83/06/664368306.db2.gz OYJDLABAGKJFII-GDGBQDQQSA-N 1 1 321.337 -1.730 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962151162 664368610 /nfs/dbraw/zinc/36/86/10/664368610.db2.gz WAQNTAATZCTJGQ-PUXPGTEJSA-N 1 1 317.349 -1.196 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000962162812 664368826 /nfs/dbraw/zinc/36/88/26/664368826.db2.gz JNRPAOWTBOSCKK-DMWPJOQESA-N 1 1 304.354 -1.154 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000962157442 664368999 /nfs/dbraw/zinc/36/89/99/664368999.db2.gz VRXOQLQGYPBBMD-BXSSEVMYSA-N 1 1 319.365 -1.092 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962187903 664369323 /nfs/dbraw/zinc/36/93/23/664369323.db2.gz BVLUWUWPKHTLKR-IAZYJMLFSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CCN(C)C3=O)C2)n1 ZINC000962197829 664369763 /nfs/dbraw/zinc/36/97/63/664369763.db2.gz FVDQRBVCVDMEMC-VQXHTEKXSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216428 664369848 /nfs/dbraw/zinc/36/98/48/664369848.db2.gz GWFUYYOAOVPUCJ-APOZVJGGSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962216428 664369850 /nfs/dbraw/zinc/36/98/50/664369850.db2.gz GWFUYYOAOVPUCJ-APOZVJGGSA-N 1 1 323.353 -2.152 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000962232057 664370088 /nfs/dbraw/zinc/37/00/88/664370088.db2.gz QQQIHEGBALWWGK-DNJQJEMRSA-N 1 1 320.353 -1.615 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000962232057 664370090 /nfs/dbraw/zinc/37/00/90/664370090.db2.gz QQQIHEGBALWWGK-DNJQJEMRSA-N 1 1 320.353 -1.615 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962220698 664370232 /nfs/dbraw/zinc/37/02/32/664370232.db2.gz GKSISNGNRXMESA-MEWQQHAOSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962220698 664370236 /nfs/dbraw/zinc/37/02/36/664370236.db2.gz GKSISNGNRXMESA-MEWQQHAOSA-N 1 1 308.382 -1.081 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962236389 664370639 /nfs/dbraw/zinc/37/06/39/664370639.db2.gz DRDFNYQOTWNGAM-PUHVVEEASA-N 1 1 308.382 -1.223 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962236389 664370640 /nfs/dbraw/zinc/37/06/40/664370640.db2.gz DRDFNYQOTWNGAM-PUHVVEEASA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)N1CC[C@H](C)C1 ZINC000962239047 664370693 /nfs/dbraw/zinc/37/06/93/664370693.db2.gz WSUWPNWGEMPGNJ-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)N1CC[C@H](C)C1 ZINC000962239047 664370694 /nfs/dbraw/zinc/37/06/94/664370694.db2.gz WSUWPNWGEMPGNJ-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250379 664371120 /nfs/dbraw/zinc/37/11/20/664371120.db2.gz HJPAXUWMOKTSBX-YFKTTZPYSA-N 1 1 308.382 -1.414 20 0 DAADMO COCCc1noc(C[NH2+]CC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962251993 664371206 /nfs/dbraw/zinc/37/12/06/664371206.db2.gz QOMATCBLCHPZOJ-UHFFFAOYSA-N 1 1 311.342 -1.272 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962250218 664371441 /nfs/dbraw/zinc/37/14/41/664371441.db2.gz UXNNKGDKXKWEPC-UHFFFAOYSA-N 1 1 324.341 -2.172 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000962277385 664371902 /nfs/dbraw/zinc/37/19/02/664371902.db2.gz GBCYIRKBPIINKQ-RBQUTUCGSA-N 1 1 318.381 -1.298 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000962277385 664371904 /nfs/dbraw/zinc/37/19/04/664371904.db2.gz GBCYIRKBPIINKQ-RBQUTUCGSA-N 1 1 318.381 -1.298 20 0 DAADMO CN1CCCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962290216 664372337 /nfs/dbraw/zinc/37/23/37/664372337.db2.gz VQLWWMYQSHJENK-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CCCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962290216 664372340 /nfs/dbraw/zinc/37/23/40/664372340.db2.gz VQLWWMYQSHJENK-MEWQQHAOSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1)N1CCCC1 ZINC000962338652 664373622 /nfs/dbraw/zinc/37/36/22/664373622.db2.gz QVKKAKCBUSCANF-OZTPJHRESA-N 1 1 320.393 -1.066 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)n1 ZINC000962351352 664374117 /nfs/dbraw/zinc/37/41/17/664374117.db2.gz HMTBBJQCMLOYGT-KZWBYHQPSA-N 1 1 319.365 -1.528 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)n1 ZINC000962351352 664374119 /nfs/dbraw/zinc/37/41/19/664374119.db2.gz HMTBBJQCMLOYGT-KZWBYHQPSA-N 1 1 319.365 -1.528 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)C1 ZINC000962452710 664376431 /nfs/dbraw/zinc/37/64/31/664376431.db2.gz VBBRLPSFQLBSGL-MJBXVCDLSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)C1 ZINC000962452709 664376455 /nfs/dbraw/zinc/37/64/55/664376455.db2.gz VBBRLPSFQLBSGL-MCIONIFRSA-N 1 1 323.393 -1.027 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)ccc1=O ZINC000962469222 664376561 /nfs/dbraw/zinc/37/65/61/664376561.db2.gz OJGXYSYBUOFXBO-PFWNZEGQSA-N 1 1 317.349 -1.671 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3[C@H]4C[N@H+](CC(N)=O)C[C@H]43)nn21 ZINC000962448683 664376626 /nfs/dbraw/zinc/37/66/26/664376626.db2.gz GBPMUXXQRMJYLW-JZYVYDRUSA-N 1 1 315.337 -1.422 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3[C@H]4C[N@@H+](CC(N)=O)C[C@H]43)nn21 ZINC000962448683 664376628 /nfs/dbraw/zinc/37/66/28/664376628.db2.gz GBPMUXXQRMJYLW-JZYVYDRUSA-N 1 1 315.337 -1.422 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470065 664376875 /nfs/dbraw/zinc/37/68/75/664376875.db2.gz ROCGZVDBBDAIAY-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470065 664376878 /nfs/dbraw/zinc/37/68/78/664376878.db2.gz ROCGZVDBBDAIAY-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470577 664376929 /nfs/dbraw/zinc/37/69/29/664376929.db2.gz SWYGNXBOIFUJPA-IZWKTGJZSA-N 1 1 319.365 -1.296 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962474888 664376959 /nfs/dbraw/zinc/37/69/59/664376959.db2.gz LUUXOGXMYMFXRA-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962480423 664377129 /nfs/dbraw/zinc/37/71/29/664377129.db2.gz DITMBMAJPUJVNK-IWIIMEHWSA-N 1 1 310.354 -1.427 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962480818 664377439 /nfs/dbraw/zinc/37/74/39/664377439.db2.gz FFOGLDLDZNATTH-QISWUMQESA-N 1 1 310.354 -1.381 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962480816 664377448 /nfs/dbraw/zinc/37/74/48/664377448.db2.gz FFOGLDLDZNATTH-DNJQJEMRSA-N 1 1 310.354 -1.381 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962492283 664377552 /nfs/dbraw/zinc/37/75/52/664377552.db2.gz NRFJTHRVFOUTOG-KIKITERTSA-N 1 1 321.337 -2.527 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962514556 664378214 /nfs/dbraw/zinc/37/82/14/664378214.db2.gz WBQHXYFABRKAEB-AXTSPUMRSA-N 1 1 305.338 -1.384 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962512652 664378217 /nfs/dbraw/zinc/37/82/17/664378217.db2.gz WZEMGEBYVHFXPX-YJQGPUDQSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962512652 664378221 /nfs/dbraw/zinc/37/82/21/664378221.db2.gz WZEMGEBYVHFXPX-YJQGPUDQSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497584 664378264 /nfs/dbraw/zinc/37/82/64/664378264.db2.gz TTWOSBJQKGANAW-SKNMHBRKSA-N 1 1 308.338 -1.944 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962497584 664378269 /nfs/dbraw/zinc/37/82/69/664378269.db2.gz TTWOSBJQKGANAW-SKNMHBRKSA-N 1 1 308.338 -1.944 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962518441 664378458 /nfs/dbraw/zinc/37/84/58/664378458.db2.gz IZZLRZPNCUKNCG-HBYGRHMLSA-N 1 1 304.350 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962518441 664378461 /nfs/dbraw/zinc/37/84/61/664378461.db2.gz IZZLRZPNCUKNCG-HBYGRHMLSA-N 1 1 304.350 -1.359 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1=O ZINC000962534290 664378670 /nfs/dbraw/zinc/37/86/70/664378670.db2.gz OQTYKCCVQLMDEI-MTBHXBHISA-N 1 1 307.310 -2.369 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1=O ZINC000962534290 664378673 /nfs/dbraw/zinc/37/86/73/664378673.db2.gz OQTYKCCVQLMDEI-MTBHXBHISA-N 1 1 307.310 -2.369 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962534107 664378730 /nfs/dbraw/zinc/37/87/30/664378730.db2.gz SNRBIAUCCSEOJP-ZAZJYDDPSA-N 1 1 316.361 -1.217 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962535314 664378753 /nfs/dbraw/zinc/37/87/53/664378753.db2.gz ROZBNACBRDZRJS-VROVMSAKSA-N 1 1 321.337 -2.108 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962535314 664378757 /nfs/dbraw/zinc/37/87/57/664378757.db2.gz ROZBNACBRDZRJS-VROVMSAKSA-N 1 1 321.337 -2.108 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000962534549 664378836 /nfs/dbraw/zinc/37/88/36/664378836.db2.gz UEDOHCRNBBPDIC-MSRIBSCDSA-N 1 1 319.365 -1.201 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000962534549 664378838 /nfs/dbraw/zinc/37/88/38/664378838.db2.gz UEDOHCRNBBPDIC-MSRIBSCDSA-N 1 1 319.365 -1.201 20 0 DAADMO Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC000962557056 664379010 /nfs/dbraw/zinc/37/90/10/664379010.db2.gz SHDVUOWZZDWNHR-DCQANWLSSA-N 1 1 320.397 -1.394 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962570654 664379314 /nfs/dbraw/zinc/37/93/14/664379314.db2.gz WOJUWUXUXNRTDR-WGNDUZGJSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962570654 664379320 /nfs/dbraw/zinc/37/93/20/664379320.db2.gz WOJUWUXUXNRTDR-WGNDUZGJSA-N 1 1 305.338 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC000962608347 664380197 /nfs/dbraw/zinc/38/01/97/664380197.db2.gz UJSLAYSWHZLJIO-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC000962608347 664380200 /nfs/dbraw/zinc/38/02/00/664380200.db2.gz UJSLAYSWHZLJIO-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC000962620207 664380677 /nfs/dbraw/zinc/38/06/77/664380677.db2.gz VSPBMIQLHYTOJQ-RFQIPJPRSA-N 1 1 311.382 -1.074 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000962617720 664380709 /nfs/dbraw/zinc/38/07/09/664380709.db2.gz NNPXLVCJUSYDBN-FOGDFJRCSA-N 1 1 322.369 -1.932 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962615089 664380811 /nfs/dbraw/zinc/38/08/11/664380811.db2.gz KEAIJEQJMKJCQT-RFQIPJPRSA-N 1 1 311.382 -1.338 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CCCS1(=O)=O ZINC000962652359 664381613 /nfs/dbraw/zinc/38/16/13/664381613.db2.gz JKERRQYGSJXFQH-WHOHXGKFSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CCCS1(=O)=O ZINC000962652359 664381615 /nfs/dbraw/zinc/38/16/15/664381615.db2.gz JKERRQYGSJXFQH-WHOHXGKFSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)Cn3cncn3)C2)n1 ZINC000962651799 664381641 /nfs/dbraw/zinc/38/16/41/664381641.db2.gz RESKHZKSXZSLIH-UHFFFAOYSA-N 1 1 305.346 -1.514 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000962712393 664382972 /nfs/dbraw/zinc/38/29/72/664382972.db2.gz VKROUEZUJGHCSJ-MXWKQRLJSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000962720217 664383129 /nfs/dbraw/zinc/38/31/29/664383129.db2.gz GOWRQNCDUFRBOG-AXFHLTTASA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)nn1 ZINC000962717327 664383208 /nfs/dbraw/zinc/38/32/08/664383208.db2.gz QGWGQYXHYAWOGZ-UMNHJUIQSA-N 1 1 322.369 -1.932 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)nn1 ZINC000962815340 664385036 /nfs/dbraw/zinc/38/50/36/664385036.db2.gz XMSPLQPILHPLST-IWIIMEHWSA-N 1 1 324.360 -1.004 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)nn1 ZINC000962815340 664385038 /nfs/dbraw/zinc/38/50/38/664385038.db2.gz XMSPLQPILHPLST-IWIIMEHWSA-N 1 1 324.360 -1.004 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC000962813199 664385190 /nfs/dbraw/zinc/38/51/90/664385190.db2.gz FYWURDBDNYDCQT-MNOVXSKESA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC000962812581 664385270 /nfs/dbraw/zinc/38/52/70/664385270.db2.gz DDJVSECZAIQEGR-MNOVXSKESA-N 1 1 318.337 -1.084 20 0 DAADMO NC(=O)Cn1cc(NC(=O)N2CC[NH+](CCO)CC2)ccc1=O ZINC000650341408 664386245 /nfs/dbraw/zinc/38/62/45/664386245.db2.gz XAMJKAYBNWPLIN-UHFFFAOYSA-N 1 1 323.353 -1.525 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962922452 664387073 /nfs/dbraw/zinc/38/70/73/664387073.db2.gz OJOHQKFDIXEOSN-APOZVJGGSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)n1 ZINC000962922452 664387075 /nfs/dbraw/zinc/38/70/75/664387075.db2.gz OJOHQKFDIXEOSN-APOZVJGGSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987346 664387328 /nfs/dbraw/zinc/38/73/28/664387328.db2.gz JMYCNZGYFJRWMN-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987346 664387331 /nfs/dbraw/zinc/38/73/31/664387331.db2.gz JMYCNZGYFJRWMN-QAHWYCSRSA-N 1 1 317.349 -1.286 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000963025457 664387529 /nfs/dbraw/zinc/38/75/29/664387529.db2.gz WJNPVZSUZPZEGC-DEKYYXRVSA-N 1 1 317.349 -1.265 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000963043013 664387984 /nfs/dbraw/zinc/38/79/84/664387984.db2.gz FZQKKGYFCHWXNR-SREGZZRCSA-N 1 1 319.321 -1.157 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000963100237 664388357 /nfs/dbraw/zinc/38/83/57/664388357.db2.gz QDJBOXTYQPSGGJ-SKNMHBRKSA-N 1 1 308.338 -2.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000963100237 664388361 /nfs/dbraw/zinc/38/83/61/664388361.db2.gz QDJBOXTYQPSGGJ-SKNMHBRKSA-N 1 1 308.338 -2.168 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000963376432 664389145 /nfs/dbraw/zinc/38/91/45/664389145.db2.gz WOVSLDGHSDKEFL-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2O)C1 ZINC000963375527 664389454 /nfs/dbraw/zinc/38/94/54/664389454.db2.gz MACUILRQPMTLFC-AXFHLTTASA-N 1 1 323.357 -2.687 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000963305032 664389492 /nfs/dbraw/zinc/38/94/92/664389492.db2.gz YLAASRSYCVDHFY-RYUDHWBXSA-N 1 1 321.385 -1.139 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]n1 ZINC000963376007 664389508 /nfs/dbraw/zinc/38/95/08/664389508.db2.gz SZPWUNWTVCQBNS-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC000963376007 664389510 /nfs/dbraw/zinc/38/95/10/664389510.db2.gz SZPWUNWTVCQBNS-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC000963376007 664389512 /nfs/dbraw/zinc/38/95/12/664389512.db2.gz SZPWUNWTVCQBNS-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000963375252 664389516 /nfs/dbraw/zinc/38/95/16/664389516.db2.gz JXFJCTISWFOTEB-JLLWLGSASA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC000963397241 664389836 /nfs/dbraw/zinc/38/98/36/664389836.db2.gz VLQNUNWXXOKZAG-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)C1 ZINC000963394836 664389913 /nfs/dbraw/zinc/38/99/13/664389913.db2.gz NDXJZGCOQOTEIH-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2O)C1 ZINC000963417971 664389937 /nfs/dbraw/zinc/38/99/37/664389937.db2.gz DATIGQOPFSFBEA-AXFHLTTASA-N 1 1 324.381 -2.109 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)C1 ZINC000963393048 664389978 /nfs/dbraw/zinc/38/99/78/664389978.db2.gz GUTZBYGHSTVVOK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2O)C1 ZINC000963393048 664389980 /nfs/dbraw/zinc/38/99/80/664389980.db2.gz GUTZBYGHSTVVOK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2O)C1 ZINC000963393048 664389982 /nfs/dbraw/zinc/38/99/82/664389982.db2.gz GUTZBYGHSTVVOK-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963391841 664390046 /nfs/dbraw/zinc/39/00/46/664390046.db2.gz AZESDKMCKXGPDE-AEJSXWLSSA-N 1 1 323.357 -2.537 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@@H]2O)C1 ZINC000963419803 664390121 /nfs/dbraw/zinc/39/01/21/664390121.db2.gz JXWZDKKUHHOSCN-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2O)C1 ZINC000963419803 664390122 /nfs/dbraw/zinc/39/01/22/664390122.db2.gz JXWZDKKUHHOSCN-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@H]2O)C1 ZINC000963419803 664390124 /nfs/dbraw/zinc/39/01/24/664390124.db2.gz JXWZDKKUHHOSCN-AXFHLTTASA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2O)C1 ZINC000963382549 664390160 /nfs/dbraw/zinc/39/01/60/664390160.db2.gz JGZNKUHTJWEVRW-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2O)C1 ZINC000963382549 664390164 /nfs/dbraw/zinc/39/01/64/664390164.db2.gz JGZNKUHTJWEVRW-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@@H]2O)C1 ZINC000963417978 664390196 /nfs/dbraw/zinc/39/01/96/664390196.db2.gz DBODAPQMAPUPEW-TUAOUCFPSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000963391850 664390381 /nfs/dbraw/zinc/39/03/81/664390381.db2.gz BEJAVZJXAAFTQA-UMNHJUIQSA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC000963397237 664390385 /nfs/dbraw/zinc/39/03/85/664390385.db2.gz VLQNUNWXXOKZAG-LOWVWBTDSA-N 1 1 321.381 -1.327 20 0 DAADMO Cc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963396469 664390420 /nfs/dbraw/zinc/39/04/20/664390420.db2.gz TWYDJSQHMSALOI-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963394962 664390479 /nfs/dbraw/zinc/39/04/79/664390479.db2.gz ORJGVOSTTAKODA-MXWKQRLJSA-N 1 1 323.353 -1.369 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]2O)C1 ZINC000963420986 664390779 /nfs/dbraw/zinc/39/07/79/664390779.db2.gz QDDUIGJIURWMTC-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424197 664390929 /nfs/dbraw/zinc/39/09/29/664390929.db2.gz MSFGKSCPKNZIFD-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424197 664390933 /nfs/dbraw/zinc/39/09/33/664390933.db2.gz MSFGKSCPKNZIFD-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000963472613 664391450 /nfs/dbraw/zinc/39/14/50/664391450.db2.gz JIJXSDLIGQXVNW-ZJUUUORDSA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1 ZINC000963846877 664396275 /nfs/dbraw/zinc/39/62/75/664396275.db2.gz MPSOOPMJOFTMRN-AXFHLTTASA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963872825 664397064 /nfs/dbraw/zinc/39/70/64/664397064.db2.gz DNLBYMWRLQXTCS-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3nccn3)[C@@H](O)C2)C1 ZINC000964034320 664398573 /nfs/dbraw/zinc/39/85/73/664398573.db2.gz WWWQKTYSXZWBNJ-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150312 664401962 /nfs/dbraw/zinc/40/19/62/664401962.db2.gz YHWJNCUQEODBTF-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(F)F)C1 ZINC000964150312 664401964 /nfs/dbraw/zinc/40/19/64/664401964.db2.gz YHWJNCUQEODBTF-ZJUUUORDSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)c2cnon2)C1 ZINC000964190746 664403287 /nfs/dbraw/zinc/40/32/87/664403287.db2.gz MEJVVAJZWIPRQF-GHMZBOCLSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)c2cn[nH]n2)C1 ZINC000964194973 664403835 /nfs/dbraw/zinc/40/38/35/664403835.db2.gz ZTLZFBPFQNEDHI-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)c2nc[nH]n2)C1 ZINC000964194277 664403897 /nfs/dbraw/zinc/40/38/97/664403897.db2.gz WHWSIZKQKSVLLH-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC(N)=O)C1 ZINC000964202236 664404045 /nfs/dbraw/zinc/40/40/45/664404045.db2.gz QTBBLESVOHQSKI-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC000964250974 664405687 /nfs/dbraw/zinc/40/56/87/664405687.db2.gz SPZIXQZZJNSFET-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nnc[nH]2)C1 ZINC000964311390 664408509 /nfs/dbraw/zinc/40/85/09/664408509.db2.gz RQGGKKRRCLKIGZ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311390 664408511 /nfs/dbraw/zinc/40/85/11/664408511.db2.gz RQGGKKRRCLKIGZ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311390 664408513 /nfs/dbraw/zinc/40/85/13/664408513.db2.gz RQGGKKRRCLKIGZ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311390 664408518 /nfs/dbraw/zinc/40/85/18/664408518.db2.gz RQGGKKRRCLKIGZ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311390 664408520 /nfs/dbraw/zinc/40/85/20/664408520.db2.gz RQGGKKRRCLKIGZ-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000964575013 664411645 /nfs/dbraw/zinc/41/16/45/664411645.db2.gz QQDYTVVLUSJLSG-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000964575013 664411649 /nfs/dbraw/zinc/41/16/49/664411649.db2.gz QQDYTVVLUSJLSG-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000965005128 664414311 /nfs/dbraw/zinc/41/43/11/664414311.db2.gz MHIQSKREDHJOAQ-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000965005128 664414313 /nfs/dbraw/zinc/41/43/13/664414313.db2.gz MHIQSKREDHJOAQ-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042866 664415518 /nfs/dbraw/zinc/41/55/18/664415518.db2.gz VUVCHWPMBPQFGK-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965042866 664415520 /nfs/dbraw/zinc/41/55/20/664415520.db2.gz VUVCHWPMBPQFGK-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965327706 664419431 /nfs/dbraw/zinc/41/94/31/664419431.db2.gz PKOCOWYCOKJEFZ-SNVBAGLBSA-N 1 1 310.354 -1.994 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C(=O)CC(N)=O)CCO3)C1 ZINC000965332835 664419879 /nfs/dbraw/zinc/41/98/79/664419879.db2.gz KATRIQMBZLHZAV-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)CC(N)=O)CCO3)C1 ZINC000965332833 664420018 /nfs/dbraw/zinc/42/00/18/664420018.db2.gz KATRIQMBZLHZAV-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965386784 664420810 /nfs/dbraw/zinc/42/08/10/664420810.db2.gz KSHCUWCVVACFJJ-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965461692 664422622 /nfs/dbraw/zinc/42/26/22/664422622.db2.gz KPZUKBWHJWVANI-SNVBAGLBSA-N 1 1 310.354 -1.994 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965465102 664423249 /nfs/dbraw/zinc/42/32/49/664423249.db2.gz IGPUAKZNPJIRTR-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC000965544837 664425702 /nfs/dbraw/zinc/42/57/02/664425702.db2.gz UQLBZXFHQVQYRG-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC000965544836 664425832 /nfs/dbraw/zinc/42/58/32/664425832.db2.gz UQLBZXFHQVQYRG-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965658208 664427993 /nfs/dbraw/zinc/42/79/93/664427993.db2.gz RPDAQGOVLQSVAP-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965658211 664428036 /nfs/dbraw/zinc/42/80/36/664428036.db2.gz RPDAQGOVLQSVAP-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965658209 664428352 /nfs/dbraw/zinc/42/83/52/664428352.db2.gz RPDAQGOVLQSVAP-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)CC[N@H+]1C ZINC000965715735 664429743 /nfs/dbraw/zinc/42/97/43/664429743.db2.gz OPCIHEJXOHYCRK-GMTAPVOTSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965801472 664434116 /nfs/dbraw/zinc/43/41/16/664434116.db2.gz BAFMQZNKYWDXRT-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965803705 664434327 /nfs/dbraw/zinc/43/43/27/664434327.db2.gz GZHVIDXTEQUNIG-ZJUUUORDSA-N 1 1 310.354 -2.091 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)C1 ZINC000965801460 664434411 /nfs/dbraw/zinc/43/44/11/664434411.db2.gz BAFMQZNKYWDXRT-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)CC[N@H+]1C ZINC000965808969 664434925 /nfs/dbraw/zinc/43/49/25/664434925.db2.gz YLCFTZKJPUALPD-GMTAPVOTSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965821098 664435679 /nfs/dbraw/zinc/43/56/79/664435679.db2.gz UNFLJRIVAVRWBG-WDEREUQCSA-N 1 1 324.381 -1.700 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898759 664436261 /nfs/dbraw/zinc/43/62/61/664436261.db2.gz CPGMYUUJFNUTEN-VHSXEESVSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898759 664436264 /nfs/dbraw/zinc/43/62/64/664436264.db2.gz CPGMYUUJFNUTEN-VHSXEESVSA-N 1 1 310.358 -1.444 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)C1 ZINC000965934612 664436893 /nfs/dbraw/zinc/43/68/93/664436893.db2.gz ZHMKIPHDBHBGIL-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)C1 ZINC000965934612 664436896 /nfs/dbraw/zinc/43/68/96/664436896.db2.gz ZHMKIPHDBHBGIL-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966133051 664438997 /nfs/dbraw/zinc/43/89/97/664438997.db2.gz MUHBHIHBMACYBR-VXGBXAGGSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966137462 664439023 /nfs/dbraw/zinc/43/90/23/664439023.db2.gz VNXKYJRHXSSHKI-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966137462 664439026 /nfs/dbraw/zinc/43/90/26/664439026.db2.gz VNXKYJRHXSSHKI-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966137466 664439171 /nfs/dbraw/zinc/43/91/71/664439171.db2.gz VNXKYJRHXSSHKI-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966137466 664439173 /nfs/dbraw/zinc/43/91/73/664439173.db2.gz VNXKYJRHXSSHKI-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000966524689 664445377 /nfs/dbraw/zinc/44/53/77/664445377.db2.gz LWCACQNHMIUBLT-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000966708701 664448963 /nfs/dbraw/zinc/44/89/63/664448963.db2.gz FYRTVTSVSAAXMG-LLVKDONJSA-N 1 1 303.326 -1.152 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000966759549 664450880 /nfs/dbraw/zinc/45/08/80/664450880.db2.gz HJZBIYHHGHZJJS-GZMMTYOYSA-N 1 1 323.353 -1.202 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846345 664452454 /nfs/dbraw/zinc/45/24/54/664452454.db2.gz PTWAASCMXNSJOR-JQWIXIFHSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000966846345 664452460 /nfs/dbraw/zinc/45/24/60/664452460.db2.gz PTWAASCMXNSJOR-JQWIXIFHSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000966888878 664453814 /nfs/dbraw/zinc/45/38/14/664453814.db2.gz GOEDINQTWPQWON-SECBINFHSA-N 1 1 318.345 -1.615 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035588 664454213 /nfs/dbraw/zinc/45/42/13/664454213.db2.gz URVZZFLHTNVMEW-WDEREUQCSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035588 664454215 /nfs/dbraw/zinc/45/42/15/664454215.db2.gz URVZZFLHTNVMEW-WDEREUQCSA-N 1 1 324.385 -1.846 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC000967004454 664454507 /nfs/dbraw/zinc/45/45/07/664454507.db2.gz APSQKBAUVUHZCQ-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO CC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000967200918 664457913 /nfs/dbraw/zinc/45/79/13/664457913.db2.gz TUFXLHUNMMDNLY-AWEZNQCLSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000967200918 664457914 /nfs/dbraw/zinc/45/79/14/664457914.db2.gz TUFXLHUNMMDNLY-AWEZNQCLSA-N 1 1 310.398 -1.308 20 0 DAADMO COCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967721887 664464887 /nfs/dbraw/zinc/46/48/87/664464887.db2.gz LTMHPVLMHMHMBR-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)c1nnn(C)n1 ZINC000967894589 664466521 /nfs/dbraw/zinc/46/65/21/664466521.db2.gz JBWBGWOOWIUDTJ-MNOVXSKESA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)c1nnn(C)n1 ZINC000967894594 664466871 /nfs/dbraw/zinc/46/68/71/664466871.db2.gz JBWBGWOOWIUDTJ-QWRGUYRKSA-N 1 1 319.373 -1.058 20 0 DAADMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000967842552 664466999 /nfs/dbraw/zinc/46/69/99/664466999.db2.gz YXHNUNNIDLLDHE-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000967842555 664467052 /nfs/dbraw/zinc/46/70/52/664467052.db2.gz YXHNUNNIDLLDHE-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000967977843 664468995 /nfs/dbraw/zinc/46/89/95/664468995.db2.gz GNNSNPUEQZFAOF-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968106687 664470203 /nfs/dbraw/zinc/47/02/03/664470203.db2.gz YKWPKRMMKWDKOE-SECBINFHSA-N 1 1 309.374 -1.006 20 0 DAADMO C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968150553 664470822 /nfs/dbraw/zinc/47/08/22/664470822.db2.gz GQHHVYIFVJWVIQ-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1NC(=O)C(N)=O ZINC000968150553 664470825 /nfs/dbraw/zinc/47/08/25/664470825.db2.gz GQHHVYIFVJWVIQ-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968156944 664471051 /nfs/dbraw/zinc/47/10/51/664471051.db2.gz WKZLNXKVEIWBHX-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968156944 664471053 /nfs/dbraw/zinc/47/10/53/664471053.db2.gz WKZLNXKVEIWBHX-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000968221852 664472827 /nfs/dbraw/zinc/47/28/27/664472827.db2.gz ATEFCENZXIXQLN-MNOVXSKESA-N 1 1 305.338 -1.052 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000968304323 664474883 /nfs/dbraw/zinc/47/48/83/664474883.db2.gz UQNIXNQLSGLLRT-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968308577 664474979 /nfs/dbraw/zinc/47/49/79/664474979.db2.gz RSKWXDQOLBCGBN-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968308574 664475146 /nfs/dbraw/zinc/47/51/46/664475146.db2.gz RSKWXDQOLBCGBN-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000968392330 664476185 /nfs/dbraw/zinc/47/61/85/664476185.db2.gz WCDDCQIMDWCHQC-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC000968453219 664477671 /nfs/dbraw/zinc/47/76/71/664477671.db2.gz FGEYRAIGRYNTGZ-SECBINFHSA-N 1 1 306.330 -1.497 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC000968514297 664479846 /nfs/dbraw/zinc/47/98/46/664479846.db2.gz MZDUUSORRLXRLG-BXKDBHETSA-N 1 1 321.385 -1.060 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)C2)C1 ZINC000968508456 664479940 /nfs/dbraw/zinc/47/99/40/664479940.db2.gz SLDYFYAUNUPSIT-GFCCVEGCSA-N 1 1 306.370 -1.016 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000968539796 664480427 /nfs/dbraw/zinc/48/04/27/664480427.db2.gz QITMYFPPZXKZEK-WDEREUQCSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544680 664480470 /nfs/dbraw/zinc/48/04/70/664480470.db2.gz RXNMYQJDKWGVHE-MWLCHTKSSA-N 1 1 320.353 -1.150 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2C)c(=O)n1C ZINC000968601882 664480833 /nfs/dbraw/zinc/48/08/33/664480833.db2.gz LMHXEXVWUJAATQ-CMPLNLGQSA-N 1 1 311.386 -1.291 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[N@H+](CCO)CC[C@@H]2C)c(=O)n1C ZINC000968601883 664481057 /nfs/dbraw/zinc/48/10/57/664481057.db2.gz LMHXEXVWUJAATQ-JQWIXIFHSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000968617357 664481481 /nfs/dbraw/zinc/48/14/81/664481481.db2.gz VIXIUBGPOPBQOI-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627886 664481524 /nfs/dbraw/zinc/48/15/24/664481524.db2.gz PFRRPUOQGSXBCB-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000968643361 664481648 /nfs/dbraw/zinc/48/16/48/664481648.db2.gz LDLHCBCCFFPXOV-ONGXEEELSA-N 1 1 310.354 -1.082 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631305 664481737 /nfs/dbraw/zinc/48/17/37/664481737.db2.gz GHMXJJYWFJNLRB-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631305 664481739 /nfs/dbraw/zinc/48/17/39/664481739.db2.gz GHMXJJYWFJNLRB-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC000968648256 664481787 /nfs/dbraw/zinc/48/17/87/664481787.db2.gz PURRHAIJCGRNBR-GHMZBOCLSA-N 1 1 310.358 -1.294 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC000968683375 664482383 /nfs/dbraw/zinc/48/23/83/664482383.db2.gz IGVOYFVFYVUGLA-LLVKDONJSA-N 1 1 319.373 -1.016 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000968683257 664482577 /nfs/dbraw/zinc/48/25/77/664482577.db2.gz CBOBCZLWHWHOQC-DTWKUNHWSA-N 1 1 306.334 -1.852 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968700478 664484435 /nfs/dbraw/zinc/48/44/35/664484435.db2.gz GICMELWPEJSHTJ-IEBDPFPHSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700478 664484436 /nfs/dbraw/zinc/48/44/36/664484436.db2.gz GICMELWPEJSHTJ-IEBDPFPHSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700478 664484438 /nfs/dbraw/zinc/48/44/38/664484438.db2.gz GICMELWPEJSHTJ-IEBDPFPHSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1)C1CCC1 ZINC000968707492 664484870 /nfs/dbraw/zinc/48/48/70/664484870.db2.gz RSWYTOYBXXSKCJ-NEPJUHHUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CCC1 ZINC000968707492 664484874 /nfs/dbraw/zinc/48/48/74/664484874.db2.gz RSWYTOYBXXSKCJ-NEPJUHHUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CCC1 ZINC000968707492 664484876 /nfs/dbraw/zinc/48/48/76/664484876.db2.gz RSWYTOYBXXSKCJ-NEPJUHHUSA-N 1 1 322.369 -1.410 20 0 DAADMO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000968708465 664485060 /nfs/dbraw/zinc/48/50/60/664485060.db2.gz DKNZPORKHCCOPR-GRYCIOLGSA-N 1 1 324.385 -1.308 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)n1 ZINC000968737722 664485884 /nfs/dbraw/zinc/48/58/84/664485884.db2.gz FUOCFZFDBDPGDJ-MRVPVSSYSA-N 1 1 320.313 -1.849 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)CC1=O ZINC000968844618 664487083 /nfs/dbraw/zinc/48/70/83/664487083.db2.gz FYVNGROVKBHXLQ-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000968845387 664487173 /nfs/dbraw/zinc/48/71/73/664487173.db2.gz OARQMTHOXBHEMU-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000968886154 664487839 /nfs/dbraw/zinc/48/78/39/664487839.db2.gz UOAUOUQICFVAHY-JLLWLGSASA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000968897500 664488008 /nfs/dbraw/zinc/48/80/08/664488008.db2.gz DUZZFJKSGCENNW-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC000968895321 664488191 /nfs/dbraw/zinc/48/81/91/664488191.db2.gz BSLBXQKTYGFSIL-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)[nH]1 ZINC000968930250 664488451 /nfs/dbraw/zinc/48/84/51/664488451.db2.gz SRVCVZSZEQQPOV-LLVKDONJSA-N 1 1 322.369 -1.338 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)n1 ZINC000968953012 664488482 /nfs/dbraw/zinc/48/84/82/664488482.db2.gz YYDIAZCAWYCKBJ-SCZZXKLOSA-N 1 1 321.341 -1.896 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@@H]1O ZINC000968946396 664488529 /nfs/dbraw/zinc/48/85/29/664488529.db2.gz GOUUNYIOSROXTL-UPJWGTAASA-N 1 1 322.365 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1O ZINC000968949631 664488547 /nfs/dbraw/zinc/48/85/47/664488547.db2.gz REPPGQPDURRTSH-MBNYWOFBSA-N 1 1 324.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC000968991126 664488952 /nfs/dbraw/zinc/48/89/52/664488952.db2.gz VXXLLIXYXXNWDX-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC000968991126 664488954 /nfs/dbraw/zinc/48/89/54/664488954.db2.gz VXXLLIXYXXNWDX-SNVBAGLBSA-N 1 1 309.374 -1.070 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)n1 ZINC000968964640 664489009 /nfs/dbraw/zinc/48/90/09/664489009.db2.gz NUCVRCPROWTSGC-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000969069913 664489944 /nfs/dbraw/zinc/48/99/44/664489944.db2.gz FWUWAVPUMKXNIQ-NSHDSACASA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000969069913 664489945 /nfs/dbraw/zinc/48/99/45/664489945.db2.gz FWUWAVPUMKXNIQ-NSHDSACASA-N 1 1 324.381 -1.115 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000969067282 664490001 /nfs/dbraw/zinc/49/00/01/664490001.db2.gz JONRTIXCQOQQMV-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CN(C(=O)C(N)=O)C1 ZINC001006540637 664490376 /nfs/dbraw/zinc/49/03/76/664490376.db2.gz CTVVFLWCQFVIPT-BMIGLBTASA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001006684832 664491802 /nfs/dbraw/zinc/49/18/02/664491802.db2.gz NLIUYUFWPGJIMV-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001006684832 664491804 /nfs/dbraw/zinc/49/18/04/664491804.db2.gz NLIUYUFWPGJIMV-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007116644 664493499 /nfs/dbraw/zinc/49/34/99/664493499.db2.gz KVRMOGVLMPYNME-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007116644 664493500 /nfs/dbraw/zinc/49/35/00/664493500.db2.gz KVRMOGVLMPYNME-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007116646 664493504 /nfs/dbraw/zinc/49/35/04/664493504.db2.gz KVRMOGVLMPYNME-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007116646 664493505 /nfs/dbraw/zinc/49/35/05/664493505.db2.gz KVRMOGVLMPYNME-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004580 664493538 /nfs/dbraw/zinc/49/35/38/664493538.db2.gz VLTYKBIQSHXXOC-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004580 664493540 /nfs/dbraw/zinc/49/35/40/664493540.db2.gz VLTYKBIQSHXXOC-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007155098 664494049 /nfs/dbraw/zinc/49/40/49/664494049.db2.gz JAMAVJBILVVBLR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001007155098 664494051 /nfs/dbraw/zinc/49/40/51/664494051.db2.gz JAMAVJBILVVBLR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007349196 664494467 /nfs/dbraw/zinc/49/44/67/664494467.db2.gz LYLOEDQDVLHOFM-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007349196 664494470 /nfs/dbraw/zinc/49/44/70/664494470.db2.gz LYLOEDQDVLHOFM-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001007340657 664494534 /nfs/dbraw/zinc/49/45/34/664494534.db2.gz VYOADCNVYVZLQK-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001007340657 664494535 /nfs/dbraw/zinc/49/45/35/664494535.db2.gz VYOADCNVYVZLQK-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001007346619 664494547 /nfs/dbraw/zinc/49/45/47/664494547.db2.gz WXJBTJKPCVSICY-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001007346619 664494548 /nfs/dbraw/zinc/49/45/48/664494548.db2.gz WXJBTJKPCVSICY-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007343118 664494765 /nfs/dbraw/zinc/49/47/65/664494765.db2.gz LWUBNFSFHWQVES-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007343118 664494766 /nfs/dbraw/zinc/49/47/66/664494766.db2.gz LWUBNFSFHWQVES-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001007339420 664494776 /nfs/dbraw/zinc/49/47/76/664494776.db2.gz PSMVIKREXCYKDU-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001007339420 664494777 /nfs/dbraw/zinc/49/47/77/664494777.db2.gz PSMVIKREXCYKDU-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372447 664495015 /nfs/dbraw/zinc/49/50/15/664495015.db2.gz MKJXGCYRKSFFMO-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007427465 664495135 /nfs/dbraw/zinc/49/51/35/664495135.db2.gz IPNDGZZPROSAPV-GHMZBOCLSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007427465 664495137 /nfs/dbraw/zinc/49/51/37/664495137.db2.gz IPNDGZZPROSAPV-GHMZBOCLSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001007465257 664495209 /nfs/dbraw/zinc/49/52/09/664495209.db2.gz RQTKGEBTDAZRIL-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007464770 664495152 /nfs/dbraw/zinc/49/51/52/664495152.db2.gz OJMIXYZIPCZTPD-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001007465249 664495224 /nfs/dbraw/zinc/49/52/24/664495224.db2.gz RQTKGEBTDAZRIL-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007427477 664495309 /nfs/dbraw/zinc/49/53/09/664495309.db2.gz IPNDGZZPROSAPV-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001007427477 664495312 /nfs/dbraw/zinc/49/53/12/664495312.db2.gz IPNDGZZPROSAPV-WDEREUQCSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007427473 664495340 /nfs/dbraw/zinc/49/53/40/664495340.db2.gz IPNDGZZPROSAPV-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007427473 664495343 /nfs/dbraw/zinc/49/53/43/664495343.db2.gz IPNDGZZPROSAPV-QWRGUYRKSA-N 1 1 320.353 -1.336 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007464772 664495350 /nfs/dbraw/zinc/49/53/50/664495350.db2.gz OJMIXYZIPCZTPD-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007505184 664495545 /nfs/dbraw/zinc/49/55/45/664495545.db2.gz VHYCXGYOFYXCBL-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007505184 664495546 /nfs/dbraw/zinc/49/55/46/664495546.db2.gz VHYCXGYOFYXCBL-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007505183 664495554 /nfs/dbraw/zinc/49/55/54/664495554.db2.gz VHYCXGYOFYXCBL-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007505183 664495555 /nfs/dbraw/zinc/49/55/55/664495555.db2.gz VHYCXGYOFYXCBL-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001007621984 664495853 /nfs/dbraw/zinc/49/58/53/664495853.db2.gz XIWLNAQEQVZIHZ-ABAIWWIYSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC001007654124 664496514 /nfs/dbraw/zinc/49/65/14/664496514.db2.gz AKYHPHCQAGQYHU-XHDPSFHLSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703243 664496872 /nfs/dbraw/zinc/49/68/72/664496872.db2.gz HEQLHIFQJRXXDP-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703243 664496874 /nfs/dbraw/zinc/49/68/74/664496874.db2.gz HEQLHIFQJRXXDP-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007697067 664497064 /nfs/dbraw/zinc/49/70/64/664497064.db2.gz VXDSMGCHXJVTQA-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001007706787 664497285 /nfs/dbraw/zinc/49/72/85/664497285.db2.gz WEMOGNVBKKBNFN-ABAIWWIYSA-N 1 1 324.381 -1.604 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706144 664497314 /nfs/dbraw/zinc/49/73/14/664497314.db2.gz OTNXHKBGSAZKCI-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706144 664497316 /nfs/dbraw/zinc/49/73/16/664497316.db2.gz OTNXHKBGSAZKCI-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007707077 664497511 /nfs/dbraw/zinc/49/75/11/664497511.db2.gz RYWJKTQUNZNJAH-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007707077 664497513 /nfs/dbraw/zinc/49/75/13/664497513.db2.gz RYWJKTQUNZNJAH-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007774759 664497756 /nfs/dbraw/zinc/49/77/56/664497756.db2.gz KASGKHSMUQYSNZ-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007774759 664497758 /nfs/dbraw/zinc/49/77/58/664497758.db2.gz KASGKHSMUQYSNZ-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001008033613 664498383 /nfs/dbraw/zinc/49/83/83/664498383.db2.gz QXQXVSGSZQCYOW-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001008033613 664498385 /nfs/dbraw/zinc/49/83/85/664498385.db2.gz QXQXVSGSZQCYOW-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO NC(=O)CN1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007992507 664498684 /nfs/dbraw/zinc/49/86/84/664498684.db2.gz XNWLLFHHCZQAHC-BWAOXVRWSA-N 1 1 322.409 -1.085 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832073 664498730 /nfs/dbraw/zinc/49/87/30/664498730.db2.gz KHCVPRPZHJZBSC-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832073 664498733 /nfs/dbraw/zinc/49/87/33/664498733.db2.gz KHCVPRPZHJZBSC-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001007983012 664498767 /nfs/dbraw/zinc/49/87/67/664498767.db2.gz LEGISFICPXPJJL-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)ncc1=O ZINC001007983012 664498770 /nfs/dbraw/zinc/49/87/70/664498770.db2.gz LEGISFICPXPJJL-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001007983016 664498777 /nfs/dbraw/zinc/49/87/77/664498777.db2.gz LEGISFICPXPJJL-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001007983016 664498778 /nfs/dbraw/zinc/49/87/78/664498778.db2.gz LEGISFICPXPJJL-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001008165648 664498971 /nfs/dbraw/zinc/49/89/71/664498971.db2.gz XUFGWFCSNDFOAV-VXGBXAGGSA-N 1 1 321.385 -1.118 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008194075 664500023 /nfs/dbraw/zinc/50/00/23/664500023.db2.gz NFATXLYYCWHYFS-RWSFTLGLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1 ZINC001008194075 664500024 /nfs/dbraw/zinc/50/00/24/664500024.db2.gz NFATXLYYCWHYFS-RWSFTLGLSA-N 1 1 324.381 -1.700 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365502 664500942 /nfs/dbraw/zinc/50/09/42/664500942.db2.gz OLRUHOHGQFOANN-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365502 664500945 /nfs/dbraw/zinc/50/09/45/664500945.db2.gz OLRUHOHGQFOANN-GHMZBOCLSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001008375161 664501572 /nfs/dbraw/zinc/50/15/72/664501572.db2.gz QDEVWNMKJYXRRX-QWRGUYRKSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001008375371 664501598 /nfs/dbraw/zinc/50/15/98/664501598.db2.gz QTIZMMOWCBKWRR-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001008562405 664503356 /nfs/dbraw/zinc/50/33/56/664503356.db2.gz ZETMAHVNRHLROU-TUAOUCFPSA-N 1 1 323.397 -1.286 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001008731113 664503914 /nfs/dbraw/zinc/50/39/14/664503914.db2.gz PMEFKQSMNCODOK-LLVKDONJSA-N 1 1 324.381 -1.339 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1=O ZINC001008727454 664503950 /nfs/dbraw/zinc/50/39/50/664503950.db2.gz PPLJZNRNEYFDPC-SECBINFHSA-N 1 1 314.317 -1.043 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1=O ZINC001008727454 664503952 /nfs/dbraw/zinc/50/39/52/664503952.db2.gz PPLJZNRNEYFDPC-SECBINFHSA-N 1 1 314.317 -1.043 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008738264 664504110 /nfs/dbraw/zinc/50/41/10/664504110.db2.gz RIBYERQGWYNIPI-WDEREUQCSA-N 1 1 324.381 -1.341 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001008731116 664504141 /nfs/dbraw/zinc/50/41/41/664504141.db2.gz PMEFKQSMNCODOK-NSHDSACASA-N 1 1 324.381 -1.339 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901572 664504572 /nfs/dbraw/zinc/50/45/72/664504572.db2.gz RTKNYXGXGISREM-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901572 664504574 /nfs/dbraw/zinc/50/45/74/664504574.db2.gz RTKNYXGXGISREM-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901578 664504578 /nfs/dbraw/zinc/50/45/78/664504578.db2.gz RTKNYXGXGISREM-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008901578 664504580 /nfs/dbraw/zinc/50/45/80/664504580.db2.gz RTKNYXGXGISREM-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008891766 664504612 /nfs/dbraw/zinc/50/46/12/664504612.db2.gz JGVVNCIBNHDXAZ-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008891766 664504616 /nfs/dbraw/zinc/50/46/16/664504616.db2.gz JGVVNCIBNHDXAZ-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863152 664504679 /nfs/dbraw/zinc/50/46/79/664504679.db2.gz PSEDRENKZCXQKY-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008863152 664504682 /nfs/dbraw/zinc/50/46/82/664504682.db2.gz PSEDRENKZCXQKY-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008891768 664504709 /nfs/dbraw/zinc/50/47/09/664504709.db2.gz JGVVNCIBNHDXAZ-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008891768 664504713 /nfs/dbraw/zinc/50/47/13/664504713.db2.gz JGVVNCIBNHDXAZ-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001009091542 664505416 /nfs/dbraw/zinc/50/54/16/664505416.db2.gz YPJZSPOQWKJGSL-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)C1 ZINC001009135192 664505756 /nfs/dbraw/zinc/50/57/56/664505756.db2.gz WXBWQVABZGFPFU-ZJUUUORDSA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001009206918 664505978 /nfs/dbraw/zinc/50/59/78/664505978.db2.gz ZYBGRXZUVCJFCC-UWVGGRQHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009188175 664505986 /nfs/dbraw/zinc/50/59/86/664505986.db2.gz MLYHGZFHNVCACX-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001009382397 664507518 /nfs/dbraw/zinc/50/75/18/664507518.db2.gz KQUSWCZZPJHFCZ-CMPLNLGQSA-N 1 1 311.386 -1.148 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001009446497 664507948 /nfs/dbraw/zinc/50/79/48/664507948.db2.gz VBUSVQGQYNRQDF-GHMZBOCLSA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001009446497 664507949 /nfs/dbraw/zinc/50/79/49/664507949.db2.gz VBUSVQGQYNRQDF-GHMZBOCLSA-N 1 1 320.353 -1.336 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450212 664507966 /nfs/dbraw/zinc/50/79/66/664507966.db2.gz AAULJYPXHHNCIN-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009450212 664507967 /nfs/dbraw/zinc/50/79/67/664507967.db2.gz AAULJYPXHHNCIN-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1=O ZINC001009447612 664508048 /nfs/dbraw/zinc/50/80/48/664508048.db2.gz IOGIZGRBEZCRJT-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009455591 664508069 /nfs/dbraw/zinc/50/80/69/664508069.db2.gz BCFRISIVTISAIA-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009455591 664508072 /nfs/dbraw/zinc/50/80/72/664508072.db2.gz BCFRISIVTISAIA-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009456088 664508290 /nfs/dbraw/zinc/50/82/90/664508290.db2.gz CSINLJDKQSJMGK-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009456088 664508292 /nfs/dbraw/zinc/50/82/92/664508292.db2.gz CSINLJDKQSJMGK-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)nn1 ZINC001009633933 664509117 /nfs/dbraw/zinc/50/91/17/664509117.db2.gz HHUROBKAHISQQQ-NSHDSACASA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009633118 664509251 /nfs/dbraw/zinc/50/92/51/664509251.db2.gz GNRWNHSPVSGRFL-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009632297 664509485 /nfs/dbraw/zinc/50/94/85/664509485.db2.gz DMNDBUQPWPUYHJ-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009764220 664511201 /nfs/dbraw/zinc/51/12/01/664511201.db2.gz SRYLFAAJNXUTRO-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001009764220 664511203 /nfs/dbraw/zinc/51/12/03/664511203.db2.gz SRYLFAAJNXUTRO-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnccn1 ZINC001009968297 664511647 /nfs/dbraw/zinc/51/16/47/664511647.db2.gz NOVLCFIKAZPDIS-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnccn1 ZINC001009968297 664511648 /nfs/dbraw/zinc/51/16/48/664511648.db2.gz NOVLCFIKAZPDIS-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108228 664512741 /nfs/dbraw/zinc/51/27/41/664512741.db2.gz QXUKJLOYQCWEPJ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108228 664512746 /nfs/dbraw/zinc/51/27/46/664512746.db2.gz QXUKJLOYQCWEPJ-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001010091307 664512840 /nfs/dbraw/zinc/51/28/40/664512840.db2.gz ZTAKWEQXYACJRA-WDEREUQCSA-N 1 1 317.357 -1.357 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCOC1 ZINC001010360545 664514689 /nfs/dbraw/zinc/51/46/89/664514689.db2.gz PTGAEMWBQFAOBE-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365136 664515030 /nfs/dbraw/zinc/51/50/30/664515030.db2.gz PPAKLTXQMZUCIB-NEPJUHHUSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365136 664515034 /nfs/dbraw/zinc/51/50/34/664515034.db2.gz PPAKLTXQMZUCIB-NEPJUHHUSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010404810 664515154 /nfs/dbraw/zinc/51/51/54/664515154.db2.gz NMUOBIDEPZLQTO-LLVKDONJSA-N 1 1 321.337 -1.041 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001010394480 664515195 /nfs/dbraw/zinc/51/51/95/664515195.db2.gz SJSXCPCXIYNJLI-SNVBAGLBSA-N 1 1 319.369 -1.112 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010394480 664515197 /nfs/dbraw/zinc/51/51/97/664515197.db2.gz SJSXCPCXIYNJLI-SNVBAGLBSA-N 1 1 319.369 -1.112 20 0 DAADMO Cn1nnnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425068 664515926 /nfs/dbraw/zinc/51/59/26/664515926.db2.gz AHTOHKSDCDYABH-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425068 664515928 /nfs/dbraw/zinc/51/59/28/664515928.db2.gz AHTOHKSDCDYABH-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500706 664516252 /nfs/dbraw/zinc/51/62/52/664516252.db2.gz XGCJUOYEHQVLSF-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500706 664516255 /nfs/dbraw/zinc/51/62/55/664516255.db2.gz XGCJUOYEHQVLSF-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001010670417 664517493 /nfs/dbraw/zinc/51/74/93/664517493.db2.gz QDLVITYJCWHKAI-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001010670417 664517498 /nfs/dbraw/zinc/51/74/98/664517498.db2.gz QDLVITYJCWHKAI-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010677626 664517596 /nfs/dbraw/zinc/51/75/96/664517596.db2.gz YDDJGPUXXINGFS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010677626 664517598 /nfs/dbraw/zinc/51/75/98/664517598.db2.gz YDDJGPUXXINGFS-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010677157 664517642 /nfs/dbraw/zinc/51/76/42/664517642.db2.gz ONKQIGOIVQCJDN-CYBMUJFWSA-N 1 1 308.386 -1.199 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010677630 664517692 /nfs/dbraw/zinc/51/76/92/664517692.db2.gz YDDJGPUXXINGFS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010677630 664517695 /nfs/dbraw/zinc/51/76/95/664517695.db2.gz YDDJGPUXXINGFS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711607 664518858 /nfs/dbraw/zinc/51/88/58/664518858.db2.gz FMJLEURWMOVTEN-SCZZXKLOSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711607 664518860 /nfs/dbraw/zinc/51/88/60/664518860.db2.gz FMJLEURWMOVTEN-SCZZXKLOSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)c1N ZINC001010711396 664518885 /nfs/dbraw/zinc/51/88/85/664518885.db2.gz CLHUDPVGGYCLMC-JTQLQIEISA-N 1 1 321.385 -1.168 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711609 664518982 /nfs/dbraw/zinc/51/89/82/664518982.db2.gz FMJLEURWMOVTEN-WPRPVWTQSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711609 664518986 /nfs/dbraw/zinc/51/89/86/664518986.db2.gz FMJLEURWMOVTEN-WPRPVWTQSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)cc1=O ZINC001010783547 664519447 /nfs/dbraw/zinc/51/94/47/664519447.db2.gz OXXYMJOHCXOEAV-JTQLQIEISA-N 1 1 323.353 -1.192 20 0 DAADMO NC(=O)CC(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001010800017 664519604 /nfs/dbraw/zinc/51/96/04/664519604.db2.gz NAGYTZOACBEDNG-UHFFFAOYSA-N 1 1 312.370 -1.745 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001010817476 664520312 /nfs/dbraw/zinc/52/03/12/664520312.db2.gz RBTNPLHBRWREDM-MWLCHTKSSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001010817476 664520315 /nfs/dbraw/zinc/52/03/15/664520315.db2.gz RBTNPLHBRWREDM-MWLCHTKSSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010828513 664520739 /nfs/dbraw/zinc/52/07/39/664520739.db2.gz XRGHGMWQXIEEBX-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001010843348 664520794 /nfs/dbraw/zinc/52/07/94/664520794.db2.gz WFXUNXCGNXNLFJ-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001010830080 664520989 /nfs/dbraw/zinc/52/09/89/664520989.db2.gz OHOCNCRSLOAUNP-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010830080 664520990 /nfs/dbraw/zinc/52/09/90/664520990.db2.gz OHOCNCRSLOAUNP-JTQLQIEISA-N 1 1 307.358 -1.356 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001010833736 664521046 /nfs/dbraw/zinc/52/10/46/664521046.db2.gz AGOPNQUHVSWXID-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1COC(=O)N1 ZINC001010834479 664521129 /nfs/dbraw/zinc/52/11/29/664521129.db2.gz OTDBJPDEWKQCEJ-NXEZZACHSA-N 1 1 311.342 -1.690 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001010875454 664521530 /nfs/dbraw/zinc/52/15/30/664521530.db2.gz XYHLRWBECFXHHI-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)nn1 ZINC001010875454 664521532 /nfs/dbraw/zinc/52/15/32/664521532.db2.gz XYHLRWBECFXHHI-SECBINFHSA-N 1 1 321.341 -1.829 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001010871394 664521609 /nfs/dbraw/zinc/52/16/09/664521609.db2.gz JWMMIWXEYIVCAY-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001010871394 664521613 /nfs/dbraw/zinc/52/16/13/664521613.db2.gz JWMMIWXEYIVCAY-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)nn1 ZINC001010873019 664521737 /nfs/dbraw/zinc/52/17/37/664521737.db2.gz BGVKFRAWPHNPMF-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001010870201 664521911 /nfs/dbraw/zinc/52/19/11/664521911.db2.gz ATWRLYHWMPCJQD-LBPRGKRZSA-N 1 1 322.369 -1.721 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001010870201 664521919 /nfs/dbraw/zinc/52/19/19/664521919.db2.gz ATWRLYHWMPCJQD-LBPRGKRZSA-N 1 1 322.369 -1.721 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876898 664522127 /nfs/dbraw/zinc/52/21/27/664522127.db2.gz MRYJJMZYOBECSQ-VHSXEESVSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876898 664522129 /nfs/dbraw/zinc/52/21/29/664522129.db2.gz MRYJJMZYOBECSQ-VHSXEESVSA-N 1 1 321.337 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001010871396 664522143 /nfs/dbraw/zinc/52/21/43/664522143.db2.gz JWMMIWXEYIVCAY-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001010871396 664522144 /nfs/dbraw/zinc/52/21/44/664522144.db2.gz JWMMIWXEYIVCAY-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1nncc1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001010879498 664522218 /nfs/dbraw/zinc/52/22/18/664522218.db2.gz ZDYNDISFPFNFPP-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1nncc1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001010879498 664522223 /nfs/dbraw/zinc/52/22/23/664522223.db2.gz ZDYNDISFPFNFPP-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876901 664522266 /nfs/dbraw/zinc/52/22/66/664522266.db2.gz MRYJJMZYOBECSQ-ZJUUUORDSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)o1 ZINC001010876901 664522272 /nfs/dbraw/zinc/52/22/72/664522272.db2.gz MRYJJMZYOBECSQ-ZJUUUORDSA-N 1 1 321.337 -1.084 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001011158667 664526624 /nfs/dbraw/zinc/52/66/24/664526624.db2.gz CCYMQHTWDNAIRX-NSHDSACASA-N 1 1 307.358 -1.704 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001011163712 664527091 /nfs/dbraw/zinc/52/70/91/664527091.db2.gz ZZLAGMGSUGBZMO-UHFFFAOYSA-N 1 1 318.341 -1.300 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC001011282888 664528415 /nfs/dbraw/zinc/52/84/15/664528415.db2.gz OCDLPEVFNYREAH-UHFFFAOYSA-N 1 1 321.385 -1.021 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001011575444 664531394 /nfs/dbraw/zinc/53/13/94/664531394.db2.gz PNABMOBZQBCXAW-NSHDSACASA-N 1 1 320.353 -1.456 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001011646205 664532413 /nfs/dbraw/zinc/53/24/13/664532413.db2.gz NUDFDWNJLLABKV-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001012290987 664541092 /nfs/dbraw/zinc/54/10/92/664541092.db2.gz RBFGAITZFBNOLG-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C(N)=O ZINC001013974668 664550887 /nfs/dbraw/zinc/55/08/87/664550887.db2.gz IOAGNHLCSIRPSM-DTWKUNHWSA-N 1 1 323.353 -1.059 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001013981846 664551297 /nfs/dbraw/zinc/55/12/97/664551297.db2.gz AVYTZTPOOAEKAU-AIXFRAIASA-N 1 1 324.381 -1.654 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001013981846 664551298 /nfs/dbraw/zinc/55/12/98/664551298.db2.gz AVYTZTPOOAEKAU-AIXFRAIASA-N 1 1 324.381 -1.654 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397761 664553436 /nfs/dbraw/zinc/55/34/36/664553436.db2.gz RLDACFYZBBTEAA-NXEZZACHSA-N 1 1 320.353 -1.349 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397761 664553438 /nfs/dbraw/zinc/55/34/38/664553438.db2.gz RLDACFYZBBTEAA-NXEZZACHSA-N 1 1 320.353 -1.349 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392236 664553443 /nfs/dbraw/zinc/55/34/43/664553443.db2.gz DMFXEKVXBRHYNV-RYUDHWBXSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392236 664553445 /nfs/dbraw/zinc/55/34/45/664553445.db2.gz DMFXEKVXBRHYNV-RYUDHWBXSA-N 1 1 319.365 -1.042 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397767 664553672 /nfs/dbraw/zinc/55/36/72/664553672.db2.gz RLDACFYZBBTEAA-UWVGGRQHSA-N 1 1 320.353 -1.349 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]1 ZINC001014397767 664553674 /nfs/dbraw/zinc/55/36/74/664553674.db2.gz RLDACFYZBBTEAA-UWVGGRQHSA-N 1 1 320.353 -1.349 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392230 664553677 /nfs/dbraw/zinc/55/36/77/664553677.db2.gz DMFXEKVXBRHYNV-NEPJUHHUSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392230 664553679 /nfs/dbraw/zinc/55/36/79/664553679.db2.gz DMFXEKVXBRHYNV-NEPJUHHUSA-N 1 1 319.365 -1.042 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441095 664554708 /nfs/dbraw/zinc/55/47/08/664554708.db2.gz YIUFVTXKHZILBV-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441095 664554709 /nfs/dbraw/zinc/55/47/09/664554709.db2.gz YIUFVTXKHZILBV-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447661 664555005 /nfs/dbraw/zinc/55/50/05/664555005.db2.gz QGOIGSLCYWTVBW-NEPJUHHUSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014447661 664555006 /nfs/dbraw/zinc/55/50/06/664555006.db2.gz QGOIGSLCYWTVBW-NEPJUHHUSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014445945 664555021 /nfs/dbraw/zinc/55/50/21/664555021.db2.gz DNRTYQOKCTXVCY-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014445945 664555022 /nfs/dbraw/zinc/55/50/22/664555022.db2.gz DNRTYQOKCTXVCY-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504860 664555249 /nfs/dbraw/zinc/55/52/49/664555249.db2.gz YPPCOIJBCQYDAR-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504860 664555251 /nfs/dbraw/zinc/55/52/51/664555251.db2.gz YPPCOIJBCQYDAR-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014500179 664555290 /nfs/dbraw/zinc/55/52/90/664555290.db2.gz GZNNNZNDNZPDGY-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC001014507840 664555438 /nfs/dbraw/zinc/55/54/38/664555438.db2.gz LMCJFMDDBIPWPH-WDEREUQCSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014489258 664555482 /nfs/dbraw/zinc/55/54/82/664555482.db2.gz BYUOJMGIYMUUDS-IUCAKERBSA-N 1 1 321.341 -2.544 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001014489258 664555485 /nfs/dbraw/zinc/55/54/85/664555485.db2.gz BYUOJMGIYMUUDS-IUCAKERBSA-N 1 1 321.341 -2.544 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014507604 664555579 /nfs/dbraw/zinc/55/55/79/664555579.db2.gz KFIIPLVIOYDNAT-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001014570073 664555737 /nfs/dbraw/zinc/55/57/37/664555737.db2.gz DBFMVTVSMMPUFZ-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014574072 664556000 /nfs/dbraw/zinc/55/60/00/664556000.db2.gz PJZGVZSWOCPSRU-JTQLQIEISA-N 1 1 321.341 -1.980 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614072 664556367 /nfs/dbraw/zinc/55/63/67/664556367.db2.gz DIUXZDXBCPLJCT-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614072 664556369 /nfs/dbraw/zinc/55/63/69/664556369.db2.gz DIUXZDXBCPLJCT-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014703852 664556607 /nfs/dbraw/zinc/55/66/07/664556607.db2.gz DWPIOQFNUWTEAU-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001014643261 664556628 /nfs/dbraw/zinc/55/66/28/664556628.db2.gz MZRDZCAMGAFQPZ-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014703854 664556801 /nfs/dbraw/zinc/55/68/01/664556801.db2.gz DWPIOQFNUWTEAU-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014630077 664556837 /nfs/dbraw/zinc/55/68/37/664556837.db2.gz MLNFMYHQJKPSOL-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014706646 664556874 /nfs/dbraw/zinc/55/68/74/664556874.db2.gz QLAFEUKTHHWVER-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001014706648 664556903 /nfs/dbraw/zinc/55/69/03/664556903.db2.gz QLAFEUKTHHWVER-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643293 664556959 /nfs/dbraw/zinc/55/69/59/664556959.db2.gz NNFXZFRUOKQGKF-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739267 664557002 /nfs/dbraw/zinc/55/70/02/664557002.db2.gz DFQJFKLTTIOBFG-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739267 664557004 /nfs/dbraw/zinc/55/70/04/664557004.db2.gz DFQJFKLTTIOBFG-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740229 664557107 /nfs/dbraw/zinc/55/71/07/664557107.db2.gz JJKVCOIKRACTNY-LBPRGKRZSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014740229 664557110 /nfs/dbraw/zinc/55/71/10/664557110.db2.gz JJKVCOIKRACTNY-LBPRGKRZSA-N 1 1 321.381 -1.031 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001014742388 664557129 /nfs/dbraw/zinc/55/71/29/664557129.db2.gz SQWATUHHTVAAHC-CYBMUJFWSA-N 1 1 321.381 -1.068 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014742810 664557329 /nfs/dbraw/zinc/55/73/29/664557329.db2.gz WCKQUWIIYPOOSW-WDEREUQCSA-N 1 1 310.354 -2.076 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014742810 664557330 /nfs/dbraw/zinc/55/73/30/664557330.db2.gz WCKQUWIIYPOOSW-WDEREUQCSA-N 1 1 310.354 -2.076 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739818 664557356 /nfs/dbraw/zinc/55/73/56/664557356.db2.gz GGMGWJKOMPPWRB-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014739818 664557358 /nfs/dbraw/zinc/55/73/58/664557358.db2.gz GGMGWJKOMPPWRB-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797416 664557537 /nfs/dbraw/zinc/55/75/37/664557537.db2.gz RRQUAEBLPWHCIJ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797416 664557540 /nfs/dbraw/zinc/55/75/40/664557540.db2.gz RRQUAEBLPWHCIJ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001014785045 664557588 /nfs/dbraw/zinc/55/75/88/664557588.db2.gz LAUIUABOUHQVEG-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001014785045 664557589 /nfs/dbraw/zinc/55/75/89/664557589.db2.gz LAUIUABOUHQVEG-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797413 664557815 /nfs/dbraw/zinc/55/78/15/664557815.db2.gz RRQUAEBLPWHCIJ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(=O)n(C)cn3)C2)C1=O ZINC001014797413 664557817 /nfs/dbraw/zinc/55/78/17/664557817.db2.gz RRQUAEBLPWHCIJ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001014784015 664557842 /nfs/dbraw/zinc/55/78/42/664557842.db2.gz HRIHQBPGVVYRDZ-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001014784015 664557844 /nfs/dbraw/zinc/55/78/44/664557844.db2.gz HRIHQBPGVVYRDZ-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1=O ZINC001014792261 664557869 /nfs/dbraw/zinc/55/78/69/664557869.db2.gz JIDCSIRCEKADRK-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)cc1=O ZINC001014792261 664557871 /nfs/dbraw/zinc/55/78/71/664557871.db2.gz JIDCSIRCEKADRK-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874138 664558007 /nfs/dbraw/zinc/55/80/07/664558007.db2.gz KFRQBYWVHMQTRR-WCBMZHEXSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874138 664558009 /nfs/dbraw/zinc/55/80/09/664558009.db2.gz KFRQBYWVHMQTRR-WCBMZHEXSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001014861287 664558091 /nfs/dbraw/zinc/55/80/91/664558091.db2.gz UDSDORDSQRYCHD-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840221 664558279 /nfs/dbraw/zinc/55/82/79/664558279.db2.gz QJJYQFDFHMNOTE-NXEZZACHSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840221 664558281 /nfs/dbraw/zinc/55/82/81/664558281.db2.gz QJJYQFDFHMNOTE-NXEZZACHSA-N 1 1 319.321 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)O1 ZINC001014922451 664558477 /nfs/dbraw/zinc/55/84/77/664558477.db2.gz CCVDBEDEOOVNNW-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)O1 ZINC001014922451 664558481 /nfs/dbraw/zinc/55/84/81/664558481.db2.gz CCVDBEDEOOVNNW-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003298 664559033 /nfs/dbraw/zinc/55/90/33/664559033.db2.gz HGMBXHUGPAVDKI-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003298 664559034 /nfs/dbraw/zinc/55/90/34/664559034.db2.gz HGMBXHUGPAVDKI-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1=O ZINC001015006300 664559066 /nfs/dbraw/zinc/55/90/66/664559066.db2.gz BGCXNUDEVYJAFN-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1=O ZINC001015006300 664559067 /nfs/dbraw/zinc/55/90/67/664559067.db2.gz BGCXNUDEVYJAFN-NEPJUHHUSA-N 1 1 323.397 -2.161 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)c1=O ZINC001015004914 664559069 /nfs/dbraw/zinc/55/90/69/664559069.db2.gz SRMZMVNXPSNZCN-NSHDSACASA-N 1 1 320.357 -1.936 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)c1=O ZINC001015004913 664559077 /nfs/dbraw/zinc/55/90/77/664559077.db2.gz SRMZMVNXPSNZCN-LLVKDONJSA-N 1 1 320.357 -1.936 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003299 664559131 /nfs/dbraw/zinc/55/91/31/664559131.db2.gz HGMBXHUGPAVDKI-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003299 664559134 /nfs/dbraw/zinc/55/91/34/664559134.db2.gz HGMBXHUGPAVDKI-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001015006306 664559587 /nfs/dbraw/zinc/55/95/87/664559587.db2.gz BGCXNUDEVYJAFN-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1=O ZINC001015006306 664559590 /nfs/dbraw/zinc/55/95/90/664559590.db2.gz BGCXNUDEVYJAFN-VXGBXAGGSA-N 1 1 323.397 -2.161 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)NC1 ZINC001015051294 664560018 /nfs/dbraw/zinc/56/00/18/664560018.db2.gz ZTFLGBCDPGBZHN-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015087755 664560319 /nfs/dbraw/zinc/56/03/19/664560319.db2.gz LSAWBXBXSCRQGH-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015087755 664560321 /nfs/dbraw/zinc/56/03/21/664560321.db2.gz LSAWBXBXSCRQGH-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015082015 664560346 /nfs/dbraw/zinc/56/03/46/664560346.db2.gz TXGCEHGURNOSES-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015082015 664560348 /nfs/dbraw/zinc/56/03/48/664560348.db2.gz TXGCEHGURNOSES-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139979 664560815 /nfs/dbraw/zinc/56/08/15/664560815.db2.gz NUZHFOOOISMBKC-UWVGGRQHSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139979 664560818 /nfs/dbraw/zinc/56/08/18/664560818.db2.gz NUZHFOOOISMBKC-UWVGGRQHSA-N 1 1 323.353 -1.726 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015130348 664561034 /nfs/dbraw/zinc/56/10/34/664561034.db2.gz ZIPTYJDXGUINCB-GHMZBOCLSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015130348 664561035 /nfs/dbraw/zinc/56/10/35/664561035.db2.gz ZIPTYJDXGUINCB-GHMZBOCLSA-N 1 1 319.365 -1.183 20 0 DAADMO NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015323872 664561848 /nfs/dbraw/zinc/56/18/48/664561848.db2.gz LUAQVNYRDVVNOF-OOLXCHQQSA-N 1 1 308.382 -1.475 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326406 664562043 /nfs/dbraw/zinc/56/20/43/664562043.db2.gz ZOAMMUAKNSCKHL-WULFKBJJSA-N 1 1 322.409 -1.214 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)ncc1=O ZINC001015330717 664562254 /nfs/dbraw/zinc/56/22/54/664562254.db2.gz UPRUVUFAMUXLQE-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)ncc1=O ZINC001015330717 664562256 /nfs/dbraw/zinc/56/22/56/664562256.db2.gz UPRUVUFAMUXLQE-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347769 664562306 /nfs/dbraw/zinc/56/23/06/664562306.db2.gz HFQPLTWAYSAKGK-UWVGGRQHSA-N 1 1 303.384 -1.502 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347769 664562308 /nfs/dbraw/zinc/56/23/08/664562308.db2.gz HFQPLTWAYSAKGK-UWVGGRQHSA-N 1 1 303.384 -1.502 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CNC(=O)C1 ZINC001015373695 664562351 /nfs/dbraw/zinc/56/23/51/664562351.db2.gz UEFPUMDDLFRCRO-SMDDNHRTSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CNC(=O)C1 ZINC001015374187 664562467 /nfs/dbraw/zinc/56/24/67/664562467.db2.gz ANBBVJYRSLOMDP-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)CNC(=O)C1 ZINC001015373688 664562496 /nfs/dbraw/zinc/56/24/96/664562496.db2.gz UEFPUMDDLFRCRO-BXUZGUMPSA-N 1 1 306.370 -1.005 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001015329954 664562604 /nfs/dbraw/zinc/56/26/04/664562604.db2.gz NZBVFYIHMXSCRE-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001015329954 664562605 /nfs/dbraw/zinc/56/26/05/664562605.db2.gz NZBVFYIHMXSCRE-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015349577 664562678 /nfs/dbraw/zinc/56/26/78/664562678.db2.gz XSLDBVVFQCPLCX-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)nn1-c1nc[nH]n1 ZINC001015454319 664563179 /nfs/dbraw/zinc/56/31/79/664563179.db2.gz CHKCGWQQMRRPRL-JTQLQIEISA-N 1 1 320.357 -1.120 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015507421 664563412 /nfs/dbraw/zinc/56/34/12/664563412.db2.gz CRXJMPIPLROTSR-GFCCVEGCSA-N 1 1 321.385 -2.100 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501425 664563420 /nfs/dbraw/zinc/56/34/20/664563420.db2.gz AHRQVFOLHZHQRN-NWDGAFQWSA-N 1 1 324.381 -1.828 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCOCC1 ZINC001015501425 664563421 /nfs/dbraw/zinc/56/34/21/664563421.db2.gz AHRQVFOLHZHQRN-NWDGAFQWSA-N 1 1 324.381 -1.828 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015487300 664563589 /nfs/dbraw/zinc/56/35/89/664563589.db2.gz LHGHDKQAEOLTTQ-PSASIEDQSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015487300 664563591 /nfs/dbraw/zinc/56/35/91/664563591.db2.gz LHGHDKQAEOLTTQ-PSASIEDQSA-N 1 1 321.337 -1.822 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508123 664563609 /nfs/dbraw/zinc/56/36/09/664563609.db2.gz GWYXMECJRPIVOG-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508123 664563610 /nfs/dbraw/zinc/56/36/10/664563610.db2.gz GWYXMECJRPIVOG-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508178 664563661 /nfs/dbraw/zinc/56/36/61/664563661.db2.gz HPOGKAUBRBRICH-GFCCVEGCSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508178 664563663 /nfs/dbraw/zinc/56/36/63/664563663.db2.gz HPOGKAUBRBRICH-GFCCVEGCSA-N 1 1 320.397 -1.458 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001015510031 664563859 /nfs/dbraw/zinc/56/38/59/664563859.db2.gz KYMCWSMRPAMNHI-GHMZBOCLSA-N 1 1 309.370 -1.662 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509679 664563896 /nfs/dbraw/zinc/56/38/96/664563896.db2.gz PUGDSMUMCBBCCQ-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509679 664563904 /nfs/dbraw/zinc/56/39/04/664563904.db2.gz PUGDSMUMCBBCCQ-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001015511647 664563939 /nfs/dbraw/zinc/56/39/39/664563939.db2.gz WZQFFEKXMSFFJY-CHWSQXEVSA-N 1 1 310.398 -1.355 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)NC1=O ZINC001015511753 664563983 /nfs/dbraw/zinc/56/39/83/664563983.db2.gz YMMKCHZRNWVSMW-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001015510040 664564093 /nfs/dbraw/zinc/56/40/93/664564093.db2.gz KYMCWSMRPAMNHI-QWRGUYRKSA-N 1 1 309.370 -1.662 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510178 664564126 /nfs/dbraw/zinc/56/41/26/664564126.db2.gz ROTQZZRKBIWNHJ-GFCCVEGCSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510178 664564127 /nfs/dbraw/zinc/56/41/27/664564127.db2.gz ROTQZZRKBIWNHJ-GFCCVEGCSA-N 1 1 320.397 -1.458 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CCNC1=O ZINC001015516131 664564221 /nfs/dbraw/zinc/56/42/21/664564221.db2.gz ANCGMYNXAMVFRL-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001015548397 664564401 /nfs/dbraw/zinc/56/44/01/664564401.db2.gz CMLPYNSBIAXMHI-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001015548397 664564402 /nfs/dbraw/zinc/56/44/02/664564402.db2.gz CMLPYNSBIAXMHI-LLVKDONJSA-N 1 1 319.373 -1.077 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513832 664564425 /nfs/dbraw/zinc/56/44/25/664564425.db2.gz KZXCZKPVBCTRPA-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001015513832 664564426 /nfs/dbraw/zinc/56/44/26/664564426.db2.gz KZXCZKPVBCTRPA-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015551764 664564814 /nfs/dbraw/zinc/56/48/14/664564814.db2.gz WADJAXHVJKQBRE-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)n1 ZINC001015551387 664564897 /nfs/dbraw/zinc/56/48/97/664564897.db2.gz URYQEIYPTPKKMP-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001015554619 664565140 /nfs/dbraw/zinc/56/51/40/664565140.db2.gz OYHVFIIHRPBHTN-QWRGUYRKSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001015554620 664565283 /nfs/dbraw/zinc/56/52/83/664565283.db2.gz OYHVFIIHRPBHTN-WDEREUQCSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCCC3=O)C2)n1 ZINC001015554623 664565341 /nfs/dbraw/zinc/56/53/41/664565341.db2.gz PCBOBLQYDNQOBO-JTQLQIEISA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)n1 ZINC001015554623 664565343 /nfs/dbraw/zinc/56/53/43/664565343.db2.gz PCBOBLQYDNQOBO-JTQLQIEISA-N 1 1 307.358 -1.363 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622413 664565644 /nfs/dbraw/zinc/56/56/44/664565644.db2.gz GXMUMIZJIRSNSB-KOLCDFICSA-N 1 1 305.338 -1.195 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622413 664565646 /nfs/dbraw/zinc/56/56/46/664565646.db2.gz GXMUMIZJIRSNSB-KOLCDFICSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015571442 664565669 /nfs/dbraw/zinc/56/56/69/664565669.db2.gz XLGCCVMUOYTRLI-DCQANWLSSA-N 1 1 322.365 -1.379 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622417 664565819 /nfs/dbraw/zinc/56/58/19/664565819.db2.gz GXMUMIZJIRSNSB-ONGXEEELSA-N 1 1 305.338 -1.195 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)C1=O ZINC001015622417 664565820 /nfs/dbraw/zinc/56/58/20/664565820.db2.gz GXMUMIZJIRSNSB-ONGXEEELSA-N 1 1 305.338 -1.195 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015623212 664565950 /nfs/dbraw/zinc/56/59/50/664565950.db2.gz QKPRHJVNNUEXSR-JTQLQIEISA-N 1 1 320.353 -1.401 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)N1CCC1 ZINC001015626129 664565992 /nfs/dbraw/zinc/56/59/92/664565992.db2.gz HYVDTEJAELOYAX-JTQLQIEISA-N 1 1 305.338 -1.194 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)N1CCC1 ZINC001015626129 664565993 /nfs/dbraw/zinc/56/59/93/664565993.db2.gz HYVDTEJAELOYAX-JTQLQIEISA-N 1 1 305.338 -1.194 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633191 664566076 /nfs/dbraw/zinc/56/60/76/664566076.db2.gz DLRHOPMRKUWMKK-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633191 664566079 /nfs/dbraw/zinc/56/60/79/664566079.db2.gz DLRHOPMRKUWMKK-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633190 664566216 /nfs/dbraw/zinc/56/62/16/664566216.db2.gz DLRHOPMRKUWMKK-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCCC1 ZINC001015633190 664566217 /nfs/dbraw/zinc/56/62/17/664566217.db2.gz DLRHOPMRKUWMKK-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015633848 664566252 /nfs/dbraw/zinc/56/62/52/664566252.db2.gz JKRMHKXYSYHKPC-JQWIXIFHSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015635563 664566364 /nfs/dbraw/zinc/56/63/64/664566364.db2.gz USZICSOBCRDDQD-NXEZZACHSA-N 1 1 310.358 -2.117 20 0 DAADMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC001015640463 664566442 /nfs/dbraw/zinc/56/64/42/664566442.db2.gz NZOCESILXDSVCX-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001015640442 664566465 /nfs/dbraw/zinc/56/64/65/664566465.db2.gz NQHRYXVUFPECRZ-SECBINFHSA-N 1 1 309.374 -1.354 20 0 DAADMO CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)n1 ZINC001015640442 664566467 /nfs/dbraw/zinc/56/64/67/664566467.db2.gz NQHRYXVUFPECRZ-SECBINFHSA-N 1 1 309.374 -1.354 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001015638273 664566516 /nfs/dbraw/zinc/56/65/16/664566516.db2.gz VMLMVYAAJMULDV-VHSXEESVSA-N 1 1 323.353 -1.993 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001015635675 664566536 /nfs/dbraw/zinc/56/65/36/664566536.db2.gz VNAMXJRMXQXZNI-NEPJUHHUSA-N 1 1 321.385 -1.233 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015635566 664566594 /nfs/dbraw/zinc/56/65/94/664566594.db2.gz USZICSOBCRDDQD-ZJUUUORDSA-N 1 1 310.358 -2.117 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695610 664566804 /nfs/dbraw/zinc/56/68/04/664566804.db2.gz LWBAAZJDAILBDQ-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695610 664566806 /nfs/dbraw/zinc/56/68/06/664566806.db2.gz LWBAAZJDAILBDQ-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695609 664566841 /nfs/dbraw/zinc/56/68/41/664566841.db2.gz LWBAAZJDAILBDQ-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695609 664566843 /nfs/dbraw/zinc/56/68/43/664566843.db2.gz LWBAAZJDAILBDQ-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658554 664566913 /nfs/dbraw/zinc/56/69/13/664566913.db2.gz PPRVAAOYPRPWPH-WPRPVWTQSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001015658554 664566917 /nfs/dbraw/zinc/56/69/17/664566917.db2.gz PPRVAAOYPRPWPH-WPRPVWTQSA-N 1 1 321.337 -1.265 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)O1 ZINC001015697170 664566955 /nfs/dbraw/zinc/56/69/55/664566955.db2.gz MDFZZTYPQPENFF-SDDRHHMPSA-N 1 1 322.369 -1.499 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015763556 664567237 /nfs/dbraw/zinc/56/72/37/664567237.db2.gz AKBFCJDGWQTWFP-KOLCDFICSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015763556 664567240 /nfs/dbraw/zinc/56/72/40/664567240.db2.gz AKBFCJDGWQTWFP-KOLCDFICSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015761801 664567315 /nfs/dbraw/zinc/56/73/15/664567315.db2.gz MMAVDEOXTLZVCW-JTQLQIEISA-N 1 1 320.353 -1.306 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001015709880 664567350 /nfs/dbraw/zinc/56/73/50/664567350.db2.gz BMIXXAALUKDUSC-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015713989 664567381 /nfs/dbraw/zinc/56/73/81/664567381.db2.gz VJICUHRRXPUAQG-MXWKQRLJSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015763554 664567418 /nfs/dbraw/zinc/56/74/18/664567418.db2.gz AKBFCJDGWQTWFP-GXSJLCMTSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015763554 664567423 /nfs/dbraw/zinc/56/74/23/664567423.db2.gz AKBFCJDGWQTWFP-GXSJLCMTSA-N 1 1 305.338 -1.052 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001015711864 664567478 /nfs/dbraw/zinc/56/74/78/664567478.db2.gz SALJKHCQOZVUIA-WCQGTBRESA-N 1 1 308.382 -1.081 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CC1 ZINC001015711864 664567480 /nfs/dbraw/zinc/56/74/80/664567480.db2.gz SALJKHCQOZVUIA-WCQGTBRESA-N 1 1 308.382 -1.081 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788870 664567732 /nfs/dbraw/zinc/56/77/32/664567732.db2.gz LQOSWKOBMOUZPG-WDEREUQCSA-N 1 1 324.381 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788036 664567775 /nfs/dbraw/zinc/56/77/75/664567775.db2.gz AFPMFKCAPWMNQO-BDAKNGLRSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788036 664567777 /nfs/dbraw/zinc/56/77/77/664567777.db2.gz AFPMFKCAPWMNQO-BDAKNGLRSA-N 1 1 323.353 -2.238 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015770451 664567832 /nfs/dbraw/zinc/56/78/32/664567832.db2.gz PWHJWTQRGKINHR-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001015773279 664567854 /nfs/dbraw/zinc/56/78/54/664567854.db2.gz HGRZWJOVEMNITE-MNOVXSKESA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001015773279 664567856 /nfs/dbraw/zinc/56/78/56/664567856.db2.gz HGRZWJOVEMNITE-MNOVXSKESA-N 1 1 320.353 -1.291 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015788829 664567863 /nfs/dbraw/zinc/56/78/63/664567863.db2.gz KFTLLTZVOLQPIQ-JTQLQIEISA-N 1 1 306.326 -1.926 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015816322 664568246 /nfs/dbraw/zinc/56/82/46/664568246.db2.gz XAXNXGZQIKEGPG-QWRGUYRKSA-N 1 1 321.385 -1.125 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015816322 664568247 /nfs/dbraw/zinc/56/82/47/664568247.db2.gz XAXNXGZQIKEGPG-QWRGUYRKSA-N 1 1 321.385 -1.125 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C1)C1(n2cnnn2)CCOCC1 ZINC001015822842 664568323 /nfs/dbraw/zinc/56/83/23/664568323.db2.gz MWSNRWUSQGZBFW-LLVKDONJSA-N 1 1 310.358 -1.638 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001015831858 664568451 /nfs/dbraw/zinc/56/84/51/664568451.db2.gz FXCXSIXETMLRAR-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C1)C1(n2cnnn2)CCOCC1 ZINC001015821977 664568457 /nfs/dbraw/zinc/56/84/57/664568457.db2.gz CRISUYWEPRDWAA-LBPRGKRZSA-N 1 1 324.385 -1.248 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCCF)C2)C1=O ZINC001015790495 664568471 /nfs/dbraw/zinc/56/84/71/664568471.db2.gz MAJZVFAFRUWILV-SECBINFHSA-N 1 1 314.317 -1.043 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836492 664568476 /nfs/dbraw/zinc/56/84/76/664568476.db2.gz HNKIVKPCQUANEU-VHSXEESVSA-N 1 1 308.338 -1.882 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015836492 664568477 /nfs/dbraw/zinc/56/84/77/664568477.db2.gz HNKIVKPCQUANEU-VHSXEESVSA-N 1 1 308.338 -1.882 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001015825083 664568514 /nfs/dbraw/zinc/56/85/14/664568514.db2.gz CVOLCGPTUZIAHI-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822867 664568521 /nfs/dbraw/zinc/56/85/21/664568521.db2.gz NDYRJSSKMNXUJM-VXGBXAGGSA-N 1 1 324.385 -1.250 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCCF)C2)C1=O ZINC001015790496 664568576 /nfs/dbraw/zinc/56/85/76/664568576.db2.gz MAJZVFAFRUWILV-VIFPVBQESA-N 1 1 314.317 -1.043 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842976 664568683 /nfs/dbraw/zinc/56/86/83/664568683.db2.gz URILEZXEJLFTHN-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842976 664568684 /nfs/dbraw/zinc/56/86/84/664568684.db2.gz URILEZXEJLFTHN-QWRGUYRKSA-N 1 1 322.365 -1.540 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864951 664568745 /nfs/dbraw/zinc/56/87/45/664568745.db2.gz MHFAEINGGPCZAH-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864951 664568747 /nfs/dbraw/zinc/56/87/47/664568747.db2.gz MHFAEINGGPCZAH-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001015837029 664568753 /nfs/dbraw/zinc/56/87/53/664568753.db2.gz TYIAKKRZKLFDJN-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001015837029 664568756 /nfs/dbraw/zinc/56/87/56/664568756.db2.gz TYIAKKRZKLFDJN-JTQLQIEISA-N 1 1 318.337 -1.015 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001015865198 664568949 /nfs/dbraw/zinc/56/89/49/664568949.db2.gz SSXUTDPHYNKLDJ-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842471 664568972 /nfs/dbraw/zinc/56/89/72/664568972.db2.gz MSNUTUKEYZASKS-ONGXEEELSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842471 664568973 /nfs/dbraw/zinc/56/89/73/664568973.db2.gz MSNUTUKEYZASKS-ONGXEEELSA-N 1 1 324.381 -1.294 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015837104 664569037 /nfs/dbraw/zinc/56/90/37/664569037.db2.gz MJCIAYKHRYSWFQ-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015837104 664569039 /nfs/dbraw/zinc/56/90/39/664569039.db2.gz MJCIAYKHRYSWFQ-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015905494 664569312 /nfs/dbraw/zinc/56/93/12/664569312.db2.gz OVKYECLGZFZOQM-UWVGGRQHSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015905494 664569313 /nfs/dbraw/zinc/56/93/13/664569313.db2.gz OVKYECLGZFZOQM-UWVGGRQHSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccncn1 ZINC001015877677 664569338 /nfs/dbraw/zinc/56/93/38/664569338.db2.gz OFPVYGMXPOURNA-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccncn1 ZINC001015877677 664569339 /nfs/dbraw/zinc/56/93/39/664569339.db2.gz OFPVYGMXPOURNA-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001015871105 664569354 /nfs/dbraw/zinc/56/93/54/664569354.db2.gz HGLMXQIAVFFBEL-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001015871105 664569355 /nfs/dbraw/zinc/56/93/55/664569355.db2.gz HGLMXQIAVFFBEL-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001015871105 664569356 /nfs/dbraw/zinc/56/93/56/664569356.db2.gz HGLMXQIAVFFBEL-SECBINFHSA-N 1 1 321.341 -1.449 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)ccc1=O ZINC001015867507 664569418 /nfs/dbraw/zinc/56/94/18/664569418.db2.gz DHGIGZVAZSHGKY-NXEZZACHSA-N 1 1 307.354 -1.059 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)ccc1=O ZINC001015867507 664569419 /nfs/dbraw/zinc/56/94/19/664569419.db2.gz DHGIGZVAZSHGKY-NXEZZACHSA-N 1 1 307.354 -1.059 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015865283 664569517 /nfs/dbraw/zinc/56/95/17/664569517.db2.gz VDGOUXNPNBCPCS-SNVBAGLBSA-N 1 1 321.341 -1.980 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015923740 664569768 /nfs/dbraw/zinc/56/97/68/664569768.db2.gz AZEKZNIUMXHBNK-GXSJLCMTSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015923740 664569771 /nfs/dbraw/zinc/56/97/71/664569771.db2.gz AZEKZNIUMXHBNK-GXSJLCMTSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910044 664569777 /nfs/dbraw/zinc/56/97/77/664569777.db2.gz KQBPMEJSTPZXAK-VXGBXAGGSA-N 1 1 321.381 -1.076 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910044 664569780 /nfs/dbraw/zinc/56/97/80/664569780.db2.gz KQBPMEJSTPZXAK-VXGBXAGGSA-N 1 1 321.381 -1.076 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951344 664570115 /nfs/dbraw/zinc/57/01/15/664570115.db2.gz LXLFQMHWZLEQGA-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951344 664570116 /nfs/dbraw/zinc/57/01/16/664570116.db2.gz LXLFQMHWZLEQGA-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015949177 664570135 /nfs/dbraw/zinc/57/01/35/664570135.db2.gz LGFZEKWWCHTDID-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015949177 664570136 /nfs/dbraw/zinc/57/01/36/664570136.db2.gz LGFZEKWWCHTDID-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015967304 664570154 /nfs/dbraw/zinc/57/01/54/664570154.db2.gz GMWMZWXLDPKQAC-BDAKNGLRSA-N 1 1 306.326 -1.657 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015967304 664570155 /nfs/dbraw/zinc/57/01/55/664570155.db2.gz GMWMZWXLDPKQAC-BDAKNGLRSA-N 1 1 306.326 -1.657 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001015907256 664570163 /nfs/dbraw/zinc/57/01/63/664570163.db2.gz GENHIBIIAQVCMV-ONGXEEELSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001015907256 664570164 /nfs/dbraw/zinc/57/01/64/664570164.db2.gz GENHIBIIAQVCMV-ONGXEEELSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001015907251 664570166 /nfs/dbraw/zinc/57/01/66/664570166.db2.gz GENHIBIIAQVCMV-GXSJLCMTSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001015907251 664570167 /nfs/dbraw/zinc/57/01/67/664570167.db2.gz GENHIBIIAQVCMV-GXSJLCMTSA-N 1 1 305.338 -1.194 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001015986349 664570305 /nfs/dbraw/zinc/57/03/05/664570305.db2.gz JLWQFSOILDXGLC-VIFPVBQESA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001015986349 664570306 /nfs/dbraw/zinc/57/03/06/664570306.db2.gz JLWQFSOILDXGLC-VIFPVBQESA-N 1 1 318.337 -1.015 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001016058015 664570413 /nfs/dbraw/zinc/57/04/13/664570413.db2.gz OIAJOLWLCQRDIP-RYUDHWBXSA-N 1 1 319.365 -1.369 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001016058015 664570414 /nfs/dbraw/zinc/57/04/14/664570414.db2.gz OIAJOLWLCQRDIP-RYUDHWBXSA-N 1 1 319.365 -1.369 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056147 664570699 /nfs/dbraw/zinc/57/06/99/664570699.db2.gz FXPAMDDBVVRTNN-NEPJUHHUSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016056147 664570702 /nfs/dbraw/zinc/57/07/02/664570702.db2.gz FXPAMDDBVVRTNN-NEPJUHHUSA-N 1 1 321.381 -1.123 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015970897 664570728 /nfs/dbraw/zinc/57/07/28/664570728.db2.gz VPXCWIQOVVSKDO-SNVBAGLBSA-N 1 1 320.353 -1.313 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988510 664570830 /nfs/dbraw/zinc/57/08/30/664570830.db2.gz ZOPNCQFBDNWDCP-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988510 664570831 /nfs/dbraw/zinc/57/08/31/664570831.db2.gz ZOPNCQFBDNWDCP-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189548 664571333 /nfs/dbraw/zinc/57/13/33/664571333.db2.gz BWGXRMWRDVZKHM-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016189548 664571336 /nfs/dbraw/zinc/57/13/36/664571336.db2.gz BWGXRMWRDVZKHM-VHSXEESVSA-N 1 1 307.354 -1.281 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191893 664571383 /nfs/dbraw/zinc/57/13/83/664571383.db2.gz XOWFEKCVVDYVCF-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191893 664571385 /nfs/dbraw/zinc/57/13/85/664571385.db2.gz XOWFEKCVVDYVCF-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016193197 664571422 /nfs/dbraw/zinc/57/14/22/664571422.db2.gz VCEKVMVSMVKYOW-JTQLQIEISA-N 1 1 321.341 -1.980 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001016182316 664571550 /nfs/dbraw/zinc/57/15/50/664571550.db2.gz OQLBAWLKURWSHY-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001016182316 664571551 /nfs/dbraw/zinc/57/15/51/664571551.db2.gz OQLBAWLKURWSHY-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198963 664571597 /nfs/dbraw/zinc/57/15/97/664571597.db2.gz DSPQTJHCLSWAJT-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198963 664571599 /nfs/dbraw/zinc/57/15/99/664571599.db2.gz DSPQTJHCLSWAJT-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001016189126 664571638 /nfs/dbraw/zinc/57/16/38/664571638.db2.gz XABSKYJVAQBXHH-OLZOCXBDSA-N 1 1 319.369 -1.274 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200089 664571881 /nfs/dbraw/zinc/57/18/81/664571881.db2.gz RFSSZRMARAQYHC-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200089 664571882 /nfs/dbraw/zinc/57/18/82/664571882.db2.gz RFSSZRMARAQYHC-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016201921 664571887 /nfs/dbraw/zinc/57/18/87/664571887.db2.gz JKVRQWOUVCMTKU-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016201921 664571888 /nfs/dbraw/zinc/57/18/88/664571888.db2.gz JKVRQWOUVCMTKU-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200091 664572013 /nfs/dbraw/zinc/57/20/13/664572013.db2.gz RFSSZRMARAQYHC-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3C(=O)CNC3=O)C2)C1=O ZINC001016200091 664572015 /nfs/dbraw/zinc/57/20/15/664572015.db2.gz RFSSZRMARAQYHC-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199150 664572020 /nfs/dbraw/zinc/57/20/20/664572020.db2.gz HIANRCNBNDSSRE-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199150 664572022 /nfs/dbraw/zinc/57/20/22/664572022.db2.gz HIANRCNBNDSSRE-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208119 664572057 /nfs/dbraw/zinc/57/20/57/664572057.db2.gz KADXDVHGRQAGTC-GHMZBOCLSA-N 1 1 322.365 -1.443 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208119 664572059 /nfs/dbraw/zinc/57/20/59/664572059.db2.gz KADXDVHGRQAGTC-GHMZBOCLSA-N 1 1 322.365 -1.443 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209606 664572269 /nfs/dbraw/zinc/57/22/69/664572269.db2.gz UKXZTZMMINWTES-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209606 664572270 /nfs/dbraw/zinc/57/22/70/664572270.db2.gz UKXZTZMMINWTES-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016215295 664572280 /nfs/dbraw/zinc/57/22/80/664572280.db2.gz FHVURNHQLHCOHN-VXGBXAGGSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016215295 664572281 /nfs/dbraw/zinc/57/22/81/664572281.db2.gz FHVURNHQLHCOHN-VXGBXAGGSA-N 1 1 323.397 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210301 664572323 /nfs/dbraw/zinc/57/23/23/664572323.db2.gz XOZSEISVLHYIBM-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210301 664572325 /nfs/dbraw/zinc/57/23/25/664572325.db2.gz XOZSEISVLHYIBM-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210297 664572512 /nfs/dbraw/zinc/57/25/12/664572512.db2.gz XOZSEISVLHYIBM-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016210297 664572514 /nfs/dbraw/zinc/57/25/14/664572514.db2.gz XOZSEISVLHYIBM-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016238288 664572729 /nfs/dbraw/zinc/57/27/29/664572729.db2.gz BWRWJMGKWCHRPA-QMMMGPOBSA-N 1 1 309.326 -1.964 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016238288 664572731 /nfs/dbraw/zinc/57/27/31/664572731.db2.gz BWRWJMGKWCHRPA-QMMMGPOBSA-N 1 1 309.326 -1.964 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239127 664572787 /nfs/dbraw/zinc/57/27/87/664572787.db2.gz IBSKZKNWTBMWMC-DTWKUNHWSA-N 1 1 323.353 -1.576 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239127 664572788 /nfs/dbraw/zinc/57/27/88/664572788.db2.gz IBSKZKNWTBMWMC-DTWKUNHWSA-N 1 1 323.353 -1.576 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240701 664572857 /nfs/dbraw/zinc/57/28/57/664572857.db2.gz SZRVXEGKBYMCLU-WPRPVWTQSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240701 664572859 /nfs/dbraw/zinc/57/28/59/664572859.db2.gz SZRVXEGKBYMCLU-WPRPVWTQSA-N 1 1 323.353 -1.446 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239125 664573010 /nfs/dbraw/zinc/57/30/10/664573010.db2.gz IBSKZKNWTBMWMC-BDAKNGLRSA-N 1 1 323.353 -1.576 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239125 664573011 /nfs/dbraw/zinc/57/30/11/664573011.db2.gz IBSKZKNWTBMWMC-BDAKNGLRSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255905 664573025 /nfs/dbraw/zinc/57/30/25/664573025.db2.gz OUDJWRHINOSSFB-NXEZZACHSA-N 1 1 317.353 -1.269 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255905 664573026 /nfs/dbraw/zinc/57/30/26/664573026.db2.gz OUDJWRHINOSSFB-NXEZZACHSA-N 1 1 317.353 -1.269 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001016247161 664573029 /nfs/dbraw/zinc/57/30/29/664573029.db2.gz SUMRUBZNZYJRIF-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)n1 ZINC001016247161 664573030 /nfs/dbraw/zinc/57/30/30/664573030.db2.gz SUMRUBZNZYJRIF-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239207 664573033 /nfs/dbraw/zinc/57/30/33/664573033.db2.gz ILHIDBSAAHEUMS-SFYZADRCSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239207 664573035 /nfs/dbraw/zinc/57/30/35/664573035.db2.gz ILHIDBSAAHEUMS-SFYZADRCSA-N 1 1 309.326 -1.836 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240699 664573123 /nfs/dbraw/zinc/57/31/23/664573123.db2.gz SZRVXEGKBYMCLU-SCZZXKLOSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240699 664573124 /nfs/dbraw/zinc/57/31/24/664573124.db2.gz SZRVXEGKBYMCLU-SCZZXKLOSA-N 1 1 323.353 -1.446 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250812 664573148 /nfs/dbraw/zinc/57/31/48/664573148.db2.gz QXESPRPRPQHYHN-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250812 664573149 /nfs/dbraw/zinc/57/31/49/664573149.db2.gz QXESPRPRPQHYHN-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341081 664573920 /nfs/dbraw/zinc/57/39/20/664573920.db2.gz IEXHPAKXSDRODG-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354846 664574093 /nfs/dbraw/zinc/57/40/93/664574093.db2.gz QUKXSZQJNDDNJD-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354846 664574094 /nfs/dbraw/zinc/57/40/94/664574094.db2.gz QUKXSZQJNDDNJD-JTQLQIEISA-N 1 1 309.370 -1.384 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nn1 ZINC001016342048 664574099 /nfs/dbraw/zinc/57/40/99/664574099.db2.gz ZDEROUMDGGLDTG-QWRGUYRKSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016412138 664574341 /nfs/dbraw/zinc/57/43/41/664574341.db2.gz VTTWGFOAUCFLQN-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016412138 664574343 /nfs/dbraw/zinc/57/43/43/664574343.db2.gz VTTWGFOAUCFLQN-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016397901 664574447 /nfs/dbraw/zinc/57/44/47/664574447.db2.gz PKCIZRHQYWYTQN-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016396530 664574641 /nfs/dbraw/zinc/57/46/41/664574641.db2.gz DKKGPROUFKTWQH-GHMZBOCLSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001016396530 664574644 /nfs/dbraw/zinc/57/46/44/664574644.db2.gz DKKGPROUFKTWQH-GHMZBOCLSA-N 1 1 305.338 -1.121 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016425910 664574650 /nfs/dbraw/zinc/57/46/50/664574650.db2.gz AYJLOQYMHOSVPS-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016425910 664574652 /nfs/dbraw/zinc/57/46/52/664574652.db2.gz AYJLOQYMHOSVPS-UWVGGRQHSA-N 1 1 310.354 -1.682 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016430070 664574673 /nfs/dbraw/zinc/57/46/73/664574673.db2.gz KUKIABFDTXBJND-ONGXEEELSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016430070 664574675 /nfs/dbraw/zinc/57/46/75/664574675.db2.gz KUKIABFDTXBJND-ONGXEEELSA-N 1 1 322.365 -1.492 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407916 664574679 /nfs/dbraw/zinc/57/46/79/664574679.db2.gz GFLQUQIKMMKJGA-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016407916 664574681 /nfs/dbraw/zinc/57/46/81/664574681.db2.gz GFLQUQIKMMKJGA-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354850 664574730 /nfs/dbraw/zinc/57/47/30/664574730.db2.gz QVNPVSDIZKRUDJ-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354850 664574731 /nfs/dbraw/zinc/57/47/31/664574731.db2.gz QVNPVSDIZKRUDJ-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)n(C)c1=O ZINC001016355159 664574755 /nfs/dbraw/zinc/57/47/55/664574755.db2.gz TYMXFKYKJWWAPG-NSHDSACASA-N 1 1 319.369 -1.180 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355196 664574764 /nfs/dbraw/zinc/57/47/64/664574764.db2.gz UMNLQKNFTMKZJV-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355196 664574765 /nfs/dbraw/zinc/57/47/65/664574765.db2.gz UMNLQKNFTMKZJV-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016433237 664575001 /nfs/dbraw/zinc/57/50/01/664575001.db2.gz ZISAVSGJMVFVNG-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016433237 664575003 /nfs/dbraw/zinc/57/50/03/664575003.db2.gz ZISAVSGJMVFVNG-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO CC(=O)N[C@@H]1CC12CC[NH+](CC(=O)N1CCNC(=O)C1)CC2 ZINC001016453269 664575106 /nfs/dbraw/zinc/57/51/06/664575106.db2.gz ZCYFLIRIAVREIS-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016545569 664575742 /nfs/dbraw/zinc/57/57/42/664575742.db2.gz JKQOYZCPRKNHDX-HTAVTVPLSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016546291 664575804 /nfs/dbraw/zinc/57/58/04/664575804.db2.gz RIUNSTQXVNGNER-VOMCLLRMSA-N 1 1 321.385 -1.270 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016800034 664577585 /nfs/dbraw/zinc/57/75/85/664577585.db2.gz PLFBECVLFDJJJT-SECBINFHSA-N 1 1 303.384 -1.513 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001016867856 664578487 /nfs/dbraw/zinc/57/84/87/664578487.db2.gz KSTMFYFJYUDYOR-VQXHTEKXSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001016867856 664578490 /nfs/dbraw/zinc/57/84/90/664578490.db2.gz KSTMFYFJYUDYOR-VQXHTEKXSA-N 1 1 322.369 -1.146 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016950436 664579107 /nfs/dbraw/zinc/57/91/07/664579107.db2.gz MQSPYJBGWPHESY-ILDUYXDCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016950436 664579108 /nfs/dbraw/zinc/57/91/08/664579108.db2.gz MQSPYJBGWPHESY-ILDUYXDCSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200521 664580528 /nfs/dbraw/zinc/58/05/28/664580528.db2.gz QVDSYKLTGJAPBC-VHSXEESVSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200521 664580530 /nfs/dbraw/zinc/58/05/30/664580530.db2.gz QVDSYKLTGJAPBC-VHSXEESVSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200519 664580547 /nfs/dbraw/zinc/58/05/47/664580547.db2.gz QVDSYKLTGJAPBC-NXEZZACHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001017200519 664580550 /nfs/dbraw/zinc/58/05/50/664580550.db2.gz QVDSYKLTGJAPBC-NXEZZACHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001017201218 664580610 /nfs/dbraw/zinc/58/06/10/664580610.db2.gz ZCOWANHKBFTSGK-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCNC1=O ZINC001017130971 664580716 /nfs/dbraw/zinc/58/07/16/664580716.db2.gz XHLGUWBTLXQASH-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC001017184099 664580770 /nfs/dbraw/zinc/58/07/70/664580770.db2.gz GXRIUVIZUWLZAG-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001017201216 664580784 /nfs/dbraw/zinc/58/07/84/664580784.db2.gz ZCOWANHKBFTSGK-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)C1 ZINC001017357274 664581183 /nfs/dbraw/zinc/58/11/83/664581183.db2.gz UYGLJVSUVACCHI-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)CC(N)=O)CC2)C1 ZINC001017357274 664581189 /nfs/dbraw/zinc/58/11/89/664581189.db2.gz UYGLJVSUVACCHI-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCOCC1=O ZINC001017621348 664582231 /nfs/dbraw/zinc/58/22/31/664582231.db2.gz NDCGAZHPXMIFCU-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001017687897 664582806 /nfs/dbraw/zinc/58/28/06/664582806.db2.gz VPINJFFJXKVKIW-UTUOFQBUSA-N 1 1 309.370 -1.362 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O ZINC001018149137 664584904 /nfs/dbraw/zinc/58/49/04/664584904.db2.gz HALXQTLPFRNNEB-SDDRHHMPSA-N 1 1 324.381 -1.016 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001018246196 664585367 /nfs/dbraw/zinc/58/53/67/664585367.db2.gz KLOYDRIQRRHXKV-GARJFASQSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CN(C)C1=O ZINC001018246356 664585462 /nfs/dbraw/zinc/58/54/62/664585462.db2.gz MQPXNZHFDGFEGM-SDDRHHMPSA-N 1 1 324.381 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302282 664585697 /nfs/dbraw/zinc/58/56/97/664585697.db2.gz DBTFILLIPRPXRS-MXWKQRLJSA-N 1 1 322.369 -1.567 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC(N)=O)nn1 ZINC001018302282 664585698 /nfs/dbraw/zinc/58/56/98/664585698.db2.gz DBTFILLIPRPXRS-MXWKQRLJSA-N 1 1 322.369 -1.567 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001018485183 664587312 /nfs/dbraw/zinc/58/73/12/664587312.db2.gz GUCJDLSKTVANJL-JTQLQIEISA-N 1 1 307.358 -1.477 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018479183 664587352 /nfs/dbraw/zinc/58/73/52/664587352.db2.gz CYLNJTHXVIACFY-JTQLQIEISA-N 1 1 305.346 -1.325 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018622596 664588245 /nfs/dbraw/zinc/58/82/45/664588245.db2.gz TYEGBTQPZJSCJF-GXSJLCMTSA-N 1 1 319.369 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001018708029 664588612 /nfs/dbraw/zinc/58/86/12/664588612.db2.gz WCDDCQIMDWCHQC-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018656251 664588702 /nfs/dbraw/zinc/58/87/02/664588702.db2.gz ATEFCENZXIXQLN-WDEREUQCSA-N 1 1 305.338 -1.052 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001018718516 664589116 /nfs/dbraw/zinc/58/91/16/664589116.db2.gz JJZLXHNTFYBTOY-UWVGGRQHSA-N 1 1 308.342 -1.146 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018743724 664589126 /nfs/dbraw/zinc/58/91/26/664589126.db2.gz NSXFCABPCGCXGP-VIFPVBQESA-N 1 1 306.330 -1.497 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018747735 664589404 /nfs/dbraw/zinc/58/94/04/664589404.db2.gz LFZPZHDMOZDCRF-VIFPVBQESA-N 1 1 306.330 -1.497 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CN=NC3=O)C2)nn1 ZINC001018747417 664589434 /nfs/dbraw/zinc/58/94/34/664589434.db2.gz FGEYRAIGRYNTGZ-VIFPVBQESA-N 1 1 306.330 -1.497 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC001018745545 664589625 /nfs/dbraw/zinc/58/96/25/664589625.db2.gz PPYZEKDCZHJJFY-QMMMGPOBSA-N 1 1 305.346 -1.470 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018792712 664589761 /nfs/dbraw/zinc/58/97/61/664589761.db2.gz MDOAQSLBSPSNRV-WPRPVWTQSA-N 1 1 321.341 -1.193 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001018769195 664589795 /nfs/dbraw/zinc/58/97/95/664589795.db2.gz JGUVAEIZZHABMS-NSHDSACASA-N 1 1 307.358 -1.621 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001018811247 664590200 /nfs/dbraw/zinc/59/02/00/664590200.db2.gz PRDFXWAJFFNKDQ-IUCAKERBSA-N 1 1 305.346 -1.096 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001018834334 664590365 /nfs/dbraw/zinc/59/03/65/664590365.db2.gz JUAGLFHPWZNNIX-NSHDSACASA-N 1 1 304.358 -1.123 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001018807807 664590538 /nfs/dbraw/zinc/59/05/38/664590538.db2.gz BTPVFRJPGOYRKM-BDAKNGLRSA-N 1 1 305.346 -1.096 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]([NH2+]Cc3ccon3)C2)n1 ZINC001018871142 664590921 /nfs/dbraw/zinc/59/09/21/664590921.db2.gz WQMPYHJLQCXSIF-JTQLQIEISA-N 1 1 319.325 -1.244 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1)c1nnnn1C ZINC001018915552 664591710 /nfs/dbraw/zinc/59/17/10/664591710.db2.gz GVUMUATVIUMCPO-UWVGGRQHSA-N 1 1 305.346 -1.247 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001018898019 664591713 /nfs/dbraw/zinc/59/17/13/664591713.db2.gz VXQOUORHWLAERY-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001018898019 664591714 /nfs/dbraw/zinc/59/17/14/664591714.db2.gz VXQOUORHWLAERY-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001018899365 664591748 /nfs/dbraw/zinc/59/17/48/664591748.db2.gz QEJBYEUYGOXNAP-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001018899365 664591750 /nfs/dbraw/zinc/59/17/50/664591750.db2.gz QEJBYEUYGOXNAP-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO CCN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001018934102 664591835 /nfs/dbraw/zinc/59/18/35/664591835.db2.gz FVXHCCXCLAIOMR-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018983520 664592296 /nfs/dbraw/zinc/59/22/96/664592296.db2.gz CYJPKTFKQZDWHS-IUCAKERBSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001018956456 664592315 /nfs/dbraw/zinc/59/23/15/664592315.db2.gz BSLBXQKTYGFSIL-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001018958936 664592454 /nfs/dbraw/zinc/59/24/54/664592454.db2.gz DUZZFJKSGCENNW-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001018989363 664592696 /nfs/dbraw/zinc/59/26/96/664592696.db2.gz FSISCAMFZKMISV-NHCYSSNCSA-N 1 1 310.358 -1.296 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018984017 664592943 /nfs/dbraw/zinc/59/29/43/664592943.db2.gz PGRJNTANXAOARU-YUMQZZPRSA-N 1 1 322.329 -2.501 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001019047916 664593414 /nfs/dbraw/zinc/59/34/14/664593414.db2.gz OTDAVDQIXNGFBM-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063381 664593946 /nfs/dbraw/zinc/59/39/46/664593946.db2.gz PCZBARHAJWJNDA-NSHDSACASA-N 1 1 319.369 -1.294 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)[nH]1 ZINC001019063546 664593957 /nfs/dbraw/zinc/59/39/57/664593957.db2.gz XUCVDQHMDJBEIB-JTQLQIEISA-N 1 1 320.357 -1.601 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001019063144 664593965 /nfs/dbraw/zinc/59/39/65/664593965.db2.gz BZDZEYDVKNTDRS-VIFPVBQESA-N 1 1 307.314 -1.645 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001019074406 664594111 /nfs/dbraw/zinc/59/41/11/664594111.db2.gz VEYCQAJNRMPZSK-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019066776 664594155 /nfs/dbraw/zinc/59/41/55/664594155.db2.gz WHVJUYINYNWFQL-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3cnns3)C2)c1=O ZINC001019063472 664594202 /nfs/dbraw/zinc/59/42/02/664594202.db2.gz SYGVMOQDKNYGKQ-VIFPVBQESA-N 1 1 323.382 -1.176 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001019085952 664594391 /nfs/dbraw/zinc/59/43/91/664594391.db2.gz DBPJORCUUUXQGX-JTQLQIEISA-N 1 1 322.373 -1.684 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001019183048 664595623 /nfs/dbraw/zinc/59/56/23/664595623.db2.gz WBMGKJIGMSBRPH-ZANVPECISA-N 1 1 307.358 -1.573 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019233252 664595887 /nfs/dbraw/zinc/59/58/87/664595887.db2.gz KMFOPRQLXMIMJN-LBPRGKRZSA-N 1 1 307.354 -1.203 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001019228937 664595896 /nfs/dbraw/zinc/59/58/96/664595896.db2.gz OKVYUFYNPYPWAT-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)nn1 ZINC001019240253 664596316 /nfs/dbraw/zinc/59/63/16/664596316.db2.gz DMCVHDFERLZCSG-GXSJLCMTSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019233589 664596364 /nfs/dbraw/zinc/59/63/64/664596364.db2.gz YNJMMWHUORBVRE-JTQLQIEISA-N 1 1 322.373 -2.668 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001019239585 664596418 /nfs/dbraw/zinc/59/64/18/664596418.db2.gz YQAXISNHTFBAHC-WDEREUQCSA-N 1 1 321.385 -1.090 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)[nH]1 ZINC001019240345 664596702 /nfs/dbraw/zinc/59/67/02/664596702.db2.gz IKUNRZZPXLAILD-UWVGGRQHSA-N 1 1 307.358 -1.173 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nncn1C ZINC001019258623 664596945 /nfs/dbraw/zinc/59/69/45/664596945.db2.gz JOWQHHOJPANCSX-BDAKNGLRSA-N 1 1 305.346 -1.096 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)nn1 ZINC001019262066 664597176 /nfs/dbraw/zinc/59/71/76/664597176.db2.gz IUJRUTVTUVZCFO-JQWIXIFHSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300503 664597418 /nfs/dbraw/zinc/59/74/18/664597418.db2.gz DURSDEUNYCPRGE-QMMMGPOBSA-N 1 1 304.314 -1.702 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019308818 664597988 /nfs/dbraw/zinc/59/79/88/664597988.db2.gz HUHMKLLAUPZRHZ-QWRGUYRKSA-N 1 1 321.385 -1.022 20 0 DAADMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1C ZINC001019308652 664598058 /nfs/dbraw/zinc/59/80/58/664598058.db2.gz BTOSYJVKRNMZTG-UWVGGRQHSA-N 1 1 321.385 -1.251 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)c1nnnn1C ZINC001019318432 664598214 /nfs/dbraw/zinc/59/82/14/664598214.db2.gz UQGKMFDVPWVUEJ-IUCAKERBSA-N 1 1 307.358 -1.273 20 0 DAADMO Cn1ncc2c1nc(C[NH2+][C@H]1CCN(C(=O)C(N)=O)C1)[nH]c2=O ZINC001019312875 664598402 /nfs/dbraw/zinc/59/84/02/664598402.db2.gz BIMIBYWIVJFHMG-ZETCQYMHSA-N 1 1 319.325 -1.755 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019356659 664599849 /nfs/dbraw/zinc/59/98/49/664599849.db2.gz YZHGHWWHYYVCKR-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019443140 664600953 /nfs/dbraw/zinc/60/09/53/664600953.db2.gz HTUZAPJPGMQWIM-MNOVXSKESA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001019442505 664601026 /nfs/dbraw/zinc/60/10/26/664601026.db2.gz QDGICXIQDGHWDV-WPRPVWTQSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444242 664601053 /nfs/dbraw/zinc/60/10/53/664601053.db2.gz OIHLVLJMDHHXOY-UWVGGRQHSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444019 664601114 /nfs/dbraw/zinc/60/11/14/664601114.db2.gz DVIKTIDXZCVJSY-IUCAKERBSA-N 1 1 321.341 -1.896 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019404295 664601118 /nfs/dbraw/zinc/60/11/18/664601118.db2.gz GXBDHAUURWRAPW-WDEREUQCSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019404295 664601119 /nfs/dbraw/zinc/60/11/19/664601119.db2.gz GXBDHAUURWRAPW-WDEREUQCSA-N 1 1 320.353 -1.267 20 0 DAADMO Cn1nnc(CN[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001019518495 664601885 /nfs/dbraw/zinc/60/18/85/664601885.db2.gz QMARAABMHULSIF-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019678694 664603580 /nfs/dbraw/zinc/60/35/80/664603580.db2.gz TYEGBTQPZJSCJF-ONGXEEELSA-N 1 1 319.369 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001019741095 664604023 /nfs/dbraw/zinc/60/40/23/664604023.db2.gz GSNBQBQRPJASHR-VIFPVBQESA-N 1 1 318.341 -1.692 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019749063 664604432 /nfs/dbraw/zinc/60/44/32/664604432.db2.gz UZIUNCHOWGSPGW-QMMMGPOBSA-N 1 1 322.329 -2.548 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001019780266 664604626 /nfs/dbraw/zinc/60/46/26/664604626.db2.gz RGIDCKZRMGKJTI-VIFPVBQESA-N 1 1 318.341 -1.359 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)C2)n(C)c1=O ZINC001019834683 664604845 /nfs/dbraw/zinc/60/48/45/664604845.db2.gz CZVPBSFKHGFLPE-JTQLQIEISA-N 1 1 319.369 -1.143 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccon3)C2)nn1 ZINC001019820325 664605114 /nfs/dbraw/zinc/60/51/14/664605114.db2.gz GFYFZHIQSMIPBG-JTQLQIEISA-N 1 1 319.325 -1.244 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019839015 664605299 /nfs/dbraw/zinc/60/52/99/664605299.db2.gz ZYKLNCSCXPELJN-NWDGAFQWSA-N 1 1 321.385 -1.089 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)[nH]1 ZINC001019895266 664606100 /nfs/dbraw/zinc/60/61/00/664606100.db2.gz XFFJXTPKRJKFPW-UWVGGRQHSA-N 1 1 320.353 -1.144 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020023518 664607644 /nfs/dbraw/zinc/60/76/44/664607644.db2.gz UWHFTGAAMWCWLY-XKNYDFJKSA-N 1 1 308.342 -1.244 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1)c1nnnn1C ZINC001019977125 664607950 /nfs/dbraw/zinc/60/79/50/664607950.db2.gz CSZNCKPXPCQHFT-CIUDSAMLSA-N 1 1 306.334 -1.805 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001020045748 664608104 /nfs/dbraw/zinc/60/81/04/664608104.db2.gz KATMWYAJUIOIHP-KKOKHZNYSA-N 1 1 323.401 -1.162 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001020045986 664608242 /nfs/dbraw/zinc/60/82/42/664608242.db2.gz QXBFBOHOFXTWFU-DCAQKATOSA-N 1 1 309.374 -1.723 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001020089144 664608777 /nfs/dbraw/zinc/60/87/77/664608777.db2.gz DKWUAVDNPUPHPI-GMTAPVOTSA-N 1 1 309.374 -1.723 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)n[nH]1 ZINC001020140034 664609563 /nfs/dbraw/zinc/60/95/63/664609563.db2.gz VJSLUWACTBRQMQ-OPRDCNLKSA-N 1 1 320.353 -1.302 20 0 DAADMO Cn1ccc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001020142452 664609603 /nfs/dbraw/zinc/60/96/03/664609603.db2.gz BRNYLHKLMURXFN-XYPYZODXSA-N 1 1 304.358 -1.077 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001020211012 664610048 /nfs/dbraw/zinc/61/00/48/664610048.db2.gz QZIYUHYLFPKIBL-GUBZILKMSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001020258556 664610838 /nfs/dbraw/zinc/61/08/38/664610838.db2.gz OTHYTLUAQSJSJP-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)O1 ZINC001020288037 664611212 /nfs/dbraw/zinc/61/12/12/664611212.db2.gz WMWKNJHKESLREN-DDHJBXDOSA-N 1 1 323.401 -1.334 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001020344474 664611779 /nfs/dbraw/zinc/61/17/79/664611779.db2.gz UYNJSBWNZSZQPU-XYPYZODXSA-N 1 1 317.353 -1.041 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1COC(=O)N1 ZINC001038214793 664612129 /nfs/dbraw/zinc/61/21/29/664612129.db2.gz SIIVIJVAEIOGPD-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1COC(=O)N1 ZINC001038214793 664612133 /nfs/dbraw/zinc/61/21/33/664612133.db2.gz SIIVIJVAEIOGPD-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)nn1 ZINC001038221313 664612186 /nfs/dbraw/zinc/61/21/86/664612186.db2.gz SITJBFPYSLNTEF-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)nn1 ZINC001038221313 664612187 /nfs/dbraw/zinc/61/21/87/664612187.db2.gz SITJBFPYSLNTEF-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001020376013 664612416 /nfs/dbraw/zinc/61/24/16/664612416.db2.gz YZRXJUXHZVKEDR-ZKCHVHJHSA-N 1 1 319.325 -1.047 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)O1 ZINC001038395369 664612968 /nfs/dbraw/zinc/61/29/68/664612968.db2.gz FJUJMSUOAHKQPF-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)O1 ZINC001038395369 664612969 /nfs/dbraw/zinc/61/29/69/664612969.db2.gz FJUJMSUOAHKQPF-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO NC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533854 664613965 /nfs/dbraw/zinc/61/39/65/664613965.db2.gz CMBUZYXLXZUITJ-WVIDZAQPSA-N 1 1 308.382 -1.475 20 0 DAADMO CC(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001038544500 664613982 /nfs/dbraw/zinc/61/39/82/664613982.db2.gz TZEMPTLJQMWPKV-MNOVXSKESA-N 1 1 317.411 -1.254 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001038544500 664613985 /nfs/dbraw/zinc/61/39/85/664613985.db2.gz TZEMPTLJQMWPKV-MNOVXSKESA-N 1 1 317.411 -1.254 20 0 DAADMO CNC(=O)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533946 664614185 /nfs/dbraw/zinc/61/41/85/664614185.db2.gz FGXAGFQQQOKEHG-BWAOXVRWSA-N 1 1 322.409 -1.214 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001038590616 664614650 /nfs/dbraw/zinc/61/46/50/664614650.db2.gz FLWBXTMCAVKTBX-GHMZBOCLSA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC1=O ZINC001038590616 664614654 /nfs/dbraw/zinc/61/46/54/664614654.db2.gz FLWBXTMCAVKTBX-GHMZBOCLSA-N 1 1 309.370 -1.662 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)C1=O ZINC001038618682 664615052 /nfs/dbraw/zinc/61/50/52/664615052.db2.gz DHRKKGLNRBZFLR-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)C1=O ZINC001038618682 664615053 /nfs/dbraw/zinc/61/50/53/664615053.db2.gz DHRKKGLNRBZFLR-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)C1=O ZINC001038618902 664615081 /nfs/dbraw/zinc/61/50/81/664615081.db2.gz DYIBKKINWMUBQP-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)C1=O ZINC001038618902 664615083 /nfs/dbraw/zinc/61/50/83/664615083.db2.gz DYIBKKINWMUBQP-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038650569 664615426 /nfs/dbraw/zinc/61/54/26/664615426.db2.gz MDEVBMLWCCVGNS-NEPJUHHUSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038650569 664615429 /nfs/dbraw/zinc/61/54/29/664615429.db2.gz MDEVBMLWCCVGNS-NEPJUHHUSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)c1c[nH]c(=O)cn1 ZINC001038651047 664615472 /nfs/dbraw/zinc/61/54/72/664615472.db2.gz LNWDLCRUVWYXHB-JTQLQIEISA-N 1 1 303.326 -1.134 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)c1c[nH]c(=O)cn1 ZINC001038651047 664615476 /nfs/dbraw/zinc/61/54/76/664615476.db2.gz LNWDLCRUVWYXHB-JTQLQIEISA-N 1 1 303.326 -1.134 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038651306 664615515 /nfs/dbraw/zinc/61/55/15/664615515.db2.gz OSNPHHAWRGFCAY-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038651306 664615517 /nfs/dbraw/zinc/61/55/17/664615517.db2.gz OSNPHHAWRGFCAY-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001038653023 664615538 /nfs/dbraw/zinc/61/55/38/664615538.db2.gz VSLZGIHBRFEAMG-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1=O ZINC001038653383 664615605 /nfs/dbraw/zinc/61/56/05/664615605.db2.gz WQFBNSRHICHILO-RYUDHWBXSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cc1=O ZINC001038653383 664615608 /nfs/dbraw/zinc/61/56/08/664615608.db2.gz WQFBNSRHICHILO-RYUDHWBXSA-N 1 1 319.365 -1.243 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001038649211 664615614 /nfs/dbraw/zinc/61/56/14/664615614.db2.gz GZCDDAYXLXZCCY-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CNC(=O)N1 ZINC001038649211 664615616 /nfs/dbraw/zinc/61/56/16/664615616.db2.gz GZCDDAYXLXZCCY-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001038654899 664616199 /nfs/dbraw/zinc/61/61/99/664616199.db2.gz RKLIFFCEUUFCPV-NEPJUHHUSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001038654899 664616200 /nfs/dbraw/zinc/61/62/00/664616200.db2.gz RKLIFFCEUUFCPV-NEPJUHHUSA-N 1 1 321.385 -1.233 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038756107 664616719 /nfs/dbraw/zinc/61/67/19/664616719.db2.gz GOIMCKGWGSZRIA-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038756107 664616720 /nfs/dbraw/zinc/61/67/20/664616720.db2.gz GOIMCKGWGSZRIA-UWVGGRQHSA-N 1 1 321.341 -1.933 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCCO)c(=O)n(C)c1=O ZINC001038770900 664616805 /nfs/dbraw/zinc/61/68/05/664616805.db2.gz XNBIFASKTNWLHL-SNVBAGLBSA-N 1 1 310.354 -1.730 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCCO)c(=O)n(C)c1=O ZINC001038770899 664616950 /nfs/dbraw/zinc/61/69/50/664616950.db2.gz XNBIFASKTNWLHL-JTQLQIEISA-N 1 1 310.354 -1.730 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038765551 664617073 /nfs/dbraw/zinc/61/70/73/664617073.db2.gz ACXMDEQAYQAUQB-JTQLQIEISA-N 1 1 310.354 -1.466 20 0 DAADMO Cn1[nH]c(CN2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001039004883 664618210 /nfs/dbraw/zinc/61/82/10/664618210.db2.gz ADNYEGHLABLRTN-QWRGUYRKSA-N 1 1 308.386 -1.249 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)ccc1=O ZINC001038995483 664618271 /nfs/dbraw/zinc/61/82/71/664618271.db2.gz IVCGTXXGHGZXSZ-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)ccc1=O ZINC001038995483 664618274 /nfs/dbraw/zinc/61/82/74/664618274.db2.gz IVCGTXXGHGZXSZ-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)ccc1=O ZINC001038995484 664618376 /nfs/dbraw/zinc/61/83/76/664618376.db2.gz IVCGTXXGHGZXSZ-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)ccc1=O ZINC001038995484 664618378 /nfs/dbraw/zinc/61/83/78/664618378.db2.gz IVCGTXXGHGZXSZ-NSHDSACASA-N 1 1 317.353 -1.124 20 0 DAADMO Cn1[nH]c(CN2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001039004882 664618465 /nfs/dbraw/zinc/61/84/65/664618465.db2.gz ADNYEGHLABLRTN-MNOVXSKESA-N 1 1 308.386 -1.249 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047390 664618883 /nfs/dbraw/zinc/61/88/83/664618883.db2.gz PXDDLFGMLVLOIE-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047390 664618884 /nfs/dbraw/zinc/61/88/84/664618884.db2.gz PXDDLFGMLVLOIE-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001039131373 664619051 /nfs/dbraw/zinc/61/90/51/664619051.db2.gz KUPQKILTNRUDDP-GFCCVEGCSA-N 1 1 321.385 -1.281 20 0 DAADMO Cn1nnc(C(=O)N2CCC([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001039147014 664619150 /nfs/dbraw/zinc/61/91/50/664619150.db2.gz BQMIBFLRNNXYGT-LLVKDONJSA-N 1 1 321.385 -1.131 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330606 664619223 /nfs/dbraw/zinc/61/92/23/664619223.db2.gz DERZFDJKUNGSTE-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330606 664619225 /nfs/dbraw/zinc/61/92/25/664619225.db2.gz DERZFDJKUNGSTE-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039375678 664619432 /nfs/dbraw/zinc/61/94/32/664619432.db2.gz REEXBHQMSPDEBU-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039375678 664619433 /nfs/dbraw/zinc/61/94/33/664619433.db2.gz REEXBHQMSPDEBU-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001039374418 664619435 /nfs/dbraw/zinc/61/94/35/664619435.db2.gz UZAYYGOHDORKHU-GRYCIOLGSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001039374418 664619436 /nfs/dbraw/zinc/61/94/36/664619436.db2.gz UZAYYGOHDORKHU-GRYCIOLGSA-N 1 1 319.369 -1.373 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366104 664619438 /nfs/dbraw/zinc/61/94/38/664619438.db2.gz OVYBYIJDPPMSST-MXWKQRLJSA-N 1 1 322.369 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366104 664619439 /nfs/dbraw/zinc/61/94/39/664619439.db2.gz OVYBYIJDPPMSST-MXWKQRLJSA-N 1 1 322.369 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374707 664619461 /nfs/dbraw/zinc/61/94/61/664619461.db2.gz GOOHSTJBNZIAOT-MXWKQRLJSA-N 1 1 307.358 -1.388 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374707 664619462 /nfs/dbraw/zinc/61/94/62/664619462.db2.gz GOOHSTJBNZIAOT-MXWKQRLJSA-N 1 1 307.358 -1.388 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330148 677690491 /nfs/dbraw/zinc/69/04/91/677690491.db2.gz JIKXGGPPRBTRGL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330148 677690492 /nfs/dbraw/zinc/69/04/92/677690492.db2.gz JIKXGGPPRBTRGL-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330193 677690575 /nfs/dbraw/zinc/69/05/75/677690575.db2.gz KYJHAYLDHURDKF-ZJUUUORDSA-N 1 1 323.382 -1.200 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330193 677690576 /nfs/dbraw/zinc/69/05/76/677690576.db2.gz KYJHAYLDHURDKF-ZJUUUORDSA-N 1 1 323.382 -1.200 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@@H]2O)CC[N@H+]1C ZINC001083472707 677724385 /nfs/dbraw/zinc/72/43/85/677724385.db2.gz MJZAUAMHFQLADI-ZRJCITRHSA-N 1 1 322.413 -1.183 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@@H]2O)CC[N@H+]1C ZINC001083472689 677724407 /nfs/dbraw/zinc/72/44/07/677724407.db2.gz LORIWJCJATVDPN-ZRJCITRHSA-N 1 1 322.413 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)c1 ZINC001076882474 677764427 /nfs/dbraw/zinc/76/44/27/677764427.db2.gz IEMRLUXZVRIDQW-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)c1 ZINC001076882474 677764429 /nfs/dbraw/zinc/76/44/29/677764429.db2.gz IEMRLUXZVRIDQW-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1)OC ZINC001076902376 677767301 /nfs/dbraw/zinc/76/73/01/677767301.db2.gz VTYJPCCSZAMKGC-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)C1 ZINC001076931335 677770839 /nfs/dbraw/zinc/77/08/39/677770839.db2.gz ALXFRQPCWTXFCU-MRVWCRGKSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001076935538 677770854 /nfs/dbraw/zinc/77/08/54/677770854.db2.gz BVQILMSLXDHYHD-FRRDWIJNSA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001076935538 677770855 /nfs/dbraw/zinc/77/08/55/677770855.db2.gz BVQILMSLXDHYHD-FRRDWIJNSA-N 1 1 321.381 -1.598 20 0 DAADMO CN1C(=O)CS/C1=C/C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179452 677822611 /nfs/dbraw/zinc/82/26/11/677822611.db2.gz QERQGLJSJMKUQY-KBVBDRTLSA-N 1 1 301.368 -1.500 20 0 DAADMO CO[C@@H]1COCC[C@H]1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182667 677823223 /nfs/dbraw/zinc/82/32/23/677823223.db2.gz BKQKBMYQPFGUGT-SCRDCRAPSA-N 1 1 302.371 -1.105 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083573655 677800685 /nfs/dbraw/zinc/80/06/85/677800685.db2.gz QJUUWBNHOZTPMQ-RDBSUJKOSA-N 1 1 324.425 -1.089 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573214 677800804 /nfs/dbraw/zinc/80/08/04/677800804.db2.gz BMNIXLPKQAVYDO-WOPDTQHZSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573256 677800991 /nfs/dbraw/zinc/80/09/91/677800991.db2.gz CUJKOKURLGTMJO-UPJWGTAASA-N 1 1 322.413 -1.039 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083619984 677812279 /nfs/dbraw/zinc/81/22/79/677812279.db2.gz PFQPHZVGTZICNJ-MXWKQRLJSA-N 1 1 300.359 -2.069 20 0 DAADMO C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000912508614 677818515 /nfs/dbraw/zinc/81/85/15/677818515.db2.gz YNDWGKRGGRCDLL-MDZLAQPJSA-N 1 1 319.427 -1.066 20 0 DAADMO Cn1cc(-c2oncc2C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001083665037 677820717 /nfs/dbraw/zinc/82/07/17/677820717.db2.gz MNCKQMKWZOQMPV-NEPJUHHUSA-N 1 1 321.337 -1.158 20 0 DAADMO Cn1cc(-c2oncc2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001083665037 677820719 /nfs/dbraw/zinc/82/07/19/677820719.db2.gz MNCKQMKWZOQMPV-NEPJUHHUSA-N 1 1 321.337 -1.158 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740728 677852695 /nfs/dbraw/zinc/85/26/95/677852695.db2.gz NBFZDBWONZKAQE-AXFHLTTASA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740728 677852698 /nfs/dbraw/zinc/85/26/98/677852698.db2.gz NBFZDBWONZKAQE-AXFHLTTASA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001083793408 677884457 /nfs/dbraw/zinc/88/44/57/677884457.db2.gz PYDMOZISEJSKDL-UTUOFQBUSA-N 1 1 324.385 -1.831 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040546153 677932713 /nfs/dbraw/zinc/93/27/13/677932713.db2.gz DUGXDAGOHUPWOF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546153 677932717 /nfs/dbraw/zinc/93/27/17/677932717.db2.gz DUGXDAGOHUPWOF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546153 677932723 /nfs/dbraw/zinc/93/27/23/677932723.db2.gz DUGXDAGOHUPWOF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546153 677932727 /nfs/dbraw/zinc/93/27/27/677932727.db2.gz DUGXDAGOHUPWOF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546153 677932731 /nfs/dbraw/zinc/93/27/31/677932731.db2.gz DUGXDAGOHUPWOF-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056750980 677934264 /nfs/dbraw/zinc/93/42/64/677934264.db2.gz MGLFPEZHIWFURV-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)C(F)F)C1 ZINC001056750980 677934268 /nfs/dbraw/zinc/93/42/68/677934268.db2.gz MGLFPEZHIWFURV-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001003043521 677939346 /nfs/dbraw/zinc/93/93/46/677939346.db2.gz OMPYYCYGVRQNQV-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O)C1CCC1 ZINC001061836386 677966029 /nfs/dbraw/zinc/96/60/29/677966029.db2.gz MVFYBBFRPPWEGZ-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193561 677918136 /nfs/dbraw/zinc/91/81/36/677918136.db2.gz WNMDHPQJDJBQII-GMTAPVOTSA-N 1 1 305.400 -1.361 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC001063306131 677986984 /nfs/dbraw/zinc/98/69/84/677986984.db2.gz ULPNCAAMJPNNJC-GHMZBOCLSA-N 1 1 324.381 -1.510 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064999108 678010296 /nfs/dbraw/zinc/01/02/96/678010296.db2.gz RAOGHFSINAIGJH-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001079765576 678026607 /nfs/dbraw/zinc/02/66/07/678026607.db2.gz CIKXKYPNTSCYFR-MWLCHTKSSA-N 1 1 317.353 -1.080 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001079765576 678026611 /nfs/dbraw/zinc/02/66/11/678026611.db2.gz CIKXKYPNTSCYFR-MWLCHTKSSA-N 1 1 317.353 -1.080 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001080060983 678030357 /nfs/dbraw/zinc/03/03/57/678030357.db2.gz BDEAWPMAEBLIAU-RKDXNWHRSA-N 1 1 309.326 -2.129 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001080060983 678030361 /nfs/dbraw/zinc/03/03/61/678030361.db2.gz BDEAWPMAEBLIAU-RKDXNWHRSA-N 1 1 309.326 -2.129 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001080001619 678030439 /nfs/dbraw/zinc/03/04/39/678030439.db2.gz NQAFNQMBCGMIDU-MXWKQRLJSA-N 1 1 322.369 -2.093 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001080001619 678030441 /nfs/dbraw/zinc/03/04/41/678030441.db2.gz NQAFNQMBCGMIDU-MXWKQRLJSA-N 1 1 322.369 -2.093 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035465 678030589 /nfs/dbraw/zinc/03/05/89/678030589.db2.gz NSVSUGRXFCNYKZ-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001080035465 678030590 /nfs/dbraw/zinc/03/05/90/678030590.db2.gz NSVSUGRXFCNYKZ-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001080677172 678039869 /nfs/dbraw/zinc/03/98/69/678039869.db2.gz DKXUKZMXADMCPG-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001080677172 678039871 /nfs/dbraw/zinc/03/98/71/678039871.db2.gz DKXUKZMXADMCPG-LDYMZIIASA-N 1 1 307.354 -1.090 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1CC1 ZINC001081249882 678062745 /nfs/dbraw/zinc/06/27/45/678062745.db2.gz FEJVIMIBFLLYDZ-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C1CC1 ZINC001081249882 678062748 /nfs/dbraw/zinc/06/27/48/678062748.db2.gz FEJVIMIBFLLYDZ-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1)OC ZINC001081334348 678065880 /nfs/dbraw/zinc/06/58/80/678065880.db2.gz OFRZIEUJDNKUJU-IJLUTSLNSA-N 1 1 312.374 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334436 678065992 /nfs/dbraw/zinc/06/59/92/678065992.db2.gz RYNJGXJKDUVABL-IJLUTSLNSA-N 1 1 310.358 -1.475 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334263 678066111 /nfs/dbraw/zinc/06/61/11/678066111.db2.gz KYMGDVFENJGISM-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081370683 678071455 /nfs/dbraw/zinc/07/14/55/678071455.db2.gz DRYOBMFBPHUTMA-QWRGUYRKSA-N 1 1 314.386 -1.863 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481548 678078561 /nfs/dbraw/zinc/07/85/61/678078561.db2.gz MOCSQPHSRPZXPX-IJLUTSLNSA-N 1 1 314.386 -2.122 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481548 678078562 /nfs/dbraw/zinc/07/85/62/678078562.db2.gz MOCSQPHSRPZXPX-IJLUTSLNSA-N 1 1 314.386 -2.122 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589289 678086268 /nfs/dbraw/zinc/08/62/68/678086268.db2.gz CRUOUHICBBRIAT-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589289 678086269 /nfs/dbraw/zinc/08/62/69/678086269.db2.gz CRUOUHICBBRIAT-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589289 678086271 /nfs/dbraw/zinc/08/62/71/678086271.db2.gz CRUOUHICBBRIAT-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C(N)=O ZINC001082089354 678111372 /nfs/dbraw/zinc/11/13/72/678111372.db2.gz YRWKNFHGHKDZPU-OPRDCNLKSA-N 1 1 308.342 -1.934 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)C(N)=O ZINC001082089354 678111373 /nfs/dbraw/zinc/11/13/73/678111373.db2.gz YRWKNFHGHKDZPU-OPRDCNLKSA-N 1 1 308.342 -1.934 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374765 678116448 /nfs/dbraw/zinc/11/64/48/678116448.db2.gz PBOXNSALQPJXDC-GMTAPVOTSA-N 1 1 321.399 -2.124 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082569946 678118311 /nfs/dbraw/zinc/11/83/11/678118311.db2.gz OFRWMEVQYOTYJC-XZUYRWCXSA-N 1 1 324.385 -1.050 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082576046 678118474 /nfs/dbraw/zinc/11/84/74/678118474.db2.gz NBSHJYNUMAZSPV-OUAUKWLOSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065318065 678127506 /nfs/dbraw/zinc/12/75/06/678127506.db2.gz NCQBUXWAFGSJKL-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740949 678162818 /nfs/dbraw/zinc/16/28/18/678162818.db2.gz QTEWVAAZBGXNNR-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001072741913 678162890 /nfs/dbraw/zinc/16/28/90/678162890.db2.gz KLSAFEWLLMHCJH-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072736101 678163023 /nfs/dbraw/zinc/16/30/23/678163023.db2.gz BIKIBXAYIXZOMW-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1=O ZINC001072740866 678163115 /nfs/dbraw/zinc/16/31/15/678163115.db2.gz NDTITBNAUFHWIF-LLVKDONJSA-N 1 1 319.369 -1.562 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072740987 678163136 /nfs/dbraw/zinc/16/31/36/678163136.db2.gz SAELZEFDWBBQMJ-UHFFFAOYSA-N 1 1 307.358 -1.704 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058511736 677681053 /nfs/dbraw/zinc/68/10/53/677681053.db2.gz IFARDKZUPJLAMD-UHFFFAOYSA-N 1 1 313.358 -1.038 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058515823 677681146 /nfs/dbraw/zinc/68/11/46/677681146.db2.gz UDHAWBVNAHYLTB-UHFFFAOYSA-N 1 1 322.325 -1.175 20 0 DAADMO C[C@H](NC(=O)c1cnnn1C)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969601322 677681291 /nfs/dbraw/zinc/68/12/91/677681291.db2.gz HYMBGZJUKCGSRI-WCBMZHEXSA-N 1 1 320.353 -1.330 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001041628748 677681789 /nfs/dbraw/zinc/68/17/89/677681789.db2.gz LUDYTUNCCFSJGC-OAHLLOKOSA-N 1 1 322.365 -1.455 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970195626 677681838 /nfs/dbraw/zinc/68/18/38/677681838.db2.gz JODAFRHXCZENEG-VGMNWLOBSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970195626 677681839 /nfs/dbraw/zinc/68/18/39/677681839.db2.gz JODAFRHXCZENEG-VGMNWLOBSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1 ZINC000970750981 677682008 /nfs/dbraw/zinc/68/20/08/677682008.db2.gz HPZPICJDALQHIY-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1 ZINC000970750982 677682027 /nfs/dbraw/zinc/68/20/27/677682027.db2.gz HPZPICJDALQHIY-UTUOFQBUSA-N 1 1 322.369 -2.082 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083207752 677682192 /nfs/dbraw/zinc/68/21/92/677682192.db2.gz MULYMLCGKATRRP-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083207752 677682193 /nfs/dbraw/zinc/68/21/93/677682193.db2.gz MULYMLCGKATRRP-FRRDWIJNSA-N 1 1 319.365 -1.248 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 ZINC001083208885 677682208 /nfs/dbraw/zinc/68/22/08/677682208.db2.gz GQTPQUBGOTWWDE-GARJFASQSA-N 1 1 310.354 -1.096 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 ZINC001083213053 677682310 /nfs/dbraw/zinc/68/23/10/677682310.db2.gz LPAOLMFSIGURBP-VHSXEESVSA-N 1 1 324.337 -1.662 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001022028217 677682471 /nfs/dbraw/zinc/68/24/71/677682471.db2.gz WJGJVZFXOGGBTR-KXUCPTDWSA-N 1 1 323.357 -1.072 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)c1nnnn1C ZINC001022035799 677682503 /nfs/dbraw/zinc/68/25/03/677682503.db2.gz BAHJULWICBDIKT-MAUMQABQSA-N 1 1 309.330 -1.384 20 0 DAADMO Cn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)C[C@H]2O)cn1 ZINC000625626335 677682513 /nfs/dbraw/zinc/68/25/13/677682513.db2.gz IBWIIVIQVXFBGN-VXGBXAGGSA-N 1 1 323.353 -1.262 20 0 DAADMO Cn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)C[C@H]2O)cn1 ZINC000625626335 677682514 /nfs/dbraw/zinc/68/25/14/677682514.db2.gz IBWIIVIQVXFBGN-VXGBXAGGSA-N 1 1 323.353 -1.262 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001022053635 677682631 /nfs/dbraw/zinc/68/26/31/677682631.db2.gz QTTXELBNFYFFDG-DTORHVGOSA-N 1 1 305.346 -1.384 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971541249 677682650 /nfs/dbraw/zinc/68/26/50/677682650.db2.gz GZOGCFCXBGGBLI-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971544859 677682653 /nfs/dbraw/zinc/68/26/53/677682653.db2.gz FKXTXETYHXNLIY-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083223427 677682692 /nfs/dbraw/zinc/68/26/92/677682692.db2.gz WHLRGQGFDDJEIR-WDEREUQCSA-N 1 1 311.338 -2.057 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083223427 677682693 /nfs/dbraw/zinc/68/26/93/677682693.db2.gz WHLRGQGFDDJEIR-WDEREUQCSA-N 1 1 311.338 -2.057 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083223982 677682710 /nfs/dbraw/zinc/68/27/10/677682710.db2.gz ZGRBKWCKBGBKHK-SDDRHHMPSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083223982 677682711 /nfs/dbraw/zinc/68/27/11/677682711.db2.gz ZGRBKWCKBGBKHK-SDDRHHMPSA-N 1 1 320.353 -1.771 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083228321 677682864 /nfs/dbraw/zinc/68/28/64/677682864.db2.gz WDVPFJRSKLXBGJ-GRYCIOLGSA-N 1 1 321.337 -1.127 20 0 DAADMO O=C(c1cnon1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083228321 677682865 /nfs/dbraw/zinc/68/28/65/677682865.db2.gz WDVPFJRSKLXBGJ-GRYCIOLGSA-N 1 1 321.337 -1.127 20 0 DAADMO O=C(c1nc2ncccn2n1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083226375 677682922 /nfs/dbraw/zinc/68/29/22/677682922.db2.gz BWLUHZACHBSKQX-WDEREUQCSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(c1nc2ncccn2n1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083226375 677682923 /nfs/dbraw/zinc/68/29/23/677682923.db2.gz BWLUHZACHBSKQX-WDEREUQCSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(c1ccncn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083227427 677682931 /nfs/dbraw/zinc/68/29/31/677682931.db2.gz DVJFITSTZSHNQT-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ccncn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083227427 677682932 /nfs/dbraw/zinc/68/29/32/677682932.db2.gz DVJFITSTZSHNQT-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001083232789 677682983 /nfs/dbraw/zinc/68/29/83/677682983.db2.gz SMZGPCLNPDBUPX-GRYCIOLGSA-N 1 1 310.358 -1.644 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083234216 677682995 /nfs/dbraw/zinc/68/29/95/677682995.db2.gz RVAWITMQUZADKS-GRYCIOLGSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083234216 677682996 /nfs/dbraw/zinc/68/29/96/677682996.db2.gz RVAWITMQUZADKS-GRYCIOLGSA-N 1 1 319.365 -1.248 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cc2ncc[nH]2)C1 ZINC001058547581 677683134 /nfs/dbraw/zinc/68/31/34/677683134.db2.gz MWLHGLHKPQOXEO-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)c1=O ZINC001042123717 677683679 /nfs/dbraw/zinc/68/36/79/677683679.db2.gz UJYFTJHYAYOCKS-NWDGAFQWSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001058550257 677683691 /nfs/dbraw/zinc/68/36/91/677683691.db2.gz QDZDWNMIHMMLLN-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC001083267134 677683920 /nfs/dbraw/zinc/68/39/20/677683920.db2.gz LFCDJDAJEQSTAN-WCFLWFBJSA-N 1 1 322.365 -1.314 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)[C@H]2C1 ZINC001083268672 677683997 /nfs/dbraw/zinc/68/39/97/677683997.db2.gz OMANABOHEVANQA-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274032 677684257 /nfs/dbraw/zinc/68/42/57/677684257.db2.gz SXBCCTYKLHPSNS-FRRDWIJNSA-N 1 1 310.398 -1.404 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c(=O)[nH]c1=O ZINC001083273237 677684261 /nfs/dbraw/zinc/68/42/61/677684261.db2.gz IDMIMQZIASYNCB-WDEREUQCSA-N 1 1 324.337 -1.997 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c(=O)[nH]c1=O ZINC001083273237 677684262 /nfs/dbraw/zinc/68/42/62/677684262.db2.gz IDMIMQZIASYNCB-WDEREUQCSA-N 1 1 324.337 -1.997 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]21 ZINC001083275946 677684476 /nfs/dbraw/zinc/68/44/76/677684476.db2.gz FIXQUNYMQXCUAQ-KGYLQXTDSA-N 1 1 321.381 -1.023 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276197 677684487 /nfs/dbraw/zinc/68/44/87/677684487.db2.gz QORQSUIUFQKPMA-QWHCGFSZSA-N 1 1 321.381 -1.151 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278091 677684536 /nfs/dbraw/zinc/68/45/36/677684536.db2.gz HOSPFRRCTGPCTI-SDDRHHMPSA-N 1 1 317.411 -1.002 20 0 DAADMO NC(=O)C(=O)N(CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001058638790 677685139 /nfs/dbraw/zinc/68/51/39/677685139.db2.gz IODLHISCPNIRTN-UHFFFAOYSA-N 1 1 316.358 -2.869 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)CC[N@H+]1C ZINC001058641486 677685398 /nfs/dbraw/zinc/68/53/98/677685398.db2.gz BRARHFQPDMQUJB-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643458 677685516 /nfs/dbraw/zinc/68/55/16/677685516.db2.gz QVZWCUMUASWOSI-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)CC[N@H+]1C ZINC001058647887 677686062 /nfs/dbraw/zinc/68/60/62/677686062.db2.gz HQVWSXNERWZIBX-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075531620 677686262 /nfs/dbraw/zinc/68/62/62/677686262.db2.gz URBAEPPFDSFMFE-SDDRHHMPSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075531619 677686265 /nfs/dbraw/zinc/68/62/65/677686265.db2.gz URBAEPPFDSFMFE-QJPTWQEYSA-N 1 1 319.369 -1.516 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531357 677686276 /nfs/dbraw/zinc/68/62/76/677686276.db2.gz HQVPSNYCDYEBBH-SDDRHHMPSA-N 1 1 321.385 -1.318 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075532681 677686283 /nfs/dbraw/zinc/68/62/83/677686283.db2.gz MJMOBVJLYNJVJF-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531356 677686317 /nfs/dbraw/zinc/68/63/17/677686317.db2.gz HQVPSNYCDYEBBH-GRYCIOLGSA-N 1 1 321.385 -1.318 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531616 677686371 /nfs/dbraw/zinc/68/63/71/677686371.db2.gz UPHUOEASGQHMGU-GARJFASQSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531616 677686372 /nfs/dbraw/zinc/68/63/72/677686372.db2.gz UPHUOEASGQHMGU-GARJFASQSA-N 1 1 307.358 -1.660 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083286933 677686550 /nfs/dbraw/zinc/68/65/50/677686550.db2.gz KRDNKKWOWRRKPG-HZSPNIEDSA-N 1 1 311.382 -1.099 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083286933 677686551 /nfs/dbraw/zinc/68/65/51/677686551.db2.gz KRDNKKWOWRRKPG-HZSPNIEDSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001075542273 677686640 /nfs/dbraw/zinc/68/66/40/677686640.db2.gz GQJUHGHVBSNEHI-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CCNC(=O)CNC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001075542273 677686641 /nfs/dbraw/zinc/68/66/41/677686641.db2.gz GQJUHGHVBSNEHI-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083293854 677686888 /nfs/dbraw/zinc/68/68/88/677686888.db2.gz BGSIRBROEIYBEU-OUAUKWLOSA-N 1 1 311.338 -2.057 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083293854 677686889 /nfs/dbraw/zinc/68/68/89/677686889.db2.gz BGSIRBROEIYBEU-OUAUKWLOSA-N 1 1 311.338 -2.057 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001083294931 677686992 /nfs/dbraw/zinc/68/69/92/677686992.db2.gz AXDLWZGHOYCXKX-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC001083294931 677686993 /nfs/dbraw/zinc/68/69/93/677686993.db2.gz AXDLWZGHOYCXKX-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001083296199 677687087 /nfs/dbraw/zinc/68/70/87/677687087.db2.gz FNZWIDCMLLWMKA-TUAOUCFPSA-N 1 1 305.400 -1.551 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001083296200 677687095 /nfs/dbraw/zinc/68/70/95/677687095.db2.gz FNZWIDCMLLWMKA-UTUOFQBUSA-N 1 1 305.400 -1.551 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001083300839 677687308 /nfs/dbraw/zinc/68/73/08/677687308.db2.gz JCWYLOMKUKTOCN-XQQFMLRXSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O)C1CC1 ZINC001083300839 677687309 /nfs/dbraw/zinc/68/73/09/677687309.db2.gz JCWYLOMKUKTOCN-XQQFMLRXSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083304583 677687351 /nfs/dbraw/zinc/68/73/51/677687351.db2.gz BHAHKPSUASFEQW-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccccn1 ZINC001083308094 677687857 /nfs/dbraw/zinc/68/78/57/677687857.db2.gz KYKDXADTTXFGOK-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccccn1 ZINC001083308094 677687858 /nfs/dbraw/zinc/68/78/58/677687858.db2.gz KYKDXADTTXFGOK-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnccn1 ZINC001083317397 677688058 /nfs/dbraw/zinc/68/80/58/677688058.db2.gz URNBOXFJFYRDAU-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnccn1 ZINC001083317397 677688059 /nfs/dbraw/zinc/68/80/59/677688059.db2.gz URNBOXFJFYRDAU-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058843997 677688226 /nfs/dbraw/zinc/68/82/26/677688226.db2.gz QFPDJRLEUDKQSI-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058846659 677688239 /nfs/dbraw/zinc/68/82/39/677688239.db2.gz BOTHDVJVKOTQOI-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058843998 677688242 /nfs/dbraw/zinc/68/82/42/677688242.db2.gz QFPDJRLEUDKQSI-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001058844976 677688274 /nfs/dbraw/zinc/68/82/74/677688274.db2.gz AZEMKLNRBUFDKZ-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058848428 677688358 /nfs/dbraw/zinc/68/83/58/677688358.db2.gz FOZHNQDYOFFUIL-VHSXEESVSA-N 1 1 300.359 -2.394 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058848424 677688386 /nfs/dbraw/zinc/68/83/86/677688386.db2.gz FOZHNQDYOFFUIL-NXEZZACHSA-N 1 1 300.359 -2.394 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058849287 677688427 /nfs/dbraw/zinc/68/84/27/677688427.db2.gz QSQFBZDKQQXOCD-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849287 677688428 /nfs/dbraw/zinc/68/84/28/677688428.db2.gz QSQFBZDKQQXOCD-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849287 677688429 /nfs/dbraw/zinc/68/84/29/677688429.db2.gz QSQFBZDKQQXOCD-GHMZBOCLSA-N 1 1 324.385 -1.447 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1nnc[nH]1 ZINC001058889210 677688908 /nfs/dbraw/zinc/68/89/08/677688908.db2.gz AJXLLTIOJUJPFX-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cc2cnc[nH]2)C1 ZINC001058948985 677689851 /nfs/dbraw/zinc/68/98/51/677689851.db2.gz INXFPXCAJUVWSH-GFCCVEGCSA-N 1 1 323.397 -1.159 20 0 DAADMO CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1)C1CCC1 ZINC001083329434 677689989 /nfs/dbraw/zinc/68/99/89/677689989.db2.gz IPJSAXONYGHREZ-AGIUHOORSA-N 1 1 324.385 -1.351 20 0 DAADMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083329332 677690027 /nfs/dbraw/zinc/69/00/27/677690027.db2.gz DPCYPWDBNDDNEU-TUUUFIMRSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083329446 677690057 /nfs/dbraw/zinc/69/00/57/677690057.db2.gz IWHMPHMROCTSAO-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1=O ZINC001083329064 677690082 /nfs/dbraw/zinc/69/00/82/677690082.db2.gz RPHSOPBDUZDCHO-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1=O ZINC001083329064 677690083 /nfs/dbraw/zinc/69/00/83/677690083.db2.gz RPHSOPBDUZDCHO-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001028519264 677690254 /nfs/dbraw/zinc/69/02/54/677690254.db2.gz MACKHWWDIVUPBW-MNOVXSKESA-N 1 1 308.342 -1.175 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1COC(=O)N1 ZINC001028519266 677690285 /nfs/dbraw/zinc/69/02/85/677690285.db2.gz MACKHWWDIVUPBW-WDEREUQCSA-N 1 1 308.342 -1.175 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001028519903 677690336 /nfs/dbraw/zinc/69/03/36/677690336.db2.gz VZAKLTOWJXQOBB-GXSJLCMTSA-N 1 1 310.354 -1.189 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001028521113 677690382 /nfs/dbraw/zinc/69/03/82/677690382.db2.gz BZXNZTIEZDYWJE-LLVKDONJSA-N 1 1 321.385 -1.108 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001028519875 677690392 /nfs/dbraw/zinc/69/03/92/677690392.db2.gz VMDHIENEBZJOFF-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028520213 677690454 /nfs/dbraw/zinc/69/04/54/677690454.db2.gz YSSORJFTANINJL-KOLCDFICSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028520213 677690455 /nfs/dbraw/zinc/69/04/55/677690455.db2.gz YSSORJFTANINJL-KOLCDFICSA-N 1 1 308.342 -1.138 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982600463 677690467 /nfs/dbraw/zinc/69/04/67/677690467.db2.gz YJBHEBWADYFBCH-NZVBXONLSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083340485 677690893 /nfs/dbraw/zinc/69/08/93/677690893.db2.gz HSOPDLVENCBWGT-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083340485 677690894 /nfs/dbraw/zinc/69/08/94/677690894.db2.gz HSOPDLVENCBWGT-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353407 677691240 /nfs/dbraw/zinc/69/12/40/677691240.db2.gz CJRSQXRPRGCLMG-MNOVXSKESA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083353407 677691241 /nfs/dbraw/zinc/69/12/41/677691241.db2.gz CJRSQXRPRGCLMG-MNOVXSKESA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1ccn[nH]1 ZINC001083350356 677691269 /nfs/dbraw/zinc/69/12/69/677691269.db2.gz MTQUXYFOLSOMBA-UHTWSYAYSA-N 1 1 320.353 -1.558 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083358513 677691566 /nfs/dbraw/zinc/69/15/66/677691566.db2.gz NTZDGFWXRDOHNM-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083358513 677691567 /nfs/dbraw/zinc/69/15/67/677691567.db2.gz NTZDGFWXRDOHNM-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)[nH]n1 ZINC001083357054 677691581 /nfs/dbraw/zinc/69/15/81/677691581.db2.gz XXYYFDRFZMHVLY-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)[nH]n1 ZINC001083357054 677691582 /nfs/dbraw/zinc/69/15/82/677691582.db2.gz XXYYFDRFZMHVLY-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083367107 677691779 /nfs/dbraw/zinc/69/17/79/677691779.db2.gz PCJOLNVERTYKBB-OLZOCXBDSA-N 1 1 324.381 -1.133 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1=COCCC1 ZINC001083367107 677691780 /nfs/dbraw/zinc/69/17/80/677691780.db2.gz PCJOLNVERTYKBB-OLZOCXBDSA-N 1 1 324.381 -1.133 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368844 677691951 /nfs/dbraw/zinc/69/19/51/677691951.db2.gz YMNLDBXTKJRJSC-WOPDTQHZSA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368339 677691968 /nfs/dbraw/zinc/69/19/68/677691968.db2.gz KHVFCUXGYCCUAG-MXWKQRLJSA-N 1 1 309.374 -2.034 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)[nH]1 ZINC001083372380 677692064 /nfs/dbraw/zinc/69/20/64/677692064.db2.gz NOJOJBBBSYDVBP-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)[nH]1 ZINC001083372380 677692065 /nfs/dbraw/zinc/69/20/65/677692065.db2.gz NOJOJBBBSYDVBP-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC001083372755 677692100 /nfs/dbraw/zinc/69/21/00/677692100.db2.gz CWSHOUYBLSWXFP-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)[nH]1 ZINC001083372073 677692119 /nfs/dbraw/zinc/69/21/19/677692119.db2.gz ABWJMUBKIAWZJP-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)[nH]1 ZINC001083372073 677692120 /nfs/dbraw/zinc/69/21/20/677692120.db2.gz ABWJMUBKIAWZJP-NEPJUHHUSA-N 1 1 322.369 -1.482 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083378232 677692508 /nfs/dbraw/zinc/69/25/08/677692508.db2.gz HDYCANKMTRHPOX-NEPJUHHUSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083378232 677692509 /nfs/dbraw/zinc/69/25/09/677692509.db2.gz HDYCANKMTRHPOX-NEPJUHHUSA-N 1 1 306.326 -1.330 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083375971 677692522 /nfs/dbraw/zinc/69/25/22/677692522.db2.gz ZBBLKBWFGBMSES-ZJUUUORDSA-N 1 1 318.341 -1.875 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083375971 677692523 /nfs/dbraw/zinc/69/25/23/677692523.db2.gz ZBBLKBWFGBMSES-ZJUUUORDSA-N 1 1 318.341 -1.875 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1=O ZINC001083378327 677692589 /nfs/dbraw/zinc/69/25/89/677692589.db2.gz LKCWNYMRHMTEFC-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)C1=O ZINC001083378327 677692590 /nfs/dbraw/zinc/69/25/90/677692590.db2.gz LKCWNYMRHMTEFC-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083380829 677692811 /nfs/dbraw/zinc/69/28/11/677692811.db2.gz JQSAWYWPBHQSIV-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083380829 677692813 /nfs/dbraw/zinc/69/28/13/677692813.db2.gz JQSAWYWPBHQSIV-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)no1 ZINC001083385631 677692883 /nfs/dbraw/zinc/69/28/83/677692883.db2.gz UDOVVGSOOOLPTF-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)no1 ZINC001083385631 677692884 /nfs/dbraw/zinc/69/28/84/677692884.db2.gz UDOVVGSOOOLPTF-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1ccnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385359 677692916 /nfs/dbraw/zinc/69/29/16/677692916.db2.gz LUGHAVOOPJUMME-AGIUHOORSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385359 677692918 /nfs/dbraw/zinc/69/29/18/677692918.db2.gz LUGHAVOOPJUMME-AGIUHOORSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385442 677692930 /nfs/dbraw/zinc/69/29/30/677692930.db2.gz NYMZGFCFHSVAOE-WOPDTQHZSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385442 677692931 /nfs/dbraw/zinc/69/29/31/677692931.db2.gz NYMZGFCFHSVAOE-WOPDTQHZSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nccc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385193 677692951 /nfs/dbraw/zinc/69/29/51/677692951.db2.gz GFYWYMCPWCHKJG-HZSPNIEDSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1nccc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385193 677692952 /nfs/dbraw/zinc/69/29/52/677692952.db2.gz GFYWYMCPWCHKJG-HZSPNIEDSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385093 677692965 /nfs/dbraw/zinc/69/29/65/677692965.db2.gz DFEUJPGANAMKOY-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385093 677692967 /nfs/dbraw/zinc/69/29/67/677692967.db2.gz DFEUJPGANAMKOY-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1conc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385048 677693104 /nfs/dbraw/zinc/69/31/04/677693104.db2.gz CIGHJBNVFWQRIG-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1conc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385048 677693105 /nfs/dbraw/zinc/69/31/05/677693105.db2.gz CIGHJBNVFWQRIG-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083385302 677693107 /nfs/dbraw/zinc/69/31/07/677693107.db2.gz KFEAJPGTCFBOAU-FRRDWIJNSA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1 ZINC001083385302 677693108 /nfs/dbraw/zinc/69/31/08/677693108.db2.gz KFEAJPGTCFBOAU-FRRDWIJNSA-N 1 1 324.385 -2.230 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385125 677693116 /nfs/dbraw/zinc/69/31/16/677693116.db2.gz FASAGOLKXPVWOC-GRYCIOLGSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385125 677693117 /nfs/dbraw/zinc/69/31/17/677693117.db2.gz FASAGOLKXPVWOC-GRYCIOLGSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001028733077 677693812 /nfs/dbraw/zinc/69/38/12/677693812.db2.gz CORGSUFKFDFZKI-JTQLQIEISA-N 1 1 310.354 -1.080 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001028735267 677694057 /nfs/dbraw/zinc/69/40/57/677694057.db2.gz JKIZJMZPIJGECV-RYUDHWBXSA-N 1 1 323.397 -1.414 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735250 677694126 /nfs/dbraw/zinc/69/41/26/677694126.db2.gz JDUHGNPNGMKXSM-JQWIXIFHSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735250 677694127 /nfs/dbraw/zinc/69/41/27/677694127.db2.gz JDUHGNPNGMKXSM-JQWIXIFHSA-N 1 1 306.370 -1.111 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001028735266 677694130 /nfs/dbraw/zinc/69/41/30/677694130.db2.gz JKIZJMZPIJGECV-NWDGAFQWSA-N 1 1 323.397 -1.414 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001075707173 677694209 /nfs/dbraw/zinc/69/42/09/677694209.db2.gz PZUUXVDKXLGGOZ-BFHYXJOUSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001075707173 677694210 /nfs/dbraw/zinc/69/42/10/677694210.db2.gz PZUUXVDKXLGGOZ-BFHYXJOUSA-N 1 1 324.425 -1.062 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075708514 677694213 /nfs/dbraw/zinc/69/42/13/677694213.db2.gz FVCKHYHUNHCXFQ-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075708514 677694214 /nfs/dbraw/zinc/69/42/14/677694214.db2.gz FVCKHYHUNHCXFQ-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001075707347 677694278 /nfs/dbraw/zinc/69/42/78/677694278.db2.gz VFCHZGLLYVAHJL-XQQFMLRXSA-N 1 1 310.398 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001075707347 677694279 /nfs/dbraw/zinc/69/42/79/677694279.db2.gz VFCHZGLLYVAHJL-XQQFMLRXSA-N 1 1 310.398 -1.404 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075704642 677694352 /nfs/dbraw/zinc/69/43/52/677694352.db2.gz CSROCNUYNOYMIX-GARJFASQSA-N 1 1 320.353 -1.595 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710852 677694361 /nfs/dbraw/zinc/69/43/61/677694361.db2.gz OTMBEUCLVZXUCN-OUAUKWLOSA-N 1 1 322.369 -1.349 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1=CCCC1 ZINC001083402960 677694902 /nfs/dbraw/zinc/69/49/02/677694902.db2.gz GEKVEVCLXMTDTK-NEPJUHHUSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1=CCCC1 ZINC001083402960 677694904 /nfs/dbraw/zinc/69/49/04/677694904.db2.gz GEKVEVCLXMTDTK-NEPJUHHUSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001083402029 677694963 /nfs/dbraw/zinc/69/49/63/677694963.db2.gz KCDQSXCUOYKDJE-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001083402029 677694965 /nfs/dbraw/zinc/69/49/65/677694965.db2.gz KCDQSXCUOYKDJE-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083407534 677695547 /nfs/dbraw/zinc/69/55/47/677695547.db2.gz UUNGQBSNOGMPEC-UPJWGTAASA-N 1 1 322.365 -1.002 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075798795 677696459 /nfs/dbraw/zinc/69/64/59/677696459.db2.gz ONGWHMAPMCCAFA-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075796803 677696463 /nfs/dbraw/zinc/69/64/63/677696463.db2.gz DRBYWLXLPXSQJN-QJPTWQEYSA-N 1 1 319.369 -1.516 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797022 677696496 /nfs/dbraw/zinc/69/64/96/677696496.db2.gz NYKIAESSMXGVEH-CMPLNLGQSA-N 1 1 317.357 -1.466 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797022 677696497 /nfs/dbraw/zinc/69/64/97/677696497.db2.gz NYKIAESSMXGVEH-CMPLNLGQSA-N 1 1 317.357 -1.466 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415862 677696805 /nfs/dbraw/zinc/69/68/05/677696805.db2.gz YNEXBZBGDUWPRA-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083418875 677699023 /nfs/dbraw/zinc/69/90/23/677699023.db2.gz FEMLCMSHUUQTOX-MXWKQRLJSA-N 1 1 311.342 -1.819 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001075831175 677699905 /nfs/dbraw/zinc/69/99/05/677699905.db2.gz LXUCCRYOPAHGDZ-JBLDHEPKSA-N 1 1 302.396 -1.056 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC001075831175 677699908 /nfs/dbraw/zinc/69/99/08/677699908.db2.gz LXUCCRYOPAHGDZ-JBLDHEPKSA-N 1 1 302.396 -1.056 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@@H]1CCNC1=O ZINC001029712458 677702505 /nfs/dbraw/zinc/70/25/05/677702505.db2.gz UDDXCLYTMQJTRW-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@H](C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1)N1C(=O)CCC1=O ZINC000985462304 677702718 /nfs/dbraw/zinc/70/27/18/677702718.db2.gz MFZNIZZFOQOMPT-SNVBAGLBSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000985447729 677702783 /nfs/dbraw/zinc/70/27/83/677702783.db2.gz SOZPUOFUZQTHRN-SECBINFHSA-N 1 1 317.411 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000985447729 677702785 /nfs/dbraw/zinc/70/27/85/677702785.db2.gz SOZPUOFUZQTHRN-SECBINFHSA-N 1 1 317.411 -1.172 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCNC1=O ZINC001029712456 677703376 /nfs/dbraw/zinc/70/33/76/677703376.db2.gz UDDXCLYTMQJTRW-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040102071 677703393 /nfs/dbraw/zinc/70/33/93/677703393.db2.gz YPHWPAPOFCOPAA-AWEZNQCLSA-N 1 1 324.385 -1.162 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075859003 677703459 /nfs/dbraw/zinc/70/34/59/677703459.db2.gz OLTMLHVOTUDVBI-NWDGAFQWSA-N 1 1 317.411 -1.453 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075876844 677704427 /nfs/dbraw/zinc/70/44/27/677704427.db2.gz XJVGSBWWULVFJJ-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075876844 677704430 /nfs/dbraw/zinc/70/44/30/677704430.db2.gz XJVGSBWWULVFJJ-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)cc1=O ZINC001083426691 677704986 /nfs/dbraw/zinc/70/49/86/677704986.db2.gz UYVXIMNTOJUTHE-MNOVXSKESA-N 1 1 321.337 -1.350 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cc1=O ZINC001083426691 677704989 /nfs/dbraw/zinc/70/49/89/677704989.db2.gz UYVXIMNTOJUTHE-MNOVXSKESA-N 1 1 321.337 -1.350 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987192597 677706178 /nfs/dbraw/zinc/70/61/78/677706178.db2.gz UVVLWSZVPDGSDJ-SCZZXKLOSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987192598 677706411 /nfs/dbraw/zinc/70/64/11/677706411.db2.gz UVVLWSZVPDGSDJ-WCBMZHEXSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987192599 677706489 /nfs/dbraw/zinc/70/64/89/677706489.db2.gz UVVLWSZVPDGSDJ-WPRPVWTQSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000987298247 677707003 /nfs/dbraw/zinc/70/70/03/677707003.db2.gz XRDJJTRRWVBJNY-GRYCIOLGSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075889484 677707374 /nfs/dbraw/zinc/70/73/74/677707374.db2.gz MFCUOLSVARPLQF-QWHCGFSZSA-N 1 1 311.382 -1.240 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1cnnn1 ZINC000988094164 677708912 /nfs/dbraw/zinc/70/89/12/677708912.db2.gz WSMVGTXTSBVCBQ-WOPDTQHZSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cncn1 ZINC000988140473 677709139 /nfs/dbraw/zinc/70/91/39/677709139.db2.gz DOUWMSFSMFNZGM-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000897461680 677709913 /nfs/dbraw/zinc/70/99/13/677709913.db2.gz VIVHMCKKPCRBBL-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000897461679 677709966 /nfs/dbraw/zinc/70/99/66/677709966.db2.gz VIVHMCKKPCRBBL-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083432407 677711708 /nfs/dbraw/zinc/71/17/08/677711708.db2.gz ODBATALBEDVDJI-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083432407 677711709 /nfs/dbraw/zinc/71/17/09/677711709.db2.gz ODBATALBEDVDJI-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)CC(N)=O ZINC000988431394 677712247 /nfs/dbraw/zinc/71/22/47/677712247.db2.gz KNNSAETZAVHWEN-NXEZZACHSA-N 1 1 322.369 -1.237 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083437453 677712670 /nfs/dbraw/zinc/71/26/70/677712670.db2.gz RFVRQXPOVNQNDF-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083437453 677712672 /nfs/dbraw/zinc/71/26/72/677712672.db2.gz RFVRQXPOVNQNDF-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083442585 677714567 /nfs/dbraw/zinc/71/45/67/677714567.db2.gz VBMYTKDOFDKKES-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083442585 677714572 /nfs/dbraw/zinc/71/45/72/677714572.db2.gz VBMYTKDOFDKKES-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)n1 ZINC001083443152 677714687 /nfs/dbraw/zinc/71/46/87/677714687.db2.gz WDYPJWGXDYYSFF-NEPJUHHUSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)n1 ZINC001083443152 677714693 /nfs/dbraw/zinc/71/46/93/677714693.db2.gz WDYPJWGXDYYSFF-NEPJUHHUSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001083442727 677714878 /nfs/dbraw/zinc/71/48/78/677714878.db2.gz CVZVCHCTORBKKA-MNOVXSKESA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001083442727 677714881 /nfs/dbraw/zinc/71/48/81/677714881.db2.gz CVZVCHCTORBKKA-MNOVXSKESA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001083443039 677714896 /nfs/dbraw/zinc/71/48/96/677714896.db2.gz QLJPUXIXLFRQSX-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001083443039 677714897 /nfs/dbraw/zinc/71/48/97/677714897.db2.gz QLJPUXIXLFRQSX-PWSUYJOCSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083442720 677714912 /nfs/dbraw/zinc/71/49/12/677714912.db2.gz CRBHXSVBPHLUFY-MNOVXSKESA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001083442720 677714913 /nfs/dbraw/zinc/71/49/13/677714913.db2.gz CRBHXSVBPHLUFY-MNOVXSKESA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083445189 677715882 /nfs/dbraw/zinc/71/58/82/677715882.db2.gz PZCPZBOPVUKHCY-NEPJUHHUSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083445189 677715888 /nfs/dbraw/zinc/71/58/88/677715888.db2.gz PZCPZBOPVUKHCY-NEPJUHHUSA-N 1 1 319.369 -1.434 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083447350 677716684 /nfs/dbraw/zinc/71/66/84/677716684.db2.gz NJJCGAVEFSMKFV-PWSUYJOCSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083447350 677716686 /nfs/dbraw/zinc/71/66/86/677716686.db2.gz NJJCGAVEFSMKFV-PWSUYJOCSA-N 1 1 320.357 -1.635 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083451372 677717161 /nfs/dbraw/zinc/71/71/61/677717161.db2.gz LSOYDBQSJBVVSB-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083451372 677717165 /nfs/dbraw/zinc/71/71/65/677717165.db2.gz LSOYDBQSJBVVSB-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001083453104 677717796 /nfs/dbraw/zinc/71/77/96/677717796.db2.gz PNWHGAJOPWZNHG-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001083460284 677718279 /nfs/dbraw/zinc/71/82/79/677718279.db2.gz ZJIOPRBDEFDIBJ-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001083460284 677718280 /nfs/dbraw/zinc/71/82/80/677718280.db2.gz ZJIOPRBDEFDIBJ-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083460503 677718394 /nfs/dbraw/zinc/71/83/94/677718394.db2.gz KVEDOTKJJVAIQY-BNOWGMLFSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1nn([C@@H]2CCOC2)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083460503 677718398 /nfs/dbraw/zinc/71/83/98/677718398.db2.gz KVEDOTKJJVAIQY-BNOWGMLFSA-N 1 1 324.381 -1.080 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)c1 ZINC001083462744 677719682 /nfs/dbraw/zinc/71/96/82/677719682.db2.gz XZZFAYTZIAFNJM-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)c1 ZINC001083462744 677719683 /nfs/dbraw/zinc/71/96/83/677719683.db2.gz XZZFAYTZIAFNJM-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001083463980 677720065 /nfs/dbraw/zinc/72/00/65/677720065.db2.gz JZHNLVOGTIXJPI-UTUOFQBUSA-N 1 1 310.358 -1.739 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001075941402 677720153 /nfs/dbraw/zinc/72/01/53/677720153.db2.gz TVPSEVRHLCDCBX-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083463908 677720499 /nfs/dbraw/zinc/72/04/99/677720499.db2.gz GMPKTIQJIHWVHE-NEPJUHHUSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083463886 677720675 /nfs/dbraw/zinc/72/06/75/677720675.db2.gz FPOIXWZTWMACHF-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083463932 677720835 /nfs/dbraw/zinc/72/08/35/677720835.db2.gz HPPBXXNHPGCQSF-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1=O ZINC001083464243 677720851 /nfs/dbraw/zinc/72/08/51/677720851.db2.gz WVHNXNGNVJKBAW-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1=O ZINC001083464243 677720854 /nfs/dbraw/zinc/72/08/54/677720854.db2.gz WVHNXNGNVJKBAW-VWYCJHECSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990187776 677721493 /nfs/dbraw/zinc/72/14/93/677721493.db2.gz KOZFSVWRARLUNA-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CCCC3=O)C2)C1 ZINC000990197165 677722061 /nfs/dbraw/zinc/72/20/61/677722061.db2.gz SXYMGQBBZVJIGG-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075968709 677723174 /nfs/dbraw/zinc/72/31/74/677723174.db2.gz JJGGOLJMFMAPOC-SDDRHHMPSA-N 1 1 309.370 -1.505 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075968522 677723270 /nfs/dbraw/zinc/72/32/70/677723270.db2.gz FVWVBQXQBXKWHR-NWDGAFQWSA-N 1 1 309.370 -1.239 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985215 677723445 /nfs/dbraw/zinc/72/34/45/677723445.db2.gz AIUZFJNIQSZKCB-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985215 677723449 /nfs/dbraw/zinc/72/34/49/677723449.db2.gz AIUZFJNIQSZKCB-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075978722 677723727 /nfs/dbraw/zinc/72/37/27/677723727.db2.gz XBONNBXUZIXBOC-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075978722 677723730 /nfs/dbraw/zinc/72/37/30/677723730.db2.gz XBONNBXUZIXBOC-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075983176 677723813 /nfs/dbraw/zinc/72/38/13/677723813.db2.gz VCSJAUQKFWTGFE-CMPLNLGQSA-N 1 1 319.369 -1.024 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473794 677723983 /nfs/dbraw/zinc/72/39/83/677723983.db2.gz WQMDKEPQBLYLMZ-YIZRAAEISA-N 1 1 312.330 -3.081 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473639 677724081 /nfs/dbraw/zinc/72/40/81/677724081.db2.gz MQEKJTUIVZUFAK-BDAKNGLRSA-N 1 1 312.330 -2.815 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)n1 ZINC001083477637 677724697 /nfs/dbraw/zinc/72/46/97/677724697.db2.gz XGEVGSBQBIRGEA-ZJUUUORDSA-N 1 1 312.374 -1.415 20 0 DAADMO CC(C)(C)n1nnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001083477637 677724701 /nfs/dbraw/zinc/72/47/01/677724701.db2.gz XGEVGSBQBIRGEA-ZJUUUORDSA-N 1 1 312.374 -1.415 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083478124 677724810 /nfs/dbraw/zinc/72/48/10/677724810.db2.gz WGBYDEUJTPBLOH-AEJSXWLSSA-N 1 1 312.374 -1.416 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001083478124 677724812 /nfs/dbraw/zinc/72/48/12/677724812.db2.gz WGBYDEUJTPBLOH-AEJSXWLSSA-N 1 1 312.374 -1.416 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083482469 677725349 /nfs/dbraw/zinc/72/53/49/677725349.db2.gz GKWXRJSJGKRKNT-MNOVXSKESA-N 1 1 321.337 -1.659 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083482469 677725351 /nfs/dbraw/zinc/72/53/51/677725351.db2.gz GKWXRJSJGKRKNT-MNOVXSKESA-N 1 1 321.337 -1.659 20 0 DAADMO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083483796 677725372 /nfs/dbraw/zinc/72/53/72/677725372.db2.gz IWTWDVZCBGLLBA-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)CC1 ZINC001083481467 677725410 /nfs/dbraw/zinc/72/54/10/677725410.db2.gz JAZOUASHCYWHPW-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)COc1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC001083504186 677727952 /nfs/dbraw/zinc/72/79/52/677727952.db2.gz SGTHOPQNJAOOJI-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001083504186 677727957 /nfs/dbraw/zinc/72/79/57/677727957.db2.gz SGTHOPQNJAOOJI-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001083505586 677728704 /nfs/dbraw/zinc/72/87/04/677728704.db2.gz UQSURAWISRYCPE-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083506498 677728776 /nfs/dbraw/zinc/72/87/76/677728776.db2.gz KUGATNIWPKWHSC-NEPJUHHUSA-N 1 1 317.411 -1.407 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504537 677728827 /nfs/dbraw/zinc/72/88/27/677728827.db2.gz FRZPLYVAGBCBDD-TUAOUCFPSA-N 1 1 315.370 -2.365 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076002844 677729025 /nfs/dbraw/zinc/72/90/25/677729025.db2.gz DYMMCPHVOJQVSA-SDDRHHMPSA-N 1 1 322.365 -1.138 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001083508295 677729325 /nfs/dbraw/zinc/72/93/25/677729325.db2.gz ZVODJDGVUZHKNJ-MNOVXSKESA-N 1 1 306.326 -1.226 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001083508295 677729329 /nfs/dbraw/zinc/72/93/29/677729329.db2.gz ZVODJDGVUZHKNJ-MNOVXSKESA-N 1 1 306.326 -1.226 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083520672 677730264 /nfs/dbraw/zinc/73/02/64/677730264.db2.gz UTPATRHMCKUAOH-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001083522339 677730852 /nfs/dbraw/zinc/73/08/52/677730852.db2.gz CJZKBDNEXOVQKQ-BIMULSAOSA-N 1 1 309.370 -1.302 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001083522340 677730924 /nfs/dbraw/zinc/73/09/24/677730924.db2.gz CJZKBDNEXOVQKQ-WQAKAFBOSA-N 1 1 309.370 -1.302 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083522410 677731086 /nfs/dbraw/zinc/73/10/86/677731086.db2.gz GBDRPJZPKRFOQH-OLZOCXBDSA-N 1 1 309.370 -1.301 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083528873 677731153 /nfs/dbraw/zinc/73/11/53/677731153.db2.gz NRVUEMXPUXXSPT-OLZOCXBDSA-N 1 1 311.382 -1.027 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534327 677731346 /nfs/dbraw/zinc/73/13/46/677731346.db2.gz NVHZJSIWJLQCAK-YIZRAAEISA-N 1 1 300.315 -2.608 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529923 677731617 /nfs/dbraw/zinc/73/16/17/677731617.db2.gz OBGUBKYEFIQTNI-TUAOUCFPSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529923 677731620 /nfs/dbraw/zinc/73/16/20/677731620.db2.gz OBGUBKYEFIQTNI-TUAOUCFPSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529882 677731674 /nfs/dbraw/zinc/73/16/74/677731674.db2.gz LJZYTODMKOFCED-AXFHLTTASA-N 1 1 301.343 -2.613 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530644 677731739 /nfs/dbraw/zinc/73/17/39/677731739.db2.gz YHJLXPUARCBXGX-TUAOUCFPSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529974 677731752 /nfs/dbraw/zinc/73/17/52/677731752.db2.gz QSCAHCBAMQHQFP-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076008977 677732113 /nfs/dbraw/zinc/73/21/13/677732113.db2.gz PRGRNDGAKPJBLR-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076008977 677732115 /nfs/dbraw/zinc/73/21/15/677732115.db2.gz PRGRNDGAKPJBLR-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001076028832 677732600 /nfs/dbraw/zinc/73/26/00/677732600.db2.gz PBOMIDJZMDNSSG-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001076028832 677732601 /nfs/dbraw/zinc/73/26/01/677732601.db2.gz PBOMIDJZMDNSSG-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001076027422 677732777 /nfs/dbraw/zinc/73/27/77/677732777.db2.gz OVARFMJVIPBQBM-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001076027422 677732778 /nfs/dbraw/zinc/73/27/78/677732778.db2.gz OVARFMJVIPBQBM-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001076028862 677732989 /nfs/dbraw/zinc/73/29/89/677732989.db2.gz QCZLENNKXWTNDO-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001076028862 677732990 /nfs/dbraw/zinc/73/29/90/677732990.db2.gz QCZLENNKXWTNDO-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001076085089 677733511 /nfs/dbraw/zinc/73/35/11/677733511.db2.gz ZXAYNAAKFRVJEY-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC001076085089 677733513 /nfs/dbraw/zinc/73/35/13/677733513.db2.gz ZXAYNAAKFRVJEY-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001076084786 677733568 /nfs/dbraw/zinc/73/35/68/677733568.db2.gz JTTFIGZPLXUINE-FRRDWIJNSA-N 1 1 323.397 -1.115 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076128179 677733919 /nfs/dbraw/zinc/73/39/19/677733919.db2.gz HJVKPDGPADGKCI-QWHCGFSZSA-N 1 1 310.398 -1.667 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128340 677733922 /nfs/dbraw/zinc/73/39/22/677733922.db2.gz RKNLWHOYENPXDH-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC001076138268 677734685 /nfs/dbraw/zinc/73/46/85/677734685.db2.gz SKXFXXFOPLPPLN-IVZWLZJFSA-N 1 1 305.342 -1.755 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 ZINC001076163926 677734727 /nfs/dbraw/zinc/73/47/27/677734727.db2.gz YCKIQMPBDJWWDJ-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 ZINC001076163926 677734731 /nfs/dbraw/zinc/73/47/31/677734731.db2.gz YCKIQMPBDJWWDJ-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1cc(OCC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC001076183683 677734789 /nfs/dbraw/zinc/73/47/89/677734789.db2.gz NWDDTMKVDVVFDL-CMPLNLGQSA-N 1 1 307.354 -1.183 20 0 DAADMO Cn1cc(OCC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC001076183683 677734792 /nfs/dbraw/zinc/73/47/92/677734792.db2.gz NWDDTMKVDVVFDL-CMPLNLGQSA-N 1 1 307.354 -1.183 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)n1 ZINC001076138109 677734943 /nfs/dbraw/zinc/73/49/43/677734943.db2.gz NZQWEGYWPYLKON-GARJFASQSA-N 1 1 319.369 -1.365 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076200135 677735268 /nfs/dbraw/zinc/73/52/68/677735268.db2.gz IKHOFTFTJZIUQI-VHSXEESVSA-N 1 1 308.338 -1.847 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076199479 677735500 /nfs/dbraw/zinc/73/55/00/677735500.db2.gz NDNSMORUNXZOCR-GARJFASQSA-N 1 1 304.354 -1.217 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)n1 ZINC001076198683 677735537 /nfs/dbraw/zinc/73/55/37/677735537.db2.gz IPHKWZKAOHIARJ-NWDGAFQWSA-N 1 1 306.370 -1.087 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001076196375 677735563 /nfs/dbraw/zinc/73/55/63/677735563.db2.gz CGEUEKVOCQCCCY-QJPTWQEYSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001076196375 677735565 /nfs/dbraw/zinc/73/55/65/677735565.db2.gz CGEUEKVOCQCCCY-QJPTWQEYSA-N 1 1 321.381 -1.567 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)O1 ZINC001076236958 677736938 /nfs/dbraw/zinc/73/69/38/677736938.db2.gz LLGBUXFWWLYYRQ-QNWHQSFQSA-N 1 1 311.382 -1.066 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001083545435 677738433 /nfs/dbraw/zinc/73/84/33/677738433.db2.gz PXJOWETWCKXBSR-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCCNC1=O ZINC001083545435 677738437 /nfs/dbraw/zinc/73/84/37/677738437.db2.gz PXJOWETWCKXBSR-TUAOUCFPSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076299902 677738653 /nfs/dbraw/zinc/73/86/53/677738653.db2.gz PXDJQSFHDDQKCZ-GARJFASQSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076333734 677739110 /nfs/dbraw/zinc/73/91/10/677739110.db2.gz FFMSDIAMAQOBRS-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076333734 677739113 /nfs/dbraw/zinc/73/91/13/677739113.db2.gz FFMSDIAMAQOBRS-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)cn1C ZINC001083546647 677739167 /nfs/dbraw/zinc/73/91/67/677739167.db2.gz YLOHXTCBTCFKBX-QKCSRTOESA-N 1 1 309.366 -1.151 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cn1C ZINC001083546647 677739169 /nfs/dbraw/zinc/73/91/69/677739169.db2.gz YLOHXTCBTCFKBX-QKCSRTOESA-N 1 1 309.366 -1.151 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076338986 677739776 /nfs/dbraw/zinc/73/97/76/677739776.db2.gz UAQFJINPCMRRIG-WDEREUQCSA-N 1 1 321.385 -1.186 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076338986 677739777 /nfs/dbraw/zinc/73/97/77/677739777.db2.gz UAQFJINPCMRRIG-WDEREUQCSA-N 1 1 321.385 -1.186 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076366742 677740262 /nfs/dbraw/zinc/74/02/62/677740262.db2.gz GOGIJILGEXAVHI-NWDGAFQWSA-N 1 1 322.365 -1.548 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001076369433 677740374 /nfs/dbraw/zinc/74/03/74/677740374.db2.gz XBFLTCQXJCOAPP-WDEREUQCSA-N 1 1 310.354 -1.283 20 0 DAADMO CCn1nc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001076372253 677740667 /nfs/dbraw/zinc/74/06/67/677740667.db2.gz RZZRLTAGBTUUJA-CMPLNLGQSA-N 1 1 319.365 -1.105 20 0 DAADMO CCn1nc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001076372253 677740671 /nfs/dbraw/zinc/74/06/71/677740671.db2.gz RZZRLTAGBTUUJA-CMPLNLGQSA-N 1 1 319.365 -1.105 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083547201 677741861 /nfs/dbraw/zinc/74/18/61/677741861.db2.gz ZDCREVDGOXGHAD-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076430324 677742112 /nfs/dbraw/zinc/74/21/12/677742112.db2.gz HBJPTTXMIFBPBY-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001076454612 677742447 /nfs/dbraw/zinc/74/24/47/677742447.db2.gz CQDOURGTCOEXIF-SDDRHHMPSA-N 1 1 324.381 -1.206 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001076454823 677742520 /nfs/dbraw/zinc/74/25/20/677742520.db2.gz HKFYPKJXWSKXDD-WDEREUQCSA-N 1 1 310.354 -1.595 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC001076454878 677742645 /nfs/dbraw/zinc/74/26/45/677742645.db2.gz JDJOKDDCHSQHNQ-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)c(=O)n1C ZINC001076519330 677743621 /nfs/dbraw/zinc/74/36/21/677743621.db2.gz ZUPJGCFFQCSHBB-WCFLWFBJSA-N 1 1 323.397 -1.196 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccccc3=O)[C@@H]2C1 ZINC001076554415 677743807 /nfs/dbraw/zinc/74/38/07/677743807.db2.gz PMJJWKOLSROUKC-NWDGAFQWSA-N 1 1 304.350 -1.134 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccccc3=O)[C@@H]2C1 ZINC001076554415 677743809 /nfs/dbraw/zinc/74/38/09/677743809.db2.gz PMJJWKOLSROUKC-NWDGAFQWSA-N 1 1 304.350 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548698 677744152 /nfs/dbraw/zinc/74/41/52/677744152.db2.gz DSISAQRZADFPQF-IVZWLZJFSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001076548698 677744154 /nfs/dbraw/zinc/74/41/54/677744154.db2.gz DSISAQRZADFPQF-IVZWLZJFSA-N 1 1 323.353 -2.007 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001076544910 677744198 /nfs/dbraw/zinc/74/41/98/677744198.db2.gz FYWWKTXFPFBIOJ-SDDRHHMPSA-N 1 1 324.381 -1.206 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549166 677744274 /nfs/dbraw/zinc/74/42/74/677744274.db2.gz XLEPPLXUQRUAPC-GARJFASQSA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549166 677744277 /nfs/dbraw/zinc/74/42/77/677744277.db2.gz XLEPPLXUQRUAPC-GARJFASQSA-N 1 1 322.365 -1.458 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076548645 677744396 /nfs/dbraw/zinc/74/43/96/677744396.db2.gz BHHDGDGGAMOGIY-SDDRHHMPSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001076585739 677744489 /nfs/dbraw/zinc/74/44/89/677744489.db2.gz SCEKWKPJPSHFNP-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001083550054 677744683 /nfs/dbraw/zinc/74/46/83/677744683.db2.gz OPFNMZPFVWPPLD-UPJWGTAASA-N 1 1 321.381 -1.287 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCCC(=O)N1 ZINC001083550054 677744686 /nfs/dbraw/zinc/74/46/86/677744686.db2.gz OPFNMZPFVWPPLD-UPJWGTAASA-N 1 1 321.381 -1.287 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001076585440 677744764 /nfs/dbraw/zinc/74/47/64/677744764.db2.gz KVTKIEHLBYGOAA-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001076601051 677744782 /nfs/dbraw/zinc/74/47/82/677744782.db2.gz YZMDSSRZGBQRLL-SDDRHHMPSA-N 1 1 318.381 -1.142 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC001076601051 677744784 /nfs/dbraw/zinc/74/47/84/677744784.db2.gz YZMDSSRZGBQRLL-SDDRHHMPSA-N 1 1 318.381 -1.142 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076589797 677744861 /nfs/dbraw/zinc/74/48/61/677744861.db2.gz OIQKYGVLNDYFRZ-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581945 677744972 /nfs/dbraw/zinc/74/49/72/677744972.db2.gz DNHLXTWOIIIMPU-IVZWLZJFSA-N 1 1 316.383 -2.304 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581945 677744975 /nfs/dbraw/zinc/74/49/75/677744975.db2.gz DNHLXTWOIIIMPU-IVZWLZJFSA-N 1 1 316.383 -2.304 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001076588322 677744989 /nfs/dbraw/zinc/74/49/89/677744989.db2.gz QLSHOCWPDCAVRG-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645189 677746572 /nfs/dbraw/zinc/74/65/72/677746572.db2.gz CZPWQNSDQQATLU-HBNTYKKESA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076645189 677746574 /nfs/dbraw/zinc/74/65/74/677746574.db2.gz CZPWQNSDQQATLU-HBNTYKKESA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 ZINC001076644468 677746680 /nfs/dbraw/zinc/74/66/80/677746680.db2.gz OSYLFZYRESKFEX-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)[C@@H]2C1 ZINC001076644468 677746684 /nfs/dbraw/zinc/74/66/84/677746684.db2.gz OSYLFZYRESKFEX-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001076649611 677747031 /nfs/dbraw/zinc/74/70/31/677747031.db2.gz RNELPOGDCGHJRE-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001076653738 677748055 /nfs/dbraw/zinc/74/80/55/677748055.db2.gz ZPQUYIWUTXQJSJ-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001076663359 677748118 /nfs/dbraw/zinc/74/81/18/677748118.db2.gz JCWYLOMKUKTOCN-YNEHKIRRSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)C1CC1 ZINC001076663359 677748121 /nfs/dbraw/zinc/74/81/21/677748121.db2.gz JCWYLOMKUKTOCN-YNEHKIRRSA-N 1 1 311.382 -1.459 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)C(F)F ZINC001076659725 677748356 /nfs/dbraw/zinc/74/83/56/677748356.db2.gz GKCBRWFCJJHSFO-IVZWLZJFSA-N 1 1 321.324 -1.604 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O)C(F)F ZINC001076659725 677748361 /nfs/dbraw/zinc/74/83/61/677748361.db2.gz GKCBRWFCJJHSFO-IVZWLZJFSA-N 1 1 321.324 -1.604 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723061 677750986 /nfs/dbraw/zinc/75/09/86/677750986.db2.gz JIKXGGPPRBTRGL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723061 677750989 /nfs/dbraw/zinc/75/09/89/677750989.db2.gz JIKXGGPPRBTRGL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CCCO1 ZINC001076716706 677751161 /nfs/dbraw/zinc/75/11/61/677751161.db2.gz WPDZGRNJIIFTFA-UTUOFQBUSA-N 1 1 312.370 -1.648 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CCCO1 ZINC001076716706 677751165 /nfs/dbraw/zinc/75/11/65/677751165.db2.gz WPDZGRNJIIFTFA-UTUOFQBUSA-N 1 1 312.370 -1.648 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001076724364 677751621 /nfs/dbraw/zinc/75/16/21/677751621.db2.gz RPHSOPBDUZDCHO-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001076724364 677751625 /nfs/dbraw/zinc/75/16/25/677751625.db2.gz RPHSOPBDUZDCHO-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001076724405 677751685 /nfs/dbraw/zinc/75/16/85/677751685.db2.gz UGZDEJYTKAMMFZ-IJLUTSLNSA-N 1 1 310.358 -1.597 20 0 DAADMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC001076723890 677751723 /nfs/dbraw/zinc/75/17/23/677751723.db2.gz DPCYPWDBNDDNEU-FIYWTHMPSA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001076724506 677752121 /nfs/dbraw/zinc/75/21/21/677752121.db2.gz YSXDEDLTQQYXBP-YNEHKIRRSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001076728858 677752279 /nfs/dbraw/zinc/75/22/79/677752279.db2.gz TVTYGRGDRYPJDW-YNEHKIRRSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001076724412 677752387 /nfs/dbraw/zinc/75/23/87/677752387.db2.gz UKEFWQSEDDGQOD-QJPTWQEYSA-N 1 1 310.358 -1.739 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cnn1C ZINC001076748953 677753982 /nfs/dbraw/zinc/75/39/82/677753982.db2.gz YKCGBTZFQGDHSI-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cnn1C ZINC001076748953 677753986 /nfs/dbraw/zinc/75/39/86/677753986.db2.gz YKCGBTZFQGDHSI-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001076756229 677754066 /nfs/dbraw/zinc/75/40/66/677754066.db2.gz ADFPOGLAGNORMS-YNEHKIRRSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001076756229 677754071 /nfs/dbraw/zinc/75/40/71/677754071.db2.gz ADFPOGLAGNORMS-YNEHKIRRSA-N 1 1 313.398 -1.213 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076761622 677754285 /nfs/dbraw/zinc/75/42/85/677754285.db2.gz CRUONWWEFNQPPR-NXEZZACHSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076761622 677754288 /nfs/dbraw/zinc/75/42/88/677754288.db2.gz CRUONWWEFNQPPR-NXEZZACHSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076762333 677754628 /nfs/dbraw/zinc/75/46/28/677754628.db2.gz WYRRGYMXFWUONZ-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ccn[nH]1 ZINC001076762333 677754632 /nfs/dbraw/zinc/75/46/32/677754632.db2.gz WYRRGYMXFWUONZ-VXGBXAGGSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cn[nH]c1 ZINC001076758876 677754673 /nfs/dbraw/zinc/75/46/73/677754673.db2.gz HLQAFYVNVCPRJB-YNEHKIRRSA-N 1 1 320.353 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1COCCO1 ZINC001076759760 677754886 /nfs/dbraw/zinc/75/48/86/677754886.db2.gz AATKQFHAFXDBJO-IJLUTSLNSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1COCCO1 ZINC001076759760 677754889 /nfs/dbraw/zinc/75/48/89/677754889.db2.gz AATKQFHAFXDBJO-IJLUTSLNSA-N 1 1 311.342 -2.145 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccn[nH]1 ZINC001076762074 677754927 /nfs/dbraw/zinc/75/49/27/677754927.db2.gz MTQUXYFOLSOMBA-RAIGVLPGSA-N 1 1 320.353 -1.558 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001076760163 677755219 /nfs/dbraw/zinc/75/52/19/677755219.db2.gz GTYQFIHNRNHOQH-MGPQQGTHSA-N 1 1 324.381 -1.461 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001076770355 677755271 /nfs/dbraw/zinc/75/52/71/677755271.db2.gz PPKCQEVNOMYTKG-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)C1 ZINC001076770355 677755273 /nfs/dbraw/zinc/75/52/73/677755273.db2.gz PPKCQEVNOMYTKG-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001076760162 677755295 /nfs/dbraw/zinc/75/52/95/677755295.db2.gz GTYQFIHNRNHOQH-MCIONIFRSA-N 1 1 324.381 -1.461 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1COCCO1 ZINC001076760038 677755504 /nfs/dbraw/zinc/75/55/04/677755504.db2.gz FZNULGLCGRZDLU-MGPQQGTHSA-N 1 1 314.382 -1.010 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)[nH]n1 ZINC001076782633 677756643 /nfs/dbraw/zinc/75/66/43/677756643.db2.gz SXQVSPYYPOECJH-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)[nH]n1 ZINC001076782633 677756645 /nfs/dbraw/zinc/75/66/45/677756645.db2.gz SXQVSPYYPOECJH-VXGBXAGGSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)nn1C ZINC001076787397 677756980 /nfs/dbraw/zinc/75/69/80/677756980.db2.gz RYFGWXQOPRIUIF-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1C ZINC001076787397 677756985 /nfs/dbraw/zinc/75/69/85/677756985.db2.gz RYFGWXQOPRIUIF-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076803540 677758435 /nfs/dbraw/zinc/75/84/35/677758435.db2.gz JHDSJZXSHYSDEY-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076803540 677758437 /nfs/dbraw/zinc/75/84/37/677758437.db2.gz JHDSJZXSHYSDEY-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001076805556 677758445 /nfs/dbraw/zinc/75/84/45/677758445.db2.gz MGEPFWXFJNFQOR-JHJVBQTASA-N 1 1 308.386 -1.466 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001076812815 677759714 /nfs/dbraw/zinc/75/97/14/677759714.db2.gz UWCAONMKOIRQEQ-GRYCIOLGSA-N 1 1 308.386 -1.131 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001076812704 677759800 /nfs/dbraw/zinc/75/98/00/677759800.db2.gz QWHKRKWMSGJGCA-JHJVBQTASA-N 1 1 308.386 -1.429 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812939 677759914 /nfs/dbraw/zinc/75/99/14/677759914.db2.gz YMNLDBXTKJRJSC-GRYCIOLGSA-N 1 1 308.386 -1.429 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076826276 677760599 /nfs/dbraw/zinc/76/05/99/677760599.db2.gz AJGSMCHDCPSHJN-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076826276 677760602 /nfs/dbraw/zinc/76/06/02/677760602.db2.gz AJGSMCHDCPSHJN-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076834300 677761648 /nfs/dbraw/zinc/76/16/48/677761648.db2.gz LUGHAVOOPJUMME-JHJVBQTASA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076834300 677761652 /nfs/dbraw/zinc/76/16/52/677761652.db2.gz LUGHAVOOPJUMME-JHJVBQTASA-N 1 1 323.397 -1.588 20 0 DAADMO Cc1nocc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076835980 677761753 /nfs/dbraw/zinc/76/17/53/677761753.db2.gz SIBJQLKVFLLTAC-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nocc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076835980 677761757 /nfs/dbraw/zinc/76/17/57/677761757.db2.gz SIBJQLKVFLLTAC-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001076838773 677761930 /nfs/dbraw/zinc/76/19/30/677761930.db2.gz MCBJXHHWVACVPS-IJLUTSLNSA-N 1 1 311.342 -1.939 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@H]2O)C1 ZINC001076838773 677761934 /nfs/dbraw/zinc/76/19/34/677761934.db2.gz MCBJXHHWVACVPS-IJLUTSLNSA-N 1 1 311.342 -1.939 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001076851533 677762295 /nfs/dbraw/zinc/76/22/95/677762295.db2.gz PMHGMKMVGIXXPZ-MVWJERBFSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC001076851533 677762297 /nfs/dbraw/zinc/76/22/97/677762297.db2.gz PMHGMKMVGIXXPZ-MVWJERBFSA-N 1 1 324.381 -1.254 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076887319 677764926 /nfs/dbraw/zinc/76/49/26/677764926.db2.gz XUMZUWOZYIBAKM-QJPTWQEYSA-N 1 1 323.353 -1.607 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076887319 677764929 /nfs/dbraw/zinc/76/49/29/677764929.db2.gz XUMZUWOZYIBAKM-QJPTWQEYSA-N 1 1 323.353 -1.607 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)c1 ZINC001076883428 677764950 /nfs/dbraw/zinc/76/49/50/677764950.db2.gz VXAIIRWMAOWUBR-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)c1 ZINC001076883428 677764953 /nfs/dbraw/zinc/76/49/53/677764953.db2.gz VXAIIRWMAOWUBR-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909485 677766595 /nfs/dbraw/zinc/76/65/95/677766595.db2.gz CLCALTJUGJARMZ-IVZWLZJFSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909485 677766598 /nfs/dbraw/zinc/76/65/98/677766598.db2.gz CLCALTJUGJARMZ-IVZWLZJFSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909490 677766756 /nfs/dbraw/zinc/76/67/56/677766756.db2.gz CLCALTJUGJARMZ-OPRDCNLKSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909490 677766757 /nfs/dbraw/zinc/76/67/57/677766757.db2.gz CLCALTJUGJARMZ-OPRDCNLKSA-N 1 1 301.322 -1.107 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076904331 677767926 /nfs/dbraw/zinc/76/79/26/677767926.db2.gz YNEXBZBGDUWPRA-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076908374 677768232 /nfs/dbraw/zinc/76/82/32/677768232.db2.gz CMJGWJAPOPNWNA-FRRDWIJNSA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076908374 677768234 /nfs/dbraw/zinc/76/82/34/677768234.db2.gz CMJGWJAPOPNWNA-FRRDWIJNSA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076908375 677768359 /nfs/dbraw/zinc/76/83/59/677768359.db2.gz CMJGWJAPOPNWNA-JHJVBQTASA-N 1 1 324.385 -2.230 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076908375 677768361 /nfs/dbraw/zinc/76/83/61/677768361.db2.gz CMJGWJAPOPNWNA-JHJVBQTASA-N 1 1 324.385 -2.230 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)c1N ZINC001076913018 677768983 /nfs/dbraw/zinc/76/89/83/677768983.db2.gz HGGDFCWUERYLOH-MVWJERBFSA-N 1 1 309.370 -1.186 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076945928 677771225 /nfs/dbraw/zinc/77/12/25/677771225.db2.gz RFVRQXPOVNQNDF-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076945928 677771227 /nfs/dbraw/zinc/77/12/27/677771227.db2.gz RFVRQXPOVNQNDF-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942185 677771842 /nfs/dbraw/zinc/77/18/42/677771842.db2.gz HEISKGROHZWOFF-GRYCIOLGSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942364 677771944 /nfs/dbraw/zinc/77/19/44/677771944.db2.gz MOFHJGUPBFZUGD-OPRDCNLKSA-N 1 1 310.314 -2.452 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942364 677771947 /nfs/dbraw/zinc/77/19/47/677771947.db2.gz MOFHJGUPBFZUGD-OPRDCNLKSA-N 1 1 310.314 -2.452 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001076958285 677773324 /nfs/dbraw/zinc/77/33/24/677773324.db2.gz CVZVCHCTORBKKA-GHMZBOCLSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)n1 ZINC001076958285 677773327 /nfs/dbraw/zinc/77/33/27/677773327.db2.gz CVZVCHCTORBKKA-GHMZBOCLSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)nn1 ZINC001076960671 677774041 /nfs/dbraw/zinc/77/40/41/677774041.db2.gz ORKKAYLTDKIEDI-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)nn1 ZINC001076960671 677774042 /nfs/dbraw/zinc/77/40/42/677774042.db2.gz ORKKAYLTDKIEDI-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1ncc[nH]1 ZINC001076971721 677775188 /nfs/dbraw/zinc/77/51/88/677775188.db2.gz QBCHAQKWCNLGCW-GMTAPVOTSA-N 1 1 317.353 -1.036 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001748 677777719 /nfs/dbraw/zinc/77/77/19/677777719.db2.gz JXOPTBZOLSONSL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001748 677777722 /nfs/dbraw/zinc/77/77/22/677777722.db2.gz JXOPTBZOLSONSL-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001076994851 677777794 /nfs/dbraw/zinc/77/77/94/677777794.db2.gz YGINCJFYECUJHS-MVWJERBFSA-N 1 1 323.353 -2.084 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077001991 677778150 /nfs/dbraw/zinc/77/81/50/677778150.db2.gz WVHNXNGNVJKBAW-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077001991 677778153 /nfs/dbraw/zinc/77/81/53/677778153.db2.gz WVHNXNGNVJKBAW-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001077003149 677778207 /nfs/dbraw/zinc/77/82/07/677778207.db2.gz VIDZFBQDBGHMDU-HTQZYQBOSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001077003149 677778209 /nfs/dbraw/zinc/77/82/09/677778209.db2.gz VIDZFBQDBGHMDU-HTQZYQBOSA-N 1 1 308.264 -1.213 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001077002017 677778264 /nfs/dbraw/zinc/77/82/64/677778264.db2.gz XZZFAYTZIAFNJM-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001077002017 677778269 /nfs/dbraw/zinc/77/82/69/677778269.db2.gz XZZFAYTZIAFNJM-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077002708 677778391 /nfs/dbraw/zinc/77/83/91/677778391.db2.gz DJJYNZRHNPDMEY-NXEZZACHSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077002708 677778396 /nfs/dbraw/zinc/77/83/96/677778396.db2.gz DJJYNZRHNPDMEY-NXEZZACHSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077003966 677778997 /nfs/dbraw/zinc/77/89/97/677778997.db2.gz HPPBXXNHPGCQSF-QJPTWQEYSA-N 1 1 310.358 -1.597 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001083559733 677779078 /nfs/dbraw/zinc/77/90/78/677779078.db2.gz ZVUDBVRHHKNBGI-MNOVXSKESA-N 1 1 310.354 -1.456 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077004271 677779108 /nfs/dbraw/zinc/77/91/08/677779108.db2.gz WMDJZNMGCSMUSG-NXEZZACHSA-N 1 1 307.318 -2.874 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077004271 677779110 /nfs/dbraw/zinc/77/91/10/677779110.db2.gz WMDJZNMGCSMUSG-NXEZZACHSA-N 1 1 307.318 -2.874 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034386 677779932 /nfs/dbraw/zinc/77/99/32/677779932.db2.gz WGBYDEUJTPBLOH-OPRDCNLKSA-N 1 1 312.374 -1.416 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034386 677779934 /nfs/dbraw/zinc/77/99/34/677779934.db2.gz WGBYDEUJTPBLOH-OPRDCNLKSA-N 1 1 312.374 -1.416 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)n1 ZINC001077050406 677780004 /nfs/dbraw/zinc/78/00/04/677780004.db2.gz LGENQRVTAAQVLP-NXEZZACHSA-N 1 1 312.374 -1.876 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC001077050406 677780008 /nfs/dbraw/zinc/78/00/08/677780008.db2.gz LGENQRVTAAQVLP-NXEZZACHSA-N 1 1 312.374 -1.876 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034385 677780125 /nfs/dbraw/zinc/78/01/25/677780125.db2.gz WGBYDEUJTPBLOH-IVZWLZJFSA-N 1 1 312.374 -1.416 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034385 677780130 /nfs/dbraw/zinc/78/01/30/677780130.db2.gz WGBYDEUJTPBLOH-IVZWLZJFSA-N 1 1 312.374 -1.416 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077023634 677780197 /nfs/dbraw/zinc/78/01/97/677780197.db2.gz LEWFDTZMBVSUCC-FDYHWXHSSA-N 1 1 312.414 -1.424 20 0 DAADMO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077046250 677780364 /nfs/dbraw/zinc/78/03/64/677780364.db2.gz IWTWDVZCBGLLBA-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034147 677780466 /nfs/dbraw/zinc/78/04/66/677780466.db2.gz KIXSONXNDYMBDO-NXEZZACHSA-N 1 1 312.374 -1.151 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034147 677780471 /nfs/dbraw/zinc/78/04/71/677780471.db2.gz KIXSONXNDYMBDO-NXEZZACHSA-N 1 1 312.374 -1.151 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)CC[N@H+]1C ZINC001077023630 677780507 /nfs/dbraw/zinc/78/05/07/677780507.db2.gz LBXYXIKVZNNKCG-DDHJBXDOSA-N 1 1 323.401 -1.788 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056374 677780778 /nfs/dbraw/zinc/78/07/78/677780778.db2.gz SRULHUUPLUOPEM-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056374 677780781 /nfs/dbraw/zinc/78/07/81/677780781.db2.gz SRULHUUPLUOPEM-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054467 677780921 /nfs/dbraw/zinc/78/09/21/677780921.db2.gz ROEXQULEHALTAK-MVWJERBFSA-N 1 1 318.395 -1.771 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054467 677780925 /nfs/dbraw/zinc/78/09/25/677780925.db2.gz ROEXQULEHALTAK-MVWJERBFSA-N 1 1 318.395 -1.771 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077063242 677780945 /nfs/dbraw/zinc/78/09/45/677780945.db2.gz DSNZPQFEVFIGBK-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077063242 677780949 /nfs/dbraw/zinc/78/09/49/677780949.db2.gz DSNZPQFEVFIGBK-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054468 677781006 /nfs/dbraw/zinc/78/10/06/677781006.db2.gz ROEXQULEHALTAK-YUSALJHKSA-N 1 1 318.395 -1.771 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054468 677781008 /nfs/dbraw/zinc/78/10/08/677781008.db2.gz ROEXQULEHALTAK-YUSALJHKSA-N 1 1 318.395 -1.771 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1=O ZINC001077084271 677781997 /nfs/dbraw/zinc/78/19/97/677781997.db2.gz OMDPEHDJKXZHFS-YNEHKIRRSA-N 1 1 321.381 -1.477 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CC1=O ZINC001077084271 677782000 /nfs/dbraw/zinc/78/20/00/677782000.db2.gz OMDPEHDJKXZHFS-YNEHKIRRSA-N 1 1 321.381 -1.477 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077065773 677782024 /nfs/dbraw/zinc/78/20/24/677782024.db2.gz UXPQKDHFNBZDAR-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077065773 677782026 /nfs/dbraw/zinc/78/20/26/677782026.db2.gz UXPQKDHFNBZDAR-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077065772 677782154 /nfs/dbraw/zinc/78/21/54/677782154.db2.gz UXPQKDHFNBZDAR-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)C1=O ZINC001077065772 677782156 /nfs/dbraw/zinc/78/21/56/677782156.db2.gz UXPQKDHFNBZDAR-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO Cn1cnc2[nH]c(=O)cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC001077117235 677783660 /nfs/dbraw/zinc/78/36/60/677783660.db2.gz SLTXQRZRZKTEFF-NXEZZACHSA-N 1 1 321.337 -1.559 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001077119248 677784603 /nfs/dbraw/zinc/78/46/03/677784603.db2.gz GQGUVWUOYGWZIY-CKYFFXLPSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077126452 677785189 /nfs/dbraw/zinc/78/51/89/677785189.db2.gz AAFRUBZSNPGFSS-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077126452 677785191 /nfs/dbraw/zinc/78/51/91/677785191.db2.gz AAFRUBZSNPGFSS-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077156623 677786454 /nfs/dbraw/zinc/78/64/54/677786454.db2.gz IAOOKARTKNLNTE-HBNTYKKESA-N 1 1 310.354 -1.288 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cnc2nccnc2c1 ZINC001077147579 677788071 /nfs/dbraw/zinc/78/80/71/677788071.db2.gz VQPKUKCWAAQYHN-VXGBXAGGSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2nccnc2c1 ZINC001077147579 677788073 /nfs/dbraw/zinc/78/80/73/677788073.db2.gz VQPKUKCWAAQYHN-VXGBXAGGSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc2c(cn1)OCCO2 ZINC001077151975 677788083 /nfs/dbraw/zinc/78/80/83/677788083.db2.gz RQKITPGPUNVEFZ-GHMZBOCLSA-N 1 1 309.322 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c(cn1)OCCO2 ZINC001077151975 677788086 /nfs/dbraw/zinc/78/80/86/677788086.db2.gz RQKITPGPUNVEFZ-GHMZBOCLSA-N 1 1 309.322 -1.380 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)cc1=O ZINC001077163314 677788578 /nfs/dbraw/zinc/78/85/78/677788578.db2.gz LHULSZXYWDOAJX-RAIGVLPGSA-N 1 1 322.365 -1.408 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)cc1=O ZINC001077163313 677788793 /nfs/dbraw/zinc/78/87/93/677788793.db2.gz LHULSZXYWDOAJX-CYZMBNFOSA-N 1 1 322.365 -1.408 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077178566 677789262 /nfs/dbraw/zinc/78/92/62/677789262.db2.gz PXZQWTHOHRBUAF-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077178566 677789265 /nfs/dbraw/zinc/78/92/65/677789265.db2.gz PXZQWTHOHRBUAF-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077184089 677789935 /nfs/dbraw/zinc/78/99/35/677789935.db2.gz OLVPMSFVTQEPAC-MVWJERBFSA-N 1 1 308.338 -1.006 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)cn1C ZINC001077182076 677790541 /nfs/dbraw/zinc/79/05/41/677790541.db2.gz YLOHXTCBTCFKBX-MPKXVKKWSA-N 1 1 309.366 -1.151 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cn1C ZINC001077182076 677790542 /nfs/dbraw/zinc/79/05/42/677790542.db2.gz YLOHXTCBTCFKBX-MPKXVKKWSA-N 1 1 309.366 -1.151 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077197872 677790600 /nfs/dbraw/zinc/79/06/00/677790600.db2.gz KOQAIHXAXBFLCV-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@H]3O)nn2c1 ZINC001077200305 677790962 /nfs/dbraw/zinc/79/09/62/677790962.db2.gz JDEAKLASWFRWKK-GMTAPVOTSA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3O)nn2c1 ZINC001077200305 677790965 /nfs/dbraw/zinc/79/09/65/677790965.db2.gz JDEAKLASWFRWKK-GMTAPVOTSA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nn2c1 ZINC001077200377 677791824 /nfs/dbraw/zinc/79/18/24/677791824.db2.gz NYGHBWUWGRSBDN-NXEZZACHSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nn2c1 ZINC001077200377 677791828 /nfs/dbraw/zinc/79/18/28/677791828.db2.gz NYGHBWUWGRSBDN-NXEZZACHSA-N 1 1 306.326 -1.800 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001077231282 677792215 /nfs/dbraw/zinc/79/22/15/677792215.db2.gz JLKMKWVPMMMVJA-CHWSQXEVSA-N 1 1 322.365 -1.733 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001077231164 677792227 /nfs/dbraw/zinc/79/22/27/677792227.db2.gz DAJWPCKIIOYAKO-ZWKOPEQDSA-N 1 1 322.365 -1.735 20 0 DAADMO Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083568598 677792414 /nfs/dbraw/zinc/79/24/14/677792414.db2.gz GTLQBVHHFVOFJS-UPJWGTAASA-N 1 1 308.382 -1.092 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077237719 677792509 /nfs/dbraw/zinc/79/25/09/677792509.db2.gz QJUUWBNHOZTPMQ-MGPQQGTHSA-N 1 1 324.425 -1.089 20 0 DAADMO Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083568599 677792563 /nfs/dbraw/zinc/79/25/63/677792563.db2.gz GTLQBVHHFVOFJS-XQQFMLRXSA-N 1 1 308.382 -1.092 20 0 DAADMO Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077228933 677792598 /nfs/dbraw/zinc/79/25/98/677792598.db2.gz GTLQBVHHFVOFJS-JHJVBQTASA-N 1 1 308.382 -1.092 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001077236116 677792850 /nfs/dbraw/zinc/79/28/50/677792850.db2.gz DXZYHBDRGUEBFU-MGPQQGTHSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001077246397 677793032 /nfs/dbraw/zinc/79/30/32/677793032.db2.gz YKQFWIQWZFNRIX-OASPWFOLSA-N 1 1 307.350 -1.059 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001083569119 677793089 /nfs/dbraw/zinc/79/30/89/677793089.db2.gz DAJWPCKIIOYAKO-WQAKAFBOSA-N 1 1 322.365 -1.735 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1=O ZINC001077260607 677794398 /nfs/dbraw/zinc/79/43/98/677794398.db2.gz NKCGLMZTGTZFIW-CHWSQXEVSA-N 1 1 310.398 -1.668 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)CC1=O ZINC001077260386 677794459 /nfs/dbraw/zinc/79/44/59/677794459.db2.gz FBUBFTNJOKBVBT-VXGBXAGGSA-N 1 1 316.377 -1.719 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCn2ccnc2C1 ZINC001077259336 677794591 /nfs/dbraw/zinc/79/45/91/677794591.db2.gz OAPWZNUECQYOMM-YNEHKIRRSA-N 1 1 308.382 -1.011 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001077260567 677794899 /nfs/dbraw/zinc/79/48/99/677794899.db2.gz MBMKEVUZTSCSKD-GHMZBOCLSA-N 1 1 300.359 -3.086 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)no1 ZINC001077275016 677795202 /nfs/dbraw/zinc/79/52/02/677795202.db2.gz NQHHBXCVLBWXCP-CHWSQXEVSA-N 1 1 312.370 -1.107 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)no1 ZINC001077275016 677795204 /nfs/dbraw/zinc/79/52/04/677795204.db2.gz NQHHBXCVLBWXCP-CHWSQXEVSA-N 1 1 312.370 -1.107 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279499 677795344 /nfs/dbraw/zinc/79/53/44/677795344.db2.gz MFKKGUDERAYKQO-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001077279499 677795347 /nfs/dbraw/zinc/79/53/47/677795347.db2.gz MFKKGUDERAYKQO-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001077268280 677795368 /nfs/dbraw/zinc/79/53/68/677795368.db2.gz VPECTKVRQAZYLK-NXEZZACHSA-N 1 1 307.310 -1.569 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001077268280 677795370 /nfs/dbraw/zinc/79/53/70/677795370.db2.gz VPECTKVRQAZYLK-NXEZZACHSA-N 1 1 307.310 -1.569 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077265407 677795373 /nfs/dbraw/zinc/79/53/73/677795373.db2.gz QWHIRFUZSGLGAU-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077265452 677795378 /nfs/dbraw/zinc/79/53/78/677795378.db2.gz SSYMJGPMQJFGOS-JHJVBQTASA-N 1 1 301.387 -1.749 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)no1 ZINC001077274865 677795397 /nfs/dbraw/zinc/79/53/97/677795397.db2.gz HDWBWHSEWNSUTE-GHMZBOCLSA-N 1 1 311.342 -2.004 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1sccc1-n1cnnn1 ZINC001077298674 677797944 /nfs/dbraw/zinc/79/79/44/677797944.db2.gz CNVXWTFTXVULFP-PSASIEDQSA-N 1 1 324.366 -1.509 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1sccc1-n1cnnn1 ZINC001077298674 677797945 /nfs/dbraw/zinc/79/79/45/677797945.db2.gz CNVXWTFTXVULFP-PSASIEDQSA-N 1 1 324.366 -1.509 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001077299374 677798280 /nfs/dbraw/zinc/79/82/80/677798280.db2.gz YMNWTLKBURTHOU-CKYFFXLPSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001077303140 677798951 /nfs/dbraw/zinc/79/89/51/677798951.db2.gz QBVCHLMHQTXMIR-XXILOJSOSA-N 1 1 320.349 -1.268 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321640 677799305 /nfs/dbraw/zinc/79/93/05/677799305.db2.gz FXHZESOBAUZPJQ-OPRDCNLKSA-N 1 1 312.326 -2.509 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077321590 677799371 /nfs/dbraw/zinc/79/93/71/677799371.db2.gz CIOFSZNDVCHRBL-VXGBXAGGSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001077322014 677799589 /nfs/dbraw/zinc/79/95/89/677799589.db2.gz YFNVFRHPQBHVGL-GHMZBOCLSA-N 1 1 308.338 -1.480 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315592 677799627 /nfs/dbraw/zinc/79/96/27/677799627.db2.gz UPDPHRGEKGTQKU-UFGOTCBOSA-N 1 1 324.381 -1.066 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573753 677801546 /nfs/dbraw/zinc/80/15/46/677801546.db2.gz TYHLNHFBKUKZEF-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2nccn2c1 ZINC001077383809 677801824 /nfs/dbraw/zinc/80/18/24/677801824.db2.gz WIAVTAUZCOBFEB-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)n1 ZINC001077361979 677801839 /nfs/dbraw/zinc/80/18/39/677801839.db2.gz CAYMITMLUOBOFR-CYZMBNFOSA-N 1 1 312.370 -1.315 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077378491 677801994 /nfs/dbraw/zinc/80/19/94/677801994.db2.gz UIRCXOLPFTXSAD-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001077389012 677802396 /nfs/dbraw/zinc/80/23/96/677802396.db2.gz FJZFMWGBNZGIPQ-ZYHUDNBSSA-N 1 1 311.338 -1.195 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001077389012 677802399 /nfs/dbraw/zinc/80/23/99/677802399.db2.gz FJZFMWGBNZGIPQ-ZYHUDNBSSA-N 1 1 311.338 -1.195 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001077384409 677802556 /nfs/dbraw/zinc/80/25/56/677802556.db2.gz WSGVBBOZFUMHIA-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001077384409 677802561 /nfs/dbraw/zinc/80/25/61/677802561.db2.gz WSGVBBOZFUMHIA-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392464 677803379 /nfs/dbraw/zinc/80/33/79/677803379.db2.gz CMHSFXWZSVDQEC-YNEHKIRRSA-N 1 1 323.397 -1.170 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cnc21 ZINC001077407522 677803662 /nfs/dbraw/zinc/80/36/62/677803662.db2.gz ZANCARNSBJZLJU-GHMZBOCLSA-N 1 1 306.326 -1.870 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC001077407522 677803666 /nfs/dbraw/zinc/80/36/66/677803666.db2.gz ZANCARNSBJZLJU-GHMZBOCLSA-N 1 1 306.326 -1.870 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCc2nncn2CC1 ZINC001077412268 677803691 /nfs/dbraw/zinc/80/36/91/677803691.db2.gz SRVKCRXNGOFYRC-IJLUTSLNSA-N 1 1 309.370 -1.616 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@H]3O)cnc21 ZINC001077407412 677803923 /nfs/dbraw/zinc/80/39/23/677803923.db2.gz UDXRIINOOLCICN-VXGBXAGGSA-N 1 1 320.353 -1.479 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 ZINC001077407465 677804024 /nfs/dbraw/zinc/80/40/24/677804024.db2.gz WSRJEVJNDAFPIL-XXILOJSOSA-N 1 1 320.353 -1.481 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1)OC ZINC001077413200 677804500 /nfs/dbraw/zinc/80/45/00/677804500.db2.gz KKXKKEYFFNBGQJ-NQBHXWOUSA-N 1 1 324.381 -1.020 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)ncc1=O ZINC001077413336 677804530 /nfs/dbraw/zinc/80/45/30/677804530.db2.gz RVXWNNGIGYQABD-NQBHXWOUSA-N 1 1 322.365 -1.408 20 0 DAADMO O=C(N[C@@H]1CN(CCF)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077418127 677804652 /nfs/dbraw/zinc/80/46/52/677804652.db2.gz JPZBAGVGOAJUFQ-YGFYLSKRSA-N 1 1 313.373 -1.020 20 0 DAADMO COc1ccc2ncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)n2n1 ZINC001083581304 677805268 /nfs/dbraw/zinc/80/52/68/677805268.db2.gz RAXXXWODMYWHSY-KOLCDFICSA-N 1 1 321.337 -1.495 20 0 DAADMO COc1ccc2ncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC001083581304 677805269 /nfs/dbraw/zinc/80/52/69/677805269.db2.gz RAXXXWODMYWHSY-KOLCDFICSA-N 1 1 321.337 -1.495 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCn2ccnc2C1 ZINC001083582993 677805438 /nfs/dbraw/zinc/80/54/38/677805438.db2.gz OAPWZNUECQYOMM-XQQFMLRXSA-N 1 1 308.382 -1.011 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585791 677806118 /nfs/dbraw/zinc/80/61/18/677806118.db2.gz NUHSHQGHFCLMDG-AXFHLTTASA-N 1 1 315.349 -1.509 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585791 677806121 /nfs/dbraw/zinc/80/61/21/677806121.db2.gz NUHSHQGHFCLMDG-AXFHLTTASA-N 1 1 315.349 -1.509 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001083587434 677806336 /nfs/dbraw/zinc/80/63/36/677806336.db2.gz VPECTKVRQAZYLK-ZJUUUORDSA-N 1 1 307.310 -1.569 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001083587434 677806338 /nfs/dbraw/zinc/80/63/38/677806338.db2.gz VPECTKVRQAZYLK-ZJUUUORDSA-N 1 1 307.310 -1.569 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585795 677806390 /nfs/dbraw/zinc/80/63/90/677806390.db2.gz NWTYGGHOHOWATF-MXWKQRLJSA-N 1 1 313.358 -2.222 20 0 DAADMO Cc1nnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cn12 ZINC001083590727 677807021 /nfs/dbraw/zinc/80/70/21/677807021.db2.gz SJABRNQOKCHGOQ-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cn12 ZINC001083590727 677807034 /nfs/dbraw/zinc/80/70/34/677807034.db2.gz SJABRNQOKCHGOQ-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO NC(=O)C1(O)CN(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905979348 677807574 /nfs/dbraw/zinc/80/75/74/677807574.db2.gz VLWFZIVIOCQUFO-AWEZNQCLSA-N 1 1 305.378 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001040401850 677808712 /nfs/dbraw/zinc/80/87/12/677808712.db2.gz GCFPTEAFQPMWRN-ZETOZRRWSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001040401850 677808717 /nfs/dbraw/zinc/80/87/17/677808717.db2.gz GCFPTEAFQPMWRN-ZETOZRRWSA-N 1 1 308.382 -1.092 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083601518 677810088 /nfs/dbraw/zinc/81/00/88/677810088.db2.gz ZOEQPFNKDXIHHD-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083601298 677810152 /nfs/dbraw/zinc/81/01/52/677810152.db2.gz OOCNQIKLHXNPNC-MNOVXSKESA-N 1 1 300.359 -2.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607932 677810801 /nfs/dbraw/zinc/81/08/01/677810801.db2.gz VVZVJWSUBLTSTN-UISBYWKRSA-N 1 1 310.354 -1.720 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607905 677810818 /nfs/dbraw/zinc/81/08/18/677810818.db2.gz UPDPHRGEKGTQKU-XWIASGKRSA-N 1 1 324.381 -1.066 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607904 677810860 /nfs/dbraw/zinc/81/08/60/677810860.db2.gz UPDPHRGEKGTQKU-NDMJEZRESA-N 1 1 324.381 -1.066 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083619813 677812420 /nfs/dbraw/zinc/81/24/20/677812420.db2.gz HOZRSUJULJMVNO-TUAOUCFPSA-N 1 1 314.386 -1.679 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001077431925 677813295 /nfs/dbraw/zinc/81/32/95/677813295.db2.gz AQVUGZRDVXUOGW-ODXJTPSBSA-N 1 1 314.382 -1.154 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001077431925 677813297 /nfs/dbraw/zinc/81/32/97/677813297.db2.gz AQVUGZRDVXUOGW-ODXJTPSBSA-N 1 1 314.382 -1.154 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077432480 677813323 /nfs/dbraw/zinc/81/33/23/677813323.db2.gz RRHTWJMTJXEIAH-ODXJTPSBSA-N 1 1 314.382 -1.418 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)CC2 ZINC001077433247 677813485 /nfs/dbraw/zinc/81/34/85/677813485.db2.gz RNFCGEWZGMIYGW-JHJVBQTASA-N 1 1 323.397 -1.307 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001077434802 677813927 /nfs/dbraw/zinc/81/39/27/677813927.db2.gz ZSBKUORSHMYSFL-QJPTWQEYSA-N 1 1 307.354 -1.065 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001077434181 677813946 /nfs/dbraw/zinc/81/39/46/677813946.db2.gz MRFXNRKHFAHUGS-QJPTWQEYSA-N 1 1 323.353 -2.091 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639417 677814301 /nfs/dbraw/zinc/81/43/01/677814301.db2.gz OWTQDMPFDFPVNM-IEBDPFPHSA-N 1 1 306.326 -1.720 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000991278689 677814591 /nfs/dbraw/zinc/81/45/91/677814591.db2.gz IUOXJXWINZVHQZ-UHFFFAOYSA-N 1 1 323.401 -1.377 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001083645010 677815389 /nfs/dbraw/zinc/81/53/89/677815389.db2.gz GMTSZDDDGFICOE-UPJWGTAASA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001083645008 677815628 /nfs/dbraw/zinc/81/56/28/677815628.db2.gz GMPMUPGZVXTGKK-NEPJUHHUSA-N 1 1 306.326 -1.064 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083646369 677815771 /nfs/dbraw/zinc/81/57/71/677815771.db2.gz ZVLQVWDJNWTCHR-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001083644915 677815859 /nfs/dbraw/zinc/81/58/59/677815859.db2.gz BWDYWPKNUXBESI-UPJWGTAASA-N 1 1 321.381 -1.369 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001083645300 677815969 /nfs/dbraw/zinc/81/59/69/677815969.db2.gz UOSDLOBWWMVVHA-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO Cc1cnc2c(cnn2CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001083646740 677816118 /nfs/dbraw/zinc/81/61/18/677816118.db2.gz SLHARSOXNUVMLU-OLZOCXBDSA-N 1 1 319.365 -1.107 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645132 677816152 /nfs/dbraw/zinc/81/61/52/677816152.db2.gz MNKHWOQNFIBWST-TUAOUCFPSA-N 1 1 309.370 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)ncc1=O ZINC001083653548 677817699 /nfs/dbraw/zinc/81/76/99/677817699.db2.gz RVXWNNGIGYQABD-WZRBSPASSA-N 1 1 322.365 -1.408 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)NN2CCS(=O)(=O)CC2)C1 ZINC000913001348 677821146 /nfs/dbraw/zinc/82/11/46/677821146.db2.gz FZNGRCWIMZMFLH-UHFFFAOYSA-N 1 1 304.416 -1.759 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NN2CCS(=O)(=O)CC2)C1 ZINC000913001348 677821149 /nfs/dbraw/zinc/82/11/49/677821149.db2.gz FZNGRCWIMZMFLH-UHFFFAOYSA-N 1 1 304.416 -1.759 20 0 DAADMO CN1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992918 677821207 /nfs/dbraw/zinc/82/12/07/677821207.db2.gz OIPQWUVENOYSGS-TYNCELHUSA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C[C@H](O)C[C@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992918 677821210 /nfs/dbraw/zinc/82/12/10/677821210.db2.gz OIPQWUVENOYSGS-TYNCELHUSA-N 1 1 312.414 -1.103 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CCO1 ZINC000912990345 677821313 /nfs/dbraw/zinc/82/13/13/677821313.db2.gz IHQNHJQDFAZXGX-JTNHKYCSSA-N 1 1 314.386 -1.402 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cc2c(=O)[nH]1 ZINC001077444304 677822992 /nfs/dbraw/zinc/82/29/92/677822992.db2.gz SSSVVMMELVUFDT-ZYHUDNBSSA-N 1 1 321.337 -1.902 20 0 DAADMO Cc1cn2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cc2c(=O)[nH]1 ZINC001077444304 677822995 /nfs/dbraw/zinc/82/29/95/677822995.db2.gz SSSVVMMELVUFDT-ZYHUDNBSSA-N 1 1 321.337 -1.902 20 0 DAADMO C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)N1CCSCC1 ZINC000913182448 677823011 /nfs/dbraw/zinc/82/30/11/677823011.db2.gz HOXUMOAPTAAVQU-AAEUAGOBSA-N 1 1 303.428 -1.109 20 0 DAADMO COCCn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(C)n1 ZINC000913183155 677823055 /nfs/dbraw/zinc/82/30/55/677823055.db2.gz NOXNLMZDVNETHD-CQSZACIVSA-N 1 1 312.370 -1.081 20 0 DAADMO CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182668 677823108 /nfs/dbraw/zinc/82/31/08/677823108.db2.gz BKQKBMYQPFGUGT-YRGRVCCFSA-N 1 1 302.371 -1.105 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913278714 677824035 /nfs/dbraw/zinc/82/40/35/677824035.db2.gz JYKYUSLLSNKYBT-TXEJJXNPSA-N 1 1 304.416 -1.160 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913552675 677825479 /nfs/dbraw/zinc/82/54/79/677825479.db2.gz UBEMMTPNGTXDQH-VIFPVBQESA-N 1 1 300.388 -1.173 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913552675 677825484 /nfs/dbraw/zinc/82/54/84/677825484.db2.gz UBEMMTPNGTXDQH-VIFPVBQESA-N 1 1 300.388 -1.173 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC000991489614 677826160 /nfs/dbraw/zinc/82/61/60/677826160.db2.gz WFHYRFBQXIDGEQ-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001077482231 677831427 /nfs/dbraw/zinc/83/14/27/677831427.db2.gz YOOMTKDYPVWINJ-GHMZBOCLSA-N 1 1 305.338 -1.323 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c1C ZINC001077487948 677831824 /nfs/dbraw/zinc/83/18/24/677831824.db2.gz SXETTWQPNVIQDD-GGZOMVNGSA-N 1 1 324.381 -1.447 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001045988346 677831906 /nfs/dbraw/zinc/83/19/06/677831906.db2.gz NFALRBWYSICCJQ-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001046000240 677832217 /nfs/dbraw/zinc/83/22/17/677832217.db2.gz NZCMQRNVGQYYES-STQMWFEESA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001046000240 677832221 /nfs/dbraw/zinc/83/22/21/677832221.db2.gz NZCMQRNVGQYYES-STQMWFEESA-N 1 1 310.398 -1.131 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077494963 677832701 /nfs/dbraw/zinc/83/27/01/677832701.db2.gz LKYCCHIYNCVANR-NXEZZACHSA-N 1 1 323.357 -2.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077494963 677832705 /nfs/dbraw/zinc/83/27/05/677832705.db2.gz LKYCCHIYNCVANR-NXEZZACHSA-N 1 1 323.357 -2.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077495040 677832952 /nfs/dbraw/zinc/83/29/52/677832952.db2.gz OOYYOTQRTKSQTF-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077495040 677832955 /nfs/dbraw/zinc/83/29/55/677832955.db2.gz OOYYOTQRTKSQTF-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077502694 677833205 /nfs/dbraw/zinc/83/32/05/677833205.db2.gz DSEMHRVAWJNBRJ-MVWJERBFSA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501720 677833270 /nfs/dbraw/zinc/83/32/70/677833270.db2.gz KRLPHKQKTVMEPO-JMJZKYOTSA-N 1 1 306.326 -1.720 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC001077503171 677833316 /nfs/dbraw/zinc/83/33/16/677833316.db2.gz WWSKBQJCBYMSBP-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507865 677833765 /nfs/dbraw/zinc/83/37/65/677833765.db2.gz AEIQRIRFIAACLR-QJPTWQEYSA-N 1 1 316.377 -1.672 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507992 677834478 /nfs/dbraw/zinc/83/44/78/677834478.db2.gz GXHGMUXJLNWWBE-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001077508127 677834624 /nfs/dbraw/zinc/83/46/24/677834624.db2.gz MNQZGAGEHSNJJR-CHWSQXEVSA-N 1 1 310.398 -1.620 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508014 677834816 /nfs/dbraw/zinc/83/48/16/677834816.db2.gz HUNSDYFFVYKFTD-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077513091 677835643 /nfs/dbraw/zinc/83/56/43/677835643.db2.gz YISBJQMZKSRNCK-YNEHKIRRSA-N 1 1 321.381 -1.740 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512638 677835890 /nfs/dbraw/zinc/83/58/90/677835890.db2.gz KOHCQQBVQVWNCO-JHJVBQTASA-N 1 1 311.382 -1.290 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083686997 677836406 /nfs/dbraw/zinc/83/64/06/677836406.db2.gz VYACMFUVVYSHOR-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083686997 677836409 /nfs/dbraw/zinc/83/64/09/677836409.db2.gz VYACMFUVVYSHOR-NEPJUHHUSA-N 1 1 305.342 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn2cccnc12 ZINC001083690959 677836629 /nfs/dbraw/zinc/83/66/29/677836629.db2.gz SAJOFWKIBUGBKU-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083692457 677837105 /nfs/dbraw/zinc/83/71/05/677837105.db2.gz OOYYOTQRTKSQTF-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083692457 677837109 /nfs/dbraw/zinc/83/71/09/677837109.db2.gz OOYYOTQRTKSQTF-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083692268 677837115 /nfs/dbraw/zinc/83/71/15/677837115.db2.gz DSIRCMLBJFXLLB-ZJUUUORDSA-N 1 1 306.330 -1.820 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083692268 677837117 /nfs/dbraw/zinc/83/71/17/677837117.db2.gz DSIRCMLBJFXLLB-ZJUUUORDSA-N 1 1 306.330 -1.820 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H](O)C1 ZINC001083691985 677837123 /nfs/dbraw/zinc/83/71/23/677837123.db2.gz QGCXTHABQRRAIR-GDLCADMTSA-N 1 1 321.377 -1.130 20 0 DAADMO Cn1cnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cnc21 ZINC001083695589 677837488 /nfs/dbraw/zinc/83/74/88/677837488.db2.gz JGBLDMCHJAFJCT-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC001083695589 677837490 /nfs/dbraw/zinc/83/74/90/677837490.db2.gz JGBLDMCHJAFJCT-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001083694575 677837513 /nfs/dbraw/zinc/83/75/13/677837513.db2.gz HBYMLNFCICSAMK-MNOVXSKESA-N 1 1 308.338 -1.329 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)NC1=O ZINC001083696976 677837697 /nfs/dbraw/zinc/83/76/97/677837697.db2.gz ZNFQOLBCDVPZKQ-WOPDTQHZSA-N 1 1 322.369 -1.932 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)NC1=O ZINC001083696976 677837700 /nfs/dbraw/zinc/83/77/00/677837700.db2.gz ZNFQOLBCDVPZKQ-WOPDTQHZSA-N 1 1 322.369 -1.932 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695467 677837761 /nfs/dbraw/zinc/83/77/61/677837761.db2.gz BPLRZFJSAKUGOM-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695013 677837776 /nfs/dbraw/zinc/83/77/76/677837776.db2.gz DSEMHRVAWJNBRJ-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)c1=O ZINC001083694591 677837950 /nfs/dbraw/zinc/83/79/50/677837950.db2.gz HOQIXYIOGKPQCF-ZJUUUORDSA-N 1 1 314.317 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083699244 677838865 /nfs/dbraw/zinc/83/88/65/677838865.db2.gz QARMNATXJKHPMO-AXFHLTTASA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083699244 677838866 /nfs/dbraw/zinc/83/88/66/677838866.db2.gz QARMNATXJKHPMO-AXFHLTTASA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083699172 677838981 /nfs/dbraw/zinc/83/89/81/677838981.db2.gz NNGKZDXXVGABAE-TUAOUCFPSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083699172 677838983 /nfs/dbraw/zinc/83/89/83/677838983.db2.gz NNGKZDXXVGABAE-TUAOUCFPSA-N 1 1 324.381 -2.094 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083704734 677840165 /nfs/dbraw/zinc/84/01/65/677840165.db2.gz CXNRANJTAWDGJF-YFKTTZPYSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083704734 677840167 /nfs/dbraw/zinc/84/01/67/677840167.db2.gz CXNRANJTAWDGJF-YFKTTZPYSA-N 1 1 309.366 -1.047 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CCC1 ZINC001083703646 677840172 /nfs/dbraw/zinc/84/01/72/677840172.db2.gz ADEMGYDQLBUFHT-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)CCC1 ZINC001083703646 677840175 /nfs/dbraw/zinc/84/01/75/677840175.db2.gz ADEMGYDQLBUFHT-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083706102 677840937 /nfs/dbraw/zinc/84/09/37/677840937.db2.gz KXUQCOYOQWPXNC-MXWKQRLJSA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC001083706278 677841516 /nfs/dbraw/zinc/84/15/16/677841516.db2.gz SXIAYSMWKZRBGI-MNOVXSKESA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC001083706278 677841521 /nfs/dbraw/zinc/84/15/21/677841521.db2.gz SXIAYSMWKZRBGI-MNOVXSKESA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083706217 677841784 /nfs/dbraw/zinc/84/17/84/677841784.db2.gz QNROQJWRGQIHSL-UTUOFQBUSA-N 1 1 324.385 -1.198 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040741250 677842103 /nfs/dbraw/zinc/84/21/03/677842103.db2.gz MQPQBHCCFZEFSS-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083707837 677842120 /nfs/dbraw/zinc/84/21/20/677842120.db2.gz XMTOGSVHYSCRNK-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083707837 677842124 /nfs/dbraw/zinc/84/21/24/677842124.db2.gz XMTOGSVHYSCRNK-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077526584 677843756 /nfs/dbraw/zinc/84/37/56/677843756.db2.gz QNROQJWRGQIHSL-IJLUTSLNSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077526476 677843965 /nfs/dbraw/zinc/84/39/65/677843965.db2.gz KXUQCOYOQWPXNC-GMTAPVOTSA-N 1 1 310.358 -1.588 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077526610 677844386 /nfs/dbraw/zinc/84/43/86/677844386.db2.gz RTWIWDLNHSVTFK-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077526610 677844391 /nfs/dbraw/zinc/84/43/91/677844391.db2.gz RTWIWDLNHSVTFK-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1=O ZINC001083711289 677844397 /nfs/dbraw/zinc/84/43/97/677844397.db2.gz CILBYHXZOVJTOA-FDFVQJQPSA-N 1 1 323.393 -1.339 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)C1=O ZINC001083711289 677844399 /nfs/dbraw/zinc/84/43/99/677844399.db2.gz CILBYHXZOVJTOA-FDFVQJQPSA-N 1 1 323.393 -1.339 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040748834 677845144 /nfs/dbraw/zinc/84/51/44/677845144.db2.gz FDAFIVGZPYOZQD-CYBMUJFWSA-N 1 1 309.326 -2.244 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)n1 ZINC001077527994 677845567 /nfs/dbraw/zinc/84/55/67/677845567.db2.gz XBLRITVIAFQNKB-GMTAPVOTSA-N 1 1 310.358 -1.588 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083721323 677846946 /nfs/dbraw/zinc/84/69/46/677846946.db2.gz XMTOGSVHYSCRNK-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083721323 677846948 /nfs/dbraw/zinc/84/69/48/677846948.db2.gz XMTOGSVHYSCRNK-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077534930 677849103 /nfs/dbraw/zinc/84/91/03/677849103.db2.gz PGDVGXQEEDJBAF-ITGHMWBKSA-N 1 1 306.366 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077534930 677849108 /nfs/dbraw/zinc/84/91/08/677849108.db2.gz PGDVGXQEEDJBAF-ITGHMWBKSA-N 1 1 306.366 -1.063 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1=O ZINC001077534884 677849179 /nfs/dbraw/zinc/84/91/79/677849179.db2.gz NAFDVYQAMQQBJA-YNEHKIRRSA-N 1 1 321.381 -1.477 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001046676431 677849522 /nfs/dbraw/zinc/84/95/22/677849522.db2.gz FUWPUIIEILJRRG-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537658 677849945 /nfs/dbraw/zinc/84/99/45/677849945.db2.gz CILBYHXZOVJTOA-LEZGYBIHSA-N 1 1 323.393 -1.339 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1=O ZINC001077537658 677849947 /nfs/dbraw/zinc/84/99/47/677849947.db2.gz CILBYHXZOVJTOA-LEZGYBIHSA-N 1 1 323.393 -1.339 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734495 677851352 /nfs/dbraw/zinc/85/13/52/677851352.db2.gz IFKWZOLXBZLRFX-UHTWSYAYSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083735115 677851744 /nfs/dbraw/zinc/85/17/44/677851744.db2.gz LYTLPZNAXRMEIM-MNOVXSKESA-N 1 1 319.325 -2.164 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083735115 677851746 /nfs/dbraw/zinc/85/17/46/677851746.db2.gz LYTLPZNAXRMEIM-MNOVXSKESA-N 1 1 319.325 -2.164 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](CCCO)C1 ZINC001046845130 677852521 /nfs/dbraw/zinc/85/25/21/677852521.db2.gz VJVHZAUKVJSBNF-PWSUYJOCSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740463 677852625 /nfs/dbraw/zinc/85/26/25/677852625.db2.gz DYVWAPUAHCBMBQ-TUAOUCFPSA-N 1 1 312.370 -1.602 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741427 677853093 /nfs/dbraw/zinc/85/30/93/677853093.db2.gz HZEFWJJLGXKWRD-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741427 677853097 /nfs/dbraw/zinc/85/30/97/677853097.db2.gz HZEFWJJLGXKWRD-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083744225 677854343 /nfs/dbraw/zinc/85/43/43/677854343.db2.gz DCSTYNJCMWRJFM-KGLIPLIRSA-N 1 1 319.361 -1.094 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083744225 677854345 /nfs/dbraw/zinc/85/43/45/677854345.db2.gz DCSTYNJCMWRJFM-KGLIPLIRSA-N 1 1 319.361 -1.094 20 0 DAADMO COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744139 677854547 /nfs/dbraw/zinc/85/45/47/677854547.db2.gz YYJXWODLKAXOLD-OLZOCXBDSA-N 1 1 307.350 -1.020 20 0 DAADMO COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744139 677854549 /nfs/dbraw/zinc/85/45/49/677854549.db2.gz YYJXWODLKAXOLD-OLZOCXBDSA-N 1 1 307.350 -1.020 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCC1(F)F)[C@@H]1CNC(=O)N1 ZINC001046971101 677855768 /nfs/dbraw/zinc/85/57/68/677855768.db2.gz NRKLAMUEBJRJKK-IUCAKERBSA-N 1 1 306.313 -1.267 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001077557054 677857881 /nfs/dbraw/zinc/85/78/81/677857881.db2.gz UAMCVDQSSBDKGO-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1=O ZINC001077557054 677857886 /nfs/dbraw/zinc/85/78/86/677857886.db2.gz UAMCVDQSSBDKGO-JHJVBQTASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077558899 677858453 /nfs/dbraw/zinc/85/84/53/677858453.db2.gz RTWIWDLNHSVTFK-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077558899 677858456 /nfs/dbraw/zinc/85/84/56/677858456.db2.gz RTWIWDLNHSVTFK-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001083767157 677858981 /nfs/dbraw/zinc/85/89/81/677858981.db2.gz PLYUHOCKPBJGBP-BDAKNGLRSA-N 1 1 317.371 -1.760 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@@H](O)C1 ZINC001083767136 677859059 /nfs/dbraw/zinc/85/90/59/677859059.db2.gz OJKWVZWAUAJNND-BDAKNGLRSA-N 1 1 317.371 -1.758 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047333480 677859774 /nfs/dbraw/zinc/85/97/74/677859774.db2.gz GGHVZWKYCILXOV-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077575388 677861180 /nfs/dbraw/zinc/86/11/80/677861180.db2.gz UFHBMBMQGGVCNG-GHMZBOCLSA-N 1 1 311.338 -1.535 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)O1 ZINC001083776063 677861813 /nfs/dbraw/zinc/86/18/13/677861813.db2.gz YGCQLXKXNQMXNI-VPOLOUISSA-N 1 1 303.334 -1.460 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047483229 677861840 /nfs/dbraw/zinc/86/18/40/677861840.db2.gz DCUWLLKORRVPBT-RYUDHWBXSA-N 1 1 316.377 -1.719 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077578666 677862592 /nfs/dbraw/zinc/86/25/92/677862592.db2.gz PKVGSKDTEQPUNS-JMJZKYOTSA-N 1 1 311.338 -1.537 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083780219 677862755 /nfs/dbraw/zinc/86/27/55/677862755.db2.gz OJUGXLZDTYFKAH-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001083778400 677862850 /nfs/dbraw/zinc/86/28/50/677862850.db2.gz LJXKDVCQTBZQAQ-XQQFMLRXSA-N 1 1 312.414 -1.280 20 0 DAADMO Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C2 ZINC001083781290 677863148 /nfs/dbraw/zinc/86/31/48/677863148.db2.gz AZQDBTZUOAJRPH-BNOWGMLFSA-N 1 1 308.382 -1.092 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@@H]2O)C1 ZINC001083781188 677863215 /nfs/dbraw/zinc/86/32/15/677863215.db2.gz XNEGUXLHRIRYJS-UPJWGTAASA-N 1 1 322.413 -1.182 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)C2 ZINC001083780734 677863320 /nfs/dbraw/zinc/86/33/20/677863320.db2.gz IHFPKNAOEXVHGQ-UHTWSYAYSA-N 1 1 321.381 -1.599 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]2O)C1 ZINC001083781237 677863570 /nfs/dbraw/zinc/86/35/70/677863570.db2.gz ZEOPISGVXDIOSI-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047631987 677864815 /nfs/dbraw/zinc/86/48/15/677864815.db2.gz UBTHJPFUDKTNNP-DCAQKATOSA-N 1 1 323.390 -1.459 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047620084 677864895 /nfs/dbraw/zinc/86/48/95/677864895.db2.gz KDEPOLNJCZKDEJ-AVGNSLFASA-N 1 1 309.370 -1.182 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001047631347 677864904 /nfs/dbraw/zinc/86/49/04/677864904.db2.gz NKHZCHNPNZLMFQ-DCAQKATOSA-N 1 1 321.399 -2.172 20 0 DAADMO Cc1ncc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077584769 677864926 /nfs/dbraw/zinc/86/49/26/677864926.db2.gz CXJKMSCWMPPNKO-MRVWCRGKSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)[nH]1 ZINC001083783292 677865051 /nfs/dbraw/zinc/86/50/51/677865051.db2.gz KHOFZVKSDBODNH-BIMULSAOSA-N 1 1 322.365 -1.075 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cn1 ZINC001083783175 677865500 /nfs/dbraw/zinc/86/55/00/677865500.db2.gz DISOTZPGNAILKV-XQHKEYJVSA-N 1 1 321.381 -1.755 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586192 677866045 /nfs/dbraw/zinc/86/60/45/677866045.db2.gz LHQKIWUCZRSGDD-RAIGVLPGSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077598805 677866564 /nfs/dbraw/zinc/86/65/64/677866564.db2.gz DYVWAPUAHCBMBQ-IJLUTSLNSA-N 1 1 312.370 -1.602 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598914 677866600 /nfs/dbraw/zinc/86/66/00/677866600.db2.gz HZEFWJJLGXKWRD-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598914 677866604 /nfs/dbraw/zinc/86/66/04/677866604.db2.gz HZEFWJJLGXKWRD-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599083 677866910 /nfs/dbraw/zinc/86/69/10/677866910.db2.gz NBFZDBWONZKAQE-HBNTYKKESA-N 1 1 308.342 -2.274 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599083 677866912 /nfs/dbraw/zinc/86/69/12/677866912.db2.gz NBFZDBWONZKAQE-HBNTYKKESA-N 1 1 308.342 -2.274 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599479 677867010 /nfs/dbraw/zinc/86/70/10/677867010.db2.gz YHRJHECZWRIEJG-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599479 677867012 /nfs/dbraw/zinc/86/70/12/677867012.db2.gz YHRJHECZWRIEJG-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600540 677867590 /nfs/dbraw/zinc/86/75/90/677867590.db2.gz PIVSCWVMLFNPLZ-OPRDCNLKSA-N 1 1 309.330 -2.879 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077600540 677867592 /nfs/dbraw/zinc/86/75/92/677867592.db2.gz PIVSCWVMLFNPLZ-OPRDCNLKSA-N 1 1 309.330 -2.879 20 0 DAADMO CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077606062 677868120 /nfs/dbraw/zinc/86/81/20/677868120.db2.gz RJXJCKWRGUUSTE-BFHYXJOUSA-N 1 1 321.377 -1.109 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001077606779 677868675 /nfs/dbraw/zinc/86/86/75/677868675.db2.gz DCSTYNJCMWRJFM-ZIAGYGMSSA-N 1 1 319.361 -1.094 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001077606779 677868676 /nfs/dbraw/zinc/86/86/76/677868676.db2.gz DCSTYNJCMWRJFM-ZIAGYGMSSA-N 1 1 319.361 -1.094 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)[nH]c1=O ZINC001077619161 677869631 /nfs/dbraw/zinc/86/96/31/677869631.db2.gz BWSNWQGEAIPPOB-CKYFFXLPSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)=NC1=O ZINC001077619161 677869634 /nfs/dbraw/zinc/86/96/34/677869634.db2.gz BWSNWQGEAIPPOB-CKYFFXLPSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)=NC1=O ZINC001077619161 677869637 /nfs/dbraw/zinc/86/96/37/677869637.db2.gz BWSNWQGEAIPPOB-CKYFFXLPSA-N 1 1 310.354 -1.063 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)O1 ZINC001077668757 677872053 /nfs/dbraw/zinc/87/20/53/677872053.db2.gz PUYRREXXJCBKTM-CHWFTXMASA-N 1 1 301.343 -2.437 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CCNC1=O ZINC001077666737 677872162 /nfs/dbraw/zinc/87/21/62/677872162.db2.gz BPQGDYFWIRFJDK-LALPHHSUSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CCNC1=O ZINC001077666737 677872165 /nfs/dbraw/zinc/87/21/65/677872165.db2.gz BPQGDYFWIRFJDK-LALPHHSUSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cn(C)nn3)C[C@H]2O)C1 ZINC001077678947 677872836 /nfs/dbraw/zinc/87/28/36/677872836.db2.gz CCELVXMNOGTLLM-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001077675409 677872957 /nfs/dbraw/zinc/87/29/57/677872957.db2.gz MUQIVSHCBRVNOH-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnnn3C)C[C@H]2O)C1 ZINC001077679044 677873008 /nfs/dbraw/zinc/87/30/08/677873008.db2.gz FRRDSEWTBMKIJO-QJPTWQEYSA-N 1 1 323.401 -1.787 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001077679301 677873070 /nfs/dbraw/zinc/87/30/70/677873070.db2.gz NMGRYKYCFASFKR-BFHYXJOUSA-N 1 1 322.413 -1.219 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077676673 677873106 /nfs/dbraw/zinc/87/31/06/677873106.db2.gz FGDIRKWXVVYCDU-JHJVBQTASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nnn(C)n3)C[C@H]2O)C1 ZINC001077679278 677873170 /nfs/dbraw/zinc/87/31/70/677873170.db2.gz MOHDIEFXMRPIJC-QJPTWQEYSA-N 1 1 323.401 -1.787 20 0 DAADMO C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077677797 677873240 /nfs/dbraw/zinc/87/32/40/677873240.db2.gz BUIYKFPCCGSHBF-QJPTWQEYSA-N 1 1 312.414 -1.247 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)C2 ZINC001077682751 677873572 /nfs/dbraw/zinc/87/35/72/677873572.db2.gz IHFPKNAOEXVHGQ-CYZMBNFOSA-N 1 1 321.381 -1.599 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077695077 677875037 /nfs/dbraw/zinc/87/50/37/677875037.db2.gz WERDMGAUODGPKZ-JMJZKYOTSA-N 1 1 311.338 -1.049 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1nccn2ccnc12 ZINC001077693567 677875153 /nfs/dbraw/zinc/87/51/53/677875153.db2.gz YSJYAPOKTVEYQE-GHMZBOCLSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2nnnn2CC1 ZINC001077706529 677875750 /nfs/dbraw/zinc/87/57/50/677875750.db2.gz PYDMOZISEJSKDL-IJLUTSLNSA-N 1 1 324.385 -1.831 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001077706236 677875978 /nfs/dbraw/zinc/87/59/78/677875978.db2.gz ANSLQVCITCNCCG-HBNTYKKESA-N 1 1 310.358 -2.221 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ccnnc1 ZINC001077728438 677876771 /nfs/dbraw/zinc/87/67/71/677876771.db2.gz AAVPHSYIKVSCCE-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ccnnc1 ZINC001077728438 677876773 /nfs/dbraw/zinc/87/67/73/677876773.db2.gz AAVPHSYIKVSCCE-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001077743781 677878158 /nfs/dbraw/zinc/87/81/58/677878158.db2.gz OCHLUFZSVKEDCV-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001077743781 677878160 /nfs/dbraw/zinc/87/81/60/677878160.db2.gz OCHLUFZSVKEDCV-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083787341 677878492 /nfs/dbraw/zinc/87/84/92/677878492.db2.gz WERDMGAUODGPKZ-IEBDPFPHSA-N 1 1 311.338 -1.049 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 ZINC001077758917 677879263 /nfs/dbraw/zinc/87/92/63/677879263.db2.gz GDDRKOBEIYGSFW-CHWSQXEVSA-N 1 1 309.366 -1.036 20 0 DAADMO Cc1cnc2c(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cnn2c1 ZINC001077763257 677879397 /nfs/dbraw/zinc/87/93/97/677879397.db2.gz MWCUMPDSOXDINV-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1cnc2c(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnn2c1 ZINC001077763257 677879401 /nfs/dbraw/zinc/87/94/01/677879401.db2.gz MWCUMPDSOXDINV-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077765689 677879572 /nfs/dbraw/zinc/87/95/72/677879572.db2.gz YWZNIJCXICEFQR-GHMZBOCLSA-N 1 1 309.370 -1.347 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1=O ZINC001077772825 677880588 /nfs/dbraw/zinc/88/05/88/677880588.db2.gz LIUPDTYQIPCIQG-HTQZYQBOSA-N 1 1 314.298 -3.439 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)n(C)c1=O ZINC001077772253 677881012 /nfs/dbraw/zinc/88/10/12/677881012.db2.gz TZVCOYFISPYPPQ-NXEZZACHSA-N 1 1 312.326 -3.149 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2cccnn21 ZINC001077790043 677881321 /nfs/dbraw/zinc/88/13/21/677881321.db2.gz VVIGHMRIDWYJJG-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cccnn32)C1 ZINC001077797840 677882156 /nfs/dbraw/zinc/88/21/56/677882156.db2.gz KPNJAAFPGZVROL-HOSYDEDBSA-N 1 1 305.338 -1.115 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)ncc1C(N)=O ZINC001083792341 677883104 /nfs/dbraw/zinc/88/31/04/677883104.db2.gz KERSNJZKDRPTEP-WQAKAFBOSA-N 1 1 322.365 -1.355 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001077826303 677885368 /nfs/dbraw/zinc/88/53/68/677885368.db2.gz CCSKZDKGSDLMAH-FBIMIBRVSA-N 1 1 321.337 -1.409 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679086 677886110 /nfs/dbraw/zinc/88/61/10/677886110.db2.gz PNRNIFZLQUFMBR-NWDGAFQWSA-N 1 1 323.397 -1.132 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679279 677886345 /nfs/dbraw/zinc/88/63/45/677886345.db2.gz NLRPADBCECEHJA-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833726 677887253 /nfs/dbraw/zinc/88/72/53/677887253.db2.gz YHKVRSCPONGONB-FBIMIBRVSA-N 1 1 313.354 -1.765 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077833307 677887312 /nfs/dbraw/zinc/88/73/12/677887312.db2.gz FPUPHUQFJMMZGQ-GHMZBOCLSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001077833307 677887314 /nfs/dbraw/zinc/88/73/14/677887314.db2.gz FPUPHUQFJMMZGQ-GHMZBOCLSA-N 1 1 306.330 -2.118 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833727 677887627 /nfs/dbraw/zinc/88/76/27/677887627.db2.gz YHKVRSCPONGONB-JMJZKYOTSA-N 1 1 313.354 -1.765 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833633 677887665 /nfs/dbraw/zinc/88/76/65/677887665.db2.gz TWFIKDIMWACSAC-JMJZKYOTSA-N 1 1 315.345 -1.051 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999223487 677887995 /nfs/dbraw/zinc/88/79/95/677887995.db2.gz LLVWOMOEHWUMRV-QEWOUOOISA-N 1 1 321.385 -1.082 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)C1CC([NH2+]Cc2cnon2)C1 ZINC000999228586 677888136 /nfs/dbraw/zinc/88/81/36/677888136.db2.gz PCPYKZFIESRICP-UHFFFAOYSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001032663354 677888221 /nfs/dbraw/zinc/88/82/21/677888221.db2.gz INLZHWKNEYADGQ-GUBZILKMSA-N 1 1 324.337 -1.927 20 0 DAADMO CN(C(=O)C(N)=O)C1CC([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC000999326689 677888899 /nfs/dbraw/zinc/88/88/99/677888899.db2.gz NBKJNZQUMBQCMQ-UHFFFAOYSA-N 1 1 309.374 -1.008 20 0 DAADMO O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCO)C1(n2cnnn2)CCOCC1 ZINC001032675650 677888909 /nfs/dbraw/zinc/88/89/09/677888909.db2.gz GLQXTECOERROJE-RYUDHWBXSA-N 1 1 322.369 -1.544 20 0 DAADMO O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCO)C1(n2cnnn2)CCOCC1 ZINC001032675650 677888913 /nfs/dbraw/zinc/88/89/13/677888913.db2.gz GLQXTECOERROJE-RYUDHWBXSA-N 1 1 322.369 -1.544 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000999345471 677890314 /nfs/dbraw/zinc/89/03/14/677890314.db2.gz XUKYRCJOTOJPGO-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999665829 677891078 /nfs/dbraw/zinc/89/10/78/677891078.db2.gz BSAWJLLLGSWFOF-UHFFFAOYSA-N 1 1 321.385 -1.049 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000999890942 677892250 /nfs/dbraw/zinc/89/22/50/677892250.db2.gz ORTBHYGVTCHNBU-WDEREUQCSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999892514 677892318 /nfs/dbraw/zinc/89/23/18/677892318.db2.gz WLTZMXWSDSGMAA-KOLCDFICSA-N 1 1 322.369 -1.492 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000999897051 677892407 /nfs/dbraw/zinc/89/24/07/677892407.db2.gz XFUOLGCRYLMEOW-LLVKDONJSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC000999861567 677892856 /nfs/dbraw/zinc/89/28/56/677892856.db2.gz AASMVZPKSDHLJV-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001077848592 677893140 /nfs/dbraw/zinc/89/31/40/677893140.db2.gz GLSJCVKDLHKAJP-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001077840877 677893237 /nfs/dbraw/zinc/89/32/37/677893237.db2.gz RGKLJNMLMZKHKV-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001077840877 677893241 /nfs/dbraw/zinc/89/32/41/677893241.db2.gz RGKLJNMLMZKHKV-CHWSQXEVSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)N1CCOCC1 ZINC001077843673 677893354 /nfs/dbraw/zinc/89/33/54/677893354.db2.gz CNIWSVGVPLOJJN-VXGBXAGGSA-N 1 1 301.387 -1.749 20 0 DAADMO CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)N1CCOCC1 ZINC001077843673 677893357 /nfs/dbraw/zinc/89/33/57/677893357.db2.gz CNIWSVGVPLOJJN-VXGBXAGGSA-N 1 1 301.387 -1.749 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853047 677893668 /nfs/dbraw/zinc/89/36/68/677893668.db2.gz HPPANNSGMRTCQW-GMTAPVOTSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cnon1 ZINC001077868927 677893689 /nfs/dbraw/zinc/89/36/89/677893689.db2.gz HBHVCFHLZNRDFZ-FBIMIBRVSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cnon1 ZINC001077868927 677893692 /nfs/dbraw/zinc/89/36/92/677893692.db2.gz HBHVCFHLZNRDFZ-FBIMIBRVSA-N 1 1 319.325 -1.377 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867615 677893719 /nfs/dbraw/zinc/89/37/19/677893719.db2.gz WDMVVCMYQYWFQW-IVZWLZJFSA-N 1 1 306.326 -1.720 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867615 677893721 /nfs/dbraw/zinc/89/37/21/677893721.db2.gz WDMVVCMYQYWFQW-IVZWLZJFSA-N 1 1 306.326 -1.720 20 0 DAADMO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)ccn1 ZINC001077865554 677893863 /nfs/dbraw/zinc/89/38/63/677893863.db2.gz ZTVNKUKGYPAHDC-VXGBXAGGSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)ccn1 ZINC001077865554 677893868 /nfs/dbraw/zinc/89/38/68/677893868.db2.gz ZTVNKUKGYPAHDC-VXGBXAGGSA-N 1 1 308.338 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cnon1 ZINC001077868886 677893895 /nfs/dbraw/zinc/89/38/95/677893895.db2.gz DWVJHZCOXBVJJE-MVWJERBFSA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cnon1 ZINC001077870832 677894054 /nfs/dbraw/zinc/89/40/54/677894054.db2.gz PECJDHYSPULIQX-YUSALJHKSA-N 1 1 322.325 -1.898 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cnon1 ZINC001077870832 677894057 /nfs/dbraw/zinc/89/40/57/677894057.db2.gz PECJDHYSPULIQX-YUSALJHKSA-N 1 1 322.325 -1.898 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)ccc1=O ZINC001077856783 677894484 /nfs/dbraw/zinc/89/44/84/677894484.db2.gz KMHSQBDUEUXNIJ-VXGBXAGGSA-N 1 1 310.354 -1.316 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853270 677894579 /nfs/dbraw/zinc/89/45/79/677894579.db2.gz URJZZGMLAIROJR-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853271 677894695 /nfs/dbraw/zinc/89/46/95/677894695.db2.gz URJZZGMLAIROJR-OPRDCNLKSA-N 1 1 314.342 -2.266 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cc1=O ZINC001077872554 677895151 /nfs/dbraw/zinc/89/51/51/677895151.db2.gz XXMHVZNCYCHCDF-VXGBXAGGSA-N 1 1 319.321 -1.257 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cc1=O ZINC001077872554 677895154 /nfs/dbraw/zinc/89/51/54/677895154.db2.gz XXMHVZNCYCHCDF-VXGBXAGGSA-N 1 1 319.321 -1.257 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cc2ncccn2n1 ZINC001077877001 677895655 /nfs/dbraw/zinc/89/56/55/677895655.db2.gz TZWRAMUNNDRLPX-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)n1 ZINC001077896013 677896940 /nfs/dbraw/zinc/89/69/40/677896940.db2.gz JQYCMTPWDQVMMW-CHWSQXEVSA-N 1 1 324.381 -1.596 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001077910460 677898320 /nfs/dbraw/zinc/89/83/20/677898320.db2.gz VVUDMQDQBPOGFS-ZYHUDNBSSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001077910460 677898323 /nfs/dbraw/zinc/89/83/23/677898323.db2.gz VVUDMQDQBPOGFS-ZYHUDNBSSA-N 1 1 320.357 -1.635 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1(N2CCOCC2)CCC1 ZINC001077918013 677898914 /nfs/dbraw/zinc/89/89/14/677898914.db2.gz YCIKFAJEBPZUJG-CHWSQXEVSA-N 1 1 313.398 -1.605 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1(N2CCOCC2)CCC1 ZINC001077918013 677898915 /nfs/dbraw/zinc/89/89/15/677898915.db2.gz YCIKFAJEBPZUJG-CHWSQXEVSA-N 1 1 313.398 -1.605 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077919212 677898934 /nfs/dbraw/zinc/89/89/34/677898934.db2.gz YIKHXTOUMDEEEL-VXGBXAGGSA-N 1 1 321.341 -1.626 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077919212 677898935 /nfs/dbraw/zinc/89/89/35/677898935.db2.gz YIKHXTOUMDEEEL-VXGBXAGGSA-N 1 1 321.341 -1.626 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001077909252 677899273 /nfs/dbraw/zinc/89/92/73/677899273.db2.gz QHRAYTFVKUCHKY-IRUJWGPZSA-N 1 1 309.370 -1.156 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001077947780 677900439 /nfs/dbraw/zinc/90/04/39/677900439.db2.gz WTTIMPZIDVLPNA-GHMZBOCLSA-N 1 1 324.381 -1.112 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077964063 677900693 /nfs/dbraw/zinc/90/06/93/677900693.db2.gz RIEBIJRBSCPOMI-UMVBOHGHSA-N 1 1 313.398 -1.211 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077962875 677900858 /nfs/dbraw/zinc/90/08/58/677900858.db2.gz UVOZHPFXZUAOIW-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077962875 677900863 /nfs/dbraw/zinc/90/08/63/677900863.db2.gz UVOZHPFXZUAOIW-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077976816 677901303 /nfs/dbraw/zinc/90/13/03/677901303.db2.gz WUVBLPLPJCSCHQ-GHMZBOCLSA-N 1 1 322.369 -1.869 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077976816 677901305 /nfs/dbraw/zinc/90/13/05/677901305.db2.gz WUVBLPLPJCSCHQ-GHMZBOCLSA-N 1 1 322.369 -1.869 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077976157 677901453 /nfs/dbraw/zinc/90/14/53/677901453.db2.gz DWBRPQPDFMEYCS-GHMZBOCLSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077976157 677901457 /nfs/dbraw/zinc/90/14/57/677901457.db2.gz DWBRPQPDFMEYCS-GHMZBOCLSA-N 1 1 305.342 -1.595 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976665 677901468 /nfs/dbraw/zinc/90/14/68/677901468.db2.gz PTNXNXWYHCWXOP-VXGBXAGGSA-N 1 1 319.369 -1.515 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c([nH]c1=O)CCOC2 ZINC001077981498 677901826 /nfs/dbraw/zinc/90/18/26/677901826.db2.gz QCNDKFQXRPMKOH-CHWSQXEVSA-N 1 1 323.349 -1.373 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)cn1 ZINC001077976815 677901993 /nfs/dbraw/zinc/90/19/93/677901993.db2.gz WRGWLIQWAUWQHO-VXGBXAGGSA-N 1 1 319.369 -1.515 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1=O ZINC001077994446 677902157 /nfs/dbraw/zinc/90/21/57/677902157.db2.gz JNLTVWJICCOSCI-NXEZZACHSA-N 1 1 316.333 -1.599 20 0 DAADMO Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC001077981416 677902426 /nfs/dbraw/zinc/90/24/26/677902426.db2.gz NBVFIOLKXHXWCO-VXGBXAGGSA-N 1 1 320.353 -1.423 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001078000611 677902968 /nfs/dbraw/zinc/90/29/68/677902968.db2.gz HVNZRCCWAILTEY-NXEZZACHSA-N 1 1 306.326 -1.399 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2n[nH]nc2C1 ZINC001077999516 677903128 /nfs/dbraw/zinc/90/31/28/677903128.db2.gz OAUMGRNYMGIXJC-OASPWFOLSA-N 1 1 309.370 -1.547 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2n[nH]nc2C1 ZINC001077999517 677903216 /nfs/dbraw/zinc/90/32/16/677903216.db2.gz OAUMGRNYMGIXJC-ZWKOPEQDSA-N 1 1 309.370 -1.547 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078005371 677903550 /nfs/dbraw/zinc/90/35/50/677903550.db2.gz BIXMAFKSHNCJCW-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001077999756 677903633 /nfs/dbraw/zinc/90/36/33/677903633.db2.gz YULDGMLAKPTDAY-ZWKOPEQDSA-N 1 1 309.370 -1.283 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005720 677904632 /nfs/dbraw/zinc/90/46/32/677904632.db2.gz HASDXHPDGLXOOH-JHJVBQTASA-N 1 1 322.413 -1.182 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034469 677906458 /nfs/dbraw/zinc/90/64/58/677906458.db2.gz GJNIBFUZWJENLC-QJPTWQEYSA-N 1 1 307.354 -1.677 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034469 677906460 /nfs/dbraw/zinc/90/64/60/677906460.db2.gz GJNIBFUZWJENLC-QJPTWQEYSA-N 1 1 307.354 -1.677 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)cn1 ZINC001078092299 677908944 /nfs/dbraw/zinc/90/89/44/677908944.db2.gz IWHUSDYHPYLBPS-RAIGVLPGSA-N 1 1 312.370 -1.315 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001078092854 677909090 /nfs/dbraw/zinc/90/90/90/677909090.db2.gz VSDFESHYIBKVIS-ONGXEEELSA-N 1 1 322.369 -1.116 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001078104561 677909478 /nfs/dbraw/zinc/90/94/78/677909478.db2.gz LRBHCNFYEHKWPK-JHJVBQTASA-N 1 1 317.361 -1.245 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078104698 677909882 /nfs/dbraw/zinc/90/98/82/677909882.db2.gz RLCXXAACUJAPSF-UPJWGTAASA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078104698 677909885 /nfs/dbraw/zinc/90/98/85/677909885.db2.gz RLCXXAACUJAPSF-UPJWGTAASA-N 1 1 315.370 -1.959 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001078116094 677910215 /nfs/dbraw/zinc/91/02/15/677910215.db2.gz JSMUWNRXFXQXJC-PAPNWUEJSA-N 1 1 324.381 -1.654 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078120463 677911537 /nfs/dbraw/zinc/91/15/37/677911537.db2.gz JWVQLENJVAEBTO-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078120463 677911539 /nfs/dbraw/zinc/91/15/39/677911539.db2.gz JWVQLENJVAEBTO-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001078119723 677911607 /nfs/dbraw/zinc/91/16/07/677911607.db2.gz CYMRNIIOIJLAHM-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC001078119723 677911610 /nfs/dbraw/zinc/91/16/10/677911610.db2.gz CYMRNIIOIJLAHM-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nc2n1 ZINC001078123564 677912701 /nfs/dbraw/zinc/91/27/01/677912701.db2.gz YZHVXGQIBKRYFL-GHMZBOCLSA-N 1 1 320.353 -1.492 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nc2n1 ZINC001078123564 677912702 /nfs/dbraw/zinc/91/27/02/677912702.db2.gz YZHVXGQIBKRYFL-GHMZBOCLSA-N 1 1 320.353 -1.492 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@H]3O)nn21 ZINC001078123395 677912841 /nfs/dbraw/zinc/91/28/41/677912841.db2.gz QOIRTCNOTXXQOL-GMTAPVOTSA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@H]3O)nn21 ZINC001078123395 677912844 /nfs/dbraw/zinc/91/28/44/677912844.db2.gz QOIRTCNOTXXQOL-GMTAPVOTSA-N 1 1 320.353 -1.412 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001078140957 677913196 /nfs/dbraw/zinc/91/31/96/677913196.db2.gz GMDDDECNBWZYSE-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078140024 677913256 /nfs/dbraw/zinc/91/32/56/677913256.db2.gz UFFYLPODGIJQGO-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078140024 677913258 /nfs/dbraw/zinc/91/32/58/677913258.db2.gz UFFYLPODGIJQGO-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001078140936 677913366 /nfs/dbraw/zinc/91/33/66/677913366.db2.gz FLDYHKYSNHNSIV-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001078140936 677913372 /nfs/dbraw/zinc/91/33/72/677913372.db2.gz FLDYHKYSNHNSIV-VXGBXAGGSA-N 1 1 305.342 -1.664 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078150654 677913378 /nfs/dbraw/zinc/91/33/78/677913378.db2.gz KFTZTWBGYPMCQI-NXEZZACHSA-N 1 1 305.338 -1.240 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078150974 677913486 /nfs/dbraw/zinc/91/34/86/677913486.db2.gz ZTDSRUQZZDCSTD-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078150618 677913575 /nfs/dbraw/zinc/91/35/75/677913575.db2.gz HZSAQUHNYWNFLK-IVZWLZJFSA-N 1 1 323.353 -1.615 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078142290 677913977 /nfs/dbraw/zinc/91/39/77/677913977.db2.gz PVXAQYPDQOELBW-GHMZBOCLSA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078142290 677913978 /nfs/dbraw/zinc/91/39/78/677913978.db2.gz PVXAQYPDQOELBW-GHMZBOCLSA-N 1 1 323.357 -2.535 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 ZINC001078146855 677914965 /nfs/dbraw/zinc/91/49/65/677914965.db2.gz DUZGTODNOWNMEY-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO Cc1nonc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175135 677915473 /nfs/dbraw/zinc/91/54/73/677915473.db2.gz XBHZNBCTABHNBI-CYZMBNFOSA-N 1 1 309.370 -1.009 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078169942 677916134 /nfs/dbraw/zinc/91/61/34/677916134.db2.gz NOPKVHXVILCXRJ-SZEHBUNVSA-N 1 1 312.326 -2.358 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)[nH]1 ZINC001078168913 677916537 /nfs/dbraw/zinc/91/65/37/677916537.db2.gz SAQDQKMQBPEVAU-CHWSQXEVSA-N 1 1 324.381 -1.115 20 0 DAADMO CCn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174072 677916778 /nfs/dbraw/zinc/91/67/78/677916778.db2.gz ANHKEOOKJGUACX-IACUBPJLSA-N 1 1 322.413 -1.089 20 0 DAADMO CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001078174319 677916787 /nfs/dbraw/zinc/91/67/87/677916787.db2.gz IDMQVBQMYNCVEF-MRVWCRGKSA-N 1 1 324.425 -1.280 20 0 DAADMO CCn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175113 677916848 /nfs/dbraw/zinc/91/68/48/677916848.db2.gz WONSLUBDGNRHMN-JHJVBQTASA-N 1 1 322.413 -1.089 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193461 677918000 /nfs/dbraw/zinc/91/80/00/677918000.db2.gz RNEYPTSUKJKTDB-HBNTYKKESA-N 1 1 305.400 -1.505 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078174609 677916988 /nfs/dbraw/zinc/91/69/88/677916988.db2.gz QIFORIGQPMDVIE-JHJVBQTASA-N 1 1 310.398 -1.668 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078183311 677917164 /nfs/dbraw/zinc/91/71/64/677917164.db2.gz LHVJSGSQRYURPW-JHJVBQTASA-N 1 1 321.381 -1.369 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174227 677917178 /nfs/dbraw/zinc/91/71/78/677917178.db2.gz FGUOUNBPSQKBKJ-QJPTWQEYSA-N 1 1 308.386 -1.572 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001078183310 677917256 /nfs/dbraw/zinc/91/72/56/677917256.db2.gz LHVJSGSQRYURPW-FRRDWIJNSA-N 1 1 321.381 -1.369 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001078174641 677917367 /nfs/dbraw/zinc/91/73/67/677917367.db2.gz QVESCJNDPCDKCP-HBNTYKKESA-N 1 1 324.385 -2.279 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1O ZINC001078183184 677917438 /nfs/dbraw/zinc/91/74/38/677917438.db2.gz DVGGEWCOMPTOHR-CHWSQXEVSA-N 1 1 321.381 -1.415 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193235 677917674 /nfs/dbraw/zinc/91/76/74/677917674.db2.gz IKQZHILIMFISHA-IVZWLZJFSA-N 1 1 307.372 -2.514 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193055 677917975 /nfs/dbraw/zinc/91/79/75/677917975.db2.gz APODNGQTSKEVAN-HBNTYKKESA-N 1 1 303.384 -1.751 20 0 DAADMO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078198473 677918808 /nfs/dbraw/zinc/91/88/08/677918808.db2.gz PLWGDNWXLPEJLH-FRRDWIJNSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078198473 677918809 /nfs/dbraw/zinc/91/88/09/677918809.db2.gz PLWGDNWXLPEJLH-FRRDWIJNSA-N 1 1 313.398 -1.213 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182026 677918823 /nfs/dbraw/zinc/91/88/23/677918823.db2.gz BISMWQCBIFISIY-MVWJERBFSA-N 1 1 309.370 -1.513 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078199817 677918865 /nfs/dbraw/zinc/91/88/65/677918865.db2.gz XMFVVUDFTFNLAR-MGPQQGTHSA-N 1 1 311.382 -1.195 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001078199826 677918911 /nfs/dbraw/zinc/91/89/11/677918911.db2.gz XUBUAKJUPNXRAU-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194416 677918935 /nfs/dbraw/zinc/91/89/35/677918935.db2.gz JJBLETXUAOTELF-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078209764 677919506 /nfs/dbraw/zinc/91/95/06/677919506.db2.gz LEBWHBZFMSOKES-CHWSQXEVSA-N 1 1 321.381 -1.256 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001078209764 677919507 /nfs/dbraw/zinc/91/95/07/677919507.db2.gz LEBWHBZFMSOKES-CHWSQXEVSA-N 1 1 321.381 -1.256 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001078209099 677919746 /nfs/dbraw/zinc/91/97/46/677919746.db2.gz ACGHHTGFGDDTGY-MXWKQRLJSA-N 1 1 300.359 -2.646 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001078209099 677919750 /nfs/dbraw/zinc/91/97/50/677919750.db2.gz ACGHHTGFGDDTGY-MXWKQRLJSA-N 1 1 300.359 -2.646 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)nn1 ZINC001078229563 677920162 /nfs/dbraw/zinc/92/01/62/677920162.db2.gz OKHYOWYJKLNVML-MWLCHTKSSA-N 1 1 308.342 -2.052 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229688 677920171 /nfs/dbraw/zinc/92/01/71/677920171.db2.gz UFCJEZZIBZZBFC-MWLCHTKSSA-N 1 1 310.358 -1.662 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001078230867 677920479 /nfs/dbraw/zinc/92/04/79/677920479.db2.gz WIZNUFXKTJHKIN-ZYHUDNBSSA-N 1 1 324.385 -1.450 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1 ZINC001078229410 677920592 /nfs/dbraw/zinc/92/05/92/677920592.db2.gz GTRPRIFBNUVHMW-PSASIEDQSA-N 1 1 312.330 -3.079 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078239694 677920895 /nfs/dbraw/zinc/92/08/95/677920895.db2.gz IJRGYCZSRABYAX-HOSYDEDBSA-N 1 1 312.370 -1.466 20 0 DAADMO CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078222814 677920980 /nfs/dbraw/zinc/92/09/80/677920980.db2.gz REYQHHXAJASSJK-FRRDWIJNSA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078222814 677920984 /nfs/dbraw/zinc/92/09/84/677920984.db2.gz REYQHHXAJASSJK-FRRDWIJNSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246350 677921028 /nfs/dbraw/zinc/92/10/28/677921028.db2.gz YIPWFKOMKOLCHH-XXILOJSOSA-N 1 1 308.338 -1.664 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266768 677922817 /nfs/dbraw/zinc/92/28/17/677922817.db2.gz CIYAYZAPZPZDOV-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078266913 677923155 /nfs/dbraw/zinc/92/31/55/677923155.db2.gz KMEXARPIQRAUPX-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001078344672 677924022 /nfs/dbraw/zinc/92/40/22/677924022.db2.gz SZHCNZZEFXAKIV-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001078363084 677924075 /nfs/dbraw/zinc/92/40/75/677924075.db2.gz DTHDMCUMXOUFGM-SECBINFHSA-N 1 1 311.346 -2.207 20 0 DAADMO CO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078349099 677924600 /nfs/dbraw/zinc/92/46/00/677924600.db2.gz FAFAKQZSNVKOOY-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078349097 677924791 /nfs/dbraw/zinc/92/47/91/677924791.db2.gz FAFAKQZSNVKOOY-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457187 677925592 /nfs/dbraw/zinc/92/55/92/677925592.db2.gz QQRNLZMHSGWHRI-SNVBAGLBSA-N 1 1 310.358 -1.510 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1)c1nncn1C ZINC001078458196 677925630 /nfs/dbraw/zinc/92/56/30/677925630.db2.gz BJOQURVWWWNAGK-ZJUUUORDSA-N 1 1 310.358 -1.432 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457428 677925715 /nfs/dbraw/zinc/92/57/15/677925715.db2.gz WUHLLLJTXQEQIW-LLVKDONJSA-N 1 1 324.385 -1.120 20 0 DAADMO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001078457079 677925794 /nfs/dbraw/zinc/92/57/94/677925794.db2.gz NTRWAXRWWKBUBT-SNVBAGLBSA-N 1 1 323.357 -1.800 20 0 DAADMO NC(=O)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001078456703 677925815 /nfs/dbraw/zinc/92/58/15/677925815.db2.gz FSWDSNFYSJTBRG-SNVBAGLBSA-N 1 1 322.369 -1.126 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1)c1nnnn1C ZINC001078458389 677925845 /nfs/dbraw/zinc/92/58/45/677925845.db2.gz GXQIGRZENKPZBB-BDAKNGLRSA-N 1 1 311.346 -2.037 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)nc1=O ZINC001078456693 677925868 /nfs/dbraw/zinc/92/58/68/677925868.db2.gz FKDBODULYQUPNU-QMMMGPOBSA-N 1 1 312.330 -2.699 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)nn1 ZINC001078458233 677926028 /nfs/dbraw/zinc/92/60/28/677926028.db2.gz CMRQCVYVFZAOFZ-LLVKDONJSA-N 1 1 310.358 -1.510 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487038 677926349 /nfs/dbraw/zinc/92/63/49/677926349.db2.gz AYYLFMBSCBRGQO-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078458855 677926503 /nfs/dbraw/zinc/92/65/03/677926503.db2.gz UIGLVJGYODDRFH-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487430 677927241 /nfs/dbraw/zinc/92/72/41/677927241.db2.gz LLFFZVDESJSNLS-SECBINFHSA-N 1 1 321.345 -1.651 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001078570555 677927637 /nfs/dbraw/zinc/92/76/37/677927637.db2.gz QEXHSKCLKDGWDM-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001078570555 677927640 /nfs/dbraw/zinc/92/76/40/677927640.db2.gz QEXHSKCLKDGWDM-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001043430789 677932352 /nfs/dbraw/zinc/93/23/52/677932352.db2.gz MRLWIAMPGSMSOU-UHFFFAOYSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061453653 677950330 /nfs/dbraw/zinc/95/03/30/677950330.db2.gz WYXFMAFWHLWCDF-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC(N)=O)C1 ZINC001061453641 677950340 /nfs/dbraw/zinc/95/03/40/677950340.db2.gz WRLYJKGNOWFLIV-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061599510 677956852 /nfs/dbraw/zinc/95/68/52/677956852.db2.gz RRLJEORSNQSCIP-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)c1cn[nH]n1 ZINC001061599195 677956904 /nfs/dbraw/zinc/95/69/04/677956904.db2.gz OCJUKCALTPWTGM-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)c1nc[nH]n1 ZINC001061600716 677956922 /nfs/dbraw/zinc/95/69/22/677956922.db2.gz SVKFPSMDYDJFOK-LLVKDONJSA-N 1 1 322.369 -1.142 20 0 DAADMO CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001044790563 677958277 /nfs/dbraw/zinc/95/82/77/677958277.db2.gz WDMGZGNRPJCEIQ-GHMZBOCLSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001044790563 677958286 /nfs/dbraw/zinc/95/82/86/677958286.db2.gz WDMGZGNRPJCEIQ-GHMZBOCLSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061675081 677960430 /nfs/dbraw/zinc/96/04/30/677960430.db2.gz NKNKKXXCWHNIBW-JTQLQIEISA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061711416 677961924 /nfs/dbraw/zinc/96/19/24/677961924.db2.gz JMHMVDHVFMVCDA-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061739511 677962935 /nfs/dbraw/zinc/96/29/35/677962935.db2.gz AZZFEFZTZMRTSK-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061739512 677963056 /nfs/dbraw/zinc/96/30/56/677963056.db2.gz AZZFEFZTZMRTSK-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045505203 677963536 /nfs/dbraw/zinc/96/35/36/677963536.db2.gz XQMZBDYNZLARSX-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1COCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001061840179 677966840 /nfs/dbraw/zinc/96/68/40/677966840.db2.gz KGUGVYULHJNEJK-ABAIWWIYSA-N 1 1 324.381 -1.699 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061839996 677967125 /nfs/dbraw/zinc/96/71/25/677967125.db2.gz IOBDXBQYIAFHFF-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2CNC(=O)C(N)=O)C1 ZINC001061844215 677969392 /nfs/dbraw/zinc/96/93/92/677969392.db2.gz JGQUNAFHMRDYTH-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001061844213 677969429 /nfs/dbraw/zinc/96/94/29/677969429.db2.gz JGQUNAFHMRDYTH-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061898377 677973325 /nfs/dbraw/zinc/97/33/25/677973325.db2.gz IQLLRPZAONABMO-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O ZINC001061908031 677973712 /nfs/dbraw/zinc/97/37/12/677973712.db2.gz RTWWZWSTJRGVBZ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061908374 677974039 /nfs/dbraw/zinc/97/40/39/677974039.db2.gz ZCHKMPQKLIEVEC-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001062499351 677979806 /nfs/dbraw/zinc/97/98/06/677979806.db2.gz FYUMLGQSVZRVTI-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)Cn3cnnn3)CCC2)C1 ZINC001062500227 677979940 /nfs/dbraw/zinc/97/99/40/677979940.db2.gz JFZKDZDAPLPBIW-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)Cn3cnnn3)CCC2)C1 ZINC001062500228 677980048 /nfs/dbraw/zinc/98/00/48/677980048.db2.gz JFZKDZDAPLPBIW-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)CNC(N)=O)CCC1 ZINC001062711962 677981744 /nfs/dbraw/zinc/98/17/44/677981744.db2.gz JYNNGLSPYUCXMR-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCCNS(C)(=O)=O)C1 ZINC000900110516 677983216 /nfs/dbraw/zinc/98/32/16/677983216.db2.gz GGUASYUNPXFLRH-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)Cn3ncnn3)CCC2)C1 ZINC001063101612 677986125 /nfs/dbraw/zinc/98/61/25/677986125.db2.gz WLQGKRDFLYKCND-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)Cn3ncnn3)CCC2)C1 ZINC001063101613 677986149 /nfs/dbraw/zinc/98/61/49/677986149.db2.gz WLQGKRDFLYKCND-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1nnc(C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)n1 ZINC001063102020 677986188 /nfs/dbraw/zinc/98/61/88/677986188.db2.gz ZEVGEFFSZLPOLL-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064997370 678009147 /nfs/dbraw/zinc/00/91/47/678009147.db2.gz APSZZVKGAYOCCB-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064998620 678009920 /nfs/dbraw/zinc/00/99/20/678009920.db2.gz IEIBDCPVIDCEAO-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065172468 678016092 /nfs/dbraw/zinc/01/60/92/678016092.db2.gz ZRGWAKMSVUTMLN-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO CCN(C(=O)CNC(N)=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079284628 678019867 /nfs/dbraw/zinc/01/98/67/678019867.db2.gz ITYOPMCSFUKKHM-JTQLQIEISA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395552 678020828 /nfs/dbraw/zinc/02/08/28/678020828.db2.gz LZKGHHKMIRUSPC-BBBLOLIVSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395552 678020832 /nfs/dbraw/zinc/02/08/32/678020832.db2.gz LZKGHHKMIRUSPC-BBBLOLIVSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395553 678020882 /nfs/dbraw/zinc/02/08/82/678020882.db2.gz LZKGHHKMIRUSPC-OPRDCNLKSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395553 678020883 /nfs/dbraw/zinc/02/08/83/678020883.db2.gz LZKGHHKMIRUSPC-OPRDCNLKSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400852 678021041 /nfs/dbraw/zinc/02/10/41/678021041.db2.gz WJTNSRJDTRIHHM-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400852 678021044 /nfs/dbraw/zinc/02/10/44/678021044.db2.gz WJTNSRJDTRIHHM-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493365 678021332 /nfs/dbraw/zinc/02/13/32/678021332.db2.gz LSTHLVJAEQBJIL-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598510 678022920 /nfs/dbraw/zinc/02/29/20/678022920.db2.gz GASVNTTVCILOGG-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598510 678022922 /nfs/dbraw/zinc/02/29/22/678022922.db2.gz GASVNTTVCILOGG-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526981 678022941 /nfs/dbraw/zinc/02/29/41/678022941.db2.gz YTIHPBUAKBXILS-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526981 678022943 /nfs/dbraw/zinc/02/29/43/678022943.db2.gz YTIHPBUAKBXILS-UTUOFQBUSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589894 678022996 /nfs/dbraw/zinc/02/29/96/678022996.db2.gz QZAUKSXEHIZZNO-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589894 678022997 /nfs/dbraw/zinc/02/29/97/678022997.db2.gz QZAUKSXEHIZZNO-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526924 678023008 /nfs/dbraw/zinc/02/30/08/678023008.db2.gz XBWYCJBAPOFPRX-UPJWGTAASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526924 678023009 /nfs/dbraw/zinc/02/30/09/678023009.db2.gz XBWYCJBAPOFPRX-UPJWGTAASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644422 678023541 /nfs/dbraw/zinc/02/35/41/678023541.db2.gz XMRKXIIXKUKOCM-BBBLOLIVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644422 678023544 /nfs/dbraw/zinc/02/35/44/678023544.db2.gz XMRKXIIXKUKOCM-BBBLOLIVSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079645014 678023668 /nfs/dbraw/zinc/02/36/68/678023668.db2.gz BNGPBRWGYLFNGK-GHMZBOCLSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602533 678023724 /nfs/dbraw/zinc/02/37/24/678023724.db2.gz RDXVEBGDUWQSCD-GHMZBOCLSA-N 1 1 320.357 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602457 678023805 /nfs/dbraw/zinc/02/38/05/678023805.db2.gz ODDZIXVMFLAWNK-MWLCHTKSSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602457 678023809 /nfs/dbraw/zinc/02/38/09/678023809.db2.gz ODDZIXVMFLAWNK-MWLCHTKSSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730880 678025919 /nfs/dbraw/zinc/02/59/19/678025919.db2.gz UEJHSNRVNBQEHC-HRDYMLBCSA-N 1 1 323.357 -2.313 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730880 678025924 /nfs/dbraw/zinc/02/59/24/678025924.db2.gz UEJHSNRVNBQEHC-HRDYMLBCSA-N 1 1 323.357 -2.313 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079731500 678026052 /nfs/dbraw/zinc/02/60/52/678026052.db2.gz DPYRLKHVZCSFQE-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079797923 678026856 /nfs/dbraw/zinc/02/68/56/678026856.db2.gz DPRPAMMSAHZTSK-IJLUTSLNSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079797923 678026861 /nfs/dbraw/zinc/02/68/61/678026861.db2.gz DPRPAMMSAHZTSK-IJLUTSLNSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001079807697 678026888 /nfs/dbraw/zinc/02/68/88/678026888.db2.gz LFQIKUJJVZQVLS-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1=O ZINC001079799792 678027010 /nfs/dbraw/zinc/02/70/10/678027010.db2.gz FTYFHUZYZUDJDP-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001079805259 678027122 /nfs/dbraw/zinc/02/71/22/678027122.db2.gz KVBYBXDFJNIIMK-VXGBXAGGSA-N 1 1 324.381 -1.370 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805469 678027225 /nfs/dbraw/zinc/02/72/25/678027225.db2.gz SDTYSRDUDLWNRJ-NXEZZACHSA-N 1 1 323.353 -2.531 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805469 678027227 /nfs/dbraw/zinc/02/72/27/678027227.db2.gz SDTYSRDUDLWNRJ-NXEZZACHSA-N 1 1 323.353 -2.531 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079808677 678027460 /nfs/dbraw/zinc/02/74/60/678027460.db2.gz BACFILFVFBHFSK-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881864 678028461 /nfs/dbraw/zinc/02/84/61/678028461.db2.gz XUMJYPLKGUSORM-JFGNBEQYSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881864 678028463 /nfs/dbraw/zinc/02/84/63/678028463.db2.gz XUMJYPLKGUSORM-JFGNBEQYSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029416 /nfs/dbraw/zinc/02/94/16/678029416.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079950490 678029419 /nfs/dbraw/zinc/02/94/19/678029419.db2.gz WHPTXDZJJHMYDA-FDYHWXHSSA-N 1 1 312.414 -1.112 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001079981794 678029753 /nfs/dbraw/zinc/02/97/53/678029753.db2.gz BWPYSIYAHYWOJP-PSASIEDQSA-N 1 1 317.367 -1.031 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001079991088 678029805 /nfs/dbraw/zinc/02/98/05/678029805.db2.gz VTHQOZBSEMHHHX-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997473 678029817 /nfs/dbraw/zinc/02/98/17/678029817.db2.gz LVGHDEZFKJRVSU-GMTAPVOTSA-N 1 1 324.385 -1.718 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001079998658 678029994 /nfs/dbraw/zinc/02/99/94/678029994.db2.gz APQXBJNOZHPTDY-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001079998658 678029996 /nfs/dbraw/zinc/02/99/96/678029996.db2.gz APQXBJNOZHPTDY-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001079984721 678030021 /nfs/dbraw/zinc/03/00/21/678030021.db2.gz HUHKLQYYDXMKSL-KXUCPTDWSA-N 1 1 322.369 -1.532 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001079984721 678030023 /nfs/dbraw/zinc/03/00/23/678030023.db2.gz HUHKLQYYDXMKSL-KXUCPTDWSA-N 1 1 322.369 -1.532 20 0 DAADMO CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001080105175 678030972 /nfs/dbraw/zinc/03/09/72/678030972.db2.gz GBXJNROHFLLDNH-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001080075722 678031186 /nfs/dbraw/zinc/03/11/86/678031186.db2.gz JYBJZPWPIMNOPR-GMTAPVOTSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001080075722 678031191 /nfs/dbraw/zinc/03/11/91/678031191.db2.gz JYBJZPWPIMNOPR-GMTAPVOTSA-N 1 1 311.386 -1.301 20 0 DAADMO COCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)ccc1=O ZINC001080084191 678031217 /nfs/dbraw/zinc/03/12/17/678031217.db2.gz RRGJACIVUTWEDX-DGCLKSJQSA-N 1 1 324.381 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080159657 678031695 /nfs/dbraw/zinc/03/16/95/678031695.db2.gz OKDIWIWMDDLDDE-NXEZZACHSA-N 1 1 307.354 -1.424 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080159657 678031698 /nfs/dbraw/zinc/03/16/98/678031698.db2.gz OKDIWIWMDDLDDE-NXEZZACHSA-N 1 1 307.354 -1.424 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080162654 678031800 /nfs/dbraw/zinc/03/18/00/678031800.db2.gz YGHYTGYXTQQLHI-OUAUKWLOSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001080162654 678031802 /nfs/dbraw/zinc/03/18/02/678031802.db2.gz YGHYTGYXTQQLHI-OUAUKWLOSA-N 1 1 321.381 -1.035 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258244 678032742 /nfs/dbraw/zinc/03/27/42/678032742.db2.gz WRKSEPDALDJORO-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277584 678033343 /nfs/dbraw/zinc/03/33/43/678033343.db2.gz WQTNUPMPYJFTPT-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277584 678033345 /nfs/dbraw/zinc/03/33/45/678033345.db2.gz WQTNUPMPYJFTPT-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265265 678033446 /nfs/dbraw/zinc/03/34/46/678033446.db2.gz YICQUCWKBMPUBP-YUSALJHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265265 678033448 /nfs/dbraw/zinc/03/34/48/678033448.db2.gz YICQUCWKBMPUBP-YUSALJHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080359131 678033836 /nfs/dbraw/zinc/03/38/36/678033836.db2.gz AZNSSGYUVUTTNM-OUAUKWLOSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080359131 678033837 /nfs/dbraw/zinc/03/38/37/678033837.db2.gz AZNSSGYUVUTTNM-OUAUKWLOSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360913 678033966 /nfs/dbraw/zinc/03/39/66/678033966.db2.gz NFHYNLDNALFHEI-DVVUODLYSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360913 678033968 /nfs/dbraw/zinc/03/39/68/678033968.db2.gz NFHYNLDNALFHEI-DVVUODLYSA-N 1 1 309.370 -1.617 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080280890 678034076 /nfs/dbraw/zinc/03/40/76/678034076.db2.gz CZSPIRXRXZBHEO-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080280890 678034078 /nfs/dbraw/zinc/03/40/78/678034078.db2.gz CZSPIRXRXZBHEO-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080362846 678034223 /nfs/dbraw/zinc/03/42/23/678034223.db2.gz FLXGNIIIMMYOFF-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001080336634 678034235 /nfs/dbraw/zinc/03/42/35/678034235.db2.gz NDMDCKMJNLJHMG-CKYFFXLPSA-N 1 1 320.397 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001080336634 678034237 /nfs/dbraw/zinc/03/42/37/678034237.db2.gz NDMDCKMJNLJHMG-CKYFFXLPSA-N 1 1 320.397 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC001080370888 678034995 /nfs/dbraw/zinc/03/49/95/678034995.db2.gz NFDJXJRNHMSSSO-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001080369034 678035029 /nfs/dbraw/zinc/03/50/29/678035029.db2.gz HOYVHLJRJNXMDS-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1NC(=O)C(N)=O ZINC001080369034 678035031 /nfs/dbraw/zinc/03/50/31/678035031.db2.gz HOYVHLJRJNXMDS-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001080407190 678036468 /nfs/dbraw/zinc/03/64/68/678036468.db2.gz RJMUPPWWJCLORJ-ZYHUDNBSSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001080452677 678036935 /nfs/dbraw/zinc/03/69/35/678036935.db2.gz YKXRDBOUJHGGRI-WRWGMCAJSA-N 1 1 310.398 -1.107 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001080452677 678036938 /nfs/dbraw/zinc/03/69/38/678036938.db2.gz YKXRDBOUJHGGRI-WRWGMCAJSA-N 1 1 310.398 -1.107 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001080547609 678037250 /nfs/dbraw/zinc/03/72/50/678037250.db2.gz KZDYELXMBQUNTQ-ZYHUDNBSSA-N 1 1 324.381 -1.220 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001080547607 678037492 /nfs/dbraw/zinc/03/74/92/678037492.db2.gz KSAWRDKHYYVTOO-ZYHUDNBSSA-N 1 1 324.381 -1.484 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080581338 678037860 /nfs/dbraw/zinc/03/78/60/678037860.db2.gz JYZOIFPAEYKTID-NXEZZACHSA-N 1 1 309.374 -1.282 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080581338 678037864 /nfs/dbraw/zinc/03/78/64/678037864.db2.gz JYZOIFPAEYKTID-NXEZZACHSA-N 1 1 309.374 -1.282 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080613892 678038249 /nfs/dbraw/zinc/03/82/49/678038249.db2.gz RTJCYOQJYWCKGW-IEBDPFPHSA-N 1 1 324.381 -1.260 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612503 678038438 /nfs/dbraw/zinc/03/84/38/678038438.db2.gz FAZMTRKUWXEGBG-MWLCHTKSSA-N 1 1 324.381 -1.436 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612503 678038440 /nfs/dbraw/zinc/03/84/40/678038440.db2.gz FAZMTRKUWXEGBG-MWLCHTKSSA-N 1 1 324.381 -1.436 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633911 678038991 /nfs/dbraw/zinc/03/89/91/678038991.db2.gz ZVFGCLOPQVAQJG-RKDXNWHRSA-N 1 1 311.342 -2.279 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633911 678038993 /nfs/dbraw/zinc/03/89/93/678038993.db2.gz ZVFGCLOPQVAQJG-RKDXNWHRSA-N 1 1 311.342 -2.279 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001080771514 678041175 /nfs/dbraw/zinc/04/11/75/678041175.db2.gz MPAKPCMQWTWXNR-GMTAPVOTSA-N 1 1 312.370 -1.302 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080811895 678042326 /nfs/dbraw/zinc/04/23/26/678042326.db2.gz CIAJKTLJPKAZQK-GRYCIOLGSA-N 1 1 306.370 -1.007 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)n1 ZINC001080821376 678042339 /nfs/dbraw/zinc/04/23/39/678042339.db2.gz SZYPZRDDEXKMKK-ADEWGFFLSA-N 1 1 321.381 -1.138 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)n1 ZINC001080821376 678042342 /nfs/dbraw/zinc/04/23/42/678042342.db2.gz SZYPZRDDEXKMKK-ADEWGFFLSA-N 1 1 321.381 -1.138 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080902023 678043325 /nfs/dbraw/zinc/04/33/25/678043325.db2.gz BSSSQPCTCVBOJJ-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1cncn1 ZINC001080902024 678043494 /nfs/dbraw/zinc/04/34/94/678043494.db2.gz BSSSQPCTCVBOJJ-UTUOFQBUSA-N 1 1 306.370 -1.055 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001080908079 678043537 /nfs/dbraw/zinc/04/35/37/678043537.db2.gz UNRTVYVXVVKCNJ-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001080930733 678044182 /nfs/dbraw/zinc/04/41/82/678044182.db2.gz KLXVVDWTPTVWIR-MWLCHTKSSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001080933208 678044411 /nfs/dbraw/zinc/04/44/11/678044411.db2.gz MBSBWEKMETXCFO-VXGBXAGGSA-N 1 1 319.427 -1.854 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCS(=O)(=O)CC1 ZINC001080933208 678044413 /nfs/dbraw/zinc/04/44/13/678044413.db2.gz MBSBWEKMETXCFO-VXGBXAGGSA-N 1 1 319.427 -1.854 20 0 DAADMO C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935249 678044427 /nfs/dbraw/zinc/04/44/27/678044427.db2.gz ODOWHGJLWLXAND-IJLUTSLNSA-N 1 1 322.413 -1.003 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080977193 678045690 /nfs/dbraw/zinc/04/56/90/678045690.db2.gz ACAYMHKHCGHOSM-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080961183 678046793 /nfs/dbraw/zinc/04/67/93/678046793.db2.gz YLXVXZKCUDXEDM-OUAUKWLOSA-N 1 1 305.400 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001081064006 678047245 /nfs/dbraw/zinc/04/72/45/678047245.db2.gz WYXHHYSPENMCGB-OPRDCNLKSA-N 1 1 310.354 -1.778 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001081064006 678047247 /nfs/dbraw/zinc/04/72/47/678047247.db2.gz WYXHHYSPENMCGB-OPRDCNLKSA-N 1 1 310.354 -1.778 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001081058532 678047489 /nfs/dbraw/zinc/04/74/89/678047489.db2.gz FZDHZIXTRFKWLV-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001081058532 678047490 /nfs/dbraw/zinc/04/74/90/678047490.db2.gz FZDHZIXTRFKWLV-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001081166505 678051569 /nfs/dbraw/zinc/05/15/69/678051569.db2.gz KDKJOIGXRKZBEE-RYUDHWBXSA-N 1 1 301.387 -1.092 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081368111 678070977 /nfs/dbraw/zinc/07/09/77/678070977.db2.gz KXFIFFRQYIHVLW-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081372134 678072118 /nfs/dbraw/zinc/07/21/18/678072118.db2.gz XLSZUAKDINFKJH-MNOVXSKESA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001081443389 678079493 /nfs/dbraw/zinc/07/94/93/678079493.db2.gz BXHWHCVBVLTGGW-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001081443389 678079495 /nfs/dbraw/zinc/07/94/95/678079495.db2.gz BXHWHCVBVLTGGW-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081501575 678080836 /nfs/dbraw/zinc/08/08/36/678080836.db2.gz BKZHRVJYTUXDAV-NXEZZACHSA-N 1 1 309.326 -2.388 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081501577 678080846 /nfs/dbraw/zinc/08/08/46/678080846.db2.gz BKZHRVJYTUXDAV-VHSXEESVSA-N 1 1 309.326 -2.388 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001081500561 678080915 /nfs/dbraw/zinc/08/09/15/678080915.db2.gz USPKKHICEJUSOB-RYUDHWBXSA-N 1 1 310.354 -1.227 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081554220 678083432 /nfs/dbraw/zinc/08/34/32/678083432.db2.gz SWGGBTLIDQCOKZ-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081554221 678083462 /nfs/dbraw/zinc/08/34/62/678083462.db2.gz SWGGBTLIDQCOKZ-MNOVXSKESA-N 1 1 324.385 -1.306 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCOCC1 ZINC001081557358 678083725 /nfs/dbraw/zinc/08/37/25/678083725.db2.gz BYRPHMLSVNXBHP-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001081561040 678084078 /nfs/dbraw/zinc/08/40/78/678084078.db2.gz WKYYXVPRMZVRBW-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590026 678084153 /nfs/dbraw/zinc/08/41/53/678084153.db2.gz LUAGEFBXIFHYQB-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590024 678084370 /nfs/dbraw/zinc/08/43/70/678084370.db2.gz LUAGEFBXIFHYQB-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081550243 678087841 /nfs/dbraw/zinc/08/78/41/678087841.db2.gz GAKSAAWXNMQDHR-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081549986 678087855 /nfs/dbraw/zinc/08/78/55/678087855.db2.gz DEPXQMDBEPWDFX-WDEREUQCSA-N 1 1 314.386 -1.863 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081549983 678087893 /nfs/dbraw/zinc/08/78/93/678087893.db2.gz DEPXQMDBEPWDFX-GHMZBOCLSA-N 1 1 314.386 -1.863 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081550247 678087926 /nfs/dbraw/zinc/08/79/26/678087926.db2.gz GAKSAAWXNMQDHR-NWDGAFQWSA-N 1 1 301.387 -1.092 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)COC)C[C@@H]1O ZINC001081631708 678088715 /nfs/dbraw/zinc/08/87/15/678088715.db2.gz FCXCORFOEPKPQE-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081634436 678089088 /nfs/dbraw/zinc/08/90/88/678089088.db2.gz HPERJDXPAHKWHC-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081634221 678089253 /nfs/dbraw/zinc/08/92/53/678089253.db2.gz DJFPAIGICLODST-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001081652783 678091890 /nfs/dbraw/zinc/09/18/90/678091890.db2.gz GBOAYLTUVQHUGA-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081652783 678091893 /nfs/dbraw/zinc/09/18/93/678091893.db2.gz GBOAYLTUVQHUGA-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081652783 678091895 /nfs/dbraw/zinc/09/18/95/678091895.db2.gz GBOAYLTUVQHUGA-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081652783 678091896 /nfs/dbraw/zinc/09/18/96/678091896.db2.gz GBOAYLTUVQHUGA-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081652783 678091898 /nfs/dbraw/zinc/09/18/98/678091898.db2.gz GBOAYLTUVQHUGA-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652486 678091907 /nfs/dbraw/zinc/09/19/07/678091907.db2.gz BLWNGXUIMBNZHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652486 678091909 /nfs/dbraw/zinc/09/19/09/678091909.db2.gz BLWNGXUIMBNZHL-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653136 678091953 /nfs/dbraw/zinc/09/19/53/678091953.db2.gz KKBVNEOZMPUJIO-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653136 678091954 /nfs/dbraw/zinc/09/19/54/678091954.db2.gz KKBVNEOZMPUJIO-UWVGGRQHSA-N 1 1 310.358 -1.695 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653137 678091956 /nfs/dbraw/zinc/09/19/56/678091956.db2.gz KKBVNEOZMPUJIO-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653137 678091957 /nfs/dbraw/zinc/09/19/57/678091957.db2.gz KKBVNEOZMPUJIO-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001081653147 678091997 /nfs/dbraw/zinc/09/19/97/678091997.db2.gz KLVFQPNLPRYTCH-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653147 678091999 /nfs/dbraw/zinc/09/19/99/678091999.db2.gz KLVFQPNLPRYTCH-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653147 678092000 /nfs/dbraw/zinc/09/20/00/678092000.db2.gz KLVFQPNLPRYTCH-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653147 678092002 /nfs/dbraw/zinc/09/20/02/678092002.db2.gz KLVFQPNLPRYTCH-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653147 678092003 /nfs/dbraw/zinc/09/20/03/678092003.db2.gz KLVFQPNLPRYTCH-GHMZBOCLSA-N 1 1 324.385 -1.306 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081653462 678092094 /nfs/dbraw/zinc/09/20/94/678092094.db2.gz OIAPDNCRJKSAJM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653462 678092096 /nfs/dbraw/zinc/09/20/96/678092096.db2.gz OIAPDNCRJKSAJM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081653462 678092100 /nfs/dbraw/zinc/09/21/00/678092100.db2.gz OIAPDNCRJKSAJM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653462 678092105 /nfs/dbraw/zinc/09/21/05/678092105.db2.gz OIAPDNCRJKSAJM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081653462 678092106 /nfs/dbraw/zinc/09/21/06/678092106.db2.gz OIAPDNCRJKSAJM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673993 678093351 /nfs/dbraw/zinc/09/33/51/678093351.db2.gz UAKCIDACVYPZJL-QJPTWQEYSA-N 1 1 310.358 -1.475 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081714365 678098560 /nfs/dbraw/zinc/09/85/60/678098560.db2.gz WWPXFHBDCLPTCV-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081715736 678098987 /nfs/dbraw/zinc/09/89/87/678098987.db2.gz IQMNOEFUKYEZEQ-UWVGGRQHSA-N 1 1 300.359 -2.253 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081718821 678100781 /nfs/dbraw/zinc/10/07/81/678100781.db2.gz IWMPUBNGKZCETF-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081721251 678102005 /nfs/dbraw/zinc/10/20/05/678102005.db2.gz ILMUAGXWYCXFCI-NXEZZACHSA-N 1 1 309.326 -2.388 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081721082 678102020 /nfs/dbraw/zinc/10/20/20/678102020.db2.gz GDGXESHXJBIGSG-ZJUUUORDSA-N 1 1 314.386 -1.863 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC001081727383 678102797 /nfs/dbraw/zinc/10/27/97/678102797.db2.gz PHNIDPOHLUZENT-PWSUYJOCSA-N 1 1 309.370 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081773655 678103605 /nfs/dbraw/zinc/10/36/05/678103605.db2.gz DPZUFJAULZOUKN-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@H]1O ZINC001081773326 678103628 /nfs/dbraw/zinc/10/36/28/678103628.db2.gz AHUDXKVJMCQPJJ-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081773656 678103654 /nfs/dbraw/zinc/10/36/54/678103654.db2.gz DPZUFJAULZOUKN-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001081807800 678106516 /nfs/dbraw/zinc/10/65/16/678106516.db2.gz IQFOFBLBWWFHJN-DJLDLDEBSA-N 1 1 300.315 -2.608 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001081807445 678106601 /nfs/dbraw/zinc/10/66/01/678106601.db2.gz OPMMEFRUTGXHTM-HBNTYKKESA-N 1 1 310.354 -1.190 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001081807430 678106750 /nfs/dbraw/zinc/10/67/50/678106750.db2.gz NSBUMAANRXJMPX-IVZWLZJFSA-N 1 1 314.342 -1.954 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081873325 678107090 /nfs/dbraw/zinc/10/70/90/678107090.db2.gz PKSHAANCKSXHHZ-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 ZINC001081873040 678107288 /nfs/dbraw/zinc/10/72/88/678107288.db2.gz DHPWLPQQZBCAEC-GHMZBOCLSA-N 1 1 313.358 -1.956 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081848035 678107729 /nfs/dbraw/zinc/10/77/29/678107729.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 1 1 301.387 -1.487 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081848035 678107730 /nfs/dbraw/zinc/10/77/30/678107730.db2.gz IURGHSMIFNPLAF-FDYHWXHSSA-N 1 1 301.387 -1.487 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001081940241 678108450 /nfs/dbraw/zinc/10/84/50/678108450.db2.gz CASAJQWUBUFDHI-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 ZINC001081959481 678108501 /nfs/dbraw/zinc/10/85/01/678108501.db2.gz KGCVNTPQIWTFKE-ZYHUDNBSSA-N 1 1 310.354 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001082023893 678108788 /nfs/dbraw/zinc/10/87/88/678108788.db2.gz ZFGROTXWCJASEQ-YNEHKIRRSA-N 1 1 321.381 -1.165 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001082018760 678109396 /nfs/dbraw/zinc/10/93/96/678109396.db2.gz SMXBBJCEVCWIMD-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccn2nnnc2c1 ZINC001082018760 678109398 /nfs/dbraw/zinc/10/93/98/678109398.db2.gz SMXBBJCEVCWIMD-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082020868 678109474 /nfs/dbraw/zinc/10/94/74/678109474.db2.gz GUOHPBZKXIXZLL-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccnc2c1nnn2C ZINC001082070569 678110116 /nfs/dbraw/zinc/11/01/16/678110116.db2.gz JRGAXJKLGVGIEW-GHMZBOCLSA-N 1 1 320.353 -1.215 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001082069360 678110168 /nfs/dbraw/zinc/11/01/68/678110168.db2.gz FVKDTFWLHXQXOV-ZKYQVNSYSA-N 1 1 323.397 -1.272 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083840 678110796 /nfs/dbraw/zinc/11/07/96/678110796.db2.gz YEQNILGSNWWXMG-QJPTWQEYSA-N 1 1 322.369 -1.620 20 0 DAADMO CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C(N)=O ZINC001082088109 678110969 /nfs/dbraw/zinc/11/09/69/678110969.db2.gz ZMCJEDWZCRPGAN-NXEZZACHSA-N 1 1 311.342 -1.389 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C(N)=O ZINC001082088109 678110970 /nfs/dbraw/zinc/11/09/70/678110970.db2.gz ZMCJEDWZCRPGAN-NXEZZACHSA-N 1 1 311.342 -1.389 20 0 DAADMO CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C(N)=O ZINC001082086844 678111030 /nfs/dbraw/zinc/11/10/30/678111030.db2.gz TVIUAGPNTQZTSK-GHMZBOCLSA-N 1 1 308.338 -1.814 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)C(N)=O ZINC001082086844 678111033 /nfs/dbraw/zinc/11/10/33/678111033.db2.gz TVIUAGPNTQZTSK-GHMZBOCLSA-N 1 1 308.338 -1.814 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](OC)C1 ZINC001082185340 678112040 /nfs/dbraw/zinc/11/20/40/678112040.db2.gz YTIIBHPATMNHIB-IVZWLZJFSA-N 1 1 314.342 -1.954 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082244731 678113169 /nfs/dbraw/zinc/11/31/69/678113169.db2.gz FVCDPEUABPPDFE-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H](OC)C1 ZINC001082228887 678113225 /nfs/dbraw/zinc/11/32/25/678113225.db2.gz LRQLEZDDRMDRQO-OVAVYLEHSA-N 1 1 310.354 -1.190 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnon1 ZINC001082258509 678113390 /nfs/dbraw/zinc/11/33/90/678113390.db2.gz SGYDIJOUCBISMF-GHMZBOCLSA-N 1 1 307.314 -1.210 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnon1 ZINC001082258509 678113393 /nfs/dbraw/zinc/11/33/93/678113393.db2.gz SGYDIJOUCBISMF-GHMZBOCLSA-N 1 1 307.314 -1.210 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCCN1C(N)=O ZINC001082319744 678114519 /nfs/dbraw/zinc/11/45/19/678114519.db2.gz IHKHRNUHSHIHHY-IJLUTSLNSA-N 1 1 314.386 -1.273 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1nc(C)ccc1=O ZINC001082334312 678114811 /nfs/dbraw/zinc/11/48/11/678114811.db2.gz DWTZELGEQQMBRG-CHWSQXEVSA-N 1 1 324.381 -1.250 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)cn1 ZINC001082348345 678115174 /nfs/dbraw/zinc/11/51/74/678115174.db2.gz WSTDEWCOXULXLN-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)cn1 ZINC001082348345 678115176 /nfs/dbraw/zinc/11/51/76/678115176.db2.gz WSTDEWCOXULXLN-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](OC)C1 ZINC001082325657 678115190 /nfs/dbraw/zinc/11/51/90/678115190.db2.gz VIMFWGYICKTSNH-NXEZZACHSA-N 1 1 306.326 -1.134 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001082358927 678115911 /nfs/dbraw/zinc/11/59/11/678115911.db2.gz YYCVKYFTASJNQG-VXGBXAGGSA-N 1 1 310.354 -1.408 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001082375897 678116082 /nfs/dbraw/zinc/11/60/82/678116082.db2.gz RRYVNZGRNWIHNI-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001082371840 678116154 /nfs/dbraw/zinc/11/61/54/678116154.db2.gz FDJQTILEUQKKGH-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001082374677 678116398 /nfs/dbraw/zinc/11/63/98/678116398.db2.gz MGGISLILGIVDHC-GMTAPVOTSA-N 1 1 323.390 -1.147 20 0 DAADMO CO[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368823 678116415 /nfs/dbraw/zinc/11/64/15/678116415.db2.gz OESQUPPAMUTBEJ-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 ZINC001082386901 678116667 /nfs/dbraw/zinc/11/66/67/678116667.db2.gz BCBCGBXVHSHGMI-ZYHUDNBSSA-N 1 1 312.370 -1.201 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H](OC)C1 ZINC001082385209 678116673 /nfs/dbraw/zinc/11/66/73/678116673.db2.gz FTHWFBPWMGYEIY-ZYHUDNBSSA-N 1 1 324.385 -1.185 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)cn1 ZINC001082394033 678116726 /nfs/dbraw/zinc/11/67/26/678116726.db2.gz QMSUCIAWINCWJP-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001082389587 678116821 /nfs/dbraw/zinc/11/68/21/678116821.db2.gz XDGHREXJGWAJCL-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001082389588 678116934 /nfs/dbraw/zinc/11/69/34/678116934.db2.gz XDGHREXJGWAJCL-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nnnn1C ZINC001082419623 678117117 /nfs/dbraw/zinc/11/71/17/678117117.db2.gz HACKHVZUYIQOII-OPRDCNLKSA-N 1 1 320.361 -1.606 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001082397017 678117269 /nfs/dbraw/zinc/11/72/69/678117269.db2.gz BIHMIWIQHRCDIR-OUAUKWLOSA-N 1 1 300.359 -1.663 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 ZINC001082402419 678117301 /nfs/dbraw/zinc/11/73/01/678117301.db2.gz LIVYQVUAJQCSAQ-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001082401251 678117335 /nfs/dbraw/zinc/11/73/35/678117335.db2.gz HMEJAACYDUCQLX-GMTAPVOTSA-N 1 1 313.354 -1.763 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C)N1CCOCC1 ZINC001082400167 678117391 /nfs/dbraw/zinc/11/73/91/678117391.db2.gz JMRQLOSJUVAFKU-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082496965 678117765 /nfs/dbraw/zinc/11/77/65/678117765.db2.gz RUZWAQBSBMYVFX-OPRDCNLKSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)c1nncn1C ZINC001082514184 678117965 /nfs/dbraw/zinc/11/79/65/678117965.db2.gz OIDXGSFMEDJBJH-GMTAPVOTSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082683693 678118779 /nfs/dbraw/zinc/11/87/79/678118779.db2.gz SQOKLACULTVSNX-ADEWGFFLSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082683740 678118784 /nfs/dbraw/zinc/11/87/84/678118784.db2.gz VJYOHRUSMNROLC-OUAUKWLOSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082724976 678119286 /nfs/dbraw/zinc/11/92/86/678119286.db2.gz BAFBXOVQBPYSGF-RULNRJAQSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1[NH2+]CC(N)=O ZINC001082859032 678119765 /nfs/dbraw/zinc/11/97/65/678119765.db2.gz PNTBPHIKKPIWHP-KBVBSXBZSA-N 1 1 306.370 -1.169 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1[NH2+]CC(N)=O ZINC001082859032 678119766 /nfs/dbraw/zinc/11/97/66/678119766.db2.gz PNTBPHIKKPIWHP-KBVBSXBZSA-N 1 1 306.370 -1.169 20 0 DAADMO C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082738047 678119812 /nfs/dbraw/zinc/11/98/12/678119812.db2.gz ZQYDIOQKKWCKDA-GPCCPHFNSA-N 1 1 321.385 -1.327 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]21 ZINC001082968916 678120035 /nfs/dbraw/zinc/12/00/35/678120035.db2.gz UROHGVAJYPTZKP-MELADBBJSA-N 1 1 324.381 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)cn1 ZINC001082995349 678120425 /nfs/dbraw/zinc/12/04/25/678120425.db2.gz BEZWXECWPDKCSS-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)cn1 ZINC001082995349 678120426 /nfs/dbraw/zinc/12/04/26/678120426.db2.gz BEZWXECWPDKCSS-FRRDWIJNSA-N 1 1 319.365 -1.166 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082995933 678120492 /nfs/dbraw/zinc/12/04/92/678120492.db2.gz DNXYGXZCZSSKMM-SDDRHHMPSA-N 1 1 310.358 -1.380 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083030705 678121624 /nfs/dbraw/zinc/12/16/24/678121624.db2.gz ZMROZLXBZJLQKH-GARJFASQSA-N 1 1 310.354 -1.948 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083030640 678121734 /nfs/dbraw/zinc/12/17/34/678121734.db2.gz WJEHESRKYWNMLB-NWDGAFQWSA-N 1 1 307.354 -1.330 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083048419 678122150 /nfs/dbraw/zinc/12/21/50/678122150.db2.gz UEFZZJDTAURVKW-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083035156 678122215 /nfs/dbraw/zinc/12/22/15/678122215.db2.gz GOXQTUSNWJUXCQ-BFHYXJOUSA-N 1 1 313.398 -1.389 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083076600 678122327 /nfs/dbraw/zinc/12/23/27/678122327.db2.gz UWCDMCJFBHUJQA-OUAUKWLOSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083076600 678122328 /nfs/dbraw/zinc/12/23/28/678122328.db2.gz UWCDMCJFBHUJQA-OUAUKWLOSA-N 1 1 305.338 -1.177 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1 ZINC001083063682 678122536 /nfs/dbraw/zinc/12/25/36/678122536.db2.gz XPPKYYHXMQYKPX-UONOGXRCSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(C)c3N)[C@H]2C1 ZINC001083058079 678122564 /nfs/dbraw/zinc/12/25/64/678122564.db2.gz OPUXNTURFNLNSW-ZMLRMANQSA-N 1 1 309.370 -1.092 20 0 DAADMO CC(C)(O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083066503 678122582 /nfs/dbraw/zinc/12/25/82/678122582.db2.gz FNXNNRCOUCZEAH-GRYCIOLGSA-N 1 1 311.382 -1.053 20 0 DAADMO CC(C)(O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083066503 678122583 /nfs/dbraw/zinc/12/25/83/678122583.db2.gz FNXNNRCOUCZEAH-GRYCIOLGSA-N 1 1 311.382 -1.053 20 0 DAADMO O=C(CCn1ccnn1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083063260 678122819 /nfs/dbraw/zinc/12/28/19/678122819.db2.gz AHXAFPFKFHYSJY-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cc1=O ZINC001083123806 678123037 /nfs/dbraw/zinc/12/30/37/678123037.db2.gz URILUXMJVNLETK-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO Cn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cc1=O ZINC001083123806 678123040 /nfs/dbraw/zinc/12/30/40/678123040.db2.gz URILUXMJVNLETK-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083490 678123123 /nfs/dbraw/zinc/12/31/23/678123123.db2.gz XIXGPKKPTCROPK-SDDRHHMPSA-N 1 1 310.358 -1.380 20 0 DAADMO Cc1nc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c(=O)[nH]c1C ZINC001083117290 678123282 /nfs/dbraw/zinc/12/32/82/678123282.db2.gz JEBIRCPYCMYEIO-NWDGAFQWSA-N 1 1 322.365 -1.096 20 0 DAADMO Cc1nc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c(=O)[nH]c1C ZINC001083117290 678123285 /nfs/dbraw/zinc/12/32/85/678123285.db2.gz JEBIRCPYCMYEIO-NWDGAFQWSA-N 1 1 322.365 -1.096 20 0 DAADMO C[N@@H+](CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21)C1CCC1 ZINC001083106088 678123490 /nfs/dbraw/zinc/12/34/90/678123490.db2.gz JIGVFQJGMNZUDH-QWHCGFSZSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)CC1=O ZINC001083098228 678123525 /nfs/dbraw/zinc/12/35/25/678123525.db2.gz KOBGEBJTJFDVSU-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN1C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1=O ZINC001083099205 678123596 /nfs/dbraw/zinc/12/35/96/678123596.db2.gz YIRQHISBWMQWCQ-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN1C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1=O ZINC001083099205 678123597 /nfs/dbraw/zinc/12/35/97/678123597.db2.gz YIRQHISBWMQWCQ-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1=O ZINC001083099206 678123601 /nfs/dbraw/zinc/12/36/01/678123601.db2.gz YIRQHISBWMQWCQ-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1=O ZINC001083099206 678123603 /nfs/dbraw/zinc/12/36/03/678123603.db2.gz YIRQHISBWMQWCQ-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@H]2C1 ZINC001083087712 678123742 /nfs/dbraw/zinc/12/37/42/678123742.db2.gz ZKIUHQMCLCJEIO-WDEREUQCSA-N 1 1 322.369 -1.301 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)ccc1=O ZINC001083130129 678123931 /nfs/dbraw/zinc/12/39/31/678123931.db2.gz XWPRTMHDJIVQBF-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)ccc1=O ZINC001083130129 678123933 /nfs/dbraw/zinc/12/39/33/678123933.db2.gz XWPRTMHDJIVQBF-QWHCGFSZSA-N 1 1 307.350 -1.097 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083143784 678124330 /nfs/dbraw/zinc/12/43/30/678124330.db2.gz AMAWMWRHIUCUDV-QWHCGFSZSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2CN([C@@H](C)C(N)=O)C[C@@H]21 ZINC001083143880 678124350 /nfs/dbraw/zinc/12/43/50/678124350.db2.gz FPZIARILSPALNX-RWMBFGLXSA-N 1 1 321.381 -1.023 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)cn3)[C@H]2C1 ZINC001083148995 678124447 /nfs/dbraw/zinc/12/44/47/678124447.db2.gz RXFRHVDWKVKGTG-WCFLWFBJSA-N 1 1 322.365 -1.314 20 0 DAADMO O=C(c1ccc2nnnn2c1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083141789 678124572 /nfs/dbraw/zinc/12/45/72/678124572.db2.gz ALZYWJLWVRLXCF-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO O=C(c1ccc2nnnn2c1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083141789 678124576 /nfs/dbraw/zinc/12/45/76/678124576.db2.gz ALZYWJLWVRLXCF-NWDGAFQWSA-N 1 1 318.337 -1.358 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083167218 678124818 /nfs/dbraw/zinc/12/48/18/678124818.db2.gz HHAAQIVEYYPZTR-GARJFASQSA-N 1 1 310.358 -1.230 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083167218 678124820 /nfs/dbraw/zinc/12/48/20/678124820.db2.gz HHAAQIVEYYPZTR-GARJFASQSA-N 1 1 310.358 -1.230 20 0 DAADMO CC(C)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCNC(=O)C3)[C@H]2C1 ZINC001083162084 678124906 /nfs/dbraw/zinc/12/49/06/678124906.db2.gz HMEJFGNQKYZPSK-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083161925 678124976 /nfs/dbraw/zinc/12/49/76/678124976.db2.gz ABGYRVVPRONBEN-NWDGAFQWSA-N 1 1 312.370 -2.678 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083161925 678124979 /nfs/dbraw/zinc/12/49/79/678124979.db2.gz ABGYRVVPRONBEN-NWDGAFQWSA-N 1 1 312.370 -2.678 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083180945 678125791 /nfs/dbraw/zinc/12/57/91/678125791.db2.gz IAWQOLPTHFITLD-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083180945 678125793 /nfs/dbraw/zinc/12/57/93/678125793.db2.gz IAWQOLPTHFITLD-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001083181559 678125846 /nfs/dbraw/zinc/12/58/46/678125846.db2.gz LDNICKLSGVIOIL-OUAUKWLOSA-N 1 1 320.353 -1.838 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001083181559 678125848 /nfs/dbraw/zinc/12/58/48/678125848.db2.gz LDNICKLSGVIOIL-OUAUKWLOSA-N 1 1 320.353 -1.838 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083182468 678125879 /nfs/dbraw/zinc/12/58/79/678125879.db2.gz GIJXIJLNOYRQRM-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083182468 678125881 /nfs/dbraw/zinc/12/58/81/678125881.db2.gz GIJXIJLNOYRQRM-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065369352 678128609 /nfs/dbraw/zinc/12/86/09/678128609.db2.gz CVXORPISFVKRFR-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065409296 678129420 /nfs/dbraw/zinc/12/94/20/678129420.db2.gz KIVHUJOTJPNFJZ-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065550590 678131311 /nfs/dbraw/zinc/13/13/11/678131311.db2.gz LHIQCVFSDPNXSW-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065551939 678132051 /nfs/dbraw/zinc/13/20/51/678132051.db2.gz DALNHUJPAAJLLE-JTQLQIEISA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065552887 678132536 /nfs/dbraw/zinc/13/25/36/678132536.db2.gz PXRMRPTUBASVNR-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065552889 678132693 /nfs/dbraw/zinc/13/26/93/678132693.db2.gz PXRMRPTUBASVNR-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(c2ncccn2)C[C@@H]1O ZINC001065577955 678134146 /nfs/dbraw/zinc/13/41/46/678134146.db2.gz RGWAUXSAXQLSFG-RWMBFGLXSA-N 1 1 321.381 -1.185 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(c2ncccn2)C[C@@H]1O ZINC001065577955 678134148 /nfs/dbraw/zinc/13/41/48/678134148.db2.gz RGWAUXSAXQLSFG-RWMBFGLXSA-N 1 1 321.381 -1.185 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065612129 678134528 /nfs/dbraw/zinc/13/45/28/678134528.db2.gz QNEGCUDJFKOTCO-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065614186 678134701 /nfs/dbraw/zinc/13/47/01/678134701.db2.gz LCAWCYHLZBIZDL-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cnnn1 ZINC001066785980 678142761 /nfs/dbraw/zinc/14/27/61/678142761.db2.gz CJURXUSZAQLINA-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCCO ZINC001072099928 678152438 /nfs/dbraw/zinc/15/24/38/678152438.db2.gz ZLLQDVAGMBFIHW-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001072134241 678152842 /nfs/dbraw/zinc/15/28/42/678152842.db2.gz IKGXUFXQTQGQLH-CYBMUJFWSA-N 1 1 324.381 -1.501 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072160473 678153281 /nfs/dbraw/zinc/15/32/81/678153281.db2.gz DYRQGYZCUDLXOP-NEPJUHHUSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072162042 678153779 /nfs/dbraw/zinc/15/37/79/678153779.db2.gz UPDXOIBUKPFETQ-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072227249 678154003 /nfs/dbraw/zinc/15/40/03/678154003.db2.gz AUXOJOFWGQPKPE-NXEZZACHSA-N 1 1 309.374 -1.340 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072286274 678155397 /nfs/dbraw/zinc/15/53/97/678155397.db2.gz IHSJTDFRIXKUQV-NWDGAFQWSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1ncn[nH]1 ZINC001072432597 678156476 /nfs/dbraw/zinc/15/64/76/678156476.db2.gz KMXRUROFYLLILR-QWRGUYRKSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1nc[nH]n1 ZINC001072432597 678156478 /nfs/dbraw/zinc/15/64/78/678156478.db2.gz KMXRUROFYLLILR-QWRGUYRKSA-N 1 1 324.385 -1.040 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 ZINC001072401730 678156611 /nfs/dbraw/zinc/15/66/11/678156611.db2.gz QVFDZDUKIFXMCX-KOLCDFICSA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072450908 678156770 /nfs/dbraw/zinc/15/67/70/678156770.db2.gz CEDUDSCHSDNMGU-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072451421 678156887 /nfs/dbraw/zinc/15/68/87/678156887.db2.gz MXJIATXMRIWOFB-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072451774 678156915 /nfs/dbraw/zinc/15/69/15/678156915.db2.gz SKYKAIIEDIHHCC-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 ZINC001072478751 678157382 /nfs/dbraw/zinc/15/73/82/678157382.db2.gz MXJQZROSEMNRKL-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C([C@H]1COCCO1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072491724 678157387 /nfs/dbraw/zinc/15/73/87/678157387.db2.gz DUFOFHGRWAQFKN-NWDGAFQWSA-N 1 1 309.366 -1.175 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072578141 678159214 /nfs/dbraw/zinc/15/92/14/678159214.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072578141 678159217 /nfs/dbraw/zinc/15/92/17/678159217.db2.gz HKYKTGBYYORYEF-GFCCVEGCSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072580734 678159317 /nfs/dbraw/zinc/15/93/17/678159317.db2.gz ISIBUORHCLPAQE-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001072612510 678159507 /nfs/dbraw/zinc/15/95/07/678159507.db2.gz GHMDSUDYJKVBSI-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001072612510 678159510 /nfs/dbraw/zinc/15/95/10/678159510.db2.gz GHMDSUDYJKVBSI-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072615682 678159712 /nfs/dbraw/zinc/15/97/12/678159712.db2.gz XRNFGBIHHDYHNR-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072646895 678161477 /nfs/dbraw/zinc/16/14/77/678161477.db2.gz NEHSXXIRMDBLSH-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645933 678161592 /nfs/dbraw/zinc/16/15/92/678161592.db2.gz SZGQPZAZEFWSGK-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072646893 678161626 /nfs/dbraw/zinc/16/16/26/678161626.db2.gz NEHSXXIRMDBLSH-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072642406 678161633 /nfs/dbraw/zinc/16/16/33/678161633.db2.gz XWGPITDERKABEH-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072645518 678161640 /nfs/dbraw/zinc/16/16/40/678161640.db2.gz MGHXGGNSFQUYAS-OLZOCXBDSA-N 1 1 322.409 -1.260 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647925 678162043 /nfs/dbraw/zinc/16/20/43/678162043.db2.gz GUVBJGNZZGSUFZ-JTQLQIEISA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647941 678162049 /nfs/dbraw/zinc/16/20/49/678162049.db2.gz HLRZRPDOXAAUIJ-SECBINFHSA-N 1 1 308.342 -1.608 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCNC2=O)C3)n1 ZINC001072702117 678162287 /nfs/dbraw/zinc/16/22/87/678162287.db2.gz CYSXWECKMPFCFY-JTQLQIEISA-N 1 1 304.354 -1.149 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)n1 ZINC001072702117 678162290 /nfs/dbraw/zinc/16/22/90/678162290.db2.gz CYSXWECKMPFCFY-JTQLQIEISA-N 1 1 304.354 -1.149 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686230 678162402 /nfs/dbraw/zinc/16/24/02/678162402.db2.gz GPUSRXRSJNTJCD-ZJUUUORDSA-N 1 1 310.354 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686005 678162472 /nfs/dbraw/zinc/16/24/72/678162472.db2.gz AIVMSGDIKOEORS-UWVGGRQHSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1nncc1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072687121 678162561 /nfs/dbraw/zinc/16/25/61/678162561.db2.gz JIBYIDHDHSNJCM-SNVBAGLBSA-N 1 1 304.354 -1.149 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4COC(=O)N4)C3)C2)C1=O ZINC001072686674 678162567 /nfs/dbraw/zinc/16/25/67/678162567.db2.gz SOJNQIAHJIFOIY-GHMZBOCLSA-N 1 1 322.365 -1.140 20 0 DAADMO Cn1nncc1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072687120 678162571 /nfs/dbraw/zinc/16/25/71/678162571.db2.gz JIBYIDHDHSNJCM-JTQLQIEISA-N 1 1 304.354 -1.149 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072686812 678162635 /nfs/dbraw/zinc/16/26/35/678162635.db2.gz XLXGCJWIYUVSSN-WDEREUQCSA-N 1 1 322.365 -1.092 20 0 DAADMO O=C(Cn1nccn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072783134 678164295 /nfs/dbraw/zinc/16/42/95/678164295.db2.gz VWRTUTZRCDJZHT-NSHDSACASA-N 1 1 304.354 -1.299 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795541 678164310 /nfs/dbraw/zinc/16/43/10/678164310.db2.gz XIZWDBVKDAQNNU-GHMZBOCLSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795543 678164331 /nfs/dbraw/zinc/16/43/31/678164331.db2.gz XIZWDBVKDAQNNU-QWRGUYRKSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)N1C(=O)CCC1=O ZINC001072799232 678164420 /nfs/dbraw/zinc/16/44/20/678164420.db2.gz GIZPXNZQZSOYGQ-SNVBAGLBSA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)N1C(=O)CCC1=O ZINC001072799232 678164424 /nfs/dbraw/zinc/16/44/24/678164424.db2.gz GIZPXNZQZSOYGQ-SNVBAGLBSA-N 1 1 322.365 -1.457 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795544 678164590 /nfs/dbraw/zinc/16/45/90/678164590.db2.gz XIZWDBVKDAQNNU-WDEREUQCSA-N 1 1 308.382 -1.127 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1=O ZINC001072797489 678164646 /nfs/dbraw/zinc/16/46/46/678164646.db2.gz ZHODMZAHOSCNJY-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1=O ZINC001072797489 678164647 /nfs/dbraw/zinc/16/46/47/678164647.db2.gz ZHODMZAHOSCNJY-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072832938 678164861 /nfs/dbraw/zinc/16/48/61/678164861.db2.gz VGWVDUHOPGKYRE-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072831812 678164886 /nfs/dbraw/zinc/16/48/86/678164886.db2.gz WBYZUDPBEZXOPD-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001072818043 678164928 /nfs/dbraw/zinc/16/49/28/678164928.db2.gz HXUCVDPFJXAKTP-UHFFFAOYSA-N 1 1 305.338 -1.091 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC001072818043 678164930 /nfs/dbraw/zinc/16/49/30/678164930.db2.gz HXUCVDPFJXAKTP-UHFFFAOYSA-N 1 1 305.338 -1.091 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072832935 678165079 /nfs/dbraw/zinc/16/50/79/678165079.db2.gz VGWVDUHOPGKYRE-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895015 678165536 /nfs/dbraw/zinc/16/55/36/678165536.db2.gz WITADOAUTKAFEG-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895015 678165539 /nfs/dbraw/zinc/16/55/39/678165539.db2.gz WITADOAUTKAFEG-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072894671 678165565 /nfs/dbraw/zinc/16/55/65/678165565.db2.gz CCNSFXMVYCUESP-UHFFFAOYSA-N 1 1 309.370 -1.579 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072894671 678165566 /nfs/dbraw/zinc/16/55/66/678165566.db2.gz CCNSFXMVYCUESP-UHFFFAOYSA-N 1 1 309.370 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881336 678165648 /nfs/dbraw/zinc/16/56/48/678165648.db2.gz OPVIHUPRGGWOEO-SNVBAGLBSA-N 1 1 322.369 -2.010 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072886558 678165759 /nfs/dbraw/zinc/16/57/59/678165759.db2.gz WDUOATGLWWGGNT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072886558 678165760 /nfs/dbraw/zinc/16/57/60/678165760.db2.gz WDUOATGLWWGGNT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001072886566 678165773 /nfs/dbraw/zinc/16/57/73/678165773.db2.gz WGPBBXOEYACQEO-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072929836 678166062 /nfs/dbraw/zinc/16/60/62/678166062.db2.gz VXNDLEGTMUDMLL-NXEZZACHSA-N 1 1 307.354 -1.909 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072929901 678166078 /nfs/dbraw/zinc/16/60/78/678166078.db2.gz XLBBBNXORIGCEF-GHMZBOCLSA-N 1 1 321.381 -1.519 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072929658 678166086 /nfs/dbraw/zinc/16/60/86/678166086.db2.gz PETYVGLNFIFPOS-JTQLQIEISA-N 1 1 309.370 -1.710 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)C1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072902838 678166282 /nfs/dbraw/zinc/16/62/82/678166282.db2.gz CLQVFPRLUMYYKG-LLVKDONJSA-N 1 1 302.396 -1.052 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)C1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072902838 678166284 /nfs/dbraw/zinc/16/62/84/678166284.db2.gz CLQVFPRLUMYYKG-LLVKDONJSA-N 1 1 302.396 -1.052 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931810 678166579 /nfs/dbraw/zinc/16/65/79/678166579.db2.gz LCQJUHPDHAVKGJ-NXEZZACHSA-N 1 1 309.370 -1.534 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)CCO1 ZINC001072938530 678166620 /nfs/dbraw/zinc/16/66/20/678166620.db2.gz YXZFTVMYGANADD-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)CCO1 ZINC001072938530 678166622 /nfs/dbraw/zinc/16/66/22/678166622.db2.gz YXZFTVMYGANADD-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)CCO1 ZINC001072938531 678166661 /nfs/dbraw/zinc/16/66/61/678166661.db2.gz YXZFTVMYGANADD-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2CCC3(CN(C(=O)C(N)=O)C3)C2)CCO1 ZINC001072938531 678166663 /nfs/dbraw/zinc/16/66/63/678166663.db2.gz YXZFTVMYGANADD-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072932767 678166688 /nfs/dbraw/zinc/16/66/88/678166688.db2.gz XCHXNEJWGHCZPT-NSHDSACASA-N 1 1 319.369 -1.469 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072932767 678166690 /nfs/dbraw/zinc/16/66/90/678166690.db2.gz XCHXNEJWGHCZPT-NSHDSACASA-N 1 1 319.369 -1.469 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072936069 678166863 /nfs/dbraw/zinc/16/68/63/678166863.db2.gz OFEMCYPFXCXUDT-LLVKDONJSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CCCN1C(=O)CNC1=O)C2 ZINC001072938382 678166872 /nfs/dbraw/zinc/16/68/72/678166872.db2.gz SCGQORCLXJCZIU-UHFFFAOYSA-N 1 1 323.353 -2.052 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072986099 678167117 /nfs/dbraw/zinc/16/71/17/678167117.db2.gz JPSIYOJJDQUEBY-AXFHLTTASA-N 1 1 308.382 -1.223 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001072984495 678167154 /nfs/dbraw/zinc/16/71/54/678167154.db2.gz BQGRJKWZVHEUHP-MNOVXSKESA-N 1 1 308.382 -1.270 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001072984495 678167156 /nfs/dbraw/zinc/16/71/56/678167156.db2.gz BQGRJKWZVHEUHP-MNOVXSKESA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977034 678167162 /nfs/dbraw/zinc/16/71/62/678167162.db2.gz KFPURLSUMKXJHE-GRYCIOLGSA-N 1 1 311.382 -1.066 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072986016 678167170 /nfs/dbraw/zinc/16/71/70/678167170.db2.gz HDCRKJSWLMQLLS-NEPJUHHUSA-N 1 1 318.381 -1.066 20 0 DAADMO C[C@]1(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CCNC1=O ZINC001072975349 678167183 /nfs/dbraw/zinc/16/71/83/678167183.db2.gz GIKCVXTTZZQNNZ-NHYWBVRUSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC001072975910 678167204 /nfs/dbraw/zinc/16/72/04/678167204.db2.gz OSDVPRPCDPWVLO-QMTHXVAHSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072986372 678167289 /nfs/dbraw/zinc/16/72/89/678167289.db2.gz SKCYMCKMKOWXQE-WOPDTQHZSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[C@@H]1CCC(=O)N1 ZINC001073005912 678167812 /nfs/dbraw/zinc/16/78/12/678167812.db2.gz JLHPKTZFJQTZMJ-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[C@@H]1CCC(=O)N1 ZINC001073005912 678167814 /nfs/dbraw/zinc/16/78/14/678167814.db2.gz JLHPKTZFJQTZMJ-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)S1(=O)=O ZINC001073053245 678167836 /nfs/dbraw/zinc/16/78/36/678167836.db2.gz BCKZXCIFUXRRDQ-NSHDSACASA-N 1 1 317.411 -1.453 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073020128 678167867 /nfs/dbraw/zinc/16/78/67/678167867.db2.gz LHVXANWCCIWUGF-JTQLQIEISA-N 1 1 310.354 -1.499 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057401 678168162 /nfs/dbraw/zinc/16/81/62/678168162.db2.gz XGTYPAWDKIPIMP-UHFFFAOYSA-N 1 1 308.338 -1.941 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057401 678168164 /nfs/dbraw/zinc/16/81/64/678168164.db2.gz XGTYPAWDKIPIMP-UHFFFAOYSA-N 1 1 308.338 -1.941 20 0 DAADMO CCn1nc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)ccc1=O ZINC001073064785 678168259 /nfs/dbraw/zinc/16/82/59/678168259.db2.gz FLFHGLRMZKZVOJ-UHFFFAOYSA-N 1 1 319.365 -1.104 20 0 DAADMO CCn1nc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)ccc1=O ZINC001073064785 678168260 /nfs/dbraw/zinc/16/82/60/678168260.db2.gz FLFHGLRMZKZVOJ-UHFFFAOYSA-N 1 1 319.365 -1.104 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073074853 678168270 /nfs/dbraw/zinc/16/82/70/678168270.db2.gz BMWDBVUGCPMMGG-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060947 678168276 /nfs/dbraw/zinc/16/82/76/678168276.db2.gz RTPFYGNZGKQMPR-JTQLQIEISA-N 1 1 310.354 -1.547 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)N(C)C3=O)C2)C1 ZINC001073123527 678168684 /nfs/dbraw/zinc/16/86/84/678168684.db2.gz ZLJZRALVZDYIPF-NSHDSACASA-N 1 1 324.381 -1.205 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1=O ZINC001073123245 678168971 /nfs/dbraw/zinc/16/89/71/678168971.db2.gz PFYCKSPUCHYBOE-UHFFFAOYSA-N 1 1 310.354 -1.593 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001073124218 678168980 /nfs/dbraw/zinc/16/89/80/678168980.db2.gz BNVLHMMZZFCGDX-SNVBAGLBSA-N 1 1 318.381 -1.071 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC001073124218 678168981 /nfs/dbraw/zinc/16/89/81/678168981.db2.gz BNVLHMMZZFCGDX-SNVBAGLBSA-N 1 1 318.381 -1.071 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001073158083 678169209 /nfs/dbraw/zinc/16/92/09/678169209.db2.gz LHDCLFZFYFMVKN-ZDUSSCGKSA-N 1 1 311.382 -1.240 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001073412935 678171226 /nfs/dbraw/zinc/17/12/26/678171226.db2.gz MFEUSWPBMTZNOJ-SNVBAGLBSA-N 1 1 310.354 -1.547 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001073457573 678171473 /nfs/dbraw/zinc/17/14/73/678171473.db2.gz WKWSFAKCZGEHCL-UHFFFAOYSA-N 1 1 322.369 -1.442 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073441197 678171560 /nfs/dbraw/zinc/17/15/60/678171560.db2.gz BAVHDMBCEHTABX-CYBMUJFWSA-N 1 1 311.382 -1.240 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073443126 678171622 /nfs/dbraw/zinc/17/16/22/678171622.db2.gz BPTRXKZNWADGHM-GFCCVEGCSA-N 1 1 324.381 -1.747 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073443126 678171623 /nfs/dbraw/zinc/17/16/23/678171623.db2.gz BPTRXKZNWADGHM-GFCCVEGCSA-N 1 1 324.381 -1.747 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414928 678171645 /nfs/dbraw/zinc/17/16/45/678171645.db2.gz OHPWRNNSBBGOCC-UHFFFAOYSA-N 1 1 322.365 -1.584 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC001073414928 678171649 /nfs/dbraw/zinc/17/16/49/678171649.db2.gz OHPWRNNSBBGOCC-UHFFFAOYSA-N 1 1 322.365 -1.584 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073491915 678172149 /nfs/dbraw/zinc/17/21/49/678172149.db2.gz MTRLVRQOFNEUOS-ZJUUUORDSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001073467809 678172158 /nfs/dbraw/zinc/17/21/58/678172158.db2.gz JFWFMQBZTZWKHO-JTQLQIEISA-N 1 1 321.381 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073485926 678172173 /nfs/dbraw/zinc/17/21/73/678172173.db2.gz IFHRZYSBJBWBBI-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001073485926 678172175 /nfs/dbraw/zinc/17/21/75/678172175.db2.gz IFHRZYSBJBWBBI-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)n(C)c1=O ZINC001073468094 678172192 /nfs/dbraw/zinc/17/21/92/678172192.db2.gz VAWDNOKOROLGKT-UHFFFAOYSA-N 1 1 307.354 -1.643 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)n(C)c1=O ZINC001073468094 678172195 /nfs/dbraw/zinc/17/21/95/678172195.db2.gz VAWDNOKOROLGKT-UHFFFAOYSA-N 1 1 307.354 -1.643 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC1=O ZINC001073463513 678172227 /nfs/dbraw/zinc/17/22/27/678172227.db2.gz IEBXOKZVFGMDCQ-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC1=O ZINC001073463513 678172228 /nfs/dbraw/zinc/17/22/28/678172228.db2.gz IEBXOKZVFGMDCQ-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526762 678172514 /nfs/dbraw/zinc/17/25/14/678172514.db2.gz KLRNFOQDQZTMPN-SNVBAGLBSA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526762 678172518 /nfs/dbraw/zinc/17/25/18/678172518.db2.gz KLRNFOQDQZTMPN-SNVBAGLBSA-N 1 1 323.353 -1.251 20 0 DAADMO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCCO1 ZINC001073497121 678172584 /nfs/dbraw/zinc/17/25/84/678172584.db2.gz ASYAJSNSJLPYKF-CYBMUJFWSA-N 1 1 324.381 -1.189 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCCO1 ZINC001073497121 678172585 /nfs/dbraw/zinc/17/25/85/678172585.db2.gz ASYAJSNSJLPYKF-CYBMUJFWSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@H]1COCCO1 ZINC001073543820 678173178 /nfs/dbraw/zinc/17/31/78/678173178.db2.gz QDQRHPQQVPWTPP-CHWSQXEVSA-N 1 1 302.371 -1.009 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564069 678174056 /nfs/dbraw/zinc/17/40/56/678174056.db2.gz QDEFKUGKGBKACW-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC(N)=O)CCCO2)C1 ZINC001073564069 678174058 /nfs/dbraw/zinc/17/40/58/678174058.db2.gz QDEFKUGKGBKACW-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564082 678174080 /nfs/dbraw/zinc/17/40/80/678174080.db2.gz QKEFCVYYOAKRSX-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588043 678174483 /nfs/dbraw/zinc/17/44/83/678174483.db2.gz YAFTTYJJYZLJHG-QWRGUYRKSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588043 678174485 /nfs/dbraw/zinc/17/44/85/678174485.db2.gz YAFTTYJJYZLJHG-QWRGUYRKSA-N 1 1 324.385 -1.100 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1COC(=O)N1 ZINC001073590147 678174561 /nfs/dbraw/zinc/17/45/61/678174561.db2.gz YJBWEOIGTSHDBW-MNOVXSKESA-N 1 1 301.343 -1.316 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@H]1COC(=O)N1 ZINC001073590146 678174566 /nfs/dbraw/zinc/17/45/66/678174566.db2.gz YJBWEOIGTSHDBW-GHMZBOCLSA-N 1 1 301.343 -1.316 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1COC(=O)N1 ZINC001073590148 678174585 /nfs/dbraw/zinc/17/45/85/678174585.db2.gz YJBWEOIGTSHDBW-QWRGUYRKSA-N 1 1 301.343 -1.316 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073593057 678175226 /nfs/dbraw/zinc/17/52/26/678175226.db2.gz FCMDBHNPWVIJTN-WDEREUQCSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073593057 678175231 /nfs/dbraw/zinc/17/52/31/678175231.db2.gz FCMDBHNPWVIJTN-WDEREUQCSA-N 1 1 322.369 -1.476 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591949 678175253 /nfs/dbraw/zinc/17/52/53/678175253.db2.gz UYMKKKQUWVUSSE-PWSUYJOCSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591949 678175254 /nfs/dbraw/zinc/17/52/54/678175254.db2.gz UYMKKKQUWVUSSE-PWSUYJOCSA-N 1 1 324.385 -1.100 20 0 DAADMO C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620970 678175808 /nfs/dbraw/zinc/17/58/08/678175808.db2.gz SSKHJTPQGZWCCM-JQWIXIFHSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620970 678175809 /nfs/dbraw/zinc/17/58/09/678175809.db2.gz SSKHJTPQGZWCCM-JQWIXIFHSA-N 1 1 320.411 -1.381 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)cc1=O ZINC001073641812 678175848 /nfs/dbraw/zinc/17/58/48/678175848.db2.gz BWZKTMYRDMUMTK-NSHDSACASA-N 1 1 310.354 -1.407 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)c1cccn2nnnc12 ZINC001073616471 678176068 /nfs/dbraw/zinc/17/60/68/678176068.db2.gz XBISOYOIBXKBEG-LLVKDONJSA-N 1 1 320.353 -1.063 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)cc1=O ZINC001073641811 678176154 /nfs/dbraw/zinc/17/61/54/678176154.db2.gz BWZKTMYRDMUMTK-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620972 678176168 /nfs/dbraw/zinc/17/61/68/678176168.db2.gz SSKHJTPQGZWCCM-ZYHUDNBSSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620972 678176171 /nfs/dbraw/zinc/17/61/71/678176171.db2.gz SSKHJTPQGZWCCM-ZYHUDNBSSA-N 1 1 320.411 -1.381 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648055 678176556 /nfs/dbraw/zinc/17/65/56/678176556.db2.gz SLUXZDRDZXXYCR-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648055 678176557 /nfs/dbraw/zinc/17/65/57/678176557.db2.gz SLUXZDRDZXXYCR-NSHDSACASA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648053 678176642 /nfs/dbraw/zinc/17/66/42/678176642.db2.gz SLUXZDRDZXXYCR-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648053 678176648 /nfs/dbraw/zinc/17/66/48/678176648.db2.gz SLUXZDRDZXXYCR-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648257 678176759 /nfs/dbraw/zinc/17/67/59/678176759.db2.gz WKBHCLRFKHQDCO-MWLCHTKSSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648257 678176763 /nfs/dbraw/zinc/17/67/63/678176763.db2.gz WKBHCLRFKHQDCO-MWLCHTKSSA-N 1 1 323.353 -1.123 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073665625 678177318 /nfs/dbraw/zinc/17/73/18/678177318.db2.gz ZOHVPWROXXQTDG-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)O1 ZINC001073660640 678177470 /nfs/dbraw/zinc/17/74/70/678177470.db2.gz KQRXBBOKSRXVGH-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073722847 678178348 /nfs/dbraw/zinc/17/83/48/678178348.db2.gz TXJIKCHQOKHTCE-WDEREUQCSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073722847 678178350 /nfs/dbraw/zinc/17/83/50/678178350.db2.gz TXJIKCHQOKHTCE-WDEREUQCSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073722844 678178386 /nfs/dbraw/zinc/17/83/86/678178386.db2.gz TXJIKCHQOKHTCE-GHMZBOCLSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001073722844 678178388 /nfs/dbraw/zinc/17/83/88/678178388.db2.gz TXJIKCHQOKHTCE-GHMZBOCLSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073722845 678178513 /nfs/dbraw/zinc/17/85/13/678178513.db2.gz TXJIKCHQOKHTCE-MNOVXSKESA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001073722845 678178515 /nfs/dbraw/zinc/17/85/15/678178515.db2.gz TXJIKCHQOKHTCE-MNOVXSKESA-N 1 1 322.369 -1.178 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)c1ccn2nnnc2c1 ZINC001073723103 678178578 /nfs/dbraw/zinc/17/85/78/678178578.db2.gz ZVXGXWCTPKTCEL-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073722824 678178614 /nfs/dbraw/zinc/17/86/14/678178614.db2.gz SUAISMCJTDIQHC-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073722824 678178618 /nfs/dbraw/zinc/17/86/18/678178618.db2.gz SUAISMCJTDIQHC-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073733805 678178919 /nfs/dbraw/zinc/17/89/19/678178919.db2.gz KDQCOUUMSNITIW-UWVGGRQHSA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073733805 678178923 /nfs/dbraw/zinc/17/89/23/678178923.db2.gz KDQCOUUMSNITIW-UWVGGRQHSA-N 1 1 323.357 -2.081 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733823 678179229 /nfs/dbraw/zinc/17/92/29/678179229.db2.gz KJAGCINRSDRGQO-RGDJUOJXSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733823 678179232 /nfs/dbraw/zinc/17/92/32/678179232.db2.gz KJAGCINRSDRGQO-RGDJUOJXSA-N 1 1 323.393 -1.026 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001073726322 678179245 /nfs/dbraw/zinc/17/92/45/678179245.db2.gz INCOZTYCNZLFDJ-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)c1c[nH]c(=O)cn1 ZINC001073748208 678179354 /nfs/dbraw/zinc/17/93/54/678179354.db2.gz CIMYFPZHIFZDLS-NSHDSACASA-N 1 1 310.354 -1.027 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073733807 678179405 /nfs/dbraw/zinc/17/94/05/678179405.db2.gz KDQCOUUMSNITIW-ZJUUUORDSA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073733807 678179407 /nfs/dbraw/zinc/17/94/07/678179407.db2.gz KDQCOUUMSNITIW-ZJUUUORDSA-N 1 1 323.357 -2.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734263 678179450 /nfs/dbraw/zinc/17/94/50/678179450.db2.gz QXBZDJBGTTZDLR-OBPIAQAESA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734263 678179451 /nfs/dbraw/zinc/17/94/51/678179451.db2.gz QXBZDJBGTTZDLR-OBPIAQAESA-N 1 1 311.382 -1.040 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCF)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073796185 678180118 /nfs/dbraw/zinc/18/01/18/678180118.db2.gz KKDBPPJIUAVMPW-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCF)CCCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001073796185 678180119 /nfs/dbraw/zinc/18/01/19/678180119.db2.gz KKDBPPJIUAVMPW-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880807 678182871 /nfs/dbraw/zinc/18/28/71/678182871.db2.gz UDHFLVUGAYKQAD-NWDGAFQWSA-N 1 1 324.381 -1.018 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073880163 678182904 /nfs/dbraw/zinc/18/29/04/678182904.db2.gz ALGZZRMHZDMCHM-SNVBAGLBSA-N 1 1 323.353 -1.612 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073896325 678183077 /nfs/dbraw/zinc/18/30/77/678183077.db2.gz PUQRQXOXAWKZEU-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886549 678183194 /nfs/dbraw/zinc/18/31/94/678183194.db2.gz RCWRWYWFMULOMG-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)nc1 ZINC001073905335 678183667 /nfs/dbraw/zinc/18/36/67/678183667.db2.gz CAHLCEDETKLHDF-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO CC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400111 678193967 /nfs/dbraw/zinc/19/39/67/678193967.db2.gz OWJKKMHWFDMRAV-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001074400111 678193969 /nfs/dbraw/zinc/19/39/69/678193969.db2.gz OWJKKMHWFDMRAV-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C[C@H]1CCNC1=O ZINC001074683323 678200451 /nfs/dbraw/zinc/20/04/51/678200451.db2.gz WZLXCYXBZMTYQM-AXFHLTTASA-N 1 1 321.385 -1.185 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074702944 678202208 /nfs/dbraw/zinc/20/22/08/678202208.db2.gz SXDJAVUAVDIADQ-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074728646 678203490 /nfs/dbraw/zinc/20/34/90/678203490.db2.gz SGXPUZVBENWRAT-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798444 678204508 /nfs/dbraw/zinc/20/45/08/678204508.db2.gz LMQASIAXYYHAFV-ZMLRMANQSA-N 1 1 321.385 -1.082 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@H]2C)[nH]1 ZINC001074844711 678205522 /nfs/dbraw/zinc/20/55/22/678205522.db2.gz UQIIMAHMSBFOMC-UJNFCWOMSA-N 1 1 307.358 -1.126 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001075037799 678208095 /nfs/dbraw/zinc/20/80/95/678208095.db2.gz QPBBXBFXHUFEIA-AEJSXWLSSA-N 1 1 306.370 -1.026 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001075037799 678208099 /nfs/dbraw/zinc/20/80/99/678208099.db2.gz QPBBXBFXHUFEIA-AEJSXWLSSA-N 1 1 306.370 -1.026 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)C1 ZINC001041100635 678214856 /nfs/dbraw/zinc/21/48/56/678214856.db2.gz RGPHPGOAAVIJMQ-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C3CCC3)C2)C1 ZINC001041100635 678214857 /nfs/dbraw/zinc/21/48/57/678214857.db2.gz RGPHPGOAAVIJMQ-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001067080992 678215038 /nfs/dbraw/zinc/21/50/38/678215038.db2.gz YWWKDVFPRBVXKZ-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001067080992 678215043 /nfs/dbraw/zinc/21/50/43/678215043.db2.gz YWWKDVFPRBVXKZ-SNVBAGLBSA-N 1 1 300.359 -1.891 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019390551 678215817 /nfs/dbraw/zinc/21/58/17/678215817.db2.gz PPGGCLHNFZNDMX-AXFHLTTASA-N 1 1 321.385 -1.375 20 0 DAADMO Cn1ncc(CCC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001019392658 678216155 /nfs/dbraw/zinc/21/61/55/678216155.db2.gz IMJSHDHJUGGBQI-NSHDSACASA-N 1 1 319.373 -1.338 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1nnnn1C ZINC001019629057 678216966 /nfs/dbraw/zinc/21/69/66/678216966.db2.gz FBTGVGUBYOGLIP-IUCAKERBSA-N 1 1 305.346 -1.178 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001020305745 678218177 /nfs/dbraw/zinc/21/81/77/678218177.db2.gz OQQNAVKQRLYSRB-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nncs3)C2)c1=O ZINC001020328122 678218279 /nfs/dbraw/zinc/21/82/79/678218279.db2.gz PWBGFCUIRHPWJD-KYZUINATSA-N 1 1 323.382 -1.130 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1)OC ZINC001039043081 678220923 /nfs/dbraw/zinc/22/09/23/678220923.db2.gz BZZPBMSGCBQFIW-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001038935115 678221106 /nfs/dbraw/zinc/22/11/06/678221106.db2.gz FWYRHINQFUBOHE-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCC(=O)N1 ZINC001038935115 678221110 /nfs/dbraw/zinc/22/11/10/678221110.db2.gz FWYRHINQFUBOHE-MNOVXSKESA-N 1 1 322.365 -1.396 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1)OC ZINC001039043079 678221146 /nfs/dbraw/zinc/22/11/46/678221146.db2.gz BZZPBMSGCBQFIW-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2CCO)nn1 ZINC001039053540 678222118 /nfs/dbraw/zinc/22/21/18/678222118.db2.gz UEERWDDWBNZRDN-SNVBAGLBSA-N 1 1 310.358 -1.837 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+]2CCO)nn1 ZINC001039053540 678222119 /nfs/dbraw/zinc/22/21/19/678222119.db2.gz UEERWDDWBNZRDN-SNVBAGLBSA-N 1 1 310.358 -1.837 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001039453149 678223072 /nfs/dbraw/zinc/22/30/72/678223072.db2.gz LCKFWUTVUBZJLN-TUAOUCFPSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cnon3)C2)C1 ZINC001039759871 678228654 /nfs/dbraw/zinc/22/86/54/678228654.db2.gz CLLCTADAWPHEQB-QMTHXVAHSA-N 1 1 323.353 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001039760083 678228697 /nfs/dbraw/zinc/22/86/97/678228697.db2.gz HFNSRPJUQLVMEI-QMTHXVAHSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)CC[N@H+]1C ZINC001039858249 678230496 /nfs/dbraw/zinc/23/04/96/678230496.db2.gz NAIBXOASBUDLNH-GPCCPHFNSA-N 1 1 312.370 -2.109 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039934946 678230754 /nfs/dbraw/zinc/23/07/54/678230754.db2.gz PFCHMNPBSVBQGE-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039934946 678230758 /nfs/dbraw/zinc/23/07/58/678230758.db2.gz PFCHMNPBSVBQGE-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060855 678231642 /nfs/dbraw/zinc/23/16/42/678231642.db2.gz YSBBQTVNKBNZFN-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060855 678231643 /nfs/dbraw/zinc/23/16/43/678231643.db2.gz YSBBQTVNKBNZFN-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040206435 678234329 /nfs/dbraw/zinc/23/43/29/678234329.db2.gz WLCOIPKKXNMRMI-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040182598 678234393 /nfs/dbraw/zinc/23/43/93/678234393.db2.gz VGRPAGARLMNCPQ-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001040269320 678237072 /nfs/dbraw/zinc/23/70/72/678237072.db2.gz QMHGTHHYQBEDND-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269320 678237075 /nfs/dbraw/zinc/23/70/75/678237075.db2.gz QMHGTHHYQBEDND-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269320 678237078 /nfs/dbraw/zinc/23/70/78/678237078.db2.gz QMHGTHHYQBEDND-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC001040328884 678238892 /nfs/dbraw/zinc/23/88/92/678238892.db2.gz QUWCPKMZJGWJSV-IAQYHMDHSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC001040328884 678238894 /nfs/dbraw/zinc/23/88/94/678238894.db2.gz QUWCPKMZJGWJSV-IAQYHMDHSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001040329971 678238973 /nfs/dbraw/zinc/23/89/73/678238973.db2.gz YRHSBOZOIBQLLK-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001040329971 678238975 /nfs/dbraw/zinc/23/89/75/678238975.db2.gz YRHSBOZOIBQLLK-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040363699 678239368 /nfs/dbraw/zinc/23/93/68/678239368.db2.gz IDGYGXYFGKNDDP-HZMBPMFUSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040363699 678239374 /nfs/dbraw/zinc/23/93/74/678239374.db2.gz IDGYGXYFGKNDDP-HZMBPMFUSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC001040367746 678239402 /nfs/dbraw/zinc/23/94/02/678239402.db2.gz AAFCOGDJEKGZQJ-HNNXBMFYSA-N 1 1 323.397 -1.189 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040452161 678241268 /nfs/dbraw/zinc/24/12/68/678241268.db2.gz WQPRKSIWFQJPPI-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040456795 678241277 /nfs/dbraw/zinc/24/12/77/678241277.db2.gz RJIHBBFMSGXVTF-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040495869 678242539 /nfs/dbraw/zinc/24/25/39/678242539.db2.gz PHSLRNDLYFVSRB-YGRLFVJLSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040495869 678242541 /nfs/dbraw/zinc/24/25/41/678242541.db2.gz PHSLRNDLYFVSRB-YGRLFVJLSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040499247 678242820 /nfs/dbraw/zinc/24/28/20/678242820.db2.gz JFQIMXAIDLOVFA-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040743168 678250565 /nfs/dbraw/zinc/25/05/65/678250565.db2.gz JZQSLTCDHGVWEV-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001040744448 678251515 /nfs/dbraw/zinc/25/15/15/678251515.db2.gz XVLDLEANQVDKKS-GJZGRUSLSA-N 1 1 324.381 -1.963 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040903877 678257297 /nfs/dbraw/zinc/25/72/97/678257297.db2.gz GASVLYLSIXAPST-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040921881 678257757 /nfs/dbraw/zinc/25/77/57/678257757.db2.gz FKFQRFPMTKOAGN-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040927839 678258414 /nfs/dbraw/zinc/25/84/14/678258414.db2.gz YWQLGRMKMUBNBL-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001040972908 678260319 /nfs/dbraw/zinc/26/03/19/678260319.db2.gz OSLGUWSZJVYOJF-IJLUTSLNSA-N 1 1 307.354 -1.527 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)C1 ZINC001040972908 678260323 /nfs/dbraw/zinc/26/03/23/678260323.db2.gz OSLGUWSZJVYOJF-IJLUTSLNSA-N 1 1 307.354 -1.527 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)nc(C)[nH+]1 ZINC001041005597 678261036 /nfs/dbraw/zinc/26/10/36/678261036.db2.gz GGKXKIMFSWQAGQ-OUAUKWLOSA-N 1 1 321.337 -1.132 20 0 DAADMO CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001041047648 678262364 /nfs/dbraw/zinc/26/23/64/678262364.db2.gz QQVPMFYMEOZLCH-MBHSVXNSSA-N 1 1 309.366 -1.441 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052034 678263007 /nfs/dbraw/zinc/26/30/07/678263007.db2.gz CWWCXVIIEMRWGH-CQSZACIVSA-N 1 1 321.385 -1.314 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)C1 ZINC001041099869 678264772 /nfs/dbraw/zinc/26/47/72/678264772.db2.gz STOMKHKFBXXXTE-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CC3)C2)C1 ZINC001041099869 678264774 /nfs/dbraw/zinc/26/47/74/678264774.db2.gz STOMKHKFBXXXTE-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001041142668 678266146 /nfs/dbraw/zinc/26/61/46/678266146.db2.gz DIGQEJWDPZDBDV-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)CC(=O)N1CC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041152273 678266548 /nfs/dbraw/zinc/26/65/48/678266548.db2.gz JRESRLFMIUSDOS-BONVTDFDSA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041152279 678266620 /nfs/dbraw/zinc/26/66/20/678266620.db2.gz JRESRLFMIUSDOS-ZUZCIYMTSA-N 1 1 322.365 -1.409 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167789 678268804 /nfs/dbraw/zinc/26/88/04/678268804.db2.gz RNEVKIYAQYYZEO-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167790 678269163 /nfs/dbraw/zinc/26/91/63/678269163.db2.gz RNEVKIYAQYYZEO-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC001041196403 678269965 /nfs/dbraw/zinc/26/99/65/678269965.db2.gz SGLDGDKYCZHEBY-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccco3)C2)C1 ZINC001041206396 678270407 /nfs/dbraw/zinc/27/04/07/678270407.db2.gz UKUNXTBQVGEXDP-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccco3)C2)C1 ZINC001041206396 678270408 /nfs/dbraw/zinc/27/04/08/678270408.db2.gz UKUNXTBQVGEXDP-LBPRGKRZSA-N 1 1 323.349 -1.087 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041227377 678271836 /nfs/dbraw/zinc/27/18/36/678271836.db2.gz IJJJMGKXNPZMNJ-IUODEOHRSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041280793 678273463 /nfs/dbraw/zinc/27/34/63/678273463.db2.gz RKXRNIBYTWCZQI-ZDUSSCGKSA-N 1 1 307.358 -1.657 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287250 678273847 /nfs/dbraw/zinc/27/38/47/678273847.db2.gz AODRUXBOJZRTGR-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041290739 678274669 /nfs/dbraw/zinc/27/46/69/678274669.db2.gz PMDQAGMQWSQZSU-GWCFXTLKSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)n1 ZINC001041302136 678275014 /nfs/dbraw/zinc/27/50/14/678275014.db2.gz UJFODZOQBWLRRR-CQSZACIVSA-N 1 1 322.369 -1.706 20 0 DAADMO CC(C)=CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041311947 678275750 /nfs/dbraw/zinc/27/57/50/678275750.db2.gz SZNIHEKUMWHBFD-GFCCVEGCSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)=CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041311947 678275752 /nfs/dbraw/zinc/27/57/52/678275752.db2.gz SZNIHEKUMWHBFD-GFCCVEGCSA-N 1 1 311.382 -1.027 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1=O ZINC001041338345 678278684 /nfs/dbraw/zinc/27/86/84/678278684.db2.gz GKLRULHGXNLFCF-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001041355448 678280190 /nfs/dbraw/zinc/28/01/90/678280190.db2.gz XHWGAHIUBFZYOT-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041368229 678281236 /nfs/dbraw/zinc/28/12/36/678281236.db2.gz KQRYPHVJJIZSFM-LKFCYVNXSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001041378525 678281493 /nfs/dbraw/zinc/28/14/93/678281493.db2.gz KJWNRCGSRKHKNE-IAQYHMDHSA-N 1 1 308.382 -1.078 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041385054 678282934 /nfs/dbraw/zinc/28/29/34/678282934.db2.gz SXNZQXODAPHCFE-UHFFFAOYSA-N 1 1 315.374 -2.314 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041386740 678283094 /nfs/dbraw/zinc/28/30/94/678283094.db2.gz BUBJMULAGRARTP-SECBINFHSA-N 1 1 313.358 -2.704 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3cnnn3)C2)C1 ZINC001041408263 678286093 /nfs/dbraw/zinc/28/60/93/678286093.db2.gz QQGSSKOQNOXXTB-SNVBAGLBSA-N 1 1 323.357 -2.686 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423866 678286514 /nfs/dbraw/zinc/28/65/14/678286514.db2.gz WAQZYFQNWGXMBO-DOMZBBRYSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423868 678286702 /nfs/dbraw/zinc/28/67/02/678286702.db2.gz WAQZYFQNWGXMBO-SWLSCSKDSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)C1 ZINC001041439031 678287751 /nfs/dbraw/zinc/28/77/51/678287751.db2.gz ZZTVZUQLBBZDQD-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc[nH]3)C2)C1 ZINC001041439031 678287755 /nfs/dbraw/zinc/28/77/55/678287755.db2.gz ZZTVZUQLBBZDQD-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001041464910 678288529 /nfs/dbraw/zinc/28/85/29/678288529.db2.gz WRCJEDFOHDAAKJ-UHFFFAOYSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3cccn3)C2)C1 ZINC001041464928 678288800 /nfs/dbraw/zinc/28/88/00/678288800.db2.gz XBTOCEJCOFMGAF-GFCCVEGCSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001041466868 678289010 /nfs/dbraw/zinc/28/90/10/678289010.db2.gz SAKRICSFKYTXDC-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CNC(=O)C1 ZINC001041497139 678289616 /nfs/dbraw/zinc/28/96/16/678289616.db2.gz FVEMLZAZLNRIAB-CABCVRRESA-N 1 1 308.382 -1.078 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001041510117 678290253 /nfs/dbraw/zinc/29/02/53/678290253.db2.gz UJIYFMXAPFSTQV-OAHLLOKOSA-N 1 1 323.397 -1.111 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)c1=O ZINC001041510116 678290300 /nfs/dbraw/zinc/29/03/00/678290300.db2.gz UJIYFMXAPFSTQV-HNNXBMFYSA-N 1 1 323.397 -1.111 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041565677 678291079 /nfs/dbraw/zinc/29/10/79/678291079.db2.gz YBOBQZKJKILYGS-AWEZNQCLSA-N 1 1 321.385 -1.164 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H]4CCNC4=O)C3)C2)n1 ZINC001041562637 678291317 /nfs/dbraw/zinc/29/13/17/678291317.db2.gz CRVMZFLYPSCKQO-QMTHXVAHSA-N 1 1 319.369 -1.363 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041605627 678293673 /nfs/dbraw/zinc/29/36/73/678293673.db2.gz GDTRDUUBZYSNDI-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041605625 678293683 /nfs/dbraw/zinc/29/36/83/678293683.db2.gz GDTRDUUBZYSNDI-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041621867 678294761 /nfs/dbraw/zinc/29/47/61/678294761.db2.gz FWNJAXMCZCJRJN-CQSZACIVSA-N 1 1 309.370 -1.579 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001041623172 678295074 /nfs/dbraw/zinc/29/50/74/678295074.db2.gz NAVBXXJUJRMXDX-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001041630462 678295299 /nfs/dbraw/zinc/29/52/99/678295299.db2.gz VTMGQSHINFIGFI-DOMZBBRYSA-N 1 1 321.381 -1.346 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001041676624 678297865 /nfs/dbraw/zinc/29/78/65/678297865.db2.gz YUKVSMIXNJLVGR-FIXISWKDSA-N 1 1 324.381 -1.571 20 0 DAADMO C[C@]1(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CCNC1=O ZINC001041673081 678298042 /nfs/dbraw/zinc/29/80/42/678298042.db2.gz TZDJZPKAXOEHSF-GJZGRUSLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041700290 678299483 /nfs/dbraw/zinc/29/94/83/678299483.db2.gz ZLXMQKBNJJHABO-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041700290 678299486 /nfs/dbraw/zinc/29/94/86/678299486.db2.gz ZLXMQKBNJJHABO-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041742463 678301054 /nfs/dbraw/zinc/30/10/54/678301054.db2.gz CDFWPKXNXPGQEM-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041742365 678301186 /nfs/dbraw/zinc/30/11/86/678301186.db2.gz BETSOSBVZMIGHZ-AWEZNQCLSA-N 1 1 310.354 -1.545 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001041754058 678301513 /nfs/dbraw/zinc/30/15/13/678301513.db2.gz KWEBPMPFUYFMEZ-MNOVXSKESA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001041754058 678301515 /nfs/dbraw/zinc/30/15/15/678301515.db2.gz KWEBPMPFUYFMEZ-MNOVXSKESA-N 1 1 315.370 -1.959 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757180 678301656 /nfs/dbraw/zinc/30/16/56/678301656.db2.gz PXUDYHGBRCMZEC-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001041769575 678302358 /nfs/dbraw/zinc/30/23/58/678302358.db2.gz UABFWOMKBYHEJO-JTQLQIEISA-N 1 1 310.354 -1.084 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041774971 678303088 /nfs/dbraw/zinc/30/30/88/678303088.db2.gz BGVBIVSLELEPBW-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1=O ZINC001041786211 678303645 /nfs/dbraw/zinc/30/36/45/678303645.db2.gz SOXAKMCPZMSWBO-HNNXBMFYSA-N 1 1 324.381 -1.203 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC001041816627 678304009 /nfs/dbraw/zinc/30/40/09/678304009.db2.gz OXKZBGLLGJMGGZ-CQSZACIVSA-N 1 1 306.370 -1.052 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)ccc1=O ZINC001041818828 678304314 /nfs/dbraw/zinc/30/43/14/678304314.db2.gz UTXLFRMDLMGOBO-OAHLLOKOSA-N 1 1 319.365 -1.196 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041836263 678304613 /nfs/dbraw/zinc/30/46/13/678304613.db2.gz RUBPEVDKQFOCBW-DGCLKSJQSA-N 1 1 317.411 -1.405 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)C1 ZINC001041856173 678305335 /nfs/dbraw/zinc/30/53/35/678305335.db2.gz AHDILFIICIPZJZ-NHYWBVRUSA-N 1 1 323.397 -1.061 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCOC3)C2)C1 ZINC001041883448 678306160 /nfs/dbraw/zinc/30/61/60/678306160.db2.gz IEXSCJMDEFPLGQ-RYUDHWBXSA-N 1 1 311.382 -1.336 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987136 678309702 /nfs/dbraw/zinc/30/97/02/678309702.db2.gz XKSDIEXAUJCBHY-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@H]21 ZINC001041987136 678309707 /nfs/dbraw/zinc/30/97/07/678309707.db2.gz XKSDIEXAUJCBHY-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042022367 678310758 /nfs/dbraw/zinc/31/07/58/678310758.db2.gz XBENGFDYAOWEBV-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042022133 678310789 /nfs/dbraw/zinc/31/07/89/678310789.db2.gz VTLYQEPEAQFQAD-UWVGGRQHSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042022133 678310791 /nfs/dbraw/zinc/31/07/91/678310791.db2.gz VTLYQEPEAQFQAD-UWVGGRQHSA-N 1 1 308.342 -1.608 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)n1 ZINC001042066889 678312717 /nfs/dbraw/zinc/31/27/17/678312717.db2.gz LKISQLURVZRQSS-WDEREUQCSA-N 1 1 322.369 -1.708 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]c2)C1 ZINC001042091614 678314253 /nfs/dbraw/zinc/31/42/53/678314253.db2.gz CETHIYOGZXWOHT-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnccn2)C1 ZINC001042091535 678314510 /nfs/dbraw/zinc/31/45/10/678314510.db2.gz BWGCBUFNEBVQQV-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042092810 678314520 /nfs/dbraw/zinc/31/45/20/678314520.db2.gz RDTWOKQVSLQVGQ-LLVKDONJSA-N 1 1 312.370 -2.094 20 0 DAADMO Cn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001042091434 678314551 /nfs/dbraw/zinc/31/45/51/678314551.db2.gz AIXUWSUJMKGHJK-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042092333 678314604 /nfs/dbraw/zinc/31/46/04/678314604.db2.gz MWDSOBZARLVBIU-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042091505 678314643 /nfs/dbraw/zinc/31/46/43/678314643.db2.gz BJFWLYLGRKDWHS-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042091505 678314644 /nfs/dbraw/zinc/31/46/44/678314644.db2.gz BJFWLYLGRKDWHS-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cncnc2)C1 ZINC001042098586 678314889 /nfs/dbraw/zinc/31/48/89/678314889.db2.gz TZNDGCPPOLBCTF-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001042098707 678314921 /nfs/dbraw/zinc/31/49/21/678314921.db2.gz VCOMHWQQSJBGQU-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042104112 678314938 /nfs/dbraw/zinc/31/49/38/678314938.db2.gz KTRKBZBHXNFZRQ-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042096102 678314948 /nfs/dbraw/zinc/31/49/48/678314948.db2.gz AZCDDZWWYUTSEZ-CHWSQXEVSA-N 1 1 311.382 -1.240 20 0 DAADMO CNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042098864 678315007 /nfs/dbraw/zinc/31/50/07/678315007.db2.gz XPMAYNIYLSEMAI-SNVBAGLBSA-N 1 1 312.370 -2.094 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)cc1=O ZINC001042100595 678315024 /nfs/dbraw/zinc/31/50/24/678315024.db2.gz NPZRJZJGPMTLSX-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)cc1=O ZINC001042100595 678315026 /nfs/dbraw/zinc/31/50/26/678315026.db2.gz NPZRJZJGPMTLSX-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001042104097 678315066 /nfs/dbraw/zinc/31/50/66/678315066.db2.gz KQXPGXWKNKHPRU-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001042096731 678315112 /nfs/dbraw/zinc/31/51/12/678315112.db2.gz AEAWJUXAPZJVPW-LLVKDONJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cc1nonc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042103087 678315159 /nfs/dbraw/zinc/31/51/59/678315159.db2.gz AJIXZDPANLFZOU-JTQLQIEISA-N 1 1 323.353 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)O)C1 ZINC001042097493 678315208 /nfs/dbraw/zinc/31/52/08/678315208.db2.gz INQUEMJMHHDHJH-LLVKDONJSA-N 1 1 313.398 -1.069 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001042097810 678315238 /nfs/dbraw/zinc/31/52/38/678315238.db2.gz KCMHKNCPNADPFL-JTQLQIEISA-N 1 1 309.326 -1.533 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001042103485 678315388 /nfs/dbraw/zinc/31/53/88/678315388.db2.gz GAYUAGBMJWKHNZ-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001042103175 678315405 /nfs/dbraw/zinc/31/54/05/678315405.db2.gz CHTKSYWUEXKPHR-MKBNYLNASA-N 1 1 323.393 -1.193 20 0 DAADMO Cc1nonc1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042103088 678315499 /nfs/dbraw/zinc/31/54/99/678315499.db2.gz AJIXZDPANLFZOU-SNVBAGLBSA-N 1 1 323.353 -1.225 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001042097836 678315568 /nfs/dbraw/zinc/31/55/68/678315568.db2.gz KGGQLFPJYNJRTG-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001042104510 678315823 /nfs/dbraw/zinc/31/58/23/678315823.db2.gz PULJMKMWIRXEFG-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)c1=O ZINC001042123716 678317071 /nfs/dbraw/zinc/31/70/71/678317071.db2.gz UJYFTJHYAYOCKS-NEPJUHHUSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042191879 678317918 /nfs/dbraw/zinc/31/79/18/678317918.db2.gz UGDYELQCMFMIHU-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042191879 678317922 /nfs/dbraw/zinc/31/79/22/678317922.db2.gz UGDYELQCMFMIHU-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042185552 678318101 /nfs/dbraw/zinc/31/81/01/678318101.db2.gz UTHSUERAWPEBMQ-STQMWFEESA-N 1 1 310.398 -1.667 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042185736 678318257 /nfs/dbraw/zinc/31/82/57/678318257.db2.gz XEQLSSJHUKVSIA-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042183835 678318277 /nfs/dbraw/zinc/31/82/77/678318277.db2.gz NRTDCNWWZNVYGT-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042185737 678318363 /nfs/dbraw/zinc/31/83/63/678318363.db2.gz XEQLSSJHUKVSIA-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042191881 678318371 /nfs/dbraw/zinc/31/83/71/678318371.db2.gz UGDYELQCMFMIHU-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001042191881 678318373 /nfs/dbraw/zinc/31/83/73/678318373.db2.gz UGDYELQCMFMIHU-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 ZINC001042205267 678318444 /nfs/dbraw/zinc/31/84/44/678318444.db2.gz ABSXIAKZIXYHGO-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 ZINC001042205267 678318448 /nfs/dbraw/zinc/31/84/48/678318448.db2.gz ABSXIAKZIXYHGO-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001042212634 678318687 /nfs/dbraw/zinc/31/86/87/678318687.db2.gz HCZHEUSCKPQXAI-QWRGUYRKSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042211529 678319016 /nfs/dbraw/zinc/31/90/16/678319016.db2.gz SIGCETVEPSTCCK-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@H]2C1 ZINC001042211529 678319021 /nfs/dbraw/zinc/31/90/21/678319021.db2.gz SIGCETVEPSTCCK-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2C1 ZINC001042212636 678319046 /nfs/dbraw/zinc/31/90/46/678319046.db2.gz HCZHEUSCKPQXAI-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3ccon3)C2)C1 ZINC001042217211 678320285 /nfs/dbraw/zinc/32/02/85/678320285.db2.gz UVMPXRYGVOYPPF-LLVKDONJSA-N 1 1 322.365 -1.142 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042223735 678321341 /nfs/dbraw/zinc/32/13/41/678321341.db2.gz SVPNUWKWDLUTGN-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CC=CC3)C2)C1 ZINC001042240346 678322766 /nfs/dbraw/zinc/32/27/66/678322766.db2.gz RUQUYQLDYXQCEP-ZDUSSCGKSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C3CC=CC3)C2)C1 ZINC001042240346 678322770 /nfs/dbraw/zinc/32/27/70/678322770.db2.gz RUQUYQLDYXQCEP-ZDUSSCGKSA-N 1 1 323.393 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042264960 678323922 /nfs/dbraw/zinc/32/39/22/678323922.db2.gz BTJZVSWBNUDMMR-MWLCHTKSSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 ZINC001042264960 678323927 /nfs/dbraw/zinc/32/39/27/678323927.db2.gz BTJZVSWBNUDMMR-MWLCHTKSSA-N 1 1 322.365 -1.553 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295153 678324199 /nfs/dbraw/zinc/32/41/99/678324199.db2.gz LUKMEUCCIPFDEX-SNVBAGLBSA-N 1 1 301.343 -2.347 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295153 678324200 /nfs/dbraw/zinc/32/42/00/678324200.db2.gz LUKMEUCCIPFDEX-SNVBAGLBSA-N 1 1 301.343 -2.347 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001042294157 678324347 /nfs/dbraw/zinc/32/43/47/678324347.db2.gz AXENMROVVVATNF-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001042294157 678324350 /nfs/dbraw/zinc/32/43/50/678324350.db2.gz AXENMROVVVATNF-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@H]21 ZINC001042286922 678324416 /nfs/dbraw/zinc/32/44/16/678324416.db2.gz DODHEIFJLKJLSH-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CC=CC3)C2)C1 ZINC001042300508 678325034 /nfs/dbraw/zinc/32/50/34/678325034.db2.gz VZMSHMMZFNWTIR-ZDUSSCGKSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)C3CC=CC3)C2)C1 ZINC001042300508 678325037 /nfs/dbraw/zinc/32/50/37/678325037.db2.gz VZMSHMMZFNWTIR-ZDUSSCGKSA-N 1 1 323.393 -1.027 20 0 DAADMO CC[C@H](F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299554 678325041 /nfs/dbraw/zinc/32/50/41/678325041.db2.gz DLQYKQPHUVMAEK-WDEREUQCSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@H](F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299554 678325044 /nfs/dbraw/zinc/32/50/44/678325044.db2.gz DLQYKQPHUVMAEK-WDEREUQCSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299774 678325390 /nfs/dbraw/zinc/32/53/90/678325390.db2.gz IAKYMTHXTPFQJI-SRVKXCTJSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299774 678325392 /nfs/dbraw/zinc/32/53/92/678325392.db2.gz IAKYMTHXTPFQJI-SRVKXCTJSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299772 678325404 /nfs/dbraw/zinc/32/54/04/678325404.db2.gz IAKYMTHXTPFQJI-IJLUTSLNSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299772 678325406 /nfs/dbraw/zinc/32/54/06/678325406.db2.gz IAKYMTHXTPFQJI-IJLUTSLNSA-N 1 1 311.382 -1.338 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001042300293 678325442 /nfs/dbraw/zinc/32/54/42/678325442.db2.gz RVUNIKHIIKJOKS-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001042300293 678325444 /nfs/dbraw/zinc/32/54/44/678325444.db2.gz RVUNIKHIIKJOKS-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)/C=C\C3CC3)C2)C1 ZINC001042300609 678325484 /nfs/dbraw/zinc/32/54/84/678325484.db2.gz WRWJMHWYFKPBSM-ZFDPJTLLSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)/C=C\C3CC3)C2)C1 ZINC001042300609 678325488 /nfs/dbraw/zinc/32/54/88/678325488.db2.gz WRWJMHWYFKPBSM-ZFDPJTLLSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)C1 ZINC001042295770 678325531 /nfs/dbraw/zinc/32/55/31/678325531.db2.gz SJEXTLPHMBPVTA-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)C1 ZINC001042295770 678325533 /nfs/dbraw/zinc/32/55/33/678325533.db2.gz SJEXTLPHMBPVTA-LBPRGKRZSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001042299364 678325541 /nfs/dbraw/zinc/32/55/41/678325541.db2.gz BFZOGSGTBIQSKG-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001042299364 678325544 /nfs/dbraw/zinc/32/55/44/678325544.db2.gz BFZOGSGTBIQSKG-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)/C=C/C3CC3)C2)C1 ZINC001042312150 678325950 /nfs/dbraw/zinc/32/59/50/678325950.db2.gz JVLBMVWLIVQGLZ-IHVVCDCBSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)/C=C/C3CC3)C2)C1 ZINC001042312150 678325955 /nfs/dbraw/zinc/32/59/55/678325955.db2.gz JVLBMVWLIVQGLZ-IHVVCDCBSA-N 1 1 323.393 -1.027 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)c(=O)n1C ZINC001042333364 678326179 /nfs/dbraw/zinc/32/61/79/678326179.db2.gz OALHUTKCKWPNKT-CHWSQXEVSA-N 1 1 323.397 -1.195 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042344770 678326455 /nfs/dbraw/zinc/32/64/55/678326455.db2.gz AQNTXYXBUIZBDI-QWRGUYRKSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042346729 678326577 /nfs/dbraw/zinc/32/65/77/678326577.db2.gz WBSAZBPNFBGFOA-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)C1=O ZINC001042346445 678326778 /nfs/dbraw/zinc/32/67/78/678326778.db2.gz UIGZSWRGONBIIK-VXGBXAGGSA-N 1 1 324.381 -1.205 20 0 DAADMO C/C=C(\C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042430467 678328267 /nfs/dbraw/zinc/32/82/67/678328267.db2.gz ASBVLENZRKLGTQ-QNCMIEPLSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(\C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042430467 678328271 /nfs/dbraw/zinc/32/82/71/678328271.db2.gz ASBVLENZRKLGTQ-QNCMIEPLSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042456000 678328801 /nfs/dbraw/zinc/32/88/01/678328801.db2.gz VWJOFMOYMBUYKG-GFCCVEGCSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042544563 678331418 /nfs/dbraw/zinc/33/14/18/678331418.db2.gz OBGZTQWQHHONNN-CHWSQXEVSA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001042547048 678331675 /nfs/dbraw/zinc/33/16/75/678331675.db2.gz KBUMHLXQNATMQO-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCN(C)C2=O)C1 ZINC001042569915 678332840 /nfs/dbraw/zinc/33/28/40/678332840.db2.gz JPLZXANHLMYHSQ-QWHCGFSZSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCN(C)C2=O)C1 ZINC001042569915 678332842 /nfs/dbraw/zinc/33/28/42/678332842.db2.gz JPLZXANHLMYHSQ-QWHCGFSZSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001042573729 678332886 /nfs/dbraw/zinc/33/28/86/678332886.db2.gz RSDORASKTZHHCT-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001042573729 678332889 /nfs/dbraw/zinc/33/28/89/678332889.db2.gz RSDORASKTZHHCT-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042669823 678337050 /nfs/dbraw/zinc/33/70/50/678337050.db2.gz MXJUMJGBJMZMQB-RYUDHWBXSA-N 1 1 323.353 -1.505 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C3=CCOCC3)C2)C1 ZINC001042734923 678342410 /nfs/dbraw/zinc/34/24/10/678342410.db2.gz GKUIMZBLWFVZML-CYBMUJFWSA-N 1 1 323.393 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C3=CCOCC3)C2)C1 ZINC001042734924 678342448 /nfs/dbraw/zinc/34/24/48/678342448.db2.gz GKUIMZBLWFVZML-ZDUSSCGKSA-N 1 1 323.393 -1.026 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001042748415 678342936 /nfs/dbraw/zinc/34/29/36/678342936.db2.gz DYAHCIJHQNTTTQ-SECBINFHSA-N 1 1 310.358 -1.446 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001042738498 678343028 /nfs/dbraw/zinc/34/30/28/678343028.db2.gz YMDVICXOFUKXCB-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO CN(C(=O)Cn1nccn1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042798887 678345639 /nfs/dbraw/zinc/34/56/39/678345639.db2.gz IJBKYWGIVDWKOW-CYBMUJFWSA-N 1 1 319.369 -1.322 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042845977 678348026 /nfs/dbraw/zinc/34/80/26/678348026.db2.gz FZSIJSWYWJPICK-SNVBAGLBSA-N 1 1 310.354 -1.930 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042888028 678352202 /nfs/dbraw/zinc/35/22/02/678352202.db2.gz YCEVCQYDUQUISD-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001042893676 678353220 /nfs/dbraw/zinc/35/32/20/678353220.db2.gz PLUCPPXBQJFMCQ-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042895184 678353490 /nfs/dbraw/zinc/35/34/90/678353490.db2.gz HPRFCRPLDUBQIU-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001043059009 678363698 /nfs/dbraw/zinc/36/36/98/678363698.db2.gz CBFKMPKQDFIVOZ-QWRGUYRKSA-N 1 1 324.381 -1.964 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043091075 678364175 /nfs/dbraw/zinc/36/41/75/678364175.db2.gz OMJCGTPJMDROMV-UHFFFAOYSA-N 1 1 323.353 -1.819 20 0 DAADMO CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043114757 678365042 /nfs/dbraw/zinc/36/50/42/678365042.db2.gz ARVHYKZYVHALTG-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114757 678365047 /nfs/dbraw/zinc/36/50/47/678365047.db2.gz ARVHYKZYVHALTG-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cnccn3)C2)C1 ZINC001043114194 678365127 /nfs/dbraw/zinc/36/51/27/678365127.db2.gz TTZOJOHITGIHBJ-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001043113891 678365260 /nfs/dbraw/zinc/36/52/60/678365260.db2.gz QOCQGMNPFBRIAR-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001043113891 678365265 /nfs/dbraw/zinc/36/52/65/678365265.db2.gz QOCQGMNPFBRIAR-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001043113891 678365270 /nfs/dbraw/zinc/36/52/70/678365270.db2.gz QOCQGMNPFBRIAR-JTQLQIEISA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]n1 ZINC001043113522 678365328 /nfs/dbraw/zinc/36/53/28/678365328.db2.gz MUQRJZJSEFKMAS-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001043113522 678365330 /nfs/dbraw/zinc/36/53/30/678365330.db2.gz MUQRJZJSEFKMAS-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001043113522 678365332 /nfs/dbraw/zinc/36/53/32/678365332.db2.gz MUQRJZJSEFKMAS-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO COC[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114251 678365397 /nfs/dbraw/zinc/36/53/97/678365397.db2.gz VCEVCCISIKECGL-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001043113228 678365442 /nfs/dbraw/zinc/36/54/42/678365442.db2.gz INORUVQDWUUVBS-WDEREUQCSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043113267 678365483 /nfs/dbraw/zinc/36/54/83/678365483.db2.gz JMKMLKFUYSCYGT-NSHDSACASA-N 1 1 312.370 -2.236 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043117566 678365725 /nfs/dbraw/zinc/36/57/25/678365725.db2.gz VLIADKUHEMDWRV-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cccnn3)C2)C1 ZINC001043118189 678365742 /nfs/dbraw/zinc/36/57/42/678365742.db2.gz XKAZTGYPTNSWGX-LLVKDONJSA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cccnn3)C2)C1 ZINC001043118192 678365749 /nfs/dbraw/zinc/36/57/49/678365749.db2.gz XKAZTGYPTNSWGX-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cn3nccn3)C2)C1 ZINC001043114977 678366057 /nfs/dbraw/zinc/36/60/57/678366057.db2.gz CQJJFBPMRXRXKH-NSHDSACASA-N 1 1 322.369 -2.081 20 0 DAADMO Cn1nnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043120079 678366392 /nfs/dbraw/zinc/36/63/92/678366392.db2.gz JPNWGNCQYIJJIU-SECBINFHSA-N 1 1 323.357 -2.535 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3cnoc3)C2)C1 ZINC001043119830 678366438 /nfs/dbraw/zinc/36/64/38/678366438.db2.gz DPADHQBYBMJRAV-GFCCVEGCSA-N 1 1 322.365 -1.142 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043119278 678366522 /nfs/dbraw/zinc/36/65/22/678366522.db2.gz YIYLFTGIJXCHSS-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001043121252 678366541 /nfs/dbraw/zinc/36/65/41/678366541.db2.gz XSIHRFDPRJGRFK-MNOVXSKESA-N 1 1 324.381 -2.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccnnc3)C2)C1 ZINC001043119291 678366620 /nfs/dbraw/zinc/36/66/20/678366620.db2.gz YJMPMGIQLWBHBF-GFCCVEGCSA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001043120287 678366629 /nfs/dbraw/zinc/36/66/29/678366629.db2.gz MNVJBOFTMWYTPZ-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001043118821 678366823 /nfs/dbraw/zinc/36/68/23/678366823.db2.gz LWYYCXVFFDZCTD-MKBNYLNASA-N 1 1 323.393 -1.336 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 ZINC001043127266 678367323 /nfs/dbraw/zinc/36/73/23/678367323.db2.gz IBXJIKALWOHSRD-LBPRGKRZSA-N 1 1 322.365 -1.082 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043129640 678368155 /nfs/dbraw/zinc/36/81/55/678368155.db2.gz DMCKVCWMMWPAOW-JTQLQIEISA-N 1 1 310.354 -1.084 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043177052 678369542 /nfs/dbraw/zinc/36/95/42/678369542.db2.gz SKTMTUXIBSBQEJ-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001043235669 678373552 /nfs/dbraw/zinc/37/35/52/678373552.db2.gz YPJJYUOBLKAVMQ-WDEREUQCSA-N 1 1 324.381 -1.822 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043388299 678377428 /nfs/dbraw/zinc/37/74/28/678377428.db2.gz DIUNIIZQTGFEJN-RYCVTPFZSA-N 1 1 322.409 -1.262 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC001043392260 678377466 /nfs/dbraw/zinc/37/74/66/678377466.db2.gz PMHCLZMPQCIJMR-WBFHCKIUSA-N 1 1 308.382 -1.523 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC001043392258 678377485 /nfs/dbraw/zinc/37/74/85/678377485.db2.gz PMHCLZMPQCIJMR-JYHUIVOISA-N 1 1 308.382 -1.523 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392024 678377535 /nfs/dbraw/zinc/37/75/35/678377535.db2.gz OMBHWHSPRADCBS-VIHGGKNESA-N 1 1 322.409 -1.134 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430920 678379696 /nfs/dbraw/zinc/37/96/96/678379696.db2.gz NXGDAFKMEUDQHX-UHFFFAOYSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043430920 678379699 /nfs/dbraw/zinc/37/96/99/678379699.db2.gz NXGDAFKMEUDQHX-UHFFFAOYSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430920 678379702 /nfs/dbraw/zinc/37/97/02/678379702.db2.gz NXGDAFKMEUDQHX-UHFFFAOYSA-N 1 1 324.385 -1.244 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2cnc[nH]2)C1 ZINC001043429781 678379736 /nfs/dbraw/zinc/37/97/36/678379736.db2.gz FVNNNUGWZCYPQJ-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001043430753 678379896 /nfs/dbraw/zinc/37/98/96/678379896.db2.gz MKRLSVHQBBIEJU-UHFFFAOYSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001043428619 678379947 /nfs/dbraw/zinc/37/99/47/678379947.db2.gz QXQHBSTYXKCMEO-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1C[NH+](CCCO)C1 ZINC001043435793 678380285 /nfs/dbraw/zinc/38/02/85/678380285.db2.gz QZHPIBHPLNYHSF-LBPRGKRZSA-N 1 1 307.354 -1.110 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001043435295 678380584 /nfs/dbraw/zinc/38/05/84/678380584.db2.gz LOWCWEFJEDPNKL-SKDRFNHKSA-N 1 1 307.354 -1.111 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001043525581 678384708 /nfs/dbraw/zinc/38/47/08/678384708.db2.gz PWLIDRBVZMQEFJ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001043549904 678385510 /nfs/dbraw/zinc/38/55/10/678385510.db2.gz MOZIIFMMEWHIAM-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001043549908 678385520 /nfs/dbraw/zinc/38/55/20/678385520.db2.gz MOZIIFMMEWHIAM-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001043717701 678391849 /nfs/dbraw/zinc/39/18/49/678391849.db2.gz QMDYZBJXJFYEQL-LBPRGKRZSA-N 1 1 321.381 -1.476 20 0 DAADMO Cc1nonc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043718781 678392006 /nfs/dbraw/zinc/39/20/06/678392006.db2.gz FYLHXZZOXWOJGU-SNVBAGLBSA-N 1 1 323.353 -1.367 20 0 DAADMO Cn1cncc1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043750621 678393547 /nfs/dbraw/zinc/39/35/47/678393547.db2.gz OCZBJVDVHIECPJ-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043773308 678394021 /nfs/dbraw/zinc/39/40/21/678394021.db2.gz NIWNWAZJYNDPDL-LLVKDONJSA-N 1 1 322.369 -1.408 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043806759 678395500 /nfs/dbraw/zinc/39/55/00/678395500.db2.gz LBMHZUODLFQGIP-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043806759 678395504 /nfs/dbraw/zinc/39/55/04/678395504.db2.gz LBMHZUODLFQGIP-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043806759 678395508 /nfs/dbraw/zinc/39/55/08/678395508.db2.gz LBMHZUODLFQGIP-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001043806526 678395554 /nfs/dbraw/zinc/39/55/54/678395554.db2.gz IRDYACCATWPWJP-JTQLQIEISA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001043807189 678396039 /nfs/dbraw/zinc/39/60/39/678396039.db2.gz QJRMSWSTKAAJDQ-NSHDSACASA-N 1 1 324.385 -1.306 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043814380 678398583 /nfs/dbraw/zinc/39/85/83/678398583.db2.gz XVVINLDUZCTPOE-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043814380 678398585 /nfs/dbraw/zinc/39/85/85/678398585.db2.gz XVVINLDUZCTPOE-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043814380 678398589 /nfs/dbraw/zinc/39/85/89/678398589.db2.gz XVVINLDUZCTPOE-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)C1CC1 ZINC001043813041 678398674 /nfs/dbraw/zinc/39/86/74/678398674.db2.gz NHLOAQPYPIYMEG-LLVKDONJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813879 678398680 /nfs/dbraw/zinc/39/86/80/678398680.db2.gz TXOJLWVPDVALSY-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813879 678398683 /nfs/dbraw/zinc/39/86/83/678398683.db2.gz TXOJLWVPDVALSY-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813879 678398685 /nfs/dbraw/zinc/39/86/85/678398685.db2.gz TXOJLWVPDVALSY-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813087 678398777 /nfs/dbraw/zinc/39/87/77/678398777.db2.gz NVMHZGMYMZAUBQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813087 678398783 /nfs/dbraw/zinc/39/87/83/678398783.db2.gz NVMHZGMYMZAUBQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813087 678398789 /nfs/dbraw/zinc/39/87/89/678398789.db2.gz NVMHZGMYMZAUBQ-ZJUUUORDSA-N 1 1 322.369 -1.695 20 0 DAADMO Cc1nc[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043822026 678399744 /nfs/dbraw/zinc/39/97/44/678399744.db2.gz BVWVOCSTYVBWBI-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001043885830 678403865 /nfs/dbraw/zinc/40/38/65/678403865.db2.gz JQMTYMTYPPBXCU-CMPLNLGQSA-N 1 1 322.413 -1.051 20 0 DAADMO Cc1ccnc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043898847 678405009 /nfs/dbraw/zinc/40/50/09/678405009.db2.gz QQJPQGMYNNQNDP-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccnc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043898847 678405012 /nfs/dbraw/zinc/40/50/12/678405012.db2.gz QQJPQGMYNNQNDP-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043912116 678405494 /nfs/dbraw/zinc/40/54/94/678405494.db2.gz KAXJRZUHLYVWRG-LLVKDONJSA-N 1 1 310.354 -1.084 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043912084 678405511 /nfs/dbraw/zinc/40/55/11/678405511.db2.gz IZZQLSAWRBPRPJ-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043910848 678405557 /nfs/dbraw/zinc/40/55/57/678405557.db2.gz WGMUPOPGFRCLOY-UHFFFAOYSA-N 1 1 319.325 -1.687 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCOC2)C1 ZINC001043908930 678405605 /nfs/dbraw/zinc/40/56/05/678405605.db2.gz BROJRQPKYQYBGB-GFCCVEGCSA-N 1 1 322.365 -1.082 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043923098 678405916 /nfs/dbraw/zinc/40/59/16/678405916.db2.gz GGKXKIMFSWQAGQ-VWYCJHECSA-N 1 1 321.337 -1.132 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001043998177 678408394 /nfs/dbraw/zinc/40/83/94/678408394.db2.gz NZXKRWUONGPOCM-JTQLQIEISA-N 1 1 320.353 -1.586 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043995660 678408556 /nfs/dbraw/zinc/40/85/56/678408556.db2.gz GMOQTTVECFCJHA-VIFPVBQESA-N 1 1 310.354 -1.779 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1C[NH+](CCCO)C1 ZINC001043996102 678408818 /nfs/dbraw/zinc/40/88/18/678408818.db2.gz NGEJLZABZMYYBI-UHFFFAOYSA-N 1 1 310.354 -1.777 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043997005 678408862 /nfs/dbraw/zinc/40/88/62/678408862.db2.gz XZTFWPZAUKPSMO-SNVBAGLBSA-N 1 1 324.381 -1.125 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001044007402 678409273 /nfs/dbraw/zinc/40/92/73/678409273.db2.gz NXJUMKBGMYSWKM-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044126479 678413481 /nfs/dbraw/zinc/41/34/81/678413481.db2.gz AFURFGJYAAUDTK-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001044148861 678414045 /nfs/dbraw/zinc/41/40/45/678414045.db2.gz NWTQSUUVQITSGP-LLVKDONJSA-N 1 1 323.397 -1.096 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001044262098 678416607 /nfs/dbraw/zinc/41/66/07/678416607.db2.gz FLGRSMQQUONRHF-QWRGUYRKSA-N 1 1 324.381 -1.951 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CNC(C)=O)C1 ZINC001044302062 678419073 /nfs/dbraw/zinc/41/90/73/678419073.db2.gz FWLDYWALYPLUMU-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001044298883 678419346 /nfs/dbraw/zinc/41/93/46/678419346.db2.gz QPSFENGVSXLFAA-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001044302707 678419422 /nfs/dbraw/zinc/41/94/22/678419422.db2.gz MSKXKSVOMJPKAL-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2cn(C)nn2)C1 ZINC001044297673 678419534 /nfs/dbraw/zinc/41/95/34/678419534.db2.gz BLVQBGFFWQQLOJ-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)C1 ZINC001044322462 678419798 /nfs/dbraw/zinc/41/97/98/678419798.db2.gz GTQPDKSQHUVUGJ-GFCCVEGCSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)C1 ZINC001044322462 678419799 /nfs/dbraw/zinc/41/97/99/678419799.db2.gz GTQPDKSQHUVUGJ-GFCCVEGCSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001044317837 678420088 /nfs/dbraw/zinc/42/00/88/678420088.db2.gz VWWPPINHQQPSJK-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@@H]3CCNC3=O)C2)C1 ZINC001044317837 678420090 /nfs/dbraw/zinc/42/00/90/678420090.db2.gz VWWPPINHQQPSJK-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)C1 ZINC001044317840 678420205 /nfs/dbraw/zinc/42/02/05/678420205.db2.gz VWWPPINHQQPSJK-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)C1 ZINC001044317840 678420208 /nfs/dbraw/zinc/42/02/08/678420208.db2.gz VWWPPINHQQPSJK-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)C1 ZINC001044322463 678420221 /nfs/dbraw/zinc/42/02/21/678420221.db2.gz GTQPDKSQHUVUGJ-LBPRGKRZSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)C1 ZINC001044322463 678420224 /nfs/dbraw/zinc/42/02/24/678420224.db2.gz GTQPDKSQHUVUGJ-LBPRGKRZSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[C@H](C[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1)OC ZINC001044334402 678420561 /nfs/dbraw/zinc/42/05/61/678420561.db2.gz KLSAIVWOKKNTMI-LLVKDONJSA-N 1 1 324.385 -1.055 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044367267 678422064 /nfs/dbraw/zinc/42/20/64/678422064.db2.gz YSFDIEAHIZSTAG-JTQLQIEISA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044373371 678422542 /nfs/dbraw/zinc/42/25/42/678422542.db2.gz GYIYLTDTGDIXTN-TUAOUCFPSA-N 1 1 319.365 -1.105 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044443630 678426772 /nfs/dbraw/zinc/42/67/72/678426772.db2.gz NUCOBOMLZIOIOJ-GHMZBOCLSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001044451802 678427651 /nfs/dbraw/zinc/42/76/51/678427651.db2.gz KRJARNZDIQJIFA-QWRGUYRKSA-N 1 1 324.381 -2.236 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1nccn1 ZINC001044614740 678431009 /nfs/dbraw/zinc/43/10/09/678431009.db2.gz GHOMGGIRLJTKNE-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC001044700565 678432021 /nfs/dbraw/zinc/43/20/21/678432021.db2.gz ARWMNJXVHOGJKC-IUCAKERBSA-N 1 1 320.361 -1.484 20 0 DAADMO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)CC1 ZINC001044782223 678436617 /nfs/dbraw/zinc/43/66/17/678436617.db2.gz LWZFDYNMSYZRPW-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CC1 ZINC001044782223 678436618 /nfs/dbraw/zinc/43/66/18/678436618.db2.gz LWZFDYNMSYZRPW-UHFFFAOYSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044789634 678437692 /nfs/dbraw/zinc/43/76/92/678437692.db2.gz PCYXXAINDFPPDO-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1)C1CCC1 ZINC001044790604 678438175 /nfs/dbraw/zinc/43/81/75/678438175.db2.gz XCLYRTIHLGWSEY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)C1CCC1 ZINC001044790604 678438179 /nfs/dbraw/zinc/43/81/79/678438179.db2.gz XCLYRTIHLGWSEY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1)C1CCC1 ZINC001044790604 678438184 /nfs/dbraw/zinc/43/81/84/678438184.db2.gz XCLYRTIHLGWSEY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+](CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001044790604 678438192 /nfs/dbraw/zinc/43/81/92/678438192.db2.gz XCLYRTIHLGWSEY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1)C1CCC1 ZINC001044790604 678438195 /nfs/dbraw/zinc/43/81/95/678438195.db2.gz XCLYRTIHLGWSEY-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001044937024 678442231 /nfs/dbraw/zinc/44/22/31/678442231.db2.gz UUGRGBMDBPVBSF-QWRGUYRKSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CN=NC2=O)nn1 ZINC001045003811 678443163 /nfs/dbraw/zinc/44/31/63/678443163.db2.gz QQPSEVIQGMQSLM-NSHDSACASA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCn1ccnn1 ZINC001045012428 678443909 /nfs/dbraw/zinc/44/39/09/678443909.db2.gz RIPAFPBRRFCLGJ-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001045018302 678444406 /nfs/dbraw/zinc/44/44/06/678444406.db2.gz WNLJOKGEFNRUGC-NDBYEHHHSA-N 1 1 323.393 -1.480 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1ncnn1)c1nnnn1C ZINC001045040509 678444934 /nfs/dbraw/zinc/44/49/34/678444934.db2.gz JBXFCSSNFZEXDY-ZJUUUORDSA-N 1 1 320.361 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cn1nccn1 ZINC001045052843 678445383 /nfs/dbraw/zinc/44/53/83/678445383.db2.gz WBPNQTYIGDQUBJ-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001045065568 678445406 /nfs/dbraw/zinc/44/54/06/678445406.db2.gz ZUYVMZKDOVBWOL-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045073334 678445452 /nfs/dbraw/zinc/44/54/52/678445452.db2.gz COQWBAWFCUSFNY-UWVGGRQHSA-N 1 1 322.325 -1.252 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cnon2)c1=O ZINC001045098153 678445717 /nfs/dbraw/zinc/44/57/17/678445717.db2.gz XJANSJNNSXWRAC-NSHDSACASA-N 1 1 321.341 -1.254 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001045156495 678446955 /nfs/dbraw/zinc/44/69/55/678446955.db2.gz BQWKLJPZQOFUSD-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001045149873 678446991 /nfs/dbraw/zinc/44/69/91/678446991.db2.gz XBTYIICSMWOBLE-RYUDHWBXSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001045150090 678447113 /nfs/dbraw/zinc/44/71/13/678447113.db2.gz BPTQQBGDKGEVJI-UWVGGRQHSA-N 1 1 307.358 -1.573 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)NC1=O ZINC001045150054 678447188 /nfs/dbraw/zinc/44/71/88/678447188.db2.gz AQSCBAGSYMVXKB-UWVGGRQHSA-N 1 1 322.373 -1.686 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001045157285 678447661 /nfs/dbraw/zinc/44/76/61/678447661.db2.gz OCWHMVMJVAYTQO-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001045172725 678448411 /nfs/dbraw/zinc/44/84/11/678448411.db2.gz BONYWGCTPJQCRO-VIFPVBQESA-N 1 1 318.341 -1.312 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045192985 678449823 /nfs/dbraw/zinc/44/98/23/678449823.db2.gz MALNULVCDJMUIF-VHSXEESVSA-N 1 1 323.353 -1.430 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045193332 678450147 /nfs/dbraw/zinc/45/01/47/678450147.db2.gz ZXMJFFFHTHNLAZ-SNVBAGLBSA-N 1 1 323.353 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045196996 678450414 /nfs/dbraw/zinc/45/04/14/678450414.db2.gz JOFJQOFIDMTHFY-NSHDSACASA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045242268 678451992 /nfs/dbraw/zinc/45/19/92/678451992.db2.gz IBYRPYKTEOJCST-JTQLQIEISA-N 1 1 322.325 -1.298 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001045268700 678453249 /nfs/dbraw/zinc/45/32/49/678453249.db2.gz BZEVMFQICXLWMD-VIFPVBQESA-N 1 1 305.346 -1.349 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001045279454 678453457 /nfs/dbraw/zinc/45/34/57/678453457.db2.gz OTSZZXHHMNHYMM-UWVGGRQHSA-N 1 1 307.358 -1.431 20 0 DAADMO COCCn1cc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)nn1 ZINC001045434627 678456245 /nfs/dbraw/zinc/45/62/45/678456245.db2.gz ZLNQNRLVTPOESM-UHFFFAOYSA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001045490936 678459482 /nfs/dbraw/zinc/45/94/82/678459482.db2.gz WCPDEBRRCMKSOX-JTQLQIEISA-N 1 1 324.381 -1.964 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001045493080 678459489 /nfs/dbraw/zinc/45/94/89/678459489.db2.gz BPLKVXKKPFAZOL-JTQLQIEISA-N 1 1 324.381 -2.107 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509879 678462708 /nfs/dbraw/zinc/46/27/08/678462708.db2.gz UGQJLQGXFKTUKA-JTQLQIEISA-N 1 1 312.370 -1.966 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001045509231 678462750 /nfs/dbraw/zinc/46/27/50/678462750.db2.gz HVHADNWJNRANLJ-VIFPVBQESA-N 1 1 321.337 -2.065 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001045517976 678463902 /nfs/dbraw/zinc/46/39/02/678463902.db2.gz LYLPHSNJNPCDRQ-WDEREUQCSA-N 1 1 324.381 -1.822 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001045517974 678463948 /nfs/dbraw/zinc/46/39/48/678463948.db2.gz LYLPHSNJNPCDRQ-MNOVXSKESA-N 1 1 324.381 -1.822 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045517542 678463982 /nfs/dbraw/zinc/46/39/82/678463982.db2.gz GNXABDBAJVNZGX-QMMMGPOBSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045517542 678463986 /nfs/dbraw/zinc/46/39/86/678463986.db2.gz GNXABDBAJVNZGX-QMMMGPOBSA-N 1 1 300.315 -3.508 20 0 DAADMO Cn1nnc(C(=O)NC2(C)CC[NH+]([C@@H]3CCNC3=O)CC2)n1 ZINC001045526328 678465139 /nfs/dbraw/zinc/46/51/39/678465139.db2.gz BDQJMHYKOLLIQJ-SECBINFHSA-N 1 1 307.358 -1.317 20 0 DAADMO CC1(NC(=O)[C@@H]2CNC(=O)N2)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045542912 678466084 /nfs/dbraw/zinc/46/60/84/678466084.db2.gz YGNVJBHFIMNUDM-NSHDSACASA-N 1 1 323.397 -1.083 20 0 DAADMO Cn1cc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001045638947 678468506 /nfs/dbraw/zinc/46/85/06/678468506.db2.gz SJCWBYFPNGGSHK-UHFFFAOYSA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1nc(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)ccc1=O ZINC001045635457 678468576 /nfs/dbraw/zinc/46/85/76/678468576.db2.gz FUQZXSLRGQYOGV-UHFFFAOYSA-N 1 1 307.354 -1.150 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]nn2)C1 ZINC001045713340 678469714 /nfs/dbraw/zinc/46/97/14/678469714.db2.gz CNOUUPLTSFCUSA-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2cnn[nH]2)C1 ZINC001045713340 678469716 /nfs/dbraw/zinc/46/97/16/678469716.db2.gz CNOUUPLTSFCUSA-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CN2CCCC2)C1 ZINC001045713581 678469903 /nfs/dbraw/zinc/46/99/03/678469903.db2.gz KNJPBACXPAIVSU-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ncn[nH]2)C1 ZINC001045717303 678470049 /nfs/dbraw/zinc/47/00/49/678470049.db2.gz ZBPNQARPFUYXGN-UHFFFAOYSA-N 1 1 310.358 -2.012 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001045738020 678470591 /nfs/dbraw/zinc/47/05/91/678470591.db2.gz ATOQBWWMTJRRGZ-VWYCJHECSA-N 1 1 322.365 -1.268 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045796496 678471170 /nfs/dbraw/zinc/47/11/70/678471170.db2.gz VTRCSKBVGDDOPL-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045826819 678471177 /nfs/dbraw/zinc/47/11/77/678471177.db2.gz XMNRLKQXCVHSST-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)c(=O)n1C ZINC001045884581 678471472 /nfs/dbraw/zinc/47/14/72/678471472.db2.gz IRYMMWLGHCODNX-OLZOCXBDSA-N 1 1 323.397 -1.052 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)n1 ZINC001045831902 678471528 /nfs/dbraw/zinc/47/15/28/678471528.db2.gz VACAFGLXZYJADA-VWYCJHECSA-N 1 1 319.369 -1.223 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)ccc1=O ZINC001045886732 678471547 /nfs/dbraw/zinc/47/15/47/678471547.db2.gz AIQPRQCDPPKMNG-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)ccc1=O ZINC001045886732 678471548 /nfs/dbraw/zinc/47/15/48/678471548.db2.gz AIQPRQCDPPKMNG-MNOVXSKESA-N 1 1 319.365 -1.056 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045888008 678471676 /nfs/dbraw/zinc/47/16/76/678471676.db2.gz RWIVOTMWCQWCAN-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046002211 678471938 /nfs/dbraw/zinc/47/19/38/678471938.db2.gz SMSJEUGSZIZJHZ-ZDUSSCGKSA-N 1 1 323.401 -1.462 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001045961997 678472144 /nfs/dbraw/zinc/47/21/44/678472144.db2.gz DLQTUEOBYMJBPY-XHDPSFHLSA-N 1 1 323.397 -1.142 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)cn1 ZINC001046002075 678472245 /nfs/dbraw/zinc/47/22/45/678472245.db2.gz RFHZDGVDQOBVDC-CYBMUJFWSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)cn1 ZINC001046002075 678472247 /nfs/dbraw/zinc/47/22/47/678472247.db2.gz RFHZDGVDQOBVDC-CYBMUJFWSA-N 1 1 320.397 -1.263 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001045989881 678472266 /nfs/dbraw/zinc/47/22/66/678472266.db2.gz PBVAPGACEJPSIB-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046007880 678472329 /nfs/dbraw/zinc/47/23/29/678472329.db2.gz FZBBNASCECLKRT-GFCCVEGCSA-N 1 1 319.427 -1.758 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046007880 678472331 /nfs/dbraw/zinc/47/23/31/678472331.db2.gz FZBBNASCECLKRT-GFCCVEGCSA-N 1 1 319.427 -1.758 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001045961996 678472369 /nfs/dbraw/zinc/47/23/69/678472369.db2.gz DLQTUEOBYMJBPY-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cnnn1)C2 ZINC001045912491 678472420 /nfs/dbraw/zinc/47/24/20/678472420.db2.gz FURGYBSKKPVTOH-CQSZACIVSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(CN1CCCC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046001022 678472458 /nfs/dbraw/zinc/47/24/58/678472458.db2.gz CHOXZFRHWHFYKR-CQSZACIVSA-N 1 1 324.425 -1.180 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)cn1 ZINC001046002078 678472469 /nfs/dbraw/zinc/47/24/69/678472469.db2.gz RFHZDGVDQOBVDC-ZDUSSCGKSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)cn1 ZINC001046002078 678472475 /nfs/dbraw/zinc/47/24/75/678472475.db2.gz RFHZDGVDQOBVDC-ZDUSSCGKSA-N 1 1 320.397 -1.263 20 0 DAADMO Nc1nccnc1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046013832 678472808 /nfs/dbraw/zinc/47/28/08/678472808.db2.gz LCQLZCOBDBRUHM-LBPRGKRZSA-N 1 1 320.397 -1.117 20 0 DAADMO NC(=O)CC(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046017979 678472958 /nfs/dbraw/zinc/47/29/58/678472958.db2.gz SLKAHUVYIOHARX-RYUDHWBXSA-N 1 1 323.397 -2.031 20 0 DAADMO Cc1c(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)nnn1C ZINC001046015233 678472993 /nfs/dbraw/zinc/47/29/93/678472993.db2.gz MQRVPKIMYYNTLN-CYBMUJFWSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046012273 678473044 /nfs/dbraw/zinc/47/30/44/678473044.db2.gz MUTMMMPHSSXMEO-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001046009901 678473077 /nfs/dbraw/zinc/47/30/77/678473077.db2.gz FTROADXHNBTZAZ-ZIAGYGMSSA-N 1 1 323.441 -1.216 20 0 DAADMO Nc1nccnc1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046013831 678473119 /nfs/dbraw/zinc/47/31/19/678473119.db2.gz LCQLZCOBDBRUHM-GFCCVEGCSA-N 1 1 320.397 -1.117 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001046009030 678473253 /nfs/dbraw/zinc/47/32/53/678473253.db2.gz KITWNCXLRASPGT-LBPRGKRZSA-N 1 1 320.397 -1.012 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001046009030 678473260 /nfs/dbraw/zinc/47/32/60/678473260.db2.gz KITWNCXLRASPGT-LBPRGKRZSA-N 1 1 320.397 -1.012 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001046009030 678473262 /nfs/dbraw/zinc/47/32/62/678473262.db2.gz KITWNCXLRASPGT-LBPRGKRZSA-N 1 1 320.397 -1.012 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046008758 678473318 /nfs/dbraw/zinc/47/33/18/678473318.db2.gz ZKCJXGLBKQEDLN-ZDUSSCGKSA-N 1 1 320.397 -1.012 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)c1N ZINC001046021785 678473346 /nfs/dbraw/zinc/47/33/46/678473346.db2.gz FRTLDDDVLWQDFQ-LBPRGKRZSA-N 1 1 322.413 -1.173 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046035963 678473718 /nfs/dbraw/zinc/47/37/18/678473718.db2.gz XLPBSFJLIGSVOK-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030589 678473776 /nfs/dbraw/zinc/47/37/76/678473776.db2.gz VTGWEDMWGYRSPQ-NSHDSACASA-N 1 1 322.373 -2.623 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030589 678473783 /nfs/dbraw/zinc/47/37/83/678473783.db2.gz VTGWEDMWGYRSPQ-NSHDSACASA-N 1 1 322.373 -2.623 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046026550 678473925 /nfs/dbraw/zinc/47/39/25/678473925.db2.gz ZJZJSGVTPJFXER-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1cnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046026550 678473928 /nfs/dbraw/zinc/47/39/28/678473928.db2.gz ZJZJSGVTPJFXER-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046030648 678474154 /nfs/dbraw/zinc/47/41/54/678474154.db2.gz WZGGMHAAHASEGU-GFCCVEGCSA-N 1 1 311.365 -1.139 20 0 DAADMO Cc1nnc(CC(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)[nH]1 ZINC001046026914 678474194 /nfs/dbraw/zinc/47/41/94/678474194.db2.gz HEHTUDHHPNRGBH-ZDUSSCGKSA-N 1 1 322.413 -1.134 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046036670 678474206 /nfs/dbraw/zinc/47/42/06/678474206.db2.gz DGIFQGAUZJLXCF-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046050808 678474565 /nfs/dbraw/zinc/47/45/65/678474565.db2.gz QGABOKPDJWWFEW-LLVKDONJSA-N 1 1 321.385 -1.569 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046050808 678474567 /nfs/dbraw/zinc/47/45/67/678474567.db2.gz QGABOKPDJWWFEW-LLVKDONJSA-N 1 1 321.385 -1.569 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046043183 678474644 /nfs/dbraw/zinc/47/46/44/678474644.db2.gz XTYAJJZTTGDCON-JTQLQIEISA-N 1 1 307.358 -1.878 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046043183 678474649 /nfs/dbraw/zinc/47/46/49/678474649.db2.gz XTYAJJZTTGDCON-JTQLQIEISA-N 1 1 307.358 -1.878 20 0 DAADMO Cn1c(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)c[nH]c1=O ZINC001046051402 678474993 /nfs/dbraw/zinc/47/49/93/678474993.db2.gz GCXSBYOOZFKULK-LBPRGKRZSA-N 1 1 323.397 -1.050 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049602 678475128 /nfs/dbraw/zinc/47/51/28/678475128.db2.gz SMAZQYZUOBCLPM-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049602 678475130 /nfs/dbraw/zinc/47/51/30/678475130.db2.gz SMAZQYZUOBCLPM-NWDGAFQWSA-N 1 1 323.397 -2.174 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)n1 ZINC001046056045 678475389 /nfs/dbraw/zinc/47/53/89/678475389.db2.gz UJWRFFVLGUNDSM-GFCCVEGCSA-N 1 1 323.401 -1.575 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057669 678475458 /nfs/dbraw/zinc/47/54/58/678475458.db2.gz SXUONOGDJHQUIF-ZDUSSCGKSA-N 1 1 320.397 -1.376 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046056737 678475494 /nfs/dbraw/zinc/47/54/94/678475494.db2.gz IBIUFNKYUFLPCV-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056968 678475517 /nfs/dbraw/zinc/47/55/17/678475517.db2.gz JASAERPTYZNRCS-LLVKDONJSA-N 1 1 311.386 -2.222 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056208 678475591 /nfs/dbraw/zinc/47/55/91/678475591.db2.gz BQSRHFGXGATGHO-LLVKDONJSA-N 1 1 321.385 -1.981 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056208 678475594 /nfs/dbraw/zinc/47/55/94/678475594.db2.gz BQSRHFGXGATGHO-LLVKDONJSA-N 1 1 321.385 -1.981 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056762 678475698 /nfs/dbraw/zinc/47/56/98/678475698.db2.gz IJLUKUSHKOZMRD-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046057391 678475748 /nfs/dbraw/zinc/47/57/48/678475748.db2.gz NLWQWNXTAMEUGL-ZDUSSCGKSA-N 1 1 320.397 -1.376 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046057391 678475752 /nfs/dbraw/zinc/47/57/52/678475752.db2.gz NLWQWNXTAMEUGL-ZDUSSCGKSA-N 1 1 320.397 -1.376 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)n1 ZINC001046056049 678475950 /nfs/dbraw/zinc/47/59/50/678475950.db2.gz UJWRFFVLGUNDSM-LBPRGKRZSA-N 1 1 323.401 -1.575 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046058715 678476511 /nfs/dbraw/zinc/47/65/11/678476511.db2.gz RPGPRGCQGVOKEO-NEPJUHHUSA-N 1 1 311.386 -2.121 20 0 DAADMO NC(=O)C1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001046058758 678476594 /nfs/dbraw/zinc/47/65/94/678476594.db2.gz SHWSRSSUSNJGRJ-LBPRGKRZSA-N 1 1 310.398 -1.537 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001046058495 678476598 /nfs/dbraw/zinc/47/65/98/678476598.db2.gz LNSGCVVSTAVMQP-QWHCGFSZSA-N 1 1 324.425 -1.149 20 0 DAADMO NC(=O)C1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)CC1 ZINC001046058449 678476748 /nfs/dbraw/zinc/47/67/48/678476748.db2.gz KIKGCDMEJSHMMC-CYBMUJFWSA-N 1 1 324.425 -1.147 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046066360 678476955 /nfs/dbraw/zinc/47/69/55/678476955.db2.gz KHDZPHKTJCISKD-ZDUSSCGKSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001046066360 678476958 /nfs/dbraw/zinc/47/69/58/678476958.db2.gz KHDZPHKTJCISKD-ZDUSSCGKSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C(Cn1cncn1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046083458 678477043 /nfs/dbraw/zinc/47/70/43/678477043.db2.gz QVWCTRAIZKTZIH-CQSZACIVSA-N 1 1 322.413 -1.121 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 ZINC001046066542 678477057 /nfs/dbraw/zinc/47/70/57/678477057.db2.gz GCRZIUQICROMMW-CYBMUJFWSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 ZINC001046066542 678477059 /nfs/dbraw/zinc/47/70/59/678477059.db2.gz GCRZIUQICROMMW-CYBMUJFWSA-N 1 1 318.381 -1.206 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046069236 678477085 /nfs/dbraw/zinc/47/70/85/678477085.db2.gz DSLAMTYJNQAZBC-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046069813 678477643 /nfs/dbraw/zinc/47/76/43/678477643.db2.gz LEFPLZJQMPKNOH-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046069813 678477645 /nfs/dbraw/zinc/47/76/45/678477645.db2.gz LEFPLZJQMPKNOH-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081033 678477651 /nfs/dbraw/zinc/47/76/51/678477651.db2.gz DPJYDVRQMONZRN-KBPBESRZSA-N 1 1 322.413 -1.123 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046077014 678477779 /nfs/dbraw/zinc/47/77/79/678477779.db2.gz QQYMVLDNRBJYFY-STQMWFEESA-N 1 1 310.398 -1.524 20 0 DAADMO Cn1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046084281 678477955 /nfs/dbraw/zinc/47/79/55/678477955.db2.gz OVSZQKAPUDYNKS-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1ccc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046084281 678477957 /nfs/dbraw/zinc/47/79/57/678477957.db2.gz OVSZQKAPUDYNKS-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217396 678479313 /nfs/dbraw/zinc/47/93/13/678479313.db2.gz GAYZLMVOPLTHHK-DOMZBBRYSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217396 678479316 /nfs/dbraw/zinc/47/93/16/678479316.db2.gz GAYZLMVOPLTHHK-DOMZBBRYSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217402 678479479 /nfs/dbraw/zinc/47/94/79/678479479.db2.gz GAYZLMVOPLTHHK-WFASDCNBSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217402 678479483 /nfs/dbraw/zinc/47/94/83/678479483.db2.gz GAYZLMVOPLTHHK-WFASDCNBSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046247756 678480026 /nfs/dbraw/zinc/48/00/26/678480026.db2.gz INRLKEZJOHCGJX-SWLSCSKDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046247756 678480031 /nfs/dbraw/zinc/48/00/31/678480031.db2.gz INRLKEZJOHCGJX-SWLSCSKDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046247755 678480093 /nfs/dbraw/zinc/48/00/93/678480093.db2.gz INRLKEZJOHCGJX-IUODEOHRSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046247755 678480096 /nfs/dbraw/zinc/48/00/96/678480096.db2.gz INRLKEZJOHCGJX-IUODEOHRSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046289534 678480580 /nfs/dbraw/zinc/48/05/80/678480580.db2.gz XIFVECBMMKOJME-YGRLFVJLSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046289534 678480582 /nfs/dbraw/zinc/48/05/82/678480582.db2.gz XIFVECBMMKOJME-YGRLFVJLSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296497 678481149 /nfs/dbraw/zinc/48/11/49/678481149.db2.gz NKUQJZWWCWVDSP-XPTSAGLGSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296497 678481150 /nfs/dbraw/zinc/48/11/50/678481150.db2.gz NKUQJZWWCWVDSP-XPTSAGLGSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389827 678482115 /nfs/dbraw/zinc/48/21/15/678482115.db2.gz QSKWWXMAETZIAO-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389827 678482117 /nfs/dbraw/zinc/48/21/17/678482117.db2.gz QSKWWXMAETZIAO-LKFCYVNXSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@H+](CC(N)=O)C1 ZINC001046432638 678482349 /nfs/dbraw/zinc/48/23/49/678482349.db2.gz UHPNNPWLIPDPAU-LKFCYVNXSA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046432638 678482350 /nfs/dbraw/zinc/48/23/50/678482350.db2.gz UHPNNPWLIPDPAU-LKFCYVNXSA-N 1 1 322.369 -1.388 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000900807166 678482717 /nfs/dbraw/zinc/48/27/17/678482717.db2.gz BETMSJOTWGDRPE-YLGBZRSBSA-N 1 1 317.455 -1.036 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000900807166 678482720 /nfs/dbraw/zinc/48/27/20/678482720.db2.gz BETMSJOTWGDRPE-YLGBZRSBSA-N 1 1 317.455 -1.036 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900836668 678483588 /nfs/dbraw/zinc/48/35/88/678483588.db2.gz RDVZLVVUUOEUQO-UHFFFAOYSA-N 1 1 307.416 -1.038 20 0 DAADMO CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046502778 678483669 /nfs/dbraw/zinc/48/36/69/678483669.db2.gz NFAMGYQGDXGZGB-GXFFZTMASA-N 1 1 317.411 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cnn(C)n2)C1 ZINC001046525543 678484529 /nfs/dbraw/zinc/48/45/29/678484529.db2.gz NMAIXTNYFHIOJM-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001046531854 678484544 /nfs/dbraw/zinc/48/45/44/678484544.db2.gz VLKPTSKJZAIWFD-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542664 678484916 /nfs/dbraw/zinc/48/49/16/678484916.db2.gz KVRVORZTGCIFCL-ABAIWWIYSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)NC1=O ZINC001046542664 678484920 /nfs/dbraw/zinc/48/49/20/678484920.db2.gz KVRVORZTGCIFCL-ABAIWWIYSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046541494 678485027 /nfs/dbraw/zinc/48/50/27/678485027.db2.gz FKVPYTDOLDRWHB-IINYFYTJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046541494 678485028 /nfs/dbraw/zinc/48/50/28/678485028.db2.gz FKVPYTDOLDRWHB-IINYFYTJSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542469 678485047 /nfs/dbraw/zinc/48/50/47/678485047.db2.gz JZIJFGPZVLMJPU-ABAIWWIYSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542469 678485049 /nfs/dbraw/zinc/48/50/49/678485049.db2.gz JZIJFGPZVLMJPU-ABAIWWIYSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001046544238 678485057 /nfs/dbraw/zinc/48/50/57/678485057.db2.gz VIXDMHPXWRPWQE-FZMZJTMJSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001046548627 678485680 /nfs/dbraw/zinc/48/56/80/678485680.db2.gz RVROAGQGSGJRGY-LBPRGKRZSA-N 1 1 305.346 -1.304 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584430 678486258 /nfs/dbraw/zinc/48/62/58/678486258.db2.gz AYAMAAUILZEDFK-IAQYHMDHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584430 678486262 /nfs/dbraw/zinc/48/62/62/678486262.db2.gz AYAMAAUILZEDFK-IAQYHMDHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584432 678486270 /nfs/dbraw/zinc/48/62/70/678486270.db2.gz AYAMAAUILZEDFK-NHYWBVRUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584432 678486274 /nfs/dbraw/zinc/48/62/74/678486274.db2.gz AYAMAAUILZEDFK-NHYWBVRUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001046580342 678486404 /nfs/dbraw/zinc/48/64/04/678486404.db2.gz SUYXYCUBXFMUHV-YGRLFVJLSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001046580342 678486406 /nfs/dbraw/zinc/48/64/06/678486406.db2.gz SUYXYCUBXFMUHV-YGRLFVJLSA-N 1 1 305.338 -1.147 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046588110 678486789 /nfs/dbraw/zinc/48/67/89/678486789.db2.gz OJIYXVLSYNHOQJ-HZMBPMFUSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046588110 678486792 /nfs/dbraw/zinc/48/67/92/678486792.db2.gz OJIYXVLSYNHOQJ-HZMBPMFUSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046589248 678486798 /nfs/dbraw/zinc/48/67/98/678486798.db2.gz UIIBHOPTOXPNGD-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046589248 678486801 /nfs/dbraw/zinc/48/68/01/678486801.db2.gz UIIBHOPTOXPNGD-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](CCn2cncn2)C1 ZINC001046622396 678487733 /nfs/dbraw/zinc/48/77/33/678487733.db2.gz YOCCBVOHNLOXSX-UHIISALHSA-N 1 1 306.370 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046617297 678487847 /nfs/dbraw/zinc/48/78/47/678487847.db2.gz SODMYGBMQOPVSI-RBZYPMLTSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001046617297 678487849 /nfs/dbraw/zinc/48/78/49/678487849.db2.gz SODMYGBMQOPVSI-RBZYPMLTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2cnn[n-]2)C1 ZINC001046672415 678488044 /nfs/dbraw/zinc/48/80/44/678488044.db2.gz VBRYZHUHQZECFQ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046672415 678488047 /nfs/dbraw/zinc/48/80/47/678488047.db2.gz VBRYZHUHQZECFQ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046672415 678488051 /nfs/dbraw/zinc/48/80/51/678488051.db2.gz VBRYZHUHQZECFQ-JTQLQIEISA-N 1 1 322.369 -1.408 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001046683570 678488309 /nfs/dbraw/zinc/48/83/09/678488309.db2.gz CJWWDPBMPOXIQS-VHSXEESVSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3ncn[n-]3)C2)C1 ZINC001046677335 678488349 /nfs/dbraw/zinc/48/83/49/678488349.db2.gz SKSNSFHOMOFTPA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001046677335 678488350 /nfs/dbraw/zinc/48/83/50/678488350.db2.gz SKSNSFHOMOFTPA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001046677335 678488353 /nfs/dbraw/zinc/48/83/53/678488353.db2.gz SKSNSFHOMOFTPA-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670074 678488406 /nfs/dbraw/zinc/48/84/06/678488406.db2.gz KHLXOSGKVKCAEJ-BMIGLBTASA-N 1 1 324.381 -1.341 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685453 678488601 /nfs/dbraw/zinc/48/86/01/678488601.db2.gz TUFNCCDCXINUMJ-VXGBXAGGSA-N 1 1 313.398 -1.090 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001046689114 678488615 /nfs/dbraw/zinc/48/86/15/678488615.db2.gz HKQIPRUSVVLIQD-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001046689113 678488858 /nfs/dbraw/zinc/48/88/58/678488858.db2.gz HKQIPRUSVVLIQD-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001046685399 678488916 /nfs/dbraw/zinc/48/89/16/678488916.db2.gz SLMPWLUKAYZLGK-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685399 678488918 /nfs/dbraw/zinc/48/89/18/678488918.db2.gz SLMPWLUKAYZLGK-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685399 678488919 /nfs/dbraw/zinc/48/89/19/678488919.db2.gz SLMPWLUKAYZLGK-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001046685449 678488937 /nfs/dbraw/zinc/48/89/37/678488937.db2.gz TUFNCCDCXINUMJ-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CCCO)C1 ZINC001046698002 678488992 /nfs/dbraw/zinc/48/89/92/678488992.db2.gz YOFXRWGHZSLCMB-CUMGRINNSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046694458 678489017 /nfs/dbraw/zinc/48/90/17/678489017.db2.gz AYPDCGNDQFDFOW-AWEZNQCLSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046694458 678489019 /nfs/dbraw/zinc/48/90/19/678489019.db2.gz AYPDCGNDQFDFOW-AWEZNQCLSA-N 1 1 310.354 -1.634 20 0 DAADMO C[C@]1(NC(=O)c2nnc[nH]2)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001046711216 678489538 /nfs/dbraw/zinc/48/95/38/678489538.db2.gz GCKQTEKNUFTJCH-ZDUSSCGKSA-N 1 1 321.341 -1.449 20 0 DAADMO CCn1nc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001046706682 678489648 /nfs/dbraw/zinc/48/96/48/678489648.db2.gz LSSRXJGJUUZBFH-AWEZNQCLSA-N 1 1 307.354 -1.057 20 0 DAADMO CCn1nc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001046706682 678489650 /nfs/dbraw/zinc/48/96/50/678489650.db2.gz LSSRXJGJUUZBFH-AWEZNQCLSA-N 1 1 307.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001046725841 678490444 /nfs/dbraw/zinc/49/04/44/678490444.db2.gz QNSSKZYUEGOLJK-MXWKQRLJSA-N 1 1 324.381 -2.251 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046779697 678490890 /nfs/dbraw/zinc/49/08/90/678490890.db2.gz XQHDWAFRALRRGZ-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046779696 678491028 /nfs/dbraw/zinc/49/10/28/678491028.db2.gz XQHDWAFRALRRGZ-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@@H+](CCO)C1 ZINC001046768683 678491105 /nfs/dbraw/zinc/49/11/05/678491105.db2.gz CTEWZXHEHDBINK-ZDUSSCGKSA-N 1 1 306.326 -1.396 20 0 DAADMO C[C@@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@@H+](CCCO)C1 ZINC001046768645 678491370 /nfs/dbraw/zinc/49/13/70/678491370.db2.gz CBMQROMAJNMVAQ-CQSZACIVSA-N 1 1 320.353 -1.006 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046844565 678492300 /nfs/dbraw/zinc/49/23/00/678492300.db2.gz QOOKLPLKSNLCNF-GZMMTYOYSA-N 1 1 304.372 -2.256 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000901085745 678491997 /nfs/dbraw/zinc/49/19/97/678491997.db2.gz YFHKSVBUTHGJQV-LLVKDONJSA-N 1 1 307.354 -1.074 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046844565 678492301 /nfs/dbraw/zinc/49/23/01/678492301.db2.gz QOOKLPLKSNLCNF-GZMMTYOYSA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828303 678492276 /nfs/dbraw/zinc/49/22/76/678492276.db2.gz DTTNWXOQVIPKCJ-CLAHSXSESA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001046828303 678492278 /nfs/dbraw/zinc/49/22/78/678492278.db2.gz DTTNWXOQVIPKCJ-CLAHSXSESA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823175 678492291 /nfs/dbraw/zinc/49/22/91/678492291.db2.gz ZHRUHMODABZEDF-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823175 678492293 /nfs/dbraw/zinc/49/22/93/678492293.db2.gz ZHRUHMODABZEDF-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046844567 678492495 /nfs/dbraw/zinc/49/24/95/678492495.db2.gz QOOKLPLKSNLCNF-KWQFWETISA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046844567 678492497 /nfs/dbraw/zinc/49/24/97/678492497.db2.gz QOOKLPLKSNLCNF-KWQFWETISA-N 1 1 304.372 -2.256 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859192 678493310 /nfs/dbraw/zinc/49/33/10/678493310.db2.gz LPNMDHHWTPBTMV-BONVTDFDSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859192 678493314 /nfs/dbraw/zinc/49/33/14/678493314.db2.gz LPNMDHHWTPBTMV-BONVTDFDSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859191 678493444 /nfs/dbraw/zinc/49/34/44/678493444.db2.gz LPNMDHHWTPBTMV-BMIGLBTASA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001046859191 678493446 /nfs/dbraw/zinc/49/34/46/678493446.db2.gz LPNMDHHWTPBTMV-BMIGLBTASA-N 1 1 321.381 -1.194 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046855162 678493463 /nfs/dbraw/zinc/49/34/63/678493463.db2.gz YTEDJGRVGSWNSF-QMTHXVAHSA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001046870663 678494189 /nfs/dbraw/zinc/49/41/89/678494189.db2.gz BEYRVCFFSOJBGG-LLVKDONJSA-N 1 1 322.369 -2.081 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046871092 678494261 /nfs/dbraw/zinc/49/42/61/678494261.db2.gz NEAZLUUJSPUOQK-UHFFFAOYSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[C@@H](C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001046905166 678496587 /nfs/dbraw/zinc/49/65/87/678496587.db2.gz PIZSYSRBEURKHU-JTQLQIEISA-N 1 1 324.385 -1.623 20 0 DAADMO CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001046997644 678498447 /nfs/dbraw/zinc/49/84/47/678498447.db2.gz BRKPJKLQSUPENY-AVGNSLFASA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)n1 ZINC001047072125 678498891 /nfs/dbraw/zinc/49/88/91/678498891.db2.gz IGEMSNVWGSFKKE-AXFHLTTASA-N 1 1 322.369 -1.662 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)c1=O ZINC001047096613 678499362 /nfs/dbraw/zinc/49/93/62/678499362.db2.gz CUAAWSSLZBMZDV-XQQFMLRXSA-N 1 1 323.397 -1.067 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047125226 678499817 /nfs/dbraw/zinc/49/98/17/678499817.db2.gz BBJXGLQNTINHMW-XQQFMLRXSA-N 1 1 310.398 -1.620 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccnnc3)C2)C1 ZINC001047131639 678499900 /nfs/dbraw/zinc/49/99/00/678499900.db2.gz VOPIIUSAWWWFNV-GFCCVEGCSA-N 1 1 319.365 -1.269 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCOCC1)C2 ZINC001047134588 678500001 /nfs/dbraw/zinc/50/00/01/678500001.db2.gz DICONDXPMBTVEF-SRVKXCTJSA-N 1 1 324.381 -1.700 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047170891 678501207 /nfs/dbraw/zinc/50/12/07/678501207.db2.gz BBWDOKNWKHWSNQ-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001047172679 678501882 /nfs/dbraw/zinc/50/18/82/678501882.db2.gz WJFBJSAGBVDYIB-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047277799 678502367 /nfs/dbraw/zinc/50/23/67/678502367.db2.gz BBDOVKNRUSOJJW-RYUDHWBXSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047197380 678502549 /nfs/dbraw/zinc/50/25/49/678502549.db2.gz GQUXVFSLMYWYIS-SRVKXCTJSA-N 1 1 324.381 -1.110 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)n(C)c1=O ZINC001047207490 678502595 /nfs/dbraw/zinc/50/25/95/678502595.db2.gz YHACAJLUYCWYIR-DCAQKATOSA-N 1 1 321.381 -1.208 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)ccc1=O ZINC001047193037 678502634 /nfs/dbraw/zinc/50/26/34/678502634.db2.gz AAPHUPPKBUNTBA-AXFHLTTASA-N 1 1 319.365 -1.152 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001047271162 678502679 /nfs/dbraw/zinc/50/26/79/678502679.db2.gz DEXSLYFUSJSBBY-AVGNSLFASA-N 1 1 319.427 -1.209 20 0 DAADMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047291633 678503148 /nfs/dbraw/zinc/50/31/48/678503148.db2.gz POBDYKXREFEKQI-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047291633 678503154 /nfs/dbraw/zinc/50/31/54/678503154.db2.gz POBDYKXREFEKQI-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295390 678503577 /nfs/dbraw/zinc/50/35/77/678503577.db2.gz LKJZNWNOMMGHCD-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047295390 678503581 /nfs/dbraw/zinc/50/35/81/678503581.db2.gz LKJZNWNOMMGHCD-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047295161 678503873 /nfs/dbraw/zinc/50/38/73/678503873.db2.gz IIQYFBMGZYCRTD-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047296115 678503948 /nfs/dbraw/zinc/50/39/48/678503948.db2.gz XSLHSFAAOHYDKM-QWRGUYRKSA-N 1 1 321.345 -2.532 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047296115 678503951 /nfs/dbraw/zinc/50/39/51/678503951.db2.gz XSLHSFAAOHYDKM-QWRGUYRKSA-N 1 1 321.345 -2.532 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047303032 678504686 /nfs/dbraw/zinc/50/46/86/678504686.db2.gz WRZXDDLZYYLSQO-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047303032 678504691 /nfs/dbraw/zinc/50/46/91/678504691.db2.gz WRZXDDLZYYLSQO-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001047324084 678507276 /nfs/dbraw/zinc/50/72/76/678507276.db2.gz HWPLPAJARXZZNU-IHRRRGAJSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001047324560 678507761 /nfs/dbraw/zinc/50/77/61/678507761.db2.gz UHRTUYKWVQUQOH-SRVKXCTJSA-N 1 1 323.401 -1.692 20 0 DAADMO CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047323910 678507774 /nfs/dbraw/zinc/50/77/74/678507774.db2.gz ASDYRLIADMCBMZ-AGIUHOORSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001047332494 678508482 /nfs/dbraw/zinc/50/84/82/678508482.db2.gz WCRBAAQZDMKNCO-RYUDHWBXSA-N 1 1 309.370 -1.456 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047333602 678509679 /nfs/dbraw/zinc/50/96/79/678509679.db2.gz LKXYYOSOGSBYJA-DCAQKATOSA-N 1 1 300.359 -2.694 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047333602 678509682 /nfs/dbraw/zinc/50/96/82/678509682.db2.gz LKXYYOSOGSBYJA-DCAQKATOSA-N 1 1 300.359 -2.694 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2COCCN2C)C1 ZINC001047356245 678510301 /nfs/dbraw/zinc/51/03/01/678510301.db2.gz WNOJETDPKQOPRM-AVGNSLFASA-N 1 1 301.387 -1.533 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047358348 678510777 /nfs/dbraw/zinc/51/07/77/678510777.db2.gz YBFGWYPAWXKDCY-DCAQKATOSA-N 1 1 313.358 -1.478 20 0 DAADMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047376052 678513332 /nfs/dbraw/zinc/51/33/32/678513332.db2.gz QPYFGJKREKMYPK-QWRGUYRKSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047376052 678513334 /nfs/dbraw/zinc/51/33/34/678513334.db2.gz QPYFGJKREKMYPK-QWRGUYRKSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047381018 678513454 /nfs/dbraw/zinc/51/34/54/678513454.db2.gz DHDPCEZLMMFMTO-AVGNSLFASA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047380186 678513552 /nfs/dbraw/zinc/51/35/52/678513552.db2.gz DZKJATWFFVDMBA-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047380186 678513555 /nfs/dbraw/zinc/51/35/55/678513555.db2.gz DZKJATWFFVDMBA-STQMWFEESA-N 1 1 317.353 -1.228 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047382099 678514045 /nfs/dbraw/zinc/51/40/45/678514045.db2.gz WRWWMRUZOUUDIG-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047397648 678515188 /nfs/dbraw/zinc/51/51/88/678515188.db2.gz CCQRUFJEYFIRJD-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047397648 678515191 /nfs/dbraw/zinc/51/51/91/678515191.db2.gz CCQRUFJEYFIRJD-SRVKXCTJSA-N 1 1 322.369 -1.940 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001047401181 678515443 /nfs/dbraw/zinc/51/54/43/678515443.db2.gz HCELKQZTADWLAA-RYUDHWBXSA-N 1 1 324.381 -1.541 20 0 DAADMO C[C@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)N1C(=O)CCC1=O ZINC001047400643 678515526 /nfs/dbraw/zinc/51/55/26/678515526.db2.gz FLIYDEKPJTZYTI-VWYCJHECSA-N 1 1 313.354 -1.980 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047398366 678515593 /nfs/dbraw/zinc/51/55/93/678515593.db2.gz ZNLALJYVJOOHAF-AGIUHOORSA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)c1cnn2ncccc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047409333 678516541 /nfs/dbraw/zinc/51/65/41/678516541.db2.gz IAZNKXZLROIRHZ-STQMWFEESA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cnc2n[nH]nc2c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047409340 678516646 /nfs/dbraw/zinc/51/66/46/678516646.db2.gz IIFFJKOMCRQCCU-RYUDHWBXSA-N 1 1 320.353 -1.148 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047414862 678516824 /nfs/dbraw/zinc/51/68/24/678516824.db2.gz XHBQTZUWJTZPRU-SRVKXCTJSA-N 1 1 324.381 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047413179 678517171 /nfs/dbraw/zinc/51/71/71/678517171.db2.gz AJSBEOPKIWXHDQ-USWWRNFRSA-N 1 1 310.354 -1.722 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047414214 678517240 /nfs/dbraw/zinc/51/72/40/678517240.db2.gz HJNBUAPYBQYZMM-SRVKXCTJSA-N 1 1 324.381 -1.112 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047413178 678517269 /nfs/dbraw/zinc/51/72/69/678517269.db2.gz AJSBEOPKIWXHDQ-DLOVCJGASA-N 1 1 310.354 -1.722 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414219 678517342 /nfs/dbraw/zinc/51/73/42/678517342.db2.gz HMBDOXZODCPUTP-XKNYDFJKSA-N 1 1 314.342 -2.531 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423760 678517653 /nfs/dbraw/zinc/51/76/53/678517653.db2.gz AULHCDOTDIBREH-VWYCJHECSA-N 1 1 323.353 -1.437 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423760 678517655 /nfs/dbraw/zinc/51/76/55/678517655.db2.gz AULHCDOTDIBREH-VWYCJHECSA-N 1 1 323.353 -1.437 20 0 DAADMO CN(C(=O)Cc1ccc(C(N)=O)nc1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047428074 678518451 /nfs/dbraw/zinc/51/84/51/678518451.db2.gz WLXHTZZTVOLBCV-STQMWFEESA-N 1 1 322.365 -1.781 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047433302 678518987 /nfs/dbraw/zinc/51/89/87/678518987.db2.gz IVWJAWVOSRJEMZ-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CN(C(=O)C1CCC(C(N)=O)CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047436653 678519267 /nfs/dbraw/zinc/51/92/67/678519267.db2.gz AFCILZGERUAAOH-TYUFSLCMSA-N 1 1 313.398 -1.226 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047434693 678519473 /nfs/dbraw/zinc/51/94/73/678519473.db2.gz XHANJKJNDVBESK-RYUDHWBXSA-N 1 1 311.386 -1.259 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCC2=O)C1 ZINC001047438858 678519492 /nfs/dbraw/zinc/51/94/92/678519492.db2.gz ULJIRGSVLRVGGO-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047439972 678519833 /nfs/dbraw/zinc/51/98/33/678519833.db2.gz CFYCXLAIOMOKEL-STQMWFEESA-N 1 1 319.369 -1.102 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047439972 678519837 /nfs/dbraw/zinc/51/98/37/678519837.db2.gz CFYCXLAIOMOKEL-STQMWFEESA-N 1 1 319.369 -1.102 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047440942 678520119 /nfs/dbraw/zinc/52/01/19/678520119.db2.gz VBESGCBGIVDDAJ-QWRGUYRKSA-N 1 1 323.357 -2.053 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047440942 678520123 /nfs/dbraw/zinc/52/01/23/678520123.db2.gz VBESGCBGIVDDAJ-QWRGUYRKSA-N 1 1 323.357 -2.053 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047441045 678520270 /nfs/dbraw/zinc/52/02/70/678520270.db2.gz ZYXNTTJBJMMXNN-STQMWFEESA-N 1 1 319.369 -1.102 20 0 DAADMO CN(C)Cc1cc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)no1 ZINC001047439405 678520277 /nfs/dbraw/zinc/52/02/77/678520277.db2.gz FSMQJEWUFAXTJH-STQMWFEESA-N 1 1 312.370 -1.154 20 0 DAADMO CN(C)Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)no1 ZINC001047439405 678520283 /nfs/dbraw/zinc/52/02/83/678520283.db2.gz FSMQJEWUFAXTJH-STQMWFEESA-N 1 1 312.370 -1.154 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001047443024 678520905 /nfs/dbraw/zinc/52/09/05/678520905.db2.gz QKQZVHACOPWECC-WOPDTQHZSA-N 1 1 314.386 -1.714 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)cn1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047443559 678521047 /nfs/dbraw/zinc/52/10/47/678521047.db2.gz ISGQGRSFBYCWEQ-RYUDHWBXSA-N 1 1 310.354 -1.767 20 0 DAADMO COc1nccc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001047453324 678521347 /nfs/dbraw/zinc/52/13/47/678521347.db2.gz RLPYTQYFFJCQOP-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)nn1C ZINC001047452535 678521354 /nfs/dbraw/zinc/52/13/54/678521354.db2.gz OGVQXTXOSWOHDD-USWWRNFRSA-N 1 1 312.370 -1.073 20 0 DAADMO COc1cnc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)nc1 ZINC001047452841 678521570 /nfs/dbraw/zinc/52/15/70/678521570.db2.gz XIZCGDNVHZKHDM-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001047452739 678521739 /nfs/dbraw/zinc/52/17/39/678521739.db2.gz UIQOGRWSRLKKLY-LSJOCFKGSA-N 1 1 320.353 -1.149 20 0 DAADMO CCn1cc(CC(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)nn1 ZINC001047466978 678521992 /nfs/dbraw/zinc/52/19/92/678521992.db2.gz YJGLUYBZKQSVKP-DRZSPHRISA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001047457838 678522108 /nfs/dbraw/zinc/52/21/08/678522108.db2.gz PFJSQNDMLDVXDC-DLOVCJGASA-N 1 1 320.353 -1.378 20 0 DAADMO CN(C(=O)c1cnc2nccn2c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047457400 678522176 /nfs/dbraw/zinc/52/21/76/678522176.db2.gz UXTRCUZTBCYIDZ-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cnc2nccn2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047457400 678522177 /nfs/dbraw/zinc/52/21/77/678522177.db2.gz UXTRCUZTBCYIDZ-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047458752 678522428 /nfs/dbraw/zinc/52/24/28/678522428.db2.gz DHALSZIITZBKLK-AVGNSLFASA-N 1 1 321.381 -1.416 20 0 DAADMO CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047467629 678522679 /nfs/dbraw/zinc/52/26/79/678522679.db2.gz IXLGYXNAKBZCFF-HTVCTNPSSA-N 1 1 314.382 -1.466 20 0 DAADMO CN(C(=O)[C@@H]1CCNC(=O)CC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047470437 678522798 /nfs/dbraw/zinc/52/27/98/678522798.db2.gz OPXOPCBSKUTQMX-AVGNSLFASA-N 1 1 313.398 -1.211 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001047468724 678522928 /nfs/dbraw/zinc/52/29/28/678522928.db2.gz RUCQPTAMFPINBN-AVGNSLFASA-N 1 1 323.397 -1.355 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 ZINC001047482725 678523614 /nfs/dbraw/zinc/52/36/14/678523614.db2.gz HTVHOIFWWIGTSU-RYUDHWBXSA-N 1 1 320.353 -1.112 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047486889 678523834 /nfs/dbraw/zinc/52/38/34/678523834.db2.gz PGFSKBQWWNCIFT-VWYCJHECSA-N 1 1 300.359 -2.104 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047485655 678523882 /nfs/dbraw/zinc/52/38/82/678523882.db2.gz WNCYIWWTNCZHGF-WYUUTHIRSA-N 1 1 324.381 -1.302 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047485655 678523885 /nfs/dbraw/zinc/52/38/85/678523885.db2.gz WNCYIWWTNCZHGF-WYUUTHIRSA-N 1 1 324.381 -1.302 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001047483996 678523988 /nfs/dbraw/zinc/52/39/88/678523988.db2.gz XMPLUVNQERROOH-VWYCJHECSA-N 1 1 300.359 -1.840 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047484313 678524167 /nfs/dbraw/zinc/52/41/67/678524167.db2.gz RGMFPCGOMIFVLZ-MQYQWHSLSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047489618 678524721 /nfs/dbraw/zinc/52/47/21/678524721.db2.gz WNCYIWWTNCZHGF-BJDJZHNGSA-N 1 1 324.381 -1.302 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001047489618 678524723 /nfs/dbraw/zinc/52/47/23/678524723.db2.gz WNCYIWWTNCZHGF-BJDJZHNGSA-N 1 1 324.381 -1.302 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047497933 678525137 /nfs/dbraw/zinc/52/51/37/678525137.db2.gz YIKALZVUBKKOQF-WHCZJHEKSA-N 1 1 323.393 -1.339 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047497933 678525141 /nfs/dbraw/zinc/52/51/41/678525141.db2.gz YIKALZVUBKKOQF-WHCZJHEKSA-N 1 1 323.393 -1.339 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047497932 678525630 /nfs/dbraw/zinc/52/56/30/678525630.db2.gz YIKALZVUBKKOQF-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047497932 678525632 /nfs/dbraw/zinc/52/56/32/678525632.db2.gz YIKALZVUBKKOQF-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047498728 678525679 /nfs/dbraw/zinc/52/56/79/678525679.db2.gz GFCZKRHIWQIGGV-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047498728 678525681 /nfs/dbraw/zinc/52/56/81/678525681.db2.gz GFCZKRHIWQIGGV-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047492248 678525758 /nfs/dbraw/zinc/52/57/58/678525758.db2.gz AZTLTSYGPQMJIL-RFGFWPKPSA-N 1 1 324.425 -1.137 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047506643 678525983 /nfs/dbraw/zinc/52/59/83/678525983.db2.gz DDXJLCUPBVKIMI-DCAQKATOSA-N 1 1 323.357 -2.537 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047506643 678525984 /nfs/dbraw/zinc/52/59/84/678525984.db2.gz DDXJLCUPBVKIMI-DCAQKATOSA-N 1 1 323.357 -2.537 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047505696 678526340 /nfs/dbraw/zinc/52/63/40/678526340.db2.gz SXAZIWKTJGEECE-DRZSPHRISA-N 1 1 322.365 -1.077 20 0 DAADMO CN(C(=O)c1ccoc1CC(N)=O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047502378 678526408 /nfs/dbraw/zinc/52/64/08/678526408.db2.gz LJCHHYWGWVBQPK-QWRGUYRKSA-N 1 1 311.338 -1.583 20 0 DAADMO CN(C(=O)c1ccoc1CC(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047502378 678526411 /nfs/dbraw/zinc/52/64/11/678526411.db2.gz LJCHHYWGWVBQPK-QWRGUYRKSA-N 1 1 311.338 -1.583 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001047506968 678526715 /nfs/dbraw/zinc/52/67/15/678526715.db2.gz HNRFLYYLAVWDTC-AGIUHOORSA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001047506968 678526721 /nfs/dbraw/zinc/52/67/21/678526721.db2.gz HNRFLYYLAVWDTC-AGIUHOORSA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001047510208 678527256 /nfs/dbraw/zinc/52/72/56/678527256.db2.gz IHYDNWJICGUBSW-XQQFMLRXSA-N 1 1 307.350 -1.291 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001047510208 678527258 /nfs/dbraw/zinc/52/72/58/678527258.db2.gz IHYDNWJICGUBSW-XQQFMLRXSA-N 1 1 307.350 -1.291 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001047510350 678527306 /nfs/dbraw/zinc/52/73/06/678527306.db2.gz MMRLZWQHHJUQOM-IHRRRGAJSA-N 1 1 321.377 -1.421 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001047510187 678527366 /nfs/dbraw/zinc/52/73/66/678527366.db2.gz HKDANGMYLFYZSO-AVGNSLFASA-N 1 1 313.398 -1.084 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001047510188 678527455 /nfs/dbraw/zinc/52/74/55/678527455.db2.gz HKDANGMYLFYZSO-XQQFMLRXSA-N 1 1 313.398 -1.084 20 0 DAADMO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047518496 678527657 /nfs/dbraw/zinc/52/76/57/678527657.db2.gz PCSAOAKMRCDFIZ-QWRGUYRKSA-N 1 1 323.332 -1.042 20 0 DAADMO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047518496 678527658 /nfs/dbraw/zinc/52/76/58/678527658.db2.gz PCSAOAKMRCDFIZ-QWRGUYRKSA-N 1 1 323.332 -1.042 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(=O)n2C)C1 ZINC001047520889 678527901 /nfs/dbraw/zinc/52/79/01/678527901.db2.gz GAOUYAHHLSBUCJ-DRZSPHRISA-N 1 1 309.366 -1.117 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)co2)C1 ZINC001047525147 678527963 /nfs/dbraw/zinc/52/79/63/678527963.db2.gz PMOKPWWBXRNFHZ-MIMYLULJSA-N 1 1 311.338 -1.124 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047528705 678528544 /nfs/dbraw/zinc/52/85/44/678528544.db2.gz YFKGSTHFVRCIRS-AVGNSLFASA-N 1 1 312.414 -1.422 20 0 DAADMO CCCN1C[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001047544480 678529250 /nfs/dbraw/zinc/52/92/50/678529250.db2.gz BINPSPHELVCJIY-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047548995 678529258 /nfs/dbraw/zinc/52/92/58/678529258.db2.gz LSDQJPFPLIDPLH-KATARQTJSA-N 1 1 314.342 -2.531 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047554358 678529723 /nfs/dbraw/zinc/52/97/23/678529723.db2.gz CTHOHOKTQUREPL-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047554358 678529725 /nfs/dbraw/zinc/52/97/25/678529725.db2.gz CTHOHOKTQUREPL-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047561298 678530544 /nfs/dbraw/zinc/53/05/44/678530544.db2.gz BIGIEBPLJUVTGI-DCAQKATOSA-N 1 1 321.399 -2.484 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047561298 678530546 /nfs/dbraw/zinc/53/05/46/678530546.db2.gz BIGIEBPLJUVTGI-DCAQKATOSA-N 1 1 321.399 -2.484 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047567900 678531066 /nfs/dbraw/zinc/53/10/66/678531066.db2.gz BCIIGCDBWOMFNN-IUCAKERBSA-N 1 1 300.315 -2.966 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047569413 678531110 /nfs/dbraw/zinc/53/11/10/678531110.db2.gz VLFZSPVKLAXPIK-QWRGUYRKSA-N 1 1 322.369 -1.456 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001047569413 678531111 /nfs/dbraw/zinc/53/11/11/678531111.db2.gz VLFZSPVKLAXPIK-QWRGUYRKSA-N 1 1 322.369 -1.456 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047568005 678531236 /nfs/dbraw/zinc/53/12/36/678531236.db2.gz GMKUFOLTUULYJF-QWRGUYRKSA-N 1 1 312.370 -1.302 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567343 678531311 /nfs/dbraw/zinc/53/13/11/678531311.db2.gz FAEUGJFQCOGSNC-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)c1nc2ncccn2n1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047568850 678531431 /nfs/dbraw/zinc/53/14/31/678531431.db2.gz NOFLUSOIHGBEBJ-QWRGUYRKSA-N 1 1 320.353 -1.376 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047573389 678531845 /nfs/dbraw/zinc/53/18/45/678531845.db2.gz JAPKVVSERJEUPV-QWRGUYRKSA-N 1 1 307.314 -1.522 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047573389 678531849 /nfs/dbraw/zinc/53/18/49/678531849.db2.gz JAPKVVSERJEUPV-QWRGUYRKSA-N 1 1 307.314 -1.522 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001047572079 678531895 /nfs/dbraw/zinc/53/18/95/678531895.db2.gz AOVSFIFYBQWNOG-DCAQKATOSA-N 1 1 320.353 -1.378 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579963 678533021 /nfs/dbraw/zinc/53/30/21/678533021.db2.gz XEXLTJQDGHAVDK-SRVKXCTJSA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047579963 678533023 /nfs/dbraw/zinc/53/30/23/678533023.db2.gz XEXLTJQDGHAVDK-SRVKXCTJSA-N 1 1 323.397 -1.068 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001047587027 678533200 /nfs/dbraw/zinc/53/32/00/678533200.db2.gz UTSJUDYPFSHQMM-UWVGGRQHSA-N 1 1 312.370 -1.160 20 0 DAADMO COc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001047588561 678533542 /nfs/dbraw/zinc/53/35/42/678533542.db2.gz YCBVBPPRXLAEOZ-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001047590375 678533628 /nfs/dbraw/zinc/53/36/28/678533628.db2.gz FBYLSDDLPQEPET-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047592658 678533831 /nfs/dbraw/zinc/53/38/31/678533831.db2.gz AZMBVWVDHBFZSI-WOPDTQHZSA-N 1 1 309.370 -1.113 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047592658 678533835 /nfs/dbraw/zinc/53/38/35/678533835.db2.gz AZMBVWVDHBFZSI-WOPDTQHZSA-N 1 1 309.370 -1.113 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047592658 678533837 /nfs/dbraw/zinc/53/38/37/678533837.db2.gz AZMBVWVDHBFZSI-WOPDTQHZSA-N 1 1 309.370 -1.113 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001047593344 678534426 /nfs/dbraw/zinc/53/44/26/678534426.db2.gz GJCWLHFDLHDXNA-QWRGUYRKSA-N 1 1 320.353 -1.057 20 0 DAADMO CN(C(=O)[C@@H]1CCCCN(C)C1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047593631 678534573 /nfs/dbraw/zinc/53/45/73/678534573.db2.gz PUJSUSCIBJNHNN-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)n1 ZINC001047605935 678535440 /nfs/dbraw/zinc/53/54/40/678535440.db2.gz RAWVMYSSKLWZRA-AGIUHOORSA-N 1 1 324.381 -1.564 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001047613364 678536075 /nfs/dbraw/zinc/53/60/75/678536075.db2.gz DUEXRJAFEWLACU-RYUDHWBXSA-N 1 1 311.386 -1.196 20 0 DAADMO CN(C(=O)C[C@@H]1CCCCC(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047610114 678536166 /nfs/dbraw/zinc/53/61/66/678536166.db2.gz PEFUPDFEKCAZIS-AVGNSLFASA-N 1 1 313.398 -1.069 20 0 DAADMO COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001047619138 678536737 /nfs/dbraw/zinc/53/67/37/678536737.db2.gz CUNRKOOASMUFIY-UWVGGRQHSA-N 1 1 323.353 -1.661 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001047619138 678536740 /nfs/dbraw/zinc/53/67/40/678536740.db2.gz CUNRKOOASMUFIY-UWVGGRQHSA-N 1 1 323.353 -1.661 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047617979 678536745 /nfs/dbraw/zinc/53/67/45/678536745.db2.gz JXJQJWFYWBGQOZ-RYUDHWBXSA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620054 678536787 /nfs/dbraw/zinc/53/67/87/678536787.db2.gz JNKGOCAUVANCLV-WOPDTQHZSA-N 1 1 324.385 -1.742 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620054 678536789 /nfs/dbraw/zinc/53/67/89/678536789.db2.gz JNKGOCAUVANCLV-WOPDTQHZSA-N 1 1 324.385 -1.742 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620314 678536818 /nfs/dbraw/zinc/53/68/18/678536818.db2.gz MSTMAEHZJYISLL-VWYCJHECSA-N 1 1 310.358 -1.955 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620314 678536822 /nfs/dbraw/zinc/53/68/22/678536822.db2.gz MSTMAEHZJYISLL-VWYCJHECSA-N 1 1 310.358 -1.955 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047619399 678537210 /nfs/dbraw/zinc/53/72/10/678537210.db2.gz LFKLBODMOVOIQJ-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047620655 678537674 /nfs/dbraw/zinc/53/76/74/678537674.db2.gz SIFZTWYUAOHWHB-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047620655 678537679 /nfs/dbraw/zinc/53/76/79/678537679.db2.gz SIFZTWYUAOHWHB-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047624216 678537740 /nfs/dbraw/zinc/53/77/40/678537740.db2.gz DBJYXGYZKFFUIB-UWVGGRQHSA-N 1 1 312.326 -2.405 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624138 678537817 /nfs/dbraw/zinc/53/78/17/678537817.db2.gz BULRWOQUDKIURT-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047624125 678537962 /nfs/dbraw/zinc/53/79/62/678537962.db2.gz BOMJSRLKBKNFDE-DLOVCJGASA-N 1 1 309.370 -1.431 20 0 DAADMO CN(C(=O)c1noc2c1COCC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047635514 678538288 /nfs/dbraw/zinc/53/82/88/678538288.db2.gz XXFYDJPOGYYUJY-QWRGUYRKSA-N 1 1 311.338 -1.143 20 0 DAADMO CN(C(=O)c1noc2c1COCC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047635514 678538292 /nfs/dbraw/zinc/53/82/92/678538292.db2.gz XXFYDJPOGYYUJY-QWRGUYRKSA-N 1 1 311.338 -1.143 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001047632053 678538304 /nfs/dbraw/zinc/53/83/04/678538304.db2.gz XGPRVPWRPHIJRF-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047638425 678539489 /nfs/dbraw/zinc/53/94/89/678539489.db2.gz RTWBFARTVXQPHX-AGIUHOORSA-N 1 1 312.414 -1.150 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001047643615 678539520 /nfs/dbraw/zinc/53/95/20/678539520.db2.gz QMUUFBVERPZBSB-ICCXJUOJSA-N 1 1 322.365 -1.322 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001047638965 678539607 /nfs/dbraw/zinc/53/96/07/678539607.db2.gz IPTLPVMLZXGBAO-RYUDHWBXSA-N 1 1 324.385 -1.464 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047640640 678539738 /nfs/dbraw/zinc/53/97/38/678539738.db2.gz YTQIKBCMYGDAJI-GHYVTOPFSA-N 1 1 313.398 -1.118 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001047648409 678540204 /nfs/dbraw/zinc/54/02/04/678540204.db2.gz NIEXHFGBCIURBZ-STQMWFEESA-N 1 1 322.365 -1.056 20 0 DAADMO CN(C(=O)[C@@H]1CCCN1C(N)=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047645567 678540265 /nfs/dbraw/zinc/54/02/65/678540265.db2.gz YHKBJFFHKVARKV-SRVKXCTJSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001047661619 678540510 /nfs/dbraw/zinc/54/05/10/678540510.db2.gz IABZFQVAZRVWIL-ICCXJUOJSA-N 1 1 322.365 -1.322 20 0 DAADMO CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047650460 678540568 /nfs/dbraw/zinc/54/05/68/678540568.db2.gz WOSGRSGVKALSDN-DCAQKATOSA-N 1 1 315.345 -1.098 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)ccn1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047659805 678540919 /nfs/dbraw/zinc/54/09/19/678540919.db2.gz XNBOZTGMCIBGBJ-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)ccn1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047659805 678540920 /nfs/dbraw/zinc/54/09/20/678540920.db2.gz XNBOZTGMCIBGBJ-RYUDHWBXSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)ccn1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047658065 678540989 /nfs/dbraw/zinc/54/09/89/678540989.db2.gz LPHLMKACOCVMKC-STQMWFEESA-N 1 1 322.365 -1.320 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001047704756 678541013 /nfs/dbraw/zinc/54/10/13/678541013.db2.gz MOICNYBIVNDOTH-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047825564 678541209 /nfs/dbraw/zinc/54/12/09/678541209.db2.gz LPXAQCLHBZWEEV-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047838428 678541282 /nfs/dbraw/zinc/54/12/82/678541282.db2.gz VQZNOVDIHUIUSU-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001047842877 678541294 /nfs/dbraw/zinc/54/12/94/678541294.db2.gz DYCJKCHTMDPYGI-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047838429 678541407 /nfs/dbraw/zinc/54/14/07/678541407.db2.gz VQZNOVDIHUIUSU-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047855093 678541882 /nfs/dbraw/zinc/54/18/82/678541882.db2.gz IHTCVOMKQXTHEE-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047855091 678542038 /nfs/dbraw/zinc/54/20/38/678542038.db2.gz IHTCVOMKQXTHEE-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001048004660 678543243 /nfs/dbraw/zinc/54/32/43/678543243.db2.gz PXQYLVWPCVXONK-DTWKUNHWSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001048004659 678543427 /nfs/dbraw/zinc/54/34/27/678543427.db2.gz PXQYLVWPCVXONK-BDAKNGLRSA-N 1 1 305.346 -1.031 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001048022512 678543766 /nfs/dbraw/zinc/54/37/66/678543766.db2.gz PNFCBUIKPMWGPA-SRVKXCTJSA-N 1 1 315.370 -2.007 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001048022512 678543770 /nfs/dbraw/zinc/54/37/70/678543770.db2.gz PNFCBUIKPMWGPA-SRVKXCTJSA-N 1 1 315.370 -2.007 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001048022511 678543969 /nfs/dbraw/zinc/54/39/69/678543969.db2.gz PNFCBUIKPMWGPA-SDDRHHMPSA-N 1 1 315.370 -2.007 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001048022511 678543972 /nfs/dbraw/zinc/54/39/72/678543972.db2.gz PNFCBUIKPMWGPA-SDDRHHMPSA-N 1 1 315.370 -2.007 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001048029380 678544519 /nfs/dbraw/zinc/54/45/19/678544519.db2.gz WTKBPSBNTSAVAG-VHSXEESVSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048249746 678548087 /nfs/dbraw/zinc/54/80/87/678548087.db2.gz SXUONMLQEMQUEB-ZJUUUORDSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048257205 678548389 /nfs/dbraw/zinc/54/83/89/678548389.db2.gz WEULOXGUCULRIK-NXEZZACHSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048277387 678548573 /nfs/dbraw/zinc/54/85/73/678548573.db2.gz YCOSWHHCOFHLET-QWRGUYRKSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048300956 678548823 /nfs/dbraw/zinc/54/88/23/678548823.db2.gz KVZVVMTUYFODEW-RKDXNWHRSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048282834 678548864 /nfs/dbraw/zinc/54/88/64/678548864.db2.gz FKCIXGJWNFUPGY-ZJUUUORDSA-N 1 1 323.401 -1.094 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048401549 678550204 /nfs/dbraw/zinc/55/02/04/678550204.db2.gz AVHGDJOXACSQTH-UWVGGRQHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048408557 678550512 /nfs/dbraw/zinc/55/05/12/678550512.db2.gz LHSUHUBGLJKVOX-DTWKUNHWSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048401551 678550570 /nfs/dbraw/zinc/55/05/70/678550570.db2.gz AVHGDJOXACSQTH-ZJUUUORDSA-N 1 1 319.373 -1.164 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1COC(=O)N1)C2 ZINC001048521378 678552096 /nfs/dbraw/zinc/55/20/96/678552096.db2.gz YOVBNPVINSNJSJ-LMLFDSFASA-N 1 1 310.354 -1.061 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)n1 ZINC001048553540 678552405 /nfs/dbraw/zinc/55/24/05/678552405.db2.gz LURAIBYGSGNNBC-ILWJIGKKSA-N 1 1 307.358 -1.332 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)CN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048634222 678555038 /nfs/dbraw/zinc/55/50/38/678555038.db2.gz QKJOYQHBDWKEKV-FRRDWIJNSA-N 1 1 309.366 -1.094 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048670247 678555112 /nfs/dbraw/zinc/55/51/12/678555112.db2.gz GZBWVPKZCQLMNE-OUAUKWLOSA-N 1 1 305.342 -2.048 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048669912 678555125 /nfs/dbraw/zinc/55/51/25/678555125.db2.gz ACXRQHWMFIUKKY-AOOOYVTPSA-N 1 1 304.314 -1.354 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048669912 678555130 /nfs/dbraw/zinc/55/51/30/678555130.db2.gz ACXRQHWMFIUKKY-AOOOYVTPSA-N 1 1 304.314 -1.354 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001048670908 678555208 /nfs/dbraw/zinc/55/52/08/678555208.db2.gz NPMBNNKIDJQBOC-BETUJISGSA-N 1 1 316.369 -1.040 20 0 DAADMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048672262 678555789 /nfs/dbraw/zinc/55/57/89/678555789.db2.gz VYPAUXHZRRGPNV-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048672262 678555792 /nfs/dbraw/zinc/55/57/92/678555792.db2.gz VYPAUXHZRRGPNV-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cncn3)C[C@H]2C1 ZINC001048679844 678555888 /nfs/dbraw/zinc/55/58/88/678555888.db2.gz GWOJXYLQKUSWEP-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048673920 678555930 /nfs/dbraw/zinc/55/59/30/678555930.db2.gz LFOUBRTUDSFIIA-FRRDWIJNSA-N 1 1 320.393 -1.113 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672346 678556010 /nfs/dbraw/zinc/55/60/10/678556010.db2.gz ZFRNPQJFZXEWTN-OUAUKWLOSA-N 1 1 307.358 -1.673 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cncn3)C[C@H]2C1 ZINC001048679843 678556093 /nfs/dbraw/zinc/55/60/93/678556093.db2.gz GWOJXYLQKUSWEP-SDDRHHMPSA-N 1 1 306.370 -1.068 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672359 678556129 /nfs/dbraw/zinc/55/61/29/678556129.db2.gz ZJMUDSUTOLSYBF-MXWKQRLJSA-N 1 1 307.358 -1.802 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671746 678556195 /nfs/dbraw/zinc/55/61/95/678556195.db2.gz IHCIIDOCMVTGIK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048671746 678556198 /nfs/dbraw/zinc/55/61/98/678556198.db2.gz IHCIIDOCMVTGIK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048705864 678556570 /nfs/dbraw/zinc/55/65/70/678556570.db2.gz RHQYEJFNDLJMSO-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048707777 678556616 /nfs/dbraw/zinc/55/66/16/678556616.db2.gz UTMKTTGOCDIKBE-OUAUKWLOSA-N 1 1 315.395 -1.690 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048721616 678556648 /nfs/dbraw/zinc/55/66/48/678556648.db2.gz KSCUNUZBDNACLN-YVECIDJPSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048721751 678557293 /nfs/dbraw/zinc/55/72/93/678557293.db2.gz QPDDNHDRUBWVGK-WRWGMCAJSA-N 1 1 306.366 -1.456 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739094 678558812 /nfs/dbraw/zinc/55/88/12/678558812.db2.gz GVPNOXYWSHDPPQ-CRWXNKLISA-N 1 1 324.425 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739097 678558931 /nfs/dbraw/zinc/55/89/31/678558931.db2.gz GVPNOXYWSHDPPQ-XJFOESAGSA-N 1 1 324.425 -1.029 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740182 678558966 /nfs/dbraw/zinc/55/89/66/678558966.db2.gz UZLNZMGPOAYNBQ-MJBXVCDLSA-N 1 1 324.425 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)c3C)C[C@H]2C1 ZINC001048736282 678559132 /nfs/dbraw/zinc/55/91/32/678559132.db2.gz VWVJZROLLVXIRN-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3nnc[nH]3)C[C@H]2C1 ZINC001048751120 678559183 /nfs/dbraw/zinc/55/91/83/678559183.db2.gz UXSFGZAZMPTYCX-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCc3nc[nH]n3)C[C@H]2C1 ZINC001048751120 678559186 /nfs/dbraw/zinc/55/91/86/678559186.db2.gz UXSFGZAZMPTYCX-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3nc[nH]n3)C[C@H]2C1 ZINC001048751120 678559187 /nfs/dbraw/zinc/55/91/87/678559187.db2.gz UXSFGZAZMPTYCX-PHIMTYICSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048775991 678559535 /nfs/dbraw/zinc/55/95/35/678559535.db2.gz GIRCACOSDSVWCV-WUHRBBMRSA-N 1 1 310.398 -1.419 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048762155 678559550 /nfs/dbraw/zinc/55/95/50/678559550.db2.gz CODBZTMVGMJFAT-FVCCEPFGSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762824 678559639 /nfs/dbraw/zinc/55/96/39/678559639.db2.gz MYPHUNCTXOBDOJ-KKOKHZNYSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048777107 678559672 /nfs/dbraw/zinc/55/96/72/678559672.db2.gz LWAQGGPQZPGSGT-AOOOYVTPSA-N 1 1 308.342 -1.880 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048777093 678559726 /nfs/dbraw/zinc/55/97/26/678559726.db2.gz LIVZPFKAORPUGG-CRWXNKLISA-N 1 1 322.409 -1.404 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762916 678559761 /nfs/dbraw/zinc/55/97/61/678559761.db2.gz PCPZVTFVFRSXCK-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048776292 678559787 /nfs/dbraw/zinc/55/97/87/678559787.db2.gz SPRHYSPOYBVHGU-MQYQWHSLSA-N 1 1 324.425 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048776293 678559793 /nfs/dbraw/zinc/55/97/93/678559793.db2.gz SPRHYSPOYBVHGU-YIYPIFLZSA-N 1 1 324.425 -1.158 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C1 ZINC001048775028 678559806 /nfs/dbraw/zinc/55/98/06/678559806.db2.gz GZGAQELTPLRXRD-HZSPNIEDSA-N 1 1 324.425 -1.027 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048779173 678560008 /nfs/dbraw/zinc/56/00/08/678560008.db2.gz OYJNSPNOHIHTDE-AXFHLTTASA-N 1 1 320.353 -1.738 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C1 ZINC001048790778 678560054 /nfs/dbraw/zinc/56/00/54/678560054.db2.gz IBTTZSQIVGJMBM-LPEHRKFASA-N 1 1 308.338 -1.144 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C1 ZINC001048787837 678560192 /nfs/dbraw/zinc/56/01/92/678560192.db2.gz NPGSJBAXFYPGNY-TXEJJXNPSA-N 1 1 306.370 -1.196 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778597 678560643 /nfs/dbraw/zinc/56/06/43/678560643.db2.gz DQGZNBMNYPDXDJ-BBBLOLIVSA-N 1 1 308.342 -1.752 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048796048 678560750 /nfs/dbraw/zinc/56/07/50/678560750.db2.gz BCSIEVARXWIBIU-WRWGMCAJSA-N 1 1 322.365 -1.236 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794230 678560829 /nfs/dbraw/zinc/56/08/29/678560829.db2.gz SAVIDDMPPGWIKE-MMWGEVLESA-N 1 1 310.354 -1.381 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794232 678560873 /nfs/dbraw/zinc/56/08/73/678560873.db2.gz SAVIDDMPPGWIKE-ZNSHCXBVSA-N 1 1 310.354 -1.381 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048794034 678560889 /nfs/dbraw/zinc/56/08/89/678560889.db2.gz OZPVJZXBQOTAOD-GRYCIOLGSA-N 1 1 320.353 -1.223 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793612 678561018 /nfs/dbraw/zinc/56/10/18/678561018.db2.gz KGBPHWKBEGJZQU-ZRUFSTJUSA-N 1 1 310.354 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793610 678561059 /nfs/dbraw/zinc/56/10/59/678561059.db2.gz KGBPHWKBEGJZQU-YTWAJWBKSA-N 1 1 310.354 -1.251 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794486 678561246 /nfs/dbraw/zinc/56/12/46/678561246.db2.gz WUGNSSUBIJPNTQ-WYUUTHIRSA-N 1 1 324.381 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@H]2C1 ZINC001048818590 678561441 /nfs/dbraw/zinc/56/14/41/678561441.db2.gz LJLCSIQEOMIYCO-XQQFMLRXSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822146 678561461 /nfs/dbraw/zinc/56/14/61/678561461.db2.gz ROELILYDPVLPAR-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO COCCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC001048816160 678561533 /nfs/dbraw/zinc/56/15/33/678561533.db2.gz SFIJBYWLODCXBV-PHIMTYICSA-N 1 1 322.369 -1.586 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048821882 678561633 /nfs/dbraw/zinc/56/16/33/678561633.db2.gz HHAWTFICFHEKKP-TUAOUCFPSA-N 1 1 319.369 -1.658 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001048804033 678561663 /nfs/dbraw/zinc/56/16/63/678561663.db2.gz WIXNVVCAKPZFLM-PHIMTYICSA-N 1 1 306.370 -1.093 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc(C)[nH]3)C[C@H]2C1 ZINC001048812367 678561692 /nfs/dbraw/zinc/56/16/92/678561692.db2.gz BRPLTEJUPDYMKR-PHIMTYICSA-N 1 1 306.370 -1.208 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048821881 678561827 /nfs/dbraw/zinc/56/18/27/678561827.db2.gz HHAWTFICFHEKKP-GRYCIOLGSA-N 1 1 319.369 -1.658 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827847 678562168 /nfs/dbraw/zinc/56/21/68/678562168.db2.gz JBLJCMHDFJKAMQ-DTORHVGOSA-N 1 1 321.341 -2.748 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833455 678562279 /nfs/dbraw/zinc/56/22/79/678562279.db2.gz ODGDADKOJXRSCC-RQJABVFESA-N 1 1 322.409 -1.275 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833455 678562281 /nfs/dbraw/zinc/56/22/81/678562281.db2.gz ODGDADKOJXRSCC-RQJABVFESA-N 1 1 322.409 -1.275 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048828053 678562468 /nfs/dbraw/zinc/56/24/68/678562468.db2.gz ORGCMXPECXFIMK-PHIMTYICSA-N 1 1 322.369 -1.586 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)C1=O ZINC001048843177 678563085 /nfs/dbraw/zinc/56/30/85/678563085.db2.gz WEJCRBSLEFUXGA-XQQFMLRXSA-N 1 1 318.381 -1.101 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)C1=O ZINC001048843176 678563093 /nfs/dbraw/zinc/56/30/93/678563093.db2.gz WEJCRBSLEFUXGA-FRRDWIJNSA-N 1 1 318.381 -1.101 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842859 678563117 /nfs/dbraw/zinc/56/31/17/678563117.db2.gz KDWGVUNIMSBFLP-SDDRHHMPSA-N 1 1 306.370 -1.197 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048843034 678563171 /nfs/dbraw/zinc/56/31/71/678563171.db2.gz PUBJRBPFQMISHD-BETUJISGSA-N 1 1 316.369 -1.040 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)N1C(=O)CCC1=O ZINC001048848704 678563232 /nfs/dbraw/zinc/56/32/32/678563232.db2.gz SWGGFTYPALVZDY-GARJFASQSA-N 1 1 322.365 -1.601 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048843073 678563467 /nfs/dbraw/zinc/56/34/67/678563467.db2.gz RPVOKUXXCITUEU-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048868715 678563920 /nfs/dbraw/zinc/56/39/20/678563920.db2.gz KCSLKVPNCDFQQZ-AEJSXWLSSA-N 1 1 323.353 -2.279 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048865595 678564217 /nfs/dbraw/zinc/56/42/17/678564217.db2.gz IIJRNXPXNWXUME-TXEJJXNPSA-N 1 1 324.381 -2.019 20 0 DAADMO CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@H]2C1 ZINC001048850944 678564266 /nfs/dbraw/zinc/56/42/66/678564266.db2.gz TWMKFFYIZXCGLP-TXEJJXNPSA-N 1 1 306.366 -1.043 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048863121 678564278 /nfs/dbraw/zinc/56/42/78/678564278.db2.gz ZMHWKQZORLZULV-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)c(=O)[nH]c1C ZINC001048886728 678564553 /nfs/dbraw/zinc/56/45/53/678564553.db2.gz OGWBLIHZTOZQQI-PHIMTYICSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878753 678564746 /nfs/dbraw/zinc/56/47/46/678564746.db2.gz RILTYBDLEMTMLW-WYUUTHIRSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912993 678565238 /nfs/dbraw/zinc/56/52/38/678565238.db2.gz TYERGJJWTZRKEL-FIQHERPVSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC(=O)N1 ZINC001048911604 678565248 /nfs/dbraw/zinc/56/52/48/678565248.db2.gz LRJFPMHULYFVNU-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn4c(n3)COCC4)C[C@H]2C1 ZINC001048893291 678565266 /nfs/dbraw/zinc/56/52/66/678565266.db2.gz SDSOMQSUTMZVED-PHIMTYICSA-N 1 1 319.365 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048898601 678565638 /nfs/dbraw/zinc/56/56/38/678565638.db2.gz WPRKTLCVGZAVFD-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)c1=O ZINC001048905532 678565658 /nfs/dbraw/zinc/56/56/58/678565658.db2.gz AHVHXOXJZVREMC-TXEJJXNPSA-N 1 1 309.370 -1.646 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 ZINC001048906146 678565687 /nfs/dbraw/zinc/56/56/87/678565687.db2.gz JPZKXGKMCDRPPM-GARJFASQSA-N 1 1 322.369 -2.154 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891911 678565753 /nfs/dbraw/zinc/56/57/53/678565753.db2.gz VTZSKEJHINEHFN-YIYPIFLZSA-N 1 1 324.425 -1.158 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cc1=O ZINC001048898755 678565826 /nfs/dbraw/zinc/56/58/26/678565826.db2.gz ZFJLRSFWGIYIIV-TXEJJXNPSA-N 1 1 304.350 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C[C@H]2C1 ZINC001048924411 678566178 /nfs/dbraw/zinc/56/61/78/678566178.db2.gz BWYYNZAKKZMYLS-SDDRHHMPSA-N 1 1 323.397 -1.347 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC001048917292 678566282 /nfs/dbraw/zinc/56/62/82/678566282.db2.gz CJCDXNJUBRIUJN-UTUOFQBUSA-N 1 1 323.397 -1.334 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC001048917291 678566350 /nfs/dbraw/zinc/56/63/50/678566350.db2.gz CJCDXNJUBRIUJN-SDDRHHMPSA-N 1 1 323.397 -1.334 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048913290 678566388 /nfs/dbraw/zinc/56/63/88/678566388.db2.gz ZAROJAPUICXAED-FVCCEPFGSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC001048943443 678566419 /nfs/dbraw/zinc/56/64/19/678566419.db2.gz DIFAISGLOZCAFS-GARJFASQSA-N 1 1 319.365 -1.342 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048913304 678566449 /nfs/dbraw/zinc/56/64/49/678566449.db2.gz ZAROJAPUICXAED-WUHRBBMRSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048924104 678566688 /nfs/dbraw/zinc/56/66/88/678566688.db2.gz PYSYEEFTRAQFAH-TXEJJXNPSA-N 1 1 309.366 -1.092 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC(=O)CC3)C[C@H]2C1 ZINC001048962769 678567089 /nfs/dbraw/zinc/56/70/89/678567089.db2.gz RQMDVGKQRHRAEF-SDDRHHMPSA-N 1 1 308.382 -1.222 20 0 DAADMO CCn1cc(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC001048952999 678567238 /nfs/dbraw/zinc/56/72/38/678567238.db2.gz UOUSDXPSLCXDDZ-PHIMTYICSA-N 1 1 306.370 -1.284 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048955398 678567251 /nfs/dbraw/zinc/56/72/51/678567251.db2.gz CNDWRMNGIIUKKA-ZVXAKGHKSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048955353 678567302 /nfs/dbraw/zinc/56/73/02/678567302.db2.gz CNDWRMNGIIUKKA-OZWUEAAUSA-N 1 1 308.382 -1.223 20 0 DAADMO COc1nn(C)cc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048974552 678567667 /nfs/dbraw/zinc/56/76/67/678567667.db2.gz DGKJNZPWQZILTC-AOOOYVTPSA-N 1 1 307.354 -1.082 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001048977513 678567756 /nfs/dbraw/zinc/56/77/56/678567756.db2.gz XFMOEIJONGAVGN-UWVGGRQHSA-N 1 1 300.359 -2.158 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001048977498 678567876 /nfs/dbraw/zinc/56/78/76/678567876.db2.gz WRWVJTZIOWTJBJ-QWRGUYRKSA-N 1 1 324.385 -1.211 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)n1 ZINC001048977585 678567958 /nfs/dbraw/zinc/56/79/58/678567958.db2.gz FAMCMCOXLQNJQS-LOWVWBTDSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)n1 ZINC001048977585 678567964 /nfs/dbraw/zinc/56/79/64/678567964.db2.gz FAMCMCOXLQNJQS-LOWVWBTDSA-N 1 1 318.381 -1.159 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048977671 678567977 /nfs/dbraw/zinc/56/79/77/678567977.db2.gz IAAGICXEHLPQIO-USZNOCQGSA-N 1 1 306.366 -1.599 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048979163 678568449 /nfs/dbraw/zinc/56/84/49/678568449.db2.gz PDINJLPDYPRJMD-AXFHLTTASA-N 1 1 309.370 -1.854 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977784 678568476 /nfs/dbraw/zinc/56/84/76/678568476.db2.gz LHJXWEQZNGURDE-MELADBBJSA-N 1 1 324.425 -1.157 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048979752 678568628 /nfs/dbraw/zinc/56/86/28/678568628.db2.gz IZFGQKKZMGFRNY-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048979172 678568756 /nfs/dbraw/zinc/56/87/56/678568756.db2.gz PDINJLPDYPRJMD-OUAUKWLOSA-N 1 1 309.370 -1.854 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978486 678568768 /nfs/dbraw/zinc/56/87/68/678568768.db2.gz FYOAQYPXFXTGDU-USZNOCQGSA-N 1 1 323.397 -1.336 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977876 678568794 /nfs/dbraw/zinc/56/87/94/678568794.db2.gz OKUVEWGSUVOHKI-UPJWGTAASA-N 1 1 310.398 -1.811 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048990848 678569301 /nfs/dbraw/zinc/56/93/01/678569301.db2.gz AAPGWWZTNHYRBL-AOOOYVTPSA-N 1 1 307.358 -1.698 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1=O ZINC001048992979 678569320 /nfs/dbraw/zinc/56/93/20/678569320.db2.gz UDOIBZASWYQPRR-YVECIDJPSA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CC4)C[C@@H]3C2)n1 ZINC001048991475 678569422 /nfs/dbraw/zinc/56/94/22/678569422.db2.gz XRSRTVIBHIXTMR-AOOOYVTPSA-N 1 1 319.369 -1.508 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991445 678569462 /nfs/dbraw/zinc/56/94/62/678569462.db2.gz WJSUUEFMTPRYGQ-MXWKQRLJSA-N 1 1 321.385 -1.309 20 0 DAADMO CN1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1=O ZINC001048992976 678569623 /nfs/dbraw/zinc/56/96/23/678569623.db2.gz UDOIBZASWYQPRR-QNWHQSFQSA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)n1 ZINC001048991433 678569710 /nfs/dbraw/zinc/56/97/10/678569710.db2.gz WBOJRXFEMCAEOC-OUAUKWLOSA-N 1 1 319.369 -1.508 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991034 678569782 /nfs/dbraw/zinc/56/97/82/678569782.db2.gz HJGRADKPTWTXAB-KXUCPTDWSA-N 1 1 307.358 -1.522 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992078 678569794 /nfs/dbraw/zinc/56/97/94/678569794.db2.gz BJFCRHNTXHLXRU-TUAOUCFPSA-N 1 1 308.382 -1.399 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049018902 678569986 /nfs/dbraw/zinc/56/99/86/678569986.db2.gz AICZIAQHUVNCMX-UWVGGRQHSA-N 1 1 314.386 -1.768 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)C1=O ZINC001049019678 678570100 /nfs/dbraw/zinc/57/01/00/678570100.db2.gz UYCCHLSFROCZNH-USZNOCQGSA-N 1 1 321.381 -1.711 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC001049018665 678570173 /nfs/dbraw/zinc/57/01/73/678570173.db2.gz GWGXJEHNOFMWIQ-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049002996 678570380 /nfs/dbraw/zinc/57/03/80/678570380.db2.gz XSAHAOUEMMKFGB-YVECIDJPSA-N 1 1 320.393 -1.114 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)o1 ZINC001049019036 678570570 /nfs/dbraw/zinc/57/05/70/678570570.db2.gz NZRDEPJOIGGPEF-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)o1 ZINC001049019036 678570576 /nfs/dbraw/zinc/57/05/76/678570576.db2.gz NZRDEPJOIGGPEF-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018194 678570629 /nfs/dbraw/zinc/57/06/29/678570629.db2.gz BDAWRADMRXFQRU-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CNC(=O)N4)C[C@H]3C2)n1 ZINC001049018194 678570633 /nfs/dbraw/zinc/57/06/33/678570633.db2.gz BDAWRADMRXFQRU-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019656 678570664 /nfs/dbraw/zinc/57/06/64/678570664.db2.gz UQKDDGSKLBFOCY-NNYUYHANSA-N 1 1 323.397 -1.465 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018674 678570741 /nfs/dbraw/zinc/57/07/41/678570741.db2.gz HETIBFPEIGNTON-UMNHJUIQSA-N 1 1 319.369 -1.613 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001049019290 678570763 /nfs/dbraw/zinc/57/07/63/678570763.db2.gz QNJZHYJSAORVHZ-TUAOUCFPSA-N 1 1 321.381 -1.710 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049018662 678570882 /nfs/dbraw/zinc/57/08/82/678570882.db2.gz GUJOJKWVVBWSMX-TUAOUCFPSA-N 1 1 319.369 -1.650 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001049019788 678571110 /nfs/dbraw/zinc/57/11/10/678571110.db2.gz WGQCILWTQUYKMM-UMNHJUIQSA-N 1 1 321.381 -1.663 20 0 DAADMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)nn1 ZINC001049020703 678571166 /nfs/dbraw/zinc/57/11/66/678571166.db2.gz JUIHIBJYQXVJSF-AOOOYVTPSA-N 1 1 305.338 -1.139 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CNC(=O)N4)C[C@H]3C2)cn1 ZINC001049020103 678571184 /nfs/dbraw/zinc/57/11/84/678571184.db2.gz XWRQKUWMVSHERT-FRRDWIJNSA-N 1 1 318.381 -1.008 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049020966 678571273 /nfs/dbraw/zinc/57/12/73/678571273.db2.gz MOSPXVZBKNEUMJ-PHIMTYICSA-N 1 1 306.370 -1.018 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049020086 678571626 /nfs/dbraw/zinc/57/16/26/678571626.db2.gz XHVRWLIUOFTILC-KXNHARMFSA-N 1 1 321.381 -1.663 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001049020446 678571695 /nfs/dbraw/zinc/57/16/95/678571695.db2.gz DVHSUHMXIOTNID-AOOOYVTPSA-N 1 1 323.353 -3.180 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049053377 678572297 /nfs/dbraw/zinc/57/22/97/678572297.db2.gz BJVSNLNMSXJVCX-IEECTRCBSA-N 1 1 311.382 -1.210 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)CCO1 ZINC001049023120 678572331 /nfs/dbraw/zinc/57/23/31/678572331.db2.gz NTDFYVAYKRVJEY-SDDRHHMPSA-N 1 1 324.381 -1.891 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)co3)C[C@H]2C1 ZINC001049051629 678572420 /nfs/dbraw/zinc/57/24/20/678572420.db2.gz WVAXVKPXSNZWAF-AOOOYVTPSA-N 1 1 306.322 -1.132 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CCC(=O)N1 ZINC001049040411 678572477 /nfs/dbraw/zinc/57/24/77/678572477.db2.gz OIRNYHMCGVNPFF-JBBSTSQOSA-N 1 1 320.393 -1.066 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001049024332 678572487 /nfs/dbraw/zinc/57/24/87/678572487.db2.gz LBADNWSHQRBDMF-AOOOYVTPSA-N 1 1 308.338 -1.989 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001049062268 678572868 /nfs/dbraw/zinc/57/28/68/678572868.db2.gz YHNMDMQFIXGCFK-RYUDHWBXSA-N 1 1 324.385 -1.210 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049054684 678573177 /nfs/dbraw/zinc/57/31/77/678573177.db2.gz QZDVIOFRZGJBNR-ZRUFSTJUSA-N 1 1 310.354 -2.105 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049084098 678573449 /nfs/dbraw/zinc/57/34/49/678573449.db2.gz FWLBYCHRBAHLFX-AXFHLTTASA-N 1 1 310.354 -1.643 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049085524 678573564 /nfs/dbraw/zinc/57/35/64/678573564.db2.gz YSIPEAALOKMLCY-AEJSXWLSSA-N 1 1 323.353 -2.279 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)S1(=O)=O ZINC001049109915 678574111 /nfs/dbraw/zinc/57/41/11/678574111.db2.gz XKPLOEUMKFJDLG-TUAOUCFPSA-N 1 1 317.411 -1.597 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049104167 678574183 /nfs/dbraw/zinc/57/41/83/678574183.db2.gz OVPKHNQVMJLLPN-PHIMTYICSA-N 1 1 321.385 -1.328 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049117374 678574271 /nfs/dbraw/zinc/57/42/71/678574271.db2.gz ABKOWQMMBGMVDW-UTUOFQBUSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049114206 678574356 /nfs/dbraw/zinc/57/43/56/678574356.db2.gz NNMCWXNEYKFONP-JLLWLGSASA-N 1 1 309.366 -1.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049112280 678574454 /nfs/dbraw/zinc/57/44/54/678574454.db2.gz IWINAGDNPJZPTF-WISYIIOYSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001049115002 678574651 /nfs/dbraw/zinc/57/46/51/678574651.db2.gz BLUOUBGWXGUQST-MXWKQRLJSA-N 1 1 306.370 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049117416 678574693 /nfs/dbraw/zinc/57/46/93/678574693.db2.gz BODOJLFPSVVQGO-AOOOYVTPSA-N 1 1 323.353 -2.326 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001049150295 678574980 /nfs/dbraw/zinc/57/49/80/678574980.db2.gz SUSQTFDWUYBKGP-UWVGGRQHSA-N 1 1 300.359 -2.156 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128212 678575182 /nfs/dbraw/zinc/57/51/82/678575182.db2.gz AKKRCKOHPLVKKA-SDDRHHMPSA-N 1 1 321.385 -1.412 20 0 DAADMO COc1ncc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cn1 ZINC001049152559 678575269 /nfs/dbraw/zinc/57/52/69/678575269.db2.gz RWAFRMYZOQMKAI-PHIMTYICSA-N 1 1 305.338 -1.026 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128692 678575276 /nfs/dbraw/zinc/57/52/76/678575276.db2.gz IONAZZUNAVBVKM-PHIMTYICSA-N 1 1 307.358 -1.801 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001049149254 678575318 /nfs/dbraw/zinc/57/53/18/678575318.db2.gz DQBKUPYSRFMZAJ-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128214 678575355 /nfs/dbraw/zinc/57/53/55/678575355.db2.gz AKKRCKOHPLVKKA-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049162922 678575784 /nfs/dbraw/zinc/57/57/84/678575784.db2.gz IZWBFVDQTTZZIN-AXFHLTTASA-N 1 1 304.354 -1.374 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049160701 678575885 /nfs/dbraw/zinc/57/58/85/678575885.db2.gz HMQQXIGZBFFLGX-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@H](C)C3)C[C@H]2C1 ZINC001049160655 678576036 /nfs/dbraw/zinc/57/60/36/678576036.db2.gz FIFWIJSPZOULIP-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001049182684 678576333 /nfs/dbraw/zinc/57/63/33/678576333.db2.gz ZYBMRMUARLDLMW-TXEJJXNPSA-N 1 1 319.365 -1.573 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049179722 678576618 /nfs/dbraw/zinc/57/66/18/678576618.db2.gz JPOOECTZNNUFSB-XQQFMLRXSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049195624 678576676 /nfs/dbraw/zinc/57/66/76/678576676.db2.gz LDVGSCGOAIDFEZ-HZSPNIEDSA-N 1 1 311.382 -1.384 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1=O ZINC001049200273 678577205 /nfs/dbraw/zinc/57/72/05/678577205.db2.gz LZZCRCNCLWASPB-PHIMTYICSA-N 1 1 324.381 -1.301 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001049196718 678577377 /nfs/dbraw/zinc/57/73/77/678577377.db2.gz SASBHJYWDRYIMY-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049203464 678577531 /nfs/dbraw/zinc/57/75/31/678577531.db2.gz BJDHAVHTYFJQDK-GRYCIOLGSA-N 1 1 304.354 -1.443 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c(=O)n1C ZINC001049197270 678577569 /nfs/dbraw/zinc/57/75/69/678577569.db2.gz HQQWDNVURMLHBN-TXEJJXNPSA-N 1 1 309.370 -1.727 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205010 678577702 /nfs/dbraw/zinc/57/77/02/678577702.db2.gz COJUUEOHERZUON-PHIMTYICSA-N 1 1 310.354 -1.425 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206980 678577718 /nfs/dbraw/zinc/57/77/18/678577718.db2.gz OMSLVKHBVBVKJG-AOOOYVTPSA-N 1 1 308.338 -1.989 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049207030 678578175 /nfs/dbraw/zinc/57/81/75/678578175.db2.gz PWKOSXQRLDXYBX-AXFHLTTASA-N 1 1 310.354 -1.643 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]2C1 ZINC001049207050 678578218 /nfs/dbraw/zinc/57/82/18/678578218.db2.gz QSIJBXVGAZMZLK-MXWKQRLJSA-N 1 1 319.365 -1.040 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049220415 678578904 /nfs/dbraw/zinc/57/89/04/678578904.db2.gz MMSZMBXMKUHARR-TUAOUCFPSA-N 1 1 317.411 -1.549 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049224049 678579097 /nfs/dbraw/zinc/57/90/97/678579097.db2.gz ZRELLSQVUALEJJ-MJBXVCDLSA-N 1 1 311.382 -1.384 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049255403 678579395 /nfs/dbraw/zinc/57/93/95/678579395.db2.gz XIKZRGZTYLUYIG-SDDRHHMPSA-N 1 1 309.366 -1.188 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C(N)=O)n3)C[C@H]2C1 ZINC001049238653 678579499 /nfs/dbraw/zinc/57/94/99/678579499.db2.gz PSEVDYGYKBSKGC-AOOOYVTPSA-N 1 1 317.349 -1.330 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)N3CCOCC3)C[C@H]2C1 ZINC001049252391 678579594 /nfs/dbraw/zinc/57/95/94/678579594.db2.gz AYZNMQXNGFYSLW-RQJABVFESA-N 1 1 324.425 -1.029 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049365749 678580337 /nfs/dbraw/zinc/58/03/37/678580337.db2.gz FKVCVWVSIIYEMY-UWVGGRQHSA-N 1 1 314.386 -1.768 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049380638 678581008 /nfs/dbraw/zinc/58/10/08/678581008.db2.gz CCZLARBNAVBSNH-QWRGUYRKSA-N 1 1 317.411 -1.028 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049380638 678581010 /nfs/dbraw/zinc/58/10/10/678581010.db2.gz CCZLARBNAVBSNH-QWRGUYRKSA-N 1 1 317.411 -1.028 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049380640 678581013 /nfs/dbraw/zinc/58/10/13/678581013.db2.gz CCZLARBNAVBSNH-WDEREUQCSA-N 1 1 317.411 -1.028 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(N)=O ZINC001049380640 678581014 /nfs/dbraw/zinc/58/10/14/678581014.db2.gz CCZLARBNAVBSNH-WDEREUQCSA-N 1 1 317.411 -1.028 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049391039 678581943 /nfs/dbraw/zinc/58/19/43/678581943.db2.gz GASBVZGYSZDRQR-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049391039 678581948 /nfs/dbraw/zinc/58/19/48/678581948.db2.gz GASBVZGYSZDRQR-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521236 678582845 /nfs/dbraw/zinc/58/28/45/678582845.db2.gz HFIFZBVJXWIONQ-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521236 678582848 /nfs/dbraw/zinc/58/28/48/678582848.db2.gz HFIFZBVJXWIONQ-RYUDHWBXSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521234 678583014 /nfs/dbraw/zinc/58/30/14/678583014.db2.gz HFIFZBVJXWIONQ-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521234 678583018 /nfs/dbraw/zinc/58/30/18/678583018.db2.gz HFIFZBVJXWIONQ-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521237 678583065 /nfs/dbraw/zinc/58/30/65/678583065.db2.gz HFIFZBVJXWIONQ-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCOCC1=O ZINC001049521237 678583068 /nfs/dbraw/zinc/58/30/68/678583068.db2.gz HFIFZBVJXWIONQ-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)c1=O ZINC001049562925 678583559 /nfs/dbraw/zinc/58/35/59/678583559.db2.gz YXBRSJVZZBRDMG-VXGBXAGGSA-N 1 1 309.370 -1.361 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568348 678583918 /nfs/dbraw/zinc/58/39/18/678583918.db2.gz SZFYOJCYPBUSOO-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568348 678583923 /nfs/dbraw/zinc/58/39/23/678583923.db2.gz SZFYOJCYPBUSOO-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640815 678584284 /nfs/dbraw/zinc/58/42/84/678584284.db2.gz XCMAVHXYOUXJBN-MELADBBJSA-N 1 1 324.425 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049634038 678584511 /nfs/dbraw/zinc/58/45/11/678584511.db2.gz CGZHONJJHCQIRJ-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049634038 678584514 /nfs/dbraw/zinc/58/45/14/678584514.db2.gz CGZHONJJHCQIRJ-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652946 678584615 /nfs/dbraw/zinc/58/46/15/678584615.db2.gz YZQKXXQKSGQGQU-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652946 678584616 /nfs/dbraw/zinc/58/46/16/678584616.db2.gz YZQKXXQKSGQGQU-UWVGGRQHSA-N 1 1 307.358 -1.365 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782580 678585023 /nfs/dbraw/zinc/58/50/23/678585023.db2.gz LGRMQHHFVIYKMT-WDEREUQCSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782580 678585024 /nfs/dbraw/zinc/58/50/24/678585024.db2.gz LGRMQHHFVIYKMT-WDEREUQCSA-N 1 1 322.365 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049682969 678585085 /nfs/dbraw/zinc/58/50/85/678585085.db2.gz YSSQFCZNGWGGGB-GMTAPVOTSA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CNC(=O)N1 ZINC001049682969 678585086 /nfs/dbraw/zinc/58/50/86/678585086.db2.gz YSSQFCZNGWGGGB-GMTAPVOTSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721841 678585094 /nfs/dbraw/zinc/58/50/94/678585094.db2.gz GGOUQIFACUVCFU-FIQHERPVSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721841 678585095 /nfs/dbraw/zinc/58/50/95/678585095.db2.gz GGOUQIFACUVCFU-FIQHERPVSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782578 678585108 /nfs/dbraw/zinc/58/51/08/678585108.db2.gz LGRMQHHFVIYKMT-MNOVXSKESA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782578 678585112 /nfs/dbraw/zinc/58/51/12/678585112.db2.gz LGRMQHHFVIYKMT-MNOVXSKESA-N 1 1 322.365 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720003 678585158 /nfs/dbraw/zinc/58/51/58/678585158.db2.gz QHCZSZPSUPQNAE-RHYQMDGZSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720003 678585162 /nfs/dbraw/zinc/58/51/62/678585162.db2.gz QHCZSZPSUPQNAE-RHYQMDGZSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCOCC1 ZINC001049691741 678585231 /nfs/dbraw/zinc/58/52/31/678585231.db2.gz OEEYMWKSMGMMPL-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCOCC1 ZINC001049691741 678585232 /nfs/dbraw/zinc/58/52/32/678585232.db2.gz OEEYMWKSMGMMPL-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049682036 678585371 /nfs/dbraw/zinc/58/53/71/678585371.db2.gz CPULWGWBAPZHMH-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049789719 678585941 /nfs/dbraw/zinc/58/59/41/678585941.db2.gz FJBRRSHNBVJJPG-RYUDHWBXSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805685 678585972 /nfs/dbraw/zinc/58/59/72/678585972.db2.gz LEJRUQPROOUQCW-GHMZBOCLSA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805685 678585976 /nfs/dbraw/zinc/58/59/76/678585976.db2.gz LEJRUQPROOUQCW-GHMZBOCLSA-N 1 1 307.358 -1.386 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049807928 678585985 /nfs/dbraw/zinc/58/59/85/678585985.db2.gz VFZIJILXXAJTPY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805686 678585996 /nfs/dbraw/zinc/58/59/96/678585996.db2.gz LEJRUQPROOUQCW-MNOVXSKESA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049805686 678585999 /nfs/dbraw/zinc/58/59/99/678585999.db2.gz LEJRUQPROOUQCW-MNOVXSKESA-N 1 1 307.358 -1.386 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049789717 678586048 /nfs/dbraw/zinc/58/60/48/678586048.db2.gz FJBRRSHNBVJJPG-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049880691 678586317 /nfs/dbraw/zinc/58/63/17/678586317.db2.gz DMXUCMFYDUHIEK-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)c(=O)n1C ZINC001049869225 678586329 /nfs/dbraw/zinc/58/63/29/678586329.db2.gz DZFTZIJOLXCVPP-CHWSQXEVSA-N 1 1 323.397 -1.052 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)C1=O ZINC001049887133 678586441 /nfs/dbraw/zinc/58/64/41/678586441.db2.gz VMRFSJFKPMBQOA-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885558 678586493 /nfs/dbraw/zinc/58/64/93/678586493.db2.gz NYGXTWLZKYXJAK-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885558 678586494 /nfs/dbraw/zinc/58/64/94/678586494.db2.gz NYGXTWLZKYXJAK-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890625 678586502 /nfs/dbraw/zinc/58/65/02/678586502.db2.gz XENWDPGDTCMTJN-WDEREUQCSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CCC1=O ZINC001049890625 678586505 /nfs/dbraw/zinc/58/65/05/678586505.db2.gz XENWDPGDTCMTJN-WDEREUQCSA-N 1 1 322.365 -1.314 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)C1=O ZINC001049887140 678586788 /nfs/dbraw/zinc/58/67/88/678586788.db2.gz VMRFSJFKPMBQOA-RYUDHWBXSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)ccc1=O ZINC001049875701 678586794 /nfs/dbraw/zinc/58/67/94/678586794.db2.gz GESHBJKVDUDYOE-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)ccc1=O ZINC001049875701 678586797 /nfs/dbraw/zinc/58/67/97/678586797.db2.gz GESHBJKVDUDYOE-NWDGAFQWSA-N 1 1 319.365 -1.056 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049933815 678587286 /nfs/dbraw/zinc/58/72/86/678587286.db2.gz NDOMESCMIOSZAZ-GARJFASQSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001049933815 678587289 /nfs/dbraw/zinc/58/72/89/678587289.db2.gz NDOMESCMIOSZAZ-GARJFASQSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049933818 678587300 /nfs/dbraw/zinc/58/73/00/678587300.db2.gz NDOMESCMIOSZAZ-OUAUKWLOSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC(=O)NC1=O ZINC001049933818 678587304 /nfs/dbraw/zinc/58/73/04/678587304.db2.gz NDOMESCMIOSZAZ-OUAUKWLOSA-N 1 1 322.365 -1.410 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001049968682 678587400 /nfs/dbraw/zinc/58/74/00/678587400.db2.gz WMRALPORDLQOLG-SDDRHHMPSA-N 1 1 319.369 -1.516 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671806 678588415 /nfs/dbraw/zinc/58/84/15/678588415.db2.gz QJCDEHHDNOYZQO-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671806 678588418 /nfs/dbraw/zinc/58/84/18/678588418.db2.gz QJCDEHHDNOYZQO-CMPLNLGQSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052673803 678589067 /nfs/dbraw/zinc/58/90/67/678589067.db2.gz DHWIGBVCYGQDNU-MNOVXSKESA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001052679403 678589092 /nfs/dbraw/zinc/58/90/92/678589092.db2.gz OHVPTNHWHKZUHX-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)c(=O)n(C)c1=O ZINC001052761060 678589252 /nfs/dbraw/zinc/58/92/52/678589252.db2.gz LSPDLXXPKHHVCN-LLVKDONJSA-N 1 1 324.381 -1.339 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798720 678589719 /nfs/dbraw/zinc/58/97/19/678589719.db2.gz WDOAUUJTSRMCNJ-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)CC1)C1CC2(C1)NC(=O)NC2=O ZINC001052784862 678589802 /nfs/dbraw/zinc/58/98/02/678589802.db2.gz ZDTHFOPHVRPFRW-LOIXOFCESA-N 1 1 324.381 -1.062 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1=O ZINC001052862903 678590521 /nfs/dbraw/zinc/59/05/21/678590521.db2.gz BVZGVQPZOKVBRH-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)c(=O)n1C ZINC001052905566 678590533 /nfs/dbraw/zinc/59/05/33/678590533.db2.gz LRXAMTPEYGCPQT-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)C1=O ZINC001052920970 678591139 /nfs/dbraw/zinc/59/11/39/678591139.db2.gz GGHWZYZOHJEINW-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052923178 678591155 /nfs/dbraw/zinc/59/11/55/678591155.db2.gz WTJYSQCBYARVGZ-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052923179 678591385 /nfs/dbraw/zinc/59/13/85/678591385.db2.gz WTJYSQCBYARVGZ-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)nn1 ZINC001052959087 678591729 /nfs/dbraw/zinc/59/17/29/678591729.db2.gz RYTWDEWOIOIYRA-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001052974841 678592008 /nfs/dbraw/zinc/59/20/08/678592008.db2.gz QXPXCQWQDJOFQE-MNOVXSKESA-N 1 1 311.386 -1.015 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001052946521 678592065 /nfs/dbraw/zinc/59/20/65/678592065.db2.gz VCTYTURGSIXHSP-MNOVXSKESA-N 1 1 305.400 -1.359 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001052945200 678592106 /nfs/dbraw/zinc/59/21/06/678592106.db2.gz FMHMMYRHVNEXPS-UWVGGRQHSA-N 1 1 318.399 -1.866 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053202737 678595544 /nfs/dbraw/zinc/59/55/44/678595544.db2.gz GLPDDIVJXUORRT-NSHDSACASA-N 1 1 312.370 -2.285 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053202737 678595547 /nfs/dbraw/zinc/59/55/47/678595547.db2.gz GLPDDIVJXUORRT-NSHDSACASA-N 1 1 312.370 -2.285 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053309376 678599043 /nfs/dbraw/zinc/59/90/43/678599043.db2.gz GDGDDEFSCRCKMU-GFCCVEGCSA-N 1 1 310.398 -1.131 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(CN(CCO)C3)C2)O1 ZINC001053303961 678599058 /nfs/dbraw/zinc/59/90/58/678599058.db2.gz BTLYSACXYZSBHA-CHWSQXEVSA-N 1 1 313.398 -1.389 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(CN(CCO)C3)C2)O1 ZINC001053303961 678599059 /nfs/dbraw/zinc/59/90/59/678599059.db2.gz BTLYSACXYZSBHA-CHWSQXEVSA-N 1 1 313.398 -1.389 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001053312433 678599596 /nfs/dbraw/zinc/59/95/96/678599596.db2.gz MYBHNBPHKGTEES-GXSJLCMTSA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC2(CN([C@H](C)C(N)=O)C2)C1 ZINC001053342899 678601509 /nfs/dbraw/zinc/60/15/09/678601509.db2.gz PQIXAJIPUZUJRR-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO CC(C)C[NH+]1CC2(C1)CN(C(=O)CN1CCNC(=O)C1)CCO2 ZINC001053371350 678602514 /nfs/dbraw/zinc/60/25/14/678602514.db2.gz ZEEDCIKYAOAWMU-UHFFFAOYSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053402253 678603091 /nfs/dbraw/zinc/60/30/91/678603091.db2.gz ITNQPMQAWGTQTP-NWDGAFQWSA-N 1 1 324.381 -1.383 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@@H]3C[C@]34CCOC4)C2)C1 ZINC001053402921 678603545 /nfs/dbraw/zinc/60/35/45/678603545.db2.gz HNWNTEFSERUNTR-FZMZJTMJSA-N 1 1 309.366 -1.189 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053532282 678607796 /nfs/dbraw/zinc/60/77/96/678607796.db2.gz IOOUVQLWHNRSGR-UHFFFAOYSA-N 1 1 307.354 -1.410 20 0 DAADMO CNC(=O)[C@H](C)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530589 678607813 /nfs/dbraw/zinc/60/78/13/678607813.db2.gz BTIWKBAJECMVRK-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531676 678607954 /nfs/dbraw/zinc/60/79/54/678607954.db2.gz UCJJUNMHWAQQAX-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530632 678608078 /nfs/dbraw/zinc/60/80/78/678608078.db2.gz DBSMLOAJKSBPNH-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586854 678608942 /nfs/dbraw/zinc/60/89/42/678608942.db2.gz YLFWTWCZVGHVKI-CHWSQXEVSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC3(CN(CCO)C3)O2)C1 ZINC001053586854 678608946 /nfs/dbraw/zinc/60/89/46/678608946.db2.gz YLFWTWCZVGHVKI-CHWSQXEVSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC(N)=O)C2)O1 ZINC001053583266 678609169 /nfs/dbraw/zinc/60/91/69/678609169.db2.gz WVJLEQXYDNUPJP-RYUDHWBXSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 ZINC001053583267 678609177 /nfs/dbraw/zinc/60/91/77/678609177.db2.gz WVJLEQXYDNUPJP-VXGBXAGGSA-N 1 1 310.398 -1.085 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CCC(=O)N1 ZINC001053582630 678609217 /nfs/dbraw/zinc/60/92/17/678609217.db2.gz JEXOUABQKPXABS-VXGBXAGGSA-N 1 1 311.382 -1.003 20 0 DAADMO C[C@@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(C)n1)O2 ZINC001053646925 678610306 /nfs/dbraw/zinc/61/03/06/678610306.db2.gz IAOZMBHAQXUFIF-ZJUUUORDSA-N 1 1 310.358 -1.446 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CNC(=O)N1 ZINC001053655387 678611050 /nfs/dbraw/zinc/61/10/50/678611050.db2.gz KLABMENNFHCZOV-QWRGUYRKSA-N 1 1 312.370 -1.600 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053757976 678613108 /nfs/dbraw/zinc/61/31/08/678613108.db2.gz IOARIMSFEFGJOX-NWDGAFQWSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053765998 678613206 /nfs/dbraw/zinc/61/32/06/678613206.db2.gz CBLFVNXJTIGBKC-OLZOCXBDSA-N 1 1 313.398 -1.077 20 0 DAADMO COCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053765998 678613209 /nfs/dbraw/zinc/61/32/09/678613209.db2.gz CBLFVNXJTIGBKC-OLZOCXBDSA-N 1 1 313.398 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766876 678613531 /nfs/dbraw/zinc/61/35/31/678613531.db2.gz XMRKJZFSNFDWRE-MNOVXSKESA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766876 678613537 /nfs/dbraw/zinc/61/35/37/678613537.db2.gz XMRKJZFSNFDWRE-MNOVXSKESA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766875 678613685 /nfs/dbraw/zinc/61/36/85/678613685.db2.gz XMRKJZFSNFDWRE-GHMZBOCLSA-N 1 1 312.370 -2.238 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053766875 678613688 /nfs/dbraw/zinc/61/36/88/678613688.db2.gz XMRKJZFSNFDWRE-GHMZBOCLSA-N 1 1 312.370 -2.238 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1COC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001053803335 678616022 /nfs/dbraw/zinc/61/60/22/678616022.db2.gz PXOYYCIBRYNYPK-VXGBXAGGSA-N 1 1 322.369 -1.331 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053833154 678617071 /nfs/dbraw/zinc/61/70/71/678617071.db2.gz UTZBTZGSIGVFGK-ZJUUUORDSA-N 1 1 310.354 -1.048 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053851850 678617850 /nfs/dbraw/zinc/61/78/50/678617850.db2.gz CYYSLTPRLYTXTM-LLVKDONJSA-N 1 1 309.370 -1.050 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053872224 678619306 /nfs/dbraw/zinc/61/93/06/678619306.db2.gz UYGQLYRGHHXCEF-NSHDSACASA-N 1 1 307.354 -1.364 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053890139 678620405 /nfs/dbraw/zinc/62/04/05/678620405.db2.gz BHUJEORSENWTQU-GFCCVEGCSA-N 1 1 310.398 -1.212 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001053896758 678621033 /nfs/dbraw/zinc/62/10/33/678621033.db2.gz CZNTWVTYLSIIMH-WDEREUQCSA-N 1 1 322.369 -1.180 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCOC4)C3)C2)n1 ZINC001053896755 678621082 /nfs/dbraw/zinc/62/10/82/678621082.db2.gz CZNTWVTYLSIIMH-GHMZBOCLSA-N 1 1 322.369 -1.180 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)CO2 ZINC001053940992 678623941 /nfs/dbraw/zinc/62/39/41/678623941.db2.gz QGADLMATSWHNGM-UWVGGRQHSA-N 1 1 310.354 -1.046 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053958872 678624710 /nfs/dbraw/zinc/62/47/10/678624710.db2.gz NEHJIMMPMATHRF-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007960 678627312 /nfs/dbraw/zinc/62/73/12/678627312.db2.gz PKFZDBXDDWXBGE-NWDGAFQWSA-N 1 1 310.398 -1.356 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054003252 678627342 /nfs/dbraw/zinc/62/73/42/678627342.db2.gz QGXYOZXSWQLLHX-SNVBAGLBSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CO2 ZINC001054003251 678627403 /nfs/dbraw/zinc/62/74/03/678627403.db2.gz QGXYOZXSWQLLHX-JTQLQIEISA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007962 678627425 /nfs/dbraw/zinc/62/74/25/678627425.db2.gz PKFZDBXDDWXBGE-VXGBXAGGSA-N 1 1 310.398 -1.356 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001054002673 678627524 /nfs/dbraw/zinc/62/75/24/678627524.db2.gz DPHNXVQQFPNLCZ-NSHDSACASA-N 1 1 322.365 -1.092 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC(N)=O)nn1)CO2 ZINC001054017106 678627887 /nfs/dbraw/zinc/62/78/87/678627887.db2.gz RSOMPHYOWXNBRW-JTQLQIEISA-N 1 1 322.369 -1.254 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054008129 678627997 /nfs/dbraw/zinc/62/79/97/678627997.db2.gz SZFZZIDJXCFDQI-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014361 678628062 /nfs/dbraw/zinc/62/80/62/678628062.db2.gz MYKDRJCLYIUKIK-OLZOCXBDSA-N 1 1 313.398 -1.341 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014361 678628064 /nfs/dbraw/zinc/62/80/64/678628064.db2.gz MYKDRJCLYIUKIK-OLZOCXBDSA-N 1 1 313.398 -1.341 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)n1 ZINC001054181954 678629007 /nfs/dbraw/zinc/62/90/07/678629007.db2.gz XEQHQLAQCYAYNG-ZDUSSCGKSA-N 1 1 307.358 -1.377 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC001054181954 678629010 /nfs/dbraw/zinc/62/90/10/678629010.db2.gz XEQHQLAQCYAYNG-ZDUSSCGKSA-N 1 1 307.358 -1.377 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001054176037 678629018 /nfs/dbraw/zinc/62/90/18/678629018.db2.gz ALZAVUUDUODUSB-XHDPSFHLSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001054188091 678629451 /nfs/dbraw/zinc/62/94/51/678629451.db2.gz GSQGGRLHNKRHBS-BMIGLBTASA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CN=NC1=O)C2 ZINC001054118369 678629468 /nfs/dbraw/zinc/62/94/68/678629468.db2.gz HJDSOMSKYMSYCF-CQSZACIVSA-N 1 1 322.369 -1.217 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186869 678629504 /nfs/dbraw/zinc/62/95/04/678629504.db2.gz GUOVSCGETOOTSM-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054358475 678630006 /nfs/dbraw/zinc/63/00/06/678630006.db2.gz FMGDMDHHYKYWCY-SCZZXKLOSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054366043 678630274 /nfs/dbraw/zinc/63/02/74/678630274.db2.gz JSPUYHGHGFFFMU-KOLCDFICSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054367219 678630623 /nfs/dbraw/zinc/63/06/23/678630623.db2.gz PDJUAISCSDYVCE-BDAKNGLRSA-N 1 1 306.334 -2.167 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)nn1 ZINC001054374853 678630802 /nfs/dbraw/zinc/63/08/02/678630802.db2.gz SYEJOCJTKRPYHY-CMPLNLGQSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054367931 678630841 /nfs/dbraw/zinc/63/08/41/678630841.db2.gz TZXPSZXJMYBXIP-ZJUUUORDSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)n1 ZINC001054366684 678630882 /nfs/dbraw/zinc/63/08/82/678630882.db2.gz MJKGDLCWYDUXEZ-JQWIXIFHSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054372978 678630916 /nfs/dbraw/zinc/63/09/16/678630916.db2.gz BJKREKPJLLGPBH-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054461911 678631405 /nfs/dbraw/zinc/63/14/05/678631405.db2.gz RKSHJZSTNWWAPN-GXSJLCMTSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054463774 678631474 /nfs/dbraw/zinc/63/14/74/678631474.db2.gz ZSIBQDBKSJRBJM-MWLCHTKSSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054491960 678631483 /nfs/dbraw/zinc/63/14/83/678631483.db2.gz DWLXKGSOLLKHDM-BDAKNGLRSA-N 1 1 317.357 -1.167 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001054461181 678631494 /nfs/dbraw/zinc/63/14/94/678631494.db2.gz NQHQLIHSLIIHJO-NXEZZACHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054583053 678632102 /nfs/dbraw/zinc/63/21/02/678632102.db2.gz USITWAVTRRLPRH-RKDXNWHRSA-N 1 1 321.345 -1.856 20 0 DAADMO Cc1c(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)[C@@H](C)C2)nnn1C ZINC001054524207 678632176 /nfs/dbraw/zinc/63/21/76/678632176.db2.gz LLNQZPKUKKEFPG-WPRPVWTQSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054595650 678632844 /nfs/dbraw/zinc/63/28/44/678632844.db2.gz DCQSRSZVAZGGJU-GXSJLCMTSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054604166 678632851 /nfs/dbraw/zinc/63/28/51/678632851.db2.gz YZIVDWCCZKBGPX-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001054603507 678632884 /nfs/dbraw/zinc/63/28/84/678632884.db2.gz XHRKEKRRLWVWSI-BXKDBHETSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001054646474 678633239 /nfs/dbraw/zinc/63/32/39/678633239.db2.gz BYBVOGZMHAYJLA-MWLCHTKSSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054638842 678633289 /nfs/dbraw/zinc/63/32/89/678633289.db2.gz XQZJJBJBXCBROG-RKDXNWHRSA-N 1 1 305.346 -1.411 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]1 ZINC001054634819 678633399 /nfs/dbraw/zinc/63/33/99/678633399.db2.gz LEXCSPWDVOXRCR-SCZZXKLOSA-N 1 1 319.373 -1.184 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)n1 ZINC001054646449 678633493 /nfs/dbraw/zinc/63/34/93/678633493.db2.gz BOGOHZNWHQHQSK-CMPLNLGQSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054753829 678634571 /nfs/dbraw/zinc/63/45/71/678634571.db2.gz BAPLPOHIZUSPGC-IUCAKERBSA-N 1 1 309.374 -1.342 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001054750182 678634707 /nfs/dbraw/zinc/63/47/07/678634707.db2.gz LWZKRPVSZPEZKO-ZYHUDNBSSA-N 1 1 323.353 -1.135 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054753820 678634939 /nfs/dbraw/zinc/63/49/39/678634939.db2.gz BAPLPOHIZUSPGC-BDAKNGLRSA-N 1 1 309.374 -1.342 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054750178 678634956 /nfs/dbraw/zinc/63/49/56/678634956.db2.gz LWZKRPVSZPEZKO-PWSUYJOCSA-N 1 1 323.353 -1.135 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C)[nH]1 ZINC001054982622 678636703 /nfs/dbraw/zinc/63/67/03/678636703.db2.gz ZSBMNJVLNPXYHF-APPZFPTMSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054980201 678636716 /nfs/dbraw/zinc/63/67/16/678636716.db2.gz BICHUTUYTYWZBW-RKDXNWHRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054974418 678636927 /nfs/dbraw/zinc/63/69/27/678636927.db2.gz SOKMOHATACJVEA-IUCAKERBSA-N 1 1 320.357 -1.101 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001055023585 678637740 /nfs/dbraw/zinc/63/77/40/678637740.db2.gz QZVRLQBXJPELTK-SFYZADRCSA-N 1 1 316.312 -1.035 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001055019662 678637778 /nfs/dbraw/zinc/63/77/78/678637778.db2.gz CCGYBQAFIBPIGR-BDAKNGLRSA-N 1 1 309.374 -1.150 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 ZINC001055156312 678639267 /nfs/dbraw/zinc/63/92/67/678639267.db2.gz XESYHBMERNLDSF-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542465 678641276 /nfs/dbraw/zinc/64/12/76/678641276.db2.gz BAJYREOGWSFKQM-UHFFFAOYSA-N 1 1 323.353 -1.140 20 0 DAADMO COCC(=O)NC1CC[NH+](CCNC(=O)c2cnnn2C)CC1 ZINC001055568869 678642046 /nfs/dbraw/zinc/64/20/46/678642046.db2.gz KVVDCBHQVSPJIV-UHFFFAOYSA-N 1 1 324.385 -1.228 20 0 DAADMO CS[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627424 678642713 /nfs/dbraw/zinc/64/27/13/678642713.db2.gz QHOBXBOJQZDPBR-SECBINFHSA-N 1 1 316.427 -1.080 20 0 DAADMO CO[C@@H](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626992 678642960 /nfs/dbraw/zinc/64/29/60/678642960.db2.gz JRDHYHJEUHVWTM-JTQLQIEISA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC001055626776 678643006 /nfs/dbraw/zinc/64/30/06/678643006.db2.gz GGXNOPBYQVAKMC-LLVKDONJSA-N 1 1 312.370 -1.653 20 0 DAADMO CC(C)(F)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626696 678643018 /nfs/dbraw/zinc/64/30/18/678643018.db2.gz CJYGKRFBOYGCFN-UHFFFAOYSA-N 1 1 302.350 -1.083 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622062 678643100 /nfs/dbraw/zinc/64/31/00/678643100.db2.gz AUJBRBKUPICVOO-UHFFFAOYSA-N 1 1 310.314 -2.135 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC001055626777 678643117 /nfs/dbraw/zinc/64/31/17/678643117.db2.gz GGXNOPBYQVAKMC-NSHDSACASA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001055627875 678643186 /nfs/dbraw/zinc/64/31/86/678643186.db2.gz XFDOTLOTHTWNCN-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO Cn1ccc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001055629344 678643501 /nfs/dbraw/zinc/64/35/01/678643501.db2.gz WSRQFPJEFFQZLJ-UHFFFAOYSA-N 1 1 322.369 -1.784 20 0 DAADMO Cc1conc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628880 678643589 /nfs/dbraw/zinc/64/35/89/678643589.db2.gz KCOMZRJMRYFETA-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001055629193 678643658 /nfs/dbraw/zinc/64/36/58/678643658.db2.gz QCJHDMGETBYLHP-UHFFFAOYSA-N 1 1 322.369 -1.866 20 0 DAADMO Cc1nonc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629536 678643685 /nfs/dbraw/zinc/64/36/85/678643685.db2.gz CQLMYAIIBJRGGZ-UHFFFAOYSA-N 1 1 324.341 -1.826 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001055629872 678643766 /nfs/dbraw/zinc/64/37/66/678643766.db2.gz MTYQYGDOVPOPBC-UHFFFAOYSA-N 1 1 324.345 -2.994 20 0 DAADMO Cc1nc[nH]c1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055630259 678643797 /nfs/dbraw/zinc/64/37/97/678643797.db2.gz YCHOEYYXCICEPJ-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO Cc1cnoc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055635495 678643853 /nfs/dbraw/zinc/64/38/53/678643853.db2.gz YKWSZVCIUDEJAC-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC001055629180 678643875 /nfs/dbraw/zinc/64/38/75/678643875.db2.gz PRYUIEVICQJKNR-VIFPVBQESA-N 1 1 318.324 -1.176 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055839105 678649194 /nfs/dbraw/zinc/64/91/94/678649194.db2.gz ZVMCPVHADBPENJ-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2ncn[nH]2)C1 ZINC001056047557 678655330 /nfs/dbraw/zinc/65/53/30/678655330.db2.gz OQEUEUFTVGNZQZ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2nc[nH]n2)C1 ZINC001056047557 678655334 /nfs/dbraw/zinc/65/53/34/678655334.db2.gz OQEUEUFTVGNZQZ-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)C(N)=O)C1 ZINC001056087626 678656679 /nfs/dbraw/zinc/65/66/79/678656679.db2.gz GJJNFWSGFYIVLM-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056118026 678660805 /nfs/dbraw/zinc/66/08/05/678660805.db2.gz UOJQXMUKRRGSIY-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001056729812 678664758 /nfs/dbraw/zinc/66/47/58/678664758.db2.gz JQKHFOJZSORDED-JVWICGRDSA-N 1 1 311.382 -1.193 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001056785565 678668029 /nfs/dbraw/zinc/66/80/29/678668029.db2.gz PIJLYWLAKZKGTH-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001056785726 678668233 /nfs/dbraw/zinc/66/82/33/678668233.db2.gz WLOJRKQMGHMWLQ-UHFFFAOYSA-N 1 1 317.386 -1.708 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)COC)C1 ZINC001056790896 678668607 /nfs/dbraw/zinc/66/86/07/678668607.db2.gz CRRISRKZPSFZOX-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)COC)C1 ZINC001056790896 678668609 /nfs/dbraw/zinc/66/86/09/678668609.db2.gz CRRISRKZPSFZOX-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CNC(C)=O ZINC001056816199 678672596 /nfs/dbraw/zinc/67/25/96/678672596.db2.gz RHYGDCBMKJGKBY-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056913826 678677549 /nfs/dbraw/zinc/67/75/49/678677549.db2.gz UQEGFNZHOYANKM-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056914708 678678233 /nfs/dbraw/zinc/67/82/33/678678233.db2.gz NGRDSELJSJGONI-UHFFFAOYSA-N 1 1 317.390 -2.066 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnccn3)C2)C1 ZINC001000722835 678680629 /nfs/dbraw/zinc/68/06/29/678680629.db2.gz QDTRGHALQMEXKO-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnccn3)C2)C1 ZINC001000722835 678680632 /nfs/dbraw/zinc/68/06/32/678680632.db2.gz QDTRGHALQMEXKO-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnccn3)C2)C1 ZINC001000722836 678680710 /nfs/dbraw/zinc/68/07/10/678680710.db2.gz QDTRGHALQMEXKO-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnccn3)C2)C1 ZINC001000722836 678680712 /nfs/dbraw/zinc/68/07/12/678680712.db2.gz QDTRGHALQMEXKO-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000739122 678680972 /nfs/dbraw/zinc/68/09/72/678680972.db2.gz QACALPJKPBDTJY-UWVGGRQHSA-N 1 1 307.358 -1.431 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001000755519 678681244 /nfs/dbraw/zinc/68/12/44/678681244.db2.gz ZOKFVLWLWIAHFZ-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001000755519 678681245 /nfs/dbraw/zinc/68/12/45/678681245.db2.gz ZOKFVLWLWIAHFZ-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc[nH]2)C1 ZINC001056950572 678681776 /nfs/dbraw/zinc/68/17/76/678681776.db2.gz ZDRCUSATLUQXIA-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc[nH]2)C1 ZINC001056950572 678681780 /nfs/dbraw/zinc/68/17/80/678681780.db2.gz ZDRCUSATLUQXIA-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)Cn2cccn2)C1 ZINC001056970382 678682814 /nfs/dbraw/zinc/68/28/14/678682814.db2.gz NOSQXNOAOGMCAL-CYBMUJFWSA-N 1 1 323.397 -1.228 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000913567 678684145 /nfs/dbraw/zinc/68/41/45/678684145.db2.gz KTWBBWYFFZMVTN-UHFFFAOYSA-N 1 1 319.365 -1.029 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000913567 678684147 /nfs/dbraw/zinc/68/41/47/678684147.db2.gz KTWBBWYFFZMVTN-UHFFFAOYSA-N 1 1 319.365 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]n2)C1 ZINC001057047868 678686888 /nfs/dbraw/zinc/68/68/88/678686888.db2.gz OJHMWGGBTPNMAP-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccn[nH]2)C1 ZINC001057047868 678686889 /nfs/dbraw/zinc/68/68/89/678686889.db2.gz OJHMWGGBTPNMAP-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccn[nH]2)C1 ZINC001057047868 678686892 /nfs/dbraw/zinc/68/68/92/678686892.db2.gz OJHMWGGBTPNMAP-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057112610 678692210 /nfs/dbraw/zinc/69/22/10/678692210.db2.gz PHYPFGXNZRFBCV-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057112610 678692213 /nfs/dbraw/zinc/69/22/13/678692213.db2.gz PHYPFGXNZRFBCV-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCOC2)C1 ZINC001057150499 678694657 /nfs/dbraw/zinc/69/46/57/678694657.db2.gz QYXISPPZIAFGTQ-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCOC2)C1 ZINC001057150497 678694717 /nfs/dbraw/zinc/69/47/17/678694717.db2.gz QYXISPPZIAFGTQ-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCOC2)C1 ZINC001057150496 678694763 /nfs/dbraw/zinc/69/47/63/678694763.db2.gz QYXISPPZIAFGTQ-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO Cn1nccc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057155312 678695654 /nfs/dbraw/zinc/69/56/54/678695654.db2.gz KSMXFGVQDXRBIM-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057209600 678699220 /nfs/dbraw/zinc/69/92/20/678699220.db2.gz RZHLBTDFWQXIRB-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057213057 678699602 /nfs/dbraw/zinc/69/96/02/678699602.db2.gz DIKIBVVLROMATO-LLVKDONJSA-N 1 1 324.385 -1.242 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cn1ccnc1 ZINC001057213738 678700265 /nfs/dbraw/zinc/70/02/65/678700265.db2.gz OAXYPBGDBRTICE-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001050005727 678700994 /nfs/dbraw/zinc/70/09/94/678700994.db2.gz BGCWHUFAJHCSJL-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001050005727 678700997 /nfs/dbraw/zinc/70/09/97/678700997.db2.gz BGCWHUFAJHCSJL-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001050028158 678701012 /nfs/dbraw/zinc/70/10/12/678701012.db2.gz SBJYSLIVUOYAIW-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001050028158 678701015 /nfs/dbraw/zinc/70/10/15/678701015.db2.gz SBJYSLIVUOYAIW-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050006572 678701020 /nfs/dbraw/zinc/70/10/20/678701020.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001050006572 678701022 /nfs/dbraw/zinc/70/10/22/678701022.db2.gz MROUKGBHWAADHK-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050020445 678701126 /nfs/dbraw/zinc/70/11/26/678701126.db2.gz AQQYAKLQURAQCZ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050020445 678701131 /nfs/dbraw/zinc/70/11/31/678701131.db2.gz AQQYAKLQURAQCZ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050025489 678701346 /nfs/dbraw/zinc/70/13/46/678701346.db2.gz DWOLHYMVRUGHKH-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001050025489 678701348 /nfs/dbraw/zinc/70/13/48/678701348.db2.gz DWOLHYMVRUGHKH-QWHCGFSZSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001050026502 678701435 /nfs/dbraw/zinc/70/14/35/678701435.db2.gz HUHLVPQUFCAEAC-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001050026502 678701438 /nfs/dbraw/zinc/70/14/38/678701438.db2.gz HUHLVPQUFCAEAC-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057244839 678703695 /nfs/dbraw/zinc/70/36/95/678703695.db2.gz CMGQHQIKSHCUKL-QWRGUYRKSA-N 1 1 314.386 -2.003 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001050049272 678704134 /nfs/dbraw/zinc/70/41/34/678704134.db2.gz XTSVBHUKWPXCLW-SDDRHHMPSA-N 1 1 319.369 -1.516 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057247069 678704153 /nfs/dbraw/zinc/70/41/53/678704153.db2.gz YXZLCXGSPYVJGN-UHFFFAOYSA-N 1 1 316.402 -1.471 20 0 DAADMO NC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001057247727 678704503 /nfs/dbraw/zinc/70/45/03/678704503.db2.gz HUCRWXFXYKUAAK-NXEZZACHSA-N 1 1 323.353 -1.674 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057246816 678704571 /nfs/dbraw/zinc/70/45/71/678704571.db2.gz QBZLJUSOXIGGGH-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050054344 678704872 /nfs/dbraw/zinc/70/48/72/678704872.db2.gz HVYUUOZINCVFKZ-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050054344 678704875 /nfs/dbraw/zinc/70/48/75/678704875.db2.gz HVYUUOZINCVFKZ-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001050063514 678705342 /nfs/dbraw/zinc/70/53/42/678705342.db2.gz MWSAEOBDFCENDB-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001050063514 678705344 /nfs/dbraw/zinc/70/53/44/678705344.db2.gz MWSAEOBDFCENDB-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001050081661 678705575 /nfs/dbraw/zinc/70/55/75/678705575.db2.gz MMSBYIMHOPOSKW-FRRDWIJNSA-N 1 1 323.397 -1.115 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057262909 678705998 /nfs/dbraw/zinc/70/59/98/678705998.db2.gz AIPCGZBBBKTBQD-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057262909 678706000 /nfs/dbraw/zinc/70/60/00/678706000.db2.gz AIPCGZBBBKTBQD-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263247 678706340 /nfs/dbraw/zinc/70/63/40/678706340.db2.gz GYJOMEDSCNWWPE-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263247 678706343 /nfs/dbraw/zinc/70/63/43/678706343.db2.gz GYJOMEDSCNWWPE-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050089707 678706476 /nfs/dbraw/zinc/70/64/76/678706476.db2.gz RIEWVRXEUJCQQO-NWDGAFQWSA-N 1 1 322.365 -1.136 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001050117747 678706721 /nfs/dbraw/zinc/70/67/21/678706721.db2.gz ODUFMGPZDPWZLL-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001050117747 678706722 /nfs/dbraw/zinc/70/67/22/678706722.db2.gz ODUFMGPZDPWZLL-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001050109842 678706931 /nfs/dbraw/zinc/70/69/31/678706931.db2.gz CRUWLEOLUZQVGU-MELADBBJSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116076 678707113 /nfs/dbraw/zinc/70/71/13/678707113.db2.gz NBBVLUHPRUPOOT-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116076 678707116 /nfs/dbraw/zinc/70/71/16/678707116.db2.gz NBBVLUHPRUPOOT-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001050172667 678707633 /nfs/dbraw/zinc/70/76/33/678707633.db2.gz MVAYZHDDOULXQD-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001050172667 678707636 /nfs/dbraw/zinc/70/76/36/678707636.db2.gz MVAYZHDDOULXQD-WDEREUQCSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050138405 678707664 /nfs/dbraw/zinc/70/76/64/678707664.db2.gz CTWFFFQZTGBYPU-WHOHXGKFSA-N 1 1 324.381 -1.573 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001050138405 678707667 /nfs/dbraw/zinc/70/76/67/678707667.db2.gz CTWFFFQZTGBYPU-WHOHXGKFSA-N 1 1 324.381 -1.573 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001050173230 678708112 /nfs/dbraw/zinc/70/81/12/678708112.db2.gz ZJQOHKXPLPHMAL-SDDRHHMPSA-N 1 1 321.385 -1.140 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197018 678708363 /nfs/dbraw/zinc/70/83/63/678708363.db2.gz BXKLGCNPKQTODP-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197018 678708366 /nfs/dbraw/zinc/70/83/66/678708366.db2.gz BXKLGCNPKQTODP-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001057496198 678724150 /nfs/dbraw/zinc/72/41/50/678724150.db2.gz ILZXQENEPLPLNO-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057587199 678730460 /nfs/dbraw/zinc/73/04/60/678730460.db2.gz ADWPLTXJFGOGKS-LLVKDONJSA-N 1 1 314.386 -1.718 20 0 DAADMO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848816 678732753 /nfs/dbraw/zinc/73/27/53/678732753.db2.gz PSUWWMFCYYWOCH-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848397 678732880 /nfs/dbraw/zinc/73/28/80/678732880.db2.gz HYAZYNPRARSJTK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001057632422 678733340 /nfs/dbraw/zinc/73/33/40/678733340.db2.gz OCJLQPZUWHZKPE-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cnccn2)C1 ZINC001057631867 678733442 /nfs/dbraw/zinc/73/34/42/678733442.db2.gz FHSNLFVOSJNFRS-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCOC2)C1 ZINC001057631859 678733468 /nfs/dbraw/zinc/73/34/68/678733468.db2.gz FEFHZJWNGDVJQF-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccn[nH]2)C1 ZINC001057632210 678733503 /nfs/dbraw/zinc/73/35/03/678733503.db2.gz JSYOWEYQQYVJET-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCOC2)C1 ZINC001057631857 678733533 /nfs/dbraw/zinc/73/35/33/678733533.db2.gz FEFHZJWNGDVJQF-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cn[nH]c2)C1 ZINC001057631581 678733716 /nfs/dbraw/zinc/73/37/16/678733716.db2.gz ACZLFSLQMLUJFH-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001057632837 678733757 /nfs/dbraw/zinc/73/37/57/678733757.db2.gz ZDQFQUISHQEHCT-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001057632159 678733799 /nfs/dbraw/zinc/73/37/99/678733799.db2.gz IHDCTCIIRJQZDP-SNVBAGLBSA-N 1 1 300.359 -2.249 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cn2cccn2)C1 ZINC001057632070 678733908 /nfs/dbraw/zinc/73/39/08/678733908.db2.gz GLMXLHVOZXXSJV-ZDUSSCGKSA-N 1 1 323.397 -1.228 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632830 678733936 /nfs/dbraw/zinc/73/39/36/678733936.db2.gz YWNCKGOJRIZQJZ-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001057636519 678734397 /nfs/dbraw/zinc/73/43/97/678734397.db2.gz SMQKDMCGAMDHCV-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001057636519 678734401 /nfs/dbraw/zinc/73/44/01/678734401.db2.gz SMQKDMCGAMDHCV-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001057636519 678734404 /nfs/dbraw/zinc/73/44/04/678734404.db2.gz SMQKDMCGAMDHCV-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001050858097 678734499 /nfs/dbraw/zinc/73/44/99/678734499.db2.gz DRNAQPONXFNKJW-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001050858097 678734501 /nfs/dbraw/zinc/73/45/01/678734501.db2.gz DRNAQPONXFNKJW-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001050858098 678734571 /nfs/dbraw/zinc/73/45/71/678734571.db2.gz DRNAQPONXFNKJW-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CCCO)C1 ZINC001050858098 678734574 /nfs/dbraw/zinc/73/45/74/678734574.db2.gz DRNAQPONXFNKJW-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO Cn1cncc1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057636600 678734583 /nfs/dbraw/zinc/73/45/83/678734583.db2.gz VCMLIBSZRIQGLI-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001057659475 678737249 /nfs/dbraw/zinc/73/72/49/678737249.db2.gz QXXZWMWTTYMRMC-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001057659475 678737251 /nfs/dbraw/zinc/73/72/51/678737251.db2.gz QXXZWMWTTYMRMC-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050922576 678737781 /nfs/dbraw/zinc/73/77/81/678737781.db2.gz DEVVBYUOHZZXIK-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1nccn1 ZINC001057698685 678740762 /nfs/dbraw/zinc/74/07/62/678740762.db2.gz JCADAPZKYAOBBE-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2CC(=O)N2CCC2)C1 ZINC001051241339 678750696 /nfs/dbraw/zinc/75/06/96/678750696.db2.gz LPMMMPLHKJERCN-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051242100 678750914 /nfs/dbraw/zinc/75/09/14/678750914.db2.gz QDDIXKYTLXJELE-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001051242296 678751409 /nfs/dbraw/zinc/75/14/09/678751409.db2.gz RUQGHSIAABWOOL-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO O=C(NC[C@@H]1COCC[N@@H+]1CC1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001051247912 678751429 /nfs/dbraw/zinc/75/14/29/678751429.db2.gz RABPCLJEXXCTFY-VXGBXAGGSA-N 1 1 317.411 -1.095 20 0 DAADMO O=C(NC[C@@H]1COCC[N@H+]1CC1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001051247912 678751432 /nfs/dbraw/zinc/75/14/32/678751432.db2.gz RABPCLJEXXCTFY-VXGBXAGGSA-N 1 1 317.411 -1.095 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051242956 678751457 /nfs/dbraw/zinc/75/14/57/678751457.db2.gz ZBMXIYQRHAIRQW-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001051250054 678751868 /nfs/dbraw/zinc/75/18/68/678751868.db2.gz JFNBICCDISPVQL-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001051250054 678751871 /nfs/dbraw/zinc/75/18/71/678751871.db2.gz JFNBICCDISPVQL-NWDGAFQWSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051251592 678752059 /nfs/dbraw/zinc/75/20/59/678752059.db2.gz PZLQHINOPTVDRA-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051251592 678752062 /nfs/dbraw/zinc/75/20/62/678752062.db2.gz PZLQHINOPTVDRA-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001051389269 678754142 /nfs/dbraw/zinc/75/41/42/678754142.db2.gz XOCFQHXGBUKSRR-GFCCVEGCSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001051405199 678754203 /nfs/dbraw/zinc/75/42/03/678754203.db2.gz PBGIORPEALXYLV-SNVBAGLBSA-N 1 1 318.341 -1.369 20 0 DAADMO CSCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051421998 678754538 /nfs/dbraw/zinc/75/45/38/678754538.db2.gz MNOUBEBRAOTSIJ-VIFPVBQESA-N 1 1 300.388 -1.110 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051422360 678754712 /nfs/dbraw/zinc/75/47/12/678754712.db2.gz XRMDPOMDHPZHQA-NSHDSACASA-N 1 1 318.341 -1.520 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001051423591 678755258 /nfs/dbraw/zinc/75/52/58/678755258.db2.gz UUYFCFYWLBEPQK-MNOVXSKESA-N 1 1 310.358 -1.294 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)o1 ZINC001051425637 678755321 /nfs/dbraw/zinc/75/53/21/678755321.db2.gz GDTIVQJGEJQTBF-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051426303 678755559 /nfs/dbraw/zinc/75/55/59/678755559.db2.gz LEYANYFCXGELCL-VIFPVBQESA-N 1 1 322.333 -2.786 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)cn1 ZINC001051423340 678755621 /nfs/dbraw/zinc/75/56/21/678755621.db2.gz GNAZXUCCVGELFG-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)no1 ZINC001051427028 678755661 /nfs/dbraw/zinc/75/56/61/678755661.db2.gz QHNYVCZTYYJWGW-LBPRGKRZSA-N 1 1 321.341 -1.013 20 0 DAADMO O=C([C@H]1COCCO1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051458299 678756060 /nfs/dbraw/zinc/75/60/60/678756060.db2.gz TXWHDJMXZRFRBN-NWDGAFQWSA-N 1 1 312.326 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001051457512 678756121 /nfs/dbraw/zinc/75/61/21/678756121.db2.gz NHRLNDPTILGKMT-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001051457066 678756262 /nfs/dbraw/zinc/75/62/62/678756262.db2.gz JTTNZUTXQLJPBK-VIFPVBQESA-N 1 1 307.314 -1.171 20 0 DAADMO O=C(c1ccn[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051456120 678756302 /nfs/dbraw/zinc/75/63/02/678756302.db2.gz VGQNVHOYLLWVSL-UWVGGRQHSA-N 1 1 321.337 -1.355 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001051463631 678756654 /nfs/dbraw/zinc/75/66/54/678756654.db2.gz XBUZRQIFOOQHAU-QMMMGPOBSA-N 1 1 324.370 -1.308 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001051463839 678756821 /nfs/dbraw/zinc/75/68/21/678756821.db2.gz ZWAWHPRAMBSKAC-QMMMGPOBSA-N 1 1 324.370 -1.308 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)nc1=O ZINC001051462722 678756989 /nfs/dbraw/zinc/75/69/89/678756989.db2.gz JXAMHQKTNVQJHX-JTQLQIEISA-N 1 1 321.341 -1.538 20 0 DAADMO CC[C@H](OC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051485060 678758325 /nfs/dbraw/zinc/75/83/25/678758325.db2.gz NPCMLQUYPJAJEC-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CC[C@H](OC)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051485059 678758513 /nfs/dbraw/zinc/75/85/13/678758513.db2.gz NPCMLQUYPJAJEC-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CC[C@@H](OC)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051485061 678758573 /nfs/dbraw/zinc/75/85/73/678758573.db2.gz NPCMLQUYPJAJEC-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001051493463 678758913 /nfs/dbraw/zinc/75/89/13/678758913.db2.gz LACRZTJKTADWCS-QWRGUYRKSA-N 1 1 324.385 -1.079 20 0 DAADMO Cn1nnc(CNC[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC001051493434 678758940 /nfs/dbraw/zinc/75/89/40/678758940.db2.gz KEWKKOOIMMIAJF-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051501363 678758947 /nfs/dbraw/zinc/75/89/47/678758947.db2.gz DKFDHNVEZWWIMQ-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC001051493433 678758972 /nfs/dbraw/zinc/75/89/72/678758972.db2.gz KEWKKOOIMMIAJF-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)c[nH]1 ZINC001051489948 678759001 /nfs/dbraw/zinc/75/90/01/678759001.db2.gz MZFLSMRLWVGIHT-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001051495059 678759138 /nfs/dbraw/zinc/75/91/38/678759138.db2.gz ZDOCAHJFKJNDAU-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC001051504819 678759666 /nfs/dbraw/zinc/75/96/66/678759666.db2.gz LIPYQGSELZAETL-PSASIEDQSA-N 1 1 310.358 -1.133 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051504548 678760055 /nfs/dbraw/zinc/76/00/55/678760055.db2.gz HSDSVURXSQWEDL-LLVKDONJSA-N 1 1 310.358 -1.510 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001051585857 678761069 /nfs/dbraw/zinc/76/10/69/678761069.db2.gz ZYCIWAOPDFEHNV-NXEZZACHSA-N 1 1 324.341 -1.760 20 0 DAADMO CO[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1)C1CC1 ZINC001051583931 678761093 /nfs/dbraw/zinc/76/10/93/678761093.db2.gz MAQGNHHLVVGFSC-AAEUAGOBSA-N 1 1 324.385 -1.048 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)CCO2)[nH]1 ZINC001051588444 678762034 /nfs/dbraw/zinc/76/20/34/678762034.db2.gz RTOYZONDLZJFTG-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051589121 678762041 /nfs/dbraw/zinc/76/20/41/678762041.db2.gz ZSNJDRUDJDARMJ-VHSXEESVSA-N 1 1 311.298 -1.505 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001051588328 678762074 /nfs/dbraw/zinc/76/20/74/678762074.db2.gz PVEPTBDQWDNRPF-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588738 678762142 /nfs/dbraw/zinc/76/21/42/678762142.db2.gz XIDVQRWETHQZEC-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cnnn3C)CCO2)n1 ZINC001051588327 678762263 /nfs/dbraw/zinc/76/22/63/678762263.db2.gz PVEPTBDQWDNRPF-LLVKDONJSA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ncn(C)n3)CCO2)[nH]1 ZINC001051596683 678762603 /nfs/dbraw/zinc/76/26/03/678762603.db2.gz ZFTQVMAXOPUKLT-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nncn3C)C2)nn1 ZINC001051593795 678762963 /nfs/dbraw/zinc/76/29/63/678762963.db2.gz BWROBDQDFKGQBA-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051605729 678763700 /nfs/dbraw/zinc/76/37/00/678763700.db2.gz JAUXTGHSEAMRPA-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001051617827 678764094 /nfs/dbraw/zinc/76/40/94/678764094.db2.gz ULMQVGVEBMSDKH-VIFPVBQESA-N 1 1 324.370 -1.458 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051616279 678764148 /nfs/dbraw/zinc/76/41/48/678764148.db2.gz HUKOFPSMADJHCH-SNVBAGLBSA-N 1 1 308.302 -1.927 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)o1 ZINC001051615415 678764225 /nfs/dbraw/zinc/76/42/25/678764225.db2.gz UPIHKBYZDCFTCN-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001051647029 678765405 /nfs/dbraw/zinc/76/54/05/678765405.db2.gz ITHBNYZWYYCZCI-PWSUYJOCSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001051663208 678765661 /nfs/dbraw/zinc/76/56/61/678765661.db2.gz BSRNBUHJVZTLDK-SNVBAGLBSA-N 1 1 324.385 -1.356 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051666988 678765934 /nfs/dbraw/zinc/76/59/34/678765934.db2.gz JQAYAMXSXZTVOD-NWDGAFQWSA-N 1 1 323.353 -1.087 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)[nH]1 ZINC001051664057 678765951 /nfs/dbraw/zinc/76/59/51/678765951.db2.gz IPQKNEDZXDUACT-JTQLQIEISA-N 1 1 324.385 -1.058 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)[nH]1 ZINC001051664058 678766159 /nfs/dbraw/zinc/76/61/59/678766159.db2.gz IPQKNEDZXDUACT-SNVBAGLBSA-N 1 1 324.385 -1.058 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)n1 ZINC001051663781 678766197 /nfs/dbraw/zinc/76/61/97/678766197.db2.gz GJXYWPXUIMQCIX-LLVKDONJSA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)nn1 ZINC001051664555 678766230 /nfs/dbraw/zinc/76/62/30/678766230.db2.gz LXCNTMCDHUHUJS-NSHDSACASA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001051663816 678766270 /nfs/dbraw/zinc/76/62/70/678766270.db2.gz HQECAHXSDNKKJR-SNVBAGLBSA-N 1 1 324.385 -1.356 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051666987 678766275 /nfs/dbraw/zinc/76/62/75/678766275.db2.gz JQAYAMXSXZTVOD-NEPJUHHUSA-N 1 1 323.353 -1.087 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1)c1nnnn1C ZINC001051698630 678766538 /nfs/dbraw/zinc/76/65/38/678766538.db2.gz XKBAVYLXLDWYGU-BDAKNGLRSA-N 1 1 321.345 -1.480 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696370 678766549 /nfs/dbraw/zinc/76/65/49/678766549.db2.gz PVUYKMXVCKESTO-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1)c1nnnn1C ZINC001051698633 678766642 /nfs/dbraw/zinc/76/66/42/678766642.db2.gz XKBAVYLXLDWYGU-IUCAKERBSA-N 1 1 321.345 -1.480 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051692453 678766686 /nfs/dbraw/zinc/76/66/86/678766686.db2.gz JCFFIMQEOKYUCC-PWSUYJOCSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)nn1 ZINC001051697585 678766726 /nfs/dbraw/zinc/76/67/26/678766726.db2.gz OGKOKCBPVGEQHN-JTQLQIEISA-N 1 1 306.330 -1.436 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1)c1nnnn1C ZINC001051698631 678766740 /nfs/dbraw/zinc/76/67/40/678766740.db2.gz XKBAVYLXLDWYGU-DTWKUNHWSA-N 1 1 321.345 -1.480 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051692450 678766806 /nfs/dbraw/zinc/76/68/06/678766806.db2.gz JCFFIMQEOKYUCC-CMPLNLGQSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051703395 678767319 /nfs/dbraw/zinc/76/73/19/678767319.db2.gz XRXQRFMPOBRQSB-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752109 678768566 /nfs/dbraw/zinc/76/85/66/678768566.db2.gz DEYQNIHFTZWBRZ-VXGBXAGGSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051749178 678768866 /nfs/dbraw/zinc/76/88/66/678768866.db2.gz BISZIURNLOUJMY-LLVKDONJSA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753186 678769527 /nfs/dbraw/zinc/76/95/27/678769527.db2.gz XRMCDUIWDMERRV-WDEREUQCSA-N 1 1 323.353 -1.169 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nn1 ZINC001051752898 678769594 /nfs/dbraw/zinc/76/95/94/678769594.db2.gz RTJSPOXOKIQZAW-VXGBXAGGSA-N 1 1 322.369 -1.732 20 0 DAADMO CCc1nc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc(C)[nH+]1 ZINC001051765878 678769918 /nfs/dbraw/zinc/76/99/18/678769918.db2.gz DLPKIAJZFAHBLO-ZJUUUORDSA-N 1 1 307.354 -1.111 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774486 678771005 /nfs/dbraw/zinc/77/10/05/678771005.db2.gz YFIHWOKMKPISKX-VIFPVBQESA-N 1 1 322.329 -1.468 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)n1 ZINC001051774679 678771066 /nfs/dbraw/zinc/77/10/66/678771066.db2.gz ZRTMDNPGZXEWJS-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ncccn3)C2)n1 ZINC001051772884 678771179 /nfs/dbraw/zinc/77/11/79/678771179.db2.gz MFPVAORVNGZTKH-JTQLQIEISA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051774153 678771203 /nfs/dbraw/zinc/77/12/03/678771203.db2.gz UKPOROCSKGTGSH-VIFPVBQESA-N 1 1 308.302 -1.776 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051791442 678771481 /nfs/dbraw/zinc/77/14/81/678771481.db2.gz AHCDCIXHZHMZFL-WDEREUQCSA-N 1 1 309.326 -1.327 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791614 678771559 /nfs/dbraw/zinc/77/15/59/678771559.db2.gz CSHMGDMZHSPDRI-VHSXEESVSA-N 1 1 323.357 -2.187 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001051783576 678771649 /nfs/dbraw/zinc/77/16/49/678771649.db2.gz JYMXVBCAZCEYRA-LLVKDONJSA-N 1 1 321.341 -1.242 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791715 678771767 /nfs/dbraw/zinc/77/17/67/678771767.db2.gz DLPKKOASFFDFAV-IUCAKERBSA-N 1 1 324.345 -2.792 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791714 678771781 /nfs/dbraw/zinc/77/17/81/678771781.db2.gz DLPKKOASFFDFAV-DTWKUNHWSA-N 1 1 324.345 -2.792 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nn1 ZINC001051792432 678771829 /nfs/dbraw/zinc/77/18/29/678771829.db2.gz LSCUGRDVWLSYCK-MNOVXSKESA-N 1 1 323.357 -2.187 20 0 DAADMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793946 678771980 /nfs/dbraw/zinc/77/19/80/678771980.db2.gz XWUCPMFCMFZXRI-CMPLNLGQSA-N 1 1 323.353 -1.019 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)n1 ZINC001051793029 678772071 /nfs/dbraw/zinc/77/20/71/678772071.db2.gz RPXKITCLDATKCQ-WDEREUQCSA-N 1 1 323.357 -2.187 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001051793553 678772122 /nfs/dbraw/zinc/77/21/22/678772122.db2.gz BQVFRKAFCGPYJL-SECBINFHSA-N 1 1 314.321 -1.950 20 0 DAADMO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)no1 ZINC001051793269 678772203 /nfs/dbraw/zinc/77/22/03/678772203.db2.gz UJMWNOPCGXYFSJ-RYUDHWBXSA-N 1 1 323.353 -1.019 20 0 DAADMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)co1 ZINC001051792610 678772211 /nfs/dbraw/zinc/77/22/11/678772211.db2.gz NKRSXZJDSVJFHQ-RYUDHWBXSA-N 1 1 323.353 -1.019 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)no1 ZINC001051793250 678772253 /nfs/dbraw/zinc/77/22/53/678772253.db2.gz UJMWNOPCGXYFSJ-NEPJUHHUSA-N 1 1 323.353 -1.019 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051793002 678772320 /nfs/dbraw/zinc/77/23/20/678772320.db2.gz RMUOTESMUDIQKS-MNOVXSKESA-N 1 1 320.353 -1.525 20 0 DAADMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793947 678772333 /nfs/dbraw/zinc/77/23/33/678772333.db2.gz XWUCPMFCMFZXRI-JQWIXIFHSA-N 1 1 323.353 -1.019 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nn1 ZINC001051792436 678772337 /nfs/dbraw/zinc/77/23/37/678772337.db2.gz LSCUGRDVWLSYCK-WDEREUQCSA-N 1 1 323.357 -2.187 20 0 DAADMO NC(=O)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001051793732 678772347 /nfs/dbraw/zinc/77/23/47/678772347.db2.gz CHLNGSOERBGQSM-SECBINFHSA-N 1 1 324.341 -2.389 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051793005 678772360 /nfs/dbraw/zinc/77/23/60/678772360.db2.gz RMUOTESMUDIQKS-WDEREUQCSA-N 1 1 320.353 -1.525 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2CCF)C1 ZINC001051793559 678772373 /nfs/dbraw/zinc/77/23/73/678772373.db2.gz BQVFRKAFCGPYJL-VIFPVBQESA-N 1 1 314.321 -1.950 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2noc3c2COCC3)C1 ZINC001051794868 678772834 /nfs/dbraw/zinc/77/28/34/678772834.db2.gz VMCVHONGDMQMEQ-VIFPVBQESA-N 1 1 324.337 -1.450 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794845 678772866 /nfs/dbraw/zinc/77/28/66/678772866.db2.gz UNBPWULBOFNDKF-JTQLQIEISA-N 1 1 310.358 -1.591 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794619 678772974 /nfs/dbraw/zinc/77/29/74/678772974.db2.gz PVSIAEXMLNKQHV-DTWKUNHWSA-N 1 1 310.358 -1.270 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794061 678773035 /nfs/dbraw/zinc/77/30/35/678773035.db2.gz GQIZVVGLGKBAHY-SNVBAGLBSA-N 1 1 310.358 -1.339 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794233 678773078 /nfs/dbraw/zinc/77/30/78/678773078.db2.gz IPHDFDXRIICMJS-JTQLQIEISA-N 1 1 324.385 -1.165 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794620 678773104 /nfs/dbraw/zinc/77/31/04/678773104.db2.gz PVSIAEXMLNKQHV-IUCAKERBSA-N 1 1 310.358 -1.270 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001051794792 678773154 /nfs/dbraw/zinc/77/31/54/678773154.db2.gz SKVHUPPKNWPCQK-VIFPVBQESA-N 1 1 309.330 -2.190 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC001051795284 678773462 /nfs/dbraw/zinc/77/34/62/678773462.db2.gz DCTUHVBTMWCPPA-JTQLQIEISA-N 1 1 324.385 -1.259 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC001051795029 678773542 /nfs/dbraw/zinc/77/35/42/678773542.db2.gz YPZPLIMMZKRVLV-LLVKDONJSA-N 1 1 324.385 -1.165 20 0 DAADMO NC(=O)C1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC001051797414 678773550 /nfs/dbraw/zinc/77/35/50/678773550.db2.gz AGNPWHXEFZIREO-JTQLQIEISA-N 1 1 309.326 -1.348 20 0 DAADMO COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794953 678773784 /nfs/dbraw/zinc/77/37/84/678773784.db2.gz XJQMLBDWNVCHBN-SECBINFHSA-N 1 1 314.367 -1.046 20 0 DAADMO CN1CC(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)=NC1=O ZINC001051803107 678774157 /nfs/dbraw/zinc/77/41/57/678774157.db2.gz JCFMIPDQKOYELR-UWVGGRQHSA-N 1 1 323.353 -1.555 20 0 DAADMO CN1CC(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)=NC1=O ZINC001051803108 678774431 /nfs/dbraw/zinc/77/44/31/678774431.db2.gz JCFMIPDQKOYELR-VHSXEESVSA-N 1 1 323.353 -1.555 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051833461 678775010 /nfs/dbraw/zinc/77/50/10/678775010.db2.gz ZFGBFTYLVSJRPR-VXGBXAGGSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051833461 678775013 /nfs/dbraw/zinc/77/50/13/678775013.db2.gz ZFGBFTYLVSJRPR-VXGBXAGGSA-N 1 1 322.369 -1.557 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nn1 ZINC001051827305 678775078 /nfs/dbraw/zinc/77/50/78/678775078.db2.gz KQJDMNXITUKNGY-UTUOFQBUSA-N 1 1 322.369 -1.747 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051827592 678775130 /nfs/dbraw/zinc/77/51/30/678775130.db2.gz OJKYFBBUVGDBSC-TUAOUCFPSA-N 1 1 319.365 -1.085 20 0 DAADMO C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051832380 678775140 /nfs/dbraw/zinc/77/51/40/678775140.db2.gz MIZBCUMUFDIPQC-WZRBSPASSA-N 1 1 324.385 -1.048 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051867370 678775753 /nfs/dbraw/zinc/77/57/53/678775753.db2.gz IDEVFECOGNVGRS-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051869979 678776507 /nfs/dbraw/zinc/77/65/07/678776507.db2.gz ZWGDZXSNAGYHEA-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001051871223 678776516 /nfs/dbraw/zinc/77/65/16/678776516.db2.gz VEWXVKPTHXUBHK-JTQLQIEISA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001051867559 678776588 /nfs/dbraw/zinc/77/65/88/678776588.db2.gz LTADALCTLVZLGW-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051869992 678776749 /nfs/dbraw/zinc/77/67/49/678776749.db2.gz DDGYDQYENYOYHL-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)nn1 ZINC001051872532 678776765 /nfs/dbraw/zinc/77/67/65/678776765.db2.gz LAEGFYKZZBAJKG-SNVBAGLBSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051870146 678776956 /nfs/dbraw/zinc/77/69/56/678776956.db2.gz HAXPLGAFJLAQAY-QMMMGPOBSA-N 1 1 307.318 -2.041 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)[nH]1 ZINC001051871937 678776968 /nfs/dbraw/zinc/77/69/68/678776968.db2.gz CDPSPTVXLIQWHJ-VIFPVBQESA-N 1 1 306.330 -1.138 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1)c1nnnn1C ZINC001051876291 678777568 /nfs/dbraw/zinc/77/75/68/678777568.db2.gz KTSSHYVNEDEQKO-RKDXNWHRSA-N 1 1 322.329 -1.215 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC001051908525 678778828 /nfs/dbraw/zinc/77/88/28/678778828.db2.gz JMFAEQPORUOAOG-RYUDHWBXSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)n1 ZINC001051929470 678779586 /nfs/dbraw/zinc/77/95/86/678779586.db2.gz BVGCFPJFXPUIDK-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3cncn3)CCO2)n1 ZINC001051924167 678779642 /nfs/dbraw/zinc/77/96/42/678779642.db2.gz HRCRNOPYUKRUSE-LBPRGKRZSA-N 1 1 320.357 -1.576 20 0 DAADMO O=C(CN1CCCC1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051931621 678779888 /nfs/dbraw/zinc/77/98/88/678779888.db2.gz AFQNMMYNJZCZOT-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCCC1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051931619 678780065 /nfs/dbraw/zinc/78/00/65/678780065.db2.gz AFQNMMYNJZCZOT-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO CC(=O)N1CC[C@H]([NH+]2CCN(Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC001051960870 678781291 /nfs/dbraw/zinc/78/12/91/678781291.db2.gz PFVCXSITCARWBC-LBPRGKRZSA-N 1 1 308.386 -1.153 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051977782 678782029 /nfs/dbraw/zinc/78/20/29/678782029.db2.gz FZTLVNYGWFEHEB-GFCCVEGCSA-N 1 1 311.365 -1.139 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052073692 678784997 /nfs/dbraw/zinc/78/49/97/678784997.db2.gz MOWFKDTYZCSHCH-NEPJUHHUSA-N 1 1 313.377 -1.144 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001052073693 678785356 /nfs/dbraw/zinc/78/53/56/678785356.db2.gz MOWFKDTYZCSHCH-NWDGAFQWSA-N 1 1 313.377 -1.144 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001052074347 678785985 /nfs/dbraw/zinc/78/59/85/678785985.db2.gz AWQZCDBPDSCPOA-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116968 678786682 /nfs/dbraw/zinc/78/66/82/678786682.db2.gz CHISSVMQWSKQPQ-UONOGXRCSA-N 1 1 323.441 -1.358 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184807 678787379 /nfs/dbraw/zinc/78/73/79/678787379.db2.gz RKCAOKDPEQCZTG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052186696 678787478 /nfs/dbraw/zinc/78/74/78/678787478.db2.gz JRHUMZQYJAXMHJ-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001052184569 678787521 /nfs/dbraw/zinc/78/75/21/678787521.db2.gz MQYLUWOFIOPSPU-NWDGAFQWSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052326012 678789254 /nfs/dbraw/zinc/78/92/54/678789254.db2.gz WEFMGCHTUKZURY-QWRGUYRKSA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052378342 678789265 /nfs/dbraw/zinc/78/92/65/678789265.db2.gz IJFDPDUMBITNGR-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052325188 678789474 /nfs/dbraw/zinc/78/94/74/678789474.db2.gz HGJKRYYEMOFTQQ-UWVGGRQHSA-N 1 1 310.358 -1.172 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052313753 678789484 /nfs/dbraw/zinc/78/94/84/678789484.db2.gz CJPBXFPHCIBNPH-SNVBAGLBSA-N 1 1 310.358 -1.300 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052325189 678789527 /nfs/dbraw/zinc/78/95/27/678789527.db2.gz HGJKRYYEMOFTQQ-VHSXEESVSA-N 1 1 310.358 -1.172 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)CC[N@H+]1C ZINC001057745953 678789547 /nfs/dbraw/zinc/78/95/47/678789547.db2.gz IYANSRCHCBODMN-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052380173 678789753 /nfs/dbraw/zinc/78/97/53/678789753.db2.gz UQCSKAHGOQSGPQ-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052394122 678790227 /nfs/dbraw/zinc/79/02/27/678790227.db2.gz VBDYTVYBUKPLIT-VIFPVBQESA-N 1 1 323.357 -2.167 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001052425328 678790798 /nfs/dbraw/zinc/79/07/98/678790798.db2.gz YJZGLNDYAUVDDY-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052455399 678791294 /nfs/dbraw/zinc/79/12/94/678791294.db2.gz VNTQBTBOXPFJSU-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)CC1 ZINC001052447913 678791333 /nfs/dbraw/zinc/79/13/33/678791333.db2.gz PPXXCNIFGRNDKP-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(N)=O)C1 ZINC001052640429 678792763 /nfs/dbraw/zinc/79/27/63/678792763.db2.gz HZZYIJAWYRIBRX-KOLCDFICSA-N 1 1 307.354 -1.112 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)n1 ZINC001052633346 678792899 /nfs/dbraw/zinc/79/28/99/678792899.db2.gz NCDVDNJLDCQWPV-ZJUUUORDSA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001052621673 678792932 /nfs/dbraw/zinc/79/29/32/678792932.db2.gz GBTSFINAAYOTLH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)n1 ZINC001052633332 678793070 /nfs/dbraw/zinc/79/30/70/678793070.db2.gz NCDVDNJLDCQWPV-NXEZZACHSA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)CC(=O)NCCN(CCO)C(=O)C[N@@H+](C)C(C)C ZINC001057863520 678796651 /nfs/dbraw/zinc/79/66/51/678796651.db2.gz VKBNNKQKINGRIE-UHFFFAOYSA-N 1 1 316.402 -1.600 20 0 DAADMO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CCC1 ZINC001057874876 678797096 /nfs/dbraw/zinc/79/70/96/678797096.db2.gz DHFJRRRNUDZEOO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)c1cn[nH]n1)C1CCC1 ZINC001057903839 678798455 /nfs/dbraw/zinc/79/84/55/678798455.db2.gz ZPKZBEFTEUSHNR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+](CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1)C1CCC1 ZINC001057903839 678798456 /nfs/dbraw/zinc/79/84/56/678798456.db2.gz ZPKZBEFTEUSHNR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1)C1CCC1 ZINC001057903839 678798457 /nfs/dbraw/zinc/79/84/57/678798457.db2.gz ZPKZBEFTEUSHNR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)O1 ZINC001057973283 678800407 /nfs/dbraw/zinc/80/04/07/678800407.db2.gz SOAUJEMJAQYEIG-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)C(F)F)O1 ZINC001057973283 678800409 /nfs/dbraw/zinc/80/04/09/678800409.db2.gz SOAUJEMJAQYEIG-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058038892 678803203 /nfs/dbraw/zinc/80/32/03/678803203.db2.gz JNPBFMFGZWSNMJ-LBPRGKRZSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058038892 678803207 /nfs/dbraw/zinc/80/32/07/678803207.db2.gz JNPBFMFGZWSNMJ-LBPRGKRZSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058038892 678803211 /nfs/dbraw/zinc/80/32/11/678803211.db2.gz JNPBFMFGZWSNMJ-LBPRGKRZSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001058158003 678809637 /nfs/dbraw/zinc/80/96/37/678809637.db2.gz MXSDJSBBXPGROE-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058158003 678809638 /nfs/dbraw/zinc/80/96/38/678809638.db2.gz MXSDJSBBXPGROE-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058158003 678809640 /nfs/dbraw/zinc/80/96/40/678809640.db2.gz MXSDJSBBXPGROE-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058158003 678809642 /nfs/dbraw/zinc/80/96/42/678809642.db2.gz MXSDJSBBXPGROE-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058158003 678809645 /nfs/dbraw/zinc/80/96/45/678809645.db2.gz MXSDJSBBXPGROE-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001058158058 678809649 /nfs/dbraw/zinc/80/96/49/678809649.db2.gz OQKCGSBCQGQHJD-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058158058 678809651 /nfs/dbraw/zinc/80/96/51/678809651.db2.gz OQKCGSBCQGQHJD-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058158058 678809654 /nfs/dbraw/zinc/80/96/54/678809654.db2.gz OQKCGSBCQGQHJD-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001058230811 678811194 /nfs/dbraw/zinc/81/11/94/678811194.db2.gz JCVLBAKVXONUQC-JVWICGRDSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058390665 678819343 /nfs/dbraw/zinc/81/93/43/678819343.db2.gz RSGUKWGZIMKJST-LLVKDONJSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[C@@H](CNC(=O)C(N)=O)O2 ZINC001068615543 678832048 /nfs/dbraw/zinc/83/20/48/678832048.db2.gz ZXRMBHBYNPJTPE-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001068778431 678836614 /nfs/dbraw/zinc/83/66/14/678836614.db2.gz FXMVXFGUTNZTRD-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068783404 678837863 /nfs/dbraw/zinc/83/78/63/678837863.db2.gz CVEUHIDBDQJEBV-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cnn[nH]1)CO2 ZINC001068920106 678839442 /nfs/dbraw/zinc/83/94/42/678839442.db2.gz UHKCZOGVANEFSL-SNVBAGLBSA-N 1 1 322.369 -1.144 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001068992894 678840534 /nfs/dbraw/zinc/84/05/34/678840534.db2.gz QGWUTAFVUOKEDE-JTQLQIEISA-N 1 1 312.370 -1.702 20 0 DAADMO CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1ccnn1 ZINC001069887898 678845044 /nfs/dbraw/zinc/84/50/44/678845044.db2.gz VVFKVZDARFSRDB-NEPJUHHUSA-N 1 1 320.353 -1.212 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1ccnn1 ZINC001069887898 678845048 /nfs/dbraw/zinc/84/50/48/678845048.db2.gz VVFKVZDARFSRDB-NEPJUHHUSA-N 1 1 320.353 -1.212 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCc2cnn3c2CN(CC(N)=O)CC3)C1 ZINC001069882781 678845301 /nfs/dbraw/zinc/84/53/01/678845301.db2.gz ZVNFKEUFOXUDCZ-LLVKDONJSA-N 1 1 320.397 -1.248 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001069887833 678845320 /nfs/dbraw/zinc/84/53/20/678845320.db2.gz SKOFXNASXTWZHC-MJBXVCDLSA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069894320 678845368 /nfs/dbraw/zinc/84/53/68/678845368.db2.gz OOMBNWAUSUCUSM-NEPJUHHUSA-N 1 1 322.369 -1.766 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069894320 678845373 /nfs/dbraw/zinc/84/53/73/678845373.db2.gz OOMBNWAUSUCUSM-NEPJUHHUSA-N 1 1 322.369 -1.766 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1COCCO1 ZINC001069898315 678845676 /nfs/dbraw/zinc/84/56/76/678845676.db2.gz HPXDCGFCNNIKBF-GRYCIOLGSA-N 1 1 311.342 -1.973 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1COCCO1 ZINC001069898315 678845679 /nfs/dbraw/zinc/84/56/79/678845679.db2.gz HPXDCGFCNNIKBF-GRYCIOLGSA-N 1 1 311.342 -1.973 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC(=O)N1 ZINC001069903349 678845861 /nfs/dbraw/zinc/84/58/61/678845861.db2.gz RPJLYOJDJCRTKO-MXWKQRLJSA-N 1 1 308.342 -2.110 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC(=O)N1 ZINC001069903349 678845864 /nfs/dbraw/zinc/84/58/64/678845864.db2.gz RPJLYOJDJCRTKO-MXWKQRLJSA-N 1 1 308.342 -2.110 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001069902548 678846162 /nfs/dbraw/zinc/84/61/62/678846162.db2.gz CLTUGJDCCWLGMC-AGIUHOORSA-N 1 1 308.386 -1.294 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069921586 678846430 /nfs/dbraw/zinc/84/64/30/678846430.db2.gz PCIDZPPADUZMRV-PWSUYJOCSA-N 1 1 320.357 -1.463 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069921586 678846434 /nfs/dbraw/zinc/84/64/34/678846434.db2.gz PCIDZPPADUZMRV-PWSUYJOCSA-N 1 1 320.357 -1.463 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)o1 ZINC001069920473 678846561 /nfs/dbraw/zinc/84/65/61/678846561.db2.gz OSFNIEKHYOIHFI-MNOVXSKESA-N 1 1 321.341 -1.454 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)o1 ZINC001069920473 678846566 /nfs/dbraw/zinc/84/65/66/678846566.db2.gz OSFNIEKHYOIHFI-MNOVXSKESA-N 1 1 321.341 -1.454 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069917361 678846775 /nfs/dbraw/zinc/84/67/75/678846775.db2.gz OHVFUEHARQKFKP-VWYCJHECSA-N 1 1 324.341 -1.626 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069917361 678846777 /nfs/dbraw/zinc/84/67/77/678846777.db2.gz OHVFUEHARQKFKP-VWYCJHECSA-N 1 1 324.341 -1.626 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](n2ccnn2)C1 ZINC001069929048 678847134 /nfs/dbraw/zinc/84/71/34/678847134.db2.gz RFMBEKWCKNVOCY-NEPJUHHUSA-N 1 1 319.373 -1.038 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069929052 678847372 /nfs/dbraw/zinc/84/73/72/678847372.db2.gz RHZDVJDIONVXQE-ZJUUUORDSA-N 1 1 307.318 -2.701 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069929052 678847375 /nfs/dbraw/zinc/84/73/75/678847375.db2.gz RHZDVJDIONVXQE-ZJUUUORDSA-N 1 1 307.318 -2.701 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069929116 678847387 /nfs/dbraw/zinc/84/73/87/678847387.db2.gz VYCHAJAZWCCOIT-MNOVXSKESA-N 1 1 321.345 -2.311 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069939041 678847690 /nfs/dbraw/zinc/84/76/90/678847690.db2.gz VDJSUBCQQKPZHA-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945038 678848085 /nfs/dbraw/zinc/84/80/85/678848085.db2.gz CTRVGXFNLQNFPT-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069945038 678848090 /nfs/dbraw/zinc/84/80/90/678848090.db2.gz CTRVGXFNLQNFPT-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069971773 678848599 /nfs/dbraw/zinc/84/85/99/678848599.db2.gz GTDHYLXXQUESNF-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069971773 678848603 /nfs/dbraw/zinc/84/86/03/678848603.db2.gz GTDHYLXXQUESNF-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)co1 ZINC001069989137 678848838 /nfs/dbraw/zinc/84/88/38/678848838.db2.gz BYDNQTJVIGTYKE-KOLCDFICSA-N 1 1 322.325 -1.078 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)co1 ZINC001069989137 678848841 /nfs/dbraw/zinc/84/88/41/678848841.db2.gz BYDNQTJVIGTYKE-KOLCDFICSA-N 1 1 322.325 -1.078 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CNC(=O)C1 ZINC001069986921 678848935 /nfs/dbraw/zinc/84/89/35/678848935.db2.gz JPFYJQREEMSEQX-UHIISALHSA-N 1 1 322.369 -1.862 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CNC(=O)C1 ZINC001069986921 678848936 /nfs/dbraw/zinc/84/89/36/678848936.db2.gz JPFYJQREEMSEQX-UHIISALHSA-N 1 1 322.369 -1.862 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070000856 678849332 /nfs/dbraw/zinc/84/93/32/678849332.db2.gz RTUFFDGEKGZHDG-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070000856 678849337 /nfs/dbraw/zinc/84/93/37/678849337.db2.gz RTUFFDGEKGZHDG-NEPJUHHUSA-N 1 1 319.369 -1.032 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)NC1=O ZINC001069995028 678849565 /nfs/dbraw/zinc/84/95/65/678849565.db2.gz DOJVMDDMVISOJS-MXWKQRLJSA-N 1 1 323.357 -2.365 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)NC1=O ZINC001069995028 678849571 /nfs/dbraw/zinc/84/95/71/678849571.db2.gz DOJVMDDMVISOJS-MXWKQRLJSA-N 1 1 323.357 -2.365 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001069994974 678849816 /nfs/dbraw/zinc/84/98/16/678849816.db2.gz BNBXBKBKCWVWBY-IEBDPFPHSA-N 1 1 320.357 -1.259 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001069994974 678849817 /nfs/dbraw/zinc/84/98/17/678849817.db2.gz BNBXBKBKCWVWBY-IEBDPFPHSA-N 1 1 320.357 -1.259 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012614 678850086 /nfs/dbraw/zinc/85/00/86/678850086.db2.gz FPAGXUQUKIWZAN-AXFHLTTASA-N 1 1 307.358 -1.289 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1)OC ZINC001070014149 678850968 /nfs/dbraw/zinc/85/09/68/678850968.db2.gz YTJMYTHIZBLINL-MXWKQRLJSA-N 1 1 310.358 -1.470 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070013673 678851105 /nfs/dbraw/zinc/85/11/05/678851105.db2.gz AYZVYGQBVOXWBU-UTUOFQBUSA-N 1 1 322.369 -1.326 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070038011 678851543 /nfs/dbraw/zinc/85/15/43/678851543.db2.gz FRXBERIHVKNUQG-UHTWSYAYSA-N 1 1 319.369 -1.034 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070026657 678852050 /nfs/dbraw/zinc/85/20/50/678852050.db2.gz FKLAXXFXAHZTPI-KXNHARMFSA-N 1 1 322.369 -1.877 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070051560 678852263 /nfs/dbraw/zinc/85/22/63/678852263.db2.gz BRKXPSRNOWZIBO-TUAOUCFPSA-N 1 1 322.369 -1.719 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070051560 678852266 /nfs/dbraw/zinc/85/22/66/678852266.db2.gz BRKXPSRNOWZIBO-TUAOUCFPSA-N 1 1 322.369 -1.719 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070049440 678852656 /nfs/dbraw/zinc/85/26/56/678852656.db2.gz KSWRRPRTLZVPRU-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070049440 678852660 /nfs/dbraw/zinc/85/26/60/678852660.db2.gz KSWRRPRTLZVPRU-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070091503 678853522 /nfs/dbraw/zinc/85/35/22/678853522.db2.gz PCTALNRWVDVQNZ-NEPJUHHUSA-N 1 1 320.357 -1.706 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070076534 678853563 /nfs/dbraw/zinc/85/35/63/678853563.db2.gz RKFZVQVLLZLVQX-MCIONIFRSA-N 1 1 322.413 -1.046 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070109188 678854716 /nfs/dbraw/zinc/85/47/16/678854716.db2.gz JYRYGUVVFNOCLN-NEPJUHHUSA-N 1 1 305.342 -1.491 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070109188 678854720 /nfs/dbraw/zinc/85/47/20/678854720.db2.gz JYRYGUVVFNOCLN-NEPJUHHUSA-N 1 1 305.342 -1.491 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070109225 678854788 /nfs/dbraw/zinc/85/47/88/678854788.db2.gz MGVYVIUMYKLYCZ-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070158675 678856753 /nfs/dbraw/zinc/85/67/53/678856753.db2.gz UQYAPDJMEUVYFN-UPJWGTAASA-N 1 1 308.386 -1.294 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070158917 678856993 /nfs/dbraw/zinc/85/69/93/678856993.db2.gz WZKLRKJOVGWYQB-UTUOFQBUSA-N 1 1 321.385 -1.801 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070158917 678857001 /nfs/dbraw/zinc/85/70/01/678857001.db2.gz WZKLRKJOVGWYQB-UTUOFQBUSA-N 1 1 321.385 -1.801 20 0 DAADMO CN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070158673 678857085 /nfs/dbraw/zinc/85/70/85/678857085.db2.gz UQYAPDJMEUVYFN-AGIUHOORSA-N 1 1 308.386 -1.294 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070169065 678857879 /nfs/dbraw/zinc/85/78/79/678857879.db2.gz HTBILEIXOKXLOB-UHFFFAOYSA-N 1 1 323.353 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227650 678860692 /nfs/dbraw/zinc/86/06/92/678860692.db2.gz LYKOKZFSBBOXBK-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070228796 678861253 /nfs/dbraw/zinc/86/12/53/678861253.db2.gz OGUMMKQFMFDEIW-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070262795 678863067 /nfs/dbraw/zinc/86/30/67/678863067.db2.gz LFRBDMKKTVFIRC-MNOVXSKESA-N 1 1 318.341 -1.961 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070264246 678863160 /nfs/dbraw/zinc/86/31/60/678863160.db2.gz DSUFMURZXWOEIW-ZJUUUORDSA-N 1 1 321.366 -1.238 20 0 DAADMO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001070308808 678864499 /nfs/dbraw/zinc/86/44/99/678864499.db2.gz IMPHAVVIJAAJET-MXWKQRLJSA-N 1 1 320.357 -1.639 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCNC1=O ZINC001070419943 678866770 /nfs/dbraw/zinc/86/67/70/678866770.db2.gz LVUSSGPUPPBDFG-ZYHUDNBSSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001070585514 678869331 /nfs/dbraw/zinc/86/93/31/678869331.db2.gz DDXYINVCKAAXPA-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001070585514 678869333 /nfs/dbraw/zinc/86/93/33/678869333.db2.gz DDXYINVCKAAXPA-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cncc1[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CCO ZINC001070709754 678872072 /nfs/dbraw/zinc/87/20/72/678872072.db2.gz RNQMVQFWOBGPGM-GHMZBOCLSA-N 1 1 319.369 -1.343 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070918148 678875178 /nfs/dbraw/zinc/87/51/78/678875178.db2.gz UUDCTVWUAAOFBS-TUAOUCFPSA-N 1 1 322.365 -1.012 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070919761 678875308 /nfs/dbraw/zinc/87/53/08/678875308.db2.gz TXALMPPIOWFKBD-BBBLOLIVSA-N 1 1 312.326 -2.430 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070919761 678875312 /nfs/dbraw/zinc/87/53/12/678875312.db2.gz TXALMPPIOWFKBD-BBBLOLIVSA-N 1 1 312.326 -2.430 20 0 DAADMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001070919380 678875324 /nfs/dbraw/zinc/87/53/24/678875324.db2.gz HSIPVGCXIFCOMM-AXFHLTTASA-N 1 1 310.354 -1.014 20 0 DAADMO CC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001070928366 678875661 /nfs/dbraw/zinc/87/56/61/678875661.db2.gz XHHYTGQMDGYLLU-AWEZNQCLSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(=O)N1CCC(=O)NCC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001070928366 678875665 /nfs/dbraw/zinc/87/56/65/678875665.db2.gz XHHYTGQMDGYLLU-AWEZNQCLSA-N 1 1 323.397 -1.086 20 0 DAADMO CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001070938173 678876659 /nfs/dbraw/zinc/87/66/59/678876659.db2.gz HFXVFYDARWIDHB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001070938173 678876661 /nfs/dbraw/zinc/87/66/61/678876661.db2.gz HFXVFYDARWIDHB-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948537 678876934 /nfs/dbraw/zinc/87/69/34/678876934.db2.gz QJVNTBPQWRISKM-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CO[C@H](C)C[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001070948537 678876939 /nfs/dbraw/zinc/87/69/39/678876939.db2.gz QJVNTBPQWRISKM-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070950285 678877143 /nfs/dbraw/zinc/87/71/43/678877143.db2.gz RJBXNKKOPQIZTB-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070950285 678877146 /nfs/dbraw/zinc/87/71/46/678877146.db2.gz RJBXNKKOPQIZTB-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001070957535 678878008 /nfs/dbraw/zinc/87/80/08/678878008.db2.gz KGKCHLDZLQICPK-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001070957535 678878011 /nfs/dbraw/zinc/87/80/11/678878011.db2.gz KGKCHLDZLQICPK-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001070980133 678879215 /nfs/dbraw/zinc/87/92/15/678879215.db2.gz RCKNTTVKLBIFRA-UHFFFAOYSA-N 1 1 323.397 -1.166 20 0 DAADMO CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070988214 678879967 /nfs/dbraw/zinc/87/99/67/678879967.db2.gz MIRWZVHXTFAQLG-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070988214 678879971 /nfs/dbraw/zinc/87/99/71/678879971.db2.gz MIRWZVHXTFAQLG-UHFFFAOYSA-N 1 1 309.374 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070988050 678880127 /nfs/dbraw/zinc/88/01/27/678880127.db2.gz DMQFRGYQEOAUOP-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CC(C)[N@H+]1CCNC(=O)CCN(C(=O)c2nnn(C)n2)CC1 ZINC001070988050 678880130 /nfs/dbraw/zinc/88/01/30/678880130.db2.gz DMQFRGYQEOAUOP-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CC[C@@H](C[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1)OC ZINC001070993738 678880485 /nfs/dbraw/zinc/88/04/85/678880485.db2.gz MMPBQRGYUCRYPT-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC[C@@H](C[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1)OC ZINC001070993738 678880487 /nfs/dbraw/zinc/88/04/87/678880487.db2.gz MMPBQRGYUCRYPT-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cnnn2)CC1 ZINC001071011385 678882015 /nfs/dbraw/zinc/88/20/15/678882015.db2.gz CPURFIQSWJWUHT-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cnnn2)CC1 ZINC001071011385 678882018 /nfs/dbraw/zinc/88/20/18/678882018.db2.gz CPURFIQSWJWUHT-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001071025850 678882543 /nfs/dbraw/zinc/88/25/43/678882543.db2.gz ZPRBCJSZHXVPPN-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001071025850 678882546 /nfs/dbraw/zinc/88/25/46/678882546.db2.gz ZPRBCJSZHXVPPN-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071174173 678884620 /nfs/dbraw/zinc/88/46/20/678884620.db2.gz UPJMRTFVDBEPPF-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071182432 678884652 /nfs/dbraw/zinc/88/46/52/678884652.db2.gz AYJSKESYDUQNEV-QMTHXVAHSA-N 1 1 322.369 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071182432 678884654 /nfs/dbraw/zinc/88/46/54/678884654.db2.gz AYJSKESYDUQNEV-QMTHXVAHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071199223 678884670 /nfs/dbraw/zinc/88/46/70/678884670.db2.gz KNPVCYYRXGSBMN-RISCZKNCSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071199337 678884742 /nfs/dbraw/zinc/88/47/42/678884742.db2.gz KTIFEUIVQSXIFF-GWCFXTLKSA-N 1 1 310.358 -1.492 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071182430 678884879 /nfs/dbraw/zinc/88/48/79/678884879.db2.gz AYJSKESYDUQNEV-HZMBPMFUSA-N 1 1 322.369 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071182430 678884880 /nfs/dbraw/zinc/88/48/80/678884880.db2.gz AYJSKESYDUQNEV-HZMBPMFUSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071207110 678885257 /nfs/dbraw/zinc/88/52/57/678885257.db2.gz UZGRTAYMPYDDGR-QMTHXVAHSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071207110 678885260 /nfs/dbraw/zinc/88/52/60/678885260.db2.gz UZGRTAYMPYDDGR-QMTHXVAHSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)N(C)C)C2)O1 ZINC001071207109 678885437 /nfs/dbraw/zinc/88/54/37/678885437.db2.gz UZGRTAYMPYDDGR-IINYFYTJSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)O1 ZINC001071207109 678885439 /nfs/dbraw/zinc/88/54/39/678885439.db2.gz UZGRTAYMPYDDGR-IINYFYTJSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071206339 678885453 /nfs/dbraw/zinc/88/54/53/678885453.db2.gz IOZLJYJFUYCLIZ-SMDDNHRTSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CCn3cncn3)C2)O1 ZINC001071206143 678885495 /nfs/dbraw/zinc/88/54/95/678885495.db2.gz FKLHAVLKIIVJPI-SMDDNHRTSA-N 1 1 322.369 -1.545 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206322 678885573 /nfs/dbraw/zinc/88/55/73/678885573.db2.gz IIHPUFKSNUFHAW-MEBBXXQBSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206322 678885575 /nfs/dbraw/zinc/88/55/75/678885575.db2.gz IIHPUFKSNUFHAW-MEBBXXQBSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071239169 678886728 /nfs/dbraw/zinc/88/67/28/678886728.db2.gz XKNWRGXDUTUYRX-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071341055 678887778 /nfs/dbraw/zinc/88/77/78/678887778.db2.gz XSXFMBRPMPOMQL-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071341055 678887780 /nfs/dbraw/zinc/88/77/80/678887780.db2.gz XSXFMBRPMPOMQL-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001071444449 678888357 /nfs/dbraw/zinc/88/83/57/678888357.db2.gz PHCYXEHIPQTGCS-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001071444449 678888358 /nfs/dbraw/zinc/88/83/58/678888358.db2.gz PHCYXEHIPQTGCS-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071509178 678889990 /nfs/dbraw/zinc/88/99/90/678889990.db2.gz ZEKYOVXPYPBLBO-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071509178 678889991 /nfs/dbraw/zinc/88/99/91/678889991.db2.gz ZEKYOVXPYPBLBO-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071515394 678890500 /nfs/dbraw/zinc/89/05/00/678890500.db2.gz UKEFCXMACDCLLF-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N(C)C ZINC001071515394 678890502 /nfs/dbraw/zinc/89/05/02/678890502.db2.gz UKEFCXMACDCLLF-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071549872 678891102 /nfs/dbraw/zinc/89/11/02/678891102.db2.gz VWLCQKGIIRTIQC-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071553555 678891542 /nfs/dbraw/zinc/89/15/42/678891542.db2.gz MSTGUUNRYCZLQR-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071555234 678891599 /nfs/dbraw/zinc/89/15/99/678891599.db2.gz AKMYTCUENSGLFI-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071565063 678892253 /nfs/dbraw/zinc/89/22/53/678892253.db2.gz DDMKZZGSAMXWLH-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[N@@H+]1CC(N)=O ZINC001071575238 678894073 /nfs/dbraw/zinc/89/40/73/678894073.db2.gz UEUBCHJDPBFXNJ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C[N@H+]1CC(N)=O ZINC001071575238 678894076 /nfs/dbraw/zinc/89/40/76/678894076.db2.gz UEUBCHJDPBFXNJ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071581633 678894663 /nfs/dbraw/zinc/89/46/63/678894663.db2.gz LXRKRXCVCLVPSD-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071581632 678894985 /nfs/dbraw/zinc/89/49/85/678894985.db2.gz LXRKRXCVCLVPSD-KOLCDFICSA-N 1 1 322.369 -1.177 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071581995 678894999 /nfs/dbraw/zinc/89/49/99/678894999.db2.gz QICQMVNMGXNXBC-GHMZBOCLSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CCCO ZINC001071625323 678895295 /nfs/dbraw/zinc/89/52/95/678895295.db2.gz NYCJWIWPHSIYFP-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071582523 678895326 /nfs/dbraw/zinc/89/53/26/678895326.db2.gz WYELKYVJEWQZPH-GXSJLCMTSA-N 1 1 322.369 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071623633 678895453 /nfs/dbraw/zinc/89/54/53/678895453.db2.gz AODOPSYMGLLUQE-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071623633 678895454 /nfs/dbraw/zinc/89/54/54/678895454.db2.gz AODOPSYMGLLUQE-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001071659910 678895914 /nfs/dbraw/zinc/89/59/14/678895914.db2.gz MMRIDCFPNPFGQQ-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001071659910 678895915 /nfs/dbraw/zinc/89/59/15/678895915.db2.gz MMRIDCFPNPFGQQ-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CCO ZINC001071660401 678895962 /nfs/dbraw/zinc/89/59/62/678895962.db2.gz VSGDZSUSOZUBMK-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001071626822 678896032 /nfs/dbraw/zinc/89/60/32/678896032.db2.gz ZFUVBLHERDPXOB-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001071626822 678896033 /nfs/dbraw/zinc/89/60/33/678896033.db2.gz ZFUVBLHERDPXOB-ZJUUUORDSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001071626819 678896046 /nfs/dbraw/zinc/89/60/46/678896046.db2.gz ZFUVBLHERDPXOB-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001071626819 678896047 /nfs/dbraw/zinc/89/60/47/678896047.db2.gz ZFUVBLHERDPXOB-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CCCO ZINC001071738227 678897578 /nfs/dbraw/zinc/89/75/78/678897578.db2.gz BCYCFLABFYELRL-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CCC1=O ZINC001071792082 678898012 /nfs/dbraw/zinc/89/80/12/678898012.db2.gz DOMAEHLWGPIUOX-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001071792082 678898014 /nfs/dbraw/zinc/89/80/14/678898014.db2.gz DOMAEHLWGPIUOX-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C[N@H+]1CCCO ZINC001071900595 678900439 /nfs/dbraw/zinc/90/04/39/678900439.db2.gz KLJYSPUZZFOUNT-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[N@H+]1CCCO ZINC001071900588 678900515 /nfs/dbraw/zinc/90/05/15/678900515.db2.gz KLJYSPUZZFOUNT-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C[N@H+]1CCCO ZINC001071900599 678900596 /nfs/dbraw/zinc/90/05/96/678900596.db2.gz KLJYSPUZZFOUNT-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C[N@H+]1CCO ZINC001071972605 678902449 /nfs/dbraw/zinc/90/24/49/678902449.db2.gz XWRPHOUJBWRORD-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033460 678904430 /nfs/dbraw/zinc/90/44/30/678904430.db2.gz NGCIGKIWABSQLQ-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033460 678904433 /nfs/dbraw/zinc/90/44/33/678904433.db2.gz NGCIGKIWABSQLQ-GXSJLCMTSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@@H](C)[N@H+](CCO)C2)c(=O)n1C ZINC001072033145 678904458 /nfs/dbraw/zinc/90/44/58/678904458.db2.gz KIIQLPIRKOWTPI-PWSUYJOCSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033467 678904482 /nfs/dbraw/zinc/90/44/82/678904482.db2.gz NGCIGKIWABSQLQ-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001072033467 678904486 /nfs/dbraw/zinc/90/44/86/678904486.db2.gz NGCIGKIWABSQLQ-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C[N@H+]1CCO ZINC001072055343 678904612 /nfs/dbraw/zinc/90/46/12/678904612.db2.gz SSZIRZHYMXUQIZ-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[N@H+]1CCO ZINC001072055345 678904661 /nfs/dbraw/zinc/90/46/61/678904661.db2.gz SSZIRZHYMXUQIZ-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C[N@H+]1CCO ZINC001072055344 678904806 /nfs/dbraw/zinc/90/48/06/678904806.db2.gz SSZIRZHYMXUQIZ-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058879 678905034 /nfs/dbraw/zinc/90/50/34/678905034.db2.gz UKKWCFXUAMCKHD-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058879 678905038 /nfs/dbraw/zinc/90/50/38/678905038.db2.gz UKKWCFXUAMCKHD-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001072058881 678905160 /nfs/dbraw/zinc/90/51/60/678905160.db2.gz UKKWCFXUAMCKHD-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001072058881 678905163 /nfs/dbraw/zinc/90/51/63/678905163.db2.gz UKKWCFXUAMCKHD-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C[N@H+]1CCCO ZINC001072055621 678905210 /nfs/dbraw/zinc/90/52/10/678905210.db2.gz WUTGMEBQSVEEFK-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114313675 782192276 /nfs/dbraw/zinc/19/22/76/782192276.db2.gz LARHAHSFMKJVKT-IMRBUKKESA-N 1 1 304.350 -1.150 20 0 DAADMO NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 ZINC001200206859 782193539 /nfs/dbraw/zinc/19/35/39/782193539.db2.gz NXUBOBMFBWERPS-JTQLQIEISA-N 1 1 310.358 -1.570 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1 ZINC001200201396 782193747 /nfs/dbraw/zinc/19/37/47/782193747.db2.gz XJKYXOHRMYHMBY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001200351195 782196983 /nfs/dbraw/zinc/19/69/83/782196983.db2.gz GXZCLFAJTMJUBY-LLVKDONJSA-N 1 1 324.385 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001115160473 782198155 /nfs/dbraw/zinc/19/81/55/782198155.db2.gz WJGXKZCIUJOZHW-IWIIMEHWSA-N 1 1 311.386 -1.431 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)CNC(=O)C2CC2)nc1=O ZINC001273870644 782210558 /nfs/dbraw/zinc/21/05/58/782210558.db2.gz NGJJNWQUEVZPEY-IHWYPQMZSA-N 1 1 322.369 -1.603 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201120001 782211975 /nfs/dbraw/zinc/21/19/75/782211975.db2.gz KKUHWQSWLMAIBR-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cccc(C(N)=O)n1 ZINC001152848586 782212641 /nfs/dbraw/zinc/21/26/41/782212641.db2.gz MHICMPGCSKTQTK-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 ZINC001201429958 782217408 /nfs/dbraw/zinc/21/74/08/782217408.db2.gz JNUAQQVOPHHNNV-GFCCVEGCSA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1 ZINC001201429958 782217397 /nfs/dbraw/zinc/21/73/97/782217397.db2.gz JNUAQQVOPHHNNV-GFCCVEGCSA-N 1 1 324.385 -1.310 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1)C(N)=O ZINC001201431472 782219225 /nfs/dbraw/zinc/21/92/25/782219225.db2.gz XTKXLDPYSQDYPV-PWSUYJOCSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1)C(N)=O ZINC001201431472 782219229 /nfs/dbraw/zinc/21/92/29/782219229.db2.gz XTKXLDPYSQDYPV-PWSUYJOCSA-N 1 1 324.385 -1.182 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110566963 782219289 /nfs/dbraw/zinc/21/92/89/782219289.db2.gz RPQLBGHRLYBOIZ-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO COc1cncc(C[NH2+][C@@]2(CO)CCCN(C(=O)C(N)=O)C2)n1 ZINC001273910983 782224071 /nfs/dbraw/zinc/22/40/71/782224071.db2.gz LYGVLWSNUINNQY-AWEZNQCLSA-N 1 1 323.353 -1.586 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110734969 782236847 /nfs/dbraw/zinc/23/68/47/782236847.db2.gz ODGOOWPKWBBMBA-UTUOFQBUSA-N 1 1 312.370 -2.048 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110630645 782234153 /nfs/dbraw/zinc/23/41/53/782234153.db2.gz NGZOIEJEFLTLIV-UTUOFQBUSA-N 1 1 314.386 -1.354 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110619500 782234431 /nfs/dbraw/zinc/23/44/31/782234431.db2.gz XENPBUAQZUVFKV-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)S(C)(=O)=O ZINC001110621873 782234747 /nfs/dbraw/zinc/23/47/47/782234747.db2.gz YDFYJPZBCHCKFH-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110630834 782235342 /nfs/dbraw/zinc/23/53/42/782235342.db2.gz WRSWHGOMJPTSTM-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)NC)C2 ZINC001110630834 782235349 /nfs/dbraw/zinc/23/53/49/782235349.db2.gz WRSWHGOMJPTSTM-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC ZINC001110631737 782235867 /nfs/dbraw/zinc/23/58/67/782235867.db2.gz LJXPPSRLHORVAY-ZDCRXTMVSA-N 1 1 311.386 -1.229 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC ZINC001110631737 782235878 /nfs/dbraw/zinc/23/58/78/782235878.db2.gz LJXPPSRLHORVAY-ZDCRXTMVSA-N 1 1 311.386 -1.229 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188819 782235941 /nfs/dbraw/zinc/23/59/41/782235941.db2.gz QZNVEFXXWGDJCA-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO CCNC(=O)CC(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001273965605 782237967 /nfs/dbraw/zinc/23/79/67/782237967.db2.gz IIPGMUVVZWJQIS-SNAWJCMRSA-N 1 1 310.358 -1.603 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114336280 782240846 /nfs/dbraw/zinc/24/08/46/782240846.db2.gz LDAPSCHWDHVEBM-IMRBUKKESA-N 1 1 318.381 -1.149 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC001114343568 782240895 /nfs/dbraw/zinc/24/08/95/782240895.db2.gz QJMADFWPUSPLTG-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC001114343568 782240901 /nfs/dbraw/zinc/24/09/01/782240901.db2.gz QJMADFWPUSPLTG-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336494 782240938 /nfs/dbraw/zinc/24/09/38/782240938.db2.gz PTOUSYWMSOCCQU-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC001114336494 782240952 /nfs/dbraw/zinc/24/09/52/782240952.db2.gz PTOUSYWMSOCCQU-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114334729 782241096 /nfs/dbraw/zinc/24/10/96/782241096.db2.gz ZEUIJJYDEAVVMO-JYAVWHMHSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114334729 782241105 /nfs/dbraw/zinc/24/11/05/782241105.db2.gz ZEUIJJYDEAVVMO-JYAVWHMHSA-N 1 1 318.381 -1.149 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363609 782241477 /nfs/dbraw/zinc/24/14/77/782241477.db2.gz GYXBFEGVVYKFEI-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114362084 782241519 /nfs/dbraw/zinc/24/15/19/782241519.db2.gz ZPEMQZPSVWKZNI-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114362084 782241524 /nfs/dbraw/zinc/24/15/24/782241524.db2.gz ZPEMQZPSVWKZNI-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114376509 782242756 /nfs/dbraw/zinc/24/27/56/782242756.db2.gz MVRDTGZIWARHJC-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114374012 782243043 /nfs/dbraw/zinc/24/30/43/782243043.db2.gz LWSYJQUTNXEULF-MIZYBKAJSA-N 1 1 309.370 -1.760 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114368132 782243280 /nfs/dbraw/zinc/24/32/80/782243280.db2.gz GHGBYGRRECNKHF-BBGACYKPSA-N 1 1 324.381 -1.926 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001114376587 782243345 /nfs/dbraw/zinc/24/33/45/782243345.db2.gz OKGSQCDMKFGCBY-IMRBUKKESA-N 1 1 320.397 -1.062 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114379215 782243836 /nfs/dbraw/zinc/24/38/36/782243836.db2.gz WDJVZNAKNNXMSP-MIZYBKAJSA-N 1 1 309.370 -1.808 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114379213 782244053 /nfs/dbraw/zinc/24/40/53/782244053.db2.gz WDJVZNAKNNXMSP-KLBPJQLPSA-N 1 1 309.370 -1.808 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114397607 782245863 /nfs/dbraw/zinc/24/58/63/782245863.db2.gz PXCFTENKHWQTSM-CIQGVGRVSA-N 1 1 311.382 -1.432 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC001114411627 782246691 /nfs/dbraw/zinc/24/66/91/782246691.db2.gz IBQJUOUVUTVULU-PUHVVEEASA-N 1 1 322.365 -1.057 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001098360198 782245413 /nfs/dbraw/zinc/24/54/13/782245413.db2.gz ZUUKYWZENLBJFD-SNVBAGLBSA-N 1 1 314.342 -2.135 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114442182 782248973 /nfs/dbraw/zinc/24/89/73/782248973.db2.gz BMZUCLXLSWFVFN-SREGZZRCSA-N 1 1 323.353 -2.104 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114442182 782248963 /nfs/dbraw/zinc/24/89/63/782248963.db2.gz BMZUCLXLSWFVFN-SREGZZRCSA-N 1 1 323.353 -2.104 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114445574 782249492 /nfs/dbraw/zinc/24/94/92/782249492.db2.gz SZOHDTVXONLWBZ-PUHVVEEASA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114445574 782249499 /nfs/dbraw/zinc/24/94/99/782249499.db2.gz SZOHDTVXONLWBZ-PUHVVEEASA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114466244 782250786 /nfs/dbraw/zinc/25/07/86/782250786.db2.gz OEOAMJKUIAWEIF-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114476854 782250866 /nfs/dbraw/zinc/25/08/66/782250866.db2.gz AVZUKSJCUOARHC-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114476854 782250873 /nfs/dbraw/zinc/25/08/73/782250873.db2.gz AVZUKSJCUOARHC-MIZYBKAJSA-N 1 1 315.395 -1.644 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114480625 782251661 /nfs/dbraw/zinc/25/16/61/782251661.db2.gz RLBZNNFZHRXITD-WOFXILAISA-N 1 1 311.342 -3.230 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114480625 782251669 /nfs/dbraw/zinc/25/16/69/782251669.db2.gz RLBZNNFZHRXITD-WOFXILAISA-N 1 1 311.342 -3.230 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCc1cn(C)nn1)c1nnnn1C ZINC001153770855 782253040 /nfs/dbraw/zinc/25/30/40/782253040.db2.gz NOLVDTYQZPNARS-SECBINFHSA-N 1 1 307.362 -1.262 20 0 DAADMO COCC(=O)NCCC[NH2+]Cc1nc(CS(C)(=O)=O)no1 ZINC001154002499 782253607 /nfs/dbraw/zinc/25/36/07/782253607.db2.gz OAPYIKXSKFXKEQ-UHFFFAOYSA-N 1 1 320.371 -1.144 20 0 DAADMO NC(=O)C[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001274061909 782260355 /nfs/dbraw/zinc/26/03/55/782260355.db2.gz OSEVKYSLSSKNEL-XHDPSFHLSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCOC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001274061909 782260365 /nfs/dbraw/zinc/26/03/65/782260365.db2.gz OSEVKYSLSSKNEL-XHDPSFHLSA-N 1 1 324.381 -1.699 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338211 782257690 /nfs/dbraw/zinc/25/76/90/782257690.db2.gz NRXDZNVHIDDYAN-IMSYWVGJSA-N 1 1 308.342 -1.421 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095338211 782257700 /nfs/dbraw/zinc/25/77/00/782257700.db2.gz NRXDZNVHIDDYAN-IMSYWVGJSA-N 1 1 308.342 -1.421 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095371050 782258145 /nfs/dbraw/zinc/25/81/45/782258145.db2.gz LVZSNJIZLITJDT-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COC(=O)N1)C2 ZINC001095371050 782258154 /nfs/dbraw/zinc/25/81/54/782258154.db2.gz LVZSNJIZLITJDT-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO NC(=O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274061906 782260459 /nfs/dbraw/zinc/26/04/59/782260459.db2.gz OSEVKYSLSSKNEL-ABAIWWIYSA-N 1 1 324.381 -1.699 20 0 DAADMO O=C(NC1(C[NH2+]CCn2cncn2)CCOCC1)c1ncn[nH]1 ZINC001274008289 782259170 /nfs/dbraw/zinc/25/91/70/782259170.db2.gz ROTSLWBGUURWDR-UHFFFAOYSA-N 1 1 320.357 -1.035 20 0 DAADMO O=C(NC1(C[NH2+]CCn2cncn2)CCOCC1)c1nc[nH]n1 ZINC001274008289 782259176 /nfs/dbraw/zinc/25/91/76/782259176.db2.gz ROTSLWBGUURWDR-UHFFFAOYSA-N 1 1 320.357 -1.035 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274051389 782259793 /nfs/dbraw/zinc/25/97/93/782259793.db2.gz FKTZRNJDJOGCKX-SMDDNHRTSA-N 1 1 309.370 -1.001 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274051386 782259823 /nfs/dbraw/zinc/25/98/23/782259823.db2.gz FKTZRNJDJOGCKX-BXUZGUMPSA-N 1 1 309.370 -1.001 20 0 DAADMO NC(=O)C[N@H+]1CCOC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274061906 782260468 /nfs/dbraw/zinc/26/04/68/782260468.db2.gz OSEVKYSLSSKNEL-ABAIWWIYSA-N 1 1 324.381 -1.699 20 0 DAADMO CCn1nncc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098360673 782256342 /nfs/dbraw/zinc/25/63/42/782256342.db2.gz PTJDSHWHRRVZQO-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099946993 782256546 /nfs/dbraw/zinc/25/65/46/782256546.db2.gz OSWXSUVOJTWUER-VHSXEESVSA-N 1 1 314.346 -2.616 20 0 DAADMO NC(=O)C[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274061907 782260316 /nfs/dbraw/zinc/26/03/16/782260316.db2.gz OSEVKYSLSSKNEL-IAQYHMDHSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274061907 782260318 /nfs/dbraw/zinc/26/03/18/782260318.db2.gz OSEVKYSLSSKNEL-IAQYHMDHSA-N 1 1 324.381 -1.699 20 0 DAADMO CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062706 782260929 /nfs/dbraw/zinc/26/09/29/782260929.db2.gz VUKJYDPTRUMPGZ-AWEZNQCLSA-N 1 1 310.354 -1.551 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072900 782263104 /nfs/dbraw/zinc/26/31/04/782263104.db2.gz IJIVJNGWHLEFEA-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072900 782263110 /nfs/dbraw/zinc/26/31/10/782263110.db2.gz IJIVJNGWHLEFEA-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO COC(CN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O)OC ZINC001274054626 782261953 /nfs/dbraw/zinc/26/19/53/782261953.db2.gz PADLYAVMQCOZGK-CQSZACIVSA-N 1 1 313.354 -1.068 20 0 DAADMO COC[C@H](C(=O)OC)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062147 782262181 /nfs/dbraw/zinc/26/21/81/782262181.db2.gz MOXGPQFEDZVCLY-YGRLFVJLSA-N 1 1 313.354 -1.416 20 0 DAADMO CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072680 782262937 /nfs/dbraw/zinc/26/29/37/782262937.db2.gz GPDNOUGGUBMGLA-HNNXBMFYSA-N 1 1 324.381 -1.290 20 0 DAADMO CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](CC(=O)NC)C2)C1=O ZINC001274072919 782263497 /nfs/dbraw/zinc/26/34/97/782263497.db2.gz IMFDOSYMUKTPEU-BONVTDFDSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274073230 782263831 /nfs/dbraw/zinc/26/38/31/782263831.db2.gz JUUQVPOJPBDNMR-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274073230 782263838 /nfs/dbraw/zinc/26/38/38/782263838.db2.gz JUUQVPOJPBDNMR-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C\CNC(=O)c1cc(=O)n(C)cn1 ZINC001274097745 782264751 /nfs/dbraw/zinc/26/47/51/782264751.db2.gz WIFCQWDXPJYIQS-ARJAWSKDSA-N 1 1 317.353 -1.015 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274074478 782264825 /nfs/dbraw/zinc/26/48/25/782264825.db2.gz VQYYABIDGZNBBX-AWEZNQCLSA-N 1 1 322.369 -1.636 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274074478 782264852 /nfs/dbraw/zinc/26/48/52/782264852.db2.gz VQYYABIDGZNBBX-AWEZNQCLSA-N 1 1 322.369 -1.636 20 0 DAADMO C[C@H](CO)C[NH+]1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001274071458 782265214 /nfs/dbraw/zinc/26/52/14/782265214.db2.gz HSJZAKGHAAJONU-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001099949938 782269111 /nfs/dbraw/zinc/26/91/11/782269111.db2.gz WMYSWIJPKNHLRN-MEBFFEOJSA-N 1 1 314.382 -1.561 20 0 DAADMO Cn1cncc1C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001274172913 782267818 /nfs/dbraw/zinc/26/78/18/782267818.db2.gz CDKNSMFQPRZUIH-ARJAWSKDSA-N 1 1 305.342 -1.082 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCn2cc(C(N)=O)nc2C1 ZINC001274234416 782270468 /nfs/dbraw/zinc/27/04/68/782270468.db2.gz YRKLOWXFPWYUKO-LLVKDONJSA-N 1 1 306.370 -1.430 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C[C@H]12 ZINC001274232127 782270491 /nfs/dbraw/zinc/27/04/91/782270491.db2.gz APSLWYQKPIIXCI-SDDRHHMPSA-N 1 1 323.397 -1.466 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCc2onc(C(N)=O)c2C1 ZINC001274233433 782270567 /nfs/dbraw/zinc/27/05/67/782270567.db2.gz OIFHNPCSIPZVEE-SNVBAGLBSA-N 1 1 307.354 -1.096 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H](C(N)=O)n2nccc2C1 ZINC001274233051 782270592 /nfs/dbraw/zinc/27/05/92/782270592.db2.gz KKKPJWMCVQWDGL-OLZOCXBDSA-N 1 1 320.397 -1.112 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCc2c(n[nH]c2C(N)=O)C1 ZINC001274233391 782271068 /nfs/dbraw/zinc/27/10/68/782271068.db2.gz NSLHFUSJDSGFCU-NSHDSACASA-N 1 1 306.370 -1.361 20 0 DAADMO C[C@@H]([NH2+]C/C=C\CNC(=O)c1nnn(C)n1)c1nncn1C ZINC001274274360 782273348 /nfs/dbraw/zinc/27/33/48/782273348.db2.gz LEFHYVXMOYBCMV-XRVBUDJMSA-N 1 1 305.346 -1.025 20 0 DAADMO COc1cncc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001274326464 782274181 /nfs/dbraw/zinc/27/41/81/782274181.db2.gz XEJNHRPTWFIEDS-QUCGXOGASA-N 1 1 320.353 -1.071 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)[C@]2(C)CCNC2=O)nc1=O ZINC001274359529 782274883 /nfs/dbraw/zinc/27/48/83/782274883.db2.gz DUTBLRFCXKWLNH-NQHOJNORSA-N 1 1 322.369 -1.603 20 0 DAADMO Cn1ccnc1C[NH2+]CC=CCNC(=O)CN1C(=O)CNC1=O ZINC001274558676 782281387 /nfs/dbraw/zinc/28/13/87/782281387.db2.gz CRHHTUZFZHWZBH-IHWYPQMZSA-N 1 1 320.353 -1.266 20 0 DAADMO CC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568017 782283099 /nfs/dbraw/zinc/28/30/99/782283099.db2.gz UEIMUXLNXDNEKU-VHRBIJSZSA-N 1 1 300.355 -1.380 20 0 DAADMO O=C1CC[C@H](CN2CC[C@@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)N1 ZINC001274569539 782284538 /nfs/dbraw/zinc/28/45/38/782284538.db2.gz FKGLKCAXKFWFJB-TYNCELHUSA-N 1 1 311.382 -1.457 20 0 DAADMO O=C1CC[C@H](CN2CC[C@@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)N1 ZINC001274569736 782284637 /nfs/dbraw/zinc/28/46/37/782284637.db2.gz LDMKJAJAKRHSKN-XUJVJEKNSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1CC[C@H](CN2CC[C@]3(CCC[N@@H+]3C[C@H](O)CO)C2=O)N1 ZINC001274569735 782285007 /nfs/dbraw/zinc/28/50/07/782285007.db2.gz LDMKJAJAKRHSKN-TYNCELHUSA-N 1 1 311.382 -1.315 20 0 DAADMO Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CO ZINC001274569748 782285199 /nfs/dbraw/zinc/28/51/99/782285199.db2.gz LLTFHBXGFUCVLJ-QJPTWQEYSA-N 1 1 309.370 -1.266 20 0 DAADMO Cn1cnnc1CN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274569457 782285339 /nfs/dbraw/zinc/28/53/39/782285339.db2.gz BKGQWROSOSVHFJ-SMDDNHRTSA-N 1 1 309.370 -1.407 20 0 DAADMO O=C1C[C@]2(CN1C1COC1)COCC[N@H+](C[C@H](O)CO)C2 ZINC001274570735 782285738 /nfs/dbraw/zinc/28/57/38/782285738.db2.gz CITAQHZNEZSKFY-JSGCOSHPSA-N 1 1 300.355 -1.711 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274605085 782287303 /nfs/dbraw/zinc/28/73/03/782287303.db2.gz GUIWXIDNCKDRJI-RISCZKNCSA-N 1 1 314.338 -1.778 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCOCCO ZINC001274633050 782287471 /nfs/dbraw/zinc/28/74/71/782287471.db2.gz DOXOMXGVFRQWAJ-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274643822 782288338 /nfs/dbraw/zinc/28/83/38/782288338.db2.gz VZNAMEHVYVKVCM-GXTWGEPZSA-N 1 1 300.355 -1.304 20 0 DAADMO COCCCN1C(=O)COCC12C[NH+](C[C@H](O)COC)C2 ZINC001274643828 782288479 /nfs/dbraw/zinc/28/84/79/782288479.db2.gz WFCHNSJLLMHNIV-LBPRGKRZSA-N 1 1 302.371 -1.057 20 0 DAADMO CCn1cc(C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001274471893 782279128 /nfs/dbraw/zinc/27/91/28/782279128.db2.gz JIJNXFJWZGALES-PLNGDYQASA-N 1 1 320.357 -1.204 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274696849 782291035 /nfs/dbraw/zinc/29/10/35/782291035.db2.gz FSSRSBLZISSZOU-SNVBAGLBSA-N 1 1 322.369 -1.611 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001274696849 782291044 /nfs/dbraw/zinc/29/10/44/782291044.db2.gz FSSRSBLZISSZOU-SNVBAGLBSA-N 1 1 322.369 -1.611 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001274698691 782291400 /nfs/dbraw/zinc/29/14/00/782291400.db2.gz VGADSPKIISATMF-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CN(C)C(=O)c1cnc2n1CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001274698691 782291405 /nfs/dbraw/zinc/29/14/05/782291405.db2.gz VGADSPKIISATMF-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)C1)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001274698687 782291530 /nfs/dbraw/zinc/29/15/30/782291530.db2.gz VCHIVUAPICASMZ-UWTIGNOOSA-N 1 1 323.393 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001274698687 782291536 /nfs/dbraw/zinc/29/15/36/782291536.db2.gz VCHIVUAPICASMZ-UWTIGNOOSA-N 1 1 323.393 -1.146 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)O1 ZINC001274699118 782291727 /nfs/dbraw/zinc/29/17/27/782291727.db2.gz YISZKGNVQWHQFE-NEPJUHHUSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)O1 ZINC001274699118 782291731 /nfs/dbraw/zinc/29/17/31/782291731.db2.gz YISZKGNVQWHQFE-NEPJUHHUSA-N 1 1 311.382 -1.099 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001274731932 782292327 /nfs/dbraw/zinc/29/23/27/782292327.db2.gz XZCIULJSNIUQMH-QMMMGPOBSA-N 1 1 321.337 -1.154 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3n[nH]c(C(N)=O)c3C2)C1 ZINC001274731932 782292334 /nfs/dbraw/zinc/29/23/34/782292334.db2.gz XZCIULJSNIUQMH-QMMMGPOBSA-N 1 1 321.337 -1.154 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001274898124 782296489 /nfs/dbraw/zinc/29/64/89/782296489.db2.gz WWDMHNCMQGKTQA-VIFPVBQESA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)C(=O)NCC1CC1 ZINC001274968440 782299386 /nfs/dbraw/zinc/29/93/86/782299386.db2.gz XJZYPVBXNCWSTK-RKDXNWHRSA-N 1 1 309.374 -1.108 20 0 DAADMO COCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cccnc1=O ZINC001274979711 782299531 /nfs/dbraw/zinc/29/95/31/782299531.db2.gz UNPKUDQIBCJQFT-BETUJISGSA-N 1 1 322.365 -1.199 20 0 DAADMO COCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cccnc1=O ZINC001274979711 782299536 /nfs/dbraw/zinc/29/95/36/782299536.db2.gz UNPKUDQIBCJQFT-BETUJISGSA-N 1 1 322.365 -1.199 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)NC(=O)CN1C(=O)CN(C)C1=O ZINC001275012739 782301034 /nfs/dbraw/zinc/30/10/34/782301034.db2.gz JNKWPGIFNYCJDZ-SNVBAGLBSA-N 1 1 320.353 -1.035 20 0 DAADMO C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1cc2n(n1)CCNC2=O ZINC001275045036 782301192 /nfs/dbraw/zinc/30/11/92/782301192.db2.gz RGTWSHIBSSHRFZ-NEPJUHHUSA-N 1 1 305.338 -1.219 20 0 DAADMO C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1cc2n(n1)CCNC2=O ZINC001275045036 782301201 /nfs/dbraw/zinc/30/12/01/782301201.db2.gz RGTWSHIBSSHRFZ-NEPJUHHUSA-N 1 1 305.338 -1.219 20 0 DAADMO CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275079737 782302705 /nfs/dbraw/zinc/30/27/05/782302705.db2.gz UIDKYOXHFUCYLN-RACQDCERSA-N 1 1 316.354 -2.519 20 0 DAADMO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275079531 782303226 /nfs/dbraw/zinc/30/32/26/782303226.db2.gz OLTOJIXDNVEQAM-BBDLJKNJSA-N 1 1 316.354 -2.519 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001275186710 782303996 /nfs/dbraw/zinc/30/39/96/782303996.db2.gz LUBQTYZQSHAUDH-JTQLQIEISA-N 1 1 304.354 -1.149 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001275166749 782304736 /nfs/dbraw/zinc/30/47/36/782304736.db2.gz DZIYLCCUOMGMIP-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001275186733 782304773 /nfs/dbraw/zinc/30/47/73/782304773.db2.gz LXMJQUSIYOCWDS-AGIUHOORSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@@H]21 ZINC001275186733 782304784 /nfs/dbraw/zinc/30/47/84/782304784.db2.gz LXMJQUSIYOCWDS-AGIUHOORSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H](NC(=O)CC(N)=O)[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001275374651 782309016 /nfs/dbraw/zinc/30/90/16/782309016.db2.gz DUKNVMWSHXUYBN-RKDXNWHRSA-N 1 1 310.358 -1.334 20 0 DAADMO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001275433147 782309352 /nfs/dbraw/zinc/30/93/52/782309352.db2.gz IQPOZIVDSBPESQ-IUCAKERBSA-N 1 1 323.357 -1.157 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275488705 782311780 /nfs/dbraw/zinc/31/17/80/782311780.db2.gz ROOXRVNCPHBVAL-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529451 782312021 /nfs/dbraw/zinc/31/20/21/782312021.db2.gz UNYZECCBAPPGOJ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1)NC(=O)CC(N)=O ZINC001275529451 782312031 /nfs/dbraw/zinc/31/20/31/782312031.db2.gz UNYZECCBAPPGOJ-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](C[N@H+](C)CCF)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275665802 782314660 /nfs/dbraw/zinc/31/46/60/782314660.db2.gz OBNHSRQSRSXJQO-QMMMGPOBSA-N 1 1 302.306 -1.187 20 0 DAADMO C[C@@H](C[N@@H+](C)CCF)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001275665802 782314663 /nfs/dbraw/zinc/31/46/63/782314663.db2.gz OBNHSRQSRSXJQO-QMMMGPOBSA-N 1 1 302.306 -1.187 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](O)COC)CC1 ZINC001275673133 782315227 /nfs/dbraw/zinc/31/52/27/782315227.db2.gz QELVNAJZNGZEFL-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1cn[nH]n1 ZINC001275659074 782315706 /nfs/dbraw/zinc/31/57/06/782315706.db2.gz LHFNVPWXZBQAIM-MWLCHTKSSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659074 782315717 /nfs/dbraw/zinc/31/57/17/782315717.db2.gz LHFNVPWXZBQAIM-MWLCHTKSSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659074 782315727 /nfs/dbraw/zinc/31/57/27/782315727.db2.gz LHFNVPWXZBQAIM-MWLCHTKSSA-N 1 1 322.369 -1.021 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001275828109 782320073 /nfs/dbraw/zinc/32/00/73/782320073.db2.gz SJANWIYWGSMSEQ-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[N@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828109 782320083 /nfs/dbraw/zinc/32/00/83/782320083.db2.gz SJANWIYWGSMSEQ-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001275828109 782320092 /nfs/dbraw/zinc/32/00/92/782320092.db2.gz SJANWIYWGSMSEQ-SCZZXKLOSA-N 1 1 322.369 -1.103 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001275914286 782320476 /nfs/dbraw/zinc/32/04/76/782320476.db2.gz YPPNXOITVCDASD-IUCAKERBSA-N 1 1 314.342 -2.582 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@H+](C)CCNS(C)(=O)=O ZINC001275897725 782321682 /nfs/dbraw/zinc/32/16/82/782321682.db2.gz SWLQRCYVQVZVFZ-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001275897725 782321690 /nfs/dbraw/zinc/32/16/90/782321690.db2.gz SWLQRCYVQVZVFZ-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)[N@H+](C)CC(=O)NC(N)=O ZINC001275928003 782322857 /nfs/dbraw/zinc/32/28/57/782322857.db2.gz BZNBJWNTNQSJKA-ISVAXAHUSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)[N@@H+](C)CC(=O)NC(N)=O ZINC001275928003 782322859 /nfs/dbraw/zinc/32/28/59/782322859.db2.gz BZNBJWNTNQSJKA-ISVAXAHUSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](CNC(=O)C1(C(N)=O)CC1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001275921370 782323171 /nfs/dbraw/zinc/32/31/71/782323171.db2.gz SROLLFWNAYGWRJ-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095475239 782332683 /nfs/dbraw/zinc/33/26/83/782332683.db2.gz YIPRJZQVHFDKKP-RHYQMDGZSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095475239 782332693 /nfs/dbraw/zinc/33/26/93/782332693.db2.gz YIPRJZQVHFDKKP-RHYQMDGZSA-N 1 1 304.354 -1.112 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)CCOCCO ZINC001276013716 782326945 /nfs/dbraw/zinc/32/69/45/782326945.db2.gz YZXLFLQVEHECJR-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001275992438 782327239 /nfs/dbraw/zinc/32/72/39/782327239.db2.gz ATUCCJHSDHEQCL-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001275992438 782327243 /nfs/dbraw/zinc/32/72/43/782327243.db2.gz ATUCCJHSDHEQCL-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001276020794 782328026 /nfs/dbraw/zinc/32/80/26/782328026.db2.gz DSHLXFZEBYDHRA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001276020794 782328036 /nfs/dbraw/zinc/32/80/36/782328036.db2.gz DSHLXFZEBYDHRA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276021266 782328102 /nfs/dbraw/zinc/32/81/02/782328102.db2.gz MFKVJVRRWVVZBU-NXEZZACHSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001276021266 782328107 /nfs/dbraw/zinc/32/81/07/782328107.db2.gz MFKVJVRRWVVZBU-NXEZZACHSA-N 1 1 312.370 -1.388 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419004 782328528 /nfs/dbraw/zinc/32/85/28/782328528.db2.gz KOCDKMNKGBBREK-VWYCJHECSA-N 1 1 307.358 -1.517 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419004 782328540 /nfs/dbraw/zinc/32/85/40/782328540.db2.gz KOCDKMNKGBBREK-VWYCJHECSA-N 1 1 307.358 -1.517 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095420939 782329011 /nfs/dbraw/zinc/32/90/11/782329011.db2.gz CTWRXFWFYJKZJE-WYUUTHIRSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095420939 782329015 /nfs/dbraw/zinc/32/90/15/782329015.db2.gz CTWRXFWFYJKZJE-WYUUTHIRSA-N 1 1 321.385 -1.129 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421079 782329074 /nfs/dbraw/zinc/32/90/74/782329074.db2.gz KCYSKXXBNBRVSW-RCWTZXSCSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421079 782329079 /nfs/dbraw/zinc/32/90/79/782329079.db2.gz KCYSKXXBNBRVSW-RCWTZXSCSA-N 1 1 307.358 -1.342 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095420925 782330076 /nfs/dbraw/zinc/33/00/76/782330076.db2.gz CIPQLPMDYORBTJ-RCWTZXSCSA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095420925 782330083 /nfs/dbraw/zinc/33/00/83/782330083.db2.gz CIPQLPMDYORBTJ-RCWTZXSCSA-N 1 1 305.342 -1.717 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)n1 ZINC001095439959 782331017 /nfs/dbraw/zinc/33/10/17/782331017.db2.gz NAPLGXMZDWBBAW-VWYCJHECSA-N 1 1 322.369 -1.519 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001095475238 782332193 /nfs/dbraw/zinc/33/21/93/782332193.db2.gz YIPRJZQVHFDKKP-NOOOWODRSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001095475238 782332201 /nfs/dbraw/zinc/33/22/01/782332201.db2.gz YIPRJZQVHFDKKP-NOOOWODRSA-N 1 1 304.354 -1.112 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275993059 782325651 /nfs/dbraw/zinc/32/56/51/782325651.db2.gz DQZMKBQMBDIUKS-WDEREUQCSA-N 1 1 315.370 -1.421 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001095526467 782334361 /nfs/dbraw/zinc/33/43/61/782334361.db2.gz KDAKDMNQSUGIJR-USZNOCQGSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCNC1=O)C2 ZINC001095526467 782334364 /nfs/dbraw/zinc/33/43/64/782334364.db2.gz KDAKDMNQSUGIJR-USZNOCQGSA-N 1 1 308.382 -1.020 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)c1=O ZINC001095649416 782335220 /nfs/dbraw/zinc/33/52/20/782335220.db2.gz VTNWQLWWLLZXFO-WOPDTQHZSA-N 1 1 309.370 -1.314 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001095646271 782335438 /nfs/dbraw/zinc/33/54/38/782335438.db2.gz WHISCICQPIGBST-CRWXNKLISA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539783 782335799 /nfs/dbraw/zinc/33/57/99/782335799.db2.gz IPAKQHWGHMOETG-USZNOCQGSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC001095539783 782335809 /nfs/dbraw/zinc/33/58/09/782335809.db2.gz IPAKQHWGHMOETG-USZNOCQGSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001095649231 782336004 /nfs/dbraw/zinc/33/60/04/782336004.db2.gz MSGCRCLIOBWCBG-WYUUTHIRSA-N 1 1 309.370 -1.316 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001095540580 782336097 /nfs/dbraw/zinc/33/60/97/782336097.db2.gz BTOCWMSBSNULBN-AGIUHOORSA-N 1 1 311.382 -1.051 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001110893494 782337769 /nfs/dbraw/zinc/33/77/69/782337769.db2.gz KPCIHMQZEPWUSX-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001110893494 782337771 /nfs/dbraw/zinc/33/77/71/782337771.db2.gz KPCIHMQZEPWUSX-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CNC(=O)N1 ZINC001110957847 782339197 /nfs/dbraw/zinc/33/91/97/782339197.db2.gz DRXGYDDJHQJRQL-KKOKHZNYSA-N 1 1 312.370 -1.602 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111067646 782344136 /nfs/dbraw/zinc/34/41/36/782344136.db2.gz MAYROPIYXHXXKR-ZDCRXTMVSA-N 1 1 305.400 -1.362 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@@H](N(C)C(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001111172025 782350621 /nfs/dbraw/zinc/35/06/21/782350621.db2.gz GJEUVMPGNVQYDF-QWRGUYRKSA-N 1 1 322.369 -1.230 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001095785503 782352812 /nfs/dbraw/zinc/35/28/12/782352812.db2.gz WSLJMFQMEIIBNT-WYFGTUCQSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001095785503 782352817 /nfs/dbraw/zinc/35/28/17/782352817.db2.gz WSLJMFQMEIIBNT-WYFGTUCQSA-N 1 1 319.365 -1.011 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001111295171 782353213 /nfs/dbraw/zinc/35/32/13/782353213.db2.gz FDKCWJAMZJNVKM-LBELIVKGSA-N 1 1 311.382 -1.006 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CCC(=O)N1 ZINC001111295427 782353296 /nfs/dbraw/zinc/35/32/96/782353296.db2.gz PBFFSSVZDWIYTP-XQHKEYJVSA-N 1 1 311.382 -1.005 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001111581526 782354461 /nfs/dbraw/zinc/35/44/61/782354461.db2.gz YVWYLWWAPQUOMW-SCRDCRAPSA-N 1 1 324.385 -1.349 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111374529 782355041 /nfs/dbraw/zinc/35/50/41/782355041.db2.gz QEEAZGGOSBAILZ-UTUOFQBUSA-N 1 1 314.386 -1.225 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111374153 782355645 /nfs/dbraw/zinc/35/56/45/782355645.db2.gz BJKSTTTXVJZYAL-KXNHARMFSA-N 1 1 314.386 -1.226 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181647 782351413 /nfs/dbraw/zinc/35/14/13/782351413.db2.gz HASPNJKDWVCGMH-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181647 782351418 /nfs/dbraw/zinc/35/14/18/782351418.db2.gz HASPNJKDWVCGMH-UTUOFQBUSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111180883 782351498 /nfs/dbraw/zinc/35/14/98/782351498.db2.gz SPJDIEZFZDSVJO-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111180883 782351504 /nfs/dbraw/zinc/35/15/04/782351504.db2.gz SPJDIEZFZDSVJO-DBIOUOCHSA-N 1 1 307.358 -1.342 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181946 782351775 /nfs/dbraw/zinc/35/17/75/782351775.db2.gz UZWBVADRQQAHAZ-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181946 782351782 /nfs/dbraw/zinc/35/17/82/782351782.db2.gz UZWBVADRQQAHAZ-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111378244 782356084 /nfs/dbraw/zinc/35/60/84/782356084.db2.gz KDLFRPCBBMUCFY-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111378244 782356092 /nfs/dbraw/zinc/35/60/92/782356092.db2.gz KDLFRPCBBMUCFY-ZDCRXTMVSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114970171 782361315 /nfs/dbraw/zinc/36/13/15/782361315.db2.gz KGDZBJLODPXYAO-ZRUFSTJUSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001114969906 782361697 /nfs/dbraw/zinc/36/16/97/782361697.db2.gz FKDCATSBJKEAMZ-PJXYFTJBSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538445 782361789 /nfs/dbraw/zinc/36/17/89/782361789.db2.gz PWVJAHLNJWHVLS-RBQUTUCGSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538445 782361797 /nfs/dbraw/zinc/36/17/97/782361797.db2.gz PWVJAHLNJWHVLS-RBQUTUCGSA-N 1 1 322.365 -1.554 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114534979 782361864 /nfs/dbraw/zinc/36/18/64/782361864.db2.gz DZHHYSUVNRCJMY-RTUWITSCSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114534979 782361872 /nfs/dbraw/zinc/36/18/72/782361872.db2.gz DZHHYSUVNRCJMY-RTUWITSCSA-N 1 1 322.365 -1.682 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114524035 782362160 /nfs/dbraw/zinc/36/21/60/782362160.db2.gz NHLCWGBEOWVTEX-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114524035 782362167 /nfs/dbraw/zinc/36/21/67/782362167.db2.gz NHLCWGBEOWVTEX-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538406 782362214 /nfs/dbraw/zinc/36/22/14/782362214.db2.gz OZFQPIQCMUNMDE-QRJZZWFUSA-N 1 1 308.338 -1.943 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538406 782362221 /nfs/dbraw/zinc/36/22/21/782362221.db2.gz OZFQPIQCMUNMDE-QRJZZWFUSA-N 1 1 308.338 -1.943 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507003 782359406 /nfs/dbraw/zinc/35/94/06/782359406.db2.gz GIRUSXJAIFULTL-REIXXSIJSA-N 1 1 321.324 -1.579 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114523590 782360892 /nfs/dbraw/zinc/36/08/92/782360892.db2.gz FFRGYKSITLUNKM-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncn1C ZINC001114523590 782360901 /nfs/dbraw/zinc/36/09/01/782360901.db2.gz FFRGYKSITLUNKM-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114675494 782367139 /nfs/dbraw/zinc/36/71/39/782367139.db2.gz OCJUFGJZVGBZMC-HJUHTLPRSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114675494 782367143 /nfs/dbraw/zinc/36/71/43/782367143.db2.gz OCJUFGJZVGBZMC-HJUHTLPRSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C2 ZINC001095889318 782367984 /nfs/dbraw/zinc/36/79/84/782367984.db2.gz QRNCTJNMWUITJU-RHYQMDGZSA-N 1 1 308.382 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C2 ZINC001095889318 782367992 /nfs/dbraw/zinc/36/79/92/782367992.db2.gz QRNCTJNMWUITJU-RHYQMDGZSA-N 1 1 308.382 -1.068 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC001114666470 782367649 /nfs/dbraw/zinc/36/76/49/782367649.db2.gz WEEMPENEAHGRIN-GDGBQDQQSA-N 1 1 307.354 -1.078 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC001114666470 782367657 /nfs/dbraw/zinc/36/76/57/782367657.db2.gz WEEMPENEAHGRIN-GDGBQDQQSA-N 1 1 307.354 -1.078 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114672922 782367781 /nfs/dbraw/zinc/36/77/81/782367781.db2.gz YAEVIXOEQNGCQF-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114672922 782367782 /nfs/dbraw/zinc/36/77/82/782367782.db2.gz YAEVIXOEQNGCQF-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ncn(C)c1=O ZINC001114619490 782363835 /nfs/dbraw/zinc/36/38/35/782363835.db2.gz XGRGOBZNJAJUJG-PJXYFTJBSA-N 1 1 309.370 -1.335 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC001114623685 782364489 /nfs/dbraw/zinc/36/44/89/782364489.db2.gz CTBIPPNFNYDALR-IAZYJMLFSA-N 1 1 304.416 -1.257 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001114624011 782364763 /nfs/dbraw/zinc/36/47/63/782364763.db2.gz JVWIIYMIBCSTCZ-PJXYFTJBSA-N 1 1 316.427 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001114624564 782364814 /nfs/dbraw/zinc/36/48/14/782364814.db2.gz UWNZXVPLMCIOGQ-UXCLJVHYSA-N 1 1 320.415 -1.879 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001114624076 782364943 /nfs/dbraw/zinc/36/49/43/782364943.db2.gz KYBLMTDSNRMWPS-IAZYJMLFSA-N 1 1 320.415 -1.877 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114642293 782365274 /nfs/dbraw/zinc/36/52/74/782365274.db2.gz VDNKEBKTXFZNEL-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114642293 782365278 /nfs/dbraw/zinc/36/52/78/782365278.db2.gz VDNKEBKTXFZNEL-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114632288 782365306 /nfs/dbraw/zinc/36/53/06/782365306.db2.gz GLPSVQURVGZFOM-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114632288 782365313 /nfs/dbraw/zinc/36/53/13/782365313.db2.gz GLPSVQURVGZFOM-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)NC ZINC001114624750 782365534 /nfs/dbraw/zinc/36/55/34/782365534.db2.gz XVCYXNHCZBBSOL-IAZYJMLFSA-N 1 1 304.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001114627050 782365620 /nfs/dbraw/zinc/36/56/20/782365620.db2.gz PSVDNVNPTOKOCB-UNJBNNCHSA-N 1 1 321.381 -1.100 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001114627050 782365623 /nfs/dbraw/zinc/36/56/23/782365623.db2.gz PSVDNVNPTOKOCB-UNJBNNCHSA-N 1 1 321.381 -1.100 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)NCC1CC1 ZINC001114679368 782368957 /nfs/dbraw/zinc/36/89/57/782368957.db2.gz XFIWJICUFKEMBI-CIQGVGRVSA-N 1 1 320.393 -1.305 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)NCC1CC1 ZINC001114679368 782368967 /nfs/dbraw/zinc/36/89/67/782368967.db2.gz XFIWJICUFKEMBI-CIQGVGRVSA-N 1 1 320.393 -1.305 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114679301 782369309 /nfs/dbraw/zinc/36/93/09/782369309.db2.gz VURTVKJYEJWTHN-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114714143 782369756 /nfs/dbraw/zinc/36/97/56/782369756.db2.gz NTQNRBHPPHALKS-AQXBQRJASA-N 1 1 322.365 -1.491 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114714143 782369757 /nfs/dbraw/zinc/36/97/57/782369757.db2.gz NTQNRBHPPHALKS-AQXBQRJASA-N 1 1 322.365 -1.491 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1=O ZINC001114714551 782370045 /nfs/dbraw/zinc/37/00/45/782370045.db2.gz UWXSUENLGUPHFD-WYOJIJJFSA-N 1 1 323.353 -2.294 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1=O ZINC001114714551 782370054 /nfs/dbraw/zinc/37/00/54/782370054.db2.gz UWXSUENLGUPHFD-WYOJIJJFSA-N 1 1 323.353 -2.294 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114696098 782370293 /nfs/dbraw/zinc/37/02/93/782370293.db2.gz RAGUNCBNGOEEFT-KZVDOYCCSA-N 1 1 311.382 -1.338 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114739359 782371017 /nfs/dbraw/zinc/37/10/17/782371017.db2.gz OQDIUWDTGSQGEZ-WOFXILAISA-N 1 1 305.338 -1.434 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114739359 782371018 /nfs/dbraw/zinc/37/10/18/782371018.db2.gz OQDIUWDTGSQGEZ-WOFXILAISA-N 1 1 305.338 -1.434 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001114725915 782371085 /nfs/dbraw/zinc/37/10/85/782371085.db2.gz DJBMAODBFPZIDV-DIACKHNESA-N 1 1 311.382 -1.339 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114738096 782371396 /nfs/dbraw/zinc/37/13/96/782371396.db2.gz BDKHAEVIXNFFAP-JYAVWHMHSA-N 1 1 321.381 -1.019 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114738096 782371404 /nfs/dbraw/zinc/37/14/04/782371404.db2.gz BDKHAEVIXNFFAP-JYAVWHMHSA-N 1 1 321.381 -1.019 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114671069 782368090 /nfs/dbraw/zinc/36/80/90/782368090.db2.gz BTVACKMOIFMWJX-MIZYBKAJSA-N 1 1 309.370 -1.808 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114671069 782368099 /nfs/dbraw/zinc/36/80/99/782368099.db2.gz BTVACKMOIFMWJX-MIZYBKAJSA-N 1 1 309.370 -1.808 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001114757854 782374101 /nfs/dbraw/zinc/37/41/01/782374101.db2.gz RQSILKXFHRQMRY-IMRBUKKESA-N 1 1 316.361 -1.166 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001114757854 782374114 /nfs/dbraw/zinc/37/41/14/782374114.db2.gz RQSILKXFHRQMRY-IMRBUKKESA-N 1 1 316.361 -1.166 20 0 DAADMO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752373 782374234 /nfs/dbraw/zinc/37/42/34/782374234.db2.gz BYVRHXULYAFYHT-URLYPYJESA-N 1 1 317.411 -1.269 20 0 DAADMO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752373 782374244 /nfs/dbraw/zinc/37/42/44/782374244.db2.gz BYVRHXULYAFYHT-URLYPYJESA-N 1 1 317.411 -1.269 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114757212 782374903 /nfs/dbraw/zinc/37/49/03/782374903.db2.gz HHNKMGDRKHMDLM-HXFLIBJXSA-N 1 1 323.353 -2.118 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114757212 782374911 /nfs/dbraw/zinc/37/49/11/782374911.db2.gz HHNKMGDRKHMDLM-HXFLIBJXSA-N 1 1 323.353 -2.118 20 0 DAADMO Cc1nocc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114761032 782375271 /nfs/dbraw/zinc/37/52/71/782375271.db2.gz FIMKOCTUEMJRSX-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO Cc1nocc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114761032 782375281 /nfs/dbraw/zinc/37/52/81/782375281.db2.gz FIMKOCTUEMJRSX-VROVMSAKSA-N 1 1 307.310 -1.162 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114810038 782378272 /nfs/dbraw/zinc/37/82/72/782378272.db2.gz KXTAKSCXJVSWQE-XQHKEYJVSA-N 1 1 309.370 -1.014 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001114764231 782376294 /nfs/dbraw/zinc/37/62/94/782376294.db2.gz QELLULCYJDRDEY-IAZYJMLFSA-N 1 1 306.366 -1.423 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001114764231 782376307 /nfs/dbraw/zinc/37/63/07/782376307.db2.gz QELLULCYJDRDEY-IAZYJMLFSA-N 1 1 306.366 -1.423 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114763429 782376331 /nfs/dbraw/zinc/37/63/31/782376331.db2.gz DUGNUHGQXLVZJK-KXNHARMFSA-N 1 1 320.393 -1.081 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114764366 782376519 /nfs/dbraw/zinc/37/65/19/782376519.db2.gz SQNLGSFFWSULCU-MBTKJCJQSA-N 1 1 323.353 -2.246 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114764366 782376530 /nfs/dbraw/zinc/37/65/30/782376530.db2.gz SQNLGSFFWSULCU-MBTKJCJQSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001114787098 782377784 /nfs/dbraw/zinc/37/77/84/782377784.db2.gz LGEFTNXZZJKRGH-JIWZRMEJSA-N 1 1 323.353 -2.104 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001114787098 782377791 /nfs/dbraw/zinc/37/77/91/782377791.db2.gz LGEFTNXZZJKRGH-JIWZRMEJSA-N 1 1 323.353 -2.104 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787683 782377981 /nfs/dbraw/zinc/37/79/81/782377981.db2.gz XGKULOAXXPZFGQ-JAKMQLQISA-N 1 1 324.316 -1.208 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1F ZINC001114787683 782377992 /nfs/dbraw/zinc/37/79/92/782377992.db2.gz XGKULOAXXPZFGQ-JAKMQLQISA-N 1 1 324.316 -1.208 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741724 782372375 /nfs/dbraw/zinc/37/23/75/782372375.db2.gz VCDGRJTYKQZRGW-MUYACECFSA-N 1 1 324.381 -1.147 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746661 782372391 /nfs/dbraw/zinc/37/23/91/782372391.db2.gz WVUIGZURYZWICT-XZUYRWCXSA-N 1 1 323.397 -1.419 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)c1ccco1 ZINC001114752728 782373451 /nfs/dbraw/zinc/37/34/51/782373451.db2.gz KDDJXKXANPRMIE-DNJQJEMRSA-N 1 1 320.349 -1.012 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)c1ccco1 ZINC001114752728 782373461 /nfs/dbraw/zinc/37/34/61/782373461.db2.gz KDDJXKXANPRMIE-DNJQJEMRSA-N 1 1 320.349 -1.012 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001114753460 782373514 /nfs/dbraw/zinc/37/35/14/782373514.db2.gz WEBRKERTSFHAIK-IAZYJMLFSA-N 1 1 322.390 -1.104 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001114753460 782373525 /nfs/dbraw/zinc/37/35/25/782373525.db2.gz WEBRKERTSFHAIK-IAZYJMLFSA-N 1 1 322.390 -1.104 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CCNC1=O ZINC001114826096 782378957 /nfs/dbraw/zinc/37/89/57/782378957.db2.gz CZZJUGCAHNEEFT-OXJKWZBOSA-N 1 1 311.382 -1.432 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114832719 782379648 /nfs/dbraw/zinc/37/96/48/782379648.db2.gz WSZDBEAAOGWPAK-PUHVVEEASA-N 1 1 323.397 -1.288 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114836026 782380132 /nfs/dbraw/zinc/38/01/32/782380132.db2.gz VZDQXLNIGVVIRN-OQEOFVATSA-N 1 1 308.382 -1.368 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838333 782380876 /nfs/dbraw/zinc/38/08/76/782380876.db2.gz WIBQIVGKRPLOAK-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838333 782380883 /nfs/dbraw/zinc/38/08/83/782380883.db2.gz WIBQIVGKRPLOAK-OQEOFVATSA-N 1 1 308.382 -1.320 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114839436 782380902 /nfs/dbraw/zinc/38/09/02/782380902.db2.gz APCLNAUFAIDSPH-CXTNEJHOSA-N 1 1 323.397 -1.199 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001114842767 782381075 /nfs/dbraw/zinc/38/10/75/782381075.db2.gz AXWMUVVZVJMKRS-WOFXILAISA-N 1 1 319.365 -1.090 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001114842767 782381076 /nfs/dbraw/zinc/38/10/76/782381076.db2.gz AXWMUVVZVJMKRS-WOFXILAISA-N 1 1 319.365 -1.090 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)[nH]1 ZINC001114841060 782381094 /nfs/dbraw/zinc/38/10/94/782381094.db2.gz QVZOMOLQWBSJDK-IWIIMEHWSA-N 1 1 322.365 -1.218 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001114841381 782381207 /nfs/dbraw/zinc/38/12/07/782381207.db2.gz VIBGENMWCZHGKY-DNJQJEMRSA-N 1 1 322.365 -1.219 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114889769 782386942 /nfs/dbraw/zinc/38/69/42/782386942.db2.gz YSEXVCFESAGMPF-UKKRHICBSA-N 1 1 305.400 -1.647 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114889824 782386977 /nfs/dbraw/zinc/38/69/77/782386977.db2.gz ZFQBZTOHRKLPNM-BXSSEVMYSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114889824 782386986 /nfs/dbraw/zinc/38/69/86/782386986.db2.gz ZFQBZTOHRKLPNM-BXSSEVMYSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114888942 782387087 /nfs/dbraw/zinc/38/70/87/782387087.db2.gz QNWVFVOQTDOXFH-ODXREFDESA-N 1 1 304.372 -2.544 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114888942 782387097 /nfs/dbraw/zinc/38/70/97/782387097.db2.gz QNWVFVOQTDOXFH-ODXREFDESA-N 1 1 304.372 -2.544 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)N(C)C ZINC001114895349 782387676 /nfs/dbraw/zinc/38/76/76/782387676.db2.gz VTMSUEFYCYSGOZ-UXCLJVHYSA-N 1 1 320.415 -2.190 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114921696 782388245 /nfs/dbraw/zinc/38/82/45/782388245.db2.gz RFBTWKTZIXUNCM-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114921696 782388257 /nfs/dbraw/zinc/38/82/57/782388257.db2.gz RFBTWKTZIXUNCM-GDGBQDQQSA-N 1 1 320.353 -1.242 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C(N)=O ZINC001114933338 782388621 /nfs/dbraw/zinc/38/86/21/782388621.db2.gz UDKRNBOBXGQUGL-KIKITERTSA-N 1 1 311.342 -3.102 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C(N)=O ZINC001114933338 782388624 /nfs/dbraw/zinc/38/86/24/782388624.db2.gz UDKRNBOBXGQUGL-KIKITERTSA-N 1 1 311.342 -3.102 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)C(N)=O ZINC001114932079 782388749 /nfs/dbraw/zinc/38/87/49/782388749.db2.gz FGIXDZHAHIJFBE-SRRSOLGSSA-N 1 1 314.361 -1.228 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001041056375 782389696 /nfs/dbraw/zinc/38/96/96/782389696.db2.gz BQUNODMZQJOPMV-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114861763 782383764 /nfs/dbraw/zinc/38/37/64/782383764.db2.gz IFXXZRRPYNWDPJ-IMRBUKKESA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114861763 782383771 /nfs/dbraw/zinc/38/37/71/782383771.db2.gz IFXXZRRPYNWDPJ-IMRBUKKESA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114861763 782383776 /nfs/dbraw/zinc/38/37/76/782383776.db2.gz IFXXZRRPYNWDPJ-IMRBUKKESA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114861763 782383783 /nfs/dbraw/zinc/38/37/83/782383783.db2.gz IFXXZRRPYNWDPJ-IMRBUKKESA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114861763 782383789 /nfs/dbraw/zinc/38/37/89/782383789.db2.gz IFXXZRRPYNWDPJ-IMRBUKKESA-N 1 1 309.370 -1.207 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114859563 782383978 /nfs/dbraw/zinc/38/39/78/782383978.db2.gz RMKVKQJIDCKTPS-NMKXLXIOSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859563 782383986 /nfs/dbraw/zinc/38/39/86/782383986.db2.gz RMKVKQJIDCKTPS-NMKXLXIOSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114859563 782383994 /nfs/dbraw/zinc/38/39/94/782383994.db2.gz RMKVKQJIDCKTPS-NMKXLXIOSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114859563 782383999 /nfs/dbraw/zinc/38/39/99/782383999.db2.gz RMKVKQJIDCKTPS-NMKXLXIOSA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114859563 782384005 /nfs/dbraw/zinc/38/40/05/782384005.db2.gz RMKVKQJIDCKTPS-NMKXLXIOSA-N 1 1 309.370 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114889399 782386901 /nfs/dbraw/zinc/38/69/01/782386901.db2.gz WKHSUWFBGDWMEN-REIXXSIJSA-N 1 1 318.399 -2.284 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114889399 782386910 /nfs/dbraw/zinc/38/69/10/782386910.db2.gz WKHSUWFBGDWMEN-REIXXSIJSA-N 1 1 318.399 -2.284 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)O1 ZINC001043066875 782395403 /nfs/dbraw/zinc/39/54/03/782395403.db2.gz IBGYWKSEIDCORP-ZYHUDNBSSA-N 1 1 323.401 -1.428 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3nnn(C)n3)C2)O1 ZINC001043066875 782395411 /nfs/dbraw/zinc/39/54/11/782395411.db2.gz IBGYWKSEIDCORP-ZYHUDNBSSA-N 1 1 323.401 -1.428 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C2CC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001043374721 782399265 /nfs/dbraw/zinc/39/92/65/782399265.db2.gz WESSBGZPKKMNHY-QWHCGFSZSA-N 1 1 323.393 -1.051 20 0 DAADMO CNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043070389 782395967 /nfs/dbraw/zinc/39/59/67/782395967.db2.gz NAHFFWMJGLHCDN-NTZNESFSSA-N 1 1 312.414 -1.017 20 0 DAADMO CNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043070389 782395978 /nfs/dbraw/zinc/39/59/78/782395978.db2.gz NAHFFWMJGLHCDN-NTZNESFSSA-N 1 1 312.414 -1.017 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)O1 ZINC001043066617 782396081 /nfs/dbraw/zinc/39/60/81/782396081.db2.gz DNJDAIFAJCBBOV-KGYLQXTDSA-N 1 1 310.398 -1.263 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)O1 ZINC001043066617 782396087 /nfs/dbraw/zinc/39/60/87/782396087.db2.gz DNJDAIFAJCBBOV-KGYLQXTDSA-N 1 1 310.398 -1.263 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043704792 782402489 /nfs/dbraw/zinc/40/24/89/782402489.db2.gz QGAAFSCADKCNII-NEPJUHHUSA-N 1 1 322.369 -1.932 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001047627150 782407491 /nfs/dbraw/zinc/40/74/91/782407491.db2.gz MDTCOSJJWQPNKI-SRVKXCTJSA-N 1 1 323.401 -1.835 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001095954292 782404173 /nfs/dbraw/zinc/40/41/73/782404173.db2.gz NMHOLNGQKLRTBM-VGMNWLOBSA-N 1 1 309.326 -2.255 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001095954292 782404179 /nfs/dbraw/zinc/40/41/79/782404179.db2.gz NMHOLNGQKLRTBM-VGMNWLOBSA-N 1 1 309.326 -2.255 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)n(C)c1=O ZINC001096092543 782404578 /nfs/dbraw/zinc/40/45/78/782404578.db2.gz LNTIGUWEWVUYHW-USWWRNFRSA-N 1 1 322.365 -1.589 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096183351 782405600 /nfs/dbraw/zinc/40/56/00/782405600.db2.gz ZVKWLOSQGLICPA-VWYCJHECSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001095948281 782400571 /nfs/dbraw/zinc/40/05/71/782400571.db2.gz URIPEOHGCQWTHY-RHYQMDGZSA-N 1 1 319.369 -1.319 20 0 DAADMO Cc1cc(N2CCN(CCNC(=O)C(N)=O)CC2)nc(C)[nH+]1 ZINC001096304720 782409485 /nfs/dbraw/zinc/40/94/85/782409485.db2.gz SYGQXGNUGGGMJN-UHFFFAOYSA-N 1 1 306.370 -1.183 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001096334291 782411115 /nfs/dbraw/zinc/41/11/15/782411115.db2.gz DMOPRQCMAGDEGX-USZNOCQGSA-N 1 1 324.381 -1.017 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047630829 782407925 /nfs/dbraw/zinc/40/79/25/782407925.db2.gz BFCFXIDOBUXIHZ-SRVKXCTJSA-N 1 1 317.411 -1.408 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001047629206 782408110 /nfs/dbraw/zinc/40/81/10/782408110.db2.gz STTOTLITAFDTAK-UBHSHLNASA-N 1 1 322.413 -1.230 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047630816 782408144 /nfs/dbraw/zinc/40/81/44/782408144.db2.gz ARNCZXZPLANMCU-UTLUCORTSA-N 1 1 307.372 -2.826 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(c2nccnc2F)CC1 ZINC001096256490 782408519 /nfs/dbraw/zinc/40/85/19/782408519.db2.gz DCTZZOPUMQEFLE-UHFFFAOYSA-N 1 1 310.333 -1.271 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001096489795 782412809 /nfs/dbraw/zinc/41/28/09/782412809.db2.gz HFMDIRNDDDFJNR-QCMRWSPLSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001096489795 782412811 /nfs/dbraw/zinc/41/28/11/782412811.db2.gz HFMDIRNDDDFJNR-QCMRWSPLSA-N 1 1 319.365 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001096680409 782415114 /nfs/dbraw/zinc/41/51/14/782415114.db2.gz KMQGFFVLLFRJFG-ZNSHCXBVSA-N 1 1 322.365 -1.493 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096609504 782413588 /nfs/dbraw/zinc/41/35/88/782413588.db2.gz PSGSXDLUSNUUFJ-WYFGTUCQSA-N 1 1 322.369 -1.521 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001096502123 782414062 /nfs/dbraw/zinc/41/40/62/782414062.db2.gz OXPOCQHJPPSBPR-VWYCJHECSA-N 1 1 310.354 -1.358 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1=O ZINC001096504237 782414966 /nfs/dbraw/zinc/41/49/66/782414966.db2.gz ZZWQCSCBSFPZHY-VWYCJHECSA-N 1 1 310.354 -1.406 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001096680409 782415113 /nfs/dbraw/zinc/41/51/13/782415113.db2.gz KMQGFFVLLFRJFG-ZNSHCXBVSA-N 1 1 322.365 -1.493 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001096779165 782416129 /nfs/dbraw/zinc/41/61/29/782416129.db2.gz SHFDMEJIOKOWEU-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001096779165 782416132 /nfs/dbraw/zinc/41/61/32/782416132.db2.gz SHFDMEJIOKOWEU-WISYIIOYSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001096778302 782416726 /nfs/dbraw/zinc/41/67/26/782416726.db2.gz IDVKSMWROGRZCC-CHWFTXMASA-N 1 1 305.342 -1.717 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001096778302 782416732 /nfs/dbraw/zinc/41/67/32/782416732.db2.gz IDVKSMWROGRZCC-CHWFTXMASA-N 1 1 305.342 -1.717 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096975534 782417485 /nfs/dbraw/zinc/41/74/85/782417485.db2.gz MWEKEPVLOKXZIR-LPWJVIDDSA-N 1 1 310.398 -1.086 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096975534 782417489 /nfs/dbraw/zinc/41/74/89/782417489.db2.gz MWEKEPVLOKXZIR-LPWJVIDDSA-N 1 1 310.398 -1.086 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378394 782421827 /nfs/dbraw/zinc/42/18/27/782421827.db2.gz LKLOZVFSTHJJEP-UTUOFQBUSA-N 1 1 309.370 -1.050 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001097105107 782419393 /nfs/dbraw/zinc/41/93/93/782419393.db2.gz SGANQOQAZLHCID-DBIOUOCHSA-N 1 1 322.369 -1.521 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001097081768 782419672 /nfs/dbraw/zinc/41/96/72/782419672.db2.gz OCDPIEGXGOBVKJ-UTUOFQBUSA-N 1 1 317.357 -1.314 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001097081907 782419732 /nfs/dbraw/zinc/41/97/32/782419732.db2.gz VIOUZJFLBQGQIG-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001097081907 782419738 /nfs/dbraw/zinc/41/97/38/782419738.db2.gz VIOUZJFLBQGQIG-WYUUTHIRSA-N 1 1 319.369 -1.327 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001097105108 782420098 /nfs/dbraw/zinc/42/00/98/782420098.db2.gz SGANQOQAZLHCID-ZDCRXTMVSA-N 1 1 322.369 -1.521 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)CC1=O ZINC001097374600 782421931 /nfs/dbraw/zinc/42/19/31/782421931.db2.gz BUSAIGZATXRFAK-UPJWGTAASA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378915 782421489 /nfs/dbraw/zinc/42/14/89/782421489.db2.gz PXQMXUCMXNNJRA-ZDCRXTMVSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378915 782421501 /nfs/dbraw/zinc/42/15/01/782421501.db2.gz PXQMXUCMXNNJRA-ZDCRXTMVSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096781842 782415740 /nfs/dbraw/zinc/41/57/40/782415740.db2.gz GWJYXJCEKMUQRO-QCNOEVLYSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096781842 782415744 /nfs/dbraw/zinc/41/57/44/782415744.db2.gz GWJYXJCEKMUQRO-QCNOEVLYSA-N 1 1 321.385 -1.129 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782194 782415833 /nfs/dbraw/zinc/41/58/33/782415833.db2.gz VJRCRBWEDWMEMF-DBIOUOCHSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782194 782415836 /nfs/dbraw/zinc/41/58/36/782415836.db2.gz VJRCRBWEDWMEMF-DBIOUOCHSA-N 1 1 307.358 -1.471 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378914 782422683 /nfs/dbraw/zinc/42/26/83/782422683.db2.gz PXQMXUCMXNNJRA-DBIOUOCHSA-N 1 1 322.369 -1.823 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378914 782422688 /nfs/dbraw/zinc/42/26/88/782422688.db2.gz PXQMXUCMXNNJRA-DBIOUOCHSA-N 1 1 322.369 -1.823 20 0 DAADMO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573162 782424183 /nfs/dbraw/zinc/42/41/83/782424183.db2.gz LNBRVPIEXTXALB-ZNSHCXBVSA-N 1 1 315.395 -1.359 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573162 782424185 /nfs/dbraw/zinc/42/41/85/782424185.db2.gz LNBRVPIEXTXALB-ZNSHCXBVSA-N 1 1 315.395 -1.359 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097642868 782424222 /nfs/dbraw/zinc/42/42/22/782424222.db2.gz QDHUXHDDGMBRIL-KKOKHZNYSA-N 1 1 323.397 -1.987 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001097642868 782424225 /nfs/dbraw/zinc/42/42/25/782424225.db2.gz QDHUXHDDGMBRIL-KKOKHZNYSA-N 1 1 323.397 -1.987 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097755048 782425689 /nfs/dbraw/zinc/42/56/89/782425689.db2.gz CBMFDZRARYOKEM-DBIOUOCHSA-N 1 1 309.370 -1.523 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2 ZINC001097755048 782425696 /nfs/dbraw/zinc/42/56/96/782425696.db2.gz CBMFDZRARYOKEM-DBIOUOCHSA-N 1 1 309.370 -1.523 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001097767865 782427254 /nfs/dbraw/zinc/42/72/54/782427254.db2.gz OTSQUUHSAIVEPL-KXNHARMFSA-N 1 1 307.354 -1.549 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768750 782427322 /nfs/dbraw/zinc/42/73/22/782427322.db2.gz RTBDPLRHICRFAL-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768750 782427327 /nfs/dbraw/zinc/42/73/27/782427327.db2.gz RTBDPLRHICRFAL-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768752 782427522 /nfs/dbraw/zinc/42/75/22/782427522.db2.gz RTBDPLRHICRFAL-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Nc1ccc2nnnn2n1 ZINC001097768752 782427524 /nfs/dbraw/zinc/42/75/24/782427524.db2.gz RTBDPLRHICRFAL-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097767370 782427566 /nfs/dbraw/zinc/42/75/66/782427566.db2.gz DBASBMBGHUIPAD-BBBLOLIVSA-N 1 1 308.338 -1.658 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097767370 782427570 /nfs/dbraw/zinc/42/75/70/782427570.db2.gz DBASBMBGHUIPAD-BBBLOLIVSA-N 1 1 308.338 -1.658 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@H](N2CCN(CCO)CC2)C1 ZINC001052098458 782432690 /nfs/dbraw/zinc/43/26/90/782432690.db2.gz JYYIKDWDLHIFRH-KBPBESRZSA-N 1 1 324.425 -1.134 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098051892 782433889 /nfs/dbraw/zinc/43/38/89/782433889.db2.gz ZVKWLOSQGLICPA-MXWKQRLJSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001276388967 782438455 /nfs/dbraw/zinc/43/84/55/782438455.db2.gz MWOGFCMBYXQYOT-PSASIEDQSA-N 1 1 324.381 -1.260 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905747 782434986 /nfs/dbraw/zinc/43/49/86/782434986.db2.gz NLICHMMYMWLEFW-AGIUHOORSA-N 1 1 308.386 -1.030 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069905539 782435236 /nfs/dbraw/zinc/43/52/36/782435236.db2.gz CGGPFVBAENPJLQ-FRRDWIJNSA-N 1 1 324.385 -2.058 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069905539 782435239 /nfs/dbraw/zinc/43/52/39/782435239.db2.gz CGGPFVBAENPJLQ-FRRDWIJNSA-N 1 1 324.385 -2.058 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)C1=CCOCC1 ZINC001069913873 782436532 /nfs/dbraw/zinc/43/65/32/782436532.db2.gz FPVFDQOZOZMQAO-OLZOCXBDSA-N 1 1 307.354 -1.041 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)C1=CCOCC1 ZINC001069913873 782436536 /nfs/dbraw/zinc/43/65/36/782436536.db2.gz FPVFDQOZOZMQAO-OLZOCXBDSA-N 1 1 307.354 -1.041 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069911907 782436837 /nfs/dbraw/zinc/43/68/37/782436837.db2.gz CZWJJYKEKAZUBI-ZJUUUORDSA-N 1 1 322.329 -2.391 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069911907 782436843 /nfs/dbraw/zinc/43/68/43/782436843.db2.gz CZWJJYKEKAZUBI-ZJUUUORDSA-N 1 1 322.329 -2.391 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)c1N ZINC001069912973 782437139 /nfs/dbraw/zinc/43/71/39/782437139.db2.gz JGBSDEPLSLVQGE-MNOVXSKESA-N 1 1 320.357 -1.759 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)c1N ZINC001069912973 782437145 /nfs/dbraw/zinc/43/71/45/782437145.db2.gz JGBSDEPLSLVQGE-MNOVXSKESA-N 1 1 320.357 -1.759 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069916246 782437233 /nfs/dbraw/zinc/43/72/33/782437233.db2.gz MRNDDQYLVIJURQ-OLZOCXBDSA-N 1 1 322.369 -1.910 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1 ZINC001069916246 782437242 /nfs/dbraw/zinc/43/72/42/782437242.db2.gz MRNDDQYLVIJURQ-OLZOCXBDSA-N 1 1 322.369 -1.910 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](n2ccnn2)C1 ZINC001069912066 782437317 /nfs/dbraw/zinc/43/73/17/782437317.db2.gz LVKVDIHUGRBUPU-ZJUUUORDSA-N 1 1 306.330 -1.363 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCNC(=O)C1 ZINC001069909018 782437339 /nfs/dbraw/zinc/43/73/39/782437339.db2.gz CAOKLFGLGLGCBC-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCNC(=O)C1 ZINC001069909018 782437343 /nfs/dbraw/zinc/43/73/43/782437343.db2.gz CAOKLFGLGLGCBC-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098667418 782444766 /nfs/dbraw/zinc/44/47/66/782444766.db2.gz YZYAXJSWMIIGSZ-MNOVXSKESA-N 1 1 324.341 -1.758 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)O)c(=O)n1C ZINC001098309061 782439385 /nfs/dbraw/zinc/43/93/85/782439385.db2.gz ZKQLRULVQAOVJY-JHEVNIALSA-N 1 1 323.397 -1.007 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)n1C ZINC001098308771 782439645 /nfs/dbraw/zinc/43/96/45/782439645.db2.gz RPPHLLSTLNUONZ-UTUOFQBUSA-N 1 1 309.370 -1.396 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001098787918 782445269 /nfs/dbraw/zinc/44/52/69/782445269.db2.gz JCDUGFXNZZAJOI-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001098787918 782445273 /nfs/dbraw/zinc/44/52/73/782445273.db2.gz JCDUGFXNZZAJOI-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098464204 782441143 /nfs/dbraw/zinc/44/11/43/782441143.db2.gz PSGSXDLUSNUUFJ-XNDJQWLSSA-N 1 1 322.369 -1.521 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001098446744 782441631 /nfs/dbraw/zinc/44/16/31/782441631.db2.gz KWIYDMLIYGMXSQ-NDBYEHHHSA-N 1 1 310.398 -1.086 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001098446744 782441637 /nfs/dbraw/zinc/44/16/37/782441637.db2.gz KWIYDMLIYGMXSQ-NDBYEHHHSA-N 1 1 310.398 -1.086 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001098462494 782441717 /nfs/dbraw/zinc/44/17/17/782441717.db2.gz XILOFMXUTMDSLP-UHFFFAOYSA-N 1 1 323.353 -1.846 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)[C@H]1CCS(=O)(=O)N1 ZINC001098428695 782441955 /nfs/dbraw/zinc/44/19/55/782441955.db2.gz OOJVBHMBQAOZKD-DBIOUOCHSA-N 1 1 303.384 -1.608 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098464203 782442162 /nfs/dbraw/zinc/44/21/62/782442162.db2.gz PSGSXDLUSNUUFJ-BFLSOPEQSA-N 1 1 322.369 -1.521 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471764 782442178 /nfs/dbraw/zinc/44/21/78/782442178.db2.gz YQJMQWATSHHTBO-ZDCRXTMVSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001098471764 782442182 /nfs/dbraw/zinc/44/21/82/782442182.db2.gz YQJMQWATSHHTBO-ZDCRXTMVSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001098480964 782442305 /nfs/dbraw/zinc/44/23/05/782442305.db2.gz FSDDCGRWVQNOMG-UHTWSYAYSA-N 1 1 313.398 -1.226 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098441412 782442388 /nfs/dbraw/zinc/44/23/88/782442388.db2.gz NOSDTVPXRGEPCF-YIYPIFLZSA-N 1 1 311.382 -1.053 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001098446743 782442497 /nfs/dbraw/zinc/44/24/97/782442497.db2.gz KWIYDMLIYGMXSQ-FVCCEPFGSA-N 1 1 310.398 -1.086 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001098446743 782442498 /nfs/dbraw/zinc/44/24/98/782442498.db2.gz KWIYDMLIYGMXSQ-FVCCEPFGSA-N 1 1 310.398 -1.086 20 0 DAADMO Cn1ncc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)n1 ZINC001098498744 782442592 /nfs/dbraw/zinc/44/25/92/782442592.db2.gz YOETUDSRQJXSKV-UHFFFAOYSA-N 1 1 310.358 -1.801 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098619060 782443462 /nfs/dbraw/zinc/44/34/62/782443462.db2.gz RWYPCQUZTDDLRE-CYBMUJFWSA-N 1 1 324.385 -1.388 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098667417 782443871 /nfs/dbraw/zinc/44/38/71/782443871.db2.gz YZYAXJSWMIIGSZ-GHMZBOCLSA-N 1 1 324.341 -1.758 20 0 DAADMO O=C(c1cn[nH]n1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098688694 782443903 /nfs/dbraw/zinc/44/39/03/782443903.db2.gz WDKSHESLDJJQIS-SNVBAGLBSA-N 1 1 306.330 -1.435 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099613213 782453481 /nfs/dbraw/zinc/45/34/81/782453481.db2.gz GBNFDJBTDOLLGC-QWRGUYRKSA-N 1 1 313.354 -1.667 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](NC(C)=O)[C@@H](O)C1 ZINC001099611425 782453996 /nfs/dbraw/zinc/45/39/96/782453996.db2.gz QRZKQCXKOAYCKF-NEPJUHHUSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098706134 782445592 /nfs/dbraw/zinc/44/55/92/782445592.db2.gz SHVNVZHXJQFMBZ-GHMZBOCLSA-N 1 1 323.357 -2.185 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098727970 782445644 /nfs/dbraw/zinc/44/56/44/782445644.db2.gz KKJIBMIPTZNYIS-TUAOUCFPSA-N 1 1 322.369 -1.745 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098839357 782445801 /nfs/dbraw/zinc/44/58/01/782445801.db2.gz MDDUYYAYSVRHIF-MJVIPROJSA-N 1 1 321.385 -1.222 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098745358 782446031 /nfs/dbraw/zinc/44/60/31/782446031.db2.gz IPRNTORCYGOREB-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO O=C(c1nc[nH]n1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098752372 782446465 /nfs/dbraw/zinc/44/64/65/782446465.db2.gz XEJBVGZZRWZIHM-JTQLQIEISA-N 1 1 306.330 -1.435 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098723400 782446581 /nfs/dbraw/zinc/44/65/81/782446581.db2.gz JIRGIFTZJIHOKP-MJVIPROJSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098801480 782446620 /nfs/dbraw/zinc/44/66/20/782446620.db2.gz UXXIQVBYTJZHBY-BFVZDQMLSA-N 1 1 322.369 -1.172 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001098800829 782446662 /nfs/dbraw/zinc/44/66/62/782446662.db2.gz UETYDHABFWUCBB-ZOWXZIJZSA-N 1 1 310.398 -1.227 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001098800829 782446668 /nfs/dbraw/zinc/44/66/68/782446668.db2.gz UETYDHABFWUCBB-ZOWXZIJZSA-N 1 1 310.398 -1.227 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607916 782454572 /nfs/dbraw/zinc/45/45/72/782454572.db2.gz SQPYKWWTGZHVEA-HTQZYQBOSA-N 1 1 315.342 -1.648 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)O1 ZINC001099025018 782447514 /nfs/dbraw/zinc/44/75/14/782447514.db2.gz JPWBCXRSPMCNGE-OHTBPHCPSA-N 1 1 311.382 -1.018 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)NC1=O ZINC001098974618 782447653 /nfs/dbraw/zinc/44/76/53/782447653.db2.gz ZVZOPIZQTXDNPD-BHDSKKPTSA-N 1 1 309.370 -1.534 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)NC1=O ZINC001098974618 782447659 /nfs/dbraw/zinc/44/76/59/782447659.db2.gz ZVZOPIZQTXDNPD-BHDSKKPTSA-N 1 1 309.370 -1.534 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099607916 782454577 /nfs/dbraw/zinc/45/45/77/782454577.db2.gz SQPYKWWTGZHVEA-HTQZYQBOSA-N 1 1 315.342 -1.648 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001099005674 782448033 /nfs/dbraw/zinc/44/80/33/782448033.db2.gz AEHNCKWGOGRVLN-FZNYLWTLSA-N 1 1 308.338 -1.752 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001099080976 782448107 /nfs/dbraw/zinc/44/81/07/782448107.db2.gz MCDCLNRRVDVFHH-PGUXBMHVSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001099080073 782448182 /nfs/dbraw/zinc/44/81/82/782448182.db2.gz BFCYNMMSEGPLDX-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CC(=O)NC2=O)C1 ZINC001099080073 782448185 /nfs/dbraw/zinc/44/81/85/782448185.db2.gz BFCYNMMSEGPLDX-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001099001056 782448322 /nfs/dbraw/zinc/44/83/22/782448322.db2.gz YKLNZCAWZIAAAU-XPTSAGLGSA-N 1 1 305.338 -1.161 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001099001056 782448327 /nfs/dbraw/zinc/44/83/27/782448327.db2.gz YKLNZCAWZIAAAU-XPTSAGLGSA-N 1 1 305.338 -1.161 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001099081092 782448525 /nfs/dbraw/zinc/44/85/25/782448525.db2.gz NRFMZZKLQJKNPV-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 ZINC001098974249 782448703 /nfs/dbraw/zinc/44/87/03/782448703.db2.gz LFTICBXVWBWLQL-WWGRRREGSA-N 1 1 324.425 -1.230 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099611427 782454149 /nfs/dbraw/zinc/45/41/49/782454149.db2.gz QRZKQCXKOAYCKF-RYUDHWBXSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 ZINC001098974613 782449088 /nfs/dbraw/zinc/44/90/88/782449088.db2.gz ZTJSNKAJJDPDII-NHYWBVRUSA-N 1 1 323.397 -2.126 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 ZINC001098974613 782449090 /nfs/dbraw/zinc/44/90/90/782449090.db2.gz ZTJSNKAJJDPDII-NHYWBVRUSA-N 1 1 323.397 -2.126 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C(F)(F)F ZINC001099289831 782450544 /nfs/dbraw/zinc/45/05/44/782450544.db2.gz DJUUBTLSTRZDFP-BWZBUEFSSA-N 1 1 322.287 -1.413 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@@H]1CCS(=O)(=O)N1 ZINC001099168010 782450561 /nfs/dbraw/zinc/45/05/61/782450561.db2.gz CWDLZIURBNROIZ-GVXVVHGQSA-N 1 1 317.411 -1.359 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)ccc1=O ZINC001099148182 782450628 /nfs/dbraw/zinc/45/06/28/782450628.db2.gz ACKQZJVWQNDFNL-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)ccc1=O ZINC001099148182 782450632 /nfs/dbraw/zinc/45/06/32/782450632.db2.gz ACKQZJVWQNDFNL-BONVTDFDSA-N 1 1 319.365 -1.150 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1CCOCC1 ZINC001099610773 782454290 /nfs/dbraw/zinc/45/42/90/782454290.db2.gz LCEPDBFEVOUZGU-KBPBESRZSA-N 1 1 316.398 -1.027 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099228260 782450745 /nfs/dbraw/zinc/45/07/45/782450745.db2.gz OHLRJASNCASUCK-GJMOJQLCSA-N 1 1 322.287 -1.271 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099520015 782451718 /nfs/dbraw/zinc/45/17/18/782451718.db2.gz LIKWUGCBKVUBDA-JXUBOQSCSA-N 1 1 323.353 -2.165 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCNC(N)=O ZINC001099552869 782451765 /nfs/dbraw/zinc/45/17/65/782451765.db2.gz PXPLEDOJBDPWBR-YFKTTZPYSA-N 1 1 323.397 -1.301 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCNC(N)=O ZINC001099552868 782451882 /nfs/dbraw/zinc/45/18/82/782451882.db2.gz PXPLEDOJBDPWBR-USZNOCQGSA-N 1 1 323.397 -1.301 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099519641 782452048 /nfs/dbraw/zinc/45/20/48/782452048.db2.gz JABIHNGIUDDDLV-QCNOEVLYSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnccn1 ZINC001099625132 782455648 /nfs/dbraw/zinc/45/56/48/782455648.db2.gz WTUZZRWWFQODTM-DGCLKSJQSA-N 1 1 310.354 -1.350 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099647868 782461590 /nfs/dbraw/zinc/46/15/90/782461590.db2.gz KSUBFDIDZPAFNK-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099629741 782456937 /nfs/dbraw/zinc/45/69/37/782456937.db2.gz GYZZPEYVMGHILP-KBPBESRZSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099629903 782456991 /nfs/dbraw/zinc/45/69/91/782456991.db2.gz JGEGQHFUXBFHQX-RYUDHWBXSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001099629903 782456997 /nfs/dbraw/zinc/45/69/97/782456997.db2.gz JGEGQHFUXBFHQX-RYUDHWBXSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099630041 782457258 /nfs/dbraw/zinc/45/72/58/782457258.db2.gz LIGBKNRPDQOCPY-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099630041 782457262 /nfs/dbraw/zinc/45/72/62/782457262.db2.gz LIGBKNRPDQOCPY-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099629686 782457331 /nfs/dbraw/zinc/45/73/31/782457331.db2.gz GHWBSRDRCOIMMM-MNOVXSKESA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099629686 782457337 /nfs/dbraw/zinc/45/73/37/782457337.db2.gz GHWBSRDRCOIMMM-MNOVXSKESA-N 1 1 300.359 -2.238 20 0 DAADMO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001099631336 782457435 /nfs/dbraw/zinc/45/74/35/782457435.db2.gz VRQSINUQIHWEBU-TZMCWYRMSA-N 1 1 324.381 -1.041 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630645 782457533 /nfs/dbraw/zinc/45/75/33/782457533.db2.gz PQPCDYVEAQSTDI-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630645 782457538 /nfs/dbraw/zinc/45/75/38/782457538.db2.gz PQPCDYVEAQSTDI-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099631354 782457627 /nfs/dbraw/zinc/45/76/27/782457627.db2.gz VVHIDSPOYSBGHG-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099631354 782457633 /nfs/dbraw/zinc/45/76/33/782457633.db2.gz VVHIDSPOYSBGHG-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099630130 782457687 /nfs/dbraw/zinc/45/76/87/782457687.db2.gz MIVWYLPHNGWOCS-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099630130 782457692 /nfs/dbraw/zinc/45/76/92/782457692.db2.gz MIVWYLPHNGWOCS-STQMWFEESA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099631395 782457768 /nfs/dbraw/zinc/45/77/68/782457768.db2.gz WFHNHUWWHCOPSN-QWRGUYRKSA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099629688 782457901 /nfs/dbraw/zinc/45/79/01/782457901.db2.gz GHWBSRDRCOIMMM-WDEREUQCSA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099629688 782457904 /nfs/dbraw/zinc/45/79/04/782457904.db2.gz GHWBSRDRCOIMMM-WDEREUQCSA-N 1 1 300.359 -2.238 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650636 782461645 /nfs/dbraw/zinc/46/16/45/782461645.db2.gz ICMVCFGQLIQUFM-RYUDHWBXSA-N 1 1 324.385 -1.818 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099630128 782457962 /nfs/dbraw/zinc/45/79/62/782457962.db2.gz MIVWYLPHNGWOCS-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099630128 782457966 /nfs/dbraw/zinc/45/79/66/782457966.db2.gz MIVWYLPHNGWOCS-OLZOCXBDSA-N 1 1 309.370 -1.392 20 0 DAADMO CCCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099633866 782458604 /nfs/dbraw/zinc/45/86/04/782458604.db2.gz UPCRJOBVXPDYPY-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099635489 782458745 /nfs/dbraw/zinc/45/87/45/782458745.db2.gz DYOYAPPRUNIVBD-VXGBXAGGSA-N 1 1 310.358 -2.034 20 0 DAADMO CCCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099633869 782459181 /nfs/dbraw/zinc/45/91/81/782459181.db2.gz UPCRJOBVXPDYPY-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631762 782459499 /nfs/dbraw/zinc/45/94/99/782459499.db2.gz YXKSRMCKUJFKPX-OLZOCXBDSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099637690 782459551 /nfs/dbraw/zinc/45/95/51/782459551.db2.gz ZCCJWGJEDWEFKU-KBPBESRZSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001099637690 782459557 /nfs/dbraw/zinc/45/95/57/782459557.db2.gz ZCCJWGJEDWEFKU-KBPBESRZSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099644856 782461293 /nfs/dbraw/zinc/46/12/93/782461293.db2.gz KTUFXGRYCJCKQS-NWDGAFQWSA-N 1 1 312.374 -1.351 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099647869 782461402 /nfs/dbraw/zinc/46/14/02/782461402.db2.gz KSUBFDIDZPAFNK-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099629613 782455150 /nfs/dbraw/zinc/45/51/50/782455150.db2.gz FNEGCIKUOXFTHX-NEPJUHHUSA-N 1 1 303.359 -2.317 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666279 782465233 /nfs/dbraw/zinc/46/52/33/782465233.db2.gz STXNSVPSXGXJAJ-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666279 782465238 /nfs/dbraw/zinc/46/52/38/782465238.db2.gz STXNSVPSXGXJAJ-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666238 782465462 /nfs/dbraw/zinc/46/54/62/782465462.db2.gz RYSJCODGRAPLKK-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666238 782465467 /nfs/dbraw/zinc/46/54/67/782465467.db2.gz RYSJCODGRAPLKK-WDEREUQCSA-N 1 1 310.358 -1.860 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)o1 ZINC001099668304 782467774 /nfs/dbraw/zinc/46/77/74/782467774.db2.gz BVBRUDGZSPJXPX-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666281 782465857 /nfs/dbraw/zinc/46/58/57/782465857.db2.gz STXNSVPSXGXJAJ-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666281 782465864 /nfs/dbraw/zinc/46/58/64/782465864.db2.gz STXNSVPSXGXJAJ-VHSXEESVSA-N 1 1 315.374 -2.316 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)o1 ZINC001099668304 782467786 /nfs/dbraw/zinc/46/77/86/782467786.db2.gz BVBRUDGZSPJXPX-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099669110 782466589 /nfs/dbraw/zinc/46/65/89/782466589.db2.gz MSLVJNYDCOASCF-UWVGGRQHSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099669110 782466594 /nfs/dbraw/zinc/46/65/94/782466594.db2.gz MSLVJNYDCOASCF-UWVGGRQHSA-N 1 1 311.342 -1.297 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666460 782466834 /nfs/dbraw/zinc/46/68/34/782466834.db2.gz WLSGOHBTTANZDV-DTWKUNHWSA-N 1 1 301.347 -2.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666460 782466837 /nfs/dbraw/zinc/46/68/37/782466837.db2.gz WLSGOHBTTANZDV-DTWKUNHWSA-N 1 1 301.347 -2.706 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001099668300 782466850 /nfs/dbraw/zinc/46/68/50/782466850.db2.gz BVBRUDGZSPJXPX-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001099668300 782466854 /nfs/dbraw/zinc/46/68/54/782466854.db2.gz BVBRUDGZSPJXPX-MNOVXSKESA-N 1 1 311.342 -1.297 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001099666551 782467147 /nfs/dbraw/zinc/46/71/47/782467147.db2.gz YFQXAKQQCYRAOQ-NEPJUHHUSA-N 1 1 314.386 -1.225 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099669112 782467490 /nfs/dbraw/zinc/46/74/90/782467490.db2.gz MSLVJNYDCOASCF-ZJUUUORDSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099669112 782467503 /nfs/dbraw/zinc/46/75/03/782467503.db2.gz MSLVJNYDCOASCF-ZJUUUORDSA-N 1 1 311.342 -1.297 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099650142 782461844 /nfs/dbraw/zinc/46/18/44/782461844.db2.gz AHHRCXILFOUGFV-NEPJUHHUSA-N 1 1 324.385 -1.818 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651003 782461872 /nfs/dbraw/zinc/46/18/72/782461872.db2.gz OAAHGAPOYXLIOX-JQWIXIFHSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651003 782461876 /nfs/dbraw/zinc/46/18/76/782461876.db2.gz OAAHGAPOYXLIOX-JQWIXIFHSA-N 1 1 322.369 -1.495 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099651291 782462057 /nfs/dbraw/zinc/46/20/57/782462057.db2.gz RZJDQORUONNNAP-QWRGUYRKSA-N 1 1 310.358 -1.897 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099660922 782462683 /nfs/dbraw/zinc/46/26/83/782462683.db2.gz RRDYREXCGQSHHF-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099660922 782462686 /nfs/dbraw/zinc/46/26/86/782462686.db2.gz RRDYREXCGQSHHF-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CSCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099655239 782462749 /nfs/dbraw/zinc/46/27/49/782462749.db2.gz YHFOFYJOLHSTNY-MNOVXSKESA-N 1 1 316.427 -1.074 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001099652524 782462804 /nfs/dbraw/zinc/46/28/04/782462804.db2.gz ZXRWNFSNZVROAB-QWHCGFSZSA-N 1 1 312.370 -1.406 20 0 DAADMO CSCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099655238 782462896 /nfs/dbraw/zinc/46/28/96/782462896.db2.gz YHFOFYJOLHSTNY-GHMZBOCLSA-N 1 1 316.427 -1.074 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099730439 782473633 /nfs/dbraw/zinc/47/36/33/782473633.db2.gz VBKQJWGOSQICNY-OLZOCXBDSA-N 1 1 304.387 -1.028 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099738883 782474704 /nfs/dbraw/zinc/47/47/04/782474704.db2.gz UALMERVBCBATOX-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099738883 782474712 /nfs/dbraw/zinc/47/47/12/782474712.db2.gz UALMERVBCBATOX-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678546 782468147 /nfs/dbraw/zinc/46/81/47/782468147.db2.gz MFELNJWCIKRWGG-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678546 782468149 /nfs/dbraw/zinc/46/81/49/782468149.db2.gz MFELNJWCIKRWGG-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704368 782468463 /nfs/dbraw/zinc/46/84/63/782468463.db2.gz KSDXYKBPAREBKW-QWRGUYRKSA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099690898 782469529 /nfs/dbraw/zinc/46/95/29/782469529.db2.gz WOYABHVPTBKKRB-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099690898 782469536 /nfs/dbraw/zinc/46/95/36/782469536.db2.gz WOYABHVPTBKKRB-ZIAGYGMSSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099689577 782469748 /nfs/dbraw/zinc/46/97/48/782469748.db2.gz GZUINRRINDTRHZ-NEPJUHHUSA-N 1 1 314.386 -1.896 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099689577 782469755 /nfs/dbraw/zinc/46/97/55/782469755.db2.gz GZUINRRINDTRHZ-NEPJUHHUSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684437 782469894 /nfs/dbraw/zinc/46/98/94/782469894.db2.gz RPRNIIGNEAVQNO-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684437 782469902 /nfs/dbraw/zinc/46/99/02/782469902.db2.gz RPRNIIGNEAVQNO-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099743681 782475678 /nfs/dbraw/zinc/47/56/78/782475678.db2.gz NMTCDZYGTKTJDD-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099743681 782475681 /nfs/dbraw/zinc/47/56/81/782475681.db2.gz NMTCDZYGTKTJDD-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099740735 782475733 /nfs/dbraw/zinc/47/57/33/782475733.db2.gz IUKZPEMLWRUOBL-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099708171 782470987 /nfs/dbraw/zinc/47/09/87/782470987.db2.gz YUYHSRBRJPMGNJ-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099713285 782471003 /nfs/dbraw/zinc/47/10/03/782471003.db2.gz VQJPJSNHBXTOAC-DGCLKSJQSA-N 1 1 312.370 -1.406 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099738353 782472472 /nfs/dbraw/zinc/47/24/72/782472472.db2.gz MKJJMQACJCTVLL-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760811 782481657 /nfs/dbraw/zinc/48/16/57/782481657.db2.gz OGGDMJDUPLVJKD-IUCAKERBSA-N 1 1 322.387 -3.038 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760811 782481662 /nfs/dbraw/zinc/48/16/62/782481662.db2.gz OGGDMJDUPLVJKD-IUCAKERBSA-N 1 1 322.387 -3.038 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001099777954 782480195 /nfs/dbraw/zinc/48/01/95/782480195.db2.gz DGVXEMYKLHEZHK-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)ncn1 ZINC001099776162 782481196 /nfs/dbraw/zinc/48/11/96/782481196.db2.gz NLNMUZMTASQANU-OCCSQVGLSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)c1 ZINC001099768335 782481250 /nfs/dbraw/zinc/48/12/50/782481250.db2.gz BMWAXJBWUOKQKJ-DGCLKSJQSA-N 1 1 312.370 -1.406 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760821 782481761 /nfs/dbraw/zinc/48/17/61/782481761.db2.gz ONRDAUSQBJSYSI-CMPLNLGQSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760821 782481767 /nfs/dbraw/zinc/48/17/67/782481767.db2.gz ONRDAUSQBJSYSI-CMPLNLGQSA-N 1 1 307.354 -1.288 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099748658 782476389 /nfs/dbraw/zinc/47/63/89/782476389.db2.gz AMEFADPMVWPMOS-QWHCGFSZSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099748659 782476805 /nfs/dbraw/zinc/47/68/05/782476805.db2.gz AMEFADPMVWPMOS-STQMWFEESA-N 1 1 312.370 -1.488 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001099744502 782477103 /nfs/dbraw/zinc/47/71/03/782477103.db2.gz VAEFIEZRQUJZGG-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC001099744502 782477111 /nfs/dbraw/zinc/47/71/11/782477111.db2.gz VAEFIEZRQUJZGG-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)ncn1 ZINC001099776161 782481608 /nfs/dbraw/zinc/48/16/08/782481608.db2.gz NLNMUZMTASQANU-JSGCOSHPSA-N 1 1 324.381 -1.041 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099758143 782478636 /nfs/dbraw/zinc/47/86/36/782478636.db2.gz OVOCSPXWULVKDO-NWDGAFQWSA-N 1 1 324.385 -1.678 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099758032 782479154 /nfs/dbraw/zinc/47/91/54/782479154.db2.gz NJVZWMWPYVADIO-VHSXEESVSA-N 1 1 313.358 -2.562 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099788553 782483397 /nfs/dbraw/zinc/48/33/97/782483397.db2.gz GQXIJOUKAMXPOB-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099788553 782483404 /nfs/dbraw/zinc/48/34/04/782483404.db2.gz GQXIJOUKAMXPOB-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099788552 782483928 /nfs/dbraw/zinc/48/39/28/782483928.db2.gz GQXIJOUKAMXPOB-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099788552 782483931 /nfs/dbraw/zinc/48/39/31/782483931.db2.gz GQXIJOUKAMXPOB-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099791985 782484298 /nfs/dbraw/zinc/48/42/98/782484298.db2.gz NJURCITWZIFYLD-WDEREUQCSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099791985 782484301 /nfs/dbraw/zinc/48/43/01/782484301.db2.gz NJURCITWZIFYLD-WDEREUQCSA-N 1 1 312.370 -2.094 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cnn1 ZINC001099791865 782485042 /nfs/dbraw/zinc/48/50/42/782485042.db2.gz LQEXYRMEZCMJBJ-ZIAGYGMSSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099791334 782485337 /nfs/dbraw/zinc/48/53/37/782485337.db2.gz DASQAJILAIEYOR-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099796483 782486926 /nfs/dbraw/zinc/48/69/26/782486926.db2.gz DHOZAYFOFDVUKS-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801959 782488725 /nfs/dbraw/zinc/48/87/25/782488725.db2.gz MYWCKTZAXRVFAN-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC001099801959 782488731 /nfs/dbraw/zinc/48/87/31/782488731.db2.gz MYWCKTZAXRVFAN-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099800151 782489154 /nfs/dbraw/zinc/48/91/54/782489154.db2.gz YKFYCCKVHGSBQK-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099800151 782489163 /nfs/dbraw/zinc/48/91/63/782489163.db2.gz YKFYCCKVHGSBQK-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099801827 782488128 /nfs/dbraw/zinc/48/81/28/782488128.db2.gz KTFSPBRAVUQMJJ-WDEREUQCSA-N 1 1 313.358 -2.011 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099796789 782488446 /nfs/dbraw/zinc/48/84/46/782488446.db2.gz JBCAJQSHHSWLSD-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809277 782490593 /nfs/dbraw/zinc/49/05/93/782490593.db2.gz FIXPHTXQOQVQGW-WDEREUQCSA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809277 782490596 /nfs/dbraw/zinc/49/05/96/782490596.db2.gz FIXPHTXQOQVQGW-WDEREUQCSA-N 1 1 301.387 -1.213 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001099802230 782490607 /nfs/dbraw/zinc/49/06/07/782490607.db2.gz RFSRJADSTLWOSU-PWSUYJOCSA-N 1 1 313.358 -2.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809274 782490863 /nfs/dbraw/zinc/49/08/63/782490863.db2.gz FIXPHTXQOQVQGW-GHMZBOCLSA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@H](O)C1 ZINC001099809274 782490868 /nfs/dbraw/zinc/49/08/68/782490868.db2.gz FIXPHTXQOQVQGW-GHMZBOCLSA-N 1 1 301.387 -1.213 20 0 DAADMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001099813155 782492274 /nfs/dbraw/zinc/49/22/74/782492274.db2.gz KTUVVVOAKNMTMN-JSGCOSHPSA-N 1 1 324.381 -1.041 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001099815880 782492333 /nfs/dbraw/zinc/49/23/33/782492333.db2.gz NPOFJEIYYCXQFW-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001099815880 782492338 /nfs/dbraw/zinc/49/23/38/782492338.db2.gz NPOFJEIYYCXQFW-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099841287 782496060 /nfs/dbraw/zinc/49/60/60/782496060.db2.gz JNVJDAVGYWMZGP-WDEREUQCSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C[C@H]2O)CC1 ZINC001099841287 782496061 /nfs/dbraw/zinc/49/60/61/782496061.db2.gz JNVJDAVGYWMZGP-WDEREUQCSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099845463 782496445 /nfs/dbraw/zinc/49/64/45/782496445.db2.gz XRCNKVPSJXVNON-NWDGAFQWSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099845463 782496451 /nfs/dbraw/zinc/49/64/51/782496451.db2.gz XRCNKVPSJXVNON-NWDGAFQWSA-N 1 1 324.385 -1.646 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838690 782496673 /nfs/dbraw/zinc/49/66/73/782496673.db2.gz QTHFYEHQPRSLBH-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099845333 782497114 /nfs/dbraw/zinc/49/71/14/782497114.db2.gz VSLNXVVORSYUMX-VXGBXAGGSA-N 1 1 313.358 -2.162 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001099813156 782492928 /nfs/dbraw/zinc/49/29/28/782492928.db2.gz KTUVVVOAKNMTMN-OCCSQVGLSA-N 1 1 324.381 -1.041 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813466 782493138 /nfs/dbraw/zinc/49/31/38/782493138.db2.gz PJPHOVGLKUIOLD-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO O=C(CNC(=O)N1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099832136 782494772 /nfs/dbraw/zinc/49/47/72/782494772.db2.gz BWVHHCKTLVISCI-NEPJUHHUSA-N 1 1 314.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099857957 782498112 /nfs/dbraw/zinc/49/81/12/782498112.db2.gz FKWJDBFBWOVEGV-ZJUUUORDSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099857957 782498116 /nfs/dbraw/zinc/49/81/16/782498116.db2.gz FKWJDBFBWOVEGV-ZJUUUORDSA-N 1 1 315.374 -2.445 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099858651 782498208 /nfs/dbraw/zinc/49/82/08/782498208.db2.gz OYSUNRHSHFXRMY-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099858651 782498214 /nfs/dbraw/zinc/49/82/14/782498214.db2.gz OYSUNRHSHFXRMY-NWDGAFQWSA-N 1 1 324.385 -1.600 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099860653 782499040 /nfs/dbraw/zinc/49/90/40/782499040.db2.gz FWJIHKGFKJHABO-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 ZINC001099861087 782500948 /nfs/dbraw/zinc/50/09/48/782500948.db2.gz MXLAXLPYDNEUIA-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099860808 782501256 /nfs/dbraw/zinc/50/12/56/782501256.db2.gz IJDIHFDGTIPTCM-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863559 782501336 /nfs/dbraw/zinc/50/13/36/782501336.db2.gz NDANCTAIYWYFJL-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099848973 782499666 /nfs/dbraw/zinc/49/96/66/782499666.db2.gz ZWAYJAIMEXEPAC-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099863462 782500363 /nfs/dbraw/zinc/50/03/63/782500363.db2.gz MQTIXVLIMQTUPB-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cn1 ZINC001099881586 782504882 /nfs/dbraw/zinc/50/48/82/782504882.db2.gz DXMZIICUXLMGOP-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cn1 ZINC001099881586 782504888 /nfs/dbraw/zinc/50/48/88/782504888.db2.gz DXMZIICUXLMGOP-NEPJUHHUSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cn1 ZINC001099881588 782503412 /nfs/dbraw/zinc/50/34/12/782503412.db2.gz DXMZIICUXLMGOP-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cn1 ZINC001099881588 782503420 /nfs/dbraw/zinc/50/34/20/782503420.db2.gz DXMZIICUXLMGOP-RYUDHWBXSA-N 1 1 323.397 -1.017 20 0 DAADMO COCC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CCOCC1 ZINC001099867492 782503476 /nfs/dbraw/zinc/50/34/76/782503476.db2.gz XMGGRNYGXZPNOI-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099865061 782503722 /nfs/dbraw/zinc/50/37/22/782503722.db2.gz YIMAHSKPVDWLAW-VXGBXAGGSA-N 1 1 324.385 -1.637 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099865632 782503849 /nfs/dbraw/zinc/50/38/49/782503849.db2.gz AYQHRUCUHMXBIG-QWHCGFSZSA-N 1 1 309.366 -1.218 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099863969 782503928 /nfs/dbraw/zinc/50/39/28/782503928.db2.gz PASQOQVXJUCQHQ-GHMZBOCLSA-N 1 1 318.374 -2.524 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863554 782504188 /nfs/dbraw/zinc/50/41/88/782504188.db2.gz NDANCTAIYWYFJL-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099865067 782504331 /nfs/dbraw/zinc/50/43/31/782504331.db2.gz YKHGLGBMIFYWPT-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099865630 782504583 /nfs/dbraw/zinc/50/45/83/782504583.db2.gz AYQHRUCUHMXBIG-CHWSQXEVSA-N 1 1 309.366 -1.218 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099863754 782504610 /nfs/dbraw/zinc/50/46/10/782504610.db2.gz NTOCADXNGJWMNV-QWRGUYRKSA-N 1 1 303.359 -2.365 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099863287 782501972 /nfs/dbraw/zinc/50/19/72/782501972.db2.gz LFKGJEBVNYSRKF-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099888651 782505385 /nfs/dbraw/zinc/50/53/85/782505385.db2.gz YAFMIIVULPMHBV-MNOVXSKESA-N 1 1 324.385 -1.659 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099894403 782505553 /nfs/dbraw/zinc/50/55/53/782505553.db2.gz KKLWJDXCWBYASL-VXGBXAGGSA-N 1 1 314.386 -1.802 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001099901373 782507920 /nfs/dbraw/zinc/50/79/20/782507920.db2.gz IIOUYOZGCYJOBF-ZYHUDNBSSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001099901373 782507927 /nfs/dbraw/zinc/50/79/27/782507927.db2.gz IIOUYOZGCYJOBF-ZYHUDNBSSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001099901373 782507933 /nfs/dbraw/zinc/50/79/33/782507933.db2.gz IIOUYOZGCYJOBF-ZYHUDNBSSA-N 1 1 313.358 -1.367 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099895729 782508377 /nfs/dbraw/zinc/50/83/77/782508377.db2.gz YZQSLCDSSDSSAO-MNOVXSKESA-N 1 1 316.358 -3.218 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099895731 782508434 /nfs/dbraw/zinc/50/84/34/782508434.db2.gz YZQSLCDSSDSSAO-WDEREUQCSA-N 1 1 316.358 -3.218 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901482 782508618 /nfs/dbraw/zinc/50/86/18/782508618.db2.gz JWRQNPVAZHLVRL-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099902242 782509262 /nfs/dbraw/zinc/50/92/62/782509262.db2.gz WCTWNPAPOOIGEN-BDAKNGLRSA-N 1 1 309.313 -1.699 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001099901371 782509319 /nfs/dbraw/zinc/50/93/19/782509319.db2.gz IIOUYOZGCYJOBF-JQWIXIFHSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001099901371 782509325 /nfs/dbraw/zinc/50/93/25/782509325.db2.gz IIOUYOZGCYJOBF-JQWIXIFHSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001099901371 782509329 /nfs/dbraw/zinc/50/93/29/782509329.db2.gz IIOUYOZGCYJOBF-JQWIXIFHSA-N 1 1 313.358 -1.367 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099903596 782509697 /nfs/dbraw/zinc/50/96/97/782509697.db2.gz IPDCGKJOHVERFG-STQMWFEESA-N 1 1 324.381 -1.033 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099909209 782511469 /nfs/dbraw/zinc/51/14/69/782511469.db2.gz PBHVFOFRXCBWMD-NWDGAFQWSA-N 1 1 316.402 -1.241 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099906110 782510784 /nfs/dbraw/zinc/51/07/84/782510784.db2.gz JYOHWLGZIXLTAZ-ZIAGYGMSSA-N 1 1 324.381 -1.041 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001099935318 782512707 /nfs/dbraw/zinc/51/27/07/782512707.db2.gz LZCUKKNJLGHUEL-STQMWFEESA-N 1 1 323.397 -1.067 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099935956 782513500 /nfs/dbraw/zinc/51/35/00/782513500.db2.gz XMNNENRYRZZVQL-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936959 782514786 /nfs/dbraw/zinc/51/47/86/782514786.db2.gz HDTATDRHGJAHMT-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936958 782515210 /nfs/dbraw/zinc/51/52/10/782515210.db2.gz HDTATDRHGJAHMT-GHMZBOCLSA-N 1 1 322.431 -1.608 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099938425 782515249 /nfs/dbraw/zinc/51/52/49/782515249.db2.gz VVUUQSHAHBMZAL-IUCAKERBSA-N 1 1 310.376 -3.416 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001099941852 782515295 /nfs/dbraw/zinc/51/52/95/782515295.db2.gz IGFKHUCQJWVCMB-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001099941852 782515303 /nfs/dbraw/zinc/51/53/03/782515303.db2.gz IGFKHUCQJWVCMB-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001099935317 782512171 /nfs/dbraw/zinc/51/21/71/782512171.db2.gz LZCUKKNJLGHUEL-QWHCGFSZSA-N 1 1 323.397 -1.067 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099947683 782517184 /nfs/dbraw/zinc/51/71/84/782517184.db2.gz ZBBXQTFUKQUSDY-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOCC3CC3)C[C@@H]2O)n1 ZINC001099946409 782517698 /nfs/dbraw/zinc/51/76/98/782517698.db2.gz FYUXCRWWUVORTP-RYUDHWBXSA-N 1 1 324.385 -1.198 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001099975262 782518738 /nfs/dbraw/zinc/51/87/38/782518738.db2.gz ZVBFNTOBCSDELD-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973378 782519200 /nfs/dbraw/zinc/51/92/00/782519200.db2.gz BXMILELLDGKDDC-UWVGGRQHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973378 782519208 /nfs/dbraw/zinc/51/92/08/782519208.db2.gz BXMILELLDGKDDC-UWVGGRQHSA-N 1 1 315.374 -2.269 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972510 782519901 /nfs/dbraw/zinc/51/99/01/782519901.db2.gz XZRUZHGXLAZGBD-WDEREUQCSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972510 782519908 /nfs/dbraw/zinc/51/99/08/782519908.db2.gz XZRUZHGXLAZGBD-WDEREUQCSA-N 1 1 312.370 -2.109 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001099971700 782520098 /nfs/dbraw/zinc/52/00/98/782520098.db2.gz LJCSAGOUSODRGE-OLZOCXBDSA-N 1 1 312.370 -1.003 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973337 782520575 /nfs/dbraw/zinc/52/05/75/782520575.db2.gz BINDNNGSQSZDSJ-GHMZBOCLSA-N 1 1 316.358 -2.824 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001099978382 782521225 /nfs/dbraw/zinc/52/12/25/782521225.db2.gz FNGBZEVRVPSNLW-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC001099978382 782521235 /nfs/dbraw/zinc/52/12/35/782521235.db2.gz FNGBZEVRVPSNLW-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099979187 782521661 /nfs/dbraw/zinc/52/16/61/782521661.db2.gz QRKAFJGHXBMWNW-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099979187 782521666 /nfs/dbraw/zinc/52/16/66/782521666.db2.gz QRKAFJGHXBMWNW-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099978686 782521739 /nfs/dbraw/zinc/52/17/39/782521739.db2.gz JZJUAFYJEWAROG-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099978686 782521748 /nfs/dbraw/zinc/52/17/48/782521748.db2.gz JZJUAFYJEWAROG-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980169 782521763 /nfs/dbraw/zinc/52/17/63/782521763.db2.gz CTQREVCOYDYHDG-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979581 782521813 /nfs/dbraw/zinc/52/18/13/782521813.db2.gz XDYHMXDVMQZCGX-RKDXNWHRSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979581 782521821 /nfs/dbraw/zinc/52/18/21/782521821.db2.gz XDYHMXDVMQZCGX-RKDXNWHRSA-N 1 1 300.359 -2.062 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978670 782522236 /nfs/dbraw/zinc/52/22/36/782522236.db2.gz JRBHLLTZEDNAAQ-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099978670 782522247 /nfs/dbraw/zinc/52/22/47/782522247.db2.gz JRBHLLTZEDNAAQ-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099978687 782522388 /nfs/dbraw/zinc/52/23/88/782522388.db2.gz JZJUAFYJEWAROG-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@H](O)C2)cn1 ZINC001099978687 782522397 /nfs/dbraw/zinc/52/23/97/782522397.db2.gz JZJUAFYJEWAROG-NWDGAFQWSA-N 1 1 321.381 -1.263 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980641 782522410 /nfs/dbraw/zinc/52/24/10/782522410.db2.gz JCZYGSJKDNZPHD-VHSXEESVSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980641 782522423 /nfs/dbraw/zinc/52/24/23/782522423.db2.gz JCZYGSJKDNZPHD-VHSXEESVSA-N 1 1 312.370 -2.109 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001099980367 782522486 /nfs/dbraw/zinc/52/24/86/782522486.db2.gz GWYJVMFVNXLSPR-RYUDHWBXSA-N 1 1 321.381 -1.300 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099979188 782522527 /nfs/dbraw/zinc/52/25/27/782522527.db2.gz QRKAFJGHXBMWNW-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099979188 782522536 /nfs/dbraw/zinc/52/25/36/782522536.db2.gz QRKAFJGHXBMWNW-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099981455 782523810 /nfs/dbraw/zinc/52/38/10/782523810.db2.gz OMBONYJOWFVKBM-GHMZBOCLSA-N 1 1 323.415 -2.011 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099981457 782523880 /nfs/dbraw/zinc/52/38/80/782523880.db2.gz OMBONYJOWFVKBM-MNOVXSKESA-N 1 1 323.415 -2.011 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001099986853 782525007 /nfs/dbraw/zinc/52/50/07/782525007.db2.gz QFJPHMHGGFGROT-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100010762 782525765 /nfs/dbraw/zinc/52/57/65/782525765.db2.gz KAOAACQBYUDCQU-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nccn2nnnc12 ZINC001099996462 782527796 /nfs/dbraw/zinc/52/77/96/782527796.db2.gz ISFIPYMSOURQTE-SNVBAGLBSA-N 1 1 320.357 -1.598 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nccn2nnnc12 ZINC001099996462 782527802 /nfs/dbraw/zinc/52/78/02/782527802.db2.gz ISFIPYMSOURQTE-SNVBAGLBSA-N 1 1 320.357 -1.598 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100023850 782528923 /nfs/dbraw/zinc/52/89/23/782528923.db2.gz ACQZTKBPADHMDH-MNOVXSKESA-N 1 1 316.402 -1.372 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100020027 782529592 /nfs/dbraw/zinc/52/95/92/782529592.db2.gz KIJLNOCCTMNVBG-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100019917 782529650 /nfs/dbraw/zinc/52/96/50/782529650.db2.gz JJJPDCGOLBJPLU-MNOVXSKESA-N 1 1 322.431 -1.656 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100023849 782529394 /nfs/dbraw/zinc/52/93/94/782529394.db2.gz ACQZTKBPADHMDH-GHMZBOCLSA-N 1 1 316.402 -1.372 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](O)C1 ZINC001100028896 782531366 /nfs/dbraw/zinc/53/13/66/782531366.db2.gz FFUVTQNZCVIXSA-VHSXEESVSA-N 1 1 307.416 -1.115 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100029011 782531249 /nfs/dbraw/zinc/53/12/49/782531249.db2.gz GUPNFPFVKQFGQB-NWDGAFQWSA-N 1 1 317.386 -1.975 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001100027281 782532652 /nfs/dbraw/zinc/53/26/52/782532652.db2.gz OBGHYAWWEHUXIN-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001100027281 782532656 /nfs/dbraw/zinc/53/26/56/782532656.db2.gz OBGHYAWWEHUXIN-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001100028897 782532776 /nfs/dbraw/zinc/53/27/76/782532776.db2.gz FFUVTQNZCVIXSA-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001100036392 782533108 /nfs/dbraw/zinc/53/31/08/782533108.db2.gz FXLMNVNHLISSHL-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100036238 782533329 /nfs/dbraw/zinc/53/33/29/782533329.db2.gz CNXOBBLJULHFEC-RYUDHWBXSA-N 1 1 301.387 -1.165 20 0 DAADMO O=C(CCNC(=O)C1CCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100032563 782533831 /nfs/dbraw/zinc/53/38/31/782533831.db2.gz XPAORXCEAZDZPQ-STQMWFEESA-N 1 1 313.398 -1.164 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100036236 782533853 /nfs/dbraw/zinc/53/38/53/782533853.db2.gz CNXOBBLJULHFEC-NEPJUHHUSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CCCC1 ZINC001100031712 782533883 /nfs/dbraw/zinc/53/38/83/782533883.db2.gz JFEWJTJRMOLFCH-CHWSQXEVSA-N 1 1 313.398 -1.021 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100037118 782534380 /nfs/dbraw/zinc/53/43/80/782534380.db2.gz UIVPKBGWVYASPM-RYUDHWBXSA-N 1 1 324.381 -1.112 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100032403 782534615 /nfs/dbraw/zinc/53/46/15/782534615.db2.gz UWIIFFQBLKEFFT-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100032403 782534620 /nfs/dbraw/zinc/53/46/20/782534620.db2.gz UWIIFFQBLKEFFT-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100030585 782534646 /nfs/dbraw/zinc/53/46/46/782534646.db2.gz YUQKXAVQWOKAQW-ZJUUUORDSA-N 1 1 323.415 -2.142 20 0 DAADMO NC(=O)CN1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036210 782534757 /nfs/dbraw/zinc/53/47/57/782534757.db2.gz BPWJHVNFYCSUBC-RYUDHWBXSA-N 1 1 314.386 -2.255 20 0 DAADMO O=C(CCN1CCOCC1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100036364 782534773 /nfs/dbraw/zinc/53/47/73/782534773.db2.gz FLKVKTYXTLUFPC-KBPBESRZSA-N 1 1 315.414 -1.358 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100036237 782535158 /nfs/dbraw/zinc/53/51/58/782535158.db2.gz CNXOBBLJULHFEC-NWDGAFQWSA-N 1 1 301.387 -1.165 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100032400 782535368 /nfs/dbraw/zinc/53/53/68/782535368.db2.gz UWIIFFQBLKEFFT-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100032400 782535373 /nfs/dbraw/zinc/53/53/73/782535373.db2.gz UWIIFFQBLKEFFT-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ccncn1 ZINC001100039361 782536367 /nfs/dbraw/zinc/53/63/67/782536367.db2.gz QVSUZKCPPYOIMI-WCQYABFASA-N 1 1 310.354 -1.350 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046820 782538709 /nfs/dbraw/zinc/53/87/09/782538709.db2.gz SOMOXPIKZGNRFN-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100048421 782540238 /nfs/dbraw/zinc/54/02/38/782540238.db2.gz LIKNTICPXCOVLP-NWDGAFQWSA-N 1 1 312.370 -1.488 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100058533 782541176 /nfs/dbraw/zinc/54/11/76/782541176.db2.gz VEXFKKLUMXNPOQ-WDEREUQCSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100058533 782541164 /nfs/dbraw/zinc/54/11/64/782541164.db2.gz VEXFKKLUMXNPOQ-WDEREUQCSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058040 782541883 /nfs/dbraw/zinc/54/18/83/782541883.db2.gz MGFNINMOSAGSME-QWRGUYRKSA-N 1 1 313.358 -2.125 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100058530 782542644 /nfs/dbraw/zinc/54/26/44/782542644.db2.gz VEXFKKLUMXNPOQ-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100058530 782542653 /nfs/dbraw/zinc/54/26/53/782542653.db2.gz VEXFKKLUMXNPOQ-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001100072522 782543748 /nfs/dbraw/zinc/54/37/48/782543748.db2.gz WXRBZDQLEVRMKL-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001100072522 782543752 /nfs/dbraw/zinc/54/37/52/782543752.db2.gz WXRBZDQLEVRMKL-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100064265 782543995 /nfs/dbraw/zinc/54/39/95/782543995.db2.gz KPIQWPSNWVXQCS-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100064265 782544013 /nfs/dbraw/zinc/54/40/13/782544013.db2.gz KPIQWPSNWVXQCS-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO COCCCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100069087 782544307 /nfs/dbraw/zinc/54/43/07/782544307.db2.gz HJSKDSFNXHJQOZ-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100069433 782545159 /nfs/dbraw/zinc/54/51/59/782545159.db2.gz LGSLMEYUZUZVJS-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100069433 782545167 /nfs/dbraw/zinc/54/51/67/782545167.db2.gz LGSLMEYUZUZVJS-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100069433 782545171 /nfs/dbraw/zinc/54/51/71/782545171.db2.gz LGSLMEYUZUZVJS-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO COCCCOCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100069089 782545187 /nfs/dbraw/zinc/54/51/87/782545187.db2.gz HJSKDSFNXHJQOZ-QWHCGFSZSA-N 1 1 304.387 -1.027 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CCC1 ZINC001100085053 782546626 /nfs/dbraw/zinc/54/66/26/782546626.db2.gz FPQIRUFKTXNWBZ-NEPJUHHUSA-N 1 1 313.398 -1.164 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100091601 782547964 /nfs/dbraw/zinc/54/79/64/782547964.db2.gz FFOFNMRCXDKCJN-OLZOCXBDSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)CCC1 ZINC001100085054 782548014 /nfs/dbraw/zinc/54/80/14/782548014.db2.gz FPQIRUFKTXNWBZ-NWDGAFQWSA-N 1 1 313.398 -1.164 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100091599 782548427 /nfs/dbraw/zinc/54/84/27/782548427.db2.gz FFOFNMRCXDKCJN-CHWSQXEVSA-N 1 1 301.387 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100092900 782549702 /nfs/dbraw/zinc/54/97/02/782549702.db2.gz UKFNWWKKDIZBAK-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096835 782550523 /nfs/dbraw/zinc/55/05/23/782550523.db2.gz NQINSWHLQVRBOP-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100092902 782550559 /nfs/dbraw/zinc/55/05/59/782550559.db2.gz UKFNWWKKDIZBAK-QWRGUYRKSA-N 1 1 323.415 -2.188 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106470 782551897 /nfs/dbraw/zinc/55/18/97/782551897.db2.gz VFYYCAJMVZYEFK-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100101935 782551944 /nfs/dbraw/zinc/55/19/44/782551944.db2.gz VJFPZZYUWVSZGI-NEPJUHHUSA-N 1 1 313.358 -2.162 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106771 782553045 /nfs/dbraw/zinc/55/30/45/782553045.db2.gz ZWWUQCCSQHVWEV-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100101938 782553077 /nfs/dbraw/zinc/55/30/77/782553077.db2.gz VJFPZZYUWVSZGI-VXGBXAGGSA-N 1 1 313.358 -2.162 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100102907 782553161 /nfs/dbraw/zinc/55/31/61/782553161.db2.gz CPAYDJFQNWFNFK-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100102907 782553167 /nfs/dbraw/zinc/55/31/67/782553167.db2.gz CPAYDJFQNWFNFK-NWDGAFQWSA-N 1 1 324.385 -1.470 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001100117177 782554578 /nfs/dbraw/zinc/55/45/78/782554578.db2.gz DBXBFHUTCYYXJX-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO CCNC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110582 782555360 /nfs/dbraw/zinc/55/53/60/782555360.db2.gz YCBPQHXKGNAPOV-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100114691 782555771 /nfs/dbraw/zinc/55/57/71/782555771.db2.gz RZNIGAVLHPKUMI-RYUDHWBXSA-N 1 1 322.427 -1.255 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100114691 782555783 /nfs/dbraw/zinc/55/57/83/782555783.db2.gz RZNIGAVLHPKUMI-RYUDHWBXSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100125492 782556526 /nfs/dbraw/zinc/55/65/26/782556526.db2.gz ZHCYPRKZPUIRDT-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100118085 782556781 /nfs/dbraw/zinc/55/67/81/782556781.db2.gz UUGXMIKJLHACTM-VHSXEESVSA-N 1 1 309.388 -2.531 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100118084 782557094 /nfs/dbraw/zinc/55/70/94/782557094.db2.gz UUGXMIKJLHACTM-UWVGGRQHSA-N 1 1 309.388 -2.531 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126702 782557029 /nfs/dbraw/zinc/55/70/29/782557029.db2.gz LJYZZHWZEAUSLA-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126895 782557184 /nfs/dbraw/zinc/55/71/84/782557184.db2.gz OQLGCFVSHMHZML-NWDGAFQWSA-N 1 1 324.385 -1.646 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001100117286 782557780 /nfs/dbraw/zinc/55/77/80/782557780.db2.gz GGECMDNYOPTMRY-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CCCn1nnnc1C[NH2+]C1CC(CNC(=O)CC(N)=O)C1 ZINC001100209436 782564506 /nfs/dbraw/zinc/56/45/06/782564506.db2.gz AUADRAPETNEUFZ-UHFFFAOYSA-N 1 1 309.374 -1.057 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100417413 782575042 /nfs/dbraw/zinc/57/50/42/782575042.db2.gz OPAMGTPKNVPXRA-KTOWXAHTSA-N 1 1 322.325 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001100528515 782576957 /nfs/dbraw/zinc/57/69/57/782576957.db2.gz FWFMHAFYIUZXPO-FDZGAKKTSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100564488 782577991 /nfs/dbraw/zinc/57/79/91/782577991.db2.gz GTLLRNORUMFOJV-XNWIYYODSA-N 1 1 309.374 -1.294 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100768117 782583232 /nfs/dbraw/zinc/58/32/32/782583232.db2.gz SPFXPYOLEKOPDQ-AFPNSQJFSA-N 1 1 323.357 -1.253 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100768117 782583236 /nfs/dbraw/zinc/58/32/36/782583236.db2.gz SPFXPYOLEKOPDQ-AFPNSQJFSA-N 1 1 323.357 -1.253 20 0 DAADMO CNC(=O)C1(C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)CC1 ZINC001100754740 782583794 /nfs/dbraw/zinc/58/37/94/782583794.db2.gz ITGWBKKPRGNMSN-UHFFFAOYSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001100956181 782586983 /nfs/dbraw/zinc/58/69/83/782586983.db2.gz SPPIHCDHUMTBMJ-UHFFFAOYSA-N 1 1 322.325 -1.394 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)Cn2cncn2)C1 ZINC001100960841 782588875 /nfs/dbraw/zinc/58/88/75/782588875.db2.gz WDBYNUPPYNFCMK-UHFFFAOYSA-N 1 1 305.346 -1.514 20 0 DAADMO COCC(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101099119 782589928 /nfs/dbraw/zinc/58/99/28/782589928.db2.gz ZOZMDUTXGMCJGL-YPMHNXCESA-N 1 1 319.427 -1.038 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101110902 782590214 /nfs/dbraw/zinc/59/02/14/782590214.db2.gz LMLSAAHLLMWYIV-HIFRSBDPSA-N 1 1 313.398 -1.088 20 0 DAADMO COCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101098737 782590918 /nfs/dbraw/zinc/59/09/18/782590918.db2.gz KTURZDABYVKANX-RULNRJAQSA-N 1 1 312.370 -1.004 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[nH]2)C1 ZINC001100850207 782585380 /nfs/dbraw/zinc/58/53/80/782585380.db2.gz UKLZZDYKNKQGSY-UHFFFAOYSA-N 1 1 323.357 -1.713 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101313583 782594575 /nfs/dbraw/zinc/59/45/75/782594575.db2.gz DSPUZPYFRNBTFR-PWSUYJOCSA-N 1 1 320.415 -2.187 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001101346742 782594624 /nfs/dbraw/zinc/59/46/24/782594624.db2.gz FEGDGMXNWAHRHI-ABAIWWIYSA-N 1 1 308.382 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001101327165 782595209 /nfs/dbraw/zinc/59/52/09/782595209.db2.gz RDTUCGPQGQMSAR-YGRLFVJLSA-N 1 1 321.385 -1.260 20 0 DAADMO COCC[NH+]1CC2(C1)C[C@H](NC(=O)CC(N)=O)c1nccn12 ZINC001101618886 782598055 /nfs/dbraw/zinc/59/80/55/782598055.db2.gz JMPXMFNCDGLXGT-JTQLQIEISA-N 1 1 307.354 -1.023 20 0 DAADMO CCOCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101116440 782591726 /nfs/dbraw/zinc/59/17/26/782591726.db2.gz RJEPGWKNWWSYQY-YGRLFVJLSA-N 1 1 312.370 -1.002 20 0 DAADMO C[C@]12CN(C(=O)C(=O)NCC(F)F)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001101288370 782591810 /nfs/dbraw/zinc/59/18/10/782591810.db2.gz NJYDJCQAYYWHAU-OQPBUACISA-N 1 1 318.324 -1.367 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101247710 782591977 /nfs/dbraw/zinc/59/19/77/782591977.db2.gz PYFYHGPAMAXCGJ-JMSVASOKSA-N 1 1 313.398 -1.090 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@]2(C)C1 ZINC001101144735 782592728 /nfs/dbraw/zinc/59/27/28/782592728.db2.gz VLXZHBXGFURSMG-RULNRJAQSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122632 782592928 /nfs/dbraw/zinc/59/29/28/782592928.db2.gz QGQHYFRMJIUVGJ-GYSYKLTISA-N 1 1 314.386 -1.558 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101623818 782598323 /nfs/dbraw/zinc/59/83/23/782598323.db2.gz KZPNAKZMHLBWFP-VHSXEESVSA-N 1 1 322.369 -1.496 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101620969 782598769 /nfs/dbraw/zinc/59/87/69/782598769.db2.gz WNQJCRJEOCFNAB-SNVBAGLBSA-N 1 1 307.354 -1.287 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101624459 782598813 /nfs/dbraw/zinc/59/88/13/782598813.db2.gz VQKBWAVAOJDOII-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101617004 782599049 /nfs/dbraw/zinc/59/90/49/782599049.db2.gz IWJMUSWAUFGBEP-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C2)[nH]1 ZINC001101711100 782599770 /nfs/dbraw/zinc/59/97/70/782599770.db2.gz MGWWNUVFPUAUMS-PSASIEDQSA-N 1 1 309.374 -1.034 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C2)[nH]1 ZINC001101711100 782599776 /nfs/dbraw/zinc/59/97/76/782599776.db2.gz MGWWNUVFPUAUMS-PSASIEDQSA-N 1 1 309.374 -1.034 20 0 DAADMO CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001101640472 782599920 /nfs/dbraw/zinc/59/99/20/782599920.db2.gz AUWLBKQFXPVRJN-SNVBAGLBSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837679 782604271 /nfs/dbraw/zinc/60/42/71/782604271.db2.gz IZWJEECBZGQMES-HRDYMLBCSA-N 1 1 313.358 -1.871 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101709843 782600617 /nfs/dbraw/zinc/60/06/17/782600617.db2.gz NVALMQWAHRVTQU-GHMZBOCLSA-N 1 1 313.402 -1.183 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711062 782600764 /nfs/dbraw/zinc/60/07/64/782600764.db2.gz KTKORBXWELCTCC-KXUCPTDWSA-N 1 1 324.389 -1.377 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711062 782600770 /nfs/dbraw/zinc/60/07/70/782600770.db2.gz KTKORBXWELCTCC-KXUCPTDWSA-N 1 1 324.389 -1.377 20 0 DAADMO COCCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101667168 782601008 /nfs/dbraw/zinc/60/10/08/782601008.db2.gz QGXYRNCJRPTVEY-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101684330 782601032 /nfs/dbraw/zinc/60/10/32/782601032.db2.gz AKRGSTOPGCTUKB-RTXFEEFZSA-N 1 1 301.387 -1.186 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CN1CCOCC1 ZINC001101889757 782604075 /nfs/dbraw/zinc/60/40/75/782604075.db2.gz RWCYTMDTZKLYAQ-MCIONIFRSA-N 1 1 324.425 -1.109 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001101769790 782601635 /nfs/dbraw/zinc/60/16/35/782601635.db2.gz PESBIEWAXQMROX-GMTAPVOTSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714801 782601937 /nfs/dbraw/zinc/60/19/37/782601937.db2.gz PCTNKMFXKYVEMR-NXEZZACHSA-N 1 1 306.330 -1.060 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714801 782601947 /nfs/dbraw/zinc/60/19/47/782601947.db2.gz PCTNKMFXKYVEMR-NXEZZACHSA-N 1 1 306.330 -1.060 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001101743116 782602263 /nfs/dbraw/zinc/60/22/63/782602263.db2.gz KVJNURGWNREKSS-RKDXNWHRSA-N 1 1 308.342 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711270 782602487 /nfs/dbraw/zinc/60/24/87/782602487.db2.gz UOFWEFVTBWKFLO-GHMZBOCLSA-N 1 1 302.375 -1.652 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001101769791 782602525 /nfs/dbraw/zinc/60/25/25/782602525.db2.gz PESBIEWAXQMROX-MXWKQRLJSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101712457 782602678 /nfs/dbraw/zinc/60/26/78/782602678.db2.gz WOTRNIYWGOSAHK-GHMZBOCLSA-N 1 1 309.374 -1.370 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716222 782603061 /nfs/dbraw/zinc/60/30/61/782603061.db2.gz YFWJCGQYRDRICV-IJLUTSLNSA-N 1 1 323.401 -1.166 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101714507 782603176 /nfs/dbraw/zinc/60/31/76/782603176.db2.gz DPGUHYOGFIIHMH-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714936 782603451 /nfs/dbraw/zinc/60/34/51/782603451.db2.gz UQSKQYHPQBNHCL-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101714936 782603457 /nfs/dbraw/zinc/60/34/57/782603457.db2.gz UQSKQYHPQBNHCL-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716221 782603505 /nfs/dbraw/zinc/60/35/05/782603505.db2.gz YFWJCGQYRDRICV-GRYCIOLGSA-N 1 1 323.401 -1.166 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784465 782603919 /nfs/dbraw/zinc/60/39/19/782603919.db2.gz DMDGKJIJSTWFBV-GMTAPVOTSA-N 1 1 319.427 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784465 782603925 /nfs/dbraw/zinc/60/39/25/782603925.db2.gz DMDGKJIJSTWFBV-GMTAPVOTSA-N 1 1 319.427 -1.150 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607285 782598228 /nfs/dbraw/zinc/59/82/28/782598228.db2.gz LDDVMQGFSQWDGL-VHSXEESVSA-N 1 1 322.369 -1.496 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101979861 782608195 /nfs/dbraw/zinc/60/81/95/782608195.db2.gz FUEVVOWKRZIQKR-OUAUKWLOSA-N 1 1 309.374 -1.508 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979207 782608522 /nfs/dbraw/zinc/60/85/22/782608522.db2.gz PCTSWMUMPQNGBG-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979207 782608529 /nfs/dbraw/zinc/60/85/29/782608529.db2.gz PCTSWMUMPQNGBG-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101837939 782604614 /nfs/dbraw/zinc/60/46/14/782604614.db2.gz UQNRJLAUVJMAPS-NXEZZACHSA-N 1 1 305.400 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101837939 782604618 /nfs/dbraw/zinc/60/46/18/782604618.db2.gz UQNRJLAUVJMAPS-NXEZZACHSA-N 1 1 305.400 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101839927 782604863 /nfs/dbraw/zinc/60/48/63/782604863.db2.gz LVTUGQIDZCDKHG-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2)[C@H](C)C1 ZINC001101927880 782608788 /nfs/dbraw/zinc/60/87/88/782608788.db2.gz PMXKYXULIYCDHI-MXWKQRLJSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001101911671 782606025 /nfs/dbraw/zinc/60/60/25/782606025.db2.gz NOUOVAZVDYYECJ-OUAUKWLOSA-N 1 1 313.402 -1.185 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101903766 782606149 /nfs/dbraw/zinc/60/61/49/782606149.db2.gz RJUAIYQHMYTKEN-GMTAPVOTSA-N 1 1 324.385 -1.198 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101902362 782606689 /nfs/dbraw/zinc/60/66/89/782606689.db2.gz LKCUNOKECZTUIL-GMTAPVOTSA-N 1 1 322.369 -1.444 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101893878 782606849 /nfs/dbraw/zinc/60/68/49/782606849.db2.gz VQVQDKAHHMRLFL-OPRDCNLKSA-N 1 1 310.358 -1.458 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101902363 782607075 /nfs/dbraw/zinc/60/70/75/782607075.db2.gz LKCUNOKECZTUIL-MXWKQRLJSA-N 1 1 322.369 -1.444 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001101908355 782607286 /nfs/dbraw/zinc/60/72/86/782607286.db2.gz QBVDDOPXOWXNBI-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102023703 782610575 /nfs/dbraw/zinc/61/05/75/782610575.db2.gz GAIAJTPBVGUBOB-VXGBXAGGSA-N 1 1 316.402 -1.392 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001101992570 782610608 /nfs/dbraw/zinc/61/06/08/782610608.db2.gz UQVFJHZSOXLINL-OUAUKWLOSA-N 1 1 314.386 -1.693 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102023914 782610645 /nfs/dbraw/zinc/61/06/45/782610645.db2.gz QOPAYFZBMVGPMD-GMTAPVOTSA-N 1 1 311.386 -1.512 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102017758 782611322 /nfs/dbraw/zinc/61/13/22/782611322.db2.gz QMBUIOKHGSCLRA-GHMZBOCLSA-N 1 1 307.416 -1.398 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001102118641 782612303 /nfs/dbraw/zinc/61/23/03/782612303.db2.gz PQDAKLZAUGWYSL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118641 782612308 /nfs/dbraw/zinc/61/23/08/782612308.db2.gz PQDAKLZAUGWYSL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118641 782612313 /nfs/dbraw/zinc/61/23/13/782612313.db2.gz PQDAKLZAUGWYSL-IWSPIJDZSA-N 1 1 323.357 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001102128223 782612499 /nfs/dbraw/zinc/61/24/99/782612499.db2.gz GLILNRMKYQCJLN-NXEZZACHSA-N 1 1 323.353 -1.882 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102107498 782612699 /nfs/dbraw/zinc/61/26/99/782612699.db2.gz QYDCQOZQIDHKJB-VXGBXAGGSA-N 1 1 311.386 -1.088 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 ZINC001102057386 782613155 /nfs/dbraw/zinc/61/31/55/782613155.db2.gz JVJOJXMOLRNKIH-MXWKQRLJSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215410 782613324 /nfs/dbraw/zinc/61/33/24/782613324.db2.gz PZHUKLXUDNIHHW-JHJVBQTASA-N 1 1 312.414 -1.517 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102405038 782617479 /nfs/dbraw/zinc/61/74/79/782617479.db2.gz XFJSBKAVBHNRHS-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102404718 782618017 /nfs/dbraw/zinc/61/80/17/782618017.db2.gz JSEVPVUVRRGWAN-GMTAPVOTSA-N 1 1 307.416 -1.400 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C)C(N)=O ZINC001102439209 782618299 /nfs/dbraw/zinc/61/82/99/782618299.db2.gz XHYWVDHYOYEONK-JLLWLGSASA-N 1 1 314.386 -1.957 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102107432 782613685 /nfs/dbraw/zinc/61/36/85/782613685.db2.gz NZYCRUGRCBVFJX-OUAUKWLOSA-N 1 1 324.385 -1.860 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1CCOCC1=O ZINC001102052919 782613993 /nfs/dbraw/zinc/61/39/93/782613993.db2.gz JLOZHOKEOFNGLB-GHMZBOCLSA-N 1 1 312.370 -1.985 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001102222779 782614468 /nfs/dbraw/zinc/61/44/68/782614468.db2.gz GJBJNFCELUJGOD-UPJWGTAASA-N 1 1 313.398 -1.185 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001102292693 782614515 /nfs/dbraw/zinc/61/45/15/782614515.db2.gz ZAWAKWFKXFFUIZ-UTUOFQBUSA-N 1 1 314.386 -1.639 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001102248806 782615081 /nfs/dbraw/zinc/61/50/81/782615081.db2.gz OULSACATFSOZNN-YFVNTRNASA-N 1 1 324.381 -1.242 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)[C@H](C)C1 ZINC001102222617 782615109 /nfs/dbraw/zinc/61/51/09/782615109.db2.gz AEVIWYGIGAGPKC-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(C)CCNC2=O)[C@H](C)C1 ZINC001102359457 782615164 /nfs/dbraw/zinc/61/51/64/782615164.db2.gz LFEJJARDLTUCKS-UEKVPHQBSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102297317 782615720 /nfs/dbraw/zinc/61/57/20/782615720.db2.gz UOXGQOYSTIKAFK-NXEZZACHSA-N 1 1 320.415 -1.776 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102298370 782615907 /nfs/dbraw/zinc/61/59/07/782615907.db2.gz POEPFALFWZHOTO-GHMZBOCLSA-N 1 1 307.416 -1.269 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001102241198 782616068 /nfs/dbraw/zinc/61/60/68/782616068.db2.gz JHOFXAJLOZDFOU-GHMZBOCLSA-N 1 1 323.401 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001102292692 782616135 /nfs/dbraw/zinc/61/61/35/782616135.db2.gz ZAWAKWFKXFFUIZ-IJLUTSLNSA-N 1 1 314.386 -1.639 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CS(=O)(=O)NC)[C@H](C)C1 ZINC001102581837 782621305 /nfs/dbraw/zinc/62/13/05/782621305.db2.gz IXCMIDYHUHTRHV-NXEZZACHSA-N 1 1 320.415 -2.034 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCCN1C ZINC001102883385 782621764 /nfs/dbraw/zinc/62/17/64/782621764.db2.gz PDLMEGVMQALDCU-JHJVBQTASA-N 1 1 312.414 -1.124 20 0 DAADMO COC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102716668 782621789 /nfs/dbraw/zinc/62/17/89/782621789.db2.gz IBDLJKHLUXZQGT-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655035 782621897 /nfs/dbraw/zinc/62/18/97/782621897.db2.gz NJJGJHVLJABUCO-MXWKQRLJSA-N 1 1 313.402 -1.007 20 0 DAADMO CNC(=O)CC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102897724 782622263 /nfs/dbraw/zinc/62/22/63/782622263.db2.gz ANOSVCVBLOYSFV-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)CC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102897724 782622266 /nfs/dbraw/zinc/62/22/66/782622266.db2.gz ANOSVCVBLOYSFV-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102655130 782622534 /nfs/dbraw/zinc/62/25/34/782622534.db2.gz RTNVJYJEOZFWAX-VXGBXAGGSA-N 1 1 316.402 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CC(N)=O ZINC001102801829 782622967 /nfs/dbraw/zinc/62/29/67/782622967.db2.gz HQTFSMINLACFQY-NXEZZACHSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732464 782623155 /nfs/dbraw/zinc/62/31/55/782623155.db2.gz RDRHAQOLAKIAIB-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732464 782623163 /nfs/dbraw/zinc/62/31/63/782623163.db2.gz RDRHAQOLAKIAIB-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102656480 782623304 /nfs/dbraw/zinc/62/33/04/782623304.db2.gz BRAHRKUCITYVPY-OUAUKWLOSA-N 1 1 309.374 -1.379 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001103098894 782623832 /nfs/dbraw/zinc/62/38/32/782623832.db2.gz QOBJLPBIIKUSNL-MXWKQRLJSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)NC(N)=O ZINC001102978723 782624543 /nfs/dbraw/zinc/62/45/43/782624543.db2.gz GXDMENWPOWUPJK-GMTAPVOTSA-N 1 1 313.402 -1.007 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102992876 782624569 /nfs/dbraw/zinc/62/45/69/782624569.db2.gz JNWGWAWJHXVVMR-IJLUTSLNSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CCS(C)(=O)=O ZINC001103150483 782625155 /nfs/dbraw/zinc/62/51/55/782625155.db2.gz RJXXVARORGSKLE-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CCS(C)(=O)=O ZINC001103150483 782625157 /nfs/dbraw/zinc/62/51/57/782625157.db2.gz RJXXVARORGSKLE-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CNC(=O)Cn1cncn1 ZINC001102597804 782619662 /nfs/dbraw/zinc/61/96/62/782619662.db2.gz YPHNCMFKSOYFAQ-VXGBXAGGSA-N 1 1 324.385 -1.929 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC001102557661 782619926 /nfs/dbraw/zinc/61/99/26/782619926.db2.gz IPERSQKIBPPCJB-GHMZBOCLSA-N 1 1 312.370 -1.131 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102615414 782620650 /nfs/dbraw/zinc/62/06/50/782620650.db2.gz ZRXMGXVIJDRUSI-VXNVDRBHSA-N 1 1 324.341 -1.129 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCNC(N)=O ZINC001102561617 782620865 /nfs/dbraw/zinc/62/08/65/782620865.db2.gz JUPFUOSRQGPZDV-GMTAPVOTSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001102620200 782620893 /nfs/dbraw/zinc/62/08/93/782620893.db2.gz UWENUHLSDDONNV-GHMZBOCLSA-N 1 1 308.386 -1.083 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1ccnc1 ZINC001102616191 782620938 /nfs/dbraw/zinc/62/09/38/782620938.db2.gz NPBXIGBBWILHHH-GHMZBOCLSA-N 1 1 322.369 -1.238 20 0 DAADMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001111679963 782631220 /nfs/dbraw/zinc/63/12/20/782631220.db2.gz CZPVCVJLOSTNMB-SDBXPKJASA-N 1 1 311.342 -1.973 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001103789604 782628427 /nfs/dbraw/zinc/62/84/27/782628427.db2.gz JRURCKRSIKKZMX-MXWKQRLJSA-N 1 1 324.381 -1.401 20 0 DAADMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001111679963 782631225 /nfs/dbraw/zinc/63/12/25/782631225.db2.gz CZPVCVJLOSTNMB-SDBXPKJASA-N 1 1 311.342 -1.973 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001103315007 782625733 /nfs/dbraw/zinc/62/57/33/782625733.db2.gz KXUBGIHAZLEJFY-GMTAPVOTSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103389358 782625955 /nfs/dbraw/zinc/62/59/55/782625955.db2.gz RAMMGFCYHOYTDE-BBBLOLIVSA-N 1 1 310.354 -1.649 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001103705865 782626446 /nfs/dbraw/zinc/62/64/46/782626446.db2.gz PLULERJZDRPGHU-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CCn1cnnn1 ZINC001103569535 782626472 /nfs/dbraw/zinc/62/64/72/782626472.db2.gz OOTNYEMYWBSYEV-GHMZBOCLSA-N 1 1 309.374 -1.377 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103732856 782626942 /nfs/dbraw/zinc/62/69/42/782626942.db2.gz YPYGCBNMCWZKHC-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586072 782631525 /nfs/dbraw/zinc/63/15/25/782631525.db2.gz FMBMOPMLKGGAHU-MJVIPROJSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111586404 782632098 /nfs/dbraw/zinc/63/20/98/782632098.db2.gz VISUCBBCJYNWDK-FZMZJTMJSA-N 1 1 314.386 -1.366 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114982051 782637268 /nfs/dbraw/zinc/63/72/68/782637268.db2.gz HHDYQZAIMITVHR-WHOHXGKFSA-N 1 1 308.382 -1.164 20 0 DAADMO CN(CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)S(C)(=O)=O ZINC001111768868 782632988 /nfs/dbraw/zinc/63/29/88/782632988.db2.gz CGDOPALIMSRPOR-AAEUAGOBSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001114973293 782637337 /nfs/dbraw/zinc/63/73/37/782637337.db2.gz VMYOLJKLAUPPKN-IAZYJMLFSA-N 1 1 308.382 -1.353 20 0 DAADMO NC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cnn[nH]2)C1 ZINC001111795816 782633383 /nfs/dbraw/zinc/63/33/83/782633383.db2.gz GXYIJCYQBBINCZ-SDBXPKJASA-N 1 1 321.341 -1.416 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112087541 782634703 /nfs/dbraw/zinc/63/47/03/782634703.db2.gz ISCVAURTTMUIQN-RNFRBKRXSA-N 1 1 310.276 -1.413 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(N)=O)C1 ZINC001111973598 782635062 /nfs/dbraw/zinc/63/50/62/782635062.db2.gz WNKWDGLTJQARDO-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111974791 782635238 /nfs/dbraw/zinc/63/52/38/782635238.db2.gz CMTDFZHZDQCPOU-RWSFTLGLSA-N 1 1 323.397 -1.096 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112157139 782635402 /nfs/dbraw/zinc/63/54/02/782635402.db2.gz STYADOQQYYHKRZ-HTQZYQBOSA-N 1 1 324.303 -1.071 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001114972143 782637418 /nfs/dbraw/zinc/63/74/18/782637418.db2.gz GLUUCVXDNUIRDI-WHOHXGKFSA-N 1 1 320.393 -1.162 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114968414 782636390 /nfs/dbraw/zinc/63/63/90/782636390.db2.gz JAVYWCWFWPOCJM-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)n1 ZINC001114968414 782636396 /nfs/dbraw/zinc/63/63/96/782636396.db2.gz JAVYWCWFWPOCJM-IWIIMEHWSA-N 1 1 306.370 -1.000 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115044006 782640377 /nfs/dbraw/zinc/64/03/77/782640377.db2.gz LOQWZPFSJZAGCJ-KZWBYHQPSA-N 1 1 319.365 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnccc1=O ZINC001115044006 782640386 /nfs/dbraw/zinc/64/03/86/782640386.db2.gz LOQWZPFSJZAGCJ-KZWBYHQPSA-N 1 1 319.365 -1.446 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115055717 782640440 /nfs/dbraw/zinc/64/04/40/782640440.db2.gz LVGHGTYHYPVNSX-PUHVVEEASA-N 1 1 309.370 -1.241 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1ncnn1C ZINC001115055513 782640530 /nfs/dbraw/zinc/64/05/30/782640530.db2.gz IOMBQSARMGELMP-KZWBYHQPSA-N 1 1 309.370 -1.241 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115053099 782640861 /nfs/dbraw/zinc/64/08/61/782640861.db2.gz MOAMYORTMJPLIH-IAZYJMLFSA-N 1 1 305.400 -1.693 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115094077 782641447 /nfs/dbraw/zinc/64/14/47/782641447.db2.gz NNHDTEFTRQVJFC-GJTWSCIVSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC1CC1 ZINC001115094077 782641451 /nfs/dbraw/zinc/64/14/51/782641451.db2.gz NNHDTEFTRQVJFC-GJTWSCIVSA-N 1 1 308.382 -1.177 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115100428 782641909 /nfs/dbraw/zinc/64/19/09/782641909.db2.gz ASDGYLVHPMNGRS-DEKYYXRVSA-N 1 1 308.382 -1.033 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001115104248 782642312 /nfs/dbraw/zinc/64/23/12/782642312.db2.gz TYEFDYOERKHLRF-DCQANWLSSA-N 1 1 321.385 -1.367 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001115116660 782642535 /nfs/dbraw/zinc/64/25/35/782642535.db2.gz OYZMIYPSSIYFQP-MDHDOXDCSA-N 1 1 308.382 -1.177 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001115116660 782642538 /nfs/dbraw/zinc/64/25/38/782642538.db2.gz OYZMIYPSSIYFQP-MDHDOXDCSA-N 1 1 308.382 -1.177 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115103663 782642591 /nfs/dbraw/zinc/64/25/91/782642591.db2.gz NDEMMQWJJJDZCG-MSRIBSCDSA-N 1 1 306.370 -1.128 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115105518 782642751 /nfs/dbraw/zinc/64/27/51/782642751.db2.gz GLBIYMPFIDQWSO-KXNHARMFSA-N 1 1 320.393 -1.210 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC001115105529 782642765 /nfs/dbraw/zinc/64/27/65/782642765.db2.gz GSDOMVZUGHQROA-PJXYFTJBSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115005140 782638411 /nfs/dbraw/zinc/63/84/11/782638411.db2.gz FSLZMPYVRWRJHS-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115005140 782638424 /nfs/dbraw/zinc/63/84/24/782638424.db2.gz FSLZMPYVRWRJHS-GDGBQDQQSA-N 1 1 318.337 -1.408 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994409 782638596 /nfs/dbraw/zinc/63/85/96/782638596.db2.gz MCLUIJIMQFVZIO-MTBHXBHISA-N 1 1 308.298 -1.815 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994409 782638598 /nfs/dbraw/zinc/63/85/98/782638598.db2.gz MCLUIJIMQFVZIO-MTBHXBHISA-N 1 1 308.298 -1.815 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018559 782639326 /nfs/dbraw/zinc/63/93/26/782639326.db2.gz UPANVQUAINKVAU-YABSGUDNSA-N 1 1 321.385 -1.366 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018559 782639334 /nfs/dbraw/zinc/63/93/34/782639334.db2.gz UPANVQUAINKVAU-YABSGUDNSA-N 1 1 321.385 -1.366 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115033636 782639450 /nfs/dbraw/zinc/63/94/50/782639450.db2.gz OXWMSGKHKMKCKT-XQHKEYJVSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115033634 782639502 /nfs/dbraw/zinc/63/95/02/782639502.db2.gz OXWMSGKHKMKCKT-QNWHQSFQSA-N 1 1 320.393 -1.162 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccccc1 ZINC001115162117 782644704 /nfs/dbraw/zinc/64/47/04/782644704.db2.gz SMWZIBDAVRPHFV-JYAVWHMHSA-N 1 1 316.361 -1.052 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccccc1 ZINC001115162117 782644708 /nfs/dbraw/zinc/64/47/08/782644708.db2.gz SMWZIBDAVRPHFV-JYAVWHMHSA-N 1 1 316.361 -1.052 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC001115206821 782644882 /nfs/dbraw/zinc/64/48/82/782644882.db2.gz DKHJEMDTSIWIKO-PUHVVEEASA-N 1 1 322.365 -1.552 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)no1 ZINC001115233784 782647907 /nfs/dbraw/zinc/64/79/07/782647907.db2.gz NWCMUMZKYYTTHJ-REIXXSIJSA-N 1 1 321.337 -1.158 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115208570 782645865 /nfs/dbraw/zinc/64/58/65/782645865.db2.gz FPRSOKOJALBXDT-VROVMSAKSA-N 1 1 307.314 -2.481 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115208570 782645868 /nfs/dbraw/zinc/64/58/68/782645868.db2.gz FPRSOKOJALBXDT-VROVMSAKSA-N 1 1 307.314 -2.481 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115221711 782647998 /nfs/dbraw/zinc/64/79/98/782647998.db2.gz XRXKNTVJJYDEQF-KIKITERTSA-N 1 1 323.353 -2.104 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC001115218587 782646533 /nfs/dbraw/zinc/64/65/33/782646533.db2.gz GMOTYRRWZNEGIS-FOCJUVANSA-N 1 1 321.377 -1.098 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115218856 782646576 /nfs/dbraw/zinc/64/65/76/782646576.db2.gz LXBIUYPDDSCUJV-SVDPJWKOSA-N 1 1 300.359 -1.902 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242293 782647468 /nfs/dbraw/zinc/64/74/68/782647468.db2.gz YYCFXVQDNSUTCT-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242293 782647471 /nfs/dbraw/zinc/64/74/71/782647471.db2.gz YYCFXVQDNSUTCT-GDGBQDQQSA-N 1 1 320.353 -1.464 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001115242957 782647614 /nfs/dbraw/zinc/64/76/14/782647614.db2.gz GYEXJCORAIZVLE-IWIIMEHWSA-N 1 1 319.365 -1.090 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001115242957 782647617 /nfs/dbraw/zinc/64/76/17/782647617.db2.gz GYEXJCORAIZVLE-IWIIMEHWSA-N 1 1 319.365 -1.090 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115220633 782647734 /nfs/dbraw/zinc/64/77/34/782647734.db2.gz MTLPNFOCIQKDCX-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001115156299 782643848 /nfs/dbraw/zinc/64/38/48/782643848.db2.gz LUGWODVJERGVJA-WHOHXGKFSA-N 1 1 320.393 -1.162 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115287755 782650067 /nfs/dbraw/zinc/65/00/67/782650067.db2.gz DLPQGXKJNRDJFX-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001115291574 782650226 /nfs/dbraw/zinc/65/02/26/782650226.db2.gz GJWCNMMEVZYHDL-JYAVWHMHSA-N 1 1 318.381 -1.149 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CC(N)=O)CCCCC1 ZINC001115458781 782653261 /nfs/dbraw/zinc/65/32/61/782653261.db2.gz XIOHNMLJSBFBJQ-UHFFFAOYSA-N 1 1 309.374 -1.006 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115296618 782651184 /nfs/dbraw/zinc/65/11/84/782651184.db2.gz WKRCOXXUHFXBDL-IWIIMEHWSA-N 1 1 322.369 -1.540 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001115306268 782651220 /nfs/dbraw/zinc/65/12/20/782651220.db2.gz LOEOAFMFDARQLD-IWIIMEHWSA-N 1 1 321.381 -1.480 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001115306268 782651222 /nfs/dbraw/zinc/65/12/22/782651222.db2.gz LOEOAFMFDARQLD-IWIIMEHWSA-N 1 1 321.381 -1.480 20 0 DAADMO COCCOCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115337208 782651683 /nfs/dbraw/zinc/65/16/83/782651683.db2.gz RWFHKNGGLVSURJ-KZVDOYCCSA-N 1 1 311.382 -1.026 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115348431 782651746 /nfs/dbraw/zinc/65/17/46/782651746.db2.gz RONUJLGCPMPYRZ-BBGACYKPSA-N 1 1 308.382 -1.033 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCC(N)=O)C1=O ZINC001115350684 782651865 /nfs/dbraw/zinc/65/18/65/782651865.db2.gz VMHGTBTWHNBOIC-DEKYYXRVSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115343477 782652055 /nfs/dbraw/zinc/65/20/55/782652055.db2.gz JFWYNBJTWRGYQA-UXCLJVHYSA-N 1 1 320.353 -1.487 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115343477 782652061 /nfs/dbraw/zinc/65/20/61/782652061.db2.gz JFWYNBJTWRGYQA-UXCLJVHYSA-N 1 1 320.353 -1.487 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCCO1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115350240 782652273 /nfs/dbraw/zinc/65/22/73/782652273.db2.gz PMXHUYXWZWNSBE-KZVDOYCCSA-N 1 1 311.382 -1.290 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115346301 782652311 /nfs/dbraw/zinc/65/23/11/782652311.db2.gz UJIYUMDWNCSGGX-ODXREFDESA-N 1 1 322.325 -1.379 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)C(N)=O ZINC001115361435 782653323 /nfs/dbraw/zinc/65/33/23/782653323.db2.gz VZFAIJOTRBPELV-DCQANWLSSA-N 1 1 310.398 -1.074 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)C(N)=O ZINC001115361435 782653329 /nfs/dbraw/zinc/65/33/29/782653329.db2.gz VZFAIJOTRBPELV-DCQANWLSSA-N 1 1 310.398 -1.074 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115346301 782652316 /nfs/dbraw/zinc/65/23/16/782652316.db2.gz UJIYUMDWNCSGGX-ODXREFDESA-N 1 1 322.325 -1.379 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115249925 782649069 /nfs/dbraw/zinc/64/90/69/782649069.db2.gz POBOAVQVRAWBFK-IAZYJMLFSA-N 1 1 321.399 -2.409 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)N(C)C ZINC001115282951 782649634 /nfs/dbraw/zinc/64/96/34/782649634.db2.gz YTQMIYLBPRTWJZ-MEWQQHAOSA-N 1 1 319.427 -1.305 20 0 DAADMO O=C(CCNC(=O)c1cnccn1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115265123 782649760 /nfs/dbraw/zinc/64/97/60/782649760.db2.gz CTYBUNMMDDOWSP-YABSGUDNSA-N 1 1 319.365 -1.365 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115288398 782649848 /nfs/dbraw/zinc/64/98/48/782649848.db2.gz QWCIUTZLRKKUFY-YABSGUDNSA-N 1 1 322.369 -1.913 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001116078813 782657364 /nfs/dbraw/zinc/65/73/64/782657364.db2.gz VZZWMSVAPPAAJM-GFCCVEGCSA-N 1 1 310.398 -1.225 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)C1 ZINC001116177812 782658092 /nfs/dbraw/zinc/65/80/92/782658092.db2.gz DPPSUDKWTUBCHO-BHDSKKPTSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)C1 ZINC001116177812 782658095 /nfs/dbraw/zinc/65/80/95/782658095.db2.gz DPPSUDKWTUBCHO-BHDSKKPTSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)C1 ZINC001116177813 782658946 /nfs/dbraw/zinc/65/89/46/782658946.db2.gz DPPSUDKWTUBCHO-ISTVAULSSA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)C1 ZINC001116177813 782658952 /nfs/dbraw/zinc/65/89/52/782658952.db2.gz DPPSUDKWTUBCHO-ISTVAULSSA-N 1 1 310.354 -1.189 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001115355997 782653470 /nfs/dbraw/zinc/65/34/70/782653470.db2.gz CCNDQWGDHMBIGA-RMRHIDDWSA-N 1 1 324.425 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001115355997 782653473 /nfs/dbraw/zinc/65/34/73/782653473.db2.gz CCNDQWGDHMBIGA-RMRHIDDWSA-N 1 1 324.425 -1.110 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC001115359261 782653580 /nfs/dbraw/zinc/65/35/80/782653580.db2.gz UQFKXELIAGLNKG-CZXHOFHRSA-N 1 1 318.381 -1.317 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001115893649 782654698 /nfs/dbraw/zinc/65/46/98/782654698.db2.gz ARDDIYHNTPUVOB-NSHDSACASA-N 1 1 310.354 -1.139 20 0 DAADMO CN(CCCNC(=O)C[NH+]1CCC(O)CC1)S(C)(=O)=O ZINC001116049440 782656320 /nfs/dbraw/zinc/65/63/20/782656320.db2.gz UWYKTKCHUDKLCQ-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO COc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ncn1 ZINC001116618480 782664776 /nfs/dbraw/zinc/66/47/76/782664776.db2.gz ZBIKVWSNRFHTPZ-ZDUSSCGKSA-N 1 1 309.326 -1.394 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCC(=O)NC(N)=O)C1 ZINC001116822359 782668603 /nfs/dbraw/zinc/66/86/03/782668603.db2.gz VMYUHUSNUPLZMI-GHMZBOCLSA-N 1 1 303.359 -1.083 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001117038802 782672020 /nfs/dbraw/zinc/67/20/20/782672020.db2.gz TXQZZKIJLNOVQC-PJXYFTJBSA-N 1 1 324.381 -1.972 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC001116958788 782670790 /nfs/dbraw/zinc/67/07/90/782670790.db2.gz YLMVKTGYCSJVNC-ZDUSSCGKSA-N 1 1 322.413 -1.249 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCNC(=O)CC1 ZINC001116958702 782671216 /nfs/dbraw/zinc/67/12/16/782671216.db2.gz VRKOLRONBPUNRF-UHFFFAOYSA-N 1 1 312.370 -1.827 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001117070063 782673623 /nfs/dbraw/zinc/67/36/23/782673623.db2.gz BHYWVKFKCMSINE-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1)C1CC1 ZINC001117101079 782675025 /nfs/dbraw/zinc/67/50/25/782675025.db2.gz UNOMPNJBKGVIJT-UHFFFAOYSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCC1(S(C)(=O)=O)CC1)C1CC1 ZINC001117101079 782675030 /nfs/dbraw/zinc/67/50/30/782675030.db2.gz UNOMPNJBKGVIJT-UHFFFAOYSA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC001117127205 782676254 /nfs/dbraw/zinc/67/62/54/782676254.db2.gz WNSWMBOUFRTZMP-OAHLLOKOSA-N 1 1 308.382 -1.065 20 0 DAADMO CS(=O)(=O)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117140667 782676914 /nfs/dbraw/zinc/67/69/14/782676914.db2.gz BAXXOTCMELIIOJ-SNVBAGLBSA-N 1 1 317.411 -1.110 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)CC[N@H+]1C ZINC001117275147 782679875 /nfs/dbraw/zinc/67/98/75/782679875.db2.gz SLBKQOIBHVFNQM-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC001117314672 782682349 /nfs/dbraw/zinc/68/23/49/782682349.db2.gz HYUJEMDLGKUGJG-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC001117314675 782682417 /nfs/dbraw/zinc/68/24/17/782682417.db2.gz HYUJEMDLGKUGJG-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CON(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001117338187 782685016 /nfs/dbraw/zinc/68/50/16/782685016.db2.gz LWIBLINIOPMZKA-LBPRGKRZSA-N 1 1 314.386 -1.471 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC(C)(C)O ZINC001117359102 782686649 /nfs/dbraw/zinc/68/66/49/782686649.db2.gz GDSVARUEKKUUAH-LLVKDONJSA-N 1 1 300.403 -1.374 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC(C)(C)O ZINC001117359103 782686711 /nfs/dbraw/zinc/68/67/11/782686711.db2.gz GDSVARUEKKUUAH-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC([C@@H]2CCOC2)C1 ZINC001117359809 782687464 /nfs/dbraw/zinc/68/74/64/782687464.db2.gz OPXLLPKBQGFTPM-OCCSQVGLSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(NCCN1C(=O)CCC1=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117370448 782687529 /nfs/dbraw/zinc/68/75/29/782687529.db2.gz BWULWJOMBIQLRO-SNVBAGLBSA-N 1 1 322.365 -1.396 20 0 DAADMO CN(Cc1nccn1C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001117359523 782687683 /nfs/dbraw/zinc/68/76/83/782687683.db2.gz LKQHMAHOMGWWSL-GFCCVEGCSA-N 1 1 322.413 -1.260 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC001117360173 782688291 /nfs/dbraw/zinc/68/82/91/782688291.db2.gz SWAVURZVCRGFCC-GFCCVEGCSA-N 1 1 320.397 -1.344 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC001117387014 782689424 /nfs/dbraw/zinc/68/94/24/782689424.db2.gz LRRCMDKLPUWBCM-UHFFFAOYSA-N 1 1 307.358 -1.620 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC001117585701 782695238 /nfs/dbraw/zinc/69/52/38/782695238.db2.gz KEEXICROTUYCLK-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001117585701 782695242 /nfs/dbraw/zinc/69/52/42/782695242.db2.gz KEEXICROTUYCLK-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001118172799 782705188 /nfs/dbraw/zinc/70/51/88/782705188.db2.gz KPDDZBNSMZKCCT-KOLCDFICSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001118181358 782706655 /nfs/dbraw/zinc/70/66/55/782706655.db2.gz XNPCJOYVCVSLQE-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001118181354 782706939 /nfs/dbraw/zinc/70/69/39/782706939.db2.gz XNPCJOYVCVSLQE-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO CCCN(C(=O)C(=O)NCc1nnn(C)n1)[C@H]1CC[N@@H+](C)C1 ZINC001118220469 782708481 /nfs/dbraw/zinc/70/84/81/782708481.db2.gz WBWLDXDJOPMHMH-JTQLQIEISA-N 1 1 309.374 -1.231 20 0 DAADMO CN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC[NH2+]CC1 ZINC001118331344 782715091 /nfs/dbraw/zinc/71/50/91/782715091.db2.gz PSNJLFVZSGMNAH-QWHCGFSZSA-N 1 1 310.398 -1.526 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001118327150 782715421 /nfs/dbraw/zinc/71/54/21/782715421.db2.gz YWNBICBVYHSLLZ-QMMMGPOBSA-N 1 1 320.296 -1.204 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118402092 782719199 /nfs/dbraw/zinc/71/91/99/782719199.db2.gz YNRDLWXSZZFJIH-WDEREUQCSA-N 1 1 312.370 -2.094 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001118407332 782719279 /nfs/dbraw/zinc/71/92/79/782719279.db2.gz KENHZKHSLCJYLR-NOOOWODRSA-N 1 1 324.381 -1.966 20 0 DAADMO C[C@]12COC[C@H]1CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001118464366 782720401 /nfs/dbraw/zinc/72/04/01/782720401.db2.gz BEESYPSMFCGTAJ-IATRGZMQSA-N 1 1 323.393 -1.241 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 ZINC001118471552 782720680 /nfs/dbraw/zinc/72/06/80/782720680.db2.gz KTLPCONHVQVWAT-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001118549827 782725390 /nfs/dbraw/zinc/72/53/90/782725390.db2.gz BKWLZFHCEUZPRI-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726399 /nfs/dbraw/zinc/72/63/99/782726399.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726403 /nfs/dbraw/zinc/72/64/03/782726403.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@@H+](C/C=C\CN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726407 /nfs/dbraw/zinc/72/64/07/782726407.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@H+](C/C=C\CN2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726412 /nfs/dbraw/zinc/72/64/12/782726412.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726418 /nfs/dbraw/zinc/72/64/18/782726418.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001118558123 782726422 /nfs/dbraw/zinc/72/64/22/782726422.db2.gz MXNVHSYDYSENPA-YCBWMULKSA-N 1 1 314.426 -1.107 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001118703129 782732317 /nfs/dbraw/zinc/73/23/17/782732317.db2.gz PAVZUTCMJHOAPB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCCNC(=O)CC[C@@H]1NC(=O)NC1=O)CC[NH+](C)C ZINC001118703129 782732327 /nfs/dbraw/zinc/73/23/27/782732327.db2.gz PAVZUTCMJHOAPB-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149081787 782729505 /nfs/dbraw/zinc/72/95/05/782729505.db2.gz FJUWFYLZXLLSFX-STQMWFEESA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149082036 782729868 /nfs/dbraw/zinc/72/98/68/782729868.db2.gz JSGNPXTYNGPPQI-RYUDHWBXSA-N 1 1 312.370 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149082036 782729873 /nfs/dbraw/zinc/72/98/73/782729873.db2.gz JSGNPXTYNGPPQI-RYUDHWBXSA-N 1 1 312.370 -1.782 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnn(CCF)c2)C1 ZINC001118872853 782737400 /nfs/dbraw/zinc/73/74/00/782737400.db2.gz SUDRHSDLTAVNDS-CYBMUJFWSA-N 1 1 313.333 -1.026 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnn(CCF)c2)C1 ZINC001118872854 782737446 /nfs/dbraw/zinc/73/74/46/782737446.db2.gz SUDRHSDLTAVNDS-ZDUSSCGKSA-N 1 1 313.333 -1.026 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001118907229 782739438 /nfs/dbraw/zinc/73/94/38/782739438.db2.gz LULHIQLCYWQMOX-SNVBAGLBSA-N 1 1 318.399 -1.201 20 0 DAADMO C[C@@H]1NC(=O)N(CC[NH+]2CCC(NS(N)(=O)=O)CC2)C1=O ZINC001118904425 782739622 /nfs/dbraw/zinc/73/96/22/782739622.db2.gz WOUWDLOVGFJCQF-QMMMGPOBSA-N 1 1 319.387 -1.816 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001118906245 782739659 /nfs/dbraw/zinc/73/96/59/782739659.db2.gz VTXFWASASAFOEA-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1=O ZINC001118921566 782740595 /nfs/dbraw/zinc/74/05/95/782740595.db2.gz XRSSOCNKRUZKDF-ZJUUUORDSA-N 1 1 324.337 -1.926 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001118921565 782741024 /nfs/dbraw/zinc/74/10/24/782741024.db2.gz XRSSOCNKRUZKDF-VHSXEESVSA-N 1 1 324.337 -1.926 20 0 DAADMO CCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)CCOC)C1=O ZINC001119071692 782745882 /nfs/dbraw/zinc/74/58/82/782745882.db2.gz VSTKDDSNGOYVNI-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@H]21 ZINC001119103765 782747130 /nfs/dbraw/zinc/74/71/30/782747130.db2.gz OFFPDWGVNQSGIR-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC001119126360 782748117 /nfs/dbraw/zinc/74/81/17/782748117.db2.gz REKNGLVOMZMSAP-IGQOVBAYSA-N 1 1 324.425 -1.280 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC001119197586 782749222 /nfs/dbraw/zinc/74/92/22/782749222.db2.gz GHCSQMNMKQZJEL-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084650 782750007 /nfs/dbraw/zinc/75/00/07/782750007.db2.gz YSFLEPKBLPJSTQ-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084650 782750012 /nfs/dbraw/zinc/75/00/12/782750012.db2.gz YSFLEPKBLPJSTQ-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nn1 ZINC001119380251 782752249 /nfs/dbraw/zinc/75/22/49/782752249.db2.gz UHKURTPSKFZLRC-MNOVXSKESA-N 1 1 322.369 -1.189 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001282365244 775120097 /nfs/dbraw/zinc/12/00/97/775120097.db2.gz CPQSKLBYEITJAY-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001282365246 775120586 /nfs/dbraw/zinc/12/05/86/775120586.db2.gz CPQSKLBYEITJAY-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO C[N@H+](CCNC(=O)CC1OCCCO1)[C@H]1CCC(=O)NC1=O ZINC001266269998 775121173 /nfs/dbraw/zinc/12/11/73/775121173.db2.gz IEZOMLXLALYWPS-JTQLQIEISA-N 1 1 313.354 -1.007 20 0 DAADMO C[N@@H+](CCNC(=O)CC1OCCCO1)[C@H]1CCC(=O)NC1=O ZINC001266269998 775121177 /nfs/dbraw/zinc/12/11/77/775121177.db2.gz IEZOMLXLALYWPS-JTQLQIEISA-N 1 1 313.354 -1.007 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)Cc2c[nH]cn2)CC1 ZINC001266273009 775121219 /nfs/dbraw/zinc/12/12/19/775121219.db2.gz DLRWHAAYPKDYGE-UHFFFAOYSA-N 1 1 322.413 -1.178 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266277263 775121293 /nfs/dbraw/zinc/12/12/93/775121293.db2.gz UMJUOGQFDGGNBS-VHSXEESVSA-N 1 1 312.370 -1.246 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266277263 775121295 /nfs/dbraw/zinc/12/12/95/775121295.db2.gz UMJUOGQFDGGNBS-VHSXEESVSA-N 1 1 312.370 -1.246 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)Cc2c[nH]cn2)CC1 ZINC001266274036 775121639 /nfs/dbraw/zinc/12/16/39/775121639.db2.gz XJXRCXVDJHPDFY-UHFFFAOYSA-N 1 1 308.386 -1.439 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)CCN1C(=O)CNC1=O ZINC001266277344 775122063 /nfs/dbraw/zinc/12/20/63/775122063.db2.gz WZPRIZARYQUCPN-HZMBPMFUSA-N 1 1 310.354 -1.377 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)CCN1CCNC1=O ZINC001266285428 775122895 /nfs/dbraw/zinc/12/28/95/775122895.db2.gz YDKQGWHPKNGRPJ-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344201 775123102 /nfs/dbraw/zinc/12/31/02/775123102.db2.gz GWASQPQZCUIFEE-QJPTWQEYSA-N 1 1 314.386 -1.090 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001266288616 775123386 /nfs/dbraw/zinc/12/33/86/775123386.db2.gz KIDMUEKKKQVBAU-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CC[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001266288616 775123393 /nfs/dbraw/zinc/12/33/93/775123393.db2.gz KIDMUEKKKQVBAU-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114947339 775126356 /nfs/dbraw/zinc/12/63/56/775126356.db2.gz HOWMVHZSDWNYBI-DEKYYXRVSA-N 1 1 308.382 -1.258 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114947338 775126367 /nfs/dbraw/zinc/12/63/67/775126367.db2.gz HOWMVHZSDWNYBI-BBGACYKPSA-N 1 1 308.382 -1.258 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266310264 775127534 /nfs/dbraw/zinc/12/75/34/775127534.db2.gz FQJXYTJGNMJHFI-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001266310264 775127543 /nfs/dbraw/zinc/12/75/43/775127543.db2.gz FQJXYTJGNMJHFI-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266315383 775128464 /nfs/dbraw/zinc/12/84/64/775128464.db2.gz VDRPJCQPKUUKRB-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266315383 775128472 /nfs/dbraw/zinc/12/84/72/775128472.db2.gz VDRPJCQPKUUKRB-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO COC[C@H](OC)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266324084 775130973 /nfs/dbraw/zinc/13/09/73/775130973.db2.gz VDFRZBWTBVNBCN-UWVGGRQHSA-N 1 1 301.343 -1.499 20 0 DAADMO COC[C@H](OC)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266324084 775130979 /nfs/dbraw/zinc/13/09/79/775130979.db2.gz VDFRZBWTBVNBCN-UWVGGRQHSA-N 1 1 301.343 -1.499 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)n1 ZINC001266326876 775131468 /nfs/dbraw/zinc/13/14/68/775131468.db2.gz OTDAXEFMXRMSJC-LLVKDONJSA-N 1 1 322.369 -1.399 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)n1 ZINC001266326876 775131471 /nfs/dbraw/zinc/13/14/71/775131471.db2.gz OTDAXEFMXRMSJC-LLVKDONJSA-N 1 1 322.369 -1.399 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001266327864 775131615 /nfs/dbraw/zinc/13/16/15/775131615.db2.gz NJMVHNDITAKADX-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266349406 775132978 /nfs/dbraw/zinc/13/29/78/775132978.db2.gz FWJKVPBRYJZUMP-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266349406 775132982 /nfs/dbraw/zinc/13/29/82/775132982.db2.gz FWJKVPBRYJZUMP-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114941783 775133063 /nfs/dbraw/zinc/13/30/63/775133063.db2.gz GEGGMPFBECQDON-MBTKJCJQSA-N 1 1 318.399 -2.154 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114941783 775133065 /nfs/dbraw/zinc/13/30/65/775133065.db2.gz GEGGMPFBECQDON-MBTKJCJQSA-N 1 1 318.399 -2.154 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346800 775133135 /nfs/dbraw/zinc/13/31/35/775133135.db2.gz HHHYKTPZBGYTBX-UWVGGRQHSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346800 775133137 /nfs/dbraw/zinc/13/31/37/775133137.db2.gz HHHYKTPZBGYTBX-UWVGGRQHSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346802 775133401 /nfs/dbraw/zinc/13/34/01/775133401.db2.gz HHHYKTPZBGYTBX-ZJUUUORDSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346802 775133408 /nfs/dbraw/zinc/13/34/08/775133408.db2.gz HHHYKTPZBGYTBX-ZJUUUORDSA-N 1 1 322.365 -1.492 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001266347458 775133981 /nfs/dbraw/zinc/13/39/81/775133981.db2.gz OXBZRRNELTVXPF-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC(N)=O)CC1 ZINC001266367883 775135227 /nfs/dbraw/zinc/13/52/27/775135227.db2.gz ABACCGRZEIQABR-JTQLQIEISA-N 1 1 317.411 -1.123 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001266359443 775135690 /nfs/dbraw/zinc/13/56/90/775135690.db2.gz VPDBQOHJONEIJS-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@@H]1CCCNC1=O ZINC001266356999 775135716 /nfs/dbraw/zinc/13/57/16/775135716.db2.gz JQLXWGDFNKWCLE-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@@H]1CCCNC1=O ZINC001266356999 775135724 /nfs/dbraw/zinc/13/57/24/775135724.db2.gz JQLXWGDFNKWCLE-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC001266386296 775137484 /nfs/dbraw/zinc/13/74/84/775137484.db2.gz ZFYDRHORLBBBMM-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CC(=O)NCC[N@@H+](CC)[C@@H](C)C(=O)NC(N)=O ZINC001266386296 775137489 /nfs/dbraw/zinc/13/74/89/775137489.db2.gz ZFYDRHORLBBBMM-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)[C@@H]1CCC(=O)NC1=O ZINC001266396302 775138156 /nfs/dbraw/zinc/13/81/56/775138156.db2.gz DMKLWDXFQNHSFX-GHMZBOCLSA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)C[C@H](O)COC ZINC001266396942 775138961 /nfs/dbraw/zinc/13/89/61/775138961.db2.gz ORMQQKWCCLSHMH-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)CC1 ZINC001266433411 775140946 /nfs/dbraw/zinc/14/09/46/775140946.db2.gz CMEYRKXNQDDKNZ-SNVBAGLBSA-N 1 1 321.385 -1.279 20 0 DAADMO CC[N@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1ccnn1C ZINC001266434620 775142205 /nfs/dbraw/zinc/14/22/05/775142205.db2.gz HSZNZTBESPWCLS-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1ccnn1C ZINC001266434620 775142210 /nfs/dbraw/zinc/14/22/10/775142210.db2.gz HSZNZTBESPWCLS-UHFFFAOYSA-N 1 1 322.369 -1.090 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001266437371 775142396 /nfs/dbraw/zinc/14/23/96/775142396.db2.gz XWPYGYKJQRFKED-LLVKDONJSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C(=O)NCC1CC1)C1CC1 ZINC001266437372 775143058 /nfs/dbraw/zinc/14/30/58/775143058.db2.gz XWPYGYKJQRFKED-NSHDSACASA-N 1 1 321.385 -1.279 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266444208 775143217 /nfs/dbraw/zinc/14/32/17/775143217.db2.gz YHPCRROQJBJQCA-ZJUUUORDSA-N 1 1 312.370 -1.259 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001266454516 775144626 /nfs/dbraw/zinc/14/46/26/775144626.db2.gz XTMUFWPMWNMDBK-NWDGAFQWSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492798 775145699 /nfs/dbraw/zinc/14/56/99/775145699.db2.gz WYMCUSLNJLLNDP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492798 775145715 /nfs/dbraw/zinc/14/57/15/775145715.db2.gz WYMCUSLNJLLNDP-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001266509278 775146582 /nfs/dbraw/zinc/14/65/82/775146582.db2.gz NJQJEJBEXRHXJG-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492797 775146743 /nfs/dbraw/zinc/14/67/43/775146743.db2.gz WYMCUSLNJLLNDP-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001266492797 775146745 /nfs/dbraw/zinc/14/67/45/775146745.db2.gz WYMCUSLNJLLNDP-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001266528033 775149714 /nfs/dbraw/zinc/14/97/14/775149714.db2.gz IFRWNJJFDHXKEX-WDEREUQCSA-N 1 1 308.382 -1.031 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001098538169 775149821 /nfs/dbraw/zinc/14/98/21/775149821.db2.gz JNNRMWVSMXEXQU-YPMHNXCESA-N 1 1 313.398 -1.069 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)CC[NH+]2CCOCC2)cn1 ZINC001282903384 775154744 /nfs/dbraw/zinc/15/47/44/775154744.db2.gz KOTBLCBYFYRNGT-UHFFFAOYSA-N 1 1 309.370 -1.012 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001125409869 775155246 /nfs/dbraw/zinc/15/52/46/775155246.db2.gz WDCDKAHUSKFRCG-NSHDSACASA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCc2nc[nH]n2)CCO1 ZINC001125414265 775155589 /nfs/dbraw/zinc/15/55/89/775155589.db2.gz HRFFOBUBHUCEOL-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO O=C(Cc1cnc[nH]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001167350061 775156746 /nfs/dbraw/zinc/15/67/46/775156746.db2.gz PLAVARCYYVMRDQ-UHFFFAOYSA-N 1 1 308.342 -1.400 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001125419919 775156808 /nfs/dbraw/zinc/15/68/08/775156808.db2.gz VICPEYQCYHNTQX-UHFFFAOYSA-N 1 1 308.342 -1.408 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349553 775157395 /nfs/dbraw/zinc/15/73/95/775157395.db2.gz AUHLBXSXEZVWCI-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167349552 775157463 /nfs/dbraw/zinc/15/74/63/775157463.db2.gz AUHLBXSXEZVWCI-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1CCNC1=O)C1CC1)N1CCC1 ZINC001266604420 775160064 /nfs/dbraw/zinc/16/00/64/775160064.db2.gz DKHLQOMHAQJIOZ-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1CCNC1=O)C1CC1)N1CCC1 ZINC001266604420 775160074 /nfs/dbraw/zinc/16/00/74/775160074.db2.gz DKHLQOMHAQJIOZ-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114943064 775161199 /nfs/dbraw/zinc/16/11/99/775161199.db2.gz QYSDZZSFYLGRPI-URLYPYJESA-N 1 1 319.427 -1.257 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001282949149 775162692 /nfs/dbraw/zinc/16/26/92/775162692.db2.gz OGODVYPEGCKMNG-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001266659224 775167049 /nfs/dbraw/zinc/16/70/49/775167049.db2.gz BFDOTRNPVWAGOP-SNVBAGLBSA-N 1 1 307.358 -1.165 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001266768013 775177593 /nfs/dbraw/zinc/17/75/93/775177593.db2.gz WFNWEIPXIBCFAA-NSHDSACASA-N 1 1 312.370 -1.251 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)c2ncn[nH]2)CC1 ZINC001167480592 775180356 /nfs/dbraw/zinc/18/03/56/775180356.db2.gz MNHFHWJSIQXGOK-UHFFFAOYSA-N 1 1 309.330 -1.511 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)c2nc[nH]n2)CC1 ZINC001167480592 775180361 /nfs/dbraw/zinc/18/03/61/775180361.db2.gz MNHFHWJSIQXGOK-UHFFFAOYSA-N 1 1 309.330 -1.511 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836530 775180994 /nfs/dbraw/zinc/18/09/94/775180994.db2.gz VEEJMRGUMSWUMR-ZJUUUORDSA-N 1 1 307.358 -1.323 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001098555770 775181404 /nfs/dbraw/zinc/18/14/04/775181404.db2.gz PLTVFUMUMZOXOY-GFCCVEGCSA-N 1 1 311.386 -1.056 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111586492 775182379 /nfs/dbraw/zinc/18/23/79/775182379.db2.gz YTEMCJFCHYBLCK-PGUXBMHVSA-N 1 1 323.397 -1.096 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125547025 775184036 /nfs/dbraw/zinc/18/40/36/775184036.db2.gz RRNSKCZRPVYLMP-CYBMUJFWSA-N 1 1 314.386 -1.010 20 0 DAADMO O=C(Cn1cncn1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098556262 775184415 /nfs/dbraw/zinc/18/44/15/775184415.db2.gz PHCNSPVWYYKMOK-UHFFFAOYSA-N 1 1 311.386 -1.054 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001266968819 775190992 /nfs/dbraw/zinc/19/09/92/775190992.db2.gz ZCQNJCKPRBTFHH-SSDOTTSWSA-N 1 1 303.340 -1.237 20 0 DAADMO CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266979921 775191100 /nfs/dbraw/zinc/19/11/00/775191100.db2.gz LSWSFRLIIJWGKR-LLVKDONJSA-N 1 1 310.402 -1.002 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266976474 775191458 /nfs/dbraw/zinc/19/14/58/775191458.db2.gz ZUDKUSSLFLJRKU-JTQLQIEISA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC001266991876 775192969 /nfs/dbraw/zinc/19/29/69/775192969.db2.gz UKJLIHXASWLVBU-QMMMGPOBSA-N 1 1 323.357 -1.399 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+]Cc1nccn1C ZINC001266991736 775192995 /nfs/dbraw/zinc/19/29/95/775192995.db2.gz QUXZOVVPPDTREG-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001266998832 775193049 /nfs/dbraw/zinc/19/30/49/775193049.db2.gz PIPMCRDENVXQTF-HTQZYQBOSA-N 1 1 309.330 -2.143 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001266998748 775193290 /nfs/dbraw/zinc/19/32/90/775193290.db2.gz OKAXEIBZYXFNLC-VHSXEESVSA-N 1 1 311.390 -1.048 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125561599 775195128 /nfs/dbraw/zinc/19/51/28/775195128.db2.gz IBOTUZGGPJGGQI-SECBINFHSA-N 1 1 310.358 -1.189 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)c1nccnc1C(N)=O ZINC001267051799 775198976 /nfs/dbraw/zinc/19/89/76/775198976.db2.gz VKEAJSWZKFVGMI-UHFFFAOYSA-N 1 1 318.341 -1.434 20 0 DAADMO Cc1conc1C[NH2+]CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001267117083 775206113 /nfs/dbraw/zinc/20/61/13/775206113.db2.gz MPVIAZXFRVPPOF-UHFFFAOYSA-N 1 1 321.341 -1.078 20 0 DAADMO C[C@H](CCNC(=O)c1cnn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001267133910 775206948 /nfs/dbraw/zinc/20/69/48/775206948.db2.gz NUBLHMZHVBMRMM-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCNC(=O)C1 ZINC001125616006 775208443 /nfs/dbraw/zinc/20/84/43/775208443.db2.gz XYSPNNGLLZGRNO-SECBINFHSA-N 1 1 307.358 -1.260 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)o1 ZINC001267195056 775210084 /nfs/dbraw/zinc/21/00/84/775210084.db2.gz MHSJOSRKBHVTPG-SECBINFHSA-N 1 1 309.326 -1.226 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)o1 ZINC001267195056 775210092 /nfs/dbraw/zinc/21/00/92/775210092.db2.gz MHSJOSRKBHVTPG-SECBINFHSA-N 1 1 309.326 -1.226 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001267194311 775210984 /nfs/dbraw/zinc/21/09/84/775210984.db2.gz NEYVEULNUGJGEY-SECBINFHSA-N 1 1 308.342 -1.491 20 0 DAADMO Cc1ncc(C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)[nH]1 ZINC001267188060 775211219 /nfs/dbraw/zinc/21/12/19/775211219.db2.gz CUXSVIAMEFMZJR-UHFFFAOYSA-N 1 1 308.342 -1.068 20 0 DAADMO C[N@H+](CCNC(=O)C[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267199354 775211916 /nfs/dbraw/zinc/21/19/16/775211916.db2.gz MBNNOWGGUSXURL-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267199354 775211919 /nfs/dbraw/zinc/21/19/19/775211919.db2.gz MBNNOWGGUSXURL-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267200916 775212494 /nfs/dbraw/zinc/21/24/94/775212494.db2.gz SUJJFEKGTYTNRS-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267200916 775212505 /nfs/dbraw/zinc/21/25/05/775212505.db2.gz SUJJFEKGTYTNRS-VHSXEESVSA-N 1 1 310.354 -1.634 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198804 775212674 /nfs/dbraw/zinc/21/26/74/775212674.db2.gz BWIGKOJQYXXJLG-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198804 775212684 /nfs/dbraw/zinc/21/26/84/775212684.db2.gz BWIGKOJQYXXJLG-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198955 775213449 /nfs/dbraw/zinc/21/34/49/775213449.db2.gz DTCBTMVSQJWHMI-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198955 775213453 /nfs/dbraw/zinc/21/34/53/775213453.db2.gz DTCBTMVSQJWHMI-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CCC(=O)NC1=O ZINC001267217810 775214413 /nfs/dbraw/zinc/21/44/13/775214413.db2.gz QEAVGNGYDYEGCE-JTQLQIEISA-N 1 1 321.337 -1.420 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)[C@H]1CCC(=O)NC1=O ZINC001267217810 775214421 /nfs/dbraw/zinc/21/44/21/775214421.db2.gz QEAVGNGYDYEGCE-JTQLQIEISA-N 1 1 321.337 -1.420 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)C1(C(N)=O)CC1)S(C)(=O)=O ZINC001267214487 775214448 /nfs/dbraw/zinc/21/44/48/775214448.db2.gz ZTMDMDCEAYWYJS-UHFFFAOYSA-N 1 1 320.415 -1.809 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1)S(C)(=O)=O ZINC001267214487 775214457 /nfs/dbraw/zinc/21/44/57/775214457.db2.gz ZTMDMDCEAYWYJS-UHFFFAOYSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)C1(C(N)=O)CC1)CS(C)(=O)=O ZINC001267214335 775214748 /nfs/dbraw/zinc/21/47/48/775214748.db2.gz UDDPEZWCSZBZJO-SNVBAGLBSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1)CS(C)(=O)=O ZINC001267214335 775214749 /nfs/dbraw/zinc/21/47/49/775214749.db2.gz UDDPEZWCSZBZJO-SNVBAGLBSA-N 1 1 319.427 -1.019 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCNC1=O)C[C@H](O)Cn1cccn1 ZINC001267217747 775215029 /nfs/dbraw/zinc/21/50/29/775215029.db2.gz OLSLGCINEHAXEH-SWLSCSKDSA-N 1 1 323.397 -1.182 20 0 DAADMO COc1cncc(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)n1 ZINC001267220287 775216102 /nfs/dbraw/zinc/21/61/02/775216102.db2.gz OBVNWQGFBGDQMZ-JTQLQIEISA-N 1 1 321.337 -1.048 20 0 DAADMO COc1cncc(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)n1 ZINC001267220287 775216107 /nfs/dbraw/zinc/21/61/07/775216107.db2.gz OBVNWQGFBGDQMZ-JTQLQIEISA-N 1 1 321.337 -1.048 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)CCn1cccn1 ZINC001267242944 775218514 /nfs/dbraw/zinc/21/85/14/775218514.db2.gz DDHSODMKUZFUBJ-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263491 775219688 /nfs/dbraw/zinc/21/96/88/775219688.db2.gz JYXCOLAIMNDTMP-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001267279978 775221530 /nfs/dbraw/zinc/22/15/30/775221530.db2.gz PGXHAQZQCSANKX-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001267279978 775221546 /nfs/dbraw/zinc/22/15/46/775221546.db2.gz PGXHAQZQCSANKX-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267294378 775223657 /nfs/dbraw/zinc/22/36/57/775223657.db2.gz HFOUSKVRKJGKCL-STQMWFEESA-N 1 1 313.398 -1.040 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267294376 775224271 /nfs/dbraw/zinc/22/42/71/775224271.db2.gz HFOUSKVRKJGKCL-OLZOCXBDSA-N 1 1 313.398 -1.040 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001267291784 775224455 /nfs/dbraw/zinc/22/44/55/775224455.db2.gz MFVODPYZXBPFNS-ZDUSSCGKSA-N 1 1 313.398 -1.088 20 0 DAADMO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001267302109 775227064 /nfs/dbraw/zinc/22/70/64/775227064.db2.gz LZLLVVBQLPIVMC-JTQLQIEISA-N 1 1 317.411 -1.265 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001267339011 775228230 /nfs/dbraw/zinc/22/82/30/775228230.db2.gz VYTPTZIRALVBBM-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001267339011 775228237 /nfs/dbraw/zinc/22/82/37/775228237.db2.gz VYTPTZIRALVBBM-SNVBAGLBSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001267326567 775228805 /nfs/dbraw/zinc/22/88/05/775228805.db2.gz SFKYQNBIJINERJ-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001267326567 775228809 /nfs/dbraw/zinc/22/88/09/775228809.db2.gz SFKYQNBIJINERJ-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001267327345 775229174 /nfs/dbraw/zinc/22/91/74/775229174.db2.gz KDWRRVJRXQPGFD-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001267327345 775229184 /nfs/dbraw/zinc/22/91/84/775229184.db2.gz KDWRRVJRXQPGFD-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO CC(=O)NCc1nc(C[NH2+][C@@H]2CCC(=O)NC2=O)cc(=O)[nH]1 ZINC001087253550 775233359 /nfs/dbraw/zinc/23/33/59/775233359.db2.gz RWZPGJKYYUKTRZ-SECBINFHSA-N 1 1 307.310 -1.287 20 0 DAADMO CC[C@]1(C(=O)N(C)CC[NH2+]Cc2nnnn2C)CCNC1=O ZINC001267386980 775234243 /nfs/dbraw/zinc/23/42/43/775234243.db2.gz YYGKHKLRMOARFZ-ZDUSSCGKSA-N 1 1 309.374 -1.326 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)Cn1cc(C2CC2)nn1 ZINC001267383858 775234452 /nfs/dbraw/zinc/23/44/52/775234452.db2.gz BMGNVNMSSSFVKI-UHFFFAOYSA-N 1 1 319.373 -1.073 20 0 DAADMO CN(CC[NH2+]Cc1nc2ccccc2c(=O)n1C)C(=O)C(N)=O ZINC001267422014 775238981 /nfs/dbraw/zinc/23/89/81/775238981.db2.gz ZFTABBSCCRARQR-UHFFFAOYSA-N 1 1 317.349 -1.033 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267426827 775239307 /nfs/dbraw/zinc/23/93/07/775239307.db2.gz BLGWNDRMNBORAQ-WDEREUQCSA-N 1 1 310.358 -1.604 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1CCF)C(=O)[C@@H]1CNC(=O)N1 ZINC001267421404 775239545 /nfs/dbraw/zinc/23/95/45/775239545.db2.gz ZRTLKHUZWOUVOX-VIFPVBQESA-N 1 1 313.337 -1.523 20 0 DAADMO Cc1nonc1C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267434290 775241200 /nfs/dbraw/zinc/24/12/00/775241200.db2.gz JDDMYCPXFLRYTM-QMMMGPOBSA-N 1 1 310.314 -1.476 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2cnnn2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087270818 775242467 /nfs/dbraw/zinc/24/24/67/775242467.db2.gz HEDCRAJYYNPWMV-ZWKOPEQDSA-N 1 1 321.385 -1.236 20 0 DAADMO CCCn1nnnc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457627 775242563 /nfs/dbraw/zinc/24/25/63/775242563.db2.gz NJIGRROZFJFFKN-JTQLQIEISA-N 1 1 309.374 -1.090 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCNC(=O)C2)nn1 ZINC001279686748 775246590 /nfs/dbraw/zinc/24/65/90/775246590.db2.gz JLIJTGVLQCOHQG-NSHDSACASA-N 1 1 324.385 -1.748 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087286680 775247130 /nfs/dbraw/zinc/24/71/30/775247130.db2.gz VRPAQHWSYQOYOI-OASPWFOLSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)n1 ZINC001087299339 775248024 /nfs/dbraw/zinc/24/80/24/775248024.db2.gz UJRKCDCSRBAPRE-JMJZKYOTSA-N 1 1 321.385 -1.086 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)n1 ZINC001087299339 775248028 /nfs/dbraw/zinc/24/80/28/775248028.db2.gz UJRKCDCSRBAPRE-JMJZKYOTSA-N 1 1 321.385 -1.086 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1 ZINC001087335754 775249522 /nfs/dbraw/zinc/24/95/22/775249522.db2.gz PYXDJISHDWQROJ-CYDGBPFRSA-N 1 1 306.370 -1.166 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001279703796 775249541 /nfs/dbraw/zinc/24/95/41/775249541.db2.gz LWYIBFJWMSVITJ-JTQLQIEISA-N 1 1 308.338 -1.727 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001279703796 775249548 /nfs/dbraw/zinc/24/95/48/775249548.db2.gz LWYIBFJWMSVITJ-JTQLQIEISA-N 1 1 308.338 -1.727 20 0 DAADMO CC(=O)N(C)CC[NH+]1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001267570543 775250919 /nfs/dbraw/zinc/25/09/19/775250919.db2.gz BSSLWJINGDQKJG-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267566261 775251086 /nfs/dbraw/zinc/25/10/86/775251086.db2.gz CEMRNGDLHWZMQJ-SNVBAGLBSA-N 1 1 324.381 -1.387 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](CCNC(=O)C(N)=O)C1 ZINC001267571048 775251639 /nfs/dbraw/zinc/25/16/39/775251639.db2.gz VKDYEUPYPGCSSF-LBPRGKRZSA-N 1 1 314.386 -1.547 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001267613665 775257080 /nfs/dbraw/zinc/25/70/80/775257080.db2.gz PBLUBMMZYKNLMJ-LLVKDONJSA-N 1 1 302.375 -1.495 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCO)C2)n1 ZINC001087381359 775258562 /nfs/dbraw/zinc/25/85/62/775258562.db2.gz HJWDAZVLJRIHSZ-BJDJZHNGSA-N 1 1 306.370 -1.015 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC(N)=O)n1 ZINC001087380720 775258682 /nfs/dbraw/zinc/25/86/82/775258682.db2.gz YBFRNOMQBBZRJX-MMWGEVLESA-N 1 1 319.369 -1.522 20 0 DAADMO COCCOC[C@H](O)CN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267669340 775264882 /nfs/dbraw/zinc/26/48/82/775264882.db2.gz HHJUSYXOUYSTLZ-GXTWGEPZSA-N 1 1 315.414 -1.238 20 0 DAADMO O=C(CN1CCCC1=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267674835 775265895 /nfs/dbraw/zinc/26/58/95/775265895.db2.gz IMCWSPYZYTXRMC-NSHDSACASA-N 1 1 322.365 -1.538 20 0 DAADMO CC(C)(C)n1nnc(CC[NH+]2CC(CNC(=O)C(N)=O)C2)n1 ZINC001267691519 775266570 /nfs/dbraw/zinc/26/65/70/775266570.db2.gz PTSFIUSAKPEOFY-UHFFFAOYSA-N 1 1 309.374 -1.496 20 0 DAADMO O=C(Cc1cnoc1)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001267689700 775267322 /nfs/dbraw/zinc/26/73/22/775267322.db2.gz PBVVYKDRDRTDSF-UHFFFAOYSA-N 1 1 321.337 -1.183 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001267688535 775267455 /nfs/dbraw/zinc/26/74/55/775267455.db2.gz NKKWEALTYGJHNP-SSDOTTSWSA-N 1 1 306.313 -1.450 20 0 DAADMO NC(=O)CCCC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267700979 775268146 /nfs/dbraw/zinc/26/81/46/775268146.db2.gz LEZJIBZIWKSVGQ-JTQLQIEISA-N 1 1 310.354 -1.505 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267702762 775268869 /nfs/dbraw/zinc/26/88/69/775268869.db2.gz MTHFWKRPJVGMDH-RWMBFGLXSA-N 1 1 300.355 -1.304 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267702762 775268878 /nfs/dbraw/zinc/26/88/78/775268878.db2.gz MTHFWKRPJVGMDH-RWMBFGLXSA-N 1 1 300.355 -1.304 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001267702171 775268993 /nfs/dbraw/zinc/26/89/93/775268993.db2.gz DCBZAGYPGAYOEK-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCNC1=O ZINC001267712308 775269562 /nfs/dbraw/zinc/26/95/62/775269562.db2.gz OHOORBHZBLGZBG-ASHKBJFXSA-N 1 1 311.382 -1.195 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267722763 775271760 /nfs/dbraw/zinc/27/17/60/775271760.db2.gz LDOBRLORCLJUOS-WDEREUQCSA-N 1 1 313.354 -1.355 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267722763 775271764 /nfs/dbraw/zinc/27/17/64/775271764.db2.gz LDOBRLORCLJUOS-WDEREUQCSA-N 1 1 313.354 -1.355 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001267722848 775271931 /nfs/dbraw/zinc/27/19/31/775271931.db2.gz OWPKPCOZZKLGJF-CMPLNLGQSA-N 1 1 312.370 -1.254 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001267722848 775271938 /nfs/dbraw/zinc/27/19/38/775271938.db2.gz OWPKPCOZZKLGJF-CMPLNLGQSA-N 1 1 312.370 -1.254 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267735870 775272885 /nfs/dbraw/zinc/27/28/85/775272885.db2.gz KWJOTYJGMHZWQN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267735870 775272892 /nfs/dbraw/zinc/27/28/92/775272892.db2.gz KWJOTYJGMHZWQN-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001267731575 775274205 /nfs/dbraw/zinc/27/42/05/775274205.db2.gz JFDMUDUSLMSWGY-WDEREUQCSA-N 1 1 313.354 -1.763 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267767273 775277983 /nfs/dbraw/zinc/27/79/83/775277983.db2.gz DPZXJBCMPQDGCV-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267767273 775277990 /nfs/dbraw/zinc/27/79/90/775277990.db2.gz DPZXJBCMPQDGCV-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267767118 775278225 /nfs/dbraw/zinc/27/82/25/775278225.db2.gz DPZXJBCMPQDGCV-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267767118 775278230 /nfs/dbraw/zinc/27/82/30/775278230.db2.gz DPZXJBCMPQDGCV-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267771015 775281133 /nfs/dbraw/zinc/28/11/33/775281133.db2.gz XBUUTMVYAYCGII-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001267771015 775281138 /nfs/dbraw/zinc/28/11/38/775281138.db2.gz XBUUTMVYAYCGII-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ncnn1C ZINC001267829145 775284218 /nfs/dbraw/zinc/28/42/18/775284218.db2.gz NPVCMLLMAUMFGO-JTQLQIEISA-N 1 1 322.369 -1.052 20 0 DAADMO O=C(CN1CCOCC1)NCC[NH2+]Cc1ncnn1CCF ZINC001125903223 775284622 /nfs/dbraw/zinc/28/46/22/775284622.db2.gz QMLJQSVDGAIKNK-UHFFFAOYSA-N 1 1 314.365 -1.214 20 0 DAADMO O=C(CN1CCOCC1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125903945 775284994 /nfs/dbraw/zinc/28/49/94/775284994.db2.gz ZLBLYBZUPCTFSV-UHFFFAOYSA-N 1 1 324.385 -1.654 20 0 DAADMO COCC(=O)N1CC(n2cc(C[NH2+]C[C@H](O)COC)nn2)C1 ZINC001105120133 775285903 /nfs/dbraw/zinc/28/59/03/775285903.db2.gz RYGPJYOPQMJEOU-LBPRGKRZSA-N 1 1 313.358 -1.595 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)n1C ZINC001279792319 775286576 /nfs/dbraw/zinc/28/65/76/775286576.db2.gz USMUVNAKKKPHQA-UHFFFAOYSA-N 1 1 323.357 -1.522 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105142108 775287798 /nfs/dbraw/zinc/28/77/98/775287798.db2.gz FYGBGMWMBSECQV-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO CC(=O)N1CC(n2cc(C[NH2+]CCN3C(=O)CCC3=O)nn2)C1 ZINC001105127964 775288015 /nfs/dbraw/zinc/28/80/15/775288015.db2.gz MDZDNKLSZFQAKP-UHFFFAOYSA-N 1 1 320.353 -1.080 20 0 DAADMO O=C(c1cnccn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105141906 775288654 /nfs/dbraw/zinc/28/86/54/775288654.db2.gz DCEPNGVFVYDXOP-UHFFFAOYSA-N 1 1 303.326 -1.153 20 0 DAADMO C[C@@H](C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)n1cncn1 ZINC001105216318 775292021 /nfs/dbraw/zinc/29/20/21/775292021.db2.gz RSJARVYQRXRBHS-JTQLQIEISA-N 1 1 320.357 -1.404 20 0 DAADMO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)OC)nn2)C1 ZINC001105221602 775292129 /nfs/dbraw/zinc/29/21/29/775292129.db2.gz QIZQUBKTOGVEOX-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO CNC(=O)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)COC)nn2)C1 ZINC001105221748 775292539 /nfs/dbraw/zinc/29/25/39/775292539.db2.gz STLDZVFAGFUVKY-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COC(=O)N3)C2)nn1 ZINC001105225129 775293401 /nfs/dbraw/zinc/29/34/01/775293401.db2.gz JWSPHENZZULHCL-NSHDSACASA-N 1 1 324.341 -1.494 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C(N)=O)C2)nn1 ZINC001105262081 775297061 /nfs/dbraw/zinc/29/70/61/775297061.db2.gz FMJKBUUNMOSNBT-UHFFFAOYSA-N 1 1 324.385 -1.091 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105266206 775300733 /nfs/dbraw/zinc/30/07/33/775300733.db2.gz PWHCHTWTPSQFOI-GFCCVEGCSA-N 1 1 322.369 -1.588 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105297376 775301907 /nfs/dbraw/zinc/30/19/07/775301907.db2.gz MUHPDEJNKFFFGB-NSHDSACASA-N 1 1 308.342 -2.121 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001105297470 775303262 /nfs/dbraw/zinc/30/32/62/775303262.db2.gz NYVLRJIWWPYHTJ-GFCCVEGCSA-N 1 1 322.369 -1.467 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)c1n[nH]cc1F ZINC001279819821 775304126 /nfs/dbraw/zinc/30/41/26/775304126.db2.gz CRWRVBFURHZJQE-UHFFFAOYSA-N 1 1 312.309 -1.703 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001267971098 775304401 /nfs/dbraw/zinc/30/44/01/775304401.db2.gz ZFWBEHGHTOZUJB-MNOVXSKESA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001267971098 775304412 /nfs/dbraw/zinc/30/44/12/775304412.db2.gz ZFWBEHGHTOZUJB-MNOVXSKESA-N 1 1 308.382 -1.018 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105305861 775305469 /nfs/dbraw/zinc/30/54/69/775305469.db2.gz RMDWYXPLXILGNH-LBPRGKRZSA-N 1 1 322.369 -1.636 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105314077 775305832 /nfs/dbraw/zinc/30/58/32/775305832.db2.gz MLIURZOOHQYNQD-UHFFFAOYSA-N 1 1 319.325 -1.860 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)C1=O ZINC001105310351 775305966 /nfs/dbraw/zinc/30/59/66/775305966.db2.gz YQFIGXRZZJEREX-LBPRGKRZSA-N 1 1 322.369 -1.778 20 0 DAADMO C[C@@]1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CCNC1=O ZINC001105325700 775307143 /nfs/dbraw/zinc/30/71/43/775307143.db2.gz XJLBHEFHRUZARW-CQSZACIVSA-N 1 1 322.369 -1.731 20 0 DAADMO Cc1ccn(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105330029 775309603 /nfs/dbraw/zinc/30/96/03/775309603.db2.gz LKRSLMZJKBAIMB-UHFFFAOYSA-N 1 1 319.369 -1.052 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001105328467 775309792 /nfs/dbraw/zinc/30/97/92/775309792.db2.gz GNFYISMWKHUHQN-NEPJUHHUSA-N 1 1 322.369 -1.481 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CCS(C)(=O)=O ZINC001268008186 775314089 /nfs/dbraw/zinc/31/40/89/775314089.db2.gz FQEDQMZEYDMEBB-SECBINFHSA-N 1 1 303.388 -1.266 20 0 DAADMO Cc1ccnn1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105335352 775314121 /nfs/dbraw/zinc/31/41/21/775314121.db2.gz XGBLHYKGVLWGQS-UHFFFAOYSA-N 1 1 319.369 -1.052 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126026448 775321736 /nfs/dbraw/zinc/32/17/36/775321736.db2.gz BESVZKOHYSDIBF-UHFFFAOYSA-N 1 1 323.361 -1.324 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126027013 775322857 /nfs/dbraw/zinc/32/28/57/775322857.db2.gz MBIGPBLVYPEIIA-UHFFFAOYSA-N 1 1 320.357 -1.104 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)CCO1 ZINC001268026087 775324331 /nfs/dbraw/zinc/32/43/31/775324331.db2.gz HAPLKVZXVHCLJL-VXGBXAGGSA-N 1 1 315.370 -1.516 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)CCO1 ZINC001268026087 775324342 /nfs/dbraw/zinc/32/43/42/775324342.db2.gz HAPLKVZXVHCLJL-VXGBXAGGSA-N 1 1 315.370 -1.516 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114945931 775324822 /nfs/dbraw/zinc/32/48/22/775324822.db2.gz XYPOXVLQNUPAFB-PUXPGTEJSA-N 1 1 322.365 -1.684 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114945928 775325322 /nfs/dbraw/zinc/32/53/22/775325322.db2.gz XYPOXVLQNUPAFB-AEISUSGSSA-N 1 1 322.365 -1.684 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001268028271 775327083 /nfs/dbraw/zinc/32/70/83/775327083.db2.gz BMCNQIYCBSFBQJ-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001268028271 775327092 /nfs/dbraw/zinc/32/70/92/775327092.db2.gz BMCNQIYCBSFBQJ-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136418 775328125 /nfs/dbraw/zinc/32/81/25/775328125.db2.gz HMRWPEYZFPRODT-NXEZZACHSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136418 775328137 /nfs/dbraw/zinc/32/81/37/775328137.db2.gz HMRWPEYZFPRODT-NXEZZACHSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136420 775328251 /nfs/dbraw/zinc/32/82/51/775328251.db2.gz HMRWPEYZFPRODT-VHSXEESVSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136420 775328260 /nfs/dbraw/zinc/32/82/60/775328260.db2.gz HMRWPEYZFPRODT-VHSXEESVSA-N 1 1 315.374 -1.874 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114980293 775331328 /nfs/dbraw/zinc/33/13/28/775331328.db2.gz ORKBRGLFUMMVIV-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001105340894 775333662 /nfs/dbraw/zinc/33/36/62/775333662.db2.gz VJBLBCQWFWCSNX-UHFFFAOYSA-N 1 1 320.357 -1.160 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105342795 775336143 /nfs/dbraw/zinc/33/61/43/775336143.db2.gz WZNJTJWHEFIEKI-JTQLQIEISA-N 1 1 322.369 -1.588 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001098631284 775338933 /nfs/dbraw/zinc/33/89/33/775338933.db2.gz TZHRFZOAMMVMEY-NXEZZACHSA-N 1 1 312.370 -1.573 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001268096295 775344842 /nfs/dbraw/zinc/34/48/42/775344842.db2.gz PLMJUFHCAWMRBH-VIFPVBQESA-N 1 1 323.357 -1.697 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268102381 775347060 /nfs/dbraw/zinc/34/70/60/775347060.db2.gz TUNGZLKMSWJCDT-NXEZZACHSA-N 1 1 322.369 -1.196 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001268158505 775348686 /nfs/dbraw/zinc/34/86/86/775348686.db2.gz QSHXPHAFLAFVII-NWDGAFQWSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001268158505 775348697 /nfs/dbraw/zinc/34/86/97/775348697.db2.gz QSHXPHAFLAFVII-NWDGAFQWSA-N 1 1 324.381 -1.150 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001268247368 775355469 /nfs/dbraw/zinc/35/54/69/775355469.db2.gz QKLDHOALNZOBMA-UHFFFAOYSA-N 1 1 311.386 -1.333 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268256643 775355508 /nfs/dbraw/zinc/35/55/08/775355508.db2.gz IOMDCJPBMWVLII-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C)C(=O)C(N)=O ZINC001268247153 775355676 /nfs/dbraw/zinc/35/56/76/775355676.db2.gz NBMZPJDOMMRVKO-UHFFFAOYSA-N 1 1 311.342 -2.541 20 0 DAADMO CN(CC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C)C(=O)C(N)=O ZINC001268247153 775355687 /nfs/dbraw/zinc/35/56/87/775355687.db2.gz NBMZPJDOMMRVKO-UHFFFAOYSA-N 1 1 311.342 -2.541 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001268240647 775355969 /nfs/dbraw/zinc/35/59/69/775355969.db2.gz BUFAYVZMDYEFBR-UHFFFAOYSA-N 1 1 315.374 -1.656 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001268240647 775355982 /nfs/dbraw/zinc/35/59/82/775355982.db2.gz BUFAYVZMDYEFBR-UHFFFAOYSA-N 1 1 315.374 -1.656 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cc[n+]([O-])cc2)nn1 ZINC001268294341 775357783 /nfs/dbraw/zinc/35/77/83/775357783.db2.gz GRAWEMFBOQOZTM-GFCCVEGCSA-N 1 1 306.326 -1.671 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@H]1CCCNC1=O ZINC001268311902 775365417 /nfs/dbraw/zinc/36/54/17/775365417.db2.gz QTQTZJKMSCZDTA-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001268311187 775365477 /nfs/dbraw/zinc/36/54/77/775365477.db2.gz GTCMAWHKKLDZSA-VIFPVBQESA-N 1 1 312.374 -1.624 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)c1ccn2nnnc2c1 ZINC001268315980 775366156 /nfs/dbraw/zinc/36/61/56/775366156.db2.gz GJHIPAGTZUCLKI-LLVKDONJSA-N 1 1 317.309 -1.007 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F ZINC001268314501 775367082 /nfs/dbraw/zinc/36/70/82/775367082.db2.gz JNNKXFLLDQDWDD-ZETCQYMHSA-N 1 1 321.284 -1.674 20 0 DAADMO Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C2=NC(=O)N(C)C2)cn1 ZINC001268323973 775370232 /nfs/dbraw/zinc/37/02/32/775370232.db2.gz QCCBLXLEJMSFGK-NSHDSACASA-N 1 1 322.369 -1.218 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001268324254 775370960 /nfs/dbraw/zinc/37/09/60/775370960.db2.gz RGVBGQIBFOBXHH-BXUZGUMPSA-N 1 1 324.385 -1.609 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)CC1 ZINC001268327399 775372212 /nfs/dbraw/zinc/37/22/12/775372212.db2.gz ISMAPGNRRYYTBC-SECBINFHSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1cc(=O)n(C)cn1 ZINC001268373498 775381214 /nfs/dbraw/zinc/38/12/14/775381214.db2.gz LVJQXOUNJAWJBD-VIFPVBQESA-N 1 1 320.357 -1.398 20 0 DAADMO CCN(CC[NH2+]Cc1cnn(CC)n1)C(=O)Cn1ncnn1 ZINC001268449384 775383478 /nfs/dbraw/zinc/38/34/78/775383478.db2.gz BJXRAKHRQYBPKY-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO COCCC[NH+]1CC(NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001268456722 775386388 /nfs/dbraw/zinc/38/63/88/775386388.db2.gz RTFDOICIGXSWTQ-UHFFFAOYSA-N 1 1 312.326 -1.756 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211749778 775388240 /nfs/dbraw/zinc/38/82/40/775388240.db2.gz ASGPJZYITNBWJY-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138037 775390038 /nfs/dbraw/zinc/39/00/38/775390038.db2.gz STPPWSSJAOZICR-DTWKUNHWSA-N 1 1 301.347 -2.264 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138037 775390045 /nfs/dbraw/zinc/39/00/45/775390045.db2.gz STPPWSSJAOZICR-DTWKUNHWSA-N 1 1 301.347 -2.264 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138036 775390713 /nfs/dbraw/zinc/39/07/13/775390713.db2.gz STPPWSSJAOZICR-BDAKNGLRSA-N 1 1 301.347 -2.264 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138036 775390724 /nfs/dbraw/zinc/39/07/24/775390724.db2.gz STPPWSSJAOZICR-BDAKNGLRSA-N 1 1 301.347 -2.264 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001268501273 775390922 /nfs/dbraw/zinc/39/09/22/775390922.db2.gz BQXLBFQSJXHWKX-JTQLQIEISA-N 1 1 324.389 -1.309 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1=COCCO1 ZINC001211795148 775392562 /nfs/dbraw/zinc/39/25/62/775392562.db2.gz ADLSRMBETWECQF-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C1=COCCO1 ZINC001211795148 775392570 /nfs/dbraw/zinc/39/25/70/775392570.db2.gz ADLSRMBETWECQF-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001211798167 775393265 /nfs/dbraw/zinc/39/32/65/775393265.db2.gz YCVWWYKXAWJQMR-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001211798167 775393271 /nfs/dbraw/zinc/39/32/71/775393271.db2.gz YCVWWYKXAWJQMR-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814192 775396407 /nfs/dbraw/zinc/39/64/07/775396407.db2.gz WFSNCZOURZZRMF-RAIGVLPGSA-N 1 1 324.385 -1.382 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814192 775396417 /nfs/dbraw/zinc/39/64/17/775396417.db2.gz WFSNCZOURZZRMF-RAIGVLPGSA-N 1 1 324.385 -1.382 20 0 DAADMO CN1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001268545448 775396827 /nfs/dbraw/zinc/39/68/27/775396827.db2.gz NVKJRNMTUJHNGC-FSIBCCDJSA-N 1 1 322.369 -1.651 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CNC(N)=O ZINC001211833714 775403995 /nfs/dbraw/zinc/40/39/95/775403995.db2.gz JWXCIAYFHBWDSS-NXEZZACHSA-N 1 1 304.347 -2.521 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CC=CCNC(=O)C1=NC(=O)N(C)C1 ZINC001268587128 775404058 /nfs/dbraw/zinc/40/40/58/775404058.db2.gz HFHMWDZFEGCXRG-ARJAWSKDSA-N 1 1 324.341 -1.543 20 0 DAADMO CN1CC(C(=O)NCC=CC[NH2+][C@@H]2CCC(=O)NC2=O)=NC1=O ZINC001268588808 775404694 /nfs/dbraw/zinc/40/46/94/775404694.db2.gz VWYZNNQPRSMUAY-GKQMSVHHSA-N 1 1 321.337 -1.194 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098682811 775406538 /nfs/dbraw/zinc/40/65/38/775406538.db2.gz HIDSNVYFZHXWAM-LLVKDONJSA-N 1 1 324.385 -1.355 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)C1 ZINC001105372457 775406812 /nfs/dbraw/zinc/40/68/12/775406812.db2.gz HZQKLPOALIKKDI-JTQLQIEISA-N 1 1 321.385 -1.812 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211836234 775407304 /nfs/dbraw/zinc/40/73/04/775407304.db2.gz WIDCJYPNYBXFTA-HBNTYKKESA-N 1 1 300.359 -1.493 20 0 DAADMO O=C(Cc1nnc[nH]1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268613769 775408413 /nfs/dbraw/zinc/40/84/13/775408413.db2.gz ICEGXVZJCFSNII-IYABHPQVSA-N 1 1 306.326 -1.586 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC/C=C\C[NH2+]Cc1cnns1 ZINC001268623805 775410826 /nfs/dbraw/zinc/41/08/26/775410826.db2.gz RKEOIJIANDIQSX-UPHRSURJSA-N 1 1 324.366 -1.148 20 0 DAADMO Cn1nccc1CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126393471 775411892 /nfs/dbraw/zinc/41/18/92/775411892.db2.gz VEKVMBMUHMVDBY-UHFFFAOYSA-N 1 1 319.369 -1.010 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268676409 775414495 /nfs/dbraw/zinc/41/44/95/775414495.db2.gz VOHDOXSCSWWMOF-RKDXNWHRSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001268701025 775416040 /nfs/dbraw/zinc/41/60/40/775416040.db2.gz UWKVTOKWLHOXOU-QMMMGPOBSA-N 1 1 304.372 -1.122 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1CCNC1=O ZINC001268697958 775416388 /nfs/dbraw/zinc/41/63/88/775416388.db2.gz KHEKPKHUPZTFJA-VHSXEESVSA-N 1 1 322.369 -1.461 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCN1C ZINC001268699278 775416903 /nfs/dbraw/zinc/41/69/03/775416903.db2.gz HBTORIIXEQBQFD-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001268719310 775417568 /nfs/dbraw/zinc/41/75/68/775417568.db2.gz ZLIJLWAHQKISSA-WDEREUQCSA-N 1 1 315.370 -1.421 20 0 DAADMO Cc1cnoc1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001279878831 775417712 /nfs/dbraw/zinc/41/77/12/775417712.db2.gz NBPZYQCOOHUWRF-UHFFFAOYSA-N 1 1 309.330 -1.269 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CN1CCCC1=O ZINC001268719990 775417776 /nfs/dbraw/zinc/41/77/76/775417776.db2.gz DZWDBZCYOXKUDP-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001268720955 775417836 /nfs/dbraw/zinc/41/78/36/775417836.db2.gz PBXSRAZPFJYFAH-BDAKNGLRSA-N 1 1 309.330 -2.085 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)nn1 ZINC001268718243 775418146 /nfs/dbraw/zinc/41/81/46/775418146.db2.gz AWJIYBLDVOGZCC-VHSXEESVSA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CN1CCCC1=O ZINC001268719984 775418664 /nfs/dbraw/zinc/41/86/64/775418664.db2.gz DZWDBZCYOXKUDP-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1ncn[nH]1 ZINC001268709601 775418905 /nfs/dbraw/zinc/41/89/05/775418905.db2.gz OZFZXTGFCGSDPQ-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)c1nc[nH]n1 ZINC001268709601 775418910 /nfs/dbraw/zinc/41/89/10/775418910.db2.gz OZFZXTGFCGSDPQ-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](C[N@H+](C)CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001268746856 775420054 /nfs/dbraw/zinc/42/00/54/775420054.db2.gz QDEJSDNCJFAYCR-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001268746856 775420062 /nfs/dbraw/zinc/42/00/62/775420062.db2.gz QDEJSDNCJFAYCR-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268750652 775422262 /nfs/dbraw/zinc/42/22/62/775422262.db2.gz CJPWMBPWRLHOBH-VIFPVBQESA-N 1 1 313.358 -1.937 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268750652 775422270 /nfs/dbraw/zinc/42/22/70/775422270.db2.gz CJPWMBPWRLHOBH-VIFPVBQESA-N 1 1 313.358 -1.937 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001268751861 775422362 /nfs/dbraw/zinc/42/23/62/775422362.db2.gz VTNBBSISKMFRBZ-PSASIEDQSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001268751865 775423070 /nfs/dbraw/zinc/42/30/70/775423070.db2.gz VTNBBSISKMFRBZ-WCBMZHEXSA-N 1 1 308.342 -1.330 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268996729 775434208 /nfs/dbraw/zinc/43/42/08/775434208.db2.gz PKMOPSHIUPIJSK-UHFFFAOYSA-N 1 1 310.402 -1.566 20 0 DAADMO CN(C)C(=O)CN1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268996729 775434212 /nfs/dbraw/zinc/43/42/12/775434212.db2.gz PKMOPSHIUPIJSK-UHFFFAOYSA-N 1 1 310.402 -1.566 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC3(C2)CC[C@H](C(N)=O)O3)CC1 ZINC001269030777 775436233 /nfs/dbraw/zinc/43/62/33/775436233.db2.gz XTTJCNHPXJNESM-GFCCVEGCSA-N 1 1 310.398 -1.131 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC3(C2)CC[C@@H](C(N)=O)O3)CC1 ZINC001269030778 775437492 /nfs/dbraw/zinc/43/74/92/775437492.db2.gz XTTJCNHPXJNESM-LBPRGKRZSA-N 1 1 310.398 -1.131 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001269073604 775439663 /nfs/dbraw/zinc/43/96/63/775439663.db2.gz XMIMAPBCYYQQHS-QWRGUYRKSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001269073604 775439670 /nfs/dbraw/zinc/43/96/70/775439670.db2.gz XMIMAPBCYYQQHS-QWRGUYRKSA-N 1 1 324.381 -1.103 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)cn1 ZINC001269097146 775441399 /nfs/dbraw/zinc/44/13/99/775441399.db2.gz RKOBUISOCHFQDS-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001269098938 775441918 /nfs/dbraw/zinc/44/19/18/775441918.db2.gz DIWHHZAJTUUFJW-WDEREUQCSA-N 1 1 306.370 -1.064 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001269117741 775443336 /nfs/dbraw/zinc/44/33/36/775443336.db2.gz BLCPPLQBRQPLQA-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001269117741 775443344 /nfs/dbraw/zinc/44/33/44/775443344.db2.gz BLCPPLQBRQPLQA-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@@H](NC(=O)c1ncn[nH]1)C1CC1 ZINC001269130308 775443394 /nfs/dbraw/zinc/44/33/94/775443394.db2.gz SOGXLSFQMHBVPY-SECBINFHSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@@H](NC(=O)c1nc[nH]n1)C1CC1 ZINC001269130308 775443401 /nfs/dbraw/zinc/44/34/01/775443401.db2.gz SOGXLSFQMHBVPY-SECBINFHSA-N 1 1 301.372 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001269177499 775446270 /nfs/dbraw/zinc/44/62/70/775446270.db2.gz JFDMUDUSLMSWGY-GHMZBOCLSA-N 1 1 313.354 -1.763 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)c1 ZINC001269182374 775446796 /nfs/dbraw/zinc/44/67/96/775446796.db2.gz HQCOHPRRCOQJRO-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001269193967 775448844 /nfs/dbraw/zinc/44/88/44/775448844.db2.gz YSISTTHKVLHIEC-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001269210992 775449891 /nfs/dbraw/zinc/44/98/91/775449891.db2.gz QAVQVCNIYSUDDA-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001269210992 775449898 /nfs/dbraw/zinc/44/98/98/775449898.db2.gz QAVQVCNIYSUDDA-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001269203320 775450142 /nfs/dbraw/zinc/45/01/42/775450142.db2.gz PAJSVGHUFBEBKF-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001269227715 775450430 /nfs/dbraw/zinc/45/04/30/775450430.db2.gz QOFHVQSBPWBSRO-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001269227715 775450434 /nfs/dbraw/zinc/45/04/34/775450434.db2.gz QOFHVQSBPWBSRO-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CCNC(=O)CC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001269235476 775452303 /nfs/dbraw/zinc/45/23/03/775452303.db2.gz YABFMDGVTWCKIW-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCNC(=O)CC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001269235476 775452309 /nfs/dbraw/zinc/45/23/09/775452309.db2.gz YABFMDGVTWCKIW-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001269280252 775454579 /nfs/dbraw/zinc/45/45/79/775454579.db2.gz JADLEZDHSGMKSV-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001269280252 775454589 /nfs/dbraw/zinc/45/45/89/775454589.db2.gz JADLEZDHSGMKSV-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCOCCO)c1ccn2nnnc2c1 ZINC001269272006 775455455 /nfs/dbraw/zinc/45/54/55/775455455.db2.gz GKXXBXVXRARRMJ-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCOCCO)c1ccn2nnnc2c1 ZINC001269272006 775455458 /nfs/dbraw/zinc/45/54/58/775455458.db2.gz GKXXBXVXRARRMJ-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)C1 ZINC001269312282 775456409 /nfs/dbraw/zinc/45/64/09/775456409.db2.gz CSNIOXYXWDPOCW-OPRDCNLKSA-N 1 1 302.327 -3.205 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)O1 ZINC001269292110 775456695 /nfs/dbraw/zinc/45/66/95/775456695.db2.gz OXPVOPXWFDUNKN-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)O1 ZINC001269292110 775456702 /nfs/dbraw/zinc/45/67/02/775456702.db2.gz OXPVOPXWFDUNKN-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)C1 ZINC001269312278 775456800 /nfs/dbraw/zinc/45/68/00/775456800.db2.gz CSNIOXYXWDPOCW-LPEHRKFASA-N 1 1 302.327 -3.205 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302246 775456869 /nfs/dbraw/zinc/45/68/69/775456869.db2.gz OTXYBXSUTBWODB-GATDUIATSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269302246 775456874 /nfs/dbraw/zinc/45/68/74/775456874.db2.gz OTXYBXSUTBWODB-GATDUIATSA-N 1 1 318.326 -3.672 20 0 DAADMO C[NH+]1CC2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001269313036 775457865 /nfs/dbraw/zinc/45/78/65/775457865.db2.gz NPGFVVCMZFYRRS-GMTAPVOTSA-N 1 1 316.354 -2.815 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)NCc1cnc[nH]1)C(N)=[NH2+] ZINC001269347447 775461359 /nfs/dbraw/zinc/46/13/59/775461359.db2.gz CHLUWXMGIJGVNG-LKFCYVNXSA-N 1 1 319.369 -1.158 20 0 DAADMO CN(C)C(=O)c1[nH]nc2c1CCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001269348928 775461656 /nfs/dbraw/zinc/46/16/56/775461656.db2.gz UILNKJUOGVKOOK-UHFFFAOYSA-N 1 1 307.358 -1.179 20 0 DAADMO CCOCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001284506792 775464694 /nfs/dbraw/zinc/46/46/94/775464694.db2.gz WJLNKZHRRLAKJA-NWDGAFQWSA-N 1 1 316.402 -1.202 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)CN3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001269428532 775464770 /nfs/dbraw/zinc/46/47/70/775464770.db2.gz MPKLHQSTIAGSJE-ZIAGYGMSSA-N 1 1 316.352 -1.035 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284510773 775466509 /nfs/dbraw/zinc/46/65/09/775466509.db2.gz ZYVXBTGQPWPVGL-VIFPVBQESA-N 1 1 300.359 -2.251 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284510773 775466516 /nfs/dbraw/zinc/46/65/16/775466516.db2.gz ZYVXBTGQPWPVGL-VIFPVBQESA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C)C(=O)CC(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284510947 775467310 /nfs/dbraw/zinc/46/73/10/775467310.db2.gz PSBHTZJXWQKPRK-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CN(C)C(=O)CC(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284510947 775467317 /nfs/dbraw/zinc/46/73/17/775467317.db2.gz PSBHTZJXWQKPRK-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CC[C@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001269482158 775468671 /nfs/dbraw/zinc/46/86/71/775468671.db2.gz OSRWAGDURCOFBX-SNVBAGLBSA-N 1 1 322.369 -1.148 20 0 DAADMO NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618110 775472952 /nfs/dbraw/zinc/47/29/52/775472952.db2.gz GPRWSZRHMSNFES-DOMZBBRYSA-N 1 1 313.398 -1.223 20 0 DAADMO O=C(C[NH+](CCO)CCO)NC12CC(C(=O)N3CC=CC3)(C1)C2 ZINC001269618995 775473179 /nfs/dbraw/zinc/47/31/79/775473179.db2.gz YBFOXFGUWZAJHK-UHFFFAOYSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001269618612 775473279 /nfs/dbraw/zinc/47/32/79/775473279.db2.gz RLFCLFNOXWBILB-CYBMUJFWSA-N 1 1 323.393 -1.480 20 0 DAADMO NC(=O)[C@H]1CCC[C@]12CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618111 775473339 /nfs/dbraw/zinc/47/33/39/775473339.db2.gz GPRWSZRHMSNFES-IUODEOHRSA-N 1 1 313.398 -1.223 20 0 DAADMO NC(=O)[C@H]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)O1 ZINC001269618340 775474006 /nfs/dbraw/zinc/47/40/06/775474006.db2.gz MHYDTRFSBAAKON-SNVBAGLBSA-N 1 1 301.343 -2.482 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138647 775476238 /nfs/dbraw/zinc/47/62/38/775476238.db2.gz VZBWGTFENNLXFW-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149138647 775476241 /nfs/dbraw/zinc/47/62/41/775476241.db2.gz VZBWGTFENNLXFW-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)CNC(N)=O)CC2 ZINC001270074452 775481407 /nfs/dbraw/zinc/48/14/07/775481407.db2.gz WRQIFKZXWDCLHC-UHFFFAOYSA-N 1 1 311.386 -1.333 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CNC(N)=O)CC3)[C@@H]2C1 ZINC001270074463 775482102 /nfs/dbraw/zinc/48/21/02/775482102.db2.gz XKMCXURQNACZQE-NXEZZACHSA-N 1 1 309.370 -1.677 20 0 DAADMO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Cc4nn[nH]n4)CC3)[C@H]2C1 ZINC001270182853 775486644 /nfs/dbraw/zinc/48/66/44/775486644.db2.gz MMHHFSDHKDCUGK-UWVGGRQHSA-N 1 1 319.369 -1.589 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Cc4nn[nH]n4)CC3)[C@H]2C1 ZINC001270182853 775486650 /nfs/dbraw/zinc/48/66/50/775486650.db2.gz MMHHFSDHKDCUGK-UWVGGRQHSA-N 1 1 319.369 -1.589 20 0 DAADMO COC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149139111 775488780 /nfs/dbraw/zinc/48/87/80/775488780.db2.gz XVPJMWZMLZJJMR-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO CN1C[C@@H](O)C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272273152 775488909 /nfs/dbraw/zinc/48/89/09/775488909.db2.gz HQWNWAXQXDTSBX-XEZPLFJOSA-N 1 1 324.425 -1.136 20 0 DAADMO Cc1noc(C[NH2+]C[C@H](C)CNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001270428568 775493274 /nfs/dbraw/zinc/49/32/74/775493274.db2.gz ZZKGRCBWAQXTOV-CBAPKCEASA-N 1 1 324.341 -1.182 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001270511600 775496334 /nfs/dbraw/zinc/49/63/34/775496334.db2.gz CKNZKUUFDBVBDF-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO COCCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001270622682 775498486 /nfs/dbraw/zinc/49/84/86/775498486.db2.gz AOAJUKJUZADMSO-SMDDNHRTSA-N 1 1 314.386 -1.089 20 0 DAADMO COCCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001270622680 775499515 /nfs/dbraw/zinc/49/95/15/775499515.db2.gz AOAJUKJUZADMSO-FZMZJTMJSA-N 1 1 314.386 -1.089 20 0 DAADMO C[C@]1(NC(=O)CCn2cc[nH]c(=O)c2=O)CC[N@@H+](CCO)C1 ZINC001270643142 775501032 /nfs/dbraw/zinc/50/10/32/775501032.db2.gz RFNMRDYEPFTLNU-AWEZNQCLSA-N 1 1 310.354 -1.500 20 0 DAADMO COCCC[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001270692208 775503314 /nfs/dbraw/zinc/50/33/14/775503314.db2.gz PDDMPNRSXLXWKU-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCC[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001270692208 775503323 /nfs/dbraw/zinc/50/33/23/775503323.db2.gz PDDMPNRSXLXWKU-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001270697874 775503518 /nfs/dbraw/zinc/50/35/18/775503518.db2.gz TXOHBUJABZIIKM-IHRRRGAJSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001270697874 775503526 /nfs/dbraw/zinc/50/35/26/775503526.db2.gz TXOHBUJABZIIKM-IHRRRGAJSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cnnn1C ZINC001087497440 775514030 /nfs/dbraw/zinc/51/40/30/775514030.db2.gz OGUSYYYKFVYDFG-NWDGAFQWSA-N 1 1 319.373 -1.029 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cnnn1C ZINC001087497440 775514036 /nfs/dbraw/zinc/51/40/36/775514036.db2.gz OGUSYYYKFVYDFG-NWDGAFQWSA-N 1 1 319.373 -1.029 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698032 775514228 /nfs/dbraw/zinc/51/42/28/775514228.db2.gz OROZSHYQILELFD-NEPJUHHUSA-N 1 1 322.369 -1.731 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC001167990153 775514491 /nfs/dbraw/zinc/51/44/91/775514491.db2.gz MXUWRUQUXRWLHQ-UWVGGRQHSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC001167990153 775514500 /nfs/dbraw/zinc/51/45/00/775514500.db2.gz MXUWRUQUXRWLHQ-UWVGGRQHSA-N 1 1 318.399 -1.060 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112155713 775516158 /nfs/dbraw/zinc/51/61/58/775516158.db2.gz GHZPEHBSWPENBF-HTQZYQBOSA-N 1 1 324.303 -1.025 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001149318140 775517948 /nfs/dbraw/zinc/51/79/48/775517948.db2.gz SYXIYPNPDWVWEU-KOLCDFICSA-N 1 1 309.374 -1.155 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098700360 775517972 /nfs/dbraw/zinc/51/79/72/775517972.db2.gz KDPHNROOQYZOEC-JTQLQIEISA-N 1 1 321.345 -2.029 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001270908095 775518857 /nfs/dbraw/zinc/51/88/57/775518857.db2.gz QTJLPBJMMISBPJ-XJKSGUPXSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001270993141 775521301 /nfs/dbraw/zinc/52/13/01/775521301.db2.gz YGDHGOIKPIPOOJ-CQSZACIVSA-N 1 1 311.386 -1.285 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCn3c(C(N)=O)cnc3C2)CC1 ZINC001271000789 775521395 /nfs/dbraw/zinc/52/13/95/775521395.db2.gz QQTDGFBZFUYXLX-UHFFFAOYSA-N 1 1 306.370 -1.428 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270980224 775522108 /nfs/dbraw/zinc/52/21/08/775522108.db2.gz OYOJFKVVXXNLHH-GFCCVEGCSA-N 1 1 310.398 -1.451 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270980224 775522115 /nfs/dbraw/zinc/52/21/15/775522115.db2.gz OYOJFKVVXXNLHH-GFCCVEGCSA-N 1 1 310.398 -1.451 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC[C@H](C(N)=O)n3nccc3C2)CC1 ZINC001270999188 775523051 /nfs/dbraw/zinc/52/30/51/775523051.db2.gz BFRDHQNPFNUJMP-CYBMUJFWSA-N 1 1 320.397 -1.111 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCn3c(nnc3C(N)=O)C2)CC1 ZINC001271000021 775523204 /nfs/dbraw/zinc/52/32/04/775523204.db2.gz IIBAGXKLGJWVJH-UHFFFAOYSA-N 1 1 307.358 -2.033 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCCNC1=O ZINC001271005692 775523587 /nfs/dbraw/zinc/52/35/87/775523587.db2.gz SMXAIDMKLLYCGU-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[C@@H](C(N)=O)N1CC2(CN(C(=O)C[NH+]3CCC3)C2)OCC1=O ZINC001271013166 775523761 /nfs/dbraw/zinc/52/37/61/775523761.db2.gz ZFRDCTGCNUUZQH-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO CC[N@@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001271081908 775527266 /nfs/dbraw/zinc/52/72/66/775527266.db2.gz WHYVGUORLYBJAA-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271060927 775528058 /nfs/dbraw/zinc/52/80/58/775528058.db2.gz WESSYSMQYLUXKC-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO CN(C)CC[N@H+]1CCC2(CN(C(=O)CNS(C)(=O)=O)C2)C1 ZINC001271060927 775528061 /nfs/dbraw/zinc/52/80/61/775528061.db2.gz WESSYSMQYLUXKC-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001271091491 775529042 /nfs/dbraw/zinc/52/90/42/775529042.db2.gz YMWXUGLQNKOHOO-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001271091491 775529048 /nfs/dbraw/zinc/52/90/48/775529048.db2.gz YMWXUGLQNKOHOO-IUODEOHRSA-N 1 1 311.382 -1.240 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C1 ZINC001271101515 775529335 /nfs/dbraw/zinc/52/93/35/775529335.db2.gz UABBUCOIMMHALV-QMMMGPOBSA-N 1 1 306.313 -1.367 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C(N)=O)C1 ZINC001271101515 775529340 /nfs/dbraw/zinc/52/93/40/775529340.db2.gz UABBUCOIMMHALV-QMMMGPOBSA-N 1 1 306.313 -1.367 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CC(N)=O ZINC001087603813 775532849 /nfs/dbraw/zinc/53/28/49/775532849.db2.gz JSZLJQCLVZRWDW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CC(N)=O ZINC001087603813 775532853 /nfs/dbraw/zinc/53/28/53/775532853.db2.gz JSZLJQCLVZRWDW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCOC ZINC001087578166 775533237 /nfs/dbraw/zinc/53/32/37/775533237.db2.gz FQNDZOGESVNBGM-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC(N)=O ZINC001087608322 775533491 /nfs/dbraw/zinc/53/34/91/775533491.db2.gz CLVYCYKCGGFORV-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1CC(N)=O ZINC001087608322 775533502 /nfs/dbraw/zinc/53/35/02/775533502.db2.gz CLVYCYKCGGFORV-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC001087578064 775533590 /nfs/dbraw/zinc/53/35/90/775533590.db2.gz YMGCWQZFTGSMNZ-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC001087578064 775533596 /nfs/dbraw/zinc/53/35/96/775533596.db2.gz YMGCWQZFTGSMNZ-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@@H+]1CC(N)=O ZINC001087639753 775533729 /nfs/dbraw/zinc/53/37/29/775533729.db2.gz PVYGCQZKNNAJPQ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CC[N@H+]1CC(N)=O ZINC001087639753 775533743 /nfs/dbraw/zinc/53/37/43/775533743.db2.gz PVYGCQZKNNAJPQ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)nn1C ZINC001271132447 775534179 /nfs/dbraw/zinc/53/41/79/775534179.db2.gz QXHHNFHXWYATBV-CQSZACIVSA-N 1 1 309.370 -1.343 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)nn1C ZINC001271132447 775534184 /nfs/dbraw/zinc/53/41/84/775534184.db2.gz QXHHNFHXWYATBV-CQSZACIVSA-N 1 1 309.370 -1.343 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC001087593782 775534383 /nfs/dbraw/zinc/53/43/83/775534383.db2.gz VTZJSRCPFHADHS-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1cnnn1C ZINC001087707733 775534986 /nfs/dbraw/zinc/53/49/86/775534986.db2.gz FVOAIAWZYJNAFI-QJPTWQEYSA-N 1 1 321.385 -1.034 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1cnnn1C ZINC001087707733 775534994 /nfs/dbraw/zinc/53/49/94/775534994.db2.gz FVOAIAWZYJNAFI-QJPTWQEYSA-N 1 1 321.385 -1.034 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087710893 775535169 /nfs/dbraw/zinc/53/51/69/775535169.db2.gz YMSAUSAQYZBVDK-SDDRHHMPSA-N 1 1 309.370 -1.302 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)C1=O ZINC001271132602 775535196 /nfs/dbraw/zinc/53/51/96/775535196.db2.gz RGHMOHZQFHFLFP-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC)C1 ZINC001271138988 775535686 /nfs/dbraw/zinc/53/56/86/775535686.db2.gz SZTPWGIGAJBOBY-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC)C1 ZINC001271138988 775535694 /nfs/dbraw/zinc/53/56/94/775535694.db2.gz SZTPWGIGAJBOBY-AWEZNQCLSA-N 1 1 314.386 -1.798 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)N(C)C ZINC001087707923 775535804 /nfs/dbraw/zinc/53/58/04/775535804.db2.gz MAKWAEBMDHXYFK-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H](C1)O2 ZINC001271139974 775538359 /nfs/dbraw/zinc/53/83/59/775538359.db2.gz SXEMYTGGNUMEMB-PHIMTYICSA-N 1 1 308.338 -1.120 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H](C1)O2 ZINC001271139974 775538363 /nfs/dbraw/zinc/53/83/63/775538363.db2.gz SXEMYTGGNUMEMB-PHIMTYICSA-N 1 1 308.338 -1.120 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC001087795740 775540129 /nfs/dbraw/zinc/54/01/29/775540129.db2.gz VCXAEMGOKJTWLK-GXSJLCMTSA-N 1 1 320.353 -1.007 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1CCCO ZINC001087822080 775541985 /nfs/dbraw/zinc/54/19/85/775541985.db2.gz VPFXVGLDDXLTKL-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1COC(=O)N1)c1nnnn1C1CC1 ZINC001126555299 775543119 /nfs/dbraw/zinc/54/31/19/775543119.db2.gz WUNKRHZUDKQKKV-APPZFPTMSA-N 1 1 309.330 -1.117 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC(N)=O ZINC001087842414 775543439 /nfs/dbraw/zinc/54/34/39/775543439.db2.gz SBSUYFNETCZCIR-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@H+]1CC(N)=O ZINC001087842414 775543451 /nfs/dbraw/zinc/54/34/51/775543451.db2.gz SBSUYFNETCZCIR-VHSXEESVSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1COC(=O)N1)c1nnnn1C1CC1 ZINC001126555302 775543666 /nfs/dbraw/zinc/54/36/66/775543666.db2.gz WUNKRHZUDKQKKV-VXNVDRBHSA-N 1 1 309.330 -1.117 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126554935 775543821 /nfs/dbraw/zinc/54/38/21/775543821.db2.gz SWKYKHHDMGSMNZ-SECBINFHSA-N 1 1 311.346 -1.213 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C1 ZINC001087879405 775544517 /nfs/dbraw/zinc/54/45/17/775544517.db2.gz NWYPMESKECCTTF-NEPJUHHUSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001271160847 775544685 /nfs/dbraw/zinc/54/46/85/775544685.db2.gz YYAMZBHWLWAGOL-QPUJVOFHSA-N 1 1 309.313 -1.699 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087879608 775544860 /nfs/dbraw/zinc/54/48/60/775544860.db2.gz WMVBGALJLSZNJJ-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@@H]2C1 ZINC001087892655 775545416 /nfs/dbraw/zinc/54/54/16/775545416.db2.gz HCTCWTZNABKDAK-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C1 ZINC001087912691 775545837 /nfs/dbraw/zinc/54/58/37/775545837.db2.gz CGPDICHCBHCSEE-ZJUUUORDSA-N 1 1 304.354 -1.062 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C1 ZINC001087912691 775545844 /nfs/dbraw/zinc/54/58/44/775545844.db2.gz CGPDICHCBHCSEE-ZJUUUORDSA-N 1 1 304.354 -1.062 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001087915649 775545871 /nfs/dbraw/zinc/54/58/71/775545871.db2.gz VRWFYOHWBVOLJJ-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]3C2)C1=O ZINC001087915333 775545913 /nfs/dbraw/zinc/54/59/13/775545913.db2.gz GXWDIACVVLTDCG-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087967248 775546066 /nfs/dbraw/zinc/54/60/66/775546066.db2.gz PIIFLCIJCRJYIC-GRYCIOLGSA-N 1 1 319.369 -1.658 20 0 DAADMO CCOCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710782 775546120 /nfs/dbraw/zinc/54/61/20/775546120.db2.gz MCGMVQRFZRCFME-NSHDSACASA-N 1 1 310.358 -1.337 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087967210 775546247 /nfs/dbraw/zinc/54/62/47/775546247.db2.gz OBBLDQBMNHEIPM-NEPJUHHUSA-N 1 1 321.385 -1.458 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCCN3C)C[C@@H]2C1 ZINC001087940294 775546583 /nfs/dbraw/zinc/54/65/83/775546583.db2.gz DCKOIXJGLLYECL-HZSPNIEDSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087967249 775546855 /nfs/dbraw/zinc/54/68/55/775546855.db2.gz PIIFLCIJCRJYIC-WOPDTQHZSA-N 1 1 319.369 -1.658 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001087915553 775546915 /nfs/dbraw/zinc/54/69/15/775546915.db2.gz QUKMROMIUPSATF-OUAUKWLOSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001087915511 775547069 /nfs/dbraw/zinc/54/70/69/775547069.db2.gz PGKAWFXUTNUULL-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087948252 775547706 /nfs/dbraw/zinc/54/77/06/775547706.db2.gz QKSWFWQWBGIVHC-NEPJUHHUSA-N 1 1 308.382 -1.270 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710683 775547893 /nfs/dbraw/zinc/54/78/93/775547893.db2.gz JJCKXPXRWTXYAK-MWLCHTKSSA-N 1 1 310.358 -1.339 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1 ZINC001087957414 775547936 /nfs/dbraw/zinc/54/79/36/775547936.db2.gz QPODBLICLKUEAN-MNOVXSKESA-N 1 1 306.370 -1.045 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087966818 775547961 /nfs/dbraw/zinc/54/79/61/775547961.db2.gz WYCOTEPKACGOEX-MNOVXSKESA-N 1 1 307.358 -1.801 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937452 775548052 /nfs/dbraw/zinc/54/80/52/775548052.db2.gz DWUBUKFIPSYURF-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)C[C@@H]2C1 ZINC001087980855 775548810 /nfs/dbraw/zinc/54/88/10/775548810.db2.gz XGYCQVYARPXTCU-NEPJUHHUSA-N 1 1 306.370 -1.196 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001271168147 775549409 /nfs/dbraw/zinc/54/94/09/775549409.db2.gz VZZNSAARZMGMSB-CQSZACIVSA-N 1 1 313.354 -1.929 20 0 DAADMO COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001271174632 775550875 /nfs/dbraw/zinc/55/08/75/775550875.db2.gz JUZHDLCJYCNBGN-FZMZJTMJSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001271174635 775550913 /nfs/dbraw/zinc/55/09/13/775550913.db2.gz JUZHDLCJYCNBGN-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@@H]2C1 ZINC001088004019 775551195 /nfs/dbraw/zinc/55/11/95/775551195.db2.gz DPXOOAMFXCAYQT-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001087997465 775551317 /nfs/dbraw/zinc/55/13/17/775551317.db2.gz HPZDYUKVTHCEKA-WOPDTQHZSA-N 1 1 324.381 -1.253 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)c1=O ZINC001088019415 775551607 /nfs/dbraw/zinc/55/16/07/775551607.db2.gz MUHFMDBYPMQBDO-NEPJUHHUSA-N 1 1 309.370 -1.646 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001088002782 775551669 /nfs/dbraw/zinc/55/16/69/775551669.db2.gz SXWCUCOKWIKOSA-WOPDTQHZSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)O1 ZINC001088012133 775552026 /nfs/dbraw/zinc/55/20/26/775552026.db2.gz URGZTJSIVQWMAF-YIYPIFLZSA-N 1 1 324.425 -1.029 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001088064942 775552771 /nfs/dbraw/zinc/55/27/71/775552771.db2.gz BWYMCNLDYBRDCQ-NEPJUHHUSA-N 1 1 323.397 -2.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]2C1 ZINC001088066239 775553116 /nfs/dbraw/zinc/55/31/16/775553116.db2.gz CJNUEXWMVGIBKB-WOPDTQHZSA-N 1 1 323.397 -1.464 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)c1=O ZINC001088052540 775553153 /nfs/dbraw/zinc/55/31/53/775553153.db2.gz VQGHNSPDPKVEIA-OLZOCXBDSA-N 1 1 323.397 -1.256 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088031004 775553846 /nfs/dbraw/zinc/55/38/46/775553846.db2.gz UOZZDHIEMZYUMS-NEPJUHHUSA-N 1 1 322.365 -1.279 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271184653 775555144 /nfs/dbraw/zinc/55/51/44/775555144.db2.gz NDXWHGKNJJQOCN-CQSZACIVSA-N 1 1 321.381 -1.261 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271184653 775555147 /nfs/dbraw/zinc/55/51/47/775555147.db2.gz NDXWHGKNJJQOCN-CQSZACIVSA-N 1 1 321.381 -1.261 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001271200654 775555645 /nfs/dbraw/zinc/55/56/45/775555645.db2.gz IGTXMDHUXTZMLM-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO COCCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271185254 775555785 /nfs/dbraw/zinc/55/57/85/775555785.db2.gz VIMHXNWXNGCORK-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO COCCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271185254 775555790 /nfs/dbraw/zinc/55/57/90/775555790.db2.gz VIMHXNWXNGCORK-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO[C@@H]2CCOC2)C1 ZINC001271185059 775555856 /nfs/dbraw/zinc/55/58/56/775555856.db2.gz RGPPNAYSSWKAEB-RISCZKNCSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO[C@H]2CCOC2)C1 ZINC001271185058 775556004 /nfs/dbraw/zinc/55/60/04/775556004.db2.gz RGPPNAYSSWKAEB-FZMZJTMJSA-N 1 1 315.370 -1.780 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001271207486 775557996 /nfs/dbraw/zinc/55/79/96/775557996.db2.gz DDYFRFALXNTCLM-AWEZNQCLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001271207486 775558003 /nfs/dbraw/zinc/55/80/03/775558003.db2.gz DDYFRFALXNTCLM-AWEZNQCLSA-N 1 1 312.370 -2.188 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001271229827 775559133 /nfs/dbraw/zinc/55/91/33/775559133.db2.gz XNVVPOIJFPAUFM-SMDDNHRTSA-N 1 1 301.387 -1.321 20 0 DAADMO COCCCN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001271263016 775561899 /nfs/dbraw/zinc/56/18/99/775561899.db2.gz SIJPXSQETHYVMD-LBPRGKRZSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCCN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001271263016 775561905 /nfs/dbraw/zinc/56/19/05/775561905.db2.gz SIJPXSQETHYVMD-LBPRGKRZSA-N 1 1 301.387 -1.484 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CO)CC3)[C@H]2C1 ZINC001271274527 775563382 /nfs/dbraw/zinc/56/33/82/775563382.db2.gz FLGKFSQFRREZRC-STQMWFEESA-N 1 1 324.425 -1.421 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001271281928 775564620 /nfs/dbraw/zinc/56/46/20/775564620.db2.gz MLXTVOMWHRHJCD-JTQLQIEISA-N 1 1 302.375 -1.367 20 0 DAADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCS(N)(=O)=O ZINC001271286839 775565988 /nfs/dbraw/zinc/56/59/88/775565988.db2.gz FAFJMXLBYPFNJE-RYUDHWBXSA-N 1 1 318.443 -1.098 20 0 DAADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCS(N)(=O)=O ZINC001271286839 775565993 /nfs/dbraw/zinc/56/59/93/775565993.db2.gz FAFJMXLBYPFNJE-RYUDHWBXSA-N 1 1 318.443 -1.098 20 0 DAADMO COCCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271343100 775570731 /nfs/dbraw/zinc/57/07/31/775570731.db2.gz IETBXAQCINSBLK-NSHDSACASA-N 1 1 314.386 -1.353 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CCOCCO)C1 ZINC001271336167 775571410 /nfs/dbraw/zinc/57/14/10/775571410.db2.gz XXVSSAJUGKLFBA-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCCO)C2 ZINC001271399915 775573679 /nfs/dbraw/zinc/57/36/79/775573679.db2.gz LSJXMKQCEZMVPD-XQQFMLRXSA-N 1 1 324.385 -1.349 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]2C1 ZINC001088088690 775573872 /nfs/dbraw/zinc/57/38/72/775573872.db2.gz HLBBEWMWSICWDP-ZJUUUORDSA-N 1 1 323.353 -2.196 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088143031 775577151 /nfs/dbraw/zinc/57/71/51/775577151.db2.gz QLYAEHXMLDBCHB-MNOVXSKESA-N 1 1 310.354 -1.689 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142996 775577204 /nfs/dbraw/zinc/57/72/04/775577204.db2.gz ORRJXQHNOVLCNC-UTUOFQBUSA-N 1 1 324.381 -1.301 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088123466 775577832 /nfs/dbraw/zinc/57/78/32/775577832.db2.gz RMNHSOSKTKFRJG-VWYCJHECSA-N 1 1 310.354 -1.643 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088142730 775578074 /nfs/dbraw/zinc/57/80/74/775578074.db2.gz ZORGZWZCMKXRLZ-ZJUUUORDSA-N 1 1 323.353 -2.196 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088143201 775578122 /nfs/dbraw/zinc/57/81/22/775578122.db2.gz YMSOQNIMVLBGPR-NEPJUHHUSA-N 1 1 324.381 -1.299 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001088150006 775579436 /nfs/dbraw/zinc/57/94/36/775579436.db2.gz GMYZQAIZOFOAAS-TUAOUCFPSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 ZINC001088193326 775582021 /nfs/dbraw/zinc/58/20/21/775582021.db2.gz WSPFLIWOYYUABS-UTUOFQBUSA-N 1 1 306.370 -1.068 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088224438 775583278 /nfs/dbraw/zinc/58/32/78/775583278.db2.gz YNBBBQXOAMTIFJ-WOPDTQHZSA-N 1 1 309.366 -1.188 20 0 DAADMO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001271536902 775586419 /nfs/dbraw/zinc/58/64/19/775586419.db2.gz XCALKKURBGMXKQ-NWDGAFQWSA-N 1 1 323.397 -1.368 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001271536902 775586420 /nfs/dbraw/zinc/58/64/20/775586420.db2.gz XCALKKURBGMXKQ-NWDGAFQWSA-N 1 1 323.397 -1.368 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C[C@@H](C1)O2 ZINC001271544598 775587537 /nfs/dbraw/zinc/58/75/37/775587537.db2.gz YJQHIPROUYQMAK-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C[C@@H](C1)O2 ZINC001271544598 775587547 /nfs/dbraw/zinc/58/75/47/775587547.db2.gz YJQHIPROUYQMAK-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001280409465 775589778 /nfs/dbraw/zinc/58/97/78/775589778.db2.gz XJBXTOCCCWMMJZ-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001280409465 775589782 /nfs/dbraw/zinc/58/97/82/775589782.db2.gz XJBXTOCCCWMMJZ-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C1CN(S(C)(=O)=O)C1 ZINC001271625588 775590236 /nfs/dbraw/zinc/59/02/36/775590236.db2.gz LGCDTPBXGTUPDT-PHIMTYICSA-N 1 1 303.384 -1.581 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C1CN(S(C)(=O)=O)C1 ZINC001271625588 775590239 /nfs/dbraw/zinc/59/02/39/775590239.db2.gz LGCDTPBXGTUPDT-PHIMTYICSA-N 1 1 303.384 -1.581 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)C3CN(S(C)(=O)=O)C3)C[C@@H](C1)O2 ZINC001271624580 775590659 /nfs/dbraw/zinc/59/06/59/775590659.db2.gz DRORTSULYDCORC-PHIMTYICSA-N 1 1 303.384 -1.581 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C3CN(S(C)(=O)=O)C3)C[C@@H](C1)O2 ZINC001271624580 775590667 /nfs/dbraw/zinc/59/06/67/775590667.db2.gz DRORTSULYDCORC-PHIMTYICSA-N 1 1 303.384 -1.581 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001271831928 775597009 /nfs/dbraw/zinc/59/70/09/775597009.db2.gz NWSVYBZYCIXEED-HZSPNIEDSA-N 1 1 314.382 -1.199 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001271844618 775598166 /nfs/dbraw/zinc/59/81/66/775598166.db2.gz BFORHQUPXHDRQR-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001271840878 775598555 /nfs/dbraw/zinc/59/85/55/775598555.db2.gz WQBONIDBDWOUPC-BETUJISGSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@H](C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1)CS(C)(=O)=O ZINC001271873631 775601069 /nfs/dbraw/zinc/60/10/69/775601069.db2.gz KMBZSTPYYKWMIT-MXWKQRLJSA-N 1 1 317.411 -1.457 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CCOCCO)C[C@@H]3C2)CC1 ZINC001271873888 775601359 /nfs/dbraw/zinc/60/13/59/775601359.db2.gz OTBPBTZSHOHJIG-TXEJJXNPSA-N 1 1 311.382 -1.349 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCNC4=O)CC3)[C@@H]2C1 ZINC001271945462 775603960 /nfs/dbraw/zinc/60/39/60/775603960.db2.gz JSEVINQNWVPXOA-IJLUTSLNSA-N 1 1 320.393 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCNC1=O)C2 ZINC001271945916 775604238 /nfs/dbraw/zinc/60/42/38/775604238.db2.gz NNSKOLXAAAIPSQ-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCNC1=O)C2 ZINC001271945916 775604244 /nfs/dbraw/zinc/60/42/44/775604244.db2.gz NNSKOLXAAAIPSQ-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001271957171 775605251 /nfs/dbraw/zinc/60/52/51/775605251.db2.gz JOTUFKDPZRELIZ-SECBINFHSA-N 1 1 309.330 -2.132 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001271957171 775605259 /nfs/dbraw/zinc/60/52/59/775605259.db2.gz JOTUFKDPZRELIZ-SECBINFHSA-N 1 1 309.330 -2.132 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001271969115 775609032 /nfs/dbraw/zinc/60/90/32/775609032.db2.gz CGIVMONTBDKITL-NSHDSACASA-N 1 1 312.370 -1.340 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001271969115 775609034 /nfs/dbraw/zinc/60/90/34/775609034.db2.gz CGIVMONTBDKITL-NSHDSACASA-N 1 1 312.370 -1.340 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CCc1nnc[nH]1 ZINC001271988848 775610351 /nfs/dbraw/zinc/61/03/51/775610351.db2.gz CRGGSGIDJCOBOW-JTQLQIEISA-N 1 1 322.369 -1.067 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CCc1nnc[nH]1 ZINC001271988848 775610355 /nfs/dbraw/zinc/61/03/55/775610355.db2.gz CRGGSGIDJCOBOW-JTQLQIEISA-N 1 1 322.369 -1.067 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001101465600 775613373 /nfs/dbraw/zinc/61/33/73/775613373.db2.gz PUYNTUBRPBZONM-PWSUYJOCSA-N 1 1 305.400 -1.692 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)C(C)(C)C(N)=O ZINC001272041064 775617120 /nfs/dbraw/zinc/61/71/20/775617120.db2.gz LHZCEUYUQDIKRT-UHFFFAOYSA-N 1 1 322.431 -1.563 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)C(C)(C)C(N)=O ZINC001272041064 775617129 /nfs/dbraw/zinc/61/71/29/775617129.db2.gz LHZCEUYUQDIKRT-UHFFFAOYSA-N 1 1 322.431 -1.563 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088532939 775617536 /nfs/dbraw/zinc/61/75/36/775617536.db2.gz QQLWZMVSQSFRGN-KOLCDFICSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088532939 775617539 /nfs/dbraw/zinc/61/75/39/775617539.db2.gz QQLWZMVSQSFRGN-KOLCDFICSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088548256 775617986 /nfs/dbraw/zinc/61/79/86/775617986.db2.gz KRCSAOFFRCRKDF-VWYCJHECSA-N 1 1 308.342 -1.035 20 0 DAADMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098641102 775619375 /nfs/dbraw/zinc/61/93/75/775619375.db2.gz PVRNCTIYPQBRHW-LLVKDONJSA-N 1 1 310.358 -1.337 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CCNC(=O)NC ZINC001126693040 775620662 /nfs/dbraw/zinc/62/06/62/775620662.db2.gz LTBQQFUESSGTFX-UHFFFAOYSA-N 1 1 312.378 -1.392 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C(N)=O)c1 ZINC001272059686 775621435 /nfs/dbraw/zinc/62/14/35/775621435.db2.gz OGROHUTVJRFJQI-NQBHXWOUSA-N 1 1 321.381 -1.222 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C(N)=O)c1 ZINC001272059686 775621441 /nfs/dbraw/zinc/62/14/41/775621441.db2.gz OGROHUTVJRFJQI-NQBHXWOUSA-N 1 1 321.381 -1.222 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001272064851 775622179 /nfs/dbraw/zinc/62/21/79/775622179.db2.gz JYXAUIHAJMZDNV-RWSFTLGLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]1C(N)=O)C2 ZINC001272064821 775622640 /nfs/dbraw/zinc/62/26/40/775622640.db2.gz IYDZLKXSFZMAKH-NOOOWODRSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]1C(N)=O)C2 ZINC001272064821 775622648 /nfs/dbraw/zinc/62/26/48/775622648.db2.gz IYDZLKXSFZMAKH-NOOOWODRSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001272064404 775623000 /nfs/dbraw/zinc/62/30/00/775623000.db2.gz DGGPYMDAMSWNHS-BJDJZHNGSA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001272064404 775623002 /nfs/dbraw/zinc/62/30/02/775623002.db2.gz DGGPYMDAMSWNHS-BJDJZHNGSA-N 1 1 308.382 -1.129 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnsn2)[C@H](OC)C1 ZINC001211918120 775623056 /nfs/dbraw/zinc/62/30/56/775623056.db2.gz XANCWQMDQYTKQQ-JMJZKYOTSA-N 1 1 316.383 -1.026 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnsn2)[C@H](OC)C1 ZINC001211918120 775623057 /nfs/dbraw/zinc/62/30/57/775623057.db2.gz XANCWQMDQYTKQQ-JMJZKYOTSA-N 1 1 316.383 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001272079965 775626629 /nfs/dbraw/zinc/62/66/29/775626629.db2.gz FRTFGLSDFLAMNV-SECBINFHSA-N 1 1 313.358 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001272079965 775626637 /nfs/dbraw/zinc/62/66/37/775626637.db2.gz FRTFGLSDFLAMNV-SECBINFHSA-N 1 1 313.358 -2.032 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001272086998 775628929 /nfs/dbraw/zinc/62/89/29/775628929.db2.gz JUHLUGCKVBSKFT-NEPJUHHUSA-N 1 1 301.387 -1.138 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@H+]1CCN1CCNC1=O ZINC001088593501 775629667 /nfs/dbraw/zinc/62/96/67/775629667.db2.gz KWYYMBXOVZFSKU-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211982036 775629727 /nfs/dbraw/zinc/62/97/27/775629727.db2.gz LDZXBUJLWMEHGF-NQBHXWOUSA-N 1 1 312.370 -1.144 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212051426 775634636 /nfs/dbraw/zinc/63/46/36/775634636.db2.gz YSIJAKZNNFZNCQ-YNEHKIRRSA-N 1 1 320.386 -1.528 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001272125389 775637822 /nfs/dbraw/zinc/63/78/22/775637822.db2.gz BQYJISVWSUBDQG-SECBINFHSA-N 1 1 314.342 -1.822 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098645954 775637842 /nfs/dbraw/zinc/63/78/42/775637842.db2.gz YSZBNLMIUZSLKB-LBPRGKRZSA-N 1 1 324.385 -1.340 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1COCCO1 ZINC001272117487 775637899 /nfs/dbraw/zinc/63/78/99/775637899.db2.gz XJONINLNTBAOBG-SNVBAGLBSA-N 1 1 314.346 -2.464 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)c1cnn(C)c1N ZINC001272150341 775640116 /nfs/dbraw/zinc/64/01/16/775640116.db2.gz VJJABWOQDSKEKA-UHFFFAOYSA-N 1 1 321.385 -1.040 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)c2cnn(C)c2N)[nH]1 ZINC001272150147 775640461 /nfs/dbraw/zinc/64/04/61/775640461.db2.gz RELXLBRYUWNCLZ-UHFFFAOYSA-N 1 1 322.373 -1.347 20 0 DAADMO Cc1nonc1C[NH2+]CCN(CCO)C(=O)c1cn(C)nn1 ZINC001272155986 775641318 /nfs/dbraw/zinc/64/13/18/775641318.db2.gz YWYCHGRAXNAQTL-UHFFFAOYSA-N 1 1 309.330 -1.269 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001272164939 775642748 /nfs/dbraw/zinc/64/27/48/775642748.db2.gz IPRNZGXCDWDGOS-SNVBAGLBSA-N 1 1 308.342 -1.527 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001272164939 775642751 /nfs/dbraw/zinc/64/27/51/775642751.db2.gz IPRNZGXCDWDGOS-SNVBAGLBSA-N 1 1 308.342 -1.527 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001272164947 775643189 /nfs/dbraw/zinc/64/31/89/775643189.db2.gz IUHQBERJFPELAA-VIFPVBQESA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001272164947 775643195 /nfs/dbraw/zinc/64/31/95/775643195.db2.gz IUHQBERJFPELAA-VIFPVBQESA-N 1 1 313.358 -1.856 20 0 DAADMO Cc1conc1C[NH2+]CCN(CCO)C(=O)Cn1ncnn1 ZINC001272168595 775644592 /nfs/dbraw/zinc/64/45/92/775644592.db2.gz LIPNWLCPDBQOAD-UHFFFAOYSA-N 1 1 309.330 -1.420 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC001088625640 775646933 /nfs/dbraw/zinc/64/69/33/775646933.db2.gz WNWCUAKBSHBHCO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC001088625640 775646940 /nfs/dbraw/zinc/64/69/40/775646940.db2.gz WNWCUAKBSHBHCO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNCc1nncn1C ZINC001272212887 775651562 /nfs/dbraw/zinc/65/15/62/775651562.db2.gz FTXHVKSFXOUDOE-UHFFFAOYSA-N 1 1 321.385 -1.069 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001102017500 775651787 /nfs/dbraw/zinc/65/17/87/775651787.db2.gz BXNAEIVLLLKTRE-GRYCIOLGSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001102017501 775652567 /nfs/dbraw/zinc/65/25/67/775652567.db2.gz BXNAEIVLLLKTRE-IJLUTSLNSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@@H+]1CC(N)=O ZINC001088721200 775654058 /nfs/dbraw/zinc/65/40/58/775654058.db2.gz FVOVWQXADWEYLX-VWYCJHECSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@H+]1CC(N)=O ZINC001088721200 775654063 /nfs/dbraw/zinc/65/40/63/775654063.db2.gz FVOVWQXADWEYLX-VWYCJHECSA-N 1 1 311.386 -1.159 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)nn1C ZINC001272224188 775654140 /nfs/dbraw/zinc/65/41/40/775654140.db2.gz AOMZXOMCMIWCFF-ZDUSSCGKSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088793396 775655660 /nfs/dbraw/zinc/65/56/60/775655660.db2.gz FYGJABFAGQGHEF-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088793396 775655663 /nfs/dbraw/zinc/65/56/63/775655663.db2.gz FYGJABFAGQGHEF-UTUOFQBUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088793315 775655806 /nfs/dbraw/zinc/65/58/06/775655806.db2.gz CDHDGFFFWXKYRN-USWWRNFRSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001088793315 775655812 /nfs/dbraw/zinc/65/58/12/775655812.db2.gz CDHDGFFFWXKYRN-USWWRNFRSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001088792586 775656141 /nfs/dbraw/zinc/65/61/41/775656141.db2.gz WNDFJVJLTDJYRL-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001088792586 775656150 /nfs/dbraw/zinc/65/61/50/775656150.db2.gz WNDFJVJLTDJYRL-MNOVXSKESA-N 1 1 311.386 -2.257 20 0 DAADMO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001088762918 775657027 /nfs/dbraw/zinc/65/70/27/775657027.db2.gz CHGOXOMYKJPOSJ-UTLUCORTSA-N 1 1 303.384 -1.502 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H]1C ZINC001088762918 775657034 /nfs/dbraw/zinc/65/70/34/775657034.db2.gz CHGOXOMYKJPOSJ-UTLUCORTSA-N 1 1 303.384 -1.502 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)N(C)C ZINC001088795780 775658794 /nfs/dbraw/zinc/65/87/94/775658794.db2.gz MTSWWICCZGAHSM-VWYCJHECSA-N 1 1 311.386 -1.323 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)N(C)C ZINC001088795780 775658798 /nfs/dbraw/zinc/65/87/98/775658798.db2.gz MTSWWICCZGAHSM-VWYCJHECSA-N 1 1 311.386 -1.323 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088795705 775658913 /nfs/dbraw/zinc/65/89/13/775658913.db2.gz LAJVIWJJHOMIJB-ADEWGFFLSA-N 1 1 323.397 -1.132 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088795705 775658917 /nfs/dbraw/zinc/65/89/17/775658917.db2.gz LAJVIWJJHOMIJB-ADEWGFFLSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)c2nnn(C)n2)[nH]1 ZINC001272234918 775661227 /nfs/dbraw/zinc/66/12/27/775661227.db2.gz KKPNINQIKHRCDC-UHFFFAOYSA-N 1 1 309.334 -2.139 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001272251318 775662410 /nfs/dbraw/zinc/66/24/10/775662410.db2.gz INUUERLUAPTYDH-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)n[nH]1 ZINC001126912284 775662482 /nfs/dbraw/zinc/66/24/82/775662482.db2.gz HTEIJULEBRNGJX-UHFFFAOYSA-N 1 1 323.357 -1.650 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126912884 775662518 /nfs/dbraw/zinc/66/25/18/775662518.db2.gz ZWDZESOCEPGUMB-UHFFFAOYSA-N 1 1 311.346 -1.793 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)[nH]1 ZINC001272243745 775663125 /nfs/dbraw/zinc/66/31/25/775663125.db2.gz WAVUYALKUMKRSH-UHFFFAOYSA-N 1 1 310.358 -1.711 20 0 DAADMO Cc1nnc(CC(=O)NCC[NH2+]Cc2nnc3n2CCOC3)[nH]1 ZINC001126912744 775663349 /nfs/dbraw/zinc/66/33/49/775663349.db2.gz UADVPPAYJBIIQA-UHFFFAOYSA-N 1 1 320.357 -1.317 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001088832452 775664146 /nfs/dbraw/zinc/66/41/46/775664146.db2.gz OHSYCHYZODDMMX-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088831212 775664174 /nfs/dbraw/zinc/66/41/74/775664174.db2.gz AVCGBUQAQJNHAS-VWYCJHECSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088831212 775664181 /nfs/dbraw/zinc/66/41/81/775664181.db2.gz AVCGBUQAQJNHAS-VWYCJHECSA-N 1 1 317.411 -1.125 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126926965 775665490 /nfs/dbraw/zinc/66/54/90/775665490.db2.gz WONMFXVDBMHTBG-ZETCQYMHSA-N 1 1 311.346 -1.794 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001101118513 775666640 /nfs/dbraw/zinc/66/66/40/775666640.db2.gz VCIWVRSXAMTFLT-RISCZKNCSA-N 1 1 321.385 -1.411 20 0 DAADMO CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001098665925 775666725 /nfs/dbraw/zinc/66/67/25/775666725.db2.gz JVOLMQIXHHQKDB-WFASDCNBSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001098665925 775666731 /nfs/dbraw/zinc/66/67/31/775666731.db2.gz JVOLMQIXHHQKDB-WFASDCNBSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)NCC(=O)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001105685845 775666783 /nfs/dbraw/zinc/66/67/83/775666783.db2.gz IUXJAHRJQLFDGS-UHFFFAOYSA-N 1 1 314.386 -1.271 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098666954 775666934 /nfs/dbraw/zinc/66/69/34/775666934.db2.gz MMVCTTLOVSIWIA-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1ccc(CC(=O)NCC[NH2+]Cc2nnc3n2CCOC3)n1 ZINC001126971444 775668220 /nfs/dbraw/zinc/66/82/20/775668220.db2.gz CMLKXGPKQVADCZ-UHFFFAOYSA-N 1 1 319.369 -1.010 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127088108 775675337 /nfs/dbraw/zinc/67/53/37/775675337.db2.gz OENYTQDLXZUGDX-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001127081918 775675463 /nfs/dbraw/zinc/67/54/63/775675463.db2.gz GBFSPVKOTLISQB-MRVPVSSYSA-N 1 1 319.391 -2.084 20 0 DAADMO Cc1cc(NC[C@@H](O)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001105715211 775678645 /nfs/dbraw/zinc/67/86/45/775678645.db2.gz OIVSQMDKFLEJPG-SNVBAGLBSA-N 1 1 306.330 -1.331 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105756219 775687265 /nfs/dbraw/zinc/68/72/65/775687265.db2.gz ROCSDAQCIFSLRI-ZJUUUORDSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2F)C1 ZINC001105769267 775688259 /nfs/dbraw/zinc/68/82/59/775688259.db2.gz JHIYCYIVXPFRTO-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2F)C1 ZINC001105769267 775688266 /nfs/dbraw/zinc/68/82/66/775688266.db2.gz JHIYCYIVXPFRTO-VHSXEESVSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nccnc2F)C1 ZINC001105769270 775688320 /nfs/dbraw/zinc/68/83/20/775688320.db2.gz JHIYCYIVXPFRTO-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nccnc2F)C1 ZINC001105769270 775688326 /nfs/dbraw/zinc/68/83/26/775688326.db2.gz JHIYCYIVXPFRTO-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cnc(F)cn2)C1 ZINC001105769445 775690107 /nfs/dbraw/zinc/69/01/07/775690107.db2.gz LUBCEKWFSVWTCN-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cnc(F)cn2)C1 ZINC001105769445 775690109 /nfs/dbraw/zinc/69/01/09/775690109.db2.gz LUBCEKWFSVWTCN-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105852676 775703582 /nfs/dbraw/zinc/70/35/82/775703582.db2.gz XLZFUXNVDWVCSZ-ZYHUDNBSSA-N 1 1 323.401 -1.128 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170096 775704378 /nfs/dbraw/zinc/70/43/78/775704378.db2.gz GSKBMAHYAQIXDB-UKKRHICBSA-N 1 1 318.374 -2.134 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@H](OC)C1 ZINC001212170095 775704444 /nfs/dbraw/zinc/70/44/44/775704444.db2.gz GSKBMAHYAQIXDB-LNFKQOIKSA-N 1 1 318.374 -2.134 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2nccn3nnnc23)C1 ZINC001105854267 775706030 /nfs/dbraw/zinc/70/60/30/775706030.db2.gz XEXSYNPLKDCVDB-VHSXEESVSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001105854265 775706500 /nfs/dbraw/zinc/70/65/00/775706500.db2.gz XEXSYNPLKDCVDB-UWVGGRQHSA-N 1 1 320.357 -1.640 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127157366 775711230 /nfs/dbraw/zinc/71/12/30/775711230.db2.gz ZTPMQYBQHVWFFV-VIFPVBQESA-N 1 1 312.378 -1.264 20 0 DAADMO C[C@@H](CC(=O)NCC[NH2+]Cc1nnnn1C1CC1)NC(N)=O ZINC001127163106 775711805 /nfs/dbraw/zinc/71/18/05/775711805.db2.gz QFNHJFLEOXWZCC-QMMMGPOBSA-N 1 1 310.362 -1.339 20 0 DAADMO C[C@H](CC(=O)NCC[NH2+]Cc1ncnn1CCF)NC(N)=O ZINC001127162791 775712650 /nfs/dbraw/zinc/71/26/50/775712650.db2.gz OEYJFEMAYDPYKU-SECBINFHSA-N 1 1 315.353 -1.100 20 0 DAADMO C[C@@H](CC(=O)NCC[NH2+]Cc1ncnn1CCF)NC(N)=O ZINC001127162792 775712821 /nfs/dbraw/zinc/71/28/21/775712821.db2.gz OEYJFEMAYDPYKU-VIFPVBQESA-N 1 1 315.353 -1.100 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105944148 775715821 /nfs/dbraw/zinc/71/58/21/775715821.db2.gz KLJSWLABDNSMDR-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212177964 775716299 /nfs/dbraw/zinc/71/62/99/775716299.db2.gz CJCIJCQOSQSJNM-GHMZBOCLSA-N 1 1 303.359 -2.053 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105945058 775716935 /nfs/dbraw/zinc/71/69/35/775716935.db2.gz JNJXNHKBULTRIF-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO Cc1cccn(CC(=O)NCC[NH2+]Cc2nnnn2C)c1=O ZINC001127181813 775722591 /nfs/dbraw/zinc/72/25/91/775722591.db2.gz RYOYRKYDABOEEE-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCCON)CN1CC[NH+](C)CC1 ZINC001120429522 775723479 /nfs/dbraw/zinc/72/34/79/775723479.db2.gz VUPVWJAUCMKETG-LBPRGKRZSA-N 1 1 315.418 -1.617 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106050453 775727629 /nfs/dbraw/zinc/72/76/29/775727629.db2.gz PSWPQBCYTDDBJX-NXEZZACHSA-N 1 1 309.374 -1.470 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088895909 775733674 /nfs/dbraw/zinc/73/36/74/775733674.db2.gz DDGMKFMYQFEIBZ-PWSUYJOCSA-N 1 1 324.381 -1.077 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC001088896280 775734257 /nfs/dbraw/zinc/73/42/57/775734257.db2.gz ZNHKTVIZKBWJLE-KOLCDFICSA-N 1 1 310.354 -1.731 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@H+]1CCCO ZINC001088915160 775735257 /nfs/dbraw/zinc/73/52/57/775735257.db2.gz MBRPZMBXBDVJPG-VQEBWTGLSA-N 1 1 324.381 -1.064 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CC[N@H+]1CCO ZINC001088959260 775735551 /nfs/dbraw/zinc/73/55/51/775735551.db2.gz UVIRDWQOAJYSDW-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC001088994878 775737515 /nfs/dbraw/zinc/73/75/15/775737515.db2.gz MQYGKBJTAISYSK-NEPJUHHUSA-N 1 1 321.381 -1.123 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC001088994878 775737524 /nfs/dbraw/zinc/73/75/24/775737524.db2.gz MQYGKBJTAISYSK-NEPJUHHUSA-N 1 1 321.381 -1.123 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCCO ZINC001089027255 775737556 /nfs/dbraw/zinc/73/75/56/775737556.db2.gz GPDCCQBFHZOZNY-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)CC[N@H+]1CCO ZINC001089021003 775737871 /nfs/dbraw/zinc/73/78/71/775737871.db2.gz PJOAFKMMDHHDSV-ZJUUUORDSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC001088961751 775737952 /nfs/dbraw/zinc/73/79/52/775737952.db2.gz VKXAKCTWDXMSTI-MXWKQRLJSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCCO ZINC001088961818 775738258 /nfs/dbraw/zinc/73/82/58/775738258.db2.gz ZDOSWZXJDXTAEN-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001088979070 775738281 /nfs/dbraw/zinc/73/82/81/775738281.db2.gz RUUNVIBCLYCHQY-BBBLOLIVSA-N 1 1 320.353 -1.009 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[N@@H+]1CCO ZINC001089035711 775738551 /nfs/dbraw/zinc/73/85/51/775738551.db2.gz REHTXQYRALMCSG-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)CC[N@H+]1CCO ZINC001089035711 775738555 /nfs/dbraw/zinc/73/85/55/775738555.db2.gz REHTXQYRALMCSG-NEPJUHHUSA-N 1 1 319.427 -1.712 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC001089035532 775738643 /nfs/dbraw/zinc/73/86/43/775738643.db2.gz HHJXZVAYNZPWPI-APPZFPTMSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC001089035532 775738647 /nfs/dbraw/zinc/73/86/47/775738647.db2.gz HHJXZVAYNZPWPI-APPZFPTMSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC001089026348 775738879 /nfs/dbraw/zinc/73/88/79/775738879.db2.gz FLTZLSDCISKKSW-MXWKQRLJSA-N 1 1 312.370 -1.160 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@@H+]1CC(N)=O ZINC001089026535 775738981 /nfs/dbraw/zinc/73/89/81/775738981.db2.gz OQKMNNQNMOWGPZ-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CC(N)=O ZINC001089026535 775738989 /nfs/dbraw/zinc/73/89/89/775738989.db2.gz OQKMNNQNMOWGPZ-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089060389 775739778 /nfs/dbraw/zinc/73/97/78/775739778.db2.gz JDRCYIGSQLXEGB-BBBLOLIVSA-N 1 1 310.358 -1.663 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089060388 775740260 /nfs/dbraw/zinc/74/02/60/775740260.db2.gz JDRCYIGSQLXEGB-AEJSXWLSSA-N 1 1 310.358 -1.663 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CCCO ZINC001089046627 775741094 /nfs/dbraw/zinc/74/10/94/775741094.db2.gz RAPXTVZBHAXTAD-OUAUKWLOSA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045876 775741342 /nfs/dbraw/zinc/74/13/42/775741342.db2.gz LHCSPQSYMUVWDI-KXUCPTDWSA-N 1 1 318.399 -1.997 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045876 775741356 /nfs/dbraw/zinc/74/13/56/775741356.db2.gz LHCSPQSYMUVWDI-KXUCPTDWSA-N 1 1 318.399 -1.997 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106088283 775742411 /nfs/dbraw/zinc/74/24/11/775742411.db2.gz CMPFHFNDMBREDP-VHSXEESVSA-N 1 1 308.342 -1.336 20 0 DAADMO CCc1nc(NC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001106089225 775743845 /nfs/dbraw/zinc/74/38/45/775743845.db2.gz QQGNCPYQNMTSFF-VHSXEESVSA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001106088423 775744464 /nfs/dbraw/zinc/74/44/64/775744464.db2.gz GKSSFAHEKJMBIE-QWRGUYRKSA-N 1 1 322.369 -1.028 20 0 DAADMO CCc1cc(NC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106089107 775744951 /nfs/dbraw/zinc/74/49/51/775744951.db2.gz PQFFUZLSMSXTBQ-QWRGUYRKSA-N 1 1 322.369 -1.082 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCNC2=O)nn1 ZINC001272442196 775759831 /nfs/dbraw/zinc/75/98/31/775759831.db2.gz CXCHZMMOIQDNGG-NWDGAFQWSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC2=O)oc1C ZINC001272496151 775765457 /nfs/dbraw/zinc/76/54/57/775765457.db2.gz MAAYDHMXCHPPNI-GHMZBOCLSA-N 1 1 310.354 -1.006 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)nc1 ZINC001272505824 775767439 /nfs/dbraw/zinc/76/74/39/775767439.db2.gz ZWZHZBWNPAODRP-NWDGAFQWSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001272503888 775767507 /nfs/dbraw/zinc/76/75/07/775767507.db2.gz IHPUMDBUIKXMDM-UWVGGRQHSA-N 1 1 311.342 -1.577 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)nc1 ZINC001272505822 775767522 /nfs/dbraw/zinc/76/75/22/775767522.db2.gz ZWZHZBWNPAODRP-NEPJUHHUSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C2(C(N)=O)CC2)nc1 ZINC001272511481 775768859 /nfs/dbraw/zinc/76/88/59/775768859.db2.gz CDAVFNHFRCFNOR-SNVBAGLBSA-N 1 1 307.354 -1.383 20 0 DAADMO O=C1CC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)N1 ZINC001272528719 775770015 /nfs/dbraw/zinc/77/00/15/775770015.db2.gz WPGCHBWDGIAMDS-XHDPSFHLSA-N 1 1 309.366 -1.033 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C2(C(=O)NC)CC2)nn1 ZINC001272543751 775772543 /nfs/dbraw/zinc/77/25/43/775772543.db2.gz ANKMEJSEGOUPET-NSHDSACASA-N 1 1 324.385 -1.609 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001272555698 775773938 /nfs/dbraw/zinc/77/39/38/775773938.db2.gz QOXFFYOFZXEZBU-ZDUSSCGKSA-N 1 1 323.441 -1.393 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106146566 775775421 /nfs/dbraw/zinc/77/54/21/775775421.db2.gz CAVHCOZBSNFJFW-JTQLQIEISA-N 1 1 310.358 -1.089 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001106146567 775775624 /nfs/dbraw/zinc/77/56/24/775775624.db2.gz CAVHCOZBSNFJFW-SNVBAGLBSA-N 1 1 310.358 -1.089 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001272568135 775778585 /nfs/dbraw/zinc/77/85/85/775778585.db2.gz VRFZKOUBHBGZJM-SECBINFHSA-N 1 1 318.341 -1.329 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001272582665 775784242 /nfs/dbraw/zinc/78/42/42/775784242.db2.gz BKVDGPCEABCPAF-LBPRGKRZSA-N 1 1 313.402 -1.826 20 0 DAADMO CN1CCN(C)CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001122376651 775784590 /nfs/dbraw/zinc/78/45/90/775784590.db2.gz DOEIWDLYDGPCLH-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106522988 775789650 /nfs/dbraw/zinc/78/96/50/775789650.db2.gz XRGGMKZGJBMUMS-HBNTYKKESA-N 1 1 323.401 -1.094 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)O1 ZINC001272630074 775794090 /nfs/dbraw/zinc/79/40/90/775794090.db2.gz SCDFUVLPSVUFGB-SDDRHHMPSA-N 1 1 311.382 -1.100 20 0 DAADMO CN(C)C(=O)[C@H]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)O1 ZINC001272630074 775794102 /nfs/dbraw/zinc/79/41/02/775794102.db2.gz SCDFUVLPSVUFGB-SDDRHHMPSA-N 1 1 311.382 -1.100 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@H]12 ZINC001272630656 775794586 /nfs/dbraw/zinc/79/45/86/775794586.db2.gz XLKXTCYXOKDMTP-XWLWVQCSSA-N 1 1 310.354 -1.647 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@H]12 ZINC001272630656 775794596 /nfs/dbraw/zinc/79/45/96/775794596.db2.gz XLKXTCYXOKDMTP-XWLWVQCSSA-N 1 1 310.354 -1.647 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272629180 775794718 /nfs/dbraw/zinc/79/47/18/775794718.db2.gz LTXWKAFQFZHMPZ-UWVGGRQHSA-N 1 1 322.369 -1.613 20 0 DAADMO CN(C)C(=O)c1nnc2n1CCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272629180 775794728 /nfs/dbraw/zinc/79/47/28/775794728.db2.gz LTXWKAFQFZHMPZ-UWVGGRQHSA-N 1 1 322.369 -1.613 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001272627928 775794809 /nfs/dbraw/zinc/79/48/09/775794809.db2.gz BXSSDJMXGXKMGD-RBAVJSINSA-N 1 1 323.393 -1.147 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)NC12CC(C(=O)NCC3COC3)(C1)C2 ZINC001272627928 775794814 /nfs/dbraw/zinc/79/48/14/775794814.db2.gz BXSSDJMXGXKMGD-RBAVJSINSA-N 1 1 323.393 -1.147 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001272625298 775795265 /nfs/dbraw/zinc/79/52/65/775795265.db2.gz JZMPFAKYEVKQSV-SRVKXCTJSA-N 1 1 307.354 -1.293 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001272625298 775795273 /nfs/dbraw/zinc/79/52/73/775795273.db2.gz JZMPFAKYEVKQSV-SRVKXCTJSA-N 1 1 307.354 -1.293 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C(F)(F)F ZINC001099247120 775795372 /nfs/dbraw/zinc/79/53/72/775795372.db2.gz SSYSYWDROYGSSU-QYNIQEEDSA-N 1 1 324.259 -1.441 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)c1ccc(=O)[nH]n1 ZINC001123090980 775795473 /nfs/dbraw/zinc/79/54/73/775795473.db2.gz MLTXTKVAANGELU-UHFFFAOYSA-N 1 1 319.325 -1.177 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123313724 775797943 /nfs/dbraw/zinc/79/79/43/775797943.db2.gz WTDCFMXIDLLVFR-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@H](OC)C1 ZINC001212209331 775798201 /nfs/dbraw/zinc/79/82/01/775798201.db2.gz XIEMFPSUBWQFDZ-GMTAPVOTSA-N 1 1 301.343 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@H](OC)C1 ZINC001212214728 775798452 /nfs/dbraw/zinc/79/84/52/775798452.db2.gz VZMGPWQSVIYGCA-GMTAPVOTSA-N 1 1 313.358 -1.749 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001123626962 775799575 /nfs/dbraw/zinc/79/95/75/775799575.db2.gz OEFMAFKUYCLPEX-QWRGUYRKSA-N 1 1 304.416 -1.570 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433547 775802958 /nfs/dbraw/zinc/80/29/58/775802958.db2.gz QJDASAWCPYWVTQ-UHFFFAOYSA-N 1 1 307.362 -1.173 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)Cn1ncnn1 ZINC001127433149 775802980 /nfs/dbraw/zinc/80/29/80/775802980.db2.gz HFPCVKGXYCVTBZ-UHFFFAOYSA-N 1 1 308.350 -1.679 20 0 DAADMO NC(=O)[C@H]([NH2+]CCNC(=O)Cn1ncnn1)c1ccc(F)cc1 ZINC001127438047 775804479 /nfs/dbraw/zinc/80/44/79/775804479.db2.gz KSPROJMWLLWPJN-GFCCVEGCSA-N 1 1 321.316 -1.255 20 0 DAADMO CC1(C)C[C@H](NC(=O)C(N)=O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001089478884 775807826 /nfs/dbraw/zinc/80/78/26/775807826.db2.gz BKOMTVZFQVXLKE-ZJUUUORDSA-N 1 1 324.381 -1.116 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1COCCO1 ZINC001123870630 775808378 /nfs/dbraw/zinc/80/83/78/775808378.db2.gz YGXHDMWLVBFPMP-JTQLQIEISA-N 1 1 311.342 -1.571 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001212264351 775811237 /nfs/dbraw/zinc/81/12/37/775811237.db2.gz HANCNRJNMDIXBQ-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001212268028 775812955 /nfs/dbraw/zinc/81/29/55/775812955.db2.gz NFHYUJMUOLHSPH-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CO[C@@H]1CCOC1 ZINC001212277806 775813582 /nfs/dbraw/zinc/81/35/82/775813582.db2.gz WBJXBJBQYKYXMS-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212270021 775814160 /nfs/dbraw/zinc/81/41/60/775814160.db2.gz BTSANUCDWAROKT-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CO[C@H]1CCOC1 ZINC001212277808 775814512 /nfs/dbraw/zinc/81/45/12/775814512.db2.gz WBJXBJBQYKYXMS-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212309696 775815536 /nfs/dbraw/zinc/81/55/36/775815536.db2.gz ZVMGHBJJJGBVAG-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@H](OC)C1 ZINC001212308841 775815730 /nfs/dbraw/zinc/81/57/30/775815730.db2.gz INLJTVBNIVNCLI-IJLUTSLNSA-N 1 1 317.386 -1.401 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cnnn1 ZINC001089771550 775816108 /nfs/dbraw/zinc/81/61/08/775816108.db2.gz ZZISNTDDQNRGIT-YFKTTZPYSA-N 1 1 319.369 -1.673 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001212282065 775816352 /nfs/dbraw/zinc/81/63/52/775816352.db2.gz JFDWIWRRSWNHRT-HBNTYKKESA-N 1 1 314.346 -2.504 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818836 775817493 /nfs/dbraw/zinc/81/74/93/775817493.db2.gz YPELACHHHZRTBW-QCNOEVLYSA-N 1 1 319.369 -1.673 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nccn1 ZINC001089813947 775817603 /nfs/dbraw/zinc/81/76/03/775817603.db2.gz ZYQHJDVHIQOILO-LOWDOPEQSA-N 1 1 318.381 -1.068 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nccn1 ZINC001089813948 775817999 /nfs/dbraw/zinc/81/79/99/775817999.db2.gz ZYQHJDVHIQOILO-RNJOBUHISA-N 1 1 318.381 -1.068 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1nccnc1N ZINC001272696747 775818529 /nfs/dbraw/zinc/81/85/29/775818529.db2.gz YNGIXHBFAJPZFU-MRVPVSSYSA-N 1 1 305.346 -1.120 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1nccn1 ZINC001089813949 775818843 /nfs/dbraw/zinc/81/88/43/775818843.db2.gz ZYQHJDVHIQOILO-RVMXOQNASA-N 1 1 318.381 -1.068 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)on1 ZINC001127652812 775820015 /nfs/dbraw/zinc/82/00/15/775820015.db2.gz CXNKFYJWJJZZOP-UHFFFAOYSA-N 1 1 323.313 -1.720 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648758 775820776 /nfs/dbraw/zinc/82/07/76/775820776.db2.gz ZVJKWOLVFYCJSD-UHFFFAOYSA-N 1 1 308.306 -3.194 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653102 775821127 /nfs/dbraw/zinc/82/11/27/775821127.db2.gz LTQAIENBNDDTQH-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001127653601 775821581 /nfs/dbraw/zinc/82/15/81/775821581.db2.gz ZRBFUNPMBZSWEG-SSDOTTSWSA-N 1 1 321.345 -1.729 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)nn1 ZINC001089852172 775821745 /nfs/dbraw/zinc/82/17/45/775821745.db2.gz CBLIYTLOAGJMLX-SYEHKZFSSA-N 1 1 318.381 -1.031 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852927 775821784 /nfs/dbraw/zinc/82/17/84/775821784.db2.gz MMCTXZKSSIILKY-QCNOEVLYSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852928 775821993 /nfs/dbraw/zinc/82/19/93/775821993.db2.gz MMCTXZKSSIILKY-USZNOCQGSA-N 1 1 308.382 -1.271 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)[nH]1 ZINC001127653602 775822280 /nfs/dbraw/zinc/82/22/80/775822280.db2.gz ZRBFUNPMBZSWEG-ZETCQYMHSA-N 1 1 321.345 -1.729 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)nc1 ZINC001127653382 775822668 /nfs/dbraw/zinc/82/26/68/775822668.db2.gz UVVJYDGABQEHKZ-UHFFFAOYSA-N 1 1 318.341 -1.619 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001127653556 775822759 /nfs/dbraw/zinc/82/27/59/775822759.db2.gz XXSFEPIZJKICTR-UHFFFAOYSA-N 1 1 321.345 -2.106 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C(N)=O)CC2)C1 ZINC001089859613 775824849 /nfs/dbraw/zinc/82/48/49/775824849.db2.gz QQCFWNAAIPIUKX-BJDJZHNGSA-N 1 1 320.393 -1.094 20 0 DAADMO Cn1cnnc1C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860527 775826715 /nfs/dbraw/zinc/82/67/15/775826715.db2.gz XPVPSMOUQCVZJR-USZNOCQGSA-N 1 1 318.381 -1.031 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106965297 775827709 /nfs/dbraw/zinc/82/77/09/775827709.db2.gz SGTMTHLIPAJYCX-NXEZZACHSA-N 1 1 324.389 -1.547 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001124873556 775832097 /nfs/dbraw/zinc/83/20/97/775832097.db2.gz YAXDWQXUBLRGAV-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001124873233 775832544 /nfs/dbraw/zinc/83/25/44/775832544.db2.gz UGEHHCBFZNQZOD-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001124873233 775832552 /nfs/dbraw/zinc/83/25/52/775832552.db2.gz UGEHHCBFZNQZOD-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001125084816 775836828 /nfs/dbraw/zinc/83/68/28/775836828.db2.gz JWKUSCGIQPCUCD-UHFFFAOYSA-N 1 1 311.346 -1.894 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001125084747 775837086 /nfs/dbraw/zinc/83/70/86/775837086.db2.gz GPUZRUXHONYQKL-UHFFFAOYSA-N 1 1 303.326 -1.257 20 0 DAADMO CN(C)c1noc(CNCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125213621 775840694 /nfs/dbraw/zinc/84/06/94/775840694.db2.gz IWOQXOXALISLNQ-SNVBAGLBSA-N 1 1 312.374 -1.328 20 0 DAADMO CN(C)c1noc(CNCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125213621 775840701 /nfs/dbraw/zinc/84/07/01/775840701.db2.gz IWOQXOXALISLNQ-SNVBAGLBSA-N 1 1 312.374 -1.328 20 0 DAADMO CCCn1nnnc1CNCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220604 775842749 /nfs/dbraw/zinc/84/27/49/775842749.db2.gz KCJPOFYYNXRCNE-NSHDSACASA-N 1 1 311.390 -1.381 20 0 DAADMO CCCn1nnnc1CNCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220604 775842760 /nfs/dbraw/zinc/84/27/60/775842760.db2.gz KCJPOFYYNXRCNE-NSHDSACASA-N 1 1 311.390 -1.381 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107119483 775845775 /nfs/dbraw/zinc/84/57/75/775845775.db2.gz BZQPUIQHYQZGEW-UWVGGRQHSA-N 1 1 324.385 -1.344 20 0 DAADMO CC(=O)NCC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107117450 775845824 /nfs/dbraw/zinc/84/58/24/775845824.db2.gz UDEMLLBCPABHFV-SECBINFHSA-N 1 1 310.358 -1.732 20 0 DAADMO O=C(Cn1cnnn1)NCc1cn(C2C[NH+](CCCF)C2)nn1 ZINC001107125139 775847762 /nfs/dbraw/zinc/84/77/62/775847762.db2.gz LSWCUCNEQGBQPW-UHFFFAOYSA-N 1 1 323.336 -1.203 20 0 DAADMO O=C(Cn1ncnn1)NCc1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC001107172839 775850099 /nfs/dbraw/zinc/85/00/99/775850099.db2.gz OHVUUMKRQHTYPJ-UHFFFAOYSA-N 1 1 317.357 -1.152 20 0 DAADMO CNC(=O)CC(=O)NCc1cn(C2C[NH+]([C@H](C)COC)C2)nn1 ZINC001107161109 775850140 /nfs/dbraw/zinc/85/01/40/775850140.db2.gz YGZPNYZLEDSIPP-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO NC(=O)C(=O)NCc1cn(C2C[NH+](CC[C@@H]3CCCO3)C2)nn1 ZINC001107202238 775856074 /nfs/dbraw/zinc/85/60/74/775856074.db2.gz XYYFADVASOOVAL-LBPRGKRZSA-N 1 1 322.369 -1.195 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3CC(=O)NC3=O)nn2)C1 ZINC001107221061 775856346 /nfs/dbraw/zinc/85/63/46/775856346.db2.gz DKDYRYQGSHNFCA-UHFFFAOYSA-N 1 1 321.341 -1.677 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 ZINC001107219725 775856480 /nfs/dbraw/zinc/85/64/80/775856480.db2.gz UTKWTHJZOCEQFN-JTQLQIEISA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 ZINC001107242593 775858926 /nfs/dbraw/zinc/85/89/26/775858926.db2.gz VLZQCUMAXVKRCN-SNVBAGLBSA-N 1 1 324.385 -1.213 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 ZINC001107234876 775859051 /nfs/dbraw/zinc/85/90/51/775859051.db2.gz UWTNJHOUPNXHJI-JTQLQIEISA-N 1 1 320.357 -1.577 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001107226306 775859379 /nfs/dbraw/zinc/85/93/79/775859379.db2.gz QADNMXQQLAMDOP-UHFFFAOYSA-N 1 1 323.401 -1.422 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001107412228 775862153 /nfs/dbraw/zinc/86/21/53/775862153.db2.gz OOKSZSIRNPNHSA-BXUZGUMPSA-N 1 1 321.385 -1.220 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779267 775863213 /nfs/dbraw/zinc/86/32/13/775863213.db2.gz KJGITXRFNAXTRM-RYUDHWBXSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779972 775863363 /nfs/dbraw/zinc/86/33/63/775863363.db2.gz UOLIYJREQDZQSL-MNOVXSKESA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779266 775863962 /nfs/dbraw/zinc/86/39/62/775863962.db2.gz KJGITXRFNAXTRM-NWDGAFQWSA-N 1 1 308.386 -1.116 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107499971 775864074 /nfs/dbraw/zinc/86/40/74/775864074.db2.gz RRFNYXXUUUHJGO-CZUORRHYSA-N 1 1 324.425 -1.229 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780216 775864663 /nfs/dbraw/zinc/86/46/63/775864663.db2.gz XDYHPNXFDUBYFY-AAEUAGOBSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780216 775864674 /nfs/dbraw/zinc/86/46/74/775864674.db2.gz XDYHPNXFDUBYFY-AAEUAGOBSA-N 1 1 308.386 -1.116 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780054 775864786 /nfs/dbraw/zinc/86/47/86/775864786.db2.gz VERDFCOPPCSHMB-NWDGAFQWSA-N 1 1 319.427 -1.400 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780054 775864789 /nfs/dbraw/zinc/86/47/89/775864789.db2.gz VERDFCOPPCSHMB-NWDGAFQWSA-N 1 1 319.427 -1.400 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779910 775864827 /nfs/dbraw/zinc/86/48/27/775864827.db2.gz SRHOTISEDNXAMC-OLZOCXBDSA-N 1 1 308.386 -1.116 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724075 775869879 /nfs/dbraw/zinc/86/98/79/775869879.db2.gz JEWZOAPRUNTOHJ-ZWNOBZJWSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724075 775869887 /nfs/dbraw/zinc/86/98/87/775869887.db2.gz JEWZOAPRUNTOHJ-ZWNOBZJWSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724073 775869900 /nfs/dbraw/zinc/86/99/00/775869900.db2.gz JEWZOAPRUNTOHJ-GXFFZTMASA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724073 775869908 /nfs/dbraw/zinc/86/99/08/775869908.db2.gz JEWZOAPRUNTOHJ-GXFFZTMASA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697066 775870123 /nfs/dbraw/zinc/87/01/23/775870123.db2.gz ZBEKBOUXBMVSAL-JSGCOSHPSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697066 775870131 /nfs/dbraw/zinc/87/01/31/775870131.db2.gz ZBEKBOUXBMVSAL-JSGCOSHPSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697065 775870412 /nfs/dbraw/zinc/87/04/12/775870412.db2.gz ZBEKBOUXBMVSAL-GXTWGEPZSA-N 1 1 317.386 -1.663 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(C)=O)C1 ZINC001107697065 775870419 /nfs/dbraw/zinc/87/04/19/775870419.db2.gz ZBEKBOUXBMVSAL-GXTWGEPZSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@]1(CNC(=O)Cn2cnnn2)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107728341 775871280 /nfs/dbraw/zinc/87/12/80/775871280.db2.gz YWJYOIODSOEVLS-JSGCOSHPSA-N 1 1 324.385 -1.083 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724497 775871804 /nfs/dbraw/zinc/87/18/04/775871804.db2.gz RJBFYLFNJYURMX-ZWNOBZJWSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724497 775871816 /nfs/dbraw/zinc/87/18/16/775871816.db2.gz RJBFYLFNJYURMX-ZWNOBZJWSA-N 1 1 302.375 -1.103 20 0 DAADMO COCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107728361 775871989 /nfs/dbraw/zinc/87/19/89/775871989.db2.gz YZHJCGAOGPHXNN-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724857 775872355 /nfs/dbraw/zinc/87/23/55/775872355.db2.gz VYLRWVBNCDMNIU-ZWNOBZJWSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724857 775872358 /nfs/dbraw/zinc/87/23/58/775872358.db2.gz VYLRWVBNCDMNIU-ZWNOBZJWSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2COCCO2)C[N@H+](CCCO)CCO1 ZINC001107757665 775873448 /nfs/dbraw/zinc/87/34/48/775873448.db2.gz SAAZXQDUBJRXOU-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2COCCO2)C[N@@H+](CCCO)CCO1 ZINC001107757665 775873461 /nfs/dbraw/zinc/87/34/61/775873461.db2.gz SAAZXQDUBJRXOU-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127859429 775876849 /nfs/dbraw/zinc/87/68/49/775876849.db2.gz LCBXTKIWYAEYBI-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832155 775877560 /nfs/dbraw/zinc/87/75/60/775877560.db2.gz SZTDCXONRGLSQI-GXFFZTMASA-N 1 1 303.359 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832155 775877569 /nfs/dbraw/zinc/87/75/69/775877569.db2.gz SZTDCXONRGLSQI-GXFFZTMASA-N 1 1 303.359 -1.924 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127861769 775878155 /nfs/dbraw/zinc/87/81/55/775878155.db2.gz ZEQWAYKHVFEECF-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO NC(=O)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001127891935 775879713 /nfs/dbraw/zinc/87/97/13/775879713.db2.gz FLKIYTFUKGYSLD-JTQLQIEISA-N 1 1 321.337 -1.879 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001107839525 775879806 /nfs/dbraw/zinc/87/98/06/775879806.db2.gz OYJVFJVAXKQIGF-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)C1 ZINC001107839525 775879812 /nfs/dbraw/zinc/87/98/12/775879812.db2.gz OYJVFJVAXKQIGF-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840024 775880018 /nfs/dbraw/zinc/88/00/18/775880018.db2.gz ZVXNDSNJKYOCFJ-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840024 775880024 /nfs/dbraw/zinc/88/00/24/775880024.db2.gz ZVXNDSNJKYOCFJ-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@]1(CNC(=O)CC(N)=O)C[N@H+](CCn2cccn2)CCO1 ZINC001107831657 775880542 /nfs/dbraw/zinc/88/05/42/775880542.db2.gz HWCXINOGHCGJSL-CQSZACIVSA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@@]1(CNC(=O)CC(N)=O)C[N@@H+](CCn2cccn2)CCO1 ZINC001107831657 775880544 /nfs/dbraw/zinc/88/05/44/775880544.db2.gz HWCXINOGHCGJSL-CQSZACIVSA-N 1 1 309.370 -1.034 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107920679 775886488 /nfs/dbraw/zinc/88/64/88/775886488.db2.gz YXOKPIZZNDXUEK-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107920679 775886494 /nfs/dbraw/zinc/88/64/94/775886494.db2.gz YXOKPIZZNDXUEK-CYBMUJFWSA-N 1 1 302.375 -1.495 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001299267645 775888470 /nfs/dbraw/zinc/88/84/70/775888470.db2.gz XKMYABNAORKCCO-LLVKDONJSA-N 1 1 310.358 -1.396 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001299267645 775888474 /nfs/dbraw/zinc/88/84/74/775888474.db2.gz XKMYABNAORKCCO-LLVKDONJSA-N 1 1 310.358 -1.396 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107942440 775888858 /nfs/dbraw/zinc/88/88/58/775888858.db2.gz SGMIRJKXNUOJGW-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107942440 775888862 /nfs/dbraw/zinc/88/88/62/775888862.db2.gz SGMIRJKXNUOJGW-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107948129 775889884 /nfs/dbraw/zinc/88/98/84/775889884.db2.gz SLONIXGCBQKWSS-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107948129 775889892 /nfs/dbraw/zinc/88/98/92/775889892.db2.gz SLONIXGCBQKWSS-CYBMUJFWSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@]1(CNC(=O)Cn2ncnn2)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107948802 775890816 /nfs/dbraw/zinc/89/08/16/775890816.db2.gz YUQXSZFMTFYCMZ-JSGCOSHPSA-N 1 1 324.385 -1.083 20 0 DAADMO CCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952874 775891089 /nfs/dbraw/zinc/89/10/89/775891089.db2.gz MRYJFFGBSWNTOZ-CQSZACIVSA-N 1 1 324.385 -1.006 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107964051 775894451 /nfs/dbraw/zinc/89/44/51/775894451.db2.gz BRLCYNMNKHJTBR-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107964051 775894463 /nfs/dbraw/zinc/89/44/63/775894463.db2.gz BRLCYNMNKHJTBR-BXUZGUMPSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127983965 775895402 /nfs/dbraw/zinc/89/54/02/775895402.db2.gz GEZKODNNNZHNSV-JTQLQIEISA-N 1 1 324.385 -1.683 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1OC ZINC001212373465 775896826 /nfs/dbraw/zinc/89/68/26/775896826.db2.gz PMFSUKVBWGEYQS-HBNTYKKESA-N 1 1 318.374 -2.262 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001212369849 775897234 /nfs/dbraw/zinc/89/72/34/775897234.db2.gz CXFIMKMGCFYUGF-VXGBXAGGSA-N 1 1 324.385 -1.373 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001127993926 775898642 /nfs/dbraw/zinc/89/86/42/775898642.db2.gz ONUOOOSKRIWFRU-IUCAKERBSA-N 1 1 313.362 -1.872 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cnns1 ZINC001127999635 775899264 /nfs/dbraw/zinc/89/92/64/775899264.db2.gz SODKRTKSEMCGDS-QMMMGPOBSA-N 1 1 301.372 -1.105 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089924144 775900750 /nfs/dbraw/zinc/90/07/50/775900750.db2.gz MDLZIVYWOJEITN-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001292586294 775902475 /nfs/dbraw/zinc/90/24/75/775902475.db2.gz JLIYJWMBNKBMPY-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@H](O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032114 775903378 /nfs/dbraw/zinc/90/33/78/775903378.db2.gz BAJGMZCCLUGMDB-IUCAKERBSA-N 1 1 310.358 -1.945 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107982187 775903391 /nfs/dbraw/zinc/90/33/91/775903391.db2.gz QSTVXXWABBLHDV-GXFFZTMASA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107982187 775903399 /nfs/dbraw/zinc/90/33/99/775903399.db2.gz QSTVXXWABBLHDV-GXFFZTMASA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107982188 775903654 /nfs/dbraw/zinc/90/36/54/775903654.db2.gz QSTVXXWABBLHDV-MFKMUULPSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107982188 775903660 /nfs/dbraw/zinc/90/36/60/775903660.db2.gz QSTVXXWABBLHDV-MFKMUULPSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107981733 775903800 /nfs/dbraw/zinc/90/38/00/775903800.db2.gz DSTUKYLPKZRDJU-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107981733 775903811 /nfs/dbraw/zinc/90/38/11/775903811.db2.gz DSTUKYLPKZRDJU-ZDUSSCGKSA-N 1 1 302.375 -1.495 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099608083 775904401 /nfs/dbraw/zinc/90/44/01/775904401.db2.gz WAYHCOCLMZBDKG-MNOVXSKESA-N 1 1 323.340 -1.044 20 0 DAADMO COCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128033499 775905946 /nfs/dbraw/zinc/90/59/46/775905946.db2.gz XIQJSWJUVUQZHN-SECBINFHSA-N 1 1 310.358 -1.680 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611671 775906344 /nfs/dbraw/zinc/90/63/44/775906344.db2.gz VOXBEGKSKNNTCN-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611671 775906351 /nfs/dbraw/zinc/90/63/51/775906351.db2.gz VOXBEGKSKNNTCN-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@H](C)[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128048045 775907551 /nfs/dbraw/zinc/90/75/51/775907551.db2.gz KZXFTYZRIKWIHG-VHSXEESVSA-N 1 1 324.385 -1.291 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001099614505 775908272 /nfs/dbraw/zinc/90/82/72/775908272.db2.gz WFNDTPQPWMZFBU-RYUDHWBXSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001099614505 775908278 /nfs/dbraw/zinc/90/82/78/775908278.db2.gz WFNDTPQPWMZFBU-RYUDHWBXSA-N 1 1 316.402 -1.108 20 0 DAADMO O=C(N[C@@H]1CCc2nnc(C[NH2+]CCO)n2CC1)c1cnon1 ZINC001128048677 775908482 /nfs/dbraw/zinc/90/84/82/775908482.db2.gz OQWHPVYRPZTACB-SECBINFHSA-N 1 1 321.341 -1.122 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001099614504 775908686 /nfs/dbraw/zinc/90/86/86/775908686.db2.gz WFNDTPQPWMZFBU-NWDGAFQWSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001099614504 775908694 /nfs/dbraw/zinc/90/86/94/775908694.db2.gz WFNDTPQPWMZFBU-NWDGAFQWSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099618105 775911799 /nfs/dbraw/zinc/91/17/99/775911799.db2.gz OLHJXOJPDHORAV-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099618105 775911800 /nfs/dbraw/zinc/91/18/00/775911800.db2.gz OLHJXOJPDHORAV-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)on1 ZINC001128103697 775913430 /nfs/dbraw/zinc/91/34/30/775913430.db2.gz AOOBKIUJAADLTA-UHFFFAOYSA-N 1 1 303.340 -1.066 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2=O)C[N@H+](CCO)CCO1 ZINC001107996897 775914392 /nfs/dbraw/zinc/91/43/92/775914392.db2.gz LABWBIJOPWGGRQ-CQSZACIVSA-N 1 1 315.370 -1.955 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCOCC2=O)C[N@@H+](CCO)CCO1 ZINC001107996897 775914403 /nfs/dbraw/zinc/91/44/03/775914403.db2.gz LABWBIJOPWGGRQ-CQSZACIVSA-N 1 1 315.370 -1.955 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+](CCO)CC3(CCOCC3)C2)n1 ZINC001089951573 775916485 /nfs/dbraw/zinc/91/64/85/775916485.db2.gz MRJNSNLGUHDSMR-LLVKDONJSA-N 1 1 324.385 -1.197 20 0 DAADMO COc1ccc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)nn1 ZINC001128108829 775918091 /nfs/dbraw/zinc/91/80/91/775918091.db2.gz VXYRJGVSVQGGKG-UHFFFAOYSA-N 1 1 314.367 -1.264 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)cc1=O ZINC001108005360 775919605 /nfs/dbraw/zinc/91/96/05/775919605.db2.gz QKCOMHXMJLCRQM-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)cc1=O ZINC001108005360 775919610 /nfs/dbraw/zinc/91/96/10/775919610.db2.gz QKCOMHXMJLCRQM-HNNXBMFYSA-N 1 1 324.381 -1.017 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001108032245 775925766 /nfs/dbraw/zinc/92/57/66/775925766.db2.gz ROPUOKUEZUEUDO-AWEZNQCLSA-N 1 1 314.386 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001108032245 775925777 /nfs/dbraw/zinc/92/57/77/775925777.db2.gz ROPUOKUEZUEUDO-AWEZNQCLSA-N 1 1 314.386 -1.534 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001212438931 775928239 /nfs/dbraw/zinc/92/82/39/775928239.db2.gz LTMYAIAAKXTTNX-GHMZBOCLSA-N 1 1 317.386 -1.678 20 0 DAADMO C[C@]1(CNC(=O)C(=O)NCC(F)F)C[N@H+](CCCO)CCO1 ZINC001108039529 775931038 /nfs/dbraw/zinc/93/10/38/775931038.db2.gz CAORLWLPSGPKDB-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO C[C@]1(CNC(=O)C(=O)NCC(F)F)C[N@@H+](CCCO)CCO1 ZINC001108039529 775931048 /nfs/dbraw/zinc/93/10/48/775931048.db2.gz CAORLWLPSGPKDB-ZDUSSCGKSA-N 1 1 323.340 -1.043 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645604 775933438 /nfs/dbraw/zinc/93/34/38/775933438.db2.gz VMZZHRYYHDQJAV-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@]1(CNC(=O)c2cnn[nH]2)CN(CCOCCO)CCO1 ZINC001108044512 775933933 /nfs/dbraw/zinc/93/39/33/775933933.db2.gz SCGDYZPPZLTIQB-ZDUSSCGKSA-N 1 1 313.358 -1.366 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089977746 775934395 /nfs/dbraw/zinc/93/43/95/775934395.db2.gz XYCFZJXANIQTGO-NWDGAFQWSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001089977746 775934401 /nfs/dbraw/zinc/93/44/01/775934401.db2.gz XYCFZJXANIQTGO-NWDGAFQWSA-N 1 1 305.400 -1.407 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089982062 775937301 /nfs/dbraw/zinc/93/73/01/775937301.db2.gz VAGGUCVYYFKYQR-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089982062 775937310 /nfs/dbraw/zinc/93/73/10/775937310.db2.gz VAGGUCVYYFKYQR-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099647623 775943106 /nfs/dbraw/zinc/94/31/06/775943106.db2.gz HFLSGNJTYCHOJG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099647623 775943120 /nfs/dbraw/zinc/94/31/20/775943120.db2.gz HFLSGNJTYCHOJG-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C(F)F ZINC001089988234 775944730 /nfs/dbraw/zinc/94/47/30/775944730.db2.gz GJGWEPRUNIGGBX-DTWKUNHWSA-N 1 1 319.308 -1.048 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001089989487 775944888 /nfs/dbraw/zinc/94/48/88/775944888.db2.gz YGVKVDOJESSMQM-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C(F)F ZINC001089988236 775945120 /nfs/dbraw/zinc/94/51/20/775945120.db2.gz GJGWEPRUNIGGBX-RKDXNWHRSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C(F)F ZINC001089990305 775945295 /nfs/dbraw/zinc/94/52/95/775945295.db2.gz PNOIAUJANMPCRN-YUMQZZPRSA-N 1 1 320.296 -1.645 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032833946 775945728 /nfs/dbraw/zinc/94/57/28/775945728.db2.gz VAOZDOLDACONDR-SDDRHHMPSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032833946 775945736 /nfs/dbraw/zinc/94/57/36/775945736.db2.gz VAOZDOLDACONDR-SDDRHHMPSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089988246 775945908 /nfs/dbraw/zinc/94/59/08/775945908.db2.gz TYISMEZITUIZJA-RYUDHWBXSA-N 1 1 310.354 -1.845 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001089988246 775945914 /nfs/dbraw/zinc/94/59/14/775945914.db2.gz TYISMEZITUIZJA-RYUDHWBXSA-N 1 1 310.354 -1.845 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC001089994158 775948566 /nfs/dbraw/zinc/94/85/66/775948566.db2.gz UGDZSFXGOBFQQE-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1)N1CCOCC1 ZINC001089994158 775948575 /nfs/dbraw/zinc/94/85/75/775948575.db2.gz UGDZSFXGOBFQQE-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC001090032870 775954393 /nfs/dbraw/zinc/95/43/93/775954393.db2.gz USXXDWCUZNDYPU-NEPJUHHUSA-N 1 1 323.353 -1.282 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC001090032872 775954573 /nfs/dbraw/zinc/95/45/73/775954573.db2.gz USXXDWCUZNDYPU-RYUDHWBXSA-N 1 1 323.353 -1.282 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030812 775954660 /nfs/dbraw/zinc/95/46/60/775954660.db2.gz MHMRAYGBJSMODZ-GHMZBOCLSA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030812 775954673 /nfs/dbraw/zinc/95/46/73/775954673.db2.gz MHMRAYGBJSMODZ-GHMZBOCLSA-N 1 1 313.354 -1.486 20 0 DAADMO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820320 775955222 /nfs/dbraw/zinc/95/52/22/775955222.db2.gz GBGRZXZFYWRRHE-AXFHLTTASA-N 1 1 312.370 -1.208 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090049273 775955276 /nfs/dbraw/zinc/95/52/76/775955276.db2.gz JBRZNKXBZHRXJY-GXSJLCMTSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090049273 775955281 /nfs/dbraw/zinc/95/52/81/775955281.db2.gz JBRZNKXBZHRXJY-GXSJLCMTSA-N 1 1 323.353 -1.565 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820649 775955369 /nfs/dbraw/zinc/95/53/69/775955369.db2.gz YWLZJFSKWSLANF-YIZRAAEISA-N 1 1 300.315 -2.608 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090049276 775955448 /nfs/dbraw/zinc/95/54/48/775955448.db2.gz JBRZNKXBZHRXJY-ONGXEEELSA-N 1 1 323.353 -1.565 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090049276 775955459 /nfs/dbraw/zinc/95/54/59/775955459.db2.gz JBRZNKXBZHRXJY-ONGXEEELSA-N 1 1 323.353 -1.565 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1)N1CCC1 ZINC001090039682 775955783 /nfs/dbraw/zinc/95/57/83/775955783.db2.gz XGBKVFATADHDRZ-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1)N1CCC1 ZINC001090039682 775955793 /nfs/dbraw/zinc/95/57/93/775955793.db2.gz XGBKVFATADHDRZ-AAEUAGOBSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820460 775955909 /nfs/dbraw/zinc/95/59/09/775955909.db2.gz NXIPSGPJPVQRTG-AXFHLTTASA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820654 775956200 /nfs/dbraw/zinc/95/62/00/775956200.db2.gz ZDBRTIOYINTAQD-AXFHLTTASA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC001090039683 775956252 /nfs/dbraw/zinc/95/62/52/775956252.db2.gz XGBKVFATADHDRZ-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1)N1CCC1 ZINC001090039683 775956263 /nfs/dbraw/zinc/95/62/63/775956263.db2.gz XGBKVFATADHDRZ-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090047397 775956591 /nfs/dbraw/zinc/95/65/91/775956591.db2.gz SRMMCOVIOFDMHD-STQMWFEESA-N 1 1 322.365 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001090047397 775956598 /nfs/dbraw/zinc/95/65/98/775956598.db2.gz SRMMCOVIOFDMHD-STQMWFEESA-N 1 1 322.365 -1.427 20 0 DAADMO CCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1=O ZINC001083820732 775957693 /nfs/dbraw/zinc/95/76/93/775957693.db2.gz CCYPSGAVIASREC-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001090055556 775957922 /nfs/dbraw/zinc/95/79/22/775957922.db2.gz UWERCNVZMLHUAP-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001090055558 775958235 /nfs/dbraw/zinc/95/82/35/775958235.db2.gz UWERCNVZMLHUAP-STQMWFEESA-N 1 1 324.385 -1.349 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC001090054078 775959636 /nfs/dbraw/zinc/95/96/36/775959636.db2.gz HGQJVNNUOGRXIM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC001090054078 775959644 /nfs/dbraw/zinc/95/96/44/775959644.db2.gz HGQJVNNUOGRXIM-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001090055680 775960048 /nfs/dbraw/zinc/96/00/48/775960048.db2.gz XDPOFWRIMNGGQD-MNOVXSKESA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1O ZINC001090055680 775960052 /nfs/dbraw/zinc/96/00/52/775960052.db2.gz XDPOFWRIMNGGQD-MNOVXSKESA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090056889 775960791 /nfs/dbraw/zinc/96/07/91/775960791.db2.gz IPTWHWCVFILSCG-QWRGUYRKSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090056889 775960801 /nfs/dbraw/zinc/96/08/01/775960801.db2.gz IPTWHWCVFILSCG-QWRGUYRKSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090056875 775962091 /nfs/dbraw/zinc/96/20/91/775962091.db2.gz IPTWHWCVFILSCG-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090056875 775962099 /nfs/dbraw/zinc/96/20/99/775962099.db2.gz IPTWHWCVFILSCG-GHMZBOCLSA-N 1 1 323.357 -2.543 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)on1 ZINC001090059564 775962627 /nfs/dbraw/zinc/96/26/27/775962627.db2.gz XKPXNAYWIWMJKU-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)on1 ZINC001090059564 775962634 /nfs/dbraw/zinc/96/26/34/775962634.db2.gz XKPXNAYWIWMJKU-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)on1 ZINC001090059566 775962707 /nfs/dbraw/zinc/96/27/07/775962707.db2.gz XKPXNAYWIWMJKU-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)on1 ZINC001090059566 775962710 /nfs/dbraw/zinc/96/27/10/775962710.db2.gz XKPXNAYWIWMJKU-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099652038 775962774 /nfs/dbraw/zinc/96/27/74/775962774.db2.gz XNXSKKIAAASNSL-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)on1 ZINC001090059559 775963245 /nfs/dbraw/zinc/96/32/45/775963245.db2.gz XKPXNAYWIWMJKU-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)on1 ZINC001090059559 775963256 /nfs/dbraw/zinc/96/32/56/775963256.db2.gz XKPXNAYWIWMJKU-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001090059209 775963285 /nfs/dbraw/zinc/96/32/85/775963285.db2.gz FDZXFAZUAFBNEY-OLZOCXBDSA-N 1 1 319.369 -1.123 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651902 775963684 /nfs/dbraw/zinc/96/36/84/775963684.db2.gz XGJQARWVJCVKAB-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099652044 775963706 /nfs/dbraw/zinc/96/37/06/775963706.db2.gz XNXSKKIAAASNSL-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001090058829 775963931 /nfs/dbraw/zinc/96/39/31/775963931.db2.gz VFCCUOWTFJOQFS-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001090058829 775963941 /nfs/dbraw/zinc/96/39/41/775963941.db2.gz VFCCUOWTFJOQFS-STQMWFEESA-N 1 1 317.353 -1.180 20 0 DAADMO CSCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099655241 775967314 /nfs/dbraw/zinc/96/73/14/775967314.db2.gz YHFOFYJOLHSTNY-WDEREUQCSA-N 1 1 316.427 -1.074 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083824037 775967431 /nfs/dbraw/zinc/96/74/31/775967431.db2.gz APBRCAFGCTYDJS-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083824037 775967442 /nfs/dbraw/zinc/96/74/42/775967442.db2.gz APBRCAFGCTYDJS-OLZOCXBDSA-N 1 1 319.369 -1.355 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c(=O)c1 ZINC001083823480 775967520 /nfs/dbraw/zinc/96/75/20/775967520.db2.gz ZEKUKOCKFQPEHI-OLZOCXBDSA-N 1 1 309.366 -1.300 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090080647 775967961 /nfs/dbraw/zinc/96/79/61/775967961.db2.gz XDDFGUGYBJXDJI-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001090086254 775969410 /nfs/dbraw/zinc/96/94/10/775969410.db2.gz DKCVKSQFPUZYQL-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)NC[C@H]1CCCO1 ZINC001168731869 775971756 /nfs/dbraw/zinc/97/17/56/775971756.db2.gz RRJXCDSBDAUIPV-SNVBAGLBSA-N 1 1 310.358 -1.191 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)NC[C@H]1CCCO1 ZINC001168731869 775971767 /nfs/dbraw/zinc/97/17/67/775971767.db2.gz RRJXCDSBDAUIPV-SNVBAGLBSA-N 1 1 310.358 -1.191 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001083829365 775971901 /nfs/dbraw/zinc/97/19/01/775971901.db2.gz LIUPDTYQIPCIQG-SFYZADRCSA-N 1 1 314.298 -3.439 20 0 DAADMO COCCOCN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070686 775976697 /nfs/dbraw/zinc/97/66/97/775976697.db2.gz ZNJDGRHYSGCYEJ-MJBXVCDLSA-N 1 1 313.398 -1.041 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069990 775976969 /nfs/dbraw/zinc/97/69/69/775976969.db2.gz OXZRWRKXDZIIHN-HZSPNIEDSA-N 1 1 324.425 -1.326 20 0 DAADMO COCCOCN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069037 775977300 /nfs/dbraw/zinc/97/73/00/775977300.db2.gz FHROQMHTXJXXPA-ZDUSSCGKSA-N 1 1 313.398 -1.182 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070170 775977549 /nfs/dbraw/zinc/97/75/49/775977549.db2.gz UBJNMNAEULGONL-MJBXVCDLSA-N 1 1 324.425 -1.184 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc(C2CC2)[nH]c1=O ZINC001083839791 775978115 /nfs/dbraw/zinc/97/81/15/775978115.db2.gz QKHRNJUTIPNQDE-MNOVXSKESA-N 1 1 308.338 -1.173 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090105860 775981631 /nfs/dbraw/zinc/98/16/31/775981631.db2.gz YGZUBHKHKZCOPO-PWSUYJOCSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090105860 775981635 /nfs/dbraw/zinc/98/16/35/775981635.db2.gz YGZUBHKHKZCOPO-PWSUYJOCSA-N 1 1 307.354 -1.193 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC001090112060 775984116 /nfs/dbraw/zinc/98/41/16/775984116.db2.gz OLVQTNMLGCPERE-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1 ZINC001090112060 775984126 /nfs/dbraw/zinc/98/41/26/775984126.db2.gz OLVQTNMLGCPERE-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccon1 ZINC001090112408 775984572 /nfs/dbraw/zinc/98/45/72/775984572.db2.gz PKNKESLZXRFLEE-CMPLNLGQSA-N 1 1 323.353 -1.135 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC[N@H+](CCN(C)C)C2)OCC1=O ZINC001273107769 775984646 /nfs/dbraw/zinc/98/46/46/775984646.db2.gz IUHYAMBVRANCER-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC[N@@H+](CCN(C)C)C2)OCC1=O ZINC001273107769 775984652 /nfs/dbraw/zinc/98/46/52/775984652.db2.gz IUHYAMBVRANCER-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099665530 775985511 /nfs/dbraw/zinc/98/55/11/775985511.db2.gz IUJXRGQSYKSJQP-RKDXNWHRSA-N 1 1 324.328 -1.512 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001083848918 775985634 /nfs/dbraw/zinc/98/56/34/775985634.db2.gz FCHCEWSXUWVYAW-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001083848918 775985643 /nfs/dbraw/zinc/98/56/43/775985643.db2.gz FCHCEWSXUWVYAW-MNOVXSKESA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083848284 775985784 /nfs/dbraw/zinc/98/57/84/775985784.db2.gz UXEIQEYVEJFRSZ-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083848284 775985794 /nfs/dbraw/zinc/98/57/94/775985794.db2.gz UXEIQEYVEJFRSZ-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC001090117464 775985838 /nfs/dbraw/zinc/98/58/38/775985838.db2.gz BVZIZBNGZHNABD-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC001090117464 775985847 /nfs/dbraw/zinc/98/58/47/775985847.db2.gz BVZIZBNGZHNABD-AAEUAGOBSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)COCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099665277 775986005 /nfs/dbraw/zinc/98/60/05/775986005.db2.gz DONAAYOXWDFDFT-RYUDHWBXSA-N 1 1 316.402 -1.121 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099665079 775986371 /nfs/dbraw/zinc/98/63/71/775986371.db2.gz ABLVNULVCZRHTD-NXEZZACHSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099665079 775986384 /nfs/dbraw/zinc/98/63/84/775986384.db2.gz ABLVNULVCZRHTD-NXEZZACHSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099665528 775986674 /nfs/dbraw/zinc/98/66/74/775986674.db2.gz IUJXRGQSYKSJQP-DTWKUNHWSA-N 1 1 324.328 -1.512 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666462 775987109 /nfs/dbraw/zinc/98/71/09/775987109.db2.gz WLSGOHBTTANZDV-RKDXNWHRSA-N 1 1 301.347 -2.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666462 775987115 /nfs/dbraw/zinc/98/71/15/775987115.db2.gz WLSGOHBTTANZDV-RKDXNWHRSA-N 1 1 301.347 -2.706 20 0 DAADMO [NH3+]Cc1ncn(-c2ccc(C(=O)N3CCNC(=O)C3)cn2)n1 ZINC001168749976 775987327 /nfs/dbraw/zinc/98/73/27/775987327.db2.gz IQJXIHQEQLTNJF-UHFFFAOYSA-N 1 1 301.310 -1.307 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108097300 775987634 /nfs/dbraw/zinc/98/76/34/775987634.db2.gz FSILVSLEMIKABS-LLVKDONJSA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108097300 775987642 /nfs/dbraw/zinc/98/76/42/775987642.db2.gz FSILVSLEMIKABS-LLVKDONJSA-N 1 1 324.403 -2.760 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090129040 775988754 /nfs/dbraw/zinc/98/87/54/775988754.db2.gz KFRNGVHVDCCYAG-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090129040 775988762 /nfs/dbraw/zinc/98/87/62/775988762.db2.gz KFRNGVHVDCCYAG-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853028 775990289 /nfs/dbraw/zinc/99/02/89/775990289.db2.gz XTJVTILJORPJAY-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853501 775991018 /nfs/dbraw/zinc/99/10/18/775991018.db2.gz ZGSBGVOLGHYSKC-WOPDTQHZSA-N 1 1 319.427 -1.162 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083852887 775991434 /nfs/dbraw/zinc/99/14/34/775991434.db2.gz QTAKTZZAOYUVTA-VWYCJHECSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083852887 775991439 /nfs/dbraw/zinc/99/14/39/775991439.db2.gz QTAKTZZAOYUVTA-VWYCJHECSA-N 1 1 321.399 -2.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001083853705 775992371 /nfs/dbraw/zinc/99/23/71/775992371.db2.gz JBOAENVLUQDNLU-YIYPIFLZSA-N 1 1 324.381 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001083853705 775992376 /nfs/dbraw/zinc/99/23/76/775992376.db2.gz JBOAENVLUQDNLU-YIYPIFLZSA-N 1 1 324.381 -1.558 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001128594640 775992480 /nfs/dbraw/zinc/99/24/80/775992480.db2.gz IXSCFFUWXFMGJZ-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)n1 ZINC001128601058 775992498 /nfs/dbraw/zinc/99/24/98/775992498.db2.gz JHJVDROHKZHFTQ-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nccn1C ZINC001128594687 775992866 /nfs/dbraw/zinc/99/28/66/775992866.db2.gz KCESOFGNBPFCJO-UHFFFAOYSA-N 1 1 303.388 -1.435 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CNS(=O)(=O)CC)n1 ZINC001128595155 775995426 /nfs/dbraw/zinc/99/54/26/775995426.db2.gz SPBGVFDLGPDHFQ-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCNS(C)(=O)=O)c1nnnn1C ZINC001128603754 775996510 /nfs/dbraw/zinc/99/65/10/775996510.db2.gz MZPUGQLHPQDBJF-MRVPVSSYSA-N 1 1 319.391 -2.084 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001128604335 775996980 /nfs/dbraw/zinc/99/69/80/775996980.db2.gz VQXGQEIBGJYJKY-UHFFFAOYSA-N 1 1 304.376 -1.790 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)nn1 ZINC001128608762 775997498 /nfs/dbraw/zinc/99/74/98/775997498.db2.gz ALYHBBMWGQXIBH-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCNS(C)(=O)=O)c1nncn1C ZINC001128608917 775997570 /nfs/dbraw/zinc/99/75/70/775997570.db2.gz GIPJLEMJAHPJCZ-SECBINFHSA-N 1 1 318.403 -1.479 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001128603180 775997780 /nfs/dbraw/zinc/99/77/80/775997780.db2.gz BPJJOYRUEUXOTO-QMMMGPOBSA-N 1 1 318.403 -1.229 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1n1ccnn1 ZINC001128613008 775998850 /nfs/dbraw/zinc/99/88/50/775998850.db2.gz YVYCIMGNTMNUTG-TUAOUCFPSA-N 1 1 313.358 -1.727 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1nccn1C)S(C)(=O)=O ZINC001128613521 775999082 /nfs/dbraw/zinc/99/90/82/775999082.db2.gz DGMCVAUMSNUOES-UHFFFAOYSA-N 1 1 303.388 -1.483 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CCNS(C)(=O)=O)[nH]1 ZINC001128608930 775999625 /nfs/dbraw/zinc/99/96/25/775999625.db2.gz GYTJNWWEFLWCFP-QMMMGPOBSA-N 1 1 318.403 -1.181 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN(C)C(=O)COC)n1 ZINC001128619377 776001587 /nfs/dbraw/zinc/00/15/87/776001587.db2.gz WIQYCCZDPHZNMQ-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128646623 776003843 /nfs/dbraw/zinc/00/38/43/776003843.db2.gz CSERYJJSGMLEOA-RTXFEEFZSA-N 1 1 324.385 -1.209 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128647724 776004875 /nfs/dbraw/zinc/00/48/75/776004875.db2.gz XAHAFZORPKJUKU-RTXFEEFZSA-N 1 1 324.385 -1.209 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)CC1=O ZINC001128649095 776005405 /nfs/dbraw/zinc/00/54/05/776005405.db2.gz AAIOXBBFZBUOSD-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO COCCN1C[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)CC1=O ZINC001128651409 776005510 /nfs/dbraw/zinc/00/55/10/776005510.db2.gz VFAGCUWZXVDFMF-NSHDSACASA-N 1 1 324.385 -1.484 20 0 DAADMO COCC(=O)NCCC(=O)NCC[NH2+]Cc1cnns1 ZINC001128692194 776008406 /nfs/dbraw/zinc/00/84/06/776008406.db2.gz WIGLKVGBWQXZGY-UHFFFAOYSA-N 1 1 301.372 -1.103 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128686561 776009282 /nfs/dbraw/zinc/00/92/82/776009282.db2.gz SIQQCEMMJIKXSE-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128682128 776009561 /nfs/dbraw/zinc/00/95/61/776009561.db2.gz VZESSKXLJIUOLR-ZJUUUORDSA-N 1 1 311.346 -2.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CC2(C1)NC(=O)NC2=O ZINC001083854798 776009712 /nfs/dbraw/zinc/00/97/12/776009712.db2.gz JNWCYNWSUAVZNP-PYYZTYOOSA-N 1 1 312.326 -2.872 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)N1C(=O)CCC1=O ZINC001128719537 776011008 /nfs/dbraw/zinc/01/10/08/776011008.db2.gz FFLSSKVDMNBHBI-SECBINFHSA-N 1 1 308.342 -1.442 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C)N2C(=O)CCC2=O)[nH]1 ZINC001128719149 776011592 /nfs/dbraw/zinc/01/15/92/776011592.db2.gz BUUSNESHTJBSFU-MRVPVSSYSA-N 1 1 308.342 -1.144 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)c1nnnn1C ZINC001128720433 776011757 /nfs/dbraw/zinc/01/17/57/776011757.db2.gz MRNDWSYCVCLHPV-RKDXNWHRSA-N 1 1 323.357 -1.486 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128723935 776013396 /nfs/dbraw/zinc/01/33/96/776013396.db2.gz MIVFCCQCTDHDDC-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128723935 776013401 /nfs/dbraw/zinc/01/34/01/776013401.db2.gz MIVFCCQCTDHDDC-OLZOCXBDSA-N 1 1 319.369 -1.101 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCn1ccccc1=O ZINC001128715283 776014093 /nfs/dbraw/zinc/01/40/93/776014093.db2.gz GJSBOPYGPMIVBH-UHFFFAOYSA-N 1 1 305.342 -1.332 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCCN1C(=O)CCC1=O ZINC001128753280 776015942 /nfs/dbraw/zinc/01/59/42/776015942.db2.gz QUGZVCGDLLLIRE-UHFFFAOYSA-N 1 1 322.369 -1.050 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128752132 776016165 /nfs/dbraw/zinc/01/61/65/776016165.db2.gz CYTNAWSPZBXRBJ-NEPJUHHUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128752132 776016179 /nfs/dbraw/zinc/01/61/79/776016179.db2.gz CYTNAWSPZBXRBJ-NEPJUHHUSA-N 1 1 322.369 -1.862 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2cnns2)c1=O ZINC001128764063 776017904 /nfs/dbraw/zinc/01/79/04/776017904.db2.gz PLVFOBLBBILVQJ-UHFFFAOYSA-N 1 1 324.366 -1.696 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001128788862 776020885 /nfs/dbraw/zinc/02/08/85/776020885.db2.gz AKEFFRQXMQUWOH-UHFFFAOYSA-N 1 1 312.378 -1.437 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC001090159785 776021649 /nfs/dbraw/zinc/02/16/49/776021649.db2.gz WGHZRAWERYHESY-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nnn1C ZINC001090159785 776021653 /nfs/dbraw/zinc/02/16/53/776021653.db2.gz WGHZRAWERYHESY-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090159395 776022148 /nfs/dbraw/zinc/02/21/48/776022148.db2.gz TVYDHNRHOPXGMJ-STQMWFEESA-N 1 1 319.369 -1.205 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128813990 776025064 /nfs/dbraw/zinc/02/50/64/776025064.db2.gz JGXAPSNMKAIOOB-UHFFFAOYSA-N 1 1 317.375 -2.549 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[NH2+]Cc1cnns1 ZINC001128823568 776025153 /nfs/dbraw/zinc/02/51/53/776025153.db2.gz NZWPLQRVPOHCDD-UHFFFAOYSA-N 1 1 319.412 -1.221 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814370 776025715 /nfs/dbraw/zinc/02/57/15/776025715.db2.gz PAKWOSUASYFSJN-UHFFFAOYSA-N 1 1 316.387 -1.944 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC001090187851 776026938 /nfs/dbraw/zinc/02/69/38/776026938.db2.gz BMZBNXUSZIWKMU-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC001090187851 776026947 /nfs/dbraw/zinc/02/69/47/776026947.db2.gz BMZBNXUSZIWKMU-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC001090187846 776027063 /nfs/dbraw/zinc/02/70/63/776027063.db2.gz BMZBNXUSZIWKMU-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)c1 ZINC001090187846 776027072 /nfs/dbraw/zinc/02/70/72/776027072.db2.gz BMZBNXUSZIWKMU-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128838437 776029346 /nfs/dbraw/zinc/02/93/46/776029346.db2.gz CRESWYPTKNDQFM-MNOVXSKESA-N 1 1 310.358 -1.862 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128838437 776029356 /nfs/dbraw/zinc/02/93/56/776029356.db2.gz CRESWYPTKNDQFM-MNOVXSKESA-N 1 1 310.358 -1.862 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128834820 776029399 /nfs/dbraw/zinc/02/93/99/776029399.db2.gz SGRNQEWJOSFSGS-NEPJUHHUSA-N 1 1 313.358 -1.725 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128834820 776029407 /nfs/dbraw/zinc/02/94/07/776029407.db2.gz SGRNQEWJOSFSGS-NEPJUHHUSA-N 1 1 313.358 -1.725 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083859914 776030370 /nfs/dbraw/zinc/03/03/70/776030370.db2.gz PRACFHOOVNYCMN-OLZOCXBDSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)n1 ZINC001083859914 776030376 /nfs/dbraw/zinc/03/03/76/776030376.db2.gz PRACFHOOVNYCMN-OLZOCXBDSA-N 1 1 319.369 -1.434 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128861061 776030425 /nfs/dbraw/zinc/03/04/25/776030425.db2.gz QVOAHNGOEXCCGK-UTUOFQBUSA-N 1 1 324.385 -1.344 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090204101 776033483 /nfs/dbraw/zinc/03/34/83/776033483.db2.gz MTNMWYMVZZNXDJ-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001128938908 776036254 /nfs/dbraw/zinc/03/62/54/776036254.db2.gz CPHJEKKQBPAQIE-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128935312 776036689 /nfs/dbraw/zinc/03/66/89/776036689.db2.gz UIVPUUVILCVJNU-AEJSXWLSSA-N 1 1 311.346 -2.331 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128935312 776036698 /nfs/dbraw/zinc/03/66/98/776036698.db2.gz UIVPUUVILCVJNU-AEJSXWLSSA-N 1 1 311.346 -2.331 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC001090215667 776038480 /nfs/dbraw/zinc/03/84/80/776038480.db2.gz IAVKFYHCJOBUFE-STQMWFEESA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090229605 776040468 /nfs/dbraw/zinc/04/04/68/776040468.db2.gz CZRWXKMKTZMEIJ-OLZOCXBDSA-N 1 1 321.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001090229605 776040480 /nfs/dbraw/zinc/04/04/80/776040480.db2.gz CZRWXKMKTZMEIJ-OLZOCXBDSA-N 1 1 321.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090226999 776041286 /nfs/dbraw/zinc/04/12/86/776041286.db2.gz FSNLDJVTGMAOBK-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001090226999 776041290 /nfs/dbraw/zinc/04/12/90/776041290.db2.gz FSNLDJVTGMAOBK-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001090236903 776042589 /nfs/dbraw/zinc/04/25/89/776042589.db2.gz KIGKKURAIWUZAO-WCQYABFASA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ncc[nH]1 ZINC001090238173 776042959 /nfs/dbraw/zinc/04/29/59/776042959.db2.gz VFOJWUIJXGOTOA-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090228759 776043408 /nfs/dbraw/zinc/04/34/08/776043408.db2.gz UBKWPBQIWXQKNN-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cn(C)nn3)[C@H](O)C2)cn1 ZINC001090228759 776043411 /nfs/dbraw/zinc/04/34/11/776043411.db2.gz UBKWPBQIWXQKNN-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090241566 776044732 /nfs/dbraw/zinc/04/47/32/776044732.db2.gz SYZHLTGMMFXCMB-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090241566 776044739 /nfs/dbraw/zinc/04/47/39/776044739.db2.gz SYZHLTGMMFXCMB-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001090242207 776045721 /nfs/dbraw/zinc/04/57/21/776045721.db2.gz WJFDLJXMXNTKNZ-JQWIXIFHSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC001090246325 776046526 /nfs/dbraw/zinc/04/65/26/776046526.db2.gz JMJKHWJOLMQBAC-RYUDHWBXSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC001090246325 776046534 /nfs/dbraw/zinc/04/65/34/776046534.db2.gz JMJKHWJOLMQBAC-RYUDHWBXSA-N 1 1 319.369 -1.086 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864493 776048139 /nfs/dbraw/zinc/04/81/39/776048139.db2.gz RGKLJNMLMZKHKV-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864493 776048148 /nfs/dbraw/zinc/04/81/48/776048148.db2.gz RGKLJNMLMZKHKV-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090251667 776048292 /nfs/dbraw/zinc/04/82/92/776048292.db2.gz KBPXXIFZKCOZKI-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090251667 776048300 /nfs/dbraw/zinc/04/83/00/776048300.db2.gz KBPXXIFZKCOZKI-MNOVXSKESA-N 1 1 309.370 -1.029 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090250057 776048452 /nfs/dbraw/zinc/04/84/52/776048452.db2.gz VUWSYGWWEXWRPH-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1nncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090250057 776048457 /nfs/dbraw/zinc/04/84/57/776048457.db2.gz VUWSYGWWEXWRPH-CMPLNLGQSA-N 1 1 324.385 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001090252424 776050159 /nfs/dbraw/zinc/05/01/59/776050159.db2.gz SXTQJEIJKIEVTF-MNOVXSKESA-N 1 1 322.369 -1.400 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090255367 776050369 /nfs/dbraw/zinc/05/03/69/776050369.db2.gz FCHGBDODONXCCW-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129038165 776050460 /nfs/dbraw/zinc/05/04/60/776050460.db2.gz SWFJXYIISPMIAR-NEPJUHHUSA-N 1 1 321.385 -1.041 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129038366 776050564 /nfs/dbraw/zinc/05/05/64/776050564.db2.gz YSQGYSJKFLWIPX-ZJUUUORDSA-N 1 1 311.346 -2.459 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129038366 776050568 /nfs/dbraw/zinc/05/05/68/776050568.db2.gz YSQGYSJKFLWIPX-ZJUUUORDSA-N 1 1 311.346 -2.459 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099683617 776050972 /nfs/dbraw/zinc/05/09/72/776050972.db2.gz GBKHZENJDGMPCW-ZIAGYGMSSA-N 1 1 316.398 -1.027 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129031815 776051201 /nfs/dbraw/zinc/05/12/01/776051201.db2.gz HAPFWUFEXQWIRP-UTUOFQBUSA-N 1 1 324.385 -1.473 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129031815 776051207 /nfs/dbraw/zinc/05/12/07/776051207.db2.gz HAPFWUFEXQWIRP-UTUOFQBUSA-N 1 1 324.385 -1.473 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090258796 776052394 /nfs/dbraw/zinc/05/23/94/776052394.db2.gz PRYQYRKUDNWCFE-GHMZBOCLSA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090258796 776052399 /nfs/dbraw/zinc/05/23/99/776052399.db2.gz PRYQYRKUDNWCFE-GHMZBOCLSA-N 1 1 324.385 -1.705 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228593 776054588 /nfs/dbraw/zinc/05/45/88/776054588.db2.gz YWADSNABLTWQIQ-XQQFMLRXSA-N 1 1 310.402 -1.048 20 0 DAADMO C[C@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228593 776054595 /nfs/dbraw/zinc/05/45/95/776054595.db2.gz YWADSNABLTWQIQ-XQQFMLRXSA-N 1 1 310.402 -1.048 20 0 DAADMO CO[C@H]1COCC[C@@H]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001129213039 776054626 /nfs/dbraw/zinc/05/46/26/776054626.db2.gz LCCMJKCKDLJDIG-MNOVXSKESA-N 1 1 312.374 -1.143 20 0 DAADMO CO[C@@H]1COCC[C@H]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001129213041 776055167 /nfs/dbraw/zinc/05/51/67/776055167.db2.gz LCCMJKCKDLJDIG-WDEREUQCSA-N 1 1 312.374 -1.143 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083869167 776055850 /nfs/dbraw/zinc/05/58/50/776055850.db2.gz QLRAEBZFTPNCBH-BDAKNGLRSA-N 1 1 300.315 -2.918 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869272 776056312 /nfs/dbraw/zinc/05/63/12/776056312.db2.gz WQUXQIHJVXMIGE-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869084 776057057 /nfs/dbraw/zinc/05/70/57/776057057.db2.gz NAKMMBOKCKIDGU-MNOVXSKESA-N 1 1 310.354 -1.334 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001090262815 776057832 /nfs/dbraw/zinc/05/78/32/776057832.db2.gz UIKFEMNYUCCFJU-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)[C@H](O)C1 ZINC001090262815 776057841 /nfs/dbraw/zinc/05/78/41/776057841.db2.gz UIKFEMNYUCCFJU-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO O=C(N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O)c1ncn[nH]1 ZINC001083873914 776059869 /nfs/dbraw/zinc/05/98/69/776059869.db2.gz WGTHFPOTNFSXLL-ZJUUUORDSA-N 1 1 308.342 -1.798 20 0 DAADMO O=C(N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O)c1nc[nH]n1 ZINC001083873914 776059873 /nfs/dbraw/zinc/05/98/73/776059873.db2.gz WGTHFPOTNFSXLL-ZJUUUORDSA-N 1 1 308.342 -1.798 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108167723 776061467 /nfs/dbraw/zinc/06/14/67/776061467.db2.gz PDBJIFRCXTZIKY-ZWNOBZJWSA-N 1 1 300.359 -1.479 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108167723 776061474 /nfs/dbraw/zinc/06/14/74/776061474.db2.gz PDBJIFRCXTZIKY-ZWNOBZJWSA-N 1 1 300.359 -1.479 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cnon1 ZINC001083876483 776064666 /nfs/dbraw/zinc/06/46/66/776064666.db2.gz DWVJHZCOXBVJJE-JLLWLGSASA-N 1 1 323.353 -1.239 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090267254 776065156 /nfs/dbraw/zinc/06/51/56/776065156.db2.gz AHVWDBWIFDKWRT-WDEREUQCSA-N 1 1 321.345 -2.484 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267629 776065200 /nfs/dbraw/zinc/06/52/00/776065200.db2.gz CFLFKHGURKOMPM-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267629 776065203 /nfs/dbraw/zinc/06/52/03/776065203.db2.gz CFLFKHGURKOMPM-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001090268734 776066596 /nfs/dbraw/zinc/06/65/96/776066596.db2.gz OIUDZTNHTYHJQO-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001090268737 776067239 /nfs/dbraw/zinc/06/72/39/776067239.db2.gz OIUDZTNHTYHJQO-QWHCGFSZSA-N 1 1 324.385 -1.349 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268503 776067268 /nfs/dbraw/zinc/06/72/68/776067268.db2.gz MIZVRRIKEXFRIK-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268503 776067273 /nfs/dbraw/zinc/06/72/73/776067273.db2.gz MIZVRRIKEXFRIK-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO C[C@]1(CNC(=O)CCCS(N)(=O)=O)C[N@H+](CCO)CCO1 ZINC001108171977 776067965 /nfs/dbraw/zinc/06/79/65/776067965.db2.gz WJTIXEUKOSEODN-LBPRGKRZSA-N 1 1 323.415 -1.746 20 0 DAADMO C[C@]1(CNC(=O)CCCS(N)(=O)=O)C[N@@H+](CCO)CCO1 ZINC001108171977 776067971 /nfs/dbraw/zinc/06/79/71/776067971.db2.gz WJTIXEUKOSEODN-LBPRGKRZSA-N 1 1 323.415 -1.746 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cc1=O ZINC001083878012 776068029 /nfs/dbraw/zinc/06/80/29/776068029.db2.gz XXMHVZNCYCHCDF-NEPJUHHUSA-N 1 1 319.321 -1.257 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cc1=O ZINC001083878012 776068041 /nfs/dbraw/zinc/06/80/41/776068041.db2.gz XXMHVZNCYCHCDF-NEPJUHHUSA-N 1 1 319.321 -1.257 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)o1 ZINC001090269344 776068578 /nfs/dbraw/zinc/06/85/78/776068578.db2.gz RPPKNSUBOYGROM-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)o1 ZINC001090269344 776068586 /nfs/dbraw/zinc/06/85/86/776068586.db2.gz RPPKNSUBOYGROM-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877396 776068858 /nfs/dbraw/zinc/06/88/58/776068858.db2.gz WDMVVCMYQYWFQW-AEJSXWLSSA-N 1 1 306.326 -1.720 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877396 776068862 /nfs/dbraw/zinc/06/88/62/776068862.db2.gz WDMVVCMYQYWFQW-AEJSXWLSSA-N 1 1 306.326 -1.720 20 0 DAADMO Cn1cc(CC[N@@H+]2CCO[C@](C)(CNC(=O)C(N)=O)C2)cn1 ZINC001108172713 776068879 /nfs/dbraw/zinc/06/88/79/776068879.db2.gz FIKQPWKWVRPUOB-CQSZACIVSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1cc(CC[N@H+]2CCO[C@](C)(CNC(=O)C(N)=O)C2)cn1 ZINC001108172713 776068881 /nfs/dbraw/zinc/06/88/81/776068881.db2.gz FIKQPWKWVRPUOB-CQSZACIVSA-N 1 1 309.370 -1.345 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090270640 776070239 /nfs/dbraw/zinc/07/02/39/776070239.db2.gz YJVYAFBYPVYQLF-CMPLNLGQSA-N 1 1 309.370 -1.300 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270670 776070341 /nfs/dbraw/zinc/07/03/41/776070341.db2.gz YMESOOYCBJNQLO-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090270670 776070345 /nfs/dbraw/zinc/07/03/45/776070345.db2.gz YMESOOYCBJNQLO-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1CC[N@@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108173106 776070390 /nfs/dbraw/zinc/07/03/90/776070390.db2.gz KWXOMNOWGXSERN-CQSZACIVSA-N 1 1 309.370 -1.345 20 0 DAADMO Cn1nccc1CC[N@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108173106 776070393 /nfs/dbraw/zinc/07/03/93/776070393.db2.gz KWXOMNOWGXSERN-CQSZACIVSA-N 1 1 309.370 -1.345 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274538 776073545 /nfs/dbraw/zinc/07/35/45/776073545.db2.gz INUIDZYPVUPFCQ-UWVGGRQHSA-N 1 1 310.358 -1.663 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274998 776075485 /nfs/dbraw/zinc/07/54/85/776075485.db2.gz JZCTXSDMXNDQPL-MNOVXSKESA-N 1 1 324.385 -1.416 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067927 776076039 /nfs/dbraw/zinc/07/60/39/776076039.db2.gz WWQGNYGEBHAETF-ZJUUUORDSA-N 1 1 316.358 -2.872 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001288067927 776076042 /nfs/dbraw/zinc/07/60/42/776076042.db2.gz WWQGNYGEBHAETF-ZJUUUORDSA-N 1 1 316.358 -2.872 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099690423 776076599 /nfs/dbraw/zinc/07/65/99/776076599.db2.gz OPBCWHNCVPQGKJ-KBPBESRZSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)NC1=O ZINC001273177964 776076753 /nfs/dbraw/zinc/07/67/53/776076753.db2.gz KBFQMFJSFJFJQA-YFKTTZPYSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)NC1=O ZINC001273177964 776076759 /nfs/dbraw/zinc/07/67/59/776076759.db2.gz KBFQMFJSFJFJQA-YFKTTZPYSA-N 1 1 324.381 -1.689 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090277787 776077002 /nfs/dbraw/zinc/07/70/02/776077002.db2.gz YGSCUGMQLCAMIF-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO CC1(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001090284716 776078271 /nfs/dbraw/zinc/07/82/71/776078271.db2.gz XIWCUAUXSDIHSK-WDEREUQCSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083889500 776080408 /nfs/dbraw/zinc/08/04/08/776080408.db2.gz SRFLFKFVFSRZMX-NEPJUHHUSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083889500 776080418 /nfs/dbraw/zinc/08/04/18/776080418.db2.gz SRFLFKFVFSRZMX-NEPJUHHUSA-N 1 1 321.381 -1.264 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CCNC1=O ZINC001129305918 776084125 /nfs/dbraw/zinc/08/41/25/776084125.db2.gz YUKNUFBJBVLWNB-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129313058 776085453 /nfs/dbraw/zinc/08/54/53/776085453.db2.gz VNNJNYJQQQTJQZ-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129312455 776085485 /nfs/dbraw/zinc/08/54/85/776085485.db2.gz DTSBHPPNZXOVKD-MNOVXSKESA-N 1 1 310.358 -1.910 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129312455 776085494 /nfs/dbraw/zinc/08/54/94/776085494.db2.gz DTSBHPPNZXOVKD-MNOVXSKESA-N 1 1 310.358 -1.910 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083899844 776086180 /nfs/dbraw/zinc/08/61/80/776086180.db2.gz VVUDMQDQBPOGFS-PWSUYJOCSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nn1 ZINC001083899844 776086185 /nfs/dbraw/zinc/08/61/85/776086185.db2.gz VVUDMQDQBPOGFS-PWSUYJOCSA-N 1 1 320.357 -1.635 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cccc(-n2cncn2)n1 ZINC001083900544 776087283 /nfs/dbraw/zinc/08/72/83/776087283.db2.gz UARFQQYPMMYTQO-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccc(-n2cncn2)n1 ZINC001083900544 776087289 /nfs/dbraw/zinc/08/72/89/776087289.db2.gz UARFQQYPMMYTQO-NEPJUHHUSA-N 1 1 318.337 -1.571 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083905304 776087996 /nfs/dbraw/zinc/08/79/96/776087996.db2.gz YIKHXTOUMDEEEL-NEPJUHHUSA-N 1 1 321.341 -1.626 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083905304 776088001 /nfs/dbraw/zinc/08/80/01/776088001.db2.gz YIKHXTOUMDEEEL-NEPJUHHUSA-N 1 1 321.341 -1.626 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001090295444 776088055 /nfs/dbraw/zinc/08/80/55/776088055.db2.gz NWRCULHCFJNZRP-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 ZINC001090295447 776088322 /nfs/dbraw/zinc/08/83/22/776088322.db2.gz NWRCULHCFJNZRP-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)[C@H](O)C1 ZINC001090295445 776089021 /nfs/dbraw/zinc/08/90/21/776089021.db2.gz NWRCULHCFJNZRP-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090296023 776090223 /nfs/dbraw/zinc/09/02/23/776090223.db2.gz UYYNNWOCQHKXRQ-NWDGAFQWSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090296023 776090227 /nfs/dbraw/zinc/09/02/27/776090227.db2.gz UYYNNWOCQHKXRQ-NWDGAFQWSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090293723 776090567 /nfs/dbraw/zinc/09/05/67/776090567.db2.gz VOEYYBQGCQPIQQ-MNOVXSKESA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090293723 776090572 /nfs/dbraw/zinc/09/05/72/776090572.db2.gz VOEYYBQGCQPIQQ-MNOVXSKESA-N 1 1 308.375 -1.058 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090307509 776092762 /nfs/dbraw/zinc/09/27/62/776092762.db2.gz ASWGMZZLQWLOEG-QWRGUYRKSA-N 1 1 323.390 -1.457 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090307509 776092768 /nfs/dbraw/zinc/09/27/68/776092768.db2.gz ASWGMZZLQWLOEG-QWRGUYRKSA-N 1 1 323.390 -1.457 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090311786 776094514 /nfs/dbraw/zinc/09/45/14/776094514.db2.gz YJTALMVHOBSMQF-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090311787 776095201 /nfs/dbraw/zinc/09/52/01/776095201.db2.gz YJTALMVHOBSMQF-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090311784 776095343 /nfs/dbraw/zinc/09/53/43/776095343.db2.gz YJTALMVHOBSMQF-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC001090312796 776095880 /nfs/dbraw/zinc/09/58/80/776095880.db2.gz LPAYVWGVYAPTDM-SKDRFNHKSA-N 1 1 320.353 -1.100 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090311108 776095944 /nfs/dbraw/zinc/09/59/44/776095944.db2.gz QDWZBPNNPXYBOH-MNOVXSKESA-N 1 1 321.399 -2.434 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090327254 776097517 /nfs/dbraw/zinc/09/75/17/776097517.db2.gz PUFPFFUMFVZQBR-NEPJUHHUSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090325396 776097585 /nfs/dbraw/zinc/09/75/85/776097585.db2.gz BGHJZUGWSZEHHH-WDEREUQCSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090325396 776097587 /nfs/dbraw/zinc/09/75/87/776097587.db2.gz BGHJZUGWSZEHHH-WDEREUQCSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090327892 776099280 /nfs/dbraw/zinc/09/92/80/776099280.db2.gz VQZJZZJFUDSQFJ-OLZOCXBDSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC001090325996 776099643 /nfs/dbraw/zinc/09/96/43/776099643.db2.gz GKYOJAMLSNHHNP-ZYHUDNBSSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2ncccc12 ZINC001090332299 776099995 /nfs/dbraw/zinc/09/99/95/776099995.db2.gz VTZZUQFYNOONKI-DGCLKSJQSA-N 1 1 305.338 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090326499 776100188 /nfs/dbraw/zinc/10/01/88/776100188.db2.gz ISIZXNJOLWADHD-NWDGAFQWSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090328051 776100650 /nfs/dbraw/zinc/10/06/50/776100650.db2.gz XLBCITDLXDKDIJ-VXGBXAGGSA-N 1 1 317.361 -1.244 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)cn1C ZINC001090343215 776102474 /nfs/dbraw/zinc/10/24/74/776102474.db2.gz YASMBZQKLJGZSX-OCCSQVGLSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1C ZINC001090343215 776102478 /nfs/dbraw/zinc/10/24/78/776102478.db2.gz YASMBZQKLJGZSX-OCCSQVGLSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090338580 776102646 /nfs/dbraw/zinc/10/26/46/776102646.db2.gz JRIBRJJZRGQBKA-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090338580 776102652 /nfs/dbraw/zinc/10/26/52/776102652.db2.gz JRIBRJJZRGQBKA-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1C ZINC001090357006 776103891 /nfs/dbraw/zinc/10/38/91/776103891.db2.gz AKKYHZZKQIGOLI-GHMZBOCLSA-N 1 1 310.354 -1.456 20 0 DAADMO Cc1cnc2nc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@@H]3O)nn2c1 ZINC001090350630 776105125 /nfs/dbraw/zinc/10/51/25/776105125.db2.gz XGODCIXNCMWXPJ-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001090362220 776105990 /nfs/dbraw/zinc/10/59/90/776105990.db2.gz UUGPBUKIXCVYLI-YPMHNXCESA-N 1 1 324.381 -1.039 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001090361998 776106835 /nfs/dbraw/zinc/10/68/35/776106835.db2.gz SEHCTKJBCLUMPT-PWSUYJOCSA-N 1 1 310.354 -1.429 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001118305076 776108737 /nfs/dbraw/zinc/10/87/37/776108737.db2.gz HMSUVPIMSUJUIM-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001118305076 776108745 /nfs/dbraw/zinc/10/87/45/776108745.db2.gz HMSUVPIMSUJUIM-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001118305076 776108754 /nfs/dbraw/zinc/10/87/54/776108754.db2.gz HMSUVPIMSUJUIM-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090367911 776113156 /nfs/dbraw/zinc/11/31/56/776113156.db2.gz MDOHDUDSORZUFC-CHWSQXEVSA-N 1 1 312.414 -1.280 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001090368928 776114294 /nfs/dbraw/zinc/11/42/94/776114294.db2.gz TVVLMMILKMNNIK-CHWSQXEVSA-N 1 1 309.366 -1.067 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1=O ZINC001090369199 776114366 /nfs/dbraw/zinc/11/43/66/776114366.db2.gz VXZJLMOPPUIAHH-UONOGXRCSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@@H]2O)c1=O ZINC001090372972 776119589 /nfs/dbraw/zinc/11/95/89/776119589.db2.gz CFMCYGIVNCIYIP-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743627 776121833 /nfs/dbraw/zinc/12/18/33/776121833.db2.gz MRDSGOYZZLFBTC-UWVGGRQHSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743627 776121837 /nfs/dbraw/zinc/12/18/37/776121837.db2.gz MRDSGOYZZLFBTC-UWVGGRQHSA-N 1 1 314.386 -1.672 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099741795 776122003 /nfs/dbraw/zinc/12/20/03/776122003.db2.gz XJDPTEYTEBBARO-MNOVXSKESA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743626 776122059 /nfs/dbraw/zinc/12/20/59/776122059.db2.gz MRDSGOYZZLFBTC-NXEZZACHSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743626 776122062 /nfs/dbraw/zinc/12/20/62/776122062.db2.gz MRDSGOYZZLFBTC-NXEZZACHSA-N 1 1 314.386 -1.672 20 0 DAADMO O=C(Cc1ccon1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099745033 776122262 /nfs/dbraw/zinc/12/22/62/776122262.db2.gz YNMCUBJVEVOWGB-QWHCGFSZSA-N 1 1 313.354 -1.223 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001090373509 776122280 /nfs/dbraw/zinc/12/22/80/776122280.db2.gz IPDIXZXGKNYQPO-VXGBXAGGSA-N 1 1 309.370 -1.457 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001090373506 776122359 /nfs/dbraw/zinc/12/23/59/776122359.db2.gz IPDIXZXGKNYQPO-RYUDHWBXSA-N 1 1 309.370 -1.457 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757920 776125373 /nfs/dbraw/zinc/12/53/73/776125373.db2.gz LVVNGKSJACYWNR-VHSXEESVSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757920 776125380 /nfs/dbraw/zinc/12/53/80/776125380.db2.gz LVVNGKSJACYWNR-VHSXEESVSA-N 1 1 300.359 -2.062 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757351 776125712 /nfs/dbraw/zinc/12/57/12/776125712.db2.gz DCCOBEOBOPQXGJ-NEPJUHHUSA-N 1 1 309.370 -1.611 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@H]2O)c1=O ZINC001090376481 776126479 /nfs/dbraw/zinc/12/64/79/776126479.db2.gz XZOOYUGLYKIESO-QWHCGFSZSA-N 1 1 323.397 -1.067 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099757352 776126635 /nfs/dbraw/zinc/12/66/35/776126635.db2.gz DCCOBEOBOPQXGJ-NWDGAFQWSA-N 1 1 309.370 -1.611 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]n1 ZINC001090381866 776128227 /nfs/dbraw/zinc/12/82/27/776128227.db2.gz MSUTXGXCOIVOOF-CMPLNLGQSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001090377613 776128480 /nfs/dbraw/zinc/12/84/80/776128480.db2.gz KPIBPIZGZUNNBS-KOLCDFICSA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](O)C1 ZINC001090382308 776130597 /nfs/dbraw/zinc/13/05/97/776130597.db2.gz QNDDSSRBXBXEMF-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001090382308 776130601 /nfs/dbraw/zinc/13/06/01/776130601.db2.gz QNDDSSRBXBXEMF-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001090382308 776130607 /nfs/dbraw/zinc/13/06/07/776130607.db2.gz QNDDSSRBXBXEMF-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)cc(C)[nH+]1 ZINC001090387999 776131432 /nfs/dbraw/zinc/13/14/32/776131432.db2.gz RJGXEUDKCDNURN-NXEZZACHSA-N 1 1 307.354 -1.111 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090390571 776134125 /nfs/dbraw/zinc/13/41/25/776134125.db2.gz IGWULNNNYODCFM-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090390571 776134128 /nfs/dbraw/zinc/13/41/28/776134128.db2.gz IGWULNNNYODCFM-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090392933 776135760 /nfs/dbraw/zinc/13/57/60/776135760.db2.gz XUIWPPKYMQRRQT-WDEREUQCSA-N 1 1 300.359 -2.055 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cncnc1 ZINC001099785537 776136291 /nfs/dbraw/zinc/13/62/91/776136291.db2.gz HDPIQTMTPHLNPR-QWHCGFSZSA-N 1 1 310.354 -1.350 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099791209 776137061 /nfs/dbraw/zinc/13/70/61/776137061.db2.gz AXTZCKQERQIGEQ-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099791209 776137063 /nfs/dbraw/zinc/13/70/63/776137063.db2.gz AXTZCKQERQIGEQ-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099791559 776137131 /nfs/dbraw/zinc/13/71/31/776137131.db2.gz HAHLTPSCBJMSRS-UWVGGRQHSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099791559 776137134 /nfs/dbraw/zinc/13/71/34/776137134.db2.gz HAHLTPSCBJMSRS-UWVGGRQHSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099791150 776138070 /nfs/dbraw/zinc/13/80/70/776138070.db2.gz AMPAUZRLPWNRFR-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099791150 776138074 /nfs/dbraw/zinc/13/80/74/776138074.db2.gz AMPAUZRLPWNRFR-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792557 776138232 /nfs/dbraw/zinc/13/82/32/776138232.db2.gz WHSGHBOBVWJIIK-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099792557 776138235 /nfs/dbraw/zinc/13/82/35/776138235.db2.gz WHSGHBOBVWJIIK-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083939548 776139359 /nfs/dbraw/zinc/13/93/59/776139359.db2.gz KRMQALWSSAUREX-MXWKQRLJSA-N 1 1 300.359 -1.927 20 0 DAADMO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083939548 776139369 /nfs/dbraw/zinc/13/93/69/776139369.db2.gz KRMQALWSSAUREX-MXWKQRLJSA-N 1 1 300.359 -1.927 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c([nH]c1=O)CCOC2 ZINC001083936496 776139689 /nfs/dbraw/zinc/13/96/89/776139689.db2.gz QCNDKFQXRPMKOH-OLZOCXBDSA-N 1 1 323.349 -1.373 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953617 776140517 /nfs/dbraw/zinc/14/05/17/776140517.db2.gz YRIFFONFFGRPOG-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001083948646 776141125 /nfs/dbraw/zinc/14/11/25/776141125.db2.gz CDOKHZJSUWYYNT-MNOVXSKESA-N 1 1 310.354 -1.548 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083951126 776141310 /nfs/dbraw/zinc/14/13/10/776141310.db2.gz LJJDXNIMBWXVAH-ZJUUUORDSA-N 1 1 306.326 -1.398 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001083950670 776141475 /nfs/dbraw/zinc/14/14/75/776141475.db2.gz VYMUTVADTYATGL-QNSHHTMESA-N 1 1 322.325 -2.427 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083952963 776141564 /nfs/dbraw/zinc/14/15/64/776141564.db2.gz BIXMAFKSHNCJCW-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001083948338 776142680 /nfs/dbraw/zinc/14/26/80/776142680.db2.gz YGLUJEFPEVAEKB-MNOVXSKESA-N 1 1 321.337 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083954888 776144572 /nfs/dbraw/zinc/14/45/72/776144572.db2.gz MWCMIXQIAPPTKH-MJBXVCDLSA-N 1 1 322.413 -1.219 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083961523 776145448 /nfs/dbraw/zinc/14/54/48/776145448.db2.gz YKNPSGGRZMSEBT-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001083961523 776145455 /nfs/dbraw/zinc/14/54/55/776145455.db2.gz YKNPSGGRZMSEBT-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 ZINC001083962682 776146409 /nfs/dbraw/zinc/14/64/09/776146409.db2.gz MOBJBXXSSYIDOS-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H](O)C1 ZINC001083962682 776146418 /nfs/dbraw/zinc/14/64/18/776146418.db2.gz MOBJBXXSSYIDOS-NEPJUHHUSA-N 1 1 309.370 -1.036 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cn1 ZINC001083963837 776146735 /nfs/dbraw/zinc/14/67/35/776146735.db2.gz IYVYHMPETYSZEP-WQAKAFBOSA-N 1 1 322.365 -1.403 20 0 DAADMO Cc1ccn2ncc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)c2n1 ZINC001083964128 776146876 /nfs/dbraw/zinc/14/68/76/776146876.db2.gz YPKSORSQRPKRSS-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1ccn2ncc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c2n1 ZINC001083964128 776146881 /nfs/dbraw/zinc/14/68/81/776146881.db2.gz YPKSORSQRPKRSS-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001083977194 776147921 /nfs/dbraw/zinc/14/79/21/776147921.db2.gz YTENDEXKULBSCN-XQQFMLRXSA-N 1 1 324.381 -1.252 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083971716 776148154 /nfs/dbraw/zinc/14/81/54/776148154.db2.gz WOCUEYUWKWSZMQ-XQQFMLRXSA-N 1 1 311.382 -1.147 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001083976942 776148368 /nfs/dbraw/zinc/14/83/68/776148368.db2.gz OFHXCTUNKWZXIN-TUAOUCFPSA-N 1 1 310.354 -1.906 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001083977155 776148498 /nfs/dbraw/zinc/14/84/98/776148498.db2.gz XLNPORXIVPMZIT-UPJWGTAASA-N 1 1 324.381 -1.252 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001084032304 776150196 /nfs/dbraw/zinc/15/01/96/776150196.db2.gz GMDDDECNBWZYSE-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]3O)nn21 ZINC001084022634 776150205 /nfs/dbraw/zinc/15/02/05/776150205.db2.gz QOIRTCNOTXXQOL-AXFHLTTASA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3O)nn21 ZINC001084022634 776150208 /nfs/dbraw/zinc/15/02/08/776150208.db2.gz QOIRTCNOTXXQOL-AXFHLTTASA-N 1 1 320.353 -1.412 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001084024028 776150360 /nfs/dbraw/zinc/15/03/60/776150360.db2.gz NUXBLYIQVYASLB-BDAKNGLRSA-N 1 1 314.342 -2.530 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033259 776151150 /nfs/dbraw/zinc/15/11/50/776151150.db2.gz NXXQLDSGOILECN-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033259 776151157 /nfs/dbraw/zinc/15/11/57/776151157.db2.gz NXXQLDSGOILECN-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001084035364 776151761 /nfs/dbraw/zinc/15/17/61/776151761.db2.gz OHRLJOLMRKHJLD-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084035369 776151844 /nfs/dbraw/zinc/15/18/44/776151844.db2.gz OONYYMCSEXZCER-BDAKNGLRSA-N 1 1 300.315 -2.654 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001084036218 776153045 /nfs/dbraw/zinc/15/30/45/776153045.db2.gz XNVXXIILZIFGLV-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084038452 776153082 /nfs/dbraw/zinc/15/30/82/776153082.db2.gz KFTZTWBGYPMCQI-ZJUUUORDSA-N 1 1 305.338 -1.240 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084037724 776153519 /nfs/dbraw/zinc/15/35/19/776153519.db2.gz GTQPRZXNWNYKSW-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001084012635 776154658 /nfs/dbraw/zinc/15/46/58/776154658.db2.gz YAKRHQSPNQELOJ-RDBSUJKOSA-N 1 1 311.382 -1.195 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001084008436 776154733 /nfs/dbraw/zinc/15/47/33/776154733.db2.gz GFFALXBIQPUQRB-OLZOCXBDSA-N 1 1 322.365 -1.402 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084012389 776154829 /nfs/dbraw/zinc/15/48/29/776154829.db2.gz NPUVDYRJYCBTCP-AGIUHOORSA-N 1 1 315.370 -2.223 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)cn1 ZINC001084004382 776155125 /nfs/dbraw/zinc/15/51/25/776155125.db2.gz IZJVPYLUHVWIDB-OLZOCXBDSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)cn1 ZINC001084004382 776155134 /nfs/dbraw/zinc/15/51/34/776155134.db2.gz IZJVPYLUHVWIDB-OLZOCXBDSA-N 1 1 312.370 -1.049 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001084012292 776155186 /nfs/dbraw/zinc/15/51/86/776155186.db2.gz LRBHCNFYEHKWPK-AGIUHOORSA-N 1 1 317.361 -1.245 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(=O)n1C ZINC001084012517 776155406 /nfs/dbraw/zinc/15/54/06/776155406.db2.gz SGZSFDGSXCNGTB-IEBDPFPHSA-N 1 1 313.358 -2.568 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)C1 ZINC001084078058 776156508 /nfs/dbraw/zinc/15/65/08/776156508.db2.gz LRAOLIMUHRNOGL-AGIUHOORSA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084079029 776157136 /nfs/dbraw/zinc/15/71/36/776157136.db2.gz RYUIPQHFJRXGKZ-UPJWGTAASA-N 1 1 306.366 -1.003 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001084079029 776157145 /nfs/dbraw/zinc/15/71/45/776157145.db2.gz RYUIPQHFJRXGKZ-UPJWGTAASA-N 1 1 306.366 -1.003 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084048590 776158637 /nfs/dbraw/zinc/15/86/37/776158637.db2.gz AINBCKBCHDBXRO-ZJUUUORDSA-N 1 1 301.368 -1.628 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052605 776158987 /nfs/dbraw/zinc/15/89/87/776158987.db2.gz AUEQJJWONXPYSQ-UTUOFQBUSA-N 1 1 309.370 -1.009 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084048848 776159317 /nfs/dbraw/zinc/15/93/17/776159317.db2.gz NDRWGCRJWRNMIO-MNOVXSKESA-N 1 1 315.395 -1.238 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC001084053603 776160513 /nfs/dbraw/zinc/16/05/13/776160513.db2.gz DBWPOLZTAOTYBG-UTUOFQBUSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC001084053603 776160521 /nfs/dbraw/zinc/16/05/21/776160521.db2.gz DBWPOLZTAOTYBG-UTUOFQBUSA-N 1 1 308.386 -1.274 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n[nH]1 ZINC001084053603 776160529 /nfs/dbraw/zinc/16/05/29/776160529.db2.gz DBWPOLZTAOTYBG-UTUOFQBUSA-N 1 1 308.386 -1.274 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@@H](O)C1 ZINC001084056608 776161356 /nfs/dbraw/zinc/16/13/56/776161356.db2.gz GTMAXYYDNAJOQA-AXFHLTTASA-N 1 1 320.353 -1.791 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001084062331 776162416 /nfs/dbraw/zinc/16/24/16/776162416.db2.gz LIFWMYKSGWCEJZ-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084059494 776162527 /nfs/dbraw/zinc/16/25/27/776162527.db2.gz LHVJSGSQRYURPW-AGIUHOORSA-N 1 1 321.381 -1.369 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001084059536 776162701 /nfs/dbraw/zinc/16/27/01/776162701.db2.gz MZJOIVNBEOGWJX-MNOVXSKESA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001084059594 776163003 /nfs/dbraw/zinc/16/30/03/776163003.db2.gz PKRJEKLPLGZPAV-NEPJUHHUSA-N 1 1 319.369 -1.318 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060371 776163046 /nfs/dbraw/zinc/16/30/46/776163046.db2.gz VOGXMQZTIYRSEU-UTUOFQBUSA-N 1 1 309.370 -1.383 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067259 776163106 /nfs/dbraw/zinc/16/31/06/776163106.db2.gz JJBLETXUAOTELF-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)c[nH]1 ZINC001084062164 776163155 /nfs/dbraw/zinc/16/31/55/776163155.db2.gz FWMOGYLBMVTJBT-WQAKAFBOSA-N 1 1 322.365 -1.075 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001084059701 776163334 /nfs/dbraw/zinc/16/33/34/776163334.db2.gz UXTRQPNEPNLGLO-OLZOCXBDSA-N 1 1 321.381 -1.369 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)[nH]1 ZINC001084059464 776163354 /nfs/dbraw/zinc/16/33/54/776163354.db2.gz KCEDTKSPSNTLAF-NEPJUHHUSA-N 1 1 319.369 -1.020 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112659 776164822 /nfs/dbraw/zinc/16/48/22/776164822.db2.gz CIYAYZAPZPZDOV-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068356 776165061 /nfs/dbraw/zinc/16/50/61/776165061.db2.gz WNMDHPQJDJBQII-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068207 776165216 /nfs/dbraw/zinc/16/52/16/776165216.db2.gz PLLNGJWVUGDQNQ-UTUOFQBUSA-N 1 1 317.411 -1.194 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001084069578 776165273 /nfs/dbraw/zinc/16/52/73/776165273.db2.gz IRXSCNKRVGKAAA-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001084069578 776165280 /nfs/dbraw/zinc/16/52/80/776165280.db2.gz IRXSCNKRVGKAAA-OLZOCXBDSA-N 1 1 317.353 -1.148 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084073516 776165531 /nfs/dbraw/zinc/16/55/31/776165531.db2.gz XMFVVUDFTFNLAR-RDBSUJKOSA-N 1 1 311.382 -1.195 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068206 776165575 /nfs/dbraw/zinc/16/55/75/776165575.db2.gz PLLNGJWVUGDQNQ-TUAOUCFPSA-N 1 1 317.411 -1.194 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084115235 776166495 /nfs/dbraw/zinc/16/64/95/776166495.db2.gz APEVHTGCMNTFQD-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001084115235 776166502 /nfs/dbraw/zinc/16/65/02/776166502.db2.gz APEVHTGCMNTFQD-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC001084112978 776166887 /nfs/dbraw/zinc/16/68/87/776166887.db2.gz SMGNVQLRBLUMMF-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116464 776166913 /nfs/dbraw/zinc/16/69/13/776166913.db2.gz SATUHWMRVXNVTH-FXAINCCUSA-N 1 1 308.338 -1.664 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116642 776166962 /nfs/dbraw/zinc/16/69/62/776166962.db2.gz ZUOKKEOZKZPPKV-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116642 776166964 /nfs/dbraw/zinc/16/69/64/776166964.db2.gz ZUOKKEOZKZPPKV-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@@H](O)C1 ZINC001084086316 776168057 /nfs/dbraw/zinc/16/80/57/776168057.db2.gz XTFCQHVNLAOBEY-UTUOFQBUSA-N 1 1 309.370 -1.352 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@@H](O)C1 ZINC001084086315 776168174 /nfs/dbraw/zinc/16/81/74/776168174.db2.gz XTFCQHVNLAOBEY-TUAOUCFPSA-N 1 1 309.370 -1.352 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084101556 776169172 /nfs/dbraw/zinc/16/91/72/776169172.db2.gz QAFOCNUEJULBGZ-BIMULSAOSA-N 1 1 322.365 -1.010 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084103004 776169332 /nfs/dbraw/zinc/16/93/32/776169332.db2.gz YIPWFKOMKOLCHH-AXTRIDKLSA-N 1 1 308.338 -1.664 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090247 776169859 /nfs/dbraw/zinc/16/98/59/776169859.db2.gz QUOIREZFGZATPU-MRTMQBJTSA-N 1 1 312.330 -3.081 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001084090759 776170022 /nfs/dbraw/zinc/17/00/22/776170022.db2.gz GTRPRIFBNUVHMW-SCZZXKLOSA-N 1 1 312.330 -3.079 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097248 776170239 /nfs/dbraw/zinc/17/02/39/776170239.db2.gz KPEPYQUKCRMHBH-UMNHJUIQSA-N 1 1 312.370 -1.466 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084178654 776171457 /nfs/dbraw/zinc/17/14/57/776171457.db2.gz SOXWLSNQDZNEBK-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084178654 776171463 /nfs/dbraw/zinc/17/14/63/776171463.db2.gz SOXWLSNQDZNEBK-IJLUTSLNSA-N 1 1 319.369 -1.516 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099796557 776171726 /nfs/dbraw/zinc/17/17/26/776171726.db2.gz FZHWQFNKCKYNGH-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099796557 776171731 /nfs/dbraw/zinc/17/17/31/776171731.db2.gz FZHWQFNKCKYNGH-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001084132974 776171829 /nfs/dbraw/zinc/17/18/29/776171829.db2.gz RUCOEJUTJLLOBI-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290967 776172876 /nfs/dbraw/zinc/17/28/76/776172876.db2.gz VHYODFVHGZPOFO-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290967 776172878 /nfs/dbraw/zinc/17/28/78/776172878.db2.gz VHYODFVHGZPOFO-YNEHKIRRSA-N 1 1 310.398 -1.275 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001084306798 776173030 /nfs/dbraw/zinc/17/30/30/776173030.db2.gz HRVJOUWIECSQEO-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)[C@@H]2C1 ZINC001084306798 776173033 /nfs/dbraw/zinc/17/30/33/776173033.db2.gz HRVJOUWIECSQEO-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292660 776173258 /nfs/dbraw/zinc/17/32/58/776173258.db2.gz KNFVZWRFQQHQEZ-IVZWLZJFSA-N 1 1 308.342 -1.610 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084292660 776173262 /nfs/dbraw/zinc/17/32/62/776173262.db2.gz KNFVZWRFQQHQEZ-IVZWLZJFSA-N 1 1 308.342 -1.610 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234344 776173773 /nfs/dbraw/zinc/17/37/73/776173773.db2.gz KTMOFFBBNPSRBZ-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084234344 776173781 /nfs/dbraw/zinc/17/37/81/776173781.db2.gz KTMOFFBBNPSRBZ-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099800152 776174433 /nfs/dbraw/zinc/17/44/33/776174433.db2.gz YKFYCCKVHGSBQK-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099800152 776174440 /nfs/dbraw/zinc/17/44/40/776174440.db2.gz YKFYCCKVHGSBQK-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374637 776175635 /nfs/dbraw/zinc/17/56/35/776175635.db2.gz CMVBABJBADNWCO-QJPTWQEYSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374637 776175640 /nfs/dbraw/zinc/17/56/40/776175640.db2.gz CMVBABJBADNWCO-QJPTWQEYSA-N 1 1 306.370 -1.055 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084347364 776175940 /nfs/dbraw/zinc/17/59/40/776175940.db2.gz OHVZAUHHPCYXQA-GMTAPVOTSA-N 1 1 305.342 -1.906 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084347364 776175948 /nfs/dbraw/zinc/17/59/48/776175948.db2.gz OHVZAUHHPCYXQA-GMTAPVOTSA-N 1 1 305.342 -1.906 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467048 776177542 /nfs/dbraw/zinc/17/75/42/776177542.db2.gz ONAYKXXVYVDNSR-HBNTYKKESA-N 1 1 322.369 -2.012 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001084467048 776177550 /nfs/dbraw/zinc/17/75/50/776177550.db2.gz ONAYKXXVYVDNSR-HBNTYKKESA-N 1 1 322.369 -2.012 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001099802527 776179652 /nfs/dbraw/zinc/17/96/52/776179652.db2.gz XGHHKOWEWRIQEC-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001099802527 776179656 /nfs/dbraw/zinc/17/96/56/776179656.db2.gz XGHHKOWEWRIQEC-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001084532526 776179772 /nfs/dbraw/zinc/17/97/72/776179772.db2.gz ATTXUHZNGVKRFC-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001084532526 776179775 /nfs/dbraw/zinc/17/97/75/776179775.db2.gz ATTXUHZNGVKRFC-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573428 776180318 /nfs/dbraw/zinc/18/03/18/776180318.db2.gz SSQSAYJCDRLXSK-JHJVBQTASA-N 1 1 310.398 -1.668 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084624497 776182060 /nfs/dbraw/zinc/18/20/60/776182060.db2.gz SCDYSSVMNWSDDI-GMTAPVOTSA-N 1 1 304.354 -1.217 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099812822 776183841 /nfs/dbraw/zinc/18/38/41/776183841.db2.gz HVHIMOYATMFCIG-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084624622 776183873 /nfs/dbraw/zinc/18/38/73/776183873.db2.gz XRXKXGIWSDXXKM-IJLUTSLNSA-N 1 1 308.382 -1.079 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099809726 776184067 /nfs/dbraw/zinc/18/40/67/776184067.db2.gz LTPHXWGULUSJRV-NWDGAFQWSA-N 1 1 304.387 -1.292 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084624623 776184344 /nfs/dbraw/zinc/18/43/44/776184344.db2.gz XRXKXGIWSDXXKM-QJPTWQEYSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719333 776185213 /nfs/dbraw/zinc/18/52/13/776185213.db2.gz OZRJKBCGZZRGSU-FXPVBKGRSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719333 776185216 /nfs/dbraw/zinc/18/52/16/776185216.db2.gz OZRJKBCGZZRGSU-FXPVBKGRSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737907 776185241 /nfs/dbraw/zinc/18/52/41/776185241.db2.gz HPKYLQGKXUHSDX-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737907 776185247 /nfs/dbraw/zinc/18/52/47/776185247.db2.gz HPKYLQGKXUHSDX-GMTAPVOTSA-N 1 1 307.358 -1.530 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCO)C3)c1=O ZINC001098912277 776185742 /nfs/dbraw/zinc/18/57/42/776185742.db2.gz AXIMNEFIMSAXIM-WFASDCNBSA-N 1 1 323.397 -1.065 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737889 776185755 /nfs/dbraw/zinc/18/57/55/776185755.db2.gz GTOLZGDGYXKHDD-QJPTWQEYSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737889 776185759 /nfs/dbraw/zinc/18/57/59/776185759.db2.gz GTOLZGDGYXKHDD-QJPTWQEYSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717500 776186116 /nfs/dbraw/zinc/18/61/16/776186116.db2.gz YOTCBMMPFKOXKJ-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001084717500 776186121 /nfs/dbraw/zinc/18/61/21/776186121.db2.gz YOTCBMMPFKOXKJ-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084724966 776186606 /nfs/dbraw/zinc/18/66/06/776186606.db2.gz BJWRQCIXQQNXKB-GHMZBOCLSA-N 1 1 310.354 -1.283 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084725255 776186631 /nfs/dbraw/zinc/18/66/31/776186631.db2.gz QYBYMDVNKYRNFH-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001084759727 776188426 /nfs/dbraw/zinc/18/84/26/776188426.db2.gz AHBZVTMKSAGDSH-QJPTWQEYSA-N 1 1 324.381 -1.158 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099835167 776189806 /nfs/dbraw/zinc/18/98/06/776189806.db2.gz DGGZPCAJLINYQF-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099835167 776189812 /nfs/dbraw/zinc/18/98/12/776189812.db2.gz DGGZPCAJLINYQF-UWVGGRQHSA-N 1 1 311.379 -1.553 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084819726 776190309 /nfs/dbraw/zinc/19/03/09/776190309.db2.gz OFFUBVYENMKNNE-IJLUTSLNSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084838274 776190528 /nfs/dbraw/zinc/19/05/28/776190528.db2.gz AXNZFGRTIKLFSI-IJLUTSLNSA-N 1 1 317.411 -1.407 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099833541 776190782 /nfs/dbraw/zinc/19/07/82/776190782.db2.gz XUUNUCHMCOXBBU-UWVGGRQHSA-N 1 1 309.388 -2.531 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084817143 776191017 /nfs/dbraw/zinc/19/10/17/776191017.db2.gz LWAYFCGNNKKOGY-GRYCIOLGSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084817143 776191023 /nfs/dbraw/zinc/19/10/23/776191023.db2.gz LWAYFCGNNKKOGY-GRYCIOLGSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099838261 776191633 /nfs/dbraw/zinc/19/16/33/776191633.db2.gz KVNGBODUKUSRNG-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099838571 776192510 /nfs/dbraw/zinc/19/25/10/776192510.db2.gz OYHYNFUNBQLCIP-WDEREUQCSA-N 1 1 314.346 -2.767 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001084873652 776193540 /nfs/dbraw/zinc/19/35/40/776193540.db2.gz OILOHBVQSYCJNY-GMTAPVOTSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001084873652 776193545 /nfs/dbraw/zinc/19/35/45/776193545.db2.gz OILOHBVQSYCJNY-GMTAPVOTSA-N 1 1 322.365 -1.682 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]21 ZINC001084931877 776193863 /nfs/dbraw/zinc/19/38/63/776193863.db2.gz WENMWXSLNHRKHX-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C[C@@H]21 ZINC001084931877 776193867 /nfs/dbraw/zinc/19/38/67/776193867.db2.gz WENMWXSLNHRKHX-VWYCJHECSA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084873433 776194442 /nfs/dbraw/zinc/19/44/42/776194442.db2.gz GBMJUDOCSHYECG-GRYCIOLGSA-N 1 1 309.366 -1.046 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099861400 776195498 /nfs/dbraw/zinc/19/54/98/776195498.db2.gz RSQQYMQQGFWJJQ-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099861400 776195501 /nfs/dbraw/zinc/19/55/01/776195501.db2.gz RSQQYMQQGFWJJQ-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099860374 776196185 /nfs/dbraw/zinc/19/61/85/776196185.db2.gz ASOLERPJZWOWIB-RYUDHWBXSA-N 1 1 319.427 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099860372 776196649 /nfs/dbraw/zinc/19/66/49/776196649.db2.gz ASOLERPJZWOWIB-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001085005281 776197375 /nfs/dbraw/zinc/19/73/75/776197375.db2.gz OLGAUORWJRJNMO-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001099861843 776197392 /nfs/dbraw/zinc/19/73/92/776197392.db2.gz ZKTBRWPNKBUZFN-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)NC1=O ZINC001085006509 776197544 /nfs/dbraw/zinc/19/75/44/776197544.db2.gz DCQIHLWHLWHZAI-MXWKQRLJSA-N 1 1 309.370 -1.582 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)NC1=O ZINC001085006509 776197551 /nfs/dbraw/zinc/19/75/51/776197551.db2.gz DCQIHLWHLWHZAI-MXWKQRLJSA-N 1 1 309.370 -1.582 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C(=O)C1CC1 ZINC001099862919 776197860 /nfs/dbraw/zinc/19/78/60/776197860.db2.gz FPXUAWXCHICRIY-STQMWFEESA-N 1 1 313.398 -1.211 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001099862934 776198373 /nfs/dbraw/zinc/19/83/73/776198373.db2.gz FWFKPJDAJUUXEQ-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864118 776198413 /nfs/dbraw/zinc/19/84/13/776198413.db2.gz POTHLPHAXRKYRG-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@@H]21 ZINC001085005029 776198469 /nfs/dbraw/zinc/19/84/69/776198469.db2.gz CMOBUPLZXACJNW-WOPDTQHZSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001099862935 776198501 /nfs/dbraw/zinc/19/85/01/776198501.db2.gz FWFKPJDAJUUXEQ-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@@H]21 ZINC001085020999 776198504 /nfs/dbraw/zinc/19/85/04/776198504.db2.gz XDRBGIQNRDZPQZ-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC23COCCN2CCOC3)C1 ZINC000823117500 776201349 /nfs/dbraw/zinc/20/13/49/776201349.db2.gz CHSPECUDBOUNMW-CYBMUJFWSA-N 1 1 313.398 -1.076 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC23COCCN2CCOC3)C1 ZINC000823117500 776201353 /nfs/dbraw/zinc/20/13/53/776201353.db2.gz CHSPECUDBOUNMW-CYBMUJFWSA-N 1 1 313.398 -1.076 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001085186624 776201458 /nfs/dbraw/zinc/20/14/58/776201458.db2.gz BEFJOCOGWARFDV-BBBLOLIVSA-N 1 1 323.357 -1.165 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001154601656 776203590 /nfs/dbraw/zinc/20/35/90/776203590.db2.gz CYOPVULBFIYBJJ-UTUOFQBUSA-N 1 1 301.387 -1.044 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC(N)=O ZINC001288245582 776204442 /nfs/dbraw/zinc/20/44/42/776204442.db2.gz PBUWSRPQUACRRD-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001085315727 776205684 /nfs/dbraw/zinc/20/56/84/776205684.db2.gz HSIAIKNCHKINAD-BBBLOLIVSA-N 1 1 322.373 -1.592 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001098367624 776206182 /nfs/dbraw/zinc/20/61/82/776206182.db2.gz JFCCRWNHGRMCKZ-NSHDSACASA-N 1 1 312.374 -1.661 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973237 776207056 /nfs/dbraw/zinc/20/70/56/776207056.db2.gz AGXTZSBYQAEDNM-BDAKNGLRSA-N 1 1 322.387 -3.038 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973237 776207063 /nfs/dbraw/zinc/20/70/63/776207063.db2.gz AGXTZSBYQAEDNM-BDAKNGLRSA-N 1 1 322.387 -3.038 20 0 DAADMO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972589 776207117 /nfs/dbraw/zinc/20/71/17/776207117.db2.gz YXJANPHFYYPTBP-VHSXEESVSA-N 1 1 314.386 -1.672 20 0 DAADMO CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972589 776207125 /nfs/dbraw/zinc/20/71/25/776207125.db2.gz YXJANPHFYYPTBP-VHSXEESVSA-N 1 1 314.386 -1.672 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001099971223 776207188 /nfs/dbraw/zinc/20/71/88/776207188.db2.gz CYICJIQWHGAHNJ-CHWSQXEVSA-N 1 1 312.370 -1.267 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001099967817 776207255 /nfs/dbraw/zinc/20/72/55/776207255.db2.gz TZKUTKGUYLZTIR-PWSUYJOCSA-N 1 1 310.354 -1.029 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC001099973875 776209609 /nfs/dbraw/zinc/20/96/09/776209609.db2.gz KFSFEAFVECUICW-QWRGUYRKSA-N 1 1 312.370 -1.966 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC001099973875 776209620 /nfs/dbraw/zinc/20/96/20/776209620.db2.gz KFSFEAFVECUICW-QWRGUYRKSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)S(C)(=O)=O ZINC001099974936 776209887 /nfs/dbraw/zinc/20/98/87/776209887.db2.gz WXDSHCUDKJDVDC-BDAKNGLRSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)S(C)(=O)=O ZINC001099974936 776209889 /nfs/dbraw/zinc/20/98/89/776209889.db2.gz WXDSHCUDKJDVDC-BDAKNGLRSA-N 1 1 322.387 -3.086 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2nccn2)CC1 ZINC001098379223 776210033 /nfs/dbraw/zinc/21/00/33/776210033.db2.gz SNGVRYCMNAYPFR-UHFFFAOYSA-N 1 1 310.358 -1.951 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099981802 776211331 /nfs/dbraw/zinc/21/13/31/776211331.db2.gz SZSPCNFUZIBEIB-VHSXEESVSA-N 1 1 309.388 -2.401 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001085518926 776212518 /nfs/dbraw/zinc/21/25/18/776212518.db2.gz DGWQAAYNAGRDBX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001085518926 776212524 /nfs/dbraw/zinc/21/25/24/776212524.db2.gz DGWQAAYNAGRDBX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085530785 776212633 /nfs/dbraw/zinc/21/26/33/776212633.db2.gz FNIODHVGXDKCCL-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085530785 776212636 /nfs/dbraw/zinc/21/26/36/776212636.db2.gz FNIODHVGXDKCCL-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CC[N@@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)C(N)=O ZINC001154952984 776212894 /nfs/dbraw/zinc/21/28/94/776212894.db2.gz SWZYHQFTRGAPGM-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085530649 776212948 /nfs/dbraw/zinc/21/29/48/776212948.db2.gz BZWFJTNMHLVVJX-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085530649 776212951 /nfs/dbraw/zinc/21/29/51/776212951.db2.gz BZWFJTNMHLVVJX-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085530650 776212966 /nfs/dbraw/zinc/21/29/66/776212966.db2.gz BZWFJTNMHLVVJX-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085530650 776212969 /nfs/dbraw/zinc/21/29/69/776212969.db2.gz BZWFJTNMHLVVJX-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531553 776213248 /nfs/dbraw/zinc/21/32/48/776213248.db2.gz VTFIIVAKPNTKPC-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CCN1Cc1nnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531553 776213259 /nfs/dbraw/zinc/21/32/59/776213259.db2.gz VTFIIVAKPNTKPC-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001085582159 776216320 /nfs/dbraw/zinc/21/63/20/776216320.db2.gz DBNDIVSSBXYIDD-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001085582159 776216330 /nfs/dbraw/zinc/21/63/30/776216330.db2.gz DBNDIVSSBXYIDD-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O ZINC001099986933 776216901 /nfs/dbraw/zinc/21/69/01/776216901.db2.gz RJDCZCVEDHXLNE-OLZOCXBDSA-N 1 1 310.402 -1.219 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001085692551 776218272 /nfs/dbraw/zinc/21/82/72/776218272.db2.gz LCQMBJRVNAGWKR-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001085692551 776218307 /nfs/dbraw/zinc/21/83/07/776218307.db2.gz LCQMBJRVNAGWKR-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090402747 776220599 /nfs/dbraw/zinc/22/05/99/776220599.db2.gz IRNUCGRQLYMLNT-WDEREUQCSA-N 1 1 310.354 -1.091 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)nn1-c1nc[nH]n1 ZINC001085752407 776221166 /nfs/dbraw/zinc/22/11/66/776221166.db2.gz FGPWSINPYMIQGP-SNVBAGLBSA-N 1 1 320.357 -1.168 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H]2CC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001085752407 776221175 /nfs/dbraw/zinc/22/11/75/776221175.db2.gz FGPWSINPYMIQGP-SNVBAGLBSA-N 1 1 320.357 -1.168 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001085761594 776222085 /nfs/dbraw/zinc/22/20/85/776222085.db2.gz OGEFLDVCPRZZLG-RYUDHWBXSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001085761594 776222089 /nfs/dbraw/zinc/22/20/89/776222089.db2.gz OGEFLDVCPRZZLG-RYUDHWBXSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CNC(=O)N1 ZINC001085793717 776226472 /nfs/dbraw/zinc/22/64/72/776226472.db2.gz NPXDKHCEPSEUTA-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CNC(=O)N1 ZINC001085793717 776226479 /nfs/dbraw/zinc/22/64/79/776226479.db2.gz NPXDKHCEPSEUTA-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[N@H+](CCO)CCO1 ZINC001108210630 776227644 /nfs/dbraw/zinc/22/76/44/776227644.db2.gz BYWYRMFCEXKUFO-MISXGVKJSA-N 1 1 315.370 -1.781 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[N@@H+](CCO)CCO1 ZINC001108210630 776227653 /nfs/dbraw/zinc/22/76/53/776227653.db2.gz BYWYRMFCEXKUFO-MISXGVKJSA-N 1 1 315.370 -1.781 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085817846 776228250 /nfs/dbraw/zinc/22/82/50/776228250.db2.gz KEZYDAIDEAIXFM-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085817846 776228254 /nfs/dbraw/zinc/22/82/54/776228254.db2.gz KEZYDAIDEAIXFM-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085850413 776229778 /nfs/dbraw/zinc/22/97/78/776229778.db2.gz WIGAFTDENKDTAB-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986306 776234445 /nfs/dbraw/zinc/23/44/45/776234445.db2.gz AKGFNVSKAOFJGD-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986305 776234942 /nfs/dbraw/zinc/23/49/42/776234942.db2.gz AKGFNVSKAOFJGD-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)nn1 ZINC001085988645 776235518 /nfs/dbraw/zinc/23/55/18/776235518.db2.gz SRMSXBKQVFSBGJ-LLVKDONJSA-N 1 1 324.385 -1.495 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@H]2CC[N@H+]2CCO)nn1 ZINC001085988645 776235526 /nfs/dbraw/zinc/23/55/26/776235526.db2.gz SRMSXBKQVFSBGJ-LLVKDONJSA-N 1 1 324.385 -1.495 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986591 776235648 /nfs/dbraw/zinc/23/56/48/776235648.db2.gz IHGLLOOJCMVNQW-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100021125 776236194 /nfs/dbraw/zinc/23/61/94/776236194.db2.gz YIJXGOUJCCCIAJ-VHSXEESVSA-N 1 1 324.403 -3.074 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086068796 776237356 /nfs/dbraw/zinc/23/73/56/776237356.db2.gz OOARGEVNCCAWMD-KLPPZKSPSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086052323 776237362 /nfs/dbraw/zinc/23/73/62/776237362.db2.gz HQYFWZAKRDTWPJ-GRYCIOLGSA-N 1 1 323.401 -1.475 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100029112 776239851 /nfs/dbraw/zinc/23/98/51/776239851.db2.gz IPUMVHHGCMRDQH-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001100029115 776240122 /nfs/dbraw/zinc/24/01/22/776240122.db2.gz IQRZVKIGZDOQHB-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001100029115 776240132 /nfs/dbraw/zinc/24/01/32/776240132.db2.gz IQRZVKIGZDOQHB-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001100029116 776240213 /nfs/dbraw/zinc/24/02/13/776240213.db2.gz IQRZVKIGZDOQHB-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001100029116 776240220 /nfs/dbraw/zinc/24/02/20/776240220.db2.gz IQRZVKIGZDOQHB-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100029110 776240834 /nfs/dbraw/zinc/24/08/34/776240834.db2.gz IPUMVHHGCMRDQH-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CCCC1 ZINC001100031713 776241698 /nfs/dbraw/zinc/24/16/98/776241698.db2.gz JFEWJTJRMOLFCH-OLZOCXBDSA-N 1 1 313.398 -1.021 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090404654 776241826 /nfs/dbraw/zinc/24/18/26/776241826.db2.gz UDJBHCIDXMOYMR-NWDGAFQWSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090404658 776242029 /nfs/dbraw/zinc/24/20/29/776242029.db2.gz UDJBHCIDXMOYMR-VXGBXAGGSA-N 1 1 322.365 -1.090 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100035323 776243328 /nfs/dbraw/zinc/24/33/28/776243328.db2.gz ZUKMUQFCLZCFRZ-VXGBXAGGSA-N 1 1 301.387 -1.308 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001086133939 776243397 /nfs/dbraw/zinc/24/33/97/776243397.db2.gz LCPJYHIBEJTNTF-MXWKQRLJSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001086135455 776243558 /nfs/dbraw/zinc/24/35/58/776243558.db2.gz HGJWWSHXQCBHQD-AOOOYVTPSA-N 1 1 307.358 -1.072 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001100038350 776244844 /nfs/dbraw/zinc/24/48/44/776244844.db2.gz IJXYVJDITGGMNU-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001100038350 776244848 /nfs/dbraw/zinc/24/48/48/776244848.db2.gz IJXYVJDITGGMNU-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001100038350 776244852 /nfs/dbraw/zinc/24/48/52/776244852.db2.gz IJXYVJDITGGMNU-WDEREUQCSA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086170966 776246516 /nfs/dbraw/zinc/24/65/16/776246516.db2.gz SBPAUTMKILVOEL-OCAPTIKFSA-N 1 1 306.334 -1.968 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ncccn1 ZINC001100040965 776249903 /nfs/dbraw/zinc/24/99/03/776249903.db2.gz CEDQWKZCKOKMMN-NEPJUHHUSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cccnn1 ZINC001100041991 776250655 /nfs/dbraw/zinc/25/06/55/776250655.db2.gz RIYUNUJKFSVRSG-WCQYABFASA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnon1 ZINC001100041342 776250726 /nfs/dbraw/zinc/25/07/26/776250726.db2.gz HYPZPQJFOOXWQU-KOLCDFICSA-N 1 1 300.315 -1.757 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001108256136 776251333 /nfs/dbraw/zinc/25/13/33/776251333.db2.gz RADLJZGNEHRJOX-OAHLLOKOSA-N 1 1 324.381 -1.075 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001108256136 776251341 /nfs/dbraw/zinc/25/13/41/776251341.db2.gz RADLJZGNEHRJOX-OAHLLOKOSA-N 1 1 324.381 -1.075 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001098417111 776251521 /nfs/dbraw/zinc/25/15/21/776251521.db2.gz VISUEZAXURHGHJ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001086228133 776251673 /nfs/dbraw/zinc/25/16/73/776251673.db2.gz XDEWCKVIFZSGNZ-DTORHVGOSA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001086228133 776251676 /nfs/dbraw/zinc/25/16/76/776251676.db2.gz XDEWCKVIFZSGNZ-DTORHVGOSA-N 1 1 321.341 -1.546 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086224132 776251769 /nfs/dbraw/zinc/25/17/69/776251769.db2.gz ZQXJDSNSYUWWIF-DTORHVGOSA-N 1 1 305.346 -1.363 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](O)C1 ZINC001100058809 776254602 /nfs/dbraw/zinc/25/46/02/776254602.db2.gz ZSENTUCQWAKKCM-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2nccnc2N)C1 ZINC001086329061 776255112 /nfs/dbraw/zinc/25/51/12/776255112.db2.gz WOIJQWOIMUQPCM-KYZUINATSA-N 1 1 317.357 -1.120 20 0 DAADMO NC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100066243 776256227 /nfs/dbraw/zinc/25/62/27/776256227.db2.gz FDZPJPLFQIHMGG-NWDGAFQWSA-N 1 1 301.387 -1.034 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100066242 776256537 /nfs/dbraw/zinc/25/65/37/776256537.db2.gz FDZPJPLFQIHMGG-NEPJUHHUSA-N 1 1 301.387 -1.034 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001086350890 776256980 /nfs/dbraw/zinc/25/69/80/776256980.db2.gz OOARGEVNCCAWMD-UMSPYCQHSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001086390498 776260547 /nfs/dbraw/zinc/26/05/47/776260547.db2.gz XKQYIIKNWINDLO-ZPFDUUQYSA-N 1 1 324.385 -1.002 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001086444959 776261957 /nfs/dbraw/zinc/26/19/57/776261957.db2.gz YIYFFXOQQRVIOQ-KYZUINATSA-N 1 1 305.346 -1.065 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100084144 776262212 /nfs/dbraw/zinc/26/22/12/776262212.db2.gz XWVSMLBIFUTYCQ-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100084144 776262215 /nfs/dbraw/zinc/26/22/15/776262215.db2.gz XWVSMLBIFUTYCQ-KBPBESRZSA-N 1 1 317.430 -1.112 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001086461546 776264994 /nfs/dbraw/zinc/26/49/94/776264994.db2.gz WEADGAZPPGLGJE-KYZUINATSA-N 1 1 318.341 -1.408 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086492787 776267281 /nfs/dbraw/zinc/26/72/81/776267281.db2.gz LUSAWQFOPIZLNC-NRPADANISA-N 1 1 322.325 -1.348 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100100615 776267802 /nfs/dbraw/zinc/26/78/02/776267802.db2.gz BQMDDOLTSIVLCW-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100100615 776267807 /nfs/dbraw/zinc/26/78/07/776267807.db2.gz BQMDDOLTSIVLCW-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001098446233 776270077 /nfs/dbraw/zinc/27/00/77/776270077.db2.gz NBTPOWKVBCCKLT-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001098446233 776270090 /nfs/dbraw/zinc/27/00/90/776270090.db2.gz NBTPOWKVBCCKLT-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001098446233 776270097 /nfs/dbraw/zinc/27/00/97/776270097.db2.gz NBTPOWKVBCCKLT-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098447732 776270698 /nfs/dbraw/zinc/27/06/98/776270698.db2.gz VQHNXEJAMGHRKT-SNVBAGLBSA-N 1 1 314.386 -1.732 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001098448869 776270958 /nfs/dbraw/zinc/27/09/58/776270958.db2.gz UZCQHXHGMGQDDR-NSHDSACASA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001098448988 776272180 /nfs/dbraw/zinc/27/21/80/776272180.db2.gz ZXJPTOHYAXAARY-YPMHNXCESA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300998 776272917 /nfs/dbraw/zinc/27/29/17/776272917.db2.gz KMRUNDFRYDMOND-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300998 776272924 /nfs/dbraw/zinc/27/29/24/776272924.db2.gz KMRUNDFRYDMOND-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100118126 776272975 /nfs/dbraw/zinc/27/29/75/776272975.db2.gz VUUAUAMUAVWZJJ-WDEREUQCSA-N 1 1 305.400 -1.503 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300997 776273124 /nfs/dbraw/zinc/27/31/24/776273124.db2.gz KMRUNDFRYDMOND-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300997 776273135 /nfs/dbraw/zinc/27/31/35/776273135.db2.gz KMRUNDFRYDMOND-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168781194 776273535 /nfs/dbraw/zinc/27/35/35/776273535.db2.gz GKUSVXGDUWFTTQ-MRVPVSSYSA-N 1 1 311.346 -1.252 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168781194 776273538 /nfs/dbraw/zinc/27/35/38/776273538.db2.gz GKUSVXGDUWFTTQ-MRVPVSSYSA-N 1 1 311.346 -1.252 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383188 776278466 /nfs/dbraw/zinc/27/84/66/776278466.db2.gz ZDPQFVRWWUJCNK-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383188 776278473 /nfs/dbraw/zinc/27/84/73/776278473.db2.gz ZDPQFVRWWUJCNK-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)ccc1=O ZINC001108382037 776279313 /nfs/dbraw/zinc/27/93/13/776279313.db2.gz HAZPQNXSBSZNFV-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1nc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)ccc1=O ZINC001108382037 776279317 /nfs/dbraw/zinc/27/93/17/776279317.db2.gz HAZPQNXSBSZNFV-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CCC2=O)C[N@H+](CCO)CCO1 ZINC001108387224 776280220 /nfs/dbraw/zinc/28/02/20/776280220.db2.gz QKJIKRLTPJLIDQ-AWEZNQCLSA-N 1 1 313.354 -1.665 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CCC2=O)C[N@@H+](CCO)CCO1 ZINC001108387224 776280230 /nfs/dbraw/zinc/28/02/30/776280230.db2.gz QKJIKRLTPJLIDQ-AWEZNQCLSA-N 1 1 313.354 -1.665 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001108404629 776280303 /nfs/dbraw/zinc/28/03/03/776280303.db2.gz FSAFYHQNTSJLSV-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001108404629 776280311 /nfs/dbraw/zinc/28/03/11/776280311.db2.gz FSAFYHQNTSJLSV-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388251 776280439 /nfs/dbraw/zinc/28/04/39/776280439.db2.gz ZZFIQTROMMGZOB-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CCNC(N)=O)C1 ZINC001108388251 776280444 /nfs/dbraw/zinc/28/04/44/776280444.db2.gz ZZFIQTROMMGZOB-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001108404896 776280583 /nfs/dbraw/zinc/28/05/83/776280583.db2.gz NHYDLLYRMBDFTL-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001108404896 776280584 /nfs/dbraw/zinc/28/05/84/776280584.db2.gz NHYDLLYRMBDFTL-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108404691 776280694 /nfs/dbraw/zinc/28/06/94/776280694.db2.gz HNTVJLNYQQSRRI-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108404691 776280697 /nfs/dbraw/zinc/28/06/97/776280697.db2.gz HNTVJLNYQQSRRI-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CN(CC(N)=O)CCO1 ZINC001108398632 776280801 /nfs/dbraw/zinc/28/08/01/776280801.db2.gz IZHVPCXXLOULKW-AWEZNQCLSA-N 1 1 309.370 -1.116 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108417987 776281147 /nfs/dbraw/zinc/28/11/47/776281147.db2.gz MCLWHMGMGAAKDQ-CQSZACIVSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108417987 776281159 /nfs/dbraw/zinc/28/11/59/776281159.db2.gz MCLWHMGMGAAKDQ-CQSZACIVSA-N 1 1 316.402 -1.107 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001108410692 776281375 /nfs/dbraw/zinc/28/13/75/776281375.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001108410692 776281382 /nfs/dbraw/zinc/28/13/82/776281382.db2.gz TXIMNKWKBSRHAL-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402995 776281938 /nfs/dbraw/zinc/28/19/38/776281938.db2.gz SANLCKFYYZTMHL-CMPLNLGQSA-N 1 1 305.400 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001108402995 776281942 /nfs/dbraw/zinc/28/19/42/776281942.db2.gz SANLCKFYYZTMHL-CMPLNLGQSA-N 1 1 305.400 -1.095 20 0 DAADMO CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421237 776282223 /nfs/dbraw/zinc/28/22/23/776282223.db2.gz IQPGJMQUVUAPPO-AWEZNQCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CCC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421820 776283211 /nfs/dbraw/zinc/28/32/11/776283211.db2.gz XCDAKCMYPOSVMA-CQSZACIVSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421289 776284209 /nfs/dbraw/zinc/28/42/09/776284209.db2.gz KEDUTDCJHLEJLU-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421289 776284218 /nfs/dbraw/zinc/28/42/18/776284218.db2.gz KEDUTDCJHLEJLU-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108446474 776285118 /nfs/dbraw/zinc/28/51/18/776285118.db2.gz AHYXZNUSRDKKKD-QMTHXVAHSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108446474 776285123 /nfs/dbraw/zinc/28/51/23/776285123.db2.gz AHYXZNUSRDKKKD-QMTHXVAHSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108446475 776285549 /nfs/dbraw/zinc/28/55/49/776285549.db2.gz AHYXZNUSRDKKKD-YGRLFVJLSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@]1(CNC(=O)C[C@@H]2CC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108446475 776285556 /nfs/dbraw/zinc/28/55/56/776285556.db2.gz AHYXZNUSRDKKKD-YGRLFVJLSA-N 1 1 313.354 -1.761 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[N@H+](CCO)CCO1 ZINC001108441806 776285684 /nfs/dbraw/zinc/28/56/84/776285684.db2.gz SMDDIMGXWIQYAD-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc(C(N)=O)nc2)C[N@@H+](CCO)CCO1 ZINC001108441806 776285690 /nfs/dbraw/zinc/28/56/90/776285690.db2.gz SMDDIMGXWIQYAD-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC(=O)NCC(=O)NCC(N)=O)C2 ZINC001169122577 776286353 /nfs/dbraw/zinc/28/63/53/776286353.db2.gz AQKCIFVNKCLDJG-RTCCRHLQSA-N 1 1 311.386 -2.081 20 0 DAADMO CCN1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001169244726 776286427 /nfs/dbraw/zinc/28/64/27/776286427.db2.gz SYTOKWCHSYWYQX-INMIOYRUSA-N 1 1 318.414 -1.096 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 ZINC001108493641 776290886 /nfs/dbraw/zinc/29/08/86/776290886.db2.gz UQLVRPNIHKRNGP-DGCLKSJQSA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129334308 776291051 /nfs/dbraw/zinc/29/10/51/776291051.db2.gz LIWXDNMEVHGQSY-SNVBAGLBSA-N 1 1 315.399 -1.012 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C3CC3)CC2=O)C1 ZINC001108493643 776291604 /nfs/dbraw/zinc/29/16/04/776291604.db2.gz UQLVRPNIHKRNGP-YPMHNXCESA-N 1 1 311.382 -1.195 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CNC(=O)C3CC3)CC2=O)C1 ZINC001108510077 776295200 /nfs/dbraw/zinc/29/52/00/776295200.db2.gz OMHTWVFMOVVNHU-LLVKDONJSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CNC(=O)C3CC3)CC2=O)C1 ZINC001108510078 776295409 /nfs/dbraw/zinc/29/54/09/776295409.db2.gz OMHTWVFMOVVNHU-NSHDSACASA-N 1 1 308.382 -1.066 20 0 DAADMO COCCC[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523438 776298174 /nfs/dbraw/zinc/29/81/74/776298174.db2.gz JNRGOWYBVMVZAK-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)NC(N)=O)CC2=O)C1 ZINC001108537392 776299080 /nfs/dbraw/zinc/29/90/80/776299080.db2.gz OMEYIMZJRHHYFG-UWVGGRQHSA-N 1 1 311.386 -1.147 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129342334 776299215 /nfs/dbraw/zinc/29/92/15/776299215.db2.gz KBBOQCVVGOJMBO-MNOVXSKESA-N 1 1 321.345 -2.311 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129342334 776299224 /nfs/dbraw/zinc/29/92/24/776299224.db2.gz KBBOQCVVGOJMBO-MNOVXSKESA-N 1 1 321.345 -2.311 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108537452 776299726 /nfs/dbraw/zinc/29/97/26/776299726.db2.gz PBHZMTGNRKCATE-SNVBAGLBSA-N 1 1 314.361 -1.117 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566013 776306775 /nfs/dbraw/zinc/30/67/75/776306775.db2.gz CJUXPMDAIPFDMC-WCBMZHEXSA-N 1 1 314.342 -3.120 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001169890740 776307485 /nfs/dbraw/zinc/30/74/85/776307485.db2.gz RLRDYANPOZVKEC-ZWNOBZJWSA-N 1 1 301.343 -1.316 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108581058 776308447 /nfs/dbraw/zinc/30/84/47/776308447.db2.gz GTXPNDBWUNYXEX-JTQLQIEISA-N 1 1 307.358 -1.516 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)CCn3cnnn3)CC2=O)C1 ZINC001108580251 776308624 /nfs/dbraw/zinc/30/86/24/776308624.db2.gz DWBDDKGKGTUVPM-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C3(C(=O)NC)CC3)CC2=O)C1 ZINC001108580916 776309484 /nfs/dbraw/zinc/30/94/84/776309484.db2.gz WIWJUFJYPHKBHI-JTQLQIEISA-N 1 1 308.382 -1.066 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)CCNC(N)=O)CC2=O)C1 ZINC001108590824 776310198 /nfs/dbraw/zinc/31/01/98/776310198.db2.gz OPRJRPPEAQKWSH-SNVBAGLBSA-N 1 1 311.386 -1.144 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100126106 776313405 /nfs/dbraw/zinc/31/34/05/776313405.db2.gz BOCGYFUNZNNVNL-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001108877020 776316182 /nfs/dbraw/zinc/31/61/82/776316182.db2.gz MQNBNPLKUXJRMG-RHYQMDGZSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001108877020 776316194 /nfs/dbraw/zinc/31/61/94/776316194.db2.gz MQNBNPLKUXJRMG-RHYQMDGZSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919322 776318037 /nfs/dbraw/zinc/31/80/37/776318037.db2.gz UMAJIIOIBNGNPR-VWYCJHECSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108919322 776318044 /nfs/dbraw/zinc/31/80/44/776318044.db2.gz UMAJIIOIBNGNPR-VWYCJHECSA-N 1 1 311.386 -1.099 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001108919205 776318217 /nfs/dbraw/zinc/31/82/17/776318217.db2.gz QJLLZQKYEIHSQQ-VWYCJHECSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001108919205 776318226 /nfs/dbraw/zinc/31/82/26/776318226.db2.gz QJLLZQKYEIHSQQ-VWYCJHECSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001108916883 776319754 /nfs/dbraw/zinc/31/97/54/776319754.db2.gz NTOJDHKIFHQBDZ-XFWSIPNHSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001108916883 776319764 /nfs/dbraw/zinc/31/97/64/776319764.db2.gz NTOJDHKIFHQBDZ-XFWSIPNHSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001108915930 776319825 /nfs/dbraw/zinc/31/98/25/776319825.db2.gz DMLOKKJPZQOWNL-VWYCJHECSA-N 1 1 307.358 -1.332 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001108916407 776319857 /nfs/dbraw/zinc/31/98/57/776319857.db2.gz IUYVLCCRDIMLSC-VWYCJHECSA-N 1 1 324.385 -1.599 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001108917298 776320686 /nfs/dbraw/zinc/32/06/86/776320686.db2.gz ZTFPSGSKPCIXPF-VWYCJHECSA-N 1 1 300.359 -1.615 20 0 DAADMO COC(=O)c1c[nH+]ccc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169977047 776324416 /nfs/dbraw/zinc/32/44/16/776324416.db2.gz LKOBXFVIIRHCPL-VDWIVTDKSA-N 1 1 314.294 -2.498 20 0 DAADMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)nn1C ZINC001090423471 776324477 /nfs/dbraw/zinc/32/44/77/776324477.db2.gz PZDGRGFWDXIBTM-ZYHUDNBSSA-N 1 1 312.370 -1.024 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001109068415 776325083 /nfs/dbraw/zinc/32/50/83/776325083.db2.gz VOHOOLPVTIYQAY-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC001090423480 776325163 /nfs/dbraw/zinc/32/51/63/776325163.db2.gz QFPQCXCXMWGYDG-CMPLNLGQSA-N 1 1 310.354 -1.177 20 0 DAADMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1C ZINC001090423469 776325490 /nfs/dbraw/zinc/32/54/90/776325490.db2.gz PZDGRGFWDXIBTM-JQWIXIFHSA-N 1 1 312.370 -1.024 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109106381 776326088 /nfs/dbraw/zinc/32/60/88/776326088.db2.gz NWTLMNOANUXASH-WOPDTQHZSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109106381 776326096 /nfs/dbraw/zinc/32/60/96/776326096.db2.gz NWTLMNOANUXASH-WOPDTQHZSA-N 1 1 324.381 -1.558 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109192144 776329754 /nfs/dbraw/zinc/32/97/54/776329754.db2.gz GRAMWOSHMGRPOT-VPOLOUISSA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109192144 776329762 /nfs/dbraw/zinc/32/97/62/776329762.db2.gz GRAMWOSHMGRPOT-VPOLOUISSA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109235552 776330430 /nfs/dbraw/zinc/33/04/30/776330430.db2.gz SZWHAJRUQUEPSQ-NOOOWODRSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109235552 776330440 /nfs/dbraw/zinc/33/04/40/776330440.db2.gz SZWHAJRUQUEPSQ-NOOOWODRSA-N 1 1 323.397 -1.085 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)nn1 ZINC001129387475 776331566 /nfs/dbraw/zinc/33/15/66/776331566.db2.gz VDXXJKDKZHTBQM-ZDUSSCGKSA-N 1 1 320.401 -1.152 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)nn1 ZINC001129387465 776331690 /nfs/dbraw/zinc/33/16/90/776331690.db2.gz VDXXJKDKZHTBQM-CYBMUJFWSA-N 1 1 320.401 -1.152 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109364025 776332582 /nfs/dbraw/zinc/33/25/82/776332582.db2.gz KMIQKAZFUMRXAA-VWYCJHECSA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109374331 776332817 /nfs/dbraw/zinc/33/28/17/776332817.db2.gz CPGQUGZEEBYPAY-WOPDTQHZSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109374331 776332820 /nfs/dbraw/zinc/33/28/20/776332820.db2.gz CPGQUGZEEBYPAY-WOPDTQHZSA-N 1 1 323.397 -1.085 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109300696 776333318 /nfs/dbraw/zinc/33/33/18/776333318.db2.gz ALAMIRUVEWZSJG-WOPDTQHZSA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109300696 776333326 /nfs/dbraw/zinc/33/33/26/776333326.db2.gz ALAMIRUVEWZSJG-WOPDTQHZSA-N 1 1 321.385 -1.081 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109293118 776333988 /nfs/dbraw/zinc/33/39/88/776333988.db2.gz WOJPLBCUDUVYIU-WYUUTHIRSA-N 1 1 310.358 -1.598 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001109293117 776334037 /nfs/dbraw/zinc/33/40/37/776334037.db2.gz WOJPLBCUDUVYIU-RHYQMDGZSA-N 1 1 310.358 -1.598 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100129358 776334101 /nfs/dbraw/zinc/33/41/01/776334101.db2.gz LCVANYBIXZNVTO-QWRGUYRKSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100129358 776334111 /nfs/dbraw/zinc/33/41/11/776334111.db2.gz LCVANYBIXZNVTO-QWRGUYRKSA-N 1 1 308.400 -1.645 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109293028 776334452 /nfs/dbraw/zinc/33/44/52/776334452.db2.gz RPQLBGHRLYBOIZ-WOPDTQHZSA-N 1 1 310.358 -1.597 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001109375511 776335361 /nfs/dbraw/zinc/33/53/61/776335361.db2.gz CBPFUWADUKIUOH-NOOOWODRSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001109375511 776335374 /nfs/dbraw/zinc/33/53/74/776335374.db2.gz CBPFUWADUKIUOH-NOOOWODRSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109459470 776335723 /nfs/dbraw/zinc/33/57/23/776335723.db2.gz ODGOOWPKWBBMBA-WOPDTQHZSA-N 1 1 312.370 -2.048 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001090426094 776336323 /nfs/dbraw/zinc/33/63/23/776336323.db2.gz USVQMKKLDLCTIP-GHMZBOCLSA-N 1 1 320.353 -1.100 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001109596264 776337729 /nfs/dbraw/zinc/33/77/29/776337729.db2.gz KPCIHMQZEPWUSX-RHYQMDGZSA-N 1 1 308.382 -1.020 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001109596264 776337739 /nfs/dbraw/zinc/33/77/39/776337739.db2.gz KPCIHMQZEPWUSX-RHYQMDGZSA-N 1 1 308.382 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109564629 776337765 /nfs/dbraw/zinc/33/77/65/776337765.db2.gz ZKUZTGNJSRVOEZ-UTLUCORTSA-N 1 1 306.388 -2.246 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109564410 776339250 /nfs/dbraw/zinc/33/92/50/776339250.db2.gz PXXZEQBJFGKTOO-VWYCJHECSA-N 1 1 320.415 -1.856 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CCNC1=O ZINC001109595038 776339472 /nfs/dbraw/zinc/33/94/72/776339472.db2.gz MOPDBISWCNZABT-VOAKCMCISA-N 1 1 311.382 -1.147 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115357819 776343069 /nfs/dbraw/zinc/34/30/69/776343069.db2.gz BGFGFVMFNUXSLE-YABSGUDNSA-N 1 1 306.370 -1.460 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115357819 776343090 /nfs/dbraw/zinc/34/30/90/776343090.db2.gz BGFGFVMFNUXSLE-YABSGUDNSA-N 1 1 306.370 -1.460 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2nccn2c1 ZINC001090430153 776343688 /nfs/dbraw/zinc/34/36/88/776343688.db2.gz JLQKBEAEDBDAGD-VXGBXAGGSA-N 1 1 305.338 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881473 776344153 /nfs/dbraw/zinc/34/41/53/776344153.db2.gz UZWBVADRQQAHAZ-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881473 776344161 /nfs/dbraw/zinc/34/41/61/776344161.db2.gz UZWBVADRQQAHAZ-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2nccn2c1 ZINC001090430150 776344575 /nfs/dbraw/zinc/34/45/75/776344575.db2.gz JLQKBEAEDBDAGD-NWDGAFQWSA-N 1 1 305.338 -1.113 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109882932 776344975 /nfs/dbraw/zinc/34/49/75/776344975.db2.gz WEMYUSWJTKWEBE-WYUUTHIRSA-N 1 1 321.385 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109882932 776344981 /nfs/dbraw/zinc/34/49/81/776344981.db2.gz WEMYUSWJTKWEBE-WYUUTHIRSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001090431783 776345848 /nfs/dbraw/zinc/34/58/48/776345848.db2.gz CUIJRIXKJXQLPS-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431667 776346210 /nfs/dbraw/zinc/34/62/10/776346210.db2.gz BCBJMQIZLNGCAI-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001090440391 776350262 /nfs/dbraw/zinc/35/02/62/776350262.db2.gz CSJJUFURALYXDQ-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112603092 776350441 /nfs/dbraw/zinc/35/04/41/776350441.db2.gz IAKSBHHBGBLAEH-GXTWGEPZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001110080594 776350625 /nfs/dbraw/zinc/35/06/25/776350625.db2.gz HZRMYSZMHZTPAF-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001110080594 776350633 /nfs/dbraw/zinc/35/06/33/776350633.db2.gz HZRMYSZMHZTPAF-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001110080595 776351180 /nfs/dbraw/zinc/35/11/80/776351180.db2.gz HZRMYSZMHZTPAF-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNC(N)=O)C3)C1=O ZINC001110080595 776351188 /nfs/dbraw/zinc/35/11/88/776351188.db2.gz HZRMYSZMHZTPAF-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO CC(=O)NCCOCC[NH+]1CCN(C(=O)CNC(N)=O)CC1 ZINC001112606564 776352553 /nfs/dbraw/zinc/35/25/53/776352553.db2.gz CTLNEAPNLOSQMV-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC001090442017 776354823 /nfs/dbraw/zinc/35/48/23/776354823.db2.gz OHNHCAUVBAOULL-PWSUYJOCSA-N 1 1 320.353 -1.479 20 0 DAADMO Cc1cc(N2C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C2)nc(C)[nH+]1 ZINC001112722478 776364133 /nfs/dbraw/zinc/36/41/33/776364133.db2.gz HWMUCORFOIQRFG-QWRGUYRKSA-N 1 1 307.354 -1.118 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112732523 776365860 /nfs/dbraw/zinc/36/58/60/776365860.db2.gz PCOGXEIVTLGSFV-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001090442910 776366110 /nfs/dbraw/zinc/36/61/10/776366110.db2.gz UIZJYEORAYHMBH-STQMWFEESA-N 1 1 311.386 -1.226 20 0 DAADMO CCCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739564 776369003 /nfs/dbraw/zinc/36/90/03/776369003.db2.gz CZQYBHAHWUCFGD-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCCNC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739564 776369010 /nfs/dbraw/zinc/36/90/10/776369010.db2.gz CZQYBHAHWUCFGD-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCc1cc(N2C[C@@H](CNC(=O)C(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001112751659 776370345 /nfs/dbraw/zinc/37/03/45/776370345.db2.gz RYRNYGKSRNUANT-MWLCHTKSSA-N 1 1 307.354 -1.254 20 0 DAADMO CCc1nc(N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001112752128 776371447 /nfs/dbraw/zinc/37/14/47/776371447.db2.gz ZRQKWSCTFAOSEE-ZJUUUORDSA-N 1 1 307.354 -1.254 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001112793921 776375439 /nfs/dbraw/zinc/37/54/39/776375439.db2.gz PAYOSPKGXWHSMH-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001112865099 776381203 /nfs/dbraw/zinc/38/12/03/776381203.db2.gz TZHUICZAFUZTDP-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(CC(=O)NC(N)=O)CC2)CC[N@H+]1C ZINC001112864923 776381928 /nfs/dbraw/zinc/38/19/28/776381928.db2.gz JWZSECVDYOZKIR-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CNC(=O)NCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112929889 776385224 /nfs/dbraw/zinc/38/52/24/776385224.db2.gz SJNAQCVATVPQDH-LBPRGKRZSA-N 1 1 324.385 -1.683 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001112969671 776386710 /nfs/dbraw/zinc/38/67/10/776386710.db2.gz VPMBJAFZAQZBRT-GFCCVEGCSA-N 1 1 315.370 -2.003 20 0 DAADMO COC[C@@H](O)CN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007355 776388261 /nfs/dbraw/zinc/38/82/61/776388261.db2.gz PXGGFERAWCCLIT-HZSPNIEDSA-N 1 1 315.414 -1.143 20 0 DAADMO COC[C@@H](O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007355 776388268 /nfs/dbraw/zinc/38/82/68/776388268.db2.gz PXGGFERAWCCLIT-HZSPNIEDSA-N 1 1 315.414 -1.143 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113019056 776388490 /nfs/dbraw/zinc/38/84/90/776388490.db2.gz HTSPTZLSFUVJKM-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001113047151 776389933 /nfs/dbraw/zinc/38/99/33/776389933.db2.gz VPFBUHUYPZUCTR-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001113064908 776390144 /nfs/dbraw/zinc/39/01/44/776390144.db2.gz RSOLKJVPWQQFRU-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCCCNC(N)=O)CC1 ZINC001113078350 776391494 /nfs/dbraw/zinc/39/14/94/776391494.db2.gz CHUYNOBPOOACMV-LBPRGKRZSA-N 1 1 316.402 -1.024 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464653 776393760 /nfs/dbraw/zinc/39/37/60/776393760.db2.gz FJPKFVCXJZVPOB-UHFFFAOYSA-N 1 1 315.330 -3.048 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)CC(=O)NC2CC2)CC1 ZINC001098464581 776394241 /nfs/dbraw/zinc/39/42/41/776394241.db2.gz BYZKUOYBJOOMMY-UHFFFAOYSA-N 1 1 312.370 -1.964 20 0 DAADMO Cc1nn(C)cc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465030 776395036 /nfs/dbraw/zinc/39/50/36/776395036.db2.gz SGDNQSWBMPTZLR-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1nnc(C[N@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)o1 ZINC001098465051 776396263 /nfs/dbraw/zinc/39/62/63/776396263.db2.gz UHDYTOOIEPQGPG-UHFFFAOYSA-N 1 1 311.342 -1.351 20 0 DAADMO Cc1nnc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)o1 ZINC001098465051 776396276 /nfs/dbraw/zinc/39/62/76/776396276.db2.gz UHDYTOOIEPQGPG-UHFFFAOYSA-N 1 1 311.342 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465041 776396558 /nfs/dbraw/zinc/39/65/58/776396558.db2.gz SYUGEZIEYKYKQI-UHFFFAOYSA-N 1 1 300.359 -2.155 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001113190541 776397873 /nfs/dbraw/zinc/39/78/73/776397873.db2.gz OTXTYQNLEZYSHG-QWRGUYRKSA-N 1 1 300.359 -1.839 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001113193743 776398168 /nfs/dbraw/zinc/39/81/68/776398168.db2.gz PNTPLYYYOZXPOO-CHWSQXEVSA-N 1 1 323.397 -1.100 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001113283439 776401434 /nfs/dbraw/zinc/40/14/34/776401434.db2.gz KSBCWQNSVVZLOR-LLVKDONJSA-N 1 1 323.415 -1.793 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)CCn2cncn2)CC1 ZINC001098465378 776401626 /nfs/dbraw/zinc/40/16/26/776401626.db2.gz MJRHCWWUQRDWTR-UHFFFAOYSA-N 1 1 310.358 -1.951 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465613 776402790 /nfs/dbraw/zinc/40/27/90/776402790.db2.gz YKKYNASMVDJMCC-NSHDSACASA-N 1 1 303.359 -2.236 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001113343284 776402834 /nfs/dbraw/zinc/40/28/34/776402834.db2.gz CNNYCFLNXWGTCW-GRYCIOLGSA-N 1 1 315.370 -1.829 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001113349467 776402869 /nfs/dbraw/zinc/40/28/69/776402869.db2.gz XYSHFFKNVXKUGF-UPJWGTAASA-N 1 1 313.398 -1.138 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001113349464 776402895 /nfs/dbraw/zinc/40/28/95/776402895.db2.gz XMKOIEWBMSXEET-SNVBAGLBSA-N 1 1 310.354 -1.121 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)co1 ZINC001090450157 776403122 /nfs/dbraw/zinc/40/31/22/776403122.db2.gz UIVAFSWRYLLZQJ-WDEREUQCSA-N 1 1 311.338 -1.074 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001098466418 776404374 /nfs/dbraw/zinc/40/43/74/776404374.db2.gz CJZYZASLWLRQLE-UHFFFAOYSA-N 1 1 312.370 -1.978 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001113406933 776405547 /nfs/dbraw/zinc/40/55/47/776405547.db2.gz FSMCKKRRIKWNBJ-JQWIXIFHSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(N)=O ZINC001113405899 776405582 /nfs/dbraw/zinc/40/55/82/776405582.db2.gz IKDWVZMFPOLXJK-KOLCDFICSA-N 1 1 300.359 -2.109 20 0 DAADMO COC[C@@H](O)CN1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432055 776407062 /nfs/dbraw/zinc/40/70/62/776407062.db2.gz IPRCFZAMSZMRGE-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCN(CCOCCO)CC1 ZINC001113432244 776407555 /nfs/dbraw/zinc/40/75/55/776407555.db2.gz UBEVEFMXJSEKOV-UHFFFAOYSA-N 1 1 315.414 -1.138 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001113437828 776408606 /nfs/dbraw/zinc/40/86/06/776408606.db2.gz NWBONSFHXLTLFU-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001113457939 776408621 /nfs/dbraw/zinc/40/86/21/776408621.db2.gz KTYLBGGKTOOQAM-LLVKDONJSA-N 1 1 310.354 -1.121 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1csnn1 ZINC001090452705 776412448 /nfs/dbraw/zinc/41/24/48/776412448.db2.gz OQINKVAYOYQSGP-MWLCHTKSSA-N 1 1 323.382 -1.005 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001113608925 776413869 /nfs/dbraw/zinc/41/38/69/776413869.db2.gz SDFNQGDIUMAGGZ-NSHDSACASA-N 1 1 310.354 -1.455 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113586658 776414210 /nfs/dbraw/zinc/41/42/10/776414210.db2.gz YAPNGXNGOOCHNN-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634736 776416088 /nfs/dbraw/zinc/41/60/88/776416088.db2.gz RZKWBXOIYCBLNM-UHFFFAOYSA-N 1 1 322.369 -1.209 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113631668 776416161 /nfs/dbraw/zinc/41/61/61/776416161.db2.gz FKNRPPKZBYDURZ-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679545 776417513 /nfs/dbraw/zinc/41/75/13/776417513.db2.gz YCQAAFKUYGGAMW-LLVKDONJSA-N 1 1 310.358 -2.081 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679147 776417818 /nfs/dbraw/zinc/41/78/18/776417818.db2.gz DRNSMHWCYVIZGI-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018070 776418232 /nfs/dbraw/zinc/41/82/32/776418232.db2.gz LQYBCQPALGEMFN-KLBPJQLPSA-N 1 1 307.358 -1.627 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018417 776418869 /nfs/dbraw/zinc/41/88/69/776418869.db2.gz RTINVCRJAQFJAX-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115018417 776418870 /nfs/dbraw/zinc/41/88/70/776418870.db2.gz RTINVCRJAQFJAX-IWIIMEHWSA-N 1 1 307.358 -1.754 20 0 DAADMO C[C@H](O)CCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001113681089 776419223 /nfs/dbraw/zinc/41/92/23/776419223.db2.gz DOXJOZQOFBVBGI-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001113740789 776419986 /nfs/dbraw/zinc/41/99/86/776419986.db2.gz XJUIEWBIOAZUED-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001113763973 776421672 /nfs/dbraw/zinc/42/16/72/776421672.db2.gz CNQQUVBLHDYMAY-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001113763973 776421678 /nfs/dbraw/zinc/42/16/78/776421678.db2.gz CNQQUVBLHDYMAY-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001113750418 776421779 /nfs/dbraw/zinc/42/17/79/776421779.db2.gz TXRRISWQNIMJLE-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001113750418 776421783 /nfs/dbraw/zinc/42/17/83/776421783.db2.gz TXRRISWQNIMJLE-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(C)=O)C1=O ZINC001113793477 776422646 /nfs/dbraw/zinc/42/26/46/776422646.db2.gz LDRSCRJDQUVUSS-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001113793664 776422655 /nfs/dbraw/zinc/42/26/55/776422655.db2.gz OJZIZCCSHJUIOJ-HBYGRHMLSA-N 1 1 322.365 -1.682 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001113793169 776422694 /nfs/dbraw/zinc/42/26/94/776422694.db2.gz GZSYTNKZSDJIPZ-FJJYHAOUSA-N 1 1 318.381 -1.052 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113766870 776422784 /nfs/dbraw/zinc/42/27/84/776422784.db2.gz LQYQTXDGXUXGIS-CIQGVGRVSA-N 1 1 302.371 -1.297 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001113792614 776422818 /nfs/dbraw/zinc/42/28/18/776422818.db2.gz ADJQYMCVMOOHRF-JYAVWHMHSA-N 1 1 310.398 -1.059 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001113792614 776422821 /nfs/dbraw/zinc/42/28/21/776422821.db2.gz ADJQYMCVMOOHRF-JYAVWHMHSA-N 1 1 310.398 -1.059 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC001113777932 776422899 /nfs/dbraw/zinc/42/28/99/776422899.db2.gz ULBOFMJLBRZVHL-IAZYJMLFSA-N 1 1 303.322 -1.064 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC001113777932 776422906 /nfs/dbraw/zinc/42/29/06/776422906.db2.gz ULBOFMJLBRZVHL-IAZYJMLFSA-N 1 1 303.322 -1.064 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113793766 776423304 /nfs/dbraw/zinc/42/33/04/776423304.db2.gz QJOPYZZGGKWEJM-IWIIMEHWSA-N 1 1 323.353 -2.279 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001113787794 776423729 /nfs/dbraw/zinc/42/37/29/776423729.db2.gz SMKQGUYBGXCBGG-CZXHOFHRSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113788030 776423855 /nfs/dbraw/zinc/42/38/55/776423855.db2.gz XMKTZVMOTNNPPR-COMAGPEQSA-N 1 1 308.338 -2.026 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113790092 776424079 /nfs/dbraw/zinc/42/40/79/776424079.db2.gz FKVGVJGTAWTZPL-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC001113790092 776424082 /nfs/dbraw/zinc/42/40/82/776424082.db2.gz FKVGVJGTAWTZPL-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC ZINC001113822111 776425099 /nfs/dbraw/zinc/42/50/99/776425099.db2.gz KLZSASHGVJKYFK-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC ZINC001113822111 776425103 /nfs/dbraw/zinc/42/51/03/776425103.db2.gz KLZSASHGVJKYFK-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[n+]([O-])cc1 ZINC001113805488 776425131 /nfs/dbraw/zinc/42/51/31/776425131.db2.gz DZQNSYZRDTZNBX-MQYQWHSLSA-N 1 1 307.350 -1.013 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113805737 776425223 /nfs/dbraw/zinc/42/52/23/776425223.db2.gz HPORYPAWOUAEEZ-WYOJIJJFSA-N 1 1 324.337 -1.496 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCO1 ZINC001113805737 776425227 /nfs/dbraw/zinc/42/52/27/776425227.db2.gz HPORYPAWOUAEEZ-WYOJIJJFSA-N 1 1 324.337 -1.496 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113824711 776425910 /nfs/dbraw/zinc/42/59/10/776425910.db2.gz ARDKGOQNAOQUTE-WGNDUZGJSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113824711 776425914 /nfs/dbraw/zinc/42/59/14/776425914.db2.gz ARDKGOQNAOQUTE-WGNDUZGJSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001113824727 776426524 /nfs/dbraw/zinc/42/65/24/776426524.db2.gz AXSUCFFQRKFHFR-XEZLXBQYSA-N 1 1 306.370 -1.151 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnco1 ZINC001090467674 776427467 /nfs/dbraw/zinc/42/74/67/776427467.db2.gz TZSOTRQOUYUPID-GHMZBOCLSA-N 1 1 323.353 -1.135 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CCC(=O)NC2=O)o1 ZINC001170339688 776427959 /nfs/dbraw/zinc/42/79/59/776427959.db2.gz GFICWXQYHUCXFS-UHFFFAOYSA-N 1 1 324.341 -1.084 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001113831877 776428380 /nfs/dbraw/zinc/42/83/80/776428380.db2.gz VOBRZHSUXRYXHS-KXNHARMFSA-N 1 1 317.411 -1.239 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001113831877 776428386 /nfs/dbraw/zinc/42/83/86/776428386.db2.gz VOBRZHSUXRYXHS-KXNHARMFSA-N 1 1 317.411 -1.239 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833672 776428698 /nfs/dbraw/zinc/42/86/98/776428698.db2.gz HTAOYSPPJZPVNS-PUHVVEEASA-N 1 1 321.385 -1.366 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833672 776428703 /nfs/dbraw/zinc/42/87/03/776428703.db2.gz HTAOYSPPJZPVNS-PUHVVEEASA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834230 776429257 /nfs/dbraw/zinc/42/92/57/776429257.db2.gz RBZCUBKTPUMEDS-QHOPCYEYSA-N 1 1 322.329 -2.697 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834230 776429264 /nfs/dbraw/zinc/42/92/64/776429264.db2.gz RBZCUBKTPUMEDS-QHOPCYEYSA-N 1 1 322.329 -2.697 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834172 776429307 /nfs/dbraw/zinc/42/93/07/776429307.db2.gz QIYUDRYEELYNKL-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833675 776429365 /nfs/dbraw/zinc/42/93/65/776429365.db2.gz HTOBEUWWLYSGJE-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113836638 776430158 /nfs/dbraw/zinc/43/01/58/776430158.db2.gz QEFNZGDKHHUSPU-GDGBQDQQSA-N 1 1 312.395 -1.052 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cn1 ZINC001113842353 776430380 /nfs/dbraw/zinc/43/03/80/776430380.db2.gz RCCWCQNOUJEBGF-PJXYFTJBSA-N 1 1 306.370 -1.323 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113836043 776430596 /nfs/dbraw/zinc/43/05/96/776430596.db2.gz GHHBPAANCLGSLS-QHOPCYEYSA-N 1 1 300.384 -1.021 20 0 DAADMO CSCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113836043 776430600 /nfs/dbraw/zinc/43/06/00/776430600.db2.gz GHHBPAANCLGSLS-QHOPCYEYSA-N 1 1 300.384 -1.021 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113841483 776430654 /nfs/dbraw/zinc/43/06/54/776430654.db2.gz BOCSBMSNTRQBOP-CPOMMVLXSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113841483 776430658 /nfs/dbraw/zinc/43/06/58/776430658.db2.gz BOCSBMSNTRQBOP-CPOMMVLXSA-N 1 1 320.353 -1.337 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113851449 776431484 /nfs/dbraw/zinc/43/14/84/776431484.db2.gz CLABKPRUFDXWCK-VROVMSAKSA-N 1 1 324.341 -2.747 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842771 776431647 /nfs/dbraw/zinc/43/16/47/776431647.db2.gz ZGWNCWZIJUCMSN-JZYVYDRUSA-N 1 1 318.399 -1.864 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113842771 776431652 /nfs/dbraw/zinc/43/16/52/776431652.db2.gz ZGWNCWZIJUCMSN-JZYVYDRUSA-N 1 1 318.399 -1.864 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854694 776431846 /nfs/dbraw/zinc/43/18/46/776431846.db2.gz MFBQZPYUFRWTON-SVDPJWKOSA-N 1 1 320.353 -1.487 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854694 776431851 /nfs/dbraw/zinc/43/18/51/776431851.db2.gz MFBQZPYUFRWTON-SVDPJWKOSA-N 1 1 320.353 -1.487 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113850086 776432478 /nfs/dbraw/zinc/43/24/78/776432478.db2.gz PYRQDSBGMLYVPH-IWIIMEHWSA-N 1 1 309.370 -1.773 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113850086 776432483 /nfs/dbraw/zinc/43/24/83/776432483.db2.gz PYRQDSBGMLYVPH-IWIIMEHWSA-N 1 1 309.370 -1.773 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849364 776432491 /nfs/dbraw/zinc/43/24/91/776432491.db2.gz KHGSWECKEPSRAB-PJXYFTJBSA-N 1 1 306.370 -1.057 20 0 DAADMO Cc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cn1 ZINC001113848728 776432757 /nfs/dbraw/zinc/43/27/57/776432757.db2.gz DXIHXCKRKGOQLA-PJXYFTJBSA-N 1 1 304.354 -1.000 20 0 DAADMO Cc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cn1 ZINC001113848728 776432761 /nfs/dbraw/zinc/43/27/61/776432761.db2.gz DXIHXCKRKGOQLA-PJXYFTJBSA-N 1 1 304.354 -1.000 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)C1=O ZINC001113850709 776433364 /nfs/dbraw/zinc/43/33/64/776433364.db2.gz XLOAEEVBAFYNRI-KLBPJQLPSA-N 1 1 309.370 -1.678 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2cncn2)C1=O ZINC001113878933 776433665 /nfs/dbraw/zinc/43/36/65/776433665.db2.gz UTUZPNQPZDJMAM-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cccn1 ZINC001113876674 776433744 /nfs/dbraw/zinc/43/37/44/776433744.db2.gz VWXYQHKQEBNIFD-IWIIMEHWSA-N 1 1 320.353 -1.486 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cccn1 ZINC001113876674 776433748 /nfs/dbraw/zinc/43/37/48/776433748.db2.gz VWXYQHKQEBNIFD-IWIIMEHWSA-N 1 1 320.353 -1.486 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001113871004 776434639 /nfs/dbraw/zinc/43/46/39/776434639.db2.gz NTTDJCMIUQBKKA-IMRBUKKESA-N 1 1 309.370 -1.277 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113870720 776434762 /nfs/dbraw/zinc/43/47/62/776434762.db2.gz JACBNEALBDTXPZ-NMKXLXIOSA-N 1 1 309.370 -1.278 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113893916 776436069 /nfs/dbraw/zinc/43/60/69/776436069.db2.gz OVDIGWCJCUNIAZ-REIXXSIJSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113893916 776436073 /nfs/dbraw/zinc/43/60/73/776436073.db2.gz OVDIGWCJCUNIAZ-REIXXSIJSA-N 1 1 320.353 -1.086 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1 ZINC001113913934 776436746 /nfs/dbraw/zinc/43/67/46/776436746.db2.gz UNHCHWVYHPJZRU-DNJQJEMRSA-N 1 1 310.354 -1.203 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1 ZINC001113913934 776436751 /nfs/dbraw/zinc/43/67/51/776436751.db2.gz UNHCHWVYHPJZRU-DNJQJEMRSA-N 1 1 310.354 -1.203 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001113912831 776437029 /nfs/dbraw/zinc/43/70/29/776437029.db2.gz BZOBWESULHJSRF-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113917179 776437110 /nfs/dbraw/zinc/43/71/10/776437110.db2.gz SORRJMIUFJVZHY-CPOMMVLXSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113917179 776437112 /nfs/dbraw/zinc/43/71/12/776437112.db2.gz SORRJMIUFJVZHY-CPOMMVLXSA-N 1 1 320.353 -1.086 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)n[nH]1 ZINC001157744607 776437568 /nfs/dbraw/zinc/43/75/68/776437568.db2.gz CBTRNSVLFOQYDE-UHFFFAOYSA-N 1 1 318.403 -1.699 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001113937686 776437706 /nfs/dbraw/zinc/43/77/06/776437706.db2.gz JWBNRYGWQBROOE-XZUYRWCXSA-N 1 1 306.366 -1.553 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113939670 776438152 /nfs/dbraw/zinc/43/81/52/776438152.db2.gz DQWGBQZQQVXOPE-SRRSOLGSSA-N 1 1 308.382 -1.177 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113944881 776438707 /nfs/dbraw/zinc/43/87/07/776438707.db2.gz LYDZBJBEFXBLDG-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113945677 776438751 /nfs/dbraw/zinc/43/87/51/776438751.db2.gz WGJZQRBHJLGOKH-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113945677 776438754 /nfs/dbraw/zinc/43/87/54/776438754.db2.gz WGJZQRBHJLGOKH-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113946068 776438851 /nfs/dbraw/zinc/43/88/51/776438851.db2.gz ZDSJKKCXAZVQEE-IWIIMEHWSA-N 1 1 310.354 -1.333 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113946068 776438861 /nfs/dbraw/zinc/43/88/61/776438861.db2.gz ZDSJKKCXAZVQEE-IWIIMEHWSA-N 1 1 310.354 -1.333 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC001113948224 776438933 /nfs/dbraw/zinc/43/89/33/776438933.db2.gz OLEHNEGLBAXIFN-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC001113948224 776438938 /nfs/dbraw/zinc/43/89/38/776438938.db2.gz OLEHNEGLBAXIFN-GDGBQDQQSA-N 1 1 320.353 -1.166 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC001113944710 776438965 /nfs/dbraw/zinc/43/89/65/776438965.db2.gz ITAMATSKLHVOMW-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC001113944710 776438971 /nfs/dbraw/zinc/43/89/71/776438971.db2.gz ITAMATSKLHVOMW-MTBHXBHISA-N 1 1 309.351 -1.002 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113944612 776439038 /nfs/dbraw/zinc/43/90/38/776439038.db2.gz GPGTXSXUBSVCFQ-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113944612 776439046 /nfs/dbraw/zinc/43/90/46/776439046.db2.gz GPGTXSXUBSVCFQ-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113945689 776439309 /nfs/dbraw/zinc/43/93/09/776439309.db2.gz WJEYTCXOGWUATB-IWIIMEHWSA-N 1 1 312.370 -1.133 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001113948259 776439808 /nfs/dbraw/zinc/43/98/08/776439808.db2.gz OTCNGDAXDGDFFW-MIZYBKAJSA-N 1 1 310.354 -1.381 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001113973765 776439817 /nfs/dbraw/zinc/43/98/17/776439817.db2.gz JXFGEGXLJJZLFM-LOKLDPHHSA-N 1 1 301.368 -2.034 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001113973765 776439818 /nfs/dbraw/zinc/43/98/18/776439818.db2.gz JXFGEGXLJJZLFM-LOKLDPHHSA-N 1 1 301.368 -2.034 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001113948258 776440208 /nfs/dbraw/zinc/44/02/08/776440208.db2.gz OTCNGDAXDGDFFW-KLBPJQLPSA-N 1 1 310.354 -1.381 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113954218 776440325 /nfs/dbraw/zinc/44/03/25/776440325.db2.gz WKBVORKWMJXIMO-CIQGVGRVSA-N 1 1 311.382 -1.074 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113954218 776440334 /nfs/dbraw/zinc/44/03/34/776440334.db2.gz WKBVORKWMJXIMO-CIQGVGRVSA-N 1 1 311.382 -1.074 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001113973922 776441128 /nfs/dbraw/zinc/44/11/28/776441128.db2.gz MJIQJGVMYHDYCA-IAZYJMLFSA-N 1 1 306.384 -1.914 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001113973922 776441132 /nfs/dbraw/zinc/44/11/32/776441132.db2.gz MJIQJGVMYHDYCA-IAZYJMLFSA-N 1 1 306.384 -1.914 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113973311 776441240 /nfs/dbraw/zinc/44/12/40/776441240.db2.gz AKQBKFCCJPRCRQ-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001113973311 776441248 /nfs/dbraw/zinc/44/12/48/776441248.db2.gz AKQBKFCCJPRCRQ-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114010246 776442112 /nfs/dbraw/zinc/44/21/12/776442112.db2.gz XIOANMORCZNKKA-MIZYBKAJSA-N 1 1 312.370 -1.087 20 0 DAADMO CC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114010246 776442115 /nfs/dbraw/zinc/44/21/15/776442115.db2.gz XIOANMORCZNKKA-MIZYBKAJSA-N 1 1 312.370 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC001114003146 776442196 /nfs/dbraw/zinc/44/21/96/776442196.db2.gz UECQVZDAILPINA-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC001114003146 776442199 /nfs/dbraw/zinc/44/21/99/776442199.db2.gz UECQVZDAILPINA-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113990337 776442322 /nfs/dbraw/zinc/44/23/22/776442322.db2.gz NFAYHYAPMCWPLG-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC001113990337 776442326 /nfs/dbraw/zinc/44/23/26/776442326.db2.gz NFAYHYAPMCWPLG-REIXXSIJSA-N 1 1 320.353 -1.337 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114027813 776443170 /nfs/dbraw/zinc/44/31/70/776443170.db2.gz MPBLTKHGSRPPFF-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC001114027813 776443177 /nfs/dbraw/zinc/44/31/77/776443177.db2.gz MPBLTKHGSRPPFF-JZYVYDRUSA-N 1 1 314.367 -1.116 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114037280 776443279 /nfs/dbraw/zinc/44/32/79/776443279.db2.gz AKFDAAJMYLGSMK-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]1 ZINC001114037280 776443285 /nfs/dbraw/zinc/44/32/85/776443285.db2.gz AKFDAAJMYLGSMK-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114034197 776443510 /nfs/dbraw/zinc/44/35/10/776443510.db2.gz GBCOXPPENZAHED-DEKYYXRVSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114034197 776443512 /nfs/dbraw/zinc/44/35/12/776443512.db2.gz GBCOXPPENZAHED-DEKYYXRVSA-N 1 1 308.382 -1.164 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114057010 776444334 /nfs/dbraw/zinc/44/43/34/776444334.db2.gz GTKBCHZAAIMNQC-ZNSHCXBVSA-N 1 1 307.354 -1.274 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114057903 776444745 /nfs/dbraw/zinc/44/47/45/776444745.db2.gz PAMFLTBQXQHUHC-URLYPYJESA-N 1 1 307.354 -1.272 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114056990 776444878 /nfs/dbraw/zinc/44/48/78/776444878.db2.gz GHSACRNAQVVBAO-JZYVYDRUSA-N 1 1 304.354 -1.145 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1N ZINC001114056990 776444883 /nfs/dbraw/zinc/44/48/83/776444883.db2.gz GHSACRNAQVVBAO-JZYVYDRUSA-N 1 1 304.354 -1.145 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114071746 776445726 /nfs/dbraw/zinc/44/57/26/776445726.db2.gz HOBGMTOXQXOCRO-GDGBQDQQSA-N 1 1 314.342 -2.109 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114071746 776445731 /nfs/dbraw/zinc/44/57/31/776445731.db2.gz HOBGMTOXQXOCRO-GDGBQDQQSA-N 1 1 314.342 -2.109 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114091517 776447084 /nfs/dbraw/zinc/44/70/84/776447084.db2.gz YJVPPDIUVITZJM-RQJABVFESA-N 1 1 313.398 -1.628 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087698 776447114 /nfs/dbraw/zinc/44/71/14/776447114.db2.gz BCTSHYSNNBXIQO-BXSSEVMYSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087698 776447119 /nfs/dbraw/zinc/44/71/19/776447119.db2.gz BCTSHYSNNBXIQO-BXSSEVMYSA-N 1 1 320.353 -1.418 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001114086478 776447264 /nfs/dbraw/zinc/44/72/64/776447264.db2.gz XCTOXIFXTJDEOF-HBYGRHMLSA-N 1 1 308.382 -1.079 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114099276 776447968 /nfs/dbraw/zinc/44/79/68/776447968.db2.gz ULQLOLKCKBQXAO-PUHVVEEASA-N 1 1 315.370 -2.068 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)CS(C)(=O)=O ZINC001114098886 776447980 /nfs/dbraw/zinc/44/79/80/776447980.db2.gz MVHXMKUTUVZKSI-QISWUMQESA-N 1 1 317.411 -1.411 20 0 DAADMO C[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)CS(C)(=O)=O ZINC001114098886 776447982 /nfs/dbraw/zinc/44/79/82/776447982.db2.gz MVHXMKUTUVZKSI-QISWUMQESA-N 1 1 317.411 -1.411 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114088873 776448116 /nfs/dbraw/zinc/44/81/16/776448116.db2.gz WNRNHIPBPFYOMX-IWIIMEHWSA-N 1 1 320.353 -1.546 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114088873 776448121 /nfs/dbraw/zinc/44/81/21/776448121.db2.gz WNRNHIPBPFYOMX-IWIIMEHWSA-N 1 1 320.353 -1.546 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001114099447 776448148 /nfs/dbraw/zinc/44/81/48/776448148.db2.gz XEXSRJIHQBHREY-DNJQJEMRSA-N 1 1 315.395 -1.657 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001114099447 776448152 /nfs/dbraw/zinc/44/81/52/776448152.db2.gz XEXSRJIHQBHREY-DNJQJEMRSA-N 1 1 315.395 -1.657 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)C1CC1 ZINC001114099476 776448290 /nfs/dbraw/zinc/44/82/90/776448290.db2.gz XTCZATJGAULZNK-VATFKXGISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)C1CC1 ZINC001114099476 776448294 /nfs/dbraw/zinc/44/82/94/776448294.db2.gz XTCZATJGAULZNK-VATFKXGISA-N 1 1 308.382 -1.177 20 0 DAADMO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114093187 776448965 /nfs/dbraw/zinc/44/89/65/776448965.db2.gz KKRJCEQWGJUPBT-MSRIBSCDSA-N 1 1 305.338 -1.093 20 0 DAADMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)nn1 ZINC001114093187 776448968 /nfs/dbraw/zinc/44/89/68/776448968.db2.gz KKRJCEQWGJUPBT-MSRIBSCDSA-N 1 1 305.338 -1.093 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114093802 776449277 /nfs/dbraw/zinc/44/92/77/776449277.db2.gz VTSGORFUNYRJDH-COMQUAJESA-N 1 1 324.425 -1.158 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001114093263 776449350 /nfs/dbraw/zinc/44/93/50/776449350.db2.gz LXMKIIIYSOARTN-HBYGRHMLSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001114093263 776449356 /nfs/dbraw/zinc/44/93/56/776449356.db2.gz LXMKIIIYSOARTN-HBYGRHMLSA-N 1 1 308.382 -1.033 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120914 776450397 /nfs/dbraw/zinc/45/03/97/776450397.db2.gz ZXNVQVWGNFUFNL-PUHVVEEASA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120914 776450399 /nfs/dbraw/zinc/45/03/99/776450399.db2.gz ZXNVQVWGNFUFNL-PUHVVEEASA-N 1 1 309.370 -1.209 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120914 776450403 /nfs/dbraw/zinc/45/04/03/776450403.db2.gz ZXNVQVWGNFUFNL-PUHVVEEASA-N 1 1 309.370 -1.209 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001114137268 776451722 /nfs/dbraw/zinc/45/17/22/776451722.db2.gz UXYODTQAJJKFGI-IAZYJMLFSA-N 1 1 305.338 -1.120 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001114137268 776451724 /nfs/dbraw/zinc/45/17/24/776451724.db2.gz UXYODTQAJJKFGI-IAZYJMLFSA-N 1 1 305.338 -1.120 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)ncn1 ZINC001114144091 776452931 /nfs/dbraw/zinc/45/29/31/776452931.db2.gz ZZMAVNCYSQKCLY-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)ncn1 ZINC001114144091 776452935 /nfs/dbraw/zinc/45/29/35/776452935.db2.gz ZZMAVNCYSQKCLY-GDGBQDQQSA-N 1 1 318.337 -1.360 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114153299 776453022 /nfs/dbraw/zinc/45/30/22/776453022.db2.gz LTGGJPUNYHHSDZ-MTBHXBHISA-N 1 1 323.313 -2.775 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114153299 776453031 /nfs/dbraw/zinc/45/30/31/776453031.db2.gz LTGGJPUNYHHSDZ-MTBHXBHISA-N 1 1 323.313 -2.775 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114175706 776456557 /nfs/dbraw/zinc/45/65/57/776456557.db2.gz JDHNJELWUWIXRI-WDNDVIMCSA-N 1 1 311.382 -1.480 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114175725 776456834 /nfs/dbraw/zinc/45/68/34/776456834.db2.gz JLQWOJVHKHARJW-UXCLJVHYSA-N 1 1 311.386 -1.432 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC001114176710 776457494 /nfs/dbraw/zinc/45/74/94/776457494.db2.gz WPDPCFRBERYTMD-QISWUMQESA-N 1 1 311.338 -1.354 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001114178091 776457537 /nfs/dbraw/zinc/45/75/37/776457537.db2.gz IJSAQDYPVRZNTN-IWIIMEHWSA-N 1 1 317.411 -1.396 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001114178091 776457541 /nfs/dbraw/zinc/45/75/41/776457541.db2.gz IJSAQDYPVRZNTN-IWIIMEHWSA-N 1 1 317.411 -1.396 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114188586 776458574 /nfs/dbraw/zinc/45/85/74/776458574.db2.gz GBJMENOJSMSJDL-MEWQQHAOSA-N 1 1 306.370 -1.151 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114179913 776458591 /nfs/dbraw/zinc/45/85/91/776458591.db2.gz ADFLPTDGOUNFPQ-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114171572 776458640 /nfs/dbraw/zinc/45/86/40/776458640.db2.gz DAJBHLFALTUIOQ-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114172414 776458705 /nfs/dbraw/zinc/45/87/05/776458705.db2.gz ULESJUAMRDGXLA-FJJYHAOUSA-N 1 1 313.398 -1.044 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(=O)NC)C1=O ZINC001114180810 776459624 /nfs/dbraw/zinc/45/96/24/776459624.db2.gz QZVVAGIMDAXXCF-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114180922 776459636 /nfs/dbraw/zinc/45/96/36/776459636.db2.gz SZEYAVIVRGFBSL-YABSGUDNSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114180698 776459655 /nfs/dbraw/zinc/45/96/55/776459655.db2.gz PNXNQFWBFCIKEZ-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(N)=O ZINC001114182829 776459774 /nfs/dbraw/zinc/45/97/74/776459774.db2.gz UMCUIOZMPAWROF-LADJIXMOSA-N 1 1 300.359 -1.903 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114182419 776459805 /nfs/dbraw/zinc/45/98/05/776459805.db2.gz LNDPORQVNSCQRN-UKKRHICBSA-N 1 1 300.359 -1.902 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CN(C(C)=O)C1 ZINC001114182645 776459903 /nfs/dbraw/zinc/45/99/03/776459903.db2.gz QJWACDRIBKXEIK-NHAGDIPZSA-N 1 1 322.409 -1.011 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114187155 776461001 /nfs/dbraw/zinc/46/10/01/776461001.db2.gz PIAFLCPNEFNWAS-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114203605 776461100 /nfs/dbraw/zinc/46/11/00/776461100.db2.gz GURWULNWKIKKAL-XZUYRWCXSA-N 1 1 324.381 -1.087 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114203605 776461107 /nfs/dbraw/zinc/46/11/07/776461107.db2.gz GURWULNWKIKKAL-XZUYRWCXSA-N 1 1 324.381 -1.087 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114185924 776461136 /nfs/dbraw/zinc/46/11/36/776461136.db2.gz DHOBSDBTLWFWMO-CZXHOFHRSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001114204290 776461798 /nfs/dbraw/zinc/46/17/98/776461798.db2.gz QNKDHWBHFYJSCF-WHOHXGKFSA-N 1 1 322.365 -1.333 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114216756 776461928 /nfs/dbraw/zinc/46/19/28/776461928.db2.gz CEWBODOZERTHQQ-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114216756 776461933 /nfs/dbraw/zinc/46/19/33/776461933.db2.gz CEWBODOZERTHQQ-MTBHXBHISA-N 1 1 307.314 -2.330 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114213308 776462179 /nfs/dbraw/zinc/46/21/79/776462179.db2.gz YMQJZLYMQNHQJS-REIXXSIJSA-N 1 1 312.370 -1.223 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114213308 776462188 /nfs/dbraw/zinc/46/21/88/776462188.db2.gz YMQJZLYMQNHQJS-REIXXSIJSA-N 1 1 312.370 -1.223 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204152 776462365 /nfs/dbraw/zinc/46/23/65/776462365.db2.gz OFKAUSOQNFFEFW-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204152 776462371 /nfs/dbraw/zinc/46/23/71/776462371.db2.gz OFKAUSOQNFFEFW-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001114219779 776462519 /nfs/dbraw/zinc/46/25/19/776462519.db2.gz GXVIZBCRVUBPPL-PJXYFTJBSA-N 1 1 309.370 -1.033 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1C ZINC001090476757 776464535 /nfs/dbraw/zinc/46/45/35/776464535.db2.gz DLBQUMSCQVUGEN-WDEREUQCSA-N 1 1 310.354 -1.044 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114226256 776464753 /nfs/dbraw/zinc/46/47/53/776464753.db2.gz JETODUGXQCVVNM-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001114226650 776464784 /nfs/dbraw/zinc/46/47/84/776464784.db2.gz QTEHHUFOZZKSQF-UXCLJVHYSA-N 1 1 311.386 -1.514 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114270134 776465893 /nfs/dbraw/zinc/46/58/93/776465893.db2.gz AJNQTKAJPRZQBW-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114270134 776465895 /nfs/dbraw/zinc/46/58/95/776465895.db2.gz AJNQTKAJPRZQBW-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114273688 776466940 /nfs/dbraw/zinc/46/69/40/776466940.db2.gz RGZIMHKZOKBVDF-IAZYJMLFSA-N 1 1 322.406 -1.260 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114273688 776466946 /nfs/dbraw/zinc/46/69/46/776466946.db2.gz RGZIMHKZOKBVDF-IAZYJMLFSA-N 1 1 322.406 -1.260 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001114278541 776468329 /nfs/dbraw/zinc/46/83/29/776468329.db2.gz SUXHCKSOYASPDI-QISWUMQESA-N 1 1 311.386 -1.384 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001114278541 776468336 /nfs/dbraw/zinc/46/83/36/776468336.db2.gz SUXHCKSOYASPDI-QISWUMQESA-N 1 1 311.386 -1.384 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001114306272 776468899 /nfs/dbraw/zinc/46/88/99/776468899.db2.gz JWQVWFHBTUBZHU-QWSQGYFDSA-N 1 1 308.338 -1.736 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001114306272 776468906 /nfs/dbraw/zinc/46/89/06/776468906.db2.gz JWQVWFHBTUBZHU-QWSQGYFDSA-N 1 1 308.338 -1.736 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC001114303958 776468985 /nfs/dbraw/zinc/46/89/85/776468985.db2.gz HXDSDPXXQKISSY-IAZYJMLFSA-N 1 1 322.369 -1.540 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287661 776469214 /nfs/dbraw/zinc/46/92/14/776469214.db2.gz PQBSIUXHYXNQTO-PJXYFTJBSA-N 1 1 310.358 -1.618 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129485145 776470576 /nfs/dbraw/zinc/47/05/76/776470576.db2.gz XPYDMIGJYPBNSG-UTUOFQBUSA-N 1 1 324.385 -1.344 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129542106 776474443 /nfs/dbraw/zinc/47/44/43/776474443.db2.gz MEHZVWLSWQCJML-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCOCC2=O)[nH]1 ZINC001129574137 776476003 /nfs/dbraw/zinc/47/60/03/776476003.db2.gz VLRQZIDPEQCTIL-JTQLQIEISA-N 1 1 324.385 -1.007 20 0 DAADMO O=C(Cc1ccn[nH]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129699261 776477033 /nfs/dbraw/zinc/47/70/33/776477033.db2.gz PONQAZKXZPPSOS-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743146 776478602 /nfs/dbraw/zinc/47/86/02/776478602.db2.gz IIQKYFLDYQZUDI-VIFPVBQESA-N 1 1 323.357 -1.508 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743573 776479918 /nfs/dbraw/zinc/47/99/18/776479918.db2.gz QTWKADSUGWAUTI-QMMMGPOBSA-N 1 1 309.330 -1.898 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1nncn1C ZINC001129749493 776480084 /nfs/dbraw/zinc/48/00/84/776480084.db2.gz FXDKWWZHXIPEFR-SFYZADRCSA-N 1 1 309.330 -1.820 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001129743706 776480350 /nfs/dbraw/zinc/48/03/50/776480350.db2.gz UISOEXNOHDLTEI-QMMMGPOBSA-N 1 1 322.329 -2.188 20 0 DAADMO CC[C@]1(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CCNC1=O ZINC001129870501 776485647 /nfs/dbraw/zinc/48/56/47/776485647.db2.gz GCZCSHCOLUZCFS-RNCFNFMXSA-N 1 1 309.374 -1.107 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129956488 776486967 /nfs/dbraw/zinc/48/69/67/776486967.db2.gz BGXWETYEZSUOQH-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@H]1CCCNC1=O ZINC001129954151 776487110 /nfs/dbraw/zinc/48/71/10/776487110.db2.gz ZWCFWVTXHLLXGW-JTQLQIEISA-N 1 1 307.358 -1.260 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985004 776487531 /nfs/dbraw/zinc/48/75/31/776487531.db2.gz LUUSFIRQQLLHEG-RQJHMYQMSA-N 1 1 324.301 -3.700 20 0 DAADMO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985470 776488120 /nfs/dbraw/zinc/48/81/20/776488120.db2.gz YKYLBTMCOMAYFI-BDAKNGLRSA-N 1 1 309.330 -2.759 20 0 DAADMO Cn1nccc1COCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001130121457 776495310 /nfs/dbraw/zinc/49/53/10/776495310.db2.gz VVGZWDAYYOOLCS-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137249 776495836 /nfs/dbraw/zinc/49/58/36/776495836.db2.gz PPBOOJCFAAEJSC-NEPJUHHUSA-N 1 1 323.401 -1.555 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137249 776495839 /nfs/dbraw/zinc/49/58/39/776495839.db2.gz PPBOOJCFAAEJSC-NEPJUHHUSA-N 1 1 323.401 -1.555 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)COCc2ccnn2C)nn1 ZINC001130120416 776496083 /nfs/dbraw/zinc/49/60/83/776496083.db2.gz FDJINXGEZBRFSO-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1nnnn1C ZINC001130205893 776498069 /nfs/dbraw/zinc/49/80/69/776498069.db2.gz ZVWOJMYMONZPEH-ZANVPECISA-N 1 1 309.374 -1.107 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001130230265 776499360 /nfs/dbraw/zinc/49/93/60/776499360.db2.gz JBQUAUBPYCVUHL-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130248611 776499690 /nfs/dbraw/zinc/49/96/90/776499690.db2.gz LVBHLNQVYQDPMF-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130337950 776504550 /nfs/dbraw/zinc/50/45/50/776504550.db2.gz NZFSITGYOOQJEE-NSHDSACASA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@]1(CO)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C[C@@H]1O ZINC001157946913 776505159 /nfs/dbraw/zinc/50/51/59/776505159.db2.gz POGFRYUPPHYYSY-VNHYZAJKSA-N 1 1 314.430 -1.671 20 0 DAADMO C[C@]1(CO)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C[C@H]1O ZINC001157946911 776505565 /nfs/dbraw/zinc/50/55/65/776505565.db2.gz POGFRYUPPHYYSY-UMVBOHGHSA-N 1 1 314.430 -1.671 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccc(C(N)=O)c1 ZINC001130362638 776505585 /nfs/dbraw/zinc/50/55/85/776505585.db2.gz ZVPIKWGXBGYXTC-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nncn1C ZINC001130381793 776506944 /nfs/dbraw/zinc/50/69/44/776506944.db2.gz MVLXMLYNMXZFCG-UHFFFAOYSA-N 1 1 311.346 -2.727 20 0 DAADMO CNC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130395468 776507060 /nfs/dbraw/zinc/50/70/60/776507060.db2.gz MFCRNDVURQVANN-SNVBAGLBSA-N 1 1 324.385 -1.264 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001130380839 776507249 /nfs/dbraw/zinc/50/72/49/776507249.db2.gz KFSPRAPFYLEHIS-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130380839 776507253 /nfs/dbraw/zinc/50/72/53/776507253.db2.gz KFSPRAPFYLEHIS-VIFPVBQESA-N 1 1 322.369 -1.563 20 0 DAADMO O=C(Cn1ncnn1)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130389686 776508001 /nfs/dbraw/zinc/50/80/01/776508001.db2.gz ZIBYPCCVGAPWKI-SNVBAGLBSA-N 1 1 320.357 -1.506 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1cnns1 ZINC001130384439 776508524 /nfs/dbraw/zinc/50/85/24/776508524.db2.gz IJCBFNVVFMMDMQ-UHFFFAOYSA-N 1 1 314.371 -2.004 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CNC(=O)CNC(C)=O ZINC001130381950 776508663 /nfs/dbraw/zinc/50/86/63/776508663.db2.gz PUVFRWZEKIUZGP-UHFFFAOYSA-N 1 1 324.385 -1.639 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001130381827 776508910 /nfs/dbraw/zinc/50/89/10/776508910.db2.gz OWUJDBKYVHBQRC-UHFFFAOYSA-N 1 1 310.358 -2.122 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001130418178 776509185 /nfs/dbraw/zinc/50/91/85/776509185.db2.gz NVRUJCWPTZPZRL-MRVPVSSYSA-N 1 1 319.325 -1.116 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001130418178 776509195 /nfs/dbraw/zinc/50/91/95/776509195.db2.gz NVRUJCWPTZPZRL-MRVPVSSYSA-N 1 1 319.325 -1.116 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)nn1 ZINC001130442637 776509531 /nfs/dbraw/zinc/50/95/31/776509531.db2.gz QPLYBOJVPHLWAI-SECBINFHSA-N 1 1 320.357 -1.419 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417443 776510146 /nfs/dbraw/zinc/51/01/46/776510146.db2.gz HLBUBINFXKVVMF-DTWKUNHWSA-N 1 1 322.369 -1.565 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCC3N=NC(=O)N3C2)n1 ZINC001130443028 776510304 /nfs/dbraw/zinc/51/03/04/776510304.db2.gz UDVNHOUXZIPKPR-VIFPVBQESA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130477097 776511124 /nfs/dbraw/zinc/51/11/24/776511124.db2.gz AHIPZFRHCHDMGG-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO COCc1nn(C)cc1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001130445325 776511175 /nfs/dbraw/zinc/51/11/75/776511175.db2.gz IGKKZMQJOTWKIK-UHFFFAOYSA-N 1 1 308.346 -1.390 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090484542 776512103 /nfs/dbraw/zinc/51/21/03/776512103.db2.gz BGIPAJZEOQXUTH-NWDGAFQWSA-N 1 1 316.377 -1.671 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090485067 776512814 /nfs/dbraw/zinc/51/28/14/776512814.db2.gz FPNRBCOLIIRJEH-KGLIPLIRSA-N 1 1 324.425 -1.230 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)no1 ZINC001130549660 776514518 /nfs/dbraw/zinc/51/45/18/776514518.db2.gz CBZPVQBQUZSZCS-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090486644 776514597 /nfs/dbraw/zinc/51/45/97/776514597.db2.gz OSARVBJXUIDBMR-ZIAGYGMSSA-N 1 1 324.425 -1.064 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090486595 776515303 /nfs/dbraw/zinc/51/53/03/776515303.db2.gz NYONKXJDFAZKEL-QWRGUYRKSA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090486595 776515310 /nfs/dbraw/zinc/51/53/10/776515310.db2.gz NYONKXJDFAZKEL-QWRGUYRKSA-N 1 1 302.350 -2.061 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)[nH]1 ZINC001130553486 776516124 /nfs/dbraw/zinc/51/61/24/776516124.db2.gz HHLXSAVJCLNTSJ-UHFFFAOYSA-N 1 1 309.374 -1.907 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CC1CS(=O)(=O)C1 ZINC001130575794 776517351 /nfs/dbraw/zinc/51/73/51/776517351.db2.gz LJQQBABCYBWVDV-UHFFFAOYSA-N 1 1 301.372 -1.544 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090487449 776518922 /nfs/dbraw/zinc/51/89/22/776518922.db2.gz VFPAHUKSIRHQFE-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1ncccn1 ZINC001130588039 776519038 /nfs/dbraw/zinc/51/90/38/776519038.db2.gz KRPPGKBCKGNYMZ-JTQLQIEISA-N 1 1 305.342 -1.161 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001130588151 776519109 /nfs/dbraw/zinc/51/91/09/776519109.db2.gz OGLHYUWACQSCOG-MRVPVSSYSA-N 1 1 308.346 -1.525 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588449 776520459 /nfs/dbraw/zinc/52/04/59/776520459.db2.gz VOALSZDGVRJBDN-UHFFFAOYSA-N 1 1 323.361 -2.116 20 0 DAADMO Cn1cnn(CC(=O)NCC[NH2+]Cc2nnnn2C2CC2)c1=O ZINC001130591013 776520713 /nfs/dbraw/zinc/52/07/13/776520713.db2.gz PQMAVKQBTUKFCP-UHFFFAOYSA-N 1 1 321.345 -2.191 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090487793 776521652 /nfs/dbraw/zinc/52/16/52/776521652.db2.gz ZXJBSOIICXRWAC-OLZOCXBDSA-N 1 1 310.398 -1.620 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001130615867 776522502 /nfs/dbraw/zinc/52/25/02/776522502.db2.gz UBUBSIRRBSMGDY-MNOVXSKESA-N 1 1 311.390 -1.302 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C(=O)NCC(F)F)c1nncn1C ZINC001130643109 776523239 /nfs/dbraw/zinc/52/32/39/776523239.db2.gz PPANWKNSBJRXQH-ZETCQYMHSA-N 1 1 304.301 -1.037 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090489522 776525894 /nfs/dbraw/zinc/52/58/94/776525894.db2.gz NHABUBOOYNAEJT-MNOVXSKESA-N 1 1 300.359 -3.038 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130699814 776527442 /nfs/dbraw/zinc/52/74/42/776527442.db2.gz RYYSPXPTJHUGCA-SNVBAGLBSA-N 1 1 309.374 -1.014 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748745 776528192 /nfs/dbraw/zinc/52/81/92/776528192.db2.gz LFIHVDGDBGUVPJ-UWVGGRQHSA-N 1 1 301.347 -1.464 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001130751569 776528613 /nfs/dbraw/zinc/52/86/13/776528613.db2.gz FCLAWAHZBZNPDL-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cnn[nH]1 ZINC001130748554 776528955 /nfs/dbraw/zinc/52/89/55/776528955.db2.gz GFQAWDDVWNEQDV-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3cnn[nH]3)C2=O)n1 ZINC001130748718 776529248 /nfs/dbraw/zinc/52/92/48/776529248.db2.gz JWSZRZXCVHRRDE-VIFPVBQESA-N 1 1 318.341 -1.337 20 0 DAADMO O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001130745809 776529319 /nfs/dbraw/zinc/52/93/19/776529319.db2.gz NMLYPGICQJLXCZ-VIFPVBQESA-N 1 1 301.372 -1.051 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)Nc1ncccn1 ZINC001130745870 776529512 /nfs/dbraw/zinc/52/95/12/776529512.db2.gz PVYMSLOIEXLTQO-QMMMGPOBSA-N 1 1 304.314 -1.059 20 0 DAADMO O=C(NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cnn[nH]1 ZINC001130752331 776529589 /nfs/dbraw/zinc/52/95/89/776529589.db2.gz WOGFPWVDIFGZJZ-MNOVXSKESA-N 1 1 313.358 -1.319 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CCCNC2=O)n1C ZINC001130781502 776532863 /nfs/dbraw/zinc/53/28/63/776532863.db2.gz IUCDUDPASMLTSV-UHFFFAOYSA-N 1 1 323.401 -1.001 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130807014 776534506 /nfs/dbraw/zinc/53/45/06/776534506.db2.gz PMQMMEHNNQCRRI-JGVFFNPUSA-N 1 1 314.321 -1.315 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC001090495930 776539220 /nfs/dbraw/zinc/53/92/20/776539220.db2.gz KPMLFJRSALACCK-NWDGAFQWSA-N 1 1 317.353 -1.030 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC001090495930 776539235 /nfs/dbraw/zinc/53/92/35/776539235.db2.gz KPMLFJRSALACCK-NWDGAFQWSA-N 1 1 317.353 -1.030 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(C(N)=O)cn1C)c1nnnn1C ZINC001130892207 776542517 /nfs/dbraw/zinc/54/25/17/776542517.db2.gz SDORSIHXGFCRSH-MRVPVSSYSA-N 1 1 320.357 -1.272 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cc(C(N)=O)cn2C)n1 ZINC001130891879 776543180 /nfs/dbraw/zinc/54/31/80/776543180.db2.gz GXBQXPFMGMLUOR-UHFFFAOYSA-N 1 1 305.342 -1.228 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC001090496482 776543457 /nfs/dbraw/zinc/54/34/57/776543457.db2.gz QEBOFDIIIDSZNY-NWDGAFQWSA-N 1 1 324.385 -1.056 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nnnn1C ZINC001130938976 776544217 /nfs/dbraw/zinc/54/42/17/776544217.db2.gz ZXBUMGYYMRPMPA-QMMMGPOBSA-N 1 1 322.329 -2.061 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944301 776546647 /nfs/dbraw/zinc/54/66/47/776546647.db2.gz GXUGKWBCUKHHIX-UHFFFAOYSA-N 1 1 306.326 -1.412 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCN1C(=O)CCC1=O ZINC001130994864 776548498 /nfs/dbraw/zinc/54/84/98/776548498.db2.gz QNXIQPFFUNOXJM-UHFFFAOYSA-N 1 1 308.342 -1.440 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131008442 776551246 /nfs/dbraw/zinc/55/12/46/776551246.db2.gz OKVQDDWBYWUQEE-VIFPVBQESA-N 1 1 310.362 -1.793 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1)c1nnnn1C ZINC001131025739 776554174 /nfs/dbraw/zinc/55/41/74/776554174.db2.gz ZLDPWYOCTDXIEL-UWVGGRQHSA-N 1 1 324.389 -1.232 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497669 776555670 /nfs/dbraw/zinc/55/56/70/776555670.db2.gz WTKLWUWWEXGINI-QWRGUYRKSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497669 776555681 /nfs/dbraw/zinc/55/56/81/776555681.db2.gz WTKLWUWWEXGINI-QWRGUYRKSA-N 1 1 321.341 -1.128 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498394 776559950 /nfs/dbraw/zinc/55/99/50/776559950.db2.gz BNJVPVKCUWXWJJ-SVPLCASGSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498394 776559955 /nfs/dbraw/zinc/55/99/55/776559955.db2.gz BNJVPVKCUWXWJJ-SVPLCASGSA-N 1 1 311.382 -1.482 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498674 776560658 /nfs/dbraw/zinc/56/06/58/776560658.db2.gz DPKDLXUDBDYVKE-NXEZZACHSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090498674 776560667 /nfs/dbraw/zinc/56/06/67/776560667.db2.gz DPKDLXUDBDYVKE-NXEZZACHSA-N 1 1 321.341 -1.128 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cc2n(n1)CCCO2 ZINC001131181916 776560909 /nfs/dbraw/zinc/56/09/09/776560909.db2.gz OONFKJYURHMZQS-UHFFFAOYSA-N 1 1 306.330 -1.291 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1ccc2nnnn2c1 ZINC001131278437 776561301 /nfs/dbraw/zinc/56/13/01/776561301.db2.gz GMZHTVSQXMADDV-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc2nnnn2c1)c1nnnn1C ZINC001131279067 776561848 /nfs/dbraw/zinc/56/18/48/776561848.db2.gz WBJMMXOYMCOWGU-QMMMGPOBSA-N 1 1 316.329 -1.272 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131323230 776562856 /nfs/dbraw/zinc/56/28/56/776562856.db2.gz UUDMTFMGNAPTFF-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO CC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131323230 776562862 /nfs/dbraw/zinc/56/28/62/776562862.db2.gz UUDMTFMGNAPTFF-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131331677 776563175 /nfs/dbraw/zinc/56/31/75/776563175.db2.gz YYOCMHLLCRHDCR-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CNC(N)=O)CC1 ZINC001131331677 776563182 /nfs/dbraw/zinc/56/31/82/776563182.db2.gz YYOCMHLLCRHDCR-JTQLQIEISA-N 1 1 315.374 -2.314 20 0 DAADMO COCCC[N@H+]1CCNC(=O)CCN(C(=O)CC(N)=O)CC1 ZINC001131339662 776564433 /nfs/dbraw/zinc/56/44/33/776564433.db2.gz LXXJTCHFYWYXJF-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CCOCCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131376825 776566930 /nfs/dbraw/zinc/56/69/30/776566930.db2.gz LGAHLASIEMKWEJ-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CCOCCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131376825 776566935 /nfs/dbraw/zinc/56/69/35/776566935.db2.gz LGAHLASIEMKWEJ-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377268 776567376 /nfs/dbraw/zinc/56/73/76/776567376.db2.gz ROLTXFXKBCMTKT-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131377268 776567383 /nfs/dbraw/zinc/56/73/83/776567383.db2.gz ROLTXFXKBCMTKT-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@H]2O)n1 ZINC001090500482 776568952 /nfs/dbraw/zinc/56/89/52/776568952.db2.gz OPJICOQHVNWUEU-VXGBXAGGSA-N 1 1 324.385 -1.198 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001131391469 776569207 /nfs/dbraw/zinc/56/92/07/776569207.db2.gz VJFMVDRIVFADLF-UHFFFAOYSA-N 1 1 314.430 -1.029 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001131488883 776571934 /nfs/dbraw/zinc/57/19/34/776571934.db2.gz YKNUGZPQWXKFCW-NEPJUHHUSA-N 1 1 324.385 -1.166 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520473 776575404 /nfs/dbraw/zinc/57/54/04/776575404.db2.gz YXBDVTXLVNIMMM-QRJNDHJOSA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520473 776575409 /nfs/dbraw/zinc/57/54/09/776575409.db2.gz YXBDVTXLVNIMMM-QRJNDHJOSA-N 1 1 320.397 -1.116 20 0 DAADMO COCC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131631716 776579224 /nfs/dbraw/zinc/57/92/24/776579224.db2.gz IDODOCGAQNZKJP-FZMZJTMJSA-N 1 1 314.386 -1.007 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131672026 776580278 /nfs/dbraw/zinc/58/02/78/776580278.db2.gz IAXNRESHBWOMCG-VIFPVBQESA-N 1 1 319.329 -2.205 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CCOCCO)C2)O1 ZINC001131677053 776582464 /nfs/dbraw/zinc/58/24/64/776582464.db2.gz IDJBJTFXMXCORJ-SMDDNHRTSA-N 1 1 315.370 -1.828 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001131769440 776586218 /nfs/dbraw/zinc/58/62/18/776586218.db2.gz RCWKRVVGBLGLKW-VIFPVBQESA-N 1 1 322.373 -1.135 20 0 DAADMO Cn1cnn(CCC(=O)NCC[NH2+]Cc2ncnn2C)c1=O ZINC001131763201 776588170 /nfs/dbraw/zinc/58/81/70/776588170.db2.gz PFSIUCUHXCRUFQ-UHFFFAOYSA-N 1 1 308.346 -1.994 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CCn1cncn1 ZINC001131792447 776588746 /nfs/dbraw/zinc/58/87/46/776588746.db2.gz KZZKXNCJMVAVFH-WDEREUQCSA-N 1 1 309.374 -1.085 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CCOCCO ZINC001131792650 776588897 /nfs/dbraw/zinc/58/88/97/776588897.db2.gz MCSVLPAABXLURE-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001131793540 776590777 /nfs/dbraw/zinc/59/07/77/776590777.db2.gz UPDRERFSCZLQBR-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001131793540 776590784 /nfs/dbraw/zinc/59/07/84/776590784.db2.gz UPDRERFSCZLQBR-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001131831609 776594884 /nfs/dbraw/zinc/59/48/84/776594884.db2.gz JCXMIJMRGGEXIB-MRVPVSSYSA-N 1 1 319.391 -2.364 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001131831807 776594949 /nfs/dbraw/zinc/59/49/49/776594949.db2.gz RMFNUYPDHNHEBX-SSDOTTSWSA-N 1 1 319.391 -2.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001131831887 776595344 /nfs/dbraw/zinc/59/53/44/776595344.db2.gz TYPYBIOTLYKUME-VIFPVBQESA-N 1 1 316.387 -1.703 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C[C@@H]2CCCS2(=O)=O)nn1 ZINC001131873881 776597974 /nfs/dbraw/zinc/59/79/74/776597974.db2.gz JVNZOHRBKUKOKI-NSHDSACASA-N 1 1 315.399 -1.012 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503427 776601804 /nfs/dbraw/zinc/60/18/04/776601804.db2.gz JDHBTQXOSYCWDB-ZUWCUPBKSA-N 1 1 321.381 -1.278 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C[N@H+]1CCN1CCNC1=O ZINC001131965424 776602073 /nfs/dbraw/zinc/60/20/73/776602073.db2.gz VKQNHCFSWOMDLL-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CCO ZINC001132077662 776604225 /nfs/dbraw/zinc/60/42/25/776604225.db2.gz ILOGAIAGKFJUHP-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132037607 776604135 /nfs/dbraw/zinc/60/41/35/776604135.db2.gz FOCJFRFYHIPKEF-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132037607 776604142 /nfs/dbraw/zinc/60/41/42/776604142.db2.gz FOCJFRFYHIPKEF-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132078842 776604508 /nfs/dbraw/zinc/60/45/08/776604508.db2.gz OOXXQFOZYZSOSS-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CCO ZINC001132077665 776604762 /nfs/dbraw/zinc/60/47/62/776604762.db2.gz ILOGAIAGKFJUHP-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132037608 776604883 /nfs/dbraw/zinc/60/48/83/776604883.db2.gz FOCJFRFYHIPKEF-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132037608 776604887 /nfs/dbraw/zinc/60/48/87/776604887.db2.gz FOCJFRFYHIPKEF-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CCOCCO ZINC001132042535 776605156 /nfs/dbraw/zinc/60/51/56/776605156.db2.gz VYLXCWBCUXKTFS-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132078841 776605196 /nfs/dbraw/zinc/60/51/96/776605196.db2.gz OOXXQFOZYZSOSS-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CCOCCO ZINC001132042537 776605306 /nfs/dbraw/zinc/60/53/06/776605306.db2.gz VYLXCWBCUXKTFS-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132078843 776605335 /nfs/dbraw/zinc/60/53/35/776605335.db2.gz OOXXQFOZYZSOSS-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)C)C1 ZINC001132091043 776606537 /nfs/dbraw/zinc/60/65/37/776606537.db2.gz QLQJTRWUPOWUNM-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C1 ZINC001132091043 776606544 /nfs/dbraw/zinc/60/65/44/776606544.db2.gz QLQJTRWUPOWUNM-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132090563 776606768 /nfs/dbraw/zinc/60/67/68/776606768.db2.gz IXUDHVCSDPDWLW-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132090563 776606770 /nfs/dbraw/zinc/60/67/70/776606770.db2.gz IXUDHVCSDPDWLW-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCNC(=O)C(C)(C)C ZINC001132126000 776606837 /nfs/dbraw/zinc/60/68/37/776606837.db2.gz DCMZEORRULLKKR-UHFFFAOYSA-N 1 1 311.390 -1.032 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132086644 776607200 /nfs/dbraw/zinc/60/72/00/776607200.db2.gz IAHVELYAKOUAFL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132086644 776607207 /nfs/dbraw/zinc/60/72/07/776607207.db2.gz IAHVELYAKOUAFL-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NCC[NH2+]Cc2nnnn2C)c1C ZINC001132189226 776609384 /nfs/dbraw/zinc/60/93/84/776609384.db2.gz NWXHDYQACLKRDM-UHFFFAOYSA-N 1 1 306.330 -1.158 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001132141860 776609816 /nfs/dbraw/zinc/60/98/16/776609816.db2.gz VFNTULWUTYDVSM-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCO)C1 ZINC001132199617 776611069 /nfs/dbraw/zinc/61/10/69/776611069.db2.gz KRQFNQUKKZRFIK-QWRGUYRKSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CCOCCO ZINC001132225510 776611105 /nfs/dbraw/zinc/61/11/05/776611105.db2.gz XXXQODMJRBHGEV-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CCOCCO ZINC001132225512 776611242 /nfs/dbraw/zinc/61/12/42/776611242.db2.gz XXXQODMJRBHGEV-WDEREUQCSA-N 1 1 312.374 -1.198 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132198938 776611272 /nfs/dbraw/zinc/61/12/72/776611272.db2.gz CUHWZCFKOBOIFR-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132198938 776611279 /nfs/dbraw/zinc/61/12/79/776611279.db2.gz CUHWZCFKOBOIFR-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCOC)C1 ZINC001132200846 776611359 /nfs/dbraw/zinc/61/13/59/776611359.db2.gz UQGZZFPCNTVNAA-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252271 776613967 /nfs/dbraw/zinc/61/39/67/776613967.db2.gz CBWPECAUKHTMPF-JQWIXIFHSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C)c1nnnn1C ZINC001132257611 776615494 /nfs/dbraw/zinc/61/54/94/776615494.db2.gz MKXFZERQEILKBV-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)n1 ZINC001132317328 776617387 /nfs/dbraw/zinc/61/73/87/776617387.db2.gz CDYQXQUDXQWMPO-UHFFFAOYSA-N 1 1 309.374 -2.064 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001132318206 776618423 /nfs/dbraw/zinc/61/84/23/776618423.db2.gz SNUPCCAKVPIFRE-UHFFFAOYSA-N 1 1 321.385 -1.680 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132337169 776619011 /nfs/dbraw/zinc/61/90/11/776619011.db2.gz HGAAWAKIDYJQSL-UWVGGRQHSA-N 1 1 312.349 -1.035 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001132320720 776620174 /nfs/dbraw/zinc/62/01/74/776620174.db2.gz QNZTZUPKJHFTSU-SECBINFHSA-N 1 1 309.374 -1.688 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132338242 776620284 /nfs/dbraw/zinc/62/02/84/776620284.db2.gz SAXOQOUOPWJNJK-VHSXEESVSA-N 1 1 322.369 -1.474 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1ncccn1 ZINC001132320763 776620327 /nfs/dbraw/zinc/62/03/27/776620327.db2.gz SBJGQRBLBQSHJD-LLVKDONJSA-N 1 1 306.370 -1.325 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132355712 776623681 /nfs/dbraw/zinc/62/36/81/776623681.db2.gz IPRPKORRTPWKFC-VIFPVBQESA-N 1 1 309.374 -1.230 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C[N@H+]1CCO ZINC001132358332 776624007 /nfs/dbraw/zinc/62/40/07/776624007.db2.gz CLTKTGOLDZVUOX-NWDGAFQWSA-N 1 1 324.381 -1.112 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2noc3c2COCC3)NC1=O ZINC001132386495 776625508 /nfs/dbraw/zinc/62/55/08/776625508.db2.gz INHCTWFLROQUPV-LLVKDONJSA-N 1 1 323.353 -1.023 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CCn2cnnn2)CC[C@H]1C ZINC001132380266 776626664 /nfs/dbraw/zinc/62/66/64/776626664.db2.gz HWZLUAKBWOMVQV-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCn2cnnn2)CC[C@H]1C ZINC001132380266 776626669 /nfs/dbraw/zinc/62/66/69/776626669.db2.gz HWZLUAKBWOMVQV-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2cn(CC3CC3)nn2)NC1=O ZINC001132382855 776628106 /nfs/dbraw/zinc/62/81/06/776628106.db2.gz TXVMATLVYJNFBM-GFCCVEGCSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382948 776628219 /nfs/dbraw/zinc/62/82/19/776628219.db2.gz UWRMJRFTRLJWOJ-SNVBAGLBSA-N 1 1 309.374 -1.164 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)n2C)NC1=O ZINC001132382554 776628421 /nfs/dbraw/zinc/62/84/21/776628421.db2.gz NEQMUZKCZHRSRA-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000104833406 776630004 /nfs/dbraw/zinc/63/00/04/776630004.db2.gz UFNSJRKYGBZITC-UHFFFAOYSA-N 1 1 307.354 -1.382 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001086686340 776632236 /nfs/dbraw/zinc/63/22/36/776632236.db2.gz QVAFZQDZIZFIQV-IVZWLZJFSA-N 1 1 323.357 -1.307 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)n1 ZINC001132523530 776632444 /nfs/dbraw/zinc/63/24/44/776632444.db2.gz MRSZBZKGDJXUPF-JTQLQIEISA-N 1 1 321.316 -1.105 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132623827 776635280 /nfs/dbraw/zinc/63/52/80/776635280.db2.gz GQBHEIPWYTURKX-SNVBAGLBSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001132637780 776636593 /nfs/dbraw/zinc/63/65/93/776636593.db2.gz MAQYLAJTQDGQQP-VHSXEESVSA-N 1 1 324.389 -1.547 20 0 DAADMO CN1CC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)C1=O ZINC001132609223 776636646 /nfs/dbraw/zinc/63/66/46/776636646.db2.gz UGAXNCRRWBESIV-SNVBAGLBSA-N 1 1 307.358 -1.308 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132609461 776636721 /nfs/dbraw/zinc/63/67/21/776636721.db2.gz ZWQAFURBMJUSTP-JTQLQIEISA-N 1 1 309.374 -1.062 20 0 DAADMO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001132795019 776640636 /nfs/dbraw/zinc/64/06/36/776640636.db2.gz KQLRJLYEGGCXBH-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132773698 776641082 /nfs/dbraw/zinc/64/10/82/776641082.db2.gz OULDHRTWRBXLSN-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132849048 776643436 /nfs/dbraw/zinc/64/34/36/776643436.db2.gz ZYDSYAXGLWCDCZ-NEPJUHHUSA-N 1 1 300.403 -1.064 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001132848991 776643671 /nfs/dbraw/zinc/64/36/71/776643671.db2.gz YCULTBPHHDMJOH-ZDUSSCGKSA-N 1 1 303.403 -1.190 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132921983 776646923 /nfs/dbraw/zinc/64/69/23/776646923.db2.gz ZEFRQNSWFFQOPN-JTQLQIEISA-N 1 1 318.385 -1.046 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COc1cnn(C)c1)c1nnnn1C ZINC001132964632 776648039 /nfs/dbraw/zinc/64/80/39/776648039.db2.gz XQZDMMIDWXWOSK-VIFPVBQESA-N 1 1 308.346 -1.211 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001098481499 776649305 /nfs/dbraw/zinc/64/93/05/776649305.db2.gz TZDOKQRFUHRQIP-MNOVXSKESA-N 1 1 312.370 -2.122 20 0 DAADMO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001133000909 776649330 /nfs/dbraw/zinc/64/93/30/776649330.db2.gz NPJJPNOHHDKETB-SECBINFHSA-N 1 1 315.399 -1.025 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001133112275 776652497 /nfs/dbraw/zinc/65/24/97/776652497.db2.gz YOUMZUAPBHWOSN-MRVPVSSYSA-N 1 1 309.374 -1.011 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1nnnn1C1CC1 ZINC001133115403 776653760 /nfs/dbraw/zinc/65/37/60/776653760.db2.gz MJNJZXMVDYXQBT-VXNVDRBHSA-N 1 1 308.346 -1.544 20 0 DAADMO NC(=O)[C@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1 ZINC001133116300 776653877 /nfs/dbraw/zinc/65/38/77/776653877.db2.gz ZAAWRMFKLQUKSN-WDEREUQCSA-N 1 1 323.328 -1.261 20 0 DAADMO NC(=O)[C@H]([NH2+]CCNC(=O)[C@H]1CNC(=O)N1)c1ccc(F)cc1 ZINC001133116295 776654372 /nfs/dbraw/zinc/65/43/72/776654372.db2.gz ZAAWRMFKLQUKSN-GHMZBOCLSA-N 1 1 323.328 -1.261 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)c1nnnn1C ZINC001133151926 776656992 /nfs/dbraw/zinc/65/69/92/776656992.db2.gz MFFYYMLQDPRLQV-QMMMGPOBSA-N 1 1 319.391 -1.954 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133129003 776657906 /nfs/dbraw/zinc/65/79/06/776657906.db2.gz SQNUCULMUVJAQO-QMMMGPOBSA-N 1 1 310.362 -1.685 20 0 DAADMO NC(=O)C1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001133187852 776658883 /nfs/dbraw/zinc/65/88/83/776658883.db2.gz JINXWRPYNNJRQP-UHFFFAOYSA-N 1 1 308.342 -1.720 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148360 776659893 /nfs/dbraw/zinc/65/98/93/776659893.db2.gz QXQBGTBOHWEGPP-UHFFFAOYSA-N 1 1 303.388 -1.305 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC001133255533 776662834 /nfs/dbraw/zinc/66/28/34/776662834.db2.gz RBSRZCROOHGUHK-CABZTGNLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC001133255534 776663189 /nfs/dbraw/zinc/66/31/89/776663189.db2.gz RBSRZCROOHGUHK-SKDRFNHKSA-N 1 1 324.385 -1.703 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133254477 776663808 /nfs/dbraw/zinc/66/38/08/776663808.db2.gz BYXUQMUEQBDCOK-NEPJUHHUSA-N 1 1 322.369 -1.949 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)=NC1=O ZINC001133335524 776664987 /nfs/dbraw/zinc/66/49/87/776664987.db2.gz YRGTYBNNRAGHDJ-VIFPVBQESA-N 1 1 316.383 -1.120 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1[nH]ncc1F ZINC001133471079 776667502 /nfs/dbraw/zinc/66/75/02/776667502.db2.gz RBJNPHCBMXDVKM-VIFPVBQESA-N 1 1 304.322 -1.108 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)c1[nH]ncc1F ZINC001133470978 776668084 /nfs/dbraw/zinc/66/80/84/776668084.db2.gz RBJNPHCBMXDVKM-SECBINFHSA-N 1 1 304.322 -1.108 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cnnn1 ZINC001133616798 776670891 /nfs/dbraw/zinc/67/08/91/776670891.db2.gz XDSYWNKPUBRJRW-IUCAKERBSA-N 1 1 308.350 -1.730 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001133773536 776677091 /nfs/dbraw/zinc/67/70/91/776677091.db2.gz JHTLNPGCJVBPRP-WDEREUQCSA-N 1 1 310.358 -1.463 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)O1 ZINC001133784687 776678369 /nfs/dbraw/zinc/67/83/69/776678369.db2.gz XLCZXTCCAOHKDI-NEPJUHHUSA-N 1 1 324.385 -1.343 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911911 776683287 /nfs/dbraw/zinc/68/32/87/776683287.db2.gz PTZPAXQILDDYAU-ZJUUUORDSA-N 1 1 309.374 -1.200 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514699 776685326 /nfs/dbraw/zinc/68/53/26/776685326.db2.gz OUPBUJHUPSRBEO-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H](O)C1 ZINC001090514699 776685331 /nfs/dbraw/zinc/68/53/31/776685331.db2.gz OUPBUJHUPSRBEO-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134016668 776686715 /nfs/dbraw/zinc/68/67/15/776686715.db2.gz MTBKAXAWMLXLGE-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134016668 776686716 /nfs/dbraw/zinc/68/67/16/776686716.db2.gz MTBKAXAWMLXLGE-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134016578 776687125 /nfs/dbraw/zinc/68/71/25/776687125.db2.gz JXLAHWYHSCALAC-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001134016578 776687132 /nfs/dbraw/zinc/68/71/32/776687132.db2.gz JXLAHWYHSCALAC-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001134013693 776688018 /nfs/dbraw/zinc/68/80/18/776688018.db2.gz AUIXBVQYGGVPIU-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001134013693 776688024 /nfs/dbraw/zinc/68/80/24/776688024.db2.gz AUIXBVQYGGVPIU-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725433 776688583 /nfs/dbraw/zinc/68/85/83/776688583.db2.gz DYLVIBJNJKAAGK-MRVPVSSYSA-N 1 1 311.346 -1.713 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134013965 776688650 /nfs/dbraw/zinc/68/86/50/776688650.db2.gz KFCLXNHFBVQMOG-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134013965 776688655 /nfs/dbraw/zinc/68/86/55/776688655.db2.gz KFCLXNHFBVQMOG-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134037130 776688779 /nfs/dbraw/zinc/68/87/79/776688779.db2.gz SEGOZOARFNLFMG-QMMMGPOBSA-N 1 1 311.346 -1.713 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134037130 776688783 /nfs/dbraw/zinc/68/87/83/776688783.db2.gz SEGOZOARFNLFMG-QMMMGPOBSA-N 1 1 311.346 -1.713 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001170717338 776688850 /nfs/dbraw/zinc/68/88/50/776688850.db2.gz NVTUJJYYELDWPI-UHFFFAOYSA-N 1 1 310.358 -1.698 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)[nH]1 ZINC001134099311 776690153 /nfs/dbraw/zinc/69/01/53/776690153.db2.gz PNNMRVNCSILXCL-SNVBAGLBSA-N 1 1 319.373 -1.042 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001170726678 776690700 /nfs/dbraw/zinc/69/07/00/776690700.db2.gz PHCJTSPSYRXSHH-UHFFFAOYSA-N 1 1 309.330 -2.005 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098184 776690772 /nfs/dbraw/zinc/69/07/72/776690772.db2.gz ACNVRFGNYMEVIN-SNVBAGLBSA-N 1 1 319.373 -1.340 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)nn1 ZINC001134098686 776691104 /nfs/dbraw/zinc/69/11/04/776691104.db2.gz GHYWFDRYXFADTC-JTQLQIEISA-N 1 1 319.373 -1.340 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001134124214 776692634 /nfs/dbraw/zinc/69/26/34/776692634.db2.gz RYRMWLSHBCIRES-WDEREUQCSA-N 1 1 304.358 -1.047 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]Cc1nncn1C ZINC001134136507 776694427 /nfs/dbraw/zinc/69/44/27/776694427.db2.gz ZKTDHNIVZVFXIM-UHFFFAOYSA-N 1 1 319.369 -1.001 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134161593 776694590 /nfs/dbraw/zinc/69/45/90/776694590.db2.gz RBWGGLQQROPQCG-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC001090518243 776695969 /nfs/dbraw/zinc/69/59/69/776695969.db2.gz BPCFQWARYZOIEA-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC001090518243 776695971 /nfs/dbraw/zinc/69/59/71/776695971.db2.gz BPCFQWARYZOIEA-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)nn1 ZINC001134351746 776697283 /nfs/dbraw/zinc/69/72/83/776697283.db2.gz DVOBCMKWCOXRQX-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001134351468 776697870 /nfs/dbraw/zinc/69/78/70/776697870.db2.gz BZWVYMVZEWBROC-JGVFFNPUSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001134351470 776698241 /nfs/dbraw/zinc/69/82/41/776698241.db2.gz BZWVYMVZEWBROC-YUMQZZPRSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001134352824 776699683 /nfs/dbraw/zinc/69/96/83/776699683.db2.gz OEUIDTPNBIEIET-SSDOTTSWSA-N 1 1 305.364 -2.646 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134393212 776702397 /nfs/dbraw/zinc/70/23/97/776702397.db2.gz MFKJYZGPTWYBNI-UHFFFAOYSA-N 1 1 317.415 -1.013 20 0 DAADMO O=C(Cc1cnc[nH]1)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001134397508 776703279 /nfs/dbraw/zinc/70/32/79/776703279.db2.gz PFPDBNOKAOCOLZ-LLVKDONJSA-N 1 1 323.353 -1.832 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)[nH]1 ZINC001134456507 776705162 /nfs/dbraw/zinc/70/51/62/776705162.db2.gz XNICDKKQFUHJPH-SFYZADRCSA-N 1 1 323.357 -1.268 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001134487363 776706418 /nfs/dbraw/zinc/70/64/18/776706418.db2.gz MLKVJRMCUOWDDC-UHFFFAOYSA-N 1 1 318.403 -1.978 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1nccs1 ZINC001134487477 776706617 /nfs/dbraw/zinc/70/66/17/776706617.db2.gz OAUCWCZXWUWAEB-UHFFFAOYSA-N 1 1 321.428 -1.255 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C)co1 ZINC001134487592 776706985 /nfs/dbraw/zinc/70/69/85/776706985.db2.gz UBEMPZZNKFRABP-UHFFFAOYSA-N 1 1 319.387 -1.415 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1C ZINC001134460632 776707015 /nfs/dbraw/zinc/70/70/15/776707015.db2.gz GBUPJIMOCKQJLW-QMMMGPOBSA-N 1 1 323.357 -1.819 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090519716 776711546 /nfs/dbraw/zinc/71/15/46/776711546.db2.gz KEOCHLBCFHZRFN-MNOVXSKESA-N 1 1 311.338 -1.535 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090519717 776712228 /nfs/dbraw/zinc/71/22/28/776712228.db2.gz KEOCHLBCFHZRFN-QWRGUYRKSA-N 1 1 311.338 -1.535 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2ccnnc2)CC1 ZINC001098487354 776714515 /nfs/dbraw/zinc/71/45/15/776714515.db2.gz SODYLXCWMDICOY-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O)nn1 ZINC001134667498 776716164 /nfs/dbraw/zinc/71/61/64/776716164.db2.gz PAZRDQBSMDYMJU-UHFFFAOYSA-N 1 1 303.388 -1.156 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NCC[NH2+]Cc1ccon1 ZINC001134665633 776720131 /nfs/dbraw/zinc/72/01/31/776720131.db2.gz PEGWPCQLMWBOCN-UHFFFAOYSA-N 1 1 317.309 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C1(NC(N)=O)CCCCC1 ZINC001134735765 776721894 /nfs/dbraw/zinc/72/18/94/776721894.db2.gz VDVLOYGNTXEINH-UHFFFAOYSA-N 1 1 324.389 -1.213 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)nn1 ZINC001134714553 776722227 /nfs/dbraw/zinc/72/22/27/776722227.db2.gz WOKYRVFVXYASCQ-UHFFFAOYSA-N 1 1 323.313 -2.559 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nncn1C)C(N)=O ZINC001134829487 776723231 /nfs/dbraw/zinc/72/32/31/776723231.db2.gz KOAGMLXWWCXVBG-VIFPVBQESA-N 1 1 311.346 -2.599 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+][C@H](C)c1ncccn1)C(N)=O ZINC001134829977 776725128 /nfs/dbraw/zinc/72/51/28/776725128.db2.gz UZQLNXLWWMXQCB-KOLCDFICSA-N 1 1 322.369 -1.377 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001134842748 776725461 /nfs/dbraw/zinc/72/54/61/776725461.db2.gz DUWRYJNAFYLBJJ-SFYZADRCSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001134842745 776725560 /nfs/dbraw/zinc/72/55/60/776725560.db2.gz DUWRYJNAFYLBJJ-HTQZYQBOSA-N 1 1 311.346 -1.253 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nccn1C)C(N)=O ZINC001134830098 776725844 /nfs/dbraw/zinc/72/58/44/776725844.db2.gz WFYTXTGGVPGAPX-JTQLQIEISA-N 1 1 310.358 -1.994 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134890223 776727650 /nfs/dbraw/zinc/72/76/50/776727650.db2.gz CFBDNLKADIMAGL-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)n1 ZINC001134960632 776731063 /nfs/dbraw/zinc/73/10/63/776731063.db2.gz AZWUIJGCRFJCGG-UHFFFAOYSA-N 1 1 318.403 -1.651 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961058 776731711 /nfs/dbraw/zinc/73/17/11/776731711.db2.gz JJXWDPHYOOJMOG-UHFFFAOYSA-N 1 1 318.403 -1.651 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCN(C)S2(=O)=O)n1 ZINC001135125579 776735465 /nfs/dbraw/zinc/73/54/65/776735465.db2.gz HAUOXTYDLPLRQK-NSHDSACASA-N 1 1 315.399 -1.340 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095967 776735594 /nfs/dbraw/zinc/73/55/94/776735594.db2.gz YCEKHCODLVJXOD-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095967 776735600 /nfs/dbraw/zinc/73/56/00/776735600.db2.gz YCEKHCODLVJXOD-GHMZBOCLSA-N 1 1 311.386 -1.096 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135155469 776738910 /nfs/dbraw/zinc/73/89/10/776738910.db2.gz PMHFVMVSZWQZDQ-UHFFFAOYSA-N 1 1 321.341 -1.991 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135155891 776739380 /nfs/dbraw/zinc/73/93/80/776739380.db2.gz XKNMMHSWEPSKTM-UHFFFAOYSA-N 1 1 320.353 -1.386 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)n1 ZINC001135154430 776739676 /nfs/dbraw/zinc/73/96/76/776739676.db2.gz FINIUUFPVPLVFK-UHFFFAOYSA-N 1 1 320.353 -1.386 20 0 DAADMO O=C(NCC[NH2+]Cc1ccon1)C1CC2(C1)NC(=O)NC2=O ZINC001135154730 776739829 /nfs/dbraw/zinc/73/98/29/776739829.db2.gz GXHDRQIIDFGQFZ-UHFFFAOYSA-N 1 1 307.310 -1.131 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001135158968 776740785 /nfs/dbraw/zinc/74/07/85/776740785.db2.gz MAWOWCHLYNFABC-GFCCVEGCSA-N 1 1 315.399 -1.012 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@]2(C)CCCS2(=O)=O)nn1 ZINC001135159653 776741262 /nfs/dbraw/zinc/74/12/62/776741262.db2.gz XZXNTZKSZWPTAU-LBPRGKRZSA-N 1 1 315.399 -1.012 20 0 DAADMO CC(=O)NC1(C(=O)NCC[NH2+]Cc2nnnn2C)CCCC1 ZINC001135200340 776742797 /nfs/dbraw/zinc/74/27/97/776742797.db2.gz YPARRRGRFGTYQY-UHFFFAOYSA-N 1 1 309.374 -1.135 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001135250040 776745915 /nfs/dbraw/zinc/74/59/15/776745915.db2.gz JWPHUGLCCUWRTF-UHFFFAOYSA-N 1 1 322.369 -1.460 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C1CC(=O)NC(=O)C1)c1nnnn1C ZINC001135269586 776747458 /nfs/dbraw/zinc/74/74/58/776747458.db2.gz NZMSCZNTYRQSST-ZETCQYMHSA-N 1 1 309.330 -1.970 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001135270166 776747535 /nfs/dbraw/zinc/74/75/35/776747535.db2.gz SYPQWXWUMYWUDX-UHFFFAOYSA-N 1 1 322.369 -1.135 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C1CC(=O)NC(=O)C1)c1nnnn1C ZINC001135269585 776747542 /nfs/dbraw/zinc/74/75/42/776747542.db2.gz NZMSCZNTYRQSST-SSDOTTSWSA-N 1 1 309.330 -1.970 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)n1 ZINC001135269587 776747700 /nfs/dbraw/zinc/74/77/00/776747700.db2.gz OBXGNAHUOMTMKA-UHFFFAOYSA-N 1 1 308.342 -1.443 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269592 776747861 /nfs/dbraw/zinc/74/78/61/776747861.db2.gz OTDCESNZRNZZLF-UHFFFAOYSA-N 1 1 308.342 -1.443 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135321486 776749156 /nfs/dbraw/zinc/74/91/56/776749156.db2.gz VUIUBBXLBHSUEL-DTWKUNHWSA-N 1 1 320.357 -1.020 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ccon1 ZINC001135384546 776753048 /nfs/dbraw/zinc/75/30/48/776753048.db2.gz GHWGMFOMSLFSOU-NSHDSACASA-N 1 1 311.342 -1.349 20 0 DAADMO CC(=O)NCc1ccc(C(=O)NCC[NH2+]Cc2nnnn2C)o1 ZINC001135401099 776753784 /nfs/dbraw/zinc/75/37/84/776753784.db2.gz ZPLVQVIVGOPTKN-UHFFFAOYSA-N 1 1 321.341 -1.041 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1nnnn1C ZINC001135443659 776754119 /nfs/dbraw/zinc/75/41/19/776754119.db2.gz BZYKHRDHICCMGP-SSDOTTSWSA-N 1 1 310.318 -2.471 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1ncccn1 ZINC001135444276 776755824 /nfs/dbraw/zinc/75/58/24/776755824.db2.gz QXLSPYVPHYOOTG-SECBINFHSA-N 1 1 306.326 -1.205 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CC(=O)NC2=O)[nH]1 ZINC001135444487 776756207 /nfs/dbraw/zinc/75/62/07/776756207.db2.gz WDFKXECMPDMBIO-ZETCQYMHSA-N 1 1 309.330 -1.568 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CNC(=O)C2CCOCC2)[nH]1 ZINC001135474524 776757437 /nfs/dbraw/zinc/75/74/37/776757437.db2.gz SGAFOXQXVATJPW-UHFFFAOYSA-N 1 1 324.385 -1.138 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135440063 776757679 /nfs/dbraw/zinc/75/76/79/776757679.db2.gz DBLZRBXTDKELIM-UHFFFAOYSA-N 1 1 322.329 -2.234 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)C[C@H](C)O1 ZINC001135525982 776759503 /nfs/dbraw/zinc/75/95/03/776759503.db2.gz MFRRFYKKGXODKB-AOOOYVTPSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)C[C@H](C)O1 ZINC001135525982 776759506 /nfs/dbraw/zinc/75/95/06/776759506.db2.gz MFRRFYKKGXODKB-AOOOYVTPSA-N 1 1 310.358 -1.240 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090523226 776760239 /nfs/dbraw/zinc/76/02/39/776760239.db2.gz OSIFIPIDIJVZNR-GHMZBOCLSA-N 1 1 320.353 -1.479 20 0 DAADMO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135525841 776760256 /nfs/dbraw/zinc/76/02/56/776760256.db2.gz FXAIDIGZPZRKGI-UHFFFAOYSA-N 1 1 319.387 -1.425 20 0 DAADMO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135525841 776760264 /nfs/dbraw/zinc/76/02/64/776760264.db2.gz FXAIDIGZPZRKGI-UHFFFAOYSA-N 1 1 319.387 -1.425 20 0 DAADMO O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001135520781 776760557 /nfs/dbraw/zinc/76/05/57/776760557.db2.gz ODNPBUHYIFITJK-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001135520781 776760560 /nfs/dbraw/zinc/76/05/60/776760560.db2.gz ODNPBUHYIFITJK-SECBINFHSA-N 1 1 301.372 -1.051 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nnc[nH]1)NCc1cccnc1 ZINC001135520461 776760576 /nfs/dbraw/zinc/76/05/76/776760576.db2.gz JYPRSSYAYQRSQV-UHFFFAOYSA-N 1 1 303.326 -1.165 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)NCc1cccnc1 ZINC001135520461 776760578 /nfs/dbraw/zinc/76/05/78/776760578.db2.gz JYPRSSYAYQRSQV-UHFFFAOYSA-N 1 1 303.326 -1.165 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135524158 776760619 /nfs/dbraw/zinc/76/06/19/776760619.db2.gz RFEFCOMGVMGXFQ-ZJUUUORDSA-N 1 1 301.347 -1.464 20 0 DAADMO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135524158 776760622 /nfs/dbraw/zinc/76/06/22/776760622.db2.gz RFEFCOMGVMGXFQ-ZJUUUORDSA-N 1 1 301.347 -1.464 20 0 DAADMO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)C1 ZINC001135529293 776762207 /nfs/dbraw/zinc/76/22/07/776762207.db2.gz MZJNLHOYRJJVME-VIFPVBQESA-N 1 1 323.357 -2.152 20 0 DAADMO NC(=O)[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)C1 ZINC001135529293 776762211 /nfs/dbraw/zinc/76/22/11/776762211.db2.gz MZJNLHOYRJJVME-VIFPVBQESA-N 1 1 323.357 -2.152 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1nc2ncccn2n1 ZINC001135554083 776762363 /nfs/dbraw/zinc/76/23/63/776762363.db2.gz KWEFWPYVMCBPCX-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001135529416 776762418 /nfs/dbraw/zinc/76/24/18/776762418.db2.gz RBRKMQKQRGPCEQ-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC[C@H]1CCCO1 ZINC001135529416 776762424 /nfs/dbraw/zinc/76/24/24/776762424.db2.gz RBRKMQKQRGPCEQ-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)c2ncn[nH]2)C1=O ZINC001135529389 776762592 /nfs/dbraw/zinc/76/25/92/776762592.db2.gz QNBCLGVVERRRHJ-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)c2nc[nH]n2)C1=O ZINC001135529389 776762599 /nfs/dbraw/zinc/76/25/99/776762599.db2.gz QNBCLGVVERRRHJ-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO Cn1ncc2c1nc(C[NH2+]CCNC(=O)c1cnon1)[nH]c2=O ZINC001135576770 776763720 /nfs/dbraw/zinc/76/37/20/776763720.db2.gz GCGOOORVQOHWMV-UHFFFAOYSA-N 1 1 318.297 -1.029 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CCOCC1)c1cnon1 ZINC001135562902 776763804 /nfs/dbraw/zinc/76/38/04/776763804.db2.gz YCIMGLUUSBNPJS-UHFFFAOYSA-N 1 1 322.329 -1.073 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001135669149 776765052 /nfs/dbraw/zinc/76/50/52/776765052.db2.gz AVXZQUUYYDLVDE-UHFFFAOYSA-N 1 1 321.341 -1.227 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001135669140 776765180 /nfs/dbraw/zinc/76/51/80/776765180.db2.gz ABUWPMKBJZEYIL-UHFFFAOYSA-N 1 1 321.341 -1.227 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1ncnn1CCF ZINC001135677322 776766910 /nfs/dbraw/zinc/76/69/10/776766910.db2.gz CKOSJSNBRLILDS-UHFFFAOYSA-N 1 1 311.325 -1.470 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncn[nH]1 ZINC001135735717 776768506 /nfs/dbraw/zinc/76/85/06/776768506.db2.gz UPEFDDOGVDWHRF-JGVFFNPUSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nc[nH]n1 ZINC001135735717 776768510 /nfs/dbraw/zinc/76/85/10/776768510.db2.gz UPEFDDOGVDWHRF-JGVFFNPUSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncn[nH]1 ZINC001135735718 776768864 /nfs/dbraw/zinc/76/88/64/776768864.db2.gz UPEFDDOGVDWHRF-SFYZADRCSA-N 1 1 311.346 -1.253 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001135735718 776768869 /nfs/dbraw/zinc/76/88/69/776768869.db2.gz UPEFDDOGVDWHRF-SFYZADRCSA-N 1 1 311.346 -1.253 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1ncn[nH]1 ZINC001135734903 776769188 /nfs/dbraw/zinc/76/91/88/776769188.db2.gz POQQKZADSGSULV-RKDXNWHRSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1nc[nH]n1 ZINC001135734903 776769193 /nfs/dbraw/zinc/76/91/93/776769193.db2.gz POQQKZADSGSULV-RKDXNWHRSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CCn1cnnn1 ZINC001135759579 776770950 /nfs/dbraw/zinc/77/09/50/776770950.db2.gz NUKVXCHBFHAZKH-UWVGGRQHSA-N 1 1 322.377 -1.340 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)c1 ZINC001135816292 776772244 /nfs/dbraw/zinc/77/22/44/776772244.db2.gz OHYMRIYPJNUVFB-UHFFFAOYSA-N 1 1 318.341 -1.045 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001135895093 776772780 /nfs/dbraw/zinc/77/27/80/776772780.db2.gz CZNFOAUXVUATMW-HTQZYQBOSA-N 1 1 311.346 -1.585 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2ncnn2C)c(=O)n1 ZINC001135831576 776773014 /nfs/dbraw/zinc/77/30/14/776773014.db2.gz IVGGLHSCHDFXAX-UHFFFAOYSA-N 1 1 319.369 -1.105 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001135895095 776774775 /nfs/dbraw/zinc/77/47/75/776774775.db2.gz CZNFOAUXVUATMW-SFYZADRCSA-N 1 1 311.346 -1.585 20 0 DAADMO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)n1 ZINC001090530951 776783111 /nfs/dbraw/zinc/78/31/11/776783111.db2.gz GOVRRSZVRGBAGV-GHMZBOCLSA-N 1 1 323.353 -1.670 20 0 DAADMO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c(C)n1 ZINC001090530951 776783115 /nfs/dbraw/zinc/78/31/15/776783115.db2.gz GOVRRSZVRGBAGV-GHMZBOCLSA-N 1 1 323.353 -1.670 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001090531863 776783281 /nfs/dbraw/zinc/78/32/81/776783281.db2.gz ONBKLIOGPLKAHW-RYUDHWBXSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001090533312 776786098 /nfs/dbraw/zinc/78/60/98/776786098.db2.gz YVZSRPCXYVSVJP-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001090533312 776786110 /nfs/dbraw/zinc/78/61/10/776786110.db2.gz YVZSRPCXYVSVJP-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001090534621 776788464 /nfs/dbraw/zinc/78/84/64/776788464.db2.gz PSUMXYBNVTZQBH-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001090534621 776788468 /nfs/dbraw/zinc/78/84/68/776788468.db2.gz PSUMXYBNVTZQBH-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001090540325 776789122 /nfs/dbraw/zinc/78/91/22/776789122.db2.gz OOZATAYTZJGUTN-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090576613 776791417 /nfs/dbraw/zinc/79/14/17/776791417.db2.gz NAWDDUKPIGRUAT-GXTWGEPZSA-N 1 1 323.397 -1.299 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1nccn2ccnc12 ZINC001090580409 776793182 /nfs/dbraw/zinc/79/31/82/776793182.db2.gz JRQOQHZMQHIWHD-GHMZBOCLSA-N 1 1 305.338 -1.113 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001090584671 776793669 /nfs/dbraw/zinc/79/36/69/776793669.db2.gz UWDOZDOUALFGLV-YPMHNXCESA-N 1 1 322.365 -1.354 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090581122 776794136 /nfs/dbraw/zinc/79/41/36/776794136.db2.gz OLVSPVYULVVBIG-JQWIXIFHSA-N 1 1 324.381 -1.492 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001090584668 776794502 /nfs/dbraw/zinc/79/45/02/776794502.db2.gz UWDOZDOUALFGLV-AAEUAGOBSA-N 1 1 322.365 -1.354 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590930 776794578 /nfs/dbraw/zinc/79/45/78/776794578.db2.gz ZFZJWJLPAVBOET-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1 ZINC001090590930 776794584 /nfs/dbraw/zinc/79/45/84/776794584.db2.gz ZFZJWJLPAVBOET-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090601664 776795366 /nfs/dbraw/zinc/79/53/66/776795366.db2.gz VFBVSSMUCGENAK-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090601664 776795373 /nfs/dbraw/zinc/79/53/73/776795373.db2.gz VFBVSSMUCGENAK-NWDGAFQWSA-N 1 1 309.370 -1.408 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](O)C1 ZINC001090603950 776795528 /nfs/dbraw/zinc/79/55/28/776795528.db2.gz ABWPGNZAUYUPQV-CMPLNLGQSA-N 1 1 320.353 -1.538 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610445 776796649 /nfs/dbraw/zinc/79/66/49/776796649.db2.gz SBFTYHCEGIUTCX-QWRGUYRKSA-N 1 1 310.354 -1.731 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090601666 776797011 /nfs/dbraw/zinc/79/70/11/776797011.db2.gz VFBVSSMUCGENAK-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001090601666 776797015 /nfs/dbraw/zinc/79/70/15/776797015.db2.gz VFBVSSMUCGENAK-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO COc1c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(C)nn1C ZINC001090614596 776797576 /nfs/dbraw/zinc/79/75/76/776797576.db2.gz ALKNNLIPYLIGSN-QWRGUYRKSA-N 1 1 312.370 -1.106 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090612082 776797779 /nfs/dbraw/zinc/79/77/79/776797779.db2.gz KQUDMCVTONPOAX-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090612082 776797782 /nfs/dbraw/zinc/79/77/82/776797782.db2.gz KQUDMCVTONPOAX-CHWSQXEVSA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001090640778 776799070 /nfs/dbraw/zinc/79/90/70/776799070.db2.gz KEDASTWUKLETTM-WDEREUQCSA-N 1 1 321.337 -1.408 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090634261 776799324 /nfs/dbraw/zinc/79/93/24/776799324.db2.gz UVRJMBQNLZATPD-QWRGUYRKSA-N 1 1 312.374 -1.660 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2cccnn21 ZINC001090631605 776799384 /nfs/dbraw/zinc/79/93/84/776799384.db2.gz UUGWAXCWHUVYCY-JQWIXIFHSA-N 1 1 305.338 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090640531 776799747 /nfs/dbraw/zinc/79/97/47/776799747.db2.gz JFFVVFVYRPHWHB-QWRGUYRKSA-N 1 1 313.354 -1.763 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090640530 776799953 /nfs/dbraw/zinc/79/99/53/776799953.db2.gz JFFVVFVYRPHWHB-MNOVXSKESA-N 1 1 313.354 -1.763 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090640532 776800067 /nfs/dbraw/zinc/80/00/67/776800067.db2.gz JFFVVFVYRPHWHB-WDEREUQCSA-N 1 1 313.354 -1.763 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090633629 776800967 /nfs/dbraw/zinc/80/09/67/776800967.db2.gz PJJBCWLRTVVSML-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1 ZINC001090633629 776800975 /nfs/dbraw/zinc/80/09/75/776800975.db2.gz PJJBCWLRTVVSML-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@@H](O)C1 ZINC001090639322 776801106 /nfs/dbraw/zinc/80/11/06/776801106.db2.gz XCHKKVPLUNWTII-NEPJUHHUSA-N 1 1 324.385 -1.250 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090634260 776801186 /nfs/dbraw/zinc/80/11/86/776801186.db2.gz UVRJMBQNLZATPD-MNOVXSKESA-N 1 1 312.374 -1.660 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001090643718 776801685 /nfs/dbraw/zinc/80/16/85/776801685.db2.gz HBXNTXMOXDAEPS-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001090643718 776801694 /nfs/dbraw/zinc/80/16/94/776801694.db2.gz HBXNTXMOXDAEPS-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090643145 776803306 /nfs/dbraw/zinc/80/33/06/776803306.db2.gz DRKKIZOFANCNGE-PWSUYJOCSA-N 1 1 320.357 -1.728 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090653791 776807202 /nfs/dbraw/zinc/80/72/02/776807202.db2.gz ZWHOIJOGPWXIOX-NXEZZACHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090655773 776807573 /nfs/dbraw/zinc/80/75/73/776807573.db2.gz VTWIAJPVPWOUOX-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090655612 776807636 /nfs/dbraw/zinc/80/76/36/776807636.db2.gz SOFPNGVSQKWCNH-AAEUAGOBSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090653673 776807927 /nfs/dbraw/zinc/80/79/27/776807927.db2.gz XTKJURFLVPZZOA-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090655614 776807950 /nfs/dbraw/zinc/80/79/50/776807950.db2.gz SOFPNGVSQKWCNH-WCQYABFASA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1nnc[nH]1 ZINC001090658270 776809694 /nfs/dbraw/zinc/80/96/94/776809694.db2.gz UPOHZQZVUKHYTA-NXEZZACHSA-N 1 1 306.330 -1.739 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC001090658367 776812661 /nfs/dbraw/zinc/81/26/61/776812661.db2.gz XMNRJDVTPGTMEN-MNOVXSKESA-N 1 1 322.369 -1.408 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC001090661129 776813070 /nfs/dbraw/zinc/81/30/70/776813070.db2.gz YVLPUZXXRNXBLH-ZYHUDNBSSA-N 1 1 323.353 -1.145 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC001090661129 776813083 /nfs/dbraw/zinc/81/30/83/776813083.db2.gz YVLPUZXXRNXBLH-ZYHUDNBSSA-N 1 1 323.353 -1.145 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC001090660212 776813429 /nfs/dbraw/zinc/81/34/29/776813429.db2.gz OXLQEROGPXGFGQ-GXSJLCMTSA-N 1 1 307.314 -1.474 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC001090664484 776813719 /nfs/dbraw/zinc/81/37/19/776813719.db2.gz KIBCTUKOJIQMDE-NWDGAFQWSA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090663818 776814696 /nfs/dbraw/zinc/81/46/96/776814696.db2.gz DFNNWOZMYZGYLI-QWRGUYRKSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090663818 776814705 /nfs/dbraw/zinc/81/47/05/776814705.db2.gz DFNNWOZMYZGYLI-QWRGUYRKSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC001090661118 776814863 /nfs/dbraw/zinc/81/48/63/776814863.db2.gz YVLPUZXXRNXBLH-CMPLNLGQSA-N 1 1 323.353 -1.145 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC001090661118 776814870 /nfs/dbraw/zinc/81/48/70/776814870.db2.gz YVLPUZXXRNXBLH-CMPLNLGQSA-N 1 1 323.353 -1.145 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC001090668122 776815223 /nfs/dbraw/zinc/81/52/23/776815223.db2.gz RVSCWNAJOVODDN-WCQYABFASA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC001090664983 776815353 /nfs/dbraw/zinc/81/53/53/776815353.db2.gz SRAGKHXJAQVTDV-WCQYABFASA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ncccn1 ZINC001090664486 776816531 /nfs/dbraw/zinc/81/65/31/776816531.db2.gz KIBCTUKOJIQMDE-VXGBXAGGSA-N 1 1 317.353 -1.067 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC001090682456 776817766 /nfs/dbraw/zinc/81/77/66/776817766.db2.gz LSVXSOAVNALPOU-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1 ZINC001090682456 776817779 /nfs/dbraw/zinc/81/77/79/776817779.db2.gz LSVXSOAVNALPOU-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673370 776818240 /nfs/dbraw/zinc/81/82/40/776818240.db2.gz KCMUZBTZYFCARC-WDEREUQCSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673370 776818251 /nfs/dbraw/zinc/81/82/51/776818251.db2.gz KCMUZBTZYFCARC-WDEREUQCSA-N 1 1 309.370 -1.408 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC001090672014 776819113 /nfs/dbraw/zinc/81/91/13/776819113.db2.gz ONMYVGHRDRZNLT-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC001090672014 776819122 /nfs/dbraw/zinc/81/91/22/776819122.db2.gz ONMYVGHRDRZNLT-WCQYABFASA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673367 776819168 /nfs/dbraw/zinc/81/91/68/776819168.db2.gz KCMUZBTZYFCARC-GHMZBOCLSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001090673367 776819178 /nfs/dbraw/zinc/81/91/78/776819178.db2.gz KCMUZBTZYFCARC-GHMZBOCLSA-N 1 1 309.370 -1.408 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC001090672013 776819307 /nfs/dbraw/zinc/81/93/07/776819307.db2.gz ONMYVGHRDRZNLT-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](O)C1)N1CCC1 ZINC001090672013 776819313 /nfs/dbraw/zinc/81/93/13/776819313.db2.gz ONMYVGHRDRZNLT-DGCLKSJQSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090680364 776821829 /nfs/dbraw/zinc/82/18/29/776821829.db2.gz UWGNMGWGDXIWFX-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC001090684331 776822385 /nfs/dbraw/zinc/82/23/85/776822385.db2.gz XBUVRVJQYGUTLI-WCQYABFASA-N 1 1 309.370 -1.155 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090708014 776823478 /nfs/dbraw/zinc/82/34/78/776823478.db2.gz CPHZQTVQXQYQJZ-NXEZZACHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090708017 776824352 /nfs/dbraw/zinc/82/43/52/776824352.db2.gz CPHZQTVQXQYQJZ-ZJUUUORDSA-N 1 1 314.342 -2.528 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710968 776826197 /nfs/dbraw/zinc/82/61/97/776826197.db2.gz ZFEZIQGNBIPARU-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090709352 776826649 /nfs/dbraw/zinc/82/66/49/776826649.db2.gz LULPBYNPBSYBSA-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@H](O)C1 ZINC001090709515 776827109 /nfs/dbraw/zinc/82/71/09/776827109.db2.gz NOEGANPMDUCZOL-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001090720944 776829002 /nfs/dbraw/zinc/82/90/02/776829002.db2.gz CQXQNOZHNGRVHP-WDEREUQCSA-N 1 1 321.337 -1.408 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001090720941 776830211 /nfs/dbraw/zinc/83/02/11/776830211.db2.gz CQXQNOZHNGRVHP-MNOVXSKESA-N 1 1 321.337 -1.408 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001090722474 776830244 /nfs/dbraw/zinc/83/02/44/776830244.db2.gz MERAEYIPYLMCBA-NWDGAFQWSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090716317 776831175 /nfs/dbraw/zinc/83/11/75/776831175.db2.gz NQRRYXRNNVJYNJ-WDEREUQCSA-N 1 1 320.357 -1.810 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090723929 776832278 /nfs/dbraw/zinc/83/22/78/776832278.db2.gz ZKIRKGNZDMBNFB-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H](O)C1 ZINC001090724421 776833582 /nfs/dbraw/zinc/83/35/82/776833582.db2.gz IWOBNKLMPGGOHI-ONGXEEELSA-N 1 1 320.353 -1.007 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090722756 776834301 /nfs/dbraw/zinc/83/43/01/776834301.db2.gz PQQCZSRXNFTQDM-WDEREUQCSA-N 1 1 312.370 -1.160 20 0 DAADMO Cn1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001090736716 776835807 /nfs/dbraw/zinc/83/58/07/776835807.db2.gz KAOWITBOCXTASM-QWHCGFSZSA-N 1 1 309.366 -1.067 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090734794 776836591 /nfs/dbraw/zinc/83/65/91/776836591.db2.gz QFXMZVNWUZCETN-AAEUAGOBSA-N 1 1 322.365 -1.402 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090765095 776839680 /nfs/dbraw/zinc/83/96/80/776839680.db2.gz VAEZCOUANOFJBT-YPMHNXCESA-N 1 1 323.397 -1.100 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090765095 776839686 /nfs/dbraw/zinc/83/96/86/776839686.db2.gz VAEZCOUANOFJBT-YPMHNXCESA-N 1 1 323.397 -1.100 20 0 DAADMO COc1c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cnn1C ZINC001090759955 776839893 /nfs/dbraw/zinc/83/98/93/776839893.db2.gz MZUIWVQYSXCOKN-NEPJUHHUSA-N 1 1 312.370 -1.024 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001090771279 776841866 /nfs/dbraw/zinc/84/18/66/776841866.db2.gz PYJPRKRUVWCBFN-NEPJUHHUSA-N 1 1 311.386 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c(=O)n1C ZINC001090771818 776842049 /nfs/dbraw/zinc/84/20/49/776842049.db2.gz WXGIBECUJWELRK-MNOVXSKESA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c(=O)n1C ZINC001090771818 776842056 /nfs/dbraw/zinc/84/20/56/776842056.db2.gz WXGIBECUJWELRK-MNOVXSKESA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)n1C ZINC001090771486 776842284 /nfs/dbraw/zinc/84/22/84/776842284.db2.gz SVJPZWZSTCGBNQ-WDEREUQCSA-N 1 1 313.358 -2.566 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001090789987 776842749 /nfs/dbraw/zinc/84/27/49/776842749.db2.gz KMUNSFGELZSQAJ-JQWIXIFHSA-N 1 1 310.354 -1.408 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090785210 776842842 /nfs/dbraw/zinc/84/28/42/776842842.db2.gz XZRJMMVCPLTIBZ-RYUDHWBXSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090785210 776842852 /nfs/dbraw/zinc/84/28/52/776842852.db2.gz XZRJMMVCPLTIBZ-RYUDHWBXSA-N 1 1 322.369 -1.938 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001090789990 776842915 /nfs/dbraw/zinc/84/29/15/776842915.db2.gz KMUNSFGELZSQAJ-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 ZINC001090785479 776843190 /nfs/dbraw/zinc/84/31/90/776843190.db2.gz ZSMXMDCFWIWVDD-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090791961 776843355 /nfs/dbraw/zinc/84/33/55/776843355.db2.gz XWVBEOLTOKSYRZ-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001090789989 776843418 /nfs/dbraw/zinc/84/34/18/776843418.db2.gz KMUNSFGELZSQAJ-PWSUYJOCSA-N 1 1 310.354 -1.408 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090788489 776843771 /nfs/dbraw/zinc/84/37/71/776843771.db2.gz YKFHMBBEDNGVNV-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090788489 776843779 /nfs/dbraw/zinc/84/37/79/776843779.db2.gz YKFHMBBEDNGVNV-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](O)C1 ZINC001090785485 776843828 /nfs/dbraw/zinc/84/38/28/776843828.db2.gz ZSMXMDCFWIWVDD-VHSXEESVSA-N 1 1 312.370 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090785208 776843944 /nfs/dbraw/zinc/84/39/44/776843944.db2.gz XZRJMMVCPLTIBZ-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090785208 776843952 /nfs/dbraw/zinc/84/39/52/776843952.db2.gz XZRJMMVCPLTIBZ-NEPJUHHUSA-N 1 1 322.369 -1.938 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786542 776844119 /nfs/dbraw/zinc/84/41/19/776844119.db2.gz HHTNKYCYFUQOCU-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786542 776844136 /nfs/dbraw/zinc/84/41/36/776844136.db2.gz HHTNKYCYFUQOCU-OLZOCXBDSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786544 776844383 /nfs/dbraw/zinc/84/43/83/776844383.db2.gz HHTNKYCYFUQOCU-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@@H](O)C2)cn1 ZINC001090786544 776844392 /nfs/dbraw/zinc/84/43/92/776844392.db2.gz HHTNKYCYFUQOCU-STQMWFEESA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001171064825 776845363 /nfs/dbraw/zinc/84/53/63/776845363.db2.gz OIESVIZPYZIWTG-MWLCHTKSSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001171064825 776845372 /nfs/dbraw/zinc/84/53/72/776845372.db2.gz OIESVIZPYZIWTG-MWLCHTKSSA-N 1 1 306.370 -1.106 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090794524 776845395 /nfs/dbraw/zinc/84/53/95/776845395.db2.gz RAXCZXDPVRHWLJ-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090794270 776845480 /nfs/dbraw/zinc/84/54/80/776845480.db2.gz NRDRYZSREZNMKY-UWVGGRQHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090794663 776846271 /nfs/dbraw/zinc/84/62/71/776846271.db2.gz RSOUICQFLHBGNZ-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001171064822 776846411 /nfs/dbraw/zinc/84/64/11/776846411.db2.gz OIESVIZPYZIWTG-GXSJLCMTSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001171064822 776846420 /nfs/dbraw/zinc/84/64/20/776846420.db2.gz OIESVIZPYZIWTG-GXSJLCMTSA-N 1 1 306.370 -1.106 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090791572 776846929 /nfs/dbraw/zinc/84/69/29/776846929.db2.gz AZPUFILWOZWJBE-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001090791525 776846954 /nfs/dbraw/zinc/84/69/54/776846954.db2.gz ASCKVBAHOZVUMM-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090793974 776847036 /nfs/dbraw/zinc/84/70/36/776847036.db2.gz JHHDWQKTMSQYMZ-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090793766 776847322 /nfs/dbraw/zinc/84/73/22/776847322.db2.gz HTUIHRYGLUCPBP-MNOVXSKESA-N 1 1 315.395 -1.238 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)C1=O ZINC001090795863 776847724 /nfs/dbraw/zinc/84/77/24/776847724.db2.gz ZWXNDGMWFCFQSD-VHSXEESVSA-N 1 1 314.342 -2.576 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090792704 776847973 /nfs/dbraw/zinc/84/79/73/776847973.db2.gz GWPVBOOWYHGUHN-VHSXEESVSA-N 1 1 323.353 -1.877 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090795433 776848133 /nfs/dbraw/zinc/84/81/33/776848133.db2.gz XAZBABAZHKOMNX-DTWKUNHWSA-N 1 1 300.315 -2.918 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001090795864 776848389 /nfs/dbraw/zinc/84/83/89/776848389.db2.gz ZWXNDGMWFCFQSD-ZJUUUORDSA-N 1 1 314.342 -2.576 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090797291 776848876 /nfs/dbraw/zinc/84/88/76/776848876.db2.gz WUTSEWBSIHRUGS-MNOVXSKESA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090794668 776849555 /nfs/dbraw/zinc/84/95/55/776849555.db2.gz RSOUICQFLHBGNZ-WDEREUQCSA-N 1 1 310.354 -1.500 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090795128 776849657 /nfs/dbraw/zinc/84/96/57/776849657.db2.gz UHEOHQIKAUKCJG-WDEREUQCSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090797290 776849673 /nfs/dbraw/zinc/84/96/73/776849673.db2.gz WUTSEWBSIHRUGS-GHMZBOCLSA-N 1 1 313.354 -1.931 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001090794678 776849722 /nfs/dbraw/zinc/84/97/22/776849722.db2.gz RTVFOHRFQUDMCS-UWVGGRQHSA-N 1 1 323.353 -1.613 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090795695 776849860 /nfs/dbraw/zinc/84/98/60/776849860.db2.gz YQRFZVUIRPOIBR-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1=O ZINC001090805784 776850387 /nfs/dbraw/zinc/85/03/87/776850387.db2.gz PUXDNRMMKLUGLQ-NXEZZACHSA-N 1 1 312.326 -2.357 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090809063 776853102 /nfs/dbraw/zinc/85/31/02/776853102.db2.gz RCGGDIOPIMPZME-QWRGUYRKSA-N 1 1 320.353 -1.790 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c[nH]1 ZINC001090812464 776853232 /nfs/dbraw/zinc/85/32/32/776853232.db2.gz GNIVVARDGNZLHI-PWSUYJOCSA-N 1 1 310.354 -1.339 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808389 776854278 /nfs/dbraw/zinc/85/42/78/776854278.db2.gz KAIAQBQWWOCYGG-NEPJUHHUSA-N 1 1 309.370 -1.511 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090820232 776856186 /nfs/dbraw/zinc/85/61/86/776856186.db2.gz OWRPTQKYOIRJOD-CHWSQXEVSA-N 1 1 322.365 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001090821244 776856306 /nfs/dbraw/zinc/85/63/06/776856306.db2.gz ZHPLFKBAJLZCDO-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@H](O)C1 ZINC001090821243 776856449 /nfs/dbraw/zinc/85/64/49/776856449.db2.gz ZHPLFKBAJLZCDO-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C(N)=O ZINC001287896129 777884438 /nfs/dbraw/zinc/88/44/38/777884438.db2.gz IMBIFANHCWKZOM-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001288065963 777888478 /nfs/dbraw/zinc/88/84/78/777888478.db2.gz COHYZRISCFHKJB-JTQLQIEISA-N 1 1 311.342 -1.998 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001288065964 777888509 /nfs/dbraw/zinc/88/85/09/777888509.db2.gz COHYZRISCFHKJB-SNVBAGLBSA-N 1 1 311.342 -1.998 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001288096594 777891203 /nfs/dbraw/zinc/89/12/03/777891203.db2.gz XSHPKWCKDRNDCX-KXUCPTDWSA-N 1 1 300.359 -2.253 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)CC[N@H+]1C ZINC001288096602 777891330 /nfs/dbraw/zinc/89/13/30/777891330.db2.gz XSHPKWCKDRNDCX-OPRDCNLKSA-N 1 1 300.359 -2.253 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001288589832 777902229 /nfs/dbraw/zinc/90/22/29/777902229.db2.gz MMDIGTJSOMPQJM-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001289496831 777909785 /nfs/dbraw/zinc/90/97/85/777909785.db2.gz HFDZHDFIXHOYKV-NXEZZACHSA-N 1 1 300.359 -1.846 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)CN(C(=O)C(N)=O)CCO1 ZINC001291749411 777925739 /nfs/dbraw/zinc/92/57/39/777925739.db2.gz DXFOFJHQUZSUKJ-AWEZNQCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001292483599 777932009 /nfs/dbraw/zinc/93/20/09/777932009.db2.gz NARSIWUUHPNUEP-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)CCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001292574977 777936308 /nfs/dbraw/zinc/93/63/08/777936308.db2.gz PQPFAKJJZQDRTC-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)CCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001292574977 777936313 /nfs/dbraw/zinc/93/63/13/777936313.db2.gz PQPFAKJJZQDRTC-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nccnc2N)C1 ZINC001292595421 777937419 /nfs/dbraw/zinc/93/74/19/777937419.db2.gz GVGNJCTZVHJZGD-SNVBAGLBSA-N 1 1 322.369 -1.375 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2nccnc2N)C1 ZINC001292595421 777937424 /nfs/dbraw/zinc/93/74/24/777937424.db2.gz GVGNJCTZVHJZGD-SNVBAGLBSA-N 1 1 322.369 -1.375 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001292608926 777937434 /nfs/dbraw/zinc/93/74/34/777937434.db2.gz SSXPQNVLUCBAJG-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001292608926 777937437 /nfs/dbraw/zinc/93/74/37/777937437.db2.gz SSXPQNVLUCBAJG-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cccc(=O)[nH]2)C1 ZINC001292607550 777937531 /nfs/dbraw/zinc/93/75/31/777937531.db2.gz KNBNFHTZZCEJQI-LLVKDONJSA-N 1 1 308.338 -1.036 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cccc(=O)[nH]2)C1 ZINC001292607550 777937533 /nfs/dbraw/zinc/93/75/33/777937533.db2.gz KNBNFHTZZCEJQI-LLVKDONJSA-N 1 1 308.338 -1.036 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)CN1C(=O)CCC1=O ZINC001292722402 777944976 /nfs/dbraw/zinc/94/49/76/777944976.db2.gz CAQFUGOYQJUGRZ-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001292768254 777946677 /nfs/dbraw/zinc/94/66/77/777946677.db2.gz RYVUNMMGRJVVOC-JTQLQIEISA-N 1 1 305.400 -1.395 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001292769818 777947140 /nfs/dbraw/zinc/94/71/40/777947140.db2.gz KYKYZORMABFYMY-NSHDSACASA-N 1 1 307.354 -1.050 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)C(=O)NCC(F)F)CC[N@H+]1C ZINC001292810179 777948534 /nfs/dbraw/zinc/94/85/34/777948534.db2.gz NXASXCSYMYYMOX-RKDXNWHRSA-N 1 1 320.340 -1.060 20 0 DAADMO Cn1cnn(CC(=O)NCCNC(=O)[C@@H]2CCCC[N@H+]2C)c1=O ZINC001292940394 777955637 /nfs/dbraw/zinc/95/56/37/777955637.db2.gz ZANNTSWWDYNZQA-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)[C@H]1CCNC1=O ZINC001292983628 777956425 /nfs/dbraw/zinc/95/64/25/777956425.db2.gz XKRBOZUCYJFQGS-NSHDSACASA-N 1 1 312.370 -1.923 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001292981089 777957222 /nfs/dbraw/zinc/95/72/22/777957222.db2.gz XYPXQSRESLMXSE-SNVBAGLBSA-N 1 1 324.381 -1.244 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001293468773 777970815 /nfs/dbraw/zinc/97/08/15/777970815.db2.gz ADVRRDCWYFEPAH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001293614209 777973845 /nfs/dbraw/zinc/97/38/45/777973845.db2.gz JGDZSBHFMIYNSE-GHMZBOCLSA-N 1 1 322.369 -1.984 20 0 DAADMO CC(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001294646210 777985839 /nfs/dbraw/zinc/98/58/39/777985839.db2.gz ZEVZEJGYPHKKJT-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1C(=O)CCC1=O ZINC001295496392 778005282 /nfs/dbraw/zinc/00/52/82/778005282.db2.gz GVMAGZJGBXMSPX-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001295634031 778009984 /nfs/dbraw/zinc/00/99/84/778009984.db2.gz PQUVBVRBIMJSPO-VHSXEESVSA-N 1 1 310.358 -2.081 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001295634032 778010003 /nfs/dbraw/zinc/01/00/03/778010003.db2.gz PQUVBVRBIMJSPO-ZJUUUORDSA-N 1 1 310.358 -2.081 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001297092449 778038458 /nfs/dbraw/zinc/03/84/58/778038458.db2.gz SXESAWMJHWBWEN-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)NC(=O)C(N)=O ZINC001297432068 778045834 /nfs/dbraw/zinc/04/58/34/778045834.db2.gz RCCRWNZJUJCAAC-MRVPVSSYSA-N 1 1 311.342 -1.154 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001298186231 778065356 /nfs/dbraw/zinc/06/53/56/778065356.db2.gz GRMRRBVQDPRANV-VHSXEESVSA-N 1 1 314.386 -1.815 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CCNC(N)=O ZINC001298310199 778070882 /nfs/dbraw/zinc/07/08/82/778070882.db2.gz FRLYZQQGESZVQO-OTDNITJGSA-N 1 1 311.386 -1.072 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001298556335 778079874 /nfs/dbraw/zinc/07/98/74/778079874.db2.gz HTDKBKLGMXNEMK-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001298556335 778079882 /nfs/dbraw/zinc/07/98/82/778079882.db2.gz HTDKBKLGMXNEMK-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001298556337 778080500 /nfs/dbraw/zinc/08/05/00/778080500.db2.gz HTDKBKLGMXNEMK-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CC(N)=O)C1 ZINC001298556337 778080510 /nfs/dbraw/zinc/08/05/10/778080510.db2.gz HTDKBKLGMXNEMK-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001298694241 778083816 /nfs/dbraw/zinc/08/38/16/778083816.db2.gz UDLGTUDEGYDDDP-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298781353 778085557 /nfs/dbraw/zinc/08/55/57/778085557.db2.gz PZHQNHXDDBPZRQ-VHSXEESVSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001298855889 778087082 /nfs/dbraw/zinc/08/70/82/778087082.db2.gz NAHSRDTYIGDTHZ-VIFPVBQESA-N 1 1 316.321 -1.013 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)C2 ZINC001298881369 778088643 /nfs/dbraw/zinc/08/86/43/778088643.db2.gz ZCTSBNISUSBMFZ-WPRPVWTQSA-N 1 1 307.354 -1.140 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNC(=O)c1cnccn1 ZINC001302792670 778096057 /nfs/dbraw/zinc/09/60/57/778096057.db2.gz DPQKZMRWHHBPDA-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001302503827 778096698 /nfs/dbraw/zinc/09/66/98/778096698.db2.gz NINFZALSCZTZBL-PELKAZGASA-N 1 1 300.315 -2.558 20 0 DAADMO CN1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC[N@@H+](C)CC1 ZINC001304072352 778099270 /nfs/dbraw/zinc/09/92/70/778099270.db2.gz LZGPDPMPFZGQCH-UHFFFAOYSA-N 1 1 310.358 -1.211 20 0 DAADMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC([NH2+]C3COC3)C2)C1=O ZINC001304207793 778099579 /nfs/dbraw/zinc/09/95/79/778099579.db2.gz FWHOUIDNOUEZET-OAHLLOKOSA-N 1 1 322.365 -1.094 20 0 DAADMO CCCCOCCNC(=O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001307928766 778102081 /nfs/dbraw/zinc/10/20/81/778102081.db2.gz JJTHFASCASBWMK-PHIMTYICSA-N 1 1 314.386 -1.562 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC001307732325 778102280 /nfs/dbraw/zinc/10/22/80/778102280.db2.gz RUHXMMUTRUKKNE-SDBXPKJASA-N 1 1 309.326 -1.399 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)nn1 ZINC001119762478 779511723 /nfs/dbraw/zinc/51/17/23/779511723.db2.gz HPCASIZMTLUTNJ-YGRLFVJLSA-N 1 1 306.370 -1.159 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCOC[C@H]1CCO ZINC001119758880 779511944 /nfs/dbraw/zinc/51/19/44/779511944.db2.gz JYYSHWPXZFVWGQ-WCQYABFASA-N 1 1 311.382 -1.051 20 0 DAADMO CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001119880635 779514378 /nfs/dbraw/zinc/51/43/78/779514378.db2.gz SHBMXNSSPKQLQH-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001119880635 779514386 /nfs/dbraw/zinc/51/43/86/779514386.db2.gz SHBMXNSSPKQLQH-SNVBAGLBSA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)CC[N@@H+](C)CC1)C(=O)N(C)C ZINC001119881629 779514940 /nfs/dbraw/zinc/51/49/40/779514940.db2.gz DTIJJTGRPLLQNT-CYBMUJFWSA-N 1 1 313.446 -1.242 20 0 DAADMO COC1(OC)CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001119906678 779515147 /nfs/dbraw/zinc/51/51/47/779515147.db2.gz FPZVAIUSYKMDQD-LLVKDONJSA-N 1 1 313.354 -1.360 20 0 DAADMO COC1(OC)CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001119906678 779515153 /nfs/dbraw/zinc/51/51/53/779515153.db2.gz FPZVAIUSYKMDQD-LLVKDONJSA-N 1 1 313.354 -1.360 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC001119911140 779515256 /nfs/dbraw/zinc/51/52/56/779515256.db2.gz GIKVFLZTEVRPGW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC001119911140 779515262 /nfs/dbraw/zinc/51/52/62/779515262.db2.gz GIKVFLZTEVRPGW-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001120310438 779517803 /nfs/dbraw/zinc/51/78/03/779517803.db2.gz PJMZDHFYIJWOGP-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001120310437 779517970 /nfs/dbraw/zinc/51/79/70/779517970.db2.gz PJMZDHFYIJWOGP-GHMZBOCLSA-N 1 1 311.386 -1.157 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001120298714 779518018 /nfs/dbraw/zinc/51/80/18/779518018.db2.gz YVINCAGVMWDZHO-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001120298714 779518022 /nfs/dbraw/zinc/51/80/22/779518022.db2.gz YVINCAGVMWDZHO-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(C(=O)N1CC[C@@H](O)[C@@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120373934 779518718 /nfs/dbraw/zinc/51/87/18/779518718.db2.gz OIDFFNNKMSGTKH-WHOHXGKFSA-N 1 1 315.345 -1.805 20 0 DAADMO CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120473866 779522016 /nfs/dbraw/zinc/52/20/16/779522016.db2.gz WLEVMISJCBKGNU-RNJOBUHISA-N 1 1 311.382 -1.100 20 0 DAADMO CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120473864 779522364 /nfs/dbraw/zinc/52/23/64/779522364.db2.gz WLEVMISJCBKGNU-QNWHQSFQSA-N 1 1 311.382 -1.100 20 0 DAADMO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001120456341 779522536 /nfs/dbraw/zinc/52/25/36/779522536.db2.gz UIMJZRWZHYASJM-XUXIUFHCSA-N 1 1 324.425 -1.103 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001120514990 779523164 /nfs/dbraw/zinc/52/31/64/779523164.db2.gz MBGXGEVKWUQCCG-STQMWFEESA-N 1 1 311.430 -1.454 20 0 DAADMO C[C@H]1CN(CC[NH2+]C[C@H](O)CN2CCN(C)CC2)CCO1 ZINC001120573939 779524721 /nfs/dbraw/zinc/52/47/21/779524721.db2.gz JPZPAAOPWHMRHA-GJZGRUSLSA-N 1 1 300.447 -1.095 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCCNS(C)(=O)=O)CC1 ZINC001120574177 779525581 /nfs/dbraw/zinc/52/55/81/779525581.db2.gz WEBAXACHAINVKP-LBPRGKRZSA-N 1 1 308.448 -1.876 20 0 DAADMO Cn1nnc(C[NH2+]C2CC3(CC(NC(=O)CNC(N)=O)C3)C2)n1 ZINC001120606120 779526286 /nfs/dbraw/zinc/52/62/86/779526286.db2.gz HMPFFHPWLFHTSJ-UHFFFAOYSA-N 1 1 322.373 -1.605 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001121025233 779529447 /nfs/dbraw/zinc/52/94/47/779529447.db2.gz QZOCHLJUGMUZFP-SNVBAGLBSA-N 1 1 306.330 -1.331 20 0 DAADMO CCc1nc(N[C@@H](CO)CNC(=O)Cn2cnnn2)cc(C)[nH+]1 ZINC001121025820 779529592 /nfs/dbraw/zinc/52/95/92/779529592.db2.gz UPLVYMSNMOLKGX-SNVBAGLBSA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1c(NC(=O)C(=O)N2CCN(C)CC[N@H+](C)CC2)nnn1C ZINC001121124193 779531663 /nfs/dbraw/zinc/53/16/63/779531663.db2.gz BXUNLXMLDQUVQS-UHFFFAOYSA-N 1 1 323.401 -1.232 20 0 DAADMO Cc1c(NC(=O)C(=O)N2CCN(C)CC[N@@H+](C)CC2)nnn1C ZINC001121124193 779531667 /nfs/dbraw/zinc/53/16/67/779531667.db2.gz BXUNLXMLDQUVQS-UHFFFAOYSA-N 1 1 323.401 -1.232 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2nccnc2F)C1 ZINC001121248457 779535073 /nfs/dbraw/zinc/53/50/73/779535073.db2.gz BQQMAQZMJANDMP-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2nccnc2F)C1 ZINC001121248457 779535077 /nfs/dbraw/zinc/53/50/77/779535077.db2.gz BQQMAQZMJANDMP-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248945 779535409 /nfs/dbraw/zinc/53/54/09/779535409.db2.gz GKEKRKKAYDJBIN-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cnc(F)cn2)C1 ZINC001121248945 779535416 /nfs/dbraw/zinc/53/54/16/779535416.db2.gz GKEKRKKAYDJBIN-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001121669544 779547398 /nfs/dbraw/zinc/54/73/98/779547398.db2.gz POSBFRQFLQPWOM-JTQLQIEISA-N 1 1 322.373 -1.252 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001121887883 779550619 /nfs/dbraw/zinc/55/06/19/779550619.db2.gz MDKOBJRQOPHBCY-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)Nc1ccc2nnnn2n1 ZINC001122026089 779552785 /nfs/dbraw/zinc/55/27/85/779552785.db2.gz AJKNRSCQNOXBMJ-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO CN1C[C@H](C(=O)NCCCCC[NH+]2CCNCC2)NCC1=O ZINC001122194821 779557912 /nfs/dbraw/zinc/55/79/12/779557912.db2.gz KXNGMJUXQISTSD-CYBMUJFWSA-N 1 1 311.430 -1.392 20 0 DAADMO O=C(CN1CCNCC1=O)NCCCCC[NH+]1CCNCC1 ZINC001122195982 779558042 /nfs/dbraw/zinc/55/80/42/779558042.db2.gz RGXYLBLDGJTKNS-UHFFFAOYSA-N 1 1 311.430 -1.390 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001149095362 779559452 /nfs/dbraw/zinc/55/94/52/779559452.db2.gz YVHMEZKWNNGSNJ-DTWKUNHWSA-N 1 1 312.378 -1.186 20 0 DAADMO Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001122438705 779565989 /nfs/dbraw/zinc/56/59/89/779565989.db2.gz WWLMJRVUVCUPIZ-QWRGUYRKSA-N 1 1 322.369 -1.028 20 0 DAADMO CCc1nc(N[C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001122438198 779566204 /nfs/dbraw/zinc/56/62/04/779566204.db2.gz PBLSVRQRCHLIEA-VHSXEESVSA-N 1 1 322.369 -1.082 20 0 DAADMO Cn1ncc2c1nc(C[NH2+]CCNC(=O)CNC(N)=O)[nH]c2=O ZINC001123235086 779578328 /nfs/dbraw/zinc/57/83/28/779578328.db2.gz FXQALYMIUAVFAV-UHFFFAOYSA-N 1 1 322.329 -2.057 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CNC(N)=O)nnc1C1CCC1 ZINC001123234800 779578565 /nfs/dbraw/zinc/57/85/65/779578565.db2.gz BEDHHEPYTBTWDO-UHFFFAOYSA-N 1 1 309.374 -1.043 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001123236071 779579451 /nfs/dbraw/zinc/57/94/51/779579451.db2.gz WTMBTTCCNCRDIL-NSHDSACASA-N 1 1 311.317 -1.274 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1cnnn1)c1nnnn1C1CC1 ZINC001123312224 779580973 /nfs/dbraw/zinc/58/09/73/779580973.db2.gz AXMYZKQBECLUBB-MRVPVSSYSA-N 1 1 306.334 -1.539 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)Cn2cnnn2)n1C ZINC001123306636 779581180 /nfs/dbraw/zinc/58/11/80/779581180.db2.gz WTQGVVBEYXBZEG-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1noc2c1COCC2 ZINC001123328020 779582673 /nfs/dbraw/zinc/58/26/73/779582673.db2.gz YYIXRTSRAXYHNB-UHFFFAOYSA-N 1 1 307.314 -1.360 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CCn1cncn1 ZINC001123676412 779585206 /nfs/dbraw/zinc/58/52/06/779585206.db2.gz MSHPZXWWFKEPAR-UHFFFAOYSA-N 1 1 307.362 -1.029 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNC(=O)c1cnccn1 ZINC001123825142 779587147 /nfs/dbraw/zinc/58/71/47/779587147.db2.gz KQAMJWZJRKTWPW-DGCLKSJQSA-N 1 1 318.381 -1.289 20 0 DAADMO COC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001124186684 779592053 /nfs/dbraw/zinc/59/20/53/779592053.db2.gz NZAZEPLWPOPTMT-UHFFFAOYSA-N 1 1 302.310 -1.191 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124660758 779599028 /nfs/dbraw/zinc/59/90/28/779599028.db2.gz APYCOXNVHVAMBK-NXEZZACHSA-N 1 1 323.353 -1.177 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124660760 779599728 /nfs/dbraw/zinc/59/97/28/779599728.db2.gz APYCOXNVHVAMBK-UWVGGRQHSA-N 1 1 323.353 -1.177 20 0 DAADMO COCc1noc(CNCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125213599 779607604 /nfs/dbraw/zinc/60/76/04/779607604.db2.gz IINQHKKDKINFDU-SNVBAGLBSA-N 1 1 313.358 -1.248 20 0 DAADMO COCc1noc(CNCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125213599 779607609 /nfs/dbraw/zinc/60/76/09/779607609.db2.gz IINQHKKDKINFDU-SNVBAGLBSA-N 1 1 313.358 -1.248 20 0 DAADMO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206726829 779612553 /nfs/dbraw/zinc/61/25/53/779612553.db2.gz VLEFETXLNSSEJZ-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206726829 779612556 /nfs/dbraw/zinc/61/25/56/779612556.db2.gz VLEFETXLNSSEJZ-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001139759833 779613426 /nfs/dbraw/zinc/61/34/26/779613426.db2.gz TYFYKGBDSXESNV-FZQKWOKYSA-N 1 1 310.354 -1.358 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CC1C(=O)N=CNC1=O)C2 ZINC001140470683 779615681 /nfs/dbraw/zinc/61/56/81/779615681.db2.gz VMESETBZLBNNFR-CQSZACIVSA-N 1 1 321.337 -1.189 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 ZINC001203115214 779618614 /nfs/dbraw/zinc/61/86/14/779618614.db2.gz SSYCJZBHVZSFKI-IUCAKERBSA-N 1 1 321.341 -1.370 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1CC(=O)NC1=O ZINC001142096862 779619681 /nfs/dbraw/zinc/61/96/81/779619681.db2.gz JYKIENWDOYHFHK-VIFPVBQESA-N 1 1 323.309 -1.448 20 0 DAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)Cn1cnnn1)CC2 ZINC001142135743 779621020 /nfs/dbraw/zinc/62/10/20/779621020.db2.gz NILJARCDPXBCQR-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO Cc1cn(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(=O)[nH]c1=O ZINC001142322168 779621468 /nfs/dbraw/zinc/62/14/68/779621468.db2.gz PLHYYSAJVBOWRV-UTLUCORTSA-N 1 1 309.330 -3.224 20 0 DAADMO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142635596 779622703 /nfs/dbraw/zinc/62/27/03/779622703.db2.gz OWODORVXTVIHOI-KXEMTNKZSA-N 1 1 316.354 -2.613 20 0 DAADMO CC(=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001142703300 779622742 /nfs/dbraw/zinc/62/27/42/779622742.db2.gz LQOSMGSVIWKDAE-QWRGUYRKSA-N 1 1 321.337 -1.498 20 0 DAADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 ZINC001142932749 779625655 /nfs/dbraw/zinc/62/56/55/779625655.db2.gz ZEDGPGOQRZJLRZ-CQSZACIVSA-N 1 1 312.370 -1.841 20 0 DAADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C(N)=O)C2)C1 ZINC001142932749 779625674 /nfs/dbraw/zinc/62/56/74/779625674.db2.gz ZEDGPGOQRZJLRZ-CQSZACIVSA-N 1 1 312.370 -1.841 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC(=O)N(C3CC3)C(=O)C2)CC1 ZINC001143225251 779626579 /nfs/dbraw/zinc/62/65/79/779626579.db2.gz WQKUMVLAHBBKAV-UHFFFAOYSA-N 1 1 308.382 -1.016 20 0 DAADMO COC(=O)CN1CCN(C(=O)CCN2CC[NH+](C)CC2)CC1 ZINC001143230456 779627239 /nfs/dbraw/zinc/62/72/39/779627239.db2.gz JAFJKJDFZSFEFK-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC(N3CCNC(=O)C3)C2)CC1 ZINC001143230062 779627334 /nfs/dbraw/zinc/62/73/34/779627334.db2.gz CHOSJSYVEKELDY-UHFFFAOYSA-N 1 1 309.414 -1.734 20 0 DAADMO C[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001143236271 779627382 /nfs/dbraw/zinc/62/73/82/779627382.db2.gz CRYIGLBXFIQUEE-OXHZDVMGSA-N 1 1 301.387 -2.157 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cnc(N)n1 ZINC001143294038 779628536 /nfs/dbraw/zinc/62/85/36/779628536.db2.gz VIWSCJSKSHTEAX-NSHDSACASA-N 1 1 323.401 -1.081 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cnc(N)n1 ZINC001143294037 779628617 /nfs/dbraw/zinc/62/86/17/779628617.db2.gz VIWSCJSKSHTEAX-LLVKDONJSA-N 1 1 323.401 -1.081 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CC3)[C@@H]2NCN[C@H]21 ZINC001149344378 779630088 /nfs/dbraw/zinc/63/00/88/779630088.db2.gz ZYWVVVLQKZBXQO-MJBXVCDLSA-N 1 1 316.365 -1.296 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CS(=O)(=O)N(C)C)c1nnnn1C ZINC001149431693 779630315 /nfs/dbraw/zinc/63/03/15/779630315.db2.gz AYXMKTVTFYIXGS-MRVPVSSYSA-N 1 1 319.391 -2.132 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)nn1 ZINC001149447260 779631037 /nfs/dbraw/zinc/63/10/37/779631037.db2.gz GDIQMSGGIRLSGS-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001149433001 779631534 /nfs/dbraw/zinc/63/15/34/779631534.db2.gz PNTQNJZKWDDWNU-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149473303 779632453 /nfs/dbraw/zinc/63/24/53/779632453.db2.gz KSQQJTNNKYFLNM-QWRGUYRKSA-N 1 1 303.359 -1.924 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCCO1 ZINC001149466503 779632519 /nfs/dbraw/zinc/63/25/19/779632519.db2.gz VMLSZBSSIBUFEK-QWRGUYRKSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCCO1 ZINC001149466503 779632524 /nfs/dbraw/zinc/63/25/24/779632524.db2.gz VMLSZBSSIBUFEK-QWRGUYRKSA-N 1 1 312.370 -1.653 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466698 779632831 /nfs/dbraw/zinc/63/28/31/779632831.db2.gz YFAJCFGROZYSSV-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149466698 779632833 /nfs/dbraw/zinc/63/28/33/779632833.db2.gz YFAJCFGROZYSSV-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488615 779633686 /nfs/dbraw/zinc/63/36/86/779633686.db2.gz BOUBEHMTLIVKOI-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCO[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001149488615 779633689 /nfs/dbraw/zinc/63/36/89/779633689.db2.gz BOUBEHMTLIVKOI-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)=O)CCO2)nn1 ZINC001149529592 779633798 /nfs/dbraw/zinc/63/37/98/779633798.db2.gz ASSPVMNQSIGPLH-CYBMUJFWSA-N 1 1 324.385 -1.249 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149489310 779634537 /nfs/dbraw/zinc/63/45/37/779634537.db2.gz ILBSQNZMPUEJOR-UWVGGRQHSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149489310 779634539 /nfs/dbraw/zinc/63/45/39/779634539.db2.gz ILBSQNZMPUEJOR-UWVGGRQHSA-N 1 1 300.359 -1.667 20 0 DAADMO O=C(CN1CN=NC1=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149565441 779635394 /nfs/dbraw/zinc/63/53/94/779635394.db2.gz CTYDKDGHLWRETJ-LLVKDONJSA-N 1 1 313.358 -1.427 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001149546857 779635877 /nfs/dbraw/zinc/63/58/77/779635877.db2.gz UUCSLRCUIOGWTP-SNVBAGLBSA-N 1 1 311.346 -2.337 20 0 DAADMO O=C(CN1CN=NC1=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149565444 779636127 /nfs/dbraw/zinc/63/61/27/779636127.db2.gz CTYDKDGHLWRETJ-NSHDSACASA-N 1 1 313.358 -1.427 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149566865 779636217 /nfs/dbraw/zinc/63/62/17/779636217.db2.gz PIMRIFMSMHLZJX-LLVKDONJSA-N 1 1 313.358 -1.163 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001149547149 779636315 /nfs/dbraw/zinc/63/63/15/779636315.db2.gz ZVYLCBZFYVNFPZ-CYBMUJFWSA-N 1 1 309.370 -1.127 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149566867 779636324 /nfs/dbraw/zinc/63/63/24/779636324.db2.gz PIMRIFMSMHLZJX-NSHDSACASA-N 1 1 313.358 -1.163 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001149580342 779636874 /nfs/dbraw/zinc/63/68/74/779636874.db2.gz STUNSUYZOLRTMK-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001149598480 779637243 /nfs/dbraw/zinc/63/72/43/779637243.db2.gz AJUQAWSTYGEGQO-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001149598480 779637248 /nfs/dbraw/zinc/63/72/48/779637248.db2.gz AJUQAWSTYGEGQO-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149614700 779638889 /nfs/dbraw/zinc/63/88/89/779638889.db2.gz FWBSGIPQDBNAKE-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149614700 779638891 /nfs/dbraw/zinc/63/88/91/779638891.db2.gz FWBSGIPQDBNAKE-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149599649 779639000 /nfs/dbraw/zinc/63/90/00/779639000.db2.gz KMYKKGDIVAVUNU-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149599649 779639002 /nfs/dbraw/zinc/63/90/02/779639002.db2.gz KMYKKGDIVAVUNU-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149738979 779640201 /nfs/dbraw/zinc/64/02/01/779640201.db2.gz HEXNNIPXMRKYIY-LLVKDONJSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149738645 779641028 /nfs/dbraw/zinc/64/10/28/779641028.db2.gz GJGZNOCWDZINHH-QWRGUYRKSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149738645 779641032 /nfs/dbraw/zinc/64/10/32/779641032.db2.gz GJGZNOCWDZINHH-QWRGUYRKSA-N 1 1 323.357 -2.231 20 0 DAADMO COC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738622 779641243 /nfs/dbraw/zinc/64/12/43/779641243.db2.gz FRGMDRRBYJWURL-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149721679 779641286 /nfs/dbraw/zinc/64/12/86/779641286.db2.gz PJHNWUUTRWQURS-STQMWFEESA-N 1 1 302.371 -1.009 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149816457 779642228 /nfs/dbraw/zinc/64/22/28/779642228.db2.gz AXLXUIOGEQXEPF-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795555 779642289 /nfs/dbraw/zinc/64/22/89/779642289.db2.gz DARIPZOPVPHBFL-QWRGUYRKSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795555 779642291 /nfs/dbraw/zinc/64/22/91/779642291.db2.gz DARIPZOPVPHBFL-QWRGUYRKSA-N 1 1 310.358 -1.641 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149796511 779642389 /nfs/dbraw/zinc/64/23/89/779642389.db2.gz MBMQXTRDIUPEJF-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149796511 779642392 /nfs/dbraw/zinc/64/23/92/779642392.db2.gz MBMQXTRDIUPEJF-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149804599 779642805 /nfs/dbraw/zinc/64/28/05/779642805.db2.gz RUYCQMMONKRRQM-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001149817076 779642933 /nfs/dbraw/zinc/64/29/33/779642933.db2.gz LFOCNPYOUWAKHX-NSHDSACASA-N 1 1 302.375 -1.495 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001149817158 779643246 /nfs/dbraw/zinc/64/32/46/779643246.db2.gz NIDBABCGYCLISP-LBPRGKRZSA-N 1 1 324.381 -1.226 20 0 DAADMO Cn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c2ccccc21 ZINC001149794824 779643412 /nfs/dbraw/zinc/64/34/12/779643412.db2.gz IOLOTYMYBZLMGI-AVGNSLFASA-N 1 1 301.354 -1.294 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[NH2+]Cc3nnnn3C)nn21 ZINC001149859056 779644063 /nfs/dbraw/zinc/64/40/63/779644063.db2.gz LMGUNFNHVKZSDP-UHFFFAOYSA-N 1 1 316.329 -1.524 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CNC(=O)c1ccco1)c1nnnn1C ZINC001149883359 779644095 /nfs/dbraw/zinc/64/40/95/779644095.db2.gz ATHYKOWKTKLRNC-VIFPVBQESA-N 1 1 321.341 -1.000 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149946961 779646187 /nfs/dbraw/zinc/64/61/87/779646187.db2.gz RPYKKLMHBVAILL-GFCCVEGCSA-N 1 1 314.386 -1.399 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001149930709 779646798 /nfs/dbraw/zinc/64/67/98/779646798.db2.gz RTVIPKPCYGLPJE-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)ccc1=O ZINC001150149987 779648765 /nfs/dbraw/zinc/64/87/65/779648765.db2.gz HNIBKRNVPWVAMM-UHFFFAOYSA-N 1 1 318.341 -1.379 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212202 779648893 /nfs/dbraw/zinc/64/88/93/779648893.db2.gz PGSMRSNOEMVCRQ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212202 779648897 /nfs/dbraw/zinc/64/88/97/779648897.db2.gz PGSMRSNOEMVCRQ-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150211478 779649060 /nfs/dbraw/zinc/64/90/60/779649060.db2.gz JICWWWDNPQBDFL-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150211478 779649066 /nfs/dbraw/zinc/64/90/66/779649066.db2.gz JICWWWDNPQBDFL-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150202987 779649691 /nfs/dbraw/zinc/64/96/91/779649691.db2.gz KFWSTQLKXOAFQD-NSHDSACASA-N 1 1 323.415 -1.746 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213418 779650575 /nfs/dbraw/zinc/65/05/75/779650575.db2.gz ZMVBNHTVKNNBLL-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150213418 779650577 /nfs/dbraw/zinc/65/05/77/779650577.db2.gz ZMVBNHTVKNNBLL-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO Cc1cc(C[N@@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)ncn1 ZINC001150220310 779650856 /nfs/dbraw/zinc/65/08/56/779650856.db2.gz VTBGMJWAKYTUBM-GFCCVEGCSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1cc(C[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)ncn1 ZINC001150220310 779650860 /nfs/dbraw/zinc/65/08/60/779650860.db2.gz VTBGMJWAKYTUBM-GFCCVEGCSA-N 1 1 307.354 -1.023 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232454 779651131 /nfs/dbraw/zinc/65/11/31/779651131.db2.gz FACUMIIPYQCEON-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232454 779651136 /nfs/dbraw/zinc/65/11/36/779651136.db2.gz FACUMIIPYQCEON-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCCO1 ZINC001150220581 779651451 /nfs/dbraw/zinc/65/14/51/779651451.db2.gz XTHHOZYZTUGYAN-MNOVXSKESA-N 1 1 322.369 -1.542 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150244095 779652438 /nfs/dbraw/zinc/65/24/38/779652438.db2.gz VEJMHLTXCPDOBH-UHFFFAOYSA-N 1 1 307.362 -1.029 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC001150330383 779653548 /nfs/dbraw/zinc/65/35/48/779653548.db2.gz ACJXPEAPZUEOSX-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150330716 779653817 /nfs/dbraw/zinc/65/38/17/779653817.db2.gz CFVKIZVYSOXPDJ-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O)c1nncn1C ZINC001150331216 779654077 /nfs/dbraw/zinc/65/40/77/779654077.db2.gz IWRZPYJXOUOMOY-VIFPVBQESA-N 1 1 323.357 -1.524 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1ncccn1 ZINC001150339001 779654093 /nfs/dbraw/zinc/65/40/93/779654093.db2.gz JIAQLNNJWYAXFQ-SECBINFHSA-N 1 1 306.326 -1.205 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC001150349917 779654765 /nfs/dbraw/zinc/65/47/65/779654765.db2.gz MOHMVRRVBWSJRC-QMMMGPOBSA-N 1 1 323.357 -1.226 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344665 779655031 /nfs/dbraw/zinc/65/50/31/779655031.db2.gz HCQIMYHMATWDCY-UHFFFAOYSA-N 1 1 308.342 -1.339 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001150339283 779655040 /nfs/dbraw/zinc/65/50/40/779655040.db2.gz NFGVZHUQZLMJEH-UHFFFAOYSA-N 1 1 320.353 -1.413 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)n1C ZINC001150344376 779655301 /nfs/dbraw/zinc/65/53/01/779655301.db2.gz ALMOAXHWCRKNAM-UHFFFAOYSA-N 1 1 323.357 -1.865 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001150349823 779655306 /nfs/dbraw/zinc/65/53/06/779655306.db2.gz IZVQXQDKEURSDR-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)nn1 ZINC001150350119 779655409 /nfs/dbraw/zinc/65/54/09/779655409.db2.gz XQCQIMFYNACRSE-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150344669 779655439 /nfs/dbraw/zinc/65/54/39/779655439.db2.gz HGKVNOUZEQZOHP-UHFFFAOYSA-N 1 1 324.345 -1.988 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O)c1nncn1C ZINC001150398777 779656171 /nfs/dbraw/zinc/65/61/71/779656171.db2.gz AURPXIJARNXDBD-RKDXNWHRSA-N 1 1 323.357 -1.430 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O)c1nncn1C ZINC001150398774 779656405 /nfs/dbraw/zinc/65/64/05/779656405.db2.gz AURPXIJARNXDBD-DTWKUNHWSA-N 1 1 323.357 -1.430 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)n1 ZINC001150400745 779656658 /nfs/dbraw/zinc/65/66/58/779656658.db2.gz QYBIBVDRFUNASB-JTQLQIEISA-N 1 1 308.342 -1.386 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O)c1nnnn1C ZINC001150399015 779656791 /nfs/dbraw/zinc/65/67/91/779656791.db2.gz DTQOAVOXVSKKRW-HTQZYQBOSA-N 1 1 324.345 -2.035 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)nn1 ZINC001150450111 779659205 /nfs/dbraw/zinc/65/92/05/779659205.db2.gz DGHZFQBEJQIKRD-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150467352 779660092 /nfs/dbraw/zinc/66/00/92/779660092.db2.gz RJBJUMRQRVQWMG-UHFFFAOYSA-N 1 1 323.357 -1.562 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001150472615 779660631 /nfs/dbraw/zinc/66/06/31/779660631.db2.gz KSRBTYHJLANFGT-UHFFFAOYSA-N 1 1 321.341 -1.637 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001150461563 779660656 /nfs/dbraw/zinc/66/06/56/779660656.db2.gz GHBBUYNTXIQQKA-QWRGUYRKSA-N 1 1 314.342 -1.102 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001150461562 779660856 /nfs/dbraw/zinc/66/08/56/779660856.db2.gz GHBBUYNTXIQQKA-MNOVXSKESA-N 1 1 314.342 -1.102 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150498133 779661649 /nfs/dbraw/zinc/66/16/49/779661649.db2.gz LSGOQPLHQZFOSX-LBPRGKRZSA-N 1 1 312.374 -1.347 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCCN1C(=O)CNC1=O ZINC001150533488 779661702 /nfs/dbraw/zinc/66/17/02/779661702.db2.gz VRBUORQRVOJSOP-UHFFFAOYSA-N 1 1 323.357 -1.647 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150519509 779661817 /nfs/dbraw/zinc/66/18/17/779661817.db2.gz XGDBEIDZHZBKQJ-ZDUSSCGKSA-N 1 1 324.381 -1.167 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150519507 779661844 /nfs/dbraw/zinc/66/18/44/779661844.db2.gz XGDBEIDZHZBKQJ-CYBMUJFWSA-N 1 1 324.381 -1.167 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691441 779664799 /nfs/dbraw/zinc/66/47/99/779664799.db2.gz CUDWHKNNHIYVBU-UWVGGRQHSA-N 1 1 315.374 -1.874 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691441 779664802 /nfs/dbraw/zinc/66/48/02/779664802.db2.gz CUDWHKNNHIYVBU-UWVGGRQHSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150678703 779664871 /nfs/dbraw/zinc/66/48/71/779664871.db2.gz NAODCYZVNRYROZ-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150678703 779664874 /nfs/dbraw/zinc/66/48/74/779664874.db2.gz NAODCYZVNRYROZ-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699821 779665222 /nfs/dbraw/zinc/66/52/22/779665222.db2.gz NYCJXVDRISIDRJ-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699821 779665228 /nfs/dbraw/zinc/66/52/28/779665228.db2.gz NYCJXVDRISIDRJ-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150677423 779665412 /nfs/dbraw/zinc/66/54/12/779665412.db2.gz FMJIHJSFQGXFGH-QWRGUYRKSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150677423 779665414 /nfs/dbraw/zinc/66/54/14/779665414.db2.gz FMJIHJSFQGXFGH-QWRGUYRKSA-N 1 1 310.358 -1.641 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc2n1 ZINC001150721974 779666110 /nfs/dbraw/zinc/66/61/10/779666110.db2.gz RXMYKPFCALYLHD-ATZCPNFKSA-N 1 1 317.357 -2.126 20 0 DAADMO O=C(Cn1ccnc1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150825583 779666127 /nfs/dbraw/zinc/66/61/27/779666127.db2.gz VJIRMGXGHIXPJE-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(Cn1ccnc1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150825583 779666134 /nfs/dbraw/zinc/66/61/34/779666134.db2.gz VJIRMGXGHIXPJE-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3ccccc3oc2=O)[C@H]2NCN[C@H]21 ZINC001150960295 779667855 /nfs/dbraw/zinc/66/78/55/779667855.db2.gz YHXYVJNNEIOTPC-YNEHKIRRSA-N 1 1 315.333 -1.074 20 0 DAADMO CCn1nc2c(c1C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)CCCC2 ZINC001150854844 779667863 /nfs/dbraw/zinc/66/78/63/779667863.db2.gz KBHFOHPKEMXLMZ-KWCYVHTRSA-N 1 1 319.413 -1.086 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3ccccc3oc2=O)[C@H]2NCN[C@@H]21 ZINC001150960292 779668196 /nfs/dbraw/zinc/66/81/96/779668196.db2.gz YHXYVJNNEIOTPC-JHJVBQTASA-N 1 1 315.333 -1.074 20 0 DAADMO COCCC1(NC(=O)CNC(N)=O)CC[NH+](CC(N)=O)CC1 ZINC001150937395 779668405 /nfs/dbraw/zinc/66/84/05/779668405.db2.gz CBEGQUQMEXYXFV-UHFFFAOYSA-N 1 1 315.374 -1.873 20 0 DAADMO Cc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cn2c1 ZINC001150893917 779668472 /nfs/dbraw/zinc/66/84/72/779668472.db2.gz ZQZHCTFEMRLSFI-AGIUHOORSA-N 1 1 301.354 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNCc2nnc3n2CCOC3)C1 ZINC001151049478 779668920 /nfs/dbraw/zinc/66/89/20/779668920.db2.gz QBWPMLDWBAZSDZ-LLVKDONJSA-N 1 1 308.386 -1.034 20 0 DAADMO COCCC1(NC(=O)CC(N)=O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001151037791 779669085 /nfs/dbraw/zinc/66/90/85/779669085.db2.gz VGEQJPMWKFBXTR-JTQLQIEISA-N 1 1 314.386 -1.277 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)nn1 ZINC001150978431 779669362 /nfs/dbraw/zinc/66/93/62/779669362.db2.gz SVZLWEOHMPOGED-UHFFFAOYSA-N 1 1 307.314 -1.866 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001151049809 779670450 /nfs/dbraw/zinc/67/04/50/779670450.db2.gz ZKABORUWFRAGSY-NSHDSACASA-N 1 1 311.386 -2.398 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001151049809 779670453 /nfs/dbraw/zinc/67/04/53/779670453.db2.gz ZKABORUWFRAGSY-NSHDSACASA-N 1 1 311.386 -2.398 20 0 DAADMO Cc1noc2nc(C)cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c12 ZINC001151053707 779671086 /nfs/dbraw/zinc/67/10/86/779671086.db2.gz KOCVUTSDEFOKBW-WOPDTQHZSA-N 1 1 317.353 -1.028 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@@H]2NCN[C@H]21 ZINC001151067732 779671871 /nfs/dbraw/zinc/67/18/71/779671871.db2.gz ZRRIPVOOQGNDBB-TUAOUCFPSA-N 1 1 304.354 -1.591 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001151159815 779673091 /nfs/dbraw/zinc/67/30/91/779673091.db2.gz ULXDWQXIBZPWHJ-CYBMUJFWSA-N 1 1 310.402 -1.048 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CCOCCO ZINC001151157927 779673621 /nfs/dbraw/zinc/67/36/21/779673621.db2.gz NBICTCDWSXPRCD-ZDUSSCGKSA-N 1 1 303.403 -1.331 20 0 DAADMO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1)C(N)=O ZINC001151156742 779673669 /nfs/dbraw/zinc/67/36/69/779673669.db2.gz GTCNBYDDEIYYFL-NWDGAFQWSA-N 1 1 300.403 -1.076 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)s1 ZINC001151299245 779674399 /nfs/dbraw/zinc/67/43/99/779674399.db2.gz CBZQDBMFDSAFOL-QMMMGPOBSA-N 1 1 319.412 -1.256 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nncn1C ZINC001151299859 779674484 /nfs/dbraw/zinc/67/44/84/779674484.db2.gz HPKHCTPIHJWENL-DTWKUNHWSA-N 1 1 316.387 -1.726 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151293463 779674513 /nfs/dbraw/zinc/67/45/13/779674513.db2.gz SLDBJOGCGOJEQM-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001151299590 779674861 /nfs/dbraw/zinc/67/48/61/779674861.db2.gz FGCZPIUKVQYFSY-JTQLQIEISA-N 1 1 301.372 -1.682 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cncc(C(N)=O)c1 ZINC001151292162 779674886 /nfs/dbraw/zinc/67/48/86/779674886.db2.gz DDRXKBMEWZDMHU-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)no1 ZINC001151300700 779675379 /nfs/dbraw/zinc/67/53/79/779675379.db2.gz OGCKQOFATPYZNG-SNVBAGLBSA-N 1 1 302.356 -1.119 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151301418 779675433 /nfs/dbraw/zinc/67/54/33/779675433.db2.gz UBIKIYSXXGALDT-VIFPVBQESA-N 1 1 301.372 -1.682 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300165 779675600 /nfs/dbraw/zinc/67/56/00/779675600.db2.gz KPMJUADRWVOTIZ-QMMMGPOBSA-N 1 1 302.360 -2.287 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151302171 779675917 /nfs/dbraw/zinc/67/59/17/779675917.db2.gz ZFTFZFKBQKVSSV-SSDOTTSWSA-N 1 1 303.348 -2.892 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H]2NCN[C@H]21 ZINC001151353731 779677027 /nfs/dbraw/zinc/67/70/27/779677027.db2.gz PPAHVMSRTUJYCK-XQQFMLRXSA-N 1 1 318.337 -1.850 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001151379591 779678428 /nfs/dbraw/zinc/67/84/28/779678428.db2.gz LEDDICUKSZIUPT-QMMMGPOBSA-N 1 1 304.376 -1.869 20 0 DAADMO Cn1cc2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2n1 ZINC001151521542 779679192 /nfs/dbraw/zinc/67/91/92/779679192.db2.gz DBMHETHDMMGRMK-RWMBFGLXSA-N 1 1 301.354 -1.294 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ncnc3ccsc32)[C@@H]2NCN[C@H]21 ZINC001151539515 779679205 /nfs/dbraw/zinc/67/92/05/779679205.db2.gz SNPAIZCBZBEEOG-GDPRMGEGSA-N 1 1 305.367 -1.176 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCS1(=O)=O ZINC001151672674 779680547 /nfs/dbraw/zinc/68/05/47/779680547.db2.gz FMPULWSSZNEMCF-SECBINFHSA-N 1 1 301.372 -1.402 20 0 DAADMO COc1cc2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)[nH]c2cn1 ZINC001151646403 779680758 /nfs/dbraw/zinc/68/07/58/779680758.db2.gz ORWNWSSSZBRGOB-AGIUHOORSA-N 1 1 317.353 -1.296 20 0 DAADMO COc1ccc2[nH]c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2n1 ZINC001151626006 779680941 /nfs/dbraw/zinc/68/09/41/779680941.db2.gz ZHMXVDFIHRYOQW-RWMBFGLXSA-N 1 1 317.353 -1.296 20 0 DAADMO COc1ccc2[nH]c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2n1 ZINC001151626003 779681117 /nfs/dbraw/zinc/68/11/17/779681117.db2.gz ZHMXVDFIHRYOQW-AGIUHOORSA-N 1 1 317.353 -1.296 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001151672684 779681324 /nfs/dbraw/zinc/68/13/24/779681324.db2.gz FMPULWSSZNEMCF-VIFPVBQESA-N 1 1 301.372 -1.402 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151588213 779681331 /nfs/dbraw/zinc/68/13/31/779681331.db2.gz YDVAONVKKSJNEV-GFCCVEGCSA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001151588164 779681387 /nfs/dbraw/zinc/68/13/87/779681387.db2.gz WZQVEWMCQWHUJN-PWSUYJOCSA-N 1 1 324.385 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1nc(C2CC2)nn1C ZINC001151723833 779681832 /nfs/dbraw/zinc/68/18/32/779681832.db2.gz YFQBIQNDZDKYKG-UHFFFAOYSA-N 1 1 319.373 -1.336 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814170 779683787 /nfs/dbraw/zinc/68/37/87/779683787.db2.gz SPYVQCAIOQRCNK-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814170 779683790 /nfs/dbraw/zinc/68/37/90/779683790.db2.gz SPYVQCAIOQRCNK-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814277 779684262 /nfs/dbraw/zinc/68/42/62/779684262.db2.gz VQLGKKBYXSMXPC-MNOVXSKESA-N 1 1 300.363 -1.493 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccc3[nH]c2=O)[C@@H]2NCN[C@H]21 ZINC001151864385 779685202 /nfs/dbraw/zinc/68/52/02/779685202.db2.gz ZHVGBAZHJLTYFZ-WCQGTBRESA-N 1 1 315.337 -1.944 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001151997316 779685401 /nfs/dbraw/zinc/68/54/01/779685401.db2.gz TZAYRUBSXOYCNL-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001151997316 779685405 /nfs/dbraw/zinc/68/54/05/779685405.db2.gz TZAYRUBSXOYCNL-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cccnc1C(N)=O ZINC001151958443 779685871 /nfs/dbraw/zinc/68/58/71/779685871.db2.gz HVEFGKFPNSMSMT-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152149073 779686822 /nfs/dbraw/zinc/68/68/22/779686822.db2.gz UGLRCBQBZWVDIW-SECBINFHSA-N 1 1 305.346 -1.730 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1nccn1C ZINC001152097024 779687393 /nfs/dbraw/zinc/68/73/93/779687393.db2.gz GOFXCMVQTWZKME-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1CCCCC1=O ZINC001152162520 779688063 /nfs/dbraw/zinc/68/80/63/779688063.db2.gz XYQKMUCNKCPPPW-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152165153 779688364 /nfs/dbraw/zinc/68/83/64/779688364.db2.gz PVLFIIJRSRNRBV-GHMZBOCLSA-N 1 1 310.416 -1.135 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152165153 779688365 /nfs/dbraw/zinc/68/83/65/779688365.db2.gz PVLFIIJRSRNRBV-GHMZBOCLSA-N 1 1 310.416 -1.135 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001152282826 779689266 /nfs/dbraw/zinc/68/92/66/779689266.db2.gz PSGVAIOHJPJCHM-MRVPVSSYSA-N 1 1 312.378 -1.316 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1nncn1C ZINC001152414680 779692102 /nfs/dbraw/zinc/69/21/02/779692102.db2.gz IHFIBXKCIMNPTQ-MRVPVSSYSA-N 1 1 321.345 -2.028 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(=O)cc[nH]c3c2)[C@H]2NCN[C@H]21 ZINC001152572871 779693723 /nfs/dbraw/zinc/69/37/23/779693723.db2.gz VSZFSTAGLCNXNV-BFHYXJOUSA-N 1 1 314.349 -1.339 20 0 DAADMO CC[N@@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)CC(N)=O ZINC001152506893 779693981 /nfs/dbraw/zinc/69/39/81/779693981.db2.gz MWBXCIDHQOONQV-VXGBXAGGSA-N 1 1 319.402 -1.288 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H]2NCN[C@H]21 ZINC001152510581 779694386 /nfs/dbraw/zinc/69/43/86/779694386.db2.gz GYWYWOFBBLDBRZ-YIZRAAEISA-N 1 1 323.382 -2.518 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001152551077 779694607 /nfs/dbraw/zinc/69/46/07/779694607.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001152551077 779694608 /nfs/dbraw/zinc/69/46/08/779694608.db2.gz LJUGCMDTVLSWBB-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)n1 ZINC001152691621 779695523 /nfs/dbraw/zinc/69/55/23/779695523.db2.gz QBWFPYRUMNWVPP-UHFFFAOYSA-N 1 1 307.358 -1.145 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H](C)CS(C)(=O)=O)[nH]1 ZINC001152617691 779695880 /nfs/dbraw/zinc/69/58/80/779695880.db2.gz DBQNAFRYFXHEDO-MRVPVSSYSA-N 1 1 303.388 -1.000 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cccc(C(N)=O)n2)nn1 ZINC001152848172 779698537 /nfs/dbraw/zinc/69/85/37/779698537.db2.gz FOXIYWDVAZUXGR-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CN1c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ccc2CC1=O ZINC001152828890 779698737 /nfs/dbraw/zinc/69/87/37/779698737.db2.gz DQPNFLPKHBVDLL-IHRRRGAJSA-N 1 1 316.365 -1.662 20 0 DAADMO CN1c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ccc2CC1=O ZINC001152828885 779698765 /nfs/dbraw/zinc/69/87/65/779698765.db2.gz DQPNFLPKHBVDLL-HZSPNIEDSA-N 1 1 316.365 -1.662 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873350 779699325 /nfs/dbraw/zinc/69/93/25/779699325.db2.gz KALGHSJHCSKCIA-GHMZBOCLSA-N 1 1 315.374 -1.182 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873372 779699798 /nfs/dbraw/zinc/69/97/98/779699798.db2.gz KXFGNIGMKWCHLN-LLVKDONJSA-N 1 1 315.374 -1.181 20 0 DAADMO CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873777 779699807 /nfs/dbraw/zinc/69/98/07/779699807.db2.gz VQROPJQIJCXHNV-SNVBAGLBSA-N 1 1 312.374 -1.054 20 0 DAADMO CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001152873777 779699810 /nfs/dbraw/zinc/69/98/10/779699810.db2.gz VQROPJQIJCXHNV-SNVBAGLBSA-N 1 1 312.374 -1.054 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2c[nH]c3c2ncnc3Cl)[C@H]2NCN[C@H]21 ZINC001152952738 779699821 /nfs/dbraw/zinc/69/98/21/779699821.db2.gz HURBZHUNTSNNIT-JMJZKYOTSA-N 1 1 322.760 -1.256 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cccc(C(N)=O)n1)c1nnnn1C ZINC001152855707 779699869 /nfs/dbraw/zinc/69/98/69/779699869.db2.gz CFMXJQNTEXOPMN-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cccc(C(N)=O)n2)n1 ZINC001152848614 779700163 /nfs/dbraw/zinc/70/01/63/779700163.db2.gz NXAJHZMMKNTPTP-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3ccc(Cl)nn32)[C@H]2NCN[C@H]21 ZINC001153219610 779701613 /nfs/dbraw/zinc/70/16/13/779701613.db2.gz VDUAWFCCKYEMMU-HBNTYKKESA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001153071759 779701779 /nfs/dbraw/zinc/70/17/79/779701779.db2.gz YUOOCXXEZMJSKS-SFYZADRCSA-N 1 1 315.330 -1.884 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001153071759 779701785 /nfs/dbraw/zinc/70/17/85/779701785.db2.gz YUOOCXXEZMJSKS-SFYZADRCSA-N 1 1 315.330 -1.884 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnnn1C ZINC001153064720 779701841 /nfs/dbraw/zinc/70/18/41/779701841.db2.gz REXCNUIYTXWHEB-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnnn1C ZINC001153064720 779701845 /nfs/dbraw/zinc/70/18/45/779701845.db2.gz REXCNUIYTXWHEB-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)cn1)c1nnnn1C ZINC001153371949 779702451 /nfs/dbraw/zinc/70/24/51/779702451.db2.gz DBZYPIILJIIOOG-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)cn1)c1nnnn1C ZINC001153371948 779702988 /nfs/dbraw/zinc/70/29/88/779702988.db2.gz DBZYPIILJIIOOG-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CC(=O)N3)[C@@H]2NCN[C@H]21 ZINC001153335100 779703534 /nfs/dbraw/zinc/70/35/34/779703534.db2.gz HKMUUCGHJOIZSJ-XQQFMLRXSA-N 1 1 302.338 -1.686 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2ccc(C(N)=O)cn2)n1 ZINC001153373364 779703619 /nfs/dbraw/zinc/70/36/19/779703619.db2.gz XJGZLKUFFCZVIV-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CC(=O)N3)[C@@H]2NCN[C@@H]21 ZINC001153335099 779703637 /nfs/dbraw/zinc/70/36/37/779703637.db2.gz HKMUUCGHJOIZSJ-UPJWGTAASA-N 1 1 302.338 -1.686 20 0 DAADMO O=C(Cn1ccnc1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001153487580 779704223 /nfs/dbraw/zinc/70/42/23/779704223.db2.gz GCDWAEVOKIUYPA-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153445720 779705399 /nfs/dbraw/zinc/70/53/99/779705399.db2.gz HDOZSZWZXIZONA-SNVBAGLBSA-N 1 1 312.374 -1.150 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520624 779706321 /nfs/dbraw/zinc/70/63/21/779706321.db2.gz NRZDONDSDWXEMC-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001153586053 779706686 /nfs/dbraw/zinc/70/66/86/779706686.db2.gz JBRHNUSSRPUOAR-JTQLQIEISA-N 1 1 322.373 -1.243 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C(N)=O)c1nnnn1C ZINC001153586477 779706913 /nfs/dbraw/zinc/70/69/13/779706913.db2.gz UDSXEORMBRTYAL-BDAKNGLRSA-N 1 1 310.362 -1.480 20 0 DAADMO Cc1cn2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2n1 ZINC001153603074 779707360 /nfs/dbraw/zinc/70/73/60/779707360.db2.gz WMUGTZJRQPPUMP-GMXVVIOVSA-N 1 1 301.354 -1.225 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCNC(=O)[C@H]2CCCO2)n1 ZINC001153599187 779707384 /nfs/dbraw/zinc/70/73/84/779707384.db2.gz XLORCLPNUVBCIC-GFCCVEGCSA-N 1 1 324.385 -1.294 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1nccn1 ZINC001153604139 779707541 /nfs/dbraw/zinc/70/75/41/779707541.db2.gz BKYJIYQNURMWTR-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cn1nccn1 ZINC001153604139 779707546 /nfs/dbraw/zinc/70/75/46/779707546.db2.gz BKYJIYQNURMWTR-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO COc1ncnc(OC)c1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001153598173 779707596 /nfs/dbraw/zinc/70/75/96/779707596.db2.gz LUTGQIJOEQPNPB-UHFFFAOYSA-N 1 1 322.329 -1.463 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715497 779709024 /nfs/dbraw/zinc/70/90/24/779709024.db2.gz SEPBCYJHDWGLLS-LLVKDONJSA-N 1 1 304.391 -1.249 20 0 DAADMO CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715381 779709217 /nfs/dbraw/zinc/70/92/17/779709217.db2.gz RBTKEKKDKCRXON-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715381 779709218 /nfs/dbraw/zinc/70/92/18/779709218.db2.gz RBTKEKKDKCRXON-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001153733807 779709377 /nfs/dbraw/zinc/70/93/77/779709377.db2.gz IVZDOOGSZGLTOA-NXEZZACHSA-N 1 1 312.370 -1.164 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001153733807 779709387 /nfs/dbraw/zinc/70/93/87/779709387.db2.gz IVZDOOGSZGLTOA-NXEZZACHSA-N 1 1 312.370 -1.164 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)nc[nH]c3=O)[C@H]2NCN[C@@H]21 ZINC001153762692 779710135 /nfs/dbraw/zinc/71/01/35/779710135.db2.gz JWRVCYVDYWULES-IJLUTSLNSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001153728701 779710161 /nfs/dbraw/zinc/71/01/61/779710161.db2.gz SQCHJDHQWXQPCL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO Nc1ccc2c(cccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001153812924 779710729 /nfs/dbraw/zinc/71/07/29/779710729.db2.gz NIYQHDYARRQCSX-HZSPNIEDSA-N 1 1 313.365 -1.050 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153777223 779711313 /nfs/dbraw/zinc/71/13/13/779711313.db2.gz KHHCUSSKMQVWQY-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)c1nncn1C ZINC001153883028 779711952 /nfs/dbraw/zinc/71/19/52/779711952.db2.gz UHPLWVGDNNNGJJ-DTWKUNHWSA-N 1 1 308.342 -1.365 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)[nH]1 ZINC001153882521 779712167 /nfs/dbraw/zinc/71/21/67/779712167.db2.gz IEUGDRCRHLGNTR-CBAPKCEASA-N 1 1 308.342 -1.067 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)nn1 ZINC001153886447 779712520 /nfs/dbraw/zinc/71/25/20/779712520.db2.gz BRPIOHHENXVTNO-VIFPVBQESA-N 1 1 308.342 -1.443 20 0 DAADMO Cc1nc2ccc(F)cn2c1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001154019509 779715748 /nfs/dbraw/zinc/71/57/48/779715748.db2.gz NVYLAAWBBBQGNC-DRZSPHRISA-N 1 1 319.344 -1.085 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153930224 779715814 /nfs/dbraw/zinc/71/58/14/779715814.db2.gz UFRXWSDVEKLGFL-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CNC(=O)CNC(C)=O ZINC001154053575 779717254 /nfs/dbraw/zinc/71/72/54/779717254.db2.gz REZIOEVARZTQBF-MNOVXSKESA-N 1 1 316.402 -1.554 20 0 DAADMO CC1(C)COc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cnn2C1 ZINC001154367891 779718258 /nfs/dbraw/zinc/71/82/58/779718258.db2.gz ITPZLZAPEQGTJT-OUAUKWLOSA-N 1 1 321.385 -1.566 20 0 DAADMO CN1Cc2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2C1=O ZINC001154333718 779718335 /nfs/dbraw/zinc/71/83/35/779718335.db2.gz XELHCDHVUAXLEA-RWMBFGLXSA-N 1 1 316.365 -1.595 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCN1C(=O)CCC1=O ZINC001154229375 779718497 /nfs/dbraw/zinc/71/84/97/779718497.db2.gz OCTPCNYJRYMYEP-SNVBAGLBSA-N 1 1 312.370 -1.163 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCN1C(=O)CCC1=O ZINC001154229375 779718502 /nfs/dbraw/zinc/71/85/02/779718502.db2.gz OCTPCNYJRYMYEP-SNVBAGLBSA-N 1 1 312.370 -1.163 20 0 DAADMO Nc1nc2ccccc2cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001154289926 779718523 /nfs/dbraw/zinc/71/85/23/779718523.db2.gz UTDWGPXTRQNOFG-UBHSHLNASA-N 1 1 313.365 -1.050 20 0 DAADMO CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001154418855 779719894 /nfs/dbraw/zinc/71/98/94/779719894.db2.gz WXZWWYZHTZBYRA-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001154418855 779719897 /nfs/dbraw/zinc/71/98/97/779719897.db2.gz WXZWWYZHTZBYRA-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO COc1ccc2c(c1)n[nH]c2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001154474456 779721152 /nfs/dbraw/zinc/72/11/52/779721152.db2.gz YZZYHSICHLYESI-FRRDWIJNSA-N 1 1 317.353 -1.296 20 0 DAADMO COc1ccc2c(c1)n[nH]c2C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001154474457 779721346 /nfs/dbraw/zinc/72/13/46/779721346.db2.gz YZZYHSICHLYESI-RWMBFGLXSA-N 1 1 317.353 -1.296 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620300 779723909 /nfs/dbraw/zinc/72/39/09/779723909.db2.gz HBRJAUXMBMBRSN-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ncccc23)[C@@H]2NCN[C@H]21 ZINC001154625200 779724043 /nfs/dbraw/zinc/72/40/43/779724043.db2.gz RUKUDXGVILMXDK-AXFHLTTASA-N 1 1 316.325 -2.137 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620909 779724639 /nfs/dbraw/zinc/72/46/39/779724639.db2.gz VXBUGOLDONVAPN-IJLUTSLNSA-N 1 1 316.402 -1.156 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154698741 779726172 /nfs/dbraw/zinc/72/61/72/779726172.db2.gz CKMFPINFOZZYBU-SNVBAGLBSA-N 1 1 324.389 -1.325 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001154937736 779728073 /nfs/dbraw/zinc/72/80/73/779728073.db2.gz CLUCGABHWJXZQV-MRVPVSSYSA-N 1 1 313.358 -1.727 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001154937736 779728078 /nfs/dbraw/zinc/72/80/78/779728078.db2.gz CLUCGABHWJXZQV-MRVPVSSYSA-N 1 1 313.358 -1.727 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154921221 779728165 /nfs/dbraw/zinc/72/81/65/779728165.db2.gz LIYREUUYOMREKP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154921221 779728170 /nfs/dbraw/zinc/72/81/70/779728170.db2.gz LIYREUUYOMREKP-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H](C)CNC(=O)C(N)=O ZINC001154968503 779728395 /nfs/dbraw/zinc/72/83/95/779728395.db2.gz KTLHMCZNFQRZSJ-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154920968 779728416 /nfs/dbraw/zinc/72/84/16/779728416.db2.gz JOZSKTZJAFUGAK-GHMZBOCLSA-N 1 1 309.374 -1.214 20 0 DAADMO CCOCCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945378 779728599 /nfs/dbraw/zinc/72/85/99/779728599.db2.gz UXWOIWBDTDVYGT-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO CCOCCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154945378 779728606 /nfs/dbraw/zinc/72/86/06/779728606.db2.gz UXWOIWBDTDVYGT-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154921507 779728761 /nfs/dbraw/zinc/72/87/61/779728761.db2.gz PGAHAVLGFXJISY-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO Cn1cnc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001155004403 779729079 /nfs/dbraw/zinc/72/90/79/779729079.db2.gz JJASMCUGDBLGIA-FRRDWIJNSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273574 779731241 /nfs/dbraw/zinc/73/12/41/779731241.db2.gz WMARWYNOGVNKRV-HLTSFMKQSA-N 1 1 313.358 -1.871 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273574 779731243 /nfs/dbraw/zinc/73/12/43/779731243.db2.gz WMARWYNOGVNKRV-HLTSFMKQSA-N 1 1 313.358 -1.871 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001155273409 779731388 /nfs/dbraw/zinc/73/13/88/779731388.db2.gz SJLCGWURWKEMMM-UTUOFQBUSA-N 1 1 301.387 -1.057 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155222174 779731510 /nfs/dbraw/zinc/73/15/10/779731510.db2.gz VCIBIRNOKXQASD-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001155222174 779731514 /nfs/dbraw/zinc/73/15/14/779731514.db2.gz VCIBIRNOKXQASD-OUAUKWLOSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155528252 779732778 /nfs/dbraw/zinc/73/27/78/779732778.db2.gz FPDSTMMCOXUROY-SNVBAGLBSA-N 1 1 310.420 -1.799 20 0 DAADMO Cc1cccn2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c12 ZINC001155634779 779734573 /nfs/dbraw/zinc/73/45/73/779734573.db2.gz APMZMZGXDZNTIV-KGYLQXTDSA-N 1 1 301.354 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(s2)CCOC3)[C@H]2NCN[C@H]21 ZINC001155834177 779735445 /nfs/dbraw/zinc/73/54/45/779735445.db2.gz BTHHBVHFCLIJKE-QJPTWQEYSA-N 1 1 309.395 -1.047 20 0 DAADMO COC(=O)[C@@H](CO)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001155929801 779736746 /nfs/dbraw/zinc/73/67/46/779736746.db2.gz ZXJTYMKFIMILBQ-LLVKDONJSA-N 1 1 323.353 -1.138 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001155906086 779737248 /nfs/dbraw/zinc/73/72/48/779737248.db2.gz UTXFAGABHDJIFU-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155906086 779737253 /nfs/dbraw/zinc/73/72/53/779737253.db2.gz UTXFAGABHDJIFU-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155906086 779737258 /nfs/dbraw/zinc/73/72/58/779737258.db2.gz UTXFAGABHDJIFU-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155906086 779737264 /nfs/dbraw/zinc/73/72/64/779737264.db2.gz UTXFAGABHDJIFU-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155906086 779737271 /nfs/dbraw/zinc/73/72/71/779737271.db2.gz UTXFAGABHDJIFU-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO COc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nnc12 ZINC001156017140 779737333 /nfs/dbraw/zinc/73/73/33/779737333.db2.gz HSXJZJCMOHTMIO-WCABBAIRSA-N 1 1 318.341 -2.129 20 0 DAADMO Cc1ccc2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n2c1 ZINC001156042682 779738332 /nfs/dbraw/zinc/73/83/32/779738332.db2.gz ULLATWDWEDRZLU-DCAQKATOSA-N 1 1 302.342 -1.830 20 0 DAADMO CCc1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cccn12 ZINC001156055855 779738610 /nfs/dbraw/zinc/73/86/10/779738610.db2.gz ASYMXRXHGWOXKP-MDZLAQPJSA-N 1 1 316.369 -1.576 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001156289873 779739823 /nfs/dbraw/zinc/73/98/23/779739823.db2.gz YSTQIZUKPZEBNU-MRVPVSSYSA-N 1 1 311.346 -1.631 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001156289873 779739824 /nfs/dbraw/zinc/73/98/24/779739824.db2.gz YSTQIZUKPZEBNU-MRVPVSSYSA-N 1 1 311.346 -1.631 20 0 DAADMO CS(=O)(=O)CC[NH2+]CCCNC(=O)CCc1nc[nH]n1 ZINC001156328416 779740280 /nfs/dbraw/zinc/74/02/80/779740280.db2.gz SEGLXCMWYRQXIP-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO Cc1cc(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)[nH]n1 ZINC001156460353 779742347 /nfs/dbraw/zinc/74/23/47/779742347.db2.gz DDTBZXWIDOHQRT-UHFFFAOYSA-N 1 1 322.369 -1.092 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001156797566 779742599 /nfs/dbraw/zinc/74/25/99/779742599.db2.gz KCUQLHMNLQICFS-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001156797566 779742601 /nfs/dbraw/zinc/74/26/01/779742601.db2.gz KCUQLHMNLQICFS-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)CN2CN=NC2=O)n1 ZINC001156879894 779745467 /nfs/dbraw/zinc/74/54/67/779745467.db2.gz VOVLHXAWLSFGDY-UHFFFAOYSA-N 1 1 324.345 -1.271 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001156883343 779745643 /nfs/dbraw/zinc/74/56/43/779745643.db2.gz RIPXBKCZYKLFMS-MRVPVSSYSA-N 1 1 311.342 -1.589 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001156883343 779745650 /nfs/dbraw/zinc/74/56/50/779745650.db2.gz RIPXBKCZYKLFMS-MRVPVSSYSA-N 1 1 311.342 -1.589 20 0 DAADMO CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890569 779745808 /nfs/dbraw/zinc/74/58/08/779745808.db2.gz PCKWVNHXDLGIGM-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001156949240 779747022 /nfs/dbraw/zinc/74/70/22/779747022.db2.gz KARYJWJYUHVZLO-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967217 779747308 /nfs/dbraw/zinc/74/73/08/779747308.db2.gz PHIVHNJQQHZUDW-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001156967217 779747310 /nfs/dbraw/zinc/74/73/10/779747310.db2.gz PHIVHNJQQHZUDW-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c[nH]c2n1 ZINC001157104412 779748118 /nfs/dbraw/zinc/74/81/18/779748118.db2.gz IFTHNKQIWBEKES-MDZLAQPJSA-N 1 1 317.353 -1.296 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001157163264 779749101 /nfs/dbraw/zinc/74/91/01/779749101.db2.gz SSYVOSPSKTVSJY-SNVBAGLBSA-N 1 1 311.379 -1.158 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cnn2c1 ZINC001157234284 779750763 /nfs/dbraw/zinc/75/07/63/779750763.db2.gz HYEBAOIHDOXLNS-AGIUHOORSA-N 1 1 317.353 -1.524 20 0 DAADMO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001157336380 779752524 /nfs/dbraw/zinc/75/25/24/779752524.db2.gz OHDVPMQOCPCQAV-QWRGUYRKSA-N 1 1 313.402 -1.704 20 0 DAADMO C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369481 779753477 /nfs/dbraw/zinc/75/34/77/779753477.db2.gz UWIKIYFDFOURTG-WOPDTQHZSA-N 1 1 300.403 -1.069 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@H]2COC(=O)N2)n1 ZINC001157360940 779753744 /nfs/dbraw/zinc/75/37/44/779753744.db2.gz USRVEJQVYXDNCE-MRVPVSSYSA-N 1 1 312.330 -1.160 20 0 DAADMO C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2COC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423197 779754654 /nfs/dbraw/zinc/75/46/54/779754654.db2.gz LLLMYXDIOQNSPW-PVPNSNEASA-N 1 1 306.315 -3.107 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)CNC(N)=O)[C@H]1CCNC1=O ZINC001157521918 779755834 /nfs/dbraw/zinc/75/58/34/779755834.db2.gz BRTVURHEWLTNGU-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001157746125 779758529 /nfs/dbraw/zinc/75/85/29/779758529.db2.gz QKYFQAQKLHDESH-ZETCQYMHSA-N 1 1 311.346 -1.665 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)n[nH]1 ZINC001157744654 779758703 /nfs/dbraw/zinc/75/87/03/779758703.db2.gz CHDOFZZDAUSHHF-UHFFFAOYSA-N 1 1 322.369 -1.099 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)n[nH]1 ZINC001157737060 779759000 /nfs/dbraw/zinc/75/90/00/779759000.db2.gz SVLCNLNZKQEVBP-UHFFFAOYSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973495 779762990 /nfs/dbraw/zinc/76/29/90/779762990.db2.gz GFUATYAYAQQFOC-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157973495 779762997 /nfs/dbraw/zinc/76/29/97/779762997.db2.gz GFUATYAYAQQFOC-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001158013056 779764059 /nfs/dbraw/zinc/76/40/59/779764059.db2.gz BKVUGMARCHHXCH-WCQGTBRESA-N 1 1 316.377 -1.151 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC001158013966 779764068 /nfs/dbraw/zinc/76/40/68/779764068.db2.gz HSEYEKLJVKWUSC-LBPRGKRZSA-N 1 1 307.354 -1.037 20 0 DAADMO NC(=O)NCCC[C@@H](N)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091456 779765755 /nfs/dbraw/zinc/76/57/55/779765755.db2.gz CMKYJSPXHGZHCZ-NOZJJQNGSA-N 1 1 312.374 -2.547 20 0 DAADMO Cn1cncc1C[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091837 779766223 /nfs/dbraw/zinc/76/62/23/779766223.db2.gz IMKZKBRTNNQKEL-FZMZJTMJSA-N 1 1 306.370 -2.020 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111138 779768072 /nfs/dbraw/zinc/76/80/72/779768072.db2.gz KPSCFBHARKWKRX-HZMBPMFUSA-N 1 1 310.354 -2.185 20 0 DAADMO O=C(c1n[nH]c2c1CCNC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158112171 779768371 /nfs/dbraw/zinc/76/83/71/779768371.db2.gz WOQQWMADVQHTMY-AWEZNQCLSA-N 1 1 304.354 -1.641 20 0 DAADMO O=C(c1ncn2c1CNCC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111270 779768742 /nfs/dbraw/zinc/76/87/42/779768742.db2.gz MPEQKEHVNRMSSY-CQSZACIVSA-N 1 1 304.354 -1.710 20 0 DAADMO O=C(c1n[nH]c2c1CCNC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158112172 779768860 /nfs/dbraw/zinc/76/88/60/779768860.db2.gz WOQQWMADVQHTMY-CQSZACIVSA-N 1 1 304.354 -1.641 20 0 DAADMO O=C(C[C@@H]1COCCN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120599 779769284 /nfs/dbraw/zinc/76/92/84/779769284.db2.gz OJJIUQPVIJGRAW-IAQYHMDHSA-N 1 1 308.382 -1.697 20 0 DAADMO O=C([C@@H]1CNCCC1=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121686 779769850 /nfs/dbraw/zinc/76/98/50/779769850.db2.gz WBYSWLHSSYSSNM-BMIGLBTASA-N 1 1 306.366 -1.897 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)Cn2ncnn2)n1 ZINC001158163416 779769865 /nfs/dbraw/zinc/76/98/65/779769865.db2.gz PIGFLAQBOCDTNF-UHFFFAOYSA-N 1 1 309.334 -1.582 20 0 DAADMO COCCc1noc(C[NH2+]CCCNC(=O)Cn2ncnn2)n1 ZINC001158163517 779770226 /nfs/dbraw/zinc/77/02/26/779770226.db2.gz TYKFEYPMEHEKRY-UHFFFAOYSA-N 1 1 324.345 -1.459 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158277001 779772158 /nfs/dbraw/zinc/77/21/58/779772158.db2.gz KKFVSLVCTOAJLV-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326090 779774242 /nfs/dbraw/zinc/77/42/42/779774242.db2.gz GPUREFCDWFOPCC-LLVKDONJSA-N 1 1 307.354 -1.213 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001158419659 779775792 /nfs/dbraw/zinc/77/57/92/779775792.db2.gz VNXNDZPFYVVZAH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001158419659 779775796 /nfs/dbraw/zinc/77/57/96/779775796.db2.gz VNXNDZPFYVVZAH-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412534 779775835 /nfs/dbraw/zinc/77/58/35/779775835.db2.gz OQEGKYLVENCYNH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412534 779775839 /nfs/dbraw/zinc/77/58/39/779775839.db2.gz OQEGKYLVENCYNH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158425664 779776001 /nfs/dbraw/zinc/77/60/01/779776001.db2.gz AQSPSYAZKFVIAQ-RKDXNWHRSA-N 1 1 313.358 -1.632 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158425664 779776006 /nfs/dbraw/zinc/77/60/06/779776006.db2.gz AQSPSYAZKFVIAQ-RKDXNWHRSA-N 1 1 313.358 -1.632 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486821 779776663 /nfs/dbraw/zinc/77/66/63/779776663.db2.gz SAQXHNPGSZZPJP-RYUDHWBXSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486821 779776671 /nfs/dbraw/zinc/77/66/71/779776671.db2.gz SAQXHNPGSZZPJP-RYUDHWBXSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486819 779777054 /nfs/dbraw/zinc/77/70/54/779777054.db2.gz SAQXHNPGSZZPJP-NEPJUHHUSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486819 779777057 /nfs/dbraw/zinc/77/70/57/779777057.db2.gz SAQXHNPGSZZPJP-NEPJUHHUSA-N 1 1 323.401 -1.331 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579427 779777701 /nfs/dbraw/zinc/77/77/01/779777701.db2.gz SPLRTISFTMTJSG-VLEAKVRGSA-N 1 1 316.377 -1.654 20 0 DAADMO COCCN1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001158605354 779777756 /nfs/dbraw/zinc/77/77/56/779777756.db2.gz WVCHMKAEHJHUNL-AWEZNQCLSA-N 1 1 313.446 -1.473 20 0 DAADMO N[C@@H](C[NH3+])C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158659604 779779245 /nfs/dbraw/zinc/77/92/45/779779245.db2.gz PQQPODLVUQYRPP-JTQLQIEISA-N 1 1 317.353 -1.071 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158885781 779781372 /nfs/dbraw/zinc/78/13/72/779781372.db2.gz ABCGVVJEBMYNDV-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001158872743 779781554 /nfs/dbraw/zinc/78/15/54/779781554.db2.gz ZKVTWLJXWNMULT-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO COc1ccc(C)[nH+]c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001158975596 779785479 /nfs/dbraw/zinc/78/54/79/779785479.db2.gz XZXJHUOZVSHPFL-CJJWORHMSA-N 1 1 300.311 -1.390 20 0 DAADMO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)cn1 ZINC001159084857 779787077 /nfs/dbraw/zinc/78/70/77/779787077.db2.gz MXSQUKCHRWLEIB-LPTSXCQYSA-N 1 1 318.381 -1.185 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159206262 779788861 /nfs/dbraw/zinc/78/88/61/779788861.db2.gz WDWLQLPSKYUYRG-GFCCVEGCSA-N 1 1 314.386 -1.200 20 0 DAADMO NC(=O)NCC(=O)NCCC1=CC[N@@H+](CCOCCO)CC1 ZINC001159205943 779789031 /nfs/dbraw/zinc/78/90/31/779789031.db2.gz GPOUXLRFSRUEPE-UHFFFAOYSA-N 1 1 314.386 -1.198 20 0 DAADMO OC[C@H]1C[C@@H](O)CN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001159250971 779789873 /nfs/dbraw/zinc/78/98/73/779789873.db2.gz PEOFTCOKUFUSFU-GHMZBOCLSA-N 1 1 321.381 -1.152 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001159996636 779798763 /nfs/dbraw/zinc/79/87/63/779798763.db2.gz LCSJAVLRRCRZAI-LLVKDONJSA-N 1 1 310.354 -1.021 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001159996636 779798772 /nfs/dbraw/zinc/79/87/72/779798772.db2.gz LCSJAVLRRCRZAI-LLVKDONJSA-N 1 1 310.354 -1.021 20 0 DAADMO O=C(Cn1ncnn1)NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001160150213 779800389 /nfs/dbraw/zinc/80/03/89/779800389.db2.gz HKWAFYNGSUCKOV-GFCCVEGCSA-N 1 1 319.369 -1.300 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087014 779800457 /nfs/dbraw/zinc/80/04/57/779800457.db2.gz PDGOPVYLMNAIKX-FAQVLOEFSA-N 1 1 320.309 -1.811 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150691 779800474 /nfs/dbraw/zinc/80/04/74/779800474.db2.gz PNVHGIXLKPFJNI-NSHDSACASA-N 1 1 321.385 -1.054 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150189 779800781 /nfs/dbraw/zinc/80/07/81/779800781.db2.gz GCMCUWQEPJBKOY-UHFFFAOYSA-N 1 1 321.385 -1.100 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH2+]Cc1csnn1 ZINC001160178717 779802035 /nfs/dbraw/zinc/80/20/35/779802035.db2.gz HAFLEWIQYUNUQS-QMMMGPOBSA-N 1 1 312.355 -1.268 20 0 DAADMO Cc1nc([C@H](C)[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n[nH]1 ZINC001160171852 779802245 /nfs/dbraw/zinc/80/22/45/779802245.db2.gz DJDJBSSBGVQXEN-CBAPKCEASA-N 1 1 323.357 -1.132 20 0 DAADMO Cc1n[nH]c([C@H](C)[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n1 ZINC001160171852 779802251 /nfs/dbraw/zinc/80/22/51/779802251.db2.gz DJDJBSSBGVQXEN-CBAPKCEASA-N 1 1 323.357 -1.132 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001160179839 779803597 /nfs/dbraw/zinc/80/35/97/779803597.db2.gz VCSIBESWYPTZCM-QMMMGPOBSA-N 1 1 310.314 -1.428 20 0 DAADMO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)C[NH3+])CC1 ZINC001160388865 779805487 /nfs/dbraw/zinc/80/54/87/779805487.db2.gz PTXKKRSPGYZOBL-LBPRGKRZSA-N 1 1 311.430 -1.182 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160439780 779806972 /nfs/dbraw/zinc/80/69/72/779806972.db2.gz MWEGCBBDRDHKFS-MNOVXSKESA-N 1 1 323.353 -1.440 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160454640 779807851 /nfs/dbraw/zinc/80/78/51/779807851.db2.gz PWENAFKIDMBBBU-JQWIXIFHSA-N 1 1 300.403 -1.389 20 0 DAADMO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CNCCC[NH3+] ZINC001160495006 779808121 /nfs/dbraw/zinc/80/81/21/779808121.db2.gz WCKZNXDCQQEWGA-WCBMZHEXSA-N 1 1 319.383 -1.459 20 0 DAADMO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CNCCC[NH3+] ZINC001160495007 779808512 /nfs/dbraw/zinc/80/85/12/779808512.db2.gz WCKZNXDCQQEWGA-WPRPVWTQSA-N 1 1 319.383 -1.459 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001160484880 779808551 /nfs/dbraw/zinc/80/85/51/779808551.db2.gz IFLSUHYLCOUSBN-STQMWFEESA-N 1 1 309.414 -1.558 20 0 DAADMO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160492043 779808614 /nfs/dbraw/zinc/80/86/14/779808614.db2.gz CPVVSOATBHOJQD-VEVYYDQMSA-N 1 1 317.367 -1.708 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001160485121 779808641 /nfs/dbraw/zinc/80/86/41/779808641.db2.gz RDDVWWLZQSSNSE-IOASZLSFSA-N 1 1 323.441 -1.123 20 0 DAADMO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160493583 779809832 /nfs/dbraw/zinc/80/98/32/779809832.db2.gz NNUOOKKZGCNBNQ-OYNCUSHFSA-N 1 1 318.351 -1.409 20 0 DAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001160585750 779811024 /nfs/dbraw/zinc/81/10/24/779811024.db2.gz QXRYMIHGIASPIT-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC1 ZINC001160584769 779811375 /nfs/dbraw/zinc/81/13/75/779811375.db2.gz GHHSETFBMSZFPB-RYUDHWBXSA-N 1 1 318.443 -1.746 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CCF)CC1 ZINC001160629947 779812523 /nfs/dbraw/zinc/81/25/23/779812523.db2.gz VSEUFNYANCUIDD-CYBMUJFWSA-N 1 1 301.410 -1.150 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654794 779815756 /nfs/dbraw/zinc/81/57/56/779815756.db2.gz BZKDHEBCWCQRHI-HZSPNIEDSA-N 1 1 320.393 -1.407 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160787914 779817896 /nfs/dbraw/zinc/81/78/96/779817896.db2.gz NTIOJSPFUWDIDK-JQWIXIFHSA-N 1 1 307.354 -1.040 20 0 DAADMO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)C[NH2+]CCN)C2 ZINC001160774072 779818098 /nfs/dbraw/zinc/81/80/98/779818098.db2.gz PDQLMVPBXQEPKV-SECBINFHSA-N 1 1 319.383 -2.277 20 0 DAADMO CCOC(=O)[C@]12CN(C(=O)Cc3nn[nH]n3)C[C@H]1C[NH2+]CC2 ZINC001160805981 779819454 /nfs/dbraw/zinc/81/94/54/779819454.db2.gz IZJZTZQJLSOKLR-NOZJJQNGSA-N 1 1 308.342 -1.257 20 0 DAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CNCCO3)C[C@H]1C2 ZINC001160791700 779819697 /nfs/dbraw/zinc/81/96/97/779819697.db2.gz ACNFBCRMFAKYHV-FSPSUXSGSA-N 1 1 323.393 -1.168 20 0 DAADMO CN1C[C@H](C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)NC1=O ZINC001160861618 779821309 /nfs/dbraw/zinc/82/13/09/779821309.db2.gz VBQDRZNDXKKNBV-LLVKDONJSA-N 1 1 309.370 -1.366 20 0 DAADMO CN1C[C@H](C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)NC1=O ZINC001160861618 779821313 /nfs/dbraw/zinc/82/13/13/779821313.db2.gz VBQDRZNDXKKNBV-LLVKDONJSA-N 1 1 309.370 -1.366 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001160860205 779821331 /nfs/dbraw/zinc/82/13/31/779821331.db2.gz FODIJZZKHWTFOV-ZDUSSCGKSA-N 1 1 324.425 -1.063 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)O1 ZINC001160851235 779821642 /nfs/dbraw/zinc/82/16/42/779821642.db2.gz SWZUVCSVINKHIE-NXEZZACHSA-N 1 1 312.374 -1.175 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2n[nH]c(=O)[n-]2)O1 ZINC001160851235 779821649 /nfs/dbraw/zinc/82/16/49/779821649.db2.gz SWZUVCSVINKHIE-NXEZZACHSA-N 1 1 312.374 -1.175 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001160860617 779821727 /nfs/dbraw/zinc/82/17/27/779821727.db2.gz KOOPDJVAYAOUED-LBPRGKRZSA-N 1 1 323.397 -1.106 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001160860617 779821732 /nfs/dbraw/zinc/82/17/32/779821732.db2.gz KOOPDJVAYAOUED-LBPRGKRZSA-N 1 1 323.397 -1.106 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160927527 779823247 /nfs/dbraw/zinc/82/32/47/779823247.db2.gz IHSKFLNZAFVVCM-UHFFFAOYSA-N 1 1 307.358 -1.292 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)c2nnn(C)n2)CC1 ZINC001160927527 779823252 /nfs/dbraw/zinc/82/32/52/779823252.db2.gz IHSKFLNZAFVVCM-UHFFFAOYSA-N 1 1 307.358 -1.292 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161070825 779824079 /nfs/dbraw/zinc/82/40/79/779824079.db2.gz PXFFTEAMFFBSNT-UHFFFAOYSA-N 1 1 318.399 -1.841 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161070825 779824086 /nfs/dbraw/zinc/82/40/86/779824086.db2.gz PXFFTEAMFFBSNT-UHFFFAOYSA-N 1 1 318.399 -1.841 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008496 779824651 /nfs/dbraw/zinc/82/46/51/779824651.db2.gz PEGROVATJMNABE-RYUDHWBXSA-N 1 1 310.398 -1.349 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001161069803 779824696 /nfs/dbraw/zinc/82/46/96/779824696.db2.gz DEUQRFPGJZBZRR-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CCN1 ZINC001161014396 779824986 /nfs/dbraw/zinc/82/49/86/779824986.db2.gz CSEPUSHZKNKQSP-MNOVXSKESA-N 1 1 305.386 -1.256 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161051602 779825126 /nfs/dbraw/zinc/82/51/26/779825126.db2.gz ZQBMJHIGYYPIKS-GFCCVEGCSA-N 1 1 323.397 -1.106 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010129 779825329 /nfs/dbraw/zinc/82/53/29/779825329.db2.gz ZJQKXXRQNXDCDR-GARJFASQSA-N 1 1 314.386 -2.474 20 0 DAADMO NS(=O)(=O)c1cnc(NCCN2CC[NH2+]CC2=O)c(F)c1 ZINC001161025405 779825423 /nfs/dbraw/zinc/82/54/23/779825423.db2.gz SQARKEYJCDXKGH-UHFFFAOYSA-N 1 1 317.346 -1.288 20 0 DAADMO NC(=O)C(=O)NCCC1=CC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001161096156 779826613 /nfs/dbraw/zinc/82/66/13/779826613.db2.gz BERTWJTWRWNHIL-SNVBAGLBSA-N 1 1 308.338 -1.585 20 0 DAADMO COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC2)ncn1 ZINC001161093396 779826772 /nfs/dbraw/zinc/82/67/72/779826772.db2.gz MZWGITUHGZTXOD-MNOVXSKESA-N 1 1 306.370 -1.177 20 0 DAADMO COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161139640 779828394 /nfs/dbraw/zinc/82/83/94/779828394.db2.gz ZMDRLYSLVHATHE-FZMZJTMJSA-N 1 1 313.402 -2.160 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161096449 779828744 /nfs/dbraw/zinc/82/87/44/779828744.db2.gz LHOBINNWDSIWAK-UHFFFAOYSA-N 1 1 311.342 -1.934 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161096449 779828752 /nfs/dbraw/zinc/82/87/52/779828752.db2.gz LHOBINNWDSIWAK-UHFFFAOYSA-N 1 1 311.342 -1.934 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001161198918 779830274 /nfs/dbraw/zinc/83/02/74/779830274.db2.gz BGOHLKJELSZGLJ-NWDGAFQWSA-N 1 1 324.381 -1.357 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001161198918 779830278 /nfs/dbraw/zinc/83/02/78/779830278.db2.gz BGOHLKJELSZGLJ-NWDGAFQWSA-N 1 1 324.381 -1.357 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H](C)N1 ZINC001161229080 779830441 /nfs/dbraw/zinc/83/04/41/779830441.db2.gz BXIUBMKLGMVUBS-DCAQKATOSA-N 1 1 301.412 -1.028 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H](C)N1 ZINC001161229081 779831341 /nfs/dbraw/zinc/83/13/41/779831341.db2.gz BXIUBMKLGMVUBS-GARJFASQSA-N 1 1 301.412 -1.028 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CCN1C(C)=O ZINC001161296686 779833483 /nfs/dbraw/zinc/83/34/83/779833483.db2.gz SYXLVWVEHSMKGK-BLTAXRJOSA-N 1 1 324.381 -1.560 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CCN1C(C)=O ZINC001161295160 779834173 /nfs/dbraw/zinc/83/41/73/779834173.db2.gz HBZRSNVIPDPTOK-RYUDHWBXSA-N 1 1 323.353 -1.488 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CCN1C(C)=O ZINC001161296687 779834786 /nfs/dbraw/zinc/83/47/86/779834786.db2.gz SYXLVWVEHSMKGK-FJJYHAOUSA-N 1 1 324.381 -1.560 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2CCN(C)C(=O)C2)o1 ZINC001161394667 779835460 /nfs/dbraw/zinc/83/54/60/779835460.db2.gz FWHMHLZVEXIGAQ-UHFFFAOYSA-N 1 1 324.385 -1.252 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001161462544 779838581 /nfs/dbraw/zinc/83/85/81/779838581.db2.gz WUBFYRNDHSALKE-UHFFFAOYSA-N 1 1 309.330 -1.431 20 0 DAADMO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COC[NH2+]1)C[C@@H]2C(=O)N(C)C ZINC001161506287 779840550 /nfs/dbraw/zinc/84/05/50/779840550.db2.gz FBJJCPYMCURSAD-NEPJUHHUSA-N 1 1 324.381 -1.673 20 0 DAADMO CO[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001161493325 779840840 /nfs/dbraw/zinc/84/08/40/779840840.db2.gz LBLABPUYZMGXSJ-MELADBBJSA-N 1 1 320.393 -1.143 20 0 DAADMO CN(C1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1)[C@H]1CCOC1 ZINC001161499102 779841102 /nfs/dbraw/zinc/84/11/02/779841102.db2.gz NRHSDTAIDDAKDK-WCQYABFASA-N 1 1 310.398 -1.752 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511003 779842483 /nfs/dbraw/zinc/84/24/83/779842483.db2.gz USRACPSJOMRXKC-UWVGGRQHSA-N 1 1 302.400 -1.673 20 0 DAADMO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161691839 779843120 /nfs/dbraw/zinc/84/31/20/779843120.db2.gz YNRGRDHMWZWPQT-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)c2cnn[nH]2)C1=O ZINC001161709829 779845619 /nfs/dbraw/zinc/84/56/19/779845619.db2.gz FPQNVJXHLSZJFI-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)c1cnn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001161710961 779845715 /nfs/dbraw/zinc/84/57/15/779845715.db2.gz OSHOQQDNADCJFE-MRVPVSSYSA-N 1 1 323.357 -1.109 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161839240 779846240 /nfs/dbraw/zinc/84/62/40/779846240.db2.gz IDRYGJIEIDSTGX-UHFFFAOYSA-N 1 1 310.354 -1.331 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206677640 779846688 /nfs/dbraw/zinc/84/66/88/779846688.db2.gz VOXNHWOCFLHEPM-NXEZZACHSA-N 1 1 316.358 -1.719 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206677640 779846692 /nfs/dbraw/zinc/84/66/92/779846692.db2.gz VOXNHWOCFLHEPM-NXEZZACHSA-N 1 1 316.358 -1.719 20 0 DAADMO CC(C)OC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nn1 ZINC001162434898 779851676 /nfs/dbraw/zinc/85/16/76/779851676.db2.gz AOKUWLXLHNVIFG-SRVKXCTJSA-N 1 1 307.358 -1.461 20 0 DAADMO CNC(=O)CC(=O)NCC1(COC)CC[NH+](CC(N)=O)CC1 ZINC001162230314 779851701 /nfs/dbraw/zinc/85/17/01/779851701.db2.gz SHTZMDLWRIIMDX-UHFFFAOYSA-N 1 1 314.386 -1.547 20 0 DAADMO CC(C)OC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nn1 ZINC001162434871 779851797 /nfs/dbraw/zinc/85/17/97/779851797.db2.gz AOKUWLXLHNVIFG-GRYCIOLGSA-N 1 1 307.358 -1.461 20 0 DAADMO COc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1NC(C)C ZINC001162435546 779852067 /nfs/dbraw/zinc/85/20/67/779852067.db2.gz CZYKYRSQNKFQEX-JFGNBEQYSA-N 1 1 308.390 -1.198 20 0 DAADMO CSc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162437812 779853187 /nfs/dbraw/zinc/85/31/87/779853187.db2.gz VVPPWFDAIIVEDR-ZLUOBGJFSA-N 1 1 302.795 -1.256 20 0 DAADMO COC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162438078 779853276 /nfs/dbraw/zinc/85/32/76/779853276.db2.gz WQSIDLGARAHILT-XHNCKOQMSA-N 1 1 313.749 -1.587 20 0 DAADMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1C(N)=O ZINC001162436603 779853332 /nfs/dbraw/zinc/85/33/32/779853332.db2.gz NTXQJASSXKHCFN-AUTRQRHGSA-N 1 1 311.777 -1.361 20 0 DAADMO CSc1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162437809 779853375 /nfs/dbraw/zinc/85/33/75/779853375.db2.gz VVPPWFDAIIVEDR-HCWXCVPCSA-N 1 1 302.795 -1.256 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCOCC3)ncn2)[C@@H]2NCN[C@@H]21 ZINC001162437804 779853510 /nfs/dbraw/zinc/85/35/10/779853510.db2.gz VTPWSTVJKYGABQ-UPJWGTAASA-N 1 1 306.374 -2.190 20 0 DAADMO Cc1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1C(N)=O ZINC001162436604 779853545 /nfs/dbraw/zinc/85/35/45/779853545.db2.gz NTXQJASSXKHCFN-HOTUBEGUSA-N 1 1 311.777 -1.361 20 0 DAADMO [NH3+][C@@H]1NCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@H]2NCN[C@H]21 ZINC001162437619 779853634 /nfs/dbraw/zinc/85/36/34/779853634.db2.gz CHLASYJDQMXZHK-HOSYDEDBSA-N 1 1 309.761 -1.274 20 0 DAADMO CCOC(=O)Cc1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162437589 779853777 /nfs/dbraw/zinc/85/37/77/779853777.db2.gz VGMUMDMGXDEVDB-MBNYWOFBSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOc1ccc(C(=O)OC)c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162437445 779854089 /nfs/dbraw/zinc/85/40/89/779854089.db2.gz BXTNDDFWWSZBFM-MDZLAQPJSA-N 1 1 322.369 -1.236 20 0 DAADMO COC(=O)c1cnc(Cl)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162437249 779854203 /nfs/dbraw/zinc/85/42/03/779854203.db2.gz SXLZHRCBZMPILL-FJXKBIBVSA-N 1 1 313.749 -1.587 20 0 DAADMO COC(=O)c1cnc(Cl)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162437247 779854306 /nfs/dbraw/zinc/85/43/06/779854306.db2.gz SXLZHRCBZMPILL-BKPPORCPSA-N 1 1 313.749 -1.587 20 0 DAADMO COC(=O)c1cc(F)c(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162440007 779854651 /nfs/dbraw/zinc/85/46/51/779854651.db2.gz PVUBGQVVUNEUSS-JBLDHEPKSA-N 1 1 310.333 -1.187 20 0 DAADMO CCOC(=O)c1cc(F)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162438391 779854719 /nfs/dbraw/zinc/85/47/19/779854719.db2.gz YAVLUNZHBAYDQX-NHCYSSNCSA-N 1 1 310.333 -1.106 20 0 DAADMO COC(=O)c1cc(F)c(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162440009 779855045 /nfs/dbraw/zinc/85/50/45/779855045.db2.gz PVUBGQVVUNEUSS-JFGNBEQYSA-N 1 1 310.333 -1.187 20 0 DAADMO Cc1nc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2[nH]1 ZINC001162440769 779855367 /nfs/dbraw/zinc/85/53/67/779855367.db2.gz VKFTXAOCVYOMQB-SHRPOTNHSA-N 1 1 309.765 -1.188 20 0 DAADMO CNC(=O)c1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1Cl ZINC001162439058 779855453 /nfs/dbraw/zinc/85/54/53/779855453.db2.gz KATPNUHTFYAHDU-DCAQKATOSA-N 1 1 311.777 -1.409 20 0 DAADMO COC(=O)c1c(C)cc(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162440335 779855496 /nfs/dbraw/zinc/85/54/96/779855496.db2.gz QSUNXNGJTVGYGR-MDZLAQPJSA-N 1 1 306.370 -1.018 20 0 DAADMO CCOC(=O)c1cnc(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162439320 779855754 /nfs/dbraw/zinc/85/57/54/779855754.db2.gz LAYMWCXLEOHAQB-JFGNBEQYSA-N 1 1 307.358 -1.541 20 0 DAADMO COC(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1OC ZINC001162438451 779855845 /nfs/dbraw/zinc/85/58/45/779855845.db2.gz YWAVMYNKVLENSQ-OUAUKWLOSA-N 1 1 308.342 -1.626 20 0 DAADMO CCOC(=O)c1cnc(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162439319 779855910 /nfs/dbraw/zinc/85/59/10/779855910.db2.gz LAYMWCXLEOHAQB-JBLDHEPKSA-N 1 1 307.358 -1.541 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc2N1C ZINC001162441451 779856623 /nfs/dbraw/zinc/85/66/23/779856623.db2.gz XZWGBIJSMZXAFF-XAWUEOSKSA-N 1 1 319.373 -2.250 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CN[C@H](N)[C@H]4NCN[C@H]43)n2)CC1 ZINC001162443129 779856741 /nfs/dbraw/zinc/85/67/41/779856741.db2.gz FXQZLSVLMQYDPJ-AGIUHOORSA-N 1 1 319.417 -2.275 20 0 DAADMO CON(C)C(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001162442551 779856877 /nfs/dbraw/zinc/85/68/77/779856877.db2.gz CBSCHHUEMMCZIG-SDDRHHMPSA-N 1 1 307.358 -1.788 20 0 DAADMO NS(=O)(=O)c1cnc(N2CN[C@@H]([NH3+])[C@H]3NCN[C@H]32)c(F)c1 ZINC001162442477 779856988 /nfs/dbraw/zinc/85/69/88/779856988.db2.gz BTHDAQFDJSAOIQ-MRTMQBJTSA-N 1 1 317.350 -2.635 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nc2N1C ZINC001162441450 779857066 /nfs/dbraw/zinc/85/70/66/779857066.db2.gz XZWGBIJSMZXAFF-PBCZWWQYSA-N 1 1 319.373 -2.250 20 0 DAADMO NS(=O)(=O)c1cnc(N2CN[C@@H]([NH3+])[C@@H]3NCN[C@H]32)c(F)c1 ZINC001162442482 779857248 /nfs/dbraw/zinc/85/72/48/779857248.db2.gz BTHDAQFDJSAOIQ-XKSSXDPKSA-N 1 1 317.350 -2.635 20 0 DAADMO Cn1c(=O)ccc2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nc21 ZINC001162441997 779857260 /nfs/dbraw/zinc/85/72/60/779857260.db2.gz ZYYUIPBCGFRBCA-SGMGOOAPSA-N 1 1 301.354 -1.570 20 0 DAADMO C[C@@H]1CC(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c21 ZINC001162441201 779857363 /nfs/dbraw/zinc/85/73/63/779857363.db2.gz XKSJPVOAYKPDON-NLXIFRQRSA-N 1 1 304.358 -1.581 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(-n3ccccc3=O)n2)[C@@H]2NCN[C@@H]21 ZINC001162444377 779857743 /nfs/dbraw/zinc/85/77/43/779857743.db2.gz BICXVLHPSWZUFK-UPJWGTAASA-N 1 1 314.353 -1.876 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2NCN[C@@H]21 ZINC001162445005 779858054 /nfs/dbraw/zinc/85/80/54/779858054.db2.gz RSUYZMPUTTYCFU-IMSYWVGJSA-N 1 1 303.729 -1.246 20 0 DAADMO CCOC(=O)c1cnc(CC)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162444837 779858537 /nfs/dbraw/zinc/85/85/37/779858537.db2.gz QPSDSQCXSQXLPD-GMXVVIOVSA-N 1 1 321.385 -1.287 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncc3ncnc(Cl)c3n2)[C@@H]2NCN[C@H]21 ZINC001162444394 779858648 /nfs/dbraw/zinc/85/86/48/779858648.db2.gz BJTQUFIPAAPEAG-SFGNSQDASA-N 1 1 307.749 -1.430 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2cncc(Cl)n2)[C@@H]2NCN[C@H]21 ZINC001162445008 779858810 /nfs/dbraw/zinc/85/88/10/779858810.db2.gz RSUYZMPUTTYCFU-JXUBOQSCSA-N 1 1 303.729 -1.246 20 0 DAADMO [NH3+][C@@H]1NCN([C@H](F)Oc2cncc(Cl)n2)[C@H]2NCN[C@H]21 ZINC001162445007 779858942 /nfs/dbraw/zinc/85/89/42/779858942.db2.gz RSUYZMPUTTYCFU-JLIMGVALSA-N 1 1 303.729 -1.246 20 0 DAADMO Cc1nc(-n2cncn2)cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162444500 779858950 /nfs/dbraw/zinc/85/89/50/779858950.db2.gz PCCCHHDOAAIHBP-SRVKXCTJSA-N 1 1 302.346 -2.137 20 0 DAADMO CCOC(=O)c1cnc(CC)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162444840 779859016 /nfs/dbraw/zinc/85/90/16/779859016.db2.gz QPSDSQCXSQXLPD-MDZLAQPJSA-N 1 1 321.385 -1.287 20 0 DAADMO Cc1cc2c(c(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n1)C(=O)NC2=O ZINC001162445001 779859143 /nfs/dbraw/zinc/85/91/43/779859143.db2.gz DKKJEDLXJAMTRT-WCABBAIRSA-N 1 1 303.326 -2.229 20 0 DAADMO COc1cnc2c(c1)ncnc2N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162449556 779859653 /nfs/dbraw/zinc/85/96/53/779859653.db2.gz VUXBNQQYEOJQLX-NTZNESFSSA-N 1 1 302.342 -1.470 20 0 DAADMO COc1cnc2c(c1)ncnc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162449554 779859823 /nfs/dbraw/zinc/85/98/23/779859823.db2.gz VUXBNQQYEOJQLX-GVXVVHGQSA-N 1 1 302.342 -1.470 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCCCC3)ncn2)[C@@H]2NCN[C@@H]21 ZINC001162449652 779860198 /nfs/dbraw/zinc/86/01/98/779860198.db2.gz WQHFTYNOPCOMKO-MCIONIFRSA-N 1 1 304.402 -1.036 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2NCN[C@H]21 ZINC001162446218 779860369 /nfs/dbraw/zinc/86/03/69/779860369.db2.gz HMYSLIAOITUCSD-MJBXVCDLSA-N 1 1 317.397 -1.186 20 0 DAADMO CC(C)n1cnc2cnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nc21 ZINC001162449352 779860599 /nfs/dbraw/zinc/86/05/99/779860599.db2.gz VDQZIYNGSBTQLT-SCVCMEIPSA-N 1 1 303.374 -1.096 20 0 DAADMO COc1cnc2c(c1)ncnc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162449553 779860773 /nfs/dbraw/zinc/86/07/73/779860773.db2.gz VUXBNQQYEOJQLX-GMXVVIOVSA-N 1 1 302.342 -1.470 20 0 DAADMO Cc1nc2c(nc(Cl)nc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1C ZINC001162450270 779862052 /nfs/dbraw/zinc/86/20/52/779862052.db2.gz ZMAMIGLXDGPESV-CNUIFLNQSA-N 1 1 323.792 -1.178 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)[C@H]2CCNC2=O)n1 ZINC001163943928 779874473 /nfs/dbraw/zinc/87/44/73/779874473.db2.gz QJHOFRNUMXPDKW-SECBINFHSA-N 1 1 310.358 -1.132 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)c2nnn(C)n2)n1 ZINC001164148198 779876052 /nfs/dbraw/zinc/87/60/52/779876052.db2.gz LAIJDAPNBGZSER-UHFFFAOYSA-N 1 1 310.318 -1.351 20 0 DAADMO CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001164535734 779878965 /nfs/dbraw/zinc/87/89/65/779878965.db2.gz CUWWGFYZYDXACL-GFCCVEGCSA-N 1 1 300.403 -1.063 20 0 DAADMO O=C1CN(C2CN(c3cc[nH+]c(N4CCOCC4)n3)C2)CCN1 ZINC001165115227 779880383 /nfs/dbraw/zinc/88/03/83/779880383.db2.gz XGCRQKBUGKEULK-UHFFFAOYSA-N 1 1 318.381 -1.066 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001165465980 779883655 /nfs/dbraw/zinc/88/36/55/779883655.db2.gz CTTCECNWRGWFLZ-QMMMGPOBSA-N 1 1 312.330 -1.507 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)C2(C(N)=O)CC2)n1 ZINC001165596567 779886344 /nfs/dbraw/zinc/88/63/44/779886344.db2.gz PQJDIDOJJYFQNX-UHFFFAOYSA-N 1 1 310.358 -1.003 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001165731562 779887117 /nfs/dbraw/zinc/88/71/17/779887117.db2.gz HBLQIJHVUQERCS-NSHDSACASA-N 1 1 310.358 -1.962 20 0 DAADMO CCNS(=O)(=O)c1cccnc1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC001166725517 779892409 /nfs/dbraw/zinc/89/24/09/779892409.db2.gz OBRZNPUQARTZFS-SECBINFHSA-N 1 1 313.383 -1.357 20 0 DAADMO NC(=O)[C@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)CC[NH2+]1 ZINC001166726022 779893767 /nfs/dbraw/zinc/89/37/67/779893767.db2.gz UVWPGLFZDFWMLP-MRVPVSSYSA-N 1 1 319.774 -1.354 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)C12CCC2 ZINC001203499454 779895481 /nfs/dbraw/zinc/89/54/81/779895481.db2.gz GLXCUENVXRFAQH-HTQZYQBOSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 ZINC001203499454 779895484 /nfs/dbraw/zinc/89/54/84/779895484.db2.gz GLXCUENVXRFAQH-HTQZYQBOSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C12CCC2 ZINC001203499455 779895737 /nfs/dbraw/zinc/89/57/37/779895737.db2.gz GLXCUENVXRFAQH-JGVFFNPUSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C12CCC2 ZINC001203499455 779895739 /nfs/dbraw/zinc/89/57/39/779895739.db2.gz GLXCUENVXRFAQH-JGVFFNPUSA-N 1 1 321.341 -1.370 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]nn1 ZINC001166948798 779896045 /nfs/dbraw/zinc/89/60/45/779896045.db2.gz FOHUOHKRVZDBLM-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1cnn[nH]1 ZINC001166948798 779896049 /nfs/dbraw/zinc/89/60/49/779896049.db2.gz FOHUOHKRVZDBLM-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001203277892 779896366 /nfs/dbraw/zinc/89/63/66/779896366.db2.gz PXYZBEGLJCHKRD-UHFFFAOYSA-N 1 1 315.399 -1.028 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)CNC(N)=O)CC2)n1 ZINC001204442955 779900103 /nfs/dbraw/zinc/90/01/03/779900103.db2.gz BJHUITMZTBWOJC-UHFFFAOYSA-N 1 1 310.362 -1.793 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205715426 779902909 /nfs/dbraw/zinc/90/29/09/779902909.db2.gz MOQKYMRORRADDR-KXUCPTDWSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC)C1 ZINC001205715426 779902914 /nfs/dbraw/zinc/90/29/14/779902914.db2.gz MOQKYMRORRADDR-KXUCPTDWSA-N 1 1 300.359 -1.087 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001205838955 779904204 /nfs/dbraw/zinc/90/42/04/779904204.db2.gz HEBRWDJAJALKEI-NTZNESFSSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001205815350 779904266 /nfs/dbraw/zinc/90/42/66/779904266.db2.gz KSWXGYSHZRLLQH-RKDXNWHRSA-N 1 1 312.326 -1.494 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC001205815350 779904271 /nfs/dbraw/zinc/90/42/71/779904271.db2.gz KSWXGYSHZRLLQH-RKDXNWHRSA-N 1 1 312.326 -1.494 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205895632 779905029 /nfs/dbraw/zinc/90/50/29/779905029.db2.gz CNZYHFMREIUFNI-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205978679 779906078 /nfs/dbraw/zinc/90/60/78/779906078.db2.gz YVRMKILOODYLQA-GMTAPVOTSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001205978679 779906082 /nfs/dbraw/zinc/90/60/82/779906082.db2.gz YVRMKILOODYLQA-GMTAPVOTSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CNC(N)=O ZINC001205943730 779906194 /nfs/dbraw/zinc/90/61/94/779906194.db2.gz DWOJSJFTBOSUJP-GMTAPVOTSA-N 1 1 321.385 -1.130 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C2)n1 ZINC001205937809 779906821 /nfs/dbraw/zinc/90/68/21/779906821.db2.gz XASMIKRELVQHGY-BXKDBHETSA-N 1 1 323.401 -1.000 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CNC(N)=O ZINC001205922481 779906856 /nfs/dbraw/zinc/90/68/56/779906856.db2.gz ZDOPDOIVNFLXJT-IJLUTSLNSA-N 1 1 324.385 -1.651 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001206130589 779907482 /nfs/dbraw/zinc/90/74/82/779907482.db2.gz RXSJAWDHHRWNLI-KGYLQXTDSA-N 1 1 301.387 -1.092 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)c1 ZINC001206294144 779907813 /nfs/dbraw/zinc/90/78/13/779907813.db2.gz FBTRKZCQRADTIA-GHMZBOCLSA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)c1 ZINC001206294144 779907819 /nfs/dbraw/zinc/90/78/19/779907819.db2.gz FBTRKZCQRADTIA-GHMZBOCLSA-N 1 1 322.369 -1.177 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206306947 779908482 /nfs/dbraw/zinc/90/84/82/779908482.db2.gz RXEVVVGGHMFRFB-KXUCPTDWSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001206306947 779908488 /nfs/dbraw/zinc/90/84/88/779908488.db2.gz RXEVVVGGHMFRFB-KXUCPTDWSA-N 1 1 300.359 -1.087 20 0 DAADMO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586215 779909845 /nfs/dbraw/zinc/90/98/45/779909845.db2.gz RROLCGBHQJBBRC-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206746866 779910279 /nfs/dbraw/zinc/91/02/79/779910279.db2.gz TWACKAKOSRRMBH-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206746866 779910285 /nfs/dbraw/zinc/91/02/85/779910285.db2.gz TWACKAKOSRRMBH-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206726834 779910830 /nfs/dbraw/zinc/91/08/30/779910830.db2.gz VSYBPBILHLCRKC-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)CC(N)=O ZINC001206726834 779910833 /nfs/dbraw/zinc/91/08/33/779910833.db2.gz VSYBPBILHLCRKC-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001206698778 779911142 /nfs/dbraw/zinc/91/11/42/779911142.db2.gz MAFRQWNMXSNTRR-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001206726993 779911390 /nfs/dbraw/zinc/91/13/90/779911390.db2.gz YTURMDUSHHZMNP-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1)CS(C)(=O)=O ZINC001206726993 779911396 /nfs/dbraw/zinc/91/13/96/779911396.db2.gz YTURMDUSHHZMNP-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001206901735 779911995 /nfs/dbraw/zinc/91/19/95/779911995.db2.gz KYJNDKYUAXHGPW-RKDXNWHRSA-N 1 1 313.358 -1.985 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001206901735 779912001 /nfs/dbraw/zinc/91/20/01/779912001.db2.gz KYJNDKYUAXHGPW-RKDXNWHRSA-N 1 1 313.358 -1.985 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1C ZINC001206901831 779912070 /nfs/dbraw/zinc/91/20/70/779912070.db2.gz PIPVKTJOYRCKMH-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001206900940 779912846 /nfs/dbraw/zinc/91/28/46/779912846.db2.gz YHDINHAPCSTNBG-IWSPIJDZSA-N 1 1 313.358 -1.858 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001206900940 779912850 /nfs/dbraw/zinc/91/28/50/779912850.db2.gz YHDINHAPCSTNBG-IWSPIJDZSA-N 1 1 313.358 -1.858 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001206900432 779913129 /nfs/dbraw/zinc/91/31/29/779913129.db2.gz CHQPXEBQMYNICZ-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001206900432 779913134 /nfs/dbraw/zinc/91/31/34/779913134.db2.gz CHQPXEBQMYNICZ-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882696 779913257 /nfs/dbraw/zinc/91/32/57/779913257.db2.gz YPBMWNIISMICRW-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882696 779913261 /nfs/dbraw/zinc/91/32/61/779913261.db2.gz YPBMWNIISMICRW-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001206881200 779913290 /nfs/dbraw/zinc/91/32/90/779913290.db2.gz TXERRNNIZBWMPO-MGPQQGTHSA-N 1 1 315.414 -1.238 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001206905373 779913931 /nfs/dbraw/zinc/91/39/31/779913931.db2.gz RZSIDIHNLBLMCN-OUAUKWLOSA-N 1 1 309.374 -1.229 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206903302 779914107 /nfs/dbraw/zinc/91/41/07/779914107.db2.gz WIOVZIIRJKILLF-BBBLOLIVSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001206933584 779915876 /nfs/dbraw/zinc/91/58/76/779915876.db2.gz BPLLUCYFTIXQKU-VXGBXAGGSA-N 1 1 316.402 -1.249 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976976 779916060 /nfs/dbraw/zinc/91/60/60/779916060.db2.gz MXRCTWGBRMWZFL-IWSPIJDZSA-N 1 1 324.345 -2.307 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976976 779916067 /nfs/dbraw/zinc/91/60/67/779916067.db2.gz MXRCTWGBRMWZFL-IWSPIJDZSA-N 1 1 324.345 -2.307 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001206964796 779916250 /nfs/dbraw/zinc/91/62/50/779916250.db2.gz AZKLGUVZBSYLTF-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001206964796 779916253 /nfs/dbraw/zinc/91/62/53/779916253.db2.gz AZKLGUVZBSYLTF-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001206970562 779916493 /nfs/dbraw/zinc/91/64/93/779916493.db2.gz WEBCNGPKIKKBGU-GHMZBOCLSA-N 1 1 322.431 -1.847 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001207066519 779917132 /nfs/dbraw/zinc/91/71/32/779917132.db2.gz PMDITCHRXRWPEB-GMTAPVOTSA-N 1 1 314.386 -1.680 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001207066519 779917139 /nfs/dbraw/zinc/91/71/39/779917139.db2.gz PMDITCHRXRWPEB-GMTAPVOTSA-N 1 1 314.386 -1.680 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207037664 779917579 /nfs/dbraw/zinc/91/75/79/779917579.db2.gz QLJKRPPAJLBIOJ-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207037664 779917584 /nfs/dbraw/zinc/91/75/84/779917584.db2.gz QLJKRPPAJLBIOJ-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccoc1 ZINC001207084927 779917694 /nfs/dbraw/zinc/91/76/94/779917694.db2.gz IVBGJERZUBBRIX-MWLCHTKSSA-N 1 1 308.338 -1.069 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccoc1 ZINC001207084927 779917700 /nfs/dbraw/zinc/91/77/00/779917700.db2.gz IVBGJERZUBBRIX-MWLCHTKSSA-N 1 1 308.338 -1.069 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207067117 779917867 /nfs/dbraw/zinc/91/78/67/779917867.db2.gz XKSOEBSBOAURDY-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207065604 779917899 /nfs/dbraw/zinc/91/78/99/779917899.db2.gz GLBXLLVDBRJVDI-OPRDCNLKSA-N 1 1 300.359 -1.941 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207065604 779917901 /nfs/dbraw/zinc/91/79/01/779917901.db2.gz GLBXLLVDBRJVDI-OPRDCNLKSA-N 1 1 300.359 -1.941 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207177000 779918765 /nfs/dbraw/zinc/91/87/65/779918765.db2.gz GFCUKEHVLQQEQO-MWLCHTKSSA-N 1 1 309.374 -1.185 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207176996 779918971 /nfs/dbraw/zinc/91/89/71/779918971.db2.gz GFCUKEHVLQQEQO-GXSJLCMTSA-N 1 1 309.374 -1.185 20 0 DAADMO NC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001207258895 779919282 /nfs/dbraw/zinc/91/92/82/779919282.db2.gz UMGOVKLJILBVGG-VIFPVBQESA-N 1 1 322.373 -1.243 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207307754 779919753 /nfs/dbraw/zinc/91/97/53/779919753.db2.gz ZOFIPDJFYLTMTP-OUAUKWLOSA-N 1 1 314.386 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207307754 779919759 /nfs/dbraw/zinc/91/97/59/779919759.db2.gz ZOFIPDJFYLTMTP-OUAUKWLOSA-N 1 1 314.386 -1.599 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207299293 779919797 /nfs/dbraw/zinc/91/97/97/779919797.db2.gz XXAFJJAETYVPFQ-OUAUKWLOSA-N 1 1 314.386 -1.551 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001207299293 779919807 /nfs/dbraw/zinc/91/98/07/779919807.db2.gz XXAFJJAETYVPFQ-OUAUKWLOSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207299145 779919964 /nfs/dbraw/zinc/91/99/64/779919964.db2.gz WLPAZFNTWRLBKG-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207299145 779919970 /nfs/dbraw/zinc/91/99/70/779919970.db2.gz WLPAZFNTWRLBKG-KXUCPTDWSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207298900 779920193 /nfs/dbraw/zinc/92/01/93/779920193.db2.gz QVZQKSZWNLJMEE-GMTAPVOTSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307637 779920557 /nfs/dbraw/zinc/92/05/57/779920557.db2.gz YNGAVIXLHOHNOQ-KXUCPTDWSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207307637 779920558 /nfs/dbraw/zinc/92/05/58/779920558.db2.gz YNGAVIXLHOHNOQ-KXUCPTDWSA-N 1 1 320.415 -1.812 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001207274627 779920587 /nfs/dbraw/zinc/92/05/87/779920587.db2.gz WPXYJUISKKRONY-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001207364955 779921261 /nfs/dbraw/zinc/92/12/61/779921261.db2.gz LORQGBZENXWPML-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001207364955 779921268 /nfs/dbraw/zinc/92/12/68/779921268.db2.gz LORQGBZENXWPML-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC001207530158 779921815 /nfs/dbraw/zinc/92/18/15/779921815.db2.gz IBYKZSDDYRBSMN-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207542003 779923252 /nfs/dbraw/zinc/92/32/52/779923252.db2.gz ULARSJSJIBRLCQ-VIFPVBQESA-N 1 1 311.346 -1.353 20 0 DAADMO COCCOCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207714212 779924286 /nfs/dbraw/zinc/92/42/86/779924286.db2.gz HWOHSJIRJRPCBR-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001207733733 779924414 /nfs/dbraw/zinc/92/44/14/779924414.db2.gz DFRMPLRHYFDDGQ-ZYHUDNBSSA-N 1 1 314.386 -1.942 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207728956 779925404 /nfs/dbraw/zinc/92/54/04/779925404.db2.gz YENBUYQKRAKJJJ-IJLUTSLNSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001207728956 779925405 /nfs/dbraw/zinc/92/54/05/779925405.db2.gz YENBUYQKRAKJJJ-IJLUTSLNSA-N 1 1 322.427 -1.135 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001207740671 779926674 /nfs/dbraw/zinc/92/66/74/779926674.db2.gz ZGUAMRDKODKTCB-JFGNBEQYSA-N 1 1 314.386 -1.944 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001207796694 779926704 /nfs/dbraw/zinc/92/67/04/779926704.db2.gz ZUDYIVFTKKFKFM-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207902859 779928678 /nfs/dbraw/zinc/92/86/78/779928678.db2.gz WYYHZMTZPVJKTA-DTWKUNHWSA-N 1 1 310.362 -1.653 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001207909172 779930637 /nfs/dbraw/zinc/93/06/37/779930637.db2.gz OTTPRAPMORVBOU-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088370995 779930875 /nfs/dbraw/zinc/93/08/75/779930875.db2.gz ZNDNLPUFBJOIOD-NSHDSACASA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001208042411 779931859 /nfs/dbraw/zinc/93/18/59/779931859.db2.gz ZHSGAQWBFOZBSK-VXGBXAGGSA-N 1 1 324.381 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1C ZINC001208139190 779933035 /nfs/dbraw/zinc/93/30/35/779933035.db2.gz SYEVZKSGBJHIFB-GMTAPVOTSA-N 1 1 322.431 -1.488 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1C ZINC001208138009 779933050 /nfs/dbraw/zinc/93/30/50/779933050.db2.gz GLVZHRGBKYIALD-GMTAPVOTSA-N 1 1 322.431 -1.488 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001208074100 779933448 /nfs/dbraw/zinc/93/34/48/779933448.db2.gz PFKBWDQKEKJNCD-IJLUTSLNSA-N 1 1 311.386 -1.211 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)S(N)(=O)=O ZINC001208105883 779933603 /nfs/dbraw/zinc/93/36/03/779933603.db2.gz RAORNNAXOUJCSW-MXWKQRLJSA-N 1 1 307.416 -1.128 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001208286608 779935722 /nfs/dbraw/zinc/93/57/22/779935722.db2.gz YPTWPAUMRWSDKG-UWVGGRQHSA-N 1 1 324.389 -1.219 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001208279143 779936265 /nfs/dbraw/zinc/93/62/65/779936265.db2.gz ITXYEXQORXDODO-SECBINFHSA-N 1 1 310.362 -1.780 20 0 DAADMO COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001208281618 779936346 /nfs/dbraw/zinc/93/63/46/779936346.db2.gz REFSNRQERWOBBS-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001208275724 779936548 /nfs/dbraw/zinc/93/65/48/779936548.db2.gz UTCRUYXMMBWEML-BWVDBABLSA-N 1 1 323.357 -1.253 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001208275724 779936551 /nfs/dbraw/zinc/93/65/51/779936551.db2.gz UTCRUYXMMBWEML-BWVDBABLSA-N 1 1 323.357 -1.253 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001208357301 779937741 /nfs/dbraw/zinc/93/77/41/779937741.db2.gz RFECYRYAXOYGKC-GPTQDWHKSA-N 1 1 310.354 -1.490 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001208357301 779937749 /nfs/dbraw/zinc/93/77/49/779937749.db2.gz RFECYRYAXOYGKC-GPTQDWHKSA-N 1 1 310.354 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208445183 779939313 /nfs/dbraw/zinc/93/93/13/779939313.db2.gz VILFTDAFVZAJGX-ADEWGFFLSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208445183 779939319 /nfs/dbraw/zinc/93/93/19/779939319.db2.gz VILFTDAFVZAJGX-ADEWGFFLSA-N 1 1 323.397 -1.370 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444716 779939808 /nfs/dbraw/zinc/93/98/08/779939808.db2.gz HLMSSFSUWHGXKM-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001208444716 779939815 /nfs/dbraw/zinc/93/98/15/779939815.db2.gz HLMSSFSUWHGXKM-GMTAPVOTSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208461421 779940547 /nfs/dbraw/zinc/94/05/47/779940547.db2.gz KKSDEVVBQPTWSE-MXWKQRLJSA-N 1 1 308.382 -1.033 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455236 779940653 /nfs/dbraw/zinc/94/06/53/779940653.db2.gz HIKVYHPOSYSFCZ-GRYCIOLGSA-N 1 1 301.387 -1.058 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC001208809126 779944509 /nfs/dbraw/zinc/94/45/09/779944509.db2.gz IZIMIDGUIGJIHT-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC001208809126 779944514 /nfs/dbraw/zinc/94/45/14/779944514.db2.gz IZIMIDGUIGJIHT-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001208976239 779944857 /nfs/dbraw/zinc/94/48/57/779944857.db2.gz GXZQICVCVKLGEL-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001208976237 779944914 /nfs/dbraw/zinc/94/49/14/779944914.db2.gz GXZQICVCVKLGEL-UWVGGRQHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208970482 779945005 /nfs/dbraw/zinc/94/50/05/779945005.db2.gz FGDZXWUSSJBRFE-NXEZZACHSA-N 1 1 308.404 -2.189 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208985110 779946040 /nfs/dbraw/zinc/94/60/40/779946040.db2.gz NZDLKEKZDVHVBX-OUAUKWLOSA-N 1 1 322.431 -1.800 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208971724 779946095 /nfs/dbraw/zinc/94/60/95/779946095.db2.gz RVTXMWMXGBFYIM-GHMZBOCLSA-N 1 1 322.431 -1.535 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](O)[C@H](CO)C2)O1 ZINC001209269743 779947460 /nfs/dbraw/zinc/94/74/60/779947460.db2.gz AUAAYTXPGAYWOE-IEECTRCBSA-N 1 1 305.371 -1.465 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001209254284 779947609 /nfs/dbraw/zinc/94/76/09/779947609.db2.gz MAZIYTCQJNRKPD-UTUOFQBUSA-N 1 1 321.443 -1.011 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)O1 ZINC001209269745 779948156 /nfs/dbraw/zinc/94/81/56/779948156.db2.gz AUAAYTXPGAYWOE-NJMOYASZSA-N 1 1 305.371 -1.465 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209275228 779948654 /nfs/dbraw/zinc/94/86/54/779948654.db2.gz QQWLROQOJKNMQP-GMTAPVOTSA-N 1 1 324.381 -1.294 20 0 DAADMO CN1C[C@@H]2C[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H]2C1=O ZINC001209271631 779949155 /nfs/dbraw/zinc/94/91/55/779949155.db2.gz BMFUZESITTVSSU-RXGFPQBGSA-N 1 1 314.382 -1.120 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)O1 ZINC001209271465 779949347 /nfs/dbraw/zinc/94/93/47/779949347.db2.gz WFFFOIZREKRXKO-WPLOAARJSA-N 1 1 319.398 -1.075 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)O1 ZINC001209276052 779949421 /nfs/dbraw/zinc/94/94/21/779949421.db2.gz QBPSFMYGNFKSHL-IEECTRCBSA-N 1 1 314.382 -1.072 20 0 DAADMO CN1CCO[C@H]2C[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@H]21 ZINC001209275152 779949465 /nfs/dbraw/zinc/94/94/65/779949465.db2.gz YKQLCTRJGKRXLN-PEBLQZBPSA-N 1 1 316.398 -1.126 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCNC2=O)C2CC2)n1 ZINC001276633110 779951248 /nfs/dbraw/zinc/95/12/48/779951248.db2.gz CLBKNRAXDSELHP-NWDGAFQWSA-N 1 1 306.370 -1.064 20 0 DAADMO CN1CC(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)=NC1=O ZINC001209434190 779952222 /nfs/dbraw/zinc/95/22/22/779952222.db2.gz ULQUSMQOEWYODM-MRVPVSSYSA-N 1 1 324.341 -1.485 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001209424246 779952527 /nfs/dbraw/zinc/95/25/27/779952527.db2.gz GAYZBJUYNJVDBQ-MWLCHTKSSA-N 1 1 324.381 -1.388 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001209424246 779952534 /nfs/dbraw/zinc/95/25/34/779952534.db2.gz GAYZBJUYNJVDBQ-MWLCHTKSSA-N 1 1 324.381 -1.388 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC001209691907 779954435 /nfs/dbraw/zinc/95/44/35/779954435.db2.gz ZRXBSITZVJOHHF-SNVBAGLBSA-N 1 1 323.357 -1.487 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC001209691907 779954440 /nfs/dbraw/zinc/95/44/40/779954440.db2.gz ZRXBSITZVJOHHF-SNVBAGLBSA-N 1 1 323.357 -1.487 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722941 779956072 /nfs/dbraw/zinc/95/60/72/779956072.db2.gz NQLFKUPKSKUKHL-VXGBXAGGSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722726 779957308 /nfs/dbraw/zinc/95/73/08/779957308.db2.gz JWRKLQSFADMLJH-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209722726 779957314 /nfs/dbraw/zinc/95/73/14/779957314.db2.gz JWRKLQSFADMLJH-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209929339 779957828 /nfs/dbraw/zinc/95/78/28/779957828.db2.gz RIOWVNPLMNMFKI-GMTAPVOTSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209929339 779957832 /nfs/dbraw/zinc/95/78/32/779957832.db2.gz RIOWVNPLMNMFKI-GMTAPVOTSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209929341 779958581 /nfs/dbraw/zinc/95/85/81/779958581.db2.gz RIOWVNPLMNMFKI-OUAUKWLOSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001209929341 779958588 /nfs/dbraw/zinc/95/85/88/779958588.db2.gz RIOWVNPLMNMFKI-OUAUKWLOSA-N 1 1 324.385 -1.358 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001210124374 779959577 /nfs/dbraw/zinc/95/95/77/779959577.db2.gz CBQWSCGUOLTCLM-SNVBAGLBSA-N 1 1 321.385 -1.183 20 0 DAADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001210206698 779959602 /nfs/dbraw/zinc/95/96/02/779959602.db2.gz RGPJQMKTPHZVFL-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001210173243 779960017 /nfs/dbraw/zinc/96/00/17/779960017.db2.gz UFAUOAVEXPUPOV-HRDYMLBCSA-N 1 1 323.357 -1.633 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001210173243 779960020 /nfs/dbraw/zinc/96/00/20/779960020.db2.gz UFAUOAVEXPUPOV-HRDYMLBCSA-N 1 1 323.357 -1.633 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210606133 779962835 /nfs/dbraw/zinc/96/28/35/779962835.db2.gz ZWXMODWTUGDYNB-LDYMZIIASA-N 1 1 322.369 -1.108 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210606133 779962840 /nfs/dbraw/zinc/96/28/40/779962840.db2.gz ZWXMODWTUGDYNB-LDYMZIIASA-N 1 1 322.369 -1.108 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001210683947 779963328 /nfs/dbraw/zinc/96/33/28/779963328.db2.gz MSDBXNINQNCAPS-GHMZBOCLSA-N 1 1 307.416 -1.039 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001210604744 779963395 /nfs/dbraw/zinc/96/33/95/779963395.db2.gz NXZUAAMQUYZMCP-WZRBSPASSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCNC(N)=O ZINC001210890057 779964759 /nfs/dbraw/zinc/96/47/59/779964759.db2.gz DUGZWPUKXAPPKV-GHMZBOCLSA-N 1 1 302.375 -1.510 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210898250 779964993 /nfs/dbraw/zinc/96/49/93/779964993.db2.gz SBBPPPNUICXFQM-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001210877956 779965191 /nfs/dbraw/zinc/96/51/91/779965191.db2.gz SZOXJXCLFLQIRN-HRDYMLBCSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001210877956 779965199 /nfs/dbraw/zinc/96/51/99/779965199.db2.gz SZOXJXCLFLQIRN-HRDYMLBCSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001210877957 779965536 /nfs/dbraw/zinc/96/55/36/779965536.db2.gz SZOXJXCLFLQIRN-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001210877957 779965540 /nfs/dbraw/zinc/96/55/40/779965540.db2.gz SZOXJXCLFLQIRN-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001211038384 779966040 /nfs/dbraw/zinc/96/60/40/779966040.db2.gz IRNNGDXVKIBDSM-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211001860 779966231 /nfs/dbraw/zinc/96/62/31/779966231.db2.gz OTXWZVCCZCQVOQ-SECBINFHSA-N 1 1 310.362 -1.651 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211001864 779966249 /nfs/dbraw/zinc/96/62/49/779966249.db2.gz PCBGXGUCGLIFSO-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211001865 779966269 /nfs/dbraw/zinc/96/62/69/779966269.db2.gz PCBGXGUCGLIFSO-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211000332 779966340 /nfs/dbraw/zinc/96/63/40/779966340.db2.gz AQGWJRNVHXUUMV-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211001861 779966415 /nfs/dbraw/zinc/96/64/15/779966415.db2.gz OTXWZVCCZCQVOQ-VIFPVBQESA-N 1 1 310.362 -1.651 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1 ZINC001211001549 779967261 /nfs/dbraw/zinc/96/72/61/779967261.db2.gz MQTBQPCGMDFAGM-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001211083278 779967935 /nfs/dbraw/zinc/96/79/35/779967935.db2.gz CHTAAOQGCQYRIT-GMTAPVOTSA-N 1 1 323.415 -2.021 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001211126704 779968058 /nfs/dbraw/zinc/96/80/58/779968058.db2.gz UPPXDTPJNPHZSJ-VIFPVBQESA-N 1 1 317.371 -1.301 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001211458455 779969096 /nfs/dbraw/zinc/96/90/96/779969096.db2.gz IRDLPWLMGDYQRB-RKDXNWHRSA-N 1 1 313.358 -1.727 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001211458455 779969099 /nfs/dbraw/zinc/96/90/99/779969099.db2.gz IRDLPWLMGDYQRB-RKDXNWHRSA-N 1 1 313.358 -1.727 20 0 DAADMO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211301410 779969360 /nfs/dbraw/zinc/96/93/60/779969360.db2.gz VSCPELVESBUKDJ-GHMZBOCLSA-N 1 1 312.349 -1.200 20 0 DAADMO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211301410 779969365 /nfs/dbraw/zinc/96/93/65/779969365.db2.gz VSCPELVESBUKDJ-GHMZBOCLSA-N 1 1 312.349 -1.200 20 0 DAADMO COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001211343894 779969760 /nfs/dbraw/zinc/96/97/60/779969760.db2.gz RECLMCJMFJOSOX-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001211343751 779970291 /nfs/dbraw/zinc/97/02/91/779970291.db2.gz KECBIHLFGODLKD-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211300573 779970392 /nfs/dbraw/zinc/97/03/92/779970392.db2.gz NKEBMLJQDLWYNF-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1OC ZINC001213219392 779971091 /nfs/dbraw/zinc/97/10/91/779971091.db2.gz QFKYQYMAYYQVFY-GHMZBOCLSA-N 1 1 322.431 -1.488 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@H](OC)C1 ZINC001213250465 779971575 /nfs/dbraw/zinc/97/15/75/779971575.db2.gz BNXCRRWLBSFMOG-HBNTYKKESA-N 1 1 313.358 -1.451 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncn2C)[C@H](OC)C1 ZINC001213129688 779971656 /nfs/dbraw/zinc/97/16/56/779971656.db2.gz ZGJFCKMPCFKJPP-NQBHXWOUSA-N 1 1 312.370 -1.144 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001213344370 779973299 /nfs/dbraw/zinc/97/32/99/779973299.db2.gz NRIGYNMQGPLQAK-QJPTWQEYSA-N 1 1 314.386 -1.092 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001276700828 779973422 /nfs/dbraw/zinc/97/34/22/779973422.db2.gz QMFHIBKLAOYEKG-AATLWQCWSA-N 1 1 323.353 -2.389 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001213275711 779973639 /nfs/dbraw/zinc/97/36/39/779973639.db2.gz PWVSPWVCOBNWMS-OPRDCNLKSA-N 1 1 314.346 -2.354 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001213275711 779973642 /nfs/dbraw/zinc/97/36/42/779973642.db2.gz PWVSPWVCOBNWMS-OPRDCNLKSA-N 1 1 314.346 -2.354 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001213275704 779973692 /nfs/dbraw/zinc/97/36/92/779973692.db2.gz PLAQEHXVZRIJQL-HBNTYKKESA-N 1 1 312.374 -1.200 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001213357257 779975092 /nfs/dbraw/zinc/97/50/92/779975092.db2.gz LLDDHBUUBGHJTJ-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C(N)=O ZINC001213352790 779975808 /nfs/dbraw/zinc/97/58/08/779975808.db2.gz DOGMAAAMDCIOJB-QJPTWQEYSA-N 1 1 315.370 -1.517 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C(N)=O ZINC001213352790 779975814 /nfs/dbraw/zinc/97/58/14/779975814.db2.gz DOGMAAAMDCIOJB-QJPTWQEYSA-N 1 1 315.370 -1.517 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001213454168 779976619 /nfs/dbraw/zinc/97/66/19/779976619.db2.gz RPOURWJGEFVEMH-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CN1CCN(S(=O)(=O)NCC[N@H+](C)CCOCCO)CC1 ZINC001213512815 779978571 /nfs/dbraw/zinc/97/85/71/779978571.db2.gz UUSOFOKMABCNES-UHFFFAOYSA-N 1 1 324.447 -1.991 20 0 DAADMO CN1CCN(S(=O)(=O)NCC[N@@H+](C)CCOCCO)CC1 ZINC001213512815 779978577 /nfs/dbraw/zinc/97/85/77/779978577.db2.gz UUSOFOKMABCNES-UHFFFAOYSA-N 1 1 324.447 -1.991 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001213620692 779980322 /nfs/dbraw/zinc/98/03/22/779980322.db2.gz VOHICRVOQWAMDL-YNEHKIRRSA-N 1 1 324.385 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@H](OC)C1 ZINC001213596766 779981320 /nfs/dbraw/zinc/98/13/20/779981320.db2.gz KGRAAWLWBIUEFU-RAIGVLPGSA-N 1 1 310.354 -1.087 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncccn2)[C@H](OC)C1 ZINC001213602306 779981435 /nfs/dbraw/zinc/98/14/35/779981435.db2.gz FISALLWPEIWJPM-IJLUTSLNSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001213646159 779982734 /nfs/dbraw/zinc/98/27/34/779982734.db2.gz IFKASWFKQONRMO-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@H](OC)C1 ZINC001213664945 779983369 /nfs/dbraw/zinc/98/33/69/779983369.db2.gz BAGMQEMYTPGJDC-FDYHWXHSSA-N 1 1 302.371 -1.154 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798369 779985171 /nfs/dbraw/zinc/98/51/71/779985171.db2.gz DGNOUHJNTBDCBI-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213831521 779985064 /nfs/dbraw/zinc/98/50/64/779985064.db2.gz WZIISLLFCZHIBK-GMTAPVOTSA-N 1 1 318.374 -2.133 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798369 779985164 /nfs/dbraw/zinc/98/51/64/779985164.db2.gz DGNOUHJNTBDCBI-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798368 779985527 /nfs/dbraw/zinc/98/55/27/779985527.db2.gz DGNOUHJNTBDCBI-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213798368 779985531 /nfs/dbraw/zinc/98/55/31/779985531.db2.gz DGNOUHJNTBDCBI-GMTAPVOTSA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCS(=O)(=O)N(C)C ZINC001213905885 779986767 /nfs/dbraw/zinc/98/67/67/779986767.db2.gz RKKLZONWZDBBHX-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](OC)C1 ZINC001213912000 779986865 /nfs/dbraw/zinc/98/68/65/779986865.db2.gz MODHUSHBNUKKJO-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1OC ZINC001213874261 779987307 /nfs/dbraw/zinc/98/73/07/779987307.db2.gz LZYJDBQIYXJGIG-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213874261 779987313 /nfs/dbraw/zinc/98/73/13/779987313.db2.gz LZYJDBQIYXJGIG-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](OC)C1 ZINC001213917820 779987504 /nfs/dbraw/zinc/98/75/04/779987504.db2.gz KWGMELCKOJJFMM-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 ZINC001213981275 779987561 /nfs/dbraw/zinc/98/75/61/779987561.db2.gz BWBDHKWRHRCTJA-GMTAPVOTSA-N 1 1 314.342 -1.186 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@H](OC)C1 ZINC001213981275 779987567 /nfs/dbraw/zinc/98/75/67/779987567.db2.gz BWBDHKWRHRCTJA-GMTAPVOTSA-N 1 1 314.342 -1.186 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001276708104 779989153 /nfs/dbraw/zinc/98/91/53/779989153.db2.gz MYMAFPDERCIJGJ-XWLWVQCSSA-N 1 1 317.411 -1.554 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120742 779989737 /nfs/dbraw/zinc/98/97/37/779989737.db2.gz RUJXUPDHUDZRGS-NXEZZACHSA-N 1 1 309.374 -1.097 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214094748 779990269 /nfs/dbraw/zinc/99/02/69/779990269.db2.gz PPQFVHNRMCRYIE-WCABBAIRSA-N 1 1 309.374 -1.329 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214094747 779990712 /nfs/dbraw/zinc/99/07/12/779990712.db2.gz PPQFVHNRMCRYIE-FXPVBKGRSA-N 1 1 309.374 -1.329 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C)C(=O)NC(N)=O ZINC001214384495 779993827 /nfs/dbraw/zinc/99/38/27/779993827.db2.gz NVIUUWHGYRAVLZ-FXPVBKGRSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001214508540 779995707 /nfs/dbraw/zinc/99/57/07/779995707.db2.gz QDQSTNJGTIRMSW-WCABBAIRSA-N 1 1 309.374 -1.192 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001214504182 779995727 /nfs/dbraw/zinc/99/57/27/779995727.db2.gz QWIWNKRBOFQSBK-OPRDCNLKSA-N 1 1 309.374 -1.156 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001214504181 779996423 /nfs/dbraw/zinc/99/64/23/779996423.db2.gz QWIWNKRBOFQSBK-KXUCPTDWSA-N 1 1 309.374 -1.156 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214561933 779997912 /nfs/dbraw/zinc/99/79/12/779997912.db2.gz GGEMZOZNKZHEQK-NXEZZACHSA-N 1 1 324.389 -1.534 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001214790213 780001577 /nfs/dbraw/zinc/00/15/77/780001577.db2.gz FNBIQROEFGVLIZ-OPRDCNLKSA-N 1 1 324.389 -1.363 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215314103 780007404 /nfs/dbraw/zinc/00/74/04/780007404.db2.gz DQVWSGNWHIXKOJ-IVZWLZJFSA-N 1 1 309.374 -1.342 20 0 DAADMO C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215463266 780008455 /nfs/dbraw/zinc/00/84/55/780008455.db2.gz OXGRHTJYSXYHSQ-HTQZYQBOSA-N 1 1 324.341 -1.629 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216221113 780013032 /nfs/dbraw/zinc/01/30/32/780013032.db2.gz AYKPLCVFEMONKD-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001216715540 780014070 /nfs/dbraw/zinc/01/40/70/780014070.db2.gz GSUFNYOCLHYZLO-NXEZZACHSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C)c1nnnn1C ZINC001216722933 780014708 /nfs/dbraw/zinc/01/47/08/780014708.db2.gz JKYKESOUVYXJMB-KXUCPTDWSA-N 1 1 324.389 -1.234 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001217206942 780017741 /nfs/dbraw/zinc/01/77/41/780017741.db2.gz WXTKGHXBOOREAA-FRRDWIJNSA-N 1 1 324.381 -1.735 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(C)=O)[C@H]2C1 ZINC001217152307 780017878 /nfs/dbraw/zinc/01/78/78/780017878.db2.gz DUECSZAUGMEZTK-HZSPNIEDSA-N 1 1 302.371 -1.058 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217212022 780018026 /nfs/dbraw/zinc/01/80/26/780018026.db2.gz FTJLEZCWXSSZAE-GRYCIOLGSA-N 1 1 310.354 -2.077 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217212022 780018035 /nfs/dbraw/zinc/01/80/35/780018035.db2.gz FTJLEZCWXSSZAE-GRYCIOLGSA-N 1 1 310.354 -2.077 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001217315683 780019963 /nfs/dbraw/zinc/01/99/63/780019963.db2.gz CCLMEOFUKFXHNN-KGYLQXTDSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn[nH]3)[C@H]2C1 ZINC001217315683 780019971 /nfs/dbraw/zinc/01/99/71/780019971.db2.gz CCLMEOFUKFXHNN-KGYLQXTDSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001217315683 780019984 /nfs/dbraw/zinc/01/99/84/780019984.db2.gz CCLMEOFUKFXHNN-KGYLQXTDSA-N 1 1 310.354 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc[nH]n3)[C@H]2C1 ZINC001217315683 780019991 /nfs/dbraw/zinc/01/99/91/780019991.db2.gz CCLMEOFUKFXHNN-KGYLQXTDSA-N 1 1 310.354 -1.058 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001217266346 780020233 /nfs/dbraw/zinc/02/02/33/780020233.db2.gz ZRRKNBRQCLQTRM-WDEREUQCSA-N 1 1 323.357 -2.142 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001217266346 780020240 /nfs/dbraw/zinc/02/02/40/780020240.db2.gz ZRRKNBRQCLQTRM-WDEREUQCSA-N 1 1 323.357 -2.142 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248250 780020618 /nfs/dbraw/zinc/02/06/18/780020618.db2.gz BKRGHEWDZYPPFE-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217248755 780020645 /nfs/dbraw/zinc/02/06/45/780020645.db2.gz LGDCPZSYPPHIGZ-RWMBFGLXSA-N 1 1 324.385 -1.254 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001217249173 780021324 /nfs/dbraw/zinc/02/13/24/780021324.db2.gz RXIRPJRQAUGXCZ-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cccn3)[C@H]2C1 ZINC001217286109 780021645 /nfs/dbraw/zinc/02/16/45/780021645.db2.gz NQCFQCWQRBPLPW-MELADBBJSA-N 1 1 324.381 -1.198 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001217703137 780023927 /nfs/dbraw/zinc/02/39/27/780023927.db2.gz DBIOLNHINYYFDT-GARJFASQSA-N 1 1 300.359 -1.663 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001217712548 780024285 /nfs/dbraw/zinc/02/42/85/780024285.db2.gz DFCYTKGZYDQABZ-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001217712548 780024289 /nfs/dbraw/zinc/02/42/89/780024289.db2.gz DFCYTKGZYDQABZ-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001217713966 780025158 /nfs/dbraw/zinc/02/51/58/780025158.db2.gz VNKPZHBZDGYBQJ-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560915 780025219 /nfs/dbraw/zinc/02/52/19/780025219.db2.gz SEFKGLPAAZTOBR-OUAUKWLOSA-N 1 1 301.343 -2.219 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)cn3)[C@H]2C1 ZINC001217630791 780025460 /nfs/dbraw/zinc/02/54/60/780025460.db2.gz HDCIAGZUDSBMDN-FPMFFAJLSA-N 1 1 324.381 -1.047 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CCS(=O)(=O)NC)[C@H]2C1 ZINC001217894311 780026269 /nfs/dbraw/zinc/02/62/69/780026269.db2.gz BLOIJVVEHPQYIE-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001217795376 780026555 /nfs/dbraw/zinc/02/65/55/780026555.db2.gz WCMMIFHCQHHMES-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCOC3)[C@H]2C1 ZINC001218032559 780026829 /nfs/dbraw/zinc/02/68/29/780026829.db2.gz RDVQJYQQHGPRRC-XDQVBPFNSA-N 1 1 314.382 -1.058 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)NC(N)=O)[C@H]2C1 ZINC001217888167 780026945 /nfs/dbraw/zinc/02/69/45/780026945.db2.gz XZAWPGOUQVAHRH-GRYCIOLGSA-N 1 1 314.386 -1.009 20 0 DAADMO CNC(=O)NCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001217815537 780027309 /nfs/dbraw/zinc/02/73/09/780027309.db2.gz UPYJLMIIBQUOOU-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)NCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217815537 780027315 /nfs/dbraw/zinc/02/73/15/780027315.db2.gz UPYJLMIIBQUOOU-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001217916082 780027591 /nfs/dbraw/zinc/02/75/91/780027591.db2.gz VDMYXWRKJLKIAX-RWMBFGLXSA-N 1 1 324.385 -1.254 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001217915723 780027801 /nfs/dbraw/zinc/02/78/01/780027801.db2.gz SYZOJAGWTGIEFX-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]21 ZINC001218075704 780028888 /nfs/dbraw/zinc/02/88/88/780028888.db2.gz QOAMDBNSPVZHSF-GRYCIOLGSA-N 1 1 314.386 -1.138 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218056963 780029172 /nfs/dbraw/zinc/02/91/72/780029172.db2.gz FYBVRWVVWUHGOY-NWDGAFQWSA-N 1 1 315.370 -2.005 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218056963 780029180 /nfs/dbraw/zinc/02/91/80/780029180.db2.gz FYBVRWVVWUHGOY-NWDGAFQWSA-N 1 1 315.370 -2.005 20 0 DAADMO NC(=O)NCCCCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218260115 780029258 /nfs/dbraw/zinc/02/92/58/780029258.db2.gz JNKCBFPDMSZWIL-NWDGAFQWSA-N 1 1 314.386 -1.271 20 0 DAADMO NC(=O)NCCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218260115 780029262 /nfs/dbraw/zinc/02/92/62/780029262.db2.gz JNKCBFPDMSZWIL-NWDGAFQWSA-N 1 1 314.386 -1.271 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)COC)C[C@@H]21 ZINC001218065851 780029552 /nfs/dbraw/zinc/02/95/52/780029552.db2.gz JRXJDEFANLLQEN-GRYCIOLGSA-N 1 1 314.386 -1.138 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515977 780030880 /nfs/dbraw/zinc/03/08/80/780030880.db2.gz PNNWUUXGBSTPTI-MRVPVSSYSA-N 1 1 305.346 -1.563 20 0 DAADMO CCOC(=O)c1cc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)n[nH]1 ZINC001218511460 780032001 /nfs/dbraw/zinc/03/20/01/780032001.db2.gz VGKLXWAVQLPKGU-SECBINFHSA-N 1 1 309.326 -1.145 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CNC(=O)N3)[C@H]2C1 ZINC001218543714 780032600 /nfs/dbraw/zinc/03/26/00/780032600.db2.gz WBGJVQXFKBCSAK-GRYCIOLGSA-N 1 1 312.370 -1.384 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CNC(=O)N3)[C@H]2C1 ZINC001218543715 780032678 /nfs/dbraw/zinc/03/26/78/780032678.db2.gz WBGJVQXFKBCSAK-SDDRHHMPSA-N 1 1 312.370 -1.384 20 0 DAADMO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1n[nH]c2nccnc12 ZINC001218568127 780034081 /nfs/dbraw/zinc/03/40/81/780034081.db2.gz MYYMULYNFGJVGR-WDSKDSINSA-N 1 1 320.313 -2.050 20 0 DAADMO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1c(N)c(=O)c1=O ZINC001218587535 780035257 /nfs/dbraw/zinc/03/52/57/780035257.db2.gz LVAIHIHRBHHJIK-LURJTMIESA-N 1 1 312.326 -1.938 20 0 DAADMO C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CNC(=O)N3)ncn2)CC1 ZINC001218572799 780035584 /nfs/dbraw/zinc/03/55/84/780035584.db2.gz NVVNSKNNFZIQIR-VIFPVBQESA-N 1 1 305.342 -1.152 20 0 DAADMO NC(=O)c1nccnc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218618570 780038036 /nfs/dbraw/zinc/03/80/36/780038036.db2.gz RIZJITJKBZBSTA-VIFPVBQESA-N 1 1 307.358 -1.736 20 0 DAADMO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1COC[NH2+]1 ZINC001218702343 780038720 /nfs/dbraw/zinc/03/87/20/780038720.db2.gz OGQQTVUQWHDBAF-ZETCQYMHSA-N 1 1 323.313 -2.153 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]2C1 ZINC001218697639 780039956 /nfs/dbraw/zinc/03/99/56/780039956.db2.gz VPJCTMMYSRLXCO-OUAUKWLOSA-N 1 1 305.400 -1.144 20 0 DAADMO NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c1 ZINC001218750336 780041777 /nfs/dbraw/zinc/04/17/77/780041777.db2.gz DPVKRUWTTXZRJB-JTQLQIEISA-N 1 1 310.339 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ncc[nH]3)[C@H]2C1 ZINC001218838654 780043394 /nfs/dbraw/zinc/04/33/94/780043394.db2.gz HMPGMAWLADXZQP-RWMBFGLXSA-N 1 1 324.381 -1.129 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)n3)[C@H]2C1 ZINC001219032065 780044703 /nfs/dbraw/zinc/04/47/03/780044703.db2.gz OJJXSRUPPGFAEP-KWCYVHTRSA-N 1 1 324.381 -1.047 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)n3)[C@H]2C1 ZINC001219032065 780044709 /nfs/dbraw/zinc/04/47/09/780044709.db2.gz OJJXSRUPPGFAEP-KWCYVHTRSA-N 1 1 324.381 -1.047 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001219039686 780044726 /nfs/dbraw/zinc/04/47/26/780044726.db2.gz WLKLNXQNACDCQG-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001219039686 780044731 /nfs/dbraw/zinc/04/47/31/780044731.db2.gz WLKLNXQNACDCQG-GARJFASQSA-N 1 1 321.399 -2.172 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)CS(=O)(=O)NC)[C@H]2C1 ZINC001219039740 780046177 /nfs/dbraw/zinc/04/61/77/780046177.db2.gz ZJXAPUMLQAZGHB-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO NC(=O)CCCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219072145 780047143 /nfs/dbraw/zinc/04/71/43/780047143.db2.gz SHPCULGWADDKDL-SDDRHHMPSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)CCCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001219072145 780047147 /nfs/dbraw/zinc/04/71/47/780047147.db2.gz SHPCULGWADDKDL-SDDRHHMPSA-N 1 1 324.381 -1.558 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080871 780047260 /nfs/dbraw/zinc/04/72/60/780047260.db2.gz UAGVHIFBGKXNSU-UPJWGTAASA-N 1 1 302.371 -1.418 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219083694 780047424 /nfs/dbraw/zinc/04/74/24/780047424.db2.gz HSFMXSLMYUQUGL-BDAKNGLRSA-N 1 1 300.315 -2.654 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219083694 780047426 /nfs/dbraw/zinc/04/74/26/780047426.db2.gz HSFMXSLMYUQUGL-BDAKNGLRSA-N 1 1 300.315 -2.654 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080599 780047639 /nfs/dbraw/zinc/04/76/39/780047639.db2.gz MDIMQHGWRWSWPN-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219080599 780047644 /nfs/dbraw/zinc/04/76/44/780047644.db2.gz MDIMQHGWRWSWPN-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001219083958 780048144 /nfs/dbraw/zinc/04/81/44/780048144.db2.gz QMQPWUNCAQFHQV-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001219084220 780049195 /nfs/dbraw/zinc/04/91/95/780049195.db2.gz WCBVCDGBHZYLDH-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC001219084220 780049198 /nfs/dbraw/zinc/04/91/98/780049198.db2.gz WCBVCDGBHZYLDH-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](O)C1 ZINC001219087238 780049237 /nfs/dbraw/zinc/04/92/37/780049237.db2.gz CAPKRFYSQXXEFH-XQQFMLRXSA-N 1 1 302.371 -1.418 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC001219089437 780049391 /nfs/dbraw/zinc/04/93/91/780049391.db2.gz FYFJYQZRLSBUDD-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095112 780051119 /nfs/dbraw/zinc/05/11/19/780051119.db2.gz IUKSRIYATFDOFX-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219095251 780051588 /nfs/dbraw/zinc/05/15/88/780051588.db2.gz MEVWTRPDLNJDOY-UTUOFQBUSA-N 1 1 309.370 -1.037 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219106922 780053074 /nfs/dbraw/zinc/05/30/74/780053074.db2.gz JCJHICAJJYCWTE-NEPJUHHUSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219106922 780053079 /nfs/dbraw/zinc/05/30/79/780053079.db2.gz JCJHICAJJYCWTE-NEPJUHHUSA-N 1 1 303.359 -2.053 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001219112009 780054260 /nfs/dbraw/zinc/05/42/60/780054260.db2.gz OXMSVXCGVQIMDR-NEPJUHHUSA-N 1 1 312.395 -1.017 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001219112009 780054270 /nfs/dbraw/zinc/05/42/70/780054270.db2.gz OXMSVXCGVQIMDR-NEPJUHHUSA-N 1 1 312.395 -1.017 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219139602 780055869 /nfs/dbraw/zinc/05/58/69/780055869.db2.gz QSDNGSQNCCVMKW-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001219139602 780055872 /nfs/dbraw/zinc/05/58/72/780055872.db2.gz QSDNGSQNCCVMKW-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219154113 780057466 /nfs/dbraw/zinc/05/74/66/780057466.db2.gz XGRNVDUFNAOKRO-UTUOFQBUSA-N 1 1 314.411 -1.232 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219158847 780059914 /nfs/dbraw/zinc/05/99/14/780059914.db2.gz RTDDXLGHNKHTBZ-NEPJUHHUSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219158847 780059915 /nfs/dbraw/zinc/05/99/15/780059915.db2.gz RTDDXLGHNKHTBZ-NEPJUHHUSA-N 1 1 315.370 -2.221 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001219163401 780060013 /nfs/dbraw/zinc/06/00/13/780060013.db2.gz RUOPGYMPVWOERL-MNOVXSKESA-N 1 1 310.358 -2.208 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158652 780060063 /nfs/dbraw/zinc/06/00/63/780060063.db2.gz LJEIHIYRUJCKPT-AEJSXWLSSA-N 1 1 300.319 -3.158 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167435 780060870 /nfs/dbraw/zinc/06/08/70/780060870.db2.gz XENOFYABNYCCEV-MNOVXSKESA-N 1 1 310.358 -1.942 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167435 780060873 /nfs/dbraw/zinc/06/08/73/780060873.db2.gz XENOFYABNYCCEV-MNOVXSKESA-N 1 1 310.358 -1.942 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001219169101 780062906 /nfs/dbraw/zinc/06/29/06/780062906.db2.gz WFQXLVAYHMNFID-UTUOFQBUSA-N 1 1 314.386 -1.225 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001219169087 780063172 /nfs/dbraw/zinc/06/31/72/780063172.db2.gz VUZXAXLAAFIGPU-AXFHLTTASA-N 1 1 300.359 -1.757 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001219175441 780063214 /nfs/dbraw/zinc/06/32/14/780063214.db2.gz IRPPXVGOBRSCAI-KGLIPLIRSA-N 1 1 324.381 -1.058 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001219175441 780063218 /nfs/dbraw/zinc/06/32/18/780063218.db2.gz IRPPXVGOBRSCAI-KGLIPLIRSA-N 1 1 324.381 -1.058 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001219180443 780065424 /nfs/dbraw/zinc/06/54/24/780065424.db2.gz DVIRPYIPUBJNJS-RTXFEEFZSA-N 1 1 312.370 -1.489 20 0 DAADMO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219214427 780065957 /nfs/dbraw/zinc/06/59/57/780065957.db2.gz NSFDZECOYMSDJT-AXFHLTTASA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219214427 780065964 /nfs/dbraw/zinc/06/59/64/780065964.db2.gz NSFDZECOYMSDJT-AXFHLTTASA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219212455 780066275 /nfs/dbraw/zinc/06/62/75/780066275.db2.gz SUERALGNORQZCR-RDBSUJKOSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001219212455 780066279 /nfs/dbraw/zinc/06/62/79/780066279.db2.gz SUERALGNORQZCR-RDBSUJKOSA-N 1 1 314.382 -1.010 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219200856 780066322 /nfs/dbraw/zinc/06/63/22/780066322.db2.gz FKFUDQTUOGKZJB-UPJWGTAASA-N 1 1 312.370 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1COCCO1 ZINC001219211740 780066346 /nfs/dbraw/zinc/06/63/46/780066346.db2.gz ALNUUIHKSNFVSZ-GRYCIOLGSA-N 1 1 304.343 -2.428 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1COCCO1 ZINC001219211740 780066354 /nfs/dbraw/zinc/06/63/54/780066354.db2.gz ALNUUIHKSNFVSZ-GRYCIOLGSA-N 1 1 304.343 -2.428 20 0 DAADMO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219214428 780066383 /nfs/dbraw/zinc/06/63/83/780066383.db2.gz NSFDZECOYMSDJT-MXWKQRLJSA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219214428 780066390 /nfs/dbraw/zinc/06/63/90/780066390.db2.gz NSFDZECOYMSDJT-MXWKQRLJSA-N 1 1 312.370 -1.254 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001219212469 780066797 /nfs/dbraw/zinc/06/67/97/780066797.db2.gz TUHCVRYSIUNTTI-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)n1cccn1 ZINC001219216389 780067843 /nfs/dbraw/zinc/06/78/43/780067843.db2.gz KMFJONOPGUTVEF-XQQFMLRXSA-N 1 1 312.370 -1.386 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)n1cccn1 ZINC001219216389 780067847 /nfs/dbraw/zinc/06/78/47/780067847.db2.gz KMFJONOPGUTVEF-XQQFMLRXSA-N 1 1 312.370 -1.386 20 0 DAADMO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219237559 780069378 /nfs/dbraw/zinc/06/93/78/780069378.db2.gz CDNNNCSBFINBNT-XQQFMLRXSA-N 1 1 302.371 -1.274 20 0 DAADMO CC(C)OCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219229990 780069438 /nfs/dbraw/zinc/06/94/38/780069438.db2.gz LBYSNSNDAWWHJR-OLZOCXBDSA-N 1 1 304.387 -1.028 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219253232 780071182 /nfs/dbraw/zinc/07/11/82/780071182.db2.gz KWHJYFYMXXUGHD-OLZOCXBDSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219253232 780071193 /nfs/dbraw/zinc/07/11/93/780071193.db2.gz KWHJYFYMXXUGHD-OLZOCXBDSA-N 1 1 302.371 -1.417 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219243800 780071258 /nfs/dbraw/zinc/07/12/58/780071258.db2.gz HXJNWYXKUXNKPA-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219243800 780071269 /nfs/dbraw/zinc/07/12/69/780071269.db2.gz HXJNWYXKUXNKPA-TUAOUCFPSA-N 1 1 314.386 -1.402 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001219242165 780072304 /nfs/dbraw/zinc/07/23/04/780072304.db2.gz HYQWLOUEDYYJPC-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](O)C1 ZINC001219242165 780072310 /nfs/dbraw/zinc/07/23/10/780072310.db2.gz HYQWLOUEDYYJPC-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219263326 780072685 /nfs/dbraw/zinc/07/26/85/780072685.db2.gz IYKXAZDRYYVDAV-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219263326 780072692 /nfs/dbraw/zinc/07/26/92/780072692.db2.gz IYKXAZDRYYVDAV-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219259457 780074190 /nfs/dbraw/zinc/07/41/90/780074190.db2.gz HENGVQBMRMCXLU-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219274732 780074927 /nfs/dbraw/zinc/07/49/27/780074927.db2.gz FTDYMJLPAUTFCV-NEPJUHHUSA-N 1 1 315.370 -1.070 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1 ZINC001219272787 780075434 /nfs/dbraw/zinc/07/54/34/780075434.db2.gz WECYGCNQUNCKJI-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c1 ZINC001219272787 780075442 /nfs/dbraw/zinc/07/54/42/780075442.db2.gz WECYGCNQUNCKJI-OLZOCXBDSA-N 1 1 312.370 -1.638 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219274632 780075457 /nfs/dbraw/zinc/07/54/57/780075457.db2.gz BHESZJGCKDCSKY-NEPJUHHUSA-N 1 1 315.370 -1.070 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001219328161 780081996 /nfs/dbraw/zinc/08/19/96/780081996.db2.gz HIEFNGPSULFLFO-XQQFMLRXSA-N 1 1 300.355 -1.151 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001219328160 780082125 /nfs/dbraw/zinc/08/21/25/780082125.db2.gz HIEFNGPSULFLFO-UPJWGTAASA-N 1 1 300.355 -1.151 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219349361 780082389 /nfs/dbraw/zinc/08/23/89/780082389.db2.gz XLMMMBVPHDMFTM-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219347801 780082415 /nfs/dbraw/zinc/08/24/15/780082415.db2.gz UFNAVIBMVBFNST-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219347801 780082425 /nfs/dbraw/zinc/08/24/25/780082425.db2.gz UFNAVIBMVBFNST-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357612 780084118 /nfs/dbraw/zinc/08/41/18/780084118.db2.gz CTVSFNOCTYIOPV-DBIOUOCHSA-N 1 1 301.343 -2.566 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219374233 780085411 /nfs/dbraw/zinc/08/54/11/780085411.db2.gz QFGCMINJFGBLPK-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001219374233 780085419 /nfs/dbraw/zinc/08/54/19/780085419.db2.gz QFGCMINJFGBLPK-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1O ZINC001219371509 780086453 /nfs/dbraw/zinc/08/64/53/780086453.db2.gz VHTGFOYBKGVGOF-RDBSUJKOSA-N 1 1 324.425 -1.232 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001219376188 780087887 /nfs/dbraw/zinc/08/78/87/780087887.db2.gz SDPOYXVGSCTBSY-UPJWGTAASA-N 1 1 313.354 -1.306 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219376304 780088007 /nfs/dbraw/zinc/08/80/07/780088007.db2.gz YEHILTYVGYAWBM-UTUOFQBUSA-N 1 1 301.387 -1.165 20 0 DAADMO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219400666 780089845 /nfs/dbraw/zinc/08/98/45/780089845.db2.gz AIUAPWBGCQGGRO-XQQFMLRXSA-N 1 1 302.371 -1.417 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219394600 780089987 /nfs/dbraw/zinc/08/99/87/780089987.db2.gz LCFPZVODXMVHAB-MXWKQRLJSA-N 1 1 302.371 -1.230 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](O)C1 ZINC001219394600 780089991 /nfs/dbraw/zinc/08/99/91/780089991.db2.gz LCFPZVODXMVHAB-MXWKQRLJSA-N 1 1 302.371 -1.230 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)c1C ZINC001219394368 780090181 /nfs/dbraw/zinc/09/01/81/780090181.db2.gz AALQWCXAPZWXIG-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)c1C ZINC001219394368 780090186 /nfs/dbraw/zinc/09/01/86/780090186.db2.gz AALQWCXAPZWXIG-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ccn1 ZINC001219403202 780091243 /nfs/dbraw/zinc/09/12/43/780091243.db2.gz UVHHJVJWVGRONZ-NEPJUHHUSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)ccn1 ZINC001219403202 780091252 /nfs/dbraw/zinc/09/12/52/780091252.db2.gz UVHHJVJWVGRONZ-NEPJUHHUSA-N 1 1 321.381 -1.316 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc1=O ZINC001219403282 780091442 /nfs/dbraw/zinc/09/14/42/780091442.db2.gz YGIIZCZHJMDFLU-MNOVXSKESA-N 1 1 308.338 -2.078 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092648 /nfs/dbraw/zinc/09/26/48/780092648.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411413 780092651 /nfs/dbraw/zinc/09/26/51/780092651.db2.gz IPIPWECQRBCPLY-FRRDWIJNSA-N 1 1 317.386 -2.513 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219412702 780094020 /nfs/dbraw/zinc/09/40/20/780094020.db2.gz CKLUBWSHZAHLDN-AEJSXWLSSA-N 1 1 308.342 -2.198 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219413346 780095062 /nfs/dbraw/zinc/09/50/62/780095062.db2.gz OOYOTQBUMAGWLG-HRDYMLBCSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219413346 780095070 /nfs/dbraw/zinc/09/50/70/780095070.db2.gz OOYOTQBUMAGWLG-HRDYMLBCSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219413349 780095299 /nfs/dbraw/zinc/09/52/99/780095299.db2.gz OOYOTQBUMAGWLG-VGMNWLOBSA-N 1 1 307.297 -1.553 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001219413349 780095302 /nfs/dbraw/zinc/09/53/02/780095302.db2.gz OOYOTQBUMAGWLG-VGMNWLOBSA-N 1 1 307.297 -1.553 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001219413576 780095540 /nfs/dbraw/zinc/09/55/40/780095540.db2.gz VSLKQHXZAAMHQP-NEPJUHHUSA-N 1 1 309.370 -1.463 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219440936 780096669 /nfs/dbraw/zinc/09/66/69/780096669.db2.gz GOVCRUFXCNHXLH-MXWKQRLJSA-N 1 1 322.369 -1.823 20 0 DAADMO O=C(/C=C\C1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219430793 780097063 /nfs/dbraw/zinc/09/70/63/780097063.db2.gz OHIYYJCQKZECRO-BKGLOODYSA-N 1 1 322.365 -1.334 20 0 DAADMO O=C(/C=C\C1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219430793 780097071 /nfs/dbraw/zinc/09/70/71/780097071.db2.gz OHIYYJCQKZECRO-BKGLOODYSA-N 1 1 322.365 -1.334 20 0 DAADMO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219445590 780098372 /nfs/dbraw/zinc/09/83/72/780098372.db2.gz LYIWJAOHCKLSON-PUMWVJNTSA-N 1 1 310.354 -1.334 20 0 DAADMO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219445590 780098380 /nfs/dbraw/zinc/09/83/80/780098380.db2.gz LYIWJAOHCKLSON-PUMWVJNTSA-N 1 1 310.354 -1.334 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450048 780098538 /nfs/dbraw/zinc/09/85/38/780098538.db2.gz HSZXANGTCSORCY-UTUOFQBUSA-N 1 1 311.338 -1.431 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472075 780100569 /nfs/dbraw/zinc/10/05/69/780100569.db2.gz DLXLPNSXWFKXPS-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001219472156 780100602 /nfs/dbraw/zinc/10/06/02/780100602.db2.gz GNECSJOSJQTYPS-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001219465696 780100726 /nfs/dbraw/zinc/10/07/26/780100726.db2.gz MZRPHCXHGRPKRL-MCIONIFRSA-N 1 1 309.366 -1.207 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001219469892 780100768 /nfs/dbraw/zinc/10/07/68/780100768.db2.gz YZXVYCGKJAOAIH-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](O)C1 ZINC001219469892 780100769 /nfs/dbraw/zinc/10/07/69/780100769.db2.gz YZXVYCGKJAOAIH-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)ncn1 ZINC001219469637 780100817 /nfs/dbraw/zinc/10/08/17/780100817.db2.gz SVPXLKJRMXQMOU-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)ncn1 ZINC001219469637 780100819 /nfs/dbraw/zinc/10/08/19/780100819.db2.gz SVPXLKJRMXQMOU-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219480255 780101865 /nfs/dbraw/zinc/10/18/65/780101865.db2.gz PGVHFVWNQQCEOQ-VNHYZAJKSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CC1 ZINC001219480255 780101868 /nfs/dbraw/zinc/10/18/68/780101868.db2.gz PGVHFVWNQQCEOQ-VNHYZAJKSA-N 1 1 323.397 -1.010 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219485118 780102264 /nfs/dbraw/zinc/10/22/64/780102264.db2.gz BZUUSBXBYKEAAR-MNOVXSKESA-N 1 1 313.358 -1.430 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219495782 780104507 /nfs/dbraw/zinc/10/45/07/780104507.db2.gz NFDHMFCFZKAGNZ-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219495621 780105181 /nfs/dbraw/zinc/10/51/81/780105181.db2.gz KDRNSVFBKVLOFO-MNOVXSKESA-N 1 1 303.359 -2.317 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219495790 780105311 /nfs/dbraw/zinc/10/53/11/780105311.db2.gz NUTKEIOYFJUYCR-MXWKQRLJSA-N 1 1 312.370 -2.048 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219495790 780105315 /nfs/dbraw/zinc/10/53/15/780105315.db2.gz NUTKEIOYFJUYCR-MXWKQRLJSA-N 1 1 312.370 -2.048 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219499808 780106426 /nfs/dbraw/zinc/10/64/26/780106426.db2.gz GMMLAONVIUEORB-IEBDPFPHSA-N 1 1 313.358 -2.216 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001219510073 780107875 /nfs/dbraw/zinc/10/78/75/780107875.db2.gz IBCUZBRFOUEGFR-NEPJUHHUSA-N 1 1 309.370 -1.740 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001219510575 780108235 /nfs/dbraw/zinc/10/82/35/780108235.db2.gz VTZYEAFRPFIKIY-OLZOCXBDSA-N 1 1 323.397 -1.203 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O ZINC001219510036 780108419 /nfs/dbraw/zinc/10/84/19/780108419.db2.gz GPEGCXPQJJFJGW-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219511533 780109510 /nfs/dbraw/zinc/10/95/10/780109510.db2.gz QAGYSBHRHBFDDG-AXFHLTTASA-N 1 1 313.354 -1.086 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2O)C1 ZINC001219513476 780109797 /nfs/dbraw/zinc/10/97/97/780109797.db2.gz VCRSGSWYIWIMRP-HONMWMINSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521505 780110557 /nfs/dbraw/zinc/11/05/57/780110557.db2.gz MHMNECPKWZUNLO-TUAOUCFPSA-N 1 1 316.402 -1.123 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521505 780110563 /nfs/dbraw/zinc/11/05/63/780110563.db2.gz MHMNECPKWZUNLO-TUAOUCFPSA-N 1 1 316.402 -1.123 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219521243 780111091 /nfs/dbraw/zinc/11/10/91/780111091.db2.gz BFOCBXGYDCGUQI-WCQGTBRESA-N 1 1 314.386 -1.369 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219521243 780111097 /nfs/dbraw/zinc/11/10/97/780111097.db2.gz BFOCBXGYDCGUQI-WCQGTBRESA-N 1 1 314.386 -1.369 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219523194 780111152 /nfs/dbraw/zinc/11/11/52/780111152.db2.gz BKPYEXZQZNSSMS-OLZOCXBDSA-N 1 1 310.354 -1.811 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219523194 780111156 /nfs/dbraw/zinc/11/11/56/780111156.db2.gz BKPYEXZQZNSSMS-OLZOCXBDSA-N 1 1 310.354 -1.811 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219524964 780111459 /nfs/dbraw/zinc/11/14/59/780111459.db2.gz KEAYFIMVXZCZHB-TUAOUCFPSA-N 1 1 313.358 -2.163 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncnc2)[C@@H](O)C1 ZINC001219523389 780111575 /nfs/dbraw/zinc/11/15/75/780111575.db2.gz FVCSIZQZYXTEPQ-XQQFMLRXSA-N 1 1 310.354 -1.812 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCC(O)CC1 ZINC001219531119 780112243 /nfs/dbraw/zinc/11/22/43/780112243.db2.gz NSXIVVDGKVILJT-PQAZSJQKSA-N 1 1 316.398 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCC(O)CC1 ZINC001219531119 780112252 /nfs/dbraw/zinc/11/22/52/780112252.db2.gz NSXIVVDGKVILJT-PQAZSJQKSA-N 1 1 316.398 -1.292 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219531565 780112514 /nfs/dbraw/zinc/11/25/14/780112514.db2.gz WDPVVPQHKSUSQJ-NEPJUHHUSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219531565 780112517 /nfs/dbraw/zinc/11/25/17/780112517.db2.gz WDPVVPQHKSUSQJ-NEPJUHHUSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219547268 780113909 /nfs/dbraw/zinc/11/39/09/780113909.db2.gz PPQHFBNZHOMJOA-BBBLOLIVSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219547268 780113913 /nfs/dbraw/zinc/11/39/13/780113913.db2.gz PPQHFBNZHOMJOA-BBBLOLIVSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219546742 780114912 /nfs/dbraw/zinc/11/49/12/780114912.db2.gz ISDIUFKAZVJAOY-VGMNWLOBSA-N 1 1 323.296 -1.462 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219546742 780114916 /nfs/dbraw/zinc/11/49/16/780114916.db2.gz ISDIUFKAZVJAOY-VGMNWLOBSA-N 1 1 323.296 -1.462 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219549231 780116348 /nfs/dbraw/zinc/11/63/48/780116348.db2.gz PZFPSDACLJUIEH-UTUOFQBUSA-N 1 1 313.398 -1.071 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219549231 780116351 /nfs/dbraw/zinc/11/63/51/780116351.db2.gz PZFPSDACLJUIEH-UTUOFQBUSA-N 1 1 313.398 -1.071 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001219556188 780116474 /nfs/dbraw/zinc/11/64/74/780116474.db2.gz IKAISLINMRBSHF-PWSUYJOCSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001219556188 780116478 /nfs/dbraw/zinc/11/64/78/780116478.db2.gz IKAISLINMRBSHF-PWSUYJOCSA-N 1 1 313.358 -1.747 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219570925 780118900 /nfs/dbraw/zinc/11/89/00/780118900.db2.gz BSDQZFIAJFBPSE-TUAOUCFPSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001219571030 780119000 /nfs/dbraw/zinc/11/90/00/780119000.db2.gz GXOIXANCESBPLR-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001219571506 780119342 /nfs/dbraw/zinc/11/93/42/780119342.db2.gz SSIJQNDPEWLQOR-MXWKQRLJSA-N 1 1 302.375 -1.498 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313017829 780122510 /nfs/dbraw/zinc/12/25/10/780122510.db2.gz OXQAIHHGPJTZAR-VXGBXAGGSA-N 1 1 310.416 -1.024 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2(COC)CC2)[C@@H](O)C1 ZINC001219602951 780122807 /nfs/dbraw/zinc/12/28/07/780122807.db2.gz MKFAYVVSKGPULN-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCS(C)(=O)=O ZINC001219608024 780123971 /nfs/dbraw/zinc/12/39/71/780123971.db2.gz MCXQYUZJPKLFMA-VIFPVBQESA-N 1 1 323.415 -1.594 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001219609517 780124225 /nfs/dbraw/zinc/12/42/25/780124225.db2.gz VUODNCYZLSFEHO-MNOVXSKESA-N 1 1 322.431 -1.706 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219613812 780124882 /nfs/dbraw/zinc/12/48/82/780124882.db2.gz SJJYUVHJOIUPGL-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001219617462 780125059 /nfs/dbraw/zinc/12/50/59/780125059.db2.gz SKKXHDXJMBXPNP-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219617637 780125427 /nfs/dbraw/zinc/12/54/27/780125427.db2.gz NIUIEFNOGNUFRL-BYNIDDHOSA-N 1 1 301.362 -1.068 20 0 DAADMO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617630 780125524 /nfs/dbraw/zinc/12/55/24/780125524.db2.gz NDOXDAOLXPPJJU-ILOGHGLZSA-N 1 1 301.362 -1.068 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219613272 780125698 /nfs/dbraw/zinc/12/56/98/780125698.db2.gz CJTSZLSGBSXWTR-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219625537 780126551 /nfs/dbraw/zinc/12/65/51/780126551.db2.gz QRRNJQFFCBMSIU-XQQFMLRXSA-N 1 1 318.370 -2.038 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219625537 780126555 /nfs/dbraw/zinc/12/65/55/780126555.db2.gz QRRNJQFFCBMSIU-XQQFMLRXSA-N 1 1 318.370 -2.038 20 0 DAADMO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219619529 780126613 /nfs/dbraw/zinc/12/66/13/780126613.db2.gz JEEZYMQYIZQKBH-AYGWYOGXSA-N 1 1 316.377 -1.497 20 0 DAADMO C[NH2+][C@@H]1CCCN(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)C1 ZINC001219622370 780126688 /nfs/dbraw/zinc/12/66/88/780126688.db2.gz UFLMSGOIAJZYOW-MBNYWOFBSA-N 1 1 302.394 -1.151 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](O)C1 ZINC001219625112 780126874 /nfs/dbraw/zinc/12/68/74/780126874.db2.gz ANXGQOPFPYMAET-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219625111 780127159 /nfs/dbraw/zinc/12/71/59/780127159.db2.gz ANXGQOPFPYMAET-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619990 780127178 /nfs/dbraw/zinc/12/71/78/780127178.db2.gz SXWJWTZGTJMURR-JBLDHEPKSA-N 1 1 322.406 -1.681 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)NC(N)=O ZINC001219621031 780127445 /nfs/dbraw/zinc/12/74/45/780127445.db2.gz UYJHFBSVIWAUSO-MXWKQRLJSA-N 1 1 318.374 -2.397 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638062 780128258 /nfs/dbraw/zinc/12/82/58/780128258.db2.gz PFQACGWPPHFJRT-MNOVXSKESA-N 1 1 314.346 -2.503 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638062 780128263 /nfs/dbraw/zinc/12/82/63/780128263.db2.gz PFQACGWPPHFJRT-MNOVXSKESA-N 1 1 314.346 -2.503 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219643523 780128299 /nfs/dbraw/zinc/12/82/99/780128299.db2.gz XHHQOHFJYDZFGT-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219643523 780128302 /nfs/dbraw/zinc/12/83/02/780128302.db2.gz XHHQOHFJYDZFGT-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638108 780128536 /nfs/dbraw/zinc/12/85/36/780128536.db2.gz QFMRFUWAGIWQEC-NEPJUHHUSA-N 1 1 312.374 -1.493 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638108 780128544 /nfs/dbraw/zinc/12/85/44/780128544.db2.gz QFMRFUWAGIWQEC-NEPJUHHUSA-N 1 1 312.374 -1.493 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219670248 780130493 /nfs/dbraw/zinc/13/04/93/780130493.db2.gz PTLKUAVVNKJSQJ-JLLWLGSASA-N 1 1 319.427 -1.115 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219672169 780130587 /nfs/dbraw/zinc/13/05/87/780130587.db2.gz ICOLGNYIQKUXKP-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219672169 780130592 /nfs/dbraw/zinc/13/05/92/780130592.db2.gz ICOLGNYIQKUXKP-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001219667777 780130726 /nfs/dbraw/zinc/13/07/26/780130726.db2.gz LGIMSWSABGZMKN-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675234 780130978 /nfs/dbraw/zinc/13/09/78/780130978.db2.gz SRXZZKXSRUTVLB-UTUOFQBUSA-N 1 1 317.386 -1.665 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](O)C1 ZINC001219672215 780131136 /nfs/dbraw/zinc/13/11/36/780131136.db2.gz JWHUEZXHTFUPCA-UHTWSYAYSA-N 1 1 322.365 -1.647 20 0 DAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC(=O)CN1 ZINC001219678262 780132641 /nfs/dbraw/zinc/13/26/41/780132641.db2.gz IRYBFAXIXUHTHC-LLVKDONJSA-N 1 1 318.399 -2.341 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219682681 780133788 /nfs/dbraw/zinc/13/37/88/780133788.db2.gz LOBJIAAIGFXANM-XQQFMLRXSA-N 1 1 323.397 -1.041 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219682681 780133793 /nfs/dbraw/zinc/13/37/93/780133793.db2.gz LOBJIAAIGFXANM-XQQFMLRXSA-N 1 1 323.397 -1.041 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705155 780135574 /nfs/dbraw/zinc/13/55/74/780135574.db2.gz WNHMNDNZATVBRH-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219705155 780135579 /nfs/dbraw/zinc/13/55/79/780135579.db2.gz WNHMNDNZATVBRH-NEPJUHHUSA-N 1 1 313.358 -1.898 20 0 DAADMO CN(C(=O)CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1)C1CC1 ZINC001219692499 780135612 /nfs/dbraw/zinc/13/56/12/780135612.db2.gz BQYXATKHGYGHFC-CYBMUJFWSA-N 1 1 311.430 -1.136 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219722118 780137548 /nfs/dbraw/zinc/13/75/48/780137548.db2.gz SGXNXJAJMNIBOR-MJBXVCDLSA-N 1 1 324.381 -1.422 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219729766 780137570 /nfs/dbraw/zinc/13/75/70/780137570.db2.gz IHZNJVXEYQMZIG-NEPJUHHUSA-N 1 1 301.387 -1.092 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219735149 780138881 /nfs/dbraw/zinc/13/88/81/780138881.db2.gz XDYYBQPZISDEKP-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736217 780138960 /nfs/dbraw/zinc/13/89/60/780138960.db2.gz INHWKCYOHZBDJI-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736216 780138979 /nfs/dbraw/zinc/13/89/79/780138979.db2.gz INHWKCYOHZBDJI-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219733637 780139171 /nfs/dbraw/zinc/13/91/71/780139171.db2.gz XDYULFBJTBBOIQ-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219733162 780139204 /nfs/dbraw/zinc/13/92/04/780139204.db2.gz BHFBAJWKOBJSAZ-NEPJUHHUSA-N 1 1 301.387 -1.356 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219733481 780139315 /nfs/dbraw/zinc/13/93/15/780139315.db2.gz PQGOEZPWTPRDRU-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219733351 780139333 /nfs/dbraw/zinc/13/93/33/780139333.db2.gz JSNSBEGENZQOCY-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736646 780139356 /nfs/dbraw/zinc/13/93/56/780139356.db2.gz ZEPUDXSRUDMFFH-BBBLOLIVSA-N 1 1 309.388 -2.580 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736509 780139462 /nfs/dbraw/zinc/13/94/62/780139462.db2.gz UINCJQSNUXJHMR-MNOVXSKESA-N 1 1 307.416 -1.305 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)S(C)(=O)=O ZINC001219736028 780139532 /nfs/dbraw/zinc/13/95/32/780139532.db2.gz DYIDYMKRXIZQDK-ZJUUUORDSA-N 1 1 311.379 -1.601 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734907 780139722 /nfs/dbraw/zinc/13/97/22/780139722.db2.gz JZANTBYONFXBCX-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734817 780139824 /nfs/dbraw/zinc/13/98/24/780139824.db2.gz FQHBAGBXWYTAIJ-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219734839 780140027 /nfs/dbraw/zinc/14/00/27/780140027.db2.gz GTGBQYLWHMHXNP-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219734753 780140055 /nfs/dbraw/zinc/14/00/55/780140055.db2.gz BETMBJPAYPWVJE-ZJUUUORDSA-N 1 1 311.379 -1.553 20 0 DAADMO C[C@]1(C(=O)NCc2nnc3n2CCCNC3)CC[NH2+]C[C@@H]1O ZINC001219748792 780140511 /nfs/dbraw/zinc/14/05/11/780140511.db2.gz CLKOVHZXMYRPBQ-HZMBPMFUSA-N 1 1 308.386 -1.252 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219741019 780140742 /nfs/dbraw/zinc/14/07/42/780140742.db2.gz WLIJYOJXVZIXBK-AXFHLTTASA-N 1 1 303.359 -2.367 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219744806 780140808 /nfs/dbraw/zinc/14/08/08/780140808.db2.gz RZUHUOMBJDTTFP-TUAOUCFPSA-N 1 1 317.386 -1.665 20 0 DAADMO C[C@@]1(C(=O)NCc2nnc3n2CCCNC3)CC[NH2+]C[C@@H]1O ZINC001219748793 780140825 /nfs/dbraw/zinc/14/08/25/780140825.db2.gz CLKOVHZXMYRPBQ-IINYFYTJSA-N 1 1 308.386 -1.252 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219744301 780140984 /nfs/dbraw/zinc/14/09/84/780140984.db2.gz AEUSICNWISACDO-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219742677 780141308 /nfs/dbraw/zinc/14/13/08/780141308.db2.gz NPBBICXORRTANN-TUAOUCFPSA-N 1 1 317.386 -1.713 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739124 780141564 /nfs/dbraw/zinc/14/15/64/780141564.db2.gz HSIJBTWSLHKESY-AEJSXWLSSA-N 1 1 300.359 -2.695 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](O)C1 ZINC001219748357 780141813 /nfs/dbraw/zinc/14/18/13/780141813.db2.gz UWUGLJFESXVNPF-UPJWGTAASA-N 1 1 309.366 -1.220 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219752299 780142368 /nfs/dbraw/zinc/14/23/68/780142368.db2.gz ZPFPPNGUXYJZOC-NEPJUHHUSA-N 1 1 324.385 -1.947 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219753789 780142884 /nfs/dbraw/zinc/14/28/84/780142884.db2.gz KKHFEQZLAURWJW-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219753789 780142887 /nfs/dbraw/zinc/14/28/87/780142887.db2.gz KKHFEQZLAURWJW-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219749993 780142975 /nfs/dbraw/zinc/14/29/75/780142975.db2.gz TYAUEDILNQOPBW-HZMBPMFUSA-N 1 1 306.370 -1.376 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219750202 780143082 /nfs/dbraw/zinc/14/30/82/780143082.db2.gz XGVRGOXWXTWTKX-QMTHXVAHSA-N 1 1 305.386 -1.661 20 0 DAADMO C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219750224 780143108 /nfs/dbraw/zinc/14/31/08/780143108.db2.gz XZVSPVIOXGILBZ-JLTPVHFHSA-N 1 1 314.415 -1.517 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219754099 780143227 /nfs/dbraw/zinc/14/32/27/780143227.db2.gz PXKSCODZOXUQOL-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219754099 780143229 /nfs/dbraw/zinc/14/32/29/780143229.db2.gz PXKSCODZOXUQOL-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](O)C1 ZINC001219763469 780144245 /nfs/dbraw/zinc/14/42/45/780144245.db2.gz QXWXARDUFOTWNF-QKCSRTOESA-N 1 1 324.381 -1.389 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cc2n(n1)CCC2 ZINC001219758420 780144325 /nfs/dbraw/zinc/14/43/25/780144325.db2.gz UIOWSVDJAYAZRE-KGLIPLIRSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc2n(n1)CCC2 ZINC001219758420 780144330 /nfs/dbraw/zinc/14/43/30/780144330.db2.gz UIOWSVDJAYAZRE-KGLIPLIRSA-N 1 1 324.381 -1.387 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O ZINC001219755738 780144455 /nfs/dbraw/zinc/14/44/55/780144455.db2.gz JTFSKWOUIIXYRS-NEPJUHHUSA-N 1 1 316.402 -1.251 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001219758278 780144525 /nfs/dbraw/zinc/14/45/25/780144525.db2.gz MVZRZEJCGQJLFS-BNOWGMLFSA-N 1 1 324.381 -1.389 20 0 DAADMO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1CNCc2ccnn21 ZINC001219764396 780145291 /nfs/dbraw/zinc/14/52/91/780145291.db2.gz FDFABERJQOFEHV-KWCYVHTRSA-N 1 1 304.398 -1.063 20 0 DAADMO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CNCc2ccnn21 ZINC001219764396 780145298 /nfs/dbraw/zinc/14/52/98/780145298.db2.gz FDFABERJQOFEHV-KWCYVHTRSA-N 1 1 304.398 -1.063 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001219767165 780147023 /nfs/dbraw/zinc/14/70/23/780147023.db2.gz MOJUHHARZBCKOZ-TUAOUCFPSA-N 1 1 320.361 -1.326 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](O)C1 ZINC001219767165 780147029 /nfs/dbraw/zinc/14/70/29/780147029.db2.gz MOJUHHARZBCKOZ-TUAOUCFPSA-N 1 1 320.361 -1.326 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](O)C1 ZINC001219792504 780147528 /nfs/dbraw/zinc/14/75/28/780147528.db2.gz NNOFIHSNCJAKIT-RTXFEEFZSA-N 1 1 313.354 -1.306 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802652 780147712 /nfs/dbraw/zinc/14/77/12/780147712.db2.gz YUQRVYWFUNFSSL-UPJWGTAASA-N 1 1 315.414 -1.361 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001219808327 780150078 /nfs/dbraw/zinc/15/00/78/780150078.db2.gz DGCVQBIONDNUIT-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(NCc1cc(=O)n2c(n1)CNCCC2)[C@@H]1COCC[NH2+]1 ZINC001219805620 780150230 /nfs/dbraw/zinc/15/02/30/780150230.db2.gz ATUKHCOLRLTVPI-NSHDSACASA-N 1 1 307.354 -1.659 20 0 DAADMO Nc1c[nH]nc1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807283 780150291 /nfs/dbraw/zinc/15/02/91/780150291.db2.gz BJJJHLJORAOLRD-UHFFFAOYSA-N 1 1 303.326 -1.028 20 0 DAADMO O=C(NCc1noc2c1CNCC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219809622 780150547 /nfs/dbraw/zinc/15/05/47/780150547.db2.gz OKMOCJNETLIDHB-LBPRGKRZSA-N 1 1 305.338 -1.585 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811942 780151084 /nfs/dbraw/zinc/15/10/84/780151084.db2.gz DNJDMFRLVVGIEU-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1noc2c1CNCC2 ZINC001219811493 780151710 /nfs/dbraw/zinc/15/17/10/780151710.db2.gz TXGREZSFSCIGPR-NSHDSACASA-N 1 1 307.354 -1.114 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822518 780152153 /nfs/dbraw/zinc/15/21/53/780152153.db2.gz OHNZKJGPVIKZLC-RTXFEEFZSA-N 1 1 324.381 -1.284 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814382 780152177 /nfs/dbraw/zinc/15/21/77/780152177.db2.gz BPZJOTLHYIWARL-YVNDNENWSA-N 1 1 300.359 -2.837 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822517 780152238 /nfs/dbraw/zinc/15/22/38/780152238.db2.gz OHGDVTRYOQMIPW-NEPJUHHUSA-N 1 1 310.354 -1.408 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O)C1CCC1 ZINC001219813723 780152323 /nfs/dbraw/zinc/15/23/23/780152323.db2.gz BBEUWNFDRCXTKX-KGLIPLIRSA-N 1 1 315.414 -1.359 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833575 780153527 /nfs/dbraw/zinc/15/35/27/780153527.db2.gz DZKCQBWTCWSKDC-OBJOEFQTSA-N 1 1 315.370 -1.612 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833578 780153713 /nfs/dbraw/zinc/15/37/13/780153713.db2.gz DZKCQBWTCWSKDC-SGMGOOAPSA-N 1 1 315.370 -1.612 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831422 780153942 /nfs/dbraw/zinc/15/39/42/780153942.db2.gz KBNFLEUJXFLCPA-NDBYEHHHSA-N 1 1 312.414 -1.031 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219841184 780154615 /nfs/dbraw/zinc/15/46/15/780154615.db2.gz FKSRSSNPURQOKN-MNOVXSKESA-N 1 1 309.370 -1.444 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219841184 780154617 /nfs/dbraw/zinc/15/46/17/780154617.db2.gz FKSRSSNPURQOKN-MNOVXSKESA-N 1 1 309.370 -1.444 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](O)C1 ZINC001219841202 780154647 /nfs/dbraw/zinc/15/46/47/780154647.db2.gz FQLDKPGRSIJJKM-JLLWLGSASA-N 1 1 315.395 -1.146 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001219841707 780154735 /nfs/dbraw/zinc/15/47/35/780154735.db2.gz WMHUCMZNJMJBCK-UTUOFQBUSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(C[C@@H]1COCCN1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838346 780154901 /nfs/dbraw/zinc/15/49/01/780154901.db2.gz PHHKSQSZBGWZGV-NFAWXSAZSA-N 1 1 313.398 -1.124 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847398 780155796 /nfs/dbraw/zinc/15/57/96/780155796.db2.gz GCLMXLFSIAJSQR-FIQHERPVSA-N 1 1 316.427 -1.224 20 0 DAADMO COC(=O)[C@@H](NC(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H](C)O ZINC001219881003 780158776 /nfs/dbraw/zinc/15/87/76/780158776.db2.gz OJSBGSRNSXWZAM-IEBDPFPHSA-N 1 1 302.375 -2.225 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864656 780158868 /nfs/dbraw/zinc/15/88/68/780158868.db2.gz VSSJIJGEKOHEBD-UHTWSYAYSA-N 1 1 312.370 -1.521 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001219902721 780160451 /nfs/dbraw/zinc/16/04/51/780160451.db2.gz IDTDPDUNAYLFHD-XQQFMLRXSA-N 1 1 317.430 -1.115 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001219902721 780160454 /nfs/dbraw/zinc/16/04/54/780160454.db2.gz IDTDPDUNAYLFHD-XQQFMLRXSA-N 1 1 317.430 -1.115 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219902689 780160619 /nfs/dbraw/zinc/16/06/19/780160619.db2.gz HFPQIMFRUFBAGR-OLZOCXBDSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219896983 780160970 /nfs/dbraw/zinc/16/09/70/780160970.db2.gz RMURENVNCMVEAH-MNOVXSKESA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219894285 780161119 /nfs/dbraw/zinc/16/11/19/780161119.db2.gz YKGGWUWZDNLURP-ZJUUUORDSA-N 1 1 302.331 -3.608 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219896823 780161185 /nfs/dbraw/zinc/16/11/85/780161185.db2.gz LFHBAYKODRRDAL-AXFHLTTASA-N 1 1 300.403 -1.248 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219902716 780161202 /nfs/dbraw/zinc/16/12/02/780161202.db2.gz HWSUTNPOTLICDX-UTUOFQBUSA-N 1 1 312.414 -1.234 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926065 780161974 /nfs/dbraw/zinc/16/19/74/780161974.db2.gz JVLPRRDMWXVQIW-HLTSFMKQSA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926065 780161978 /nfs/dbraw/zinc/16/19/78/780161978.db2.gz JVLPRRDMWXVQIW-HLTSFMKQSA-N 1 1 309.313 -1.436 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219920003 780162045 /nfs/dbraw/zinc/16/20/45/780162045.db2.gz WZZSCBQTFBDGRS-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](O)C1 ZINC001219919871 780162146 /nfs/dbraw/zinc/16/21/46/780162146.db2.gz RETPLEIZFDSBMZ-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC[NH2+]CCO ZINC001219919035 780162335 /nfs/dbraw/zinc/16/23/35/780162335.db2.gz WAXRDBAORYIKCK-ZDUSSCGKSA-N 1 1 308.382 -1.629 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219924142 780162547 /nfs/dbraw/zinc/16/25/47/780162547.db2.gz MJFFQEOBRACGHK-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926583 780163679 /nfs/dbraw/zinc/16/36/79/780163679.db2.gz WVMATIUVMCWDQC-BBBLOLIVSA-N 1 1 323.340 -1.310 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219928136 780163834 /nfs/dbraw/zinc/16/38/34/780163834.db2.gz RNOJQHUNMLFOFV-WQAKAFBOSA-N 1 1 312.370 -1.246 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1)OC ZINC001219926352 780164651 /nfs/dbraw/zinc/16/46/51/780164651.db2.gz QBXDNHYDQAWCMW-BBBLOLIVSA-N 1 1 323.340 -1.046 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219928126 780164741 /nfs/dbraw/zinc/16/47/41/780164741.db2.gz REONIDYIUXYKRW-OLZOCXBDSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219928126 780164745 /nfs/dbraw/zinc/16/47/45/780164745.db2.gz REONIDYIUXYKRW-OLZOCXBDSA-N 1 1 312.370 -1.244 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001219941592 780166421 /nfs/dbraw/zinc/16/64/21/780166421.db2.gz GLWVWRZXSYVPDZ-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219969145 780167871 /nfs/dbraw/zinc/16/78/71/780167871.db2.gz MCUSKEINUFUAIC-MXWKQRLJSA-N 1 1 313.354 -1.932 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219969143 780168000 /nfs/dbraw/zinc/16/80/00/780168000.db2.gz MCUSKEINUFUAIC-AXFHLTTASA-N 1 1 313.354 -1.932 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220004270 780169114 /nfs/dbraw/zinc/16/91/14/780169114.db2.gz JVFSTSAYUBTUBF-UTUOFQBUSA-N 1 1 302.371 -1.418 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC(C)C)C[C@@H]1O ZINC001220011134 780170186 /nfs/dbraw/zinc/17/01/86/780170186.db2.gz NAKRLTGKPQVKIE-OLZOCXBDSA-N 1 1 323.397 -1.123 20 0 DAADMO O=C(CCc1ccon1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220012468 780171179 /nfs/dbraw/zinc/17/11/79/780171179.db2.gz CYZBOCIMEQFUGC-OLZOCXBDSA-N 1 1 313.354 -1.223 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001220024401 780172536 /nfs/dbraw/zinc/17/25/36/780172536.db2.gz JTLIDMGWNFWRIL-JLLWLGSASA-N 1 1 301.318 -1.064 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220073631 780175036 /nfs/dbraw/zinc/17/50/36/780175036.db2.gz FWWMGXOFYWUXFV-MNOVXSKESA-N 1 1 320.415 -1.998 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068850 780175254 /nfs/dbraw/zinc/17/52/54/780175254.db2.gz QHOJDHHFEUHIGK-VWYCJHECSA-N 1 1 323.415 -2.013 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)S(N)(=O)=O ZINC001220068850 780175262 /nfs/dbraw/zinc/17/52/62/780175262.db2.gz QHOJDHHFEUHIGK-VWYCJHECSA-N 1 1 323.415 -2.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220073675 780175645 /nfs/dbraw/zinc/17/56/45/780175645.db2.gz HNKVHJOBLVZUJA-BDAKNGLRSA-N 1 1 312.367 -2.439 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066755 780175779 /nfs/dbraw/zinc/17/57/79/780175779.db2.gz XRDKJYXIPVLKSK-NEPJUHHUSA-N 1 1 311.386 -1.211 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)c1=O ZINC001220066525 780175857 /nfs/dbraw/zinc/17/58/57/780175857.db2.gz KPHTWQQMQZERPJ-MNOVXSKESA-N 1 1 315.349 -1.507 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220073457 780175890 /nfs/dbraw/zinc/17/58/90/780175890.db2.gz BDJNCXJZNBGTAF-AEJSXWLSSA-N 1 1 324.403 -2.764 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn(C)c1 ZINC001220081463 780176456 /nfs/dbraw/zinc/17/64/56/780176456.db2.gz BSIBHSXTKXKPHN-FRRDWIJNSA-N 1 1 312.370 -1.349 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001220087877 780176554 /nfs/dbraw/zinc/17/65/54/780176554.db2.gz JYGSYQIZUWJHGU-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001220087877 780176557 /nfs/dbraw/zinc/17/65/57/780176557.db2.gz JYGSYQIZUWJHGU-HZSPNIEDSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001220087878 780176977 /nfs/dbraw/zinc/17/69/77/780176977.db2.gz JYGSYQIZUWJHGU-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001220087878 780176984 /nfs/dbraw/zinc/17/69/84/780176984.db2.gz JYGSYQIZUWJHGU-RDBSUJKOSA-N 1 1 316.398 -1.028 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001220076323 780177142 /nfs/dbraw/zinc/17/71/42/780177142.db2.gz WNOATMABXFNELW-ZJUUUORDSA-N 1 1 324.403 -2.762 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220105547 780179038 /nfs/dbraw/zinc/17/90/38/780179038.db2.gz AJHJGEDCRJLEEN-OLZOCXBDSA-N 1 1 312.370 -1.557 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132028 780181261 /nfs/dbraw/zinc/18/12/61/780181261.db2.gz DPDSNMSGVYIFES-WOPDTQHZSA-N 1 1 314.386 -1.404 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)NC1=O ZINC001220132782 780181654 /nfs/dbraw/zinc/18/16/54/780181654.db2.gz TVNMGNHAWGDOGW-MXWKQRLJSA-N 1 1 316.358 -2.820 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)NC1=O ZINC001220132782 780181659 /nfs/dbraw/zinc/18/16/59/780181659.db2.gz TVNMGNHAWGDOGW-MXWKQRLJSA-N 1 1 316.358 -2.820 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220131950 780181912 /nfs/dbraw/zinc/18/19/12/780181912.db2.gz BSNZEWBOIGKBFQ-MXWKQRLJSA-N 1 1 300.359 -1.792 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132026 780181928 /nfs/dbraw/zinc/18/19/28/780181928.db2.gz DPDSNMSGVYIFES-UTUOFQBUSA-N 1 1 314.386 -1.404 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220135190 780182872 /nfs/dbraw/zinc/18/28/72/780182872.db2.gz AIDRUAKOTYLNMG-MXWKQRLJSA-N 1 1 303.359 -2.332 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220135190 780182877 /nfs/dbraw/zinc/18/28/77/780182877.db2.gz AIDRUAKOTYLNMG-MXWKQRLJSA-N 1 1 303.359 -2.332 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136620 780183369 /nfs/dbraw/zinc/18/33/69/780183369.db2.gz ZYYKEFNBWXKZJU-WQAKAFBOSA-N 1 1 323.397 -1.099 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136620 780183377 /nfs/dbraw/zinc/18/33/77/780183377.db2.gz ZYYKEFNBWXKZJU-WQAKAFBOSA-N 1 1 323.397 -1.099 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137831 780184263 /nfs/dbraw/zinc/18/42/63/780184263.db2.gz JPPBTEKNQHLUHW-TUAOUCFPSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137831 780184269 /nfs/dbraw/zinc/18/42/69/780184269.db2.gz JPPBTEKNQHLUHW-TUAOUCFPSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137832 780184497 /nfs/dbraw/zinc/18/44/97/780184497.db2.gz JPPBTEKNQHLUHW-UTUOFQBUSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220137832 780184501 /nfs/dbraw/zinc/18/45/01/780184501.db2.gz JPPBTEKNQHLUHW-UTUOFQBUSA-N 1 1 317.386 -1.678 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220159117 780186263 /nfs/dbraw/zinc/18/62/63/780186263.db2.gz BWQULHCKROFLKN-BDAKNGLRSA-N 1 1 300.319 -3.006 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001220159117 780186267 /nfs/dbraw/zinc/18/62/67/780186267.db2.gz BWQULHCKROFLKN-BDAKNGLRSA-N 1 1 300.319 -3.006 20 0 DAADMO CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220166463 780188021 /nfs/dbraw/zinc/18/80/21/780188021.db2.gz ZBHPFPVJFCJLCM-MNOVXSKESA-N 1 1 312.374 -1.200 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166502 780188357 /nfs/dbraw/zinc/18/83/57/780188357.db2.gz COKPKWJMGZIQNR-OZTPJHRESA-N 1 1 312.414 -1.151 20 0 DAADMO COc1ccnc(C(=N)NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)n1 ZINC001220183269 780189236 /nfs/dbraw/zinc/18/92/36/780189236.db2.gz KERQVZVJNQONPW-JTQLQIEISA-N 1 1 321.385 -1.323 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@]1(F)CCOC1 ZINC001220213681 780190940 /nfs/dbraw/zinc/19/09/40/780190940.db2.gz XFILPOYSDACWAQ-MDZLAQPJSA-N 1 1 306.334 -1.715 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@]1(F)CCOC1 ZINC001220213681 780190943 /nfs/dbraw/zinc/19/09/43/780190943.db2.gz XFILPOYSDACWAQ-MDZLAQPJSA-N 1 1 306.334 -1.715 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225993 780191582 /nfs/dbraw/zinc/19/15/82/780191582.db2.gz XCKGBDUCLXURTG-WCQGTBRESA-N 1 1 310.354 -1.294 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230990 780192733 /nfs/dbraw/zinc/19/27/33/780192733.db2.gz WKXIHFHAROKKCD-UPJWGTAASA-N 1 1 315.414 -1.503 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)cn1 ZINC001220227215 780192880 /nfs/dbraw/zinc/19/28/80/780192880.db2.gz LAXRZAKCTCFZMR-BNOWGMLFSA-N 1 1 324.381 -1.003 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220236687 780193082 /nfs/dbraw/zinc/19/30/82/780193082.db2.gz DSRKTHLBNOAQSW-MXWKQRLJSA-N 1 1 302.350 -1.031 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237270 780193881 /nfs/dbraw/zinc/19/38/81/780193881.db2.gz RSWDLIYOWPQQJO-AXFHLTTASA-N 1 1 300.359 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001220242973 780194335 /nfs/dbraw/zinc/19/43/35/780194335.db2.gz GRYPNYRQTGQGJX-UHTWSYAYSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]1O ZINC001220242973 780194340 /nfs/dbraw/zinc/19/43/40/780194340.db2.gz GRYPNYRQTGQGJX-UHTWSYAYSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220243032 780194406 /nfs/dbraw/zinc/19/44/06/780194406.db2.gz HVSPQLILAAHXGL-MNOVXSKESA-N 1 1 310.358 -1.905 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220249530 780194992 /nfs/dbraw/zinc/19/49/92/780194992.db2.gz NIWFXJDCNQZFGT-ZJUUUORDSA-N 1 1 309.388 -2.401 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220243622 780195119 /nfs/dbraw/zinc/19/51/19/780195119.db2.gz PZGBVECLQWQZHN-MXWKQRLJSA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001220243622 780195123 /nfs/dbraw/zinc/19/51/23/780195123.db2.gz PZGBVECLQWQZHN-MXWKQRLJSA-N 1 1 301.343 -2.171 20 0 DAADMO O=C(NCc1nnc[nH]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220250304 780195427 /nfs/dbraw/zinc/19/54/27/780195427.db2.gz WHDBDEPJOZXWAY-VIFPVBQESA-N 1 1 313.383 -1.165 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001220246171 780195505 /nfs/dbraw/zinc/19/55/05/780195505.db2.gz NYZHIOBVCFWLLH-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)CC1 ZINC001220246171 780195509 /nfs/dbraw/zinc/19/55/09/780195509.db2.gz NYZHIOBVCFWLLH-MNOVXSKESA-N 1 1 324.381 -1.964 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249699 780195978 /nfs/dbraw/zinc/19/59/78/780195978.db2.gz WYWHUSGEGPSNIR-ZJUUUORDSA-N 1 1 309.388 -2.137 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249637 780195704 /nfs/dbraw/zinc/19/57/04/780195704.db2.gz TYBGLVJYXUEDSS-AEJSXWLSSA-N 1 1 309.388 -2.403 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220244160 780195721 /nfs/dbraw/zinc/19/57/21/780195721.db2.gz ZYYUPMDYFSUGFT-AEJSXWLSSA-N 1 1 305.331 -3.343 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220244160 780195728 /nfs/dbraw/zinc/19/57/28/780195728.db2.gz ZYYUPMDYFSUGFT-AEJSXWLSSA-N 1 1 305.331 -3.343 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220257698 780197336 /nfs/dbraw/zinc/19/73/36/780197336.db2.gz LAVHTSSNBNSSTD-TUAOUCFPSA-N 1 1 311.382 -1.018 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001220256317 780197354 /nfs/dbraw/zinc/19/73/54/780197354.db2.gz MDHYRTLMBHOMQX-NEPJUHHUSA-N 1 1 321.381 -1.611 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220268389 780198948 /nfs/dbraw/zinc/19/89/48/780198948.db2.gz GQPHWELUVXPNGG-NSHDSACASA-N 1 1 321.447 -2.256 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001220293404 780199722 /nfs/dbraw/zinc/19/97/22/780199722.db2.gz GGDYFOSHUNLUOG-PUHVVEEASA-N 1 1 315.370 -2.176 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001220293403 780200151 /nfs/dbraw/zinc/20/01/51/780200151.db2.gz GGDYFOSHUNLUOG-MIJXAVMKSA-N 1 1 315.370 -2.176 20 0 DAADMO O=C(CC1=CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220278703 780200356 /nfs/dbraw/zinc/20/03/56/780200356.db2.gz FBXVTSRYOGEIQF-KGLIPLIRSA-N 1 1 314.382 -1.107 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1n[nH]cc1F ZINC001220295606 780200635 /nfs/dbraw/zinc/20/06/35/780200635.db2.gz UPJWHBYFMSNTRY-ZJUUUORDSA-N 1 1 302.306 -1.667 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1n[nH]cc1F ZINC001220295606 780200643 /nfs/dbraw/zinc/20/06/43/780200643.db2.gz UPJWHBYFMSNTRY-ZJUUUORDSA-N 1 1 302.306 -1.667 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319601 780203096 /nfs/dbraw/zinc/20/30/96/780203096.db2.gz HYJJUFVFYRZPDE-BBGACYKPSA-N 1 1 314.386 -2.162 20 0 DAADMO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220329156 780203338 /nfs/dbraw/zinc/20/33/38/780203338.db2.gz HXVTWQUPQHXJIL-DTWKUNHWSA-N 1 1 303.359 -1.212 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1c[nH]nn1 ZINC001220329149 780203370 /nfs/dbraw/zinc/20/33/70/780203370.db2.gz HGQUOCZJKKZZLG-WPRPVWTQSA-N 1 1 323.357 -2.125 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)CC(C)(C)C ZINC001220367303 780206088 /nfs/dbraw/zinc/20/60/88/780206088.db2.gz RTCNSQKDDDQBJC-MNOVXSKESA-N 1 1 300.403 -1.389 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374220 780206829 /nfs/dbraw/zinc/20/68/29/780206829.db2.gz XQTXIZGAPMWPGK-UHTWSYAYSA-N 1 1 311.386 -1.056 20 0 DAADMO COC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220373378 780207025 /nfs/dbraw/zinc/20/70/25/780207025.db2.gz LGWGGXCJYPMRQB-VIFPVBQESA-N 1 1 310.358 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001220389526 780209011 /nfs/dbraw/zinc/20/90/11/780209011.db2.gz OBMWKWFNJXYRRF-POQQGIQPSA-N 1 1 314.382 -1.276 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001220389526 780209016 /nfs/dbraw/zinc/20/90/16/780209016.db2.gz OBMWKWFNJXYRRF-POQQGIQPSA-N 1 1 314.382 -1.276 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428181 780211891 /nfs/dbraw/zinc/21/18/91/780211891.db2.gz VBQOZQHTTJFHMH-MXWKQRLJSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220427165 780212808 /nfs/dbraw/zinc/21/28/08/780212808.db2.gz ADEWNJDDVWCDEB-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220427828 780213049 /nfs/dbraw/zinc/21/30/49/780213049.db2.gz PGJSERKRMYHXRL-GDPRMGEGSA-N 1 1 305.400 -1.505 20 0 DAADMO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)CCO ZINC001220449045 780213526 /nfs/dbraw/zinc/21/35/26/780213526.db2.gz HMJZQELJVXAMBT-JTQLQIEISA-N 1 1 303.359 -1.687 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439028 780213570 /nfs/dbraw/zinc/21/35/70/780213570.db2.gz DQKIZSDORABRRH-ZJUUUORDSA-N 1 1 308.404 -2.048 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001220436719 780214424 /nfs/dbraw/zinc/21/44/24/780214424.db2.gz DUPMNIJLIQUXKK-UPJWGTAASA-N 1 1 312.370 -1.640 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220428674 780214535 /nfs/dbraw/zinc/21/45/35/780214535.db2.gz CJBDBHJZEZAUIS-ZJUUUORDSA-N 1 1 303.384 -2.132 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220428694 780214796 /nfs/dbraw/zinc/21/47/96/780214796.db2.gz CMBCFOSVXIJZCG-NWDGAFQWSA-N 1 1 320.397 -1.366 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431462 780214810 /nfs/dbraw/zinc/21/48/10/780214810.db2.gz HIWPSYQUBCFVTP-MNOVXSKESA-N 1 1 316.402 -1.650 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220428671 780214943 /nfs/dbraw/zinc/21/49/43/780214943.db2.gz CJBDBHJZEZAUIS-NXEZZACHSA-N 1 1 303.384 -2.132 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CCOCC2)[C@@H](O)C1 ZINC001220457536 780216334 /nfs/dbraw/zinc/21/63/34/780216334.db2.gz KLNPALWQQZOOAS-RTXFEEFZSA-N 1 1 302.371 -1.276 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220465846 780216461 /nfs/dbraw/zinc/21/64/61/780216461.db2.gz VXZLTYFBVOGVAJ-MNOVXSKESA-N 1 1 316.402 -1.372 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220449898 780216495 /nfs/dbraw/zinc/21/64/95/780216495.db2.gz CKKPWFLKQKIVTK-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220449898 780216497 /nfs/dbraw/zinc/21/64/97/780216497.db2.gz CKKPWFLKQKIVTK-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO O=C(COC[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220450634 780216517 /nfs/dbraw/zinc/21/65/17/780216517.db2.gz UWEOLVHCHFSNAS-XQQFMLRXSA-N 1 1 302.371 -1.417 20 0 DAADMO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220465170 780216673 /nfs/dbraw/zinc/21/66/73/780216673.db2.gz AJZXFZIIRIKXPB-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO COCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220465170 780216682 /nfs/dbraw/zinc/21/66/82/780216682.db2.gz AJZXFZIIRIKXPB-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO CC(=O)OC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220453321 780216812 /nfs/dbraw/zinc/21/68/12/780216812.db2.gz BZPCSCPBAFRLPD-RYUDHWBXSA-N 1 1 315.370 -1.124 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O)C(N)=O ZINC001220494934 780217598 /nfs/dbraw/zinc/21/75/98/780217598.db2.gz LRTPKVKYJTZFEP-AXFHLTTASA-N 1 1 300.359 -2.064 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)C(N)=O ZINC001220494820 780218634 /nfs/dbraw/zinc/21/86/34/780218634.db2.gz KVOUNZPVYVIYBV-AXFHLTTASA-N 1 1 318.349 -2.113 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508562 780219046 /nfs/dbraw/zinc/21/90/46/780219046.db2.gz OFWKMYRWOOEBCL-MXWKQRLJSA-N 1 1 303.359 -2.367 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509654 780219169 /nfs/dbraw/zinc/21/91/69/780219169.db2.gz JNCACDTZSIDSRE-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509808 780219478 /nfs/dbraw/zinc/21/94/78/780219478.db2.gz PYNSWMAKZFCMPU-ZJUUUORDSA-N 1 1 323.415 -1.878 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509808 780219485 /nfs/dbraw/zinc/21/94/85/780219485.db2.gz PYNSWMAKZFCMPU-ZJUUUORDSA-N 1 1 323.415 -1.878 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220508317 780219664 /nfs/dbraw/zinc/21/96/64/780219664.db2.gz GUPQVWJLVLAPMM-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220508317 780219671 /nfs/dbraw/zinc/21/96/71/780219671.db2.gz GUPQVWJLVLAPMM-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO COC(=O)c1ncc(=O)[nH]c1NC(=O)CC[C@H]([NH3+])C(=O)OC ZINC001220514515 780220603 /nfs/dbraw/zinc/22/06/03/780220603.db2.gz NOQXDHADFMMNRA-LURJTMIESA-N 1 1 312.282 -1.225 20 0 DAADMO COCCOCCOCCOCCNC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001220514787 780221104 /nfs/dbraw/zinc/22/11/04/780221104.db2.gz UYPGYOCTSRVPMG-STQMWFEESA-N 1 1 319.402 -1.512 20 0 DAADMO CN(CC[NH3+])CCNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC001220517569 780221556 /nfs/dbraw/zinc/22/15/56/780221556.db2.gz QTPHJDYBFCVVHE-AWEZNQCLSA-N 1 1 321.425 -1.321 20 0 DAADMO COCCOCCOCCOCCNC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220514785 780221609 /nfs/dbraw/zinc/22/16/09/780221609.db2.gz UYPGYOCTSRVPMG-OLZOCXBDSA-N 1 1 319.402 -1.512 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220518518 780222043 /nfs/dbraw/zinc/22/20/43/780222043.db2.gz GCTDVDGXYSTCNR-OLZOCXBDSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](O)C1 ZINC001220537659 780223999 /nfs/dbraw/zinc/22/39/99/780223999.db2.gz CCKZFQRTUPXJQG-YUTCNCBUSA-N 1 1 324.381 -1.124 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CNC(C)=O)[C@@H](O)C1 ZINC001220530192 780224086 /nfs/dbraw/zinc/22/40/86/780224086.db2.gz NYCWEOOJIYCNIC-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)CC1 ZINC001220544732 780224591 /nfs/dbraw/zinc/22/45/91/780224591.db2.gz XTPXDOXLJBLUFI-MXWKQRLJSA-N 1 1 315.370 -2.319 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001220540946 780224612 /nfs/dbraw/zinc/22/46/12/780224612.db2.gz MJLGRCWSXLFCME-MNOVXSKESA-N 1 1 313.354 -1.763 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220540793 780224681 /nfs/dbraw/zinc/22/46/81/780224681.db2.gz GPYUGLZHJXYQLJ-UTUOFQBUSA-N 1 1 311.382 -1.290 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220559990 780225829 /nfs/dbraw/zinc/22/58/29/780225829.db2.gz KUWYKWRYJIRIJT-NEPJUHHUSA-N 1 1 322.365 -1.502 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001220560003 780225860 /nfs/dbraw/zinc/22/58/60/780225860.db2.gz MDNKKANQZQVRQD-NEPJUHHUSA-N 1 1 324.381 -1.112 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](O)C1 ZINC001220560178 780225875 /nfs/dbraw/zinc/22/58/75/780225875.db2.gz VPUCMQMSRYZERM-UTUOFQBUSA-N 1 1 312.370 -1.191 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553163 780225902 /nfs/dbraw/zinc/22/59/02/780225902.db2.gz AVVAGSIQPQQBHM-UTUOFQBUSA-N 1 1 314.386 -2.256 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](O)C1 ZINC001220550564 780226189 /nfs/dbraw/zinc/22/61/89/780226189.db2.gz YQMQBGQJKDAQOC-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558154 780226983 /nfs/dbraw/zinc/22/69/83/780226983.db2.gz MTPXNFRRCILLBC-MXWKQRLJSA-N 1 1 300.359 -2.062 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001220574428 780228466 /nfs/dbraw/zinc/22/84/66/780228466.db2.gz ARRMEUCDYBATDM-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1 ZINC001220574428 780228471 /nfs/dbraw/zinc/22/84/71/780228471.db2.gz ARRMEUCDYBATDM-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220583319 780230185 /nfs/dbraw/zinc/23/01/85/780230185.db2.gz UALNDHPCHUYYHB-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220576212 780230630 /nfs/dbraw/zinc/23/06/30/780230630.db2.gz VMYPSTQXZMZYNM-SNVBAGLBSA-N 1 1 312.370 -1.734 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001220576852 780231030 /nfs/dbraw/zinc/23/10/30/780231030.db2.gz SVKISLRSDRUJLN-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H](N)CO ZINC001220585696 780232663 /nfs/dbraw/zinc/23/26/63/780232663.db2.gz VIIVZAZJVRIBPN-IUCAKERBSA-N 1 1 304.347 -2.839 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220603484 780233460 /nfs/dbraw/zinc/23/34/60/780233460.db2.gz IDNCXSSOOZYVGW-MXWKQRLJSA-N 1 1 314.346 -2.768 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220606070 780234148 /nfs/dbraw/zinc/23/41/48/780234148.db2.gz DPCCLSWHOARLHA-XQQFMLRXSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCOC1 ZINC001220606099 780234173 /nfs/dbraw/zinc/23/41/73/780234173.db2.gz FQHCKCPYIJKOCW-DYEKYZERSA-N 1 1 302.371 -1.417 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCOC1 ZINC001220606099 780234179 /nfs/dbraw/zinc/23/41/79/780234179.db2.gz FQHCKCPYIJKOCW-DYEKYZERSA-N 1 1 302.371 -1.417 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606079 780234464 /nfs/dbraw/zinc/23/44/64/780234464.db2.gz DYVRDFHZJGVAEI-AXFHLTTASA-N 1 1 300.338 -1.027 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606079 780234465 /nfs/dbraw/zinc/23/44/65/780234465.db2.gz DYVRDFHZJGVAEI-AXFHLTTASA-N 1 1 300.338 -1.027 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220599943 780234472 /nfs/dbraw/zinc/23/44/72/780234472.db2.gz VAICAGCPIUNYKN-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220606241 780235071 /nfs/dbraw/zinc/23/50/71/780235071.db2.gz LZGQPKKXLZODRS-TUAOUCFPSA-N 1 1 310.358 -1.739 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635027 780235216 /nfs/dbraw/zinc/23/52/16/780235216.db2.gz FUYPTXHDPZVQKS-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220606227 780235363 /nfs/dbraw/zinc/23/53/63/780235363.db2.gz LILLBSZHXYQUHR-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606512 780235462 /nfs/dbraw/zinc/23/54/62/780235462.db2.gz WDVSQNBBMITSFE-AXFHLTTASA-N 1 1 300.338 -1.027 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCCOC1 ZINC001220623409 780235520 /nfs/dbraw/zinc/23/55/20/780235520.db2.gz LFPKZDBAIUXCJJ-IPYPFGDCSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCCOC1 ZINC001220623409 780235523 /nfs/dbraw/zinc/23/55/23/780235523.db2.gz LFPKZDBAIUXCJJ-IPYPFGDCSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606557 780235848 /nfs/dbraw/zinc/23/58/48/780235848.db2.gz YNXCPDBDPUUKEH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220653936 780237156 /nfs/dbraw/zinc/23/71/56/780237156.db2.gz YVZKKDPSRAYKSO-MNOVXSKESA-N 1 1 313.358 -1.861 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220644679 780237777 /nfs/dbraw/zinc/23/77/77/780237777.db2.gz UXHIOTGIEZUAFS-XQQFMLRXSA-N 1 1 324.381 -1.170 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)nn1 ZINC001220642689 780237802 /nfs/dbraw/zinc/23/78/02/780237802.db2.gz IOSGCGKYPPWOLM-FOGDFJRCSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)nn1 ZINC001220642689 780237807 /nfs/dbraw/zinc/23/78/07/780237807.db2.gz IOSGCGKYPPWOLM-FOGDFJRCSA-N 1 1 313.358 -1.920 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220636810 780237880 /nfs/dbraw/zinc/23/78/80/780237880.db2.gz SUGBLEVNWXCPEO-UPJWGTAASA-N 1 1 311.382 -1.290 20 0 DAADMO COC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220659294 780238402 /nfs/dbraw/zinc/23/84/02/780238402.db2.gz VODBXFILSWUUJM-UPJWGTAASA-N 1 1 304.387 -1.171 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001220682904 780238920 /nfs/dbraw/zinc/23/89/20/780238920.db2.gz GRLCKKXMFOSASX-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220660979 780239072 /nfs/dbraw/zinc/23/90/72/780239072.db2.gz GIIWHRGSOYGMEU-MNOVXSKESA-N 1 1 313.358 -1.861 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220660976 780239277 /nfs/dbraw/zinc/23/92/77/780239277.db2.gz GIAXVDMZNGMSIM-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001220656486 780239368 /nfs/dbraw/zinc/23/93/68/780239368.db2.gz DLNBXFRXYFVFIW-MNOVXSKESA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716752 780241686 /nfs/dbraw/zinc/24/16/86/780241686.db2.gz QKRSYADCNHFQGG-NWBUJAPZSA-N 1 1 312.414 -1.058 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716752 780241692 /nfs/dbraw/zinc/24/16/92/780241692.db2.gz QKRSYADCNHFQGG-NWBUJAPZSA-N 1 1 312.414 -1.058 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cccnc1CN ZINC001220711696 780241847 /nfs/dbraw/zinc/24/18/47/780241847.db2.gz RBZPSTUTVRMVPZ-UHFFFAOYSA-N 1 1 301.372 -1.301 20 0 DAADMO COCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220710708 780241953 /nfs/dbraw/zinc/24/19/53/780241953.db2.gz YVLUKHWFPMIAOK-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001220733613 780242728 /nfs/dbraw/zinc/24/27/28/780242728.db2.gz FFXMNSAWRAVJLQ-BBBLOLIVSA-N 1 1 311.346 -2.641 20 0 DAADMO C[C@@H]1COCCN1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220724126 780242761 /nfs/dbraw/zinc/24/27/61/780242761.db2.gz DZLHPXLXCUIQAR-TZMCWYRMSA-N 1 1 313.446 -1.426 20 0 DAADMO CCOCCOCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220757480 780245280 /nfs/dbraw/zinc/24/52/80/780245280.db2.gz HRUAWZQEHLUIRV-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001220757147 780245423 /nfs/dbraw/zinc/24/54/23/780245423.db2.gz VNJRPNGARIDEEI-QWRGUYRKSA-N 1 1 304.416 -2.088 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001220757379 780245546 /nfs/dbraw/zinc/24/55/46/780245546.db2.gz CAYLJDGHQPXLJX-UPJWGTAASA-N 1 1 312.370 -1.869 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001220757146 780245683 /nfs/dbraw/zinc/24/56/83/780245683.db2.gz VNJRPNGARIDEEI-MNOVXSKESA-N 1 1 304.416 -2.088 20 0 DAADMO CCOCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764728 780245787 /nfs/dbraw/zinc/24/57/87/780245787.db2.gz UKKVTTXYVDWQGE-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO COC[C@@H](C)N1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764470 780246033 /nfs/dbraw/zinc/24/60/33/780246033.db2.gz MDYGCNBGKCSMIN-UPJWGTAASA-N 1 1 303.403 -1.239 20 0 DAADMO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)c1 ZINC001220771265 780246716 /nfs/dbraw/zinc/24/67/16/780246716.db2.gz LCNHJYLQVOFKRO-WZRBSPASSA-N 1 1 312.370 -1.315 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220788739 780247613 /nfs/dbraw/zinc/24/76/13/780247613.db2.gz UQGAPGIFGXEPTJ-UTUOFQBUSA-N 1 1 301.387 -1.165 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220798631 780249187 /nfs/dbraw/zinc/24/91/87/780249187.db2.gz CTVSFNOCTYIOPV-MMWGEVLESA-N 1 1 301.343 -2.566 20 0 DAADMO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)CN)C[NH2+]C1 ZINC001220829318 780250009 /nfs/dbraw/zinc/25/00/09/780250009.db2.gz ZTQHBSYWLNJDFE-NSHDSACASA-N 1 1 310.354 -1.527 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001220817275 780250118 /nfs/dbraw/zinc/25/01/18/780250118.db2.gz UAQROEDSUGUEIA-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001220817231 780250268 /nfs/dbraw/zinc/25/02/68/780250268.db2.gz RDONNPKKLGHRDM-NEPJUHHUSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001220817050 780250800 /nfs/dbraw/zinc/25/08/00/780250800.db2.gz MCYFQUDWLWSFNK-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220826234 780251421 /nfs/dbraw/zinc/25/14/21/780251421.db2.gz TUQBTSBRGAGUJA-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220826234 780251425 /nfs/dbraw/zinc/25/14/25/780251425.db2.gz TUQBTSBRGAGUJA-KGLIPLIRSA-N 1 1 317.430 -1.112 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)CNC1 ZINC001220853072 780251982 /nfs/dbraw/zinc/25/19/82/780251982.db2.gz KKSRBNGIZQDSQL-NSHDSACASA-N 1 1 314.386 -1.359 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CNC1 ZINC001220851034 780252316 /nfs/dbraw/zinc/25/23/16/780252316.db2.gz FBSBXTGASYCXIO-UWVGGRQHSA-N 1 1 312.370 -1.654 20 0 DAADMO CCOC(=O)C1(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)CNC1 ZINC001220853058 780252342 /nfs/dbraw/zinc/25/23/42/780252342.db2.gz JXXPOKAVUJQUPJ-ONGXEEELSA-N 1 1 314.386 -1.503 20 0 DAADMO C[C@]1(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCS(=O)(=O)N1 ZINC001220854101 780253390 /nfs/dbraw/zinc/25/33/90/780253390.db2.gz RZPPLPCWPBOROB-JFGNBEQYSA-N 1 1 321.399 -2.388 20 0 DAADMO CCn1nnc2c1[C@H](C(=O)NCCN1CC[NH2+]CC1=O)CNC2 ZINC001220872256 780254628 /nfs/dbraw/zinc/25/46/28/780254628.db2.gz QOKSXAVLBZDXRD-SNVBAGLBSA-N 1 1 321.385 -1.967 20 0 DAADMO O=C(CNC(=O)c1cccs1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220902504 780256426 /nfs/dbraw/zinc/25/64/26/780256426.db2.gz KSJRJHOOUMGXSE-ZJUUUORDSA-N 1 1 313.379 -1.369 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220881648 780256854 /nfs/dbraw/zinc/25/68/54/780256854.db2.gz CUWFBAHXXUPKEK-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881974 780256897 /nfs/dbraw/zinc/25/68/97/780256897.db2.gz KYHIWCVBPLEBJV-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881974 780256901 /nfs/dbraw/zinc/25/69/01/780256901.db2.gz KYHIWCVBPLEBJV-AXFHLTTASA-N 1 1 323.415 -1.926 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881608 780257159 /nfs/dbraw/zinc/25/71/59/780257159.db2.gz ATNSXUPDHFCSCF-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881608 780257163 /nfs/dbraw/zinc/25/71/63/780257163.db2.gz ATNSXUPDHFCSCF-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913462 780258377 /nfs/dbraw/zinc/25/83/77/780258377.db2.gz CISZHINSFFYCCH-RTXFEEFZSA-N 1 1 324.381 -1.284 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913752 780258911 /nfs/dbraw/zinc/25/89/11/780258911.db2.gz KXEKRYTWIWGEBO-OLZOCXBDSA-N 1 1 324.381 -1.020 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935678 780260000 /nfs/dbraw/zinc/26/00/00/780260000.db2.gz QOCONFBJPZFWFF-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936045 780260464 /nfs/dbraw/zinc/26/04/64/780260464.db2.gz BVEXZKCVEZHLQA-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934145 780260790 /nfs/dbraw/zinc/26/07/90/780260790.db2.gz UWAZFZGEVOKHKH-AXFHLTTASA-N 1 1 312.370 -1.064 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220935330 780260842 /nfs/dbraw/zinc/26/08/42/780260842.db2.gz AEFDINDCSUCOQZ-TUAOUCFPSA-N 1 1 314.386 -1.225 20 0 DAADMO CC(C)C[C@H](NC(=O)CN)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936044 780261130 /nfs/dbraw/zinc/26/11/30/780261130.db2.gz BVEXZKCVEZHLQA-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220937927 780262349 /nfs/dbraw/zinc/26/23/49/780262349.db2.gz HDPMHGAHOWRZBW-BBBLOLIVSA-N 1 1 304.347 -2.787 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001220944294 780262733 /nfs/dbraw/zinc/26/27/33/780262733.db2.gz GFZURYSYGAFPJW-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220976271 780264169 /nfs/dbraw/zinc/26/41/69/780264169.db2.gz RPXCWVJIIWBVNQ-XQQFMLRXSA-N 1 1 301.387 -1.892 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)C1 ZINC001220976270 780264372 /nfs/dbraw/zinc/26/43/72/780264372.db2.gz RPXCWVJIIWBVNQ-UPJWGTAASA-N 1 1 301.387 -1.892 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979072 780264842 /nfs/dbraw/zinc/26/48/42/780264842.db2.gz DBQMGWXVHOWKCW-XQQFMLRXSA-N 1 1 312.370 -1.640 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]2O)C1 ZINC001220976200 780265374 /nfs/dbraw/zinc/26/53/74/780265374.db2.gz OHJGGQHMPYEKNA-MCIONIFRSA-N 1 1 324.425 -1.374 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220993176 780265776 /nfs/dbraw/zinc/26/57/76/780265776.db2.gz TYKMTCANGMNJDZ-UTUOFQBUSA-N 1 1 301.387 -1.044 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979630 780265812 /nfs/dbraw/zinc/26/58/12/780265812.db2.gz QWOVBRIEBTVCAP-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986775 780266324 /nfs/dbraw/zinc/26/63/24/780266324.db2.gz ASKFZLCIOLZIRX-AXFHLTTASA-N 1 1 321.399 -2.124 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220992927 780266481 /nfs/dbraw/zinc/26/64/81/780266481.db2.gz MIHWHEBPFUEGBN-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(C[C@@H]1CCCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220985854 780266591 /nfs/dbraw/zinc/26/65/91/780266591.db2.gz HVFKXBVQPGAABJ-MJBXVCDLSA-N 1 1 316.398 -1.027 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1)OC ZINC001220992473 780266662 /nfs/dbraw/zinc/26/66/62/780266662.db2.gz BVXGQABFOOPLJB-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](O)C1 ZINC001220986942 780266932 /nfs/dbraw/zinc/26/69/32/780266932.db2.gz DTDBLPQUECGFHA-NEPJUHHUSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(CNC(=O)c1ccsc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221005298 780268730 /nfs/dbraw/zinc/26/87/30/780268730.db2.gz BYSMEIYWVNNDAV-MNOVXSKESA-N 1 1 313.379 -1.369 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221012340 780268743 /nfs/dbraw/zinc/26/87/43/780268743.db2.gz MOXBENRJNPJFJT-XQQFMLRXSA-N 1 1 304.387 -1.171 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221012340 780268750 /nfs/dbraw/zinc/26/87/50/780268750.db2.gz MOXBENRJNPJFJT-XQQFMLRXSA-N 1 1 304.387 -1.171 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001221006308 780268881 /nfs/dbraw/zinc/26/88/81/780268881.db2.gz DREKYZZALAYROH-MNXVOIDGSA-N 1 1 312.414 -1.186 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCC1=O ZINC001221009822 780269071 /nfs/dbraw/zinc/26/90/71/780269071.db2.gz MMPHNMAFPLLLGS-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001221007043 780269143 /nfs/dbraw/zinc/26/91/43/780269143.db2.gz STYYFDHPEPBSFJ-JHJVBQTASA-N 1 1 311.430 -1.347 20 0 DAADMO CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220993231 780269169 /nfs/dbraw/zinc/26/91/69/780269169.db2.gz VUORJIBTISDXCS-UTUOFQBUSA-N 1 1 301.387 -1.308 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001221006321 780269327 /nfs/dbraw/zinc/26/93/27/780269327.db2.gz DZLFOILFXYTHNG-FDYHWXHSSA-N 1 1 312.414 -1.186 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220993230 780269461 /nfs/dbraw/zinc/26/94/61/780269461.db2.gz VUORJIBTISDXCS-TUAOUCFPSA-N 1 1 301.387 -1.308 20 0 DAADMO COCCC1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCS(=O)(=O)CC1 ZINC001221025967 780270116 /nfs/dbraw/zinc/27/01/16/780270116.db2.gz OEFONZJDZPELTH-MNOVXSKESA-N 1 1 319.427 -1.224 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001221035846 780270168 /nfs/dbraw/zinc/27/01/68/780270168.db2.gz UTMOUYCSCGFMEX-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001221035846 780270175 /nfs/dbraw/zinc/27/01/75/780270175.db2.gz UTMOUYCSCGFMEX-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001221058608 780270376 /nfs/dbraw/zinc/27/03/76/780270376.db2.gz UWXPFXCWLRVNSL-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221035699 780271235 /nfs/dbraw/zinc/27/12/35/780271235.db2.gz PDLDGXDDCWYCSL-RYDUCSDGSA-N 1 1 301.387 -1.309 20 0 DAADMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221035699 780271243 /nfs/dbraw/zinc/27/12/43/780271243.db2.gz PDLDGXDDCWYCSL-RYDUCSDGSA-N 1 1 301.387 -1.309 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H](O)C1 ZINC001221033346 780271503 /nfs/dbraw/zinc/27/15/03/780271503.db2.gz VWXAPKACYJHVQG-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1cccc(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC001221071676 780272312 /nfs/dbraw/zinc/27/23/12/780272312.db2.gz GHZYZSBIAZXLKV-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)c1cccc(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001221071676 780272317 /nfs/dbraw/zinc/27/23/17/780272317.db2.gz GHZYZSBIAZXLKV-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001221072359 780272862 /nfs/dbraw/zinc/27/28/62/780272862.db2.gz ZCOUCMMLYVHHMY-NEPJUHHUSA-N 1 1 322.369 -2.034 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001221063864 780272903 /nfs/dbraw/zinc/27/29/03/780272903.db2.gz LICNUGNXTRZHQS-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001221075500 780273681 /nfs/dbraw/zinc/27/36/81/780273681.db2.gz DJGZEGKZQWPPCE-MNOVXSKESA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091317 780274989 /nfs/dbraw/zinc/27/49/89/780274989.db2.gz KFQGBURKHYZEQA-TUAOUCFPSA-N 1 1 300.403 -1.378 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001221091857 780276163 /nfs/dbraw/zinc/27/61/63/780276163.db2.gz YMUOHOUPKWYMBZ-OLZOCXBDSA-N 1 1 303.403 -1.503 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001221093372 780276538 /nfs/dbraw/zinc/27/65/38/780276538.db2.gz KCICXTLSHLOAJQ-OLZOCXBDSA-N 1 1 310.402 -1.183 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221137311 780277819 /nfs/dbraw/zinc/27/78/19/780277819.db2.gz CMIUXSYQLIPEAW-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221156431 780278327 /nfs/dbraw/zinc/27/83/27/780278327.db2.gz KQWLMJRUDUFELV-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CN(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cccnc1 ZINC001221105574 780278369 /nfs/dbraw/zinc/27/83/69/780278369.db2.gz QEIHQCFALJYBGQ-RDBSUJKOSA-N 1 1 308.382 -1.162 20 0 DAADMO CN(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccnc1 ZINC001221105574 780278375 /nfs/dbraw/zinc/27/83/75/780278375.db2.gz QEIHQCFALJYBGQ-RDBSUJKOSA-N 1 1 308.382 -1.162 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221159109 780280179 /nfs/dbraw/zinc/28/01/79/780280179.db2.gz GLWBVWZJLKMGBY-AXFHLTTASA-N 1 1 302.375 -1.633 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221159109 780280187 /nfs/dbraw/zinc/28/01/87/780280187.db2.gz GLWBVWZJLKMGBY-AXFHLTTASA-N 1 1 302.375 -1.633 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221168812 780280309 /nfs/dbraw/zinc/28/03/09/780280309.db2.gz BOQAYAPYRTVXFQ-NEPJUHHUSA-N 1 1 317.386 -1.534 20 0 DAADMO C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221185274 780282237 /nfs/dbraw/zinc/28/22/37/780282237.db2.gz CWVNVIBMETVPQL-UHTWSYAYSA-N 1 1 313.398 -1.165 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221235661 780283648 /nfs/dbraw/zinc/28/36/48/780283648.db2.gz PWCIQECSXDHCPM-FRRDWIJNSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221235661 780283650 /nfs/dbraw/zinc/28/36/50/780283650.db2.gz PWCIQECSXDHCPM-FRRDWIJNSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@@]1(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCC(=O)N1 ZINC001221200713 780283729 /nfs/dbraw/zinc/28/37/29/780283729.db2.gz UOIJJXMVDFBTIF-TYNCELHUSA-N 1 1 313.398 -1.021 20 0 DAADMO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001221190480 780283831 /nfs/dbraw/zinc/28/38/31/780283831.db2.gz PDQTYRJOXDLMCA-UWVGGRQHSA-N 1 1 300.359 -1.667 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221199945 780284688 /nfs/dbraw/zinc/28/46/88/780284688.db2.gz CPJBHTAJIDHFFX-MXWKQRLJSA-N 1 1 313.354 -1.763 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221253733 780286207 /nfs/dbraw/zinc/28/62/07/780286207.db2.gz WRHTZEXTNYXBQS-GRYCIOLGSA-N 1 1 310.358 -1.787 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221259546 780286890 /nfs/dbraw/zinc/28/68/90/780286890.db2.gz JXFJPSCOXDTGBG-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264537 780287667 /nfs/dbraw/zinc/28/76/67/780287667.db2.gz PKCZXYFGNPSZMH-OUAUKWLOSA-N 1 1 309.370 -1.582 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264537 780287674 /nfs/dbraw/zinc/28/76/74/780287674.db2.gz PKCZXYFGNPSZMH-OUAUKWLOSA-N 1 1 309.370 -1.582 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221264397 780287756 /nfs/dbraw/zinc/28/77/56/780287756.db2.gz JEEQAKJUFVHHSU-VXGBXAGGSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221264397 780287764 /nfs/dbraw/zinc/28/77/64/780287764.db2.gz JEEQAKJUFVHHSU-VXGBXAGGSA-N 1 1 323.397 -1.286 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H]2NCN[C@@H]21 ZINC001221265059 780288300 /nfs/dbraw/zinc/28/83/00/780288300.db2.gz FXWVTBJCWPQMFK-VVULQXIFSA-N 1 1 322.335 -1.564 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221316654 780289444 /nfs/dbraw/zinc/28/94/44/780289444.db2.gz QVDWXMWQUXJOLE-FRRDWIJNSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221316654 780289454 /nfs/dbraw/zinc/28/94/54/780289454.db2.gz QVDWXMWQUXJOLE-FRRDWIJNSA-N 1 1 320.393 -1.066 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221322165 780289976 /nfs/dbraw/zinc/28/99/76/780289976.db2.gz QKHJRDQKBHWRFH-OUAUKWLOSA-N 1 1 310.354 -1.236 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221322165 780289985 /nfs/dbraw/zinc/28/99/85/780289985.db2.gz QKHJRDQKBHWRFH-OUAUKWLOSA-N 1 1 310.354 -1.236 20 0 DAADMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCN1CCCS1(=O)=O ZINC001221337386 780292252 /nfs/dbraw/zinc/29/22/52/780292252.db2.gz PWDXBZJILZDHHG-JTQLQIEISA-N 1 1 301.372 -1.569 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)NC(N)=O)C[C@H]21 ZINC001221444699 780294289 /nfs/dbraw/zinc/29/42/89/780294289.db2.gz KKVCTNRNMCQSOH-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001221554080 780295934 /nfs/dbraw/zinc/29/59/34/780295934.db2.gz DAPJPIYDSDXUGD-IJLUTSLNSA-N 1 1 310.358 -1.787 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221505727 780296554 /nfs/dbraw/zinc/29/65/54/780296554.db2.gz DHURWAKQPUGNCG-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221505727 780296563 /nfs/dbraw/zinc/29/65/63/780296563.db2.gz DHURWAKQPUGNCG-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nncc1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221519488 780296610 /nfs/dbraw/zinc/29/66/10/780296610.db2.gz SDUKOVNWSMMRPV-DGCLKSJQSA-N 1 1 309.370 -1.030 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221524813 780297290 /nfs/dbraw/zinc/29/72/90/780297290.db2.gz DQVOZGPHDZCKKI-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221524813 780297296 /nfs/dbraw/zinc/29/72/96/780297296.db2.gz DQVOZGPHDZCKKI-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221506168 780297545 /nfs/dbraw/zinc/29/75/45/780297545.db2.gz OYEYCKCNJQENCL-GMTAPVOTSA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221506168 780297555 /nfs/dbraw/zinc/29/75/55/780297555.db2.gz OYEYCKCNJQENCL-GMTAPVOTSA-N 1 1 322.365 -1.540 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001221589232 780298862 /nfs/dbraw/zinc/29/88/62/780298862.db2.gz DBECHLYYDIZDHT-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001221715233 780298916 /nfs/dbraw/zinc/29/89/16/780298916.db2.gz IIHRMOJPBBRDCU-HBNTYKKESA-N 1 1 320.415 -2.046 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001221591065 780298938 /nfs/dbraw/zinc/29/89/38/780298938.db2.gz OMCHMNQXDDHHJS-QJPTWQEYSA-N 1 1 319.427 -1.209 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001221715232 780299553 /nfs/dbraw/zinc/29/95/53/780299553.db2.gz IIHRMOJPBBRDCU-GMTAPVOTSA-N 1 1 320.415 -2.046 20 0 DAADMO CN(CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21)S(C)(=O)=O ZINC001221591266 780299728 /nfs/dbraw/zinc/29/97/28/780299728.db2.gz YZTYXSQZKUIKNB-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221591273 780299817 /nfs/dbraw/zinc/29/98/17/780299817.db2.gz ZKNAECZCFAQACS-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001221740568 780300328 /nfs/dbraw/zinc/30/03/28/780300328.db2.gz BOKRBVYGUHXPID-GHMZBOCLSA-N 1 1 310.358 -1.635 20 0 DAADMO CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001221730480 780301043 /nfs/dbraw/zinc/30/10/43/780301043.db2.gz JNVKKFQJNXSOLM-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221780921 780301198 /nfs/dbraw/zinc/30/11/98/780301198.db2.gz ASMVEQOMRRPONF-VXGBXAGGSA-N 1 1 312.370 -1.843 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001221775284 780301735 /nfs/dbraw/zinc/30/17/35/780301735.db2.gz PWMMPMCOPBPIQU-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001221775284 780301742 /nfs/dbraw/zinc/30/17/42/780301742.db2.gz PWMMPMCOPBPIQU-IJLUTSLNSA-N 1 1 323.397 -1.321 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221731614 780301787 /nfs/dbraw/zinc/30/17/87/780301787.db2.gz LOJGCSUGHXFGCD-JHJVBQTASA-N 1 1 311.382 -1.336 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001221870977 780302727 /nfs/dbraw/zinc/30/27/27/780302727.db2.gz QFEXGVVMPVCOQM-GRYCIOLGSA-N 1 1 320.393 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001221870977 780302737 /nfs/dbraw/zinc/30/27/37/780302737.db2.gz QFEXGVVMPVCOQM-GRYCIOLGSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC2(C1)NC(=O)NC2=O ZINC001221814044 780302889 /nfs/dbraw/zinc/30/28/89/780302889.db2.gz HLHOPZIQMDODIA-UWVGGRQHSA-N 1 1 323.353 -1.547 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221842051 780303043 /nfs/dbraw/zinc/30/30/43/780303043.db2.gz UFVLPTBEUUSPPY-GHMZBOCLSA-N 1 1 322.406 -1.115 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221842051 780303045 /nfs/dbraw/zinc/30/30/45/780303045.db2.gz UFVLPTBEUUSPPY-GHMZBOCLSA-N 1 1 322.406 -1.115 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC2(C1)NC(=O)NC2=O ZINC001221814043 780303135 /nfs/dbraw/zinc/30/31/35/780303135.db2.gz HLHOPZIQMDODIA-NXEZZACHSA-N 1 1 323.353 -1.547 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221834275 780303418 /nfs/dbraw/zinc/30/34/18/780303418.db2.gz RLLZRTCSZKLKGD-HBNTYKKESA-N 1 1 305.400 -1.551 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)n1 ZINC001221869140 780303683 /nfs/dbraw/zinc/30/36/83/780303683.db2.gz YPPIFUTVBGZCKW-DGCLKSJQSA-N 1 1 309.370 -1.030 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001221870978 780304086 /nfs/dbraw/zinc/30/40/86/780304086.db2.gz QFEXGVVMPVCOQM-IJLUTSLNSA-N 1 1 320.393 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001221870978 780304093 /nfs/dbraw/zinc/30/40/93/780304093.db2.gz QFEXGVVMPVCOQM-IJLUTSLNSA-N 1 1 320.393 -1.066 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221935365 780305104 /nfs/dbraw/zinc/30/51/04/780305104.db2.gz FQZTWDMFGYXOJE-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221989111 780305139 /nfs/dbraw/zinc/30/51/39/780305139.db2.gz WLKFRDCMBOVTRX-GHMZBOCLSA-N 1 1 305.400 -1.597 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001221958277 780306297 /nfs/dbraw/zinc/30/62/97/780306297.db2.gz OAYPTTBVVZASLP-FVCCEPFGSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001222042569 780307812 /nfs/dbraw/zinc/30/78/12/780307812.db2.gz GFGXISXZCZUGDS-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO Cn1nncc1C[NH+]1CCC(CNC(=O)CNC(N)=O)CC1 ZINC001222342875 780308725 /nfs/dbraw/zinc/30/87/25/780308725.db2.gz RXQQALQBNWNULH-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222252023 780309933 /nfs/dbraw/zinc/30/99/33/780309933.db2.gz WDKZFOWLBJSIDV-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001276839465 780313180 /nfs/dbraw/zinc/31/31/80/780313180.db2.gz JECUCGOSGBSPFR-DCAQKATOSA-N 1 1 308.382 -1.046 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001223053971 780314266 /nfs/dbraw/zinc/31/42/66/780314266.db2.gz LVWHEMUOVPWLGM-SCZZXKLOSA-N 1 1 321.341 -1.464 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]n3)C[C@@H]21 ZINC001223053971 780314273 /nfs/dbraw/zinc/31/42/73/780314273.db2.gz LVWHEMUOVPWLGM-SCZZXKLOSA-N 1 1 321.341 -1.464 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001223277732 780316356 /nfs/dbraw/zinc/31/63/56/780316356.db2.gz NIELZGJKJBXENP-WOPDTQHZSA-N 1 1 324.385 -1.246 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)NC1=O ZINC001276901979 780318388 /nfs/dbraw/zinc/31/83/88/780318388.db2.gz XENPHKXKNQWDSO-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)NC1=O ZINC001276901979 780318397 /nfs/dbraw/zinc/31/83/97/780318397.db2.gz XENPHKXKNQWDSO-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)NC1=O ZINC001276901988 780318438 /nfs/dbraw/zinc/31/84/38/780318438.db2.gz XENPHKXKNQWDSO-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)NC1=O ZINC001276901988 780318445 /nfs/dbraw/zinc/31/84/45/780318445.db2.gz XENPHKXKNQWDSO-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCNC(N)=O)C[C@@H]21 ZINC001224103360 780319288 /nfs/dbraw/zinc/31/92/88/780319288.db2.gz PXGYXRJVBJETAV-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001276970598 780321178 /nfs/dbraw/zinc/32/11/78/780321178.db2.gz SIBRVKIAZZGOTA-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001276970598 780321182 /nfs/dbraw/zinc/32/11/82/780321182.db2.gz SIBRVKIAZZGOTA-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)c2cnon2)CC1 ZINC001224894275 780323346 /nfs/dbraw/zinc/32/33/46/780323346.db2.gz JCBOZQCLAIQPNO-UHFFFAOYSA-N 1 1 324.341 -1.033 20 0 DAADMO O=C(NCCNC(=O)c1ccn[nH]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001224876236 780324449 /nfs/dbraw/zinc/32/44/49/780324449.db2.gz UFZDGWSZMFBYLM-JTQLQIEISA-N 1 1 310.358 -1.495 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)CNC(C)=O)CC1 ZINC001225823302 780328091 /nfs/dbraw/zinc/32/80/91/780328091.db2.gz BAQBWCYFZJHUIR-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225964234 780329246 /nfs/dbraw/zinc/32/92/46/780329246.db2.gz NSCSFWUOFUXNKM-UHFFFAOYSA-N 1 1 310.318 -2.551 20 0 DAADMO Cc1cnn(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)c1 ZINC001226308783 780333117 /nfs/dbraw/zinc/33/31/17/780333117.db2.gz GXUMQOTVHQAEHI-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001226554373 780334338 /nfs/dbraw/zinc/33/43/38/780334338.db2.gz LDMXECGDIUFIIF-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001226732602 780335076 /nfs/dbraw/zinc/33/50/76/780335076.db2.gz SQBARBSKEBCTMG-JTQLQIEISA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2ccon2)CC1 ZINC001226681431 780335861 /nfs/dbraw/zinc/33/58/61/780335861.db2.gz MDKQAXPRHMFBLL-UHFFFAOYSA-N 1 1 309.326 -1.007 20 0 DAADMO CCOCCNC(=O)C[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226698774 780336143 /nfs/dbraw/zinc/33/61/43/780336143.db2.gz JJMZAJCXYROGLL-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226732637 780336180 /nfs/dbraw/zinc/33/61/80/780336180.db2.gz VJJWNUMETPTQSS-UHFFFAOYSA-N 1 1 320.415 -1.618 20 0 DAADMO Cn1ncc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)c1N ZINC001226951896 780336964 /nfs/dbraw/zinc/33/69/64/780336964.db2.gz MCSZRKHXCZUBGE-UHFFFAOYSA-N 1 1 323.357 -1.609 20 0 DAADMO CNC(=O)CC(=O)NC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001227040990 780337513 /nfs/dbraw/zinc/33/75/13/780337513.db2.gz KBSFAXZMEHUSPB-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)CC(=O)NC1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC001227023530 780337939 /nfs/dbraw/zinc/33/79/39/780337939.db2.gz HWRHWTXYQAQJBL-UHFFFAOYSA-N 1 1 313.358 -1.841 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001227049694 780338611 /nfs/dbraw/zinc/33/86/11/780338611.db2.gz KDMCPVRKSSXRDK-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1nnc(CC(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)o1 ZINC001227151030 780338673 /nfs/dbraw/zinc/33/86/73/780338673.db2.gz CJYCKXNIIOCTCX-UHFFFAOYSA-N 1 1 324.341 -1.304 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001227174502 780339455 /nfs/dbraw/zinc/33/94/55/780339455.db2.gz ZBDBUDAFSXUVQD-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227050323 780339620 /nfs/dbraw/zinc/33/96/20/780339620.db2.gz XEVWWGLUSSKBHU-ZETCQYMHSA-N 1 1 314.346 -2.181 20 0 DAADMO C[C@@H](CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001227362513 780340442 /nfs/dbraw/zinc/34/04/42/780340442.db2.gz VPOHIDIPHWLLIS-ONGXEEELSA-N 1 1 311.386 -1.098 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227317261 780341480 /nfs/dbraw/zinc/34/14/80/780341480.db2.gz CUYPAEWJULEXSP-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CCCN2C(=O)CCC2=O)CC1 ZINC001227669304 780342813 /nfs/dbraw/zinc/34/28/13/780342813.db2.gz PJAQQFZFSMVVPC-UHFFFAOYSA-N 1 1 324.381 -1.019 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001227645625 780342912 /nfs/dbraw/zinc/34/29/12/780342912.db2.gz VATYADJMWDTEMY-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NCC(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001227684914 780343072 /nfs/dbraw/zinc/34/30/72/780343072.db2.gz OCKJJGMHUOKYSD-UHFFFAOYSA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCC(=O)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001227676904 780343094 /nfs/dbraw/zinc/34/30/94/780343094.db2.gz UKLPBHWVUDAMHT-UHFFFAOYSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCNS(C)(=O)=O)CC1 ZINC001227645282 780343338 /nfs/dbraw/zinc/34/33/38/780343338.db2.gz KCMIXFCCYUQMJX-VIFPVBQESA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCC(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001227685259 780344515 /nfs/dbraw/zinc/34/45/15/780344515.db2.gz WNIXRTKOCFLVEK-UHFFFAOYSA-N 1 1 311.386 -1.225 20 0 DAADMO CCC[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)S(N)(=O)=O ZINC001228448670 780347592 /nfs/dbraw/zinc/34/75/92/780347592.db2.gz PATCHBQCXHWMSJ-SNVBAGLBSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2ncn(C)c2=O)CC1 ZINC001228448592 780347762 /nfs/dbraw/zinc/34/77/62/780347762.db2.gz MCVOBOYGAKETOJ-SNVBAGLBSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228312276 780347893 /nfs/dbraw/zinc/34/78/93/780347893.db2.gz FQNOXNQHZLAISH-NXEZZACHSA-N 1 1 321.385 -1.007 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001228560479 780349747 /nfs/dbraw/zinc/34/97/47/780349747.db2.gz WGACMMXGLVSPEL-QMMMGPOBSA-N 1 1 323.357 -1.109 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@]2(F)CCOC2)CC1 ZINC001228827509 780350752 /nfs/dbraw/zinc/35/07/52/780350752.db2.gz VRMPKFJDOZLOEA-ZDUSSCGKSA-N 1 1 316.333 -1.110 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC[C@H]2CCOC2)CC1 ZINC001228912746 780352429 /nfs/dbraw/zinc/35/24/29/780352429.db2.gz SZGFTWWZQULWPN-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1)NCC1CC1 ZINC001228895694 780352818 /nfs/dbraw/zinc/35/28/18/780352818.db2.gz OUFRHQUBYHVFHF-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC001228904922 780353281 /nfs/dbraw/zinc/35/32/81/780353281.db2.gz ZEMOWUVYXFKQQC-LLVKDONJSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)C2(C(N)=O)CC2)CC1 ZINC001228920626 780353319 /nfs/dbraw/zinc/35/33/19/780353319.db2.gz WKLYSYAQLLUTFC-UHFFFAOYSA-N 1 1 311.342 -1.973 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001228895308 780353511 /nfs/dbraw/zinc/35/35/11/780353511.db2.gz KJRDYXHBZSWCGZ-QMMMGPOBSA-N 1 1 312.330 -2.557 20 0 DAADMO COC[C@H](OC)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229114227 780354815 /nfs/dbraw/zinc/35/48/15/780354815.db2.gz IUGFANWZNOCHEN-JTQLQIEISA-N 1 1 316.358 -1.577 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001229592910 780355860 /nfs/dbraw/zinc/35/58/60/780355860.db2.gz MZCOZSWVECJIQH-UHFFFAOYSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001229355805 780356324 /nfs/dbraw/zinc/35/63/24/780356324.db2.gz LHMUSCYYMJLDDC-IUCAKERBSA-N 1 1 320.415 -1.622 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001229355634 780356744 /nfs/dbraw/zinc/35/67/44/780356744.db2.gz HBZVSSXOHVQQOD-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO O=C(CCn1cnnn1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001229741177 780357568 /nfs/dbraw/zinc/35/75/68/780357568.db2.gz VWWAGGPSARXHCW-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001229740762 780357589 /nfs/dbraw/zinc/35/75/89/780357589.db2.gz ODOOKKPZFMUZPC-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)F)CC1 ZINC001229763217 780358866 /nfs/dbraw/zinc/35/88/66/780358866.db2.gz QACZKNBWBDKKJG-UHFFFAOYSA-N 1 1 324.303 -1.009 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001229670590 780359147 /nfs/dbraw/zinc/35/91/47/780359147.db2.gz JWFWRYUMVDRDLD-SSDOTTSWSA-N 1 1 310.314 -1.153 20 0 DAADMO Cn1cncc1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230035314 780360700 /nfs/dbraw/zinc/36/07/00/780360700.db2.gz SBJTWRLDMJBIID-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)COCc2nncn2C)CC1 ZINC001229858398 780360867 /nfs/dbraw/zinc/36/08/67/780360867.db2.gz DDIUEJYCYPKTQM-SNVBAGLBSA-N 1 1 324.385 -1.214 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001230285023 780361541 /nfs/dbraw/zinc/36/15/41/780361541.db2.gz HRPLGEMQJRNZCF-SNVBAGLBSA-N 1 1 318.399 -1.995 20 0 DAADMO NC(=O)NCCC(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001230216852 780362026 /nfs/dbraw/zinc/36/20/26/780362026.db2.gz HPYKBNAOWCJXLN-UHFFFAOYSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001230221835 780362240 /nfs/dbraw/zinc/36/22/40/780362240.db2.gz LHZKAHUTLMRUJW-VIFPVBQESA-N 1 1 311.342 -1.960 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001230285238 780362292 /nfs/dbraw/zinc/36/22/92/780362292.db2.gz UPSJDWHKWOHEHI-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CS(=O)(=O)NC)CC1 ZINC001230279673 780362438 /nfs/dbraw/zinc/36/24/38/780362438.db2.gz WASQRWQLLWTGAM-UHFFFAOYSA-N 1 1 306.388 -2.138 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001230204203 780362501 /nfs/dbraw/zinc/36/25/01/780362501.db2.gz XVVBUJBTSLDZEW-UHFFFAOYSA-N 1 1 324.381 -1.148 20 0 DAADMO Cc1nonc1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230442185 780366520 /nfs/dbraw/zinc/36/65/20/780366520.db2.gz DAQCATPFWTUSFE-UHFFFAOYSA-N 1 1 310.314 -1.233 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001230509413 780367451 /nfs/dbraw/zinc/36/74/51/780367451.db2.gz YGWGEROZMSVXDB-NSHDSACASA-N 1 1 311.386 -1.157 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001230641455 780369314 /nfs/dbraw/zinc/36/93/14/780369314.db2.gz NAEOZZFJJQFSTM-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001230641455 780369321 /nfs/dbraw/zinc/36/93/21/780369321.db2.gz NAEOZZFJJQFSTM-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277461814 780370176 /nfs/dbraw/zinc/37/01/76/780370176.db2.gz BEQAOESVYRHQQP-GHMZBOCLSA-N 1 1 316.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750261 780373163 /nfs/dbraw/zinc/37/31/63/780373163.db2.gz ULAWDDDSMKZLTP-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750261 780373172 /nfs/dbraw/zinc/37/31/72/780373172.db2.gz ULAWDDDSMKZLTP-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)Cn1cnnn1 ZINC001230750224 780373986 /nfs/dbraw/zinc/37/39/86/780373986.db2.gz TZDKONLUSXASFL-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)Cn1cnnn1 ZINC001230750224 780373993 /nfs/dbraw/zinc/37/39/93/780373993.db2.gz TZDKONLUSXASFL-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO COC[C@H](O)C[N@@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835530 780374977 /nfs/dbraw/zinc/37/49/77/780374977.db2.gz KRNVDAHUKAYPHY-CYBMUJFWSA-N 1 1 324.381 -1.118 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1COCCO1 ZINC001230822638 780376410 /nfs/dbraw/zinc/37/64/10/780376410.db2.gz ALIZUWWZOVIHAA-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@@H]1COCCO1 ZINC001230822638 780376416 /nfs/dbraw/zinc/37/64/16/780376416.db2.gz ALIZUWWZOVIHAA-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C1=COCCO1)[C@H]1CCNC1=O ZINC001277470254 780376494 /nfs/dbraw/zinc/37/64/94/780376494.db2.gz ZCSXRBXFEBWORR-NSHDSACASA-N 1 1 313.354 -1.172 20 0 DAADMO C[C@@]1(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCNC1=O ZINC001230964443 780376932 /nfs/dbraw/zinc/37/69/32/780376932.db2.gz ALBGKRVTTYLAFQ-IINYFYTJSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@H]1COCCO1 ZINC001277476103 780377487 /nfs/dbraw/zinc/37/74/87/780377487.db2.gz MNKDMALAXXRWNH-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001277476100 780377545 /nfs/dbraw/zinc/37/75/45/780377545.db2.gz MNKDMALAXXRWNH-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001230952173 780378092 /nfs/dbraw/zinc/37/80/92/780378092.db2.gz HKNQIZJYBWIBQV-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO C[N@H+](CCOCCNC(=O)c1ccon1)CC(=O)NC(N)=O ZINC001277476253 780378239 /nfs/dbraw/zinc/37/82/39/780378239.db2.gz SGUHTBNIFJIGFC-UHFFFAOYSA-N 1 1 313.314 -1.452 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1ccon1)CC(=O)NC(N)=O ZINC001277476253 780378242 /nfs/dbraw/zinc/37/82/42/780378242.db2.gz SGUHTBNIFJIGFC-UHFFFAOYSA-N 1 1 313.314 -1.452 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231278582 780379052 /nfs/dbraw/zinc/37/90/52/780379052.db2.gz LNEHCXJHZZIVMJ-CYBMUJFWSA-N 1 1 319.402 -1.416 20 0 DAADMO CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001231218589 780379322 /nfs/dbraw/zinc/37/93/22/780379322.db2.gz XFBKRXYAPCXYTQ-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C(=O)CC(N)=O ZINC001231360331 780381275 /nfs/dbraw/zinc/38/12/75/780381275.db2.gz VWVYNKXAJGRMBY-VXGBXAGGSA-N 1 1 309.370 -1.348 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CCN1C(=O)CCC1=O ZINC001231285875 780381717 /nfs/dbraw/zinc/38/17/17/780381717.db2.gz XMRGMURCKGUZFC-UHFFFAOYSA-N 1 1 312.370 -1.290 20 0 DAADMO Cn1ncc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCN(C)C2=O)n1 ZINC001277528578 780382664 /nfs/dbraw/zinc/38/26/64/780382664.db2.gz MTUWMECAPTZSGB-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO Cn1ncc(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCN(C)C2=O)n1 ZINC001277528557 780383109 /nfs/dbraw/zinc/38/31/09/780383109.db2.gz MTUWMECAPTZSGB-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231401497 780383975 /nfs/dbraw/zinc/38/39/75/780383975.db2.gz KJLZSDBOVQPGIN-GFCCVEGCSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)c1cccn(C)c1=O ZINC001277535446 780384514 /nfs/dbraw/zinc/38/45/14/780384514.db2.gz JWBJXPVSLUZSFI-NSHDSACASA-N 1 1 324.381 -1.063 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)c1cccn(C)c1=O ZINC001277535445 780384619 /nfs/dbraw/zinc/38/46/19/780384619.db2.gz JWBJXPVSLUZSFI-LLVKDONJSA-N 1 1 324.381 -1.063 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@@H]21 ZINC001277525817 780384681 /nfs/dbraw/zinc/38/46/81/780384681.db2.gz WZHSQECHFGDDED-IHRRRGAJSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@@H]21 ZINC001277525817 780384690 /nfs/dbraw/zinc/38/46/90/780384690.db2.gz WZHSQECHFGDDED-IHRRRGAJSA-N 1 1 313.398 -1.125 20 0 DAADMO COCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771402 780384986 /nfs/dbraw/zinc/38/49/86/780384986.db2.gz QDCJVWZIMCHCTA-GFCCVEGCSA-N 1 1 324.381 -1.189 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CCOCCO)C1 ZINC001277574931 780385013 /nfs/dbraw/zinc/38/50/13/780385013.db2.gz CPXXDXYDXRAICT-ZDUSSCGKSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CCOCCO)C1 ZINC001277574931 780385021 /nfs/dbraw/zinc/38/50/21/780385021.db2.gz CPXXDXYDXRAICT-ZDUSSCGKSA-N 1 1 301.387 -1.532 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC001231772036 780385151 /nfs/dbraw/zinc/38/51/51/780385151.db2.gz JISHMQMLJOPUGQ-JTQLQIEISA-N 1 1 301.368 -1.297 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC001231772036 780385158 /nfs/dbraw/zinc/38/51/58/780385158.db2.gz JISHMQMLJOPUGQ-JTQLQIEISA-N 1 1 301.368 -1.297 20 0 DAADMO COC(=O)[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1C ZINC001231771772 780385377 /nfs/dbraw/zinc/38/53/77/780385377.db2.gz DMUKXPXHEUKQMU-LLVKDONJSA-N 1 1 310.354 -1.627 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCN1C ZINC001231771772 780385386 /nfs/dbraw/zinc/38/53/86/780385386.db2.gz DMUKXPXHEUKQMU-LLVKDONJSA-N 1 1 310.354 -1.627 20 0 DAADMO CN(C)C(=O)CC[N@@H+]1C[C@H]2CN(CC(=O)N(C)C)C[C@@H](C1)O2 ZINC001277636589 780386413 /nfs/dbraw/zinc/38/64/13/780386413.db2.gz LBEFQEYLZNZCNP-BETUJISGSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)N(C)C ZINC001277636281 780387354 /nfs/dbraw/zinc/38/73/54/780387354.db2.gz IXOHNVHVOLAPTC-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001233580533 780390061 /nfs/dbraw/zinc/39/00/61/780390061.db2.gz PNKISPLKWIQUJP-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001233598003 780390132 /nfs/dbraw/zinc/39/01/32/780390132.db2.gz DPSHAGUZWHBMER-SNVBAGLBSA-N 1 1 323.353 -1.045 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001233580079 780390255 /nfs/dbraw/zinc/39/02/55/780390255.db2.gz MEOUXZFGYYZRMW-ONGXEEELSA-N 1 1 312.370 -1.246 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001233713009 780393192 /nfs/dbraw/zinc/39/31/92/780393192.db2.gz IQFAMXNNTCOUJM-JTQLQIEISA-N 1 1 320.415 -1.473 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCN1CCCC1=O ZINC001233751786 780393354 /nfs/dbraw/zinc/39/33/54/780393354.db2.gz WRHYHPFWDCLKRS-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233721420 780393450 /nfs/dbraw/zinc/39/34/50/780393450.db2.gz DCJBCMVISJWDIR-MRVPVSSYSA-N 1 1 316.362 -2.063 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)Cn2cnnn2)C1=O ZINC001233751513 780393901 /nfs/dbraw/zinc/39/39/01/780393901.db2.gz URQONFACRPUKEO-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCCC1=O)CC(=O)NC(N)=O ZINC001233785414 780394429 /nfs/dbraw/zinc/39/44/29/780394429.db2.gz ZBVJGRPLDPKVTJ-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCCC1=O)[C@H]1CCC(=O)NC1=O ZINC001233794619 780394560 /nfs/dbraw/zinc/39/45/60/780394560.db2.gz ZEIVHUNCYZNAEJ-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233784347 780394935 /nfs/dbraw/zinc/39/49/35/780394935.db2.gz OVIQLLFCTDSFAC-QMMMGPOBSA-N 1 1 312.334 -2.305 20 0 DAADMO CCn1nncc1C[N@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233774362 780394956 /nfs/dbraw/zinc/39/49/56/780394956.db2.gz GKJOAXPQAUHJDY-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CCn1nncc1C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233774362 780394962 /nfs/dbraw/zinc/39/49/62/780394962.db2.gz GKJOAXPQAUHJDY-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)C[C@@H](O)Cn1cccn1 ZINC001233784352 780395097 /nfs/dbraw/zinc/39/50/97/780395097.db2.gz PCEANONQQSWFSH-GFCCVEGCSA-N 1 1 322.373 -1.631 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCOCC1 ZINC001233753530 780395483 /nfs/dbraw/zinc/39/54/83/780395483.db2.gz ZMTNTNWGBQHWAB-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO C[N@H+](CCCNC(=O)Cn1cnnn1)CC(=O)Nc1ccon1 ZINC001233783579 780395621 /nfs/dbraw/zinc/39/56/21/780395621.db2.gz DKWWKTGBXACVIK-UHFFFAOYSA-N 1 1 322.329 -1.262 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CC(=O)Nc1ccon1 ZINC001233783579 780395632 /nfs/dbraw/zinc/39/56/32/780395632.db2.gz DKWWKTGBXACVIK-UHFFFAOYSA-N 1 1 322.329 -1.262 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)C[C@H](O)Cn1cccn1 ZINC001233784354 780396123 /nfs/dbraw/zinc/39/61/23/780396123.db2.gz PCEANONQQSWFSH-LBPRGKRZSA-N 1 1 322.373 -1.631 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)CN1CN=NC1=O ZINC001233846231 780396934 /nfs/dbraw/zinc/39/69/34/780396934.db2.gz FOEIWHXCJRDRLG-LLVKDONJSA-N 1 1 313.358 -1.475 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846348 780397313 /nfs/dbraw/zinc/39/73/13/780397313.db2.gz GBPHXAWIWISNNP-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846348 780397322 /nfs/dbraw/zinc/39/73/22/780397322.db2.gz GBPHXAWIWISNNP-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847795 780397658 /nfs/dbraw/zinc/39/76/58/780397658.db2.gz SLOSCEXZSCJYKX-QWRGUYRKSA-N 1 1 313.358 -1.476 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001233881608 780399168 /nfs/dbraw/zinc/39/91/68/780399168.db2.gz ROVDAUCVMQDVOQ-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001233881608 780399177 /nfs/dbraw/zinc/39/91/77/780399177.db2.gz ROVDAUCVMQDVOQ-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001233857674 780399279 /nfs/dbraw/zinc/39/92/79/780399279.db2.gz TZKRJYNRZPXAHT-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1cccn1 ZINC001233946484 780401786 /nfs/dbraw/zinc/40/17/86/780401786.db2.gz AHYJDQJNKUAZMR-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001234173526 780404127 /nfs/dbraw/zinc/40/41/27/780404127.db2.gz VABAZODERVYRNY-NSHDSACASA-N 1 1 312.370 -1.292 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001234285668 780405462 /nfs/dbraw/zinc/40/54/62/780405462.db2.gz HSRXNOPGVBPUKS-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001277846909 780405550 /nfs/dbraw/zinc/40/55/50/780405550.db2.gz UZGHWZJMCQOPTF-SCZZXKLOSA-N 1 1 323.357 -1.650 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377703 780407354 /nfs/dbraw/zinc/40/73/54/780407354.db2.gz HKICCMCLSPCGOM-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377703 780407358 /nfs/dbraw/zinc/40/73/58/780407358.db2.gz HKICCMCLSPCGOM-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO COCCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413987 780408302 /nfs/dbraw/zinc/40/83/02/780408302.db2.gz MQHKAXMGXJBLSX-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413262 780408374 /nfs/dbraw/zinc/40/83/74/780408374.db2.gz IBBZSKGGNFGUHX-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(=O)C1CC1)CCOCCO ZINC001234390906 780408460 /nfs/dbraw/zinc/40/84/60/780408460.db2.gz QQWKSLMPRYGEGA-UHFFFAOYSA-N 1 1 301.387 -1.040 20 0 DAADMO CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413953 780408559 /nfs/dbraw/zinc/40/85/59/780408559.db2.gz LYLMQSVUUQPECU-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413203 780408769 /nfs/dbraw/zinc/40/87/69/780408769.db2.gz HONLYKRWHAHRCE-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)CNC(=O)C1CC1 ZINC001234391073 780409107 /nfs/dbraw/zinc/40/91/07/780409107.db2.gz WKYIQMUVKLTORQ-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001234446668 780409158 /nfs/dbraw/zinc/40/91/58/780409158.db2.gz QWLZTOLURYFNNR-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413205 780409199 /nfs/dbraw/zinc/40/91/99/780409199.db2.gz HONLYKRWHAHRCE-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001234446665 780409327 /nfs/dbraw/zinc/40/93/27/780409327.db2.gz QWLZTOLURYFNNR-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COC(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ncnn1C ZINC001277864738 780410093 /nfs/dbraw/zinc/41/00/93/780410093.db2.gz MPCMEXPSIRQMIS-PHIMTYICSA-N 1 1 323.353 -1.097 20 0 DAADMO COC(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ncnn1C ZINC001277864738 780410099 /nfs/dbraw/zinc/41/00/99/780410099.db2.gz MPCMEXPSIRQMIS-PHIMTYICSA-N 1 1 323.353 -1.097 20 0 DAADMO C[N@H+](CCCNC(=O)c1ccon1)CC(=O)N1CCNC(=O)C1 ZINC001234512763 780410218 /nfs/dbraw/zinc/41/02/18/780410218.db2.gz NHYKCLRURWTGIU-UHFFFAOYSA-N 1 1 323.353 -1.315 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ccon1)CC(=O)N1CCNC(=O)C1 ZINC001234512763 780410220 /nfs/dbraw/zinc/41/02/20/780410220.db2.gz NHYKCLRURWTGIU-UHFFFAOYSA-N 1 1 323.353 -1.315 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1nccn1 ZINC001234574534 780410876 /nfs/dbraw/zinc/41/08/76/780410876.db2.gz UCNQIRJLIXSWRE-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1nccn1 ZINC001234574534 780410880 /nfs/dbraw/zinc/41/08/80/780410880.db2.gz UCNQIRJLIXSWRE-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCNS(C)(=O)=O ZINC001234922159 780411740 /nfs/dbraw/zinc/41/17/40/780411740.db2.gz IMMBMSFDSXTMMB-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235009276 780413569 /nfs/dbraw/zinc/41/35/69/780413569.db2.gz XCHMFVIPOWBBGO-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001234975883 780413793 /nfs/dbraw/zinc/41/37/93/780413793.db2.gz RKQLUWHUUWRKEY-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1ccnn1C ZINC001235289343 780414767 /nfs/dbraw/zinc/41/47/67/780414767.db2.gz LAXUUOBTSNEYNG-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCCS1(=O)=O ZINC001235051129 780415050 /nfs/dbraw/zinc/41/50/50/780415050.db2.gz KILPFSQKYDDOFU-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001235050249 780415139 /nfs/dbraw/zinc/41/51/39/780415139.db2.gz DLBHPJVLVPXVFZ-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001235050249 780415140 /nfs/dbraw/zinc/41/51/40/780415140.db2.gz DLBHPJVLVPXVFZ-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCCS1(=O)=O ZINC001235051130 780415200 /nfs/dbraw/zinc/41/52/00/780415200.db2.gz KILPFSQKYDDOFU-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235525969 780416941 /nfs/dbraw/zinc/41/69/41/780416941.db2.gz MRHFOIKGEIRLRM-IUCAKERBSA-N 1 1 314.342 -1.572 20 0 DAADMO CN(C[C@H]1CCN1CC(N)=O)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304678 780416979 /nfs/dbraw/zinc/41/69/79/780416979.db2.gz UCZNFVJJSCJGBW-CHWSQXEVSA-N 1 1 322.413 -1.169 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001235487738 780417136 /nfs/dbraw/zinc/41/71/36/780417136.db2.gz FCJJAKWBHNFUGL-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)CCN1CCNC1=O ZINC001235745163 780418232 /nfs/dbraw/zinc/41/82/32/780418232.db2.gz KYJUMOBOLRHFTD-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cccnc1=O ZINC001277955774 780418438 /nfs/dbraw/zinc/41/84/38/780418438.db2.gz UUPVVDJKOXZMKD-RWMBFGLXSA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235766231 780418484 /nfs/dbraw/zinc/41/84/84/780418484.db2.gz HMNHNOIYWUVQBF-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[N@H+](CCCNC(=O)c1cocn1)CC(=O)N1CCNC(=O)C1 ZINC001235716857 780418599 /nfs/dbraw/zinc/41/85/99/780418599.db2.gz VLIYAFLNXPFGHC-UHFFFAOYSA-N 1 1 323.353 -1.315 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cocn1)CC(=O)N1CCNC(=O)C1 ZINC001235716857 780418605 /nfs/dbraw/zinc/41/86/05/780418605.db2.gz VLIYAFLNXPFGHC-UHFFFAOYSA-N 1 1 323.353 -1.315 20 0 DAADMO NC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CCN1 ZINC001235760449 780419044 /nfs/dbraw/zinc/41/90/44/780419044.db2.gz PTJCNTJRWXWXBN-ZDUSSCGKSA-N 1 1 304.398 -1.250 20 0 DAADMO NC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CCN1 ZINC001235760445 780419160 /nfs/dbraw/zinc/41/91/60/780419160.db2.gz PTJCNTJRWXWXBN-CYBMUJFWSA-N 1 1 304.398 -1.250 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001235755810 780419213 /nfs/dbraw/zinc/41/92/13/780419213.db2.gz NQSXMMKSWAOHBZ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001278009675 780421783 /nfs/dbraw/zinc/42/17/83/780421783.db2.gz CAMVJAFYRRDUIG-SNVBAGLBSA-N 1 1 322.369 -1.099 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(C)(NC(=O)CC(N)=O)CC1 ZINC001278039594 780423003 /nfs/dbraw/zinc/42/30/03/780423003.db2.gz WNBYBZWBZINSOT-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001278087700 780427593 /nfs/dbraw/zinc/42/75/93/780427593.db2.gz JMKVFKNSOXRWFC-UHFFFAOYSA-N 1 1 324.381 -1.148 20 0 DAADMO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O ZINC001278145954 780430159 /nfs/dbraw/zinc/43/01/59/780430159.db2.gz CTJVORZCHDUKGF-GHMZBOCLSA-N 1 1 316.402 -1.569 20 0 DAADMO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001278145955 780430901 /nfs/dbraw/zinc/43/09/01/780430901.db2.gz CTJVORZCHDUKGF-MNOVXSKESA-N 1 1 316.402 -1.569 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@]2(C)CCNC2=O)cn1 ZINC001278156160 780432064 /nfs/dbraw/zinc/43/20/64/780432064.db2.gz VWENUILFHOPVJN-WFASDCNBSA-N 1 1 321.381 -1.122 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001278171789 780433401 /nfs/dbraw/zinc/43/34/01/780433401.db2.gz MMMWIYVZBGXQJD-LBPRGKRZSA-N 1 1 323.397 -1.179 20 0 DAADMO O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(O)CCNC[C@@H]1F ZINC001238063791 780434977 /nfs/dbraw/zinc/43/49/77/780434977.db2.gz IXIIYGCSOPXCMM-NWDGAFQWSA-N 1 1 309.407 -1.032 20 0 DAADMO Cc1ccc(NC(=O)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)cc1 ZINC001278194084 780435005 /nfs/dbraw/zinc/43/50/05/780435005.db2.gz GRINSRPLDXDCPZ-NSHDSACASA-N 1 1 308.338 -1.514 20 0 DAADMO CCOC(=O)[C@H]1NC[C@@H]2[C@H](NS(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001238323622 780436242 /nfs/dbraw/zinc/43/62/42/780436242.db2.gz FVIFDLMAGWMAGZ-MMWGEVLESA-N 1 1 305.400 -1.206 20 0 DAADMO CCOC(=O)C1=C(NS(=O)(=O)CS(C)(=O)=O)C[NH2+]C1 ZINC001238780861 780439480 /nfs/dbraw/zinc/43/94/80/780439480.db2.gz LIAGNPYZIAGYDL-UHFFFAOYSA-N 1 1 312.369 -1.672 20 0 DAADMO CNC(=O)C1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001278349266 780445343 /nfs/dbraw/zinc/44/53/43/780445343.db2.gz DMVHOXMYODKKEW-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278420936 780446081 /nfs/dbraw/zinc/44/60/81/780446081.db2.gz QCKGIUUUXRPMDK-MFKMUULPSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@]1(NC(=O)C(N)=O)CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001278420936 780446086 /nfs/dbraw/zinc/44/60/86/780446086.db2.gz QCKGIUUUXRPMDK-MFKMUULPSA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@]1(NC(=O)CC(N)=O)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001278376257 780446642 /nfs/dbraw/zinc/44/66/42/780446642.db2.gz ZCLGKLKFZZIGBT-CQSZACIVSA-N 1 1 310.354 -1.409 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001278421550 780448388 /nfs/dbraw/zinc/44/83/88/780448388.db2.gz VVSACMLDBZNFNN-GWCFXTLKSA-N 1 1 300.359 -1.743 20 0 DAADMO COC(=O)C1(N)CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246046378 780449657 /nfs/dbraw/zinc/44/96/57/780449657.db2.gz QXQRNIRTMYANKP-LBPRGKRZSA-N 1 1 315.414 -1.182 20 0 DAADMO COC(=O)[C@@H]1CC[C@H](N[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CN1 ZINC001246134410 780450700 /nfs/dbraw/zinc/45/07/00/780450700.db2.gz RAJVCGSNJMOGDS-DCAQKATOSA-N 1 1 317.411 -1.601 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CCOCCO)C1 ZINC001278433347 780450764 /nfs/dbraw/zinc/45/07/64/780450764.db2.gz JNHPYUUCGWJPST-CYBMUJFWSA-N 1 1 312.374 -1.347 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278450594 780454041 /nfs/dbraw/zinc/45/40/41/780454041.db2.gz RIJJKUXSLBRKOO-LKFCYVNXSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001278450594 780454044 /nfs/dbraw/zinc/45/40/44/780454044.db2.gz RIJJKUXSLBRKOO-LKFCYVNXSA-N 1 1 310.354 -1.634 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246627555 780455696 /nfs/dbraw/zinc/45/56/96/780455696.db2.gz NAVVWFIBKUZQIK-MKBNYLNASA-N 1 1 322.409 -1.309 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246627554 780455846 /nfs/dbraw/zinc/45/58/46/780455846.db2.gz NAVVWFIBKUZQIK-BFQNTYOBSA-N 1 1 322.409 -1.309 20 0 DAADMO C[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1 ZINC001246522392 780455929 /nfs/dbraw/zinc/45/59/29/780455929.db2.gz CIIPMTKXBIPVLC-DSAGSKJYSA-N 1 1 304.387 -1.439 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CC(N3CCS(=O)(=O)CC3)C2)C[NH2+]1 ZINC001246821655 780456524 /nfs/dbraw/zinc/45/65/24/780456524.db2.gz TWBJHQPDTFCICB-PWSUYJOCSA-N 1 1 317.411 -1.696 20 0 DAADMO NC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCN1 ZINC001246798197 780456842 /nfs/dbraw/zinc/45/68/42/780456842.db2.gz SQVFWSDIWZEHCD-DCAQKATOSA-N 1 1 313.427 -1.991 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2Cc3cn(S(C)(=O)=O)nc3C2)C[NH2+]1 ZINC001246873185 780458281 /nfs/dbraw/zinc/45/82/81/780458281.db2.gz FHPBBJKISJSSAL-ZJUUUORDSA-N 1 1 314.367 -1.090 20 0 DAADMO CN(CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CC(N)=O ZINC001280905651 780460627 /nfs/dbraw/zinc/46/06/27/780460627.db2.gz GVBWPWFYPDNVFO-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC001250999957 780463849 /nfs/dbraw/zinc/46/38/49/780463849.db2.gz OAWWRXVZVKNARN-RXMQYKEDSA-N 1 1 300.237 -2.783 20 0 DAADMO COC(=O)c1ncc(=O)[nH]c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251044123 780464445 /nfs/dbraw/zinc/46/44/45/780464445.db2.gz VFXOGTGFYQZBSV-SECBINFHSA-N 1 1 312.326 -1.339 20 0 DAADMO CCOC(=O)CC1([NH2+]C[C@H](O)CN2CCOCC2)COC1 ZINC001251036521 780464480 /nfs/dbraw/zinc/46/44/80/780464480.db2.gz JDAZWIVQSNHNKM-LBPRGKRZSA-N 1 1 302.371 -1.009 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001251902155 780467155 /nfs/dbraw/zinc/46/71/55/780467155.db2.gz DTNLGQJBWZOQHH-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO O=C([C@@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1)N1CCOCC1 ZINC001252059507 780468604 /nfs/dbraw/zinc/46/86/04/780468604.db2.gz ZCGOVQDPQSJJJA-JSGCOSHPSA-N 1 1 324.381 -1.473 20 0 DAADMO O=C([C@@H]1Cn2nccc2C[N@@H+](C[C@H](O)CO)C1)N1CCOCC1 ZINC001252059507 780468609 /nfs/dbraw/zinc/46/86/09/780468609.db2.gz ZCGOVQDPQSJJJA-JSGCOSHPSA-N 1 1 324.381 -1.473 20 0 DAADMO NS(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)CO)CC2)cc1 ZINC001252056945 780468929 /nfs/dbraw/zinc/46/89/29/780468929.db2.gz UUSXBLSQGQVCCR-LBPRGKRZSA-N 1 1 315.395 -1.191 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001252058778 780469062 /nfs/dbraw/zinc/46/90/62/780469062.db2.gz IBTQBSWGKSQMHG-XKAARJIMSA-N 1 1 308.338 -1.741 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)CO)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001252058778 780469063 /nfs/dbraw/zinc/46/90/63/780469063.db2.gz IBTQBSWGKSQMHG-XKAARJIMSA-N 1 1 308.338 -1.741 20 0 DAADMO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2C[N@H+](C[C@H](O)CO)C[C@H]21 ZINC001252057954 780469268 /nfs/dbraw/zinc/46/92/68/780469268.db2.gz RPXVPCBWFMZNDI-YVECIDJPSA-N 1 1 322.365 -1.037 20 0 DAADMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C[C@H](O)CO)C2 ZINC001252058418 780469302 /nfs/dbraw/zinc/46/93/02/780469302.db2.gz CBFWARZPPDHOHN-DYEKYZERSA-N 1 1 302.371 -1.607 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[N@H+](C[C@H](O)CO)[C@@H]3CCCO[C@@H]32)cn1 ZINC001252059699 780469375 /nfs/dbraw/zinc/46/93/75/780469375.db2.gz HZHDABFIALSIPH-IGQOVBAYSA-N 1 1 324.381 -1.265 20 0 DAADMO Cn1cc(C(=O)N[C@H]2C[N@@H+](C[C@H](O)CO)[C@@H]3CCCO[C@@H]32)cn1 ZINC001252059699 780469377 /nfs/dbraw/zinc/46/93/77/780469377.db2.gz HZHDABFIALSIPH-IGQOVBAYSA-N 1 1 324.381 -1.265 20 0 DAADMO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C[C@H](O)CO)C[C@H]2C1 ZINC001252059596 780469519 /nfs/dbraw/zinc/46/95/19/780469519.db2.gz CVWMQEIUQDUREE-WOPDTQHZSA-N 1 1 307.416 -1.600 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001252413700 780470679 /nfs/dbraw/zinc/47/06/79/780470679.db2.gz GSYHHAZWWUGKHL-UTUOFQBUSA-N 1 1 308.338 -1.100 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001252413700 780470682 /nfs/dbraw/zinc/47/06/82/780470682.db2.gz GSYHHAZWWUGKHL-UTUOFQBUSA-N 1 1 308.338 -1.100 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@H](O)C(=O)OC)C[C@H]21 ZINC001252416617 780470711 /nfs/dbraw/zinc/47/07/11/780470711.db2.gz AIVFHWICDPJMJW-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@H](O)C(=O)OC)C[C@H]21 ZINC001252416617 780470713 /nfs/dbraw/zinc/47/07/13/780470713.db2.gz AIVFHWICDPJMJW-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO NS(=O)(=O)CCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001252416933 780470728 /nfs/dbraw/zinc/47/07/28/780470728.db2.gz BJAYAOAIFKHZQX-MNOVXSKESA-N 1 1 320.415 -1.173 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001252820356 780473435 /nfs/dbraw/zinc/47/34/35/780473435.db2.gz NANBTBMNELNWEM-STQMWFEESA-N 1 1 313.398 -1.138 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC001252815232 780473920 /nfs/dbraw/zinc/47/39/20/780473920.db2.gz NKPZIZRBUPEGEO-OIMNJJJWSA-N 1 1 322.365 -1.087 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21 ZINC001252815232 780473922 /nfs/dbraw/zinc/47/39/22/780473922.db2.gz NKPZIZRBUPEGEO-OIMNJJJWSA-N 1 1 322.365 -1.087 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cc[n+]([O-])cc1 ZINC001278718456 780474283 /nfs/dbraw/zinc/47/42/83/780474283.db2.gz FDUAJPCNMVPMES-ZDUSSCGKSA-N 1 1 320.353 -1.329 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CC1(O)CCOCC1)C2 ZINC001252961136 780474377 /nfs/dbraw/zinc/47/43/77/780474377.db2.gz ZKYDJPZVDGTSDC-AWEZNQCLSA-N 1 1 311.382 -1.049 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001253025910 780474656 /nfs/dbraw/zinc/47/46/56/780474656.db2.gz AWQNSPNXNBCNCL-GRYCIOLGSA-N 1 1 314.386 -1.679 20 0 DAADMO NC(=O)C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252943557 780474860 /nfs/dbraw/zinc/47/48/60/780474860.db2.gz IRDIEMCKJQIHOU-OAHLLOKOSA-N 1 1 306.366 -1.448 20 0 DAADMO NC(=O)C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252950029 780474997 /nfs/dbraw/zinc/47/49/97/780474997.db2.gz BJFBXOSRPSLQQB-BBRMVZONSA-N 1 1 320.393 -1.058 20 0 DAADMO OCC(CO)(CO)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944645 780475355 /nfs/dbraw/zinc/47/53/55/780475355.db2.gz SSUKUMZZMHYBET-INIZCTEOSA-N 1 1 310.394 -1.071 20 0 DAADMO OCC(CO)(CO)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944645 780475358 /nfs/dbraw/zinc/47/53/58/780475358.db2.gz SSUKUMZZMHYBET-INIZCTEOSA-N 1 1 310.394 -1.071 20 0 DAADMO O=C(NCC1([NH2+]Cc2cnon2)CCOCC1)[C@@H]1CCNC1=O ZINC001278719015 780476151 /nfs/dbraw/zinc/47/61/51/780476151.db2.gz YEZNGHCKRDVOGT-LLVKDONJSA-N 1 1 323.353 -1.039 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278752855 780479010 /nfs/dbraw/zinc/47/90/10/780479010.db2.gz OUTBZONQOQHWOV-IINYFYTJSA-N 1 1 313.354 -1.619 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752851 780479153 /nfs/dbraw/zinc/47/91/53/780479153.db2.gz OSTWRDUBPHOIEA-OAHLLOKOSA-N 1 1 322.365 -1.425 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278752851 780479157 /nfs/dbraw/zinc/47/91/57/780479157.db2.gz OSTWRDUBPHOIEA-OAHLLOKOSA-N 1 1 322.365 -1.425 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2C(=O)CCC2=O)C1)C(F)F ZINC001278752863 780479293 /nfs/dbraw/zinc/47/92/93/780479293.db2.gz PBOITNABAWOKQE-ZDUSSCGKSA-N 1 1 319.308 -1.047 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001254036627 780480468 /nfs/dbraw/zinc/48/04/68/780480468.db2.gz VKKLMULBQAVUHT-NSHDSACASA-N 1 1 322.431 -1.366 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766328 780483285 /nfs/dbraw/zinc/48/32/85/780483285.db2.gz IVIGRIJZQJOTCY-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766328 780483289 /nfs/dbraw/zinc/48/32/89/780483289.db2.gz IVIGRIJZQJOTCY-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766731 780484102 /nfs/dbraw/zinc/48/41/02/780484102.db2.gz MLLARRQQRQLLNC-HNNXBMFYSA-N 1 1 323.397 -1.072 20 0 DAADMO CCOC(=O)CN1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001254401472 780486136 /nfs/dbraw/zinc/48/61/36/780486136.db2.gz NYDSZRMKIHDNKO-HZSPNIEDSA-N 1 1 312.418 -1.994 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CCNC1=O ZINC001278789833 780488112 /nfs/dbraw/zinc/48/81/12/780488112.db2.gz ASMHHDXHTZXIJD-BDAKNGLRSA-N 1 1 313.383 -1.417 20 0 DAADMO CC[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCNC1=O ZINC001278787956 780488121 /nfs/dbraw/zinc/48/81/21/780488121.db2.gz YGUXMVPPTCTVCH-HUUCEWRRSA-N 1 1 313.398 -1.162 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001254655867 780490332 /nfs/dbraw/zinc/49/03/32/780490332.db2.gz VMNZJJZGTZMDRP-SECBINFHSA-N 1 1 304.372 -1.319 20 0 DAADMO NC(=O)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001278799522 780490752 /nfs/dbraw/zinc/49/07/52/780490752.db2.gz CUFRFSAIAUVVOJ-CYBMUJFWSA-N 1 1 322.369 -1.903 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800803 780490914 /nfs/dbraw/zinc/49/09/14/780490914.db2.gz QDDJOVCRNKNIIK-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278800803 780490915 /nfs/dbraw/zinc/49/09/15/780490915.db2.gz QDDJOVCRNKNIIK-IINYFYTJSA-N 1 1 314.386 -1.671 20 0 DAADMO CCOCCC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278800264 780491022 /nfs/dbraw/zinc/49/10/22/780491022.db2.gz LSXNIPPQPISCQW-CYBMUJFWSA-N 1 1 312.374 -1.197 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800805 780491210 /nfs/dbraw/zinc/49/12/10/780491210.db2.gz QDDJOVCRNKNIIK-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278800805 780491211 /nfs/dbraw/zinc/49/12/11/780491211.db2.gz QDDJOVCRNKNIIK-YGRLFVJLSA-N 1 1 314.386 -1.671 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278815492 780491966 /nfs/dbraw/zinc/49/19/66/780491966.db2.gz FIEZIJVLHQECTQ-ZDUSSCGKSA-N 1 1 313.358 -2.091 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278815492 780491968 /nfs/dbraw/zinc/49/19/68/780491968.db2.gz FIEZIJVLHQECTQ-ZDUSSCGKSA-N 1 1 313.358 -2.091 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278815492 780491971 /nfs/dbraw/zinc/49/19/71/780491971.db2.gz FIEZIJVLHQECTQ-ZDUSSCGKSA-N 1 1 313.358 -2.091 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821581 780492248 /nfs/dbraw/zinc/49/22/48/780492248.db2.gz LMAWNHGGAKAXCK-IINYFYTJSA-N 1 1 313.354 -1.931 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)CCOC1 ZINC001278816614 780492259 /nfs/dbraw/zinc/49/22/59/780492259.db2.gz UMOWVJUCLGPJKW-GJZGRUSLSA-N 1 1 316.398 -1.025 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821582 780492829 /nfs/dbraw/zinc/49/28/29/780492829.db2.gz LMAWNHGGAKAXCK-QMTHXVAHSA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278823053 780494198 /nfs/dbraw/zinc/49/41/98/780494198.db2.gz WQPLJEBXOAGQKL-ZDUSSCGKSA-N 1 1 313.358 -2.160 20 0 DAADMO COCCCC[NH+]1CC(O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001278838095 780495336 /nfs/dbraw/zinc/49/53/36/780495336.db2.gz QHPOJWOGYWXVHJ-GFCCVEGCSA-N 1 1 302.371 -1.009 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)CC(N)=O ZINC001278849698 780496179 /nfs/dbraw/zinc/49/61/79/780496179.db2.gz INPMYCDFSXKOJG-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)CC(N)=O ZINC001278849698 780496186 /nfs/dbraw/zinc/49/61/86/780496186.db2.gz INPMYCDFSXKOJG-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278844370 780496403 /nfs/dbraw/zinc/49/64/03/780496403.db2.gz FVBWXKDHUBZXAN-ONGXEEELSA-N 1 1 324.337 -1.364 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001278844928 780497048 /nfs/dbraw/zinc/49/70/48/780497048.db2.gz PEYSERQHMQRUPY-OLZOCXBDSA-N 1 1 324.381 -1.051 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278851584 780498164 /nfs/dbraw/zinc/49/81/64/780498164.db2.gz VAGIGLBVVKJJOL-MWLCHTKSSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001278851584 780498168 /nfs/dbraw/zinc/49/81/68/780498168.db2.gz VAGIGLBVVKJJOL-MWLCHTKSSA-N 1 1 314.386 -1.720 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)C(N)=O ZINC001278868654 780498783 /nfs/dbraw/zinc/49/87/83/780498783.db2.gz GJSIXYYCBGUWIQ-SECBINFHSA-N 1 1 301.347 -2.752 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO[C@H]1CC1(F)F)C(=O)C(N)=O ZINC001278868414 780498969 /nfs/dbraw/zinc/49/89/69/780498969.db2.gz BFOZEFZAAVULJQ-IUCAKERBSA-N 1 1 309.313 -1.353 20 0 DAADMO CCOCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001278869762 780499012 /nfs/dbraw/zinc/49/90/12/780499012.db2.gz XBZMWSMBMRVHEB-JTQLQIEISA-N 1 1 300.363 -1.389 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)C(N)=O ZINC001278868894 780499320 /nfs/dbraw/zinc/49/93/20/780499320.db2.gz KCJLCQYCEXXOHT-JTQLQIEISA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)C(N)=O ZINC001278868655 780499459 /nfs/dbraw/zinc/49/94/59/780499459.db2.gz GJSIXYYCBGUWIQ-VIFPVBQESA-N 1 1 301.347 -2.752 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)C1(C(N)=O)CC1 ZINC001278873267 780501003 /nfs/dbraw/zinc/50/10/03/780501003.db2.gz DZLAKXGGWLRKQJ-NSHDSACASA-N 1 1 324.385 -1.705 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CN1C(=O)CCC1=O ZINC001278882177 780502264 /nfs/dbraw/zinc/50/22/64/780502264.db2.gz BCZANILBGGWWMC-NSHDSACASA-N 1 1 315.370 -1.731 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001278889352 780503380 /nfs/dbraw/zinc/50/33/80/780503380.db2.gz SISYXGJGAIKHOE-GHMZBOCLSA-N 1 1 315.370 -1.563 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001278889353 780503877 /nfs/dbraw/zinc/50/38/77/780503877.db2.gz SISYXGJGAIKHOE-MNOVXSKESA-N 1 1 315.370 -1.563 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cnn(C)c2)C1 ZINC001256757780 780510350 /nfs/dbraw/zinc/51/03/50/780510350.db2.gz NUNIZMCJOJVUAZ-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1cccnn1 ZINC001256815148 780510657 /nfs/dbraw/zinc/51/06/57/780510657.db2.gz XENGZIDXGZTKIU-UHFFFAOYSA-N 1 1 307.354 -1.069 20 0 DAADMO CS(=O)(=O)N1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001257230863 780512927 /nfs/dbraw/zinc/51/29/27/780512927.db2.gz JVTCIPXAYJFGSH-OUAUKWLOSA-N 1 1 304.420 -2.597 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1C[N@H+](C)CCO1 ZINC001257292858 780513331 /nfs/dbraw/zinc/51/33/31/780513331.db2.gz WTMMSVHJRYUTLU-TUAOUCFPSA-N 1 1 315.370 -1.647 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC001257292858 780513341 /nfs/dbraw/zinc/51/33/41/780513341.db2.gz WTMMSVHJRYUTLU-TUAOUCFPSA-N 1 1 315.370 -1.647 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNC(=O)CC1 ZINC001257596125 780515387 /nfs/dbraw/zinc/51/53/87/780515387.db2.gz PLSDMTCUMSANHW-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C1=O)C[C@H](C)O ZINC001279050739 780516179 /nfs/dbraw/zinc/51/61/79/780516179.db2.gz XLYQUZGEIQAAEA-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC001258384859 780520952 /nfs/dbraw/zinc/52/09/52/780520952.db2.gz ZCOMGQZCYOHAOX-RWMBFGLXSA-N 1 1 312.414 -1.110 20 0 DAADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258413004 780521586 /nfs/dbraw/zinc/52/15/86/780521586.db2.gz CZDCVNMMTUPWLO-ZDUSSCGKSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(CO)C3)C2)CC1 ZINC001258413004 780521592 /nfs/dbraw/zinc/52/15/92/780521592.db2.gz CZDCVNMMTUPWLO-ZDUSSCGKSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC(C(C)(C)O)C1 ZINC001258382367 780521764 /nfs/dbraw/zinc/52/17/64/780521764.db2.gz HRJCBZYTRZKMQA-GFCCVEGCSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C[N@H+]1C1CC1 ZINC001261157097 780537233 /nfs/dbraw/zinc/53/72/33/780537233.db2.gz FWMKYXYQPWQVKP-GMTAPVOTSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001261203431 780538964 /nfs/dbraw/zinc/53/89/64/780538964.db2.gz ZTRNRCPVYPJTTP-MNOVXSKESA-N 1 1 322.369 -1.189 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001261186083 780538991 /nfs/dbraw/zinc/53/89/91/780538991.db2.gz YQLAVMCTJPEUED-VWYCJHECSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001261186083 780538999 /nfs/dbraw/zinc/53/89/99/780538999.db2.gz YQLAVMCTJPEUED-VWYCJHECSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ncn(C)n1 ZINC001261186080 780539234 /nfs/dbraw/zinc/53/92/34/780539234.db2.gz YQLAVMCTJPEUED-DCAQKATOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ncn(C)n1 ZINC001261186080 780539242 /nfs/dbraw/zinc/53/92/42/780539242.db2.gz YQLAVMCTJPEUED-DCAQKATOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC001261186082 780539294 /nfs/dbraw/zinc/53/92/94/780539294.db2.gz YQLAVMCTJPEUED-OUAUKWLOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC001261186082 780539300 /nfs/dbraw/zinc/53/93/00/780539300.db2.gz YQLAVMCTJPEUED-OUAUKWLOSA-N 1 1 324.385 -1.172 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCN2CCCOCC2)CC1 ZINC001261436416 780541334 /nfs/dbraw/zinc/54/13/34/780541334.db2.gz AVPQBTIOZVFDLN-HNNXBMFYSA-N 1 1 300.447 -1.093 20 0 DAADMO CS(=O)(=O)CCCCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC001261435563 780541533 /nfs/dbraw/zinc/54/15/33/780541533.db2.gz YPRJAAQEQSEJHB-UHFFFAOYSA-N 1 1 315.342 -1.362 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001281069195 780546178 /nfs/dbraw/zinc/54/61/78/780546178.db2.gz OITFRUOYTTWNQY-MNOVXSKESA-N 1 1 314.386 -1.672 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC[C@@H]1CCO ZINC001261557816 780548324 /nfs/dbraw/zinc/54/83/24/780548324.db2.gz PIJSOTDMSWMEMB-FRRDWIJNSA-N 1 1 311.382 -1.363 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@](F)(CO)C1 ZINC001261556252 780548626 /nfs/dbraw/zinc/54/86/26/780548626.db2.gz BHNAZPDPFQRHJA-MISXGVKJSA-N 1 1 315.345 -1.803 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001261622343 780551270 /nfs/dbraw/zinc/55/12/70/780551270.db2.gz VXKCDUFOXDUIGI-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCOCCF)[C@H]1C[N@H+](C)CCO1 ZINC001261734128 780555839 /nfs/dbraw/zinc/55/58/39/780555839.db2.gz PZHNCRSUOXILOH-WDEREUQCSA-N 1 1 305.350 -1.076 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCOCCF)[C@H]1C[N@@H+](C)CCO1 ZINC001261734128 780555848 /nfs/dbraw/zinc/55/58/48/780555848.db2.gz PZHNCRSUOXILOH-WDEREUQCSA-N 1 1 305.350 -1.076 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC001261766498 780556781 /nfs/dbraw/zinc/55/67/81/780556781.db2.gz IZHXRZYBXDIVBR-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2COCCN2)cn1 ZINC001261817719 780559115 /nfs/dbraw/zinc/55/91/15/780559115.db2.gz ZPIHBHZDHDZFGW-GFCCVEGCSA-N 1 1 324.385 -1.512 20 0 DAADMO COc1cnc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC001261827855 780560910 /nfs/dbraw/zinc/56/09/10/780560910.db2.gz PYOUKCMZYSHRMB-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO CN(C)c1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)ncn1 ZINC001261828185 780561051 /nfs/dbraw/zinc/56/10/51/780561051.db2.gz BIIALDFHSPDMBW-JTQLQIEISA-N 1 1 322.369 -1.336 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC001261873289 780562014 /nfs/dbraw/zinc/56/20/14/780562014.db2.gz SRGXRNRJMJOMAH-UHFFFAOYSA-N 1 1 313.354 -1.715 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1C[N@H+](C)CCO1 ZINC001261922419 780563516 /nfs/dbraw/zinc/56/35/16/780563516.db2.gz WXRICTYZAQQWMV-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1cncn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001261922419 780563521 /nfs/dbraw/zinc/56/35/21/780563521.db2.gz WXRICTYZAQQWMV-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001262008700 780565652 /nfs/dbraw/zinc/56/56/52/780565652.db2.gz VRSVSCVFCYBPPH-SNVBAGLBSA-N 1 1 320.353 -1.213 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001262123793 780567764 /nfs/dbraw/zinc/56/77/64/780567764.db2.gz QWRXREGIONGXEF-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001262123793 780567769 /nfs/dbraw/zinc/56/77/69/780567769.db2.gz QWRXREGIONGXEF-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001262151460 780568261 /nfs/dbraw/zinc/56/82/61/780568261.db2.gz KPKCZBBQGVWCMS-UWVGGRQHSA-N 1 1 318.349 -2.024 20 0 DAADMO CCCCNC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001262195030 780568359 /nfs/dbraw/zinc/56/83/59/780568359.db2.gz MCQIYZIUWFPARP-UHFFFAOYSA-N 1 1 318.443 -1.178 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001262123792 780568458 /nfs/dbraw/zinc/56/84/58/780568458.db2.gz QWRXREGIONGXEF-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001262123792 780568463 /nfs/dbraw/zinc/56/84/63/780568463.db2.gz QWRXREGIONGXEF-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001262293296 780570274 /nfs/dbraw/zinc/57/02/74/780570274.db2.gz UGBUFFZWBNCPHL-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001262293296 780570281 /nfs/dbraw/zinc/57/02/81/780570281.db2.gz UGBUFFZWBNCPHL-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001262300047 780570468 /nfs/dbraw/zinc/57/04/68/780570468.db2.gz BSHRBUZKQXJUHE-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC001262300047 780570476 /nfs/dbraw/zinc/57/04/76/780570476.db2.gz BSHRBUZKQXJUHE-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001262492131 780572331 /nfs/dbraw/zinc/57/23/31/780572331.db2.gz ADYHWQVXVLAJJE-QWRGUYRKSA-N 1 1 317.411 -1.158 20 0 DAADMO CCON(CC)C(=O)C[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001262577640 780575598 /nfs/dbraw/zinc/57/55/98/780575598.db2.gz VAUBKEMUNIEQIK-ZDUSSCGKSA-N 1 1 302.419 -1.016 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263855048 780579089 /nfs/dbraw/zinc/57/90/89/780579089.db2.gz XLEWZSKJARMBMO-UHFFFAOYSA-N 1 1 311.338 -1.300 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001263855048 780579096 /nfs/dbraw/zinc/57/90/96/780579096.db2.gz XLEWZSKJARMBMO-UHFFFAOYSA-N 1 1 311.338 -1.300 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001263827921 780579593 /nfs/dbraw/zinc/57/95/93/780579593.db2.gz TZCVGYDYODANBE-DTORHVGOSA-N 1 1 307.358 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCOCCN(C)C(=O)C(N)=O ZINC001264108833 780581642 /nfs/dbraw/zinc/58/16/42/780581642.db2.gz WJIOFBZZZVBBSO-UHFFFAOYSA-N 1 1 302.375 -1.643 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCOCCN(C)C(=O)C(N)=O ZINC001264108833 780581647 /nfs/dbraw/zinc/58/16/47/780581647.db2.gz WJIOFBZZZVBBSO-UHFFFAOYSA-N 1 1 302.375 -1.643 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001264105883 780581769 /nfs/dbraw/zinc/58/17/69/780581769.db2.gz DWDDTWWXJKTISW-LLVKDONJSA-N 1 1 314.386 -1.643 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001264105883 780581771 /nfs/dbraw/zinc/58/17/71/780581771.db2.gz DWDDTWWXJKTISW-LLVKDONJSA-N 1 1 314.386 -1.643 20 0 DAADMO CN(CCOCC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)C(N)=O ZINC001264108573 780581980 /nfs/dbraw/zinc/58/19/80/780581980.db2.gz MQNMWJUEGNSXTL-LLVKDONJSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CC1 ZINC001264098339 780582017 /nfs/dbraw/zinc/58/20/17/780582017.db2.gz GMUQRECUSPNFPJ-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001264104738 780582034 /nfs/dbraw/zinc/58/20/34/780582034.db2.gz KZKZDECTKXPJBR-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001264104739 780582218 /nfs/dbraw/zinc/58/22/18/780582218.db2.gz KZKZDECTKXPJBR-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000386956895 780583652 /nfs/dbraw/zinc/58/36/52/780583652.db2.gz TZFDYKIEXWBOJO-UHFFFAOYSA-N 1 1 312.370 -1.203 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001264375156 780584544 /nfs/dbraw/zinc/58/45/44/780584544.db2.gz VQDKYSDHSSUVCY-LLVKDONJSA-N 1 1 310.354 -1.548 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001299742668 780585848 /nfs/dbraw/zinc/58/58/48/780585848.db2.gz SLCPBTMYCAATEE-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1CCN1CCNC1=O ZINC001264603517 780586778 /nfs/dbraw/zinc/58/67/78/780586778.db2.gz GYUKRZBPEZOIKP-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)NCCCOC ZINC001264617362 780586881 /nfs/dbraw/zinc/58/68/81/780586881.db2.gz KXOSKNCAHIRHHX-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)NCCCOC ZINC001264617362 780586884 /nfs/dbraw/zinc/58/68/84/780586884.db2.gz KXOSKNCAHIRHHX-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[N@H+](CCCNC(=O)[C@H]1COC(=O)N1)CCCS(C)(=O)=O ZINC001264981963 780587578 /nfs/dbraw/zinc/58/75/78/780587578.db2.gz XMMFXCMUBXFXLE-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1COC(=O)N1)CCCS(C)(=O)=O ZINC001264981963 780587583 /nfs/dbraw/zinc/58/75/83/780587583.db2.gz XMMFXCMUBXFXLE-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001264666346 780587682 /nfs/dbraw/zinc/58/76/82/780587682.db2.gz NCWRQZXNABSTPY-JTQLQIEISA-N 1 1 315.374 -2.098 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001264666346 780587686 /nfs/dbraw/zinc/58/76/86/780587686.db2.gz NCWRQZXNABSTPY-JTQLQIEISA-N 1 1 315.374 -2.098 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001264973592 780588399 /nfs/dbraw/zinc/58/83/99/780588399.db2.gz CPOGXEVMFSOHGX-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001264975958 780588593 /nfs/dbraw/zinc/58/85/93/780588593.db2.gz LVRGOLZLTCMMED-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CCOCCO ZINC001264694642 780588804 /nfs/dbraw/zinc/58/88/04/780588804.db2.gz IHFPLRHRAPXEKS-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](NC(=O)C[N@H+](C)CCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001265030577 780589339 /nfs/dbraw/zinc/58/93/39/780589339.db2.gz ASGWOZSOZALYSP-SECBINFHSA-N 1 1 315.374 -2.497 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+](C)CCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001265030577 780589341 /nfs/dbraw/zinc/58/93/41/780589341.db2.gz ASGWOZSOZALYSP-SECBINFHSA-N 1 1 315.374 -2.497 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@@H+](C)[C@H]2CCNC2=O)c1=O ZINC001265004262 780589666 /nfs/dbraw/zinc/58/96/66/780589666.db2.gz MFWWNMNVADPWIF-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265031042 780589990 /nfs/dbraw/zinc/58/99/90/780589990.db2.gz VBZRYZYMEBRCFV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCCC[N@@H+](C)CCCO)c1=O ZINC001264993344 780589877 /nfs/dbraw/zinc/58/98/77/780589877.db2.gz JMGLKPSHMYUFMQ-UHFFFAOYSA-N 1 1 312.370 -1.633 20 0 DAADMO Cn1cncc1C[N@@H+](C)CCCNC(=O)Cn1ncn(C)c1=O ZINC001265003771 780590031 /nfs/dbraw/zinc/59/00/31/780590031.db2.gz AIPCDCILOUUYAH-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC001264982055 780590172 /nfs/dbraw/zinc/59/01/72/780590172.db2.gz AVZPNSRQAIAAFJ-MRVPVSSYSA-N 1 1 315.330 -2.012 20 0 DAADMO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)CC(=O)NC(N)=O ZINC001265027214 780590316 /nfs/dbraw/zinc/59/03/16/780590316.db2.gz JIMFNAXQUMYHTI-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001265008434 780590376 /nfs/dbraw/zinc/59/03/76/780590376.db2.gz FRDOFPNHBQMZNR-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@]1(C)CCNC1=O ZINC001265035794 780590463 /nfs/dbraw/zinc/59/04/63/780590463.db2.gz RLUXXHOTSHVXGE-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+](CCCNC(=O)[C@H]1CNC(=O)N1)CCCS(C)(=O)=O ZINC001265028925 780590659 /nfs/dbraw/zinc/59/06/59/780590659.db2.gz NWFZOYBXWYAEFP-SNVBAGLBSA-N 1 1 320.415 -1.459 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)CCCS(C)(=O)=O ZINC001265028925 780590664 /nfs/dbraw/zinc/59/06/64/780590664.db2.gz NWFZOYBXWYAEFP-SNVBAGLBSA-N 1 1 320.415 -1.459 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCCNC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001265182744 780593961 /nfs/dbraw/zinc/59/39/61/780593961.db2.gz OBVTWBAOHAZARE-SNVBAGLBSA-N 1 1 324.381 -1.020 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCCNC(=O)CC(N)=O)C1CC1 ZINC001265156333 780593977 /nfs/dbraw/zinc/59/39/77/780593977.db2.gz WBNLRYXIWFEPMS-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO CN1C[C@@H](C(=O)NCCC[N@@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001265170779 780594098 /nfs/dbraw/zinc/59/40/98/780594098.db2.gz ACSKOMPAONWTDQ-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)CN1C(=O)CCC1=O)C1CC1 ZINC001265182743 780594253 /nfs/dbraw/zinc/59/42/53/780594253.db2.gz OBVTWBAOHAZARE-JTQLQIEISA-N 1 1 324.381 -1.020 20 0 DAADMO COC[C@@H](O)CN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001265249404 780595111 /nfs/dbraw/zinc/59/51/11/780595111.db2.gz LYYHVCAWYDZDAZ-NSHDSACASA-N 1 1 302.375 -2.397 20 0 DAADMO Cn1nnc(C(=O)NCCC[NH+]2CCN(CCCO)CC2)n1 ZINC001265247098 780595188 /nfs/dbraw/zinc/59/51/88/780595188.db2.gz BYCXZOPYBNGYCU-UHFFFAOYSA-N 1 1 311.390 -1.670 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2cnn(C)n2)CC1 ZINC001265251917 780595426 /nfs/dbraw/zinc/59/54/26/780595426.db2.gz ZANKXZKIWSJDOI-UHFFFAOYSA-N 1 1 323.401 -1.701 20 0 DAADMO Cn1c(C(=O)NCCC[NH+]2CCN(CCO)CC2)c[nH]c1=O ZINC001265248094 780595510 /nfs/dbraw/zinc/59/55/10/780595510.db2.gz XUHMSLZSVODPMT-UHFFFAOYSA-N 1 1 311.386 -1.145 20 0 DAADMO Cn1cc(CCC(=O)NCCC[NH+]2CCN(CCO)CC2)nn1 ZINC001265254467 780595972 /nfs/dbraw/zinc/59/59/72/780595972.db2.gz NMLXLKWHIZPPTA-UHFFFAOYSA-N 1 1 324.429 -1.136 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(Cc2cnsn2)CC1 ZINC001265249289 780596145 /nfs/dbraw/zinc/59/61/45/780596145.db2.gz JQKDKAUTHMTYLV-UHFFFAOYSA-N 1 1 312.399 -1.353 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001265289886 780596969 /nfs/dbraw/zinc/59/69/69/780596969.db2.gz FANIKGUSAWMNRL-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265270195 780597128 /nfs/dbraw/zinc/59/71/28/780597128.db2.gz AYSCPQNUJBSHQI-MNOVXSKESA-N 1 1 310.354 -1.540 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001265270195 780597132 /nfs/dbraw/zinc/59/71/32/780597132.db2.gz AYSCPQNUJBSHQI-MNOVXSKESA-N 1 1 310.354 -1.540 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265270194 780597608 /nfs/dbraw/zinc/59/76/08/780597608.db2.gz AYSCPQNUJBSHQI-GHMZBOCLSA-N 1 1 310.354 -1.540 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265270194 780597616 /nfs/dbraw/zinc/59/76/16/780597616.db2.gz AYSCPQNUJBSHQI-GHMZBOCLSA-N 1 1 310.354 -1.540 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001265277677 780597938 /nfs/dbraw/zinc/59/79/38/780597938.db2.gz UBENYWWXGOSEQP-SNVBAGLBSA-N 1 1 318.399 -1.912 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001265277677 780597945 /nfs/dbraw/zinc/59/79/45/780597945.db2.gz UBENYWWXGOSEQP-SNVBAGLBSA-N 1 1 318.399 -1.912 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001265277676 780598291 /nfs/dbraw/zinc/59/82/91/780598291.db2.gz UBENYWWXGOSEQP-JTQLQIEISA-N 1 1 318.399 -1.912 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001265277676 780598296 /nfs/dbraw/zinc/59/82/96/780598296.db2.gz UBENYWWXGOSEQP-JTQLQIEISA-N 1 1 318.399 -1.912 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001265308371 780598921 /nfs/dbraw/zinc/59/89/21/780598921.db2.gz RGSOBJPBSFUIAS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308371 780598932 /nfs/dbraw/zinc/59/89/32/780598932.db2.gz RGSOBJPBSFUIAS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308371 780598935 /nfs/dbraw/zinc/59/89/35/780598935.db2.gz RGSOBJPBSFUIAS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001265301559 780599022 /nfs/dbraw/zinc/59/90/22/780599022.db2.gz NFWWBIGILPDHEI-GHMZBOCLSA-N 1 1 300.359 -1.479 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317028 780599042 /nfs/dbraw/zinc/59/90/42/780599042.db2.gz IFMHNIGVYNRVEW-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001265309770 780600025 /nfs/dbraw/zinc/60/00/25/780600025.db2.gz AIWMEYIJJAHENJ-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001265309770 780600027 /nfs/dbraw/zinc/60/00/27/780600027.db2.gz AIWMEYIJJAHENJ-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001265308369 780600072 /nfs/dbraw/zinc/60/00/72/780600072.db2.gz RGSOBJPBSFUIAS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308369 780600078 /nfs/dbraw/zinc/60/00/78/780600078.db2.gz RGSOBJPBSFUIAS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265308369 780600081 /nfs/dbraw/zinc/60/00/81/780600081.db2.gz RGSOBJPBSFUIAS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001265367849 780600689 /nfs/dbraw/zinc/60/06/89/780600689.db2.gz FYSKGIXNGJLSJM-SECBINFHSA-N 1 1 307.358 -1.540 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001265367850 780601322 /nfs/dbraw/zinc/60/13/22/780601322.db2.gz FYSKGIXNGJLSJM-VIFPVBQESA-N 1 1 307.358 -1.540 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001265561960 780604799 /nfs/dbraw/zinc/60/47/99/780604799.db2.gz QATDGXHFOLJTOY-DTORHVGOSA-N 1 1 316.387 -1.406 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001265561960 780604804 /nfs/dbraw/zinc/60/48/04/780604804.db2.gz QATDGXHFOLJTOY-DTORHVGOSA-N 1 1 316.387 -1.406 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001265594906 780605475 /nfs/dbraw/zinc/60/54/75/780605475.db2.gz NOCLBHBOMGUASR-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCOCCO)C1)[C@@H]1CNC(=O)N1 ZINC001265591433 780605659 /nfs/dbraw/zinc/60/56/59/780605659.db2.gz UUPMGLDCEZNWMN-RYUDHWBXSA-N 1 1 314.386 -1.495 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001265722742 780607409 /nfs/dbraw/zinc/60/74/09/780607409.db2.gz VITUJSRQIFUYOB-HHHUMZEGSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H](CNC(=O)CCc1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001265763090 780607506 /nfs/dbraw/zinc/60/75/06/780607506.db2.gz HQDCNFZNSQWXFU-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785795 780608677 /nfs/dbraw/zinc/60/86/77/780608677.db2.gz HNOMRGZDOGMYHH-BDAKNGLRSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001265794711 780608913 /nfs/dbraw/zinc/60/89/13/780608913.db2.gz VPIIQJPLOQCLIR-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nccnc1N)[C@@H]1CCC(=O)NC1=O ZINC001265817601 780608955 /nfs/dbraw/zinc/60/89/55/780608955.db2.gz UUVHKYFYXQPMGL-SECBINFHSA-N 1 1 320.353 -1.084 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnc(C(N)=O)n1)C[C@@H]1CCOC1 ZINC001265851474 780610049 /nfs/dbraw/zinc/61/00/49/780610049.db2.gz OJJNXUDQHXGNFV-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cn(C)nn1 ZINC001265862021 780611256 /nfs/dbraw/zinc/61/12/56/780611256.db2.gz YPQOQNRGMOHBHI-QMMMGPOBSA-N 1 1 309.330 -2.039 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001265878102 780612238 /nfs/dbraw/zinc/61/22/38/780612238.db2.gz VLDLRBLLZGTBRD-VHSXEESVSA-N 1 1 324.385 -1.142 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001265882228 780612817 /nfs/dbraw/zinc/61/28/17/780612817.db2.gz UGXUODYMMBURFS-JTQLQIEISA-N 1 1 323.353 -1.396 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCCNC(=O)CN1CCNC(=O)C1 ZINC001265902580 780613428 /nfs/dbraw/zinc/61/34/28/780613428.db2.gz RTYBMSZPQJNVPV-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1COCCN1CC(F)F)CC(N)=O ZINC001265896181 780613458 /nfs/dbraw/zinc/61/34/58/780613458.db2.gz RWPSUOGODINIJX-JTQLQIEISA-N 1 1 322.356 -1.124 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CCNC1=O)C[C@@H](O)Cn1cccn1 ZINC001265902132 780613545 /nfs/dbraw/zinc/61/35/45/780613545.db2.gz JIMHQFRKPQGVGI-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCCNC(=O)c2nnn(C)n2)C1=O ZINC001265906560 780613620 /nfs/dbraw/zinc/61/36/20/780613620.db2.gz IMBUIZINDIGWIH-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CN1CC[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)C1=O ZINC001265906810 780614395 /nfs/dbraw/zinc/61/43/95/780614395.db2.gz RINIVKSJNXYPEP-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)CC(=O)NC(=O)NC1CC1 ZINC001265941045 780614770 /nfs/dbraw/zinc/61/47/70/780614770.db2.gz UNFPIRWQGVONPM-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1cn[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC001265924788 780614815 /nfs/dbraw/zinc/61/48/15/780614815.db2.gz GHZBEJWWPCOGLK-LLVKDONJSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1c[nH]nn1)[C@@H]1CCC(=O)NC1=O ZINC001265924788 780614819 /nfs/dbraw/zinc/61/48/19/780614819.db2.gz GHZBEJWWPCOGLK-LLVKDONJSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1c[nH]nn1)[C@@H]1CCC(=O)NC1=O ZINC001265924788 780614822 /nfs/dbraw/zinc/61/48/22/780614822.db2.gz GHZBEJWWPCOGLK-LLVKDONJSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@H+](CCCNC(=O)CCc1cnn[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001265924788 780614824 /nfs/dbraw/zinc/61/48/24/780614824.db2.gz GHZBEJWWPCOGLK-LLVKDONJSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCc1cnn[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001265924788 780614827 /nfs/dbraw/zinc/61/48/27/780614827.db2.gz GHZBEJWWPCOGLK-LLVKDONJSA-N 1 1 322.369 -1.019 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cnnn1)[C@H]1CCCNC1=O ZINC001265944259 780614977 /nfs/dbraw/zinc/61/49/77/780614977.db2.gz BRAQHYDOPISWQH-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001265934023 780614985 /nfs/dbraw/zinc/61/49/85/780614985.db2.gz AQWZTMRRIIFKRK-ZJUUUORDSA-N 1 1 321.385 -1.012 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCNC(=O)CN1CCC(=O)NC1=O ZINC001265950242 780615940 /nfs/dbraw/zinc/61/59/40/780615940.db2.gz RBXULTDNEKEKLY-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001265973864 780616348 /nfs/dbraw/zinc/61/63/48/780616348.db2.gz CAVANTJPYDDYDI-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281090893 780617316 /nfs/dbraw/zinc/61/73/16/780617316.db2.gz NSRZIQCBXSUQLN-SNVBAGLBSA-N 1 1 314.386 -1.815 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(C)C1=O ZINC001266077188 780618138 /nfs/dbraw/zinc/61/81/38/780618138.db2.gz BWVICYNSKIOMRP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001266082436 780618348 /nfs/dbraw/zinc/61/83/48/780618348.db2.gz HTFTYPWRLPEIKB-OUAUKWLOSA-N 1 1 324.381 -1.259 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(N)=O ZINC001266082432 780618386 /nfs/dbraw/zinc/61/83/86/780618386.db2.gz HOACAPHMACBWFX-VHSXEESVSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001266082437 780619038 /nfs/dbraw/zinc/61/90/38/780619038.db2.gz HTFTYPWRLPEIKB-VWYCJHECSA-N 1 1 324.381 -1.259 20 0 DAADMO NC(=O)C[N@@H+](CCCNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001266176173 780620353 /nfs/dbraw/zinc/62/03/53/780620353.db2.gz CVPIJQLCPAUXBJ-SECBINFHSA-N 1 1 310.354 -1.505 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001279388679 780621316 /nfs/dbraw/zinc/62/13/16/780621316.db2.gz PUXBTWNZNQCHGW-FRRDWIJNSA-N 1 1 322.409 -1.009 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001279371591 780621541 /nfs/dbraw/zinc/62/15/41/780621541.db2.gz RUYORRVVHJHDMP-TXEJJXNPSA-N 1 1 313.398 -1.103 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001279484122 780623061 /nfs/dbraw/zinc/62/30/61/780623061.db2.gz MZBOTDJERFPJIP-LBPRGKRZSA-N 1 1 310.358 -1.571 20 0 DAADMO Cn1ccc(C[N@H+]2CCC[C@@](CO)(NC(=O)C(N)=O)C2)cc1=O ZINC001279510209 780623201 /nfs/dbraw/zinc/62/32/01/780623201.db2.gz WYUPYWXLFGSPEJ-OAHLLOKOSA-N 1 1 322.365 -1.686 20 0 DAADMO COC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1nccn1C ZINC001279665992 780624797 /nfs/dbraw/zinc/62/47/97/780624797.db2.gz BHGKRZQFOBTSCX-UHFFFAOYSA-N 1 1 313.358 -1.313 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001279520094 780624810 /nfs/dbraw/zinc/62/48/10/780624810.db2.gz WPYKKUWSJVYFOA-AWEZNQCLSA-N 1 1 313.354 -2.025 20 0 DAADMO C[C@H](C(=O)NCC1=CC[N@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001279574017 780624884 /nfs/dbraw/zinc/62/48/84/780624884.db2.gz LMXRKBNQXVQFFY-SNVBAGLBSA-N 1 1 322.365 -1.243 20 0 DAADMO C[C@H](C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001279574017 780624887 /nfs/dbraw/zinc/62/48/87/780624887.db2.gz LMXRKBNQXVQFFY-SNVBAGLBSA-N 1 1 322.365 -1.243 20 0 DAADMO CNC(=O)NCCC(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001279544157 780625160 /nfs/dbraw/zinc/62/51/60/780625160.db2.gz FKMGIJNUWCVSRL-GFCCVEGCSA-N 1 1 323.397 -1.058 20 0 DAADMO CNC(=O)NCCC(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001279544157 780625165 /nfs/dbraw/zinc/62/51/65/780625165.db2.gz FKMGIJNUWCVSRL-GFCCVEGCSA-N 1 1 323.397 -1.058 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N(CCO)CC[NH2+]Cc1cnns1 ZINC001279705196 780625556 /nfs/dbraw/zinc/62/55/56/780625556.db2.gz MSWQUEQXQSYMTM-VIFPVBQESA-N 1 1 315.355 -1.443 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCCC(=O)N2)n1 ZINC001279736366 780625606 /nfs/dbraw/zinc/62/56/06/780625606.db2.gz CSUQSUYUHBQOGG-CYBMUJFWSA-N 1 1 323.397 -1.001 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1cnn(C)n1 ZINC001279724272 780625849 /nfs/dbraw/zinc/62/58/49/780625849.db2.gz GHNAOXZDSDJIEW-UHFFFAOYSA-N 1 1 313.362 -2.345 20 0 DAADMO Cc1nc(C[NH2+]CCN(CCO)C(=O)[C@H](C)NC(N)=O)co1 ZINC001279695598 780626031 /nfs/dbraw/zinc/62/60/31/780626031.db2.gz RDNXOEZTLDOLFH-VIFPVBQESA-N 1 1 313.358 -1.050 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001279724508 780626042 /nfs/dbraw/zinc/62/60/42/780626042.db2.gz KFNCFNZZOPYTOB-LLVKDONJSA-N 1 1 324.385 -1.796 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1cnns1 ZINC001279724700 780626424 /nfs/dbraw/zinc/62/64/24/780626424.db2.gz NDUBHTXKPKUBBU-UHFFFAOYSA-N 1 1 316.387 -1.622 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)c1cncnc1 ZINC001279694765 780626431 /nfs/dbraw/zinc/62/64/31/780626431.db2.gz CMRXHYRQWNTHQD-UHFFFAOYSA-N 1 1 306.330 -1.776 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N(CCO)CC[NH2+]Cc1nccs1 ZINC001279810332 780626892 /nfs/dbraw/zinc/62/68/92/780626892.db2.gz PFLKNHAYWZOIMZ-VIFPVBQESA-N 1 1 313.383 -1.265 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001279800896 780627044 /nfs/dbraw/zinc/62/70/44/780627044.db2.gz PHNHXAHTYAQGCW-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)Cc2cnc[nH]2)nn1 ZINC001279839185 780628187 /nfs/dbraw/zinc/62/81/87/780628187.db2.gz WBSKOECNBPSTIE-UHFFFAOYSA-N 1 1 307.358 -1.309 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2cccnn2)nn1 ZINC001279870031 780628229 /nfs/dbraw/zinc/62/82/29/780628229.db2.gz XHMFBLJBOWNHHB-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CNC(=O)N2)no1 ZINC001279811114 780628365 /nfs/dbraw/zinc/62/83/65/780628365.db2.gz VURXDEYNKJJXOG-NSHDSACASA-N 1 1 311.342 -1.425 20 0 DAADMO CCNC(=O)C[NH2+]CCN(CCO)C(=O)C1=NC(=O)N(C)C1 ZINC001279820995 780628483 /nfs/dbraw/zinc/62/84/83/780628483.db2.gz SKDVSSURQZFMCA-UHFFFAOYSA-N 1 1 313.358 -1.714 20 0 DAADMO Cc1nonc1CC(=O)N(CCO)CC[NH2+]Cc1cn(C)nn1 ZINC001279869277 780628754 /nfs/dbraw/zinc/62/87/54/780628754.db2.gz OBZCAGFTPVWVLC-UHFFFAOYSA-N 1 1 323.357 -1.340 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCOC1 ZINC001279868416 780628980 /nfs/dbraw/zinc/62/89/80/780628980.db2.gz IESTXQPPRLTERP-ZDUSSCGKSA-N 1 1 312.374 -1.453 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001280850767 780646004 /nfs/dbraw/zinc/64/60/04/780646004.db2.gz SUHNHWIVPHPYTJ-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CN(CCC[N@@H+](C)CCN(C)S(C)(=O)=O)C(=O)C(N)=O ZINC001280850405 780646173 /nfs/dbraw/zinc/64/61/73/780646173.db2.gz PXAUTDPWDIKHGO-UHFFFAOYSA-N 1 1 308.404 -1.857 20 0 DAADMO CN(CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CC(N)=O ZINC001280905649 780647243 /nfs/dbraw/zinc/64/72/43/780647243.db2.gz GVBWPWFYPDNVFO-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO CN(CCOCCNC(=O)C(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001280914873 780648060 /nfs/dbraw/zinc/64/80/60/780648060.db2.gz JALBTMJZSQKETC-JTQLQIEISA-N 1 1 300.359 -1.985 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCOCCCNC(=O)C(N)=O)CC[N@H+]1C ZINC001280942644 780649033 /nfs/dbraw/zinc/64/90/33/780649033.db2.gz LFRXJFKDEKOEQK-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCCOCCNC(=O)C(N)=O)C1 ZINC001280945431 780649306 /nfs/dbraw/zinc/64/93/06/780649306.db2.gz TWXHSGJQBNCIQY-JTQLQIEISA-N 1 1 300.359 -1.938 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001281082111 780658470 /nfs/dbraw/zinc/65/84/70/780658470.db2.gz OFYYQFRRMJKNEX-SNVBAGLBSA-N 1 1 311.342 -2.079 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281091132 780659971 /nfs/dbraw/zinc/65/99/71/780659971.db2.gz PORAGHWPYCRUET-ZJUUUORDSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001281108196 780663189 /nfs/dbraw/zinc/66/31/89/780663189.db2.gz XMCCTBSXSIFBHW-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001281109777 780664588 /nfs/dbraw/zinc/66/45/88/780664588.db2.gz AURZEQRORJNKIS-SNVBAGLBSA-N 1 1 311.342 -1.950 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)C2 ZINC001281111854 780664675 /nfs/dbraw/zinc/66/46/75/780664675.db2.gz JZNMXTFCALNQAM-UWVGGRQHSA-N 1 1 323.353 -2.167 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC=C(CNC(=O)CC(N)=O)CC2)C1 ZINC001281368940 780681036 /nfs/dbraw/zinc/68/10/36/780681036.db2.gz SEJYORFTFIDBCF-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC=C(CNC(=O)CC(N)=O)CC2)C1 ZINC001281368940 780681038 /nfs/dbraw/zinc/68/10/38/780681038.db2.gz SEJYORFTFIDBCF-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001281486964 780683971 /nfs/dbraw/zinc/68/39/71/780683971.db2.gz ZZZQFQLSTSZNEP-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001281486964 780683973 /nfs/dbraw/zinc/68/39/73/780683973.db2.gz ZZZQFQLSTSZNEP-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@H](C)CNC(=O)C(N)=O ZINC001281491259 780684091 /nfs/dbraw/zinc/68/40/91/780684091.db2.gz RYXRQKGDHQCYSC-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@H](C)CNC(=O)C(N)=O ZINC001281491259 780684092 /nfs/dbraw/zinc/68/40/92/780684092.db2.gz RYXRQKGDHQCYSC-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCN1CC[C@@H]([NH+]2CCC(CO)(NC(=O)C(N)=O)CC2)C1=O ZINC001281817197 780691951 /nfs/dbraw/zinc/69/19/51/780691951.db2.gz PXEKQISHQRKONH-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC1)C[N@H+](CCOCCO)CCO2 ZINC001281782404 780692009 /nfs/dbraw/zinc/69/20/09/780692009.db2.gz HUHQZIOCOPYLGD-UHFFFAOYSA-N 1 1 315.370 -1.826 20 0 DAADMO NC(=O)C(=O)N1CCC2(CC1)C[N@@H+](CCOCCO)CCO2 ZINC001281782404 780692013 /nfs/dbraw/zinc/69/20/13/780692013.db2.gz HUHQZIOCOPYLGD-UHFFFAOYSA-N 1 1 315.370 -1.826 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)C[C@H]1CCCN1C(=O)C(N)=O ZINC001281958087 780697271 /nfs/dbraw/zinc/69/72/71/780697271.db2.gz YFUZAVUGBJJKMP-NEPJUHHUSA-N 1 1 309.370 -1.348 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001281943345 780697580 /nfs/dbraw/zinc/69/75/80/780697580.db2.gz ZHLHUQPFAKPEEG-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001281943345 780697584 /nfs/dbraw/zinc/69/75/84/780697584.db2.gz ZHLHUQPFAKPEEG-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001281926701 780697604 /nfs/dbraw/zinc/69/76/04/780697604.db2.gz QLYNNLOMKYUSAK-MXWKQRLJSA-N 1 1 324.381 -1.966 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001282202380 780702797 /nfs/dbraw/zinc/70/27/97/780702797.db2.gz LORKPFABSWOQOO-IUCAKERBSA-N 1 1 322.369 -1.149 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001282378538 780705952 /nfs/dbraw/zinc/70/59/52/780705952.db2.gz RVOHAPJDXDDZSK-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001282415111 780706852 /nfs/dbraw/zinc/70/68/52/780706852.db2.gz KFPGTNBCDHCJAX-MNOVXSKESA-N 1 1 323.353 -1.855 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCNC1=O)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282443103 780708915 /nfs/dbraw/zinc/70/89/15/780708915.db2.gz DWGSCPKOLABVSO-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](NC(=O)Cc1nc[nH]n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001282741195 780714140 /nfs/dbraw/zinc/71/41/40/780714140.db2.gz NSYQEWJVNFOXMG-WPRPVWTQSA-N 1 1 320.353 -1.411 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001282888944 780717944 /nfs/dbraw/zinc/71/79/44/780717944.db2.gz NIOPQVJMRIFUFR-KKOKHZNYSA-N 1 1 324.381 -1.445 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(=O)NCC3CC3)[C@@H]2C1 ZINC001282886898 780718097 /nfs/dbraw/zinc/71/80/97/780718097.db2.gz CUINGKWDOPRATE-XYYAHUGASA-N 1 1 322.409 -1.057 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001282886154 780718667 /nfs/dbraw/zinc/71/86/67/780718667.db2.gz AXKDOISSFLBABA-RVMXOQNASA-N 1 1 320.393 -1.305 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cn1cnnn1 ZINC001282905061 780720658 /nfs/dbraw/zinc/72/06/58/780720658.db2.gz LNGFSNNKQOSJJX-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282947292 780724886 /nfs/dbraw/zinc/72/48/86/780724886.db2.gz KVWCYEVNEPAFGM-VIFPVBQESA-N 1 1 321.403 -2.633 20 0 DAADMO Cc1nonc1CC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282958612 780725944 /nfs/dbraw/zinc/72/59/44/780725944.db2.gz DDDBUWAMTBWBEB-NSHDSACASA-N 1 1 311.342 -1.516 20 0 DAADMO Cc1nonc1CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282958612 780725951 /nfs/dbraw/zinc/72/59/51/780725951.db2.gz DDDBUWAMTBWBEB-NSHDSACASA-N 1 1 311.342 -1.516 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC001282959646 780726570 /nfs/dbraw/zinc/72/65/70/780726570.db2.gz NZUODVZAWOGYET-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001282986237 780730369 /nfs/dbraw/zinc/73/03/69/780730369.db2.gz PILYBRHIWPQQNX-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001283048054 780735762 /nfs/dbraw/zinc/73/57/62/780735762.db2.gz PRNIUQRHAHOWJV-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001283048054 780735765 /nfs/dbraw/zinc/73/57/65/780735765.db2.gz PRNIUQRHAHOWJV-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)Cn2ncn(C)c2=O)CC[N@H+]1C ZINC001283044056 780736091 /nfs/dbraw/zinc/73/60/91/780736091.db2.gz HBKWYHDPHIKZHP-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283064558 780738679 /nfs/dbraw/zinc/73/86/79/780738679.db2.gz AHSTULUSQBOGHC-NSHDSACASA-N 1 1 319.427 -1.006 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)c1cn(C)c(=O)n1C ZINC001283074247 780739331 /nfs/dbraw/zinc/73/93/31/780739331.db2.gz AJOHRQVUEYGIBB-UHFFFAOYSA-N 1 1 311.386 -1.088 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283109531 780742492 /nfs/dbraw/zinc/74/24/92/780742492.db2.gz YZJGGPVFNCZPAU-JTQLQIEISA-N 1 1 321.337 -1.523 20 0 DAADMO Cn1cncc1CC(=O)NCCNC(=O)CC[NH+]1CCOCC1 ZINC001283116739 780743889 /nfs/dbraw/zinc/74/38/89/780743889.db2.gz NBDQELDCGMUZGH-UHFFFAOYSA-N 1 1 323.397 -1.083 20 0 DAADMO CN1C[C@@H](C(=O)NCCCNC(=O)[C@@H]2CCC[N@H+]2C)NC1=O ZINC001283208481 780749780 /nfs/dbraw/zinc/74/97/80/780749780.db2.gz RYUPYWBSJQDJBE-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001283342676 780757124 /nfs/dbraw/zinc/75/71/24/780757124.db2.gz NFFSWXKBESMWRK-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1COC(=O)N1 ZINC001283375173 780757630 /nfs/dbraw/zinc/75/76/30/780757630.db2.gz QDGQYKNNPKLKKV-RKDXNWHRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1COC(=O)N1 ZINC001283375171 780757701 /nfs/dbraw/zinc/75/77/01/780757701.db2.gz QDGQYKNNPKLKKV-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@H]1CCCNC1=O ZINC001283386419 780757829 /nfs/dbraw/zinc/75/78/29/780757829.db2.gz BVBSVXAWLKGHNZ-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCCNC1=O ZINC001283386465 780758107 /nfs/dbraw/zinc/75/81/07/780758107.db2.gz CPNUDWYMAKCIEC-NSHDSACASA-N 1 1 314.386 -1.677 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCCNC1=O ZINC001283386465 780758114 /nfs/dbraw/zinc/75/81/14/780758114.db2.gz CPNUDWYMAKCIEC-NSHDSACASA-N 1 1 314.386 -1.677 20 0 DAADMO CC(=O)N1CC(C(=O)NCCOCC[N@H+](C)CC(N)=O)C1 ZINC001283375197 780758518 /nfs/dbraw/zinc/75/85/18/780758518.db2.gz RASOXAATIVNALD-UHFFFAOYSA-N 1 1 300.359 -1.985 20 0 DAADMO CC(=O)N1CC(C(=O)NCCOCC[N@@H+](C)CC(N)=O)C1 ZINC001283375197 780758514 /nfs/dbraw/zinc/75/85/14/780758514.db2.gz RASOXAATIVNALD-UHFFFAOYSA-N 1 1 300.359 -1.985 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCOCCNC(=O)c1cc(=O)n(C)cn1 ZINC001283386401 780758676 /nfs/dbraw/zinc/75/86/76/780758676.db2.gz BNTDDTFURWPCJY-LLVKDONJSA-N 1 1 312.370 -1.161 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCCNC2=O)nn1 ZINC001283374549 780758737 /nfs/dbraw/zinc/75/87/37/780758737.db2.gz JHWBERCQOITRAV-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283407032 780759430 /nfs/dbraw/zinc/75/94/30/780759430.db2.gz OTJVPGPYWJCLRV-VHSXEESVSA-N 1 1 315.374 -2.133 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001283406579 780759452 /nfs/dbraw/zinc/75/94/52/780759452.db2.gz FYXXNPIOMFCGRA-QMTHXVAHSA-N 1 1 314.386 -1.549 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283407024 780759606 /nfs/dbraw/zinc/75/96/06/780759606.db2.gz OTJVPGPYWJCLRV-NXEZZACHSA-N 1 1 315.374 -2.133 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@]1(C)CCC(=O)NC1)CC(N)=O ZINC001283409389 780759673 /nfs/dbraw/zinc/75/96/73/780759673.db2.gz XGFWILKJNVCZPC-CQSZACIVSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@]1(C)CCC(=O)NC1)CC(N)=O ZINC001283409389 780759680 /nfs/dbraw/zinc/75/96/80/780759680.db2.gz XGFWILKJNVCZPC-CQSZACIVSA-N 1 1 314.386 -1.547 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@]1(C)CCNC1=O ZINC001283406581 780759851 /nfs/dbraw/zinc/75/98/51/780759851.db2.gz FYXXNPIOMFCGRA-YGRLFVJLSA-N 1 1 314.386 -1.549 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@H]1CCS(=O)(=O)C1)CC(N)=O ZINC001283398875 780760154 /nfs/dbraw/zinc/76/01/54/780760154.db2.gz KJDHYVGZTCQYKW-SNVBAGLBSA-N 1 1 321.399 -2.029 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CCS(=O)(=O)C1)CC(N)=O ZINC001283398875 780760157 /nfs/dbraw/zinc/76/01/57/780760157.db2.gz KJDHYVGZTCQYKW-SNVBAGLBSA-N 1 1 321.399 -2.029 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001283422253 780761553 /nfs/dbraw/zinc/76/15/53/780761553.db2.gz AXFGXBZWDKECPN-SNVBAGLBSA-N 1 1 309.388 -2.265 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)c1cnn(C)n1 ZINC001283416808 780761632 /nfs/dbraw/zinc/76/16/32/780761632.db2.gz QBMOALHXTFHKMO-SNVBAGLBSA-N 1 1 312.374 -1.372 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)Cn2cnnn2)C1 ZINC001283487875 780763016 /nfs/dbraw/zinc/76/30/16/780763016.db2.gz JJFIJWSALMIYPH-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCN(C)C(=O)Cn1cnnn1 ZINC001283548591 780764904 /nfs/dbraw/zinc/76/49/04/780764904.db2.gz LWDGOVJULXZCJM-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001283617228 780767543 /nfs/dbraw/zinc/76/75/43/780767543.db2.gz HIZSJKMXNPMZJZ-CBAPKCEASA-N 1 1 310.314 -1.396 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001283745055 780771335 /nfs/dbraw/zinc/77/13/35/780771335.db2.gz OORVBULWTDMPJQ-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001283763019 780775294 /nfs/dbraw/zinc/77/52/94/780775294.db2.gz FFTNQYYSKXXMTG-MNOVXSKESA-N 1 1 321.337 -1.754 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(N)=O)cn1 ZINC001283771654 780775345 /nfs/dbraw/zinc/77/53/45/780775345.db2.gz JUCRNYDURQAGIU-NSHDSACASA-N 1 1 309.370 -1.137 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C2(C(N)=O)CC2)nn1C ZINC001283797716 780777901 /nfs/dbraw/zinc/77/79/01/780777901.db2.gz RVIYDFRHRPREOW-LLVKDONJSA-N 1 1 309.370 -1.439 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)NCc1ccccc1 ZINC001283798660 780778020 /nfs/dbraw/zinc/77/80/20/780778020.db2.gz ZFFKKOTZXXXENT-LLVKDONJSA-N 1 1 308.338 -2.145 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC001283795747 780778208 /nfs/dbraw/zinc/77/82/08/780778208.db2.gz GZPIDXBCQOPHTE-PWSUYJOCSA-N 1 1 320.349 -1.656 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCCC1 ZINC001283797374 780778307 /nfs/dbraw/zinc/77/83/07/780778307.db2.gz MYKCBABIZLIQRJ-JTQLQIEISA-N 1 1 300.359 -2.059 20 0 DAADMO CC(=O)N1CC[NH+](CCCNC(=O)C2(NC(N)=O)CC2)CC1 ZINC001283815889 780779445 /nfs/dbraw/zinc/77/94/45/780779445.db2.gz FWZOVQILXLCKQM-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001283821454 780780665 /nfs/dbraw/zinc/78/06/65/780780665.db2.gz OPSLDOWDQOQMJO-LLVKDONJSA-N 1 1 312.370 -1.841 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCNC(=O)C(N)=O)CC1 ZINC001283831274 780782747 /nfs/dbraw/zinc/78/27/47/780782747.db2.gz UVFSBTTXEUSQRI-LLVKDONJSA-N 1 1 311.386 -2.174 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CC(=O)NC2=O)on1 ZINC001283842592 780783735 /nfs/dbraw/zinc/78/37/35/780783735.db2.gz PXYFLOBHWKARHE-UWVGGRQHSA-N 1 1 324.337 -1.397 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC(=O)NC2=O)on1 ZINC001283842594 780784100 /nfs/dbraw/zinc/78/41/00/780784100.db2.gz PXYFLOBHWKARHE-ZJUUUORDSA-N 1 1 324.337 -1.397 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927863 780788566 /nfs/dbraw/zinc/78/85/66/780788566.db2.gz ODNJLYIVHSGYAJ-GHMZBOCLSA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927863 780788569 /nfs/dbraw/zinc/78/85/69/780788569.db2.gz ODNJLYIVHSGYAJ-GHMZBOCLSA-N 1 1 312.370 -1.797 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001284396918 780811177 /nfs/dbraw/zinc/81/11/77/780811177.db2.gz ASPGJYNBAGZUSB-NXEZZACHSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)C(=O)NCC(F)F ZINC001284430715 780815185 /nfs/dbraw/zinc/81/51/85/780815185.db2.gz UUSBQLOMIQBRQC-SECBINFHSA-N 1 1 320.296 -1.035 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnc2n1CCCC2)C(=O)C(N)=O ZINC001284444689 780818188 /nfs/dbraw/zinc/81/81/88/780818188.db2.gz MJUWIAJFAAFMID-VIFPVBQESA-N 1 1 310.358 -1.991 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284476271 780820559 /nfs/dbraw/zinc/82/05/59/780820559.db2.gz HFFYLBQPZUUYNS-VHSXEESVSA-N 1 1 301.343 -1.811 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C(=O)NCC(F)F ZINC001284502191 780822201 /nfs/dbraw/zinc/82/22/01/780822201.db2.gz MXXJEHTYKRSYPR-SSDOTTSWSA-N 1 1 310.301 -2.396 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C(=O)NCC(F)F ZINC001284502191 780822210 /nfs/dbraw/zinc/82/22/10/780822210.db2.gz MXXJEHTYKRSYPR-SSDOTTSWSA-N 1 1 310.301 -2.396 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284508264 780822741 /nfs/dbraw/zinc/82/27/41/780822741.db2.gz CMTGQBQIJNDOST-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284508264 780822747 /nfs/dbraw/zinc/82/27/47/780822747.db2.gz CMTGQBQIJNDOST-ZJUUUORDSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCCCC1)C(=O)C(N)=O ZINC001284508001 780823537 /nfs/dbraw/zinc/82/35/37/780823537.db2.gz ATIUUVXFFPJLRY-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCCCC1)C(=O)C(N)=O ZINC001284508001 780823549 /nfs/dbraw/zinc/82/35/49/780823549.db2.gz ATIUUVXFFPJLRY-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCN(C)C1=O ZINC001284510691 780823999 /nfs/dbraw/zinc/82/39/99/780823999.db2.gz ZJUFYNVAAWGOJL-RYUDHWBXSA-N 1 1 301.387 -1.402 20 0 DAADMO COCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001284508387 780824322 /nfs/dbraw/zinc/82/43/22/780824322.db2.gz DMAMSRJURRJUJR-JTQLQIEISA-N 1 1 300.363 -1.389 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001284508907 780824447 /nfs/dbraw/zinc/82/44/47/780824447.db2.gz HCLLURSYOKGCNU-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO COCCOCC(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284509979 780824552 /nfs/dbraw/zinc/82/45/52/780824552.db2.gz AYRWSMDAXIDYMR-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCCOCC(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284509979 780824557 /nfs/dbraw/zinc/82/45/57/780824557.db2.gz AYRWSMDAXIDYMR-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCC[N@H+](CCNC(=O)CC(N)=O)[C@H]1CCCNC1=O ZINC001284657058 780834518 /nfs/dbraw/zinc/83/45/18/780834518.db2.gz YEBPRYFDRGKOGS-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO COCC[N@@H+](CCNC(=O)CC(N)=O)[C@H]1CCCNC1=O ZINC001284657058 780834528 /nfs/dbraw/zinc/83/45/28/780834528.db2.gz YEBPRYFDRGKOGS-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CN(CCOCC[NH2+]Cc1cnn(C)n1)C(=O)c1nc[nH]n1 ZINC001284876422 780842153 /nfs/dbraw/zinc/84/21/53/780842153.db2.gz ADXOWLOAWCOAGR-UHFFFAOYSA-N 1 1 308.346 -1.188 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001284879720 780842555 /nfs/dbraw/zinc/84/25/55/780842555.db2.gz FNKTXFKXARAUDU-NSHDSACASA-N 1 1 305.342 -1.690 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001284879720 780842564 /nfs/dbraw/zinc/84/25/64/780842564.db2.gz FNKTXFKXARAUDU-NSHDSACASA-N 1 1 305.342 -1.690 20 0 DAADMO CN1CCC[C@H]1C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001284893482 780843923 /nfs/dbraw/zinc/84/39/23/780843923.db2.gz QSTBWRLPNADGOG-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001284908957 780845556 /nfs/dbraw/zinc/84/55/56/780845556.db2.gz MPVINAOZMSEXPU-CMPLNLGQSA-N 1 1 314.386 -1.201 20 0 DAADMO Cn1cnc(C(=O)NCC2=CC[N@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001284908549 780845607 /nfs/dbraw/zinc/84/56/07/780845607.db2.gz GIGXXFNTWUYSKG-UHFFFAOYSA-N 1 1 321.341 -1.628 20 0 DAADMO Cn1cnc(C(=O)NCC2=CC[N@@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001284908549 780845609 /nfs/dbraw/zinc/84/56/09/780845609.db2.gz GIGXXFNTWUYSKG-UHFFFAOYSA-N 1 1 321.341 -1.628 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001284921298 780846251 /nfs/dbraw/zinc/84/62/51/780846251.db2.gz TYDFIUHXCYIQKU-LBPRGKRZSA-N 1 1 323.397 -1.106 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2CC=C(CNC(=O)C(N)=O)CC2)CCO1 ZINC001284959693 780850212 /nfs/dbraw/zinc/85/02/12/780850212.db2.gz LXYSIVZKVAQFRR-LLVKDONJSA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2CC=C(CNC(=O)C(N)=O)CC2)CCO1 ZINC001284959693 780850216 /nfs/dbraw/zinc/85/02/16/780850216.db2.gz LXYSIVZKVAQFRR-LLVKDONJSA-N 1 1 324.381 -1.533 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001284959420 780850472 /nfs/dbraw/zinc/85/04/72/780850472.db2.gz LBEAZCBWVZUQTA-VXGBXAGGSA-N 1 1 312.370 -1.577 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001284957598 780850609 /nfs/dbraw/zinc/85/06/09/780850609.db2.gz RDRTVLXGUNSGES-VIFPVBQESA-N 1 1 318.399 -1.842 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001284957598 780850613 /nfs/dbraw/zinc/85/06/13/780850613.db2.gz RDRTVLXGUNSGES-VIFPVBQESA-N 1 1 318.399 -1.842 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001284959418 780851130 /nfs/dbraw/zinc/85/11/30/780851130.db2.gz LBEAZCBWVZUQTA-NEPJUHHUSA-N 1 1 312.370 -1.577 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC(CNC(=O)CC(N)=O)C2)no1 ZINC001284960001 780851257 /nfs/dbraw/zinc/85/12/57/780851257.db2.gz ODTZVIZVLKMQJP-UHFFFAOYSA-N 1 1 323.353 -1.200 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284968981 780851262 /nfs/dbraw/zinc/85/12/62/780851262.db2.gz POEGSIOQPOKUND-CYBMUJFWSA-N 1 1 324.385 -1.181 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC(CNC(=O)C(N)=O)C1)C2 ZINC001284989096 780852204 /nfs/dbraw/zinc/85/22/04/780852204.db2.gz GMZZXPFEPGFHQD-LLVKDONJSA-N 1 1 319.365 -1.186 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001284979148 780852230 /nfs/dbraw/zinc/85/22/30/780852230.db2.gz VXAPYRMYASKEGG-NSHDSACASA-N 1 1 304.354 -1.016 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001284979148 780852241 /nfs/dbraw/zinc/85/22/41/780852241.db2.gz VXAPYRMYASKEGG-NSHDSACASA-N 1 1 304.354 -1.016 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001284987372 780852548 /nfs/dbraw/zinc/85/25/48/780852548.db2.gz ZSOPVQIFRAFLIF-UHFFFAOYSA-N 1 1 310.354 -1.331 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001284979144 780852625 /nfs/dbraw/zinc/85/26/25/780852625.db2.gz VXAPYRMYASKEGG-LLVKDONJSA-N 1 1 304.354 -1.016 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001284979144 780852631 /nfs/dbraw/zinc/85/26/31/780852631.db2.gz VXAPYRMYASKEGG-LLVKDONJSA-N 1 1 304.354 -1.016 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(CNC(=O)C(N)=O)C1)C2 ZINC001284989098 780852770 /nfs/dbraw/zinc/85/27/70/780852770.db2.gz GMZZXPFEPGFHQD-NSHDSACASA-N 1 1 319.365 -1.186 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001285213825 780861485 /nfs/dbraw/zinc/86/14/85/780861485.db2.gz HMUBYBOXPCBBEO-VHSXEESVSA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001285213825 780861492 /nfs/dbraw/zinc/86/14/92/780861492.db2.gz HMUBYBOXPCBBEO-VHSXEESVSA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001285213823 780861526 /nfs/dbraw/zinc/86/15/26/780861526.db2.gz HMUBYBOXPCBBEO-UWVGGRQHSA-N 1 1 300.359 -1.939 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001285213823 780861533 /nfs/dbraw/zinc/86/15/33/780861533.db2.gz HMUBYBOXPCBBEO-UWVGGRQHSA-N 1 1 300.359 -1.939 20 0 DAADMO CN(CCN(C)C(=O)c1cc(C[NH+](C)C)on1)C(=O)C(N)=O ZINC001285381223 780865939 /nfs/dbraw/zinc/86/59/39/780865939.db2.gz JMLJQEIFNWIZED-UHFFFAOYSA-N 1 1 311.342 -1.248 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(N)=O)CC[N@H+]1C ZINC001285428405 780869588 /nfs/dbraw/zinc/86/95/88/780869588.db2.gz ZCKCSLQLBYEEIK-DCAQKATOSA-N 1 1 314.386 -1.815 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(N)=O)CC[N@H+]1C ZINC001285428413 780869719 /nfs/dbraw/zinc/86/97/19/780869719.db2.gz ZCKCSLQLBYEEIK-GARJFASQSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 ZINC001285570033 780877332 /nfs/dbraw/zinc/87/73/32/780877332.db2.gz FYDHEGSNPQCFBU-ZWNMCFTASA-N 1 1 311.386 -1.203 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001285558027 780877366 /nfs/dbraw/zinc/87/73/66/780877366.db2.gz NRYWTRJQCQJRJI-ZNRGBCAMSA-N 1 1 309.370 -1.592 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C(=O)NCC(F)F ZINC001285750181 780887660 /nfs/dbraw/zinc/88/76/60/780887660.db2.gz UYHILBIFUVOPHE-IUCAKERBSA-N 1 1 320.340 -1.060 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)CC2 ZINC001285769364 780887971 /nfs/dbraw/zinc/88/79/71/780887971.db2.gz MEUVMJGAHPRRHA-WCBMZHEXSA-N 1 1 307.354 -1.140 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285915405 780897009 /nfs/dbraw/zinc/89/70/09/780897009.db2.gz VWLVQBYQNXANEG-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001285915405 780897020 /nfs/dbraw/zinc/89/70/20/780897020.db2.gz VWLVQBYQNXANEG-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN(C(=O)CC(N)=O)C1 ZINC001285955717 780900676 /nfs/dbraw/zinc/90/06/76/780900676.db2.gz OHHOMMVWUSENCX-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001286178099 780907949 /nfs/dbraw/zinc/90/79/49/780907949.db2.gz MNUVOHVVTDOFDR-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001286259735 780911738 /nfs/dbraw/zinc/91/17/38/780911738.db2.gz KVCUHKAWZRYCGO-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCOCCN(C)C(=O)C(N)=O)CC[N@H+]1C ZINC001287408959 780916532 /nfs/dbraw/zinc/91/65/32/780916532.db2.gz HJYCYMPTWPFREI-GHMZBOCLSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCOCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C(N)=O ZINC001287393725 780916977 /nfs/dbraw/zinc/91/69/77/780916977.db2.gz CESTZSQDLOTYSU-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287747959 780922857 /nfs/dbraw/zinc/92/28/57/780922857.db2.gz QBOMVSSTSIXIRL-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287747959 780922863 /nfs/dbraw/zinc/92/28/63/780922863.db2.gz QBOMVSSTSIXIRL-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287751084 780923254 /nfs/dbraw/zinc/92/32/54/780923254.db2.gz MULRJXBFOYPSEO-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287751084 780923256 /nfs/dbraw/zinc/92/32/56/780923256.db2.gz MULRJXBFOYPSEO-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001287752034 780923355 /nfs/dbraw/zinc/92/33/55/780923355.db2.gz QUHKTWORMTVQHQ-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CCOCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001287752036 780923416 /nfs/dbraw/zinc/92/34/16/780923416.db2.gz QUHKTWORMTVQHQ-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001287754817 780924054 /nfs/dbraw/zinc/92/40/54/780924054.db2.gz OXBZPJZWKAKXBH-UWVGGRQHSA-N 1 1 300.359 -2.203 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001287754818 780924377 /nfs/dbraw/zinc/92/43/77/780924377.db2.gz OXBZPJZWKAKXBH-VHSXEESVSA-N 1 1 300.359 -2.203 20 0 DAADMO CCCOCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287757503 780925037 /nfs/dbraw/zinc/92/50/37/780925037.db2.gz QPTILPQXCPPKOH-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287757503 780925038 /nfs/dbraw/zinc/92/50/38/780925038.db2.gz QPTILPQXCPPKOH-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001287757502 780925321 /nfs/dbraw/zinc/92/53/21/780925321.db2.gz QPTILPQXCPPKOH-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001287757502 780925326 /nfs/dbraw/zinc/92/53/26/780925326.db2.gz QPTILPQXCPPKOH-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001287800774 780929159 /nfs/dbraw/zinc/92/91/59/780929159.db2.gz PFDXUYYMHXRYQL-ZJUUUORDSA-N 1 1 300.359 -2.061 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090823671 781351731 /nfs/dbraw/zinc/35/17/31/781351731.db2.gz LDHUMXFBXSZNTQ-RYUDHWBXSA-N 1 1 323.397 -1.221 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090825604 781351861 /nfs/dbraw/zinc/35/18/61/781351861.db2.gz UVLAUGQWJJVOJF-MNOVXSKESA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090825647 781351971 /nfs/dbraw/zinc/35/19/71/781351971.db2.gz VQKZHNFZWYSGAH-NEPJUHHUSA-N 1 1 322.365 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001090833586 781352356 /nfs/dbraw/zinc/35/23/56/781352356.db2.gz MZZGINFIUKVCHN-CMPLNLGQSA-N 1 1 312.370 -1.465 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)nn1 ZINC001090829728 781352548 /nfs/dbraw/zinc/35/25/48/781352548.db2.gz FCTWHRDIVOXUJP-PWSUYJOCSA-N 1 1 322.369 -1.662 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090825648 781353204 /nfs/dbraw/zinc/35/32/04/781353204.db2.gz VQKZHNFZWYSGAH-NWDGAFQWSA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090823669 781353598 /nfs/dbraw/zinc/35/35/98/781353598.db2.gz LDHUMXFBXSZNTQ-NWDGAFQWSA-N 1 1 323.397 -1.221 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001090833589 781353887 /nfs/dbraw/zinc/35/38/87/781353887.db2.gz MZZGINFIUKVCHN-ZYHUDNBSSA-N 1 1 312.370 -1.465 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001090834170 781354016 /nfs/dbraw/zinc/35/40/16/781354016.db2.gz SNSGCTYIBVJBLW-WPRPVWTQSA-N 1 1 312.330 -3.079 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001090833588 781354048 /nfs/dbraw/zinc/35/40/48/781354048.db2.gz MZZGINFIUKVCHN-PWSUYJOCSA-N 1 1 312.370 -1.465 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001090840355 781354328 /nfs/dbraw/zinc/35/43/28/781354328.db2.gz YDJVJNZYZCKALS-GXFFZTMASA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090839741 781354578 /nfs/dbraw/zinc/35/45/78/781354578.db2.gz RYFBNQSZHJAFSM-CABZTGNLSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC001090843929 781355009 /nfs/dbraw/zinc/35/50/09/781355009.db2.gz MTLTUFVALYGEAR-YPMHNXCESA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)n(C)c1=O ZINC001090837799 781355644 /nfs/dbraw/zinc/35/56/44/781355644.db2.gz XJDYWJSXFSMKJQ-JQWIXIFHSA-N 1 1 312.370 -1.729 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001090840358 781355674 /nfs/dbraw/zinc/35/56/74/781355674.db2.gz YDJVJNZYZCKALS-MFKMUULPSA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090859355 781361056 /nfs/dbraw/zinc/36/10/56/781361056.db2.gz VQFLIIPMGWOVSL-CMPLNLGQSA-N 1 1 308.338 -1.662 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143675420 781361374 /nfs/dbraw/zinc/36/13/74/781361374.db2.gz IDCBIZMSQGGYBE-ZIAGYGMSSA-N 1 1 324.377 -1.546 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143675420 781361382 /nfs/dbraw/zinc/36/13/82/781361382.db2.gz IDCBIZMSQGGYBE-ZIAGYGMSSA-N 1 1 324.377 -1.546 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149143674 781362393 /nfs/dbraw/zinc/36/23/93/781362393.db2.gz KTYIARVUFMPDHE-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149144486 781363279 /nfs/dbraw/zinc/36/32/79/781363279.db2.gz RIJWCDUMMAKRPI-WDEREUQCSA-N 1 1 323.357 -2.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149144486 781363288 /nfs/dbraw/zinc/36/32/88/781363288.db2.gz RIJWCDUMMAKRPI-WDEREUQCSA-N 1 1 323.357 -2.231 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144802 781363680 /nfs/dbraw/zinc/36/36/80/781363680.db2.gz UPIVBPKUWBCPNE-ZJUUUORDSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144802 781363687 /nfs/dbraw/zinc/36/36/87/781363687.db2.gz UPIVBPKUWBCPNE-ZJUUUORDSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144801 781364671 /nfs/dbraw/zinc/36/46/71/781364671.db2.gz UPIVBPKUWBCPNE-VHSXEESVSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144801 781364681 /nfs/dbraw/zinc/36/46/81/781364681.db2.gz UPIVBPKUWBCPNE-VHSXEESVSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001091076374 781374188 /nfs/dbraw/zinc/37/41/88/781374188.db2.gz XKQYIIKNWINDLO-YUVKLTJASA-N 1 1 324.385 -1.002 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001091080149 781375139 /nfs/dbraw/zinc/37/51/39/781375139.db2.gz SWAXEZRNMDXHBD-ILDUYXDCSA-N 1 1 321.385 -1.279 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110112955 781375522 /nfs/dbraw/zinc/37/55/22/781375522.db2.gz VYIZMNBZAIUJGJ-VWYCJHECSA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001091115338 781377492 /nfs/dbraw/zinc/37/74/92/781377492.db2.gz LCPJYHIBEJTNTF-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@@H+](C1CN(C(=O)CCCS(N)(=O)=O)C1)[C@H]1CCOC1 ZINC001144588422 781380209 /nfs/dbraw/zinc/38/02/09/781380209.db2.gz WROSXQZKRKWIOW-JTQLQIEISA-N 1 1 305.400 -1.013 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149206520 781382374 /nfs/dbraw/zinc/38/23/74/781382374.db2.gz HFEYXRLVXIKJBJ-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149206520 781382381 /nfs/dbraw/zinc/38/23/81/781382381.db2.gz HFEYXRLVXIKJBJ-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001091185232 781382929 /nfs/dbraw/zinc/38/29/29/781382929.db2.gz HBDNASWDNWLFGQ-ILDUYXDCSA-N 1 1 321.385 -1.185 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091192386 781383606 /nfs/dbraw/zinc/38/36/06/781383606.db2.gz VMXPEPDSNIOFOZ-MNOVXSKESA-N 1 1 322.369 -1.312 20 0 DAADMO COc1ccc([C@H](O)C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001144785538 781385093 /nfs/dbraw/zinc/38/50/93/781385093.db2.gz GTXNKFOBGPVTKB-VOAKCMCISA-N 1 1 307.354 -1.752 20 0 DAADMO COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001144812204 781385920 /nfs/dbraw/zinc/38/59/20/781385920.db2.gz PDYPNAHCHJWTQV-LVEVGFFFSA-N 1 1 311.386 -1.515 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001091207274 781386139 /nfs/dbraw/zinc/38/61/39/781386139.db2.gz WEADGAZPPGLGJE-UHFFFAOYSA-N 1 1 318.341 -1.408 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(Br)CCC2)[C@@H]2NCN[C@@H]21 ZINC001144753638 781386209 /nfs/dbraw/zinc/38/62/09/781386209.db2.gz XCHSJINOHCWAMP-PRJMDXOYSA-N 1 1 304.192 -1.177 20 0 DAADMO CSCC[C@H](NC(C)=O)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001144865474 781386543 /nfs/dbraw/zinc/38/65/43/781386543.db2.gz AKNOISNLMQWCQJ-NAKRPEOUSA-N 1 1 316.431 -2.237 20 0 DAADMO O=C(NCC1CC([NH2+]Cc2cnon2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001091260893 781386808 /nfs/dbraw/zinc/38/68/08/781386808.db2.gz LUSAWQFOPIZLNC-KTOWXAHTSA-N 1 1 322.325 -1.348 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001091236400 781387447 /nfs/dbraw/zinc/38/74/47/781387447.db2.gz ZQUUYTKTWSOVJL-BMNUFHGDSA-N 1 1 307.358 -1.684 20 0 DAADMO Cc1ccc(C(=O)NCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001144883087 781388489 /nfs/dbraw/zinc/38/84/89/781388489.db2.gz YWNZRWYNPFOXQQ-IHRRRGAJSA-N 1 1 318.381 -1.756 20 0 DAADMO Cc1ccc(C(=O)NCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001144883086 781388648 /nfs/dbraw/zinc/38/86/48/781388648.db2.gz YWNZRWYNPFOXQQ-HZSPNIEDSA-N 1 1 318.381 -1.756 20 0 DAADMO Cc1ccc(C(=O)NCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001144883088 781389518 /nfs/dbraw/zinc/38/95/18/781389518.db2.gz YWNZRWYNPFOXQQ-MELADBBJSA-N 1 1 318.381 -1.756 20 0 DAADMO CC(C)(C)[NH+]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144899364 781393131 /nfs/dbraw/zinc/39/31/31/781393131.db2.gz JMEXZRRPOBCMHI-GARJFASQSA-N 1 1 318.370 -2.427 20 0 DAADMO O=C(C(=O)N1CC[NH+]2CCC1CC2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899668 781393218 /nfs/dbraw/zinc/39/32/18/781393218.db2.gz MLYLHISTSLYRAW-GARJFASQSA-N 1 1 302.327 -3.063 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144900428 781393967 /nfs/dbraw/zinc/39/39/67/781393967.db2.gz RSOCYBFUXOXTAI-DDHJBXDOSA-N 1 1 318.370 -2.428 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001144900813 781394518 /nfs/dbraw/zinc/39/45/18/781394518.db2.gz UYQUJDBLZAQOIH-YBXAARCKSA-N 1 1 316.354 -2.817 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902981 781396523 /nfs/dbraw/zinc/39/65/23/781396523.db2.gz IEEBTBFSMQXWHS-LMLFDSFASA-N 1 1 304.343 -2.769 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902980 781396809 /nfs/dbraw/zinc/39/68/09/781396809.db2.gz IEEBTBFSMQXWHS-GWOFURMSSA-N 1 1 304.343 -2.769 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906730 781399040 /nfs/dbraw/zinc/39/90/40/781399040.db2.gz UURLXGAQTKJUFH-KXUCPTDWSA-N 1 1 301.299 -3.048 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144907470 781399422 /nfs/dbraw/zinc/39/94/22/781399422.db2.gz XWUILSGWAMSMRH-WISYIIOYSA-N 1 1 318.370 -2.521 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144907468 781400305 /nfs/dbraw/zinc/40/03/05/781400305.db2.gz XWUILSGWAMSMRH-DDHJBXDOSA-N 1 1 318.370 -2.521 20 0 DAADMO CC(=O)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001144924551 781405481 /nfs/dbraw/zinc/40/54/81/781405481.db2.gz NVEGGHFYJGTNOZ-RFGFWPKPSA-N 1 1 319.365 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091466926 781408646 /nfs/dbraw/zinc/40/86/46/781408646.db2.gz JEEXKZUDDYULGB-CWSCBRNRSA-N 1 1 307.358 -1.673 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000043121939 781409314 /nfs/dbraw/zinc/40/93/14/781409314.db2.gz WOXRCCVLYVPEMK-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO Cn1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262689 781409406 /nfs/dbraw/zinc/40/94/06/781409406.db2.gz IMECYDMTIFVFLQ-FAQVLOEFSA-N 1 1 322.325 -1.868 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)COCc2nncn2C)nn1 ZINC001146207535 781410165 /nfs/dbraw/zinc/41/01/65/781410165.db2.gz ABWIOINSCRRANE-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)COCc2nncn2C)n1 ZINC001146208819 781412100 /nfs/dbraw/zinc/41/21/00/781412100.db2.gz OXBKZYGGKGFFLZ-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001146224662 781413767 /nfs/dbraw/zinc/41/37/67/781413767.db2.gz IFSRPOUTUVVOIU-BDAKNGLRSA-N 1 1 312.378 -1.359 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@]3(C)C2)C1=O ZINC001091555694 781415705 /nfs/dbraw/zinc/41/57/05/781415705.db2.gz NRFCZFZGQMWLJU-ZETOZRRWSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660933 781418063 /nfs/dbraw/zinc/41/80/63/781418063.db2.gz KYZCEZGSFMHATL-UHFFFAOYSA-N 1 1 324.345 -2.254 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)nn1 ZINC001146655254 781419074 /nfs/dbraw/zinc/41/90/74/781419074.db2.gz GVXRYFFUQNVIAR-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)n1 ZINC001146879029 781422814 /nfs/dbraw/zinc/42/28/14/781422814.db2.gz QQYXGNQSOQWCSM-UHFFFAOYSA-N 1 1 308.342 -1.432 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146877965 781423224 /nfs/dbraw/zinc/42/32/24/781423224.db2.gz DGCHFQJKMOLYIR-UHFFFAOYSA-N 1 1 309.330 -2.037 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)n1 ZINC001146879420 781423858 /nfs/dbraw/zinc/42/38/58/781423858.db2.gz ZYMFRWGZLBFDAW-UHFFFAOYSA-N 1 1 323.357 -1.554 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001146950411 781424224 /nfs/dbraw/zinc/42/42/24/781424224.db2.gz AHEVBSKSIVWNDM-UHFFFAOYSA-N 1 1 300.359 -1.802 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCCC1)C2 ZINC001146951559 781424642 /nfs/dbraw/zinc/42/46/42/781424642.db2.gz SRGKUVVESXJASM-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001147000114 781425976 /nfs/dbraw/zinc/42/59/76/781425976.db2.gz VPQNKWJZGYBEPW-JTQLQIEISA-N 1 1 300.359 -1.804 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001146999926 781426181 /nfs/dbraw/zinc/42/61/81/781426181.db2.gz QJPYINPYORYXEQ-UHFFFAOYSA-N 1 1 312.330 -2.616 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001146999926 781426187 /nfs/dbraw/zinc/42/61/87/781426187.db2.gz QJPYINPYORYXEQ-UHFFFAOYSA-N 1 1 312.330 -2.616 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001146999906 781426338 /nfs/dbraw/zinc/42/63/38/781426338.db2.gz PGIWSFNUNOSGDZ-UHFFFAOYSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001146999906 781426344 /nfs/dbraw/zinc/42/63/44/781426344.db2.gz PGIWSFNUNOSGDZ-UHFFFAOYSA-N 1 1 309.370 -1.532 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@]2(C)C1 ZINC001091609934 781426484 /nfs/dbraw/zinc/42/64/84/781426484.db2.gz OTGVXQRFEPQZGN-YGRLFVJLSA-N 1 1 322.369 -1.490 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001146984591 781426550 /nfs/dbraw/zinc/42/65/50/781426550.db2.gz BYFUMAODWKBHQL-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001146985997 781426896 /nfs/dbraw/zinc/42/68/96/781426896.db2.gz KTXUZEGXHPGBSM-ZDUSSCGKSA-N 1 1 309.374 -1.326 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001146984590 781427362 /nfs/dbraw/zinc/42/73/62/781427362.db2.gz BYFUMAODWKBHQL-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@]12CN(C(=O)CN3CN=NC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091609417 781427459 /nfs/dbraw/zinc/42/74/59/781427459.db2.gz GMKFPZKCIRNYLH-RNCFNFMXSA-N 1 1 308.342 -1.751 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001147005133 781428701 /nfs/dbraw/zinc/42/87/01/781428701.db2.gz CTPKRPITIHJICP-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974711 781428741 /nfs/dbraw/zinc/42/87/41/781428741.db2.gz WKPDSGDILQBNSC-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974711 781428745 /nfs/dbraw/zinc/42/87/45/781428745.db2.gz WKPDSGDILQBNSC-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147035206 781428981 /nfs/dbraw/zinc/42/89/81/781428981.db2.gz VGYYIMLWEKFANN-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)CNC(N)=O)C3)C2)C1=O ZINC001147005131 781429647 /nfs/dbraw/zinc/42/96/47/781429647.db2.gz CTPKRPITIHJICP-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001147106079 781432257 /nfs/dbraw/zinc/43/22/57/781432257.db2.gz LNKGKCQZJNIDIA-JTQLQIEISA-N 1 1 310.354 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001147106079 781432264 /nfs/dbraw/zinc/43/22/64/781432264.db2.gz LNKGKCQZJNIDIA-JTQLQIEISA-N 1 1 310.354 -1.248 20 0 DAADMO COC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147083030 781433740 /nfs/dbraw/zinc/43/37/40/781433740.db2.gz MNOLYNXJBYXXHZ-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001147082739 781433885 /nfs/dbraw/zinc/43/38/85/781433885.db2.gz FKWGCDFWTUWDFB-NSHDSACASA-N 1 1 320.411 -1.427 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001147082739 781433889 /nfs/dbraw/zinc/43/38/89/781433889.db2.gz FKWGCDFWTUWDFB-NSHDSACASA-N 1 1 320.411 -1.427 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099887217 781434674 /nfs/dbraw/zinc/43/46/74/781434674.db2.gz ANYQKYNWNCCOHD-WDEREUQCSA-N 1 1 317.386 -1.942 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099887216 781434727 /nfs/dbraw/zinc/43/47/27/781434727.db2.gz ANYQKYNWNCCOHD-QWRGUYRKSA-N 1 1 317.386 -1.942 20 0 DAADMO CN(CC[NH2+]CCNC(=O)Cc1nnc[nH]1)S(C)(=O)=O ZINC001147277552 781436575 /nfs/dbraw/zinc/43/65/75/781436575.db2.gz IWGKKNAAOKVZFW-UHFFFAOYSA-N 1 1 304.376 -2.056 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC1CC1)C2 ZINC001147268856 781436652 /nfs/dbraw/zinc/43/66/52/781436652.db2.gz UTJNOXCMJGBFNK-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC1CC1)C2 ZINC001147268856 781436660 /nfs/dbraw/zinc/43/66/60/781436660.db2.gz UTJNOXCMJGBFNK-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NCC(F)(F)F ZINC001147271514 781436750 /nfs/dbraw/zinc/43/67/50/781436750.db2.gz HDXYQPQUYIIXHA-UHFFFAOYSA-N 1 1 308.264 -1.269 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274894 781436775 /nfs/dbraw/zinc/43/67/75/781436775.db2.gz XBMJHRUSFSODJD-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274894 781436780 /nfs/dbraw/zinc/43/67/80/781436780.db2.gz XBMJHRUSFSODJD-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)CCO1 ZINC001147264772 781436850 /nfs/dbraw/zinc/43/68/50/781436850.db2.gz OODCZNCZUWEWNB-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001147278112 781436884 /nfs/dbraw/zinc/43/68/84/781436884.db2.gz QTVGSBOYKQGEIQ-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271601 781436982 /nfs/dbraw/zinc/43/69/82/781436982.db2.gz KJOSVIOFONHFPF-MRVPVSSYSA-N 1 1 311.346 -1.713 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NC[C@@H]1CCOC1 ZINC001147271553 781437144 /nfs/dbraw/zinc/43/71/44/781437144.db2.gz IGJLQRGADWPVML-JTQLQIEISA-N 1 1 310.358 -1.794 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NC[C@@H]1CCCO1 ZINC001147277233 781437331 /nfs/dbraw/zinc/43/73/31/781437331.db2.gz ABKKBOBYKGPJDL-JTQLQIEISA-N 1 1 310.358 -1.652 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001147274912 781437434 /nfs/dbraw/zinc/43/74/34/781437434.db2.gz YBKISQGBZVUKOV-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001147274912 781437438 /nfs/dbraw/zinc/43/74/38/781437438.db2.gz YBKISQGBZVUKOV-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001147278169 781437551 /nfs/dbraw/zinc/43/75/51/781437551.db2.gz SOFHNXXUPQUTHS-UHFFFAOYSA-N 1 1 310.358 -1.652 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)C[C@@H](C)O1 ZINC001147271372 781437665 /nfs/dbraw/zinc/43/76/65/781437665.db2.gz CYNPWHQHXGKZQJ-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001147264885 781437794 /nfs/dbraw/zinc/43/77/94/781437794.db2.gz QSJDOEMVZUENED-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1)c1nnnn1C ZINC001147307196 781439795 /nfs/dbraw/zinc/43/97/95/781439795.db2.gz HKBPAUWPFSZZDH-SECBINFHSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccon1 ZINC001147364399 781440963 /nfs/dbraw/zinc/44/09/63/781440963.db2.gz UFDFEPGMHPQNQR-SECBINFHSA-N 1 1 322.329 -1.928 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147422507 781442886 /nfs/dbraw/zinc/44/28/86/781442886.db2.gz OSXLBRGVYKFSCP-NSHDSACASA-N 1 1 314.386 -1.414 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 ZINC001147475749 781442935 /nfs/dbraw/zinc/44/29/35/781442935.db2.gz LDZYNOTWWICLMW-LLVKDONJSA-N 1 1 309.370 -1.030 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)n1 ZINC001147476172 781443304 /nfs/dbraw/zinc/44/33/04/781443304.db2.gz PJVUHHBHYLUWKU-UHFFFAOYSA-N 1 1 309.370 -1.028 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)nn1 ZINC001147461860 781443704 /nfs/dbraw/zinc/44/37/04/781443704.db2.gz DRELJMAXDFAYFH-UHFFFAOYSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(=O)N[C@](C)(C(=O)NCC[NH2+]Cc1nnnn1C)C1CC1 ZINC001147466603 781443981 /nfs/dbraw/zinc/44/39/81/781443981.db2.gz QJNAHJCXDRJGAM-ZDUSSCGKSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)c2cc3n(n2)CCNC3=O)CC1 ZINC001147551658 781445779 /nfs/dbraw/zinc/44/57/79/781445779.db2.gz ZUGWSHHJHUABMQ-UHFFFAOYSA-N 1 1 320.397 -1.006 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@H](C)NC(N)=O)C2)C1 ZINC001147547032 781445985 /nfs/dbraw/zinc/44/59/85/781445985.db2.gz OKKDYJQZSDFDFE-VHSXEESVSA-N 1 1 311.386 -1.159 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]2NCN[C@@H]21 ZINC001147554010 781446009 /nfs/dbraw/zinc/44/60/09/781446009.db2.gz AQMRCLXWMKXDGL-BBBLOLIVSA-N 1 1 306.330 -3.241 20 0 DAADMO COCCOCC[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147565796 781447258 /nfs/dbraw/zinc/44/72/58/781447258.db2.gz KYCUCZYCFQNPNE-UHFFFAOYSA-N 1 1 324.385 -1.130 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2)NC(N)=O ZINC001147566219 781447832 /nfs/dbraw/zinc/44/78/32/781447832.db2.gz MEVDHAPKVLDJKY-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCCN(C)C1=O ZINC001147634788 781448954 /nfs/dbraw/zinc/44/89/54/781448954.db2.gz UNISFUKXKHCXIK-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)nn1 ZINC001147644201 781449718 /nfs/dbraw/zinc/44/97/18/781449718.db2.gz GKLZWIBXWYVGHK-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)S(C)(=O)=O)C2)C1 ZINC001147665888 781450390 /nfs/dbraw/zinc/45/03/90/781450390.db2.gz VWHKSPOGEKBUOB-NSHDSACASA-N 1 1 319.427 -1.207 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001147670366 781451018 /nfs/dbraw/zinc/45/10/18/781451018.db2.gz RHFWIEUZAAEMSL-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147658264 781451049 /nfs/dbraw/zinc/45/10/49/781451049.db2.gz NJMPVXUXQLDDBT-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147658264 781451052 /nfs/dbraw/zinc/45/10/52/781451052.db2.gz NJMPVXUXQLDDBT-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO COCC(=O)NCCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147665957 781451188 /nfs/dbraw/zinc/45/11/88/781451188.db2.gz YIVJJHLWDDDLBN-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO COCC(=O)NCCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147665957 781451194 /nfs/dbraw/zinc/45/11/94/781451194.db2.gz YIVJJHLWDDDLBN-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147669644 781451363 /nfs/dbraw/zinc/45/13/63/781451363.db2.gz INGNACKUQHLQBP-JTQLQIEISA-N 1 1 309.370 -1.662 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@]2(C)C1 ZINC001091645674 781452395 /nfs/dbraw/zinc/45/23/95/781452395.db2.gz SLNLUUNFDXLDBL-YGRLFVJLSA-N 1 1 306.370 -1.045 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)nn1 ZINC001147651218 781452423 /nfs/dbraw/zinc/45/24/23/781452423.db2.gz XJWHDQAGCUSRDA-UHFFFAOYSA-N 1 1 323.357 -1.602 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147686815 781452472 /nfs/dbraw/zinc/45/24/72/781452472.db2.gz ATLJZCLLJPPONQ-WPRPVWTQSA-N 1 1 320.353 -1.579 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147686815 781452479 /nfs/dbraw/zinc/45/24/79/781452479.db2.gz ATLJZCLLJPPONQ-WPRPVWTQSA-N 1 1 320.353 -1.579 20 0 DAADMO O=C(C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1)NC1CC1 ZINC001147688291 781452694 /nfs/dbraw/zinc/45/26/94/781452694.db2.gz KGJIONHPBSROMR-SECBINFHSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147687313 781453161 /nfs/dbraw/zinc/45/31/61/781453161.db2.gz CUOZZFRPLZOCIN-MWLCHTKSSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147687313 781453167 /nfs/dbraw/zinc/45/31/67/781453167.db2.gz CUOZZFRPLZOCIN-MWLCHTKSSA-N 1 1 306.370 -1.106 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCc3n[nH]nc3C2)nn1 ZINC001147687597 781453456 /nfs/dbraw/zinc/45/34/56/781453456.db2.gz FQHBKTIHLQIRKO-SECBINFHSA-N 1 1 304.358 -1.056 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1CCc2[nH]nnc2C1 ZINC001147687317 781453536 /nfs/dbraw/zinc/45/35/36/781453536.db2.gz CUOZZFRPLZOCIN-ONGXEEELSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1CCc2nn[nH]c2C1 ZINC001147687317 781453540 /nfs/dbraw/zinc/45/35/40/781453540.db2.gz CUOZZFRPLZOCIN-ONGXEEELSA-N 1 1 306.370 -1.106 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147686805 781453638 /nfs/dbraw/zinc/45/36/38/781453638.db2.gz ATLJZCLLJPPONQ-PSASIEDQSA-N 1 1 320.353 -1.579 20 0 DAADMO O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147686805 781453644 /nfs/dbraw/zinc/45/36/44/781453644.db2.gz ATLJZCLLJPPONQ-PSASIEDQSA-N 1 1 320.353 -1.579 20 0 DAADMO CC(=O)Nc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccn1 ZINC001147832522 781459306 /nfs/dbraw/zinc/45/93/06/781459306.db2.gz QKCPMSCCIZFHME-GRYCIOLGSA-N 1 1 305.342 -1.827 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001147972352 781460685 /nfs/dbraw/zinc/46/06/85/781460685.db2.gz OGNVYZPKYOPIGH-UHFFFAOYSA-N 1 1 308.379 -1.456 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147971878 781460761 /nfs/dbraw/zinc/46/07/61/781460761.db2.gz ASFIUFVQUPTJJG-UHFFFAOYSA-N 1 1 306.388 -2.433 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001148025102 781462709 /nfs/dbraw/zinc/46/27/09/781462709.db2.gz UEQLWORBICEMAS-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001148025102 781462715 /nfs/dbraw/zinc/46/27/15/781462715.db2.gz UEQLWORBICEMAS-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148032287 781462744 /nfs/dbraw/zinc/46/27/44/781462744.db2.gz HMURYZUCMHDWDI-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091673183 781463252 /nfs/dbraw/zinc/46/32/52/781463252.db2.gz AXHGGMXYZUDANT-MFKMUULPSA-N 1 1 307.358 -1.801 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052547 781463295 /nfs/dbraw/zinc/46/32/95/781463295.db2.gz FNZUYYUYPRJNSR-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052547 781463298 /nfs/dbraw/zinc/46/32/98/781463298.db2.gz FNZUYYUYPRJNSR-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO CCC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)S(N)(=O)=O ZINC001147985468 781463444 /nfs/dbraw/zinc/46/34/44/781463444.db2.gz IDZQVHFSJOMALV-LLVKDONJSA-N 1 1 319.427 -1.030 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148046286 781463736 /nfs/dbraw/zinc/46/37/36/781463736.db2.gz XOYHCJOPWUJPNM-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001148046286 781463741 /nfs/dbraw/zinc/46/37/41/781463741.db2.gz XOYHCJOPWUJPNM-NSHDSACASA-N 1 1 308.382 -1.207 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675371 781464364 /nfs/dbraw/zinc/46/43/64/781464364.db2.gz QDHBIGFFLLIXEM-SUNKGSAMSA-N 1 1 321.385 -1.283 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148168108 781464496 /nfs/dbraw/zinc/46/44/96/781464496.db2.gz NTDCPPQEYBFEIN-GHMZBOCLSA-N 1 1 312.370 -1.791 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675365 781464809 /nfs/dbraw/zinc/46/48/09/781464809.db2.gz PXIVPVPEKVNICS-CWSCBRNRSA-N 1 1 307.358 -1.673 20 0 DAADMO CN(C)c1ccc(C(=O)NCC[NH2+]Cc2nnnn2C)nn1 ZINC001148149056 781465112 /nfs/dbraw/zinc/46/51/12/781465112.db2.gz NJWZGDKUFVJGCG-UHFFFAOYSA-N 1 1 305.346 -1.414 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148168018 781465128 /nfs/dbraw/zinc/46/51/28/781465128.db2.gz NIDXWMOZKRTLJG-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167168 781465208 /nfs/dbraw/zinc/46/52/08/781465208.db2.gz ATBDOKVPWWAQJR-NSHDSACASA-N 1 1 323.397 -1.273 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167168 781465213 /nfs/dbraw/zinc/46/52/13/781465213.db2.gz ATBDOKVPWWAQJR-NSHDSACASA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167960 781465321 /nfs/dbraw/zinc/46/53/21/781465321.db2.gz MAMZLGJXBUINKK-MRVPVSSYSA-N 1 1 324.341 -2.603 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167960 781465325 /nfs/dbraw/zinc/46/53/25/781465325.db2.gz MAMZLGJXBUINKK-MRVPVSSYSA-N 1 1 324.341 -2.603 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC001148199568 781465588 /nfs/dbraw/zinc/46/55/88/781465588.db2.gz KHYWVOCQAXSCPG-LLVKDONJSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC001148199568 781465596 /nfs/dbraw/zinc/46/55/96/781465596.db2.gz KHYWVOCQAXSCPG-LLVKDONJSA-N 1 1 324.381 -1.699 20 0 DAADMO NC(=O)C1(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)CC1 ZINC001148174421 781467253 /nfs/dbraw/zinc/46/72/53/781467253.db2.gz MRUQXZOGBNPUTH-UHFFFAOYSA-N 1 1 311.382 -1.205 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148350948 781467978 /nfs/dbraw/zinc/46/79/78/781467978.db2.gz GGTWWMAIAOBZGI-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148297754 781468474 /nfs/dbraw/zinc/46/84/74/781468474.db2.gz BOZFMLFVLRRYRK-UTUOFQBUSA-N 1 1 311.382 -1.351 20 0 DAADMO COC(=O)c1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001148239755 781468908 /nfs/dbraw/zinc/46/89/08/781468908.db2.gz QEIXQHYUNIPXDV-SRVKXCTJSA-N 1 1 305.338 -1.394 20 0 DAADMO COC(=O)c1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001148239749 781468977 /nfs/dbraw/zinc/46/89/77/781468977.db2.gz QEIXQHYUNIPXDV-GRYCIOLGSA-N 1 1 305.338 -1.394 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148363105 781469812 /nfs/dbraw/zinc/46/98/12/781469812.db2.gz AOGURWXWVJSEOU-UHFFFAOYSA-N 1 1 320.415 -2.091 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@]2(C)C1 ZINC001091714734 781469915 /nfs/dbraw/zinc/46/99/15/781469915.db2.gz GAMBWXJTGMIWNT-HSMVNMDESA-N 1 1 322.409 -1.009 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148428203 781470240 /nfs/dbraw/zinc/47/02/40/781470240.db2.gz ZJSAQBWGXOGLEW-JTQLQIEISA-N 1 1 309.374 -1.042 20 0 DAADMO CC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894101 781470979 /nfs/dbraw/zinc/47/09/79/781470979.db2.gz FDWJCSMUJXSSKD-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894101 781470983 /nfs/dbraw/zinc/47/09/83/781470983.db2.gz FDWJCSMUJXSSKD-MNOVXSKESA-N 1 1 308.400 -1.381 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CCF)C2)C(N)=O ZINC001148390166 781471110 /nfs/dbraw/zinc/47/11/10/781471110.db2.gz CZQSWVIRHYBFLY-NSHDSACASA-N 1 1 314.361 -1.130 20 0 DAADMO CC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894102 781471128 /nfs/dbraw/zinc/47/11/28/781471128.db2.gz FDWJCSMUJXSSKD-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894102 781471131 /nfs/dbraw/zinc/47/11/31/781471131.db2.gz FDWJCSMUJXSSKD-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3(C(=O)NC)CC3)C2)C1 ZINC001148430597 781471626 /nfs/dbraw/zinc/47/16/26/781471626.db2.gz QTBJNHNZGZHXAG-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C3(C(=O)NC)CC3)C2)C1 ZINC001148430597 781471633 /nfs/dbraw/zinc/47/16/33/781471633.db2.gz QTBJNHNZGZHXAG-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C1(C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001148436383 781471702 /nfs/dbraw/zinc/47/17/02/781471702.db2.gz WFJBKYOKZXPYLF-NSHDSACASA-N 1 1 320.393 -1.065 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccncn3)C2)C1 ZINC001148462752 781471740 /nfs/dbraw/zinc/47/17/40/781471740.db2.gz PCCNKVWSVQIHLF-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccncn3)C2)C1 ZINC001148462752 781471746 /nfs/dbraw/zinc/47/17/46/781471746.db2.gz PCCNKVWSVQIHLF-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148458068 781472226 /nfs/dbraw/zinc/47/22/26/781472226.db2.gz HLPLXMKJDVTFFK-UHFFFAOYSA-N 1 1 307.314 -1.853 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148458068 781472232 /nfs/dbraw/zinc/47/22/32/781472232.db2.gz HLPLXMKJDVTFFK-UHFFFAOYSA-N 1 1 307.314 -1.853 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001148402177 781472425 /nfs/dbraw/zinc/47/24/25/781472425.db2.gz JWHFSAKXGVYCAM-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1ncc(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)n1 ZINC001148429470 781472605 /nfs/dbraw/zinc/47/26/05/781472605.db2.gz BODYIPYQSAUZCS-UHFFFAOYSA-N 1 1 309.370 -1.028 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001148481047 781474114 /nfs/dbraw/zinc/47/41/14/781474114.db2.gz QBWVZIKLSGOYLZ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001148481047 781474117 /nfs/dbraw/zinc/47/41/17/781474117.db2.gz QBWVZIKLSGOYLZ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NCC[NH2+]Cc2cnn(C)n2)n1 ZINC001148557438 781474822 /nfs/dbraw/zinc/47/48/22/781474822.db2.gz NYBFAGSJZOXIDX-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)NC(=O)Cn3cnnn3)C2)C1 ZINC001148583475 781475332 /nfs/dbraw/zinc/47/53/32/781475332.db2.gz LQBKIADUYAXMHB-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148625534 781475628 /nfs/dbraw/zinc/47/56/28/781475628.db2.gz BYNPKBWXNJUMKE-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148625534 781475632 /nfs/dbraw/zinc/47/56/32/781475632.db2.gz BYNPKBWXNJUMKE-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001148626120 781475892 /nfs/dbraw/zinc/47/58/92/781475892.db2.gz YKUXDVCJOYNJGS-RYUDHWBXSA-N 1 1 311.382 -1.193 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148679166 781476283 /nfs/dbraw/zinc/47/62/83/781476283.db2.gz SDOLLGCOGCTWCJ-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148679166 781476285 /nfs/dbraw/zinc/47/62/85/781476285.db2.gz SDOLLGCOGCTWCJ-SNVBAGLBSA-N 1 1 311.386 -1.157 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148720375 781476322 /nfs/dbraw/zinc/47/63/22/781476322.db2.gz BZHQGHRSRAFQMQ-UHFFFAOYSA-N 1 1 321.385 -1.092 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148720375 781476326 /nfs/dbraw/zinc/47/63/26/781476326.db2.gz BZHQGHRSRAFQMQ-UHFFFAOYSA-N 1 1 321.385 -1.092 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)N(C)C)C2)C1 ZINC001148691345 781476406 /nfs/dbraw/zinc/47/64/06/781476406.db2.gz VYGUXQOPOBNEIY-LLVKDONJSA-N 1 1 319.427 -1.207 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)N(C)C)C2)C1 ZINC001148691346 781476467 /nfs/dbraw/zinc/47/64/67/781476467.db2.gz VYGUXQOPOBNEIY-NSHDSACASA-N 1 1 319.427 -1.207 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001148784885 781477252 /nfs/dbraw/zinc/47/72/52/781477252.db2.gz ZJWKNTHVZNJOOT-UHFFFAOYSA-N 1 1 305.400 -1.548 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001148783180 781477442 /nfs/dbraw/zinc/47/74/42/781477442.db2.gz BLFNGUQMEUXOQK-SNVBAGLBSA-N 1 1 305.400 -1.549 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148784099 781477748 /nfs/dbraw/zinc/47/77/48/781477748.db2.gz PWTSUHRDSLHTOE-UHFFFAOYSA-N 1 1 304.372 -2.445 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148784099 781477752 /nfs/dbraw/zinc/47/77/52/781477752.db2.gz PWTSUHRDSLHTOE-UHFFFAOYSA-N 1 1 304.372 -2.445 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CC(=O)NC(N)=O)C3)C1 ZINC001148748897 781477962 /nfs/dbraw/zinc/47/79/62/781477962.db2.gz ZTXUGJMRFRKFHD-LLVKDONJSA-N 1 1 323.397 -1.333 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148726547 781478310 /nfs/dbraw/zinc/47/83/10/781478310.db2.gz OKBVEFDGCFFTAY-UHFFFAOYSA-N 1 1 311.386 -1.333 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001148726455 781478473 /nfs/dbraw/zinc/47/84/73/781478473.db2.gz JAYIKWFPWFPLAO-JTQLQIEISA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001148726493 781479249 /nfs/dbraw/zinc/47/92/49/781479249.db2.gz LPTFXCXIGVMYPK-LLVKDONJSA-N 1 1 323.397 -1.142 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCOCCO)CC1)[C@H]1CNC(=O)N1 ZINC001273446387 781479692 /nfs/dbraw/zinc/47/96/92/781479692.db2.gz QOQNANZUOBRMBW-NWDGAFQWSA-N 1 1 314.386 -1.353 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCCO1 ZINC001149013101 781480544 /nfs/dbraw/zinc/48/05/44/781480544.db2.gz FJFWDGXTDDRYDR-LLVKDONJSA-N 1 1 323.415 -1.611 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCCO1 ZINC001149013101 781480551 /nfs/dbraw/zinc/48/05/51/781480551.db2.gz FJFWDGXTDDRYDR-LLVKDONJSA-N 1 1 323.415 -1.611 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149481162 781480562 /nfs/dbraw/zinc/48/05/62/781480562.db2.gz ILISYMNUSIPGKF-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149481162 781480564 /nfs/dbraw/zinc/48/05/64/781480564.db2.gz ILISYMNUSIPGKF-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148950002 781480770 /nfs/dbraw/zinc/48/07/70/781480770.db2.gz GCVRASXIPNHTDD-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO COCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148950002 781480771 /nfs/dbraw/zinc/48/07/71/781480771.db2.gz GCVRASXIPNHTDD-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149489312 781481265 /nfs/dbraw/zinc/48/12/65/781481265.db2.gz ILBSQNZMPUEJOR-ZJUUUORDSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149489312 781481277 /nfs/dbraw/zinc/48/12/77/781481277.db2.gz ILBSQNZMPUEJOR-ZJUUUORDSA-N 1 1 300.359 -1.667 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001099899315 781484612 /nfs/dbraw/zinc/48/46/12/781484612.db2.gz QOEKQZJLGJACPH-QWRGUYRKSA-N 1 1 300.403 -1.247 20 0 DAADMO CCO[C@@H]1CN(C(=O)COC)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087014003 781484819 /nfs/dbraw/zinc/48/48/19/781484819.db2.gz WMFBVTKXQDLPAS-GHMZBOCLSA-N 1 1 312.374 -1.190 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087078029 781484841 /nfs/dbraw/zinc/48/48/41/781484841.db2.gz BAZSVOJTCCZSAX-PSASIEDQSA-N 1 1 313.383 -1.024 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087078473 781485125 /nfs/dbraw/zinc/48/51/25/781485125.db2.gz ZLNOZESVGPKWBJ-NXEZZACHSA-N 1 1 311.342 -1.184 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)NC1=O ZINC001091917029 781486433 /nfs/dbraw/zinc/48/64/33/781486433.db2.gz QODNDDCUPQMJKM-RULNRJAQSA-N 1 1 309.370 -1.724 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)O1 ZINC001091782918 781486679 /nfs/dbraw/zinc/48/66/79/781486679.db2.gz LUBQORACSBZIPD-JXFSHQFZSA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929281 781486892 /nfs/dbraw/zinc/48/68/92/781486892.db2.gz GMFMIIMKKPRWCR-RBZYPMLTSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@]12CN(C(=O)CN3CCCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091817079 781487125 /nfs/dbraw/zinc/48/71/25/781487125.db2.gz JFJXYGMJKITQQR-ABAIWWIYSA-N 1 1 323.397 -1.333 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091809593 781487274 /nfs/dbraw/zinc/48/72/74/781487274.db2.gz MITDCZSWSRTYBQ-HFAKWTLXSA-N 1 1 308.382 -1.222 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091801112 781487392 /nfs/dbraw/zinc/48/73/92/781487392.db2.gz BNAXYVOGNKYZOY-IOASZLSFSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001091970706 781488663 /nfs/dbraw/zinc/48/86/63/781488663.db2.gz ZLBXSTIIEOKVEM-NUPCCRGMSA-N 1 1 308.338 -1.943 20 0 DAADMO C[C@]12CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092093379 781489179 /nfs/dbraw/zinc/48/91/79/781489179.db2.gz SPRLFBSFGPCLSA-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@]2(C)C1 ZINC001091960018 781489736 /nfs/dbraw/zinc/48/97/36/781489736.db2.gz KKYVLMOVGCQCHA-BMIGLBTASA-N 1 1 319.365 -1.090 20 0 DAADMO C[C@]12CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092177676 781494438 /nfs/dbraw/zinc/49/44/38/781494438.db2.gz HYPKFVVTTKYWKE-ABAIWWIYSA-N 1 1 324.381 -1.299 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092330976 781496071 /nfs/dbraw/zinc/49/60/71/781496071.db2.gz RCYMQWWEUFBZKI-WMFXKJRFSA-N 1 1 322.365 -1.695 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092324187 781496194 /nfs/dbraw/zinc/49/61/94/781496194.db2.gz LCYZPLUYTXUWTM-ZETOZRRWSA-N 1 1 323.397 -1.205 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1=O ZINC001092260129 781496281 /nfs/dbraw/zinc/49/62/81/781496281.db2.gz MKQKOCRWUPVGEX-ABAIWWIYSA-N 1 1 324.381 -1.347 20 0 DAADMO Cn1nc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)ccc1=O ZINC001092253508 781496365 /nfs/dbraw/zinc/49/63/65/781496365.db2.gz JWDRYXSLJPOXHE-BMIGLBTASA-N 1 1 319.365 -1.341 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1COCCO1 ZINC001092353515 781496393 /nfs/dbraw/zinc/49/63/93/781496393.db2.gz XYWAKSSIORVIHF-NWDGAFQWSA-N 1 1 322.365 -1.137 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CCC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092262205 781496891 /nfs/dbraw/zinc/49/68/91/781496891.db2.gz NJCGYSTYEIJCSB-BMIGLBTASA-N 1 1 322.365 -1.599 20 0 DAADMO C[C@]12CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092260626 781497005 /nfs/dbraw/zinc/49/70/05/781497005.db2.gz YKDYCTPOMBCHIJ-ZETOZRRWSA-N 1 1 324.381 -1.253 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092366977 781497564 /nfs/dbraw/zinc/49/75/64/781497564.db2.gz YZMMZYAKIWDOJV-SNVBAGLBSA-N 1 1 317.353 -1.110 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC3(C[NH+](CCO)C3)n3ccnc32)nn1 ZINC001092369310 781497733 /nfs/dbraw/zinc/49/77/33/781497733.db2.gz YDGMXCXAAKKJRH-JTQLQIEISA-N 1 1 317.353 -1.110 20 0 DAADMO COC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001092392349 781497753 /nfs/dbraw/zinc/49/77/53/781497753.db2.gz FGPUUSAFPPGBIB-UWVGGRQHSA-N 1 1 307.354 -1.025 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CNC(=O)N1 ZINC001092390884 781498037 /nfs/dbraw/zinc/49/80/37/781498037.db2.gz IIXDDQZWZARFKK-VHSXEESVSA-N 1 1 320.353 -1.871 20 0 DAADMO CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001092393423 781498233 /nfs/dbraw/zinc/49/82/33/781498233.db2.gz IHAOYKWWHIRUGA-NXEZZACHSA-N 1 1 307.354 -1.025 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC3(C[NH+](CCO)C3)n3ccnc32)nn1 ZINC001092369311 781498446 /nfs/dbraw/zinc/49/84/46/781498446.db2.gz YDGMXCXAAKKJRH-SNVBAGLBSA-N 1 1 317.353 -1.110 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092392300 781498550 /nfs/dbraw/zinc/49/85/50/781498550.db2.gz FNUGXPMTCMAIMZ-OUAUKWLOSA-N 1 1 319.365 -1.431 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092387292 781498831 /nfs/dbraw/zinc/49/88/31/781498831.db2.gz UTXFGGLUULGLAC-SECBINFHSA-N 1 1 318.341 -1.715 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC001092654338 781500342 /nfs/dbraw/zinc/50/03/42/781500342.db2.gz QYTCPCGKHAUYJT-GRYCIOLGSA-N 1 1 310.398 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC001092759308 781501035 /nfs/dbraw/zinc/50/10/35/781501035.db2.gz SBMDCDFRKHFHJI-IJLUTSLNSA-N 1 1 310.398 -1.057 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCNC2=O)[C@H](C)C1 ZINC001092699385 781501077 /nfs/dbraw/zinc/50/10/77/781501077.db2.gz JGRWNFTXXBTTSN-UTUOFQBUSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893438 781501918 /nfs/dbraw/zinc/50/19/18/781501918.db2.gz SHFUBGWFVCQCPH-GMTAPVOTSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092927779 781502022 /nfs/dbraw/zinc/50/20/22/781502022.db2.gz BARRXNUHFBSFBO-IJLUTSLNSA-N 1 1 323.397 -1.416 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)[C@H](C)C1 ZINC001092848379 781502217 /nfs/dbraw/zinc/50/22/17/781502217.db2.gz ZRZYMNXCXHOYJJ-MXWKQRLJSA-N 1 1 317.411 -1.396 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893641 781502440 /nfs/dbraw/zinc/50/24/40/781502440.db2.gz XJDHBSLSQOMSDJ-BBBLOLIVSA-N 1 1 307.358 -1.604 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC001092841398 781502592 /nfs/dbraw/zinc/50/25/92/781502592.db2.gz MDMRKXDDGYOVIF-GMTAPVOTSA-N 1 1 321.381 -1.048 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001092882045 781502691 /nfs/dbraw/zinc/50/26/91/781502691.db2.gz HJOWYVKIZZBIPC-MWLCHTKSSA-N 1 1 317.353 -1.093 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001093064504 781504969 /nfs/dbraw/zinc/50/49/69/781504969.db2.gz MIDOAWKDFIKPAZ-BBBLOLIVSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001093064504 781504974 /nfs/dbraw/zinc/50/49/74/781504974.db2.gz MIDOAWKDFIKPAZ-BBBLOLIVSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC001093064504 781504982 /nfs/dbraw/zinc/50/49/82/781504982.db2.gz MIDOAWKDFIKPAZ-BBBLOLIVSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064504 781504989 /nfs/dbraw/zinc/50/49/89/781504989.db2.gz MIDOAWKDFIKPAZ-BBBLOLIVSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC001093064504 781504992 /nfs/dbraw/zinc/50/49/92/781504992.db2.gz MIDOAWKDFIKPAZ-BBBLOLIVSA-N 1 1 320.353 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001093011886 781505519 /nfs/dbraw/zinc/50/55/19/781505519.db2.gz QHNZNXJHHRJKLE-MXWKQRLJSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928768 781505549 /nfs/dbraw/zinc/50/55/49/781505549.db2.gz POVSRXUJTNKPOU-KKZNHRDASA-N 1 1 308.342 -1.065 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928768 781505553 /nfs/dbraw/zinc/50/55/53/781505553.db2.gz POVSRXUJTNKPOU-KKZNHRDASA-N 1 1 308.342 -1.065 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001092969047 781505732 /nfs/dbraw/zinc/50/57/32/781505732.db2.gz GHFAXBXHNVCYJT-RKDXNWHRSA-N 1 1 307.354 -1.103 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203395 781506780 /nfs/dbraw/zinc/50/67/80/781506780.db2.gz OOEBGIQACMPWAA-BBBLOLIVSA-N 1 1 318.399 -2.153 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001093190611 781507030 /nfs/dbraw/zinc/50/70/30/781507030.db2.gz DXMXXRDMGHNZNB-RKDXNWHRSA-N 1 1 323.353 -1.731 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001093224323 781507971 /nfs/dbraw/zinc/50/79/71/781507971.db2.gz QIFQQKYBSSESIQ-RKDXNWHRSA-N 1 1 323.357 -2.454 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001098351697 781508085 /nfs/dbraw/zinc/50/80/85/781508085.db2.gz SNRLMXTVJDBSMD-QWRGUYRKSA-N 1 1 316.402 -1.291 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC001093233278 781509495 /nfs/dbraw/zinc/50/94/95/781509495.db2.gz JITRMURUIXQZDX-GMTAPVOTSA-N 1 1 323.397 -1.105 20 0 DAADMO Cn1ncc(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)c1N ZINC001098351956 781509521 /nfs/dbraw/zinc/50/95/21/781509521.db2.gz XKWCKXROEFYKFK-UHFFFAOYSA-N 1 1 324.385 -1.614 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098351893 781509536 /nfs/dbraw/zinc/50/95/36/781509536.db2.gz XAXKSOUQPBBSNE-NSHDSACASA-N 1 1 316.402 -1.289 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001093245230 781509832 /nfs/dbraw/zinc/50/98/32/781509832.db2.gz RCYPYSIQFMTAIY-MWLCHTKSSA-N 1 1 319.365 -1.037 20 0 DAADMO O=C(Cn1cnnn1)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001093506002 781512483 /nfs/dbraw/zinc/51/24/83/781512483.db2.gz URBKZZLKPWBBFD-UHFFFAOYSA-N 1 1 324.385 -1.253 20 0 DAADMO NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)C(N)=O)CC1 ZINC001093488399 781512855 /nfs/dbraw/zinc/51/28/55/781512855.db2.gz OYLYFQLLCIKYOD-TXEJJXNPSA-N 1 1 323.397 -1.903 20 0 DAADMO C[C@H](O)C[NH+]1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001093506037 781513174 /nfs/dbraw/zinc/51/31/74/781513174.db2.gz VCNPSANJENNSMQ-NSHDSACASA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093543553 781514270 /nfs/dbraw/zinc/51/42/70/781514270.db2.gz HCNPGXWEEXCVKD-VIFPVBQESA-N 1 1 306.330 -1.622 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093543553 781514278 /nfs/dbraw/zinc/51/42/78/781514278.db2.gz HCNPGXWEEXCVKD-VIFPVBQESA-N 1 1 306.330 -1.622 20 0 DAADMO C[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001093561439 781517609 /nfs/dbraw/zinc/51/76/09/781517609.db2.gz OIPPQDWLCBCHFA-SNVBAGLBSA-N 1 1 324.385 -1.104 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093747709 781519760 /nfs/dbraw/zinc/51/97/60/781519760.db2.gz BOMJDSCZZOPUAW-OPRDCNLKSA-N 1 1 323.357 -1.497 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093964366 781525045 /nfs/dbraw/zinc/52/50/45/781525045.db2.gz UPCAHAGLLQTGGB-MXWKQRLJSA-N 1 1 321.385 -1.470 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094278916 781535672 /nfs/dbraw/zinc/53/56/72/781535672.db2.gz RFIHYNVDMJPKGH-LBPRGKRZSA-N 1 1 321.385 -1.670 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3)nn2)C1 ZINC001094281013 781536956 /nfs/dbraw/zinc/53/69/56/781536956.db2.gz GHRXNJJZKRCGOY-JOYOIKCWSA-N 1 1 322.369 -1.590 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001094309906 781537721 /nfs/dbraw/zinc/53/77/21/781537721.db2.gz WSZVRBQBQAHSKF-BXKDBHETSA-N 1 1 322.369 -1.732 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CN(C)C(=O)N3)nn2)C1 ZINC001094311261 781538152 /nfs/dbraw/zinc/53/81/52/781538152.db2.gz TXPVYSKSUYOEEY-LLVKDONJSA-N 1 1 307.358 -1.206 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001094310430 781538392 /nfs/dbraw/zinc/53/83/92/781538392.db2.gz JYKVARFOXGFBME-QMMMGPOBSA-N 1 1 321.345 -2.031 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001094309909 781538575 /nfs/dbraw/zinc/53/85/75/781538575.db2.gz WSZVRBQBQAHSKF-SKDRFNHKSA-N 1 1 322.369 -1.732 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001094315909 781539762 /nfs/dbraw/zinc/53/97/62/781539762.db2.gz COOUGYFWDLPWEH-SMDDNHRTSA-N 1 1 322.413 -1.059 20 0 DAADMO Cn1cnc(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)n1 ZINC001094288240 781540102 /nfs/dbraw/zinc/54/01/02/781540102.db2.gz KMVOIBBTPUAYOE-UHFFFAOYSA-N 1 1 320.357 -1.424 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC001094287164 781540249 /nfs/dbraw/zinc/54/02/49/781540249.db2.gz DUFVRTRFJCRDIU-KCJUWKMLSA-N 1 1 324.341 -1.760 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)C3CS(=O)(=O)C3)nn2)C1 ZINC001094293003 781541501 /nfs/dbraw/zinc/54/15/01/781541501.db2.gz RNVWSXDWJUCZNH-UHFFFAOYSA-N 1 1 313.383 -1.185 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001094326286 781541851 /nfs/dbraw/zinc/54/18/51/781541851.db2.gz CFCKOPBUYPIVFW-SECBINFHSA-N 1 1 320.357 -1.426 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNc2nccn3nnnc23)C1 ZINC001094349242 781542486 /nfs/dbraw/zinc/54/24/86/781542486.db2.gz NCURJOUZWIRVOW-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNc2nccn3nnnc23)C1 ZINC001094349242 781542496 /nfs/dbraw/zinc/54/24/96/781542496.db2.gz NCURJOUZWIRVOW-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNc2ccc3nnnn3n2)C1 ZINC001094349052 781542886 /nfs/dbraw/zinc/54/28/86/781542886.db2.gz FDEVFXHQEDRBSY-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNc2ccc3nnnn3n2)C1 ZINC001094349052 781542895 /nfs/dbraw/zinc/54/28/95/781542895.db2.gz FDEVFXHQEDRBSY-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1csnn1 ZINC001099934899 781543428 /nfs/dbraw/zinc/54/34/28/781543428.db2.gz FQNXXNXOPUFRMB-GXSJLCMTSA-N 1 1 316.383 -1.288 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@@H]1CCC(=O)N1 ZINC001094335813 781543691 /nfs/dbraw/zinc/54/36/91/781543691.db2.gz OTWBDOWEJACEKS-LBPRGKRZSA-N 1 1 322.369 -1.588 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001094501192 781544816 /nfs/dbraw/zinc/54/48/16/781544816.db2.gz IJYKRNBDUGWLTD-UEKVPHQBSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccn[nH]3)CC2=O)C1 ZINC001094709900 781550956 /nfs/dbraw/zinc/55/09/56/781550956.db2.gz PMJIQPWEXFIOKR-NXEZZACHSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094714511 781552608 /nfs/dbraw/zinc/55/26/08/781552608.db2.gz XVDHJPHAGYPVJS-YPMHNXCESA-N 1 1 310.398 -1.526 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094714375 781552712 /nfs/dbraw/zinc/55/27/12/781552712.db2.gz VWSFGKAVFDUWSS-JQWIXIFHSA-N 1 1 323.397 -2.033 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 ZINC001094713843 781552779 /nfs/dbraw/zinc/55/27/79/781552779.db2.gz JVOITRADMBXGNL-TZMCWYRMSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)c1 ZINC001094721832 781554065 /nfs/dbraw/zinc/55/40/65/781554065.db2.gz LVHWZUVBQKKBIN-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)c1 ZINC001094721833 781554220 /nfs/dbraw/zinc/55/42/20/781554220.db2.gz LVHWZUVBQKKBIN-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CCOCC3)CC2=O)C1 ZINC001094721608 781554760 /nfs/dbraw/zinc/55/47/60/781554760.db2.gz HBIFLLUCTDSCAD-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCNC(=O)C3)CC2=O)C1 ZINC001094720669 781554872 /nfs/dbraw/zinc/55/48/72/781554872.db2.gz OSNGQYSQRQOQKS-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001094690509 781555756 /nfs/dbraw/zinc/55/57/56/781555756.db2.gz UZNIHEYYYSYUKM-TZMCWYRMSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCCO1 ZINC001094700057 781557635 /nfs/dbraw/zinc/55/76/35/781557635.db2.gz BYWAAXOIYZPFBV-AAEUAGOBSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCCO1 ZINC001094700058 781557997 /nfs/dbraw/zinc/55/79/97/781557997.db2.gz BYWAAXOIYZPFBV-DGCLKSJQSA-N 1 1 311.382 -1.051 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)cn1 ZINC001094704616 781558392 /nfs/dbraw/zinc/55/83/92/781558392.db2.gz XMLQKLXFHZKQCS-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094706128 781559156 /nfs/dbraw/zinc/55/91/56/781559156.db2.gz WSMHMQGUJYHILJ-RYUDHWBXSA-N 1 1 321.381 -1.335 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)c(=O)cn3)CC2=O)C1 ZINC001094760126 781560572 /nfs/dbraw/zinc/56/05/72/781560572.db2.gz DVMZHOUKQYKWIE-JTQLQIEISA-N 1 1 319.365 -1.185 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)c(=O)cn3)CC2=O)C1 ZINC001094760127 781560657 /nfs/dbraw/zinc/56/06/57/781560657.db2.gz DVMZHOUKQYKWIE-SNVBAGLBSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cncnc3)CC2=O)C1 ZINC001094726013 781560979 /nfs/dbraw/zinc/56/09/79/781560979.db2.gz CJQNXHFPCTYQDH-CMPLNLGQSA-N 1 1 319.365 -1.128 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094727885 781561424 /nfs/dbraw/zinc/56/14/24/781561424.db2.gz QJECKDFNQNNDLU-SNVBAGLBSA-N 1 1 322.369 -1.207 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 ZINC001094730037 781562202 /nfs/dbraw/zinc/56/22/02/781562202.db2.gz QBOMZKSQRIWARD-MWLCHTKSSA-N 1 1 310.354 -1.096 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncc[nH]3)CC2=O)C1 ZINC001094733875 781563393 /nfs/dbraw/zinc/56/33/93/781563393.db2.gz OUWGUUNXYORHGZ-NXEZZACHSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734414 781563813 /nfs/dbraw/zinc/56/38/13/781563813.db2.gz YERLLYXUMIYTSU-VHSXEESVSA-N 1 1 322.369 -1.789 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736292 781564632 /nfs/dbraw/zinc/56/46/32/781564632.db2.gz HSPMRXYIBYWJGV-JTQLQIEISA-N 1 1 307.358 -1.517 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735495 781565215 /nfs/dbraw/zinc/56/52/15/781565215.db2.gz PRQUWFSLOZJEMQ-VHSXEESVSA-N 1 1 322.369 -1.789 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094741327 781565830 /nfs/dbraw/zinc/56/58/30/781565830.db2.gz BTUYFXKINHTLRZ-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)CC2=O)C1 ZINC001094746147 781566379 /nfs/dbraw/zinc/56/63/79/781566379.db2.gz SHEZAJWOZTWSCL-WPRPVWTQSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742564 781566481 /nfs/dbraw/zinc/56/64/81/781566481.db2.gz QXHJCXMNZMFAND-QWRGUYRKSA-N 1 1 322.369 -1.940 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)CC2=O)C1 ZINC001094798333 781568930 /nfs/dbraw/zinc/56/89/30/781568930.db2.gz WIDDFZPOQSCHRN-SECBINFHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094799857 781569468 /nfs/dbraw/zinc/56/94/68/781569468.db2.gz RYLNUDMARLATEP-DTWKUNHWSA-N 1 1 309.326 -1.535 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)Cn3ncn(C)c3=O)CC2=O)C1 ZINC001094756670 781569512 /nfs/dbraw/zinc/56/95/12/781569512.db2.gz LJXAHDUXQWPICC-SNVBAGLBSA-N 1 1 322.369 -1.997 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094766641 781569770 /nfs/dbraw/zinc/56/97/70/781569770.db2.gz MMHUBZZVJBFMMQ-ZUZCIYMTSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768200 781570897 /nfs/dbraw/zinc/57/08/97/781570897.db2.gz QRXSGJYTPKRFPU-MWLCHTKSSA-N 1 1 309.370 -1.569 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 ZINC001094771348 781570981 /nfs/dbraw/zinc/57/09/81/781570981.db2.gz JHBARHYLIVOGCY-JQWIXIFHSA-N 1 1 308.382 -1.068 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001094771619 781571038 /nfs/dbraw/zinc/57/10/38/781571038.db2.gz LJHUQAJGXOJBRC-SCZZXKLOSA-N 1 1 322.369 -1.491 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768397 781571095 /nfs/dbraw/zinc/57/10/95/781571095.db2.gz SWIMDRSHOAETMR-CMPLNLGQSA-N 1 1 323.397 -1.180 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094771621 781571234 /nfs/dbraw/zinc/57/12/34/781571234.db2.gz LJHUQAJGXOJBRC-WPRPVWTQSA-N 1 1 322.369 -1.491 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CCNC(=O)C3)CC2=O)C1 ZINC001094768159 781571395 /nfs/dbraw/zinc/57/13/95/781571395.db2.gz QDVQYEVGVWDVGP-LLVKDONJSA-N 1 1 323.397 -2.161 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 ZINC001094771905 781571973 /nfs/dbraw/zinc/57/19/73/781571973.db2.gz NIYCMTOTWGDAGL-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2=O)C1 ZINC001094776802 781572229 /nfs/dbraw/zinc/57/22/29/781572229.db2.gz GPNTYSZKVUXLHR-GXSJLCMTSA-N 1 1 309.370 -1.523 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094772342 781572505 /nfs/dbraw/zinc/57/25/05/781572505.db2.gz RHAXNTWZSSPOOA-DPXGPQMFSA-N 1 1 323.393 -1.339 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094771903 781572697 /nfs/dbraw/zinc/57/26/97/781572697.db2.gz NIYCMTOTWGDAGL-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094774693 781572943 /nfs/dbraw/zinc/57/29/43/781572943.db2.gz ORAHZQUAJSYKEX-VIFPVBQESA-N 1 1 307.358 -1.367 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094772553 781572980 /nfs/dbraw/zinc/57/29/80/781572980.db2.gz XJMOVFQFSFTXIU-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094774179 781573029 /nfs/dbraw/zinc/57/30/29/781573029.db2.gz JJNIUFMXVPZEKL-VIFPVBQESA-N 1 1 323.357 -2.393 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2=O)C1 ZINC001094782996 781576347 /nfs/dbraw/zinc/57/63/47/781576347.db2.gz IZINUMROCNXVEW-ZMLRMANQSA-N 1 1 324.381 -1.560 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 ZINC001094786125 781576454 /nfs/dbraw/zinc/57/64/54/781576454.db2.gz RWKCCZIFHVOJRD-JLLWLGSASA-N 1 1 308.382 -1.081 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783595 781577048 /nfs/dbraw/zinc/57/70/48/781577048.db2.gz SONVERJPOLZQLG-BONVTDFDSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccnnc1 ZINC001094787703 781578057 /nfs/dbraw/zinc/57/80/57/781578057.db2.gz DIIKOHGABRKGNE-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094789146 781578085 /nfs/dbraw/zinc/57/80/85/781578085.db2.gz WMCLNOHXWQEGGE-PWSUYJOCSA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3c[nH]cn3)CC2=O)C1 ZINC001094794706 781578339 /nfs/dbraw/zinc/57/83/39/781578339.db2.gz ZVTNAPAEPHPNJY-JQWIXIFHSA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3c[nH]cn3)CC2=O)C1 ZINC001094794711 781579137 /nfs/dbraw/zinc/57/91/37/781579137.db2.gz ZVTNAPAEPHPNJY-ZYHUDNBSSA-N 1 1 321.381 -1.266 20 0 DAADMO COCCN1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094814805 781579756 /nfs/dbraw/zinc/57/97/56/781579756.db2.gz JFVWLQSUTHXBAF-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cncn3)CC2=O)C1 ZINC001094813895 781580205 /nfs/dbraw/zinc/58/02/05/781580205.db2.gz UROUISNFPJICPN-QWRGUYRKSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094815325 781580364 /nfs/dbraw/zinc/58/03/64/781580364.db2.gz RBJPWGZUTSFTAB-QWHCGFSZSA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CC(N)=O)C3)C2)C1 ZINC001094814163 781580787 /nfs/dbraw/zinc/58/07/87/781580787.db2.gz AHROSEYRQQQJBQ-WDEREUQCSA-N 1 1 323.397 -2.175 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ncccn1 ZINC001094803144 781581638 /nfs/dbraw/zinc/58/16/38/781581638.db2.gz HLIMPQYGDIDQPY-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094804298 781582343 /nfs/dbraw/zinc/58/23/43/781582343.db2.gz UVQNAZMTSCWUBG-MNOVXSKESA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cccnn3)CC2=O)C1 ZINC001094803193 781582700 /nfs/dbraw/zinc/58/27/00/781582700.db2.gz IXTZURYHUOEVQZ-WDEREUQCSA-N 1 1 319.365 -1.128 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094820178 781583480 /nfs/dbraw/zinc/58/34/80/781583480.db2.gz FUBWMFKVKDYUCC-SNVBAGLBSA-N 1 1 323.353 -1.225 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H](C)O)C2)C1 ZINC001094821905 781584340 /nfs/dbraw/zinc/58/43/40/781584340.db2.gz XUUSRRPYTONWAM-WCBMZHEXSA-N 1 1 323.353 -1.226 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936817 781585731 /nfs/dbraw/zinc/58/57/31/781585731.db2.gz FBRVYMGLBWKLBX-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)CC1=O ZINC001171699462 781586729 /nfs/dbraw/zinc/58/67/29/781586729.db2.gz RWTIHKRRUDMRPZ-SFYZADRCSA-N 1 1 314.342 -1.159 20 0 DAADMO COc1cccc2c1C[C@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)CO2 ZINC001173163939 781592945 /nfs/dbraw/zinc/59/29/45/781592945.db2.gz ZHQMIGRVCHJEHH-WHLNNUNGSA-N 1 1 305.382 -1.009 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095158449 781594165 /nfs/dbraw/zinc/59/41/65/781594165.db2.gz SHFDMEJIOKOWEU-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095158449 781594167 /nfs/dbraw/zinc/59/41/67/781594167.db2.gz SHFDMEJIOKOWEU-NOOOWODRSA-N 1 1 319.369 -1.327 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157046 781594193 /nfs/dbraw/zinc/59/41/93/781594193.db2.gz WDUZWLXZEFWDGE-YTWAJWBKSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157046 781594197 /nfs/dbraw/zinc/59/41/97/781594197.db2.gz WDUZWLXZEFWDGE-YTWAJWBKSA-N 1 1 307.358 -1.342 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098359298 781597241 /nfs/dbraw/zinc/59/72/41/781597241.db2.gz NLQNOGLZNMLDPL-GFCCVEGCSA-N 1 1 315.370 -1.238 20 0 DAADMO CC1(C)COc2cnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc21 ZINC001174985486 781603340 /nfs/dbraw/zinc/60/33/40/781603340.db2.gz CHICFMHCJHMUBP-RWMBFGLXSA-N 1 1 318.381 -1.116 20 0 DAADMO COc1cccc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001175357610 781605272 /nfs/dbraw/zinc/60/52/72/781605272.db2.gz INNHHLNIVRKIMY-MELADBBJSA-N 1 1 306.370 -1.458 20 0 DAADMO COc1cccnc1CCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001175513348 781606170 /nfs/dbraw/zinc/60/61/70/781606170.db2.gz XPHQOYOZNKYYSE-MELADBBJSA-N 1 1 306.370 -1.458 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001175549400 781606386 /nfs/dbraw/zinc/60/63/86/781606386.db2.gz KRBIDHNDDLLFLK-UHFFFAOYSA-N 1 1 324.341 -1.220 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CC[C@H]2NC(=O)NC2=O)o1 ZINC001175574852 781608836 /nfs/dbraw/zinc/60/88/36/781608836.db2.gz DNPJRVYNPHJZEM-SECBINFHSA-N 1 1 324.341 -1.038 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001175575531 781608924 /nfs/dbraw/zinc/60/89/24/781608924.db2.gz QZMMAPXFCPGAFL-SECBINFHSA-N 1 1 324.341 -1.038 20 0 DAADMO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)CN1CCOCC1)C(N)=O ZINC001176162801 781613582 /nfs/dbraw/zinc/61/35/82/781613582.db2.gz ZYLVMBZMCYVENW-NWDGAFQWSA-N 1 1 300.403 -1.076 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001176162804 781614095 /nfs/dbraw/zinc/61/40/95/781614095.db2.gz ZYLVMBZMCYVENW-RYUDHWBXSA-N 1 1 300.403 -1.076 20 0 DAADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001176385386 781617954 /nfs/dbraw/zinc/61/79/54/781617954.db2.gz QCFNHGOUNIMSHJ-LLVKDONJSA-N 1 1 303.326 -1.068 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150578956 781618199 /nfs/dbraw/zinc/61/81/99/781618199.db2.gz HHKGNMXGUWEJMS-QWRGUYRKSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150578956 781618206 /nfs/dbraw/zinc/61/82/06/781618206.db2.gz HHKGNMXGUWEJMS-QWRGUYRKSA-N 1 1 322.369 -1.557 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001150619609 781622113 /nfs/dbraw/zinc/62/21/13/781622113.db2.gz CEQKEZDIYLTAIK-CYBMUJFWSA-N 1 1 324.381 -1.249 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)Cc1nn[nH]n1)CC2 ZINC001176839859 781624096 /nfs/dbraw/zinc/62/40/96/781624096.db2.gz FNWDJTIRUYIXIE-UHFFFAOYSA-N 1 1 321.385 -1.055 20 0 DAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)Cc1nn[nH]n1)CC2 ZINC001176839859 781624103 /nfs/dbraw/zinc/62/41/03/781624103.db2.gz FNWDJTIRUYIXIE-UHFFFAOYSA-N 1 1 321.385 -1.055 20 0 DAADMO Cc1nnc(SCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)s1 ZINC001176930620 781625259 /nfs/dbraw/zinc/62/52/59/781625259.db2.gz JJDSHXVKDNEAAJ-CIUDSAMLSA-N 1 1 315.428 -1.542 20 0 DAADMO COCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907476 781625801 /nfs/dbraw/zinc/62/58/01/781625801.db2.gz QJRBQLULBNGLCR-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO COCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907476 781625806 /nfs/dbraw/zinc/62/58/06/781625806.db2.gz QJRBQLULBNGLCR-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907703 781625836 /nfs/dbraw/zinc/62/58/36/781625836.db2.gz RNPGZTREDQMAIN-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907703 781625841 /nfs/dbraw/zinc/62/58/41/781625841.db2.gz RNPGZTREDQMAIN-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907192 781626093 /nfs/dbraw/zinc/62/60/93/781626093.db2.gz OMHXJSXRIIVGKL-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907192 781626098 /nfs/dbraw/zinc/62/60/98/781626098.db2.gz OMHXJSXRIIVGKL-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCCC[NH2+]Cc2csnn2)nn1 ZINC001176956116 781627094 /nfs/dbraw/zinc/62/70/94/781627094.db2.gz OFBYBSXTPQRUQX-UHFFFAOYSA-N 1 1 324.370 -1.475 20 0 DAADMO Cc1[nH]c(=S)sc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001177604873 781638098 /nfs/dbraw/zinc/63/80/98/781638098.db2.gz PPAXEJSWNMABFH-UTLUCORTSA-N 1 1 314.440 -1.198 20 0 DAADMO COc1cccc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)n1 ZINC001178053371 781640568 /nfs/dbraw/zinc/64/05/68/781640568.db2.gz JKPFRIZERMLWJD-AGIUHOORSA-N 1 1 318.381 -1.359 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2csc(NC=O)n2)[C@H]2NCN[C@@H]21 ZINC001178038127 781641659 /nfs/dbraw/zinc/64/16/59/781641659.db2.gz QGOUDCPWERVPOR-OPRDCNLKSA-N 1 1 311.371 -2.227 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CN(c3cnccn3)C2)[C@@H]2NCN[C@@H]21 ZINC001178100229 781642499 /nfs/dbraw/zinc/64/24/99/781642499.db2.gz IYOHQAAHSLZNIH-UTUOFQBUSA-N 1 1 304.358 -2.568 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)CNC(N)=O ZINC001178093904 781642633 /nfs/dbraw/zinc/64/26/33/781642633.db2.gz SOZNBOUXVPDHJK-WPRPVWTQSA-N 1 1 322.373 -1.245 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CN(c3cnccn3)C2)[C@H]2NCN[C@@H]21 ZINC001178100226 781642803 /nfs/dbraw/zinc/64/28/03/781642803.db2.gz IYOHQAAHSLZNIH-IJLUTSLNSA-N 1 1 304.358 -2.568 20 0 DAADMO Cc1csc(=O)n1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001150794976 781643709 /nfs/dbraw/zinc/64/37/09/781643709.db2.gz USLBJMHKYBOLNH-UHFFFAOYSA-N 1 1 311.371 -1.352 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001178280960 781644483 /nfs/dbraw/zinc/64/44/83/781644483.db2.gz AQCOYCHGGIVLAJ-XYYAHUGASA-N 1 1 304.387 -1.028 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)Cn2ncnn2)n1 ZINC001178487590 781646266 /nfs/dbraw/zinc/64/62/66/781646266.db2.gz XEWWYUYFKQTBMM-UHFFFAOYSA-N 1 1 322.377 -1.337 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178359715 781646312 /nfs/dbraw/zinc/64/63/12/781646312.db2.gz IMULQJHKUBMMAB-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949212 781653725 /nfs/dbraw/zinc/65/37/25/781653725.db2.gz RGCQEUFAEQBPTJ-WFASDCNBSA-N 1 1 311.382 -1.118 20 0 DAADMO CN1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC[N@@H+](C)CC1 ZINC001178974148 781654296 /nfs/dbraw/zinc/65/42/96/781654296.db2.gz FZMONFAVEDFSOB-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)N1CCN(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001179036204 781655410 /nfs/dbraw/zinc/65/54/10/781655410.db2.gz RNFYASBNAHHHJR-AGIUHOORSA-N 1 1 311.390 -3.330 20 0 DAADMO CC(=O)N1CCN(CC(=O)N[C@@H](CO)Cc2cnc[nH]2)CC1 ZINC001179035470 781655831 /nfs/dbraw/zinc/65/58/31/781655831.db2.gz JVKXVLVVDVYJSA-CYBMUJFWSA-N 1 1 309.370 -1.407 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)c2nnn(C)n2)n1 ZINC001179298224 781657280 /nfs/dbraw/zinc/65/72/80/781657280.db2.gz QLRNVCBKLPEBBM-UHFFFAOYSA-N 1 1 322.377 -1.186 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179285569 781657648 /nfs/dbraw/zinc/65/76/48/781657648.db2.gz ZOPYDFKDEUSEDC-YUMQZZPRSA-N 1 1 309.330 -1.499 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001179458946 781660513 /nfs/dbraw/zinc/66/05/13/781660513.db2.gz XGDMRGKWYOZWTE-UHFFFAOYSA-N 1 1 321.399 -1.859 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CC(=O)N(C)C ZINC001179678879 781662662 /nfs/dbraw/zinc/66/26/62/781662662.db2.gz WSVLLSCSNCFXDT-UWVGGRQHSA-N 1 1 309.374 -1.233 20 0 DAADMO COc1ccc(/C=C/C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1O ZINC001179672421 781663353 /nfs/dbraw/zinc/66/33/53/781663353.db2.gz TZIMAVWOVROXRV-PQVRPNIYSA-N 1 1 319.365 -1.067 20 0 DAADMO COc1cccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1OC ZINC001179970904 781665325 /nfs/dbraw/zinc/66/53/25/781665325.db2.gz KWMZKNQVLDULKL-QEJZJMRPSA-N 1 1 321.381 -1.235 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2nnc3ccccc32)[C@@H]2NCN[C@H]21 ZINC001179998129 781665399 /nfs/dbraw/zinc/66/53/99/781665399.db2.gz KUHJRHPHSWVBOL-MJBXVCDLSA-N 1 1 316.369 -1.660 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CCNC(N)=O ZINC001180096557 781666321 /nfs/dbraw/zinc/66/63/21/781666321.db2.gz UOEHFZKWVOYVRE-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCNC(N)=O ZINC001180096778 781666619 /nfs/dbraw/zinc/66/66/19/781666619.db2.gz ZUBDBGXSLCBUCY-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCn2ncc3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001180065889 781666785 /nfs/dbraw/zinc/66/67/85/781666785.db2.gz RCDRVYUFXYESIT-KFWWJZLASA-N 1 1 315.381 -1.055 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCNC(N)=O ZINC001180096534 781666839 /nfs/dbraw/zinc/66/68/39/781666839.db2.gz SFAPOQXCORANFH-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C)c1nnnn1C ZINC001180101060 781666926 /nfs/dbraw/zinc/66/69/26/781666926.db2.gz LRFPQZQQSVJGEF-UTLUCORTSA-N 1 1 324.389 -1.092 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)[C@H]2NCN[C@@H]21 ZINC001180190882 781667441 /nfs/dbraw/zinc/66/74/41/781667441.db2.gz KGHPTRAMGMVYEF-IGHBBLSQSA-N 1 1 317.349 -1.193 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1nc(N)n[nH]1 ZINC001180251448 781667528 /nfs/dbraw/zinc/66/75/28/781667528.db2.gz LTHRJRYPZUQGKP-QMMMGPOBSA-N 1 1 307.314 -1.057 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3ccccc32)[C@@H]2NCN[C@@H]21 ZINC001180290844 781669418 /nfs/dbraw/zinc/66/94/18/781669418.db2.gz FNBXEVBXQSQPCO-KFWWJZLASA-N 1 1 302.382 -1.432 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc3ccccc3n2)[C@@H]2NCN[C@@H]21 ZINC001180300159 781669624 /nfs/dbraw/zinc/66/96/24/781669624.db2.gz FVDSLWIQHMPXKQ-UPJWGTAASA-N 1 1 302.342 -2.050 20 0 DAADMO Nc1ccc[nH+]c1N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001180384546 781670616 /nfs/dbraw/zinc/67/06/16/781670616.db2.gz QTCJOPJNNNOYQN-UHFFFAOYSA-N 1 1 318.337 -1.136 20 0 DAADMO C[NH+](C)C[C@H]1COCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC001180592526 781673442 /nfs/dbraw/zinc/67/34/42/781673442.db2.gz FTAUEWLFMZZBFV-LBPRGKRZSA-N 1 1 319.427 -1.494 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2NCN[C@H]21 ZINC001180597063 781674240 /nfs/dbraw/zinc/67/42/40/781674240.db2.gz DKSNDQWCXXBSPN-AXFHLTTASA-N 1 1 318.403 -3.764 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001180707710 781675760 /nfs/dbraw/zinc/67/57/60/781675760.db2.gz QACAESIFUHJPIF-LLVKDONJSA-N 1 1 322.369 -1.365 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COCC(F)(F)C(F)F)[C@@H]2NCN[C@@H]21 ZINC001180644580 781676172 /nfs/dbraw/zinc/67/61/72/781676172.db2.gz CVEMDFUSUXNRHF-PRJMDXOYSA-N 1 1 315.271 -1.578 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180761436 781677298 /nfs/dbraw/zinc/67/72/98/781677298.db2.gz ZBGUIFINQNTAAD-WFASDCNBSA-N 1 1 324.381 -1.734 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180761436 781677302 /nfs/dbraw/zinc/67/73/02/781677302.db2.gz ZBGUIFINQNTAAD-WFASDCNBSA-N 1 1 324.381 -1.734 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180761434 781677400 /nfs/dbraw/zinc/67/74/00/781677400.db2.gz ZBGUIFINQNTAAD-IUODEOHRSA-N 1 1 324.381 -1.734 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180761434 781677403 /nfs/dbraw/zinc/67/74/03/781677403.db2.gz ZBGUIFINQNTAAD-IUODEOHRSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCOCCN2C(=O)C=CC2=O)C1 ZINC001180763848 781677472 /nfs/dbraw/zinc/67/74/72/781677472.db2.gz NNEUWLWZPBLZNV-NSHDSACASA-N 1 1 311.338 -1.625 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCOCCN2C(=O)C=CC2=O)C1 ZINC001180763848 781677478 /nfs/dbraw/zinc/67/74/78/781677478.db2.gz NNEUWLWZPBLZNV-NSHDSACASA-N 1 1 311.338 -1.625 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001180764476 781678075 /nfs/dbraw/zinc/67/80/75/781678075.db2.gz YQZMAULDGPGXFZ-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)C1 ZINC001180764476 781678083 /nfs/dbraw/zinc/67/80/83/781678083.db2.gz YQZMAULDGPGXFZ-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC000264605047 781678268 /nfs/dbraw/zinc/67/82/68/781678268.db2.gz YHYAMKDFDFRDOR-LLVKDONJSA-N 1 1 324.385 -1.183 20 0 DAADMO CC(C)C(=O)N1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001180848061 781679332 /nfs/dbraw/zinc/67/93/32/781679332.db2.gz PKQJGSPCQYKKTQ-RWMBFGLXSA-N 1 1 324.429 -1.600 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907701 781680474 /nfs/dbraw/zinc/68/04/74/781680474.db2.gz VZPHHIKRWFTEFM-SECBINFHSA-N 1 1 310.362 -1.558 20 0 DAADMO COCCN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1=O ZINC001180895723 781680891 /nfs/dbraw/zinc/68/08/91/781680891.db2.gz PKTNDCOMKOISAS-NUGNTBJXSA-N 1 1 312.374 -3.000 20 0 DAADMO COC(=O)c1ccccc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181230647 781685472 /nfs/dbraw/zinc/68/54/72/781685472.db2.gz HPLLPMOCKDAWFS-RDBSUJKOSA-N 1 1 319.365 -1.465 20 0 DAADMO CC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001181228746 781686104 /nfs/dbraw/zinc/68/61/04/781686104.db2.gz FTBZRDFJUNSRKO-XUXIUFHCSA-N 1 1 318.381 -1.617 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CC(O)(c3ccccc3)C2)[C@@H]2NCN[C@H]21 ZINC001181661762 781691044 /nfs/dbraw/zinc/69/10/44/781691044.db2.gz HFXFRRVPISZUMZ-JRFBXIJQSA-N 1 1 317.393 -1.197 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001181802030 781692340 /nfs/dbraw/zinc/69/23/40/781692340.db2.gz YRQWWBDUSKGQND-MWLCHTKSSA-N 1 1 322.369 -1.013 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]2NCN[C@H]21 ZINC001181901946 781694241 /nfs/dbraw/zinc/69/42/41/781694241.db2.gz LJMINQMUVQQGGG-RVMXOQNASA-N 1 1 305.338 -1.655 20 0 DAADMO CN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)Oc2ccccc21 ZINC001181970511 781695710 /nfs/dbraw/zinc/69/57/10/781695710.db2.gz NFOHCJKYIXHIHI-ZOBORPQBSA-N 1 1 318.381 -1.597 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001182000328 781695905 /nfs/dbraw/zinc/69/59/05/781695905.db2.gz KIKICGCCGUZKKW-DZXXBYIOSA-N 1 1 318.370 -2.223 20 0 DAADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001181982757 781696453 /nfs/dbraw/zinc/69/64/53/781696453.db2.gz RGQYDUDISZFOAX-KXEMTNKZSA-N 1 1 318.370 -2.367 20 0 DAADMO NC(=O)CC1(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CCCCC1 ZINC001182185483 781700065 /nfs/dbraw/zinc/70/00/65/781700065.db2.gz PDMLWTSDMUXRRV-HZSPNIEDSA-N 1 1 324.429 -1.279 20 0 DAADMO COCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001182198872 781701590 /nfs/dbraw/zinc/70/15/90/781701590.db2.gz KHNZCIHGTSAKJL-ILXRZTDVSA-N 1 1 305.382 -1.105 20 0 DAADMO CCCCOCCOCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182213816 781701776 /nfs/dbraw/zinc/70/17/76/781701776.db2.gz LPZSBWFOMJEFCH-RWMBFGLXSA-N 1 1 301.391 -1.661 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001110269152 781702118 /nfs/dbraw/zinc/70/21/18/781702118.db2.gz UQHWDMILZTZKCT-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001110266821 781702460 /nfs/dbraw/zinc/70/24/60/781702460.db2.gz IEGPLVMMYRYLKC-KXNHARMFSA-N 1 1 310.358 -1.598 20 0 DAADMO CC(=O)O[C@H]1CO[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)S1 ZINC001182207500 781702513 /nfs/dbraw/zinc/70/25/13/781702513.db2.gz HOIXYKBDISXGMQ-DZEUPHNYSA-N 1 1 317.371 -2.516 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110271921 781703875 /nfs/dbraw/zinc/70/38/75/781703875.db2.gz BGDXDZLHYCIXFQ-YTWAJWBKSA-N 1 1 300.359 -1.617 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001182329196 781703897 /nfs/dbraw/zinc/70/38/97/781703897.db2.gz DFUSWISBTOKKML-SECBINFHSA-N 1 1 310.362 -1.780 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110273430 781704458 /nfs/dbraw/zinc/70/44/58/781704458.db2.gz OWUZGMXCGRGBAP-ZNSHCXBVSA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110273430 781704463 /nfs/dbraw/zinc/70/44/63/781704463.db2.gz OWUZGMXCGRGBAP-ZNSHCXBVSA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110273429 781704580 /nfs/dbraw/zinc/70/45/80/781704580.db2.gz OWUZGMXCGRGBAP-CHWFTXMASA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110273429 781704585 /nfs/dbraw/zinc/70/45/85/781704585.db2.gz OWUZGMXCGRGBAP-CHWFTXMASA-N 1 1 309.370 -1.393 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001151160702 781705537 /nfs/dbraw/zinc/70/55/37/781705537.db2.gz XWOXIHAZFOECDP-SNVBAGLBSA-N 1 1 315.374 -2.145 20 0 DAADMO Cc1[nH]c2ncccc2c1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182618899 781710822 /nfs/dbraw/zinc/71/08/22/781710822.db2.gz GLLAFSPOEYEFIE-IPYPFGDCSA-N 1 1 315.381 -1.067 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3c(c2)OCC3)[C@H]2NCN[C@@H]21 ZINC001182652982 781711117 /nfs/dbraw/zinc/71/11/17/781711117.db2.gz KCEGELZGKDRDML-RBSFLKMASA-N 1 1 303.366 -1.317 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C23CCC(CO)(CC2)CC3)[C@@H]2NCN[C@@H]21 ZINC001182709809 781711846 /nfs/dbraw/zinc/71/18/46/781711846.db2.gz SXBKXUSSMBUMEQ-YGJURIOFSA-N 1 1 309.414 -1.162 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2cn3cccnc3n2)[C@H]2NCN[C@@H]21 ZINC001182761920 781712531 /nfs/dbraw/zinc/71/25/31/781712531.db2.gz ILUHZXHCVJCGPW-IJLUTSLNSA-N 1 1 302.342 -2.209 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001182803054 781712712 /nfs/dbraw/zinc/71/27/12/781712712.db2.gz RMFZMPNBZYGXHN-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)S(C)(=O)=O ZINC001182999152 781716520 /nfs/dbraw/zinc/71/65/20/781716520.db2.gz MCUOTASRADTNMG-SECBINFHSA-N 1 1 317.371 -1.349 20 0 DAADMO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1)C(=O)C1CC1 ZINC001182999177 781716900 /nfs/dbraw/zinc/71/69/00/781716900.db2.gz MOEDEJCGVAXZHL-LLVKDONJSA-N 1 1 321.385 -1.231 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001183026724 781718374 /nfs/dbraw/zinc/71/83/74/781718374.db2.gz WMLFDXHLSGSBAK-CIUDSAMLSA-N 1 1 304.376 -3.603 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001183024218 781719248 /nfs/dbraw/zinc/71/92/48/781719248.db2.gz JAWIXZSTNATAFZ-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001183024237 781721024 /nfs/dbraw/zinc/72/10/24/781721024.db2.gz JTEKITFATZDRAO-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO O=C(NCC[NH2+]Cc1cnns1)[C@H]1CCS(=O)(=O)N1 ZINC001151306168 781721172 /nfs/dbraw/zinc/72/11/72/781721172.db2.gz AQQWIEKUGNABMJ-MRVPVSSYSA-N 1 1 305.385 -1.564 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001183116019 781722335 /nfs/dbraw/zinc/72/23/35/781722335.db2.gz LPTSSCURSWONSJ-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC001151307033 781722746 /nfs/dbraw/zinc/72/27/46/781722746.db2.gz XOXFAPAXDSDNLO-LLVKDONJSA-N 1 1 315.399 -1.200 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001183141972 781722854 /nfs/dbraw/zinc/72/28/54/781722854.db2.gz ZADVXQUBNDFXPD-AATLWQCWSA-N 1 1 300.388 -2.573 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(O)cc3)CC2)[C@H]2NCN[C@@H]21 ZINC001183344193 781724579 /nfs/dbraw/zinc/72/45/79/781724579.db2.gz WGUXGHRHVFKLEA-JHJVBQTASA-N 1 1 303.366 -1.057 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cc[n+]([O-])cc1 ZINC001273481150 781727401 /nfs/dbraw/zinc/72/74/01/781727401.db2.gz AXMFGRXBWFCECA-UHFFFAOYSA-N 1 1 323.353 -1.091 20 0 DAADMO O=C(C[C@@H]1NC(=O)CNC1=O)NCC1([NH+]2CCCC2)COC1 ZINC001183727442 781732582 /nfs/dbraw/zinc/73/25/82/781732582.db2.gz UEOBFQHGRCKBQQ-JTQLQIEISA-N 1 1 310.354 -2.028 20 0 DAADMO C[N@@H+](C1CN(C(=O)C[C@@H]2NC(=O)CNC2=O)C1)[C@H]1CCOC1 ZINC001183728579 781733900 /nfs/dbraw/zinc/73/39/00/781733900.db2.gz KQYUTUZNZGBJAC-ONGXEEELSA-N 1 1 310.354 -2.077 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001183758520 781735091 /nfs/dbraw/zinc/73/50/91/781735091.db2.gz VVARCVWYNFLGEF-BYNSBNAKSA-N 1 1 316.409 -1.220 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@H]2NCN[C@H]21 ZINC001183758520 781735093 /nfs/dbraw/zinc/73/50/93/781735093.db2.gz VVARCVWYNFLGEF-BYNSBNAKSA-N 1 1 316.409 -1.220 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001183758524 781735678 /nfs/dbraw/zinc/73/56/78/781735678.db2.gz VVARCVWYNFLGEF-GBJTYRQASA-N 1 1 316.409 -1.220 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001183758524 781735686 /nfs/dbraw/zinc/73/56/86/781735686.db2.gz VVARCVWYNFLGEF-GBJTYRQASA-N 1 1 316.409 -1.220 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001151373658 781739737 /nfs/dbraw/zinc/73/97/37/781739737.db2.gz SJFBAVJYWQNVLQ-UHFFFAOYSA-N 1 1 307.401 -1.398 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cc(OC)no1 ZINC001151379769 781742466 /nfs/dbraw/zinc/74/24/66/781742466.db2.gz RTMNNVPNKQGCHN-UHFFFAOYSA-N 1 1 306.344 -1.562 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H](O)Cc2cccc(F)c2)[C@H]2NCN[C@@H]21 ZINC001184151810 781743535 /nfs/dbraw/zinc/74/35/35/781743535.db2.gz VGNQUNKXGJLYIK-UMSGYPCISA-N 1 1 309.345 -1.752 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H](O)Cc2cccc(F)c2)[C@@H]2NCN[C@H]21 ZINC001184151809 781743905 /nfs/dbraw/zinc/74/39/05/781743905.db2.gz VGNQUNKXGJLYIK-RVMXOQNASA-N 1 1 309.345 -1.752 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2=NOC3(C2)CCCCC3)[C@H]2NCN[C@@H]21 ZINC001184697112 781751024 /nfs/dbraw/zinc/75/10/24/781751024.db2.gz KJYQWEPHTHOVFX-IJLUTSLNSA-N 1 1 308.386 -1.015 20 0 DAADMO C[C@@H]1C[C@@H]1c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001185162811 781755615 /nfs/dbraw/zinc/75/56/15/781755615.db2.gz BHAMYJRQYDSZMH-XUEPZPCASA-N 1 1 303.370 -1.267 20 0 DAADMO CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001185244483 781757553 /nfs/dbraw/zinc/75/75/53/781757553.db2.gz LEZKYDZCKOUDAM-LLVKDONJSA-N 1 1 313.383 -1.087 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001185244483 781757557 /nfs/dbraw/zinc/75/75/57/781757557.db2.gz LEZKYDZCKOUDAM-LLVKDONJSA-N 1 1 313.383 -1.087 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185266837 781758237 /nfs/dbraw/zinc/75/82/37/781758237.db2.gz HNMCBFBMOAOSMY-CHWSQXEVSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1)c1nccs1 ZINC001185313897 781759522 /nfs/dbraw/zinc/75/95/22/781759522.db2.gz QJUJAAGNIGFYDL-MRVPVSSYSA-N 1 1 311.367 -1.218 20 0 DAADMO CN1CC(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)=NC1=O ZINC001185391923 781760189 /nfs/dbraw/zinc/76/01/89/781760189.db2.gz GUHLYANFCQZRIW-SECBINFHSA-N 1 1 316.383 -1.026 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001185378129 781761328 /nfs/dbraw/zinc/76/13/28/781761328.db2.gz ORMZCVGPJOOYFS-YPMHNXCESA-N 1 1 309.370 -1.360 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001185806370 781765540 /nfs/dbraw/zinc/76/55/40/781765540.db2.gz KOUVULOWYKBHNZ-MNOVXSKESA-N 1 1 309.374 -1.185 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(C)c1 ZINC001185772439 781766068 /nfs/dbraw/zinc/76/60/68/781766068.db2.gz ZEKXURATKAXISZ-AVGNSLFASA-N 1 1 319.365 -1.086 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186039755 781769849 /nfs/dbraw/zinc/76/98/49/781769849.db2.gz ZVQYTNUYKMXECG-QWRGUYRKSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186039755 781769856 /nfs/dbraw/zinc/76/98/56/781769856.db2.gz ZVQYTNUYKMXECG-QWRGUYRKSA-N 1 1 313.354 -1.667 20 0 DAADMO COCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185993135 781770760 /nfs/dbraw/zinc/77/07/60/781770760.db2.gz WDUFLXHAPAXKEX-LLVKDONJSA-N 1 1 310.358 -1.337 20 0 DAADMO O=C(c1nc[nH]n1)N1CCC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001186012068 781770817 /nfs/dbraw/zinc/77/08/17/781770817.db2.gz VHZNNZFXNLPWOR-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186039754 781770883 /nfs/dbraw/zinc/77/08/83/781770883.db2.gz ZVQYTNUYKMXECG-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186039754 781770886 /nfs/dbraw/zinc/77/08/86/781770886.db2.gz ZVQYTNUYKMXECG-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)C1)NCCCN1CCS(=O)(=O)CC1 ZINC001186056636 781771745 /nfs/dbraw/zinc/77/17/45/781771745.db2.gz YVWHMFYYWIHNRP-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)NCCCN1CCS(=O)(=O)CC1 ZINC001186056636 781771755 /nfs/dbraw/zinc/77/17/55/781771755.db2.gz YVWHMFYYWIHNRP-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001186115637 781771781 /nfs/dbraw/zinc/77/17/81/781771781.db2.gz HISPGIKSTIYLBT-ZDHGETPDSA-N 1 1 316.354 -2.300 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001186115637 781771790 /nfs/dbraw/zinc/77/17/90/781771790.db2.gz HISPGIKSTIYLBT-ZDHGETPDSA-N 1 1 316.354 -2.300 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)NCc1ccc(N2CCOCC2)nn1 ZINC001186054489 781772076 /nfs/dbraw/zinc/77/20/76/781772076.db2.gz FDBHJOWPGOHGMA-ZDUSSCGKSA-N 1 1 321.381 -1.004 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)NCc1ccc(N2CCOCC2)nn1 ZINC001186054489 781772082 /nfs/dbraw/zinc/77/20/82/781772082.db2.gz FDBHJOWPGOHGMA-ZDUSSCGKSA-N 1 1 321.381 -1.004 20 0 DAADMO NC(=O)COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001186070935 781772364 /nfs/dbraw/zinc/77/23/64/781772364.db2.gz UMLNTAYZVJINMN-FRRDWIJNSA-N 1 1 320.353 -2.317 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)C1)NCCOCCN1C(=O)C=CC1=O ZINC001186056363 781772761 /nfs/dbraw/zinc/77/27/61/781772761.db2.gz XZTWIXOVBUYUPD-LLVKDONJSA-N 1 1 311.338 -1.889 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)NCCOCCN1C(=O)C=CC1=O ZINC001186056363 781772768 /nfs/dbraw/zinc/77/27/68/781772768.db2.gz XZTWIXOVBUYUPD-LLVKDONJSA-N 1 1 311.338 -1.889 20 0 DAADMO CN(C)c1cccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001186076962 781772791 /nfs/dbraw/zinc/77/27/91/781772791.db2.gz RFSKDJILKPHKNJ-SOUVJXGZSA-N 1 1 304.398 -1.186 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055966 781773196 /nfs/dbraw/zinc/77/31/96/781773196.db2.gz WNHFAGGQHUPPRN-VXGBXAGGSA-N 1 1 310.354 -1.313 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055966 781773201 /nfs/dbraw/zinc/77/32/01/781773201.db2.gz WNHFAGGQHUPPRN-VXGBXAGGSA-N 1 1 310.354 -1.313 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001186338631 781777392 /nfs/dbraw/zinc/77/73/92/781777392.db2.gz AQWZTMRRIIFKRK-VHSXEESVSA-N 1 1 321.385 -1.012 20 0 DAADMO CCOC(=O)C12CC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)(C1)C2 ZINC001186568515 781780851 /nfs/dbraw/zinc/78/08/51/781780851.db2.gz YEAYSZUIZWUFLF-OAUXDIHDSA-N 1 1 309.370 -1.761 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001186608908 781781760 /nfs/dbraw/zinc/78/17/60/781781760.db2.gz XLZPGIFMJNIVOZ-SMDDNHRTSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001186603299 781784568 /nfs/dbraw/zinc/78/45/68/781784568.db2.gz UOFMLAOMFKEDMR-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1)C1CC1 ZINC001186756405 781788798 /nfs/dbraw/zinc/78/87/98/781788798.db2.gz NNFOMTZPEOLQOO-CMPLNLGQSA-N 1 1 323.397 -1.192 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1)C1CC1 ZINC001186756405 781788808 /nfs/dbraw/zinc/78/88/08/781788808.db2.gz NNFOMTZPEOLQOO-CMPLNLGQSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186802682 781789133 /nfs/dbraw/zinc/78/91/33/781789133.db2.gz CDNAIVHGUFCJGB-IVZWLZJFSA-N 1 1 323.353 -2.007 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001151586843 781790161 /nfs/dbraw/zinc/79/01/61/781790161.db2.gz OFXHUPIZGKLAQX-GFCCVEGCSA-N 1 1 310.358 -1.732 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001186819802 781791118 /nfs/dbraw/zinc/79/11/18/781791118.db2.gz RSECPOPXUYPDEV-HBNTYKKESA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001186818346 781791236 /nfs/dbraw/zinc/79/12/36/781791236.db2.gz AAJQKNGXSIQRDH-GXSJLCMTSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001186818346 781791241 /nfs/dbraw/zinc/79/12/41/781791241.db2.gz AAJQKNGXSIQRDH-GXSJLCMTSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001186811392 781791253 /nfs/dbraw/zinc/79/12/53/781791253.db2.gz GGSYLZYNTZQVFS-NWDGAFQWSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186812371 781792213 /nfs/dbraw/zinc/79/22/13/781792213.db2.gz OCUNURPKXZCRTM-JFGNBEQYSA-N 1 1 323.397 -1.146 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001186940698 781792443 /nfs/dbraw/zinc/79/24/43/781792443.db2.gz SXZALCHYGWBIAY-RWMBFGLXSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C1(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC1 ZINC001186994924 781793408 /nfs/dbraw/zinc/79/34/08/781793408.db2.gz SKNLDNVGPWDOKB-SNVBAGLBSA-N 1 1 321.385 -1.231 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)CCCc2ccccc2)[C@H]2NCN[C@@H]21 ZINC001187058027 781793481 /nfs/dbraw/zinc/79/34/81/781793481.db2.gz HAYIAEGFGJGJBZ-KBUPBQIOSA-N 1 1 319.409 -1.111 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187009600 781794635 /nfs/dbraw/zinc/79/46/35/781794635.db2.gz GVEACFGVOLZEJV-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187009600 781794661 /nfs/dbraw/zinc/79/46/61/781794661.db2.gz GVEACFGVOLZEJV-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001187071838 781795902 /nfs/dbraw/zinc/79/59/02/781795902.db2.gz GQVCRBRXHGFLFV-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001187071838 781795910 /nfs/dbraw/zinc/79/59/10/781795910.db2.gz GQVCRBRXHGFLFV-WDEREUQCSA-N 1 1 312.370 -1.037 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001187061351 781796483 /nfs/dbraw/zinc/79/64/83/781796483.db2.gz OUBZGQVRONWGJH-NXEZZACHSA-N 1 1 306.370 -1.154 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001187061351 781796493 /nfs/dbraw/zinc/79/64/93/781796493.db2.gz OUBZGQVRONWGJH-NXEZZACHSA-N 1 1 306.370 -1.154 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187521990 781799806 /nfs/dbraw/zinc/79/98/06/781799806.db2.gz BYKXTOVXONVYGG-SECBINFHSA-N 1 1 317.371 -1.349 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)NC1CC[NH+](CCF)CC1 ZINC001187524387 781799887 /nfs/dbraw/zinc/79/98/87/781799887.db2.gz MXNLHOSCOAEICC-NSHDSACASA-N 1 1 314.361 -1.069 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001187666273 781801435 /nfs/dbraw/zinc/80/14/35/781801435.db2.gz APSGKOWPBLYJHO-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001187666273 781801444 /nfs/dbraw/zinc/80/14/44/781801444.db2.gz APSGKOWPBLYJHO-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187690578 781805199 /nfs/dbraw/zinc/80/51/99/781805199.db2.gz LZHJQBHAQKQNDG-SDDRHHMPSA-N 1 1 314.386 -1.415 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001187675735 781805246 /nfs/dbraw/zinc/80/52/46/781805246.db2.gz XBKLWJOSKCWXFA-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001187772454 781805726 /nfs/dbraw/zinc/80/57/26/781805726.db2.gz WRISURNMEXVJRC-QJPTWQEYSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001187704769 781805815 /nfs/dbraw/zinc/80/58/15/781805815.db2.gz YJMQZGZRGLJBJZ-DTWKUNHWSA-N 1 1 310.362 -1.480 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001187795091 781806117 /nfs/dbraw/zinc/80/61/17/781806117.db2.gz QBXKNCDHTATHCS-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001187795091 781806127 /nfs/dbraw/zinc/80/61/27/781806127.db2.gz QBXKNCDHTATHCS-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)NC)[C@@H]2C1 ZINC001187794865 781806505 /nfs/dbraw/zinc/80/65/05/781806505.db2.gz NUYAEMSQDOHIDJ-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)NC)[C@@H]2C1 ZINC001187794865 781806514 /nfs/dbraw/zinc/80/65/14/781806514.db2.gz NUYAEMSQDOHIDJ-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187743995 781806970 /nfs/dbraw/zinc/80/69/70/781806970.db2.gz RHFAFZDUFSMYPV-SDDRHHMPSA-N 1 1 313.354 -1.364 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001187850648 781808846 /nfs/dbraw/zinc/80/88/46/781808846.db2.gz FBFWLUOHGQXCFK-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187915874 781810418 /nfs/dbraw/zinc/81/04/18/781810418.db2.gz RSRKSSODPPJVNW-MRVPVSSYSA-N 1 1 303.344 -1.691 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC001187915689 781810795 /nfs/dbraw/zinc/81/07/95/781810795.db2.gz OYGUKWNTZRMMIQ-MRVPVSSYSA-N 1 1 319.412 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187929108 781812776 /nfs/dbraw/zinc/81/27/76/781812776.db2.gz ADHBDORGPMNAJE-NWDGAFQWSA-N 1 1 310.358 -1.785 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930440 781813283 /nfs/dbraw/zinc/81/32/83/781813283.db2.gz RYQPTBOQRHDSIX-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930440 781813292 /nfs/dbraw/zinc/81/32/92/781813292.db2.gz RYQPTBOQRHDSIX-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188124185 781814088 /nfs/dbraw/zinc/81/40/88/781814088.db2.gz BPVKZEPIMSUSFG-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188118608 781814287 /nfs/dbraw/zinc/81/42/87/781814287.db2.gz HSBUWUADLHKQKD-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188118608 781814292 /nfs/dbraw/zinc/81/42/92/781814292.db2.gz HSBUWUADLHKQKD-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001188103197 781814339 /nfs/dbraw/zinc/81/43/39/781814339.db2.gz YYTNOFGZQNNHCT-GRYCIOLGSA-N 1 1 319.427 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001188151607 781816615 /nfs/dbraw/zinc/81/66/15/781816615.db2.gz JBFAMXOGRYMODV-SDDRHHMPSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC1CCOCC1)C(=O)C(N)=O ZINC001273553949 781816886 /nfs/dbraw/zinc/81/68/86/781816886.db2.gz LAXNGTOVBJITNM-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(C(F)(F)F)c[nH]2)[C@H]2NCN[C@@H]21 ZINC001188296603 781818378 /nfs/dbraw/zinc/81/83/78/781818378.db2.gz RWRFGQSVRWIEJT-ATRFCDNQSA-N 1 1 305.264 -1.439 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCNC(N)=O)[C@@H]2C1 ZINC001188484867 781819849 /nfs/dbraw/zinc/81/98/49/781819849.db2.gz CDSBJEMIEPIEIC-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCNC(N)=O)[C@@H]2C1 ZINC001188484867 781819856 /nfs/dbraw/zinc/81/98/56/781819856.db2.gz CDSBJEMIEPIEIC-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428648 781820477 /nfs/dbraw/zinc/82/04/77/781820477.db2.gz ZULPATLNMFZDIW-KHQFGBGNSA-N 1 1 321.341 -1.466 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428648 781820486 /nfs/dbraw/zinc/82/04/86/781820486.db2.gz ZULPATLNMFZDIW-KHQFGBGNSA-N 1 1 321.341 -1.466 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001188663961 781821272 /nfs/dbraw/zinc/82/12/72/781821272.db2.gz GJALWZPRQOYRJQ-QJPTWQEYSA-N 1 1 319.427 -1.031 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC001188693346 781821985 /nfs/dbraw/zinc/82/19/85/781821985.db2.gz LSHGCSBHWDTIHS-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001188693368 781822848 /nfs/dbraw/zinc/82/28/48/781822848.db2.gz MCBCHNBQOGVLBA-UONOGXRCSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001188693460 781823536 /nfs/dbraw/zinc/82/35/36/781823536.db2.gz NZGJGDRBWMWTRS-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001188693592 781824347 /nfs/dbraw/zinc/82/43/47/781824347.db2.gz OKHMGUDTIGRWDR-GFCCVEGCSA-N 1 1 324.381 -1.196 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001188725354 781824716 /nfs/dbraw/zinc/82/47/16/781824716.db2.gz AGFVDBBQLMTEMG-NSHDSACASA-N 1 1 321.337 -1.339 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001188725354 781824720 /nfs/dbraw/zinc/82/47/20/781824720.db2.gz AGFVDBBQLMTEMG-NSHDSACASA-N 1 1 321.337 -1.339 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001188693461 781824776 /nfs/dbraw/zinc/82/47/76/781824776.db2.gz NZGJGDRBWMWTRS-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188716099 781825158 /nfs/dbraw/zinc/82/51/58/781825158.db2.gz DITAJZZDPMDZSN-VIFPVBQESA-N 1 1 312.326 -1.398 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001188716099 781825171 /nfs/dbraw/zinc/82/51/71/781825171.db2.gz DITAJZZDPMDZSN-VIFPVBQESA-N 1 1 312.326 -1.398 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001188724370 781825282 /nfs/dbraw/zinc/82/52/82/781825282.db2.gz QUTPCCUUQQNGJI-WDEREUQCSA-N 1 1 320.415 -1.781 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188793559 781825580 /nfs/dbraw/zinc/82/55/80/781825580.db2.gz SGZROGKCJZNRAX-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188793559 781825591 /nfs/dbraw/zinc/82/55/91/781825591.db2.gz SGZROGKCJZNRAX-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN1CCC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188828771 781826357 /nfs/dbraw/zinc/82/63/57/781826357.db2.gz PMMUXCPFONPBSI-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785038 781826658 /nfs/dbraw/zinc/82/66/58/781826658.db2.gz UIKSGRZNBPJPRR-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785038 781826662 /nfs/dbraw/zinc/82/66/62/781826662.db2.gz UIKSGRZNBPJPRR-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188760164 781826907 /nfs/dbraw/zinc/82/69/07/781826907.db2.gz TURGWDIIRGOKOD-YNEHKIRRSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@@H+](C[C@H]1CCc2ncnn21)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811758 781826935 /nfs/dbraw/zinc/82/69/35/781826935.db2.gz FOPBFZWKYCMNPH-WDEREUQCSA-N 1 1 321.385 -1.034 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784786 781827197 /nfs/dbraw/zinc/82/71/97/781827197.db2.gz QGHIKXBHOKQLAB-QWRGUYRKSA-N 1 1 309.374 -1.318 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001188784343 781827415 /nfs/dbraw/zinc/82/74/15/781827415.db2.gz JUAVARIETZAKPN-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C1CC1 ZINC001188784343 781827422 /nfs/dbraw/zinc/82/74/22/781827422.db2.gz JUAVARIETZAKPN-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828695 781827709 /nfs/dbraw/zinc/82/77/09/781827709.db2.gz OPACAPVPPVSPGD-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828695 781827719 /nfs/dbraw/zinc/82/77/19/781827719.db2.gz OPACAPVPPVSPGD-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812021 781827962 /nfs/dbraw/zinc/82/79/62/781827962.db2.gz HPTYNHFRXJEUEW-RYUDHWBXSA-N 1 1 324.385 -1.555 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814633 781829405 /nfs/dbraw/zinc/82/94/05/781829405.db2.gz VJJUUJAWNOBSPU-VIFPVBQESA-N 1 1 321.403 -2.263 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814633 781829411 /nfs/dbraw/zinc/82/94/11/781829411.db2.gz VJJUUJAWNOBSPU-VIFPVBQESA-N 1 1 321.403 -2.263 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188861399 781830133 /nfs/dbraw/zinc/83/01/33/781830133.db2.gz CRBNLDOKQQNOQI-MNOVXSKESA-N 1 1 322.369 -1.001 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188813730 781830579 /nfs/dbraw/zinc/83/05/79/781830579.db2.gz QVHVGPXUEMMWHM-HBNTYKKESA-N 1 1 310.358 -1.636 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001188897213 781830912 /nfs/dbraw/zinc/83/09/12/781830912.db2.gz MYIITPWTTUSYOL-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001188897213 781830918 /nfs/dbraw/zinc/83/09/18/781830918.db2.gz MYIITPWTTUSYOL-JTQLQIEISA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001189059662 781832934 /nfs/dbraw/zinc/83/29/34/781832934.db2.gz RVFSFEALFWERJV-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001189059662 781832939 /nfs/dbraw/zinc/83/29/39/781832939.db2.gz RVFSFEALFWERJV-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001189059764 781833215 /nfs/dbraw/zinc/83/32/15/781833215.db2.gz TYRQLLOVHWERMB-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001189059764 781833217 /nfs/dbraw/zinc/83/32/17/781833217.db2.gz TYRQLLOVHWERMB-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001188956452 781833239 /nfs/dbraw/zinc/83/32/39/781833239.db2.gz KHNWJAGPJJDLLJ-GMXVVIOVSA-N 1 1 322.365 -1.077 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970300 781833628 /nfs/dbraw/zinc/83/36/28/781833628.db2.gz GEJIGZHYGDFKAG-HBNTYKKESA-N 1 1 309.370 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970300 781833634 /nfs/dbraw/zinc/83/36/34/781833634.db2.gz GEJIGZHYGDFKAG-HBNTYKKESA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001189059763 781834140 /nfs/dbraw/zinc/83/41/40/781834140.db2.gz TYRQLLOVHWERMB-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001189059763 781834148 /nfs/dbraw/zinc/83/41/48/781834148.db2.gz TYRQLLOVHWERMB-SSDOTTSWSA-N 1 1 312.355 -1.121 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985517 781834304 /nfs/dbraw/zinc/83/43/04/781834304.db2.gz ITFZTTYMTHXRRI-SDDRHHMPSA-N 1 1 315.370 -1.972 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001189086822 781836157 /nfs/dbraw/zinc/83/61/57/781836157.db2.gz USVIMRNUWPTRLK-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160874 781837991 /nfs/dbraw/zinc/83/79/91/781837991.db2.gz DBRIRVPIFBJCNF-WDEREUQCSA-N 1 1 308.400 -1.429 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001189160874 781837998 /nfs/dbraw/zinc/83/79/98/781837998.db2.gz DBRIRVPIFBJCNF-WDEREUQCSA-N 1 1 308.400 -1.429 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001189246810 781838066 /nfs/dbraw/zinc/83/80/66/781838066.db2.gz UEUWORYAERZDQM-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001189414695 781839849 /nfs/dbraw/zinc/83/98/49/781839849.db2.gz VJSGRKVZAPTHIE-DMDPSCGWSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478460 781842619 /nfs/dbraw/zinc/84/26/19/781842619.db2.gz AKESJMMVVYNDGL-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189515750 781843377 /nfs/dbraw/zinc/84/33/77/781843377.db2.gz BPYUBEJJUDOBSE-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189516292 781844051 /nfs/dbraw/zinc/84/40/51/781844051.db2.gz HBENWCAPNWFADR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189516292 781844055 /nfs/dbraw/zinc/84/40/55/781844055.db2.gz HBENWCAPNWFADR-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccccn3)n[nH]2)[C@H]2NCN[C@H]21 ZINC001189479417 781844395 /nfs/dbraw/zinc/84/43/95/781844395.db2.gz KYGHJJUPKXAEML-YNEHKIRRSA-N 1 1 314.353 -1.396 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189515747 781844965 /nfs/dbraw/zinc/84/49/65/781844965.db2.gz BPYUBEJJUDOBSE-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001189500355 781845139 /nfs/dbraw/zinc/84/51/39/781845139.db2.gz SHYLNZZTEOFILR-NSHDSACASA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189500355 781845150 /nfs/dbraw/zinc/84/51/50/781845150.db2.gz SHYLNZZTEOFILR-NSHDSACASA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001189500355 781845159 /nfs/dbraw/zinc/84/51/59/781845159.db2.gz SHYLNZZTEOFILR-NSHDSACASA-N 1 1 322.369 -1.060 20 0 DAADMO CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778222 781845740 /nfs/dbraw/zinc/84/57/40/781845740.db2.gz OAHNSUYURRBXJE-SNVBAGLBSA-N 1 1 314.390 -1.494 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189640427 781846445 /nfs/dbraw/zinc/84/64/45/781846445.db2.gz AJRPLIYOGFRNTQ-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)c1 ZINC001189640427 781846451 /nfs/dbraw/zinc/84/64/51/781846451.db2.gz AJRPLIYOGFRNTQ-VIFPVBQESA-N 1 1 308.342 -1.239 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695768 781846586 /nfs/dbraw/zinc/84/65/86/781846586.db2.gz PXNDDQMLQOPOJO-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189568795 781846758 /nfs/dbraw/zinc/84/67/58/781846758.db2.gz KHDSAKUVQIDRJU-RWMBFGLXSA-N 1 1 320.393 -1.066 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695771 781847764 /nfs/dbraw/zinc/84/77/64/781847764.db2.gz PXNDDQMLQOPOJO-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189568796 781847793 /nfs/dbraw/zinc/84/77/93/781847793.db2.gz KHDSAKUVQIDRJU-YNEHKIRRSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1nc(C(F)(F)F)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001189611081 781847901 /nfs/dbraw/zinc/84/79/01/781847901.db2.gz VOFDUQGSWGXPRM-VGMNWLOBSA-N 1 1 319.291 -1.428 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@H]2NCN[C@H]21 ZINC001189534913 781848060 /nfs/dbraw/zinc/84/80/60/781848060.db2.gz NHERTKYPKIVGIQ-XLPZGREQSA-N 1 1 305.264 -1.439 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733783 781848833 /nfs/dbraw/zinc/84/88/33/781848833.db2.gz DJOJYVZHAMFDNC-SNVBAGLBSA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733783 781848844 /nfs/dbraw/zinc/84/88/44/781848844.db2.gz DJOJYVZHAMFDNC-SNVBAGLBSA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733782 781849059 /nfs/dbraw/zinc/84/90/59/781849059.db2.gz DJOJYVZHAMFDNC-JTQLQIEISA-N 1 1 310.358 -1.395 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189733782 781849071 /nfs/dbraw/zinc/84/90/71/781849071.db2.gz DJOJYVZHAMFDNC-JTQLQIEISA-N 1 1 310.358 -1.395 20 0 DAADMO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001189713731 781849885 /nfs/dbraw/zinc/84/98/85/781849885.db2.gz OEZIMMLMWVYQBX-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189706451 781849999 /nfs/dbraw/zinc/84/99/99/781849999.db2.gz NEVWBAXPTZGJRM-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110415102 781850664 /nfs/dbraw/zinc/85/06/64/781850664.db2.gz WUFQAXOBNIPJDQ-DOLQZWNJSA-N 1 1 308.338 -1.612 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110415102 781850670 /nfs/dbraw/zinc/85/06/70/781850670.db2.gz WUFQAXOBNIPJDQ-DOLQZWNJSA-N 1 1 308.338 -1.612 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001110418507 781852020 /nfs/dbraw/zinc/85/20/20/781852020.db2.gz WQTFVGOJIICWFT-BBBLOLIVSA-N 1 1 323.353 -1.865 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001189759618 781853036 /nfs/dbraw/zinc/85/30/36/781853036.db2.gz ANVNJCWPTVMLBZ-SNVBAGLBSA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001189759618 781853046 /nfs/dbraw/zinc/85/30/46/781853046.db2.gz ANVNJCWPTVMLBZ-SNVBAGLBSA-N 1 1 306.326 -1.182 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110419552 781854247 /nfs/dbraw/zinc/85/42/47/781854247.db2.gz QSOXUNMJWKHTCC-XQHKEYJVSA-N 1 1 321.381 -1.159 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001189857488 781854326 /nfs/dbraw/zinc/85/43/26/781854326.db2.gz NBVFOTWHLBRCMK-DCAQKATOSA-N 1 1 302.375 -1.417 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001189859495 781854780 /nfs/dbraw/zinc/85/47/80/781854780.db2.gz ZPJSTKHFSMKLQO-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001189867745 781855160 /nfs/dbraw/zinc/85/51/60/781855160.db2.gz ZASYYIYCJLKAHW-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001189859121 781855219 /nfs/dbraw/zinc/85/52/19/781855219.db2.gz XCTJGAYQJZDSME-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001189859121 781855223 /nfs/dbraw/zinc/85/52/23/781855223.db2.gz XCTJGAYQJZDSME-ONGXEEELSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001189859482 781855410 /nfs/dbraw/zinc/85/54/10/781855410.db2.gz ZOCYQAAKFNPHBE-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001189874551 781855772 /nfs/dbraw/zinc/85/57/72/781855772.db2.gz MUGOURNMOWDLSM-NSHDSACASA-N 1 1 320.353 -1.253 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001189874551 781855783 /nfs/dbraw/zinc/85/57/83/781855783.db2.gz MUGOURNMOWDLSM-NSHDSACASA-N 1 1 320.353 -1.253 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189932801 781856940 /nfs/dbraw/zinc/85/69/40/781856940.db2.gz HJTNJVYGUGFMML-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189932801 781856950 /nfs/dbraw/zinc/85/69/50/781856950.db2.gz HJTNJVYGUGFMML-QWRGUYRKSA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001189918261 781857253 /nfs/dbraw/zinc/85/72/53/781857253.db2.gz RRWXDWSHPWLQAJ-SDDRHHMPSA-N 1 1 305.342 -1.827 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001189918263 781857365 /nfs/dbraw/zinc/85/73/65/781857365.db2.gz RRWXDWSHPWLQAJ-WOPDTQHZSA-N 1 1 305.342 -1.827 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cccn3)nc2)[C@@H]2NCN[C@@H]21 ZINC001189975517 781857798 /nfs/dbraw/zinc/85/77/98/781857798.db2.gz FQKSLAAPJKFZPN-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)o1 ZINC001189963068 781858575 /nfs/dbraw/zinc/85/85/75/781858575.db2.gz JMLASVQOTKSSJB-SECBINFHSA-N 1 1 324.341 -1.352 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)o1 ZINC001189963068 781858584 /nfs/dbraw/zinc/85/85/84/781858584.db2.gz JMLASVQOTKSSJB-SECBINFHSA-N 1 1 324.341 -1.352 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001190005049 781858955 /nfs/dbraw/zinc/85/89/55/781858955.db2.gz WAWWZMLRARDNTA-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001189984691 781859391 /nfs/dbraw/zinc/85/93/91/781859391.db2.gz VASTXYGUZAAUMQ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001189984691 781859397 /nfs/dbraw/zinc/85/93/97/781859397.db2.gz VASTXYGUZAAUMQ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190005337 781859837 /nfs/dbraw/zinc/85/98/37/781859837.db2.gz ZLVJHFKWJUVADH-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963657 781859973 /nfs/dbraw/zinc/85/99/73/781859973.db2.gz NOZAJVNQYAQMAX-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963657 781859982 /nfs/dbraw/zinc/85/99/82/781859982.db2.gz NOZAJVNQYAQMAX-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190059471 781860166 /nfs/dbraw/zinc/86/01/66/781860166.db2.gz UJDIUAXSXZZPQQ-VHSXEESVSA-N 1 1 321.341 -1.994 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001190059471 781860171 /nfs/dbraw/zinc/86/01/71/781860171.db2.gz UJDIUAXSXZZPQQ-VHSXEESVSA-N 1 1 321.341 -1.994 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187600 781860989 /nfs/dbraw/zinc/86/09/89/781860989.db2.gz POFVNWDDQRZNKW-RKDXNWHRSA-N 1 1 324.345 -2.211 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001190137177 781861102 /nfs/dbraw/zinc/86/11/02/781861102.db2.gz NLNVHFQUFLTORZ-LLVKDONJSA-N 1 1 322.431 -1.750 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(Cl)n1 ZINC001190102727 781861585 /nfs/dbraw/zinc/86/15/85/781861585.db2.gz IBASHHVDNDXORC-LSJOCFKGSA-N 1 1 312.761 -1.124 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190135616 781861623 /nfs/dbraw/zinc/86/16/23/781861623.db2.gz DFIYFPZTGVJLGK-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190136903 781861950 /nfs/dbraw/zinc/86/19/50/781861950.db2.gz LJPYYTLROXHHML-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187599 781862353 /nfs/dbraw/zinc/86/23/53/781862353.db2.gz POFVNWDDQRZNKW-IUCAKERBSA-N 1 1 324.345 -2.211 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190136899 781862388 /nfs/dbraw/zinc/86/23/88/781862388.db2.gz LJPYYTLROXHHML-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187598 781862649 /nfs/dbraw/zinc/86/26/49/781862649.db2.gz POFVNWDDQRZNKW-DTWKUNHWSA-N 1 1 324.345 -2.211 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(Cl)n1 ZINC001190102726 781863202 /nfs/dbraw/zinc/86/32/02/781863202.db2.gz IBASHHVDNDXORC-INTQDDNPSA-N 1 1 312.761 -1.124 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001190196217 781863508 /nfs/dbraw/zinc/86/35/08/781863508.db2.gz VUSUSJHUNJYYCI-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1)C1CC1 ZINC001190196217 781863517 /nfs/dbraw/zinc/86/35/17/781863517.db2.gz VUSUSJHUNJYYCI-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195596 781863746 /nfs/dbraw/zinc/86/37/46/781863746.db2.gz IDNZFGPBYQUXSJ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195596 781863755 /nfs/dbraw/zinc/86/37/55/781863755.db2.gz IDNZFGPBYQUXSJ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001190227780 781863777 /nfs/dbraw/zinc/86/37/77/781863777.db2.gz QBBFAOGGPRFWGY-WDEREUQCSA-N 1 1 305.400 -1.285 20 0 DAADMO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196180 781864442 /nfs/dbraw/zinc/86/44/42/781864442.db2.gz VDPRYHFHFKCKQE-GFCCVEGCSA-N 1 1 312.374 -1.131 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001190278554 781865314 /nfs/dbraw/zinc/86/53/14/781865314.db2.gz JMOPORZNULFUFH-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190329770 781865387 /nfs/dbraw/zinc/86/53/87/781865387.db2.gz STIHRZBCUZKBQV-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190329770 781865396 /nfs/dbraw/zinc/86/53/96/781865396.db2.gz STIHRZBCUZKBQV-ZJUUUORDSA-N 1 1 300.359 -1.845 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381499 781865458 /nfs/dbraw/zinc/86/54/58/781865458.db2.gz SOMNGRRLRRXWRE-SNVBAGLBSA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190381499 781865464 /nfs/dbraw/zinc/86/54/64/781865464.db2.gz SOMNGRRLRRXWRE-SNVBAGLBSA-N 1 1 323.357 -1.734 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001190278558 781865604 /nfs/dbraw/zinc/86/56/04/781865604.db2.gz JMOPORZNULFUFH-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001190309378 781865715 /nfs/dbraw/zinc/86/57/15/781865715.db2.gz WOTQUHJNNMVGMB-LBPRGKRZSA-N 1 1 319.365 -1.171 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001190309378 781865721 /nfs/dbraw/zinc/86/57/21/781865721.db2.gz WOTQUHJNNMVGMB-LBPRGKRZSA-N 1 1 319.365 -1.171 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@H]2NCN[C@@H]21 ZINC001190385897 781865822 /nfs/dbraw/zinc/86/58/22/781865822.db2.gz CJLOKMJVVHBJGU-BWZBUEFSSA-N 1 1 317.275 -1.372 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190463261 781867238 /nfs/dbraw/zinc/86/72/38/781867238.db2.gz RFHQCOTZAFMLPZ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190473034 781867566 /nfs/dbraw/zinc/86/75/66/781867566.db2.gz SAUVZDJGPAVGEX-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(C)C)C1 ZINC001190508969 781867582 /nfs/dbraw/zinc/86/75/82/781867582.db2.gz DQYOFXNIRSVMSV-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(C)C)C1 ZINC001190508969 781867591 /nfs/dbraw/zinc/86/75/91/781867591.db2.gz DQYOFXNIRSVMSV-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463780 781867824 /nfs/dbraw/zinc/86/78/24/781867824.db2.gz TUIMQSHAZKAQKM-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001190485290 781867860 /nfs/dbraw/zinc/86/78/60/781867860.db2.gz YCFBSYWYHBZNMG-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001190485290 781867868 /nfs/dbraw/zinc/86/78/68/781867868.db2.gz YCFBSYWYHBZNMG-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001190452828 781867885 /nfs/dbraw/zinc/86/78/85/781867885.db2.gz IXRKRGPPSDELPN-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001190452828 781867890 /nfs/dbraw/zinc/86/78/90/781867890.db2.gz IXRKRGPPSDELPN-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190465045 781868139 /nfs/dbraw/zinc/86/81/39/781868139.db2.gz YNVNVIQZGGXURE-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190465045 781868144 /nfs/dbraw/zinc/86/81/44/781868144.db2.gz YNVNVIQZGGXURE-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001190509158 781868296 /nfs/dbraw/zinc/86/82/96/781868296.db2.gz INZOJAORVGVQHW-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462727 781868351 /nfs/dbraw/zinc/86/83/51/781868351.db2.gz LWVOKTQRYHBWLA-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462727 781868356 /nfs/dbraw/zinc/86/83/56/781868356.db2.gz LWVOKTQRYHBWLA-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190483668 781868570 /nfs/dbraw/zinc/86/85/70/781868570.db2.gz RIKVZKAFHUGDCU-GHMZBOCLSA-N 1 1 314.386 -1.502 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190510377 781869362 /nfs/dbraw/zinc/86/93/62/781869362.db2.gz RSQADLLIJRTTLM-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001190562569 781869487 /nfs/dbraw/zinc/86/94/87/781869487.db2.gz ZWVULFRPNNGGLD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1O ZINC001190562569 781869491 /nfs/dbraw/zinc/86/94/91/781869491.db2.gz ZWVULFRPNNGGLD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001190491609 781869528 /nfs/dbraw/zinc/86/95/28/781869528.db2.gz JOAMPDRROYBAPL-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001190491609 781869535 /nfs/dbraw/zinc/86/95/35/781869535.db2.gz JOAMPDRROYBAPL-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001190511987 781869591 /nfs/dbraw/zinc/86/95/91/781869591.db2.gz YXRKYFQSSHJUCO-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001190491610 781870010 /nfs/dbraw/zinc/87/00/10/781870010.db2.gz JOAMPDRROYBAPL-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001190491610 781870017 /nfs/dbraw/zinc/87/00/17/781870017.db2.gz JOAMPDRROYBAPL-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190588408 781871183 /nfs/dbraw/zinc/87/11/83/781871183.db2.gz SWIYIUKGHBBKNX-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190588408 781871192 /nfs/dbraw/zinc/87/11/92/781871192.db2.gz SWIYIUKGHBBKNX-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001190609629 781873614 /nfs/dbraw/zinc/87/36/14/781873614.db2.gz GPCOWAIOZZJKIW-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001190609629 781873621 /nfs/dbraw/zinc/87/36/21/781873621.db2.gz GPCOWAIOZZJKIW-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 ZINC001190658718 781873646 /nfs/dbraw/zinc/87/36/46/781873646.db2.gz CAPKRFYSQXXEFH-JHJVBQTASA-N 1 1 302.371 -1.418 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001190708948 781874116 /nfs/dbraw/zinc/87/41/16/781874116.db2.gz AVEOGDANIXIYHS-HUUCEWRRSA-N 1 1 321.377 -1.024 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C2)cn1 ZINC001190708992 781874300 /nfs/dbraw/zinc/87/43/00/781874300.db2.gz BKJSGLARQPQALL-ZIAGYGMSSA-N 1 1 323.397 -1.257 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O ZINC001190708988 781874953 /nfs/dbraw/zinc/87/49/53/781874953.db2.gz BHRYOYVOIMSKMR-CHWSQXEVSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001190709458 781877083 /nfs/dbraw/zinc/87/70/83/781877083.db2.gz NAWRNHDHKXFXLB-NXEZZACHSA-N 1 1 309.313 -1.435 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001190709458 781877074 /nfs/dbraw/zinc/87/70/74/781877074.db2.gz NAWRNHDHKXFXLB-NXEZZACHSA-N 1 1 309.313 -1.435 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190717423 781877376 /nfs/dbraw/zinc/87/73/76/781877376.db2.gz IGHZNSBQOUVQEB-GHMZBOCLSA-N 1 1 313.358 -2.691 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190717423 781877386 /nfs/dbraw/zinc/87/73/86/781877386.db2.gz IGHZNSBQOUVQEB-GHMZBOCLSA-N 1 1 313.358 -2.691 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001190717416 781877730 /nfs/dbraw/zinc/87/77/30/781877730.db2.gz HWETVFBNHNLYLR-QJPTWQEYSA-N 1 1 322.369 -1.937 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)cc1=O ZINC001190734188 781878156 /nfs/dbraw/zinc/87/81/56/781878156.db2.gz ODNHNZXJNZUNRW-LBPRGKRZSA-N 1 1 324.381 -1.065 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001190785865 781881014 /nfs/dbraw/zinc/88/10/14/781881014.db2.gz HRELSGMWAVFYKD-CYZMBNFOSA-N 1 1 309.370 -1.431 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001190785865 781881025 /nfs/dbraw/zinc/88/10/25/781881025.db2.gz HRELSGMWAVFYKD-CYZMBNFOSA-N 1 1 309.370 -1.431 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001190775056 781881166 /nfs/dbraw/zinc/88/11/66/781881166.db2.gz CLNAEUIFPGPYKW-QMMMGPOBSA-N 1 1 313.358 -1.775 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001190775056 781881173 /nfs/dbraw/zinc/88/11/73/781881173.db2.gz CLNAEUIFPGPYKW-QMMMGPOBSA-N 1 1 313.358 -1.775 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001190842837 781882709 /nfs/dbraw/zinc/88/27/09/781882709.db2.gz ZOSVKCZWURNMOZ-YNEHKIRRSA-N 1 1 312.370 -1.558 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190830965 781883375 /nfs/dbraw/zinc/88/33/75/781883375.db2.gz HKXKJPZMHADWNH-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001190830965 781883380 /nfs/dbraw/zinc/88/33/80/781883380.db2.gz HKXKJPZMHADWNH-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837489 781883419 /nfs/dbraw/zinc/88/34/19/781883419.db2.gz OWYXXAHEBMGIEM-MRVPVSSYSA-N 1 1 322.325 -1.477 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001190837489 781883426 /nfs/dbraw/zinc/88/34/26/781883426.db2.gz OWYXXAHEBMGIEM-MRVPVSSYSA-N 1 1 322.325 -1.477 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001190895317 781885464 /nfs/dbraw/zinc/88/54/64/781885464.db2.gz UGZPETUBOYDHLC-LERXQTSPSA-N 1 1 323.397 -1.352 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922520 781886775 /nfs/dbraw/zinc/88/67/75/781886775.db2.gz IFAHNMZOYVHEOO-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190904391 781886937 /nfs/dbraw/zinc/88/69/37/781886937.db2.gz GEKBTLQLJUTNTQ-IJLUTSLNSA-N 1 1 322.427 -1.465 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CSC)C1 ZINC001190904391 781886952 /nfs/dbraw/zinc/88/69/52/781886952.db2.gz GEKBTLQLJUTNTQ-IJLUTSLNSA-N 1 1 322.427 -1.465 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904644 781887244 /nfs/dbraw/zinc/88/72/44/781887244.db2.gz LJEIHIYRUJCKPT-OPRDCNLKSA-N 1 1 300.319 -3.158 20 0 DAADMO CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001190904714 781887673 /nfs/dbraw/zinc/88/76/73/781887673.db2.gz MGFQMYVZKHEBQY-JHJVBQTASA-N 1 1 324.385 -1.351 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001190968493 781888369 /nfs/dbraw/zinc/88/83/69/781888369.db2.gz GYPOAJVZCZDQSJ-HBNTYKKESA-N 1 1 300.359 -1.615 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001190978351 781891606 /nfs/dbraw/zinc/89/16/06/781891606.db2.gz VUZXAXLAAFIGPU-HBNTYKKESA-N 1 1 300.359 -1.757 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190988501 781891884 /nfs/dbraw/zinc/89/18/84/781891884.db2.gz FGOISOZDBKTXPL-SNVBAGLBSA-N 1 1 313.358 -2.743 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190988501 781891890 /nfs/dbraw/zinc/89/18/90/781891890.db2.gz FGOISOZDBKTXPL-SNVBAGLBSA-N 1 1 313.358 -2.743 20 0 DAADMO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190982108 781892064 /nfs/dbraw/zinc/89/20/64/781892064.db2.gz VHEGBUFXCNRMET-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190982108 781892071 /nfs/dbraw/zinc/89/20/71/781892071.db2.gz VHEGBUFXCNRMET-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001190978350 781892184 /nfs/dbraw/zinc/89/21/84/781892184.db2.gz VUZXAXLAAFIGPU-GMTAPVOTSA-N 1 1 300.359 -1.757 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953048 781892674 /nfs/dbraw/zinc/89/26/74/781892674.db2.gz XENOFYABNYCCEV-GHMZBOCLSA-N 1 1 310.358 -1.942 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953048 781892683 /nfs/dbraw/zinc/89/26/83/781892683.db2.gz XENOFYABNYCCEV-GHMZBOCLSA-N 1 1 310.358 -1.942 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041927 781895431 /nfs/dbraw/zinc/89/54/31/781895431.db2.gz XALRTCBGBSMIBC-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041930 781895857 /nfs/dbraw/zinc/89/58/57/781895857.db2.gz XALRTCBGBSMIBC-WDEREUQCSA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191121193 781896665 /nfs/dbraw/zinc/89/66/65/781896665.db2.gz ZESIYMXSAATWHN-JGVFFNPUSA-N 1 1 309.330 -1.466 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001191114108 781896783 /nfs/dbraw/zinc/89/67/83/781896783.db2.gz NRLBSDIFIUDYQT-CHWSQXEVSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001191114108 781896789 /nfs/dbraw/zinc/89/67/89/781896789.db2.gz NRLBSDIFIUDYQT-CHWSQXEVSA-N 1 1 312.370 -1.244 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001191121154 781896825 /nfs/dbraw/zinc/89/68/25/781896825.db2.gz OSBRCLXPTMYHIV-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191122124 781896865 /nfs/dbraw/zinc/89/68/65/781896865.db2.gz XLZUZJNWZHFCPT-YNEHKIRRSA-N 1 1 311.386 -1.010 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191126833 781896968 /nfs/dbraw/zinc/89/69/68/781896968.db2.gz BLNIVVCIXPVMIB-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191126833 781896972 /nfs/dbraw/zinc/89/69/72/781896972.db2.gz BLNIVVCIXPVMIB-VIFPVBQESA-N 1 1 323.357 -1.203 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191117711 781897310 /nfs/dbraw/zinc/89/73/10/781897310.db2.gz AAZXBQVRKQFLET-VIFPVBQESA-N 1 1 316.387 -1.500 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191117711 781897321 /nfs/dbraw/zinc/89/73/21/781897321.db2.gz AAZXBQVRKQFLET-VIFPVBQESA-N 1 1 316.387 -1.500 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191127143 781897561 /nfs/dbraw/zinc/89/75/61/781897561.db2.gz DBBRLMNYCLRUSR-QMMMGPOBSA-N 1 1 309.330 -1.593 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191127143 781897570 /nfs/dbraw/zinc/89/75/70/781897570.db2.gz DBBRLMNYCLRUSR-QMMMGPOBSA-N 1 1 309.330 -1.593 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090628 781898395 /nfs/dbraw/zinc/89/83/95/781898395.db2.gz DYPLJNATYNCJDR-YUMQZZPRSA-N 1 1 306.313 -1.226 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090628 781898400 /nfs/dbraw/zinc/89/84/00/781898400.db2.gz DYPLJNATYNCJDR-YUMQZZPRSA-N 1 1 306.313 -1.226 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090586 781898447 /nfs/dbraw/zinc/89/84/47/781898447.db2.gz CZRCOXVWGIEJFU-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090585 781898583 /nfs/dbraw/zinc/89/85/83/781898583.db2.gz CZRCOXVWGIEJFU-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1COCCO1 ZINC001191167120 781898820 /nfs/dbraw/zinc/89/88/20/781898820.db2.gz ALNUUIHKSNFVSZ-UTUOFQBUSA-N 1 1 304.343 -2.428 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1COCCO1 ZINC001191167120 781898825 /nfs/dbraw/zinc/89/88/25/781898825.db2.gz ALNUUIHKSNFVSZ-UTUOFQBUSA-N 1 1 304.343 -2.428 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1COCCO1 ZINC001191167146 781899051 /nfs/dbraw/zinc/89/90/51/781899051.db2.gz AYKSMIDRYYFGSM-MXWKQRLJSA-N 1 1 324.324 -1.155 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1COCCO1 ZINC001191167146 781899057 /nfs/dbraw/zinc/89/90/57/781899057.db2.gz AYKSMIDRYYFGSM-MXWKQRLJSA-N 1 1 324.324 -1.155 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090626 781899995 /nfs/dbraw/zinc/89/99/95/781899995.db2.gz DYPLJNATYNCJDR-JGVFFNPUSA-N 1 1 306.313 -1.226 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090626 781900000 /nfs/dbraw/zinc/90/00/00/781900000.db2.gz DYPLJNATYNCJDR-JGVFFNPUSA-N 1 1 306.313 -1.226 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001191170206 781901043 /nfs/dbraw/zinc/90/10/43/781901043.db2.gz TUHCVRYSIUNTTI-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cccn2)C1 ZINC001191140921 781901356 /nfs/dbraw/zinc/90/13/56/781901356.db2.gz FKFUDQTUOGKZJB-YNEHKIRRSA-N 1 1 312.370 -1.558 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001191144258 781901660 /nfs/dbraw/zinc/90/16/60/781901660.db2.gz MPSUWVPYWSAVJB-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001191185572 781902755 /nfs/dbraw/zinc/90/27/55/781902755.db2.gz KEADNOYLOLLXKB-ZIAGYGMSSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001191185572 781902762 /nfs/dbraw/zinc/90/27/62/781902762.db2.gz KEADNOYLOLLXKB-ZIAGYGMSSA-N 1 1 323.397 -1.132 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185657 781903018 /nfs/dbraw/zinc/90/30/18/781903018.db2.gz LUBPOHXNKUMZMZ-IJLUTSLNSA-N 1 1 303.359 -2.367 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001191187782 781903419 /nfs/dbraw/zinc/90/34/19/781903419.db2.gz FTWMDOORSFJHSW-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO COCOc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001191288717 781904493 /nfs/dbraw/zinc/90/44/93/781904493.db2.gz RZOQEUICXCRDMW-AGIUHOORSA-N 1 1 307.354 -1.198 20 0 DAADMO COC(=O)c1cncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001191226543 781904815 /nfs/dbraw/zinc/90/48/15/781904815.db2.gz AQVGTRHQJDHRMY-VWYCJHECSA-N 1 1 306.326 -1.999 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270435 781905028 /nfs/dbraw/zinc/90/50/28/781905028.db2.gz HXJNWYXKUXNKPA-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270435 781905035 /nfs/dbraw/zinc/90/50/35/781905035.db2.gz HXJNWYXKUXNKPA-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n(C)n1 ZINC001191349824 781906069 /nfs/dbraw/zinc/90/60/69/781906069.db2.gz ZGCFIVRUGQWRHD-DGCLKSJQSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n(C)n1 ZINC001191349824 781906073 /nfs/dbraw/zinc/90/60/73/781906073.db2.gz ZGCFIVRUGQWRHD-DGCLKSJQSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001191348145 781906816 /nfs/dbraw/zinc/90/68/16/781906816.db2.gz IYXHKLABZZQFHM-NQBHXWOUSA-N 1 1 312.370 -1.489 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(Br)no2)[C@H]2NCN[C@H]21 ZINC001191344777 781906842 /nfs/dbraw/zinc/90/68/42/781906842.db2.gz OVQIFQSXKWYSAZ-XLPZGREQSA-N 1 1 317.147 -1.430 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001191384198 781907641 /nfs/dbraw/zinc/90/76/41/781907641.db2.gz PMCOCLNTQLHKID-QJPTWQEYSA-N 1 1 315.370 -1.070 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1)OC ZINC001191392308 781907972 /nfs/dbraw/zinc/90/79/72/781907972.db2.gz HUXAYVAZECDEEH-HBNTYKKESA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191383769 781908165 /nfs/dbraw/zinc/90/81/65/781908165.db2.gz CVCPHYFNEZOFMZ-OPRDCNLKSA-N 1 1 305.331 -2.489 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001191393250 781908322 /nfs/dbraw/zinc/90/83/22/781908322.db2.gz RAHYEQCEVBIGOY-GMTAPVOTSA-N 1 1 303.359 -1.335 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001191393251 781908935 /nfs/dbraw/zinc/90/89/35/781908935.db2.gz RAHYEQCEVBIGOY-HBNTYKKESA-N 1 1 303.359 -1.335 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191383768 781908960 /nfs/dbraw/zinc/90/89/60/781908960.db2.gz CVCPHYFNEZOFMZ-IVZWLZJFSA-N 1 1 305.331 -2.489 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191425242 781910530 /nfs/dbraw/zinc/91/05/30/781910530.db2.gz WLKCVPWBIGTVLC-HBNTYKKESA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191425242 781910534 /nfs/dbraw/zinc/91/05/34/781910534.db2.gz WLKCVPWBIGTVLC-HBNTYKKESA-N 1 1 300.359 -1.792 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191455805 781911318 /nfs/dbraw/zinc/91/13/18/781911318.db2.gz BDHVPSOMAUQFEY-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191433570 781911347 /nfs/dbraw/zinc/91/13/47/781911347.db2.gz XFOPBJBBQVUFBJ-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001191433570 781911351 /nfs/dbraw/zinc/91/13/51/781911351.db2.gz XFOPBJBBQVUFBJ-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@H](O)CN2CCOCC2)C1=O ZINC001191474542 781911780 /nfs/dbraw/zinc/91/17/80/781911780.db2.gz IYAFGJMZTCQPAN-NEPJUHHUSA-N 1 1 314.386 -1.448 20 0 DAADMO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191546320 781913317 /nfs/dbraw/zinc/91/33/17/781913317.db2.gz JPXADEINFSUTMH-MRVWCRGKSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191546320 781913322 /nfs/dbraw/zinc/91/33/22/781913322.db2.gz JPXADEINFSUTMH-MRVWCRGKSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)COC)C1 ZINC001191553118 781914312 /nfs/dbraw/zinc/91/43/12/781914312.db2.gz ZBLSNOBHKDTEGK-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191551560 781914574 /nfs/dbraw/zinc/91/45/74/781914574.db2.gz NZBLSKITHQLKGN-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)COC)C1 ZINC001191553120 781915177 /nfs/dbraw/zinc/91/51/77/781915177.db2.gz ZBLSNOBHKDTEGK-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191553986 781915303 /nfs/dbraw/zinc/91/53/03/781915303.db2.gz CFNHYIKDJZWWLU-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO CCO[C@@H](CC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191553986 781915308 /nfs/dbraw/zinc/91/53/08/781915308.db2.gz CFNHYIKDJZWWLU-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCOC)C1 ZINC001191552023 781915453 /nfs/dbraw/zinc/91/54/53/781915453.db2.gz SOWPKFQGLVMHHB-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001191554751 781916516 /nfs/dbraw/zinc/91/65/16/781916516.db2.gz YCLISADTIHGQGO-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C)C1 ZINC001191554751 781916523 /nfs/dbraw/zinc/91/65/23/781916523.db2.gz YCLISADTIHGQGO-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001191675319 781916752 /nfs/dbraw/zinc/91/67/52/781916752.db2.gz VRVBFXNHSWNLMF-BDAKNGLRSA-N 1 1 323.357 -1.157 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC001191676051 781916855 /nfs/dbraw/zinc/91/68/55/781916855.db2.gz DYMQVKBFJVIUHM-FXPVBKGRSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC001191676051 781916863 /nfs/dbraw/zinc/91/68/63/781916863.db2.gz DYMQVKBFJVIUHM-FXPVBKGRSA-N 1 1 301.368 -1.075 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001191561764 781916937 /nfs/dbraw/zinc/91/69/37/781916937.db2.gz TZUXWIGKHBZSHF-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001191675320 781917178 /nfs/dbraw/zinc/91/71/78/781917178.db2.gz VRVBFXNHSWNLMF-DTWKUNHWSA-N 1 1 323.357 -1.157 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)OC)C1 ZINC001191561993 781917279 /nfs/dbraw/zinc/91/72/79/781917279.db2.gz WVCXBQITDSXNOX-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001376908486 921745144 /nfs/dbraw/zinc/74/51/44/921745144.db2.gz JAPPQZJPIZGTPN-QMMMGPOBSA-N 1 1 309.330 -1.627 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001376898008 921742729 /nfs/dbraw/zinc/74/27/29/921742729.db2.gz CKSIACYSCWRVGK-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001376890883 921743161 /nfs/dbraw/zinc/74/31/61/921743161.db2.gz FTPHKURIFZCGQW-LLVKDONJSA-N 1 1 322.431 -1.607 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001376875166 921743648 /nfs/dbraw/zinc/74/36/48/921743648.db2.gz ULNIEPTWEVWYHN-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001376904821 921745967 /nfs/dbraw/zinc/74/59/67/921745967.db2.gz QNHJPJMDNFAEHN-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)Cn1ncnn1 ZINC001376939101 921749998 /nfs/dbraw/zinc/74/99/98/921749998.db2.gz OUIGAHICQVFQDL-UHFFFAOYSA-N 1 1 307.362 -1.255 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001376965860 921754625 /nfs/dbraw/zinc/75/46/25/921754625.db2.gz UDAQGGSTGQNQJV-PSASIEDQSA-N 1 1 308.342 -1.506 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001377015822 921758634 /nfs/dbraw/zinc/75/86/34/921758634.db2.gz CLGWBHFKJNLCDG-UHFFFAOYSA-N 1 1 311.386 -1.136 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001377084774 921763102 /nfs/dbraw/zinc/76/31/02/921763102.db2.gz NJDZQSPOIUSISL-JTQLQIEISA-N 1 1 305.400 -1.097 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1snnc1C ZINC001377115860 921764973 /nfs/dbraw/zinc/76/49/73/921764973.db2.gz DXJRIFFTIWWQSU-UHFFFAOYSA-N 1 1 314.371 -1.036 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1snnc1C ZINC001377115860 921764988 /nfs/dbraw/zinc/76/49/88/921764988.db2.gz DXJRIFFTIWWQSU-UHFFFAOYSA-N 1 1 314.371 -1.036 20 0 DAADMO CCN(C)C(=O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377138562 921769759 /nfs/dbraw/zinc/76/97/59/921769759.db2.gz ILIHVGYKCYAFHT-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CCN(C)C(=O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377138562 921769766 /nfs/dbraw/zinc/76/97/66/921769766.db2.gz ILIHVGYKCYAFHT-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@@H](O)Cn1cccn1 ZINC001377134307 921770330 /nfs/dbraw/zinc/77/03/30/921770330.db2.gz VRNZLHCABGUPTR-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001377136713 921771013 /nfs/dbraw/zinc/77/10/13/921771013.db2.gz LLTSPDSMJIBKQS-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001377136713 921771022 /nfs/dbraw/zinc/77/10/22/921771022.db2.gz LLTSPDSMJIBKQS-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)C[C@H](O)Cn2cccn2)[nH]1 ZINC001377153058 921772189 /nfs/dbraw/zinc/77/21/89/921772189.db2.gz ZWMQXZAXTKZODA-LBPRGKRZSA-N 1 1 321.385 -1.039 20 0 DAADMO Cc1nc(CC(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)n[nH]1 ZINC001377153058 921772201 /nfs/dbraw/zinc/77/22/01/921772201.db2.gz ZWMQXZAXTKZODA-LBPRGKRZSA-N 1 1 321.385 -1.039 20 0 DAADMO Cc1nc(CC(=O)NCC[N@H+](C)C[C@H](O)Cn2cccn2)n[nH]1 ZINC001377153058 921772212 /nfs/dbraw/zinc/77/22/12/921772212.db2.gz ZWMQXZAXTKZODA-LBPRGKRZSA-N 1 1 321.385 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001377150510 921772400 /nfs/dbraw/zinc/77/24/00/921772400.db2.gz CHYMZOGSDWCCDO-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001377150510 921772416 /nfs/dbraw/zinc/77/24/16/921772416.db2.gz CHYMZOGSDWCCDO-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001377153790 921773441 /nfs/dbraw/zinc/77/34/41/921773441.db2.gz VVCXBAOACAVHFB-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO COCCn1cc(C(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)nn1 ZINC001377150342 921773596 /nfs/dbraw/zinc/77/35/96/921773596.db2.gz KVBMBLDCNULRFI-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO COCCn1cc(C(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)nn1 ZINC001377150342 921773607 /nfs/dbraw/zinc/77/36/07/921773607.db2.gz KVBMBLDCNULRFI-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC(N)=O ZINC001377141840 921773918 /nfs/dbraw/zinc/77/39/18/921773918.db2.gz VMKRYRYSAUHQLG-UHFFFAOYSA-N 1 1 301.347 -2.439 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)NC(N)=O ZINC001377141840 921773932 /nfs/dbraw/zinc/77/39/32/921773932.db2.gz VMKRYRYSAUHQLG-UHFFFAOYSA-N 1 1 301.347 -2.439 20 0 DAADMO C[N@H+](CCNC(=O)CCn1ccccc1=O)CC(=O)NC(N)=O ZINC001377165892 921775707 /nfs/dbraw/zinc/77/57/07/921775707.db2.gz YVUIQQAICGAPGR-UHFFFAOYSA-N 1 1 323.353 -1.519 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1ccccc1=O)CC(=O)NC(N)=O ZINC001377165892 921775718 /nfs/dbraw/zinc/77/57/18/921775718.db2.gz YVUIQQAICGAPGR-UHFFFAOYSA-N 1 1 323.353 -1.519 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001377162615 921775746 /nfs/dbraw/zinc/77/57/46/921775746.db2.gz QAYGUJBLFUQBOC-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001377162615 921775761 /nfs/dbraw/zinc/77/57/61/921775761.db2.gz QAYGUJBLFUQBOC-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCc1nnsc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377192052 921779332 /nfs/dbraw/zinc/77/93/32/921779332.db2.gz YVETWAREDBEDBE-UHFFFAOYSA-N 1 1 314.371 -1.043 20 0 DAADMO CCc1nnsc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377192052 921779344 /nfs/dbraw/zinc/77/93/44/921779344.db2.gz YVETWAREDBEDBE-UHFFFAOYSA-N 1 1 314.371 -1.043 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1nccn1C ZINC001377198181 921780010 /nfs/dbraw/zinc/78/00/10/921780010.db2.gz NZPUYDHKTVELBH-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1nccn1C ZINC001377198181 921780017 /nfs/dbraw/zinc/78/00/17/921780017.db2.gz NZPUYDHKTVELBH-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001377182648 921780081 /nfs/dbraw/zinc/78/00/81/921780081.db2.gz SFJDYFUMKXCJIF-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001377182648 921780089 /nfs/dbraw/zinc/78/00/89/921780089.db2.gz SFJDYFUMKXCJIF-UWVGGRQHSA-N 1 1 324.385 -1.271 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCCC1=O)CC(=O)NC(N)=O ZINC001377187015 921780385 /nfs/dbraw/zinc/78/03/85/921780385.db2.gz BTDMFNBFOFFILW-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCCC1=O)CC(=O)NC(N)=O ZINC001377187015 921780400 /nfs/dbraw/zinc/78/04/00/921780400.db2.gz BTDMFNBFOFFILW-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001377182659 921780574 /nfs/dbraw/zinc/78/05/74/921780574.db2.gz SFJDYFUMKXCJIF-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001377182659 921780587 /nfs/dbraw/zinc/78/05/87/921780587.db2.gz SFJDYFUMKXCJIF-ZJUUUORDSA-N 1 1 324.385 -1.271 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)CCN2CCNC2=O)o1 ZINC001377183480 921780928 /nfs/dbraw/zinc/78/09/28/921780928.db2.gz SLUKCOWYAKQIOD-UHFFFAOYSA-N 1 1 310.358 -1.006 20 0 DAADMO Cn1cncc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377186372 921781063 /nfs/dbraw/zinc/78/10/63/921781063.db2.gz DIGATHAXNLICQN-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO Cn1cncc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377186372 921781071 /nfs/dbraw/zinc/78/10/71/921781071.db2.gz DIGATHAXNLICQN-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO CC[C@@H]([NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1)C(N)=O ZINC001377202029 921782546 /nfs/dbraw/zinc/78/25/46/921782546.db2.gz PRXCKRAXHVXYMX-SECBINFHSA-N 1 1 310.358 -1.063 20 0 DAADMO CC[C@@H]([NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1)C(N)=O ZINC001377202029 921782553 /nfs/dbraw/zinc/78/25/53/921782553.db2.gz PRXCKRAXHVXYMX-SECBINFHSA-N 1 1 310.358 -1.063 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001377212572 921782646 /nfs/dbraw/zinc/78/26/46/921782646.db2.gz QIHCDBOPYRDBAQ-UWVGGRQHSA-N 1 1 318.399 -1.850 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H]1CCS(=O)(=O)C1 ZINC001377212572 921782653 /nfs/dbraw/zinc/78/26/53/921782653.db2.gz QIHCDBOPYRDBAQ-UWVGGRQHSA-N 1 1 318.399 -1.850 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)COCC(F)F ZINC001377201791 921784031 /nfs/dbraw/zinc/78/40/31/921784031.db2.gz YRLHMLCVJHDGKD-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)COCC(F)F ZINC001377201791 921784041 /nfs/dbraw/zinc/78/40/41/921784041.db2.gz YRLHMLCVJHDGKD-SSDOTTSWSA-N 1 1 310.301 -1.101 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001377209126 921784311 /nfs/dbraw/zinc/78/43/11/921784311.db2.gz WXBXMLOKMLHAAH-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001377200100 921784342 /nfs/dbraw/zinc/78/43/42/921784342.db2.gz WNTBKEASHPZJOT-VWYCJHECSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001377200100 921784357 /nfs/dbraw/zinc/78/43/57/921784357.db2.gz WNTBKEASHPZJOT-VWYCJHECSA-N 1 1 312.370 -1.784 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CCn1cncn1 ZINC001377204947 921784422 /nfs/dbraw/zinc/78/44/22/921784422.db2.gz GOWNPYXMWHCQFF-UHFFFAOYSA-N 1 1 309.374 -2.242 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001377208201 921784878 /nfs/dbraw/zinc/78/48/78/921784878.db2.gz MJNWJLOKQGIPPF-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001377200098 921784921 /nfs/dbraw/zinc/78/49/21/921784921.db2.gz WNTBKEASHPZJOT-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001377200098 921784940 /nfs/dbraw/zinc/78/49/40/921784940.db2.gz WNTBKEASHPZJOT-OUAUKWLOSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1 ZINC001377199308 921785161 /nfs/dbraw/zinc/78/51/61/921785161.db2.gz BQGLFFVLEVVBEQ-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1 ZINC001377199308 921785175 /nfs/dbraw/zinc/78/51/75/921785175.db2.gz BQGLFFVLEVVBEQ-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001377214997 921785824 /nfs/dbraw/zinc/78/58/24/921785824.db2.gz AEENMIKDBPMJKR-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001377214997 921785834 /nfs/dbraw/zinc/78/58/34/921785834.db2.gz AEENMIKDBPMJKR-SECBINFHSA-N 1 1 307.354 -1.355 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377221861 921787332 /nfs/dbraw/zinc/78/73/32/921787332.db2.gz ILYBGAPRNXOSLQ-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001377223573 921788102 /nfs/dbraw/zinc/78/81/02/921788102.db2.gz KJUKWTVOYQOBGT-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001377223573 921788115 /nfs/dbraw/zinc/78/81/15/921788115.db2.gz KJUKWTVOYQOBGT-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377223400 921789107 /nfs/dbraw/zinc/78/91/07/921789107.db2.gz JNPPVQFPJBXRQR-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO Cc1ccnn1CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377223400 921789119 /nfs/dbraw/zinc/78/91/19/921789119.db2.gz JNPPVQFPJBXRQR-UHFFFAOYSA-N 1 1 317.415 -1.211 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377233201 921790289 /nfs/dbraw/zinc/79/02/89/921790289.db2.gz SDVCCBJYWHVDBH-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001377233201 921790301 /nfs/dbraw/zinc/79/03/01/921790301.db2.gz SDVCCBJYWHVDBH-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001377247132 921790468 /nfs/dbraw/zinc/79/04/68/921790468.db2.gz ITOGFZLISAROTP-WPRPVWTQSA-N 1 1 308.342 -1.416 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001377234993 921790746 /nfs/dbraw/zinc/79/07/46/921790746.db2.gz GTTRXXBKVBTXHP-SNVBAGLBSA-N 1 1 323.353 -1.325 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001377234993 921790758 /nfs/dbraw/zinc/79/07/58/921790758.db2.gz GTTRXXBKVBTXHP-SNVBAGLBSA-N 1 1 323.353 -1.325 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)nn21 ZINC001377250902 921791457 /nfs/dbraw/zinc/79/14/57/921791457.db2.gz LCZHAJBRQOSBDM-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1ccnc2nc(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)nn21 ZINC001377250902 921791465 /nfs/dbraw/zinc/79/14/65/921791465.db2.gz LCZHAJBRQOSBDM-VIFPVBQESA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)C[C@H]2CCOC2)c(=O)n1C ZINC001377253967 921792398 /nfs/dbraw/zinc/79/23/98/921792398.db2.gz FZFUMSQPDGFEGU-GFCCVEGCSA-N 1 1 311.386 -1.025 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377254261 921792790 /nfs/dbraw/zinc/79/27/90/921792790.db2.gz MMEVQQIUOLGEQP-GHMZBOCLSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377254261 921792804 /nfs/dbraw/zinc/79/28/04/921792804.db2.gz MMEVQQIUOLGEQP-GHMZBOCLSA-N 1 1 309.370 -1.096 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001377264509 921794255 /nfs/dbraw/zinc/79/42/55/921794255.db2.gz BMGBKRGEUHHUQW-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795547 /nfs/dbraw/zinc/79/55/47/921795547.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)[C@@H](C)C(=O)NC)C1 ZINC001377266869 921795556 /nfs/dbraw/zinc/79/55/56/921795556.db2.gz OTPRQYXGICPYPA-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)CCn1cncn1 ZINC001377278581 921798155 /nfs/dbraw/zinc/79/81/55/921798155.db2.gz VMOIKRGOWUVYHY-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001377260992 921796188 /nfs/dbraw/zinc/79/61/88/921796188.db2.gz RTURVFUTCLMBQO-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001377268753 921796952 /nfs/dbraw/zinc/79/69/52/921796952.db2.gz YLUIDWLUUQZAQT-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001377268753 921796965 /nfs/dbraw/zinc/79/69/65/921796965.db2.gz YLUIDWLUUQZAQT-NSHDSACASA-N 1 1 321.381 -1.006 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001377286887 921798933 /nfs/dbraw/zinc/79/89/33/921798933.db2.gz LDPDOPAPFARFCE-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001377286887 921798941 /nfs/dbraw/zinc/79/89/41/921798941.db2.gz LDPDOPAPFARFCE-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@H](O)COC ZINC001377325530 921800969 /nfs/dbraw/zinc/80/09/69/921800969.db2.gz MGIJDKFFHSRASX-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@H](O)COC ZINC001377325530 921800983 /nfs/dbraw/zinc/80/09/83/921800983.db2.gz MGIJDKFFHSRASX-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CNC(=O)NC ZINC001377328220 921802223 /nfs/dbraw/zinc/80/22/23/921802223.db2.gz KTGCDNWBXKGIGE-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)CN1CCOCC1 ZINC001377300224 921802437 /nfs/dbraw/zinc/80/24/37/921802437.db2.gz IQSCPMCZZAAZLV-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)CN1CCOCC1 ZINC001377300224 921802447 /nfs/dbraw/zinc/80/24/47/921802447.db2.gz IQSCPMCZZAAZLV-UHFFFAOYSA-N 1 1 300.403 -1.107 20 0 DAADMO COCCC(=O)N1CCN(C2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001377330819 921803008 /nfs/dbraw/zinc/80/30/08/921803008.db2.gz YJTVBQCAHVGFLH-AWEZNQCLSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)C[C@@H](O)COC ZINC001377294663 921803239 /nfs/dbraw/zinc/80/32/39/921803239.db2.gz NOTCVWKITFLLMB-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001377335351 921805501 /nfs/dbraw/zinc/80/55/01/921805501.db2.gz AFWTWMNYLDDIDW-GHMZBOCLSA-N 1 1 321.385 -1.115 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn2nccc2c1=O)CC(N)=O ZINC001377341523 921806422 /nfs/dbraw/zinc/80/64/22/921806422.db2.gz RXYHARNQYAZEQJ-UHFFFAOYSA-N 1 1 321.341 -2.186 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn2nccc2c1=O)CC(N)=O ZINC001377341523 921806426 /nfs/dbraw/zinc/80/64/26/921806426.db2.gz RXYHARNQYAZEQJ-UHFFFAOYSA-N 1 1 321.341 -2.186 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001377369078 921808264 /nfs/dbraw/zinc/80/82/64/921808264.db2.gz UTFXZFZGOBXVOK-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2nc[nH]n2)CC1 ZINC001377355137 921809085 /nfs/dbraw/zinc/80/90/85/921809085.db2.gz OPJLRRSXOFQXBQ-UHFFFAOYSA-N 1 1 321.345 -1.915 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnccc1=O)[C@@H](C)C(N)=O ZINC001377350686 921804236 /nfs/dbraw/zinc/80/42/36/921804236.db2.gz KOZRFUWNAJLFRX-NSHDSACASA-N 1 1 309.370 -1.055 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnccc1=O)[C@@H](C)C(N)=O ZINC001377350686 921804253 /nfs/dbraw/zinc/80/42/53/921804253.db2.gz KOZRFUWNAJLFRX-NSHDSACASA-N 1 1 309.370 -1.055 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C[C@H](O)COC ZINC001377337903 921804353 /nfs/dbraw/zinc/80/43/53/921804353.db2.gz CXELFFFTWDKRMN-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001377333525 921804742 /nfs/dbraw/zinc/80/47/42/921804742.db2.gz QRSWZUQBUKHBDI-GFCCVEGCSA-N 1 1 324.385 -1.746 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC(C)C ZINC001377344873 921805321 /nfs/dbraw/zinc/80/53/21/921805321.db2.gz VYLAYFLXWCOUAG-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NC(C)C ZINC001377344873 921805331 /nfs/dbraw/zinc/80/53/31/921805331.db2.gz VYLAYFLXWCOUAG-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(O)CCN(C(=O)c2ccon2)CC1 ZINC001377340757 921805355 /nfs/dbraw/zinc/80/53/55/921805355.db2.gz KZLPNTBLXKZMKG-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)nn1 ZINC000971483115 916087031 /nfs/dbraw/zinc/08/70/31/916087031.db2.gz ALXIKXZPSYPKRY-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000971489675 916087087 /nfs/dbraw/zinc/08/70/87/916087087.db2.gz OSGIZDORNZXVDC-NXEZZACHSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000971480988 916087148 /nfs/dbraw/zinc/08/71/48/916087148.db2.gz CLWLWHHEIHUIEM-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C2)nn1 ZINC000971522456 916088212 /nfs/dbraw/zinc/08/82/12/916088212.db2.gz MCXLZCYQMGIDLP-QWRGUYRKSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1)c1nnnn1C ZINC001022032641 916096797 /nfs/dbraw/zinc/09/67/97/916096797.db2.gz GSMVSGUFTJKKBI-XHNCKOQMSA-N 1 1 305.346 -1.050 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)c1nnnn1C ZINC001022035797 916097131 /nfs/dbraw/zinc/09/71/31/916097131.db2.gz BAHJULWICBDIKT-HXFLIBJXSA-N 1 1 309.330 -1.384 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001022021427 916097191 /nfs/dbraw/zinc/09/71/91/916097191.db2.gz TZLUTQCIKCZBBB-PHIMTYICSA-N 1 1 302.342 -1.020 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1)c1nnnn1C ZINC001022032640 916097452 /nfs/dbraw/zinc/09/74/52/916097452.db2.gz GSMVSGUFTJKKBI-HLTSFMKQSA-N 1 1 305.346 -1.050 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C(F)F ZINC001083298538 916104464 /nfs/dbraw/zinc/10/44/64/916104464.db2.gz IEJIFEDFOUYFDU-AEJSXWLSSA-N 1 1 304.297 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C(F)F ZINC001083298538 916104471 /nfs/dbraw/zinc/10/44/71/916104471.db2.gz IEJIFEDFOUYFDU-AEJSXWLSSA-N 1 1 304.297 -1.330 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1Cc1nnnn1C ZINC001088505782 916105799 /nfs/dbraw/zinc/10/57/99/916105799.db2.gz UVXWJNAKQQKBOQ-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1Cc1nnnn1C ZINC001088505782 916105814 /nfs/dbraw/zinc/10/58/14/916105814.db2.gz UVXWJNAKQQKBOQ-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CC(=O)N(C)C ZINC001088506431 916107856 /nfs/dbraw/zinc/10/78/56/916107856.db2.gz UMADNWZNEGMWMQ-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CC(=O)N(C)C ZINC001088506431 916107871 /nfs/dbraw/zinc/10/78/71/916107871.db2.gz UMADNWZNEGMWMQ-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@@H+]1CC(=O)N(C)C ZINC001088506430 916108158 /nfs/dbraw/zinc/10/81/58/916108158.db2.gz UMADNWZNEGMWMQ-AGIUHOORSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CC(=O)N(C)C ZINC001088506430 916108165 /nfs/dbraw/zinc/10/81/65/916108165.db2.gz UMADNWZNEGMWMQ-AGIUHOORSA-N 1 1 312.414 -1.016 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105146860 916114351 /nfs/dbraw/zinc/11/43/51/916114351.db2.gz MLJZJTOVONBERE-SECBINFHSA-N 1 1 310.358 -1.732 20 0 DAADMO O=C(Cn1cnnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105152990 916117536 /nfs/dbraw/zinc/11/75/36/916117536.db2.gz KWEUBDOSNRXJFA-UHFFFAOYSA-N 1 1 307.318 -2.570 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105172066 916118317 /nfs/dbraw/zinc/11/83/17/916118317.db2.gz YVOCEWMAVJGNFZ-UHFFFAOYSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(Cn1cccn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105155785 916118522 /nfs/dbraw/zinc/11/85/22/916118522.db2.gz XHDBJVPROJCVJD-UHFFFAOYSA-N 1 1 305.342 -1.360 20 0 DAADMO O=C(CCn1cncn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105161740 916119549 /nfs/dbraw/zinc/11/95/49/916119549.db2.gz CRWABKRSJPXCPP-UHFFFAOYSA-N 1 1 320.357 -1.575 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(C)=O)C2)nn1 ZINC001105170212 916119745 /nfs/dbraw/zinc/11/97/45/916119745.db2.gz ZKYCQJOLADSWJS-UHFFFAOYSA-N 1 1 324.385 -1.124 20 0 DAADMO Cc1cnn(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)c1 ZINC001105178905 916120956 /nfs/dbraw/zinc/12/09/56/916120956.db2.gz XVVPJUIGNQSGAX-UHFFFAOYSA-N 1 1 319.369 -1.052 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105192012 916121188 /nfs/dbraw/zinc/12/11/88/916121188.db2.gz JIPJZZNAWKABJX-ZDUSSCGKSA-N 1 1 308.386 -1.163 20 0 DAADMO Cn1cc(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)cn1 ZINC001105185868 916122697 /nfs/dbraw/zinc/12/26/97/916122697.db2.gz VOIYSJZXIXQUII-UHFFFAOYSA-N 1 1 319.369 -1.281 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114360786 916129865 /nfs/dbraw/zinc/12/98/65/916129865.db2.gz DZANNVZPQTYSKR-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC001114360786 916129873 /nfs/dbraw/zinc/12/98/73/916129873.db2.gz DZANNVZPQTYSKR-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304843 916153216 /nfs/dbraw/zinc/15/32/16/916153216.db2.gz NMIFRJQZVNYJRW-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187304843 916153225 /nfs/dbraw/zinc/15/32/25/916153225.db2.gz NMIFRJQZVNYJRW-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001187304877 916153347 /nfs/dbraw/zinc/15/33/47/916153347.db2.gz OQQAEYZQCKZQEW-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(OC)n1 ZINC001190253380 916156963 /nfs/dbraw/zinc/15/69/63/916156963.db2.gz UDDJVUAPQYZVPR-GARJFASQSA-N 1 1 308.342 -1.769 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247618 916157470 /nfs/dbraw/zinc/15/74/70/916157470.db2.gz RLWIFUINOHAWKB-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247629 916157561 /nfs/dbraw/zinc/15/75/61/916157561.db2.gz RLWIFUINOHAWKB-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1n[nH]cc1F ZINC001195932632 916160079 /nfs/dbraw/zinc/16/00/79/916160079.db2.gz UPJWHBYFMSNTRY-NXEZZACHSA-N 1 1 302.306 -1.667 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1n[nH]cc1F ZINC001195932632 916160091 /nfs/dbraw/zinc/16/00/91/916160091.db2.gz UPJWHBYFMSNTRY-NXEZZACHSA-N 1 1 302.306 -1.667 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001195540783 916160214 /nfs/dbraw/zinc/16/02/14/916160214.db2.gz HKMGILAILGFLIJ-UHFFFAOYSA-N 1 1 313.358 -1.473 20 0 DAADMO Cn1cc(C(=O)N2CC([N@@H+](C)[C@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC001195541756 916161546 /nfs/dbraw/zinc/16/15/46/916161546.db2.gz BGYZVRQMQSSEPB-JTQLQIEISA-N 1 1 322.365 -1.371 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn[nH]2)CCCO1 ZINC001199904171 916166857 /nfs/dbraw/zinc/16/68/57/916166857.db2.gz OJJSGDVJRWONBM-SECBINFHSA-N 1 1 324.341 -1.575 20 0 DAADMO COC(=O)CC[C@H](NC[C@H](O)C[NH+]1CCOCC1)C(=O)OC ZINC001251035151 916171696 /nfs/dbraw/zinc/17/16/96/916171696.db2.gz HPFHQQHDJSSDRK-RYUDHWBXSA-N 1 1 318.370 -1.236 20 0 DAADMO COCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251024589 916171895 /nfs/dbraw/zinc/17/18/95/916171895.db2.gz PFLNANQFUNOYDZ-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001266743556 916180900 /nfs/dbraw/zinc/18/09/00/916180900.db2.gz OQKPHVXOZDYZQI-STQMWFEESA-N 1 1 323.397 -1.052 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266746583 916181285 /nfs/dbraw/zinc/18/12/85/916181285.db2.gz HEYAZQZWJILAIL-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC(N)=O)C1 ZINC001266746583 916181289 /nfs/dbraw/zinc/18/12/89/916181289.db2.gz HEYAZQZWJILAIL-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001266742494 916181313 /nfs/dbraw/zinc/18/13/13/916181313.db2.gz APYQKSMDVTURST-UWVGGRQHSA-N 1 1 310.354 -1.505 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C(C)(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822238 916183515 /nfs/dbraw/zinc/18/35/15/916183515.db2.gz QZNFVUOPNCNMAA-VIFPVBQESA-N 1 1 324.389 -1.343 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001266752455 916184889 /nfs/dbraw/zinc/18/48/89/916184889.db2.gz RYPHGTLMVQLURI-LBPRGKRZSA-N 1 1 316.402 -1.248 20 0 DAADMO C[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028426 916188764 /nfs/dbraw/zinc/18/87/64/916188764.db2.gz UMDWBQPHTOINIZ-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001272028426 916188766 /nfs/dbraw/zinc/18/87/66/916188766.db2.gz UMDWBQPHTOINIZ-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001273538579 916190874 /nfs/dbraw/zinc/19/08/74/916190874.db2.gz YYVWAYIZNXVWMD-TUAOUCFPSA-N 1 1 312.370 -2.095 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001311559518 916206368 /nfs/dbraw/zinc/20/63/68/916206368.db2.gz UMIPCWSZRWMREW-SNVBAGLBSA-N 1 1 315.374 -1.116 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1COCC[C@H]1O ZINC001313008298 916211375 /nfs/dbraw/zinc/21/13/75/916211375.db2.gz GUOBRASHLNORAL-GRYCIOLGSA-N 1 1 314.386 -1.225 20 0 DAADMO CN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1COC[C@H]1O ZINC001313010666 916211810 /nfs/dbraw/zinc/21/18/10/916211810.db2.gz ROUNUYJVDIJFDE-QJPTWQEYSA-N 1 1 314.386 -1.273 20 0 DAADMO CN1CC[C@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1=O ZINC001313441828 916214533 /nfs/dbraw/zinc/21/45/33/916214533.db2.gz ZTQGXLTUBZHXJK-RYUDHWBXSA-N 1 1 320.393 -1.113 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001313441537 916214887 /nfs/dbraw/zinc/21/48/87/916214887.db2.gz OTXGNAOSWGMMRP-GFCCVEGCSA-N 1 1 318.381 -1.015 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001313441537 916214905 /nfs/dbraw/zinc/21/49/05/916214905.db2.gz OTXGNAOSWGMMRP-GFCCVEGCSA-N 1 1 318.381 -1.015 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1COCCO1 ZINC001316759873 916220028 /nfs/dbraw/zinc/22/00/28/916220028.db2.gz CNMMTKKHAWMONQ-LLVKDONJSA-N 1 1 303.359 -1.706 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1COCCO1 ZINC001316759873 916220045 /nfs/dbraw/zinc/22/00/45/916220045.db2.gz CNMMTKKHAWMONQ-LLVKDONJSA-N 1 1 303.359 -1.706 20 0 DAADMO CC(=O)NCC(=O)N(C)CCOCC[N@@H+](C)[C@H]1CCNC1=O ZINC001316761187 916221218 /nfs/dbraw/zinc/22/12/18/916221218.db2.gz YCMSYDGQCBSVRR-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001316766388 916221350 /nfs/dbraw/zinc/22/13/50/916221350.db2.gz XAZMRMUWXBZSQX-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001316766388 916221370 /nfs/dbraw/zinc/22/13/70/916221370.db2.gz XAZMRMUWXBZSQX-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001316766048 916221614 /nfs/dbraw/zinc/22/16/14/916221614.db2.gz GPXPBQNHVZYMKT-GFCCVEGCSA-N 1 1 300.403 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001316762962 916221758 /nfs/dbraw/zinc/22/17/58/916221758.db2.gz MYHZIMADLPYHAM-ZJUUUORDSA-N 1 1 315.374 -2.052 20 0 DAADMO CCNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001316745905 916222305 /nfs/dbraw/zinc/22/23/05/916222305.db2.gz ZPAVFMTWIYXYFG-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001316745905 916222326 /nfs/dbraw/zinc/22/23/26/916222326.db2.gz ZPAVFMTWIYXYFG-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO O=C(NCc1nc(C[NH2+]CCF)cc(=O)[nH]1)[C@@H]1CNC(=O)N1 ZINC001316715708 916222426 /nfs/dbraw/zinc/22/24/26/916222426.db2.gz NXBZOIGLFOIUOC-QMMMGPOBSA-N 1 1 312.305 -1.461 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)c1cnn(C)c1N ZINC001316760982 916222754 /nfs/dbraw/zinc/22/27/54/916222754.db2.gz KAUIWQJMLJVDKK-UHFFFAOYSA-N 1 1 312.374 -1.492 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)c1cnn(C)c1N ZINC001316760982 916222776 /nfs/dbraw/zinc/22/27/76/916222776.db2.gz KAUIWQJMLJVDKK-UHFFFAOYSA-N 1 1 312.374 -1.492 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001316743116 916223424 /nfs/dbraw/zinc/22/34/24/916223424.db2.gz BMGJOJFSHCVUFP-WDEREUQCSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001316743116 916223443 /nfs/dbraw/zinc/22/34/43/916223443.db2.gz BMGJOJFSHCVUFP-WDEREUQCSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[N@@H+](C)CCOCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001316762462 916223898 /nfs/dbraw/zinc/22/38/98/916223898.db2.gz BSDNHWCEGBPMOP-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001316742997 916224454 /nfs/dbraw/zinc/22/44/54/916224454.db2.gz ARKAZTNNRJTIBB-CYBMUJFWSA-N 1 1 322.365 -1.296 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001316742997 916224474 /nfs/dbraw/zinc/22/44/74/916224474.db2.gz ARKAZTNNRJTIBB-CYBMUJFWSA-N 1 1 322.365 -1.296 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCOCC1)CC(=O)N1CCC1 ZINC001316820282 916224923 /nfs/dbraw/zinc/22/49/23/916224923.db2.gz VFIMMRJAHLLOQM-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001316820349 916225179 /nfs/dbraw/zinc/22/51/79/916225179.db2.gz VSWFYIXEIHHCGO-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)CC(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001316817843 916226590 /nfs/dbraw/zinc/22/65/90/916226590.db2.gz QUHOPUWKBWLHEX-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001316795392 916226700 /nfs/dbraw/zinc/22/67/00/916226700.db2.gz OKTIIZSGOQNPDU-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001316795392 916226716 /nfs/dbraw/zinc/22/67/16/916226716.db2.gz OKTIIZSGOQNPDU-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO C[N@@H+](CCCNC(=O)CCNS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001316824667 916229136 /nfs/dbraw/zinc/22/91/36/916229136.db2.gz AGAYOPZCKSFSJF-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)CC(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001316817846 916229193 /nfs/dbraw/zinc/22/91/93/916229193.db2.gz QUHOPUWKBWLHEX-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO C[N@@H+](CCCNC(=O)CCNS(C)(=O)=O)[C@H]1CCNC1=O ZINC001316824659 916230438 /nfs/dbraw/zinc/23/04/38/916230438.db2.gz AGAYOPZCKSFSJF-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1cc[n+]([O-])cc1)CC(=O)NC(N)=O ZINC001316882031 916230816 /nfs/dbraw/zinc/23/08/16/916230816.db2.gz GAGPCGKPDNXNHI-UHFFFAOYSA-N 1 1 323.353 -1.043 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001316852659 916231365 /nfs/dbraw/zinc/23/13/65/916231365.db2.gz LWCKPFFPAOOMHH-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1[nH]nnc1C ZINC001316840327 916232035 /nfs/dbraw/zinc/23/20/35/916232035.db2.gz NZCUITCDPJMUQK-UHFFFAOYSA-N 1 1 311.346 -1.380 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001316867373 916232642 /nfs/dbraw/zinc/23/26/42/916232642.db2.gz KBXDVVDAKVRBTM-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001316856922 916233186 /nfs/dbraw/zinc/23/31/86/916233186.db2.gz MSTMBQIGXIOSNE-UHFFFAOYSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)c1nccnc1C(N)=O ZINC001316866906 916234030 /nfs/dbraw/zinc/23/40/30/916234030.db2.gz HYLCIQLPDHVPBC-VIFPVBQESA-N 1 1 322.369 -1.238 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001316852656 916236093 /nfs/dbraw/zinc/23/60/93/916236093.db2.gz LWCKPFFPAOOMHH-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1C(=O)CCC1=O)CC(=O)N1CCC1 ZINC001316868516 916236197 /nfs/dbraw/zinc/23/61/97/916236197.db2.gz ZIWCLURZSQUVBF-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO NC(=O)C[N@@H+](CCCNC(=O)C(=O)NCC(F)F)C1CC1 ZINC001316919404 916237245 /nfs/dbraw/zinc/23/72/45/916237245.db2.gz DKEGEKFGCFPGBR-UHFFFAOYSA-N 1 1 306.313 -1.176 20 0 DAADMO CC[N@@H+](CCCNC(=O)CN1C(=O)CNC1=O)CC(=O)NC ZINC001316907969 916237376 /nfs/dbraw/zinc/23/73/76/916237376.db2.gz SELUIBRLORPMNA-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO O=C(CCn1cncn1)NCCC[NH+]1CCN(CCO)CC1 ZINC001316952397 916240072 /nfs/dbraw/zinc/24/00/72/916240072.db2.gz HDOSUVZPXONVBQ-UHFFFAOYSA-N 1 1 310.402 -1.216 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCO)CC1)[C@H]1CCNC(=O)C1 ZINC001316956029 916240332 /nfs/dbraw/zinc/24/03/32/916240332.db2.gz OEMBYZZCLXYHIV-ZDUSSCGKSA-N 1 1 312.414 -1.371 20 0 DAADMO COCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001316943474 916240565 /nfs/dbraw/zinc/24/05/65/916240565.db2.gz FWUCKQFBPSRCFQ-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C[N@@H+](CCCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001316920846 916240787 /nfs/dbraw/zinc/24/07/87/916240787.db2.gz KLQXDOTUIPISGH-UHFFFAOYSA-N 1 1 323.353 -1.595 20 0 DAADMO O=C(NCCC[NH+]1CCN(CCCO)CC1)[C@H]1CNC(=O)N1 ZINC001316959564 916243071 /nfs/dbraw/zinc/24/30/71/916243071.db2.gz MEYPSKVTINYCLY-GFCCVEGCSA-N 1 1 313.402 -1.826 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)c1ccnnc1 ZINC001316967959 916245314 /nfs/dbraw/zinc/24/53/14/916245314.db2.gz JRJKRAUPSPDRLY-UHFFFAOYSA-N 1 1 323.397 -1.167 20 0 DAADMO CCc1noc(CN2CC[NH+](CCCNC(=O)C(N)=O)CC2)n1 ZINC001316959654 916246028 /nfs/dbraw/zinc/24/60/28/916246028.db2.gz OIYZNFXWYATVSP-UHFFFAOYSA-N 1 1 324.385 -1.259 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)[C@@H]1CCCO1 ZINC001316964307 916246137 /nfs/dbraw/zinc/24/61/37/916246137.db2.gz ZPYRUJCBYXNMFC-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@@H](O)CN1CC[NH+](CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001316959255 916246601 /nfs/dbraw/zinc/24/66/01/916246601.db2.gz FZXKMQYEMZFWPY-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)NC1=O ZINC001316983860 916247759 /nfs/dbraw/zinc/24/77/59/916247759.db2.gz ALXZPFLPUYZXON-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)NC1=O ZINC001316983861 916248412 /nfs/dbraw/zinc/24/84/12/916248412.db2.gz ALXZPFLPUYZXON-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001316977444 916250235 /nfs/dbraw/zinc/25/02/35/916250235.db2.gz SZZMPYOGEOMEKK-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316976552 916252630 /nfs/dbraw/zinc/25/26/30/916252630.db2.gz SLFSJXGXCSFMDS-UWVGGRQHSA-N 1 1 310.354 -1.492 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316976552 916252650 /nfs/dbraw/zinc/25/26/50/916252650.db2.gz SLFSJXGXCSFMDS-UWVGGRQHSA-N 1 1 310.354 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001316994968 916254428 /nfs/dbraw/zinc/25/44/28/916254428.db2.gz MMSUITOYFDXLPI-GHMZBOCLSA-N 1 1 321.399 -2.123 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317024537 916256518 /nfs/dbraw/zinc/25/65/18/916256518.db2.gz FMUUFZVUCMBJRV-GHMZBOCLSA-N 1 1 306.370 -1.064 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001317087783 916263870 /nfs/dbraw/zinc/26/38/70/916263870.db2.gz QATDGXHFOLJTOY-KYZUINATSA-N 1 1 316.387 -1.406 20 0 DAADMO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001317087783 916263891 /nfs/dbraw/zinc/26/38/91/916263891.db2.gz QATDGXHFOLJTOY-KYZUINATSA-N 1 1 316.387 -1.406 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001317093648 916267795 /nfs/dbraw/zinc/26/77/95/916267795.db2.gz YLNXVENBPYEMIM-NQMVMOMDSA-N 1 1 322.325 -1.205 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001317129336 916270621 /nfs/dbraw/zinc/27/06/21/916270621.db2.gz WCIMKYQVIMZWNN-GFCCVEGCSA-N 1 1 322.427 -1.132 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001317129336 916270639 /nfs/dbraw/zinc/27/06/39/916270639.db2.gz WCIMKYQVIMZWNN-GFCCVEGCSA-N 1 1 322.427 -1.132 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001317129412 916270872 /nfs/dbraw/zinc/27/08/72/916270872.db2.gz WCIMKYQVIMZWNN-LBPRGKRZSA-N 1 1 322.427 -1.132 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001317129412 916270887 /nfs/dbraw/zinc/27/08/87/916270887.db2.gz WCIMKYQVIMZWNN-LBPRGKRZSA-N 1 1 322.427 -1.132 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001317181681 916272516 /nfs/dbraw/zinc/27/25/16/916272516.db2.gz VHZLQEVTRDKAHE-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001317181677 916273350 /nfs/dbraw/zinc/27/33/50/916273350.db2.gz VHZLQEVTRDKAHE-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](NC(=O)C(N)=O)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001317206509 916275063 /nfs/dbraw/zinc/27/50/63/916275063.db2.gz DNTBSRMBRABSGU-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CNC(=O)CCN1C(=O)CCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001317249034 916279502 /nfs/dbraw/zinc/27/95/02/916279502.db2.gz CWJMCXKERPYCIQ-JTQLQIEISA-N 1 1 322.369 -1.052 20 0 DAADMO C[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001317285668 916281364 /nfs/dbraw/zinc/28/13/64/916281364.db2.gz YYKRMJHKPHZNAL-BDAKNGLRSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001317285669 916281813 /nfs/dbraw/zinc/28/18/13/916281813.db2.gz YYKRMJHKPHZNAL-DTWKUNHWSA-N 1 1 323.357 -1.602 20 0 DAADMO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1cnn(C)n1 ZINC001317280895 916283549 /nfs/dbraw/zinc/28/35/49/916283549.db2.gz AHHNYKXOLUCPJW-VIFPVBQESA-N 1 1 323.357 -1.697 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001317316916 916289916 /nfs/dbraw/zinc/28/99/16/916289916.db2.gz JLZLXPKGWMIRBC-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001317409683 916295187 /nfs/dbraw/zinc/29/51/87/916295187.db2.gz SSPMRZDCMXONAN-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001317409683 916295204 /nfs/dbraw/zinc/29/52/04/916295204.db2.gz SSPMRZDCMXONAN-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1ccnn1)CCN1C(=O)CCC1=O ZINC001317445092 916296331 /nfs/dbraw/zinc/29/63/31/916296331.db2.gz QUFZPMZUBMTXHM-UHFFFAOYSA-N 1 1 322.369 -1.135 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1cc[nH]n1)CCN1C(=O)CNC1=O ZINC001317441116 916296727 /nfs/dbraw/zinc/29/67/27/916296727.db2.gz ARXCZMHWHIPPDC-UHFFFAOYSA-N 1 1 308.342 -1.448 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448374 916298256 /nfs/dbraw/zinc/29/82/56/916298256.db2.gz LKGVCRGRKKRXMA-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O)N1C(=O)CCC1=O ZINC001317448374 916298281 /nfs/dbraw/zinc/29/82/81/916298281.db2.gz LKGVCRGRKKRXMA-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317441700 916298445 /nfs/dbraw/zinc/29/84/45/916298445.db2.gz DPFRKYZISMXURH-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001317441700 916298465 /nfs/dbraw/zinc/29/84/65/916298465.db2.gz DPFRKYZISMXURH-SNVBAGLBSA-N 1 1 312.370 -1.244 20 0 DAADMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)C[C@H](O)Cn1cccn1 ZINC001317459775 916299563 /nfs/dbraw/zinc/29/95/63/916299563.db2.gz QBXORWBDXPJHKH-NSHDSACASA-N 1 1 309.370 -1.443 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317461586 916300157 /nfs/dbraw/zinc/30/01/57/916300157.db2.gz YSXCAVBHUHZMPV-QWRGUYRKSA-N 1 1 312.370 -1.246 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317461586 916300176 /nfs/dbraw/zinc/30/01/76/916300176.db2.gz YSXCAVBHUHZMPV-QWRGUYRKSA-N 1 1 312.370 -1.246 20 0 DAADMO C[N@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CCC(=O)NC1=O ZINC001317469885 916301179 /nfs/dbraw/zinc/30/11/79/916301179.db2.gz KKUUWBNRLZQJCX-JTQLQIEISA-N 1 1 321.337 -1.420 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)[C@H]1CCC(=O)NC1=O ZINC001317469885 916301198 /nfs/dbraw/zinc/30/11/98/916301198.db2.gz KKUUWBNRLZQJCX-JTQLQIEISA-N 1 1 321.337 -1.420 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCN1C(=O)CNC1=O ZINC001317458722 916301329 /nfs/dbraw/zinc/30/13/29/916301329.db2.gz QCJNWHVKVPJODR-QMMMGPOBSA-N 1 1 312.330 -2.732 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)CCn1cccn1 ZINC001317465117 916301698 /nfs/dbraw/zinc/30/16/98/916301698.db2.gz JXYMXBWHBSZWMI-UHFFFAOYSA-N 1 1 307.354 -1.016 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459073 916302650 /nfs/dbraw/zinc/30/26/50/916302650.db2.gz NKMZDPWWAIOBGG-QWRGUYRKSA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459073 916302671 /nfs/dbraw/zinc/30/26/71/916302671.db2.gz NKMZDPWWAIOBGG-QWRGUYRKSA-N 1 1 319.427 -1.149 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)CC1)CCOCCO ZINC001317454574 916303287 /nfs/dbraw/zinc/30/32/87/916303287.db2.gz LZWXCSHIAYBGRE-LBPRGKRZSA-N 1 1 301.387 -1.040 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459056 916304711 /nfs/dbraw/zinc/30/47/11/916304711.db2.gz NKMZDPWWAIOBGG-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459056 916304733 /nfs/dbraw/zinc/30/47/33/916304733.db2.gz NKMZDPWWAIOBGG-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CC[N@H+](CCNC(=O)CC(N)=O)CC(=O)N1CCOCC1 ZINC001317477447 916307352 /nfs/dbraw/zinc/30/73/52/916307352.db2.gz KNHQGBOQVVYYML-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(N)=O)CC(=O)N1CCOCC1 ZINC001317477447 916307373 /nfs/dbraw/zinc/30/73/73/916307373.db2.gz KNHQGBOQVVYYML-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)nn1 ZINC001317472991 916309646 /nfs/dbraw/zinc/30/96/46/916309646.db2.gz OHESGIXUVODVGN-NSHDSACASA-N 1 1 322.369 -1.399 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)nn1 ZINC001317472991 916309665 /nfs/dbraw/zinc/30/96/65/916309665.db2.gz OHESGIXUVODVGN-NSHDSACASA-N 1 1 322.369 -1.399 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001317487653 916309773 /nfs/dbraw/zinc/30/97/73/916309773.db2.gz BBLHDGHARTZRJE-JTQLQIEISA-N 1 1 312.370 -1.259 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C1=O)C[C@H](O)COC ZINC001317483324 916310319 /nfs/dbraw/zinc/31/03/19/916310319.db2.gz DGJBKAJWTRCLGD-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC001317500004 916313215 /nfs/dbraw/zinc/31/32/15/916313215.db2.gz UABXNGWFLBUNHF-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317507665 916316786 /nfs/dbraw/zinc/31/67/86/916316786.db2.gz JZKSPKQQSRZQBU-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317507665 916316808 /nfs/dbraw/zinc/31/68/08/916316808.db2.gz JZKSPKQQSRZQBU-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001317532475 916319287 /nfs/dbraw/zinc/31/92/87/916319287.db2.gz HYAUQPJXKISPMZ-JTQLQIEISA-N 1 1 323.353 -2.150 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001317531246 916319460 /nfs/dbraw/zinc/31/94/60/916319460.db2.gz BCNDCTYFVIDZHL-RYUDHWBXSA-N 1 1 308.382 -1.161 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317534740 916319520 /nfs/dbraw/zinc/31/95/20/916319520.db2.gz KTFYPKLRSZCMTQ-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1ncc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCC(=O)NC2=O)n1 ZINC001317557815 916320468 /nfs/dbraw/zinc/32/04/68/916320468.db2.gz MQAKVTMRHQXBLA-NSHDSACASA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCC(=O)NC2=O)n1 ZINC001317557815 916320492 /nfs/dbraw/zinc/32/04/92/916320492.db2.gz MQAKVTMRHQXBLA-NSHDSACASA-N 1 1 320.353 -1.186 20 0 DAADMO NC(=O)C1(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001317557065 916323724 /nfs/dbraw/zinc/32/37/24/916323724.db2.gz VDTXALZCAZFBMM-SNVBAGLBSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001317557065 916323741 /nfs/dbraw/zinc/32/37/41/916323741.db2.gz VDTXALZCAZFBMM-SNVBAGLBSA-N 1 1 322.365 -1.362 20 0 DAADMO C[C@H](C(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550870 916323859 /nfs/dbraw/zinc/32/38/59/916323859.db2.gz CJGSIKKOKIJRGU-VHSXEESVSA-N 1 1 324.381 -1.022 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1)N1C(=O)CCC1=O ZINC001317550870 916323879 /nfs/dbraw/zinc/32/38/79/916323879.db2.gz CJGSIKKOKIJRGU-VHSXEESVSA-N 1 1 324.381 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317534738 916323921 /nfs/dbraw/zinc/32/39/21/916323921.db2.gz KTFYPKLRSZCMTQ-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)Cn1ncn(C)c1=O ZINC001317603125 916331379 /nfs/dbraw/zinc/33/13/79/916331379.db2.gz GHCPSAMCDIHTRZ-UHFFFAOYSA-N 1 1 308.346 -2.042 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001317607447 916336143 /nfs/dbraw/zinc/33/61/43/916336143.db2.gz LPLFKHCOYHPTEA-SNVBAGLBSA-N 1 1 315.399 -1.202 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001317627288 916338902 /nfs/dbraw/zinc/33/89/02/916338902.db2.gz DZHAUHXQKZACNM-WDEREUQCSA-N 1 1 324.385 -1.121 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)C2CC(=O)NC(=O)C2)[nH]1 ZINC001317640479 916341714 /nfs/dbraw/zinc/34/17/14/916341714.db2.gz SAAGDNLNDHNENS-UHFFFAOYSA-N 1 1 308.342 -1.286 20 0 DAADMO CN(CC[NH2+]Cc1nc(C2CC2)nn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001317633182 916341748 /nfs/dbraw/zinc/34/17/48/916341748.db2.gz IDINPTUTVXSOQW-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001317660488 916342726 /nfs/dbraw/zinc/34/27/26/916342726.db2.gz DSILDXPYGMIZTG-UHFFFAOYSA-N 1 1 322.369 -1.005 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)CN1CCC(=O)NC1=O ZINC001317649291 916345513 /nfs/dbraw/zinc/34/55/13/916345513.db2.gz FNVUGYQUMSGZOD-UHFFFAOYSA-N 1 1 323.357 -1.695 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)CN2C(=O)CCC2=O)[nH]1 ZINC001317661829 916346243 /nfs/dbraw/zinc/34/62/43/916346243.db2.gz MJAJRGKLYMYOLW-UHFFFAOYSA-N 1 1 308.342 -1.190 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CN1CCC(=O)NC1=O ZINC001317651047 916346284 /nfs/dbraw/zinc/34/62/84/916346284.db2.gz PYHQYZYZFNVLTC-UHFFFAOYSA-N 1 1 323.357 -1.695 20 0 DAADMO O=C(Cn1cncn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC001317747197 916349973 /nfs/dbraw/zinc/34/99/73/916349973.db2.gz SEHSUGFEXPWCEA-BETUJISGSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001317856012 916353816 /nfs/dbraw/zinc/35/38/16/916353816.db2.gz ZZIPYFSHINNKKG-WDEREUQCSA-N 1 1 319.427 -1.067 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001317862308 916354299 /nfs/dbraw/zinc/35/42/99/916354299.db2.gz VKBWMZCTFUBFJN-LLVKDONJSA-N 1 1 312.370 -1.299 20 0 DAADMO NC(=O)C(=O)NCC[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001317799646 916354506 /nfs/dbraw/zinc/35/45/06/916354506.db2.gz BIFNWBIUXUZWKL-SECBINFHSA-N 1 1 309.326 -1.073 20 0 DAADMO NC(=O)C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001317799646 916354525 /nfs/dbraw/zinc/35/45/25/916354525.db2.gz BIFNWBIUXUZWKL-SECBINFHSA-N 1 1 309.326 -1.073 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=S)NCC(=O)N(C)C)CC1 ZINC001317945391 916359224 /nfs/dbraw/zinc/35/92/24/916359224.db2.gz JPJXNQFTZGTYKE-UHFFFAOYSA-N 1 1 315.443 -1.251 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318104525 916367511 /nfs/dbraw/zinc/36/75/11/916367511.db2.gz ASXSARRJHBVLBT-NSHDSACASA-N 1 1 310.354 -1.682 20 0 DAADMO CC(=O)N(C)CC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318104522 916369512 /nfs/dbraw/zinc/36/95/12/916369512.db2.gz ASXSARRJHBVLBT-LLVKDONJSA-N 1 1 310.354 -1.682 20 0 DAADMO Cn1cncc1CC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318168515 916375378 /nfs/dbraw/zinc/37/53/78/916375378.db2.gz FQKLFJJEUUKBLK-GFCCVEGCSA-N 1 1 319.365 -1.184 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001318245476 916381834 /nfs/dbraw/zinc/38/18/34/916381834.db2.gz UMVTYLYVVVBHJG-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001318245321 916382655 /nfs/dbraw/zinc/38/26/55/916382655.db2.gz SYEXVMDRQJGQKI-NSHDSACASA-N 1 1 300.359 -1.795 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318334279 916385716 /nfs/dbraw/zinc/38/57/16/916385716.db2.gz UXXRLXZCFNYSAR-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001318351568 916388651 /nfs/dbraw/zinc/38/86/51/916388651.db2.gz NRCBXLHKNRDANL-SECBINFHSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001318373306 916389725 /nfs/dbraw/zinc/38/97/25/916389725.db2.gz CNNNYWCRVAVFLX-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001318360002 916392974 /nfs/dbraw/zinc/39/29/74/916392974.db2.gz AJNJXWYORNCVSD-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001318360002 916392994 /nfs/dbraw/zinc/39/29/94/916392994.db2.gz AJNJXWYORNCVSD-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(F)F)C1 ZINC001318411307 916393425 /nfs/dbraw/zinc/39/34/25/916393425.db2.gz CFODHAUMXVHCIX-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001318613844 916404351 /nfs/dbraw/zinc/40/43/51/916404351.db2.gz JHJYZVYYPZKYAN-UWVGGRQHSA-N 1 1 322.369 -1.148 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001318657671 916408140 /nfs/dbraw/zinc/40/81/40/916408140.db2.gz BPOKAPWPEAURHE-SECBINFHSA-N 1 1 319.387 -1.957 20 0 DAADMO COCCN1C(=O)C[C@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001318985769 916412937 /nfs/dbraw/zinc/41/29/37/916412937.db2.gz SMBSZESQIMTGOG-NSHDSACASA-N 1 1 313.354 -1.273 20 0 DAADMO Cn1[nH]c(C[NH2+]Cc2ccc(CNC(=O)C(N)=O)cc2)nc1=O ZINC001319001176 916416603 /nfs/dbraw/zinc/41/66/03/916416603.db2.gz ZDARNCCWGGMYMC-UHFFFAOYSA-N 1 1 318.337 -1.500 20 0 DAADMO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)C1=NC(=O)N(C)C1 ZINC001319525712 916440006 /nfs/dbraw/zinc/44/00/06/916440006.db2.gz PYVDBLMMJOPIMF-BDAKNGLRSA-N 1 1 323.353 -1.019 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001319556729 916443497 /nfs/dbraw/zinc/44/34/97/916443497.db2.gz MZIYNNVZKOTDGK-QMMMGPOBSA-N 1 1 312.326 -1.662 20 0 DAADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NC(=O)NC1CC1 ZINC001319543369 916444015 /nfs/dbraw/zinc/44/40/15/916444015.db2.gz SRMVAWSOXLDFGT-UHFFFAOYSA-N 1 1 309.326 -1.351 20 0 DAADMO NC(=O)[C@@H]1CN(CCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC001319829673 916453707 /nfs/dbraw/zinc/45/37/07/916453707.db2.gz BLISOVFVKJFYPZ-RYUDHWBXSA-N 1 1 314.386 -1.861 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]12 ZINC001319904468 916453987 /nfs/dbraw/zinc/45/39/87/916453987.db2.gz KHYDPTSMPFUTDM-CMPLNLGQSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]12 ZINC001319904468 916454003 /nfs/dbraw/zinc/45/40/03/916454003.db2.gz KHYDPTSMPFUTDM-CMPLNLGQSA-N 1 1 313.354 -1.221 20 0 DAADMO COCC(=O)N(C)CC[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001319966711 916457132 /nfs/dbraw/zinc/45/71/32/916457132.db2.gz OKCYBRVHYUVEHL-NSHDSACASA-N 1 1 315.370 -1.467 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CN1CCCC1=O ZINC001319978017 916457927 /nfs/dbraw/zinc/45/79/27/916457927.db2.gz VJZOHPSFRHZTSN-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CN1CCCC1=O ZINC001319978017 916457939 /nfs/dbraw/zinc/45/79/39/916457939.db2.gz VJZOHPSFRHZTSN-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCNC1=O ZINC001320008364 916461623 /nfs/dbraw/zinc/46/16/23/916461623.db2.gz HLSBPZSEXLWKCU-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)C(=O)CC(N)=O ZINC001319985172 916461946 /nfs/dbraw/zinc/46/19/46/916461946.db2.gz FWBAXFPSLCXPMQ-JTQLQIEISA-N 1 1 305.400 -1.313 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CCNC1=O ZINC001320008364 916461636 /nfs/dbraw/zinc/46/16/36/916461636.db2.gz HLSBPZSEXLWKCU-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)C(=O)CC(N)=O ZINC001319985172 916461932 /nfs/dbraw/zinc/46/19/32/916461932.db2.gz FWBAXFPSLCXPMQ-JTQLQIEISA-N 1 1 305.400 -1.313 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001320096281 916466781 /nfs/dbraw/zinc/46/67/81/916466781.db2.gz MZEFKUDWTMDJIE-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001320096281 916466793 /nfs/dbraw/zinc/46/67/93/916466793.db2.gz MZEFKUDWTMDJIE-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CN1C(=O)CCC1=O ZINC001320080567 916467162 /nfs/dbraw/zinc/46/71/62/916467162.db2.gz OAUPBPVSRBRYRC-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CN1C(=O)CCC1=O ZINC001320080567 916467168 /nfs/dbraw/zinc/46/71/68/916467168.db2.gz OAUPBPVSRBRYRC-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001320110053 916467750 /nfs/dbraw/zinc/46/77/50/916467750.db2.gz DVNMLDQVENDZPW-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CN1C(=O)CCC1=O ZINC001320080568 916467931 /nfs/dbraw/zinc/46/79/31/916467931.db2.gz OAUPBPVSRBRYRC-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)CN1C(=O)CCC1=O ZINC001320080568 916467940 /nfs/dbraw/zinc/46/79/40/916467940.db2.gz OAUPBPVSRBRYRC-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCNC(=O)C2CC2)C1 ZINC001320111338 916468620 /nfs/dbraw/zinc/46/86/20/916468620.db2.gz OHNCTMOKSFPJHA-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001320214115 916476527 /nfs/dbraw/zinc/47/65/27/916476527.db2.gz BISOUIVVJYSKOZ-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001320215657 916480240 /nfs/dbraw/zinc/48/02/40/916480240.db2.gz IZVXZXWTNXRBAP-ZJUUUORDSA-N 1 1 312.374 -1.531 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001320215647 916481055 /nfs/dbraw/zinc/48/10/55/916481055.db2.gz IZVXZXWTNXRBAP-NXEZZACHSA-N 1 1 312.374 -1.531 20 0 DAADMO CC[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CCNC1=O ZINC001320232778 916484794 /nfs/dbraw/zinc/48/47/94/916484794.db2.gz CWQAJFKBLDGUKC-GWCFXTLKSA-N 1 1 311.342 -1.447 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001320271447 916489605 /nfs/dbraw/zinc/48/96/05/916489605.db2.gz BWSDVHAJHXBSSE-RNCFNFMXSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC001320265104 916491960 /nfs/dbraw/zinc/49/19/60/916491960.db2.gz VVBWJENYMJFFCJ-NEPJUHHUSA-N 1 1 321.381 -1.170 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001320275001 916493847 /nfs/dbraw/zinc/49/38/47/916493847.db2.gz SAFVIKLZVGXMGH-HZMBPMFUSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001320275014 916494311 /nfs/dbraw/zinc/49/43/11/916494311.db2.gz SAFVIKLZVGXMGH-YGRLFVJLSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1ccc2nncn2c1 ZINC001320286772 916496923 /nfs/dbraw/zinc/49/69/23/916496923.db2.gz OTCGPOXFSMIEPI-LLVKDONJSA-N 1 1 317.309 -1.007 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001320285959 916498378 /nfs/dbraw/zinc/49/83/78/916498378.db2.gz GURYMTWQMLLRFC-VIFPVBQESA-N 1 1 310.358 -1.794 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001320285957 916498576 /nfs/dbraw/zinc/49/85/76/916498576.db2.gz GURYMTWQMLLRFC-SECBINFHSA-N 1 1 310.358 -1.794 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC2CC2)nc1 ZINC001320293599 916499187 /nfs/dbraw/zinc/49/91/87/916499187.db2.gz WXHULHLNGCOLHT-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)n[nH]1 ZINC001320422123 916508204 /nfs/dbraw/zinc/50/82/04/916508204.db2.gz ICRZLLJLDXIZBJ-QMMMGPOBSA-N 1 1 307.362 -1.136 20 0 DAADMO Cn1nnnc1CNC/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321011873 916540400 /nfs/dbraw/zinc/54/04/00/916540400.db2.gz QBCXVXANXKATQO-BYCRGOAPSA-N 1 1 309.374 -1.697 20 0 DAADMO Cn1nnnc1CNC/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321011873 916540410 /nfs/dbraw/zinc/54/04/10/916540410.db2.gz QBCXVXANXKATQO-BYCRGOAPSA-N 1 1 309.374 -1.697 20 0 DAADMO NC(=O)NC(=O)CNC/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321064715 916544216 /nfs/dbraw/zinc/54/42/16/916544216.db2.gz OIPNPTUJVSZEEP-UDSFMNFJSA-N 1 1 323.397 -1.215 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CCNC2=O)nc1=O ZINC001321089390 916546022 /nfs/dbraw/zinc/54/60/22/916546022.db2.gz AWJUDSJIGRAGDP-ZMWSMAPVSA-N 1 1 322.369 -1.603 20 0 DAADMO NC(=O)NC(=O)CNC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321064716 916546152 /nfs/dbraw/zinc/54/61/52/916546152.db2.gz OIPNPTUJVSZEEP-YYRQZUAOSA-N 1 1 323.397 -1.215 20 0 DAADMO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn(C)c1=O ZINC001321136420 916547149 /nfs/dbraw/zinc/54/71/49/916547149.db2.gz PGGNJWJANOFISV-HNNXBMFYSA-N 1 1 322.365 -1.185 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCOCCS(C)(=O)=O)C1 ZINC001321136500 916547275 /nfs/dbraw/zinc/54/72/75/916547275.db2.gz QZMAJDCWMARDAB-GFCCVEGCSA-N 1 1 323.415 -1.587 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCOCCS(C)(=O)=O)C1 ZINC001321136501 916550005 /nfs/dbraw/zinc/55/00/05/916550005.db2.gz QZMAJDCWMARDAB-LBPRGKRZSA-N 1 1 323.415 -1.587 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001321184524 916551257 /nfs/dbraw/zinc/55/12/57/916551257.db2.gz GKQYMYFCVGQOPO-HMDXOVGESA-N 1 1 307.358 -1.399 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321185391 916552266 /nfs/dbraw/zinc/55/22/66/916552266.db2.gz KEKZYJBBKWIRKE-NWALNABHSA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1cnnc1C[NH2+]CC=CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001321184525 916553616 /nfs/dbraw/zinc/55/36/16/916553616.db2.gz GKQYMYFCVGQOPO-UMBAGQNISA-N 1 1 307.358 -1.399 20 0 DAADMO O=C(NCC=CC[NH2+]CCN1C(=O)CNC1=O)c1[nH]ncc1F ZINC001321234998 916554515 /nfs/dbraw/zinc/55/45/15/916554515.db2.gz CBSNCJGTECRMHD-OWOJBTEDSA-N 1 1 324.316 -1.024 20 0 DAADMO Cn1ccnc1C[NH2+]CC=CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001321270110 916559412 /nfs/dbraw/zinc/55/94/12/916559412.db2.gz HETBHOVPAGOLLC-PBKGFPTLSA-N 1 1 320.353 -1.220 20 0 DAADMO Cn1ccnc1C[NH2+]CC=CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001321270114 916560732 /nfs/dbraw/zinc/56/07/32/916560732.db2.gz HETBHOVPAGOLLC-ZMWSMAPVSA-N 1 1 320.353 -1.220 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321295154 916564559 /nfs/dbraw/zinc/56/45/59/916564559.db2.gz VSDMRPDKFIALDB-WAYWQWQTSA-N 1 1 324.385 -1.215 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC001321364696 916569017 /nfs/dbraw/zinc/56/90/17/916569017.db2.gz JNFLGDPBZUJLGX-JTQLQIEISA-N 1 1 307.416 -1.006 20 0 DAADMO CN(C(=O)C(=O)NCCC[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC001321367977 916570121 /nfs/dbraw/zinc/57/01/21/916570121.db2.gz VJFNVTIKCVQODA-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001321528576 916579755 /nfs/dbraw/zinc/57/97/55/916579755.db2.gz JHYAUBUKJWDPHL-FQEVSTJZSA-N 1 1 305.400 -1.680 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321542860 916579925 /nfs/dbraw/zinc/57/99/25/916579925.db2.gz ABPDBCVACGTXSE-RQJHMYQMSA-N 1 1 312.355 -1.270 20 0 DAADMO CN1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC001321528611 916580314 /nfs/dbraw/zinc/58/03/14/916580314.db2.gz JZZXRKLDNULVEI-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)Cc1cnc[nH]1 ZINC001321661992 916587428 /nfs/dbraw/zinc/58/74/28/916587428.db2.gz QJSQMKYGUGQNAH-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001321676202 916589598 /nfs/dbraw/zinc/58/95/98/916589598.db2.gz UPZKOSXWEKDXNS-GRYCIOLGSA-N 1 1 323.397 -1.001 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC001321732504 916592420 /nfs/dbraw/zinc/59/24/20/916592420.db2.gz FEBHPMBSKKQXKF-JTQLQIEISA-N 1 1 307.420 -1.919 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001321735489 916593451 /nfs/dbraw/zinc/59/34/51/916593451.db2.gz IHHHYEMARDTZDO-VXNVDRBHSA-N 1 1 310.314 -1.348 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCS(C)(=O)=O)C1 ZINC001321721488 916593803 /nfs/dbraw/zinc/59/38/03/916593803.db2.gz ONLLDUJTDAQLRK-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCCN1C ZINC001321815013 916598757 /nfs/dbraw/zinc/59/87/57/916598757.db2.gz SBCHSPLJYGVORE-WDEREUQCSA-N 1 1 306.432 -1.276 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC001321823628 916600534 /nfs/dbraw/zinc/60/05/34/916600534.db2.gz ZZYWVSBRPIPQLI-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C ZINC001321815012 916600918 /nfs/dbraw/zinc/60/09/18/916600918.db2.gz SBCHSPLJYGVORE-QWRGUYRKSA-N 1 1 306.432 -1.276 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)C(=O)NCC(F)F)c1nnnn1C ZINC001321908356 916605050 /nfs/dbraw/zinc/60/50/50/916605050.db2.gz YNFYJLISMHXDKG-NKWVEPMBSA-N 1 1 319.316 -1.253 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001321957020 916609617 /nfs/dbraw/zinc/60/96/17/916609617.db2.gz CYPBECRLXBUHOT-LLVKDONJSA-N 1 1 317.411 -1.156 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001321984298 916612912 /nfs/dbraw/zinc/61/29/12/916612912.db2.gz LMVUEUYSJHPYBF-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC(F)C2)C1 ZINC001322046760 916615917 /nfs/dbraw/zinc/61/59/17/916615917.db2.gz JXXSUFHFJXUOJZ-JTQLQIEISA-N 1 1 314.361 -1.130 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001322047717 916616251 /nfs/dbraw/zinc/61/62/51/916616251.db2.gz VXMKEBRLLRDTLA-LLVKDONJSA-N 1 1 317.386 -1.052 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001322041481 916616463 /nfs/dbraw/zinc/61/64/63/916616463.db2.gz GSOUBEGBFGXBAM-JTQLQIEISA-N 1 1 320.353 -1.035 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001322047719 916616650 /nfs/dbraw/zinc/61/66/50/916616650.db2.gz VXMKEBRLLRDTLA-NSHDSACASA-N 1 1 317.386 -1.052 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001322130500 916619892 /nfs/dbraw/zinc/61/98/92/916619892.db2.gz QJHNMYUSZIXDJQ-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001322130500 916619898 /nfs/dbraw/zinc/61/98/98/916619898.db2.gz QJHNMYUSZIXDJQ-BDAKNGLRSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001322098623 916620158 /nfs/dbraw/zinc/62/01/58/916620158.db2.gz KFNCEGMURZZUDA-DTWKUNHWSA-N 1 1 308.342 -1.538 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CNC1=O)NC(=O)c1cnnn1C ZINC001322147710 916622524 /nfs/dbraw/zinc/62/25/24/916622524.db2.gz OMQKFJBNRJKKPJ-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001322179491 916623908 /nfs/dbraw/zinc/62/39/08/916623908.db2.gz XPLQRORDAXRBBW-IJLUTSLNSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001322218005 916625471 /nfs/dbraw/zinc/62/54/71/916625471.db2.gz IZDSXLPJRPQJJK-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001322218005 916625484 /nfs/dbraw/zinc/62/54/84/916625484.db2.gz IZDSXLPJRPQJJK-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001322228859 916627002 /nfs/dbraw/zinc/62/70/02/916627002.db2.gz OIYNOWKWMMKHCQ-JMSVASOKSA-N 1 1 311.382 -1.051 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001322220266 916627878 /nfs/dbraw/zinc/62/78/78/916627878.db2.gz REVBJEAIZNVLAX-SNVBAGLBSA-N 1 1 308.342 -1.423 20 0 DAADMO Cn1c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc(=O)n(C)c1=O ZINC001322304071 916630394 /nfs/dbraw/zinc/63/03/94/916630394.db2.gz KTWCWLDBXGYZTN-AWEZNQCLSA-N 1 1 321.337 -1.742 20 0 DAADMO Cn1c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc(=O)n(C)c1=O ZINC001322304071 916630408 /nfs/dbraw/zinc/63/04/08/916630408.db2.gz KTWCWLDBXGYZTN-AWEZNQCLSA-N 1 1 321.337 -1.742 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001322262376 916630622 /nfs/dbraw/zinc/63/06/22/916630622.db2.gz OALVIALJOIYAQO-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001322262376 916630631 /nfs/dbraw/zinc/63/06/31/916630631.db2.gz OALVIALJOIYAQO-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)CN1C(=O)CCC1=O ZINC001322292087 916630898 /nfs/dbraw/zinc/63/08/98/916630898.db2.gz DRWZNXCYMOBQRF-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)CN1C(=O)CCC1=O ZINC001322292087 916630915 /nfs/dbraw/zinc/63/09/15/916630915.db2.gz DRWZNXCYMOBQRF-JTQLQIEISA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc(=O)n(C)c1=O ZINC001322304073 916630946 /nfs/dbraw/zinc/63/09/46/916630946.db2.gz KTWCWLDBXGYZTN-CQSZACIVSA-N 1 1 321.337 -1.742 20 0 DAADMO Cn1c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc(=O)n(C)c1=O ZINC001322304073 916630954 /nfs/dbraw/zinc/63/09/54/916630954.db2.gz KTWCWLDBXGYZTN-CQSZACIVSA-N 1 1 321.337 -1.742 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)[N@@H+](C)C1CC1 ZINC001322440510 916637077 /nfs/dbraw/zinc/63/70/77/916637077.db2.gz LWPLRFWPLZIIHB-JQWIXIFHSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)CN(CC(N)=O)C(=O)CCCC[NH+]1CCOCC1 ZINC001322513796 916639446 /nfs/dbraw/zinc/63/94/46/916639446.db2.gz IVSHONCTHQLVHC-UHFFFAOYSA-N 1 1 300.359 -1.712 20 0 DAADMO Cc1noc(C[NH2+]CCCN(C)C(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001322550038 916641277 /nfs/dbraw/zinc/64/12/77/916641277.db2.gz VKZGRCWLTZMROE-VIFPVBQESA-N 1 1 324.341 -1.086 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](COC)OC)C1 ZINC001322552387 916642531 /nfs/dbraw/zinc/64/25/31/916642531.db2.gz ZUZVCDKSTPZLBQ-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1=O ZINC001322650603 916654436 /nfs/dbraw/zinc/65/44/36/916654436.db2.gz SZXMRDBMEBJNDU-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCN(C)C2=O)n1C ZINC001322672254 916656740 /nfs/dbraw/zinc/65/67/40/916656740.db2.gz ZKJALOCPDAJBDM-SNVBAGLBSA-N 1 1 322.369 -1.551 20 0 DAADMO CN(CCOCCO)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322692816 916656929 /nfs/dbraw/zinc/65/69/29/916656929.db2.gz GKYXNOIHCSQIJZ-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCOCC(F)F ZINC001322695276 916657034 /nfs/dbraw/zinc/65/70/34/916657034.db2.gz QWNBJWJYOCCTAQ-SNVBAGLBSA-N 1 1 322.356 -1.254 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC001322749004 916663085 /nfs/dbraw/zinc/66/30/85/916663085.db2.gz FJCKRTFDMDNHEW-SWLSCSKDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOCC2)CC1 ZINC001322812254 916667974 /nfs/dbraw/zinc/66/79/74/916667974.db2.gz SVOGZVRMPFRNEQ-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC001322836202 916670190 /nfs/dbraw/zinc/67/01/90/916670190.db2.gz INFHATGJTJHHTA-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001322843484 916674301 /nfs/dbraw/zinc/67/43/01/916674301.db2.gz XICNSLNRGOPEMR-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC001322940031 916678625 /nfs/dbraw/zinc/67/86/25/916678625.db2.gz IRCMJTFCGJIXJI-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2nnn(C)n2)CC1 ZINC001322940009 916678848 /nfs/dbraw/zinc/67/88/48/916678848.db2.gz HYHZZKDNTHRPEH-UHFFFAOYSA-N 1 1 309.374 -1.374 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCNC1=O ZINC001322962296 916681023 /nfs/dbraw/zinc/68/10/23/916681023.db2.gz NLDFNLHRUDUWEU-WDEREUQCSA-N 1 1 311.386 -2.305 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001322955641 916682187 /nfs/dbraw/zinc/68/21/87/916682187.db2.gz NZEIZRQKDDYZMC-VHSXEESVSA-N 1 1 323.357 -2.194 20 0 DAADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@H]1C ZINC001322942782 916682643 /nfs/dbraw/zinc/68/26/43/916682643.db2.gz XFBPWJZFJNFZCF-ZJUUUORDSA-N 1 1 309.374 -1.233 20 0 DAADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2nnn(C)n2)C[C@H]1C ZINC001322942782 916682662 /nfs/dbraw/zinc/68/26/62/916682662.db2.gz XFBPWJZFJNFZCF-ZJUUUORDSA-N 1 1 309.374 -1.233 20 0 DAADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2nnn(C)n2)CC1 ZINC001323004497 916684099 /nfs/dbraw/zinc/68/40/99/916684099.db2.gz IMPJXKFSLZWHNG-UHFFFAOYSA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323004566 916685834 /nfs/dbraw/zinc/68/58/34/916685834.db2.gz ISZKBSQRCLVUQW-VHSXEESVSA-N 1 1 309.374 -1.375 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001323180168 916694120 /nfs/dbraw/zinc/69/41/20/916694120.db2.gz YNQIZKZIKKUOSI-CMPLNLGQSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001323180168 916694130 /nfs/dbraw/zinc/69/41/30/916694130.db2.gz YNQIZKZIKKUOSI-CMPLNLGQSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nccn1C)[C@H]1C[N@H+](C)CCO1 ZINC001323173570 916695073 /nfs/dbraw/zinc/69/50/73/916695073.db2.gz BLISBCZFIIPXOF-GHMZBOCLSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1nccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC001323173570 916695082 /nfs/dbraw/zinc/69/50/82/916695082.db2.gz BLISBCZFIIPXOF-GHMZBOCLSA-N 1 1 309.370 -1.128 20 0 DAADMO Cn1ccnc1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001323118839 916696141 /nfs/dbraw/zinc/69/61/41/916696141.db2.gz IUGPNXNBLLHWOL-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC001323194778 916697119 /nfs/dbraw/zinc/69/71/19/916697119.db2.gz TZTOKZKRFYTYJO-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001323182694 916697433 /nfs/dbraw/zinc/69/74/33/916697433.db2.gz UKLDVAMEUMCZKI-PJXYFTJBSA-N 1 1 324.381 -1.926 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC001323194776 916698958 /nfs/dbraw/zinc/69/89/58/916698958.db2.gz TZTOKZKRFYTYJO-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC001323194777 916699433 /nfs/dbraw/zinc/69/94/33/916699433.db2.gz TZTOKZKRFYTYJO-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H]1CNC(=O)c1cnnn1C ZINC001323232760 916702323 /nfs/dbraw/zinc/70/23/23/916702323.db2.gz RIZPKAZTAYARMD-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H]1CNC(=O)c1cnnn1C ZINC001323232760 916702332 /nfs/dbraw/zinc/70/23/32/916702332.db2.gz RIZPKAZTAYARMD-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(CO)C2)C1 ZINC001323243984 916705684 /nfs/dbraw/zinc/70/56/84/916705684.db2.gz AHWLGOPKWDBDNE-FZMZJTMJSA-N 1 1 317.361 -1.244 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCn3cnnc3C2)C1 ZINC001323244022 916706077 /nfs/dbraw/zinc/70/60/77/916706077.db2.gz BBVDZQOTMRKTSG-NSHDSACASA-N 1 1 322.369 -1.543 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001323273473 916708244 /nfs/dbraw/zinc/70/82/44/916708244.db2.gz LGNXSJDMRRBPBD-GDNZZTSVSA-N 1 1 311.382 -1.338 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)CC1 ZINC001323294441 916711563 /nfs/dbraw/zinc/71/15/63/916711563.db2.gz VFRCXIYXNFIMMX-SNVBAGLBSA-N 1 1 309.370 -1.532 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)CC1 ZINC001323294441 916711574 /nfs/dbraw/zinc/71/15/74/916711574.db2.gz VFRCXIYXNFIMMX-SNVBAGLBSA-N 1 1 309.370 -1.532 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001323349877 916714008 /nfs/dbraw/zinc/71/40/08/916714008.db2.gz BOAGGXCJHVHWHK-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001323349877 916714022 /nfs/dbraw/zinc/71/40/22/916714022.db2.gz BOAGGXCJHVHWHK-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCOC1)CN1CC[NH+](C)CC1 ZINC001323334109 916715347 /nfs/dbraw/zinc/71/53/47/916715347.db2.gz UKCHIFUXBWXTNH-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)c[nH]1 ZINC001323354455 916717963 /nfs/dbraw/zinc/71/79/63/916717963.db2.gz AUQZJFKGFCNKAI-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)c[nH]1 ZINC001323354455 916717975 /nfs/dbraw/zinc/71/79/75/916717975.db2.gz AUQZJFKGFCNKAI-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001323370949 916718701 /nfs/dbraw/zinc/71/87/01/916718701.db2.gz IJQBOAFWZUVOBH-QWRGUYRKSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001323370949 916718711 /nfs/dbraw/zinc/71/87/11/916718711.db2.gz IJQBOAFWZUVOBH-QWRGUYRKSA-N 1 1 313.354 -1.761 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[nH]n1 ZINC001323400288 916721105 /nfs/dbraw/zinc/72/11/05/916721105.db2.gz OTGFOAHYUIVOFW-ZDUSSCGKSA-N 1 1 322.413 -1.050 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001323400288 916721118 /nfs/dbraw/zinc/72/11/18/916721118.db2.gz OTGFOAHYUIVOFW-ZDUSSCGKSA-N 1 1 322.413 -1.050 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001323400288 916721127 /nfs/dbraw/zinc/72/11/27/916721127.db2.gz OTGFOAHYUIVOFW-ZDUSSCGKSA-N 1 1 322.413 -1.050 20 0 DAADMO C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001323487134 916726914 /nfs/dbraw/zinc/72/69/14/916726914.db2.gz RQYUEUPQTMKFMZ-MQJDWESPSA-N 1 1 319.427 -1.292 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001323570903 916731904 /nfs/dbraw/zinc/73/19/04/916731904.db2.gz VHUAJFLVYWTNPV-MJVIPROJSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323570903 916731921 /nfs/dbraw/zinc/73/19/21/916731921.db2.gz VHUAJFLVYWTNPV-MJVIPROJSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@H]1C[N@H+](C)CCO1 ZINC001323564878 916732903 /nfs/dbraw/zinc/73/29/03/916732903.db2.gz AIJVIMXCERBIGK-OUAUKWLOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC001323564878 916732915 /nfs/dbraw/zinc/73/29/15/916732915.db2.gz AIJVIMXCERBIGK-OUAUKWLOSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001323596423 916735965 /nfs/dbraw/zinc/73/59/65/916735965.db2.gz CYUNKGGQHTUZRE-ADEWGFFLSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001323596425 916736844 /nfs/dbraw/zinc/73/68/44/916736844.db2.gz CYUNKGGQHTUZRE-USWWRNFRSA-N 1 1 308.382 -1.068 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)CC1 ZINC001323753033 916746950 /nfs/dbraw/zinc/74/69/50/916746950.db2.gz KZSFXRNSEKHLDW-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC001323743453 916747999 /nfs/dbraw/zinc/74/79/99/916747999.db2.gz PBXZUACKVQGBNN-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001324030115 916761785 /nfs/dbraw/zinc/76/17/85/916761785.db2.gz VVURMMPBDOVJLB-MWLCHTKSSA-N 1 1 313.354 -1.811 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC001324259685 916770562 /nfs/dbraw/zinc/77/05/62/916770562.db2.gz AVPCCZZAOXEBMC-SCVCMEIPSA-N 1 1 323.397 -1.146 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001324280089 916770697 /nfs/dbraw/zinc/77/06/97/916770697.db2.gz KSQGPVASFFBJLU-MNOVXSKESA-N 1 1 323.353 -1.543 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001324259683 916771900 /nfs/dbraw/zinc/77/19/00/916771900.db2.gz AVPCCZZAOXEBMC-FOGDFJRCSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001324462479 916783998 /nfs/dbraw/zinc/78/39/98/916783998.db2.gz YITZEEQYDVDYEG-FOGDFJRCSA-N 1 1 308.382 -1.068 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001324561815 916788767 /nfs/dbraw/zinc/78/87/67/916788767.db2.gz XZSKWQXEQMEGGH-VXGBXAGGSA-N 1 1 314.386 -2.303 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)[C@@H]2C1 ZINC001324969692 916804080 /nfs/dbraw/zinc/80/40/80/916804080.db2.gz UJKVNLUILIHQIN-GXSJLCMTSA-N 1 1 320.353 -1.531 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)C1=COCCO1 ZINC001325067271 916806727 /nfs/dbraw/zinc/80/67/27/916806727.db2.gz JQLLIUGRNUQCHY-CQSZACIVSA-N 1 1 316.354 -1.564 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC(N)=O)C1 ZINC001325040914 916806911 /nfs/dbraw/zinc/80/69/11/916806911.db2.gz BLNLALXQGASGPU-NXEZZACHSA-N 1 1 323.340 -1.058 20 0 DAADMO NC(=O)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCC1(F)F ZINC001325042408 916808987 /nfs/dbraw/zinc/80/89/87/916808987.db2.gz LQWUVHPBBVZMDY-SNVBAGLBSA-N 1 1 323.340 -1.056 20 0 DAADMO NC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001325086545 916811890 /nfs/dbraw/zinc/81/18/90/916811890.db2.gz QGTWNFUGQBQPTE-QMTHXVAHSA-N 1 1 322.369 -1.806 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncc[nH]1 ZINC001325082481 916813503 /nfs/dbraw/zinc/81/35/03/916813503.db2.gz NQJKKZRXKBDLGQ-LKFCYVNXSA-N 1 1 321.337 -1.619 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001325083052 916813760 /nfs/dbraw/zinc/81/37/60/916813760.db2.gz QQJZAZUXRUWTHV-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001325083050 916815606 /nfs/dbraw/zinc/81/56/06/916815606.db2.gz QQJZAZUXRUWTHV-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112908 916815998 /nfs/dbraw/zinc/81/59/98/916815998.db2.gz DBVUYIVLSUVRFP-OTYXRUKQSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112908 916816016 /nfs/dbraw/zinc/81/60/16/916816016.db2.gz DBVUYIVLSUVRFP-OTYXRUKQSA-N 1 1 322.321 -1.354 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125297 916816053 /nfs/dbraw/zinc/81/60/53/916816053.db2.gz CLIWPRJHUULNNR-BXUZGUMPSA-N 1 1 313.398 -1.034 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001325126500 916816205 /nfs/dbraw/zinc/81/62/05/916816205.db2.gz PCKHZGKBMVXZHX-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO CCOCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001325126500 916816221 /nfs/dbraw/zinc/81/62/21/916816221.db2.gz PCKHZGKBMVXZHX-ZDUSSCGKSA-N 1 1 316.358 -2.823 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001325125770 916818159 /nfs/dbraw/zinc/81/81/59/916818159.db2.gz IRLBVYCOMHVKOS-ZANVPECISA-N 1 1 300.359 -1.931 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112905 916819673 /nfs/dbraw/zinc/81/96/73/916819673.db2.gz DBVUYIVLSUVRFP-LKFCYVNXSA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112905 916819689 /nfs/dbraw/zinc/81/96/89/916819689.db2.gz DBVUYIVLSUVRFP-LKFCYVNXSA-N 1 1 322.321 -1.354 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001325128446 916822761 /nfs/dbraw/zinc/82/27/61/916822761.db2.gz ZVQDICVMQCEJAR-GFCCVEGCSA-N 1 1 315.761 -1.425 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(CCOCCO)C2)C1 ZINC001325273548 916836546 /nfs/dbraw/zinc/83/65/46/916836546.db2.gz KVFICYQNXTXISE-CYBMUJFWSA-N 1 1 315.414 -1.500 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001325307750 916841503 /nfs/dbraw/zinc/84/15/03/916841503.db2.gz HPYBYNYGFGSDNM-SNVBAGLBSA-N 1 1 310.354 -1.453 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001325307747 916841745 /nfs/dbraw/zinc/84/17/45/916841745.db2.gz HPYBYNYGFGSDNM-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO Cn1cc(/C=C\C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC001325495680 916849887 /nfs/dbraw/zinc/84/98/87/916849887.db2.gz YODDQRVHXNLOCS-XVWMLYKFSA-N 1 1 322.365 -1.720 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001325652588 916855162 /nfs/dbraw/zinc/85/51/62/916855162.db2.gz POWLCSOAGLBYNR-ZYHUDNBSSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001325751991 916864110 /nfs/dbraw/zinc/86/41/10/916864110.db2.gz OIDFDDZNSJLMOQ-UPJWGTAASA-N 1 1 313.398 -1.103 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001325818391 916867198 /nfs/dbraw/zinc/86/71/98/916867198.db2.gz NTKCZPWFKQBZMV-HNNXBMFYSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@@H+](CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001325818391 916867209 /nfs/dbraw/zinc/86/72/09/916867209.db2.gz NTKCZPWFKQBZMV-HNNXBMFYSA-N 1 1 324.381 -1.109 20 0 DAADMO CN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C1CC(O)C1 ZINC001325879720 916869389 /nfs/dbraw/zinc/86/93/89/916869389.db2.gz MFHBKSXWBHJFFW-UHFFFAOYSA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C1CC(O)C1 ZINC001325879720 916869407 /nfs/dbraw/zinc/86/94/07/916869407.db2.gz MFHBKSXWBHJFFW-UHFFFAOYSA-N 1 1 313.398 -1.117 20 0 DAADMO O=C(C(F)F)N(CCO)CC[NH2+]Cc1nnc2n1CCOC2 ZINC001325958029 916872901 /nfs/dbraw/zinc/87/29/01/916872901.db2.gz UABWMNBFHKKDCV-UHFFFAOYSA-N 1 1 319.312 -1.016 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C)CC1)S(N)(=O)=O ZINC001325926977 916873260 /nfs/dbraw/zinc/87/32/60/916873260.db2.gz ODTKHGWQECHMNG-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO COC(=O)N1CC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001325916138 916873423 /nfs/dbraw/zinc/87/34/23/916873423.db2.gz QWMPSPVLBGTUGV-SECBINFHSA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1cc(C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)on1 ZINC001325978924 916875691 /nfs/dbraw/zinc/87/56/91/916875691.db2.gz ANJHJMFFVPUFQW-UHFFFAOYSA-N 1 1 309.330 -1.269 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+]Cc1ncc(C)cn1 ZINC001325972506 916876379 /nfs/dbraw/zinc/87/63/79/916876379.db2.gz WOQNYRDEYUSTNC-UHFFFAOYSA-N 1 1 309.370 -1.168 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)c2ccnn2C)nn1 ZINC001325987853 916879447 /nfs/dbraw/zinc/87/94/47/916879447.db2.gz BCEXGQDSIGLCOO-UHFFFAOYSA-N 1 1 307.358 -1.227 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCCCO1 ZINC001326009124 916883439 /nfs/dbraw/zinc/88/34/39/916883439.db2.gz LGLCXAMTOBAYFE-LLVKDONJSA-N 1 1 312.374 -1.310 20 0 DAADMO CCn1ncc(C(=O)N(CCO)CC[NH2+]Cc2ncnn2C)n1 ZINC001326021730 916885087 /nfs/dbraw/zinc/88/50/87/916885087.db2.gz KRGUHXZQKITCPI-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001326057752 916888732 /nfs/dbraw/zinc/88/87/32/916888732.db2.gz LUYSRUUEBOBMCV-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2[C@@H]3COC[C@@H]32)nn1 ZINC001326075122 916891515 /nfs/dbraw/zinc/89/15/15/916891515.db2.gz XYDWCFXBMWGCQX-ITGUQSILSA-N 1 1 309.370 -1.382 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@@H]2C(N)=O)nn1 ZINC001326070725 916892550 /nfs/dbraw/zinc/89/25/50/916892550.db2.gz RXDPOBWVHJERQM-NWDGAFQWSA-N 1 1 324.385 -1.763 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)n1 ZINC001326086464 916894978 /nfs/dbraw/zinc/89/49/78/916894978.db2.gz SVQUJPFHUOLRKN-UHFFFAOYSA-N 1 1 310.358 -2.009 20 0 DAADMO Cc1ccnn1CC(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001326102196 916895744 /nfs/dbraw/zinc/89/57/44/916895744.db2.gz FBMAPANICCASDO-UHFFFAOYSA-N 1 1 322.373 -1.674 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCNC1=O ZINC001326090318 916895868 /nfs/dbraw/zinc/89/58/68/916895868.db2.gz AXXYXTYVOZPGCZ-HNNXBMFYSA-N 1 1 323.397 -1.143 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001326107657 916897751 /nfs/dbraw/zinc/89/77/51/916897751.db2.gz PLWCMLLNARBPMX-STQMWFEESA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001326107657 916897761 /nfs/dbraw/zinc/89/77/61/916897761.db2.gz PLWCMLLNARBPMX-STQMWFEESA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001326107653 916898090 /nfs/dbraw/zinc/89/80/90/916898090.db2.gz PLWCMLLNARBPMX-CHWSQXEVSA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)CNCCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001326107653 916898112 /nfs/dbraw/zinc/89/81/12/916898112.db2.gz PLWCMLLNARBPMX-CHWSQXEVSA-N 1 1 312.414 -1.101 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001326127195 916899385 /nfs/dbraw/zinc/89/93/85/916899385.db2.gz JPQBFSQNWPFFQI-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)n1C ZINC001326522196 916925431 /nfs/dbraw/zinc/92/54/31/916925431.db2.gz LYQSKAWJHRNWOG-VIFPVBQESA-N 1 1 322.369 -1.551 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001326573311 916930885 /nfs/dbraw/zinc/93/08/85/916930885.db2.gz LUGVLGSTMYTGOK-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO COCCOCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001326584588 916934806 /nfs/dbraw/zinc/93/48/06/916934806.db2.gz BWOXZMUJWYLPMR-GFCCVEGCSA-N 1 1 316.402 -1.872 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1CCOCCO ZINC001326616604 916937075 /nfs/dbraw/zinc/93/70/75/916937075.db2.gz LBGZBEAWTLPICO-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCCN1C(=O)CCC1=O)[N@@H+](C)C1CC1 ZINC001326627812 916938935 /nfs/dbraw/zinc/93/89/35/916938935.db2.gz PBEFALNRJVPKGL-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001326633150 916939623 /nfs/dbraw/zinc/93/96/23/916939623.db2.gz UZWYPAJLMPIAOT-WCFLWFBJSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1O ZINC001326825537 916960865 /nfs/dbraw/zinc/96/08/65/916960865.db2.gz ZYMDUPBMSALSOQ-XQHKEYJVSA-N 1 1 311.382 -1.507 20 0 DAADMO CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001326872990 916964324 /nfs/dbraw/zinc/96/43/24/916964324.db2.gz ICNQQFZWMGDACC-FRRDWIJNSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC001326877978 916964733 /nfs/dbraw/zinc/96/47/33/916964733.db2.gz XTRGWCUIMDVVMO-XQHKEYJVSA-N 1 1 310.398 -1.541 20 0 DAADMO CN(C)C(=O)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326853608 916965669 /nfs/dbraw/zinc/96/56/69/916965669.db2.gz IKZFSHJSHNHFAD-WDEREUQCSA-N 1 1 312.370 -2.142 20 0 DAADMO C[S@@](=O)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326910414 916966864 /nfs/dbraw/zinc/96/68/64/916966864.db2.gz VUADTWDJAFVGLR-DCLVOVMVSA-N 1 1 303.384 -2.242 20 0 DAADMO C[S@@](=O)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326910414 916966874 /nfs/dbraw/zinc/96/68/74/916966874.db2.gz VUADTWDJAFVGLR-DCLVOVMVSA-N 1 1 303.384 -2.242 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326899614 916968436 /nfs/dbraw/zinc/96/84/36/916968436.db2.gz GYMRFOGYPZLUOE-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(=O)N(C)Cc2nnc[nH]2)C[C@H]1C[NH3+] ZINC001326885756 916968824 /nfs/dbraw/zinc/96/88/24/916968824.db2.gz QTSXGKVXQNWRFO-NXEZZACHSA-N 1 1 310.358 -1.415 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCOC1 ZINC001326909446 916968892 /nfs/dbraw/zinc/96/88/92/916968892.db2.gz QHHYFCFYHSXPJP-FVCCEPFGSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ncn(C)n1 ZINC001326927509 916972806 /nfs/dbraw/zinc/97/28/06/916972806.db2.gz WHFIAKKWJOTRCC-GARJFASQSA-N 1 1 322.369 -1.730 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001327121374 916992875 /nfs/dbraw/zinc/99/28/75/916992875.db2.gz OASLRTUXFBMCKR-SNVBAGLBSA-N 1 1 320.353 -1.213 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001327208268 916994710 /nfs/dbraw/zinc/99/47/10/916994710.db2.gz HYWJZPLMFCDPCF-VHSXEESVSA-N 1 1 309.326 -1.728 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001327277146 916999020 /nfs/dbraw/zinc/99/90/20/916999020.db2.gz MSFORZRLIIEHON-UHFFFAOYSA-N 1 1 313.358 -1.854 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001327426377 917014929 /nfs/dbraw/zinc/01/49/29/917014929.db2.gz IIGHUGSFSTYVNW-GFCCVEGCSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001327426377 917014939 /nfs/dbraw/zinc/01/49/39/917014939.db2.gz IIGHUGSFSTYVNW-GFCCVEGCSA-N 1 1 324.381 -1.062 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001327739339 917039098 /nfs/dbraw/zinc/03/90/98/917039098.db2.gz BZDUNFNVDUUGBD-QWRGUYRKSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC001327739337 917039215 /nfs/dbraw/zinc/03/92/15/917039215.db2.gz BZDUNFNVDUUGBD-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO Cc1noc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001327784850 917042816 /nfs/dbraw/zinc/04/28/16/917042816.db2.gz RKNBSWJALXCTKW-MNOVXSKESA-N 1 1 323.353 -1.026 20 0 DAADMO CO[C@@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001327890755 917052473 /nfs/dbraw/zinc/05/24/73/917052473.db2.gz HVUBSSWBTMOWLM-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(O)(CO)CC1 ZINC001327986781 917057121 /nfs/dbraw/zinc/05/71/21/917057121.db2.gz KIHBPYSUBIVVHR-NSHDSACASA-N 1 1 311.382 -1.315 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CCNC1=O ZINC001328004103 917057512 /nfs/dbraw/zinc/05/75/12/917057512.db2.gz PDNVGVJJOCCDIU-DCAQKATOSA-N 1 1 310.354 -2.030 20 0 DAADMO CCN(C(=O)C(=O)NCCS(=O)(=O)NC)[C@@H]1CC[N@@H+](C)C1 ZINC001328039190 917059091 /nfs/dbraw/zinc/05/90/91/917059091.db2.gz RHXZWPHKFCTXJC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001328081536 917060529 /nfs/dbraw/zinc/06/05/29/917060529.db2.gz QKXUGJAXKVRIEX-JTQLQIEISA-N 1 1 321.337 -1.429 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[N@@H+](C)C1CC1 ZINC001328082188 917061946 /nfs/dbraw/zinc/06/19/46/917061946.db2.gz VSSIOXXDVXGFGO-ONGXEEELSA-N 1 1 324.381 -1.151 20 0 DAADMO C[C@H]([NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1)c1nnnn1C ZINC001328199423 917071318 /nfs/dbraw/zinc/07/13/18/917071318.db2.gz WXFZLBJDMXXXHF-QMMMGPOBSA-N 1 1 311.346 -2.301 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001328266322 917074224 /nfs/dbraw/zinc/07/42/24/917074224.db2.gz IMAIEFRCNOJSTN-JQWIXIFHSA-N 1 1 314.386 -1.407 20 0 DAADMO CN(Cc1cn(C)nn1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001328299253 917075771 /nfs/dbraw/zinc/07/57/71/917075771.db2.gz SLLURECZCHCTME-CMPLNLGQSA-N 1 1 306.370 -1.064 20 0 DAADMO O=C(NC1(CO)CC[NH+](CCOCCO)CC1)c1cnn[nH]1 ZINC001328530016 917092786 /nfs/dbraw/zinc/09/27/86/917092786.db2.gz VUVKAMYYXAZPKR-UHFFFAOYSA-N 1 1 313.358 -1.630 20 0 DAADMO C[NH2+][C@H](C(=O)NCCCN1C(=O)CNC1=O)c1cnn(C)c1 ZINC001328504970 917094295 /nfs/dbraw/zinc/09/42/95/917094295.db2.gz WKVVMYYEIHJMLD-NSHDSACASA-N 1 1 308.342 -1.261 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ncc(OC)cn1 ZINC001328692575 917104366 /nfs/dbraw/zinc/10/43/66/917104366.db2.gz DQSQCQVIFYPFEP-UHFFFAOYSA-N 1 1 311.342 -1.146 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001328702791 917104604 /nfs/dbraw/zinc/10/46/04/917104604.db2.gz KFNTVKKYHWUUJO-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]3C[C@@]3(CO)C2)C1 ZINC001328669610 917104642 /nfs/dbraw/zinc/10/46/42/917104642.db2.gz LFWDTFDJFDODRY-XUJVJEKNSA-N 1 1 311.382 -1.336 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001328766930 917108352 /nfs/dbraw/zinc/10/83/52/917108352.db2.gz WZSNCRPIPPRITD-SNVBAGLBSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001328766930 917108361 /nfs/dbraw/zinc/10/83/61/917108361.db2.gz WZSNCRPIPPRITD-SNVBAGLBSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CCOCCO)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001328764614 917108552 /nfs/dbraw/zinc/10/85/52/917108552.db2.gz MECZZJRLSSACRX-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001328764612 917109029 /nfs/dbraw/zinc/10/90/29/917109029.db2.gz MECZZJRLSSACRX-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001328883693 917120004 /nfs/dbraw/zinc/12/00/04/917120004.db2.gz LMAZJQMVYUIOSM-UHFFFAOYSA-N 1 1 317.386 -1.973 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2ncn[nH]2)C1 ZINC001328927547 917121900 /nfs/dbraw/zinc/12/19/00/917121900.db2.gz MVOCXKTVVBNHNZ-UHFFFAOYSA-N 1 1 316.387 -1.548 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)c2nc[nH]n2)C1 ZINC001328927547 917121906 /nfs/dbraw/zinc/12/19/06/917121906.db2.gz MVOCXKTVVBNHNZ-UHFFFAOYSA-N 1 1 316.387 -1.548 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOCCF)C1 ZINC001328907042 917122122 /nfs/dbraw/zinc/12/21/22/917122122.db2.gz OFRWAXBZDMLWMF-LLVKDONJSA-N 1 1 305.350 -1.074 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001328916071 917122890 /nfs/dbraw/zinc/12/28/90/917122890.db2.gz QIPAPSLYIUDNTR-SNVBAGLBSA-N 1 1 312.370 -1.135 20 0 DAADMO CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001328970132 917124788 /nfs/dbraw/zinc/12/47/88/917124788.db2.gz XHODQXDKRUXYDK-FRRDWIJNSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC001329001926 917130383 /nfs/dbraw/zinc/13/03/83/917130383.db2.gz DMYSNJXSOBQBPW-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC001329001926 917130397 /nfs/dbraw/zinc/13/03/97/917130397.db2.gz DMYSNJXSOBQBPW-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001329030330 917133271 /nfs/dbraw/zinc/13/32/71/917133271.db2.gz PLYCLRPFKFNHMK-ZYHUDNBSSA-N 1 1 324.385 -1.251 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001329030330 917133279 /nfs/dbraw/zinc/13/32/79/917133279.db2.gz PLYCLRPFKFNHMK-ZYHUDNBSSA-N 1 1 324.385 -1.251 20 0 DAADMO Cc1c(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nnn1C ZINC001329055902 917136175 /nfs/dbraw/zinc/13/61/75/917136175.db2.gz RKSJNXPZGLMRDQ-VHSXEESVSA-N 1 1 308.342 -1.661 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC001329097575 917141299 /nfs/dbraw/zinc/14/12/99/917141299.db2.gz BJJVZWOHISZOHE-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO Nc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC001329115906 917141928 /nfs/dbraw/zinc/14/19/28/917141928.db2.gz ZPAFROMDTHINOY-WDEREUQCSA-N 1 1 305.338 -1.120 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001329131782 917144203 /nfs/dbraw/zinc/14/42/03/917144203.db2.gz AZJJVKMZLUUZCV-SNVBAGLBSA-N 1 1 308.342 -1.483 20 0 DAADMO CN1CCN(C[C@@H](O)C[NH2+]CCCN2C(=O)CCC2=O)CC1 ZINC001329139585 917144530 /nfs/dbraw/zinc/14/45/30/917144530.db2.gz ASUIKJJRVMDEKN-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329204561 917150068 /nfs/dbraw/zinc/15/00/68/917150068.db2.gz MTESDVBUORCLRS-WUHRBBMRSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001329196406 917151240 /nfs/dbraw/zinc/15/12/40/917151240.db2.gz RZMCSSAFEOLKHA-VHSXEESVSA-N 1 1 322.369 -1.053 20 0 DAADMO C[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329329904 917161627 /nfs/dbraw/zinc/16/16/27/917161627.db2.gz MHVDVESLNNTPGP-AGIUHOORSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001329413109 917162966 /nfs/dbraw/zinc/16/29/66/917162966.db2.gz SJNZZHHMVVSNDO-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001329413109 917162975 /nfs/dbraw/zinc/16/29/75/917162975.db2.gz SJNZZHHMVVSNDO-NXEZZACHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001329413110 917163439 /nfs/dbraw/zinc/16/34/39/917163439.db2.gz SJNZZHHMVVSNDO-UWVGGRQHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001329413110 917163447 /nfs/dbraw/zinc/16/34/47/917163447.db2.gz SJNZZHHMVVSNDO-UWVGGRQHSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[N@@H+](C)CCOCCO ZINC001329517986 917175730 /nfs/dbraw/zinc/17/57/30/917175730.db2.gz VJDKJNSYHMFKML-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCn1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1=O ZINC001329509025 917176014 /nfs/dbraw/zinc/17/60/14/917176014.db2.gz VDEVTAXUPPBGEQ-GFCCVEGCSA-N 1 1 322.365 -1.011 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329527521 917179560 /nfs/dbraw/zinc/17/95/60/917179560.db2.gz VDCVYWBWRSWIKW-NSHDSACASA-N 1 1 321.447 -1.529 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001329570689 917179598 /nfs/dbraw/zinc/17/95/98/917179598.db2.gz XNDAYGKTPWHBBX-GFCCVEGCSA-N 1 1 314.386 -1.798 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329529421 917179931 /nfs/dbraw/zinc/17/99/31/917179931.db2.gz ADLGUUCCLQSWLZ-JGVFFNPUSA-N 1 1 313.358 -1.715 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001329529421 917179937 /nfs/dbraw/zinc/17/99/37/917179937.db2.gz ADLGUUCCLQSWLZ-JGVFFNPUSA-N 1 1 313.358 -1.715 20 0 DAADMO COCCC[NH+]1CC(CCO)(NC(=O)[C@H]2COCCO2)C1 ZINC001329638703 917183899 /nfs/dbraw/zinc/18/38/99/917183899.db2.gz OYRNDFMNMWQOIP-GFCCVEGCSA-N 1 1 302.371 -1.009 20 0 DAADMO CN1CC[NH+](CCCNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001329616110 917184706 /nfs/dbraw/zinc/18/47/06/917184706.db2.gz RBJSDIORCRVXCR-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001329763428 917196154 /nfs/dbraw/zinc/19/61/54/917196154.db2.gz HMSGGYRYZUGEIS-NEPJUHHUSA-N 1 1 322.369 -1.589 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001329811019 917200216 /nfs/dbraw/zinc/20/02/16/917200216.db2.gz PIUHTAFDCCXRRN-LPWJVIDDSA-N 1 1 310.398 -1.216 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001329822368 917201346 /nfs/dbraw/zinc/20/13/46/917201346.db2.gz OGQYIZGQCGKOSB-MQYJIDSJSA-N 1 1 309.414 -1.702 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001329822366 917202520 /nfs/dbraw/zinc/20/25/20/917202520.db2.gz OGQYIZGQCGKOSB-AVERBVTBSA-N 1 1 309.414 -1.702 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2nnnn2CC2CC2)C1 ZINC001329851295 917205159 /nfs/dbraw/zinc/20/51/59/917205159.db2.gz WVHRGGYRXCVZFY-LLVKDONJSA-N 1 1 321.385 -1.090 20 0 DAADMO Cc1c(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cnn1C ZINC001329902794 917209671 /nfs/dbraw/zinc/20/96/71/917209671.db2.gz ZGEWVCPPFRHBOI-WDEREUQCSA-N 1 1 307.354 -1.056 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCn2cncn2)C1 ZINC001329961267 917214894 /nfs/dbraw/zinc/21/48/94/917214894.db2.gz ILOONXSZCLNYCQ-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330006741 917220906 /nfs/dbraw/zinc/22/09/06/917220906.db2.gz CSZCSAVNZVUJGP-RYUDHWBXSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1COCCN1 ZINC001330025109 917222397 /nfs/dbraw/zinc/22/23/97/917222397.db2.gz WUNMOJNOOFUPIK-NEPJUHHUSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1COCCN1 ZINC001330025109 917222415 /nfs/dbraw/zinc/22/24/15/917222415.db2.gz WUNMOJNOOFUPIK-NEPJUHHUSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1COCCN1 ZINC001330025110 917222842 /nfs/dbraw/zinc/22/28/42/917222842.db2.gz WUNMOJNOOFUPIK-NWDGAFQWSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1COCCN1 ZINC001330025110 917222861 /nfs/dbraw/zinc/22/28/61/917222861.db2.gz WUNMOJNOOFUPIK-NWDGAFQWSA-N 1 1 310.398 -1.309 20 0 DAADMO C[C@H](NC(=O)C(N)=O)C1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001330049181 917225845 /nfs/dbraw/zinc/22/58/45/917225845.db2.gz TYQYLBRAWYIZIC-QMMMGPOBSA-N 1 1 306.388 -2.200 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001330074117 917226064 /nfs/dbraw/zinc/22/60/64/917226064.db2.gz KLXACDUDIQSVEA-ZJUUUORDSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC001330072113 917227806 /nfs/dbraw/zinc/22/78/06/917227806.db2.gz SWFMUKVHOZWZHU-LLVKDONJSA-N 1 1 322.369 -1.222 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001330182397 917230783 /nfs/dbraw/zinc/23/07/83/917230783.db2.gz BYRAAOQLXKZHDG-SNVBAGLBSA-N 1 1 324.381 -1.163 20 0 DAADMO CN1C(=O)CN(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)C1=O ZINC001330149100 917230849 /nfs/dbraw/zinc/23/08/49/917230849.db2.gz FEQKSCNCHBJUOM-UHFFFAOYSA-N 1 1 321.341 -1.135 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001330259836 917234607 /nfs/dbraw/zinc/23/46/07/917234607.db2.gz WWBXTPHFZYZMLE-ZSOGYDGISA-N 1 1 313.398 -1.232 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001330264013 917234854 /nfs/dbraw/zinc/23/48/54/917234854.db2.gz XCBDOUHKUPSSBT-WISYIIOYSA-N 1 1 322.365 -1.778 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001330310100 917237517 /nfs/dbraw/zinc/23/75/17/917237517.db2.gz QVWMRTVYRYFBQX-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)n1 ZINC001330320428 917239313 /nfs/dbraw/zinc/23/93/13/917239313.db2.gz RKJSCPPAYSHMHT-RTCCRHLQSA-N 1 1 310.358 -1.873 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)[C@H]1CCNC1=O ZINC001330479958 917250422 /nfs/dbraw/zinc/25/04/22/917250422.db2.gz YMFALUNMDWJBAM-UTUOFQBUSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CC[N@@H+]1C ZINC001330495645 917250514 /nfs/dbraw/zinc/25/05/14/917250514.db2.gz JNFRXGLPLOHKHS-XQQFMLRXSA-N 1 1 313.398 -1.403 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CC[N@H+]1C ZINC001330495645 917250524 /nfs/dbraw/zinc/25/05/24/917250524.db2.gz JNFRXGLPLOHKHS-XQQFMLRXSA-N 1 1 313.398 -1.403 20 0 DAADMO CN(Cc1ncc[nH]1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001330504109 917250788 /nfs/dbraw/zinc/25/07/88/917250788.db2.gz TYDOGPSIVYJEGT-WDEREUQCSA-N 1 1 307.354 -1.355 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)NCc2nnn(C)n2)CC[N@@H+]1C ZINC001330642287 917259234 /nfs/dbraw/zinc/25/92/34/917259234.db2.gz ZORYUWKSBSDRDH-SNVBAGLBSA-N 1 1 309.374 -1.375 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)NCc2nnn(C)n2)CC[N@H+]1C ZINC001330642287 917259246 /nfs/dbraw/zinc/25/92/46/917259246.db2.gz ZORYUWKSBSDRDH-SNVBAGLBSA-N 1 1 309.374 -1.375 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001330674457 917261039 /nfs/dbraw/zinc/26/10/39/917261039.db2.gz RKLOEJUMNAQRSV-KYZUINATSA-N 1 1 301.372 -1.053 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001330674457 917261042 /nfs/dbraw/zinc/26/10/42/917261042.db2.gz RKLOEJUMNAQRSV-KYZUINATSA-N 1 1 301.372 -1.053 20 0 DAADMO COCCOCC[NH+]1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001330676083 917261177 /nfs/dbraw/zinc/26/11/77/917261177.db2.gz NXNYZQPCDMXACP-NSHDSACASA-N 1 1 302.375 -1.150 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(O)(CO)CC2)C1 ZINC001330701306 917261971 /nfs/dbraw/zinc/26/19/71/917261971.db2.gz BGVQHMXZMJDUSY-GFCCVEGCSA-N 1 1 313.398 -1.067 20 0 DAADMO CCn1nccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001330753860 917263094 /nfs/dbraw/zinc/26/30/94/917263094.db2.gz KZHWELVOWFUHGK-CYBMUJFWSA-N 1 1 322.413 -1.119 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)OC)CC1 ZINC001330856747 917269543 /nfs/dbraw/zinc/26/95/43/917269543.db2.gz HTDSAJJVJCIRIJ-JTQLQIEISA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@@H+](CCOCCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001330999409 917271666 /nfs/dbraw/zinc/27/16/66/917271666.db2.gz DBEQTSPKKUZHQX-UHFFFAOYSA-N 1 1 312.374 -1.395 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCNC2=O)n1C ZINC001330919039 917271953 /nfs/dbraw/zinc/27/19/53/917271953.db2.gz SXHPGEIBKUYMER-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO CC(=O)NCC(=O)NCCOCC[N@H+](C)[C@H]1CCNC1=O ZINC001331095633 917277411 /nfs/dbraw/zinc/27/74/11/917277411.db2.gz WDDHJQNORHLCJL-NSHDSACASA-N 1 1 300.359 -1.924 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(N)=O ZINC001331133105 917280005 /nfs/dbraw/zinc/28/00/05/917280005.db2.gz ONKDZRLCYJUSBO-AWEZNQCLSA-N 1 1 314.386 -1.547 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@]1(C)CCNC(=O)C1)CC(N)=O ZINC001331133105 917280018 /nfs/dbraw/zinc/28/00/18/917280018.db2.gz ONKDZRLCYJUSBO-AWEZNQCLSA-N 1 1 314.386 -1.547 20 0 DAADMO Cn1cc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001331117399 917281280 /nfs/dbraw/zinc/28/12/80/917281280.db2.gz GJPRYJSPWCHGQS-NSHDSACASA-N 1 1 310.358 -1.618 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCOCCNC(=O)c2cnon2)C1=O ZINC001331158524 917282749 /nfs/dbraw/zinc/28/27/49/917282749.db2.gz MWLXMLHXDJGMRK-NSHDSACASA-N 1 1 311.342 -1.022 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001331148842 917283439 /nfs/dbraw/zinc/28/34/39/917283439.db2.gz CQDXWTPLOQOANN-CQSZACIVSA-N 1 1 314.386 -1.677 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001331148842 917283446 /nfs/dbraw/zinc/28/34/46/917283446.db2.gz CQDXWTPLOQOANN-CQSZACIVSA-N 1 1 314.386 -1.677 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC(O)(C(=O)OC)C1 ZINC001331208312 917285706 /nfs/dbraw/zinc/28/57/06/917285706.db2.gz RIAFLCSIVXVLAK-SNVBAGLBSA-N 1 1 315.370 -1.421 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccnn1C ZINC001331238557 917287916 /nfs/dbraw/zinc/28/79/16/917287916.db2.gz MHKVWZLOLXQTFP-RYUDHWBXSA-N 1 1 322.413 -1.041 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1cnn(C)n1 ZINC001331631426 917306426 /nfs/dbraw/zinc/30/64/26/917306426.db2.gz MNASYJIBFVYBLN-JTQLQIEISA-N 1 1 322.369 -1.099 20 0 DAADMO CN(C)c1ncncc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001331657156 917309698 /nfs/dbraw/zinc/30/96/98/917309698.db2.gz SHXBCMUHXRDMQG-SNVBAGLBSA-N 1 1 322.369 -1.336 20 0 DAADMO NS(=O)(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001331664974 917312929 /nfs/dbraw/zinc/31/29/29/917312929.db2.gz KXOGQZBXVOKGRU-UHFFFAOYSA-N 1 1 304.372 -1.607 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001331727167 917325473 /nfs/dbraw/zinc/32/54/73/917325473.db2.gz WTNXEKDEHHSWTO-LLVKDONJSA-N 1 1 311.386 -1.019 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001331742430 917330720 /nfs/dbraw/zinc/33/07/20/917330720.db2.gz BGAWOXFREGIWEA-YNEHKIRRSA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001331742430 917330730 /nfs/dbraw/zinc/33/07/30/917330730.db2.gz BGAWOXFREGIWEA-YNEHKIRRSA-N 1 1 310.398 -1.166 20 0 DAADMO CC(C)CN(C(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O)C(C)C ZINC001331773682 917334029 /nfs/dbraw/zinc/33/40/29/917334029.db2.gz HLMFXNUACUVGFH-NSHDSACASA-N 1 1 316.402 -1.569 20 0 DAADMO CNC(=O)c1cccc(C[NH2+][C@H](CO)CNC(=O)C(N)=O)c1 ZINC001331773045 917334706 /nfs/dbraw/zinc/33/47/06/917334706.db2.gz CBAKZEDEYLCZMW-NSHDSACASA-N 1 1 308.338 -1.902 20 0 DAADMO COc1nn(C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001331781907 917337254 /nfs/dbraw/zinc/33/72/54/917337254.db2.gz KQTMOSFMVFELSJ-SECBINFHSA-N 1 1 311.342 -1.450 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)NCC[NH+]1CC=CC1 ZINC001331911167 917348435 /nfs/dbraw/zinc/34/84/35/917348435.db2.gz QKRIUHNRGSJWPL-UHFFFAOYSA-N 1 1 311.429 -1.331 20 0 DAADMO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001331958453 917349148 /nfs/dbraw/zinc/34/91/48/917349148.db2.gz KYHCMXKPGBXNJV-GFCCVEGCSA-N 1 1 308.448 -1.876 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC001332101734 917355028 /nfs/dbraw/zinc/35/50/28/917355028.db2.gz ASAQFKXJNMBZCO-VHSXEESVSA-N 1 1 311.338 -2.105 20 0 DAADMO C[C@]1(C2CCN(CC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC001332414721 917370385 /nfs/dbraw/zinc/37/03/85/917370385.db2.gz DADICSXMFHJLPS-OAHLLOKOSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001332459179 917372146 /nfs/dbraw/zinc/37/21/46/917372146.db2.gz UDSVFNKZCSDEIR-JTQLQIEISA-N 1 1 310.358 -1.644 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)c1ccn[nH]1 ZINC001332491217 917377482 /nfs/dbraw/zinc/37/74/82/917377482.db2.gz RINLASQKEQCFMG-LLVKDONJSA-N 1 1 309.370 -1.042 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)Cc1ccn[nH]1 ZINC001332490854 917379092 /nfs/dbraw/zinc/37/90/92/917379092.db2.gz ZFOZCEUSUXDLKG-LBPRGKRZSA-N 1 1 307.358 -1.347 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(C)CCNC1=O ZINC001332567609 917387918 /nfs/dbraw/zinc/38/79/18/917387918.db2.gz VYWIHESLHCTZIR-SMDDNHRTSA-N 1 1 324.385 -1.750 20 0 DAADMO CNC(=O)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001332579857 917387947 /nfs/dbraw/zinc/38/79/47/917387947.db2.gz VUSHCQRLRUGVKR-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@]1(C)CCNC1=O ZINC001332566120 917388832 /nfs/dbraw/zinc/38/88/32/917388832.db2.gz KNRIGXJERBXAND-GXFFZTMASA-N 1 1 311.342 -1.495 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001332619688 917392901 /nfs/dbraw/zinc/39/29/01/917392901.db2.gz PPSPXWIMNWUZPO-ZJUUUORDSA-N 1 1 302.375 -1.910 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332630965 917393552 /nfs/dbraw/zinc/39/35/52/917393552.db2.gz DRSDWPJSICUSKO-NXEZZACHSA-N 1 1 316.402 -1.487 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332615750 917394146 /nfs/dbraw/zinc/39/41/46/917394146.db2.gz DTDNXPVYEZNFFX-ZDUSSCGKSA-N 1 1 324.381 -1.179 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332615750 917394158 /nfs/dbraw/zinc/39/41/58/917394158.db2.gz DTDNXPVYEZNFFX-ZDUSSCGKSA-N 1 1 324.381 -1.179 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)C1CC1 ZINC001332616860 917394415 /nfs/dbraw/zinc/39/44/15/917394415.db2.gz PBZCDDOCIUZMBY-NSHDSACASA-N 1 1 312.370 -1.301 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)CC(N)=O ZINC001332619620 917395800 /nfs/dbraw/zinc/39/58/00/917395800.db2.gz ORFVVJZQCSKHLV-SNVBAGLBSA-N 1 1 315.374 -2.362 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632274 917396625 /nfs/dbraw/zinc/39/66/25/917396625.db2.gz NIENEQQWZVZBFH-UWVGGRQHSA-N 1 1 316.402 -1.617 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332632274 917396641 /nfs/dbraw/zinc/39/66/41/917396641.db2.gz NIENEQQWZVZBFH-UWVGGRQHSA-N 1 1 316.402 -1.617 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648611 917397518 /nfs/dbraw/zinc/39/75/18/917397518.db2.gz QUIKJXUFJFCGBV-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648611 917397533 /nfs/dbraw/zinc/39/75/33/917397533.db2.gz QUIKJXUFJFCGBV-QWRGUYRKSA-N 1 1 314.386 -1.990 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648610 917398082 /nfs/dbraw/zinc/39/80/82/917398082.db2.gz QUIKJXUFJFCGBV-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648610 917398095 /nfs/dbraw/zinc/39/80/95/917398095.db2.gz QUIKJXUFJFCGBV-MNOVXSKESA-N 1 1 314.386 -1.990 20 0 DAADMO COc1ncccc1C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332662334 917400745 /nfs/dbraw/zinc/40/07/45/917400745.db2.gz DUDKGCGNXRTTLI-NSHDSACASA-N 1 1 310.354 -1.173 20 0 DAADMO COc1ncccc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332662334 917400754 /nfs/dbraw/zinc/40/07/54/917400754.db2.gz DUDKGCGNXRTTLI-NSHDSACASA-N 1 1 310.354 -1.173 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663471 917402404 /nfs/dbraw/zinc/40/24/04/917402404.db2.gz CZBJRCWLBFRJHB-MWLCHTKSSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001332663471 917402413 /nfs/dbraw/zinc/40/24/13/917402413.db2.gz CZBJRCWLBFRJHB-MWLCHTKSSA-N 1 1 314.386 -1.863 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCOC[C@@H]1CCO ZINC001332676160 917404082 /nfs/dbraw/zinc/40/40/82/917404082.db2.gz KTBMZKINWODVJU-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cn(C)cn2)C1 ZINC001332683875 917404708 /nfs/dbraw/zinc/40/47/08/917404708.db2.gz IELDBVOUBVGJJT-NSHDSACASA-N 1 1 309.370 -1.127 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001333062257 917425187 /nfs/dbraw/zinc/42/51/87/917425187.db2.gz SQNHQHUJHNKXOI-AEJSXWLSSA-N 1 1 317.317 -2.109 20 0 DAADMO CN(CCOCC[NH2+]Cc1nnnn1C)C(=O)c1ccn(C)n1 ZINC001333267272 917430866 /nfs/dbraw/zinc/43/08/66/917430866.db2.gz JBWDAUYUMWYKHL-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCOCCN(C)C(=O)C(N)=O)n1 ZINC001333248595 917431759 /nfs/dbraw/zinc/43/17/59/917431759.db2.gz ZUCJSFNDTBFIMP-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C[C@@H]1O ZINC001333247556 917431914 /nfs/dbraw/zinc/43/19/14/917431914.db2.gz CXJSDXFLQYMITN-FRRDWIJNSA-N 1 1 305.371 -1.056 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001333349295 917438340 /nfs/dbraw/zinc/43/83/40/917438340.db2.gz GRUOQWLFKBLUFU-LLVKDONJSA-N 1 1 309.370 -1.448 20 0 DAADMO CNC(=O)NCC(=O)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001333349295 917438348 /nfs/dbraw/zinc/43/83/48/917438348.db2.gz GRUOQWLFKBLUFU-LLVKDONJSA-N 1 1 309.370 -1.448 20 0 DAADMO COCCNC(=O)CN1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC001333392793 917442532 /nfs/dbraw/zinc/44/25/32/917442532.db2.gz JHUTYLMBTYSOEE-ZDUSSCGKSA-N 1 1 317.430 -1.112 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001333430848 917442838 /nfs/dbraw/zinc/44/28/38/917442838.db2.gz UTGKLCLSGKMXNJ-BBBLOLIVSA-N 1 1 301.368 -1.097 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)C1=O ZINC001333430848 917442851 /nfs/dbraw/zinc/44/28/51/917442851.db2.gz UTGKLCLSGKMXNJ-BBBLOLIVSA-N 1 1 301.368 -1.097 20 0 DAADMO CN1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001333564622 917450770 /nfs/dbraw/zinc/45/07/70/917450770.db2.gz ATOSJEUJJKLMAZ-VIFPVBQESA-N 1 1 322.369 -1.533 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)COC)CC1 ZINC001333763904 917460439 /nfs/dbraw/zinc/46/04/39/917460439.db2.gz MLGPJFPXSBHUDI-JTQLQIEISA-N 1 1 314.386 -1.536 20 0 DAADMO COC1(C(=O)NCCC[NH+]2CCC(O)CC2)CS(=O)(=O)C1 ZINC001333791751 917460897 /nfs/dbraw/zinc/46/08/97/917460897.db2.gz RRFNFJLSEZACBZ-UHFFFAOYSA-N 1 1 320.411 -1.237 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCOC[C@H]1CCO ZINC001333834170 917463503 /nfs/dbraw/zinc/46/35/03/917463503.db2.gz GNJBTTFFBPZPGJ-GFCCVEGCSA-N 1 1 310.354 -1.082 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001333999941 917472509 /nfs/dbraw/zinc/47/25/09/917472509.db2.gz NMWJUAKHTNJITB-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001333999941 917472523 /nfs/dbraw/zinc/47/25/23/917472523.db2.gz NMWJUAKHTNJITB-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001333999941 917472530 /nfs/dbraw/zinc/47/25/30/917472530.db2.gz NMWJUAKHTNJITB-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC2(COC2)C1 ZINC001334082824 917475981 /nfs/dbraw/zinc/47/59/81/917475981.db2.gz LWDVBVAIMULXJK-LBPRGKRZSA-N 1 1 310.398 -1.403 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001334206402 917477719 /nfs/dbraw/zinc/47/77/19/917477719.db2.gz JQZKZWVMMYCZQT-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001334206402 917477731 /nfs/dbraw/zinc/47/77/31/917477731.db2.gz JQZKZWVMMYCZQT-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316895 917483377 /nfs/dbraw/zinc/48/33/77/917483377.db2.gz VOAYSRNSYWTVDE-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316895 917483386 /nfs/dbraw/zinc/48/33/86/917483386.db2.gz VOAYSRNSYWTVDE-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](CC3CN(S(C)(=O)=O)C3)C[C@H]2C1=O ZINC001334414074 917487581 /nfs/dbraw/zinc/48/75/81/917487581.db2.gz KURUMRBTSLVFLO-AOOOYVTPSA-N 1 1 301.368 -1.576 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001334567160 917497261 /nfs/dbraw/zinc/49/72/61/917497261.db2.gz VLEJHBFPFJUCIL-GHMZBOCLSA-N 1 1 309.388 -2.156 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001334567160 917497267 /nfs/dbraw/zinc/49/72/67/917497267.db2.gz VLEJHBFPFJUCIL-GHMZBOCLSA-N 1 1 309.388 -2.156 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001334599135 917499706 /nfs/dbraw/zinc/49/97/06/917499706.db2.gz PGKWUKBMALROCP-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001334599135 917499715 /nfs/dbraw/zinc/49/97/15/917499715.db2.gz PGKWUKBMALROCP-VHSXEESVSA-N 1 1 310.354 -1.540 20 0 DAADMO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC001334763056 917505718 /nfs/dbraw/zinc/50/57/18/917505718.db2.gz IXHGDCQJONPVLA-ZUWCUPBKSA-N 1 1 322.409 -1.398 20 0 DAADMO CN1CCN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+](C)CC1 ZINC001334810499 917507594 /nfs/dbraw/zinc/50/75/94/917507594.db2.gz QYORSWIWLLEDKC-UHFFFAOYSA-N 1 1 307.402 -1.329 20 0 DAADMO CN1CCN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+](C)CC1 ZINC001334810499 917507603 /nfs/dbraw/zinc/50/76/03/917507603.db2.gz QYORSWIWLLEDKC-UHFFFAOYSA-N 1 1 307.402 -1.329 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334848981 917512689 /nfs/dbraw/zinc/51/26/89/917512689.db2.gz GBHFXSYFRYXJSF-VWYCJHECSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001334848981 917512703 /nfs/dbraw/zinc/51/27/03/917512703.db2.gz GBHFXSYFRYXJSF-VWYCJHECSA-N 1 1 310.354 -2.077 20 0 DAADMO CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001335037543 917516779 /nfs/dbraw/zinc/51/67/79/917516779.db2.gz ZEDULJANERJLRS-WUHRBBMRSA-N 1 1 311.382 -1.507 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC001335074112 917519964 /nfs/dbraw/zinc/51/99/64/917519964.db2.gz BSXWGHLLYQHFQX-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC001335074112 917519973 /nfs/dbraw/zinc/51/99/73/917519973.db2.gz BSXWGHLLYQHFQX-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001335076712 917520542 /nfs/dbraw/zinc/52/05/42/917520542.db2.gz RZRXLENESNXWLH-SNVBAGLBSA-N 1 1 305.338 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001335076712 917520555 /nfs/dbraw/zinc/52/05/55/917520555.db2.gz RZRXLENESNXWLH-SNVBAGLBSA-N 1 1 305.338 -1.113 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1(C)C ZINC001335088093 917521856 /nfs/dbraw/zinc/52/18/56/917521856.db2.gz BCMYDGVWUQGFHL-JTQLQIEISA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1(C)C ZINC001335088093 917521868 /nfs/dbraw/zinc/52/18/68/917521868.db2.gz BCMYDGVWUQGFHL-JTQLQIEISA-N 1 1 311.386 -1.192 20 0 DAADMO O=C(NCCCCC[NH+]1CCNCC1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001335185329 917530569 /nfs/dbraw/zinc/53/05/69/917530569.db2.gz RSNZYYFNONRAGU-WDNDVIMCSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335255450 917540266 /nfs/dbraw/zinc/54/02/66/917540266.db2.gz MDZDBWQJVWNWRP-XQQFMLRXSA-N 1 1 312.414 -1.103 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001335554436 917554485 /nfs/dbraw/zinc/55/44/85/917554485.db2.gz DVIMMMWKCAMVAV-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001335554436 917554501 /nfs/dbraw/zinc/55/45/01/917554501.db2.gz DVIMMMWKCAMVAV-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001335801851 917561465 /nfs/dbraw/zinc/56/14/65/917561465.db2.gz MFKNYGFKCVVBDJ-RFQIPJPRSA-N 1 1 324.425 -1.103 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCCCON)CC1 ZINC001335759600 917562358 /nfs/dbraw/zinc/56/23/58/917562358.db2.gz RPLXBUYYINHFJW-UHFFFAOYSA-N 1 1 315.418 -1.475 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001336221289 917575256 /nfs/dbraw/zinc/57/52/56/917575256.db2.gz QSRWGYHNXIIYMH-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001336221289 917575269 /nfs/dbraw/zinc/57/52/69/917575269.db2.gz QSRWGYHNXIIYMH-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1(C)C ZINC001336365601 917579729 /nfs/dbraw/zinc/57/97/29/917579729.db2.gz USHAJEXRULCDBJ-NSHDSACASA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1(C)C ZINC001336365601 917579742 /nfs/dbraw/zinc/57/97/42/917579742.db2.gz USHAJEXRULCDBJ-NSHDSACASA-N 1 1 323.397 -1.225 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001336342897 917580146 /nfs/dbraw/zinc/58/01/46/917580146.db2.gz HUMCENKYOSHKPT-UWVGGRQHSA-N 1 1 313.354 -1.668 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001336365559 917580439 /nfs/dbraw/zinc/58/04/39/917580439.db2.gz UETYQGDAZNERHS-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001336365559 917580444 /nfs/dbraw/zinc/58/04/44/917580444.db2.gz UETYQGDAZNERHS-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001336342901 917580605 /nfs/dbraw/zinc/58/06/05/917580605.db2.gz HUMCENKYOSHKPT-VHSXEESVSA-N 1 1 313.354 -1.668 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1(C)C ZINC001336440135 917583062 /nfs/dbraw/zinc/58/30/62/917583062.db2.gz HFXWQENUOWFKHW-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1(C)C ZINC001336440135 917583073 /nfs/dbraw/zinc/58/30/73/917583073.db2.gz HFXWQENUOWFKHW-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)N1CC(O)(C(=O)OC)C1 ZINC001336449621 917586227 /nfs/dbraw/zinc/58/62/27/917586227.db2.gz HVBMBSVETIDLEY-UHFFFAOYSA-N 1 1 303.359 -1.116 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001336500061 917588792 /nfs/dbraw/zinc/58/87/92/917588792.db2.gz ATMDNTQDJFJDQR-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CCNC2=O)CC1 ZINC001336500061 917588795 /nfs/dbraw/zinc/58/87/95/917588795.db2.gz ATMDNTQDJFJDQR-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO COCCCNC(=O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001337585717 917629883 /nfs/dbraw/zinc/62/98/83/917629883.db2.gz MJUCQSGQMSNAEB-UHFFFAOYSA-N 1 1 304.387 -1.025 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001337599205 917631735 /nfs/dbraw/zinc/63/17/35/917631735.db2.gz DSVFGAWJPHEBSK-UWVGGRQHSA-N 1 1 300.359 -2.061 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001337656244 917640635 /nfs/dbraw/zinc/64/06/35/917640635.db2.gz NCPZFKWTSHYISY-VIFPVBQESA-N 1 1 311.342 -1.915 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001337739189 917650469 /nfs/dbraw/zinc/65/04/69/917650469.db2.gz ZDVNVNUSFADSRR-SNVBAGLBSA-N 1 1 311.342 -2.079 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001337769114 917653536 /nfs/dbraw/zinc/65/35/36/917653536.db2.gz TZKRKDXQKVZUEQ-QWRGUYRKSA-N 1 1 323.353 -2.079 20 0 DAADMO CCS(=O)(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001337811240 917655639 /nfs/dbraw/zinc/65/56/39/917655639.db2.gz YFWNRHBQYNBXJV-UHFFFAOYSA-N 1 1 318.399 -1.058 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001337840882 917658683 /nfs/dbraw/zinc/65/86/83/917658683.db2.gz PAYIZPPCMGDROM-NXEZZACHSA-N 1 1 312.370 -2.061 20 0 DAADMO CN1CC(=O)N(CCCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1=O ZINC001337944873 917662820 /nfs/dbraw/zinc/66/28/20/917662820.db2.gz ZCHYSPIGGRLWTI-CQSZACIVSA-N 1 1 312.370 -1.157 20 0 DAADMO CN1CC(=O)N(CCCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1=O ZINC001337944867 917663758 /nfs/dbraw/zinc/66/37/58/917663758.db2.gz ZCHYSPIGGRLWTI-AWEZNQCLSA-N 1 1 312.370 -1.157 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC[N@@H+]1CCO ZINC001338186313 917672918 /nfs/dbraw/zinc/67/29/18/917672918.db2.gz XFBVMNFLXAKDHP-GFCCVEGCSA-N 1 1 311.382 -1.339 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CC=C[C@@H]2CO)CC[N@H+]1CCO ZINC001338186313 917672927 /nfs/dbraw/zinc/67/29/27/917672927.db2.gz XFBVMNFLXAKDHP-GFCCVEGCSA-N 1 1 311.382 -1.339 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cn1 ZINC001338352257 917678402 /nfs/dbraw/zinc/67/84/02/917678402.db2.gz DLEPKLLWRJPEHK-NSHDSACASA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC001338352257 917678414 /nfs/dbraw/zinc/67/84/14/917678414.db2.gz DLEPKLLWRJPEHK-NSHDSACASA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cn1 ZINC001338352256 917679282 /nfs/dbraw/zinc/67/92/82/917679282.db2.gz DLEPKLLWRJPEHK-LLVKDONJSA-N 1 1 322.369 -1.270 20 0 DAADMO CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC001338352256 917679293 /nfs/dbraw/zinc/67/92/93/917679293.db2.gz DLEPKLLWRJPEHK-LLVKDONJSA-N 1 1 322.369 -1.270 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001338434476 917681154 /nfs/dbraw/zinc/68/11/54/917681154.db2.gz LRSSDKHYVRABHX-CQSZACIVSA-N 1 1 324.425 -1.111 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001338454964 917685379 /nfs/dbraw/zinc/68/53/79/917685379.db2.gz YALFPQIQBBLHKZ-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001338456252 917685400 /nfs/dbraw/zinc/68/54/00/917685400.db2.gz NFKSTWIQOLIVHQ-IUCAKERBSA-N 1 1 302.331 -3.262 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001338456252 917685411 /nfs/dbraw/zinc/68/54/11/917685411.db2.gz NFKSTWIQOLIVHQ-IUCAKERBSA-N 1 1 302.331 -3.262 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC=C[C@@H]1CO)C[NH+]1CCOCC1 ZINC001338486349 917687326 /nfs/dbraw/zinc/68/73/26/917687326.db2.gz GSEDJVAGFGBAQK-QWHCGFSZSA-N 1 1 311.382 -1.170 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001338528045 917690879 /nfs/dbraw/zinc/69/08/79/917690879.db2.gz IULSNSBDYXRFRQ-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001338674249 917701750 /nfs/dbraw/zinc/70/17/50/917701750.db2.gz HLCNYBZZOOUBTH-SNVBAGLBSA-N 1 1 302.375 -1.909 20 0 DAADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCNS(C)(=O)=O ZINC001338672379 917701875 /nfs/dbraw/zinc/70/18/75/917701875.db2.gz NHBWSJDGEJDZDH-NSHDSACASA-N 1 1 321.447 -1.529 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847674 917707234 /nfs/dbraw/zinc/70/72/34/917707234.db2.gz VKLOTWHETDWHFU-UWVGGRQHSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C(C)(C)C)C1 ZINC001338847674 917707242 /nfs/dbraw/zinc/70/72/42/917707242.db2.gz VKLOTWHETDWHFU-UWVGGRQHSA-N 1 1 314.386 -1.551 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001340201587 917730305 /nfs/dbraw/zinc/73/03/05/917730305.db2.gz YOHGWVMGMIFRRI-VIFPVBQESA-N 1 1 321.341 -1.162 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC001340298352 917734192 /nfs/dbraw/zinc/73/41/92/917734192.db2.gz SMUCWXKDHZCEIH-WDEREUQCSA-N 1 1 307.354 -1.250 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001340695960 917740243 /nfs/dbraw/zinc/74/02/43/917740243.db2.gz AEDMRNSKYDFPPV-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001340961932 917744865 /nfs/dbraw/zinc/74/48/65/917744865.db2.gz JPQITVLAVCFCRQ-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C(=O)OC)C1 ZINC001341182863 917749273 /nfs/dbraw/zinc/74/92/73/917749273.db2.gz FVQKJJPDVIABLT-NSHDSACASA-N 1 1 315.370 -1.298 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001341649472 917760936 /nfs/dbraw/zinc/76/09/36/917760936.db2.gz MCQPWSVSCYEYRE-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO CN1CCN(c2ncccc2CNC(=O)CNCC[NH3+])CC1 ZINC001341731068 917762492 /nfs/dbraw/zinc/76/24/92/917762492.db2.gz AYGDWVMJXYDJOJ-UHFFFAOYSA-N 1 1 306.414 -1.002 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@H]2CN(C)C(=O)CN2)CC1 ZINC001341731380 917762709 /nfs/dbraw/zinc/76/27/09/917762709.db2.gz DOEJVIARBTZHBV-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001341691522 917763047 /nfs/dbraw/zinc/76/30/47/917763047.db2.gz JBFUYSCWVVVYFG-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001341758114 917764524 /nfs/dbraw/zinc/76/45/24/917764524.db2.gz FFKDBUIFGFEVBH-VIFPVBQESA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@]12C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC001341783616 917766994 /nfs/dbraw/zinc/76/69/94/917766994.db2.gz DVVQLYOVGQXXLP-HONMWMINSA-N 1 1 312.366 -1.127 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCNC2=O)C1 ZINC001341898899 917769656 /nfs/dbraw/zinc/76/96/56/917769656.db2.gz OUSQJUHNDBRRLX-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001341895796 917769922 /nfs/dbraw/zinc/76/99/22/917769922.db2.gz YXCAXNALZCZFBI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001341895796 917769931 /nfs/dbraw/zinc/76/99/31/917769931.db2.gz YXCAXNALZCZFBI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC001341971526 917772233 /nfs/dbraw/zinc/77/22/33/917772233.db2.gz PUDIWUZDPCAPDV-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001341971526 917772241 /nfs/dbraw/zinc/77/22/41/917772241.db2.gz PUDIWUZDPCAPDV-HBNTYKKESA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC001341971524 917772971 /nfs/dbraw/zinc/77/29/71/917772971.db2.gz PUDIWUZDPCAPDV-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001341971524 917772978 /nfs/dbraw/zinc/77/29/78/917772978.db2.gz PUDIWUZDPCAPDV-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC001341971157 917773532 /nfs/dbraw/zinc/77/35/32/917773532.db2.gz MMVQRCFXJUULDP-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC001341971156 917773653 /nfs/dbraw/zinc/77/36/53/917773653.db2.gz MMVQRCFXJUULDP-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001342468387 917785038 /nfs/dbraw/zinc/78/50/38/917785038.db2.gz ZEHLIPWCKJUNJC-GHMZBOCLSA-N 1 1 324.385 -1.822 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC001342411446 917785577 /nfs/dbraw/zinc/78/55/77/917785577.db2.gz PMOMCCUVVYOTFT-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)N(C)C ZINC001342734817 917787662 /nfs/dbraw/zinc/78/76/62/917787662.db2.gz OJQZXKPJUPSUQX-WDEREUQCSA-N 1 1 313.402 -2.059 20 0 DAADMO Cn1nccc1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001342835397 917790814 /nfs/dbraw/zinc/79/08/14/917790814.db2.gz KSLAOGMHDWIBJF-ZDUSSCGKSA-N 1 1 322.413 -1.559 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC ZINC001343100642 917793360 /nfs/dbraw/zinc/79/33/60/917793360.db2.gz BUGXBASITPTRTR-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[N@H+]1CC(C)(C)O ZINC001343199100 917797125 /nfs/dbraw/zinc/79/71/25/917797125.db2.gz HUDARWKFZIMVDG-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001343272089 917800289 /nfs/dbraw/zinc/80/02/89/917800289.db2.gz SELFWGFZOPPUAJ-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001343272089 917800308 /nfs/dbraw/zinc/80/03/08/917800308.db2.gz SELFWGFZOPPUAJ-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)C1 ZINC001343915964 917818075 /nfs/dbraw/zinc/81/80/75/917818075.db2.gz JIVLRHZTEPPFQI-JTQLQIEISA-N 1 1 310.358 -1.101 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001344549556 917829066 /nfs/dbraw/zinc/82/90/66/917829066.db2.gz PUQGZUOFOXTESS-BDAKNGLRSA-N 1 1 304.372 -1.703 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001344549556 917829084 /nfs/dbraw/zinc/82/90/84/917829084.db2.gz PUQGZUOFOXTESS-BDAKNGLRSA-N 1 1 304.372 -1.703 20 0 DAADMO NC(=O)N[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116282 917835448 /nfs/dbraw/zinc/83/54/48/917835448.db2.gz GCSHWRGTOPZPMI-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCO)CC1 ZINC001344981964 917836250 /nfs/dbraw/zinc/83/62/50/917836250.db2.gz ZXZPGUAJDBLKPQ-UHFFFAOYSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](O)CN(C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001345201851 917838268 /nfs/dbraw/zinc/83/82/68/917838268.db2.gz BBSGJXWSJLSMRI-STQMWFEESA-N 1 1 314.430 -1.175 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001345497677 917847203 /nfs/dbraw/zinc/84/72/03/917847203.db2.gz QEANWLXQTWTZNJ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O ZINC001345497677 917847214 /nfs/dbraw/zinc/84/72/14/917847214.db2.gz QEANWLXQTWTZNJ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC001345571453 917847728 /nfs/dbraw/zinc/84/77/28/917847728.db2.gz QAXZBFQMDVIBRO-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001345691184 917849827 /nfs/dbraw/zinc/84/98/27/917849827.db2.gz JOAAXSIGQUSRNL-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCCN1CC[C@H]([NH2+]C[C@H](O)CN2CCN(C)CC2)C1 ZINC001345605884 917851310 /nfs/dbraw/zinc/85/13/10/917851310.db2.gz LHUQSLYCRVYZSM-GJZGRUSLSA-N 1 1 300.447 -1.095 20 0 DAADMO COCCN1CC[C@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001345605886 917852001 /nfs/dbraw/zinc/85/20/01/917852001.db2.gz LHUQSLYCRVYZSM-LSDHHAIUSA-N 1 1 300.447 -1.095 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001345770828 917856657 /nfs/dbraw/zinc/85/66/57/917856657.db2.gz AYUYZKKLEJVXPG-QWRGUYRKSA-N 1 1 314.386 -1.720 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001345834373 917862465 /nfs/dbraw/zinc/86/24/65/917862465.db2.gz XQGKQAVTCYAULU-RYUDHWBXSA-N 1 1 318.443 -1.180 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001345858795 917862554 /nfs/dbraw/zinc/86/25/54/917862554.db2.gz XYBLTOYZZCDKOS-GFCCVEGCSA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001346096290 917869547 /nfs/dbraw/zinc/86/95/47/917869547.db2.gz RMTXLWRYSOXZOB-QWRGUYRKSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346096290 917869580 /nfs/dbraw/zinc/86/95/80/917869580.db2.gz RMTXLWRYSOXZOB-QWRGUYRKSA-N 1 1 321.447 -1.531 20 0 DAADMO C[C@H](NC(=O)NCCNS(C)(=O)=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001346096290 917869593 /nfs/dbraw/zinc/86/95/93/917869593.db2.gz RMTXLWRYSOXZOB-QWRGUYRKSA-N 1 1 321.447 -1.531 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001346191383 917874214 /nfs/dbraw/zinc/87/42/14/917874214.db2.gz VLCPYTJNJBWVHI-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC[N@H+]1C ZINC001346277694 917879626 /nfs/dbraw/zinc/87/96/26/917879626.db2.gz REBBTFSUUFXERG-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(CCCCCO)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001346278217 917880195 /nfs/dbraw/zinc/88/01/95/917880195.db2.gz UZDZPBWOXJEJJX-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC1 ZINC001346365027 917886770 /nfs/dbraw/zinc/88/67/70/917886770.db2.gz SYEJOKASTCSOKF-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001346519271 917893140 /nfs/dbraw/zinc/89/31/40/917893140.db2.gz IAFHTUADALXENE-CMPLNLGQSA-N 1 1 306.370 -1.356 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCOC1 ZINC001346629459 917896107 /nfs/dbraw/zinc/89/61/07/917896107.db2.gz DFVJXNGTLTXXPV-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)[C@@H]2C1 ZINC001346804264 917899205 /nfs/dbraw/zinc/89/92/05/917899205.db2.gz YJWPECNVZJCKJT-AEJSXWLSSA-N 1 1 307.354 -1.070 20 0 DAADMO C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)N1CC[NH+](C)CC1 ZINC001346864346 917902130 /nfs/dbraw/zinc/90/21/30/917902130.db2.gz VOYGXCLXQDDQMA-LLVKDONJSA-N 1 1 321.447 -1.866 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001347189753 917912278 /nfs/dbraw/zinc/91/22/78/917912278.db2.gz GETMVVLMPSISAB-NNYUYHANSA-N 1 1 306.366 -1.552 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001347144396 917912829 /nfs/dbraw/zinc/91/28/29/917912829.db2.gz ZSYUPBKTDGGNOK-XYPYXGAPSA-N 1 1 320.393 -1.114 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC001347295220 917914693 /nfs/dbraw/zinc/91/46/93/917914693.db2.gz BUQZPRFJQZXSSA-UHFFFAOYSA-N 1 1 321.447 -1.864 20 0 DAADMO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342674 917917313 /nfs/dbraw/zinc/91/73/13/917917313.db2.gz LXIDWZPHYPNLMN-HZSPNIEDSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC001347342674 917917333 /nfs/dbraw/zinc/91/73/33/917917333.db2.gz LXIDWZPHYPNLMN-HZSPNIEDSA-N 1 1 323.441 -1.169 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC001347537574 917919398 /nfs/dbraw/zinc/91/93/98/917919398.db2.gz LUPXBUXEBZWGPB-YUSALJHKSA-N 1 1 306.366 -1.219 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001347484580 917919880 /nfs/dbraw/zinc/91/98/80/917919880.db2.gz AQFNMGHRUKDWIF-WFGGJUAMSA-N 1 1 323.393 -1.051 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCS(N)(=O)=O ZINC001347639595 917923837 /nfs/dbraw/zinc/92/38/37/917923837.db2.gz QHGOTGNOXFZUFW-WDEREUQCSA-N 1 1 304.416 -1.440 20 0 DAADMO COCCOCCN(CCO)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347851730 917927285 /nfs/dbraw/zinc/92/72/85/917927285.db2.gz LWDDPEHERFHNKR-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(O)C2)CC1 ZINC001348213688 917932088 /nfs/dbraw/zinc/93/20/88/917932088.db2.gz JXSZNLYCQRTJKY-HNNXBMFYSA-N 1 1 313.398 -1.115 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC001348333820 917939138 /nfs/dbraw/zinc/93/91/38/917939138.db2.gz PIOKEHHMTUYVBJ-VIFPVBQESA-N 1 1 318.324 -1.034 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001348544827 917953794 /nfs/dbraw/zinc/95/37/94/917953794.db2.gz AYBKBUCQGXLZNX-VXGBXAGGSA-N 1 1 321.381 -1.157 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001348544824 917954070 /nfs/dbraw/zinc/95/40/70/917954070.db2.gz AYBKBUCQGXLZNX-NEPJUHHUSA-N 1 1 321.381 -1.157 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CS(C)(=O)=O)CC[N@H+]1C ZINC001348583517 917955547 /nfs/dbraw/zinc/95/55/47/917955547.db2.gz YOOYIRIGJNHOAQ-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)CCC2=O)C1 ZINC001348603586 917955733 /nfs/dbraw/zinc/95/57/33/917955733.db2.gz MTZCHUVWWVQVAO-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO CN1C(=O)CS/C1=C\C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001348581604 917956333 /nfs/dbraw/zinc/95/63/33/917956333.db2.gz IGQQBHQYZSBLFL-QPEQYQDCSA-N 1 1 312.395 -1.077 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001348647526 917959264 /nfs/dbraw/zinc/95/92/64/917959264.db2.gz DEPFMFWLDICFKE-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO Cc1nn(CC(=O)NCCNC(=O)[C@@H]2CCC[N@H+]2C)c(=O)n1C ZINC001348648448 917961507 /nfs/dbraw/zinc/96/15/07/917961507.db2.gz OGSQSOHLJIVNAL-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1C(=O)CCC1=O ZINC001348648376 917961571 /nfs/dbraw/zinc/96/15/71/917961571.db2.gz MOTMHSAAUGVZNZ-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001348648324 917962193 /nfs/dbraw/zinc/96/21/93/917962193.db2.gz SDWCXHAXHHIXHQ-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)ncc1=O ZINC001348648581 917962985 /nfs/dbraw/zinc/96/29/85/917962985.db2.gz VWEHJJJWWQKYIX-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc3n(n2)CCO3)C1 ZINC001348699612 917965297 /nfs/dbraw/zinc/96/52/97/917965297.db2.gz COBINCSAXCNOCB-LLVKDONJSA-N 1 1 323.353 -1.548 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)c2cc3n(n2)CCO3)C1 ZINC001348699612 917965316 /nfs/dbraw/zinc/96/53/16/917965316.db2.gz COBINCSAXCNOCB-LLVKDONJSA-N 1 1 323.353 -1.548 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CN2CCOCC2)C1 ZINC001348702709 917965903 /nfs/dbraw/zinc/96/59/03/917965903.db2.gz WIVUXLGISLCDAQ-GFCCVEGCSA-N 1 1 314.386 -2.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CN2CCOCC2)C1 ZINC001348702709 917965921 /nfs/dbraw/zinc/96/59/21/917965921.db2.gz WIVUXLGISLCDAQ-GFCCVEGCSA-N 1 1 314.386 -2.118 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC001348699228 917966037 /nfs/dbraw/zinc/96/60/37/917966037.db2.gz ATIFLDFGDCSMEG-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC001348699228 917966054 /nfs/dbraw/zinc/96/60/54/917966054.db2.gz ATIFLDFGDCSMEG-GHMZBOCLSA-N 1 1 312.370 -1.972 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](C)n2cncn2)C1 ZINC001348818771 917972663 /nfs/dbraw/zinc/97/26/63/917972663.db2.gz GDTYRSPIFMRTGV-NWDGAFQWSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H](C)n2cncn2)C1 ZINC001348818771 917972680 /nfs/dbraw/zinc/97/26/80/917972680.db2.gz GDTYRSPIFMRTGV-NWDGAFQWSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](C)n2cncn2)C1 ZINC001348818770 917972853 /nfs/dbraw/zinc/97/28/53/917972853.db2.gz GDTYRSPIFMRTGV-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](C)n2cncn2)C1 ZINC001348818770 917972863 /nfs/dbraw/zinc/97/28/63/917972863.db2.gz GDTYRSPIFMRTGV-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001348906883 917978478 /nfs/dbraw/zinc/97/84/78/917978478.db2.gz HZCHQMDLPODIGI-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2ncn(C)n2)C1 ZINC001348906883 917978492 /nfs/dbraw/zinc/97/84/92/917978492.db2.gz HZCHQMDLPODIGI-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)[C@@H]2C1 ZINC001349000059 917983456 /nfs/dbraw/zinc/98/34/56/917983456.db2.gz QJINVFJKWFOUQT-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001349021833 917987149 /nfs/dbraw/zinc/98/71/49/917987149.db2.gz AAWMNMRSQINYEM-NSHDSACASA-N 1 1 323.401 -1.019 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001349030762 917987834 /nfs/dbraw/zinc/98/78/34/917987834.db2.gz ZGSGWVFQXSAXPN-JTQLQIEISA-N 1 1 307.354 -1.422 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001349030889 917987883 /nfs/dbraw/zinc/98/78/83/917987883.db2.gz HLRKLPZFVCFCTH-SNVBAGLBSA-N 1 1 308.342 -1.552 20 0 DAADMO O=C(Cn1ncnn1)NCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001349065580 917992098 /nfs/dbraw/zinc/99/20/98/917992098.db2.gz ORFVHXGFDOSBCJ-ZDUSSCGKSA-N 1 1 307.358 -1.609 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2nc[nH]n2)C1 ZINC001349126903 917995750 /nfs/dbraw/zinc/99/57/50/917995750.db2.gz XMNXRJWRWMFOBO-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2nc[nH]n2)C1 ZINC001349126903 917995759 /nfs/dbraw/zinc/99/57/59/917995759.db2.gz XMNXRJWRWMFOBO-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC001349177230 917997888 /nfs/dbraw/zinc/99/78/88/917997888.db2.gz WDSDTCCKUQDZSU-MXWKQRLJSA-N 1 1 307.354 -1.863 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001349208905 918004259 /nfs/dbraw/zinc/00/42/59/918004259.db2.gz ABLYVAMYLVOTMW-VIFPVBQESA-N 1 1 311.338 -1.914 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)c1cc(=O)n(C)cn1 ZINC001349243255 918006316 /nfs/dbraw/zinc/00/63/16/918006316.db2.gz IFMXIAOEVAPTAG-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001349370972 918013741 /nfs/dbraw/zinc/01/37/41/918013741.db2.gz LQKVUNJJAGOLTG-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001349370971 918014891 /nfs/dbraw/zinc/01/48/91/918014891.db2.gz LQKVUNJJAGOLTG-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC001349370961 918014939 /nfs/dbraw/zinc/01/49/39/918014939.db2.gz LQKVUNJJAGOLTG-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@H]1C[N@H+](C)CCO1 ZINC001349670380 918030121 /nfs/dbraw/zinc/03/01/21/918030121.db2.gz MADZVISXTYBMBL-GXSJLCMTSA-N 1 1 310.358 -1.733 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC001349670380 918030135 /nfs/dbraw/zinc/03/01/35/918030135.db2.gz MADZVISXTYBMBL-GXSJLCMTSA-N 1 1 310.358 -1.733 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@H]1C[N@H+](C)CCO1 ZINC001349670382 918030175 /nfs/dbraw/zinc/03/01/75/918030175.db2.gz MADZVISXTYBMBL-MWLCHTKSSA-N 1 1 310.358 -1.733 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC001349670382 918030189 /nfs/dbraw/zinc/03/01/89/918030189.db2.gz MADZVISXTYBMBL-MWLCHTKSSA-N 1 1 310.358 -1.733 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001349672407 918030312 /nfs/dbraw/zinc/03/03/12/918030312.db2.gz DBRSZATWNLYASS-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC001349672407 918030331 /nfs/dbraw/zinc/03/03/31/918030331.db2.gz DBRSZATWNLYASS-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn(C)nn2)C1 ZINC001349663818 918031155 /nfs/dbraw/zinc/03/11/55/918031155.db2.gz ODGYYZKYBBKGFH-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO CCN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCNC1=O ZINC001349855521 918039926 /nfs/dbraw/zinc/03/99/26/918039926.db2.gz HUAJJBSOKKVQDS-QJPTWQEYSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)N(C)C ZINC001349849103 918040130 /nfs/dbraw/zinc/04/01/30/918040130.db2.gz ZAEOXBQEKIYIMX-WDEREUQCSA-N 1 1 319.431 -2.113 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)N(C)C ZINC001349849099 918040459 /nfs/dbraw/zinc/04/04/59/918040459.db2.gz ZAEOXBQEKIYIMX-GHMZBOCLSA-N 1 1 319.431 -2.113 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001349855711 918041053 /nfs/dbraw/zinc/04/10/53/918041053.db2.gz KXZXJNFMGQMWFO-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001349855711 918041071 /nfs/dbraw/zinc/04/10/71/918041071.db2.gz KXZXJNFMGQMWFO-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)Cn2ncnn2)C1 ZINC001350089724 918048289 /nfs/dbraw/zinc/04/82/89/918048289.db2.gz IQZNABBQVQQTES-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO CN(Cc1cn(C)nn1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001350273828 918056218 /nfs/dbraw/zinc/05/62/18/918056218.db2.gz ZIRSZZPZRUZXFN-NWDGAFQWSA-N 1 1 322.369 -1.949 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCNC2=O)CC[N@H+]1C ZINC001350397601 918062653 /nfs/dbraw/zinc/06/26/53/918062653.db2.gz ARHDYLYIYZJARB-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCNC2=O)CC[N@H+]1C ZINC001350397610 918063576 /nfs/dbraw/zinc/06/35/76/918063576.db2.gz ARHDYLYIYZJARB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)NCCOCCS(N)(=O)=O ZINC001350525557 918064358 /nfs/dbraw/zinc/06/43/58/918064358.db2.gz UJFRRMAFTDQSGJ-UHFFFAOYSA-N 1 1 319.387 -1.204 20 0 DAADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC001350683649 918069651 /nfs/dbraw/zinc/06/96/51/918069651.db2.gz DQIZCSKYRCSOQZ-KOLCDFICSA-N 1 1 307.354 -1.051 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC001350755817 918072278 /nfs/dbraw/zinc/07/22/78/918072278.db2.gz JBOWFEXCYBNRDY-SECBINFHSA-N 1 1 323.353 -1.010 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC001350766797 918073082 /nfs/dbraw/zinc/07/30/82/918073082.db2.gz HPKBGQRNAQMICX-VIFPVBQESA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001350858195 918075577 /nfs/dbraw/zinc/07/55/77/918075577.db2.gz YADUXVSPNNPWCD-GFCCVEGCSA-N 1 1 302.371 -1.321 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(COCCO)CC2)C1 ZINC001350858195 918075592 /nfs/dbraw/zinc/07/55/92/918075592.db2.gz YADUXVSPNNPWCD-GFCCVEGCSA-N 1 1 302.371 -1.321 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(O)(COCCO)CC1 ZINC001350927546 918079181 /nfs/dbraw/zinc/07/91/81/918079181.db2.gz UGHZWDASWYEPLX-GXTWGEPZSA-N 1 1 316.398 -1.196 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCNC1=O ZINC001351015035 918082070 /nfs/dbraw/zinc/08/20/70/918082070.db2.gz JIXKNMDQRROBCS-NILFDRSVSA-N 1 1 311.382 -1.146 20 0 DAADMO COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@H](O)CO)CC1 ZINC001351118304 918084254 /nfs/dbraw/zinc/08/42/54/918084254.db2.gz NDLASALYOYHTJM-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO CN(CCCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001351225346 918086097 /nfs/dbraw/zinc/08/60/97/918086097.db2.gz FEJDRKKTLOYBHO-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C2CCC1(CO)CC2 ZINC001351164103 918086863 /nfs/dbraw/zinc/08/68/63/918086863.db2.gz IHQBKSSDVYHDAH-UYJPIKCFSA-N 1 1 324.425 -1.136 20 0 DAADMO COCC(=O)NCCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001351843847 918108699 /nfs/dbraw/zinc/10/86/99/918108699.db2.gz WDIYENGJJGKLHP-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCCNC(=O)c1nnn(C)n1 ZINC001351842117 918108760 /nfs/dbraw/zinc/10/87/60/918108760.db2.gz UCGMSOSMQLEBDZ-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO CN(CCCNC(=O)C(N)=O)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001351873705 918111005 /nfs/dbraw/zinc/11/10/05/918111005.db2.gz VFLFBKFLDDHVLT-LLVKDONJSA-N 1 1 324.385 -1.737 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCn3cncn3)CC[C@H]21 ZINC001352401020 918120180 /nfs/dbraw/zinc/12/01/80/918120180.db2.gz HLRDSKALXFZJKX-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)C2(CF)CC2)CC1 ZINC001352675686 918124854 /nfs/dbraw/zinc/12/48/54/918124854.db2.gz YXLZAZHSLZUCSY-UHFFFAOYSA-N 1 1 314.361 -1.128 20 0 DAADMO COCC(=O)NCCC[NH+]1CCN(C(=O)CNC(C)=O)CC1 ZINC001352641498 918124898 /nfs/dbraw/zinc/12/48/98/918124898.db2.gz UPCDCFSLDLZOAE-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CONC(=O)C1CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC001352945575 918136879 /nfs/dbraw/zinc/13/68/79/918136879.db2.gz SESLKTHEFIZGNG-JTQLQIEISA-N 1 1 314.386 -1.031 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)CC3)C[C@]2(C)C1 ZINC001352939008 918137714 /nfs/dbraw/zinc/13/77/14/918137714.db2.gz WGTUGRZFITZSTB-ABAIWWIYSA-N 1 1 308.382 -1.255 20 0 DAADMO O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001353192820 918146607 /nfs/dbraw/zinc/14/66/07/918146607.db2.gz CVWMIUYIWNNHLS-OUAUKWLOSA-N 1 1 315.395 -1.357 20 0 DAADMO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001353665109 918157772 /nfs/dbraw/zinc/15/77/72/918157772.db2.gz VTISBZDVYDPFSH-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001353665109 918157784 /nfs/dbraw/zinc/15/77/84/918157784.db2.gz VTISBZDVYDPFSH-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310500 918170816 /nfs/dbraw/zinc/17/08/16/918170816.db2.gz JGPLEUASOVOPSH-QWRGUYRKSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310500 918170824 /nfs/dbraw/zinc/17/08/24/918170824.db2.gz JGPLEUASOVOPSH-QWRGUYRKSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310498 918171546 /nfs/dbraw/zinc/17/15/46/918171546.db2.gz JGPLEUASOVOPSH-MNOVXSKESA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)C1 ZINC001354310498 918171559 /nfs/dbraw/zinc/17/15/59/918171559.db2.gz JGPLEUASOVOPSH-MNOVXSKESA-N 1 1 314.386 -1.408 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1 ZINC001354585837 918182290 /nfs/dbraw/zinc/18/22/90/918182290.db2.gz ZHVDPPKVODERCR-RNCFNFMXSA-N 1 1 307.358 -1.764 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001354738415 918187652 /nfs/dbraw/zinc/18/76/52/918187652.db2.gz BHYYUVAZHBSWNC-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001354738415 918187660 /nfs/dbraw/zinc/18/76/60/918187660.db2.gz BHYYUVAZHBSWNC-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@H]1C[N@H+](C)CCO1 ZINC001354749511 918189096 /nfs/dbraw/zinc/18/90/96/918189096.db2.gz FGYGSVHOBZXRNA-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cn(C)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC001354749511 918189102 /nfs/dbraw/zinc/18/91/02/918189102.db2.gz FGYGSVHOBZXRNA-ZYHUDNBSSA-N 1 1 309.370 -1.128 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC001354915559 918193543 /nfs/dbraw/zinc/19/35/43/918193543.db2.gz RATVJBCTKDWULK-GMTAPVOTSA-N 1 1 313.354 -1.811 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC001354915559 918193551 /nfs/dbraw/zinc/19/35/51/918193551.db2.gz RATVJBCTKDWULK-GMTAPVOTSA-N 1 1 313.354 -1.811 20 0 DAADMO O=C(CCCC[NH+]1CCOCC1)N1CC2(C1)NC(=O)NC2=O ZINC001355163487 918200139 /nfs/dbraw/zinc/20/01/39/918200139.db2.gz BTQWCNCVEMGJIY-UHFFFAOYSA-N 1 1 310.354 -1.091 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(C)(C)C(N)=O ZINC001355535543 918203234 /nfs/dbraw/zinc/20/32/34/918203234.db2.gz LEZSOVXMHHZQPO-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(C)(C)C(N)=O ZINC001355535543 918203248 /nfs/dbraw/zinc/20/32/48/918203248.db2.gz LEZSOVXMHHZQPO-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCC(F)F ZINC001355614799 918207654 /nfs/dbraw/zinc/20/76/54/918207654.db2.gz MXEDSSFJNLDMGL-SECBINFHSA-N 1 1 320.340 -1.106 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001355741960 918209402 /nfs/dbraw/zinc/20/94/02/918209402.db2.gz AKSKAOMERQNHTA-GHMZBOCLSA-N 1 1 324.381 -1.435 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC001356100049 918217197 /nfs/dbraw/zinc/21/71/97/918217197.db2.gz PGXFYXPIRWAMSO-JTQLQIEISA-N 1 1 319.383 -2.310 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2C(=O)CCC2=O)C1 ZINC001356759369 918242220 /nfs/dbraw/zinc/24/22/20/918242220.db2.gz WJBZWFRPKDYDBJ-UHFFFAOYSA-N 1 1 324.381 -1.196 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C(=O)NCC(F)F)C2)C1 ZINC001356773798 918244154 /nfs/dbraw/zinc/24/41/54/918244154.db2.gz GQFONWQWFVEDKP-MRVPVSSYSA-N 1 1 318.324 -1.354 20 0 DAADMO NC(=O)C(=O)NCC1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001356831291 918254640 /nfs/dbraw/zinc/25/46/40/918254640.db2.gz CUJKWAGEMALWLW-UHFFFAOYSA-N 1 1 319.365 -1.178 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891978 918260491 /nfs/dbraw/zinc/26/04/91/918260491.db2.gz GSIWWPDMKYIQMR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891978 918260508 /nfs/dbraw/zinc/26/05/08/918260508.db2.gz GSIWWPDMKYIQMR-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891976 918261990 /nfs/dbraw/zinc/26/19/90/918261990.db2.gz GSIWWPDMKYIQMR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)NC(=O)CC(N)=O ZINC001356891976 918261997 /nfs/dbraw/zinc/26/19/97/918261997.db2.gz GSIWWPDMKYIQMR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO NOCCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001357165297 918273836 /nfs/dbraw/zinc/27/38/36/918273836.db2.gz DFZYSYMMPBFOIZ-CYBMUJFWSA-N 1 1 315.418 -1.028 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099423 918273995 /nfs/dbraw/zinc/27/39/95/918273995.db2.gz AVPIXAGGWFZHIX-WDEREUQCSA-N 1 1 314.386 -1.551 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099423 918274010 /nfs/dbraw/zinc/27/40/10/918274010.db2.gz AVPIXAGGWFZHIX-WDEREUQCSA-N 1 1 314.386 -1.551 20 0 DAADMO Cn1ccc(=O)n(CCC[NH2+]C[C@@H](O)CN2CCCC2)c1=O ZINC001357165114 918274031 /nfs/dbraw/zinc/27/40/31/918274031.db2.gz CJWQEGVTQDLJRX-CYBMUJFWSA-N 1 1 310.398 -1.017 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099422 918274270 /nfs/dbraw/zinc/27/42/70/918274270.db2.gz AVPIXAGGWFZHIX-QWRGUYRKSA-N 1 1 314.386 -1.551 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099422 918274285 /nfs/dbraw/zinc/27/42/85/918274285.db2.gz AVPIXAGGWFZHIX-QWRGUYRKSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O)C1 ZINC001357400507 918286878 /nfs/dbraw/zinc/28/68/78/918286878.db2.gz STKYRAFGKZFQJA-UWVGGRQHSA-N 1 1 300.359 -2.203 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001357449519 918293137 /nfs/dbraw/zinc/29/31/37/918293137.db2.gz IDWSNANJWGFJED-WDEREUQCSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001357449518 918293818 /nfs/dbraw/zinc/29/38/18/918293818.db2.gz IDWSNANJWGFJED-QWRGUYRKSA-N 1 1 314.386 -1.815 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC/C=C/CNC(=O)Cn1cnnn1 ZINC001357553916 918298505 /nfs/dbraw/zinc/29/85/05/918298505.db2.gz CHTYYFVFANJNHY-NSCUHMNNSA-N 1 1 318.341 -1.333 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001357698408 918303656 /nfs/dbraw/zinc/30/36/56/918303656.db2.gz ZBBGPIALHAEGBF-FSIBCCDJSA-N 1 1 323.357 -2.057 20 0 DAADMO Cn1nnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001357698408 918303666 /nfs/dbraw/zinc/30/36/66/918303666.db2.gz ZBBGPIALHAEGBF-FSIBCCDJSA-N 1 1 323.357 -2.057 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696385 918305317 /nfs/dbraw/zinc/30/53/17/918305317.db2.gz OCGFWQBVEMTZRG-QUCGXOGASA-N 1 1 322.369 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)Cc2nc[nH]n2)C1 ZINC001357696385 918305330 /nfs/dbraw/zinc/30/53/30/918305330.db2.gz OCGFWQBVEMTZRG-QUCGXOGASA-N 1 1 322.369 -1.534 20 0 DAADMO CN1CCN(C)CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001358444253 918322047 /nfs/dbraw/zinc/32/20/47/918322047.db2.gz JVCRECONMAZTDI-ZDUSSCGKSA-N 1 1 323.441 -1.488 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](CO)C(=O)OC)C1 ZINC001361622398 918384776 /nfs/dbraw/zinc/38/47/76/918384776.db2.gz FDEXRZFFOZGPSH-QWRGUYRKSA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](CO)C(=O)OC)C1 ZINC001361622398 918384785 /nfs/dbraw/zinc/38/47/85/918384785.db2.gz FDEXRZFFOZGPSH-QWRGUYRKSA-N 1 1 316.354 -1.088 20 0 DAADMO Cn1nnc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001361809619 918410482 /nfs/dbraw/zinc/41/04/82/918410482.db2.gz YIISNSMAUCSKLQ-UHFFFAOYSA-N 1 1 321.385 -1.164 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(O)CCOC1 ZINC001361830830 918411908 /nfs/dbraw/zinc/41/19/08/918411908.db2.gz QKDBLASQIWBSAX-DZGCQCFKSA-N 1 1 313.398 -1.340 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@]1(O)CCOC1 ZINC001361830842 918412554 /nfs/dbraw/zinc/41/25/54/918412554.db2.gz QKDBLASQIWBSAX-UKRRQHHQSA-N 1 1 313.398 -1.340 20 0 DAADMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001361836046 918415739 /nfs/dbraw/zinc/41/57/39/918415739.db2.gz ZHBKNLYVCXWCHN-RAIGVLPGSA-N 1 1 308.386 -1.051 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001361836046 918415744 /nfs/dbraw/zinc/41/57/44/918415744.db2.gz ZHBKNLYVCXWCHN-RAIGVLPGSA-N 1 1 308.386 -1.051 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001361871574 918417528 /nfs/dbraw/zinc/41/75/28/918417528.db2.gz RKWZARKSGDBRLC-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO CC[N@@H+]1CC[C@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001361857807 918418055 /nfs/dbraw/zinc/41/80/55/918418055.db2.gz XFNZWRXJPQUIQM-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@H+]1CC[C@H]1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001361857807 918418060 /nfs/dbraw/zinc/41/80/60/918418060.db2.gz XFNZWRXJPQUIQM-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001361883239 918419316 /nfs/dbraw/zinc/41/93/16/918419316.db2.gz PMBGWENNEGVXRU-SNVBAGLBSA-N 1 1 322.373 -1.804 20 0 DAADMO C[N@@H+](CC(=O)NCCN1CCCS1(=O)=O)[C@@H]1CCC[C@H]1O ZINC001361945591 918430995 /nfs/dbraw/zinc/43/09/95/918430995.db2.gz YCPVOXBKOVKHGA-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CO[C@]1(C(=O)NCC2(O)CC[NH+](C)CC2)CCS(=O)(=O)C1 ZINC001361943971 918431417 /nfs/dbraw/zinc/43/14/17/918431417.db2.gz LIHNAYQMORXFGC-CYBMUJFWSA-N 1 1 320.411 -1.237 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001362022015 918441893 /nfs/dbraw/zinc/44/18/93/918441893.db2.gz ZONDJWSGNVCFQC-JTQLQIEISA-N 1 1 313.362 -2.128 20 0 DAADMO CN1CC[NH+](C(C)(C)CNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362039529 918443731 /nfs/dbraw/zinc/44/37/31/918443731.db2.gz MRTOTOAKFFDWSC-JTQLQIEISA-N 1 1 301.391 -1.842 20 0 DAADMO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)CN1CC[NH+](C)CC1 ZINC001362038426 918443824 /nfs/dbraw/zinc/44/38/24/918443824.db2.gz KBRGQMUXBNCENE-LLVKDONJSA-N 1 1 323.401 -1.623 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001362057768 918447235 /nfs/dbraw/zinc/44/72/35/918447235.db2.gz IGBMYJGFXNOOSG-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001362059874 918451441 /nfs/dbraw/zinc/45/14/41/918451441.db2.gz QROKJVHWZWHCEN-SDDRHHMPSA-N 1 1 321.385 -1.079 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(N)=O ZINC001362069244 918453388 /nfs/dbraw/zinc/45/33/88/918453388.db2.gz ZBJJGNCMEUDDIM-PWSUYJOCSA-N 1 1 313.402 -1.881 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001362104347 918458898 /nfs/dbraw/zinc/45/88/98/918458898.db2.gz LIWFEGXESOXIEZ-WDEREUQCSA-N 1 1 304.416 -1.017 20 0 DAADMO COCC[NH+]1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 ZINC001362120294 918460676 /nfs/dbraw/zinc/46/06/76/918460676.db2.gz WXSBHIYKENCLGT-UHFFFAOYSA-N 1 1 312.370 -1.252 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001362123742 918461406 /nfs/dbraw/zinc/46/14/06/918461406.db2.gz TUTCLXIQTBABAA-SECBINFHSA-N 1 1 303.388 -1.002 20 0 DAADMO C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H]1C[N@@H+](C)CCN1C ZINC001362128982 918465147 /nfs/dbraw/zinc/46/51/47/918465147.db2.gz OVFUURZFLIQZHE-JGVFFNPUSA-N 1 1 310.358 -1.166 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001362171348 918472644 /nfs/dbraw/zinc/47/26/44/918472644.db2.gz MMRFPNPJXFRATE-VIFPVBQESA-N 1 1 300.340 -1.779 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(O)CCOC2)CC1 ZINC001362207646 918478004 /nfs/dbraw/zinc/47/80/04/918478004.db2.gz KQOWOGNNXUCXOT-IUODEOHRSA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@]2(O)CCOC2)CC1 ZINC001362207628 918478214 /nfs/dbraw/zinc/47/82/14/918478214.db2.gz KQOWOGNNXUCXOT-DOMZBBRYSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1C(N)=O)[C@H]1C[N@@H+](C)CCN1C ZINC001362229211 918480740 /nfs/dbraw/zinc/48/07/40/918480740.db2.gz BFGFVWUGUWKRHK-NXEZZACHSA-N 1 1 306.370 -1.060 20 0 DAADMO CCC[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CC[N@H+]1CCOC ZINC001362269700 918490338 /nfs/dbraw/zinc/49/03/38/918490338.db2.gz WHYONTHGONCKGZ-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO Cc1cn2nnc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2c(=O)[nH]1 ZINC001362317079 918496951 /nfs/dbraw/zinc/49/69/51/918496951.db2.gz AZBGGWNYAUNPKU-ZDUSSCGKSA-N 1 1 306.326 -1.065 20 0 DAADMO CC1=C(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)Cn2nnnc2N1C ZINC001362317261 918497349 /nfs/dbraw/zinc/49/73/49/918497349.db2.gz CLAWDMTYFKWKDP-CYBMUJFWSA-N 1 1 307.358 -1.420 20 0 DAADMO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2nc[nH]n2)cn1 ZINC001362311428 918497428 /nfs/dbraw/zinc/49/74/28/918497428.db2.gz RVXPSDGWUYUUOG-UHFFFAOYSA-N 1 1 320.357 -1.140 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001362357947 918503318 /nfs/dbraw/zinc/50/33/18/918503318.db2.gz RBOMQTFAOFOTOJ-SNVBAGLBSA-N 1 1 322.373 -1.980 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC001362363835 918505988 /nfs/dbraw/zinc/50/59/88/918505988.db2.gz DTAMKODUOCTJBQ-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001362382890 918511244 /nfs/dbraw/zinc/51/12/44/918511244.db2.gz FEDUWWAYDXLJKI-DCAQKATOSA-N 1 1 309.374 -1.223 20 0 DAADMO C[NH+](C)[C@@]1(C(=O)NC[C@@H](O)C(N)=O)COc2ccccc2C1 ZINC001362414789 918516644 /nfs/dbraw/zinc/51/66/44/918516644.db2.gz TYXSPWCPNHLHLW-IAQYHMDHSA-N 1 1 307.350 -1.116 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CCC(O)(C(N)=O)CC2)CC1 ZINC001362437641 918521944 /nfs/dbraw/zinc/52/19/44/918521944.db2.gz QBESURRSLJQGEE-UHFFFAOYSA-N 1 1 312.414 -1.147 20 0 DAADMO C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC001362447793 918522423 /nfs/dbraw/zinc/52/24/23/918522423.db2.gz CKQVSPHZAOPNKY-PHIMTYICSA-N 1 1 307.416 -1.209 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001362466299 918527938 /nfs/dbraw/zinc/52/79/38/918527938.db2.gz ZATGQEPCNRRKPZ-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001362466299 918527952 /nfs/dbraw/zinc/52/79/52/918527952.db2.gz ZATGQEPCNRRKPZ-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362521876 918538925 /nfs/dbraw/zinc/53/89/25/918538925.db2.gz LOSOYSHEGNITJG-VXGBXAGGSA-N 1 1 309.370 -1.001 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1ncn(C)c1=O ZINC001362569545 918552835 /nfs/dbraw/zinc/55/28/35/918552835.db2.gz PVZZZPUTXBTYBV-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO CC1=C(C(=O)N2CC[NH+](C[C@H](C)O)CC2)Cn2nnnc2N1C ZINC001362661726 918572453 /nfs/dbraw/zinc/57/24/53/918572453.db2.gz JGOVDYOCFULPIX-JTQLQIEISA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCS(N)(=O)=O)[C@H](C)C1 ZINC001362684817 918576638 /nfs/dbraw/zinc/57/66/38/918576638.db2.gz IQBDOYVPNJOXKB-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCS(N)(=O)=O)[C@@H](C)C1 ZINC001362684818 918577375 /nfs/dbraw/zinc/57/73/75/918577375.db2.gz IQBDOYVPNJOXKB-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CC[NH+](C)CC1 ZINC001362696321 918579311 /nfs/dbraw/zinc/57/93/11/918579311.db2.gz URVHGMQSLYKXJF-DGCLKSJQSA-N 1 1 319.427 -1.712 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)no1 ZINC001362701206 918579376 /nfs/dbraw/zinc/57/93/76/918579376.db2.gz DCZUJRPYZCCXHL-RKDXNWHRSA-N 1 1 309.326 -1.605 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001362697396 918580331 /nfs/dbraw/zinc/58/03/31/918580331.db2.gz XXZHZVWDWLZRAY-PHIMTYICSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001362702607 918581970 /nfs/dbraw/zinc/58/19/70/918581970.db2.gz BSPDLZCWSDSLKH-CHWSQXEVSA-N 1 1 323.397 -1.153 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001362715190 918584656 /nfs/dbraw/zinc/58/46/56/918584656.db2.gz DOQHCVLNLFEABY-UHFFFAOYSA-N 1 1 316.383 -1.275 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cnc(N)n2)C[C@H]1C ZINC001362745053 918595904 /nfs/dbraw/zinc/59/59/04/918595904.db2.gz YYYIAHONQMAYSB-SNVBAGLBSA-N 1 1 310.358 -1.044 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cnc(N)n2)C[C@H]1C ZINC001362745053 918595889 /nfs/dbraw/zinc/59/58/89/918595889.db2.gz YYYIAHONQMAYSB-SNVBAGLBSA-N 1 1 310.358 -1.044 20 0 DAADMO O=C(CNC(=O)c1ncccc1O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001362756252 918599432 /nfs/dbraw/zinc/59/94/32/918599432.db2.gz VAIQTZCXIUYLOF-JTQLQIEISA-N 1 1 308.338 -1.300 20 0 DAADMO Cn1cc(C2=NO[C@H](C(=O)NC[C@@]3(CO)COCC[NH2+]3)C2)cn1 ZINC001362773282 918601884 /nfs/dbraw/zinc/60/18/84/918601884.db2.gz IYLGOZFDTYSDIT-GXTWGEPZSA-N 1 1 323.353 -1.620 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001362773271 918601907 /nfs/dbraw/zinc/60/19/07/918601907.db2.gz IWULECJFTJYTRF-PWSUYJOCSA-N 1 1 306.384 -1.579 20 0 DAADMO CC(C)CS(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362775812 918604401 /nfs/dbraw/zinc/60/44/01/918604401.db2.gz NHELUPGFUVPABV-GFCCVEGCSA-N 1 1 308.400 -1.476 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)c1=O ZINC001362779921 918604899 /nfs/dbraw/zinc/60/48/99/918604899.db2.gz XOTKKDQPBUSRMV-CYBMUJFWSA-N 1 1 312.326 -2.986 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001362774753 918605046 /nfs/dbraw/zinc/60/50/46/918605046.db2.gz LDPKTQLAEVRZHM-CQSZACIVSA-N 1 1 308.338 -1.478 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362777379 918605314 /nfs/dbraw/zinc/60/53/14/918605314.db2.gz QLAZZIWFQGFVMK-GXFFZTMASA-N 1 1 303.359 -2.413 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@@H+](C)C1 ZINC001362786940 918608379 /nfs/dbraw/zinc/60/83/79/918608379.db2.gz LOJMDXDWKJKKMP-BDAKNGLRSA-N 1 1 302.331 -2.421 20 0 DAADMO C[N@@H+]1CC[C@](O)(CNC(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001362826404 918617531 /nfs/dbraw/zinc/61/75/31/918617531.db2.gz USZQHBNHSKSSBK-LBPRGKRZSA-N 1 1 306.384 -1.770 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C2(CS(C)(=O)=O)COC2)C1 ZINC001362826404 918617548 /nfs/dbraw/zinc/61/75/48/918617548.db2.gz USZQHBNHSKSSBK-LBPRGKRZSA-N 1 1 306.384 -1.770 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001362831028 918620415 /nfs/dbraw/zinc/62/04/15/918620415.db2.gz RIUPISXXYBDZCX-RYMFRWLXSA-N 1 1 312.366 -1.933 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001362848377 918624273 /nfs/dbraw/zinc/62/42/73/918624273.db2.gz NRJQIWPEJPDOBL-ZJUUUORDSA-N 1 1 305.338 -1.143 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362848371 918625158 /nfs/dbraw/zinc/62/51/58/918625158.db2.gz NRJQIWPEJPDOBL-VHSXEESVSA-N 1 1 305.338 -1.143 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001362846793 918625240 /nfs/dbraw/zinc/62/52/40/918625240.db2.gz BBNRRONSMYXEPV-VIFPVBQESA-N 1 1 306.326 -1.293 20 0 DAADMO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001362846793 918625248 /nfs/dbraw/zinc/62/52/48/918625248.db2.gz BBNRRONSMYXEPV-VIFPVBQESA-N 1 1 306.326 -1.293 20 0 DAADMO Cn1ccn2c(CNC(=O)CC[NH+]3CCOCC3)nnc2c1=O ZINC001362855154 918627413 /nfs/dbraw/zinc/62/74/13/918627413.db2.gz VZWUMMVZMPHNJZ-UHFFFAOYSA-N 1 1 320.353 -1.234 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@H]3C[N@H+](C)CCO3)nnc2C1=O ZINC001362857285 918627699 /nfs/dbraw/zinc/62/76/99/918627699.db2.gz ICZWGWJBDPKQTE-SNVBAGLBSA-N 1 1 322.369 -1.647 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@H]3C[N@@H+](C)CCO3)nnc2C1=O ZINC001362857285 918627702 /nfs/dbraw/zinc/62/77/02/918627702.db2.gz ICZWGWJBDPKQTE-SNVBAGLBSA-N 1 1 322.369 -1.647 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@H]3CC[N@@H+](C)C3)nnc2C1=O ZINC001362860651 918629112 /nfs/dbraw/zinc/62/91/12/918629112.db2.gz XMJFTXMGNDQPFS-JTQLQIEISA-N 1 1 306.370 -1.026 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362872886 918631736 /nfs/dbraw/zinc/63/17/36/918631736.db2.gz KUUULYOOSCSGSS-GHMZBOCLSA-N 1 1 305.400 -1.277 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362872922 918632282 /nfs/dbraw/zinc/63/22/82/918632282.db2.gz KUUULYOOSCSGSS-WDEREUQCSA-N 1 1 305.400 -1.277 20 0 DAADMO C[N@@H+](CC(=O)N1CC2(C1)C[C@H](O)CNC2=O)[C@@H]1CCC[C@H]1O ZINC001362898423 918637446 /nfs/dbraw/zinc/63/74/46/918637446.db2.gz LWPZLZXSRNZESG-QJPTWQEYSA-N 1 1 311.382 -1.459 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)C1 ZINC001362922456 918645585 /nfs/dbraw/zinc/64/55/85/918645585.db2.gz OVEOGIPAJPFHPT-UHFFFAOYSA-N 1 1 321.381 -1.235 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001362928189 918647023 /nfs/dbraw/zinc/64/70/23/918647023.db2.gz BGJVJARCAZZCDP-UHFFFAOYSA-N 1 1 319.369 -1.473 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001362928819 918648569 /nfs/dbraw/zinc/64/85/69/918648569.db2.gz PXNWQUITVGQJQZ-UHFFFAOYSA-N 1 1 309.326 -1.126 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001363009780 918666325 /nfs/dbraw/zinc/66/63/25/918666325.db2.gz FPUQOLBIHDDWKU-JTQLQIEISA-N 1 1 313.362 -2.392 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363012810 918667478 /nfs/dbraw/zinc/66/74/78/918667478.db2.gz YSQIEBXUBSTYND-CYBMUJFWSA-N 1 1 324.381 -1.687 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001363023116 918670611 /nfs/dbraw/zinc/67/06/11/918670611.db2.gz JQNSXBYREMSCQU-CMPLNLGQSA-N 1 1 319.365 -1.340 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C(N)=O ZINC001363029520 918674458 /nfs/dbraw/zinc/67/44/58/918674458.db2.gz CXUSHLHONJBUPJ-KOLCDFICSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](CCO)C[C@H]1C)C(N)=O ZINC001363029520 918674469 /nfs/dbraw/zinc/67/44/69/918674469.db2.gz CXUSHLHONJBUPJ-KOLCDFICSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001363045982 918677870 /nfs/dbraw/zinc/67/78/70/918677870.db2.gz DMIZUTWSTVDGEU-UHFFFAOYSA-N 1 1 318.399 -1.331 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CNC(=O)c1ncccc1O ZINC001363051251 918679086 /nfs/dbraw/zinc/67/90/86/918679086.db2.gz LLENJHYZLKPUBE-UHFFFAOYSA-N 1 1 310.354 -1.101 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084718 918686883 /nfs/dbraw/zinc/68/68/83/918686883.db2.gz UUYFYZWBFBXXAS-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084718 918686888 /nfs/dbraw/zinc/68/68/88/918686888.db2.gz UUYFYZWBFBXXAS-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001363080524 918687918 /nfs/dbraw/zinc/68/79/18/918687918.db2.gz ARUYVODTRLDELF-UHFFFAOYSA-N 1 1 315.395 -1.031 20 0 DAADMO CCN1CC[NH+](CCC(=O)N[C@H](CO)c2nncn2C)CC1 ZINC001363115695 918696365 /nfs/dbraw/zinc/69/63/65/918696365.db2.gz ZRZDYIFQRKQAQF-GFCCVEGCSA-N 1 1 310.402 -1.008 20 0 DAADMO COCCn1nc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1=O ZINC001363126797 918698644 /nfs/dbraw/zinc/69/86/44/918698644.db2.gz FMHHAZGARPKPLX-LLVKDONJSA-N 1 1 310.354 -1.314 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001363170556 918711111 /nfs/dbraw/zinc/71/11/11/918711111.db2.gz JLRADQDJPDUXSM-SWLSCSKDSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363172925 918712356 /nfs/dbraw/zinc/71/23/56/918712356.db2.gz JXKIQFPAIQAFRB-GFCCVEGCSA-N 1 1 321.399 -2.121 20 0 DAADMO Cc1cn2nnc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)c2c(=O)[nH]1 ZINC001363180966 918713493 /nfs/dbraw/zinc/71/34/93/918713493.db2.gz XXFXMZXMFKIOGU-CYBMUJFWSA-N 1 1 322.325 -1.781 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001363177517 918715033 /nfs/dbraw/zinc/71/50/33/918715033.db2.gz PFDQRPUIBYUVMR-RNCFNFMXSA-N 1 1 311.342 -1.987 20 0 DAADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC(O)(C(N)=O)C1 ZINC001363182726 918715057 /nfs/dbraw/zinc/71/50/57/918715057.db2.gz GHGSJHFXWMNQSW-UHFFFAOYSA-N 1 1 318.337 -1.105 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001363201528 918718629 /nfs/dbraw/zinc/71/86/29/918718629.db2.gz ANVTUBYWXFKLNH-BDAKNGLRSA-N 1 1 320.371 -2.731 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001363201597 918719589 /nfs/dbraw/zinc/71/95/89/918719589.db2.gz ANVTUBYWXFKLNH-RKDXNWHRSA-N 1 1 320.371 -2.731 20 0 DAADMO NC(=O)c1cccnc1N1CC[NH+](CCn2cnnn2)CC1 ZINC001363195554 918720785 /nfs/dbraw/zinc/72/07/85/918720785.db2.gz HPTIHCLNDBJFNK-UHFFFAOYSA-N 1 1 302.342 -1.011 20 0 DAADMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC001363213565 918725716 /nfs/dbraw/zinc/72/57/16/918725716.db2.gz WLBJYBWQYJVCJV-GHMZBOCLSA-N 1 1 308.400 -1.358 20 0 DAADMO Cn1cc(-c2n[nH]cc2C(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC001363275097 918741497 /nfs/dbraw/zinc/74/14/97/918741497.db2.gz VCRLHADGDNFKIA-AWEZNQCLSA-N 1 1 320.353 -1.109 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363274903 918741924 /nfs/dbraw/zinc/74/19/24/918741924.db2.gz SGYSLMZYCXIAJD-MFKMUULPSA-N 1 1 302.375 -1.319 20 0 DAADMO NC(=O)COc1cccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001363269436 918741979 /nfs/dbraw/zinc/74/19/79/918741979.db2.gz IOJFOIZZIIHIPL-HNNXBMFYSA-N 1 1 323.349 -1.369 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCc2nncn2CC1 ZINC001363274963 918742303 /nfs/dbraw/zinc/74/23/03/918742303.db2.gz SQZZFYXJSLGYKV-RISCZKNCSA-N 1 1 309.370 -1.302 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363268961 918742946 /nfs/dbraw/zinc/74/29/46/918742946.db2.gz HQOQENIKRDLXGB-AWEZNQCLSA-N 1 1 316.402 -2.090 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCc2nncn2CC1 ZINC001363274958 918743279 /nfs/dbraw/zinc/74/32/79/918743279.db2.gz SQZZFYXJSLGYKV-FZMZJTMJSA-N 1 1 309.370 -1.302 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001363288768 918749257 /nfs/dbraw/zinc/74/92/57/918749257.db2.gz PWEZMDUWUZQJBT-JTQLQIEISA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001363288768 918749265 /nfs/dbraw/zinc/74/92/65/918749265.db2.gz PWEZMDUWUZQJBT-JTQLQIEISA-N 1 1 300.359 -2.236 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001363288626 918750015 /nfs/dbraw/zinc/75/00/15/918750015.db2.gz OXEGOIWAOGRISD-LLVKDONJSA-N 1 1 312.370 -1.518 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC001363288626 918750028 /nfs/dbraw/zinc/75/00/28/918750028.db2.gz OXEGOIWAOGRISD-LLVKDONJSA-N 1 1 312.370 -1.518 20 0 DAADMO Nc1nn2c(nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3CO)cc2=O)[nH]1 ZINC001363299389 918752797 /nfs/dbraw/zinc/75/27/97/918752797.db2.gz WADPQMNZSDCFEU-WDEREUQCSA-N 1 1 319.369 -1.359 20 0 DAADMO CC(=O)c1nc(CC[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)[nH]c1C ZINC001363302432 918754164 /nfs/dbraw/zinc/75/41/64/918754164.db2.gz BKNLTQZVMPJINZ-AOOOYVTPSA-N 1 1 307.354 -1.018 20 0 DAADMO CC(=O)c1[nH]c(CC[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)nc1C ZINC001363302432 918754177 /nfs/dbraw/zinc/75/41/77/918754177.db2.gz BKNLTQZVMPJINZ-AOOOYVTPSA-N 1 1 307.354 -1.018 20 0 DAADMO CC(=O)c1[nH]c(CC[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)nc1C ZINC001363302432 918754185 /nfs/dbraw/zinc/75/41/85/918754185.db2.gz BKNLTQZVMPJINZ-AOOOYVTPSA-N 1 1 307.354 -1.018 20 0 DAADMO CC(=O)c1[nH]c(CC[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)nc1C ZINC001363302434 918754734 /nfs/dbraw/zinc/75/47/34/918754734.db2.gz BKNLTQZVMPJINZ-UWVGGRQHSA-N 1 1 307.354 -1.018 20 0 DAADMO NS(=O)(=O)N1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001363332135 918763173 /nfs/dbraw/zinc/76/31/73/918763173.db2.gz WTMSCYRJCAQVNI-UHFFFAOYSA-N 1 1 320.415 -1.507 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@H+](C)C1 ZINC001363363531 918767252 /nfs/dbraw/zinc/76/72/52/918767252.db2.gz PITBEGCDFAFNCT-VIFPVBQESA-N 1 1 324.341 -2.060 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[N@@H+](C)C1 ZINC001363363531 918767265 /nfs/dbraw/zinc/76/72/65/918767265.db2.gz PITBEGCDFAFNCT-VIFPVBQESA-N 1 1 324.341 -2.060 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@H+](C)C1 ZINC001363360156 918767932 /nfs/dbraw/zinc/76/79/32/918767932.db2.gz IGUYHRKSWZHZHL-SECBINFHSA-N 1 1 321.337 -1.248 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@@H+](C)C1 ZINC001363360156 918767944 /nfs/dbraw/zinc/76/79/44/918767944.db2.gz IGUYHRKSWZHZHL-SECBINFHSA-N 1 1 321.337 -1.248 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@H+](C)C1 ZINC001363360163 918768592 /nfs/dbraw/zinc/76/85/92/918768592.db2.gz IGUYHRKSWZHZHL-VIFPVBQESA-N 1 1 321.337 -1.248 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[N@@H+](C)C1 ZINC001363360163 918768603 /nfs/dbraw/zinc/76/86/03/918768603.db2.gz IGUYHRKSWZHZHL-VIFPVBQESA-N 1 1 321.337 -1.248 20 0 DAADMO C[C@@H](C(=O)NC(C)(C)CNS(N)(=O)=O)N1CC[NH+](C)CC1 ZINC001363378584 918769966 /nfs/dbraw/zinc/76/99/66/918769966.db2.gz ZHCVIYGSROETEH-JTQLQIEISA-N 1 1 321.447 -1.690 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC(C)(C)CNS(N)(=O)=O)C1 ZINC001363378569 918770894 /nfs/dbraw/zinc/77/08/94/918770894.db2.gz YWWWKCXKELZCPE-GFCCVEGCSA-N 1 1 322.431 -1.479 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C[N@H+]1CCO ZINC001363389516 918773051 /nfs/dbraw/zinc/77/30/51/918773051.db2.gz AZYCCFJSIMXSPE-MNOVXSKESA-N 1 1 324.381 -1.389 20 0 DAADMO CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001363404149 918777889 /nfs/dbraw/zinc/77/78/89/918777889.db2.gz PJWDWIRUCMEXFK-JTQLQIEISA-N 1 1 316.383 -1.296 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCn2ccc(=O)[nH]c2=O)C1 ZINC001363428945 918785523 /nfs/dbraw/zinc/78/55/23/918785523.db2.gz BUJJAUIGRDTZKG-CQSZACIVSA-N 1 1 310.354 -1.088 20 0 DAADMO O=C(c1cn(C(F)(F)CO)nn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001363466387 918792714 /nfs/dbraw/zinc/79/27/14/918792714.db2.gz MWFCOOIRWIWTQA-DTWKUNHWSA-N 1 1 317.296 -1.289 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001363488956 918799157 /nfs/dbraw/zinc/79/91/57/918799157.db2.gz KCBPGIKTTSOBBJ-UHFFFAOYSA-N 1 1 307.301 -1.184 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001363516374 918810733 /nfs/dbraw/zinc/81/07/33/918810733.db2.gz FWTYUFNGWBVDPY-YGRLFVJLSA-N 1 1 315.370 -1.373 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001363522624 918812651 /nfs/dbraw/zinc/81/26/51/918812651.db2.gz AIBKMMDVBRBQQA-SKDRFNHKSA-N 1 1 307.416 -1.128 20 0 DAADMO COc1ncnc(OC)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363522741 918813101 /nfs/dbraw/zinc/81/31/01/918813101.db2.gz BSPCYHYPWMXXBS-CYBMUJFWSA-N 1 1 312.326 -1.426 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001363522613 918813372 /nfs/dbraw/zinc/81/33/72/918813372.db2.gz AIBKMMDVBRBQQA-CABZTGNLSA-N 1 1 307.416 -1.128 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363523983 918813678 /nfs/dbraw/zinc/81/36/78/918813678.db2.gz GDBUZKAFNSVGRN-ZWNOBZJWSA-N 1 1 300.359 -1.756 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)NC[C@]1(CO)COCC[NH2+]1 ZINC001363527597 918815691 /nfs/dbraw/zinc/81/56/91/918815691.db2.gz SNBQZCPUDHGHLQ-AWEZNQCLSA-N 1 1 309.370 -1.376 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC001363524965 918815997 /nfs/dbraw/zinc/81/59/97/918815997.db2.gz UGINCQAPLBAMEN-SCZZXKLOSA-N 1 1 301.372 -1.261 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2n(n1)CCC[C@H]2O ZINC001363525531 918816072 /nfs/dbraw/zinc/81/60/72/918816072.db2.gz MGHOCUWLWJSEIJ-TZMCWYRMSA-N 1 1 310.354 -1.209 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363525502 918816489 /nfs/dbraw/zinc/81/64/89/918816489.db2.gz KYJPTKYNMVRZHV-LBPRGKRZSA-N 1 1 302.331 -3.294 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC001363525015 918816781 /nfs/dbraw/zinc/81/67/81/918816781.db2.gz UGINCQAPLBAMEN-WPRPVWTQSA-N 1 1 301.372 -1.261 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001363548474 918824731 /nfs/dbraw/zinc/82/47/31/918824731.db2.gz DZMVDIOWLNYUSZ-XRHZXQNYSA-N 1 1 310.350 -1.110 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001363602610 918841291 /nfs/dbraw/zinc/84/12/91/918841291.db2.gz AXONINSCJVRHDM-MNOVXSKESA-N 1 1 302.400 -1.311 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N2CC([NH2+]C3COC3)C2)co1 ZINC001363648593 918849936 /nfs/dbraw/zinc/84/99/36/918849936.db2.gz MLRJKEKAIHUOKU-UHFFFAOYSA-N 1 1 301.324 -1.260 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1CC([NH2+]C2COC2)C1 ZINC001363648578 918850061 /nfs/dbraw/zinc/85/00/61/918850061.db2.gz MFPZKMMACNXZJZ-UHFFFAOYSA-N 1 1 301.310 -1.130 20 0 DAADMO CC1=C(C(=O)N2CC([NH2+]C3COC3)C2)S(=O)(=O)CCO1 ZINC001363644102 918850593 /nfs/dbraw/zinc/85/05/93/918850593.db2.gz FDNVFKIIPAJDIB-UHFFFAOYSA-N 1 1 302.352 -1.138 20 0 DAADMO CN1CCN(C(=O)CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001363686158 918859789 /nfs/dbraw/zinc/85/97/89/918859789.db2.gz BENNHVBSXZHZBL-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCn2c(CO)nnc2C1 ZINC001363778568 918875936 /nfs/dbraw/zinc/87/59/36/918875936.db2.gz DWHXUGDCYKUYDG-UHFFFAOYSA-N 1 1 311.342 -1.393 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCn2c(CO)nnc2C1 ZINC001363778568 918875952 /nfs/dbraw/zinc/87/59/52/918875952.db2.gz DWHXUGDCYKUYDG-UHFFFAOYSA-N 1 1 311.342 -1.393 20 0 DAADMO COCC[N@H+](CCC(=O)NCC(=O)OC)CC(=O)N(C)C ZINC001363775539 918876359 /nfs/dbraw/zinc/87/63/59/918876359.db2.gz ZGTUYKSUGLQOSO-UHFFFAOYSA-N 1 1 303.359 -1.298 20 0 DAADMO COCC[N@@H+](CCC(=O)NCC(=O)OC)CC(=O)N(C)C ZINC001363775539 918876371 /nfs/dbraw/zinc/87/63/71/918876371.db2.gz ZGTUYKSUGLQOSO-UHFFFAOYSA-N 1 1 303.359 -1.298 20 0 DAADMO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001363775688 918876687 /nfs/dbraw/zinc/87/66/87/918876687.db2.gz STGIFZJZHNMCPI-SWLSCSKDSA-N 1 1 315.414 -1.230 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CC([NH2+]C2COC2)C1 ZINC001363777476 918877713 /nfs/dbraw/zinc/87/77/13/918877713.db2.gz PAXWKXBYHFWJBB-UHFFFAOYSA-N 1 1 307.354 -1.420 20 0 DAADMO NC(=O)[C@](O)(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC001363792570 918881595 /nfs/dbraw/zinc/88/15/95/918881595.db2.gz CSAAENGIQOCRTP-IOASZLSFSA-N 1 1 319.361 -1.051 20 0 DAADMO CC(C)(C)n1nnc(CC[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001363806304 918885364 /nfs/dbraw/zinc/88/53/64/918885364.db2.gz JVDMKYVKHLNZGT-DTORHVGOSA-N 1 1 309.374 -1.511 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC001363819038 918886272 /nfs/dbraw/zinc/88/62/72/918886272.db2.gz MGTOPJISMYCLMM-CABCVRRESA-N 1 1 308.334 -1.031 20 0 DAADMO NC(=O)[C@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815203 918887761 /nfs/dbraw/zinc/88/77/61/918887761.db2.gz XMJMEQONNXJYPZ-RNJXMRFFSA-N 1 1 322.287 -1.332 20 0 DAADMO NC(=O)[C@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815203 918887778 /nfs/dbraw/zinc/88/77/78/918887778.db2.gz XMJMEQONNXJYPZ-RNJXMRFFSA-N 1 1 322.287 -1.332 20 0 DAADMO NC(=O)[C@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815022 918888636 /nfs/dbraw/zinc/88/86/36/918888636.db2.gz XMJMEQONNXJYPZ-GJMOJQLCSA-N 1 1 322.287 -1.332 20 0 DAADMO NC(=O)[C@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815022 918888652 /nfs/dbraw/zinc/88/86/52/918888652.db2.gz XMJMEQONNXJYPZ-GJMOJQLCSA-N 1 1 322.287 -1.332 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NCc2cn(CC(N)=O)nn2)CC1 ZINC001363874715 918898376 /nfs/dbraw/zinc/89/83/76/918898376.db2.gz XZZPPHYPWSZFBX-UHFFFAOYSA-N 1 1 323.401 -1.594 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nn1 ZINC001363888034 918904237 /nfs/dbraw/zinc/90/42/37/918904237.db2.gz SKOQRZCRKMRIKV-VXGBXAGGSA-N 1 1 322.369 -1.565 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001363939419 918909801 /nfs/dbraw/zinc/90/98/01/918909801.db2.gz KFJISWKIYMSWSH-JTQLQIEISA-N 1 1 313.445 -1.203 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)C[C@H]1C(N)=O ZINC001363951228 918913944 /nfs/dbraw/zinc/91/39/44/918913944.db2.gz RACHHPVESSFATA-AOOOYVTPSA-N 1 1 306.322 -1.129 20 0 DAADMO CN1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001363982579 918919840 /nfs/dbraw/zinc/91/98/40/918919840.db2.gz RMFJMGHQUXPHJM-CYBMUJFWSA-N 1 1 320.459 -1.085 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)Cc2ccno2)CC1 ZINC001364037628 918934257 /nfs/dbraw/zinc/93/42/57/918934257.db2.gz XAHYHAYXWHUCFO-UHFFFAOYSA-N 1 1 302.356 -1.132 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001364055741 918941408 /nfs/dbraw/zinc/94/14/08/918941408.db2.gz BWKWFBJEKHWUJN-IVZWLZJFSA-N 1 1 302.400 -1.288 20 0 DAADMO Cn1cc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c(=O)[nH]c1=O ZINC001364175089 918959768 /nfs/dbraw/zinc/95/97/68/918959768.db2.gz BZWJXSDQYNVGOC-UHFFFAOYSA-N 1 1 316.383 -1.001 20 0 DAADMO O=C(NCCn1cncn1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364223454 918969099 /nfs/dbraw/zinc/96/90/99/918969099.db2.gz ZDDURXYSHYBDET-GXTWGEPZSA-N 1 1 324.385 -1.197 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H](CO)C1 ZINC001364228481 918969715 /nfs/dbraw/zinc/96/97/15/918969715.db2.gz WGEQLZGPDJWSDY-SNVBAGLBSA-N 1 1 306.326 -1.974 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H](CO)C1 ZINC001364228481 918969730 /nfs/dbraw/zinc/96/97/30/918969730.db2.gz WGEQLZGPDJWSDY-SNVBAGLBSA-N 1 1 306.326 -1.974 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2nc3ncccn3n2)C1 ZINC001364299751 918980869 /nfs/dbraw/zinc/98/08/69/918980869.db2.gz BFPFTXBXZGRWPT-ZDUSSCGKSA-N 1 1 305.342 -1.010 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N1CC(NS(N)(=O)=O)C1 ZINC001364312612 918983145 /nfs/dbraw/zinc/98/31/45/918983145.db2.gz WVEAALRHPLAVKL-UHFFFAOYSA-N 1 1 301.372 -1.024 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1nnc2n1CCOC2 ZINC001364310124 918984018 /nfs/dbraw/zinc/98/40/18/918984018.db2.gz BMAGQIFISROTAL-NSHDSACASA-N 1 1 323.401 -1.147 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)C2=C3CCCN=C3NN2)CC1 ZINC001364304836 918984344 /nfs/dbraw/zinc/98/43/44/918984344.db2.gz BRHWDSFEIXVXFS-UHFFFAOYSA-N 1 1 306.370 -1.394 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC(O)(C(N)=O)C2)cn1 ZINC001364315972 918986986 /nfs/dbraw/zinc/98/69/86/918986986.db2.gz NTDLRTJMNASMMA-NEPJUHHUSA-N 1 1 321.381 -1.486 20 0 DAADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC(O)(C(N)=O)C2)cn1 ZINC001364315984 918987092 /nfs/dbraw/zinc/98/70/92/918987092.db2.gz NTDLRTJMNASMMA-VXGBXAGGSA-N 1 1 321.381 -1.486 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001364338956 918990361 /nfs/dbraw/zinc/99/03/61/918990361.db2.gz KUIZZGIVEIUZBU-ZDUSSCGKSA-N 1 1 321.341 -1.717 20 0 DAADMO NC(=O)CN1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001364356792 918995705 /nfs/dbraw/zinc/99/57/05/918995705.db2.gz IKNYIYRXEJYQCT-GFCCVEGCSA-N 1 1 301.387 -1.618 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCCC2)N1CC([NH2+]C2COC2)C1 ZINC001364362053 918996099 /nfs/dbraw/zinc/99/60/99/918996099.db2.gz NZEGPBVKTUXWIY-UHFFFAOYSA-N 1 1 321.381 -1.030 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC001364403871 919003848 /nfs/dbraw/zinc/00/38/48/919003848.db2.gz DABDSOHXCPGAAD-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO CS(=O)(=O)N1CC(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC001364385982 919004999 /nfs/dbraw/zinc/00/49/99/919004999.db2.gz GFTRIMBIIDCXML-JTQLQIEISA-N 1 1 311.429 -1.369 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC001364385982 919005014 /nfs/dbraw/zinc/00/50/14/919005014.db2.gz GFTRIMBIIDCXML-JTQLQIEISA-N 1 1 311.429 -1.369 20 0 DAADMO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001364409719 919007940 /nfs/dbraw/zinc/00/79/40/919007940.db2.gz OALNKCRICKQRLY-JQWIXIFHSA-N 1 1 319.427 -1.018 20 0 DAADMO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001364406474 919008841 /nfs/dbraw/zinc/00/88/41/919008841.db2.gz VTGVKEINEHXMOT-NSHDSACASA-N 1 1 309.432 -1.021 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001364433363 919011689 /nfs/dbraw/zinc/01/16/89/919011689.db2.gz ZKNDZLOGGKZLFU-UHFFFAOYSA-N 1 1 324.345 -1.940 20 0 DAADMO NS(=O)(=O)NC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001364469915 919016488 /nfs/dbraw/zinc/01/64/88/919016488.db2.gz JNICINNQDQXFBY-SECBINFHSA-N 1 1 311.429 -1.321 20 0 DAADMO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364453282 919016576 /nfs/dbraw/zinc/01/65/76/919016576.db2.gz YMQOCIYLFYZPRD-AOOOYVTPSA-N 1 1 305.400 -1.282 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364470333 919017652 /nfs/dbraw/zinc/01/76/52/919017652.db2.gz VFYLNWWXPMJWRV-PHIMTYICSA-N 1 1 311.386 -2.331 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cn1 ZINC001364470261 919017822 /nfs/dbraw/zinc/01/78/22/919017822.db2.gz AKLVRJFOFDUJEW-CQSZACIVSA-N 1 1 308.338 -1.478 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364470357 919018145 /nfs/dbraw/zinc/01/81/45/919018145.db2.gz BVWRQWWFUAXJQH-PWSUYJOCSA-N 1 1 323.415 -1.973 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364470358 919018539 /nfs/dbraw/zinc/01/85/39/919018539.db2.gz BVWRQWWFUAXJQH-ZYHUDNBSSA-N 1 1 323.415 -1.973 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnn(C[C@@H](O)CO)c1 ZINC001364472135 919018868 /nfs/dbraw/zinc/01/88/68/919018868.db2.gz UFOFBWVTHBIERJ-DGCLKSJQSA-N 1 1 314.342 -2.683 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471547 919019130 /nfs/dbraw/zinc/01/91/30/919019130.db2.gz MFUXJIFHHRTULR-LBPRGKRZSA-N 1 1 308.400 -1.333 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001364471298 919019305 /nfs/dbraw/zinc/01/93/05/919019305.db2.gz ICJHCKIXCQHOCP-JQWIXIFHSA-N 1 1 321.399 -2.123 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364471302 919020012 /nfs/dbraw/zinc/02/00/12/919020012.db2.gz ICJHCKIXCQHOCP-ZYHUDNBSSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001364471917 919020076 /nfs/dbraw/zinc/02/00/76/919020076.db2.gz QTOJHARVHVNAOB-HZMBPMFUSA-N 1 1 323.353 -1.770 20 0 DAADMO CN(Cc1nnc2n1CCNC2=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001364494783 919023221 /nfs/dbraw/zinc/02/32/21/919023221.db2.gz QNMHOFRFFOEAKJ-LLVKDONJSA-N 1 1 308.386 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001364504675 919023885 /nfs/dbraw/zinc/02/38/85/919023885.db2.gz INVKIHUXNGAIHC-JTQLQIEISA-N 1 1 317.411 -1.123 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001364507657 919025322 /nfs/dbraw/zinc/02/53/22/919025322.db2.gz WOUBBLHOTVCFCA-ZJUUUORDSA-N 1 1 321.399 -1.465 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001364507657 919025339 /nfs/dbraw/zinc/02/53/39/919025339.db2.gz WOUBBLHOTVCFCA-ZJUUUORDSA-N 1 1 321.399 -1.465 20 0 DAADMO NS(=O)(=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001364503580 919025588 /nfs/dbraw/zinc/02/55/88/919025588.db2.gz PODAVRLMJHUTMA-JTQLQIEISA-N 1 1 309.388 -2.290 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCN21 ZINC001364501453 919026362 /nfs/dbraw/zinc/02/63/62/919026362.db2.gz JAIYEQUELVWSSL-GRYCIOLGSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCN21 ZINC001364501453 919026378 /nfs/dbraw/zinc/02/63/78/919026378.db2.gz JAIYEQUELVWSSL-GRYCIOLGSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCN21 ZINC001364501460 919026467 /nfs/dbraw/zinc/02/64/67/919026467.db2.gz JAIYEQUELVWSSL-WOPDTQHZSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCN21 ZINC001364501460 919026482 /nfs/dbraw/zinc/02/64/82/919026482.db2.gz JAIYEQUELVWSSL-WOPDTQHZSA-N 1 1 321.399 -2.277 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1C(=O)OC ZINC001364530846 919027148 /nfs/dbraw/zinc/02/71/48/919027148.db2.gz LOAXUUGPDILLCR-DTORHVGOSA-N 1 1 315.326 -1.145 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001364522474 919028683 /nfs/dbraw/zinc/02/86/83/919028683.db2.gz SXXTVPLWRKZNPB-RYUDHWBXSA-N 1 1 317.386 -1.759 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530397 919028728 /nfs/dbraw/zinc/02/87/28/919028728.db2.gz NKJGFNOIXRRRMO-KGLIPLIRSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364530397 919028741 /nfs/dbraw/zinc/02/87/41/919028741.db2.gz NKJGFNOIXRRRMO-KGLIPLIRSA-N 1 1 302.371 -1.321 20 0 DAADMO CNC(=O)C[NH+]1CCC(NCc2cn(CC(N)=O)nn2)CC1 ZINC001364580110 919037108 /nfs/dbraw/zinc/03/71/08/919037108.db2.gz RMYVYGQYMASRGF-UHFFFAOYSA-N 1 1 309.374 -1.937 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)NC[C@H](O)Cn1ccnn1 ZINC001364635389 919042731 /nfs/dbraw/zinc/04/27/31/919042731.db2.gz UPYYAPJXUFUXOB-LBPRGKRZSA-N 1 1 312.374 -1.340 20 0 DAADMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC001364654484 919044235 /nfs/dbraw/zinc/04/42/35/919044235.db2.gz BTWJKGZYFZJEHW-CMPLNLGQSA-N 1 1 308.400 -1.094 20 0 DAADMO Cn1nncc1CNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001364670903 919047716 /nfs/dbraw/zinc/04/77/16/919047716.db2.gz YRQNVRAZRYDPQH-SMDDNHRTSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CC[C@](O)(CNC(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001364667899 919048171 /nfs/dbraw/zinc/04/81/71/919048171.db2.gz CSGUIFAUBGLJRQ-LBPRGKRZSA-N 1 1 305.400 -1.071 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCS(=O)(=O)C2CC2)C1 ZINC001364667899 919048184 /nfs/dbraw/zinc/04/81/84/919048184.db2.gz CSGUIFAUBGLJRQ-LBPRGKRZSA-N 1 1 305.400 -1.071 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1nc2ncccn2n1 ZINC001364673185 919049265 /nfs/dbraw/zinc/04/92/65/919049265.db2.gz JFOGXUYBRVFTOW-SNVBAGLBSA-N 1 1 305.342 -1.010 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)nnc2C1=O ZINC001364681921 919049308 /nfs/dbraw/zinc/04/93/08/919049308.db2.gz BVBVSBNIOLBZDG-LKFCYVNXSA-N 1 1 322.369 -1.565 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)nnc2C1=O ZINC001364681921 919049319 /nfs/dbraw/zinc/04/93/19/919049319.db2.gz BVBVSBNIOLBZDG-LKFCYVNXSA-N 1 1 322.369 -1.565 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001364674008 919049420 /nfs/dbraw/zinc/04/94/20/919049420.db2.gz BLPQUWYUDMYRKE-VIFPVBQESA-N 1 1 319.387 -1.132 20 0 DAADMO CNC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697097 919052163 /nfs/dbraw/zinc/05/21/63/919052163.db2.gz YPTXJFWEIKHYBN-NWDGAFQWSA-N 1 1 302.371 -1.274 20 0 DAADMO CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697097 919052179 /nfs/dbraw/zinc/05/21/79/919052179.db2.gz YPTXJFWEIKHYBN-NWDGAFQWSA-N 1 1 302.371 -1.274 20 0 DAADMO COC(=O)c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1C ZINC001364701615 919054392 /nfs/dbraw/zinc/05/43/92/919054392.db2.gz ANGTXIQBLATFDG-AOOOYVTPSA-N 1 1 308.338 -1.170 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+](CCO)C[C@H](C)O)CC1 ZINC001364733503 919059556 /nfs/dbraw/zinc/05/95/56/919059556.db2.gz XHPARVIHSXKREM-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+](CCO)C[C@H](C)O)CC1 ZINC001364733503 919059568 /nfs/dbraw/zinc/05/95/68/919059568.db2.gz XHPARVIHSXKREM-NSHDSACASA-N 1 1 301.387 -1.211 20 0 DAADMO CCN(CC(F)(F)F)C(=O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364755242 919062727 /nfs/dbraw/zinc/06/27/27/919062727.db2.gz KESGWTUMTLHAIM-YUMQZZPRSA-N 1 1 324.303 -1.084 20 0 DAADMO CS(=O)(=O)CC1(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364755805 919062872 /nfs/dbraw/zinc/06/28/72/919062872.db2.gz LJMXZMQRKFVBDE-DTORHVGOSA-N 1 1 303.384 -1.670 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)C1 ZINC001364780876 919064993 /nfs/dbraw/zinc/06/49/93/919064993.db2.gz IVEXIYFZIZBHQA-UHFFFAOYSA-N 1 1 308.342 -1.458 20 0 DAADMO Cn1cnnc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001364783968 919065109 /nfs/dbraw/zinc/06/51/09/919065109.db2.gz LNWCZTJXIWCCKP-UHFFFAOYSA-N 1 1 316.387 -1.743 20 0 DAADMO C[N@@H+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)[C@H](CO)C1 ZINC001364777096 919066066 /nfs/dbraw/zinc/06/60/66/919066066.db2.gz HVHRITUDTMGDQB-ZDUSSCGKSA-N 1 1 313.398 -1.040 20 0 DAADMO C[N@H+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)[C@H](CO)C1 ZINC001364777096 919066080 /nfs/dbraw/zinc/06/60/80/919066080.db2.gz HVHRITUDTMGDQB-ZDUSSCGKSA-N 1 1 313.398 -1.040 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364787717 919069130 /nfs/dbraw/zinc/06/91/30/919069130.db2.gz ZBZHQMKEASCDQT-GFCCVEGCSA-N 1 1 307.368 -1.464 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C1 ZINC001364787717 919069142 /nfs/dbraw/zinc/06/91/42/919069142.db2.gz ZBZHQMKEASCDQT-GFCCVEGCSA-N 1 1 307.368 -1.464 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001364802282 919071508 /nfs/dbraw/zinc/07/15/08/919071508.db2.gz GHRHBKIXLAYPCQ-KXUCPTDWSA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001364802282 919071524 /nfs/dbraw/zinc/07/15/24/919071524.db2.gz GHRHBKIXLAYPCQ-KXUCPTDWSA-N 1 1 322.365 -1.448 20 0 DAADMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCN(C)CC2)C1 ZINC001364818934 919073158 /nfs/dbraw/zinc/07/31/58/919073158.db2.gz DQKFVZDODDYVCW-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)N2CCN(C)CC2)C1 ZINC001364818934 919073177 /nfs/dbraw/zinc/07/31/77/919073177.db2.gz DQKFVZDODDYVCW-GFCCVEGCSA-N 1 1 306.432 -1.211 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001364830777 919076397 /nfs/dbraw/zinc/07/63/97/919076397.db2.gz PSOLIJYJLCJQJP-RYUDHWBXSA-N 1 1 322.427 -1.041 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001364837002 919079435 /nfs/dbraw/zinc/07/94/35/919079435.db2.gz UVEWXTBABIRVNW-CHWSQXEVSA-N 1 1 322.365 -1.003 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001364837021 919079548 /nfs/dbraw/zinc/07/95/48/919079548.db2.gz UVEWXTBABIRVNW-STQMWFEESA-N 1 1 322.365 -1.003 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001364837014 919080188 /nfs/dbraw/zinc/08/01/88/919080188.db2.gz UVEWXTBABIRVNW-QWHCGFSZSA-N 1 1 322.365 -1.003 20 0 DAADMO CN(C)S(=O)(=O)CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC001364835095 919080494 /nfs/dbraw/zinc/08/04/94/919080494.db2.gz FWIBJXVKFPDQDG-NSHDSACASA-N 1 1 303.388 -1.392 20 0 DAADMO COC(=O)Cn1cc(CC[N@H+]2C[C@H](CO)[C@H](CCO)C2)nn1 ZINC001364839576 919081389 /nfs/dbraw/zinc/08/13/89/919081389.db2.gz BBADYXXKQJHYRD-VXGBXAGGSA-N 1 1 312.370 -1.084 20 0 DAADMO CN(C)S(=O)(=O)CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC001364835027 919081431 /nfs/dbraw/zinc/08/14/31/919081431.db2.gz FWIBJXVKFPDQDG-LLVKDONJSA-N 1 1 303.388 -1.392 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001364939873 919102979 /nfs/dbraw/zinc/10/29/79/919102979.db2.gz LTSSJLJGOMTHRD-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001364939873 919102988 /nfs/dbraw/zinc/10/29/88/919102988.db2.gz LTSSJLJGOMTHRD-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+]C[C@]1(O)CCOC1 ZINC001364967499 919108177 /nfs/dbraw/zinc/10/81/77/919108177.db2.gz XYRDSJXGUSSLCQ-LLVKDONJSA-N 1 1 304.372 -1.221 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001365106316 919124686 /nfs/dbraw/zinc/12/46/86/919124686.db2.gz WHZLOBZBGVCLOO-UPJWGTAASA-N 1 1 300.403 -1.383 20 0 DAADMO C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC001365114738 919125161 /nfs/dbraw/zinc/12/51/61/919125161.db2.gz OPSNZMSBQXGZGQ-PSASIEDQSA-N 1 1 306.388 -1.612 20 0 DAADMO C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001365114738 919125174 /nfs/dbraw/zinc/12/51/74/919125174.db2.gz OPSNZMSBQXGZGQ-PSASIEDQSA-N 1 1 306.388 -1.612 20 0 DAADMO CC(C)(CNC(=O)NCC[N@H+]1CC[C@H](O)C1)NS(C)(=O)=O ZINC001365104105 919125399 /nfs/dbraw/zinc/12/53/99/919125399.db2.gz ODSTZSVTALEECR-JTQLQIEISA-N 1 1 322.431 -1.320 20 0 DAADMO C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001365114739 919125664 /nfs/dbraw/zinc/12/56/64/919125664.db2.gz OPSNZMSBQXGZGQ-SCZZXKLOSA-N 1 1 306.388 -1.612 20 0 DAADMO C[C@@H](NC(=O)N1CC(S(N)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001365114739 919125674 /nfs/dbraw/zinc/12/56/74/919125674.db2.gz OPSNZMSBQXGZGQ-SCZZXKLOSA-N 1 1 306.388 -1.612 20 0 DAADMO Cn1nc2c(cc1=O)CN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001365186474 919136927 /nfs/dbraw/zinc/13/69/27/919136927.db2.gz JKJVOXMTVDZQJI-UHFFFAOYSA-N 1 1 305.382 -1.088 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001365195327 919140384 /nfs/dbraw/zinc/14/03/84/919140384.db2.gz TXERVKGXMOYFQT-NEPJUHHUSA-N 1 1 318.443 -1.180 20 0 DAADMO CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001365195329 919142348 /nfs/dbraw/zinc/14/23/48/919142348.db2.gz TXERVKGXMOYFQT-RYUDHWBXSA-N 1 1 318.443 -1.180 20 0 DAADMO CON1CC[C@@H]([N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267920 919149857 /nfs/dbraw/zinc/14/98/57/919149857.db2.gz IXNKVTGWPZAZEB-VHSXEESVSA-N 1 1 306.388 -1.346 20 0 DAADMO CON1CC[C@@H]([N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC001365267920 919149865 /nfs/dbraw/zinc/14/98/65/919149865.db2.gz IXNKVTGWPZAZEB-VHSXEESVSA-N 1 1 306.388 -1.346 20 0 DAADMO O=C1NCCC[C@@H]1[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001365271994 919152191 /nfs/dbraw/zinc/15/21/91/919152191.db2.gz LWMPCELNWWEZBA-SDDRHHMPSA-N 1 1 317.411 -1.648 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001365305531 919155269 /nfs/dbraw/zinc/15/52/69/919155269.db2.gz VRNSXBXFYANHNU-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@H]([N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1(OC)CCC1 ZINC001365315486 919155955 /nfs/dbraw/zinc/15/59/55/919155955.db2.gz CBHPSKXECSZGCL-KXUCPTDWSA-N 1 1 313.354 -1.384 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H](CO)[C@H](O)C2)cn1 ZINC001365305977 919157200 /nfs/dbraw/zinc/15/72/00/919157200.db2.gz QJUUSWSTYNLWRT-MWLCHTKSSA-N 1 1 304.372 -2.017 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H](CO)[C@H](O)C2)cn1 ZINC001365305977 919157215 /nfs/dbraw/zinc/15/72/15/919157215.db2.gz QJUUSWSTYNLWRT-MWLCHTKSSA-N 1 1 304.372 -2.017 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001365311211 919157292 /nfs/dbraw/zinc/15/72/92/919157292.db2.gz NLNNDNODVZAIGF-WDEREUQCSA-N 1 1 315.370 -1.299 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(N)=O ZINC001365318485 919159377 /nfs/dbraw/zinc/15/93/77/919159377.db2.gz RKGMHAMYRQTADU-TXEJJXNPSA-N 1 1 322.340 -1.040 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001365336165 919162096 /nfs/dbraw/zinc/16/20/96/919162096.db2.gz ISTKPZQKKDUGFJ-TZMCWYRMSA-N 1 1 302.371 -1.321 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001365336165 919162105 /nfs/dbraw/zinc/16/21/05/919162105.db2.gz ISTKPZQKKDUGFJ-TZMCWYRMSA-N 1 1 302.371 -1.321 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001365338343 919163319 /nfs/dbraw/zinc/16/33/19/919163319.db2.gz JRXMWAQFLZLEIU-NXEZZACHSA-N 1 1 322.383 -1.180 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C[C@H]1CS(N)(=O)=O ZINC001365335456 919163832 /nfs/dbraw/zinc/16/38/32/919163832.db2.gz RETXEHXRHSQBTI-YVECIDJPSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C[C@H]1CS(N)(=O)=O ZINC001365335451 919163852 /nfs/dbraw/zinc/16/38/52/919163852.db2.gz RETXEHXRHSQBTI-MROQNXINSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)C(=O)N(C)C ZINC001365339095 919163889 /nfs/dbraw/zinc/16/38/89/919163889.db2.gz FMFYMTNWXGJZQB-TUAOUCFPSA-N 1 1 301.387 -1.498 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@@H](CO)[C@H](CCO)C1)C(=O)N(C)C ZINC001365339095 919163899 /nfs/dbraw/zinc/16/38/99/919163899.db2.gz FMFYMTNWXGJZQB-TUAOUCFPSA-N 1 1 301.387 -1.498 20 0 DAADMO CNC(=O)CN1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001365332264 919163928 /nfs/dbraw/zinc/16/39/28/919163928.db2.gz DJVSGRDEVJTFTK-ZDUSSCGKSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340944 919164275 /nfs/dbraw/zinc/16/42/75/919164275.db2.gz HZMHIMYUZLKYGD-CHWSQXEVSA-N 1 1 313.398 -1.352 20 0 DAADMO O=C(C[N@H+]1C[C@H](CO)[C@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340944 919164282 /nfs/dbraw/zinc/16/42/82/919164282.db2.gz HZMHIMYUZLKYGD-CHWSQXEVSA-N 1 1 313.398 -1.352 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001365333956 919164596 /nfs/dbraw/zinc/16/45/96/919164596.db2.gz WZCMUCALNDRMMO-SNVBAGLBSA-N 1 1 313.445 -1.251 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001365333956 919164606 /nfs/dbraw/zinc/16/46/06/919164606.db2.gz WZCMUCALNDRMMO-SNVBAGLBSA-N 1 1 313.445 -1.251 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NCc2nnc3n2CCNC3=O)CC[N@H+]1C ZINC001365437658 919184616 /nfs/dbraw/zinc/18/46/16/919184616.db2.gz YDSZJJXBMALNFV-RKDXNWHRSA-N 1 1 307.358 -1.087 20 0 DAADMO C[C@H]1[C@@H](NC(=O)NCc2nnc3n2CCNC3=O)CC[N@H+]1C ZINC001365437657 919185132 /nfs/dbraw/zinc/18/51/32/919185132.db2.gz YDSZJJXBMALNFV-IUCAKERBSA-N 1 1 307.358 -1.087 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCCNC2=O)C3)n1 ZINC001365525678 919196256 /nfs/dbraw/zinc/19/62/56/919196256.db2.gz DIACQWXGRYQNRS-SNVBAGLBSA-N 1 1 319.369 -1.363 20 0 DAADMO CN(C)C(=O)Cn1cnc(NC(=O)NCC[N@@H+](C)CCO)n1 ZINC001365485239 919196538 /nfs/dbraw/zinc/19/65/38/919196538.db2.gz JYBRDQDRSCRKNX-UHFFFAOYSA-N 1 1 313.362 -1.588 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 ZINC001365528249 919197163 /nfs/dbraw/zinc/19/71/63/919197163.db2.gz WIVVAZXDUXKEPY-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 ZINC001365528249 919197169 /nfs/dbraw/zinc/19/71/69/919197169.db2.gz WIVVAZXDUXKEPY-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC001365574113 919201032 /nfs/dbraw/zinc/20/10/32/919201032.db2.gz NKFOXUSZKLVNRQ-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC(=O)N1CCOCC1 ZINC001365574113 919201044 /nfs/dbraw/zinc/20/10/44/919201044.db2.gz NKFOXUSZKLVNRQ-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001365609711 919204357 /nfs/dbraw/zinc/20/43/57/919204357.db2.gz XHJWLEUXWXRUNZ-NXEZZACHSA-N 1 1 309.370 -1.582 20 0 DAADMO Cn1cnn(CCC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)c1=O ZINC001365598984 919204697 /nfs/dbraw/zinc/20/46/97/919204697.db2.gz HBDVNVJTBGCFKS-UHFFFAOYSA-N 1 1 322.369 -2.009 20 0 DAADMO Cn1cnn(CCC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)c1=O ZINC001365598984 919204715 /nfs/dbraw/zinc/20/47/15/919204715.db2.gz HBDVNVJTBGCFKS-UHFFFAOYSA-N 1 1 322.369 -2.009 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC001365650313 919210289 /nfs/dbraw/zinc/21/02/89/919210289.db2.gz ALLBHIZLSNUCOF-QWRGUYRKSA-N 1 1 320.415 -1.614 20 0 DAADMO Cn1ncc(CN2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001365688791 919218481 /nfs/dbraw/zinc/21/84/81/919218481.db2.gz AXDCXGLEJZQPNS-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1ncc(CN2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001365688791 919218495 /nfs/dbraw/zinc/21/84/95/919218495.db2.gz AXDCXGLEJZQPNS-ZDUSSCGKSA-N 1 1 308.386 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001365732995 919229967 /nfs/dbraw/zinc/22/99/67/919229967.db2.gz VAKMJFMNFFKHRT-VIFPVBQESA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)cn1 ZINC001365866845 919241988 /nfs/dbraw/zinc/24/19/88/919241988.db2.gz AQQZZRNUGBWYRM-GFCCVEGCSA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)cn1 ZINC001365866845 919242000 /nfs/dbraw/zinc/24/20/00/919242000.db2.gz AQQZZRNUGBWYRM-GFCCVEGCSA-N 1 1 309.370 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001365874703 919242899 /nfs/dbraw/zinc/24/28/99/919242899.db2.gz XEYNAJSGTCYVRV-HZSPNIEDSA-N 1 1 313.398 -1.090 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@@H]2CCCNC2=O)cc(=O)[nH]1 ZINC001365866007 919242938 /nfs/dbraw/zinc/24/29/38/919242938.db2.gz ZRXCJNZKNGCEQD-SNVBAGLBSA-N 1 1 323.353 -1.187 20 0 DAADMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCOC2)n1)C(N)=O ZINC001365861885 919243462 /nfs/dbraw/zinc/24/34/62/919243462.db2.gz MHFXSIKGECBRKR-DTWKUNHWSA-N 1 1 323.353 -1.202 20 0 DAADMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCOC2)n1)C(N)=O ZINC001365861891 919243923 /nfs/dbraw/zinc/24/39/23/919243923.db2.gz MHFXSIKGECBRKR-RKDXNWHRSA-N 1 1 323.353 -1.202 20 0 DAADMO COCC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001365882543 919245328 /nfs/dbraw/zinc/24/53/28/919245328.db2.gz YTDAOHDYOZYTSS-OLZOCXBDSA-N 1 1 313.398 -1.088 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001365932757 919246200 /nfs/dbraw/zinc/24/62/00/919246200.db2.gz CEZKDPGAQQZONQ-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001365895119 919246293 /nfs/dbraw/zinc/24/62/93/919246293.db2.gz CJTAEDHVESTIRH-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001365895119 919246304 /nfs/dbraw/zinc/24/63/04/919246304.db2.gz CJTAEDHVESTIRH-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365887571 919246709 /nfs/dbraw/zinc/24/67/09/919246709.db2.gz ZSHUCCKLARTDAS-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365887571 919246726 /nfs/dbraw/zinc/24/67/26/919246726.db2.gz ZSHUCCKLARTDAS-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001365889673 919247104 /nfs/dbraw/zinc/24/71/04/919247104.db2.gz IFMWIEQKGVRYJK-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001365889673 919247123 /nfs/dbraw/zinc/24/71/23/919247123.db2.gz IFMWIEQKGVRYJK-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO Cc1c(C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)nnn1C ZINC001365907352 919247955 /nfs/dbraw/zinc/24/79/55/919247955.db2.gz QDXZIZNWJFCFCL-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001365902242 919248707 /nfs/dbraw/zinc/24/87/07/919248707.db2.gz DEULNWQDJQNPFG-UHFFFAOYSA-N 1 1 309.370 -1.346 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365881357 919248991 /nfs/dbraw/zinc/24/89/91/919248991.db2.gz LLPXZGKFHWHYQS-MNOVXSKESA-N 1 1 314.386 -1.732 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365881357 919249005 /nfs/dbraw/zinc/24/90/05/919249005.db2.gz LLPXZGKFHWHYQS-MNOVXSKESA-N 1 1 314.386 -1.732 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)OC)C1 ZINC001365942723 919249700 /nfs/dbraw/zinc/24/97/00/919249700.db2.gz JLVIUGQXDQQJMM-WDEREUQCSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC001365942720 919249732 /nfs/dbraw/zinc/24/97/32/919249732.db2.gz JLVIUGQXDQQJMM-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001365948171 919249908 /nfs/dbraw/zinc/24/99/08/919249908.db2.gz KYALVPKJXBFMCZ-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001365948171 919249923 /nfs/dbraw/zinc/24/99/23/919249923.db2.gz KYALVPKJXBFMCZ-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001365958704 919254551 /nfs/dbraw/zinc/25/45/51/919254551.db2.gz WSZVEBKUUWZMHD-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001365968812 919257401 /nfs/dbraw/zinc/25/74/01/919257401.db2.gz BFZKPSOJJIYRIY-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975707 919257588 /nfs/dbraw/zinc/25/75/88/919257588.db2.gz JHGPPXKKOMHABJ-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975707 919257608 /nfs/dbraw/zinc/25/76/08/919257608.db2.gz JHGPPXKKOMHABJ-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979002 919257656 /nfs/dbraw/zinc/25/76/56/919257656.db2.gz OZWDVZCKKHBDMR-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001365979002 919257674 /nfs/dbraw/zinc/25/76/74/919257674.db2.gz OZWDVZCKKHBDMR-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001365968487 919258763 /nfs/dbraw/zinc/25/87/63/919258763.db2.gz IKHLCFSFHOMIDZ-NSHDSACASA-N 1 1 324.389 -1.429 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001365968487 919258776 /nfs/dbraw/zinc/25/87/76/919258776.db2.gz IKHLCFSFHOMIDZ-NSHDSACASA-N 1 1 324.389 -1.429 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365976490 919260472 /nfs/dbraw/zinc/26/04/72/919260472.db2.gz GKAWHLXMSCQQJE-SNVBAGLBSA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)n1 ZINC001365976490 919260491 /nfs/dbraw/zinc/26/04/91/919260491.db2.gz GKAWHLXMSCQQJE-SNVBAGLBSA-N 1 1 307.358 -1.460 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001365969351 919260572 /nfs/dbraw/zinc/26/05/72/919260572.db2.gz HRGSOESFOJAJPV-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365989213 919262467 /nfs/dbraw/zinc/26/24/67/919262467.db2.gz YUJHBEWUOZWGMG-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1)NC(N)=O ZINC001365989213 919262478 /nfs/dbraw/zinc/26/24/78/919262478.db2.gz YUJHBEWUOZWGMG-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001365988742 919262661 /nfs/dbraw/zinc/26/26/61/919262661.db2.gz SYTXGDLKGWSNSH-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001365988742 919262675 /nfs/dbraw/zinc/26/26/75/919262675.db2.gz SYTXGDLKGWSNSH-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001365997191 919263531 /nfs/dbraw/zinc/26/35/31/919263531.db2.gz SURFLUWYJKVWKR-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001365997191 919263547 /nfs/dbraw/zinc/26/35/47/919263547.db2.gz SURFLUWYJKVWKR-NSHDSACASA-N 1 1 307.358 -1.468 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001365994007 919264295 /nfs/dbraw/zinc/26/42/95/919264295.db2.gz JIGIPYSACPSHHX-VHSXEESVSA-N 1 1 310.354 -1.075 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365982973 919265134 /nfs/dbraw/zinc/26/51/34/919265134.db2.gz LDBKAAPEUDUJMB-NXEZZACHSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001365982973 919265146 /nfs/dbraw/zinc/26/51/46/919265146.db2.gz LDBKAAPEUDUJMB-NXEZZACHSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986574 919265402 /nfs/dbraw/zinc/26/54/02/919265402.db2.gz OFTAASQAINDILR-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001365986574 919265416 /nfs/dbraw/zinc/26/54/16/919265416.db2.gz OFTAASQAINDILR-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001365994000 919266460 /nfs/dbraw/zinc/26/64/60/919266460.db2.gz JIGIPYSACPSHHX-UWVGGRQHSA-N 1 1 310.354 -1.075 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001365993845 919266576 /nfs/dbraw/zinc/26/65/76/919266576.db2.gz VZUAAOURHUQXIR-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001365993845 919266590 /nfs/dbraw/zinc/26/65/90/919266590.db2.gz VZUAAOURHUQXIR-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000794 919266995 /nfs/dbraw/zinc/26/69/95/919266995.db2.gz IFXFNDSIJFWZGA-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000794 919267005 /nfs/dbraw/zinc/26/70/05/919267005.db2.gz IFXFNDSIJFWZGA-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000799 919268201 /nfs/dbraw/zinc/26/82/01/919268201.db2.gz IFXFNDSIJFWZGA-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366000799 919268213 /nfs/dbraw/zinc/26/82/13/919268213.db2.gz IFXFNDSIJFWZGA-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025808 919268691 /nfs/dbraw/zinc/26/86/91/919268691.db2.gz HHCYJMXNHXAHAS-MNOVXSKESA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 ZINC001366028050 919270427 /nfs/dbraw/zinc/27/04/27/919270427.db2.gz CDXSPQJYRBVVID-MNOVXSKESA-N 1 1 308.342 -1.092 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025802 919271093 /nfs/dbraw/zinc/27/10/93/919271093.db2.gz HHCYJMXNHXAHAS-GHMZBOCLSA-N 1 1 311.386 -1.240 20 0 DAADMO Cc1nnc(C[NH2+][C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001366049641 919272408 /nfs/dbraw/zinc/27/24/08/919272408.db2.gz ODJNNKZZLIYVME-ZJUUUORDSA-N 1 1 307.358 -1.221 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001366033997 919272922 /nfs/dbraw/zinc/27/29/22/919272922.db2.gz YQKYXIJEAKSOBZ-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001366033971 919274780 /nfs/dbraw/zinc/27/47/80/919274780.db2.gz IQFKPEJBPSIJDG-GHMZBOCLSA-N 1 1 321.385 -1.279 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001366086962 919276227 /nfs/dbraw/zinc/27/62/27/919276227.db2.gz VPPXLIGCNDDJOP-XQQFMLRXSA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001366069645 919276505 /nfs/dbraw/zinc/27/65/05/919276505.db2.gz MPIJNPYMSRMYDA-NSHDSACASA-N 1 1 324.385 -1.460 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001366077762 919277255 /nfs/dbraw/zinc/27/72/55/919277255.db2.gz QOWOFNIIQRUGJE-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNS(C)(=O)=O ZINC001366086206 919278111 /nfs/dbraw/zinc/27/81/11/919278111.db2.gz LABQGYYGSOQNKN-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001366106080 919282711 /nfs/dbraw/zinc/28/27/11/919282711.db2.gz IKXYVGAJQFDDIP-MGCOHNPYSA-N 1 1 307.358 -1.119 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CS(C)(=O)=O)C2)nn1 ZINC001366112202 919283082 /nfs/dbraw/zinc/28/30/82/919283082.db2.gz XIBJAJLKACHHTM-KYZUINATSA-N 1 1 301.372 -1.404 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001366114522 919283502 /nfs/dbraw/zinc/28/35/02/919283502.db2.gz YUNYEDOZDAXRBB-DCAQKATOSA-N 1 1 310.358 -1.248 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)S(C)(=O)=O ZINC001366116947 919284484 /nfs/dbraw/zinc/28/44/84/919284484.db2.gz JGUXCBJRIKDERN-CIUDSAMLSA-N 1 1 316.387 -1.620 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CO[C@@H]2CCOC2)C1 ZINC001366114528 919285126 /nfs/dbraw/zinc/28/51/26/919285126.db2.gz YUNYEDOZDAXRBB-GMTAPVOTSA-N 1 1 310.358 -1.248 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001366147156 919286084 /nfs/dbraw/zinc/28/60/84/919286084.db2.gz IIRUDIFPEGFWFD-BBBLOLIVSA-N 1 1 324.389 -1.173 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366144567 919286259 /nfs/dbraw/zinc/28/62/59/919286259.db2.gz ZHEFVWICAZJXID-ZNSHCXBVSA-N 1 1 311.386 -1.099 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1ncn[nH]1 ZINC001366128539 919287547 /nfs/dbraw/zinc/28/75/47/919287547.db2.gz LBYQMRKQVJQOLI-DCAQKATOSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)c1nc[nH]n1 ZINC001366128539 919287565 /nfs/dbraw/zinc/28/75/65/919287565.db2.gz LBYQMRKQVJQOLI-DCAQKATOSA-N 1 1 322.369 -1.362 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001366170611 919290069 /nfs/dbraw/zinc/29/00/69/919290069.db2.gz IKUWAKRCRNXDRX-GFCCVEGCSA-N 1 1 319.373 -1.207 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001366170633 919290217 /nfs/dbraw/zinc/29/02/17/919290217.db2.gz IKUWAKRCRNXDRX-LBPRGKRZSA-N 1 1 319.373 -1.207 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001366197434 919292477 /nfs/dbraw/zinc/29/24/77/919292477.db2.gz HVPWSASBAHTSGG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001366197434 919292494 /nfs/dbraw/zinc/29/24/94/919292494.db2.gz HVPWSASBAHTSGG-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001366197817 919293745 /nfs/dbraw/zinc/29/37/45/919293745.db2.gz DAOUHYIADALPAL-SECBINFHSA-N 1 1 321.403 -2.504 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001366197817 919293757 /nfs/dbraw/zinc/29/37/57/919293757.db2.gz DAOUHYIADALPAL-SECBINFHSA-N 1 1 321.403 -2.504 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001366202303 919294462 /nfs/dbraw/zinc/29/44/62/919294462.db2.gz ODZSDZUGOYCIHU-LBPRGKRZSA-N 1 1 314.386 -1.798 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001366178625 919294644 /nfs/dbraw/zinc/29/46/44/919294644.db2.gz RMQILXQFCTXEFX-LLVKDONJSA-N 1 1 310.354 -1.231 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1COC(=O)C1 ZINC001366231315 919297075 /nfs/dbraw/zinc/29/70/75/919297075.db2.gz DSDJASJLXUMQTA-CYRTVHNOSA-N 1 1 312.366 -1.007 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001366226127 919299011 /nfs/dbraw/zinc/29/90/11/919299011.db2.gz LKNOXJIRVYUFBP-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001366271515 919300609 /nfs/dbraw/zinc/30/06/09/919300609.db2.gz BSUZUXFNIBSLIA-SECBINFHSA-N 1 1 307.362 -1.113 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H](C)CNC(=O)Cn2ncnn2)n1 ZINC001366271518 919303425 /nfs/dbraw/zinc/30/34/25/919303425.db2.gz BSUZUXFNIBSLIA-VIFPVBQESA-N 1 1 307.362 -1.113 20 0 DAADMO C[C@@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1nnnn1C ZINC001366271000 919303825 /nfs/dbraw/zinc/30/38/25/919303825.db2.gz AIDZLHCWEUTPRN-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001366288439 919306715 /nfs/dbraw/zinc/30/67/15/919306715.db2.gz LGWSXVNQXPTHEM-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nccs1 ZINC001366307995 919309287 /nfs/dbraw/zinc/30/92/87/919309287.db2.gz PWKGIHNEIYYYEM-QMMMGPOBSA-N 1 1 321.428 -1.209 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001366304296 919309416 /nfs/dbraw/zinc/30/94/16/919309416.db2.gz HFJRPRAEAZXKFU-QMMMGPOBSA-N 1 1 309.330 -1.432 20 0 DAADMO Cc1ccnc(C[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001366312567 919310633 /nfs/dbraw/zinc/31/06/33/919310633.db2.gz SDCCRFKISYKRMY-GFCCVEGCSA-N 1 1 320.397 -1.189 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366332436 919312510 /nfs/dbraw/zinc/31/25/10/919312510.db2.gz JSUFABFETHAIRB-NXEZZACHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366332436 919312526 /nfs/dbraw/zinc/31/25/26/919312526.db2.gz JSUFABFETHAIRB-NXEZZACHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366349978 919313610 /nfs/dbraw/zinc/31/36/10/919313610.db2.gz XLVIMIXYDJPELE-GHMZBOCLSA-N 1 1 324.385 -1.263 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001366327381 919313637 /nfs/dbraw/zinc/31/36/37/919313637.db2.gz OSOOXYBAXWZVJG-UWVGGRQHSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366349983 919313664 /nfs/dbraw/zinc/31/36/64/919313664.db2.gz XLVIMIXYDJPELE-MNOVXSKESA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366351623 919315860 /nfs/dbraw/zinc/31/58/60/919315860.db2.gz JSEUPGNBTPJUMI-UWVGGRQHSA-N 1 1 322.369 -1.319 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnnn1C ZINC001366368797 919316430 /nfs/dbraw/zinc/31/64/30/919316430.db2.gz RUHAEUGUEAJCJD-MRVPVSSYSA-N 1 1 308.346 -1.845 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001366350959 919317503 /nfs/dbraw/zinc/31/75/03/919317503.db2.gz RTYSPVLYNQQFPE-YUMQZZPRSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001366372040 919319504 /nfs/dbraw/zinc/31/95/04/919319504.db2.gz BSYALAPIGYFGDS-GXSJLCMTSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001366372087 919322155 /nfs/dbraw/zinc/32/21/55/919322155.db2.gz BSYALAPIGYFGDS-MWLCHTKSSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001366386291 919323883 /nfs/dbraw/zinc/32/38/83/919323883.db2.gz YLLXDJBURNMUNK-VIFPVBQESA-N 1 1 322.373 -1.373 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001366450110 919329470 /nfs/dbraw/zinc/32/94/70/919329470.db2.gz RADIXFDZAZNRSZ-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366503252 919331937 /nfs/dbraw/zinc/33/19/37/919331937.db2.gz GTORGVWRGUKZIV-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001366503252 919331949 /nfs/dbraw/zinc/33/19/49/919331949.db2.gz GTORGVWRGUKZIV-QMMMGPOBSA-N 1 1 312.334 -2.435 20 0 DAADMO C[C@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]CCN1CCNC1=O ZINC001366500667 919332810 /nfs/dbraw/zinc/33/28/10/919332810.db2.gz UAONVNXFVBLAHP-SNVBAGLBSA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@@H](CCNC(=O)Cc1nnc[nH]1)[NH2+]CCN1CCNC1=O ZINC001366500663 919333036 /nfs/dbraw/zinc/33/30/36/919333036.db2.gz UAONVNXFVBLAHP-JTQLQIEISA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366520935 919336260 /nfs/dbraw/zinc/33/62/60/919336260.db2.gz JEXBUNBHEPVRGT-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366520935 919336279 /nfs/dbraw/zinc/33/62/79/919336279.db2.gz JEXBUNBHEPVRGT-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001366528151 919336634 /nfs/dbraw/zinc/33/66/34/919336634.db2.gz GERLLAJRKMFJEF-MRVPVSSYSA-N 1 1 313.358 -1.904 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001366528151 919336651 /nfs/dbraw/zinc/33/66/51/919336651.db2.gz GERLLAJRKMFJEF-MRVPVSSYSA-N 1 1 313.358 -1.904 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)c2ncc[nH]2)n(C)c1=O ZINC001366530178 919336908 /nfs/dbraw/zinc/33/69/08/919336908.db2.gz OJSZAHCMBAOYCE-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)c2ncc[nH]2)n(C)c1=O ZINC001366530178 919336927 /nfs/dbraw/zinc/33/69/27/919336927.db2.gz OJSZAHCMBAOYCE-UHFFFAOYSA-N 1 1 320.353 -1.331 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CC1(O)CCC1 ZINC001366526609 919337773 /nfs/dbraw/zinc/33/77/73/919337773.db2.gz BOPKQNDUAURPCM-UHFFFAOYSA-N 1 1 300.359 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CC1(O)CCC1 ZINC001366526609 919337786 /nfs/dbraw/zinc/33/77/86/919337786.db2.gz BOPKQNDUAURPCM-UHFFFAOYSA-N 1 1 300.359 -1.205 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)S(C)(=O)=O ZINC001366518384 919338283 /nfs/dbraw/zinc/33/82/83/919338283.db2.gz JGOLRDGHQVHNRT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1)S(C)(=O)=O ZINC001366518384 919338295 /nfs/dbraw/zinc/33/82/95/919338295.db2.gz JGOLRDGHQVHNRT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001366534457 919339540 /nfs/dbraw/zinc/33/95/40/919339540.db2.gz BTMHESWWZPABFB-JTQLQIEISA-N 1 1 322.431 -1.356 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC001366534457 919339555 /nfs/dbraw/zinc/33/95/55/919339555.db2.gz BTMHESWWZPABFB-JTQLQIEISA-N 1 1 322.431 -1.356 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001366539943 919340876 /nfs/dbraw/zinc/34/08/76/919340876.db2.gz QFPUHHXMSUHZAI-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC[C@H]1CCOC1 ZINC001366558470 919343370 /nfs/dbraw/zinc/34/33/70/919343370.db2.gz JYONRSUGUCVVAP-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001366557801 919343414 /nfs/dbraw/zinc/34/34/14/919343414.db2.gz WVDHADVYJBMTNO-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001366557801 919343432 /nfs/dbraw/zinc/34/34/32/919343432.db2.gz WVDHADVYJBMTNO-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CO[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@H]1CCOC1 ZINC001366554903 919344075 /nfs/dbraw/zinc/34/40/75/919344075.db2.gz QBOHBWAAKOXVQY-ONGXEEELSA-N 1 1 316.358 -1.719 20 0 DAADMO CO[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@H]1CCOC1 ZINC001366554903 919344087 /nfs/dbraw/zinc/34/40/87/919344087.db2.gz QBOHBWAAKOXVQY-ONGXEEELSA-N 1 1 316.358 -1.719 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001366548002 919344171 /nfs/dbraw/zinc/34/41/71/919344171.db2.gz QDMNXWHXZJCRIM-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccnc1 ZINC001366542656 919344994 /nfs/dbraw/zinc/34/49/94/919344994.db2.gz JHXJCVKAERCYLN-UHFFFAOYSA-N 1 1 321.381 -1.118 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)Cc1cccnc1 ZINC001366542656 919345007 /nfs/dbraw/zinc/34/50/07/919345007.db2.gz JHXJCVKAERCYLN-UHFFFAOYSA-N 1 1 321.381 -1.118 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001366573379 919348261 /nfs/dbraw/zinc/34/82/61/919348261.db2.gz GJXVIDKBQOUFFQ-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001366573379 919348275 /nfs/dbraw/zinc/34/82/75/919348275.db2.gz GJXVIDKBQOUFFQ-QMMMGPOBSA-N 1 1 308.404 -1.764 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001366560667 919348718 /nfs/dbraw/zinc/34/87/18/919348718.db2.gz OTUIPYUISDERAW-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001366560667 919348735 /nfs/dbraw/zinc/34/87/35/919348735.db2.gz OTUIPYUISDERAW-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)CCn2cncn2)c(=O)n1C ZINC001366588609 919350954 /nfs/dbraw/zinc/35/09/54/919350954.db2.gz UINIGADECWNCAM-UHFFFAOYSA-N 1 1 322.373 -1.770 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001366583383 919352442 /nfs/dbraw/zinc/35/24/42/919352442.db2.gz HVRWSDYCNUXBHF-LLVKDONJSA-N 1 1 310.402 -1.002 20 0 DAADMO CN(C)C(=O)CCCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001366584213 919352797 /nfs/dbraw/zinc/35/27/97/919352797.db2.gz PXIFRXLOKDIWBU-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CN(C)C(=O)CCCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001366584213 919352802 /nfs/dbraw/zinc/35/28/02/919352802.db2.gz PXIFRXLOKDIWBU-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)CCS(C)(=O)=O)C1 ZINC001366591225 919355160 /nfs/dbraw/zinc/35/51/60/919355160.db2.gz LCKHCCJEWNYZKQ-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)CCS(C)(=O)=O)C1 ZINC001366591225 919355171 /nfs/dbraw/zinc/35/51/71/919355171.db2.gz LCKHCCJEWNYZKQ-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001366611426 919356403 /nfs/dbraw/zinc/35/64/03/919356403.db2.gz JZZFQTZMPAHTHA-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001366611426 919356416 /nfs/dbraw/zinc/35/64/16/919356416.db2.gz JZZFQTZMPAHTHA-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)N(C)C ZINC001366634192 919356571 /nfs/dbraw/zinc/35/65/71/919356571.db2.gz JFUDNGDDJPTLSD-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)N(C)C ZINC001366634192 919356586 /nfs/dbraw/zinc/35/65/86/919356586.db2.gz JFUDNGDDJPTLSD-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)NC)CC(=O)NC(C)C ZINC001366612092 919357044 /nfs/dbraw/zinc/35/70/44/919357044.db2.gz KEVOBXZZRAFNTE-UHFFFAOYSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)NC)CC(=O)NC(C)C ZINC001366612092 919357057 /nfs/dbraw/zinc/35/70/57/919357057.db2.gz KEVOBXZZRAFNTE-UHFFFAOYSA-N 1 1 301.391 -1.122 20 0 DAADMO CCCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001366627082 919358065 /nfs/dbraw/zinc/35/80/65/919358065.db2.gz QKCIRRUSBBGRQC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001366627082 919358084 /nfs/dbraw/zinc/35/80/84/919358084.db2.gz QKCIRRUSBBGRQC-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654583 919360482 /nfs/dbraw/zinc/36/04/82/919360482.db2.gz KIAZGSWIEJYPEM-ZJUUUORDSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O)n1cncn1 ZINC001366654583 919360498 /nfs/dbraw/zinc/36/04/98/919360498.db2.gz KIAZGSWIEJYPEM-ZJUUUORDSA-N 1 1 323.357 -1.385 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001366655936 919361753 /nfs/dbraw/zinc/36/17/53/919361753.db2.gz DUSGBVYVOQPELN-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001366655936 919361769 /nfs/dbraw/zinc/36/17/69/919361769.db2.gz DUSGBVYVOQPELN-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001366666702 919362153 /nfs/dbraw/zinc/36/21/53/919362153.db2.gz CCTUONYWNLWPFJ-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001366666702 919362168 /nfs/dbraw/zinc/36/21/68/919362168.db2.gz CCTUONYWNLWPFJ-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001366657599 919362555 /nfs/dbraw/zinc/36/25/55/919362555.db2.gz RVPWBPFOKKYMAM-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001366651573 919363155 /nfs/dbraw/zinc/36/31/55/919363155.db2.gz BOBSZRANFSZDCS-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001366651573 919363172 /nfs/dbraw/zinc/36/31/72/919363172.db2.gz BOBSZRANFSZDCS-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001366663038 919364045 /nfs/dbraw/zinc/36/40/45/919364045.db2.gz PWTKWDWDYAIHAJ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C[C@@H](O)COC ZINC001366642965 919364777 /nfs/dbraw/zinc/36/47/77/919364777.db2.gz LQVUYLKMOLWXPD-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001366683515 919365227 /nfs/dbraw/zinc/36/52/27/919365227.db2.gz VVUVRQDOLNYMMA-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001366695672 919365753 /nfs/dbraw/zinc/36/57/53/919365753.db2.gz HQWUSXRMWICOFJ-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001366683503 919366464 /nfs/dbraw/zinc/36/64/64/919366464.db2.gz VVUVRQDOLNYMMA-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001366683509 919367427 /nfs/dbraw/zinc/36/74/27/919367427.db2.gz VVUVRQDOLNYMMA-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366691764 919367658 /nfs/dbraw/zinc/36/76/58/919367658.db2.gz LYLWAUIADIOIOG-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001366688593 919368458 /nfs/dbraw/zinc/36/84/58/919368458.db2.gz KLXLUCHZNIQBHX-QWRGUYRKSA-N 1 1 307.416 -1.255 20 0 DAADMO O=C(CCn1cncn1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366685515 919368583 /nfs/dbraw/zinc/36/85/83/919368583.db2.gz RFAAVRFXCBAACD-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001366688588 919368736 /nfs/dbraw/zinc/36/87/36/919368736.db2.gz KLXLUCHZNIQBHX-MNOVXSKESA-N 1 1 307.416 -1.255 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001366696477 919368933 /nfs/dbraw/zinc/36/89/33/919368933.db2.gz MDKCHKMDQPSFHM-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001366683929 919369694 /nfs/dbraw/zinc/36/96/94/919369694.db2.gz XFIJCQDGKUJCGI-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366709195 919370541 /nfs/dbraw/zinc/37/05/41/919370541.db2.gz LXNHONMOGAIXTD-LLVKDONJSA-N 1 1 321.385 -1.190 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366709195 919370553 /nfs/dbraw/zinc/37/05/53/919370553.db2.gz LXNHONMOGAIXTD-LLVKDONJSA-N 1 1 321.385 -1.190 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001366709195 919370569 /nfs/dbraw/zinc/37/05/69/919370569.db2.gz LXNHONMOGAIXTD-LLVKDONJSA-N 1 1 321.385 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001366703836 919370605 /nfs/dbraw/zinc/37/06/05/919370605.db2.gz HJKGINQHTYOPJS-IUCAKERBSA-N 1 1 311.342 -2.102 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3cncn3)C2)C1=O ZINC001366718459 919370683 /nfs/dbraw/zinc/37/06/83/919370683.db2.gz YTAGBATVUXFFRZ-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cncn3)C2)C1=O ZINC001366718461 919371848 /nfs/dbraw/zinc/37/18/48/919371848.db2.gz YTAGBATVUXFFRZ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001366754130 919371961 /nfs/dbraw/zinc/37/19/61/919371961.db2.gz HIVPGJWKTGXBMH-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001366754130 919371973 /nfs/dbraw/zinc/37/19/73/919371973.db2.gz HIVPGJWKTGXBMH-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001366716156 919372703 /nfs/dbraw/zinc/37/27/03/919372703.db2.gz SLCQFVHZSHVZOS-RYUDHWBXSA-N 1 1 324.381 -1.161 20 0 DAADMO Cn1nnc(C(=O)NCC[N@H+](CC(=O)NC2CC2)C2CC2)n1 ZINC001366744105 919373676 /nfs/dbraw/zinc/37/36/76/919373676.db2.gz IFZHBQQHNKZIRL-UHFFFAOYSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NCC[N@@H+](CC(=O)NC2CC2)C2CC2)n1 ZINC001366744105 919373690 /nfs/dbraw/zinc/37/36/90/919373690.db2.gz IFZHBQQHNKZIRL-UHFFFAOYSA-N 1 1 307.358 -1.317 20 0 DAADMO CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001366748414 919374090 /nfs/dbraw/zinc/37/40/90/919374090.db2.gz PTHWPMWZEUOJRH-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001366748414 919374108 /nfs/dbraw/zinc/37/41/08/919374108.db2.gz PTHWPMWZEUOJRH-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3cncn3)C2)C1=O ZINC001366718465 919374777 /nfs/dbraw/zinc/37/47/77/919374777.db2.gz YTAGBATVUXFFRZ-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001366753190 919374952 /nfs/dbraw/zinc/37/49/52/919374952.db2.gz ZXUMMCWGKLYNAC-WDEREUQCSA-N 1 1 300.359 -1.744 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001366698588 919375272 /nfs/dbraw/zinc/37/52/72/919375272.db2.gz PFSVROVRKIMZTA-NEPJUHHUSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCC(=O)N1)c1nnnn1C ZINC001366772049 919376786 /nfs/dbraw/zinc/37/67/86/919376786.db2.gz ZLCSZYHGXZDJLL-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1)c1nncn1C ZINC001366776373 919380094 /nfs/dbraw/zinc/38/00/94/919380094.db2.gz LLOFRFCVTFURNE-NXEZZACHSA-N 1 1 309.374 -1.052 20 0 DAADMO CCCN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001366809754 919381799 /nfs/dbraw/zinc/38/17/99/919381799.db2.gz WLLNCTQPGCLBEG-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366825392 919382341 /nfs/dbraw/zinc/38/23/41/919382341.db2.gz PKKQRAQPVMROMQ-RYUDHWBXSA-N 1 1 312.374 -1.491 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001366831750 919384756 /nfs/dbraw/zinc/38/47/56/919384756.db2.gz CNINRLRMHCTQDF-WDEREUQCSA-N 1 1 312.374 -1.341 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001366831730 919384936 /nfs/dbraw/zinc/38/49/36/919384936.db2.gz CNINRLRMHCTQDF-GHMZBOCLSA-N 1 1 312.374 -1.341 20 0 DAADMO Cn1ncc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001366850708 919385427 /nfs/dbraw/zinc/38/54/27/919385427.db2.gz SLJGSSHMTAITAT-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cn3cnnn3)C2)C1=O ZINC001366830321 919387152 /nfs/dbraw/zinc/38/71/52/919387152.db2.gz ZZIPRQYNXVRMEJ-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001366863619 919388145 /nfs/dbraw/zinc/38/81/45/919388145.db2.gz BRBIJSOQHOHUIX-NSHDSACASA-N 1 1 311.386 -1.333 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001366866129 919388802 /nfs/dbraw/zinc/38/88/02/919388802.db2.gz NLBQGYCHHSLDOR-SNVBAGLBSA-N 1 1 307.354 -1.090 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001366878468 919389057 /nfs/dbraw/zinc/38/90/57/919389057.db2.gz MPLYESSUVCORIA-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO Cn1cc(C(=O)N2CCC(C[N@@H+](C)CC(N)=O)CC2)n(C)c1=O ZINC001366886524 919389184 /nfs/dbraw/zinc/38/91/84/919389184.db2.gz NVLPGAPXBCEEBW-UHFFFAOYSA-N 1 1 323.397 -1.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366901956 919390072 /nfs/dbraw/zinc/39/00/72/919390072.db2.gz JHIYNMYHIBMKQV-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001366901956 919390088 /nfs/dbraw/zinc/39/00/88/919390088.db2.gz JHIYNMYHIBMKQV-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366865505 919391030 /nfs/dbraw/zinc/39/10/30/919391030.db2.gz BAHRTWYOYOQULS-GHMZBOCLSA-N 1 1 324.385 -1.462 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001366896542 919391151 /nfs/dbraw/zinc/39/11/51/919391151.db2.gz GLOJVSXFWPFROK-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001366891570 919391570 /nfs/dbraw/zinc/39/15/70/919391570.db2.gz VGPXJXLKIZWYIV-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001366870318 919391782 /nfs/dbraw/zinc/39/17/82/919391782.db2.gz LVYICQHUCSUPMB-WDEREUQCSA-N 1 1 323.397 -1.009 20 0 DAADMO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001366879218 919392546 /nfs/dbraw/zinc/39/25/46/919392546.db2.gz MAIMMQXZQGOEPQ-JTQLQIEISA-N 1 1 320.415 -1.857 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001366907058 919395074 /nfs/dbraw/zinc/39/50/74/919395074.db2.gz GLOJVSXFWPFROK-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001366926968 919399938 /nfs/dbraw/zinc/39/99/38/919399938.db2.gz OKUGMNCTCLGXKC-SECBINFHSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001366939618 919402553 /nfs/dbraw/zinc/40/25/53/919402553.db2.gz ITKBNEOLLBLNSZ-LLVKDONJSA-N 1 1 323.401 -1.206 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001366946491 919406243 /nfs/dbraw/zinc/40/62/43/919406243.db2.gz AMQHZXBEYHJNKB-SNVBAGLBSA-N 1 1 305.400 -1.237 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001366954164 919406534 /nfs/dbraw/zinc/40/65/34/919406534.db2.gz LPNPPISJSHKULB-SNVBAGLBSA-N 1 1 305.400 -1.285 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366962178 919411384 /nfs/dbraw/zinc/41/13/84/919411384.db2.gz KBJOWNYTIDTINM-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCNS(C)(=O)=O ZINC001367001252 919418350 /nfs/dbraw/zinc/41/83/50/919418350.db2.gz VTNDNXRVVZRDGM-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)COC ZINC001366998993 919419213 /nfs/dbraw/zinc/41/92/13/919419213.db2.gz NSHKFVSONBHOQC-GARJFASQSA-N 1 1 300.359 -1.792 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001366987653 919419645 /nfs/dbraw/zinc/41/96/45/919419645.db2.gz FZKVZGJTIQATSY-VIFPVBQESA-N 1 1 306.388 -2.153 20 0 DAADMO O=C(Cn1cncn1)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001366991825 919419792 /nfs/dbraw/zinc/41/97/92/919419792.db2.gz WIEPZPFCYDOVGT-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001367006892 919421624 /nfs/dbraw/zinc/42/16/24/919421624.db2.gz NKMGBUWRMUEFEF-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001367006892 919421638 /nfs/dbraw/zinc/42/16/38/919421638.db2.gz NKMGBUWRMUEFEF-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001367004751 919422121 /nfs/dbraw/zinc/42/21/21/919422121.db2.gz YOUAZBVIZACPNT-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367011533 919423052 /nfs/dbraw/zinc/42/30/52/919423052.db2.gz BFZKPSOJJIYRIY-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO O=C(CCn1ccnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001367004891 919423106 /nfs/dbraw/zinc/42/31/06/919423106.db2.gz MPEZTCJWFACWIZ-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001367027680 919426497 /nfs/dbraw/zinc/42/64/97/919426497.db2.gz ZOVCUWJFLIWTML-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)NC(N)=O ZINC001367027680 919426510 /nfs/dbraw/zinc/42/65/10/919426510.db2.gz ZOVCUWJFLIWTML-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367018680 919427334 /nfs/dbraw/zinc/42/73/34/919427334.db2.gz MXLSWBAAELAFLG-QWRGUYRKSA-N 1 1 322.369 -1.589 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367018680 919427346 /nfs/dbraw/zinc/42/73/46/919427346.db2.gz MXLSWBAAELAFLG-QWRGUYRKSA-N 1 1 322.369 -1.589 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001367026484 919427665 /nfs/dbraw/zinc/42/76/65/919427665.db2.gz NCWHZQGXLCFDDR-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001367032757 919428745 /nfs/dbraw/zinc/42/87/45/919428745.db2.gz MXJZRBGXOJXWDP-MNOVXSKESA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001367032757 919428763 /nfs/dbraw/zinc/42/87/63/919428763.db2.gz MXJZRBGXOJXWDP-MNOVXSKESA-N 1 1 309.370 -1.616 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001367046675 919431018 /nfs/dbraw/zinc/43/10/18/919431018.db2.gz AGFBOTWPKKJOHN-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001367046675 919431028 /nfs/dbraw/zinc/43/10/28/919431028.db2.gz AGFBOTWPKKJOHN-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001367032544 919431466 /nfs/dbraw/zinc/43/14/66/919431466.db2.gz KGQBHTPQMOAYTR-WISYIIOYSA-N 1 1 315.370 -1.783 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367031137 919431524 /nfs/dbraw/zinc/43/15/24/919431524.db2.gz UMCSVKSJQLIRFK-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367031137 919431534 /nfs/dbraw/zinc/43/15/34/919431534.db2.gz UMCSVKSJQLIRFK-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001367043512 919432227 /nfs/dbraw/zinc/43/22/27/919432227.db2.gz RPFAZVAPOZMYDZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001367043512 919432241 /nfs/dbraw/zinc/43/22/41/919432241.db2.gz RPFAZVAPOZMYDZ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001367044190 919432394 /nfs/dbraw/zinc/43/23/94/919432394.db2.gz AIGUQDQAQNNADC-NWDGAFQWSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C2CS(=O)(=O)C2)C1 ZINC001367044190 919432403 /nfs/dbraw/zinc/43/24/03/919432403.db2.gz AIGUQDQAQNNADC-NWDGAFQWSA-N 1 1 320.411 -1.429 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001367063851 919433885 /nfs/dbraw/zinc/43/38/85/919433885.db2.gz RHAWBBBEQWSWBO-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064178 919433932 /nfs/dbraw/zinc/43/39/32/919433932.db2.gz IFKGJGDGSFZMIO-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cnnn2)C1 ZINC001367064178 919433936 /nfs/dbraw/zinc/43/39/36/919433936.db2.gz IFKGJGDGSFZMIO-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001367079898 919434331 /nfs/dbraw/zinc/43/43/31/919434331.db2.gz ZHCZNPACAOBMEA-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001367072281 919434724 /nfs/dbraw/zinc/43/47/24/919434724.db2.gz OZDQDDUEVHJZOT-VXGBXAGGSA-N 1 1 316.402 -1.025 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001367071428 919434758 /nfs/dbraw/zinc/43/47/58/919434758.db2.gz ZDWPELYTOXDEIY-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001367071428 919434768 /nfs/dbraw/zinc/43/47/68/919434768.db2.gz ZDWPELYTOXDEIY-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001367058753 919435652 /nfs/dbraw/zinc/43/56/52/919435652.db2.gz YOBMTYVLDSBUKE-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnnn1C ZINC001367101311 919438780 /nfs/dbraw/zinc/43/87/80/919438780.db2.gz OPDJFWHPHXCDAR-SECBINFHSA-N 1 1 320.357 -1.398 20 0 DAADMO Cn1ncc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001367190011 919442863 /nfs/dbraw/zinc/44/28/63/919442863.db2.gz LWBFBBFKHCRLDU-FZMZJTMJSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1nnn(C)n1 ZINC001367245816 919444824 /nfs/dbraw/zinc/44/48/24/919444824.db2.gz SCQPNRGXNOQPCV-VIFPVBQESA-N 1 1 320.357 -1.045 20 0 DAADMO C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1nnn(C)n1 ZINC001367245798 919445535 /nfs/dbraw/zinc/44/55/35/919445535.db2.gz SCQPNRGXNOQPCV-SECBINFHSA-N 1 1 320.357 -1.045 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001367253655 919445791 /nfs/dbraw/zinc/44/57/91/919445791.db2.gz GTUSMKWQRUTYBB-VIFPVBQESA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303561 919451474 /nfs/dbraw/zinc/45/14/74/919451474.db2.gz QNZFTNKDFPKNPG-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001367303561 919451483 /nfs/dbraw/zinc/45/14/83/919451483.db2.gz QNZFTNKDFPKNPG-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306798 919454946 /nfs/dbraw/zinc/45/49/46/919454946.db2.gz JFKNBDATEAWNEV-WCQYABFASA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306798 919454952 /nfs/dbraw/zinc/45/49/52/919454952.db2.gz JFKNBDATEAWNEV-WCQYABFASA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306795 919455426 /nfs/dbraw/zinc/45/54/26/919455426.db2.gz JFKNBDATEAWNEV-DGCLKSJQSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCc2cnn(C)n2)C1 ZINC001367306795 919455429 /nfs/dbraw/zinc/45/54/29/919455429.db2.gz JFKNBDATEAWNEV-DGCLKSJQSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305395 919455549 /nfs/dbraw/zinc/45/55/49/919455549.db2.gz GMCLEMAFJNUJDA-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001367305395 919455560 /nfs/dbraw/zinc/45/55/60/919455560.db2.gz GMCLEMAFJNUJDA-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2ncnn2)n1 ZINC001367345415 919459605 /nfs/dbraw/zinc/45/96/05/919459605.db2.gz AODZFIMHUDSOBM-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001367362381 919461008 /nfs/dbraw/zinc/46/10/08/919461008.db2.gz AVQDYEONUQTRGV-SECBINFHSA-N 1 1 319.387 -1.103 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1CCOCC1=O ZINC001367363321 919461100 /nfs/dbraw/zinc/46/11/00/919461100.db2.gz ZHIMHPNVDVOKMM-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cnnn2C)CC1 ZINC001367372726 919462077 /nfs/dbraw/zinc/46/20/77/919462077.db2.gz FRPWAOTZCVLQON-UHFFFAOYSA-N 1 1 309.374 -1.175 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnon1 ZINC001367477454 919468320 /nfs/dbraw/zinc/46/83/20/919468320.db2.gz BAATXZQRBAPRMF-UWVGGRQHSA-N 1 1 324.341 -1.102 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001367485163 919468511 /nfs/dbraw/zinc/46/85/11/919468511.db2.gz PIZFEYLGKCLLFL-RYUDHWBXSA-N 1 1 318.443 -1.034 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1C ZINC001367478277 919468645 /nfs/dbraw/zinc/46/86/45/919468645.db2.gz HSYXYUVOYJTTFD-UWVGGRQHSA-N 1 1 309.374 -1.273 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503785 919468904 /nfs/dbraw/zinc/46/89/04/919468904.db2.gz UOWHIDMQQVVGRA-BDAKNGLRSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503785 919468922 /nfs/dbraw/zinc/46/89/22/919468922.db2.gz UOWHIDMQQVVGRA-BDAKNGLRSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503788 919469747 /nfs/dbraw/zinc/46/97/47/919469747.db2.gz UOWHIDMQQVVGRA-RKDXNWHRSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503788 919469754 /nfs/dbraw/zinc/46/97/54/919469754.db2.gz UOWHIDMQQVVGRA-RKDXNWHRSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367503787 919470199 /nfs/dbraw/zinc/47/01/99/919470199.db2.gz UOWHIDMQQVVGRA-IUCAKERBSA-N 1 1 314.342 -1.619 20 0 DAADMO COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367503787 919470210 /nfs/dbraw/zinc/47/02/10/919470210.db2.gz UOWHIDMQQVVGRA-IUCAKERBSA-N 1 1 314.342 -1.619 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnnn1C ZINC001367510210 919471806 /nfs/dbraw/zinc/47/18/06/919471806.db2.gz BJQMTPOXEWEFQK-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1cnnn1C ZINC001367510210 919471816 /nfs/dbraw/zinc/47/18/16/919471816.db2.gz BJQMTPOXEWEFQK-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001367539097 919472561 /nfs/dbraw/zinc/47/25/61/919472561.db2.gz WZFUHXQZQBLATP-SDDRHHMPSA-N 1 1 317.386 -1.583 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001367519165 919472596 /nfs/dbraw/zinc/47/25/96/919472596.db2.gz SCWVHELGBLGEDH-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001367539460 919472904 /nfs/dbraw/zinc/47/29/04/919472904.db2.gz YSXULPNXOYYQRQ-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001367525796 919473699 /nfs/dbraw/zinc/47/36/99/919473699.db2.gz BHGKOWVUQICVQW-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001367525796 919473703 /nfs/dbraw/zinc/47/37/03/919473703.db2.gz BHGKOWVUQICVQW-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)CC(=O)NC)C1 ZINC001367550520 919476471 /nfs/dbraw/zinc/47/64/71/919476471.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)CC(=O)NC)C1 ZINC001367550520 919476484 /nfs/dbraw/zinc/47/64/84/919476484.db2.gz HDAZVDQQGROITR-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001367547489 919476690 /nfs/dbraw/zinc/47/66/90/919476690.db2.gz NUPYUSCFHAECFB-SECBINFHSA-N 1 1 312.374 -1.846 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001367547489 919476702 /nfs/dbraw/zinc/47/67/02/919476702.db2.gz NUPYUSCFHAECFB-SECBINFHSA-N 1 1 312.374 -1.846 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001367554232 919477091 /nfs/dbraw/zinc/47/70/91/919477091.db2.gz WZHAAQADEVUGBO-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001367554232 919477102 /nfs/dbraw/zinc/47/71/02/919477102.db2.gz WZHAAQADEVUGBO-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nnnn2C)C1 ZINC001367560593 919477832 /nfs/dbraw/zinc/47/78/32/919477832.db2.gz KQCVBGIVWPNMHP-RYUDHWBXSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nnnn2C)C1 ZINC001367560593 919477841 /nfs/dbraw/zinc/47/78/41/919477841.db2.gz KQCVBGIVWPNMHP-RYUDHWBXSA-N 1 1 321.385 -1.231 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001367551083 919478134 /nfs/dbraw/zinc/47/81/34/919478134.db2.gz HQCJQAIJHICFAG-RYUDHWBXSA-N 1 1 316.402 -1.073 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cccn1 ZINC001367570884 919479631 /nfs/dbraw/zinc/47/96/31/919479631.db2.gz KSFIBQUUUWMRBF-LLVKDONJSA-N 1 1 307.358 -1.239 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O)c1nncn1C ZINC001367566896 919480198 /nfs/dbraw/zinc/48/01/98/919480198.db2.gz NRGASWRRLXYYDN-WDEREUQCSA-N 1 1 324.385 -1.435 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367571088 919480249 /nfs/dbraw/zinc/48/02/49/919480249.db2.gz SFDBQIZAOSIILH-SECBINFHSA-N 1 1 300.319 -2.262 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)[C@@H]1CCCO1 ZINC001367566206 919481427 /nfs/dbraw/zinc/48/14/27/919481427.db2.gz DFXKBLOSIIJMLU-QWRGUYRKSA-N 1 1 315.349 -1.007 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001367573550 919483617 /nfs/dbraw/zinc/48/36/17/919483617.db2.gz ULLDOHFVPIBNHW-ZYHUDNBSSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc(C)[nH]2)nn1 ZINC001367575853 919483720 /nfs/dbraw/zinc/48/37/20/919483720.db2.gz CBAAPAFYHVXSIG-NSHDSACASA-N 1 1 322.373 -1.466 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1=COCCO1)c1nncn1C ZINC001367573498 919484283 /nfs/dbraw/zinc/48/42/83/919484283.db2.gz OMWANUKUKGALHD-ZJUUUORDSA-N 1 1 311.342 -1.169 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)Cn2cnnn2)cs1 ZINC001367572702 919484555 /nfs/dbraw/zinc/48/45/55/919484555.db2.gz YXFPUGDUARMSLT-JTQLQIEISA-N 1 1 311.371 -1.295 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001367580613 919490124 /nfs/dbraw/zinc/49/01/24/919490124.db2.gz LAQRCHZLTCSRAZ-KOLCDFICSA-N 1 1 311.342 -1.665 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cnn1 ZINC001367582202 919490269 /nfs/dbraw/zinc/49/02/69/919490269.db2.gz MWBVYCQWIMAPAH-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001367580357 919490831 /nfs/dbraw/zinc/49/08/31/919490831.db2.gz KWHRTAQIYPBIBQ-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]n1 ZINC001367582589 919491077 /nfs/dbraw/zinc/49/10/77/919491077.db2.gz JBQTUNKHUWKBIJ-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001367582564 919491700 /nfs/dbraw/zinc/49/17/00/919491700.db2.gz NAYMQMXXBBEXHS-GWCFXTLKSA-N 1 1 312.374 -1.672 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001367582574 919492258 /nfs/dbraw/zinc/49/22/58/919492258.db2.gz NAYMQMXXBBEXHS-MFKMUULPSA-N 1 1 312.374 -1.672 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367580714 919492524 /nfs/dbraw/zinc/49/25/24/919492524.db2.gz LLMPYUWXPPFJAX-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367583563 919494390 /nfs/dbraw/zinc/49/43/90/919494390.db2.gz RJXRWYLOYVSPCF-DTWKUNHWSA-N 1 1 301.347 -2.658 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367583715 919494839 /nfs/dbraw/zinc/49/48/39/919494839.db2.gz OMFDNXIJZLXMFG-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001367583359 919495950 /nfs/dbraw/zinc/49/59/50/919495950.db2.gz QDVYJIBRFYTDRW-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367584386 919496219 /nfs/dbraw/zinc/49/62/19/919496219.db2.gz RJXRWYLOYVSPCF-IUCAKERBSA-N 1 1 301.347 -2.658 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367583560 919496233 /nfs/dbraw/zinc/49/62/33/919496233.db2.gz RJXRWYLOYVSPCF-BDAKNGLRSA-N 1 1 301.347 -2.658 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)c(C)o1 ZINC001367587219 919498441 /nfs/dbraw/zinc/49/84/41/919498441.db2.gz UXFAKXODSVVXTL-ONGXEEELSA-N 1 1 312.326 -1.033 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001367586452 919498588 /nfs/dbraw/zinc/49/85/88/919498588.db2.gz UJJJGZXABCTGQE-IONNQARKSA-N 1 1 308.346 -1.317 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC1=O ZINC001367586970 919498680 /nfs/dbraw/zinc/49/86/80/919498680.db2.gz WPZSRQVNRFGXRN-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001367586449 919499175 /nfs/dbraw/zinc/49/91/75/919499175.db2.gz UJJJGZXABCTGQE-APPZFPTMSA-N 1 1 308.346 -1.317 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc2cnc[nH]2)C1=O ZINC001367586942 919499346 /nfs/dbraw/zinc/49/93/46/919499346.db2.gz WHHQMMMHDATXIG-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)nn1 ZINC001367588865 919501365 /nfs/dbraw/zinc/50/13/65/919501365.db2.gz UAVFEGBPGWZTFD-GFCCVEGCSA-N 1 1 307.358 -1.170 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001367590037 919501457 /nfs/dbraw/zinc/50/14/57/919501457.db2.gz ZJBDNOBQJYEOAC-LBPRGKRZSA-N 1 1 307.358 -1.088 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C1CC1 ZINC001367588236 919501577 /nfs/dbraw/zinc/50/15/77/919501577.db2.gz YSLIZZUTSVBDMU-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001367588747 919502136 /nfs/dbraw/zinc/50/21/36/919502136.db2.gz RUZRVNYXFIJMOA-VIFPVBQESA-N 1 1 319.387 -2.091 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001367592934 919504175 /nfs/dbraw/zinc/50/41/75/919504175.db2.gz UWIKOJVZEVMSBO-MRVPVSSYSA-N 1 1 318.359 -3.179 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367593219 919504341 /nfs/dbraw/zinc/50/43/41/919504341.db2.gz JNJYCJCHYZPDOZ-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]c(=O)c2)nn1 ZINC001367592492 919504670 /nfs/dbraw/zinc/50/46/70/919504670.db2.gz WRQVOFFKUGKQNW-LLVKDONJSA-N 1 1 321.341 -1.326 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)c1cn2c(n1)COCC2 ZINC001367593115 919506624 /nfs/dbraw/zinc/50/66/24/919506624.db2.gz ILUVBWUWRXKSOV-JTQLQIEISA-N 1 1 322.325 -1.323 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)n1 ZINC001367591780 919507090 /nfs/dbraw/zinc/50/70/90/919507090.db2.gz RYNJMIYHVLVGRD-NWDGAFQWSA-N 1 1 324.385 -1.467 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001367597890 919508014 /nfs/dbraw/zinc/50/80/14/919508014.db2.gz LEXOEXHXKCJTHE-ONGXEEELSA-N 1 1 311.342 -1.495 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001367597577 919509216 /nfs/dbraw/zinc/50/92/16/919509216.db2.gz AZYQHWUVNOKBEF-QWRGUYRKSA-N 1 1 324.385 -1.559 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001367600633 919512147 /nfs/dbraw/zinc/51/21/47/919512147.db2.gz CCSDSNOKVHNOTE-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO COc1coc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001367599740 919512920 /nfs/dbraw/zinc/51/29/20/919512920.db2.gz NJFUKEUKAKIUDW-VIFPVBQESA-N 1 1 324.293 -1.088 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001367602973 919515685 /nfs/dbraw/zinc/51/56/85/919515685.db2.gz SOQOMRWEDVWJGH-IUCAKERBSA-N 1 1 311.346 -2.697 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)c1nncn1C ZINC001367602395 919516069 /nfs/dbraw/zinc/51/60/69/919516069.db2.gz OOPOGJBULNWQOE-RKDXNWHRSA-N 1 1 323.357 -1.304 20 0 DAADMO Cn1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001367603245 919517763 /nfs/dbraw/zinc/51/77/63/919517763.db2.gz GDWYJSIZKRSRGH-OLZOCXBDSA-N 1 1 310.402 -1.134 20 0 DAADMO CCCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367607802 919523497 /nfs/dbraw/zinc/52/34/97/919523497.db2.gz NDVPUUXCQGNTGO-VIFPVBQESA-N 1 1 322.373 -1.234 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)n1 ZINC001367610644 919524375 /nfs/dbraw/zinc/52/43/75/919524375.db2.gz NKMNULIFFRNMJC-CMPLNLGQSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001367608918 919525119 /nfs/dbraw/zinc/52/51/19/919525119.db2.gz PKOZENUPEPJSFV-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001367608924 919525433 /nfs/dbraw/zinc/52/54/33/919525433.db2.gz PKOZENUPEPJSFV-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)n1 ZINC001367610645 919526100 /nfs/dbraw/zinc/52/61/00/919526100.db2.gz NKMNULIFFRNMJC-JQWIXIFHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001367611227 919529307 /nfs/dbraw/zinc/52/93/07/919529307.db2.gz WACXNSFSGZAGCW-SECBINFHSA-N 1 1 319.369 -1.093 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001367617718 919530468 /nfs/dbraw/zinc/53/04/68/919530468.db2.gz VVAYOFKQVISJJZ-VIFPVBQESA-N 1 1 320.357 -1.309 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001367615578 919533203 /nfs/dbraw/zinc/53/32/03/919533203.db2.gz FIFFLBAJAKDOTD-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001367618140 919533517 /nfs/dbraw/zinc/53/35/17/919533517.db2.gz XQWCMHOISACNAR-JTQLQIEISA-N 1 1 311.371 -1.213 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001367619516 919535641 /nfs/dbraw/zinc/53/56/41/919535641.db2.gz OGPOSNUNAJKRPB-WDEREUQCSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001367621518 919536847 /nfs/dbraw/zinc/53/68/47/919536847.db2.gz KTLAFMMKBOLUFA-VIFPVBQESA-N 1 1 308.346 -1.775 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367625501 919539551 /nfs/dbraw/zinc/53/95/51/919539551.db2.gz QRZUZVNRIAOFII-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367625501 919539563 /nfs/dbraw/zinc/53/95/63/919539563.db2.gz QRZUZVNRIAOFII-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001367629474 919543386 /nfs/dbraw/zinc/54/33/86/919543386.db2.gz ZCMPCXPNABKDDV-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO COCc1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367629068 919543522 /nfs/dbraw/zinc/54/35/22/919543522.db2.gz YIWBLCWIXZEVIM-SNVBAGLBSA-N 1 1 324.341 -1.170 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001367630476 919544897 /nfs/dbraw/zinc/54/48/97/919544897.db2.gz MROULCDYEVZTHF-JTQLQIEISA-N 1 1 319.387 -2.184 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccn(C)n2)nn1 ZINC001367630257 919545250 /nfs/dbraw/zinc/54/52/50/919545250.db2.gz ZPSZFQIWHFPZMJ-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)o1 ZINC001367633013 919547308 /nfs/dbraw/zinc/54/73/08/919547308.db2.gz VBQGLAIEZALDRF-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001367664129 919551404 /nfs/dbraw/zinc/55/14/04/919551404.db2.gz ORJSCFFHKPNPQQ-VIFPVBQESA-N 1 1 322.373 -1.063 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCC(=O)NC1=O ZINC001367708653 919558719 /nfs/dbraw/zinc/55/87/19/919558719.db2.gz IDQJIMOJSBQWAY-SECBINFHSA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001367717176 919561357 /nfs/dbraw/zinc/56/13/57/919561357.db2.gz UNDOCJFOAXIRPV-MWLCHTKSSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)Cn1cnnn1 ZINC001367724714 919562422 /nfs/dbraw/zinc/56/24/22/919562422.db2.gz ZUXCOPMROFQTAN-QMMMGPOBSA-N 1 1 305.346 -1.037 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CCc1nc[nH]n1 ZINC001367735059 919562770 /nfs/dbraw/zinc/56/27/70/919562770.db2.gz ZLORGHZWSXZEIY-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001367730394 919563957 /nfs/dbraw/zinc/56/39/57/919563957.db2.gz ADFMOLLIVKWWTA-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncs1)NC(=O)CN1CCNC(=O)C1 ZINC001367747637 919564720 /nfs/dbraw/zinc/56/47/20/919564720.db2.gz BWWXFYFOFOTFLQ-VIFPVBQESA-N 1 1 312.399 -1.436 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1cnn[nH]1 ZINC001367743092 919564986 /nfs/dbraw/zinc/56/49/86/919564986.db2.gz SXAUXGZQTRDGSI-VIFPVBQESA-N 1 1 310.358 -1.192 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)CN2CCOCC2=O)n1 ZINC001367739842 919565966 /nfs/dbraw/zinc/56/59/66/919565966.db2.gz LPENZCMFRCHNKL-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001367739854 919567064 /nfs/dbraw/zinc/56/70/64/919567064.db2.gz QNXKRDAPZALULO-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)Cn2ncn(C)c2=O)n1 ZINC001367742007 919567169 /nfs/dbraw/zinc/56/71/69/919567169.db2.gz DXZPFVTWZOCKOS-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001367781777 919568366 /nfs/dbraw/zinc/56/83/66/919568366.db2.gz LDKUNCPEJWZMQX-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001367781777 919568380 /nfs/dbraw/zinc/56/83/80/919568380.db2.gz LDKUNCPEJWZMQX-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO COc1c(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)cnn1C ZINC001367771888 919568741 /nfs/dbraw/zinc/56/87/41/919568741.db2.gz PLLGNVRMNDVYCO-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001367770394 919569370 /nfs/dbraw/zinc/56/93/70/919569370.db2.gz FTCXJJWTOWFOJD-VIFPVBQESA-N 1 1 301.372 -1.380 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001367780430 919570131 /nfs/dbraw/zinc/57/01/31/919570131.db2.gz INRUSZHHISLKKF-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001367780430 919570145 /nfs/dbraw/zinc/57/01/45/919570145.db2.gz INRUSZHHISLKKF-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001367787632 919571045 /nfs/dbraw/zinc/57/10/45/919571045.db2.gz BLRWOVCHQDHNEV-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001367787632 919571058 /nfs/dbraw/zinc/57/10/58/919571058.db2.gz BLRWOVCHQDHNEV-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1nccn1C ZINC001367824531 919572682 /nfs/dbraw/zinc/57/26/82/919572682.db2.gz LHGFWQJIXAXOQS-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1nccn1C ZINC001367824531 919572689 /nfs/dbraw/zinc/57/26/89/919572689.db2.gz LHGFWQJIXAXOQS-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367814806 919572725 /nfs/dbraw/zinc/57/27/25/919572725.db2.gz ORYMDAVFIZCUMH-CMPLNLGQSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367814806 919572739 /nfs/dbraw/zinc/57/27/39/919572739.db2.gz ORYMDAVFIZCUMH-CMPLNLGQSA-N 1 1 322.427 -1.135 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001367815566 919573002 /nfs/dbraw/zinc/57/30/02/919573002.db2.gz BJPKWQICUMALJN-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001367815566 919573020 /nfs/dbraw/zinc/57/30/20/919573020.db2.gz BJPKWQICUMALJN-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnnn1C ZINC001367811538 919573353 /nfs/dbraw/zinc/57/33/53/919573353.db2.gz XFWVSGXSRBQHBI-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnnn1C ZINC001367811538 919573368 /nfs/dbraw/zinc/57/33/68/919573368.db2.gz XFWVSGXSRBQHBI-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367806260 919573599 /nfs/dbraw/zinc/57/35/99/919573599.db2.gz VIKDONANSIZHFA-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367806260 919573609 /nfs/dbraw/zinc/57/36/09/919573609.db2.gz VIKDONANSIZHFA-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccc(=O)n1C ZINC001367831693 919573866 /nfs/dbraw/zinc/57/38/66/919573866.db2.gz NKLIGHYFWSOWQR-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cccc(=O)n1C ZINC001367831693 919573871 /nfs/dbraw/zinc/57/38/71/919573871.db2.gz NKLIGHYFWSOWQR-SECBINFHSA-N 1 1 323.353 -1.370 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001367803097 919575256 /nfs/dbraw/zinc/57/52/56/919575256.db2.gz JVOCSLHQWKUODL-MNOVXSKESA-N 1 1 312.370 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001367790179 919575306 /nfs/dbraw/zinc/57/53/06/919575306.db2.gz HXLZSWDCGTZJBX-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001367790179 919575321 /nfs/dbraw/zinc/57/53/21/919575321.db2.gz HXLZSWDCGTZJBX-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC ZINC001367806877 919575726 /nfs/dbraw/zinc/57/57/26/919575726.db2.gz RHGYSQWKIXEBCP-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001367806877 919575735 /nfs/dbraw/zinc/57/57/35/919575735.db2.gz RHGYSQWKIXEBCP-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793574 919575774 /nfs/dbraw/zinc/57/57/74/919575774.db2.gz MSFFVURWHWUVAB-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793574 919575789 /nfs/dbraw/zinc/57/57/89/919575789.db2.gz MSFFVURWHWUVAB-IUCAKERBSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001367830309 919576039 /nfs/dbraw/zinc/57/60/39/919576039.db2.gz HVXKEHOBMSBIGL-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001367830309 919576045 /nfs/dbraw/zinc/57/60/45/919576045.db2.gz HVXKEHOBMSBIGL-UWVGGRQHSA-N 1 1 308.386 -1.158 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001367842684 919578034 /nfs/dbraw/zinc/57/80/34/919578034.db2.gz DGNLZVUEGWPUSO-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001367842684 919578043 /nfs/dbraw/zinc/57/80/43/919578043.db2.gz DGNLZVUEGWPUSO-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842480 919578066 /nfs/dbraw/zinc/57/80/66/919578066.db2.gz JAYCKUCBCWTRMT-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001367842480 919578078 /nfs/dbraw/zinc/57/80/78/919578078.db2.gz JAYCKUCBCWTRMT-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842554 919579487 /nfs/dbraw/zinc/57/94/87/919579487.db2.gz KGYPYXSHXIEBPG-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001367842554 919579494 /nfs/dbraw/zinc/57/94/94/919579494.db2.gz KGYPYXSHXIEBPG-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367866815 919581217 /nfs/dbraw/zinc/58/12/17/919581217.db2.gz KEMRNNGMRGTDHK-TUAOUCFPSA-N 1 1 316.402 -1.027 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001367869678 919581445 /nfs/dbraw/zinc/58/14/45/919581445.db2.gz PXQMFGDQDNFCLM-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001367869678 919581455 /nfs/dbraw/zinc/58/14/55/919581455.db2.gz PXQMFGDQDNFCLM-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001367878092 919582882 /nfs/dbraw/zinc/58/28/82/919582882.db2.gz BCRYDXPFDYFDNF-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001367878092 919582895 /nfs/dbraw/zinc/58/28/95/919582895.db2.gz BCRYDXPFDYFDNF-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001367882385 919582927 /nfs/dbraw/zinc/58/29/27/919582927.db2.gz WFCZSUDUPGOLAI-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001367882390 919582950 /nfs/dbraw/zinc/58/29/50/919582950.db2.gz WFCZSUDUPGOLAI-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001367922948 919584175 /nfs/dbraw/zinc/58/41/75/919584175.db2.gz KGDXSUYUFCSXFC-AAEUAGOBSA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001367903373 919585697 /nfs/dbraw/zinc/58/56/97/919585697.db2.gz MTKBVEDPLFLKQG-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001367903373 919585707 /nfs/dbraw/zinc/58/57/07/919585707.db2.gz MTKBVEDPLFLKQG-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001367898596 919585892 /nfs/dbraw/zinc/58/58/92/919585892.db2.gz XYHKWCFCTGRJKV-GHMZBOCLSA-N 1 1 310.358 -1.390 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001367889064 919586094 /nfs/dbraw/zinc/58/60/94/919586094.db2.gz FBPVRKGRLIGSFV-JTQLQIEISA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)CC[N@H+]1C ZINC001367934215 919588087 /nfs/dbraw/zinc/58/80/87/919588087.db2.gz DVESZYIFUWKZHL-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367955082 919592688 /nfs/dbraw/zinc/59/26/88/919592688.db2.gz VYCQDYKFBUHFQY-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCNS(C)(=O)=O ZINC001367948703 919593810 /nfs/dbraw/zinc/59/38/10/919593810.db2.gz HOFFVBWUVITUHD-VXGBXAGGSA-N 1 1 318.443 -1.180 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367955088 919594188 /nfs/dbraw/zinc/59/41/88/919594188.db2.gz VYCQDYKFBUHFQY-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001367961509 919595213 /nfs/dbraw/zinc/59/52/13/919595213.db2.gz PJXBDRUFFWYPGX-QWHCGFSZSA-N 1 1 311.386 -1.055 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCN2C)CC1)C(=O)NC(N)=O ZINC001367994264 919599748 /nfs/dbraw/zinc/59/97/48/919599748.db2.gz YXHJKYZZBCUZJJ-VHSXEESVSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)NC[C@@H]1CCOC1 ZINC001368005043 919603276 /nfs/dbraw/zinc/60/32/76/919603276.db2.gz GEOMPBJDZIEMOE-JTQLQIEISA-N 1 1 322.369 -1.191 20 0 DAADMO O=C(NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1)c1ncn[nH]1 ZINC001368024350 919604822 /nfs/dbraw/zinc/60/48/22/919604822.db2.gz COIVASPQGWTJKY-JTQLQIEISA-N 1 1 305.342 -1.086 20 0 DAADMO O=C(NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1)c1nc[nH]n1 ZINC001368024350 919604827 /nfs/dbraw/zinc/60/48/27/919604827.db2.gz COIVASPQGWTJKY-JTQLQIEISA-N 1 1 305.342 -1.086 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001368060963 919608670 /nfs/dbraw/zinc/60/86/70/919608670.db2.gz DBOOJFPVIUSXFK-GXTWGEPZSA-N 1 1 324.385 -1.395 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001368065083 919608772 /nfs/dbraw/zinc/60/87/72/919608772.db2.gz VASXUDSMRUBTNI-SWLSCSKDSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001368061070 919609224 /nfs/dbraw/zinc/60/92/24/919609224.db2.gz DBOOJFPVIUSXFK-TZMCWYRMSA-N 1 1 324.385 -1.395 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001368059049 919609754 /nfs/dbraw/zinc/60/97/54/919609754.db2.gz AYIAVQYLWWIKJF-CYBMUJFWSA-N 1 1 319.427 -1.028 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C[C@H](O)COC)C2)C1 ZINC001368088577 919614836 /nfs/dbraw/zinc/61/48/36/919614836.db2.gz KXXVHWSZXDCBKU-KBPBESRZSA-N 1 1 315.414 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C[C@H](O)COC)C2)C1 ZINC001368088577 919614843 /nfs/dbraw/zinc/61/48/43/919614843.db2.gz KXXVHWSZXDCBKU-KBPBESRZSA-N 1 1 315.414 -1.143 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001368082863 919615858 /nfs/dbraw/zinc/61/58/58/919615858.db2.gz HAJCVERPEGZUMM-SKDRFNHKSA-N 1 1 314.386 -1.456 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368159631 919621519 /nfs/dbraw/zinc/62/15/19/919621519.db2.gz GLEJVDNLDKUAML-HZMBPMFUSA-N 1 1 310.354 -1.029 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368156591 919623300 /nfs/dbraw/zinc/62/33/00/919623300.db2.gz RKXACLDYKFVEBY-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368156591 919623304 /nfs/dbraw/zinc/62/33/04/919623304.db2.gz RKXACLDYKFVEBY-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001368150711 919623333 /nfs/dbraw/zinc/62/33/33/919623333.db2.gz IAQRXPCUJIXLQS-ZWNOBZJWSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](CCCO)C1 ZINC001368161461 919623522 /nfs/dbraw/zinc/62/35/22/919623522.db2.gz JJNGEBDMWWNYPY-AWEZNQCLSA-N 1 1 310.354 -1.088 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001368150706 919623534 /nfs/dbraw/zinc/62/35/34/919623534.db2.gz IAQRXPCUJIXLQS-MFKMUULPSA-N 1 1 302.375 -1.497 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368159641 919623608 /nfs/dbraw/zinc/62/36/08/919623608.db2.gz GLEJVDNLDKUAML-QMTHXVAHSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169597 919623642 /nfs/dbraw/zinc/62/36/42/919623642.db2.gz DSYOUBCAZIKNJO-RNCFNFMXSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001368169597 919623649 /nfs/dbraw/zinc/62/36/49/919623649.db2.gz DSYOUBCAZIKNJO-RNCFNFMXSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCn2cncn2)C1 ZINC001368163075 919623912 /nfs/dbraw/zinc/62/39/12/919623912.db2.gz XEUITNNIXRHHOG-GFCCVEGCSA-N 1 1 305.346 -1.455 20 0 DAADMO C[C@]1(NC(=O)Cn2cncn2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368174956 919625951 /nfs/dbraw/zinc/62/59/51/919625951.db2.gz LZHIVNCLAWXYCI-LBPRGKRZSA-N 1 1 309.330 -1.946 20 0 DAADMO C[C@]1(NC(=O)Cn2cncn2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368174956 919625970 /nfs/dbraw/zinc/62/59/70/919625970.db2.gz LZHIVNCLAWXYCI-LBPRGKRZSA-N 1 1 309.330 -1.946 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001368223994 919627193 /nfs/dbraw/zinc/62/71/93/919627193.db2.gz RXOREEBHUYBOPL-YGRLFVJLSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001368223990 919627132 /nfs/dbraw/zinc/62/71/32/919627132.db2.gz RXOREEBHUYBOPL-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001368223990 919627139 /nfs/dbraw/zinc/62/71/39/919627139.db2.gz RXOREEBHUYBOPL-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(C)CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001368223994 919627188 /nfs/dbraw/zinc/62/71/88/919627188.db2.gz RXOREEBHUYBOPL-YGRLFVJLSA-N 1 1 311.386 -1.286 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]2(C)CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001368194462 919627372 /nfs/dbraw/zinc/62/73/72/919627372.db2.gz UWYNIUMQNAROPA-LBPRGKRZSA-N 1 1 305.346 -1.030 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cn3cncn3)C2)n1 ZINC001368191101 919627564 /nfs/dbraw/zinc/62/75/64/919627564.db2.gz CTJKAWXLJJRHRF-CYBMUJFWSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(C)CCC[N@@H+](CCO)C2)c1=O ZINC001368226872 919627601 /nfs/dbraw/zinc/62/76/01/919627601.db2.gz JGLNGBPVLJLCFD-AWEZNQCLSA-N 1 1 311.386 -1.208 20 0 DAADMO C[C@@]1(CNC(=O)c2cn(CC(N)=O)nn2)CCC[N@@H+](CCO)C1 ZINC001368225853 919627707 /nfs/dbraw/zinc/62/77/07/919627707.db2.gz VVLNSLAJHZRXOG-AWEZNQCLSA-N 1 1 324.385 -1.412 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)CCC[N@H+](CC(N)=O)C2)NC1=O ZINC001368223992 919628560 /nfs/dbraw/zinc/62/85/60/919628560.db2.gz RXOREEBHUYBOPL-QMTHXVAHSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(C)CCC[N@@H+](CC(N)=O)C2)NC1=O ZINC001368223992 919628574 /nfs/dbraw/zinc/62/85/74/919628574.db2.gz RXOREEBHUYBOPL-QMTHXVAHSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCOC)C1 ZINC001368244856 919629913 /nfs/dbraw/zinc/62/99/13/919629913.db2.gz HRIVLIZZPZVCHM-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCOC)C1 ZINC001368244856 919629922 /nfs/dbraw/zinc/62/99/22/919629922.db2.gz HRIVLIZZPZVCHM-ZDUSSCGKSA-N 1 1 316.358 -1.969 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cccn3)C2)C1=O ZINC001368240233 919630492 /nfs/dbraw/zinc/63/04/92/919630492.db2.gz HSZZFEFYKXGOKV-SWLSCSKDSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368244220 919630716 /nfs/dbraw/zinc/63/07/16/919630716.db2.gz DPJYVYSOEXIELZ-IINYFYTJSA-N 1 1 310.354 -1.095 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001368241891 919631246 /nfs/dbraw/zinc/63/12/46/919631246.db2.gz BOQKGTIFZNZAJV-MISXGVKJSA-N 1 1 315.370 -2.175 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001368240727 919631934 /nfs/dbraw/zinc/63/19/34/919631934.db2.gz UTBLRCYRHKRUBV-SMDDNHRTSA-N 1 1 312.370 -2.094 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368236872 919632116 /nfs/dbraw/zinc/63/21/16/919632116.db2.gz BECZYSMCQQYRFA-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001368236872 919632123 /nfs/dbraw/zinc/63/21/23/919632123.db2.gz BECZYSMCQQYRFA-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001368241806 919632192 /nfs/dbraw/zinc/63/21/92/919632192.db2.gz VSYUNYNBSCRLJH-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001368241806 919632201 /nfs/dbraw/zinc/63/22/01/919632201.db2.gz VSYUNYNBSCRLJH-GFCCVEGCSA-N 1 1 313.383 -1.207 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)cn1 ZINC001368242314 919632932 /nfs/dbraw/zinc/63/29/32/919632932.db2.gz MRALTYRNUDAVBB-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001368246066 919634168 /nfs/dbraw/zinc/63/41/68/919634168.db2.gz LQOFKMNCCADMSU-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001368246066 919634186 /nfs/dbraw/zinc/63/41/86/919634186.db2.gz LQOFKMNCCADMSU-HZMBPMFUSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001368246165 919634484 /nfs/dbraw/zinc/63/44/84/919634484.db2.gz CNMJDMJKLRXDAM-CYBMUJFWSA-N 1 1 315.374 -2.443 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001368246165 919634493 /nfs/dbraw/zinc/63/44/93/919634493.db2.gz CNMJDMJKLRXDAM-CYBMUJFWSA-N 1 1 315.374 -2.443 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001368246157 919634657 /nfs/dbraw/zinc/63/46/57/919634657.db2.gz DHUCXRJMXIWCAQ-OCCSQVGLSA-N 1 1 301.387 -1.748 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001368246651 919634950 /nfs/dbraw/zinc/63/49/50/919634950.db2.gz NOGBDMKILZMWPE-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO CCC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001368248511 919635195 /nfs/dbraw/zinc/63/51/95/919635195.db2.gz JYZMXOXGYSAVQX-CMPLNLGQSA-N 1 1 323.415 -2.011 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368246019 919635613 /nfs/dbraw/zinc/63/56/13/919635613.db2.gz HNSGREKULIVLQU-BXUZGUMPSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368246019 919635630 /nfs/dbraw/zinc/63/56/30/919635630.db2.gz HNSGREKULIVLQU-BXUZGUMPSA-N 1 1 307.354 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001368247268 919635659 /nfs/dbraw/zinc/63/56/59/919635659.db2.gz DVNXPYLCSXPSBL-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001368247268 919635673 /nfs/dbraw/zinc/63/56/73/919635673.db2.gz DVNXPYLCSXPSBL-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368247962 919635704 /nfs/dbraw/zinc/63/57/04/919635704.db2.gz JSIVABBMINJFJD-CQSZACIVSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368247962 919635711 /nfs/dbraw/zinc/63/57/11/919635711.db2.gz JSIVABBMINJFJD-CQSZACIVSA-N 1 1 310.354 -1.142 20 0 DAADMO Cn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001368246657 919635831 /nfs/dbraw/zinc/63/58/31/919635831.db2.gz NOGBDMKILZMWPE-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001368246654 919636213 /nfs/dbraw/zinc/63/62/13/919636213.db2.gz NOGBDMKILZMWPE-SWLSCSKDSA-N 1 1 321.381 -1.135 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)o1 ZINC001368249779 919636356 /nfs/dbraw/zinc/63/63/56/919636356.db2.gz LWHWDHAOIQCKFT-WFASDCNBSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)o1 ZINC001368249779 919636371 /nfs/dbraw/zinc/63/63/71/919636371.db2.gz LWHWDHAOIQCKFT-WFASDCNBSA-N 1 1 322.365 -1.033 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001368246140 919636956 /nfs/dbraw/zinc/63/69/56/919636956.db2.gz DHUCXRJMXIWCAQ-GXTWGEPZSA-N 1 1 301.387 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368250438 919637144 /nfs/dbraw/zinc/63/71/44/919637144.db2.gz NRJWJFTXBDLXKT-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368250438 919637158 /nfs/dbraw/zinc/63/71/58/919637158.db2.gz NRJWJFTXBDLXKT-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001368252607 919638953 /nfs/dbraw/zinc/63/89/53/919638953.db2.gz SUXNRSPQQRMBKZ-NSHDSACASA-N 1 1 308.404 -1.997 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001368257583 919639372 /nfs/dbraw/zinc/63/93/72/919639372.db2.gz FSVBKBJSIBWSOQ-IINYFYTJSA-N 1 1 309.370 -1.360 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001368250973 919639622 /nfs/dbraw/zinc/63/96/22/919639622.db2.gz NCIOBLGWOSXXNN-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001368256341 919639883 /nfs/dbraw/zinc/63/98/83/919639883.db2.gz AOTYFQVWFYSGFN-NOZJJQNGSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001368256341 919639898 /nfs/dbraw/zinc/63/98/98/919639898.db2.gz AOTYFQVWFYSGFN-NOZJJQNGSA-N 1 1 308.342 -2.130 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001368257586 919640274 /nfs/dbraw/zinc/64/02/74/919640274.db2.gz FSVBKBJSIBWSOQ-YGRLFVJLSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256181 919640941 /nfs/dbraw/zinc/64/09/41/919640941.db2.gz JMEFGKSSYPWVGQ-AMIZOPFISA-N 1 1 311.342 -1.834 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001368256181 919640946 /nfs/dbraw/zinc/64/09/46/919640946.db2.gz JMEFGKSSYPWVGQ-AMIZOPFISA-N 1 1 311.342 -1.834 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)NC1=O ZINC001368257750 919641465 /nfs/dbraw/zinc/64/14/65/919641465.db2.gz NECKDBGTGMQHLJ-GWCFXTLKSA-N 1 1 302.350 -1.077 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368264583 919642775 /nfs/dbraw/zinc/64/27/75/919642775.db2.gz OSNMCMACDHRICO-RNCFNFMXSA-N 1 1 313.358 -2.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368264583 919642785 /nfs/dbraw/zinc/64/27/85/919642785.db2.gz OSNMCMACDHRICO-RNCFNFMXSA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001368262386 919643126 /nfs/dbraw/zinc/64/31/26/919643126.db2.gz HHABVSHFINHNMH-OAHLLOKOSA-N 1 1 323.397 -1.201 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001368262386 919643139 /nfs/dbraw/zinc/64/31/39/919643139.db2.gz HHABVSHFINHNMH-OAHLLOKOSA-N 1 1 323.397 -1.201 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368262184 919643232 /nfs/dbraw/zinc/64/32/32/919643232.db2.gz VPRIPFNWZJUDLZ-CYBMUJFWSA-N 1 1 319.325 -2.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001368262184 919643240 /nfs/dbraw/zinc/64/32/40/919643240.db2.gz VPRIPFNWZJUDLZ-CYBMUJFWSA-N 1 1 319.325 -2.224 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001368260150 919643276 /nfs/dbraw/zinc/64/32/76/919643276.db2.gz MNKFCUIBWNOWFZ-CYBMUJFWSA-N 1 1 302.350 -1.076 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001368260150 919643290 /nfs/dbraw/zinc/64/32/90/919643290.db2.gz MNKFCUIBWNOWFZ-CYBMUJFWSA-N 1 1 302.350 -1.076 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)cn1 ZINC001368261724 919643697 /nfs/dbraw/zinc/64/36/97/919643697.db2.gz FIIOIENAGUZNIH-CYBMUJFWSA-N 1 1 320.357 -1.690 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)cn1 ZINC001368261724 919643711 /nfs/dbraw/zinc/64/37/11/919643711.db2.gz FIIOIENAGUZNIH-CYBMUJFWSA-N 1 1 320.357 -1.690 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001368258716 919643741 /nfs/dbraw/zinc/64/37/41/919643741.db2.gz OHUGNHWQVQDIJD-SMDDNHRTSA-N 1 1 314.386 -2.648 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001368260861 919644241 /nfs/dbraw/zinc/64/42/41/919644241.db2.gz SJKGXNPSFZACOS-IINYFYTJSA-N 1 1 322.369 -1.490 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(=O)NC)C1 ZINC001368259281 919645082 /nfs/dbraw/zinc/64/50/82/919645082.db2.gz ZANGCZGEGAXTEA-CYBMUJFWSA-N 1 1 315.374 -2.396 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(=O)NC)C1 ZINC001368259281 919645093 /nfs/dbraw/zinc/64/50/93/919645093.db2.gz ZANGCZGEGAXTEA-CYBMUJFWSA-N 1 1 315.374 -2.396 20 0 DAADMO Cc1cocc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368263151 919645197 /nfs/dbraw/zinc/64/51/97/919645197.db2.gz HXWROZYSCKMVJW-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1cocc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368263151 919645208 /nfs/dbraw/zinc/64/52/08/919645208.db2.gz HXWROZYSCKMVJW-AWEZNQCLSA-N 1 1 324.337 -1.050 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001368263229 919645628 /nfs/dbraw/zinc/64/56/28/919645628.db2.gz IICUDYMIUVSQQP-GMXVVIOVSA-N 1 1 319.427 -1.255 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001368263229 919645639 /nfs/dbraw/zinc/64/56/39/919645639.db2.gz IICUDYMIUVSQQP-GMXVVIOVSA-N 1 1 319.427 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001368262384 919646026 /nfs/dbraw/zinc/64/60/26/919646026.db2.gz HHABVSHFINHNMH-HNNXBMFYSA-N 1 1 323.397 -1.201 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2nc(C)cc2C)C1 ZINC001368262384 919646035 /nfs/dbraw/zinc/64/60/35/919646035.db2.gz HHABVSHFINHNMH-HNNXBMFYSA-N 1 1 323.397 -1.201 20 0 DAADMO Cc1noc(CCC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001368259805 919646256 /nfs/dbraw/zinc/64/62/56/919646256.db2.gz RGVLYYUSPADIIV-CYBMUJFWSA-N 1 1 311.342 -1.651 20 0 DAADMO Cc1noc(CCC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001368259805 919646272 /nfs/dbraw/zinc/64/62/72/919646272.db2.gz RGVLYYUSPADIIV-CYBMUJFWSA-N 1 1 311.342 -1.651 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001368269047 919648159 /nfs/dbraw/zinc/64/81/59/919648159.db2.gz WIQSHAZDZYAFJN-NHYWBVRUSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001368269047 919648175 /nfs/dbraw/zinc/64/81/75/919648175.db2.gz WIQSHAZDZYAFJN-NHYWBVRUSA-N 1 1 319.365 -1.160 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001368269261 919648733 /nfs/dbraw/zinc/64/87/33/919648733.db2.gz ZXTJINZKRTUTIZ-NSHDSACASA-N 1 1 311.379 -1.422 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001368269261 919648745 /nfs/dbraw/zinc/64/87/45/919648745.db2.gz ZXTJINZKRTUTIZ-NSHDSACASA-N 1 1 311.379 -1.422 20 0 DAADMO CCCN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1=O ZINC001368265733 919648817 /nfs/dbraw/zinc/64/88/17/919648817.db2.gz ZVJNGWRSXWEFBQ-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001368266503 919649290 /nfs/dbraw/zinc/64/92/90/919649290.db2.gz NLJMHAXBCYUAJM-NOZJJQNGSA-N 1 1 323.357 -2.393 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001368266503 919649297 /nfs/dbraw/zinc/64/92/97/919649297.db2.gz NLJMHAXBCYUAJM-NOZJJQNGSA-N 1 1 323.357 -2.393 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001368270135 919649323 /nfs/dbraw/zinc/64/93/23/919649323.db2.gz BMNUOIWJQYVWTI-YMTOWFKASA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001368270135 919649331 /nfs/dbraw/zinc/64/93/31/919649331.db2.gz BMNUOIWJQYVWTI-YMTOWFKASA-N 1 1 314.386 -1.672 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001368268419 919649369 /nfs/dbraw/zinc/64/93/69/919649369.db2.gz BNZXGWQYWHPVOX-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267580 919649929 /nfs/dbraw/zinc/64/99/29/919649929.db2.gz ZWXOAUZSMDRIJZ-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001368267580 919649942 /nfs/dbraw/zinc/64/99/42/919649942.db2.gz ZWXOAUZSMDRIJZ-BONVTDFDSA-N 1 1 322.365 -1.574 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001368269457 919650344 /nfs/dbraw/zinc/65/03/44/919650344.db2.gz WLGFKWNSVWZWLP-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)ccc2=O)C1 ZINC001368265690 919650646 /nfs/dbraw/zinc/65/06/46/919650646.db2.gz MUHUJLWCLQNECQ-XHDPSFHLSA-N 1 1 309.366 -1.067 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001368270128 919650989 /nfs/dbraw/zinc/65/09/89/919650989.db2.gz BMNUOIWJQYVWTI-LKFCYVNXSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001368270128 919651001 /nfs/dbraw/zinc/65/10/01/919651001.db2.gz BMNUOIWJQYVWTI-LKFCYVNXSA-N 1 1 314.386 -1.672 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n1C ZINC001368267537 919651654 /nfs/dbraw/zinc/65/16/54/919651654.db2.gz WTUNITDHAJGGGE-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n1C ZINC001368267537 919651665 /nfs/dbraw/zinc/65/16/65/919651665.db2.gz WTUNITDHAJGGGE-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cn2c(n1)COCC2 ZINC001368265037 919651982 /nfs/dbraw/zinc/65/19/82/919651982.db2.gz TUUJTUPOQXLIHW-AWEZNQCLSA-N 1 1 310.354 -1.428 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275180 919653370 /nfs/dbraw/zinc/65/33/70/919653370.db2.gz YRCFRWRFMSYGMK-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)COc2cccnc2)C1 ZINC001368275180 919653384 /nfs/dbraw/zinc/65/33/84/919653384.db2.gz YRCFRWRFMSYGMK-NHYWBVRUSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](Oc1ccccn1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368275407 919654607 /nfs/dbraw/zinc/65/46/07/919654607.db2.gz GLWTXYIUDXSEDF-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@H](Oc1ccccn1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368275407 919654613 /nfs/dbraw/zinc/65/46/13/919654613.db2.gz GLWTXYIUDXSEDF-XHDPSFHLSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](Oc1ccccn1)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001368275383 919655555 /nfs/dbraw/zinc/65/55/55/919655555.db2.gz GLWTXYIUDXSEDF-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](Oc1ccccn1)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001368275383 919655564 /nfs/dbraw/zinc/65/55/64/919655564.db2.gz GLWTXYIUDXSEDF-ABAIWWIYSA-N 1 1 322.365 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001368276990 919658283 /nfs/dbraw/zinc/65/82/83/919658283.db2.gz PNABSACMRYVWOX-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001368276990 919658288 /nfs/dbraw/zinc/65/82/88/919658288.db2.gz PNABSACMRYVWOX-CQSZACIVSA-N 1 1 309.370 -1.428 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001368277593 919658554 /nfs/dbraw/zinc/65/85/54/919658554.db2.gz KYKRLXQTAWUTBC-IAQYHMDHSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001368277593 919658564 /nfs/dbraw/zinc/65/85/64/919658564.db2.gz KYKRLXQTAWUTBC-IAQYHMDHSA-N 1 1 323.397 -1.128 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001368277591 919659469 /nfs/dbraw/zinc/65/94/69/919659469.db2.gz RZQITKVHMGOIBG-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001368277591 919659483 /nfs/dbraw/zinc/65/94/83/919659483.db2.gz RZQITKVHMGOIBG-GFCCVEGCSA-N 1 1 308.400 -1.644 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001368278485 919659911 /nfs/dbraw/zinc/65/99/11/919659911.db2.gz QJUPXUXFYQYBGP-ZDUSSCGKSA-N 1 1 310.358 -1.660 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001368278485 919659925 /nfs/dbraw/zinc/65/99/25/919659925.db2.gz QJUPXUXFYQYBGP-ZDUSSCGKSA-N 1 1 310.358 -1.660 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001368280213 919660585 /nfs/dbraw/zinc/66/05/85/919660585.db2.gz NRJDJDLLVNUDQE-GFCCVEGCSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CNC(=O)c1ccccc1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368285995 919663932 /nfs/dbraw/zinc/66/39/32/919663932.db2.gz YQKSUMMKNUZHIO-INIZCTEOSA-N 1 1 321.377 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001368285459 919664121 /nfs/dbraw/zinc/66/41/21/919664121.db2.gz LCXZKKKYVIUVPT-HZMBPMFUSA-N 1 1 310.354 -1.672 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001368284044 919664141 /nfs/dbraw/zinc/66/41/41/919664141.db2.gz IHRZAYRLFUDODT-ZWNOBZJWSA-N 1 1 318.374 -2.395 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001368286394 919666193 /nfs/dbraw/zinc/66/61/93/919666193.db2.gz FGCADGZNRWJQGM-JTQLQIEISA-N 1 1 309.374 -2.033 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NC(N)=O)C1 ZINC001368286233 919666466 /nfs/dbraw/zinc/66/64/66/919666466.db2.gz DREAIYNIZVSHGU-SECBINFHSA-N 1 1 313.358 -2.562 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001368289268 919666731 /nfs/dbraw/zinc/66/67/31/919666731.db2.gz QPSHQPXYKIQGOJ-AWEZNQCLSA-N 1 1 319.369 -1.272 20 0 DAADMO Cn1nnc(CN2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001368286399 919667680 /nfs/dbraw/zinc/66/76/80/919667680.db2.gz FGCADGZNRWJQGM-SNVBAGLBSA-N 1 1 309.374 -2.033 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001368290110 919669708 /nfs/dbraw/zinc/66/97/08/919669708.db2.gz USIBICIPYVFCOF-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001368290110 919669718 /nfs/dbraw/zinc/66/97/18/919669718.db2.gz USIBICIPYVFCOF-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001368292216 919669942 /nfs/dbraw/zinc/66/99/42/919669942.db2.gz YLIJCXBSOOFKLC-SMDDNHRTSA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368292270 919670369 /nfs/dbraw/zinc/67/03/69/919670369.db2.gz YOEACNRPECSCOS-HIFRSBDPSA-N 1 1 315.414 -1.500 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368292270 919670382 /nfs/dbraw/zinc/67/03/82/919670382.db2.gz YOEACNRPECSCOS-HIFRSBDPSA-N 1 1 315.414 -1.500 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001368293896 919674036 /nfs/dbraw/zinc/67/40/36/919674036.db2.gz FIISGSWKFZJIHO-QWHCGFSZSA-N 1 1 314.382 -1.009 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1(O)CN(CCO)C1)CC2 ZINC001368304273 919681786 /nfs/dbraw/zinc/68/17/86/919681786.db2.gz AJARKUBZSIULED-GFCCVEGCSA-N 1 1 308.382 -1.091 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001368302890 919682935 /nfs/dbraw/zinc/68/29/35/919682935.db2.gz LVZAJGYOGXNRHU-JTQLQIEISA-N 1 1 310.354 -1.061 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001368314769 919688049 /nfs/dbraw/zinc/68/80/49/919688049.db2.gz KZFQMQSBLRNRRM-UHFFFAOYSA-N 1 1 309.370 -1.345 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001368310162 919689508 /nfs/dbraw/zinc/68/95/08/919689508.db2.gz UQLFAVYFLBQWDF-UHFFFAOYSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368320226 919694199 /nfs/dbraw/zinc/69/41/99/919694199.db2.gz YKARWLQPPGABLX-RYUDHWBXSA-N 1 1 312.414 -1.374 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001368321727 919696217 /nfs/dbraw/zinc/69/62/17/919696217.db2.gz TUWQEZSYOSBJKH-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2cn(C)nn2)C1 ZINC001368330126 919697858 /nfs/dbraw/zinc/69/78/58/919697858.db2.gz PWXKMGYMMFDRND-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001368347822 919702364 /nfs/dbraw/zinc/70/23/64/919702364.db2.gz YUIDSTIBSFTDHD-KOLCDFICSA-N 1 1 309.374 -1.327 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001368358620 919703034 /nfs/dbraw/zinc/70/30/34/919703034.db2.gz UIOOYIHKTIJOMZ-TXEJJXNPSA-N 1 1 319.427 -1.302 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368373651 919705175 /nfs/dbraw/zinc/70/51/75/919705175.db2.gz HOQRHBYGJOGFHA-JSGCOSHPSA-N 1 1 301.387 -1.164 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001368388157 919708919 /nfs/dbraw/zinc/70/89/19/919708919.db2.gz QJEICZQYZZJUDF-QJPTWQEYSA-N 1 1 323.397 -1.144 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001368389802 919709757 /nfs/dbraw/zinc/70/97/57/919709757.db2.gz AEGFJFWZAICMRF-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001368389807 919710294 /nfs/dbraw/zinc/71/02/94/919710294.db2.gz AEGFJFWZAICMRF-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cncn1C)c1nnnn1C ZINC001368400499 919713823 /nfs/dbraw/zinc/71/38/23/919713823.db2.gz TUASUKHIEZVELR-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO O=C(CCc1cnc[nH]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001368392968 919714220 /nfs/dbraw/zinc/71/42/20/919714220.db2.gz CGCBFRIKKOYXMQ-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1ccon1)c1nnnn1C ZINC001368397094 919715075 /nfs/dbraw/zinc/71/50/75/919715075.db2.gz VPZFFUMKBWPYRJ-SNVBAGLBSA-N 1 1 323.357 -1.088 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCc2nncn2C1 ZINC001368392080 919715942 /nfs/dbraw/zinc/71/59/42/919715942.db2.gz OGEQJRRJYBQACE-SWLSCSKDSA-N 1 1 323.397 -1.224 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)CC(C)(C)O)c1nnnn1C ZINC001368394859 919716027 /nfs/dbraw/zinc/71/60/27/919716027.db2.gz QUAMZZIFZASXGT-SNVBAGLBSA-N 1 1 314.390 -1.157 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001368425081 919721384 /nfs/dbraw/zinc/72/13/84/919721384.db2.gz OYYFVNRTJPFWIC-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001368430279 919721549 /nfs/dbraw/zinc/72/15/49/919721549.db2.gz WJIZMNHNRDLZQX-NSHDSACASA-N 1 1 322.431 -1.439 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001368425088 919723193 /nfs/dbraw/zinc/72/31/93/919723193.db2.gz OYYFVNRTJPFWIC-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001368465027 919728075 /nfs/dbraw/zinc/72/80/75/919728075.db2.gz UUQJVYYNLVRHHB-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001368465027 919728090 /nfs/dbraw/zinc/72/80/90/919728090.db2.gz UUQJVYYNLVRHHB-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO C[C@@H](CNC(=O)N1CC(S(N)(=O)=O)C1)C[NH+]1CCOCC1 ZINC001368470889 919728583 /nfs/dbraw/zinc/72/85/83/919728583.db2.gz QGFZRUBXLBBVBV-JTQLQIEISA-N 1 1 320.415 -1.363 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001368495376 919729279 /nfs/dbraw/zinc/72/92/79/919729279.db2.gz GTLLRNORUMFOJV-BBBLOLIVSA-N 1 1 309.374 -1.294 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)CS(C)(=O)=O)C2)n1 ZINC001368462381 919729458 /nfs/dbraw/zinc/72/94/58/919729458.db2.gz FHRJPMMBMMVQPX-AOOOYVTPSA-N 1 1 315.399 -1.156 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001368505519 919731504 /nfs/dbraw/zinc/73/15/04/919731504.db2.gz MQZLMUBFNKIIHI-ZJUUUORDSA-N 1 1 310.358 -1.322 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001368505512 919731789 /nfs/dbraw/zinc/73/17/89/919731789.db2.gz MQZLMUBFNKIIHI-UWVGGRQHSA-N 1 1 310.358 -1.322 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CCO1 ZINC001368504807 919732577 /nfs/dbraw/zinc/73/25/77/919732577.db2.gz KQXRVIUONUKNJM-SECBINFHSA-N 1 1 311.342 -1.698 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001368512789 919734959 /nfs/dbraw/zinc/73/49/59/919734959.db2.gz XZIUIPMHIYFUJA-CMPLNLGQSA-N 1 1 324.385 -1.343 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001368549371 919738953 /nfs/dbraw/zinc/73/89/53/919738953.db2.gz VDPHWTWXHTYWKB-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001368558375 919739245 /nfs/dbraw/zinc/73/92/45/919739245.db2.gz IRZMUPXZRHASNX-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001368553528 919739788 /nfs/dbraw/zinc/73/97/88/919739788.db2.gz MASUUSFKJHKDQS-UHFFFAOYSA-N 1 1 324.389 -1.371 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC2(C[NH+](CCCO)C2)O1 ZINC001368575586 919742774 /nfs/dbraw/zinc/74/27/74/919742774.db2.gz RWEPHPBLASYJHA-LLVKDONJSA-N 1 1 310.358 -1.595 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)CS(=O)(=O)NC ZINC001368568391 919745178 /nfs/dbraw/zinc/74/51/78/919745178.db2.gz PUXUVAFIDGSWIB-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001368674108 919757367 /nfs/dbraw/zinc/75/73/67/919757367.db2.gz JRXITMUWKURIDW-TZMCWYRMSA-N 1 1 315.414 -1.143 20 0 DAADMO C[C@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001368660496 919757588 /nfs/dbraw/zinc/75/75/88/919757588.db2.gz IZVCYSRNZLDGAZ-ONGXEEELSA-N 1 1 322.369 -1.026 20 0 DAADMO NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001368683541 919761435 /nfs/dbraw/zinc/76/14/35/919761435.db2.gz DVLUNAQOPPTQPG-GHMZBOCLSA-N 1 1 321.381 -1.058 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)CC)CC[N@@H+]1CC(N)=O ZINC001368683141 919762240 /nfs/dbraw/zinc/76/22/40/919762240.db2.gz MWHMUQVBFMVWMV-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)CC)CC[N@H+]1CC(N)=O ZINC001368683141 919762255 /nfs/dbraw/zinc/76/22/55/919762255.db2.gz MWHMUQVBFMVWMV-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001368686494 919763004 /nfs/dbraw/zinc/76/30/04/919763004.db2.gz HZENYXPMUNCSTM-WPRPVWTQSA-N 1 1 323.353 -1.202 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001368684426 919763595 /nfs/dbraw/zinc/76/35/95/919763595.db2.gz QRXQOYVXNDPZIS-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CC[N@H+]1CC(=O)NC(N)=O ZINC001368684426 919763606 /nfs/dbraw/zinc/76/36/06/919763606.db2.gz QRXQOYVXNDPZIS-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2C1 ZINC001368733462 919764596 /nfs/dbraw/zinc/76/45/96/919764596.db2.gz YNCVCNJQIVTCHG-WOPDTQHZSA-N 1 1 324.381 -1.002 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001368737428 919765553 /nfs/dbraw/zinc/76/55/53/919765553.db2.gz SQGRGIXSPCERSA-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001368737428 919765568 /nfs/dbraw/zinc/76/55/68/919765568.db2.gz SQGRGIXSPCERSA-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001368728766 919766063 /nfs/dbraw/zinc/76/60/63/919766063.db2.gz BQFVQHOYSGIDCV-OLZOCXBDSA-N 1 1 313.398 -1.067 20 0 DAADMO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001368721331 919766214 /nfs/dbraw/zinc/76/62/14/919766214.db2.gz WRQKBRQCDSPQJH-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001368721790 919766448 /nfs/dbraw/zinc/76/64/48/919766448.db2.gz YWPVCUKASUMYPV-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001368721790 919766455 /nfs/dbraw/zinc/76/64/55/919766455.db2.gz YWPVCUKASUMYPV-JTQLQIEISA-N 1 1 310.358 -1.801 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368739218 919766612 /nfs/dbraw/zinc/76/66/12/919766612.db2.gz VTEWVIYMFUEASX-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368739218 919766622 /nfs/dbraw/zinc/76/66/22/919766622.db2.gz VTEWVIYMFUEASX-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001368714075 919767345 /nfs/dbraw/zinc/76/73/45/919767345.db2.gz GCPSRQDUVQRHER-GFCCVEGCSA-N 1 1 324.385 -1.561 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001368714075 919767353 /nfs/dbraw/zinc/76/73/53/919767353.db2.gz GCPSRQDUVQRHER-GFCCVEGCSA-N 1 1 324.385 -1.561 20 0 DAADMO Cc1nonc1C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001368733031 919767467 /nfs/dbraw/zinc/76/74/67/919767467.db2.gz UQMSPLFCUWRFMO-SNVBAGLBSA-N 1 1 311.342 -1.238 20 0 DAADMO Cc1nonc1C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001368733031 919767482 /nfs/dbraw/zinc/76/74/82/919767482.db2.gz UQMSPLFCUWRFMO-SNVBAGLBSA-N 1 1 311.342 -1.238 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnsn2)CC1 ZINC001368758683 919768563 /nfs/dbraw/zinc/76/85/63/919768563.db2.gz GMQYSTOHNMNBMI-MRVPVSSYSA-N 1 1 313.383 -1.031 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001368790825 919772883 /nfs/dbraw/zinc/77/28/83/919772883.db2.gz WWUCMCZLABOKPN-QJPTWQEYSA-N 1 1 316.402 -1.027 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001368793466 919773380 /nfs/dbraw/zinc/77/33/80/919773380.db2.gz KCXJIBLFMXULSO-WOPDTQHZSA-N 1 1 312.374 -1.351 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)c2ncn[nH]2)CC1 ZINC001368769796 919773522 /nfs/dbraw/zinc/77/35/22/919773522.db2.gz KHGOCBCVVCKXND-SNVBAGLBSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 ZINC001368769796 919773534 /nfs/dbraw/zinc/77/35/34/919773534.db2.gz KHGOCBCVVCKXND-SNVBAGLBSA-N 1 1 313.358 -1.631 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797595 919774006 /nfs/dbraw/zinc/77/40/06/919774006.db2.gz ORYWDJYVZJPCBS-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797595 919774015 /nfs/dbraw/zinc/77/40/15/919774015.db2.gz ORYWDJYVZJPCBS-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797597 919774138 /nfs/dbraw/zinc/77/41/38/919774138.db2.gz ORYWDJYVZJPCBS-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797597 919774150 /nfs/dbraw/zinc/77/41/50/919774150.db2.gz ORYWDJYVZJPCBS-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)CCF ZINC001368791150 919774597 /nfs/dbraw/zinc/77/45/97/919774597.db2.gz BAMAHAXYZSAJAN-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCF ZINC001368791150 919774604 /nfs/dbraw/zinc/77/46/04/919774604.db2.gz BAMAHAXYZSAJAN-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CS(=O)(=O)NC ZINC001368803765 919774766 /nfs/dbraw/zinc/77/47/66/919774766.db2.gz KFSCCYFAVAVGRQ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CS(=O)(=O)NC ZINC001368803765 919774778 /nfs/dbraw/zinc/77/47/78/919774778.db2.gz KFSCCYFAVAVGRQ-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CS(=O)(=O)NC ZINC001368803759 919775761 /nfs/dbraw/zinc/77/57/61/919775761.db2.gz KFSCCYFAVAVGRQ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CS(=O)(=O)NC ZINC001368803759 919775772 /nfs/dbraw/zinc/77/57/72/919775772.db2.gz KFSCCYFAVAVGRQ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368811907 919776814 /nfs/dbraw/zinc/77/68/14/919776814.db2.gz TVCGEAVWYOELFD-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC001368812846 919777124 /nfs/dbraw/zinc/77/71/24/919777124.db2.gz YNYOWBAPNWLJND-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCNC(=O)NC ZINC001368807008 919777702 /nfs/dbraw/zinc/77/77/02/919777702.db2.gz LTMILCYJARMECX-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCNC(=O)NC ZINC001368807008 919777713 /nfs/dbraw/zinc/77/77/13/919777713.db2.gz LTMILCYJARMECX-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001368861435 919781518 /nfs/dbraw/zinc/78/15/18/919781518.db2.gz VZNOYTJRLTUFTI-VHSXEESVSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)[NH2+]Cc1nncn1C ZINC001368857074 919782433 /nfs/dbraw/zinc/78/24/33/919782433.db2.gz BLICCVCHMUXZAS-WDEREUQCSA-N 1 1 323.401 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001368928647 919785232 /nfs/dbraw/zinc/78/52/32/919785232.db2.gz FSEKNDDQIVDURV-NXEZZACHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(CCO)CC(N)=O)CC1 ZINC001368909003 919785312 /nfs/dbraw/zinc/78/53/12/919785312.db2.gz YDIIPSQEVJBZTP-ZDUSSCGKSA-N 1 1 312.414 -1.149 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(N(CCO)CC(N)=O)CC1 ZINC001368909003 919785325 /nfs/dbraw/zinc/78/53/25/919785325.db2.gz YDIIPSQEVJBZTP-ZDUSSCGKSA-N 1 1 312.414 -1.149 20 0 DAADMO C[C@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001368928663 919786968 /nfs/dbraw/zinc/78/69/68/919786968.db2.gz FSEKNDDQIVDURV-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cnon2)c(=O)n1C ZINC001368898715 919787310 /nfs/dbraw/zinc/78/73/10/919787310.db2.gz OPASRALTEVTYNR-DTWKUNHWSA-N 1 1 323.357 -1.044 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001368944556 919789322 /nfs/dbraw/zinc/78/93/22/919789322.db2.gz YGESTFUUPBMEPZ-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001368944556 919789335 /nfs/dbraw/zinc/78/93/35/919789335.db2.gz YGESTFUUPBMEPZ-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001368944586 919789465 /nfs/dbraw/zinc/78/94/65/919789465.db2.gz YGESTFUUPBMEPZ-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001368944586 919789482 /nfs/dbraw/zinc/78/94/82/919789482.db2.gz YGESTFUUPBMEPZ-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@H+](C)CC(=O)NC(N)=O ZINC001368967392 919790702 /nfs/dbraw/zinc/79/07/02/919790702.db2.gz WKYDFNPPFJEUIG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001368967392 919790715 /nfs/dbraw/zinc/79/07/15/919790715.db2.gz WKYDFNPPFJEUIG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001368936989 919791206 /nfs/dbraw/zinc/79/12/06/919791206.db2.gz ARXGFMPYFYOQBM-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001368936989 919791219 /nfs/dbraw/zinc/79/12/19/919791219.db2.gz ARXGFMPYFYOQBM-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001368943262 919791936 /nfs/dbraw/zinc/79/19/36/919791936.db2.gz PGCGUQKXOILZGS-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@@H+](C)CCCO ZINC001368964224 919791992 /nfs/dbraw/zinc/79/19/92/919791992.db2.gz UHEUIORPBOITFM-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001368953796 919792588 /nfs/dbraw/zinc/79/25/88/919792588.db2.gz FSSFYARXOWNDQZ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001368953796 919792600 /nfs/dbraw/zinc/79/26/00/919792600.db2.gz FSSFYARXOWNDQZ-LLVKDONJSA-N 1 1 321.381 -1.006 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001368961621 919792928 /nfs/dbraw/zinc/79/29/28/919792928.db2.gz OCGVACCQLURLQX-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CC1CS(=O)(=O)C1 ZINC001368961621 919792953 /nfs/dbraw/zinc/79/29/53/919792953.db2.gz OCGVACCQLURLQX-PWSUYJOCSA-N 1 1 322.427 -1.135 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368998715 919795156 /nfs/dbraw/zinc/79/51/56/919795156.db2.gz IJPBKUTZTOLAKD-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368998715 919795166 /nfs/dbraw/zinc/79/51/66/919795166.db2.gz IJPBKUTZTOLAKD-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001368993600 919795726 /nfs/dbraw/zinc/79/57/26/919795726.db2.gz FWMNBEOKFBPUIX-MNOVXSKESA-N 1 1 312.370 -1.162 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)[N@H+](C)CCNS(C)(=O)=O ZINC001368988032 919796423 /nfs/dbraw/zinc/79/64/23/919796423.db2.gz YDPBVRNADXBSTN-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001368988032 919796433 /nfs/dbraw/zinc/79/64/33/919796433.db2.gz YDPBVRNADXBSTN-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](CC[C@H]2CCCO2)C1 ZINC001369015491 919799070 /nfs/dbraw/zinc/79/90/70/919799070.db2.gz WVBYHCRTCCXWPK-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CCF)C1)C(N)=O ZINC001369085076 919811920 /nfs/dbraw/zinc/81/19/20/919811920.db2.gz BLHOTAOITPVMAL-KWQFWETISA-N 1 1 302.350 -1.228 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001369085293 919812070 /nfs/dbraw/zinc/81/20/70/919812070.db2.gz FDHJTPAIXHRTAJ-ONGXEEELSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001369080284 919812627 /nfs/dbraw/zinc/81/26/27/919812627.db2.gz ZXZVWSNDDVHATK-SECBINFHSA-N 1 1 307.358 -1.612 20 0 DAADMO CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001369075091 919812760 /nfs/dbraw/zinc/81/27/60/919812760.db2.gz NECBZNKJYNMCEM-JTQLQIEISA-N 1 1 321.381 -1.034 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001369105907 919814623 /nfs/dbraw/zinc/81/46/23/919814623.db2.gz DFFTVJJNCUTSPR-MNOVXSKESA-N 1 1 312.374 -1.493 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001369105912 919815509 /nfs/dbraw/zinc/81/55/09/919815509.db2.gz DFFTVJJNCUTSPR-QWRGUYRKSA-N 1 1 312.374 -1.493 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001369105844 919815746 /nfs/dbraw/zinc/81/57/46/919815746.db2.gz DFFTVJJNCUTSPR-GHMZBOCLSA-N 1 1 312.374 -1.493 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC001369116777 919817411 /nfs/dbraw/zinc/81/74/11/919817411.db2.gz UEPXNLMELZUYFP-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC001369116777 919817430 /nfs/dbraw/zinc/81/74/30/919817430.db2.gz UEPXNLMELZUYFP-HNNXBMFYSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001369119948 919817949 /nfs/dbraw/zinc/81/79/49/919817949.db2.gz FGUKDMORWQMHSV-KKOKHZNYSA-N 1 1 322.365 -1.376 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001369130551 919819001 /nfs/dbraw/zinc/81/90/01/919819001.db2.gz JPPQOYIWSVZAJV-RTCCRHLQSA-N 1 1 310.354 -2.376 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001369123491 919819178 /nfs/dbraw/zinc/81/91/78/919819178.db2.gz LOGJLYJAZGPKLD-KKOKHZNYSA-N 1 1 321.385 -1.556 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC001369134698 919819925 /nfs/dbraw/zinc/81/99/25/919819925.db2.gz NJSIBBFXSSJQCD-KKOKHZNYSA-N 1 1 309.370 -1.270 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001369138789 919820072 /nfs/dbraw/zinc/82/00/72/919820072.db2.gz OLGIWDZHXBDGDE-XWLWVQCSSA-N 1 1 310.358 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001369138030 919820129 /nfs/dbraw/zinc/82/01/29/919820129.db2.gz WSDRUQUMRWKNQH-CNDDSTCGSA-N 1 1 319.427 -1.134 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001369138126 919820555 /nfs/dbraw/zinc/82/05/55/919820555.db2.gz SPKJATYJCPJOBY-FIQHERPVSA-N 1 1 321.385 -1.556 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001369144480 919821058 /nfs/dbraw/zinc/82/10/58/919821058.db2.gz CDCSUWJORGCMCZ-PSASIEDQSA-N 1 1 310.358 -1.322 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001369148615 919822492 /nfs/dbraw/zinc/82/24/92/919822492.db2.gz QDZNLEJYPIHZSF-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001369148615 919822511 /nfs/dbraw/zinc/82/25/11/919822511.db2.gz QDZNLEJYPIHZSF-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001369163714 919823045 /nfs/dbraw/zinc/82/30/45/919823045.db2.gz OXRCEFGBORRBSY-NWBUJAPZSA-N 1 1 311.382 -1.434 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001369150654 919823965 /nfs/dbraw/zinc/82/39/65/919823965.db2.gz CDMPJTMASAADLB-YFKTTZPYSA-N 1 1 323.397 -1.383 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001369185913 919826024 /nfs/dbraw/zinc/82/60/24/919826024.db2.gz VBANCZZINHFAJW-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)NCCC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC001369184451 919826418 /nfs/dbraw/zinc/82/64/18/919826418.db2.gz RWJGFFWWZBLNNQ-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001369178131 919827165 /nfs/dbraw/zinc/82/71/65/919827165.db2.gz HOPBDWUYFTVHIZ-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001369166967 919828000 /nfs/dbraw/zinc/82/80/00/919828000.db2.gz XJIIXIFTHOWCGA-CNDDSTCGSA-N 1 1 306.370 -1.340 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001369181953 919828124 /nfs/dbraw/zinc/82/81/24/919828124.db2.gz AXHDZEWGWPQCNG-LBPRGKRZSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001369210561 919830331 /nfs/dbraw/zinc/83/03/31/919830331.db2.gz VIAQJLLYDCYSFX-SNVBAGLBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C)NC(N)=O ZINC001369234364 919831194 /nfs/dbraw/zinc/83/11/94/919831194.db2.gz BTCNKPUDPIJVTI-IUCAKERBSA-N 1 1 312.378 -1.407 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001369253765 919834387 /nfs/dbraw/zinc/83/43/87/919834387.db2.gz QLHJQCSMXOKCFB-VIFPVBQESA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001369268013 919835027 /nfs/dbraw/zinc/83/50/27/919835027.db2.gz CVWHEADUTHBMDB-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO Cc1cc(NC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)F)n(C)n1 ZINC001369290544 919837608 /nfs/dbraw/zinc/83/76/08/919837608.db2.gz ATEJBGZXWRYNIE-QMMMGPOBSA-N 1 1 319.312 -1.001 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(F)F)Nc1nncs1 ZINC001369294748 919837961 /nfs/dbraw/zinc/83/79/61/919837961.db2.gz ISWDRSBUQPPCBX-RXMQYKEDSA-N 1 1 309.298 -1.192 20 0 DAADMO C[C@@H](CN(C)C(=O)CCNC(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001369284995 919839467 /nfs/dbraw/zinc/83/94/67/919839467.db2.gz BPXFVXZXUBYAKD-IUCAKERBSA-N 1 1 312.378 -1.234 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CNC(=O)C2CC2)n1 ZINC001369303353 919839888 /nfs/dbraw/zinc/83/98/88/919839888.db2.gz DTVOLQKHZDHWNZ-GFCCVEGCSA-N 1 1 309.370 -1.487 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001369306437 919842281 /nfs/dbraw/zinc/84/22/81/919842281.db2.gz JGUOGDVQFMIOAA-NSHDSACASA-N 1 1 311.342 -1.812 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1COCCO1 ZINC001369305578 919842729 /nfs/dbraw/zinc/84/27/29/919842729.db2.gz IOFXIIJNGBLFHW-GXTWGEPZSA-N 1 1 324.381 -1.189 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001369309861 919845300 /nfs/dbraw/zinc/84/53/00/919845300.db2.gz JTBMZTQLUYZCBI-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001369313078 919845943 /nfs/dbraw/zinc/84/59/43/919845943.db2.gz NXRUXZPIBGJELL-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001369313078 919845953 /nfs/dbraw/zinc/84/59/53/919845953.db2.gz NXRUXZPIBGJELL-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001369314522 919849432 /nfs/dbraw/zinc/84/94/32/919849432.db2.gz RZKQQNLUECOUQE-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001369314522 919849445 /nfs/dbraw/zinc/84/94/45/919849445.db2.gz RZKQQNLUECOUQE-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001369316108 919850638 /nfs/dbraw/zinc/85/06/38/919850638.db2.gz UKBZFZDOGYFBKA-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001369320015 919854040 /nfs/dbraw/zinc/85/40/40/919854040.db2.gz BDQXLBFEUMNBKU-JHJVBQTASA-N 1 1 312.414 -1.374 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001369320015 919854058 /nfs/dbraw/zinc/85/40/58/919854058.db2.gz BDQXLBFEUMNBKU-JHJVBQTASA-N 1 1 312.414 -1.374 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn2c(n1)CCC2 ZINC001369320727 919854949 /nfs/dbraw/zinc/85/49/49/919854949.db2.gz CUBPSNVYCYYJBW-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)n1cncn1 ZINC001369324115 919855907 /nfs/dbraw/zinc/85/59/07/919855907.db2.gz RZKOFJGGOAYZPR-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO CC[C@H](N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369325060 919856136 /nfs/dbraw/zinc/85/61/36/919856136.db2.gz QMJCJUZZVOPVKW-MNOVXSKESA-N 1 1 300.403 -1.199 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369323067 919857462 /nfs/dbraw/zinc/85/74/62/919857462.db2.gz TWTJMEPJVZQNHQ-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001369328584 919860401 /nfs/dbraw/zinc/86/04/01/919860401.db2.gz YOJXZPHHCIMMNP-JTQLQIEISA-N 1 1 320.353 -1.111 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]Cc2ccn(C)n2)o1 ZINC001369330717 919863239 /nfs/dbraw/zinc/86/32/39/919863239.db2.gz KATYBFMELAHSFX-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)NC(N)=O ZINC001369331061 919864634 /nfs/dbraw/zinc/86/46/34/919864634.db2.gz DWZNQYDXHUZYEJ-NXEZZACHSA-N 1 1 312.374 -1.566 20 0 DAADMO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)NC(N)=O ZINC001369331065 919865143 /nfs/dbraw/zinc/86/51/43/919865143.db2.gz DWZNQYDXHUZYEJ-VHSXEESVSA-N 1 1 312.374 -1.566 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001369330928 919865494 /nfs/dbraw/zinc/86/54/94/919865494.db2.gz KZFVLYPNOUFBCJ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)c1N ZINC001369332373 919867111 /nfs/dbraw/zinc/86/71/11/919867111.db2.gz ZVJUFJPRMUAAER-ZETCQYMHSA-N 1 1 311.371 -1.266 20 0 DAADMO CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)NCC(N)=O ZINC001369332808 919868752 /nfs/dbraw/zinc/86/87/52/919868752.db2.gz PSXQUVXWAMORRH-NSHDSACASA-N 1 1 316.402 -2.103 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001369333978 919869071 /nfs/dbraw/zinc/86/90/71/919869071.db2.gz HFQACRGEDLFZAI-DGCLKSJQSA-N 1 1 323.397 -1.145 20 0 DAADMO C[C@@H](C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001369337787 919873990 /nfs/dbraw/zinc/87/39/90/919873990.db2.gz FHKZRMYMPGBDFO-DTWKUNHWSA-N 1 1 319.387 -1.834 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001369338140 919876368 /nfs/dbraw/zinc/87/63/68/919876368.db2.gz FVADMJXXLLXAET-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO C[C@H](C[NH2+][C@@H](CO)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001369337805 919876591 /nfs/dbraw/zinc/87/65/91/919876591.db2.gz FHKZRMYMPGBDFO-RKDXNWHRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@H](C[NH2+][C@H](CO)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001369337777 919876741 /nfs/dbraw/zinc/87/67/41/919876741.db2.gz FHKZRMYMPGBDFO-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369342409 919879779 /nfs/dbraw/zinc/87/97/79/919879779.db2.gz TXLPOSGFJRRSME-OLZOCXBDSA-N 1 1 310.402 -1.171 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001369349188 919886737 /nfs/dbraw/zinc/88/67/37/919886737.db2.gz DSQSXXPEMGQZOK-GHMZBOCLSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1cn(C)nn1 ZINC001369347900 919888487 /nfs/dbraw/zinc/88/84/87/919888487.db2.gz XNYRWHNFIZUOGY-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369349204 919888623 /nfs/dbraw/zinc/88/86/23/919888623.db2.gz DSQSXXPEMGQZOK-MNOVXSKESA-N 1 1 311.342 -1.427 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001369353532 919889527 /nfs/dbraw/zinc/88/95/27/919889527.db2.gz WAMZUCYUAARZNX-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001369350331 919890175 /nfs/dbraw/zinc/89/01/75/919890175.db2.gz YFAQFURCPDPJST-SSDOTTSWSA-N 1 1 302.360 -1.966 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1)c1cnccn1 ZINC001369356789 919893934 /nfs/dbraw/zinc/89/39/34/919893934.db2.gz XAKHFLRCAOOGGC-RKDXNWHRSA-N 1 1 306.330 -1.558 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001369360505 919894779 /nfs/dbraw/zinc/89/47/79/919894779.db2.gz IALPYPOYZCLNMX-IINYFYTJSA-N 1 1 318.393 -1.249 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001369360505 919894794 /nfs/dbraw/zinc/89/47/94/919894794.db2.gz IALPYPOYZCLNMX-IINYFYTJSA-N 1 1 318.393 -1.249 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)cn1 ZINC001369357037 919894922 /nfs/dbraw/zinc/89/49/22/919894922.db2.gz ZEHDYFYGIKSKIZ-RYUDHWBXSA-N 1 1 322.369 -1.625 20 0 DAADMO Cn1[nH]c(CN[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001369356856 919895186 /nfs/dbraw/zinc/89/51/86/919895186.db2.gz XKDXPMWSTHCDJO-NXEZZACHSA-N 1 1 312.374 -2.231 20 0 DAADMO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001369360507 919896016 /nfs/dbraw/zinc/89/60/16/919896016.db2.gz IALPYPOYZCLNMX-QMTHXVAHSA-N 1 1 318.393 -1.249 20 0 DAADMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001369360507 919896022 /nfs/dbraw/zinc/89/60/22/919896022.db2.gz IALPYPOYZCLNMX-QMTHXVAHSA-N 1 1 318.393 -1.249 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001369360729 919900619 /nfs/dbraw/zinc/90/06/19/919900619.db2.gz HSISXCCWXUQMMT-VIFPVBQESA-N 1 1 311.371 -1.213 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001369368020 919903454 /nfs/dbraw/zinc/90/34/54/919903454.db2.gz WNEXYOBIRHNLGE-MDZLAQPJSA-N 1 1 323.397 -1.112 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@H](C)C(=O)N(C)C ZINC001369370778 919907792 /nfs/dbraw/zinc/90/77/92/919907792.db2.gz FIJCZCZESPBWAU-VXGBXAGGSA-N 1 1 302.419 -1.130 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H](C)C(=O)N(C)C ZINC001369370778 919907804 /nfs/dbraw/zinc/90/78/04/919907804.db2.gz FIJCZCZESPBWAU-VXGBXAGGSA-N 1 1 302.419 -1.130 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nccn2C)nn1 ZINC001369369724 919908184 /nfs/dbraw/zinc/90/81/84/919908184.db2.gz HDJYGHOXRWNSKJ-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001369378186 919913669 /nfs/dbraw/zinc/91/36/69/919913669.db2.gz YATBUGBYQSNFBM-NSHDSACASA-N 1 1 323.353 -1.099 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369382567 919914601 /nfs/dbraw/zinc/91/46/01/919914601.db2.gz RYCBWSPCTIIFGO-MNOVXSKESA-N 1 1 324.385 -1.670 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001369405847 919922522 /nfs/dbraw/zinc/92/25/22/919922522.db2.gz RWGOIGHISWRTKA-RKDXNWHRSA-N 1 1 310.362 -1.782 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)CCC[N@H+]1CCO ZINC001369421941 919923579 /nfs/dbraw/zinc/92/35/79/919923579.db2.gz DMXUJLIAEUCCQS-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001369405809 919924005 /nfs/dbraw/zinc/92/40/05/919924005.db2.gz RWGOIGHISWRTKA-BDAKNGLRSA-N 1 1 310.362 -1.782 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001369434461 919925517 /nfs/dbraw/zinc/92/55/17/919925517.db2.gz PPFZKAZUZGTLEF-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001369434461 919925531 /nfs/dbraw/zinc/92/55/31/919925531.db2.gz PPFZKAZUZGTLEF-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001369434454 919925831 /nfs/dbraw/zinc/92/58/31/919925831.db2.gz PPFZKAZUZGTLEF-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001369434454 919925842 /nfs/dbraw/zinc/92/58/42/919925842.db2.gz PPFZKAZUZGTLEF-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ccon1 ZINC001369451763 919929087 /nfs/dbraw/zinc/92/90/87/919929087.db2.gz QRPQLZSTXOQHQA-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001369450857 919929296 /nfs/dbraw/zinc/92/92/96/919929296.db2.gz CJFLIAPUDBSMSN-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)N1 ZINC001369446072 919929652 /nfs/dbraw/zinc/92/96/52/919929652.db2.gz AHQBZOPGDZIBNN-WDEREUQCSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cc[nH]n1 ZINC001369449058 919931426 /nfs/dbraw/zinc/93/14/26/919931426.db2.gz JBWFDUNOYYYEST-SNVBAGLBSA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cn[nH]c1 ZINC001369449775 919931472 /nfs/dbraw/zinc/93/14/72/919931472.db2.gz ODBFLORAZZWCHW-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)c2C)[nH]1 ZINC001369454836 919932818 /nfs/dbraw/zinc/93/28/18/919932818.db2.gz YCLVDWKSJJBEAO-JTQLQIEISA-N 1 1 322.373 -1.227 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnccn1 ZINC001369455817 919933589 /nfs/dbraw/zinc/93/35/89/919933589.db2.gz RCMAFAVYVPBHMW-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001369454097 919934306 /nfs/dbraw/zinc/93/43/06/919934306.db2.gz XCIPZULCMCQANT-LLVKDONJSA-N 1 1 312.374 -1.500 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)c2C)[nH]1 ZINC001369454840 919934805 /nfs/dbraw/zinc/93/48/05/919934805.db2.gz YCLVDWKSJJBEAO-SNVBAGLBSA-N 1 1 322.373 -1.227 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001369452628 919935190 /nfs/dbraw/zinc/93/51/90/919935190.db2.gz GKRHUXPZRJVLGH-SECBINFHSA-N 1 1 301.303 -1.666 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cnn(C)c1N ZINC001369457971 919937910 /nfs/dbraw/zinc/93/79/10/919937910.db2.gz UWZXHUFQKDVGPL-SECBINFHSA-N 1 1 309.330 -1.392 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)CCc1nc[nH]n1 ZINC001369457945 919938141 /nfs/dbraw/zinc/93/81/41/919938141.db2.gz FTLKDBUWMDNAQN-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnnn2C)n1 ZINC001369456187 919938239 /nfs/dbraw/zinc/93/82/39/919938239.db2.gz OCNZHSYGVIMSKD-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)no1 ZINC001369456662 919938284 /nfs/dbraw/zinc/93/82/84/919938284.db2.gz QEBZMXVRKNKDAX-ONGXEEELSA-N 1 1 313.358 -1.051 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C2=COCCO2)[nH]1 ZINC001369457803 919938318 /nfs/dbraw/zinc/93/83/18/919938318.db2.gz XZVUDCIQTJMUAP-JTQLQIEISA-N 1 1 311.342 -1.090 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369463074 919940212 /nfs/dbraw/zinc/94/02/12/919940212.db2.gz ZVROQVYBTWTFFM-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)[nH]1 ZINC001369460747 919941003 /nfs/dbraw/zinc/94/10/03/919941003.db2.gz MYQLUNUAXDYLSD-VIFPVBQESA-N 1 1 323.361 -2.212 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)nn1 ZINC001369464322 919942524 /nfs/dbraw/zinc/94/25/24/919942524.db2.gz CWBGVYHSAQYAIG-JTQLQIEISA-N 1 1 320.357 -1.469 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)nn1 ZINC001369464325 919942637 /nfs/dbraw/zinc/94/26/37/919942637.db2.gz CWBGVYHSAQYAIG-SNVBAGLBSA-N 1 1 320.357 -1.469 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001369460011 919942806 /nfs/dbraw/zinc/94/28/06/919942806.db2.gz ICTDUCLOEFHWKZ-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCCO1 ZINC001369462599 919943030 /nfs/dbraw/zinc/94/30/30/919943030.db2.gz RWMDKBBNISONIO-WDEREUQCSA-N 1 1 312.374 -1.312 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001369468273 919945417 /nfs/dbraw/zinc/94/54/17/919945417.db2.gz JUQDNQJDWRXACG-ZJUUUORDSA-N 1 1 320.357 -1.216 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCC2CS(=O)(=O)C2)C1 ZINC001369465359 919945889 /nfs/dbraw/zinc/94/58/89/919945889.db2.gz VLLCXWWQGPFPGX-GFCCVEGCSA-N 1 1 305.400 -1.213 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CO[C@H]1CCOC1 ZINC001369466511 919946648 /nfs/dbraw/zinc/94/66/48/919946648.db2.gz JRXAQMUIYYNKRF-NEPJUHHUSA-N 1 1 314.342 -1.216 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn[nH]n2)n1 ZINC001369470303 919947991 /nfs/dbraw/zinc/94/79/91/919947991.db2.gz FCZFFTNOLTWXDD-JTQLQIEISA-N 1 1 322.373 -1.053 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C ZINC001369470140 919948024 /nfs/dbraw/zinc/94/80/24/919948024.db2.gz NFZPRQTZBRZKCN-IHRRRGAJSA-N 1 1 317.430 -1.113 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cnoc1)c1nnnn1C ZINC001369474024 919949776 /nfs/dbraw/zinc/94/97/76/919949776.db2.gz VXXXMUIJTOJWNN-ONGXEEELSA-N 1 1 323.357 -1.089 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnon2)n1 ZINC001369472325 919950029 /nfs/dbraw/zinc/95/00/29/919950029.db2.gz QBHYQDHZTKYGQW-JTQLQIEISA-N 1 1 309.330 -1.096 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)o1 ZINC001369480724 919952035 /nfs/dbraw/zinc/95/20/35/919952035.db2.gz DVWHRQAPYHADJK-VHSXEESVSA-N 1 1 311.342 -1.427 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)NC1 ZINC001369480342 919954973 /nfs/dbraw/zinc/95/49/73/919954973.db2.gz YTZBDXBVFJSYDZ-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001369480818 919956140 /nfs/dbraw/zinc/95/61/40/919956140.db2.gz GALPSRHILKNRGP-UWVGGRQHSA-N 1 1 316.358 -1.845 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH]cn1 ZINC001369489981 919960788 /nfs/dbraw/zinc/96/07/88/919960788.db2.gz YMRYKLODOLDLHO-MNOVXSKESA-N 1 1 323.397 -1.015 20 0 DAADMO CN(C[C@H](O)CNCc1ncnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369489301 919962701 /nfs/dbraw/zinc/96/27/01/919962701.db2.gz ZNJRTWUZKPPOCD-NWDGAFQWSA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)Cn1ccnc1 ZINC001369489738 919962993 /nfs/dbraw/zinc/96/29/93/919962993.db2.gz MQTGQFDWLXZHLX-NSHDSACASA-N 1 1 307.358 -1.379 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001369499021 919964286 /nfs/dbraw/zinc/96/42/86/919964286.db2.gz QBMSWVRTEOCNOH-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498615 919964907 /nfs/dbraw/zinc/96/49/07/919964907.db2.gz PBALEIWXLVBFMO-PWSUYJOCSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498615 919964918 /nfs/dbraw/zinc/96/49/18/919964918.db2.gz PBALEIWXLVBFMO-PWSUYJOCSA-N 1 1 311.386 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498424 919965572 /nfs/dbraw/zinc/96/55/72/919965572.db2.gz YEHIBVYOQJKBBU-MNOVXSKESA-N 1 1 317.386 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001369498424 919965588 /nfs/dbraw/zinc/96/55/88/919965588.db2.gz YEHIBVYOQJKBBU-MNOVXSKESA-N 1 1 317.386 -1.236 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001369494931 919965679 /nfs/dbraw/zinc/96/56/79/919965679.db2.gz KPHSBYCPVAWWSU-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001369494926 919965804 /nfs/dbraw/zinc/96/58/04/919965804.db2.gz KPHSBYCPVAWWSU-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001369494928 919965857 /nfs/dbraw/zinc/96/58/57/919965857.db2.gz KPHSBYCPVAWWSU-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1cc[nH]n1 ZINC001369499144 919967148 /nfs/dbraw/zinc/96/71/48/919967148.db2.gz QJIUOAIEKIAGBO-CHWSQXEVSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499144 919967161 /nfs/dbraw/zinc/96/71/61/919967161.db2.gz QJIUOAIEKIAGBO-CHWSQXEVSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001369499144 919967165 /nfs/dbraw/zinc/96/71/65/919967165.db2.gz QJIUOAIEKIAGBO-CHWSQXEVSA-N 1 1 323.397 -1.066 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CC1OCCCO1 ZINC001369497502 919967662 /nfs/dbraw/zinc/96/76/62/919967662.db2.gz UPSYSDPHKZWFAD-SNVBAGLBSA-N 1 1 303.359 -1.624 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC1OCCCO1 ZINC001369497502 919967671 /nfs/dbraw/zinc/96/76/71/919967671.db2.gz UPSYSDPHKZWFAD-SNVBAGLBSA-N 1 1 303.359 -1.624 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493918 919967894 /nfs/dbraw/zinc/96/78/94/919967894.db2.gz KEKNEEIZSUPXKH-MNOVXSKESA-N 1 1 315.370 -1.240 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001369493918 919967905 /nfs/dbraw/zinc/96/79/05/919967905.db2.gz KEKNEEIZSUPXKH-MNOVXSKESA-N 1 1 315.370 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N1 ZINC001369491749 919968200 /nfs/dbraw/zinc/96/82/00/919968200.db2.gz AYZOACHZMKSNPA-CHWSQXEVSA-N 1 1 323.397 -1.050 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1 ZINC001369491201 919968591 /nfs/dbraw/zinc/96/85/91/919968591.db2.gz RPCYSNDLEMKNEI-SNVBAGLBSA-N 1 1 320.371 -1.867 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001369506472 919970082 /nfs/dbraw/zinc/97/00/82/919970082.db2.gz LMAUCBQZJBGHPS-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369500893 919970150 /nfs/dbraw/zinc/97/01/50/919970150.db2.gz GRISIDRQDHZVPF-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001369504575 919971755 /nfs/dbraw/zinc/97/17/55/919971755.db2.gz GPIVIQPRUAFNMP-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001369504575 919971765 /nfs/dbraw/zinc/97/17/65/919971765.db2.gz GPIVIQPRUAFNMP-GHMZBOCLSA-N 1 1 314.386 -1.861 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369506193 919974091 /nfs/dbraw/zinc/97/40/91/919974091.db2.gz PGJUANDORMNSOG-STQMWFEESA-N 1 1 314.430 -1.175 20 0 DAADMO CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001369505004 919974390 /nfs/dbraw/zinc/97/43/90/919974390.db2.gz PMLJPAUGWQTOIS-NEPJUHHUSA-N 1 1 300.403 -1.293 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369505967 919974643 /nfs/dbraw/zinc/97/46/43/919974643.db2.gz OOQRQVTXKWIAPK-GFCCVEGCSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369505967 919974654 /nfs/dbraw/zinc/97/46/54/919974654.db2.gz OOQRQVTXKWIAPK-GFCCVEGCSA-N 1 1 309.370 -1.023 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001369502927 919974723 /nfs/dbraw/zinc/97/47/23/919974723.db2.gz FDGYBMDQJZFJQH-VHSXEESVSA-N 1 1 312.374 -1.556 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCCF ZINC001369500215 919974858 /nfs/dbraw/zinc/97/48/58/919974858.db2.gz FBDAUXFFUZIGRU-JTQLQIEISA-N 1 1 320.365 -1.057 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCF ZINC001369500215 919974868 /nfs/dbraw/zinc/97/48/68/919974868.db2.gz FBDAUXFFUZIGRU-JTQLQIEISA-N 1 1 320.365 -1.057 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512828 919976371 /nfs/dbraw/zinc/97/63/71/919976371.db2.gz YADYDGOMSVBXEQ-KOLCDFICSA-N 1 1 308.400 -1.837 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001369512828 919976382 /nfs/dbraw/zinc/97/63/82/919976382.db2.gz YADYDGOMSVBXEQ-KOLCDFICSA-N 1 1 308.400 -1.837 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001369510936 919976691 /nfs/dbraw/zinc/97/66/91/919976691.db2.gz UPQCXLHHRXBUHB-WPRPVWTQSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)[nH]1 ZINC001369510936 919976706 /nfs/dbraw/zinc/97/67/06/919976706.db2.gz UPQCXLHHRXBUHB-WPRPVWTQSA-N 1 1 312.374 -1.719 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369510825 919977307 /nfs/dbraw/zinc/97/73/07/919977307.db2.gz BPFLKEOXLUODSO-NXEZZACHSA-N 1 1 301.347 -1.823 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2nccn2c1 ZINC001369509579 919977354 /nfs/dbraw/zinc/97/73/54/919977354.db2.gz XLZZKBIRGXLZLM-NSHDSACASA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2nccn2c1 ZINC001369509579 919977365 /nfs/dbraw/zinc/97/73/65/919977365.db2.gz XLZZKBIRGXLZLM-NSHDSACASA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCOCC1=O ZINC001369514057 919977472 /nfs/dbraw/zinc/97/74/72/919977472.db2.gz VLYNXNVEWWNUPM-LLVKDONJSA-N 1 1 303.359 -2.411 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001369513884 919977652 /nfs/dbraw/zinc/97/76/52/919977652.db2.gz KKOOLGYEDWJGEA-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001369513884 919977664 /nfs/dbraw/zinc/97/76/64/919977664.db2.gz KKOOLGYEDWJGEA-QWRGUYRKSA-N 1 1 310.416 -1.447 20 0 DAADMO COc1cncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001369513494 919977880 /nfs/dbraw/zinc/97/78/80/919977880.db2.gz BZOQFUGTSZPEBI-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO COc1cncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001369513494 919977891 /nfs/dbraw/zinc/97/78/91/919977891.db2.gz BZOQFUGTSZPEBI-VIFPVBQESA-N 1 1 311.342 -1.665 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n1 ZINC001369511727 919978482 /nfs/dbraw/zinc/97/84/82/919978482.db2.gz VGUHNBWGLLZZRX-JQWIXIFHSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001369510603 919978527 /nfs/dbraw/zinc/97/85/27/919978527.db2.gz RYJGVSAYFOVCAY-SECBINFHSA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccn2nnnc12 ZINC001369510603 919978536 /nfs/dbraw/zinc/97/85/36/919978536.db2.gz RYJGVSAYFOVCAY-SECBINFHSA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn(C)c1Cl ZINC001369510175 919979098 /nfs/dbraw/zinc/97/90/98/919979098.db2.gz OPPFHLOPLDYZHD-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn(C)c1Cl ZINC001369510175 919979110 /nfs/dbraw/zinc/97/91/10/919979110.db2.gz OPPFHLOPLDYZHD-MRVPVSSYSA-N 1 1 317.777 -1.077 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)[nH]1 ZINC001369510859 919979254 /nfs/dbraw/zinc/97/92/54/919979254.db2.gz UFUFQKMFRMIKFR-MNOVXSKESA-N 1 1 324.385 -1.705 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001369510242 919979287 /nfs/dbraw/zinc/97/92/87/919979287.db2.gz SAUAEEYPMBTWMZ-MNOVXSKESA-N 1 1 324.385 -1.590 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)n(C)n1 ZINC001369520804 919980657 /nfs/dbraw/zinc/98/06/57/919980657.db2.gz VQKSUYDHAVLVGP-LLVKDONJSA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)n(C)n1 ZINC001369520804 919980666 /nfs/dbraw/zinc/98/06/66/919980666.db2.gz VQKSUYDHAVLVGP-LLVKDONJSA-N 1 1 311.386 -1.168 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)Cn1ccnc1 ZINC001369522651 919980830 /nfs/dbraw/zinc/98/08/30/919980830.db2.gz LSYKYDXDQHCFDH-CYBMUJFWSA-N 1 1 321.385 -1.074 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n(C)n1 ZINC001369520805 919981496 /nfs/dbraw/zinc/98/14/96/919981496.db2.gz VQKSUYDHAVLVGP-NSHDSACASA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n(C)n1 ZINC001369520805 919981507 /nfs/dbraw/zinc/98/15/07/919981507.db2.gz VQKSUYDHAVLVGP-NSHDSACASA-N 1 1 311.386 -1.168 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c(=O)c1 ZINC001369515308 919982247 /nfs/dbraw/zinc/98/22/47/919982247.db2.gz DXDMVYSFCGGHCD-GFCCVEGCSA-N 1 1 324.381 -1.607 20 0 DAADMO Cc1ccn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c(=O)c1 ZINC001369515308 919982251 /nfs/dbraw/zinc/98/22/51/919982251.db2.gz DXDMVYSFCGGHCD-GFCCVEGCSA-N 1 1 324.381 -1.607 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1cncn1 ZINC001369522991 919982389 /nfs/dbraw/zinc/98/23/89/919982389.db2.gz FWZQVKRWLMFDOM-GFCCVEGCSA-N 1 1 324.385 -1.739 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1cncn1 ZINC001369522991 919982394 /nfs/dbraw/zinc/98/23/94/919982394.db2.gz FWZQVKRWLMFDOM-GFCCVEGCSA-N 1 1 324.385 -1.739 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369517626 919982610 /nfs/dbraw/zinc/98/26/10/919982610.db2.gz IZSBCMSBRPLXLU-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369517626 919982618 /nfs/dbraw/zinc/98/26/18/919982618.db2.gz IZSBCMSBRPLXLU-JTQLQIEISA-N 1 1 312.374 -1.684 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001369516776 919982672 /nfs/dbraw/zinc/98/26/72/919982672.db2.gz YXZXKCROEDWPQS-NSHDSACASA-N 1 1 302.375 -1.990 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001369548684 919982933 /nfs/dbraw/zinc/98/29/33/919982933.db2.gz ICBHYAJHENBAIC-RYUDHWBXSA-N 1 1 316.402 -1.745 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001369548684 919982942 /nfs/dbraw/zinc/98/29/42/919982942.db2.gz ICBHYAJHENBAIC-RYUDHWBXSA-N 1 1 316.402 -1.745 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520846 919983546 /nfs/dbraw/zinc/98/35/46/919983546.db2.gz WRQGMCHQUMSTRR-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369520846 919983560 /nfs/dbraw/zinc/98/35/60/919983560.db2.gz WRQGMCHQUMSTRR-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1nc2ncccn2n1 ZINC001369515152 919983764 /nfs/dbraw/zinc/98/37/64/919983764.db2.gz MXKLMFNOCNXHAZ-LLVKDONJSA-N 1 1 322.369 -1.590 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1cncn1 ZINC001369522992 919984021 /nfs/dbraw/zinc/98/40/21/919984021.db2.gz FWZQVKRWLMFDOM-LBPRGKRZSA-N 1 1 324.385 -1.739 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1cncn1 ZINC001369522992 919984031 /nfs/dbraw/zinc/98/40/31/919984031.db2.gz FWZQVKRWLMFDOM-LBPRGKRZSA-N 1 1 324.385 -1.739 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cccn1)[C@@H]1CCNC1=O ZINC001369552970 919986120 /nfs/dbraw/zinc/98/61/20/919986120.db2.gz KOMDKFXVSLEISR-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cccn1)[C@@H]1CCNC1=O ZINC001369552970 919986125 /nfs/dbraw/zinc/98/61/25/919986125.db2.gz KOMDKFXVSLEISR-GFCCVEGCSA-N 1 1 309.370 -1.164 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnon1)[C@@H]1CCN(C)C1=O ZINC001369554154 919986793 /nfs/dbraw/zinc/98/67/93/919986793.db2.gz GZIQEWQUNIUJAA-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnon1)[C@@H]1CCN(C)C1=O ZINC001369554154 919986808 /nfs/dbraw/zinc/98/68/08/919986808.db2.gz GZIQEWQUNIUJAA-LLVKDONJSA-N 1 1 311.342 -1.022 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C(C)(C)C ZINC001369566074 919986835 /nfs/dbraw/zinc/98/68/35/919986835.db2.gz WCTDDTQLKWMBSA-DTWKUNHWSA-N 1 1 324.389 -1.488 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CCF)CC1 ZINC001369769886 919999584 /nfs/dbraw/zinc/99/95/84/919999584.db2.gz VWXIPOLRFABWLT-UHFFFAOYSA-N 1 1 310.395 -1.068 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC001369822151 920001785 /nfs/dbraw/zinc/00/17/85/920001785.db2.gz SEEAIDCNAZIYOI-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001369855803 920005023 /nfs/dbraw/zinc/00/50/23/920005023.db2.gz RMCFLRVHMLULBS-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001369927639 920013672 /nfs/dbraw/zinc/01/36/72/920013672.db2.gz GBOGBGQFYZOFCA-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001369927631 920013838 /nfs/dbraw/zinc/01/38/38/920013838.db2.gz GBOGBGQFYZOFCA-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001369933337 920018562 /nfs/dbraw/zinc/01/85/62/920018562.db2.gz JGLJWMNKAXSIGD-ZDUSSCGKSA-N 1 1 311.430 -1.582 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001369975168 920022659 /nfs/dbraw/zinc/02/26/59/920022659.db2.gz IAADTQHHFKLUTD-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001369975168 920022677 /nfs/dbraw/zinc/02/26/77/920022677.db2.gz IAADTQHHFKLUTD-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001369975170 920023109 /nfs/dbraw/zinc/02/31/09/920023109.db2.gz IAADTQHHFKLUTD-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001369975170 920023128 /nfs/dbraw/zinc/02/31/28/920023128.db2.gz IAADTQHHFKLUTD-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993974 920027447 /nfs/dbraw/zinc/02/74/47/920027447.db2.gz FKRIVWPIXHNSQP-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001369993974 920027459 /nfs/dbraw/zinc/02/74/59/920027459.db2.gz FKRIVWPIXHNSQP-NWDGAFQWSA-N 1 1 320.411 -1.381 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001370009221 920031496 /nfs/dbraw/zinc/03/14/96/920031496.db2.gz XSWRWINJQJPNQS-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001370009221 920031509 /nfs/dbraw/zinc/03/15/09/920031509.db2.gz XSWRWINJQJPNQS-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001370025870 920032451 /nfs/dbraw/zinc/03/24/51/920032451.db2.gz BCTJBPGCIBCKSG-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001370045492 920032783 /nfs/dbraw/zinc/03/27/83/920032783.db2.gz OHDWCOKFQDMEHM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001370103721 920034521 /nfs/dbraw/zinc/03/45/21/920034521.db2.gz APGKFVLPRDLQGU-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001370133400 920039144 /nfs/dbraw/zinc/03/91/44/920039144.db2.gz WZMWLMBLFGLSOB-JTQLQIEISA-N 1 1 322.369 -1.177 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001370212074 920043974 /nfs/dbraw/zinc/04/39/74/920043974.db2.gz KQVQRWDVZWWMNW-RYUDHWBXSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001370212068 920044011 /nfs/dbraw/zinc/04/40/11/920044011.db2.gz KQVQRWDVZWWMNW-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C2CC2)n1 ZINC001370212078 920045019 /nfs/dbraw/zinc/04/50/19/920045019.db2.gz KQVQRWDVZWWMNW-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001370290894 920047693 /nfs/dbraw/zinc/04/76/93/920047693.db2.gz GDMTYUMQEAVCNY-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001370294599 920048238 /nfs/dbraw/zinc/04/82/38/920048238.db2.gz HAKGAJSNUYFFPW-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370292269 920048296 /nfs/dbraw/zinc/04/82/96/920048296.db2.gz APSSANICPSGOSI-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001370437282 920056304 /nfs/dbraw/zinc/05/63/04/920056304.db2.gz COBMAZSLGSXUKV-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462663 920060296 /nfs/dbraw/zinc/06/02/96/920060296.db2.gz TXUGUMRRWXHWKU-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001370462663 920060315 /nfs/dbraw/zinc/06/03/15/920060315.db2.gz TXUGUMRRWXHWKU-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001370523625 920065457 /nfs/dbraw/zinc/06/54/57/920065457.db2.gz PFENJJCCODHTMI-HAQNSBGRSA-N 1 1 321.385 -1.001 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001370523625 920065474 /nfs/dbraw/zinc/06/54/74/920065474.db2.gz PFENJJCCODHTMI-HAQNSBGRSA-N 1 1 321.385 -1.001 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001370631805 920074824 /nfs/dbraw/zinc/07/48/24/920074824.db2.gz APRHYCZUFNHVMR-VXGBXAGGSA-N 1 1 324.381 -1.006 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001370618610 920075313 /nfs/dbraw/zinc/07/53/13/920075313.db2.gz VAYUGAXOACVVHB-DTORHVGOSA-N 1 1 305.346 -1.302 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1)c1nnnn1C ZINC001370624317 920075597 /nfs/dbraw/zinc/07/55/97/920075597.db2.gz YOUJVJNEDORDPV-XHNCKOQMSA-N 1 1 316.387 -1.448 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001370613968 920075962 /nfs/dbraw/zinc/07/59/62/920075962.db2.gz HEDFUJDUJRVPDC-PHIMTYICSA-N 1 1 321.385 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C2=COCCO2)C1 ZINC001370635273 920077607 /nfs/dbraw/zinc/07/76/07/920077607.db2.gz IZIJCNXTJBTKNT-GHMZBOCLSA-N 1 1 313.354 -1.580 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370635872 920078352 /nfs/dbraw/zinc/07/83/52/920078352.db2.gz IWDJTAQUIQRNJF-MNOVXSKESA-N 1 1 300.359 -2.333 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)cnn1C ZINC001370651262 920088685 /nfs/dbraw/zinc/08/86/85/920088685.db2.gz NRKQJCKVDAWKDP-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001370650363 920089120 /nfs/dbraw/zinc/08/91/20/920089120.db2.gz MQVHPTISYWTNOL-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)cnn1C ZINC001370651265 920089216 /nfs/dbraw/zinc/08/92/16/920089216.db2.gz NRKQJCKVDAWKDP-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001370664480 920098063 /nfs/dbraw/zinc/09/80/63/920098063.db2.gz LYRXEEPNANXCHH-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001370665586 920098441 /nfs/dbraw/zinc/09/84/41/920098441.db2.gz AHWZISAHJBGQOD-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cncn1 ZINC001370669607 920099970 /nfs/dbraw/zinc/09/99/70/920099970.db2.gz PWXZVNLHAQFVLT-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674333 920102654 /nfs/dbraw/zinc/10/26/54/920102654.db2.gz ITVGHLHWVSNZSS-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674333 920102665 /nfs/dbraw/zinc/10/26/65/920102665.db2.gz ITVGHLHWVSNZSS-BDAKNGLRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674346 920106907 /nfs/dbraw/zinc/10/69/07/920106907.db2.gz ITVGHLHWVSNZSS-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674346 920106919 /nfs/dbraw/zinc/10/69/19/920106919.db2.gz ITVGHLHWVSNZSS-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674372 920107131 /nfs/dbraw/zinc/10/71/31/920107131.db2.gz ITVGHLHWVSNZSS-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674372 920107140 /nfs/dbraw/zinc/10/71/40/920107140.db2.gz ITVGHLHWVSNZSS-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370682170 920112762 /nfs/dbraw/zinc/11/27/62/920112762.db2.gz DWRJWSANXQRJRZ-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001370684047 920115472 /nfs/dbraw/zinc/11/54/72/920115472.db2.gz GWLZNFRGTCMCGZ-VHSXEESVSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCNC(N)=O)C1 ZINC001370708439 920132240 /nfs/dbraw/zinc/13/22/40/920132240.db2.gz QZZMXRJKTCAPOQ-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO Cc1cnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001370708388 920132290 /nfs/dbraw/zinc/13/22/90/920132290.db2.gz PZWLNKGWHJPWSU-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnns2)C1 ZINC001370707769 920132803 /nfs/dbraw/zinc/13/28/03/920132803.db2.gz NNKIKOBRNDWBLP-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1cnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001370708384 920133599 /nfs/dbraw/zinc/13/35/99/920133599.db2.gz PZWLNKGWHJPWSU-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cc[nH]n2)C1 ZINC001370710325 920135365 /nfs/dbraw/zinc/13/53/65/920135365.db2.gz WQHWJHVUXWVVBX-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370710287 920136379 /nfs/dbraw/zinc/13/63/79/920136379.db2.gz VZVOUHYEMXYBGU-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001370709698 920136503 /nfs/dbraw/zinc/13/65/03/920136503.db2.gz VMBQWGUFVDHQFB-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001370718543 920138481 /nfs/dbraw/zinc/13/84/81/920138481.db2.gz QTPFTMLNNHZDDR-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cc1nonc1C(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001370716602 920139207 /nfs/dbraw/zinc/13/92/07/920139207.db2.gz MLKUHKYEFFHCNN-JTQLQIEISA-N 1 1 313.358 -1.075 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1 ZINC001370730139 920144689 /nfs/dbraw/zinc/14/46/89/920144689.db2.gz ZLTZJCILSZRSOG-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001370736242 920146528 /nfs/dbraw/zinc/14/65/28/920146528.db2.gz XDOWOZBCGYJTDR-RYUDHWBXSA-N 1 1 312.374 -1.491 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001370732012 920147103 /nfs/dbraw/zinc/14/71/03/920147103.db2.gz PMULFWHQSRELFI-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370732185 920147397 /nfs/dbraw/zinc/14/73/97/920147397.db2.gz LZVPAHWKJOJYMI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370732185 920147404 /nfs/dbraw/zinc/14/74/04/920147404.db2.gz LZVPAHWKJOJYMI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370732185 920147411 /nfs/dbraw/zinc/14/74/11/920147411.db2.gz LZVPAHWKJOJYMI-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001370734796 920147869 /nfs/dbraw/zinc/14/78/69/920147869.db2.gz LPLFAZOPYRYGCX-GXSJLCMTSA-N 1 1 310.358 -1.884 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]n2)C1 ZINC001370735961 920148298 /nfs/dbraw/zinc/14/82/98/920148298.db2.gz QVIXJBWEXCIPMD-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370735961 920148305 /nfs/dbraw/zinc/14/83/05/920148305.db2.gz QVIXJBWEXCIPMD-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn[nH]2)C1 ZINC001370735961 920148311 /nfs/dbraw/zinc/14/83/11/920148311.db2.gz QVIXJBWEXCIPMD-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NC(=O)c1ccc[nH]1 ZINC001370737526 920149620 /nfs/dbraw/zinc/14/96/20/920149620.db2.gz RTAKBBMMRJMIHV-LBPRGKRZSA-N 1 1 324.381 -1.056 20 0 DAADMO Cn1cncc1C(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001370739385 920150173 /nfs/dbraw/zinc/15/01/73/920150173.db2.gz AZYIFWBFZKQKIL-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)CCC1 ZINC001370737745 920151418 /nfs/dbraw/zinc/15/14/18/920151418.db2.gz WENPZUZPXGMGKH-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001370747788 920153206 /nfs/dbraw/zinc/15/32/06/920153206.db2.gz UFIKIDYGSNHWNY-NWDGAFQWSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)C1=COCCO1 ZINC001370741661 920154470 /nfs/dbraw/zinc/15/44/70/920154470.db2.gz JMSWTPNOJSYVKW-NSHDSACASA-N 1 1 324.337 -1.327 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001370747791 920154554 /nfs/dbraw/zinc/15/45/54/920154554.db2.gz UFIKIDYGSNHWNY-RYUDHWBXSA-N 1 1 314.386 -1.942 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749977 920156236 /nfs/dbraw/zinc/15/62/36/920156236.db2.gz HDQQOPICTFKPLF-LBPRGKRZSA-N 1 1 321.381 -1.359 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001370756187 920159891 /nfs/dbraw/zinc/15/98/91/920159891.db2.gz HBFVVRWKPMSQSZ-DGCLKSJQSA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnc[nH]c1=O ZINC001370759666 920160590 /nfs/dbraw/zinc/16/05/90/920160590.db2.gz LDPGLAFNYCVJKF-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001370762372 920162781 /nfs/dbraw/zinc/16/27/81/920162781.db2.gz TUQWKFJLLYOQDD-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001370762372 920162785 /nfs/dbraw/zinc/16/27/85/920162785.db2.gz TUQWKFJLLYOQDD-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001370762372 920162789 /nfs/dbraw/zinc/16/27/89/920162789.db2.gz TUQWKFJLLYOQDD-NXEZZACHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001370775776 920171159 /nfs/dbraw/zinc/17/11/59/920171159.db2.gz SUTMSGXCVZQXMJ-NSHDSACASA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c(=O)n1C ZINC001370779298 920171355 /nfs/dbraw/zinc/17/13/55/920171355.db2.gz GVSAUEFWUKNVHA-LBPRGKRZSA-N 1 1 311.386 -1.289 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001370784292 920174598 /nfs/dbraw/zinc/17/45/98/920174598.db2.gz QIIFJVOMYVKTDS-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001370787446 920177780 /nfs/dbraw/zinc/17/77/80/920177780.db2.gz IDQPXZQFETWVBK-NWDGAFQWSA-N 1 1 316.402 -1.120 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802758 920182646 /nfs/dbraw/zinc/18/26/46/920182646.db2.gz FGDWJSUMKYMCGR-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802758 920182661 /nfs/dbraw/zinc/18/26/61/920182661.db2.gz FGDWJSUMKYMCGR-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)COC ZINC001370851327 920188444 /nfs/dbraw/zinc/18/84/44/920188444.db2.gz HWKRDPBAOQOYFC-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cccn1 ZINC001370959180 920196369 /nfs/dbraw/zinc/19/63/69/920196369.db2.gz VOJSOSIVNRPSNF-STQMWFEESA-N 1 1 323.397 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001370976209 920201944 /nfs/dbraw/zinc/20/19/44/920201944.db2.gz UCESDSGTLLCCKE-IEECTRCBSA-N 1 1 300.355 -1.545 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370979786 920202426 /nfs/dbraw/zinc/20/24/26/920202426.db2.gz MHGMPUFPXZOWKM-CHWSQXEVSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370979786 920202444 /nfs/dbraw/zinc/20/24/44/920202444.db2.gz MHGMPUFPXZOWKM-CHWSQXEVSA-N 1 1 324.381 -1.106 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1 ZINC001370976212 920203825 /nfs/dbraw/zinc/20/38/25/920203825.db2.gz UCESDSGTLLCCKE-KIJLLGNVSA-N 1 1 300.355 -1.545 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC001370996598 920210500 /nfs/dbraw/zinc/21/05/00/920210500.db2.gz JHWFGFREXSZWRG-ZXPJVPCYSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018378 920217487 /nfs/dbraw/zinc/21/74/87/920217487.db2.gz RYDJJOVXQFISDM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018378 920217501 /nfs/dbraw/zinc/21/75/01/920217501.db2.gz RYDJJOVXQFISDM-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018381 920217563 /nfs/dbraw/zinc/21/75/63/920217563.db2.gz RYDJJOVXQFISDM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)C1 ZINC001371018381 920217580 /nfs/dbraw/zinc/21/75/80/920217580.db2.gz RYDJJOVXQFISDM-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001371015702 920218372 /nfs/dbraw/zinc/21/83/72/920218372.db2.gz AXNHHUSNZYENAI-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001371021212 920219582 /nfs/dbraw/zinc/21/95/82/920219582.db2.gz XDJIGUKUMUBERN-SSYGJKRZSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001371021212 920219594 /nfs/dbraw/zinc/21/95/94/920219594.db2.gz XDJIGUKUMUBERN-SSYGJKRZSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001371021207 920221678 /nfs/dbraw/zinc/22/16/78/920221678.db2.gz XDJIGUKUMUBERN-APLVYKGISA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001371021207 920221697 /nfs/dbraw/zinc/22/16/97/920221697.db2.gz XDJIGUKUMUBERN-APLVYKGISA-N 1 1 311.382 -1.170 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001371034657 920222899 /nfs/dbraw/zinc/22/28/99/920222899.db2.gz GCFBDVYVVCKJAC-MLGHIDQZSA-N 1 1 311.382 -1.027 20 0 DAADMO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034660 920224046 /nfs/dbraw/zinc/22/40/46/920224046.db2.gz GUBJRXNVDJEGGQ-OQEOFVATSA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001371034660 920224059 /nfs/dbraw/zinc/22/40/59/920224059.db2.gz GUBJRXNVDJEGGQ-OQEOFVATSA-N 1 1 324.381 -1.100 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001371034656 920224856 /nfs/dbraw/zinc/22/48/56/920224856.db2.gz GCFBDVYVVCKJAC-FPYNETTCSA-N 1 1 311.382 -1.027 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001371039409 920227705 /nfs/dbraw/zinc/22/77/05/920227705.db2.gz FMXLKNQEPLLCLR-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1CCF ZINC001371093190 920228415 /nfs/dbraw/zinc/22/84/15/920228415.db2.gz NXPZXLKEHXYSAL-SECBINFHSA-N 1 1 300.338 -1.022 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ncnn1CCF ZINC001371093193 920231033 /nfs/dbraw/zinc/23/10/33/920231033.db2.gz NXPZXLKEHXYSAL-VIFPVBQESA-N 1 1 300.338 -1.022 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CC(NC(=O)CNC(N)=O)C1 ZINC001371191333 920236166 /nfs/dbraw/zinc/23/61/66/920236166.db2.gz KUVSMYDLDGHBJZ-UHFFFAOYSA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001371173641 920237189 /nfs/dbraw/zinc/23/71/89/920237189.db2.gz SQDMYCAPVMFZQU-RKDXNWHRSA-N 1 1 312.378 -1.316 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001371203410 920237605 /nfs/dbraw/zinc/23/76/05/920237605.db2.gz ILDYQVLAWDJGJH-MRVPVSSYSA-N 1 1 310.362 -1.469 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001371265762 920240428 /nfs/dbraw/zinc/24/04/28/920240428.db2.gz UKQCBARBGJXPAQ-UWVGGRQHSA-N 1 1 315.399 -1.156 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ncccn1 ZINC001371245445 920240835 /nfs/dbraw/zinc/24/08/35/920240835.db2.gz VVJFNXDBDVCBMR-JTQLQIEISA-N 1 1 322.369 -1.677 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001371257078 920240869 /nfs/dbraw/zinc/24/08/69/920240869.db2.gz PGCFSBFTYAJVCL-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nccn1C ZINC001371265887 920241920 /nfs/dbraw/zinc/24/19/20/920241920.db2.gz WSRMQPIXQXBHOO-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001371308166 920242599 /nfs/dbraw/zinc/24/25/99/920242599.db2.gz PKDVAEXZFREXIB-NXEZZACHSA-N 1 1 309.374 -1.084 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC001371310172 920244304 /nfs/dbraw/zinc/24/43/04/920244304.db2.gz NBRKEVFFAIAGNG-MRVPVSSYSA-N 1 1 319.387 -1.369 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001371308177 920245303 /nfs/dbraw/zinc/24/53/03/920245303.db2.gz PKDVAEXZFREXIB-ZJUUUORDSA-N 1 1 309.374 -1.084 20 0 DAADMO Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001371366405 920247750 /nfs/dbraw/zinc/24/77/50/920247750.db2.gz UKQRQIAOLNOJEM-UWVGGRQHSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ncnn1C ZINC001371448017 920255013 /nfs/dbraw/zinc/25/50/13/920255013.db2.gz GPYOUNNNMZTSLY-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001371473393 920265139 /nfs/dbraw/zinc/26/51/39/920265139.db2.gz YQHRIEPTHSOQMP-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001371499548 920270493 /nfs/dbraw/zinc/27/04/93/920270493.db2.gz IGBWJBDEVIZGBB-JTQLQIEISA-N 1 1 308.342 -1.402 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001371512780 920271449 /nfs/dbraw/zinc/27/14/49/920271449.db2.gz NBVXYDVOYHOMEL-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1O ZINC001371538689 920280641 /nfs/dbraw/zinc/28/06/41/920280641.db2.gz TUBQKRJOTBEZEJ-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O)[NH+](C)C ZINC001371538726 920281342 /nfs/dbraw/zinc/28/13/42/920281342.db2.gz UXMCNVWMKHODPK-AGIUHOORSA-N 1 1 323.397 -1.020 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001371554689 920287753 /nfs/dbraw/zinc/28/77/53/920287753.db2.gz HEQDQFUCSXTSHH-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001371695218 920295681 /nfs/dbraw/zinc/29/56/81/920295681.db2.gz RUSRNHGPTVOKFC-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001371695218 920295701 /nfs/dbraw/zinc/29/57/01/920295701.db2.gz RUSRNHGPTVOKFC-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001371767691 920298571 /nfs/dbraw/zinc/29/85/71/920298571.db2.gz DNPPQYUIGWYPCM-VHSXEESVSA-N 1 1 309.374 -1.137 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001371845102 920304259 /nfs/dbraw/zinc/30/42/59/920304259.db2.gz MMTRVEIAYNMTIC-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001371858819 920307831 /nfs/dbraw/zinc/30/78/31/920307831.db2.gz WTNJWTIEDGEHNZ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001371858819 920307845 /nfs/dbraw/zinc/30/78/45/920307845.db2.gz WTNJWTIEDGEHNZ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001371858819 920307858 /nfs/dbraw/zinc/30/78/58/920307858.db2.gz WTNJWTIEDGEHNZ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001371858819 920307871 /nfs/dbraw/zinc/30/78/71/920307871.db2.gz WTNJWTIEDGEHNZ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001371858819 920307882 /nfs/dbraw/zinc/30/78/82/920307882.db2.gz WTNJWTIEDGEHNZ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001371919607 920308833 /nfs/dbraw/zinc/30/88/33/920308833.db2.gz AENZQLFJWCLUSK-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001371919607 920308853 /nfs/dbraw/zinc/30/88/53/920308853.db2.gz AENZQLFJWCLUSK-ZJUUUORDSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001371919585 920309831 /nfs/dbraw/zinc/30/98/31/920309831.db2.gz AENZQLFJWCLUSK-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001371919585 920309855 /nfs/dbraw/zinc/30/98/55/920309855.db2.gz AENZQLFJWCLUSK-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1cnnn1C)S(C)(=O)=O ZINC001371961825 920312224 /nfs/dbraw/zinc/31/22/24/920312224.db2.gz IFBFNKNNQOILQP-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1cnnn1C)S(C)(=O)=O ZINC001371961825 920312241 /nfs/dbraw/zinc/31/22/41/920312241.db2.gz IFBFNKNNQOILQP-UHFFFAOYSA-N 1 1 318.403 -1.632 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CCN1CCNC1=O ZINC001371943156 920313456 /nfs/dbraw/zinc/31/34/56/920313456.db2.gz BTPQWSCZEMBFRM-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001371966012 920314232 /nfs/dbraw/zinc/31/42/32/920314232.db2.gz PKKRGYQUGRCGGG-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001371966012 920314248 /nfs/dbraw/zinc/31/42/48/920314248.db2.gz PKKRGYQUGRCGGG-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)C1 ZINC001371950236 920314371 /nfs/dbraw/zinc/31/43/71/920314371.db2.gz JMGZOPZTQGZDTM-UHFFFAOYSA-N 1 1 320.415 -1.938 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)C1 ZINC001371950236 920314385 /nfs/dbraw/zinc/31/43/85/920314385.db2.gz JMGZOPZTQGZDTM-UHFFFAOYSA-N 1 1 320.415 -1.938 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1nccc(C)n1 ZINC001371961042 920314634 /nfs/dbraw/zinc/31/46/34/920314634.db2.gz FIYCSBBBUVBPCT-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1nccc(C)n1 ZINC001371961042 920314639 /nfs/dbraw/zinc/31/46/39/920314639.db2.gz FIYCSBBBUVBPCT-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)nnn1C ZINC001371940656 920314984 /nfs/dbraw/zinc/31/49/84/920314984.db2.gz NHXCEADZKWXCAY-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)nnn1C ZINC001371940656 920315004 /nfs/dbraw/zinc/31/50/04/920315004.db2.gz NHXCEADZKWXCAY-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953644 920315480 /nfs/dbraw/zinc/31/54/80/920315480.db2.gz SEPQLBPVRSDGNG-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001371953644 920315496 /nfs/dbraw/zinc/31/54/96/920315496.db2.gz SEPQLBPVRSDGNG-DTWKUNHWSA-N 1 1 311.346 -1.530 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001371980284 920316364 /nfs/dbraw/zinc/31/63/64/920316364.db2.gz WNLYGDMCQNTDOX-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001371980284 920316380 /nfs/dbraw/zinc/31/63/80/920316380.db2.gz WNLYGDMCQNTDOX-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001371979664 920318504 /nfs/dbraw/zinc/31/85/04/920318504.db2.gz UZMNCXCVRYQRLS-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001371979664 920318518 /nfs/dbraw/zinc/31/85/18/920318518.db2.gz UZMNCXCVRYQRLS-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO Cn1nccc1COCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001372008541 920324701 /nfs/dbraw/zinc/32/47/01/920324701.db2.gz ILCBYGKZXQIUSW-LBPRGKRZSA-N 1 1 309.370 -1.127 20 0 DAADMO Cn1nccc1COCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001372008541 920324730 /nfs/dbraw/zinc/32/47/30/920324730.db2.gz ILCBYGKZXQIUSW-LBPRGKRZSA-N 1 1 309.370 -1.127 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001372026415 920325542 /nfs/dbraw/zinc/32/55/42/920325542.db2.gz SIFDUCOKDXMERK-GFCCVEGCSA-N 1 1 316.402 -2.184 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCCNC1=O)[C@H]1CCCNC1=O ZINC001372032080 920329108 /nfs/dbraw/zinc/32/91/08/920329108.db2.gz ZXZLWJBGHXIAJM-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@H]1CCCNC1=O ZINC001372032080 920329114 /nfs/dbraw/zinc/32/91/14/920329114.db2.gz ZXZLWJBGHXIAJM-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001372056923 920332908 /nfs/dbraw/zinc/33/29/08/920332908.db2.gz YWWFKYLHMURCKE-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001372056923 920332921 /nfs/dbraw/zinc/33/29/21/920332921.db2.gz YWWFKYLHMURCKE-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(N)=O)CCN1CCNC1=O ZINC001372058888 920333234 /nfs/dbraw/zinc/33/32/34/920333234.db2.gz LXTBZXMBNWWSTF-MNOVXSKESA-N 1 1 311.386 -1.429 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]1C(N)=O)CCN1CCNC1=O ZINC001372058886 920333916 /nfs/dbraw/zinc/33/39/16/920333916.db2.gz LXTBZXMBNWWSTF-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001372056921 920334265 /nfs/dbraw/zinc/33/42/65/920334265.db2.gz YWWFKYLHMURCKE-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001372056921 920334282 /nfs/dbraw/zinc/33/42/82/920334282.db2.gz YWWFKYLHMURCKE-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001372110631 920335121 /nfs/dbraw/zinc/33/51/21/920335121.db2.gz GOMGKGPCFCDNQW-WFASDCNBSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)CNC(N)=O)CC2)C1 ZINC001372128271 920338073 /nfs/dbraw/zinc/33/80/73/920338073.db2.gz XHIXXKMBNQQGRZ-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+](CCNC(=O)c1ccnnc1)CCNS(C)(=O)=O ZINC001372129705 920338790 /nfs/dbraw/zinc/33/87/90/920338790.db2.gz BMBSYLMYRRQARC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccnnc1)CCNS(C)(=O)=O ZINC001372129705 920338807 /nfs/dbraw/zinc/33/88/07/920338807.db2.gz BMBSYLMYRRQARC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001372138785 920338968 /nfs/dbraw/zinc/33/89/68/920338968.db2.gz DDPYWGSBZIMAFN-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001372138785 920338983 /nfs/dbraw/zinc/33/89/83/920338983.db2.gz DDPYWGSBZIMAFN-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001372156494 920339559 /nfs/dbraw/zinc/33/95/59/920339559.db2.gz QXZKNRMTVMYFIO-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO C[N@H+](CCNC(=O)c1ccncn1)CCNS(C)(=O)=O ZINC001372155760 920341664 /nfs/dbraw/zinc/34/16/64/920341664.db2.gz LALSOFLCEUKXIT-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccncn1)CCNS(C)(=O)=O ZINC001372155760 920341680 /nfs/dbraw/zinc/34/16/80/920341680.db2.gz LALSOFLCEUKXIT-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ncccn1 ZINC001372162618 920342568 /nfs/dbraw/zinc/34/25/68/920342568.db2.gz QLELGJPYMHIKSP-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ncccn1 ZINC001372162618 920342576 /nfs/dbraw/zinc/34/25/76/920342576.db2.gz QLELGJPYMHIKSP-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1ncc[nH]1)C[C@H](O)CN1CCCC1=O ZINC001372163973 920343551 /nfs/dbraw/zinc/34/35/51/920343551.db2.gz CAPOIDSAGOZBKQ-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1cncn1C ZINC001372186391 920343620 /nfs/dbraw/zinc/34/36/20/920343620.db2.gz ZDGBYQONEVQNNW-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC001372186391 920343633 /nfs/dbraw/zinc/34/36/33/920343633.db2.gz ZDGBYQONEVQNNW-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001372170128 920344566 /nfs/dbraw/zinc/34/45/66/920344566.db2.gz FOOSWNWGSMIEFF-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001372170128 920344588 /nfs/dbraw/zinc/34/45/88/920344588.db2.gz FOOSWNWGSMIEFF-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001372204440 920344837 /nfs/dbraw/zinc/34/48/37/920344837.db2.gz QQPSWDBTIZPVAW-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001372204440 920344854 /nfs/dbraw/zinc/34/48/54/920344854.db2.gz QQPSWDBTIZPVAW-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001372210302 920346228 /nfs/dbraw/zinc/34/62/28/920346228.db2.gz LJSLJJJOGAXDSP-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(N)=O ZINC001372281561 920358327 /nfs/dbraw/zinc/35/83/27/920358327.db2.gz NWPOISYHLVUBCM-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(N)=O ZINC001372281561 920358335 /nfs/dbraw/zinc/35/83/35/920358335.db2.gz NWPOISYHLVUBCM-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001372317979 920365183 /nfs/dbraw/zinc/36/51/83/920365183.db2.gz MHHRPPDSTMWGPW-VIFPVBQESA-N 1 1 314.342 -1.427 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@H]1COC(=O)C1)CC(=O)NC(N)=O ZINC001372317979 920365198 /nfs/dbraw/zinc/36/51/98/920365198.db2.gz MHHRPPDSTMWGPW-VIFPVBQESA-N 1 1 314.342 -1.427 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(=O)NC(=O)NC ZINC001372349155 920366108 /nfs/dbraw/zinc/36/61/08/920366108.db2.gz RBZZNRQLZMGSNR-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)CC(=O)NC(=O)NC ZINC001372349155 920366118 /nfs/dbraw/zinc/36/61/18/920366118.db2.gz RBZZNRQLZMGSNR-UHFFFAOYSA-N 1 1 324.341 -1.311 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C[C@@H](O)COC ZINC001372393104 920366891 /nfs/dbraw/zinc/36/68/91/920366891.db2.gz CXELFFFTWDKRMN-GHMZBOCLSA-N 1 1 302.375 -1.545 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CCOC ZINC001372373250 920369199 /nfs/dbraw/zinc/36/91/99/920369199.db2.gz BCYNUXCSHOCTKX-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CCOC ZINC001372373250 920369218 /nfs/dbraw/zinc/36/92/18/920369218.db2.gz BCYNUXCSHOCTKX-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@H]1CCCNC1=O ZINC001372448631 920370406 /nfs/dbraw/zinc/37/04/06/920370406.db2.gz YKNYGFNHPQJKJH-NSHDSACASA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001372415364 920370928 /nfs/dbraw/zinc/37/09/28/920370928.db2.gz SBBMOQGSVYFMDH-NWDGAFQWSA-N 1 1 321.385 -1.222 20 0 DAADMO COCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001372479438 920373714 /nfs/dbraw/zinc/37/37/14/920373714.db2.gz DMGHGTAILUXPFG-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001372479438 920373726 /nfs/dbraw/zinc/37/37/26/920373726.db2.gz DMGHGTAILUXPFG-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001372501379 920375856 /nfs/dbraw/zinc/37/58/56/920375856.db2.gz OZKWMVVCSIEVOA-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001372501382 920376266 /nfs/dbraw/zinc/37/62/66/920376266.db2.gz OZKWMVVCSIEVOA-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001372491306 920377855 /nfs/dbraw/zinc/37/78/55/920377855.db2.gz LUDMAYDDZXDMOG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372507110 920379281 /nfs/dbraw/zinc/37/92/81/920379281.db2.gz PAOOFGIGRXCWOD-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372507110 920379294 /nfs/dbraw/zinc/37/92/94/920379294.db2.gz PAOOFGIGRXCWOD-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372507105 920379882 /nfs/dbraw/zinc/37/98/82/920379882.db2.gz PAOOFGIGRXCWOD-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372507105 920379897 /nfs/dbraw/zinc/37/98/97/920379897.db2.gz PAOOFGIGRXCWOD-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372507102 920379994 /nfs/dbraw/zinc/37/99/94/920379994.db2.gz PAOOFGIGRXCWOD-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372507102 920380010 /nfs/dbraw/zinc/38/00/10/920380010.db2.gz PAOOFGIGRXCWOD-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001372513092 920380259 /nfs/dbraw/zinc/38/02/59/920380259.db2.gz SWPDFTULVPZKFR-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001372549740 920384620 /nfs/dbraw/zinc/38/46/20/920384620.db2.gz KFKHNMUWWKYUDL-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001372549740 920384633 /nfs/dbraw/zinc/38/46/33/920384633.db2.gz KFKHNMUWWKYUDL-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001372552992 920386176 /nfs/dbraw/zinc/38/61/76/920386176.db2.gz TWNPASDOQWJCIB-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cnnn1 ZINC001372552622 920387158 /nfs/dbraw/zinc/38/71/58/920387158.db2.gz TWNPASDOQWJCIB-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001372558696 920387225 /nfs/dbraw/zinc/38/72/25/920387225.db2.gz UWKGXRBGIPYDMO-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001372558696 920387240 /nfs/dbraw/zinc/38/72/40/920387240.db2.gz UWKGXRBGIPYDMO-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001372565195 920387681 /nfs/dbraw/zinc/38/76/81/920387681.db2.gz MIDWXMABHBUNTB-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001372552129 920388469 /nfs/dbraw/zinc/38/84/69/920388469.db2.gz IRVCBZZKLPFYFA-VIFPVBQESA-N 1 1 308.342 -1.272 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001372552129 920388486 /nfs/dbraw/zinc/38/84/86/920388486.db2.gz IRVCBZZKLPFYFA-VIFPVBQESA-N 1 1 308.342 -1.272 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1nnc2c(=O)[nH]ccn12 ZINC001372609359 920389185 /nfs/dbraw/zinc/38/91/85/920389185.db2.gz JYCURQVRJXPJKT-VIFPVBQESA-N 1 1 321.341 -1.717 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001372612287 920389628 /nfs/dbraw/zinc/38/96/28/920389628.db2.gz MSSXFVJEMIRLCR-IUCAKERBSA-N 1 1 323.357 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001372608625 920389839 /nfs/dbraw/zinc/38/98/39/920389839.db2.gz MRUOAKDUTZXRHA-WDEREUQCSA-N 1 1 312.370 -1.083 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001372612292 920389879 /nfs/dbraw/zinc/38/98/79/920389879.db2.gz MSSXFVJEMIRLCR-RKDXNWHRSA-N 1 1 323.357 -1.550 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001372609770 920390088 /nfs/dbraw/zinc/39/00/88/920390088.db2.gz HZYPFWJRLPACMA-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001372612104 920390554 /nfs/dbraw/zinc/39/05/54/920390554.db2.gz LTIIHHCEOVWKRC-BHDSKKPTSA-N 1 1 310.354 -1.344 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001372604105 920390874 /nfs/dbraw/zinc/39/08/74/920390874.db2.gz FKEOANDYSAGFNS-BDAKNGLRSA-N 1 1 323.357 -1.550 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001372611433 920390918 /nfs/dbraw/zinc/39/09/18/920390918.db2.gz BHIAITBPSJZZQI-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001372591940 920391313 /nfs/dbraw/zinc/39/13/13/920391313.db2.gz CBPVZNBRRFGLJI-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001372607124 920391935 /nfs/dbraw/zinc/39/19/35/920391935.db2.gz FTEYRWNQYLAORN-UHFFFAOYSA-N 1 1 323.357 -1.469 20 0 DAADMO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001372647121 920393319 /nfs/dbraw/zinc/39/33/19/920393319.db2.gz XFBDEBNYWFDURI-KXNHARMFSA-N 1 1 317.411 -1.120 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnns2)C1 ZINC001372618671 920394239 /nfs/dbraw/zinc/39/42/39/920394239.db2.gz ZDGXSBUXFXHKAE-SSDOTTSWSA-N 1 1 312.355 -1.215 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnns2)C1 ZINC001372618671 920394254 /nfs/dbraw/zinc/39/42/54/920394254.db2.gz ZDGXSBUXFXHKAE-SSDOTTSWSA-N 1 1 312.355 -1.215 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001372617367 920394680 /nfs/dbraw/zinc/39/46/80/920394680.db2.gz MCNXZOOURJVGTN-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001372654092 920395518 /nfs/dbraw/zinc/39/55/18/920395518.db2.gz RAIZCYGJGGYIKO-CMPLNLGQSA-N 1 1 323.397 -1.368 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001372661153 920398518 /nfs/dbraw/zinc/39/85/18/920398518.db2.gz FZHKAWIFBKIKAN-SNVBAGLBSA-N 1 1 322.369 -1.154 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(N)=O ZINC001372704637 920402729 /nfs/dbraw/zinc/40/27/29/920402729.db2.gz KKGZIIYZNCLZHE-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)CC(N)=O ZINC001372704637 920402741 /nfs/dbraw/zinc/40/27/41/920402741.db2.gz KKGZIIYZNCLZHE-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@H+](CC(=O)N1CCCC1)C1CC1 ZINC001372767267 920407815 /nfs/dbraw/zinc/40/78/15/920407815.db2.gz ZNZCWKUNHBBYAC-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](CC(=O)N1CCCC1)C1CC1 ZINC001372767267 920407829 /nfs/dbraw/zinc/40/78/29/920407829.db2.gz ZNZCWKUNHBBYAC-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CCN1CC[C@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001372761638 920408562 /nfs/dbraw/zinc/40/85/62/920408562.db2.gz JBGZVBGLSCVBBX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001372761638 920408573 /nfs/dbraw/zinc/40/85/73/920408573.db2.gz JBGZVBGLSCVBBX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372880422 920427060 /nfs/dbraw/zinc/42/70/60/920427060.db2.gz MQOBWOGFEIFSRK-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001372877513 920427328 /nfs/dbraw/zinc/42/73/28/920427328.db2.gz ARYSBROADWGGPW-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC001372893100 920431207 /nfs/dbraw/zinc/43/12/07/920431207.db2.gz BYGXGSFOLLRQIM-UHFFFAOYSA-N 1 1 317.353 -1.267 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)C1CC1 ZINC001372893100 920431210 /nfs/dbraw/zinc/43/12/10/920431210.db2.gz BYGXGSFOLLRQIM-UHFFFAOYSA-N 1 1 317.353 -1.267 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001372978834 920443718 /nfs/dbraw/zinc/44/37/18/920443718.db2.gz ZBJRYNZFFDRMCI-WCBMZHEXSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001373024538 920449894 /nfs/dbraw/zinc/44/98/94/920449894.db2.gz CWOWQGINTACYGQ-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO)S(C)(=O)=O ZINC001373045759 920452995 /nfs/dbraw/zinc/45/29/95/920452995.db2.gz NKNIZCGQYXYDKX-TXEJJXNPSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001373064334 920456137 /nfs/dbraw/zinc/45/61/37/920456137.db2.gz KBCAIWDYBCZXKB-ONGXEEELSA-N 1 1 311.386 -1.227 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373079967 920456506 /nfs/dbraw/zinc/45/65/06/920456506.db2.gz ABPVLIFQSDNVGY-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373079967 920456516 /nfs/dbraw/zinc/45/65/16/920456516.db2.gz ABPVLIFQSDNVGY-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)COC)C1 ZINC001373130001 920462686 /nfs/dbraw/zinc/46/26/86/920462686.db2.gz GIYOEIQMMSJGGV-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001373148811 920462718 /nfs/dbraw/zinc/46/27/18/920462718.db2.gz UOFCPURKQKDOHA-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001373155711 920465117 /nfs/dbraw/zinc/46/51/17/920465117.db2.gz PSNBOWCVXCPQLI-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCF)C1 ZINC001373197383 920466411 /nfs/dbraw/zinc/46/64/11/920466411.db2.gz AJNOYIQEZSMXDY-JTQLQIEISA-N 1 1 310.395 -1.162 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001373298495 920471424 /nfs/dbraw/zinc/47/14/24/920471424.db2.gz CLDWGJRTWHBRDV-NSHDSACASA-N 1 1 312.370 -1.299 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001373278723 920471599 /nfs/dbraw/zinc/47/15/99/920471599.db2.gz FFJJXIGZTQPFAR-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001373294477 920473148 /nfs/dbraw/zinc/47/31/48/920473148.db2.gz QQWOUEUFPJWOMZ-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373294472 920473215 /nfs/dbraw/zinc/47/32/15/920473215.db2.gz QQWOUEUFPJWOMZ-MNOVXSKESA-N 1 1 311.386 -1.464 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373273887 920473872 /nfs/dbraw/zinc/47/38/72/920473872.db2.gz RWJXGHIMHPZTMI-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCCO)C1 ZINC001373310466 920476848 /nfs/dbraw/zinc/47/68/48/920476848.db2.gz IDYWEPBJJZYWQF-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO CN(CCNC(=O)Cn1cnnn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001373353923 920478276 /nfs/dbraw/zinc/47/82/76/920478276.db2.gz NEWJCSLSJRXDPR-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373370461 920480573 /nfs/dbraw/zinc/48/05/73/920480573.db2.gz UXGADQGTCOGPPU-OUAUKWLOSA-N 1 1 301.343 -1.317 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001373390787 920483871 /nfs/dbraw/zinc/48/38/71/920483871.db2.gz PVGKXMYFJNORRD-WDEREUQCSA-N 1 1 303.359 -1.070 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001373385603 920484759 /nfs/dbraw/zinc/48/47/59/920484759.db2.gz OWFOSKYZRDMJGM-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001373374628 920485489 /nfs/dbraw/zinc/48/54/89/920485489.db2.gz RPVVZQDWPYJOQX-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373396136 920488050 /nfs/dbraw/zinc/48/80/50/920488050.db2.gz UXGADQGTCOGPPU-GARJFASQSA-N 1 1 301.343 -1.317 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001373411440 920488955 /nfs/dbraw/zinc/48/89/55/920488955.db2.gz MYWRZWVIHFMOKO-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001373395567 920489854 /nfs/dbraw/zinc/48/98/54/920489854.db2.gz QRWZRBCRSUQBNM-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(CCN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)S(C)(=O)=O ZINC001373414523 920491085 /nfs/dbraw/zinc/49/10/85/920491085.db2.gz ACVONCFHAZXBLN-GFCCVEGCSA-N 1 1 318.443 -1.228 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373422908 920491397 /nfs/dbraw/zinc/49/13/97/920491397.db2.gz OQQATTWKZQJBBR-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373422908 920491406 /nfs/dbraw/zinc/49/14/06/920491406.db2.gz OQQATTWKZQJBBR-SNVBAGLBSA-N 1 1 313.358 -2.427 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373422375 920491799 /nfs/dbraw/zinc/49/17/99/920491799.db2.gz GUFKOMJABLCLRQ-WPRPVWTQSA-N 1 1 313.358 -2.299 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373422375 920491807 /nfs/dbraw/zinc/49/18/07/920491807.db2.gz GUFKOMJABLCLRQ-WPRPVWTQSA-N 1 1 313.358 -2.299 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001373433138 920497515 /nfs/dbraw/zinc/49/75/15/920497515.db2.gz HCKRSOYRGDMYJY-NWDGAFQWSA-N 1 1 323.397 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001373448009 920499637 /nfs/dbraw/zinc/49/96/37/920499637.db2.gz VRFWUXBHTOEEGK-LLVKDONJSA-N 1 1 320.415 -1.590 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373445234 920499688 /nfs/dbraw/zinc/49/96/88/920499688.db2.gz KEHOLWRQCHRXFP-VIFPVBQESA-N 1 1 308.404 -1.998 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001373462095 920501476 /nfs/dbraw/zinc/50/14/76/920501476.db2.gz BGSIDABCGSHAJO-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C[C@H](O)COC)C2)C1 ZINC001373479946 920508484 /nfs/dbraw/zinc/50/84/84/920508484.db2.gz LPIGYBHRRMEKRU-STQMWFEESA-N 1 1 301.387 -1.485 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C[C@H](O)COC)C2)C1 ZINC001373479946 920508493 /nfs/dbraw/zinc/50/84/93/920508493.db2.gz LPIGYBHRRMEKRU-STQMWFEESA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(NCC[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001373509634 920513059 /nfs/dbraw/zinc/51/30/59/920513059.db2.gz SIKCHXBKWFBAQN-LLVKDONJSA-N 1 1 310.354 -1.331 20 0 DAADMO O=C(NCC[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001373509635 920513225 /nfs/dbraw/zinc/51/32/25/920513225.db2.gz SIKCHXBKWFBAQN-NSHDSACASA-N 1 1 310.354 -1.331 20 0 DAADMO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H]3CCN(C)C3=O)C2)[nH]1 ZINC001373507075 920513543 /nfs/dbraw/zinc/51/35/43/920513543.db2.gz CHIQZGUHZSZLSN-LLVKDONJSA-N 1 1 306.370 -1.066 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001373507585 920514397 /nfs/dbraw/zinc/51/43/97/920514397.db2.gz IPNAVBIIXNPFBU-SECBINFHSA-N 1 1 307.358 -1.612 20 0 DAADMO C[N@@H+](CC(=O)NCC1CN(CC(=O)NC(N)=O)C1)C1CCC1 ZINC001373513895 920514636 /nfs/dbraw/zinc/51/46/36/920514636.db2.gz OTANFZQVXHENCS-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)Cn3cncn3)C2)C1=O ZINC001373551540 920522004 /nfs/dbraw/zinc/52/20/04/920522004.db2.gz JXXSXGIJLVOCRB-GFCCVEGCSA-N 1 1 306.370 -1.053 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCO1 ZINC001373565213 920522585 /nfs/dbraw/zinc/52/25/85/920522585.db2.gz YVDBZRMPDDERQA-ZDEQEGDKSA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCO1 ZINC001373565213 920522595 /nfs/dbraw/zinc/52/25/95/920522595.db2.gz YVDBZRMPDDERQA-ZDEQEGDKSA-N 1 1 300.355 -1.306 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1 ZINC001373551546 920522714 /nfs/dbraw/zinc/52/27/14/920522714.db2.gz KBKABOSAIFSEIQ-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cnn(C)n2)C1 ZINC001373560288 920523407 /nfs/dbraw/zinc/52/34/07/920523407.db2.gz DDWFGBVEBRPDPY-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)c2cnn(C)n2)C1 ZINC001373560288 920523422 /nfs/dbraw/zinc/52/34/22/920523422.db2.gz DDWFGBVEBRPDPY-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001373574231 920525909 /nfs/dbraw/zinc/52/59/09/920525909.db2.gz IIPHGGAMUIJZML-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCS(=O)(=O)N(C)C ZINC001373578609 920527290 /nfs/dbraw/zinc/52/72/90/920527290.db2.gz DPIXLTIWNVLOBF-SRVKXCTJSA-N 1 1 319.427 -1.066 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)COC ZINC001373579203 920527587 /nfs/dbraw/zinc/52/75/87/920527587.db2.gz JMHANGNHFQOJQU-VWYCJHECSA-N 1 1 305.400 -1.144 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)COC ZINC001373579203 920527595 /nfs/dbraw/zinc/52/75/95/920527595.db2.gz JMHANGNHFQOJQU-VWYCJHECSA-N 1 1 305.400 -1.144 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373593400 920530384 /nfs/dbraw/zinc/53/03/84/920530384.db2.gz ZSBCFIOYLGQKRU-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001373593400 920530398 /nfs/dbraw/zinc/53/03/98/920530398.db2.gz ZSBCFIOYLGQKRU-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001373599252 920530507 /nfs/dbraw/zinc/53/05/07/920530507.db2.gz GVUMGNSGKOBKNU-MNOVXSKESA-N 1 1 320.415 -1.733 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001373594766 920530711 /nfs/dbraw/zinc/53/07/11/920530711.db2.gz AAFWJXLNHDSLOT-NSHDSACASA-N 1 1 302.350 -1.211 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001373594804 920531682 /nfs/dbraw/zinc/53/16/82/920531682.db2.gz CBLBBWJKKARTNN-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001373607348 920532904 /nfs/dbraw/zinc/53/29/04/920532904.db2.gz RFSFZNSWSMNRQP-UWVGGRQHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001373608968 920534293 /nfs/dbraw/zinc/53/42/93/920534293.db2.gz TWANAZGHGMNNKQ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001373608101 920534540 /nfs/dbraw/zinc/53/45/40/920534540.db2.gz FFTGTLBSGMYMAN-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001373620433 920537154 /nfs/dbraw/zinc/53/71/54/920537154.db2.gz MFHBASBJQXPFPF-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001373620433 920537166 /nfs/dbraw/zinc/53/71/66/920537166.db2.gz MFHBASBJQXPFPF-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001373614681 920537760 /nfs/dbraw/zinc/53/77/60/920537760.db2.gz SLHUHCLTNFFUPO-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001373645992 920543793 /nfs/dbraw/zinc/54/37/93/920543793.db2.gz CBKUCJLUMVIWNM-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001373645992 920543803 /nfs/dbraw/zinc/54/38/03/920543803.db2.gz CBKUCJLUMVIWNM-GHMZBOCLSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001373645994 920544003 /nfs/dbraw/zinc/54/40/03/920544003.db2.gz CBKUCJLUMVIWNM-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001373645994 920544010 /nfs/dbraw/zinc/54/40/10/920544010.db2.gz CBKUCJLUMVIWNM-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001373645193 920545147 /nfs/dbraw/zinc/54/51/47/920545147.db2.gz FFTGTLBSGMYMAN-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649783 920545893 /nfs/dbraw/zinc/54/58/93/920545893.db2.gz NHIMLXXBTWBQHB-DTWKUNHWSA-N 1 1 309.330 -1.948 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373649783 920545899 /nfs/dbraw/zinc/54/58/99/920545899.db2.gz NHIMLXXBTWBQHB-DTWKUNHWSA-N 1 1 309.330 -1.948 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001373645672 920546240 /nfs/dbraw/zinc/54/62/40/920546240.db2.gz WDCGFCZVXUHNTO-BBBLOLIVSA-N 1 1 314.342 -2.218 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001373688468 920547167 /nfs/dbraw/zinc/54/71/67/920547167.db2.gz PTOLIZMINJXECQ-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001373688468 920547174 /nfs/dbraw/zinc/54/71/74/920547174.db2.gz PTOLIZMINJXECQ-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001373675524 920547209 /nfs/dbraw/zinc/54/72/09/920547209.db2.gz YMGOQUYZWPTQQU-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001373675524 920547220 /nfs/dbraw/zinc/54/72/20/920547220.db2.gz YMGOQUYZWPTQQU-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001373672523 920547914 /nfs/dbraw/zinc/54/79/14/920547914.db2.gz KUWMJWKWTSIGKI-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO CCC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373666235 920549639 /nfs/dbraw/zinc/54/96/39/920549639.db2.gz FFMYKZDSCDMRMQ-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373666235 920549653 /nfs/dbraw/zinc/54/96/53/920549653.db2.gz FFMYKZDSCDMRMQ-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCN(C(=O)CCNC(=O)NC)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373711676 920550733 /nfs/dbraw/zinc/55/07/33/920550733.db2.gz WGAOOYPQCXVQOP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C(=O)CCNC(=O)NC)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373711676 920550763 /nfs/dbraw/zinc/55/07/63/920550763.db2.gz WGAOOYPQCXVQOP-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373691172 920550785 /nfs/dbraw/zinc/55/07/85/920550785.db2.gz ZLBCPJHVTILWFP-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001373691172 920550800 /nfs/dbraw/zinc/55/08/00/920550800.db2.gz ZLBCPJHVTILWFP-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001373712573 920551558 /nfs/dbraw/zinc/55/15/58/920551558.db2.gz RSBGLAAAAZKJHX-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001373705662 920552579 /nfs/dbraw/zinc/55/25/79/920552579.db2.gz SQRWPRYCKADANB-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001373707532 920552620 /nfs/dbraw/zinc/55/26/20/920552620.db2.gz IKSOOOFJWCMYMX-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001373707532 920552638 /nfs/dbraw/zinc/55/26/38/920552638.db2.gz IKSOOOFJWCMYMX-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001373780052 920562809 /nfs/dbraw/zinc/56/28/09/920562809.db2.gz LAPLNTYTZOXAHB-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001373770552 920563182 /nfs/dbraw/zinc/56/31/82/920563182.db2.gz YCGAPLYGRAZSTJ-SECBINFHSA-N 1 1 318.403 -1.206 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001373811869 920564316 /nfs/dbraw/zinc/56/43/16/920564316.db2.gz FWUVEDWMJHHHAD-VIFPVBQESA-N 1 1 324.341 -1.004 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001373961888 920574530 /nfs/dbraw/zinc/57/45/30/920574530.db2.gz USUPOXSUKUACHP-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001373962158 920574614 /nfs/dbraw/zinc/57/46/14/920574614.db2.gz WXVXKMGRRWHCBI-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004880 920576474 /nfs/dbraw/zinc/57/64/74/920576474.db2.gz LKUMQABFJAXVSK-ZJUUUORDSA-N 1 1 312.374 -1.317 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004880 920576485 /nfs/dbraw/zinc/57/64/85/920576485.db2.gz LKUMQABFJAXVSK-ZJUUUORDSA-N 1 1 312.374 -1.317 20 0 DAADMO Cc1noc(C[NH2+]C[C@H](C)CNC(=O)Cn2ncn(C)c2=O)n1 ZINC001374039617 920576910 /nfs/dbraw/zinc/57/69/10/920576910.db2.gz SYQTXBHGBYKDRI-VIFPVBQESA-N 1 1 323.357 -1.185 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001374011394 920577201 /nfs/dbraw/zinc/57/72/01/920577201.db2.gz GDEDVLZUEOQNAY-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374132059 920585853 /nfs/dbraw/zinc/58/58/53/920585853.db2.gz SVYFVELZVCANDH-JTQLQIEISA-N 1 1 324.403 -2.760 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374132059 920585868 /nfs/dbraw/zinc/58/58/68/920585868.db2.gz SVYFVELZVCANDH-JTQLQIEISA-N 1 1 324.403 -2.760 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001374128371 920586853 /nfs/dbraw/zinc/58/68/53/920586853.db2.gz IWEUDOWZGZSULF-GFCCVEGCSA-N 1 1 324.381 -1.228 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001374128371 920586863 /nfs/dbraw/zinc/58/68/63/920586863.db2.gz IWEUDOWZGZSULF-GFCCVEGCSA-N 1 1 324.381 -1.228 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)n1 ZINC001374142987 920588471 /nfs/dbraw/zinc/58/84/71/920588471.db2.gz JDRRBRLWFBMZMB-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)n1 ZINC001374142987 920588488 /nfs/dbraw/zinc/58/84/88/920588488.db2.gz JDRRBRLWFBMZMB-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO CNC(=O)CN1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140778 920590529 /nfs/dbraw/zinc/59/05/29/920590529.db2.gz IYHVPHYUYONNLL-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001374247459 920595297 /nfs/dbraw/zinc/59/52/97/920595297.db2.gz WBEIZPSZMPOFCL-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374272587 920597784 /nfs/dbraw/zinc/59/77/84/920597784.db2.gz XRTQZZJGHMAAEU-MWLCHTKSSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001374324157 920600680 /nfs/dbraw/zinc/60/06/80/920600680.db2.gz FEZPXOGVYWSZPB-NEPJUHHUSA-N 1 1 300.403 -1.124 20 0 DAADMO CNC(=O)C[N@@H+](C)CCC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001374401875 920604225 /nfs/dbraw/zinc/60/42/25/920604225.db2.gz FNBFBDBVPOCNAP-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001374413030 920604767 /nfs/dbraw/zinc/60/47/67/920604767.db2.gz ARUNOQTWSBOPJJ-SNVBAGLBSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374487416 920607442 /nfs/dbraw/zinc/60/74/42/920607442.db2.gz PIHGWIVAYKQIAJ-UWVGGRQHSA-N 1 1 300.359 -1.038 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001374487416 920607452 /nfs/dbraw/zinc/60/74/52/920607452.db2.gz PIHGWIVAYKQIAJ-UWVGGRQHSA-N 1 1 300.359 -1.038 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374487921 920608280 /nfs/dbraw/zinc/60/82/80/920608280.db2.gz SVFCYLQFLHUJGD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCNC(=O)NC ZINC001374487921 920608287 /nfs/dbraw/zinc/60/82/87/920608287.db2.gz SVFCYLQFLHUJGD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001374489860 920608699 /nfs/dbraw/zinc/60/86/99/920608699.db2.gz IIPQEIGYWBHMQZ-GHMZBOCLSA-N 1 1 313.402 -1.088 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001374502115 920608903 /nfs/dbraw/zinc/60/89/03/920608903.db2.gz KWMRNQBVNGGMSL-MRVPVSSYSA-N 1 1 316.362 -2.111 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001374502115 920608914 /nfs/dbraw/zinc/60/89/14/920608914.db2.gz KWMRNQBVNGGMSL-MRVPVSSYSA-N 1 1 316.362 -2.111 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001374486757 920609409 /nfs/dbraw/zinc/60/94/09/920609409.db2.gz LRSFUJJFMYHJLM-VHSXEESVSA-N 1 1 302.375 -1.023 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001374486757 920609422 /nfs/dbraw/zinc/60/94/22/920609422.db2.gz LRSFUJJFMYHJLM-VHSXEESVSA-N 1 1 302.375 -1.023 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374539848 920611261 /nfs/dbraw/zinc/61/12/61/920611261.db2.gz UQEHQBOLSGPEGZ-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374539848 920611272 /nfs/dbraw/zinc/61/12/72/920611272.db2.gz UQEHQBOLSGPEGZ-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO Cc1ccnn1CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001374539844 920611349 /nfs/dbraw/zinc/61/13/49/920611349.db2.gz UNODAQKKEWJOMG-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO Cc1ccnn1CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001374539844 920611359 /nfs/dbraw/zinc/61/13/59/920611359.db2.gz UNODAQKKEWJOMG-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374520485 920611954 /nfs/dbraw/zinc/61/19/54/920611954.db2.gz NUNNQZPZSAJDAK-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374520485 920611962 /nfs/dbraw/zinc/61/19/62/920611962.db2.gz NUNNQZPZSAJDAK-GHMZBOCLSA-N 1 1 311.386 -1.369 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001374512914 920612027 /nfs/dbraw/zinc/61/20/27/920612027.db2.gz KOUBSTUHAUIFGM-LBPRGKRZSA-N 1 1 316.402 -1.201 20 0 DAADMO CN(CC[N@H+](C)Cc1cnn(C)c1)C(=O)CN1CCNC(=O)C1 ZINC001374524577 920612132 /nfs/dbraw/zinc/61/21/32/920612132.db2.gz QDJYUSJAWZUSAI-UHFFFAOYSA-N 1 1 322.413 -1.258 20 0 DAADMO CN(CC[N@@H+](C)Cc1cnn(C)c1)C(=O)CN1CCNC(=O)C1 ZINC001374524577 920612142 /nfs/dbraw/zinc/61/21/42/920612142.db2.gz QDJYUSJAWZUSAI-UHFFFAOYSA-N 1 1 322.413 -1.258 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CC(=O)NC(N)=O)C1 ZINC001374535407 920613844 /nfs/dbraw/zinc/61/38/44/920613844.db2.gz FIKCLMZXRSPUPM-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001374550367 920615511 /nfs/dbraw/zinc/61/55/11/920615511.db2.gz MLMUYOFBLNBVKD-UHFFFAOYSA-N 1 1 301.391 -1.087 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374556233 920615810 /nfs/dbraw/zinc/61/58/10/920615810.db2.gz REYBGYSJPOPWGV-GHMZBOCLSA-N 1 1 313.402 -1.088 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)n1 ZINC001374569702 920615943 /nfs/dbraw/zinc/61/59/43/920615943.db2.gz AACWFDKHDCZHDK-NSHDSACASA-N 1 1 312.374 -1.691 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CCO ZINC001374549942 920616245 /nfs/dbraw/zinc/61/62/45/920616245.db2.gz JBCIRMYTLTWOAK-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO O=C(CCn1cncn1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001374584469 920622191 /nfs/dbraw/zinc/62/21/91/920622191.db2.gz XUYUUBDQSPRIHH-SECBINFHSA-N 1 1 311.371 -1.213 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001374583169 920623265 /nfs/dbraw/zinc/62/32/65/920623265.db2.gz JKCMXJDNYIUXMU-MRVPVSSYSA-N 1 1 307.397 -1.246 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374580630 920623580 /nfs/dbraw/zinc/62/35/80/920623580.db2.gz JZVFYQRHAIETDS-VIFPVBQESA-N 1 1 311.371 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2csnn2)C1 ZINC001374587443 920624482 /nfs/dbraw/zinc/62/44/82/920624482.db2.gz LTKPITLSUFZHMF-GHMZBOCLSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2csnn2)C1 ZINC001374587443 920624491 /nfs/dbraw/zinc/62/44/91/920624491.db2.gz LTKPITLSUFZHMF-GHMZBOCLSA-N 1 1 315.399 -1.565 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cccn1 ZINC001374588476 920624952 /nfs/dbraw/zinc/62/49/52/920624952.db2.gz SSYXLGTXCNXZKB-JQWIXIFHSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)no1 ZINC001374590615 920628844 /nfs/dbraw/zinc/62/88/44/920628844.db2.gz WLYRSSSZXHIMDV-LBPRGKRZSA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nnn1C ZINC001374588988 920629212 /nfs/dbraw/zinc/62/92/12/920629212.db2.gz OULCDBQCHGVZSS-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001374590278 920629299 /nfs/dbraw/zinc/62/92/99/920629299.db2.gz KONOAPOWPJNCQR-VHSXEESVSA-N 1 1 324.385 -1.227 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1)n1cncn1 ZINC001374593399 920631971 /nfs/dbraw/zinc/63/19/71/920631971.db2.gz HAFWCFGRCMVCNG-QWRGUYRKSA-N 1 1 305.342 -1.104 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n2cncn2)nn1 ZINC001374594851 920632846 /nfs/dbraw/zinc/63/28/46/920632846.db2.gz LTMHSEWHJFRIBV-CMPLNLGQSA-N 1 1 322.373 -1.283 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n2cncn2)nn1 ZINC001374594860 920633226 /nfs/dbraw/zinc/63/32/26/920633226.db2.gz LTMHSEWHJFRIBV-ZYHUDNBSSA-N 1 1 322.373 -1.283 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cnn1 ZINC001374596675 920634330 /nfs/dbraw/zinc/63/43/30/920634330.db2.gz AESNYVSNBQNZSO-LBPRGKRZSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn3c(n2)CCC3)nn1 ZINC001374604330 920640682 /nfs/dbraw/zinc/64/06/82/920640682.db2.gz LCCBUUSDADBIJJ-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001374604795 920641280 /nfs/dbraw/zinc/64/12/80/920641280.db2.gz SMDLJONWOYNBLO-JGVFFNPUSA-N 1 1 315.355 -1.478 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)s1 ZINC001374604798 920642482 /nfs/dbraw/zinc/64/24/82/920642482.db2.gz SMDLJONWOYNBLO-YUMQZZPRSA-N 1 1 315.355 -1.478 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CNC(=O)C2CC2)C1 ZINC001374606848 920642549 /nfs/dbraw/zinc/64/25/49/920642549.db2.gz IFXXXARAJQUOFS-LBPRGKRZSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001374611348 920643479 /nfs/dbraw/zinc/64/34/79/920643479.db2.gz JVEQKLYMVZGUJC-NWDGAFQWSA-N 1 1 321.381 -1.088 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001374613278 920645680 /nfs/dbraw/zinc/64/56/80/920645680.db2.gz CZEULHABTNZQQL-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cc2n(n1)CCO2 ZINC001374614828 920646714 /nfs/dbraw/zinc/64/67/14/920646714.db2.gz IJSZOMPPHXNBSF-SECBINFHSA-N 1 1 308.298 -1.461 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374613375 920646969 /nfs/dbraw/zinc/64/69/69/920646969.db2.gz ARNCZQXUSLDNDC-LBPRGKRZSA-N 1 1 321.385 -1.090 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001374616768 920650749 /nfs/dbraw/zinc/65/07/49/920650749.db2.gz RKARUQWHPIQPRN-VIFPVBQESA-N 1 1 322.373 -1.614 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001374623430 920653706 /nfs/dbraw/zinc/65/37/06/920653706.db2.gz VUDUNEJNXHBPLP-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001374623430 920653711 /nfs/dbraw/zinc/65/37/11/920653711.db2.gz VUDUNEJNXHBPLP-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)c2)nn1 ZINC001374626324 920657310 /nfs/dbraw/zinc/65/73/10/920657310.db2.gz UBRNGSFNGHZXMK-LBPRGKRZSA-N 1 1 320.353 -1.606 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cnn1C ZINC001374623736 920657508 /nfs/dbraw/zinc/65/75/08/920657508.db2.gz LDSCPPHTMKXMAY-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)nn1 ZINC001374623786 920658141 /nfs/dbraw/zinc/65/81/41/920658141.db2.gz FBLBAQSWMDEPOR-JQWIXIFHSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)c2)nn1 ZINC001374626313 920658196 /nfs/dbraw/zinc/65/81/96/920658196.db2.gz UBRNGSFNGHZXMK-GFCCVEGCSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](O)C[NH2+]Cc2coc(C3CC3)n2)n1 ZINC001374630972 920660372 /nfs/dbraw/zinc/66/03/72/920660372.db2.gz ACEHPTPGQBPLQN-JTQLQIEISA-N 1 1 321.341 -1.044 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1)c1ncccn1 ZINC001374633371 920662746 /nfs/dbraw/zinc/66/27/46/920662746.db2.gz NMXSGGFLTGABFY-IUCAKERBSA-N 1 1 306.330 -1.558 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1nnn(C)n1)c1ncccn1 ZINC001374633376 920663695 /nfs/dbraw/zinc/66/36/95/920663695.db2.gz NMXSGGFLTGABFY-RKDXNWHRSA-N 1 1 306.330 -1.558 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001374632923 920664007 /nfs/dbraw/zinc/66/40/07/920664007.db2.gz MFQWLADXCBRJMW-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2csc(=O)[nH]2)nn1 ZINC001374639790 920665853 /nfs/dbraw/zinc/66/58/53/920665853.db2.gz VCOXGYXZQBOLBD-QMMMGPOBSA-N 1 1 312.355 -1.142 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)[C@@H]1CNC(=O)N1 ZINC001374644371 920668160 /nfs/dbraw/zinc/66/81/60/920668160.db2.gz WPQMARXYNMTDNG-BQBZGAKWSA-N 1 1 300.344 -2.214 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 ZINC001374641312 920668298 /nfs/dbraw/zinc/66/82/98/920668298.db2.gz ZSHGSJCAGBWNFS-CMPLNLGQSA-N 1 1 301.322 -1.490 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)CCNC(N)=O)C1)C1CCC1 ZINC001374642952 920669104 /nfs/dbraw/zinc/66/91/04/920669104.db2.gz UTEXZYMPUADNJM-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 ZINC001374641313 920669322 /nfs/dbraw/zinc/66/93/22/920669322.db2.gz ZSHGSJCAGBWNFS-JQWIXIFHSA-N 1 1 301.322 -1.490 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)[C@H]1CNC(=O)N1 ZINC001374644373 920669421 /nfs/dbraw/zinc/66/94/21/920669421.db2.gz WPQMARXYNMTDNG-RNFRBKRXSA-N 1 1 300.344 -2.214 20 0 DAADMO C[C@@H](CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)NC(N)=O ZINC001374649667 920671295 /nfs/dbraw/zinc/67/12/95/920671295.db2.gz ORXQGONZXXGTFS-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001374650557 920672113 /nfs/dbraw/zinc/67/21/13/920672113.db2.gz KIJZBYFASBDUQY-KOLCDFICSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1cnn[nH]1)C(=O)N(C)C ZINC001374650557 920672124 /nfs/dbraw/zinc/67/21/24/920672124.db2.gz KIJZBYFASBDUQY-KOLCDFICSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1)C(=O)N(C)C ZINC001374646645 920672209 /nfs/dbraw/zinc/67/22/09/920672209.db2.gz QYJFKMIBORDECI-DTWKUNHWSA-N 1 1 313.358 -1.717 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)CCn1cnnn1 ZINC001374656635 920673917 /nfs/dbraw/zinc/67/39/17/920673917.db2.gz HGBIIPUHAYCPEQ-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1)c1nnnn1C ZINC001374653079 920674063 /nfs/dbraw/zinc/67/40/63/920674063.db2.gz PGRPWQSUQVSFKT-WPRPVWTQSA-N 1 1 308.346 -1.696 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001374653350 920674281 /nfs/dbraw/zinc/67/42/81/920674281.db2.gz PXKQBYRYFDBWOV-RYUDHWBXSA-N 1 1 309.370 -1.360 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001374653353 920674686 /nfs/dbraw/zinc/67/46/86/920674686.db2.gz PXKQBYRYFDBWOV-VXGBXAGGSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNCc1ccon1 ZINC001374655486 920674780 /nfs/dbraw/zinc/67/47/80/920674780.db2.gz JWJYEQUPLUIHQA-CYBMUJFWSA-N 1 1 312.370 -1.036 20 0 DAADMO Cc1cnoc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001374659630 920676996 /nfs/dbraw/zinc/67/69/96/920676996.db2.gz FVKUYIBWDNSYJC-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374660264 920677280 /nfs/dbraw/zinc/67/72/80/920677280.db2.gz ZURAPHQGGLNAQL-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001374660264 920677288 /nfs/dbraw/zinc/67/72/88/920677288.db2.gz ZURAPHQGGLNAQL-SNVBAGLBSA-N 1 1 313.358 -2.298 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2ncccn2)nn1 ZINC001374658026 920678590 /nfs/dbraw/zinc/67/85/90/920678590.db2.gz LJEWOFPNOUAKFD-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cc2nc[nH]n2)nc1 ZINC001374665063 920681577 /nfs/dbraw/zinc/68/15/77/920681577.db2.gz CPAQLJOIGFIYJN-JTQLQIEISA-N 1 1 305.342 -1.287 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1)c1ncccn1 ZINC001374666905 920681795 /nfs/dbraw/zinc/68/17/95/920681795.db2.gz QAXLGKFLYSSEHX-ZJUUUORDSA-N 1 1 305.342 -1.035 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1)c1ncccn1 ZINC001374666902 920682443 /nfs/dbraw/zinc/68/24/43/920682443.db2.gz QAXLGKFLYSSEHX-NXEZZACHSA-N 1 1 305.342 -1.035 20 0 DAADMO CCS(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374670545 920684087 /nfs/dbraw/zinc/68/40/87/920684087.db2.gz GUVSCKATSFHZRD-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374668509 920684275 /nfs/dbraw/zinc/68/42/75/920684275.db2.gz GJNJTZMDJZXXEF-LBPRGKRZSA-N 1 1 308.386 -1.522 20 0 DAADMO Cn1cccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)c1=O ZINC001374672052 920685082 /nfs/dbraw/zinc/68/50/82/920685082.db2.gz RLJPUXGVTNTEPX-JTQLQIEISA-N 1 1 307.310 -1.351 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1ccnc1)c1nnnn1C ZINC001374674653 920686779 /nfs/dbraw/zinc/68/67/79/920686779.db2.gz GCWDOROGUDPKCI-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1)c1nnnn1C ZINC001374674654 920687544 /nfs/dbraw/zinc/68/75/44/920687544.db2.gz GCWDOROGUDPKCI-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)no1 ZINC001374678862 920689806 /nfs/dbraw/zinc/68/98/06/920689806.db2.gz XAUGXHCFDKVEQH-LLVKDONJSA-N 1 1 323.353 -1.099 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001374679133 920689928 /nfs/dbraw/zinc/68/99/28/920689928.db2.gz PZHTXXRUEXIAPA-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO CCN1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001374686091 920693362 /nfs/dbraw/zinc/69/33/62/920693362.db2.gz SBPUFPRMWTWNLB-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001374687717 920693599 /nfs/dbraw/zinc/69/35/99/920693599.db2.gz IKTDJFKERLVHGM-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001374687194 920693682 /nfs/dbraw/zinc/69/36/82/920693682.db2.gz ZLFGONYMTGEVMI-VIFPVBQESA-N 1 1 322.412 -1.741 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC001374728973 920699216 /nfs/dbraw/zinc/69/92/16/920699216.db2.gz BMIHSBAMNPYVOE-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001374745905 920703479 /nfs/dbraw/zinc/70/34/79/920703479.db2.gz VMBJAVUWUQMLAA-UHFFFAOYSA-N 1 1 318.341 -1.405 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001374760990 920704302 /nfs/dbraw/zinc/70/43/02/920704302.db2.gz HGCFDEORTMIQAD-SSDOTTSWSA-N 1 1 302.360 -2.151 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001374774622 920706574 /nfs/dbraw/zinc/70/65/74/920706574.db2.gz JVSPSBJBHRSMAO-BDAKNGLRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001374782275 920709495 /nfs/dbraw/zinc/70/94/95/920709495.db2.gz QRBZMGRHLDKGSI-VXNVDRBHSA-N 1 1 309.330 -1.289 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001374782860 920710350 /nfs/dbraw/zinc/71/03/50/920710350.db2.gz DEZVEQUMUHQILU-NXEZZACHSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001374806178 920711854 /nfs/dbraw/zinc/71/18/54/920711854.db2.gz AOUIVTWHDBHEJE-VXNVDRBHSA-N 1 1 307.358 -1.042 20 0 DAADMO C[C@H](C[NH2+]Cc1nc(C2CC2)nn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374809769 920715893 /nfs/dbraw/zinc/71/58/93/920715893.db2.gz ZEOCBSBHUSJPPC-SCZZXKLOSA-N 1 1 321.385 -1.032 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374817237 920716119 /nfs/dbraw/zinc/71/61/19/920716119.db2.gz YIXSDNUGHDMQEI-VGMNWLOBSA-N 1 1 323.357 -1.432 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1cncn1 ZINC001374845486 920720962 /nfs/dbraw/zinc/72/09/62/920720962.db2.gz JRVNTZBEPMIGPZ-SNVBAGLBSA-N 1 1 320.357 -1.306 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)CN2CCOCC2=O)nn1 ZINC001374897005 920726102 /nfs/dbraw/zinc/72/61/02/920726102.db2.gz BFJYPKWJLPSWIN-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCOCC1=O ZINC001374899535 920726915 /nfs/dbraw/zinc/72/69/15/920726915.db2.gz PWHBCYMSZMNTGI-VIFPVBQESA-N 1 1 311.346 -2.337 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)c1ccn(C)c(=O)c1 ZINC001374904504 920727670 /nfs/dbraw/zinc/72/76/70/920727670.db2.gz SLPHHJXVDDMYPK-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001374922295 920729441 /nfs/dbraw/zinc/72/94/41/920729441.db2.gz MEIAWXAROMGFMP-VIFPVBQESA-N 1 1 310.358 -1.596 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN1CCNC(=O)C1)c1nnnn1C ZINC001374922707 920730177 /nfs/dbraw/zinc/73/01/77/920730177.db2.gz PKOYMXZGBZICAZ-VHSXEESVSA-N 1 1 324.389 -2.203 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCOCC1 ZINC001374995865 920734652 /nfs/dbraw/zinc/73/46/52/920734652.db2.gz WGFLRQKZBMVUKE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC001374995865 920734663 /nfs/dbraw/zinc/73/46/63/920734663.db2.gz WGFLRQKZBMVUKE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001375033537 920737946 /nfs/dbraw/zinc/73/79/46/920737946.db2.gz XSIDSORTSRFTKF-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001375033537 920737957 /nfs/dbraw/zinc/73/79/57/920737957.db2.gz XSIDSORTSRFTKF-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001375035167 920738914 /nfs/dbraw/zinc/73/89/14/920738914.db2.gz DZEVQIBOQVNZRM-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001375035167 920738923 /nfs/dbraw/zinc/73/89/23/920738923.db2.gz DZEVQIBOQVNZRM-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)Cn1ncnn1 ZINC001375035931 920739308 /nfs/dbraw/zinc/73/93/08/920739308.db2.gz HKURXVIXXSBKGB-NEPJUHHUSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001375021315 920739572 /nfs/dbraw/zinc/73/95/72/920739572.db2.gz QJXAACNWKZHQFG-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001375021315 920739586 /nfs/dbraw/zinc/73/95/86/920739586.db2.gz QJXAACNWKZHQFG-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032058 920739624 /nfs/dbraw/zinc/73/96/24/920739624.db2.gz PODWQQRJWHSGDF-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032058 920739647 /nfs/dbraw/zinc/73/96/47/920739647.db2.gz PODWQQRJWHSGDF-SFYZADRCSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001375033275 920739678 /nfs/dbraw/zinc/73/96/78/920739678.db2.gz WEBURNFCTOVODA-NXEZZACHSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001375033275 920739692 /nfs/dbraw/zinc/73/96/92/920739692.db2.gz WEBURNFCTOVODA-NXEZZACHSA-N 1 1 321.399 -1.034 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033557 920739850 /nfs/dbraw/zinc/73/98/50/920739850.db2.gz YAYTXLYFBVFHDG-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033557 920739865 /nfs/dbraw/zinc/73/98/65/920739865.db2.gz YAYTXLYFBVFHDG-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032060 920739953 /nfs/dbraw/zinc/73/99/53/920739953.db2.gz PODWQQRJWHSGDF-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)nn1 ZINC001375032060 920739967 /nfs/dbraw/zinc/73/99/67/920739967.db2.gz PODWQQRJWHSGDF-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375025900 920740606 /nfs/dbraw/zinc/74/06/06/920740606.db2.gz ZMUFQOCBFNPSSJ-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375025900 920740618 /nfs/dbraw/zinc/74/06/18/920740618.db2.gz ZMUFQOCBFNPSSJ-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042386 920741651 /nfs/dbraw/zinc/74/16/51/920741651.db2.gz DMORJPWXANOZFF-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001375042386 920741663 /nfs/dbraw/zinc/74/16/63/920741663.db2.gz DMORJPWXANOZFF-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375045853 920742707 /nfs/dbraw/zinc/74/27/07/920742707.db2.gz ILIWUWGSRCONID-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375045853 920742726 /nfs/dbraw/zinc/74/27/26/920742726.db2.gz ILIWUWGSRCONID-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001375055839 920743776 /nfs/dbraw/zinc/74/37/76/920743776.db2.gz PCNZBRPNHSAESB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001375055839 920743789 /nfs/dbraw/zinc/74/37/89/920743789.db2.gz PCNZBRPNHSAESB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001375066059 920743898 /nfs/dbraw/zinc/74/38/98/920743898.db2.gz UVSGRDDWBFKZRT-DTWKUNHWSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001375066059 920743908 /nfs/dbraw/zinc/74/39/08/920743908.db2.gz UVSGRDDWBFKZRT-DTWKUNHWSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001375059110 920743938 /nfs/dbraw/zinc/74/39/38/920743938.db2.gz ZXBRTKSJRBENGH-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001375059110 920743947 /nfs/dbraw/zinc/74/39/47/920743947.db2.gz ZXBRTKSJRBENGH-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001375062564 920744237 /nfs/dbraw/zinc/74/42/37/920744237.db2.gz HHVLTFUQRKVJDT-QMMMGPOBSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)CN1CCNC(=O)C1 ZINC001375091226 920746562 /nfs/dbraw/zinc/74/65/62/920746562.db2.gz VVUNUPWCTSSUPR-GFCCVEGCSA-N 1 1 323.401 -1.854 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375110806 920747007 /nfs/dbraw/zinc/74/70/07/920747007.db2.gz MCCAWSOXJKQIKH-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375110806 920747019 /nfs/dbraw/zinc/74/70/19/920747019.db2.gz MCCAWSOXJKQIKH-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001375125324 920748631 /nfs/dbraw/zinc/74/86/31/920748631.db2.gz CLMKHSYDNXMGDQ-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)CN1CCC(=O)NC1=O ZINC001375131072 920749901 /nfs/dbraw/zinc/74/99/01/920749901.db2.gz FYPGTGGDGIXNHX-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1ncc[nH]1 ZINC001375136442 920750260 /nfs/dbraw/zinc/75/02/60/920750260.db2.gz UDWNNOQCZNCZRW-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cc1ncc[nH]1 ZINC001375136442 920750277 /nfs/dbraw/zinc/75/02/77/920750277.db2.gz UDWNNOQCZNCZRW-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001375125311 920750996 /nfs/dbraw/zinc/75/09/96/920750996.db2.gz CLMKHSYDNXMGDQ-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001375154019 920751199 /nfs/dbraw/zinc/75/11/99/920751199.db2.gz POCPVPCOMAQBKT-DTWKUNHWSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001375154019 920751214 /nfs/dbraw/zinc/75/12/14/920751214.db2.gz POCPVPCOMAQBKT-DTWKUNHWSA-N 1 1 312.374 -1.799 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)Cc1cnn(C)c1 ZINC001375156776 920751468 /nfs/dbraw/zinc/75/14/68/920751468.db2.gz YSYUIGWNWOZURN-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cnn(C)c1 ZINC001375156776 920751482 /nfs/dbraw/zinc/75/14/82/920751482.db2.gz YSYUIGWNWOZURN-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(C)C ZINC001375154401 920751661 /nfs/dbraw/zinc/75/16/61/920751661.db2.gz OHKCXWKYXKCYHZ-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(C)C ZINC001375154401 920751673 /nfs/dbraw/zinc/75/16/73/920751673.db2.gz OHKCXWKYXKCYHZ-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)CS(C)(=O)=O)C2CC2)nn1 ZINC001375209147 920753677 /nfs/dbraw/zinc/75/36/77/920753677.db2.gz ZMBLHEURKLARPB-NSHDSACASA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1cnnn1C)C1CC1 ZINC001375227581 920755161 /nfs/dbraw/zinc/75/51/61/920755161.db2.gz OOILBKMXXIKGMV-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001375230894 920756555 /nfs/dbraw/zinc/75/65/55/920756555.db2.gz UAPMJWUWPJYPIG-NSHDSACASA-N 1 1 309.374 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001375267987 920759303 /nfs/dbraw/zinc/75/93/03/920759303.db2.gz CLVLGNBWKXBYJO-JTQLQIEISA-N 1 1 317.371 -1.397 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001375368953 920769891 /nfs/dbraw/zinc/76/98/91/920769891.db2.gz JBPQUPMXKXDBGZ-WDEREUQCSA-N 1 1 310.354 -1.408 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CCCO)C(N)=O ZINC001375349318 920769935 /nfs/dbraw/zinc/76/99/35/920769935.db2.gz NYBGEMVXFFRIMX-QWRGUYRKSA-N 1 1 300.359 -2.061 20 0 DAADMO CCn1cc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CC2)nn1 ZINC001375420320 920773587 /nfs/dbraw/zinc/77/35/87/920773587.db2.gz IWQRUJHTIVHBAT-UHFFFAOYSA-N 1 1 305.346 -1.277 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001375396069 920774117 /nfs/dbraw/zinc/77/41/17/920774117.db2.gz ARPRDDCXLZQFFX-RKDXNWHRSA-N 1 1 323.353 -1.344 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378107 920774841 /nfs/dbraw/zinc/77/48/41/920774841.db2.gz SKXWNHORSVILJT-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001375378107 920774855 /nfs/dbraw/zinc/77/48/55/920774855.db2.gz SKXWNHORSVILJT-MNOVXSKESA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001375457774 920778551 /nfs/dbraw/zinc/77/85/51/920778551.db2.gz BZWXIONGMIWRER-RYUDHWBXSA-N 1 1 314.386 -1.454 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001375480034 920779710 /nfs/dbraw/zinc/77/97/10/920779710.db2.gz HPOSKGHEHPIEAJ-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](O)COC ZINC001375476811 920779871 /nfs/dbraw/zinc/77/98/71/920779871.db2.gz PSXJBYVAWCRYKQ-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](O)COC ZINC001375476811 920779878 /nfs/dbraw/zinc/77/98/78/920779878.db2.gz PSXJBYVAWCRYKQ-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CCn1cc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)nn1 ZINC001375531642 920783068 /nfs/dbraw/zinc/78/30/68/920783068.db2.gz ZXZKMYMFFWOCCS-UHFFFAOYSA-N 1 1 320.357 -1.228 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001375591338 920786435 /nfs/dbraw/zinc/78/64/35/920786435.db2.gz VCWZHSACTJJJKA-GRYCIOLGSA-N 1 1 324.385 -1.104 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001375623580 920788666 /nfs/dbraw/zinc/78/86/66/920788666.db2.gz JDWUQJHWIWJZQS-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001375623580 920788680 /nfs/dbraw/zinc/78/86/80/920788680.db2.gz JDWUQJHWIWJZQS-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001375620330 920790156 /nfs/dbraw/zinc/79/01/56/920790156.db2.gz MBNOAOATUKQPOA-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC001375629809 920791812 /nfs/dbraw/zinc/79/18/12/920791812.db2.gz KATOCCSNIMWGOK-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnns2)C1 ZINC001375629809 920791822 /nfs/dbraw/zinc/79/18/22/920791822.db2.gz KATOCCSNIMWGOK-VIFPVBQESA-N 1 1 313.383 -1.078 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001375628093 920792292 /nfs/dbraw/zinc/79/22/92/920792292.db2.gz AVXBEAPMIZLHFK-LBPRGKRZSA-N 1 1 320.415 -2.043 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001375631525 920792308 /nfs/dbraw/zinc/79/23/08/920792308.db2.gz NPPDBHFWPKNTIO-JTQLQIEISA-N 1 1 322.369 -1.557 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001375631525 920792313 /nfs/dbraw/zinc/79/23/13/920792313.db2.gz NPPDBHFWPKNTIO-JTQLQIEISA-N 1 1 322.369 -1.557 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001375657797 920792339 /nfs/dbraw/zinc/79/23/39/920792339.db2.gz CTUUEHZTJCEBLV-ZYHUDNBSSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001375657797 920792349 /nfs/dbraw/zinc/79/23/49/920792349.db2.gz CTUUEHZTJCEBLV-ZYHUDNBSSA-N 1 1 324.385 -1.372 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001375694982 920796017 /nfs/dbraw/zinc/79/60/17/920796017.db2.gz NMUDLCITBFMHKH-JTQLQIEISA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001375666579 920797090 /nfs/dbraw/zinc/79/70/90/920797090.db2.gz TVKZNNXEOQZGJB-VXGBXAGGSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001375666579 920797102 /nfs/dbraw/zinc/79/71/02/920797102.db2.gz TVKZNNXEOQZGJB-VXGBXAGGSA-N 1 1 324.385 -1.523 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001375722338 920801507 /nfs/dbraw/zinc/80/15/07/920801507.db2.gz XGQMXWAKJVAVLO-LLVKDONJSA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001375743694 920801763 /nfs/dbraw/zinc/80/17/63/920801763.db2.gz MBQYMUGXCCUGHF-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO CCC[NH+]1CC(N(C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001375721022 920802912 /nfs/dbraw/zinc/80/29/12/920802912.db2.gz UCFNMBJJSGIOKJ-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001375843508 920807390 /nfs/dbraw/zinc/80/73/90/920807390.db2.gz BJLBEWJOZCVJAK-GWCFXTLKSA-N 1 1 309.374 -1.092 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)c1=O ZINC001375826984 920809787 /nfs/dbraw/zinc/80/97/87/920809787.db2.gz GBQZOLMSRZZQEC-AWEZNQCLSA-N 1 1 310.354 -1.880 20 0 DAADMO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+](CCN2CCNC2=O)C1 ZINC001375844085 920810139 /nfs/dbraw/zinc/81/01/39/920810139.db2.gz AYQRYPUNPOXENH-CQSZACIVSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001375844085 920810151 /nfs/dbraw/zinc/81/01/51/920810151.db2.gz AYQRYPUNPOXENH-CQSZACIVSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001375849493 920812553 /nfs/dbraw/zinc/81/25/53/920812553.db2.gz HVNVLLURIXPVSL-ZYHUDNBSSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001375849492 920812596 /nfs/dbraw/zinc/81/25/96/920812596.db2.gz HVNVLLURIXPVSL-PWSUYJOCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375995403 920815792 /nfs/dbraw/zinc/81/57/92/920815792.db2.gz IANPPMQTYINLDK-HZMBPMFUSA-N 1 1 313.354 -1.438 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccccn2)C1 ZINC001375993279 920816209 /nfs/dbraw/zinc/81/62/09/920816209.db2.gz QXUYDLXLYUDDKV-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccccn2)C1 ZINC001375993279 920816223 /nfs/dbraw/zinc/81/62/23/920816223.db2.gz QXUYDLXLYUDDKV-CQSZACIVSA-N 1 1 321.337 -1.557 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001375994842 920816944 /nfs/dbraw/zinc/81/69/44/920816944.db2.gz NDXJQTIGECLLLU-FZMZJTMJSA-N 1 1 324.385 -1.515 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375991076 920817268 /nfs/dbraw/zinc/81/72/68/920817268.db2.gz GSKAEVYOTDZSIZ-WCQYABFASA-N 1 1 303.359 -2.317 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375996701 920817962 /nfs/dbraw/zinc/81/79/62/920817962.db2.gz MJJVGTRRXBMLLN-BXKDBHETSA-N 1 1 311.346 -2.639 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cnn1C ZINC001375994417 920818020 /nfs/dbraw/zinc/81/80/20/920818020.db2.gz MWPSMUZEQJLHHO-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cnn1C ZINC001375994417 920818041 /nfs/dbraw/zinc/81/80/41/920818041.db2.gz MWPSMUZEQJLHHO-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001375999135 920819824 /nfs/dbraw/zinc/81/98/24/920819824.db2.gz RQTNLJUACLGCGA-QWHCGFSZSA-N 1 1 319.427 -1.159 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376000034 920820654 /nfs/dbraw/zinc/82/06/54/920820654.db2.gz XXWCBHRXMHAPFS-ZWNOBZJWSA-N 1 1 323.357 -2.543 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376005323 920821273 /nfs/dbraw/zinc/82/12/73/920821273.db2.gz KJTCIBKKIYNUJR-ZYHUDNBSSA-N 1 1 324.399 -2.409 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376005323 920821284 /nfs/dbraw/zinc/82/12/84/920821284.db2.gz KJTCIBKKIYNUJR-ZYHUDNBSSA-N 1 1 324.399 -2.409 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001376002782 920821320 /nfs/dbraw/zinc/82/13/20/920821320.db2.gz HVKLMECQLCCPFD-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001375999266 920821534 /nfs/dbraw/zinc/82/15/34/920821534.db2.gz VDPWFYGFNGRCRD-GWCFXTLKSA-N 1 1 323.357 -2.495 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375996719 920822039 /nfs/dbraw/zinc/82/20/39/920822039.db2.gz MJJVGTRRXBMLLN-JOYOIKCWSA-N 1 1 311.346 -2.639 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001376003639 920822494 /nfs/dbraw/zinc/82/24/94/920822494.db2.gz DHFYWEKOXOXEIH-SKDRFNHKSA-N 1 1 316.383 -1.288 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N(C)C)C2)n(C)n1 ZINC001376020602 920823134 /nfs/dbraw/zinc/82/31/34/920823134.db2.gz YKYGPVAZXCVXGL-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N(C)C)C2)n(C)n1 ZINC001376020602 920823146 /nfs/dbraw/zinc/82/31/46/920823146.db2.gz YKYGPVAZXCVXGL-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001376014906 920823473 /nfs/dbraw/zinc/82/34/73/920823473.db2.gz SBLQQTDRVJCQEZ-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001376014906 920823482 /nfs/dbraw/zinc/82/34/82/920823482.db2.gz SBLQQTDRVJCQEZ-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3COCCO3)C2)cn1 ZINC001376021652 920823947 /nfs/dbraw/zinc/82/39/47/920823947.db2.gz ZWIPLOPAUWIBHL-ZFWWWQNUSA-N 1 1 324.381 -1.112 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376028345 920824047 /nfs/dbraw/zinc/82/40/47/920824047.db2.gz BPYQOVRCCGTVHL-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001376030075 920824280 /nfs/dbraw/zinc/82/42/80/920824280.db2.gz DQOAKFJCOLGBKV-TVQRCGJNSA-N 1 1 315.374 -2.397 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001376010497 920825356 /nfs/dbraw/zinc/82/53/56/920825356.db2.gz OISXEASRCVCSCG-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001376010497 920825374 /nfs/dbraw/zinc/82/53/74/920825374.db2.gz OISXEASRCVCSCG-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ccn[nH]1 ZINC001376020210 920826057 /nfs/dbraw/zinc/82/60/57/920826057.db2.gz YRSWEEMFTKVXLP-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001376030067 920826210 /nfs/dbraw/zinc/82/62/10/920826210.db2.gz DQOAKFJCOLGBKV-NOZJJQNGSA-N 1 1 315.374 -2.397 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376010429 920826409 /nfs/dbraw/zinc/82/64/09/920826409.db2.gz NXEAMDCEBQUBKX-NOZJJQNGSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376010429 920826417 /nfs/dbraw/zinc/82/64/17/920826417.db2.gz NXEAMDCEBQUBKX-NOZJJQNGSA-N 1 1 300.359 -2.109 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3COC(=O)N3)C2)cn1 ZINC001376033904 920827522 /nfs/dbraw/zinc/82/75/22/920827522.db2.gz JPZILNXJNDWKIJ-SMDDNHRTSA-N 1 1 323.353 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001376034489 920827961 /nfs/dbraw/zinc/82/79/61/920827961.db2.gz JYRKZXFDFFSNBT-BMIGLBTASA-N 1 1 321.381 -1.132 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001376034489 920827979 /nfs/dbraw/zinc/82/79/79/920827979.db2.gz JYRKZXFDFFSNBT-BMIGLBTASA-N 1 1 321.381 -1.132 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001376039551 920828277 /nfs/dbraw/zinc/82/82/77/920828277.db2.gz RKYLOJWSZFYLCT-AWEZNQCLSA-N 1 1 324.385 -1.315 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001376039551 920828290 /nfs/dbraw/zinc/82/82/90/920828290.db2.gz RKYLOJWSZFYLCT-AWEZNQCLSA-N 1 1 324.385 -1.315 20 0 DAADMO O=C(Cn1ncnn1)NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001376038766 920828643 /nfs/dbraw/zinc/82/86/43/920828643.db2.gz SCSZTIVNNFBBCH-CQSZACIVSA-N 1 1 317.353 -1.179 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001376039951 920829558 /nfs/dbraw/zinc/82/95/58/920829558.db2.gz RMDQLMQRFBRTOC-GWCFXTLKSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001376039951 920829574 /nfs/dbraw/zinc/82/95/74/920829574.db2.gz RMDQLMQRFBRTOC-GWCFXTLKSA-N 1 1 308.342 -2.130 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376032669 920829872 /nfs/dbraw/zinc/82/98/72/920829872.db2.gz HSLWTNISJHPCBB-ZWNOBZJWSA-N 1 1 313.358 -2.011 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2(C)CC2)C1 ZINC001376031178 920830507 /nfs/dbraw/zinc/83/05/07/920830507.db2.gz FVSYGGYQISHWDO-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2(C)CC2)C1 ZINC001376031178 920830516 /nfs/dbraw/zinc/83/05/16/920830516.db2.gz FVSYGGYQISHWDO-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1)OC ZINC001376034612 920830632 /nfs/dbraw/zinc/83/06/32/920830632.db2.gz KVPZXFDMLSZTEL-RISCZKNCSA-N 1 1 316.402 -1.107 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2)C1 ZINC001376037263 920830729 /nfs/dbraw/zinc/83/07/29/920830729.db2.gz QLUWVHDIEKTVGQ-GXTWGEPZSA-N 1 1 310.354 -1.350 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001376030992 920830932 /nfs/dbraw/zinc/83/09/32/920830932.db2.gz DXLOEKGXJRIEGK-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001376043393 920832278 /nfs/dbraw/zinc/83/22/78/920832278.db2.gz DPUNXCNQFFIYDT-YGRLFVJLSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001376043393 920832292 /nfs/dbraw/zinc/83/22/92/920832292.db2.gz DPUNXCNQFFIYDT-YGRLFVJLSA-N 1 1 312.370 -1.917 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001376040861 920832396 /nfs/dbraw/zinc/83/23/96/920832396.db2.gz VEKJOKAFBSBVAE-IUODEOHRSA-N 1 1 312.414 -1.101 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)c1=O ZINC001376047307 920833296 /nfs/dbraw/zinc/83/32/96/920833296.db2.gz IZEXRVMEGZEMIX-OAHLLOKOSA-N 1 1 323.397 -1.065 20 0 DAADMO C[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376042117 920833997 /nfs/dbraw/zinc/83/39/97/920833997.db2.gz KNENIFVFRIWMJH-NHYWBVRUSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376047874 920834092 /nfs/dbraw/zinc/83/40/92/920834092.db2.gz PQCPIYPJFAFGFA-DOMZBBRYSA-N 1 1 313.398 -1.019 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001376045709 920834524 /nfs/dbraw/zinc/83/45/24/920834524.db2.gz KOTQOCDUNHIFJQ-CQSZACIVSA-N 1 1 307.354 -1.450 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001376045709 920834536 /nfs/dbraw/zinc/83/45/36/920834536.db2.gz KOTQOCDUNHIFJQ-CQSZACIVSA-N 1 1 307.354 -1.450 20 0 DAADMO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001376046342 920834590 /nfs/dbraw/zinc/83/45/90/920834590.db2.gz DNTQHUDLWFSKRQ-HIFRSBDPSA-N 1 1 322.413 -1.038 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001376042924 920836051 /nfs/dbraw/zinc/83/60/51/920836051.db2.gz BNXKDRFKYSZUCS-AWEZNQCLSA-N 1 1 318.337 -1.439 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncnc3[nH]ccc32)C1 ZINC001376042924 920836070 /nfs/dbraw/zinc/83/60/70/920836070.db2.gz BNXKDRFKYSZUCS-AWEZNQCLSA-N 1 1 318.337 -1.439 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376042869 920836126 /nfs/dbraw/zinc/83/61/26/920836126.db2.gz BDGKMHRBIYNGAH-UKRRQHHQSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376040979 920836238 /nfs/dbraw/zinc/83/62/38/920836238.db2.gz WADKLMULAZKRLU-LBPRGKRZSA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376040979 920836255 /nfs/dbraw/zinc/83/62/55/920836255.db2.gz WADKLMULAZKRLU-LBPRGKRZSA-N 1 1 301.347 -2.656 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001376041224 920836287 /nfs/dbraw/zinc/83/62/87/920836287.db2.gz ZDERTYAQNRNCIW-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001376061804 920837170 /nfs/dbraw/zinc/83/71/70/920837170.db2.gz ROYAUFGLKRFOCX-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376047878 920837380 /nfs/dbraw/zinc/83/73/80/920837380.db2.gz PQCPIYPJFAFGFA-WFASDCNBSA-N 1 1 313.398 -1.019 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001376050238 920837892 /nfs/dbraw/zinc/83/78/92/920837892.db2.gz NPSXPSIWTRKCLQ-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376065410 920838308 /nfs/dbraw/zinc/83/83/08/920838308.db2.gz GVDFDICGSYWQBL-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048116 920839034 /nfs/dbraw/zinc/83/90/34/920839034.db2.gz ITNSGDAQVIXEBZ-GZBFAFLISA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048116 920839045 /nfs/dbraw/zinc/83/90/45/920839045.db2.gz ITNSGDAQVIXEBZ-GZBFAFLISA-N 1 1 315.414 -1.359 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001376052013 920839214 /nfs/dbraw/zinc/83/92/14/920839214.db2.gz OIPGXFWHLXMANC-CQSZACIVSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(C)C)C1 ZINC001376052013 920839228 /nfs/dbraw/zinc/83/92/28/920839228.db2.gz OIPGXFWHLXMANC-CQSZACIVSA-N 1 1 324.385 -1.196 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2C)C1 ZINC001376051322 920839290 /nfs/dbraw/zinc/83/92/90/920839290.db2.gz WLGFKWNSVWZWLP-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001376049833 920840440 /nfs/dbraw/zinc/84/04/40/920840440.db2.gz MJBFYUYNXSAJHU-HNNXBMFYSA-N 1 1 323.397 -1.050 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c(C)nn(C)c2C)C1 ZINC001376049833 920840445 /nfs/dbraw/zinc/84/04/45/920840445.db2.gz MJBFYUYNXSAJHU-HNNXBMFYSA-N 1 1 323.397 -1.050 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376058697 920840889 /nfs/dbraw/zinc/84/08/89/920840889.db2.gz ZIRCFLYFLSGBIA-CQSZACIVSA-N 1 1 312.370 -1.022 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376057731 920841019 /nfs/dbraw/zinc/84/10/19/920841019.db2.gz XLTVLGXWGCFZPW-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376057731 920841033 /nfs/dbraw/zinc/84/10/33/920841033.db2.gz XLTVLGXWGCFZPW-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CC(=O)NC(N)=O)C2)C1 ZINC001376071210 920842298 /nfs/dbraw/zinc/84/22/98/920842298.db2.gz KRDNFXCXHZRXHM-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376077301 920844395 /nfs/dbraw/zinc/84/43/95/920844395.db2.gz HIBCCIHWVVUVON-AWEZNQCLSA-N 1 1 311.338 -1.045 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376067368 920845059 /nfs/dbraw/zinc/84/50/59/920845059.db2.gz YWRZREBYEACRFJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376067368 920845075 /nfs/dbraw/zinc/84/50/75/920845075.db2.gz YWRZREBYEACRFJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1C ZINC001376075189 920845387 /nfs/dbraw/zinc/84/53/87/920845387.db2.gz DIUSAJXGONIBJW-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1C ZINC001376075189 920845404 /nfs/dbraw/zinc/84/54/04/920845404.db2.gz DIUSAJXGONIBJW-IAQYHMDHSA-N 1 1 321.381 -1.216 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376086755 920846367 /nfs/dbraw/zinc/84/63/67/920846367.db2.gz BOQKGTIFZNZAJV-SUNKGSAMSA-N 1 1 315.370 -2.175 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376087261 920846818 /nfs/dbraw/zinc/84/68/18/920846818.db2.gz DAXCXXVSLKQUQW-HNNXBMFYSA-N 1 1 323.397 -1.098 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376087261 920846835 /nfs/dbraw/zinc/84/68/35/920846835.db2.gz DAXCXXVSLKQUQW-HNNXBMFYSA-N 1 1 323.397 -1.098 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001376086757 920846877 /nfs/dbraw/zinc/84/68/77/920846877.db2.gz BOQKGTIFZNZAJV-UHIISALHSA-N 1 1 315.370 -2.175 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376086541 920847183 /nfs/dbraw/zinc/84/71/83/920847183.db2.gz GIYYTINNBREBSF-ZDUSSCGKSA-N 1 1 313.358 -2.123 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN([C@H]2CCNC2=O)C1 ZINC001376085023 920847268 /nfs/dbraw/zinc/84/72/68/920847268.db2.gz BKWQGBUJHUPQAE-SWLSCSKDSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001376084733 920847796 /nfs/dbraw/zinc/84/77/96/920847796.db2.gz AOIKZHXGWMPLCW-HNNXBMFYSA-N 1 1 323.397 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001376084733 920847810 /nfs/dbraw/zinc/84/78/10/920847810.db2.gz AOIKZHXGWMPLCW-HNNXBMFYSA-N 1 1 323.397 -1.014 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376088538 920848176 /nfs/dbraw/zinc/84/81/76/920848176.db2.gz CHTOLLZBRGAJEO-AWEZNQCLSA-N 1 1 308.338 -1.661 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cnccc2=O)C1 ZINC001376088724 920848366 /nfs/dbraw/zinc/84/83/66/920848366.db2.gz KTVGENORDYPXBI-WFASDCNBSA-N 1 1 324.381 -1.433 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001376085759 920848452 /nfs/dbraw/zinc/84/84/52/920848452.db2.gz CMDNJBYYXQKRDF-HZMBPMFUSA-N 1 1 322.369 -1.821 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nccn3ccnc23)C1 ZINC001376081403 920849540 /nfs/dbraw/zinc/84/95/40/920849540.db2.gz QAZFGQDKPVRWPM-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccn3ccnc23)C1 ZINC001376081403 920849549 /nfs/dbraw/zinc/84/95/49/920849549.db2.gz QAZFGQDKPVRWPM-CQSZACIVSA-N 1 1 318.337 -1.619 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001376089837 920850345 /nfs/dbraw/zinc/85/03/45/920850345.db2.gz MLHHKBUYHIEQMO-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001376089837 920850352 /nfs/dbraw/zinc/85/03/52/920850352.db2.gz MLHHKBUYHIEQMO-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001376097209 920850669 /nfs/dbraw/zinc/85/06/69/920850669.db2.gz OZFDGAXLBPIVOZ-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001376097209 920850679 /nfs/dbraw/zinc/85/06/79/920850679.db2.gz OZFDGAXLBPIVOZ-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001376091378 920851082 /nfs/dbraw/zinc/85/10/82/920851082.db2.gz PHAKQFIVPHMTJO-CYBMUJFWSA-N 1 1 319.427 -1.710 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001376093649 920852679 /nfs/dbraw/zinc/85/26/79/920852679.db2.gz SDWURWKYKBLKCV-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO Cn1ccc(=O)c(C(=O)NCCN2CC[NH+](CCO)CC2)c1 ZINC001376089495 920852738 /nfs/dbraw/zinc/85/27/38/920852738.db2.gz BEHHCNBNQYJVDR-UHFFFAOYSA-N 1 1 308.382 -1.275 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001376093165 920852827 /nfs/dbraw/zinc/85/28/27/920852827.db2.gz PMLSYNQZELXIPN-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001376093165 920852844 /nfs/dbraw/zinc/85/28/44/920852844.db2.gz PMLSYNQZELXIPN-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001376093718 920853424 /nfs/dbraw/zinc/85/34/24/920853424.db2.gz KPYOXEXFJGYVDU-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCN2CCCC2=O)C1 ZINC001376093718 920853436 /nfs/dbraw/zinc/85/34/36/920853436.db2.gz KPYOXEXFJGYVDU-CQSZACIVSA-N 1 1 312.370 -1.963 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001376089118 920853649 /nfs/dbraw/zinc/85/36/49/920853649.db2.gz BFQSHCGPMOMTAT-YMTOWFKASA-N 1 1 323.353 -1.097 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001376089118 920853660 /nfs/dbraw/zinc/85/36/60/920853660.db2.gz BFQSHCGPMOMTAT-YMTOWFKASA-N 1 1 323.353 -1.097 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cncn3)C2)n1 ZINC001376090099 920853718 /nfs/dbraw/zinc/85/37/18/920853718.db2.gz FFSTVSDGBQQUAN-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001376091367 920854342 /nfs/dbraw/zinc/85/43/42/920854342.db2.gz LUSHWVYYHQNYET-FZMZJTMJSA-N 1 1 300.403 -1.245 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376103355 920856194 /nfs/dbraw/zinc/85/61/94/920856194.db2.gz ZKAVROAVDNODHY-ONGXEEELSA-N 1 1 309.388 -2.531 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102951 920857297 /nfs/dbraw/zinc/85/72/97/920857297.db2.gz VDNVGDQARSJEHO-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102951 920857308 /nfs/dbraw/zinc/85/73/08/920857308.db2.gz VDNVGDQARSJEHO-BXUZGUMPSA-N 1 1 305.338 -1.468 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001376103746 920857413 /nfs/dbraw/zinc/85/74/13/920857413.db2.gz WPLZRLUUMMHCBQ-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001376103746 920857421 /nfs/dbraw/zinc/85/74/21/920857421.db2.gz WPLZRLUUMMHCBQ-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376102236 920857547 /nfs/dbraw/zinc/85/75/47/920857547.db2.gz YLEHJBPYIDQEAR-GXTWGEPZSA-N 1 1 301.387 -1.748 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376103352 920858620 /nfs/dbraw/zinc/85/86/20/920858620.db2.gz ZKAVROAVDNODHY-GXSJLCMTSA-N 1 1 309.388 -2.531 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376115094 920861283 /nfs/dbraw/zinc/86/12/83/920861283.db2.gz CMPGIOPXANCCGQ-IINYFYTJSA-N 1 1 323.353 -1.225 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376115094 920861294 /nfs/dbraw/zinc/86/12/94/920861294.db2.gz CMPGIOPXANCCGQ-IINYFYTJSA-N 1 1 323.353 -1.225 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001376117121 920861910 /nfs/dbraw/zinc/86/19/10/920861910.db2.gz GTVZPMPFCBPWGB-YGRLFVJLSA-N 1 1 314.386 -1.541 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376115098 920862193 /nfs/dbraw/zinc/86/21/93/920862193.db2.gz CMPGIOPXANCCGQ-QMTHXVAHSA-N 1 1 323.353 -1.225 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376115098 920862206 /nfs/dbraw/zinc/86/22/06/920862206.db2.gz CMPGIOPXANCCGQ-QMTHXVAHSA-N 1 1 323.353 -1.225 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001376120596 920862461 /nfs/dbraw/zinc/86/24/61/920862461.db2.gz ORNBRUVPVOWJAQ-AAEUAGOBSA-N 1 1 322.427 -1.398 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001376120596 920862481 /nfs/dbraw/zinc/86/24/81/920862481.db2.gz ORNBRUVPVOWJAQ-AAEUAGOBSA-N 1 1 322.427 -1.398 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376126407 920864691 /nfs/dbraw/zinc/86/46/91/920864691.db2.gz XXJYZMCMGFUEGS-ZYHUDNBSSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001376126687 920864911 /nfs/dbraw/zinc/86/49/11/920864911.db2.gz ZVLRUAREBLVNAV-GXFFZTMASA-N 1 1 314.342 -1.448 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001376128132 920866795 /nfs/dbraw/zinc/86/67/95/920866795.db2.gz LUCAGLVLNVEMEA-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001376128132 920866806 /nfs/dbraw/zinc/86/68/06/920866806.db2.gz LUCAGLVLNVEMEA-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001376136116 920868071 /nfs/dbraw/zinc/86/80/71/920868071.db2.gz YUSSEUILSINLBM-QWRGUYRKSA-N 1 1 313.358 -2.220 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001376148215 920876313 /nfs/dbraw/zinc/87/63/13/920876313.db2.gz GWWWHUDJGTZRCD-NSHDSACASA-N 1 1 305.346 -1.455 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001376168107 920879982 /nfs/dbraw/zinc/87/99/82/920879982.db2.gz FWVZXHKVJWKANO-UHFFFAOYSA-N 1 1 310.358 -1.804 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376171614 920883712 /nfs/dbraw/zinc/88/37/12/920883712.db2.gz XPRKRPQVAVUOFT-FRRDWIJNSA-N 1 1 315.414 -1.503 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001376221684 920891659 /nfs/dbraw/zinc/89/16/59/920891659.db2.gz HOHQOHQQDUASOG-GFCCVEGCSA-N 1 1 310.398 -1.478 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001376211190 920892576 /nfs/dbraw/zinc/89/25/76/920892576.db2.gz OSDYKAQTQQXEMM-MNOVXSKESA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+][C@H](C)c1nnnn1C)C1CC1 ZINC001376224064 920896589 /nfs/dbraw/zinc/89/65/89/920896589.db2.gz IYESJEBNGWRBPB-PSASIEDQSA-N 1 1 324.389 -1.316 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1CNC(=O)N1 ZINC001376232171 920898095 /nfs/dbraw/zinc/89/80/95/920898095.db2.gz MGZZCDLNMZRUTM-WDEREUQCSA-N 1 1 312.370 -1.743 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@H]3C[C@]34CCOC4)C2)n1 ZINC001376232216 920898706 /nfs/dbraw/zinc/89/87/06/920898706.db2.gz ZOMHEFSGCWXGGK-MFKMUULPSA-N 1 1 322.369 -1.587 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](C[C@H]3C[C@@]34CCOC4)C2)n1 ZINC001376232217 920900069 /nfs/dbraw/zinc/90/00/69/920900069.db2.gz ZOMHEFSGCWXGGK-ZWNOBZJWSA-N 1 1 322.369 -1.587 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]([NH2+]Cc2ncnn2C)C2CC2)n1 ZINC001376241023 920902797 /nfs/dbraw/zinc/90/27/97/920902797.db2.gz KMOQJCFYHVUODR-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)c2nnn(C)n2)C2CC2)n1 ZINC001376243304 920902941 /nfs/dbraw/zinc/90/29/41/920902941.db2.gz NLLANVCHRZWEJA-SNVBAGLBSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1cc(C(=O)NCC2(O)C[NH+](CC3CC3)C2)c(=O)n(C)c1=O ZINC001376254515 920906350 /nfs/dbraw/zinc/90/63/50/920906350.db2.gz QQNDELJSPFNRCV-UHFFFAOYSA-N 1 1 322.365 -1.730 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001376280985 920911452 /nfs/dbraw/zinc/91/14/52/920911452.db2.gz IBNNFBJAXTZUHQ-NSHDSACASA-N 1 1 324.385 -1.763 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376284439 920911685 /nfs/dbraw/zinc/91/16/85/920911685.db2.gz NFZCFHXZSBWJFT-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001376290810 920911831 /nfs/dbraw/zinc/91/18/31/920911831.db2.gz QXHGEOKUDWEEJD-NEPJUHHUSA-N 1 1 310.398 -1.668 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001376285363 920911896 /nfs/dbraw/zinc/91/18/96/920911896.db2.gz CIMPCMVPCWONDP-ZDUSSCGKSA-N 1 1 312.414 -1.026 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376291709 920912133 /nfs/dbraw/zinc/91/21/33/920912133.db2.gz XLCVMKWYPOEEOU-NSHDSACASA-N 1 1 308.386 -1.570 20 0 DAADMO CCCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376291557 920912305 /nfs/dbraw/zinc/91/23/05/920912305.db2.gz WEWDIEUQGBFURX-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCO)C2)c1=O ZINC001376279501 920912615 /nfs/dbraw/zinc/91/26/15/920912615.db2.gz FOYQMUVTZCAHOQ-LBPRGKRZSA-N 1 1 311.386 -1.256 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001376291706 920913157 /nfs/dbraw/zinc/91/31/57/920913157.db2.gz XLCBVSAAVPXNNR-LBPRGKRZSA-N 1 1 308.386 -1.607 20 0 DAADMO CN1CC[C@@H](N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001376290813 920913601 /nfs/dbraw/zinc/91/36/01/920913601.db2.gz QXHGEOKUDWEEJD-VXGBXAGGSA-N 1 1 310.398 -1.668 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376279184 920913659 /nfs/dbraw/zinc/91/36/59/920913659.db2.gz UEQMWHSRRXPNKT-CHWSQXEVSA-N 1 1 315.414 -1.502 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001376296577 920914314 /nfs/dbraw/zinc/91/43/14/920914314.db2.gz OOJHGUBLWRAANY-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O ZINC001376300937 920915548 /nfs/dbraw/zinc/91/55/48/920915548.db2.gz CHLCJHBPEHUAQH-TUAOUCFPSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)S(C)(=O)=O ZINC001376300617 920915629 /nfs/dbraw/zinc/91/56/29/920915629.db2.gz ZBGZEUVEUFIGSF-UTUOFQBUSA-N 1 1 319.427 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001376302402 920919467 /nfs/dbraw/zinc/91/94/67/920919467.db2.gz AEONPUGXEFBXQU-OUAUKWLOSA-N 1 1 310.358 -1.494 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001376302402 920919477 /nfs/dbraw/zinc/91/94/77/920919477.db2.gz AEONPUGXEFBXQU-OUAUKWLOSA-N 1 1 310.358 -1.494 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001376341108 920920884 /nfs/dbraw/zinc/92/08/84/920920884.db2.gz BPXPYLDISYTZQU-VIFPVBQESA-N 1 1 322.373 -1.243 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376333754 920922749 /nfs/dbraw/zinc/92/27/49/920922749.db2.gz RUPLAIOQQSMRCW-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001376365296 920925490 /nfs/dbraw/zinc/92/54/90/920925490.db2.gz SGTMTHLIPAJYCX-VHSXEESVSA-N 1 1 324.389 -1.547 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001376370902 920928339 /nfs/dbraw/zinc/92/83/39/920928339.db2.gz ZRGXSAWZDFBFID-GMTAPVOTSA-N 1 1 311.386 -1.227 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CNC(=O)NC)C2)n1 ZINC001376367646 920928998 /nfs/dbraw/zinc/92/89/98/920928998.db2.gz CLAHEEWRQDJMSZ-MGCOHNPYSA-N 1 1 309.374 -1.036 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001376383042 920930069 /nfs/dbraw/zinc/93/00/69/920930069.db2.gz RPYKLRJVDGMBSG-XEZLXBQYSA-N 1 1 308.382 -1.210 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCO3)C[C@H]2C1 ZINC001376381492 920930104 /nfs/dbraw/zinc/93/01/04/920930104.db2.gz JBRGMJSGQVNONO-CRWXNKLISA-N 1 1 314.382 -1.201 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001376421100 920931829 /nfs/dbraw/zinc/93/18/29/920931829.db2.gz XNFABIZQAAXLSY-HRDYMLBCSA-N 1 1 324.341 -2.747 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001376409545 920932417 /nfs/dbraw/zinc/93/24/17/920932417.db2.gz FZMKEMJOKUTIIK-TXEJJXNPSA-N 1 1 319.427 -1.350 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001376421112 920932543 /nfs/dbraw/zinc/93/25/43/920932543.db2.gz XNFABIZQAAXLSY-YIZRAAEISA-N 1 1 324.341 -2.747 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)CC(N)=O)C[C@H]2C1 ZINC001376405593 920932981 /nfs/dbraw/zinc/93/29/81/920932981.db2.gz BHWOCMOOXOGWHA-NDBYEHHHSA-N 1 1 313.398 -1.105 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@H]2C1 ZINC001376413045 920933405 /nfs/dbraw/zinc/93/34/05/920933405.db2.gz XEDODRDEDFYJDO-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@H]2C1 ZINC001376413045 920933418 /nfs/dbraw/zinc/93/34/18/920933418.db2.gz XEDODRDEDFYJDO-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001376412955 920933564 /nfs/dbraw/zinc/93/35/64/920933564.db2.gz RCCFGTUUCHXOFS-MXWKQRLJSA-N 1 1 320.415 -2.189 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001376418980 920933867 /nfs/dbraw/zinc/93/38/67/920933867.db2.gz HKIZRKHSDVWHNZ-DCAQKATOSA-N 1 1 305.342 -1.087 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001376416758 920933932 /nfs/dbraw/zinc/93/39/32/920933932.db2.gz WTIZXUVHRXPYPT-DTORHVGOSA-N 1 1 304.372 -2.589 20 0 DAADMO COCCC(=O)NC[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001376437561 920935154 /nfs/dbraw/zinc/93/51/54/920935154.db2.gz HPNXFTZMOJRZFH-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376435229 920935735 /nfs/dbraw/zinc/93/57/35/920935735.db2.gz DEZVLGKOQJQPLJ-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)OC)C1 ZINC001376454633 920938588 /nfs/dbraw/zinc/93/85/88/920938588.db2.gz IJGZNUOZFWMNAG-YRGRVCCFSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)OC)C1 ZINC001376454629 920939032 /nfs/dbraw/zinc/93/90/32/920939032.db2.gz IJGZNUOZFWMNAG-SCRDCRAPSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001376455424 920939190 /nfs/dbraw/zinc/93/91/90/920939190.db2.gz IETNSGNHHMKJEK-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CN2CCCC2=O)C1 ZINC001376451951 920940299 /nfs/dbraw/zinc/94/02/99/920940299.db2.gz SWQZQFSLETVANV-WFASDCNBSA-N 1 1 313.398 -1.067 20 0 DAADMO CN(CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C1)S(C)(=O)=O ZINC001376459923 920942876 /nfs/dbraw/zinc/94/28/76/920942876.db2.gz ANPOFFJXGRRYPF-DTORHVGOSA-N 1 1 316.387 -1.454 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1CCCC(=O)N1 ZINC001376464809 920943403 /nfs/dbraw/zinc/94/34/03/920943403.db2.gz LRCUTKXVMNHVQT-DOMZBBRYSA-N 1 1 313.398 -1.019 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001376469702 920944301 /nfs/dbraw/zinc/94/43/01/920944301.db2.gz NUAAOWXQCJOOFS-SECBINFHSA-N 1 1 314.342 -1.411 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)NC1CCOCC1 ZINC001376476038 920948242 /nfs/dbraw/zinc/94/82/42/920948242.db2.gz BZWPXWJOXHCXKW-PHIMTYICSA-N 1 1 322.369 -1.050 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)NC1CCOCC1 ZINC001376476038 920948252 /nfs/dbraw/zinc/94/82/52/920948252.db2.gz BZWPXWJOXHCXKW-PHIMTYICSA-N 1 1 322.369 -1.050 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001376487520 920950992 /nfs/dbraw/zinc/95/09/92/920950992.db2.gz IPECTNJUWHWAPX-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001376484782 920951640 /nfs/dbraw/zinc/95/16/40/920951640.db2.gz UEPIHGJRHWAVCI-SWLSCSKDSA-N 1 1 312.414 -1.243 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001376491581 920953060 /nfs/dbraw/zinc/95/30/60/920953060.db2.gz PWNUNYZNOBVIRN-HNNXBMFYSA-N 1 1 313.398 -1.066 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001376490377 920953754 /nfs/dbraw/zinc/95/37/54/920953754.db2.gz KWBFRLXMJMEMRL-SNVBAGLBSA-N 1 1 313.362 -2.393 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001376493328 920954445 /nfs/dbraw/zinc/95/44/45/920954445.db2.gz ZWWIHZXYENBPOX-VXGBXAGGSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnn(C)c2)C1 ZINC001376497105 920956223 /nfs/dbraw/zinc/95/62/23/920956223.db2.gz IFWKZGXCNDKRCB-YPMHNXCESA-N 1 1 323.397 -1.031 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001376497628 920958248 /nfs/dbraw/zinc/95/82/48/920958248.db2.gz AGEFRVAYKMVXFA-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cnn1C ZINC001376499434 920959171 /nfs/dbraw/zinc/95/91/71/920959171.db2.gz MZWMNGOOLUOPOW-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001376505530 920960616 /nfs/dbraw/zinc/96/06/16/920960616.db2.gz WMRWVBYZCOKTAQ-CQSZACIVSA-N 1 1 324.385 -1.272 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001376507155 920961075 /nfs/dbraw/zinc/96/10/75/920961075.db2.gz KFTRFHCPTHNUGS-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001376519601 920963022 /nfs/dbraw/zinc/96/30/22/920963022.db2.gz XBUCPMXACMVLEO-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001376524338 920968321 /nfs/dbraw/zinc/96/83/21/920968321.db2.gz CGIKMHYUVWVKBG-GFCCVEGCSA-N 1 1 321.381 -1.053 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001376524338 920968333 /nfs/dbraw/zinc/96/83/33/920968333.db2.gz CGIKMHYUVWVKBG-GFCCVEGCSA-N 1 1 321.381 -1.053 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001376543439 920972433 /nfs/dbraw/zinc/97/24/33/920972433.db2.gz AXUFLIBVHUFBAB-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO O=C(CCc1nc[nH]n1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001376539160 920973561 /nfs/dbraw/zinc/97/35/61/920973561.db2.gz LPKATFGUOMLBJH-SNVBAGLBSA-N 1 1 310.358 -1.964 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001376543434 920973870 /nfs/dbraw/zinc/97/38/70/920973870.db2.gz AXUFLIBVHUFBAB-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001376549468 920977917 /nfs/dbraw/zinc/97/79/17/920977917.db2.gz MBRNKVBVWPUBBI-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cn(C)cn2)C1 ZINC001376567031 920981572 /nfs/dbraw/zinc/98/15/72/920981572.db2.gz CBEVHTNXJHZECQ-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nnn1C ZINC001376555297 920981824 /nfs/dbraw/zinc/98/18/24/920981824.db2.gz GXJFIGCMDFYRDO-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC001376569396 920982743 /nfs/dbraw/zinc/98/27/43/920982743.db2.gz UOZSCDXZDAPPOY-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001376569458 920983158 /nfs/dbraw/zinc/98/31/58/920983158.db2.gz ARYHEBOLZBJDPG-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001376569458 920983170 /nfs/dbraw/zinc/98/31/70/920983170.db2.gz ARYHEBOLZBJDPG-NSHDSACASA-N 1 1 312.370 -1.699 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001376586106 920984672 /nfs/dbraw/zinc/98/46/72/920984672.db2.gz XIUUTSARYGKCLD-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001376591302 920987135 /nfs/dbraw/zinc/98/71/35/920987135.db2.gz OSINUVYKESJWDC-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C2=CCOCC2)C1 ZINC001376592753 920987565 /nfs/dbraw/zinc/98/75/65/920987565.db2.gz UVEQLTOSKRZFDM-CHWSQXEVSA-N 1 1 311.382 -1.122 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001376594623 920987874 /nfs/dbraw/zinc/98/78/74/920987874.db2.gz BSLFFLHEJZFZGR-PWSUYJOCSA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376622560 920992060 /nfs/dbraw/zinc/99/20/60/920992060.db2.gz CUHFKMYAWDRCTH-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376619755 920994133 /nfs/dbraw/zinc/99/41/33/920994133.db2.gz QXMXMWSSWZYJNK-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376627404 920995644 /nfs/dbraw/zinc/99/56/44/920995644.db2.gz LNMMRBTVRVEVHV-NXEZZACHSA-N 1 1 311.342 -1.463 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001376626340 920996066 /nfs/dbraw/zinc/99/60/66/920996066.db2.gz BDUHLUFZNVIOFH-RGDJUOJXSA-N 1 1 313.398 -1.629 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629024 920996336 /nfs/dbraw/zinc/99/63/36/920996336.db2.gz OEXYWALTOWOHGX-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CN2CCCC2)C1 ZINC001376629024 920996343 /nfs/dbraw/zinc/99/63/43/920996343.db2.gz OEXYWALTOWOHGX-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001376624259 920996629 /nfs/dbraw/zinc/99/66/29/920996629.db2.gz PDMFQZUHXRFAGS-MNOVXSKESA-N 1 1 323.353 -1.937 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001376624264 920997285 /nfs/dbraw/zinc/99/72/85/920997285.db2.gz PDMFQZUHXRFAGS-QWRGUYRKSA-N 1 1 323.353 -1.937 20 0 DAADMO C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001376635467 920998157 /nfs/dbraw/zinc/99/81/57/920998157.db2.gz ZZDOAUKUKJOLSO-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376634366 920998828 /nfs/dbraw/zinc/99/88/28/920998828.db2.gz XTHWINTXFNTLMQ-GHMZBOCLSA-N 1 1 324.385 -1.716 20 0 DAADMO CNC(=O)NCC(=O)N(CCO)CC[NH2+][C@H](C)c1ncccn1 ZINC001376638484 920999311 /nfs/dbraw/zinc/99/93/11/920999311.db2.gz SHTVSANMGDQPNH-LLVKDONJSA-N 1 1 324.385 -1.123 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001376640837 921002653 /nfs/dbraw/zinc/00/26/53/921002653.db2.gz GBTPISJHNZYFRS-LBPRGKRZSA-N 1 1 309.370 -1.245 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001376639562 921003409 /nfs/dbraw/zinc/00/34/09/921003409.db2.gz BPERRWCUYOCCHS-JTQLQIEISA-N 1 1 313.358 -1.075 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001376646629 921004284 /nfs/dbraw/zinc/00/42/84/921004284.db2.gz VGBVZIBSYFETST-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001376646629 921004299 /nfs/dbraw/zinc/00/42/99/921004299.db2.gz VGBVZIBSYFETST-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001376650584 921006361 /nfs/dbraw/zinc/00/63/61/921006361.db2.gz GXMFJFTZRCNRRY-ZDUSSCGKSA-N 1 1 323.397 -1.113 20 0 DAADMO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1)[NH+]1CCCC1 ZINC001376657554 921007385 /nfs/dbraw/zinc/00/73/85/921007385.db2.gz CYGUPOTVDINSRI-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)(C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 ZINC001376657554 921007395 /nfs/dbraw/zinc/00/73/95/921007395.db2.gz CYGUPOTVDINSRI-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC001376656924 921008123 /nfs/dbraw/zinc/00/81/23/921008123.db2.gz FDGIORRRSMTJBM-VINAVUOLSA-N 1 1 311.382 -1.291 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001376656906 921009464 /nfs/dbraw/zinc/00/94/64/921009464.db2.gz FDGIORRRSMTJBM-CYRTVHNOSA-N 1 1 311.382 -1.291 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001376662148 921009950 /nfs/dbraw/zinc/00/99/50/921009950.db2.gz SEXVEKYYFAUHLM-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001376666510 921012635 /nfs/dbraw/zinc/01/26/35/921012635.db2.gz YPZLHYRNRNFJKA-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376674347 921015007 /nfs/dbraw/zinc/01/50/07/921015007.db2.gz XZQSPEGXYJYMPU-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001376722405 921021588 /nfs/dbraw/zinc/02/15/88/921021588.db2.gz PUEFSUBZSPBITC-SECBINFHSA-N 1 1 307.358 -1.383 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001376756360 921028589 /nfs/dbraw/zinc/02/85/89/921028589.db2.gz JORMXVWKPWQXCI-SNVBAGLBSA-N 1 1 324.389 -2.422 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@H](C)c1nncn1C ZINC001376783335 921029246 /nfs/dbraw/zinc/02/92/46/921029246.db2.gz LEUIAWXROJRBHC-GHMZBOCLSA-N 1 1 323.401 -1.598 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+][C@@H](C)c1nncn1C ZINC001376783338 921031153 /nfs/dbraw/zinc/03/11/53/921031153.db2.gz LEUIAWXROJRBHC-QWRGUYRKSA-N 1 1 323.401 -1.598 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001376818423 921034774 /nfs/dbraw/zinc/03/47/74/921034774.db2.gz COJTYCRRIKFVQS-SFYZADRCSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001376841062 921036882 /nfs/dbraw/zinc/03/68/82/921036882.db2.gz CWAHORKDWWWHDS-QWRGUYRKSA-N 1 1 322.369 -1.150 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001376836429 921037978 /nfs/dbraw/zinc/03/79/78/921037978.db2.gz FEIPKMCBBYBQJI-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001376848858 921040870 /nfs/dbraw/zinc/04/08/70/921040870.db2.gz DJHNWPHRPUGEKA-GHMZBOCLSA-N 1 1 324.385 -1.182 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001376843307 921040994 /nfs/dbraw/zinc/04/09/94/921040994.db2.gz MHKSQFJHHDQUBL-PWSUYJOCSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001376843307 921041001 /nfs/dbraw/zinc/04/10/01/921041001.db2.gz MHKSQFJHHDQUBL-PWSUYJOCSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001376841723 921042470 /nfs/dbraw/zinc/04/24/70/921042470.db2.gz PXEWZNWWDHLMBM-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001377405762 921812233 /nfs/dbraw/zinc/81/22/33/921812233.db2.gz VJGFWFIOYJVTEC-MNOVXSKESA-N 1 1 310.354 -1.029 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)[C@@H]1CCNC1=O ZINC001377387703 921812399 /nfs/dbraw/zinc/81/23/99/921812399.db2.gz YMPBXUVKPCVMTD-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001377401478 921813239 /nfs/dbraw/zinc/81/32/39/921813239.db2.gz RZVLDYINNRWHBG-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001377395618 921813270 /nfs/dbraw/zinc/81/32/70/921813270.db2.gz VGCFOYJKPDDTLX-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001377395618 921813286 /nfs/dbraw/zinc/81/32/86/921813286.db2.gz VGCFOYJKPDDTLX-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001377401463 921813357 /nfs/dbraw/zinc/81/33/57/921813357.db2.gz RZVLDYINNRWHBG-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001377403352 921813665 /nfs/dbraw/zinc/81/36/65/921813665.db2.gz JBZNJRXDGJSISM-SNVBAGLBSA-N 1 1 309.374 -1.138 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001377403352 921813669 /nfs/dbraw/zinc/81/36/69/921813669.db2.gz JBZNJRXDGJSISM-SNVBAGLBSA-N 1 1 309.374 -1.138 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001377392856 921813731 /nfs/dbraw/zinc/81/37/31/921813731.db2.gz PCQXSEBPUGLWFI-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377407732 921813968 /nfs/dbraw/zinc/81/39/68/921813968.db2.gz ZTXGDJMPNMOXCB-UXCLJVHYSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377407732 921813975 /nfs/dbraw/zinc/81/39/75/921813975.db2.gz ZTXGDJMPNMOXCB-UXCLJVHYSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398539 921814028 /nfs/dbraw/zinc/81/40/28/921814028.db2.gz FPPDFOHQQIWRDH-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398539 921814034 /nfs/dbraw/zinc/81/40/34/921814034.db2.gz FPPDFOHQQIWRDH-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001377413245 921816026 /nfs/dbraw/zinc/81/60/26/921816026.db2.gz SBTQKIODCGPOCO-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)COCc1nncn1C ZINC001377413245 921816037 /nfs/dbraw/zinc/81/60/37/921816037.db2.gz SBTQKIODCGPOCO-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427641 921817826 /nfs/dbraw/zinc/81/78/26/921817826.db2.gz NUGYNHVPFYSQCP-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001377427641 921817835 /nfs/dbraw/zinc/81/78/35/921817835.db2.gz NUGYNHVPFYSQCP-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001377426756 921818092 /nfs/dbraw/zinc/81/80/92/921818092.db2.gz YYYZEJHORFTKKI-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001377426756 921818099 /nfs/dbraw/zinc/81/80/99/921818099.db2.gz YYYZEJHORFTKKI-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001377443352 921818939 /nfs/dbraw/zinc/81/89/39/921818939.db2.gz YDAJKDPATVEEFO-NXEZZACHSA-N 1 1 314.342 -1.965 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001377447925 921819368 /nfs/dbraw/zinc/81/93/68/921819368.db2.gz QQEYKRRDJIEUCN-QWRGUYRKSA-N 1 1 324.385 -1.716 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001377444617 921819672 /nfs/dbraw/zinc/81/96/72/921819672.db2.gz QYHHJTPOQKJXKM-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001377444617 921819690 /nfs/dbraw/zinc/81/96/90/921819690.db2.gz QYHHJTPOQKJXKM-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001377445247 921820114 /nfs/dbraw/zinc/82/01/14/921820114.db2.gz LDDOUEVUEONYDA-MNOVXSKESA-N 1 1 322.431 -1.487 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001377445256 921820195 /nfs/dbraw/zinc/82/01/95/921820195.db2.gz LDDOUEVUEONYDA-QWRGUYRKSA-N 1 1 322.431 -1.487 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377435366 921820350 /nfs/dbraw/zinc/82/03/50/921820350.db2.gz HJJQMXFGPVLTEN-SNVBAGLBSA-N 1 1 324.385 -1.427 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377435366 921820365 /nfs/dbraw/zinc/82/03/65/921820365.db2.gz HJJQMXFGPVLTEN-SNVBAGLBSA-N 1 1 324.385 -1.427 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377443097 921821166 /nfs/dbraw/zinc/82/11/66/921821166.db2.gz PIUINPJZDJWKAN-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001377447386 921821524 /nfs/dbraw/zinc/82/15/24/921821524.db2.gz OSXDKQGOECNSOM-QWRGUYRKSA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001377446272 921821782 /nfs/dbraw/zinc/82/17/82/921821782.db2.gz WGRZKMBCGVXDTL-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001377441293 921822391 /nfs/dbraw/zinc/82/23/91/921822391.db2.gz DWKPIMSHBZULFK-NEPJUHHUSA-N 1 1 323.397 -2.255 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001377476972 921823604 /nfs/dbraw/zinc/82/36/04/921823604.db2.gz KSBBILQZEFCQHM-JTQLQIEISA-N 1 1 308.342 -1.484 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)CCn3cnnn3)C2)C1=O ZINC001377459406 921823771 /nfs/dbraw/zinc/82/37/71/921823771.db2.gz HQYDYCUIZWZPNA-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001377470350 921823904 /nfs/dbraw/zinc/82/39/04/921823904.db2.gz CCIWIGYQJTVUAS-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001377500483 921827109 /nfs/dbraw/zinc/82/71/09/921827109.db2.gz AAOLOGITSVAQFO-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001377488819 921828123 /nfs/dbraw/zinc/82/81/23/921828123.db2.gz BYOFIFKDNYBOTH-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001377488819 921828132 /nfs/dbraw/zinc/82/81/32/921828132.db2.gz BYOFIFKDNYBOTH-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001377478795 921828387 /nfs/dbraw/zinc/82/83/87/921828387.db2.gz QISGFSLDXAIAGC-QWRGUYRKSA-N 1 1 302.375 -1.510 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001377479325 921828649 /nfs/dbraw/zinc/82/86/49/921828649.db2.gz RGJNBTFLNSESKA-JTQLQIEISA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001377479326 921828779 /nfs/dbraw/zinc/82/87/79/921828779.db2.gz RGJNBTFLNSESKA-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001377492755 921828908 /nfs/dbraw/zinc/82/89/08/921828908.db2.gz PFMXTJGBWABAJN-UHFFFAOYSA-N 1 1 312.370 -1.633 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001377540552 921830092 /nfs/dbraw/zinc/83/00/92/921830092.db2.gz CVFDFZTZSARVBB-VHSXEESVSA-N 1 1 314.386 -1.672 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001377527335 921830313 /nfs/dbraw/zinc/83/03/13/921830313.db2.gz CBZURBJPARINPF-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001377527335 921830327 /nfs/dbraw/zinc/83/03/27/921830327.db2.gz CBZURBJPARINPF-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)C1CC1 ZINC001377529095 921831232 /nfs/dbraw/zinc/83/12/32/921831232.db2.gz UMVFXAMFPQOOTG-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001377540551 921832083 /nfs/dbraw/zinc/83/20/83/921832083.db2.gz CVFDFZTZSARVBB-UWVGGRQHSA-N 1 1 314.386 -1.672 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC001377523655 921832172 /nfs/dbraw/zinc/83/21/72/921832172.db2.gz JXPYMIYJSZLGGZ-VIFPVBQESA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](CC(=O)NC1CC1)C1CC1 ZINC001377523655 921832185 /nfs/dbraw/zinc/83/21/85/921832185.db2.gz JXPYMIYJSZLGGZ-VIFPVBQESA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001377548013 921833367 /nfs/dbraw/zinc/83/33/67/921833367.db2.gz MKBYXIGXQNFMNH-IUCAKERBSA-N 1 1 314.342 -2.088 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545887 921833684 /nfs/dbraw/zinc/83/36/84/921833684.db2.gz POZRKKVQHSYXIT-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)C1=O ZINC001377545887 921833696 /nfs/dbraw/zinc/83/36/96/921833696.db2.gz POZRKKVQHSYXIT-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(NCC[N@@H+](CCn1cncn1)C1CC1)[C@H]1CNC(=O)N1 ZINC001377555243 921834393 /nfs/dbraw/zinc/83/43/93/921834393.db2.gz REGMJKLTPHTAAR-LLVKDONJSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(Cn1cccn1)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001377551521 921835268 /nfs/dbraw/zinc/83/52/68/921835268.db2.gz PXXGIRFBBTYTFD-LBPRGKRZSA-N 1 1 321.381 -1.285 20 0 DAADMO Cc1c(C(=O)NC2(CO)CC[NH+]([C@@H](C)C(N)=O)CC2)nnn1C ZINC001377553563 921835381 /nfs/dbraw/zinc/83/53/81/921835381.db2.gz ZYUFHVBHEBPENB-JTQLQIEISA-N 1 1 324.385 -1.446 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001377563343 921838236 /nfs/dbraw/zinc/83/82/36/921838236.db2.gz APORWHONQPDUEQ-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001377563343 921838249 /nfs/dbraw/zinc/83/82/49/921838249.db2.gz APORWHONQPDUEQ-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C[C@@H](C)O)C2CC2)c(=O)n1C ZINC001377573010 921839883 /nfs/dbraw/zinc/83/98/83/921839883.db2.gz WCADYKGVEXZHGN-SNVBAGLBSA-N 1 1 311.386 -1.148 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC001377568488 921839992 /nfs/dbraw/zinc/83/99/92/921839992.db2.gz MQNCKDNMBLKOQC-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC001377568488 921839998 /nfs/dbraw/zinc/83/99/98/921839998.db2.gz MQNCKDNMBLKOQC-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCCNC2=O)CC1)c1cnon1 ZINC001377575142 921840100 /nfs/dbraw/zinc/84/01/00/921840100.db2.gz RFFSTWZFOJAZDB-LLVKDONJSA-N 1 1 323.353 -1.095 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)CNC(=O)NC)CC1 ZINC001377590339 921842746 /nfs/dbraw/zinc/84/27/46/921842746.db2.gz PXWPBPOZHJPABR-UHFFFAOYSA-N 1 1 313.402 -1.039 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377634401 921844332 /nfs/dbraw/zinc/84/43/32/921844332.db2.gz UNHJTTHIOZJTMP-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001377625012 921844368 /nfs/dbraw/zinc/84/43/68/921844368.db2.gz NGDBUWVLELVHBR-TXEJJXNPSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(N)=O)c1nnnn1C ZINC001377606544 921845094 /nfs/dbraw/zinc/84/50/94/921845094.db2.gz XVDQOZIJEMARJU-ZJUUUORDSA-N 1 1 324.389 -1.138 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377634393 921846211 /nfs/dbraw/zinc/84/62/11/921846211.db2.gz UNHJTTHIOZJTMP-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001377679138 921848035 /nfs/dbraw/zinc/84/80/35/921848035.db2.gz PSNBOWCVXCPQLI-RYUDHWBXSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001377676450 921848829 /nfs/dbraw/zinc/84/88/29/921848829.db2.gz WHCWEYGCTWSJFB-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H]1CCNC1=O ZINC001377639463 921849227 /nfs/dbraw/zinc/84/92/27/921849227.db2.gz LNJDDVYSMFRNQO-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001377640328 921849271 /nfs/dbraw/zinc/84/92/71/921849271.db2.gz VPQHQDZNLIBYHT-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001377644772 921849313 /nfs/dbraw/zinc/84/93/13/921849313.db2.gz YSMKJKJRWMDULJ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001377644772 921849330 /nfs/dbraw/zinc/84/93/30/921849330.db2.gz YSMKJKJRWMDULJ-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001377649285 921849354 /nfs/dbraw/zinc/84/93/54/921849354.db2.gz ADUZMGIULOZOIR-WDEREUQCSA-N 1 1 312.374 -1.246 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001377676460 921849596 /nfs/dbraw/zinc/84/95/96/921849596.db2.gz WHCWEYGCTWSJFB-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001377639664 921850188 /nfs/dbraw/zinc/85/01/88/921850188.db2.gz ZFVQZRQRXVXHGN-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001377639664 921850198 /nfs/dbraw/zinc/85/01/98/921850198.db2.gz ZFVQZRQRXVXHGN-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@H]1CCNC1=O ZINC001377639453 921850513 /nfs/dbraw/zinc/85/05/13/921850513.db2.gz LNJDDVYSMFRNQO-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377702175 921851628 /nfs/dbraw/zinc/85/16/28/921851628.db2.gz VXOGYYSZNFJCFZ-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377688069 921852132 /nfs/dbraw/zinc/85/21/32/921852132.db2.gz DPIHTBRYXUCANU-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO NS(=O)(=O)CCCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001377706556 921853265 /nfs/dbraw/zinc/85/32/65/921853265.db2.gz NLWKXCROBACJEO-LLVKDONJSA-N 1 1 307.416 -1.124 20 0 DAADMO CNC(=O)NCC(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001377702988 921853343 /nfs/dbraw/zinc/85/33/43/921853343.db2.gz BHZIAGQSWRBLDX-UHFFFAOYSA-N 1 1 310.362 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001377731765 921855850 /nfs/dbraw/zinc/85/58/50/921855850.db2.gz XXOALXIXCQXODM-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)n1C ZINC001377735426 921856736 /nfs/dbraw/zinc/85/67/36/921856736.db2.gz YBIZMSVYIPRKEV-QWRGUYRKSA-N 1 1 323.397 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001377745247 921857855 /nfs/dbraw/zinc/85/78/55/921857855.db2.gz BJDVENIANZISLR-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377752263 921858150 /nfs/dbraw/zinc/85/81/50/921858150.db2.gz GUSFLVZOXICMEK-LBPRGKRZSA-N 1 1 322.427 -1.180 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001377745306 921858832 /nfs/dbraw/zinc/85/88/32/921858832.db2.gz BQLAFJAKVFAFRO-CMPLNLGQSA-N 1 1 314.386 -1.022 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)c1=O ZINC001377756657 921860189 /nfs/dbraw/zinc/86/01/89/921860189.db2.gz NMKOHIKLHIJRGU-LBPRGKRZSA-N 1 1 324.381 -1.680 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001377816106 921865584 /nfs/dbraw/zinc/86/55/84/921865584.db2.gz IGSLMVUZLJIMDT-DTWKUNHWSA-N 1 1 319.387 -1.289 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001377816361 921866438 /nfs/dbraw/zinc/86/64/38/921866438.db2.gz PKJWYGOSKZQKBK-IUCAKERBSA-N 1 1 322.373 -1.309 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001377829129 921866766 /nfs/dbraw/zinc/86/67/66/921866766.db2.gz FNOMQGMZJWSIHI-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001377838892 921867461 /nfs/dbraw/zinc/86/74/61/921867461.db2.gz XHRCFZGJPWLRDH-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001377838892 921867474 /nfs/dbraw/zinc/86/74/74/921867474.db2.gz XHRCFZGJPWLRDH-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001377854207 921870657 /nfs/dbraw/zinc/87/06/57/921870657.db2.gz XFZQAAGKUZSTSK-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001377882823 921872512 /nfs/dbraw/zinc/87/25/12/921872512.db2.gz VUZFFAXDAJLEHH-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001377889242 921874871 /nfs/dbraw/zinc/87/48/71/921874871.db2.gz GXOCLDODFKYAAU-FXPVBKGRSA-N 1 1 311.386 -1.290 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377919281 921881791 /nfs/dbraw/zinc/88/17/91/921881791.db2.gz MSAAZDTURQYHGO-KIJLLGNVSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377919281 921881783 /nfs/dbraw/zinc/88/17/83/921881783.db2.gz MSAAZDTURQYHGO-KIJLLGNVSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377919277 921881873 /nfs/dbraw/zinc/88/18/73/921881873.db2.gz MSAAZDTURQYHGO-IEECTRCBSA-N 1 1 311.382 -1.170 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001377919277 921881879 /nfs/dbraw/zinc/88/18/79/921881879.db2.gz MSAAZDTURQYHGO-IEECTRCBSA-N 1 1 311.382 -1.170 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001377939697 921884441 /nfs/dbraw/zinc/88/44/41/921884441.db2.gz YFGOZZXTFHVIPT-QMMMGPOBSA-N 1 1 308.342 -1.425 20 0 DAADMO C[C@H](F)CC[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001377928851 921885411 /nfs/dbraw/zinc/88/54/11/921885411.db2.gz JUEIYNOLCVZLCZ-VIFPVBQESA-N 1 1 310.395 -1.069 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001377973770 921890342 /nfs/dbraw/zinc/89/03/42/921890342.db2.gz SXBIYPPUANPCKQ-JTQLQIEISA-N 1 1 320.415 -1.762 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001377969815 921890531 /nfs/dbraw/zinc/89/05/31/921890531.db2.gz IITJQIZTBKXESB-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001377969815 921890549 /nfs/dbraw/zinc/89/05/49/921890549.db2.gz IITJQIZTBKXESB-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001377981976 921893001 /nfs/dbraw/zinc/89/30/01/921893001.db2.gz JWNWZWQJJUMWHQ-VIFPVBQESA-N 1 1 323.353 -1.869 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001377993979 921893620 /nfs/dbraw/zinc/89/36/20/921893620.db2.gz YHNWBEALWABNMR-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377982853 921894242 /nfs/dbraw/zinc/89/42/42/921894242.db2.gz JTPPBICLXGJAHY-VIFPVBQESA-N 1 1 310.358 -2.236 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001378009540 921898416 /nfs/dbraw/zinc/89/84/16/921898416.db2.gz RVFCLQAPGBRHPZ-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001378009540 921898425 /nfs/dbraw/zinc/89/84/25/921898425.db2.gz RVFCLQAPGBRHPZ-VIFPVBQESA-N 1 1 315.374 -1.643 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017433 921898726 /nfs/dbraw/zinc/89/87/26/921898726.db2.gz UHEMWWCPDYZVNN-VXGBXAGGSA-N 1 1 321.443 -1.202 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)CCS(C)(=O)=O ZINC001378017433 921898734 /nfs/dbraw/zinc/89/87/34/921898734.db2.gz UHEMWWCPDYZVNN-VXGBXAGGSA-N 1 1 321.443 -1.202 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001378022801 921900689 /nfs/dbraw/zinc/90/06/89/921900689.db2.gz GFZMGCRUNCWZFW-VIFPVBQESA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN(C)S(C)(=O)=O ZINC001378022982 921900860 /nfs/dbraw/zinc/90/08/60/921900860.db2.gz FDXIFKSKBPMUIL-DCAQKATOSA-N 1 1 305.400 -1.456 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001378047772 921903368 /nfs/dbraw/zinc/90/33/68/921903368.db2.gz VZDXSBKDYBJLGU-DCAQKATOSA-N 1 1 305.400 -1.456 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001378047772 921903377 /nfs/dbraw/zinc/90/33/77/921903377.db2.gz VZDXSBKDYBJLGU-DCAQKATOSA-N 1 1 305.400 -1.456 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](COC)OC ZINC001378041120 921903885 /nfs/dbraw/zinc/90/38/85/921903885.db2.gz KNQMOOKQOOVZQZ-WUHRBBMRSA-N 1 1 302.371 -1.060 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](COC)OC ZINC001378041120 921903901 /nfs/dbraw/zinc/90/39/01/921903901.db2.gz KNQMOOKQOOVZQZ-WUHRBBMRSA-N 1 1 302.371 -1.060 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@H+](C)CCCS(C)(=O)=O ZINC001378045013 921905054 /nfs/dbraw/zinc/90/50/54/921905054.db2.gz SMEYSZJZNPZZQU-SNVBAGLBSA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378045013 921905064 /nfs/dbraw/zinc/90/50/64/921905064.db2.gz SMEYSZJZNPZZQU-SNVBAGLBSA-N 1 1 318.403 -1.456 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001378036740 921905365 /nfs/dbraw/zinc/90/53/65/921905365.db2.gz IIRKTGFGOMIIPD-DTWKUNHWSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1COC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378036740 921905376 /nfs/dbraw/zinc/90/53/76/921905376.db2.gz IIRKTGFGOMIIPD-DTWKUNHWSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001378036743 921905887 /nfs/dbraw/zinc/90/58/87/921905887.db2.gz IIRKTGFGOMIIPD-IUCAKERBSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378036743 921905892 /nfs/dbraw/zinc/90/58/92/921905892.db2.gz IIRKTGFGOMIIPD-IUCAKERBSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001378061450 921907182 /nfs/dbraw/zinc/90/71/82/921907182.db2.gz DCQVXLTYCFPVJS-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001378067282 921908414 /nfs/dbraw/zinc/90/84/14/921908414.db2.gz IBZPWKIKMWTGQP-XXFSISAASA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001378067282 921908422 /nfs/dbraw/zinc/90/84/22/921908422.db2.gz IBZPWKIKMWTGQP-XXFSISAASA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001378057220 921909386 /nfs/dbraw/zinc/90/93/86/921909386.db2.gz UBNHYISZUGQULF-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001378057220 921909390 /nfs/dbraw/zinc/90/93/90/921909390.db2.gz UBNHYISZUGQULF-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC1CC1 ZINC001378054652 921910012 /nfs/dbraw/zinc/91/00/12/921910012.db2.gz OYYANAORDGQANS-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC1CC1 ZINC001378054652 921910021 /nfs/dbraw/zinc/91/00/21/921910021.db2.gz OYYANAORDGQANS-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001378056650 921910050 /nfs/dbraw/zinc/91/00/50/921910050.db2.gz VIASELCREJCMNY-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001378065190 921910303 /nfs/dbraw/zinc/91/03/03/921910303.db2.gz AQBXUGXUQYOVMF-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001378065190 921910312 /nfs/dbraw/zinc/91/03/12/921910312.db2.gz AQBXUGXUQYOVMF-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001378065191 921910423 /nfs/dbraw/zinc/91/04/23/921910423.db2.gz AQBXUGXUQYOVMF-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001378065191 921910431 /nfs/dbraw/zinc/91/04/31/921910431.db2.gz AQBXUGXUQYOVMF-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001378055024 921910448 /nfs/dbraw/zinc/91/04/48/921910448.db2.gz PGWPZSPULFCEPR-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@H+](C)CC(N)=O ZINC001378053199 921910474 /nfs/dbraw/zinc/91/04/74/921910474.db2.gz WVJDUGHJZDCUOC-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@@H+](C)CC(N)=O ZINC001378053199 921910481 /nfs/dbraw/zinc/91/04/81/921910481.db2.gz WVJDUGHJZDCUOC-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)c1C ZINC001378097877 921911320 /nfs/dbraw/zinc/91/13/20/921911320.db2.gz FXQXBSJFEDOBIH-MRVPVSSYSA-N 1 1 309.370 -1.067 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)c1C ZINC001378097877 921911338 /nfs/dbraw/zinc/91/13/38/921911338.db2.gz FXQXBSJFEDOBIH-MRVPVSSYSA-N 1 1 309.370 -1.067 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[N@H+](C)CC(N)=O ZINC001378092617 921911501 /nfs/dbraw/zinc/91/15/01/921911501.db2.gz ZDGJKCOXPQAYOG-RKDXNWHRSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[N@@H+](C)CC(N)=O ZINC001378092617 921911508 /nfs/dbraw/zinc/91/15/08/921911508.db2.gz ZDGJKCOXPQAYOG-RKDXNWHRSA-N 1 1 310.358 -1.532 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001378082688 921911922 /nfs/dbraw/zinc/91/19/22/921911922.db2.gz KRJBSXOXYVVZLV-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[N@H+](C)CC(N)=O ZINC001378092610 921912020 /nfs/dbraw/zinc/91/20/20/921912020.db2.gz ZDGJKCOXPQAYOG-DTWKUNHWSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[N@@H+](C)CC(N)=O ZINC001378092610 921912033 /nfs/dbraw/zinc/91/20/33/921912033.db2.gz ZDGJKCOXPQAYOG-DTWKUNHWSA-N 1 1 310.358 -1.532 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001378089372 921912600 /nfs/dbraw/zinc/91/26/00/921912600.db2.gz SKYXANCPJDWOKE-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001378089372 921912612 /nfs/dbraw/zinc/91/26/12/921912612.db2.gz SKYXANCPJDWOKE-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001378087032 921912888 /nfs/dbraw/zinc/91/28/88/921912888.db2.gz FNRYFDDYCDHISG-MNOVXSKESA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001378087032 921912899 /nfs/dbraw/zinc/91/28/99/921912899.db2.gz FNRYFDDYCDHISG-MNOVXSKESA-N 1 1 319.365 -1.124 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001378084693 921913197 /nfs/dbraw/zinc/91/31/97/921913197.db2.gz UFRIZTLRVYRALZ-UWVGGRQHSA-N 1 1 309.388 -2.267 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001378087982 921913258 /nfs/dbraw/zinc/91/32/58/921913258.db2.gz WCMBSFYCBAHIBF-NWDGAFQWSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378071918 921913341 /nfs/dbraw/zinc/91/33/41/921913341.db2.gz DLPUASYQBFUUDT-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001378096587 921913438 /nfs/dbraw/zinc/91/34/38/921913438.db2.gz VWKNBEQDFDYJOL-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001378096587 921913445 /nfs/dbraw/zinc/91/34/45/921913445.db2.gz VWKNBEQDFDYJOL-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)C2)C1 ZINC001378090151 921913498 /nfs/dbraw/zinc/91/34/98/921913498.db2.gz TZPJRGXGNVELLE-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)[N@@H+](C)CCO ZINC001378077612 921913739 /nfs/dbraw/zinc/91/37/39/921913739.db2.gz FLGQMPXZCARHRC-QMMMGPOBSA-N 1 1 305.356 -1.031 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001378076210 921914195 /nfs/dbraw/zinc/91/41/95/921914195.db2.gz BEVKRAJVSPNBIF-GHMZBOCLSA-N 1 1 315.374 -1.974 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001378113556 921915761 /nfs/dbraw/zinc/91/57/61/921915761.db2.gz JMAGJEPOECHJAH-MNOVXSKESA-N 1 1 313.402 -1.881 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001378115695 921915937 /nfs/dbraw/zinc/91/59/37/921915937.db2.gz SOMBHGSTBLSISL-VWYCJHECSA-N 1 1 300.359 -1.792 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001378108831 921916803 /nfs/dbraw/zinc/91/68/03/921916803.db2.gz BLUXVBWLLPWPAN-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378108831 921916812 /nfs/dbraw/zinc/91/68/12/921916812.db2.gz BLUXVBWLLPWPAN-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378109236 921917573 /nfs/dbraw/zinc/91/75/73/921917573.db2.gz LNKBRDCHTGFNTK-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378109236 921917586 /nfs/dbraw/zinc/91/75/86/921917586.db2.gz LNKBRDCHTGFNTK-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001378113560 921917724 /nfs/dbraw/zinc/91/77/24/921917724.db2.gz JMAGJEPOECHJAH-QWRGUYRKSA-N 1 1 313.402 -1.881 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378121669 921919139 /nfs/dbraw/zinc/91/91/39/921919139.db2.gz KPBWZARBBCDYPQ-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@@H](CNC(=O)c1n[nH]cc1F)[N@H+](C)CC(=O)NC(N)=O ZINC001378129220 921919367 /nfs/dbraw/zinc/91/93/67/921919367.db2.gz IFMYUSINHAJUNY-LURJTMIESA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@@H](CNC(=O)c1n[nH]cc1F)[N@@H+](C)CC(=O)NC(N)=O ZINC001378129220 921919380 /nfs/dbraw/zinc/91/93/80/921919380.db2.gz IFMYUSINHAJUNY-LURJTMIESA-N 1 1 300.294 -1.206 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCc2nnnn2CC1)[N@H+](C)CC(N)=O ZINC001378127111 921920093 /nfs/dbraw/zinc/92/00/93/921920093.db2.gz DABSSDBWIMUJFQ-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCc2nnnn2CC1)[N@@H+](C)CC(N)=O ZINC001378127111 921920109 /nfs/dbraw/zinc/92/01/09/921920109.db2.gz DABSSDBWIMUJFQ-ZJUUUORDSA-N 1 1 309.374 -1.453 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001378116533 921920589 /nfs/dbraw/zinc/92/05/89/921920589.db2.gz NADYBCUDZAEEOS-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378123659 921920651 /nfs/dbraw/zinc/92/06/51/921920651.db2.gz IQVHUZVHISRJEE-YUMQZZPRSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378123659 921920662 /nfs/dbraw/zinc/92/06/62/921920662.db2.gz IQVHUZVHISRJEE-YUMQZZPRSA-N 1 1 314.346 -2.440 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001378154097 921921589 /nfs/dbraw/zinc/92/15/89/921921589.db2.gz YZHORRRFYMDOKA-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)CCn1cncn1 ZINC001378134933 921921975 /nfs/dbraw/zinc/92/19/75/921921975.db2.gz AQZCAMUDDXTBLU-SDDRHHMPSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@H+](C)C[C@H](C)O ZINC001378155936 921922227 /nfs/dbraw/zinc/92/22/27/921922227.db2.gz OXMDANWHOWRUAI-ZJUUUORDSA-N 1 1 312.370 -1.485 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001378157120 921922309 /nfs/dbraw/zinc/92/23/09/921922309.db2.gz WOFHUNFMOKHDHP-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001378141261 921922718 /nfs/dbraw/zinc/92/27/18/921922718.db2.gz BIPWXUCYDKDLDS-JQWIXIFHSA-N 1 1 314.386 -1.848 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001378157124 921923116 /nfs/dbraw/zinc/92/31/16/921923116.db2.gz WOFHUNFMOKHDHP-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001378155919 921924210 /nfs/dbraw/zinc/92/42/10/921924210.db2.gz OXMDANWHOWRUAI-NXEZZACHSA-N 1 1 312.370 -1.485 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001378163716 921926411 /nfs/dbraw/zinc/92/64/11/921926411.db2.gz VFOROTABENFCAH-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001378163716 921926418 /nfs/dbraw/zinc/92/64/18/921926418.db2.gz VFOROTABENFCAH-SECBINFHSA-N 1 1 321.403 -2.681 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[N@H+](C)CCNS(C)(=O)=O ZINC001378164826 921927523 /nfs/dbraw/zinc/92/75/23/921927523.db2.gz BYTQLSOYAJLUCQ-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378164826 921927535 /nfs/dbraw/zinc/92/75/35/921927535.db2.gz BYTQLSOYAJLUCQ-SECBINFHSA-N 1 1 318.403 -1.586 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001378199580 921932236 /nfs/dbraw/zinc/93/22/36/921932236.db2.gz TUZHKILJYUMULJ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C(=O)CCNC(N)=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001378199580 921932242 /nfs/dbraw/zinc/93/22/42/921932242.db2.gz TUZHKILJYUMULJ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378211606 921932340 /nfs/dbraw/zinc/93/23/40/921932340.db2.gz SCEJZCXHBQBQIN-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378211606 921932355 /nfs/dbraw/zinc/93/23/55/921932355.db2.gz SCEJZCXHBQBQIN-VXGBXAGGSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001378223216 921933667 /nfs/dbraw/zinc/93/36/67/921933667.db2.gz SCBJCUNPFHOYBN-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001378223216 921933679 /nfs/dbraw/zinc/93/36/79/921933679.db2.gz SCBJCUNPFHOYBN-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1nnnn1C ZINC001378228616 921933917 /nfs/dbraw/zinc/93/39/17/921933917.db2.gz FZIWUQMVRZRVBS-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001378221303 921934826 /nfs/dbraw/zinc/93/48/26/921934826.db2.gz PYJIOASIBDYMQD-SFYZADRCSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001378221303 921934835 /nfs/dbraw/zinc/93/48/35/921934835.db2.gz PYJIOASIBDYMQD-SFYZADRCSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001378221302 921934956 /nfs/dbraw/zinc/93/49/56/921934956.db2.gz PYJIOASIBDYMQD-JGVFFNPUSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001378221302 921934971 /nfs/dbraw/zinc/93/49/71/921934971.db2.gz PYJIOASIBDYMQD-JGVFFNPUSA-N 1 1 311.342 -1.590 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001378244921 921936955 /nfs/dbraw/zinc/93/69/55/921936955.db2.gz ZVCXUXZRDJHJKQ-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001378244921 921936967 /nfs/dbraw/zinc/93/69/67/921936967.db2.gz ZVCXUXZRDJHJKQ-QMMMGPOBSA-N 1 1 311.346 -2.441 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1CC ZINC001378254657 921939213 /nfs/dbraw/zinc/93/92/13/921939213.db2.gz YJHXPWGWRZPPPQ-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001378274631 921941841 /nfs/dbraw/zinc/94/18/41/921941841.db2.gz MHDBXPJKXJIQSG-VXGBXAGGSA-N 1 1 312.414 -1.232 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378286570 921942962 /nfs/dbraw/zinc/94/29/62/921942962.db2.gz JAMVGJIBPOIURO-VHSXEESVSA-N 1 1 324.389 -1.251 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378282505 921943212 /nfs/dbraw/zinc/94/32/12/921943212.db2.gz WFTQRVPJAUSSDK-WDEREUQCSA-N 1 1 315.370 -1.191 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1)[C@H]1COC(=O)N1 ZINC001378277210 921943488 /nfs/dbraw/zinc/94/34/88/921943488.db2.gz BMGAJWVTEPSYHF-WDEREUQCSA-N 1 1 313.354 -1.316 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378282499 921943988 /nfs/dbraw/zinc/94/39/88/921943988.db2.gz WFTQRVPJAUSSDK-QWRGUYRKSA-N 1 1 315.370 -1.191 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378286560 921944070 /nfs/dbraw/zinc/94/40/70/921944070.db2.gz JAMVGJIBPOIURO-UWVGGRQHSA-N 1 1 324.389 -1.251 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001378282443 921944581 /nfs/dbraw/zinc/94/45/81/921944581.db2.gz WFTQRVPJAUSSDK-GHMZBOCLSA-N 1 1 315.370 -1.191 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001378286562 921944647 /nfs/dbraw/zinc/94/46/47/921944647.db2.gz QIXUFYFYPNSRAM-GFCCVEGCSA-N 1 1 312.414 -1.103 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378289861 921945190 /nfs/dbraw/zinc/94/51/90/921945190.db2.gz MFYRUOMGPMGOHL-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001378282444 921945256 /nfs/dbraw/zinc/94/52/56/921945256.db2.gz WFTQRVPJAUSSDK-MNOVXSKESA-N 1 1 315.370 -1.191 20 0 DAADMO CC[C@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CC(=O)NC(=O)NC ZINC001378292305 921947782 /nfs/dbraw/zinc/94/77/82/921947782.db2.gz KZUYRTBJZJKNSG-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1cn(C)nn1 ZINC001378303004 921948348 /nfs/dbraw/zinc/94/83/48/921948348.db2.gz SOHDIXRUXRDRIT-ADEWGFFLSA-N 1 1 324.385 -1.168 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001378319583 921949868 /nfs/dbraw/zinc/94/98/68/921949868.db2.gz RNYLNBFKSSJGJC-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001378329402 921954294 /nfs/dbraw/zinc/95/42/94/921954294.db2.gz XCYPWUAPBYXYDU-SECBINFHSA-N 1 1 320.357 -1.398 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001378332420 921954759 /nfs/dbraw/zinc/95/47/59/921954759.db2.gz SEDGPMQFJMXJEG-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001378339328 921955743 /nfs/dbraw/zinc/95/57/43/921955743.db2.gz WINKACPZZVIBQD-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001378372922 921960752 /nfs/dbraw/zinc/96/07/52/921960752.db2.gz LZWFYLOGXITJOX-SECBINFHSA-N 1 1 322.373 -1.590 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001378438253 921965972 /nfs/dbraw/zinc/96/59/72/921965972.db2.gz XNZHNZXMNDEELU-IINYFYTJSA-N 1 1 321.385 -1.137 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1 ZINC001378502396 921968684 /nfs/dbraw/zinc/96/86/84/921968684.db2.gz XSAFKSOMYMQCCN-ZJUUUORDSA-N 1 1 313.402 -1.042 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC001378496896 921968983 /nfs/dbraw/zinc/96/89/83/921968983.db2.gz QDXNYXIRYIQHHN-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378491532 921969657 /nfs/dbraw/zinc/96/96/57/921969657.db2.gz BYBMKRZZUWRQGZ-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001378556804 921974739 /nfs/dbraw/zinc/97/47/39/921974739.db2.gz UOLYHQKBLGNXCI-VIFPVBQESA-N 1 1 312.378 -1.629 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001378555017 921975824 /nfs/dbraw/zinc/97/58/24/921975824.db2.gz KVSZXTOKMAJAGG-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378569704 921979034 /nfs/dbraw/zinc/97/90/34/921979034.db2.gz LTTKBBBGQOHJMC-UWVGGRQHSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1nnn(C)n1 ZINC001378586595 921980745 /nfs/dbraw/zinc/98/07/45/921980745.db2.gz BWVPHDGLPVJUHL-HZMBPMFUSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001378604544 921983042 /nfs/dbraw/zinc/98/30/42/921983042.db2.gz KVNXIRALINQRPJ-MXWKQRLJSA-N 1 1 323.401 -1.046 20 0 DAADMO CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001378648922 921987866 /nfs/dbraw/zinc/98/78/66/921987866.db2.gz FEQRFTHURKQWAZ-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649039 921988087 /nfs/dbraw/zinc/98/80/87/921988087.db2.gz PZIANKQPFNWKOL-WDEREUQCSA-N 1 1 310.402 -1.098 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001378649039 921988100 /nfs/dbraw/zinc/98/81/00/921988100.db2.gz PZIANKQPFNWKOL-WDEREUQCSA-N 1 1 310.402 -1.098 20 0 DAADMO CC[C@H](C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653098 921988866 /nfs/dbraw/zinc/98/88/66/921988866.db2.gz OPODQJQZJSHHHT-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[C@H](C[N@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653098 921988872 /nfs/dbraw/zinc/98/88/72/921988872.db2.gz OPODQJQZJSHHHT-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[C@@H](C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653099 921989042 /nfs/dbraw/zinc/98/90/42/921989042.db2.gz OPODQJQZJSHHHT-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[C@@H](C[N@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653099 921989049 /nfs/dbraw/zinc/98/90/49/921989049.db2.gz OPODQJQZJSHHHT-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001378660058 921990948 /nfs/dbraw/zinc/99/09/48/921990948.db2.gz UZBWXHFMMGJHKA-VHSXEESVSA-N 1 1 324.403 -2.762 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001378660058 921990958 /nfs/dbraw/zinc/99/09/58/921990958.db2.gz UZBWXHFMMGJHKA-VHSXEESVSA-N 1 1 324.403 -2.762 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)nn1 ZINC001378669841 921992341 /nfs/dbraw/zinc/99/23/41/921992341.db2.gz VEUGOVPNOHPKFY-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)nn1 ZINC001378669841 921992349 /nfs/dbraw/zinc/99/23/49/921992349.db2.gz VEUGOVPNOHPKFY-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cocn3)[C@@H]2C1 ZINC001378680688 921993795 /nfs/dbraw/zinc/99/37/95/921993795.db2.gz AZTCXSMIGXYPGN-PSVAKVPMSA-N 1 1 307.310 -1.223 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673491 921993859 /nfs/dbraw/zinc/99/38/59/921993859.db2.gz QBPHEYMKTQJDNE-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673491 921993869 /nfs/dbraw/zinc/99/38/69/921993869.db2.gz QBPHEYMKTQJDNE-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H](NC(=O)CCNC(N)=O)C(C)(C)C1 ZINC001378677637 921995152 /nfs/dbraw/zinc/99/51/52/921995152.db2.gz JFNQOUWNSAJLMD-MNOVXSKESA-N 1 1 316.402 -1.121 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673488 921995686 /nfs/dbraw/zinc/99/56/86/921995686.db2.gz QBPHEYMKTQJDNE-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673488 921995692 /nfs/dbraw/zinc/99/56/92/921995692.db2.gz QBPHEYMKTQJDNE-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001378693843 921997010 /nfs/dbraw/zinc/99/70/10/921997010.db2.gz MDNWSRPCBCIGCC-XWLWVQCSSA-N 1 1 311.386 -1.527 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC001378701039 921998185 /nfs/dbraw/zinc/99/81/85/921998185.db2.gz QUUUJWJOKXJDLT-XRRVDJEJSA-N 1 1 323.397 -1.083 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@@H]2C1 ZINC001378700729 921998211 /nfs/dbraw/zinc/99/82/11/921998211.db2.gz PTWSUIQBUVTOHU-KKOKHZNYSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnsn3)[C@@H]2C1 ZINC001378702020 921998537 /nfs/dbraw/zinc/99/85/37/921998537.db2.gz NPNWTYUOINHKED-WHUPJOBBSA-N 1 1 324.366 -1.359 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001378715362 922000278 /nfs/dbraw/zinc/00/02/78/922000278.db2.gz TVQBWVOIZGDBNR-XYYAHUGASA-N 1 1 310.398 -1.641 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cncn3)[C@@H]2C1 ZINC001378740942 922000882 /nfs/dbraw/zinc/00/08/82/922000882.db2.gz CBLSDSHBXKGQJM-OWUUHHOZSA-N 1 1 321.341 -2.233 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nncn2C)C1 ZINC001378759540 922002542 /nfs/dbraw/zinc/00/25/42/922002542.db2.gz JBLIASDTGVPHCX-ZYHUDNBSSA-N 1 1 324.385 -1.343 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 ZINC001378759929 922004197 /nfs/dbraw/zinc/00/41/97/922004197.db2.gz OKVSEUDCLWBYCQ-KKOKHZNYSA-N 1 1 309.370 -1.352 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001378759929 922004208 /nfs/dbraw/zinc/00/42/08/922004208.db2.gz OKVSEUDCLWBYCQ-KKOKHZNYSA-N 1 1 309.370 -1.352 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001378759929 922004219 /nfs/dbraw/zinc/00/42/19/922004219.db2.gz OKVSEUDCLWBYCQ-KKOKHZNYSA-N 1 1 309.370 -1.352 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ncnn2C)C1 ZINC001378770273 922005307 /nfs/dbraw/zinc/00/53/07/922005307.db2.gz RCNFDEWDMKWYEP-JQWIXIFHSA-N 1 1 324.385 -1.343 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001378785655 922009674 /nfs/dbraw/zinc/00/96/74/922009674.db2.gz VJTQVVHWUMUTDQ-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccon1 ZINC001378812886 922011865 /nfs/dbraw/zinc/01/18/65/922011865.db2.gz SKONFYYMSKPERH-VIFPVBQESA-N 1 1 319.387 -1.335 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)CCNC(N)=O)CC2)C1 ZINC001378815999 922013183 /nfs/dbraw/zinc/01/31/83/922013183.db2.gz MRJACOIADVAAAT-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001378988172 922021428 /nfs/dbraw/zinc/02/14/28/922021428.db2.gz LVQBMZDTZKWKJR-NSHDSACASA-N 1 1 322.369 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001379042871 922025085 /nfs/dbraw/zinc/02/50/85/922025085.db2.gz WJOBQYQWUJZZKS-UHFFFAOYSA-N 1 1 311.346 -1.726 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)nn1 ZINC001379042871 922025101 /nfs/dbraw/zinc/02/51/01/922025101.db2.gz WJOBQYQWUJZZKS-UHFFFAOYSA-N 1 1 311.346 -1.726 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)Cc1nnn(C)n1 ZINC001379035137 922025773 /nfs/dbraw/zinc/02/57/73/922025773.db2.gz TUZWXWGCTRNXLO-LLVKDONJSA-N 1 1 311.390 -1.569 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)Cc1nnn(C)n1 ZINC001379035137 922025784 /nfs/dbraw/zinc/02/57/84/922025784.db2.gz TUZWXWGCTRNXLO-LLVKDONJSA-N 1 1 311.390 -1.569 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001379035689 922026098 /nfs/dbraw/zinc/02/60/98/922026098.db2.gz USTLQJCYLKKIGF-OLZOCXBDSA-N 1 1 303.403 -1.286 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)Cn2ncnn2)C1=O ZINC001379045584 922026407 /nfs/dbraw/zinc/02/64/07/922026407.db2.gz XAQCOTVVSWDMTD-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)Cn2ncnn2)C1=O ZINC001379045584 922026417 /nfs/dbraw/zinc/02/64/17/922026417.db2.gz XAQCOTVVSWDMTD-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001379042196 922026590 /nfs/dbraw/zinc/02/65/90/922026590.db2.gz OIPSBVROTGXHKF-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001379042196 922026603 /nfs/dbraw/zinc/02/66/03/922026603.db2.gz OIPSBVROTGXHKF-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001379044784 922026656 /nfs/dbraw/zinc/02/66/56/922026656.db2.gz ZWOWXIKBBNLNRW-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001379044784 922026672 /nfs/dbraw/zinc/02/66/72/922026672.db2.gz ZWOWXIKBBNLNRW-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001379035675 922026701 /nfs/dbraw/zinc/02/67/01/922026701.db2.gz USTLQJCYLKKIGF-CHWSQXEVSA-N 1 1 303.403 -1.286 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CCC(=O)N1 ZINC001379037187 922027406 /nfs/dbraw/zinc/02/74/06/922027406.db2.gz VVJJCTSAIGXABT-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379022363 922027584 /nfs/dbraw/zinc/02/75/84/922027584.db2.gz HBWUUYBQCURUKI-VXGBXAGGSA-N 1 1 321.385 -1.177 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001379072604 922028788 /nfs/dbraw/zinc/02/87/88/922028788.db2.gz CHYLGBQUYLQQPC-SNVBAGLBSA-N 1 1 320.353 -1.362 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001379073756 922030857 /nfs/dbraw/zinc/03/08/57/922030857.db2.gz HCASCKZGYGHNFI-QMMMGPOBSA-N 1 1 311.346 -1.347 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cn[nH]n1 ZINC001379073756 922030872 /nfs/dbraw/zinc/03/08/72/922030872.db2.gz HCASCKZGYGHNFI-QMMMGPOBSA-N 1 1 311.346 -1.347 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001379047903 922031340 /nfs/dbraw/zinc/03/13/40/922031340.db2.gz DNTVTSMDZWKWNT-SECBINFHSA-N 1 1 308.404 -1.858 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001379047903 922031348 /nfs/dbraw/zinc/03/13/48/922031348.db2.gz DNTVTSMDZWKWNT-SECBINFHSA-N 1 1 308.404 -1.858 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379098297 922034851 /nfs/dbraw/zinc/03/48/51/922034851.db2.gz HVFGRKHWHCMACJ-VHSXEESVSA-N 1 1 318.374 -1.379 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001379098297 922034864 /nfs/dbraw/zinc/03/48/64/922034864.db2.gz HVFGRKHWHCMACJ-VHSXEESVSA-N 1 1 318.374 -1.379 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)[nH]c1 ZINC001379124804 922036505 /nfs/dbraw/zinc/03/65/05/922036505.db2.gz RLQFMLVFOJBTEH-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccc(=O)[nH]c1 ZINC001379124804 922036524 /nfs/dbraw/zinc/03/65/24/922036524.db2.gz RLQFMLVFOJBTEH-UHFFFAOYSA-N 1 1 309.326 -1.014 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001379113373 922036656 /nfs/dbraw/zinc/03/66/56/922036656.db2.gz CEOKRXHOCISWEK-JTQLQIEISA-N 1 1 300.359 -1.301 20 0 DAADMO CC(C)[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001379120261 922037831 /nfs/dbraw/zinc/03/78/31/922037831.db2.gz QDMNAQCDJASLPL-NSHDSACASA-N 1 1 311.390 -1.024 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379132161 922038186 /nfs/dbraw/zinc/03/81/86/922038186.db2.gz NVRDXKXZNMAOEZ-LLVKDONJSA-N 1 1 313.402 -1.216 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)COCc1nncn1C ZINC001379115599 922039255 /nfs/dbraw/zinc/03/92/55/922039255.db2.gz CBHUPAOXJBXVBU-SNVBAGLBSA-N 1 1 312.374 -1.404 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)COCc1nncn1C ZINC001379115599 922039265 /nfs/dbraw/zinc/03/92/65/922039265.db2.gz CBHUPAOXJBXVBU-SNVBAGLBSA-N 1 1 312.374 -1.404 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001379123137 922039495 /nfs/dbraw/zinc/03/94/95/922039495.db2.gz HPNZCGAQRIXABO-SNVBAGLBSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n(C)n1 ZINC001379161164 922040927 /nfs/dbraw/zinc/04/09/27/922040927.db2.gz ALMHMKIBCOLRSM-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001379162659 922043758 /nfs/dbraw/zinc/04/37/58/922043758.db2.gz MGBYWSUEBILVDU-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001379162679 922044668 /nfs/dbraw/zinc/04/46/68/922044668.db2.gz MGBYWSUEBILVDU-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO Cc1nnsc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379165224 922046076 /nfs/dbraw/zinc/04/60/76/922046076.db2.gz PHNCWVQXVXEXEU-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cccn1)c1nncn1C ZINC001379170832 922047528 /nfs/dbraw/zinc/04/75/28/922047528.db2.gz WSVVALHQKPVLDE-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001379170646 922047624 /nfs/dbraw/zinc/04/76/24/922047624.db2.gz MCSWBUAVAUTMSO-QMMMGPOBSA-N 1 1 317.371 -1.231 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cccn1C)c1nnnn1C ZINC001379170870 922048314 /nfs/dbraw/zinc/04/83/14/922048314.db2.gz OLRFVGZAFRFHGU-ZJUUUORDSA-N 1 1 307.358 -1.010 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cccn1)c1nncn1C ZINC001379170841 922048757 /nfs/dbraw/zinc/04/87/57/922048757.db2.gz WSVVALHQKPVLDE-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001379169554 922050011 /nfs/dbraw/zinc/05/00/11/922050011.db2.gz XQAKCWCNHLFMSB-GXSJLCMTSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]1 ZINC001379182840 922052895 /nfs/dbraw/zinc/05/28/95/922052895.db2.gz GJWKLDWGMXQPOD-IONNQARKSA-N 1 1 308.346 -1.317 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001379178555 922052971 /nfs/dbraw/zinc/05/29/71/922052971.db2.gz ZUEHMODJXDCOOE-NWDGAFQWSA-N 1 1 319.427 -1.030 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001379177024 922053964 /nfs/dbraw/zinc/05/39/64/922053964.db2.gz FHPHQCOILMQFGY-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001379184366 922055866 /nfs/dbraw/zinc/05/58/66/922055866.db2.gz RFBZIBDDDIYXQP-YPMHNXCESA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001379184362 922056320 /nfs/dbraw/zinc/05/63/20/922056320.db2.gz RFBZIBDDDIYXQP-WCQYABFASA-N 1 1 312.370 -1.120 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001379190185 922056514 /nfs/dbraw/zinc/05/65/14/922056514.db2.gz OWKAHGJUOAVIQT-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1N)c1nncn1C ZINC001379191039 922056777 /nfs/dbraw/zinc/05/67/77/922056777.db2.gz BAPJGBQBTDMHQK-RKDXNWHRSA-N 1 1 322.373 -1.428 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001379184836 922056897 /nfs/dbraw/zinc/05/68/97/922056897.db2.gz DXZIJPKJDNUIPD-MNOVXSKESA-N 1 1 312.374 -1.264 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379198534 922059262 /nfs/dbraw/zinc/05/92/62/922059262.db2.gz RSZQBUAIHJSKMC-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379198531 922060705 /nfs/dbraw/zinc/06/07/05/922060705.db2.gz RSZQBUAIHJSKMC-UWVGGRQHSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ns1 ZINC001379196855 922060733 /nfs/dbraw/zinc/06/07/33/922060733.db2.gz BMHPDNHSVVGKSV-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379201527 922063711 /nfs/dbraw/zinc/06/37/11/922063711.db2.gz WQOKPJCGUXIUAA-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379201526 922063951 /nfs/dbraw/zinc/06/39/51/922063951.db2.gz WQOKPJCGUXIUAA-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001379200629 922065100 /nfs/dbraw/zinc/06/51/00/922065100.db2.gz XVOFIWSWCKLDCW-QWRGUYRKSA-N 1 1 300.315 -1.558 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001379204541 922066393 /nfs/dbraw/zinc/06/63/93/922066393.db2.gz GBHTVMKUVMWTKU-SECBINFHSA-N 1 1 319.369 -1.093 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nonc2C)C1 ZINC001379204097 922066685 /nfs/dbraw/zinc/06/66/85/922066685.db2.gz WZPFLROQBFJDIY-NSHDSACASA-N 1 1 311.342 -1.577 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001379204642 922066773 /nfs/dbraw/zinc/06/67/73/922066773.db2.gz GTNOTZDYSPXDAQ-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO Cc1nc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)co1 ZINC001379205658 922071888 /nfs/dbraw/zinc/07/18/88/922071888.db2.gz ZICRFZAXKYNDCD-IONNQARKSA-N 1 1 309.330 -1.052 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001379207650 922074642 /nfs/dbraw/zinc/07/46/42/922074642.db2.gz NMVHUWPIQSNFOU-UWVGGRQHSA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379207026 922076335 /nfs/dbraw/zinc/07/63/35/922076335.db2.gz QPXCTCKZIVDWCU-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)ncn1 ZINC001379208604 922076641 /nfs/dbraw/zinc/07/66/41/922076641.db2.gz LGUVEEZFWHXVTM-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001379214195 922078177 /nfs/dbraw/zinc/07/81/77/922078177.db2.gz FPUPWLYCQDOSTE-RKDXNWHRSA-N 1 1 311.346 -2.555 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nc1 ZINC001379213543 922079751 /nfs/dbraw/zinc/07/97/51/922079751.db2.gz CZNHWBWYAOEEMP-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001379214345 922079991 /nfs/dbraw/zinc/07/99/91/922079991.db2.gz WJSJWBXRTFCVCO-JKOKRWQUSA-N 1 1 309.370 -1.099 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)[nH]1 ZINC001379225673 922081611 /nfs/dbraw/zinc/08/16/11/922081611.db2.gz NRUGMLKWKRUXAI-GHMZBOCLSA-N 1 1 324.385 -1.452 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001379226113 922082678 /nfs/dbraw/zinc/08/26/78/922082678.db2.gz JTQVEUJRXJJUMZ-ZANVPECISA-N 1 1 309.374 -1.185 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1[nH]nnc1C ZINC001379228411 922085618 /nfs/dbraw/zinc/08/56/18/922085618.db2.gz YHQQZHIMHPRKJL-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O)nc1 ZINC001379229118 922085680 /nfs/dbraw/zinc/08/56/80/922085680.db2.gz OQUXRYBKPSNVII-QWRGUYRKSA-N 1 1 309.370 -1.137 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1c[nH]c(=O)cn1 ZINC001379226564 922086549 /nfs/dbraw/zinc/08/65/49/922086549.db2.gz GBAGHYUUKGVIFO-VIFPVBQESA-N 1 1 304.310 -1.560 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)n1C ZINC001379239874 922093839 /nfs/dbraw/zinc/09/38/39/922093839.db2.gz HSIZSAFJDWEFRR-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)c1=O ZINC001379239347 922094670 /nfs/dbraw/zinc/09/46/70/922094670.db2.gz WGIXMPNHNKQPOE-NSHDSACASA-N 1 1 324.341 -1.773 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379245170 922095111 /nfs/dbraw/zinc/09/51/11/922095111.db2.gz GKUMWRKKNWJYKB-MNOVXSKESA-N 1 1 310.358 -1.917 20 0 DAADMO O=C(CCc1cnn[nH]1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379245170 922095123 /nfs/dbraw/zinc/09/51/23/922095123.db2.gz GKUMWRKKNWJYKB-MNOVXSKESA-N 1 1 310.358 -1.917 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001379243789 922095331 /nfs/dbraw/zinc/09/53/31/922095331.db2.gz LWOPYVIQBHWYDF-SECBINFHSA-N 1 1 321.341 -1.500 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001379250728 922096768 /nfs/dbraw/zinc/09/67/68/922096768.db2.gz XCLXUALMBWJZMT-WCQYABFASA-N 1 1 323.397 -1.065 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2cn[nH]c2)nn1 ZINC001379256870 922100125 /nfs/dbraw/zinc/10/01/25/922100125.db2.gz UUPUAIXBOAHEKP-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO COCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001379255144 922100426 /nfs/dbraw/zinc/10/04/26/922100426.db2.gz QENFBKYQKUYUIH-SNVBAGLBSA-N 1 1 324.341 -1.170 20 0 DAADMO Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)cc1=O ZINC001379259723 922104561 /nfs/dbraw/zinc/10/45/61/922104561.db2.gz GGMPCAALTIPSIL-NSHDSACASA-N 1 1 320.353 -1.687 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)COc1ccccc1 ZINC001379270873 922107851 /nfs/dbraw/zinc/10/78/51/922107851.db2.gz PFMXZQCVSVWKLX-LLVKDONJSA-N 1 1 320.353 -1.144 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)NC1CCCC1 ZINC001379268245 922109404 /nfs/dbraw/zinc/10/94/04/922109404.db2.gz XNRHANCHCWHGBD-JTQLQIEISA-N 1 1 310.358 -1.456 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)NC1CCCC1 ZINC001379268245 922109417 /nfs/dbraw/zinc/10/94/17/922109417.db2.gz XNRHANCHCWHGBD-JTQLQIEISA-N 1 1 310.358 -1.456 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001379264084 922110057 /nfs/dbraw/zinc/11/00/57/922110057.db2.gz URVCBGKQCXKIFZ-MFKMUULPSA-N 1 1 312.374 -1.407 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)[nH]1 ZINC001379277667 922110987 /nfs/dbraw/zinc/11/09/87/922110987.db2.gz OWVUQIZZXAFHFY-NXEZZACHSA-N 1 1 322.373 -1.214 20 0 DAADMO Cn1cncc1CCC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001379274795 922111478 /nfs/dbraw/zinc/11/14/78/922111478.db2.gz HOMYEAIFETUKKX-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001379280155 922112081 /nfs/dbraw/zinc/11/20/81/922112081.db2.gz CMSILEGBASKRRL-GHMZBOCLSA-N 1 1 302.375 -2.493 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001379280322 922112105 /nfs/dbraw/zinc/11/21/05/922112105.db2.gz CMSILEGBASKRRL-MNOVXSKESA-N 1 1 302.375 -2.493 20 0 DAADMO CCc1noc(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379279950 922113514 /nfs/dbraw/zinc/11/35/14/922113514.db2.gz VHBCZNJTMKAXHP-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1)c1nnnn1C ZINC001379286808 922114785 /nfs/dbraw/zinc/11/47/85/922114785.db2.gz KTEIRBNCNYFHRD-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001379283676 922116726 /nfs/dbraw/zinc/11/67/26/922116726.db2.gz GBRORUONMLIRBQ-GXSJLCMTSA-N 1 1 322.373 -1.686 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379289879 922116977 /nfs/dbraw/zinc/11/69/77/922116977.db2.gz PVJJCLOKVBSPOI-SECBINFHSA-N 1 1 320.375 -3.069 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001379287360 922117120 /nfs/dbraw/zinc/11/71/20/922117120.db2.gz DKIYOWBFHTXCPK-LLVKDONJSA-N 1 1 307.358 -1.239 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379294582 922118981 /nfs/dbraw/zinc/11/89/81/922118981.db2.gz SHUILWVIWUMCJK-VXGBXAGGSA-N 1 1 324.385 -1.309 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)CS(C)(=O)=O)nn1 ZINC001379344853 922126079 /nfs/dbraw/zinc/12/60/79/922126079.db2.gz OVYLXEFZQXRRRR-SECBINFHSA-N 1 1 303.388 -1.063 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001379346874 922130620 /nfs/dbraw/zinc/13/06/20/922130620.db2.gz DUMAIUFHMBDRAZ-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001379352406 922130898 /nfs/dbraw/zinc/13/08/98/922130898.db2.gz FJNFZHGSLCKOPA-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379357087 922133368 /nfs/dbraw/zinc/13/33/68/922133368.db2.gz BHIXUFVWGHCTLS-GHMZBOCLSA-N 1 1 324.385 -1.548 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379358239 922134502 /nfs/dbraw/zinc/13/45/02/922134502.db2.gz FHKAUHDOTXRHTF-LLVKDONJSA-N 1 1 311.342 -1.292 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001379367604 922135210 /nfs/dbraw/zinc/13/52/10/922135210.db2.gz IKHFBHCGQHNZET-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001379364220 922137153 /nfs/dbraw/zinc/13/71/53/922137153.db2.gz SOEAYFQVJYWQPS-GXFFZTMASA-N 1 1 309.370 -1.124 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 ZINC001379366304 922137203 /nfs/dbraw/zinc/13/72/03/922137203.db2.gz IQXVNWDLIAZHRB-DGCLKSJQSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379367808 922138816 /nfs/dbraw/zinc/13/88/16/922138816.db2.gz MGQRHMAYPDVGLD-GHMZBOCLSA-N 1 1 309.370 -1.487 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1nnnn1C1CC1 ZINC001379371119 922138854 /nfs/dbraw/zinc/13/88/54/922138854.db2.gz LWQPUYVIEFFKTC-JQWIXIFHSA-N 1 1 323.401 -1.331 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)c1cnccn1 ZINC001379371742 922139715 /nfs/dbraw/zinc/13/97/15/922139715.db2.gz ZDTGNRQLTCKCIG-ZJUUUORDSA-N 1 1 316.383 -1.351 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O)c1cnccn1 ZINC001379371736 922140025 /nfs/dbraw/zinc/14/00/25/922140025.db2.gz ZDTGNRQLTCKCIG-NXEZZACHSA-N 1 1 316.383 -1.351 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCc1nnnn1C1CC1 ZINC001379371125 922140539 /nfs/dbraw/zinc/14/05/39/922140539.db2.gz LWQPUYVIEFFKTC-PWSUYJOCSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1[nH]c(CN[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001379376428 922142354 /nfs/dbraw/zinc/14/23/54/922142354.db2.gz XKDXPMWSTHCDJO-ZJUUUORDSA-N 1 1 312.374 -2.231 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001379375955 922142515 /nfs/dbraw/zinc/14/25/15/922142515.db2.gz RZGZQQWJXGSJIA-TZMCWYRMSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)CCO2)cn1 ZINC001379378228 922142658 /nfs/dbraw/zinc/14/26/58/922142658.db2.gz YZGKDFFUULZGRR-ZIAGYGMSSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379376434 922143167 /nfs/dbraw/zinc/14/31/67/922143167.db2.gz XKMDFYJFSJWRIW-WCQYABFASA-N 1 1 312.414 -1.232 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2)[C@H]1CCC(=O)N1 ZINC001379375628 922143979 /nfs/dbraw/zinc/14/39/79/922143979.db2.gz VVGUTCMPRQMCAD-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001379392379 922150097 /nfs/dbraw/zinc/15/00/97/922150097.db2.gz BLTHRSYVHKMCEP-LBPRGKRZSA-N 1 1 312.370 -1.118 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1ncnn1)c1cnccn1 ZINC001379393080 922150643 /nfs/dbraw/zinc/15/06/43/922150643.db2.gz CXMFJPDVRNADNN-VHSXEESVSA-N 1 1 306.330 -1.709 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001379393941 922151527 /nfs/dbraw/zinc/15/15/27/922151527.db2.gz GEAABXKQEYXNKE-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379397059 922154364 /nfs/dbraw/zinc/15/43/64/922154364.db2.gz NDWJXZXLNKLFJM-JHJVBQTASA-N 1 1 314.430 -1.081 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379397059 922154370 /nfs/dbraw/zinc/15/43/70/922154370.db2.gz NDWJXZXLNKLFJM-JHJVBQTASA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1C ZINC001379407702 922158101 /nfs/dbraw/zinc/15/81/01/922158101.db2.gz NSJHHFLQXLZLAR-AAEUAGOBSA-N 1 1 323.397 -1.226 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@@H+]1C ZINC001379403887 922159847 /nfs/dbraw/zinc/15/98/47/922159847.db2.gz ZKHYHNZRJPFAFP-KXUCPTDWSA-N 1 1 312.374 -1.583 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@H+]1C ZINC001379403887 922159851 /nfs/dbraw/zinc/15/98/51/922159851.db2.gz ZKHYHNZRJPFAFP-KXUCPTDWSA-N 1 1 312.374 -1.583 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001379412755 922160926 /nfs/dbraw/zinc/16/09/26/922160926.db2.gz PDWBNBQZMSZJOU-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001379412753 922162473 /nfs/dbraw/zinc/16/24/73/922162473.db2.gz PDWBNBQZMSZJOU-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001379426872 922168828 /nfs/dbraw/zinc/16/88/28/922168828.db2.gz OJUZYDQJSVLBTD-KOLCDFICSA-N 1 1 317.390 -2.166 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001379425473 922169104 /nfs/dbraw/zinc/16/91/04/922169104.db2.gz OEPRHSCGUXTMRS-GXSJLCMTSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001379430578 922171030 /nfs/dbraw/zinc/17/10/30/922171030.db2.gz YVEPLJRSDCPNRE-KOLCDFICSA-N 1 1 314.390 -1.337 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001379428898 922171999 /nfs/dbraw/zinc/17/19/99/922171999.db2.gz WRJBKISDTHJAHU-NEPJUHHUSA-N 1 1 323.397 -1.145 20 0 DAADMO O=C(NC[C@H](CO)N[C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001379433615 922174831 /nfs/dbraw/zinc/17/48/31/922174831.db2.gz LCAQJEBGCSBLJM-CHWSQXEVSA-N 1 1 324.425 -1.040 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1nnn(C)n1 ZINC001379439085 922177041 /nfs/dbraw/zinc/17/70/41/922177041.db2.gz FMZKWGSVGCTDBT-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO CCc1c(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cnn1C ZINC001379440446 922177332 /nfs/dbraw/zinc/17/73/32/922177332.db2.gz YJBPLKCFTSWECH-JTQLQIEISA-N 1 1 321.385 -1.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1nnn(C)n1 ZINC001379439088 922178883 /nfs/dbraw/zinc/17/88/83/922178883.db2.gz FMZKWGSVGCTDBT-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC(=O)CC2)n1 ZINC001379453064 922181401 /nfs/dbraw/zinc/18/14/01/922181401.db2.gz XTANNJLVAUGLHG-AAEUAGOBSA-N 1 1 323.397 -1.097 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)n1C ZINC001379461770 922185033 /nfs/dbraw/zinc/18/50/33/922185033.db2.gz IUTJWSVVSJJCHF-SECBINFHSA-N 1 1 323.357 -1.382 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001379463389 922185292 /nfs/dbraw/zinc/18/52/92/922185292.db2.gz LALBTACFRZPDLZ-MNOVXSKESA-N 1 1 309.370 -1.392 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001379476504 922191471 /nfs/dbraw/zinc/19/14/71/922191471.db2.gz KGBWJRBIPRSNLH-SECBINFHSA-N 1 1 312.374 -1.581 20 0 DAADMO CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001379474443 922192307 /nfs/dbraw/zinc/19/23/07/922192307.db2.gz DIKCHJBYQBTGRK-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379475574 922193679 /nfs/dbraw/zinc/19/36/79/922193679.db2.gz HZQSGIPXZDPRKH-WCBMZHEXSA-N 1 1 311.346 -2.454 20 0 DAADMO CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001379474450 922193835 /nfs/dbraw/zinc/19/38/35/922193835.db2.gz DIKCHJBYQBTGRK-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001379494376 922200257 /nfs/dbraw/zinc/20/02/57/922200257.db2.gz CKAXIARAXVWZNI-ZYHUDNBSSA-N 1 1 311.386 -1.257 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1ncn(C)n1 ZINC001379494102 922200402 /nfs/dbraw/zinc/20/04/02/922200402.db2.gz VDHCKAXRZDGNBT-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001379497382 922204220 /nfs/dbraw/zinc/20/42/20/922204220.db2.gz MKFTZFGSTMBXMP-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O)n1 ZINC001379497073 922204375 /nfs/dbraw/zinc/20/43/75/922204375.db2.gz WREXMQTYDMLFTA-VIFPVBQESA-N 1 1 303.388 -1.063 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001379506962 922206100 /nfs/dbraw/zinc/20/61/00/922206100.db2.gz JTJHJYDYNOYGDQ-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001379505409 922206859 /nfs/dbraw/zinc/20/68/59/922206859.db2.gz NYRAOQNPXPWTER-LBPRGKRZSA-N 1 1 312.414 -1.327 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001379504039 922207043 /nfs/dbraw/zinc/20/70/43/922207043.db2.gz RVONOXKMXYMFAS-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCN(C)C1=O ZINC001379504039 922207055 /nfs/dbraw/zinc/20/70/55/922207055.db2.gz RVONOXKMXYMFAS-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)N1CCCC1 ZINC001379502019 922207252 /nfs/dbraw/zinc/20/72/52/922207252.db2.gz CUKQTAYYBMAFMN-CYBMUJFWSA-N 1 1 324.425 -1.229 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001379509537 922208789 /nfs/dbraw/zinc/20/87/89/922208789.db2.gz QLVOZMMQCIZVNJ-JTQLQIEISA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1cnccn1 ZINC001379508390 922209500 /nfs/dbraw/zinc/20/95/00/922209500.db2.gz OWVUYYNXDPTIKN-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO COc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001379508746 922210573 /nfs/dbraw/zinc/21/05/73/922210573.db2.gz PWTZABPLKVXPSR-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001379511036 922210668 /nfs/dbraw/zinc/21/06/68/922210668.db2.gz HGCFDEORTMIQAD-ZETCQYMHSA-N 1 1 302.360 -2.151 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1cnccn1 ZINC001379508389 922211453 /nfs/dbraw/zinc/21/14/53/922211453.db2.gz OWVUYYNXDPTIKN-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CCN1CCCC1=O ZINC001379523749 922212490 /nfs/dbraw/zinc/21/24/90/922212490.db2.gz FYAVAEMSZPUIMQ-GFCCVEGCSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)c2ccc(=O)n(C)n2)o1 ZINC001379524753 922216945 /nfs/dbraw/zinc/21/69/45/922216945.db2.gz GZRJSXOGOZVOAJ-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379527539 922218986 /nfs/dbraw/zinc/21/89/86/922218986.db2.gz NPFUBRYUXHYKBF-QWHCGFSZSA-N 1 1 314.430 -1.223 20 0 DAADMO CC(C)CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379527539 922218997 /nfs/dbraw/zinc/21/89/97/922218997.db2.gz NPFUBRYUXHYKBF-QWHCGFSZSA-N 1 1 314.430 -1.223 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379564509 922225749 /nfs/dbraw/zinc/22/57/49/922225749.db2.gz OMHKFMFZZRNHLN-YUMQZZPRSA-N 1 1 309.330 -1.993 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nncn2C)[C@H]1C ZINC001379540282 922226055 /nfs/dbraw/zinc/22/60/55/922226055.db2.gz MIUCJRMHUQSKKE-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001379590724 922229109 /nfs/dbraw/zinc/22/91/09/922229109.db2.gz DVALEZHBLPJGFA-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001379613334 922232116 /nfs/dbraw/zinc/23/21/16/922232116.db2.gz DOZOUXTUOMRBNM-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001379613334 922232127 /nfs/dbraw/zinc/23/21/27/922232127.db2.gz DOZOUXTUOMRBNM-DTWKUNHWSA-N 1 1 315.374 -1.597 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001379612167 922232199 /nfs/dbraw/zinc/23/21/99/922232199.db2.gz DAMGECVGFSVFGF-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001379613335 922232652 /nfs/dbraw/zinc/23/26/52/922232652.db2.gz DOZOUXTUOMRBNM-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001379613335 922232666 /nfs/dbraw/zinc/23/26/66/922232666.db2.gz DOZOUXTUOMRBNM-IUCAKERBSA-N 1 1 315.374 -1.597 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001379622382 922233108 /nfs/dbraw/zinc/23/31/08/922233108.db2.gz XJGZQBFRFCCQHH-CMPLNLGQSA-N 1 1 320.415 -1.854 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC001379647191 922234756 /nfs/dbraw/zinc/23/47/56/922234756.db2.gz CGTRCUGSKUKVIN-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC001379647191 922234768 /nfs/dbraw/zinc/23/47/68/922234768.db2.gz CGTRCUGSKUKVIN-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)Cc1nnc[nH]1 ZINC001379666224 922235391 /nfs/dbraw/zinc/23/53/91/922235391.db2.gz PEUXNNQUOWFHOR-QWRGUYRKSA-N 1 1 324.385 -1.263 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001379664300 922235659 /nfs/dbraw/zinc/23/56/59/922235659.db2.gz PLVUZGXFUVJPLG-QWRGUYRKSA-N 1 1 324.447 -1.458 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001379676686 922235816 /nfs/dbraw/zinc/23/58/16/922235816.db2.gz DWMMLOWJWKDYKI-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001379676686 922235824 /nfs/dbraw/zinc/23/58/24/922235824.db2.gz DWMMLOWJWKDYKI-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379658665 922236106 /nfs/dbraw/zinc/23/61/06/922236106.db2.gz MLFVXFJTCWLGNY-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379658665 922236116 /nfs/dbraw/zinc/23/61/16/922236116.db2.gz MLFVXFJTCWLGNY-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@@H+]1CC(N)=O ZINC001379647189 922236216 /nfs/dbraw/zinc/23/62/16/922236216.db2.gz CGTRCUGSKUKVIN-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CC(N)=O ZINC001379647189 922236225 /nfs/dbraw/zinc/23/62/25/922236225.db2.gz CGTRCUGSKUKVIN-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001379632940 922236878 /nfs/dbraw/zinc/23/68/78/922236878.db2.gz QARFVMXXYXMFFM-UEKVPHQBSA-N 1 1 323.397 -1.083 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001379676688 922237135 /nfs/dbraw/zinc/23/71/35/922237135.db2.gz DWMMLOWJWKDYKI-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001379676688 922237149 /nfs/dbraw/zinc/23/71/49/922237149.db2.gz DWMMLOWJWKDYKI-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CNC(=O)N3)CCC[C@H]12 ZINC001379632948 922237183 /nfs/dbraw/zinc/23/71/83/922237183.db2.gz QARFVMXXYXMFFM-ZIBATOQPSA-N 1 1 323.397 -1.083 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001379656399 922237651 /nfs/dbraw/zinc/23/76/51/922237651.db2.gz NRMJUTOQFRKEFA-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1nncc1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379656399 922237667 /nfs/dbraw/zinc/23/76/67/922237667.db2.gz NRMJUTOQFRKEFA-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001379646458 922237936 /nfs/dbraw/zinc/23/79/36/922237936.db2.gz MXXSFNSXEBJKMB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001379646458 922237955 /nfs/dbraw/zinc/23/79/55/922237955.db2.gz MXXSFNSXEBJKMB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001379714911 922239174 /nfs/dbraw/zinc/23/91/74/922239174.db2.gz RGFBRDXJNOYZJK-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001379714911 922239191 /nfs/dbraw/zinc/23/91/91/922239191.db2.gz RGFBRDXJNOYZJK-WPRPVWTQSA-N 1 1 308.342 -1.713 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cnccn1 ZINC001379741536 922242565 /nfs/dbraw/zinc/24/25/65/922242565.db2.gz GICKFWQLXJOUGV-SECBINFHSA-N 1 1 306.330 -1.777 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)[nH]1 ZINC001379743333 922243755 /nfs/dbraw/zinc/24/37/55/922243755.db2.gz JRDDUJMSLORLNZ-SCZZXKLOSA-N 1 1 323.361 -1.730 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001379736917 922244218 /nfs/dbraw/zinc/24/42/18/922244218.db2.gz AJRIGBNPJMDYMH-WCBMZHEXSA-N 1 1 308.346 -1.283 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379739247 922244493 /nfs/dbraw/zinc/24/44/93/922244493.db2.gz JUEUQCWACSOFRL-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379739247 922244504 /nfs/dbraw/zinc/24/45/04/922244504.db2.gz JUEUQCWACSOFRL-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1C ZINC001379729336 922244739 /nfs/dbraw/zinc/24/47/39/922244739.db2.gz ZZCCXIGRMCJBKI-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1C ZINC001379729336 922244749 /nfs/dbraw/zinc/24/47/49/922244749.db2.gz ZZCCXIGRMCJBKI-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)[nH]1 ZINC001379743340 922244929 /nfs/dbraw/zinc/24/49/29/922244929.db2.gz JRDDUJMSLORLNZ-WPRPVWTQSA-N 1 1 323.361 -1.730 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379756846 922247346 /nfs/dbraw/zinc/24/73/46/922247346.db2.gz JKMIIESMJIJACA-VHSXEESVSA-N 1 1 312.374 -1.487 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379762567 922250627 /nfs/dbraw/zinc/25/06/27/922250627.db2.gz YMZLTCBWSBPVCK-UWVGGRQHSA-N 1 1 312.370 -1.485 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761265 922251921 /nfs/dbraw/zinc/25/19/21/922251921.db2.gz JJTJVIXKHMKNNS-QWRGUYRKSA-N 1 1 309.370 -1.056 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001379761265 922251928 /nfs/dbraw/zinc/25/19/28/922251928.db2.gz JJTJVIXKHMKNNS-QWRGUYRKSA-N 1 1 309.370 -1.056 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001379761700 922252019 /nfs/dbraw/zinc/25/20/19/922252019.db2.gz SBOUNBBKCZNSDW-NXEZZACHSA-N 1 1 310.358 -1.699 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001379763489 922252322 /nfs/dbraw/zinc/25/23/22/922252322.db2.gz WFFDHNNTXZXJLY-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCNC(=O)C2)[nH]1 ZINC001379765705 922252647 /nfs/dbraw/zinc/25/26/47/922252647.db2.gz OFQOWOLARXVTJN-MNOVXSKESA-N 1 1 324.385 -1.452 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761267 922253039 /nfs/dbraw/zinc/25/30/39/922253039.db2.gz QXJVDKNOHMGLRE-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379761267 922253054 /nfs/dbraw/zinc/25/30/54/922253054.db2.gz QXJVDKNOHMGLRE-SECBINFHSA-N 1 1 322.431 -1.503 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cncnc1 ZINC001379770534 922255416 /nfs/dbraw/zinc/25/54/16/922255416.db2.gz FLVZJZGKWFDGBQ-GFCCVEGCSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)nn1 ZINC001379777365 922258169 /nfs/dbraw/zinc/25/81/69/922258169.db2.gz JNHXNLBBSLKRCC-VIFPVBQESA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ncn(C)n1 ZINC001379782032 922259188 /nfs/dbraw/zinc/25/91/88/922259188.db2.gz UGEXQEDKWMYMND-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785973 922259869 /nfs/dbraw/zinc/25/98/69/922259869.db2.gz SBGHXQFUFLEYBM-SCZZXKLOSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785973 922259884 /nfs/dbraw/zinc/25/98/84/922259884.db2.gz SBGHXQFUFLEYBM-SCZZXKLOSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785975 922261053 /nfs/dbraw/zinc/26/10/53/922261053.db2.gz SBGHXQFUFLEYBM-WCBMZHEXSA-N 1 1 323.353 -1.576 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379785975 922261064 /nfs/dbraw/zinc/26/10/64/922261064.db2.gz SBGHXQFUFLEYBM-WCBMZHEXSA-N 1 1 323.353 -1.576 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379795198 922262426 /nfs/dbraw/zinc/26/24/26/922262426.db2.gz JMUGXFLGUWIOSW-PWSUYJOCSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@]12C[C@H]1COC2 ZINC001379794956 922263533 /nfs/dbraw/zinc/26/35/33/922263533.db2.gz UXGWIYSGYZFEOC-JKOKRWQUSA-N 1 1 309.370 -1.240 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)NC1 ZINC001379799497 922265775 /nfs/dbraw/zinc/26/57/75/922265775.db2.gz FXGGMSXPWJCSPL-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1ccnc1 ZINC001379803204 922266134 /nfs/dbraw/zinc/26/61/34/922266134.db2.gz HUZKTURLSDVHAQ-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ccnc1 ZINC001379803204 922266153 /nfs/dbraw/zinc/26/61/53/922266153.db2.gz HUZKTURLSDVHAQ-JTQLQIEISA-N 1 1 310.358 -1.225 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)o1 ZINC001379796592 922267536 /nfs/dbraw/zinc/26/75/36/922267536.db2.gz YBBKTBVGAZREON-SNVBAGLBSA-N 1 1 323.357 -1.167 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001379799482 922267959 /nfs/dbraw/zinc/26/79/59/922267959.db2.gz FXGGMSXPWJCSPL-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnoc1 ZINC001379813154 922268399 /nfs/dbraw/zinc/26/83/99/922268399.db2.gz IFBIRMVABGSEQK-LBPRGKRZSA-N 1 1 308.342 -1.045 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001379823849 922271741 /nfs/dbraw/zinc/27/17/41/922271741.db2.gz NLISGWDKWQKSSG-WPRPVWTQSA-N 1 1 313.358 -1.202 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379820439 922272245 /nfs/dbraw/zinc/27/22/45/922272245.db2.gz FUJZLTNEDXOSCY-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379817772 922272592 /nfs/dbraw/zinc/27/25/92/922272592.db2.gz BIQKVODCYXOJAJ-BDAKNGLRSA-N 1 1 311.346 -2.595 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001379826246 922273358 /nfs/dbraw/zinc/27/33/58/922273358.db2.gz RRTRCNLRYOGKSZ-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001379817786 922273457 /nfs/dbraw/zinc/27/34/57/922273457.db2.gz BIQKVODCYXOJAJ-RKDXNWHRSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001379820809 922273540 /nfs/dbraw/zinc/27/35/40/922273540.db2.gz XRZPAHUGQNNHHD-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379827868 922274732 /nfs/dbraw/zinc/27/47/32/922274732.db2.gz USZQMNPLUNAVMB-VHSXEESVSA-N 1 1 312.330 -1.998 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379827856 922275012 /nfs/dbraw/zinc/27/50/12/922275012.db2.gz USZQMNPLUNAVMB-UWVGGRQHSA-N 1 1 312.330 -1.998 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379827849 922277029 /nfs/dbraw/zinc/27/70/29/922277029.db2.gz USZQMNPLUNAVMB-NXEZZACHSA-N 1 1 312.330 -1.998 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccco1 ZINC001379858457 922278634 /nfs/dbraw/zinc/27/86/34/922278634.db2.gz WIYGUPHZZWEAIB-JTQLQIEISA-N 1 1 308.342 -1.045 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccc(=O)n(C)n1 ZINC001379856741 922280590 /nfs/dbraw/zinc/28/05/90/922280590.db2.gz FPDDQNLNFVESJQ-JTQLQIEISA-N 1 1 322.325 -1.614 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1CCC(=O)N1 ZINC001379847190 922280955 /nfs/dbraw/zinc/28/09/55/922280955.db2.gz XTRFNAXVCPGNPV-KOLCDFICSA-N 1 1 311.342 -1.353 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001379855791 922280978 /nfs/dbraw/zinc/28/09/78/922280978.db2.gz RCKFDTOSUVSVMF-SNVBAGLBSA-N 1 1 323.357 -1.342 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379867463 922281807 /nfs/dbraw/zinc/28/18/07/922281807.db2.gz YXNVCPKRVBZFRB-KWQFWETISA-N 1 1 309.374 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001379866770 922283972 /nfs/dbraw/zinc/28/39/72/922283972.db2.gz YGSXXUMQEKTTPZ-GZMMTYOYSA-N 1 1 309.374 -1.144 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1cncn1 ZINC001379869703 922284033 /nfs/dbraw/zinc/28/40/33/922284033.db2.gz XFKYDTVCAWSURD-LLVKDONJSA-N 1 1 308.346 -1.984 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001379865556 922284504 /nfs/dbraw/zinc/28/45/04/922284504.db2.gz ITHBPRXBTZLCDY-ZJUUUORDSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)COC ZINC001379865552 922284557 /nfs/dbraw/zinc/28/45/57/922284557.db2.gz ITHBPRXBTZLCDY-UWVGGRQHSA-N 1 1 318.374 -1.772 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001379894820 922286515 /nfs/dbraw/zinc/28/65/15/922286515.db2.gz CNDAYBKOGCJFNB-NXEZZACHSA-N 1 1 313.362 -2.312 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379890153 922286600 /nfs/dbraw/zinc/28/66/00/922286600.db2.gz REDMOCHAGWXCDR-KOLCDFICSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379890153 922286619 /nfs/dbraw/zinc/28/66/19/922286619.db2.gz REDMOCHAGWXCDR-KOLCDFICSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001379874389 922288063 /nfs/dbraw/zinc/28/80/63/922288063.db2.gz XGNRZBAEIGLZAV-SSDOTTSWSA-N 1 1 310.301 -1.542 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001379874389 922288068 /nfs/dbraw/zinc/28/80/68/922288068.db2.gz XGNRZBAEIGLZAV-SSDOTTSWSA-N 1 1 310.301 -1.542 20 0 DAADMO CCc1nc[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379871301 922288806 /nfs/dbraw/zinc/28/88/06/922288806.db2.gz HKVXESCGPCXRBJ-SECBINFHSA-N 1 1 322.373 -1.282 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897154 922288881 /nfs/dbraw/zinc/28/88/81/922288881.db2.gz IUMUAXVXLDBSAD-NWDGAFQWSA-N 1 1 311.386 -1.231 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897154 922288892 /nfs/dbraw/zinc/28/88/92/922288892.db2.gz IUMUAXVXLDBSAD-NWDGAFQWSA-N 1 1 311.386 -1.231 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001379912646 922289747 /nfs/dbraw/zinc/28/97/47/922289747.db2.gz CLLQLEIXZIGJMI-NXEZZACHSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001379912646 922289762 /nfs/dbraw/zinc/28/97/62/922289762.db2.gz CLLQLEIXZIGJMI-NXEZZACHSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001379912655 922290516 /nfs/dbraw/zinc/29/05/16/922290516.db2.gz CLLQLEIXZIGJMI-UWVGGRQHSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001379912655 922290529 /nfs/dbraw/zinc/29/05/29/922290529.db2.gz CLLQLEIXZIGJMI-UWVGGRQHSA-N 1 1 316.358 -2.066 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001379906859 922291399 /nfs/dbraw/zinc/29/13/99/922291399.db2.gz HQBIFSYDRWNKBQ-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001379906859 922291417 /nfs/dbraw/zinc/29/14/17/922291417.db2.gz HQBIFSYDRWNKBQ-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001379911153 922291534 /nfs/dbraw/zinc/29/15/34/922291534.db2.gz DSOGQOVRHSPXKA-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001379911153 922291546 /nfs/dbraw/zinc/29/15/46/922291546.db2.gz DSOGQOVRHSPXKA-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001379920138 922292620 /nfs/dbraw/zinc/29/26/20/922292620.db2.gz XEMHHIHPNPHARR-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905405 922292855 /nfs/dbraw/zinc/29/28/55/922292855.db2.gz DASDGCCMOWGZTJ-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379905405 922292870 /nfs/dbraw/zinc/29/28/70/922292870.db2.gz DASDGCCMOWGZTJ-PWSUYJOCSA-N 1 1 311.386 -1.413 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001379911207 922293439 /nfs/dbraw/zinc/29/34/39/922293439.db2.gz DSOGQOVRHSPXKA-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001379911207 922293454 /nfs/dbraw/zinc/29/34/54/922293454.db2.gz DSOGQOVRHSPXKA-ZJUUUORDSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C2CCC2)nn1 ZINC001379909894 922293559 /nfs/dbraw/zinc/29/35/59/922293559.db2.gz AZTWPYZUJSDWPY-NSHDSACASA-N 1 1 324.385 -1.147 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C2CCC2)nn1 ZINC001379909894 922293572 /nfs/dbraw/zinc/29/35/72/922293572.db2.gz AZTWPYZUJSDWPY-NSHDSACASA-N 1 1 324.385 -1.147 20 0 DAADMO COCc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001379931363 922295214 /nfs/dbraw/zinc/29/52/14/922295214.db2.gz LMYFPVKTKBWMMY-LLVKDONJSA-N 1 1 314.386 -1.077 20 0 DAADMO C[C@H]([NH2+]C[C@H](NC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001379921905 922295792 /nfs/dbraw/zinc/29/57/92/922295792.db2.gz NNJYNULQKPPANI-WPRPVWTQSA-N 1 1 324.389 -1.186 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](NC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001379921902 922296539 /nfs/dbraw/zinc/29/65/39/922296539.db2.gz NNJYNULQKPPANI-PSASIEDQSA-N 1 1 324.389 -1.186 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)CC1=O ZINC001379932370 922296647 /nfs/dbraw/zinc/29/66/47/922296647.db2.gz DLUPOXIRQIZLIW-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CCN1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)CC1=O ZINC001379932370 922296658 /nfs/dbraw/zinc/29/66/58/922296658.db2.gz DLUPOXIRQIZLIW-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)COC ZINC001379933890 922296680 /nfs/dbraw/zinc/29/66/80/922296680.db2.gz FXYBWNKCGBCUTM-WDEREUQCSA-N 1 1 304.391 -1.299 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001379930200 922297148 /nfs/dbraw/zinc/29/71/48/922297148.db2.gz BNJBEVWJYVCGPI-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001379930200 922297167 /nfs/dbraw/zinc/29/71/67/922297167.db2.gz BNJBEVWJYVCGPI-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001379923424 922298280 /nfs/dbraw/zinc/29/82/80/922298280.db2.gz PCBUDBYYCPQKCI-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc(Cl)n(C)n1 ZINC001379942347 922299252 /nfs/dbraw/zinc/29/92/52/922299252.db2.gz YNGPHECVDWUVAP-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc(Cl)n(C)n1 ZINC001379942347 922299263 /nfs/dbraw/zinc/29/92/63/922299263.db2.gz YNGPHECVDWUVAP-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cccn2nnnc12 ZINC001379958260 922299640 /nfs/dbraw/zinc/29/96/40/922299640.db2.gz FICHHEZLVKOCFD-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001379948773 922299764 /nfs/dbraw/zinc/29/97/64/922299764.db2.gz KNHGWUKOELZFAA-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001379948773 922299780 /nfs/dbraw/zinc/29/97/80/922299780.db2.gz KNHGWUKOELZFAA-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001379969585 922304167 /nfs/dbraw/zinc/30/41/67/922304167.db2.gz OBVXDAIZCXSMCA-PWSUYJOCSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001379969070 922305150 /nfs/dbraw/zinc/30/51/50/922305150.db2.gz NEHJGHOLNWYNIJ-GXSJLCMTSA-N 1 1 311.342 -1.335 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001379969518 922305247 /nfs/dbraw/zinc/30/52/47/922305247.db2.gz NWKQLIVVQVUKCL-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379969268 922305729 /nfs/dbraw/zinc/30/57/29/922305729.db2.gz PLTIRWKKDKCALU-MELADBBJSA-N 1 1 317.430 -1.161 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001379969268 922305738 /nfs/dbraw/zinc/30/57/38/922305738.db2.gz PLTIRWKKDKCALU-MELADBBJSA-N 1 1 317.430 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962058 922306201 /nfs/dbraw/zinc/30/62/01/922306201.db2.gz JCBDPXACLWHUDF-DTWKUNHWSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962058 922306218 /nfs/dbraw/zinc/30/62/18/922306218.db2.gz JCBDPXACLWHUDF-DTWKUNHWSA-N 1 1 313.358 -1.636 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001379969579 922306554 /nfs/dbraw/zinc/30/65/54/922306554.db2.gz OBVXDAIZCXSMCA-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962068 922306595 /nfs/dbraw/zinc/30/65/95/922306595.db2.gz JCBDPXACLWHUDF-IUCAKERBSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001379962068 922306611 /nfs/dbraw/zinc/30/66/11/922306611.db2.gz JCBDPXACLWHUDF-IUCAKERBSA-N 1 1 313.358 -1.636 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2nncn2c1 ZINC001379963965 922306916 /nfs/dbraw/zinc/30/69/16/922306916.db2.gz NJFFYBCIXQGEFG-NSHDSACASA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2nncn2c1 ZINC001379963965 922306934 /nfs/dbraw/zinc/30/69/34/922306934.db2.gz NJFFYBCIXQGEFG-NSHDSACASA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001379974034 922307715 /nfs/dbraw/zinc/30/77/15/922307715.db2.gz RABGBYWRXUXFIO-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976329 922307790 /nfs/dbraw/zinc/30/77/90/922307790.db2.gz LLDOHYCLPIALQM-WDEREUQCSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001379976329 922307803 /nfs/dbraw/zinc/30/78/03/922307803.db2.gz LLDOHYCLPIALQM-WDEREUQCSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001379975463 922308142 /nfs/dbraw/zinc/30/81/42/922308142.db2.gz UKSDOBFAHDHZHT-WDEREUQCSA-N 1 1 324.381 -1.074 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379974619 922308240 /nfs/dbraw/zinc/30/82/40/922308240.db2.gz RPQCRGXJCPLNMC-NEPJUHHUSA-N 1 1 300.403 -1.565 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001379977509 922308771 /nfs/dbraw/zinc/30/87/71/922308771.db2.gz ZVXACZWLMRPOQC-MNOVXSKESA-N 1 1 308.400 -1.693 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001379977509 922308780 /nfs/dbraw/zinc/30/87/80/922308780.db2.gz ZVXACZWLMRPOQC-MNOVXSKESA-N 1 1 308.400 -1.693 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974960 922309947 /nfs/dbraw/zinc/30/99/47/922309947.db2.gz VMLZGFSLJRTQIR-WDEREUQCSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379974960 922309960 /nfs/dbraw/zinc/30/99/60/922309960.db2.gz VMLZGFSLJRTQIR-WDEREUQCSA-N 1 1 311.386 -1.162 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001379974441 922310061 /nfs/dbraw/zinc/31/00/61/922310061.db2.gz VSWOGOOLNIYKLR-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001379970100 922311235 /nfs/dbraw/zinc/31/12/35/922311235.db2.gz KTFFJNCDIMLJEP-QWHCGFSZSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC001379970100 922311251 /nfs/dbraw/zinc/31/12/51/922311251.db2.gz KTFFJNCDIMLJEP-QWHCGFSZSA-N 1 1 314.430 -1.034 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cccn1)C(=O)c1nnn(C)n1 ZINC001379974370 922311469 /nfs/dbraw/zinc/31/14/69/922311469.db2.gz VOKWKLSQFQKARE-LLVKDONJSA-N 1 1 322.373 -1.529 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001379989624 922312436 /nfs/dbraw/zinc/31/24/36/922312436.db2.gz YVWZWXAVBRPQOL-GFCCVEGCSA-N 1 1 322.369 -1.673 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001379989624 922312452 /nfs/dbraw/zinc/31/24/52/922312452.db2.gz YVWZWXAVBRPQOL-GFCCVEGCSA-N 1 1 322.369 -1.673 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001379984241 922312984 /nfs/dbraw/zinc/31/29/84/922312984.db2.gz WDMRXZZDVBPXOW-JTQLQIEISA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001379984241 922313001 /nfs/dbraw/zinc/31/30/01/922313001.db2.gz WDMRXZZDVBPXOW-JTQLQIEISA-N 1 1 310.354 -1.765 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001379985405 922313106 /nfs/dbraw/zinc/31/31/06/922313106.db2.gz QPQRWZNAKQLEKT-DGCLKSJQSA-N 1 1 313.402 -1.120 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379984643 922313188 /nfs/dbraw/zinc/31/31/88/922313188.db2.gz NEPISSLGYCQVRF-WDEREUQCSA-N 1 1 314.386 -1.531 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001379984246 922313475 /nfs/dbraw/zinc/31/34/75/922313475.db2.gz WDMRXZZDVBPXOW-SNVBAGLBSA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccn(C)c1=O ZINC001379984246 922313492 /nfs/dbraw/zinc/31/34/92/922313492.db2.gz WDMRXZZDVBPXOW-SNVBAGLBSA-N 1 1 310.354 -1.765 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001379986262 922313803 /nfs/dbraw/zinc/31/38/03/922313803.db2.gz QJUVICWBOPVRRE-MNOVXSKESA-N 1 1 320.415 -1.733 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)Cn1ncn2nccc2c1=O ZINC001380019538 922319593 /nfs/dbraw/zinc/31/95/93/922319593.db2.gz ZGZIDFVGPRQWKU-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO CCn1cc(C[NH2+]C2(CNC(=O)Cn3cnnn3)CC2)nn1 ZINC001380048251 922322782 /nfs/dbraw/zinc/32/27/82/922322782.db2.gz BZYIQTITAOQYMA-UHFFFAOYSA-N 1 1 305.346 -1.277 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001380035549 922323120 /nfs/dbraw/zinc/32/31/20/922323120.db2.gz IOJGZJBTJHDPTO-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001380035549 922323136 /nfs/dbraw/zinc/32/31/36/922323136.db2.gz IOJGZJBTJHDPTO-NXEZZACHSA-N 1 1 323.353 -1.613 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)c1N)[C@H]1CCNC1=O ZINC001380099353 922328602 /nfs/dbraw/zinc/32/86/02/922328602.db2.gz BKWIYPHNPFRGAI-NSHDSACASA-N 1 1 324.385 -1.431 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)c1N)[C@H]1CCNC1=O ZINC001380099353 922328613 /nfs/dbraw/zinc/32/86/13/922328613.db2.gz BKWIYPHNPFRGAI-NSHDSACASA-N 1 1 324.385 -1.431 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)cn1)[C@@H]1CCNC1=O ZINC001380106632 922329249 /nfs/dbraw/zinc/32/92/49/922329249.db2.gz YGCGHIMODQNVFX-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)cn1)[C@@H]1CCNC1=O ZINC001380106632 922329266 /nfs/dbraw/zinc/32/92/66/922329266.db2.gz YGCGHIMODQNVFX-GFCCVEGCSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCNC1=O ZINC001380114868 922331252 /nfs/dbraw/zinc/33/12/52/922331252.db2.gz XZBKSMDQPXHDKE-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)n1)[C@@H]1CCNC1=O ZINC001380114868 922331266 /nfs/dbraw/zinc/33/12/66/922331266.db2.gz XZBKSMDQPXHDKE-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CC([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001380155560 922332800 /nfs/dbraw/zinc/33/28/00/922332800.db2.gz CQQSWOPJHDWUOM-IDKOKCKLSA-N 1 1 324.389 -1.221 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001380176175 922336794 /nfs/dbraw/zinc/33/67/94/922336794.db2.gz JQQPQSUJLINYOK-UHFFFAOYSA-N 1 1 310.362 -1.653 20 0 DAADMO CNC(=O)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001380169690 922337506 /nfs/dbraw/zinc/33/75/06/922337506.db2.gz MJSSYEVYIPQJAS-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001380169690 922337526 /nfs/dbraw/zinc/33/75/26/922337526.db2.gz MJSSYEVYIPQJAS-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001380228675 922341076 /nfs/dbraw/zinc/34/10/76/922341076.db2.gz QEYDSZGLPXFDMN-SNVBAGLBSA-N 1 1 321.385 -1.163 20 0 DAADMO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1)S(C)(=O)=O ZINC001380206942 922341440 /nfs/dbraw/zinc/34/14/40/922341440.db2.gz DWOZFICIRIYPFZ-ZDUSSCGKSA-N 1 1 319.427 -1.206 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001380251370 922342346 /nfs/dbraw/zinc/34/23/46/922342346.db2.gz LENWWVYXWPRRJZ-JTQLQIEISA-N 1 1 321.385 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(CC(=O)NC(N)=O)C1 ZINC001380239532 922342384 /nfs/dbraw/zinc/34/23/84/922342384.db2.gz FQOKEVWDQSWGCN-UHFFFAOYSA-N 1 1 308.342 -1.471 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC001380270758 922346844 /nfs/dbraw/zinc/34/68/44/922346844.db2.gz MOAZVXQSHUHTRM-SNVBAGLBSA-N 1 1 308.342 -1.272 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)Cn2cnnn2)C1 ZINC001380272108 922346943 /nfs/dbraw/zinc/34/69/43/922346943.db2.gz LGHJMWFKULAFHL-HTAVTVPLSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001380305231 922348259 /nfs/dbraw/zinc/34/82/59/922348259.db2.gz MCFYXCJKCDYHIQ-GHMZBOCLSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001380358201 922351638 /nfs/dbraw/zinc/35/16/38/922351638.db2.gz PBPYXKSXAXJOAS-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@]1(C)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001380358201 922351651 /nfs/dbraw/zinc/35/16/51/922351651.db2.gz PBPYXKSXAXJOAS-HZMBPMFUSA-N 1 1 311.386 -1.225 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001380341261 922352247 /nfs/dbraw/zinc/35/22/47/922352247.db2.gz YLTLHCLDKGVVCG-GXTWGEPZSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CN(C)C(=O)COC)C1 ZINC001380351145 922352580 /nfs/dbraw/zinc/35/25/80/922352580.db2.gz MNLYAIWZZMHQRS-CQSZACIVSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CN(C)C(=O)COC)C1 ZINC001380351145 922352595 /nfs/dbraw/zinc/35/25/95/922352595.db2.gz MNLYAIWZZMHQRS-CQSZACIVSA-N 1 1 314.386 -1.582 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001380357729 922352682 /nfs/dbraw/zinc/35/26/82/922352682.db2.gz NLRZZFCWXROGLZ-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001380341270 922352853 /nfs/dbraw/zinc/35/28/53/922352853.db2.gz YLTLHCLDKGVVCG-OCCSQVGLSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353061 922353930 /nfs/dbraw/zinc/35/39/30/922353930.db2.gz GMJPSPFNSOYCHX-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353061 922353946 /nfs/dbraw/zinc/35/39/46/922353946.db2.gz GMJPSPFNSOYCHX-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@]1(NC(=O)CCCS(N)(=O)=O)CC[N@H+](CC(N)=O)C1 ZINC001380357725 922354032 /nfs/dbraw/zinc/35/40/32/922354032.db2.gz NQNPEBSYSDYHHZ-NSHDSACASA-N 1 1 306.388 -1.879 20 0 DAADMO C[C@]1(NC(=O)CCCS(N)(=O)=O)CC[N@@H+](CC(N)=O)C1 ZINC001380357725 922354047 /nfs/dbraw/zinc/35/40/47/922354047.db2.gz NQNPEBSYSDYHHZ-NSHDSACASA-N 1 1 306.388 -1.879 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353048 922354514 /nfs/dbraw/zinc/35/45/14/922354514.db2.gz GMJPSPFNSOYCHX-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353048 922354529 /nfs/dbraw/zinc/35/45/29/922354529.db2.gz GMJPSPFNSOYCHX-AMIZOPFISA-N 1 1 323.357 -1.407 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001380337710 922354647 /nfs/dbraw/zinc/35/46/47/922354647.db2.gz LJLWURIJJOEUOT-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@]1(NC(=O)Cn2nc3n(c2=O)CCCC3)CC[N@@H+](CCO)C1 ZINC001380378721 922355544 /nfs/dbraw/zinc/35/55/44/922355544.db2.gz KZHVPLQGDAHKGG-HNNXBMFYSA-N 1 1 323.397 -1.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380374138 922356137 /nfs/dbraw/zinc/35/61/37/922356137.db2.gz DONYXZZRYQOOJT-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001380407596 922357096 /nfs/dbraw/zinc/35/70/96/922357096.db2.gz VOMHYOWTCTUKPA-NOZJJQNGSA-N 1 1 323.357 -1.353 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001380512425 922361961 /nfs/dbraw/zinc/36/19/61/922361961.db2.gz AOWFGONVVYSLHL-BXUZGUMPSA-N 1 1 309.370 -1.429 20 0 DAADMO CCNC(=O)C[NH2+]C1(CNC(=O)c2ncn[nH]2)CCOCC1 ZINC001380507459 922362184 /nfs/dbraw/zinc/36/21/84/922362184.db2.gz BJXFOGDAFMCGLZ-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO CCNC(=O)C[NH2+]C1(CNC(=O)c2nc[nH]n2)CCOCC1 ZINC001380507459 922362198 /nfs/dbraw/zinc/36/21/98/922362198.db2.gz BJXFOGDAFMCGLZ-UHFFFAOYSA-N 1 1 310.358 -1.191 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380518387 922363058 /nfs/dbraw/zinc/36/30/58/922363058.db2.gz QASYIQNWTJBNQE-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001380512287 922363245 /nfs/dbraw/zinc/36/32/45/922363245.db2.gz DAUPIRDQPHOTTM-SMDDNHRTSA-N 1 1 315.370 -1.068 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001380512280 922364123 /nfs/dbraw/zinc/36/41/23/922364123.db2.gz DAUPIRDQPHOTTM-BXUZGUMPSA-N 1 1 315.370 -1.068 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001380512426 922364558 /nfs/dbraw/zinc/36/45/58/922364558.db2.gz AOWFGONVVYSLHL-FZMZJTMJSA-N 1 1 309.370 -1.429 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001380517319 922364754 /nfs/dbraw/zinc/36/47/54/922364754.db2.gz GDJBKTQMCBBBAG-FZMZJTMJSA-N 1 1 315.370 -1.909 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001380517319 922364768 /nfs/dbraw/zinc/36/47/68/922364768.db2.gz GDJBKTQMCBBBAG-FZMZJTMJSA-N 1 1 315.370 -1.909 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001380514690 922364869 /nfs/dbraw/zinc/36/48/69/922364869.db2.gz IRJFJVBXDMGBPH-AWEZNQCLSA-N 1 1 317.353 -1.179 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001380519527 922366051 /nfs/dbraw/zinc/36/60/51/922366051.db2.gz JBAIFKNNRVRTBG-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001380519527 922366057 /nfs/dbraw/zinc/36/60/57/922366057.db2.gz JBAIFKNNRVRTBG-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380531468 922366945 /nfs/dbraw/zinc/36/69/45/922366945.db2.gz FUXJYVVSWWETRG-PELKAZGASA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380531468 922366957 /nfs/dbraw/zinc/36/69/57/922366957.db2.gz FUXJYVVSWWETRG-PELKAZGASA-N 1 1 301.347 -2.658 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380529374 922367985 /nfs/dbraw/zinc/36/79/85/922367985.db2.gz CNNIGLWIFAKMJP-ZANVPECISA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380529374 922367996 /nfs/dbraw/zinc/36/79/96/922367996.db2.gz CNNIGLWIFAKMJP-ZANVPECISA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001380521225 922369078 /nfs/dbraw/zinc/36/90/78/922369078.db2.gz ODOOAMBZROBYMJ-KSBSHMNSSA-N 1 1 308.285 -1.612 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(F)F)C1 ZINC001380521225 922369097 /nfs/dbraw/zinc/36/90/97/922369097.db2.gz ODOOAMBZROBYMJ-KSBSHMNSSA-N 1 1 308.285 -1.612 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)COC(C)C)C1 ZINC001380520313 922369279 /nfs/dbraw/zinc/36/92/79/922369279.db2.gz XBPFOCOIKZVTIB-OCCSQVGLSA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001380521222 922369501 /nfs/dbraw/zinc/36/95/01/922369501.db2.gz ODOOAMBZROBYMJ-KGFZYKRKSA-N 1 1 308.285 -1.612 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001380521222 922369521 /nfs/dbraw/zinc/36/95/21/922369521.db2.gz ODOOAMBZROBYMJ-KGFZYKRKSA-N 1 1 308.285 -1.612 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001380523792 922370107 /nfs/dbraw/zinc/37/01/07/922370107.db2.gz ZXFZIFWWJUBBST-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001380523792 922370124 /nfs/dbraw/zinc/37/01/24/922370124.db2.gz ZXFZIFWWJUBBST-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc3ccnn32)C1 ZINC001380540419 922371180 /nfs/dbraw/zinc/37/11/80/922371180.db2.gz VSPCGKVZRFDIFS-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc3ccnn32)C1 ZINC001380540419 922371188 /nfs/dbraw/zinc/37/11/88/922371188.db2.gz VSPCGKVZRFDIFS-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380537579 922371334 /nfs/dbraw/zinc/37/13/34/922371334.db2.gz KBEAXNVTMPARNW-AWEZNQCLSA-N 1 1 323.353 -1.515 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380537579 922371350 /nfs/dbraw/zinc/37/13/50/922371350.db2.gz KBEAXNVTMPARNW-AWEZNQCLSA-N 1 1 323.353 -1.515 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001380538041 922371953 /nfs/dbraw/zinc/37/19/53/922371953.db2.gz XZMNOKHYWSVJFY-AWEZNQCLSA-N 1 1 319.369 -1.122 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380534134 922372364 /nfs/dbraw/zinc/37/23/64/922372364.db2.gz BCZRALCGBAUAOL-ZYHUDNBSSA-N 1 1 323.415 -2.141 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001380533692 922372427 /nfs/dbraw/zinc/37/24/27/922372427.db2.gz OSNQTIZLODRJLC-YGRLFVJLSA-N 1 1 322.369 -1.821 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nnn1C ZINC001380533692 922372440 /nfs/dbraw/zinc/37/24/40/922372440.db2.gz OSNQTIZLODRJLC-YGRLFVJLSA-N 1 1 322.369 -1.821 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1)N1CCC1 ZINC001380535239 922372519 /nfs/dbraw/zinc/37/25/19/922372519.db2.gz DDQJCMJXKPRHDC-MAZHCROVSA-N 1 1 323.393 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1)N1CCC1 ZINC001380535239 922372531 /nfs/dbraw/zinc/37/25/31/922372531.db2.gz DDQJCMJXKPRHDC-MAZHCROVSA-N 1 1 323.393 -1.192 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1)N1CCC1 ZINC001380535242 922372712 /nfs/dbraw/zinc/37/27/12/922372712.db2.gz DDQJCMJXKPRHDC-RCBQFDQVSA-N 1 1 323.393 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@]23C[C@H]2COC3)C1)N1CCC1 ZINC001380535242 922372728 /nfs/dbraw/zinc/37/27/28/922372728.db2.gz DDQJCMJXKPRHDC-RCBQFDQVSA-N 1 1 323.393 -1.192 20 0 DAADMO CCCn1nccc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380535307 922372803 /nfs/dbraw/zinc/37/28/03/922372803.db2.gz DQWKRYOKTVWFJG-CQSZACIVSA-N 1 1 309.370 -1.055 20 0 DAADMO CCCn1nccc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380535307 922372815 /nfs/dbraw/zinc/37/28/15/922372815.db2.gz DQWKRYOKTVWFJG-CQSZACIVSA-N 1 1 309.370 -1.055 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001380537549 922373119 /nfs/dbraw/zinc/37/31/19/922373119.db2.gz SWQKHZWPPWSNAV-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001380537549 922373135 /nfs/dbraw/zinc/37/31/35/922373135.db2.gz SWQKHZWPPWSNAV-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cccn2nnnc12 ZINC001380539187 922373632 /nfs/dbraw/zinc/37/36/32/922373632.db2.gz KVUKORJCBJMDEB-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380537603 922374623 /nfs/dbraw/zinc/37/46/23/922374623.db2.gz KBEAXNVTMPARNW-CQSZACIVSA-N 1 1 323.353 -1.515 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380537603 922374641 /nfs/dbraw/zinc/37/46/41/922374641.db2.gz KBEAXNVTMPARNW-CQSZACIVSA-N 1 1 323.353 -1.515 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001380542183 922375867 /nfs/dbraw/zinc/37/58/67/922375867.db2.gz DQTVAYIKDZCWKH-ZDUSSCGKSA-N 1 1 310.358 -1.964 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001380542183 922375877 /nfs/dbraw/zinc/37/58/77/922375877.db2.gz DQTVAYIKDZCWKH-ZDUSSCGKSA-N 1 1 310.358 -1.964 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001380543715 922376181 /nfs/dbraw/zinc/37/61/81/922376181.db2.gz UMQOIZJEMMTYGS-AWEZNQCLSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)C(=O)C1CC1 ZINC001380543715 922376190 /nfs/dbraw/zinc/37/61/90/922376190.db2.gz UMQOIZJEMMTYGS-AWEZNQCLSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380540739 922377180 /nfs/dbraw/zinc/37/71/80/922377180.db2.gz AYPYFPQAUCFANG-HNNXBMFYSA-N 1 1 322.365 -1.088 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542562 922377388 /nfs/dbraw/zinc/37/73/88/922377388.db2.gz FPXAWNIDBSDZGB-SMDDNHRTSA-N 1 1 314.386 -2.255 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542562 922377393 /nfs/dbraw/zinc/37/73/93/922377393.db2.gz FPXAWNIDBSDZGB-SMDDNHRTSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CC(=O)NC)C1 ZINC001380541255 922377926 /nfs/dbraw/zinc/37/79/26/922377926.db2.gz ATRJUYZOEYLUMF-CQSZACIVSA-N 1 1 300.403 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380541918 922378020 /nfs/dbraw/zinc/37/80/20/922378020.db2.gz PZWNIATWDDIQDQ-ZDUSSCGKSA-N 1 1 300.359 -2.643 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380541918 922378032 /nfs/dbraw/zinc/37/80/32/922378032.db2.gz PZWNIATWDDIQDQ-ZDUSSCGKSA-N 1 1 300.359 -2.643 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CCC3CC3)C2)c1=O ZINC001380544166 922378554 /nfs/dbraw/zinc/37/85/54/922378554.db2.gz IIXOVYVSAXDZNQ-OAHLLOKOSA-N 1 1 323.397 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001380542575 922378585 /nfs/dbraw/zinc/37/85/85/922378585.db2.gz SBMDRPIHYBCIDQ-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001380542575 922378595 /nfs/dbraw/zinc/37/85/95/922378595.db2.gz SBMDRPIHYBCIDQ-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542340 922379169 /nfs/dbraw/zinc/37/91/69/922379169.db2.gz QLLPZYNLQGHFKY-CYBMUJFWSA-N 1 1 316.358 -2.871 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542340 922379184 /nfs/dbraw/zinc/37/91/84/922379184.db2.gz QLLPZYNLQGHFKY-CYBMUJFWSA-N 1 1 316.358 -2.871 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380542548 922379612 /nfs/dbraw/zinc/37/96/12/922379612.db2.gz FPXAWNIDBSDZGB-BXUZGUMPSA-N 1 1 314.386 -2.255 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380542548 922379625 /nfs/dbraw/zinc/37/96/25/922379625.db2.gz FPXAWNIDBSDZGB-BXUZGUMPSA-N 1 1 314.386 -2.255 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001380552162 922381191 /nfs/dbraw/zinc/38/11/91/922381191.db2.gz LYBNMUDTVFPKTA-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2ncccn2)C1 ZINC001380552162 922381203 /nfs/dbraw/zinc/38/12/03/922381203.db2.gz LYBNMUDTVFPKTA-HNNXBMFYSA-N 1 1 321.381 -1.292 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380550736 922381282 /nfs/dbraw/zinc/38/12/82/922381282.db2.gz IGVPLVDEMHSJFA-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001380550736 922381298 /nfs/dbraw/zinc/38/12/98/922381298.db2.gz IGVPLVDEMHSJFA-BXUZGUMPSA-N 1 1 323.353 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553084 922381774 /nfs/dbraw/zinc/38/17/74/922381774.db2.gz LUUIPQIYEQNYHQ-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001380553084 922381786 /nfs/dbraw/zinc/38/17/86/922381786.db2.gz LUUIPQIYEQNYHQ-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548302 922382539 /nfs/dbraw/zinc/38/25/39/922382539.db2.gz FPJKDSOQVNDASP-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ncccn2)C1 ZINC001380548302 922382554 /nfs/dbraw/zinc/38/25/54/922382554.db2.gz FPJKDSOQVNDASP-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001380550144 922384047 /nfs/dbraw/zinc/38/40/47/922384047.db2.gz DJLRPEPCXZWJTL-ZDUSSCGKSA-N 1 1 323.357 -2.391 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001380550144 922384058 /nfs/dbraw/zinc/38/40/58/922384058.db2.gz DJLRPEPCXZWJTL-ZDUSSCGKSA-N 1 1 323.357 -2.391 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001380550141 922384161 /nfs/dbraw/zinc/38/41/61/922384161.db2.gz DJLRPEPCXZWJTL-CYBMUJFWSA-N 1 1 323.357 -2.391 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001380550141 922384176 /nfs/dbraw/zinc/38/41/76/922384176.db2.gz DJLRPEPCXZWJTL-CYBMUJFWSA-N 1 1 323.357 -2.391 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001380552077 922384237 /nfs/dbraw/zinc/38/42/37/922384237.db2.gz RDLIPHWHRQYRAV-JLNYLFASSA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001380552077 922384253 /nfs/dbraw/zinc/38/42/53/922384253.db2.gz RDLIPHWHRQYRAV-JLNYLFASSA-N 1 1 321.381 -1.240 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001380555791 922386046 /nfs/dbraw/zinc/38/60/46/922386046.db2.gz OIZVKRDSQNWSTR-PWSUYJOCSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554558 922386338 /nfs/dbraw/zinc/38/63/38/922386338.db2.gz NUFLYNIXJFQWFA-NOZJJQNGSA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554558 922386351 /nfs/dbraw/zinc/38/63/51/922386351.db2.gz NUFLYNIXJFQWFA-NOZJJQNGSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)o1 ZINC001380554584 922387639 /nfs/dbraw/zinc/38/76/39/922387639.db2.gz OAQFMHYRKRPNLY-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3nnn(C)n3)C2)o1 ZINC001380554584 922387654 /nfs/dbraw/zinc/38/76/54/922387654.db2.gz OAQFMHYRKRPNLY-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001380556685 922387923 /nfs/dbraw/zinc/38/79/23/922387923.db2.gz SUBZJAJLYDPLEB-CYBMUJFWSA-N 1 1 323.340 -1.091 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COCC(F)F)C1 ZINC001380556685 922387937 /nfs/dbraw/zinc/38/79/37/922387937.db2.gz SUBZJAJLYDPLEB-CYBMUJFWSA-N 1 1 323.340 -1.091 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001380554561 922388462 /nfs/dbraw/zinc/38/84/62/922388462.db2.gz CIQPAFUPRYAIJX-XUJVJEKNSA-N 1 1 321.381 -1.443 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001380556526 922389917 /nfs/dbraw/zinc/38/99/17/922389917.db2.gz PBTCFVOHELWKKA-QPUJVOFHSA-N 1 1 300.315 -2.870 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557590 922390105 /nfs/dbraw/zinc/39/01/05/922390105.db2.gz VVVXPLAQLHVOKF-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001380557590 922390125 /nfs/dbraw/zinc/39/01/25/922390125.db2.gz VVVXPLAQLHVOKF-SMDDNHRTSA-N 1 1 309.370 -1.300 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001380556175 922390211 /nfs/dbraw/zinc/39/02/11/922390211.db2.gz VVVFRKSJWFVXED-QMTHXVAHSA-N 1 1 301.387 -1.165 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001380567725 922391226 /nfs/dbraw/zinc/39/12/26/922391226.db2.gz NZPYSWBKQKWPLW-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001380567725 922391241 /nfs/dbraw/zinc/39/12/41/922391241.db2.gz NZPYSWBKQKWPLW-LBPRGKRZSA-N 1 1 308.400 -1.380 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001380563457 922391527 /nfs/dbraw/zinc/39/15/27/922391527.db2.gz GMHYWGJDQAEBAZ-XHDPSFHLSA-N 1 1 324.381 -1.903 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001380563457 922391541 /nfs/dbraw/zinc/39/15/41/922391541.db2.gz GMHYWGJDQAEBAZ-XHDPSFHLSA-N 1 1 324.381 -1.903 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001380559507 922392259 /nfs/dbraw/zinc/39/22/59/922392259.db2.gz YRUJGSMYFFLQRE-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001380559505 922392409 /nfs/dbraw/zinc/39/24/09/922392409.db2.gz YRUJGSMYFFLQRE-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565500 922393072 /nfs/dbraw/zinc/39/30/72/922393072.db2.gz IHEYUSCHCQHWAW-RNCFNFMXSA-N 1 1 311.342 -1.191 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nonc2C)C1 ZINC001380565500 922393085 /nfs/dbraw/zinc/39/30/85/922393085.db2.gz IHEYUSCHCQHWAW-RNCFNFMXSA-N 1 1 311.342 -1.191 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001380568360 922393226 /nfs/dbraw/zinc/39/32/26/922393226.db2.gz CAKKUGHXCDNPSX-NOZJJQNGSA-N 1 1 313.358 -2.514 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001380568360 922393237 /nfs/dbraw/zinc/39/32/37/922393237.db2.gz CAKKUGHXCDNPSX-NOZJJQNGSA-N 1 1 313.358 -2.514 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001380558776 922393930 /nfs/dbraw/zinc/39/39/30/922393930.db2.gz ODOZOAKSCKFNSI-NHYWBVRUSA-N 1 1 309.366 -1.067 20 0 DAADMO COC(=O)NCC(=O)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001380569695 922394126 /nfs/dbraw/zinc/39/41/26/922394126.db2.gz JZEXUJAREWQWTH-NSHDSACASA-N 1 1 315.370 -1.068 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380565033 922394847 /nfs/dbraw/zinc/39/48/47/922394847.db2.gz GHSCERYHZPNUML-AWEZNQCLSA-N 1 1 319.369 -1.272 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001380578867 922398738 /nfs/dbraw/zinc/39/87/38/922398738.db2.gz YNPHLNQXNYDRIS-RISCZKNCSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380575469 922398921 /nfs/dbraw/zinc/39/89/21/922398921.db2.gz VHRFLOHWMFEPOD-SMDDNHRTSA-N 1 1 324.385 -1.692 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001380576629 922399938 /nfs/dbraw/zinc/39/99/38/922399938.db2.gz XMWWPKLDOHGAAT-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380581781 922402976 /nfs/dbraw/zinc/40/29/76/922402976.db2.gz POVDGEWBUJYLHV-YPMHNXCESA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380581779 922403737 /nfs/dbraw/zinc/40/37/37/922403737.db2.gz POVDGEWBUJYLHV-WCQYABFASA-N 1 1 324.425 -1.089 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001380598230 922412415 /nfs/dbraw/zinc/41/24/15/922412415.db2.gz JSRUKMSESNXZSA-UHFFFAOYSA-N 1 1 300.359 -2.190 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001380602381 922415216 /nfs/dbraw/zinc/41/52/16/922415216.db2.gz WTSOOPZKDKYMLG-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CC(=O)N(C)C)C1 ZINC001380605845 922417497 /nfs/dbraw/zinc/41/74/97/922417497.db2.gz NNTWHUGNOVRCKO-UHFFFAOYSA-N 1 1 309.370 -1.557 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(Cc3ncnn3C)C2)C1 ZINC001380612180 922418193 /nfs/dbraw/zinc/41/81/93/922418193.db2.gz GPVFFXGAOYJAMD-LBPRGKRZSA-N 1 1 322.413 -1.180 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001380611085 922418360 /nfs/dbraw/zinc/41/83/60/922418360.db2.gz BRIGCYMFIQOTBD-UTUOFQBUSA-N 1 1 311.382 -1.303 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001380615552 922420174 /nfs/dbraw/zinc/42/01/74/922420174.db2.gz QCSZROWBFFJVCB-RYUDHWBXSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCC(=O)N1 ZINC001380636610 922427779 /nfs/dbraw/zinc/42/77/79/922427779.db2.gz YMEORANCSYETFQ-RYUDHWBXSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001380637127 922428497 /nfs/dbraw/zinc/42/84/97/922428497.db2.gz ZEWBYFUYDXTMEG-LLVKDONJSA-N 1 1 309.370 -1.063 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001380632007 922428688 /nfs/dbraw/zinc/42/86/88/922428688.db2.gz QBHZRSGAWQUKTB-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001380643058 922430434 /nfs/dbraw/zinc/43/04/34/922430434.db2.gz PWUDXGJOIPSWKH-LLVKDONJSA-N 1 1 308.386 -1.570 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2nnn(C)n2)C1 ZINC001380643904 922431774 /nfs/dbraw/zinc/43/17/74/922431774.db2.gz OVJSTYHSCACYQX-UHFFFAOYSA-N 1 1 311.390 -1.787 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380642174 922432449 /nfs/dbraw/zinc/43/24/49/922432449.db2.gz LWZLQHGMMQOQEM-LBPRGKRZSA-N 1 1 312.370 -1.638 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001380659553 922433975 /nfs/dbraw/zinc/43/39/75/922433975.db2.gz MQNWDHANFYKNAY-SRVKXCTJSA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001380708074 922440071 /nfs/dbraw/zinc/44/00/71/922440071.db2.gz OLELMUJUTPZVQS-AXFHLTTASA-N 1 1 310.358 -1.779 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001380709412 922440818 /nfs/dbraw/zinc/44/08/18/922440818.db2.gz TVMDUHXSRUUSKB-NNYUYHANSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1ccc2nnnn2c1 ZINC001380737379 922443738 /nfs/dbraw/zinc/44/37/38/922443738.db2.gz APMCYFQDRMUARH-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001380737565 922443987 /nfs/dbraw/zinc/44/39/87/922443987.db2.gz QCXPWIUHLXFZAI-LBPRGKRZSA-N 1 1 323.415 -2.139 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2COCCO2)C1 ZINC001380727895 922445646 /nfs/dbraw/zinc/44/56/46/922445646.db2.gz BXKPQFRGSSSONA-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001380738622 922448197 /nfs/dbraw/zinc/44/81/97/922448197.db2.gz ZWWWRUMYHUPJBH-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001380745215 922448230 /nfs/dbraw/zinc/44/82/30/922448230.db2.gz KZROWQSOPRIXLA-AAEUAGOBSA-N 1 1 312.374 -1.613 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CNC(N)=O ZINC001380741300 922448253 /nfs/dbraw/zinc/44/82/53/922448253.db2.gz DOLUUWMBKZLVFZ-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001380741773 922448291 /nfs/dbraw/zinc/44/82/91/922448291.db2.gz NSPNCNFYAXLXTE-MFKMUULPSA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001380745219 922448748 /nfs/dbraw/zinc/44/87/48/922448748.db2.gz KZROWQSOPRIXLA-WCQYABFASA-N 1 1 312.374 -1.613 20 0 DAADMO Cc1nc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)c(=O)[nH]c1C ZINC001380745140 922449370 /nfs/dbraw/zinc/44/93/70/922449370.db2.gz JEZCFRHYDBWYMM-OAHLLOKOSA-N 1 1 324.381 -1.064 20 0 DAADMO CN1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001380767872 922454027 /nfs/dbraw/zinc/45/40/27/922454027.db2.gz RCRXRHRVSNMZGF-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1nnc[nH]1)c1nnnn1C ZINC001380768384 922454261 /nfs/dbraw/zinc/45/42/61/922454261.db2.gz APOFVVHDDGXLEF-VIFPVBQESA-N 1 1 323.361 -1.958 20 0 DAADMO CN(CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO)S(C)(=O)=O ZINC001380771943 922454414 /nfs/dbraw/zinc/45/44/14/922454414.db2.gz UCKHNZFRNHBOAI-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001380768066 922454708 /nfs/dbraw/zinc/45/47/08/922454708.db2.gz XGNMFRVWJKCPCA-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)c3nnn(C)n3)CCC2)nn1 ZINC001380878124 922467954 /nfs/dbraw/zinc/46/79/54/922467954.db2.gz QOULHRVRBBKUMQ-UHFFFAOYSA-N 1 1 305.346 -1.219 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001380895960 922470543 /nfs/dbraw/zinc/47/05/43/922470543.db2.gz HGGBSWRFZFHXFO-GFCCVEGCSA-N 1 1 310.358 -1.732 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CNC(C)=O)CCO2)nn1 ZINC001380894457 922470797 /nfs/dbraw/zinc/47/07/97/922470797.db2.gz BBAZXDTWVYICLL-CYBMUJFWSA-N 1 1 324.385 -1.249 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001380901382 922472112 /nfs/dbraw/zinc/47/21/12/922472112.db2.gz FVQVOGGHEPNSSN-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001380908546 922473426 /nfs/dbraw/zinc/47/34/26/922473426.db2.gz AFWCZNROGPRVCP-GXSJLCMTSA-N 1 1 311.342 -1.102 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001380922002 922476701 /nfs/dbraw/zinc/47/67/01/922476701.db2.gz XCCIUAHXWRHZIH-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)CC2)n1 ZINC001380938754 922476863 /nfs/dbraw/zinc/47/68/63/922476863.db2.gz LPXQTOWMBSFPHA-VIFPVBQESA-N 1 1 323.357 -1.406 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCO1 ZINC001380922000 922477670 /nfs/dbraw/zinc/47/76/70/922477670.db2.gz XCCIUAHXWRHZIH-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001380934038 922478724 /nfs/dbraw/zinc/47/87/24/922478724.db2.gz QSSZFRUGUXMVQX-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001380942523 922481392 /nfs/dbraw/zinc/48/13/92/922481392.db2.gz HEOZIAIMTKZJNX-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N(C)CCC[N@@H+](C)CC(=O)NC(N)=O ZINC001380969860 922483354 /nfs/dbraw/zinc/48/33/54/922483354.db2.gz JEDPDENHKJZPEW-SECBINFHSA-N 1 1 315.374 -1.527 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001380965055 922484009 /nfs/dbraw/zinc/48/40/09/922484009.db2.gz RUIFGAAXLKPRKD-JTQLQIEISA-N 1 1 321.399 -2.328 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001380969797 922484140 /nfs/dbraw/zinc/48/41/40/922484140.db2.gz IXFSYNNDCSJACT-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001381038291 922495060 /nfs/dbraw/zinc/49/50/60/922495060.db2.gz AABGENJFEYOZSY-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)(NCC(N)=O)C1 ZINC001381038291 922495074 /nfs/dbraw/zinc/49/50/74/922495074.db2.gz AABGENJFEYOZSY-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CC[C@@H]([NH2+]CC1(NC(=O)Cc2nnc[nH]2)CCOCC1)C(N)=O ZINC001381064287 922497866 /nfs/dbraw/zinc/49/78/66/922497866.db2.gz BJQJZNVYWPFSHG-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO CN1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001381076118 922498899 /nfs/dbraw/zinc/49/88/99/922498899.db2.gz CBLRQBJNLKCIIE-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO CN1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001381076118 922498907 /nfs/dbraw/zinc/49/89/07/922498907.db2.gz CBLRQBJNLKCIIE-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)c2ccn[nH]2)CC1 ZINC001381138648 922501024 /nfs/dbraw/zinc/50/10/24/922501024.db2.gz HVFBHPSCNYQFES-LLVKDONJSA-N 1 1 312.370 -1.026 20 0 DAADMO Cn1cnnc1C[NH2+]CC1(O)CCN(C(=O)c2nc[nH]n2)CC1 ZINC001381153778 922503640 /nfs/dbraw/zinc/50/36/40/922503640.db2.gz BFGDYURPKVJDKR-UHFFFAOYSA-N 1 1 320.357 -1.310 20 0 DAADMO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001381157778 922504699 /nfs/dbraw/zinc/50/46/99/922504699.db2.gz ZBJHVWOVQIAMPR-UHFFFAOYSA-N 1 1 310.358 -1.584 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001381174862 922506652 /nfs/dbraw/zinc/50/66/52/922506652.db2.gz WLOVLFLSSSKLRM-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001381174862 922506667 /nfs/dbraw/zinc/50/66/67/922506667.db2.gz WLOVLFLSSSKLRM-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001381183813 922507270 /nfs/dbraw/zinc/50/72/70/922507270.db2.gz HRWVTLMOHPLUHG-SECBINFHSA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001381241283 922513471 /nfs/dbraw/zinc/51/34/71/922513471.db2.gz IEBBKMCFSVHHTA-VIFPVBQESA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001381268128 922514312 /nfs/dbraw/zinc/51/43/12/922514312.db2.gz OBEINDRUFAZSOM-LLVKDONJSA-N 1 1 324.385 -1.515 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001381313658 922518862 /nfs/dbraw/zinc/51/88/62/922518862.db2.gz DFTSUTKYVXKVGQ-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)nn1 ZINC001381388164 922523902 /nfs/dbraw/zinc/52/39/02/922523902.db2.gz YFQJVGIIOIGVHD-NXEZZACHSA-N 1 1 307.362 -1.033 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)nn1 ZINC001381388166 922523923 /nfs/dbraw/zinc/52/39/23/922523923.db2.gz YFQJVGIIOIGVHD-UWVGGRQHSA-N 1 1 307.362 -1.033 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001381403753 922525888 /nfs/dbraw/zinc/52/58/88/922525888.db2.gz UNNHTHRAFZXALC-ZJUUUORDSA-N 1 1 323.401 -1.472 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001381447870 922527478 /nfs/dbraw/zinc/52/74/78/922527478.db2.gz VCZZTKVVOCXCKP-DTWKUNHWSA-N 1 1 324.341 -1.006 20 0 DAADMO C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001381447877 922528085 /nfs/dbraw/zinc/52/80/85/922528085.db2.gz VCZZTKVVOCXCKP-IUCAKERBSA-N 1 1 324.341 -1.006 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@H+](C)CCNS(C)(=O)=O ZINC001381518842 922529408 /nfs/dbraw/zinc/52/94/08/922529408.db2.gz RRDLEMWYNLQXAE-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCNS(C)(=O)=O ZINC001381518842 922529415 /nfs/dbraw/zinc/52/94/15/922529415.db2.gz RRDLEMWYNLQXAE-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](CNC(=O)Cc1cc[nH]n1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001381511170 922529739 /nfs/dbraw/zinc/52/97/39/922529739.db2.gz WXMLNZTWUHZVHT-RKDXNWHRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)[N@@H+](C)CCN1CCNC1=O ZINC001381511256 922530568 /nfs/dbraw/zinc/53/05/68/922530568.db2.gz CRSMYJXSGBPZDS-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@H](CNC(=O)CC1OCCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001381522173 922531909 /nfs/dbraw/zinc/53/19/09/922531909.db2.gz XPAGTBSCBWGIKZ-SECBINFHSA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@H](CNC(=O)CC1OCCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001381522173 922531924 /nfs/dbraw/zinc/53/19/24/922531924.db2.gz XPAGTBSCBWGIKZ-SECBINFHSA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)CCN1CCNC1=O ZINC001381511260 922532046 /nfs/dbraw/zinc/53/20/46/922532046.db2.gz CRSMYJXSGBPZDS-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001381495557 922532185 /nfs/dbraw/zinc/53/21/85/922532185.db2.gz QGXAWNUJPBASJI-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001381495557 922532194 /nfs/dbraw/zinc/53/21/94/922532194.db2.gz QGXAWNUJPBASJI-UWVGGRQHSA-N 1 1 309.374 -1.223 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001381566262 922533955 /nfs/dbraw/zinc/53/39/55/922533955.db2.gz RCQOYZKRHXGTHT-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001381566262 922533963 /nfs/dbraw/zinc/53/39/63/922533963.db2.gz RCQOYZKRHXGTHT-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001381560821 922534427 /nfs/dbraw/zinc/53/44/27/922534427.db2.gz YEZOZCCKVDBSDQ-JGVFFNPUSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001381560821 922534443 /nfs/dbraw/zinc/53/44/43/922534443.db2.gz YEZOZCCKVDBSDQ-JGVFFNPUSA-N 1 1 309.392 -2.650 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001381533653 922534687 /nfs/dbraw/zinc/53/46/87/922534687.db2.gz IZQSLEYBJVOHBI-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(=O)NC ZINC001381533292 922535851 /nfs/dbraw/zinc/53/58/51/922535851.db2.gz NJGLSCFWVAEEML-MRVPVSSYSA-N 1 1 316.362 -2.193 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(=O)NC ZINC001381533292 922535860 /nfs/dbraw/zinc/53/58/60/922535860.db2.gz NJGLSCFWVAEEML-MRVPVSSYSA-N 1 1 316.362 -2.193 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001381533661 922536109 /nfs/dbraw/zinc/53/61/09/922536109.db2.gz IZQSLEYBJVOHBI-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@H+](C)CC(N)=O ZINC001381535703 922536284 /nfs/dbraw/zinc/53/62/84/922536284.db2.gz TUYMSWAZQKAUHJ-VIFPVBQESA-N 1 1 311.342 -2.531 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@@H+](C)CC(N)=O ZINC001381535703 922536300 /nfs/dbraw/zinc/53/63/00/922536300.db2.gz TUYMSWAZQKAUHJ-VIFPVBQESA-N 1 1 311.342 -2.531 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001381533658 922536446 /nfs/dbraw/zinc/53/64/46/922536446.db2.gz IZQSLEYBJVOHBI-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001381580778 922536700 /nfs/dbraw/zinc/53/67/00/922536700.db2.gz ZURVGWXVCOUJPO-MRVPVSSYSA-N 1 1 319.387 -1.246 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001381560824 922536715 /nfs/dbraw/zinc/53/67/15/922536715.db2.gz YEZOZCCKVDBSDQ-YUMQZZPRSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381560824 922536725 /nfs/dbraw/zinc/53/67/25/922536725.db2.gz YEZOZCCKVDBSDQ-YUMQZZPRSA-N 1 1 309.392 -2.650 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001381592173 922538221 /nfs/dbraw/zinc/53/82/21/922538221.db2.gz LWWNXGLDXLEMJP-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001381601460 922539049 /nfs/dbraw/zinc/53/90/49/922539049.db2.gz LZEWVTGVOUVOBQ-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001381601460 922539056 /nfs/dbraw/zinc/53/90/56/922539056.db2.gz LZEWVTGVOUVOBQ-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001381587257 922539673 /nfs/dbraw/zinc/53/96/73/922539673.db2.gz ASRZFWYJUNMOJZ-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001381587257 922539685 /nfs/dbraw/zinc/53/96/85/922539685.db2.gz ASRZFWYJUNMOJZ-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001381584671 922539797 /nfs/dbraw/zinc/53/97/97/922539797.db2.gz CVRIGZBYEHMCOJ-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001381609289 922540092 /nfs/dbraw/zinc/54/00/92/922540092.db2.gz YFXMDVZYHBMEEG-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001381609289 922540101 /nfs/dbraw/zinc/54/01/01/922540101.db2.gz YFXMDVZYHBMEEG-SECBINFHSA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@H+](C)[C@H](C)C(N)=O ZINC001381623398 922540766 /nfs/dbraw/zinc/54/07/66/922540766.db2.gz YNLJJVRGKIBWIN-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@@H+](C)[C@H](C)C(N)=O ZINC001381623398 922540777 /nfs/dbraw/zinc/54/07/77/922540777.db2.gz YNLJJVRGKIBWIN-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001381772020 922551867 /nfs/dbraw/zinc/55/18/67/922551867.db2.gz CPNHOLODFWODBZ-SNVBAGLBSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(CCn3cncn3)C2)C1 ZINC001381692877 922552069 /nfs/dbraw/zinc/55/20/69/922552069.db2.gz VAGQGPGVQPFVMU-ZDUSSCGKSA-N 1 1 322.413 -1.217 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001381832909 922557428 /nfs/dbraw/zinc/55/74/28/922557428.db2.gz YELBZNRZCIEHKD-DTWKUNHWSA-N 1 1 320.415 -1.893 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001381858042 922560190 /nfs/dbraw/zinc/56/01/90/922560190.db2.gz USZHAZGPZHGVFA-WDEREUQCSA-N 1 1 312.374 -1.493 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC001381866336 922560614 /nfs/dbraw/zinc/56/06/14/922560614.db2.gz IHYTXYRRCNNSMT-VIFPVBQESA-N 1 1 310.395 -1.164 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC001381866336 922560629 /nfs/dbraw/zinc/56/06/29/922560629.db2.gz IHYTXYRRCNNSMT-VIFPVBQESA-N 1 1 310.395 -1.164 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnccn3)[C@@H]2C1 ZINC001381872803 922560719 /nfs/dbraw/zinc/56/07/19/922560719.db2.gz RGYJFROSEGOFDH-OWUUHHOZSA-N 1 1 318.337 -1.421 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC001381852373 922561363 /nfs/dbraw/zinc/56/13/63/922561363.db2.gz YAIAOSJKFLXLDK-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC001381852373 922561372 /nfs/dbraw/zinc/56/13/72/922561372.db2.gz YAIAOSJKFLXLDK-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC001381866333 922561672 /nfs/dbraw/zinc/56/16/72/922561672.db2.gz IHYTXYRRCNNSMT-SECBINFHSA-N 1 1 310.395 -1.164 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC001381866333 922561683 /nfs/dbraw/zinc/56/16/83/922561683.db2.gz IHYTXYRRCNNSMT-SECBINFHSA-N 1 1 310.395 -1.164 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001381877132 922561847 /nfs/dbraw/zinc/56/18/47/922561847.db2.gz VXASBOAFEXZAFP-KKOKHZNYSA-N 1 1 310.358 -2.026 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001381866512 922561993 /nfs/dbraw/zinc/56/19/93/922561993.db2.gz BIWDTDQGRGGLGF-NXEZZACHSA-N 1 1 307.416 -1.257 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001381903255 922564360 /nfs/dbraw/zinc/56/43/60/922564360.db2.gz FOQDZOMMYGOSOE-XWLWVQCSSA-N 1 1 305.400 -1.790 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001381902675 922564658 /nfs/dbraw/zinc/56/46/58/922564658.db2.gz DKMCYFLEROKOGZ-RTCCRHLQSA-N 1 1 320.353 -1.559 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cnn(C)n2)C1 ZINC001381928828 922565649 /nfs/dbraw/zinc/56/56/49/922565649.db2.gz TWMVLLYYXBQBNP-MFKMUULPSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001381921794 922565832 /nfs/dbraw/zinc/56/58/32/922565832.db2.gz CZMLZORSRXWECC-GXSJLCMTSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001381921794 922565848 /nfs/dbraw/zinc/56/58/48/922565848.db2.gz CZMLZORSRXWECC-GXSJLCMTSA-N 1 1 310.358 -1.572 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001381921986 922567256 /nfs/dbraw/zinc/56/72/56/922567256.db2.gz NAUKTJDNIKWTTJ-JOYOIKCWSA-N 1 1 324.385 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001381906622 922567301 /nfs/dbraw/zinc/56/73/01/922567301.db2.gz UXPXFKGYECFKDI-PDEGPIFNSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001381906622 922567312 /nfs/dbraw/zinc/56/73/12/922567312.db2.gz UXPXFKGYECFKDI-PDEGPIFNSA-N 1 1 306.370 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001381906622 922567321 /nfs/dbraw/zinc/56/73/21/922567321.db2.gz UXPXFKGYECFKDI-PDEGPIFNSA-N 1 1 306.370 -1.095 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001381936642 922570965 /nfs/dbraw/zinc/57/09/65/922570965.db2.gz OXRCEFGBORRBSY-KVSVUVNWSA-N 1 1 311.382 -1.434 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001381971072 922572811 /nfs/dbraw/zinc/57/28/11/922572811.db2.gz NGTHDICNWUPDKS-LBPRGKRZSA-N 1 1 322.427 -1.039 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H](C[NH2+]Cc1cnn(C)n1)C1CC1 ZINC001382010991 922574795 /nfs/dbraw/zinc/57/47/95/922574795.db2.gz UBIKRUAEYVGUBG-GFCCVEGCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001381990346 922576709 /nfs/dbraw/zinc/57/67/09/922576709.db2.gz VDMNLNUSHQZSQK-UHFFFAOYSA-N 1 1 323.357 -1.604 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1nnnn1C ZINC001382046804 922577923 /nfs/dbraw/zinc/57/79/23/922577923.db2.gz HQBVDYLGTWZXBA-JTQLQIEISA-N 1 1 309.374 -1.231 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1nnnn1C ZINC001382053354 922579310 /nfs/dbraw/zinc/57/93/10/922579310.db2.gz DPLYABLBBVQSAX-NXEZZACHSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066612 922579854 /nfs/dbraw/zinc/57/98/54/922579854.db2.gz XHPYNQVDDODNFH-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001382066612 922579862 /nfs/dbraw/zinc/57/98/62/922579862.db2.gz XHPYNQVDDODNFH-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001382093197 922583224 /nfs/dbraw/zinc/58/32/24/922583224.db2.gz QQISUXYOJNLVAI-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](CN(C)C(=O)CCc1cnc[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001382087024 922583923 /nfs/dbraw/zinc/58/39/23/922583923.db2.gz TXPGEVVBTTVUOH-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001382113739 922586054 /nfs/dbraw/zinc/58/60/54/922586054.db2.gz BNODSTACPWBOFZ-DTWKUNHWSA-N 1 1 310.362 -1.830 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001382137450 922588390 /nfs/dbraw/zinc/58/83/90/922588390.db2.gz XRICAPVHBMRCAA-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001382164253 922590417 /nfs/dbraw/zinc/59/04/17/922590417.db2.gz FCKQVFZRPOUKLB-RYUDHWBXSA-N 1 1 309.370 -1.080 20 0 DAADMO CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC001382164250 922590695 /nfs/dbraw/zinc/59/06/95/922590695.db2.gz FCKQVFZRPOUKLB-NWDGAFQWSA-N 1 1 309.370 -1.080 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CN2CCCC2=O)ncn1 ZINC001382176033 922594087 /nfs/dbraw/zinc/59/40/87/922594087.db2.gz CYWOWFBTECYQFI-CYBMUJFWSA-N 1 1 321.381 -1.026 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)c1 ZINC001382176343 922594287 /nfs/dbraw/zinc/59/42/87/922594287.db2.gz QKSAFYGRBVRZQH-GFCCVEGCSA-N 1 1 310.354 -1.207 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180885 922596897 /nfs/dbraw/zinc/59/68/97/922596897.db2.gz VJQNIFDAFSEPKZ-GHMZBOCLSA-N 1 1 320.357 -1.401 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)cn1 ZINC001382180954 922598365 /nfs/dbraw/zinc/59/83/65/922598365.db2.gz VSWYMOKRKJOYMI-LLVKDONJSA-N 1 1 306.330 -1.962 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001382186144 922601681 /nfs/dbraw/zinc/60/16/81/922601681.db2.gz FKTXUMRHCCZVRV-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001382187621 922602007 /nfs/dbraw/zinc/60/20/07/922602007.db2.gz IPFRWKQEJFUHFR-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001382191926 922603589 /nfs/dbraw/zinc/60/35/89/922603589.db2.gz RRTSMSXRBBXYLG-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382198395 922612306 /nfs/dbraw/zinc/61/23/06/922612306.db2.gz XJVPGJKRZBPATA-LLVKDONJSA-N 1 1 307.358 -1.170 20 0 DAADMO C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)NC(N)=O ZINC001382211765 922617897 /nfs/dbraw/zinc/61/78/97/922617897.db2.gz IEEVONXGPUFLST-KOLCDFICSA-N 1 1 312.374 -1.566 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001382207986 922617974 /nfs/dbraw/zinc/61/79/74/922617974.db2.gz LZKUCGRGYZKTGP-NSHDSACASA-N 1 1 324.385 -1.675 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001382207969 922618686 /nfs/dbraw/zinc/61/86/86/922618686.db2.gz LZKUCGRGYZKTGP-LLVKDONJSA-N 1 1 324.385 -1.675 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)c1cn[nH]c(=O)c1 ZINC001382216064 922623010 /nfs/dbraw/zinc/62/30/10/922623010.db2.gz VEKIQXRYNOIZHA-MRVPVSSYSA-N 1 1 310.339 -1.086 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001382230146 922631544 /nfs/dbraw/zinc/63/15/44/922631544.db2.gz LZYCWUNFDUBXPA-MNOVXSKESA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001382233243 922631851 /nfs/dbraw/zinc/63/18/51/922631851.db2.gz GNORFLMQVSPTKG-SNVBAGLBSA-N 1 1 306.326 -1.616 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001382228580 922631870 /nfs/dbraw/zinc/63/18/70/922631870.db2.gz BMFCEJJSFVGOKX-NEPJUHHUSA-N 1 1 323.397 -1.097 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001382230145 922632294 /nfs/dbraw/zinc/63/22/94/922632294.db2.gz LZYCWUNFDUBXPA-GHMZBOCLSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001382232355 922632565 /nfs/dbraw/zinc/63/25/65/922632565.db2.gz CGVPGAOADYIYJY-NWDGAFQWSA-N 1 1 314.430 -1.128 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001382235970 922633409 /nfs/dbraw/zinc/63/34/09/922633409.db2.gz LALBTACFRZPDLZ-GHMZBOCLSA-N 1 1 309.370 -1.392 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001382235973 922634026 /nfs/dbraw/zinc/63/40/26/922634026.db2.gz LALBTACFRZPDLZ-WDEREUQCSA-N 1 1 309.370 -1.392 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382235557 922635464 /nfs/dbraw/zinc/63/54/64/922635464.db2.gz KMQZLZFGWJLMIV-FTYKPCCVSA-N 1 1 309.370 -1.243 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001382238162 922635592 /nfs/dbraw/zinc/63/55/92/922635592.db2.gz FFHJJTZZXIDQJD-BDAKNGLRSA-N 1 1 300.363 -1.583 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(=O)NC)[NH+](C)C ZINC001382242721 922636343 /nfs/dbraw/zinc/63/63/43/922636343.db2.gz OXUNBHYTKOYVPU-UWVGGRQHSA-N 1 1 317.390 -2.151 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2cn(C)nn2)C1 ZINC001382244693 922638125 /nfs/dbraw/zinc/63/81/25/922638125.db2.gz HAVXSNNISPOZNY-YPMHNXCESA-N 1 1 310.402 -1.276 20 0 DAADMO CN1CC(C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)=NC1=O ZINC001382247252 922640236 /nfs/dbraw/zinc/64/02/36/922640236.db2.gz FUOGGEVPVGXRKY-SECBINFHSA-N 1 1 309.330 -1.902 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NCc1cnon1 ZINC001382248192 922641450 /nfs/dbraw/zinc/64/14/50/922641450.db2.gz DGMCMRGHMLGSDU-LBPRGKRZSA-N 1 1 313.358 -1.641 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)NCc1cnon1 ZINC001382248185 922641582 /nfs/dbraw/zinc/64/15/82/922641582.db2.gz DGMCMRGHMLGSDU-GFCCVEGCSA-N 1 1 313.358 -1.641 20 0 DAADMO C[C@H](C[NH2+][C@H](CO)CNC(=O)c1ncn[nH]1)CS(C)(=O)=O ZINC001382253424 922643641 /nfs/dbraw/zinc/64/36/41/922643641.db2.gz LFSZNWYRJLGHRJ-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO C[C@H](C[NH2+][C@H](CO)CNC(=O)c1nc[nH]n1)CS(C)(=O)=O ZINC001382253424 922643648 /nfs/dbraw/zinc/64/36/48/922643648.db2.gz LFSZNWYRJLGHRJ-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)CCn1cnnn1 ZINC001382253471 922644263 /nfs/dbraw/zinc/64/42/63/922644263.db2.gz KTZRHXWQIFZJOB-JTQLQIEISA-N 1 1 309.330 -1.373 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001382254039 922644658 /nfs/dbraw/zinc/64/46/58/922644658.db2.gz ZUEGRXQJEFGJCG-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)on1 ZINC001382254825 922645658 /nfs/dbraw/zinc/64/56/58/922645658.db2.gz ZXXQEAHLFBMNQX-ONGXEEELSA-N 1 1 311.342 -1.427 20 0 DAADMO Cn1nncc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382268246 922652278 /nfs/dbraw/zinc/65/22/78/922652278.db2.gz UMTOJLGFENNAMW-VXGBXAGGSA-N 1 1 310.402 -1.276 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001382263067 922652717 /nfs/dbraw/zinc/65/27/17/922652717.db2.gz DHEHPHCCVTYSGA-LBPRGKRZSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271036 922654553 /nfs/dbraw/zinc/65/45/53/922654553.db2.gz DXZUFKKBAOMBTC-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271036 922654557 /nfs/dbraw/zinc/65/45/57/922654557.db2.gz DXZUFKKBAOMBTC-DGCLKSJQSA-N 1 1 322.365 -1.381 20 0 DAADMO CCN(CC)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382270815 922657289 /nfs/dbraw/zinc/65/72/89/922657289.db2.gz DRPYYXARJKLTQM-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CCN(CC)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382270815 922657298 /nfs/dbraw/zinc/65/72/98/922657298.db2.gz DRPYYXARJKLTQM-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO CCn1ncc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001382274914 922659227 /nfs/dbraw/zinc/65/92/27/922659227.db2.gz QHULOYBRSKEAHO-WCQYABFASA-N 1 1 310.402 -1.184 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273618 922659481 /nfs/dbraw/zinc/65/94/81/922659481.db2.gz LRXSJPFGTPOAAU-NEPJUHHUSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(C)(C)C)C1 ZINC001382273618 922659486 /nfs/dbraw/zinc/65/94/86/922659486.db2.gz LRXSJPFGTPOAAU-NEPJUHHUSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001382277189 922661516 /nfs/dbraw/zinc/66/15/16/922661516.db2.gz ZYCNVHHREXZXJJ-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275832 922661717 /nfs/dbraw/zinc/66/17/17/922661717.db2.gz UGDKXPXKXUPEBX-STQMWFEESA-N 1 1 312.414 -1.469 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NCC2CC2)C1 ZINC001382275832 922661732 /nfs/dbraw/zinc/66/17/32/922661732.db2.gz UGDKXPXKXUPEBX-STQMWFEESA-N 1 1 312.414 -1.469 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)cn1 ZINC001382289163 922668709 /nfs/dbraw/zinc/66/87/09/922668709.db2.gz XEJIPSKRMCLJPZ-LBPRGKRZSA-N 1 1 305.342 -1.357 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001382301998 922675957 /nfs/dbraw/zinc/67/59/57/922675957.db2.gz MKQYKYPTXPXXQM-VHSXEESVSA-N 1 1 324.389 -1.392 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382318219 922681805 /nfs/dbraw/zinc/68/18/05/922681805.db2.gz BIRJAPDYOKZUEZ-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001382332243 922686659 /nfs/dbraw/zinc/68/66/59/922686659.db2.gz PPRGYPOIJUFBOJ-BZPMIXESSA-N 1 1 324.385 -1.206 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001382326750 922686825 /nfs/dbraw/zinc/68/68/25/922686825.db2.gz FREAFMCVXMKOQT-NXEZZACHSA-N 1 1 316.358 -1.970 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333717 922689135 /nfs/dbraw/zinc/68/91/35/922689135.db2.gz OXVOHFJGJXIDTI-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333717 922689140 /nfs/dbraw/zinc/68/91/40/922689140.db2.gz OXVOHFJGJXIDTI-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333708 922689150 /nfs/dbraw/zinc/68/91/50/922689150.db2.gz OXVOHFJGJXIDTI-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333708 922689158 /nfs/dbraw/zinc/68/91/58/922689158.db2.gz OXVOHFJGJXIDTI-MWLCHTKSSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333683 922689542 /nfs/dbraw/zinc/68/95/42/922689542.db2.gz OXVOHFJGJXIDTI-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333683 922689558 /nfs/dbraw/zinc/68/95/58/922689558.db2.gz OXVOHFJGJXIDTI-GXSJLCMTSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333695 922690039 /nfs/dbraw/zinc/69/00/39/922690039.db2.gz OXVOHFJGJXIDTI-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001382333695 922690052 /nfs/dbraw/zinc/69/00/52/922690052.db2.gz OXVOHFJGJXIDTI-KOLCDFICSA-N 1 1 311.342 -2.053 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001382348609 922692454 /nfs/dbraw/zinc/69/24/54/922692454.db2.gz QUDBOUFFGFWVBS-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369580 922699982 /nfs/dbraw/zinc/69/99/82/922699982.db2.gz GHISMTROUGGRHW-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(C)O)C1 ZINC001382369580 922699992 /nfs/dbraw/zinc/69/99/92/922699992.db2.gz GHISMTROUGGRHW-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001382373521 922700220 /nfs/dbraw/zinc/70/02/20/922700220.db2.gz AMXXEYPXSBEXSK-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001382373521 922700230 /nfs/dbraw/zinc/70/02/30/922700230.db2.gz AMXXEYPXSBEXSK-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382370719 922700301 /nfs/dbraw/zinc/70/03/01/922700301.db2.gz SBJPYDAHVUZEAU-NXEZZACHSA-N 1 1 310.358 -1.586 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370441 922700575 /nfs/dbraw/zinc/70/05/75/922700575.db2.gz KLYLORJROBNCLW-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370441 922700590 /nfs/dbraw/zinc/70/05/90/922700590.db2.gz KLYLORJROBNCLW-VXGBXAGGSA-N 1 1 323.353 -1.986 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382370772 922700956 /nfs/dbraw/zinc/70/09/56/922700956.db2.gz SPMAKELTSTYOQL-GHMZBOCLSA-N 1 1 314.386 -1.942 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370398 922701286 /nfs/dbraw/zinc/70/12/86/922701286.db2.gz JXDPVNIIXGWOLZ-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)C)C1 ZINC001382370398 922701295 /nfs/dbraw/zinc/70/12/95/922701295.db2.gz JXDPVNIIXGWOLZ-MNOVXSKESA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)CC[N@H+]1C ZINC001382369463 922701427 /nfs/dbraw/zinc/70/14/27/922701427.db2.gz AZULXGOKJSCGOW-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382370723 922701617 /nfs/dbraw/zinc/70/16/17/922701617.db2.gz SBJPYDAHVUZEAU-VHSXEESVSA-N 1 1 310.358 -1.586 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370436 922701863 /nfs/dbraw/zinc/70/18/63/922701863.db2.gz KLYLORJROBNCLW-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cncnc2)C1 ZINC001382370436 922701880 /nfs/dbraw/zinc/70/18/80/922701880.db2.gz KLYLORJROBNCLW-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cc[nH]n2)CC[N@H+]1C ZINC001382369462 922702098 /nfs/dbraw/zinc/70/20/98/922702098.db2.gz AZULXGOKJSCGOW-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cn(C)cn1 ZINC001382373526 922702428 /nfs/dbraw/zinc/70/24/28/922702428.db2.gz AOBJNJAMPYBOHY-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CCn1cncn1 ZINC001382380461 922707067 /nfs/dbraw/zinc/70/70/67/922707067.db2.gz AKJKQFODTZKERI-LBPRGKRZSA-N 1 1 322.373 -1.594 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)c[nH]1 ZINC001382386928 922709601 /nfs/dbraw/zinc/70/96/01/922709601.db2.gz JIWMXVNLEXBBCD-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001382387020 922709942 /nfs/dbraw/zinc/70/99/42/922709942.db2.gz JYUUNADTAMYKKV-SNVBAGLBSA-N 1 1 312.374 -1.750 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001382385392 922710614 /nfs/dbraw/zinc/71/06/14/922710614.db2.gz BFGHYYANTIKJGZ-ZJUUUORDSA-N 1 1 300.363 -1.284 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc(C)[nH]1 ZINC001382388205 922712476 /nfs/dbraw/zinc/71/24/76/922712476.db2.gz LVVRZWCPVYLGOI-GHMZBOCLSA-N 1 1 300.359 -1.252 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)c1N ZINC001382394317 922716185 /nfs/dbraw/zinc/71/61/85/922716185.db2.gz ZYQJKUMGTVUMDF-VIFPVBQESA-N 1 1 322.373 -1.647 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cn(C)cn1 ZINC001382394933 922716885 /nfs/dbraw/zinc/71/68/85/922716885.db2.gz CWOJFOYFNMDAMT-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)c1N ZINC001382394310 922717408 /nfs/dbraw/zinc/71/74/08/922717408.db2.gz ZYQJKUMGTVUMDF-SECBINFHSA-N 1 1 322.373 -1.647 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C)C1CC1 ZINC001382393736 922718042 /nfs/dbraw/zinc/71/80/42/922718042.db2.gz OGZJMLLOZOVJBP-CMPLNLGQSA-N 1 1 312.374 -1.456 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C2=CCOCC2)C1 ZINC001382399680 922718986 /nfs/dbraw/zinc/71/89/86/922718986.db2.gz GMFIEKGICCACBI-STQMWFEESA-N 1 1 311.382 -1.122 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)cn1 ZINC001382397779 922719518 /nfs/dbraw/zinc/71/95/18/922719518.db2.gz LNBJDFYHCMJQMP-JTQLQIEISA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)NC1 ZINC001382401258 922722701 /nfs/dbraw/zinc/72/27/01/922722701.db2.gz MXRXROMJIDWDKV-JQWIXIFHSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001382401374 922724196 /nfs/dbraw/zinc/72/41/96/922724196.db2.gz PXFRKVZNSOIHRW-SNVBAGLBSA-N 1 1 312.374 -1.766 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001382408069 922725546 /nfs/dbraw/zinc/72/55/46/922725546.db2.gz YNOGIVRACYTICH-UWVGGRQHSA-N 1 1 317.390 -2.023 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001382407213 922726889 /nfs/dbraw/zinc/72/68/89/922726889.db2.gz AQNQZHINPHZYDJ-SNVBAGLBSA-N 1 1 314.346 -1.702 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001382407211 922727111 /nfs/dbraw/zinc/72/71/11/922727111.db2.gz AQNQZHINPHZYDJ-JTQLQIEISA-N 1 1 314.346 -1.702 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CNC(=O)N1 ZINC001382410228 922728521 /nfs/dbraw/zinc/72/85/21/922728521.db2.gz AXEMMQDRCXYGJD-NXEZZACHSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001382410240 922728625 /nfs/dbraw/zinc/72/86/25/922728625.db2.gz AXEMMQDRCXYGJD-UWVGGRQHSA-N 1 1 311.346 -2.595 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001382413110 922732350 /nfs/dbraw/zinc/73/23/50/922732350.db2.gz DVAKKWVBPWADQB-UWVGGRQHSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1ccn(C)n1 ZINC001382414538 922734027 /nfs/dbraw/zinc/73/40/27/922734027.db2.gz SHIVUBYXJRSMMQ-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001382420768 922737678 /nfs/dbraw/zinc/73/76/78/922737678.db2.gz MGPRVFGSILONRQ-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001382421178 922738546 /nfs/dbraw/zinc/73/85/46/922738546.db2.gz UGSRAPFFCLIFBK-QMMMGPOBSA-N 1 1 309.334 -2.141 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001382418810 922739087 /nfs/dbraw/zinc/73/90/87/922739087.db2.gz OXJRPPLAYZBJQP-ONGXEEELSA-N 1 1 324.385 -1.197 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001382421225 922739117 /nfs/dbraw/zinc/73/91/17/922739117.db2.gz UOCSSCONGGYEQB-SNVBAGLBSA-N 1 1 322.373 -1.525 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1c[nH]nn1 ZINC001382424126 922741030 /nfs/dbraw/zinc/74/10/30/922741030.db2.gz JMTIGQMAJJEFBO-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1cnn[nH]1 ZINC001382424126 922741037 /nfs/dbraw/zinc/74/10/37/922741037.db2.gz JMTIGQMAJJEFBO-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1c[nH]c(=O)n1C ZINC001382423587 922741256 /nfs/dbraw/zinc/74/12/56/922741256.db2.gz XVBPXKJQQGJKTD-VIFPVBQESA-N 1 1 323.357 -1.523 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001382423558 922742120 /nfs/dbraw/zinc/74/21/20/922742120.db2.gz XOFLLNSTSWZHPZ-SNVBAGLBSA-N 1 1 312.374 -1.386 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cnc[nH]1 ZINC001382427587 922743677 /nfs/dbraw/zinc/74/36/77/922743677.db2.gz VLZNQIOMOUFLGI-JTQLQIEISA-N 1 1 308.346 -1.915 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)CCn1cnnn1 ZINC001382429243 922745537 /nfs/dbraw/zinc/74/55/37/922745537.db2.gz WGMALCSCWRQTDO-NSHDSACASA-N 1 1 320.357 -1.538 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001382435342 922747525 /nfs/dbraw/zinc/74/75/25/922747525.db2.gz HRXVCPRVEYUTNL-JTQLQIEISA-N 1 1 309.330 -1.421 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001382430490 922747558 /nfs/dbraw/zinc/74/75/58/922747558.db2.gz KHJQUVFMMMCQHP-SNVBAGLBSA-N 1 1 300.359 -1.397 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001382430490 922747570 /nfs/dbraw/zinc/74/75/70/922747570.db2.gz KHJQUVFMMMCQHP-SNVBAGLBSA-N 1 1 300.359 -1.397 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnn(C)n2)n1 ZINC001382431619 922748740 /nfs/dbraw/zinc/74/87/40/922748740.db2.gz UKJVNSBYPKJCFY-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382434071 922748915 /nfs/dbraw/zinc/74/89/15/922748915.db2.gz MJPPACCAMPLTLQ-ZJUUUORDSA-N 1 1 310.358 -1.997 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCO1 ZINC001382437863 922750787 /nfs/dbraw/zinc/75/07/87/922750787.db2.gz HFLVYVXRDRNFIG-VHSXEESVSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCCO1 ZINC001382437863 922750796 /nfs/dbraw/zinc/75/07/96/922750796.db2.gz HFLVYVXRDRNFIG-VHSXEESVSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCCO1 ZINC001382437868 922751074 /nfs/dbraw/zinc/75/10/74/922751074.db2.gz HFLVYVXRDRNFIG-ZJUUUORDSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCCO1 ZINC001382437868 922751089 /nfs/dbraw/zinc/75/10/89/922751089.db2.gz HFLVYVXRDRNFIG-ZJUUUORDSA-N 1 1 316.358 -1.889 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccn(C)n1 ZINC001382437994 922752333 /nfs/dbraw/zinc/75/23/33/922752333.db2.gz DBPAHVUNWVNFAP-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1nccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001382441040 922754351 /nfs/dbraw/zinc/75/43/51/922754351.db2.gz QAVKSUVIYQUYEE-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1oncc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382441609 922755202 /nfs/dbraw/zinc/75/52/02/922755202.db2.gz PAICEIARUOQJSF-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO Cc1oncc1C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382441609 922755208 /nfs/dbraw/zinc/75/52/08/922755208.db2.gz PAICEIARUOQJSF-LBPRGKRZSA-N 1 1 323.357 -1.079 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1ccnc1 ZINC001382441288 922756212 /nfs/dbraw/zinc/75/62/12/922756212.db2.gz VAEGQOZVABLMLX-LLVKDONJSA-N 1 1 307.358 -1.379 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2csnn2)C1 ZINC001382441083 922756883 /nfs/dbraw/zinc/75/68/83/922756883.db2.gz QJRDYIQGLDAMDR-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001382444920 922758654 /nfs/dbraw/zinc/75/86/54/922758654.db2.gz YKJBQZATOHUBAI-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001382448050 922758920 /nfs/dbraw/zinc/75/89/20/922758920.db2.gz URVNRHOVFNCVIK-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001382448050 922758931 /nfs/dbraw/zinc/75/89/31/922758931.db2.gz URVNRHOVFNCVIK-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001382445789 922759901 /nfs/dbraw/zinc/75/99/01/922759901.db2.gz RFUCQAAENHDLJU-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001382447827 922760228 /nfs/dbraw/zinc/76/02/28/922760228.db2.gz TWJRLEWVPGFKTM-JTQLQIEISA-N 1 1 318.374 -1.818 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001382447827 922760255 /nfs/dbraw/zinc/76/02/55/922760255.db2.gz TWJRLEWVPGFKTM-JTQLQIEISA-N 1 1 318.374 -1.818 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001382452359 922762508 /nfs/dbraw/zinc/76/25/08/922762508.db2.gz FGGVJWAAKXYFSF-QWHCGFSZSA-N 1 1 312.370 -1.151 20 0 DAADMO CC1CC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001382453554 922762557 /nfs/dbraw/zinc/76/25/57/922762557.db2.gz NLWLSZSLPMSULI-VQXHTEKXSA-N 1 1 314.386 -1.022 20 0 DAADMO CC1CC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001382453554 922762572 /nfs/dbraw/zinc/76/25/72/922762572.db2.gz NLWLSZSLPMSULI-VQXHTEKXSA-N 1 1 314.386 -1.022 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001382449039 922762721 /nfs/dbraw/zinc/76/27/21/922762721.db2.gz YRSJPGVPQGORDN-IJLUTSLNSA-N 1 1 317.386 -1.977 20 0 DAADMO Cc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]2CCNC2=O)nnn1C ZINC001382448122 922763306 /nfs/dbraw/zinc/76/33/06/922763306.db2.gz AIYKIFKWAIKWCI-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)nnn1C ZINC001382448126 922763429 /nfs/dbraw/zinc/76/34/29/922763429.db2.gz AIYKIFKWAIKWCI-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO COc1ccncc1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001382461892 922764824 /nfs/dbraw/zinc/76/48/24/922764824.db2.gz MPEGTUMBDDIHOJ-GFCCVEGCSA-N 1 1 324.381 -1.131 20 0 DAADMO COc1ccncc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001382461892 922764839 /nfs/dbraw/zinc/76/48/39/922764839.db2.gz MPEGTUMBDDIHOJ-GFCCVEGCSA-N 1 1 324.381 -1.131 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001382462284 922768435 /nfs/dbraw/zinc/76/84/35/922768435.db2.gz UZQVZBITQYLNQL-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001382462284 922768445 /nfs/dbraw/zinc/76/84/45/922768445.db2.gz UZQVZBITQYLNQL-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2ccnc2)CC[N@H+]1C ZINC001382464500 922769051 /nfs/dbraw/zinc/76/90/51/922769051.db2.gz RXAQUILABBRIGH-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1ccncn1 ZINC001382464533 922769422 /nfs/dbraw/zinc/76/94/22/922769422.db2.gz SOBHWTKZBUMITD-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1ccncn1 ZINC001382464533 922769439 /nfs/dbraw/zinc/76/94/39/922769439.db2.gz SOBHWTKZBUMITD-ZDUSSCGKSA-N 1 1 323.397 -1.094 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382465198 922769470 /nfs/dbraw/zinc/76/94/70/922769470.db2.gz GGMTYJWRRBMLAR-SECBINFHSA-N 1 1 311.342 -2.119 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382465198 922769490 /nfs/dbraw/zinc/76/94/90/922769490.db2.gz GGMTYJWRRBMLAR-SECBINFHSA-N 1 1 311.342 -2.119 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001382466642 922770359 /nfs/dbraw/zinc/77/03/59/922770359.db2.gz CIJFEKHDBZIQJE-GXSJLCMTSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001382466793 922770958 /nfs/dbraw/zinc/77/09/58/922770958.db2.gz UIWQCNIIUYXWPZ-NXEZZACHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001382464397 922771162 /nfs/dbraw/zinc/77/11/62/922771162.db2.gz AWQJWSRUUDZFFD-NEPJUHHUSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001382464397 922771177 /nfs/dbraw/zinc/77/11/77/922771177.db2.gz AWQJWSRUUDZFFD-NEPJUHHUSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001382466073 922771394 /nfs/dbraw/zinc/77/13/94/922771394.db2.gz FHEJPNYBBCASIS-UWVGGRQHSA-N 1 1 316.358 -2.282 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382466764 922771517 /nfs/dbraw/zinc/77/15/17/922771517.db2.gz ICJOKRKMBBFWFJ-KIJLLGNVSA-N 1 1 313.398 -1.106 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc2ncccn2n1 ZINC001382468086 922773022 /nfs/dbraw/zinc/77/30/22/922773022.db2.gz FOPWHPXDSQJRJT-WDEREUQCSA-N 1 1 322.369 -1.130 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001382472304 922773467 /nfs/dbraw/zinc/77/34/67/922773467.db2.gz NWZMBDYZZMAHHG-VXGBXAGGSA-N 1 1 316.402 -1.466 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001382473314 922773759 /nfs/dbraw/zinc/77/37/59/922773759.db2.gz VPZFLTJULOOUJZ-STQMWFEESA-N 1 1 312.370 -1.151 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382468396 922773785 /nfs/dbraw/zinc/77/37/85/922773785.db2.gz HDYDPVDLDKNGBT-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001382472297 922773990 /nfs/dbraw/zinc/77/39/90/922773990.db2.gz NWZMBDYZZMAHHG-NWDGAFQWSA-N 1 1 316.402 -1.466 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001382470237 922774402 /nfs/dbraw/zinc/77/44/02/922774402.db2.gz URAOQKDIBWSIQY-UWVGGRQHSA-N 1 1 312.370 -1.141 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001382476258 922775996 /nfs/dbraw/zinc/77/59/96/922775996.db2.gz FBMGQSOSBRAUOA-GHMZBOCLSA-N 1 1 324.385 -1.923 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001382476258 922776010 /nfs/dbraw/zinc/77/60/10/922776010.db2.gz FBMGQSOSBRAUOA-GHMZBOCLSA-N 1 1 324.385 -1.923 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001382474287 922776481 /nfs/dbraw/zinc/77/64/81/922776481.db2.gz REUJQMPEXNSRGH-LBPRGKRZSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001382474287 922776499 /nfs/dbraw/zinc/77/64/99/922776499.db2.gz REUJQMPEXNSRGH-LBPRGKRZSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001382474281 922776661 /nfs/dbraw/zinc/77/66/61/922776661.db2.gz REUJQMPEXNSRGH-GFCCVEGCSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001382474281 922776677 /nfs/dbraw/zinc/77/66/77/922776677.db2.gz REUJQMPEXNSRGH-GFCCVEGCSA-N 1 1 312.345 -1.000 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCC(=O)NC1 ZINC001382476107 922777117 /nfs/dbraw/zinc/77/71/17/922777117.db2.gz VIHHLPUTFKFNMW-VXGBXAGGSA-N 1 1 301.387 -1.354 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001382474797 922777453 /nfs/dbraw/zinc/77/74/53/922777453.db2.gz SKPFHEHVLPFRAW-GXSJLCMTSA-N 1 1 312.370 -1.141 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2cncn2C1 ZINC001382477685 922777533 /nfs/dbraw/zinc/77/75/33/922777533.db2.gz WVIDSIRHFBSHEN-WCQYABFASA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2cncn2C1 ZINC001382477685 922777542 /nfs/dbraw/zinc/77/75/42/922777542.db2.gz WVIDSIRHFBSHEN-WCQYABFASA-N 1 1 323.397 -1.318 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382476412 922778175 /nfs/dbraw/zinc/77/81/75/922778175.db2.gz PLTIRWKKDKCALU-BFHYXJOUSA-N 1 1 317.430 -1.161 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382476412 922778176 /nfs/dbraw/zinc/77/81/76/922778176.db2.gz PLTIRWKKDKCALU-BFHYXJOUSA-N 1 1 317.430 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001382477464 922778231 /nfs/dbraw/zinc/77/82/31/922778231.db2.gz HMVQCTBDZSLCML-MRVPVSSYSA-N 1 1 310.376 -3.228 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001382477464 922778248 /nfs/dbraw/zinc/77/82/48/922778248.db2.gz HMVQCTBDZSLCML-MRVPVSSYSA-N 1 1 310.376 -3.228 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001382476276 922779211 /nfs/dbraw/zinc/77/92/11/922779211.db2.gz FBMGQSOSBRAUOA-MNOVXSKESA-N 1 1 324.385 -1.923 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2nncn2C1 ZINC001382476276 922779216 /nfs/dbraw/zinc/77/92/16/922779216.db2.gz FBMGQSOSBRAUOA-MNOVXSKESA-N 1 1 324.385 -1.923 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382478933 922780952 /nfs/dbraw/zinc/78/09/52/922780952.db2.gz JXGYPRZQPYKXPX-VXGBXAGGSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)CCNC(N)=O ZINC001382479059 922781002 /nfs/dbraw/zinc/78/10/02/922781002.db2.gz GFTDFBIKKZJSSP-VXGBXAGGSA-N 1 1 316.402 -1.168 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)CCC1 ZINC001382480502 922782439 /nfs/dbraw/zinc/78/24/39/922782439.db2.gz MJUHRFSIEWQMHL-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)CCC1 ZINC001382480502 922782449 /nfs/dbraw/zinc/78/24/49/922782449.db2.gz MJUHRFSIEWQMHL-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001382485709 922783499 /nfs/dbraw/zinc/78/34/99/922783499.db2.gz FNVTYDXTHZXTQJ-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382510301 922789343 /nfs/dbraw/zinc/78/93/43/922789343.db2.gz USJBBHUNASPDBQ-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC001382525527 922792137 /nfs/dbraw/zinc/79/21/37/922792137.db2.gz GKLCCOWKTVSLML-SNVBAGLBSA-N 1 1 311.346 -2.374 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCNC1=O ZINC001382525527 922792152 /nfs/dbraw/zinc/79/21/52/922792152.db2.gz GKLCCOWKTVSLML-SNVBAGLBSA-N 1 1 311.346 -2.374 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cn1cnnn1 ZINC001382524367 922793375 /nfs/dbraw/zinc/79/33/75/922793375.db2.gz LMGIDZKESPGIKL-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nnn(C)c1C)[C@H]1CCNC1=O ZINC001382544921 922797843 /nfs/dbraw/zinc/79/78/43/922797843.db2.gz QTUQAMGELDIYNS-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)c1C)[C@H]1CCNC1=O ZINC001382544921 922797854 /nfs/dbraw/zinc/79/78/54/922797854.db2.gz QTUQAMGELDIYNS-NSHDSACASA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@H+](CCNC(=O)c1nnn(C)c1C)[C@@H]1CCNC1=O ZINC001382544920 922799926 /nfs/dbraw/zinc/79/99/26/922799926.db2.gz QTUQAMGELDIYNS-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1nnn(C)c1C)[C@@H]1CCNC1=O ZINC001382544920 922799939 /nfs/dbraw/zinc/79/99/39/922799939.db2.gz QTUQAMGELDIYNS-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001382545157 922800154 /nfs/dbraw/zinc/80/01/54/922800154.db2.gz RNJLHPUCTRZDDO-LLVKDONJSA-N 1 1 302.375 -2.133 20 0 DAADMO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001382545157 922800167 /nfs/dbraw/zinc/80/01/67/922800167.db2.gz RNJLHPUCTRZDDO-LLVKDONJSA-N 1 1 302.375 -2.133 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCCNC1=O ZINC001382544404 922800555 /nfs/dbraw/zinc/80/05/55/922800555.db2.gz OVFUIIWENKSJBE-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCCNC1=O ZINC001382544404 922800567 /nfs/dbraw/zinc/80/05/67/922800567.db2.gz OVFUIIWENKSJBE-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001382551856 922802067 /nfs/dbraw/zinc/80/20/67/922802067.db2.gz WXLAVCHDURIXJT-GHMZBOCLSA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ncccn1 ZINC001382548273 922802824 /nfs/dbraw/zinc/80/28/24/922802824.db2.gz HUTHCQKYKZRVRU-GHMZBOCLSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382548241 922803203 /nfs/dbraw/zinc/80/32/03/922803203.db2.gz HDVMZDHVDQDXGI-IVZWLZJFSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)(C(=O)N[C@H](CO)CNC(=O)c1ncn[nH]1)[NH+]1CCCC1 ZINC001382565813 922806186 /nfs/dbraw/zinc/80/61/86/922806186.db2.gz NGXYOEMWOVTZJO-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)(C(=O)N[C@H](CO)CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 ZINC001382565813 922806198 /nfs/dbraw/zinc/80/61/98/922806198.db2.gz NGXYOEMWOVTZJO-JTQLQIEISA-N 1 1 324.385 -1.114 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCNC1=O ZINC001382573683 922808388 /nfs/dbraw/zinc/80/83/88/922808388.db2.gz NBICPIHCNFCBCC-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCNC1=O ZINC001382573683 922808404 /nfs/dbraw/zinc/80/84/04/922808404.db2.gz NBICPIHCNFCBCC-XQHKEYJVSA-N 1 1 311.382 -1.168 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCNC1=O ZINC001382573681 922808829 /nfs/dbraw/zinc/80/88/29/922808829.db2.gz NBICPIHCNFCBCC-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCNC1=O ZINC001382573681 922808842 /nfs/dbraw/zinc/80/88/42/922808842.db2.gz NBICPIHCNFCBCC-QNWHQSFQSA-N 1 1 311.382 -1.168 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1ncccn1 ZINC001382582459 922816185 /nfs/dbraw/zinc/81/61/85/922816185.db2.gz OYGNUPHBAYPUFN-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001382625963 922823391 /nfs/dbraw/zinc/82/33/91/922823391.db2.gz YDMUXFQTBPBXLL-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001382635684 922825406 /nfs/dbraw/zinc/82/54/06/922825406.db2.gz CMEUFQQORVFSSI-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001382653259 922828792 /nfs/dbraw/zinc/82/87/92/922828792.db2.gz LNPVCJKYJSYUGH-ZDUSSCGKSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382953882 922855505 /nfs/dbraw/zinc/85/55/05/922855505.db2.gz OJICRYJPHJFMBB-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382953882 922855521 /nfs/dbraw/zinc/85/55/21/922855521.db2.gz OJICRYJPHJFMBB-MNOVXSKESA-N 1 1 324.385 -1.278 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ncc[nH]1 ZINC001382989974 922863276 /nfs/dbraw/zinc/86/32/76/922863276.db2.gz VIEOXBFDJOKNNN-MNOVXSKESA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1nccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001383037415 922873085 /nfs/dbraw/zinc/87/30/85/922873085.db2.gz DOIKAYKLXHIMOX-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001383089032 922881668 /nfs/dbraw/zinc/88/16/68/922881668.db2.gz UOPGXEYEXWZDFC-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001383127364 922889586 /nfs/dbraw/zinc/88/95/86/922889586.db2.gz CBFURRQCIUHAAL-QWRGUYRKSA-N 1 1 324.385 -1.352 20 0 DAADMO CN(C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001383127367 922889681 /nfs/dbraw/zinc/88/96/81/922889681.db2.gz CBFURRQCIUHAAL-WDEREUQCSA-N 1 1 324.385 -1.352 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001383724752 922917622 /nfs/dbraw/zinc/91/76/22/922917622.db2.gz XZWCQHIBSMMTOI-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001383729086 922917841 /nfs/dbraw/zinc/91/78/41/922917841.db2.gz DQTRISLMUBTOOM-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853751 922931572 /nfs/dbraw/zinc/93/15/72/922931572.db2.gz LJICJUMHFJLUCE-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853751 922931586 /nfs/dbraw/zinc/93/15/86/922931586.db2.gz LJICJUMHFJLUCE-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853736 922933452 /nfs/dbraw/zinc/93/34/52/922933452.db2.gz LJICJUMHFJLUCE-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cccnc2)C1 ZINC001383853736 922933461 /nfs/dbraw/zinc/93/34/61/922933461.db2.gz LJICJUMHFJLUCE-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001383861094 922935703 /nfs/dbraw/zinc/93/57/03/922935703.db2.gz GUZPSZIIQDLWPF-NSHDSACASA-N 1 1 324.337 -1.327 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2cnn(C)c2)C1 ZINC001383861328 922935778 /nfs/dbraw/zinc/93/57/78/922935778.db2.gz JAUVQCZMOXZUCC-DGCLKSJQSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cnn(C)c2)C1 ZINC001383861333 922936125 /nfs/dbraw/zinc/93/61/25/922936125.db2.gz JAUVQCZMOXZUCC-YPMHNXCESA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001383867460 922940959 /nfs/dbraw/zinc/94/09/59/922940959.db2.gz SKFAOFSBOZILMO-MNOVXSKESA-N 1 1 313.354 -1.438 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)CCn1cccn1 ZINC001383881342 922951152 /nfs/dbraw/zinc/95/11/52/922951152.db2.gz ZNNZLPZSXYMSIX-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383889370 922957643 /nfs/dbraw/zinc/95/76/43/922957643.db2.gz MSWKKRMUZLCDGL-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH]ccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383889370 922957658 /nfs/dbraw/zinc/95/76/58/922957658.db2.gz MSWKKRMUZLCDGL-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891575 922959633 /nfs/dbraw/zinc/95/96/33/922959633.db2.gz VHPAPYHUBDMLPN-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891575 922959647 /nfs/dbraw/zinc/95/96/47/922959647.db2.gz VHPAPYHUBDMLPN-STQMWFEESA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891572 922960249 /nfs/dbraw/zinc/96/02/49/922960249.db2.gz VHPAPYHUBDMLPN-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccncc2)C1 ZINC001383891572 922960258 /nfs/dbraw/zinc/96/02/58/922960258.db2.gz VHPAPYHUBDMLPN-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)c1N ZINC001383897387 922962584 /nfs/dbraw/zinc/96/25/84/922962584.db2.gz UQDIATDZSNXUSD-GXSJLCMTSA-N 1 1 324.385 -1.697 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cncnc1 ZINC001383897956 922963145 /nfs/dbraw/zinc/96/31/45/922963145.db2.gz GDEBJJDIBMZBEV-NWDGAFQWSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896525 922963480 /nfs/dbraw/zinc/96/34/80/922963480.db2.gz MYAXKRJAGXMNLN-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001383896525 922963488 /nfs/dbraw/zinc/96/34/88/922963488.db2.gz MYAXKRJAGXMNLN-NWDGAFQWSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001383911852 922972056 /nfs/dbraw/zinc/97/20/56/922972056.db2.gz PVGXRZLMDQSAKF-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)COCC2CC2)C1 ZINC001383922868 922977321 /nfs/dbraw/zinc/97/73/21/922977321.db2.gz CERQGVOHCPHCDT-STQMWFEESA-N 1 1 313.398 -1.042 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001383916387 922977616 /nfs/dbraw/zinc/97/76/16/922977616.db2.gz ZXEWGAYBYYLXIL-NXEZZACHSA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)n1 ZINC001383925422 922978962 /nfs/dbraw/zinc/97/89/62/922978962.db2.gz KEXUDXZHPCUEAF-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001383924798 922980358 /nfs/dbraw/zinc/98/03/58/922980358.db2.gz DJKVLZNPQJKFLO-GMTAPVOTSA-N 1 1 324.385 -1.340 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cn1ncnn1 ZINC001383927706 922980755 /nfs/dbraw/zinc/98/07/55/922980755.db2.gz NXGKMRLALHYKNX-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)COCC(F)F)C1 ZINC001383931231 922981531 /nfs/dbraw/zinc/98/15/31/922981531.db2.gz ZAHCISCGQZYWCR-VHSXEESVSA-N 1 1 323.340 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cc2cncnc2)C1 ZINC001383929148 922981938 /nfs/dbraw/zinc/98/19/38/922981938.db2.gz SFJZBGQYAZJJSW-CHWSQXEVSA-N 1 1 321.381 -1.436 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cc2cncnc2)C1 ZINC001383929151 922982463 /nfs/dbraw/zinc/98/24/63/922982463.db2.gz SFJZBGQYAZJJSW-STQMWFEESA-N 1 1 321.381 -1.436 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001383955530 922991140 /nfs/dbraw/zinc/99/11/40/922991140.db2.gz GSSVSTDRZLTJQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955530 922991156 /nfs/dbraw/zinc/99/11/56/922991156.db2.gz GSSVSTDRZLTJQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001383955530 922991174 /nfs/dbraw/zinc/99/11/74/922991174.db2.gz GSSVSTDRZLTJQU-QWRGUYRKSA-N 1 1 324.385 -1.114 20 0 DAADMO CSCC(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001383966575 922996636 /nfs/dbraw/zinc/99/66/36/922996636.db2.gz AYYUOEFJXUJODZ-LLVKDONJSA-N 1 1 319.427 -1.335 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001383968867 922998444 /nfs/dbraw/zinc/99/84/44/922998444.db2.gz MLEJZUSYEJUJTM-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cn1nccn1 ZINC001383971677 922998578 /nfs/dbraw/zinc/99/85/78/922998578.db2.gz UZABKRHKSSSZAP-NSHDSACASA-N 1 1 321.341 -1.923 20 0 DAADMO CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001383978480 923000683 /nfs/dbraw/zinc/00/06/83/923000683.db2.gz DEIPPVDKYXPKQI-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001383993846 923013712 /nfs/dbraw/zinc/01/37/12/923013712.db2.gz QJCFPFLIDSKFLZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993846 923013727 /nfs/dbraw/zinc/01/37/27/923013727.db2.gz QJCFPFLIDSKFLZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993846 923013744 /nfs/dbraw/zinc/01/37/44/923013744.db2.gz QJCFPFLIDSKFLZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993846 923013760 /nfs/dbraw/zinc/01/37/60/923013760.db2.gz QJCFPFLIDSKFLZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993846 923013775 /nfs/dbraw/zinc/01/37/75/923013775.db2.gz QJCFPFLIDSKFLZ-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncccn1 ZINC001384015400 923026899 /nfs/dbraw/zinc/02/68/99/923026899.db2.gz OEVAHMCZBXWORF-GHMZBOCLSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)c1ncccn1 ZINC001384019996 923029549 /nfs/dbraw/zinc/02/95/49/923029549.db2.gz UBXKIPNXUKXWLE-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001384019510 923030590 /nfs/dbraw/zinc/03/05/90/923030590.db2.gz YJLQDWVBNBLIED-PSASIEDQSA-N 1 1 313.333 -1.150 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001384032870 923034842 /nfs/dbraw/zinc/03/48/42/923034842.db2.gz XQLIDGIOSJRRHR-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001384058851 923040184 /nfs/dbraw/zinc/04/01/84/923040184.db2.gz ZALTXRWEACJNNI-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058851 923040197 /nfs/dbraw/zinc/04/01/97/923040197.db2.gz ZALTXRWEACJNNI-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001384058851 923040217 /nfs/dbraw/zinc/04/02/17/923040217.db2.gz ZALTXRWEACJNNI-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1 ZINC001384195826 923051454 /nfs/dbraw/zinc/05/14/54/923051454.db2.gz KBDMQILIUHEKCH-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)COC)[C@@H](O)C2)C1 ZINC001384195826 923051466 /nfs/dbraw/zinc/05/14/66/923051466.db2.gz KBDMQILIUHEKCH-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001384203276 923056592 /nfs/dbraw/zinc/05/65/92/923056592.db2.gz XHQSCBJOBAMNHO-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001384212424 923062039 /nfs/dbraw/zinc/06/20/39/923062039.db2.gz JPCLAJSJPPCQBW-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001384228551 923067784 /nfs/dbraw/zinc/06/77/84/923067784.db2.gz XBPPYLZLXZLUNG-GHMZBOCLSA-N 1 1 324.385 -1.684 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001384236943 923068868 /nfs/dbraw/zinc/06/88/68/923068868.db2.gz YRYYVPXHYYAKGX-MNOVXSKESA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1O ZINC001384231983 923068933 /nfs/dbraw/zinc/06/89/33/923068933.db2.gz UKRYPIDSBVPZFM-OLZOCXBDSA-N 1 1 323.397 -1.089 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001384232425 923070476 /nfs/dbraw/zinc/07/04/76/923070476.db2.gz FZMCUAZSLBOPGS-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001384232425 923070491 /nfs/dbraw/zinc/07/04/91/923070491.db2.gz FZMCUAZSLBOPGS-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001384232425 923070507 /nfs/dbraw/zinc/07/05/07/923070507.db2.gz FZMCUAZSLBOPGS-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1ncc[nH]1 ZINC001384255468 923077797 /nfs/dbraw/zinc/07/77/97/923077797.db2.gz LRYHFMNGIPAPES-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001384250909 923078748 /nfs/dbraw/zinc/07/87/48/923078748.db2.gz KYTDDNRVNWIBRF-JTQLQIEISA-N 1 1 312.374 -1.306 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1cnon1 ZINC001384264836 923083299 /nfs/dbraw/zinc/08/32/99/923083299.db2.gz UPOKLUKDCPUKMH-SNVBAGLBSA-N 1 1 313.358 -1.040 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)c1cnon1 ZINC001384264834 923083882 /nfs/dbraw/zinc/08/38/82/923083882.db2.gz UPOKLUKDCPUKMH-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)CNC(N)=O)C1 ZINC001384440832 923093255 /nfs/dbraw/zinc/09/32/55/923093255.db2.gz HZTAKGVXVOSGRF-ILDUYXDCSA-N 1 1 311.386 -1.146 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001384715940 923101002 /nfs/dbraw/zinc/10/10/02/923101002.db2.gz DRTWFFLQPZLKOJ-VXGBXAGGSA-N 1 1 310.354 -1.084 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2O)C1 ZINC001384722778 923103841 /nfs/dbraw/zinc/10/38/41/923103841.db2.gz SYAHKGDDUTYRBJ-OPRDCNLKSA-N 1 1 313.358 -2.706 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001384730758 923106550 /nfs/dbraw/zinc/10/65/50/923106550.db2.gz RAJVIFSFYXZMMZ-VXGBXAGGSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001384730758 923106565 /nfs/dbraw/zinc/10/65/65/923106565.db2.gz RAJVIFSFYXZMMZ-VXGBXAGGSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001384730758 923106574 /nfs/dbraw/zinc/10/65/74/923106574.db2.gz RAJVIFSFYXZMMZ-VXGBXAGGSA-N 1 1 324.385 -1.162 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001384740387 923109133 /nfs/dbraw/zinc/10/91/33/923109133.db2.gz WNMYBSKAESJKSK-NXEZZACHSA-N 1 1 310.358 -1.634 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001384805754 923122060 /nfs/dbraw/zinc/12/20/60/923122060.db2.gz XDEPVZZLAYXBTO-NEPJUHHUSA-N 1 1 323.353 -1.984 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001385133644 923148098 /nfs/dbraw/zinc/14/80/98/923148098.db2.gz ATPZMKMFPGVYLB-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001385310848 923164021 /nfs/dbraw/zinc/16/40/21/923164021.db2.gz YCECNVRFIHMXSC-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)CNC(N)=O)CC1 ZINC001385345645 923167960 /nfs/dbraw/zinc/16/79/60/923167960.db2.gz KPBKPFVHWNUYBJ-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385337286 923168134 /nfs/dbraw/zinc/16/81/34/923168134.db2.gz BIGDTXJHXOSSHV-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CCNC(C)=O)CC2)C1 ZINC001385523721 923175642 /nfs/dbraw/zinc/17/56/42/923175642.db2.gz ZYNCTMCEQKXIIF-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(CCNC(C)=O)CC2)C1 ZINC001385523721 923175653 /nfs/dbraw/zinc/17/56/53/923175653.db2.gz ZYNCTMCEQKXIIF-AWEZNQCLSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001385580331 923183309 /nfs/dbraw/zinc/18/33/09/923183309.db2.gz RUKLRIWYVJJWGZ-JTQLQIEISA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001385579933 923184230 /nfs/dbraw/zinc/18/42/30/923184230.db2.gz OZSRKTRPCXZNQD-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622584 923189306 /nfs/dbraw/zinc/18/93/06/923189306.db2.gz PJVHKNDJRZYDBK-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622584 923189324 /nfs/dbraw/zinc/18/93/24/923189324.db2.gz PJVHKNDJRZYDBK-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385613577 923189544 /nfs/dbraw/zinc/18/95/44/923189544.db2.gz KYWWRNCIOFTERA-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001385643167 923191944 /nfs/dbraw/zinc/19/19/44/923191944.db2.gz RIGYPLVJPPNEBU-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385714782 923197357 /nfs/dbraw/zinc/19/73/57/923197357.db2.gz PWJHAPOYLAOFIX-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1nnc(C(=O)NC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001385930877 923214308 /nfs/dbraw/zinc/21/43/08/923214308.db2.gz HZSHZIYKOIKVRN-MNOVXSKESA-N 1 1 321.385 -1.214 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385936332 923217239 /nfs/dbraw/zinc/21/72/39/923217239.db2.gz DFDPVNWUNRPETH-NHCYSSNCSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385941358 923217641 /nfs/dbraw/zinc/21/76/41/923217641.db2.gz JTKHOMCGOLEDIU-GMTAPVOTSA-N 1 1 311.386 -1.227 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001385963136 923218718 /nfs/dbraw/zinc/21/87/18/923218718.db2.gz XDBYORZVVJWXIU-GMTAPVOTSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1 ZINC001386103700 923229505 /nfs/dbraw/zinc/22/95/05/923229505.db2.gz JUYZMZKCSNSCEB-MEWQQHAOSA-N 1 1 323.397 -1.431 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001386105307 923229603 /nfs/dbraw/zinc/22/96/03/923229603.db2.gz RBPYYDMYXOETNM-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001386151407 923235094 /nfs/dbraw/zinc/23/50/94/923235094.db2.gz QZGVCYRDWLYZFN-GMTAPVOTSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386162987 923237909 /nfs/dbraw/zinc/23/79/09/923237909.db2.gz WEHJUIUABAZCFJ-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386162987 923237920 /nfs/dbraw/zinc/23/79/20/923237920.db2.gz WEHJUIUABAZCFJ-VHSXEESVSA-N 1 1 311.346 -2.375 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001386235732 923244811 /nfs/dbraw/zinc/24/48/11/923244811.db2.gz IKWZSWKULBAXRY-IUCAKERBSA-N 1 1 310.358 -1.131 20 0 DAADMO C[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001386227960 923245424 /nfs/dbraw/zinc/24/54/24/923245424.db2.gz DRKGDDKRSVPTLQ-UWVGGRQHSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001386275208 923250362 /nfs/dbraw/zinc/25/03/62/923250362.db2.gz AFASOHVYGYJMLN-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001386279339 923251792 /nfs/dbraw/zinc/25/17/92/923251792.db2.gz VMIXZWXIOLHRHJ-ZJUUUORDSA-N 1 1 305.400 -1.396 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001386339333 923257939 /nfs/dbraw/zinc/25/79/39/923257939.db2.gz RIMRDVMAXRTKOR-OUAUKWLOSA-N 1 1 311.386 -1.227 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386490196 923273667 /nfs/dbraw/zinc/27/36/67/923273667.db2.gz PAOMOHOGMQTLMX-DCQANWLSSA-N 1 1 324.381 -1.133 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386501516 923276027 /nfs/dbraw/zinc/27/60/27/923276027.db2.gz NLNYQXQIVNBNHT-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386501516 923276042 /nfs/dbraw/zinc/27/60/42/923276042.db2.gz NLNYQXQIVNBNHT-QWRGUYRKSA-N 1 1 310.358 -1.770 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386524909 923278480 /nfs/dbraw/zinc/27/84/80/923278480.db2.gz HRZFNZXELUSIGG-DCQANWLSSA-N 1 1 323.397 -1.560 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001386561149 923284157 /nfs/dbraw/zinc/28/41/57/923284157.db2.gz RZLVHRIOSAOZFA-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386643685 923289589 /nfs/dbraw/zinc/28/95/89/923289589.db2.gz WUCSAFQTZPGQLI-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001386658512 923291445 /nfs/dbraw/zinc/29/14/45/923291445.db2.gz AZBMPCKOTQAKLR-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386655568 923291229 /nfs/dbraw/zinc/29/12/29/923291229.db2.gz LTMODLNJJWWRFU-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386655568 923291240 /nfs/dbraw/zinc/29/12/40/923291240.db2.gz LTMODLNJJWWRFU-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CCNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001386653841 923291278 /nfs/dbraw/zinc/29/12/78/923291278.db2.gz OCRSOTYWMALAKF-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001386658512 923291460 /nfs/dbraw/zinc/29/14/60/923291460.db2.gz AZBMPCKOTQAKLR-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386655566 923291622 /nfs/dbraw/zinc/29/16/22/923291622.db2.gz LTMODLNJJWWRFU-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386655566 923291638 /nfs/dbraw/zinc/29/16/38/923291638.db2.gz LTMODLNJJWWRFU-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CNC(=O)c1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386681219 923297866 /nfs/dbraw/zinc/29/78/66/923297866.db2.gz HBRFRPVHYAMRCO-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386681219 923297879 /nfs/dbraw/zinc/29/78/79/923297879.db2.gz HBRFRPVHYAMRCO-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707371 923298925 /nfs/dbraw/zinc/29/89/25/923298925.db2.gz WXGFDJJJWMDJOH-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCNC(N)=O ZINC001386707371 923298937 /nfs/dbraw/zinc/29/89/37/923298937.db2.gz WXGFDJJJWMDJOH-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nnn1C ZINC001386705692 923300205 /nfs/dbraw/zinc/30/02/05/923300205.db2.gz UVCCFROCBUECRD-ONGXEEELSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nnn1C ZINC001386705692 923300220 /nfs/dbraw/zinc/30/02/20/923300220.db2.gz UVCCFROCBUECRD-ONGXEEELSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001386705175 923300402 /nfs/dbraw/zinc/30/04/02/923300402.db2.gz RODBZDFHIRFDBH-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn[nH]c(=O)c1 ZINC001386705175 923300416 /nfs/dbraw/zinc/30/04/16/923300416.db2.gz RODBZDFHIRFDBH-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386754295 923305792 /nfs/dbraw/zinc/30/57/92/923305792.db2.gz BGOXMQNIHGPFOR-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386754295 923305804 /nfs/dbraw/zinc/30/58/04/923305804.db2.gz BGOXMQNIHGPFOR-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386793403 923310397 /nfs/dbraw/zinc/31/03/97/923310397.db2.gz NFGJEUXKXZORIH-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386793403 923310404 /nfs/dbraw/zinc/31/04/04/923310404.db2.gz NFGJEUXKXZORIH-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)CCn1cnnn1 ZINC001386829018 923314067 /nfs/dbraw/zinc/31/40/67/923314067.db2.gz LIUHDMVMANRFOS-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386861198 923320039 /nfs/dbraw/zinc/32/00/39/923320039.db2.gz JMJBRBOFCZKBJJ-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386861198 923320057 /nfs/dbraw/zinc/32/00/57/923320057.db2.gz JMJBRBOFCZKBJJ-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)Cn1cnnn1 ZINC001386869729 923321996 /nfs/dbraw/zinc/32/19/96/923321996.db2.gz IZSTZGCAHMFFEM-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CCNC(=O)Cn1ncnn1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001386900579 923326837 /nfs/dbraw/zinc/32/68/37/923326837.db2.gz ULNJLYSIXWPBDS-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO CN(CCNC(=O)c1cn[nH]c(=O)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386944320 923332092 /nfs/dbraw/zinc/33/20/92/923332092.db2.gz GLNYXLNUOQTYDS-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CN(CCNC(=O)c1cn[nH]c(=O)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386944320 923332112 /nfs/dbraw/zinc/33/21/12/923332112.db2.gz GLNYXLNUOQTYDS-NSHDSACASA-N 1 1 323.353 -1.299 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001386981841 923336673 /nfs/dbraw/zinc/33/66/73/923336673.db2.gz GFJXDXYPBUDIBL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(=O)[C@H]1CNC(=O)N1 ZINC001387025968 923344571 /nfs/dbraw/zinc/34/45/71/923344571.db2.gz ATCYFQSOISYEHL-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001387178050 923363350 /nfs/dbraw/zinc/36/33/50/923363350.db2.gz RVRUIEAONCXGMB-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001387178050 923363363 /nfs/dbraw/zinc/36/33/63/923363363.db2.gz RVRUIEAONCXGMB-GFCCVEGCSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387188688 923365888 /nfs/dbraw/zinc/36/58/88/923365888.db2.gz IHXDNWSTIJCAIK-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387188688 923365902 /nfs/dbraw/zinc/36/59/02/923365902.db2.gz IHXDNWSTIJCAIK-PWSUYJOCSA-N 1 1 309.370 -1.096 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001387280731 923370185 /nfs/dbraw/zinc/37/01/85/923370185.db2.gz NDTKMQJGKYOEDI-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001387330121 923372348 /nfs/dbraw/zinc/37/23/48/923372348.db2.gz SDEDEHPMOOCCFS-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CC)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001387287878 923372606 /nfs/dbraw/zinc/37/26/06/923372606.db2.gz FFYHPCCKRNEXKO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001387365760 923376648 /nfs/dbraw/zinc/37/66/48/923376648.db2.gz YFONWLAJUXHMNS-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)NCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n1 ZINC001387516290 923381200 /nfs/dbraw/zinc/38/12/00/923381200.db2.gz SJSRUXTYYJWONP-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(C(=O)Cn1ncnn1)C1CC1 ZINC001387517144 923381613 /nfs/dbraw/zinc/38/16/13/923381613.db2.gz UERRSXKWUDLVMH-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1 ZINC001387524723 923383344 /nfs/dbraw/zinc/38/33/44/923383344.db2.gz ZOQYCBRZUNAKBA-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)CS(C)(=O)=O ZINC001387660220 923388924 /nfs/dbraw/zinc/38/89/24/923388924.db2.gz JNTNCFJOMWRORB-UHFFFAOYSA-N 1 1 316.383 -1.189 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387674511 923392284 /nfs/dbraw/zinc/39/22/84/923392284.db2.gz IUFADEDOVSROER-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387674511 923392299 /nfs/dbraw/zinc/39/22/99/923392299.db2.gz IUFADEDOVSROER-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001387687013 923393642 /nfs/dbraw/zinc/39/36/42/923393642.db2.gz NVJJGJNRWAUTSH-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO COCC(=O)NC1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001387694425 923395617 /nfs/dbraw/zinc/39/56/17/923395617.db2.gz UNQSKOUGXRQFQS-GFCCVEGCSA-N 1 1 309.370 -1.213 20 0 DAADMO COCC(=O)NC1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001387694426 923396992 /nfs/dbraw/zinc/39/69/92/923396992.db2.gz UNQSKOUGXRQFQS-LBPRGKRZSA-N 1 1 309.370 -1.213 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)CC[N@H+]1C ZINC001387698781 923398115 /nfs/dbraw/zinc/39/81/15/923398115.db2.gz MGHXIVFUBUTNSU-MWLCHTKSSA-N 1 1 317.411 -1.302 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001387703190 923398573 /nfs/dbraw/zinc/39/85/73/923398573.db2.gz RICPTEWYYPPYPY-UHFFFAOYSA-N 1 1 309.326 -1.125 20 0 DAADMO CCC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001387713480 923401541 /nfs/dbraw/zinc/40/15/41/923401541.db2.gz ZVNWIZNKDAOLHE-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CCC(=O)NCC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001387713480 923401548 /nfs/dbraw/zinc/40/15/48/923401548.db2.gz ZVNWIZNKDAOLHE-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001387757451 923415744 /nfs/dbraw/zinc/41/57/44/923415744.db2.gz LVDWAGGGRMMFTI-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001387769502 923418288 /nfs/dbraw/zinc/41/82/88/923418288.db2.gz QRPBFWQTAWCXRN-UHFFFAOYSA-N 1 1 307.354 -1.003 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001387786887 923420505 /nfs/dbraw/zinc/42/05/05/923420505.db2.gz MAIWHUALIBQUSJ-LLVKDONJSA-N 1 1 311.386 -1.323 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001387787493 923421487 /nfs/dbraw/zinc/42/14/87/923421487.db2.gz NJBOZVFUNAWOEU-NSHDSACASA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001387821121 923427200 /nfs/dbraw/zinc/42/72/00/923427200.db2.gz AHHWOVANAGGOEK-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001387869266 923434238 /nfs/dbraw/zinc/43/42/38/923434238.db2.gz LVZNYJTYGAULAD-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO CN(CCNC(=O)CCS(C)(=O)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387874637 923438498 /nfs/dbraw/zinc/43/84/98/923438498.db2.gz VBIOGAASUZIMEU-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)Cn1cnnn1 ZINC001387908398 923444061 /nfs/dbraw/zinc/44/40/61/923444061.db2.gz DMIHDQJOJFYJLU-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)Cn1c[nH+]cc1C ZINC001388013144 923456402 /nfs/dbraw/zinc/45/64/02/923456402.db2.gz YQNRBONBIGCGRL-LLVKDONJSA-N 1 1 320.357 -1.111 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043971 923458238 /nfs/dbraw/zinc/45/82/38/923458238.db2.gz USYYIBYHRXPGQH-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001388043971 923458244 /nfs/dbraw/zinc/45/82/44/923458244.db2.gz USYYIBYHRXPGQH-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388188239 923467881 /nfs/dbraw/zinc/46/78/81/923467881.db2.gz QHIHKPPZYFYFLF-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388188241 923468026 /nfs/dbraw/zinc/46/80/26/923468026.db2.gz QHIHKPPZYFYFLF-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001388386197 923476003 /nfs/dbraw/zinc/47/60/03/923476003.db2.gz GUHWEXJFZKBUCQ-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CNC(=O)Cn1cnnn1 ZINC001388385563 923476944 /nfs/dbraw/zinc/47/69/44/923476944.db2.gz FLXFWORKOHXDDV-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001388426213 923481368 /nfs/dbraw/zinc/48/13/68/923481368.db2.gz UTECHYBSUOGDBD-NEPJUHHUSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001388426213 923481381 /nfs/dbraw/zinc/48/13/81/923481381.db2.gz UTECHYBSUOGDBD-NEPJUHHUSA-N 1 1 324.385 -1.523 20 0 DAADMO CCCN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388581066 923488713 /nfs/dbraw/zinc/48/87/13/923488713.db2.gz FCULPNVYWLJECR-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)COC ZINC001388643697 923489743 /nfs/dbraw/zinc/48/97/43/923489743.db2.gz XMFQBPUFQISUCO-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001388656884 923492287 /nfs/dbraw/zinc/49/22/87/923492287.db2.gz CSOCSGWXOSMDRY-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001388668408 923493024 /nfs/dbraw/zinc/49/30/24/923493024.db2.gz BCCHMIRKRMUOMH-TXEJJXNPSA-N 1 1 323.401 -1.473 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNC(N)=O ZINC001388656885 923493610 /nfs/dbraw/zinc/49/36/10/923493610.db2.gz CSOCSGWXOSMDRY-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNC(N)=O ZINC001388656882 923493651 /nfs/dbraw/zinc/49/36/51/923493651.db2.gz CSOCSGWXOSMDRY-GHMZBOCLSA-N 1 1 302.375 -1.415 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001388706915 923495930 /nfs/dbraw/zinc/49/59/30/923495930.db2.gz QWMOMUKIZYEJIN-MGCOHNPYSA-N 1 1 315.399 -1.156 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001388766530 923498576 /nfs/dbraw/zinc/49/85/76/923498576.db2.gz GMADOXSIMAPURP-YFKTTZPYSA-N 1 1 324.381 -1.004 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001388772926 923498650 /nfs/dbraw/zinc/49/86/50/923498650.db2.gz DRFCKUJKMCGZHS-SNVBAGLBSA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001388772926 923498659 /nfs/dbraw/zinc/49/86/59/923498659.db2.gz DRFCKUJKMCGZHS-SNVBAGLBSA-N 1 1 323.353 -1.434 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CO1 ZINC001388763940 923499600 /nfs/dbraw/zinc/49/96/00/923499600.db2.gz GSXFQPWTRNBTKB-DTWKUNHWSA-N 1 1 323.353 -1.202 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@@H]([N@H+](CCO)CCF)C1 ZINC001388775817 923500239 /nfs/dbraw/zinc/50/02/39/923500239.db2.gz HABVFQHTBPAARV-LLVKDONJSA-N 1 1 300.338 -1.072 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[C@@H]([N@@H+](CCO)CCF)C1 ZINC001388775817 923500253 /nfs/dbraw/zinc/50/02/53/923500253.db2.gz HABVFQHTBPAARV-LLVKDONJSA-N 1 1 300.338 -1.072 20 0 DAADMO Cn1nccc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001388842568 923502373 /nfs/dbraw/zinc/50/23/73/923502373.db2.gz SBNDCGSZABNUFW-UHFFFAOYSA-N 1 1 309.370 -1.196 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001388784639 923502603 /nfs/dbraw/zinc/50/26/03/923502603.db2.gz DOTIGTXGTYJZEK-NEPJUHHUSA-N 1 1 319.427 -1.172 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CC(=O)NC(N)=O ZINC001388783633 923503100 /nfs/dbraw/zinc/50/31/00/923503100.db2.gz HXNDXBHQIZKWTF-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001388805257 923503244 /nfs/dbraw/zinc/50/32/44/923503244.db2.gz WNSLETDKSYGJFF-AXFHLTTASA-N 1 1 322.431 -1.658 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C ZINC001388805272 923503692 /nfs/dbraw/zinc/50/36/92/923503692.db2.gz WNSLETDKSYGJFF-MXWKQRLJSA-N 1 1 322.431 -1.658 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001388799406 923504176 /nfs/dbraw/zinc/50/41/76/923504176.db2.gz QDTPFUYRTMDGLY-GRYCIOLGSA-N 1 1 323.397 -1.286 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C)C(N)=O ZINC001388791934 923504637 /nfs/dbraw/zinc/50/46/37/923504637.db2.gz GVANVCQQVJLDHF-USWWRNFRSA-N 1 1 314.386 -1.672 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CC[N@H+]1CCCO ZINC001388824848 923505187 /nfs/dbraw/zinc/50/51/87/923505187.db2.gz XYWRYSUYLWKMQC-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001388823061 923505223 /nfs/dbraw/zinc/50/52/23/923505223.db2.gz NNERMYJAKAKZRE-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001388823061 923505237 /nfs/dbraw/zinc/50/52/37/923505237.db2.gz NNERMYJAKAKZRE-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001388798109 923505387 /nfs/dbraw/zinc/50/53/87/923505387.db2.gz UYKNGHFUXADVQA-XKSSXDPKSA-N 1 1 313.358 -1.715 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001388798109 923505404 /nfs/dbraw/zinc/50/54/04/923505404.db2.gz UYKNGHFUXADVQA-XKSSXDPKSA-N 1 1 313.358 -1.715 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCn2cncn2)C1 ZINC001389056567 923519037 /nfs/dbraw/zinc/51/90/37/923519037.db2.gz DAOJGOPGDOXYJH-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)COCC2CC2)C1 ZINC001389071642 923531954 /nfs/dbraw/zinc/53/19/54/923531954.db2.gz QLIQVACNIHCSDM-STQMWFEESA-N 1 1 313.398 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001389080435 923539883 /nfs/dbraw/zinc/53/98/83/923539883.db2.gz RGUSICMLQOQCRV-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001389088875 923543830 /nfs/dbraw/zinc/54/38/30/923543830.db2.gz FFTWVDLDLOOQPE-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088875 923543839 /nfs/dbraw/zinc/54/38/39/923543839.db2.gz FFTWVDLDLOOQPE-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088875 923543854 /nfs/dbraw/zinc/54/38/54/923543854.db2.gz FFTWVDLDLOOQPE-CMPLNLGQSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2ccnn2)C1 ZINC001389085969 923545040 /nfs/dbraw/zinc/54/50/40/923545040.db2.gz HMIIDAIIQVZQOO-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001389089557 923545937 /nfs/dbraw/zinc/54/59/37/923545937.db2.gz KVOZFRQKXFRHLN-YPMHNXCESA-N 1 1 323.397 -1.492 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001389090227 923547421 /nfs/dbraw/zinc/54/74/21/923547421.db2.gz BUQFPGBJCWJBKI-SNVBAGLBSA-N 1 1 312.374 -1.638 20 0 DAADMO COCC1(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001389106560 923555135 /nfs/dbraw/zinc/55/51/35/923555135.db2.gz RDYXZOAVIREVLD-VXGBXAGGSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001389101965 923555972 /nfs/dbraw/zinc/55/59/72/923555972.db2.gz GTJKDOPHRZUOGV-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001389101965 923555987 /nfs/dbraw/zinc/55/59/87/923555987.db2.gz GTJKDOPHRZUOGV-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001389101965 923555994 /nfs/dbraw/zinc/55/59/94/923555994.db2.gz GTJKDOPHRZUOGV-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001389112024 923561551 /nfs/dbraw/zinc/56/15/51/923561551.db2.gz PQWLAPJYYQCQHA-WDEREUQCSA-N 1 1 324.385 -1.196 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001389158762 923570779 /nfs/dbraw/zinc/57/07/79/923570779.db2.gz CKWOFJUTVXIMPZ-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001389158762 923570787 /nfs/dbraw/zinc/57/07/87/923570787.db2.gz CKWOFJUTVXIMPZ-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001389158180 923571799 /nfs/dbraw/zinc/57/17/99/923571799.db2.gz GSDMCVQDGSQSKV-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001389212231 923584872 /nfs/dbraw/zinc/58/48/72/923584872.db2.gz QXBADTHUAQESGP-SECBINFHSA-N 1 1 318.399 -2.186 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001389236461 923587534 /nfs/dbraw/zinc/58/75/34/923587534.db2.gz QVTUMNRWYUBICN-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001389237472 923587684 /nfs/dbraw/zinc/58/76/84/923587684.db2.gz YASYWGYIABDVBZ-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)CS(C)(=O)=O)CC1 ZINC001389333689 923603870 /nfs/dbraw/zinc/60/38/70/923603870.db2.gz ROCKQFHDINZNPJ-LBPRGKRZSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cn(C)nn1 ZINC001389348168 923606460 /nfs/dbraw/zinc/60/64/60/923606460.db2.gz RFPPNDYXNNTMBF-NSHDSACASA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389349991 923606567 /nfs/dbraw/zinc/60/65/67/923606567.db2.gz DQAPEMUPJMVTMI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001389361282 923606913 /nfs/dbraw/zinc/60/69/13/923606913.db2.gz PRWZJKREMGCSTO-KGLIPLIRSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCF)C1)C(N)=O ZINC001389386467 923612924 /nfs/dbraw/zinc/61/29/24/923612924.db2.gz WHCXOMGPZOOKBG-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCF)C1)C(N)=O ZINC001389386467 923612931 /nfs/dbraw/zinc/61/29/31/923612931.db2.gz WHCXOMGPZOOKBG-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001389440011 923625810 /nfs/dbraw/zinc/62/58/10/923625810.db2.gz ULJBKYKJXLZMPF-NWDGAFQWSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001389440011 923625822 /nfs/dbraw/zinc/62/58/22/923625822.db2.gz ULJBKYKJXLZMPF-NWDGAFQWSA-N 1 1 317.411 -1.252 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451372 923625946 /nfs/dbraw/zinc/62/59/46/923625946.db2.gz LSXQOAADFFUMCQ-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)c1 ZINC001389451372 923625955 /nfs/dbraw/zinc/62/59/55/923625955.db2.gz LSXQOAADFFUMCQ-GHMZBOCLSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001389450811 923626579 /nfs/dbraw/zinc/62/65/79/923626579.db2.gz CPZMPJWBSZYGQI-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001389450312 923627047 /nfs/dbraw/zinc/62/70/47/923627047.db2.gz DQNSNWQVAIWAPW-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001389450312 923627059 /nfs/dbraw/zinc/62/70/59/923627059.db2.gz DQNSNWQVAIWAPW-WPRPVWTQSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001389453663 923628082 /nfs/dbraw/zinc/62/80/82/923628082.db2.gz RWZKHZWEMDOOFP-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001389453663 923628092 /nfs/dbraw/zinc/62/80/92/923628092.db2.gz RWZKHZWEMDOOFP-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001389462251 923628806 /nfs/dbraw/zinc/62/88/06/923628806.db2.gz HFLCMEUBSQIPJP-ZYHUDNBSSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001389461957 923630477 /nfs/dbraw/zinc/63/04/77/923630477.db2.gz NFXGOCJYDHCLDP-LLVKDONJSA-N 1 1 324.389 -1.429 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001389461957 923630482 /nfs/dbraw/zinc/63/04/82/923630482.db2.gz NFXGOCJYDHCLDP-LLVKDONJSA-N 1 1 324.389 -1.429 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001389469880 923631151 /nfs/dbraw/zinc/63/11/51/923631151.db2.gz QRNQEQQVVODXQG-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478484 923632007 /nfs/dbraw/zinc/63/20/07/923632007.db2.gz GBJFVOZCCQDZKC-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478484 923632021 /nfs/dbraw/zinc/63/20/21/923632021.db2.gz GBJFVOZCCQDZKC-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478474 923632312 /nfs/dbraw/zinc/63/23/12/923632312.db2.gz GBJFVOZCCQDZKC-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001389478474 923632322 /nfs/dbraw/zinc/63/23/22/923632322.db2.gz GBJFVOZCCQDZKC-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001389482499 923636651 /nfs/dbraw/zinc/63/66/51/923636651.db2.gz NWBURERGJGCFFB-GXSJLCMTSA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001389482986 923636764 /nfs/dbraw/zinc/63/67/64/923636764.db2.gz BCTJBPGCIBCKSG-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1)C1CC1 ZINC001389496407 923639111 /nfs/dbraw/zinc/63/91/11/923639111.db2.gz BLGNJAFWJSPWLS-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1)C1CC1 ZINC001389496407 923639121 /nfs/dbraw/zinc/63/91/21/923639121.db2.gz BLGNJAFWJSPWLS-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001389500328 923640203 /nfs/dbraw/zinc/64/02/03/923640203.db2.gz BTVMMILVBXQLJK-QWRGUYRKSA-N 1 1 310.354 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCNS(C)(=O)=O)C2)C1 ZINC001389514203 923640293 /nfs/dbraw/zinc/64/02/93/923640293.db2.gz SIHSMDNRUOFJLI-RYUDHWBXSA-N 1 1 318.443 -1.322 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001389577476 923649526 /nfs/dbraw/zinc/64/95/26/923649526.db2.gz RAGYIWUAKGBTDW-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)Cn2ncnn2)C2CC2)n1 ZINC001389603310 923650853 /nfs/dbraw/zinc/65/08/53/923650853.db2.gz DCSRWKFDPIQUQY-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)C1(NC(N)=O)CC1 ZINC001389620304 923654094 /nfs/dbraw/zinc/65/40/94/923654094.db2.gz CDBPNNFJUULYTK-WDEREUQCSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389633980 923656511 /nfs/dbraw/zinc/65/65/11/923656511.db2.gz ZHHBFZYDAGPRIC-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389633980 923656522 /nfs/dbraw/zinc/65/65/22/923656522.db2.gz ZHHBFZYDAGPRIC-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)CCNC(N)=O ZINC001389639369 923657056 /nfs/dbraw/zinc/65/70/56/923657056.db2.gz VBSSWOVMQYMHDJ-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001389642569 923660642 /nfs/dbraw/zinc/66/06/42/923660642.db2.gz COIKCAADCLQZCB-SECBINFHSA-N 1 1 305.346 -1.065 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001389667106 923663077 /nfs/dbraw/zinc/66/30/77/923663077.db2.gz QPAOESYVEJPWLN-VHSXEESVSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001389680922 923664694 /nfs/dbraw/zinc/66/46/94/923664694.db2.gz WXWLBDBUGXKMHK-GHMZBOCLSA-N 1 1 321.385 -1.137 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](CNC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001389673604 923665354 /nfs/dbraw/zinc/66/53/54/923665354.db2.gz YRMIKFRSZODCBV-NWDGAFQWSA-N 1 1 321.385 -1.036 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)CNC(=O)NC ZINC001389708246 923668737 /nfs/dbraw/zinc/66/87/37/923668737.db2.gz BWDZXWNCZPUPPV-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001389717554 923669387 /nfs/dbraw/zinc/66/93/87/923669387.db2.gz KOLPJISTWMNORB-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001389754513 923675330 /nfs/dbraw/zinc/67/53/30/923675330.db2.gz JHLXNLXNSHTZNN-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 ZINC001389762635 923675715 /nfs/dbraw/zinc/67/57/15/923675715.db2.gz VENRLWQTWFFIPZ-RNJOBUHISA-N 1 1 311.382 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)CS(C)(=O)=O)CC2)C1 ZINC001389800880 923680092 /nfs/dbraw/zinc/68/00/92/923680092.db2.gz HDBHTQLMTBPQNR-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001389785276 923680453 /nfs/dbraw/zinc/68/04/53/923680453.db2.gz YRQWWBDUSKGQND-ONGXEEELSA-N 1 1 322.369 -1.013 20 0 DAADMO CC(=O)NCC(=O)N1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001389814427 923683822 /nfs/dbraw/zinc/68/38/22/923683822.db2.gz JOLADWVEMUCLLT-UHFFFAOYSA-N 1 1 307.354 -1.098 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001389871539 923692742 /nfs/dbraw/zinc/69/27/42/923692742.db2.gz OQYPSDYDTOBNBB-KYZUINATSA-N 1 1 316.387 -1.618 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001389895441 923696789 /nfs/dbraw/zinc/69/67/89/923696789.db2.gz KBKFDZRDXKOQLD-GHMZBOCLSA-N 1 1 323.397 -1.083 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001389941963 923698735 /nfs/dbraw/zinc/69/87/35/923698735.db2.gz NZRJFRCWTLQDQA-JTQLQIEISA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001389941526 923699751 /nfs/dbraw/zinc/69/97/51/923699751.db2.gz ZRBCWRRUDBOMQN-OCAPTIKFSA-N 1 1 302.360 -2.009 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001389953335 923702914 /nfs/dbraw/zinc/70/29/14/923702914.db2.gz FWAUHAAEVBRDEN-WDEREUQCSA-N 1 1 323.397 -1.083 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]21 ZINC001389949996 923703054 /nfs/dbraw/zinc/70/30/54/923703054.db2.gz JVRHXQJGCZAPMV-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001389953326 923703348 /nfs/dbraw/zinc/70/33/48/923703348.db2.gz FWAUHAAEVBRDEN-MNOVXSKESA-N 1 1 323.397 -1.083 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001389972217 923704153 /nfs/dbraw/zinc/70/41/53/923704153.db2.gz BZHXABIKDZZRTM-AOOOYVTPSA-N 1 1 324.389 -1.251 20 0 DAADMO COC(=O)NCC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390021715 923711818 /nfs/dbraw/zinc/71/18/18/923711818.db2.gz APTJJCKAQCPKKV-SNVBAGLBSA-N 1 1 312.370 -1.037 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001390184955 923722092 /nfs/dbraw/zinc/72/20/92/923722092.db2.gz BDUHLUFZNVIOFH-ODXJTPSBSA-N 1 1 313.398 -1.629 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001390194215 923723675 /nfs/dbraw/zinc/72/36/75/923723675.db2.gz LQFDTQCAIGXNJB-ZXPJVPCYSA-N 1 1 311.382 -1.027 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001390219770 923724528 /nfs/dbraw/zinc/72/45/28/923724528.db2.gz HAYWBZAKMUFNBM-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H](C)CNC(=O)Cn2cnnn2)n1 ZINC001390285886 923725560 /nfs/dbraw/zinc/72/55/60/923725560.db2.gz KOIVBYHZYUPGGA-SECBINFHSA-N 1 1 307.362 -1.113 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1nncn1C ZINC001390390857 923733048 /nfs/dbraw/zinc/73/30/48/923733048.db2.gz DADIYHHDJIOZFR-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001390367859 923734248 /nfs/dbraw/zinc/73/42/48/923734248.db2.gz CUBBYRYMWPZANP-QMMMGPOBSA-N 1 1 305.346 -1.037 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001390401518 923735911 /nfs/dbraw/zinc/73/59/11/923735911.db2.gz MGYUSMDLFNRXIY-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)CN1CCOCC1=O ZINC001390396308 923736572 /nfs/dbraw/zinc/73/65/72/923736572.db2.gz GEFGHHPJTVUGDJ-SECBINFHSA-N 1 1 311.342 -1.169 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001390396437 923737340 /nfs/dbraw/zinc/73/73/40/923737340.db2.gz GEFGHHPJTVUGDJ-VIFPVBQESA-N 1 1 311.342 -1.169 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001390459201 923744424 /nfs/dbraw/zinc/74/44/24/923744424.db2.gz VHXAXBUINSVYJF-VIFPVBQESA-N 1 1 322.373 -1.307 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CNC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001390459199 923745443 /nfs/dbraw/zinc/74/54/43/923745443.db2.gz VHXAXBUINSVYJF-SECBINFHSA-N 1 1 322.373 -1.307 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001390463978 923746555 /nfs/dbraw/zinc/74/65/55/923746555.db2.gz WGCVIXSBUCBBBP-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390465099 923746579 /nfs/dbraw/zinc/74/65/79/923746579.db2.gz LPQPBEKJSDJCPL-BDAKNGLRSA-N 1 1 310.362 -1.641 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1nncn1C ZINC001390466455 923747738 /nfs/dbraw/zinc/74/77/38/923747738.db2.gz OQIXQOQSCWUYRB-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1nnnn1C ZINC001390510262 923750567 /nfs/dbraw/zinc/75/05/67/923750567.db2.gz PDTCGYDXDNGZAR-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001390505996 923751257 /nfs/dbraw/zinc/75/12/57/923751257.db2.gz HHRLOBKOTIVEAG-WDEREUQCSA-N 1 1 307.358 -1.301 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)Nc1cnccn1 ZINC001390517809 923751309 /nfs/dbraw/zinc/75/13/09/923751309.db2.gz ZPANGEXMCCSKQB-SECBINFHSA-N 1 1 318.341 -1.130 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001390503313 923751602 /nfs/dbraw/zinc/75/16/02/923751602.db2.gz DWUZXAPSIPHLEH-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001390505983 923751650 /nfs/dbraw/zinc/75/16/50/923751650.db2.gz HHRLOBKOTIVEAG-MNOVXSKESA-N 1 1 307.358 -1.301 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cnn(C)n1 ZINC001390498377 923752024 /nfs/dbraw/zinc/75/20/24/923752024.db2.gz NQKGGABYQFOLBM-JTQLQIEISA-N 1 1 322.373 -1.245 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)CCn1cnnn1 ZINC001390494240 923752069 /nfs/dbraw/zinc/75/20/69/923752069.db2.gz SGGBBCPXGFRZEF-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CCn1nc(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)ccc1=O ZINC001390490821 923752334 /nfs/dbraw/zinc/75/23/34/923752334.db2.gz RNAQDRDAZMIXGY-SECBINFHSA-N 1 1 320.357 -1.305 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)cn1 ZINC001390531799 923754455 /nfs/dbraw/zinc/75/44/55/923754455.db2.gz KWBMNAPJSWVISA-SNVBAGLBSA-N 1 1 315.399 -1.071 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001390583909 923760749 /nfs/dbraw/zinc/76/07/49/923760749.db2.gz RQCNGFFTBHCYCF-MWLCHTKSSA-N 1 1 309.374 -1.327 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001390614055 923763535 /nfs/dbraw/zinc/76/35/35/923763535.db2.gz ILOVRWRXACQDHN-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001390625265 923764818 /nfs/dbraw/zinc/76/48/18/923764818.db2.gz MRUDBCDXCRQIBK-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001390625265 923764826 /nfs/dbraw/zinc/76/48/26/923764826.db2.gz MRUDBCDXCRQIBK-MRVPVSSYSA-N 1 1 309.330 -1.464 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001390624360 923765403 /nfs/dbraw/zinc/76/54/03/923765403.db2.gz QQUNTEMPHVXONM-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001390624360 923765416 /nfs/dbraw/zinc/76/54/16/923765416.db2.gz QQUNTEMPHVXONM-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625530 923766564 /nfs/dbraw/zinc/76/65/64/923766564.db2.gz NQQSWQCYSCXBHD-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001390625530 923766578 /nfs/dbraw/zinc/76/65/78/923766578.db2.gz NQQSWQCYSCXBHD-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652788 923767104 /nfs/dbraw/zinc/76/71/04/923767104.db2.gz JAHVIQZCBQYPKN-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652788 923767115 /nfs/dbraw/zinc/76/71/15/923767115.db2.gz JAHVIQZCBQYPKN-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO C[N@@H+](CCCN1CCCC1=O)CCNC(=O)Cn1ncnn1 ZINC001390755378 923772165 /nfs/dbraw/zinc/77/21/65/923772165.db2.gz KIQKGZKMAVNZQE-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001390753204 923772208 /nfs/dbraw/zinc/77/22/08/923772208.db2.gz FHQRMRXHFJPEAC-WDEREUQCSA-N 1 1 311.342 -1.600 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001390742909 923772935 /nfs/dbraw/zinc/77/29/35/923772935.db2.gz PTCARLYEAQXSFT-LLVKDONJSA-N 1 1 307.416 -1.590 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001390742909 923772947 /nfs/dbraw/zinc/77/29/47/923772947.db2.gz PTCARLYEAQXSFT-LLVKDONJSA-N 1 1 307.416 -1.590 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001390753196 923773813 /nfs/dbraw/zinc/77/38/13/923773813.db2.gz FHQRMRXHFJPEAC-GHMZBOCLSA-N 1 1 311.342 -1.600 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001390736267 923774135 /nfs/dbraw/zinc/77/41/35/923774135.db2.gz TZVIPGJLBQTNSM-UHFFFAOYSA-N 1 1 312.378 -1.571 20 0 DAADMO C[N@H+](CCNC(=O)CC1OCCCO1)CC(=O)NC(N)=O ZINC001390755726 923774365 /nfs/dbraw/zinc/77/43/65/923774365.db2.gz RTDJADIQLXEXKX-UHFFFAOYSA-N 1 1 302.331 -1.618 20 0 DAADMO C[N@@H+](CCNC(=O)CC1OCCCO1)CC(=O)NC(N)=O ZINC001390755726 923774381 /nfs/dbraw/zinc/77/43/81/923774381.db2.gz RTDJADIQLXEXKX-UHFFFAOYSA-N 1 1 302.331 -1.618 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1C ZINC001390731778 923774454 /nfs/dbraw/zinc/77/44/54/923774454.db2.gz KHKHYIYWGVRHHE-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1C ZINC001390731778 923774464 /nfs/dbraw/zinc/77/44/64/923774464.db2.gz KHKHYIYWGVRHHE-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001390738393 923774816 /nfs/dbraw/zinc/77/48/16/923774816.db2.gz XPICZISFMDOVNT-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001390738393 923774832 /nfs/dbraw/zinc/77/48/32/923774832.db2.gz XPICZISFMDOVNT-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO Cn1c(C[N@H+](C)CCNC(=O)[C@H]2CCOC2)cc(=O)n(C)c1=O ZINC001390742444 923775323 /nfs/dbraw/zinc/77/53/23/923775323.db2.gz PBDMMLZQBDNTHN-NSHDSACASA-N 1 1 324.381 -1.332 20 0 DAADMO Cn1c(C[N@@H+](C)CCNC(=O)[C@H]2CCOC2)cc(=O)n(C)c1=O ZINC001390742444 923775328 /nfs/dbraw/zinc/77/53/28/923775328.db2.gz PBDMMLZQBDNTHN-NSHDSACASA-N 1 1 324.381 -1.332 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001390768932 923777099 /nfs/dbraw/zinc/77/70/99/923777099.db2.gz WFEWTRKXTYWVLJ-SNVBAGLBSA-N 1 1 309.374 -1.258 20 0 DAADMO CCOc1nc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001390781006 923777145 /nfs/dbraw/zinc/77/71/45/923777145.db2.gz HBFPOQAHZZQPET-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CCOc1nc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001390781006 923777161 /nfs/dbraw/zinc/77/71/61/923777161.db2.gz HBFPOQAHZZQPET-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001390761885 923777754 /nfs/dbraw/zinc/77/77/54/923777754.db2.gz QKOIQIVZRRBKHO-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCNS(C)(=O)=O ZINC001390761885 923777769 /nfs/dbraw/zinc/77/77/69/923777769.db2.gz QKOIQIVZRRBKHO-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2n[nH]nc2c1)[C@@H]1CCNC1=O ZINC001390768553 923777807 /nfs/dbraw/zinc/77/78/07/923777807.db2.gz TVILAWNVWRRYHO-SNVBAGLBSA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2n[nH]nc2c1)[C@@H]1CCNC1=O ZINC001390768553 923777817 /nfs/dbraw/zinc/77/78/17/923777817.db2.gz TVILAWNVWRRYHO-SNVBAGLBSA-N 1 1 303.326 -1.097 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810077 923779936 /nfs/dbraw/zinc/77/99/36/923779936.db2.gz VGGICNNAXRSQTH-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810077 923779945 /nfs/dbraw/zinc/77/99/45/923779945.db2.gz VGGICNNAXRSQTH-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001390798696 923781253 /nfs/dbraw/zinc/78/12/53/923781253.db2.gz SZXHGIQGAQUWEI-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccn2nnnc2c1 ZINC001390798696 923781264 /nfs/dbraw/zinc/78/12/64/923781264.db2.gz SZXHGIQGAQUWEI-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2cccnc12)CC(=O)NC(N)=O ZINC001390804879 923781382 /nfs/dbraw/zinc/78/13/82/923781382.db2.gz KBSWJQWYJBYWJT-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2cccnc12)CC(=O)NC(N)=O ZINC001390804879 923781388 /nfs/dbraw/zinc/78/13/88/923781388.db2.gz KBSWJQWYJBYWJT-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390794275 923782400 /nfs/dbraw/zinc/78/24/00/923782400.db2.gz DJVJSRIHPKAEOD-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390794275 923782412 /nfs/dbraw/zinc/78/24/12/923782412.db2.gz DJVJSRIHPKAEOD-ZJUUUORDSA-N 1 1 321.399 -2.018 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC ZINC001390783378 923782527 /nfs/dbraw/zinc/78/25/27/923782527.db2.gz NIOWJHRAMUYTLH-QWHCGFSZSA-N 1 1 303.403 -1.238 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CCn1cccn1 ZINC001390824576 923784550 /nfs/dbraw/zinc/78/45/50/923784550.db2.gz PURIADRVHFMOCO-JTQLQIEISA-N 1 1 308.342 -1.471 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1ccnc2c1nnn2C ZINC001390814330 923784934 /nfs/dbraw/zinc/78/49/34/923784934.db2.gz XHVBBXPFKSYIBM-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1ccnc2c1nnn2C ZINC001390814330 923784951 /nfs/dbraw/zinc/78/49/51/923784951.db2.gz XHVBBXPFKSYIBM-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+](C)C[C@H]1CCOC1)C(N)=O ZINC001390823297 923785662 /nfs/dbraw/zinc/78/56/62/923785662.db2.gz DDEUSZHKNTYEEN-NEPJUHHUSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001390845862 923785707 /nfs/dbraw/zinc/78/57/07/923785707.db2.gz PRNHBLCTYMEIRR-BDAKNGLRSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001390845862 923785716 /nfs/dbraw/zinc/78/57/16/923785716.db2.gz PRNHBLCTYMEIRR-BDAKNGLRSA-N 1 1 301.391 -1.009 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390817815 923785832 /nfs/dbraw/zinc/78/58/32/923785832.db2.gz ILHDIRSGBCSVEI-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001390817815 923785838 /nfs/dbraw/zinc/78/58/38/923785838.db2.gz ILHDIRSGBCSVEI-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390834182 923786487 /nfs/dbraw/zinc/78/64/87/923786487.db2.gz CHBXHLITLSACKP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390834182 923786506 /nfs/dbraw/zinc/78/65/06/923786506.db2.gz CHBXHLITLSACKP-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO COc1ncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)cn1 ZINC001390846263 923787347 /nfs/dbraw/zinc/78/73/47/923787347.db2.gz VEWJGJQBOLNVEK-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)cn1 ZINC001390846263 923787355 /nfs/dbraw/zinc/78/73/55/923787355.db2.gz VEWJGJQBOLNVEK-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@@H]1CCOC1 ZINC001390863155 923788248 /nfs/dbraw/zinc/78/82/48/923788248.db2.gz JNCYYIWAVCHLTM-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001390874243 923788570 /nfs/dbraw/zinc/78/85/70/923788570.db2.gz PGFWMCJGKZYZBB-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)[C@@H](C)C(=O)NC(N)=O ZINC001390874243 923788578 /nfs/dbraw/zinc/78/85/78/923788578.db2.gz PGFWMCJGKZYZBB-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001390857497 923788643 /nfs/dbraw/zinc/78/86/43/923788643.db2.gz LJQVSYJAPZTWKG-RYUDHWBXSA-N 1 1 311.386 -1.104 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001390864084 923789337 /nfs/dbraw/zinc/78/93/37/923789337.db2.gz QZIIFTUUWHORCF-SNVBAGLBSA-N 1 1 319.369 -1.151 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001390864084 923789349 /nfs/dbraw/zinc/78/93/49/923789349.db2.gz QZIIFTUUWHORCF-SNVBAGLBSA-N 1 1 319.369 -1.151 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001390865568 923789461 /nfs/dbraw/zinc/78/94/61/923789461.db2.gz WHOZBGIRWLXPJU-SNVBAGLBSA-N 1 1 323.353 -1.574 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)c(=O)[nH]c1=O ZINC001390865568 923789475 /nfs/dbraw/zinc/78/94/75/923789475.db2.gz WHOZBGIRWLXPJU-SNVBAGLBSA-N 1 1 323.353 -1.574 20 0 DAADMO CC[N@H+](CCNC(=O)C1=COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001390873924 923789711 /nfs/dbraw/zinc/78/97/11/923789711.db2.gz MTKPAUPXUKBTTJ-VIFPVBQESA-N 1 1 314.342 -1.104 20 0 DAADMO CC[N@@H+](CCNC(=O)C1=COCCO1)[C@@H](C)C(=O)NC(N)=O ZINC001390873924 923789720 /nfs/dbraw/zinc/78/97/20/923789720.db2.gz MTKPAUPXUKBTTJ-VIFPVBQESA-N 1 1 314.342 -1.104 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCNC(=O)CCNC(N)=O)cc1=O ZINC001390859145 923790616 /nfs/dbraw/zinc/79/06/16/923790616.db2.gz CFLADJSQFMXXSP-UHFFFAOYSA-N 1 1 309.370 -1.008 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001390864202 923790911 /nfs/dbraw/zinc/79/09/11/923790911.db2.gz NIOPZFYMBVRXGH-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001390864202 923790919 /nfs/dbraw/zinc/79/09/19/923790919.db2.gz NIOPZFYMBVRXGH-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001390865474 923790959 /nfs/dbraw/zinc/79/09/59/923790959.db2.gz VVLVIEBQSBIWSG-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001390865474 923790970 /nfs/dbraw/zinc/79/09/70/923790970.db2.gz VVLVIEBQSBIWSG-MRVPVSSYSA-N 1 1 311.342 -1.718 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001390852889 923791058 /nfs/dbraw/zinc/79/10/58/923791058.db2.gz VEBDQTFKONUIGM-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001390852889 923791065 /nfs/dbraw/zinc/79/10/65/923791065.db2.gz VEBDQTFKONUIGM-NSHDSACASA-N 1 1 307.354 -1.327 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001390853817 923791091 /nfs/dbraw/zinc/79/10/91/923791091.db2.gz ULJJFERVAJQSHN-JTQLQIEISA-N 1 1 312.374 -1.798 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001390853817 923791103 /nfs/dbraw/zinc/79/11/03/923791103.db2.gz ULJJFERVAJQSHN-JTQLQIEISA-N 1 1 312.374 -1.798 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)CCOC ZINC001390922701 923793110 /nfs/dbraw/zinc/79/31/10/923793110.db2.gz JDCAJAWBKVDQME-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)CC(=O)NC ZINC001390945669 923793675 /nfs/dbraw/zinc/79/36/75/923793675.db2.gz MJMAJGTWLVPYCN-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(C(N)=O)C1)CC(=O)NC ZINC001390945669 923793686 /nfs/dbraw/zinc/79/36/86/923793686.db2.gz MJMAJGTWLVPYCN-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCS(C)(=O)=O ZINC001390912230 923794239 /nfs/dbraw/zinc/79/42/39/923794239.db2.gz YNSWVVLKCUDSQP-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCS(C)(=O)=O ZINC001390912230 923794251 /nfs/dbraw/zinc/79/42/51/923794251.db2.gz YNSWVVLKCUDSQP-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1ncn(C)c1=O ZINC001390926564 923795218 /nfs/dbraw/zinc/79/52/18/923795218.db2.gz SBRTYOPYYYWUSY-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H]1CCCN(C)C1=O ZINC001390958314 923795547 /nfs/dbraw/zinc/79/55/47/923795547.db2.gz CEYXMFPBYWDVFW-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001390915985 923795831 /nfs/dbraw/zinc/79/58/31/923795831.db2.gz KMKFHOPOVROIIT-UHFFFAOYSA-N 1 1 312.370 -1.633 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)CCN1CCCC1=O ZINC001390893715 923795919 /nfs/dbraw/zinc/79/59/19/923795919.db2.gz BLLFMHDHMUTDNR-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001390963642 923796735 /nfs/dbraw/zinc/79/67/35/923796735.db2.gz QUNSQANLZPQLKA-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NCC1CC1 ZINC001390963642 923796748 /nfs/dbraw/zinc/79/67/48/923796748.db2.gz QUNSQANLZPQLKA-NSHDSACASA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@H+](CCNC(=O)[C@]1(F)CCOC1)CC(=O)NC(N)=O ZINC001390963130 923797629 /nfs/dbraw/zinc/79/76/29/923797629.db2.gz SPHAFBRLAVSVKK-LBPRGKRZSA-N 1 1 304.322 -1.252 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@]1(F)CCOC1)CC(=O)NC(N)=O ZINC001390963130 923797640 /nfs/dbraw/zinc/79/76/40/923797640.db2.gz SPHAFBRLAVSVKK-LBPRGKRZSA-N 1 1 304.322 -1.252 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001391046614 923797950 /nfs/dbraw/zinc/79/79/50/923797950.db2.gz NMAVYFVBCWVHOR-JTQLQIEISA-N 1 1 323.353 -1.725 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001391046614 923797963 /nfs/dbraw/zinc/79/79/63/923797963.db2.gz NMAVYFVBCWVHOR-JTQLQIEISA-N 1 1 323.353 -1.725 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391030717 923798090 /nfs/dbraw/zinc/79/80/90/923798090.db2.gz MZFRTIKQOFXBGH-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391030717 923798101 /nfs/dbraw/zinc/79/81/01/923798101.db2.gz MZFRTIKQOFXBGH-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391029836 923798264 /nfs/dbraw/zinc/79/82/64/923798264.db2.gz LNIJRKBBVJSKBT-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391047317 923798378 /nfs/dbraw/zinc/79/83/78/923798378.db2.gz JTVKFPZIHYGYCV-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)[C@H](C)C(=O)NC ZINC001391017201 923799022 /nfs/dbraw/zinc/79/90/22/923799022.db2.gz MKHJQDINTYIRLM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@H](C)C(=O)NC ZINC001391017201 923799038 /nfs/dbraw/zinc/79/90/38/923799038.db2.gz MKHJQDINTYIRLM-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001391034954 923799388 /nfs/dbraw/zinc/79/93/88/923799388.db2.gz WJPNKTZGIDXFRD-LLVKDONJSA-N 1 1 305.346 -1.455 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@@H](O)COC ZINC001391019804 923799535 /nfs/dbraw/zinc/79/95/35/923799535.db2.gz CGWTYFUWUZJNQI-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC001391006735 923799666 /nfs/dbraw/zinc/79/96/66/923799666.db2.gz AJBITAWQIDLGDZ-LLVKDONJSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC001391006735 923799673 /nfs/dbraw/zinc/79/96/73/923799673.db2.gz AJBITAWQIDLGDZ-LLVKDONJSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H](C)C(=O)NC ZINC001391017206 923799710 /nfs/dbraw/zinc/79/97/10/923799710.db2.gz MKHJQDINTYIRLM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)NC)[C@@H](C)C(=O)NC ZINC001391017206 923799715 /nfs/dbraw/zinc/79/97/15/923799715.db2.gz MKHJQDINTYIRLM-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053045 923800781 /nfs/dbraw/zinc/80/07/81/923800781.db2.gz TXXRNKBOBBZSLX-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001391053045 923800796 /nfs/dbraw/zinc/80/07/96/923800796.db2.gz TXXRNKBOBBZSLX-WDEREUQCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001391057760 923801008 /nfs/dbraw/zinc/80/10/08/923801008.db2.gz RLMLRBPFXDUDQM-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001391074370 923801119 /nfs/dbraw/zinc/80/11/19/923801119.db2.gz WEGVLAMCMYFKQY-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001391080911 923801902 /nfs/dbraw/zinc/80/19/02/923801902.db2.gz HAUBQDOHBNJQQB-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CC(C)(C)n1nnc(CC(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001391084327 923802479 /nfs/dbraw/zinc/80/24/79/923802479.db2.gz IVQGNXIXGBVLOH-JTQLQIEISA-N 1 1 323.401 -1.106 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001391057752 923802544 /nfs/dbraw/zinc/80/25/44/923802544.db2.gz RLMLRBPFXDUDQM-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)c1 ZINC001391054647 923802702 /nfs/dbraw/zinc/80/27/02/923802702.db2.gz XILJFZHEUNJZEP-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(N)=O)c1 ZINC001391054647 923802708 /nfs/dbraw/zinc/80/27/08/923802708.db2.gz XILJFZHEUNJZEP-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391082008 923803325 /nfs/dbraw/zinc/80/33/25/923803325.db2.gz BJVFMCYSXKVHBM-JTQLQIEISA-N 1 1 300.359 -1.938 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391080815 923803521 /nfs/dbraw/zinc/80/35/21/923803521.db2.gz GUARQQVNNLWGKO-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001391094059 923804902 /nfs/dbraw/zinc/80/49/02/923804902.db2.gz FEYBIYNSMXSPNZ-DTWKUNHWSA-N 1 1 323.357 -1.550 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001391110593 923805112 /nfs/dbraw/zinc/80/51/12/923805112.db2.gz LDRZZWCTFHHBNM-SNVBAGLBSA-N 1 1 323.357 -1.828 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001391098298 923805919 /nfs/dbraw/zinc/80/59/19/923805919.db2.gz RMTGWZGGWYDIJU-QWRGUYRKSA-N 1 1 300.359 -2.203 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001391107959 923806826 /nfs/dbraw/zinc/80/68/26/923806826.db2.gz CFUWGTJRRDKUJY-NSHDSACASA-N 1 1 315.399 -1.239 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001391107959 923806836 /nfs/dbraw/zinc/80/68/36/923806836.db2.gz CFUWGTJRRDKUJY-NSHDSACASA-N 1 1 315.399 -1.239 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001391090149 923807307 /nfs/dbraw/zinc/80/73/07/923807307.db2.gz RLNLPRMSHMVHDY-LLVKDONJSA-N 1 1 324.385 -1.475 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001391090149 923807316 /nfs/dbraw/zinc/80/73/16/923807316.db2.gz RLNLPRMSHMVHDY-LLVKDONJSA-N 1 1 324.385 -1.475 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391093905 923807504 /nfs/dbraw/zinc/80/75/04/923807504.db2.gz PYEPTRUNESSROC-QWRGUYRKSA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001391094030 923807621 /nfs/dbraw/zinc/80/76/21/923807621.db2.gz FEYBIYNSMXSPNZ-BDAKNGLRSA-N 1 1 323.357 -1.550 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001391115315 923809258 /nfs/dbraw/zinc/80/92/58/923809258.db2.gz VSQAFDKQOPGPEO-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC001391160655 923810357 /nfs/dbraw/zinc/81/03/57/923810357.db2.gz KJWXYXAJMWHPMR-VIFPVBQESA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391189117 923812841 /nfs/dbraw/zinc/81/28/41/923812841.db2.gz KCJNJFDEDHQBFB-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391189117 923812853 /nfs/dbraw/zinc/81/28/53/923812853.db2.gz KCJNJFDEDHQBFB-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+]([C@@H](C)C(=O)N(C)C)C1CC1 ZINC001391166897 923812911 /nfs/dbraw/zinc/81/29/11/923812911.db2.gz IWOYHEUXRXCMLT-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1CC1 ZINC001391166897 923812916 /nfs/dbraw/zinc/81/29/16/923812916.db2.gz IWOYHEUXRXCMLT-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001391183090 923813413 /nfs/dbraw/zinc/81/34/13/923813413.db2.gz BKNWDYGYBIRAIT-NEPJUHHUSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001391212813 923815790 /nfs/dbraw/zinc/81/57/90/923815790.db2.gz URRZEWNGZLAFPA-MWLCHTKSSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001391212813 923815799 /nfs/dbraw/zinc/81/57/99/923815799.db2.gz URRZEWNGZLAFPA-MWLCHTKSSA-N 1 1 311.342 -1.118 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001391204520 923815824 /nfs/dbraw/zinc/81/58/24/923815824.db2.gz QRCUMKQJDCBWLQ-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001391204518 923816491 /nfs/dbraw/zinc/81/64/91/923816491.db2.gz QRCUMKQJDCBWLQ-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO Cn1cnnc1COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001391256128 923821833 /nfs/dbraw/zinc/82/18/33/923821833.db2.gz OPRHJJQROMOSLV-TXEJJXNPSA-N 1 1 309.370 -1.001 20 0 DAADMO CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391280493 923821896 /nfs/dbraw/zinc/82/18/96/923821896.db2.gz KUHXZFPXVOZIKG-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001391297597 923822022 /nfs/dbraw/zinc/82/20/22/923822022.db2.gz WJEDDZNERSLUMK-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001391250196 923822672 /nfs/dbraw/zinc/82/26/72/923822672.db2.gz UXSRVWVSUOSESE-TUAOUCFPSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001391254837 923822702 /nfs/dbraw/zinc/82/27/02/923822702.db2.gz OQQBIJYOBLGGMG-GARJFASQSA-N 1 1 305.400 -1.408 20 0 DAADMO CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001391320212 923825296 /nfs/dbraw/zinc/82/52/96/923825296.db2.gz JDIDZHRFKZWDJP-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001391321326 923825341 /nfs/dbraw/zinc/82/53/41/923825341.db2.gz YTQNUKMCFRZNTM-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001391321326 923825346 /nfs/dbraw/zinc/82/53/46/923825346.db2.gz YTQNUKMCFRZNTM-JQWIXIFHSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)c3nnn(C)n3)C2)nn1 ZINC001391318134 923825663 /nfs/dbraw/zinc/82/56/63/923825663.db2.gz JZZROSJBMXOMGR-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)c3nnn(C)n3)C2)nn1 ZINC001391318134 923825669 /nfs/dbraw/zinc/82/56/69/923825669.db2.gz JZZROSJBMXOMGR-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001391319660 923825799 /nfs/dbraw/zinc/82/57/99/923825799.db2.gz NVIGTNBTYJPCMT-ZJUUUORDSA-N 1 1 307.358 -1.460 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001391319641 923827006 /nfs/dbraw/zinc/82/70/06/923827006.db2.gz NVIGTNBTYJPCMT-NXEZZACHSA-N 1 1 307.358 -1.460 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001391347602 923828084 /nfs/dbraw/zinc/82/80/84/923828084.db2.gz PXRRGKLDNVEPCZ-WDEREUQCSA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001391371507 923828437 /nfs/dbraw/zinc/82/84/37/923828437.db2.gz ADHWCYBDEWAUQH-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001391344055 923829400 /nfs/dbraw/zinc/82/94/00/923829400.db2.gz PKIDJBJKFMLVAQ-CHWSQXEVSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CCNC(N)=O)C1)[C@@H]1CCNC1=O ZINC001391362726 923830058 /nfs/dbraw/zinc/83/00/58/923830058.db2.gz ZCABRJLGQHQHPO-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(NCC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001391337942 923830429 /nfs/dbraw/zinc/83/04/29/923830429.db2.gz NPMOQSIGIZCSSZ-GHMZBOCLSA-N 1 1 305.400 -1.501 20 0 DAADMO O=C(NCC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001391337950 923830518 /nfs/dbraw/zinc/83/05/18/923830518.db2.gz NPMOQSIGIZCSSZ-MNOVXSKESA-N 1 1 305.400 -1.501 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001391346266 923830589 /nfs/dbraw/zinc/83/05/89/923830589.db2.gz BMRIICJWVRRDTF-QWRGUYRKSA-N 1 1 309.374 -1.283 20 0 DAADMO CCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2cnnn2)C1 ZINC001391466543 923843540 /nfs/dbraw/zinc/84/35/40/923843540.db2.gz HDOMCSMKYMFVJT-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2ncnn2)C1 ZINC001391476716 923846353 /nfs/dbraw/zinc/84/63/53/923846353.db2.gz CPDHDQSKDCEWSG-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO O=C(CCn1cncn1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001391474256 923846742 /nfs/dbraw/zinc/84/67/42/923846742.db2.gz NLMCBIWPUOABQV-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001391505487 923849745 /nfs/dbraw/zinc/84/97/45/923849745.db2.gz CAEIXUFSLXZOOO-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1=O ZINC001391521038 923852082 /nfs/dbraw/zinc/85/20/82/923852082.db2.gz JMVKVGPFIHCTKZ-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCO1 ZINC001391528925 923853763 /nfs/dbraw/zinc/85/37/63/923853763.db2.gz YVDBZRMPDDERQA-RVMXOQNASA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCO1 ZINC001391528925 923853779 /nfs/dbraw/zinc/85/37/79/923853779.db2.gz YVDBZRMPDDERQA-RVMXOQNASA-N 1 1 300.355 -1.306 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391542609 923855676 /nfs/dbraw/zinc/85/56/76/923855676.db2.gz ASWXVVDBFYMZKN-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391542609 923855685 /nfs/dbraw/zinc/85/56/85/923855685.db2.gz ASWXVVDBFYMZKN-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391542564 923855734 /nfs/dbraw/zinc/85/57/34/923855734.db2.gz ASWXVVDBFYMZKN-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391542564 923855744 /nfs/dbraw/zinc/85/57/44/923855744.db2.gz ASWXVVDBFYMZKN-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cnnn1 ZINC001391542340 923857031 /nfs/dbraw/zinc/85/70/31/923857031.db2.gz ZCJNOKDJKGZCNT-SDDRHHMPSA-N 1 1 310.358 -1.644 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001391561159 923857185 /nfs/dbraw/zinc/85/71/85/923857185.db2.gz GXRWJBDEDFPOFU-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001391544961 923857640 /nfs/dbraw/zinc/85/76/40/923857640.db2.gz VAXQLSMPFRCVBH-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001391539971 923857785 /nfs/dbraw/zinc/85/77/85/923857785.db2.gz HCEGUPSKPRRNLS-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001391539971 923857796 /nfs/dbraw/zinc/85/77/96/923857796.db2.gz HCEGUPSKPRRNLS-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001391566280 923859650 /nfs/dbraw/zinc/85/96/50/923859650.db2.gz LMQBYMVEULRQRL-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391563503 923859746 /nfs/dbraw/zinc/85/97/46/923859746.db2.gz KPBWZARBBCDYPQ-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001391573109 923860786 /nfs/dbraw/zinc/86/07/86/923860786.db2.gz HPECBONSLRQPGH-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001391584523 923860871 /nfs/dbraw/zinc/86/08/71/923860871.db2.gz DFPXOAQKBJBGIR-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001391584523 923860878 /nfs/dbraw/zinc/86/08/78/923860878.db2.gz DFPXOAQKBJBGIR-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001391584523 923860887 /nfs/dbraw/zinc/86/08/87/923860887.db2.gz DFPXOAQKBJBGIR-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCNC(N)=O)C1 ZINC001391624821 923862767 /nfs/dbraw/zinc/86/27/67/923862767.db2.gz BYQUHYCSVDYBHS-GHMZBOCLSA-N 1 1 302.375 -1.415 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001391624594 923863749 /nfs/dbraw/zinc/86/37/49/923863749.db2.gz GZYMMZCUPOEUOJ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001391612542 923864201 /nfs/dbraw/zinc/86/42/01/923864201.db2.gz GAAYALWFNOHDOV-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001391612556 923864850 /nfs/dbraw/zinc/86/48/50/923864850.db2.gz GAAYALWFNOHDOV-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001391604256 923865143 /nfs/dbraw/zinc/86/51/43/923865143.db2.gz UFRIZTLRVYRALZ-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391615800 923865221 /nfs/dbraw/zinc/86/52/21/923865221.db2.gz AVVBEZKDWAVQQS-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001391613798 923865614 /nfs/dbraw/zinc/86/56/14/923865614.db2.gz PVCNKYHUKLJOGG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001391613798 923865626 /nfs/dbraw/zinc/86/56/26/923865626.db2.gz PVCNKYHUKLJOGG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C(=O)CNC(C)=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001391623113 923865849 /nfs/dbraw/zinc/86/58/49/923865849.db2.gz DKHDAUUKMWWIAA-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO CCN(C(=O)CNC(C)=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001391623113 923865857 /nfs/dbraw/zinc/86/58/57/923865857.db2.gz DKHDAUUKMWWIAA-SNVBAGLBSA-N 1 1 313.358 -1.760 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001391650288 923868561 /nfs/dbraw/zinc/86/85/61/923868561.db2.gz OOSFRTXHUNOHLW-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391650288 923868580 /nfs/dbraw/zinc/86/85/80/923868580.db2.gz OOSFRTXHUNOHLW-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001391729432 923874936 /nfs/dbraw/zinc/87/49/36/923874936.db2.gz VMVKJLXBGFXOHZ-IUCAKERBSA-N 1 1 323.357 -1.602 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)Cn1ncnn1 ZINC001391836563 923880011 /nfs/dbraw/zinc/88/00/11/923880011.db2.gz MACOQPIQEZAMIO-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1nnn(C)n1 ZINC001391899142 923883034 /nfs/dbraw/zinc/88/30/34/923883034.db2.gz HVEBBNLDUXHIGV-SNVBAGLBSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1nnn(C)n1 ZINC001391918552 923883666 /nfs/dbraw/zinc/88/36/66/923883666.db2.gz DHHVRRXSPHJBDA-QMMMGPOBSA-N 1 1 308.346 -1.195 20 0 DAADMO Cc1noc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001391932274 923886528 /nfs/dbraw/zinc/88/65/28/923886528.db2.gz PVBOOLUBAHXFSM-CBAPKCEASA-N 1 1 324.341 -1.182 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969898 923892361 /nfs/dbraw/zinc/89/23/61/923892361.db2.gz HMKACFUHSPMAHG-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969898 923892370 /nfs/dbraw/zinc/89/23/70/923892370.db2.gz HMKACFUHSPMAHG-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976115 923893830 /nfs/dbraw/zinc/89/38/30/923893830.db2.gz IFUQSSCMZXJOKY-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976115 923893838 /nfs/dbraw/zinc/89/38/38/923893838.db2.gz IFUQSSCMZXJOKY-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001391991898 923901154 /nfs/dbraw/zinc/90/11/54/923901154.db2.gz XKRWFADIMQXLBK-MNOVXSKESA-N 1 1 300.359 -2.190 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC001391993669 923902010 /nfs/dbraw/zinc/90/20/10/923902010.db2.gz VHHFVDPIUBNCLR-JQWIXIFHSA-N 1 1 309.370 -1.118 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001391991899 923902237 /nfs/dbraw/zinc/90/22/37/923902237.db2.gz XKRWFADIMQXLBK-QWRGUYRKSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001391991894 923902337 /nfs/dbraw/zinc/90/23/37/923902337.db2.gz XKRWFADIMQXLBK-GHMZBOCLSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(C)C(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392007570 923905848 /nfs/dbraw/zinc/90/58/48/923905848.db2.gz FRMUYJHBPOFVRL-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392008874 923906527 /nfs/dbraw/zinc/90/65/27/923906527.db2.gz KEPXXOIZWQGUFZ-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392008874 923906540 /nfs/dbraw/zinc/90/65/40/923906540.db2.gz KEPXXOIZWQGUFZ-AAEUAGOBSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2nccnc2N)C1 ZINC001392044864 923919381 /nfs/dbraw/zinc/91/93/81/923919381.db2.gz XEOBCAFRFAAURW-VHSXEESVSA-N 1 1 322.369 -1.783 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nnn1C ZINC001392044072 923919561 /nfs/dbraw/zinc/91/95/61/923919561.db2.gz IMBQGNXASCYBEC-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392065205 923923716 /nfs/dbraw/zinc/92/37/16/923923716.db2.gz OWWSRTHDTIJPMV-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001392090156 923929623 /nfs/dbraw/zinc/92/96/23/923929623.db2.gz WMHDEDHVNDSWLN-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392098230 923931838 /nfs/dbraw/zinc/93/18/38/923931838.db2.gz SSHPIUXONAVTGB-NSHDSACASA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001392102719 923935414 /nfs/dbraw/zinc/93/54/14/923935414.db2.gz XNHWZDGJBHFKBG-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392101604 923936135 /nfs/dbraw/zinc/93/61/35/923936135.db2.gz BASVUBUYFPUUNY-SCZZXKLOSA-N 1 1 323.357 -1.650 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001392157655 923943187 /nfs/dbraw/zinc/94/31/87/923943187.db2.gz ZHOXDPHFPXGURZ-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001392157655 923943201 /nfs/dbraw/zinc/94/32/01/923943201.db2.gz ZHOXDPHFPXGURZ-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C(C)C)C1 ZINC001392211853 923948816 /nfs/dbraw/zinc/94/88/16/923948816.db2.gz HALHSUFREGVZCE-LBPRGKRZSA-N 1 1 323.401 -1.081 20 0 DAADMO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)Cn1cnnn1 ZINC001392261481 923952073 /nfs/dbraw/zinc/95/20/73/923952073.db2.gz VLNZQFUTMZMKFZ-UHFFFAOYSA-N 1 1 319.369 -1.038 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392259692 923952288 /nfs/dbraw/zinc/95/22/88/923952288.db2.gz MLDGRIYYJHCERS-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCOC1 ZINC001392259692 923952293 /nfs/dbraw/zinc/95/22/93/923952293.db2.gz MLDGRIYYJHCERS-UWVGGRQHSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnnn1C ZINC001392239467 923952879 /nfs/dbraw/zinc/95/28/79/923952879.db2.gz BAUMZDMSOPLGQR-SECBINFHSA-N 1 1 307.362 -1.199 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CN(C)S(C)(=O)=O ZINC001392278176 923953944 /nfs/dbraw/zinc/95/39/44/923953944.db2.gz OTKIYELELOINBX-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CN(C)S(C)(=O)=O ZINC001392278176 923953957 /nfs/dbraw/zinc/95/39/57/923953957.db2.gz OTKIYELELOINBX-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001392272003 923954695 /nfs/dbraw/zinc/95/46/95/923954695.db2.gz NLSYMBMDXMSMLG-UHFFFAOYSA-N 1 1 309.374 -1.156 20 0 DAADMO CNC(=O)CCCC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001392275458 923954963 /nfs/dbraw/zinc/95/49/63/923954963.db2.gz VMLNDIMEDGXVCP-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CNC(=O)CCCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001392275458 923954972 /nfs/dbraw/zinc/95/49/72/923954972.db2.gz VMLNDIMEDGXVCP-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)CN(C)S(C)(=O)=O ZINC001392278179 923955364 /nfs/dbraw/zinc/95/53/64/923955364.db2.gz OTKIYELELOINBX-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CN(C)S(C)(=O)=O ZINC001392278179 923955376 /nfs/dbraw/zinc/95/53/76/923955376.db2.gz OTKIYELELOINBX-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001392289207 923955766 /nfs/dbraw/zinc/95/57/66/923955766.db2.gz NQRNQHRGWHPPGH-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001392289207 923955775 /nfs/dbraw/zinc/95/57/75/923955775.db2.gz NQRNQHRGWHPPGH-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001392273183 923957671 /nfs/dbraw/zinc/95/76/71/923957671.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001392273183 923957685 /nfs/dbraw/zinc/95/76/85/923957685.db2.gz RSRLLGNDIMMARV-NWDGAFQWSA-N 1 1 300.403 -1.029 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392297879 923958819 /nfs/dbraw/zinc/95/88/19/923958819.db2.gz QUJMQORIBHKIRB-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392297879 923958832 /nfs/dbraw/zinc/95/88/32/923958832.db2.gz QUJMQORIBHKIRB-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001392305712 923959016 /nfs/dbraw/zinc/95/90/16/923959016.db2.gz FLOVFEUOLUVNJX-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001392305712 923959028 /nfs/dbraw/zinc/95/90/28/923959028.db2.gz FLOVFEUOLUVNJX-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392297876 923959764 /nfs/dbraw/zinc/95/97/64/923959764.db2.gz QUJMQORIBHKIRB-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392297876 923959770 /nfs/dbraw/zinc/95/97/70/923959770.db2.gz QUJMQORIBHKIRB-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392308548 923960974 /nfs/dbraw/zinc/96/09/74/923960974.db2.gz PWVBVYIGZVWAAT-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392308548 923960986 /nfs/dbraw/zinc/96/09/86/923960986.db2.gz PWVBVYIGZVWAAT-IUCAKERBSA-N 1 1 313.358 -1.891 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001392339993 923961892 /nfs/dbraw/zinc/96/18/92/923961892.db2.gz PDCUFQDLYZSXOW-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO COCC(=O)NC[C@@H](O)C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001392340011 923963138 /nfs/dbraw/zinc/96/31/38/923963138.db2.gz HRZMBAJXEWZCKP-QMMMGPOBSA-N 1 1 324.341 -1.718 20 0 DAADMO COCC(=O)NC[C@H](O)C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001392340010 923964055 /nfs/dbraw/zinc/96/40/55/923964055.db2.gz HRZMBAJXEWZCKP-MRVPVSSYSA-N 1 1 324.341 -1.718 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H](O)CNC(=O)CNC(C)=O)s1 ZINC001392346934 923965896 /nfs/dbraw/zinc/96/58/96/923965896.db2.gz WYKMMGMHKUBCMS-VIFPVBQESA-N 1 1 315.399 -1.197 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001392355227 923968252 /nfs/dbraw/zinc/96/82/52/923968252.db2.gz KMKZPEDUCLAGKA-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392354950 923968828 /nfs/dbraw/zinc/96/88/28/923968828.db2.gz VHHPBVYIQZJRHW-LLVKDONJSA-N 1 1 307.354 -1.334 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001392353319 923970139 /nfs/dbraw/zinc/97/01/39/923970139.db2.gz JIAQYSKHWVYWFW-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001392356898 923971289 /nfs/dbraw/zinc/97/12/89/923971289.db2.gz QGKBSKDOEMJIFC-VHSXEESVSA-N 1 1 311.342 -1.040 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001392356816 923971306 /nfs/dbraw/zinc/97/13/06/923971306.db2.gz QGKBSKDOEMJIFC-UWVGGRQHSA-N 1 1 311.342 -1.040 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1)c1nncn1C ZINC001392360961 923971956 /nfs/dbraw/zinc/97/19/56/923971956.db2.gz ADIXHKVYHQZZOP-KOLCDFICSA-N 1 1 307.358 -1.091 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001392361959 923974901 /nfs/dbraw/zinc/97/49/01/923974901.db2.gz DBNUKMLNFVDJSB-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cccnc1 ZINC001392363149 923975405 /nfs/dbraw/zinc/97/54/05/923975405.db2.gz BTRWZONKVONHRX-NSHDSACASA-N 1 1 305.342 -1.586 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)no1 ZINC001392362364 923976506 /nfs/dbraw/zinc/97/65/06/923976506.db2.gz FFCQRUWRAYDKTJ-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1ncoc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392362607 923976931 /nfs/dbraw/zinc/97/69/31/923976931.db2.gz GFDCTAAUZIYUBZ-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001392365739 923977815 /nfs/dbraw/zinc/97/78/15/923977815.db2.gz OCNUGOLUQIEEGN-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001392367308 923978168 /nfs/dbraw/zinc/97/81/68/923978168.db2.gz RSTHCUFUNXFMTN-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001392365902 923978334 /nfs/dbraw/zinc/97/83/34/923978334.db2.gz KXUCLTOXZLZSHX-RKDXNWHRSA-N 1 1 312.330 -2.270 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392367464 923978485 /nfs/dbraw/zinc/97/84/85/923978485.db2.gz SHRZUQNRBKDHMH-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001392365023 923978514 /nfs/dbraw/zinc/97/85/14/923978514.db2.gz IJZNKZTVSKEQHN-LLVKDONJSA-N 1 1 312.374 -2.286 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCOCC1)c1ncccn1 ZINC001392365572 923978866 /nfs/dbraw/zinc/97/88/66/923978866.db2.gz KBWGJRFHXFRWHA-STQMWFEESA-N 1 1 323.397 -1.064 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)cn2)nn1 ZINC001392364995 923979001 /nfs/dbraw/zinc/97/90/01/923979001.db2.gz IEZDSSZADPDRGZ-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CCCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001392365750 923979493 /nfs/dbraw/zinc/97/94/93/923979493.db2.gz OCNUGOLUQIEEGN-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO CCn1ncnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392368397 923981138 /nfs/dbraw/zinc/98/11/38/923981138.db2.gz VFWRMUKFOBQSAS-NEPJUHHUSA-N 1 1 310.402 -1.041 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001392371298 923984663 /nfs/dbraw/zinc/98/46/63/923984663.db2.gz DMRAOPRDRWXXTK-SECBINFHSA-N 1 1 321.341 -1.716 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001392375227 923985411 /nfs/dbraw/zinc/98/54/11/923985411.db2.gz LIWSLITWMLOSTF-JTQLQIEISA-N 1 1 308.346 -2.247 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001392375377 923985485 /nfs/dbraw/zinc/98/54/85/923985485.db2.gz LIWSLITWMLOSTF-SNVBAGLBSA-N 1 1 308.346 -2.247 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392375117 923985558 /nfs/dbraw/zinc/98/55/58/923985558.db2.gz NFGZLRHSWGYSGA-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cnn1C ZINC001392374832 923985809 /nfs/dbraw/zinc/98/58/09/923985809.db2.gz DTEXQMFFMRYWLS-ZDUSSCGKSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392370953 923986857 /nfs/dbraw/zinc/98/68/57/923986857.db2.gz BAXIRROISQXTAB-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCNC2=O)nc1 ZINC001392371899 923986883 /nfs/dbraw/zinc/98/68/83/923986883.db2.gz FYDNAWLFKVPQLK-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2nnn(C)n2)CC[N@H+]1C ZINC001392378123 923988044 /nfs/dbraw/zinc/98/80/44/923988044.db2.gz NPQUFLFIADCCKJ-OUAUKWLOSA-N 1 1 311.390 -1.883 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392378386 923988188 /nfs/dbraw/zinc/98/81/88/923988188.db2.gz OJGCSJAWADTQPZ-WCBMZHEXSA-N 1 1 312.374 -1.405 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)[nH]1 ZINC001392377867 923990404 /nfs/dbraw/zinc/99/04/04/923990404.db2.gz UNYVYIXHPWLYHU-JTQLQIEISA-N 1 1 308.346 -1.949 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2csc(=O)[nH]2)n1 ZINC001392387961 923998146 /nfs/dbraw/zinc/99/81/46/923998146.db2.gz BYMOJKKRSVFTPN-QMMMGPOBSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001392386568 923998313 /nfs/dbraw/zinc/99/83/13/923998313.db2.gz MCAKKHXXRCVREI-MNOVXSKESA-N 1 1 324.385 -1.559 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392385262 923998613 /nfs/dbraw/zinc/99/86/13/923998613.db2.gz XOMFYJHPTWMCCZ-STQMWFEESA-N 1 1 312.370 -1.038 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001392386109 923998843 /nfs/dbraw/zinc/99/88/43/923998843.db2.gz KSKCZJFSBFMJRZ-JTQLQIEISA-N 1 1 320.357 -1.378 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n1C ZINC001392388090 923998904 /nfs/dbraw/zinc/99/89/04/923998904.db2.gz CCHSUGUSQMDLHD-SCZZXKLOSA-N 1 1 322.373 -1.306 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nnc1C ZINC001392385672 923999522 /nfs/dbraw/zinc/99/95/22/923999522.db2.gz ANKVSINQRVRMGU-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)[nH]1 ZINC001392385980 924000390 /nfs/dbraw/zinc/00/03/90/924000390.db2.gz KBSRTVFVRLHUTE-SECBINFHSA-N 1 1 319.387 -1.885 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCCC2)C(N)=O ZINC001392392149 924005006 /nfs/dbraw/zinc/00/50/06/924005006.db2.gz UHFRFXSEXPUNGS-IUCAKERBSA-N 1 1 309.370 -1.157 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCCC2)C(N)=O ZINC001392392150 924006483 /nfs/dbraw/zinc/00/64/83/924006483.db2.gz UHFRFXSEXPUNGS-RKDXNWHRSA-N 1 1 309.370 -1.157 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)[nH]c1=O ZINC001392396830 924008410 /nfs/dbraw/zinc/00/84/10/924008410.db2.gz WNJFTEXNQFUTSG-QMMMGPOBSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001392398861 924010681 /nfs/dbraw/zinc/01/06/81/924010681.db2.gz PCEMTIKTPNNDOP-BDAKNGLRSA-N 1 1 311.346 -2.602 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 ZINC001392402471 924012476 /nfs/dbraw/zinc/01/24/76/924012476.db2.gz OYPNCLNXDAPSHY-JFGNBEQYSA-N 1 1 324.385 -1.717 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001392402808 924013062 /nfs/dbraw/zinc/01/30/62/924013062.db2.gz QAXWLEHLGZOUDB-GHMZBOCLSA-N 1 1 313.358 -1.141 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCc2cnn(C)n2)[nH]1 ZINC001392400269 924013869 /nfs/dbraw/zinc/01/38/69/924013869.db2.gz IPBCMTRCJQUGQQ-NSHDSACASA-N 1 1 322.373 -1.559 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC1CCCC1 ZINC001392412535 924018761 /nfs/dbraw/zinc/01/87/61/924018761.db2.gz WQOFTCODEJWKAY-GXSJLCMTSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC1CCCC1 ZINC001392412535 924018772 /nfs/dbraw/zinc/01/87/72/924018772.db2.gz WQOFTCODEJWKAY-GXSJLCMTSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccnnc1)c1nnnn1C ZINC001392411156 924019498 /nfs/dbraw/zinc/01/94/98/924019498.db2.gz YSBFOJMQDLQYIA-PSASIEDQSA-N 1 1 306.330 -1.558 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cscn1 ZINC001392410811 924019878 /nfs/dbraw/zinc/01/98/78/924019878.db2.gz RWMGDPVGZMNQHD-SECBINFHSA-N 1 1 311.371 -1.524 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cncn1C ZINC001392421494 924022972 /nfs/dbraw/zinc/02/29/72/924022972.db2.gz JWRVUORTRABMOS-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001392422297 924023218 /nfs/dbraw/zinc/02/32/18/924023218.db2.gz HWBPQYAMDUTEDN-VXGBXAGGSA-N 1 1 313.358 -1.643 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001392422297 924023235 /nfs/dbraw/zinc/02/32/35/924023235.db2.gz HWBPQYAMDUTEDN-VXGBXAGGSA-N 1 1 313.358 -1.643 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)[C@H]1CCCS1(=O)=O ZINC001392417666 924024133 /nfs/dbraw/zinc/02/41/33/924024133.db2.gz CSMIYJOZFRJIEI-GHMZBOCLSA-N 1 1 317.367 -1.182 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001392420162 924024828 /nfs/dbraw/zinc/02/48/28/924024828.db2.gz NOBKANKYVJMAPM-NXEZZACHSA-N 1 1 322.373 -1.388 20 0 DAADMO CCc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001392432857 924030160 /nfs/dbraw/zinc/03/01/60/924030160.db2.gz ZLLVQXSHJUCBOG-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001392452766 924032838 /nfs/dbraw/zinc/03/28/38/924032838.db2.gz KFDVVIZXJUYKAS-BBBLOLIVSA-N 1 1 309.374 -1.169 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001392479957 924036381 /nfs/dbraw/zinc/03/63/81/924036381.db2.gz LGNRNTXKOXMEPP-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001392492696 924040062 /nfs/dbraw/zinc/04/00/62/924040062.db2.gz PQWJSCVAVNONDR-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001392519183 924042835 /nfs/dbraw/zinc/04/28/35/924042835.db2.gz CVIQJRKPKOSTTD-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)nn1 ZINC001392512614 924042956 /nfs/dbraw/zinc/04/29/56/924042956.db2.gz SCJBGMAXGRMEGK-SCZZXKLOSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)COCc1nncn1C ZINC001392520603 924043856 /nfs/dbraw/zinc/04/38/56/924043856.db2.gz RONNIGNINAZECA-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CNC(=O)C1CC1 ZINC001392547578 924044826 /nfs/dbraw/zinc/04/48/26/924044826.db2.gz MMPZPIJEZWSYTM-IUCAKERBSA-N 1 1 309.374 -1.108 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001392537013 924046145 /nfs/dbraw/zinc/04/61/45/924046145.db2.gz MUBGLPLFBXBSJV-MWLCHTKSSA-N 1 1 309.374 -1.185 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)Cn1cncn1 ZINC001392533676 924046658 /nfs/dbraw/zinc/04/66/58/924046658.db2.gz ZIEVMSGLUGPRIE-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(CC2CC2)nn1)NC(=O)Cn1ncnn1 ZINC001392562158 924047953 /nfs/dbraw/zinc/04/79/53/924047953.db2.gz RYESUKZZGGIQRD-JTQLQIEISA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CCS(C)(=O)=O ZINC001392569363 924048393 /nfs/dbraw/zinc/04/83/93/924048393.db2.gz GOKKPDOAYODSIR-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001392567100 924048967 /nfs/dbraw/zinc/04/89/67/924048967.db2.gz HNACTONKCMEHLY-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001392584602 924051122 /nfs/dbraw/zinc/05/11/22/924051122.db2.gz HZQKBRKTWQFPRG-TVQRCGJNSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001392587787 924052335 /nfs/dbraw/zinc/05/23/35/924052335.db2.gz FTAJGZFZIDRQFQ-NSHDSACASA-N 1 1 319.369 -1.025 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001392579853 924053098 /nfs/dbraw/zinc/05/30/98/924053098.db2.gz PEPIOHCRBUXSRO-QMMMGPOBSA-N 1 1 319.391 -2.537 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)c1ncn[nH]1 ZINC001392599822 924054613 /nfs/dbraw/zinc/05/46/13/924054613.db2.gz DCGVTQJVLSADRP-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)c1nc[nH]n1 ZINC001392599822 924054619 /nfs/dbraw/zinc/05/46/19/924054619.db2.gz DCGVTQJVLSADRP-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)Cc1nnc[nH]1 ZINC001392606437 924055409 /nfs/dbraw/zinc/05/54/09/924055409.db2.gz SVPAOBIXXGPXCN-WDEREUQCSA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001392611489 924055662 /nfs/dbraw/zinc/05/56/62/924055662.db2.gz HCXUJTMTVNSTBF-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001392642417 924057576 /nfs/dbraw/zinc/05/75/76/924057576.db2.gz RSNFTDCNQGSVHX-SNVBAGLBSA-N 1 1 309.374 -1.110 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392634547 924057719 /nfs/dbraw/zinc/05/77/19/924057719.db2.gz KBTZYBBNPRCXOZ-IUCAKERBSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001392634547 924057730 /nfs/dbraw/zinc/05/77/30/924057730.db2.gz KBTZYBBNPRCXOZ-IUCAKERBSA-N 1 1 315.374 -1.515 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001392633155 924057762 /nfs/dbraw/zinc/05/77/62/924057762.db2.gz BMEWTRNJPZKKLP-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001392633155 924057772 /nfs/dbraw/zinc/05/77/72/924057772.db2.gz BMEWTRNJPZKKLP-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001392633153 924058280 /nfs/dbraw/zinc/05/82/80/924058280.db2.gz BMEWTRNJPZKKLP-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cncn1 ZINC001392633153 924058294 /nfs/dbraw/zinc/05/82/94/924058294.db2.gz BMEWTRNJPZKKLP-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392641733 924058423 /nfs/dbraw/zinc/05/84/23/924058423.db2.gz IEPZGCJFRNHOGG-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001392625110 924058563 /nfs/dbraw/zinc/05/85/63/924058563.db2.gz UOJHQNIONKFRSI-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001392625110 924058569 /nfs/dbraw/zinc/05/85/69/924058569.db2.gz UOJHQNIONKFRSI-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001392627629 924059883 /nfs/dbraw/zinc/05/98/83/924059883.db2.gz HJVSLXJWRMTOOZ-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657843 924060742 /nfs/dbraw/zinc/06/07/42/924060742.db2.gz NSHJRDJHLREUKU-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001392657843 924060751 /nfs/dbraw/zinc/06/07/51/924060751.db2.gz NSHJRDJHLREUKU-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659458 924060822 /nfs/dbraw/zinc/06/08/22/924060822.db2.gz DIMVUAPHDKZHLA-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659458 924060832 /nfs/dbraw/zinc/06/08/32/924060832.db2.gz DIMVUAPHDKZHLA-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001392659847 924061009 /nfs/dbraw/zinc/06/10/09/924061009.db2.gz SHBVAPIHUGZEAY-JTQLQIEISA-N 1 1 310.420 -1.847 20 0 DAADMO C[C@H](C[N@H+](C)CCF)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001392657221 924061613 /nfs/dbraw/zinc/06/16/13/924061613.db2.gz DZJXIPJPPCHPFF-SNVBAGLBSA-N 1 1 300.334 -1.047 20 0 DAADMO C[C@H](C[N@@H+](C)CCF)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001392657221 924061628 /nfs/dbraw/zinc/06/16/28/924061628.db2.gz DZJXIPJPPCHPFF-SNVBAGLBSA-N 1 1 300.334 -1.047 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001392662521 924061690 /nfs/dbraw/zinc/06/16/90/924061690.db2.gz YHENYYAZNLWWKT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001392662521 924061701 /nfs/dbraw/zinc/06/17/01/924061701.db2.gz YHENYYAZNLWWKT-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001392659956 924062088 /nfs/dbraw/zinc/06/20/88/924062088.db2.gz WZBKMELFLBEQMV-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001392659956 924062098 /nfs/dbraw/zinc/06/20/98/924062098.db2.gz WZBKMELFLBEQMV-DTWKUNHWSA-N 1 1 302.331 -1.967 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001392655050 924062247 /nfs/dbraw/zinc/06/22/47/924062247.db2.gz DEUIJYZIRUBPRL-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001392655050 924062258 /nfs/dbraw/zinc/06/22/58/924062258.db2.gz DEUIJYZIRUBPRL-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001392662525 924062337 /nfs/dbraw/zinc/06/23/37/924062337.db2.gz YHENYYAZNLWWKT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001392662525 924062348 /nfs/dbraw/zinc/06/23/48/924062348.db2.gz YHENYYAZNLWWKT-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001392655148 924062656 /nfs/dbraw/zinc/06/26/56/924062656.db2.gz DOEWYIQIVCXBCL-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001392655148 924062666 /nfs/dbraw/zinc/06/26/66/924062666.db2.gz DOEWYIQIVCXBCL-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648609 924063211 /nfs/dbraw/zinc/06/32/11/924063211.db2.gz UWISWMMBYCTKIB-RKDXNWHRSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648609 924063222 /nfs/dbraw/zinc/06/32/22/924063222.db2.gz UWISWMMBYCTKIB-RKDXNWHRSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659453 924063485 /nfs/dbraw/zinc/06/34/85/924063485.db2.gz DIMVUAPHDKZHLA-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392659453 924063495 /nfs/dbraw/zinc/06/34/95/924063495.db2.gz DIMVUAPHDKZHLA-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001392659013 924063682 /nfs/dbraw/zinc/06/36/82/924063682.db2.gz HXILUFCXJNLPFM-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001392659013 924063695 /nfs/dbraw/zinc/06/36/95/924063695.db2.gz HXILUFCXJNLPFM-QMMMGPOBSA-N 1 1 324.341 -1.480 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392675340 924065525 /nfs/dbraw/zinc/06/55/25/924065525.db2.gz GOTRDLCVZZCQHX-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392675340 924065535 /nfs/dbraw/zinc/06/55/35/924065535.db2.gz GOTRDLCVZZCQHX-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO COc1nccc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001392680852 924065840 /nfs/dbraw/zinc/06/58/40/924065840.db2.gz YFNFCSIIXGOAJG-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1nccc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001392680852 924065852 /nfs/dbraw/zinc/06/58/52/924065852.db2.gz YFNFCSIIXGOAJG-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001392687083 924066119 /nfs/dbraw/zinc/06/61/19/924066119.db2.gz HUXMAQCHJPXRMR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001392687083 924066133 /nfs/dbraw/zinc/06/61/33/924066133.db2.gz HUXMAQCHJPXRMR-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392676748 924066261 /nfs/dbraw/zinc/06/62/61/924066261.db2.gz KAXIOASZVMKEEM-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392676748 924066269 /nfs/dbraw/zinc/06/62/69/924066269.db2.gz KAXIOASZVMKEEM-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001392690704 924066640 /nfs/dbraw/zinc/06/66/40/924066640.db2.gz QESPYRDDMGFUPF-NXEZZACHSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1COCCN1CC(F)F ZINC001392691607 924066776 /nfs/dbraw/zinc/06/67/76/924066776.db2.gz ZFAATKNJHYXWEW-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1COCCN1CC(F)F ZINC001392691607 924066789 /nfs/dbraw/zinc/06/67/89/924066789.db2.gz ZFAATKNJHYXWEW-UWVGGRQHSA-N 1 1 322.356 -1.126 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392675342 924067175 /nfs/dbraw/zinc/06/71/75/924067175.db2.gz GOTRDLCVZZCQHX-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392675342 924067191 /nfs/dbraw/zinc/06/71/91/924067191.db2.gz GOTRDLCVZZCQHX-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001392708342 924068353 /nfs/dbraw/zinc/06/83/53/924068353.db2.gz NDSMBTDCDGRTGQ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001392708342 924068360 /nfs/dbraw/zinc/06/83/60/924068360.db2.gz NDSMBTDCDGRTGQ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001392704302 924069813 /nfs/dbraw/zinc/06/98/13/924069813.db2.gz BLTQOVBMEZKZAN-WDEREUQCSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001392704302 924069823 /nfs/dbraw/zinc/06/98/23/924069823.db2.gz BLTQOVBMEZKZAN-WDEREUQCSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001392707285 924070229 /nfs/dbraw/zinc/07/02/29/924070229.db2.gz KTMGCLMDAUWDBS-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001392707285 924070234 /nfs/dbraw/zinc/07/02/34/924070234.db2.gz KTMGCLMDAUWDBS-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392715017 924070291 /nfs/dbraw/zinc/07/02/91/924070291.db2.gz VDOQDWFKYSLAFV-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cnccc1=O ZINC001392715017 924070300 /nfs/dbraw/zinc/07/03/00/924070300.db2.gz VDOQDWFKYSLAFV-VXGBXAGGSA-N 1 1 321.381 -1.042 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccnn1C ZINC001392730930 924071761 /nfs/dbraw/zinc/07/17/61/924071761.db2.gz FEXBBJUSYPXQAP-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccnn1C ZINC001392730930 924071776 /nfs/dbraw/zinc/07/17/76/924071776.db2.gz FEXBBJUSYPXQAP-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392728031 924072326 /nfs/dbraw/zinc/07/23/26/924072326.db2.gz FGEZAKPZGMEDSP-VHSXEESVSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392728031 924072331 /nfs/dbraw/zinc/07/23/31/924072331.db2.gz FGEZAKPZGMEDSP-VHSXEESVSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)Cn1cncn1 ZINC001392716516 924072779 /nfs/dbraw/zinc/07/27/79/924072779.db2.gz CRKUKLGOPUBTFL-STQMWFEESA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001392729210 924073100 /nfs/dbraw/zinc/07/31/00/924073100.db2.gz PTEZQGPRABWKFS-VHSXEESVSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001392729210 924073110 /nfs/dbraw/zinc/07/31/10/924073110.db2.gz PTEZQGPRABWKFS-VHSXEESVSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725751 924073383 /nfs/dbraw/zinc/07/33/83/924073383.db2.gz ISRBNMPJAVYVMO-WCBMZHEXSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725751 924073396 /nfs/dbraw/zinc/07/33/96/924073396.db2.gz ISRBNMPJAVYVMO-WCBMZHEXSA-N 1 1 323.357 -2.298 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](NC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001392756201 924075109 /nfs/dbraw/zinc/07/51/09/924075109.db2.gz BSJYVDVNJSEMFN-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001392776141 924075947 /nfs/dbraw/zinc/07/59/47/924075947.db2.gz OSZLCNPECUFBBM-UWVGGRQHSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001392776140 924076102 /nfs/dbraw/zinc/07/61/02/924076102.db2.gz OSZLCNPECUFBBM-NXEZZACHSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001392777101 924077546 /nfs/dbraw/zinc/07/75/46/924077546.db2.gz RVFNFHCHQPGYQK-DTWKUNHWSA-N 1 1 309.330 -1.697 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001392788312 924077657 /nfs/dbraw/zinc/07/76/57/924077657.db2.gz HPZNXCBXNBTALM-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001392788312 924077672 /nfs/dbraw/zinc/07/76/72/924077672.db2.gz HPZNXCBXNBTALM-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001392781508 924077973 /nfs/dbraw/zinc/07/79/73/924077973.db2.gz NGKYAPXFSJOJNP-LPEHRKFASA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001392781508 924077986 /nfs/dbraw/zinc/07/79/86/924077986.db2.gz NGKYAPXFSJOJNP-LPEHRKFASA-N 1 1 315.374 -2.005 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001392800688 924079327 /nfs/dbraw/zinc/07/93/27/924079327.db2.gz VTXMEDHXWVRYQC-NEPJUHHUSA-N 1 1 321.385 -1.036 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1)OC ZINC001392828901 924082419 /nfs/dbraw/zinc/08/24/19/924082419.db2.gz AJCAGFWXGJVVGG-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001392854254 924086683 /nfs/dbraw/zinc/08/66/83/924086683.db2.gz NVKGNYGKQZUUJD-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001392854254 924086695 /nfs/dbraw/zinc/08/66/95/924086695.db2.gz NVKGNYGKQZUUJD-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001392842551 924086865 /nfs/dbraw/zinc/08/68/65/924086865.db2.gz QFGSYYUOULSDIV-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1 ZINC001392853954 924087083 /nfs/dbraw/zinc/08/70/83/924087083.db2.gz DRRGHJWEDMQNOC-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)Cc2nc[nH]n2)C1 ZINC001392853954 924087096 /nfs/dbraw/zinc/08/70/96/924087096.db2.gz DRRGHJWEDMQNOC-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1CS(=O)(=O)C1 ZINC001392840736 924087156 /nfs/dbraw/zinc/08/71/56/924087156.db2.gz WSBKXTBJGGHGJZ-UWVGGRQHSA-N 1 1 317.411 -1.396 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001392856984 924087372 /nfs/dbraw/zinc/08/73/72/924087372.db2.gz ANRPKTMTVYIYHT-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001392856984 924087383 /nfs/dbraw/zinc/08/73/83/924087383.db2.gz ANRPKTMTVYIYHT-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001392869258 924089429 /nfs/dbraw/zinc/08/94/29/924089429.db2.gz BVHUVQKGJWYLEG-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001392866669 924090875 /nfs/dbraw/zinc/09/08/75/924090875.db2.gz JKIYWNJGFXFZLI-NWDGAFQWSA-N 1 1 324.385 -1.507 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)N1CCOCC1 ZINC001392911253 924094849 /nfs/dbraw/zinc/09/48/49/924094849.db2.gz DIIFDOLHWSTBTA-UHFFFAOYSA-N 1 1 308.342 -1.485 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CN(C)C(=O)N3)CC2)nn1 ZINC001392928220 924098748 /nfs/dbraw/zinc/09/87/48/924098748.db2.gz XRPPZLINWMIRQS-SNVBAGLBSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CCCC(N)=O)CC2)nc1=O ZINC001392959292 924101183 /nfs/dbraw/zinc/10/11/83/924101183.db2.gz JKEGPJJBCDBKDL-UHFFFAOYSA-N 1 1 310.358 -1.498 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001392951771 924102269 /nfs/dbraw/zinc/10/22/69/924102269.db2.gz UEXYEGLMLMZUQY-NSHDSACASA-N 1 1 319.369 -1.157 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001392988932 924104499 /nfs/dbraw/zinc/10/44/99/924104499.db2.gz KWEYYWLSVVBCIU-ZDUSSCGKSA-N 1 1 319.427 -1.158 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@]2(CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001392988407 924104684 /nfs/dbraw/zinc/10/46/84/924104684.db2.gz VMTABIZALNYQFD-YGRLFVJLSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392986531 924105901 /nfs/dbraw/zinc/10/59/01/924105901.db2.gz ILYBGAPRNXOSLQ-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001393010043 924106997 /nfs/dbraw/zinc/10/69/97/924106997.db2.gz ITGRURCZPKJBPK-AAEUAGOBSA-N 1 1 323.397 -1.102 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001393005746 924107201 /nfs/dbraw/zinc/10/72/01/924107201.db2.gz YJUJWXBIJOEQNT-SNVBAGLBSA-N 1 1 322.369 -1.082 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(CC(=O)NC(N)=O)C1 ZINC001393003848 924107812 /nfs/dbraw/zinc/10/78/12/924107812.db2.gz YEBMLLJURJNADJ-UHFFFAOYSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001393024557 924110770 /nfs/dbraw/zinc/11/07/70/924110770.db2.gz AXZFZDPCWDQTBY-GXSJLCMTSA-N 1 1 309.374 -1.185 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CCNC(N)=O)n1 ZINC001393049336 924114199 /nfs/dbraw/zinc/11/41/99/924114199.db2.gz AORVIJKWEMRVFS-NSHDSACASA-N 1 1 309.374 -1.046 20 0 DAADMO CCC(=O)NCC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001393096047 924116628 /nfs/dbraw/zinc/11/66/28/924116628.db2.gz RNCWLIKHTBWVOK-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001393110401 924116739 /nfs/dbraw/zinc/11/67/39/924116739.db2.gz NPNHSRXITOEUGO-OAHLLOKOSA-N 1 1 324.381 -1.226 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001393092801 924117450 /nfs/dbraw/zinc/11/74/50/924117450.db2.gz FXJGUBALTNQGPU-AWEZNQCLSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001393109735 924117528 /nfs/dbraw/zinc/11/75/28/924117528.db2.gz IYGSTMKEVYUSMJ-UWVGGRQHSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001393109735 924117535 /nfs/dbraw/zinc/11/75/35/924117535.db2.gz IYGSTMKEVYUSMJ-UWVGGRQHSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393102444 924117756 /nfs/dbraw/zinc/11/77/56/924117756.db2.gz KYSBMJHIPNXMMQ-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001393107673 924117804 /nfs/dbraw/zinc/11/78/04/924117804.db2.gz ZZDFNYNRSGPJEK-GWCFXTLKSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001393113994 924118761 /nfs/dbraw/zinc/11/87/61/924118761.db2.gz CTVOXCAANAVMFW-ZDUSSCGKSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001393113994 924118771 /nfs/dbraw/zinc/11/87/71/924118771.db2.gz CTVOXCAANAVMFW-ZDUSSCGKSA-N 1 1 310.358 -1.962 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117053 924118926 /nfs/dbraw/zinc/11/89/26/924118926.db2.gz AANYHIBJAIATFF-YGRLFVJLSA-N 1 1 324.385 -1.214 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001393117053 924118935 /nfs/dbraw/zinc/11/89/35/924118935.db2.gz AANYHIBJAIATFF-YGRLFVJLSA-N 1 1 324.385 -1.214 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001393118280 924119231 /nfs/dbraw/zinc/11/92/31/924119231.db2.gz JIZDGFXICMEYNG-NSHDSACASA-N 1 1 308.404 -2.045 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)CCn3cnnn3)C2)C1=O ZINC001393117899 924120245 /nfs/dbraw/zinc/12/02/45/924120245.db2.gz BQYDRIKZCVALKJ-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393233262 924125086 /nfs/dbraw/zinc/12/50/86/924125086.db2.gz DFJPMIGZWDBQEP-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)OC)C1 ZINC001393237429 924125100 /nfs/dbraw/zinc/12/51/00/924125100.db2.gz OSIRUXFRYJELQQ-TVQRCGJNSA-N 1 1 316.358 -1.970 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)OC)C1 ZINC001393237429 924125103 /nfs/dbraw/zinc/12/51/03/924125103.db2.gz OSIRUXFRYJELQQ-TVQRCGJNSA-N 1 1 316.358 -1.970 20 0 DAADMO CCO[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393236116 924125411 /nfs/dbraw/zinc/12/54/11/924125411.db2.gz MHYKZHNAJAXSDH-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CCO[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393236116 924125420 /nfs/dbraw/zinc/12/54/20/924125420.db2.gz MHYKZHNAJAXSDH-TVQRCGJNSA-N 1 1 316.358 -1.841 20 0 DAADMO CCO[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393236113 924125488 /nfs/dbraw/zinc/12/54/88/924125488.db2.gz MHYKZHNAJAXSDH-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO CCO[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393236113 924125498 /nfs/dbraw/zinc/12/54/98/924125498.db2.gz MHYKZHNAJAXSDH-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n(C)n1 ZINC001393234685 924125615 /nfs/dbraw/zinc/12/56/15/924125615.db2.gz KIHRFQYPKJJXMX-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n(C)n1 ZINC001393234685 924125628 /nfs/dbraw/zinc/12/56/28/924125628.db2.gz KIHRFQYPKJJXMX-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001393236929 924126448 /nfs/dbraw/zinc/12/64/48/924126448.db2.gz IYYMEUHSKOABQK-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001393235385 924126477 /nfs/dbraw/zinc/12/64/77/924126477.db2.gz BRNRGOJNHNBDOI-AWEZNQCLSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001393235385 924126488 /nfs/dbraw/zinc/12/64/88/924126488.db2.gz BRNRGOJNHNBDOI-AWEZNQCLSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001393236245 924127250 /nfs/dbraw/zinc/12/72/50/924127250.db2.gz CXSPUHWEEKTTPI-TZMCWYRMSA-N 1 1 324.385 -1.205 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001393235771 924127557 /nfs/dbraw/zinc/12/75/57/924127557.db2.gz BBVPNIGISFCLTL-HZMBPMFUSA-N 1 1 324.385 -1.446 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001393235390 924127624 /nfs/dbraw/zinc/12/76/24/924127624.db2.gz BRNRGOJNHNBDOI-CQSZACIVSA-N 1 1 301.387 -1.042 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001393235390 924127631 /nfs/dbraw/zinc/12/76/31/924127631.db2.gz BRNRGOJNHNBDOI-CQSZACIVSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nc2C)C1 ZINC001393236128 924127666 /nfs/dbraw/zinc/12/76/66/924127666.db2.gz IFONWYPKYNZINU-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nc2C)C1 ZINC001393236128 924127671 /nfs/dbraw/zinc/12/76/71/924127671.db2.gz IFONWYPKYNZINU-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001393241200 924128676 /nfs/dbraw/zinc/12/86/76/924128676.db2.gz UFPJYUZOCASDLA-RISCZKNCSA-N 1 1 310.354 -1.350 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001393243034 924128982 /nfs/dbraw/zinc/12/89/82/924128982.db2.gz WZNGMUJXNCMRNT-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001393243034 924128987 /nfs/dbraw/zinc/12/89/87/924128987.db2.gz WZNGMUJXNCMRNT-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393240403 924129121 /nfs/dbraw/zinc/12/91/21/924129121.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 1 1 314.386 -2.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001393240403 924129128 /nfs/dbraw/zinc/12/91/28/924129128.db2.gz HCVGHVCDGSTEEG-FZMZJTMJSA-N 1 1 314.386 -2.384 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001393243785 924129323 /nfs/dbraw/zinc/12/93/23/924129323.db2.gz SMRSFRGHKMNODP-VEPLAOFISA-N 1 1 300.750 -1.021 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393241704 924130043 /nfs/dbraw/zinc/13/00/43/924130043.db2.gz XVOBMXXSSNJNKR-NOZJJQNGSA-N 1 1 314.342 -2.216 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393241704 924130052 /nfs/dbraw/zinc/13/00/52/924130052.db2.gz XVOBMXXSSNJNKR-NOZJJQNGSA-N 1 1 314.342 -2.216 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001393242621 924130469 /nfs/dbraw/zinc/13/04/69/924130469.db2.gz VTCMDKVIBTYIKV-RISCZKNCSA-N 1 1 312.370 -1.406 20 0 DAADMO CS[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393238560 924130642 /nfs/dbraw/zinc/13/06/42/924130642.db2.gz RPRYFHWYFGHYNX-QPUJVOFHSA-N 1 1 318.399 -1.514 20 0 DAADMO CS[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393238560 924130656 /nfs/dbraw/zinc/13/06/56/924130656.db2.gz RPRYFHWYFGHYNX-QPUJVOFHSA-N 1 1 318.399 -1.514 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001393243040 924130689 /nfs/dbraw/zinc/13/06/89/924130689.db2.gz APNRCZRVHRFJGU-BXUZGUMPSA-N 1 1 304.387 -1.292 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001393239594 924131062 /nfs/dbraw/zinc/13/10/62/924131062.db2.gz SOTRXDMXRZJILU-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001393243286 924130942 /nfs/dbraw/zinc/13/09/42/924130942.db2.gz RARGQKXYOWROBF-SWLSCSKDSA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001393243041 924131008 /nfs/dbraw/zinc/13/10/08/924131008.db2.gz WZNGMUJXNCMRNT-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001393243041 924131014 /nfs/dbraw/zinc/13/10/14/924131014.db2.gz WZNGMUJXNCMRNT-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001393239594 924131072 /nfs/dbraw/zinc/13/10/72/924131072.db2.gz SOTRXDMXRZJILU-ZDUSSCGKSA-N 1 1 310.358 -2.033 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001393248772 924132350 /nfs/dbraw/zinc/13/23/50/924132350.db2.gz FZVATQJZVVESKY-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001393248772 924132375 /nfs/dbraw/zinc/13/23/75/924132375.db2.gz FZVATQJZVVESKY-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393248464 924132480 /nfs/dbraw/zinc/13/24/80/924132480.db2.gz FDTITXADSJCBNR-ZDUSSCGKSA-N 1 1 303.359 -2.316 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2ccnc2C1 ZINC001393249322 924133231 /nfs/dbraw/zinc/13/32/31/924133231.db2.gz QOAQPMNOKKJCGP-WFASDCNBSA-N 1 1 308.382 -1.009 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393247266 924133574 /nfs/dbraw/zinc/13/35/74/924133574.db2.gz BOWIKOYERHQIDR-HZMBPMFUSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001393247266 924133584 /nfs/dbraw/zinc/13/35/84/924133584.db2.gz BOWIKOYERHQIDR-HZMBPMFUSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393245869 924133959 /nfs/dbraw/zinc/13/39/59/924133959.db2.gz ACNKCUXOMCBGJT-SMDDNHRTSA-N 1 1 323.353 -1.419 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001393245869 924133967 /nfs/dbraw/zinc/13/39/67/924133967.db2.gz ACNKCUXOMCBGJT-SMDDNHRTSA-N 1 1 323.353 -1.419 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244665 924134705 /nfs/dbraw/zinc/13/47/05/924134705.db2.gz UZMAAPCLPRIKOR-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2)C1 ZINC001393244665 924134709 /nfs/dbraw/zinc/13/47/09/924134709.db2.gz UZMAAPCLPRIKOR-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001393255491 924135569 /nfs/dbraw/zinc/13/55/69/924135569.db2.gz RVACKVXVOKDRIK-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)c1 ZINC001393255491 924135579 /nfs/dbraw/zinc/13/55/79/924135579.db2.gz RVACKVXVOKDRIK-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ncc[nH]1 ZINC001393249760 924135895 /nfs/dbraw/zinc/13/58/95/924135895.db2.gz HWPUEMIMXCFNIP-CQSZACIVSA-N 1 1 322.369 -1.399 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001393249569 924135949 /nfs/dbraw/zinc/13/59/49/924135949.db2.gz HRJSFMODDJMARR-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001393249569 924135956 /nfs/dbraw/zinc/13/59/56/924135956.db2.gz HRJSFMODDJMARR-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393251599 924136046 /nfs/dbraw/zinc/13/60/46/924136046.db2.gz SJDNZOCLVRDBLS-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393251599 924136055 /nfs/dbraw/zinc/13/60/55/924136055.db2.gz SJDNZOCLVRDBLS-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCF)C1)C1CS(=O)(=O)C1 ZINC001393251284 924136530 /nfs/dbraw/zinc/13/65/30/924136530.db2.gz RYKVCGGWJBJQFK-GFCCVEGCSA-N 1 1 308.375 -1.056 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)C1CS(=O)(=O)C1 ZINC001393251284 924136538 /nfs/dbraw/zinc/13/65/38/924136538.db2.gz RYKVCGGWJBJQFK-GFCCVEGCSA-N 1 1 308.375 -1.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393255363 924137207 /nfs/dbraw/zinc/13/72/07/924137207.db2.gz RLUCMTCIMIKXAM-SWLSCSKDSA-N 1 1 316.398 -1.148 20 0 DAADMO CC1(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001393255572 924137574 /nfs/dbraw/zinc/13/75/74/924137574.db2.gz IIPARDWJHITGEV-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO CC1(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001393255572 924137578 /nfs/dbraw/zinc/13/75/78/924137578.db2.gz IIPARDWJHITGEV-AWEZNQCLSA-N 1 1 312.370 -1.076 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001393249494 924137667 /nfs/dbraw/zinc/13/76/67/924137667.db2.gz VQYDTEFCAYXNTE-BXUZGUMPSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001393255499 924137782 /nfs/dbraw/zinc/13/77/82/924137782.db2.gz RVACKVXVOKDRIK-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001393255499 924137784 /nfs/dbraw/zinc/13/77/84/924137784.db2.gz RVACKVXVOKDRIK-FZMZJTMJSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393249887 924138053 /nfs/dbraw/zinc/13/80/53/924138053.db2.gz NHTKXULJMKYCBW-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393249887 924138063 /nfs/dbraw/zinc/13/80/63/924138063.db2.gz NHTKXULJMKYCBW-GFCCVEGCSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393249892 924138540 /nfs/dbraw/zinc/13/85/40/924138540.db2.gz NHTKXULJMKYCBW-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393249892 924138555 /nfs/dbraw/zinc/13/85/55/924138555.db2.gz NHTKXULJMKYCBW-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393255869 924139556 /nfs/dbraw/zinc/13/95/56/924139556.db2.gz QTZCMBBRASBXMT-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1ncc(C2CC2)c1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393255869 924139567 /nfs/dbraw/zinc/13/95/67/924139567.db2.gz QTZCMBBRASBXMT-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393262372 924139718 /nfs/dbraw/zinc/13/97/18/924139718.db2.gz LMTPEOQHHSMEOD-GWCFXTLKSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393255652 924139822 /nfs/dbraw/zinc/13/98/22/924139822.db2.gz MCMUWVNCUSLXTA-ZWNOBZJWSA-N 1 1 312.374 -1.462 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001393262379 924140626 /nfs/dbraw/zinc/14/06/26/924140626.db2.gz LMTPEOQHHSMEOD-ZWNOBZJWSA-N 1 1 300.359 -1.791 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)nn1C ZINC001393260074 924140707 /nfs/dbraw/zinc/14/07/07/924140707.db2.gz LQCNZOPFINEGKB-AWEZNQCLSA-N 1 1 312.370 -1.022 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393255743 924140778 /nfs/dbraw/zinc/14/07/78/924140778.db2.gz SHYCBIQYJHWNEE-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001393255743 924140784 /nfs/dbraw/zinc/14/07/84/924140784.db2.gz SHYCBIQYJHWNEE-ZDUSSCGKSA-N 1 1 310.358 -1.930 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393255747 924140978 /nfs/dbraw/zinc/14/09/78/924140978.db2.gz DDKKUSDUTBVYPC-DGCLKSJQSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001393255747 924140987 /nfs/dbraw/zinc/14/09/87/924140987.db2.gz DDKKUSDUTBVYPC-DGCLKSJQSA-N 1 1 320.411 -1.644 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257529 924141043 /nfs/dbraw/zinc/14/10/43/924141043.db2.gz VXWDABXBCZLOEL-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257529 924141051 /nfs/dbraw/zinc/14/10/51/924141051.db2.gz VXWDABXBCZLOEL-HZMBPMFUSA-N 1 1 309.370 -1.279 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](C)O)C2)nn1C ZINC001393261251 924141577 /nfs/dbraw/zinc/14/15/77/924141577.db2.gz NKJRJXFZOAYJIE-HZMBPMFUSA-N 1 1 312.370 -1.024 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393262375 924141813 /nfs/dbraw/zinc/14/18/13/924141813.db2.gz LMTPEOQHHSMEOD-GXFFZTMASA-N 1 1 300.359 -1.791 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393256962 924141913 /nfs/dbraw/zinc/14/19/13/924141913.db2.gz UEZFEKNOBIQWMA-PRHODGIISA-N 1 1 300.315 -2.606 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393256962 924141921 /nfs/dbraw/zinc/14/19/21/924141921.db2.gz UEZFEKNOBIQWMA-PRHODGIISA-N 1 1 300.315 -2.606 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393270264 924143283 /nfs/dbraw/zinc/14/32/83/924143283.db2.gz DFPBSWVCZSDKFX-TVQRCGJNSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270264 924143293 /nfs/dbraw/zinc/14/32/93/924143293.db2.gz DFPBSWVCZSDKFX-TVQRCGJNSA-N 1 1 316.333 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001393270264 924143304 /nfs/dbraw/zinc/14/33/04/924143304.db2.gz DFPBSWVCZSDKFX-TVQRCGJNSA-N 1 1 316.333 -1.277 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001393272881 924143550 /nfs/dbraw/zinc/14/35/50/924143550.db2.gz BXYCIKRIXHLUAD-MFKMUULPSA-N 1 1 310.358 -1.754 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393266741 924144687 /nfs/dbraw/zinc/14/46/87/924144687.db2.gz VZELMZUYQPXIRX-TVQRCGJNSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001393266741 924144695 /nfs/dbraw/zinc/14/46/95/924144695.db2.gz VZELMZUYQPXIRX-TVQRCGJNSA-N 1 1 313.358 -2.691 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393270793 924144769 /nfs/dbraw/zinc/14/47/69/924144769.db2.gz HJZJYUQJPTVRSL-BXUZGUMPSA-N 1 1 309.370 -1.231 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393268089 924144808 /nfs/dbraw/zinc/14/48/08/924144808.db2.gz JKEDRNNZXKPANS-HNNXBMFYSA-N 1 1 324.381 -1.431 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCNC(N)=O ZINC001393270353 924145581 /nfs/dbraw/zinc/14/55/81/924145581.db2.gz BRNWVFUGHKRGDG-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001393272903 924145662 /nfs/dbraw/zinc/14/56/62/924145662.db2.gz CDWYKPPLGZHJIL-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001393272903 924145672 /nfs/dbraw/zinc/14/56/72/924145672.db2.gz CDWYKPPLGZHJIL-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393276180 924146954 /nfs/dbraw/zinc/14/69/54/924146954.db2.gz LFSKNHCNAJDCCZ-ZDUSSCGKSA-N 1 1 315.374 -2.314 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393276180 924146961 /nfs/dbraw/zinc/14/69/61/924146961.db2.gz LFSKNHCNAJDCCZ-ZDUSSCGKSA-N 1 1 315.374 -2.314 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1)NC1CC1 ZINC001393277440 924147787 /nfs/dbraw/zinc/14/77/87/924147787.db2.gz LILFLALKDQSNNX-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncccn2)C1)NC1CC1 ZINC001393277440 924147792 /nfs/dbraw/zinc/14/77/92/924147792.db2.gz LILFLALKDQSNNX-OAHLLOKOSA-N 1 1 319.365 -1.078 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001393274817 924147987 /nfs/dbraw/zinc/14/79/87/924147987.db2.gz YRUDPSXOFXBXOS-JSGCOSHPSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393277011 924148362 /nfs/dbraw/zinc/14/83/62/924148362.db2.gz AFKHGTNAVILBRV-BLLLJJGKSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001393274830 924148440 /nfs/dbraw/zinc/14/84/40/924148440.db2.gz YRUDPSXOFXBXOS-TZMCWYRMSA-N 1 1 311.386 -1.008 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001393278480 924148621 /nfs/dbraw/zinc/14/86/21/924148621.db2.gz RNUBEIONUDJABQ-IAQYHMDHSA-N 1 1 322.365 -1.027 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001393278484 924148729 /nfs/dbraw/zinc/14/87/29/924148729.db2.gz RNUBEIONUDJABQ-NHYWBVRUSA-N 1 1 322.365 -1.027 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393276373 924149029 /nfs/dbraw/zinc/14/90/29/924149029.db2.gz MULDACVDFPGUCS-MFKMUULPSA-N 1 1 310.358 -2.034 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001393279705 924151116 /nfs/dbraw/zinc/15/11/16/924151116.db2.gz FDLKKWYRHWVXFT-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nccn3c2)C1 ZINC001393279705 924151125 /nfs/dbraw/zinc/15/11/25/924151125.db2.gz FDLKKWYRHWVXFT-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCCS1(=O)=O ZINC001393283439 924151386 /nfs/dbraw/zinc/15/13/86/924151386.db2.gz QTBBBMJGYNVIKW-PWSUYJOCSA-N 1 1 306.384 -1.891 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCCS1(=O)=O ZINC001393283439 924151395 /nfs/dbraw/zinc/15/13/95/924151395.db2.gz QTBBBMJGYNVIKW-PWSUYJOCSA-N 1 1 306.384 -1.891 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393281479 924151735 /nfs/dbraw/zinc/15/17/35/924151735.db2.gz MZPTWAJHSPECNJ-CQSZACIVSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)CC2 ZINC001393280176 924151417 /nfs/dbraw/zinc/15/14/17/924151417.db2.gz JYDDNEIBOAXDNG-IUODEOHRSA-N 1 1 323.397 -1.306 20 0 DAADMO CC[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393283302 924151862 /nfs/dbraw/zinc/15/18/62/924151862.db2.gz YJUAPLLKYOZBEX-RISCZKNCSA-N 1 1 300.403 -1.245 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001393279015 924152021 /nfs/dbraw/zinc/15/20/21/924152021.db2.gz RVFYRDALEGIJDL-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393282503 924152051 /nfs/dbraw/zinc/15/20/51/924152051.db2.gz YEUWLCPZEZEVOM-CYBMUJFWSA-N 1 1 313.333 -1.196 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393282503 924152056 /nfs/dbraw/zinc/15/20/56/924152056.db2.gz YEUWLCPZEZEVOM-CYBMUJFWSA-N 1 1 313.333 -1.196 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001393279399 924153062 /nfs/dbraw/zinc/15/30/62/924153062.db2.gz ITXWUYITCQIPBI-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001393279399 924153072 /nfs/dbraw/zinc/15/30/72/924153072.db2.gz ITXWUYITCQIPBI-WFASDCNBSA-N 1 1 321.381 -1.042 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001393281123 924153291 /nfs/dbraw/zinc/15/32/91/924153291.db2.gz WBVZCJZPAYMVPP-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001393281123 924153300 /nfs/dbraw/zinc/15/33/00/924153300.db2.gz WBVZCJZPAYMVPP-FZMZJTMJSA-N 1 1 317.386 -1.663 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)nn1 ZINC001393283382 924153332 /nfs/dbraw/zinc/15/33/32/924153332.db2.gz QRAKDYQBLJDSGZ-LBPRGKRZSA-N 1 1 314.321 -2.101 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)nn1 ZINC001393283382 924153346 /nfs/dbraw/zinc/15/33/46/924153346.db2.gz QRAKDYQBLJDSGZ-LBPRGKRZSA-N 1 1 314.321 -2.101 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393282512 924153981 /nfs/dbraw/zinc/15/39/81/924153981.db2.gz YEUWLCPZEZEVOM-ZDUSSCGKSA-N 1 1 313.333 -1.196 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001393282512 924153987 /nfs/dbraw/zinc/15/39/87/924153987.db2.gz YEUWLCPZEZEVOM-ZDUSSCGKSA-N 1 1 313.333 -1.196 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)cn1 ZINC001393285641 924154736 /nfs/dbraw/zinc/15/47/36/924154736.db2.gz QJYPSJWRWQYBTO-OAHLLOKOSA-N 1 1 323.397 -1.256 20 0 DAADMO CCn1cc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)cn1 ZINC001393285641 924154745 /nfs/dbraw/zinc/15/47/45/924154745.db2.gz QJYPSJWRWQYBTO-OAHLLOKOSA-N 1 1 323.397 -1.256 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001393289653 924154889 /nfs/dbraw/zinc/15/48/89/924154889.db2.gz JDXUZLIUWQDZCK-OCCSQVGLSA-N 1 1 311.382 -1.288 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001393288700 924155076 /nfs/dbraw/zinc/15/50/76/924155076.db2.gz DWENEJKLNASJQI-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393289822 924155129 /nfs/dbraw/zinc/15/51/29/924155129.db2.gz GXXPOLGNEVALDL-HNNXBMFYSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393289822 924155138 /nfs/dbraw/zinc/15/51/38/924155138.db2.gz GXXPOLGNEVALDL-HNNXBMFYSA-N 1 1 321.381 -1.332 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001393289629 924155313 /nfs/dbraw/zinc/15/53/13/924155313.db2.gz JDXUZLIUWQDZCK-GXTWGEPZSA-N 1 1 311.382 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)OC)C1 ZINC001393283596 924156631 /nfs/dbraw/zinc/15/66/31/924156631.db2.gz RIYCIIWTFYGLPR-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393283565 924156930 /nfs/dbraw/zinc/15/69/30/924156930.db2.gz RDXAQHNWPPZHFI-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393283565 924156939 /nfs/dbraw/zinc/15/69/39/924156939.db2.gz RDXAQHNWPPZHFI-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001393283600 924157069 /nfs/dbraw/zinc/15/70/69/924157069.db2.gz RIYCIIWTFYGLPR-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290108 924159672 /nfs/dbraw/zinc/15/96/72/924159672.db2.gz HWDVIEYAPJEORD-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290108 924159684 /nfs/dbraw/zinc/15/96/84/924159684.db2.gz HWDVIEYAPJEORD-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393293989 924159849 /nfs/dbraw/zinc/15/98/49/924159849.db2.gz OOWPSTNGQCWABQ-FZMZJTMJSA-N 1 1 314.386 -1.535 20 0 DAADMO CCN1CC[C@@H](N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001393304682 924163764 /nfs/dbraw/zinc/16/37/64/924163764.db2.gz QTAAEMPQTHWESA-CHWSQXEVSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001393303682 924164609 /nfs/dbraw/zinc/16/46/09/924164609.db2.gz KRDLGXHLWFBEMY-MNOVXSKESA-N 1 1 312.370 -2.632 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001393303682 924164618 /nfs/dbraw/zinc/16/46/18/924164618.db2.gz KRDLGXHLWFBEMY-MNOVXSKESA-N 1 1 312.370 -2.632 20 0 DAADMO CC[C@H](CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001393305879 924166272 /nfs/dbraw/zinc/16/62/72/924166272.db2.gz SHQYSASHILGUIP-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@H](CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001393305879 924166281 /nfs/dbraw/zinc/16/62/81/924166281.db2.gz SHQYSASHILGUIP-OLZOCXBDSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@@H](CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)OC ZINC001393305882 924166611 /nfs/dbraw/zinc/16/66/11/924166611.db2.gz SHQYSASHILGUIP-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@@H](CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)OC ZINC001393305882 924166617 /nfs/dbraw/zinc/16/66/17/924166617.db2.gz SHQYSASHILGUIP-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393314007 924168903 /nfs/dbraw/zinc/16/89/03/924168903.db2.gz GFLKLOSOUKLUSU-UHFFFAOYSA-N 1 1 307.416 -1.303 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001393314716 924169283 /nfs/dbraw/zinc/16/92/83/924169283.db2.gz INTYLIYPXVFOBE-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001393334268 924178348 /nfs/dbraw/zinc/17/83/48/924178348.db2.gz WOYQPZOKCDXHGN-ZDUSSCGKSA-N 1 1 322.413 -1.038 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)C[NH+](CC[C@@H]3CCOC3)C2)n1 ZINC001393333088 924178486 /nfs/dbraw/zinc/17/84/86/924178486.db2.gz NVBMRGOPCABOQU-SNVBAGLBSA-N 1 1 310.358 -1.587 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334918 924179675 /nfs/dbraw/zinc/17/96/75/924179675.db2.gz PUNGZSJOMGPMAY-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334918 924179682 /nfs/dbraw/zinc/17/96/82/924179682.db2.gz PUNGZSJOMGPMAY-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001393335212 924182097 /nfs/dbraw/zinc/18/20/97/924182097.db2.gz SKJTXHIQBHQGNT-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001393346465 924183513 /nfs/dbraw/zinc/18/35/13/924183513.db2.gz BUWNUECYCNAECH-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001393345667 924184041 /nfs/dbraw/zinc/18/40/41/924184041.db2.gz LJNKGBZCUVDRGU-UHFFFAOYSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001393346460 924185094 /nfs/dbraw/zinc/18/50/94/924185094.db2.gz BUWNUECYCNAECH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2nncn2C)C1 ZINC001393347966 924187426 /nfs/dbraw/zinc/18/74/26/924187426.db2.gz CHBQOLMOEQXBRU-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1 ZINC001393354044 924188753 /nfs/dbraw/zinc/18/87/53/924188753.db2.gz PTPBUYCEIHBFLY-GFCCVEGCSA-N 1 1 309.370 -1.132 20 0 DAADMO NC(=O)NCCC(=O)NCC1(O)C[NH+](CC[C@H]2CCCO2)C1 ZINC001393355184 924189190 /nfs/dbraw/zinc/18/91/90/924189190.db2.gz YHAHQXCMZIZMCU-LLVKDONJSA-N 1 1 314.386 -1.223 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2cn(C)nn2)C1 ZINC001393358572 924189721 /nfs/dbraw/zinc/18/97/21/924189721.db2.gz ICVFXKFLMBYWNL-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001393355217 924189921 /nfs/dbraw/zinc/18/99/21/924189921.db2.gz RTHSYRDSLNLAMW-SNVBAGLBSA-N 1 1 309.374 -2.175 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H](C)COC)C2)C1 ZINC001393362370 924192029 /nfs/dbraw/zinc/19/20/29/924192029.db2.gz XVXOQZLIWMFBER-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN([C@@H](C)COC)C2)C1 ZINC001393362370 924192034 /nfs/dbraw/zinc/19/20/34/924192034.db2.gz XVXOQZLIWMFBER-STQMWFEESA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001393404115 924194957 /nfs/dbraw/zinc/19/49/57/924194957.db2.gz NHYXFIZUUMCCDU-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]2C1 ZINC001393402461 924195437 /nfs/dbraw/zinc/19/54/37/924195437.db2.gz KMXLPANHVJELMJ-ZZVYKPCYSA-N 1 1 313.398 -1.092 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C1 ZINC001393418108 924197076 /nfs/dbraw/zinc/19/70/76/924197076.db2.gz JLAVDYGFBAHEPU-KXNHARMFSA-N 1 1 319.427 -1.305 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001393410166 924197503 /nfs/dbraw/zinc/19/75/03/924197503.db2.gz KIRPUYWIXVQMFL-AXFHLTTASA-N 1 1 309.370 -1.806 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001393412378 924198100 /nfs/dbraw/zinc/19/81/00/924198100.db2.gz JBHPWROQIVEXKE-GRYCIOLGSA-N 1 1 309.370 -1.174 20 0 DAADMO COCC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001393409206 924198404 /nfs/dbraw/zinc/19/84/04/924198404.db2.gz FQSBZFURADLPHK-BETUJISGSA-N 1 1 313.398 -1.136 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001393434302 924202719 /nfs/dbraw/zinc/20/27/19/924202719.db2.gz CQJUWCMFJFTDMB-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001393463909 924207803 /nfs/dbraw/zinc/20/78/03/924207803.db2.gz USSXPWPNESSKKI-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001393456699 924209293 /nfs/dbraw/zinc/20/92/93/924209293.db2.gz FFZWYDMHJPNJET-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001393462396 924209667 /nfs/dbraw/zinc/20/96/67/924209667.db2.gz NNBWJIYUHNIUAP-CQSZACIVSA-N 1 1 311.386 -1.147 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](C)O ZINC001393462586 924210280 /nfs/dbraw/zinc/21/02/80/924210280.db2.gz LMLHWSWVUTYWDK-TUAOUCFPSA-N 1 1 319.427 -1.018 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001393456569 924211135 /nfs/dbraw/zinc/21/11/35/924211135.db2.gz HLQRIVDGZMIYFE-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001393456569 924211148 /nfs/dbraw/zinc/21/11/48/924211148.db2.gz HLQRIVDGZMIYFE-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001393468943 924211869 /nfs/dbraw/zinc/21/18/69/924211869.db2.gz WQRDTYDEZVZIQQ-VIFPVBQESA-N 1 1 312.374 -1.279 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001393468851 924212102 /nfs/dbraw/zinc/21/21/02/924212102.db2.gz LMZSKTXYWGLJNX-ONGXEEELSA-N 1 1 324.385 -1.137 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001393467852 924212151 /nfs/dbraw/zinc/21/21/51/924212151.db2.gz KFUAZIHTVYCJFB-YNEHKIRRSA-N 1 1 324.385 -1.254 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001393466885 924212486 /nfs/dbraw/zinc/21/24/86/924212486.db2.gz RDNSKYBCPQYIFT-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001393466881 924213175 /nfs/dbraw/zinc/21/31/75/924213175.db2.gz RDNSKYBCPQYIFT-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001393467846 924214445 /nfs/dbraw/zinc/21/44/45/924214445.db2.gz KFUAZIHTVYCJFB-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C ZINC001393469719 924214587 /nfs/dbraw/zinc/21/45/87/924214587.db2.gz ZPAWESRNMUBPNA-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001393466887 924214677 /nfs/dbraw/zinc/21/46/77/924214677.db2.gz RDNSKYBCPQYIFT-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001393465608 924215100 /nfs/dbraw/zinc/21/51/00/924215100.db2.gz BBGGEQWJBQWMBY-JTQLQIEISA-N 1 1 322.373 -1.353 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001393574505 924226139 /nfs/dbraw/zinc/22/61/39/924226139.db2.gz PMBNECPMJLSQSW-NXEZZACHSA-N 1 1 310.354 -1.046 20 0 DAADMO NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCO1 ZINC001393576572 924227441 /nfs/dbraw/zinc/22/74/41/924227441.db2.gz PZCDZWBPKXJRIB-HBNTYKKESA-N 1 1 307.354 -1.185 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001393573773 924227802 /nfs/dbraw/zinc/22/78/02/924227802.db2.gz KKOJGQMZXLAXQY-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001393572439 924227854 /nfs/dbraw/zinc/22/78/54/924227854.db2.gz SDIZYGQYVXIPHM-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393582848 924231158 /nfs/dbraw/zinc/23/11/58/924231158.db2.gz DLFRXFMVICKXCM-QWRGUYRKSA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393582848 924231169 /nfs/dbraw/zinc/23/11/69/924231169.db2.gz DLFRXFMVICKXCM-QWRGUYRKSA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cc3nc[nH]n3)CC2)C1 ZINC001393587618 924232881 /nfs/dbraw/zinc/23/28/81/924232881.db2.gz NOPSFIKGIWULRJ-JTQLQIEISA-N 1 1 322.369 -1.557 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)Cc3nc[nH]n3)CC2)C1 ZINC001393587618 924232895 /nfs/dbraw/zinc/23/28/95/924232895.db2.gz NOPSFIKGIWULRJ-JTQLQIEISA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001393606706 924233057 /nfs/dbraw/zinc/23/30/57/924233057.db2.gz QLTKUWGEPXGVLG-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393606283 924235085 /nfs/dbraw/zinc/23/50/85/924235085.db2.gz PNRHYXGIVSROTD-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)CN1CCS(=O)(=O)CC1 ZINC001393646457 924235973 /nfs/dbraw/zinc/23/59/73/924235973.db2.gz ZMXRVSYZYNEWQX-UHFFFAOYSA-N 1 1 321.443 -1.511 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001393623887 924236208 /nfs/dbraw/zinc/23/62/08/924236208.db2.gz WDIIYTXMGVUXFU-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001393622165 924236740 /nfs/dbraw/zinc/23/67/40/924236740.db2.gz JBSQQIQCSAWMIV-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001393623226 924237645 /nfs/dbraw/zinc/23/76/45/924237645.db2.gz QYHXCWMHNCIPFW-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001393637547 924238352 /nfs/dbraw/zinc/23/83/52/924238352.db2.gz UPSPTTRTRXCHAV-OUAUKWLOSA-N 1 1 314.386 -1.327 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)c3nnn(C)n3)CC2)CC[N@H+]1C ZINC001393663690 924240442 /nfs/dbraw/zinc/24/04/42/924240442.db2.gz IXYFGERBYDWMMJ-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CNC(N)=O)CC2)CC[N@H+]1C ZINC001393662771 924240853 /nfs/dbraw/zinc/24/08/53/924240853.db2.gz HJTXPUDQPFQZPU-NXEZZACHSA-N 1 1 311.386 -1.240 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1C ZINC001393727966 924248704 /nfs/dbraw/zinc/24/87/04/924248704.db2.gz DTYUQHVPGQFBTG-WPRPVWTQSA-N 1 1 308.342 -1.085 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C2)[nH]1 ZINC001393728651 924249654 /nfs/dbraw/zinc/24/96/54/924249654.db2.gz IDGQJKIGBCCXOR-XCBNKYQSSA-N 1 1 308.342 -1.037 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H](C)NC(C)=O)CC2)C1 ZINC001393757810 924252742 /nfs/dbraw/zinc/25/27/42/924252742.db2.gz BIDRTWOQOBKQRO-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001393771421 924254473 /nfs/dbraw/zinc/25/44/73/924254473.db2.gz NKKATLLDENOGSW-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)[C@H](C)C1 ZINC001393777119 924255130 /nfs/dbraw/zinc/25/51/30/924255130.db2.gz BBWYDFQJLBQLKP-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)N1CCC(O)(C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001393764683 924255736 /nfs/dbraw/zinc/25/57/36/924255736.db2.gz HQRVTOWYNGIAKL-JTQLQIEISA-N 1 1 312.374 -1.139 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001393814742 924257355 /nfs/dbraw/zinc/25/73/55/924257355.db2.gz LWACXUVZBTYPLC-VHSXEESVSA-N 1 1 309.370 -1.616 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)c2nnn(C)n2)CC1 ZINC001393791010 924258910 /nfs/dbraw/zinc/25/89/10/924258910.db2.gz ZSBSVZVRONOWJK-UHFFFAOYSA-N 1 1 318.341 -1.206 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001393814727 924259287 /nfs/dbraw/zinc/25/92/87/924259287.db2.gz LWACXUVZBTYPLC-UWVGGRQHSA-N 1 1 309.370 -1.616 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001393842233 924260285 /nfs/dbraw/zinc/26/02/85/924260285.db2.gz HDKCHWZNNTVYGN-CQSZACIVSA-N 1 1 317.361 -1.196 20 0 DAADMO Cn1nncc1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001393840998 924261295 /nfs/dbraw/zinc/26/12/95/924261295.db2.gz DYSYTMCUCOGCJG-SNVBAGLBSA-N 1 1 322.369 -1.740 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnn(C)c2)CC1 ZINC001393834482 924261446 /nfs/dbraw/zinc/26/14/46/924261446.db2.gz AYDWSTTXEGQWIX-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO O=C(Cn1cnnn1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001393836390 924261874 /nfs/dbraw/zinc/26/18/74/924261874.db2.gz SRUHYHOALFTIOZ-SNVBAGLBSA-N 1 1 323.357 -2.495 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001393850998 924262576 /nfs/dbraw/zinc/26/25/76/924262576.db2.gz ABJHMNFEZJBTER-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001393849369 924263031 /nfs/dbraw/zinc/26/30/31/924263031.db2.gz ASAZQOMTRPFSAP-JTQLQIEISA-N 1 1 311.342 -1.110 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871242 924265405 /nfs/dbraw/zinc/26/54/05/924265405.db2.gz KMHNLAULKHRQBW-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871242 924265412 /nfs/dbraw/zinc/26/54/12/924265412.db2.gz KMHNLAULKHRQBW-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)c1=O ZINC001393874805 924265529 /nfs/dbraw/zinc/26/55/29/924265529.db2.gz BKDZXIISZRWHEF-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)c1=O ZINC001393874805 924265534 /nfs/dbraw/zinc/26/55/34/924265534.db2.gz BKDZXIISZRWHEF-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001393880578 924265800 /nfs/dbraw/zinc/26/58/00/924265800.db2.gz GUELIRCUBSTRQW-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001393880581 924266432 /nfs/dbraw/zinc/26/64/32/924266432.db2.gz GUELIRCUBSTRQW-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)c1=O ZINC001393874798 924266461 /nfs/dbraw/zinc/26/64/61/924266461.db2.gz BKDZXIISZRWHEF-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)c1=O ZINC001393874798 924266471 /nfs/dbraw/zinc/26/64/71/924266471.db2.gz BKDZXIISZRWHEF-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001393865145 924266722 /nfs/dbraw/zinc/26/67/22/924266722.db2.gz BNXJKKIPBQPDGK-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001393865145 924266732 /nfs/dbraw/zinc/26/67/32/924266732.db2.gz BNXJKKIPBQPDGK-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001393877384 924266748 /nfs/dbraw/zinc/26/67/48/924266748.db2.gz KRXSYRGRTZYFPK-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001393877384 924266758 /nfs/dbraw/zinc/26/67/58/924266758.db2.gz KRXSYRGRTZYFPK-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001393917512 924266922 /nfs/dbraw/zinc/26/69/22/924266922.db2.gz AVULBXQFWAOXKX-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001393966988 924270674 /nfs/dbraw/zinc/27/06/74/924270674.db2.gz WTSFZQQLRQNYLF-NXEZZACHSA-N 1 1 324.385 -1.207 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001393976740 924271068 /nfs/dbraw/zinc/27/10/68/924271068.db2.gz BUJMRQLRMNWBEO-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001394009548 924272128 /nfs/dbraw/zinc/27/21/28/924272128.db2.gz VJWXBEZWTIRGLM-VHSXEESVSA-N 1 1 311.386 -1.336 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394041525 924274026 /nfs/dbraw/zinc/27/40/26/924274026.db2.gz ILRZRJYOFRIGHI-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394041525 924274030 /nfs/dbraw/zinc/27/40/30/924274030.db2.gz ILRZRJYOFRIGHI-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394048160 924274156 /nfs/dbraw/zinc/27/41/56/924274156.db2.gz XBZBUPXXDALWBI-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394048160 924274163 /nfs/dbraw/zinc/27/41/63/924274163.db2.gz XBZBUPXXDALWBI-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)N1CCC1 ZINC001394047515 924274527 /nfs/dbraw/zinc/27/45/27/924274527.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N1CCC1 ZINC001394047515 924274536 /nfs/dbraw/zinc/27/45/36/924274536.db2.gz OATNOQOILTZWQF-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001394035498 924274822 /nfs/dbraw/zinc/27/48/22/924274822.db2.gz KQHJQEFMWCCPJE-DGCLKSJQSA-N 1 1 311.386 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001394053762 924274895 /nfs/dbraw/zinc/27/48/95/924274895.db2.gz PIBFKVMVYHQEJC-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001394053762 924274904 /nfs/dbraw/zinc/27/49/04/924274904.db2.gz PIBFKVMVYHQEJC-HTQZYQBOSA-N 1 1 315.330 -2.013 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001394035499 924275023 /nfs/dbraw/zinc/27/50/23/924275023.db2.gz KQHJQEFMWCCPJE-WCQYABFASA-N 1 1 311.386 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cccn1 ZINC001394035053 924275782 /nfs/dbraw/zinc/27/57/82/924275782.db2.gz GMIGDAOFJUWBDG-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cccn1 ZINC001394035053 924275793 /nfs/dbraw/zinc/27/57/93/924275793.db2.gz GMIGDAOFJUWBDG-SNVBAGLBSA-N 1 1 310.358 -1.225 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001394079187 924276899 /nfs/dbraw/zinc/27/68/99/924276899.db2.gz LTWVKCMXQSZZRC-GHMZBOCLSA-N 1 1 324.385 -1.751 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)NC ZINC001394068172 924277310 /nfs/dbraw/zinc/27/73/10/924277310.db2.gz RPSBLHUJCQJZCZ-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)NC ZINC001394068172 924277320 /nfs/dbraw/zinc/27/73/20/924277320.db2.gz RPSBLHUJCQJZCZ-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089615 924278491 /nfs/dbraw/zinc/27/84/91/924278491.db2.gz LMRMTXFGHCFFAH-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001394089615 924278503 /nfs/dbraw/zinc/27/85/03/924278503.db2.gz LMRMTXFGHCFFAH-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001394065777 924278581 /nfs/dbraw/zinc/27/85/81/924278581.db2.gz MMBROACLOCLDSA-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001394106424 924279355 /nfs/dbraw/zinc/27/93/55/924279355.db2.gz XPAUFBJAAKBMSB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394108613 924279436 /nfs/dbraw/zinc/27/94/36/924279436.db2.gz KIIFTYJACJXLQQ-DTWKUNHWSA-N 1 1 304.347 -1.721 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394108613 924279440 /nfs/dbraw/zinc/27/94/40/924279440.db2.gz KIIFTYJACJXLQQ-DTWKUNHWSA-N 1 1 304.347 -1.721 20 0 DAADMO Cc1nc(C(=O)NC[C@@H](C)[N@@H+](C)CCO)nn1-c1nc[nH]n1 ZINC001394091844 924279604 /nfs/dbraw/zinc/27/96/04/924279604.db2.gz ILBDMYYKKVNWLS-MRVPVSSYSA-N 1 1 308.346 -1.264 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001394093511 924279723 /nfs/dbraw/zinc/27/97/23/924279723.db2.gz IXOOBSZJPPDVRS-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001394093511 924279731 /nfs/dbraw/zinc/27/97/31/924279731.db2.gz IXOOBSZJPPDVRS-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394106421 924279803 /nfs/dbraw/zinc/27/98/03/924279803.db2.gz XPAUFBJAAKBMSB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001394127683 924280204 /nfs/dbraw/zinc/28/02/04/924280204.db2.gz NGSUGZGVFGWJPG-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001394108617 924281267 /nfs/dbraw/zinc/28/12/67/924281267.db2.gz KIIFTYJACJXLQQ-IUCAKERBSA-N 1 1 304.347 -1.721 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394108617 924281275 /nfs/dbraw/zinc/28/12/75/924281275.db2.gz KIIFTYJACJXLQQ-IUCAKERBSA-N 1 1 304.347 -1.721 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CC(=O)NC(N)=O ZINC001394121203 924281583 /nfs/dbraw/zinc/28/15/83/924281583.db2.gz FURKHUHMESRKLT-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(CCn2cncn2)C1 ZINC001394146464 924282617 /nfs/dbraw/zinc/28/26/17/924282617.db2.gz IQFOXFGMOQGCSA-ZDUSSCGKSA-N 1 1 322.413 -1.075 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)N(C)CC(=O)NC)C1 ZINC001394139998 924282896 /nfs/dbraw/zinc/28/28/96/924282896.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)N(C)CC(=O)NC)C1 ZINC001394139998 924282902 /nfs/dbraw/zinc/28/29/02/924282902.db2.gz JYCLAFGWNLRUOU-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1C(N)=O)[N@H+](C)CC(=O)N(C)C ZINC001394138087 924283329 /nfs/dbraw/zinc/28/33/29/924283329.db2.gz VSJPIHQNTIKTDU-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@H](CNC(=O)c1nccnc1C(N)=O)[N@@H+](C)CC(=O)N(C)C ZINC001394138087 924283340 /nfs/dbraw/zinc/28/33/40/924283340.db2.gz VSJPIHQNTIKTDU-SECBINFHSA-N 1 1 322.369 -1.286 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001394145871 924283786 /nfs/dbraw/zinc/28/37/86/924283786.db2.gz YTQNNPLPAIIBHD-MRVPVSSYSA-N 1 1 319.387 -1.023 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001394145871 924283791 /nfs/dbraw/zinc/28/37/91/924283791.db2.gz YTQNNPLPAIIBHD-MRVPVSSYSA-N 1 1 319.387 -1.023 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394136072 924283848 /nfs/dbraw/zinc/28/38/48/924283848.db2.gz MKCAPOBZZFFVKM-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO Cn1ncc(CN2CC(CCO)(NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001394145817 924284030 /nfs/dbraw/zinc/28/40/30/924284030.db2.gz DMABUCNPOXHXTQ-CYBMUJFWSA-N 1 1 322.413 -1.038 20 0 DAADMO CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394136073 924284061 /nfs/dbraw/zinc/28/40/61/924284061.db2.gz MKCAPOBZZFFVKM-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001394147861 924285352 /nfs/dbraw/zinc/28/53/52/924285352.db2.gz RWFKBOOHIWLMEZ-QWRGUYRKSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](C[NH+]1CC(CCO)(NC(=O)CNC(=O)NC)C1)OC ZINC001394151043 924285822 /nfs/dbraw/zinc/28/58/22/924285822.db2.gz DNLZMNXMCUHULO-NSHDSACASA-N 1 1 316.402 -1.107 20 0 DAADMO Cn1cnn(CC(=O)NC2(CCO)C[NH+](CC3CC3)C2)c1=O ZINC001394154158 924287532 /nfs/dbraw/zinc/28/75/32/924287532.db2.gz JCSXEPLXJMAWJW-UHFFFAOYSA-N 1 1 309.370 -1.455 20 0 DAADMO CC[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001394158003 924288083 /nfs/dbraw/zinc/28/80/83/924288083.db2.gz JXQGVJKDAZNVAA-UHFFFAOYSA-N 1 1 310.354 -1.730 20 0 DAADMO CNC(=O)NCC(=O)NC1(CCO)C[NH+](CCC[C@H](C)O)C1 ZINC001394153646 924288115 /nfs/dbraw/zinc/28/81/15/924288115.db2.gz RDVMKODCOGASEB-NSHDSACASA-N 1 1 316.402 -1.371 20 0 DAADMO CC(C)C[NH+]1CC(CCO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001394155879 924288186 /nfs/dbraw/zinc/28/81/86/924288186.db2.gz QMGUDFVVXBXDOB-UHFFFAOYSA-N 1 1 311.386 -1.209 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001394208651 924291696 /nfs/dbraw/zinc/29/16/96/924291696.db2.gz BCSCMUKTKJBKBE-JTQLQIEISA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](NC(=O)Cc1nnc[nH]1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001394247557 924293487 /nfs/dbraw/zinc/29/34/87/924293487.db2.gz MEKXDARTYSQAAC-JTQLQIEISA-N 1 1 321.385 -1.191 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)[C@H](C)NC(N)=O)C(C)(C)C1 ZINC001394293619 924295195 /nfs/dbraw/zinc/29/51/95/924295195.db2.gz RNHPXLINKKTNIP-DCAQKATOSA-N 1 1 316.402 -1.123 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001394284256 924295612 /nfs/dbraw/zinc/29/56/12/924295612.db2.gz TXMVXRLOAORYGF-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001394284256 924295620 /nfs/dbraw/zinc/29/56/20/924295620.db2.gz TXMVXRLOAORYGF-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001394302857 924296356 /nfs/dbraw/zinc/29/63/56/924296356.db2.gz SXBPXPYAXMGWPY-MMWGEVLESA-N 1 1 307.358 -1.769 20 0 DAADMO C[NH+]1CCC(OCC(=O)NC[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)CC1 ZINC001394312548 924296504 /nfs/dbraw/zinc/29/65/04/924296504.db2.gz AEKPPYPSCXMNQY-ZSOGYDGISA-N 1 1 324.425 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001394313530 924297190 /nfs/dbraw/zinc/29/71/90/924297190.db2.gz HMBIBIXFGQUXFE-FQUUOJAGSA-N 1 1 324.425 -1.253 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)n1 ZINC001394297408 924297252 /nfs/dbraw/zinc/29/72/52/924297252.db2.gz CAYVIONKNXKQSY-RTCCRHLQSA-N 1 1 322.369 -1.947 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001394324113 924297844 /nfs/dbraw/zinc/29/78/44/924297844.db2.gz QMNSQEBMUUHABK-DBIOUOCHSA-N 1 1 310.354 -1.488 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CS(=O)(=O)C3)[C@@H]2C1 ZINC001394333118 924298472 /nfs/dbraw/zinc/29/84/72/924298472.db2.gz YCMMPURWQJJRBL-RTCCRHLQSA-N 1 1 315.395 -1.800 20 0 DAADMO CC(C)[C@@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001394412525 924301538 /nfs/dbraw/zinc/30/15/38/924301538.db2.gz WMPCVKFWHLFEIJ-OUAUKWLOSA-N 1 1 323.401 -1.048 20 0 DAADMO C[C@@H](CN(C)C(=O)CS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001394477113 924303747 /nfs/dbraw/zinc/30/37/47/924303747.db2.gz GDRLAOZLGOKUCC-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)[NH2+][C@@H](C)c1nncn1C ZINC001394469118 924305109 /nfs/dbraw/zinc/30/51/09/924305109.db2.gz UPMBFHWGFPYQCO-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001394502973 924305452 /nfs/dbraw/zinc/30/54/52/924305452.db2.gz MKMDTXRQXLKVHD-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)c1nccs1 ZINC001394560811 924306210 /nfs/dbraw/zinc/30/62/10/924306210.db2.gz CFFQRXVIGWHFAR-SECBINFHSA-N 1 1 316.383 -1.181 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001394533760 924306380 /nfs/dbraw/zinc/30/63/80/924306380.db2.gz UEDWJQXMLDYBQC-BDAKNGLRSA-N 1 1 319.387 -1.056 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001394513802 924307785 /nfs/dbraw/zinc/30/77/85/924307785.db2.gz QCZGPLLHYGONRO-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001394565406 924308118 /nfs/dbraw/zinc/30/81/18/924308118.db2.gz UFAPWAFIBRGBIS-LBPRGKRZSA-N 1 1 309.370 -1.468 20 0 DAADMO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]nc(C)c1C ZINC001394574447 924313288 /nfs/dbraw/zinc/31/32/88/924313288.db2.gz VSKCEOSTWFODSJ-MNOVXSKESA-N 1 1 300.359 -1.286 20 0 DAADMO CCn1nncc1CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001394575357 924314374 /nfs/dbraw/zinc/31/43/74/924314374.db2.gz FZFJJTQKKSATSV-WCQYABFASA-N 1 1 310.402 -1.041 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001394579825 924316960 /nfs/dbraw/zinc/31/69/60/924316960.db2.gz KSXZYOGQUIVMEK-NSHDSACASA-N 1 1 312.374 -1.694 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001394579809 924317567 /nfs/dbraw/zinc/31/75/67/924317567.db2.gz KSXZYOGQUIVMEK-LLVKDONJSA-N 1 1 312.374 -1.694 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)N1CCCC1 ZINC001394578423 924318311 /nfs/dbraw/zinc/31/83/11/924318311.db2.gz LPYLQUSSVLRHDP-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)n[nH]1 ZINC001394581298 924319528 /nfs/dbraw/zinc/31/95/28/924319528.db2.gz DBZYRNCWRPSXLY-JTQLQIEISA-N 1 1 310.358 -2.045 20 0 DAADMO CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ncccc1O ZINC001394581692 924319699 /nfs/dbraw/zinc/31/96/99/924319699.db2.gz FKXJDLMEDJEFHL-SNVBAGLBSA-N 1 1 310.354 -1.006 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O ZINC001394582181 924320103 /nfs/dbraw/zinc/32/01/03/924320103.db2.gz SFPICMCMPHOZNM-IUCAKERBSA-N 1 1 301.347 -2.658 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001394585318 924322066 /nfs/dbraw/zinc/32/20/66/924322066.db2.gz YONCMVOORPIPTK-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2ncccc2O)C1=O ZINC001394589251 924326700 /nfs/dbraw/zinc/32/67/00/924326700.db2.gz XOHVFNGZWLMMEM-ZJUUUORDSA-N 1 1 308.338 -1.302 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001394590964 924327599 /nfs/dbraw/zinc/32/75/99/924327599.db2.gz DVLLDMJUVUPYGW-SNVBAGLBSA-N 1 1 321.341 -1.326 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+]CCn2cccn2)n[nH]1 ZINC001394591189 924327938 /nfs/dbraw/zinc/32/79/38/924327938.db2.gz YQPQMBGIYNIYJQ-LLVKDONJSA-N 1 1 307.358 -1.381 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001394592068 924328017 /nfs/dbraw/zinc/32/80/17/924328017.db2.gz YBGDCLUEMWGIRK-NSHDSACASA-N 1 1 320.357 -1.917 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)NCC(N)=O)ccc2c[nH+]cn21 ZINC001394601415 924332032 /nfs/dbraw/zinc/33/20/32/924332032.db2.gz FLGQOSMWDJKGBJ-JTQLQIEISA-N 1 1 305.338 -1.192 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCNC2=O)ncn1 ZINC001394606968 924335145 /nfs/dbraw/zinc/33/51/45/924335145.db2.gz NPCZDUDZABYCMW-YPMHNXCESA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001394609242 924335190 /nfs/dbraw/zinc/33/51/90/924335190.db2.gz FVFIHJIKLFJUQM-IINYFYTJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)ncn1 ZINC001394606950 924335829 /nfs/dbraw/zinc/33/58/29/924335829.db2.gz NPCZDUDZABYCMW-AAEUAGOBSA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001394608409 924336287 /nfs/dbraw/zinc/33/62/87/924336287.db2.gz CKUQRUYUXNODCS-SECBINFHSA-N 1 1 321.341 -1.326 20 0 DAADMO CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394607810 924336314 /nfs/dbraw/zinc/33/63/14/924336314.db2.gz PBUAUJUBGYOJAL-MNOVXSKESA-N 1 1 300.403 -1.328 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001394608818 924336396 /nfs/dbraw/zinc/33/63/96/924336396.db2.gz UOSYKQAJIUWTAA-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001394614289 924339025 /nfs/dbraw/zinc/33/90/25/924339025.db2.gz WQIMREMHGAMEKX-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001394616435 924340533 /nfs/dbraw/zinc/34/05/33/924340533.db2.gz SJONZDLHJZHXSC-XHDPSFHLSA-N 1 1 323.397 -1.097 20 0 DAADMO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001394620588 924342830 /nfs/dbraw/zinc/34/28/30/924342830.db2.gz KWMROFHVILGVAU-VHSXEESVSA-N 1 1 324.385 -1.573 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1ccon1 ZINC001394627043 924343948 /nfs/dbraw/zinc/34/39/48/924343948.db2.gz UYWVIMYGNQATJT-DNJQJEMRSA-N 1 1 324.337 -1.428 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)CCC(=O)N1 ZINC001394626905 924345294 /nfs/dbraw/zinc/34/52/94/924345294.db2.gz TWNIBUOHCKXZPP-PELKAZGASA-N 1 1 313.383 -1.227 20 0 DAADMO CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394633794 924346713 /nfs/dbraw/zinc/34/67/13/924346713.db2.gz SNMICDBHUWZTRI-DGCLKSJQSA-N 1 1 314.430 -1.081 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2cnn(C)n2)C1 ZINC001394634773 924348973 /nfs/dbraw/zinc/34/89/73/924348973.db2.gz KUVZQIBSHQDGPZ-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)ncn1 ZINC001394642707 924351160 /nfs/dbraw/zinc/35/11/60/924351160.db2.gz MWFMGAOMFGIKBF-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001394647623 924352331 /nfs/dbraw/zinc/35/23/31/924352331.db2.gz HJMAVYWBQFUFAX-SECBINFHSA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1ncnc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394652269 924354351 /nfs/dbraw/zinc/35/43/51/924354351.db2.gz LWLHGYUONZCBIN-NWDGAFQWSA-N 1 1 310.402 -1.276 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)ncn1 ZINC001394649743 924355371 /nfs/dbraw/zinc/35/53/71/924355371.db2.gz VMMQKZOWQNOPDZ-NEPJUHHUSA-N 1 1 307.354 -1.370 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394652272 924355533 /nfs/dbraw/zinc/35/55/33/924355533.db2.gz LWLHGYUONZCBIN-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cn1ccccc1=O ZINC001394656699 924356882 /nfs/dbraw/zinc/35/68/82/924356882.db2.gz MWXCKKKLUKMJPL-LLVKDONJSA-N 1 1 320.353 -1.756 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657048 924357340 /nfs/dbraw/zinc/35/73/40/924357340.db2.gz NWSUNOLHEQQNQN-MNOVXSKESA-N 1 1 307.416 -1.951 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCS(C)(=O)=O)C1 ZINC001394657048 924357334 /nfs/dbraw/zinc/35/73/34/924357334.db2.gz NWSUNOLHEQQNQN-MNOVXSKESA-N 1 1 307.416 -1.951 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001394658536 924359182 /nfs/dbraw/zinc/35/91/82/924359182.db2.gz XPFAQQCLWLAIIN-JTQLQIEISA-N 1 1 323.378 -1.033 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CNC(=O)NC)CCC[C@@H]12 ZINC001394672086 924361009 /nfs/dbraw/zinc/36/10/09/924361009.db2.gz BBNHCATYYBNQKR-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC001394677753 924361688 /nfs/dbraw/zinc/36/16/88/924361688.db2.gz JAMJTQKHCCXJAD-BXUZGUMPSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnccn1 ZINC001394725425 924362991 /nfs/dbraw/zinc/36/29/91/924362991.db2.gz CISOWXMFODXOCH-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nccs1)C(=O)Cn1cnnn1 ZINC001394718845 924363738 /nfs/dbraw/zinc/36/37/38/924363738.db2.gz KGEGPVKWAXMJLO-VIFPVBQESA-N 1 1 311.371 -1.261 20 0 DAADMO CC[C@@H](OC)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001394731354 924364673 /nfs/dbraw/zinc/36/46/73/924364673.db2.gz OLLLDTVWKLJNQM-NXEZZACHSA-N 1 1 300.363 -1.456 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cn1cccn1 ZINC001394728959 924364815 /nfs/dbraw/zinc/36/48/15/924364815.db2.gz ORPFOGUBJBLPCM-LBPRGKRZSA-N 1 1 307.358 -1.379 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001394731378 924365011 /nfs/dbraw/zinc/36/50/11/924365011.db2.gz OLLLDTVWKLJNQM-ZJUUUORDSA-N 1 1 300.363 -1.456 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001394730501 924365168 /nfs/dbraw/zinc/36/51/68/924365168.db2.gz MJPPACCAMPLTLQ-VHSXEESVSA-N 1 1 310.358 -1.997 20 0 DAADMO CC[C@H](OC)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001394731370 924365623 /nfs/dbraw/zinc/36/56/23/924365623.db2.gz OLLLDTVWKLJNQM-UWVGGRQHSA-N 1 1 300.363 -1.456 20 0 DAADMO CN(C[C@H](O)CNCc1cnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001394730351 924366399 /nfs/dbraw/zinc/36/63/99/924366399.db2.gz KXALRBPRGVZYAP-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001394733501 924366848 /nfs/dbraw/zinc/36/68/48/924366848.db2.gz VISGSIVGKZIQMD-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)CN1CCOCC1 ZINC001394733382 924366859 /nfs/dbraw/zinc/36/68/59/924366859.db2.gz LLSKXHXJMWTLFB-ZDUSSCGKSA-N 1 1 323.397 -1.282 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)CN1CCOCC1 ZINC001394733381 924366956 /nfs/dbraw/zinc/36/69/56/924366956.db2.gz LLSKXHXJMWTLFB-CYBMUJFWSA-N 1 1 323.397 -1.282 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)[nH]1 ZINC001394734004 924367056 /nfs/dbraw/zinc/36/70/56/924367056.db2.gz MOXTZCWICSOPCS-PSASIEDQSA-N 1 1 323.361 -1.730 20 0 DAADMO CN(C[C@H](O)CNCc1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394732187 924367192 /nfs/dbraw/zinc/36/71/92/924367192.db2.gz RDAIBQMBMLKDDK-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ncccc1O ZINC001394732694 924367941 /nfs/dbraw/zinc/36/79/41/924367941.db2.gz IEHIJZQWUASEHR-ZJUUUORDSA-N 1 1 310.354 -1.056 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2nnc(C)[nH]2)[nH]1 ZINC001394735692 924369476 /nfs/dbraw/zinc/36/94/76/924369476.db2.gz VUTZQHVQTCEBMW-JTQLQIEISA-N 1 1 322.373 -1.309 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1nccnc1N ZINC001394735331 924369541 /nfs/dbraw/zinc/36/95/41/924369541.db2.gz MUVIJEPDJIDSNH-SECBINFHSA-N 1 1 320.357 -1.590 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001394740456 924370913 /nfs/dbraw/zinc/37/09/13/924370913.db2.gz LVYLLBQILGUVSH-VXGBXAGGSA-N 1 1 321.381 -1.136 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001394743413 924371684 /nfs/dbraw/zinc/37/16/84/924371684.db2.gz XJWCPYOTRXFOFM-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nocc1C ZINC001394743538 924372447 /nfs/dbraw/zinc/37/24/47/924372447.db2.gz SDQMZAZZSZNNLJ-SNVBAGLBSA-N 1 1 313.358 -1.179 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)nn1)c1nncn1C ZINC001394738637 924372598 /nfs/dbraw/zinc/37/25/98/924372598.db2.gz WVQOYMNGAKCXQR-NXEZZACHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1ccn(C)c(=O)c1 ZINC001394746487 924373807 /nfs/dbraw/zinc/37/38/07/924373807.db2.gz UCMRPFFYAKADGY-GFCCVEGCSA-N 1 1 321.337 -1.009 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cc1cnc[nH]1 ZINC001394751540 924375312 /nfs/dbraw/zinc/37/53/12/924375312.db2.gz CPNLGVPETKUEKD-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001394753226 924375575 /nfs/dbraw/zinc/37/55/75/924375575.db2.gz DRNOLASMZSNMIT-VIFPVBQESA-N 1 1 309.330 -1.352 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001394751367 924375661 /nfs/dbraw/zinc/37/56/61/924375661.db2.gz NAXLEQUWTKFNSS-WDEREUQCSA-N 1 1 322.369 -1.591 20 0 DAADMO CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394751332 924376037 /nfs/dbraw/zinc/37/60/37/924376037.db2.gz NABHEAWEWDEAFE-GHMZBOCLSA-N 1 1 311.390 -1.787 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001394752336 924376352 /nfs/dbraw/zinc/37/63/52/924376352.db2.gz CFFWYWMCSCLWDD-VXGBXAGGSA-N 1 1 316.402 -2.151 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001394749627 924376374 /nfs/dbraw/zinc/37/63/74/924376374.db2.gz FKVFEYPOIAMMQR-LLVKDONJSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001394751356 924376425 /nfs/dbraw/zinc/37/64/25/924376425.db2.gz HJLISZYKNUYCEV-ZCFIWIBFSA-N 1 1 323.275 -1.064 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001394756966 924379522 /nfs/dbraw/zinc/37/95/22/924379522.db2.gz HEIQHQZCJKPJDD-NSHDSACASA-N 1 1 321.385 -1.002 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCOC ZINC001394763038 924380006 /nfs/dbraw/zinc/38/00/06/924380006.db2.gz KRWJHXAAEFWEFI-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCOC ZINC001394763038 924380015 /nfs/dbraw/zinc/38/00/15/924380015.db2.gz KRWJHXAAEFWEFI-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO CN(C[C@H](O)CNCc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001394761945 924380427 /nfs/dbraw/zinc/38/04/27/924380427.db2.gz OYJVFJZGSUGXRL-SNVBAGLBSA-N 1 1 314.390 -2.031 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnn(C)n1 ZINC001394758294 924380517 /nfs/dbraw/zinc/38/05/17/924380517.db2.gz PETCWUVNTQAKPC-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC1 ZINC001394761162 924380545 /nfs/dbraw/zinc/38/05/45/924380545.db2.gz DYXXVWSAOJVECC-ONGXEEELSA-N 1 1 314.386 -1.008 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1n[nH]cc1F ZINC001394759931 924381213 /nfs/dbraw/zinc/38/12/13/924381213.db2.gz LNSKBQLIBYVMCO-QMMMGPOBSA-N 1 1 311.321 -1.100 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001394761326 924381277 /nfs/dbraw/zinc/38/12/77/924381277.db2.gz YBTBNGBTLPALGD-QWRGUYRKSA-N 1 1 324.385 -1.515 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001394771339 924383035 /nfs/dbraw/zinc/38/30/35/924383035.db2.gz VDHFUNXDGSWTIG-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001394771339 924383043 /nfs/dbraw/zinc/38/30/43/924383043.db2.gz VDHFUNXDGSWTIG-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001394765881 924383227 /nfs/dbraw/zinc/38/32/27/924383227.db2.gz FBNFKZHJGMOFTC-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001394765881 924383234 /nfs/dbraw/zinc/38/32/34/924383234.db2.gz FBNFKZHJGMOFTC-JTQLQIEISA-N 1 1 313.362 -2.440 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)n(C)n1 ZINC001394772894 924383574 /nfs/dbraw/zinc/38/35/74/924383574.db2.gz ZVXDUHSKINPCRR-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)n(C)n1 ZINC001394772894 924383582 /nfs/dbraw/zinc/38/35/82/924383582.db2.gz ZVXDUHSKINPCRR-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cncn2)n1 ZINC001394764294 924383700 /nfs/dbraw/zinc/38/37/00/924383700.db2.gz NXKFNSUFPMTQER-LBPRGKRZSA-N 1 1 319.369 -1.014 20 0 DAADMO CC(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001394772179 924383859 /nfs/dbraw/zinc/38/38/59/924383859.db2.gz XAZBXDAHOOJEFO-JTQLQIEISA-N 1 1 302.375 -1.022 20 0 DAADMO CC(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001394772179 924383861 /nfs/dbraw/zinc/38/38/61/924383861.db2.gz XAZBXDAHOOJEFO-JTQLQIEISA-N 1 1 302.375 -1.022 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001394769565 924383865 /nfs/dbraw/zinc/38/38/65/924383865.db2.gz QZFZNVCFYONVIG-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001394769565 924383868 /nfs/dbraw/zinc/38/38/68/924383868.db2.gz QZFZNVCFYONVIG-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394764311 924383967 /nfs/dbraw/zinc/38/39/67/924383967.db2.gz QOBPNWOUDIVJMT-VHSXEESVSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394768561 924384056 /nfs/dbraw/zinc/38/40/56/924384056.db2.gz NWTJXCPGTYBXHL-GFCCVEGCSA-N 1 1 324.385 -1.200 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001394777064 924384786 /nfs/dbraw/zinc/38/47/86/924384786.db2.gz RUWDDOHYIBEDFT-NSHDSACASA-N 1 1 317.386 -1.363 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001394777064 924384792 /nfs/dbraw/zinc/38/47/92/924384792.db2.gz RUWDDOHYIBEDFT-NSHDSACASA-N 1 1 317.386 -1.363 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394775260 924384866 /nfs/dbraw/zinc/38/48/66/924384866.db2.gz DARCZZIRQJSZSF-JTQLQIEISA-N 1 1 312.374 -1.352 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394775260 924384868 /nfs/dbraw/zinc/38/48/68/924384868.db2.gz DARCZZIRQJSZSF-JTQLQIEISA-N 1 1 312.374 -1.352 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001394773618 924385018 /nfs/dbraw/zinc/38/50/18/924385018.db2.gz AAOPWNCGSZSXOJ-MNOVXSKESA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)Cn1cnnn1 ZINC001394773394 924385140 /nfs/dbraw/zinc/38/51/40/924385140.db2.gz ZUMWSWXPVVALKE-NEPJUHHUSA-N 1 1 312.374 -1.539 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cnnn1 ZINC001394773398 924385595 /nfs/dbraw/zinc/38/55/95/924385595.db2.gz ZUMWSWXPVVALKE-RYUDHWBXSA-N 1 1 312.374 -1.539 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001394773215 924385666 /nfs/dbraw/zinc/38/56/66/924385666.db2.gz FVJIYGSLKLTBBV-LLVKDONJSA-N 1 1 324.385 -1.200 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001394774782 924385857 /nfs/dbraw/zinc/38/58/57/924385857.db2.gz LKGCXBDRHIXASE-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001394774782 924385860 /nfs/dbraw/zinc/38/58/60/924385860.db2.gz LKGCXBDRHIXASE-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001394772997 924385899 /nfs/dbraw/zinc/38/58/99/924385899.db2.gz VELYQIYUXMSBGD-NEPJUHHUSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cnnn1 ZINC001394773396 924385925 /nfs/dbraw/zinc/38/59/25/924385925.db2.gz ZUMWSWXPVVALKE-NWDGAFQWSA-N 1 1 312.374 -1.539 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774869 924385999 /nfs/dbraw/zinc/38/59/99/924385999.db2.gz BLWUHXHDKCGMAO-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394774869 924386004 /nfs/dbraw/zinc/38/60/04/924386004.db2.gz BLWUHXHDKCGMAO-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)c1cn[nH]n1 ZINC001394777785 924386272 /nfs/dbraw/zinc/38/62/72/924386272.db2.gz RSIVUIWQFUIPSI-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)c1cn[nH]n1 ZINC001394777785 924386280 /nfs/dbraw/zinc/38/62/80/924386280.db2.gz RSIVUIWQFUIPSI-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CCc1c[nH]c(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001394775000 924386979 /nfs/dbraw/zinc/38/69/79/924386979.db2.gz GRPHIIHLEJUGBF-NSHDSACASA-N 1 1 311.386 -1.249 20 0 DAADMO CCc1c[nH]c(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001394775000 924386982 /nfs/dbraw/zinc/38/69/82/924386982.db2.gz GRPHIIHLEJUGBF-NSHDSACASA-N 1 1 311.386 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001394780076 924387395 /nfs/dbraw/zinc/38/73/95/924387395.db2.gz WDFLTBZNBVZQQG-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001394780076 924387407 /nfs/dbraw/zinc/38/74/07/924387407.db2.gz WDFLTBZNBVZQQG-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001394780468 924387881 /nfs/dbraw/zinc/38/78/81/924387881.db2.gz BKOCDXZLBZWGCS-RYUDHWBXSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnn(C)n1 ZINC001394785076 924387898 /nfs/dbraw/zinc/38/78/98/924387898.db2.gz NDEPRRFZOJRIPY-LLVKDONJSA-N 1 1 322.373 -1.529 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001394785588 924387965 /nfs/dbraw/zinc/38/79/65/924387965.db2.gz PVLGMPAHCMLMMQ-SNVBAGLBSA-N 1 1 310.420 -1.847 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc2nc[nH]c2n1 ZINC001394785572 924388049 /nfs/dbraw/zinc/38/80/49/924388049.db2.gz KAQVWCJBDHTRFU-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc2nc[nH]c2n1 ZINC001394785572 924388057 /nfs/dbraw/zinc/38/80/57/924388057.db2.gz KAQVWCJBDHTRFU-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1cncn1 ZINC001394786488 924388259 /nfs/dbraw/zinc/38/82/59/924388259.db2.gz ATEFXAFJODFIDG-ZDUSSCGKSA-N 1 1 321.385 -1.074 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001394779453 924388300 /nfs/dbraw/zinc/38/83/00/924388300.db2.gz FUCRLXGNFMCKSK-RYUDHWBXSA-N 1 1 301.387 -1.354 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001394782331 924388347 /nfs/dbraw/zinc/38/83/47/924388347.db2.gz FISRBFNWZZXNSO-JTQLQIEISA-N 1 1 313.358 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001394782331 924388356 /nfs/dbraw/zinc/38/83/56/924388356.db2.gz FISRBFNWZZXNSO-JTQLQIEISA-N 1 1 313.358 -1.041 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394779898 924388455 /nfs/dbraw/zinc/38/84/55/924388455.db2.gz JJUDTEGODRYOHZ-UWVGGRQHSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394779898 924388463 /nfs/dbraw/zinc/38/84/63/924388463.db2.gz JJUDTEGODRYOHZ-UWVGGRQHSA-N 1 1 313.358 -1.455 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394782854 924389178 /nfs/dbraw/zinc/38/91/78/924389178.db2.gz JXIRNYOJQHHPFG-KIJLLGNVSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CCn1ncn(C)c1=O ZINC001394779216 924389707 /nfs/dbraw/zinc/38/97/07/924389707.db2.gz FILNITFUDGJFRO-LLVKDONJSA-N 1 1 317.365 -1.308 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CCn1ncn(C)c1=O ZINC001394779216 924389711 /nfs/dbraw/zinc/38/97/11/924389711.db2.gz FILNITFUDGJFRO-LLVKDONJSA-N 1 1 317.365 -1.308 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394794613 924390397 /nfs/dbraw/zinc/39/03/97/924390397.db2.gz OYWCHAVQUZILJM-MXWKQRLJSA-N 1 1 314.386 -2.005 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001394794613 924390402 /nfs/dbraw/zinc/39/04/02/924390402.db2.gz OYWCHAVQUZILJM-MXWKQRLJSA-N 1 1 314.386 -2.005 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001394787471 924391865 /nfs/dbraw/zinc/39/18/65/924391865.db2.gz KZGAVNORGRWCHM-SNVBAGLBSA-N 1 1 312.374 -1.434 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001394787471 924391869 /nfs/dbraw/zinc/39/18/69/924391869.db2.gz KZGAVNORGRWCHM-SNVBAGLBSA-N 1 1 312.374 -1.434 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001394788844 924392165 /nfs/dbraw/zinc/39/21/65/924392165.db2.gz FQYSKKRIRJGYBP-LLVKDONJSA-N 1 1 312.370 -1.209 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001394793123 924392241 /nfs/dbraw/zinc/39/22/41/924392241.db2.gz LTTTXUMKZYAOKC-SNVBAGLBSA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc(=O)n1C ZINC001394793123 924392246 /nfs/dbraw/zinc/39/22/46/924392246.db2.gz LTTTXUMKZYAOKC-SNVBAGLBSA-N 1 1 310.354 -1.765 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)C[C@H](C)O ZINC001394830001 924393142 /nfs/dbraw/zinc/39/31/42/924393142.db2.gz XKVXKOQVHCAJTP-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)CN(CCNC(=O)[C@H]1CCC[N@H+]1C)CCOC ZINC001394840582 924393232 /nfs/dbraw/zinc/39/32/32/924393232.db2.gz WSUWVCAIFODZGV-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCNC1=O ZINC001394837440 924394576 /nfs/dbraw/zinc/39/45/76/924394576.db2.gz OLQYZJHYASSWEO-VHSXEESVSA-N 1 1 313.358 -2.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCNC1=O ZINC001394837440 924394580 /nfs/dbraw/zinc/39/45/80/924394580.db2.gz OLQYZJHYASSWEO-VHSXEESVSA-N 1 1 313.358 -2.379 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001394796423 924394948 /nfs/dbraw/zinc/39/49/48/924394948.db2.gz ZAHVVZXLGXPMEX-LLVKDONJSA-N 1 1 310.354 -1.102 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001394796423 924394955 /nfs/dbraw/zinc/39/49/55/924394955.db2.gz ZAHVVZXLGXPMEX-LLVKDONJSA-N 1 1 310.354 -1.102 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CN=NC1=O ZINC001395090336 924400997 /nfs/dbraw/zinc/40/09/97/924400997.db2.gz LMQHGOIVBSMXPT-WDEREUQCSA-N 1 1 324.385 -1.102 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001395129436 924404160 /nfs/dbraw/zinc/40/41/60/924404160.db2.gz PLYLURLHKKPWNC-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)CNC(N)=O ZINC001395170319 924405663 /nfs/dbraw/zinc/40/56/63/924405663.db2.gz UYNSZWNINBBGTP-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001395266083 924411173 /nfs/dbraw/zinc/41/11/73/924411173.db2.gz CWSYGEFJKALLQD-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001395208940 924411379 /nfs/dbraw/zinc/41/13/79/924411379.db2.gz UXSYOEIMYYHHOR-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001395539250 924418427 /nfs/dbraw/zinc/41/84/27/924418427.db2.gz MPSPZYZWSYVKQM-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001395539254 924419172 /nfs/dbraw/zinc/41/91/72/924419172.db2.gz MPSPZYZWSYVKQM-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CCNC(N)=O ZINC001395570577 924420476 /nfs/dbraw/zinc/42/04/76/924420476.db2.gz FJEMTKVDNJWKPL-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCNC(N)=O ZINC001395570581 924420592 /nfs/dbraw/zinc/42/05/92/924420592.db2.gz FJEMTKVDNJWKPL-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001395637075 924423339 /nfs/dbraw/zinc/42/33/39/924423339.db2.gz LSFKKSAFDOVJIY-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395647250 924423882 /nfs/dbraw/zinc/42/38/82/924423882.db2.gz YQBQJRQRYNUYDP-VHSXEESVSA-N 1 1 309.374 -1.262 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H](CO)CNC(=O)C(F)F ZINC001395681047 924428258 /nfs/dbraw/zinc/42/82/58/924428258.db2.gz LWAFNNKUIYCQRZ-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H](CO)CNC(=O)C(F)F ZINC001395681045 924428945 /nfs/dbraw/zinc/42/89/45/924428945.db2.gz LWAFNNKUIYCQRZ-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cccn2)CC[N@H+]1C ZINC001395693641 924434367 /nfs/dbraw/zinc/43/43/67/924434367.db2.gz SMAQDVFDDRLCGB-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001395691761 924434389 /nfs/dbraw/zinc/43/43/89/924434389.db2.gz KPYLPCLHGTWTPR-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001395691761 924434393 /nfs/dbraw/zinc/43/43/93/924434393.db2.gz KPYLPCLHGTWTPR-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698335 924437655 /nfs/dbraw/zinc/43/76/55/924437655.db2.gz ASFOTQWZMXYEJK-CMPLNLGQSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc[nH]2)C1 ZINC001395698335 924437661 /nfs/dbraw/zinc/43/76/61/924437661.db2.gz ASFOTQWZMXYEJK-CMPLNLGQSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395701396 924438980 /nfs/dbraw/zinc/43/89/80/924438980.db2.gz WXFFLMSQOCKYFM-QWRGUYRKSA-N 1 1 309.370 -1.279 20 0 DAADMO CSCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395702059 924440758 /nfs/dbraw/zinc/44/07/58/924440758.db2.gz NHQXBAVQHNTBBJ-GHMZBOCLSA-N 1 1 319.427 -1.337 20 0 DAADMO CSCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395702059 924440764 /nfs/dbraw/zinc/44/07/64/924440764.db2.gz NHQXBAVQHNTBBJ-GHMZBOCLSA-N 1 1 319.427 -1.337 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395707762 924442139 /nfs/dbraw/zinc/44/21/39/924442139.db2.gz MGMBCQLCGRDRJR-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395707762 924442144 /nfs/dbraw/zinc/44/21/44/924442144.db2.gz MGMBCQLCGRDRJR-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001395709402 924443530 /nfs/dbraw/zinc/44/35/30/924443530.db2.gz VSJKETCSADXJEN-GHMZBOCLSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001395709404 924444081 /nfs/dbraw/zinc/44/40/81/924444081.db2.gz VSJKETCSADXJEN-QWRGUYRKSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001395709405 924444286 /nfs/dbraw/zinc/44/42/86/924444286.db2.gz VSJKETCSADXJEN-WDEREUQCSA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001395712500 924445692 /nfs/dbraw/zinc/44/56/92/924445692.db2.gz BCPGGBDVZIQYGA-NXEZZACHSA-N 1 1 324.385 -1.839 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1N ZINC001395712511 924445868 /nfs/dbraw/zinc/44/58/68/924445868.db2.gz BCPGGBDVZIQYGA-ZJUUUORDSA-N 1 1 324.385 -1.839 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001395715866 924447277 /nfs/dbraw/zinc/44/72/77/924447277.db2.gz MGMZAMAASNVXTM-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001395722996 924450031 /nfs/dbraw/zinc/45/00/31/924450031.db2.gz FYWMTIWROAIJGS-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CCNC(N)=O)C1 ZINC001395725244 924451066 /nfs/dbraw/zinc/45/10/66/924451066.db2.gz ADOZJQUDKJWJNX-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001395727421 924453064 /nfs/dbraw/zinc/45/30/64/924453064.db2.gz QOBMWULQLQANTF-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO Cc1nccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001395733526 924454043 /nfs/dbraw/zinc/45/40/43/924454043.db2.gz LWOXHWPIVMMJNL-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ncccn2)C1 ZINC001395733828 924455118 /nfs/dbraw/zinc/45/51/18/924455118.db2.gz CYIJVVOGBGYCND-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ccn(C)n2)C1 ZINC001395739036 924456064 /nfs/dbraw/zinc/45/60/64/924456064.db2.gz SGOJLFVTIFKRNN-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001395745885 924459911 /nfs/dbraw/zinc/45/99/11/924459911.db2.gz UHSQOBOCFGWJFE-LLVKDONJSA-N 1 1 302.375 -1.944 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1cnon1)C1CCC1 ZINC001395745411 924460061 /nfs/dbraw/zinc/46/00/61/924460061.db2.gz DNPFJRSBERAFEP-VIFPVBQESA-N 1 1 311.342 -1.239 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001395745079 924460448 /nfs/dbraw/zinc/46/04/48/924460448.db2.gz RCXMDKILZCFONJ-SNVBAGLBSA-N 1 1 317.390 -2.151 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2ncn[nH]2)CC1 ZINC001395757174 924465166 /nfs/dbraw/zinc/46/51/66/924465166.db2.gz KOSZPVAETOJPAB-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)c2nc[nH]n2)CC1 ZINC001395757174 924465174 /nfs/dbraw/zinc/46/51/74/924465174.db2.gz KOSZPVAETOJPAB-JTQLQIEISA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1nonc1C ZINC001395763117 924466328 /nfs/dbraw/zinc/46/63/28/924466328.db2.gz LMHNJCCTCBODQP-JTQLQIEISA-N 1 1 322.325 -1.210 20 0 DAADMO COCC1(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001395766532 924468698 /nfs/dbraw/zinc/46/86/98/924468698.db2.gz YLLXQWFFZAAZTK-NEPJUHHUSA-N 1 1 313.398 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001395771078 924469709 /nfs/dbraw/zinc/46/97/09/924469709.db2.gz JVEVHOQYBLYRHI-ZJUUUORDSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001395773836 924470250 /nfs/dbraw/zinc/47/02/50/924470250.db2.gz KXDSREZISFMXOL-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001395773836 924470256 /nfs/dbraw/zinc/47/02/56/924470256.db2.gz KXDSREZISFMXOL-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001395773836 924470263 /nfs/dbraw/zinc/47/02/63/924470263.db2.gz KXDSREZISFMXOL-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001395770297 924470364 /nfs/dbraw/zinc/47/03/64/924470364.db2.gz COHIJTIKKWFAGL-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001395770297 924470370 /nfs/dbraw/zinc/47/03/70/924470370.db2.gz COHIJTIKKWFAGL-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395772971 924470661 /nfs/dbraw/zinc/47/06/61/924470661.db2.gz HYGBLMZCGXZZQM-LBELIVKGSA-N 1 1 311.382 -1.434 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001395776221 924471663 /nfs/dbraw/zinc/47/16/63/924471663.db2.gz ADTGTZBPSTWSKV-IEECTRCBSA-N 1 1 311.382 -1.434 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001395773838 924471787 /nfs/dbraw/zinc/47/17/87/924471787.db2.gz KXDSREZISFMXOL-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001395773838 924471794 /nfs/dbraw/zinc/47/17/94/924471794.db2.gz KXDSREZISFMXOL-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001395773838 924471804 /nfs/dbraw/zinc/47/18/04/924471804.db2.gz KXDSREZISFMXOL-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cn(C)nn1 ZINC001395776690 924472343 /nfs/dbraw/zinc/47/23/43/924472343.db2.gz JNRCJJMLZSSLDV-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001395778255 924473903 /nfs/dbraw/zinc/47/39/03/924473903.db2.gz BXCDSUQPRUMRMC-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778255 924473910 /nfs/dbraw/zinc/47/39/10/924473910.db2.gz BXCDSUQPRUMRMC-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778255 924473918 /nfs/dbraw/zinc/47/39/18/924473918.db2.gz BXCDSUQPRUMRMC-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778255 924473925 /nfs/dbraw/zinc/47/39/25/924473925.db2.gz BXCDSUQPRUMRMC-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778255 924473930 /nfs/dbraw/zinc/47/39/30/924473930.db2.gz BXCDSUQPRUMRMC-NXEZZACHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001395778266 924474047 /nfs/dbraw/zinc/47/40/47/924474047.db2.gz BXCDSUQPRUMRMC-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778266 924474055 /nfs/dbraw/zinc/47/40/55/924474055.db2.gz BXCDSUQPRUMRMC-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001395778266 924474063 /nfs/dbraw/zinc/47/40/63/924474063.db2.gz BXCDSUQPRUMRMC-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778266 924474068 /nfs/dbraw/zinc/47/40/68/924474068.db2.gz BXCDSUQPRUMRMC-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001395778266 924474074 /nfs/dbraw/zinc/47/40/74/924474074.db2.gz BXCDSUQPRUMRMC-VHSXEESVSA-N 1 1 310.358 -1.647 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395780423 924475683 /nfs/dbraw/zinc/47/56/83/924475683.db2.gz VXSRUTIQAXIYNX-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001395797918 924480570 /nfs/dbraw/zinc/48/05/70/924480570.db2.gz QLOONSBCGQAVKR-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001395797915 924480818 /nfs/dbraw/zinc/48/08/18/924480818.db2.gz QLOONSBCGQAVKR-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cncn2C)C1 ZINC001395808248 924481831 /nfs/dbraw/zinc/48/18/31/924481831.db2.gz PBASLLDEXHUTRN-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nc[nH]n2)C1 ZINC001395805233 924481868 /nfs/dbraw/zinc/48/18/68/924481868.db2.gz GOPPUMKOTZBODS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395805233 924481878 /nfs/dbraw/zinc/48/18/78/924481878.db2.gz GOPPUMKOTZBODS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cc2nnc[nH]2)C1 ZINC001395805233 924481887 /nfs/dbraw/zinc/48/18/87/924481887.db2.gz GOPPUMKOTZBODS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001395808801 924483868 /nfs/dbraw/zinc/48/38/68/924483868.db2.gz FRXNDABWCCYTKJ-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808801 924483872 /nfs/dbraw/zinc/48/38/72/924483872.db2.gz FRXNDABWCCYTKJ-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808801 924483878 /nfs/dbraw/zinc/48/38/78/924483878.db2.gz FRXNDABWCCYTKJ-NXEZZACHSA-N 1 1 310.358 -2.108 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1cncn1C ZINC001395812615 924484121 /nfs/dbraw/zinc/48/41/21/924484121.db2.gz GXEFHRVJHLFWJH-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001395812256 924484538 /nfs/dbraw/zinc/48/45/38/924484538.db2.gz OSIAKZBALOIBIL-NSHDSACASA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2c[nH]cn2)C1 ZINC001395817077 924486051 /nfs/dbraw/zinc/48/60/51/924486051.db2.gz JMKFUCWYEMTZSV-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817077 924486055 /nfs/dbraw/zinc/48/60/55/924486055.db2.gz JMKFUCWYEMTZSV-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)C1 ZINC001395817077 924486063 /nfs/dbraw/zinc/48/60/63/924486063.db2.gz JMKFUCWYEMTZSV-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395969520 924492266 /nfs/dbraw/zinc/49/22/66/924492266.db2.gz KHTCDPLNYLLKGK-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395969520 924492270 /nfs/dbraw/zinc/49/22/70/924492270.db2.gz KHTCDPLNYLLKGK-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001396033971 924503464 /nfs/dbraw/zinc/50/34/64/924503464.db2.gz GAAFVZGTSLNYQK-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001396036102 924503697 /nfs/dbraw/zinc/50/36/97/924503697.db2.gz NKIAPSXNHRZJDU-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001396146715 924508847 /nfs/dbraw/zinc/50/88/47/924508847.db2.gz LQNZOACBODSKPP-NSHDSACASA-N 1 1 324.385 -1.039 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001396374950 924513946 /nfs/dbraw/zinc/51/39/46/924513946.db2.gz MPDQPXBARAMOLR-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001396374950 924513953 /nfs/dbraw/zinc/51/39/53/924513953.db2.gz MPDQPXBARAMOLR-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001396374465 924514113 /nfs/dbraw/zinc/51/41/13/924514113.db2.gz KYJXSLUVJGCPAR-VXGBXAGGSA-N 1 1 314.386 -1.849 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001396384437 924517643 /nfs/dbraw/zinc/51/76/43/924517643.db2.gz DUAPINTVROMSIC-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC001396429570 924524813 /nfs/dbraw/zinc/52/48/13/924524813.db2.gz XHKNNOCHGPJDBV-ZJUUUORDSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001396430767 924524877 /nfs/dbraw/zinc/52/48/77/924524877.db2.gz UVJUYCKTTUFVFN-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001396431116 924525224 /nfs/dbraw/zinc/52/52/24/924525224.db2.gz WYZSQAFAKKPVJR-UTLUCORTSA-N 1 1 313.358 -2.563 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001396437334 924526285 /nfs/dbraw/zinc/52/62/85/924526285.db2.gz YPROOJKEWWLWCQ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001396437334 924526291 /nfs/dbraw/zinc/52/62/91/924526291.db2.gz YPROOJKEWWLWCQ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001396437334 924526297 /nfs/dbraw/zinc/52/62/97/924526297.db2.gz YPROOJKEWWLWCQ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001396437334 924526302 /nfs/dbraw/zinc/52/63/02/924526302.db2.gz YPROOJKEWWLWCQ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001396437334 924526309 /nfs/dbraw/zinc/52/63/09/924526309.db2.gz YPROOJKEWWLWCQ-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001396748015 924539467 /nfs/dbraw/zinc/53/94/67/924539467.db2.gz NBGJJOCBWGHJHX-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001396930925 924549002 /nfs/dbraw/zinc/54/90/02/924549002.db2.gz YQUXHSSKDWUUES-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001396924118 924549019 /nfs/dbraw/zinc/54/90/19/924549019.db2.gz VTOCPBMUYHUKBE-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001396965429 924551427 /nfs/dbraw/zinc/55/14/27/924551427.db2.gz AHZQYTSSEBNZFU-NEPJUHHUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001396965431 924551633 /nfs/dbraw/zinc/55/16/33/924551633.db2.gz AHZQYTSSEBNZFU-NWDGAFQWSA-N 1 1 321.385 -1.364 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040899 924553923 /nfs/dbraw/zinc/55/39/23/924553923.db2.gz VKARDXGTMRMTST-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001397040899 924553930 /nfs/dbraw/zinc/55/39/30/924553930.db2.gz VKARDXGTMRMTST-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001397115506 924558623 /nfs/dbraw/zinc/55/86/23/924558623.db2.gz AWYSMUSKQBFJJM-MGCOHNPYSA-N 1 1 321.341 -1.351 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397137690 924559349 /nfs/dbraw/zinc/55/93/49/924559349.db2.gz TXHSWCKCMUFQQW-DCAQKATOSA-N 1 1 311.386 -1.288 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001397208656 924563469 /nfs/dbraw/zinc/56/34/69/924563469.db2.gz FRXGJXHCHOIYDP-NEPJUHHUSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001397208656 924563475 /nfs/dbraw/zinc/56/34/75/924563475.db2.gz FRXGJXHCHOIYDP-NEPJUHHUSA-N 1 1 315.370 -1.828 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001397245968 924564760 /nfs/dbraw/zinc/56/47/60/924564760.db2.gz XTPXCSXVTKRSBY-KOLCDFICSA-N 1 1 300.359 -2.190 20 0 DAADMO Cc1ccnn1CC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397228873 924564934 /nfs/dbraw/zinc/56/49/34/924564934.db2.gz RGNUXFHBALVZEI-CYBMUJFWSA-N 1 1 323.397 -1.038 20 0 DAADMO Cc1ccnn1CC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397228873 924564944 /nfs/dbraw/zinc/56/49/44/924564944.db2.gz RGNUXFHBALVZEI-CYBMUJFWSA-N 1 1 323.397 -1.038 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001397216906 924565359 /nfs/dbraw/zinc/56/53/59/924565359.db2.gz QUPNSKXIUQENGN-NWDGAFQWSA-N 1 1 312.374 -1.661 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001397219875 924565597 /nfs/dbraw/zinc/56/55/97/924565597.db2.gz URVHJNYPZFVGMS-NSHDSACASA-N 1 1 313.354 -1.355 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001397219875 924565603 /nfs/dbraw/zinc/56/56/03/924565603.db2.gz URVHJNYPZFVGMS-NSHDSACASA-N 1 1 313.354 -1.355 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001397235428 924565684 /nfs/dbraw/zinc/56/56/84/924565684.db2.gz HWCQBKJFQPQFLJ-ZDCRXTMVSA-N 1 1 302.375 -1.371 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001397278845 924566802 /nfs/dbraw/zinc/56/68/02/924566802.db2.gz GONFDTINXQRHOA-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO NC(=O)C[N@H+](CCO)C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001397278845 924566813 /nfs/dbraw/zinc/56/68/13/924566813.db2.gz GONFDTINXQRHOA-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001397278845 924566821 /nfs/dbraw/zinc/56/68/21/924566821.db2.gz GONFDTINXQRHOA-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@@H+]1CC(=O)N(C)C ZINC001397257705 924567616 /nfs/dbraw/zinc/56/76/16/924567616.db2.gz QGQTUFYIWRGUCK-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@H+]1CC(=O)N(C)C ZINC001397257705 924567628 /nfs/dbraw/zinc/56/76/28/924567628.db2.gz QGQTUFYIWRGUCK-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CNC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001397338881 924570095 /nfs/dbraw/zinc/57/00/95/924570095.db2.gz HOJIIDKDJJDSHJ-YFVNTRNASA-N 1 1 323.397 -1.432 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001397374583 924572409 /nfs/dbraw/zinc/57/24/09/924572409.db2.gz JIAQYSKHWVYWFW-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397389237 924573397 /nfs/dbraw/zinc/57/33/97/924573397.db2.gz CKWOFJUTVXIMPZ-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397389237 924573403 /nfs/dbraw/zinc/57/34/03/924573403.db2.gz CKWOFJUTVXIMPZ-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001397404096 924575256 /nfs/dbraw/zinc/57/52/56/924575256.db2.gz UKNHLSLSWARQAH-WDEREUQCSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001397404096 924575265 /nfs/dbraw/zinc/57/52/65/924575265.db2.gz UKNHLSLSWARQAH-WDEREUQCSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001397399827 924575701 /nfs/dbraw/zinc/57/57/01/924575701.db2.gz HRZPNHKDZVCZCA-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cc[nH]n1 ZINC001397399827 924575710 /nfs/dbraw/zinc/57/57/10/924575710.db2.gz HRZPNHKDZVCZCA-ZYHUDNBSSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397423305 924577121 /nfs/dbraw/zinc/57/71/21/924577121.db2.gz IOKXATKKBUJTQW-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397423305 924577132 /nfs/dbraw/zinc/57/71/32/924577132.db2.gz IOKXATKKBUJTQW-KOLCDFICSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397430347 924578369 /nfs/dbraw/zinc/57/83/69/924578369.db2.gz UWEKOSAPNBAZGJ-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397430347 924578376 /nfs/dbraw/zinc/57/83/76/924578376.db2.gz UWEKOSAPNBAZGJ-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397432450 924578396 /nfs/dbraw/zinc/57/83/96/924578396.db2.gz XMPBBPZMDAMJHJ-VHSXEESVSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397432450 924578406 /nfs/dbraw/zinc/57/84/06/924578406.db2.gz XMPBBPZMDAMJHJ-VHSXEESVSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001397439725 924579251 /nfs/dbraw/zinc/57/92/51/924579251.db2.gz UVICEQVAGGYODG-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001397487535 924581961 /nfs/dbraw/zinc/58/19/61/924581961.db2.gz LKFMZZFQLNYFDJ-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001397487517 924582225 /nfs/dbraw/zinc/58/22/25/924582225.db2.gz LKFMZZFQLNYFDJ-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)Cn1ncnn1 ZINC001397481116 924582737 /nfs/dbraw/zinc/58/27/37/924582737.db2.gz ZXCLSXARYYFDEQ-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001397498727 924584056 /nfs/dbraw/zinc/58/40/56/924584056.db2.gz ARGBJXXKSCNGPM-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)CCn1cnnn1 ZINC001397498725 924584629 /nfs/dbraw/zinc/58/46/29/924584629.db2.gz ARGBJXXKSCNGPM-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001397547173 924587680 /nfs/dbraw/zinc/58/76/80/924587680.db2.gz WOMSYOLDTCLXSH-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](O)COC ZINC001397559185 924588431 /nfs/dbraw/zinc/58/84/31/924588431.db2.gz PSXJBYVAWCRYKQ-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)COC ZINC001397559185 924588439 /nfs/dbraw/zinc/58/84/39/924588439.db2.gz PSXJBYVAWCRYKQ-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001397571620 924591043 /nfs/dbraw/zinc/59/10/43/924591043.db2.gz HDZAUCLEFYOBRP-NWDGAFQWSA-N 1 1 312.374 -1.397 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)C1 ZINC001397656153 924594948 /nfs/dbraw/zinc/59/49/48/924594948.db2.gz ICABNSRFMASWTJ-LLVKDONJSA-N 1 1 322.369 -1.175 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001397657027 924595531 /nfs/dbraw/zinc/59/55/31/924595531.db2.gz XWZZKPKZENRFJN-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO COCCC(=O)NCc1nc(C[NH2+][C@@H](C)C(N)=O)cc(=O)[nH]1 ZINC001397733536 924596788 /nfs/dbraw/zinc/59/67/88/924596788.db2.gz QQOMUIMRHRKGMQ-QMMMGPOBSA-N 1 1 311.342 -1.202 20 0 DAADMO COCCC(=O)NCc1nc(C[NH2+][C@H](C)C(N)=O)cc(=O)[nH]1 ZINC001397733530 924596978 /nfs/dbraw/zinc/59/69/78/924596978.db2.gz QQOMUIMRHRKGMQ-MRVPVSSYSA-N 1 1 311.342 -1.202 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCO ZINC001397738818 924597056 /nfs/dbraw/zinc/59/70/56/924597056.db2.gz FBOQYWXWWIFQBB-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@@H+]1CC(=O)NC ZINC001397759421 924598094 /nfs/dbraw/zinc/59/80/94/924598094.db2.gz WNOFGTLGFIGXGI-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@H+]1CC(=O)NC ZINC001397759421 924598100 /nfs/dbraw/zinc/59/81/00/924598100.db2.gz WNOFGTLGFIGXGI-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001397777260 924598833 /nfs/dbraw/zinc/59/88/33/924598833.db2.gz NDRLCVLNBFRXNY-JTQLQIEISA-N 1 1 311.346 -2.556 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001397777260 924598838 /nfs/dbraw/zinc/59/88/38/924598838.db2.gz NDRLCVLNBFRXNY-JTQLQIEISA-N 1 1 311.346 -2.556 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNC(=O)Cn1cnnn1 ZINC001397746138 924599004 /nfs/dbraw/zinc/59/90/04/924599004.db2.gz SKAMAIPAQRBUHG-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001397780439 924599232 /nfs/dbraw/zinc/59/92/32/924599232.db2.gz UDXXROQHZBOUQC-GFCCVEGCSA-N 1 1 309.370 -1.346 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001397780439 924599241 /nfs/dbraw/zinc/59/92/41/924599241.db2.gz UDXXROQHZBOUQC-GFCCVEGCSA-N 1 1 309.370 -1.346 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001397757663 924599350 /nfs/dbraw/zinc/59/93/50/924599350.db2.gz AKTHDZPSPYFLFL-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001397757663 924599356 /nfs/dbraw/zinc/59/93/56/924599356.db2.gz AKTHDZPSPYFLFL-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001397787489 924600002 /nfs/dbraw/zinc/60/00/02/924600002.db2.gz VLQLNCBWSVZDND-DGCLKSJQSA-N 1 1 301.387 -1.226 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001397787489 924600007 /nfs/dbraw/zinc/60/00/07/924600007.db2.gz VLQLNCBWSVZDND-DGCLKSJQSA-N 1 1 301.387 -1.226 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001397780448 924600112 /nfs/dbraw/zinc/60/01/12/924600112.db2.gz UDXXROQHZBOUQC-LBPRGKRZSA-N 1 1 309.370 -1.346 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC001397780448 924600118 /nfs/dbraw/zinc/60/01/18/924600118.db2.gz UDXXROQHZBOUQC-LBPRGKRZSA-N 1 1 309.370 -1.346 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001397786121 924600846 /nfs/dbraw/zinc/60/08/46/924600846.db2.gz FVZQBLQTXQXCHM-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001397800492 924601003 /nfs/dbraw/zinc/60/10/03/924601003.db2.gz CPHVQCROZNWZNL-ADEWGFFLSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001397800492 924601009 /nfs/dbraw/zinc/60/10/09/924601009.db2.gz CPHVQCROZNWZNL-ADEWGFFLSA-N 1 1 323.397 -1.227 20 0 DAADMO CCn1cc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(N)=O)C2)nn1 ZINC001397791645 924601051 /nfs/dbraw/zinc/60/10/51/924601051.db2.gz VWYJIJGBBBAKNW-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(N)=O)C2)nn1 ZINC001397791645 924601056 /nfs/dbraw/zinc/60/10/56/924601056.db2.gz VWYJIJGBBBAKNW-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO O=C(Cn1cnnn1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001397810710 924601407 /nfs/dbraw/zinc/60/14/07/924601407.db2.gz ISSZYPMVJHBYAW-UHFFFAOYSA-N 1 1 312.374 -1.659 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001397810854 924601551 /nfs/dbraw/zinc/60/15/51/924601551.db2.gz JNNRMWVSMXEXQU-WCQYABFASA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001397835286 924603069 /nfs/dbraw/zinc/60/30/69/924603069.db2.gz UDKMZVHCLWHLNB-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001397839142 924603118 /nfs/dbraw/zinc/60/31/18/924603118.db2.gz YVCDZMPGOBHFFR-PUSIOWJLSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001397865188 924604356 /nfs/dbraw/zinc/60/43/56/924604356.db2.gz RWGWEYKAEUOXAD-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001397865182 924604827 /nfs/dbraw/zinc/60/48/27/924604827.db2.gz RWGWEYKAEUOXAD-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ncccn1 ZINC001397885230 924606281 /nfs/dbraw/zinc/60/62/81/924606281.db2.gz MIJSFVDEIVLMSU-NSHDSACASA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ncccn1 ZINC001397885230 924606285 /nfs/dbraw/zinc/60/62/85/924606285.db2.gz MIJSFVDEIVLMSU-NSHDSACASA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397934410 924613218 /nfs/dbraw/zinc/61/32/18/924613218.db2.gz DNPSRJTWPOZGQV-NWDGAFQWSA-N 1 1 310.398 -1.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001398009011 924619229 /nfs/dbraw/zinc/61/92/29/924619229.db2.gz GKUSSKBCNHPABB-SNVBAGLBSA-N 1 1 308.342 -1.552 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001398095017 924624950 /nfs/dbraw/zinc/62/49/50/924624950.db2.gz PEFBFZYTKXRBFQ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001398094022 924625206 /nfs/dbraw/zinc/62/52/06/924625206.db2.gz KKCIZRZOQFVXCM-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)C(=O)Cn1cnnn1 ZINC001398108002 924626419 /nfs/dbraw/zinc/62/64/19/924626419.db2.gz FRMVTXSXAIWZIX-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CNC(N)=O)C1 ZINC001398165688 924627626 /nfs/dbraw/zinc/62/76/26/924627626.db2.gz DHNDJUOJHAIUAH-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001398186582 924628203 /nfs/dbraw/zinc/62/82/03/924628203.db2.gz MQAUEBJFKTVUMT-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001398242039 924629275 /nfs/dbraw/zinc/62/92/75/924629275.db2.gz ZOKBDLYVQSSAFX-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001398242039 924629281 /nfs/dbraw/zinc/62/92/81/924629281.db2.gz ZOKBDLYVQSSAFX-DTWKUNHWSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001398242041 924629329 /nfs/dbraw/zinc/62/93/29/924629329.db2.gz ZOKBDLYVQSSAFX-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001398242041 924629332 /nfs/dbraw/zinc/62/93/32/924629332.db2.gz ZOKBDLYVQSSAFX-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001398245712 924629455 /nfs/dbraw/zinc/62/94/55/924629455.db2.gz YDKZFPPKNIUOPJ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001398245712 924629462 /nfs/dbraw/zinc/62/94/62/924629462.db2.gz YDKZFPPKNIUOPJ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001398275908 924633866 /nfs/dbraw/zinc/63/38/66/924633866.db2.gz IRAFKDSAGARIGF-LBPRGKRZSA-N 1 1 312.370 -1.828 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001398275908 924633878 /nfs/dbraw/zinc/63/38/78/924633878.db2.gz IRAFKDSAGARIGF-LBPRGKRZSA-N 1 1 312.370 -1.828 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001398283430 924633976 /nfs/dbraw/zinc/63/39/76/924633976.db2.gz CVWCFINPWIMLGU-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001398283430 924633982 /nfs/dbraw/zinc/63/39/82/924633982.db2.gz CVWCFINPWIMLGU-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001398286033 924634059 /nfs/dbraw/zinc/63/40/59/924634059.db2.gz BRQAKQCALOCCNX-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001398286033 924634063 /nfs/dbraw/zinc/63/40/63/924634063.db2.gz BRQAKQCALOCCNX-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309365 924635623 /nfs/dbraw/zinc/63/56/23/924635623.db2.gz MOGWZMVTHDPURM-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001398309365 924635626 /nfs/dbraw/zinc/63/56/26/924635626.db2.gz MOGWZMVTHDPURM-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001398319939 924636224 /nfs/dbraw/zinc/63/62/24/924636224.db2.gz BBZXIHUBPQJXSO-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001398319939 924636232 /nfs/dbraw/zinc/63/62/32/924636232.db2.gz BBZXIHUBPQJXSO-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001398294970 924636923 /nfs/dbraw/zinc/63/69/23/924636923.db2.gz VHWSENXODZIHQD-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001398294970 924636928 /nfs/dbraw/zinc/63/69/28/924636928.db2.gz VHWSENXODZIHQD-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398334198 924637962 /nfs/dbraw/zinc/63/79/62/924637962.db2.gz PPDKBBWIXPCOGI-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329083 924638662 /nfs/dbraw/zinc/63/86/62/924638662.db2.gz KOAHLEHWNTWHDG-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001398329083 924638668 /nfs/dbraw/zinc/63/86/68/924638668.db2.gz KOAHLEHWNTWHDG-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001398330999 924638962 /nfs/dbraw/zinc/63/89/62/924638962.db2.gz GSLWJWSDLRBZPZ-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]([NH2+]Cc1cnn(C)n1)C1CC1 ZINC001398390859 924640061 /nfs/dbraw/zinc/64/00/61/924640061.db2.gz DZNOQTCXQZNYER-KWQFWETISA-N 1 1 309.374 -1.144 20 0 DAADMO Cn1cc(C[NH2+][C@H](CNC(=O)[C@@H]2COC(=O)N2)C2CC2)nn1 ZINC001398399403 924640557 /nfs/dbraw/zinc/64/05/57/924640557.db2.gz KRRKNCLCBKMEMJ-MNOVXSKESA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1cnnn1C)C1CC1 ZINC001398388224 924640952 /nfs/dbraw/zinc/64/09/52/924640952.db2.gz BNOROXVPQFLKTK-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001398458042 924642250 /nfs/dbraw/zinc/64/22/50/924642250.db2.gz SJGKUNICGIEJTI-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO Cn1cnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001398440558 924643338 /nfs/dbraw/zinc/64/33/38/924643338.db2.gz UUNVGJMUXLBUOY-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO CO[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCOC1 ZINC001398555548 924650037 /nfs/dbraw/zinc/65/00/37/924650037.db2.gz DRMKOLQGYXLZHV-MRBYEJRBSA-N 1 1 324.385 -1.002 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001398586725 924652228 /nfs/dbraw/zinc/65/22/28/924652228.db2.gz MHNZDONAYWAJKJ-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398603767 924655559 /nfs/dbraw/zinc/65/55/59/924655559.db2.gz ITXQJPJNHUWXDV-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCS(C)(=O)=O)C2)nn1 ZINC001398621617 924657103 /nfs/dbraw/zinc/65/71/03/924657103.db2.gz JGVMIDMIVABALD-AOOOYVTPSA-N 1 1 315.399 -1.013 20 0 DAADMO NC(=O)NCCC(=O)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001398647959 924659986 /nfs/dbraw/zinc/65/99/86/924659986.db2.gz MJOKCAKUJQMRGD-HNNXBMFYSA-N 1 1 323.397 -1.142 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CCNC(=O)NC)C1 ZINC001398654242 924661926 /nfs/dbraw/zinc/66/19/26/924661926.db2.gz BMEVSTFEAFMVRN-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001398689965 924663386 /nfs/dbraw/zinc/66/33/86/924663386.db2.gz PJUQNMMRLKSNOF-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001398728526 924667219 /nfs/dbraw/zinc/66/72/19/924667219.db2.gz CEPADUKWNKOEMU-QWHCGFSZSA-N 1 1 313.398 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001398728526 924667223 /nfs/dbraw/zinc/66/72/23/924667223.db2.gz CEPADUKWNKOEMU-QWHCGFSZSA-N 1 1 313.398 -1.092 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398713869 924667287 /nfs/dbraw/zinc/66/72/87/924667287.db2.gz VKADAABYEKYRHX-NSHDSACASA-N 1 1 324.385 -1.355 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398713869 924667290 /nfs/dbraw/zinc/66/72/90/924667290.db2.gz VKADAABYEKYRHX-NSHDSACASA-N 1 1 324.385 -1.355 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398753778 924669555 /nfs/dbraw/zinc/66/95/55/924669555.db2.gz IJJAYRUKXWEBJE-LLVKDONJSA-N 1 1 323.397 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001398791267 924672268 /nfs/dbraw/zinc/67/22/68/924672268.db2.gz KBFCULHGYVDMDO-NSHDSACASA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001398789106 924672525 /nfs/dbraw/zinc/67/25/25/924672525.db2.gz RZLNETALKOMIFW-JTQLQIEISA-N 1 1 311.386 -1.429 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001398805929 924673181 /nfs/dbraw/zinc/67/31/81/924673181.db2.gz OIQICMIMJAGKSS-MOWSAHLDSA-N 1 1 313.398 -1.045 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001398809423 924673440 /nfs/dbraw/zinc/67/34/40/924673440.db2.gz OFXBHLKGNXPIFL-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001398800742 924673768 /nfs/dbraw/zinc/67/37/68/924673768.db2.gz ZPYHZXDADRYNJA-UHFFFAOYSA-N 1 1 319.427 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001398813564 924673850 /nfs/dbraw/zinc/67/38/50/924673850.db2.gz NAGNVEXULUERFW-GCHJQGSQSA-N 1 1 312.370 -1.936 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nnn(C)n1 ZINC001398839075 924675683 /nfs/dbraw/zinc/67/56/83/924675683.db2.gz WZUSLPGNANGEED-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925521 924679075 /nfs/dbraw/zinc/67/90/75/924679075.db2.gz XDSRUYSBGVPDKO-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925521 924679080 /nfs/dbraw/zinc/67/90/80/924679080.db2.gz XDSRUYSBGVPDKO-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925517 924679167 /nfs/dbraw/zinc/67/91/67/924679167.db2.gz XDSRUYSBGVPDKO-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001398925517 924679172 /nfs/dbraw/zinc/67/91/72/924679172.db2.gz XDSRUYSBGVPDKO-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001398921813 924679428 /nfs/dbraw/zinc/67/94/28/924679428.db2.gz YAUGRJDKFQABGV-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001398933423 924679574 /nfs/dbraw/zinc/67/95/74/924679574.db2.gz WSVYBDDFKPKZJH-BDAKNGLRSA-N 1 1 324.341 -1.489 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001398947677 924680772 /nfs/dbraw/zinc/68/07/72/924680772.db2.gz GUZHWBJNYDOUPN-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001398974713 924682026 /nfs/dbraw/zinc/68/20/26/924682026.db2.gz HPSQNQONLJPCFV-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001398974709 924683098 /nfs/dbraw/zinc/68/30/98/924683098.db2.gz HPSQNQONLJPCFV-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001398988335 924683921 /nfs/dbraw/zinc/68/39/21/924683921.db2.gz TXSITMBNHCBNNA-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001399016665 924684899 /nfs/dbraw/zinc/68/48/99/924684899.db2.gz CBUCWUVHFUFIEJ-VHSXEESVSA-N 1 1 317.415 -1.048 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001399016658 924685117 /nfs/dbraw/zinc/68/51/17/924685117.db2.gz CBUCWUVHFUFIEJ-UWVGGRQHSA-N 1 1 317.415 -1.048 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001399044069 924685826 /nfs/dbraw/zinc/68/58/26/924685826.db2.gz YKEBKQIEULKDGB-CBAPKCEASA-N 1 1 319.387 -1.090 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cn(C)nn1 ZINC001399109886 924689652 /nfs/dbraw/zinc/68/96/52/924689652.db2.gz UVUMLWQQOVFNEF-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399103872 924689708 /nfs/dbraw/zinc/68/97/08/924689708.db2.gz PDZGLMNNHACURN-UWVGGRQHSA-N 1 1 309.374 -1.044 20 0 DAADMO Cc1ncc(C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)[nH]1 ZINC001399253276 924693007 /nfs/dbraw/zinc/69/30/07/924693007.db2.gz PAOCENDRIJYXRD-SECBINFHSA-N 1 1 308.342 -1.035 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001399222589 924693176 /nfs/dbraw/zinc/69/31/76/924693176.db2.gz KIXNQLWGHAVRBP-NSHDSACASA-N 1 1 309.374 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)C2)n1 ZINC001399237307 924693815 /nfs/dbraw/zinc/69/38/15/924693815.db2.gz WWKNEZBGIQHUHA-JTQLQIEISA-N 1 1 321.385 -1.326 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001399292891 924694632 /nfs/dbraw/zinc/69/46/32/924694632.db2.gz YYFXJCKJTARYMD-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399258035 924694704 /nfs/dbraw/zinc/69/47/04/924694704.db2.gz KWQCSYVESUYEOG-UWVGGRQHSA-N 1 1 324.389 -1.344 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001399281645 924695237 /nfs/dbraw/zinc/69/52/37/924695237.db2.gz DXCYCHPZRKZKKX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001399281645 924695242 /nfs/dbraw/zinc/69/52/42/924695242.db2.gz DXCYCHPZRKZKKX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399360575 924698256 /nfs/dbraw/zinc/69/82/56/924698256.db2.gz STZJKJZIMITSQE-MWLCHTKSSA-N 1 1 324.385 -1.074 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399360575 924698266 /nfs/dbraw/zinc/69/82/66/924698266.db2.gz STZJKJZIMITSQE-MWLCHTKSSA-N 1 1 324.385 -1.074 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399360525 924698406 /nfs/dbraw/zinc/69/84/06/924698406.db2.gz STZJKJZIMITSQE-GXSJLCMTSA-N 1 1 324.385 -1.074 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399360525 924698416 /nfs/dbraw/zinc/69/84/16/924698416.db2.gz STZJKJZIMITSQE-GXSJLCMTSA-N 1 1 324.385 -1.074 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399334346 924698876 /nfs/dbraw/zinc/69/88/76/924698876.db2.gz FDLGCTUJAKFRJH-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO COCCC(=O)NCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001399441948 924703079 /nfs/dbraw/zinc/70/30/79/924703079.db2.gz YJDYMNUDBQLCFB-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO COCCC(=O)NCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001399441948 924703087 /nfs/dbraw/zinc/70/30/87/924703087.db2.gz YJDYMNUDBQLCFB-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CCn1cccn1 ZINC001399479397 924703293 /nfs/dbraw/zinc/70/32/93/924703293.db2.gz BRKWTWFIWKEXNY-UHFFFAOYSA-N 1 1 320.357 -1.678 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001399434913 924703801 /nfs/dbraw/zinc/70/38/01/924703801.db2.gz GQHXMQMVIIFVKD-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001399434913 924703810 /nfs/dbraw/zinc/70/38/10/924703810.db2.gz GQHXMQMVIIFVKD-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1cnnn1C ZINC001399478681 924704080 /nfs/dbraw/zinc/70/40/80/924704080.db2.gz AEELNBOJHMWUKH-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1cnnn1C ZINC001399478681 924704083 /nfs/dbraw/zinc/70/40/83/924704083.db2.gz AEELNBOJHMWUKH-UHFFFAOYSA-N 1 1 318.403 -1.584 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001399438441 924704268 /nfs/dbraw/zinc/70/42/68/924704268.db2.gz NVDFGRPGOZQNRB-MNOVXSKESA-N 1 1 312.370 -1.131 20 0 DAADMO C[N@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(=O)NC(N)=O ZINC001399500889 924706014 /nfs/dbraw/zinc/70/60/14/924706014.db2.gz IIECNFRACTZHGJ-UHFFFAOYSA-N 1 1 310.314 -1.868 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc2n(n1)CCO2)CC(=O)NC(N)=O ZINC001399500889 924706020 /nfs/dbraw/zinc/70/60/20/924706020.db2.gz IIECNFRACTZHGJ-UHFFFAOYSA-N 1 1 310.314 -1.868 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC001399484262 924706242 /nfs/dbraw/zinc/70/62/42/924706242.db2.gz NQDDBDQGXHOHFJ-VXGBXAGGSA-N 1 1 320.459 -1.076 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001399481523 924706423 /nfs/dbraw/zinc/70/64/23/924706423.db2.gz JONGPRYUMWLQHO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1ccn(C)n1 ZINC001399481523 924706429 /nfs/dbraw/zinc/70/64/29/924706429.db2.gz JONGPRYUMWLQHO-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399491379 924706670 /nfs/dbraw/zinc/70/66/70/924706670.db2.gz ZCQVMSYYAPKMII-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001399491379 924706677 /nfs/dbraw/zinc/70/66/77/924706677.db2.gz ZCQVMSYYAPKMII-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001399499689 924706835 /nfs/dbraw/zinc/70/68/35/924706835.db2.gz ZKZIYFODUZIQRG-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)nn1 ZINC001399491087 924706975 /nfs/dbraw/zinc/70/69/75/924706975.db2.gz VXGXWVBSQXPJKZ-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)nn1 ZINC001399491087 924706980 /nfs/dbraw/zinc/70/69/80/924706980.db2.gz VXGXWVBSQXPJKZ-UHFFFAOYSA-N 1 1 304.376 -1.974 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001399545978 924707824 /nfs/dbraw/zinc/70/78/24/924707824.db2.gz WHGCDBQQAZOJCA-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001399545978 924707827 /nfs/dbraw/zinc/70/78/27/924707827.db2.gz WHGCDBQQAZOJCA-ZJUUUORDSA-N 1 1 322.356 -1.126 20 0 DAADMO COc1nc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)co1 ZINC001399520679 924707944 /nfs/dbraw/zinc/70/79/44/924707944.db2.gz DOJXEFSNLHQBSJ-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)co1 ZINC001399520679 924707950 /nfs/dbraw/zinc/70/79/50/924707950.db2.gz DOJXEFSNLHQBSJ-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCCCO1 ZINC001399545599 924709562 /nfs/dbraw/zinc/70/95/62/924709562.db2.gz UTEPRCSYNBRXDN-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO COc1ccc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)nn1 ZINC001399613230 924712105 /nfs/dbraw/zinc/71/21/05/924712105.db2.gz MZKAPWFBPONPPR-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ccc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)nn1 ZINC001399613230 924712110 /nfs/dbraw/zinc/71/21/10/924712110.db2.gz MZKAPWFBPONPPR-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001399654074 924713037 /nfs/dbraw/zinc/71/30/37/924713037.db2.gz HXIKZWPHTCUISI-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001399654074 924713043 /nfs/dbraw/zinc/71/30/43/924713043.db2.gz HXIKZWPHTCUISI-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+](C)CCF ZINC001399635149 924713069 /nfs/dbraw/zinc/71/30/69/924713069.db2.gz SEUPPTRTWZYFKW-VIFPVBQESA-N 1 1 301.326 -1.805 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+](C)CCF ZINC001399635149 924713076 /nfs/dbraw/zinc/71/30/76/924713076.db2.gz SEUPPTRTWZYFKW-VIFPVBQESA-N 1 1 301.326 -1.805 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)c(=O)n1C ZINC001399645468 924713484 /nfs/dbraw/zinc/71/34/84/924713484.db2.gz IJDFDWBSPLTQIF-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)c(=O)n1C ZINC001399645468 924713495 /nfs/dbraw/zinc/71/34/95/924713495.db2.gz IJDFDWBSPLTQIF-NSHDSACASA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001399660173 924715307 /nfs/dbraw/zinc/71/53/07/924715307.db2.gz WLCWUICWDZBBAE-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001399660173 924715311 /nfs/dbraw/zinc/71/53/11/924715311.db2.gz WLCWUICWDZBBAE-DTWKUNHWSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nonc1C ZINC001399656906 924716253 /nfs/dbraw/zinc/71/62/53/924716253.db2.gz UGLDFDOBVZJRMZ-MRVPVSSYSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nonc1C ZINC001399656906 924716259 /nfs/dbraw/zinc/71/62/59/924716259.db2.gz UGLDFDOBVZJRMZ-MRVPVSSYSA-N 1 1 312.330 -1.116 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001399660172 924716337 /nfs/dbraw/zinc/71/63/37/924716337.db2.gz WLCWUICWDZBBAE-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001399660172 924716341 /nfs/dbraw/zinc/71/63/41/924716341.db2.gz WLCWUICWDZBBAE-BDAKNGLRSA-N 1 1 306.388 -2.139 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)c1ccccn1)[C@@H]1CCNC1=O ZINC001399673383 924716422 /nfs/dbraw/zinc/71/64/22/924716422.db2.gz UWNBYBZEOVNANB-GFCCVEGCSA-N 1 1 319.365 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)c1ccccn1)[C@@H]1CCNC1=O ZINC001399673383 924716429 /nfs/dbraw/zinc/71/64/29/924716429.db2.gz UWNBYBZEOVNANB-GFCCVEGCSA-N 1 1 319.365 -1.252 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCCNC1=O ZINC001399656555 924716454 /nfs/dbraw/zinc/71/64/54/924716454.db2.gz JKDWHLXRYVOKJG-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCCNC1=O ZINC001399656555 924716462 /nfs/dbraw/zinc/71/64/62/924716462.db2.gz JKDWHLXRYVOKJG-VHSXEESVSA-N 1 1 318.399 -1.995 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@H](C)NC(N)=O ZINC001399695719 924717482 /nfs/dbraw/zinc/71/74/82/924717482.db2.gz BFQWFNSBXVCBDU-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(N)=O ZINC001399695719 924717490 /nfs/dbraw/zinc/71/74/90/924717490.db2.gz BFQWFNSBXVCBDU-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001399681239 924718057 /nfs/dbraw/zinc/71/80/57/924718057.db2.gz WWXLRPKBWLALGB-NSHDSACASA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001399681239 924718065 /nfs/dbraw/zinc/71/80/65/924718065.db2.gz WWXLRPKBWLALGB-NSHDSACASA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001399681238 924718477 /nfs/dbraw/zinc/71/84/77/924718477.db2.gz WWXLRPKBWLALGB-LLVKDONJSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1ncn(C)n1 ZINC001399681238 924718486 /nfs/dbraw/zinc/71/84/86/924718486.db2.gz WWXLRPKBWLALGB-LLVKDONJSA-N 1 1 324.385 -1.324 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)NC(N)=O ZINC001399727989 924719324 /nfs/dbraw/zinc/71/93/24/924719324.db2.gz ZZCAUEJZWUSRST-UHFFFAOYSA-N 1 1 324.341 -1.973 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)CC(=O)NC(N)=O ZINC001399727989 924719331 /nfs/dbraw/zinc/71/93/31/924719331.db2.gz ZZCAUEJZWUSRST-UHFFFAOYSA-N 1 1 324.341 -1.973 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(-n2cnnn2)cn1)CC(N)=O ZINC001399730791 924719489 /nfs/dbraw/zinc/71/94/89/924719489.db2.gz RJOJSZRLJVFCRA-UHFFFAOYSA-N 1 1 318.341 -1.406 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(-n2cnnn2)cn1)CC(N)=O ZINC001399730791 924719498 /nfs/dbraw/zinc/71/94/98/924719498.db2.gz RJOJSZRLJVFCRA-UHFFFAOYSA-N 1 1 318.341 -1.406 20 0 DAADMO CC[N@H+](CCNC(=O)c1c(C)ncn1C)CC(=O)NC(N)=O ZINC001399725275 924720052 /nfs/dbraw/zinc/72/00/52/924720052.db2.gz RDHHHTCZSJLMMX-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c(C)ncn1C)CC(=O)NC(N)=O ZINC001399725275 924720062 /nfs/dbraw/zinc/72/00/62/924720062.db2.gz RDHHHTCZSJLMMX-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1ccnn1C ZINC001399727702 924720158 /nfs/dbraw/zinc/72/01/58/924720158.db2.gz VHLKVWSDLSDFTJ-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)Cc1ccnn1C ZINC001399727702 924720163 /nfs/dbraw/zinc/72/01/63/924720163.db2.gz VHLKVWSDLSDFTJ-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccn2nnnc12)CC(=O)NC ZINC001399727543 924720640 /nfs/dbraw/zinc/72/06/40/924720640.db2.gz XFXIVFKNTPQSOV-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccn2nnnc12)CC(=O)NC ZINC001399727543 924720647 /nfs/dbraw/zinc/72/06/47/924720647.db2.gz XFXIVFKNTPQSOV-UHFFFAOYSA-N 1 1 305.342 -1.078 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001399727175 924720775 /nfs/dbraw/zinc/72/07/75/924720775.db2.gz SYPZJLCCZBIMRQ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001399727175 924720787 /nfs/dbraw/zinc/72/07/87/924720787.db2.gz SYPZJLCCZBIMRQ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399755639 924723379 /nfs/dbraw/zinc/72/33/79/924723379.db2.gz FGAGLFBAAIKUIT-MNOVXSKESA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399755639 924723392 /nfs/dbraw/zinc/72/33/92/924723392.db2.gz FGAGLFBAAIKUIT-MNOVXSKESA-N 1 1 316.358 -2.954 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766591 924724404 /nfs/dbraw/zinc/72/44/04/924724404.db2.gz YUEXZLJPVKTXNY-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C(C)(F)F)C1 ZINC001399766591 924724407 /nfs/dbraw/zinc/72/44/07/924724407.db2.gz YUEXZLJPVKTXNY-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001399764729 924724750 /nfs/dbraw/zinc/72/47/50/924724750.db2.gz BUNCQNCSJZZEQA-MNOVXSKESA-N 1 1 313.354 -1.438 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399769846 924725148 /nfs/dbraw/zinc/72/51/48/924725148.db2.gz FXGQRZAANMCEIF-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399769846 924725155 /nfs/dbraw/zinc/72/51/55/924725155.db2.gz FXGQRZAANMCEIF-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001399769869 924725347 /nfs/dbraw/zinc/72/53/47/924725347.db2.gz FXGQRZAANMCEIF-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001399769869 924725356 /nfs/dbraw/zinc/72/53/56/924725356.db2.gz FXGQRZAANMCEIF-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C(=O)NC ZINC001399774504 924726850 /nfs/dbraw/zinc/72/68/50/924726850.db2.gz MOIANCKQGRWTGE-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)C(=O)NC ZINC001399774504 924726859 /nfs/dbraw/zinc/72/68/59/924726859.db2.gz MOIANCKQGRWTGE-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399783085 924728162 /nfs/dbraw/zinc/72/81/62/924728162.db2.gz MHPTTZQJUCAOID-NEPJUHHUSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2ccon2)C1 ZINC001399801191 924732058 /nfs/dbraw/zinc/73/20/58/924732058.db2.gz GKSIYPRQXSCYNP-CMPLNLGQSA-N 1 1 310.354 -1.238 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2ccon2)C1 ZINC001399801195 924732268 /nfs/dbraw/zinc/73/22/68/924732268.db2.gz GKSIYPRQXSCYNP-JQWIXIFHSA-N 1 1 310.354 -1.238 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001399801332 924732682 /nfs/dbraw/zinc/73/26/82/924732682.db2.gz TXJCKVWFNKVVBF-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399801969 924733633 /nfs/dbraw/zinc/73/36/33/924733633.db2.gz PBXDHJIAQBCSDK-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cn1nccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399802882 924733933 /nfs/dbraw/zinc/73/39/33/924733933.db2.gz NOGGZLQBNOKLKG-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001399806691 924734769 /nfs/dbraw/zinc/73/47/69/924734769.db2.gz ZFWHGQVZLKBMSB-GFCCVEGCSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)C1 ZINC001399807139 924734875 /nfs/dbraw/zinc/73/48/75/924734875.db2.gz UMGWDKLDAMFAGI-PWSUYJOCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnsn2)C1 ZINC001399805920 924735291 /nfs/dbraw/zinc/73/52/91/924735291.db2.gz VAHHZSNYBUEOBL-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001399806692 924735337 /nfs/dbraw/zinc/73/53/37/924735337.db2.gz ZFWHGQVZLKBMSB-LBPRGKRZSA-N 1 1 311.386 -1.033 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001399821787 924737580 /nfs/dbraw/zinc/73/75/80/924737580.db2.gz FJGJEEFQONTFOI-PWSUYJOCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001399816593 924737700 /nfs/dbraw/zinc/73/77/00/924737700.db2.gz XNEARBCXKDTHGL-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399814670 924737728 /nfs/dbraw/zinc/73/77/28/924737728.db2.gz VORZBJLYWWWRIG-QWRGUYRKSA-N 1 1 314.386 -1.942 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001399817302 924737938 /nfs/dbraw/zinc/73/79/38/924737938.db2.gz YPZLHYRNRNFJKA-JQWIXIFHSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001399817542 924738135 /nfs/dbraw/zinc/73/81/35/924738135.db2.gz BVYRHEAHOWKZQE-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001399816581 924738533 /nfs/dbraw/zinc/73/85/33/924738533.db2.gz XNEARBCXKDTHGL-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399814674 924738863 /nfs/dbraw/zinc/73/88/63/924738863.db2.gz VORZBJLYWWWRIG-WDEREUQCSA-N 1 1 314.386 -1.942 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)[C@H](C)C(=O)NC ZINC001399817541 924738908 /nfs/dbraw/zinc/73/89/08/924738908.db2.gz GXRSDUZBNBSSPY-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)[C@H](C)C(=O)NC ZINC001399817541 924738917 /nfs/dbraw/zinc/73/89/17/924738917.db2.gz GXRSDUZBNBSSPY-SNVBAGLBSA-N 1 1 311.386 -1.090 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001399813027 924739088 /nfs/dbraw/zinc/73/90/88/924739088.db2.gz QLNFFYYCOOOZNJ-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001399816572 924739113 /nfs/dbraw/zinc/73/91/13/924739113.db2.gz XNEARBCXKDTHGL-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)CC[N@H+]1C ZINC001399825531 924739477 /nfs/dbraw/zinc/73/94/77/924739477.db2.gz AWSIFEPGVBYQCE-KGYLQXTDSA-N 1 1 323.397 -1.114 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001399827477 924739791 /nfs/dbraw/zinc/73/97/91/924739791.db2.gz LYWZIFBDAOHBDA-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cccn1 ZINC001399827477 924739800 /nfs/dbraw/zinc/73/98/00/924739800.db2.gz LYWZIFBDAOHBDA-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)c1ccccn1)CC(=O)NC ZINC001399826297 924739817 /nfs/dbraw/zinc/73/98/17/924739817.db2.gz UKSUWZUYCGAPIG-UHFFFAOYSA-N 1 1 321.381 -1.005 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)c1ccccn1)CC(=O)NC ZINC001399826297 924739821 /nfs/dbraw/zinc/73/98/21/924739821.db2.gz UKSUWZUYCGAPIG-UHFFFAOYSA-N 1 1 321.381 -1.005 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399823886 924740149 /nfs/dbraw/zinc/74/01/49/924740149.db2.gz ABNORMJFSSZVCO-YPMHNXCESA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399827896 924740523 /nfs/dbraw/zinc/74/05/23/924740523.db2.gz LUBKVULKISIDDM-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001399831616 924741469 /nfs/dbraw/zinc/74/14/69/924741469.db2.gz VXALYVXUINOOHR-GFCCVEGCSA-N 1 1 320.459 -1.075 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccnnc2)C1 ZINC001399845072 924742842 /nfs/dbraw/zinc/74/28/42/924742842.db2.gz DWSOLQJMYBFAHZ-NWDGAFQWSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844758 924742994 /nfs/dbraw/zinc/74/29/94/924742994.db2.gz SCAMQNFMHLZCPW-NXEZZACHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844758 924742997 /nfs/dbraw/zinc/74/29/97/924742997.db2.gz SCAMQNFMHLZCPW-NXEZZACHSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCCF)C1 ZINC001399846592 924744713 /nfs/dbraw/zinc/74/47/13/924744713.db2.gz VAGWWPFSWLJZTO-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCCF)C1 ZINC001399846592 924744719 /nfs/dbraw/zinc/74/47/19/924744719.db2.gz VAGWWPFSWLJZTO-WDEREUQCSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399850799 924745324 /nfs/dbraw/zinc/74/53/24/924745324.db2.gz XMGFDBWCPWODDG-JQWIXIFHSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001399847851 924745665 /nfs/dbraw/zinc/74/56/65/924745665.db2.gz GSTTXSDSPFSQGI-ZDUSSCGKSA-N 1 1 324.381 -1.056 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853105 924747325 /nfs/dbraw/zinc/74/73/25/924747325.db2.gz FPQIGHPDVQSTBY-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001399853105 924747333 /nfs/dbraw/zinc/74/73/33/924747333.db2.gz FPQIGHPDVQSTBY-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001399851093 924747386 /nfs/dbraw/zinc/74/73/86/924747386.db2.gz DTHDMCQZVQEKQJ-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399861681 924747935 /nfs/dbraw/zinc/74/79/35/924747935.db2.gz CKHKMZJBJZKYSH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399861681 924747941 /nfs/dbraw/zinc/74/79/41/924747941.db2.gz CKHKMZJBJZKYSH-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001399868367 924750043 /nfs/dbraw/zinc/75/00/43/924750043.db2.gz KODVUEKGSJLTEL-GHMZBOCLSA-N 1 1 311.386 -1.227 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001399868367 924750052 /nfs/dbraw/zinc/75/00/52/924750052.db2.gz KODVUEKGSJLTEL-GHMZBOCLSA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001399867748 924750253 /nfs/dbraw/zinc/75/02/53/924750253.db2.gz UNQXGLDCZHWHAE-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001399867748 924750259 /nfs/dbraw/zinc/75/02/59/924750259.db2.gz UNQXGLDCZHWHAE-NEPJUHHUSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001399869816 924750672 /nfs/dbraw/zinc/75/06/72/924750672.db2.gz FAKYNDYGSFYLQF-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869816 924750679 /nfs/dbraw/zinc/75/06/79/924750679.db2.gz FAKYNDYGSFYLQF-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869816 924750682 /nfs/dbraw/zinc/75/06/82/924750682.db2.gz FAKYNDYGSFYLQF-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870076 924750747 /nfs/dbraw/zinc/75/07/47/924750747.db2.gz IGEIENRETOUCDX-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870076 924750753 /nfs/dbraw/zinc/75/07/53/924750753.db2.gz IGEIENRETOUCDX-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@H](O)COC ZINC001399875658 924751913 /nfs/dbraw/zinc/75/19/13/924751913.db2.gz VXPIVVIAEAQWMA-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875918 924752318 /nfs/dbraw/zinc/75/23/18/924752318.db2.gz WPNIDJYRGOHLEF-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001399875918 924752324 /nfs/dbraw/zinc/75/23/24/924752324.db2.gz WPNIDJYRGOHLEF-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001399883811 924753449 /nfs/dbraw/zinc/75/34/49/924753449.db2.gz YLDIPWFTAGUFBH-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001399890318 924753538 /nfs/dbraw/zinc/75/35/38/924753538.db2.gz DXKVBOCYFMDFFE-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399884769 924753682 /nfs/dbraw/zinc/75/36/82/924753682.db2.gz VQIXGDSDMYRLJS-NMKXLXIOSA-N 1 1 313.398 -1.186 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001399890324 924754103 /nfs/dbraw/zinc/75/41/03/924754103.db2.gz DXKVBOCYFMDFFE-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001399889237 924754633 /nfs/dbraw/zinc/75/46/33/924754633.db2.gz FDUKHNQOGKPDCX-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001399902227 924755046 /nfs/dbraw/zinc/75/50/46/924755046.db2.gz YKFYHRBNUOSYEC-STQMWFEESA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001399897295 924755295 /nfs/dbraw/zinc/75/52/95/924755295.db2.gz MWOWOHVYTXESLV-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)Cn1cnnn1 ZINC001399895100 924755407 /nfs/dbraw/zinc/75/54/07/924755407.db2.gz WHFUGFMCSGCQOB-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001399905858 924755656 /nfs/dbraw/zinc/75/56/56/924755656.db2.gz SIUXCZDTPIIAPZ-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001399900503 924755940 /nfs/dbraw/zinc/75/59/40/924755940.db2.gz QOSCJPMEELCFPI-NSHDSACASA-N 1 1 322.431 -1.845 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001399902646 924756242 /nfs/dbraw/zinc/75/62/42/924756242.db2.gz JYDRXPMPTAXZSN-STQMWFEESA-N 1 1 310.398 -1.355 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001399902634 924756658 /nfs/dbraw/zinc/75/66/58/924756658.db2.gz JYDRXPMPTAXZSN-CHWSQXEVSA-N 1 1 310.398 -1.355 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399928079 924757388 /nfs/dbraw/zinc/75/73/88/924757388.db2.gz ISJGYTRMDBQBCL-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399928079 924757397 /nfs/dbraw/zinc/75/73/97/924757397.db2.gz ISJGYTRMDBQBCL-QMMMGPOBSA-N 1 1 309.330 -1.938 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCOC)C1 ZINC001399922997 924757588 /nfs/dbraw/zinc/75/75/88/924757588.db2.gz PMANLOSEFIFNBO-SNVBAGLBSA-N 1 1 308.404 -1.875 20 0 DAADMO C[C@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399927426 924757624 /nfs/dbraw/zinc/75/76/24/924757624.db2.gz OWGDUXLHMYDQEX-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399927426 924757629 /nfs/dbraw/zinc/75/76/29/924757629.db2.gz OWGDUXLHMYDQEX-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399919941 924757991 /nfs/dbraw/zinc/75/79/91/924757991.db2.gz BCHXZBSQWQVKFG-DTWKUNHWSA-N 1 1 306.388 -2.153 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001399927810 924758032 /nfs/dbraw/zinc/75/80/32/924758032.db2.gz KZJLZIKSQLAOBJ-NSHDSACASA-N 1 1 312.370 -1.251 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001399925943 924758104 /nfs/dbraw/zinc/75/81/04/924758104.db2.gz SZHZRGYDBVNQDV-GFCCVEGCSA-N 1 1 319.365 -1.074 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399919945 924758319 /nfs/dbraw/zinc/75/83/19/924758319.db2.gz BCHXZBSQWQVKFG-IUCAKERBSA-N 1 1 306.388 -2.153 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)c(=O)n1C ZINC001399948353 924759088 /nfs/dbraw/zinc/75/90/88/924759088.db2.gz RZAKMRKMSIQMTN-LBPRGKRZSA-N 1 1 311.386 -1.289 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001399930512 924759465 /nfs/dbraw/zinc/75/94/65/924759465.db2.gz WPGIRTOSQIEIEB-GHMZBOCLSA-N 1 1 322.369 -2.092 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001399952439 924760065 /nfs/dbraw/zinc/76/00/65/924760065.db2.gz WMEJNAUDBHWOMG-LBPRGKRZSA-N 1 1 306.370 -1.052 20 0 DAADMO CC(C)c1nnnn1CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399940060 924760163 /nfs/dbraw/zinc/76/01/63/924760163.db2.gz ZPMKHNQMFCFIJY-JTQLQIEISA-N 1 1 309.374 -1.280 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001399930524 924760304 /nfs/dbraw/zinc/76/03/04/924760304.db2.gz WPGIRTOSQIEIEB-WDEREUQCSA-N 1 1 322.369 -2.092 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001399929178 924760500 /nfs/dbraw/zinc/76/05/00/924760500.db2.gz ZNVDTCBEMRQJKJ-ZANVPECISA-N 1 1 316.333 -1.252 20 0 DAADMO CN(C(=O)C[N@H+](CCNC(=O)Cn1cnnn1)C1CC1)C1CC1 ZINC001399989369 924763813 /nfs/dbraw/zinc/76/38/13/924763813.db2.gz NZIHZQWXWRMTTR-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@@H+](CCNC(=O)Cn1cnnn1)C1CC1)C1CC1 ZINC001399989369 924763821 /nfs/dbraw/zinc/76/38/21/924763821.db2.gz NZIHZQWXWRMTTR-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001399999290 924763864 /nfs/dbraw/zinc/76/38/64/924763864.db2.gz RPCJOXMVRPGGCC-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001399999290 924763870 /nfs/dbraw/zinc/76/38/70/924763870.db2.gz RPCJOXMVRPGGCC-LBPRGKRZSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)C1CC1 ZINC001400025295 924764766 /nfs/dbraw/zinc/76/47/66/924764766.db2.gz VXVFXCYOSAWYRU-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001400032453 924765170 /nfs/dbraw/zinc/76/51/70/924765170.db2.gz GUDNFHYIWMSUFF-BDAKNGLRSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001400032453 924765177 /nfs/dbraw/zinc/76/51/77/924765177.db2.gz GUDNFHYIWMSUFF-BDAKNGLRSA-N 1 1 320.415 -1.622 20 0 DAADMO O=C(NCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)C1CC1 ZINC001400025296 924765218 /nfs/dbraw/zinc/76/52/18/924765218.db2.gz VXVFXCYOSAWYRU-LBPRGKRZSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)CC2 ZINC001400023826 924765550 /nfs/dbraw/zinc/76/55/50/924765550.db2.gz PKWUPMWVNTTYPA-JTQLQIEISA-N 1 1 320.397 -1.014 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)CC2 ZINC001400023826 924765554 /nfs/dbraw/zinc/76/55/54/924765554.db2.gz PKWUPMWVNTTYPA-JTQLQIEISA-N 1 1 320.397 -1.014 20 0 DAADMO CCCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001400018861 924766046 /nfs/dbraw/zinc/76/60/46/924766046.db2.gz GBAQUIOINJDHET-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CCCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001400018861 924766054 /nfs/dbraw/zinc/76/60/54/924766054.db2.gz GBAQUIOINJDHET-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001400046819 924767483 /nfs/dbraw/zinc/76/74/83/924767483.db2.gz CARMJZSXBJCHCW-VIFPVBQESA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC001400046817 924767500 /nfs/dbraw/zinc/76/75/00/924767500.db2.gz CARMJZSXBJCHCW-SECBINFHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)CCO1)c1nnnn1C ZINC001400063669 924768771 /nfs/dbraw/zinc/76/87/71/924768771.db2.gz WXLUJSPBGUTCLO-QWRGUYRKSA-N 1 1 311.390 -1.350 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CN(C)CCO1)c1nnnn1C ZINC001400063663 924768840 /nfs/dbraw/zinc/76/88/40/924768840.db2.gz WXLUJSPBGUTCLO-MNOVXSKESA-N 1 1 311.390 -1.350 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)CCO1)c1nnnn1C ZINC001400063677 924769361 /nfs/dbraw/zinc/76/93/61/924769361.db2.gz WXLUJSPBGUTCLO-WDEREUQCSA-N 1 1 311.390 -1.350 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)C[C@H]1CCNC1=O)c1nnnn1C ZINC001400061552 924769380 /nfs/dbraw/zinc/76/93/80/924769380.db2.gz VPESYRPRMPKXBT-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)C[C@H]1CCNC1=O)c1nnnn1C ZINC001400061576 924769457 /nfs/dbraw/zinc/76/94/57/924769457.db2.gz VPESYRPRMPKXBT-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001400094627 924770735 /nfs/dbraw/zinc/77/07/35/924770735.db2.gz GOENLNJFBCFPCS-AOOOYVTPSA-N 1 1 306.388 -2.292 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001400101311 924771226 /nfs/dbraw/zinc/77/12/26/924771226.db2.gz NUXUPQWCPXGYOR-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400147070 924773921 /nfs/dbraw/zinc/77/39/21/924773921.db2.gz NCOZGUKMVRIEKK-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001400152137 924774721 /nfs/dbraw/zinc/77/47/21/924774721.db2.gz FSUXDVJTPIVRCU-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400179851 924775542 /nfs/dbraw/zinc/77/55/42/924775542.db2.gz WHAWAJHGJOTGSR-MNOVXSKESA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001400176403 924775867 /nfs/dbraw/zinc/77/58/67/924775867.db2.gz PMDRJFAGGNVOCZ-VXGBXAGGSA-N 1 1 321.385 -1.212 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001400192162 924778136 /nfs/dbraw/zinc/77/81/36/924778136.db2.gz DTSVDBKOSPZUNN-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001400224874 924778777 /nfs/dbraw/zinc/77/87/77/924778777.db2.gz CDHVLZCPRUXGLE-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400231724 924780629 /nfs/dbraw/zinc/78/06/29/924780629.db2.gz AZWCQWLQQMUYNJ-VXGBXAGGSA-N 1 1 311.386 -1.257 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](C)O)C1 ZINC001400238550 924780731 /nfs/dbraw/zinc/78/07/31/924780731.db2.gz YGSKFCZQVPSELF-QWRGUYRKSA-N 1 1 322.431 -1.799 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](C)O)C1 ZINC001400238557 924780777 /nfs/dbraw/zinc/78/07/77/924780777.db2.gz YGSKFCZQVPSELF-WDEREUQCSA-N 1 1 322.431 -1.799 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001400245011 924780914 /nfs/dbraw/zinc/78/09/14/924780914.db2.gz KNZXJCOAUMZROD-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400236808 924781180 /nfs/dbraw/zinc/78/11/80/924781180.db2.gz KPORBQAMWJILMM-QWRGUYRKSA-N 1 1 324.385 -1.764 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233942 924782073 /nfs/dbraw/zinc/78/20/73/924782073.db2.gz QNRILDURNQWJNE-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233942 924782078 /nfs/dbraw/zinc/78/20/78/924782078.db2.gz QNRILDURNQWJNE-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233942 924782084 /nfs/dbraw/zinc/78/20/84/924782084.db2.gz QNRILDURNQWJNE-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001400231720 924782139 /nfs/dbraw/zinc/78/21/39/924782139.db2.gz AZWCQWLQQMUYNJ-RYUDHWBXSA-N 1 1 311.386 -1.257 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001400262173 924782973 /nfs/dbraw/zinc/78/29/73/924782973.db2.gz ALQSBGLDLLNRLP-GUBZILKMSA-N 1 1 324.389 -1.092 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001400275249 924785225 /nfs/dbraw/zinc/78/52/25/924785225.db2.gz SEMGFHFCQKEFSJ-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001400275249 924785231 /nfs/dbraw/zinc/78/52/31/924785231.db2.gz SEMGFHFCQKEFSJ-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400297853 924786656 /nfs/dbraw/zinc/78/66/56/924786656.db2.gz VLMDHUHSQZQFDA-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001400305533 924787017 /nfs/dbraw/zinc/78/70/17/924787017.db2.gz NGLLYVCOKZLXJU-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001400305533 924787024 /nfs/dbraw/zinc/78/70/24/924787024.db2.gz NGLLYVCOKZLXJU-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO Cn1[nH]c(CN2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)nc1=O ZINC001400341190 924788934 /nfs/dbraw/zinc/78/89/34/924788934.db2.gz JXTIAYGUTOKVRP-UHFFFAOYSA-N 1 1 308.386 -1.107 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001400354459 924790018 /nfs/dbraw/zinc/79/00/18/924790018.db2.gz QXRZUPFARCHDLB-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1(NC(N)=O)CC1 ZINC001400418900 924797131 /nfs/dbraw/zinc/79/71/31/924797131.db2.gz GKKGOKNZWQUEII-MNOVXSKESA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)C1 ZINC001400411983 924797304 /nfs/dbraw/zinc/79/73/04/924797304.db2.gz IAADKAGSEHSSBC-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC001400428780 924799348 /nfs/dbraw/zinc/79/93/48/924799348.db2.gz YJIOHDQIWLNDDM-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400555568 924809968 /nfs/dbraw/zinc/80/99/68/924809968.db2.gz VUYYZHXDTFQHIE-LLVKDONJSA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400555568 924809971 /nfs/dbraw/zinc/80/99/71/924809971.db2.gz VUYYZHXDTFQHIE-LLVKDONJSA-N 1 1 322.369 -1.626 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001400547792 924810252 /nfs/dbraw/zinc/81/02/52/924810252.db2.gz DLFRXFMVICKXCM-MNOVXSKESA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001400547792 924810263 /nfs/dbraw/zinc/81/02/63/924810263.db2.gz DLFRXFMVICKXCM-MNOVXSKESA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001400547784 924810347 /nfs/dbraw/zinc/81/03/47/924810347.db2.gz DLFRXFMVICKXCM-GHMZBOCLSA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC001400547784 924810358 /nfs/dbraw/zinc/81/03/58/924810358.db2.gz DLFRXFMVICKXCM-GHMZBOCLSA-N 1 1 324.381 -1.639 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001400540969 924811205 /nfs/dbraw/zinc/81/12/05/924811205.db2.gz HFTYBRIOKJJECK-NXEZZACHSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001400569620 924811544 /nfs/dbraw/zinc/81/15/44/924811544.db2.gz JTTTWFBXPTYBQT-SRVKXCTJSA-N 1 1 323.397 -1.179 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)C1 ZINC001400567480 924812426 /nfs/dbraw/zinc/81/24/26/924812426.db2.gz KMEBWZUKFLXODN-ZDEQEGDKSA-N 1 1 311.382 -1.243 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(=O)cn1 ZINC001400576642 924813384 /nfs/dbraw/zinc/81/33/84/924813384.db2.gz DXHKQRUOJVCRNF-DCAQKATOSA-N 1 1 308.338 -1.324 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCOCC1 ZINC001400570981 924813661 /nfs/dbraw/zinc/81/36/61/924813661.db2.gz GGTSNGKYQCVBOP-MELADBBJSA-N 1 1 313.398 -1.389 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC001400582294 924814753 /nfs/dbraw/zinc/81/47/53/924814753.db2.gz POKUBLPIGPAUAE-NXEZZACHSA-N 1 1 310.354 -1.189 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)c(=O)n1C ZINC001400592503 924816226 /nfs/dbraw/zinc/81/62/26/924816226.db2.gz OFVCAONSIGANST-SRVKXCTJSA-N 1 1 324.381 -1.370 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001400585438 924816445 /nfs/dbraw/zinc/81/64/45/924816445.db2.gz IUPGBYOMPWUVHV-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001400605852 924816900 /nfs/dbraw/zinc/81/69/00/924816900.db2.gz QCNISRDODZCKOS-YNEHKIRRSA-N 1 1 301.387 -1.485 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001400621800 924817630 /nfs/dbraw/zinc/81/76/30/924817630.db2.gz BXDQQUFQLMWEBQ-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001400621800 924817633 /nfs/dbraw/zinc/81/76/33/924817633.db2.gz BXDQQUFQLMWEBQ-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400621093 924817916 /nfs/dbraw/zinc/81/79/16/924817916.db2.gz OXSSSIXHEZILTD-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400621093 924817924 /nfs/dbraw/zinc/81/79/24/924817924.db2.gz OXSSSIXHEZILTD-IUCAKERBSA-N 1 1 321.403 -2.505 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001400630615 924818527 /nfs/dbraw/zinc/81/85/27/924818527.db2.gz OVSWAMQYEXXLJT-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001400631534 924818907 /nfs/dbraw/zinc/81/89/07/924818907.db2.gz SOMBHGSTBLSISL-HBNTYKKESA-N 1 1 300.359 -1.792 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001400648581 924820544 /nfs/dbraw/zinc/82/05/44/924820544.db2.gz HCEGUPSKPRRNLS-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001400648581 924820552 /nfs/dbraw/zinc/82/05/52/924820552.db2.gz HCEGUPSKPRRNLS-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400651276 924822150 /nfs/dbraw/zinc/82/21/50/924822150.db2.gz HNTAOONFKKCLJH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400651276 924822158 /nfs/dbraw/zinc/82/21/58/924822158.db2.gz HNTAOONFKKCLJH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001400676384 924823532 /nfs/dbraw/zinc/82/35/32/924823532.db2.gz KGQBHTPQMOAYTR-NOOOWODRSA-N 1 1 315.370 -1.783 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001400675926 924823711 /nfs/dbraw/zinc/82/37/11/924823711.db2.gz LGSHFZBVLZFXAP-GHMZBOCLSA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001400675926 924823714 /nfs/dbraw/zinc/82/37/14/924823714.db2.gz LGSHFZBVLZFXAP-GHMZBOCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001400696248 924823725 /nfs/dbraw/zinc/82/37/25/924823725.db2.gz HNILBPZONIAKDU-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001400696248 924823735 /nfs/dbraw/zinc/82/37/35/924823735.db2.gz HNILBPZONIAKDU-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001400675288 924824080 /nfs/dbraw/zinc/82/40/80/924824080.db2.gz AYYWWVUJCYDDRS-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001400675288 924824087 /nfs/dbraw/zinc/82/40/87/924824087.db2.gz AYYWWVUJCYDDRS-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400696057 924824244 /nfs/dbraw/zinc/82/42/44/924824244.db2.gz GQNNKRNWHNRZJB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400696057 924824248 /nfs/dbraw/zinc/82/42/48/924824248.db2.gz GQNNKRNWHNRZJB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400722788 924826394 /nfs/dbraw/zinc/82/63/94/924826394.db2.gz BGWXIOUFVVYYQR-SNVBAGLBSA-N 1 1 323.397 -1.192 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001400716356 924827057 /nfs/dbraw/zinc/82/70/57/924827057.db2.gz QBBVBUDJFBHESA-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001400710879 924826925 /nfs/dbraw/zinc/82/69/25/924826925.db2.gz MNKSTZLRBKBTBC-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN(C)S(C)(=O)=O)C1 ZINC001400710879 924826936 /nfs/dbraw/zinc/82/69/36/924826936.db2.gz MNKSTZLRBKBTBC-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001400716356 924827066 /nfs/dbraw/zinc/82/70/66/924827066.db2.gz QBBVBUDJFBHESA-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001400733608 924828295 /nfs/dbraw/zinc/82/82/95/924828295.db2.gz GBVMFXUIGVLKIV-LLVKDONJSA-N 1 1 309.374 -1.131 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001400731027 924828391 /nfs/dbraw/zinc/82/83/91/924828391.db2.gz TVBQLRRBICFEJM-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001400731027 924828397 /nfs/dbraw/zinc/82/83/97/924828397.db2.gz TVBQLRRBICFEJM-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001400737255 924829530 /nfs/dbraw/zinc/82/95/30/924829530.db2.gz LVBLJXSKRHSAFH-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001400759840 924830202 /nfs/dbraw/zinc/83/02/02/924830202.db2.gz NPFZVVQMECJWSN-UHFFFAOYSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400765075 924830744 /nfs/dbraw/zinc/83/07/44/924830744.db2.gz LHHCORHJMHNBRD-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400765075 924830745 /nfs/dbraw/zinc/83/07/45/924830745.db2.gz LHHCORHJMHNBRD-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001400835521 924833536 /nfs/dbraw/zinc/83/35/36/924833536.db2.gz UJIMIESKFJKCLW-DTWKUNHWSA-N 1 1 310.362 -1.782 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnn(CC)n1 ZINC001400879987 924836310 /nfs/dbraw/zinc/83/63/10/924836310.db2.gz UFOCFHLGQQMLHM-GXSJLCMTSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@](C)(C[NH2+]Cc1nnnn1C)C1CC1 ZINC001400974084 924837244 /nfs/dbraw/zinc/83/72/44/924837244.db2.gz HQISVMHIGAAPKA-SDBXPKJASA-N 1 1 324.389 -1.359 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@](C)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001401000020 924838509 /nfs/dbraw/zinc/83/85/09/924838509.db2.gz ADSIBPCZHSZQLI-ZANVPECISA-N 1 1 322.373 -1.734 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1nnn(C)n1 ZINC001401115390 924842575 /nfs/dbraw/zinc/84/25/75/924842575.db2.gz JFIPAHPBBXVCTM-SECBINFHSA-N 1 1 320.357 -1.541 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C ZINC001401123080 924843558 /nfs/dbraw/zinc/84/35/58/924843558.db2.gz IYOCKWOHJHLXGG-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156493 924845954 /nfs/dbraw/zinc/84/59/54/924845954.db2.gz BBWRIGGORFKATQ-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCNC2=O)C1 ZINC001401156493 924845962 /nfs/dbraw/zinc/84/59/62/924845962.db2.gz BBWRIGGORFKATQ-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001401162247 924846915 /nfs/dbraw/zinc/84/69/15/924846915.db2.gz NBUVIJMDTBKHLV-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001401162247 924846924 /nfs/dbraw/zinc/84/69/24/924846924.db2.gz NBUVIJMDTBKHLV-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001401191555 924849301 /nfs/dbraw/zinc/84/93/01/924849301.db2.gz ISMLJPFGTRXZPP-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001401191555 924849303 /nfs/dbraw/zinc/84/93/03/924849303.db2.gz ISMLJPFGTRXZPP-VXGBXAGGSA-N 1 1 316.354 -1.301 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001401191552 924849954 /nfs/dbraw/zinc/84/99/54/924849954.db2.gz ISMLJPFGTRXZPP-NEPJUHHUSA-N 1 1 316.354 -1.301 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001401191552 924849962 /nfs/dbraw/zinc/84/99/62/924849962.db2.gz ISMLJPFGTRXZPP-NEPJUHHUSA-N 1 1 316.354 -1.301 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCn1ccnn1 ZINC001401217247 924851199 /nfs/dbraw/zinc/85/11/99/924851199.db2.gz VZLGQVGEONDQBF-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@H](C[NH2+]Cc1ncccn1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001401245907 924854240 /nfs/dbraw/zinc/85/42/40/924854240.db2.gz VLSQKEMRCOHAFX-GFCCVEGCSA-N 1 1 320.397 -1.155 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001401243417 924854608 /nfs/dbraw/zinc/85/46/08/924854608.db2.gz GBILIXJCQAKUHF-GARJFASQSA-N 1 1 324.385 -1.216 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001401342354 924855447 /nfs/dbraw/zinc/85/54/47/924855447.db2.gz XEUFQNGEEXLKJC-GHMZBOCLSA-N 1 1 309.374 -1.273 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1nnn(C)n1)[NH2+]Cc1ncnn1C ZINC001401339198 924856215 /nfs/dbraw/zinc/85/62/15/924856215.db2.gz UONORNTVLOMNSP-SECBINFHSA-N 1 1 307.362 -1.117 20 0 DAADMO CNC(=O)C[N@@H+](C)CCC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001401306369 924856431 /nfs/dbraw/zinc/85/64/31/924856431.db2.gz QZIHPZWWDWEKQQ-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001401387672 924857456 /nfs/dbraw/zinc/85/74/56/924857456.db2.gz OLODYTVRULGZQB-LBPRGKRZSA-N 1 1 304.322 -1.300 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001401387672 924857463 /nfs/dbraw/zinc/85/74/63/924857463.db2.gz OLODYTVRULGZQB-LBPRGKRZSA-N 1 1 304.322 -1.300 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001401388249 924857909 /nfs/dbraw/zinc/85/79/09/924857909.db2.gz LKXHVNKFUXQECK-LLVKDONJSA-N 1 1 309.374 -1.308 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)Cc1cc[nH]n1 ZINC001401362034 924858320 /nfs/dbraw/zinc/85/83/20/924858320.db2.gz ICNGQNZUZJOXFE-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)Cc1cc[nH]n1 ZINC001401362034 924858328 /nfs/dbraw/zinc/85/83/28/924858328.db2.gz ICNGQNZUZJOXFE-UHFFFAOYSA-N 1 1 317.415 -1.108 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001401386869 924858419 /nfs/dbraw/zinc/85/84/19/924858419.db2.gz YEAQLTMLVCFBEJ-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001401386869 924858424 /nfs/dbraw/zinc/85/84/24/924858424.db2.gz YEAQLTMLVCFBEJ-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1nc(C)n(CC[N@H+](C)CCN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001401384642 924859425 /nfs/dbraw/zinc/85/94/25/924859425.db2.gz PSJAXEVJXVLPQU-GFCCVEGCSA-N 1 1 323.401 -1.033 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cccn(C)c1=O ZINC001401427138 924859969 /nfs/dbraw/zinc/85/99/69/924859969.db2.gz FADWRUGFHODJCD-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cccn(C)c1=O ZINC001401427138 924859973 /nfs/dbraw/zinc/85/99/73/924859973.db2.gz FADWRUGFHODJCD-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001401475315 924861170 /nfs/dbraw/zinc/86/11/70/924861170.db2.gz FCFRHZDQYSAZHS-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001401419707 924861325 /nfs/dbraw/zinc/86/13/25/924861325.db2.gz FLVIKMZADRHXFL-IINYFYTJSA-N 1 1 312.370 -1.002 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001401419707 924861334 /nfs/dbraw/zinc/86/13/34/924861334.db2.gz FLVIKMZADRHXFL-IINYFYTJSA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCNC1=O ZINC001401430644 924861409 /nfs/dbraw/zinc/86/14/09/924861409.db2.gz KOUBSTUHAUIFGM-GFCCVEGCSA-N 1 1 316.402 -1.201 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)n1 ZINC001401489365 924862805 /nfs/dbraw/zinc/86/28/05/924862805.db2.gz AZYYOZKDGSRMHS-SNVBAGLBSA-N 1 1 319.369 -1.019 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001401485701 924863134 /nfs/dbraw/zinc/86/31/34/924863134.db2.gz LQQMVYCKJCEOGC-GFCCVEGCSA-N 1 1 324.385 -1.513 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncs2)c1N ZINC001401492220 924864119 /nfs/dbraw/zinc/86/41/19/924864119.db2.gz FAPGZOMZVWGLAA-ZETCQYMHSA-N 1 1 311.371 -1.266 20 0 DAADMO Cc1ncncc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001401490482 924864499 /nfs/dbraw/zinc/86/44/99/924864499.db2.gz KDFNCDZUHSKNOJ-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccon1 ZINC001401491854 924865024 /nfs/dbraw/zinc/86/50/24/924865024.db2.gz LXUQDMPLFJXEPV-SECBINFHSA-N 1 1 309.330 -1.048 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001401490485 924865075 /nfs/dbraw/zinc/86/50/75/924865075.db2.gz KDFNCDZUHSKNOJ-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO CC[N@H+]1CC[C@H]2CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]21 ZINC001401493253 924865113 /nfs/dbraw/zinc/86/51/13/924865113.db2.gz NZGDCOHTVRCBFT-QWRGUYRKSA-N 1 1 304.416 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1nnnn1C1CC1 ZINC001401492492 924865774 /nfs/dbraw/zinc/86/57/74/924865774.db2.gz IDTRPGLZGPQXTL-NEPJUHHUSA-N 1 1 323.401 -1.331 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cncn1)c1nncn1C ZINC001401496781 924867045 /nfs/dbraw/zinc/86/70/45/924867045.db2.gz CHNJIEUHPUWLFJ-WDEREUQCSA-N 1 1 322.373 -1.375 20 0 DAADMO CCOCC(=O)NC[C@@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001401495237 924867387 /nfs/dbraw/zinc/86/73/87/924867387.db2.gz SOPGHQYDIAPQKK-JTQLQIEISA-N 1 1 313.358 -1.589 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)c1ncccc1O ZINC001401495176 924867480 /nfs/dbraw/zinc/86/74/80/924867480.db2.gz JJMBJTFYLOOJDT-VHSXEESVSA-N 1 1 308.338 -1.254 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)on1 ZINC001401501950 924868224 /nfs/dbraw/zinc/86/82/24/924868224.db2.gz PWXBFWSWHDQZDP-QMMMGPOBSA-N 1 1 310.314 -1.010 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001401502017 924868746 /nfs/dbraw/zinc/86/87/46/924868746.db2.gz XKOHVQZSNJZGNH-MNOVXSKESA-N 1 1 312.374 -1.314 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001401500037 924869165 /nfs/dbraw/zinc/86/91/65/924869165.db2.gz FWBYLHSYCWCGLF-SNVBAGLBSA-N 1 1 319.369 -1.162 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cccnc1)c1nnnn1C ZINC001401500823 924869959 /nfs/dbraw/zinc/86/99/59/924869959.db2.gz AUZHZXVCAYSUCJ-ZYHUDNBSSA-N 1 1 319.369 -1.025 20 0 DAADMO O=C(Cn1cccn1)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001401505553 924870842 /nfs/dbraw/zinc/87/08/42/924870842.db2.gz HYZVVQWXTNPGJX-NSHDSACASA-N 1 1 320.357 -1.529 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001401502379 924871245 /nfs/dbraw/zinc/87/12/45/924871245.db2.gz GHIFIEXNFXIGMO-QWRGUYRKSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001401502884 924871287 /nfs/dbraw/zinc/87/12/87/924871287.db2.gz GRXPLZCVFTXDLX-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001401507811 924871856 /nfs/dbraw/zinc/87/18/56/924871856.db2.gz OLJCGQDZZUWKDS-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001401506719 924872102 /nfs/dbraw/zinc/87/21/02/924872102.db2.gz LMUZUWXZNLUJEC-JTQLQIEISA-N 1 1 310.358 -1.638 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001401510872 924873104 /nfs/dbraw/zinc/87/31/04/924873104.db2.gz RYAIPNRLOSVOLK-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001401513610 924873425 /nfs/dbraw/zinc/87/34/25/924873425.db2.gz ZJWVARMEKGGMRB-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCn2cccn2)nn1 ZINC001401523295 924875934 /nfs/dbraw/zinc/87/59/34/924875934.db2.gz XTKOWBJRJSSMNH-LBPRGKRZSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)oc1C ZINC001401517326 924876149 /nfs/dbraw/zinc/87/61/49/924876149.db2.gz WOOPBRLGKBBVCS-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)S(C)(=O)=O ZINC001401536726 924876585 /nfs/dbraw/zinc/87/65/85/924876585.db2.gz JOMFSBFKBZYCOA-WPRPVWTQSA-N 1 1 305.356 -1.326 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001401534940 924877539 /nfs/dbraw/zinc/87/75/39/924877539.db2.gz DEADWBORFOSXLR-LLVKDONJSA-N 1 1 322.373 -1.939 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC1(F)F ZINC001401547057 924881457 /nfs/dbraw/zinc/88/14/57/924881457.db2.gz WJTTZAHYAQJMJB-YUMQZZPRSA-N 1 1 304.301 -1.178 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001401546808 924882392 /nfs/dbraw/zinc/88/23/92/924882392.db2.gz UCSZCWGHYNQTHC-CYBMUJFWSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC1(F)F ZINC001401547047 924882990 /nfs/dbraw/zinc/88/29/90/924882990.db2.gz WJTTZAHYAQJMJB-HTQZYQBOSA-N 1 1 304.301 -1.178 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001401546529 924883077 /nfs/dbraw/zinc/88/30/77/924883077.db2.gz AVGSBZYNVUIALS-VIFPVBQESA-N 1 1 306.326 -1.204 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)NC2)n1 ZINC001401545029 924883094 /nfs/dbraw/zinc/88/30/94/924883094.db2.gz FFKIKZCWSQVXPB-BXUZGUMPSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001401548505 924883542 /nfs/dbraw/zinc/88/35/42/924883542.db2.gz WIQYROPLNHEIIX-IUCAKERBSA-N 1 1 313.362 -2.128 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001401548498 924884057 /nfs/dbraw/zinc/88/40/57/924884057.db2.gz WIQYROPLNHEIIX-BDAKNGLRSA-N 1 1 313.362 -2.128 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001401548509 924884627 /nfs/dbraw/zinc/88/46/27/924884627.db2.gz WIQYROPLNHEIIX-RKDXNWHRSA-N 1 1 313.362 -2.128 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1)S(C)(=O)=O ZINC001401549203 924884848 /nfs/dbraw/zinc/88/48/48/924884848.db2.gz XPNNZTZYGIMPGC-YUMQZZPRSA-N 1 1 322.412 -1.462 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001401549225 924885100 /nfs/dbraw/zinc/88/51/00/924885100.db2.gz XQJIRDDCKRYMPB-VXGBXAGGSA-N 1 1 321.381 -1.088 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001401553973 924886203 /nfs/dbraw/zinc/88/62/03/924886203.db2.gz NEHMTRDQVSEOPW-SECBINFHSA-N 1 1 321.341 -1.500 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001401552894 924886820 /nfs/dbraw/zinc/88/68/20/924886820.db2.gz DPFJONCLXXNDOE-LBPRGKRZSA-N 1 1 320.353 -1.606 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2nnnn2C)C1 ZINC001401555591 924887632 /nfs/dbraw/zinc/88/76/32/924887632.db2.gz LSZIZESTPQCBIY-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNCc2nnnn2C)C1 ZINC001401555585 924887869 /nfs/dbraw/zinc/88/78/69/924887869.db2.gz LSZIZESTPQCBIY-GHMZBOCLSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001401554744 924888105 /nfs/dbraw/zinc/88/81/05/924888105.db2.gz TYYNYVPREDWRRN-JYMMUIJESA-N 1 1 322.369 -1.800 20 0 DAADMO Cc1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001401555554 924888140 /nfs/dbraw/zinc/88/81/40/924888140.db2.gz LQZSQAFBERHKNN-LLVKDONJSA-N 1 1 323.357 -1.294 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCCCC2=O)nn1 ZINC001401558650 924888482 /nfs/dbraw/zinc/88/84/82/924888482.db2.gz KTWCZIWMXGIOKT-GFCCVEGCSA-N 1 1 324.385 -1.606 20 0 DAADMO COc1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401556407 924888625 /nfs/dbraw/zinc/88/86/25/924888625.db2.gz AVMNSPOXZCZSDM-LLVKDONJSA-N 1 1 321.341 -1.506 20 0 DAADMO COc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401556417 924888790 /nfs/dbraw/zinc/88/87/90/924888790.db2.gz AVMNSPOXZCZSDM-NSHDSACASA-N 1 1 321.341 -1.506 20 0 DAADMO CN1CC(C(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)=NC1=O ZINC001401556465 924888854 /nfs/dbraw/zinc/88/88/54/924888854.db2.gz OTTGZCFNADXZQQ-SECBINFHSA-N 1 1 309.330 -1.865 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001401561147 924889933 /nfs/dbraw/zinc/88/99/33/924889933.db2.gz VKBRMHOEEIFYRD-GFCCVEGCSA-N 1 1 321.385 -1.334 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCCC2=O)nn1 ZINC001401558664 924890901 /nfs/dbraw/zinc/89/09/01/924890901.db2.gz KTWCZIWMXGIOKT-LBPRGKRZSA-N 1 1 324.385 -1.606 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001401560525 924891373 /nfs/dbraw/zinc/89/13/73/924891373.db2.gz SNXWPQHCHHGJQW-NSHDSACASA-N 1 1 323.357 -1.294 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001401559938 924891399 /nfs/dbraw/zinc/89/13/99/924891399.db2.gz HFFNOXJWLBCTRJ-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001401562351 924891754 /nfs/dbraw/zinc/89/17/54/924891754.db2.gz JSLXWZVTFMKTAZ-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 ZINC001401562198 924893261 /nfs/dbraw/zinc/89/32/61/924893261.db2.gz WOQWQTHKHVEIQF-LPWJVIDDSA-N 1 1 309.370 -1.051 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001401564766 924893332 /nfs/dbraw/zinc/89/33/32/924893332.db2.gz WWRZFNGTFNIZBG-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001401564766 924893340 /nfs/dbraw/zinc/89/33/40/924893340.db2.gz WWRZFNGTFNIZBG-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnoc1)c1nnnn1C ZINC001401563270 924893424 /nfs/dbraw/zinc/89/34/24/924893424.db2.gz XROZFPSOWAKEIF-SCZZXKLOSA-N 1 1 309.330 -1.432 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)c1[nH]nc2c1CCCC2 ZINC001401566776 924894281 /nfs/dbraw/zinc/89/42/81/924894281.db2.gz QDQUYNJHYOQCCJ-BXKDBHETSA-N 1 1 321.381 -1.143 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)oc1C ZINC001401566931 924895016 /nfs/dbraw/zinc/89/50/16/924895016.db2.gz XXZQWTFXSDPQSF-UWVGGRQHSA-N 1 1 311.342 -1.460 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ncccn1 ZINC001401571998 924896492 /nfs/dbraw/zinc/89/64/92/924896492.db2.gz DYZCKNPHQGEOTA-NSHDSACASA-N 1 1 319.369 -1.195 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)nn1 ZINC001401573435 924897408 /nfs/dbraw/zinc/89/74/08/924897408.db2.gz MVDBOLBEMCPDJP-LLVKDONJSA-N 1 1 308.346 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001401574498 924898123 /nfs/dbraw/zinc/89/81/23/924898123.db2.gz UEGOBORKFOVYDB-MRVPVSSYSA-N 1 1 320.375 -3.069 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001401575780 924898800 /nfs/dbraw/zinc/89/88/00/924898800.db2.gz WXPYOARWGJIUDB-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001401578246 924898957 /nfs/dbraw/zinc/89/89/57/924898957.db2.gz IQEFELBMTSXWHE-MNOVXSKESA-N 1 1 324.385 -1.296 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001401581283 924900735 /nfs/dbraw/zinc/90/07/35/924900735.db2.gz ZGUVTKIGYURGQK-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001401581279 924900854 /nfs/dbraw/zinc/90/08/54/924900854.db2.gz ZGUVTKIGYURGQK-IUCAKERBSA-N 1 1 309.330 -1.052 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001401580305 924901488 /nfs/dbraw/zinc/90/14/88/924901488.db2.gz JWEFVTQBJXPBLN-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001401580469 924901760 /nfs/dbraw/zinc/90/17/60/924901760.db2.gz DSQQORAXWDZHRB-CYBMUJFWSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cncn1)c1nncn1C ZINC001401579851 924902010 /nfs/dbraw/zinc/90/20/10/924902010.db2.gz TYHHBODJUYZMNW-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1ncc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001401588941 924903387 /nfs/dbraw/zinc/90/33/87/924903387.db2.gz TVMYMGMYINFXSU-DGCLKSJQSA-N 1 1 310.402 -1.276 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001401586784 924903996 /nfs/dbraw/zinc/90/39/96/924903996.db2.gz MFMQOBYUHGBLPS-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001401596915 924904205 /nfs/dbraw/zinc/90/42/05/924904205.db2.gz FEMOZUFMYMIVIQ-DTWKUNHWSA-N 1 1 310.362 -1.609 20 0 DAADMO CCn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001401589448 924904299 /nfs/dbraw/zinc/90/42/99/924904299.db2.gz XLAWLNSVTGWAPY-WCQYABFASA-N 1 1 310.402 -1.184 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCCC1=O ZINC001401605665 924905685 /nfs/dbraw/zinc/90/56/85/924905685.db2.gz OPOVYOYOHMYVJW-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401624133 924907571 /nfs/dbraw/zinc/90/75/71/924907571.db2.gz HKRITRJXNMPZIG-VHSXEESVSA-N 1 1 320.357 -1.807 20 0 DAADMO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1ncn[nH]1 ZINC001401653295 924909310 /nfs/dbraw/zinc/90/93/10/924909310.db2.gz IOIVNCZQUFMOBS-BDAKNGLRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1nc[nH]n1 ZINC001401653295 924909314 /nfs/dbraw/zinc/90/93/14/924909314.db2.gz IOIVNCZQUFMOBS-BDAKNGLRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001401676560 924912057 /nfs/dbraw/zinc/91/20/57/924912057.db2.gz ZYTSFFONZHWLAA-ZJUUUORDSA-N 1 1 315.399 -1.013 20 0 DAADMO CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)C(C)C ZINC001401657992 924912942 /nfs/dbraw/zinc/91/29/42/924912942.db2.gz LFTZWZLPDZCYOW-BXKDBHETSA-N 1 1 311.390 -1.035 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1CNC(=O)N1 ZINC001401697996 924914502 /nfs/dbraw/zinc/91/45/02/924914502.db2.gz ABHYVCOMNVTAAY-DTWKUNHWSA-N 1 1 313.337 -1.477 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001401692476 924915111 /nfs/dbraw/zinc/91/51/11/924915111.db2.gz KCGAKGKOYMHAIQ-IUCAKERBSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)Cn1cncn1 ZINC001401722536 924916555 /nfs/dbraw/zinc/91/65/55/924916555.db2.gz JRVNTZBEPMIGPZ-JTQLQIEISA-N 1 1 320.357 -1.306 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC001401704652 924916609 /nfs/dbraw/zinc/91/66/09/924916609.db2.gz AJEFUXSCGKZDSH-UJNFCWOMSA-N 1 1 310.358 -1.260 20 0 DAADMO C[C@@H](C[NH2+]Cc1ccon1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401720738 924916649 /nfs/dbraw/zinc/91/66/49/924916649.db2.gz MVEQDXSTQINWJA-WCBMZHEXSA-N 1 1 302.356 -1.039 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CNC(=O)C(C)(C)C ZINC001401719807 924917065 /nfs/dbraw/zinc/91/70/65/924917065.db2.gz FZMJPMBOPVQYRO-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001401703638 924917465 /nfs/dbraw/zinc/91/74/65/924917465.db2.gz XCMYDTDWEZJYHS-QMMMGPOBSA-N 1 1 318.341 -1.001 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401735849 924918119 /nfs/dbraw/zinc/91/81/19/924918119.db2.gz RVKCXRIZQPLPFB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401735849 924918125 /nfs/dbraw/zinc/91/81/25/924918125.db2.gz RVKCXRIZQPLPFB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001401726425 924918394 /nfs/dbraw/zinc/91/83/94/924918394.db2.gz AKZXLVDBFZASEG-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001401726425 924918401 /nfs/dbraw/zinc/91/84/01/924918401.db2.gz AKZXLVDBFZASEG-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748227 924918645 /nfs/dbraw/zinc/91/86/45/924918645.db2.gz DIDCDHDZJBVIFS-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748227 924918650 /nfs/dbraw/zinc/91/86/50/924918650.db2.gz DIDCDHDZJBVIFS-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748233 924918668 /nfs/dbraw/zinc/91/86/68/924918668.db2.gz DIDCDHDZJBVIFS-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001401748233 924918675 /nfs/dbraw/zinc/91/86/75/924918675.db2.gz DIDCDHDZJBVIFS-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(=O)NC ZINC001401729482 924918903 /nfs/dbraw/zinc/91/89/03/924918903.db2.gz ASUIYNVPMCKCQB-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001401729482 924918910 /nfs/dbraw/zinc/91/89/10/924918910.db2.gz ASUIYNVPMCKCQB-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO Cc1nc(C(=O)N[C@H](C)C[N@@H+](C)CCO)nn1-c1nc[nH]n1 ZINC001401754872 924919643 /nfs/dbraw/zinc/91/96/43/924919643.db2.gz JISVBJAMXNMAPC-MRVPVSSYSA-N 1 1 308.346 -1.264 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744165 924920094 /nfs/dbraw/zinc/92/00/94/924920094.db2.gz ZRCBKRQGGVDKRJ-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001401744165 924920100 /nfs/dbraw/zinc/92/01/00/924920100.db2.gz ZRCBKRQGGVDKRJ-UWVGGRQHSA-N 1 1 324.385 -1.018 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401784955 924921626 /nfs/dbraw/zinc/92/16/26/924921626.db2.gz NHNVUHOVJMXWKH-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401784955 924921634 /nfs/dbraw/zinc/92/16/34/924921634.db2.gz NHNVUHOVJMXWKH-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001401799321 924921924 /nfs/dbraw/zinc/92/19/24/924921924.db2.gz ILYBOEKHDUYFSH-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001401799321 924921930 /nfs/dbraw/zinc/92/19/30/924921930.db2.gz ILYBOEKHDUYFSH-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001401795257 924921948 /nfs/dbraw/zinc/92/19/48/924921948.db2.gz QYFYQRHFJHOYQO-KOLCDFICSA-N 1 1 322.431 -1.518 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001401795257 924921953 /nfs/dbraw/zinc/92/19/53/924921953.db2.gz QYFYQRHFJHOYQO-KOLCDFICSA-N 1 1 322.431 -1.518 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401786673 924921983 /nfs/dbraw/zinc/92/19/83/924921983.db2.gz XNXNOAUOEXTMTR-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401786673 924921985 /nfs/dbraw/zinc/92/19/85/924921985.db2.gz XNXNOAUOEXTMTR-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)C[N@@H+](C)CCO ZINC001401792591 924922159 /nfs/dbraw/zinc/92/21/59/924922159.db2.gz KWAKIQCELOQDMG-MNOVXSKESA-N 1 1 309.432 -1.011 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001401769371 924922255 /nfs/dbraw/zinc/92/22/55/924922255.db2.gz XLSCKTRYWQOENG-QWRGUYRKSA-N 1 1 315.374 -1.974 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001401763283 924922421 /nfs/dbraw/zinc/92/24/21/924922421.db2.gz QHICMRMTUMHELJ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001401763283 924922424 /nfs/dbraw/zinc/92/24/24/924922424.db2.gz QHICMRMTUMHELJ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001401786660 924922454 /nfs/dbraw/zinc/92/24/54/924922454.db2.gz SBVSDHOOLJIYPM-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001401786660 924922461 /nfs/dbraw/zinc/92/24/61/924922461.db2.gz SBVSDHOOLJIYPM-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001401806931 924923385 /nfs/dbraw/zinc/92/33/85/924923385.db2.gz SYROGDXMHSURLF-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CCC(=O)N1CCOCC1 ZINC001401806931 924923394 /nfs/dbraw/zinc/92/33/94/924923394.db2.gz SYROGDXMHSURLF-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001401807352 924923478 /nfs/dbraw/zinc/92/34/78/924923478.db2.gz QCSIBFYIDITDHP-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001401807352 924923488 /nfs/dbraw/zinc/92/34/88/924923488.db2.gz QCSIBFYIDITDHP-SECBINFHSA-N 1 1 308.404 -1.892 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001401845964 924924223 /nfs/dbraw/zinc/92/42/23/924924223.db2.gz CLCMVBZOQNDNMA-NXEZZACHSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001401854381 924925301 /nfs/dbraw/zinc/92/53/01/924925301.db2.gz ZMJJZDUTOIRNTM-VHSXEESVSA-N 1 1 307.358 -1.519 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)cc1=O ZINC001401877242 924926457 /nfs/dbraw/zinc/92/64/57/924926457.db2.gz YISUETXSXXAQJQ-GFCCVEGCSA-N 1 1 317.353 -1.238 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001401877465 924926599 /nfs/dbraw/zinc/92/65/99/924926599.db2.gz YXBRNFVQGIBYLJ-JTQLQIEISA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001401877465 924926603 /nfs/dbraw/zinc/92/66/03/924926603.db2.gz YXBRNFVQGIBYLJ-JTQLQIEISA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001401907002 924931817 /nfs/dbraw/zinc/93/18/17/924931817.db2.gz OFFGLKOVMKPKGV-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001401927490 924932787 /nfs/dbraw/zinc/93/27/87/924932787.db2.gz WPEGKZHYKNALII-UWVGGRQHSA-N 1 1 310.354 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cnccc1=O ZINC001401926324 924933203 /nfs/dbraw/zinc/93/32/03/924933203.db2.gz PGFPLOXBRDZHTL-STQMWFEESA-N 1 1 324.381 -1.169 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001401940735 924936128 /nfs/dbraw/zinc/93/61/28/924936128.db2.gz ZAEKCVNGZZRVHE-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001401940735 924936132 /nfs/dbraw/zinc/93/61/32/924936132.db2.gz ZAEKCVNGZZRVHE-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001401999104 924939412 /nfs/dbraw/zinc/93/94/12/924939412.db2.gz HGOOHEIXMMTMJE-RISCZKNCSA-N 1 1 324.385 -1.245 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001402024912 924940820 /nfs/dbraw/zinc/94/08/20/924940820.db2.gz XHMVBNRBTXEEEA-UHFFFAOYSA-N 1 1 300.359 -2.236 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001402043800 924940929 /nfs/dbraw/zinc/94/09/29/924940929.db2.gz OJGABNGWAUQDBK-DGCLKSJQSA-N 1 1 323.397 -1.010 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001402042804 924941368 /nfs/dbraw/zinc/94/13/68/924941368.db2.gz ULNWQARPARTVNE-UHFFFAOYSA-N 1 1 323.357 -1.454 20 0 DAADMO CCC(=O)N1CCN([C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001402107466 924944792 /nfs/dbraw/zinc/94/47/92/924944792.db2.gz KQSRCXQWAYIWMG-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CCC(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001402107466 924944800 /nfs/dbraw/zinc/94/48/00/924944800.db2.gz KQSRCXQWAYIWMG-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402109647 924944994 /nfs/dbraw/zinc/94/49/94/924944994.db2.gz BBTCVCCEKUFADH-AWEZNQCLSA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)NC)CC2)C1 ZINC001402098596 924945882 /nfs/dbraw/zinc/94/58/82/924945882.db2.gz AXAXCCITZYBUPA-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@]1(NC(=O)CCNC(N)=O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402131538 924946420 /nfs/dbraw/zinc/94/64/20/924946420.db2.gz IUSBRPYGRBNZGF-QMTHXVAHSA-N 1 1 311.386 -1.096 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001402132656 924946515 /nfs/dbraw/zinc/94/65/15/924946515.db2.gz YMFJZEIDPIFYPT-GXFFZTMASA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cnccc2=O)C1 ZINC001402128167 924946728 /nfs/dbraw/zinc/94/67/28/924946728.db2.gz HSHQDGUGPNCVTE-OAHLLOKOSA-N 1 1 321.381 -1.040 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnccc2=O)C1 ZINC001402128167 924946733 /nfs/dbraw/zinc/94/67/33/924946733.db2.gz HSHQDGUGPNCVTE-OAHLLOKOSA-N 1 1 321.381 -1.040 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402137657 924947375 /nfs/dbraw/zinc/94/73/75/924947375.db2.gz YKLZHWCDBMMSNV-QMTHXVAHSA-N 1 1 311.386 -1.225 20 0 DAADMO COCC[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001402141131 924948611 /nfs/dbraw/zinc/94/86/11/924948611.db2.gz QJBRMSNCTYKRBN-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402140476 924948685 /nfs/dbraw/zinc/94/86/85/924948685.db2.gz POYTWTUIAGOXCY-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402140476 924948691 /nfs/dbraw/zinc/94/86/91/924948691.db2.gz POYTWTUIAGOXCY-CABZTGNLSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138674 924948886 /nfs/dbraw/zinc/94/88/86/924948886.db2.gz ZRPRPZWEFBCPBO-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138674 924948894 /nfs/dbraw/zinc/94/88/94/924948894.db2.gz ZRPRPZWEFBCPBO-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001402138509 924949220 /nfs/dbraw/zinc/94/92/20/924949220.db2.gz OHRXFCUWALMZAV-ZDUSSCGKSA-N 1 1 322.373 -1.721 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001402142503 924949775 /nfs/dbraw/zinc/94/97/75/924949775.db2.gz RWRFVCDKWKOTOT-WCQYABFASA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001402142503 924949783 /nfs/dbraw/zinc/94/97/83/924949783.db2.gz RWRFVCDKWKOTOT-WCQYABFASA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402139666 924949804 /nfs/dbraw/zinc/94/98/04/924949804.db2.gz SLCAVWXODATRSU-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402139666 924949808 /nfs/dbraw/zinc/94/98/08/924949808.db2.gz SLCAVWXODATRSU-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138681 924949826 /nfs/dbraw/zinc/94/98/26/924949826.db2.gz ZRPRPZWEFBCPBO-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2=O)C1 ZINC001402138681 924949828 /nfs/dbraw/zinc/94/98/28/924949828.db2.gz ZRPRPZWEFBCPBO-QMTHXVAHSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402213456 924950496 /nfs/dbraw/zinc/95/04/96/924950496.db2.gz QYJROWSBUXHRSH-IINYFYTJSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001402171950 924951274 /nfs/dbraw/zinc/95/12/74/924951274.db2.gz LMOHMPKDQMMINA-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001402183682 924951329 /nfs/dbraw/zinc/95/13/29/924951329.db2.gz KLSNEKFIEKSHAM-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402183682 924951335 /nfs/dbraw/zinc/95/13/35/924951335.db2.gz KLSNEKFIEKSHAM-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001402183672 924951555 /nfs/dbraw/zinc/95/15/55/924951555.db2.gz KLSNEKFIEKSHAM-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402183672 924951558 /nfs/dbraw/zinc/95/15/58/924951558.db2.gz KLSNEKFIEKSHAM-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001402173753 924951575 /nfs/dbraw/zinc/95/15/75/924951575.db2.gz BMMABXBYMGRQCG-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402175436 924951851 /nfs/dbraw/zinc/95/18/51/924951851.db2.gz UROIYXDJLCXDMO-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402175436 924951862 /nfs/dbraw/zinc/95/18/62/924951862.db2.gz UROIYXDJLCXDMO-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001402170218 924952123 /nfs/dbraw/zinc/95/21/23/924952123.db2.gz IAJCTNKLOJPGFV-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001402170218 924952124 /nfs/dbraw/zinc/95/21/24/924952124.db2.gz IAJCTNKLOJPGFV-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171502 924952381 /nfs/dbraw/zinc/95/23/81/924952381.db2.gz HRHFEYIIUDMVFB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402171502 924952387 /nfs/dbraw/zinc/95/23/87/924952387.db2.gz HRHFEYIIUDMVFB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCNC(=O)C[NH2+]C1(CNC(=O)Cc2nnc[nH]2)CCOCC1 ZINC001402232394 924953034 /nfs/dbraw/zinc/95/30/34/924953034.db2.gz ARPLWNGQZJDCHR-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001402245806 924953747 /nfs/dbraw/zinc/95/37/47/924953747.db2.gz JTLUZDJRFGXYLT-YMTOWFKASA-N 1 1 324.385 -1.137 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001402251012 924953932 /nfs/dbraw/zinc/95/39/32/924953932.db2.gz VJDPXVHSVGWXHF-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402252348 924954524 /nfs/dbraw/zinc/95/45/24/924954524.db2.gz ZTEPKSBZQOQWJU-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CCC[N@@H+](CCO)C1 ZINC001402220423 924954568 /nfs/dbraw/zinc/95/45/68/924954568.db2.gz FZFIOANLNBMFRI-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402258125 924954925 /nfs/dbraw/zinc/95/49/25/924954925.db2.gz AJVCVNMKPLSFQA-GFCCVEGCSA-N 1 1 302.331 -2.229 20 0 DAADMO CCOCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402258125 924954934 /nfs/dbraw/zinc/95/49/34/924954934.db2.gz AJVCVNMKPLSFQA-GFCCVEGCSA-N 1 1 302.331 -2.229 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402264379 924955388 /nfs/dbraw/zinc/95/53/88/924955388.db2.gz KLCJSGVYXXWKMS-RISCZKNCSA-N 1 1 301.387 -1.164 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254279 924955451 /nfs/dbraw/zinc/95/54/51/924955451.db2.gz BYYOCIKNMVCYKK-AWEZNQCLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254279 924955458 /nfs/dbraw/zinc/95/54/58/924955458.db2.gz BYYOCIKNMVCYKK-AWEZNQCLSA-N 1 1 312.370 -2.188 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001402265187 924955638 /nfs/dbraw/zinc/95/56/38/924955638.db2.gz FFKOYPAITOMFCU-TVQRCGJNSA-N 1 1 310.358 -1.456 20 0 DAADMO COc1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nc1 ZINC001402264398 924955730 /nfs/dbraw/zinc/95/57/30/924955730.db2.gz KPWGZGGTUYLKKQ-HNNXBMFYSA-N 1 1 322.365 -1.329 20 0 DAADMO COc1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nc1 ZINC001402264398 924955741 /nfs/dbraw/zinc/95/57/41/924955741.db2.gz KPWGZGGTUYLKKQ-HNNXBMFYSA-N 1 1 322.365 -1.329 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001402264322 924956095 /nfs/dbraw/zinc/95/60/95/924956095.db2.gz KKIJQJUQVHGIGF-AWEZNQCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001402264322 924956102 /nfs/dbraw/zinc/95/61/02/924956102.db2.gz KKIJQJUQVHGIGF-AWEZNQCLSA-N 1 1 310.354 -1.142 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001402257490 924956126 /nfs/dbraw/zinc/95/61/26/924956126.db2.gz ODIDHSZHGMOZFW-RISCZKNCSA-N 1 1 309.370 -1.300 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402264375 924956185 /nfs/dbraw/zinc/95/61/85/924956185.db2.gz KLCJSGVYXXWKMS-FZMZJTMJSA-N 1 1 301.387 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263765 924956526 /nfs/dbraw/zinc/95/65/26/924956526.db2.gz GLNYFTVQXDQGKZ-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001402263765 924956531 /nfs/dbraw/zinc/95/65/31/924956531.db2.gz GLNYFTVQXDQGKZ-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001402257489 924956587 /nfs/dbraw/zinc/95/65/87/924956587.db2.gz ODIDHSZHGMOZFW-FZMZJTMJSA-N 1 1 309.370 -1.300 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402262998 924956645 /nfs/dbraw/zinc/95/66/45/924956645.db2.gz CUHHBEFPSSXTSI-PWSUYJOCSA-N 1 1 314.346 -2.767 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001402261318 924956760 /nfs/dbraw/zinc/95/67/60/924956760.db2.gz HVKLMECQLCCPFD-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402261412 924957024 /nfs/dbraw/zinc/95/70/24/924957024.db2.gz DPRLUMRPRNEHNX-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402261412 924957036 /nfs/dbraw/zinc/95/70/36/924957036.db2.gz DPRLUMRPRNEHNX-IINYFYTJSA-N 1 1 309.370 -1.231 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1)S(C)(=O)=O ZINC001402260418 924957096 /nfs/dbraw/zinc/95/70/96/924957096.db2.gz AVQHMWFXRABFEG-LLVKDONJSA-N 1 1 311.379 -1.600 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1)S(C)(=O)=O ZINC001402260418 924957105 /nfs/dbraw/zinc/95/71/05/924957105.db2.gz AVQHMWFXRABFEG-LLVKDONJSA-N 1 1 311.379 -1.600 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402267616 924958525 /nfs/dbraw/zinc/95/85/25/924958525.db2.gz JQWXCVBZQMUPIT-CQSZACIVSA-N 1 1 309.370 -1.299 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@H]1CCOC1 ZINC001402267450 924958607 /nfs/dbraw/zinc/95/86/07/924958607.db2.gz RPCPVXFDWZEDPW-GXTWGEPZSA-N 1 1 309.370 -1.132 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001402269469 924958655 /nfs/dbraw/zinc/95/86/55/924958655.db2.gz LMLXAJVYZHUTPM-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001402269469 924958658 /nfs/dbraw/zinc/95/86/58/924958658.db2.gz LMLXAJVYZHUTPM-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402267474 924958702 /nfs/dbraw/zinc/95/87/02/924958702.db2.gz KITFGVCMZDVHFG-JQWIXIFHSA-N 1 1 300.338 -1.026 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3ccccn23)C1 ZINC001402271001 924958744 /nfs/dbraw/zinc/95/87/44/924958744.db2.gz HUAQGSDMKWAPRP-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3ccccn23)C1 ZINC001402271001 924958751 /nfs/dbraw/zinc/95/87/51/924958751.db2.gz HUAQGSDMKWAPRP-HNNXBMFYSA-N 1 1 317.349 -1.014 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001402271100 924959068 /nfs/dbraw/zinc/95/90/68/924959068.db2.gz SLVLSNXAECDDQK-FZMZJTMJSA-N 1 1 307.354 -1.193 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccn[nH]3)C2)C1=O ZINC001402271082 924960090 /nfs/dbraw/zinc/96/00/90/924960090.db2.gz SLVLSNXAECDDQK-BXUZGUMPSA-N 1 1 307.354 -1.193 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001402276458 924960543 /nfs/dbraw/zinc/96/05/43/924960543.db2.gz OZQBQGNJVRZZSQ-TVQRCGJNSA-N 1 1 323.357 -2.345 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402274260 924960822 /nfs/dbraw/zinc/96/08/22/924960822.db2.gz MAAXGRGTSQAJRM-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001402274260 924960828 /nfs/dbraw/zinc/96/08/28/924960828.db2.gz MAAXGRGTSQAJRM-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001402276473 924960893 /nfs/dbraw/zinc/96/08/93/924960893.db2.gz OZQBQGNJVRZZSQ-ZANVPECISA-N 1 1 323.357 -2.345 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001402273847 924961058 /nfs/dbraw/zinc/96/10/58/924961058.db2.gz BVAPCFVSAKUUTK-GFCCVEGCSA-N 1 1 322.431 -1.607 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2C)C1 ZINC001402277834 924961255 /nfs/dbraw/zinc/96/12/55/924961255.db2.gz YRQFJHOGTXMESQ-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274852 924961441 /nfs/dbraw/zinc/96/14/41/924961441.db2.gz LCURXDIIRPWCFJ-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001402278665 924961456 /nfs/dbraw/zinc/96/14/56/924961456.db2.gz WPUNHIBGYFNVEO-FZMZJTMJSA-N 1 1 309.370 -1.231 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cccn3)C2)n1 ZINC001402277358 924961558 /nfs/dbraw/zinc/96/15/58/924961558.db2.gz BNDOKOIOHWKVTI-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1)NC1CC1 ZINC001402283043 924962811 /nfs/dbraw/zinc/96/28/11/924962811.db2.gz WAHZJCUQBWNRJC-WFASDCNBSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCO2)C1)NC1CC1 ZINC001402283043 924962816 /nfs/dbraw/zinc/96/28/16/924962816.db2.gz WAHZJCUQBWNRJC-WFASDCNBSA-N 1 1 311.382 -1.003 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3nccn32)C1 ZINC001402282401 924963147 /nfs/dbraw/zinc/96/31/47/924963147.db2.gz HERWVYVTSDTDNV-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3nccn32)C1 ZINC001402282401 924963152 /nfs/dbraw/zinc/96/31/52/924963152.db2.gz HERWVYVTSDTDNV-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC001402279602 924963595 /nfs/dbraw/zinc/96/35/95/924963595.db2.gz GTZMMLRFYPCKGX-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001402283165 924963826 /nfs/dbraw/zinc/96/38/26/924963826.db2.gz YQJUSDXBQDMEEY-ABAIWWIYSA-N 1 1 324.381 -1.039 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)N1CCCC1 ZINC001402282950 924963929 /nfs/dbraw/zinc/96/39/29/924963929.db2.gz HFPCJHXZQHGNRI-CQSZACIVSA-N 1 1 323.353 -1.141 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)N1CCCC1 ZINC001402282950 924963933 /nfs/dbraw/zinc/96/39/33/924963933.db2.gz HFPCJHXZQHGNRI-CQSZACIVSA-N 1 1 323.353 -1.141 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001402287470 924965386 /nfs/dbraw/zinc/96/53/86/924965386.db2.gz URHNQNLGRPMDAM-HZMBPMFUSA-N 1 1 322.369 -1.740 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001402288929 924965581 /nfs/dbraw/zinc/96/55/81/924965581.db2.gz JOLUIKIZANAKMH-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COc1cncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001402288929 924965587 /nfs/dbraw/zinc/96/55/87/924965587.db2.gz JOLUIKIZANAKMH-CYBMUJFWSA-N 1 1 309.326 -1.863 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001402287266 924966027 /nfs/dbraw/zinc/96/60/27/924966027.db2.gz SVZYROPEZPPAFP-YRGRVCCFSA-N 1 1 304.387 -1.436 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001402287788 924966217 /nfs/dbraw/zinc/96/62/17/924966217.db2.gz PVBGJTOGLIBSTQ-CYBMUJFWSA-N 1 1 313.358 -3.544 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001402287788 924966223 /nfs/dbraw/zinc/96/62/23/924966223.db2.gz PVBGJTOGLIBSTQ-CYBMUJFWSA-N 1 1 313.358 -3.544 20 0 DAADMO Cn1ncc(CN2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001402287195 924966628 /nfs/dbraw/zinc/96/66/28/924966628.db2.gz OYISQOPRBXRTAF-UKRRQHHQSA-N 1 1 322.413 -1.038 20 0 DAADMO CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001402285429 924966961 /nfs/dbraw/zinc/96/69/61/924966961.db2.gz ZQIUNRVKJWXBGT-CQSZACIVSA-N 1 1 324.385 -1.414 20 0 DAADMO Cn1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001402301589 924967701 /nfs/dbraw/zinc/96/77/01/924967701.db2.gz BIRLVEFTDOUIKI-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001402301589 924967711 /nfs/dbraw/zinc/96/77/11/924967711.db2.gz BIRLVEFTDOUIKI-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001402297144 924967853 /nfs/dbraw/zinc/96/78/53/924967853.db2.gz UIGQZEFCRZAJAH-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001402297144 924967860 /nfs/dbraw/zinc/96/78/60/924967860.db2.gz UIGQZEFCRZAJAH-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402295421 924968332 /nfs/dbraw/zinc/96/83/32/924968332.db2.gz RRHJBBCHIAIILS-IAQYHMDHSA-N 1 1 321.381 -1.135 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001402303503 924968427 /nfs/dbraw/zinc/96/84/27/924968427.db2.gz ZDCRTBWJQWFSHE-CQSZACIVSA-N 1 1 324.385 -1.506 20 0 DAADMO Cn1ncnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402297726 924968600 /nfs/dbraw/zinc/96/86/00/924968600.db2.gz WZBWEOKIZAVLMM-IUODEOHRSA-N 1 1 322.413 -1.038 20 0 DAADMO Cn1cncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402295424 924969329 /nfs/dbraw/zinc/96/93/29/924969329.db2.gz RRHJBBCHIAIILS-NHYWBVRUSA-N 1 1 321.381 -1.135 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001402297667 924969371 /nfs/dbraw/zinc/96/93/71/924969371.db2.gz RZLGRHCVWYXWAH-ZDUSSCGKSA-N 1 1 311.317 -1.288 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001402297667 924969374 /nfs/dbraw/zinc/96/93/74/924969374.db2.gz RZLGRHCVWYXWAH-ZDUSSCGKSA-N 1 1 311.317 -1.288 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402300995 924969393 /nfs/dbraw/zinc/96/93/93/924969393.db2.gz WXSKAFXSFMXTGA-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402300995 924969396 /nfs/dbraw/zinc/96/93/96/924969396.db2.gz WXSKAFXSFMXTGA-DOMZBBRYSA-N 1 1 321.381 -1.216 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001402298587 924969403 /nfs/dbraw/zinc/96/94/03/924969403.db2.gz QZYPNRHKPHJJBP-TYNCELHUSA-N 1 1 313.398 -1.177 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402305490 924970208 /nfs/dbraw/zinc/97/02/08/924970208.db2.gz YFQWWGBSPPMTCG-MFKMUULPSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402305490 924970215 /nfs/dbraw/zinc/97/02/15/924970215.db2.gz YFQWWGBSPPMTCG-MFKMUULPSA-N 1 1 300.359 -2.061 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402309112 924970486 /nfs/dbraw/zinc/97/04/86/924970486.db2.gz DIQBYEHDGWIOIC-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402309112 924970495 /nfs/dbraw/zinc/97/04/95/924970495.db2.gz DIQBYEHDGWIOIC-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402305481 924970572 /nfs/dbraw/zinc/97/05/72/924970572.db2.gz YFQWWGBSPPMTCG-GWCFXTLKSA-N 1 1 300.359 -2.061 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402305481 924970577 /nfs/dbraw/zinc/97/05/77/924970577.db2.gz YFQWWGBSPPMTCG-GWCFXTLKSA-N 1 1 300.359 -2.061 20 0 DAADMO Cn1cncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402305430 924970638 /nfs/dbraw/zinc/97/06/38/924970638.db2.gz JFSXYAIMNKXSOO-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1cncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402305430 924970651 /nfs/dbraw/zinc/97/06/51/924970651.db2.gz JFSXYAIMNKXSOO-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402309178 924970942 /nfs/dbraw/zinc/97/09/42/924970942.db2.gz DRTHEOGUDJBRAX-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402309178 924970952 /nfs/dbraw/zinc/97/09/52/924970952.db2.gz DRTHEOGUDJBRAX-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]([NH2+]Cc2cnon2)C2CC2)c1=O ZINC001402307825 924971369 /nfs/dbraw/zinc/97/13/69/924971369.db2.gz CAYYQZOEWFLBKS-LLVKDONJSA-N 1 1 321.341 -1.351 20 0 DAADMO O=C(Cn1cnnn1)NCC1(O)C[NH+](CC[C@H]2CCOC2)C1 ZINC001402306830 924971402 /nfs/dbraw/zinc/97/14/02/924971402.db2.gz HIONCHVJSAJSLO-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO O=C(CCn1cncn1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001402304237 924971492 /nfs/dbraw/zinc/97/14/92/924971492.db2.gz TYPLJICVGXZOHY-LBPRGKRZSA-N 1 1 309.370 -1.132 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3cnon3)C2)C1 ZINC001402304258 924971650 /nfs/dbraw/zinc/97/16/50/924971650.db2.gz GKHBMCWYNPJAEF-NSHDSACASA-N 1 1 311.342 -1.937 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(Cc3cnon3)C2)C1 ZINC001402304258 924971654 /nfs/dbraw/zinc/97/16/54/924971654.db2.gz GKHBMCWYNPJAEF-NSHDSACASA-N 1 1 311.342 -1.937 20 0 DAADMO O=C(CN1CCOCC1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001402324068 924974904 /nfs/dbraw/zinc/97/49/04/924974904.db2.gz FYFXGALCIOPCGI-ZDUSSCGKSA-N 1 1 313.398 -1.482 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)n1cccn1 ZINC001402321653 924974938 /nfs/dbraw/zinc/97/49/38/924974938.db2.gz UKAMFNQKQPQBMQ-BXUZGUMPSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)n1cccn1 ZINC001402321653 924974941 /nfs/dbraw/zinc/97/49/41/924974941.db2.gz UKAMFNQKQPQBMQ-BXUZGUMPSA-N 1 1 309.370 -1.128 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402324735 924975136 /nfs/dbraw/zinc/97/51/36/924975136.db2.gz ZHFYAHYXKOAQQK-AWEZNQCLSA-N 1 1 320.353 -1.425 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001402324735 924975141 /nfs/dbraw/zinc/97/51/41/924975141.db2.gz ZHFYAHYXKOAQQK-AWEZNQCLSA-N 1 1 320.353 -1.425 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001402329507 924976371 /nfs/dbraw/zinc/97/63/71/924976371.db2.gz DHZCACCOVRJFAZ-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001402325670 924976682 /nfs/dbraw/zinc/97/66/82/924976682.db2.gz XLFNAFGHRBEMKD-NSHDSACASA-N 1 1 322.387 -3.165 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001402325670 924976683 /nfs/dbraw/zinc/97/66/83/924976683.db2.gz XLFNAFGHRBEMKD-NSHDSACASA-N 1 1 322.387 -3.165 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001402328449 924976703 /nfs/dbraw/zinc/97/67/03/924976703.db2.gz BLNBEJAEUFDJPC-UHFFFAOYSA-N 1 1 319.369 -1.166 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1COC(=O)N1 ZINC001402327948 924977010 /nfs/dbraw/zinc/97/70/10/924977010.db2.gz VIGGWCPJPCFEIB-MNOVXSKESA-N 1 1 313.354 -1.316 20 0 DAADMO CC[C@@H](C[NH+]1CC(O)(CNC(=O)c2cc(=O)n(C)cn2)C1)OC ZINC001402333411 924977553 /nfs/dbraw/zinc/97/75/53/924977553.db2.gz NGSIWPLGGNICOG-NSHDSACASA-N 1 1 324.381 -1.018 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001402337106 924979574 /nfs/dbraw/zinc/97/95/74/924979574.db2.gz QVKKHQCVXMMJMD-UHFFFAOYSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(CCn1ccnn1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001402337841 924980144 /nfs/dbraw/zinc/98/01/44/924980144.db2.gz SNJIXLYIICTEDR-LBPRGKRZSA-N 1 1 309.370 -1.132 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]([NH2+]Cc2ncnn2C)C2CC2)NC1=O ZINC001402339824 924981999 /nfs/dbraw/zinc/98/19/99/924981999.db2.gz WIIVKBKWWXARFO-GHMZBOCLSA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1 ZINC001402345158 924983163 /nfs/dbraw/zinc/98/31/63/924983163.db2.gz ZCNVOUPPZMBICH-NSHDSACASA-N 1 1 310.358 -1.595 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)NC1=O ZINC001402346318 924983719 /nfs/dbraw/zinc/98/37/19/924983719.db2.gz BLTQNQNDVTYZLQ-MNOVXSKESA-N 1 1 312.370 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)NC1=O ZINC001402346319 924983739 /nfs/dbraw/zinc/98/37/39/924983739.db2.gz BLTQNQNDVTYZLQ-QWRGUYRKSA-N 1 1 312.370 -1.791 20 0 DAADMO COCCN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001402351492 924985205 /nfs/dbraw/zinc/98/52/05/924985205.db2.gz GVGKUDXZLDBFJZ-UHFFFAOYSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001402354510 924986214 /nfs/dbraw/zinc/98/62/14/924986214.db2.gz FCEIIPHSHIJYSV-VIFPVBQESA-N 1 1 305.400 -1.503 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001402376793 924990830 /nfs/dbraw/zinc/99/08/30/924990830.db2.gz WANOURKWUIGULE-GFCCVEGCSA-N 1 1 322.413 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ncnn1)C2 ZINC001402423447 924993994 /nfs/dbraw/zinc/99/39/94/924993994.db2.gz IBLOWGGXDBRNDA-ZSBIGDGJSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001402420474 924994277 /nfs/dbraw/zinc/99/42/77/924994277.db2.gz LAXMIIWITQYJSE-TUAOUCFPSA-N 1 1 309.370 -1.174 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001402420467 924994658 /nfs/dbraw/zinc/99/46/58/924994658.db2.gz LAXMIIWITQYJSE-GRYCIOLGSA-N 1 1 309.370 -1.174 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(C)=O)C[C@H]2C1 ZINC001402416140 924994835 /nfs/dbraw/zinc/99/48/35/924994835.db2.gz KMXLPANHVJELMJ-SCUASFONSA-N 1 1 313.398 -1.092 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001402436363 924996112 /nfs/dbraw/zinc/99/61/12/924996112.db2.gz MMFUDRBSTFJKHB-USZNOCQGSA-N 1 1 312.370 -1.935 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001402436354 924996199 /nfs/dbraw/zinc/99/61/99/924996199.db2.gz MMFUDRBSTFJKHB-KXNHARMFSA-N 1 1 312.370 -1.935 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001402457890 924997934 /nfs/dbraw/zinc/99/79/34/924997934.db2.gz DIXYXNWYUJQGSW-GXFFZTMASA-N 1 1 312.374 -1.198 20 0 DAADMO CN1C[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)CC1=O ZINC001402452136 924999013 /nfs/dbraw/zinc/99/90/13/924999013.db2.gz OYJIPDBZCDDEFW-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001402456672 924999103 /nfs/dbraw/zinc/99/91/03/924999103.db2.gz MXPAFIPASAIJTN-JQWIXIFHSA-N 1 1 321.399 -2.387 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402458673 924999181 /nfs/dbraw/zinc/99/91/81/924999181.db2.gz WIATYAUOOFSNMH-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO C[C@H](CC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1)NC(N)=O ZINC001402453546 924999243 /nfs/dbraw/zinc/99/92/43/924999243.db2.gz QRKJOJPTRIISPW-BXUZGUMPSA-N 1 1 316.402 -1.241 20 0 DAADMO CC(C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402449330 924999636 /nfs/dbraw/zinc/99/96/36/924999636.db2.gz FFOVUNIKVFKBPG-AWEZNQCLSA-N 1 1 311.386 -1.067 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)CC1=O ZINC001402452145 924999959 /nfs/dbraw/zinc/99/99/59/924999959.db2.gz OYJIPDBZCDDEFW-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCO ZINC001402473671 925000798 /nfs/dbraw/zinc/00/07/98/925000798.db2.gz KNLSBASEGBCFJL-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCO ZINC001402473670 925001048 /nfs/dbraw/zinc/00/10/48/925001048.db2.gz KNLSBASEGBCFJL-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH]nn2)C1=O ZINC001402479242 925003171 /nfs/dbraw/zinc/00/31/71/925003171.db2.gz MNGHDKWYSGKRDB-GFCCVEGCSA-N 1 1 324.385 -1.622 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2cnn[nH]2)C1=O ZINC001402479242 925003180 /nfs/dbraw/zinc/00/31/80/925003180.db2.gz MNGHDKWYSGKRDB-GFCCVEGCSA-N 1 1 324.385 -1.622 20 0 DAADMO CN1CC(C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)=NC1=O ZINC001402480377 925003825 /nfs/dbraw/zinc/00/38/25/925003825.db2.gz OTRCFBMFKZIUJI-SECBINFHSA-N 1 1 311.342 -1.962 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001402492118 925004036 /nfs/dbraw/zinc/00/40/36/925004036.db2.gz IIRUDIFPEGFWFD-OPRDCNLKSA-N 1 1 324.389 -1.173 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001402518991 925007491 /nfs/dbraw/zinc/00/74/91/925007491.db2.gz RTKGPUKVUYJZSO-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001402518991 925007499 /nfs/dbraw/zinc/00/74/99/925007499.db2.gz RTKGPUKVUYJZSO-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001402522093 925008000 /nfs/dbraw/zinc/00/80/00/925008000.db2.gz YBZRABLRTPJQHP-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@H+]1C[C@@H]1CCCOC1 ZINC001402522093 925008003 /nfs/dbraw/zinc/00/80/03/925008003.db2.gz YBZRABLRTPJQHP-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO Cc1ncc(C(=O)N(CCO)CC[NH2+][C@H]2CCN(C)C2=O)[nH]1 ZINC001402527825 925009281 /nfs/dbraw/zinc/00/92/81/925009281.db2.gz BLWDSMUXTIMRJP-NSHDSACASA-N 1 1 309.370 -1.027 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001402533704 925009596 /nfs/dbraw/zinc/00/95/96/925009596.db2.gz STDCYQJTPFELRN-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001402533704 925009604 /nfs/dbraw/zinc/00/96/04/925009604.db2.gz STDCYQJTPFELRN-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001402558680 925010606 /nfs/dbraw/zinc/01/06/06/925010606.db2.gz CCXKFYYTILIQKN-XSPKLOCKSA-N 1 1 310.362 -1.435 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001402565904 925010924 /nfs/dbraw/zinc/01/09/24/925010924.db2.gz XYWUZWQCHDWMSH-JTQLQIEISA-N 1 1 322.373 -1.271 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)C1 ZINC001402566026 925011577 /nfs/dbraw/zinc/01/15/77/925011577.db2.gz QUSPPMDDACKZSG-ABAIWWIYSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cc[nH]n1)c1nnnn1C ZINC001402543240 925011701 /nfs/dbraw/zinc/01/17/01/925011701.db2.gz LFDCWTIESFSEKL-VIFPVBQESA-N 1 1 308.346 -1.282 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001402579807 925012769 /nfs/dbraw/zinc/01/27/69/925012769.db2.gz WDDMKZLIGYSOIC-DTORHVGOSA-N 1 1 322.373 -1.326 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001402597482 925015297 /nfs/dbraw/zinc/01/52/97/925015297.db2.gz OUSOEUPKPIKJMM-WCBMZHEXSA-N 1 1 312.330 -1.557 20 0 DAADMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1)S(C)(=O)=O ZINC001402603877 925015724 /nfs/dbraw/zinc/01/57/24/925015724.db2.gz GDGHCLJLZAKMEL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001402626817 925019315 /nfs/dbraw/zinc/01/93/15/925019315.db2.gz XXGROQDTBCPUPP-XHNCKOQMSA-N 1 1 317.371 -1.256 20 0 DAADMO CN(CCC[N@@H+](C)CCO)C(=O)CN1CCC(=O)NC1=O ZINC001402659464 925019617 /nfs/dbraw/zinc/01/96/17/925019617.db2.gz UVUOVGYXSKOENG-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001402640717 925019667 /nfs/dbraw/zinc/01/96/67/925019667.db2.gz CPZNRHQHVKGUJM-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CN(C)S(C)(=O)=O ZINC001402632735 925019915 /nfs/dbraw/zinc/01/99/15/925019915.db2.gz LOUSWOOAWMKSOO-UHFFFAOYSA-N 1 1 308.404 -1.857 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001402631060 925019984 /nfs/dbraw/zinc/01/99/84/925019984.db2.gz GEOXITNTRVIKMB-MNOVXSKESA-N 1 1 303.359 -1.118 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402650048 925020183 /nfs/dbraw/zinc/02/01/83/925020183.db2.gz AHQPRVALMRAJEG-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001402651177 925020683 /nfs/dbraw/zinc/02/06/83/925020683.db2.gz DHYJLSAIGUVALV-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001402668711 925020931 /nfs/dbraw/zinc/02/09/31/925020931.db2.gz YXSQLHNIFUDUFU-JTQLQIEISA-N 1 1 310.395 -1.162 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1)C(N)=O ZINC001402668265 925021008 /nfs/dbraw/zinc/02/10/08/925021008.db2.gz KAJHNAFRBGCZRU-RYUDHWBXSA-N 1 1 314.386 -1.813 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001402665950 925021078 /nfs/dbraw/zinc/02/10/78/925021078.db2.gz QFURQQDJHPCHKN-NSHDSACASA-N 1 1 322.431 -1.749 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CN1CCNC(=O)C1)O2 ZINC001402688350 925021187 /nfs/dbraw/zinc/02/11/87/925021187.db2.gz NXFAQFDOKGKPIL-LBPRGKRZSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001402692124 925022183 /nfs/dbraw/zinc/02/21/83/925022183.db2.gz JSPAJLREHTUEMM-NEPJUHHUSA-N 1 1 324.385 -1.206 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001402728214 925024658 /nfs/dbraw/zinc/02/46/58/925024658.db2.gz ZNYCVFXTHFZMDO-ZDUSSCGKSA-N 1 1 319.427 -1.158 20 0 DAADMO C[NH+]1CCC(C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)CC1 ZINC001402721544 925025744 /nfs/dbraw/zinc/02/57/44/925025744.db2.gz ODJNUKHMCAXACN-HNNXBMFYSA-N 1 1 312.414 -1.243 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001402765623 925026354 /nfs/dbraw/zinc/02/63/54/925026354.db2.gz OESMKRNOJQFNPR-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402762679 925026707 /nfs/dbraw/zinc/02/67/07/925026707.db2.gz HVVFSAGRBCRMPP-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001402752591 925026780 /nfs/dbraw/zinc/02/67/80/925026780.db2.gz PQRBJHHEYQVJSD-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO CNC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001402748487 925027487 /nfs/dbraw/zinc/02/74/87/925027487.db2.gz FPDRWGCWNCJNHF-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789210 925030197 /nfs/dbraw/zinc/03/01/97/925030197.db2.gz BVFQDWHPRFLGHD-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001402789210 925030207 /nfs/dbraw/zinc/03/02/07/925030207.db2.gz BVFQDWHPRFLGHD-RWHSBRQSSA-N 1 1 310.354 -1.347 20 0 DAADMO Cc1nnc(C[NH2+]CC2(O)CCN(C(=O)c3nc[nH]n3)CC2)[nH]1 ZINC001402806354 925032182 /nfs/dbraw/zinc/03/21/82/925032182.db2.gz UIYXTFMFFCWRSC-UHFFFAOYSA-N 1 1 320.357 -1.012 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001402811254 925032427 /nfs/dbraw/zinc/03/24/27/925032427.db2.gz ONAYRINCOBFWBE-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CNC(C)=O)CC1 ZINC001402859259 925033190 /nfs/dbraw/zinc/03/31/90/925033190.db2.gz YBKQZAQRTLWODM-NSHDSACASA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001402846908 925034546 /nfs/dbraw/zinc/03/45/46/925034546.db2.gz SLLTVMKSFVLHMO-MRVPVSSYSA-N 1 1 305.346 -1.037 20 0 DAADMO Cn1cncc1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001402875718 925034975 /nfs/dbraw/zinc/03/49/75/925034975.db2.gz IQXWMEZVKXOJSK-LLVKDONJSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccncn2)CC1 ZINC001402877615 925035637 /nfs/dbraw/zinc/03/56/37/925035637.db2.gz MUSBCDMFFWNGDY-SNVBAGLBSA-N 1 1 307.354 -1.093 20 0 DAADMO O=C(Cc1ncc[nH]1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001402879910 925035821 /nfs/dbraw/zinc/03/58/21/925035821.db2.gz UAOCVMCVWUJDQE-LLVKDONJSA-N 1 1 321.381 -1.216 20 0 DAADMO Cn1cc(C(=O)NC2(CO)CC[NH+]([C@H]3CCNC3=O)CC2)cn1 ZINC001402868413 925036403 /nfs/dbraw/zinc/03/64/03/925036403.db2.gz ICZMCUAYKFBMOS-LBPRGKRZSA-N 1 1 321.381 -1.135 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001402876877 925036545 /nfs/dbraw/zinc/03/65/45/925036545.db2.gz QGPHEUGTTQWSFC-VWYCJHECSA-N 1 1 324.381 -2.061 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402896257 925038097 /nfs/dbraw/zinc/03/80/97/925038097.db2.gz OXWDKNMFAUMAKP-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO C[C@H](C(N)=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402889895 925038335 /nfs/dbraw/zinc/03/83/35/925038335.db2.gz IPVKWNOZWAQEBG-NEPJUHHUSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1nnnn1C ZINC001402926105 925040093 /nfs/dbraw/zinc/04/00/93/925040093.db2.gz IIRXPFRIPXKXBP-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@H](CNC(=O)CCS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001402907850 925040996 /nfs/dbraw/zinc/04/09/96/925040996.db2.gz NQPZEUWLGZYFKD-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001402907061 925041370 /nfs/dbraw/zinc/04/13/70/925041370.db2.gz UERVKBQZGMHNGS-NEPJUHHUSA-N 1 1 312.374 -1.397 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001402918012 925041774 /nfs/dbraw/zinc/04/17/74/925041774.db2.gz AJQOWIMFRAURPQ-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1nnnn1C ZINC001402902251 925041855 /nfs/dbraw/zinc/04/18/55/925041855.db2.gz AGQOANJEJHFUJH-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001402933541 925042067 /nfs/dbraw/zinc/04/20/67/925042067.db2.gz LXQNPKHNNIAARA-NWDGAFQWSA-N 1 1 316.402 -1.025 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1nnnn1C ZINC001402962730 925043455 /nfs/dbraw/zinc/04/34/55/925043455.db2.gz UWNUPRYHPWKTPV-MRBYEJRBSA-N 1 1 324.385 -1.144 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001402982273 925044696 /nfs/dbraw/zinc/04/46/96/925044696.db2.gz TTWGFJSWPFLHLE-ZJUUUORDSA-N 1 1 307.362 -1.033 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001402982272 925044849 /nfs/dbraw/zinc/04/48/49/925044849.db2.gz TTWGFJSWPFLHLE-VHSXEESVSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001402985703 925045302 /nfs/dbraw/zinc/04/53/02/925045302.db2.gz FTJWRIWEBJDRSL-WPRPVWTQSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnc2n1CCOC2 ZINC001402992293 925045321 /nfs/dbraw/zinc/04/53/21/925045321.db2.gz CGOZCHNSZFANSF-AEJSXWLSSA-N 1 1 322.369 -1.476 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001402982271 925045400 /nfs/dbraw/zinc/04/54/00/925045400.db2.gz TTWGFJSWPFLHLE-UWVGGRQHSA-N 1 1 307.362 -1.033 20 0 DAADMO C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001402972685 925045754 /nfs/dbraw/zinc/04/57/54/925045754.db2.gz YQKSRAVRPVAPSQ-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001402991987 925045831 /nfs/dbraw/zinc/04/58/31/925045831.db2.gz GVNJBSQWWQKERV-HTQZYQBOSA-N 1 1 320.375 -1.894 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1nncn1C ZINC001403005313 925046673 /nfs/dbraw/zinc/04/66/73/925046673.db2.gz JCRDBXYGQVESIE-KXUCPTDWSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032796 925047729 /nfs/dbraw/zinc/04/77/29/925047729.db2.gz KXJMSJXFVVAIOH-RKDXNWHRSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032796 925047737 /nfs/dbraw/zinc/04/77/37/925047737.db2.gz KXJMSJXFVVAIOH-RKDXNWHRSA-N 1 1 323.357 -2.141 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001403064152 925048706 /nfs/dbraw/zinc/04/87/06/925048706.db2.gz YGFGWIXQFWDEHX-IUCAKERBSA-N 1 1 310.358 -1.109 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1nncn1C ZINC001403059287 925048760 /nfs/dbraw/zinc/04/87/60/925048760.db2.gz RXGKJXKMVZHBTC-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001403060180 925050381 /nfs/dbraw/zinc/05/03/81/925050381.db2.gz ZWPALTCPKZGAPW-JGVFFNPUSA-N 1 1 319.391 -2.258 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403064026 925050695 /nfs/dbraw/zinc/05/06/95/925050695.db2.gz WXUKLEKPHQMIBC-IUCAKERBSA-N 1 1 323.357 -1.510 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)[N@H+](C)CC(=O)NC(N)=O ZINC001403110890 925051593 /nfs/dbraw/zinc/05/15/93/925051593.db2.gz XHHZLIBPVJQJLV-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@@H](CNC(=O)CCn1cncn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001403110890 925051602 /nfs/dbraw/zinc/05/16/02/925051602.db2.gz XHHZLIBPVJQJLV-VIFPVBQESA-N 1 1 311.346 -1.700 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1nnnn1C ZINC001403104601 925053092 /nfs/dbraw/zinc/05/30/92/925053092.db2.gz FRQASXGYCNQBJD-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001403122963 925053789 /nfs/dbraw/zinc/05/37/89/925053789.db2.gz FEGDMCOLMYUFLS-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001403122963 925053797 /nfs/dbraw/zinc/05/37/97/925053797.db2.gz FEGDMCOLMYUFLS-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)c1ccncc1)[N@H+](C)CC(N)=O ZINC001403132031 925053918 /nfs/dbraw/zinc/05/39/18/925053918.db2.gz XIDLXXZLEXPYJG-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](CNC(=O)CNC(=O)c1ccncc1)[N@@H+](C)CC(N)=O ZINC001403132031 925053926 /nfs/dbraw/zinc/05/39/26/925053926.db2.gz XIDLXXZLEXPYJG-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)[C@H]1CCNC1=O ZINC001403141741 925054099 /nfs/dbraw/zinc/05/40/99/925054099.db2.gz LPTYCKMCLGZNDN-ONGXEEELSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001403143909 925054543 /nfs/dbraw/zinc/05/45/43/925054543.db2.gz SOZNVYZPKHLSRB-WDEREUQCSA-N 1 1 312.370 -1.636 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001403136510 925054661 /nfs/dbraw/zinc/05/46/61/925054661.db2.gz GFJXGDOZPBHGHL-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001403136510 925054671 /nfs/dbraw/zinc/05/46/71/925054671.db2.gz GFJXGDOZPBHGHL-MRVPVSSYSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)[C@H]1CCNC1=O ZINC001403141736 925054876 /nfs/dbraw/zinc/05/48/76/925054876.db2.gz LPTYCKMCLGZNDN-KOLCDFICSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)CCn1cncn1 ZINC001403167475 925056238 /nfs/dbraw/zinc/05/62/38/925056238.db2.gz SYAHKFFOLDDZTP-GFCCVEGCSA-N 1 1 323.401 -1.854 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001403173906 925056557 /nfs/dbraw/zinc/05/65/57/925056557.db2.gz PDTABHCMDBLUDW-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001403163895 925057256 /nfs/dbraw/zinc/05/72/56/925057256.db2.gz CFMFKTHJMQJXKR-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001403163895 925057264 /nfs/dbraw/zinc/05/72/64/925057264.db2.gz CFMFKTHJMQJXKR-ZETCQYMHSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001403174903 925057642 /nfs/dbraw/zinc/05/76/42/925057642.db2.gz APPTZKJHSCQPCP-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001403174903 925057655 /nfs/dbraw/zinc/05/76/55/925057655.db2.gz APPTZKJHSCQPCP-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001403162088 925058001 /nfs/dbraw/zinc/05/80/01/925058001.db2.gz ODTZSCYQOGCUMQ-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CCNC(=O)CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001403194103 925059353 /nfs/dbraw/zinc/05/93/53/925059353.db2.gz DZRSPVQQYAQEQB-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)[N@H+](C)C[C@H](C)O ZINC001403184675 925059529 /nfs/dbraw/zinc/05/95/29/925059529.db2.gz JPYLMGYKHXRRLZ-ZJUUUORDSA-N 1 1 310.420 -1.800 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N@H+](C)CC(N)=O ZINC001403196117 925060146 /nfs/dbraw/zinc/06/01/46/925060146.db2.gz KINUBDYPGTUXNP-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N@@H+](C)CC(N)=O ZINC001403196117 925060149 /nfs/dbraw/zinc/06/01/49/925060149.db2.gz KINUBDYPGTUXNP-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001403210763 925061716 /nfs/dbraw/zinc/06/17/16/925061716.db2.gz CKDHHCGARNYCSV-UHFFFAOYSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc2ncccn2n1)[N@H+](C)[C@@H](C)C(N)=O ZINC001403206518 925061777 /nfs/dbraw/zinc/06/17/77/925061777.db2.gz SPNBGOHJSUCGAB-UWVGGRQHSA-N 1 1 319.369 -1.023 20 0 DAADMO C[C@@H](CNC(=O)Cc1nc2ncccn2n1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001403206518 925061786 /nfs/dbraw/zinc/06/17/86/925061786.db2.gz SPNBGOHJSUCGAB-UWVGGRQHSA-N 1 1 319.369 -1.023 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001403206014 925061814 /nfs/dbraw/zinc/06/18/14/925061814.db2.gz WVDMYROMIXIJGY-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001403206014 925061823 /nfs/dbraw/zinc/06/18/23/925061823.db2.gz WVDMYROMIXIJGY-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO COc1ncc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001403202143 925061902 /nfs/dbraw/zinc/06/19/02/925061902.db2.gz ZKRLLAHJRRSYFX-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1ncc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001403202143 925061909 /nfs/dbraw/zinc/06/19/09/925061909.db2.gz ZKRLLAHJRRSYFX-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@H+](C)[C@H](C)C(N)=O ZINC001403209410 925062083 /nfs/dbraw/zinc/06/20/83/925062083.db2.gz VXHDKCBPZUUBSO-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[N@@H+](C)[C@H](C)C(N)=O ZINC001403209410 925062092 /nfs/dbraw/zinc/06/20/92/925062092.db2.gz VXHDKCBPZUUBSO-RKDXNWHRSA-N 1 1 308.404 -1.812 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001403294332 925068700 /nfs/dbraw/zinc/06/87/00/925068700.db2.gz CPJYNDDPMZPMHE-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001403320029 925069750 /nfs/dbraw/zinc/06/97/50/925069750.db2.gz BVZUSTITMAQUDQ-DTWKUNHWSA-N 1 1 323.357 -1.702 20 0 DAADMO C[C@@H](NC(=O)CCn1ncn(C)c1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403309399 925071120 /nfs/dbraw/zinc/07/11/20/925071120.db2.gz FVSZNKWUJFOZRR-NXEZZACHSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CCCS(N)(=O)=O)C1 ZINC001403316074 925071199 /nfs/dbraw/zinc/07/11/99/925071199.db2.gz DHXQTDNLCDZNLI-DTWKUNHWSA-N 1 1 320.415 -1.635 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001403320014 925071261 /nfs/dbraw/zinc/07/12/61/925071261.db2.gz BVZUSTITMAQUDQ-BDAKNGLRSA-N 1 1 323.357 -1.702 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(C[C@H](C)O)C2)C1 ZINC001403346962 925071658 /nfs/dbraw/zinc/07/16/58/925071658.db2.gz VYKIDKXPEHWYGB-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(C[C@H](C)O)C2)C1 ZINC001403346962 925071670 /nfs/dbraw/zinc/07/16/70/925071670.db2.gz VYKIDKXPEHWYGB-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2)NC(N)=O ZINC001403358424 925072571 /nfs/dbraw/zinc/07/25/71/925072571.db2.gz YPPNTDZERKKGCQ-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2)NC(N)=O ZINC001403358424 925072574 /nfs/dbraw/zinc/07/25/74/925072574.db2.gz YPPNTDZERKKGCQ-RISCZKNCSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2)NC(N)=O ZINC001403358430 925072605 /nfs/dbraw/zinc/07/26/05/925072605.db2.gz YPPNTDZERKKGCQ-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2)NC(N)=O ZINC001403358430 925072613 /nfs/dbraw/zinc/07/26/13/925072613.db2.gz YPPNTDZERKKGCQ-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403333751 925073201 /nfs/dbraw/zinc/07/32/01/925073201.db2.gz VQIMFROKKFOMOJ-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001403380442 925073545 /nfs/dbraw/zinc/07/35/45/925073545.db2.gz BFQLUAHYJIFLRP-XYYAHUGASA-N 1 1 323.397 -1.558 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(=O)C3CC3)[C@@H]2C1 ZINC001403374372 925073768 /nfs/dbraw/zinc/07/37/68/925073768.db2.gz JNVFESCYSDRPCI-XYYAHUGASA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001403371096 925074001 /nfs/dbraw/zinc/07/40/01/925074001.db2.gz FLETUJSGBKCRIR-RTCCRHLQSA-N 1 1 311.386 -1.702 20 0 DAADMO COCC1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001403381552 925074336 /nfs/dbraw/zinc/07/43/36/925074336.db2.gz MSBZTRIZYVBPPK-RTCCRHLQSA-N 1 1 324.381 -1.098 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[N@@H+](C[C@@H](O)COC)CC1(C)C ZINC001403373174 925074449 /nfs/dbraw/zinc/07/44/49/925074449.db2.gz ZLNGBKWCHKEXNM-MNOVXSKESA-N 1 1 316.402 -1.251 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC001403363688 925074665 /nfs/dbraw/zinc/07/46/65/925074665.db2.gz OCVOBGMFMAIDEX-JTQLQIEISA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC001403363688 925074675 /nfs/dbraw/zinc/07/46/75/925074675.db2.gz OCVOBGMFMAIDEX-JTQLQIEISA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001403371247 925074798 /nfs/dbraw/zinc/07/47/98/925074798.db2.gz YSJBMOZEPBVKTQ-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001403377428 925074831 /nfs/dbraw/zinc/07/48/31/925074831.db2.gz AKLHGQRRSBIMOH-OWUUHHOZSA-N 1 1 307.358 -1.746 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001403400106 925076041 /nfs/dbraw/zinc/07/60/41/925076041.db2.gz DLWZBOOVPYFSOE-WISYIIOYSA-N 1 1 323.397 -1.431 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001403403285 925076460 /nfs/dbraw/zinc/07/64/60/925076460.db2.gz FGOMLGJIHMPAHN-YFKTTZPYSA-N 1 1 319.369 -1.754 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001403437946 925076976 /nfs/dbraw/zinc/07/69/76/925076976.db2.gz ZKXVFNQVIAADRB-MLGHIDQZSA-N 1 1 322.409 -1.120 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001403420007 925077992 /nfs/dbraw/zinc/07/79/92/925077992.db2.gz POAHUISFJMUXPG-KKOKHZNYSA-N 1 1 319.427 -1.136 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001403489479 925078357 /nfs/dbraw/zinc/07/83/57/925078357.db2.gz MPHWMZQTPOFLNF-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001403474291 925078658 /nfs/dbraw/zinc/07/86/58/925078658.db2.gz GJMMBCUPLVLUKI-MMWGEVLESA-N 1 1 315.395 -1.787 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001403468559 925078692 /nfs/dbraw/zinc/07/86/92/925078692.db2.gz LHFIBUCVIHLQND-UHFFFAOYSA-N 1 1 309.330 -1.464 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001403496041 925079716 /nfs/dbraw/zinc/07/97/16/925079716.db2.gz QOJTYISHJNTMNJ-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1 ZINC001403496041 925079723 /nfs/dbraw/zinc/07/97/23/925079723.db2.gz QOJTYISHJNTMNJ-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001403527865 925080376 /nfs/dbraw/zinc/08/03/76/925080376.db2.gz QVHZYXZRUXFZIW-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403533396 925080550 /nfs/dbraw/zinc/08/05/50/925080550.db2.gz FYBBYUFBVYTREH-UHFFFAOYSA-N 1 1 315.374 -2.178 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC001403533396 925080560 /nfs/dbraw/zinc/08/05/60/925080560.db2.gz FYBBYUFBVYTREH-UHFFFAOYSA-N 1 1 315.374 -2.178 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001403515723 925080804 /nfs/dbraw/zinc/08/08/04/925080804.db2.gz PUJPEODUOUCCDU-JHEVNIALSA-N 1 1 322.409 -1.059 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403512876 925081682 /nfs/dbraw/zinc/08/16/82/925081682.db2.gz AHJFUGDHKNQDJX-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC001403512876 925081691 /nfs/dbraw/zinc/08/16/91/925081691.db2.gz AHJFUGDHKNQDJX-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO C[N@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)[C@@H]1CCNC1=O ZINC001403559546 925082820 /nfs/dbraw/zinc/08/28/20/925082820.db2.gz ATTNTNMPWNTRSN-SECBINFHSA-N 1 1 309.374 -1.022 20 0 DAADMO C[N@@H+](CCNC(=O)c1nnn(C(C)(C)C)n1)[C@@H]1CCNC1=O ZINC001403559546 925082829 /nfs/dbraw/zinc/08/28/29/925082829.db2.gz ATTNTNMPWNTRSN-SECBINFHSA-N 1 1 309.374 -1.022 20 0 DAADMO CNC(=O)NCCC(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001403546348 925083014 /nfs/dbraw/zinc/08/30/14/925083014.db2.gz KVESRSZJQOLRIN-UHFFFAOYSA-N 1 1 314.390 -1.621 20 0 DAADMO C[N@@H+](CCNC(=O)CO[C@@H]1CCOC1)CCN1CCNC1=O ZINC001403559529 925083356 /nfs/dbraw/zinc/08/33/56/925083356.db2.gz LULYTFBQIXGGSH-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(=O)NC ZINC001403560246 925083411 /nfs/dbraw/zinc/08/34/11/925083411.db2.gz DIGHAMJMFSOUGL-UHFFFAOYSA-N 1 1 316.362 -2.191 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)NC ZINC001403560246 925083416 /nfs/dbraw/zinc/08/34/16/925083416.db2.gz DIGHAMJMFSOUGL-UHFFFAOYSA-N 1 1 316.362 -2.191 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001403551661 925084528 /nfs/dbraw/zinc/08/45/28/925084528.db2.gz WXAPMJOPBQTBNX-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nn1 ZINC001403551661 925084538 /nfs/dbraw/zinc/08/45/38/925084538.db2.gz WXAPMJOPBQTBNX-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001403552515 925084603 /nfs/dbraw/zinc/08/46/03/925084603.db2.gz YXPIDMBSTQSDJV-UHFFFAOYSA-N 1 1 309.374 -1.015 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001403571610 925085158 /nfs/dbraw/zinc/08/51/58/925085158.db2.gz RRFPDUCAQFCSNJ-IUCAKERBSA-N 1 1 312.378 -1.363 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)ncn1 ZINC001403570856 925086417 /nfs/dbraw/zinc/08/64/17/925086417.db2.gz YTCJQHBCMGCWGH-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)ncn1 ZINC001403570856 925086422 /nfs/dbraw/zinc/08/64/22/925086422.db2.gz YTCJQHBCMGCWGH-QMMMGPOBSA-N 1 1 324.341 -1.270 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001403600352 925087649 /nfs/dbraw/zinc/08/76/49/925087649.db2.gz ZSSKORCUYDGBFU-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)CCN1CCNC1=O ZINC001403599226 925087930 /nfs/dbraw/zinc/08/79/30/925087930.db2.gz QHDPRWLSYCXJQF-UHFFFAOYSA-N 1 1 308.342 -1.131 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cc1Cl ZINC001403613503 925088972 /nfs/dbraw/zinc/08/89/72/925088972.db2.gz DQWUIMYCZHXPCE-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cc1Cl ZINC001403613503 925088980 /nfs/dbraw/zinc/08/89/80/925088980.db2.gz DQWUIMYCZHXPCE-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)CCn2cncn2)c1=O ZINC001403592404 925089687 /nfs/dbraw/zinc/08/96/87/925089687.db2.gz RGISTDLDPKIWDX-UHFFFAOYSA-N 1 1 308.346 -2.079 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001403596499 925089762 /nfs/dbraw/zinc/08/97/62/925089762.db2.gz VCCKQCYWZNFIEV-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCCNC1=O)CCn1cncn1 ZINC001403623437 925090755 /nfs/dbraw/zinc/09/07/55/925090755.db2.gz WRYNCNHAZOUKNK-UHFFFAOYSA-N 1 1 309.374 -1.259 20 0 DAADMO Cc1nccc(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001403639320 925092302 /nfs/dbraw/zinc/09/23/02/925092302.db2.gz LPRHZSVLALYHBP-UHFFFAOYSA-N 1 1 322.369 -1.039 20 0 DAADMO Cc1nccc(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001403639320 925092309 /nfs/dbraw/zinc/09/23/09/925092309.db2.gz LPRHZSVLALYHBP-UHFFFAOYSA-N 1 1 322.369 -1.039 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCNC(=O)CC1)CC(=O)NC(N)=O ZINC001403643470 925093621 /nfs/dbraw/zinc/09/36/21/925093621.db2.gz QSRBJJGTEJVSAJ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)CC1)CC(=O)NC(N)=O ZINC001403643470 925093630 /nfs/dbraw/zinc/09/36/30/925093630.db2.gz QSRBJJGTEJVSAJ-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001403645699 925094515 /nfs/dbraw/zinc/09/45/15/925094515.db2.gz KFWLSEFBHQTQQK-SNVBAGLBSA-N 1 1 305.356 -1.406 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCCN(C)C2=O)n[nH]1 ZINC001403646173 925094751 /nfs/dbraw/zinc/09/47/51/925094751.db2.gz AHNOUFOEOWSIKK-QWRGUYRKSA-N 1 1 324.385 -1.657 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403649427 925096243 /nfs/dbraw/zinc/09/62/43/925096243.db2.gz KIVRTEXUZZAXRW-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n(C)n1 ZINC001403652631 925098662 /nfs/dbraw/zinc/09/86/62/925098662.db2.gz RCXAAUVXLAZBCM-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ncc(CN[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001403654801 925100907 /nfs/dbraw/zinc/10/09/07/925100907.db2.gz ABQCVWPRZMWPRZ-GFCCVEGCSA-N 1 1 310.402 -1.134 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)n1cncn1 ZINC001403659838 925103005 /nfs/dbraw/zinc/10/30/05/925103005.db2.gz OLOVQEMPERUKJK-JQWIXIFHSA-N 1 1 307.358 -1.161 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CN2CCOCC2)on1 ZINC001403659792 925103138 /nfs/dbraw/zinc/10/31/38/925103138.db2.gz OIHSSYLJGRYSQZ-LBPRGKRZSA-N 1 1 312.370 -1.118 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001403661772 925104629 /nfs/dbraw/zinc/10/46/29/925104629.db2.gz UIAJPKVNVKGUQW-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)C1=O ZINC001403665006 925106891 /nfs/dbraw/zinc/10/68/91/925106891.db2.gz KFVGGXURJHQLSJ-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CCN2CCNC2=O)NC1=O ZINC001403668197 925108226 /nfs/dbraw/zinc/10/82/26/925108226.db2.gz WSGLQWVSDYFZAK-SNVBAGLBSA-N 1 1 312.374 -1.917 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001403670426 925108384 /nfs/dbraw/zinc/10/83/84/925108384.db2.gz KNDCUKOSGXURGF-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001403668224 925108421 /nfs/dbraw/zinc/10/84/21/925108421.db2.gz JOSPHOGSOOOBSK-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001403668744 925108882 /nfs/dbraw/zinc/10/88/82/925108882.db2.gz MKVLTFKCTPDPBA-UWVGGRQHSA-N 1 1 312.374 -1.704 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001403670161 925109169 /nfs/dbraw/zinc/10/91/69/925109169.db2.gz WVCVXPGWTPXQKH-CQSZACIVSA-N 1 1 308.382 -1.020 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001403668220 925109189 /nfs/dbraw/zinc/10/91/89/925109189.db2.gz LJAWPEWTOVVZCP-GHMZBOCLSA-N 1 1 311.386 -1.099 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001403670954 925110353 /nfs/dbraw/zinc/11/03/53/925110353.db2.gz LXYQWYIQWSVMJY-JTQLQIEISA-N 1 1 309.330 -1.455 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCNC(=O)CC1 ZINC001403673996 925110431 /nfs/dbraw/zinc/11/04/31/925110431.db2.gz QVYAJPVDQUJARV-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001403670968 925110820 /nfs/dbraw/zinc/11/08/20/925110820.db2.gz LXYQWYIQWSVMJY-SNVBAGLBSA-N 1 1 309.330 -1.455 20 0 DAADMO C[C@H]1COCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403682318 925114670 /nfs/dbraw/zinc/11/46/70/925114670.db2.gz HFFROOYUDSNZQC-UWVGGRQHSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@H]1COCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403682318 925114678 /nfs/dbraw/zinc/11/46/78/925114678.db2.gz HFFROOYUDSNZQC-UWVGGRQHSA-N 1 1 300.359 -1.098 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001403694846 925118338 /nfs/dbraw/zinc/11/83/38/925118338.db2.gz CWZJZQHSPVYOBN-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)N[C@H]2CCCNC2=O)CC1 ZINC001403693479 925118729 /nfs/dbraw/zinc/11/87/29/925118729.db2.gz BQQBGZBDNXRKED-STQMWFEESA-N 1 1 312.414 -1.327 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001403695995 925119232 /nfs/dbraw/zinc/11/92/32/925119232.db2.gz JWAOCYMMMLCQFS-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1nnnc1C(C)C ZINC001403695995 925119237 /nfs/dbraw/zinc/11/92/37/925119237.db2.gz JWAOCYMMMLCQFS-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403702118 925120450 /nfs/dbraw/zinc/12/04/50/925120450.db2.gz HWRSULREQQUZBA-VIFPVBQESA-N 1 1 321.341 -1.738 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001403705954 925122865 /nfs/dbraw/zinc/12/28/65/925122865.db2.gz SLXCBQXRHMEVAJ-AXFHLTTASA-N 1 1 323.353 -1.827 20 0 DAADMO CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001403707337 925124701 /nfs/dbraw/zinc/12/47/01/925124701.db2.gz VGRAXKYBMHWSAG-IUCAKERBSA-N 1 1 303.363 -2.412 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403708827 925125167 /nfs/dbraw/zinc/12/51/67/925125167.db2.gz YCISTSBKEZPIHO-TUAOUCFPSA-N 1 1 322.365 -1.222 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001403711979 925126586 /nfs/dbraw/zinc/12/65/86/925126586.db2.gz CKBFSBCOIYOIOO-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nonc1CC(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001403713682 925127013 /nfs/dbraw/zinc/12/70/13/925127013.db2.gz DVDNFLNFBZKCLK-UHFFFAOYSA-N 1 1 319.387 -1.482 20 0 DAADMO Cc1nonc1CC(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001403713682 925127016 /nfs/dbraw/zinc/12/70/16/925127016.db2.gz DVDNFLNFBZKCLK-UHFFFAOYSA-N 1 1 319.387 -1.482 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)C[C@H](O)COC)ccc1=O ZINC001403716940 925127096 /nfs/dbraw/zinc/12/70/96/925127096.db2.gz CWQWANVVGQPVLV-NSHDSACASA-N 1 1 312.370 -1.068 20 0 DAADMO C[N@H+](CCNC(=O)c1ncccn1)CCNS(C)(=O)=O ZINC001403720442 925127758 /nfs/dbraw/zinc/12/77/58/925127758.db2.gz VQWAVEICVGYSDZ-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1ncccn1)CCNS(C)(=O)=O ZINC001403720442 925127762 /nfs/dbraw/zinc/12/77/62/925127762.db2.gz VQWAVEICVGYSDZ-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO CCn1cc(CC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001403721981 925128727 /nfs/dbraw/zinc/12/87/27/925128727.db2.gz HEKTWEPHCVLRRF-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnnn1)CCN1CCNC1=O ZINC001403719808 925128942 /nfs/dbraw/zinc/12/89/42/925128942.db2.gz WXVRHHPRHWEOJD-UHFFFAOYSA-N 1 1 310.362 -1.864 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001403717502 925129208 /nfs/dbraw/zinc/12/92/08/925129208.db2.gz DPXFEBYPOUWDBX-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2[nH]nnc2C)n1 ZINC001403725215 925129977 /nfs/dbraw/zinc/12/99/77/925129977.db2.gz WCLKJVNJEZMRPC-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001403725437 925131211 /nfs/dbraw/zinc/13/12/11/925131211.db2.gz WJXPUOZSPXISGT-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001403725437 925131217 /nfs/dbraw/zinc/13/12/17/925131217.db2.gz WJXPUOZSPXISGT-NXEZZACHSA-N 1 1 300.359 -1.085 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)CC(N)=O)ncn1 ZINC001403726288 925131323 /nfs/dbraw/zinc/13/13/23/925131323.db2.gz XSMBGYFESHGYPV-BXKDBHETSA-N 1 1 309.370 -1.137 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001403725202 925131493 /nfs/dbraw/zinc/13/14/93/925131493.db2.gz WAXBRDBMCCDEIF-SFYZADRCSA-N 1 1 301.372 -1.384 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001403733521 925132322 /nfs/dbraw/zinc/13/23/22/925132322.db2.gz NFVSKQZZFKHAMX-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001403751360 925136258 /nfs/dbraw/zinc/13/62/58/925136258.db2.gz LVPMQAFMUDNWRW-SNVBAGLBSA-N 1 1 322.369 -1.662 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001403743616 925136561 /nfs/dbraw/zinc/13/65/61/925136561.db2.gz CZPTVEBTCCGWGX-DTWKUNHWSA-N 1 1 310.362 -1.782 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001403743610 925136714 /nfs/dbraw/zinc/13/67/14/925136714.db2.gz CZPTVEBTCCGWGX-BDAKNGLRSA-N 1 1 310.362 -1.782 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751505 925137100 /nfs/dbraw/zinc/13/71/00/925137100.db2.gz QVYOAYUVSPTTMM-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751505 925137103 /nfs/dbraw/zinc/13/71/03/925137103.db2.gz QVYOAYUVSPTTMM-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cncn1 ZINC001403764863 925138406 /nfs/dbraw/zinc/13/84/06/925138406.db2.gz KVUUUFOTYBUJKH-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC001403764863 925138415 /nfs/dbraw/zinc/13/84/15/925138415.db2.gz KVUUUFOTYBUJKH-VIFPVBQESA-N 1 1 311.346 -1.830 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001403764227 925138479 /nfs/dbraw/zinc/13/84/79/925138479.db2.gz YDLHFLOAIBYITL-RKDXNWHRSA-N 1 1 311.346 -1.355 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCNC(N)=O ZINC001403774288 925141555 /nfs/dbraw/zinc/14/15/55/925141555.db2.gz SFAPOQXCORANFH-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)C1CCOCC1 ZINC001403815661 925142554 /nfs/dbraw/zinc/14/25/54/925142554.db2.gz BIKRQPNPGNNLMY-NSHDSACASA-N 1 1 312.374 -1.454 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001403797213 925142691 /nfs/dbraw/zinc/14/26/91/925142691.db2.gz WIFAEVUGXZPSFQ-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001403797213 925142695 /nfs/dbraw/zinc/14/26/95/925142695.db2.gz WIFAEVUGXZPSFQ-PSASIEDQSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)[C@@H]1C ZINC001403811913 925143021 /nfs/dbraw/zinc/14/30/21/925143021.db2.gz XUILTSVNGSBPBK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)[C@@H]1C ZINC001403811913 925143027 /nfs/dbraw/zinc/14/30/27/925143027.db2.gz XUILTSVNGSBPBK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccc(=O)[nH]1 ZINC001403824394 925144513 /nfs/dbraw/zinc/14/45/13/925144513.db2.gz IADPRYFDCCEHIP-VIFPVBQESA-N 1 1 321.341 -1.467 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2ccnn2)[nH]1 ZINC001403824124 925144848 /nfs/dbraw/zinc/14/48/48/925144848.db2.gz JWJJBTUEGAGLNV-NSHDSACASA-N 1 1 322.373 -1.296 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc2ccn[nH]2)C1=O ZINC001403822165 925144941 /nfs/dbraw/zinc/14/49/41/925144941.db2.gz FQKWXRONGBNHFE-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccc(=O)[nH]1 ZINC001403824371 925145482 /nfs/dbraw/zinc/14/54/82/925145482.db2.gz IADPRYFDCCEHIP-SECBINFHSA-N 1 1 321.341 -1.467 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)NC(=O)NC ZINC001403824611 925145515 /nfs/dbraw/zinc/14/55/15/925145515.db2.gz QOVTXGHCJNHXLD-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)NC(=O)NC ZINC001403824611 925145524 /nfs/dbraw/zinc/14/55/24/925145524.db2.gz QOVTXGHCJNHXLD-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CNC(=O)C1CC1 ZINC001403824843 925145635 /nfs/dbraw/zinc/14/56/35/925145635.db2.gz IKJYIYMBLMZBFH-NSHDSACASA-N 1 1 311.342 -1.495 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(C)nn1C)CC(=O)NC(N)=O ZINC001403819510 925146089 /nfs/dbraw/zinc/14/60/89/925146089.db2.gz JRBAOHHMWUHVJB-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(C)nn1C)CC(=O)NC(N)=O ZINC001403819510 925146093 /nfs/dbraw/zinc/14/60/93/925146093.db2.gz JRBAOHHMWUHVJB-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001403832695 925146959 /nfs/dbraw/zinc/14/69/59/925146959.db2.gz UZLGWUBGUXNJCL-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001403832491 925147984 /nfs/dbraw/zinc/14/79/84/925147984.db2.gz NSEDQRKLCCFYTK-JTQLQIEISA-N 1 1 315.399 -1.108 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001403831543 925148075 /nfs/dbraw/zinc/14/80/75/925148075.db2.gz CELGGFFHXOGOAF-WDEREUQCSA-N 1 1 324.385 -1.575 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001403836753 925149778 /nfs/dbraw/zinc/14/97/78/925149778.db2.gz SHIXCLLPHGMQDY-LDYMZIIASA-N 1 1 312.374 -1.281 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnon2)o1 ZINC001403841567 925150835 /nfs/dbraw/zinc/15/08/35/925150835.db2.gz KBZWSHRYSACYJK-SNVBAGLBSA-N 1 1 310.314 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001403841937 925151099 /nfs/dbraw/zinc/15/10/99/925151099.db2.gz HBDIIDPSZKHGSQ-MRVPVSSYSA-N 1 1 316.387 -1.624 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001403840996 925151463 /nfs/dbraw/zinc/15/14/63/925151463.db2.gz ZOVDTYFZLUTZKE-VIFPVBQESA-N 1 1 314.346 -1.622 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnon2)o1 ZINC001403841564 925152168 /nfs/dbraw/zinc/15/21/68/925152168.db2.gz KBZWSHRYSACYJK-JTQLQIEISA-N 1 1 310.314 -1.087 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CS(C)(=O)=O ZINC001403840305 925152402 /nfs/dbraw/zinc/15/24/02/925152402.db2.gz ZDASGAZIPPSROU-SECBINFHSA-N 1 1 319.387 -2.231 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCCN(C)C1=O ZINC001403851749 925152962 /nfs/dbraw/zinc/15/29/62/925152962.db2.gz NANNGINPOLBTCJ-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNS(C)(=O)=O)[C@H]1CCNC1=O ZINC001403851510 925153024 /nfs/dbraw/zinc/15/30/24/925153024.db2.gz LEMLHPLHEFNXEH-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1ccn(C)n1 ZINC001403849505 925153215 /nfs/dbraw/zinc/15/32/15/925153215.db2.gz WZPXQEMTHXQJNU-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001403851331 925153594 /nfs/dbraw/zinc/15/35/94/925153594.db2.gz WVDWSDAKZMANQK-VIFPVBQESA-N 1 1 309.330 -1.271 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)n(C)c1=O)C[C@H](C)O ZINC001403854055 925153609 /nfs/dbraw/zinc/15/36/09/925153609.db2.gz VAUIFGRAUQMADL-NSHDSACASA-N 1 1 312.370 -1.634 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)nn1)CCN1CCNC1=O ZINC001403850956 925154301 /nfs/dbraw/zinc/15/43/01/925154301.db2.gz NPNXMUOMVYPIKX-UHFFFAOYSA-N 1 1 309.374 -1.108 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001403856240 925155135 /nfs/dbraw/zinc/15/51/35/925155135.db2.gz DKXHVGUUULOMOT-ZJUUUORDSA-N 1 1 310.358 -1.634 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001403858334 925155310 /nfs/dbraw/zinc/15/53/10/925155310.db2.gz IFRMZCRJLXODGT-UWVGGRQHSA-N 1 1 312.374 -1.765 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1C ZINC001403856066 925156094 /nfs/dbraw/zinc/15/60/94/925156094.db2.gz RCXGMCDZYVBEAI-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cccnn1 ZINC001403863873 925157909 /nfs/dbraw/zinc/15/79/09/925157909.db2.gz GMTZMAQVTGVVKU-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccncn1 ZINC001403866217 925158569 /nfs/dbraw/zinc/15/85/69/925158569.db2.gz IONNPLUJKSLGJZ-NSHDSACASA-N 1 1 305.342 -1.172 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403867728 925158727 /nfs/dbraw/zinc/15/87/27/925158727.db2.gz SZZHEAOLDYUPGK-MXWKQRLJSA-N 1 1 324.385 -1.672 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cccn1 ZINC001403876514 925159414 /nfs/dbraw/zinc/15/94/14/925159414.db2.gz HECDYZSXJUMVBZ-CHWSQXEVSA-N 1 1 323.397 -1.135 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(=O)n(C)c1)CC(=O)NC(N)=O ZINC001403869838 925159669 /nfs/dbraw/zinc/15/96/69/925159669.db2.gz REAUIGVELDXHHC-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)c1)CC(=O)NC(N)=O ZINC001403869838 925159677 /nfs/dbraw/zinc/15/96/77/925159677.db2.gz REAUIGVELDXHHC-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cccn1 ZINC001403876519 925160185 /nfs/dbraw/zinc/16/01/85/925160185.db2.gz HECDYZSXJUMVBZ-OLZOCXBDSA-N 1 1 323.397 -1.135 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H](C)C(=O)NC ZINC001403872888 925160399 /nfs/dbraw/zinc/16/03/99/925160399.db2.gz TYJRGJVORUASCX-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@H](C)C(=O)NC ZINC001403872888 925160405 /nfs/dbraw/zinc/16/04/05/925160405.db2.gz TYJRGJVORUASCX-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H](C)C(=O)NC ZINC001403872883 925160890 /nfs/dbraw/zinc/16/08/90/925160890.db2.gz TYJRGJVORUASCX-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncn(C)c1=O)[C@@H](C)C(=O)NC ZINC001403872883 925160896 /nfs/dbraw/zinc/16/08/96/925160896.db2.gz TYJRGJVORUASCX-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@H+](CC)CC(=O)NC ZINC001403874261 925161088 /nfs/dbraw/zinc/16/10/88/925161088.db2.gz UWKWRYWZMRDWQO-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](CC)CC(=O)NC ZINC001403874261 925161092 /nfs/dbraw/zinc/16/10/92/925161092.db2.gz UWKWRYWZMRDWQO-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403877231 925161105 /nfs/dbraw/zinc/16/11/05/925161105.db2.gz HZCJOJFRQBYBMZ-ZJUUUORDSA-N 1 1 311.342 -1.434 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001403874930 925161177 /nfs/dbraw/zinc/16/11/77/925161177.db2.gz FAPZPBDPTXCHTE-JTQLQIEISA-N 1 1 312.326 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001403874930 925161182 /nfs/dbraw/zinc/16/11/82/925161182.db2.gz FAPZPBDPTXCHTE-JTQLQIEISA-N 1 1 312.326 -1.161 20 0 DAADMO CN(C[C@@H](O)CNCc1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403880123 925161856 /nfs/dbraw/zinc/16/18/56/925161856.db2.gz OEHFKWRFXISULU-QWRGUYRKSA-N 1 1 311.390 -1.929 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403878001 925162042 /nfs/dbraw/zinc/16/20/42/925162042.db2.gz KKCFMHNQQURQKT-WDEREUQCSA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@H](O)CNCc1nnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403880131 925162133 /nfs/dbraw/zinc/16/21/33/925162133.db2.gz OEHFKWRFXISULU-WDEREUQCSA-N 1 1 311.390 -1.929 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001403881957 925162520 /nfs/dbraw/zinc/16/25/20/925162520.db2.gz YRGMOGDUGQJROL-SFYZADRCSA-N 1 1 324.328 -1.153 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403877992 925162560 /nfs/dbraw/zinc/16/25/60/925162560.db2.gz KKCFMHNQQURQKT-QWRGUYRKSA-N 1 1 300.363 -1.541 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403877976 925163123 /nfs/dbraw/zinc/16/31/23/925163123.db2.gz KKCFMHNQQURQKT-GHMZBOCLSA-N 1 1 300.363 -1.541 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)CCNC(N)=O)co1 ZINC001403878702 925163271 /nfs/dbraw/zinc/16/32/71/925163271.db2.gz WIFMIAKQRFSLFY-NSHDSACASA-N 1 1 313.358 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)c1ccncc1 ZINC001403884143 925163864 /nfs/dbraw/zinc/16/38/64/925163864.db2.gz CPUQPWXZHGPTOI-LLVKDONJSA-N 1 1 323.353 -1.359 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1ccncc1 ZINC001403884143 925163871 /nfs/dbraw/zinc/16/38/71/925163871.db2.gz CPUQPWXZHGPTOI-LLVKDONJSA-N 1 1 323.353 -1.359 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001403892460 925164250 /nfs/dbraw/zinc/16/42/50/925164250.db2.gz ZTSHKFUVZGRDBR-SECBINFHSA-N 1 1 323.357 -1.017 20 0 DAADMO CCN(CC)C(=O)C[N@H+](CC)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403888249 925164431 /nfs/dbraw/zinc/16/44/31/925164431.db2.gz OYYSALPXRXYVNN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403888249 925164437 /nfs/dbraw/zinc/16/44/37/925164437.db2.gz OYYSALPXRXYVNN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001403884183 925164452 /nfs/dbraw/zinc/16/44/52/925164452.db2.gz CTNPVQHROVDUGS-LLVKDONJSA-N 1 1 302.375 -2.038 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001403884183 925164459 /nfs/dbraw/zinc/16/44/59/925164459.db2.gz CTNPVQHROVDUGS-LLVKDONJSA-N 1 1 302.375 -2.038 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001403891722 925164710 /nfs/dbraw/zinc/16/47/10/925164710.db2.gz GRZXAATYYYYOQU-BDAKNGLRSA-N 1 1 304.347 -2.033 20 0 DAADMO CO[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001403891722 925164716 /nfs/dbraw/zinc/16/47/16/925164716.db2.gz GRZXAATYYYYOQU-BDAKNGLRSA-N 1 1 304.347 -2.033 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)[nH]1 ZINC001403884588 925164876 /nfs/dbraw/zinc/16/48/76/925164876.db2.gz ZMZICCWVOYXPMP-SECBINFHSA-N 1 1 321.341 -1.581 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001403884331 925165178 /nfs/dbraw/zinc/16/51/78/925165178.db2.gz DADZORJKDSXNFV-VXGBXAGGSA-N 1 1 314.386 -1.896 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CN(C)C(=O)Cc2nnc[nH]2)nn1 ZINC001403891956 925165228 /nfs/dbraw/zinc/16/52/28/925165228.db2.gz ZJHIWLDYZZKRJV-NSHDSACASA-N 1 1 322.373 -1.432 20 0 DAADMO CCN(CC)C(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403888255 925165295 /nfs/dbraw/zinc/16/52/95/925165295.db2.gz OYYSALPXRXYVNN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403888255 925165299 /nfs/dbraw/zinc/16/52/99/925165299.db2.gz OYYSALPXRXYVNN-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001403899474 925165998 /nfs/dbraw/zinc/16/59/98/925165998.db2.gz NHGSYDLWVYKMKL-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001403899474 925166004 /nfs/dbraw/zinc/16/60/04/925166004.db2.gz NHGSYDLWVYKMKL-LBPRGKRZSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001403896396 925166142 /nfs/dbraw/zinc/16/61/42/925166142.db2.gz BOHXDFBDRZCORK-JTQLQIEISA-N 1 1 310.358 -1.598 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001403896396 925166149 /nfs/dbraw/zinc/16/61/49/925166149.db2.gz BOHXDFBDRZCORK-JTQLQIEISA-N 1 1 310.358 -1.598 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001403899328 925166875 /nfs/dbraw/zinc/16/68/75/925166875.db2.gz HFVDAMMEGURAEI-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001403896819 925167089 /nfs/dbraw/zinc/16/70/89/925167089.db2.gz NXAGZUJCKDOVGB-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001403896819 925167097 /nfs/dbraw/zinc/16/70/97/925167097.db2.gz NXAGZUJCKDOVGB-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CN(C)C(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001403892892 925167144 /nfs/dbraw/zinc/16/71/44/925167144.db2.gz IIISOCYSHZBWCX-CHWSQXEVSA-N 1 1 314.430 -1.080 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001403894526 925167382 /nfs/dbraw/zinc/16/73/82/925167382.db2.gz IBTYVWABHACKIH-QWRGUYRKSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001403894526 925167387 /nfs/dbraw/zinc/16/73/87/925167387.db2.gz IBTYVWABHACKIH-QWRGUYRKSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403895518 925167636 /nfs/dbraw/zinc/16/76/36/925167636.db2.gz CCJJENIGZHALNN-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403895518 925167642 /nfs/dbraw/zinc/16/76/42/925167642.db2.gz CCJJENIGZHALNN-OLZOCXBDSA-N 1 1 323.397 -1.050 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001403899772 925168040 /nfs/dbraw/zinc/16/80/40/925168040.db2.gz CXIDZYTVUCIHDE-DGCLKSJQSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001403900096 925168132 /nfs/dbraw/zinc/16/81/32/925168132.db2.gz GSHDRZOIMSBDBK-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403895039 925168350 /nfs/dbraw/zinc/16/83/50/925168350.db2.gz WQYJIAPEBJITDL-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403895039 925168359 /nfs/dbraw/zinc/16/83/59/925168359.db2.gz WQYJIAPEBJITDL-LBPRGKRZSA-N 1 1 311.386 -1.230 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001403908841 925169493 /nfs/dbraw/zinc/16/94/93/925169493.db2.gz ZMHGYYBIHMNFTE-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001403908841 925169499 /nfs/dbraw/zinc/16/94/99/925169499.db2.gz ZMHGYYBIHMNFTE-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001403910989 925169517 /nfs/dbraw/zinc/16/95/17/925169517.db2.gz JSKZIOABBGURCY-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO CC[N@H+](CCNC(=O)c1csnn1)CC(=O)NC(N)=O ZINC001403900705 925169761 /nfs/dbraw/zinc/16/97/61/925169761.db2.gz ZBJGDPXLCYABBH-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO CC[N@@H+](CCNC(=O)c1csnn1)CC(=O)NC(N)=O ZINC001403900705 925169769 /nfs/dbraw/zinc/16/97/69/925169769.db2.gz ZBJGDPXLCYABBH-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001403907047 925169784 /nfs/dbraw/zinc/16/97/84/925169784.db2.gz XRKPUQTVUMQXOF-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001403905020 925169918 /nfs/dbraw/zinc/16/99/18/925169918.db2.gz WTNANCQEJWWQGZ-NSHDSACASA-N 1 1 314.386 -1.909 20 0 DAADMO CN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1CC1 ZINC001403905020 925169923 /nfs/dbraw/zinc/16/99/23/925169923.db2.gz WTNANCQEJWWQGZ-NSHDSACASA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403907653 925169936 /nfs/dbraw/zinc/16/99/36/925169936.db2.gz XLZBCUYCIQEVQQ-JTQLQIEISA-N 1 1 313.362 -2.488 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403907653 925169945 /nfs/dbraw/zinc/16/99/45/925169945.db2.gz XLZBCUYCIQEVQQ-JTQLQIEISA-N 1 1 313.362 -2.488 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911212 925170157 /nfs/dbraw/zinc/17/01/57/925170157.db2.gz KGZVOIAABUGEFI-MNOVXSKESA-N 1 1 312.374 -1.836 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911212 925170164 /nfs/dbraw/zinc/17/01/64/925170164.db2.gz KGZVOIAABUGEFI-MNOVXSKESA-N 1 1 312.374 -1.836 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cc1cncs1 ZINC001403903674 925170375 /nfs/dbraw/zinc/17/03/75/925170375.db2.gz INUHLCAHARBTNE-SECBINFHSA-N 1 1 300.384 -1.078 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cc1cncs1 ZINC001403903674 925170389 /nfs/dbraw/zinc/17/03/89/925170389.db2.gz INUHLCAHARBTNE-SECBINFHSA-N 1 1 300.384 -1.078 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCCNC1=O ZINC001403902035 925170493 /nfs/dbraw/zinc/17/04/93/925170493.db2.gz SSRAAQOUPGBOGJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905075 925171017 /nfs/dbraw/zinc/17/10/17/925171017.db2.gz DWAZZKBFHBKHHY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403905075 925171027 /nfs/dbraw/zinc/17/10/27/925171027.db2.gz DWAZZKBFHBKHHY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCCNC1=O ZINC001403902040 925171098 /nfs/dbraw/zinc/17/10/98/925171098.db2.gz SSRAAQOUPGBOGJ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001403900306 925171427 /nfs/dbraw/zinc/17/14/27/925171427.db2.gz HHNBQFSFHNUCLE-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904390 925171571 /nfs/dbraw/zinc/17/15/71/925171571.db2.gz LTKBOYDDVSLKBZ-WDEREUQCSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904390 925171575 /nfs/dbraw/zinc/17/15/75/925171575.db2.gz LTKBOYDDVSLKBZ-WDEREUQCSA-N 1 1 312.374 -1.707 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)C(C)C)C(N)=O ZINC001403928099 925172010 /nfs/dbraw/zinc/17/20/10/925172010.db2.gz UYDXQALVKOJDMO-NEPJUHHUSA-N 1 1 316.402 -1.474 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001403912272 925172595 /nfs/dbraw/zinc/17/25/95/925172595.db2.gz ZWRMPQFDVQNXQQ-VXGBXAGGSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001403912272 925172611 /nfs/dbraw/zinc/17/26/11/925172611.db2.gz ZWRMPQFDVQNXQQ-VXGBXAGGSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1nnc[nH]1 ZINC001403922536 925172737 /nfs/dbraw/zinc/17/27/37/925172737.db2.gz YKXVBTNSIITDEL-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCNC(=O)C1 ZINC001403913012 925173239 /nfs/dbraw/zinc/17/32/39/925173239.db2.gz QAPCWLUWMZRLKA-NWDGAFQWSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001403921919 925173291 /nfs/dbraw/zinc/17/32/91/925173291.db2.gz WEFYZFVIUWLKLO-NSHDSACASA-N 1 1 310.354 -1.915 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1ccccc1=O ZINC001403921919 925173295 /nfs/dbraw/zinc/17/32/95/925173295.db2.gz WEFYZFVIUWLKLO-NSHDSACASA-N 1 1 310.354 -1.915 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001403911807 925173318 /nfs/dbraw/zinc/17/33/18/925173318.db2.gz QNCBBRNOCNTNJR-BDAKNGLRSA-N 1 1 313.358 -1.338 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001403911807 925173323 /nfs/dbraw/zinc/17/33/23/925173323.db2.gz QNCBBRNOCNTNJR-BDAKNGLRSA-N 1 1 313.358 -1.338 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001403919911 925173656 /nfs/dbraw/zinc/17/36/56/925173656.db2.gz UHAIPXMTCKCUPF-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001403919911 925173659 /nfs/dbraw/zinc/17/36/59/925173659.db2.gz UHAIPXMTCKCUPF-GFCCVEGCSA-N 1 1 311.386 -1.230 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001403914249 925173735 /nfs/dbraw/zinc/17/37/35/925173735.db2.gz KSTOSJHMDPWUEX-ZYHUDNBSSA-N 1 1 324.381 -1.074 20 0 DAADMO CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403924563 925173926 /nfs/dbraw/zinc/17/39/26/925173926.db2.gz JXNZTXAAQQRDAC-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403924563 925173929 /nfs/dbraw/zinc/17/39/29/925173929.db2.gz JXNZTXAAQQRDAC-VIFPVBQESA-N 1 1 313.358 -1.841 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403913024 925174052 /nfs/dbraw/zinc/17/40/52/925174052.db2.gz DIHKZJUFZQQIEO-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)CC(N)=O ZINC001403937518 925174702 /nfs/dbraw/zinc/17/47/02/925174702.db2.gz DFCLAWVOSYVPEL-GFCCVEGCSA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1)CC(N)=O ZINC001403937518 925174712 /nfs/dbraw/zinc/17/47/12/925174712.db2.gz DFCLAWVOSYVPEL-GFCCVEGCSA-N 1 1 320.415 -1.618 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403976626 925175155 /nfs/dbraw/zinc/17/51/55/925175155.db2.gz FNWANUNDKVWYRO-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001403929447 925175315 /nfs/dbraw/zinc/17/53/15/925175315.db2.gz MDMZZAXQOVDIEU-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@@H](C)C(N)=O ZINC001403929447 925175319 /nfs/dbraw/zinc/17/53/19/925175319.db2.gz MDMZZAXQOVDIEU-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccnnc1)CC(=O)NC(=O)NC ZINC001403928858 925175458 /nfs/dbraw/zinc/17/54/58/925175458.db2.gz XRCMFNYZRBIYRR-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccnnc1)CC(=O)NC(=O)NC ZINC001403928858 925175463 /nfs/dbraw/zinc/17/54/63/925175463.db2.gz XRCMFNYZRBIYRR-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001403966789 925175726 /nfs/dbraw/zinc/17/57/26/925175726.db2.gz CNLOSXHAWCMHOX-CQSZACIVSA-N 1 1 301.387 -1.040 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001403957930 925176382 /nfs/dbraw/zinc/17/63/82/925176382.db2.gz AQPZHEUKQXIDGR-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001403957930 925176388 /nfs/dbraw/zinc/17/63/88/925176388.db2.gz AQPZHEUKQXIDGR-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC001404002206 925177081 /nfs/dbraw/zinc/17/70/81/925177081.db2.gz HZKZZYVSPBNFRO-UHFFFAOYSA-N 1 1 315.399 -1.061 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001403993279 925177170 /nfs/dbraw/zinc/17/71/70/925177170.db2.gz WUUCRNIZFNPDAB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001403993279 925177175 /nfs/dbraw/zinc/17/71/75/925177175.db2.gz WUUCRNIZFNPDAB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001403993285 925177266 /nfs/dbraw/zinc/17/72/66/925177266.db2.gz WUUCRNIZFNPDAB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001403993285 925177271 /nfs/dbraw/zinc/17/72/71/925177271.db2.gz WUUCRNIZFNPDAB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001403993293 925177373 /nfs/dbraw/zinc/17/73/73/925177373.db2.gz WUUCRNIZFNPDAB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001403993293 925177375 /nfs/dbraw/zinc/17/73/75/925177375.db2.gz WUUCRNIZFNPDAB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1 ZINC001403982100 925177573 /nfs/dbraw/zinc/17/75/73/925177573.db2.gz QCRNCAUELBDWJC-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCn1cncn1 ZINC001403979712 925177781 /nfs/dbraw/zinc/17/77/81/925177781.db2.gz ASFIZGMKXZAZFF-NSHDSACASA-N 1 1 322.373 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCn1cncn1 ZINC001403979712 925177785 /nfs/dbraw/zinc/17/77/85/925177785.db2.gz ASFIZGMKXZAZFF-NSHDSACASA-N 1 1 322.373 -1.230 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCn1cncn1 ZINC001403979712 925177791 /nfs/dbraw/zinc/17/77/91/925177791.db2.gz ASFIZGMKXZAZFF-NSHDSACASA-N 1 1 322.373 -1.230 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403984815 925177832 /nfs/dbraw/zinc/17/78/32/925177832.db2.gz BTGBNZIRSVPIFY-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403984815 925177840 /nfs/dbraw/zinc/17/78/40/925177840.db2.gz BTGBNZIRSVPIFY-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001403993288 925178341 /nfs/dbraw/zinc/17/83/41/925178341.db2.gz WUUCRNIZFNPDAB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001403993288 925178351 /nfs/dbraw/zinc/17/83/51/925178351.db2.gz WUUCRNIZFNPDAB-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001404004851 925178390 /nfs/dbraw/zinc/17/83/90/925178390.db2.gz NTLQITYQUQWAIO-UHFFFAOYSA-N 1 1 308.342 -1.274 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001403995161 925178442 /nfs/dbraw/zinc/17/84/42/925178442.db2.gz DESUJIFTJMWLBG-NSHDSACASA-N 1 1 300.359 -2.188 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001403992942 925178916 /nfs/dbraw/zinc/17/89/16/925178916.db2.gz XMRUOUOUVRFKNF-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001404055787 925179390 /nfs/dbraw/zinc/17/93/90/925179390.db2.gz CIERAMOWHPXPOP-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041512 925179547 /nfs/dbraw/zinc/17/95/47/925179547.db2.gz PCQBLVRBUDYNEN-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041512 925179552 /nfs/dbraw/zinc/17/95/52/925179552.db2.gz PCQBLVRBUDYNEN-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001404044744 925179617 /nfs/dbraw/zinc/17/96/17/925179617.db2.gz TVFSFISKMXNDFX-SNVBAGLBSA-N 1 1 310.358 -1.817 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001404044744 925179623 /nfs/dbraw/zinc/17/96/23/925179623.db2.gz TVFSFISKMXNDFX-SNVBAGLBSA-N 1 1 310.358 -1.817 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041520 925179886 /nfs/dbraw/zinc/17/98/86/925179886.db2.gz PCQBLVRBUDYNEN-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001404041520 925179896 /nfs/dbraw/zinc/17/98/96/925179896.db2.gz PCQBLVRBUDYNEN-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001404055802 925179966 /nfs/dbraw/zinc/17/99/66/925179966.db2.gz CIERAMOWHPXPOP-WDEREUQCSA-N 1 1 307.416 -1.303 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001404030291 925180807 /nfs/dbraw/zinc/18/08/07/925180807.db2.gz VCWLOBPJZKMVKE-UWVGGRQHSA-N 1 1 300.363 -1.390 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H](C)NC(N)=O)CC(=O)N(C)C ZINC001404124154 925181687 /nfs/dbraw/zinc/18/16/87/925181687.db2.gz SYXVLGJRLVCTSX-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)CC(=O)N(C)C ZINC001404124154 925181692 /nfs/dbraw/zinc/18/16/92/925181692.db2.gz SYXVLGJRLVCTSX-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001404074331 925181836 /nfs/dbraw/zinc/18/18/36/925181836.db2.gz ZLLKMFMLABBXOY-LBPRGKRZSA-N 1 1 319.427 -1.158 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001404079657 925182091 /nfs/dbraw/zinc/18/20/91/925182091.db2.gz QSDKLLABVPSRSW-LBPRGKRZSA-N 1 1 314.386 -1.941 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001404077715 925182266 /nfs/dbraw/zinc/18/22/66/925182266.db2.gz KFIOVXIAQIAMSQ-GHMZBOCLSA-N 1 1 322.431 -1.799 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001404070907 925182607 /nfs/dbraw/zinc/18/26/07/925182607.db2.gz WUJMYJKNACAQHV-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO COCC(=O)NCC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC001404173475 925184788 /nfs/dbraw/zinc/18/47/88/925184788.db2.gz SUIJLLCYNQGQJT-UHFFFAOYSA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)NCC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC001404173475 925184795 /nfs/dbraw/zinc/18/47/95/925184795.db2.gz SUIJLLCYNQGQJT-UHFFFAOYSA-N 1 1 324.381 -1.189 20 0 DAADMO CCC[N@@H+](CCO)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001404151159 925184847 /nfs/dbraw/zinc/18/48/47/925184847.db2.gz JSFJRTATNDUOGL-UHFFFAOYSA-N 1 1 312.370 -1.482 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cnnn1C)CC(=O)NC(N)=O ZINC001404125019 925185174 /nfs/dbraw/zinc/18/51/74/925185174.db2.gz VKEUXWMOMMAZSF-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cnnn1C)CC(=O)NC(N)=O ZINC001404125019 925185176 /nfs/dbraw/zinc/18/51/76/925185176.db2.gz VKEUXWMOMMAZSF-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[N@H+](CCCO)C1CC1 ZINC001404249695 925186095 /nfs/dbraw/zinc/18/60/95/925186095.db2.gz VYQGIDCEVSJACN-UHFFFAOYSA-N 1 1 310.354 -1.088 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)C1CC1 ZINC001404222021 925186888 /nfs/dbraw/zinc/18/68/88/925186888.db2.gz JMHQJPRYRHJXEY-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)C1CC1 ZINC001404222021 925186895 /nfs/dbraw/zinc/18/68/95/925186895.db2.gz JMHQJPRYRHJXEY-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC001404231483 925187204 /nfs/dbraw/zinc/18/72/04/925187204.db2.gz UQKIYYNEKLAXEO-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC001404231483 925187205 /nfs/dbraw/zinc/18/72/05/925187205.db2.gz UQKIYYNEKLAXEO-VIFPVBQESA-N 1 1 306.326 -1.277 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001404267248 925188635 /nfs/dbraw/zinc/18/86/35/925188635.db2.gz XFOKTIVSIGSXJF-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)c1cc(=O)n(C)cn1)c1nnnn1C ZINC001404330884 925191394 /nfs/dbraw/zinc/19/13/94/925191394.db2.gz WDIHZMVQILUNOP-SECBINFHSA-N 1 1 320.357 -1.273 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327829 925191829 /nfs/dbraw/zinc/19/18/29/925191829.db2.gz PMXIFXKNRSNBDB-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnon1 ZINC001404327829 925191836 /nfs/dbraw/zinc/19/18/36/925191836.db2.gz PMXIFXKNRSNBDB-KOLCDFICSA-N 1 1 311.342 -1.023 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325279 925191872 /nfs/dbraw/zinc/19/18/72/925191872.db2.gz OZYUDDBNWGIVNG-GXSJLCMTSA-N 1 1 310.358 -1.288 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn[nH]n1 ZINC001404325279 925191881 /nfs/dbraw/zinc/19/18/81/925191881.db2.gz OZYUDDBNWGIVNG-GXSJLCMTSA-N 1 1 310.358 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001404359605 925193358 /nfs/dbraw/zinc/19/33/58/925193358.db2.gz QFFBQKLHZUUBQN-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404366131 925194266 /nfs/dbraw/zinc/19/42/66/925194266.db2.gz CDRUVBQYRDSVPO-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cnnn1)c1ccccc1 ZINC001404369924 925194998 /nfs/dbraw/zinc/19/49/98/925194998.db2.gz GZAWXKGLXWGOLP-LBPRGKRZSA-N 1 1 317.353 -1.134 20 0 DAADMO CCCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404431240 925196322 /nfs/dbraw/zinc/19/63/22/925196322.db2.gz CJPFIYMIDGPUCH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404431240 925196328 /nfs/dbraw/zinc/19/63/28/925196328.db2.gz CJPFIYMIDGPUCH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404452778 925196518 /nfs/dbraw/zinc/19/65/18/925196518.db2.gz IQJWFQXNTCGRBD-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404452778 925196523 /nfs/dbraw/zinc/19/65/23/925196523.db2.gz IQJWFQXNTCGRBD-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001404477010 925198758 /nfs/dbraw/zinc/19/87/58/925198758.db2.gz KGOOGLGGCNLFQM-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404512856 925199982 /nfs/dbraw/zinc/19/99/82/925199982.db2.gz SXTLAPHOZHEJNL-LBPRGKRZSA-N 1 1 319.373 -1.207 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ncn[n-]2)C1 ZINC001404513049 925200994 /nfs/dbraw/zinc/20/09/94/925200994.db2.gz LJXMOPXDHITOIM-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001404513049 925200999 /nfs/dbraw/zinc/20/09/99/925200999.db2.gz LJXMOPXDHITOIM-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001404513049 925201005 /nfs/dbraw/zinc/20/10/05/925201005.db2.gz LJXMOPXDHITOIM-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404513340 925201018 /nfs/dbraw/zinc/20/10/18/925201018.db2.gz UKSVXHNSRKTFBE-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CN2CCOCC2=O)C1 ZINC001404500424 925201253 /nfs/dbraw/zinc/20/12/53/925201253.db2.gz NMZCYWDJPNCTHD-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO Cn1ncc(C[N@@H+]2CC[C@H](CCNC(=O)c3nnn(C)n3)C2)n1 ZINC001404515578 925201993 /nfs/dbraw/zinc/20/19/93/925201993.db2.gz FVCPBJJAVVEMFY-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1ncc(C[N@H+]2CC[C@H](CCNC(=O)c3nnn(C)n3)C2)n1 ZINC001404515578 925202002 /nfs/dbraw/zinc/20/20/02/925202002.db2.gz FVCPBJJAVVEMFY-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2cnon2)C1 ZINC001404523824 925202451 /nfs/dbraw/zinc/20/24/51/925202451.db2.gz UCWUPCPHGXXWFH-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001404549709 925204695 /nfs/dbraw/zinc/20/46/95/925204695.db2.gz OZTRLEWPHTZHNR-UWVGGRQHSA-N 1 1 318.399 -2.008 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404560699 925204726 /nfs/dbraw/zinc/20/47/26/925204726.db2.gz CUHKASLLTROVBT-NWDGAFQWSA-N 1 1 312.374 -1.539 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404586391 925206056 /nfs/dbraw/zinc/20/60/56/925206056.db2.gz JTDCGMJMGAXPDP-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001404590245 925206661 /nfs/dbraw/zinc/20/66/61/925206661.db2.gz KOJUZMMZPBWDLY-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CNC(=O)C[N@@H+](C)CC1CCN(C(=O)CNC(=O)NC)CC1 ZINC001404614381 925206971 /nfs/dbraw/zinc/20/69/71/925206971.db2.gz HMCACRAITPUXIH-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001404591298 925207082 /nfs/dbraw/zinc/20/70/82/925207082.db2.gz OQDXJSORYPVLQY-TUAOUCFPSA-N 1 1 310.398 -1.024 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001404773270 925214157 /nfs/dbraw/zinc/21/41/57/925214157.db2.gz VWHPTNYPFYTSMM-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CN1CC[C@H](N2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001404810922 925217782 /nfs/dbraw/zinc/21/77/82/925217782.db2.gz MMDSQDJBDIBRLD-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO CNC(=O)NC(=O)CN1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001404836991 925219525 /nfs/dbraw/zinc/21/95/25/925219525.db2.gz FLCDTVCOBLSHNH-HNNXBMFYSA-N 1 1 323.397 -1.272 20 0 DAADMO CCOCC(=O)NCC1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001404853873 925220023 /nfs/dbraw/zinc/22/00/23/925220023.db2.gz QEKRRGRZQQHGIE-UHFFFAOYSA-N 1 1 324.381 -1.332 20 0 DAADMO CNC(=O)NCC(=O)NCC1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001404890533 925223327 /nfs/dbraw/zinc/22/33/27/925223327.db2.gz HPIJSIBGXAYYII-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001404937315 925224282 /nfs/dbraw/zinc/22/42/82/925224282.db2.gz TUPPGMKGGQCQMR-JTQLQIEISA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001404970091 925227295 /nfs/dbraw/zinc/22/72/95/925227295.db2.gz JBCLOTCJTLOKED-SRVKXCTJSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001404970091 925227302 /nfs/dbraw/zinc/22/73/02/925227302.db2.gz JBCLOTCJTLOKED-SRVKXCTJSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnn1 ZINC001404964115 925227615 /nfs/dbraw/zinc/22/76/15/925227615.db2.gz MQJUQGKDSHSQLK-AVGNSLFASA-N 1 1 309.370 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(=O)NC(N)=O ZINC001404953404 925227718 /nfs/dbraw/zinc/22/77/18/925227718.db2.gz NYNDNNFDIQCUDY-DCAQKATOSA-N 1 1 309.370 -1.439 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC(N)=O)C1 ZINC001404987951 925229311 /nfs/dbraw/zinc/22/93/11/925229311.db2.gz VMLSSXCDHLGMEK-VWYCJHECSA-N 1 1 309.370 -1.582 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001405001292 925230798 /nfs/dbraw/zinc/23/07/98/925230798.db2.gz KIVRAQBNPFGJPY-JTQLQIEISA-N 1 1 312.374 -1.869 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001405001281 925231631 /nfs/dbraw/zinc/23/16/31/925231631.db2.gz KHSNNYKEOUTBEY-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001405001281 925231643 /nfs/dbraw/zinc/23/16/43/925231643.db2.gz KHSNNYKEOUTBEY-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405009263 925231781 /nfs/dbraw/zinc/23/17/81/925231781.db2.gz ODPKJKKOSVCDDO-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405009263 925231792 /nfs/dbraw/zinc/23/17/92/925231792.db2.gz ODPKJKKOSVCDDO-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001405052631 925234785 /nfs/dbraw/zinc/23/47/85/925234785.db2.gz QHBOTSQJYRAFCO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001405052631 925234792 /nfs/dbraw/zinc/23/47/92/925234792.db2.gz QHBOTSQJYRAFCO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001405049422 925235542 /nfs/dbraw/zinc/23/55/42/925235542.db2.gz KVNYBSWQGJDGER-QWRGUYRKSA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001405049418 925235875 /nfs/dbraw/zinc/23/58/75/925235875.db2.gz KVNYBSWQGJDGER-MNOVXSKESA-N 1 1 324.385 -1.102 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001405078511 925236560 /nfs/dbraw/zinc/23/65/60/925236560.db2.gz HAWGBWPPMUVGKC-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001405078511 925236568 /nfs/dbraw/zinc/23/65/68/925236568.db2.gz HAWGBWPPMUVGKC-LLVKDONJSA-N 1 1 324.385 -1.783 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001405060217 925237496 /nfs/dbraw/zinc/23/74/96/925237496.db2.gz GMDUGGJNLICHJQ-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405111276 925239671 /nfs/dbraw/zinc/23/96/71/925239671.db2.gz JAFKKFHNTFWPTM-SECBINFHSA-N 1 1 306.388 -1.927 20 0 DAADMO CN(C(=O)CCCS(N)(=O)=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405111276 925239676 /nfs/dbraw/zinc/23/96/76/925239676.db2.gz JAFKKFHNTFWPTM-SECBINFHSA-N 1 1 306.388 -1.927 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122926 925241063 /nfs/dbraw/zinc/24/10/63/925241063.db2.gz KWOJRHAMGIPBIY-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCn2ncn(C)c2=O)C1 ZINC001405122926 925241073 /nfs/dbraw/zinc/24/10/73/925241073.db2.gz KWOJRHAMGIPBIY-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001405124409 925241348 /nfs/dbraw/zinc/24/13/48/925241348.db2.gz KJWDYOPTSKYGQS-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001405124409 925241357 /nfs/dbraw/zinc/24/13/57/925241357.db2.gz KJWDYOPTSKYGQS-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001405167039 925243900 /nfs/dbraw/zinc/24/39/00/925243900.db2.gz INBZRHZJQKNIAA-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001405167039 925243908 /nfs/dbraw/zinc/24/39/08/925243908.db2.gz INBZRHZJQKNIAA-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001405172196 925244407 /nfs/dbraw/zinc/24/44/07/925244407.db2.gz KLYBNKQNLACRJA-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO CCN(C(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405172196 925244414 /nfs/dbraw/zinc/24/44/14/925244414.db2.gz KLYBNKQNLACRJA-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001405187954 925245609 /nfs/dbraw/zinc/24/56/09/925245609.db2.gz ACHCDIJVASEEFJ-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405207003 925250341 /nfs/dbraw/zinc/25/03/41/925250341.db2.gz BNEKFTKTPJGENF-WCQYABFASA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc[nH]2)C1 ZINC001405207003 925250345 /nfs/dbraw/zinc/25/03/45/925250345.db2.gz BNEKFTKTPJGENF-WCQYABFASA-N 1 1 324.381 -1.058 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)C1=COCCO1 ZINC001405212270 925251714 /nfs/dbraw/zinc/25/17/14/925251714.db2.gz WCKIONAMMTVHJK-NSHDSACASA-N 1 1 315.370 -1.190 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001405210879 925252022 /nfs/dbraw/zinc/25/20/22/925252022.db2.gz UPPFCIRSYYKEFY-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)c1 ZINC001405220350 925254308 /nfs/dbraw/zinc/25/43/08/925254308.db2.gz OMRWJTUWELSWCR-GFCCVEGCSA-N 1 1 311.386 -1.033 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001405220894 925254718 /nfs/dbraw/zinc/25/47/18/925254718.db2.gz JCMMRKPLOBGDKA-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001405224685 925255741 /nfs/dbraw/zinc/25/57/41/925255741.db2.gz IVBBZMAKVIVHFS-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405222590 925256220 /nfs/dbraw/zinc/25/62/20/925256220.db2.gz ZXDAWKVCZHETLR-GHMZBOCLSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405222590 925256228 /nfs/dbraw/zinc/25/62/28/925256228.db2.gz ZXDAWKVCZHETLR-GHMZBOCLSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001405225363 925257938 /nfs/dbraw/zinc/25/79/38/925257938.db2.gz VYDDBBSOWUKXOS-ZYHUDNBSSA-N 1 1 316.402 -1.556 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2nccnc2N)C1 ZINC001405225782 925258263 /nfs/dbraw/zinc/25/82/63/925258263.db2.gz BRRDIZOUKZHOPC-VHSXEESVSA-N 1 1 322.369 -1.783 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001405231954 925259682 /nfs/dbraw/zinc/25/96/82/925259682.db2.gz PDLFLNVUOJELEY-WDEREUQCSA-N 1 1 323.353 -1.937 20 0 DAADMO CC[C@@H](CNC(=O)CCn1ccnn1)[NH2+]Cc1nnnn1C ZINC001405232899 925260487 /nfs/dbraw/zinc/26/04/87/925260487.db2.gz ZPNRVZHHTACUKP-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO CC[C@H](CNC(=O)CCn1ccnn1)[NH2+]Cc1nnnn1C ZINC001405232912 925260633 /nfs/dbraw/zinc/26/06/33/925260633.db2.gz ZPNRVZHHTACUKP-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1nccnc1N ZINC001405237825 925263359 /nfs/dbraw/zinc/26/33/59/925263359.db2.gz YCMKTAFTKCHUFX-VHSXEESVSA-N 1 1 322.369 -1.640 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cnsn1 ZINC001405238968 925264258 /nfs/dbraw/zinc/26/42/58/925264258.db2.gz SMWFYBRESRESFI-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnns1 ZINC001405242289 925266955 /nfs/dbraw/zinc/26/69/55/925266955.db2.gz ZIHTXVGATDQKIM-RKDXNWHRSA-N 1 1 313.383 -1.161 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nnc[nH]1 ZINC001405259377 925272066 /nfs/dbraw/zinc/27/20/66/925272066.db2.gz GPJOAPXRXCCUKH-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259377 925272068 /nfs/dbraw/zinc/27/20/68/925272068.db2.gz GPJOAPXRXCCUKH-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1 ZINC001405259377 925272070 /nfs/dbraw/zinc/27/20/70/925272070.db2.gz GPJOAPXRXCCUKH-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259377 925272072 /nfs/dbraw/zinc/27/20/72/925272072.db2.gz GPJOAPXRXCCUKH-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1 ZINC001405259377 925272077 /nfs/dbraw/zinc/27/20/77/925272077.db2.gz GPJOAPXRXCCUKH-QWRGUYRKSA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001405271212 925274339 /nfs/dbraw/zinc/27/43/39/925274339.db2.gz BLFZAWZAFPSTKZ-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)cnn1 ZINC001405265920 925274627 /nfs/dbraw/zinc/27/46/27/925274627.db2.gz RVEZQPGOTSNWEJ-AAEUAGOBSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cn1cccn1 ZINC001405276493 925276423 /nfs/dbraw/zinc/27/64/23/925276423.db2.gz AZLQRQKAWPHWID-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnc(C)[nH]1 ZINC001405274671 925276629 /nfs/dbraw/zinc/27/66/29/925276629.db2.gz OPDDIMQGINBLCY-LLVKDONJSA-N 1 1 323.401 -1.471 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001405279225 925276762 /nfs/dbraw/zinc/27/67/62/925276762.db2.gz FPKBDVOWOVQTNA-NEPJUHHUSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001405276873 925276823 /nfs/dbraw/zinc/27/68/23/925276823.db2.gz BHUHMSPTNWAWMG-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnc[nH]c2=O)C1 ZINC001405286565 925277760 /nfs/dbraw/zinc/27/77/60/925277760.db2.gz PYTDILXHFDMSSS-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405285562 925278028 /nfs/dbraw/zinc/27/80/28/925278028.db2.gz OOKORKSWZOSLFQ-VXGBXAGGSA-N 1 1 323.397 -1.492 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CC ZINC001405282571 925278643 /nfs/dbraw/zinc/27/86/43/925278643.db2.gz DIJQUMKZMWUIPL-UWVGGRQHSA-N 1 1 309.374 -1.036 20 0 DAADMO Cc1c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nnn1C ZINC001405293313 925279363 /nfs/dbraw/zinc/27/93/63/925279363.db2.gz ZJBJKLZKWRNBLR-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001405288551 925279549 /nfs/dbraw/zinc/27/95/49/925279549.db2.gz KXWAUSFDNMMVNP-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001405300430 925281890 /nfs/dbraw/zinc/28/18/90/925281890.db2.gz DRQNKJPPXFOVMH-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300430 925281900 /nfs/dbraw/zinc/28/19/00/925281900.db2.gz DRQNKJPPXFOVMH-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001405300430 925281905 /nfs/dbraw/zinc/28/19/05/925281905.db2.gz DRQNKJPPXFOVMH-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1COC(=O)N1 ZINC001405304855 925282543 /nfs/dbraw/zinc/28/25/43/925282543.db2.gz LCJJSQXGSYDYRH-VHSXEESVSA-N 1 1 316.358 -1.972 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001405320118 925285821 /nfs/dbraw/zinc/28/58/21/925285821.db2.gz FJRYNIROGVBYOP-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320118 925285831 /nfs/dbraw/zinc/28/58/31/925285831.db2.gz FJRYNIROGVBYOP-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320118 925285838 /nfs/dbraw/zinc/28/58/38/925285838.db2.gz FJRYNIROGVBYOP-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1)C1CCC1 ZINC001405314176 925286013 /nfs/dbraw/zinc/28/60/13/925286013.db2.gz XUWDRYHGULLWDZ-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1)C1CCC1 ZINC001405314176 925286018 /nfs/dbraw/zinc/28/60/18/925286018.db2.gz XUWDRYHGULLWDZ-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1)C1CCC1 ZINC001405314176 925286023 /nfs/dbraw/zinc/28/60/23/925286023.db2.gz XUWDRYHGULLWDZ-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001405320670 925286176 /nfs/dbraw/zinc/28/61/76/925286176.db2.gz ACAGTHYKTNESAV-QJPTWQEYSA-N 1 1 301.387 -1.309 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001405320141 925286256 /nfs/dbraw/zinc/28/62/56/925286256.db2.gz FJRYNIROGVBYOP-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320141 925286261 /nfs/dbraw/zinc/28/62/61/925286261.db2.gz FJRYNIROGVBYOP-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001405320141 925286267 /nfs/dbraw/zinc/28/62/67/925286267.db2.gz FJRYNIROGVBYOP-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)n1 ZINC001405326172 925288354 /nfs/dbraw/zinc/28/83/54/925288354.db2.gz XDHLDFKVMLQKHM-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001405323063 925288583 /nfs/dbraw/zinc/28/85/83/925288583.db2.gz SOGAUZRPCURUPM-SECBINFHSA-N 1 1 308.298 -1.518 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cccn1 ZINC001405331006 925289840 /nfs/dbraw/zinc/28/98/40/925289840.db2.gz QRAMMPQHSXPIRZ-VXGBXAGGSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001405334853 925290392 /nfs/dbraw/zinc/29/03/92/925290392.db2.gz LRFLZORHFCWSLI-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001405339987 925291403 /nfs/dbraw/zinc/29/14/03/925291403.db2.gz GCCFFNOCJZNSDF-NXEZZACHSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001405342291 925291505 /nfs/dbraw/zinc/29/15/05/925291505.db2.gz KOSFKYPLPPCYFK-AAEUAGOBSA-N 1 1 323.397 -1.052 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001405340054 925291851 /nfs/dbraw/zinc/29/18/51/925291851.db2.gz GCCFFNOCJZNSDF-VHSXEESVSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnccn1 ZINC001405342527 925292671 /nfs/dbraw/zinc/29/26/71/925292671.db2.gz GCFXPERKPHLOLY-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(CN1CCCC1)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405345657 925293899 /nfs/dbraw/zinc/29/38/99/925293899.db2.gz UDHILMPERZVBRV-ZDUSSCGKSA-N 1 1 324.425 -1.229 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001405346162 925293916 /nfs/dbraw/zinc/29/39/16/925293916.db2.gz LBFHYNJSDFDKPX-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(CCC[NH+]1CCCC1)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001405346162 925293920 /nfs/dbraw/zinc/29/39/20/925293920.db2.gz LBFHYNJSDFDKPX-LLVKDONJSA-N 1 1 324.385 -1.112 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001405362097 925296414 /nfs/dbraw/zinc/29/64/14/925296414.db2.gz XKKRBAAGWFJMIX-QWRGUYRKSA-N 1 1 324.385 -1.338 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001405376328 925300696 /nfs/dbraw/zinc/30/06/96/925300696.db2.gz ZREHUBGDAMPVPH-IUCAKERBSA-N 1 1 311.346 -2.489 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1COC(=O)N1 ZINC001405392789 925305788 /nfs/dbraw/zinc/30/57/88/925305788.db2.gz NBNXTQSRVRYQSD-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001405400283 925307371 /nfs/dbraw/zinc/30/73/71/925307371.db2.gz XDCVMRAIJJMTRY-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2cncn2)CC[N@H+]1C ZINC001405403791 925308924 /nfs/dbraw/zinc/30/89/24/925308924.db2.gz XZRRLKZVPBRSMA-GRYCIOLGSA-N 1 1 324.385 -1.788 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccnnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405592962 925318397 /nfs/dbraw/zinc/31/83/97/925318397.db2.gz DOCFHFZAPVJJOB-OLZOCXBDSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccnnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405592958 925318494 /nfs/dbraw/zinc/31/84/94/925318494.db2.gz DOCFHFZAPVJJOB-CHWSQXEVSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608090 925320936 /nfs/dbraw/zinc/32/09/36/925320936.db2.gz WETUPYWEKAUOPK-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405608090 925320944 /nfs/dbraw/zinc/32/09/44/925320944.db2.gz WETUPYWEKAUOPK-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608090 925320951 /nfs/dbraw/zinc/32/09/51/925320951.db2.gz WETUPYWEKAUOPK-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405608090 925320958 /nfs/dbraw/zinc/32/09/58/925320958.db2.gz WETUPYWEKAUOPK-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608090 925320964 /nfs/dbraw/zinc/32/09/64/925320964.db2.gz WETUPYWEKAUOPK-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001405606830 925321033 /nfs/dbraw/zinc/32/10/33/925321033.db2.gz HSFNGFISLNDEBF-MWLCHTKSSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608099 925321424 /nfs/dbraw/zinc/32/14/24/925321424.db2.gz WETUPYWEKAUOPK-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405608099 925321435 /nfs/dbraw/zinc/32/14/35/925321435.db2.gz WETUPYWEKAUOPK-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608099 925321448 /nfs/dbraw/zinc/32/14/48/925321448.db2.gz WETUPYWEKAUOPK-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405608099 925321458 /nfs/dbraw/zinc/32/14/58/925321458.db2.gz WETUPYWEKAUOPK-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405608099 925321466 /nfs/dbraw/zinc/32/14/66/925321466.db2.gz WETUPYWEKAUOPK-ZJUUUORDSA-N 1 1 310.358 -1.695 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001405611292 925321575 /nfs/dbraw/zinc/32/15/75/925321575.db2.gz WHDNVTXHTAWVBT-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001405611292 925321584 /nfs/dbraw/zinc/32/15/84/925321584.db2.gz WHDNVTXHTAWVBT-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001405611292 925321592 /nfs/dbraw/zinc/32/15/92/925321592.db2.gz WHDNVTXHTAWVBT-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405605882 925321640 /nfs/dbraw/zinc/32/16/40/925321640.db2.gz SVQUMVZVDOZMGT-MNOVXSKESA-N 1 1 309.370 -1.090 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001405606816 925321816 /nfs/dbraw/zinc/32/18/16/925321816.db2.gz HSFNGFISLNDEBF-GXSJLCMTSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ccnc1 ZINC001405609183 925322356 /nfs/dbraw/zinc/32/23/56/925322356.db2.gz LIEDPHARIGBKAJ-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ccnc1 ZINC001405609178 925322449 /nfs/dbraw/zinc/32/24/49/925322449.db2.gz LIEDPHARIGBKAJ-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nnc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608096 925322527 /nfs/dbraw/zinc/32/25/27/925322527.db2.gz WETUPYWEKAUOPK-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405608096 925322536 /nfs/dbraw/zinc/32/25/36/925322536.db2.gz WETUPYWEKAUOPK-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608096 925322544 /nfs/dbraw/zinc/32/25/44/925322544.db2.gz WETUPYWEKAUOPK-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405608096 925322556 /nfs/dbraw/zinc/32/25/56/925322556.db2.gz WETUPYWEKAUOPK-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405608096 925322568 /nfs/dbraw/zinc/32/25/68/925322568.db2.gz WETUPYWEKAUOPK-VHSXEESVSA-N 1 1 310.358 -1.695 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627252 925324372 /nfs/dbraw/zinc/32/43/72/925324372.db2.gz XYXHOQGQCSWVNV-GXSJLCMTSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627252 925324381 /nfs/dbraw/zinc/32/43/81/925324381.db2.gz XYXHOQGQCSWVNV-GXSJLCMTSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627285 925325249 /nfs/dbraw/zinc/32/52/49/925325249.db2.gz XYXHOQGQCSWVNV-MWLCHTKSSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cn[nH]n1 ZINC001405627285 925325256 /nfs/dbraw/zinc/32/52/56/925325256.db2.gz XYXHOQGQCSWVNV-MWLCHTKSSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)CCC[NH+](C)C ZINC001405656707 925327850 /nfs/dbraw/zinc/32/78/50/925327850.db2.gz SORMTKCYNYCCRP-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cncn1 ZINC001405673624 925329399 /nfs/dbraw/zinc/32/93/99/925329399.db2.gz VQISGCQBVFKDCX-NWDGAFQWSA-N 1 1 324.385 -1.835 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001405660618 925329630 /nfs/dbraw/zinc/32/96/30/925329630.db2.gz AWSZJFKLLUOYSZ-UWVGGRQHSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)Cc1ccn[nH]1 ZINC001405796175 925335265 /nfs/dbraw/zinc/33/52/65/925335265.db2.gz KWKGBUQFZDUWQE-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nncn1C)N(C)C(=O)Cn1ncnn1 ZINC001405801167 925335762 /nfs/dbraw/zinc/33/57/62/925335762.db2.gz AJDVMKLHVWYYST-UWVGGRQHSA-N 1 1 307.362 -1.001 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCNC(=O)C2)[nH]1 ZINC001405849498 925337530 /nfs/dbraw/zinc/33/75/30/925337530.db2.gz NNFISJNUTMWZMZ-JTQLQIEISA-N 1 1 323.401 -1.519 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001405847330 925338242 /nfs/dbraw/zinc/33/82/42/925338242.db2.gz LBRNNMKZYHCEKX-VHSXEESVSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001405883372 925339530 /nfs/dbraw/zinc/33/95/30/925339530.db2.gz CNCQPEXENZAWIN-SECBINFHSA-N 1 1 320.357 -1.446 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001405883387 925340114 /nfs/dbraw/zinc/34/01/14/925340114.db2.gz CNCQPEXENZAWIN-VIFPVBQESA-N 1 1 320.357 -1.446 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001405865045 925340178 /nfs/dbraw/zinc/34/01/78/925340178.db2.gz FJPBVTKYSWNNHJ-BDAKNGLRSA-N 1 1 323.357 -1.650 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)CNC(N)=O)C2 ZINC001405993723 925341427 /nfs/dbraw/zinc/34/14/27/925341427.db2.gz IOIMOEXBJXMKDP-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001406027590 925343003 /nfs/dbraw/zinc/34/30/03/925343003.db2.gz GRNSUBQPLQXCRJ-LLVKDONJSA-N 1 1 323.357 -1.105 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001406078948 925343563 /nfs/dbraw/zinc/34/35/63/925343563.db2.gz AEFFBFFSWFYMOD-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001406078948 925343570 /nfs/dbraw/zinc/34/35/70/925343570.db2.gz AEFFBFFSWFYMOD-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001406078935 925343869 /nfs/dbraw/zinc/34/38/69/925343869.db2.gz AEFFBFFSWFYMOD-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001406078935 925343877 /nfs/dbraw/zinc/34/38/77/925343877.db2.gz AEFFBFFSWFYMOD-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)CNC(=O)NC)C1=O ZINC001406104085 925344612 /nfs/dbraw/zinc/34/46/12/925344612.db2.gz VGUZQFSXGVCYQZ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)CNC(=O)NC)C1=O ZINC001406104085 925344621 /nfs/dbraw/zinc/34/46/21/925344621.db2.gz VGUZQFSXGVCYQZ-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001406103732 925345724 /nfs/dbraw/zinc/34/57/24/925345724.db2.gz YVFDJAVVVAAPQF-BFVZDQMLSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001406103732 925345733 /nfs/dbraw/zinc/34/57/33/925345733.db2.gz YVFDJAVVVAAPQF-BFVZDQMLSA-N 1 1 312.370 -1.004 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001406105462 925346429 /nfs/dbraw/zinc/34/64/29/925346429.db2.gz XSNJORKXCYQSOI-JTQLQIEISA-N 1 1 302.375 -1.645 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001406105462 925346434 /nfs/dbraw/zinc/34/64/34/925346434.db2.gz XSNJORKXCYQSOI-JTQLQIEISA-N 1 1 302.375 -1.645 20 0 DAADMO COCC[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001406145067 925346982 /nfs/dbraw/zinc/34/69/82/925346982.db2.gz FUODCBBVTWPWRB-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406137182 925347367 /nfs/dbraw/zinc/34/73/67/925347367.db2.gz CTVXCGYZMUKBMC-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406137182 925347375 /nfs/dbraw/zinc/34/73/75/925347375.db2.gz CTVXCGYZMUKBMC-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406137189 925347422 /nfs/dbraw/zinc/34/74/22/925347422.db2.gz CTVXCGYZMUKBMC-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406137189 925347432 /nfs/dbraw/zinc/34/74/32/925347432.db2.gz CTVXCGYZMUKBMC-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001406123037 925347522 /nfs/dbraw/zinc/34/75/22/925347522.db2.gz IJMYAYPDTYOFBX-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001406123037 925347533 /nfs/dbraw/zinc/34/75/33/925347533.db2.gz IJMYAYPDTYOFBX-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001406132584 925347626 /nfs/dbraw/zinc/34/76/26/925347626.db2.gz UKGWPVSXYXJUAO-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001406132584 925347636 /nfs/dbraw/zinc/34/76/36/925347636.db2.gz UKGWPVSXYXJUAO-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001406175012 925347942 /nfs/dbraw/zinc/34/79/42/925347942.db2.gz DQCOIZZLKJPKDE-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001406122669 925348038 /nfs/dbraw/zinc/34/80/38/925348038.db2.gz JNOBYWBXLVIMMD-UHFFFAOYSA-N 1 1 323.419 -2.481 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001406122669 925348045 /nfs/dbraw/zinc/34/80/45/925348045.db2.gz JNOBYWBXLVIMMD-UHFFFAOYSA-N 1 1 323.419 -2.481 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)on1 ZINC001406180813 925348188 /nfs/dbraw/zinc/34/81/88/925348188.db2.gz HVKAJSAFQHCAOK-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001406130772 925348753 /nfs/dbraw/zinc/34/87/53/925348753.db2.gz XMHDPQZMYZCIEC-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001406130772 925348763 /nfs/dbraw/zinc/34/87/63/925348763.db2.gz XMHDPQZMYZCIEC-QMMMGPOBSA-N 1 1 311.346 -1.300 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC001406131516 925349133 /nfs/dbraw/zinc/34/91/33/925349133.db2.gz WGJVHEIWGOAELD-NSHDSACASA-N 1 1 322.431 -1.533 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001406178890 925349164 /nfs/dbraw/zinc/34/91/64/925349164.db2.gz XZFXXJACIDYMQE-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001406178890 925349174 /nfs/dbraw/zinc/34/91/74/925349174.db2.gz XZFXXJACIDYMQE-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO COc1ncc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001406148110 925349454 /nfs/dbraw/zinc/34/94/54/925349454.db2.gz PXPIUPMLAWOKKU-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO COc1ncc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001406148110 925349463 /nfs/dbraw/zinc/34/94/63/925349463.db2.gz PXPIUPMLAWOKKU-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)n1cccn1 ZINC001406202136 925353058 /nfs/dbraw/zinc/35/30/58/925353058.db2.gz DRFLXTXGUKZDCZ-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)C1 ZINC001406197263 925353253 /nfs/dbraw/zinc/35/32/53/925353253.db2.gz AARWELPVBBLHAD-NSHDSACASA-N 1 1 310.358 -2.140 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cnn(C)c2)n1 ZINC001406209242 925357540 /nfs/dbraw/zinc/35/75/40/925357540.db2.gz KFWFNRMCSDJRRX-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001406211847 925357889 /nfs/dbraw/zinc/35/78/89/925357889.db2.gz KIHQHSYLAHELDP-JTQLQIEISA-N 1 1 322.373 -1.005 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n(C)n1 ZINC001406209581 925358060 /nfs/dbraw/zinc/35/80/60/925358060.db2.gz KKPJBLMZUXIURS-NXEZZACHSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n(C)n1 ZINC001406209655 925358273 /nfs/dbraw/zinc/35/82/73/925358273.db2.gz KKPJBLMZUXIURS-VHSXEESVSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001406215548 925359645 /nfs/dbraw/zinc/35/96/45/925359645.db2.gz OCZZFNBBLYUMCE-VHSXEESVSA-N 1 1 310.354 -1.056 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001406220657 925359841 /nfs/dbraw/zinc/35/98/41/925359841.db2.gz MPNUKLMBESVPKU-SNVBAGLBSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001406217477 925360153 /nfs/dbraw/zinc/36/01/53/925360153.db2.gz JTNUFVKQDRGJKY-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)[nH]n1 ZINC001406215636 925360659 /nfs/dbraw/zinc/36/06/59/925360659.db2.gz MJJOVOYEKOXCMB-SNVBAGLBSA-N 1 1 320.357 -1.080 20 0 DAADMO Cc1ocnc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406221578 925361643 /nfs/dbraw/zinc/36/16/43/925361643.db2.gz TVFQEVMZPFTRRQ-IONNQARKSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1)c1nnnn1C ZINC001406224273 925362641 /nfs/dbraw/zinc/36/26/41/925362641.db2.gz WQLODPKMDSCCTA-ONGXEEELSA-N 1 1 322.373 -1.686 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001406222942 925362909 /nfs/dbraw/zinc/36/29/09/925362909.db2.gz PCFRRLCCFSBLEG-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1=O ZINC001406228154 925363792 /nfs/dbraw/zinc/36/37/92/925363792.db2.gz LBPYLLWHUOQTDJ-MWLCHTKSSA-N 1 1 311.342 -1.495 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nc(C)c(C)o1 ZINC001406228985 925365598 /nfs/dbraw/zinc/36/55/98/925365598.db2.gz ATVTYQZWCJNCPU-SNVBAGLBSA-N 1 1 313.358 -1.213 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001406231041 925365787 /nfs/dbraw/zinc/36/57/87/925365787.db2.gz YCMAJVVECCVRTB-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)nn1 ZINC001406231111 925366253 /nfs/dbraw/zinc/36/62/53/925366253.db2.gz YSHGUNNQTPRORD-LLVKDONJSA-N 1 1 322.373 -1.132 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1ncccn1 ZINC001406234517 925368041 /nfs/dbraw/zinc/36/80/41/925368041.db2.gz HHHZJUGJEUERLD-VHSXEESVSA-N 1 1 310.358 -1.467 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001406237202 925370151 /nfs/dbraw/zinc/37/01/51/925370151.db2.gz DLZCZQODXJZUQF-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)cc1=O ZINC001406243050 925370816 /nfs/dbraw/zinc/37/08/16/925370816.db2.gz LGQOXEYANARNPF-JTQLQIEISA-N 1 1 307.310 -1.351 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNCc1ncnn1C ZINC001406243707 925370873 /nfs/dbraw/zinc/37/08/73/925370873.db2.gz KKBMDYAGEMDSJX-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)[nH]1 ZINC001406243138 925370917 /nfs/dbraw/zinc/37/09/17/925370917.db2.gz LYVGJXQCJSPLIQ-VIFPVBQESA-N 1 1 321.341 -1.913 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)cc1=O ZINC001406242114 925371593 /nfs/dbraw/zinc/37/15/93/925371593.db2.gz LOIURUHXLKTCIY-NSHDSACASA-N 1 1 307.310 -1.351 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)N1CCOCC1 ZINC001406244662 925372584 /nfs/dbraw/zinc/37/25/84/925372584.db2.gz DOZQGIMUIRRZFB-VIFPVBQESA-N 1 1 312.330 -2.656 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C2(F)CCOCC2)nn1 ZINC001406245275 925373019 /nfs/dbraw/zinc/37/30/19/925373019.db2.gz QJELIWHOZSUBST-NSHDSACASA-N 1 1 315.349 -1.100 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406244329 925373535 /nfs/dbraw/zinc/37/35/35/925373535.db2.gz DDERIMLMIJOMGW-QWRGUYRKSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1cc(C)n(CC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001406250698 925375250 /nfs/dbraw/zinc/37/52/50/925375250.db2.gz UNEAQDATLNLIAF-ZDUSSCGKSA-N 1 1 321.385 -1.105 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1ccon1)c1nnnn1C ZINC001406248047 925375717 /nfs/dbraw/zinc/37/57/17/925375717.db2.gz QVWUWLYFSQWAKT-MWLCHTKSSA-N 1 1 323.357 -1.041 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)NC)n1 ZINC001406252801 925377573 /nfs/dbraw/zinc/37/75/73/925377573.db2.gz YKCGYDXQRSFXKO-SNVBAGLBSA-N 1 1 313.362 -2.206 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406252737 925377811 /nfs/dbraw/zinc/37/78/11/925377811.db2.gz LWYYLZOTAURUJE-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406253232 925377998 /nfs/dbraw/zinc/37/79/98/925377998.db2.gz JSUBECGMGDCSQE-PSASIEDQSA-N 1 1 312.330 -2.032 20 0 DAADMO Cn1cnnc1CNC[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001406255356 925378532 /nfs/dbraw/zinc/37/85/32/925378532.db2.gz ZFTSASUOLIBHGT-LBPRGKRZSA-N 1 1 310.402 -1.134 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2=NC(=O)N(C)C2)C1=O ZINC001406255169 925379818 /nfs/dbraw/zinc/37/98/18/925379818.db2.gz GAZMCHPHJLKSFM-RKDXNWHRSA-N 1 1 311.342 -1.963 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)nc1=O ZINC001406255214 925380251 /nfs/dbraw/zinc/38/02/51/925380251.db2.gz GIDHSTNVQHESDD-SECBINFHSA-N 1 1 300.363 -2.373 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C)c1nncn1C ZINC001406254462 925380637 /nfs/dbraw/zinc/38/06/37/925380637.db2.gz KCKVCHHKCXEUBV-BDAKNGLRSA-N 1 1 323.357 -1.304 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406257033 925380900 /nfs/dbraw/zinc/38/09/00/925380900.db2.gz GQMZHFJMLCRUSP-UWVGGRQHSA-N 1 1 313.362 -2.309 20 0 DAADMO COc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)co1 ZINC001406258026 925381678 /nfs/dbraw/zinc/38/16/78/925381678.db2.gz WSZZSOOYKRAZPC-QMMMGPOBSA-N 1 1 310.314 -1.010 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001406258154 925381722 /nfs/dbraw/zinc/38/17/22/925381722.db2.gz RAOSUMUWDKJZJH-MRBYEJRBSA-N 1 1 324.385 -1.408 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001406262902 925382944 /nfs/dbraw/zinc/38/29/44/925382944.db2.gz XVFQLXOFIVUDCO-QMMMGPOBSA-N 1 1 309.330 -1.865 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1C ZINC001406259456 925383220 /nfs/dbraw/zinc/38/32/20/925383220.db2.gz IUMZBTKKMPPHAJ-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001406262699 925384193 /nfs/dbraw/zinc/38/41/93/925384193.db2.gz OXHQBUMQBSSHBJ-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC001406262670 925384447 /nfs/dbraw/zinc/38/44/47/925384447.db2.gz XEAFPXDDRQIUSO-VIFPVBQESA-N 1 1 309.330 -1.865 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNCc2nnn(C)n2)C1 ZINC001406264657 925386918 /nfs/dbraw/zinc/38/69/18/925386918.db2.gz GNHQLLBECGWCTE-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406272665 925388771 /nfs/dbraw/zinc/38/87/71/925388771.db2.gz PUVXGIBNCTZKET-SNVBAGLBSA-N 1 1 307.310 -1.351 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001406273904 925390377 /nfs/dbraw/zinc/39/03/77/925390377.db2.gz HCLHNUIWOVEKED-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001406277815 925390646 /nfs/dbraw/zinc/39/06/46/925390646.db2.gz YGQDYTSQQXLHQC-ZJUUUORDSA-N 1 1 308.342 -1.967 20 0 DAADMO COc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001406277943 925390943 /nfs/dbraw/zinc/39/09/43/925390943.db2.gz GTYHIZRNXJKKQL-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001406273600 925391230 /nfs/dbraw/zinc/39/12/30/925391230.db2.gz JTSQBDSRMXYLBQ-NXEZZACHSA-N 1 1 310.358 -1.506 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001406273600 925391245 /nfs/dbraw/zinc/39/12/45/925391245.db2.gz JTSQBDSRMXYLBQ-NXEZZACHSA-N 1 1 310.358 -1.506 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001406281788 925391559 /nfs/dbraw/zinc/39/15/59/925391559.db2.gz LXFYXUMIPCOMHM-GFCCVEGCSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1)c1cnccn1 ZINC001406281483 925393204 /nfs/dbraw/zinc/39/32/04/925393204.db2.gz JLNKENOVNQNIFL-NXEZZACHSA-N 1 1 305.342 -1.035 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001406286617 925393451 /nfs/dbraw/zinc/39/34/51/925393451.db2.gz RJYIUIVKPUEGMK-GHMZBOCLSA-N 1 1 311.342 -1.353 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001406287807 925395153 /nfs/dbraw/zinc/39/51/53/925395153.db2.gz ZKGBRTBCYFKUJQ-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001406284236 925395335 /nfs/dbraw/zinc/39/53/35/925395335.db2.gz SWWSJZZJEIQDGS-LLVKDONJSA-N 1 1 319.369 -1.195 20 0 DAADMO COc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)cnn1C ZINC001406285208 925395653 /nfs/dbraw/zinc/39/56/53/925395653.db2.gz PVEYDOWDDYQHLQ-VIFPVBQESA-N 1 1 323.357 -1.562 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001406290928 925396384 /nfs/dbraw/zinc/39/63/84/925396384.db2.gz VXRRWTCEDFYYDV-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001406293075 925396525 /nfs/dbraw/zinc/39/65/25/925396525.db2.gz YTAAPLXZODZYJC-JTQLQIEISA-N 1 1 308.346 -2.247 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001406290984 925396749 /nfs/dbraw/zinc/39/67/49/925396749.db2.gz PWJCOHLBLFZUIG-JTQLQIEISA-N 1 1 308.346 -1.775 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1O ZINC001406290004 925396953 /nfs/dbraw/zinc/39/69/53/925396953.db2.gz RSMRIZBBVHSZRO-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)c1 ZINC001406290858 925397543 /nfs/dbraw/zinc/39/75/43/925397543.db2.gz VXRRWTCEDFYYDV-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cncn1)c1ncccn1 ZINC001406288877 925397948 /nfs/dbraw/zinc/39/79/48/925397948.db2.gz RQHRUJJBACJANW-GHMZBOCLSA-N 1 1 305.342 -1.104 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406290650 925398060 /nfs/dbraw/zinc/39/80/60/925398060.db2.gz VFFQKNAPBKVWER-DTWKUNHWSA-N 1 1 322.373 -1.063 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001406293981 925398570 /nfs/dbraw/zinc/39/85/70/925398570.db2.gz SBKBOMXPGJJUCA-MWLCHTKSSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001406293961 925398941 /nfs/dbraw/zinc/39/89/41/925398941.db2.gz SBKBOMXPGJJUCA-GXSJLCMTSA-N 1 1 310.358 -1.950 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)CCn2cnnn2)n1 ZINC001406294394 925399835 /nfs/dbraw/zinc/39/98/35/925399835.db2.gz USOLOQGSOLLYGY-NSHDSACASA-N 1 1 320.357 -1.571 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001406299455 925401995 /nfs/dbraw/zinc/40/19/95/925401995.db2.gz ZQLOOVNSVCYQNS-NWDGAFQWSA-N 1 1 300.403 -1.341 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ncccc1O ZINC001406348556 925404033 /nfs/dbraw/zinc/40/40/33/925404033.db2.gz VDEDURQBXQCCHE-MRVPVSSYSA-N 1 1 309.326 -1.049 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001406367692 925404950 /nfs/dbraw/zinc/40/49/50/925404950.db2.gz ZUVKHIOLIMZBFH-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001406366740 925405013 /nfs/dbraw/zinc/40/50/13/925405013.db2.gz XREJNHPFGLHYSE-MRVPVSSYSA-N 1 1 305.360 -1.397 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001406356808 925405358 /nfs/dbraw/zinc/40/53/58/925405358.db2.gz ZLRLZHYTABRGST-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)c1cnn[nH]1 ZINC001406377329 925408656 /nfs/dbraw/zinc/40/86/56/925408656.db2.gz RYPQNXZHQJKIQF-RKDXNWHRSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001406397276 925412634 /nfs/dbraw/zinc/41/26/34/925412634.db2.gz AXACFSXSYVONQP-BBBLOLIVSA-N 1 1 309.374 -1.294 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)c1ccc(=O)n(C)n1 ZINC001406426284 925414917 /nfs/dbraw/zinc/41/49/17/925414917.db2.gz ZEOZSLIKDRXXGC-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001406474594 925415921 /nfs/dbraw/zinc/41/59/21/925415921.db2.gz OHUCMWPKNBSWBQ-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](C)NC(=O)Cn1cnnn1 ZINC001406453559 925416024 /nfs/dbraw/zinc/41/60/24/925416024.db2.gz ZUXBTZXPURGACN-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406492258 925417560 /nfs/dbraw/zinc/41/75/60/925417560.db2.gz GUQONXJITGGXLV-QMMMGPOBSA-N 1 1 308.298 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1nc(C2CC2)nn1C)NC(=O)Cn1ncnn1 ZINC001406481126 925417796 /nfs/dbraw/zinc/41/77/96/925417796.db2.gz KWDLRKCHZDOQMY-VIFPVBQESA-N 1 1 319.373 -1.027 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1=NC(=O)N(C)C1 ZINC001406517616 925420526 /nfs/dbraw/zinc/42/05/26/925420526.db2.gz YDXHKSYCAUEBRG-ZETCQYMHSA-N 1 1 312.330 -1.711 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001406576523 925421797 /nfs/dbraw/zinc/42/17/97/925421797.db2.gz BEQSIBJBVOPOPA-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001406576523 925421800 /nfs/dbraw/zinc/42/18/00/925421800.db2.gz BEQSIBJBVOPOPA-QMMMGPOBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001406558419 925421959 /nfs/dbraw/zinc/42/19/59/925421959.db2.gz UKNBXUCEPBPYSN-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406534028 925422109 /nfs/dbraw/zinc/42/21/09/925422109.db2.gz FOBJSICTZMFUAO-CBAPKCEASA-N 1 1 319.387 -1.090 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406595599 925424210 /nfs/dbraw/zinc/42/42/10/925424210.db2.gz DMVLEUBALWGUAG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406595599 925424213 /nfs/dbraw/zinc/42/42/13/925424213.db2.gz DMVLEUBALWGUAG-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001406604983 925424262 /nfs/dbraw/zinc/42/42/62/925424262.db2.gz HWKOZNFDGZUPLT-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)Cn1cnnn1 ZINC001406581966 925424289 /nfs/dbraw/zinc/42/42/89/925424289.db2.gz FQPLXFIIQFEYJB-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001406620677 925424423 /nfs/dbraw/zinc/42/44/23/925424423.db2.gz SYWHZBUMJDXYIM-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001406620677 925424428 /nfs/dbraw/zinc/42/44/28/925424428.db2.gz SYWHZBUMJDXYIM-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001406609009 925424736 /nfs/dbraw/zinc/42/47/36/925424736.db2.gz KRQAHHHFHGHTLM-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001406609009 925424743 /nfs/dbraw/zinc/42/47/43/925424743.db2.gz KRQAHHHFHGHTLM-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001406583083 925424952 /nfs/dbraw/zinc/42/49/52/925424952.db2.gz HYPRJVQDZCHVPX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001406583083 925424955 /nfs/dbraw/zinc/42/49/55/925424955.db2.gz HYPRJVQDZCHVPX-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001406585661 925425086 /nfs/dbraw/zinc/42/50/86/925425086.db2.gz OWOLLTRTNRLUKY-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001406585661 925425095 /nfs/dbraw/zinc/42/50/95/925425095.db2.gz OWOLLTRTNRLUKY-VIFPVBQESA-N 1 1 319.391 -2.341 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001406639741 925425692 /nfs/dbraw/zinc/42/56/92/925425692.db2.gz UIWARBNIMPYAJN-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001406621582 925425655 /nfs/dbraw/zinc/42/56/55/925425655.db2.gz SLHNBNUHHRUMNX-IUCAKERBSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001406621582 925425658 /nfs/dbraw/zinc/42/56/58/925425658.db2.gz SLHNBNUHHRUMNX-IUCAKERBSA-N 1 1 322.387 -1.920 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001406639741 925425685 /nfs/dbraw/zinc/42/56/85/925425685.db2.gz UIWARBNIMPYAJN-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406643327 925425969 /nfs/dbraw/zinc/42/59/69/925425969.db2.gz AAZYDROBYJBWFF-KOLCDFICSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406643327 925425975 /nfs/dbraw/zinc/42/59/75/925425975.db2.gz AAZYDROBYJBWFF-KOLCDFICSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001406634881 925426109 /nfs/dbraw/zinc/42/61/09/925426109.db2.gz KUEVLTLHFJHDFN-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001406634881 925426121 /nfs/dbraw/zinc/42/61/21/925426121.db2.gz KUEVLTLHFJHDFN-SNVBAGLBSA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001406621590 925426308 /nfs/dbraw/zinc/42/63/08/925426308.db2.gz SLHNBNUHHRUMNX-RKDXNWHRSA-N 1 1 322.387 -1.920 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001406621590 925426315 /nfs/dbraw/zinc/42/63/15/925426315.db2.gz SLHNBNUHHRUMNX-RKDXNWHRSA-N 1 1 322.387 -1.920 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406659640 925426459 /nfs/dbraw/zinc/42/64/59/925426459.db2.gz AQZHVCMVDOUSFH-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001406659640 925426463 /nfs/dbraw/zinc/42/64/63/925426463.db2.gz AQZHVCMVDOUSFH-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641703 925426528 /nfs/dbraw/zinc/42/65/28/925426528.db2.gz NKTIVTSDCUTDKU-IUCAKERBSA-N 1 1 311.342 -1.741 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001406641703 925426531 /nfs/dbraw/zinc/42/65/31/925426531.db2.gz NKTIVTSDCUTDKU-IUCAKERBSA-N 1 1 311.342 -1.741 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001406628764 925426536 /nfs/dbraw/zinc/42/65/36/925426536.db2.gz DKIZRJIRFZITNR-MRVPVSSYSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001406628764 925426538 /nfs/dbraw/zinc/42/65/38/925426538.db2.gz DKIZRJIRFZITNR-MRVPVSSYSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001406629371 925426610 /nfs/dbraw/zinc/42/66/10/925426610.db2.gz RZSBISJDVYLJPW-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001406629371 925426613 /nfs/dbraw/zinc/42/66/13/925426613.db2.gz RZSBISJDVYLJPW-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H](C)CC(N)=O ZINC001406646514 925426642 /nfs/dbraw/zinc/42/66/42/925426642.db2.gz LOJSGUYDDJBDAQ-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CN1CCNC(=O)C1 ZINC001406652780 925426698 /nfs/dbraw/zinc/42/66/98/925426698.db2.gz UPDINBLQMSFOKH-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001406633658 925427003 /nfs/dbraw/zinc/42/70/03/925427003.db2.gz JVOCSLHQWKUODL-WDEREUQCSA-N 1 1 312.370 -1.162 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001406622808 925427033 /nfs/dbraw/zinc/42/70/33/925427033.db2.gz UGWPKZVWRIVTEZ-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001406622808 925427042 /nfs/dbraw/zinc/42/70/42/925427042.db2.gz UGWPKZVWRIVTEZ-JTQLQIEISA-N 1 1 301.391 -1.122 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406671215 925427927 /nfs/dbraw/zinc/42/79/27/925427927.db2.gz TWRIIGFSKKUJOH-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406671215 925427931 /nfs/dbraw/zinc/42/79/31/925427931.db2.gz TWRIIGFSKKUJOH-WPRPVWTQSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406693618 925428065 /nfs/dbraw/zinc/42/80/65/925428065.db2.gz MQUBUBXULULJJO-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001406710325 925428573 /nfs/dbraw/zinc/42/85/73/925428573.db2.gz WQCBOFFAWDYKGT-GUBZILKMSA-N 1 1 316.358 -1.972 20 0 DAADMO C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001406687372 925428760 /nfs/dbraw/zinc/42/87/60/925428760.db2.gz BSDQINRZBNKJKG-ZJUUUORDSA-N 1 1 323.357 -1.687 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406709346 925429001 /nfs/dbraw/zinc/42/90/01/925429001.db2.gz UXMYGFYJTGSKJF-GHMZBOCLSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703045 925429282 /nfs/dbraw/zinc/42/92/82/925429282.db2.gz VPVKVDFDWLRQHX-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703045 925429291 /nfs/dbraw/zinc/42/92/91/925429291.db2.gz VPVKVDFDWLRQHX-NXEZZACHSA-N 1 1 322.431 -1.551 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001406768077 925431502 /nfs/dbraw/zinc/43/15/02/925431502.db2.gz BXPUSKOKBVSAAD-RKDXNWHRSA-N 1 1 308.346 -2.124 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1C ZINC001406758948 925431733 /nfs/dbraw/zinc/43/17/33/925431733.db2.gz SNBLJAVZDBBQSD-KOLCDFICSA-N 1 1 322.369 -1.035 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001406818838 925432920 /nfs/dbraw/zinc/43/29/20/925432920.db2.gz XNCKUDMSBAJVHV-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001406818843 925433287 /nfs/dbraw/zinc/43/32/87/925433287.db2.gz XNCKUDMSBAJVHV-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001406818223 925433572 /nfs/dbraw/zinc/43/35/72/925433572.db2.gz BMDIZKXQEKVWQH-GXSJLCMTSA-N 1 1 310.358 -1.552 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001406818231 925433737 /nfs/dbraw/zinc/43/37/37/925433737.db2.gz BMDIZKXQEKVWQH-ONGXEEELSA-N 1 1 310.358 -1.552 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001406846989 925436817 /nfs/dbraw/zinc/43/68/17/925436817.db2.gz IEXHQHUJWQMACU-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001406857779 925438811 /nfs/dbraw/zinc/43/88/11/925438811.db2.gz PCAMVRBQZSEWJA-MNOVXSKESA-N 1 1 324.385 -1.164 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001406898055 925441633 /nfs/dbraw/zinc/44/16/33/925441633.db2.gz RSLKCKXDSNUCGQ-TUAOUCFPSA-N 1 1 314.386 -1.273 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3cccnn3)CC2)nc1=O ZINC001406983059 925444781 /nfs/dbraw/zinc/44/47/81/925444781.db2.gz WQXZTKDOROEOJQ-UHFFFAOYSA-N 1 1 303.326 -1.049 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C)n1 ZINC001407007816 925446984 /nfs/dbraw/zinc/44/69/84/925446984.db2.gz VCWZHSACTJJJKA-WOPDTQHZSA-N 1 1 324.385 -1.104 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001407022320 925447004 /nfs/dbraw/zinc/44/70/04/925447004.db2.gz WLWGVHGPELJTMT-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@]2(CC[N@@H+](C[C@@H](C)O)C2)C1 ZINC001407035281 925447973 /nfs/dbraw/zinc/44/79/73/925447973.db2.gz GIZAMNNAMJMLCO-DGCLKSJQSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001407094711 925450865 /nfs/dbraw/zinc/45/08/65/925450865.db2.gz YEEZARLJCSRNFX-UHFFFAOYSA-N 1 1 313.402 -1.075 20 0 DAADMO CN(CC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407161980 925454523 /nfs/dbraw/zinc/45/45/23/925454523.db2.gz BJBKEOVYRHNPDC-GFCCVEGCSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@H](OC)C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001407151219 925454852 /nfs/dbraw/zinc/45/48/52/925454852.db2.gz GARWIXDHTFFDLV-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CN1CCN(CC(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)CC1=O ZINC001407160382 925454867 /nfs/dbraw/zinc/45/48/67/925454867.db2.gz HIPHQQMCNOTUPF-OAHLLOKOSA-N 1 1 312.414 -1.277 20 0 DAADMO CN1CCN(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001407172877 925456092 /nfs/dbraw/zinc/45/60/92/925456092.db2.gz YDLQPXZWSVNCRS-CQSZACIVSA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CCN(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001407172877 925456094 /nfs/dbraw/zinc/45/60/94/925456094.db2.gz YDLQPXZWSVNCRS-CQSZACIVSA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3ncnn3)C2)C1=O ZINC001407175746 925456707 /nfs/dbraw/zinc/45/67/07/925456707.db2.gz LMTWXWLFSBWPTB-MFKMUULPSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001407174281 925457688 /nfs/dbraw/zinc/45/76/88/925457688.db2.gz GMWUVUBTZOOWFA-IINYFYTJSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001407212922 925458289 /nfs/dbraw/zinc/45/82/89/925458289.db2.gz YXHWSOYITYBAJT-CQSZACIVSA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001407212922 925458297 /nfs/dbraw/zinc/45/82/97/925458297.db2.gz YXHWSOYITYBAJT-CQSZACIVSA-N 1 1 324.385 -1.783 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407189992 925458383 /nfs/dbraw/zinc/45/83/83/925458383.db2.gz YRYDJELDDZKIHA-IINYFYTJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407189992 925458390 /nfs/dbraw/zinc/45/83/90/925458390.db2.gz YRYDJELDDZKIHA-IINYFYTJSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407187753 925458403 /nfs/dbraw/zinc/45/84/03/925458403.db2.gz FIMTUWGSWWEQMR-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407187753 925458416 /nfs/dbraw/zinc/45/84/16/925458416.db2.gz FIMTUWGSWWEQMR-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001407213041 925458689 /nfs/dbraw/zinc/45/86/89/925458689.db2.gz FEDLGCOADMNRIC-ZDUSSCGKSA-N 1 1 319.373 -1.019 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001407212920 925459359 /nfs/dbraw/zinc/45/93/59/925459359.db2.gz YXHWSOYITYBAJT-AWEZNQCLSA-N 1 1 324.385 -1.783 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001407212920 925459365 /nfs/dbraw/zinc/45/93/65/925459365.db2.gz YXHWSOYITYBAJT-AWEZNQCLSA-N 1 1 324.385 -1.783 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407189995 925459377 /nfs/dbraw/zinc/45/93/77/925459377.db2.gz YRYDJELDDZKIHA-QMTHXVAHSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407189995 925459380 /nfs/dbraw/zinc/45/93/80/925459380.db2.gz YRYDJELDDZKIHA-QMTHXVAHSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C)C(=O)C[NH2+]C1(CNC(=O)c2cnn[nH]2)CCOCC1 ZINC001407299997 925461908 /nfs/dbraw/zinc/46/19/08/925461908.db2.gz IYYPACTVXOMILD-UHFFFAOYSA-N 1 1 310.358 -1.239 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001407317427 925462449 /nfs/dbraw/zinc/46/24/49/925462449.db2.gz KQUNDTQFBFLDMK-CQSZACIVSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(C)C)C1 ZINC001407317427 925462452 /nfs/dbraw/zinc/46/24/52/925462452.db2.gz KQUNDTQFBFLDMK-CQSZACIVSA-N 1 1 314.386 -1.800 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1)N1CCC1 ZINC001407329805 925463117 /nfs/dbraw/zinc/46/31/17/925463117.db2.gz ZXTZIMQZHPWGCL-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCO2)C1)N1CCC1 ZINC001407329805 925463121 /nfs/dbraw/zinc/46/31/21/925463121.db2.gz ZXTZIMQZHPWGCL-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001407328765 925463300 /nfs/dbraw/zinc/46/33/00/925463300.db2.gz KVEUASLWSJABKD-PWSUYJOCSA-N 1 1 300.338 -1.026 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001407348991 925464017 /nfs/dbraw/zinc/46/40/17/925464017.db2.gz HOHYYEMQHQIISF-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001407342643 925464050 /nfs/dbraw/zinc/46/40/50/925464050.db2.gz JQFMREUQWBHNBC-TVQRCGJNSA-N 1 1 310.358 -1.754 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407340817 925464110 /nfs/dbraw/zinc/46/41/10/925464110.db2.gz GOOCKPBGBLZFRQ-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001407340817 925464114 /nfs/dbraw/zinc/46/41/14/925464114.db2.gz GOOCKPBGBLZFRQ-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001407342595 925464261 /nfs/dbraw/zinc/46/42/61/925464261.db2.gz JQFMREUQWBHNBC-NOZJJQNGSA-N 1 1 310.358 -1.754 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407345850 925464569 /nfs/dbraw/zinc/46/45/69/925464569.db2.gz DBMANTNFWDWBLN-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001407345850 925464575 /nfs/dbraw/zinc/46/45/75/925464575.db2.gz DBMANTNFWDWBLN-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001407343350 925465190 /nfs/dbraw/zinc/46/51/90/925465190.db2.gz KJFKJCYHDQTYFM-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001407343350 925465199 /nfs/dbraw/zinc/46/51/99/925465199.db2.gz KJFKJCYHDQTYFM-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001407334782 925465321 /nfs/dbraw/zinc/46/53/21/925465321.db2.gz ZAZPYOLDRKPIOG-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001407334782 925465327 /nfs/dbraw/zinc/46/53/27/925465327.db2.gz ZAZPYOLDRKPIOG-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001407347250 925465371 /nfs/dbraw/zinc/46/53/71/925465371.db2.gz KBHBTBACACYVHU-GFCCVEGCSA-N 1 1 306.384 -1.770 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001407347250 925465376 /nfs/dbraw/zinc/46/53/76/925465376.db2.gz KBHBTBACACYVHU-GFCCVEGCSA-N 1 1 306.384 -1.770 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001407343774 925465570 /nfs/dbraw/zinc/46/55/70/925465570.db2.gz GJTKEWBAWMKXMN-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)C1CC1 ZINC001407346177 925465876 /nfs/dbraw/zinc/46/58/76/925465876.db2.gz DSMKXWMZAAXTLP-CQSZACIVSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnon2)C1)C1CC1 ZINC001407346177 925465888 /nfs/dbraw/zinc/46/58/88/925465888.db2.gz DSMKXWMZAAXTLP-CQSZACIVSA-N 1 1 323.353 -1.143 20 0 DAADMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001407347082 925466123 /nfs/dbraw/zinc/46/61/23/925466123.db2.gz LSFHUEXXFGLOAY-NSHDSACASA-N 1 1 309.388 -2.577 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407354501 925466680 /nfs/dbraw/zinc/46/66/80/925466680.db2.gz WEXBVARQYAGTOV-OAHLLOKOSA-N 1 1 313.398 -1.067 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407354501 925466686 /nfs/dbraw/zinc/46/66/86/925466686.db2.gz WEXBVARQYAGTOV-OAHLLOKOSA-N 1 1 313.398 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352571 925466744 /nfs/dbraw/zinc/46/67/44/925466744.db2.gz UHAXPECUTRLXEM-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCC3)C1 ZINC001407352571 925466748 /nfs/dbraw/zinc/46/67/48/925466748.db2.gz UHAXPECUTRLXEM-ZUZCIYMTSA-N 1 1 321.381 -1.130 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349506 925467463 /nfs/dbraw/zinc/46/74/63/925467463.db2.gz PXXMQGPPRXSRTD-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cncnc1 ZINC001407349506 925467472 /nfs/dbraw/zinc/46/74/72/925467472.db2.gz PXXMQGPPRXSRTD-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cncn3C)C2)n1 ZINC001407351344 925467529 /nfs/dbraw/zinc/46/75/29/925467529.db2.gz OFAHWYNYMLMPRD-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cncn3C)C2)n1 ZINC001407351344 925467539 /nfs/dbraw/zinc/46/75/39/925467539.db2.gz OFAHWYNYMLMPRD-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)C(=O)C1CC1 ZINC001407352827 925467766 /nfs/dbraw/zinc/46/77/66/925467766.db2.gz UUQIQJOVUXYRCV-OAHLLOKOSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001407352710 925467898 /nfs/dbraw/zinc/46/78/98/925467898.db2.gz PMDXXIOBFORRCG-IAQYHMDHSA-N 1 1 313.398 -1.021 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)co1 ZINC001407354933 925467941 /nfs/dbraw/zinc/46/79/41/925467941.db2.gz WLCTUEVHBMYDHB-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)co1 ZINC001407354933 925467945 /nfs/dbraw/zinc/46/79/45/925467945.db2.gz WLCTUEVHBMYDHB-CQSZACIVSA-N 1 1 324.337 -1.050 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001407350963 925468056 /nfs/dbraw/zinc/46/80/56/925468056.db2.gz BTEBKSFSLPYAGI-CABZTGNLSA-N 1 1 316.383 -1.288 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001407353176 925468137 /nfs/dbraw/zinc/46/81/37/925468137.db2.gz BEURAEAJWDYCLI-CQSZACIVSA-N 1 1 311.338 -1.534 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001407357381 925468240 /nfs/dbraw/zinc/46/82/40/925468240.db2.gz AMFVSEQKSDRNOM-DOMZBBRYSA-N 1 1 323.397 -1.052 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001407355968 925468406 /nfs/dbraw/zinc/46/84/06/925468406.db2.gz UCSWQQAZNSHXQV-GXTWGEPZSA-N 1 1 301.387 -1.164 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001407355657 925468620 /nfs/dbraw/zinc/46/86/20/925468620.db2.gz YGCCPIBRFXFCRJ-OAHLLOKOSA-N 1 1 324.381 -1.492 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407358043 925469196 /nfs/dbraw/zinc/46/91/96/925469196.db2.gz AROSDJZNPGKSDR-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001407358043 925469204 /nfs/dbraw/zinc/46/92/04/925469204.db2.gz AROSDJZNPGKSDR-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO CO[C@H](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407362815 925469248 /nfs/dbraw/zinc/46/92/48/925469248.db2.gz QKXKISKAOHPIDC-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO CO[C@H](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407362815 925469255 /nfs/dbraw/zinc/46/92/55/925469255.db2.gz QKXKISKAOHPIDC-RNCFNFMXSA-N 1 1 316.358 -1.841 20 0 DAADMO Cc1ccn(C[C@@H](C)C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001407360891 925469376 /nfs/dbraw/zinc/46/93/76/925469376.db2.gz XHUYMVSLWARAAX-IAQYHMDHSA-N 1 1 323.397 -1.134 20 0 DAADMO Cc1ccn(C[C@@H](C)C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001407360891 925469384 /nfs/dbraw/zinc/46/93/84/925469384.db2.gz XHUYMVSLWARAAX-IAQYHMDHSA-N 1 1 323.397 -1.134 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001407358115 925469587 /nfs/dbraw/zinc/46/95/87/925469587.db2.gz HAAUFALLOPZOMN-OAHLLOKOSA-N 1 1 323.397 -1.298 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001407359404 925469781 /nfs/dbraw/zinc/46/97/81/925469781.db2.gz BYHGXQUOPSOVLE-ZDUSSCGKSA-N 1 1 314.342 -2.526 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001407357481 925469928 /nfs/dbraw/zinc/46/99/28/925469928.db2.gz TUEKNMAHUDYYFC-AWEZNQCLSA-N 1 1 322.369 -1.345 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC001407357481 925469935 /nfs/dbraw/zinc/46/99/35/925469935.db2.gz TUEKNMAHUDYYFC-AWEZNQCLSA-N 1 1 322.369 -1.345 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001407363675 925470588 /nfs/dbraw/zinc/47/05/88/925470588.db2.gz NMMAAABPANUKHO-WFASDCNBSA-N 1 1 313.398 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364895 925470834 /nfs/dbraw/zinc/47/08/34/925470834.db2.gz BRBQIODQCFBDIO-RFAUZJTJSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364895 925470841 /nfs/dbraw/zinc/47/08/41/925470841.db2.gz BRBQIODQCFBDIO-RFAUZJTJSA-N 1 1 321.381 -1.061 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001407363450 925471025 /nfs/dbraw/zinc/47/10/25/925471025.db2.gz MTZFLQDHHLJWFE-ZWNOBZJWSA-N 1 1 303.359 -2.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001407363450 925471029 /nfs/dbraw/zinc/47/10/29/925471029.db2.gz MTZFLQDHHLJWFE-ZWNOBZJWSA-N 1 1 303.359 -2.053 20 0 DAADMO Cc1ccn(C[C@@H](C)C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001407360882 925471053 /nfs/dbraw/zinc/47/10/53/925471053.db2.gz XHUYMVSLWARAAX-ABAIWWIYSA-N 1 1 323.397 -1.134 20 0 DAADMO Cc1ccn(C[C@@H](C)C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001407360882 925471058 /nfs/dbraw/zinc/47/10/58/925471058.db2.gz XHUYMVSLWARAAX-ABAIWWIYSA-N 1 1 323.397 -1.134 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407366980 925472093 /nfs/dbraw/zinc/47/20/93/925472093.db2.gz PEEDZXAGBAUUEB-RISCZKNCSA-N 1 1 322.369 -1.846 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407366980 925472099 /nfs/dbraw/zinc/47/20/99/925472099.db2.gz PEEDZXAGBAUUEB-RISCZKNCSA-N 1 1 322.369 -1.846 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@@H]1CCC(=O)N1 ZINC001407370514 925472441 /nfs/dbraw/zinc/47/24/41/925472441.db2.gz MGXMJRLLIPKWFY-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001407373512 925472633 /nfs/dbraw/zinc/47/26/33/925472633.db2.gz DUXPGNFGIPESOW-AWEZNQCLSA-N 1 1 324.385 -1.476 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001407373512 925472638 /nfs/dbraw/zinc/47/26/38/925472638.db2.gz DUXPGNFGIPESOW-AWEZNQCLSA-N 1 1 324.385 -1.476 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]n2)C1 ZINC001407370906 925472852 /nfs/dbraw/zinc/47/28/52/925472852.db2.gz GZYNGYUQIZADTQ-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001407370906 925472858 /nfs/dbraw/zinc/47/28/58/925472858.db2.gz GZYNGYUQIZADTQ-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001407370906 925472864 /nfs/dbraw/zinc/47/28/64/925472864.db2.gz GZYNGYUQIZADTQ-CQSZACIVSA-N 1 1 319.369 -1.053 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407368732 925473121 /nfs/dbraw/zinc/47/31/21/925473121.db2.gz LIOBXNRGOYGUME-GWCFXTLKSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001407368732 925473126 /nfs/dbraw/zinc/47/31/26/925473126.db2.gz LIOBXNRGOYGUME-GWCFXTLKSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001407368732 925473135 /nfs/dbraw/zinc/47/31/35/925473135.db2.gz LIOBXNRGOYGUME-GWCFXTLKSA-N 1 1 313.358 -2.093 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccnn3C)C2)C1=O ZINC001407367198 925473172 /nfs/dbraw/zinc/47/31/72/925473172.db2.gz ZFLAOGBVMNHIMV-IUODEOHRSA-N 1 1 321.381 -1.183 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001407365999 925473184 /nfs/dbraw/zinc/47/31/84/925473184.db2.gz ISIKFLJOUFKXBT-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001407365999 925473189 /nfs/dbraw/zinc/47/31/89/925473189.db2.gz ISIKFLJOUFKXBT-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO CCC[N@H+]1CC[C@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001407379043 925473931 /nfs/dbraw/zinc/47/39/31/925473931.db2.gz MOYAUDHJOHSBMT-HNNXBMFYSA-N 1 1 312.414 -1.277 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001407374513 925474102 /nfs/dbraw/zinc/47/41/02/925474102.db2.gz BWDCGWMNFZZOOQ-CQSZACIVSA-N 1 1 316.377 -1.669 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001407375862 925474172 /nfs/dbraw/zinc/47/41/72/925474172.db2.gz RHMKJIZYKBBTRZ-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001407375862 925474176 /nfs/dbraw/zinc/47/41/76/925474176.db2.gz RHMKJIZYKBBTRZ-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377576 925474868 /nfs/dbraw/zinc/47/48/68/925474868.db2.gz YINDJVCIVSMYPD-KGLIPLIRSA-N 1 1 312.370 -2.059 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377576 925474877 /nfs/dbraw/zinc/47/48/77/925474877.db2.gz YINDJVCIVSMYPD-KGLIPLIRSA-N 1 1 312.370 -2.059 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407375462 925475286 /nfs/dbraw/zinc/47/52/86/925475286.db2.gz SABPWQSQXWEPAW-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001407375462 925475290 /nfs/dbraw/zinc/47/52/90/925475290.db2.gz SABPWQSQXWEPAW-CQSZACIVSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)COC)C1 ZINC001407375240 925475394 /nfs/dbraw/zinc/47/53/94/925475394.db2.gz UPBMYOYPFKPDOA-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)COC)C1 ZINC001407375240 925475397 /nfs/dbraw/zinc/47/53/97/925475397.db2.gz UPBMYOYPFKPDOA-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001407384166 925476725 /nfs/dbraw/zinc/47/67/25/925476725.db2.gz OSUQQCJJEGNMJT-OAHLLOKOSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407380390 925476806 /nfs/dbraw/zinc/47/68/06/925476806.db2.gz DVKQIPNDJUBJNO-XHDPSFHLSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407380390 925476809 /nfs/dbraw/zinc/47/68/09/925476809.db2.gz DVKQIPNDJUBJNO-XHDPSFHLSA-N 1 1 323.397 -1.004 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407380596 925476845 /nfs/dbraw/zinc/47/68/45/925476845.db2.gz FFCLATKPWPEXKH-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407380596 925476848 /nfs/dbraw/zinc/47/68/48/925476848.db2.gz FFCLATKPWPEXKH-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CCOc1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)[nH]n1 ZINC001407388016 925477664 /nfs/dbraw/zinc/47/76/64/925477664.db2.gz JHJLWOPCTBZIBN-CYBMUJFWSA-N 1 1 311.342 -1.540 20 0 DAADMO CCOc1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)[nH]n1 ZINC001407388016 925477672 /nfs/dbraw/zinc/47/76/72/925477672.db2.gz JHJLWOPCTBZIBN-CYBMUJFWSA-N 1 1 311.342 -1.540 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2nccn2C1 ZINC001407388490 925478199 /nfs/dbraw/zinc/47/81/99/925478199.db2.gz VYQSWUNOOIMAPS-DOMZBBRYSA-N 1 1 308.382 -1.009 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)n2)C1 ZINC001407393158 925478442 /nfs/dbraw/zinc/47/84/42/925478442.db2.gz ZPXWDDQVJFKSDG-RISCZKNCSA-N 1 1 312.370 -1.406 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001407388241 925478690 /nfs/dbraw/zinc/47/86/90/925478690.db2.gz KSPWMSNGCZFTOG-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001407388241 925478694 /nfs/dbraw/zinc/47/86/94/925478694.db2.gz KSPWMSNGCZFTOG-AWEZNQCLSA-N 1 1 307.354 -1.519 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1CCc2nccn2C1 ZINC001407388491 925478838 /nfs/dbraw/zinc/47/88/38/925478838.db2.gz VYQSWUNOOIMAPS-IUODEOHRSA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407397256 925480531 /nfs/dbraw/zinc/48/05/31/925480531.db2.gz HJLJWJBBCCTPOE-MNOVXSKESA-N 1 1 314.386 -2.386 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407397256 925480538 /nfs/dbraw/zinc/48/05/38/925480538.db2.gz HJLJWJBBCCTPOE-MNOVXSKESA-N 1 1 314.386 -2.386 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001407400055 925481167 /nfs/dbraw/zinc/48/11/67/925481167.db2.gz TXRYHXLXXIGADU-NSHDSACASA-N 1 1 324.385 -1.893 20 0 DAADMO Cc1nnc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001407400055 925481168 /nfs/dbraw/zinc/48/11/68/925481168.db2.gz TXRYHXLXXIGADU-NSHDSACASA-N 1 1 324.385 -1.893 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001407404142 925483992 /nfs/dbraw/zinc/48/39/92/925483992.db2.gz FDGXNUBSCHKZST-UHFFFAOYSA-N 1 1 307.416 -1.111 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CC(=O)NC(C)C)C1 ZINC001407407314 925485360 /nfs/dbraw/zinc/48/53/60/925485360.db2.gz JISVPFUEUSQEDE-UHFFFAOYSA-N 1 1 323.397 -1.121 20 0 DAADMO COC[C@H](C)N1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001407429665 925491272 /nfs/dbraw/zinc/49/12/72/925491272.db2.gz JOKQZJFQPLXWPS-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)COC)CCO1 ZINC001407459929 925494939 /nfs/dbraw/zinc/49/49/39/925494939.db2.gz CGWAKOUUPFFVFJ-QWRGUYRKSA-N 1 1 323.415 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)COC)CCO1 ZINC001407459929 925494946 /nfs/dbraw/zinc/49/49/46/925494946.db2.gz CGWAKOUUPFFVFJ-QWRGUYRKSA-N 1 1 323.415 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)COC)CCO1 ZINC001407459901 925495269 /nfs/dbraw/zinc/49/52/69/925495269.db2.gz CGWAKOUUPFFVFJ-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)COC)CCO1 ZINC001407459901 925495276 /nfs/dbraw/zinc/49/52/76/925495276.db2.gz CGWAKOUUPFFVFJ-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001407468235 925496884 /nfs/dbraw/zinc/49/68/84/925496884.db2.gz UGBDLVZTWDQAKJ-LBPRGKRZSA-N 1 1 309.370 -1.132 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001407468385 925496899 /nfs/dbraw/zinc/49/68/99/925496899.db2.gz ATUGLPPILQAEFV-QWRGUYRKSA-N 1 1 323.397 -1.001 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001407468216 925497154 /nfs/dbraw/zinc/49/71/54/925497154.db2.gz UGBDLVZTWDQAKJ-GFCCVEGCSA-N 1 1 309.370 -1.132 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001407475066 925497674 /nfs/dbraw/zinc/49/76/74/925497674.db2.gz WBTFGJXUCRPODY-UHFFFAOYSA-N 1 1 323.397 -1.167 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN([C@H](C)C(=O)N(C)C)C1 ZINC001407470824 925497732 /nfs/dbraw/zinc/49/77/32/925497732.db2.gz PMJJOGVYDBLCIW-LLVKDONJSA-N 1 1 323.397 -1.169 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CC(=O)NCC3CC3)C2)C1 ZINC001407472791 925497762 /nfs/dbraw/zinc/49/77/62/925497762.db2.gz RJQDIESMPRQXRI-ZDUSSCGKSA-N 1 1 324.425 -1.373 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001407474654 925498212 /nfs/dbraw/zinc/49/82/12/925498212.db2.gz VKYCOWFLZJYDDG-UHFFFAOYSA-N 1 1 321.381 -1.413 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2nnnn2C)C1 ZINC001407476052 925498542 /nfs/dbraw/zinc/49/85/42/925498542.db2.gz LOVRPOPNWNHTTN-UHFFFAOYSA-N 1 1 311.390 -1.785 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001407543377 925503912 /nfs/dbraw/zinc/50/39/12/925503912.db2.gz GJDOBGUFRAGGAX-TXEJJXNPSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001407556570 925505304 /nfs/dbraw/zinc/50/53/04/925505304.db2.gz QULBHGUAUYXNQW-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001407565486 925505599 /nfs/dbraw/zinc/50/55/99/925505599.db2.gz CLGNHJRGTRWEKX-XHNCKOQMSA-N 1 1 321.341 -1.608 20 0 DAADMO CC(C)(O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001407557027 925505972 /nfs/dbraw/zinc/50/59/72/925505972.db2.gz MKSKADQGYMVFTF-AOOOYVTPSA-N 1 1 312.370 -1.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2C1 ZINC001407572931 925506175 /nfs/dbraw/zinc/50/61/75/925506175.db2.gz VBPMICWYBYRBDU-SDDRHHMPSA-N 1 1 319.427 -1.039 20 0 DAADMO C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1)NC(N)=O ZINC001407562275 925506404 /nfs/dbraw/zinc/50/64/04/925506404.db2.gz QOSXPMYBNHUSOK-XWLWVQCSSA-N 1 1 311.386 -1.303 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001407549403 925506685 /nfs/dbraw/zinc/50/66/85/925506685.db2.gz ILOARZNCWMZUJO-XHNCKOQMSA-N 1 1 321.341 -1.608 20 0 DAADMO Cc1nnc(CC(=O)N[C@@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)[nH]1 ZINC001407596198 925507614 /nfs/dbraw/zinc/50/76/14/925507614.db2.gz CNPGTYBSIGKURB-YGRLFVJLSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@@H+](C[C@@H](C)O)C2)n[nH]1 ZINC001407596198 925507618 /nfs/dbraw/zinc/50/76/18/925507618.db2.gz CNPGTYBSIGKURB-YGRLFVJLSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)n[nH]1 ZINC001407596198 925507625 /nfs/dbraw/zinc/50/76/25/925507625.db2.gz CNPGTYBSIGKURB-YGRLFVJLSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nnc(CC(=O)N[C@]2(CO)CCC[N@H+](C[C@H](C)O)C2)[nH]1 ZINC001407596187 925507966 /nfs/dbraw/zinc/50/79/66/925507966.db2.gz CNPGTYBSIGKURB-IINYFYTJSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@@H+](C[C@H](C)O)C2)n[nH]1 ZINC001407596187 925507979 /nfs/dbraw/zinc/50/79/79/925507979.db2.gz CNPGTYBSIGKURB-IINYFYTJSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@H+](C[C@H](C)O)C2)n[nH]1 ZINC001407596187 925507986 /nfs/dbraw/zinc/50/79/86/925507986.db2.gz CNPGTYBSIGKURB-IINYFYTJSA-N 1 1 311.386 -1.020 20 0 DAADMO CCC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407610148 925509947 /nfs/dbraw/zinc/50/99/47/925509947.db2.gz BMPVXTWFSDYXQO-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407617084 925510246 /nfs/dbraw/zinc/51/02/46/925510246.db2.gz JRWGHTUBLPIXHY-ZWNOBZJWSA-N 1 1 300.359 -1.743 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCCN(CC(N)=O)C1 ZINC001407631008 925511565 /nfs/dbraw/zinc/51/15/65/925511565.db2.gz RIXYREYKZYJQPS-AWEZNQCLSA-N 1 1 300.403 -1.243 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001407630921 925512164 /nfs/dbraw/zinc/51/21/64/925512164.db2.gz INSFWZRUOXZEFA-CMPLNLGQSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629654 925512556 /nfs/dbraw/zinc/51/25/56/925512556.db2.gz ABNHIPOCDBIJCC-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629654 925512562 /nfs/dbraw/zinc/51/25/62/925512562.db2.gz ABNHIPOCDBIJCC-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001407622736 925512771 /nfs/dbraw/zinc/51/27/71/925512771.db2.gz DMPFRFGRXLFHIQ-OAHLLOKOSA-N 1 1 324.381 -1.431 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001407647366 925513865 /nfs/dbraw/zinc/51/38/65/925513865.db2.gz JJLRHHTWNBDGOP-FIQHERPVSA-N 1 1 323.397 -1.146 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001407648704 925514708 /nfs/dbraw/zinc/51/47/08/925514708.db2.gz HVLIPTLWARMRRT-OCCSQVGLSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)n(C)c1=O ZINC001407644072 925515363 /nfs/dbraw/zinc/51/53/63/925515363.db2.gz SXZCUJRNRDQBGT-CQSZACIVSA-N 1 1 312.370 -1.727 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CC[NH2+][C@@H](C)c1nnnn1C ZINC001407666169 925515813 /nfs/dbraw/zinc/51/58/13/925515813.db2.gz SOCZTTILOAMFQK-VIFPVBQESA-N 1 1 323.361 -1.578 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001407667717 925516926 /nfs/dbraw/zinc/51/69/26/925516926.db2.gz KFUAZIHTVYCJFB-UPJWGTAASA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001407752782 925523333 /nfs/dbraw/zinc/52/33/33/925523333.db2.gz IWJRWZNAICTXSO-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CCC1 ZINC001407793188 925526787 /nfs/dbraw/zinc/52/67/87/925526787.db2.gz QVAUZMGSXYQVFW-NXEZZACHSA-N 1 1 321.385 -1.150 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001407840193 925529778 /nfs/dbraw/zinc/52/97/78/925529778.db2.gz OBULXKMCHDYGMN-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001407840035 925529955 /nfs/dbraw/zinc/52/99/55/925529955.db2.gz UAEWSBUWEAZKDK-XYPYZODXSA-N 1 1 322.369 -1.116 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407841720 925530034 /nfs/dbraw/zinc/53/00/34/925530034.db2.gz VYJZNBHYHMETSU-JOYOIKCWSA-N 1 1 324.385 -1.045 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001407853014 925530094 /nfs/dbraw/zinc/53/00/94/925530094.db2.gz MZOBKCLMJYXVPI-QWRGUYRKSA-N 1 1 313.358 -1.449 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001407853011 925530702 /nfs/dbraw/zinc/53/07/02/925530702.db2.gz MZOBKCLMJYXVPI-MNOVXSKESA-N 1 1 313.358 -1.449 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001407840192 925530803 /nfs/dbraw/zinc/53/08/03/925530803.db2.gz OBULXKMCHDYGMN-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CN(CCCN(C)C(=O)CC[NH+](C)C)CC(=O)NC(N)=O ZINC001407923314 925535300 /nfs/dbraw/zinc/53/53/00/925535300.db2.gz HTEKHKDZGRHDQR-UHFFFAOYSA-N 1 1 301.391 -1.087 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001407928325 925535634 /nfs/dbraw/zinc/53/56/34/925535634.db2.gz VBBCBXOTWJGFQD-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001407912099 925535730 /nfs/dbraw/zinc/53/57/30/925535730.db2.gz ADDGFRVXBSBAHH-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCNC(N)=O)O2 ZINC001407960851 925536709 /nfs/dbraw/zinc/53/67/09/925536709.db2.gz BIESHHILQKPYLR-WDEREUQCSA-N 1 1 314.386 -1.225 20 0 DAADMO C[NH+](C)CCCC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001408049326 925543130 /nfs/dbraw/zinc/54/31/30/925543130.db2.gz NVZREPDEJUSYGA-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001408092973 925546644 /nfs/dbraw/zinc/54/66/44/925546644.db2.gz CVHFIUNGHKGRSR-DTWKUNHWSA-N 1 1 310.362 -1.795 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408138010 925549478 /nfs/dbraw/zinc/54/94/78/925549478.db2.gz MHPKWOIGTXXPBH-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408138010 925549485 /nfs/dbraw/zinc/54/94/85/925549485.db2.gz MHPKWOIGTXXPBH-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)C1 ZINC001408136324 925549892 /nfs/dbraw/zinc/54/98/92/925549892.db2.gz FRHMLQQCZUXQSA-LBPRGKRZSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408138015 925550143 /nfs/dbraw/zinc/55/01/43/925550143.db2.gz MHPKWOIGTXXPBH-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408138015 925550150 /nfs/dbraw/zinc/55/01/50/925550150.db2.gz MHPKWOIGTXXPBH-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001408147571 925550853 /nfs/dbraw/zinc/55/08/53/925550853.db2.gz YQMFLNLRUBAGCF-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C(C)(C)C1 ZINC001408147571 925550861 /nfs/dbraw/zinc/55/08/61/925550861.db2.gz YQMFLNLRUBAGCF-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001408151626 925550979 /nfs/dbraw/zinc/55/09/79/925550979.db2.gz DCEPYWYATBFTEF-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cncn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001408163287 925552456 /nfs/dbraw/zinc/55/24/56/925552456.db2.gz AFJZTQMHXCIWJD-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cncn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001408163287 925552463 /nfs/dbraw/zinc/55/24/63/925552463.db2.gz AFJZTQMHXCIWJD-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)cn1 ZINC001408186864 925554349 /nfs/dbraw/zinc/55/43/49/925554349.db2.gz XMESXRFPDGASMS-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186193 925554381 /nfs/dbraw/zinc/55/43/81/925554381.db2.gz WTQYRKKBHANHNH-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)Cc2nc[nH]n2)C1 ZINC001408186193 925554389 /nfs/dbraw/zinc/55/43/89/925554389.db2.gz WTQYRKKBHANHNH-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)c2cnn[nH]2)CC1 ZINC001408275788 925561286 /nfs/dbraw/zinc/56/12/86/925561286.db2.gz PTNBIURVSPTZQX-JTQLQIEISA-N 1 1 313.358 -1.631 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001408266520 925561685 /nfs/dbraw/zinc/56/16/85/925561685.db2.gz JASOWQFTYWWOGF-SNVBAGLBSA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)N(C)C ZINC001408339514 925564862 /nfs/dbraw/zinc/56/48/62/925564862.db2.gz HZOYNTFZFGBRQY-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)N(C)C ZINC001408339514 925564867 /nfs/dbraw/zinc/56/48/67/925564867.db2.gz HZOYNTFZFGBRQY-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001408334420 925564888 /nfs/dbraw/zinc/56/48/88/925564888.db2.gz IUFWSWLNBKYZEJ-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001408334420 925564895 /nfs/dbraw/zinc/56/48/95/925564895.db2.gz IUFWSWLNBKYZEJ-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001408321598 925564975 /nfs/dbraw/zinc/56/49/75/925564975.db2.gz CRLPARQOUCLGPP-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324674 925565303 /nfs/dbraw/zinc/56/53/03/925565303.db2.gz DAKQOSZQBBKWSC-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324674 925565308 /nfs/dbraw/zinc/56/53/08/925565308.db2.gz DAKQOSZQBBKWSC-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001408356240 925566978 /nfs/dbraw/zinc/56/69/78/925566978.db2.gz NIEUJZVGYHQBJF-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408438607 925569292 /nfs/dbraw/zinc/56/92/92/925569292.db2.gz KEMQNLCNUUMRRW-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408438607 925569298 /nfs/dbraw/zinc/56/92/98/925569298.db2.gz KEMQNLCNUUMRRW-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)CNC(C)=O)C1 ZINC001408513041 925573139 /nfs/dbraw/zinc/57/31/39/925573139.db2.gz JOTYSUZYLDVXIS-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)CNC(C)=O)C1 ZINC001408513041 925573142 /nfs/dbraw/zinc/57/31/42/925573142.db2.gz JOTYSUZYLDVXIS-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1COCCO1 ZINC001408542275 925575930 /nfs/dbraw/zinc/57/59/30/925575930.db2.gz KTEWNSTXUHGABT-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1COCCO1 ZINC001408542275 925575937 /nfs/dbraw/zinc/57/59/37/925575937.db2.gz KTEWNSTXUHGABT-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)c(=O)cn1 ZINC001408574700 925579365 /nfs/dbraw/zinc/57/93/65/925579365.db2.gz YENKGLDWRLJMIF-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1C ZINC001408582923 925581152 /nfs/dbraw/zinc/58/11/52/925581152.db2.gz LMYZPDXDNXOGQY-MXWKQRLJSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)[C@H]1CNC(=O)N1 ZINC001408600600 925582455 /nfs/dbraw/zinc/58/24/55/925582455.db2.gz JIRLHOYXVMZBSV-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001408694058 925590724 /nfs/dbraw/zinc/59/07/24/925590724.db2.gz XYHGMRHALRYFDX-VWYCJHECSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001408694058 925590729 /nfs/dbraw/zinc/59/07/29/925590729.db2.gz XYHGMRHALRYFDX-VWYCJHECSA-N 1 1 312.370 -1.987 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001408726072 925591947 /nfs/dbraw/zinc/59/19/47/925591947.db2.gz VUZFYBBOKUAAEG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(CCNC(=O)Cn1ncnn1)C(=O)C[N@@H+](C)C(C)C ZINC001408747648 925594601 /nfs/dbraw/zinc/59/46/01/925594601.db2.gz WHIBBYDWCAIIOA-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CCCN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408855261 925598035 /nfs/dbraw/zinc/59/80/35/925598035.db2.gz RVQWCOGVFPLAHN-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)Cn1cnnn1)C1CC1 ZINC001408904851 925598924 /nfs/dbraw/zinc/59/89/24/925598924.db2.gz OIMZYCGLBQAYAV-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CCNC(N)=O)C2)CC[N@H+]1C ZINC001409057129 925608192 /nfs/dbraw/zinc/60/81/92/925608192.db2.gz HTUDBUHOUYSLKX-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001409062429 925609181 /nfs/dbraw/zinc/60/91/81/925609181.db2.gz OWBHBYJMKCGPIW-UHFFFAOYSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC001409087718 925612091 /nfs/dbraw/zinc/61/20/91/925612091.db2.gz KVZMUJCETMDGBY-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001409127573 925616849 /nfs/dbraw/zinc/61/68/49/925616849.db2.gz KJKMHPQMSZOOTK-LLVKDONJSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001409127574 925617014 /nfs/dbraw/zinc/61/70/14/925617014.db2.gz KJKMHPQMSZOOTK-NSHDSACASA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)CCNC(N)=O)C2)C1 ZINC001409139942 925618411 /nfs/dbraw/zinc/61/84/11/925618411.db2.gz DGVYPCUKQYUWRC-LLVKDONJSA-N 1 1 311.386 -1.429 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001409143140 925621268 /nfs/dbraw/zinc/62/12/68/925621268.db2.gz IWGUCOQDMQLIGZ-NEPJUHHUSA-N 1 1 319.365 -1.112 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001409182015 925623702 /nfs/dbraw/zinc/62/37/02/925623702.db2.gz JFXVCEDIGLQQRZ-PWSUYJOCSA-N 1 1 323.397 -1.416 20 0 DAADMO C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409284021 925627611 /nfs/dbraw/zinc/62/76/11/925627611.db2.gz FPUFMBCCNBQWHA-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001409272138 925627711 /nfs/dbraw/zinc/62/77/11/925627711.db2.gz FUSPUOOEENXWFK-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001409272138 925627713 /nfs/dbraw/zinc/62/77/13/925627713.db2.gz FUSPUOOEENXWFK-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001409286787 925627830 /nfs/dbraw/zinc/62/78/30/925627830.db2.gz MEBRYJMZZBBYBB-XNWIYYODSA-N 1 1 309.374 -1.294 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001409286780 925627910 /nfs/dbraw/zinc/62/79/10/925627910.db2.gz MEBRYJMZZBBYBB-IDKOKCKLSA-N 1 1 309.374 -1.294 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001409267529 925627939 /nfs/dbraw/zinc/62/79/39/925627939.db2.gz HRWITWDBKUFVPJ-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001409267529 925627947 /nfs/dbraw/zinc/62/79/47/925627947.db2.gz HRWITWDBKUFVPJ-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001409272111 925628269 /nfs/dbraw/zinc/62/82/69/925628269.db2.gz FUSPUOOEENXWFK-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001409272111 925628275 /nfs/dbraw/zinc/62/82/75/925628275.db2.gz FUSPUOOEENXWFK-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409315532 925630151 /nfs/dbraw/zinc/63/01/51/925630151.db2.gz NPSMLTIZNFBALU-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)c1N)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409336280 925630786 /nfs/dbraw/zinc/63/07/86/925630786.db2.gz ZDAWXDMMYPXMSQ-JGVFFNPUSA-N 1 1 307.362 -1.178 20 0 DAADMO C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409352946 925631539 /nfs/dbraw/zinc/63/15/39/925631539.db2.gz JJVOKGCAXIXNGR-UWVGGRQHSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@H](NC(=O)c1cnn(C)c1N)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409336286 925631830 /nfs/dbraw/zinc/63/18/30/925631830.db2.gz ZDAWXDMMYPXMSQ-YUMQZZPRSA-N 1 1 307.362 -1.178 20 0 DAADMO CC[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001409388573 925632726 /nfs/dbraw/zinc/63/27/26/925632726.db2.gz MBONQZOLCOQRES-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)nn1 ZINC001409553697 925635242 /nfs/dbraw/zinc/63/52/42/925635242.db2.gz IJDOSAKOKPCKCG-CMPLNLGQSA-N 1 1 324.385 -1.137 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)[N@H+](C)CCNS(C)(=O)=O ZINC001409531159 925635581 /nfs/dbraw/zinc/63/55/81/925635581.db2.gz SXIYGNIRPIOVAP-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409531159 925635587 /nfs/dbraw/zinc/63/55/87/925635587.db2.gz SXIYGNIRPIOVAP-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)[N@@H+](C)CCO ZINC001409555560 925635867 /nfs/dbraw/zinc/63/58/67/925635867.db2.gz MEDBBEZRZTYOBW-JTQLQIEISA-N 1 1 310.420 -1.847 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001409563177 925635957 /nfs/dbraw/zinc/63/59/57/925635957.db2.gz FKRSSDULQWPQAL-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001409564634 925636136 /nfs/dbraw/zinc/63/61/36/925636136.db2.gz CYCBYYKFYBGJLM-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409564634 925636142 /nfs/dbraw/zinc/63/61/42/925636142.db2.gz CYCBYYKFYBGJLM-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001409578108 925637990 /nfs/dbraw/zinc/63/79/90/925637990.db2.gz JDQXFUACOKLTSN-UWVGGRQHSA-N 1 1 312.374 -1.718 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001409636099 925639405 /nfs/dbraw/zinc/63/94/05/925639405.db2.gz FWMNBEOKFBPUIX-WDEREUQCSA-N 1 1 312.370 -1.162 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001409609397 925639547 /nfs/dbraw/zinc/63/95/47/925639547.db2.gz CUYYWBQEXFIGOP-MNOVXSKESA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001409609397 925639553 /nfs/dbraw/zinc/63/95/53/925639553.db2.gz CUYYWBQEXFIGOP-MNOVXSKESA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001409609395 925640359 /nfs/dbraw/zinc/64/03/59/925640359.db2.gz CUYYWBQEXFIGOP-GHMZBOCLSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001409609395 925640365 /nfs/dbraw/zinc/64/03/65/925640365.db2.gz CUYYWBQEXFIGOP-GHMZBOCLSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ncccn1 ZINC001409619421 925640496 /nfs/dbraw/zinc/64/04/96/925640496.db2.gz ORXXOCCUJBDGOR-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ncccn1 ZINC001409619421 925640500 /nfs/dbraw/zinc/64/05/00/925640500.db2.gz ORXXOCCUJBDGOR-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001409623648 925640678 /nfs/dbraw/zinc/64/06/78/925640678.db2.gz GOHLDSDRTYCSAS-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001409623648 925640685 /nfs/dbraw/zinc/64/06/85/925640685.db2.gz GOHLDSDRTYCSAS-UWVGGRQHSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001409630804 925640843 /nfs/dbraw/zinc/64/08/43/925640843.db2.gz QKCVDXZTGFGHIN-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001409630804 925640847 /nfs/dbraw/zinc/64/08/47/925640847.db2.gz QKCVDXZTGFGHIN-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001409609401 925641181 /nfs/dbraw/zinc/64/11/81/925641181.db2.gz CUYYWBQEXFIGOP-WDEREUQCSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001409609401 925641189 /nfs/dbraw/zinc/64/11/89/925641189.db2.gz CUYYWBQEXFIGOP-WDEREUQCSA-N 1 1 323.401 -1.192 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)CC(=O)NC(N)=O ZINC001409676655 925641671 /nfs/dbraw/zinc/64/16/71/925641671.db2.gz IAHHELDJICRGIF-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)CC(=O)NC(N)=O ZINC001409676647 925642129 /nfs/dbraw/zinc/64/21/29/925642129.db2.gz IAHHELDJICRGIF-SECBINFHSA-N 1 1 310.358 -1.177 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001409655141 925642434 /nfs/dbraw/zinc/64/24/34/925642434.db2.gz NSWKDRBLCCUTFF-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001409655141 925642435 /nfs/dbraw/zinc/64/24/35/925642435.db2.gz NSWKDRBLCCUTFF-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409689025 925643602 /nfs/dbraw/zinc/64/36/02/925643602.db2.gz OPHFEJJBYDDSOJ-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409688988 925644295 /nfs/dbraw/zinc/64/42/95/925644295.db2.gz OPHFEJJBYDDSOJ-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001409684945 925644558 /nfs/dbraw/zinc/64/45/58/925644558.db2.gz SCJKLGPPILCLHI-QMMMGPOBSA-N 1 1 308.342 -1.628 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001409684945 925644566 /nfs/dbraw/zinc/64/45/66/925644566.db2.gz SCJKLGPPILCLHI-QMMMGPOBSA-N 1 1 308.342 -1.628 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001409684936 925644655 /nfs/dbraw/zinc/64/46/55/925644655.db2.gz SCJKLGPPILCLHI-MRVPVSSYSA-N 1 1 308.342 -1.628 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001409684936 925644662 /nfs/dbraw/zinc/64/46/62/925644662.db2.gz SCJKLGPPILCLHI-MRVPVSSYSA-N 1 1 308.342 -1.628 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409718742 925647309 /nfs/dbraw/zinc/64/73/09/925647309.db2.gz JRMCCWCUUNODGO-UWVGGRQHSA-N 1 1 309.374 -1.356 20 0 DAADMO Cn1nncc1CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001409737061 925649328 /nfs/dbraw/zinc/64/93/28/925649328.db2.gz KCPVWUOBFKXNOU-CYBMUJFWSA-N 1 1 322.413 -1.038 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001409746275 925651086 /nfs/dbraw/zinc/65/10/86/925651086.db2.gz DITBGIPCZXJKNG-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)COC)C1 ZINC001409832263 925652323 /nfs/dbraw/zinc/65/23/23/925652323.db2.gz FCJHHEXELNACEN-DTWKUNHWSA-N 1 1 300.359 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(C)C)C1 ZINC001409910066 925654759 /nfs/dbraw/zinc/65/47/59/925654759.db2.gz JAAVNOXTQQELHN-JTQLQIEISA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001409914888 925655411 /nfs/dbraw/zinc/65/54/11/925655411.db2.gz KZAGMKVAGLIDEH-GXSJLCMTSA-N 1 1 311.386 -1.417 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)NC)C1 ZINC001409945684 925658675 /nfs/dbraw/zinc/65/86/75/925658675.db2.gz ZYQOKPBMPFYWFJ-JTQLQIEISA-N 1 1 313.402 -1.170 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C2C[NH+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001409977678 925660242 /nfs/dbraw/zinc/66/02/42/925660242.db2.gz LQZBQQPLQPSZEX-RKDXNWHRSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)C(=O)Cn1ncnn1 ZINC001409999095 925660566 /nfs/dbraw/zinc/66/05/66/925660566.db2.gz RHCHGEZPNQYURE-UHFFFAOYSA-N 1 1 320.357 -1.205 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001409996715 925660745 /nfs/dbraw/zinc/66/07/45/925660745.db2.gz ZSBCGKZFVAUMRD-NSHDSACASA-N 1 1 313.402 -1.075 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410036588 925662006 /nfs/dbraw/zinc/66/20/06/925662006.db2.gz HLOSVYWGIITCGG-ADEWGFFLSA-N 1 1 314.386 -1.944 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410036623 925662392 /nfs/dbraw/zinc/66/23/92/925662392.db2.gz HLOSVYWGIITCGG-YUSALJHKSA-N 1 1 314.386 -1.944 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNC(=O)C(F)F ZINC001410045431 925666280 /nfs/dbraw/zinc/66/62/80/925666280.db2.gz DUXYOEWYNVPTLL-SECBINFHSA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001410069526 925670061 /nfs/dbraw/zinc/67/00/61/925670061.db2.gz CORJVEGTCBZCOL-ZYHUDNBSSA-N 1 1 310.354 -1.028 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001410069510 925670088 /nfs/dbraw/zinc/67/00/88/925670088.db2.gz CORJVEGTCBZCOL-CMPLNLGQSA-N 1 1 310.354 -1.028 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001410069520 925670481 /nfs/dbraw/zinc/67/04/81/925670481.db2.gz CORJVEGTCBZCOL-PWSUYJOCSA-N 1 1 310.354 -1.028 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069238 925671137 /nfs/dbraw/zinc/67/11/37/925671137.db2.gz DHANTYUXSWYTKK-MNOVXSKESA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccn2)C1 ZINC001410069238 925671140 /nfs/dbraw/zinc/67/11/40/925671140.db2.gz DHANTYUXSWYTKK-MNOVXSKESA-N 1 1 323.353 -1.986 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001410073406 925672200 /nfs/dbraw/zinc/67/22/00/925672200.db2.gz WCVXHGAFZHBKFU-DGCLKSJQSA-N 1 1 323.397 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)NC)[C@@H]2C1 ZINC001410071246 925672696 /nfs/dbraw/zinc/67/26/96/925672696.db2.gz MSDNJMGJCAPNGA-CHWFTXMASA-N 1 1 311.386 -1.527 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075271 925673717 /nfs/dbraw/zinc/67/37/17/925673717.db2.gz CUAFNVITBCFSEB-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410075169 925673797 /nfs/dbraw/zinc/67/37/97/925673797.db2.gz CUAFNVITBCFSEB-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001410083179 925674833 /nfs/dbraw/zinc/67/48/33/925674833.db2.gz IQGJBNAHGWWBBY-GXSJLCMTSA-N 1 1 310.358 -1.884 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001410080512 925675136 /nfs/dbraw/zinc/67/51/36/925675136.db2.gz OEHYATVRWWZCRJ-MMWGEVLESA-N 1 1 305.342 -2.144 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001410087367 925676889 /nfs/dbraw/zinc/67/68/89/925676889.db2.gz RJAABWIVEVVXDU-RTCCRHLQSA-N 1 1 322.369 -1.683 20 0 DAADMO CCOCC(=O)NC[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001410085386 925677081 /nfs/dbraw/zinc/67/70/81/925677081.db2.gz LVDUXOVDKSHBFG-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1cncnc1 ZINC001410086996 925677270 /nfs/dbraw/zinc/67/72/70/925677270.db2.gz LLXXHYRZWXYEDE-CHWSQXEVSA-N 1 1 321.381 -1.293 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001410090231 925678381 /nfs/dbraw/zinc/67/83/81/925678381.db2.gz VBNYAQQTFRGGKY-NSHDSACASA-N 1 1 315.370 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3COC(=O)C3)[C@@H]2C1 ZINC001410095817 925680288 /nfs/dbraw/zinc/68/02/88/925680288.db2.gz YGEABDGPSAMQSP-KKOKHZNYSA-N 1 1 309.366 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001410098529 925680494 /nfs/dbraw/zinc/68/04/94/925680494.db2.gz VYPZJDQDTOZTBX-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1cnsn1 ZINC001410102002 925681131 /nfs/dbraw/zinc/68/11/31/925681131.db2.gz WCWROELSQHDFNW-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC001410102305 925681645 /nfs/dbraw/zinc/68/16/45/925681645.db2.gz GHUXQYFOLALKFF-RTCCRHLQSA-N 1 1 304.416 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001410104277 925682645 /nfs/dbraw/zinc/68/26/45/925682645.db2.gz XCCWHFBGXGFWCR-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnnn2C)C1 ZINC001410109131 925684178 /nfs/dbraw/zinc/68/41/78/925684178.db2.gz DMIYNMSRKSYBMH-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001410118072 925686235 /nfs/dbraw/zinc/68/62/35/925686235.db2.gz FMNDFZXWCPLKSY-GXSJLCMTSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001410118633 925686392 /nfs/dbraw/zinc/68/63/92/925686392.db2.gz OLVFUSGIXMILLS-UWVGGRQHSA-N 1 1 316.358 -1.972 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001410116990 925686704 /nfs/dbraw/zinc/68/67/04/925686704.db2.gz QJPKAWNBBVAPPG-LPWJVIDDSA-N 1 1 322.409 -1.057 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001410116915 925686962 /nfs/dbraw/zinc/68/69/62/925686962.db2.gz BZFGBFZWEDFOOA-NMKXLXIOSA-N 1 1 313.398 -1.188 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001410117208 925687066 /nfs/dbraw/zinc/68/70/66/925687066.db2.gz JROPFUVUEBULAE-KKOKHZNYSA-N 1 1 319.427 -1.447 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410133128 925692053 /nfs/dbraw/zinc/69/20/53/925692053.db2.gz PIDCPAJFHAKRFY-UWVGGRQHSA-N 1 1 315.374 -2.399 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001410146432 925693554 /nfs/dbraw/zinc/69/35/54/925693554.db2.gz IBLZZCDNUCXXBO-WDEREUQCSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410150015 925696830 /nfs/dbraw/zinc/69/68/30/925696830.db2.gz YDPDCCDYUSLWIG-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001410155442 925697424 /nfs/dbraw/zinc/69/74/24/925697424.db2.gz XBESKPXCUSRQTK-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001410164989 925698188 /nfs/dbraw/zinc/69/81/88/925698188.db2.gz UMIZJARGNKPCOM-RTCCRHLQSA-N 1 1 305.400 -1.788 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410207839 925702401 /nfs/dbraw/zinc/70/24/01/925702401.db2.gz JAYUFGZZPBFCAR-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)NC(=O)CC[NH+]1CCOCC1 ZINC001410242551 925704199 /nfs/dbraw/zinc/70/41/99/925704199.db2.gz VXZRLCQFHWQXLM-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001410227037 925704655 /nfs/dbraw/zinc/70/46/55/925704655.db2.gz ZFVQZRQRXVXHGN-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ncnn1 ZINC001410227037 925704659 /nfs/dbraw/zinc/70/46/59/925704659.db2.gz ZFVQZRQRXVXHGN-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001410260319 925706209 /nfs/dbraw/zinc/70/62/09/925706209.db2.gz PPUJGWRDPKPYGH-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001410311502 925709468 /nfs/dbraw/zinc/70/94/68/925709468.db2.gz LOQGDLYJSKHRNZ-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410330678 925710456 /nfs/dbraw/zinc/71/04/56/925710456.db2.gz GECIYGZHCJTWQS-GXSJLCMTSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410330678 925710465 /nfs/dbraw/zinc/71/04/65/925710465.db2.gz GECIYGZHCJTWQS-GXSJLCMTSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C ZINC001410390409 925715372 /nfs/dbraw/zinc/71/53/72/925715372.db2.gz WLFOFZJTYWEVNT-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001410450478 925719826 /nfs/dbraw/zinc/71/98/26/925719826.db2.gz VVTZXRQFQQNXSZ-VHSXEESVSA-N 1 1 309.374 -1.225 20 0 DAADMO CCOCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410566907 925728871 /nfs/dbraw/zinc/72/88/71/925728871.db2.gz WTXHAXJGWNEEPU-SNVBAGLBSA-N 1 1 316.358 -2.952 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410569598 925729399 /nfs/dbraw/zinc/72/93/99/925729399.db2.gz ISAYTEHZBDZSMO-GWCFXTLKSA-N 1 1 323.397 -1.079 20 0 DAADMO Cc1cc(CN[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001410575542 925730562 /nfs/dbraw/zinc/73/05/62/925730562.db2.gz DOIAFPPTMGUAKU-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cc(CN[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001410575542 925730567 /nfs/dbraw/zinc/73/05/67/925730567.db2.gz DOIAFPPTMGUAKU-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410572387 925731325 /nfs/dbraw/zinc/73/13/25/925731325.db2.gz COEFUSFFURUWBE-QMMMGPOBSA-N 1 1 316.401 -2.858 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001410574466 925731099 /nfs/dbraw/zinc/73/10/99/925731099.db2.gz DPYVWAKIZJRQHC-ZJUUUORDSA-N 1 1 311.342 -1.040 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001410574448 925731428 /nfs/dbraw/zinc/73/14/28/925731428.db2.gz DPYVWAKIZJRQHC-UWVGGRQHSA-N 1 1 311.342 -1.040 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001410578567 925731466 /nfs/dbraw/zinc/73/14/66/925731466.db2.gz ITNHVCDMSFOQDO-SNVBAGLBSA-N 1 1 319.383 -1.097 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001410597929 925736881 /nfs/dbraw/zinc/73/68/81/925736881.db2.gz XMDKCFHOJKTFAB-WDEREUQCSA-N 1 1 323.353 -1.670 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nccnc2N)n1 ZINC001410593753 925737418 /nfs/dbraw/zinc/73/74/18/925737418.db2.gz RWVZZNMEWMCTNT-SNVBAGLBSA-N 1 1 305.342 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001410605906 925738178 /nfs/dbraw/zinc/73/81/78/925738178.db2.gz JRHDIHUTIRDDKE-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001410605915 925738325 /nfs/dbraw/zinc/73/83/25/925738325.db2.gz JRHDIHUTIRDDKE-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001410619690 925741035 /nfs/dbraw/zinc/74/10/35/925741035.db2.gz AQXHYAJXCFUCMM-NSHDSACASA-N 1 1 317.367 -1.406 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001410624703 925741917 /nfs/dbraw/zinc/74/19/17/925741917.db2.gz PBOSFLZNZBRRFK-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)C)n[nH]1 ZINC001410624891 925743093 /nfs/dbraw/zinc/74/30/93/925743093.db2.gz OLWWCWFVYOGXMA-JTQLQIEISA-N 1 1 312.374 -1.753 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001410637224 925744649 /nfs/dbraw/zinc/74/46/49/925744649.db2.gz MMCPPDVOFAPBQD-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CN(CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)C(=O)C1CC1 ZINC001410646528 925746406 /nfs/dbraw/zinc/74/64/06/925746406.db2.gz KMYBEDKZVNXLBT-CYBMUJFWSA-N 1 1 323.397 -1.145 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001410660597 925751685 /nfs/dbraw/zinc/75/16/85/925751685.db2.gz ZXZOAAWURCIAOP-SNVBAGLBSA-N 1 1 310.358 -1.719 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001410662693 925752023 /nfs/dbraw/zinc/75/20/23/925752023.db2.gz IICWBRVOCHLZDB-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001410670347 925753536 /nfs/dbraw/zinc/75/35/36/925753536.db2.gz PIZWGRNGGVJZBM-GHMZBOCLSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001410670422 925753885 /nfs/dbraw/zinc/75/38/85/925753885.db2.gz PIZWGRNGGVJZBM-QWRGUYRKSA-N 1 1 309.370 -1.487 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)N[C@H]2CCCNC2=O)CCC1 ZINC001410665087 925754071 /nfs/dbraw/zinc/75/40/71/925754071.db2.gz WTWHRZOJCIYHSZ-NEPJUHHUSA-N 1 1 312.414 -1.184 20 0 DAADMO CC[C@H](N[C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410680314 925754988 /nfs/dbraw/zinc/75/49/88/925754988.db2.gz BQUZWEVWLXGDOA-RYUDHWBXSA-N 1 1 312.414 -1.055 20 0 DAADMO CC[C@H](N[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410680303 925755774 /nfs/dbraw/zinc/75/57/74/925755774.db2.gz BQUZWEVWLXGDOA-NEPJUHHUSA-N 1 1 312.414 -1.055 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21)c1cnn[nH]1 ZINC001410683926 925758102 /nfs/dbraw/zinc/75/81/02/925758102.db2.gz FXHAWISMYZSQMB-RKDXNWHRSA-N 1 1 306.330 -1.736 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1nncn1C ZINC001410694178 925759127 /nfs/dbraw/zinc/75/91/27/925759127.db2.gz IVRSCDNQCDLRDK-LLVKDONJSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1nncn1C ZINC001410694182 925760146 /nfs/dbraw/zinc/76/01/46/925760146.db2.gz IVRSCDNQCDLRDK-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001410699553 925760997 /nfs/dbraw/zinc/76/09/97/925760997.db2.gz KMARNFBUZIRFMD-CYBMUJFWSA-N 1 1 311.386 -1.226 20 0 DAADMO CCn1ncc(CN[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001410709167 925763449 /nfs/dbraw/zinc/76/34/49/925763449.db2.gz RCRJMXTUGHHROF-CHWSQXEVSA-N 1 1 310.402 -1.041 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001410710397 925763527 /nfs/dbraw/zinc/76/35/27/925763527.db2.gz NCRJLSBNKBCBIO-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001410712739 925763669 /nfs/dbraw/zinc/76/36/69/925763669.db2.gz OGZGZQOFEFRODF-VHSXEESVSA-N 1 1 316.383 -1.171 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410708583 925763973 /nfs/dbraw/zinc/76/39/73/925763973.db2.gz QBLDRPUBBGCEGP-JQWIXIFHSA-N 1 1 323.397 -1.093 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001410714994 925764802 /nfs/dbraw/zinc/76/48/02/925764802.db2.gz AWISZFLJRSUEKG-WDEREUQCSA-N 1 1 308.342 -1.967 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001410728735 925768234 /nfs/dbraw/zinc/76/82/34/925768234.db2.gz KFDGSMWJOYBMQH-BDAKNGLRSA-N 1 1 303.363 -2.412 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001410740948 925771136 /nfs/dbraw/zinc/77/11/36/925771136.db2.gz YEZWTYDUDYWZGM-ZDUSSCGKSA-N 1 1 309.370 -1.170 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754561 925771349 /nfs/dbraw/zinc/77/13/49/925771349.db2.gz OTMHBJOZYQYNLC-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCC(=O)N2CCC2)C1 ZINC001410754561 925771355 /nfs/dbraw/zinc/77/13/55/925771355.db2.gz OTMHBJOZYQYNLC-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO CCn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)c1 ZINC001410748098 925771812 /nfs/dbraw/zinc/77/18/12/925771812.db2.gz FTHIRKKHSSDMLV-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cnn(C)n2)nn1 ZINC001410769611 925775603 /nfs/dbraw/zinc/77/56/03/925775603.db2.gz ILRUWALPDCZGGZ-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1cc(C)n(CC[NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)n1 ZINC001410765921 925775797 /nfs/dbraw/zinc/77/57/97/925775797.db2.gz IWJVVTTYVQMGBC-LBPRGKRZSA-N 1 1 321.385 -1.073 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001410771229 925776273 /nfs/dbraw/zinc/77/62/73/925776273.db2.gz LSSQQZXZQHVIKV-ZYHUDNBSSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001410770512 925776495 /nfs/dbraw/zinc/77/64/95/925776495.db2.gz OCERXZQYHNBXQH-QMMMGPOBSA-N 1 1 311.371 -1.226 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001410775829 925778055 /nfs/dbraw/zinc/77/80/55/925778055.db2.gz AJZZRDWDOVXIAY-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775829 925778061 /nfs/dbraw/zinc/77/80/61/925778061.db2.gz AJZZRDWDOVXIAY-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1nnnn1C ZINC001410778013 925779017 /nfs/dbraw/zinc/77/90/17/925779017.db2.gz BXDBJGOACBYZJE-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410783288 925779320 /nfs/dbraw/zinc/77/93/20/925779320.db2.gz JZKCRVQNZRPCKV-NSHDSACASA-N 1 1 321.385 -1.036 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001410786071 925781372 /nfs/dbraw/zinc/78/13/72/925781372.db2.gz AMKIRAIUISJCJS-RYUDHWBXSA-N 1 1 309.370 -1.252 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)n1 ZINC001410787391 925781596 /nfs/dbraw/zinc/78/15/96/925781596.db2.gz WUPOJFCRLORGGD-NSHDSACASA-N 1 1 321.341 -1.656 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)c2nnn(C)n2)CC1 ZINC001410787669 925781752 /nfs/dbraw/zinc/78/17/52/925781752.db2.gz VTJBLDQGXAMZAZ-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)Cn3cnnn3)CC2)C1 ZINC001410829051 925788120 /nfs/dbraw/zinc/78/81/20/925788120.db2.gz KPGLZHMAYAOTDH-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO CN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001410887996 925791719 /nfs/dbraw/zinc/79/17/19/925791719.db2.gz RZOGSKZVAXWZOI-LLVKDONJSA-N 1 1 323.397 -1.049 20 0 DAADMO CN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)Cn2cnnn2)C1 ZINC001410904725 925793476 /nfs/dbraw/zinc/79/34/76/925793476.db2.gz MRIVFURYURCQFG-UHFFFAOYSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001410895328 925793909 /nfs/dbraw/zinc/79/39/09/925793909.db2.gz JCFAZCHKPIYSRW-HFAKWTLXSA-N 1 1 323.397 -1.083 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1COCCO1 ZINC001410965220 925795918 /nfs/dbraw/zinc/79/59/18/925795918.db2.gz ASPFECYVIOZTOR-QWRGUYRKSA-N 1 1 313.358 -1.861 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2cncn2)[nH]1 ZINC001410969497 925797716 /nfs/dbraw/zinc/79/77/16/925797716.db2.gz CYPYULBGEGYISE-NSHDSACASA-N 1 1 322.373 -1.296 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)o1 ZINC001410982825 925798594 /nfs/dbraw/zinc/79/85/94/925798594.db2.gz MWALZJDWQXMFDN-SNVBAGLBSA-N 1 1 323.357 -1.167 20 0 DAADMO COCCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001410981866 925799179 /nfs/dbraw/zinc/79/91/79/925799179.db2.gz XXTUDTXYXXJOKY-ZJUUUORDSA-N 1 1 300.363 -1.284 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001410977790 925799473 /nfs/dbraw/zinc/79/94/73/925799473.db2.gz KCMDGXCFJBREJN-KWQFWETISA-N 1 1 312.374 -1.453 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001410980209 925799507 /nfs/dbraw/zinc/79/95/07/925799507.db2.gz LLHLLMLJGKIAPG-JQWIXIFHSA-N 1 1 322.373 -1.423 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001410979691 925799670 /nfs/dbraw/zinc/79/96/70/925799670.db2.gz JXVSWWWPXJKUNL-VIFPVBQESA-N 1 1 315.330 -1.357 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1)c1nnnn1C ZINC001410977629 925799857 /nfs/dbraw/zinc/79/98/57/925799857.db2.gz JXZZWFYYXIBSEU-GXSJLCMTSA-N 1 1 322.373 -1.273 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411002405 925800138 /nfs/dbraw/zinc/80/01/38/925800138.db2.gz YOWWFSIAGJZYOF-ZJUUUORDSA-N 1 1 300.363 -1.456 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC(=O)N(C)C2)[nH]1 ZINC001411044748 925804223 /nfs/dbraw/zinc/80/42/23/925804223.db2.gz PMBVBDUCMYCHDK-QWRGUYRKSA-N 1 1 324.385 -1.500 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@H]1CCNC1=O ZINC001411042652 925804798 /nfs/dbraw/zinc/80/47/98/925804798.db2.gz LMZQEDGBNURDKJ-MNOVXSKESA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@H]1CCNC1=O ZINC001411042647 925804914 /nfs/dbraw/zinc/80/49/14/925804914.db2.gz LMZQEDGBNURDKJ-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@@H]1CCNC1=O ZINC001411042671 925805125 /nfs/dbraw/zinc/80/51/25/925805125.db2.gz LMZQEDGBNURDKJ-WDEREUQCSA-N 1 1 324.385 -1.750 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cscn1 ZINC001411047460 925805276 /nfs/dbraw/zinc/80/52/76/925805276.db2.gz UYXMFHQSTUBBPY-JTQLQIEISA-N 1 1 315.399 -1.019 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2ncnn2)no1 ZINC001411062147 925806303 /nfs/dbraw/zinc/80/63/03/925806303.db2.gz IXVHYWUGDHCFEI-LLVKDONJSA-N 1 1 309.330 -1.421 20 0 DAADMO Cc1ccnc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001411059087 925807321 /nfs/dbraw/zinc/80/73/21/925807321.db2.gz GBBKLEMNLZGKQI-SNVBAGLBSA-N 1 1 320.357 -1.469 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001411060401 925807423 /nfs/dbraw/zinc/80/74/23/925807423.db2.gz DRYMXSTYBMRJRW-UWVGGRQHSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1nnccc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001411052892 925807550 /nfs/dbraw/zinc/80/75/50/925807550.db2.gz GPEXSUHCRLTAHV-JTQLQIEISA-N 1 1 320.357 -1.469 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001411061500 925807905 /nfs/dbraw/zinc/80/79/05/925807905.db2.gz IMFFFTMUAPBDHR-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CC1(F)F ZINC001411078163 925808462 /nfs/dbraw/zinc/80/84/62/925808462.db2.gz VOGNIDXUAVGVAN-SFYZADRCSA-N 1 1 304.301 -1.226 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001411078571 925809106 /nfs/dbraw/zinc/80/91/06/925809106.db2.gz RLYQYFMEFNHURB-SNVBAGLBSA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CC1(F)F ZINC001411078148 925809260 /nfs/dbraw/zinc/80/92/60/925809260.db2.gz VOGNIDXUAVGVAN-JGVFFNPUSA-N 1 1 304.301 -1.226 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001411092010 925811123 /nfs/dbraw/zinc/81/11/23/925811123.db2.gz UZCMQTSLKVSRSN-NXEZZACHSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CNC(=O)N1 ZINC001411092032 925811876 /nfs/dbraw/zinc/81/18/76/925811876.db2.gz UZCMQTSLKVSRSN-VHSXEESVSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@@H]1CCC(=O)N1 ZINC001411100366 925812692 /nfs/dbraw/zinc/81/26/92/925812692.db2.gz ICEKWGLNOINBST-JQWIXIFHSA-N 1 1 324.385 -1.607 20 0 DAADMO CCn1ccc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001411097002 925814523 /nfs/dbraw/zinc/81/45/23/925814523.db2.gz DPQPAKLEAQNYIU-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001411127115 925815794 /nfs/dbraw/zinc/81/57/94/925815794.db2.gz KPZVTULGXCLHFV-SSDOTTSWSA-N 1 1 310.301 -1.412 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001411127115 925815801 /nfs/dbraw/zinc/81/58/01/925815801.db2.gz KPZVTULGXCLHFV-SSDOTTSWSA-N 1 1 310.301 -1.412 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cn1ccnc1 ZINC001411126951 925815993 /nfs/dbraw/zinc/81/59/93/925815993.db2.gz MWBNZCJAMDSDJG-JTQLQIEISA-N 1 1 308.346 -1.984 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001411131561 925817506 /nfs/dbraw/zinc/81/75/06/925817506.db2.gz WQKHFCULEYRSKU-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn(C)c(=O)n1C ZINC001411132746 925818585 /nfs/dbraw/zinc/81/85/85/925818585.db2.gz VFNDQFSPZMNYPB-SNVBAGLBSA-N 1 1 324.341 -1.671 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cnon1)c1nncn1C ZINC001411133728 925818830 /nfs/dbraw/zinc/81/88/30/925818830.db2.gz XOYIXWAITAMFBB-DTWKUNHWSA-N 1 1 309.330 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CCc1cn(C)nn1 ZINC001411135445 925818845 /nfs/dbraw/zinc/81/88/45/925818845.db2.gz YUANPFWABPCVGN-GFCCVEGCSA-N 1 1 323.357 -1.260 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001411132494 925819231 /nfs/dbraw/zinc/81/92/31/925819231.db2.gz RMKWPKBEIASBLM-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001411132494 925819239 /nfs/dbraw/zinc/81/92/39/925819239.db2.gz RMKWPKBEIASBLM-NEPJUHHUSA-N 1 1 322.427 -1.181 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cnon2)C1 ZINC001411150488 925820167 /nfs/dbraw/zinc/82/01/67/925820167.db2.gz JHVVUCFMLXINTI-FZMZJTMJSA-N 1 1 323.353 -1.143 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001411145912 925820522 /nfs/dbraw/zinc/82/05/22/925820522.db2.gz HNAYPYRPGGYXTE-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001411145912 925820534 /nfs/dbraw/zinc/82/05/34/925820534.db2.gz HNAYPYRPGGYXTE-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001411143939 925821140 /nfs/dbraw/zinc/82/11/40/925821140.db2.gz GIZAVHRPYLNPOQ-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143939 925821155 /nfs/dbraw/zinc/82/11/55/925821155.db2.gz GIZAVHRPYLNPOQ-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143939 925821163 /nfs/dbraw/zinc/82/11/63/925821163.db2.gz GIZAVHRPYLNPOQ-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001411151705 925822658 /nfs/dbraw/zinc/82/26/58/925822658.db2.gz SBOUNBBKCZNSDW-ZJUUUORDSA-N 1 1 310.358 -1.699 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001411158059 925822780 /nfs/dbraw/zinc/82/27/80/925822780.db2.gz FIXAQGBFZGGMOG-LBPRGKRZSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001411158059 925822792 /nfs/dbraw/zinc/82/27/92/925822792.db2.gz FIXAQGBFZGGMOG-LBPRGKRZSA-N 1 1 311.386 -1.127 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411169517 925823904 /nfs/dbraw/zinc/82/39/04/925823904.db2.gz OIJDSXHERNJEBU-SNVBAGLBSA-N 1 1 305.350 -1.259 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411169517 925823914 /nfs/dbraw/zinc/82/39/14/925823914.db2.gz OIJDSXHERNJEBU-SNVBAGLBSA-N 1 1 305.350 -1.259 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001411162132 925824205 /nfs/dbraw/zinc/82/42/05/925824205.db2.gz HYJZEJIUDCEYPG-SNVBAGLBSA-N 1 1 318.374 -1.643 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001411162132 925824210 /nfs/dbraw/zinc/82/42/10/925824210.db2.gz HYJZEJIUDCEYPG-SNVBAGLBSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001411166080 925825021 /nfs/dbraw/zinc/82/50/21/925825021.db2.gz MHZOKEVBEWXVDO-JTQLQIEISA-N 1 1 316.333 -1.331 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001411166080 925825032 /nfs/dbraw/zinc/82/50/32/925825032.db2.gz MHZOKEVBEWXVDO-JTQLQIEISA-N 1 1 316.333 -1.331 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411170420 925825052 /nfs/dbraw/zinc/82/50/52/925825052.db2.gz JDDDQPGVSUEWJW-GHMZBOCLSA-N 1 1 315.374 -1.813 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001411169606 925825469 /nfs/dbraw/zinc/82/54/69/925825469.db2.gz MJYMKBURUNUWCU-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001411169606 925825480 /nfs/dbraw/zinc/82/54/80/925825480.db2.gz MJYMKBURUNUWCU-NSHDSACASA-N 1 1 309.370 -1.104 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411169157 925826064 /nfs/dbraw/zinc/82/60/64/925826064.db2.gz HCUNDBSOVYLAEB-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001411169157 925826074 /nfs/dbraw/zinc/82/60/74/925826074.db2.gz HCUNDBSOVYLAEB-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1c[nH]cn1 ZINC001411163905 925826220 /nfs/dbraw/zinc/82/62/20/925826220.db2.gz AAAHOBDXLWQFEW-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001411174184 925826632 /nfs/dbraw/zinc/82/66/32/925826632.db2.gz IAXXUFPQVGOFRY-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001411174184 925826637 /nfs/dbraw/zinc/82/66/37/925826637.db2.gz IAXXUFPQVGOFRY-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001411179093 925826672 /nfs/dbraw/zinc/82/66/72/925826672.db2.gz PUFHXGUJEJPIPS-VXGBXAGGSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176658 925826944 /nfs/dbraw/zinc/82/69/44/925826944.db2.gz DISIZUVBWOZSJO-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176658 925826952 /nfs/dbraw/zinc/82/69/52/925826952.db2.gz DISIZUVBWOZSJO-WDEREUQCSA-N 1 1 324.385 -1.210 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001411174177 925827141 /nfs/dbraw/zinc/82/71/41/925827141.db2.gz IAXXUFPQVGOFRY-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001411174177 925827150 /nfs/dbraw/zinc/82/71/50/925827150.db2.gz IAXXUFPQVGOFRY-GHMZBOCLSA-N 1 1 311.386 -1.033 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411171083 925827440 /nfs/dbraw/zinc/82/74/40/925827440.db2.gz YGYWNXCGBQDGDI-SNVBAGLBSA-N 1 1 301.343 -1.628 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411171083 925827449 /nfs/dbraw/zinc/82/74/49/925827449.db2.gz YGYWNXCGBQDGDI-SNVBAGLBSA-N 1 1 301.343 -1.628 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411175354 925827675 /nfs/dbraw/zinc/82/76/75/925827675.db2.gz XYZPPMFMCSWJDN-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411175354 925827684 /nfs/dbraw/zinc/82/76/84/925827684.db2.gz XYZPPMFMCSWJDN-SNVBAGLBSA-N 1 1 312.374 -1.684 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1c(Cl)cnn1C ZINC001411172532 925827984 /nfs/dbraw/zinc/82/79/84/925827984.db2.gz UINANRJAWOZSQK-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1c(Cl)cnn1C ZINC001411172532 925827990 /nfs/dbraw/zinc/82/79/90/925827990.db2.gz UINANRJAWOZSQK-QMMMGPOBSA-N 1 1 317.777 -1.077 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174039 925828357 /nfs/dbraw/zinc/82/83/57/925828357.db2.gz RLZUJPHWBRASAB-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411174039 925828368 /nfs/dbraw/zinc/82/83/68/925828368.db2.gz RLZUJPHWBRASAB-VHSXEESVSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177466 925828473 /nfs/dbraw/zinc/82/84/73/925828473.db2.gz BSZHYPQEGZCAST-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177466 925828482 /nfs/dbraw/zinc/82/84/82/925828482.db2.gz BSZHYPQEGZCAST-MNOVXSKESA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@@H](O)CN(C)[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001411177649 925828516 /nfs/dbraw/zinc/82/85/16/925828516.db2.gz DBPZLRKZWAMTMX-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1csc(=O)[nH]1 ZINC001411177305 925828625 /nfs/dbraw/zinc/82/86/25/925828625.db2.gz CCIJEZVQMNJDHE-QMMMGPOBSA-N 1 1 316.383 -1.041 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csc(=O)[nH]1 ZINC001411177305 925828629 /nfs/dbraw/zinc/82/86/29/925828629.db2.gz CCIJEZVQMNJDHE-QMMMGPOBSA-N 1 1 316.383 -1.041 20 0 DAADMO COc1ncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001411179503 925828761 /nfs/dbraw/zinc/82/87/61/925828761.db2.gz LQNOANCKHOIBHD-JTQLQIEISA-N 1 1 311.342 -1.665 20 0 DAADMO COc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001411179503 925828767 /nfs/dbraw/zinc/82/87/67/925828767.db2.gz LQNOANCKHOIBHD-JTQLQIEISA-N 1 1 311.342 -1.665 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cn1ccccc1=O ZINC001411187533 925829538 /nfs/dbraw/zinc/82/95/38/925829538.db2.gz SGASCDYCNGTGEI-ZDUSSCGKSA-N 1 1 311.382 -1.018 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001411199420 925829873 /nfs/dbraw/zinc/82/98/73/925829873.db2.gz WUANBBGVNNLYJU-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001411199420 925829883 /nfs/dbraw/zinc/82/98/83/925829883.db2.gz WUANBBGVNNLYJU-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001411189882 925829955 /nfs/dbraw/zinc/82/99/55/925829955.db2.gz SSHWBHKUCZQVAU-JTQLQIEISA-N 1 1 310.354 -1.054 20 0 DAADMO Cc1ccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)c(=O)[nH]1 ZINC001411189882 925829961 /nfs/dbraw/zinc/82/99/61/925829961.db2.gz SSHWBHKUCZQVAU-JTQLQIEISA-N 1 1 310.354 -1.054 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001411185007 925830315 /nfs/dbraw/zinc/83/03/15/925830315.db2.gz YICLCDDRQXIJJP-ZFWWWQNUSA-N 1 1 315.414 -1.012 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)C(C)C ZINC001411183370 925830351 /nfs/dbraw/zinc/83/03/51/925830351.db2.gz WKFUMROJWOLYDX-WCQYABFASA-N 1 1 316.402 -1.617 20 0 DAADMO CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)C(C)C ZINC001411183370 925830355 /nfs/dbraw/zinc/83/03/55/925830355.db2.gz WKFUMROJWOLYDX-WCQYABFASA-N 1 1 316.402 -1.617 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001411192471 925830415 /nfs/dbraw/zinc/83/04/15/925830415.db2.gz ZZBACVZYFZNDPU-BDAKNGLRSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001411192471 925830421 /nfs/dbraw/zinc/83/04/21/925830421.db2.gz ZZBACVZYFZNDPU-BDAKNGLRSA-N 1 1 322.387 -3.086 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001411199429 925830469 /nfs/dbraw/zinc/83/04/69/925830469.db2.gz WUANBBGVNNLYJU-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001411199429 925830478 /nfs/dbraw/zinc/83/04/78/925830478.db2.gz WUANBBGVNNLYJU-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)C1 ZINC001411192304 925830496 /nfs/dbraw/zinc/83/04/96/925830496.db2.gz YVFLWPDICAVLNB-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)C1 ZINC001411192304 925830511 /nfs/dbraw/zinc/83/05/11/925830511.db2.gz YVFLWPDICAVLNB-NWDGAFQWSA-N 1 1 316.402 -2.057 20 0 DAADMO CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001411180202 925830941 /nfs/dbraw/zinc/83/09/41/925830941.db2.gz OEYUIJBOMVNAOI-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC001411180202 925830949 /nfs/dbraw/zinc/83/09/49/925830949.db2.gz OEYUIJBOMVNAOI-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1C(N)=O ZINC001411191110 925831223 /nfs/dbraw/zinc/83/12/23/925831223.db2.gz UJHMJELDLWVBQB-MNOVXSKESA-N 1 1 302.375 -1.727 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180027 925831474 /nfs/dbraw/zinc/83/14/74/925831474.db2.gz NBSCCTXBZDDPTC-UWVGGRQHSA-N 1 1 313.362 -2.312 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180027 925831485 /nfs/dbraw/zinc/83/14/85/925831485.db2.gz NBSCCTXBZDDPTC-UWVGGRQHSA-N 1 1 313.362 -2.312 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001411187386 925831675 /nfs/dbraw/zinc/83/16/75/925831675.db2.gz KXOJHNVOPHVGKB-NSHDSACASA-N 1 1 312.370 -1.139 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001411199423 925831951 /nfs/dbraw/zinc/83/19/51/925831951.db2.gz WUANBBGVNNLYJU-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001411199423 925831965 /nfs/dbraw/zinc/83/19/65/925831965.db2.gz WUANBBGVNNLYJU-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C[C@H](O)CN(C)[C@@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190820 925832033 /nfs/dbraw/zinc/83/20/33/925832033.db2.gz NOAAAPOWLLYPGU-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001411187385 925832328 /nfs/dbraw/zinc/83/23/28/925832328.db2.gz KXOJHNVOPHVGKB-LLVKDONJSA-N 1 1 312.370 -1.139 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C[C@@H](C)O ZINC001411216461 925833537 /nfs/dbraw/zinc/83/35/37/925833537.db2.gz NXEVSHFNUQGPKN-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001411379221 925838544 /nfs/dbraw/zinc/83/85/44/925838544.db2.gz XLQVTTMTSVNINM-QWRGUYRKSA-N 1 1 320.357 -1.112 20 0 DAADMO CCO[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C[NH+](C)C ZINC001411529391 925844653 /nfs/dbraw/zinc/84/46/53/925844653.db2.gz JRDKOQARHNRQBG-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)Cn1cnnn1 ZINC001411572621 925845318 /nfs/dbraw/zinc/84/53/18/925845318.db2.gz VPYKLFFTUHBKHB-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001411702152 925851751 /nfs/dbraw/zinc/85/17/51/925851751.db2.gz XXQPCIVQFRVNCD-BXUZGUMPSA-N 1 1 308.386 -1.035 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)nn1 ZINC001411785290 925857438 /nfs/dbraw/zinc/85/74/38/925857438.db2.gz LAVRQRKVODYCBM-LLVKDONJSA-N 1 1 323.401 -1.658 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)nn1 ZINC001411785290 925857448 /nfs/dbraw/zinc/85/74/48/925857448.db2.gz LAVRQRKVODYCBM-LLVKDONJSA-N 1 1 323.401 -1.658 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001411786829 925857476 /nfs/dbraw/zinc/85/74/76/925857476.db2.gz RYDXTZONAOIELK-VXGBXAGGSA-N 1 1 320.459 -1.078 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CS(=O)(=O)C2CC2)CC1 ZINC001411777585 925857565 /nfs/dbraw/zinc/85/75/65/925857565.db2.gz OJLUCABMOVKIEG-UHFFFAOYSA-N 1 1 317.411 -1.156 20 0 DAADMO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001411994128 925866114 /nfs/dbraw/zinc/86/61/14/925866114.db2.gz ZSDKMFIRAZDERF-GZMMTYOYSA-N 1 1 305.356 -2.918 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001411994128 925866121 /nfs/dbraw/zinc/86/61/21/925866121.db2.gz ZSDKMFIRAZDERF-GZMMTYOYSA-N 1 1 305.356 -2.918 20 0 DAADMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[NH+](C)C ZINC001412004018 925866906 /nfs/dbraw/zinc/86/69/06/925866906.db2.gz HSVSTNLXXCYQCW-SECBINFHSA-N 1 1 316.387 -1.412 20 0 DAADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](CO)C(N)=O ZINC001412110542 925874052 /nfs/dbraw/zinc/87/40/52/925874052.db2.gz SSYQLPOWFXWTFB-VIFPVBQESA-N 1 1 306.326 -1.201 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001412260108 925882521 /nfs/dbraw/zinc/88/25/21/925882521.db2.gz RJQVUYXBTANOGE-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001412244652 925882783 /nfs/dbraw/zinc/88/27/83/925882783.db2.gz LGHJMWFKULAFHL-IJLUTSLNSA-N 1 1 321.385 -1.222 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001412308870 925885384 /nfs/dbraw/zinc/88/53/84/925885384.db2.gz FYWYIHMKIIYUBM-GFCCVEGCSA-N 1 1 315.337 -1.052 20 0 DAADMO O=C(c1ccc(-n2cnnn2)cn1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001412308870 925885394 /nfs/dbraw/zinc/88/53/94/925885394.db2.gz FYWYIHMKIIYUBM-GFCCVEGCSA-N 1 1 315.337 -1.052 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001412308927 925885894 /nfs/dbraw/zinc/88/58/94/925885894.db2.gz NONCKPBXHVMLQJ-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NCc2n[nH]c(CO)n2)CC1=O ZINC001412363343 925889174 /nfs/dbraw/zinc/88/91/74/925889174.db2.gz JYFLGCDXJAYICX-SECBINFHSA-N 1 1 310.358 -1.677 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)C1 ZINC001412407753 925892633 /nfs/dbraw/zinc/89/26/33/925892633.db2.gz SLMBLAOQXFKIOZ-FOGDFJRCSA-N 1 1 306.384 -1.893 20 0 DAADMO O=C(CCc1nc(-c2nc[nH]n2)no1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001412411255 925893497 /nfs/dbraw/zinc/89/34/97/925893497.db2.gz ROFUFFMEQPXCGE-VIFPVBQESA-N 1 1 321.341 -1.030 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cn(C(F)(F)CO)nn1 ZINC001412464778 925900867 /nfs/dbraw/zinc/90/08/67/925900867.db2.gz KSQRLYBOWFZIHQ-JTQLQIEISA-N 1 1 321.284 -2.100 20 0 DAADMO CCc1noc(COCC(=O)NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001412467487 925901894 /nfs/dbraw/zinc/90/18/94/925901894.db2.gz VZXFAWRNCZWBEO-CYBMUJFWSA-N 1 1 314.342 -1.384 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nnc3n2CCN(C)C3=O)C1 ZINC001412546021 925909997 /nfs/dbraw/zinc/90/99/97/925909997.db2.gz PBTYMYAMFFOXRC-SNVBAGLBSA-N 1 1 322.369 -1.299 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCc2nnc3n2CCN(C)C3=O)C1 ZINC001412546021 925910005 /nfs/dbraw/zinc/91/00/05/925910005.db2.gz PBTYMYAMFFOXRC-SNVBAGLBSA-N 1 1 322.369 -1.299 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001412552771 925910987 /nfs/dbraw/zinc/91/09/87/925910987.db2.gz VYUOGDWSLQDGMH-JTQLQIEISA-N 1 1 302.350 -1.259 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001412570724 925912940 /nfs/dbraw/zinc/91/29/40/925912940.db2.gz CCLNNXYAWZFZJN-USWWRNFRSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001412570724 925912954 /nfs/dbraw/zinc/91/29/54/925912954.db2.gz CCLNNXYAWZFZJN-USWWRNFRSA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001412570724 925912973 /nfs/dbraw/zinc/91/29/73/925912973.db2.gz CCLNNXYAWZFZJN-USWWRNFRSA-N 1 1 313.402 -1.883 20 0 DAADMO C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001412580211 925912998 /nfs/dbraw/zinc/91/29/98/925912998.db2.gz UWFLXDKZSJPKKB-UWVGGRQHSA-N 1 1 309.374 -1.873 20 0 DAADMO C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001412580216 925914050 /nfs/dbraw/zinc/91/40/50/925914050.db2.gz UWFLXDKZSJPKKB-ZJUUUORDSA-N 1 1 309.374 -1.873 20 0 DAADMO COC(=O)Cc1nc(NC(=O)C2CN(C)CC[N@@H+](C)C2)n[nH]1 ZINC001412593918 925914826 /nfs/dbraw/zinc/91/48/26/925914826.db2.gz PWUJPXKAMNNYEL-UHFFFAOYSA-N 1 1 310.358 -1.048 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001412591671 925915163 /nfs/dbraw/zinc/91/51/63/925915163.db2.gz LJJYVEJTNIERER-VIFPVBQESA-N 1 1 318.341 -1.363 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2nnc3c(=O)[nH]ccn23)C1 ZINC001412614400 925917063 /nfs/dbraw/zinc/91/70/63/925917063.db2.gz SJOOKTHSDWRHIK-SNVBAGLBSA-N 1 1 320.353 -1.203 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2nnc3c(=O)[nH]ccn23)C1 ZINC001412614400 925917072 /nfs/dbraw/zinc/91/70/72/925917072.db2.gz SJOOKTHSDWRHIK-SNVBAGLBSA-N 1 1 320.353 -1.203 20 0 DAADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2cnc(N)n2)CC1 ZINC001412634311 925918737 /nfs/dbraw/zinc/91/87/37/925918737.db2.gz KKNMDYVAXOPMFB-JTQLQIEISA-N 1 1 310.358 -1.044 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412659852 925921281 /nfs/dbraw/zinc/92/12/81/925921281.db2.gz CQRVACMRIQSKGB-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001412659856 925922038 /nfs/dbraw/zinc/92/20/38/925922038.db2.gz CQRVACMRIQSKGB-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)C1 ZINC001412684374 925923232 /nfs/dbraw/zinc/92/32/32/925923232.db2.gz GVEXLPJRTOQASK-QMMMGPOBSA-N 1 1 301.372 -1.083 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C1 ZINC001412684374 925923242 /nfs/dbraw/zinc/92/32/42/925923242.db2.gz GVEXLPJRTOQASK-QMMMGPOBSA-N 1 1 301.372 -1.083 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C1 ZINC001412684374 925923252 /nfs/dbraw/zinc/92/32/52/925923252.db2.gz GVEXLPJRTOQASK-QMMMGPOBSA-N 1 1 301.372 -1.083 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412734343 925929361 /nfs/dbraw/zinc/92/93/61/925929361.db2.gz GOBDEAYTRLDVAR-QWRGUYRKSA-N 1 1 300.359 -2.190 20 0 DAADMO COCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412733154 925929468 /nfs/dbraw/zinc/92/94/68/925929468.db2.gz WYJPSCLMZGLFOO-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412737492 925929817 /nfs/dbraw/zinc/92/98/17/925929817.db2.gz LINZIKSWMZRWCV-ADEWGFFLSA-N 1 1 314.386 -1.944 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](CO)NC(N)=O)C[C@H]1C ZINC001412744955 925933287 /nfs/dbraw/zinc/93/32/87/925933287.db2.gz BGDWFXCLIUIRDL-ZJUUUORDSA-N 1 1 316.358 -1.889 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](CO)NC(N)=O)C[C@H]1C ZINC001412744955 925933297 /nfs/dbraw/zinc/93/32/97/925933297.db2.gz BGDWFXCLIUIRDL-ZJUUUORDSA-N 1 1 316.358 -1.889 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001412759651 925937950 /nfs/dbraw/zinc/93/79/50/925937950.db2.gz RQVIPJXKTPXQLR-NWDGAFQWSA-N 1 1 309.370 -1.572 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCOC1 ZINC001412771877 925940604 /nfs/dbraw/zinc/94/06/04/925940604.db2.gz FMIFOXUDHSTESR-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)CNC(=O)c2cn[nH]c2)C1 ZINC001412771827 925941431 /nfs/dbraw/zinc/94/14/31/925941431.db2.gz BVHQYNKMEVCXIA-PWSUYJOCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)COCC2CC2)C1 ZINC001412789103 925946584 /nfs/dbraw/zinc/94/65/84/925946584.db2.gz XYQGXTZIKDJEPZ-QWHCGFSZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)C1 ZINC001412792009 925947974 /nfs/dbraw/zinc/94/79/74/925947974.db2.gz GPTRGKUNDCNCEH-JMSVASOKSA-N 1 1 321.381 -1.401 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1cnoc1 ZINC001412789953 925948499 /nfs/dbraw/zinc/94/84/99/925948499.db2.gz GVCDCMAJYIEGHD-NWDGAFQWSA-N 1 1 310.354 -1.095 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C(F)(F)CO)nn2)C1 ZINC001412790401 925948527 /nfs/dbraw/zinc/94/85/27/925948527.db2.gz AZCXSRPQCMZNJL-JTQLQIEISA-N 1 1 305.285 -1.384 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnccn1 ZINC001412789326 925948827 /nfs/dbraw/zinc/94/88/27/925948827.db2.gz GCFXPERKPHLOLY-JQWIXIFHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnccn1 ZINC001412789335 925948868 /nfs/dbraw/zinc/94/88/68/925948868.db2.gz GCFXPERKPHLOLY-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cccn1 ZINC001412797944 925950371 /nfs/dbraw/zinc/95/03/71/925950371.db2.gz OVLGGFJXNNVQCR-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCCF)C1 ZINC001412801276 925952089 /nfs/dbraw/zinc/95/20/89/925952089.db2.gz DOPWMBDAAKLFNY-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CCCF)C1 ZINC001412801276 925952093 /nfs/dbraw/zinc/95/20/93/925952093.db2.gz DOPWMBDAAKLFNY-GHMZBOCLSA-N 1 1 305.350 -1.340 20 0 DAADMO C[C@H]1OC(=O)N[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001412804812 925953031 /nfs/dbraw/zinc/95/30/31/925953031.db2.gz FIRJPSYAYJIAKZ-YAMSLAJTSA-N 1 1 313.354 -1.175 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001412804965 925953592 /nfs/dbraw/zinc/95/35/92/925953592.db2.gz UMDZBGUMTZJXHE-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001412802616 925954244 /nfs/dbraw/zinc/95/42/44/925954244.db2.gz SDBDSYQLCYUDLM-DGCLKSJQSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2nnc[nH]2)C1 ZINC001412814423 925957010 /nfs/dbraw/zinc/95/70/10/925957010.db2.gz NQVOYLBAHZNRBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814423 925957017 /nfs/dbraw/zinc/95/70/17/925957017.db2.gz NQVOYLBAHZNRBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814423 925957024 /nfs/dbraw/zinc/95/70/24/925957024.db2.gz NQVOYLBAHZNRBS-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001412827448 925960387 /nfs/dbraw/zinc/96/03/87/925960387.db2.gz BCUZIURSCYFWCO-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001412828359 925961403 /nfs/dbraw/zinc/96/14/03/925961403.db2.gz LXRUAZOQRXUBBC-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)[C@H](O)C(C)C ZINC001412843294 925965601 /nfs/dbraw/zinc/96/56/01/925965601.db2.gz YYPHCAJKUJYKLH-DGCLKSJQSA-N 1 1 312.370 -1.198 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001412846312 925966053 /nfs/dbraw/zinc/96/60/53/925966053.db2.gz ANRSEQYRWMZLOX-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)[C@H](O)C(C)C ZINC001412843316 925966591 /nfs/dbraw/zinc/96/65/91/925966591.db2.gz YYPHCAJKUJYKLH-WCQYABFASA-N 1 1 312.370 -1.198 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412848828 925967164 /nfs/dbraw/zinc/96/71/64/925967164.db2.gz OPKGAUDEQZFSRP-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1nccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001412852157 925967572 /nfs/dbraw/zinc/96/75/72/925967572.db2.gz GEVIUUWWNTWXSU-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860137 925968862 /nfs/dbraw/zinc/96/88/62/925968862.db2.gz AXMOBDHKZLWPTO-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860137 925968868 /nfs/dbraw/zinc/96/88/68/925968868.db2.gz AXMOBDHKZLWPTO-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nnc[nH]2)C1 ZINC001412854848 925969040 /nfs/dbraw/zinc/96/90/40/925969040.db2.gz WJOOGNAXCNLSAR-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854848 925969048 /nfs/dbraw/zinc/96/90/48/925969048.db2.gz WJOOGNAXCNLSAR-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2nc[nH]n2)C1 ZINC001412854848 925969057 /nfs/dbraw/zinc/96/90/57/925969057.db2.gz WJOOGNAXCNLSAR-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860140 925969932 /nfs/dbraw/zinc/96/99/32/925969932.db2.gz AXMOBDHKZLWPTO-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001412860140 925969936 /nfs/dbraw/zinc/96/99/36/925969936.db2.gz AXMOBDHKZLWPTO-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cn(C)nn1 ZINC001412862548 925971132 /nfs/dbraw/zinc/97/11/32/925971132.db2.gz PAHTUDQPWLCEPO-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864173 925971505 /nfs/dbraw/zinc/97/15/05/925971505.db2.gz ICXWPWMTBOTLFB-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001412864173 925971514 /nfs/dbraw/zinc/97/15/14/925971514.db2.gz ICXWPWMTBOTLFB-STQMWFEESA-N 1 1 324.381 -1.058 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412865765 925972580 /nfs/dbraw/zinc/97/25/80/925972580.db2.gz UZBCBGMRTJEALL-GFCCVEGCSA-N 1 1 324.385 -1.574 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)Cc2nnc[nH]2)CCC1 ZINC001412872258 925973205 /nfs/dbraw/zinc/97/32/05/925973205.db2.gz BQDWZFJVOSUHCQ-JTQLQIEISA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cnn(C)c2)CC[N@H+]1C ZINC001412869663 925973219 /nfs/dbraw/zinc/97/32/19/925973219.db2.gz PEXQFROJFNAPBY-RAIGVLPGSA-N 1 1 323.397 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)Cn1nccn1 ZINC001412876334 925974173 /nfs/dbraw/zinc/97/41/73/925974173.db2.gz IKFQUCCQLHFPJW-LLVKDONJSA-N 1 1 312.374 -1.788 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001412887152 925976691 /nfs/dbraw/zinc/97/66/91/925976691.db2.gz VZAWLGLQWLZAIM-GHMZBOCLSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001412884317 925977027 /nfs/dbraw/zinc/97/70/27/925977027.db2.gz RSTWNFXAZMVGGR-LLVKDONJSA-N 1 1 315.370 -1.192 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001412890422 925977070 /nfs/dbraw/zinc/97/70/70/925977070.db2.gz AJPJKFFPCZPOMQ-ONGXEEELSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001412887153 925977166 /nfs/dbraw/zinc/97/71/66/925977166.db2.gz VZAWLGLQWLZAIM-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001412898009 925978271 /nfs/dbraw/zinc/97/82/71/925978271.db2.gz IKEUBMGAWIEDPM-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001412897966 925978712 /nfs/dbraw/zinc/97/87/12/925978712.db2.gz VMXCOJSIWJPKPD-KOLCDFICSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897966 925978720 /nfs/dbraw/zinc/97/87/20/925978720.db2.gz VMXCOJSIWJPKPD-KOLCDFICSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897966 925978727 /nfs/dbraw/zinc/97/87/27/925978727.db2.gz VMXCOJSIWJPKPD-KOLCDFICSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1[nH]nnc1C ZINC001412906150 925979984 /nfs/dbraw/zinc/97/99/84/925979984.db2.gz QQHIFNDHXATXSA-SNVBAGLBSA-N 1 1 321.341 -1.475 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001412918943 925984730 /nfs/dbraw/zinc/98/47/30/925984730.db2.gz VFHZRPHSBQMWRX-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918943 925984737 /nfs/dbraw/zinc/98/47/37/925984737.db2.gz VFHZRPHSBQMWRX-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1 ZINC001412918943 925984741 /nfs/dbraw/zinc/98/47/41/925984741.db2.gz VFHZRPHSBQMWRX-PWSUYJOCSA-N 1 1 324.385 -1.116 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)c1 ZINC001412928465 925985881 /nfs/dbraw/zinc/98/58/81/925985881.db2.gz MCNAAIYKNOCNQH-LBPRGKRZSA-N 1 1 311.386 -1.031 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2nnc[nH]2)C1 ZINC001412947287 925989366 /nfs/dbraw/zinc/98/93/66/925989366.db2.gz LIVGGUVFUGKBJX-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001412947287 925989374 /nfs/dbraw/zinc/98/93/74/925989374.db2.gz LIVGGUVFUGKBJX-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)C1 ZINC001412947287 925989380 /nfs/dbraw/zinc/98/93/80/925989380.db2.gz LIVGGUVFUGKBJX-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001412947287 925989388 /nfs/dbraw/zinc/98/93/88/925989388.db2.gz LIVGGUVFUGKBJX-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)C1 ZINC001412947287 925989396 /nfs/dbraw/zinc/98/93/96/925989396.db2.gz LIVGGUVFUGKBJX-SNVBAGLBSA-N 1 1 324.385 -1.257 20 0 DAADMO C[N@H+](CCN1CCOCC1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001412949537 925989825 /nfs/dbraw/zinc/98/98/25/925989825.db2.gz NDUGPQFOOPVPIA-UHFFFAOYSA-N 1 1 307.358 -1.236 20 0 DAADMO C[N@@H+](CCN1CCOCC1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC001412949537 925989834 /nfs/dbraw/zinc/98/98/34/925989834.db2.gz NDUGPQFOOPVPIA-UHFFFAOYSA-N 1 1 307.358 -1.236 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC001412956825 925992925 /nfs/dbraw/zinc/99/29/25/925992925.db2.gz ZLYKTXKTPVWSNQ-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC001412956825 925992935 /nfs/dbraw/zinc/99/29/35/925992935.db2.gz ZLYKTXKTPVWSNQ-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1ccnc1 ZINC001412959111 925993080 /nfs/dbraw/zinc/99/30/80/925993080.db2.gz PGPYDOMZJDKFCA-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001412991173 925998347 /nfs/dbraw/zinc/99/83/47/925998347.db2.gz CSCKLKGUANGKMI-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001412991173 925998355 /nfs/dbraw/zinc/99/83/55/925998355.db2.gz CSCKLKGUANGKMI-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001412991173 925998363 /nfs/dbraw/zinc/99/83/63/925998363.db2.gz CSCKLKGUANGKMI-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1ccnn1C ZINC001412989909 925998766 /nfs/dbraw/zinc/99/87/66/925998766.db2.gz MNTUDAYMXHGMCE-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1ccnn1C ZINC001412989916 925999211 /nfs/dbraw/zinc/99/92/11/925999211.db2.gz MNTUDAYMXHGMCE-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001413005458 926001780 /nfs/dbraw/zinc/00/17/80/926001780.db2.gz IXOUMHGNGSAGQD-NWDGAFQWSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001413013441 926002124 /nfs/dbraw/zinc/00/21/24/926002124.db2.gz UHQGLOZVCJUIOC-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)C2(O)CCOCC2)C[C@H]1C(N)=O ZINC001413026273 926004038 /nfs/dbraw/zinc/00/40/38/926004038.db2.gz KTVKILFWYNJWNK-AEJSXWLSSA-N 1 1 301.343 -2.593 20 0 DAADMO C[NH+](C)CC1(O)CCN(Cc2cc(=O)n3nc(N)[nH]c3n2)CC1 ZINC001413034063 926005510 /nfs/dbraw/zinc/00/55/10/926005510.db2.gz HBJXKGZGKIDRLK-UHFFFAOYSA-N 1 1 321.385 -1.112 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C[C@H]1C(N)=O ZINC001413031868 926005741 /nfs/dbraw/zinc/00/57/41/926005741.db2.gz YCJJUASFHIDJGJ-SDDRHHMPSA-N 1 1 313.398 -1.049 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(O)CCCCC2)C[C@H]1C(N)=O ZINC001413031879 926006090 /nfs/dbraw/zinc/00/60/90/926006090.db2.gz YCJJUASFHIDJGJ-UTUOFQBUSA-N 1 1 313.398 -1.049 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001413062151 926008125 /nfs/dbraw/zinc/00/81/25/926008125.db2.gz DLVQZTGOCYOSLE-JTQLQIEISA-N 1 1 311.429 -1.368 20 0 DAADMO C[C@@H](CN1CCOCC1)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001413066958 926008632 /nfs/dbraw/zinc/00/86/32/926008632.db2.gz IVQMFSVNQREELK-QWHCGFSZSA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@H](CN1CCN2[C@H](CNS2(=O)=O)C1)C[NH+]1CCOCC1 ZINC001413066958 926008643 /nfs/dbraw/zinc/00/86/43/926008643.db2.gz IVQMFSVNQREELK-QWHCGFSZSA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@@H](CN1CCOCC1)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001413066961 926008899 /nfs/dbraw/zinc/00/88/99/926008899.db2.gz IVQMFSVNQREELK-STQMWFEESA-N 1 1 318.443 -1.211 20 0 DAADMO C[C@H](CN1CCN2[C@@H](CNS2(=O)=O)C1)C[NH+]1CCOCC1 ZINC001413066961 926008907 /nfs/dbraw/zinc/00/89/07/926008907.db2.gz IVQMFSVNQREELK-STQMWFEESA-N 1 1 318.443 -1.211 20 0 DAADMO COC(=O)[C@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C(=O)OC ZINC001413090794 926010276 /nfs/dbraw/zinc/01/02/76/926010276.db2.gz PZNLOFCCAASSTP-DTORHVGOSA-N 1 1 308.356 -1.570 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C(=O)OC ZINC001413090794 926010283 /nfs/dbraw/zinc/01/02/83/926010283.db2.gz PZNLOFCCAASSTP-DTORHVGOSA-N 1 1 308.356 -1.570 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001413098157 926011211 /nfs/dbraw/zinc/01/12/11/926011211.db2.gz CBHRKVHTHAESET-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001413098157 926011222 /nfs/dbraw/zinc/01/12/22/926011222.db2.gz CBHRKVHTHAESET-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1cn(CC(N)=O)nn1 ZINC001413152803 926012822 /nfs/dbraw/zinc/01/28/22/926012822.db2.gz NSHUBUIXZWCVOG-LBPRGKRZSA-N 1 1 309.418 -1.121 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001413147692 926013108 /nfs/dbraw/zinc/01/31/08/926013108.db2.gz DHITXBVOYQBQNB-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@H](CC[NH+]1CCN(C)CC1)NCc1cn(CC(N)=O)nn1 ZINC001413152799 926013657 /nfs/dbraw/zinc/01/36/57/926013657.db2.gz NSHUBUIXZWCVOG-GFCCVEGCSA-N 1 1 309.418 -1.121 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn[nH]c1 ZINC001413234603 926020893 /nfs/dbraw/zinc/02/08/93/926020893.db2.gz UFTGJYNUXIXMHP-ZYHUDNBSSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413262274 926025549 /nfs/dbraw/zinc/02/55/49/926025549.db2.gz HJHIIBLXSYMTPX-VXGBXAGGSA-N 1 1 324.385 -1.835 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001413330045 926036402 /nfs/dbraw/zinc/03/64/02/926036402.db2.gz DNNKGBOLWJOGHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330045 926036410 /nfs/dbraw/zinc/03/64/10/926036410.db2.gz DNNKGBOLWJOGHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001413330045 926036421 /nfs/dbraw/zinc/03/64/21/926036421.db2.gz DNNKGBOLWJOGHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330045 926036427 /nfs/dbraw/zinc/03/64/27/926036427.db2.gz DNNKGBOLWJOGHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001413330045 926036441 /nfs/dbraw/zinc/03/64/41/926036441.db2.gz DNNKGBOLWJOGHC-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1cnc[nH]1 ZINC001413341238 926038659 /nfs/dbraw/zinc/03/86/59/926038659.db2.gz QCNYFNWFNYFQHD-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001413343873 926040034 /nfs/dbraw/zinc/04/00/34/926040034.db2.gz ROJJLBHWAKHOHZ-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001413343873 926040043 /nfs/dbraw/zinc/04/00/43/926040043.db2.gz ROJJLBHWAKHOHZ-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001413343873 926040053 /nfs/dbraw/zinc/04/00/53/926040053.db2.gz ROJJLBHWAKHOHZ-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001413343873 926040065 /nfs/dbraw/zinc/04/00/65/926040065.db2.gz ROJJLBHWAKHOHZ-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001413343873 926040072 /nfs/dbraw/zinc/04/00/72/926040072.db2.gz ROJJLBHWAKHOHZ-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001413346078 926040188 /nfs/dbraw/zinc/04/01/88/926040188.db2.gz OQIYKYOYBGTXTI-RBZYPMLTSA-N 1 1 312.370 -2.122 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cncn1 ZINC001413355953 926042318 /nfs/dbraw/zinc/04/23/18/926042318.db2.gz LAUVQXNINSTACF-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)C1=NN(CCO)C(=O)CC1 ZINC001413417501 926050352 /nfs/dbraw/zinc/05/03/52/926050352.db2.gz CDRQLNDJPLNSHU-CYBMUJFWSA-N 1 1 314.342 -2.576 20 0 DAADMO CC[C@H](O)Cn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)nn1 ZINC001413417774 926051067 /nfs/dbraw/zinc/05/10/67/926051067.db2.gz DVDWNGBJEQKBAA-GXFFZTMASA-N 1 1 313.358 -1.870 20 0 DAADMO CO[C@]1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CCS(=O)(=O)C1 ZINC001413418635 926051347 /nfs/dbraw/zinc/05/13/47/926051347.db2.gz FQVMLQPCNHSMIA-VXGBXAGGSA-N 1 1 322.383 -2.343 20 0 DAADMO CC[C@@H](O)Cn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)nn1 ZINC001413417781 926051383 /nfs/dbraw/zinc/05/13/83/926051383.db2.gz DVDWNGBJEQKBAA-ZWNOBZJWSA-N 1 1 313.358 -1.870 20 0 DAADMO CNc1nnc(CC(=O)NC[C@@]2(CO)COCC[NH2+]2)s1 ZINC001413419930 926051449 /nfs/dbraw/zinc/05/14/49/926051449.db2.gz JTCGFXYWASRZKM-LLVKDONJSA-N 1 1 301.372 -1.411 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cnc2c(c1)NC(=O)CO2 ZINC001413425912 926051620 /nfs/dbraw/zinc/05/16/20/926051620.db2.gz YUWPTESHIXIOQW-CQSZACIVSA-N 1 1 322.321 -1.507 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cnc2c(c1)NC(=O)CO2 ZINC001413425904 926052150 /nfs/dbraw/zinc/05/21/50/926052150.db2.gz YUWPTESHIXIOQW-AWEZNQCLSA-N 1 1 322.321 -1.507 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001413420164 926052514 /nfs/dbraw/zinc/05/25/14/926052514.db2.gz LGQVRVOEILFHFI-LLVKDONJSA-N 1 1 310.372 -2.485 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001413477058 926058391 /nfs/dbraw/zinc/05/83/91/926058391.db2.gz NKTVXHOSRNAGEQ-CQSZACIVSA-N 1 1 322.369 -1.516 20 0 DAADMO CN(CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)S(C)(=O)=O ZINC001413496911 926060796 /nfs/dbraw/zinc/06/07/96/926060796.db2.gz ZGHJWZZIZRTELY-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC001413574974 926064641 /nfs/dbraw/zinc/06/46/41/926064641.db2.gz PSXDQALKPARJTF-UHFFFAOYSA-N 1 1 317.367 -1.307 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC001413574974 926064653 /nfs/dbraw/zinc/06/46/53/926064653.db2.gz PSXDQALKPARJTF-UHFFFAOYSA-N 1 1 317.367 -1.307 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587355 926065097 /nfs/dbraw/zinc/06/50/97/926065097.db2.gz HGWRKOHEDHKVAC-KOLCDFICSA-N 1 1 305.400 -1.231 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587355 926065104 /nfs/dbraw/zinc/06/51/04/926065104.db2.gz HGWRKOHEDHKVAC-KOLCDFICSA-N 1 1 305.400 -1.231 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001413631046 926066888 /nfs/dbraw/zinc/06/68/88/926066888.db2.gz CIJLMQDDJAXNFC-MRVPVSSYSA-N 1 1 311.346 -1.305 20 0 DAADMO CNC(=O)c1n[nH]nc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001413631046 926066894 /nfs/dbraw/zinc/06/68/94/926066894.db2.gz CIJLMQDDJAXNFC-MRVPVSSYSA-N 1 1 311.346 -1.305 20 0 DAADMO Cn1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C(N)=O)n1 ZINC001413633755 926068828 /nfs/dbraw/zinc/06/88/28/926068828.db2.gz PVHZJQLJHZFIJL-SECBINFHSA-N 1 1 309.374 -1.114 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CNC(=O)C2)CC1 ZINC001413687400 926069347 /nfs/dbraw/zinc/06/93/47/926069347.db2.gz RRSCFYPUSSNZKE-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001413727405 926071710 /nfs/dbraw/zinc/07/17/10/926071710.db2.gz LYRYGFWOXZAMTP-AGIUHOORSA-N 1 1 324.385 -1.199 20 0 DAADMO C[C@H](CNC(=O)N1C[C@@H](O)[C@H](CO)C1)CN1CC[NH+](C)CC1 ZINC001413731248 926073430 /nfs/dbraw/zinc/07/34/30/926073430.db2.gz VFHIAWIRBDCHFR-HZSPNIEDSA-N 1 1 314.430 -1.136 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001413810034 926077435 /nfs/dbraw/zinc/07/74/35/926077435.db2.gz HQUANIZEGKTFIS-FIQHERPVSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001413810038 926077635 /nfs/dbraw/zinc/07/76/35/926077635.db2.gz HQUANIZEGKTFIS-NNYUYHANSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@H](O)c1cn(C2CN(C(=O)CN3CC[NH+](C)CC3)C2)nn1 ZINC001413852967 926080737 /nfs/dbraw/zinc/08/07/37/926080737.db2.gz ZBHHCILJHJERLX-NSHDSACASA-N 1 1 308.386 -1.038 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@H]1C(N)=O ZINC001413858266 926080858 /nfs/dbraw/zinc/08/08/58/926080858.db2.gz MXVNCQUNFYLSPC-GMTAPVOTSA-N 1 1 309.370 -2.579 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccn2)C1 ZINC001413943640 926084827 /nfs/dbraw/zinc/08/48/27/926084827.db2.gz CGKQSEJIOIUMCJ-CHWSQXEVSA-N 1 1 323.397 -1.087 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC001413956408 926086576 /nfs/dbraw/zinc/08/65/76/926086576.db2.gz RDPOEBWYFJNRAZ-LLVKDONJSA-N 1 1 305.400 -1.154 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)S(N)(=O)=O ZINC001413955666 926086682 /nfs/dbraw/zinc/08/66/82/926086682.db2.gz LJECXQQZSUHSHB-VWYCJHECSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)S(N)(=O)=O ZINC001413955666 926086691 /nfs/dbraw/zinc/08/66/91/926086691.db2.gz LJECXQQZSUHSHB-VWYCJHECSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)S(N)(=O)=O ZINC001413955666 926086698 /nfs/dbraw/zinc/08/66/98/926086698.db2.gz LJECXQQZSUHSHB-VWYCJHECSA-N 1 1 321.447 -1.403 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC001413958051 926087628 /nfs/dbraw/zinc/08/76/28/926087628.db2.gz UOTHIRDOCSBKPT-LLVKDONJSA-N 1 1 317.411 -1.012 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCn3c(CO)nnc3C2)CC1 ZINC001413960223 926088169 /nfs/dbraw/zinc/08/81/69/926088169.db2.gz YKYNMZNHUREXKI-UHFFFAOYSA-N 1 1 308.386 -1.250 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1COC[C@H]1O ZINC001413960434 926088317 /nfs/dbraw/zinc/08/83/17/926088317.db2.gz WLCFVJMEWJCNTD-GHMZBOCLSA-N 1 1 301.343 -1.506 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1COC[C@H]1O ZINC001413960434 926088324 /nfs/dbraw/zinc/08/83/24/926088324.db2.gz WLCFVJMEWJCNTD-GHMZBOCLSA-N 1 1 301.343 -1.506 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@@](C)(O)C(=O)OC ZINC001413997749 926093636 /nfs/dbraw/zinc/09/36/36/926093636.db2.gz FAHCGSCTVQFLIS-NOZJJQNGSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC001413997749 926093642 /nfs/dbraw/zinc/09/36/42/926093642.db2.gz FAHCGSCTVQFLIS-NOZJJQNGSA-N 1 1 302.327 -1.336 20 0 DAADMO C[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)CC1(O)CCOCC1 ZINC001413985876 926093763 /nfs/dbraw/zinc/09/37/63/926093763.db2.gz ZZDHQRFLQHAVTL-UHFFFAOYSA-N 1 1 308.342 -1.027 20 0 DAADMO COC(=O)[C@@H]1CN(CCS(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC001414002682 926094103 /nfs/dbraw/zinc/09/41/03/926094103.db2.gz ZOKGJWOFJUFFRP-NSHDSACASA-N 1 1 307.416 -1.086 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001414033270 926097538 /nfs/dbraw/zinc/09/75/38/926097538.db2.gz MPDQPXBARAMOLR-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001414033270 926097545 /nfs/dbraw/zinc/09/75/45/926097545.db2.gz MPDQPXBARAMOLR-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2CCOC[C@@]2(CO)C1 ZINC001414040328 926098573 /nfs/dbraw/zinc/09/85/73/926098573.db2.gz XXTWGCSGIHTTIM-CABCVRRESA-N 1 1 317.430 -1.696 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN2CCOC[C@@]2(CO)C1 ZINC001414040331 926098838 /nfs/dbraw/zinc/09/88/38/926098838.db2.gz XXTWGCSGIHTTIM-GJZGRUSLSA-N 1 1 317.430 -1.696 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2CCOC[C@]2(CO)C1 ZINC001414040334 926099175 /nfs/dbraw/zinc/09/91/75/926099175.db2.gz XXTWGCSGIHTTIM-HUUCEWRRSA-N 1 1 317.430 -1.696 20 0 DAADMO CS(=O)(=O)N1CC(C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)C1 ZINC001414040461 926099298 /nfs/dbraw/zinc/09/92/98/926099298.db2.gz YNBIKXSNEBRZOO-ZDUSSCGKSA-N 1 1 319.427 -1.743 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCN3CCOC[C@@]3(CO)C2)C1 ZINC001414040461 926099305 /nfs/dbraw/zinc/09/93/05/926099305.db2.gz YNBIKXSNEBRZOO-ZDUSSCGKSA-N 1 1 319.427 -1.743 20 0 DAADMO CS(=O)(=O)N1CC(C[N@@H+]2CCN3CCOC[C@]3(CO)C2)C1 ZINC001414040453 926099992 /nfs/dbraw/zinc/09/99/92/926099992.db2.gz YNBIKXSNEBRZOO-CYBMUJFWSA-N 1 1 319.427 -1.743 20 0 DAADMO CS(=O)(=O)N1CC(C[N@H+]2CCN3CCOC[C@]3(CO)C2)C1 ZINC001414040453 926100000 /nfs/dbraw/zinc/10/00/00/926100000.db2.gz YNBIKXSNEBRZOO-CYBMUJFWSA-N 1 1 319.427 -1.743 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001414048749 926102548 /nfs/dbraw/zinc/10/25/48/926102548.db2.gz LBVHIDFCUUKHML-UTUOFQBUSA-N 1 1 312.370 -2.238 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001414048747 926102991 /nfs/dbraw/zinc/10/29/91/926102991.db2.gz LBVHIDFCUUKHML-TUAOUCFPSA-N 1 1 312.370 -2.238 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)n[nH]1 ZINC001414047189 926103030 /nfs/dbraw/zinc/10/30/30/926103030.db2.gz BGVFDJJGTBTTNL-MNOVXSKESA-N 1 1 324.385 -1.705 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001414071561 926106048 /nfs/dbraw/zinc/10/60/48/926106048.db2.gz UVFCSIXRIXJZPK-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO COC(=O)C[C@@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCCOC1 ZINC001414149133 926108788 /nfs/dbraw/zinc/10/87/88/926108788.db2.gz WTPPPAWTPRZOBI-ZDUSSCGKSA-N 1 1 311.342 -1.035 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Nc1n[nH]nc1C(=O)NC1CC1 ZINC001414512873 926128202 /nfs/dbraw/zinc/12/82/02/926128202.db2.gz KRQWSHCTZCHSLI-UHFFFAOYSA-N 1 1 311.346 -1.258 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001414507170 926128404 /nfs/dbraw/zinc/12/84/04/926128404.db2.gz HMNIURWKORCKRD-UHFFFAOYSA-N 1 1 309.374 -1.314 20 0 DAADMO CNC(=O)NCC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001414508606 926129135 /nfs/dbraw/zinc/12/91/35/926129135.db2.gz RLHHPLFFLZVPGF-NSHDSACASA-N 1 1 311.386 -1.462 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC001414531176 926130123 /nfs/dbraw/zinc/13/01/23/926130123.db2.gz BDLQDROIDKAQTB-ZYHUDNBSSA-N 1 1 305.400 -1.213 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001414558510 926132095 /nfs/dbraw/zinc/13/20/95/926132095.db2.gz FZXQQPSXNZTHRP-VHSXEESVSA-N 1 1 318.399 -1.468 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001414553826 926132331 /nfs/dbraw/zinc/13/23/31/926132331.db2.gz GBMWWBJKDVAYMZ-NEPJUHHUSA-N 1 1 312.418 -1.055 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001414557227 926132452 /nfs/dbraw/zinc/13/24/52/926132452.db2.gz APIIHFKCDNHKAI-QWRGUYRKSA-N 1 1 320.415 -1.221 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001414558500 926132734 /nfs/dbraw/zinc/13/27/34/926132734.db2.gz FZXQQPSXNZTHRP-NXEZZACHSA-N 1 1 318.399 -1.468 20 0 DAADMO Cn1cnc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001414582138 926134572 /nfs/dbraw/zinc/13/45/72/926134572.db2.gz LVAGDQDWSIUHLI-SMDDNHRTSA-N 1 1 324.385 -1.160 20 0 DAADMO CS(=O)(=O)NC1CC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC001414616244 926135747 /nfs/dbraw/zinc/13/57/47/926135747.db2.gz IPBXUZBYDCJVCC-VQXHTEKXSA-N 1 1 320.415 -1.568 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCc1nnc2n1CCOC2 ZINC001414619560 926136948 /nfs/dbraw/zinc/13/69/48/926136948.db2.gz UMPUSBPHQXXGOM-UHFFFAOYSA-N 1 1 312.374 -1.078 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001414789081 926146900 /nfs/dbraw/zinc/14/69/00/926146900.db2.gz RQITWVICHBNHOX-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001414791722 926147986 /nfs/dbraw/zinc/14/79/86/926147986.db2.gz WVGBUSLAEUVPDZ-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001415047903 926157954 /nfs/dbraw/zinc/15/79/54/926157954.db2.gz BMHXOQASZRHESU-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001415047903 926157960 /nfs/dbraw/zinc/15/79/60/926157960.db2.gz BMHXOQASZRHESU-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415056470 926157976 /nfs/dbraw/zinc/15/79/76/926157976.db2.gz FTZMJEKPVAPGEA-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415056470 926157982 /nfs/dbraw/zinc/15/79/82/926157982.db2.gz FTZMJEKPVAPGEA-KZVDOYCCSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001415063843 926159717 /nfs/dbraw/zinc/15/97/17/926159717.db2.gz PXZCYAMBTSZRIR-RNWYCLNJSA-N 1 1 323.397 -1.432 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CCn1cnnn1 ZINC001415135483 926163583 /nfs/dbraw/zinc/16/35/83/926163583.db2.gz YVNFNKLKIWRFKR-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001415131286 926164083 /nfs/dbraw/zinc/16/40/83/926164083.db2.gz CRTXUHQAVQVCKO-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ccnn1C ZINC001415131286 926164089 /nfs/dbraw/zinc/16/40/89/926164089.db2.gz CRTXUHQAVQVCKO-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134793 926164120 /nfs/dbraw/zinc/16/41/20/926164120.db2.gz VPXIQGXTGWJLAT-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134793 926164127 /nfs/dbraw/zinc/16/41/27/926164127.db2.gz VPXIQGXTGWJLAT-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001415155362 926165698 /nfs/dbraw/zinc/16/56/98/926165698.db2.gz OACNFAMDEBPXPF-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001415155362 926165702 /nfs/dbraw/zinc/16/57/02/926165702.db2.gz OACNFAMDEBPXPF-PWSUYJOCSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001415155364 926166076 /nfs/dbraw/zinc/16/60/76/926166076.db2.gz OACNFAMDEBPXPF-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001415155364 926166080 /nfs/dbraw/zinc/16/60/80/926166080.db2.gz OACNFAMDEBPXPF-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001415151766 926166108 /nfs/dbraw/zinc/16/61/08/926166108.db2.gz KUBIKDYPJGVJTH-WPRPVWTQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)n1C ZINC001415167022 926166822 /nfs/dbraw/zinc/16/68/22/926166822.db2.gz YBIZMSVYIPRKEV-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001415234625 926172190 /nfs/dbraw/zinc/17/21/90/926172190.db2.gz UALRWCOAUDUUIA-LBPRGKRZSA-N 1 1 310.398 -1.667 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001415390679 926178724 /nfs/dbraw/zinc/17/87/24/926178724.db2.gz NDJOGMAQBGWQPO-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001415463568 926184085 /nfs/dbraw/zinc/18/40/85/926184085.db2.gz ABQFFSJFYALDNC-VXGBXAGGSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@H](C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001415463568 926184092 /nfs/dbraw/zinc/18/40/92/926184092.db2.gz ABQFFSJFYALDNC-VXGBXAGGSA-N 1 1 324.385 -1.256 20 0 DAADMO CN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415488017 926186286 /nfs/dbraw/zinc/18/62/86/926186286.db2.gz ODDHELBFFHQIAU-JTQLQIEISA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415488017 926186292 /nfs/dbraw/zinc/18/62/92/926186292.db2.gz ODDHELBFFHQIAU-JTQLQIEISA-N 1 1 310.358 -1.666 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001415552554 926193074 /nfs/dbraw/zinc/19/30/74/926193074.db2.gz KMPKMPRCUTWBNM-SNVBAGLBSA-N 1 1 308.342 -1.552 20 0 DAADMO CN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415573474 926193573 /nfs/dbraw/zinc/19/35/73/926193573.db2.gz MKMOMESAODPAFT-MNOVXSKESA-N 1 1 311.386 -1.464 20 0 DAADMO CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415582341 926195221 /nfs/dbraw/zinc/19/52/21/926195221.db2.gz QLKCTBNNOAZYJS-XQHKEYJVSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415582341 926195228 /nfs/dbraw/zinc/19/52/28/926195228.db2.gz QLKCTBNNOAZYJS-XQHKEYJVSA-N 1 1 311.382 -1.216 20 0 DAADMO CN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415591810 926196782 /nfs/dbraw/zinc/19/67/82/926196782.db2.gz JUQQPBPPGUQBJL-NSHDSACASA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415591810 926196784 /nfs/dbraw/zinc/19/67/84/926196784.db2.gz JUQQPBPPGUQBJL-NSHDSACASA-N 1 1 309.370 -1.143 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)Cn1cc[nH+]c1C ZINC001415638922 926199326 /nfs/dbraw/zinc/19/93/26/926199326.db2.gz AJKUNHKZZLLNTI-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001415674396 926200856 /nfs/dbraw/zinc/20/08/56/926200856.db2.gz XZQNKMKUJMRQHQ-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)Cn1cnnn1 ZINC001415695889 926202445 /nfs/dbraw/zinc/20/24/45/926202445.db2.gz RFKMBVFXOZJEDF-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001415970341 926211076 /nfs/dbraw/zinc/21/10/76/926211076.db2.gz PWCSYCIIUNBSMN-BXKDBHETSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001415970341 926211091 /nfs/dbraw/zinc/21/10/91/926211091.db2.gz PWCSYCIIUNBSMN-BXKDBHETSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)NC(N)=O ZINC001415977793 926211490 /nfs/dbraw/zinc/21/14/90/926211490.db2.gz KDMLHGQNOPUXJM-MWLCHTKSSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NCCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001415988826 926213309 /nfs/dbraw/zinc/21/33/09/926213309.db2.gz NNSCCBIRESEKTR-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001415988362 926213403 /nfs/dbraw/zinc/21/34/03/926213403.db2.gz IIKVVHNPDMNGTD-UWVGGRQHSA-N 1 1 311.386 -1.146 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001416038956 926220775 /nfs/dbraw/zinc/22/07/75/926220775.db2.gz KQGPMSOKVBWNBG-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001416125378 926230263 /nfs/dbraw/zinc/23/02/63/926230263.db2.gz BKVZJOBODFPMGG-JTQLQIEISA-N 1 1 311.386 -1.429 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001416135075 926231194 /nfs/dbraw/zinc/23/11/94/926231194.db2.gz DPXXMOQRPJGUBQ-RYUDHWBXSA-N 1 1 321.385 -1.175 20 0 DAADMO CC[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001416278340 926236203 /nfs/dbraw/zinc/23/62/03/926236203.db2.gz MBONQZOLCOQRES-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416475523 926240913 /nfs/dbraw/zinc/24/09/13/926240913.db2.gz UIFYVEZWMOBOEL-QWRGUYRKSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416475524 926241726 /nfs/dbraw/zinc/24/17/26/926241726.db2.gz UIFYVEZWMOBOEL-WDEREUQCSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416475522 926241761 /nfs/dbraw/zinc/24/17/61/926241761.db2.gz UIFYVEZWMOBOEL-MNOVXSKESA-N 1 1 313.402 -1.135 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnon1 ZINC001416646814 926244911 /nfs/dbraw/zinc/24/49/11/926244911.db2.gz JAUCZWNNZLRXNH-NSHDSACASA-N 1 1 311.342 -1.069 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnon1 ZINC001416646814 926244917 /nfs/dbraw/zinc/24/49/17/926244917.db2.gz JAUCZWNNZLRXNH-NSHDSACASA-N 1 1 311.342 -1.069 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001416705206 926246997 /nfs/dbraw/zinc/24/69/97/926246997.db2.gz GMNMCSZYWHSKRK-WCQYABFASA-N 1 1 324.381 -1.006 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001416714307 926248066 /nfs/dbraw/zinc/24/80/66/926248066.db2.gz ZLANDDMCRAXKFT-SRVKXCTJSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724014 926249891 /nfs/dbraw/zinc/24/98/91/926249891.db2.gz CXQXAHYMHLJGMU-ZYHUDNBSSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724014 926249900 /nfs/dbraw/zinc/24/99/00/926249900.db2.gz CXQXAHYMHLJGMU-ZYHUDNBSSA-N 1 1 310.354 -1.448 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001416730048 926253321 /nfs/dbraw/zinc/25/33/21/926253321.db2.gz JLQICZYAJMMKMX-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001416733333 926253875 /nfs/dbraw/zinc/25/38/75/926253875.db2.gz FOFIUJJHFKEUQR-WDEREUQCSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001416733331 926254961 /nfs/dbraw/zinc/25/49/61/926254961.db2.gz FOFIUJJHFKEUQR-QWRGUYRKSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001416738582 926257124 /nfs/dbraw/zinc/25/71/24/926257124.db2.gz FMIHZFPSKWYSIB-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001416740422 926258464 /nfs/dbraw/zinc/25/84/64/926258464.db2.gz KIPAWYMSXCHDNL-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416742240 926259485 /nfs/dbraw/zinc/25/94/85/926259485.db2.gz ZSHQVDUYVGDOEB-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416742240 926259494 /nfs/dbraw/zinc/25/94/94/926259494.db2.gz ZSHQVDUYVGDOEB-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416742505 926259653 /nfs/dbraw/zinc/25/96/53/926259653.db2.gz MRBLQOLANVFGIS-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001416741240 926259721 /nfs/dbraw/zinc/25/97/21/926259721.db2.gz LMTYEDQFFRBXTA-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)c1N ZINC001416747170 926262696 /nfs/dbraw/zinc/26/26/96/926262696.db2.gz ZVUXQOZXSJFWFK-KOLCDFICSA-N 1 1 324.385 -1.697 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccncn2)C1 ZINC001416757836 926265617 /nfs/dbraw/zinc/26/56/17/926265617.db2.gz KDQDZLWYUHZIBS-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H](O)C(C)C ZINC001416755355 926266088 /nfs/dbraw/zinc/26/60/88/926266088.db2.gz RDJMVOUUGJWYFF-DGCLKSJQSA-N 1 1 312.370 -1.198 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001416755031 926266386 /nfs/dbraw/zinc/26/63/86/926266386.db2.gz QBHXUZAFDRJGJV-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001416759237 926266914 /nfs/dbraw/zinc/26/69/14/926266914.db2.gz FBIOPDQFAILJQJ-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)n[nH]1 ZINC001416762550 926269797 /nfs/dbraw/zinc/26/97/97/926269797.db2.gz MJULUTMSPROKEF-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001416771633 926270722 /nfs/dbraw/zinc/27/07/22/926270722.db2.gz UOXDMGHHASLUBN-NSHDSACASA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001416771632 926271461 /nfs/dbraw/zinc/27/14/61/926271461.db2.gz UOXDMGHHASLUBN-LLVKDONJSA-N 1 1 324.385 -1.196 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)CCC1 ZINC001416769810 926271574 /nfs/dbraw/zinc/27/15/74/926271574.db2.gz OJXIWSDHYUDPBB-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)CCC1 ZINC001416769810 926271583 /nfs/dbraw/zinc/27/15/83/926271583.db2.gz OJXIWSDHYUDPBB-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001416772079 926273132 /nfs/dbraw/zinc/27/31/32/926273132.db2.gz OCHBICVOLNPGFL-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2nnc[nH]2)C1 ZINC001416780250 926274469 /nfs/dbraw/zinc/27/44/69/926274469.db2.gz XEDHYRZPVIEMFL-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001416780250 926274477 /nfs/dbraw/zinc/27/44/77/926274477.db2.gz XEDHYRZPVIEMFL-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ncn[nH]2)C1 ZINC001416780250 926274484 /nfs/dbraw/zinc/27/44/84/926274484.db2.gz XEDHYRZPVIEMFL-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001416780250 926274490 /nfs/dbraw/zinc/27/44/90/926274490.db2.gz XEDHYRZPVIEMFL-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2nc[nH]n2)C1 ZINC001416780250 926274500 /nfs/dbraw/zinc/27/45/00/926274500.db2.gz XEDHYRZPVIEMFL-JTQLQIEISA-N 1 1 324.385 -1.257 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001416778353 926274548 /nfs/dbraw/zinc/27/45/48/926274548.db2.gz PJBRDMPGECJANP-VIFPVBQESA-N 1 1 313.362 -2.241 20 0 DAADMO C[C@H]1CCN(CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783466 926274578 /nfs/dbraw/zinc/27/45/78/926274578.db2.gz XGQUQRHBQLHCDF-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001416779528 926274672 /nfs/dbraw/zinc/27/46/72/926274672.db2.gz ROEQURANJIYAOP-LBPRGKRZSA-N 1 1 321.381 -1.359 20 0 DAADMO C[C@H]1CCN(CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783468 926275092 /nfs/dbraw/zinc/27/50/92/926275092.db2.gz XGQUQRHBQLHCDF-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO C[C@@H]1CCN(CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001416783457 926275187 /nfs/dbraw/zinc/27/51/87/926275187.db2.gz XGQUQRHBQLHCDF-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001416818469 926278906 /nfs/dbraw/zinc/27/89/06/926278906.db2.gz XKPLGLDPWBJVSX-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001416818469 926278914 /nfs/dbraw/zinc/27/89/14/926278914.db2.gz XKPLGLDPWBJVSX-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001416847888 926280722 /nfs/dbraw/zinc/28/07/22/926280722.db2.gz MDTVASYFIQXSOC-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416881680 926284566 /nfs/dbraw/zinc/28/45/66/926284566.db2.gz QSFZTJOCWSWEQG-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416881680 926284576 /nfs/dbraw/zinc/28/45/76/926284576.db2.gz QSFZTJOCWSWEQG-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001416897396 926285462 /nfs/dbraw/zinc/28/54/62/926285462.db2.gz ZIZQOWRLDRTOSW-GDPRMGEGSA-N 1 1 307.354 -1.066 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001416900033 926285795 /nfs/dbraw/zinc/28/57/95/926285795.db2.gz YDJUAIYRUMPZOE-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(NC(N)=O)CC2)C1 ZINC001417038332 926296569 /nfs/dbraw/zinc/29/65/69/926296569.db2.gz YYDRBSNDPSKYFJ-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067120 926297320 /nfs/dbraw/zinc/29/73/20/926297320.db2.gz IFHSEYSUWSEGLI-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067120 926297330 /nfs/dbraw/zinc/29/73/30/926297330.db2.gz IFHSEYSUWSEGLI-NEPJUHHUSA-N 1 1 321.381 -1.000 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC001417066907 926298235 /nfs/dbraw/zinc/29/82/35/926298235.db2.gz VLIYFLJHLJKKHG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067121 926298418 /nfs/dbraw/zinc/29/84/18/926298418.db2.gz IFHSEYSUWSEGLI-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)Cc2ncc[nH]2)C1 ZINC001417067121 926298424 /nfs/dbraw/zinc/29/84/24/926298424.db2.gz IFHSEYSUWSEGLI-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001417116999 926301140 /nfs/dbraw/zinc/30/11/40/926301140.db2.gz YKSKGXCPLOTFIU-OUAUKWLOSA-N 1 1 308.382 -1.033 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001417137759 926302099 /nfs/dbraw/zinc/30/20/99/926302099.db2.gz MZQCRTHXBVWSLX-MXWKQRLJSA-N 1 1 308.382 -1.176 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001417137758 926303144 /nfs/dbraw/zinc/30/31/44/926303144.db2.gz MZQCRTHXBVWSLX-AXFHLTTASA-N 1 1 308.382 -1.176 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(NC(=O)Cn2cnnn2)CC1 ZINC001417164549 926304288 /nfs/dbraw/zinc/30/42/88/926304288.db2.gz DAOVBAFOPDUDJS-LLVKDONJSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C(=O)CS(C)(=O)=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417237878 926307583 /nfs/dbraw/zinc/30/75/83/926307583.db2.gz GQRYVBQLNWSCIX-JTQLQIEISA-N 1 1 317.411 -1.348 20 0 DAADMO CN(C(=O)CCNC(N)=O)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001417250267 926309791 /nfs/dbraw/zinc/30/97/91/926309791.db2.gz VOZABVZMLZYQRH-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001417309120 926312953 /nfs/dbraw/zinc/31/29/53/926312953.db2.gz SJYCEVQYLKWMCQ-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001417429166 926314758 /nfs/dbraw/zinc/31/47/58/926314758.db2.gz OYQUAPSGILHQEJ-SMDDNHRTSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001417429166 926314766 /nfs/dbraw/zinc/31/47/66/926314766.db2.gz OYQUAPSGILHQEJ-SMDDNHRTSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001417629316 926322707 /nfs/dbraw/zinc/32/27/07/926322707.db2.gz UAAHGDOSJFFCLI-GXSJLCMTSA-N 1 1 311.386 -1.016 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001417648183 926323851 /nfs/dbraw/zinc/32/38/51/926323851.db2.gz CZNDLPJWWUEUMQ-PWSUYJOCSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001417648183 926323870 /nfs/dbraw/zinc/32/38/70/926323870.db2.gz CZNDLPJWWUEUMQ-PWSUYJOCSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001417648183 926323881 /nfs/dbraw/zinc/32/38/81/926323881.db2.gz CZNDLPJWWUEUMQ-PWSUYJOCSA-N 1 1 313.402 -2.011 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](O)C(=O)OC)C1 ZINC001417701660 926329133 /nfs/dbraw/zinc/32/91/33/926329133.db2.gz SNUQKACKALSSQP-MNOVXSKESA-N 1 1 316.354 -1.088 20 0 DAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](O)C(=O)OC)C1 ZINC001417701660 926329137 /nfs/dbraw/zinc/32/91/37/926329137.db2.gz SNUQKACKALSSQP-MNOVXSKESA-N 1 1 316.354 -1.088 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](C)O ZINC001417738110 926333676 /nfs/dbraw/zinc/33/36/76/926333676.db2.gz TXSCPWTYUDXWSP-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001417749157 926335141 /nfs/dbraw/zinc/33/51/41/926335141.db2.gz JWSHAJQVUXBKAW-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001417764064 926335368 /nfs/dbraw/zinc/33/53/68/926335368.db2.gz FBRXFIJOTVXLBZ-XHNCKOQMSA-N 1 1 310.362 -1.749 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001417750848 926335724 /nfs/dbraw/zinc/33/57/24/926335724.db2.gz JFVAXXNVQZISGD-PHIMTYICSA-N 1 1 309.374 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001417797329 926336531 /nfs/dbraw/zinc/33/65/31/926336531.db2.gz GNBKDNFVZLSNOX-KYZUINATSA-N 1 1 305.346 -1.445 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001417783370 926337117 /nfs/dbraw/zinc/33/71/17/926337117.db2.gz LMDXQSRPLMLGOD-KYZUINATSA-N 1 1 311.346 -1.450 20 0 DAADMO C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001417786490 926337795 /nfs/dbraw/zinc/33/77/95/926337795.db2.gz AGBPOTDYAHROSH-GUBZILKMSA-N 1 1 324.389 -1.359 20 0 DAADMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001417817370 926339280 /nfs/dbraw/zinc/33/92/80/926339280.db2.gz NRBIIJNVLSQNLN-NSHDSACASA-N 1 1 309.370 -1.406 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417839669 926340605 /nfs/dbraw/zinc/34/06/05/926340605.db2.gz HOWRSGFYJLGHEL-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417839669 926340613 /nfs/dbraw/zinc/34/06/13/926340613.db2.gz HOWRSGFYJLGHEL-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnsn2)CC1 ZINC001417860641 926340864 /nfs/dbraw/zinc/34/08/64/926340864.db2.gz DEOHORZZWNUBNY-UHFFFAOYSA-N 1 1 313.383 -1.078 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417840223 926341008 /nfs/dbraw/zinc/34/10/08/926341008.db2.gz HOWRSGFYJLGHEL-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417840223 926341018 /nfs/dbraw/zinc/34/10/18/926341018.db2.gz HOWRSGFYJLGHEL-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001417834017 926341172 /nfs/dbraw/zinc/34/11/72/926341172.db2.gz YAZNCJOHMNHUQR-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001417834017 926341179 /nfs/dbraw/zinc/34/11/79/926341179.db2.gz YAZNCJOHMNHUQR-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001417852501 926341481 /nfs/dbraw/zinc/34/14/81/926341481.db2.gz UOTBSQXZDOLFEH-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001417852501 926341491 /nfs/dbraw/zinc/34/14/91/926341491.db2.gz UOTBSQXZDOLFEH-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COC)[C@@H]1C ZINC001417846568 926341843 /nfs/dbraw/zinc/34/18/43/926341843.db2.gz ZOOPYSOWZOVQHG-UTUOFQBUSA-N 1 1 316.402 -1.108 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001417848772 926341929 /nfs/dbraw/zinc/34/19/29/926341929.db2.gz HMKXWIXSZYQWDO-ZJUUUORDSA-N 1 1 308.404 -1.998 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)[C@H]1C ZINC001417850274 926342126 /nfs/dbraw/zinc/34/21/26/926342126.db2.gz DAHIJFOONAZIFP-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)[C@H]1C ZINC001417850274 926342134 /nfs/dbraw/zinc/34/21/34/926342134.db2.gz DAHIJFOONAZIFP-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(C)=O)CC1 ZINC001417862837 926343484 /nfs/dbraw/zinc/34/34/84/926343484.db2.gz KKPGOFQHRPSPTC-UHFFFAOYSA-N 1 1 300.359 -1.253 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001417895798 926344278 /nfs/dbraw/zinc/34/42/78/926344278.db2.gz NEZAUTHAMOBPEG-UHFFFAOYSA-N 1 1 314.386 -1.501 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001417905461 926344565 /nfs/dbraw/zinc/34/45/65/926344565.db2.gz MLHQPMHMEIHYHS-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001417910359 926346887 /nfs/dbraw/zinc/34/68/87/926346887.db2.gz MAUWEYSWATUXAS-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001417910359 926346892 /nfs/dbraw/zinc/34/68/92/926346892.db2.gz MAUWEYSWATUXAS-VXGBXAGGSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001417913052 926347056 /nfs/dbraw/zinc/34/70/56/926347056.db2.gz SORYKDGODKYZEY-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001417913052 926347064 /nfs/dbraw/zinc/34/70/64/926347064.db2.gz SORYKDGODKYZEY-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCF)C1 ZINC001417937354 926350675 /nfs/dbraw/zinc/35/06/75/926350675.db2.gz AAFWJXLNHDSLOT-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417946063 926352166 /nfs/dbraw/zinc/35/21/66/926352166.db2.gz VABWEOKMFHZXGK-IUCAKERBSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001417946063 926352173 /nfs/dbraw/zinc/35/21/73/926352173.db2.gz VABWEOKMFHZXGK-IUCAKERBSA-N 1 1 306.388 -1.881 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001417942216 926353352 /nfs/dbraw/zinc/35/33/52/926353352.db2.gz ZSBCFIOYLGQKRU-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001417942216 926353361 /nfs/dbraw/zinc/35/33/61/926353361.db2.gz ZSBCFIOYLGQKRU-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001417939646 926353830 /nfs/dbraw/zinc/35/38/30/926353830.db2.gz KPYZGEYTPBZGPJ-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001417946461 926353907 /nfs/dbraw/zinc/35/39/07/926353907.db2.gz PKTDRQSHZSEACL-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001417946461 926353917 /nfs/dbraw/zinc/35/39/17/926353917.db2.gz PKTDRQSHZSEACL-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001417949402 926354137 /nfs/dbraw/zinc/35/41/37/926354137.db2.gz OVSWAMQYEXXLJT-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001417977938 926354354 /nfs/dbraw/zinc/35/43/54/926354354.db2.gz IHLNSPMKUUYEJN-SNVBAGLBSA-N 1 1 324.389 -1.486 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001417964506 926354809 /nfs/dbraw/zinc/35/48/09/926354809.db2.gz HDMUMHVESGEYSF-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnc(CN[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001417969964 926355095 /nfs/dbraw/zinc/35/50/95/926355095.db2.gz BUWBPQMHLPICIQ-NEPJUHHUSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001417969964 926355104 /nfs/dbraw/zinc/35/51/04/926355104.db2.gz BUWBPQMHLPICIQ-NEPJUHHUSA-N 1 1 323.401 -1.475 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)C1 ZINC001417975566 926355222 /nfs/dbraw/zinc/35/52/22/926355222.db2.gz MBZCRERPUGRDTP-LBPRGKRZSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@H](CC(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1)NC(N)=O ZINC001417974565 926355371 /nfs/dbraw/zinc/35/53/71/926355371.db2.gz CIVLGMUZISZWKQ-SCZZXKLOSA-N 1 1 324.389 -1.359 20 0 DAADMO Cn1nnc(CN[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001417969969 926355516 /nfs/dbraw/zinc/35/55/16/926355516.db2.gz BUWBPQMHLPICIQ-RYUDHWBXSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CN[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001417969969 926355524 /nfs/dbraw/zinc/35/55/24/926355524.db2.gz BUWBPQMHLPICIQ-RYUDHWBXSA-N 1 1 323.401 -1.475 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)C1 ZINC001417975561 926356375 /nfs/dbraw/zinc/35/63/75/926356375.db2.gz MBZCRERPUGRDTP-GFCCVEGCSA-N 1 1 321.385 -1.327 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cnn(C)n1)C1CC1 ZINC001417989701 926357443 /nfs/dbraw/zinc/35/74/43/926357443.db2.gz KVJJRUHDQUFIJO-NSHDSACASA-N 1 1 309.374 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001418060676 926361282 /nfs/dbraw/zinc/36/12/82/926361282.db2.gz WDDMKZLIGYSOIC-KYZUINATSA-N 1 1 322.373 -1.326 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)NC)C1 ZINC001418056946 926361914 /nfs/dbraw/zinc/36/19/14/926361914.db2.gz BZHXABIKDZZRTM-MGCOHNPYSA-N 1 1 324.389 -1.251 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)C[N@H+]1CCO ZINC001418072138 926363100 /nfs/dbraw/zinc/36/31/00/926363100.db2.gz MFSHSELDJOLRLI-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001418119278 926365798 /nfs/dbraw/zinc/36/57/98/926365798.db2.gz BDPVTTGDQPCGLH-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001418123504 926367112 /nfs/dbraw/zinc/36/71/12/926367112.db2.gz NKBKBHKDXXOPBQ-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001418173791 926368002 /nfs/dbraw/zinc/36/80/02/926368002.db2.gz RMJOUSAOCAQGMF-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001418173793 926368042 /nfs/dbraw/zinc/36/80/42/926368042.db2.gz RMJOUSAOCAQGMF-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418148960 926368315 /nfs/dbraw/zinc/36/83/15/926368315.db2.gz BLJQKLLZXHHRAQ-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418148960 926368319 /nfs/dbraw/zinc/36/83/19/926368319.db2.gz BLJQKLLZXHHRAQ-JTQLQIEISA-N 1 1 323.353 -1.595 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418176309 926369011 /nfs/dbraw/zinc/36/90/11/926369011.db2.gz RDGJRUNKUNLIPQ-GHMZBOCLSA-N 1 1 309.374 -1.235 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001418180971 926369476 /nfs/dbraw/zinc/36/94/76/926369476.db2.gz IVNXOHIGDYVSST-FHUSYTEZSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418176315 926370056 /nfs/dbraw/zinc/37/00/56/926370056.db2.gz RDGJRUNKUNLIPQ-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001418213885 926370118 /nfs/dbraw/zinc/37/01/18/926370118.db2.gz ZDTPNKUYRWQZPI-QMMMGPOBSA-N 1 1 311.346 -1.042 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204554 926370189 /nfs/dbraw/zinc/37/01/89/926370189.db2.gz BCOAGILTWFDKOE-ZYHUDNBSSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204554 926370199 /nfs/dbraw/zinc/37/01/99/926370199.db2.gz BCOAGILTWFDKOE-ZYHUDNBSSA-N 1 1 323.401 -1.067 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001418180547 926370449 /nfs/dbraw/zinc/37/04/49/926370449.db2.gz SDEMMBRDJPXDSF-IIEKFROSSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001418180547 926370458 /nfs/dbraw/zinc/37/04/58/926370458.db2.gz SDEMMBRDJPXDSF-IIEKFROSSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NCC(=O)NC1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001418188083 926370536 /nfs/dbraw/zinc/37/05/36/926370536.db2.gz UYIAUJWEELNFNO-UHFFFAOYSA-N 1 1 324.389 -1.344 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418176319 926371066 /nfs/dbraw/zinc/37/10/66/926371066.db2.gz RDGJRUNKUNLIPQ-WDEREUQCSA-N 1 1 309.374 -1.235 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001418220791 926372692 /nfs/dbraw/zinc/37/26/92/926372692.db2.gz YHASRCGGZRNJCQ-IUCAKERBSA-N 1 1 311.346 -1.214 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](C)[NH2+]CCN2CCNC2=O)n[nH]1 ZINC001418220545 926373007 /nfs/dbraw/zinc/37/30/07/926373007.db2.gz FZOSQYFORHLGAI-VIFPVBQESA-N 1 1 309.374 -1.225 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001418241549 926374326 /nfs/dbraw/zinc/37/43/26/926374326.db2.gz ZDNLRRZJEJMFPN-VIFPVBQESA-N 1 1 322.373 -1.002 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NCc1nnnn1C ZINC001418288302 926378174 /nfs/dbraw/zinc/37/81/74/926378174.db2.gz ICYAHIAFKMITLX-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2nnc(N)n2)C[C@H]1[NH+]1CCOCC1 ZINC001418308952 926379411 /nfs/dbraw/zinc/37/94/11/926379411.db2.gz QETDNGMHVVVCQI-NXEZZACHSA-N 1 1 309.374 -1.129 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001418299728 926379492 /nfs/dbraw/zinc/37/94/92/926379492.db2.gz YQFUIMSDVNTFQA-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001418299728 926379500 /nfs/dbraw/zinc/37/95/00/926379500.db2.gz YQFUIMSDVNTFQA-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)CCn2cnnn2)nn1 ZINC001418293181 926379617 /nfs/dbraw/zinc/37/96/17/926379617.db2.gz ZJCDFBYWVDMOGK-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001418311745 926380934 /nfs/dbraw/zinc/38/09/34/926380934.db2.gz AQUCVEQPIRHBGZ-VXGBXAGGSA-N 1 1 300.403 -1.205 20 0 DAADMO CC1(C)[C@@H](NC(=O)Cn2nnc(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001418308953 926381199 /nfs/dbraw/zinc/38/11/99/926381199.db2.gz QETDNGMHVVVCQI-UWVGGRQHSA-N 1 1 309.374 -1.129 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001418311740 926381542 /nfs/dbraw/zinc/38/15/42/926381542.db2.gz AQUCVEQPIRHBGZ-RYUDHWBXSA-N 1 1 300.403 -1.205 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001418329258 926383334 /nfs/dbraw/zinc/38/33/34/926383334.db2.gz OEBIPHHFVRUZAN-LLVKDONJSA-N 1 1 305.400 -1.455 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001418329258 926383340 /nfs/dbraw/zinc/38/33/40/926383340.db2.gz OEBIPHHFVRUZAN-LLVKDONJSA-N 1 1 305.400 -1.455 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1)C(=O)NC(N)=O ZINC001418336057 926383986 /nfs/dbraw/zinc/38/39/86/926383986.db2.gz OCXJSXDJNXLKMB-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001418376596 926386624 /nfs/dbraw/zinc/38/66/24/926386624.db2.gz VFGDFEAZPYPPFA-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418375832 926386759 /nfs/dbraw/zinc/38/67/59/926386759.db2.gz ULQQFXATAKSOSY-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418375832 926386767 /nfs/dbraw/zinc/38/67/67/926386767.db2.gz ULQQFXATAKSOSY-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001418377829 926386797 /nfs/dbraw/zinc/38/67/97/926386797.db2.gz SCTCMZSCWHZFAP-MRVPVSSYSA-N 1 1 310.314 -1.199 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001418377829 926386801 /nfs/dbraw/zinc/38/68/01/926386801.db2.gz SCTCMZSCWHZFAP-MRVPVSSYSA-N 1 1 310.314 -1.199 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418370172 926386893 /nfs/dbraw/zinc/38/68/93/926386893.db2.gz CTGJXJBQOQBCCK-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001418370172 926386902 /nfs/dbraw/zinc/38/69/02/926386902.db2.gz CTGJXJBQOQBCCK-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001418376366 926387503 /nfs/dbraw/zinc/38/75/03/926387503.db2.gz POUJTBRYSHINJZ-DTWKUNHWSA-N 1 1 323.357 -1.076 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)c1ccn[nH]1)S(C)(=O)=O ZINC001418441122 926388227 /nfs/dbraw/zinc/38/82/27/926388227.db2.gz PNUJHZAEJMFGSM-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)c1ccn[nH]1)S(C)(=O)=O ZINC001418441122 926388236 /nfs/dbraw/zinc/38/82/36/926388236.db2.gz PNUJHZAEJMFGSM-UHFFFAOYSA-N 1 1 303.388 -1.037 20 0 DAADMO COC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001418446552 926388702 /nfs/dbraw/zinc/38/87/02/926388702.db2.gz PNRSDWJCHADXNU-SNVBAGLBSA-N 1 1 321.399 -1.175 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001418446552 926388709 /nfs/dbraw/zinc/38/87/09/926388709.db2.gz PNRSDWJCHADXNU-SNVBAGLBSA-N 1 1 321.399 -1.175 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)CN2CCNC(=O)C2)o1 ZINC001418413806 926388923 /nfs/dbraw/zinc/38/89/23/926388923.db2.gz QQGOBCTUFZSWBJ-JTQLQIEISA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@H](CCNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1nnn(C)n1 ZINC001418402468 926389255 /nfs/dbraw/zinc/38/92/55/926389255.db2.gz NZQKDPUXNWTSNZ-SECBINFHSA-N 1 1 320.357 -1.398 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)Cn1cnnn1)CS(C)(=O)=O ZINC001418434234 926389743 /nfs/dbraw/zinc/38/97/43/926389743.db2.gz DFJNHRKWAWJUJR-SNVBAGLBSA-N 1 1 318.403 -1.598 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)Cn1cnnn1)CS(C)(=O)=O ZINC001418434234 926389751 /nfs/dbraw/zinc/38/97/51/926389751.db2.gz DFJNHRKWAWJUJR-SNVBAGLBSA-N 1 1 318.403 -1.598 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)CC1CCOCC1 ZINC001418461509 926390327 /nfs/dbraw/zinc/39/03/27/926390327.db2.gz QOTBRFQMJZONHW-UHFFFAOYSA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001418456731 926390462 /nfs/dbraw/zinc/39/04/62/926390462.db2.gz GFHHNEVLOHUXDY-VIFPVBQESA-N 1 1 323.419 -2.017 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001418456731 926390468 /nfs/dbraw/zinc/39/04/68/926390468.db2.gz GFHHNEVLOHUXDY-VIFPVBQESA-N 1 1 323.419 -2.017 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001418463194 926390675 /nfs/dbraw/zinc/39/06/75/926390675.db2.gz NYGJDSBLZAENEA-SNVBAGLBSA-N 1 1 320.415 -1.602 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001418463194 926390685 /nfs/dbraw/zinc/39/06/85/926390685.db2.gz NYGJDSBLZAENEA-SNVBAGLBSA-N 1 1 320.415 -1.602 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001418462146 926391255 /nfs/dbraw/zinc/39/12/55/926391255.db2.gz MJDJBROHMWVCMV-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CCS(=O)(=O)NC ZINC001418462146 926391268 /nfs/dbraw/zinc/39/12/68/926391268.db2.gz MJDJBROHMWVCMV-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO C[N@@H+](CCNC(=O)c1nccnc1N)C[C@@H](O)Cn1cccn1 ZINC001418449129 926392088 /nfs/dbraw/zinc/39/20/88/926392088.db2.gz RMVLLIAKVPNWOE-LLVKDONJSA-N 1 1 319.369 -1.022 20 0 DAADMO CC[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418482770 926394159 /nfs/dbraw/zinc/39/41/59/926394159.db2.gz PVXOXHYAPXXSHH-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001418474213 926394528 /nfs/dbraw/zinc/39/45/28/926394528.db2.gz PNSUHMPXKDATKA-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001418474213 926394537 /nfs/dbraw/zinc/39/45/37/926394537.db2.gz PNSUHMPXKDATKA-SNVBAGLBSA-N 1 1 312.374 -1.894 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001418488190 926395133 /nfs/dbraw/zinc/39/51/33/926395133.db2.gz BWRPNNSXUKFJPD-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001418490692 926395292 /nfs/dbraw/zinc/39/52/92/926395292.db2.gz XQXMHLGFYHEOAB-NSHDSACASA-N 1 1 302.375 -2.527 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001418491234 926395950 /nfs/dbraw/zinc/39/59/50/926395950.db2.gz QMDZAXBDEVWPHZ-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001418491234 926395958 /nfs/dbraw/zinc/39/59/58/926395958.db2.gz QMDZAXBDEVWPHZ-SSDOTTSWSA-N 1 1 312.334 -2.284 20 0 DAADMO Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001418497745 926396254 /nfs/dbraw/zinc/39/62/54/926396254.db2.gz BUZPDDSOFGPLKX-NSHDSACASA-N 1 1 320.353 -1.069 20 0 DAADMO Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001418497745 926396265 /nfs/dbraw/zinc/39/62/65/926396265.db2.gz BUZPDDSOFGPLKX-NSHDSACASA-N 1 1 320.353 -1.069 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001418498223 926397057 /nfs/dbraw/zinc/39/70/57/926397057.db2.gz KRYDXMKDXZODHM-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001418498223 926397065 /nfs/dbraw/zinc/39/70/65/926397065.db2.gz KRYDXMKDXZODHM-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(C(N)=O)c1)CCN1CCNC1=O ZINC001418523660 926398229 /nfs/dbraw/zinc/39/82/29/926398229.db2.gz ZBYHFWSFHUDGLN-UHFFFAOYSA-N 1 1 322.369 -1.200 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)C[C@@H](O)Cn1cccn1 ZINC001418518537 926399210 /nfs/dbraw/zinc/39/92/10/926399210.db2.gz FLTOGKKWLQCZQS-GFCCVEGCSA-N 1 1 307.358 -1.416 20 0 DAADMO C[N@H+](CCNC(=O)c1cnon1)CCN1CCCS1(=O)=O ZINC001418503599 926399945 /nfs/dbraw/zinc/39/99/45/926399945.db2.gz ZDJMSZZHVKWSTH-UHFFFAOYSA-N 1 1 317.371 -1.233 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnon1)CCN1CCCS1(=O)=O ZINC001418503599 926399954 /nfs/dbraw/zinc/39/99/54/926399954.db2.gz ZDJMSZZHVKWSTH-UHFFFAOYSA-N 1 1 317.371 -1.233 20 0 DAADMO C[N@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCNC1=O ZINC001418528002 926402317 /nfs/dbraw/zinc/40/23/17/926402317.db2.gz RDBHNVDTEWTOFR-SECBINFHSA-N 1 1 309.330 -2.687 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCNC1=O ZINC001418528002 926402324 /nfs/dbraw/zinc/40/23/24/926402324.db2.gz RDBHNVDTEWTOFR-SECBINFHSA-N 1 1 309.330 -2.687 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001418578790 926402969 /nfs/dbraw/zinc/40/29/69/926402969.db2.gz RZOWULYGUFGALN-ZYHUDNBSSA-N 1 1 314.386 -1.848 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@@H](C)C(N)=O ZINC001418574755 926403177 /nfs/dbraw/zinc/40/31/77/926403177.db2.gz JWHOKLFNHHDTNV-JTQLQIEISA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@@H](C)C(N)=O ZINC001418574755 926403186 /nfs/dbraw/zinc/40/31/86/926403186.db2.gz JWHOKLFNHHDTNV-JTQLQIEISA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CCN1CCNC1=O ZINC001418561849 926404167 /nfs/dbraw/zinc/40/41/67/926404167.db2.gz FYHRQRCTJXATJG-MNOVXSKESA-N 1 1 311.386 -1.429 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CCn1cncn1 ZINC001418560658 926404259 /nfs/dbraw/zinc/40/42/59/926404259.db2.gz UEJACEDJUDROLH-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCNC1=O)[C@@H]1CCNC1=O ZINC001418557812 926404499 /nfs/dbraw/zinc/40/44/99/926404499.db2.gz RFLNHDSOLPUEGR-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CCn1cncn1 ZINC001418560662 926405440 /nfs/dbraw/zinc/40/54/40/926405440.db2.gz UEJACEDJUDROLH-NSHDSACASA-N 1 1 309.374 -1.260 20 0 DAADMO Cn1cc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(N)=O)cn1 ZINC001418588794 926406140 /nfs/dbraw/zinc/40/61/40/926406140.db2.gz GCEQLLHOSCWORJ-LLVKDONJSA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cc(CC(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(N)=O)cn1 ZINC001418588794 926406146 /nfs/dbraw/zinc/40/61/46/926406146.db2.gz GCEQLLHOSCWORJ-LLVKDONJSA-N 1 1 322.369 -1.262 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@@H]1CCOC1 ZINC001418582895 926406467 /nfs/dbraw/zinc/40/64/67/926406467.db2.gz VZSNMBWELIHSLC-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592779 926406938 /nfs/dbraw/zinc/40/69/38/926406938.db2.gz NZWISCKKJRNTPQ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001418592779 926406942 /nfs/dbraw/zinc/40/69/42/926406942.db2.gz NZWISCKKJRNTPQ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1ccnn1 ZINC001418609049 926407668 /nfs/dbraw/zinc/40/76/68/926407668.db2.gz AFJVFPBTSYSKNY-JTQLQIEISA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1ccnn1 ZINC001418609049 926407679 /nfs/dbraw/zinc/40/76/79/926407679.db2.gz AFJVFPBTSYSKNY-JTQLQIEISA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001418597498 926408193 /nfs/dbraw/zinc/40/81/93/926408193.db2.gz XRLOHTBAIQTZDW-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001418611720 926408245 /nfs/dbraw/zinc/40/82/45/926408245.db2.gz CKSFTXLWNSSZME-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CNC(=O)CN1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001418600274 926408654 /nfs/dbraw/zinc/40/86/54/926408654.db2.gz RIWNWWYQRIFOAT-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001418611750 926408859 /nfs/dbraw/zinc/40/88/59/926408859.db2.gz CKSFTXLWNSSZME-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC1 ZINC001418602418 926409032 /nfs/dbraw/zinc/40/90/32/926409032.db2.gz FMVYCBQXZUGMDI-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CCC[N@H+]1CC(=O)NCC1CC1 ZINC001418602418 926409038 /nfs/dbraw/zinc/40/90/38/926409038.db2.gz FMVYCBQXZUGMDI-LBPRGKRZSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001418629134 926410880 /nfs/dbraw/zinc/41/08/80/926410880.db2.gz VIZHGAZWLLYRCX-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001418629134 926410883 /nfs/dbraw/zinc/41/08/83/926410883.db2.gz VIZHGAZWLLYRCX-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001418626556 926411281 /nfs/dbraw/zinc/41/12/81/926411281.db2.gz UHKUSFOBDREHDD-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001418626556 926411287 /nfs/dbraw/zinc/41/12/87/926411287.db2.gz UHKUSFOBDREHDD-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001418642489 926412901 /nfs/dbraw/zinc/41/29/01/926412901.db2.gz WFVCDAVVDCVCHA-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001418666278 926413983 /nfs/dbraw/zinc/41/39/83/926413983.db2.gz RRIBAZKLUYXLHP-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001418666278 926413988 /nfs/dbraw/zinc/41/39/88/926413988.db2.gz RRIBAZKLUYXLHP-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001418682304 926415039 /nfs/dbraw/zinc/41/50/39/926415039.db2.gz IXYGEYGZIOWNRH-MNOVXSKESA-N 1 1 307.416 -1.126 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001418667533 926415090 /nfs/dbraw/zinc/41/50/90/926415090.db2.gz FNLWRUYMDXMEGJ-NWDGAFQWSA-N 1 1 322.427 -1.134 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418688092 926415971 /nfs/dbraw/zinc/41/59/71/926415971.db2.gz RZYLASYIISYTDU-VIFPVBQESA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001418699682 926415996 /nfs/dbraw/zinc/41/59/96/926415996.db2.gz PCGNENKSIKUMLQ-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001418691106 926416056 /nfs/dbraw/zinc/41/60/56/926416056.db2.gz RMYLZPUSOYKCKD-NEPJUHHUSA-N 1 1 312.374 -1.491 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001418699670 926416804 /nfs/dbraw/zinc/41/68/04/926416804.db2.gz PCGNENKSIKUMLQ-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CC[N@H+](C[C@H](C)O)C2)c(=O)n1C ZINC001418691296 926416966 /nfs/dbraw/zinc/41/69/66/926416966.db2.gz PUIDNWTYSUDFSQ-JQWIXIFHSA-N 1 1 311.386 -1.291 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001418690774 926416987 /nfs/dbraw/zinc/41/69/87/926416987.db2.gz QSEXCBNMMVTVLU-VIFPVBQESA-N 1 1 308.342 -1.415 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)[C@H](C)C(=O)NC ZINC001418711215 926418286 /nfs/dbraw/zinc/41/82/86/926418286.db2.gz XXCYXJYCPNBQEK-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001418765206 926420246 /nfs/dbraw/zinc/42/02/46/926420246.db2.gz HOKJMFLKLCQVBB-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)C1CC1 ZINC001418766269 926420748 /nfs/dbraw/zinc/42/07/48/926420748.db2.gz GHGYCACYRBBHBU-VIFPVBQESA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)C1CC1 ZINC001418766269 926420756 /nfs/dbraw/zinc/42/07/56/926420756.db2.gz GHGYCACYRBBHBU-VIFPVBQESA-N 1 1 322.369 -1.388 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001418778639 926422104 /nfs/dbraw/zinc/42/21/04/926422104.db2.gz MNDBPRMQATWUPD-SMDDNHRTSA-N 1 1 317.361 -1.114 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001418778639 926422116 /nfs/dbraw/zinc/42/21/16/926422116.db2.gz MNDBPRMQATWUPD-SMDDNHRTSA-N 1 1 317.361 -1.114 20 0 DAADMO CN1CCC[C@H]([N@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777483 926422140 /nfs/dbraw/zinc/42/21/40/926422140.db2.gz LHTPHHYAKRVJTM-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCC[C@H]([N@@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777483 926422148 /nfs/dbraw/zinc/42/21/48/926422148.db2.gz LHTPHHYAKRVJTM-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(Cn1cncn1)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001418792189 926422213 /nfs/dbraw/zinc/42/22/13/926422213.db2.gz LNFDNXDJJOUVFD-CYBMUJFWSA-N 1 1 311.386 -1.054 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001418780108 926422401 /nfs/dbraw/zinc/42/24/01/926422401.db2.gz QXHMOYQTRCKJPI-HUBLWGQQSA-N 1 1 311.382 -1.207 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001418780108 926422407 /nfs/dbraw/zinc/42/24/07/926422407.db2.gz QXHMOYQTRCKJPI-HUBLWGQQSA-N 1 1 311.382 -1.207 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001418778277 926422499 /nfs/dbraw/zinc/42/24/99/926422499.db2.gz NTFDZFBRCVZAJK-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001418778277 926422510 /nfs/dbraw/zinc/42/25/10/926422510.db2.gz NTFDZFBRCVZAJK-MWLCHTKSSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001418772348 926422731 /nfs/dbraw/zinc/42/27/31/926422731.db2.gz DURPILXWBZIKKI-RYUDHWBXSA-N 1 1 316.402 -1.289 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001418780411 926422862 /nfs/dbraw/zinc/42/28/62/926422862.db2.gz TUKJWRDRAHFEEE-NEPJUHHUSA-N 1 1 319.427 -1.302 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1)c1nnnn1C ZINC001418820013 926423959 /nfs/dbraw/zinc/42/39/59/926423959.db2.gz DLUDTBIQRCKEBC-DTWKUNHWSA-N 1 1 310.362 -1.657 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001418801334 926425012 /nfs/dbraw/zinc/42/50/12/926425012.db2.gz MDKNVXQXVYRWBU-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001418801334 926425018 /nfs/dbraw/zinc/42/50/18/926425018.db2.gz MDKNVXQXVYRWBU-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H]1CCC(=O)N1)c1nnnn1C ZINC001418834150 926426627 /nfs/dbraw/zinc/42/66/27/926426627.db2.gz RNSZEQAIFLLARG-ZJUUUORDSA-N 1 1 309.374 -1.012 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001418885089 926428398 /nfs/dbraw/zinc/42/83/98/926428398.db2.gz YKXSOVAJYIZFSQ-SNVBAGLBSA-N 1 1 313.358 -1.854 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001418860000 926428814 /nfs/dbraw/zinc/42/88/14/926428814.db2.gz POHKAXIGSBCDMN-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nncc1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001418885696 926428887 /nfs/dbraw/zinc/42/88/87/926428887.db2.gz HEQZNNGGZGCZPC-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(=O)NC(N)=O)C1 ZINC001418852229 926428935 /nfs/dbraw/zinc/42/89/35/926428935.db2.gz GCKVENNEDIDROO-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001418903922 926430775 /nfs/dbraw/zinc/43/07/75/926430775.db2.gz BFUQQEDKSVMWNZ-QWRGUYRKSA-N 1 1 311.386 -1.157 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC001418953140 926432393 /nfs/dbraw/zinc/43/23/93/926432393.db2.gz QSNFDVZCNCEAIO-RISCZKNCSA-N 1 1 315.370 -2.052 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001418931869 926432480 /nfs/dbraw/zinc/43/24/80/926432480.db2.gz LMISCLSXUBNRQY-MRVPVSSYSA-N 1 1 310.314 -1.342 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001418933917 926432560 /nfs/dbraw/zinc/43/25/60/926432560.db2.gz UTRCHTXHZMWCLF-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC001418953141 926432716 /nfs/dbraw/zinc/43/27/16/926432716.db2.gz QSNFDVZCNCEAIO-SMDDNHRTSA-N 1 1 315.370 -2.052 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC001418953139 926433084 /nfs/dbraw/zinc/43/30/84/926433084.db2.gz QSNFDVZCNCEAIO-FZMZJTMJSA-N 1 1 315.370 -2.052 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001418940839 926433214 /nfs/dbraw/zinc/43/32/14/926433214.db2.gz FSQZYRICIQLIQC-SECBINFHSA-N 1 1 320.353 -1.545 20 0 DAADMO COC1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CS(=O)(=O)C1 ZINC001418951981 926433430 /nfs/dbraw/zinc/43/34/30/926433430.db2.gz BOFWESZWZLVLMA-SNVBAGLBSA-N 1 1 308.356 -2.733 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc(-n2cncn2)n1 ZINC001418953792 926434053 /nfs/dbraw/zinc/43/40/53/926434053.db2.gz URHHWRCXKHDRAT-CQSZACIVSA-N 1 1 318.337 -1.257 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001418953865 926434296 /nfs/dbraw/zinc/43/42/96/926434296.db2.gz XNLRFJRDNLTIMM-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO O=C(NCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001418954052 926434390 /nfs/dbraw/zinc/43/43/90/926434390.db2.gz JBJXSCGWOGZJRX-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001418954052 926434392 /nfs/dbraw/zinc/43/43/92/926434392.db2.gz JBJXSCGWOGZJRX-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C[C@H]1C ZINC001418953808 926434765 /nfs/dbraw/zinc/43/47/65/926434765.db2.gz VIODZXNQEPMRJK-BIAAXOCRSA-N 1 1 316.354 -1.580 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001418965872 926435303 /nfs/dbraw/zinc/43/53/03/926435303.db2.gz JSWDLMMWBVOVBX-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CC(=O)NCC3CC3)C2)C1 ZINC001418965872 926435306 /nfs/dbraw/zinc/43/53/06/926435306.db2.gz JSWDLMMWBVOVBX-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001418977145 926437291 /nfs/dbraw/zinc/43/72/91/926437291.db2.gz DIZUNKRKPDIUEM-SECBINFHSA-N 1 1 303.384 -1.513 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001418974997 926437652 /nfs/dbraw/zinc/43/76/52/926437652.db2.gz NFFCNJDXRKCGLD-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001418981675 926438660 /nfs/dbraw/zinc/43/86/60/926438660.db2.gz IVZIZTRQPUAISH-SNVBAGLBSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001418997091 926441135 /nfs/dbraw/zinc/44/11/35/926441135.db2.gz ZWNLLRKTDDOBJY-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001419020672 926443597 /nfs/dbraw/zinc/44/35/97/926443597.db2.gz NHYMEXIHUYPNMY-NSHDSACASA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(CN1CCOCC1=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001419022667 926445821 /nfs/dbraw/zinc/44/58/21/926445821.db2.gz LXBNMQLELBRKOJ-LBPRGKRZSA-N 1 1 324.381 -1.828 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001419023242 926445933 /nfs/dbraw/zinc/44/59/33/926445933.db2.gz BVPOBHHFMGETTK-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)CCNC(N)=O)C2)C1=O ZINC001419042751 926447349 /nfs/dbraw/zinc/44/73/49/926447349.db2.gz BONVXIMGARXIQZ-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001419056717 926449148 /nfs/dbraw/zinc/44/91/48/926449148.db2.gz GJNNSNXPDZHEQK-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)N(C)C ZINC001419056717 926449151 /nfs/dbraw/zinc/44/91/51/926449151.db2.gz GJNNSNXPDZHEQK-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001419049805 926449731 /nfs/dbraw/zinc/44/97/31/926449731.db2.gz BUQGZXLTARSUTE-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)N(C)C ZINC001419052631 926449784 /nfs/dbraw/zinc/44/97/84/926449784.db2.gz ZRWILAHRJQGDAP-DCAQKATOSA-N 1 1 320.415 -1.952 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001419065987 926452052 /nfs/dbraw/zinc/45/20/52/926452052.db2.gz BOIYMZOVKQGPOR-HBNTYKKESA-N 1 1 321.399 -2.124 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC001419084559 926452876 /nfs/dbraw/zinc/45/28/76/926452876.db2.gz RIWQUVCHPRJCJV-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC001419084559 926452882 /nfs/dbraw/zinc/45/28/82/926452882.db2.gz RIWQUVCHPRJCJV-MWLCHTKSSA-N 1 1 311.386 -1.227 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001419075654 926453503 /nfs/dbraw/zinc/45/35/03/926453503.db2.gz QCNISRDODZCKOS-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419091577 926454397 /nfs/dbraw/zinc/45/43/97/926454397.db2.gz UHQCVTMEHXCPNB-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001419075987 926454264 /nfs/dbraw/zinc/45/42/64/926454264.db2.gz CBLBBWJKKARTNN-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419091574 926454314 /nfs/dbraw/zinc/45/43/14/926454314.db2.gz UHQCVTMEHXCPNB-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419091574 926454320 /nfs/dbraw/zinc/45/43/20/926454320.db2.gz UHQCVTMEHXCPNB-GHMZBOCLSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419091577 926454391 /nfs/dbraw/zinc/45/43/91/926454391.db2.gz UHQCVTMEHXCPNB-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001419116741 926457731 /nfs/dbraw/zinc/45/77/31/926457731.db2.gz ZNBPNVLEJFELAU-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001419116741 926457739 /nfs/dbraw/zinc/45/77/39/926457739.db2.gz ZNBPNVLEJFELAU-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCOC(=O)C[C@@H](O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001419120655 926458401 /nfs/dbraw/zinc/45/84/01/926458401.db2.gz UFEVZFSJMGNJGI-QJPTWQEYSA-N 1 1 300.355 -1.032 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419138946 926460788 /nfs/dbraw/zinc/46/07/88/926460788.db2.gz ULXRWTAFQLNNFU-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419138946 926460792 /nfs/dbraw/zinc/46/07/92/926460792.db2.gz ULXRWTAFQLNNFU-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001419133719 926460991 /nfs/dbraw/zinc/46/09/91/926460991.db2.gz WCDUXTFPXLEYLW-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001419143565 926462174 /nfs/dbraw/zinc/46/21/74/926462174.db2.gz NBDIAKHQWBQYRF-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO CCOCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001419143565 926462180 /nfs/dbraw/zinc/46/21/80/926462180.db2.gz NBDIAKHQWBQYRF-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001419146027 926462539 /nfs/dbraw/zinc/46/25/39/926462539.db2.gz BSPMNOFLGFAXAF-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001419146027 926462546 /nfs/dbraw/zinc/46/25/46/926462546.db2.gz BSPMNOFLGFAXAF-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001419157103 926463035 /nfs/dbraw/zinc/46/30/35/926463035.db2.gz MIOYNAPJYQZIPG-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001419171447 926463902 /nfs/dbraw/zinc/46/39/02/926463902.db2.gz DLPUASYQBFUUDT-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001419173664 926464844 /nfs/dbraw/zinc/46/48/44/926464844.db2.gz CLZFPGSJWDTLHO-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001419173664 926464848 /nfs/dbraw/zinc/46/48/48/926464848.db2.gz CLZFPGSJWDTLHO-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO CN1CCn2c(CNC(=O)CC[NH+]3CCOCC3)nnc2C1=O ZINC001419218070 926468333 /nfs/dbraw/zinc/46/83/33/926468333.db2.gz SVFWJWNBJXKFKC-UHFFFAOYSA-N 1 1 322.369 -1.298 20 0 DAADMO CC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419218092 926468641 /nfs/dbraw/zinc/46/86/41/926468641.db2.gz OATHIUJFMSJJPN-DTWKUNHWSA-N 1 1 318.403 -1.372 20 0 DAADMO CC[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419249713 926469824 /nfs/dbraw/zinc/46/98/24/926469824.db2.gz RHWQDKALHQZLKR-UWVGGRQHSA-N 1 1 309.374 -1.137 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC001419287219 926470442 /nfs/dbraw/zinc/47/04/42/926470442.db2.gz FYKCXPAFLVEBGG-CQSZACIVSA-N 1 1 314.386 -1.846 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001419291964 926471802 /nfs/dbraw/zinc/47/18/02/926471802.db2.gz VACDWXPWUYOGGA-MNOVXSKESA-N 1 1 307.358 -1.519 20 0 DAADMO C[C@H]([NH2+][C@@H](CNC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001419304023 926471872 /nfs/dbraw/zinc/47/18/72/926471872.db2.gz FXOXMTSOZGEUHF-WPRPVWTQSA-N 1 1 324.389 -1.186 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(N)=O ZINC001419334976 926472690 /nfs/dbraw/zinc/47/26/90/926472690.db2.gz CHLCJHBPEHUAQH-GRYCIOLGSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001419368541 926473678 /nfs/dbraw/zinc/47/36/78/926473678.db2.gz ALTNJZJMAHDHCQ-CIUDSAMLSA-N 1 1 310.362 -1.482 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001419405473 926475692 /nfs/dbraw/zinc/47/56/92/926475692.db2.gz CHWRIGRYPBOHTM-HAQNSBGRSA-N 1 1 323.353 -1.336 20 0 DAADMO C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1nnn(C)n1 ZINC001419475596 926480068 /nfs/dbraw/zinc/48/00/68/926480068.db2.gz ZIUORTOYMJNPPF-IUCAKERBSA-N 1 1 312.378 -1.501 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001419498697 926482269 /nfs/dbraw/zinc/48/22/69/926482269.db2.gz VMXGHUPRPCKKCG-BBBLOLIVSA-N 1 1 315.399 -1.015 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001419526649 926483076 /nfs/dbraw/zinc/48/30/76/926483076.db2.gz LHCBXUIMNLGJHS-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001419526649 926483086 /nfs/dbraw/zinc/48/30/86/926483086.db2.gz LHCBXUIMNLGJHS-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001419532033 926483533 /nfs/dbraw/zinc/48/35/33/926483533.db2.gz BNOOERZLPWNGNU-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)c1=O ZINC001419567729 926487344 /nfs/dbraw/zinc/48/73/44/926487344.db2.gz NARJGRBFANKNEM-LBPRGKRZSA-N 1 1 309.370 -1.191 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)c1=O ZINC001419567726 926487387 /nfs/dbraw/zinc/48/73/87/926487387.db2.gz NARJGRBFANKNEM-GFCCVEGCSA-N 1 1 309.370 -1.191 20 0 DAADMO C[C@H](O)CN1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001419581420 926489506 /nfs/dbraw/zinc/48/95/06/926489506.db2.gz WEAYLZYXBYCXIC-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001419604762 926490718 /nfs/dbraw/zinc/49/07/18/926490718.db2.gz ZISAGVCNJMMZNK-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001419604762 926490723 /nfs/dbraw/zinc/49/07/23/926490723.db2.gz ZISAGVCNJMMZNK-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001419662376 926492391 /nfs/dbraw/zinc/49/23/91/926492391.db2.gz OMMOCSAIUSOGNW-IIEKFROSSA-N 1 1 324.381 -1.208 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001419665595 926492551 /nfs/dbraw/zinc/49/25/51/926492551.db2.gz ZZUVXAKIJCTZNA-XPORZQOISA-N 1 1 308.382 -1.225 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001419654565 926493231 /nfs/dbraw/zinc/49/32/31/926493231.db2.gz HQICLHQNQQJTSV-KZZRWZIVSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419678963 926494190 /nfs/dbraw/zinc/49/41/90/926494190.db2.gz CMQFHAKUIBCMGR-SNVBAGLBSA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001419678961 926494391 /nfs/dbraw/zinc/49/43/91/926494391.db2.gz CMQFHAKUIBCMGR-JTQLQIEISA-N 1 1 322.373 -1.653 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cnc[nH]c1=O ZINC001419687272 926494477 /nfs/dbraw/zinc/49/44/77/926494477.db2.gz UHULZNYBZXEZLT-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001419677400 926494530 /nfs/dbraw/zinc/49/45/30/926494530.db2.gz JJYPPTBXFRQWGE-VHSXEESVSA-N 1 1 309.374 -1.375 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001419722216 926496316 /nfs/dbraw/zinc/49/63/16/926496316.db2.gz PZSCQAOHJPXVCC-ADEWGFFLSA-N 1 1 324.385 -1.216 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001419710598 926497096 /nfs/dbraw/zinc/49/70/96/926497096.db2.gz YVLGMZUWUNRAIW-UWVGGRQHSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[NH2+]Cc1ncnn1C ZINC001419849986 926504051 /nfs/dbraw/zinc/50/40/51/926504051.db2.gz LKAXRBLVBJSMDR-KXUCPTDWSA-N 1 1 310.358 -1.558 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1cnns1 ZINC001419866741 926506143 /nfs/dbraw/zinc/50/61/43/926506143.db2.gz XOUQQEIPZPPVEB-XPUUQOCRSA-N 1 1 312.355 -1.270 20 0 DAADMO COc1c(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)cnn1C ZINC001419904777 926508883 /nfs/dbraw/zinc/50/88/83/926508883.db2.gz MEOKWBSGHPRARU-MRVPVSSYSA-N 1 1 308.346 -1.140 20 0 DAADMO Cn1cc([C@@H]2[C@@H](C(=O)NC[C@H]3CC[N@H+]3C)[C@@H](O)C(=O)N2C)cn1 ZINC001419914781 926509614 /nfs/dbraw/zinc/50/96/14/926509614.db2.gz PGPWGRQRYOLAEE-FDYHWXHSSA-N 1 1 321.381 -1.269 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001419936808 926510314 /nfs/dbraw/zinc/51/03/14/926510314.db2.gz MRSNRPVLACORLV-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419931443 926510475 /nfs/dbraw/zinc/51/04/75/926510475.db2.gz FYWXRRNNGAQJGU-APPZFPTMSA-N 1 1 317.371 -1.336 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001419955624 926511496 /nfs/dbraw/zinc/51/14/96/926511496.db2.gz GPRWHIRZKIYZET-VIFPVBQESA-N 1 1 314.342 -1.475 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001419955624 926511504 /nfs/dbraw/zinc/51/15/04/926511504.db2.gz GPRWHIRZKIYZET-VIFPVBQESA-N 1 1 314.342 -1.475 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001419946497 926511572 /nfs/dbraw/zinc/51/15/72/926511572.db2.gz RRUNAQQCXNWCGS-UWVGGRQHSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nnnn1C ZINC001419938466 926511811 /nfs/dbraw/zinc/51/18/11/926511811.db2.gz OODBATXWBKTANL-HTQZYQBOSA-N 1 1 317.375 -2.504 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nnnn1C ZINC001419938474 926511951 /nfs/dbraw/zinc/51/19/51/926511951.db2.gz OODBATXWBKTANL-JGVFFNPUSA-N 1 1 317.375 -2.504 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)c1ncn(C)n1 ZINC001419961569 926513504 /nfs/dbraw/zinc/51/35/04/926513504.db2.gz UDRUDGPHBXHPIG-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)c1ncn(C)n1 ZINC001419961569 926513509 /nfs/dbraw/zinc/51/35/09/926513509.db2.gz UDRUDGPHBXHPIG-UHFFFAOYSA-N 1 1 324.385 -1.322 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001419988674 926514513 /nfs/dbraw/zinc/51/45/13/926514513.db2.gz CSHZPCPNVKZLRM-QMMMGPOBSA-N 1 1 301.347 -1.917 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001419988674 926514521 /nfs/dbraw/zinc/51/45/21/926514521.db2.gz CSHZPCPNVKZLRM-QMMMGPOBSA-N 1 1 301.347 -1.917 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CCCC(N)=O)C2)n1 ZINC001420001233 926515329 /nfs/dbraw/zinc/51/53/29/926515329.db2.gz FXTGCTWQBYKMIH-SNVBAGLBSA-N 1 1 309.374 -1.196 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419993186 926515343 /nfs/dbraw/zinc/51/53/43/926515343.db2.gz ABKZDUFNAJLMOL-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419993186 926515346 /nfs/dbraw/zinc/51/53/46/926515346.db2.gz ABKZDUFNAJLMOL-HTQZYQBOSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419993195 926515452 /nfs/dbraw/zinc/51/54/52/926515452.db2.gz ABKZDUFNAJLMOL-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419993195 926515456 /nfs/dbraw/zinc/51/54/56/926515456.db2.gz ABKZDUFNAJLMOL-YUMQZZPRSA-N 1 1 314.346 -2.359 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001420038052 926516625 /nfs/dbraw/zinc/51/66/25/926516625.db2.gz AKEHDYYPVBHGRG-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001420038052 926516629 /nfs/dbraw/zinc/51/66/29/926516629.db2.gz AKEHDYYPVBHGRG-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001420034490 926516867 /nfs/dbraw/zinc/51/68/67/926516867.db2.gz BFCNDRJETIDYLP-IUCAKERBSA-N 1 1 323.357 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](COC)OC ZINC001420014792 926516993 /nfs/dbraw/zinc/51/69/93/926516993.db2.gz WNHLIZZRCGUNMJ-SNVBAGLBSA-N 1 1 318.374 -1.506 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](COC)OC ZINC001420014792 926516998 /nfs/dbraw/zinc/51/69/98/926516998.db2.gz WNHLIZZRCGUNMJ-SNVBAGLBSA-N 1 1 318.374 -1.506 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001420034492 926517085 /nfs/dbraw/zinc/51/70/85/926517085.db2.gz BFCNDRJETIDYLP-RKDXNWHRSA-N 1 1 323.357 -1.076 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001420034489 926517615 /nfs/dbraw/zinc/51/76/15/926517615.db2.gz BFCNDRJETIDYLP-DTWKUNHWSA-N 1 1 323.357 -1.076 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001420056320 926518167 /nfs/dbraw/zinc/51/81/67/926518167.db2.gz VIYGFADDKSYBIY-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001420056320 926518171 /nfs/dbraw/zinc/51/81/71/926518171.db2.gz VIYGFADDKSYBIY-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001420056960 926518318 /nfs/dbraw/zinc/51/83/18/926518318.db2.gz OTUFKADUWJQKNX-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)CCNC(N)=O ZINC001420056960 926518327 /nfs/dbraw/zinc/51/83/27/926518327.db2.gz OTUFKADUWJQKNX-JTQLQIEISA-N 1 1 301.391 -1.088 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(Cl)n1C ZINC001420082233 926518752 /nfs/dbraw/zinc/51/87/52/926518752.db2.gz PDAKTUACGKYECA-SECBINFHSA-N 1 1 317.777 -1.224 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001420056781 926519347 /nfs/dbraw/zinc/51/93/47/926519347.db2.gz ACJWNECRSLRXSS-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001420056781 926519350 /nfs/dbraw/zinc/51/93/50/926519350.db2.gz ACJWNECRSLRXSS-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001420075894 926519696 /nfs/dbraw/zinc/51/96/96/926519696.db2.gz XXLPXGIDNPNGCT-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001420087304 926520343 /nfs/dbraw/zinc/52/03/43/926520343.db2.gz GSFWRXQRHZXBNH-GXSJLCMTSA-N 1 1 312.374 -1.611 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001420090454 926520386 /nfs/dbraw/zinc/52/03/86/926520386.db2.gz UTKBHHGGYYVXJB-NXEZZACHSA-N 1 1 324.389 -1.486 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001420090516 926521542 /nfs/dbraw/zinc/52/15/42/926521542.db2.gz UTKBHHGGYYVXJB-ZJUUUORDSA-N 1 1 324.389 -1.486 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)n1cncn1 ZINC001420100528 926523612 /nfs/dbraw/zinc/52/36/12/926523612.db2.gz CSUUHZJMZOTVFV-KOLCDFICSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001420101761 926524199 /nfs/dbraw/zinc/52/41/99/926524199.db2.gz GTBDNIATRQSPNO-WPRPVWTQSA-N 1 1 308.346 -1.696 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001420101747 926524311 /nfs/dbraw/zinc/52/43/11/926524311.db2.gz GTBDNIATRQSPNO-SCZZXKLOSA-N 1 1 308.346 -1.696 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1)c1nnnn1C ZINC001420101447 926524632 /nfs/dbraw/zinc/52/46/32/926524632.db2.gz JAZSWMCMUDWKTL-WPRPVWTQSA-N 1 1 308.346 -1.615 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CCNC(=O)Cn2ncn(C)c2=O)o1 ZINC001420102294 926524710 /nfs/dbraw/zinc/52/47/10/926524710.db2.gz RHYOZJGXHYLWKZ-SECBINFHSA-N 1 1 323.357 -1.042 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1)c1nncn1C ZINC001420107008 926525339 /nfs/dbraw/zinc/52/53/39/926525339.db2.gz LTJBNZCTJYWXIJ-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)ncn1 ZINC001420110260 926526477 /nfs/dbraw/zinc/52/64/77/926526477.db2.gz NCEXCVICBOEVDS-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001420114368 926527613 /nfs/dbraw/zinc/52/76/13/926527613.db2.gz UUNHWPBLBFJTNH-SNVBAGLBSA-N 1 1 311.342 -1.433 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001420115537 926528799 /nfs/dbraw/zinc/52/87/99/926528799.db2.gz QUCWXJGQEBVKNT-NXEZZACHSA-N 1 1 309.326 -1.540 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001420119308 926528821 /nfs/dbraw/zinc/52/88/21/926528821.db2.gz YVIWSBWDHKRKPV-QWRGUYRKSA-N 1 1 300.359 -1.286 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cn[nH]c1 ZINC001420116753 926529020 /nfs/dbraw/zinc/52/90/20/926529020.db2.gz RYBGEVPWDSHWAZ-JTQLQIEISA-N 1 1 311.321 -1.149 20 0 DAADMO CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001420119194 926529199 /nfs/dbraw/zinc/52/91/99/926529199.db2.gz ZWBKNLPFFBVGDM-STQMWFEESA-N 1 1 314.430 -1.081 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001420115546 926529420 /nfs/dbraw/zinc/52/94/20/926529420.db2.gz QUCWXJGQEBVKNT-UWVGGRQHSA-N 1 1 309.326 -1.540 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cn[nH]c1 ZINC001420121900 926530547 /nfs/dbraw/zinc/53/05/47/926530547.db2.gz ZYLHTAAPSAQOQB-SNVBAGLBSA-N 1 1 306.330 -1.388 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420121045 926530760 /nfs/dbraw/zinc/53/07/60/926530760.db2.gz BIFZOZKPXDJCAP-VIFPVBQESA-N 1 1 322.373 -1.063 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCOC1 ZINC001420119506 926531261 /nfs/dbraw/zinc/53/12/61/926531261.db2.gz XCHDJDQHDAVPSV-MWLCHTKSSA-N 1 1 310.358 -1.389 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)n[nH]1 ZINC001420127307 926532796 /nfs/dbraw/zinc/53/27/96/926532796.db2.gz LLZWJTPRUCGPLF-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cn(C)nn2)[nH]1 ZINC001420127388 926533721 /nfs/dbraw/zinc/53/37/21/926533721.db2.gz UVEARQGNQFCYMF-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001420135075 926534986 /nfs/dbraw/zinc/53/49/86/926534986.db2.gz FRSXIFNBKJDYGJ-SNVBAGLBSA-N 1 1 313.314 -2.505 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001420133293 926535511 /nfs/dbraw/zinc/53/55/11/926535511.db2.gz ZWGHKQBGQSAXEW-SNVBAGLBSA-N 1 1 321.341 -1.195 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001420136563 926537537 /nfs/dbraw/zinc/53/75/37/926537537.db2.gz HZWNTSBIIZYASG-ZJUUUORDSA-N 1 1 310.358 -2.092 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1CC1 ZINC001420135628 926537686 /nfs/dbraw/zinc/53/76/86/926537686.db2.gz IKRUNXLSXRCAKC-GFCCVEGCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001420135909 926538177 /nfs/dbraw/zinc/53/81/77/926538177.db2.gz GYPISURHQCTJQO-GFCCVEGCSA-N 1 1 321.385 -1.334 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001420139556 926539121 /nfs/dbraw/zinc/53/91/21/926539121.db2.gz NEHWQWJQTAAYIO-NXEZZACHSA-N 1 1 312.374 -1.704 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001420140245 926539458 /nfs/dbraw/zinc/53/94/58/926539458.db2.gz DDAMJONWTXKLOW-SECBINFHSA-N 1 1 313.358 -1.716 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001420139568 926539565 /nfs/dbraw/zinc/53/95/65/926539565.db2.gz NEHWQWJQTAAYIO-ZJUUUORDSA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001420141264 926540222 /nfs/dbraw/zinc/54/02/22/926540222.db2.gz PFMHKGNMKBCMPF-LBPRGKRZSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncnc1CNC[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420142583 926540416 /nfs/dbraw/zinc/54/04/16/926540416.db2.gz FHYRTXHFGBQJDO-NWDGAFQWSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001420148608 926541525 /nfs/dbraw/zinc/54/15/25/926541525.db2.gz CSQMCFDGQDEHLV-KWQFWETISA-N 1 1 302.310 -2.095 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)n1 ZINC001420152679 926543689 /nfs/dbraw/zinc/54/36/89/926543689.db2.gz CXMZEUNVSRARCA-JTQLQIEISA-N 1 1 310.314 -1.039 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001420153004 926544652 /nfs/dbraw/zinc/54/46/52/926544652.db2.gz NSGOTKPVMDAOIU-NSHDSACASA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001420155876 926545968 /nfs/dbraw/zinc/54/59/68/926545968.db2.gz ODYNYYHWQHBKKP-CMPLNLGQSA-N 1 1 301.322 -1.490 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001420161084 926545985 /nfs/dbraw/zinc/54/59/85/926545985.db2.gz GYMAGIGYPSXBDI-ZCFIWIBFSA-N 1 1 313.343 -1.747 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nn1 ZINC001420155843 926546183 /nfs/dbraw/zinc/54/61/83/926546183.db2.gz MENUXMIGCGBXLQ-ONGXEEELSA-N 1 1 310.358 -2.092 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1coc(C2CC2)n1)[C@H]1CNC(=O)N1 ZINC001420157879 926546260 /nfs/dbraw/zinc/54/62/60/926546260.db2.gz RVNFJJFRORFJFH-WDEREUQCSA-N 1 1 323.353 -1.200 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001420157193 926546504 /nfs/dbraw/zinc/54/65/04/926546504.db2.gz LKUOQTNLPUVPJB-ONGXEEELSA-N 1 1 311.342 -1.305 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420156678 926547071 /nfs/dbraw/zinc/54/70/71/926547071.db2.gz BPBKSDJIJSZHJQ-JTQLQIEISA-N 1 1 321.341 -1.500 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1C ZINC001420162574 926548175 /nfs/dbraw/zinc/54/81/75/926548175.db2.gz UHWBILMBSRKOKO-JTQLQIEISA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CCC(=O)NC1 ZINC001420162827 926548361 /nfs/dbraw/zinc/54/83/61/926548361.db2.gz KOZOQOBESSDLPN-ZWNOBZJWSA-N 1 1 311.342 -1.447 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)N1CCCCCC1 ZINC001420163246 926549491 /nfs/dbraw/zinc/54/94/91/926549491.db2.gz VKFBIIDVYWKJBN-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCC(=O)NC2)nn1 ZINC001420165756 926549657 /nfs/dbraw/zinc/54/96/57/926549657.db2.gz OOXFQNABTMDNLN-RISCZKNCSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420167580 926550872 /nfs/dbraw/zinc/55/08/72/926550872.db2.gz VWUMZXCLBWXTRL-BDAKNGLRSA-N 1 1 311.346 -2.595 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1)c1nncn1C ZINC001420181128 926552521 /nfs/dbraw/zinc/55/25/21/926552521.db2.gz CDHNSEWAXIXZJV-NXEZZACHSA-N 1 1 307.358 -1.091 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001420176956 926552769 /nfs/dbraw/zinc/55/27/69/926552769.db2.gz VNWJKRHXZBSJAG-MXWKQRLJSA-N 1 1 324.385 -1.453 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177642 926554232 /nfs/dbraw/zinc/55/42/32/926554232.db2.gz JFXDLOCGDGACMW-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001420177642 926554244 /nfs/dbraw/zinc/55/42/44/926554244.db2.gz JFXDLOCGDGACMW-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177643 926554452 /nfs/dbraw/zinc/55/44/52/926554452.db2.gz JFXDLOCGDGACMW-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(C)=O ZINC001420177643 926554459 /nfs/dbraw/zinc/55/44/59/926554459.db2.gz JFXDLOCGDGACMW-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COCCO1)C[C@H]1CCS(=O)(=O)C1 ZINC001420182914 926555182 /nfs/dbraw/zinc/55/51/82/926555182.db2.gz NQHNRAVCNZULMI-NEPJUHHUSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)C[C@H]1CCS(=O)(=O)C1 ZINC001420182914 926555188 /nfs/dbraw/zinc/55/51/88/926555188.db2.gz NQHNRAVCNZULMI-NEPJUHHUSA-N 1 1 320.411 -1.116 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cnnn1)c1ncccn1 ZINC001420181854 926555757 /nfs/dbraw/zinc/55/57/57/926555757.db2.gz DTTJTICQJMBKOD-GHMZBOCLSA-N 1 1 320.357 -1.319 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnnn1)CCNS(C)(=O)=O ZINC001420184306 926557104 /nfs/dbraw/zinc/55/71/04/926557104.db2.gz ZZQWZYLLFKWIES-UHFFFAOYSA-N 1 1 305.364 -2.730 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)CCNS(C)(=O)=O ZINC001420184306 926557117 /nfs/dbraw/zinc/55/71/17/926557117.db2.gz ZZQWZYLLFKWIES-UHFFFAOYSA-N 1 1 305.364 -2.730 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001420193595 926557516 /nfs/dbraw/zinc/55/75/16/926557516.db2.gz SRBJQMBGWAHCEP-JTQLQIEISA-N 1 1 313.358 -1.201 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001420190031 926557875 /nfs/dbraw/zinc/55/78/75/926557875.db2.gz YAMNHUHRSIXPSV-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001420191211 926558088 /nfs/dbraw/zinc/55/80/88/926558088.db2.gz KHHGXUCRLDHVKX-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001420191211 926558092 /nfs/dbraw/zinc/55/80/92/926558092.db2.gz KHHGXUCRLDHVKX-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cncn2C)n1 ZINC001420197665 926559695 /nfs/dbraw/zinc/55/96/95/926559695.db2.gz PVFQSYGZWNWXKI-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001420193827 926560058 /nfs/dbraw/zinc/56/00/58/926560058.db2.gz JXGXLVGOSQLKAH-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001420193827 926560065 /nfs/dbraw/zinc/56/00/65/926560065.db2.gz JXGXLVGOSQLKAH-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001420199320 926562680 /nfs/dbraw/zinc/56/26/80/926562680.db2.gz VENMDECOIJEXJW-GHMZBOCLSA-N 1 1 324.385 -1.670 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420198693 926562845 /nfs/dbraw/zinc/56/28/45/926562845.db2.gz UFSIHBBKHMZULX-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420198693 926562853 /nfs/dbraw/zinc/56/28/53/926562853.db2.gz UFSIHBBKHMZULX-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](O)C[NH2+]Cc2ccon2)c(=O)n1C ZINC001420201877 926563158 /nfs/dbraw/zinc/56/31/58/926563158.db2.gz MPYLCJXEMBXCCX-LLVKDONJSA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ccn1 ZINC001420203599 926563434 /nfs/dbraw/zinc/56/34/34/926563434.db2.gz XSSHBBQJKBDDDT-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420198695 926563583 /nfs/dbraw/zinc/56/35/83/926563583.db2.gz UFSIHBBKHMZULX-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420198695 926563593 /nfs/dbraw/zinc/56/35/93/926563593.db2.gz UFSIHBBKHMZULX-SNVBAGLBSA-N 1 1 315.374 -2.179 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001420198626 926563632 /nfs/dbraw/zinc/56/36/32/926563632.db2.gz QSCYHIKVESOTMM-QMMMGPOBSA-N 1 1 309.330 -1.359 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)c(=O)n1C ZINC001420201878 926563857 /nfs/dbraw/zinc/56/38/57/926563857.db2.gz MPYLCJXEMBXCCX-NSHDSACASA-N 1 1 324.341 -1.855 20 0 DAADMO C[N@H+](CCNC(=O)CS(C)(=O)=O)C[C@@H](O)Cn1cccn1 ZINC001420199129 926563958 /nfs/dbraw/zinc/56/39/58/926563958.db2.gz PSDSYQPINGWCNM-LLVKDONJSA-N 1 1 318.399 -1.663 20 0 DAADMO C[N@@H+](CCNC(=O)CS(C)(=O)=O)C[C@@H](O)Cn1cccn1 ZINC001420199129 926563966 /nfs/dbraw/zinc/56/39/66/926563966.db2.gz PSDSYQPINGWCNM-LLVKDONJSA-N 1 1 318.399 -1.663 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CN[C@@H](C)c1nnnn1C ZINC001420207791 926564894 /nfs/dbraw/zinc/56/48/94/926564894.db2.gz ACMPJTGSDOUAKW-ONGXEEELSA-N 1 1 322.373 -1.457 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1coc(C)n1 ZINC001420210287 926565017 /nfs/dbraw/zinc/56/50/17/926565017.db2.gz ITLMBESXABKQON-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)no1 ZINC001420208014 926565692 /nfs/dbraw/zinc/56/56/92/926565692.db2.gz GFCDHHXFUIRUHJ-JTQLQIEISA-N 1 1 319.383 -1.016 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001420211264 926565809 /nfs/dbraw/zinc/56/58/09/926565809.db2.gz KUYKPILMDULNEH-OUJBWJOFSA-N 1 1 311.342 -1.609 20 0 DAADMO COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001420211264 926565817 /nfs/dbraw/zinc/56/58/17/926565817.db2.gz KUYKPILMDULNEH-OUJBWJOFSA-N 1 1 311.342 -1.609 20 0 DAADMO Cc1conc1C[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001420206432 926565989 /nfs/dbraw/zinc/56/59/89/926565989.db2.gz ALSIZFANXSKKDX-JTQLQIEISA-N 1 1 323.353 -1.099 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001420221090 926568121 /nfs/dbraw/zinc/56/81/21/926568121.db2.gz HXTYROYHQPCXEC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001420221090 926568131 /nfs/dbraw/zinc/56/81/31/926568131.db2.gz HXTYROYHQPCXEC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001420229869 926568424 /nfs/dbraw/zinc/56/84/24/926568424.db2.gz ACLSJELRSUVTOP-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001420229869 926568430 /nfs/dbraw/zinc/56/84/30/926568430.db2.gz ACLSJELRSUVTOP-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC001420226637 926568804 /nfs/dbraw/zinc/56/88/04/926568804.db2.gz YAAZVWXYCSKFIR-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)N1CCCC1)[C@@H]1CCNC1=O ZINC001420226637 926568815 /nfs/dbraw/zinc/56/88/15/926568815.db2.gz YAAZVWXYCSKFIR-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001420241005 926569757 /nfs/dbraw/zinc/56/97/57/926569757.db2.gz UFSCREFYTFAAGY-LLVKDONJSA-N 1 1 312.370 -1.370 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1=O)[C@@H]1CCCNC1=O ZINC001420243540 926569972 /nfs/dbraw/zinc/56/99/72/926569972.db2.gz JXHOLAZVAFCZBV-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@@H]1CCCNC1=O ZINC001420243540 926569982 /nfs/dbraw/zinc/56/99/82/926569982.db2.gz JXHOLAZVAFCZBV-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNCc1nnnn1C ZINC001420248481 926570606 /nfs/dbraw/zinc/57/06/06/926570606.db2.gz CMZYQQLQWHCWME-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNCc1nnnn1C ZINC001420248427 926570640 /nfs/dbraw/zinc/57/06/40/926570640.db2.gz CMZYQQLQWHCWME-JTQLQIEISA-N 1 1 308.346 -2.018 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1=O)[C@H]1CCCNC1=O ZINC001420243541 926571108 /nfs/dbraw/zinc/57/11/08/926571108.db2.gz JXHOLAZVAFCZBV-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@H]1CCCNC1=O ZINC001420243541 926571114 /nfs/dbraw/zinc/57/11/14/926571114.db2.gz JXHOLAZVAFCZBV-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)ccc2=O)nn1 ZINC001420253239 926572975 /nfs/dbraw/zinc/57/29/75/926572975.db2.gz GJGWONLUTSPRLJ-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001420254737 926573237 /nfs/dbraw/zinc/57/32/37/926573237.db2.gz OMOSFHXDIXOUHE-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001420256264 926573688 /nfs/dbraw/zinc/57/36/88/926573688.db2.gz YHILVUSTDQWZOU-NSHDSACASA-N 1 1 309.370 -1.127 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001420256264 926573696 /nfs/dbraw/zinc/57/36/96/926573696.db2.gz YHILVUSTDQWZOU-NSHDSACASA-N 1 1 309.370 -1.127 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H]1COC(=O)N1 ZINC001420277694 926574347 /nfs/dbraw/zinc/57/43/47/926574347.db2.gz WAHDCCYJIIGXLE-BDAKNGLRSA-N 1 1 324.341 -1.489 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H]1C[C@]12CCOC2 ZINC001420279955 926574669 /nfs/dbraw/zinc/57/46/69/926574669.db2.gz CATYEFYNIJYQDB-CJNGLKHVSA-N 1 1 324.425 -1.107 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@H]1C[C@@]12CCOC2 ZINC001420279959 926575133 /nfs/dbraw/zinc/57/51/33/926575133.db2.gz CATYEFYNIJYQDB-CZUORRHYSA-N 1 1 324.425 -1.107 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC001420284032 926575649 /nfs/dbraw/zinc/57/56/49/926575649.db2.gz KKTKGEVYNUNYAG-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)CCNS(C)(=O)=O ZINC001420291178 926576912 /nfs/dbraw/zinc/57/69/12/926576912.db2.gz DBGJXOLAUQYCQV-UHFFFAOYSA-N 1 1 317.371 -2.019 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CCNS(C)(=O)=O ZINC001420291178 926576920 /nfs/dbraw/zinc/57/69/20/926576920.db2.gz DBGJXOLAUQYCQV-UHFFFAOYSA-N 1 1 317.371 -2.019 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)CNC(=O)NC ZINC001420302167 926577083 /nfs/dbraw/zinc/57/70/83/926577083.db2.gz ZZMSKOSULKBOKM-SECBINFHSA-N 1 1 312.378 -1.394 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294365 926577203 /nfs/dbraw/zinc/57/72/03/926577203.db2.gz NJFGXRDEGTUEBX-VIFPVBQESA-N 1 1 304.347 -1.849 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](COC)OC ZINC001420294365 926577207 /nfs/dbraw/zinc/57/72/07/926577207.db2.gz NJFGXRDEGTUEBX-VIFPVBQESA-N 1 1 304.347 -1.849 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294418 926577659 /nfs/dbraw/zinc/57/76/59/926577659.db2.gz OMAKHTDESVSLTK-NXEZZACHSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](COC)OC ZINC001420294418 926577666 /nfs/dbraw/zinc/57/76/66/926577666.db2.gz OMAKHTDESVSLTK-NXEZZACHSA-N 1 1 318.374 -1.460 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001420295254 926577935 /nfs/dbraw/zinc/57/79/35/926577935.db2.gz AUWDCNCJUKJGOJ-SECBINFHSA-N 1 1 312.374 -1.188 20 0 DAADMO O=C(CCc1nc(-c2nc[nH]n2)no1)N1CC([NH2+]C2COC2)C1 ZINC001420297794 926578727 /nfs/dbraw/zinc/57/87/27/926578727.db2.gz KFFVVNWOULWSDS-UHFFFAOYSA-N 1 1 319.325 -1.014 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001420298043 926578909 /nfs/dbraw/zinc/57/89/09/926578909.db2.gz DTHQGNDYSOJXMI-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001420298043 926578918 /nfs/dbraw/zinc/57/89/18/926578918.db2.gz DTHQGNDYSOJXMI-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO CCn1nc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)ccc1=O ZINC001420316042 926579702 /nfs/dbraw/zinc/57/97/02/926579702.db2.gz MLRYTIYYMWYRCX-UHFFFAOYSA-N 1 1 324.341 -1.880 20 0 DAADMO CCn1nc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)ccc1=O ZINC001420316042 926579711 /nfs/dbraw/zinc/57/97/11/926579711.db2.gz MLRYTIYYMWYRCX-UHFFFAOYSA-N 1 1 324.341 -1.880 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cc1nonc1C ZINC001420326477 926580457 /nfs/dbraw/zinc/58/04/57/926580457.db2.gz ZCPQEYYTOKGXHY-UHFFFAOYSA-N 1 1 312.330 -1.576 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cc1nonc1C ZINC001420326477 926580473 /nfs/dbraw/zinc/58/04/73/926580473.db2.gz ZCPQEYYTOKGXHY-UHFFFAOYSA-N 1 1 312.330 -1.576 20 0 DAADMO C[C@@H](O)C[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001420343669 926581653 /nfs/dbraw/zinc/58/16/53/926581653.db2.gz HKWVYSZRNPZEPT-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001420343669 926581663 /nfs/dbraw/zinc/58/16/63/926581663.db2.gz HKWVYSZRNPZEPT-LLVKDONJSA-N 1 1 307.416 -1.854 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001420343685 926581871 /nfs/dbraw/zinc/58/18/71/926581871.db2.gz HPYQNQLFEJOEOP-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001420343685 926581883 /nfs/dbraw/zinc/58/18/83/926581883.db2.gz HPYQNQLFEJOEOP-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)ccc1=O ZINC001420338238 926581936 /nfs/dbraw/zinc/58/19/36/926581936.db2.gz AYGIGNZGBZOVPW-UHFFFAOYSA-N 1 1 321.381 -1.032 20 0 DAADMO Cn1ccc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001420340535 926582157 /nfs/dbraw/zinc/58/21/57/926582157.db2.gz DANKMOOROLOWGL-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO Cn1ccc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001420340535 926582164 /nfs/dbraw/zinc/58/21/64/926582164.db2.gz DANKMOOROLOWGL-UHFFFAOYSA-N 1 1 303.388 -1.369 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001420350073 926582651 /nfs/dbraw/zinc/58/26/51/926582651.db2.gz FPJWCHDFIAAVLL-GHMZBOCLSA-N 1 1 307.416 -1.856 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cncn1)C[C@H]1CCS(=O)(=O)C1 ZINC001420338356 926582699 /nfs/dbraw/zinc/58/26/99/926582699.db2.gz CBBICTHISLJSAX-LLVKDONJSA-N 1 1 315.399 -1.239 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)C[C@H]1CCS(=O)(=O)C1 ZINC001420338356 926582706 /nfs/dbraw/zinc/58/27/06/926582706.db2.gz CBBICTHISLJSAX-LLVKDONJSA-N 1 1 315.399 -1.239 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001420346924 926582900 /nfs/dbraw/zinc/58/29/00/926582900.db2.gz PVMDXXKWUROJBE-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001420346924 926582910 /nfs/dbraw/zinc/58/29/10/926582910.db2.gz PVMDXXKWUROJBE-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)c(=O)n1C ZINC001420346855 926583037 /nfs/dbraw/zinc/58/30/37/926583037.db2.gz WKDSDHZYQNADJQ-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)c(=O)n1C ZINC001420346855 926583046 /nfs/dbraw/zinc/58/30/46/926583046.db2.gz WKDSDHZYQNADJQ-NSHDSACASA-N 1 1 324.385 -1.831 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2cc[nH]c12)CC(=O)NC(N)=O ZINC001420334838 926583246 /nfs/dbraw/zinc/58/32/46/926583246.db2.gz HKFSLJZLINOQRO-UHFFFAOYSA-N 1 1 307.314 -1.481 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2cc[nH]c12)CC(=O)NC(N)=O ZINC001420334838 926583248 /nfs/dbraw/zinc/58/32/48/926583248.db2.gz HKFSLJZLINOQRO-UHFFFAOYSA-N 1 1 307.314 -1.481 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cncn1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420338359 926583610 /nfs/dbraw/zinc/58/36/10/926583610.db2.gz CBBICTHISLJSAX-NSHDSACASA-N 1 1 315.399 -1.239 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cncn1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420338359 926583619 /nfs/dbraw/zinc/58/36/19/926583619.db2.gz CBBICTHISLJSAX-NSHDSACASA-N 1 1 315.399 -1.239 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001420348307 926583653 /nfs/dbraw/zinc/58/36/53/926583653.db2.gz ZQBFOHUHFPFJIJ-UHFFFAOYSA-N 1 1 323.353 -1.648 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001420348307 926583660 /nfs/dbraw/zinc/58/36/60/926583660.db2.gz ZQBFOHUHFPFJIJ-UHFFFAOYSA-N 1 1 323.353 -1.648 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001420333240 926583757 /nfs/dbraw/zinc/58/37/57/926583757.db2.gz KNELFMXNVWXKPM-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001420333240 926583761 /nfs/dbraw/zinc/58/37/61/926583761.db2.gz KNELFMXNVWXKPM-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+](CCNC(=O)c1cc(C(N)=O)ccn1)[C@@H]1CCNC1=O ZINC001420364311 926584754 /nfs/dbraw/zinc/58/47/54/926584754.db2.gz LUZSZSFARNVBES-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc(C(N)=O)ccn1)[C@@H]1CCNC1=O ZINC001420364311 926584763 /nfs/dbraw/zinc/58/47/63/926584763.db2.gz LUZSZSFARNVBES-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)nc1)[C@@H]1CCNC1=O ZINC001420360448 926585802 /nfs/dbraw/zinc/58/58/02/926585802.db2.gz YLZKJDZFIBQZFT-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)nc1)[C@@H]1CCNC1=O ZINC001420360448 926585809 /nfs/dbraw/zinc/58/58/09/926585809.db2.gz YLZKJDZFIBQZFT-LLVKDONJSA-N 1 1 305.338 -1.269 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COC(=O)N1)CCN1CCNC1=O ZINC001420381368 926586616 /nfs/dbraw/zinc/58/66/16/926586616.db2.gz FYLJSGGRRAGBMQ-JTQLQIEISA-N 1 1 313.358 -1.442 20 0 DAADMO CC[N@H+](CCNC(=O)CCc1nccn1C)CC(=O)NC(N)=O ZINC001420411178 926589054 /nfs/dbraw/zinc/58/90/54/926589054.db2.gz AKSSFMJZXHPKQB-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)CCc1nccn1C)CC(=O)NC(N)=O ZINC001420411178 926589066 /nfs/dbraw/zinc/58/90/66/926589066.db2.gz AKSSFMJZXHPKQB-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001420419454 926589095 /nfs/dbraw/zinc/58/90/95/926589095.db2.gz SBQVILWQDTXIPJ-YUMQZZPRSA-N 1 1 316.387 -1.590 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1CCF)NC(=O)[C@H](C)NC(N)=O ZINC001420413817 926589116 /nfs/dbraw/zinc/58/91/16/926589116.db2.gz MGORXHIYDAPVHT-IUCAKERBSA-N 1 1 315.353 -1.101 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2nncn2C)nn1 ZINC001420422333 926589491 /nfs/dbraw/zinc/58/94/91/926589491.db2.gz SIWXIABGCDWSDD-JTQLQIEISA-N 1 1 322.373 -1.039 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCN1CCCC1=O ZINC001420422762 926589644 /nfs/dbraw/zinc/58/96/44/926589644.db2.gz BPIKCXCCATVIEP-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001420419569 926589925 /nfs/dbraw/zinc/58/99/25/926589925.db2.gz HTHFWWUTJZRBGC-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cnn[nH]1 ZINC001420445547 926591231 /nfs/dbraw/zinc/59/12/31/926591231.db2.gz RYPQNXZHQJKIQF-IUCAKERBSA-N 1 1 301.372 -1.053 20 0 DAADMO C[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)CN1CCOCC1 ZINC001420435392 926591298 /nfs/dbraw/zinc/59/12/98/926591298.db2.gz USMOTABOKBKXNK-NSHDSACASA-N 1 1 300.403 -1.076 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001420424779 926591357 /nfs/dbraw/zinc/59/13/57/926591357.db2.gz IKUIXWXDHDBXIJ-RYUDHWBXSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001420433236 926591665 /nfs/dbraw/zinc/59/16/65/926591665.db2.gz HUQHGXGVJUJIFJ-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)NC(=O)Cc1nnc[nH]1 ZINC001420442114 926592569 /nfs/dbraw/zinc/59/25/69/926592569.db2.gz UFYQLIDXBLLMKZ-GHMZBOCLSA-N 1 1 307.358 -1.301 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001420482240 926593459 /nfs/dbraw/zinc/59/34/59/926593459.db2.gz IFEBUZVUHMVOQS-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001420482240 926593450 /nfs/dbraw/zinc/59/34/50/926593450.db2.gz IFEBUZVUHMVOQS-SECBINFHSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001420460974 926593820 /nfs/dbraw/zinc/59/38/20/926593820.db2.gz SRWCXSVLNXPPMV-GUBZILKMSA-N 1 1 309.374 -1.014 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCN(C)C1=O ZINC001420479900 926593923 /nfs/dbraw/zinc/59/39/23/926593923.db2.gz FBTMRYRVKMFOLO-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)nn1 ZINC001420454773 926594645 /nfs/dbraw/zinc/59/46/45/926594645.db2.gz DRVGXKZWMNYCIK-NSHDSACASA-N 1 1 323.401 -1.676 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001420493836 926595670 /nfs/dbraw/zinc/59/56/70/926595670.db2.gz MQLFXLDVBDGRJC-SNVBAGLBSA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001420493836 926595677 /nfs/dbraw/zinc/59/56/77/926595677.db2.gz MQLFXLDVBDGRJC-SNVBAGLBSA-N 1 1 310.358 -1.602 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](O)COC ZINC001420488684 926595974 /nfs/dbraw/zinc/59/59/74/926595974.db2.gz VXPIVVIAEAQWMA-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2ccon2)C1 ZINC001420511388 926596000 /nfs/dbraw/zinc/59/60/00/926596000.db2.gz CASNMTXVRISKFG-SECBINFHSA-N 1 1 309.326 -1.150 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001420485111 926596159 /nfs/dbraw/zinc/59/61/59/926596159.db2.gz XUCNCCMPZLMCHW-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001420498223 926596271 /nfs/dbraw/zinc/59/62/71/926596271.db2.gz WSXUQOSZIJOZIN-NSHDSACASA-N 1 1 319.365 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccccn1 ZINC001420498223 926596281 /nfs/dbraw/zinc/59/62/81/926596281.db2.gz WSXUQOSZIJOZIN-NSHDSACASA-N 1 1 319.365 -1.123 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001420496622 926596382 /nfs/dbraw/zinc/59/63/82/926596382.db2.gz BKMJMSQUGBOWNR-KBPBESRZSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001420495668 926597181 /nfs/dbraw/zinc/59/71/81/926597181.db2.gz VAKKEBAOPYIIGR-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO O=C(Cn1cncn1)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001420496077 926597681 /nfs/dbraw/zinc/59/76/81/926597681.db2.gz VOSJZBBPCYUHHC-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001420502244 926597760 /nfs/dbraw/zinc/59/77/60/926597760.db2.gz LMNKFKZXTDDYRB-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC001420485872 926597850 /nfs/dbraw/zinc/59/78/50/926597850.db2.gz QCCKDKKXISCKIH-QWRGUYRKSA-N 1 1 322.369 -1.565 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001420534744 926598445 /nfs/dbraw/zinc/59/84/45/926598445.db2.gz GEEPSHFGWYSSEF-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001420534744 926598453 /nfs/dbraw/zinc/59/84/53/926598453.db2.gz GEEPSHFGWYSSEF-JTQLQIEISA-N 1 1 309.374 -1.212 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001420535420 926598600 /nfs/dbraw/zinc/59/86/00/926598600.db2.gz DNLKHNROMPYRRR-NWDGAFQWSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001420536650 926599362 /nfs/dbraw/zinc/59/93/62/926599362.db2.gz CLRORCPWPXJPEF-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001420536650 926599368 /nfs/dbraw/zinc/59/93/68/926599368.db2.gz CLRORCPWPXJPEF-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001420516323 926599851 /nfs/dbraw/zinc/59/98/51/926599851.db2.gz AZGVDZVQOLGHQI-VIFPVBQESA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001420528936 926600041 /nfs/dbraw/zinc/60/00/41/926600041.db2.gz DAHHBVDFOFRDGF-VHSXEESVSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001420528936 926600048 /nfs/dbraw/zinc/60/00/48/926600048.db2.gz DAHHBVDFOFRDGF-VHSXEESVSA-N 1 1 320.415 -1.474 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001420552988 926600817 /nfs/dbraw/zinc/60/08/17/926600817.db2.gz DIQIOHJNQCZACK-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001420552988 926600824 /nfs/dbraw/zinc/60/08/24/926600824.db2.gz DIQIOHJNQCZACK-SNVBAGLBSA-N 1 1 315.399 -1.170 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001420566885 926601052 /nfs/dbraw/zinc/60/10/52/926601052.db2.gz MVGKUKOHWBWNIC-JTQLQIEISA-N 1 1 322.369 -1.154 20 0 DAADMO C[C@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001420577011 926601098 /nfs/dbraw/zinc/60/10/98/926601098.db2.gz PPSGENXVHRWXGI-ZJUUUORDSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)[C@H](C)NC(N)=O ZINC001420577011 926601101 /nfs/dbraw/zinc/60/11/01/926601101.db2.gz PPSGENXVHRWXGI-ZJUUUORDSA-N 1 1 322.431 -1.086 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001420561027 926601729 /nfs/dbraw/zinc/60/17/29/926601729.db2.gz UYNLZAQTXFNPNZ-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420590245 926602919 /nfs/dbraw/zinc/60/29/19/926602919.db2.gz OEDCAVFIIWXNEP-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001420590245 926602927 /nfs/dbraw/zinc/60/29/27/926602927.db2.gz OEDCAVFIIWXNEP-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001420612605 926603049 /nfs/dbraw/zinc/60/30/49/926603049.db2.gz CQANHBMWGXUWSU-JGVFFNPUSA-N 1 1 314.346 -2.440 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001420612605 926603057 /nfs/dbraw/zinc/60/30/57/926603057.db2.gz CQANHBMWGXUWSU-JGVFFNPUSA-N 1 1 314.346 -2.440 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420605656 926603398 /nfs/dbraw/zinc/60/33/98/926603398.db2.gz BKLYNJMAYDVYHR-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420605656 926603404 /nfs/dbraw/zinc/60/34/04/926603404.db2.gz BKLYNJMAYDVYHR-JGVFFNPUSA-N 1 1 314.346 -2.359 20 0 DAADMO CCC[N@H+](CCNC(=O)CNC(=O)NC)CC(=O)N(C)C ZINC001420588195 926603587 /nfs/dbraw/zinc/60/35/87/926603587.db2.gz BBOQYUGRQAKRAV-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO CCC[N@@H+](CCNC(=O)CNC(=O)NC)CC(=O)N(C)C ZINC001420588195 926603593 /nfs/dbraw/zinc/60/35/93/926603593.db2.gz BBOQYUGRQAKRAV-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420605661 926603604 /nfs/dbraw/zinc/60/36/04/926603604.db2.gz BKLYNJMAYDVYHR-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420605661 926603610 /nfs/dbraw/zinc/60/36/10/926603610.db2.gz BKLYNJMAYDVYHR-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420577604 926603628 /nfs/dbraw/zinc/60/36/28/926603628.db2.gz AZRRTYQGLRDWAB-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420577604 926603634 /nfs/dbraw/zinc/60/36/34/926603634.db2.gz AZRRTYQGLRDWAB-IUCAKERBSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420585734 926603868 /nfs/dbraw/zinc/60/38/68/926603868.db2.gz ZDMOXSNDLTZSOZ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001420610183 926604017 /nfs/dbraw/zinc/60/40/17/926604017.db2.gz GAJDCRUARQAXCT-NSHDSACASA-N 1 1 323.401 -1.061 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)CC(N)=O ZINC001420610183 926604023 /nfs/dbraw/zinc/60/40/23/926604023.db2.gz GAJDCRUARQAXCT-NSHDSACASA-N 1 1 323.401 -1.061 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C1CC1 ZINC001420581406 926604246 /nfs/dbraw/zinc/60/42/46/926604246.db2.gz LCTGKZCBZXBHHF-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001420581406 926604249 /nfs/dbraw/zinc/60/42/49/926604249.db2.gz LCTGKZCBZXBHHF-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001420583376 926604277 /nfs/dbraw/zinc/60/42/77/926604277.db2.gz OETTVYYCFCLXJT-SECBINFHSA-N 1 1 323.419 -2.099 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001420583376 926604280 /nfs/dbraw/zinc/60/42/80/926604280.db2.gz OETTVYYCFCLXJT-SECBINFHSA-N 1 1 323.419 -2.099 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C1CC1 ZINC001420581403 926604382 /nfs/dbraw/zinc/60/43/82/926604382.db2.gz LCTGKZCBZXBHHF-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001420581403 926604384 /nfs/dbraw/zinc/60/43/84/926604384.db2.gz LCTGKZCBZXBHHF-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001420609236 926604447 /nfs/dbraw/zinc/60/44/47/926604447.db2.gz HWNJQEOUNDXWNP-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001420609236 926604452 /nfs/dbraw/zinc/60/44/52/926604452.db2.gz HWNJQEOUNDXWNP-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C[N@@H+](C)CC1CC1)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001420626710 926605560 /nfs/dbraw/zinc/60/55/60/926605560.db2.gz ZZNVNZYLAKAYSV-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001420644446 926606946 /nfs/dbraw/zinc/60/69/46/926606946.db2.gz FTVOBVNTFMOVME-ZJUUUORDSA-N 1 1 313.362 -2.393 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001420631846 926607040 /nfs/dbraw/zinc/60/70/40/926607040.db2.gz UYHFUFIUSUZLCN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001420631846 926607045 /nfs/dbraw/zinc/60/70/45/926607045.db2.gz UYHFUFIUSUZLCN-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001420631842 926607111 /nfs/dbraw/zinc/60/71/11/926607111.db2.gz UYHFUFIUSUZLCN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)Cn2cnnn2)C2CC2)C1=O ZINC001420631842 926607117 /nfs/dbraw/zinc/60/71/17/926607117.db2.gz UYHFUFIUSUZLCN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001420659681 926608388 /nfs/dbraw/zinc/60/83/88/926608388.db2.gz LDZBHXODIUOISG-SNVBAGLBSA-N 1 1 319.369 -1.151 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001420659681 926608395 /nfs/dbraw/zinc/60/83/95/926608395.db2.gz LDZBHXODIUOISG-SNVBAGLBSA-N 1 1 319.369 -1.151 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420660832 926608695 /nfs/dbraw/zinc/60/86/95/926608695.db2.gz YFNSXBWCKKBQEY-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420660832 926608699 /nfs/dbraw/zinc/60/86/99/926608699.db2.gz YFNSXBWCKKBQEY-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001420665152 926609097 /nfs/dbraw/zinc/60/90/97/926609097.db2.gz AFVFZSQJSLOSHV-NSHDSACASA-N 1 1 317.411 -1.110 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001420659679 926609189 /nfs/dbraw/zinc/60/91/89/926609189.db2.gz LDZBHXODIUOISG-JTQLQIEISA-N 1 1 319.369 -1.151 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001420659679 926609195 /nfs/dbraw/zinc/60/91/95/926609195.db2.gz LDZBHXODIUOISG-JTQLQIEISA-N 1 1 319.369 -1.151 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001420684857 926609953 /nfs/dbraw/zinc/60/99/53/926609953.db2.gz NWJJVSCFIUSIQF-GHMZBOCLSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001420684857 926609960 /nfs/dbraw/zinc/60/99/60/926609960.db2.gz NWJJVSCFIUSIQF-GHMZBOCLSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001420692549 926610102 /nfs/dbraw/zinc/61/01/02/926610102.db2.gz NPCSNORDDJPDAU-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001420692549 926610109 /nfs/dbraw/zinc/61/01/09/926610109.db2.gz NPCSNORDDJPDAU-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001420712785 926610189 /nfs/dbraw/zinc/61/01/89/926610189.db2.gz XXEVHTHUQSBQGU-SNVBAGLBSA-N 1 1 305.346 -1.514 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001420705508 926610672 /nfs/dbraw/zinc/61/06/72/926610672.db2.gz BUKHSXOKCAUQKD-LLVKDONJSA-N 1 1 319.373 -1.031 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001420689848 926610920 /nfs/dbraw/zinc/61/09/20/926610920.db2.gz ILZRXVPPBOVKKP-MRVPVSSYSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001420689848 926610932 /nfs/dbraw/zinc/61/09/32/926610932.db2.gz ILZRXVPPBOVKKP-MRVPVSSYSA-N 1 1 306.388 -2.010 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)[nH]1 ZINC001420735079 926611963 /nfs/dbraw/zinc/61/19/63/926611963.db2.gz KBBCVQUDUQZHAC-JTQLQIEISA-N 1 1 319.373 -1.136 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001420725973 926612778 /nfs/dbraw/zinc/61/27/78/926612778.db2.gz JRAUAQRIYNZWIJ-VIFPVBQESA-N 1 1 311.346 -1.450 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001420718536 926613180 /nfs/dbraw/zinc/61/31/80/926613180.db2.gz FTYMPZLZCVYWOP-MRVPVSSYSA-N 1 1 306.388 -2.010 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001420718536 926613187 /nfs/dbraw/zinc/61/31/87/926613187.db2.gz FTYMPZLZCVYWOP-MRVPVSSYSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)c1cn(C)c(=O)n1C)c1nnnn1C ZINC001420749232 926614139 /nfs/dbraw/zinc/61/41/39/926614139.db2.gz ZZROIBBWDPRBFJ-VIFPVBQESA-N 1 1 322.373 -1.330 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)c2ccccc2)NC1=O ZINC001420772927 926616876 /nfs/dbraw/zinc/61/68/76/926616876.db2.gz HHBCSPULSMULRP-NEPJUHHUSA-N 1 1 319.365 -1.058 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420831212 926618742 /nfs/dbraw/zinc/61/87/42/926618742.db2.gz GUDKGIDRQIPGST-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCOCC1 ZINC001420811257 926618817 /nfs/dbraw/zinc/61/88/17/926618817.db2.gz KZZPEHAELPPZNR-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCOCC1 ZINC001420811253 926618919 /nfs/dbraw/zinc/61/89/19/926618919.db2.gz KZZPEHAELPPZNR-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420826084 926619526 /nfs/dbraw/zinc/61/95/26/926619526.db2.gz OCSUWBIQFPYGTE-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001420807593 926619549 /nfs/dbraw/zinc/61/95/49/926619549.db2.gz BUXJSNHDIUKLNQ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420807593 926619552 /nfs/dbraw/zinc/61/95/52/926619552.db2.gz BUXJSNHDIUKLNQ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420838059 926619805 /nfs/dbraw/zinc/61/98/05/926619805.db2.gz WQXKANWASZLKDW-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420838074 926619827 /nfs/dbraw/zinc/61/98/27/926619827.db2.gz WQXKANWASZLKDW-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001420828022 926619931 /nfs/dbraw/zinc/61/99/31/926619931.db2.gz BOODLTPXWIGIKU-LLVKDONJSA-N 1 1 322.431 -1.703 20 0 DAADMO Cn1ncnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420849764 926620743 /nfs/dbraw/zinc/62/07/43/926620743.db2.gz JKZAYJHLSIMLLW-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1ncnc1C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420849764 926620753 /nfs/dbraw/zinc/62/07/53/926620753.db2.gz JKZAYJHLSIMLLW-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001420844905 926620809 /nfs/dbraw/zinc/62/08/09/926620809.db2.gz FKOKAGTVCXZSSL-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001420842283 926621531 /nfs/dbraw/zinc/62/15/31/926621531.db2.gz ZKFUQBKTWHZYGV-GFCCVEGCSA-N 1 1 319.427 -1.158 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001420844917 926621616 /nfs/dbraw/zinc/62/16/16/926621616.db2.gz FKOKAGTVCXZSSL-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420844020 926621799 /nfs/dbraw/zinc/62/17/99/926621799.db2.gz DBNAOIXHEVIKCA-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420844020 926621808 /nfs/dbraw/zinc/62/18/08/926621808.db2.gz DBNAOIXHEVIKCA-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001420839633 926621832 /nfs/dbraw/zinc/62/18/32/926621832.db2.gz JGHJNSIQUICLAM-MWLCHTKSSA-N 1 1 300.359 -2.190 20 0 DAADMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001420878172 926623009 /nfs/dbraw/zinc/62/30/09/926623009.db2.gz BHPMWJDLSXPWFY-SECBINFHSA-N 1 1 323.353 -1.587 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001420880039 926623056 /nfs/dbraw/zinc/62/30/56/926623056.db2.gz VYZJSUBZCZKXQX-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001420880039 926623068 /nfs/dbraw/zinc/62/30/68/926623068.db2.gz VYZJSUBZCZKXQX-ZJUUUORDSA-N 1 1 311.346 -2.639 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420865303 926623109 /nfs/dbraw/zinc/62/31/09/926623109.db2.gz BSEAVVHDNUFOOL-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420881752 926623407 /nfs/dbraw/zinc/62/34/07/926623407.db2.gz ZHWZIYMFLIDCKD-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420881757 926624232 /nfs/dbraw/zinc/62/42/32/926624232.db2.gz ZHWZIYMFLIDCKD-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCS(=O)(=O)N(C)C ZINC001420897591 926626314 /nfs/dbraw/zinc/62/63/14/926626314.db2.gz IISYZFNBUZPLBU-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001420928266 926627056 /nfs/dbraw/zinc/62/70/56/926627056.db2.gz UCGUMSFPIZLXPP-NSHDSACASA-N 1 1 314.386 -1.643 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001420911963 926627171 /nfs/dbraw/zinc/62/71/71/926627171.db2.gz LKNQVBXHDARFHQ-MNOVXSKESA-N 1 1 312.370 -1.465 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)cc1=O ZINC001420924013 926627321 /nfs/dbraw/zinc/62/73/21/926627321.db2.gz IQTIPLOSCMCHDR-SNVBAGLBSA-N 1 1 307.354 -1.341 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001420932531 926627975 /nfs/dbraw/zinc/62/79/75/926627975.db2.gz XTPGARMBMKRHJH-QJPTWQEYSA-N 1 1 316.402 -1.169 20 0 DAADMO Cn1cc(CNC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001420917418 926628341 /nfs/dbraw/zinc/62/83/41/926628341.db2.gz GSHONVONZPQIAZ-GFCCVEGCSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cc(CNC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001420917418 926628345 /nfs/dbraw/zinc/62/83/45/926628345.db2.gz GSHONVONZPQIAZ-GFCCVEGCSA-N 1 1 308.386 -1.116 20 0 DAADMO C[NH+](C)CCn1ccc(C(=O)NCC2(NCC(N)=O)CC2)n1 ZINC001420942422 926629213 /nfs/dbraw/zinc/62/92/13/926629213.db2.gz SJERUJQPDIRKKP-UHFFFAOYSA-N 1 1 308.386 -1.218 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001420936643 926630792 /nfs/dbraw/zinc/63/07/92/926630792.db2.gz HXKIKMPOQAZAOF-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001420948107 926630822 /nfs/dbraw/zinc/63/08/22/926630822.db2.gz WJZCFCBLQNCHRP-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@]3(C)CCC(=O)N3)CC2)nc1=O ZINC001420973037 926631956 /nfs/dbraw/zinc/63/19/56/926631956.db2.gz AGIYWHVWPJVKEZ-ZDUSSCGKSA-N 1 1 322.369 -1.485 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001420971490 926631981 /nfs/dbraw/zinc/63/19/81/926631981.db2.gz FBRZXXSDROZTIC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001420971490 926631991 /nfs/dbraw/zinc/63/19/91/926631991.db2.gz FBRZXXSDROZTIC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001420985406 926632330 /nfs/dbraw/zinc/63/23/30/926632330.db2.gz DGFFARAXLMGCRZ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001420985406 926632338 /nfs/dbraw/zinc/63/23/38/926632338.db2.gz DGFFARAXLMGCRZ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001420983624 926632355 /nfs/dbraw/zinc/63/23/55/926632355.db2.gz SQZAMICILSXYGK-JTQLQIEISA-N 1 1 324.385 -1.239 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H](C[N@@H+](C)CCCO)C2)c1=O ZINC001421023224 926634957 /nfs/dbraw/zinc/63/49/57/926634957.db2.gz XGGPCJQYAZQHSE-GFCCVEGCSA-N 1 1 311.386 -1.256 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001421031688 926635765 /nfs/dbraw/zinc/63/57/65/926635765.db2.gz QHHLVYDEDMNSLA-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001421031688 926635770 /nfs/dbraw/zinc/63/57/70/926635770.db2.gz QHHLVYDEDMNSLA-AWEZNQCLSA-N 1 1 311.386 -1.285 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001421062074 926639209 /nfs/dbraw/zinc/63/92/09/926639209.db2.gz FZRUPWIYXAHJSS-LLVKDONJSA-N 1 1 310.354 -1.456 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001421058317 926639350 /nfs/dbraw/zinc/63/93/50/926639350.db2.gz IXNCYUGLFUCUEI-LLVKDONJSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001421090081 926642660 /nfs/dbraw/zinc/64/26/60/926642660.db2.gz DOHKQUJQEMMVQU-NSHDSACASA-N 1 1 312.370 -1.513 20 0 DAADMO CCCC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001421144196 926649666 /nfs/dbraw/zinc/64/96/66/926649666.db2.gz JRKZKMOFESANNX-SNVBAGLBSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192656 926652092 /nfs/dbraw/zinc/65/20/92/926652092.db2.gz NRELUMAIZXXALD-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001421192656 926652098 /nfs/dbraw/zinc/65/20/98/926652098.db2.gz NRELUMAIZXXALD-SDBXPKJASA-N 1 1 323.357 -1.407 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001421199436 926654052 /nfs/dbraw/zinc/65/40/52/926654052.db2.gz AHVJJPULTFFFGI-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001421206376 926654255 /nfs/dbraw/zinc/65/42/55/926654255.db2.gz XPEBXOXBWGMTBE-UWVGGRQHSA-N 1 1 306.388 -2.340 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001421206376 926654261 /nfs/dbraw/zinc/65/42/61/926654261.db2.gz XPEBXOXBWGMTBE-UWVGGRQHSA-N 1 1 306.388 -2.340 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001421199527 926654929 /nfs/dbraw/zinc/65/49/29/926654929.db2.gz AQKOMRXSSWWWAV-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001421199527 926654938 /nfs/dbraw/zinc/65/49/38/926654938.db2.gz AQKOMRXSSWWWAV-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001421195445 926655133 /nfs/dbraw/zinc/65/51/33/926655133.db2.gz OCVMWFINHZUGOA-ZDUSSCGKSA-N 1 1 322.373 -1.721 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001421197356 926655274 /nfs/dbraw/zinc/65/52/74/926655274.db2.gz XTNYGULRQGPBCD-GFCCVEGCSA-N 1 1 322.431 -1.703 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001421199439 926655783 /nfs/dbraw/zinc/65/57/83/926655783.db2.gz AHVJJPULTFFFGI-LBPRGKRZSA-N 1 1 307.416 -1.111 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421223285 926656900 /nfs/dbraw/zinc/65/69/00/926656900.db2.gz QVHDUCQLWGQXKM-ZDUSSCGKSA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421223285 926656910 /nfs/dbraw/zinc/65/69/10/926656910.db2.gz QVHDUCQLWGQXKM-ZDUSSCGKSA-N 1 1 309.374 -1.117 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001421275964 926659214 /nfs/dbraw/zinc/65/92/14/926659214.db2.gz TXPKHQCBBMVWGO-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001421287980 926660150 /nfs/dbraw/zinc/66/01/50/926660150.db2.gz MLLMALASMRBMQG-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001421252067 926660697 /nfs/dbraw/zinc/66/06/97/926660697.db2.gz FJPJIRHGGWLNDV-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001421299895 926660932 /nfs/dbraw/zinc/66/09/32/926660932.db2.gz IWBQYUFZQHBWGQ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001421322900 926661940 /nfs/dbraw/zinc/66/19/40/926661940.db2.gz YZZWJBYFHDPQHE-DGCLKSJQSA-N 1 1 322.427 -1.134 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001421322900 926661950 /nfs/dbraw/zinc/66/19/50/926661950.db2.gz YZZWJBYFHDPQHE-DGCLKSJQSA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324283 926662155 /nfs/dbraw/zinc/66/21/55/926662155.db2.gz LTZFCILVNRJQHU-MADCSZMMSA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324283 926662161 /nfs/dbraw/zinc/66/21/61/926662161.db2.gz LTZFCILVNRJQHU-MADCSZMMSA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310608 926662197 /nfs/dbraw/zinc/66/21/97/926662197.db2.gz FUCOCRKJIZASJE-GHMZBOCLSA-N 1 1 324.385 -1.262 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001421310608 926662201 /nfs/dbraw/zinc/66/22/01/926662201.db2.gz FUCOCRKJIZASJE-GHMZBOCLSA-N 1 1 324.385 -1.262 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421323968 926662583 /nfs/dbraw/zinc/66/25/83/926662583.db2.gz BPXARJHUWLIMQF-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421323968 926662587 /nfs/dbraw/zinc/66/25/87/926662587.db2.gz BPXARJHUWLIMQF-SWLSCSKDSA-N 1 1 319.365 -1.160 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324265 926662994 /nfs/dbraw/zinc/66/29/94/926662994.db2.gz LTZFCILVNRJQHU-JVXZTZIISA-N 1 1 322.312 -1.222 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(F)F)C1 ZINC001421324265 926663002 /nfs/dbraw/zinc/66/30/02/926663002.db2.gz LTZFCILVNRJQHU-JVXZTZIISA-N 1 1 322.312 -1.222 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]n1 ZINC001421337888 926664846 /nfs/dbraw/zinc/66/48/46/926664846.db2.gz LEIHIDXBCDSEFZ-RISCZKNCSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]n1 ZINC001421337888 926664856 /nfs/dbraw/zinc/66/48/56/926664856.db2.gz LEIHIDXBCDSEFZ-RISCZKNCSA-N 1 1 307.354 -1.227 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001421329263 926665565 /nfs/dbraw/zinc/66/55/65/926665565.db2.gz LNTIYRCPPNGJMX-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001421329263 926665577 /nfs/dbraw/zinc/66/55/77/926665577.db2.gz LNTIYRCPPNGJMX-HNNXBMFYSA-N 1 1 321.381 -1.181 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)OC)C1 ZINC001421333971 926665673 /nfs/dbraw/zinc/66/56/73/926665673.db2.gz BGKBJLPXZIYJSL-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421331410 926666198 /nfs/dbraw/zinc/66/61/98/926666198.db2.gz OCGYCZKICJYIQU-SMDDNHRTSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421331410 926666206 /nfs/dbraw/zinc/66/62/06/926666206.db2.gz OCGYCZKICJYIQU-SMDDNHRTSA-N 1 1 307.354 -1.675 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001421336001 926666667 /nfs/dbraw/zinc/66/66/67/926666667.db2.gz XFOMQDCROLOEKM-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001421336001 926666674 /nfs/dbraw/zinc/66/66/74/926666674.db2.gz XFOMQDCROLOEKM-CYBMUJFWSA-N 1 1 320.357 -1.840 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001421342905 926668117 /nfs/dbraw/zinc/66/81/17/926668117.db2.gz VNWSOJYGKIOHRL-IUODEOHRSA-N 1 1 323.397 -1.221 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421345342 926668152 /nfs/dbraw/zinc/66/81/52/926668152.db2.gz FIDSBNLMVVXVIJ-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421345342 926668160 /nfs/dbraw/zinc/66/81/60/926668160.db2.gz FIDSBNLMVVXVIJ-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001421341795 926668353 /nfs/dbraw/zinc/66/83/53/926668353.db2.gz SDEKSIRJSFXAGH-HZMBPMFUSA-N 1 1 309.370 -1.149 20 0 DAADMO CN(C)C(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421341092 926669087 /nfs/dbraw/zinc/66/90/87/926669087.db2.gz PFGYTSMJULPUJZ-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001421346589 926669179 /nfs/dbraw/zinc/66/91/79/926669179.db2.gz HJGUTFNUSLPREG-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)ncn1 ZINC001421346589 926669190 /nfs/dbraw/zinc/66/91/90/926669190.db2.gz HJGUTFNUSLPREG-XPTSAGLGSA-N 1 1 323.353 -1.474 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001421345874 926669314 /nfs/dbraw/zinc/66/93/14/926669314.db2.gz KSBPPPLPPLEENN-AWEZNQCLSA-N 1 1 324.385 -1.695 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001421345874 926669317 /nfs/dbraw/zinc/66/93/17/926669317.db2.gz KSBPPPLPPLEENN-AWEZNQCLSA-N 1 1 324.385 -1.695 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001421348947 926669476 /nfs/dbraw/zinc/66/94/76/926669476.db2.gz NEXYUDJNPKPKNU-FZMZJTMJSA-N 1 1 317.386 -1.975 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347367 926669962 /nfs/dbraw/zinc/66/99/62/926669962.db2.gz DEBDLHTWWIOUQX-YGRLFVJLSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347367 926669968 /nfs/dbraw/zinc/66/99/68/926669968.db2.gz DEBDLHTWWIOUQX-YGRLFVJLSA-N 1 1 324.385 -1.575 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001421344834 926669994 /nfs/dbraw/zinc/66/99/94/926669994.db2.gz ICTLERKPDWDIKX-DOMZBBRYSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001421346692 926670372 /nfs/dbraw/zinc/67/03/72/926670372.db2.gz LNDRAFJATUOLME-AWEZNQCLSA-N 1 1 315.370 -1.562 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001421346692 926670380 /nfs/dbraw/zinc/67/03/80/926670380.db2.gz LNDRAFJATUOLME-AWEZNQCLSA-N 1 1 315.370 -1.562 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)n1 ZINC001421345427 926670577 /nfs/dbraw/zinc/67/05/77/926670577.db2.gz FRWHDZSEZOACRA-LBPRGKRZSA-N 1 1 314.321 -2.101 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)n1 ZINC001421345427 926670585 /nfs/dbraw/zinc/67/05/85/926670585.db2.gz FRWHDZSEZOACRA-LBPRGKRZSA-N 1 1 314.321 -2.101 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001421359528 926671495 /nfs/dbraw/zinc/67/14/95/926671495.db2.gz DNFJAIZCZNVWFN-BXUZGUMPSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421350750 926671539 /nfs/dbraw/zinc/67/15/39/926671539.db2.gz SHVKEQJDSKDXQB-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421350750 926671548 /nfs/dbraw/zinc/67/15/48/926671548.db2.gz SHVKEQJDSKDXQB-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001421356152 926671942 /nfs/dbraw/zinc/67/19/42/926671942.db2.gz YDQMNUQOLUMDDQ-NHYWBVRUSA-N 1 1 323.397 -1.350 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001421356141 926672059 /nfs/dbraw/zinc/67/20/59/926672059.db2.gz YDQMNUQOLUMDDQ-ABAIWWIYSA-N 1 1 323.397 -1.350 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001421357637 926672458 /nfs/dbraw/zinc/67/24/58/926672458.db2.gz ORISGCWMBCXAEA-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)c1 ZINC001421350312 926673295 /nfs/dbraw/zinc/67/32/95/926673295.db2.gz JEKFWIBJVAZEGM-DOMZBBRYSA-N 1 1 321.381 -1.135 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001421352929 926673331 /nfs/dbraw/zinc/67/33/31/926673331.db2.gz SMBPZQZRHFELRA-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001421352929 926673340 /nfs/dbraw/zinc/67/33/40/926673340.db2.gz SMBPZQZRHFELRA-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358895 926673411 /nfs/dbraw/zinc/67/34/11/926673411.db2.gz QWHZZVHXAWFHBS-LKFCYVNXSA-N 1 1 312.370 -1.220 20 0 DAADMO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358895 926673415 /nfs/dbraw/zinc/67/34/15/926673415.db2.gz QWHZZVHXAWFHBS-LKFCYVNXSA-N 1 1 312.370 -1.220 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001421353286 926673484 /nfs/dbraw/zinc/67/34/84/926673484.db2.gz FXDLXSPNBQGCJA-GWCFXTLKSA-N 1 1 310.358 -1.754 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001421352922 926673554 /nfs/dbraw/zinc/67/35/54/926673554.db2.gz SMBPZQZRHFELRA-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001421352922 926673563 /nfs/dbraw/zinc/67/35/63/926673563.db2.gz SMBPZQZRHFELRA-RNCFNFMXSA-N 1 1 315.374 -2.268 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC001421352996 926673862 /nfs/dbraw/zinc/67/38/62/926673862.db2.gz XXHCFIXOMCUJQP-OTYXRUKQSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001421352996 926673871 /nfs/dbraw/zinc/67/38/71/926673871.db2.gz XXHCFIXOMCUJQP-OTYXRUKQSA-N 1 1 312.370 -2.109 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001421355590 926673904 /nfs/dbraw/zinc/67/39/04/926673904.db2.gz HVCZJJRJCVXAOA-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001421355590 926673913 /nfs/dbraw/zinc/67/39/13/926673913.db2.gz HVCZJJRJCVXAOA-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001421366206 926675264 /nfs/dbraw/zinc/67/52/64/926675264.db2.gz UKHHYHYFGJVJMA-HZMBPMFUSA-N 1 1 322.369 -1.903 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001421366206 926675269 /nfs/dbraw/zinc/67/52/69/926675269.db2.gz UKHHYHYFGJVJMA-HZMBPMFUSA-N 1 1 322.369 -1.903 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)NC1=O ZINC001421366901 926676400 /nfs/dbraw/zinc/67/64/00/926676400.db2.gz FCDYALYGBIEMPM-MFKMUULPSA-N 1 1 300.359 -2.055 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC001421359536 926676842 /nfs/dbraw/zinc/67/68/42/926676842.db2.gz DNFJAIZCZNVWFN-SMDDNHRTSA-N 1 1 315.370 -2.221 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncc(OC)cn2)C1 ZINC001421362652 926677371 /nfs/dbraw/zinc/67/73/71/926677371.db2.gz MTFMWMTYFDCVGK-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncc(OC)cn2)C1 ZINC001421362652 926677382 /nfs/dbraw/zinc/67/73/82/926677382.db2.gz MTFMWMTYFDCVGK-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)NC1=O ZINC001421366731 926677451 /nfs/dbraw/zinc/67/74/51/926677451.db2.gz FCDYALYGBIEMPM-GXFFZTMASA-N 1 1 300.359 -2.055 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368471 926677636 /nfs/dbraw/zinc/67/76/36/926677636.db2.gz ZCCZLSBUAMXGNN-ZWNOBZJWSA-N 1 1 320.411 -1.645 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001421368471 926677641 /nfs/dbraw/zinc/67/76/41/926677641.db2.gz ZCCZLSBUAMXGNN-ZWNOBZJWSA-N 1 1 320.411 -1.645 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001421372433 926678276 /nfs/dbraw/zinc/67/82/76/926678276.db2.gz ISNZSTRIAADBPF-FZMZJTMJSA-N 1 1 307.354 -1.093 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001421373788 926679023 /nfs/dbraw/zinc/67/90/23/926679023.db2.gz VSDVEQFFGLDNRO-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnc2)C1 ZINC001421373788 926679033 /nfs/dbraw/zinc/67/90/33/926679033.db2.gz VSDVEQFFGLDNRO-AWEZNQCLSA-N 1 1 309.370 -1.428 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001421377165 926679449 /nfs/dbraw/zinc/67/94/49/926679449.db2.gz RZWNOBAHCFOWAH-BFVZDQMLSA-N 1 1 312.370 -2.074 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001421377165 926679460 /nfs/dbraw/zinc/67/94/60/926679460.db2.gz RZWNOBAHCFOWAH-BFVZDQMLSA-N 1 1 312.370 -2.074 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001421374004 926679895 /nfs/dbraw/zinc/67/98/95/926679895.db2.gz MPKUPFCSIYFKIZ-AWEZNQCLSA-N 1 1 307.354 -1.061 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001421374004 926679901 /nfs/dbraw/zinc/67/99/01/926679901.db2.gz MPKUPFCSIYFKIZ-AWEZNQCLSA-N 1 1 307.354 -1.061 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001421372441 926680589 /nfs/dbraw/zinc/68/05/89/926680589.db2.gz ISNZSTRIAADBPF-SMDDNHRTSA-N 1 1 307.354 -1.093 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001421372906 926680670 /nfs/dbraw/zinc/68/06/70/926680670.db2.gz CGJBKWRVFBZLAI-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421372844 926680699 /nfs/dbraw/zinc/68/06/99/926680699.db2.gz JSQZZPSLECAGAN-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001421375708 926680945 /nfs/dbraw/zinc/68/09/45/926680945.db2.gz KTKMMWVEDMEWSF-QMTHXVAHSA-N 1 1 310.354 -1.095 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001421374044 926681158 /nfs/dbraw/zinc/68/11/58/926681158.db2.gz IMIMRVIDKJVAJT-FZMZJTMJSA-N 1 1 322.369 -1.846 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421378201 926681256 /nfs/dbraw/zinc/68/12/56/926681256.db2.gz FKWOSISBILAVDR-DOMZBBRYSA-N 1 1 321.381 -1.367 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421378201 926681260 /nfs/dbraw/zinc/68/12/60/926681260.db2.gz FKWOSISBILAVDR-DOMZBBRYSA-N 1 1 321.381 -1.367 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389059 926682203 /nfs/dbraw/zinc/68/22/03/926682203.db2.gz LWRNLKKPSQNUEX-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421391014 926682663 /nfs/dbraw/zinc/68/26/63/926682663.db2.gz WKUHOMSHAMVING-RSPOJEKHSA-N 1 1 311.382 -1.434 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421391018 926682997 /nfs/dbraw/zinc/68/29/97/926682997.db2.gz WKUHOMSHAMVING-VUABOHJTSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC001421389017 926684400 /nfs/dbraw/zinc/68/44/00/926684400.db2.gz DQUJUBIXTJHHAU-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001421389370 926684618 /nfs/dbraw/zinc/68/46/18/926684618.db2.gz VJKZSIQIGYNFEL-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cn1ncc(CN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421383668 926684649 /nfs/dbraw/zinc/68/46/49/926684649.db2.gz BYZVCQSTOONBBE-DOMZBBRYSA-N 1 1 322.413 -1.180 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421388479 926684848 /nfs/dbraw/zinc/68/48/48/926684848.db2.gz IDBGSVRWNBHITI-FZMZJTMJSA-N 1 1 307.354 -1.675 20 0 DAADMO O=C(Cn1ccnc1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421388479 926684854 /nfs/dbraw/zinc/68/48/54/926684854.db2.gz IDBGSVRWNBHITI-FZMZJTMJSA-N 1 1 307.354 -1.675 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)cn1 ZINC001421387010 926685144 /nfs/dbraw/zinc/68/51/44/926685144.db2.gz CRXCXTUAQVHEEE-WFASDCNBSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1ncnc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421385049 926685301 /nfs/dbraw/zinc/68/53/01/926685301.db2.gz GMKOCSLYYABBRH-IUODEOHRSA-N 1 1 322.413 -1.180 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389872 926685526 /nfs/dbraw/zinc/68/55/26/926685526.db2.gz FXLPZEHIAZFWNB-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389872 926685539 /nfs/dbraw/zinc/68/55/39/926685539.db2.gz FXLPZEHIAZFWNB-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421393085 926685567 /nfs/dbraw/zinc/68/55/67/926685567.db2.gz MAGQCVQIEPCGFQ-AWEZNQCLSA-N 1 1 324.385 -1.469 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421393085 926685572 /nfs/dbraw/zinc/68/55/72/926685572.db2.gz MAGQCVQIEPCGFQ-AWEZNQCLSA-N 1 1 324.385 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398780 926686572 /nfs/dbraw/zinc/68/65/72/926686572.db2.gz SMXLAAFNWHZOTK-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398780 926686583 /nfs/dbraw/zinc/68/65/83/926686583.db2.gz SMXLAAFNWHZOTK-AWEZNQCLSA-N 1 1 307.354 -1.269 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)cnn1C ZINC001421400302 926687453 /nfs/dbraw/zinc/68/74/53/926687453.db2.gz SFYILJGICFDULN-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO COc1c(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)cnn1C ZINC001421400302 926687462 /nfs/dbraw/zinc/68/74/62/926687462.db2.gz SFYILJGICFDULN-CYBMUJFWSA-N 1 1 311.342 -1.919 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001421394979 926687539 /nfs/dbraw/zinc/68/75/39/926687539.db2.gz WJYXXHIWRWSSEQ-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001421394979 926687546 /nfs/dbraw/zinc/68/75/46/926687546.db2.gz WJYXXHIWRWSSEQ-AWEZNQCLSA-N 1 1 309.370 -1.609 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001421395086 926688259 /nfs/dbraw/zinc/68/82/59/926688259.db2.gz PHFOBSSNQAICCP-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001421395086 926688265 /nfs/dbraw/zinc/68/82/65/926688265.db2.gz PHFOBSSNQAICCP-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001421403092 926688530 /nfs/dbraw/zinc/68/85/30/926688530.db2.gz CVNZAUBTZJMBLS-HZMBPMFUSA-N 1 1 316.402 -1.385 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001421396327 926688968 /nfs/dbraw/zinc/68/89/68/926688968.db2.gz YZLLWCKNZPRFGU-YPMHNXCESA-N 1 1 317.411 -1.359 20 0 DAADMO CC[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001421406127 926690529 /nfs/dbraw/zinc/69/05/29/926690529.db2.gz QTEYSWAYGBTFGJ-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001421413806 926692525 /nfs/dbraw/zinc/69/25/25/926692525.db2.gz AAWOODWTFXBPKV-VXGBXAGGSA-N 1 1 300.355 -1.399 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@H]1COCCO1 ZINC001421414172 926692910 /nfs/dbraw/zinc/69/29/10/926692910.db2.gz BKGPMSLWOICUAI-QWHCGFSZSA-N 1 1 314.382 -1.009 20 0 DAADMO CC(C)NC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421416087 926693028 /nfs/dbraw/zinc/69/30/28/926693028.db2.gz FNFZQVPWTDTQEJ-LBPRGKRZSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421415115 926693256 /nfs/dbraw/zinc/69/32/56/926693256.db2.gz SOLOKALRDPEBFJ-DOMZBBRYSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421415115 926693263 /nfs/dbraw/zinc/69/32/63/926693263.db2.gz SOLOKALRDPEBFJ-DOMZBBRYSA-N 1 1 321.381 -1.596 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001421420138 926695151 /nfs/dbraw/zinc/69/51/51/926695151.db2.gz UEBIZPAGOKJFDB-GFCCVEGCSA-N 1 1 308.386 -1.428 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)N2CCCC2)C1 ZINC001421416939 926696195 /nfs/dbraw/zinc/69/61/95/926696195.db2.gz IFZXUTKANHZEJU-CYBMUJFWSA-N 1 1 324.425 -1.134 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nnc(C)[nH]1 ZINC001421432265 926699812 /nfs/dbraw/zinc/69/98/12/926699812.db2.gz YZJNRFPQQDWLBP-NSHDSACASA-N 1 1 324.385 -1.044 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001421441807 926701801 /nfs/dbraw/zinc/70/18/01/926701801.db2.gz JLVAPCVJCKTVEC-GHMZBOCLSA-N 1 1 321.381 -1.188 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001421443417 926705154 /nfs/dbraw/zinc/70/51/54/926705154.db2.gz VFQVFJRJTKHCHS-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421459976 926707122 /nfs/dbraw/zinc/70/71/22/926707122.db2.gz UYZYPHLQWQTXSY-GFCCVEGCSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001421458589 926707627 /nfs/dbraw/zinc/70/76/27/926707627.db2.gz NZGWDERKUUDXFQ-UHFFFAOYSA-N 1 1 321.381 -1.367 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001421464752 926709343 /nfs/dbraw/zinc/70/93/43/926709343.db2.gz FDUNBSPQMYAMST-ZDUSSCGKSA-N 1 1 322.413 -1.038 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NC2CC2)C1 ZINC001421461444 926710649 /nfs/dbraw/zinc/71/06/49/926710649.db2.gz XBPXBDYHNCVORW-CYBMUJFWSA-N 1 1 324.425 -1.088 20 0 DAADMO Cn1cnn(CCC(=O)NCC2(O)C[NH+](CC3CC3)C2)c1=O ZINC001421477272 926712689 /nfs/dbraw/zinc/71/26/89/926712689.db2.gz YEZSVFVRYFPVPM-UHFFFAOYSA-N 1 1 309.370 -1.455 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001421491035 926716815 /nfs/dbraw/zinc/71/68/15/926716815.db2.gz DFDGAJLHWNFPOE-UHFFFAOYSA-N 1 1 324.381 -1.109 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001421489855 926717758 /nfs/dbraw/zinc/71/77/58/926717758.db2.gz CYMBSPAYQHAOCL-UHFFFAOYSA-N 1 1 300.403 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN([C@@H]3CCNC3=O)C2)C1 ZINC001421492576 926718190 /nfs/dbraw/zinc/71/81/90/926718190.db2.gz ROCPULMQVCBMNH-VXGBXAGGSA-N 1 1 310.398 -1.620 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001421491296 926718221 /nfs/dbraw/zinc/71/82/21/926718221.db2.gz MZZZWTMOAUZPTB-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO CN(C(=O)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001421500400 926719122 /nfs/dbraw/zinc/71/91/22/926719122.db2.gz QRIWCYJWSGSVLZ-LBPRGKRZSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001421502378 926722003 /nfs/dbraw/zinc/72/20/03/926722003.db2.gz JWPDGAFPYRFEJT-RYUDHWBXSA-N 1 1 312.414 -1.103 20 0 DAADMO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)S(C)(=O)=O ZINC001421513226 926722514 /nfs/dbraw/zinc/72/25/14/926722514.db2.gz LURXBVOXUUJYOT-SRVKXCTJSA-N 1 1 319.427 -1.161 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(Cc2nncn2C)C1 ZINC001421503685 926723343 /nfs/dbraw/zinc/72/33/43/926723343.db2.gz NGVJKPKTUJJBFX-UHFFFAOYSA-N 1 1 310.402 -1.182 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(N)=O)C[C@H]2C1 ZINC001421559081 926724663 /nfs/dbraw/zinc/72/46/63/926724663.db2.gz CPPVTGMYPWSTKM-YFKTTZPYSA-N 1 1 314.386 -1.559 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001421564113 926726944 /nfs/dbraw/zinc/72/69/44/926726944.db2.gz SQVLGUCEZQMXIQ-KXNHARMFSA-N 1 1 313.354 -1.508 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)C1 ZINC001421570639 926727275 /nfs/dbraw/zinc/72/72/75/926727275.db2.gz WLJOYXIJRCKWIG-NNYUYHANSA-N 1 1 324.381 -1.004 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001421569227 926727883 /nfs/dbraw/zinc/72/78/83/926727883.db2.gz NWFBQRVWSCKMLV-PHIMTYICSA-N 1 1 320.415 -2.187 20 0 DAADMO COCC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001421576867 926727889 /nfs/dbraw/zinc/72/78/89/926727889.db2.gz WSVCPAMZRFHFEY-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001421567563 926728259 /nfs/dbraw/zinc/72/82/59/926728259.db2.gz CZMCQXACMZFTQC-TUAOUCFPSA-N 1 1 323.397 -1.464 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]2C1 ZINC001421571746 926728418 /nfs/dbraw/zinc/72/84/18/926728418.db2.gz MLUZCBBABANZHO-TXEJJXNPSA-N 1 1 319.427 -1.086 20 0 DAADMO COCCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001421589990 926729224 /nfs/dbraw/zinc/72/92/24/926729224.db2.gz HPVPXDKFZCZLIQ-OCCSQVGLSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](O)COC)C1 ZINC001421589989 926730523 /nfs/dbraw/zinc/73/05/23/926730523.db2.gz HPVPXDKFZCZLIQ-JSGCOSHPSA-N 1 1 304.387 -1.027 20 0 DAADMO O=C(CCn1ccnn1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001421597164 926730636 /nfs/dbraw/zinc/73/06/36/926730636.db2.gz XDAZMPMBMDVYKG-CQSZACIVSA-N 1 1 311.386 -1.006 20 0 DAADMO O=C(CN1CCOCC1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001421595642 926730705 /nfs/dbraw/zinc/73/07/05/926730705.db2.gz QXXDDYWLJNPWHM-CQSZACIVSA-N 1 1 301.387 -1.746 20 0 DAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)CN2CCCC2)CC1 ZINC001421591639 926730889 /nfs/dbraw/zinc/73/08/89/926730889.db2.gz KPSBWYKFICFTGV-UHFFFAOYSA-N 1 1 311.430 -1.262 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001421604979 926731265 /nfs/dbraw/zinc/73/12/65/926731265.db2.gz APQCENIVLPAAKH-GFCCVEGCSA-N 1 1 322.431 -1.607 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421603063 926731273 /nfs/dbraw/zinc/73/12/73/926731273.db2.gz URNRXSNADXGITN-CQSZACIVSA-N 1 1 316.402 -1.369 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421620106 926732991 /nfs/dbraw/zinc/73/29/91/926732991.db2.gz OQCWDBIMTGEOHB-IINYFYTJSA-N 1 1 310.354 -1.293 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001421624660 926733419 /nfs/dbraw/zinc/73/34/19/926733419.db2.gz UZCIEJWVYNNQDE-CQSZACIVSA-N 1 1 314.386 -2.646 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@@H+](CCCF)C1)[C@H]1CNC(=O)N1 ZINC001421620048 926733538 /nfs/dbraw/zinc/73/35/38/926733538.db2.gz OKGMOCAFBFTLTN-MFKMUULPSA-N 1 1 302.350 -1.030 20 0 DAADMO Nc1nccnc1C(=O)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001421610869 926734707 /nfs/dbraw/zinc/73/47/07/926734707.db2.gz TYDGKKDSNDGGMF-CQSZACIVSA-N 1 1 309.370 -1.002 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001421618237 926734883 /nfs/dbraw/zinc/73/48/83/926734883.db2.gz NWSVDPKMWGRNJS-UPJWGTAASA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421620114 926735001 /nfs/dbraw/zinc/73/50/01/926735001.db2.gz OQCWDBIMTGEOHB-YGRLFVJLSA-N 1 1 310.354 -1.293 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001421629371 926735804 /nfs/dbraw/zinc/73/58/04/926735804.db2.gz OUEDZTNXBFWGEB-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001421629371 926735813 /nfs/dbraw/zinc/73/58/13/926735813.db2.gz OUEDZTNXBFWGEB-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627597 926736558 /nfs/dbraw/zinc/73/65/58/926736558.db2.gz WUKVORFOUTXOTO-RISCZKNCSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627597 926736565 /nfs/dbraw/zinc/73/65/65/926736565.db2.gz WUKVORFOUTXOTO-RISCZKNCSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627601 926736729 /nfs/dbraw/zinc/73/67/29/926736729.db2.gz WUKVORFOUTXOTO-SMDDNHRTSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001421627601 926736731 /nfs/dbraw/zinc/73/67/31/926736731.db2.gz WUKVORFOUTXOTO-SMDDNHRTSA-N 1 1 324.385 -1.644 20 0 DAADMO CO[C@@H](C)C(=O)N(CCO)CC[NH2+][C@@H](C)c1nnnn1C ZINC001421640575 926740440 /nfs/dbraw/zinc/74/04/40/926740440.db2.gz KKFSMPBRQZZOCY-UWVGGRQHSA-N 1 1 300.363 -1.284 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CN2CCCC2)C1=O ZINC001421640525 926740598 /nfs/dbraw/zinc/74/05/98/926740598.db2.gz CDSQXFVASVJTKH-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2nnn(C)n2)C1 ZINC001421677047 926741960 /nfs/dbraw/zinc/74/19/60/926741960.db2.gz JUHGJKJZRYMHRH-VIFPVBQESA-N 1 1 309.374 -1.470 20 0 DAADMO CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001421706465 926746898 /nfs/dbraw/zinc/74/68/98/926746898.db2.gz KMJLPNBPHWVTQV-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001421706465 926746903 /nfs/dbraw/zinc/74/69/03/926746903.db2.gz KMJLPNBPHWVTQV-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001421706476 926747640 /nfs/dbraw/zinc/74/76/40/926747640.db2.gz KMJLPNBPHWVTQV-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001421706476 926747648 /nfs/dbraw/zinc/74/76/48/926747648.db2.gz KMJLPNBPHWVTQV-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001421702351 926748251 /nfs/dbraw/zinc/74/82/51/926748251.db2.gz AJDGEZJISCSTSP-QWRGUYRKSA-N 1 1 324.385 -1.087 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1nnn(C)n1 ZINC001421738238 926749068 /nfs/dbraw/zinc/74/90/68/926749068.db2.gz XJINKTMOCVXDFV-QWRGUYRKSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1nnn(C)n1 ZINC001421738243 926749673 /nfs/dbraw/zinc/74/96/73/926749673.db2.gz XJINKTMOCVXDFV-WDEREUQCSA-N 1 1 323.401 -1.080 20 0 DAADMO Cc1noc(C[NH2+]C[C@@H](C)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001421725734 926749783 /nfs/dbraw/zinc/74/97/83/926749783.db2.gz ZJEZYHQFVUKQSH-SNVBAGLBSA-N 1 1 324.385 -1.348 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001421778762 926751850 /nfs/dbraw/zinc/75/18/50/926751850.db2.gz QNODNBGIUIAQJI-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001421778762 926751857 /nfs/dbraw/zinc/75/18/57/926751857.db2.gz QNODNBGIUIAQJI-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@H](O)CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807046 926760816 /nfs/dbraw/zinc/76/08/16/926760816.db2.gz MVULGTGNOKTKCH-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807046 926760826 /nfs/dbraw/zinc/76/08/26/926760826.db2.gz MVULGTGNOKTKCH-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807044 926761975 /nfs/dbraw/zinc/76/19/75/926761975.db2.gz MVULGTGNOKTKCH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807044 926761986 /nfs/dbraw/zinc/76/19/86/926761986.db2.gz MVULGTGNOKTKCH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001421891285 926769324 /nfs/dbraw/zinc/76/93/24/926769324.db2.gz RFCQNGBNVQILKB-QMMMGPOBSA-N 1 1 304.376 -1.809 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001421903343 926769491 /nfs/dbraw/zinc/76/94/91/926769491.db2.gz UEQHZORYSFABQY-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)c1nccnc1C(N)=O ZINC001421901170 926769667 /nfs/dbraw/zinc/76/96/67/926769667.db2.gz OPBQDMRVAUKIFM-SECBINFHSA-N 1 1 322.369 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)c1nccnc1C(N)=O ZINC001421901172 926770859 /nfs/dbraw/zinc/77/08/59/926770859.db2.gz OPBQDMRVAUKIFM-VIFPVBQESA-N 1 1 322.369 -1.157 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001422012987 926781108 /nfs/dbraw/zinc/78/11/08/926781108.db2.gz QEJXMIHHKIJPRF-ATZCPNFKSA-N 1 1 301.343 -1.501 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001422013023 926781726 /nfs/dbraw/zinc/78/17/26/926781726.db2.gz QEJXMIHHKIJPRF-WCABBAIRSA-N 1 1 301.343 -1.501 20 0 DAADMO COC(=O)c1cccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1 ZINC001422055960 926783125 /nfs/dbraw/zinc/78/31/25/926783125.db2.gz WSZJIWYQCJSJNI-AOOOYVTPSA-N 1 1 306.322 -1.113 20 0 DAADMO C[NH+]1CCC(NC(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001422048482 926783231 /nfs/dbraw/zinc/78/32/31/926783231.db2.gz LOHIIMGBYCCLNC-PHIMTYICSA-N 1 1 311.386 -2.285 20 0 DAADMO C[NH+]1CCC(NC(=O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001422048481 926784071 /nfs/dbraw/zinc/78/40/71/926784071.db2.gz LOHIIMGBYCCLNC-GHMZBOCLSA-N 1 1 311.386 -2.285 20 0 DAADMO O=C(CCCn1cncn1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001422080163 926786846 /nfs/dbraw/zinc/78/68/46/926786846.db2.gz BIAOLKPRTRWQPJ-UHFFFAOYSA-N 1 1 322.413 -1.121 20 0 DAADMO CC(C)[C@@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001422091917 926788248 /nfs/dbraw/zinc/78/82/48/926788248.db2.gz FNDMRXMIVZQSSS-WDEREUQCSA-N 1 1 323.401 -1.033 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cnn(C)n1)C(C)C ZINC001422107617 926789389 /nfs/dbraw/zinc/78/93/89/926789389.db2.gz KLUJXYKSHSCXSK-LLVKDONJSA-N 1 1 311.390 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001422123904 926790013 /nfs/dbraw/zinc/79/00/13/926790013.db2.gz FCQALOHVPRTDKV-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCCC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001422136977 926790326 /nfs/dbraw/zinc/79/03/26/926790326.db2.gz JHIGGGBOFIYMSQ-VIFPVBQESA-N 1 1 312.378 -1.486 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cnn(C)n1)C(C)C ZINC001422107621 926791435 /nfs/dbraw/zinc/79/14/35/926791435.db2.gz KLUJXYKSHSCXSK-NSHDSACASA-N 1 1 311.390 -1.026 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC001422144576 926792805 /nfs/dbraw/zinc/79/28/05/926792805.db2.gz TVLKJLWXHVHAJV-CQSZACIVSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC001422144576 926792815 /nfs/dbraw/zinc/79/28/15/926792815.db2.gz TVLKJLWXHVHAJV-CQSZACIVSA-N 1 1 312.414 -1.278 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422146863 926793661 /nfs/dbraw/zinc/79/36/61/926793661.db2.gz CEPSJGOGJDIZKJ-MRVPVSSYSA-N 1 1 317.346 -1.684 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001422146863 926793673 /nfs/dbraw/zinc/79/36/73/926793673.db2.gz CEPSJGOGJDIZKJ-MRVPVSSYSA-N 1 1 317.346 -1.684 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001422147707 926794048 /nfs/dbraw/zinc/79/40/48/926794048.db2.gz NKBULDHJRZDDHF-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001422147707 926794057 /nfs/dbraw/zinc/79/40/57/926794057.db2.gz NKBULDHJRZDDHF-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC[N@@H+](C)CCCO)C(=O)CN1CCCS1(=O)=O ZINC001422160887 926794483 /nfs/dbraw/zinc/79/44/83/926794483.db2.gz SGYPEYVCXCIOCQ-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001422183555 926796865 /nfs/dbraw/zinc/79/68/65/926796865.db2.gz RDVJBARCMUIEOX-VIFPVBQESA-N 1 1 315.374 -1.656 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001422183555 926796868 /nfs/dbraw/zinc/79/68/68/926796868.db2.gz RDVJBARCMUIEOX-VIFPVBQESA-N 1 1 315.374 -1.656 20 0 DAADMO CS(=O)(=O)CCC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001422185460 926797738 /nfs/dbraw/zinc/79/77/38/926797738.db2.gz NPBYFMFFYUXIBY-UHFFFAOYSA-N 1 1 322.427 -1.253 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ncn(C)c1=O ZINC001422181447 926798063 /nfs/dbraw/zinc/79/80/63/926798063.db2.gz FPJIZZQXMNOWSW-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCn1ncn(C)c1=O ZINC001422181447 926798072 /nfs/dbraw/zinc/79/80/72/926798072.db2.gz FPJIZZQXMNOWSW-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001422182825 926798142 /nfs/dbraw/zinc/79/81/42/926798142.db2.gz HKBHICOQMGZDHW-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001422182825 926798150 /nfs/dbraw/zinc/79/81/50/926798150.db2.gz HKBHICOQMGZDHW-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001422193066 926798229 /nfs/dbraw/zinc/79/82/29/926798229.db2.gz HXTPRHFPYWXRSQ-WDEREUQCSA-N 1 1 324.381 -1.903 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(=O)n(C)c1=O ZINC001422212987 926798952 /nfs/dbraw/zinc/79/89/52/926798952.db2.gz HRMAJEDOWHEHGZ-SECBINFHSA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(=O)n(C)c1=O ZINC001422212987 926798961 /nfs/dbraw/zinc/79/89/61/926798961.db2.gz HRMAJEDOWHEHGZ-SECBINFHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422202282 926798978 /nfs/dbraw/zinc/79/89/78/926798978.db2.gz VFOHWKUJJVGXON-HLTSFMKQSA-N 1 1 313.358 -1.919 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422202282 926798986 /nfs/dbraw/zinc/79/89/86/926798986.db2.gz VFOHWKUJJVGXON-HLTSFMKQSA-N 1 1 313.358 -1.919 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001422202292 926799306 /nfs/dbraw/zinc/79/93/06/926799306.db2.gz YKENOBHENZPSBU-VXGBXAGGSA-N 1 1 313.398 -1.165 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 ZINC001422195456 926799325 /nfs/dbraw/zinc/79/93/25/926799325.db2.gz OGIIFJVBDZQQBN-UHFFFAOYSA-N 1 1 309.370 -1.359 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422198042 926799449 /nfs/dbraw/zinc/79/94/49/926799449.db2.gz RQVLAEUQQJHHMH-NSHDSACASA-N 1 1 312.370 -2.046 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001422207006 926800886 /nfs/dbraw/zinc/80/08/86/926800886.db2.gz RQDCLGGEDUVVKE-ZJUUUORDSA-N 1 1 314.386 -1.685 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2nccnc2N)CC1 ZINC001422198844 926801031 /nfs/dbraw/zinc/80/10/31/926801031.db2.gz UMUYEEIFPGXXKS-UHFFFAOYSA-N 1 1 322.369 -1.639 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001422200091 926801094 /nfs/dbraw/zinc/80/10/94/926801094.db2.gz RJMACWQCAZNVJS-UHFFFAOYSA-N 1 1 312.334 -2.331 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001422200091 926801100 /nfs/dbraw/zinc/80/11/00/926801100.db2.gz RJMACWQCAZNVJS-UHFFFAOYSA-N 1 1 312.334 -2.331 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001422252977 926804578 /nfs/dbraw/zinc/80/45/78/926804578.db2.gz FVOLROSTWSCAEO-WDEREUQCSA-N 1 1 322.406 -1.068 20 0 DAADMO CNC(=O)C1([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CCOCC1 ZINC001422264629 926805330 /nfs/dbraw/zinc/80/53/30/926805330.db2.gz DSDOKHHVCIDXFH-JTQLQIEISA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001422271337 926805741 /nfs/dbraw/zinc/80/57/41/926805741.db2.gz BLBAGFVOIDKVOM-LBPRGKRZSA-N 1 1 309.370 -1.170 20 0 DAADMO Cc1ccncc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001422271006 926806351 /nfs/dbraw/zinc/80/63/51/926806351.db2.gz GIYSPTGBEJYVNK-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001422271334 926806831 /nfs/dbraw/zinc/80/68/31/926806831.db2.gz BLBAGFVOIDKVOM-GFCCVEGCSA-N 1 1 309.370 -1.170 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nnn1C ZINC001422272074 926807728 /nfs/dbraw/zinc/80/77/28/926807728.db2.gz JNLGJJAGBJXLRE-JTQLQIEISA-N 1 1 308.346 -1.867 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)nn1 ZINC001422277131 926810374 /nfs/dbraw/zinc/81/03/74/926810374.db2.gz SIVBTLKBPQQFJP-NWDGAFQWSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001422275343 926810645 /nfs/dbraw/zinc/81/06/45/926810645.db2.gz CTGWBUPBLCRESW-ZDUSSCGKSA-N 1 1 323.397 -1.316 20 0 DAADMO Cc1cccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001422273519 926810953 /nfs/dbraw/zinc/81/09/53/926810953.db2.gz GHSXLGAQOGYOHC-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001422284214 926812284 /nfs/dbraw/zinc/81/22/84/926812284.db2.gz FKTUOXLAMGZJKL-QMMMGPOBSA-N 1 1 300.319 -2.262 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001422290838 926814803 /nfs/dbraw/zinc/81/48/03/926814803.db2.gz BAPRINFIIOBPDJ-VIFPVBQESA-N 1 1 320.371 -2.500 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001422287309 926814909 /nfs/dbraw/zinc/81/49/09/926814909.db2.gz MKCQFVNIAXQAHA-BDAKNGLRSA-N 1 1 311.346 -2.697 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001422290836 926816372 /nfs/dbraw/zinc/81/63/72/926816372.db2.gz BAPRINFIIOBPDJ-SECBINFHSA-N 1 1 320.371 -2.500 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001422291634 926816649 /nfs/dbraw/zinc/81/66/49/926816649.db2.gz BEEYMYOEDSWIAD-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)c1nncn1C ZINC001422292182 926816666 /nfs/dbraw/zinc/81/66/66/926816666.db2.gz QXJRDWMPPBWZFC-BDAKNGLRSA-N 1 1 319.387 -2.013 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001422287312 926816838 /nfs/dbraw/zinc/81/68/38/926816838.db2.gz MKCQFVNIAXQAHA-RKDXNWHRSA-N 1 1 311.346 -2.697 20 0 DAADMO Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001422289779 926816940 /nfs/dbraw/zinc/81/69/40/926816940.db2.gz SMSHYOMIEWSKAS-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)C2CN(C(C)=O)C2)nn1 ZINC001422300314 926818780 /nfs/dbraw/zinc/81/87/80/926818780.db2.gz RMGGXOMHHIJGSB-ZDUSSCGKSA-N 1 1 324.385 -1.657 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncccc1O)NC1CC1 ZINC001422299687 926820264 /nfs/dbraw/zinc/82/02/64/926820264.db2.gz POFABPJJOBBAMB-SNVBAGLBSA-N 1 1 308.338 -1.254 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2nnnn2C)C1 ZINC001422308495 926821283 /nfs/dbraw/zinc/82/12/83/926821283.db2.gz UEIMLTHNPOJLEQ-RKDXNWHRSA-N 1 1 309.374 -1.329 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001422313669 926823957 /nfs/dbraw/zinc/82/39/57/926823957.db2.gz MUKYUCOREQPDDQ-VHSXEESVSA-N 1 1 323.397 -1.229 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001422313654 926824659 /nfs/dbraw/zinc/82/46/59/926824659.db2.gz MUKYUCOREQPDDQ-UWVGGRQHSA-N 1 1 323.397 -1.229 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncnn2)nc1 ZINC001422314891 926826043 /nfs/dbraw/zinc/82/60/43/926826043.db2.gz OSDSRZPPOCWOBQ-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C2CS(=O)(=O)C2)on1 ZINC001422316226 926826269 /nfs/dbraw/zinc/82/62/69/926826269.db2.gz LRBYBYQYLPUCKS-JTQLQIEISA-N 1 1 317.367 -1.406 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001422322313 926828004 /nfs/dbraw/zinc/82/80/04/926828004.db2.gz AUYJHEFUYPRLHO-LLVKDONJSA-N 1 1 311.342 -1.343 20 0 DAADMO Cc1cc(OCC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)no1 ZINC001422321106 926828352 /nfs/dbraw/zinc/82/83/52/926828352.db2.gz WLHIQKHDWMPJKK-JTQLQIEISA-N 1 1 324.341 -1.243 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001422318583 926828425 /nfs/dbraw/zinc/82/84/25/926828425.db2.gz UYUXQOOKVYBJEG-MNOVXSKESA-N 1 1 313.358 -1.813 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nncs1)c1cn[nH]c(=O)c1 ZINC001422323050 926828472 /nfs/dbraw/zinc/82/84/72/926828472.db2.gz HQPAFOGQFWHOLS-QMMMGPOBSA-N 1 1 310.339 -1.086 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)CC[N@H+]1C ZINC001422322507 926828738 /nfs/dbraw/zinc/82/87/38/926828738.db2.gz QZAUWKIIMLTSMA-OPRDCNLKSA-N 1 1 312.374 -1.583 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCc1ccon1 ZINC001422324304 926829617 /nfs/dbraw/zinc/82/96/17/926829617.db2.gz BWOODQCAJYBPJS-JTQLQIEISA-N 1 1 309.330 -1.602 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nn1 ZINC001422325864 926831495 /nfs/dbraw/zinc/83/14/95/926831495.db2.gz GJTHYQSPOAYBEV-PRFQISJJSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nn1 ZINC001422325810 926832074 /nfs/dbraw/zinc/83/20/74/926832074.db2.gz GJTHYQSPOAYBEV-IIEFLBBWSA-N 1 1 321.381 -1.195 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422327713 926832514 /nfs/dbraw/zinc/83/25/14/926832514.db2.gz BXRXULGDFPIEGT-SECBINFHSA-N 1 1 307.372 -1.724 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncccn1)c1cnc[nH]c1=O ZINC001422328891 926832816 /nfs/dbraw/zinc/83/28/16/926832816.db2.gz MXINMVNUJCYYMP-VIFPVBQESA-N 1 1 304.310 -1.147 20 0 DAADMO O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)c1[nH]nc2c1CCC2 ZINC001422324905 926832897 /nfs/dbraw/zinc/83/28/97/926832897.db2.gz FIGCQUYSIXJPGK-KCJUWKMLSA-N 1 1 307.354 -1.533 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001422333757 926834246 /nfs/dbraw/zinc/83/42/46/926834246.db2.gz VSTYFVUWAXXSDF-RKDXNWHRSA-N 1 1 309.370 -1.287 20 0 DAADMO C[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1CS(N)(=O)=O ZINC001422332296 926834321 /nfs/dbraw/zinc/83/43/21/926834321.db2.gz SEVJNWQPSMKMPX-ZJUUUORDSA-N 1 1 313.445 -1.266 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C2(F)CCOCC2)n1 ZINC001422334503 926835538 /nfs/dbraw/zinc/83/55/38/926835538.db2.gz XWUOELOXQYEPQK-NSHDSACASA-N 1 1 315.349 -1.100 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422331425 926835768 /nfs/dbraw/zinc/83/57/68/926835768.db2.gz MRMANJYFWIJVPG-RKDXNWHRSA-N 1 1 307.372 -1.726 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422331425 926835783 /nfs/dbraw/zinc/83/57/83/926835783.db2.gz MRMANJYFWIJVPG-RKDXNWHRSA-N 1 1 307.372 -1.726 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001422339340 926837378 /nfs/dbraw/zinc/83/73/78/926837378.db2.gz BBACTQVMXZQQQO-VIFPVBQESA-N 1 1 323.357 -1.264 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)ccc2cncn21 ZINC001422347028 926840056 /nfs/dbraw/zinc/84/00/56/926840056.db2.gz KOLPJIDGQCLZGO-NSHDSACASA-N 1 1 305.338 -1.192 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)ccc2cncn21 ZINC001422347024 926840377 /nfs/dbraw/zinc/84/03/77/926840377.db2.gz KOLPJIDGQCLZGO-LLVKDONJSA-N 1 1 305.338 -1.192 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cc2n(n1)CCCO2 ZINC001422345859 926842276 /nfs/dbraw/zinc/84/22/76/926842276.db2.gz LMFZIJHWQKWLSF-SNVBAGLBSA-N 1 1 322.325 -1.071 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001422359822 926847815 /nfs/dbraw/zinc/84/78/15/926847815.db2.gz XXKFSLMSMWHVGV-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)nc1 ZINC001422379887 926854272 /nfs/dbraw/zinc/85/42/72/926854272.db2.gz YILXIZZGXAXYFU-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001422379085 926855854 /nfs/dbraw/zinc/85/58/54/926855854.db2.gz XSMJGFORXYMUNL-CMPLNLGQSA-N 1 1 324.385 -1.467 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001422377663 926856509 /nfs/dbraw/zinc/85/65/09/926856509.db2.gz GOMSVKODUWBGIK-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001422377667 926856870 /nfs/dbraw/zinc/85/68/70/926856870.db2.gz GOMSVKODUWBGIK-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cccnn1 ZINC001422376496 926857003 /nfs/dbraw/zinc/85/70/03/926857003.db2.gz FJLWHMNTRZIZGD-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422384804 926858790 /nfs/dbraw/zinc/85/87/90/926858790.db2.gz WBNOZKBCNOGTOB-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001422381014 926859140 /nfs/dbraw/zinc/85/91/40/926859140.db2.gz LXMCIDJHFIBBNF-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001422382469 926859379 /nfs/dbraw/zinc/85/93/79/926859379.db2.gz LLDQFYHZIUQDTL-ZJUUUORDSA-N 1 1 321.389 -1.046 20 0 DAADMO CCn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001422394021 926863716 /nfs/dbraw/zinc/86/37/16/926863716.db2.gz FZKBCNCDUNVVGO-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001422403322 926866131 /nfs/dbraw/zinc/86/61/31/926866131.db2.gz LOEPUKKTPJBHGM-OLZOCXBDSA-N 1 1 322.413 -1.072 20 0 DAADMO Cn1cnnc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422406137 926866527 /nfs/dbraw/zinc/86/65/27/926866527.db2.gz XECVDLYDJJZTIN-NEPJUHHUSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001422410087 926866652 /nfs/dbraw/zinc/86/66/52/926866652.db2.gz YDUCOTUZMRNGPM-LBPRGKRZSA-N 1 1 322.373 -1.857 20 0 DAADMO O=C(CN1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001422403329 926866709 /nfs/dbraw/zinc/86/67/09/926866709.db2.gz LOEPUKKTPJBHGM-STQMWFEESA-N 1 1 322.413 -1.072 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001422403381 926867392 /nfs/dbraw/zinc/86/73/92/926867392.db2.gz TWMCWCNXONHXQG-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1ccnc1)c1nncn1C ZINC001422403440 926868279 /nfs/dbraw/zinc/86/82/79/926868279.db2.gz KJBXWZYGFASBQL-MNOVXSKESA-N 1 1 307.358 -1.161 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nnnn1C)C(=O)[C@H](C)NC(N)=O ZINC001422448876 926872144 /nfs/dbraw/zinc/87/21/44/926872144.db2.gz QQBXPUOBNICPRX-BDAKNGLRSA-N 1 1 312.378 -1.234 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001422427729 926872208 /nfs/dbraw/zinc/87/22/08/926872208.db2.gz ICPNSZHKMRBIPF-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001422427725 926872965 /nfs/dbraw/zinc/87/29/65/926872965.db2.gz ICPNSZHKMRBIPF-IUCAKERBSA-N 1 1 318.403 -1.653 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001422484342 926876033 /nfs/dbraw/zinc/87/60/33/926876033.db2.gz WRPAMCGTPOUXQM-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001422484342 926876050 /nfs/dbraw/zinc/87/60/50/926876050.db2.gz WRPAMCGTPOUXQM-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487002 926876085 /nfs/dbraw/zinc/87/60/85/926876085.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487002 926876099 /nfs/dbraw/zinc/87/60/99/926876099.db2.gz MCYZQIXTJMEMJV-VXGBXAGGSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)CCCS(C)(=O)=O ZINC001422490348 926876583 /nfs/dbraw/zinc/87/65/83/926876583.db2.gz GITOVCCOUVQIFB-UWVGGRQHSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)CCCS(C)(=O)=O ZINC001422490348 926876599 /nfs/dbraw/zinc/87/65/99/926876599.db2.gz GITOVCCOUVQIFB-UWVGGRQHSA-N 1 1 322.431 -1.086 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCCNC1=O ZINC001422513533 926879354 /nfs/dbraw/zinc/87/93/54/926879354.db2.gz SQVXJWGBGRPXAW-SECBINFHSA-N 1 1 310.362 -1.780 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC001422519902 926879618 /nfs/dbraw/zinc/87/96/18/926879618.db2.gz ZRJUOCULIUKWKL-MRVPVSSYSA-N 1 1 321.341 -1.330 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520590 926881209 /nfs/dbraw/zinc/88/12/09/926881209.db2.gz OEDSDGANTAHSBL-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520590 926881220 /nfs/dbraw/zinc/88/12/20/926881220.db2.gz OEDSDGANTAHSBL-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)Cn1ncn(C)c1=O ZINC001422522607 926881273 /nfs/dbraw/zinc/88/12/73/926881273.db2.gz OQUPMZIDLWEFMG-MRVPVSSYSA-N 1 1 311.371 -1.272 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520581 926881636 /nfs/dbraw/zinc/88/16/36/926881636.db2.gz OEDSDGANTAHSBL-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001422520581 926881653 /nfs/dbraw/zinc/88/16/53/926881653.db2.gz OEDSDGANTAHSBL-UWVGGRQHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)Cn1ncn(C)c1=O ZINC001422516941 926881673 /nfs/dbraw/zinc/88/16/73/926881673.db2.gz BJWQANWELHEXMT-SECBINFHSA-N 1 1 308.346 -1.995 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001422541707 926882692 /nfs/dbraw/zinc/88/26/92/926882692.db2.gz VWCLBUCOIQSIFZ-DTWKUNHWSA-N 1 1 315.374 -2.451 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001422541707 926882709 /nfs/dbraw/zinc/88/27/09/926882709.db2.gz VWCLBUCOIQSIFZ-DTWKUNHWSA-N 1 1 315.374 -2.451 20 0 DAADMO CCCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001422547025 926883056 /nfs/dbraw/zinc/88/30/56/926883056.db2.gz CYJHZELHEDZGSQ-NXEZZACHSA-N 1 1 324.389 -1.251 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001422549360 926884358 /nfs/dbraw/zinc/88/43/58/926884358.db2.gz VKCYNGLPYLIRLD-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001422549360 926884379 /nfs/dbraw/zinc/88/43/79/926884379.db2.gz VKCYNGLPYLIRLD-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422561611 926886802 /nfs/dbraw/zinc/88/68/02/926886802.db2.gz SJODNPMXVBCBJB-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422561611 926886808 /nfs/dbraw/zinc/88/68/08/926886808.db2.gz SJODNPMXVBCBJB-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)Cc1nnc[nH]1 ZINC001422581110 926889247 /nfs/dbraw/zinc/88/92/47/926889247.db2.gz GVOWFYNCVMZENC-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001422604602 926890422 /nfs/dbraw/zinc/89/04/22/926890422.db2.gz XNELDYUXTFCEDY-MWLCHTKSSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001422600936 926890677 /nfs/dbraw/zinc/89/06/77/926890677.db2.gz NMPSJLZBEWHWNH-MNOVXSKESA-N 1 1 310.402 -1.003 20 0 DAADMO C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@H+](C)CCO ZINC001422605121 926890968 /nfs/dbraw/zinc/89/09/68/926890968.db2.gz RTHOSWLHVIHVNX-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@@H+](C)CCO ZINC001422605121 926890979 /nfs/dbraw/zinc/89/09/79/926890979.db2.gz RTHOSWLHVIHVNX-NSHDSACASA-N 1 1 307.416 -1.854 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)NC)n1 ZINC001422604658 926891483 /nfs/dbraw/zinc/89/14/83/926891483.db2.gz MEHMUEFJKFRHSL-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1nc(=O)n(C)[nH]1 ZINC001422600951 926891601 /nfs/dbraw/zinc/89/16/01/926891601.db2.gz NMPSJLZBEWHWNH-QWRGUYRKSA-N 1 1 310.402 -1.003 20 0 DAADMO C[C@H](F)CC[NH+]1CC(CCO)(NC(=O)Cn2ncnn2)C1 ZINC001422620960 926893939 /nfs/dbraw/zinc/89/39/39/926893939.db2.gz MICPORNUKDJDED-JTQLQIEISA-N 1 1 300.338 -1.026 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001422620560 926895354 /nfs/dbraw/zinc/89/53/54/926895354.db2.gz ICQXVLNZGMOTJM-MNOVXSKESA-N 1 1 316.402 -1.243 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001422607728 926895817 /nfs/dbraw/zinc/89/58/17/926895817.db2.gz IGEQXISQJFJVBK-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001422634785 926897337 /nfs/dbraw/zinc/89/73/37/926897337.db2.gz OKUXQOKLAQHDCT-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(CCO)CN(CCO)C1 ZINC001422645982 926899866 /nfs/dbraw/zinc/89/98/66/926899866.db2.gz HYDSWVKBDWFZES-ZDUSSCGKSA-N 1 1 315.414 -1.500 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1(CCO)CN([C@H](C)C(N)=O)C1 ZINC001422647230 926902323 /nfs/dbraw/zinc/90/23/23/926902323.db2.gz PHNKPXKYEAXAQS-SNVBAGLBSA-N 1 1 309.370 -1.382 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)C1CS(=O)(=O)C1 ZINC001422655816 926902604 /nfs/dbraw/zinc/90/26/04/926902604.db2.gz OAUYWVMNERPJPR-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001422650010 926903219 /nfs/dbraw/zinc/90/32/19/926903219.db2.gz RPLJYHCGWUCBFY-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCNS(C)(=O)=O ZINC001422651004 926904005 /nfs/dbraw/zinc/90/40/05/926904005.db2.gz GWVNDIHSXNLSLJ-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCn1ncn(C)c1=O ZINC001422684482 926905180 /nfs/dbraw/zinc/90/51/80/926905180.db2.gz ZHDSLNKMYQMAOZ-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN([C@H]3CCCNC3=O)C2)C1 ZINC001422656292 926905943 /nfs/dbraw/zinc/90/59/43/926905943.db2.gz MBUYEOFQZJDQIZ-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO CNC(=O)CN1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001422655958 926906507 /nfs/dbraw/zinc/90/65/07/926906507.db2.gz ZBDFUQKXMDJMCG-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC001422705033 926907971 /nfs/dbraw/zinc/90/79/71/926907971.db2.gz JAXLMALXQORZAU-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001422698419 926908304 /nfs/dbraw/zinc/90/83/04/926908304.db2.gz HVVIUWZLNBRTAQ-WCBMZHEXSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cnn(C)n1 ZINC001422722120 926908619 /nfs/dbraw/zinc/90/86/19/926908619.db2.gz ZQHDCQOSADWSAE-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422698427 926908708 /nfs/dbraw/zinc/90/87/08/926908708.db2.gz HVVIUWZLNBRTAQ-WPRPVWTQSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1ncn[nH]1 ZINC001422716638 926908900 /nfs/dbraw/zinc/90/89/00/926908900.db2.gz RLCYEWYGLCTOHQ-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)c1nc[nH]n1 ZINC001422716638 926908906 /nfs/dbraw/zinc/90/89/06/926908906.db2.gz RLCYEWYGLCTOHQ-QMMMGPOBSA-N 1 1 321.341 -1.890 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnc2n1CCOC2 ZINC001422702153 926909201 /nfs/dbraw/zinc/90/92/01/926909201.db2.gz OQCFWAILUBDADF-ZJUUUORDSA-N 1 1 324.385 -1.086 20 0 DAADMO C[C@@H](NC(=O)CCn1cncn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001422719831 926909247 /nfs/dbraw/zinc/90/92/47/926909247.db2.gz YBJDDHXHQHCQFL-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@@H](C)CC(N)=O ZINC001422702147 926909500 /nfs/dbraw/zinc/90/95/00/926909500.db2.gz OQCFWAILUBDADF-UWVGGRQHSA-N 1 1 324.385 -1.086 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CCCS(N)(=O)=O ZINC001422704807 926909578 /nfs/dbraw/zinc/90/95/78/926909578.db2.gz WYZKUTDSDOKDAC-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001422737156 926910660 /nfs/dbraw/zinc/91/06/60/926910660.db2.gz UOBPUXNUZQOZTA-QMMMGPOBSA-N 1 1 319.387 -1.136 20 0 DAADMO C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001422732611 926910731 /nfs/dbraw/zinc/91/07/31/926910731.db2.gz CVICUJUQZYNGLS-HINXJTCJSA-N 1 1 324.381 -1.101 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001422738050 926911154 /nfs/dbraw/zinc/91/11/54/926911154.db2.gz TXAUJXKBDJGESF-RKDXNWHRSA-N 1 1 320.415 -1.764 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001422739564 926911746 /nfs/dbraw/zinc/91/17/46/926911746.db2.gz OQVWBVOVRUVRLN-ONGXEEELSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CS(=O)(=O)N(C)C ZINC001422736985 926912841 /nfs/dbraw/zinc/91/28/41/926912841.db2.gz RMRHLZSCUIWKPB-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@@H](NC(=O)Cn1cncn1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC001422749673 926913726 /nfs/dbraw/zinc/91/37/26/926913726.db2.gz DMGYRLLYYVEQMA-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001422750891 926913991 /nfs/dbraw/zinc/91/39/91/926913991.db2.gz ZNRXPQXBOAFMHV-YUMQZZPRSA-N 1 1 319.412 -1.176 20 0 DAADMO C[C@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001422753837 926914257 /nfs/dbraw/zinc/91/42/57/926914257.db2.gz PYAZYGYBGIJEKM-ONGXEEELSA-N 1 1 311.386 -1.240 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001422761832 926915154 /nfs/dbraw/zinc/91/51/54/926915154.db2.gz OXZKVKWORDDHEB-WPRPVWTQSA-N 1 1 318.399 -2.139 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001422798901 926917658 /nfs/dbraw/zinc/91/76/58/926917658.db2.gz DKKLZVOKKLVYFW-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CCn1cnnn1 ZINC001422798901 926917676 /nfs/dbraw/zinc/91/76/76/926917676.db2.gz DKKLZVOKKLVYFW-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422811166 926920082 /nfs/dbraw/zinc/92/00/82/926920082.db2.gz PJQFDIPGWKZXDY-RTCCRHLQSA-N 1 1 305.400 -1.788 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001422824164 926920162 /nfs/dbraw/zinc/92/01/62/926920162.db2.gz WQMDGKOOMXJRQQ-FQUUOJAGSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCN1CCCC1=O ZINC001422834485 926921251 /nfs/dbraw/zinc/92/12/51/926921251.db2.gz OAJSCMVITUUKJS-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422853637 926922222 /nfs/dbraw/zinc/92/22/22/926922222.db2.gz IKHSUWNOAPEHHX-CNDDSTCGSA-N 1 1 319.427 -1.446 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)c(=O)n1C ZINC001422838783 926922322 /nfs/dbraw/zinc/92/23/22/926922322.db2.gz VUPWHPVHUDGVFF-JHEVNIALSA-N 1 1 323.397 -1.435 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001422839349 926922895 /nfs/dbraw/zinc/92/28/95/926922895.db2.gz XKQLDCQMTPONRG-MRVPVSSYSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001422839349 926922902 /nfs/dbraw/zinc/92/29/02/926922902.db2.gz XKQLDCQMTPONRG-MRVPVSSYSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001422854801 926924877 /nfs/dbraw/zinc/92/48/77/926924877.db2.gz OBKHYDFTHYWJIP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001422854801 926924885 /nfs/dbraw/zinc/92/48/85/926924885.db2.gz OBKHYDFTHYWJIP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)O ZINC001422855083 926925761 /nfs/dbraw/zinc/92/57/61/926925761.db2.gz JZQROLXXMVUXMZ-UWVGGRQHSA-N 1 1 302.375 -1.944 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914990 926927526 /nfs/dbraw/zinc/92/75/26/926927526.db2.gz MBQGRAPVABZWIL-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422914990 926927533 /nfs/dbraw/zinc/92/75/33/926927533.db2.gz MBQGRAPVABZWIL-MWLCHTKSSA-N 1 1 307.354 -1.281 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001422897425 926928341 /nfs/dbraw/zinc/92/83/41/926928341.db2.gz NRDCVAXNAKENAE-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001422897425 926928346 /nfs/dbraw/zinc/92/83/46/926928346.db2.gz NRDCVAXNAKENAE-MRVPVSSYSA-N 1 1 311.346 -1.457 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913112 926928511 /nfs/dbraw/zinc/92/85/11/926928511.db2.gz GKDHMZOUXIXDLG-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001422913112 926928521 /nfs/dbraw/zinc/92/85/21/926928521.db2.gz GKDHMZOUXIXDLG-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001422914217 926928624 /nfs/dbraw/zinc/92/86/24/926928624.db2.gz DEJPUVFIHYEXMT-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001422914217 926928635 /nfs/dbraw/zinc/92/86/35/926928635.db2.gz DEJPUVFIHYEXMT-SECBINFHSA-N 1 1 322.369 -1.238 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001422913129 926928787 /nfs/dbraw/zinc/92/87/87/926928787.db2.gz ABRJBQIIAQXJTI-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001422913129 926928799 /nfs/dbraw/zinc/92/87/99/926928799.db2.gz ABRJBQIIAQXJTI-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[N@@H+](C)CCn1cncn1 ZINC001422925913 926930319 /nfs/dbraw/zinc/93/03/19/926930319.db2.gz OZUDGVAPXPMQDO-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932406 926930601 /nfs/dbraw/zinc/93/06/01/926930601.db2.gz ISLDANSKKNPKBY-SFYZADRCSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932406 926930611 /nfs/dbraw/zinc/93/06/11/926930611.db2.gz ISLDANSKKNPKBY-SFYZADRCSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001422935066 926930636 /nfs/dbraw/zinc/93/06/36/926930636.db2.gz KTLLZJVJIAGZLZ-QMMMGPOBSA-N 1 1 323.357 -1.076 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC001422944119 926931024 /nfs/dbraw/zinc/93/10/24/926931024.db2.gz KTRNGEVCUXDPNQ-UHFFFAOYSA-N 1 1 322.431 -1.703 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CCF)CC1 ZINC001422924930 926931197 /nfs/dbraw/zinc/93/11/97/926931197.db2.gz KQTHKMWRZDAUSV-UHFFFAOYSA-N 1 1 310.395 -1.068 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001422921220 926931218 /nfs/dbraw/zinc/93/12/18/926931218.db2.gz WAWNUHHPDJUZTN-SNVBAGLBSA-N 1 1 312.374 -1.591 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001422977642 926934186 /nfs/dbraw/zinc/93/41/86/926934186.db2.gz NUDHSKNANKVHCI-WDEREUQCSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001423055981 926938813 /nfs/dbraw/zinc/93/88/13/926938813.db2.gz AJJONGCSGIXYOH-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001423055981 926938821 /nfs/dbraw/zinc/93/88/21/926938821.db2.gz AJJONGCSGIXYOH-LBPRGKRZSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001423055977 926939333 /nfs/dbraw/zinc/93/93/33/926939333.db2.gz AJJONGCSGIXYOH-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CNC(=O)C1CC1)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001423055977 926939349 /nfs/dbraw/zinc/93/93/49/926939349.db2.gz AJJONGCSGIXYOH-GFCCVEGCSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1nnnn1C ZINC001423025894 926941259 /nfs/dbraw/zinc/94/12/59/926941259.db2.gz WDSBNSQXIADQDU-QMMMGPOBSA-N 1 1 306.330 -1.044 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001423062333 926942228 /nfs/dbraw/zinc/94/22/28/926942228.db2.gz PWDWKINTJBTRNO-SNVBAGLBSA-N 1 1 309.374 -1.142 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCCS1(=O)=O ZINC001423094387 926946520 /nfs/dbraw/zinc/94/65/20/926946520.db2.gz RABRJNOLPYTQGZ-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)COC ZINC001423120956 926949082 /nfs/dbraw/zinc/94/90/82/926949082.db2.gz KSLBKCOENCJPIH-VHSXEESVSA-N 1 1 308.404 -1.734 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCOC2)c1=O ZINC001423106653 926949295 /nfs/dbraw/zinc/94/92/95/926949295.db2.gz HYHGYSHTPXECPH-NEPJUHHUSA-N 1 1 309.370 -1.191 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)COC ZINC001423120947 926950327 /nfs/dbraw/zinc/95/03/27/926950327.db2.gz KSLBKCOENCJPIH-NXEZZACHSA-N 1 1 308.404 -1.734 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC(=O)NC(=O)NC ZINC001423137540 926952082 /nfs/dbraw/zinc/95/20/82/926952082.db2.gz KIQZAOIXAFXNMH-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)F)C(=O)N(C)C ZINC001423179474 926954509 /nfs/dbraw/zinc/95/45/09/926954509.db2.gz PMSDLOMHSDGPDC-JGVFFNPUSA-N 1 1 324.328 -2.089 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001423189035 926959949 /nfs/dbraw/zinc/95/99/49/926959949.db2.gz JJDQPSPFHLBMFN-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)CN1CCCC1=O ZINC001423189446 926959977 /nfs/dbraw/zinc/95/99/77/926959977.db2.gz FGAQOJUHBLMFIZ-LLVKDONJSA-N 1 1 324.385 -1.513 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1nccnc1N ZINC001423190676 926960259 /nfs/dbraw/zinc/96/02/59/926960259.db2.gz PMCLSIJPALTGDH-VIFPVBQESA-N 1 1 305.342 -1.327 20 0 DAADMO Cc1csc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001423189641 926960362 /nfs/dbraw/zinc/96/03/62/926960362.db2.gz GDNCYYPCFODTFK-VIFPVBQESA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001423196424 926965831 /nfs/dbraw/zinc/96/58/31/926965831.db2.gz NTMSSXXPGOPVPR-OLZOCXBDSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001423196424 926965843 /nfs/dbraw/zinc/96/58/43/926965843.db2.gz NTMSSXXPGOPVPR-OLZOCXBDSA-N 1 1 323.397 -1.318 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001423209007 926969350 /nfs/dbraw/zinc/96/93/50/926969350.db2.gz REVUHTFCQDSQCF-YUMQZZPRSA-N 1 1 317.371 -1.422 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001423209001 926969645 /nfs/dbraw/zinc/96/96/45/926969645.db2.gz REVUHTFCQDSQCF-SFYZADRCSA-N 1 1 317.371 -1.422 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001423210228 926970182 /nfs/dbraw/zinc/97/01/82/926970182.db2.gz PMIKWRJYSGQJLA-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001423209296 926970420 /nfs/dbraw/zinc/97/04/20/926970420.db2.gz WBQUCGLKBHTHNP-VIFPVBQESA-N 1 1 301.372 -1.417 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001423208519 926970569 /nfs/dbraw/zinc/97/05/69/926970569.db2.gz NJOPYEADTUOZBZ-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001423208986 926970738 /nfs/dbraw/zinc/97/07/38/926970738.db2.gz REVUHTFCQDSQCF-HTQZYQBOSA-N 1 1 317.371 -1.422 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1nncs1 ZINC001423208995 926970976 /nfs/dbraw/zinc/97/09/76/926970976.db2.gz REVUHTFCQDSQCF-JGVFFNPUSA-N 1 1 317.371 -1.422 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C1=CCCC1)N1CCNC(=O)C1 ZINC001423209916 926971165 /nfs/dbraw/zinc/97/11/65/926971165.db2.gz DTFVMSPQJAQAJE-LBPRGKRZSA-N 1 1 324.381 -1.878 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cn(C)cn1 ZINC001423212040 926972106 /nfs/dbraw/zinc/97/21/06/926972106.db2.gz GLSIYXSGYFEBEF-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CO[C@H]2CCOC2)n1 ZINC001423216212 926977270 /nfs/dbraw/zinc/97/72/70/926977270.db2.gz HNZYXDKJUWMRHJ-OLZOCXBDSA-N 1 1 312.370 -1.208 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2cnn(C)n2)CC[N@H+]1C ZINC001423216935 926977401 /nfs/dbraw/zinc/97/74/01/926977401.db2.gz RGRMTQCJEFKETN-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001423221122 926978808 /nfs/dbraw/zinc/97/88/08/926978808.db2.gz QWHLKHYDYRGNIT-JHJVBQTASA-N 1 1 314.430 -1.128 20 0 DAADMO CCN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001423221122 926978819 /nfs/dbraw/zinc/97/88/19/926978819.db2.gz QWHLKHYDYRGNIT-JHJVBQTASA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1csc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)n1 ZINC001423220639 926979404 /nfs/dbraw/zinc/97/94/04/926979404.db2.gz QDBNGCNLRXCIMP-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2ccn(C)n2)n1 ZINC001423222206 926979574 /nfs/dbraw/zinc/97/95/74/926979574.db2.gz VMWUPBLKDIBODR-CYBMUJFWSA-N 1 1 306.370 -1.037 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCCC(=O)N2)nn1C ZINC001423229164 926985500 /nfs/dbraw/zinc/98/55/00/926985500.db2.gz PCIYPROGPNKTJJ-QWHCGFSZSA-N 1 1 323.397 -1.036 20 0 DAADMO C[C@H]([NH2+][C@H](CO)CNC(=O)c1ncccc1O)C(=O)N(C)C ZINC001423233063 926990656 /nfs/dbraw/zinc/99/06/56/926990656.db2.gz OLRUNDBDTNDKCT-UWVGGRQHSA-N 1 1 310.354 -1.056 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001423236898 926991801 /nfs/dbraw/zinc/99/18/01/926991801.db2.gz YFQSMFHEWXLHPA-VIFPVBQESA-N 1 1 321.399 -2.104 20 0 DAADMO NC(=O)C[NH2+][C@@H](CO)CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001423236892 926991971 /nfs/dbraw/zinc/99/19/71/926991971.db2.gz YFQSMFHEWXLHPA-SECBINFHSA-N 1 1 321.399 -2.104 20 0 DAADMO COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C1=NC(=O)N(C)C1 ZINC001423258253 927003847 /nfs/dbraw/zinc/00/38/47/927003847.db2.gz KRPXAJXHLHCTDW-IUCAKERBSA-N 1 1 302.331 -2.187 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001423260128 927003878 /nfs/dbraw/zinc/00/38/78/927003878.db2.gz QTKNLLFMKNDGMB-QWHCGFSZSA-N 1 1 312.414 -1.374 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)CCC[NH+](C)C)C1=O ZINC001423262099 927004559 /nfs/dbraw/zinc/00/45/59/927004559.db2.gz ZXHJNGGQGOMDSD-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001423266212 927005429 /nfs/dbraw/zinc/00/54/29/927005429.db2.gz PSWRPJKBKMGCTF-LLVKDONJSA-N 1 1 324.385 -2.581 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001423263354 927005490 /nfs/dbraw/zinc/00/54/90/927005490.db2.gz FFDFFRDQGVMTEX-YGRLFVJLSA-N 1 1 309.370 -1.345 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001423268076 927008389 /nfs/dbraw/zinc/00/83/89/927008389.db2.gz UBMBYQDOUFIZDO-GXSJLCMTSA-N 1 1 309.370 -1.137 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001423282167 927013268 /nfs/dbraw/zinc/01/32/68/927013268.db2.gz JTPFLOXHJOMFAB-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001423282167 927013284 /nfs/dbraw/zinc/01/32/84/927013284.db2.gz JTPFLOXHJOMFAB-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO COc1nccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001423279558 927013614 /nfs/dbraw/zinc/01/36/14/927013614.db2.gz FCSZBILTYRTMEO-MNOVXSKESA-N 1 1 323.353 -1.670 20 0 DAADMO CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(=O)NC)[NH+](C)C ZINC001423297313 927017421 /nfs/dbraw/zinc/01/74/21/927017421.db2.gz OXUNBHYTKOYVPU-VHSXEESVSA-N 1 1 317.390 -2.151 20 0 DAADMO CCN1CC[C@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423293939 927018800 /nfs/dbraw/zinc/01/88/00/927018800.db2.gz JRPJKQSBTXLKNU-STQMWFEESA-N 1 1 324.425 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001423298029 927019566 /nfs/dbraw/zinc/01/95/66/927019566.db2.gz DUVYDIVZBWISPI-OLZOCXBDSA-N 1 1 323.397 -1.236 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2ncccn2)C1 ZINC001423298029 927019583 /nfs/dbraw/zinc/01/95/83/927019583.db2.gz DUVYDIVZBWISPI-OLZOCXBDSA-N 1 1 323.397 -1.236 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)N[C@H](C)c1nnnn1C ZINC001423302027 927020667 /nfs/dbraw/zinc/02/06/67/927020667.db2.gz KNFOSVJQQYITPZ-KOLCDFICSA-N 1 1 322.373 -1.457 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)o1 ZINC001423299566 927021368 /nfs/dbraw/zinc/02/13/68/927021368.db2.gz DVHUMNJESDMUOF-SECBINFHSA-N 1 1 320.371 -1.901 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423300023 927022571 /nfs/dbraw/zinc/02/25/71/927022571.db2.gz HAYYVOPITZYHBH-VXGBXAGGSA-N 1 1 300.403 -1.469 20 0 DAADMO CCCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423300023 927022584 /nfs/dbraw/zinc/02/25/84/927022584.db2.gz HAYYVOPITZYHBH-VXGBXAGGSA-N 1 1 300.403 -1.469 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423301990 927023072 /nfs/dbraw/zinc/02/30/72/927023072.db2.gz UVBWPCZMBHIWBA-RYUDHWBXSA-N 1 1 310.398 -1.620 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001423302769 927023350 /nfs/dbraw/zinc/02/33/50/927023350.db2.gz OEPNFJTUNQCXRB-JTQLQIEISA-N 1 1 323.353 -1.099 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001423306301 927024547 /nfs/dbraw/zinc/02/45/47/927024547.db2.gz PCYXTWLXPNWLPV-JTQLQIEISA-N 1 1 315.374 -2.396 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001423305670 927024662 /nfs/dbraw/zinc/02/46/62/927024662.db2.gz RVZZAISDZRJPCR-MRVPVSSYSA-N 1 1 320.375 -3.069 20 0 DAADMO Cn1ncc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001423305980 927026591 /nfs/dbraw/zinc/02/65/91/927026591.db2.gz ZEPRJGHMBHJJAI-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001423363108 927030775 /nfs/dbraw/zinc/03/07/75/927030775.db2.gz SWRFKGPBAZXBBR-UHFFFAOYSA-N 1 1 310.358 -1.157 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ccn[nH]2)C1 ZINC001423349990 927030812 /nfs/dbraw/zinc/03/08/12/927030812.db2.gz YDJAEQQRGWMSRB-KOLCDFICSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC001423345393 927033026 /nfs/dbraw/zinc/03/30/26/927033026.db2.gz GEYAHJOOUMADEY-HZMBPMFUSA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC001423345393 927033041 /nfs/dbraw/zinc/03/30/41/927033041.db2.gz GEYAHJOOUMADEY-HZMBPMFUSA-N 1 1 311.386 -1.096 20 0 DAADMO CC[N@H+]1CC[C@@]2(CCN(C(=O)CNS(=O)(=O)NC)C2)C1 ZINC001423370723 927034830 /nfs/dbraw/zinc/03/48/30/927034830.db2.gz XTOJMZHPGZKCNM-GFCCVEGCSA-N 1 1 304.416 -1.016 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001423364830 927036076 /nfs/dbraw/zinc/03/60/76/927036076.db2.gz QQMGJBIQWZJBNP-OAHLLOKOSA-N 1 1 308.382 -1.078 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001423371526 927036317 /nfs/dbraw/zinc/03/63/17/927036317.db2.gz ITPPMHUEIOXUHH-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001423371526 927036327 /nfs/dbraw/zinc/03/63/27/927036327.db2.gz ITPPMHUEIOXUHH-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CS[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423415286 927040722 /nfs/dbraw/zinc/04/07/22/927040722.db2.gz HNSOHORZQYIHNV-IUCAKERBSA-N 1 1 302.404 -1.130 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccnc1 ZINC001423420961 927042602 /nfs/dbraw/zinc/04/26/02/927042602.db2.gz NSVHXRVDMOXXNW-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001423427634 927043620 /nfs/dbraw/zinc/04/36/20/927043620.db2.gz JKQLPZIRTGROFR-VIFPVBQESA-N 1 1 314.346 -1.920 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cscn1 ZINC001423428224 927043901 /nfs/dbraw/zinc/04/39/01/927043901.db2.gz ALFDDZVCOQBIFG-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001423435212 927047895 /nfs/dbraw/zinc/04/78/95/927047895.db2.gz OTRPDAANZHVURY-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(CC(=O)NC(N)=O)C1 ZINC001423436271 927048834 /nfs/dbraw/zinc/04/88/34/927048834.db2.gz NRTRVEORNDJXST-UHFFFAOYSA-N 1 1 308.342 -1.471 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001423449031 927055740 /nfs/dbraw/zinc/05/57/40/927055740.db2.gz SUNYUZKGDXMSHL-CYBMUJFWSA-N 1 1 321.381 -1.136 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001423444660 927056139 /nfs/dbraw/zinc/05/61/39/927056139.db2.gz XUHZTKRANKDGJY-VIFPVBQESA-N 1 1 314.346 -1.784 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1nnc[nH]1 ZINC001423473579 927064964 /nfs/dbraw/zinc/06/49/64/927064964.db2.gz GBIYPMNTSVAPGE-MRVPVSSYSA-N 1 1 309.334 -2.520 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)C ZINC001423470024 927065348 /nfs/dbraw/zinc/06/53/48/927065348.db2.gz SEAQBQRECGWCCI-SNVBAGLBSA-N 1 1 312.374 -1.340 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1nnc[nH]1 ZINC001423473587 927065866 /nfs/dbraw/zinc/06/58/66/927065866.db2.gz GBIYPMNTSVAPGE-QMMMGPOBSA-N 1 1 309.334 -2.520 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cc(=O)n(C)cn1 ZINC001423470276 927066513 /nfs/dbraw/zinc/06/65/13/927066513.db2.gz TXQGABUPZGAADF-SNVBAGLBSA-N 1 1 322.325 -1.614 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)Cn1ncn(C)c1=O ZINC001423472651 927067263 /nfs/dbraw/zinc/06/72/63/927067263.db2.gz XDZICLWQJPROBR-LLVKDONJSA-N 1 1 324.341 -1.821 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)Cn1ncn(C)c1=O ZINC001423472655 927068347 /nfs/dbraw/zinc/06/83/47/927068347.db2.gz XDZICLWQJPROBR-NSHDSACASA-N 1 1 324.341 -1.821 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)CCn2cnnn2)co1 ZINC001423476718 927069005 /nfs/dbraw/zinc/06/90/05/927069005.db2.gz IMYATDDJEHVFEV-LBPRGKRZSA-N 1 1 323.357 -1.031 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1n[nH]cc1F ZINC001423477760 927071394 /nfs/dbraw/zinc/07/13/94/927071394.db2.gz UUUVCBNHCOOBSY-ZETCQYMHSA-N 1 1 312.309 -1.705 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)CCNC(N)=O ZINC001423487913 927074377 /nfs/dbraw/zinc/07/43/77/927074377.db2.gz VFEPLVPOSJOSMU-SNVBAGLBSA-N 1 1 310.358 -1.556 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001423497199 927076756 /nfs/dbraw/zinc/07/67/56/927076756.db2.gz AHBWWTDHAHUQPV-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001423497199 927076774 /nfs/dbraw/zinc/07/67/74/927076774.db2.gz AHBWWTDHAHUQPV-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cccn1 ZINC001423497964 927077740 /nfs/dbraw/zinc/07/77/40/927077740.db2.gz VFRKLJAIDZZCLU-STQMWFEESA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cn1ccnc1 ZINC001423493356 927078816 /nfs/dbraw/zinc/07/88/16/927078816.db2.gz VKALMRMLVKQIMZ-GFCCVEGCSA-N 1 1 307.358 -1.379 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cccn1 ZINC001423497961 927079181 /nfs/dbraw/zinc/07/91/81/927079181.db2.gz VFRKLJAIDZZCLU-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508585 927080963 /nfs/dbraw/zinc/08/09/63/927080963.db2.gz PXJSMNMVUQZGBE-DTWKUNHWSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001423508585 927080977 /nfs/dbraw/zinc/08/09/77/927080977.db2.gz PXJSMNMVUQZGBE-DTWKUNHWSA-N 1 1 311.342 -1.579 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001423506770 927081189 /nfs/dbraw/zinc/08/11/89/927081189.db2.gz RAKLGOUJACMLAU-GFCCVEGCSA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001423506770 927081203 /nfs/dbraw/zinc/08/12/03/927081203.db2.gz RAKLGOUJACMLAU-GFCCVEGCSA-N 1 1 314.386 -2.038 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001423505353 927081530 /nfs/dbraw/zinc/08/15/30/927081530.db2.gz PDOGLLYTENOYGM-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001423505353 927081543 /nfs/dbraw/zinc/08/15/43/927081543.db2.gz PDOGLLYTENOYGM-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001423503311 927082037 /nfs/dbraw/zinc/08/20/37/927082037.db2.gz LIZYNZGSWIRIOA-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001423509100 927082360 /nfs/dbraw/zinc/08/23/60/927082360.db2.gz CFIFMEXJSCJMCF-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001423509100 927082362 /nfs/dbraw/zinc/08/23/62/927082362.db2.gz CFIFMEXJSCJMCF-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC ZINC001423510174 927082833 /nfs/dbraw/zinc/08/28/33/927082833.db2.gz DUSZEQSNAXMUTI-QWRGUYRKSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC ZINC001423510174 927082847 /nfs/dbraw/zinc/08/28/47/927082847.db2.gz DUSZEQSNAXMUTI-QWRGUYRKSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001423510674 927083452 /nfs/dbraw/zinc/08/34/52/927083452.db2.gz LXBURPRBHHEQFU-SNVBAGLBSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001423510674 927083456 /nfs/dbraw/zinc/08/34/56/927083456.db2.gz LXBURPRBHHEQFU-SNVBAGLBSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)cn1 ZINC001423510518 927083591 /nfs/dbraw/zinc/08/35/91/927083591.db2.gz FTYJVKQHWNYOFG-NSHDSACASA-N 1 1 311.386 -1.100 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)CC1=O ZINC001423504772 927083944 /nfs/dbraw/zinc/08/39/44/927083944.db2.gz MZWOKPLAYYFOGZ-OLZOCXBDSA-N 1 1 315.414 -1.012 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001423508058 927084754 /nfs/dbraw/zinc/08/47/54/927084754.db2.gz VMLJYRBYYCMNEW-JTQLQIEISA-N 1 1 311.342 -1.707 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001423508058 927084769 /nfs/dbraw/zinc/08/47/69/927084769.db2.gz VMLJYRBYYCMNEW-JTQLQIEISA-N 1 1 311.342 -1.707 20 0 DAADMO CC1(NC(=O)Cn2cncn2)CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001423521305 927085541 /nfs/dbraw/zinc/08/55/41/927085541.db2.gz GKJCUDIAIWEGTN-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001423521008 927086120 /nfs/dbraw/zinc/08/61/20/927086120.db2.gz UOPATEXDJQBVDY-KGLIPLIRSA-N 1 1 317.430 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423515046 927086419 /nfs/dbraw/zinc/08/64/19/927086419.db2.gz OQHOJYXDFPRZAD-ZJUUUORDSA-N 1 1 313.362 -2.312 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001423522466 927086513 /nfs/dbraw/zinc/08/65/13/927086513.db2.gz GRCWASRFVXXRED-KGLIPLIRSA-N 1 1 315.414 -1.012 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001423513062 927086583 /nfs/dbraw/zinc/08/65/83/927086583.db2.gz GMOAEZSUACIXCJ-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001423513062 927086597 /nfs/dbraw/zinc/08/65/97/927086597.db2.gz GMOAEZSUACIXCJ-JTQLQIEISA-N 1 1 312.374 -1.304 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)ncc1C(N)=O ZINC001423519229 927086741 /nfs/dbraw/zinc/08/67/41/927086741.db2.gz AQIZOLNFQIAFGQ-NSHDSACASA-N 1 1 324.381 -1.154 20 0 DAADMO COc1cccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001423528108 927086888 /nfs/dbraw/zinc/08/68/88/927086888.db2.gz CEWKBJGXYWWJHE-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001423528108 927086893 /nfs/dbraw/zinc/08/68/93/927086893.db2.gz CEWKBJGXYWWJHE-JTQLQIEISA-N 1 1 310.354 -1.060 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423518603 927087824 /nfs/dbraw/zinc/08/78/24/927087824.db2.gz QXTXLFWMZLMFGC-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423518603 927087836 /nfs/dbraw/zinc/08/78/36/927087836.db2.gz QXTXLFWMZLMFGC-WDEREUQCSA-N 1 1 314.386 -1.990 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525934 927088001 /nfs/dbraw/zinc/08/80/01/927088001.db2.gz OJVNBGPPCZUGSI-IUCAKERBSA-N 1 1 313.358 -1.636 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001423525934 927088010 /nfs/dbraw/zinc/08/80/10/927088010.db2.gz OJVNBGPPCZUGSI-IUCAKERBSA-N 1 1 313.358 -1.636 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516894 927088168 /nfs/dbraw/zinc/08/81/68/927088168.db2.gz USWNZWRXDPRQSA-VHSXEESVSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001423516894 927088179 /nfs/dbraw/zinc/08/81/79/927088179.db2.gz USWNZWRXDPRQSA-VHSXEESVSA-N 1 1 318.374 -1.772 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001423519483 927088754 /nfs/dbraw/zinc/08/87/54/927088754.db2.gz BRQSLGQYAHRVOB-MNOVXSKESA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001423519483 927088766 /nfs/dbraw/zinc/08/87/66/927088766.db2.gz BRQSLGQYAHRVOB-MNOVXSKESA-N 1 1 302.375 -1.863 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001423519930 927088995 /nfs/dbraw/zinc/08/89/95/927088995.db2.gz BAIJVIFYOIEELL-NXEZZACHSA-N 1 1 316.362 -2.418 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001423519935 927089142 /nfs/dbraw/zinc/08/91/42/927089142.db2.gz BAIJVIFYOIEELL-VHSXEESVSA-N 1 1 316.362 -2.418 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001423519477 927089235 /nfs/dbraw/zinc/08/92/35/927089235.db2.gz BRQSLGQYAHRVOB-GHMZBOCLSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001423519477 927089250 /nfs/dbraw/zinc/08/92/50/927089250.db2.gz BRQSLGQYAHRVOB-GHMZBOCLSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CCC(F)F ZINC001423528489 927089275 /nfs/dbraw/zinc/08/92/75/927089275.db2.gz QFVHWPMYHNWCPW-QMMMGPOBSA-N 1 1 324.328 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCC(F)F ZINC001423528489 927089293 /nfs/dbraw/zinc/08/92/93/927089293.db2.gz QFVHWPMYHNWCPW-QMMMGPOBSA-N 1 1 324.328 -1.022 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516952 927089376 /nfs/dbraw/zinc/08/93/76/927089376.db2.gz OAPJQQVOQRTPLB-UWVGGRQHSA-N 1 1 312.374 -1.388 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001423516952 927089391 /nfs/dbraw/zinc/08/93/91/927089391.db2.gz OAPJQQVOQRTPLB-UWVGGRQHSA-N 1 1 312.374 -1.388 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001423515814 927089845 /nfs/dbraw/zinc/08/98/45/927089845.db2.gz YSPUMFWUHFSIGX-ZYHUDNBSSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001423529406 927091013 /nfs/dbraw/zinc/09/10/13/927091013.db2.gz HORDUIIQBPTZSB-ZYHUDNBSSA-N 1 1 324.385 -1.590 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001423541614 927091224 /nfs/dbraw/zinc/09/12/24/927091224.db2.gz DUOAULCJCUQPGK-NWDGAFQWSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001423541625 927091622 /nfs/dbraw/zinc/09/16/22/927091622.db2.gz DUOAULCJCUQPGK-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423535751 927092374 /nfs/dbraw/zinc/09/23/74/927092374.db2.gz BVDSKUNJQGSZBV-RYUDHWBXSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423535751 927092389 /nfs/dbraw/zinc/09/23/89/927092389.db2.gz BVDSKUNJQGSZBV-RYUDHWBXSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423535748 927093695 /nfs/dbraw/zinc/09/36/95/927093695.db2.gz BVDSKUNJQGSZBV-NEPJUHHUSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423535748 927093711 /nfs/dbraw/zinc/09/37/11/927093711.db2.gz BVDSKUNJQGSZBV-NEPJUHHUSA-N 1 1 324.385 -1.647 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001423546201 927093984 /nfs/dbraw/zinc/09/39/84/927093984.db2.gz SASCMXMCPFSTJB-NSHDSACASA-N 1 1 312.374 -2.016 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001423546201 927094001 /nfs/dbraw/zinc/09/40/01/927094001.db2.gz SASCMXMCPFSTJB-NSHDSACASA-N 1 1 312.374 -2.016 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001423541610 927094133 /nfs/dbraw/zinc/09/41/33/927094133.db2.gz DUOAULCJCUQPGK-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547227 927094414 /nfs/dbraw/zinc/09/44/14/927094414.db2.gz LDDSQQMIWHXZHB-GFCCVEGCSA-N 1 1 311.386 -1.311 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)N2CCCC2)CC[N@H+](CC(N)=O)C1 ZINC001423566058 927095279 /nfs/dbraw/zinc/09/52/79/927095279.db2.gz USOCHJSDEWRWFE-AWEZNQCLSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@]1(NC(=O)CNC(=O)N2CCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001423566058 927095292 /nfs/dbraw/zinc/09/52/92/927095292.db2.gz USOCHJSDEWRWFE-AWEZNQCLSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)N2CCCC2)CC[N@H+](CC(N)=O)C1 ZINC001423566062 927096990 /nfs/dbraw/zinc/09/69/90/927096990.db2.gz USOCHJSDEWRWFE-CQSZACIVSA-N 1 1 311.386 -1.142 20 0 DAADMO C[C@@]1(NC(=O)CNC(=O)N2CCCC2)CC[N@@H+](CC(N)=O)C1 ZINC001423566062 927097002 /nfs/dbraw/zinc/09/70/02/927097002.db2.gz USOCHJSDEWRWFE-CQSZACIVSA-N 1 1 311.386 -1.142 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423582255 927097310 /nfs/dbraw/zinc/09/73/10/927097310.db2.gz JXPTWRQVSLBNCA-AWEZNQCLSA-N 1 1 323.353 -1.725 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001423582255 927097322 /nfs/dbraw/zinc/09/73/22/927097322.db2.gz JXPTWRQVSLBNCA-AWEZNQCLSA-N 1 1 323.353 -1.725 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423553111 927098443 /nfs/dbraw/zinc/09/84/43/927098443.db2.gz YKHKOGQSZUZEIY-UWVGGRQHSA-N 1 1 315.374 -2.493 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423553111 927098464 /nfs/dbraw/zinc/09/84/64/927098464.db2.gz YKHKOGQSZUZEIY-UWVGGRQHSA-N 1 1 315.374 -2.493 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001423549186 927099012 /nfs/dbraw/zinc/09/90/12/927099012.db2.gz GQHJPUUJDQPMGA-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnnn1C)[C@H]1CCNC1=O ZINC001423626194 927100231 /nfs/dbraw/zinc/10/02/31/927100231.db2.gz KKKLSNXUMZWEHT-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnnn1C)[C@H]1CCNC1=O ZINC001423626194 927100243 /nfs/dbraw/zinc/10/02/43/927100243.db2.gz KKKLSNXUMZWEHT-JTQLQIEISA-N 1 1 310.358 -1.618 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](CCOC)[C@@H]1CCNC1=O ZINC001423626532 927100274 /nfs/dbraw/zinc/10/02/74/927100274.db2.gz MQZWTKFFJDDLQV-LLVKDONJSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](CCOC)[C@@H]1CCNC1=O ZINC001423626532 927100283 /nfs/dbraw/zinc/10/02/83/927100283.db2.gz MQZWTKFFJDDLQV-LLVKDONJSA-N 1 1 324.385 -1.135 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1COCCO1)[C@H]1CCNC1=O ZINC001423633071 927100556 /nfs/dbraw/zinc/10/05/56/927100556.db2.gz KBTCBMORIJKQFG-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1COCCO1)[C@H]1CCNC1=O ZINC001423633071 927100561 /nfs/dbraw/zinc/10/05/61/927100561.db2.gz KBTCBMORIJKQFG-RYUDHWBXSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC001423631245 927100695 /nfs/dbraw/zinc/10/06/95/927100695.db2.gz YVNFBWFXEHLAEU-SNVBAGLBSA-N 1 1 311.346 -2.374 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCNC1=O ZINC001423631245 927100700 /nfs/dbraw/zinc/10/07/00/927100700.db2.gz YVNFBWFXEHLAEU-SNVBAGLBSA-N 1 1 311.346 -2.374 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C[C@H](C)O ZINC001423635274 927101245 /nfs/dbraw/zinc/10/12/45/927101245.db2.gz ZTSSGFQXMFOQEO-NSHDSACASA-N 1 1 312.370 -1.161 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](CCOC)[C@H]1CCNC1=O ZINC001423626534 927101972 /nfs/dbraw/zinc/10/19/72/927101972.db2.gz MQZWTKFFJDDLQV-NSHDSACASA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](CCOC)[C@H]1CCNC1=O ZINC001423626534 927101979 /nfs/dbraw/zinc/10/19/79/927101979.db2.gz MQZWTKFFJDDLQV-NSHDSACASA-N 1 1 324.385 -1.135 20 0 DAADMO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001423640293 927102188 /nfs/dbraw/zinc/10/21/88/927102188.db2.gz FKZYJCBOULTWTI-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423738804 927106994 /nfs/dbraw/zinc/10/69/94/927106994.db2.gz BOQKGTIFZNZAJV-GYSYKLTISA-N 1 1 315.370 -2.175 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423741879 927108271 /nfs/dbraw/zinc/10/82/71/927108271.db2.gz OUSQXYFQFVXAJC-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423741879 927108281 /nfs/dbraw/zinc/10/82/81/927108281.db2.gz OUSQXYFQFVXAJC-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001423737773 927108378 /nfs/dbraw/zinc/10/83/78/927108378.db2.gz FSFSSPWGIBJLTL-ZDUSSCGKSA-N 1 1 310.310 -1.359 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001423737773 927108390 /nfs/dbraw/zinc/10/83/90/927108390.db2.gz FSFSSPWGIBJLTL-ZDUSSCGKSA-N 1 1 310.310 -1.359 20 0 DAADMO Cn1nncc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423737104 927108882 /nfs/dbraw/zinc/10/88/82/927108882.db2.gz FFDWFEZNESAQBY-DZGCQCFKSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423737438 927109121 /nfs/dbraw/zinc/10/91/21/927109121.db2.gz FYCPVFPILPIMGW-XHDPSFHLSA-N 1 1 323.397 -1.018 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001423745936 927109963 /nfs/dbraw/zinc/10/99/63/927109963.db2.gz KSZSKKMXNNGGOV-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001423745936 927109970 /nfs/dbraw/zinc/10/99/70/927109970.db2.gz KSZSKKMXNNGGOV-CQSZACIVSA-N 1 1 324.385 -1.643 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423745716 927110344 /nfs/dbraw/zinc/11/03/44/927110344.db2.gz NWFWIQDYAPSYGH-QMTHXVAHSA-N 1 1 312.370 -2.094 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001423745716 927110354 /nfs/dbraw/zinc/11/03/54/927110354.db2.gz NWFWIQDYAPSYGH-QMTHXVAHSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001423750620 927110742 /nfs/dbraw/zinc/11/07/42/927110742.db2.gz RXFZIEDUZGSMNK-OAHLLOKOSA-N 1 1 323.397 -1.049 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001423743355 927111089 /nfs/dbraw/zinc/11/10/89/927111089.db2.gz ANZWKIGRYHURDJ-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001423743355 927111096 /nfs/dbraw/zinc/11/10/96/927111096.db2.gz ANZWKIGRYHURDJ-LLVKDONJSA-N 1 1 309.388 -2.265 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001423748442 927111742 /nfs/dbraw/zinc/11/17/42/927111742.db2.gz XRXZZNIIUDGMLU-YMTOWFKASA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001423748442 927111754 /nfs/dbraw/zinc/11/17/54/927111754.db2.gz XRXZZNIIUDGMLU-YMTOWFKASA-N 1 1 312.370 -1.077 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnns1 ZINC001423745595 927112155 /nfs/dbraw/zinc/11/21/55/927112155.db2.gz FWUDZOZDRBQNDN-PRHODGIISA-N 1 1 311.367 -1.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnns1 ZINC001423745595 927112167 /nfs/dbraw/zinc/11/21/67/927112167.db2.gz FWUDZOZDRBQNDN-PRHODGIISA-N 1 1 311.367 -1.407 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423752830 927112566 /nfs/dbraw/zinc/11/25/66/927112566.db2.gz ZJTSHFYAQKSHCV-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1nccc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423752830 927112576 /nfs/dbraw/zinc/11/25/76/927112576.db2.gz ZJTSHFYAQKSHCV-BXUZGUMPSA-N 1 1 307.354 -1.525 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCn3cncn3)C2)nn1 ZINC001423756956 927114728 /nfs/dbraw/zinc/11/47/28/927114728.db2.gz JMDJSEKALGFFOP-CYBMUJFWSA-N 1 1 320.357 -1.727 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001423756073 927115099 /nfs/dbraw/zinc/11/50/99/927115099.db2.gz FJBUPEOYXDWQAR-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001423756073 927115111 /nfs/dbraw/zinc/11/51/11/927115111.db2.gz FJBUPEOYXDWQAR-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001423758722 927115506 /nfs/dbraw/zinc/11/55/06/927115506.db2.gz IRAQLSHERHNVML-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001423758722 927115535 /nfs/dbraw/zinc/11/55/35/927115535.db2.gz IRAQLSHERHNVML-CQSZACIVSA-N 1 1 318.337 -1.390 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001423757748 927116731 /nfs/dbraw/zinc/11/67/31/927116731.db2.gz KZSXVKBVBXANAH-XPTSAGLGSA-N 1 1 323.353 -1.517 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001423760849 927117872 /nfs/dbraw/zinc/11/78/72/927117872.db2.gz HDTZNMBDXOBTPN-MFKMUULPSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423764443 927118703 /nfs/dbraw/zinc/11/87/03/927118703.db2.gz ZLLNGALNFCQBQD-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423764443 927118710 /nfs/dbraw/zinc/11/87/10/927118710.db2.gz ZLLNGALNFCQBQD-PRHODGIISA-N 1 1 313.383 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@H+](C(C)C)C1 ZINC001423769579 927118791 /nfs/dbraw/zinc/11/87/91/927118791.db2.gz SVCLSXLNNZEGRX-GFCCVEGCSA-N 1 1 307.416 -1.113 20 0 DAADMO CC1CC(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001423768515 927118864 /nfs/dbraw/zinc/11/88/64/927118864.db2.gz QSHMONMAGCFIGT-RPFQZYLTSA-N 1 1 312.370 -1.220 20 0 DAADMO CC1CC(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001423768515 927118871 /nfs/dbraw/zinc/11/88/71/927118871.db2.gz QSHMONMAGCFIGT-RPFQZYLTSA-N 1 1 312.370 -1.220 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001423770548 927118969 /nfs/dbraw/zinc/11/89/69/927118969.db2.gz FDEXIGBYADUESV-ZDUSSCGKSA-N 1 1 323.357 -2.345 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001423770548 927118976 /nfs/dbraw/zinc/11/89/76/927118976.db2.gz FDEXIGBYADUESV-ZDUSSCGKSA-N 1 1 323.357 -2.345 20 0 DAADMO O=C(CCn1ccccc1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001423770552 927119089 /nfs/dbraw/zinc/11/90/89/927119089.db2.gz UJFVMDXXRAOGNN-HNNXBMFYSA-N 1 1 309.366 -1.216 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761979 927119531 /nfs/dbraw/zinc/11/95/31/927119531.db2.gz SURKSJSBJBNRTC-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001423761979 927119537 /nfs/dbraw/zinc/11/95/37/927119537.db2.gz SURKSJSBJBNRTC-TVQRCGJNSA-N 1 1 310.358 -1.884 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001423777358 927121536 /nfs/dbraw/zinc/12/15/36/927121536.db2.gz JIJXQKJENAVVAF-MWLCHTKSSA-N 1 1 324.403 -3.026 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001423779835 927121960 /nfs/dbraw/zinc/12/19/60/927121960.db2.gz ADBGMVPHRHWBGO-ZDUSSCGKSA-N 1 1 309.326 -2.318 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001423779835 927121970 /nfs/dbraw/zinc/12/19/70/927121970.db2.gz ADBGMVPHRHWBGO-ZDUSSCGKSA-N 1 1 309.326 -2.318 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001423775090 927122265 /nfs/dbraw/zinc/12/22/65/927122265.db2.gz GJQYAPMIALMONU-NOZJJQNGSA-N 1 1 300.359 -2.203 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001423775090 927122273 /nfs/dbraw/zinc/12/22/73/927122273.db2.gz GJQYAPMIALMONU-NOZJJQNGSA-N 1 1 300.359 -2.203 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001423771463 927122361 /nfs/dbraw/zinc/12/23/61/927122361.db2.gz GWNPJIPCRUIDRM-CQSZACIVSA-N 1 1 309.370 -1.115 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001423771463 927122368 /nfs/dbraw/zinc/12/23/68/927122368.db2.gz GWNPJIPCRUIDRM-CQSZACIVSA-N 1 1 309.370 -1.115 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423771489 927122430 /nfs/dbraw/zinc/12/24/30/927122430.db2.gz UZDPNUBVNMDFHA-ZDUSSCGKSA-N 1 1 315.374 -2.396 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1 ZINC001423771489 927122436 /nfs/dbraw/zinc/12/24/36/927122436.db2.gz UZDPNUBVNMDFHA-ZDUSSCGKSA-N 1 1 315.374 -2.396 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001423775095 927123443 /nfs/dbraw/zinc/12/34/43/927123443.db2.gz GJQYAPMIALMONU-ZANVPECISA-N 1 1 300.359 -2.203 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001423775095 927123449 /nfs/dbraw/zinc/12/34/49/927123449.db2.gz GJQYAPMIALMONU-ZANVPECISA-N 1 1 300.359 -2.203 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423771846 927124404 /nfs/dbraw/zinc/12/44/04/927124404.db2.gz AQUZWSPYBPCLAD-GXFFZTMASA-N 1 1 313.358 -1.713 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001423773654 927124460 /nfs/dbraw/zinc/12/44/60/927124460.db2.gz YJABOEHKTRAAHI-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001423773654 927124471 /nfs/dbraw/zinc/12/44/71/927124471.db2.gz YJABOEHKTRAAHI-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793006 927125661 /nfs/dbraw/zinc/12/56/61/927125661.db2.gz ODNPXJRWYUYHLZ-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1ccncn1 ZINC001423793006 927125677 /nfs/dbraw/zinc/12/56/77/927125677.db2.gz ODNPXJRWYUYHLZ-SMDDNHRTSA-N 1 1 305.338 -1.468 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423783516 927126013 /nfs/dbraw/zinc/12/60/13/927126013.db2.gz ZJOJUNHUEPGPFH-ZDUSSCGKSA-N 1 1 310.358 -1.584 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423783516 927126025 /nfs/dbraw/zinc/12/60/25/927126025.db2.gz ZJOJUNHUEPGPFH-ZDUSSCGKSA-N 1 1 310.358 -1.584 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001423788757 927126136 /nfs/dbraw/zinc/12/61/36/927126136.db2.gz JXRSHBWZONWKHY-FZMZJTMJSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001423788757 927126145 /nfs/dbraw/zinc/12/61/45/927126145.db2.gz JXRSHBWZONWKHY-FZMZJTMJSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001423784586 927127006 /nfs/dbraw/zinc/12/70/06/927127006.db2.gz IEIBPXYJVPKCAL-JRPNMDOOSA-N 1 1 324.381 -2.061 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001423784586 927127019 /nfs/dbraw/zinc/12/70/19/927127019.db2.gz IEIBPXYJVPKCAL-JRPNMDOOSA-N 1 1 324.381 -2.061 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)[nH]1 ZINC001423788379 927127054 /nfs/dbraw/zinc/12/70/54/927127054.db2.gz OQNGNKQXUJEDNP-CQSZACIVSA-N 1 1 310.354 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001423786112 927127079 /nfs/dbraw/zinc/12/70/79/927127079.db2.gz DDEZIBHALNOZGF-ZDUSSCGKSA-N 1 1 306.326 -1.686 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001423786112 927127088 /nfs/dbraw/zinc/12/70/88/927127088.db2.gz DDEZIBHALNOZGF-ZDUSSCGKSA-N 1 1 306.326 -1.686 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001423789993 927127306 /nfs/dbraw/zinc/12/73/06/927127306.db2.gz MOBXGRWVPIYGLU-BMIGLBTASA-N 1 1 322.365 -1.272 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001423790145 927127329 /nfs/dbraw/zinc/12/73/29/927127329.db2.gz QYLOXRJDKFNONB-JSGCOSHPSA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1ncccn1 ZINC001423792985 927127414 /nfs/dbraw/zinc/12/74/14/927127414.db2.gz OBQFZVALVMYFNN-CQSZACIVSA-N 1 1 317.353 -1.065 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001423789245 927127465 /nfs/dbraw/zinc/12/74/65/927127465.db2.gz KTUZRPMPDXAMQS-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001423789245 927127479 /nfs/dbraw/zinc/12/74/79/927127479.db2.gz KTUZRPMPDXAMQS-AWEZNQCLSA-N 1 1 322.369 -1.786 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)[nH]1 ZINC001423788375 927127954 /nfs/dbraw/zinc/12/79/54/927127954.db2.gz OQNGNKQXUJEDNP-AWEZNQCLSA-N 1 1 310.354 -1.337 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)N1 ZINC001423790853 927128527 /nfs/dbraw/zinc/12/85/27/927128527.db2.gz LCGBYOLMCBVVID-SMDDNHRTSA-N 1 1 322.369 -1.890 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001423795477 927129333 /nfs/dbraw/zinc/12/93/33/927129333.db2.gz XSAGCNJMQCFGQE-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001423798082 927129491 /nfs/dbraw/zinc/12/94/91/927129491.db2.gz YMALSYSWYMPJTD-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001423798082 927129503 /nfs/dbraw/zinc/12/95/03/927129503.db2.gz YMALSYSWYMPJTD-HZMBPMFUSA-N 1 1 312.370 -2.046 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001423799159 927130460 /nfs/dbraw/zinc/13/04/60/927130460.db2.gz NVHOWXLTFXJZOU-RISCZKNCSA-N 1 1 314.386 -1.366 20 0 DAADMO NC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001423799165 927130598 /nfs/dbraw/zinc/13/05/98/927130598.db2.gz NVHOWXLTFXJZOU-SMDDNHRTSA-N 1 1 314.386 -1.366 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1nnc[nH]1 ZINC001423798625 927130657 /nfs/dbraw/zinc/13/06/57/927130657.db2.gz WFMCJWJTVVYGBJ-AWEZNQCLSA-N 1 1 322.369 -1.503 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001423794283 927130885 /nfs/dbraw/zinc/13/08/85/927130885.db2.gz WEQOJXCSNHGGLQ-SUNKGSAMSA-N 1 1 322.369 -2.011 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001423794283 927130890 /nfs/dbraw/zinc/13/08/90/927130890.db2.gz WEQOJXCSNHGGLQ-SUNKGSAMSA-N 1 1 322.369 -2.011 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001423797643 927131049 /nfs/dbraw/zinc/13/10/49/927131049.db2.gz VMJDOABUYXXAJC-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001423797643 927131055 /nfs/dbraw/zinc/13/10/55/927131055.db2.gz VMJDOABUYXXAJC-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001423797643 927131067 /nfs/dbraw/zinc/13/10/67/927131067.db2.gz VMJDOABUYXXAJC-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001423797643 927131082 /nfs/dbraw/zinc/13/10/82/927131082.db2.gz VMJDOABUYXXAJC-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001423797643 927131091 /nfs/dbraw/zinc/13/10/91/927131091.db2.gz VMJDOABUYXXAJC-AWEZNQCLSA-N 1 1 319.369 -1.053 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001423794464 927131489 /nfs/dbraw/zinc/13/14/89/927131489.db2.gz SYLZHQZIONHVJV-PWSUYJOCSA-N 1 1 308.400 -1.788 20 0 DAADMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423794464 927131495 /nfs/dbraw/zinc/13/14/95/927131495.db2.gz SYLZHQZIONHVJV-PWSUYJOCSA-N 1 1 308.400 -1.788 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798157 927131556 /nfs/dbraw/zinc/13/15/56/927131556.db2.gz FGYLVCCQYCPVBY-FZMZJTMJSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798157 927131570 /nfs/dbraw/zinc/13/15/70/927131570.db2.gz FGYLVCCQYCPVBY-FZMZJTMJSA-N 1 1 314.386 -2.255 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnon1 ZINC001423797610 927132375 /nfs/dbraw/zinc/13/23/75/927132375.db2.gz VDXHJKBONFYHHP-GWCFXTLKSA-N 1 1 309.326 -1.485 20 0 DAADMO Cn1nnc(CN2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001423803553 927133591 /nfs/dbraw/zinc/13/35/91/927133591.db2.gz UMZCGQUYBYSHAY-RISCZKNCSA-N 1 1 323.401 -1.785 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001423804693 927133966 /nfs/dbraw/zinc/13/39/66/927133966.db2.gz YQCYOZOWWVREGL-CYBMUJFWSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001423803120 927134740 /nfs/dbraw/zinc/13/47/40/927134740.db2.gz SSPZDXXGZJXZSZ-ZYHUDNBSSA-N 1 1 323.390 -1.409 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]c1=O ZINC001423804207 927135520 /nfs/dbraw/zinc/13/55/20/927135520.db2.gz UTJSLQZRAAUINV-QMTHXVAHSA-N 1 1 323.353 -1.819 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]c1=O ZINC001423804211 927135619 /nfs/dbraw/zinc/13/56/19/927135619.db2.gz UTJSLQZRAAUINV-YGRLFVJLSA-N 1 1 323.353 -1.819 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001423824336 927143260 /nfs/dbraw/zinc/14/32/60/927143260.db2.gz JULKXALLNDYSRP-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CN1CCOCC1=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001423830325 927145688 /nfs/dbraw/zinc/14/56/88/927145688.db2.gz CAMSBUDVIVCVOM-UHFFFAOYSA-N 1 1 311.382 -1.192 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)O1 ZINC001423866205 927158150 /nfs/dbraw/zinc/15/81/50/927158150.db2.gz ADXMCAMWKUADHK-NWDGAFQWSA-N 1 1 311.382 -1.018 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001423876404 927161631 /nfs/dbraw/zinc/16/16/31/927161631.db2.gz LYMWVWBSGJSUMR-UHFFFAOYSA-N 1 1 320.353 -1.536 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001423870844 927162306 /nfs/dbraw/zinc/16/23/06/927162306.db2.gz OVTOVOQIXDZRFT-LLVKDONJSA-N 1 1 322.365 -1.027 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423883031 927163066 /nfs/dbraw/zinc/16/30/66/927163066.db2.gz JLHYCYPGARBCLL-NSHDSACASA-N 1 1 310.358 -1.737 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001423885325 927166816 /nfs/dbraw/zinc/16/68/16/927166816.db2.gz ONLDBBPTPMIXBD-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001423885327 927167004 /nfs/dbraw/zinc/16/70/04/927167004.db2.gz ONLDBBPTPMIXBD-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(Cn1cncn1)NCC1(O)C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001423908320 927171371 /nfs/dbraw/zinc/17/13/71/927171371.db2.gz SZSIEIDVXIALPL-GXTWGEPZSA-N 1 1 321.381 -1.132 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001423909247 927171892 /nfs/dbraw/zinc/17/18/92/927171892.db2.gz HLZKUVSEGNQLSN-LBPRGKRZSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)S(N)(=O)=O ZINC001423980994 927175768 /nfs/dbraw/zinc/17/57/68/927175768.db2.gz SPEFATLVDSXKPP-TUAOUCFPSA-N 1 1 319.427 -1.174 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001423979090 927176899 /nfs/dbraw/zinc/17/68/99/927176899.db2.gz GSSHRVOMJMYMIM-PHIMTYICSA-N 1 1 320.415 -1.923 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001423966354 927177096 /nfs/dbraw/zinc/17/70/96/927177096.db2.gz JNJXNHKBULTRIF-MNOVXSKESA-N 1 1 323.401 -1.080 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)C1=O ZINC001423999416 927179070 /nfs/dbraw/zinc/17/90/70/927179070.db2.gz XPCMLXGGFSPZPY-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)CCNC(N)=O)C[C@H]3C2)C1=O ZINC001423999413 927179316 /nfs/dbraw/zinc/17/93/16/927179316.db2.gz XPCMLXGGFSPZPY-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C1 ZINC001423985485 927180305 /nfs/dbraw/zinc/18/03/05/927180305.db2.gz NZQAFRJUBCWEMT-DTORHVGOSA-N 1 1 321.341 -1.736 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2C1 ZINC001423988388 927180530 /nfs/dbraw/zinc/18/05/30/927180530.db2.gz IRAXMZHXLZCSLW-PHIMTYICSA-N 1 1 324.381 -1.123 20 0 DAADMO CN(CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1)S(C)(=O)=O ZINC001424019264 927181450 /nfs/dbraw/zinc/18/14/50/927181450.db2.gz IQALHCJAYGVTKQ-LBPRGKRZSA-N 1 1 323.415 -2.187 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001424021158 927181633 /nfs/dbraw/zinc/18/16/33/927181633.db2.gz BIQYRQGLMOPTQZ-SWLSCSKDSA-N 1 1 312.414 -1.243 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001424019842 927182036 /nfs/dbraw/zinc/18/20/36/927182036.db2.gz KOCAANOLALRIRG-MRXNPFEDSA-N 1 1 324.425 -1.229 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1ccnc2n[nH]nc21 ZINC001424013966 927182282 /nfs/dbraw/zinc/18/22/82/927182282.db2.gz AVJUGYJAXXWMNZ-CQSZACIVSA-N 1 1 320.353 -1.098 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001424040404 927185322 /nfs/dbraw/zinc/18/53/22/927185322.db2.gz MDSDOVJSHSKNGN-UKRRQHHQSA-N 1 1 313.398 -1.067 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001424043089 927185471 /nfs/dbraw/zinc/18/54/71/927185471.db2.gz KFQRUKACUYINIX-SNVBAGLBSA-N 1 1 310.358 -1.584 20 0 DAADMO CC[C@H]([NH2+]CCN(CCO)C(=O)C1=NC(=O)N(C)C1)C(N)=O ZINC001424040300 927185505 /nfs/dbraw/zinc/18/55/05/927185505.db2.gz DRUAVRVTOGGMLR-VIFPVBQESA-N 1 1 313.358 -1.586 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CCc2nc[nH]n2)C1=O ZINC001424051042 927188849 /nfs/dbraw/zinc/18/88/49/927188849.db2.gz RZSNEPNWORVYNR-LLVKDONJSA-N 1 1 324.385 -1.622 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)CN1CCCC1 ZINC001424055180 927191947 /nfs/dbraw/zinc/19/19/47/927191947.db2.gz UPLIHPCIMQQXJU-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1ccnc1)c1nnnn1C ZINC001424076286 927193465 /nfs/dbraw/zinc/19/34/65/927193465.db2.gz QOYRSGAFXUKPSY-LLVKDONJSA-N 1 1 322.373 -1.422 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110740 927196338 /nfs/dbraw/zinc/19/63/38/927196338.db2.gz YWKGCBKNMDPWJX-WDEREUQCSA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110740 927196347 /nfs/dbraw/zinc/19/63/47/927196347.db2.gz YWKGCBKNMDPWJX-WDEREUQCSA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001424148560 927203267 /nfs/dbraw/zinc/20/32/67/927203267.db2.gz KIMBLGNGYHMOMU-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001424148566 927203363 /nfs/dbraw/zinc/20/33/63/927203363.db2.gz KIMBLGNGYHMOMU-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424148365 927204058 /nfs/dbraw/zinc/20/40/58/927204058.db2.gz JSEADBJWYZTSNN-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CC(=O)NCC1([NH2+]Cc2nnnn2C)CCC1)NC(N)=O ZINC001424163078 927204299 /nfs/dbraw/zinc/20/42/99/927204299.db2.gz HOOUOAZATQYRAI-SECBINFHSA-N 1 1 324.389 -1.215 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001424217878 927207886 /nfs/dbraw/zinc/20/78/86/927207886.db2.gz KIEDZISVTRINAI-SNVBAGLBSA-N 1 1 312.330 -1.684 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001424294642 927215977 /nfs/dbraw/zinc/21/59/77/927215977.db2.gz FBRPAPLBEZFOAT-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001424282639 927217901 /nfs/dbraw/zinc/21/79/01/927217901.db2.gz COZMDSUQXMNSSX-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO CCCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001424309836 927219127 /nfs/dbraw/zinc/21/91/27/927219127.db2.gz WNFVSWPQMGKGPH-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cn1ccnc1 ZINC001424338094 927221985 /nfs/dbraw/zinc/22/19/85/927221985.db2.gz DQXDIBULSNATCM-UHFFFAOYSA-N 1 1 310.358 -1.142 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)c1nccnc1C(N)=O ZINC001424331279 927222862 /nfs/dbraw/zinc/22/28/62/927222862.db2.gz KOLWRGCEUOOKBD-UHFFFAOYSA-N 1 1 308.342 -1.545 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccn(C)n2)C1 ZINC001424392384 927229961 /nfs/dbraw/zinc/22/99/61/927229961.db2.gz IUHIQNMKNXAONX-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCNC2=O)CCOCC1)c1ncn[nH]1 ZINC001424435604 927233551 /nfs/dbraw/zinc/23/35/51/927233551.db2.gz YPNQKOXBJBBCBT-SECBINFHSA-N 1 1 308.342 -1.438 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCNC2=O)CCOCC1)c1nc[nH]n1 ZINC001424435604 927233562 /nfs/dbraw/zinc/23/35/62/927233562.db2.gz YPNQKOXBJBBCBT-SECBINFHSA-N 1 1 308.342 -1.438 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001424464881 927234421 /nfs/dbraw/zinc/23/44/21/927234421.db2.gz WUXRMCDYOGVROB-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001424478347 927235861 /nfs/dbraw/zinc/23/58/61/927235861.db2.gz YNGNYTANHQTTHK-VHSXEESVSA-N 1 1 315.399 -1.172 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001424555357 927244988 /nfs/dbraw/zinc/24/49/88/927244988.db2.gz ZEWDKXTYBFPWTN-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001424555357 927245000 /nfs/dbraw/zinc/24/50/00/927245000.db2.gz ZEWDKXTYBFPWTN-RKDXNWHRSA-N 1 1 321.403 -2.505 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001424569684 927245884 /nfs/dbraw/zinc/24/58/84/927245884.db2.gz SZLYDGLIUMRNDS-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001424569684 927245899 /nfs/dbraw/zinc/24/58/99/927245899.db2.gz SZLYDGLIUMRNDS-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1cn[nH]c1 ZINC001424640654 927249253 /nfs/dbraw/zinc/24/92/53/927249253.db2.gz QNQCIXAUSPNNRW-NSHDSACASA-N 1 1 307.354 -1.145 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001424688015 927249942 /nfs/dbraw/zinc/24/99/42/927249942.db2.gz OJGXISWATNWVHC-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001424688015 927249953 /nfs/dbraw/zinc/24/99/53/927249953.db2.gz OJGXISWATNWVHC-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](OC)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001424662100 927250596 /nfs/dbraw/zinc/25/05/96/927250596.db2.gz QDWCVWSKDRVQLJ-MNOVXSKESA-N 1 1 317.386 -1.535 20 0 DAADMO COC[C@@H](OC)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001424662104 927250623 /nfs/dbraw/zinc/25/06/23/927250623.db2.gz QDWCVWSKDRVQLJ-WDEREUQCSA-N 1 1 317.386 -1.535 20 0 DAADMO CN1CCN(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001424657180 927251120 /nfs/dbraw/zinc/25/11/20/927251120.db2.gz SACZHIBXICKAMW-UHFFFAOYSA-N 1 1 319.431 -2.158 20 0 DAADMO CCS(=O)(=O)CC(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001424647862 927251769 /nfs/dbraw/zinc/25/17/69/927251769.db2.gz FYBIWBGHHGRZGI-LLVKDONJSA-N 1 1 322.427 -1.255 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ccn(C)n2)CC1 ZINC001424647920 927251792 /nfs/dbraw/zinc/25/17/92/927251792.db2.gz LCTZVZVFYYGYNO-SNVBAGLBSA-N 1 1 309.370 -1.149 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001424710026 927252645 /nfs/dbraw/zinc/25/26/45/927252645.db2.gz IVIMRPCQMOFAPX-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001424710026 927252652 /nfs/dbraw/zinc/25/26/52/927252652.db2.gz IVIMRPCQMOFAPX-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001424692004 927252926 /nfs/dbraw/zinc/25/29/26/927252926.db2.gz BODZXHFKKRKOIH-UHFFFAOYSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827099 927257555 /nfs/dbraw/zinc/25/75/55/927257555.db2.gz IZJKDQDJSMPGFB-DTWKUNHWSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001424827099 927257567 /nfs/dbraw/zinc/25/75/67/927257567.db2.gz IZJKDQDJSMPGFB-DTWKUNHWSA-N 1 1 318.403 -1.208 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001424778787 927257898 /nfs/dbraw/zinc/25/78/98/927257898.db2.gz NENGVMFKFZALNL-BDAKNGLRSA-N 1 1 324.389 -1.080 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)[NH2+]Cc1cnon1 ZINC001424780849 927258013 /nfs/dbraw/zinc/25/80/13/927258013.db2.gz CKKFERYTCFLFHM-WDEREUQCSA-N 1 1 324.385 -1.174 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001424777943 927258338 /nfs/dbraw/zinc/25/83/38/927258338.db2.gz LTJXCKFMDRDYGL-BDAKNGLRSA-N 1 1 320.357 -1.400 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001424778799 927258620 /nfs/dbraw/zinc/25/86/20/927258620.db2.gz NENGVMFKFZALNL-RKDXNWHRSA-N 1 1 324.389 -1.080 20 0 DAADMO C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H](C)NC(=O)c1ncn[nH]1 ZINC001424827097 927259359 /nfs/dbraw/zinc/25/93/59/927259359.db2.gz IZJKDQDJSMPGFB-BDAKNGLRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001424827097 927259365 /nfs/dbraw/zinc/25/93/65/927259365.db2.gz IZJKDQDJSMPGFB-BDAKNGLRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001424865419 927260895 /nfs/dbraw/zinc/26/08/95/927260895.db2.gz ZMABVTOWTKIGPB-RKDXNWHRSA-N 1 1 320.357 -1.400 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(=O)NC ZINC001424920919 927261929 /nfs/dbraw/zinc/26/19/29/927261929.db2.gz JMOWCDPJYRYRBM-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(=O)NC ZINC001424920919 927261940 /nfs/dbraw/zinc/26/19/40/927261940.db2.gz JMOWCDPJYRYRBM-VIFPVBQESA-N 1 1 315.374 -1.595 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001424903128 927262424 /nfs/dbraw/zinc/26/24/24/927262424.db2.gz UFARQWCHQXGGLK-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001424903128 927262440 /nfs/dbraw/zinc/26/24/40/927262440.db2.gz UFARQWCHQXGGLK-MRVPVSSYSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@H+](C)CC(=O)NC(N)=O ZINC001424943870 927263854 /nfs/dbraw/zinc/26/38/54/927263854.db2.gz UTLUVUYUROIPOJ-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001424943870 927263884 /nfs/dbraw/zinc/26/38/84/927263884.db2.gz UTLUVUYUROIPOJ-UWVGGRQHSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001424924255 927264795 /nfs/dbraw/zinc/26/47/95/927264795.db2.gz ZBIVSQYLBRNGEM-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001424926891 927265030 /nfs/dbraw/zinc/26/50/30/927265030.db2.gz GGWZGWSATNYEHL-JGVFFNPUSA-N 1 1 311.346 -1.551 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001424952994 927265746 /nfs/dbraw/zinc/26/57/46/927265746.db2.gz WGLNJPNVCAPPKL-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001424952994 927265757 /nfs/dbraw/zinc/26/57/57/927265757.db2.gz WGLNJPNVCAPPKL-DTWKUNHWSA-N 1 1 315.374 -1.468 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001424980965 927267105 /nfs/dbraw/zinc/26/71/05/927267105.db2.gz ZEVFQLBLZOKKOY-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001424980965 927267118 /nfs/dbraw/zinc/26/71/18/927267118.db2.gz ZEVFQLBLZOKKOY-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001425018224 927269903 /nfs/dbraw/zinc/26/99/03/927269903.db2.gz IMXOIUFYVQEDAB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001425018224 927269916 /nfs/dbraw/zinc/26/99/16/927269916.db2.gz IMXOIUFYVQEDAB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425004125 927270039 /nfs/dbraw/zinc/27/00/39/927270039.db2.gz UTXBIJFVIKTPLM-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001425004125 927270050 /nfs/dbraw/zinc/27/00/50/927270050.db2.gz UTXBIJFVIKTPLM-MNOVXSKESA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001425004716 927270314 /nfs/dbraw/zinc/27/03/14/927270314.db2.gz YXZJHAWRRKVZLU-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001425004716 927270320 /nfs/dbraw/zinc/27/03/20/927270320.db2.gz YXZJHAWRRKVZLU-KOLCDFICSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002546 927270421 /nfs/dbraw/zinc/27/04/21/927270421.db2.gz RMUZDSBPHAZPML-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001425002546 927270430 /nfs/dbraw/zinc/27/04/30/927270430.db2.gz RMUZDSBPHAZPML-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCOC1 ZINC001425003337 927272305 /nfs/dbraw/zinc/27/23/05/927272305.db2.gz YGOAPGVOHBGZQC-MNOVXSKESA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001425056559 927273460 /nfs/dbraw/zinc/27/34/60/927273460.db2.gz HHXHKAFRWBPLHI-OLZOCXBDSA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001425061476 927274293 /nfs/dbraw/zinc/27/42/93/927274293.db2.gz XVNTXYQLSJTDJX-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCn1cnccc1=O ZINC001425045782 927274840 /nfs/dbraw/zinc/27/48/40/927274840.db2.gz YIWJSLQMAWLHSO-LLVKDONJSA-N 1 1 309.370 -1.184 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cnccc1=O ZINC001425045782 927274853 /nfs/dbraw/zinc/27/48/53/927274853.db2.gz YIWJSLQMAWLHSO-LLVKDONJSA-N 1 1 309.370 -1.184 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@H+](C)[C@H](C)C(N)=O ZINC001425033734 927275067 /nfs/dbraw/zinc/27/50/67/927275067.db2.gz UFOFYBFRAVZHRV-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[N@@H+](C)[C@H](C)C(N)=O ZINC001425033734 927275072 /nfs/dbraw/zinc/27/50/72/927275072.db2.gz UFOFYBFRAVZHRV-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001425035190 927275110 /nfs/dbraw/zinc/27/51/10/927275110.db2.gz KMRLVPGAWSWITH-HTQZYQBOSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001425029332 927275221 /nfs/dbraw/zinc/27/52/21/927275221.db2.gz LMTKPKXNCIPNFJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001425029340 927275459 /nfs/dbraw/zinc/27/54/59/927275459.db2.gz LMTKPKXNCIPNFJ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049041 927275498 /nfs/dbraw/zinc/27/54/98/927275498.db2.gz WOYYKABFJLTJSS-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425049041 927275511 /nfs/dbraw/zinc/27/55/11/927275511.db2.gz WOYYKABFJLTJSS-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001425061462 927275533 /nfs/dbraw/zinc/27/55/33/927275533.db2.gz XVNTXYQLSJTDJX-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001425056563 927275860 /nfs/dbraw/zinc/27/58/60/927275860.db2.gz HHXHKAFRWBPLHI-QWHCGFSZSA-N 1 1 321.385 -1.028 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001425067947 927276844 /nfs/dbraw/zinc/27/68/44/927276844.db2.gz HJYWSTMDRPFIKD-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001425067947 927276859 /nfs/dbraw/zinc/27/68/59/927276859.db2.gz HJYWSTMDRPFIKD-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1(CCO)C[NH+](CC(C)C)C1 ZINC001425109231 927284904 /nfs/dbraw/zinc/28/49/04/927284904.db2.gz IKOOSPMRPDTZEH-UHFFFAOYSA-N 1 1 322.431 -1.751 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCOC)C2)C1 ZINC001425133922 927285795 /nfs/dbraw/zinc/28/57/95/927285795.db2.gz FPOPOVRYCSSGRP-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCOC)C2)C1 ZINC001425133922 927285805 /nfs/dbraw/zinc/28/58/05/927285805.db2.gz FPOPOVRYCSSGRP-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCOC)C2)C1 ZINC001425133923 927286765 /nfs/dbraw/zinc/28/67/65/927286765.db2.gz FPOPOVRYCSSGRP-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCOC)C2)C1 ZINC001425133923 927286775 /nfs/dbraw/zinc/28/67/75/927286775.db2.gz FPOPOVRYCSSGRP-ZDUSSCGKSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)NC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001425247183 927292533 /nfs/dbraw/zinc/29/25/33/927292533.db2.gz WJVSJXBMMAFAPP-GXSJLCMTSA-N 1 1 311.386 -1.371 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001425229137 927293901 /nfs/dbraw/zinc/29/39/01/927293901.db2.gz LXJWAXDSVHNCJV-GXSJLCMTSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001425229143 927294322 /nfs/dbraw/zinc/29/43/22/927294322.db2.gz LXJWAXDSVHNCJV-ONGXEEELSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001425229140 927294392 /nfs/dbraw/zinc/29/43/92/927294392.db2.gz LXJWAXDSVHNCJV-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001425252746 927294962 /nfs/dbraw/zinc/29/49/62/927294962.db2.gz LHRGDVZVVIOLRE-KOLCDFICSA-N 1 1 309.374 -1.236 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnccn1 ZINC001425269045 927298162 /nfs/dbraw/zinc/29/81/62/927298162.db2.gz FBTVJYWSGBWSDN-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001425287637 927302923 /nfs/dbraw/zinc/30/29/23/927302923.db2.gz YSGQPEINKOMYRO-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001425313476 927314495 /nfs/dbraw/zinc/31/44/95/927314495.db2.gz YXAHVFSUMOBYMG-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3=COCCO3)[C@@H]2C1 ZINC001425313054 927314671 /nfs/dbraw/zinc/31/46/71/927314671.db2.gz AXYNKFVCVHBVAX-OWUUHHOZSA-N 1 1 324.337 -1.637 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1=O ZINC001425311359 927315584 /nfs/dbraw/zinc/31/55/84/927315584.db2.gz DCIGGYRKNVWDKO-ZSOGYDGISA-N 1 1 324.425 -1.563 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001425315949 927316358 /nfs/dbraw/zinc/31/63/58/927316358.db2.gz ALTZDCPPOFTGGN-LPWJVIDDSA-N 1 1 313.398 -1.186 20 0 DAADMO CC[C@@H](OC)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001425322047 927316587 /nfs/dbraw/zinc/31/65/87/927316587.db2.gz NMHHCSPUVYNYPM-CHWFTXMASA-N 1 1 312.370 -1.100 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001425324762 927318292 /nfs/dbraw/zinc/31/82/92/927318292.db2.gz KOMFRYCSFKIBIR-CNDDSTCGSA-N 1 1 321.385 -1.462 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001425324762 927318299 /nfs/dbraw/zinc/31/82/99/927318299.db2.gz KOMFRYCSFKIBIR-CNDDSTCGSA-N 1 1 321.385 -1.462 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425325209 927318663 /nfs/dbraw/zinc/31/86/63/927318663.db2.gz GSJOYUYTMFXABU-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425325209 927318677 /nfs/dbraw/zinc/31/86/77/927318677.db2.gz GSJOYUYTMFXABU-YPMHNXCESA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1nnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001425325988 927318879 /nfs/dbraw/zinc/31/88/79/927318879.db2.gz JQCLGKVBBZPOJV-IUCAKERBSA-N 1 1 311.346 -2.489 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425325202 927319419 /nfs/dbraw/zinc/31/94/19/927319419.db2.gz GSJOYUYTMFXABU-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425325202 927319429 /nfs/dbraw/zinc/31/94/29/927319429.db2.gz GSJOYUYTMFXABU-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001425324794 927319584 /nfs/dbraw/zinc/31/95/84/927319584.db2.gz CMMQBMFZNZYZKE-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001425334936 927320804 /nfs/dbraw/zinc/32/08/04/927320804.db2.gz VNTCNXMUTQNABX-FIQHERPVSA-N 1 1 319.427 -1.447 20 0 DAADMO Cc1cncn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425331799 927320874 /nfs/dbraw/zinc/32/08/74/927320874.db2.gz UKKLEQMOQVJWOB-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425332347 927321022 /nfs/dbraw/zinc/32/10/22/927321022.db2.gz VXSSVGPRPNIKMA-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cncn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425331805 927321059 /nfs/dbraw/zinc/32/10/59/927321059.db2.gz UKKLEQMOQVJWOB-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425331959 927321556 /nfs/dbraw/zinc/32/15/56/927321556.db2.gz UWLUXBXFHURCLH-UWVGGRQHSA-N 1 1 315.374 -2.397 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001425330156 927322440 /nfs/dbraw/zinc/32/24/40/927322440.db2.gz RAIBBMSXGXPWOS-RVMXOQNASA-N 1 1 308.382 -1.353 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425332351 927322571 /nfs/dbraw/zinc/32/25/71/927322571.db2.gz VXSSVGPRPNIKMA-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(=O)[nH]n1 ZINC001425337194 927323709 /nfs/dbraw/zinc/32/37/09/927323709.db2.gz RNCORSAHIYFNIN-KOLCDFICSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2ccon2)C1 ZINC001425349339 927327436 /nfs/dbraw/zinc/32/74/36/927327436.db2.gz HLFPKILSUHORMH-CMPLNLGQSA-N 1 1 310.354 -1.238 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2ccon2)C1 ZINC001425349375 927327482 /nfs/dbraw/zinc/32/74/82/927327482.db2.gz HLFPKILSUHORMH-PWSUYJOCSA-N 1 1 310.354 -1.238 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348814 927328134 /nfs/dbraw/zinc/32/81/34/927328134.db2.gz LRFZYOOHCSOITL-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425348814 927328150 /nfs/dbraw/zinc/32/81/50/927328150.db2.gz LRFZYOOHCSOITL-MNOVXSKESA-N 1 1 317.386 -1.929 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425356175 927329912 /nfs/dbraw/zinc/32/99/12/927329912.db2.gz YAQOAMQSSHUROP-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425356175 927329924 /nfs/dbraw/zinc/32/99/24/927329924.db2.gz YAQOAMQSSHUROP-RYUDHWBXSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425356178 927330379 /nfs/dbraw/zinc/33/03/79/927330379.db2.gz YAQOAMQSSHUROP-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425356178 927330391 /nfs/dbraw/zinc/33/03/91/927330391.db2.gz YAQOAMQSSHUROP-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425356170 927330941 /nfs/dbraw/zinc/33/09/41/927330941.db2.gz YAQOAMQSSHUROP-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425356170 927330960 /nfs/dbraw/zinc/33/09/60/927330960.db2.gz YAQOAMQSSHUROP-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425362404 927334630 /nfs/dbraw/zinc/33/46/30/927334630.db2.gz QVJITRAJXUWNEE-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC2(O)CCC2)C1 ZINC001425369361 927338411 /nfs/dbraw/zinc/33/84/11/927338411.db2.gz KPACBYNZNXDDIB-VXGBXAGGSA-N 1 1 313.398 -1.164 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC001425372776 927339680 /nfs/dbraw/zinc/33/96/80/927339680.db2.gz FDXLGPREYDWWKV-NSHDSACASA-N 1 1 323.397 -1.142 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)CC2(O)CCC2)C1 ZINC001425369358 927339947 /nfs/dbraw/zinc/33/99/47/927339947.db2.gz KPACBYNZNXDDIB-RYUDHWBXSA-N 1 1 313.398 -1.164 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001425370215 927340161 /nfs/dbraw/zinc/34/01/61/927340161.db2.gz ZRRBFVXXBFPAOU-ROHXPCBUSA-N 1 1 308.382 -1.462 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001425369831 927340212 /nfs/dbraw/zinc/34/02/12/927340212.db2.gz QTDHKNIVMDQDFP-DBIOUOCHSA-N 1 1 305.400 -1.790 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCCC(N)=O)C1 ZINC001425387467 927340629 /nfs/dbraw/zinc/34/06/29/927340629.db2.gz BGSZJACOFCOUDY-WDEREUQCSA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2ncc[nH]2)C1 ZINC001425387950 927341242 /nfs/dbraw/zinc/34/12/42/927341242.db2.gz COPLDVWNGPVLNM-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCc2ncc[nH]2)C1 ZINC001425387945 927341818 /nfs/dbraw/zinc/34/18/18/927341818.db2.gz COPLDVWNGPVLNM-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001425388583 927344175 /nfs/dbraw/zinc/34/41/75/927344175.db2.gz DCFDNUVAIDCVQA-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1N ZINC001425391292 927345150 /nfs/dbraw/zinc/34/51/50/927345150.db2.gz JNWMZMGZILIBEU-VHSXEESVSA-N 1 1 324.385 -1.839 20 0 DAADMO Cc1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC001425400619 927348282 /nfs/dbraw/zinc/34/82/82/927348282.db2.gz YGEKAYXHAHRXCQ-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC001425418404 927352371 /nfs/dbraw/zinc/35/23/71/927352371.db2.gz VZAWLGLQWLZAIM-QWRGUYRKSA-N 1 1 314.386 -1.802 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001425425211 927355308 /nfs/dbraw/zinc/35/53/08/927355308.db2.gz KDYWPPNMMNFOHG-GFCCVEGCSA-N 1 1 312.374 -1.397 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001425426440 927355875 /nfs/dbraw/zinc/35/58/75/927355875.db2.gz LLUZDQUZJFXHAS-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001425428359 927356274 /nfs/dbraw/zinc/35/62/74/927356274.db2.gz KXWWJMNCDXSWGB-UHFFFAOYSA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001425428359 927356283 /nfs/dbraw/zinc/35/62/83/927356283.db2.gz KXWWJMNCDXSWGB-UHFFFAOYSA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001425428359 927356296 /nfs/dbraw/zinc/35/62/96/927356296.db2.gz KXWWJMNCDXSWGB-UHFFFAOYSA-N 1 1 323.357 -1.156 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C1CCN(C(=O)c2cnon2)CC1 ZINC001425434257 927358502 /nfs/dbraw/zinc/35/85/02/927358502.db2.gz BADLGRMSBXHHCU-UHFFFAOYSA-N 1 1 310.314 -1.199 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001425437560 927358751 /nfs/dbraw/zinc/35/87/51/927358751.db2.gz CWBILDONXVOXTR-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cncn1C ZINC001425432808 927359254 /nfs/dbraw/zinc/35/92/54/927359254.db2.gz PPNLLWZDNKOPKS-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ccnn1C ZINC001425442182 927360316 /nfs/dbraw/zinc/36/03/16/927360316.db2.gz FYBAMMWCQFBBNJ-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)COCC(F)F)C1 ZINC001425438519 927361568 /nfs/dbraw/zinc/36/15/68/927361568.db2.gz CDULQBAGAPAZIW-ZJUUUORDSA-N 1 1 323.340 -1.187 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCO1 ZINC001425445904 927363145 /nfs/dbraw/zinc/36/31/45/927363145.db2.gz MUMWSMSBVAULHE-VXGBXAGGSA-N 1 1 310.354 -1.036 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CNC(=O)N1 ZINC001425456341 927364981 /nfs/dbraw/zinc/36/49/81/927364981.db2.gz ZIRSWCXIGSTKHD-NXEZZACHSA-N 1 1 324.341 -2.534 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CNC(=O)N1 ZINC001425456380 927365561 /nfs/dbraw/zinc/36/55/61/927365561.db2.gz ZIRSWCXIGSTKHD-UWVGGRQHSA-N 1 1 324.341 -2.534 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425476212 927373977 /nfs/dbraw/zinc/37/39/77/927373977.db2.gz GKDKLWZIGDXZMF-ZJUUUORDSA-N 1 1 323.357 -1.355 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490463 927379472 /nfs/dbraw/zinc/37/94/72/927379472.db2.gz LXNXOZKIZGABTI-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490463 927379487 /nfs/dbraw/zinc/37/94/87/927379487.db2.gz LXNXOZKIZGABTI-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001425521613 927386610 /nfs/dbraw/zinc/38/66/10/927386610.db2.gz LAPXAJGDYMMENU-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425524755 927387715 /nfs/dbraw/zinc/38/77/15/927387715.db2.gz DPFZAURFACZECW-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425524755 927387724 /nfs/dbraw/zinc/38/77/24/927387724.db2.gz DPFZAURFACZECW-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425524755 927387735 /nfs/dbraw/zinc/38/77/35/927387735.db2.gz DPFZAURFACZECW-SNVBAGLBSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001425537924 927390923 /nfs/dbraw/zinc/39/09/23/927390923.db2.gz YYKASWGZXLOIAO-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537924 927390933 /nfs/dbraw/zinc/39/09/33/927390933.db2.gz YYKASWGZXLOIAO-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001425537924 927390942 /nfs/dbraw/zinc/39/09/42/927390942.db2.gz YYKASWGZXLOIAO-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001425600343 927397293 /nfs/dbraw/zinc/39/72/93/927397293.db2.gz VJRCSSBDKLFYAQ-NXEZZACHSA-N 1 1 309.374 -1.185 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001425707887 927403869 /nfs/dbraw/zinc/40/38/69/927403869.db2.gz HCXNXLBFCRBPCF-NSHDSACASA-N 1 1 313.358 -1.349 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cnnn2)nn1C ZINC001425714392 927405876 /nfs/dbraw/zinc/40/58/76/927405876.db2.gz PODFSZKUVRMSPB-NSHDSACASA-N 1 1 308.346 -2.018 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425712514 927406982 /nfs/dbraw/zinc/40/69/82/927406982.db2.gz LCAXFEWTJSEDPS-RYUDHWBXSA-N 1 1 300.403 -1.328 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnns2)C1 ZINC001425723993 927408598 /nfs/dbraw/zinc/40/85/98/927408598.db2.gz AHTNFRURUXLNLL-GXSJLCMTSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NCc2cnns2)C1 ZINC001425723993 927408601 /nfs/dbraw/zinc/40/86/01/927408601.db2.gz AHTNFRURUXLNLL-GXSJLCMTSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnns2)C1 ZINC001425724002 927409173 /nfs/dbraw/zinc/40/91/73/927409173.db2.gz AHTNFRURUXLNLL-ONGXEEELSA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NCc2cnns2)C1 ZINC001425724002 927409178 /nfs/dbraw/zinc/40/91/78/927409178.db2.gz AHTNFRURUXLNLL-ONGXEEELSA-N 1 1 315.399 -1.565 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1cnccn1 ZINC001425720505 927409487 /nfs/dbraw/zinc/40/94/87/927409487.db2.gz IIQQROQJODJHCE-ZJUUUORDSA-N 1 1 311.342 -1.483 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001425729734 927411431 /nfs/dbraw/zinc/41/14/31/927411431.db2.gz IIQAXMXKACKDBL-YPMHNXCESA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001425729679 927411842 /nfs/dbraw/zinc/41/18/42/927411842.db2.gz IFONUFQAGJVUSK-VXGBXAGGSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001425729679 927411850 /nfs/dbraw/zinc/41/18/50/927411850.db2.gz IFONUFQAGJVUSK-VXGBXAGGSA-N 1 1 312.374 -2.288 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)n[nH]1 ZINC001425735694 927413871 /nfs/dbraw/zinc/41/38/71/927413871.db2.gz AAJZXKODMYHPMR-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2)Nc1ccon1 ZINC001425737984 927416915 /nfs/dbraw/zinc/41/69/15/927416915.db2.gz CJAYCNPLSRDQIN-RBZYPMLTSA-N 1 1 324.337 -1.284 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001425742790 927418332 /nfs/dbraw/zinc/41/83/32/927418332.db2.gz XKQLUPDDMZHVKE-LBPRGKRZSA-N 1 1 311.386 -1.681 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)[nH]n1 ZINC001425745089 927418398 /nfs/dbraw/zinc/41/83/98/927418398.db2.gz WYEVCMZABHPLPK-JTQLQIEISA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)CN1CCOCC1 ZINC001425741836 927419979 /nfs/dbraw/zinc/41/99/79/927419979.db2.gz WELRQFBXCPPSQJ-ZDUSSCGKSA-N 1 1 312.370 -1.118 20 0 DAADMO Cn1nccc1C[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001425747559 927421888 /nfs/dbraw/zinc/42/18/88/927421888.db2.gz ZUXYXTXRBROEBH-JTQLQIEISA-N 1 1 316.383 -1.969 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001425748971 927422720 /nfs/dbraw/zinc/42/27/20/927422720.db2.gz BVFHOKHUMSSHSL-WDEREUQCSA-N 1 1 320.357 -1.401 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001425750629 927424265 /nfs/dbraw/zinc/42/42/65/927424265.db2.gz GVKRRLZZRLAMRG-BDAKNGLRSA-N 1 1 313.383 -1.369 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCC2 ZINC001425754778 927426946 /nfs/dbraw/zinc/42/69/46/927426946.db2.gz IOLHCTQFVCYNKU-JTQLQIEISA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001425759389 927430026 /nfs/dbraw/zinc/43/00/26/927430026.db2.gz MUKQMOUHGKKBKP-LLVKDONJSA-N 1 1 321.385 -1.252 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425760350 927430706 /nfs/dbraw/zinc/43/07/06/927430706.db2.gz KZUUJHCYFVVOLW-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425760350 927430712 /nfs/dbraw/zinc/43/07/12/927430712.db2.gz KZUUJHCYFVVOLW-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO O=C(CN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CC1 ZINC001425762419 927432229 /nfs/dbraw/zinc/43/22/29/927432229.db2.gz WKZYNKICPFPTOI-KGLIPLIRSA-N 1 1 324.425 -1.327 20 0 DAADMO O=C(NC[C@@H](CO)N[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001425764187 927433750 /nfs/dbraw/zinc/43/37/50/927433750.db2.gz BIKATFUBJDUFGV-STQMWFEESA-N 1 1 324.425 -1.182 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001425766516 927434875 /nfs/dbraw/zinc/43/48/75/927434875.db2.gz QQVLHLAILAVTQK-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001425766516 927434881 /nfs/dbraw/zinc/43/48/81/927434881.db2.gz QQVLHLAILAVTQK-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425768176 927435816 /nfs/dbraw/zinc/43/58/16/927435816.db2.gz CBVAPRFVDJCFFU-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001425768567 927435924 /nfs/dbraw/zinc/43/59/24/927435924.db2.gz YTLBDPBYNREBMD-LLVKDONJSA-N 1 1 310.358 -1.719 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001425768568 927436069 /nfs/dbraw/zinc/43/60/69/927436069.db2.gz YTLBDPBYNREBMD-NSHDSACASA-N 1 1 310.358 -1.719 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425768170 927436386 /nfs/dbraw/zinc/43/63/86/927436386.db2.gz CBVAPRFVDJCFFU-QWRGUYRKSA-N 1 1 324.385 -1.244 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001425782215 927442585 /nfs/dbraw/zinc/44/25/85/927442585.db2.gz RHOATZKOBFAUAS-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001425781966 927442644 /nfs/dbraw/zinc/44/26/44/927442644.db2.gz KJWFKLKRHANDIS-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001425781972 927443086 /nfs/dbraw/zinc/44/30/86/927443086.db2.gz KJWFKLKRHANDIS-MNOVXSKESA-N 1 1 324.385 -1.609 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425779571 927443327 /nfs/dbraw/zinc/44/33/27/927443327.db2.gz RGEFFOMHZFNACI-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)Cn2ncn(C)c2=O)o1 ZINC001425785666 927445116 /nfs/dbraw/zinc/44/51/16/927445116.db2.gz NJMBTJRFHCZSEV-JTQLQIEISA-N 1 1 324.341 -1.855 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncn(C)c2=O)o1 ZINC001425785670 927445893 /nfs/dbraw/zinc/44/58/93/927445893.db2.gz NJMBTJRFHCZSEV-SNVBAGLBSA-N 1 1 324.341 -1.855 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)c1 ZINC001425790110 927448037 /nfs/dbraw/zinc/44/80/37/927448037.db2.gz CVGJBLQAKBENBP-JQWIXIFHSA-N 1 1 323.353 -1.662 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)c1c[nH]c(=O)cn1 ZINC001425794561 927450734 /nfs/dbraw/zinc/45/07/34/927450734.db2.gz IMMDGKSMCGRWMR-ZETCQYMHSA-N 1 1 310.339 -1.498 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccn(C)n1 ZINC001425798313 927454023 /nfs/dbraw/zinc/45/40/23/927454023.db2.gz NBUXABICHFWBDO-RYUDHWBXSA-N 1 1 323.397 -1.079 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001425807818 927455915 /nfs/dbraw/zinc/45/59/15/927455915.db2.gz AOQRQEOXSHYPBP-WDEREUQCSA-N 1 1 309.370 -1.345 20 0 DAADMO CC[C@H](N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001425809428 927458657 /nfs/dbraw/zinc/45/86/57/927458657.db2.gz QURJATIIVSSWBF-NEPJUHHUSA-N 1 1 300.403 -1.341 20 0 DAADMO Cc1nonc1CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425818924 927463367 /nfs/dbraw/zinc/46/33/67/927463367.db2.gz HPIRSMNLAXBSOX-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001425832465 927467335 /nfs/dbraw/zinc/46/73/35/927467335.db2.gz ANCVSBFYXVORJY-NEPJUHHUSA-N 1 1 322.365 -1.065 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cncn1C ZINC001425833108 927467945 /nfs/dbraw/zinc/46/79/45/927467945.db2.gz QIGDSCCKAQCKGP-NWDGAFQWSA-N 1 1 323.397 -1.079 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)n1 ZINC001425840340 927470075 /nfs/dbraw/zinc/47/00/75/927470075.db2.gz NWCKLZBLGOJUSN-FZMZJTMJSA-N 1 1 323.401 -1.737 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cn1cncn1 ZINC001425837827 927470492 /nfs/dbraw/zinc/47/04/92/927470492.db2.gz PUMFRNUNHWOGKF-LLVKDONJSA-N 1 1 322.373 -1.535 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001425840725 927471023 /nfs/dbraw/zinc/47/10/23/927471023.db2.gz VJHOSMLSLZGMIO-NSHDSACASA-N 1 1 319.365 -1.001 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001425840571 927471173 /nfs/dbraw/zinc/47/11/73/927471173.db2.gz MWWMHZWIOGRGKO-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001425840571 927471177 /nfs/dbraw/zinc/47/11/77/927471177.db2.gz MWWMHZWIOGRGKO-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCN(C)C1=O ZINC001425840571 927471187 /nfs/dbraw/zinc/47/11/87/927471187.db2.gz MWWMHZWIOGRGKO-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO Cn1nnnc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425839611 927471862 /nfs/dbraw/zinc/47/18/62/927471862.db2.gz UPRDTTXLYXWPNC-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001425846209 927474204 /nfs/dbraw/zinc/47/42/04/927474204.db2.gz BBDXTBJXVSUKCO-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCn1nncc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425848337 927476032 /nfs/dbraw/zinc/47/60/32/927476032.db2.gz ZXTHZRBUTQFEOQ-RYUDHWBXSA-N 1 1 310.402 -1.184 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001425853111 927478649 /nfs/dbraw/zinc/47/86/49/927478649.db2.gz MUYXMOPQIHKOGD-SNVBAGLBSA-N 1 1 320.353 -1.272 20 0 DAADMO C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)c1cnn(C)c1 ZINC001425851153 927479085 /nfs/dbraw/zinc/47/90/85/927479085.db2.gz SCWNPMMZODPFPH-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@@H]1C ZINC001425922831 927489078 /nfs/dbraw/zinc/48/90/78/927489078.db2.gz PDTTWHAVLKFGSD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001425908156 927489270 /nfs/dbraw/zinc/48/92/70/927489270.db2.gz CMDNZLVWTMATGD-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001425908156 927489277 /nfs/dbraw/zinc/48/92/77/927489277.db2.gz CMDNZLVWTMATGD-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCO)[C@H]1C ZINC001425924009 927492501 /nfs/dbraw/zinc/49/25/01/927492501.db2.gz GJAVMSJRRLMRAE-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001425979181 927494993 /nfs/dbraw/zinc/49/49/93/927494993.db2.gz KIGDOGHLIYMIJZ-UHFFFAOYSA-N 1 1 311.342 -1.621 20 0 DAADMO CN(C[C@H](O)CNCc1ncnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425978314 927495357 /nfs/dbraw/zinc/49/53/57/927495357.db2.gz CZCIXZPFDFITGY-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2cnnn2)no1 ZINC001425979639 927495456 /nfs/dbraw/zinc/49/54/56/927495456.db2.gz HZJSGXXNJACTJE-NSHDSACASA-N 1 1 309.330 -1.421 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001425991482 927497624 /nfs/dbraw/zinc/49/76/24/927497624.db2.gz VOYHUCDXFQOABZ-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccc(=O)[nH]n1 ZINC001425989553 927497709 /nfs/dbraw/zinc/49/77/09/927497709.db2.gz ZTTZTAKIMBGJLA-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001426002215 927500129 /nfs/dbraw/zinc/50/01/29/927500129.db2.gz FVOHKJWCELJTIN-JTQLQIEISA-N 1 1 309.330 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001426006808 927500416 /nfs/dbraw/zinc/50/04/16/927500416.db2.gz OJVLFDGYDVQGOQ-SECBINFHSA-N 1 1 313.362 -2.347 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C)n1cncn1 ZINC001426000009 927500608 /nfs/dbraw/zinc/50/06/08/927500608.db2.gz MQZREKKXHNQNJF-QWRGUYRKSA-N 1 1 322.373 -1.423 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CCn1ccnn1 ZINC001426005260 927500640 /nfs/dbraw/zinc/50/06/40/927500640.db2.gz KZEQWJTWBIKKNJ-GFCCVEGCSA-N 1 1 322.373 -1.594 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001426011385 927502816 /nfs/dbraw/zinc/50/28/16/927502816.db2.gz VBYBGMHWEGOLOI-SNVBAGLBSA-N 1 1 310.358 -1.686 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CNC(=O)N1 ZINC001426019733 927504689 /nfs/dbraw/zinc/50/46/89/927504689.db2.gz BHFFBYXNRLMYMY-UWVGGRQHSA-N 1 1 308.342 -1.933 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001426017855 927505199 /nfs/dbraw/zinc/50/51/99/927505199.db2.gz ZQQQJZCXNIXGDS-SCZZXKLOSA-N 1 1 313.314 -1.605 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnnn2C)[nH]1 ZINC001426013723 927505525 /nfs/dbraw/zinc/50/55/25/927505525.db2.gz UWHZAFFRYHJZBF-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001426017848 927505679 /nfs/dbraw/zinc/50/56/79/927505679.db2.gz ZQQQJZCXNIXGDS-PSASIEDQSA-N 1 1 313.314 -1.605 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001426019734 927506136 /nfs/dbraw/zinc/50/61/36/927506136.db2.gz BHFFBYXNRLMYMY-VHSXEESVSA-N 1 1 308.342 -1.933 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)c1nnnn1C ZINC001426026117 927508210 /nfs/dbraw/zinc/50/82/10/927508210.db2.gz NRTBWADBGOWEEC-VHSXEESVSA-N 1 1 322.373 -1.354 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCCC(=O)N2)[nH]1 ZINC001426024784 927509546 /nfs/dbraw/zinc/50/95/46/927509546.db2.gz XCPCKHOWNVLUNH-GHMZBOCLSA-N 1 1 324.385 -1.309 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001426033179 927511188 /nfs/dbraw/zinc/51/11/88/927511188.db2.gz MMUYNHCJDMMWBV-JTQLQIEISA-N 1 1 322.373 -1.053 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC(=O)N1 ZINC001426030471 927512225 /nfs/dbraw/zinc/51/22/25/927512225.db2.gz LADUFFZBUCTWNK-QWRGUYRKSA-N 1 1 307.354 -1.336 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001426027624 927512242 /nfs/dbraw/zinc/51/22/42/927512242.db2.gz CTXKPHWNQWAHLZ-CYBMUJFWSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1ccnn1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001426037263 927515043 /nfs/dbraw/zinc/51/50/43/927515043.db2.gz RJCXDLIDNADDNB-NSHDSACASA-N 1 1 322.373 -1.676 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001426046424 927516957 /nfs/dbraw/zinc/51/69/57/927516957.db2.gz PVANOWYISWWYMX-HLTSFMKQSA-N 1 1 313.383 -1.432 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001426053036 927517740 /nfs/dbraw/zinc/51/77/40/927517740.db2.gz MSUOTEOHOGCNMZ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1 ZINC001426053040 927518563 /nfs/dbraw/zinc/51/85/63/927518563.db2.gz MSUOTEOHOGCNMZ-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001426053133 927518737 /nfs/dbraw/zinc/51/87/37/927518737.db2.gz BIYVRCZREMGLHQ-JTQLQIEISA-N 1 1 324.385 -1.488 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001426053133 927518752 /nfs/dbraw/zinc/51/87/52/927518752.db2.gz BIYVRCZREMGLHQ-JTQLQIEISA-N 1 1 324.385 -1.488 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001426061546 927520643 /nfs/dbraw/zinc/52/06/43/927520643.db2.gz BASGXGILRLCNJI-SNVBAGLBSA-N 1 1 316.358 -2.918 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CN1CCOCC1=O ZINC001426061546 927520649 /nfs/dbraw/zinc/52/06/49/927520649.db2.gz BASGXGILRLCNJI-SNVBAGLBSA-N 1 1 316.358 -2.918 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(=O)n(C)cn1 ZINC001426066955 927520761 /nfs/dbraw/zinc/52/07/61/927520761.db2.gz MZZNGYLUTQTOFR-LLVKDONJSA-N 1 1 312.370 -1.473 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001426068534 927521805 /nfs/dbraw/zinc/52/18/05/927521805.db2.gz SFDLMDVCKRXDIJ-QWRGUYRKSA-N 1 1 322.369 -1.130 20 0 DAADMO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063728 927521998 /nfs/dbraw/zinc/52/19/98/927521998.db2.gz DSVHWWNKMFRFRR-CMPLNLGQSA-N 1 1 322.427 -1.447 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001426063728 927522008 /nfs/dbraw/zinc/52/20/08/927522008.db2.gz DSVHWWNKMFRFRR-CMPLNLGQSA-N 1 1 322.427 -1.447 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001426058438 927522029 /nfs/dbraw/zinc/52/20/29/927522029.db2.gz ILKRCUXQZIVAQC-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001426058438 927522037 /nfs/dbraw/zinc/52/20/37/927522037.db2.gz ILKRCUXQZIVAQC-JGVFFNPUSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001426068531 927522205 /nfs/dbraw/zinc/52/22/05/927522205.db2.gz SFDLMDVCKRXDIJ-MNOVXSKESA-N 1 1 322.369 -1.130 20 0 DAADMO CC(C)[C@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001426077297 927523750 /nfs/dbraw/zinc/52/37/50/927523750.db2.gz BALHCGNDAMCMFC-KOLCDFICSA-N 1 1 320.365 -1.074 20 0 DAADMO CC(C)[C@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001426077297 927523759 /nfs/dbraw/zinc/52/37/59/927523759.db2.gz BALHCGNDAMCMFC-KOLCDFICSA-N 1 1 320.365 -1.074 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001426072743 927523780 /nfs/dbraw/zinc/52/37/80/927523780.db2.gz FHYXHIHGBBHBNA-DGCLKSJQSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001426072743 927523798 /nfs/dbraw/zinc/52/37/98/927523798.db2.gz FHYXHIHGBBHBNA-DGCLKSJQSA-N 1 1 301.387 -1.092 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001426070344 927523873 /nfs/dbraw/zinc/52/38/73/927523873.db2.gz WTQRJKOBFIWBHD-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001426070344 927523882 /nfs/dbraw/zinc/52/38/82/927523882.db2.gz WTQRJKOBFIWBHD-QWRGUYRKSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)c1 ZINC001426070536 927524166 /nfs/dbraw/zinc/52/41/66/927524166.db2.gz YQILQNCMBLECRE-LBPRGKRZSA-N 1 1 322.365 -1.365 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cccc(C(N)=O)c1 ZINC001426070536 927524177 /nfs/dbraw/zinc/52/41/77/927524177.db2.gz YQILQNCMBLECRE-LBPRGKRZSA-N 1 1 322.365 -1.365 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001426069973 927525224 /nfs/dbraw/zinc/52/52/24/927525224.db2.gz KXRKAJXYRBVQMI-GHMZBOCLSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001426070195 927526260 /nfs/dbraw/zinc/52/62/60/927526260.db2.gz HUOJLVVFKXPIKY-NWDGAFQWSA-N 1 1 301.387 -1.259 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001426073316 927526377 /nfs/dbraw/zinc/52/63/77/927526377.db2.gz SCFYLEIYOQNRCS-QWRGUYRKSA-N 1 1 316.402 -1.602 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001426073316 927526387 /nfs/dbraw/zinc/52/63/87/927526387.db2.gz SCFYLEIYOQNRCS-QWRGUYRKSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@H](O)CN(C)[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001426087605 927526788 /nfs/dbraw/zinc/52/67/88/927526788.db2.gz UZXMLGOBANQHTK-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1ncn(C)n1 ZINC001426081724 927527093 /nfs/dbraw/zinc/52/70/93/927527093.db2.gz XEUNOEQLVJXSGE-LLVKDONJSA-N 1 1 322.373 -1.529 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001426081385 927527395 /nfs/dbraw/zinc/52/73/95/927527395.db2.gz KYSNCEMDXRZMOX-WCQYABFASA-N 1 1 313.402 -1.120 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426084756 927527410 /nfs/dbraw/zinc/52/74/10/927527410.db2.gz KTEIVYKRMVLLAT-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426084756 927527419 /nfs/dbraw/zinc/52/74/19/927527419.db2.gz KTEIVYKRMVLLAT-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001426081381 927528359 /nfs/dbraw/zinc/52/83/59/927528359.db2.gz KYSNCEMDXRZMOX-DGCLKSJQSA-N 1 1 313.402 -1.120 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088334 927528476 /nfs/dbraw/zinc/52/84/76/927528476.db2.gz QFCGAPGAOBPCPS-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1nc[nH]n1 ZINC001426088334 927528485 /nfs/dbraw/zinc/52/84/85/927528485.db2.gz QFCGAPGAOBPCPS-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001426082380 927528666 /nfs/dbraw/zinc/52/86/66/927528666.db2.gz VORYGPHGOQBKTF-UWVGGRQHSA-N 1 1 320.365 -1.059 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001426082380 927528672 /nfs/dbraw/zinc/52/86/72/927528672.db2.gz VORYGPHGOQBKTF-UWVGGRQHSA-N 1 1 320.365 -1.059 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001426081863 927528869 /nfs/dbraw/zinc/52/88/69/927528869.db2.gz BGVFWCXGVVTAQF-QWRGUYRKSA-N 1 1 315.374 -1.813 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001426084968 927529251 /nfs/dbraw/zinc/52/92/51/927529251.db2.gz RFXICBZNEDTPBU-OUAUKWLOSA-N 1 1 305.350 -1.260 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001426084968 927529261 /nfs/dbraw/zinc/52/92/61/927529261.db2.gz RFXICBZNEDTPBU-OUAUKWLOSA-N 1 1 305.350 -1.260 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001426080300 927529731 /nfs/dbraw/zinc/52/97/31/927529731.db2.gz KHUXARFXCQLOHU-RYUDHWBXSA-N 1 1 316.402 -1.156 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001426099375 927530572 /nfs/dbraw/zinc/53/05/72/927530572.db2.gz VVJFTAHRWIBVSB-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001426099375 927530574 /nfs/dbraw/zinc/53/05/74/927530574.db2.gz VVJFTAHRWIBVSB-NSHDSACASA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C)c1ncccc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001426099958 927530755 /nfs/dbraw/zinc/53/07/55/927530755.db2.gz KMWIQLCNRGXOKS-LLVKDONJSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ncccc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001426099958 927530763 /nfs/dbraw/zinc/53/07/63/927530763.db2.gz KMWIQLCNRGXOKS-LLVKDONJSA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1ccc(=O)n(C)n1 ZINC001426105872 927530902 /nfs/dbraw/zinc/53/09/02/927530902.db2.gz XITMVRXJZOFJJT-NSHDSACASA-N 1 1 312.370 -1.473 20 0 DAADMO CC(C)c1nnnn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001426107078 927530978 /nfs/dbraw/zinc/53/09/78/927530978.db2.gz ZKMOCBRSHBJSNW-LLVKDONJSA-N 1 1 314.390 -1.460 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001426099374 927531123 /nfs/dbraw/zinc/53/11/23/927531123.db2.gz VVJFTAHRWIBVSB-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001426099374 927531136 /nfs/dbraw/zinc/53/11/36/927531136.db2.gz VVJFTAHRWIBVSB-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001426094493 927531244 /nfs/dbraw/zinc/53/12/44/927531244.db2.gz BLEGWCMRXCXPCP-RKDXNWHRSA-N 1 1 324.403 -2.840 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001426094493 927531249 /nfs/dbraw/zinc/53/12/49/927531249.db2.gz BLEGWCMRXCXPCP-RKDXNWHRSA-N 1 1 324.403 -2.840 20 0 DAADMO CCCN1C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)CC1=O ZINC001426100360 927532462 /nfs/dbraw/zinc/53/24/62/927532462.db2.gz LKKQMFSBCSLFBE-QWHCGFSZSA-N 1 1 315.414 -1.012 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001426094317 927532547 /nfs/dbraw/zinc/53/25/47/927532547.db2.gz BLEGWCMRXCXPCP-IUCAKERBSA-N 1 1 324.403 -2.840 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001426094317 927532552 /nfs/dbraw/zinc/53/25/52/927532552.db2.gz BLEGWCMRXCXPCP-IUCAKERBSA-N 1 1 324.403 -2.840 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001426104695 927532613 /nfs/dbraw/zinc/53/26/13/927532613.db2.gz VJNMSWDZDDSKMP-WDEREUQCSA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C)c1ncccc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001426099959 927532700 /nfs/dbraw/zinc/53/27/00/927532700.db2.gz KMWIQLCNRGXOKS-NSHDSACASA-N 1 1 323.397 -1.002 20 0 DAADMO CN(C)c1ncccc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001426099959 927532709 /nfs/dbraw/zinc/53/27/09/927532709.db2.gz KMWIQLCNRGXOKS-NSHDSACASA-N 1 1 323.397 -1.002 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn[nH]c(=O)c1)[C@@H]1CCNC1=O ZINC001426160574 927533752 /nfs/dbraw/zinc/53/37/52/927533752.db2.gz KMKSVHXWIZCKJD-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn[nH]c(=O)c1)[C@@H]1CCNC1=O ZINC001426160574 927533763 /nfs/dbraw/zinc/53/37/63/927533763.db2.gz KMKSVHXWIZCKJD-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@@H](C)O ZINC001426166818 927534320 /nfs/dbraw/zinc/53/43/20/927534320.db2.gz XLOCVBSINHSSJF-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)C[C@@H](C)O ZINC001426170381 927535026 /nfs/dbraw/zinc/53/50/26/927535026.db2.gz VVQBYEKXVROJAA-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ccnn1C)[C@H]1CCNC1=O ZINC001426153255 927535628 /nfs/dbraw/zinc/53/56/28/927535628.db2.gz HHKPZSYUAJPACP-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ccnn1C)[C@H]1CCNC1=O ZINC001426153255 927535639 /nfs/dbraw/zinc/53/56/39/927535639.db2.gz HHKPZSYUAJPACP-LBPRGKRZSA-N 1 1 309.370 -1.013 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001426527669 927549848 /nfs/dbraw/zinc/54/98/48/927549848.db2.gz PYVQNWMISUUHGZ-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001426527669 927549853 /nfs/dbraw/zinc/54/98/53/927549853.db2.gz PYVQNWMISUUHGZ-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1O ZINC001426537388 927552527 /nfs/dbraw/zinc/55/25/27/927552527.db2.gz AUNNXBMCAWGKBW-VXGBXAGGSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001426543239 927555200 /nfs/dbraw/zinc/55/52/00/927555200.db2.gz YPROOJKEWWLWCQ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001426543239 927555206 /nfs/dbraw/zinc/55/52/06/927555206.db2.gz YPROOJKEWWLWCQ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001426543239 927555208 /nfs/dbraw/zinc/55/52/08/927555208.db2.gz YPROOJKEWWLWCQ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001426543239 927555214 /nfs/dbraw/zinc/55/52/14/927555214.db2.gz YPROOJKEWWLWCQ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001426543239 927555221 /nfs/dbraw/zinc/55/52/21/927555221.db2.gz YPROOJKEWWLWCQ-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426598490 927559025 /nfs/dbraw/zinc/55/90/25/927559025.db2.gz DBXUSBGJOQJKNT-QWRGUYRKSA-N 1 1 319.427 -1.054 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618784 927559158 /nfs/dbraw/zinc/55/91/58/927559158.db2.gz SXSVZJMSMPSGCS-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618784 927559162 /nfs/dbraw/zinc/55/91/62/927559162.db2.gz SXSVZJMSMPSGCS-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426629192 927560067 /nfs/dbraw/zinc/56/00/67/927560067.db2.gz UCYFDZXJMNYZHS-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426629192 927560070 /nfs/dbraw/zinc/56/00/70/927560070.db2.gz UCYFDZXJMNYZHS-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426631015 927560327 /nfs/dbraw/zinc/56/03/27/927560327.db2.gz UCYFDZXJMNYZHS-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cn(C)nn1 ZINC001426631015 927560336 /nfs/dbraw/zinc/56/03/36/927560336.db2.gz UCYFDZXJMNYZHS-ZYHUDNBSSA-N 1 1 324.385 -1.278 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001426635055 927563147 /nfs/dbraw/zinc/56/31/47/927563147.db2.gz KYJXSLUVJGCPAR-NEPJUHHUSA-N 1 1 314.386 -1.849 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001426658415 927566851 /nfs/dbraw/zinc/56/68/51/927566851.db2.gz NDYUTVYCTYRDQY-MNOVXSKESA-N 1 1 311.342 -1.287 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001426659807 927568632 /nfs/dbraw/zinc/56/86/32/927568632.db2.gz BSSDTJQCCKPCRF-MNOVXSKESA-N 1 1 324.385 -1.245 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001426659807 927568640 /nfs/dbraw/zinc/56/86/40/927568640.db2.gz BSSDTJQCCKPCRF-MNOVXSKESA-N 1 1 324.385 -1.245 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001426659807 927568648 /nfs/dbraw/zinc/56/86/48/927568648.db2.gz BSSDTJQCCKPCRF-MNOVXSKESA-N 1 1 324.385 -1.245 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC001426669819 927569856 /nfs/dbraw/zinc/56/98/56/927569856.db2.gz PGKATQBLMVXNFA-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001426679208 927573344 /nfs/dbraw/zinc/57/33/44/927573344.db2.gz UWINIOQAASRLES-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)Cn3ncnn3)C2)C1 ZINC001426850900 927581908 /nfs/dbraw/zinc/58/19/08/927581908.db2.gz AUAMDOIMSLEXLE-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1 ZINC001426889176 927585801 /nfs/dbraw/zinc/58/58/01/927585801.db2.gz UCROAOXGRNDYNH-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC001426906958 927587990 /nfs/dbraw/zinc/58/79/90/927587990.db2.gz JQQPBNCWEOSDKU-NEPJUHHUSA-N 1 1 311.390 -1.816 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cnon2)C1 ZINC001426936311 927588164 /nfs/dbraw/zinc/58/81/64/927588164.db2.gz VRQBIVFBKFBAFD-NSHDSACASA-N 1 1 323.353 -1.143 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H]1COC[C@H]1O)CN1CC[NH+](C)CC1 ZINC001426916400 927589437 /nfs/dbraw/zinc/58/94/37/927589437.db2.gz BSAHYCBYIHMIEX-YNEHKIRRSA-N 1 1 300.403 -1.071 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC001426906970 927589515 /nfs/dbraw/zinc/58/95/15/927589515.db2.gz JQQPBNCWEOSDKU-RYUDHWBXSA-N 1 1 311.390 -1.816 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001427034858 927590493 /nfs/dbraw/zinc/59/04/93/927590493.db2.gz GADCGQWXDQWIOC-NSHDSACASA-N 1 1 323.401 -1.024 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1C ZINC001427043892 927591954 /nfs/dbraw/zinc/59/19/54/927591954.db2.gz FXWWJRGRMOYJLO-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001427108502 927595594 /nfs/dbraw/zinc/59/55/94/927595594.db2.gz ZTVXEUPIDVBBMD-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001427108511 927595710 /nfs/dbraw/zinc/59/57/10/927595710.db2.gz ZTVXEUPIDVBBMD-ZYHUDNBSSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](NC(=O)NC[C@@H](O)Cn1ccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC001427123561 927597274 /nfs/dbraw/zinc/59/72/74/927597274.db2.gz GRUHGKPAXVYFHN-TUAOUCFPSA-N 1 1 312.374 -1.343 20 0 DAADMO C[C@H](NC(=O)NC[C@@H](O)Cn1ccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001427123561 927597300 /nfs/dbraw/zinc/59/73/00/927597300.db2.gz GRUHGKPAXVYFHN-TUAOUCFPSA-N 1 1 312.374 -1.343 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001427281557 927602315 /nfs/dbraw/zinc/60/23/15/927602315.db2.gz YURFEULUODDCDT-GMTAPVOTSA-N 1 1 311.386 -1.383 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001427408562 927610248 /nfs/dbraw/zinc/61/02/48/927610248.db2.gz QIQHCBDFNKMCSS-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C1=NO[C@@H](CNC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC001427505552 927614187 /nfs/dbraw/zinc/61/41/87/927614187.db2.gz VSBQNKXEXBGPSX-SNVBAGLBSA-N 1 1 313.358 -1.362 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001427734099 927635005 /nfs/dbraw/zinc/63/50/05/927635005.db2.gz KXIKZUAZISRVSV-JTQLQIEISA-N 1 1 313.362 -2.393 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001427735532 927635079 /nfs/dbraw/zinc/63/50/79/927635079.db2.gz NSFBQDXVNXLQOT-DGCLKSJQSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001427735544 927636452 /nfs/dbraw/zinc/63/64/52/927636452.db2.gz NSFBQDXVNXLQOT-YPMHNXCESA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739525 927638827 /nfs/dbraw/zinc/63/88/27/927638827.db2.gz RADSLRJSUFJABC-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739525 927638838 /nfs/dbraw/zinc/63/88/38/927638838.db2.gz RADSLRJSUFJABC-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739520 927639726 /nfs/dbraw/zinc/63/97/26/927639726.db2.gz RADSLRJSUFJABC-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(F)F)C1 ZINC001427739520 927639731 /nfs/dbraw/zinc/63/97/31/927639731.db2.gz RADSLRJSUFJABC-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO CCOCC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001427743554 927641727 /nfs/dbraw/zinc/64/17/27/927641727.db2.gz FEKJBBAAVWSHHS-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cnsn2)C1 ZINC001427753866 927645906 /nfs/dbraw/zinc/64/59/06/927645906.db2.gz CSLOTUHBRUKOIE-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnsn2)C1 ZINC001427753863 927646657 /nfs/dbraw/zinc/64/66/57/927646657.db2.gz CSLOTUHBRUKOIE-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001427764059 927652432 /nfs/dbraw/zinc/65/24/32/927652432.db2.gz SVCSRGZHZLVWIM-YUSALJHKSA-N 1 1 309.370 -1.043 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427771048 927654277 /nfs/dbraw/zinc/65/42/77/927654277.db2.gz GASLXIDOUIICON-MNOVXSKESA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427771052 927655047 /nfs/dbraw/zinc/65/50/47/927655047.db2.gz GASLXIDOUIICON-QWRGUYRKSA-N 1 1 309.370 -1.421 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001427776292 927659341 /nfs/dbraw/zinc/65/93/41/927659341.db2.gz JSNQFJJGSLKGPY-WCBMZHEXSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001427776292 927659354 /nfs/dbraw/zinc/65/93/54/927659354.db2.gz JSNQFJJGSLKGPY-WCBMZHEXSA-N 1 1 313.314 -2.393 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782351 927660691 /nfs/dbraw/zinc/66/06/91/927660691.db2.gz UYEAJKNNRZADDF-QWRGUYRKSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782351 927660703 /nfs/dbraw/zinc/66/07/03/927660703.db2.gz UYEAJKNNRZADDF-QWRGUYRKSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779890 927661282 /nfs/dbraw/zinc/66/12/82/927661282.db2.gz QVYDGHRAYYIADX-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cccnc2)C1 ZINC001427779890 927661292 /nfs/dbraw/zinc/66/12/92/927661292.db2.gz QVYDGHRAYYIADX-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cn(C)cn2)CC[N@H+]1C ZINC001427788650 927665276 /nfs/dbraw/zinc/66/52/76/927665276.db2.gz SEDGSYKMRWMQRD-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001427800877 927672789 /nfs/dbraw/zinc/67/27/89/927672789.db2.gz ZKNMLXPZXBDYPE-IJLUTSLNSA-N 1 1 301.387 -1.309 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427810883 927676357 /nfs/dbraw/zinc/67/63/57/927676357.db2.gz PQCCARDPCWSQAM-GHMZBOCLSA-N 1 1 324.385 -1.543 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427810884 927677257 /nfs/dbraw/zinc/67/72/57/927677257.db2.gz PQCCARDPCWSQAM-MNOVXSKESA-N 1 1 324.385 -1.543 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001427820524 927679134 /nfs/dbraw/zinc/67/91/34/927679134.db2.gz DIFJPYQUBLXQDL-NEPJUHHUSA-N 1 1 309.370 -1.572 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2cncn2)C1 ZINC001427820211 927679614 /nfs/dbraw/zinc/67/96/14/927679614.db2.gz CQSAPZIDSHPRLQ-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001427821969 927681297 /nfs/dbraw/zinc/68/12/97/927681297.db2.gz GDRMSESJGXCRKF-VXGBXAGGSA-N 1 1 309.370 -1.572 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001427822598 927682179 /nfs/dbraw/zinc/68/21/79/927682179.db2.gz AWXLSVLIPQURNC-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822598 927682184 /nfs/dbraw/zinc/68/21/84/927682184.db2.gz AWXLSVLIPQURNC-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001427822598 927682189 /nfs/dbraw/zinc/68/21/89/927682189.db2.gz AWXLSVLIPQURNC-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnccn2)C1 ZINC001427821423 927682249 /nfs/dbraw/zinc/68/22/49/927682249.db2.gz DXFLBSDRPLPBGJ-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ncccn1 ZINC001427830886 927683946 /nfs/dbraw/zinc/68/39/46/927683946.db2.gz QFOCLFVNQJHTQF-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CCn2cccn2)C1 ZINC001427829011 927684766 /nfs/dbraw/zinc/68/47/66/927684766.db2.gz PBZCXNMXACLVOQ-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427826983 927684924 /nfs/dbraw/zinc/68/49/24/927684924.db2.gz NGXVSFPGNHAWJR-NXEZZACHSA-N 1 1 310.358 -1.728 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001427834379 927685919 /nfs/dbraw/zinc/68/59/19/927685919.db2.gz XMHSQWNYVVEQRM-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001427834539 927686640 /nfs/dbraw/zinc/68/66/40/927686640.db2.gz XOUGGEGNYQOPRM-NWDGAFQWSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835182 927687167 /nfs/dbraw/zinc/68/71/67/927687167.db2.gz YOGFRPGSMDMIBV-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835182 927687177 /nfs/dbraw/zinc/68/71/77/927687177.db2.gz YOGFRPGSMDMIBV-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001427834383 927687850 /nfs/dbraw/zinc/68/78/50/927687850.db2.gz XMHSQWNYVVEQRM-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001427845717 927688719 /nfs/dbraw/zinc/68/87/19/927688719.db2.gz KMNUQVZGDOHHJH-WDEREUQCSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)C1 ZINC001427846431 927689255 /nfs/dbraw/zinc/68/92/55/927689255.db2.gz AHMJEIADASMXLZ-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn1ccnc1)C1CCC1 ZINC001427856594 927691949 /nfs/dbraw/zinc/69/19/49/927691949.db2.gz YSQDZCXXQGEKQS-GFCCVEGCSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1COCCO1 ZINC001427853577 927692277 /nfs/dbraw/zinc/69/22/77/927692277.db2.gz GFKABUDRNIPMAW-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)C(=O)N[C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001427890161 927699197 /nfs/dbraw/zinc/69/91/97/927699197.db2.gz LBXQSIILZDNZEG-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001427890158 927699521 /nfs/dbraw/zinc/69/95/21/927699521.db2.gz LBJLSIOXDIDRIU-ZYHUDNBSSA-N 1 1 324.385 -1.494 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)NC(=O)C(F)F ZINC001427888692 927699925 /nfs/dbraw/zinc/69/99/25/927699925.db2.gz JRLLJXGOLXECGK-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2csnn2)C1 ZINC001427892137 927700901 /nfs/dbraw/zinc/70/09/01/927700901.db2.gz DVPUJHUSUGAMFQ-DTWKUNHWSA-N 1 1 313.383 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001427894283 927702852 /nfs/dbraw/zinc/70/28/52/927702852.db2.gz PKZPISYFZLXNST-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001427909901 927703392 /nfs/dbraw/zinc/70/33/92/927703392.db2.gz PAFITURJQFKTEQ-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427909290 927703519 /nfs/dbraw/zinc/70/35/19/927703519.db2.gz PTKRUXLCBGXKPU-NWDGAFQWSA-N 1 1 323.397 -1.194 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427909288 927705206 /nfs/dbraw/zinc/70/52/06/927705206.db2.gz PTKRUXLCBGXKPU-NEPJUHHUSA-N 1 1 323.397 -1.194 20 0 DAADMO Cn1cc(CC(=O)N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001427915316 927706861 /nfs/dbraw/zinc/70/68/61/927706861.db2.gz CEFWTCFODAMTFH-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001427926485 927711284 /nfs/dbraw/zinc/71/12/84/927711284.db2.gz OYMVNNTWVKOUGO-JTQLQIEISA-N 1 1 312.374 -1.340 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnon2)C1 ZINC001427927189 927711586 /nfs/dbraw/zinc/71/15/86/927711586.db2.gz WBCPLFMBOIYLEN-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cc1ncc[nH]1 ZINC001427933224 927714411 /nfs/dbraw/zinc/71/44/11/927714411.db2.gz FGZONWZEFFMSBK-LLVKDONJSA-N 1 1 311.386 -1.114 20 0 DAADMO Cc1nc(CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001427943556 927718008 /nfs/dbraw/zinc/71/80/08/927718008.db2.gz DIHKYOQNEXRCON-JTQLQIEISA-N 1 1 312.374 -1.799 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn(C)cn2)C1 ZINC001427969657 927721779 /nfs/dbraw/zinc/72/17/79/927721779.db2.gz KYNCNYSGCWWZQA-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001427965660 927723014 /nfs/dbraw/zinc/72/30/14/927723014.db2.gz IZCSBZQUXDOTRY-ONGXEEELSA-N 1 1 324.385 -1.338 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnnn2C)C1 ZINC001427976064 927724886 /nfs/dbraw/zinc/72/48/86/927724886.db2.gz RLCZUHVZBNOFGT-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H]1C ZINC001427994463 927728054 /nfs/dbraw/zinc/72/80/54/927728054.db2.gz GYXFYAOXNMULJX-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1nccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428194018 927751339 /nfs/dbraw/zinc/75/13/39/927751339.db2.gz BWXVJRQIVMYAFN-RYUDHWBXSA-N 1 1 324.385 -1.835 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1nccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428194020 927752256 /nfs/dbraw/zinc/75/22/56/927752256.db2.gz BWXVJRQIVMYAFN-VXGBXAGGSA-N 1 1 324.385 -1.835 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001428205532 927753485 /nfs/dbraw/zinc/75/34/85/927753485.db2.gz CIXQTYQITOZIIA-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)C1 ZINC001428200590 927753945 /nfs/dbraw/zinc/75/39/45/927753945.db2.gz VQDJXHGEKSRALA-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(F)F)C1 ZINC001428200590 927753956 /nfs/dbraw/zinc/75/39/56/927753956.db2.gz VQDJXHGEKSRALA-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428206114 927753985 /nfs/dbraw/zinc/75/39/85/927753985.db2.gz SDPJJOMKXAWFCI-QWHCGFSZSA-N 1 1 323.397 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)C1 ZINC001428200594 927754385 /nfs/dbraw/zinc/75/43/85/927754385.db2.gz VQDJXHGEKSRALA-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(F)F)C1 ZINC001428200594 927754393 /nfs/dbraw/zinc/75/43/93/927754393.db2.gz VQDJXHGEKSRALA-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cncnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428204568 927754646 /nfs/dbraw/zinc/75/46/46/927754646.db2.gz PPBNYFMGCRABBI-WCQYABFASA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ccnc1 ZINC001428226597 927759343 /nfs/dbraw/zinc/75/93/43/927759343.db2.gz UMPBIBOFMBEMCD-CHWSQXEVSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428217891 927759734 /nfs/dbraw/zinc/75/97/34/927759734.db2.gz VEQZGNKLVNEFKM-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC001428217891 927759745 /nfs/dbraw/zinc/75/97/45/927759745.db2.gz VEQZGNKLVNEFKM-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428217891 927759751 /nfs/dbraw/zinc/75/97/51/927759751.db2.gz VEQZGNKLVNEFKM-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001428240597 927763526 /nfs/dbraw/zinc/76/35/26/927763526.db2.gz XVRYMMHMIHGRLN-GMTAPVOTSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001428252669 927765916 /nfs/dbraw/zinc/76/59/16/927765916.db2.gz HMHUOJLLAKHQJQ-TUAOUCFPSA-N 1 1 312.370 -1.784 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001428252669 927765923 /nfs/dbraw/zinc/76/59/23/927765923.db2.gz HMHUOJLLAKHQJQ-TUAOUCFPSA-N 1 1 312.370 -1.784 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001428440211 927780802 /nfs/dbraw/zinc/78/08/02/927780802.db2.gz OTQYBFRAGSWZQL-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428499265 927782296 /nfs/dbraw/zinc/78/22/96/927782296.db2.gz LZDMQNKZDUAZAS-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428499265 927782302 /nfs/dbraw/zinc/78/23/02/927782302.db2.gz LZDMQNKZDUAZAS-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428499267 927782568 /nfs/dbraw/zinc/78/25/68/927782568.db2.gz LZDMQNKZDUAZAS-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428499267 927782573 /nfs/dbraw/zinc/78/25/73/927782573.db2.gz LZDMQNKZDUAZAS-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428499272 927782828 /nfs/dbraw/zinc/78/28/28/927782828.db2.gz LZDMQNKZDUAZAS-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428499272 927782838 /nfs/dbraw/zinc/78/28/38/927782838.db2.gz LZDMQNKZDUAZAS-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1CS(=O)(=O)C1 ZINC001428555569 927785872 /nfs/dbraw/zinc/78/58/72/927785872.db2.gz XAOZYOQFBAGOOO-KOLCDFICSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428552975 927786174 /nfs/dbraw/zinc/78/61/74/927786174.db2.gz XCMXHEJLUJSTRO-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428552975 927786182 /nfs/dbraw/zinc/78/61/82/927786182.db2.gz XCMXHEJLUJSTRO-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)c1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428697552 927798106 /nfs/dbraw/zinc/79/81/06/927798106.db2.gz SJIAPEFEGOJYHH-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428697552 927798118 /nfs/dbraw/zinc/79/81/18/927798118.db2.gz SJIAPEFEGOJYHH-ZYHUDNBSSA-N 1 1 309.370 -1.015 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001428743928 927800702 /nfs/dbraw/zinc/80/07/02/927800702.db2.gz CELLRCGBTMEDHN-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001428938778 927829439 /nfs/dbraw/zinc/82/94/39/927829439.db2.gz HUPXHRXRMBCGDU-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001429084487 927838567 /nfs/dbraw/zinc/83/85/67/927838567.db2.gz OMCSBRZXSBTIRG-GRYCIOLGSA-N 1 1 321.385 -1.222 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnnn1C ZINC001429205773 927844787 /nfs/dbraw/zinc/84/47/87/927844787.db2.gz YYCSXWXFZCKZJJ-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnnn1C ZINC001429205773 927844795 /nfs/dbraw/zinc/84/47/95/927844795.db2.gz YYCSXWXFZCKZJJ-LLVKDONJSA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCC(=O)N1 ZINC001429205806 927845231 /nfs/dbraw/zinc/84/52/31/927845231.db2.gz ZVVWCBWIYAIVJO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCC(=O)N1 ZINC001429205806 927845245 /nfs/dbraw/zinc/84/52/45/927845245.db2.gz ZVVWCBWIYAIVJO-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncn(C)c1=O ZINC001429196352 927846415 /nfs/dbraw/zinc/84/64/15/927846415.db2.gz WLGKPVWXDVQJTK-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1c[nH]c(=O)cn1 ZINC001429257438 927850994 /nfs/dbraw/zinc/85/09/94/927850994.db2.gz AQRWYNYBLOXUJV-SNVBAGLBSA-N 1 1 307.354 -1.090 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001429273462 927854941 /nfs/dbraw/zinc/85/49/41/927854941.db2.gz AUHANGZZYFRZPA-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001429273465 927855968 /nfs/dbraw/zinc/85/59/68/927855968.db2.gz AUHANGZZYFRZPA-WDEREUQCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2nnn(C)n2)CC[N@H+]1C ZINC001429288396 927858069 /nfs/dbraw/zinc/85/80/69/927858069.db2.gz MMGJNWJGYRGHLJ-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001429417808 927869100 /nfs/dbraw/zinc/86/91/00/927869100.db2.gz YHIXYFITUPCSJZ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)c2nnn(C)n2)C1 ZINC001429427863 927869641 /nfs/dbraw/zinc/86/96/41/927869641.db2.gz QGUCIFWIIYUFJM-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001429411021 927869847 /nfs/dbraw/zinc/86/98/47/927869847.db2.gz VDJBKZPNPLJOPA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001429459864 927873361 /nfs/dbraw/zinc/87/33/61/927873361.db2.gz WBHQIEVPEZBBNB-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001429459866 927873643 /nfs/dbraw/zinc/87/36/43/927873643.db2.gz WBHQIEVPEZBBNB-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO CCn1cc(C(=O)NCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001429468762 927873912 /nfs/dbraw/zinc/87/39/12/927873912.db2.gz QZHOTPKGJDYHJM-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1cc(C(=O)NCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001429468762 927873925 /nfs/dbraw/zinc/87/39/25/927873925.db2.gz QZHOTPKGJDYHJM-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO COC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001429464846 927873972 /nfs/dbraw/zinc/87/39/72/927873972.db2.gz JTLBLPVPMNFPEE-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001429508182 927878928 /nfs/dbraw/zinc/87/89/28/927878928.db2.gz WWHBVDWLZBMZDZ-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CCNC(N)=O ZINC001429578003 927885041 /nfs/dbraw/zinc/88/50/41/927885041.db2.gz FUCSXWAGCPFCDH-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CCNC(N)=O ZINC001429578006 927885828 /nfs/dbraw/zinc/88/58/28/927885828.db2.gz FUCSXWAGCPFCDH-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001429873413 927902630 /nfs/dbraw/zinc/90/26/30/927902630.db2.gz IOPBGQKDFDTQKA-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(C(=O)c2nc[nH]n2)C2CC2)C1 ZINC001429870930 927902877 /nfs/dbraw/zinc/90/28/77/927902877.db2.gz LDZMIDRSNYNLAU-LLVKDONJSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(C(=O)c2nc[nH]n2)C2CC2)C1 ZINC001429870930 927902886 /nfs/dbraw/zinc/90/28/86/927902886.db2.gz LDZMIDRSNYNLAU-LLVKDONJSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001429952132 927903940 /nfs/dbraw/zinc/90/39/40/927903940.db2.gz GPOYDMZASATXMK-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001429952128 927905158 /nfs/dbraw/zinc/90/51/58/927905158.db2.gz GPOYDMZASATXMK-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NC(=O)Cn2cnnn2)C2CC2)C1 ZINC001429971747 927906528 /nfs/dbraw/zinc/90/65/28/927906528.db2.gz XYCAXKKRFLSBGT-NEPJUHHUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CNC(=O)C2CC2)C1 ZINC001430158617 927917263 /nfs/dbraw/zinc/91/72/63/927917263.db2.gz ZGCNNYQYHHKRRB-GFCCVEGCSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)CCc2cnc[nH]2)C1 ZINC001430227174 927927442 /nfs/dbraw/zinc/92/74/42/927927442.db2.gz GBTQHEVPNHAUGI-MNOVXSKESA-N 1 1 305.338 -1.209 20 0 DAADMO O=C(CCc1cnc[nH]1)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001430226192 927928111 /nfs/dbraw/zinc/92/81/11/927928111.db2.gz BABQFUKQJJPMIG-NSHDSACASA-N 1 1 305.338 -1.052 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001430226598 927928364 /nfs/dbraw/zinc/92/83/64/927928364.db2.gz OERDHSBZOTVIMK-PHIMTYICSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001430242239 927930298 /nfs/dbraw/zinc/93/02/98/927930298.db2.gz AXPFFKGKCATGMK-UHFFFAOYSA-N 1 1 308.342 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)CS(C)(=O)=O)C2)C1 ZINC001430352563 927940542 /nfs/dbraw/zinc/94/05/42/927940542.db2.gz WKXYZBSVVNTKHT-NSHDSACASA-N 1 1 317.411 -1.443 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001430374884 927943830 /nfs/dbraw/zinc/94/38/30/927943830.db2.gz FHAKUKUJDJJSJT-UHFFFAOYSA-N 1 1 309.374 -1.412 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001430408792 927946242 /nfs/dbraw/zinc/94/62/42/927946242.db2.gz IMKDDJSPEGQVFJ-UHFFFAOYSA-N 1 1 318.341 -1.397 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001430428481 927948995 /nfs/dbraw/zinc/94/89/95/927948995.db2.gz NUXUPQWCPXGYOR-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001430416415 927949751 /nfs/dbraw/zinc/94/97/51/927949751.db2.gz GCTSXTPCLRKVBI-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430435900 927951594 /nfs/dbraw/zinc/95/15/94/927951594.db2.gz JQSPNINMWDLSQE-WDEREUQCSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)C1=COCCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430435900 927951606 /nfs/dbraw/zinc/95/16/06/927951606.db2.gz JQSPNINMWDLSQE-WDEREUQCSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478043 927955445 /nfs/dbraw/zinc/95/54/45/927955445.db2.gz AGLZJNFBADUXML-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1cnn(C)c1 ZINC001430478043 927955453 /nfs/dbraw/zinc/95/54/53/927955453.db2.gz AGLZJNFBADUXML-AAEUAGOBSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481629 927956100 /nfs/dbraw/zinc/95/61/00/927956100.db2.gz KKXZIXOIBAOIJM-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCn1ccnn1 ZINC001430481629 927956116 /nfs/dbraw/zinc/95/61/16/927956116.db2.gz KKXZIXOIBAOIJM-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430479228 927956502 /nfs/dbraw/zinc/95/65/02/927956502.db2.gz WPDKSCDXMRSVGA-USZNOCQGSA-N 1 1 323.397 -1.193 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1ncnn1 ZINC001430576579 927965100 /nfs/dbraw/zinc/96/51/00/927965100.db2.gz LNHVESCBACLVCS-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO CC[C@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)Cn1cnnn1 ZINC001430587254 927966414 /nfs/dbraw/zinc/96/64/14/927966414.db2.gz LZPHANABKDDZEC-LLVKDONJSA-N 1 1 320.357 -1.111 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)NC(=O)Cn1cc[nH+]c1C ZINC001430618118 927968958 /nfs/dbraw/zinc/96/89/58/927968958.db2.gz RSLBBUMAHVKLQP-LLVKDONJSA-N 1 1 320.357 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001430858263 927982760 /nfs/dbraw/zinc/98/27/60/927982760.db2.gz IOIBUBXKRLDGEX-GHMZBOCLSA-N 1 1 311.386 -1.429 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001430901780 927985421 /nfs/dbraw/zinc/98/54/21/927985421.db2.gz UYCLDWGRKUAUNF-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430963618 927987037 /nfs/dbraw/zinc/98/70/37/927987037.db2.gz NFUTUYWLXHZTAG-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431000087 927989434 /nfs/dbraw/zinc/98/94/34/927989434.db2.gz FEHQQGPDNICZQH-JQWIXIFHSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431000087 927989444 /nfs/dbraw/zinc/98/94/44/927989444.db2.gz FEHQQGPDNICZQH-JQWIXIFHSA-N 1 1 324.385 -1.372 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001430996136 927989615 /nfs/dbraw/zinc/98/96/15/927989615.db2.gz WIDIQTCKZAOEMB-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001430996136 927989623 /nfs/dbraw/zinc/98/96/23/927989623.db2.gz WIDIQTCKZAOEMB-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001431029795 927991674 /nfs/dbraw/zinc/99/16/74/927991674.db2.gz JUOASYHOIYGWSA-JTQLQIEISA-N 1 1 324.385 -1.011 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431018724 927992061 /nfs/dbraw/zinc/99/20/61/927992061.db2.gz AZMDSWGGEXYOHK-NWDGAFQWSA-N 1 1 323.401 -1.117 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001431035459 927992553 /nfs/dbraw/zinc/99/25/53/927992553.db2.gz NEFFYCAUAMFEAM-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001431087301 927995352 /nfs/dbraw/zinc/99/53/52/927995352.db2.gz SFVDKMVNWFVYJK-MWLCHTKSSA-N 1 1 322.369 -1.116 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1N ZINC001431183955 928000969 /nfs/dbraw/zinc/00/09/69/928000969.db2.gz IYWGQOJSOCKSRQ-NSHDSACASA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1N ZINC001431183955 928000981 /nfs/dbraw/zinc/00/09/81/928000981.db2.gz IYWGQOJSOCKSRQ-NSHDSACASA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1COC(=O)N1 ZINC001431187875 928000995 /nfs/dbraw/zinc/00/09/95/928000995.db2.gz RIDFMQGSSOYYIE-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1COC(=O)N1 ZINC001431187875 928001013 /nfs/dbraw/zinc/00/10/13/928001013.db2.gz RIDFMQGSSOYYIE-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001431204287 928003943 /nfs/dbraw/zinc/00/39/43/928003943.db2.gz HVFDJHRORAWQBI-HBNTYKKESA-N 1 1 313.402 -1.042 20 0 DAADMO CN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431232158 928005075 /nfs/dbraw/zinc/00/50/75/928005075.db2.gz BWJWNGGZFMMCJD-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431232158 928005082 /nfs/dbraw/zinc/00/50/82/928005082.db2.gz BWJWNGGZFMMCJD-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001431235027 928005238 /nfs/dbraw/zinc/00/52/38/928005238.db2.gz YCKYZTOKVPITSW-SNVBAGLBSA-N 1 1 309.326 -1.125 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001431235025 928006074 /nfs/dbraw/zinc/00/60/74/928006074.db2.gz YCKYZTOKVPITSW-JTQLQIEISA-N 1 1 309.326 -1.125 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)Cn2ncnn2)C1 ZINC001431270650 928007551 /nfs/dbraw/zinc/00/75/51/928007551.db2.gz QASPVKZFYCLQBG-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO CC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431317854 928011525 /nfs/dbraw/zinc/01/15/25/928011525.db2.gz NSVXUEPWUWCOSF-GFCCVEGCSA-N 1 1 314.386 -1.630 20 0 DAADMO CC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431317854 928011537 /nfs/dbraw/zinc/01/15/37/928011537.db2.gz NSVXUEPWUWCOSF-GFCCVEGCSA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431362701 928012784 /nfs/dbraw/zinc/01/27/84/928012784.db2.gz ZCKYUZJMQZMVSL-QWRGUYRKSA-N 1 1 313.402 -1.088 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001431381019 928015057 /nfs/dbraw/zinc/01/50/57/928015057.db2.gz KZOIZMHVZDDTGT-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001431415390 928017054 /nfs/dbraw/zinc/01/70/54/928017054.db2.gz CKJSQEVSJSRAFV-NSHDSACASA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431417277 928019434 /nfs/dbraw/zinc/01/94/34/928019434.db2.gz ZXSICYPKSQBOQC-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431417277 928019449 /nfs/dbraw/zinc/01/94/49/928019449.db2.gz ZXSICYPKSQBOQC-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431417274 928020783 /nfs/dbraw/zinc/02/07/83/928020783.db2.gz ZXSICYPKSQBOQC-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431417274 928020798 /nfs/dbraw/zinc/02/07/98/928020798.db2.gz ZXSICYPKSQBOQC-QWRGUYRKSA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431431080 928021227 /nfs/dbraw/zinc/02/12/27/928021227.db2.gz GNMOWKKBZFMRSE-VIFPVBQESA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431431080 928021240 /nfs/dbraw/zinc/02/12/40/928021240.db2.gz GNMOWKKBZFMRSE-VIFPVBQESA-N 1 1 311.346 -2.271 20 0 DAADMO CN(CCNC(=O)c1ncccn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431460392 928024194 /nfs/dbraw/zinc/02/41/94/928024194.db2.gz REZFAORUDQXQJX-LLVKDONJSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1ncccn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431460392 928024208 /nfs/dbraw/zinc/02/42/08/928024208.db2.gz REZFAORUDQXQJX-LLVKDONJSA-N 1 1 307.354 -1.005 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001431478197 928029498 /nfs/dbraw/zinc/02/94/98/928029498.db2.gz CCFZYOBOMKARRO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001431478008 928030158 /nfs/dbraw/zinc/03/01/58/928030158.db2.gz BDFJJYYRFKSSLR-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001431478008 928030174 /nfs/dbraw/zinc/03/01/74/928030174.db2.gz BDFJJYYRFKSSLR-ZJUUUORDSA-N 1 1 313.358 -2.427 20 0 DAADMO CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001431489232 928035197 /nfs/dbraw/zinc/03/51/97/928035197.db2.gz CPHQEIMWRZWZDL-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001431494062 928036940 /nfs/dbraw/zinc/03/69/40/928036940.db2.gz CTUFXRZKQSJVPJ-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cccn2)C1 ZINC001431507827 928043720 /nfs/dbraw/zinc/04/37/20/928043720.db2.gz NBEPIDQORCRVST-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509196 928045876 /nfs/dbraw/zinc/04/58/76/928045876.db2.gz OTGRKRUUSUHFMM-QWRGUYRKSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509196 928045890 /nfs/dbraw/zinc/04/58/90/928045890.db2.gz OTGRKRUUSUHFMM-QWRGUYRKSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509191 928046560 /nfs/dbraw/zinc/04/65/60/928046560.db2.gz OTGRKRUUSUHFMM-MNOVXSKESA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509191 928046575 /nfs/dbraw/zinc/04/65/75/928046575.db2.gz OTGRKRUUSUHFMM-MNOVXSKESA-N 1 1 317.361 -1.340 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001431529207 928051027 /nfs/dbraw/zinc/05/10/27/928051027.db2.gz IZSNBODGSJCTAW-NSHDSACASA-N 1 1 312.370 -1.054 20 0 DAADMO O=C(CN1CCCC1)NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431534838 928051640 /nfs/dbraw/zinc/05/16/40/928051640.db2.gz BBSKMLFURWSEBT-ZDUSSCGKSA-N 1 1 324.425 -1.229 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]n1)C1CCC1 ZINC001431538011 928054891 /nfs/dbraw/zinc/05/48/91/928054891.db2.gz LWKVDJREEXQJOG-LLVKDONJSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](O)CNC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001431538011 928054903 /nfs/dbraw/zinc/05/49/03/928054903.db2.gz LWKVDJREEXQJOG-LLVKDONJSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc1nnc[nH]1)C1CCC1 ZINC001431538011 928054915 /nfs/dbraw/zinc/05/49/15/928054915.db2.gz LWKVDJREEXQJOG-LLVKDONJSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001431540724 928056021 /nfs/dbraw/zinc/05/60/21/928056021.db2.gz GYFBUIYQIQBHFJ-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)COCC(F)F)C1 ZINC001431544439 928058639 /nfs/dbraw/zinc/05/86/39/928058639.db2.gz KSZWKDKFLRQRDX-UWVGGRQHSA-N 1 1 323.340 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)COCC(F)F)C1 ZINC001431544452 928058673 /nfs/dbraw/zinc/05/86/73/928058673.db2.gz KSZWKDKFLRQRDX-ZJUUUORDSA-N 1 1 323.340 -1.187 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001431547115 928059291 /nfs/dbraw/zinc/05/92/91/928059291.db2.gz LVLHPCLPNOQLIK-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547115 928059303 /nfs/dbraw/zinc/05/93/03/928059303.db2.gz LVLHPCLPNOQLIK-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547115 928059315 /nfs/dbraw/zinc/05/93/15/928059315.db2.gz LVLHPCLPNOQLIK-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2n[nH]cc2F)C1 ZINC001431551527 928060448 /nfs/dbraw/zinc/06/04/48/928060448.db2.gz QXAPUJSBWQAZNR-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551527 928060460 /nfs/dbraw/zinc/06/04/60/928060460.db2.gz QXAPUJSBWQAZNR-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551527 928060469 /nfs/dbraw/zinc/06/04/69/928060469.db2.gz QXAPUJSBWQAZNR-BDAKNGLRSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431547075 928060515 /nfs/dbraw/zinc/06/05/15/928060515.db2.gz MVBUFOBJECDWLG-WDEREUQCSA-N 1 1 310.358 -2.177 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001431555358 928063173 /nfs/dbraw/zinc/06/31/73/928063173.db2.gz XGCQBBOZPUVIMN-QWRGUYRKSA-N 1 1 324.385 -1.543 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1csnn1 ZINC001431567151 928065058 /nfs/dbraw/zinc/06/50/58/928065058.db2.gz LBSSJHQDOGCUQB-VIFPVBQESA-N 1 1 324.366 -1.050 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)COCC(F)F ZINC001431565027 928065763 /nfs/dbraw/zinc/06/57/63/928065763.db2.gz WETAUHRCJNBXBP-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431577994 928069604 /nfs/dbraw/zinc/06/96/04/928069604.db2.gz XKZYFQITGQHKFJ-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431577993 928069877 /nfs/dbraw/zinc/06/98/77/928069877.db2.gz XKZYFQITGQHKFJ-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001431625141 928074636 /nfs/dbraw/zinc/07/46/36/928074636.db2.gz NGKYAPXFSJOJNP-UTLUCORTSA-N 1 1 315.374 -2.005 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H](C)NC(N)=O ZINC001431625141 928074648 /nfs/dbraw/zinc/07/46/48/928074648.db2.gz NGKYAPXFSJOJNP-UTLUCORTSA-N 1 1 315.374 -2.005 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001431653042 928076791 /nfs/dbraw/zinc/07/67/91/928076791.db2.gz MMBBOPSKINUEFR-GMTAPVOTSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431694255 928078984 /nfs/dbraw/zinc/07/89/84/928078984.db2.gz RHWPUSBRXRCZPL-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001431686723 928079409 /nfs/dbraw/zinc/07/94/09/928079409.db2.gz CLZSCXPISXSKSY-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)CCNC(N)=O)C1 ZINC001432018261 928098227 /nfs/dbraw/zinc/09/82/27/928098227.db2.gz XTKXIRGYQDWWNT-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC001432042927 928101134 /nfs/dbraw/zinc/10/11/34/928101134.db2.gz JOYQOXOZIUJMPO-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)CNC(N)=O)C1 ZINC001432107419 928104310 /nfs/dbraw/zinc/10/43/10/928104310.db2.gz UZOROSDIYJXFSO-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CNC(=O)NC ZINC001432131258 928107263 /nfs/dbraw/zinc/10/72/63/928107263.db2.gz XBDIGUMMMYPVKL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)CCn3cnnn3)CC2)C1 ZINC001432190210 928111026 /nfs/dbraw/zinc/11/10/26/928111026.db2.gz RZNIKBHZFRPJSJ-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001432215765 928117019 /nfs/dbraw/zinc/11/70/19/928117019.db2.gz IDOYQBLPOMSXQD-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC001432220453 928117432 /nfs/dbraw/zinc/11/74/32/928117432.db2.gz TYFUUUKFJFLIAO-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001432245911 928121552 /nfs/dbraw/zinc/12/15/52/928121552.db2.gz VNTNDSBAPLTRAD-MWLCHTKSSA-N 1 1 311.386 -1.417 20 0 DAADMO O=C(CCN1CCOCC1)NC1(CNC(=O)c2nc[nH]n2)CC1 ZINC001432265855 928124113 /nfs/dbraw/zinc/12/41/13/928124113.db2.gz GJSCPOXAQXVNGY-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001432285106 928126948 /nfs/dbraw/zinc/12/69/48/928126948.db2.gz JRXNVFHDFOMGJZ-UHFFFAOYSA-N 1 1 322.369 -1.224 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)c2cn[nH]n2)C1 ZINC001432284891 928126971 /nfs/dbraw/zinc/12/69/71/928126971.db2.gz IGUXJSIKINTEGN-UHFFFAOYSA-N 1 1 308.342 -1.532 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001432314750 928130623 /nfs/dbraw/zinc/13/06/23/928130623.db2.gz DJUQOAZUJRBEQB-OUAUKWLOSA-N 1 1 308.382 -1.033 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001432304871 928131426 /nfs/dbraw/zinc/13/14/26/928131426.db2.gz WOOPMMMJKNLFPX-UHFFFAOYSA-N 1 1 310.358 -1.348 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001432349993 928134774 /nfs/dbraw/zinc/13/47/74/928134774.db2.gz LVOSSFROHNGPDZ-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001432422041 928147071 /nfs/dbraw/zinc/14/70/71/928147071.db2.gz UYNWIGWFAIAKMD-VIFPVBQESA-N 1 1 322.369 -1.177 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001432462066 928151355 /nfs/dbraw/zinc/15/13/55/928151355.db2.gz QEITXVSAHXXVCZ-JTQLQIEISA-N 1 1 321.385 -1.260 20 0 DAADMO CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001432561302 928158720 /nfs/dbraw/zinc/15/87/20/928158720.db2.gz WKRJTEIIDJYBRO-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001432561302 928158726 /nfs/dbraw/zinc/15/87/26/928158726.db2.gz WKRJTEIIDJYBRO-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001432639668 928160427 /nfs/dbraw/zinc/16/04/27/928160427.db2.gz PEVQZELCRGAQBM-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(=O)NC ZINC001432690709 928162757 /nfs/dbraw/zinc/16/27/57/928162757.db2.gz GFRSEBAJVAWWKE-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CC[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432775082 928165432 /nfs/dbraw/zinc/16/54/32/928165432.db2.gz DVSRKZCPRMOPPM-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783715 928166376 /nfs/dbraw/zinc/16/63/76/928166376.db2.gz BFDKFGLCHFACFC-TVQRCGJNSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783715 928166384 /nfs/dbraw/zinc/16/63/84/928166384.db2.gz BFDKFGLCHFACFC-TVQRCGJNSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001432804168 928168190 /nfs/dbraw/zinc/16/81/90/928168190.db2.gz QRUIDHGOJXIHBZ-AWEZNQCLSA-N 1 1 322.369 -1.406 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)Cn1cnnn1 ZINC001433141144 928178733 /nfs/dbraw/zinc/17/87/33/928178733.db2.gz YANDOADUYORPDX-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001433188706 928180565 /nfs/dbraw/zinc/18/05/65/928180565.db2.gz OMURMUNGGCSCNN-UHFFFAOYSA-N 1 1 320.357 -1.054 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001433188135 928180660 /nfs/dbraw/zinc/18/06/60/928180660.db2.gz LAJIAMDXEACMNB-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001433188137 928180995 /nfs/dbraw/zinc/18/09/95/928180995.db2.gz LAJIAMDXEACMNB-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)NC[C@H](O)CNC(=O)C1CC1 ZINC001433212712 928182823 /nfs/dbraw/zinc/18/28/23/928182823.db2.gz OYLLPOOZSZMHAA-CHWSQXEVSA-N 1 1 323.397 -1.183 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCOC)C1 ZINC001433215055 928182954 /nfs/dbraw/zinc/18/29/54/928182954.db2.gz VMGFCAQIDMFPTK-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)CCOC)C1 ZINC001433215055 928182962 /nfs/dbraw/zinc/18/29/62/928182962.db2.gz VMGFCAQIDMFPTK-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCOC)C1 ZINC001433215062 928183823 /nfs/dbraw/zinc/18/38/23/928183823.db2.gz VMGFCAQIDMFPTK-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)CCOC)C1 ZINC001433215062 928183831 /nfs/dbraw/zinc/18/38/31/928183831.db2.gz VMGFCAQIDMFPTK-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001433237977 928190720 /nfs/dbraw/zinc/19/07/20/928190720.db2.gz IYXILSCPYQNONU-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccon2)C1 ZINC001433255460 928196150 /nfs/dbraw/zinc/19/61/50/928196150.db2.gz NMQBGXJBRSIXBO-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccon2)C1 ZINC001433255460 928196155 /nfs/dbraw/zinc/19/61/55/928196155.db2.gz NMQBGXJBRSIXBO-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001433260115 928201552 /nfs/dbraw/zinc/20/15/52/928201552.db2.gz HMJKGFACNLHHQW-NXEZZACHSA-N 1 1 315.374 -2.397 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)CCC1 ZINC001433294862 928212620 /nfs/dbraw/zinc/21/26/20/928212620.db2.gz CRFYOJWLFWKORU-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433313625 928215090 /nfs/dbraw/zinc/21/50/90/928215090.db2.gz CVACMSZHEUOZAB-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001433328896 928218370 /nfs/dbraw/zinc/21/83/70/928218370.db2.gz WOULTVYYEGVMIC-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001433332746 928219671 /nfs/dbraw/zinc/21/96/71/928219671.db2.gz BUYLJXDEGKCZIF-SECBINFHSA-N 1 1 313.362 -2.241 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433378375 928223576 /nfs/dbraw/zinc/22/35/76/928223576.db2.gz ZLMGHBKZKTUJTI-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)Cn1nccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433378375 928223590 /nfs/dbraw/zinc/22/35/90/928223590.db2.gz ZLMGHBKZKTUJTI-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001433426369 928225226 /nfs/dbraw/zinc/22/52/26/928225226.db2.gz JXXSRVWCJAZNJF-GMTAPVOTSA-N 1 1 319.427 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001433421876 928225649 /nfs/dbraw/zinc/22/56/49/928225649.db2.gz VCARLUGDZXWZQJ-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001433487507 928230030 /nfs/dbraw/zinc/23/00/30/928230030.db2.gz QNZYHWBQINEKMS-PSASIEDQSA-N 1 1 308.342 -1.506 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CN1CN=NC1=O ZINC001433552871 928238462 /nfs/dbraw/zinc/23/84/62/928238462.db2.gz XQNBIQRPKGGZPF-JTQLQIEISA-N 1 1 312.374 -1.055 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001433589807 928243379 /nfs/dbraw/zinc/24/33/79/928243379.db2.gz WNTBKEASHPZJOT-GARJFASQSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001433589807 928243390 /nfs/dbraw/zinc/24/33/90/928243390.db2.gz WNTBKEASHPZJOT-GARJFASQSA-N 1 1 312.370 -1.784 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC001433704530 928255451 /nfs/dbraw/zinc/25/54/51/928255451.db2.gz NYXWIYACYNWIGI-NSHDSACASA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001433735362 928259568 /nfs/dbraw/zinc/25/95/68/928259568.db2.gz WZPXUQXTKCMARZ-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1C(=O)[C@H](C)NC(N)=O ZINC001433765519 928262699 /nfs/dbraw/zinc/26/26/99/928262699.db2.gz IMQFITXGTRDJKO-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(CNC(=O)Cn3cnnn3)CC2)C1 ZINC001433837098 928270824 /nfs/dbraw/zinc/27/08/24/928270824.db2.gz XUDTVYBQHYZJIN-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001433853574 928272654 /nfs/dbraw/zinc/27/26/54/928272654.db2.gz GPWKSZBXYBJCPL-WISYIIOYSA-N 1 1 300.355 -1.034 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)CN3CN=NC3=O)CC2)C1 ZINC001433893632 928275787 /nfs/dbraw/zinc/27/57/87/928275787.db2.gz OHDBYLVUMFPJMG-JTQLQIEISA-N 1 1 322.369 -1.300 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NC(=O)CNC(N)=O)CC2)C1 ZINC001433946856 928283785 /nfs/dbraw/zinc/28/37/85/928283785.db2.gz MYQAPIBPGBMYMC-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001433961592 928286104 /nfs/dbraw/zinc/28/61/04/928286104.db2.gz AAHQNTRDXOOMSB-IHRRRGAJSA-N 1 1 324.381 -1.483 20 0 DAADMO O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001433961598 928288216 /nfs/dbraw/zinc/28/82/16/928288216.db2.gz AAHQNTRDXOOMSB-MCIONIFRSA-N 1 1 324.381 -1.483 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC001434063537 928298263 /nfs/dbraw/zinc/29/82/63/928298263.db2.gz JPKALEBQZRWHOG-UHFFFAOYSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)N1CC[NH+](C)CC1 ZINC001434071052 928300669 /nfs/dbraw/zinc/30/06/69/928300669.db2.gz JAUUQZWJUAKFQW-LLVKDONJSA-N 1 1 311.386 -2.222 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001434071109 928301007 /nfs/dbraw/zinc/30/10/07/928301007.db2.gz ZWCOBIAPYGKTMM-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001434095925 928304264 /nfs/dbraw/zinc/30/42/64/928304264.db2.gz JRFKRFKRUCQRLW-NSHDSACASA-N 1 1 315.370 -1.298 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001434102498 928304858 /nfs/dbraw/zinc/30/48/58/928304858.db2.gz QJBZFHVQCVHFAS-VWYCJHECSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001434102498 928304868 /nfs/dbraw/zinc/30/48/68/928304868.db2.gz QJBZFHVQCVHFAS-VWYCJHECSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)[C@@H](C)C[N@H+]1CCO ZINC001434100916 928305489 /nfs/dbraw/zinc/30/54/89/928305489.db2.gz KFNBAIBJALXPCD-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CCC(=O)NC1=O ZINC001434100935 928305576 /nfs/dbraw/zinc/30/55/76/928305576.db2.gz KFNBAIBJALXPCD-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CN1CCCS1(=O)=O ZINC001434104004 928305829 /nfs/dbraw/zinc/30/58/29/928305829.db2.gz YTJVHMSZJHMOHU-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001434234770 928318668 /nfs/dbraw/zinc/31/86/68/928318668.db2.gz WKVAKWRJZLAWDE-PWSUYJOCSA-N 1 1 320.415 -1.774 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 ZINC001434231953 928318943 /nfs/dbraw/zinc/31/89/43/928318943.db2.gz VUXDIINCZHWDLT-QWRGUYRKSA-N 1 1 311.386 -2.475 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC001434275598 928324018 /nfs/dbraw/zinc/32/40/18/928324018.db2.gz JAOHNPFEBTWQIU-UHFFFAOYSA-N 1 1 301.372 -1.024 20 0 DAADMO COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001434297752 928327888 /nfs/dbraw/zinc/32/78/88/928327888.db2.gz GPWKSZBXYBJCPL-DDHJBXDOSA-N 1 1 300.355 -1.034 20 0 DAADMO C[N@@H+](CC(=O)N1CCC(=O)NCC12COC2)[C@@H]1CCC[C@H]1O ZINC001434323110 928332463 /nfs/dbraw/zinc/33/24/63/928332463.db2.gz GPNZXXPBFWPHTG-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329817 928334233 /nfs/dbraw/zinc/33/42/33/928334233.db2.gz AQBXBNGSLNFCPG-WFASDCNBSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329817 928334245 /nfs/dbraw/zinc/33/42/45/928334245.db2.gz AQBXBNGSLNFCPG-WFASDCNBSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001434344536 928336172 /nfs/dbraw/zinc/33/61/72/928336172.db2.gz GNKOVNVNVZKDHN-JTQLQIEISA-N 1 1 322.431 -1.357 20 0 DAADMO C[N@@H+](CC(=O)NCCn1ccc(=O)[nH]c1=O)[C@@H]1CCC[C@H]1O ZINC001434362780 928340608 /nfs/dbraw/zinc/34/06/08/928340608.db2.gz IGSQNMKICPTOJJ-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[N@H+](CCO)CCNC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001434364825 928341135 /nfs/dbraw/zinc/34/11/35/928341135.db2.gz QBFBINUNQLFMKY-UHFFFAOYSA-N 1 1 305.356 -1.127 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001434364825 928341145 /nfs/dbraw/zinc/34/11/45/928341145.db2.gz QBFBINUNQLFMKY-UHFFFAOYSA-N 1 1 305.356 -1.127 20 0 DAADMO C[NH+]1CCN(CC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001434436698 928351492 /nfs/dbraw/zinc/35/14/92/928351492.db2.gz DWAIFQUUVRUMCA-UHFFFAOYSA-N 1 1 307.358 -2.115 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001434478692 928355745 /nfs/dbraw/zinc/35/57/45/928355745.db2.gz AJCONQHJHGPUAJ-GXFFZTMASA-N 1 1 313.354 -1.355 20 0 DAADMO O=S1(=O)CCC(O)(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC001434481049 928357962 /nfs/dbraw/zinc/35/79/62/928357962.db2.gz WWOHCYJAGGIRNX-NWDGAFQWSA-N 1 1 307.412 -1.009 20 0 DAADMO O=S1(=O)CCC(O)(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC001434481049 928357974 /nfs/dbraw/zinc/35/79/74/928357974.db2.gz WWOHCYJAGGIRNX-NWDGAFQWSA-N 1 1 307.412 -1.009 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C1(C(N)=O)CCOCC1)C(=O)N(C)C ZINC001434479510 928358007 /nfs/dbraw/zinc/35/80/07/928358007.db2.gz UNKYGAQGTKSYKL-SECBINFHSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC001434481324 928358312 /nfs/dbraw/zinc/35/83/12/928358312.db2.gz SHSXMVHAYRMHOL-QMTHXVAHSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC001434481324 928358320 /nfs/dbraw/zinc/35/83/20/928358320.db2.gz SHSXMVHAYRMHOL-QMTHXVAHSA-N 1 1 301.387 -1.165 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC(=O)N[C@H](C)C2)CC1 ZINC001434760537 928375845 /nfs/dbraw/zinc/37/58/45/928375845.db2.gz DJGQQVLNLCXOKX-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCOC[C@H]2O)CC1 ZINC001434762530 928377471 /nfs/dbraw/zinc/37/74/71/928377471.db2.gz YVTMQLUCYBEEJW-VXGBXAGGSA-N 1 1 314.386 -1.354 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC1CS(=O)(=O)C1 ZINC001434773013 928379015 /nfs/dbraw/zinc/37/90/15/928379015.db2.gz BJQKVEAPSACOAR-LBPRGKRZSA-N 1 1 318.443 -1.034 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N(C)CCS(N)(=O)=O)C1 ZINC001434778505 928379683 /nfs/dbraw/zinc/37/96/83/928379683.db2.gz YLOKEBIQOSQBNL-JTQLQIEISA-N 1 1 308.404 -1.363 20 0 DAADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)NC(CO)CO ZINC001434809811 928382364 /nfs/dbraw/zinc/38/23/64/928382364.db2.gz YFJXBGRKAPLXMH-UHFFFAOYSA-N 1 1 317.386 -1.480 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001434846965 928388658 /nfs/dbraw/zinc/38/86/58/928388658.db2.gz YADZNGFLGUYTAM-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001434846112 928388682 /nfs/dbraw/zinc/38/86/82/928388682.db2.gz DIVZWOPHAPFGMM-VIFPVBQESA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1cnn(CCC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c1=O ZINC001434846196 928389236 /nfs/dbraw/zinc/38/92/36/928389236.db2.gz REYKKOUXBMQGAQ-UHFFFAOYSA-N 1 1 309.370 -1.502 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001435568210 928391659 /nfs/dbraw/zinc/39/16/59/928391659.db2.gz YWKKTXWZFUFPHR-MNOVXSKESA-N 1 1 307.358 -1.386 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001435568210 928391677 /nfs/dbraw/zinc/39/16/77/928391677.db2.gz YWKKTXWZFUFPHR-MNOVXSKESA-N 1 1 307.358 -1.386 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001436329400 928392685 /nfs/dbraw/zinc/39/26/85/928392685.db2.gz LDGWRQNUJYKEJF-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001436329400 928392695 /nfs/dbraw/zinc/39/26/95/928392695.db2.gz LDGWRQNUJYKEJF-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001436395202 928397326 /nfs/dbraw/zinc/39/73/26/928397326.db2.gz FXAXGUCSXMZZNT-XYPYZODXSA-N 1 1 321.385 -1.143 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]Cc1cc(=O)[nH]c(CNC(=O)COC)n1 ZINC001436442716 928398759 /nfs/dbraw/zinc/39/87/59/928398759.db2.gz XHJZJSGMKZMZMP-QMMMGPOBSA-N 1 1 311.342 -1.331 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)NC)CC[N@H+]1CCCO ZINC001436448266 928398959 /nfs/dbraw/zinc/39/89/59/928398959.db2.gz ZPINDZFVSDPIBV-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001436483252 928399264 /nfs/dbraw/zinc/39/92/64/928399264.db2.gz JNWIFSPVFRMVFL-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC001436483252 928399274 /nfs/dbraw/zinc/39/92/74/928399274.db2.gz JNWIFSPVFRMVFL-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001436479062 928399334 /nfs/dbraw/zinc/39/93/34/928399334.db2.gz ODEXRFBZYKRYQO-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001436479062 928399349 /nfs/dbraw/zinc/39/93/49/928399349.db2.gz ODEXRFBZYKRYQO-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001436451270 928400152 /nfs/dbraw/zinc/40/01/52/928400152.db2.gz NUYPVZSDADFTKC-LBPRGKRZSA-N 1 1 316.402 -1.417 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](N(CCO)CC(N)=O)C2)C1 ZINC001436457125 928400308 /nfs/dbraw/zinc/40/03/08/928400308.db2.gz IULDPIZDKBJUGL-OLZOCXBDSA-N 1 1 312.414 -1.291 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001436456245 928400920 /nfs/dbraw/zinc/40/09/20/928400920.db2.gz BESJMBXAZICBFB-NEPJUHHUSA-N 1 1 319.427 -1.302 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001436692626 928401927 /nfs/dbraw/zinc/40/19/27/928401927.db2.gz NGLLYVCOKZLXJU-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001436692626 928401933 /nfs/dbraw/zinc/40/19/33/928401933.db2.gz NGLLYVCOKZLXJU-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(N(C)C(=O)c2nc[nH]n2)CC1 ZINC001436667484 928402744 /nfs/dbraw/zinc/40/27/44/928402744.db2.gz HOJNVHOAYIDNJJ-MRVPVSSYSA-N 1 1 323.357 -1.076 20 0 DAADMO COCC(=O)N[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001436696813 928403646 /nfs/dbraw/zinc/40/36/46/928403646.db2.gz GMAMGSQEVHIYGA-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO COCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001436696813 928403656 /nfs/dbraw/zinc/40/36/56/928403656.db2.gz GMAMGSQEVHIYGA-NSHDSACASA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001436706358 928404789 /nfs/dbraw/zinc/40/47/89/928404789.db2.gz RSMJHDPGZAJIBQ-ZDUSSCGKSA-N 1 1 311.430 -1.453 20 0 DAADMO CNC(=O)CN1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001436700222 928405684 /nfs/dbraw/zinc/40/56/84/928405684.db2.gz SDWURWKYKBLKCV-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO CC(=O)NCC[NH+]1CCN(CCN2CCCS2(=O)=O)CC1 ZINC001436701401 928405898 /nfs/dbraw/zinc/40/58/98/928405898.db2.gz YXXXUZLQMOZLBX-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001436722521 928408330 /nfs/dbraw/zinc/40/83/30/928408330.db2.gz WIAJFGVEFGODAZ-PSASIEDQSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001436722521 928408341 /nfs/dbraw/zinc/40/83/41/928408341.db2.gz WIAJFGVEFGODAZ-PSASIEDQSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001436799686 928410629 /nfs/dbraw/zinc/41/06/29/928410629.db2.gz ZQZNMFSHVYICJK-SNVBAGLBSA-N 1 1 309.374 -1.272 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001436805006 928411102 /nfs/dbraw/zinc/41/11/02/928411102.db2.gz ALFDSUAZHHIGAX-VHSXEESVSA-N 1 1 307.358 -1.519 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001436745815 928412223 /nfs/dbraw/zinc/41/22/23/928412223.db2.gz GZDCXMLEYBDYRA-SNVBAGLBSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001436799671 928412607 /nfs/dbraw/zinc/41/26/07/928412607.db2.gz ZQZNMFSHVYICJK-JTQLQIEISA-N 1 1 309.374 -1.272 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001436809917 928414701 /nfs/dbraw/zinc/41/47/01/928414701.db2.gz LCTREUYJIVDEIL-VIFPVBQESA-N 1 1 318.341 -1.408 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001436889726 928415958 /nfs/dbraw/zinc/41/59/58/928415958.db2.gz OKGOXFDZBPMTCI-CIUDSAMLSA-N 1 1 311.346 -1.136 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001436941917 928417768 /nfs/dbraw/zinc/41/77/68/928417768.db2.gz WAOLFDXUPSHQHR-IEBDPFPHSA-N 1 1 309.374 -1.014 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001437000613 928420578 /nfs/dbraw/zinc/42/05/78/928420578.db2.gz WQXQRJLARDJHLN-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001437000613 928420583 /nfs/dbraw/zinc/42/05/83/928420583.db2.gz WQXQRJLARDJHLN-LLVKDONJSA-N 1 1 314.386 -1.595 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001436978171 928421041 /nfs/dbraw/zinc/42/10/41/928421041.db2.gz OPKHSQJFLMKLDM-AOOOYVTPSA-N 1 1 315.399 -1.013 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001436990666 928421245 /nfs/dbraw/zinc/42/12/45/928421245.db2.gz ZXZHTDCFBOGQMX-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)NC(N)=O ZINC001437068242 928423100 /nfs/dbraw/zinc/42/31/00/928423100.db2.gz PDRSTSNRLUVSQJ-GPTQDWHKSA-N 1 1 309.370 -1.632 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001437068754 928423293 /nfs/dbraw/zinc/42/32/93/928423293.db2.gz JHWFGFREXSZWRG-SSKLVLDBSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078804 928423345 /nfs/dbraw/zinc/42/33/45/928423345.db2.gz KPSGHQJCPRMPDQ-KUNJHIDRSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078804 928423357 /nfs/dbraw/zinc/42/33/57/928423357.db2.gz KPSGHQJCPRMPDQ-KUNJHIDRSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001437067377 928423515 /nfs/dbraw/zinc/42/35/15/928423515.db2.gz BUNQUEREIGUQRY-PREPNJAASA-N 1 1 323.397 -1.290 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001437061522 928423725 /nfs/dbraw/zinc/42/37/25/928423725.db2.gz SMSFKTXBAXHRES-BQSNPHCVSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001437061562 928424103 /nfs/dbraw/zinc/42/41/03/928424103.db2.gz WPYNXLNMFAUJFB-FBDQPXRJSA-N 1 1 310.354 -1.205 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC001437061562 928424110 /nfs/dbraw/zinc/42/41/10/928424110.db2.gz WPYNXLNMFAUJFB-FBDQPXRJSA-N 1 1 310.354 -1.205 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001437061530 928424861 /nfs/dbraw/zinc/42/48/61/928424861.db2.gz SMSFKTXBAXHRES-ZMHPAJMFSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001437061526 928425132 /nfs/dbraw/zinc/42/51/32/928425132.db2.gz SMSFKTXBAXHRES-WSLQDRLSSA-N 1 1 308.382 -1.164 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437125750 928429681 /nfs/dbraw/zinc/42/96/81/928429681.db2.gz CGROYOVSKPZKGE-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+][C@@H](C)c1nnnn1C ZINC001437127166 928429932 /nfs/dbraw/zinc/42/99/32/928429932.db2.gz PPMFCYHLWSJNSC-QWRGUYRKSA-N 1 1 311.390 -1.302 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001437164279 928433249 /nfs/dbraw/zinc/43/32/49/928433249.db2.gz OWDMLJOMPOZLDQ-NXEZZACHSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C(C)(C)C ZINC001437194899 928434610 /nfs/dbraw/zinc/43/46/10/928434610.db2.gz KGLHCDGFGUMOIF-DTWKUNHWSA-N 1 1 324.389 -1.296 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001437201244 928435079 /nfs/dbraw/zinc/43/50/79/928435079.db2.gz KPBJZNDRKIPINS-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCS(C)(=O)=O ZINC001437196841 928435637 /nfs/dbraw/zinc/43/56/37/928435637.db2.gz FREPIKGOGNMQOU-MRVPVSSYSA-N 1 1 304.372 -1.122 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001437201242 928435723 /nfs/dbraw/zinc/43/57/23/928435723.db2.gz KPBJZNDRKIPINS-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001437184048 928435965 /nfs/dbraw/zinc/43/59/65/928435965.db2.gz FINFXHORQNWSIA-VIFPVBQESA-N 1 1 318.403 -1.932 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ncnn1CCF ZINC001437199372 928436242 /nfs/dbraw/zinc/43/62/42/928436242.db2.gz BPVKVIDJLLMPNX-AEJSXWLSSA-N 1 1 312.349 -1.037 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001437247589 928438086 /nfs/dbraw/zinc/43/80/86/928438086.db2.gz KXDRFIHNEQXLOW-DTWKUNHWSA-N 1 1 312.378 -1.359 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437221165 928438655 /nfs/dbraw/zinc/43/86/55/928438655.db2.gz FNENPMIPXFJNRX-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437221165 928438661 /nfs/dbraw/zinc/43/86/61/928438661.db2.gz FNENPMIPXFJNRX-VHSXEESVSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NCc1nnn(C)n1 ZINC001437227453 928438924 /nfs/dbraw/zinc/43/89/24/928438924.db2.gz MFLSAYRGCIPGOF-LLVKDONJSA-N 1 1 311.390 -1.473 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001437327890 928445688 /nfs/dbraw/zinc/44/56/88/928445688.db2.gz FCMOSNUXBHGZTI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001437327890 928445695 /nfs/dbraw/zinc/44/56/95/928445695.db2.gz FCMOSNUXBHGZTI-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001437355815 928446377 /nfs/dbraw/zinc/44/63/77/928446377.db2.gz XUVLLDRBMBCPRC-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001437355815 928446389 /nfs/dbraw/zinc/44/63/89/928446389.db2.gz XUVLLDRBMBCPRC-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO Cn1c(=O)cc(C[N@H+](C)CCNC(=O)C(F)F)n(C)c1=O ZINC001437432523 928447873 /nfs/dbraw/zinc/44/78/73/928447873.db2.gz XHMMMZIKAJXBIV-UHFFFAOYSA-N 1 1 304.297 -1.103 20 0 DAADMO Cn1c(=O)cc(C[N@@H+](C)CCNC(=O)C(F)F)n(C)c1=O ZINC001437432523 928447887 /nfs/dbraw/zinc/44/78/87/928447887.db2.gz XHMMMZIKAJXBIV-UHFFFAOYSA-N 1 1 304.297 -1.103 20 0 DAADMO Cc1c(C(=O)NCC[C@H](C)[NH2+]Cc2nnn(C)n2)nnn1C ZINC001437369954 928448338 /nfs/dbraw/zinc/44/83/38/928448338.db2.gz VLJJHXJIYQMROM-QMMMGPOBSA-N 1 1 307.362 -1.055 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001437425610 928448915 /nfs/dbraw/zinc/44/89/15/928448915.db2.gz JPDWYCJZLQVYJF-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437430798 928449589 /nfs/dbraw/zinc/44/95/89/928449589.db2.gz IZDFLQUNJAEINH-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437430798 928449596 /nfs/dbraw/zinc/44/95/96/928449596.db2.gz IZDFLQUNJAEINH-CMPLNLGQSA-N 1 1 319.427 -1.006 20 0 DAADMO C[N@H+](CCNC(=O)c1cnccn1)CCNS(C)(=O)=O ZINC001437432720 928450740 /nfs/dbraw/zinc/45/07/40/928450740.db2.gz WJFNCELGFXIJCC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnccn1)CCNS(C)(=O)=O ZINC001437432720 928450743 /nfs/dbraw/zinc/45/07/43/928450743.db2.gz WJFNCELGFXIJCC-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)nnn1C ZINC001437450889 928450927 /nfs/dbraw/zinc/45/09/27/928450927.db2.gz NVJFJFVPUUYOEO-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001437458844 928451143 /nfs/dbraw/zinc/45/11/43/928451143.db2.gz QMDKWNYTWANIJQ-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001437458844 928451146 /nfs/dbraw/zinc/45/11/46/928451146.db2.gz QMDKWNYTWANIJQ-DTWKUNHWSA-N 1 1 314.342 -1.429 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cncnc1 ZINC001437450490 928451690 /nfs/dbraw/zinc/45/16/90/928451690.db2.gz FEEDLSNGYYSHRG-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cncnc1 ZINC001437450490 928451702 /nfs/dbraw/zinc/45/17/02/928451702.db2.gz FEEDLSNGYYSHRG-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437446025 928451909 /nfs/dbraw/zinc/45/19/09/928451909.db2.gz AVABXGACKOIAHO-ZJUUUORDSA-N 1 1 321.399 -1.607 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437446025 928451920 /nfs/dbraw/zinc/45/19/20/928451920.db2.gz AVABXGACKOIAHO-ZJUUUORDSA-N 1 1 321.399 -1.607 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437452969 928452135 /nfs/dbraw/zinc/45/21/35/928452135.db2.gz SDBUFHHQWORGDT-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001437452969 928452144 /nfs/dbraw/zinc/45/21/44/928452144.db2.gz SDBUFHHQWORGDT-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001437436274 928452338 /nfs/dbraw/zinc/45/23/38/928452338.db2.gz XQVUKAVHASKEMX-UHFFFAOYSA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC001437436274 928452347 /nfs/dbraw/zinc/45/23/47/928452347.db2.gz XQVUKAVHASKEMX-UHFFFAOYSA-N 1 1 313.358 -1.984 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)n1 ZINC001437458118 928453291 /nfs/dbraw/zinc/45/32/91/928453291.db2.gz PYUQRORGAQQMJL-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)n1 ZINC001437458118 928453299 /nfs/dbraw/zinc/45/32/99/928453299.db2.gz PYUQRORGAQQMJL-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001437467605 928454218 /nfs/dbraw/zinc/45/42/18/928454218.db2.gz YXWAMVXYPFVECW-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001437467605 928454223 /nfs/dbraw/zinc/45/42/23/928454223.db2.gz YXWAMVXYPFVECW-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437478049 928454675 /nfs/dbraw/zinc/45/46/75/928454675.db2.gz DVZWEHCUTQULPD-SNVBAGLBSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437478049 928454690 /nfs/dbraw/zinc/45/46/90/928454690.db2.gz DVZWEHCUTQULPD-SNVBAGLBSA-N 1 1 324.385 -1.098 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001437470955 928455402 /nfs/dbraw/zinc/45/54/02/928455402.db2.gz KQBDQCXTCVARFH-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001437470955 928455406 /nfs/dbraw/zinc/45/54/06/928455406.db2.gz KQBDQCXTCVARFH-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO C[N@H+](CCNC(=O)c1ccnc2n[nH]nc21)[C@H]1CCNC1=O ZINC001437490463 928455546 /nfs/dbraw/zinc/45/55/46/928455546.db2.gz JVBFXOHQZWBVPW-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccnc2n[nH]nc21)[C@H]1CCNC1=O ZINC001437490463 928455551 /nfs/dbraw/zinc/45/55/51/928455551.db2.gz JVBFXOHQZWBVPW-VIFPVBQESA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1=O)CCn1cncn1 ZINC001437470674 928455598 /nfs/dbraw/zinc/45/55/98/928455598.db2.gz GLPAZJTXFIYITM-UHFFFAOYSA-N 1 1 310.358 -1.815 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486377 928456058 /nfs/dbraw/zinc/45/60/58/928456058.db2.gz YVKHWRYHSSHZRD-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001437486377 928456063 /nfs/dbraw/zinc/45/60/63/928456063.db2.gz YVKHWRYHSSHZRD-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO C[N@H+](CCNC(=O)c1ccnc2n[nH]nc21)[C@@H]1CCNC1=O ZINC001437490462 928456099 /nfs/dbraw/zinc/45/60/99/928456099.db2.gz JVBFXOHQZWBVPW-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccnc2n[nH]nc21)[C@@H]1CCNC1=O ZINC001437490462 928456104 /nfs/dbraw/zinc/45/61/04/928456104.db2.gz JVBFXOHQZWBVPW-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001437486595 928456296 /nfs/dbraw/zinc/45/62/96/928456296.db2.gz WQVLPOMJOKYPFB-IUCAKERBSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001437486595 928456302 /nfs/dbraw/zinc/45/63/02/928456302.db2.gz WQVLPOMJOKYPFB-IUCAKERBSA-N 1 1 310.358 -1.532 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001437467584 928456806 /nfs/dbraw/zinc/45/68/06/928456806.db2.gz YXWAMVXYPFVECW-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001437467584 928456813 /nfs/dbraw/zinc/45/68/13/928456813.db2.gz YXWAMVXYPFVECW-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)c1nnn(C)n1)CS(C)(=O)=O ZINC001437502412 928458325 /nfs/dbraw/zinc/45/83/25/928458325.db2.gz UFGINMPCJBYQGA-SECBINFHSA-N 1 1 318.403 -1.448 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)c1nnn(C)n1)CS(C)(=O)=O ZINC001437502412 928458336 /nfs/dbraw/zinc/45/83/36/928458336.db2.gz UFGINMPCJBYQGA-SECBINFHSA-N 1 1 318.403 -1.448 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)NC1=O ZINC001437503496 928458376 /nfs/dbraw/zinc/45/83/76/928458376.db2.gz GEUYHCSCNVWJPR-LBPRGKRZSA-N 1 1 321.381 -1.043 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C2CCC2)C1=O ZINC001437513251 928459064 /nfs/dbraw/zinc/45/90/64/928459064.db2.gz UHOVHUJGAXKIJJ-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(C2CCC2)C1=O ZINC001437513251 928459071 /nfs/dbraw/zinc/45/90/71/928459071.db2.gz UHOVHUJGAXKIJJ-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437526706 928459556 /nfs/dbraw/zinc/45/95/56/928459556.db2.gz QQLPTTSVNDMWSK-SNVBAGLBSA-N 1 1 308.342 -1.680 20 0 DAADMO CO[C@H](C)C[N@@H+](C)CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001437518634 928459673 /nfs/dbraw/zinc/45/96/73/928459673.db2.gz IVGSUJMHVFWQBL-MRVPVSSYSA-N 1 1 319.387 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001437491904 928459853 /nfs/dbraw/zinc/45/98/53/928459853.db2.gz KPBUVYZAPRDUMX-SECBINFHSA-N 1 1 311.342 -1.869 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001437491904 928459861 /nfs/dbraw/zinc/45/98/61/928459861.db2.gz KPBUVYZAPRDUMX-SECBINFHSA-N 1 1 311.342 -1.869 20 0 DAADMO C[N@H+](CCNC(=O)COCc1cccnc1)CC(=O)NC(N)=O ZINC001437548434 928461634 /nfs/dbraw/zinc/46/16/34/928461634.db2.gz SJFLHQDOZDGMQI-UHFFFAOYSA-N 1 1 323.353 -1.159 20 0 DAADMO C[N@@H+](CCNC(=O)COCc1cccnc1)CC(=O)NC(N)=O ZINC001437548434 928461641 /nfs/dbraw/zinc/46/16/41/928461641.db2.gz SJFLHQDOZDGMQI-UHFFFAOYSA-N 1 1 323.353 -1.159 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)C(=O)NC(N)=O ZINC001437546542 928462062 /nfs/dbraw/zinc/46/20/62/928462062.db2.gz WPWHKTQEIBVBJM-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001437544217 928462255 /nfs/dbraw/zinc/46/22/55/928462255.db2.gz VYVXIIZLBQKHNY-YGRLFVJLSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001437544217 928462258 /nfs/dbraw/zinc/46/22/58/928462258.db2.gz VYVXIIZLBQKHNY-YGRLFVJLSA-N 1 1 312.370 -1.083 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)C(=O)NC(N)=O ZINC001437546538 928462351 /nfs/dbraw/zinc/46/23/51/928462351.db2.gz WPWHKTQEIBVBJM-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)CCN1CCNC1=O ZINC001437573925 928464658 /nfs/dbraw/zinc/46/46/58/928464658.db2.gz LDWYFULHPQPRNY-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C[C@H](C)O ZINC001437605434 928465189 /nfs/dbraw/zinc/46/51/89/928465189.db2.gz BUKVORVHJMPOKA-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncnn1)CC(=O)N(C)C1CC1 ZINC001437599649 928466594 /nfs/dbraw/zinc/46/65/94/928466594.db2.gz NHUYHKAISLWLHY-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)CC(=O)N(C)C1CC1 ZINC001437599649 928466601 /nfs/dbraw/zinc/46/66/01/928466601.db2.gz NHUYHKAISLWLHY-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[C@H](O)COC ZINC001437630543 928467538 /nfs/dbraw/zinc/46/75/38/928467538.db2.gz FNIMETXZWJHECO-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2CCNC(=O)C2CC2)n1 ZINC001437670807 928467569 /nfs/dbraw/zinc/46/75/69/928467569.db2.gz YJHHFAVXZYOYMM-NSHDSACASA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CCNC(=O)C2CC2)n1 ZINC001437670807 928467573 /nfs/dbraw/zinc/46/75/73/928467573.db2.gz YJHHFAVXZYOYMM-NSHDSACASA-N 1 1 321.385 -1.070 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1CCNC1=O ZINC001437629476 928467613 /nfs/dbraw/zinc/46/76/13/928467613.db2.gz BERPQJSKQMJGGJ-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1cnccc1=O)CC(=O)NC ZINC001437630571 928467645 /nfs/dbraw/zinc/46/76/45/928467645.db2.gz LGYFHHRWINNRFN-UHFFFAOYSA-N 1 1 309.370 -1.183 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnccc1=O)CC(=O)NC ZINC001437630571 928467647 /nfs/dbraw/zinc/46/76/47/928467647.db2.gz LGYFHHRWINNRFN-UHFFFAOYSA-N 1 1 309.370 -1.183 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001437664371 928467867 /nfs/dbraw/zinc/46/78/67/928467867.db2.gz WUXISRYEKCRQLX-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001437649478 928468037 /nfs/dbraw/zinc/46/80/37/928468037.db2.gz ZWJTUNHPHSXTLA-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCCNC1=O ZINC001437659075 928468897 /nfs/dbraw/zinc/46/88/97/928468897.db2.gz KFHQFMSOCADADG-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001437656403 928469004 /nfs/dbraw/zinc/46/90/04/928469004.db2.gz ATMUAQMTVARCPI-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001437656403 928469012 /nfs/dbraw/zinc/46/90/12/928469012.db2.gz ATMUAQMTVARCPI-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437677474 928469485 /nfs/dbraw/zinc/46/94/85/928469485.db2.gz KLGDDZFHJDWSMG-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437677474 928469492 /nfs/dbraw/zinc/46/94/92/928469492.db2.gz KLGDDZFHJDWSMG-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCn1cncn1 ZINC001437665135 928469916 /nfs/dbraw/zinc/46/99/16/928469916.db2.gz XMJNUBWQQFCISK-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001437684327 928471669 /nfs/dbraw/zinc/47/16/69/928471669.db2.gz XMSDQERSZDYOSH-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001437695138 928471702 /nfs/dbraw/zinc/47/17/02/928471702.db2.gz GKRQMJSNNDIZKW-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001437695138 928471708 /nfs/dbraw/zinc/47/17/08/928471708.db2.gz GKRQMJSNNDIZKW-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001437700507 928471734 /nfs/dbraw/zinc/47/17/34/928471734.db2.gz OTVJIYRQKPWUTR-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001437680811 928471955 /nfs/dbraw/zinc/47/19/55/928471955.db2.gz WDBGMUQWFXGGQT-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CCn2cnnn2)C1=O ZINC001437680831 928472178 /nfs/dbraw/zinc/47/21/78/928472178.db2.gz WDBGMUQWFXGGQT-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001437684328 928472337 /nfs/dbraw/zinc/47/23/37/928472337.db2.gz XMSDQERSZDYOSH-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001437677760 928472502 /nfs/dbraw/zinc/47/25/02/928472502.db2.gz KLGDDZFHJDWSMG-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001437677760 928472512 /nfs/dbraw/zinc/47/25/12/928472512.db2.gz KLGDDZFHJDWSMG-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001437705766 928472916 /nfs/dbraw/zinc/47/29/16/928472916.db2.gz NERFFGAPQLHEKD-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001437705766 928472924 /nfs/dbraw/zinc/47/29/24/928472924.db2.gz NERFFGAPQLHEKD-SNVBAGLBSA-N 1 1 305.346 -1.560 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001437688772 928473336 /nfs/dbraw/zinc/47/33/36/928473336.db2.gz PLVXDKUHMJMIMH-WDEREUQCSA-N 1 1 311.386 -1.096 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001437700508 928473465 /nfs/dbraw/zinc/47/34/65/928473465.db2.gz OTVJIYRQKPWUTR-QWRGUYRKSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001437680053 928473536 /nfs/dbraw/zinc/47/35/36/928473536.db2.gz KKMHCJVRIIONMJ-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001437680053 928473543 /nfs/dbraw/zinc/47/35/43/928473543.db2.gz KKMHCJVRIIONMJ-BDAKNGLRSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@]1(CC(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CCS(=O)(=O)N1 ZINC001437737215 928474582 /nfs/dbraw/zinc/47/45/82/928474582.db2.gz IEDJDQALNBYWGM-WCQYABFASA-N 1 1 319.427 -1.111 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C[C@H](C)O ZINC001437748066 928475031 /nfs/dbraw/zinc/47/50/31/928475031.db2.gz BWJGDQZGTDETMA-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)COCC(F)F)C1 ZINC001437726844 928475091 /nfs/dbraw/zinc/47/50/91/928475091.db2.gz NJDJRWYNIUQCFT-QMMMGPOBSA-N 1 1 322.312 -1.099 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001437734159 928475347 /nfs/dbraw/zinc/47/53/47/928475347.db2.gz BRPSBGOVYBEFMA-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001437734159 928475358 /nfs/dbraw/zinc/47/53/58/928475358.db2.gz BRPSBGOVYBEFMA-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)CC ZINC001437758519 928475421 /nfs/dbraw/zinc/47/54/21/928475421.db2.gz GVSRAFSAFPYAKD-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)N(C)CC ZINC001437758519 928475429 /nfs/dbraw/zinc/47/54/29/928475429.db2.gz GVSRAFSAFPYAKD-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001437730393 928475461 /nfs/dbraw/zinc/47/54/61/928475461.db2.gz UZIMCUWKINKDOU-WDEREUQCSA-N 1 1 311.386 -2.270 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)C[C@@H](C)O ZINC001437748063 928475858 /nfs/dbraw/zinc/47/58/58/928475858.db2.gz BWJGDQZGTDETMA-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccncc2)C1 ZINC001437712409 928476407 /nfs/dbraw/zinc/47/64/07/928476407.db2.gz NVWWXDLPWYVDQT-LLVKDONJSA-N 1 1 319.365 -1.265 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001437808991 928477995 /nfs/dbraw/zinc/47/79/95/928477995.db2.gz UBVPOSUDOJQNFW-GRYCIOLGSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001437808991 928478000 /nfs/dbraw/zinc/47/80/00/928478000.db2.gz UBVPOSUDOJQNFW-GRYCIOLGSA-N 1 1 308.382 -1.033 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nnn(C)n1)[C@H]1CCCNC1=O ZINC001437762339 928478064 /nfs/dbraw/zinc/47/80/64/928478064.db2.gz NSJUGOYJRRYIGR-JTQLQIEISA-N 1 1 309.374 -1.070 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCNC1=O ZINC001437759163 928478279 /nfs/dbraw/zinc/47/82/79/928478279.db2.gz LYVQSISRMOGURW-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1ccc(C(N)=O)cn1)C1CC1 ZINC001437822450 928478345 /nfs/dbraw/zinc/47/83/45/928478345.db2.gz MUNSJAGJCRJVOJ-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1ccc(C(N)=O)cn1)C1CC1 ZINC001437822450 928478350 /nfs/dbraw/zinc/47/83/50/928478350.db2.gz MUNSJAGJCRJVOJ-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001437785978 928478492 /nfs/dbraw/zinc/47/84/92/928478492.db2.gz OQGGKFATYJEXLV-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](CCNC(=O)Cn1ncnn1)C1CC1 ZINC001437785978 928478499 /nfs/dbraw/zinc/47/84/99/928478499.db2.gz OQGGKFATYJEXLV-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H](C)C(N)=O ZINC001437765166 928478749 /nfs/dbraw/zinc/47/87/49/928478749.db2.gz CBBISRHXBZATLT-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803539 928479592 /nfs/dbraw/zinc/47/95/92/928479592.db2.gz KABSHQMWPCSZEZ-WDEREUQCSA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001437803539 928479595 /nfs/dbraw/zinc/47/95/95/928479595.db2.gz KABSHQMWPCSZEZ-WDEREUQCSA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(CN1CCOCC1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437783844 928479613 /nfs/dbraw/zinc/47/96/13/928479613.db2.gz LMIIEKLDSIDTCS-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001437783844 928479617 /nfs/dbraw/zinc/47/96/17/928479617.db2.gz LMIIEKLDSIDTCS-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818825 928479855 /nfs/dbraw/zinc/47/98/55/928479855.db2.gz LNFALJKETOUURT-WCBMZHEXSA-N 1 1 318.399 -1.868 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818825 928479861 /nfs/dbraw/zinc/47/98/61/928479861.db2.gz LNFALJKETOUURT-WCBMZHEXSA-N 1 1 318.399 -1.868 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCOCC1)c1nnnn1C ZINC001437831863 928480751 /nfs/dbraw/zinc/48/07/51/928480751.db2.gz RMRTVYCMIMLFLD-LLVKDONJSA-N 1 1 311.390 -1.349 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nncn1C ZINC001437845556 928481581 /nfs/dbraw/zinc/48/15/81/928481581.db2.gz VVIZAIHARZAPOJ-GARJFASQSA-N 1 1 324.385 -1.043 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001437948763 928483363 /nfs/dbraw/zinc/48/33/63/928483363.db2.gz QCSUFGGNGLNDHV-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncn(C)c2=O)C1 ZINC001437932683 928483660 /nfs/dbraw/zinc/48/36/60/928483660.db2.gz IXPIXFXBXWZKPS-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001437863626 928484070 /nfs/dbraw/zinc/48/40/70/928484070.db2.gz DJJLTHMBIYVEAW-GXSJLCMTSA-N 1 1 307.354 -1.024 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001437944815 928484978 /nfs/dbraw/zinc/48/49/78/928484978.db2.gz NYKMNEJDVQSCCH-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001437998972 928486146 /nfs/dbraw/zinc/48/61/46/928486146.db2.gz JYWVLTXLJXJVDJ-SECBINFHSA-N 1 1 309.374 -1.132 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001437986942 928486623 /nfs/dbraw/zinc/48/66/23/928486623.db2.gz VCFSEAGZYQGHSA-ZJUUUORDSA-N 1 1 309.374 -1.132 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001437972325 928486733 /nfs/dbraw/zinc/48/67/33/928486733.db2.gz BYBPJOFRXKGMBG-GFCCVEGCSA-N 1 1 314.386 -1.989 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H](C[N@@H+](C)CCO)C2)c(=O)n1C ZINC001437984702 928487181 /nfs/dbraw/zinc/48/71/81/928487181.db2.gz FZCMQAYRKPBKBR-LBPRGKRZSA-N 1 1 311.386 -1.337 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437975444 928487940 /nfs/dbraw/zinc/48/79/40/928487940.db2.gz CKEOOTSCNUMLQF-VIFPVBQESA-N 1 1 323.357 -1.346 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001437965880 928488385 /nfs/dbraw/zinc/48/83/85/928488385.db2.gz NBZFQBYAEJYFQL-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001438037603 928490460 /nfs/dbraw/zinc/49/04/60/928490460.db2.gz BRMDGVQZSILZCA-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001438037603 928490465 /nfs/dbraw/zinc/49/04/65/928490465.db2.gz BRMDGVQZSILZCA-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001438072245 928493164 /nfs/dbraw/zinc/49/31/64/928493164.db2.gz OPBPANVPWGCYPV-NSHDSACASA-N 1 1 318.443 -1.322 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438070078 928493675 /nfs/dbraw/zinc/49/36/75/928493675.db2.gz JGECJUDBVCMSKC-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO CO[C@H](C)C(=O)NCC1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001438111470 928498198 /nfs/dbraw/zinc/49/81/98/928498198.db2.gz DTJUWTFTMGZMTA-SNVBAGLBSA-N 1 1 324.381 -1.333 20 0 DAADMO Cc1ncoc1C[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001438129028 928500523 /nfs/dbraw/zinc/50/05/23/928500523.db2.gz GYFFMWBDKNYLLK-UHFFFAOYSA-N 1 1 321.381 -1.037 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001438129202 928501143 /nfs/dbraw/zinc/50/11/43/928501143.db2.gz AJTLJSILAAVHGP-UHFFFAOYSA-N 1 1 319.369 -1.138 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001438162974 928503718 /nfs/dbraw/zinc/50/37/18/928503718.db2.gz RGKGQTDDJVTUNU-SDDRHHMPSA-N 1 1 306.366 -1.314 20 0 DAADMO O=C(CNC(=O)C1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001438162974 928503737 /nfs/dbraw/zinc/50/37/37/928503737.db2.gz RGKGQTDDJVTUNU-SDDRHHMPSA-N 1 1 306.366 -1.314 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CNC(=O)NC)C1=O ZINC001438169624 928504371 /nfs/dbraw/zinc/50/43/71/928504371.db2.gz RLKLMCHFMUWVTI-SRVKXCTJSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001438155506 928504978 /nfs/dbraw/zinc/50/49/78/928504978.db2.gz LTQKJJALRVLVPJ-RYUDHWBXSA-N 1 1 309.370 -1.567 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001438155506 928504986 /nfs/dbraw/zinc/50/49/86/928504986.db2.gz LTQKJJALRVLVPJ-RYUDHWBXSA-N 1 1 309.370 -1.567 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001438219404 928506089 /nfs/dbraw/zinc/50/60/89/928506089.db2.gz CNIBOSYTAAWJLV-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001438219404 928506096 /nfs/dbraw/zinc/50/60/96/928506096.db2.gz CNIBOSYTAAWJLV-NSHDSACASA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001438223859 928506152 /nfs/dbraw/zinc/50/61/52/928506152.db2.gz MOKDBYDOJYIOTJ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001438223859 928506160 /nfs/dbraw/zinc/50/61/60/928506160.db2.gz MOKDBYDOJYIOTJ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001438222853 928506885 /nfs/dbraw/zinc/50/68/85/928506885.db2.gz MFBRRUWQRMNPHC-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001438222853 928506894 /nfs/dbraw/zinc/50/68/94/928506894.db2.gz MFBRRUWQRMNPHC-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001438198334 928507530 /nfs/dbraw/zinc/50/75/30/928507530.db2.gz WCZLSQYPHGQSJR-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001438219402 928507954 /nfs/dbraw/zinc/50/79/54/928507954.db2.gz CNIBOSYTAAWJLV-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001438219402 928507963 /nfs/dbraw/zinc/50/79/63/928507963.db2.gz CNIBOSYTAAWJLV-LLVKDONJSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001438233342 928509324 /nfs/dbraw/zinc/50/93/24/928509324.db2.gz SKCDUCKOFBFIOJ-WDEREUQCSA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@H]1CC[N@@H+](CCO)C1 ZINC001438247240 928509643 /nfs/dbraw/zinc/50/96/43/928509643.db2.gz PGWNVTFLPZXMMO-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001438228697 928510051 /nfs/dbraw/zinc/51/00/51/928510051.db2.gz ASUSSQSHXZUDQY-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001438228697 928510059 /nfs/dbraw/zinc/51/00/59/928510059.db2.gz ASUSSQSHXZUDQY-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nonc1C ZINC001438338648 928512233 /nfs/dbraw/zinc/51/22/33/928512233.db2.gz FDEAZDSLJCLQTM-IUCAKERBSA-N 1 1 324.341 -1.039 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271307 928513756 /nfs/dbraw/zinc/51/37/56/928513756.db2.gz ZKRYXHWPDMURLD-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)Cn2ncnn2)C1 ZINC001438271307 928513766 /nfs/dbraw/zinc/51/37/66/928513766.db2.gz ZKRYXHWPDMURLD-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1nnn(C)n1 ZINC001438483373 928518089 /nfs/dbraw/zinc/51/80/89/928518089.db2.gz VGQDGTFNOWRMQX-SNVBAGLBSA-N 1 1 307.362 -1.266 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001438561740 928522954 /nfs/dbraw/zinc/52/29/54/928522954.db2.gz BDBMAMUUSYBCSL-JTQLQIEISA-N 1 1 308.404 -1.734 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001438561740 928522963 /nfs/dbraw/zinc/52/29/63/928522963.db2.gz BDBMAMUUSYBCSL-JTQLQIEISA-N 1 1 308.404 -1.734 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001438559419 928523341 /nfs/dbraw/zinc/52/33/41/928523341.db2.gz WXQPLTPTQOIUQE-QMMMGPOBSA-N 1 1 319.387 -1.231 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001438586218 928525381 /nfs/dbraw/zinc/52/53/81/928525381.db2.gz MRRLSGCQEGFTOY-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001438586218 928525386 /nfs/dbraw/zinc/52/53/86/928525386.db2.gz MRRLSGCQEGFTOY-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC001438573104 928525534 /nfs/dbraw/zinc/52/55/34/928525534.db2.gz YJQOBUJKYJHPJY-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCC[C@H](C)O)CCO1 ZINC001438573347 928525621 /nfs/dbraw/zinc/52/56/21/928525621.db2.gz TYBGWTOTJWLRIL-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCC[C@H](C)O)CCO1 ZINC001438573347 928525628 /nfs/dbraw/zinc/52/56/28/928525628.db2.gz TYBGWTOTJWLRIL-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001438574674 928525941 /nfs/dbraw/zinc/52/59/41/928525941.db2.gz VXEWKQFZRGSKFL-LBPRGKRZSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001438574674 928525947 /nfs/dbraw/zinc/52/59/47/928525947.db2.gz VXEWKQFZRGSKFL-LBPRGKRZSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001438574609 928526546 /nfs/dbraw/zinc/52/65/46/928526546.db2.gz VSILRDLDUSMXQE-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001438574609 928526557 /nfs/dbraw/zinc/52/65/57/928526557.db2.gz VSILRDLDUSMXQE-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001438646629 928528034 /nfs/dbraw/zinc/52/80/34/928528034.db2.gz VITCNQNAIMTAHB-DTWKUNHWSA-N 1 1 312.378 -1.407 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001438673626 928530605 /nfs/dbraw/zinc/53/06/05/928530605.db2.gz NHIIHTLSCLUHCX-PSASIEDQSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001438647077 928531191 /nfs/dbraw/zinc/53/11/91/928531191.db2.gz URKLKACIVSVZIV-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001438673644 928531988 /nfs/dbraw/zinc/53/19/88/928531988.db2.gz NHIIHTLSCLUHCX-WCBMZHEXSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CCn1cnnn1 ZINC001438699467 928532415 /nfs/dbraw/zinc/53/24/15/928532415.db2.gz ILOFYFFGGJMSLJ-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001438706454 928534422 /nfs/dbraw/zinc/53/44/22/928534422.db2.gz YCIUGHHLLAIDOU-VHSXEESVSA-N 1 1 309.374 -1.185 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC(=O)NC ZINC001438864025 928535899 /nfs/dbraw/zinc/53/58/99/928535899.db2.gz JWHDYDNHTBGQPE-UHFFFAOYSA-N 1 1 315.374 -1.642 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(=O)NC ZINC001438864025 928535911 /nfs/dbraw/zinc/53/59/11/928535911.db2.gz JWHDYDNHTBGQPE-UHFFFAOYSA-N 1 1 315.374 -1.642 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001438871830 928536332 /nfs/dbraw/zinc/53/63/32/928536332.db2.gz KUYSHHPFVBCUCT-LLVKDONJSA-N 1 1 308.400 -1.572 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001438871830 928536340 /nfs/dbraw/zinc/53/63/40/928536340.db2.gz KUYSHHPFVBCUCT-LLVKDONJSA-N 1 1 308.400 -1.572 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)CC(=O)N(C)C ZINC001438869097 928536466 /nfs/dbraw/zinc/53/64/66/928536466.db2.gz WGJVCLJXAINNHS-LBPRGKRZSA-N 1 1 300.403 -1.205 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)CC(=O)N(C)C ZINC001438869097 928536478 /nfs/dbraw/zinc/53/64/78/928536478.db2.gz WGJVCLJXAINNHS-LBPRGKRZSA-N 1 1 300.403 -1.205 20 0 DAADMO CCNC(=O)CCC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438860486 928536919 /nfs/dbraw/zinc/53/69/19/928536919.db2.gz HJAGMVCNJIQTQN-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CCNC(=O)CCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438860486 928536925 /nfs/dbraw/zinc/53/69/25/928536925.db2.gz HJAGMVCNJIQTQN-UHFFFAOYSA-N 1 1 315.374 -1.512 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001438866258 928537066 /nfs/dbraw/zinc/53/70/66/928537066.db2.gz ZYXRXTVJYOFFMB-UHFFFAOYSA-N 1 1 310.358 -1.452 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001438866258 928537072 /nfs/dbraw/zinc/53/70/72/928537072.db2.gz ZYXRXTVJYOFFMB-UHFFFAOYSA-N 1 1 310.358 -1.452 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001438851708 928537135 /nfs/dbraw/zinc/53/71/35/928537135.db2.gz BZKBTXMGLUEKID-LBPRGKRZSA-N 1 1 314.386 -1.183 20 0 DAADMO COc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001438871979 928537346 /nfs/dbraw/zinc/53/73/46/928537346.db2.gz FWKAWBFNLUDPNK-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO COc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)ncn1 ZINC001438871979 928537357 /nfs/dbraw/zinc/53/73/57/928537357.db2.gz FWKAWBFNLUDPNK-UHFFFAOYSA-N 1 1 324.341 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001438874168 928537502 /nfs/dbraw/zinc/53/75/02/928537502.db2.gz QHLGGCMQYSNVHM-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001438874168 928537516 /nfs/dbraw/zinc/53/75/16/928537516.db2.gz QHLGGCMQYSNVHM-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cnns1 ZINC001438857287 928538087 /nfs/dbraw/zinc/53/80/87/928538087.db2.gz OUZGLSMULPAQLP-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnns1 ZINC001438857287 928538096 /nfs/dbraw/zinc/53/80/96/928538096.db2.gz OUZGLSMULPAQLP-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001438904755 928540048 /nfs/dbraw/zinc/54/00/48/928540048.db2.gz GQXXEHZGNUTCSF-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001438926378 928540395 /nfs/dbraw/zinc/54/03/95/928540395.db2.gz DCVJRXGYHVFAJM-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001438926378 928540405 /nfs/dbraw/zinc/54/04/05/928540405.db2.gz DCVJRXGYHVFAJM-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CN(CC[N@@H+](C)CCN1CCNC1=O)C(=O)Cn1cncn1 ZINC001438934789 928540507 /nfs/dbraw/zinc/54/05/07/928540507.db2.gz IIPMDSRTBBNPTB-UHFFFAOYSA-N 1 1 309.374 -1.307 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN(C)[C@H](C)C(N)=O)C1 ZINC001438945468 928541138 /nfs/dbraw/zinc/54/11/38/928541138.db2.gz ITSIAECHYYFQSM-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN(C)[C@H](C)C(N)=O)C1 ZINC001438945468 928541149 /nfs/dbraw/zinc/54/11/49/928541149.db2.gz ITSIAECHYYFQSM-VXGBXAGGSA-N 1 1 300.403 -1.029 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001438922031 928541459 /nfs/dbraw/zinc/54/14/59/928541459.db2.gz OZUOLNJCHHQJQR-QMMMGPOBSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)c1cnn(C)n1 ZINC001438922031 928541465 /nfs/dbraw/zinc/54/14/65/928541465.db2.gz OZUOLNJCHHQJQR-QMMMGPOBSA-N 1 1 311.346 -1.598 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001438876202 928541717 /nfs/dbraw/zinc/54/17/17/928541717.db2.gz YYMFALZLPDIKMV-QMMMGPOBSA-N 1 1 312.334 -2.353 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001438876202 928541722 /nfs/dbraw/zinc/54/17/22/928541722.db2.gz YYMFALZLPDIKMV-QMMMGPOBSA-N 1 1 312.334 -2.353 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)CC[N@@H+](C)CCO ZINC001438932006 928541908 /nfs/dbraw/zinc/54/19/08/928541908.db2.gz LUSGGTHKCRBFCU-UHFFFAOYSA-N 1 1 300.315 -1.108 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCNC(N)=O)n1 ZINC001438956818 928543165 /nfs/dbraw/zinc/54/31/65/928543165.db2.gz DXFJHJIPXZYECC-ZJUUUORDSA-N 1 1 324.389 -1.357 20 0 DAADMO O=C(CN1CCCC1=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438960048 928543280 /nfs/dbraw/zinc/54/32/80/928543280.db2.gz OLWROBOYUPPRAK-VIFPVBQESA-N 1 1 313.383 -1.273 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)no1 ZINC001438953187 928543702 /nfs/dbraw/zinc/54/37/02/928543702.db2.gz AGWRDUUQAOIBQW-RKDXNWHRSA-N 1 1 309.330 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCNC(N)=O)CC[C@H]21 ZINC001438952573 928544031 /nfs/dbraw/zinc/54/40/31/928544031.db2.gz QLWBZKZFXTYUFN-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001438958000 928544625 /nfs/dbraw/zinc/54/46/25/928544625.db2.gz QAQVSEFMXLIJKV-LDYMZIIASA-N 1 1 324.385 -1.227 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCNC(N)=O)n1 ZINC001438956815 928544707 /nfs/dbraw/zinc/54/47/07/928544707.db2.gz DXFJHJIPXZYECC-VHSXEESVSA-N 1 1 324.389 -1.357 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)no1 ZINC001438969111 928546218 /nfs/dbraw/zinc/54/62/18/928546218.db2.gz LBTQNGYOMWFPTL-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cnnn2)o1 ZINC001438963409 928546762 /nfs/dbraw/zinc/54/67/62/928546762.db2.gz UDSBXZMTGVBOSI-SECBINFHSA-N 1 1 309.330 -1.510 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)no1 ZINC001438969089 928547392 /nfs/dbraw/zinc/54/73/92/928547392.db2.gz LBTQNGYOMWFPTL-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]n1 ZINC001438968069 928547648 /nfs/dbraw/zinc/54/76/48/928547648.db2.gz DJZPMZLWGJTRSA-WPRPVWTQSA-N 1 1 322.373 -1.063 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cccn1)c1nnnn1C ZINC001438964908 928547781 /nfs/dbraw/zinc/54/77/81/928547781.db2.gz CLRKYVVWMSNSTL-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C2CC2)n1 ZINC001438969338 928548187 /nfs/dbraw/zinc/54/81/87/928548187.db2.gz FTLXOMPIQBFIAK-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001438970893 928549912 /nfs/dbraw/zinc/54/99/12/928549912.db2.gz HEHJCAIKBLCVIL-KWQFWETISA-N 1 1 312.374 -1.281 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001438978319 928552655 /nfs/dbraw/zinc/55/26/55/928552655.db2.gz DGRPCSZGIWCLAD-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO CSC[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001438979142 928554299 /nfs/dbraw/zinc/55/42/99/928554299.db2.gz GHBAWLZLSISLQZ-BDAKNGLRSA-N 1 1 302.404 -1.224 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2N)nn1 ZINC001438984726 928556408 /nfs/dbraw/zinc/55/64/08/928556408.db2.gz PRUSZZLEPJIPKZ-SNVBAGLBSA-N 1 1 322.373 -1.506 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001438993617 928564010 /nfs/dbraw/zinc/56/40/10/928564010.db2.gz RTFRABVDIPDDBO-NSHDSACASA-N 1 1 321.385 -1.090 20 0 DAADMO Cn1nnc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001438993500 928564496 /nfs/dbraw/zinc/56/44/96/928564496.db2.gz BFBMJNMRBVSBAE-GHMZBOCLSA-N 1 1 311.390 -1.739 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438994783 928565130 /nfs/dbraw/zinc/56/51/30/928565130.db2.gz NCPCECFOICGWNE-NXEZZACHSA-N 1 1 316.383 -1.090 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438994787 928565193 /nfs/dbraw/zinc/56/51/93/928565193.db2.gz NCPCECFOICGWNE-UWVGGRQHSA-N 1 1 316.383 -1.090 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCCN(C)C2=O)n[nH]1 ZINC001438996574 928566236 /nfs/dbraw/zinc/56/62/36/928566236.db2.gz PSDKGMTYGHZDMK-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)ccn1 ZINC001439003914 928569667 /nfs/dbraw/zinc/56/96/67/928569667.db2.gz SROUGXWZMGHLGS-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)CC1=O ZINC001439002470 928570144 /nfs/dbraw/zinc/57/01/44/928570144.db2.gz WYNLGFDCSOGFOM-WDEREUQCSA-N 1 1 307.354 -1.478 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001439004443 928570223 /nfs/dbraw/zinc/57/02/23/928570223.db2.gz DMBAJNBQYAAYLQ-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001439016076 928578070 /nfs/dbraw/zinc/57/80/70/928578070.db2.gz AFKLQPAXGDSPHB-NXEZZACHSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)[nH]1 ZINC001439015657 928578149 /nfs/dbraw/zinc/57/81/49/928578149.db2.gz XPDMOPXNWACREY-APPZFPTMSA-N 1 1 319.387 -1.887 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001439030322 928582866 /nfs/dbraw/zinc/58/28/66/928582866.db2.gz FSCAYYGQBWYVPK-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc1 ZINC001439026502 928583827 /nfs/dbraw/zinc/58/38/27/928583827.db2.gz OKKIOVRLLHVUTN-ZJUUUORDSA-N 1 1 308.342 -1.967 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nonc2C)n1 ZINC001439030151 928583977 /nfs/dbraw/zinc/58/39/77/928583977.db2.gz DWOVDJWTBNTOEV-LLVKDONJSA-N 1 1 323.357 -1.201 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001439032258 928585195 /nfs/dbraw/zinc/58/51/95/928585195.db2.gz IJAZPQHBNNTOTK-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001439037256 928585723 /nfs/dbraw/zinc/58/57/23/928585723.db2.gz YKXDBDWSDHFFOH-QWRGUYRKSA-N 1 1 307.354 -1.288 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001439032236 928585817 /nfs/dbraw/zinc/58/58/17/928585817.db2.gz IHKWRXWORGTBQX-NXEZZACHSA-N 1 1 323.397 -1.039 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001439037243 928586001 /nfs/dbraw/zinc/58/60/01/928586001.db2.gz YKXDBDWSDHFFOH-GHMZBOCLSA-N 1 1 307.354 -1.288 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001439032254 928586044 /nfs/dbraw/zinc/58/60/44/928586044.db2.gz IJAZPQHBNNTOTK-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439032444 928586377 /nfs/dbraw/zinc/58/63/77/928586377.db2.gz MJJOEBPYDHWQRV-ZJUUUORDSA-N 1 1 311.342 -1.387 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nonc2C)nn1 ZINC001439035445 928586661 /nfs/dbraw/zinc/58/66/61/928586661.db2.gz OYZARXJNXWKCAE-LLVKDONJSA-N 1 1 323.357 -1.201 20 0 DAADMO CCn1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001439040614 928587870 /nfs/dbraw/zinc/58/78/70/928587870.db2.gz OHWLEIBTHIXHDW-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CCn1ncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001439040882 928588662 /nfs/dbraw/zinc/58/86/62/928588662.db2.gz FMFOXAIRIMIPIQ-AAEUAGOBSA-N 1 1 310.402 -1.184 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439041208 928589456 /nfs/dbraw/zinc/58/94/56/928589456.db2.gz NTMRHYPZLDPBSJ-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439041208 928589464 /nfs/dbraw/zinc/58/94/64/928589464.db2.gz NTMRHYPZLDPBSJ-VHSXEESVSA-N 1 1 312.374 -1.354 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2ncn[nH]2)C1=O ZINC001439044493 928591843 /nfs/dbraw/zinc/59/18/43/928591843.db2.gz UNKLSZVCMPTRJI-VHSXEESVSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2nc[nH]n2)C1=O ZINC001439044493 928591852 /nfs/dbraw/zinc/59/18/52/928591852.db2.gz UNKLSZVCMPTRJI-VHSXEESVSA-N 1 1 324.385 -1.116 20 0 DAADMO CCn1cccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001439059557 928596238 /nfs/dbraw/zinc/59/62/38/928596238.db2.gz QMSWEGDEPFAXFX-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)[C@@H]1CCc2nncn2C1 ZINC001439062919 928596754 /nfs/dbraw/zinc/59/67/54/928596754.db2.gz XRXOFLOVWWWJPO-MWLCHTKSSA-N 1 1 321.341 -1.510 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001439097807 928599047 /nfs/dbraw/zinc/59/90/47/928599047.db2.gz BCPCYEGVQRTGIN-RKDXNWHRSA-N 1 1 311.346 -1.214 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1CCF)NC(=O)Cn1ncnn1 ZINC001439109932 928599846 /nfs/dbraw/zinc/59/98/46/928599846.db2.gz KBLCYKRQXWFAAR-SECBINFHSA-N 1 1 311.325 -1.471 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001439099257 928600202 /nfs/dbraw/zinc/60/02/02/928600202.db2.gz FACQXZJXCWCIFY-ZYHUDNBSSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001439156025 928601156 /nfs/dbraw/zinc/60/11/56/928601156.db2.gz MFFFIPNYRQRAAP-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CCS(C)(=O)=O ZINC001439127098 928601457 /nfs/dbraw/zinc/60/14/57/928601457.db2.gz GOKKPDOAYODSIR-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001439143440 928601869 /nfs/dbraw/zinc/60/18/69/928601869.db2.gz HZQKBRKTWQFPRG-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1CNC(=O)N1 ZINC001439147810 928602315 /nfs/dbraw/zinc/60/23/15/928602315.db2.gz QDDKCJJSFIBRAQ-RKDXNWHRSA-N 1 1 323.357 -1.916 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439165554 928604257 /nfs/dbraw/zinc/60/42/57/928604257.db2.gz AYGONGNLIQHGRC-ZJUUUORDSA-N 1 1 309.374 -1.044 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001439174365 928604282 /nfs/dbraw/zinc/60/42/82/928604282.db2.gz PYMWIXQZPVIOOW-MRVPVSSYSA-N 1 1 324.341 -1.086 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001439173753 928604318 /nfs/dbraw/zinc/60/43/18/928604318.db2.gz QZYIVDYRIRNLKN-MRVPVSSYSA-N 1 1 323.357 -1.124 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001439181368 928605155 /nfs/dbraw/zinc/60/51/55/928605155.db2.gz CKAXGXAVQKSBQU-APPZFPTMSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CCn1cnccc1=O ZINC001439164232 928605215 /nfs/dbraw/zinc/60/52/15/928605215.db2.gz QIYNEIJUEUUECP-SNVBAGLBSA-N 1 1 320.357 -1.549 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001439222552 928608504 /nfs/dbraw/zinc/60/85/04/928608504.db2.gz NVVVCRUUGNOYPM-JTQLQIEISA-N 1 1 322.369 -1.677 20 0 DAADMO C[C@@H](C[NH2+]Cc1ccon1)NC(=O)CNS(=O)(=O)N(C)C ZINC001439260888 928609620 /nfs/dbraw/zinc/60/96/20/928609620.db2.gz RYRJOXYEDSVMQC-VIFPVBQESA-N 1 1 319.387 -1.335 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CS(=O)(=O)N(C)C ZINC001439269971 928610038 /nfs/dbraw/zinc/61/00/38/928610038.db2.gz FBRCTZUSGMEHMU-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)N1CCNC(=O)C1)NC(=O)Cc1nnc[nH]1 ZINC001439270356 928610733 /nfs/dbraw/zinc/61/07/33/928610733.db2.gz NSLQEDNGYNSGDJ-VIFPVBQESA-N 1 1 323.357 -2.600 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001439325963 928612601 /nfs/dbraw/zinc/61/26/01/928612601.db2.gz BTIVJVRQAJLZFX-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001439325963 928612610 /nfs/dbraw/zinc/61/26/10/928612610.db2.gz BTIVJVRQAJLZFX-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)CC1=O ZINC001439327012 928612857 /nfs/dbraw/zinc/61/28/57/928612857.db2.gz DSKJYPRQKWRBIU-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)CC1=O ZINC001439327012 928612863 /nfs/dbraw/zinc/61/28/63/928612863.db2.gz DSKJYPRQKWRBIU-WDEREUQCSA-N 1 1 314.386 -1.597 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001439325964 928613076 /nfs/dbraw/zinc/61/30/76/928613076.db2.gz BTIVJVRQAJLZFX-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001439325964 928613081 /nfs/dbraw/zinc/61/30/81/928613081.db2.gz BTIVJVRQAJLZFX-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)CC1=O ZINC001439327006 928613990 /nfs/dbraw/zinc/61/39/90/928613990.db2.gz DSKJYPRQKWRBIU-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO COCCN1C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)CC1=O ZINC001439327006 928613998 /nfs/dbraw/zinc/61/39/98/928613998.db2.gz DSKJYPRQKWRBIU-MNOVXSKESA-N 1 1 314.386 -1.597 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322448 928614199 /nfs/dbraw/zinc/61/41/99/928614199.db2.gz UVJWPHHJEPXYOD-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)NC(=O)c1ncn(C)n1 ZINC001439322448 928614205 /nfs/dbraw/zinc/61/42/05/928614205.db2.gz UVJWPHHJEPXYOD-HTQZYQBOSA-N 1 1 311.346 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350023 928615795 /nfs/dbraw/zinc/61/57/95/928615795.db2.gz BTKRNSHOKGDAJE-QWRGUYRKSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350023 928615800 /nfs/dbraw/zinc/61/58/00/928615800.db2.gz BTKRNSHOKGDAJE-QWRGUYRKSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001439349686 928615845 /nfs/dbraw/zinc/61/58/45/928615845.db2.gz AGHXMYGYKGPGJG-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001439349686 928615851 /nfs/dbraw/zinc/61/58/51/928615851.db2.gz AGHXMYGYKGPGJG-RKDXNWHRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439370282 928616091 /nfs/dbraw/zinc/61/60/91/928616091.db2.gz MPHYEZGBIAWBEA-YIZRAAEISA-N 1 1 313.358 -2.000 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439370282 928616095 /nfs/dbraw/zinc/61/60/95/928616095.db2.gz MPHYEZGBIAWBEA-YIZRAAEISA-N 1 1 313.358 -2.000 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001439362108 928616176 /nfs/dbraw/zinc/61/61/76/928616176.db2.gz BCNDEMGBTWOIEC-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001439362108 928616182 /nfs/dbraw/zinc/61/61/82/928616182.db2.gz BCNDEMGBTWOIEC-MRVPVSSYSA-N 1 1 305.342 -1.101 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350018 928616277 /nfs/dbraw/zinc/61/62/77/928616277.db2.gz BTKRNSHOKGDAJE-GHMZBOCLSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001439350018 928616281 /nfs/dbraw/zinc/61/62/81/928616281.db2.gz BTKRNSHOKGDAJE-GHMZBOCLSA-N 1 1 313.402 -2.011 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001439333812 928616461 /nfs/dbraw/zinc/61/64/61/928616461.db2.gz TVVSBXJYNCLUJZ-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001439349671 928617444 /nfs/dbraw/zinc/61/74/44/928617444.db2.gz AGHXMYGYKGPGJG-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001439349671 928617452 /nfs/dbraw/zinc/61/74/52/928617452.db2.gz AGHXMYGYKGPGJG-BDAKNGLRSA-N 1 1 315.374 -1.610 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001439402282 928618058 /nfs/dbraw/zinc/61/80/58/928618058.db2.gz DZQWWGXWWDGSEX-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001439402282 928618068 /nfs/dbraw/zinc/61/80/68/928618068.db2.gz DZQWWGXWWDGSEX-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400228 928618322 /nfs/dbraw/zinc/61/83/22/928618322.db2.gz SBKQQWBAJPWWTQ-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400228 928618329 /nfs/dbraw/zinc/61/83/29/928618329.db2.gz SBKQQWBAJPWWTQ-VHSXEESVSA-N 1 1 309.370 -1.035 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)CC(=O)NC)C1 ZINC001439407708 928619447 /nfs/dbraw/zinc/61/94/47/928619447.db2.gz NYHUZEXEMNVUOQ-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CN(C)CC(=O)NC)C1 ZINC001439407708 928619452 /nfs/dbraw/zinc/61/94/52/928619452.db2.gz NYHUZEXEMNVUOQ-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001439383292 928619527 /nfs/dbraw/zinc/61/95/27/928619527.db2.gz MNYAEZLXLMTKSC-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001439383292 928619532 /nfs/dbraw/zinc/61/95/32/928619532.db2.gz MNYAEZLXLMTKSC-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)[nH]1 ZINC001439474794 928622720 /nfs/dbraw/zinc/62/27/20/928622720.db2.gz SGKOJLGQYZDANA-NXEZZACHSA-N 1 1 307.358 -1.221 20 0 DAADMO O=C(CCn1cncn1)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001439504335 928622751 /nfs/dbraw/zinc/62/27/51/928622751.db2.gz LNDHHWVBVFHKLE-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(CCn1cncn1)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001439504335 928622760 /nfs/dbraw/zinc/62/27/60/928622760.db2.gz LNDHHWVBVFHKLE-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001439477183 928623435 /nfs/dbraw/zinc/62/34/35/928623435.db2.gz YRDSUNRSADRUTR-RYUDHWBXSA-N 1 1 321.385 -1.036 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514533 928623458 /nfs/dbraw/zinc/62/34/58/928623458.db2.gz NHLXEDPADGAAPU-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514533 928623460 /nfs/dbraw/zinc/62/34/60/928623460.db2.gz NHLXEDPADGAAPU-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C2CC2)nn1 ZINC001439478146 928624025 /nfs/dbraw/zinc/62/40/25/928624025.db2.gz RQKNQMQHFJGQQJ-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439523075 928625686 /nfs/dbraw/zinc/62/56/86/928625686.db2.gz KBJNBIBICGEUBY-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001439557378 928629001 /nfs/dbraw/zinc/62/90/01/928629001.db2.gz IISDANIOJDGWMI-LLVKDONJSA-N 1 1 304.416 -1.017 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001439585219 928631352 /nfs/dbraw/zinc/63/13/52/928631352.db2.gz QOHNLXXBRQVCHK-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1cc(C[NH2+]C2(CNC(=O)CN3CCOCC3)CC2)nn1 ZINC001439603427 928633869 /nfs/dbraw/zinc/63/38/69/928633869.db2.gz HLZUAGZYKRQTLU-UHFFFAOYSA-N 1 1 308.386 -1.114 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)C1C[NH+]([C@@H](C)COC)C1 ZINC001439730624 928638276 /nfs/dbraw/zinc/63/82/76/928638276.db2.gz BYRQZRZYJGAPMD-VIFPVBQESA-N 1 1 308.404 -1.782 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001439728662 928639266 /nfs/dbraw/zinc/63/92/66/928639266.db2.gz MIEHEQGGCISCEZ-GFCCVEGCSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001439739335 928640549 /nfs/dbraw/zinc/64/05/49/928640549.db2.gz ZKKYBGKIZTWVAP-SECBINFHSA-N 1 1 300.359 -2.238 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001439753052 928641382 /nfs/dbraw/zinc/64/13/82/928641382.db2.gz SWCIMRPOBYJWFL-SKDRFNHKSA-N 1 1 314.386 -1.456 20 0 DAADMO COCC(=O)N(C)CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001439793856 928642750 /nfs/dbraw/zinc/64/27/50/928642750.db2.gz MEJKKRSMFJREBD-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001439782437 928642948 /nfs/dbraw/zinc/64/29/48/928642948.db2.gz DYEVJMFDYVDZBK-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838650 928645125 /nfs/dbraw/zinc/64/51/25/928645125.db2.gz SBKYNDRVTMUNIB-IINYFYTJSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838650 928645134 /nfs/dbraw/zinc/64/51/34/928645134.db2.gz SBKYNDRVTMUNIB-IINYFYTJSA-N 1 1 321.385 -1.079 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CNC(=O)OC)C1 ZINC001439830424 928645186 /nfs/dbraw/zinc/64/51/86/928645186.db2.gz BCXAKGHGVOCCFJ-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)NCC(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001439828653 928645204 /nfs/dbraw/zinc/64/52/04/928645204.db2.gz KHNJNBOZVSYZQA-AWEZNQCLSA-N 1 1 312.414 -1.277 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001439833842 928645358 /nfs/dbraw/zinc/64/53/58/928645358.db2.gz FWURBNTVRPJTIL-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@]1(NC(=O)Cn2ncnn2)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001439846554 928645722 /nfs/dbraw/zinc/64/57/22/928645722.db2.gz OHVKFVNVQJTSLB-ZWNOBZJWSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439849633 928645813 /nfs/dbraw/zinc/64/58/13/928645813.db2.gz MMKHSCFDWNDXHK-AWEZNQCLSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439849633 928645823 /nfs/dbraw/zinc/64/58/23/928645823.db2.gz MMKHSCFDWNDXHK-AWEZNQCLSA-N 1 1 321.385 -1.078 20 0 DAADMO CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001439854182 928645907 /nfs/dbraw/zinc/64/59/07/928645907.db2.gz QWHATTSJOZIGMG-GWCFXTLKSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439844097 928646175 /nfs/dbraw/zinc/64/61/75/928646175.db2.gz GKFBZSZAXAUBLX-ZDUSSCGKSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439844097 928646180 /nfs/dbraw/zinc/64/61/80/928646180.db2.gz GKFBZSZAXAUBLX-ZDUSSCGKSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439844086 928646497 /nfs/dbraw/zinc/64/64/97/928646497.db2.gz GKFBZSZAXAUBLX-CYBMUJFWSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(C)(O)CC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439844086 928646506 /nfs/dbraw/zinc/64/65/06/928646506.db2.gz GKFBZSZAXAUBLX-CYBMUJFWSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439843248 928646607 /nfs/dbraw/zinc/64/66/07/928646607.db2.gz AKHNOXFBOOSAFE-ZDUSSCGKSA-N 1 1 313.358 -2.695 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439843248 928646614 /nfs/dbraw/zinc/64/66/14/928646614.db2.gz AKHNOXFBOOSAFE-ZDUSSCGKSA-N 1 1 313.358 -2.695 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838656 928646815 /nfs/dbraw/zinc/64/68/15/928646815.db2.gz SBKYNDRVTMUNIB-YGRLFVJLSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001439838656 928646820 /nfs/dbraw/zinc/64/68/20/928646820.db2.gz SBKYNDRVTMUNIB-YGRLFVJLSA-N 1 1 321.385 -1.079 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001439833841 928646843 /nfs/dbraw/zinc/64/68/43/928646843.db2.gz FWURBNTVRPJTIL-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439844646 928646875 /nfs/dbraw/zinc/64/68/75/928646875.db2.gz MEQURIFYAOULQQ-ZYHUDNBSSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001439854187 928647055 /nfs/dbraw/zinc/64/70/55/928647055.db2.gz QWHATTSJOZIGMG-GXFFZTMASA-N 1 1 309.374 -1.222 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001439828953 928647065 /nfs/dbraw/zinc/64/70/65/928647065.db2.gz MFTVTFLTYYUBLF-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001439842938 928647145 /nfs/dbraw/zinc/64/71/45/928647145.db2.gz JAHYPQVMQPBVAI-ZDUSSCGKSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001439842938 928647152 /nfs/dbraw/zinc/64/71/52/928647152.db2.gz JAHYPQVMQPBVAI-ZDUSSCGKSA-N 1 1 307.358 -1.514 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001439868620 928648210 /nfs/dbraw/zinc/64/82/10/928648210.db2.gz NLYAULFLIBTDFF-CYBMUJFWSA-N 1 1 310.358 -2.044 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001439868620 928648215 /nfs/dbraw/zinc/64/82/15/928648215.db2.gz NLYAULFLIBTDFF-CYBMUJFWSA-N 1 1 310.358 -2.044 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cc2ncc[nH]2)C1 ZINC001439857797 928649264 /nfs/dbraw/zinc/64/92/64/928649264.db2.gz YWNDJTWSDOIFBL-AWEZNQCLSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cc2ncc[nH]2)C1 ZINC001439857797 928649273 /nfs/dbraw/zinc/64/92/73/928649273.db2.gz YWNDJTWSDOIFBL-AWEZNQCLSA-N 1 1 322.369 -1.012 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001439972408 928650549 /nfs/dbraw/zinc/65/05/49/928650549.db2.gz ADZONFPVMVJZBB-ZDUSSCGKSA-N 1 1 321.341 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976103 928650613 /nfs/dbraw/zinc/65/06/13/928650613.db2.gz MQTNXMCQDILGFG-QMTHXVAHSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976103 928650617 /nfs/dbraw/zinc/65/06/17/928650617.db2.gz MQTNXMCQDILGFG-QMTHXVAHSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976099 928650627 /nfs/dbraw/zinc/65/06/27/928650627.db2.gz MQTNXMCQDILGFG-HZMBPMFUSA-N 1 1 315.370 -1.434 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001439976099 928650632 /nfs/dbraw/zinc/65/06/32/928650632.db2.gz MQTNXMCQDILGFG-HZMBPMFUSA-N 1 1 315.370 -1.434 20 0 DAADMO NC(=O)C[NH2+]C1(CNC(=O)CCc2nc[nH]n2)CCOCC1 ZINC001439950391 928650739 /nfs/dbraw/zinc/65/07/39/928650739.db2.gz XNTDQRKKXXAXON-UHFFFAOYSA-N 1 1 310.358 -1.522 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnn(C)c2)C1 ZINC001439977559 928651494 /nfs/dbraw/zinc/65/14/94/928651494.db2.gz FNMZQOMNOCNUJA-NHYWBVRUSA-N 1 1 323.397 -1.350 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001439975233 928651724 /nfs/dbraw/zinc/65/17/24/928651724.db2.gz AYKJYKXHJGBAHZ-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001439975233 928651731 /nfs/dbraw/zinc/65/17/31/928651731.db2.gz AYKJYKXHJGBAHZ-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439973829 928651769 /nfs/dbraw/zinc/65/17/69/928651769.db2.gz LLNFCWFOPGIQQI-AWEZNQCLSA-N 1 1 323.353 -1.515 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439973829 928651776 /nfs/dbraw/zinc/65/17/76/928651776.db2.gz LLNFCWFOPGIQQI-AWEZNQCLSA-N 1 1 323.353 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001439974930 928651963 /nfs/dbraw/zinc/65/19/63/928651963.db2.gz REMHDUCOUBKZQT-AWEZNQCLSA-N 1 1 324.337 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccco2)C1 ZINC001439974930 928651967 /nfs/dbraw/zinc/65/19/67/928651967.db2.gz REMHDUCOUBKZQT-AWEZNQCLSA-N 1 1 324.337 -1.098 20 0 DAADMO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976703 928652257 /nfs/dbraw/zinc/65/22/57/928652257.db2.gz DMUKRJWXHAYIQR-ZYHUDNBSSA-N 1 1 308.400 -1.381 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001439976703 928652261 /nfs/dbraw/zinc/65/22/61/928652261.db2.gz DMUKRJWXHAYIQR-ZYHUDNBSSA-N 1 1 308.400 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001439975085 928652294 /nfs/dbraw/zinc/65/22/94/928652294.db2.gz REMHDUCOUBKZQT-CQSZACIVSA-N 1 1 324.337 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccco2)C1 ZINC001439975085 928652296 /nfs/dbraw/zinc/65/22/96/928652296.db2.gz REMHDUCOUBKZQT-CQSZACIVSA-N 1 1 324.337 -1.098 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980393 928653819 /nfs/dbraw/zinc/65/38/19/928653819.db2.gz WBTMLJJCCGJKKH-WFASDCNBSA-N 1 1 309.366 -1.225 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)C1=CCOCC1 ZINC001439980393 928653825 /nfs/dbraw/zinc/65/38/25/928653825.db2.gz WBTMLJJCCGJKKH-WFASDCNBSA-N 1 1 309.366 -1.225 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001439978471 928653841 /nfs/dbraw/zinc/65/38/41/928653841.db2.gz ODOBACQQQUPEHH-AWEZNQCLSA-N 1 1 312.370 -1.062 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001439978471 928653847 /nfs/dbraw/zinc/65/38/47/928653847.db2.gz ODOBACQQQUPEHH-AWEZNQCLSA-N 1 1 312.370 -1.062 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001439982348 928653902 /nfs/dbraw/zinc/65/39/02/928653902.db2.gz LRFAOUIZJSIBBS-TVQRCGJNSA-N 1 1 314.342 -2.229 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001439982348 928653905 /nfs/dbraw/zinc/65/39/05/928653905.db2.gz LRFAOUIZJSIBBS-TVQRCGJNSA-N 1 1 314.342 -2.229 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001439982349 928654350 /nfs/dbraw/zinc/65/43/50/928654350.db2.gz LRFAOUIZJSIBBS-ZANVPECISA-N 1 1 314.342 -2.229 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001439982349 928654355 /nfs/dbraw/zinc/65/43/55/928654355.db2.gz LRFAOUIZJSIBBS-ZANVPECISA-N 1 1 314.342 -2.229 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439981789 928654416 /nfs/dbraw/zinc/65/44/16/928654416.db2.gz ZOEKMHILJPLTNZ-CQSZACIVSA-N 1 1 319.369 -1.122 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001439978338 928654981 /nfs/dbraw/zinc/65/49/81/928654981.db2.gz NGIYAAZWBJYFLP-RISCZKNCSA-N 1 1 309.370 -1.035 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001439981528 928655080 /nfs/dbraw/zinc/65/50/80/928655080.db2.gz JRFYQIPYMIKWHC-BXUZGUMPSA-N 1 1 314.386 -1.718 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001439978491 928655202 /nfs/dbraw/zinc/65/52/02/928655202.db2.gz OEQKYUJPYGQVSP-LBPRGKRZSA-N 1 1 322.312 -1.350 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001439978491 928655210 /nfs/dbraw/zinc/65/52/10/928655210.db2.gz OEQKYUJPYGQVSP-LBPRGKRZSA-N 1 1 322.312 -1.350 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439978240 928655531 /nfs/dbraw/zinc/65/55/31/928655531.db2.gz QVQMTOAZLIWGQX-ZDUSSCGKSA-N 1 1 309.326 -1.905 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439978240 928655536 /nfs/dbraw/zinc/65/55/36/928655536.db2.gz QVQMTOAZLIWGQX-ZDUSSCGKSA-N 1 1 309.326 -1.905 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cn[nH]c1 ZINC001439985349 928656562 /nfs/dbraw/zinc/65/65/62/928656562.db2.gz RHHQPDOYUUJMOF-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001439983091 928656633 /nfs/dbraw/zinc/65/66/33/928656633.db2.gz YWDVEAFZXVXROU-TVQRCGJNSA-N 1 1 300.359 -2.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001439983091 928656637 /nfs/dbraw/zinc/65/66/37/928656637.db2.gz YWDVEAFZXVXROU-TVQRCGJNSA-N 1 1 300.359 -2.190 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001439987505 928656723 /nfs/dbraw/zinc/65/67/23/928656723.db2.gz WJPONMYADKUEIA-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnn2C)C1 ZINC001439987505 928656728 /nfs/dbraw/zinc/65/67/28/928656728.db2.gz WJPONMYADKUEIA-AWEZNQCLSA-N 1 1 309.370 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(OC)ncn2)C1 ZINC001439987786 928656900 /nfs/dbraw/zinc/65/69/00/928656900.db2.gz HGLHHWJKJUEHMM-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(OC)ncn2)C1 ZINC001439987786 928656903 /nfs/dbraw/zinc/65/69/03/928656903.db2.gz HGLHHWJKJUEHMM-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439987496 928657065 /nfs/dbraw/zinc/65/70/65/928657065.db2.gz VLXZFNRJFWZNCF-HNNXBMFYSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439987500 928657229 /nfs/dbraw/zinc/65/72/29/928657229.db2.gz VLXZFNRJFWZNCF-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987247 928657442 /nfs/dbraw/zinc/65/74/42/928657442.db2.gz UTIRCUBULGLXLF-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnsn2)C1 ZINC001439987247 928657450 /nfs/dbraw/zinc/65/74/50/928657450.db2.gz UTIRCUBULGLXLF-PELKAZGASA-N 1 1 313.383 -1.161 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001439986880 928657514 /nfs/dbraw/zinc/65/75/14/928657514.db2.gz FKKIPAAWWABPOY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001439986880 928657519 /nfs/dbraw/zinc/65/75/19/928657519.db2.gz FKKIPAAWWABPOY-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001439987586 928657650 /nfs/dbraw/zinc/65/76/50/928657650.db2.gz YDMXEQDUGHALJE-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001439987583 928657827 /nfs/dbraw/zinc/65/78/27/928657827.db2.gz YDMXEQDUGHALJE-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001439986168 928658352 /nfs/dbraw/zinc/65/83/52/928658352.db2.gz BPEXMRSPLHLGIP-ZDUSSCGKSA-N 1 1 305.342 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001439986168 928658361 /nfs/dbraw/zinc/65/83/61/928658361.db2.gz BPEXMRSPLHLGIP-ZDUSSCGKSA-N 1 1 305.342 -1.095 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001439986955 928658494 /nfs/dbraw/zinc/65/84/94/928658494.db2.gz FXRMMCXOLFIIPS-CYBMUJFWSA-N 1 1 303.334 -1.632 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001439986955 928658502 /nfs/dbraw/zinc/65/85/02/928658502.db2.gz FXRMMCXOLFIIPS-CYBMUJFWSA-N 1 1 303.334 -1.632 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001439988823 928659960 /nfs/dbraw/zinc/65/99/60/928659960.db2.gz LVNHAZSMILWLHC-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001439988823 928659969 /nfs/dbraw/zinc/65/99/69/928659969.db2.gz LVNHAZSMILWLHC-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001439995944 928660032 /nfs/dbraw/zinc/66/00/32/928660032.db2.gz BBLHHMDVRXDRMH-HZMBPMFUSA-N 1 1 309.370 -1.149 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)sn1 ZINC001439991224 928660526 /nfs/dbraw/zinc/66/05/26/928660526.db2.gz UERXUWNWEYBDCZ-LBPRGKRZSA-N 1 1 314.367 -1.196 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)sn1 ZINC001439991224 928660530 /nfs/dbraw/zinc/66/05/30/928660530.db2.gz UERXUWNWEYBDCZ-LBPRGKRZSA-N 1 1 314.367 -1.196 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)nn1 ZINC001439991937 928660766 /nfs/dbraw/zinc/66/07/66/928660766.db2.gz NQJAFFIISJXJEX-RISCZKNCSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)cc1=O ZINC001439990800 928660928 /nfs/dbraw/zinc/66/09/28/928660928.db2.gz HXRDKSDRZJKPPL-AWEZNQCLSA-N 1 1 310.354 -1.671 20 0 DAADMO COCC1(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCOCC1 ZINC001439994019 928660934 /nfs/dbraw/zinc/66/09/34/928660934.db2.gz ZRZNGTAMPTYSBB-OAHLLOKOSA-N 1 1 316.398 -1.025 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001439995194 928660982 /nfs/dbraw/zinc/66/09/82/928660982.db2.gz BTBAYGGOFGOEJH-IINYFYTJSA-N 1 1 320.353 -1.328 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001439990847 928661017 /nfs/dbraw/zinc/66/10/17/928661017.db2.gz PLDCFKHKQPAEPQ-AWEZNQCLSA-N 1 1 324.385 -1.635 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992036 928661085 /nfs/dbraw/zinc/66/10/85/928661085.db2.gz WZVYURRYRLHDPL-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001439992036 928661089 /nfs/dbraw/zinc/66/10/89/928661089.db2.gz WZVYURRYRLHDPL-MEBBXXQBSA-N 1 1 321.381 -1.130 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001440007866 928662234 /nfs/dbraw/zinc/66/22/34/928662234.db2.gz HAUBRKBZASYRCW-TVQRCGJNSA-N 1 1 313.358 -2.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001440007866 928662247 /nfs/dbraw/zinc/66/22/47/928662247.db2.gz HAUBRKBZASYRCW-TVQRCGJNSA-N 1 1 313.358 -2.691 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cccnn1 ZINC001440004861 928662374 /nfs/dbraw/zinc/66/23/74/928662374.db2.gz DZPLTUWQVDEFDN-WFASDCNBSA-N 1 1 319.365 -1.078 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001440002116 928662600 /nfs/dbraw/zinc/66/26/00/928662600.db2.gz PZIKWBPUYFXFNG-ZDUSSCGKSA-N 1 1 314.317 -1.529 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001440002116 928662614 /nfs/dbraw/zinc/66/26/14/928662614.db2.gz PZIKWBPUYFXFNG-ZDUSSCGKSA-N 1 1 314.317 -1.529 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)c1cn[nH]n1 ZINC001440003224 928662823 /nfs/dbraw/zinc/66/28/23/928662823.db2.gz NDHIRSVXGBRRMA-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)c1cnn[nH]1 ZINC001440003224 928662833 /nfs/dbraw/zinc/66/28/33/928662833.db2.gz NDHIRSVXGBRRMA-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)c1cnn[nH]1 ZINC001440003224 928662841 /nfs/dbraw/zinc/66/28/41/928662841.db2.gz NDHIRSVXGBRRMA-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC001440000111 928663200 /nfs/dbraw/zinc/66/32/00/928663200.db2.gz NFSIUUMCEUJQBJ-TWJWRFFLSA-N 1 1 323.393 -1.290 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)NC1CC1 ZINC001440000111 928663205 /nfs/dbraw/zinc/66/32/05/928663205.db2.gz NFSIUUMCEUJQBJ-TWJWRFFLSA-N 1 1 323.393 -1.290 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001440004916 928663234 /nfs/dbraw/zinc/66/32/34/928663234.db2.gz ANMZCWPVNRVVRA-SMDDNHRTSA-N 1 1 307.354 -1.062 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001440008522 928663317 /nfs/dbraw/zinc/66/33/17/928663317.db2.gz CGMJQVXJEXTFEE-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001440008522 928663318 /nfs/dbraw/zinc/66/33/18/928663318.db2.gz CGMJQVXJEXTFEE-QMTHXVAHSA-N 1 1 309.370 -1.057 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001440004612 928663322 /nfs/dbraw/zinc/66/33/22/928663322.db2.gz OZUTYVYCQAFXDE-CMPLNLGQSA-N 1 1 308.400 -1.381 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001440004612 928663324 /nfs/dbraw/zinc/66/33/24/928663324.db2.gz OZUTYVYCQAFXDE-CMPLNLGQSA-N 1 1 308.400 -1.381 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3ccccc23)C1 ZINC001440007451 928663410 /nfs/dbraw/zinc/66/34/10/928663410.db2.gz KGHDSEWXUBGHLH-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3ccccc23)C1 ZINC001440007451 928663416 /nfs/dbraw/zinc/66/34/16/928663416.db2.gz KGHDSEWXUBGHLH-OAHLLOKOSA-N 1 1 317.349 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001440000121 928663507 /nfs/dbraw/zinc/66/35/07/928663507.db2.gz NFTAKYKRFYDCRI-QMTHXVAHSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001440000121 928663511 /nfs/dbraw/zinc/66/35/11/928663511.db2.gz NFTAKYKRFYDCRI-QMTHXVAHSA-N 1 1 312.370 -2.094 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001440003651 928663573 /nfs/dbraw/zinc/66/35/73/928663573.db2.gz HENXJLHEMAHOGX-LKFCYVNXSA-N 1 1 310.354 -1.466 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001440003651 928663580 /nfs/dbraw/zinc/66/35/80/928663580.db2.gz HENXJLHEMAHOGX-LKFCYVNXSA-N 1 1 310.354 -1.466 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001440003652 928663700 /nfs/dbraw/zinc/66/37/00/928663700.db2.gz HENXJLHEMAHOGX-OTYXRUKQSA-N 1 1 310.354 -1.466 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001440003652 928663704 /nfs/dbraw/zinc/66/37/04/928663704.db2.gz HENXJLHEMAHOGX-OTYXRUKQSA-N 1 1 310.354 -1.466 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001439999427 928663766 /nfs/dbraw/zinc/66/37/66/928663766.db2.gz JVZAFWAHACFCIY-CQSZACIVSA-N 1 1 324.385 -1.194 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001439999427 928663773 /nfs/dbraw/zinc/66/37/73/928663773.db2.gz JVZAFWAHACFCIY-CQSZACIVSA-N 1 1 324.385 -1.194 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007467 928663801 /nfs/dbraw/zinc/66/38/01/928663801.db2.gz KITCEHZUQXAAFF-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007467 928663806 /nfs/dbraw/zinc/66/38/06/928663806.db2.gz KITCEHZUQXAAFF-IINYFYTJSA-N 1 1 307.354 -1.222 20 0 DAADMO O=C(CCn1cnnn1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001440006398 928663818 /nfs/dbraw/zinc/66/38/18/928663818.db2.gz HMDUJWRGRMRSGB-GFCCVEGCSA-N 1 1 300.338 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)COCC(F)F)C1 ZINC001440007962 928664028 /nfs/dbraw/zinc/66/40/28/928664028.db2.gz GIRGUFJQKBHRFT-ZANVPECISA-N 1 1 323.340 -1.044 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440004055 928664143 /nfs/dbraw/zinc/66/41/43/928664143.db2.gz VGJUKVWTNCLTSV-CYBMUJFWSA-N 1 1 319.325 -2.224 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440004055 928664151 /nfs/dbraw/zinc/66/41/51/928664151.db2.gz VGJUKVWTNCLTSV-CYBMUJFWSA-N 1 1 319.325 -2.224 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(OC)n2)C1 ZINC001440000308 928664164 /nfs/dbraw/zinc/66/41/64/928664164.db2.gz MSNZMLWHYAAPPM-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc(OC)n2)C1 ZINC001440000308 928664176 /nfs/dbraw/zinc/66/41/76/928664176.db2.gz MSNZMLWHYAAPPM-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001440008524 928664234 /nfs/dbraw/zinc/66/42/34/928664234.db2.gz CGMJQVXJEXTFEE-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001440008524 928664240 /nfs/dbraw/zinc/66/42/40/928664240.db2.gz CGMJQVXJEXTFEE-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001440020822 928669244 /nfs/dbraw/zinc/66/92/44/928669244.db2.gz SXVSMUKQYQUBBM-JQWIXIFHSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022894 928669167 /nfs/dbraw/zinc/66/91/67/928669167.db2.gz MIXUNXWKHMMKSO-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022894 928669171 /nfs/dbraw/zinc/66/91/71/928669171.db2.gz MIXUNXWKHMMKSO-ZUZCIYMTSA-N 1 1 322.365 -1.574 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001440021750 928669733 /nfs/dbraw/zinc/66/97/33/928669733.db2.gz VKPBKBXBSBECFY-HZMBPMFUSA-N 1 1 322.369 -2.121 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001440021750 928669739 /nfs/dbraw/zinc/66/97/39/928669739.db2.gz VKPBKBXBSBECFY-HZMBPMFUSA-N 1 1 322.369 -2.121 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440019046 928669874 /nfs/dbraw/zinc/66/98/74/928669874.db2.gz YCBKGTGSYXIHEE-OAHLLOKOSA-N 1 1 323.397 -1.382 20 0 DAADMO Cc1nn(C)c(C)c1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440019046 928669885 /nfs/dbraw/zinc/66/98/85/928669885.db2.gz YCBKGTGSYXIHEE-OAHLLOKOSA-N 1 1 323.397 -1.382 20 0 DAADMO O=C(Cc1nc2ncccn2n1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001440018635 928670142 /nfs/dbraw/zinc/67/01/42/928670142.db2.gz BTMYOGMCDAHCQV-CQSZACIVSA-N 1 1 320.353 -1.788 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3cncn3)C2)C1=O ZINC001440023543 928670325 /nfs/dbraw/zinc/67/03/25/928670325.db2.gz NAGIIVGOYLCPEO-FZMZJTMJSA-N 1 1 322.369 -1.938 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN([C@H](C)C(N)=O)C1 ZINC001440019712 928670344 /nfs/dbraw/zinc/67/03/44/928670344.db2.gz ZDRKKQGMCKWRSJ-RISCZKNCSA-N 1 1 300.403 -1.245 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)ccn1 ZINC001440016778 928670650 /nfs/dbraw/zinc/67/06/50/928670650.db2.gz TXNSSKPTGMPXPH-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)ccn1 ZINC001440016778 928670653 /nfs/dbraw/zinc/67/06/53/928670653.db2.gz TXNSSKPTGMPXPH-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)CCNC(N)=O)C2)cn1 ZINC001440026213 928671693 /nfs/dbraw/zinc/67/16/93/928671693.db2.gz YYKCJLMADFDLLS-AWEZNQCLSA-N 1 1 324.385 -1.469 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001440024513 928671710 /nfs/dbraw/zinc/67/17/10/928671710.db2.gz PWVIWRFMNUZKDJ-YPMHNXCESA-N 1 1 313.358 -2.162 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440024279 928672037 /nfs/dbraw/zinc/67/20/37/928672037.db2.gz QCNNDSRUCVZLJB-RNCFNFMXSA-N 1 1 310.358 -1.836 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001440024888 928672404 /nfs/dbraw/zinc/67/24/04/928672404.db2.gz UAGZJEACCVDBEU-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1nccc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001440024888 928672414 /nfs/dbraw/zinc/67/24/14/928672414.db2.gz UAGZJEACCVDBEU-IUODEOHRSA-N 1 1 319.365 -1.160 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@H]2CCNC2=O)C1 ZINC001440027193 928672551 /nfs/dbraw/zinc/67/25/51/928672551.db2.gz ZDXHKUCWCFBSBF-SWLSCSKDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@@H]2CCNC2=O)C1 ZINC001440027191 928673071 /nfs/dbraw/zinc/67/30/71/928673071.db2.gz ZDXHKUCWCFBSBF-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440030504 928674116 /nfs/dbraw/zinc/67/41/16/928674116.db2.gz HRBSCDFSDPLIPW-OAHLLOKOSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440030504 928674122 /nfs/dbraw/zinc/67/41/22/928674122.db2.gz HRBSCDFSDPLIPW-OAHLLOKOSA-N 1 1 323.397 -1.039 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001440033280 928674265 /nfs/dbraw/zinc/67/42/65/928674265.db2.gz OPWIZLFJVGZVFQ-GWCFXTLKSA-N 1 1 300.359 -1.925 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035701 928674966 /nfs/dbraw/zinc/67/49/66/928674966.db2.gz ULPMZJFNQIPNQE-NOZJJQNGSA-N 1 1 300.359 -1.931 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001440035701 928674975 /nfs/dbraw/zinc/67/49/75/928674975.db2.gz ULPMZJFNQIPNQE-NOZJJQNGSA-N 1 1 300.359 -1.931 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)nn1 ZINC001440031427 928675051 /nfs/dbraw/zinc/67/50/51/928675051.db2.gz KDRKOKPVMQYGMH-ZDUSSCGKSA-N 1 1 310.358 -2.214 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)nn1 ZINC001440031427 928675059 /nfs/dbraw/zinc/67/50/59/928675059.db2.gz KDRKOKPVMQYGMH-ZDUSSCGKSA-N 1 1 310.358 -2.214 20 0 DAADMO Cc1oncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001440041974 928678998 /nfs/dbraw/zinc/67/89/98/928678998.db2.gz MCULQWZQADIPSR-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1oncc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001440041974 928679000 /nfs/dbraw/zinc/67/90/00/928679000.db2.gz MCULQWZQADIPSR-ZDUSSCGKSA-N 1 1 324.381 -1.023 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN([C@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001440058026 928684164 /nfs/dbraw/zinc/68/41/64/928684164.db2.gz UFWFPYGCXPJALZ-UPJWGTAASA-N 1 1 324.425 -1.280 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCC2(O)CN(CC(N)=O)C2)no1 ZINC001440060585 928684446 /nfs/dbraw/zinc/68/44/46/928684446.db2.gz DUAOAJBMXSHFAF-UHFFFAOYSA-N 1 1 311.342 -2.002 20 0 DAADMO COC[C@@H](OC)C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001440080215 928690603 /nfs/dbraw/zinc/69/06/03/928690603.db2.gz ZXEFZHHBRQAAGJ-NWDGAFQWSA-N 1 1 302.371 -1.153 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN([C@@H]2CCN(C)C2=O)C1 ZINC001440095401 928693738 /nfs/dbraw/zinc/69/37/38/928693738.db2.gz QDTLTONHBNTZGV-GFCCVEGCSA-N 1 1 312.414 -1.280 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(Cc2nnnn2C)C1 ZINC001440097994 928694011 /nfs/dbraw/zinc/69/40/11/928694011.db2.gz XYKXWQXFINLUNA-UHFFFAOYSA-N 1 1 320.357 -1.922 20 0 DAADMO COCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001440126195 928696445 /nfs/dbraw/zinc/69/64/45/928696445.db2.gz FAPNQTSKBBLNOT-GARJFASQSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C1 ZINC001440145313 928696721 /nfs/dbraw/zinc/69/67/21/928696721.db2.gz VTAUYRMNRQHLAH-UTUOFQBUSA-N 1 1 319.427 -1.303 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]2C1 ZINC001440152922 928697119 /nfs/dbraw/zinc/69/71/19/928697119.db2.gz WSHFNOXMTWJBDW-AOOOYVTPSA-N 1 1 318.399 -2.069 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001440142994 928697317 /nfs/dbraw/zinc/69/73/17/928697317.db2.gz JZPBBXMDPXVBAE-TXEJJXNPSA-N 1 1 319.427 -1.302 20 0 DAADMO CCC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@@H](C)O)C1 ZINC001440161555 928698471 /nfs/dbraw/zinc/69/84/71/928698471.db2.gz AIBLXWURHDTFTM-RISCZKNCSA-N 1 1 301.387 -1.164 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001440161202 928698498 /nfs/dbraw/zinc/69/84/98/928698498.db2.gz UZYIWDVEDASLJD-OCAPTIKFSA-N 1 1 308.298 -1.732 20 0 DAADMO Cc1nnc(CC(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)[nH]1 ZINC001440169687 928698784 /nfs/dbraw/zinc/69/87/84/928698784.db2.gz BMVXHQQUWRJVGH-CQSZACIVSA-N 1 1 311.386 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@H+](CCCO)C2)n[nH]1 ZINC001440169687 928698794 /nfs/dbraw/zinc/69/87/94/928698794.db2.gz BMVXHQQUWRJVGH-CQSZACIVSA-N 1 1 311.386 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@@H+](CCCO)C2)n[nH]1 ZINC001440169687 928698799 /nfs/dbraw/zinc/69/87/99/928698799.db2.gz BMVXHQQUWRJVGH-CQSZACIVSA-N 1 1 311.386 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)[nH]1 ZINC001440169685 928699532 /nfs/dbraw/zinc/69/95/32/928699532.db2.gz BMVXHQQUWRJVGH-AWEZNQCLSA-N 1 1 311.386 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@H+](CCCO)C2)n[nH]1 ZINC001440169685 928699536 /nfs/dbraw/zinc/69/95/36/928699536.db2.gz BMVXHQQUWRJVGH-AWEZNQCLSA-N 1 1 311.386 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)n[nH]1 ZINC001440169685 928699545 /nfs/dbraw/zinc/69/95/45/928699545.db2.gz BMVXHQQUWRJVGH-AWEZNQCLSA-N 1 1 311.386 -1.019 20 0 DAADMO CCC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001440161553 928699560 /nfs/dbraw/zinc/69/95/60/928699560.db2.gz AIBLXWURHDTFTM-FZMZJTMJSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)c1cccn2nnnc12 ZINC001440171011 928699936 /nfs/dbraw/zinc/69/99/36/928699936.db2.gz HOMFGXBDJUIQOX-AWEZNQCLSA-N 1 1 320.353 -1.327 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001440186425 928700628 /nfs/dbraw/zinc/70/06/28/928700628.db2.gz BOIBNARFOVJOOW-IAQYHMDHSA-N 1 1 324.381 -1.282 20 0 DAADMO O=C(Cn1cnnn1)N[C@@]1(CO)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440184672 928700711 /nfs/dbraw/zinc/70/07/11/928700711.db2.gz WPAJAACGKTWLQP-JSGCOSHPSA-N 1 1 324.385 -1.347 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c1 ZINC001440183613 928700838 /nfs/dbraw/zinc/70/08/38/928700838.db2.gz FXDFYMKMJVMTDG-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO C[C@@H](CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1)NC(N)=O ZINC001440181248 928700912 /nfs/dbraw/zinc/70/09/12/928700912.db2.gz YNNWGUWRTXUROR-GXFFZTMASA-N 1 1 302.375 -1.631 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001440181788 928701313 /nfs/dbraw/zinc/70/13/13/928701313.db2.gz AEIMMPJTNIXYLE-QWRGUYRKSA-N 1 1 320.415 -1.902 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001440196770 928703413 /nfs/dbraw/zinc/70/34/13/928703413.db2.gz NWSVDPKMWGRNJS-YNEHKIRRSA-N 1 1 324.385 -1.254 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001440196760 928704039 /nfs/dbraw/zinc/70/40/39/928704039.db2.gz NWSVDPKMWGRNJS-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001440207429 928706270 /nfs/dbraw/zinc/70/62/70/928706270.db2.gz MYKJJVTUULJOSG-VXGBXAGGSA-N 1 1 300.403 -1.245 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)C1(n2cnnn2)CCOCC1 ZINC001440246072 928708446 /nfs/dbraw/zinc/70/84/46/928708446.db2.gz PUHCLJRPTNSHCE-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)C1(n2cnnn2)CCOCC1 ZINC001440246072 928708451 /nfs/dbraw/zinc/70/84/51/928708451.db2.gz PUHCLJRPTNSHCE-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254592 928709004 /nfs/dbraw/zinc/70/90/04/928709004.db2.gz QRPDXFYHKLIKKY-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254592 928709015 /nfs/dbraw/zinc/70/90/15/928709015.db2.gz QRPDXFYHKLIKKY-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCO)C(=O)C1(n2cnnn2)CCOCC1 ZINC001440246070 928709252 /nfs/dbraw/zinc/70/92/52/928709252.db2.gz PUHCLJRPTNSHCE-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)C1(n2cnnn2)CCOCC1 ZINC001440246070 928709259 /nfs/dbraw/zinc/70/92/59/928709259.db2.gz PUHCLJRPTNSHCE-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440250780 928709536 /nfs/dbraw/zinc/70/95/36/928709536.db2.gz XVNFEVSPOYWUOF-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440250780 928709542 /nfs/dbraw/zinc/70/95/42/928709542.db2.gz XVNFEVSPOYWUOF-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254598 928711142 /nfs/dbraw/zinc/71/11/42/928711142.db2.gz QRPDXFYHKLIKKY-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254598 928711150 /nfs/dbraw/zinc/71/11/50/928711150.db2.gz QRPDXFYHKLIKKY-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001440263347 928711385 /nfs/dbraw/zinc/71/13/85/928711385.db2.gz JXWUYXMCXVMVTL-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254601 928711485 /nfs/dbraw/zinc/71/14/85/928711485.db2.gz QRPDXFYHKLIKKY-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cnnn1 ZINC001440254601 928711489 /nfs/dbraw/zinc/71/14/89/928711489.db2.gz QRPDXFYHKLIKKY-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001440321901 928713491 /nfs/dbraw/zinc/71/34/91/928713491.db2.gz GSNKYKMTZBDQKX-MXWKQRLJSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CN(C)C(=O)N3)CCC2)n1 ZINC001440320288 928713939 /nfs/dbraw/zinc/71/39/39/928713939.db2.gz PCFQRIVDJWVVDB-NSHDSACASA-N 1 1 321.385 -1.033 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001440403998 928719524 /nfs/dbraw/zinc/71/95/24/928719524.db2.gz NWHQYZNUDOFVGP-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)S(C)(=O)=O ZINC001440390144 928720343 /nfs/dbraw/zinc/72/03/43/928720343.db2.gz MRFXJVXEQNWPGN-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001440384016 928720481 /nfs/dbraw/zinc/72/04/81/928720481.db2.gz FQZLREJAIIFGDX-WDEREUQCSA-N 1 1 311.386 -1.225 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001440397559 928720692 /nfs/dbraw/zinc/72/06/92/928720692.db2.gz FTWQFQOOFJNDII-LLVKDONJSA-N 1 1 324.385 -1.572 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001440383345 928721197 /nfs/dbraw/zinc/72/11/97/928721197.db2.gz RMGSKWMDNOBAGK-GFCCVEGCSA-N 1 1 323.353 -1.087 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCOCC1 ZINC001440438803 928721962 /nfs/dbraw/zinc/72/19/62/928721962.db2.gz XROARPBUATZTHP-LBPRGKRZSA-N 1 1 300.403 -1.027 20 0 DAADMO CCOCC(=O)NCc1nc(C[NH2+][C@H](C)C(N)=O)cc(=O)[nH]1 ZINC001440410027 928722141 /nfs/dbraw/zinc/72/21/41/928722141.db2.gz FMULSRUKVQWYCC-MRVPVSSYSA-N 1 1 311.342 -1.202 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001440444583 928722235 /nfs/dbraw/zinc/72/22/35/928722235.db2.gz FVUUQUQRFFTAEF-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001440444583 928722244 /nfs/dbraw/zinc/72/22/44/928722244.db2.gz FVUUQUQRFFTAEF-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]2C1 ZINC001440451114 928722304 /nfs/dbraw/zinc/72/23/04/928722304.db2.gz OQKYXCJDOVRDQS-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]2C1 ZINC001440449144 928723299 /nfs/dbraw/zinc/72/32/99/928723299.db2.gz KNCUIDAMWJATFF-WOPDTQHZSA-N 1 1 323.397 -1.416 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001440441300 928723638 /nfs/dbraw/zinc/72/36/38/928723638.db2.gz BRZQDXUHUSHLQP-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001440441300 928723644 /nfs/dbraw/zinc/72/36/44/928723644.db2.gz BRZQDXUHUSHLQP-LLVKDONJSA-N 1 1 307.354 -1.139 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001440438244 928723998 /nfs/dbraw/zinc/72/39/98/928723998.db2.gz UYPNGUZRWUNKOR-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001440454011 928724183 /nfs/dbraw/zinc/72/41/83/928724183.db2.gz LDKIGSHMDHACDO-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001440454011 928724192 /nfs/dbraw/zinc/72/41/92/928724192.db2.gz LDKIGSHMDHACDO-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCN(C)C(=O)c1nccnc1C(N)=O ZINC001440467276 928725677 /nfs/dbraw/zinc/72/56/77/928725677.db2.gz INFMAMGVRCOEHD-UHFFFAOYSA-N 1 1 322.369 -1.285 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001440457783 928725765 /nfs/dbraw/zinc/72/57/65/928725765.db2.gz VJHWFCQSDTUBGA-UWVGGRQHSA-N 1 1 314.342 -2.135 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001440457783 928725770 /nfs/dbraw/zinc/72/57/70/928725770.db2.gz VJHWFCQSDTUBGA-UWVGGRQHSA-N 1 1 314.342 -2.135 20 0 DAADMO CN(CCC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001440463910 928726807 /nfs/dbraw/zinc/72/68/07/928726807.db2.gz VZTATWWCOMKXPM-NSHDSACASA-N 1 1 309.374 -1.223 20 0 DAADMO CN(CCC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001440463910 928726812 /nfs/dbraw/zinc/72/68/12/928726812.db2.gz VZTATWWCOMKXPM-NSHDSACASA-N 1 1 309.374 -1.223 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001440458431 928726943 /nfs/dbraw/zinc/72/69/43/928726943.db2.gz QMSJDPLGLOBALF-LBPRGKRZSA-N 1 1 320.411 -1.691 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CC[N@@H+]1CC(=O)NC1CC1 ZINC001440502819 928727816 /nfs/dbraw/zinc/72/78/16/928727816.db2.gz JGFQPODDIGCOHW-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CC[N@H+]1CC(=O)NC1CC1 ZINC001440502819 928727821 /nfs/dbraw/zinc/72/78/21/928727821.db2.gz JGFQPODDIGCOHW-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@@](CO)([NH2+]Cc2nncn2C)C1 ZINC001440542909 928727904 /nfs/dbraw/zinc/72/79/04/928727904.db2.gz UNSBQFDQKMJMQB-CQSZACIVSA-N 1 1 324.385 -1.606 20 0 DAADMO Cn1cc(C[NH2+][C@]2(CO)CCCN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001440544018 928728140 /nfs/dbraw/zinc/72/81/40/928728140.db2.gz HWKQAOCZKSMAHI-CYBMUJFWSA-N 1 1 320.357 -1.310 20 0 DAADMO CN(C)C(=O)CN[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440550851 928730386 /nfs/dbraw/zinc/73/03/86/928730386.db2.gz QUFLTIRYRPOXAH-OAHLLOKOSA-N 1 1 314.430 -1.031 20 0 DAADMO Cn1cc(C[NH2+]C2CC(CNC(=O)CS(C)(=O)=O)C2)nn1 ZINC001440558238 928730856 /nfs/dbraw/zinc/73/08/56/928730856.db2.gz GRSUSEZXLUIYKP-UHFFFAOYSA-N 1 1 315.399 -1.156 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCNC2=O)CCOCC1)c1cnn[nH]1 ZINC001440572897 928732929 /nfs/dbraw/zinc/73/29/29/928732929.db2.gz TZSYFVWKBAEPQS-VIFPVBQESA-N 1 1 308.342 -1.438 20 0 DAADMO CN1CC(C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)=NC1=O ZINC001440574569 928733370 /nfs/dbraw/zinc/73/33/70/928733370.db2.gz OUPRNDSNVMKDMO-UHFFFAOYSA-N 1 1 311.342 -1.520 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC001440619007 928735415 /nfs/dbraw/zinc/73/54/15/928735415.db2.gz CDXWHHXSMCGZSP-JTQLQIEISA-N 1 1 322.431 -1.751 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC001440626910 928735697 /nfs/dbraw/zinc/73/56/97/928735697.db2.gz VNOJLUDDKKNSRK-JTQLQIEISA-N 1 1 307.416 -1.255 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC001440621588 928735782 /nfs/dbraw/zinc/73/57/82/928735782.db2.gz DLUCAHJCHDQLOP-UHFFFAOYSA-N 1 1 311.430 -1.358 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnn(C)n1 ZINC001440657588 928738330 /nfs/dbraw/zinc/73/83/30/928738330.db2.gz YDPJLXPWYGSTFB-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2ccn(C)n2)CC1 ZINC001440695452 928739554 /nfs/dbraw/zinc/73/95/54/928739554.db2.gz FMMNNBNDIXZDHS-NSHDSACASA-N 1 1 323.397 -1.221 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001440697614 928739662 /nfs/dbraw/zinc/73/96/62/928739662.db2.gz UWTYPBNCZIPVGR-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC001440729979 928739738 /nfs/dbraw/zinc/73/97/38/928739738.db2.gz HMVRGYUIDVKOHE-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CC2(O)CCC2)CC1 ZINC001440698087 928740185 /nfs/dbraw/zinc/74/01/85/928740185.db2.gz WNKBUGYFHLQWHX-UHFFFAOYSA-N 1 1 313.398 -1.019 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCO ZINC001440730751 928740947 /nfs/dbraw/zinc/74/09/47/928740947.db2.gz HIVYDOJYEHJXTA-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001440723670 928741581 /nfs/dbraw/zinc/74/15/81/928741581.db2.gz IANGRVGCPFCHQR-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001440777710 928743287 /nfs/dbraw/zinc/74/32/87/928743287.db2.gz HMCGZQXOYMVEEY-RKDXNWHRSA-N 1 1 309.374 -1.281 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC[C@H]2C[N@@H+](C)CCO)c1=O ZINC001440742214 928743335 /nfs/dbraw/zinc/74/33/35/928743335.db2.gz YZYZBZVHYJLXKP-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@@H](NC(=O)c1nccnc1N)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001440768158 928743597 /nfs/dbraw/zinc/74/35/97/928743597.db2.gz CNSUYFVJRKZADR-HTQZYQBOSA-N 1 1 305.346 -1.121 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001440736456 928743867 /nfs/dbraw/zinc/74/38/67/928743867.db2.gz PSITUHLKZPERJF-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001440736456 928743869 /nfs/dbraw/zinc/74/38/69/928743869.db2.gz PSITUHLKZPERJF-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440824638 928746241 /nfs/dbraw/zinc/74/62/41/928746241.db2.gz XQCMZRTWWJJZJP-YUMQZZPRSA-N 1 1 306.330 -1.410 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)[NH2+]Cc1ncccn1 ZINC001440829489 928746500 /nfs/dbraw/zinc/74/65/00/928746500.db2.gz RNGKAWUSJXELEQ-VXGBXAGGSA-N 1 1 320.397 -1.109 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)n1C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440816395 928746829 /nfs/dbraw/zinc/74/68/29/928746829.db2.gz KEUGQCWKONVZIT-JGVFFNPUSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001440816398 928746898 /nfs/dbraw/zinc/74/68/98/928746898.db2.gz KEUGQCWKONVZIT-SFYZADRCSA-N 1 1 308.346 -1.054 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001440893468 928748380 /nfs/dbraw/zinc/74/83/80/928748380.db2.gz UCXQLYOHNANADV-BDAKNGLRSA-N 1 1 314.342 -1.106 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001440905538 928748499 /nfs/dbraw/zinc/74/84/99/928748499.db2.gz WBPUDIGGFMMREB-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001440905538 928748507 /nfs/dbraw/zinc/74/85/07/928748507.db2.gz WBPUDIGGFMMREB-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001440906589 928748661 /nfs/dbraw/zinc/74/86/61/928748661.db2.gz HVQQZIOWLFUSRU-BDAKNGLRSA-N 1 1 323.419 -1.971 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NC(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001440906589 928748671 /nfs/dbraw/zinc/74/86/71/928748671.db2.gz HVQQZIOWLFUSRU-BDAKNGLRSA-N 1 1 323.419 -1.971 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001440900893 928748935 /nfs/dbraw/zinc/74/89/35/928748935.db2.gz IMKZHZMLDCYLNB-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001440900893 928748944 /nfs/dbraw/zinc/74/89/44/928748944.db2.gz IMKZHZMLDCYLNB-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440891978 928749257 /nfs/dbraw/zinc/74/92/57/928749257.db2.gz OFOAJTWDIAXRSX-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440891978 928749269 /nfs/dbraw/zinc/74/92/69/928749269.db2.gz OFOAJTWDIAXRSX-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001440913513 928749327 /nfs/dbraw/zinc/74/93/27/928749327.db2.gz NLSTVYNOMPANPD-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001440913513 928749333 /nfs/dbraw/zinc/74/93/33/928749333.db2.gz NLSTVYNOMPANPD-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001440893471 928749820 /nfs/dbraw/zinc/74/98/20/928749820.db2.gz UCXQLYOHNANADV-RKDXNWHRSA-N 1 1 314.342 -1.106 20 0 DAADMO COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001440944543 928751192 /nfs/dbraw/zinc/75/11/92/928751192.db2.gz YPGYIFWIDQBREX-ONGXEEELSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001440944543 928751199 /nfs/dbraw/zinc/75/11/99/928751199.db2.gz YPGYIFWIDQBREX-ONGXEEELSA-N 1 1 308.400 -1.525 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001440958696 928751279 /nfs/dbraw/zinc/75/12/79/928751279.db2.gz WCMBSFYCBAHIBF-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[N@H+](C)C[C@H](C)O ZINC001440949733 928751416 /nfs/dbraw/zinc/75/14/16/928751416.db2.gz YZQGZOPSUZGXAD-NEPJUHHUSA-N 1 1 300.403 -1.422 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930792 928751542 /nfs/dbraw/zinc/75/15/42/928751542.db2.gz AHVFIGAJJUQKMV-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930792 928751545 /nfs/dbraw/zinc/75/15/45/928751545.db2.gz AHVFIGAJJUQKMV-UWVGGRQHSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001440949739 928751765 /nfs/dbraw/zinc/75/17/65/928751765.db2.gz YZQGZOPSUZGXAD-VXGBXAGGSA-N 1 1 300.403 -1.422 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001440958701 928751873 /nfs/dbraw/zinc/75/18/73/928751873.db2.gz WCMBSFYCBAHIBF-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930794 928752016 /nfs/dbraw/zinc/75/20/16/928752016.db2.gz AHVFIGAJJUQKMV-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001440930794 928752030 /nfs/dbraw/zinc/75/20/30/928752030.db2.gz AHVFIGAJJUQKMV-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001440978668 928753317 /nfs/dbraw/zinc/75/33/17/928753317.db2.gz UIAQEICXSLQZBI-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001440978668 928753326 /nfs/dbraw/zinc/75/33/26/928753326.db2.gz UIAQEICXSLQZBI-SCZZXKLOSA-N 1 1 315.374 -2.451 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)[N@@H+](C)CCN1CCNC1=O ZINC001441005662 928753411 /nfs/dbraw/zinc/75/34/11/928753411.db2.gz HFAXVMCEOMKQQB-JTQLQIEISA-N 1 1 314.390 -1.494 20 0 DAADMO C[C@@H](CNC(=O)c1cccn2c1n[nH]c2=O)[N@H+](C)CC(N)=O ZINC001441005861 928754242 /nfs/dbraw/zinc/75/42/42/928754242.db2.gz RXRWYZMNMFHQOO-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](CNC(=O)c1cccn2c1n[nH]c2=O)[N@@H+](C)CC(N)=O ZINC001441005861 928754249 /nfs/dbraw/zinc/75/42/49/928754249.db2.gz RXRWYZMNMFHQOO-QMMMGPOBSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)[N@@H+](C)CCCO ZINC001440978792 928754264 /nfs/dbraw/zinc/75/42/64/928754264.db2.gz UWZKNOGGFUPAIX-NSHDSACASA-N 1 1 322.369 -1.290 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001440995352 928754343 /nfs/dbraw/zinc/75/43/43/928754343.db2.gz ARRTWFBRIWPLSX-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001440995352 928754353 /nfs/dbraw/zinc/75/43/53/928754353.db2.gz ARRTWFBRIWPLSX-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001441025552 928755715 /nfs/dbraw/zinc/75/57/15/928755715.db2.gz AMVABIDZUZBIFM-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC001441034617 928756177 /nfs/dbraw/zinc/75/61/77/928756177.db2.gz FMSILFVPQASSMS-MNOVXSKESA-N 1 1 322.431 -1.344 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001441046979 928759339 /nfs/dbraw/zinc/75/93/39/928759339.db2.gz YTICBOOIOFVHRJ-UHFFFAOYSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001441083425 928765852 /nfs/dbraw/zinc/76/58/52/928765852.db2.gz AMFWMBCZWPJFDU-KBPBESRZSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001441097053 928768116 /nfs/dbraw/zinc/76/81/16/928768116.db2.gz OGENIPWACVSRBW-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001441097053 928768125 /nfs/dbraw/zinc/76/81/25/928768125.db2.gz OGENIPWACVSRBW-RKDXNWHRSA-N 1 1 306.388 -2.010 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001441105886 928768434 /nfs/dbraw/zinc/76/84/34/928768434.db2.gz OGKAQIHYYCKSKN-MWLCHTKSSA-N 1 1 300.359 -2.190 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001441105885 928769003 /nfs/dbraw/zinc/76/90/03/928769003.db2.gz OGKAQIHYYCKSKN-KOLCDFICSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001441127774 928769196 /nfs/dbraw/zinc/76/91/96/928769196.db2.gz FNRYFDDYCDHISG-GHMZBOCLSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001441127774 928769201 /nfs/dbraw/zinc/76/92/01/928769201.db2.gz FNRYFDDYCDHISG-GHMZBOCLSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC001441172550 928770349 /nfs/dbraw/zinc/77/03/49/928770349.db2.gz QWRWMKXZDFZVME-JTQLQIEISA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001441188561 928774054 /nfs/dbraw/zinc/77/40/54/928774054.db2.gz OKUGDSUMCJPIEL-SECBINFHSA-N 1 1 317.357 -1.120 20 0 DAADMO Cn1ncnc1C[NH2+][C@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001441233968 928775827 /nfs/dbraw/zinc/77/58/27/928775827.db2.gz DRNLQUVCTUABQV-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC001441270468 928776894 /nfs/dbraw/zinc/77/68/94/928776894.db2.gz FXJGXIAKJIGECP-ZSOGYDGISA-N 1 1 322.409 -1.105 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001441296119 928777249 /nfs/dbraw/zinc/77/72/49/928777249.db2.gz FBLIJKATEAJZEH-ZDEQEGDKSA-N 1 1 311.382 -1.480 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001441272404 928777287 /nfs/dbraw/zinc/77/72/87/928777287.db2.gz IJYNKCYDWGGUKI-YFKTTZPYSA-N 1 1 324.381 -1.087 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001441293663 928777317 /nfs/dbraw/zinc/77/73/17/928777317.db2.gz LNINUSMHSHVQPZ-YFKTTZPYSA-N 1 1 321.385 -1.379 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)cn1 ZINC001441263660 928777405 /nfs/dbraw/zinc/77/74/05/928777405.db2.gz WTFVIDGNVZQADJ-XYYAHUGASA-N 1 1 316.369 -1.099 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cnnn3)[C@@H]2C1 ZINC001441283918 928778052 /nfs/dbraw/zinc/77/80/52/928778052.db2.gz BWPYLNMNXBOKNB-FIQHERPVSA-N 1 1 321.385 -1.508 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001441314196 928778950 /nfs/dbraw/zinc/77/89/50/928778950.db2.gz SEELUJYSFGVWEZ-XWLWVQCSSA-N 1 1 311.386 -1.656 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001441311809 928779453 /nfs/dbraw/zinc/77/94/53/928779453.db2.gz UVPFWVPDACYWKF-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC001441307532 928779686 /nfs/dbraw/zinc/77/96/86/928779686.db2.gz NGSMAEIYGVQCJH-ZDEQEGDKSA-N 1 1 322.409 -1.105 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001441314150 928780575 /nfs/dbraw/zinc/78/05/75/928780575.db2.gz SEELUJYSFGVWEZ-DBIOUOCHSA-N 1 1 311.386 -1.656 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001441320378 928781525 /nfs/dbraw/zinc/78/15/25/928781525.db2.gz UQYCFBYRVDXQFC-VHSXEESVSA-N 1 1 310.358 -1.572 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001441336304 928781596 /nfs/dbraw/zinc/78/15/96/928781596.db2.gz SYSOIPDVEGNYOO-JQWIXIFHSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001441336304 928781606 /nfs/dbraw/zinc/78/16/06/928781606.db2.gz SYSOIPDVEGNYOO-JQWIXIFHSA-N 1 1 324.385 -1.311 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441329985 928781785 /nfs/dbraw/zinc/78/17/85/928781785.db2.gz YPNWSRZDIGGZRR-YFKTTZPYSA-N 1 1 308.382 -1.176 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001441320362 928782512 /nfs/dbraw/zinc/78/25/12/928782512.db2.gz UQYCFBYRVDXQFC-NXEZZACHSA-N 1 1 310.358 -1.572 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441327581 928782597 /nfs/dbraw/zinc/78/25/97/928782597.db2.gz XHYTWQHVFPZFCL-CHWFTXMASA-N 1 1 309.370 -1.773 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001441336305 928782777 /nfs/dbraw/zinc/78/27/77/928782777.db2.gz SYSOIPDVEGNYOO-PWSUYJOCSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001441336305 928782780 /nfs/dbraw/zinc/78/27/80/928782780.db2.gz SYSOIPDVEGNYOO-PWSUYJOCSA-N 1 1 324.385 -1.311 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441321009 928782938 /nfs/dbraw/zinc/78/29/38/928782938.db2.gz RXHNOZNKKOGGJN-OWUUHHOZSA-N 1 1 318.399 -2.343 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)NC(N)=O ZINC001441335114 928783060 /nfs/dbraw/zinc/78/30/60/928783060.db2.gz TTXOTTZTCXUFFX-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC([N@@H+](C)CCOC)CC1 ZINC001441394473 928786702 /nfs/dbraw/zinc/78/67/02/928786702.db2.gz QDPYCERQKYBBDJ-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001441404144 928787862 /nfs/dbraw/zinc/78/78/62/928787862.db2.gz NNTBHXBAEXJEFG-DCAQKATOSA-N 1 1 309.374 -1.138 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H](C[NH2+]Cc1ncnn1C)C1CC1 ZINC001441452452 928788913 /nfs/dbraw/zinc/78/89/13/928788913.db2.gz VLIUJNKXBLYRFM-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441451878 928789591 /nfs/dbraw/zinc/78/95/91/928789591.db2.gz ZUUDGBVXSLCSQF-LLVKDONJSA-N 1 1 319.373 -1.172 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441480726 928792176 /nfs/dbraw/zinc/79/21/76/928792176.db2.gz XRZKQWUNKCUNNX-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CN2CCOCC2=O)[nH]1 ZINC001441531117 928793532 /nfs/dbraw/zinc/79/35/32/928793532.db2.gz DNJBSJMLZXAUMJ-SNVBAGLBSA-N 1 1 324.385 -1.092 20 0 DAADMO CO[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCOC1 ZINC001441504076 928793958 /nfs/dbraw/zinc/79/39/58/928793958.db2.gz DRMKOLQGYXLZHV-MEWQQHAOSA-N 1 1 324.385 -1.002 20 0 DAADMO CO[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@@H]1CCOC1 ZINC001441504069 928794203 /nfs/dbraw/zinc/79/42/03/928794203.db2.gz DRMKOLQGYXLZHV-HNCHTBHHSA-N 1 1 324.385 -1.002 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001441572567 928798638 /nfs/dbraw/zinc/79/86/38/928798638.db2.gz MOGWRLRGDQKMRT-QWRGUYRKSA-N 1 1 307.416 -1.255 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001441590365 928800079 /nfs/dbraw/zinc/80/00/79/928800079.db2.gz PIJUGIVIJSPEMH-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441596486 928800514 /nfs/dbraw/zinc/80/05/14/928800514.db2.gz ORVQUHRVMUFCMW-PSASIEDQSA-N 1 1 322.373 -1.374 20 0 DAADMO CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001441650415 928804029 /nfs/dbraw/zinc/80/40/29/928804029.db2.gz FLRCAQZXQPIIKL-NSHDSACASA-N 1 1 314.386 -1.798 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2COCCO2)ncn1 ZINC001441666117 928807204 /nfs/dbraw/zinc/80/72/04/928807204.db2.gz BOYXYJVPOHQINZ-CHWSQXEVSA-N 1 1 310.354 -1.233 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441669323 928808787 /nfs/dbraw/zinc/80/87/87/928808787.db2.gz PGFGYLVLZMTJNX-GXFFZTMASA-N 1 1 311.386 -1.180 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001441671228 928809014 /nfs/dbraw/zinc/80/90/14/928809014.db2.gz SDORGKYIEXVAPV-JQWIXIFHSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccnc1C ZINC001441668442 928809518 /nfs/dbraw/zinc/80/95/18/928809518.db2.gz DIWJWJUHLIJSDN-LBPRGKRZSA-N 1 1 309.370 -1.170 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)ncn1 ZINC001441680073 928811307 /nfs/dbraw/zinc/81/13/07/928811307.db2.gz BZKATLBRKKEOTP-DGCLKSJQSA-N 1 1 321.381 -1.122 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441679476 928812724 /nfs/dbraw/zinc/81/27/24/928812724.db2.gz YFOIXWMOOIRBTI-UWVGGRQHSA-N 1 1 316.358 -2.954 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)ncn1 ZINC001441683977 928814282 /nfs/dbraw/zinc/81/42/82/928814282.db2.gz VMMQKZOWQNOPDZ-VXGBXAGGSA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COC(=O)N2)ncn1 ZINC001441694364 928816657 /nfs/dbraw/zinc/81/66/57/928816657.db2.gz HSGONFKKNSQTBC-MNOVXSKESA-N 1 1 309.326 -1.540 20 0 DAADMO CCc1noc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001441698757 928820110 /nfs/dbraw/zinc/82/01/10/928820110.db2.gz QAAAFOUAEHXPED-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001441699180 928821775 /nfs/dbraw/zinc/82/17/75/928821775.db2.gz DKJWKAFHRCPTBV-SNVBAGLBSA-N 1 1 312.374 -1.799 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CO[C@H]1CCOC1 ZINC001441701242 928824590 /nfs/dbraw/zinc/82/45/90/928824590.db2.gz XXRGIJKOIQUHQG-PWSUYJOCSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001441704049 928825697 /nfs/dbraw/zinc/82/56/97/928825697.db2.gz BMKPBGNXKIDBLI-QWRGUYRKSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)o1 ZINC001441704600 928825999 /nfs/dbraw/zinc/82/59/99/928825999.db2.gz YTAVXSMGZMZMFN-AAEUAGOBSA-N 1 1 312.370 -1.120 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001441704528 928826335 /nfs/dbraw/zinc/82/63/35/928826335.db2.gz CKNKXAAQANFWKL-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001441704528 928826344 /nfs/dbraw/zinc/82/63/44/928826344.db2.gz CKNKXAAQANFWKL-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CN(C)CCO2)o1 ZINC001441704603 928826408 /nfs/dbraw/zinc/82/64/08/928826408.db2.gz YTAVXSMGZMZMFN-WCQYABFASA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cc3n(n2)CCC3)nn1 ZINC001441705040 928827211 /nfs/dbraw/zinc/82/72/11/928827211.db2.gz PVEMKSXAFZSYAY-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ncc(CN[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001441708508 928828679 /nfs/dbraw/zinc/82/86/79/928828679.db2.gz FYTOVEQJZBLRER-STQMWFEESA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC2CC2)n[nH]1 ZINC001441706668 928829887 /nfs/dbraw/zinc/82/98/87/928829887.db2.gz ULVADYXOOUZKGJ-KWQFWETISA-N 1 1 324.385 -1.611 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001441709455 928830993 /nfs/dbraw/zinc/83/09/93/928830993.db2.gz SKVUFKZRDNOWTJ-QWRGUYRKSA-N 1 1 324.385 -1.158 20 0 DAADMO Cc1cc(C)n(CC[NH2+][C@H](CO)CNC(=O)c2cnn[nH]2)n1 ZINC001441710595 928831201 /nfs/dbraw/zinc/83/12/01/928831201.db2.gz JKFNXLSXLIGGIB-NSHDSACASA-N 1 1 307.358 -1.001 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1nc(C)cs1 ZINC001441709529 928831521 /nfs/dbraw/zinc/83/15/21/928831521.db2.gz SZKFXZBEPQYZQR-SECBINFHSA-N 1 1 315.399 -1.053 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441709827 928831837 /nfs/dbraw/zinc/83/18/37/928831837.db2.gz HGPHPBYOWHXASH-RYUDHWBXSA-N 1 1 312.414 -1.197 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441710848 928831864 /nfs/dbraw/zinc/83/18/64/928831864.db2.gz UNGPPPSTFWOQQG-RYUDHWBXSA-N 1 1 309.370 -1.312 20 0 DAADMO Cn1cc(CN[C@@H](CO)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001441713326 928831925 /nfs/dbraw/zinc/83/19/25/928831925.db2.gz LFKRDHMPNQVPKS-CHWSQXEVSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cn[nH]c(=O)c1 ZINC001441718067 928838422 /nfs/dbraw/zinc/83/84/22/928838422.db2.gz OAXJHDUPOSUUEH-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001441718312 928838979 /nfs/dbraw/zinc/83/89/79/928838979.db2.gz WZEHBBHCKLSRBR-WCQYABFASA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NCc1cnn(C)n1 ZINC001441721695 928839672 /nfs/dbraw/zinc/83/96/72/928839672.db2.gz OKAJKIDLBVDJKN-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NCc1cnn(C)n1 ZINC001441721694 928842058 /nfs/dbraw/zinc/84/20/58/928842058.db2.gz OKAJKIDLBVDJKN-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001441736701 928846082 /nfs/dbraw/zinc/84/60/82/928846082.db2.gz QVEDDZFEYIUVJO-WUHRBBMRSA-N 1 1 322.365 -1.056 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)cn2)n1 ZINC001441741667 928848429 /nfs/dbraw/zinc/84/84/29/928848429.db2.gz NLEFWNFOFMTEGD-LLVKDONJSA-N 1 1 320.353 -1.133 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@]1(F)CCOC1 ZINC001441743529 928848810 /nfs/dbraw/zinc/84/88/10/928848810.db2.gz SJRFDOLBUSUOOA-GWCFXTLKSA-N 1 1 315.349 -1.007 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001441741913 928848998 /nfs/dbraw/zinc/84/89/98/928848998.db2.gz NWNQUXAJWZRHOF-QMMMGPOBSA-N 1 1 307.314 -2.221 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001441753794 928851233 /nfs/dbraw/zinc/85/12/33/928851233.db2.gz OUWSIQLGFLNFOA-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001441752758 928851715 /nfs/dbraw/zinc/85/17/15/928851715.db2.gz MVSGOPYPGLVINC-ZYHUDNBSSA-N 1 1 312.374 -1.704 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001441761908 928855591 /nfs/dbraw/zinc/85/55/91/928855591.db2.gz AODKFRYAZBGLTN-SNVBAGLBSA-N 1 1 322.373 -1.466 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCC(=O)N2C)n1 ZINC001441763048 928857809 /nfs/dbraw/zinc/85/78/09/928857809.db2.gz ARLADFQVOIJKKI-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2cnon2)n1 ZINC001441768829 928858518 /nfs/dbraw/zinc/85/85/18/928858518.db2.gz VAARBNTZYAKWBU-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO NC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001441777674 928859698 /nfs/dbraw/zinc/85/96/98/928859698.db2.gz OSTSNQINTNNHDL-UWVGGRQHSA-N 1 1 321.399 -2.247 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001441781947 928862835 /nfs/dbraw/zinc/86/28/35/928862835.db2.gz QCHYZCDJAJJKRP-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001441781947 928862844 /nfs/dbraw/zinc/86/28/44/928862844.db2.gz QCHYZCDJAJJKRP-RYUDHWBXSA-N 1 1 300.403 -1.327 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001441781941 928864121 /nfs/dbraw/zinc/86/41/21/928864121.db2.gz QCHYZCDJAJJKRP-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001441781941 928864132 /nfs/dbraw/zinc/86/41/32/928864132.db2.gz QCHYZCDJAJJKRP-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441800077 928868572 /nfs/dbraw/zinc/86/85/72/928868572.db2.gz ROCGOEUJSGNOFQ-ZJUUUORDSA-N 1 1 315.374 -2.540 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441800077 928868579 /nfs/dbraw/zinc/86/85/79/928868579.db2.gz ROCGOEUJSGNOFQ-ZJUUUORDSA-N 1 1 315.374 -2.540 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCCN2C(N)=O)n1 ZINC001441803473 928869531 /nfs/dbraw/zinc/86/95/31/928869531.db2.gz SXBOYMIJAVOHLI-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NC(=O)CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441799415 928869572 /nfs/dbraw/zinc/86/95/72/928869572.db2.gz YKJVSXXAIJWYLQ-SECBINFHSA-N 1 1 313.358 -2.656 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CCNC(N)=O ZINC001441834035 928874240 /nfs/dbraw/zinc/87/42/40/928874240.db2.gz ZUBDBGXSLCBUCY-DTWKUNHWSA-N 1 1 310.362 -1.653 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O ZINC001441840253 928874327 /nfs/dbraw/zinc/87/43/27/928874327.db2.gz ZRBIXYBCCOVPQM-SECBINFHSA-N 1 1 303.363 -2.412 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O ZINC001441840253 928874331 /nfs/dbraw/zinc/87/43/31/928874331.db2.gz ZRBIXYBCCOVPQM-SECBINFHSA-N 1 1 303.363 -2.412 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001441851416 928875985 /nfs/dbraw/zinc/87/59/85/928875985.db2.gz ALWSEPNDLNIAIK-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCNC(N)=O ZINC001441855386 928876815 /nfs/dbraw/zinc/87/68/15/928876815.db2.gz FDXWNPFSUSLAOZ-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001441878397 928876974 /nfs/dbraw/zinc/87/69/74/928876974.db2.gz QEKRMRKQQDPBNV-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN(C)S(C)(=O)=O)[nH]1 ZINC001441871934 928877467 /nfs/dbraw/zinc/87/74/67/928877467.db2.gz OSKKKRYGNCIJPF-QMMMGPOBSA-N 1 1 318.403 -1.401 20 0 DAADMO CCn1cc(C[NH2+][C@@H](C)CNC(=O)CN2CCOCC2=O)nn1 ZINC001441878077 928877910 /nfs/dbraw/zinc/87/79/10/928877910.db2.gz ZRKOZQOHISIFTE-NSHDSACASA-N 1 1 324.385 -1.249 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CCO ZINC001441877183 928878648 /nfs/dbraw/zinc/87/86/48/928878648.db2.gz DAKSPAFYISZQIR-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nnnn1C ZINC001441856776 928878810 /nfs/dbraw/zinc/87/88/10/928878810.db2.gz GTOPAGOTYBQDJM-SECBINFHSA-N 1 1 311.346 -2.337 20 0 DAADMO C[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001441911403 928880682 /nfs/dbraw/zinc/88/06/82/928880682.db2.gz WXPIAHOMLIJTPX-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1nnnn1C ZINC001441910911 928880866 /nfs/dbraw/zinc/88/08/66/928880866.db2.gz ULPUIUPXUSUMOO-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001441890175 928881201 /nfs/dbraw/zinc/88/12/01/928881201.db2.gz NEUHHGIHDNYHIQ-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001441913178 928881474 /nfs/dbraw/zinc/88/14/74/928881474.db2.gz HNFQLQUEWXJSNJ-NXEZZACHSA-N 1 1 323.401 -1.300 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CCn1cncn1 ZINC001441944153 928882785 /nfs/dbraw/zinc/88/27/85/928882785.db2.gz CPUCQMSOLKFSJI-NSHDSACASA-N 1 1 322.373 -1.594 20 0 DAADMO C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001441944531 928884307 /nfs/dbraw/zinc/88/43/07/928884307.db2.gz VGIZFBATLZUFLD-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1nccnc1N ZINC001441956235 928885372 /nfs/dbraw/zinc/88/53/72/928885372.db2.gz DFWUZBPYUTXQKY-SNVBAGLBSA-N 1 1 320.357 -1.590 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001441957555 928885613 /nfs/dbraw/zinc/88/56/13/928885613.db2.gz XZFXIEMHIZZRNH-GXSJLCMTSA-N 1 1 312.374 -1.579 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441951079 928886366 /nfs/dbraw/zinc/88/63/66/928886366.db2.gz NKJKNUAVHZEECV-AEJSXWLSSA-N 1 1 309.374 -1.201 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CN1CCCC1=O ZINC001441956541 928887062 /nfs/dbraw/zinc/88/70/62/928887062.db2.gz QCJIHCRPKHWXEL-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001441962447 928888291 /nfs/dbraw/zinc/88/82/91/928888291.db2.gz VDOYRKMJTGPVBE-RYUDHWBXSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cnn(C)c1 ZINC001441960241 928888515 /nfs/dbraw/zinc/88/85/15/928888515.db2.gz WPFPINYEJUYRSK-GFCCVEGCSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1ccn[nH]1 ZINC001441962450 928888641 /nfs/dbraw/zinc/88/86/41/928888641.db2.gz VDOYRKMJTGPVBE-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ncnn2C)c1 ZINC001441967277 928891899 /nfs/dbraw/zinc/89/18/99/928891899.db2.gz ROVQEVCKSFSPDO-LBPRGKRZSA-N 1 1 321.385 -1.071 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001441968535 928892238 /nfs/dbraw/zinc/89/22/38/928892238.db2.gz NWJLDHSZRHKTJO-NSHDSACASA-N 1 1 312.374 -1.750 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001441971577 928894747 /nfs/dbraw/zinc/89/47/47/928894747.db2.gz JGKCXXUZBSXGFK-BDAKNGLRSA-N 1 1 308.346 -1.283 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001441972406 928895493 /nfs/dbraw/zinc/89/54/93/928895493.db2.gz KWLCTNPYTMMIKE-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001441975098 928895520 /nfs/dbraw/zinc/89/55/20/928895520.db2.gz QBBPHBWXIDZATK-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1cnc[nH]1 ZINC001441983253 928897285 /nfs/dbraw/zinc/89/72/85/928897285.db2.gz JWEYJOFZPQTUIV-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001441978921 928897348 /nfs/dbraw/zinc/89/73/48/928897348.db2.gz FIBZLQSXYPFWMQ-WDEREUQCSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCNC(=O)C1 ZINC001441979478 928897486 /nfs/dbraw/zinc/89/74/86/928897486.db2.gz XWRAZMYFUICRBS-GXSJLCMTSA-N 1 1 311.342 -1.495 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001441979854 928898333 /nfs/dbraw/zinc/89/83/33/928898333.db2.gz ZEVITTDXYZGNAV-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)CNCc1ncnn1C ZINC001441987494 928899974 /nfs/dbraw/zinc/89/99/74/928899974.db2.gz AVKDWCQOYZUAAS-GFCCVEGCSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001441991471 928901103 /nfs/dbraw/zinc/90/11/03/928901103.db2.gz GMSFYZRVJSCJGI-BDAKNGLRSA-N 1 1 313.358 -1.717 20 0 DAADMO CO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001441999610 928902633 /nfs/dbraw/zinc/90/26/33/928902633.db2.gz PWJIMJRBVIMCJK-ZYHUDNBSSA-N 1 1 314.390 -1.210 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001441999552 928902668 /nfs/dbraw/zinc/90/26/68/928902668.db2.gz YMRVOGMTPGHUPK-VIFPVBQESA-N 1 1 313.362 -2.049 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnnn1C ZINC001442001113 928904235 /nfs/dbraw/zinc/90/42/35/928904235.db2.gz SCSUUZZOYVGJIM-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cscn1)C(=O)c1nnn(C)n1 ZINC001442009279 928904380 /nfs/dbraw/zinc/90/43/80/928904380.db2.gz RZRVVGMSOHZCPL-SECBINFHSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001442002257 928904430 /nfs/dbraw/zinc/90/44/30/928904430.db2.gz YAMIJSSKVASTLQ-BDAKNGLRSA-N 1 1 311.346 -2.595 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)NC1 ZINC001442005873 928905006 /nfs/dbraw/zinc/90/50/06/928905006.db2.gz UFTRJLLANAOBGV-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC(=O)NC1 ZINC001442007069 928905672 /nfs/dbraw/zinc/90/56/72/928905672.db2.gz UFTRJLLANAOBGV-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001442019223 928907977 /nfs/dbraw/zinc/90/79/77/928907977.db2.gz UWKUJGYRUBEZOA-QWRGUYRKSA-N 1 1 324.385 -1.406 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)C[C@H]1CCC(=O)N1 ZINC001442029167 928910033 /nfs/dbraw/zinc/91/00/33/928910033.db2.gz NGYISBFAVHQXAK-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)c1cnn(C)n1 ZINC001442033321 928910182 /nfs/dbraw/zinc/91/01/82/928910182.db2.gz SRQDVXLUDPKMFM-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nncn1C ZINC001442027606 928910820 /nfs/dbraw/zinc/91/08/20/928910820.db2.gz GGCAJKXMGZDDHD-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001442046273 928912499 /nfs/dbraw/zinc/91/24/99/928912499.db2.gz MNTYZEFRWSMYIC-VXGBXAGGSA-N 1 1 300.359 -1.218 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001442044442 928912730 /nfs/dbraw/zinc/91/27/30/928912730.db2.gz CBUDNRYZDJKCLS-NWDGAFQWSA-N 1 1 301.387 -1.402 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001442044445 928912764 /nfs/dbraw/zinc/91/27/64/928912764.db2.gz CBUDNRYZDJKCLS-RYUDHWBXSA-N 1 1 301.387 -1.402 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001442039173 928913084 /nfs/dbraw/zinc/91/30/84/928913084.db2.gz GVLVWVKROSHUFM-CMPLNLGQSA-N 1 1 301.387 -1.356 20 0 DAADMO CN(C[C@@H](O)CNCc1nnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442035296 928913340 /nfs/dbraw/zinc/91/33/40/928913340.db2.gz QYLCJQUINFNKPG-MNOVXSKESA-N 1 1 311.390 -1.929 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)Cn1cncn1 ZINC001442039667 928914370 /nfs/dbraw/zinc/91/43/70/928914370.db2.gz WYROLGNNIYCIOQ-SECBINFHSA-N 1 1 311.371 -1.261 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001442039189 928914715 /nfs/dbraw/zinc/91/47/15/928914715.db2.gz GVLVWVKROSHUFM-ZYHUDNBSSA-N 1 1 301.387 -1.356 20 0 DAADMO CN(C[C@@H](O)CNCc1nnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442035304 928914815 /nfs/dbraw/zinc/91/48/15/928914815.db2.gz QYLCJQUINFNKPG-QWRGUYRKSA-N 1 1 311.390 -1.929 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001442041177 928914996 /nfs/dbraw/zinc/91/49/96/928914996.db2.gz DUIKQESXUMMUJO-LBPRGKRZSA-N 1 1 311.386 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001442041177 928915005 /nfs/dbraw/zinc/91/50/05/928915005.db2.gz DUIKQESXUMMUJO-LBPRGKRZSA-N 1 1 311.386 -1.209 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001442047086 928915703 /nfs/dbraw/zinc/91/57/03/928915703.db2.gz LXRRAEIWTBPEDP-SECBINFHSA-N 1 1 318.403 -1.559 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442050451 928915858 /nfs/dbraw/zinc/91/58/58/928915858.db2.gz VQMAONYQECACIG-NEPJUHHUSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncccn1 ZINC001442048575 928917075 /nfs/dbraw/zinc/91/70/75/928917075.db2.gz MTGPNDAEXGKMIY-NXEZZACHSA-N 1 1 313.383 -1.237 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cncn1C ZINC001442052379 928917365 /nfs/dbraw/zinc/91/73/65/928917365.db2.gz YWXMIWAXIXNGCA-NSHDSACASA-N 1 1 322.373 -1.905 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001442050696 928917434 /nfs/dbraw/zinc/91/74/34/928917434.db2.gz QRGLDUWGABMBDF-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001442050696 928917445 /nfs/dbraw/zinc/91/74/45/928917445.db2.gz QRGLDUWGABMBDF-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CCC(=O)N1 ZINC001442048690 928917760 /nfs/dbraw/zinc/91/77/60/928917760.db2.gz GSHDRZOIMSBDBK-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001442048150 928917836 /nfs/dbraw/zinc/91/78/36/928917836.db2.gz HXPZQOJOTRFDQF-NKWVEPMBSA-N 1 1 310.301 -1.414 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001442050737 928918003 /nfs/dbraw/zinc/91/80/03/928918003.db2.gz QRGLDUWGABMBDF-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001442050737 928918012 /nfs/dbraw/zinc/91/80/12/928918012.db2.gz QRGLDUWGABMBDF-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)Cn1ncn(C)c1=O ZINC001442062894 928919404 /nfs/dbraw/zinc/91/94/04/928919404.db2.gz ALVODJXFMUCQFK-JTQLQIEISA-N 1 1 303.338 -1.698 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)Cn1ncn(C)c1=O ZINC001442062894 928919409 /nfs/dbraw/zinc/91/94/09/928919409.db2.gz ALVODJXFMUCQFK-JTQLQIEISA-N 1 1 303.338 -1.698 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001442060256 928919422 /nfs/dbraw/zinc/91/94/22/928919422.db2.gz YULWVXMNQHNSCJ-VHSXEESVSA-N 1 1 324.385 -1.313 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064923 928919499 /nfs/dbraw/zinc/91/94/99/928919499.db2.gz QERLRZJUJPEDGY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001442064923 928919510 /nfs/dbraw/zinc/91/95/10/928919510.db2.gz QERLRZJUJPEDGY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cncc2nc[nH]c21 ZINC001442058221 928920895 /nfs/dbraw/zinc/92/08/95/928920895.db2.gz OVVSIHUGCDWLQW-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cncc2nc[nH]c21 ZINC001442058221 928920905 /nfs/dbraw/zinc/92/09/05/928920905.db2.gz OVVSIHUGCDWLQW-SECBINFHSA-N 1 1 320.353 -1.192 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)F ZINC001442059652 928921125 /nfs/dbraw/zinc/92/11/25/928921125.db2.gz WFHMBPVAHZSUOK-VIFPVBQESA-N 1 1 320.365 -1.059 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)F ZINC001442059652 928921130 /nfs/dbraw/zinc/92/11/30/928921130.db2.gz WFHMBPVAHZSUOK-VIFPVBQESA-N 1 1 320.365 -1.059 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001442059650 928921141 /nfs/dbraw/zinc/92/11/41/928921141.db2.gz WFHMBPVAHZSUOK-SECBINFHSA-N 1 1 320.365 -1.059 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001442059650 928921149 /nfs/dbraw/zinc/92/11/49/928921149.db2.gz WFHMBPVAHZSUOK-SECBINFHSA-N 1 1 320.365 -1.059 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001442063490 928921348 /nfs/dbraw/zinc/92/13/48/928921348.db2.gz BNXRMQGXMXXOQP-RYUDHWBXSA-N 1 1 301.387 -1.402 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001442080471 928921966 /nfs/dbraw/zinc/92/19/66/928921966.db2.gz GLLLXXCTUIWFPW-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001442080471 928921975 /nfs/dbraw/zinc/92/19/75/928921975.db2.gz GLLLXXCTUIWFPW-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442080588 928922230 /nfs/dbraw/zinc/92/22/30/928922230.db2.gz KGUIDADWXNPWML-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442080588 928922239 /nfs/dbraw/zinc/92/22/39/928922239.db2.gz KGUIDADWXNPWML-HZMBPMFUSA-N 1 1 314.386 -1.861 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(F)F ZINC001442080050 928922286 /nfs/dbraw/zinc/92/22/86/928922286.db2.gz HUUBFOQOAUTYBA-QMMMGPOBSA-N 1 1 324.328 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC(C)(F)F ZINC001442080050 928922294 /nfs/dbraw/zinc/92/22/94/928922294.db2.gz HUUBFOQOAUTYBA-QMMMGPOBSA-N 1 1 324.328 -1.022 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCCC1=O ZINC001442069362 928922890 /nfs/dbraw/zinc/92/28/90/928922890.db2.gz NNFHORCRKRBDRS-LBPRGKRZSA-N 1 1 301.387 -1.258 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001442079134 928922973 /nfs/dbraw/zinc/92/29/73/928922973.db2.gz HGCQHEAPKSCAJA-AXFHLTTASA-N 1 1 314.386 -2.053 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001442079134 928922981 /nfs/dbraw/zinc/92/29/81/928922981.db2.gz HGCQHEAPKSCAJA-AXFHLTTASA-N 1 1 314.386 -2.053 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001442076684 928923055 /nfs/dbraw/zinc/92/30/55/928923055.db2.gz XBGIZBWSSZGSRN-VXGBXAGGSA-N 1 1 324.385 -1.692 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cn1 ZINC001442072930 928923410 /nfs/dbraw/zinc/92/34/10/928923410.db2.gz XZDREZXSUZYREZ-LLVKDONJSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cn1 ZINC001442072930 928923417 /nfs/dbraw/zinc/92/34/17/928923417.db2.gz XZDREZXSUZYREZ-LLVKDONJSA-N 1 1 310.354 -1.060 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2cccnc12 ZINC001442080445 928923461 /nfs/dbraw/zinc/92/34/61/928923461.db2.gz GBKLJBLFZSRUBE-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2cccnc12 ZINC001442080445 928923470 /nfs/dbraw/zinc/92/34/70/928923470.db2.gz GBKLJBLFZSRUBE-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001442080282 928923510 /nfs/dbraw/zinc/92/35/10/928923510.db2.gz JWCZPJREOUWZHR-VXGBXAGGSA-N 1 1 310.354 -1.143 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001442068092 928923592 /nfs/dbraw/zinc/92/35/92/928923592.db2.gz GSIKUITVQNXUDT-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001442068092 928923603 /nfs/dbraw/zinc/92/36/03/928923603.db2.gz GSIKUITVQNXUDT-NXEZZACHSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001442080275 928923896 /nfs/dbraw/zinc/92/38/96/928923896.db2.gz JWCZPJREOUWZHR-NWDGAFQWSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001442067813 928923935 /nfs/dbraw/zinc/92/39/35/928923935.db2.gz FPOFPPHWAXHIKH-QWRGUYRKSA-N 1 1 324.385 -1.590 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001442081458 928924356 /nfs/dbraw/zinc/92/43/56/928924356.db2.gz GMHZVLPBUVNLIJ-VHSXEESVSA-N 1 1 300.359 -1.129 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001442076680 928924512 /nfs/dbraw/zinc/92/45/12/928924512.db2.gz XBGIZBWSSZGSRN-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1cnc[nH]1 ZINC001442078954 928924843 /nfs/dbraw/zinc/92/48/43/928924843.db2.gz FBRQKNURSDQQPA-CYBMUJFWSA-N 1 1 323.397 -1.064 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1cnc[nH]1 ZINC001442078954 928924856 /nfs/dbraw/zinc/92/48/56/928924856.db2.gz FBRQKNURSDQQPA-CYBMUJFWSA-N 1 1 323.397 -1.064 20 0 DAADMO CCN1CC[C@H]([N@H+](C)C[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086977 928925348 /nfs/dbraw/zinc/92/53/48/928925348.db2.gz AYLYFXNYRAYEIH-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001442086977 928925350 /nfs/dbraw/zinc/92/53/50/928925350.db2.gz AYLYFXNYRAYEIH-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CCS(C)(=O)=O)C2)n1 ZINC001442089995 928925627 /nfs/dbraw/zinc/92/56/27/928925627.db2.gz FPVTWLKXFHWHJP-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO COc1c(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)cnn1C ZINC001442097643 928925937 /nfs/dbraw/zinc/92/59/37/928925937.db2.gz SSVSIQSUMIMMAS-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO COc1c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)cnn1C ZINC001442097643 928925946 /nfs/dbraw/zinc/92/59/46/928925946.db2.gz SSVSIQSUMIMMAS-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442088547 928926328 /nfs/dbraw/zinc/92/63/28/928926328.db2.gz DLSFLHPIOYNRAG-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442088547 928926341 /nfs/dbraw/zinc/92/63/41/928926341.db2.gz DLSFLHPIOYNRAG-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCc2nncn2C1 ZINC001442086863 928926367 /nfs/dbraw/zinc/92/63/67/928926367.db2.gz BHMQILHCDOXBOL-VXGBXAGGSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001442085715 928926511 /nfs/dbraw/zinc/92/65/11/928926511.db2.gz BCUCMODICUMFHV-VIFPVBQESA-N 1 1 308.342 -1.488 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001442085715 928926521 /nfs/dbraw/zinc/92/65/21/928926521.db2.gz BCUCMODICUMFHV-VIFPVBQESA-N 1 1 308.342 -1.488 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n1C ZINC001442083839 928926942 /nfs/dbraw/zinc/92/69/42/928926942.db2.gz ULPMBVWIPIHLSF-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001442090598 928927215 /nfs/dbraw/zinc/92/72/15/928927215.db2.gz WNACQIXCWGBLHW-OUAUKWLOSA-N 1 1 314.386 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001442090598 928927225 /nfs/dbraw/zinc/92/72/25/928927225.db2.gz WNACQIXCWGBLHW-OUAUKWLOSA-N 1 1 314.386 -1.151 20 0 DAADMO CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442096395 928927338 /nfs/dbraw/zinc/92/73/38/928927338.db2.gz OLXQJNTUQOCHNO-STQMWFEESA-N 1 1 314.430 -1.175 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442091057 928928883 /nfs/dbraw/zinc/92/88/83/928928883.db2.gz HPOHAWXLTFPWGT-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442091057 928928897 /nfs/dbraw/zinc/92/88/97/928928897.db2.gz HPOHAWXLTFPWGT-SNVBAGLBSA-N 1 1 312.374 -1.732 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001442099235 928929882 /nfs/dbraw/zinc/92/98/82/928929882.db2.gz USNQFEJKBHXULO-GHMZBOCLSA-N 1 1 312.370 -1.474 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001442100944 928929959 /nfs/dbraw/zinc/92/99/59/928929959.db2.gz XMEOSDSMYTUFQK-DGCLKSJQSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001442100944 928929970 /nfs/dbraw/zinc/92/99/70/928929970.db2.gz XMEOSDSMYTUFQK-DGCLKSJQSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098869 928930134 /nfs/dbraw/zinc/93/01/34/928930134.db2.gz UDDJTZVSOXFZGW-VHSXEESVSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098869 928930140 /nfs/dbraw/zinc/93/01/40/928930140.db2.gz UDDJTZVSOXFZGW-VHSXEESVSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098866 928931373 /nfs/dbraw/zinc/93/13/73/928931373.db2.gz UDDJTZVSOXFZGW-UWVGGRQHSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001442098866 928931388 /nfs/dbraw/zinc/93/13/88/928931388.db2.gz UDDJTZVSOXFZGW-UWVGGRQHSA-N 1 1 310.358 -1.600 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001442197308 928934735 /nfs/dbraw/zinc/93/47/35/928934735.db2.gz KGJBKTVCBGFEHQ-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001442217823 928935717 /nfs/dbraw/zinc/93/57/17/928935717.db2.gz RHSMVIJCVXSHDD-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001442193650 928935888 /nfs/dbraw/zinc/93/58/88/928935888.db2.gz GTMADWFKZCBDGI-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001442195622 928936175 /nfs/dbraw/zinc/93/61/75/928936175.db2.gz UXPFPJCZSYDQMT-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001442195622 928936190 /nfs/dbraw/zinc/93/61/90/928936190.db2.gz UXPFPJCZSYDQMT-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)C[C@@H]1CCNC(=O)CC1 ZINC001442351165 928939758 /nfs/dbraw/zinc/93/97/58/928939758.db2.gz KPHYMDZOJLUYLZ-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001442367941 928940082 /nfs/dbraw/zinc/94/00/82/928940082.db2.gz LTINZWMHCMFAHH-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC001442367941 928940087 /nfs/dbraw/zinc/94/00/87/928940087.db2.gz LTINZWMHCMFAHH-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001442367940 928940173 /nfs/dbraw/zinc/94/01/73/928940173.db2.gz LTINZWMHCMFAHH-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC001442367940 928940180 /nfs/dbraw/zinc/94/01/80/928940180.db2.gz LTINZWMHCMFAHH-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001442406263 928941534 /nfs/dbraw/zinc/94/15/34/928941534.db2.gz CENJVIYLWMJVGZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN1CCCS1(=O)=O ZINC001442406263 928941545 /nfs/dbraw/zinc/94/15/45/928941545.db2.gz CENJVIYLWMJVGZ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001442384546 928941589 /nfs/dbraw/zinc/94/15/89/928941589.db2.gz ZALJWCZUHBWPCB-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001442384546 928941598 /nfs/dbraw/zinc/94/15/98/928941598.db2.gz ZALJWCZUHBWPCB-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO COc1cc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)on1 ZINC001442387573 928941780 /nfs/dbraw/zinc/94/17/80/928941780.db2.gz YOVYSLMLLZMNEP-UHFFFAOYSA-N 1 1 320.371 -1.106 20 0 DAADMO COc1cc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)on1 ZINC001442387573 928941787 /nfs/dbraw/zinc/94/17/87/928941787.db2.gz YOVYSLMLLZMNEP-UHFFFAOYSA-N 1 1 320.371 -1.106 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn2ncccc12)CC(=O)NC(N)=O ZINC001442410156 928941806 /nfs/dbraw/zinc/94/18/06/928941806.db2.gz DHWYCIVHYLFCPM-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn2ncccc12)CC(=O)NC(N)=O ZINC001442410156 928941816 /nfs/dbraw/zinc/94/18/16/928941816.db2.gz DHWYCIVHYLFCPM-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@H](O)CN2CCCC2=O)nn1 ZINC001442389718 928941904 /nfs/dbraw/zinc/94/19/04/928941904.db2.gz SLVBSZFSRLIXIT-NSHDSACASA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001442386404 928942037 /nfs/dbraw/zinc/94/20/37/928942037.db2.gz IZOVBJNASJFRHY-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)nn1 ZINC001442386404 928942049 /nfs/dbraw/zinc/94/20/49/928942049.db2.gz IZOVBJNASJFRHY-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442384327 928942699 /nfs/dbraw/zinc/94/26/99/928942699.db2.gz VMGJVQMGXXOHCU-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001442384327 928942705 /nfs/dbraw/zinc/94/27/05/928942705.db2.gz VMGJVQMGXXOHCU-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1)S(C)(=O)=O ZINC001442391256 928942784 /nfs/dbraw/zinc/94/27/84/928942784.db2.gz WLIIFXJGOYRMQB-SECBINFHSA-N 1 1 322.387 -1.966 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1)S(C)(=O)=O ZINC001442391256 928942793 /nfs/dbraw/zinc/94/27/93/928942793.db2.gz WLIIFXJGOYRMQB-SECBINFHSA-N 1 1 322.387 -1.966 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001442378663 928942944 /nfs/dbraw/zinc/94/29/44/928942944.db2.gz LUYROVVLVRQSMU-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cc1cnn(C)c1 ZINC001442378663 928942954 /nfs/dbraw/zinc/94/29/54/928942954.db2.gz LUYROVVLVRQSMU-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001442406132 928943492 /nfs/dbraw/zinc/94/34/92/928943492.db2.gz AWECIFBKBZSESY-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001442406132 928943499 /nfs/dbraw/zinc/94/34/99/928943499.db2.gz AWECIFBKBZSESY-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001442410472 928943538 /nfs/dbraw/zinc/94/35/38/928943538.db2.gz MTTMLOMSVZPVFN-MRVPVSSYSA-N 1 1 316.362 -2.193 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001442410472 928943544 /nfs/dbraw/zinc/94/35/44/928943544.db2.gz MTTMLOMSVZPVFN-MRVPVSSYSA-N 1 1 316.362 -2.193 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001442413220 928945513 /nfs/dbraw/zinc/94/55/13/928945513.db2.gz QBHUCZXFXFSHQI-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001442413220 928945519 /nfs/dbraw/zinc/94/55/19/928945519.db2.gz QBHUCZXFXFSHQI-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442419140 928946003 /nfs/dbraw/zinc/94/60/03/928946003.db2.gz WDFCGOFEOHTCPT-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442419140 928946011 /nfs/dbraw/zinc/94/60/11/928946011.db2.gz WDFCGOFEOHTCPT-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001442509298 928950055 /nfs/dbraw/zinc/95/00/55/928950055.db2.gz AEVYJEYBEWICFL-ZDUSSCGKSA-N 1 1 313.358 -1.841 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001442509298 928950072 /nfs/dbraw/zinc/95/00/72/928950072.db2.gz AEVYJEYBEWICFL-ZDUSSCGKSA-N 1 1 313.358 -1.841 20 0 DAADMO Cc1ncoc1C[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001442489935 928950399 /nfs/dbraw/zinc/95/03/99/928950399.db2.gz QNIXSRUQCUVSSI-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO Cc1ncoc1C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC001442489935 928950410 /nfs/dbraw/zinc/95/04/10/928950410.db2.gz QNIXSRUQCUVSSI-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001442496383 928951171 /nfs/dbraw/zinc/95/11/71/928951171.db2.gz ZBUJKRQJZVBWQA-ZJUUUORDSA-N 1 1 320.357 -1.112 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001442492467 928951424 /nfs/dbraw/zinc/95/14/24/928951424.db2.gz XVIXHAWOXQIIHM-NSHDSACASA-N 1 1 322.431 -1.485 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001442536882 928952228 /nfs/dbraw/zinc/95/22/28/928952228.db2.gz NWVFBYKZIUTBEP-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001442536882 928952234 /nfs/dbraw/zinc/95/22/34/928952234.db2.gz NWVFBYKZIUTBEP-SECBINFHSA-N 1 1 323.419 -2.435 20 0 DAADMO C[N@H+](CCNC(=O)c1ccn2nnnc2c1)[C@H]1CCNC1=O ZINC001442554430 928952266 /nfs/dbraw/zinc/95/22/66/928952266.db2.gz BBTPHGHLOCTDEN-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccn2nnnc2c1)[C@H]1CCNC1=O ZINC001442554430 928952270 /nfs/dbraw/zinc/95/22/70/928952270.db2.gz BBTPHGHLOCTDEN-JTQLQIEISA-N 1 1 303.326 -1.326 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001442536894 928952385 /nfs/dbraw/zinc/95/23/85/928952385.db2.gz NWVFBYKZIUTBEP-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001442536894 928952391 /nfs/dbraw/zinc/95/23/91/928952391.db2.gz NWVFBYKZIUTBEP-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001442536228 928952433 /nfs/dbraw/zinc/95/24/33/928952433.db2.gz DMGWXITXKFTFOW-NSHDSACASA-N 1 1 322.369 -1.026 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001442568258 928952529 /nfs/dbraw/zinc/95/25/29/928952529.db2.gz VGPRWWARBPMAKP-RYUDHWBXSA-N 1 1 316.402 -1.025 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442586352 928953880 /nfs/dbraw/zinc/95/38/80/928953880.db2.gz BLNYUUAQSMDYGV-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442586352 928953891 /nfs/dbraw/zinc/95/38/91/928953891.db2.gz BLNYUUAQSMDYGV-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCCNC1=O ZINC001442542316 928954266 /nfs/dbraw/zinc/95/42/66/928954266.db2.gz UNTSWNUQRRWDJB-DTWKUNHWSA-N 1 1 311.342 -2.089 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCCNC1=O ZINC001442542316 928954270 /nfs/dbraw/zinc/95/42/70/928954270.db2.gz UNTSWNUQRRWDJB-DTWKUNHWSA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cc1cncn1C ZINC001442581507 928954335 /nfs/dbraw/zinc/95/43/35/928954335.db2.gz ZUDLVWHLZMLHSU-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cncn1C ZINC001442581507 928954349 /nfs/dbraw/zinc/95/43/49/928954349.db2.gz ZUDLVWHLZMLHSU-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001442541663 928954834 /nfs/dbraw/zinc/95/48/34/928954834.db2.gz PBMSGJOYCGZHPW-LBPRGKRZSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442599621 928955387 /nfs/dbraw/zinc/95/53/87/928955387.db2.gz ADZVKIZVPNHMDE-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442599621 928955396 /nfs/dbraw/zinc/95/53/96/928955396.db2.gz ADZVKIZVPNHMDE-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCN1CCO[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)COC)C1 ZINC001442602898 928955640 /nfs/dbraw/zinc/95/56/40/928955640.db2.gz ZGCCTFLBDAQLQK-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001442603001 928955777 /nfs/dbraw/zinc/95/57/77/928955777.db2.gz PIODQFRLNNJIFB-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001442603001 928955786 /nfs/dbraw/zinc/95/57/86/928955786.db2.gz PIODQFRLNNJIFB-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001442587929 928956854 /nfs/dbraw/zinc/95/68/54/928956854.db2.gz AOLVSDBVMWCNEQ-MRVPVSSYSA-N 1 1 308.342 -1.628 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nccnc1C(N)=O ZINC001442587929 928956859 /nfs/dbraw/zinc/95/68/59/928956859.db2.gz AOLVSDBVMWCNEQ-MRVPVSSYSA-N 1 1 308.342 -1.628 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001442616549 928956883 /nfs/dbraw/zinc/95/68/83/928956883.db2.gz PQGKTRJBQOZTDQ-UHFFFAOYSA-N 1 1 304.376 -2.125 20 0 DAADMO C[N@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@@H]1CCNC1=O ZINC001442606268 928957672 /nfs/dbraw/zinc/95/76/72/928957672.db2.gz GSKUJBANHGVMLI-SNVBAGLBSA-N 1 1 317.353 -1.397 20 0 DAADMO C[N@@H+](CCNC(=O)Cc1nc2ncccn2n1)[C@@H]1CCNC1=O ZINC001442606268 928957682 /nfs/dbraw/zinc/95/76/82/928957682.db2.gz GSKUJBANHGVMLI-SNVBAGLBSA-N 1 1 317.353 -1.397 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccn(C)n1)[C@@H](C)C(=O)NC(N)=O ZINC001442660930 928959381 /nfs/dbraw/zinc/95/93/81/928959381.db2.gz HMBNRWQGPLTMFU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccn(C)n1)[C@@H](C)C(=O)NC(N)=O ZINC001442660930 928959390 /nfs/dbraw/zinc/95/93/90/928959390.db2.gz HMBNRWQGPLTMFU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1=O)[C@H](C)C(N)=O ZINC001442671302 928960694 /nfs/dbraw/zinc/96/06/94/928960694.db2.gz GQFAJDHTPJZOJC-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1=O)[C@H](C)C(N)=O ZINC001442671302 928960708 /nfs/dbraw/zinc/96/07/08/928960708.db2.gz GQFAJDHTPJZOJC-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCN(C)C(=O)C1)[C@H](C)C(N)=O ZINC001442687735 928960757 /nfs/dbraw/zinc/96/07/57/928960757.db2.gz XMXUMRIUVKDBNU-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)[C@H](C)C(N)=O ZINC001442687735 928960766 /nfs/dbraw/zinc/96/07/66/928960766.db2.gz XMXUMRIUVKDBNU-LLVKDONJSA-N 1 1 313.402 -1.928 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCN(C)C(=O)C1)CC(=O)NC ZINC001442685302 928961128 /nfs/dbraw/zinc/96/11/28/928961128.db2.gz ROARPUBUXQEODC-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCN(C)C(=O)C1)CC(=O)NC ZINC001442685302 928961137 /nfs/dbraw/zinc/96/11/37/928961137.db2.gz ROARPUBUXQEODC-UHFFFAOYSA-N 1 1 313.402 -2.056 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001442682766 928961243 /nfs/dbraw/zinc/96/12/43/928961243.db2.gz UXLUNJODLAKZGC-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CC(=O)NC(N)=O ZINC001442682766 928961258 /nfs/dbraw/zinc/96/12/58/928961258.db2.gz UXLUNJODLAKZGC-SECBINFHSA-N 1 1 313.358 -1.712 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@@H](C)C(N)=O ZINC001442690786 928962085 /nfs/dbraw/zinc/96/20/85/928962085.db2.gz DUFRNYZTWFMDDH-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@@H](C)C(N)=O ZINC001442690786 928962091 /nfs/dbraw/zinc/96/20/91/928962091.db2.gz DUFRNYZTWFMDDH-JTQLQIEISA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC(N)=O ZINC001442702811 928962189 /nfs/dbraw/zinc/96/21/89/928962189.db2.gz PROIYQUEPJDLAJ-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC(N)=O ZINC001442702811 928962197 /nfs/dbraw/zinc/96/21/97/928962197.db2.gz PROIYQUEPJDLAJ-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442714865 928963455 /nfs/dbraw/zinc/96/34/55/928963455.db2.gz JWMRPZRPXNECBU-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442714865 928963466 /nfs/dbraw/zinc/96/34/66/928963466.db2.gz JWMRPZRPXNECBU-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442746871 928965523 /nfs/dbraw/zinc/96/55/23/928965523.db2.gz GTBBCHKEDYGNDQ-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442746306 928966180 /nfs/dbraw/zinc/96/61/80/928966180.db2.gz YYLUHGUQSYXVEW-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001442766863 928966275 /nfs/dbraw/zinc/96/62/75/928966275.db2.gz IINUQHDPABVUCG-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC[N@H+](CCNC(=O)CCc1cncn1C)CC(=O)NC(N)=O ZINC001442751119 928966417 /nfs/dbraw/zinc/96/64/17/928966417.db2.gz IOZKYLPUQZIFOQ-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@@H+](CCNC(=O)CCc1cncn1C)CC(=O)NC(N)=O ZINC001442751119 928966426 /nfs/dbraw/zinc/96/64/26/928966426.db2.gz IOZKYLPUQZIFOQ-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(C(N)=O)nc1)CC(=O)NC ZINC001442773387 928966638 /nfs/dbraw/zinc/96/66/38/928966638.db2.gz ZAQMTVROJZAELK-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(C(N)=O)nc1)CC(=O)NC ZINC001442773387 928966648 /nfs/dbraw/zinc/96/66/48/928966648.db2.gz ZAQMTVROJZAELK-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442795538 928967507 /nfs/dbraw/zinc/96/75/07/928967507.db2.gz BAAXVLXTOSLIJZ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001442795538 928967515 /nfs/dbraw/zinc/96/75/15/928967515.db2.gz BAAXVLXTOSLIJZ-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001442810082 928967575 /nfs/dbraw/zinc/96/75/75/928967575.db2.gz BNKKSXSCQWSDGC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001442810082 928967584 /nfs/dbraw/zinc/96/75/84/928967584.db2.gz BNKKSXSCQWSDGC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442795473 928968137 /nfs/dbraw/zinc/96/81/37/928968137.db2.gz BAAXVLXTOSLIJZ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001442795473 928968154 /nfs/dbraw/zinc/96/81/54/928968154.db2.gz BAAXVLXTOSLIJZ-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)c(=O)n1C ZINC001442813377 928968343 /nfs/dbraw/zinc/96/83/43/928968343.db2.gz PBICAHSQPMGQKM-JTQLQIEISA-N 1 1 310.358 -2.044 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)c(=O)n1C ZINC001442813377 928968353 /nfs/dbraw/zinc/96/83/53/928968353.db2.gz PBICAHSQPMGQKM-JTQLQIEISA-N 1 1 310.358 -2.044 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001442814322 928969184 /nfs/dbraw/zinc/96/91/84/928969184.db2.gz CCGUUXPPGNOPMO-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001442814322 928969191 /nfs/dbraw/zinc/96/91/91/928969191.db2.gz CCGUUXPPGNOPMO-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001442824352 928969339 /nfs/dbraw/zinc/96/93/39/928969339.db2.gz BOBADZSVRROGCW-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001442850760 928970763 /nfs/dbraw/zinc/97/07/63/928970763.db2.gz GXVFHHUOILJZPY-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001442854948 928970831 /nfs/dbraw/zinc/97/08/31/928970831.db2.gz KKTTYVUXKRFPIQ-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001442841441 928971824 /nfs/dbraw/zinc/97/18/24/928971824.db2.gz UWLPNAYPOMYEIC-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001442841441 928971839 /nfs/dbraw/zinc/97/18/39/928971839.db2.gz UWLPNAYPOMYEIC-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001442854173 928971993 /nfs/dbraw/zinc/97/19/93/928971993.db2.gz IGWPIUSDCOMLBZ-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cccn2)C1 ZINC001442839978 928972468 /nfs/dbraw/zinc/97/24/68/928972468.db2.gz QZYQQDTUHUCOBC-WDEREUQCSA-N 1 1 322.369 -1.095 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001442858221 928972675 /nfs/dbraw/zinc/97/26/75/928972675.db2.gz UMYZGDFSUNMDGZ-MNOVXSKESA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001442856448 928972810 /nfs/dbraw/zinc/97/28/10/928972810.db2.gz PVBPYNOLCWLCSR-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CNC(N)=O ZINC001442853956 928972885 /nfs/dbraw/zinc/97/28/85/928972885.db2.gz RRJWZQHQKBTJRQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1 ZINC001442885107 928973423 /nfs/dbraw/zinc/97/34/23/928973423.db2.gz NIKVGCSCQTYRGQ-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001442874225 928973962 /nfs/dbraw/zinc/97/39/62/928973962.db2.gz GJZFAPLUNFJJDD-VIFPVBQESA-N 1 1 321.403 -2.776 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001442859150 928974621 /nfs/dbraw/zinc/97/46/21/928974621.db2.gz XIQMSTACEAVIIF-MNOVXSKESA-N 1 1 314.386 -1.549 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCCO)C1)C(N)=O ZINC001442882296 928974954 /nfs/dbraw/zinc/97/49/54/928974954.db2.gz MQFKWZXIIUGDTB-NEPJUHHUSA-N 1 1 314.386 -1.813 20 0 DAADMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)NC(N)=O ZINC001442872667 928975634 /nfs/dbraw/zinc/97/56/34/928975634.db2.gz QZJHFKCNILLJOP-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001442873201 928975942 /nfs/dbraw/zinc/97/59/42/928975942.db2.gz SFXKRCUKUVYTNV-LBPRGKRZSA-N 1 1 321.385 -1.266 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001442897548 928978004 /nfs/dbraw/zinc/97/80/04/928978004.db2.gz XEUOGOXHAFDYSD-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001442893605 928978613 /nfs/dbraw/zinc/97/86/13/928978613.db2.gz XXBCSPVHNBVHCH-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001442970067 928979616 /nfs/dbraw/zinc/97/96/16/928979616.db2.gz FWCIEICGOFNTRH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CC(=O)N1CCC1 ZINC001442970067 928979625 /nfs/dbraw/zinc/97/96/25/928979625.db2.gz FWCIEICGOFNTRH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C[C@@H](C)O ZINC001442967491 928979975 /nfs/dbraw/zinc/97/99/75/928979975.db2.gz SKGSYHNWFDTQCG-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO CCC[N@@H+](CCNC(=O)CCn1cnnn1)[C@@H]1CCNC1=O ZINC001442961367 928980648 /nfs/dbraw/zinc/98/06/48/928980648.db2.gz KDKCYNXKUROWSV-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CCC[N@H+](CCNC(=O)CN1CCOCC1=O)CC(=O)NC ZINC001442939238 928981110 /nfs/dbraw/zinc/98/11/10/928981110.db2.gz GDCWHTYWZZOXBW-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCOCC1=O)CC(=O)NC ZINC001442939238 928981121 /nfs/dbraw/zinc/98/11/21/928981121.db2.gz GDCWHTYWZZOXBW-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001442980711 928982050 /nfs/dbraw/zinc/98/20/50/928982050.db2.gz FPUWDRQQKYDPHB-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001442980711 928982058 /nfs/dbraw/zinc/98/20/58/928982058.db2.gz FPUWDRQQKYDPHB-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001442973001 928983255 /nfs/dbraw/zinc/98/32/55/928983255.db2.gz IPNNOLJWINWLHN-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CC(N)=O ZINC001442973001 928983267 /nfs/dbraw/zinc/98/32/67/928983267.db2.gz IPNNOLJWINWLHN-VIFPVBQESA-N 1 1 306.388 -2.008 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001443032925 928986993 /nfs/dbraw/zinc/98/69/93/928986993.db2.gz PLYFTTBEUVKWAM-UHFFFAOYSA-N 1 1 309.374 -1.138 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001443032925 928986998 /nfs/dbraw/zinc/98/69/98/928986998.db2.gz PLYFTTBEUVKWAM-UHFFFAOYSA-N 1 1 309.374 -1.138 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)NCC1CC1 ZINC001443037526 928987482 /nfs/dbraw/zinc/98/74/82/928987482.db2.gz WKPYQAQZHJTXFU-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)NCC1CC1 ZINC001443037526 928987490 /nfs/dbraw/zinc/98/74/90/928987490.db2.gz WKPYQAQZHJTXFU-GFCCVEGCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001443027131 928987832 /nfs/dbraw/zinc/98/78/32/928987832.db2.gz CGXPEZNCHQIGAO-LLVKDONJSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)c1ccncn1)C1CC1 ZINC001443048233 928989109 /nfs/dbraw/zinc/98/91/09/928989109.db2.gz JILZFJHGYWVEDY-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)c1ccncn1)C1CC1 ZINC001443048233 928989118 /nfs/dbraw/zinc/98/91/18/928989118.db2.gz JILZFJHGYWVEDY-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@H]1CCc2nncn2C1)C1CC1 ZINC001443061307 928989596 /nfs/dbraw/zinc/98/95/96/928989596.db2.gz NAEAISLEPCEMLG-JTQLQIEISA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)C1CC1 ZINC001443061307 928989602 /nfs/dbraw/zinc/98/96/02/928989602.db2.gz NAEAISLEPCEMLG-JTQLQIEISA-N 1 1 306.370 -1.094 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)ccc1=O ZINC001443039695 928989699 /nfs/dbraw/zinc/98/96/99/928989699.db2.gz BLXULMBZROWNHW-GFCCVEGCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)ccc1=O ZINC001443039695 928989702 /nfs/dbraw/zinc/98/97/02/928989702.db2.gz BLXULMBZROWNHW-GFCCVEGCSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](CC(N)=O)C2CC2)c(=O)[nH]c1=O ZINC001443076321 928989999 /nfs/dbraw/zinc/98/99/99/928989999.db2.gz ZPMZFZXVXXNGOD-UHFFFAOYSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)c(=O)[nH]c1=O ZINC001443076321 928990009 /nfs/dbraw/zinc/99/00/09/928990009.db2.gz ZPMZFZXVXXNGOD-UHFFFAOYSA-N 1 1 309.326 -1.835 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001443065131 928990195 /nfs/dbraw/zinc/99/01/95/928990195.db2.gz YHZQIDKTACNCHX-KOLCDFICSA-N 1 1 305.400 -1.361 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC001443135746 928991225 /nfs/dbraw/zinc/99/12/25/928991225.db2.gz KEJRUZQSBJYWIA-LLVKDONJSA-N 1 1 307.354 -1.152 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001443204890 928993276 /nfs/dbraw/zinc/99/32/76/928993276.db2.gz VXWVCCAQAZYJEW-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001443187249 928994274 /nfs/dbraw/zinc/99/42/74/928994274.db2.gz WTAIOUIGULNVQS-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001443187249 928994284 /nfs/dbraw/zinc/99/42/84/928994284.db2.gz WTAIOUIGULNVQS-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001443204893 928994927 /nfs/dbraw/zinc/99/49/27/928994927.db2.gz VXWVCCAQAZYJEW-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443250050 928995390 /nfs/dbraw/zinc/99/53/90/928995390.db2.gz VGBQYLJEKATMIN-SECBINFHSA-N 1 1 321.403 -2.646 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001443234338 928996202 /nfs/dbraw/zinc/99/62/02/928996202.db2.gz LBSUXPPFHLGHCQ-SNVBAGLBSA-N 1 1 317.411 -1.265 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001443319976 928997995 /nfs/dbraw/zinc/99/79/95/928997995.db2.gz GKMAVKGMIFLTDX-LLVKDONJSA-N 1 1 324.385 -1.196 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001443310150 928998613 /nfs/dbraw/zinc/99/86/13/928998613.db2.gz LIQHOKBYWRMXOB-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001443316105 929000222 /nfs/dbraw/zinc/00/02/22/929000222.db2.gz AFQQLSHXKUVLTM-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001443344781 929000666 /nfs/dbraw/zinc/00/06/66/929000666.db2.gz UPCVYDHXISRMDB-GHMZBOCLSA-N 1 1 324.385 -1.462 20 0 DAADMO CCN1CCO[C@H](C(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC001443337948 929000933 /nfs/dbraw/zinc/00/09/33/929000933.db2.gz MVJCSMHMTVXXRA-OLZOCXBDSA-N 1 1 312.414 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001443357732 929001172 /nfs/dbraw/zinc/00/11/72/929001172.db2.gz YSCUSOSXNXJRKG-QWRGUYRKSA-N 1 1 309.374 -1.283 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1)C(N)=O ZINC001443354653 929001587 /nfs/dbraw/zinc/00/15/87/929001587.db2.gz VPKIZIDHIAMFNS-RYUDHWBXSA-N 1 1 314.386 -1.861 20 0 DAADMO C[N@H+](CC(N)=O)CC1CCN(C(=O)CCn2cnnn2)CC1 ZINC001443369360 929001861 /nfs/dbraw/zinc/00/18/61/929001861.db2.gz IKDSBOKYTMZRBB-UHFFFAOYSA-N 1 1 309.374 -1.281 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001443357722 929002097 /nfs/dbraw/zinc/00/20/97/929002097.db2.gz YSCUSOSXNXJRKG-GHMZBOCLSA-N 1 1 309.374 -1.283 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001443408045 929002486 /nfs/dbraw/zinc/00/24/86/929002486.db2.gz WWIOUIJIVYQWRY-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001443460457 929004692 /nfs/dbraw/zinc/00/46/92/929004692.db2.gz OMCSBRZXSBTIRG-SRVKXCTJSA-N 1 1 321.385 -1.222 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001443421659 929005467 /nfs/dbraw/zinc/00/54/67/929005467.db2.gz FYIXXPPPAXNTOD-LBPRGKRZSA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001443480214 929007058 /nfs/dbraw/zinc/00/70/58/929007058.db2.gz IHUWFZMRNGDTFB-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443538380 929012478 /nfs/dbraw/zinc/01/24/78/929012478.db2.gz CNBURPICKWNIHA-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001443557085 929013642 /nfs/dbraw/zinc/01/36/42/929013642.db2.gz MUUPZIPTARUTPN-GFCCVEGCSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(CN1CCCC1=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001443559022 929015115 /nfs/dbraw/zinc/01/51/15/929015115.db2.gz UYVYLYGXSQQRPG-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001443601743 929016506 /nfs/dbraw/zinc/01/65/06/929016506.db2.gz JBRMCYOAZUKTCP-SNVBAGLBSA-N 1 1 324.385 -1.894 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+](CCNC(=O)C3CC3)C2)NC1=O ZINC001443602444 929017281 /nfs/dbraw/zinc/01/72/81/929017281.db2.gz REHFBRDJWFMJEO-GFCCVEGCSA-N 1 1 323.397 -1.416 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001443628728 929018737 /nfs/dbraw/zinc/01/87/37/929018737.db2.gz MMMRFJCCDDOUQO-UHFFFAOYSA-N 1 1 306.370 -1.079 20 0 DAADMO CC(C)N(C)C(=O)C[NH+]1CC(CNC(=O)CCn2cnnn2)C1 ZINC001443627653 929019052 /nfs/dbraw/zinc/01/90/52/929019052.db2.gz KQLYSRMMYIWNSY-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCn2cnccc2=O)C1 ZINC001443624119 929019585 /nfs/dbraw/zinc/01/95/85/929019585.db2.gz QLXLONYQTQKARC-LBPRGKRZSA-N 1 1 321.381 -1.055 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001443698117 929022713 /nfs/dbraw/zinc/02/27/13/929022713.db2.gz NNCJTURNEADULR-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001443698117 929022723 /nfs/dbraw/zinc/02/27/23/929022723.db2.gz NNCJTURNEADULR-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001443711750 929023190 /nfs/dbraw/zinc/02/31/90/929023190.db2.gz FRUAYFONFJPLHG-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001443723515 929024116 /nfs/dbraw/zinc/02/41/16/929024116.db2.gz AUYWKYRWAKJOQG-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001443749849 929025563 /nfs/dbraw/zinc/02/55/63/929025563.db2.gz LHYXRUUCODFYHC-TUAOUCFPSA-N 1 1 324.385 -1.509 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744825 929025836 /nfs/dbraw/zinc/02/58/36/929025836.db2.gz VEAWNRRJMCXBRL-CMPLNLGQSA-N 1 1 313.402 -1.700 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001443744825 929025847 /nfs/dbraw/zinc/02/58/47/929025847.db2.gz VEAWNRRJMCXBRL-CMPLNLGQSA-N 1 1 313.402 -1.700 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001443749527 929026403 /nfs/dbraw/zinc/02/64/03/929026403.db2.gz QZYIXRVRZPPXDA-SNVBAGLBSA-N 1 1 300.359 -1.924 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001443749527 929026415 /nfs/dbraw/zinc/02/64/15/929026415.db2.gz QZYIXRVRZPPXDA-SNVBAGLBSA-N 1 1 300.359 -1.924 20 0 DAADMO COCC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443804137 929027227 /nfs/dbraw/zinc/02/72/27/929027227.db2.gz OHTPIMWTVGGORH-NSHDSACASA-N 1 1 324.381 -1.237 20 0 DAADMO COCC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001443804137 929027239 /nfs/dbraw/zinc/02/72/39/929027239.db2.gz OHTPIMWTVGGORH-NSHDSACASA-N 1 1 324.381 -1.237 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001443777796 929027268 /nfs/dbraw/zinc/02/72/68/929027268.db2.gz ZYNKHBKDQIINPE-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001443777796 929027280 /nfs/dbraw/zinc/02/72/80/929027280.db2.gz ZYNKHBKDQIINPE-GHMZBOCLSA-N 1 1 324.385 -1.214 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001443805127 929028773 /nfs/dbraw/zinc/02/87/73/929028773.db2.gz PGKKLJJPMYMNOB-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001443806630 929029072 /nfs/dbraw/zinc/02/90/72/929029072.db2.gz WDWJNVBOCPPJKY-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001443806646 929030106 /nfs/dbraw/zinc/03/01/06/929030106.db2.gz WDWJNVBOCPPJKY-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001443826935 929030344 /nfs/dbraw/zinc/03/03/44/929030344.db2.gz YZCDZHXDTABONE-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001443826935 929030356 /nfs/dbraw/zinc/03/03/56/929030356.db2.gz YZCDZHXDTABONE-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001443837074 929030828 /nfs/dbraw/zinc/03/08/28/929030828.db2.gz LTOICWHTUMWLIJ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001443837074 929030841 /nfs/dbraw/zinc/03/08/41/929030841.db2.gz LTOICWHTUMWLIJ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443808963 929030919 /nfs/dbraw/zinc/03/09/19/929030919.db2.gz LYKVXTFLHBKMAR-MRVPVSSYSA-N 1 1 315.330 -1.930 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443808963 929030932 /nfs/dbraw/zinc/03/09/32/929030932.db2.gz LYKVXTFLHBKMAR-MRVPVSSYSA-N 1 1 315.330 -1.930 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443826936 929030966 /nfs/dbraw/zinc/03/09/66/929030966.db2.gz YZCDZHXDTABONE-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001443826936 929030979 /nfs/dbraw/zinc/03/09/79/929030979.db2.gz YZCDZHXDTABONE-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808435 929031184 /nfs/dbraw/zinc/03/11/84/929031184.db2.gz DIMQQJFBVXHWDH-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001443808435 929031198 /nfs/dbraw/zinc/03/11/98/929031198.db2.gz DIMQQJFBVXHWDH-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001443819030 929031701 /nfs/dbraw/zinc/03/17/01/929031701.db2.gz UKYBQHRZINWCCD-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001443819030 929031714 /nfs/dbraw/zinc/03/17/14/929031714.db2.gz UKYBQHRZINWCCD-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cnn(C)n1 ZINC001443934951 929036013 /nfs/dbraw/zinc/03/60/13/929036013.db2.gz LEODINGHWHJQHQ-JTQLQIEISA-N 1 1 315.399 -1.156 20 0 DAADMO CC[C@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001443917186 929036863 /nfs/dbraw/zinc/03/68/63/929036863.db2.gz MIZGLUYKVCRHNI-RKDXNWHRSA-N 1 1 312.378 -1.359 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001443966663 929038816 /nfs/dbraw/zinc/03/88/16/929038816.db2.gz OQEUJOSCXRVWIZ-NSHDSACASA-N 1 1 323.401 -1.769 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001444013895 929039680 /nfs/dbraw/zinc/03/96/80/929039680.db2.gz ODMCKNNDUUTEPK-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001444056459 929043392 /nfs/dbraw/zinc/04/33/92/929043392.db2.gz AKOWZPAYXZKVLJ-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001444056473 929043844 /nfs/dbraw/zinc/04/38/44/929043844.db2.gz AKOWZPAYXZKVLJ-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444077966 929049938 /nfs/dbraw/zinc/04/99/38/929049938.db2.gz TWVZMVQSLHPGAF-NEPJUHHUSA-N 1 1 314.386 -1.942 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001444092945 929051281 /nfs/dbraw/zinc/05/12/81/929051281.db2.gz YSVCSLIGCLNAJM-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103918 929055204 /nfs/dbraw/zinc/05/52/04/929055204.db2.gz IWQLFFCACOSCHH-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cocn2)C1 ZINC001444103918 929055213 /nfs/dbraw/zinc/05/52/13/929055213.db2.gz IWQLFFCACOSCHH-ONGXEEELSA-N 1 1 312.326 -1.788 20 0 DAADMO CCC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001444105746 929056870 /nfs/dbraw/zinc/05/68/70/929056870.db2.gz LMGARNHVQMUXBH-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001444115047 929059824 /nfs/dbraw/zinc/05/98/24/929059824.db2.gz RFGNJBQPPXLGDR-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001444129606 929065952 /nfs/dbraw/zinc/06/59/52/929065952.db2.gz VTOHEPGRQSAMMC-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1nccnc1N ZINC001444134338 929067947 /nfs/dbraw/zinc/06/79/47/929067947.db2.gz YHUWPHGLRJUMJC-SNVBAGLBSA-N 1 1 324.385 -1.393 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1nccnc1N ZINC001444131055 929068362 /nfs/dbraw/zinc/06/83/62/929068362.db2.gz UOAVYNFLSQYSFO-VHSXEESVSA-N 1 1 322.369 -1.640 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnn(C)n2)CC1 ZINC001444175145 929075553 /nfs/dbraw/zinc/07/55/53/929075553.db2.gz UYIAUJWEELNFNO-MGCOHNPYSA-N 1 1 324.389 -1.344 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001444179027 929076937 /nfs/dbraw/zinc/07/69/37/929076937.db2.gz WBDVULGGCCELNL-UWVGGRQHSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1nccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444183784 929078343 /nfs/dbraw/zinc/07/83/43/929078343.db2.gz FEHVINCJMYGWPO-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444184759 929078635 /nfs/dbraw/zinc/07/86/35/929078635.db2.gz GIWDFOXJAYXPAD-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1nccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444183787 929079489 /nfs/dbraw/zinc/07/94/89/929079489.db2.gz FEHVINCJMYGWPO-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2c[nH]cn2)C1 ZINC001444181789 929079587 /nfs/dbraw/zinc/07/95/87/929079587.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181789 929079593 /nfs/dbraw/zinc/07/95/93/929079593.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCc2cnc[nH]2)C1 ZINC001444181789 929079604 /nfs/dbraw/zinc/07/96/04/929079604.db2.gz AELOJQZEOQCFHF-AAEUAGOBSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1ccnc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001444189510 929081884 /nfs/dbraw/zinc/08/18/84/929081884.db2.gz MZGXBLSKMJFIPD-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001444192384 929082520 /nfs/dbraw/zinc/08/25/20/929082520.db2.gz RRAWQZWVDZRNBA-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444189821 929083107 /nfs/dbraw/zinc/08/31/07/929083107.db2.gz UOGXVXCJOFBZBD-ADEWGFFLSA-N 1 1 314.386 -1.944 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001444225825 929088262 /nfs/dbraw/zinc/08/82/62/929088262.db2.gz ZJKDEGFOOFDBIE-HUBLWGQQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001444227289 929089017 /nfs/dbraw/zinc/08/90/17/929089017.db2.gz PVFMQADNICJUJE-NXEZZACHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NC(=O)Cn2cccn2)C1 ZINC001444250886 929094426 /nfs/dbraw/zinc/09/44/26/929094426.db2.gz WUUPYVFQVRPODU-OLZOCXBDSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001444266889 929097489 /nfs/dbraw/zinc/09/74/89/929097489.db2.gz MQJDRJNOBABICN-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001444266889 929097499 /nfs/dbraw/zinc/09/74/99/929097499.db2.gz MQJDRJNOBABICN-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001444266889 929097508 /nfs/dbraw/zinc/09/75/08/929097508.db2.gz MQJDRJNOBABICN-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001444266889 929097514 /nfs/dbraw/zinc/09/75/14/929097514.db2.gz MQJDRJNOBABICN-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001444266889 929097522 /nfs/dbraw/zinc/09/75/22/929097522.db2.gz MQJDRJNOBABICN-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001444266887 929097632 /nfs/dbraw/zinc/09/76/32/929097632.db2.gz MQJDRJNOBABICN-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001444266887 929097638 /nfs/dbraw/zinc/09/76/38/929097638.db2.gz MQJDRJNOBABICN-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001444266887 929097645 /nfs/dbraw/zinc/09/76/45/929097645.db2.gz MQJDRJNOBABICN-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001444266887 929097654 /nfs/dbraw/zinc/09/76/54/929097654.db2.gz MQJDRJNOBABICN-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001444266887 929097665 /nfs/dbraw/zinc/09/76/65/929097665.db2.gz MQJDRJNOBABICN-KXUCPTDWSA-N 1 1 310.358 -1.648 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@@H](CO)CNC(=O)c2ncn[nH]2)CC1 ZINC001444273555 929100260 /nfs/dbraw/zinc/10/02/60/929100260.db2.gz YBUQSTJGNLEPMV-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO C[NH+]1CCC(CC(=O)N[C@@H](CO)CNC(=O)c2nc[nH]n2)CC1 ZINC001444273555 929100268 /nfs/dbraw/zinc/10/02/68/929100268.db2.gz YBUQSTJGNLEPMV-LLVKDONJSA-N 1 1 324.385 -1.257 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@@]12CC[N@@H+](C1)CCC2)c1cnon1 ZINC001444282340 929102307 /nfs/dbraw/zinc/10/23/07/929102307.db2.gz VZXBICQEEHBZJW-HZMBPMFUSA-N 1 1 323.353 -1.238 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccncn1 ZINC001444280839 929102592 /nfs/dbraw/zinc/10/25/92/929102592.db2.gz RFSDKBVWOMHWNR-ZYHUDNBSSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cncn1 ZINC001444287150 929103977 /nfs/dbraw/zinc/10/39/77/929103977.db2.gz SKCUJJSSNLRPFK-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cncn1 ZINC001444287156 929104055 /nfs/dbraw/zinc/10/40/55/929104055.db2.gz SKCUJJSSNLRPFK-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444288691 929104181 /nfs/dbraw/zinc/10/41/81/929104181.db2.gz KTCXCVOYJWMCQQ-GHMZBOCLSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444288691 929104188 /nfs/dbraw/zinc/10/41/88/929104188.db2.gz KTCXCVOYJWMCQQ-GHMZBOCLSA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001444288692 929104305 /nfs/dbraw/zinc/10/43/05/929104305.db2.gz KTCXCVOYJWMCQQ-MNOVXSKESA-N 1 1 311.390 -1.617 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001444288692 929104309 /nfs/dbraw/zinc/10/43/09/929104309.db2.gz KTCXCVOYJWMCQQ-MNOVXSKESA-N 1 1 311.390 -1.617 20 0 DAADMO COCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001444300090 929105844 /nfs/dbraw/zinc/10/58/44/929105844.db2.gz NPLKGDGGBPLRJH-VXGBXAGGSA-N 1 1 324.381 -1.006 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1nnn(C)n1 ZINC001444293801 929106663 /nfs/dbraw/zinc/10/66/63/929106663.db2.gz XPQFBGZJHNUQGI-QMMMGPOBSA-N 1 1 306.330 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001444342926 929113590 /nfs/dbraw/zinc/11/35/90/929113590.db2.gz RLIZFJSLLGTRRB-MNOVXSKESA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001444330627 929114095 /nfs/dbraw/zinc/11/40/95/929114095.db2.gz YJLQDWVBNBLIED-SCZZXKLOSA-N 1 1 313.333 -1.150 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2cncn2)C1 ZINC001444342140 929114276 /nfs/dbraw/zinc/11/42/76/929114276.db2.gz HGJFJMHTDRUBMV-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C[NH2+]Cc1nnn(C)n1 ZINC001444349133 929115611 /nfs/dbraw/zinc/11/56/11/929115611.db2.gz LZSHTEAEYXOJCS-IUCAKERBSA-N 1 1 310.362 -1.924 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](CC2CCOCC2)CCO1 ZINC001444456504 929123667 /nfs/dbraw/zinc/12/36/67/929123667.db2.gz MISIDHFTAXKZNG-ZDUSSCGKSA-N 1 1 324.385 -1.083 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444444083 929124340 /nfs/dbraw/zinc/12/43/40/929124340.db2.gz IPFKVIHNFXHZLQ-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444444083 929124347 /nfs/dbraw/zinc/12/43/47/929124347.db2.gz IPFKVIHNFXHZLQ-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@H+](C(C)C)CCO1)C(N)=O ZINC001444444279 929124535 /nfs/dbraw/zinc/12/45/35/929124535.db2.gz ITNUNUIYCHETOS-RYUDHWBXSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001444444279 929124542 /nfs/dbraw/zinc/12/45/42/929124542.db2.gz ITNUNUIYCHETOS-RYUDHWBXSA-N 1 1 314.386 -1.408 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1cc[nH]n1 ZINC001444632364 929136633 /nfs/dbraw/zinc/13/66/33/929136633.db2.gz WZXYAPCAWZXHPL-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632364 929136639 /nfs/dbraw/zinc/13/66/39/929136639.db2.gz WZXYAPCAWZXHPL-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccn[nH]1 ZINC001444632364 929136642 /nfs/dbraw/zinc/13/66/42/929136642.db2.gz WZXYAPCAWZXHPL-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)CNC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444633006 929137169 /nfs/dbraw/zinc/13/71/69/929137169.db2.gz ZPTNTARGNIVCAS-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)C[C@H]1CCNC1=O ZINC001444638603 929138149 /nfs/dbraw/zinc/13/81/49/929138149.db2.gz UAUFOMNHEJNBQU-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444655465 929140007 /nfs/dbraw/zinc/14/00/07/929140007.db2.gz RBYDVWPGLYQGBE-UWVGGRQHSA-N 1 1 311.342 -1.430 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001444655037 929140378 /nfs/dbraw/zinc/14/03/78/929140378.db2.gz OGELNOIUJJIZLZ-MRVPVSSYSA-N 1 1 308.346 -1.101 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444655613 929141017 /nfs/dbraw/zinc/14/10/17/929141017.db2.gz RRURMIQCNVGSGC-DGCLKSJQSA-N 1 1 323.397 -1.079 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001444675826 929143905 /nfs/dbraw/zinc/14/39/05/929143905.db2.gz PMTMYILANLPWSZ-ZJUUUORDSA-N 1 1 324.389 -1.299 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001444675812 929144635 /nfs/dbraw/zinc/14/46/35/929144635.db2.gz PMTMYILANLPWSZ-UWVGGRQHSA-N 1 1 324.389 -1.299 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001444675808 929144964 /nfs/dbraw/zinc/14/49/64/929144964.db2.gz PMTMYILANLPWSZ-NXEZZACHSA-N 1 1 324.389 -1.299 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444700088 929146265 /nfs/dbraw/zinc/14/62/65/929146265.db2.gz BMRLDCLROJBVKS-SNVBAGLBSA-N 1 1 321.341 -1.441 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444702847 929146311 /nfs/dbraw/zinc/14/63/11/929146311.db2.gz VGZGUWUYLLNIDB-QWRGUYRKSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444702847 929146318 /nfs/dbraw/zinc/14/63/18/929146318.db2.gz VGZGUWUYLLNIDB-QWRGUYRKSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444702847 929146323 /nfs/dbraw/zinc/14/63/23/929146323.db2.gz VGZGUWUYLLNIDB-QWRGUYRKSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444702840 929146710 /nfs/dbraw/zinc/14/67/10/929146710.db2.gz VGZGUWUYLLNIDB-GHMZBOCLSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444702840 929146713 /nfs/dbraw/zinc/14/67/13/929146713.db2.gz VGZGUWUYLLNIDB-GHMZBOCLSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444702840 929146718 /nfs/dbraw/zinc/14/67/18/929146718.db2.gz VGZGUWUYLLNIDB-GHMZBOCLSA-N 1 1 324.385 -1.386 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444706980 929146800 /nfs/dbraw/zinc/14/68/00/929146800.db2.gz NFPXPBUUWQOQEP-JTQLQIEISA-N 1 1 321.341 -1.441 20 0 DAADMO CC(C)[C@@H](CNC(=O)CCNC(N)=O)[NH2+]Cc1nnnn1C ZINC001444940001 929156889 /nfs/dbraw/zinc/15/68/89/929156889.db2.gz RPKVCQMJMFWUGY-SECBINFHSA-N 1 1 312.378 -1.501 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001444947426 929157395 /nfs/dbraw/zinc/15/73/95/929157395.db2.gz FDXGFYYNBRIPFO-UHFFFAOYSA-N 1 1 303.319 -2.073 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001444947426 929157397 /nfs/dbraw/zinc/15/73/97/929157397.db2.gz FDXGFYYNBRIPFO-UHFFFAOYSA-N 1 1 303.319 -2.073 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001444980809 929159029 /nfs/dbraw/zinc/15/90/29/929159029.db2.gz VIBBTYJQJZGKEL-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001444980809 929159032 /nfs/dbraw/zinc/15/90/32/929159032.db2.gz VIBBTYJQJZGKEL-UWVGGRQHSA-N 1 1 301.391 -1.042 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001445013184 929160166 /nfs/dbraw/zinc/16/01/66/929160166.db2.gz IWORAOPVCVYPIV-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001445013184 929160174 /nfs/dbraw/zinc/16/01/74/929160174.db2.gz IWORAOPVCVYPIV-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO Cc1nnc(CC(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)[nH]1 ZINC001444975647 929160238 /nfs/dbraw/zinc/16/02/38/929160238.db2.gz UTGXRKXHAQECLG-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO Cc1nnc(CC(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)[nH]1 ZINC001444975647 929160246 /nfs/dbraw/zinc/16/02/46/929160246.db2.gz UTGXRKXHAQECLG-UHFFFAOYSA-N 1 1 311.346 -1.759 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001444979922 929160460 /nfs/dbraw/zinc/16/04/60/929160460.db2.gz OTHIQSNGLAHMFA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001444979922 929160469 /nfs/dbraw/zinc/16/04/69/929160469.db2.gz OTHIQSNGLAHMFA-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001444981301 929160485 /nfs/dbraw/zinc/16/04/85/929160485.db2.gz VQZDDNVYRXJETJ-MRVPVSSYSA-N 1 1 315.330 -2.059 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001444981301 929160493 /nfs/dbraw/zinc/16/04/93/929160493.db2.gz VQZDDNVYRXJETJ-MRVPVSSYSA-N 1 1 315.330 -2.059 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445088759 929162128 /nfs/dbraw/zinc/16/21/28/929162128.db2.gz HAKXRAABUAJKTQ-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445088759 929162133 /nfs/dbraw/zinc/16/21/33/929162133.db2.gz HAKXRAABUAJKTQ-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1)c1nncn1C ZINC001445131467 929165304 /nfs/dbraw/zinc/16/53/04/929165304.db2.gz IUCKFBYTBKGNAA-MWLCHTKSSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)s1 ZINC001445137437 929166103 /nfs/dbraw/zinc/16/61/03/929166103.db2.gz QEAVQYRKCUBNAA-QMMMGPOBSA-N 1 1 311.371 -1.144 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)no1 ZINC001445140282 929166244 /nfs/dbraw/zinc/16/62/44/929166244.db2.gz VTTCUSDTQGGRGO-SNVBAGLBSA-N 1 1 305.356 -1.406 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001445139533 929166647 /nfs/dbraw/zinc/16/66/47/929166647.db2.gz UPUFYDFJFDTHKT-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001445132904 929166735 /nfs/dbraw/zinc/16/67/35/929166735.db2.gz LQGFIRPMIMKUOA-JTQLQIEISA-N 1 1 310.358 -1.698 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O)nn1 ZINC001445137876 929166888 /nfs/dbraw/zinc/16/68/88/929166888.db2.gz JGFZOIBUMXHPNI-SKDRFNHKSA-N 1 1 312.374 -1.611 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cnnn1)c1ncccn1 ZINC001445141339 929167617 /nfs/dbraw/zinc/16/76/17/929167617.db2.gz ZTROEPNQGCRZSE-VHSXEESVSA-N 1 1 306.330 -1.709 20 0 DAADMO CC(C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001445147381 929168961 /nfs/dbraw/zinc/16/89/61/929168961.db2.gz CRFFGNWNMHMVHY-JTQLQIEISA-N 1 1 312.374 -1.264 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@](C)(O)C2CC2)nn1 ZINC001445151632 929169716 /nfs/dbraw/zinc/16/97/16/929169716.db2.gz IROCZXDHVVSCFS-TZMCWYRMSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001445153062 929170823 /nfs/dbraw/zinc/17/08/23/929170823.db2.gz KFXFMNCDJJOTLJ-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO CCc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001445155088 929171130 /nfs/dbraw/zinc/17/11/30/929171130.db2.gz UECFBHMJDJAZEO-MRVPVSSYSA-N 1 1 309.330 -1.359 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)n1cccn1 ZINC001445156428 929171498 /nfs/dbraw/zinc/17/14/98/929171498.db2.gz LBZQKBZWGWJXLJ-ZJUUUORDSA-N 1 1 308.346 -1.766 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)n1cccn1 ZINC001445156424 929171967 /nfs/dbraw/zinc/17/19/67/929171967.db2.gz LBZQKBZWGWJXLJ-VHSXEESVSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001445154073 929172115 /nfs/dbraw/zinc/17/21/15/929172115.db2.gz IIZOFVPPSHYCRK-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001445154073 929172120 /nfs/dbraw/zinc/17/21/20/929172120.db2.gz IIZOFVPPSHYCRK-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cccc(=O)[nH]2)n1 ZINC001445154226 929172277 /nfs/dbraw/zinc/17/22/77/929172277.db2.gz ITHHJKLRFVUSJD-SNVBAGLBSA-N 1 1 306.326 -1.204 20 0 DAADMO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001445158629 929172293 /nfs/dbraw/zinc/17/22/93/929172293.db2.gz OSYBEUYSAAYJNO-OLZOCXBDSA-N 1 1 312.414 -1.232 20 0 DAADMO CCc1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001445155094 929172306 /nfs/dbraw/zinc/17/23/06/929172306.db2.gz UECFBHMJDJAZEO-QMMMGPOBSA-N 1 1 309.330 -1.359 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)cnn1 ZINC001445160103 929172923 /nfs/dbraw/zinc/17/29/23/929172923.db2.gz QYTJYKQWVCXZEJ-GXSJLCMTSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)cnn1 ZINC001445160111 929173413 /nfs/dbraw/zinc/17/34/13/929173413.db2.gz QYTJYKQWVCXZEJ-KOLCDFICSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)cnn1 ZINC001445160117 929174008 /nfs/dbraw/zinc/17/40/08/929174008.db2.gz QYTJYKQWVCXZEJ-MWLCHTKSSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)[nH]1 ZINC001445159422 929174495 /nfs/dbraw/zinc/17/44/95/929174495.db2.gz UESNBFZDMLNEEL-LLVKDONJSA-N 1 1 312.374 -1.988 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001445161061 929174553 /nfs/dbraw/zinc/17/45/53/929174553.db2.gz TYMXLZUAMNCCQR-GHMZBOCLSA-N 1 1 312.374 -1.407 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001445174816 929175403 /nfs/dbraw/zinc/17/54/03/929175403.db2.gz DDWPOHUDXUAKSW-UWVGGRQHSA-N 1 1 310.358 -2.047 20 0 DAADMO Cc1cc(OCC(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)no1 ZINC001445178750 929176006 /nfs/dbraw/zinc/17/60/06/929176006.db2.gz AVRLOTHXXMLABC-SNVBAGLBSA-N 1 1 324.341 -1.243 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)o1 ZINC001445175733 929176066 /nfs/dbraw/zinc/17/60/66/929176066.db2.gz BOZPPCNENWZWPK-SECBINFHSA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)[nH]1 ZINC001445179963 929177638 /nfs/dbraw/zinc/17/76/38/929177638.db2.gz CMAGOSNNYVGHNF-WDEREUQCSA-N 1 1 324.385 -1.404 20 0 DAADMO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001445185553 929177992 /nfs/dbraw/zinc/17/79/92/929177992.db2.gz KGROWGZQZSLNIM-GMTAPVOTSA-N 1 1 309.370 -1.284 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001445182753 929178057 /nfs/dbraw/zinc/17/80/57/929178057.db2.gz ISGMWAQCMSAKKW-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCN(C)C2=O)n1 ZINC001445183672 929178570 /nfs/dbraw/zinc/17/85/70/929178570.db2.gz IYBXLVSNZDBKMN-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001445182149 929178807 /nfs/dbraw/zinc/17/88/07/929178807.db2.gz FFHLMJXXVWIFKP-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001445179176 929178880 /nfs/dbraw/zinc/17/88/80/929178880.db2.gz CHYTVRGUIBZWNI-QMMMGPOBSA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)[nH]1 ZINC001445179960 929178940 /nfs/dbraw/zinc/17/89/40/929178940.db2.gz CMAGOSNNYVGHNF-QWRGUYRKSA-N 1 1 324.385 -1.404 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2CC)n1 ZINC001445189585 929179721 /nfs/dbraw/zinc/17/97/21/929179721.db2.gz NWRHQAADAKFGQK-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cncn1C ZINC001445189516 929180074 /nfs/dbraw/zinc/18/00/74/929180074.db2.gz AFXUMVLNPIHASB-SNVBAGLBSA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001445187412 929180347 /nfs/dbraw/zinc/18/03/47/929180347.db2.gz BZDPTWFBEQXJDW-VXGBXAGGSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)nn1 ZINC001445186536 929180439 /nfs/dbraw/zinc/18/04/39/929180439.db2.gz IVTVGDNOWZHGNK-JTQLQIEISA-N 1 1 321.341 -2.211 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nn1 ZINC001445187988 929180656 /nfs/dbraw/zinc/18/06/56/929180656.db2.gz OOSBGCJXEXOYMA-WDEREUQCSA-N 1 1 310.358 -1.950 20 0 DAADMO NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001445188421 929181409 /nfs/dbraw/zinc/18/14/09/929181409.db2.gz UDNPWSTVUDHOIB-VIFPVBQESA-N 1 1 309.370 -1.617 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)C(=O)C1CC1 ZINC001445198044 929182373 /nfs/dbraw/zinc/18/23/73/929182373.db2.gz KHIJMFMHTQRIIT-LLVKDONJSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1c(CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)cnn1C ZINC001445198469 929182797 /nfs/dbraw/zinc/18/27/97/929182797.db2.gz KYPAFXMBKVPMEI-GFCCVEGCSA-N 1 1 308.342 -1.079 20 0 DAADMO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C1CC1 ZINC001445198055 929182826 /nfs/dbraw/zinc/18/28/26/929182826.db2.gz KHIJMFMHTQRIIT-NSHDSACASA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001445199069 929183567 /nfs/dbraw/zinc/18/35/67/929183567.db2.gz LHSAABCVOVMFAJ-SNVBAGLBSA-N 1 1 315.349 -1.100 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001445205216 929184286 /nfs/dbraw/zinc/18/42/86/929184286.db2.gz YSOGXXOCWIRBAX-WDEREUQCSA-N 1 1 307.354 -1.431 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C1(F)CCOCC1 ZINC001445204408 929184487 /nfs/dbraw/zinc/18/44/87/929184487.db2.gz OODBCORPTHHUHB-VIFPVBQESA-N 1 1 316.337 -1.705 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001445200840 929185175 /nfs/dbraw/zinc/18/51/75/929185175.db2.gz WCVPBURQLKZOHK-IONNQARKSA-N 1 1 308.346 -1.317 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cnco1 ZINC001445208685 929186440 /nfs/dbraw/zinc/18/64/40/929186440.db2.gz SLWZPSMKFIEDLQ-VIFPVBQESA-N 1 1 307.314 -1.124 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001445210613 929187327 /nfs/dbraw/zinc/18/73/27/929187327.db2.gz URZPWTOGMIJBHI-NXEZZACHSA-N 1 1 312.374 -1.354 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)nc1 ZINC001445207564 929187342 /nfs/dbraw/zinc/18/73/42/929187342.db2.gz IJBXXWRJPRMQTD-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1)C(=O)C1CC1 ZINC001445209005 929187985 /nfs/dbraw/zinc/18/79/85/929187985.db2.gz SDFMSESPERSPDY-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O)s1 ZINC001445218969 929188550 /nfs/dbraw/zinc/18/85/50/929188550.db2.gz FHKBXSBJMRNQLI-IONNQARKSA-N 1 1 315.399 -1.075 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn3c2CCC3)nn1 ZINC001445215505 929190021 /nfs/dbraw/zinc/19/00/21/929190021.db2.gz YFPQCJCVNUEPEM-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001445213118 929190265 /nfs/dbraw/zinc/19/02/65/929190265.db2.gz RMMAVJPXQQXKTC-KOLCDFICSA-N 1 1 310.358 -2.092 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nccs2)NC1=O ZINC001445221905 929191787 /nfs/dbraw/zinc/19/17/87/929191787.db2.gz IRVIEQWZLKOABE-IUCAKERBSA-N 1 1 313.383 -1.267 20 0 DAADMO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001445227564 929193526 /nfs/dbraw/zinc/19/35/26/929193526.db2.gz UXVJAIKJRULPDQ-SNVBAGLBSA-N 1 1 323.357 -1.382 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)n1 ZINC001445226674 929193549 /nfs/dbraw/zinc/19/35/49/929193549.db2.gz JGDPTGYHMWZHPH-WDEREUQCSA-N 1 1 310.358 -1.997 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)ccn1C ZINC001445228900 929193683 /nfs/dbraw/zinc/19/36/83/929193683.db2.gz BOULOGWEPWYEHA-JTQLQIEISA-N 1 1 307.358 -1.262 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001445230494 929193830 /nfs/dbraw/zinc/19/38/30/929193830.db2.gz WLRZJYVCVGXXFJ-JTQLQIEISA-N 1 1 323.357 -1.562 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1)c1nncn1C ZINC001445226612 929194083 /nfs/dbraw/zinc/19/40/83/929194083.db2.gz BRMJXKCLKDAHSF-BDAKNGLRSA-N 1 1 321.341 -1.660 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1)c1nncn1C ZINC001445226615 929194207 /nfs/dbraw/zinc/19/42/07/929194207.db2.gz BRMJXKCLKDAHSF-DTWKUNHWSA-N 1 1 321.341 -1.660 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)n2C)n1 ZINC001445231778 929194680 /nfs/dbraw/zinc/19/46/80/929194680.db2.gz ZBVCJEDZZRXNDM-SECBINFHSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001445241738 929195858 /nfs/dbraw/zinc/19/58/58/929195858.db2.gz UAPLXUKUSDXCDN-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]1 ZINC001445237523 929195891 /nfs/dbraw/zinc/19/58/91/929195891.db2.gz CFOJHZRJOJPQON-WCBMZHEXSA-N 1 1 322.373 -1.008 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001445241729 929195996 /nfs/dbraw/zinc/19/59/96/929195996.db2.gz UAPLXUKUSDXCDN-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(F)CCOC2)nn1 ZINC001445234248 929196781 /nfs/dbraw/zinc/19/67/81/929196781.db2.gz PGRWVQYAOARBGI-AAEUAGOBSA-N 1 1 315.349 -1.007 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001445241701 929196944 /nfs/dbraw/zinc/19/69/44/929196944.db2.gz UAGPMNVTXBXNCU-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1)c1nnnn1C ZINC001445236190 929197328 /nfs/dbraw/zinc/19/73/28/929197328.db2.gz HLDNISCMMIYOFQ-GXSJLCMTSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445248865 929199220 /nfs/dbraw/zinc/19/92/20/929199220.db2.gz INMFKLJIAMGGPD-LBPRGKRZSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001445246287 929199406 /nfs/dbraw/zinc/19/94/06/929199406.db2.gz OFCTYMBMGFBTPZ-VWYCJHECSA-N 1 1 324.385 -1.717 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)c2cnon2)n1 ZINC001445251361 929202549 /nfs/dbraw/zinc/20/25/49/929202549.db2.gz KDSPFVGZBLRRJD-SECBINFHSA-N 1 1 309.330 -1.130 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001445263507 929203345 /nfs/dbraw/zinc/20/33/45/929203345.db2.gz GFTOQPFZPCBLBE-VIFPVBQESA-N 1 1 319.387 -2.184 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n(C)c1=O ZINC001445263930 929203484 /nfs/dbraw/zinc/20/34/84/929203484.db2.gz GLZMTQTYLBLKRW-VIFPVBQESA-N 1 1 323.357 -2.267 20 0 DAADMO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001445261750 929204190 /nfs/dbraw/zinc/20/41/90/929204190.db2.gz VTRGITZMCINFPS-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnon1)C(C)C ZINC001445258051 929205045 /nfs/dbraw/zinc/20/50/45/929205045.db2.gz GNPDQNUUVNMQKK-VXGBXAGGSA-N 1 1 313.358 -1.203 20 0 DAADMO C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)n1ccnc1 ZINC001445258246 929205204 /nfs/dbraw/zinc/20/52/04/929205204.db2.gz QNKZULOHPLBBHT-GHMZBOCLSA-N 1 1 322.373 -1.375 20 0 DAADMO Cn1ncnc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445267522 929206820 /nfs/dbraw/zinc/20/68/20/929206820.db2.gz ANRRGWNRCZJQGY-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001445268726 929207661 /nfs/dbraw/zinc/20/76/61/929207661.db2.gz KDZFIGKDWQRVND-VHSXEESVSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268726 929207669 /nfs/dbraw/zinc/20/76/69/929207669.db2.gz KDZFIGKDWQRVND-VHSXEESVSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001445268732 929208016 /nfs/dbraw/zinc/20/80/16/929208016.db2.gz KDZFIGKDWQRVND-ZJUUUORDSA-N 1 1 312.374 -2.373 20 0 DAADMO Cn1[nH]c(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001445268732 929208024 /nfs/dbraw/zinc/20/80/24/929208024.db2.gz KDZFIGKDWQRVND-ZJUUUORDSA-N 1 1 312.374 -2.373 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)nn1 ZINC001445273438 929209646 /nfs/dbraw/zinc/20/96/46/929209646.db2.gz PXOIVCQDJWCOIQ-LBPRGKRZSA-N 1 1 322.373 -1.283 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)[C@@H]1CCS(=O)(=O)N1 ZINC001445282434 929212179 /nfs/dbraw/zinc/21/21/79/929212179.db2.gz ZPGRFZMRINIUMO-UWVGGRQHSA-N 1 1 318.355 -2.067 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001445278962 929213051 /nfs/dbraw/zinc/21/30/51/929213051.db2.gz XNLXTUGETSJUSO-VHSXEESVSA-N 1 1 315.374 -2.268 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001445282594 929213196 /nfs/dbraw/zinc/21/31/96/929213196.db2.gz XALFHFUBQORXEG-GFCCVEGCSA-N 1 1 322.373 -1.857 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2ccccc21 ZINC001445282210 929213521 /nfs/dbraw/zinc/21/35/21/929213521.db2.gz RNIACLGGBUGWAC-VIFPVBQESA-N 1 1 305.338 -1.011 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001445283026 929215814 /nfs/dbraw/zinc/21/58/14/929215814.db2.gz YIXVAOOSNROJJS-MNOVXSKESA-N 1 1 322.369 -1.414 20 0 DAADMO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)c1cnn[nH]1 ZINC001445399843 929220145 /nfs/dbraw/zinc/22/01/45/929220145.db2.gz DQSYWLKIDCIGBD-MRVPVSSYSA-N 1 1 304.314 -1.059 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)c1cnn[nH]1 ZINC001445404496 929220507 /nfs/dbraw/zinc/22/05/07/929220507.db2.gz SXAUXGZQTRDGSI-SECBINFHSA-N 1 1 310.358 -1.192 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001445496402 929227413 /nfs/dbraw/zinc/22/74/13/929227413.db2.gz DHGOSOHROPAFIW-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001445507625 929229777 /nfs/dbraw/zinc/22/97/77/929229777.db2.gz ZKMGGCWLDLMKEY-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001445521333 929232700 /nfs/dbraw/zinc/23/27/00/929232700.db2.gz NDYUTVYCTYRDQY-GHMZBOCLSA-N 1 1 311.342 -1.287 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001445572653 929236209 /nfs/dbraw/zinc/23/62/09/929236209.db2.gz TYYVTRWXULQSLQ-JTQLQIEISA-N 1 1 322.373 -1.512 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445611519 929237588 /nfs/dbraw/zinc/23/75/88/929237588.db2.gz WQTDYPHZUVZKIK-VHSXEESVSA-N 1 1 309.374 -1.036 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445618441 929241108 /nfs/dbraw/zinc/24/11/08/929241108.db2.gz QLGOEDFYRJPZNJ-YUMQZZPRSA-N 1 1 309.330 -1.993 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COCCO1 ZINC001445690886 929251312 /nfs/dbraw/zinc/25/13/12/929251312.db2.gz HVFLNFJVQMTJMG-WDEREUQCSA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COCCO1 ZINC001445690886 929251321 /nfs/dbraw/zinc/25/13/21/929251321.db2.gz HVFLNFJVQMTJMG-WDEREUQCSA-N 1 1 323.415 -1.613 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001445675246 929251362 /nfs/dbraw/zinc/25/13/62/929251362.db2.gz VTZTXPKZABEMKO-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001445675246 929251371 /nfs/dbraw/zinc/25/13/71/929251371.db2.gz VTZTXPKZABEMKO-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001445675246 929251383 /nfs/dbraw/zinc/25/13/83/929251383.db2.gz VTZTXPKZABEMKO-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001445675246 929251396 /nfs/dbraw/zinc/25/13/96/929251396.db2.gz VTZTXPKZABEMKO-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001445675246 929251406 /nfs/dbraw/zinc/25/14/06/929251406.db2.gz VTZTXPKZABEMKO-ZJUUUORDSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001445680599 929251510 /nfs/dbraw/zinc/25/15/10/929251510.db2.gz XMGOJBBLDHTSNO-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001445680599 929251521 /nfs/dbraw/zinc/25/15/21/929251521.db2.gz XMGOJBBLDHTSNO-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001445672535 929252205 /nfs/dbraw/zinc/25/22/05/929252205.db2.gz XBUBWUYMKQQPPO-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@@H](O)C1 ZINC001445672535 929252214 /nfs/dbraw/zinc/25/22/14/929252214.db2.gz XBUBWUYMKQQPPO-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COCCO1 ZINC001445690862 929252233 /nfs/dbraw/zinc/25/22/33/929252233.db2.gz HVFLNFJVQMTJMG-MNOVXSKESA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1COCCO1 ZINC001445690862 929252239 /nfs/dbraw/zinc/25/22/39/929252239.db2.gz HVFLNFJVQMTJMG-MNOVXSKESA-N 1 1 323.415 -1.613 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001445701965 929253610 /nfs/dbraw/zinc/25/36/10/929253610.db2.gz FARARGLFHCJRTR-ZETCQYMHSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001445701965 929253621 /nfs/dbraw/zinc/25/36/21/929253621.db2.gz FARARGLFHCJRTR-ZETCQYMHSA-N 1 1 311.346 -1.631 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740489 929253998 /nfs/dbraw/zinc/25/39/98/929253998.db2.gz IGCLDKSBZMIFQD-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001445740489 929254013 /nfs/dbraw/zinc/25/40/13/929254013.db2.gz IGCLDKSBZMIFQD-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001445716950 929254377 /nfs/dbraw/zinc/25/43/77/929254377.db2.gz JZHKAPAZBROOLS-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001445716950 929254389 /nfs/dbraw/zinc/25/43/89/929254389.db2.gz JZHKAPAZBROOLS-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001445727232 929254590 /nfs/dbraw/zinc/25/45/90/929254590.db2.gz FSUFAFWVUPJIBH-ZJUUUORDSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001445727232 929254600 /nfs/dbraw/zinc/25/46/00/929254600.db2.gz FSUFAFWVUPJIBH-ZJUUUORDSA-N 1 1 302.375 -1.599 20 0 DAADMO Cc1c(CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001445732714 929254811 /nfs/dbraw/zinc/25/48/11/929254811.db2.gz KSXCXKYCAMPDFI-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001445732714 929254820 /nfs/dbraw/zinc/25/48/20/929254820.db2.gz KSXCXKYCAMPDFI-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001445732706 929255113 /nfs/dbraw/zinc/25/51/13/929255113.db2.gz KSXCXKYCAMPDFI-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1c(CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001445732706 929255124 /nfs/dbraw/zinc/25/51/24/929255124.db2.gz KSXCXKYCAMPDFI-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445786634 929256480 /nfs/dbraw/zinc/25/64/80/929256480.db2.gz LAEFYQJPEHJGRJ-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001445754452 929256543 /nfs/dbraw/zinc/25/65/43/929256543.db2.gz QEWKTNKBPRFSBE-MNOVXSKESA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445759981 929256798 /nfs/dbraw/zinc/25/67/98/929256798.db2.gz BIXKOWZOWXRQMZ-NXEZZACHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445759981 929256809 /nfs/dbraw/zinc/25/68/09/929256809.db2.gz BIXKOWZOWXRQMZ-NXEZZACHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001445777144 929256914 /nfs/dbraw/zinc/25/69/14/929256914.db2.gz AFMPXEJXYPYPQR-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001445777144 929256923 /nfs/dbraw/zinc/25/69/23/929256923.db2.gz AFMPXEJXYPYPQR-PELKAZGASA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445775384 929257219 /nfs/dbraw/zinc/25/72/19/929257219.db2.gz VURQZKDJCHPMEJ-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445775384 929257232 /nfs/dbraw/zinc/25/72/32/929257232.db2.gz VURQZKDJCHPMEJ-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001445785292 929257305 /nfs/dbraw/zinc/25/73/05/929257305.db2.gz ZHJYGWITIGGNKI-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001445780567 929257632 /nfs/dbraw/zinc/25/76/32/929257632.db2.gz CYMMCMKNIKGLBB-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001445780567 929257641 /nfs/dbraw/zinc/25/76/41/929257641.db2.gz CYMMCMKNIKGLBB-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CNC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445786633 929257670 /nfs/dbraw/zinc/25/76/70/929257670.db2.gz LAEFYQJPEHJGRJ-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445760004 929257979 /nfs/dbraw/zinc/25/79/79/929257979.db2.gz BIXKOWZOWXRQMZ-UWVGGRQHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445760004 929257988 /nfs/dbraw/zinc/25/79/88/929257988.db2.gz BIXKOWZOWXRQMZ-UWVGGRQHSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001445777147 929258712 /nfs/dbraw/zinc/25/87/12/929258712.db2.gz AFMPXEJXYPYPQR-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001445777147 929258720 /nfs/dbraw/zinc/25/87/20/929258720.db2.gz AFMPXEJXYPYPQR-PRHODGIISA-N 1 1 304.322 -1.254 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001445823286 929260456 /nfs/dbraw/zinc/26/04/56/929260456.db2.gz SGQRUSJFZRTGAK-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001445823286 929260469 /nfs/dbraw/zinc/26/04/69/929260469.db2.gz SGQRUSJFZRTGAK-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001445820630 929260714 /nfs/dbraw/zinc/26/07/14/929260714.db2.gz SSGKVXWCTGQTQI-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001445820630 929260723 /nfs/dbraw/zinc/26/07/23/929260723.db2.gz SSGKVXWCTGQTQI-QMMMGPOBSA-N 1 1 309.392 -2.696 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870202 929262183 /nfs/dbraw/zinc/26/21/83/929262183.db2.gz MZVICQCOGQCYES-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870202 929262195 /nfs/dbraw/zinc/26/21/95/929262195.db2.gz MZVICQCOGQCYES-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001445867935 929262499 /nfs/dbraw/zinc/26/24/99/929262499.db2.gz JBCHKZCYHHDBLS-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001445867935 929262508 /nfs/dbraw/zinc/26/25/08/929262508.db2.gz JBCHKZCYHHDBLS-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001445927101 929265150 /nfs/dbraw/zinc/26/51/50/929265150.db2.gz FLDBLYMTYGNTRB-LDYMZIIASA-N 1 1 309.374 -1.281 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001445957533 929265575 /nfs/dbraw/zinc/26/55/75/929265575.db2.gz WMORFIKDQAKZCD-NSHDSACASA-N 1 1 319.373 -1.031 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001445979718 929267498 /nfs/dbraw/zinc/26/74/98/929267498.db2.gz AQTPKHKXKAZTQM-WDEREUQCSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001445979709 929267705 /nfs/dbraw/zinc/26/77/05/929267705.db2.gz AQTPKHKXKAZTQM-GHMZBOCLSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)c1=O ZINC001446050741 929269245 /nfs/dbraw/zinc/26/92/45/929269245.db2.gz KWRFESDIEWTFGM-LLVKDONJSA-N 1 1 320.357 -1.936 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)c1=O ZINC001446050741 929269255 /nfs/dbraw/zinc/26/92/55/929269255.db2.gz KWRFESDIEWTFGM-LLVKDONJSA-N 1 1 320.357 -1.936 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)OC ZINC001446079062 929272058 /nfs/dbraw/zinc/27/20/58/929272058.db2.gz WVUUYYYNXKTUFZ-VHSXEESVSA-N 1 1 308.404 -1.734 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001446064683 929272791 /nfs/dbraw/zinc/27/27/91/929272791.db2.gz YTBIEANWDQKQIV-CYBMUJFWSA-N 1 1 321.381 -1.068 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001446064683 929272802 /nfs/dbraw/zinc/27/28/02/929272802.db2.gz YTBIEANWDQKQIV-CYBMUJFWSA-N 1 1 321.381 -1.068 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001446098530 929273755 /nfs/dbraw/zinc/27/37/55/929273755.db2.gz KZPHNHCFFOUNEN-MNOVXSKESA-N 1 1 300.359 -1.797 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001446109521 929275120 /nfs/dbraw/zinc/27/51/20/929275120.db2.gz WPEGKZHYKNALII-VHSXEESVSA-N 1 1 310.354 -1.075 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)CN3CCOCC3)CC2)nc1=O ZINC001446169231 929277181 /nfs/dbraw/zinc/27/71/81/929277181.db2.gz YNCYTSBGBYBZSF-UHFFFAOYSA-N 1 1 324.385 -1.821 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(N)=O)C2 ZINC001446342779 929285645 /nfs/dbraw/zinc/28/56/45/929285645.db2.gz PWOXKAHMGNBFMT-IINYFYTJSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001446342779 929285654 /nfs/dbraw/zinc/28/56/54/929285654.db2.gz PWOXKAHMGNBFMT-IINYFYTJSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001446415472 929289836 /nfs/dbraw/zinc/28/98/36/929289836.db2.gz PPEXOWMPFHQUES-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCNS(C)(=O)=O)C1 ZINC001446399153 929290428 /nfs/dbraw/zinc/29/04/28/929290428.db2.gz OFICYXROGPVIJG-LLVKDONJSA-N 1 1 318.443 -1.370 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001446468281 929293078 /nfs/dbraw/zinc/29/30/78/929293078.db2.gz WYSFRTWTWLNUMY-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001446476297 929293770 /nfs/dbraw/zinc/29/37/70/929293770.db2.gz KUFIXZOKXQZLIA-UHFFFAOYSA-N 1 1 309.374 -1.164 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001446512863 929295482 /nfs/dbraw/zinc/29/54/82/929295482.db2.gz LCLLFEBAIPWWRR-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001446512863 929295494 /nfs/dbraw/zinc/29/54/94/929295494.db2.gz LCLLFEBAIPWWRR-GFCCVEGCSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001446530950 929295963 /nfs/dbraw/zinc/29/59/63/929295963.db2.gz HPYBITBDUCQVKA-ZDUSSCGKSA-N 1 1 323.357 -2.296 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001446530950 929295974 /nfs/dbraw/zinc/29/59/74/929295974.db2.gz HPYBITBDUCQVKA-ZDUSSCGKSA-N 1 1 323.357 -2.296 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446542466 929297633 /nfs/dbraw/zinc/29/76/33/929297633.db2.gz UVXSZOIZBJLMPZ-IINYFYTJSA-N 1 1 314.386 -1.454 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446542466 929297644 /nfs/dbraw/zinc/29/76/44/929297644.db2.gz UVXSZOIZBJLMPZ-IINYFYTJSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560442 929297903 /nfs/dbraw/zinc/29/79/03/929297903.db2.gz KSXSVQVFLYGIRM-YMTOWFKASA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560442 929297916 /nfs/dbraw/zinc/29/79/16/929297916.db2.gz KSXSVQVFLYGIRM-YMTOWFKASA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@H+](CCO)C1 ZINC001446556998 929298480 /nfs/dbraw/zinc/29/84/80/929298480.db2.gz HXWPFXCGSOSIGQ-CYBMUJFWSA-N 1 1 319.427 -1.710 20 0 DAADMO C[C@@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@@H+](CCO)C1 ZINC001446556998 929298489 /nfs/dbraw/zinc/29/84/89/929298489.db2.gz HXWPFXCGSOSIGQ-CYBMUJFWSA-N 1 1 319.427 -1.710 20 0 DAADMO C[C@]1(NC(=O)Cc2nc3ncccn3n2)CC[N@H+](CC(N)=O)C1 ZINC001446563923 929298541 /nfs/dbraw/zinc/29/85/41/929298541.db2.gz PNDCCCIDXPWLMI-AWEZNQCLSA-N 1 1 317.353 -1.267 20 0 DAADMO C[C@]1(NC(=O)Cc2nc3ncccn3n2)CC[N@@H+](CC(N)=O)C1 ZINC001446563923 929298550 /nfs/dbraw/zinc/29/85/50/929298550.db2.gz PNDCCCIDXPWLMI-AWEZNQCLSA-N 1 1 317.353 -1.267 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560414 929299095 /nfs/dbraw/zinc/29/90/95/929299095.db2.gz KSXSVQVFLYGIRM-LKFCYVNXSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560414 929299105 /nfs/dbraw/zinc/29/91/05/929299105.db2.gz KSXSVQVFLYGIRM-LKFCYVNXSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446542592 929299432 /nfs/dbraw/zinc/29/94/32/929299432.db2.gz MODPUQXTIYBCAH-IAQYHMDHSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001446543190 929299682 /nfs/dbraw/zinc/29/96/82/929299682.db2.gz VSFXZVSJJUONKK-YGRLFVJLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc3ncccn3n2)CC[N@H+](CC(N)=O)C1 ZINC001446563926 929299784 /nfs/dbraw/zinc/29/97/84/929299784.db2.gz PNDCCCIDXPWLMI-CQSZACIVSA-N 1 1 317.353 -1.267 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc3ncccn3n2)CC[N@@H+](CC(N)=O)C1 ZINC001446563926 929299794 /nfs/dbraw/zinc/29/97/94/929299794.db2.gz PNDCCCIDXPWLMI-CQSZACIVSA-N 1 1 317.353 -1.267 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)CNC(=O)NC)C1 ZINC001446689865 929303994 /nfs/dbraw/zinc/30/39/94/929303994.db2.gz YCHMSWIVLDXTSU-CQSZACIVSA-N 1 1 313.402 -1.120 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446734310 929304528 /nfs/dbraw/zinc/30/45/28/929304528.db2.gz ABEVJJQZBOTKKK-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnccn2)C1 ZINC001446734310 929304537 /nfs/dbraw/zinc/30/45/37/929304537.db2.gz ABEVJJQZBOTKKK-CQSZACIVSA-N 1 1 307.354 -1.221 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001446734959 929304572 /nfs/dbraw/zinc/30/45/72/929304572.db2.gz GZXFMWQIYOHJPC-QPUJVOFHSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001446734959 929304580 /nfs/dbraw/zinc/30/45/80/929304580.db2.gz GZXFMWQIYOHJPC-QPUJVOFHSA-N 1 1 313.383 -1.031 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001446739247 929304695 /nfs/dbraw/zinc/30/46/95/929304695.db2.gz DCLHMFQKIKHKTK-CQSZACIVSA-N 1 1 322.369 -1.686 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001446739247 929304701 /nfs/dbraw/zinc/30/47/01/929304701.db2.gz DCLHMFQKIKHKTK-CQSZACIVSA-N 1 1 322.369 -1.686 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cncnc3)C2)C1=O ZINC001446733714 929304924 /nfs/dbraw/zinc/30/49/24/929304924.db2.gz ALZSGTPILVKHLH-DOMZBBRYSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]c1 ZINC001446739053 929305177 /nfs/dbraw/zinc/30/51/77/929305177.db2.gz SORLEMPDQINODB-CQSZACIVSA-N 1 1 322.369 -1.399 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001446743503 929307613 /nfs/dbraw/zinc/30/76/13/929307613.db2.gz VIRSBXWTILFKIE-OAHLLOKOSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(Cn1cccn1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001446743503 929307626 /nfs/dbraw/zinc/30/76/26/929307626.db2.gz VIRSBXWTILFKIE-OAHLLOKOSA-N 1 1 321.381 -1.285 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446744870 929308158 /nfs/dbraw/zinc/30/81/58/929308158.db2.gz YGQWRLDDMJQKNQ-BXUZGUMPSA-N 1 1 324.385 -1.644 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001446741638 929308562 /nfs/dbraw/zinc/30/85/62/929308562.db2.gz XRHNDUXVUHAOFY-RISCZKNCSA-N 1 1 307.354 -1.193 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cn[nH]c3)C2)C1=O ZINC001446741632 929308806 /nfs/dbraw/zinc/30/88/06/929308806.db2.gz XRHNDUXVUHAOFY-FZMZJTMJSA-N 1 1 307.354 -1.193 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001446748025 929308928 /nfs/dbraw/zinc/30/89/28/929308928.db2.gz RZDQROZHOOLSKE-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001446748025 929308938 /nfs/dbraw/zinc/30/89/38/929308938.db2.gz RZDQROZHOOLSKE-HNNXBMFYSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446744876 929309019 /nfs/dbraw/zinc/30/90/19/929309019.db2.gz YGQWRLDDMJQKNQ-SMDDNHRTSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001446740173 929309480 /nfs/dbraw/zinc/30/94/80/929309480.db2.gz VUFBTDCQCQCCOS-GFCCVEGCSA-N 1 1 302.331 -2.359 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001446740173 929309492 /nfs/dbraw/zinc/30/94/92/929309492.db2.gz VUFBTDCQCQCCOS-GFCCVEGCSA-N 1 1 302.331 -2.359 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446739808 929310131 /nfs/dbraw/zinc/31/01/31/929310131.db2.gz UQZHETASUCJHDO-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446750146 929310316 /nfs/dbraw/zinc/31/03/16/929310316.db2.gz DGGKFYVZPQJEBR-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001446750146 929310329 /nfs/dbraw/zinc/31/03/29/929310329.db2.gz DGGKFYVZPQJEBR-OAHLLOKOSA-N 1 1 321.381 -1.258 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001446746916 929310394 /nfs/dbraw/zinc/31/03/94/929310394.db2.gz AHELHULORKHPCF-LBPRGKRZSA-N 1 1 305.400 -1.405 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cccn2)C1 ZINC001446741788 929310966 /nfs/dbraw/zinc/31/09/66/929310966.db2.gz SBXRGQPTZYCHPD-DOMZBBRYSA-N 1 1 323.397 -1.039 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001446758891 929311297 /nfs/dbraw/zinc/31/12/97/929311297.db2.gz LFHDFJLLAQVUNQ-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001446758891 929311305 /nfs/dbraw/zinc/31/13/05/929311305.db2.gz LFHDFJLLAQVUNQ-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446755447 929311633 /nfs/dbraw/zinc/31/16/33/929311633.db2.gz AQQHYOBFEQBVKX-IINYFYTJSA-N 1 1 324.385 -1.542 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001446759500 929311667 /nfs/dbraw/zinc/31/16/67/929311667.db2.gz DTGDJHAKVQMKFD-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001446759500 929311676 /nfs/dbraw/zinc/31/16/76/929311676.db2.gz DTGDJHAKVQMKFD-HZMBPMFUSA-N 1 1 309.370 -1.057 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001446755446 929312027 /nfs/dbraw/zinc/31/20/27/929312027.db2.gz AQQHYOBFEQBVKX-HZMBPMFUSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001446755175 929312097 /nfs/dbraw/zinc/31/20/97/929312097.db2.gz FYBYCIXTAUKIJM-CQSZACIVSA-N 1 1 310.354 -1.088 20 0 DAADMO CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001446760656 929312153 /nfs/dbraw/zinc/31/21/53/929312153.db2.gz SHWJKVHSASHIJK-JOYOIKCWSA-N 1 1 319.383 -2.528 20 0 DAADMO CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001446760656 929312162 /nfs/dbraw/zinc/31/21/62/929312162.db2.gz SHWJKVHSASHIJK-JOYOIKCWSA-N 1 1 319.383 -2.528 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446756937 929312209 /nfs/dbraw/zinc/31/22/09/929312209.db2.gz IMVTVJYWAFBMIM-YPMHNXCESA-N 1 1 312.374 -1.613 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CCC3)C2)c1=O ZINC001446761328 929313148 /nfs/dbraw/zinc/31/31/48/929313148.db2.gz PAAWMGDDYNMHFR-OAHLLOKOSA-N 1 1 323.397 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001446755244 929313534 /nfs/dbraw/zinc/31/35/34/929313534.db2.gz SPLGAISLHDGHSM-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001446755244 929313542 /nfs/dbraw/zinc/31/35/42/929313542.db2.gz SPLGAISLHDGHSM-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c(C2CC2)n1 ZINC001446757422 929314211 /nfs/dbraw/zinc/31/42/11/929314211.db2.gz WUXMIGVEFBTQSV-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c(C2CC2)n1 ZINC001446757422 929314221 /nfs/dbraw/zinc/31/42/21/929314221.db2.gz WUXMIGVEFBTQSV-OAHLLOKOSA-N 1 1 321.381 -1.051 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1=O ZINC001446756319 929314282 /nfs/dbraw/zinc/31/42/82/929314282.db2.gz LGUZUZZMIFQUFP-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1=O ZINC001446756319 929314291 /nfs/dbraw/zinc/31/42/91/929314291.db2.gz LGUZUZZMIFQUFP-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001446769346 929315207 /nfs/dbraw/zinc/31/52/07/929315207.db2.gz CSDIRWFDKPLUGN-SMDDNHRTSA-N 1 1 324.385 -1.657 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001446763082 929316035 /nfs/dbraw/zinc/31/60/35/929316035.db2.gz SRGMPBWTFGNTHJ-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO CN1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1=O ZINC001446764142 929316573 /nfs/dbraw/zinc/31/65/73/929316573.db2.gz SQOFPTXNRVGWPZ-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001446770270 929316964 /nfs/dbraw/zinc/31/69/64/929316964.db2.gz RHXKTXDTYBFJIB-GXFFZTMASA-N 1 1 301.343 -2.170 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001446770270 929316978 /nfs/dbraw/zinc/31/69/78/929316978.db2.gz RHXKTXDTYBFJIB-GXFFZTMASA-N 1 1 301.343 -2.170 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cc2n(n1)CCO2 ZINC001446765378 929317005 /nfs/dbraw/zinc/31/70/05/929317005.db2.gz VKMPGIYIGUOBBN-AWEZNQCLSA-N 1 1 310.354 -1.176 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1cnco1 ZINC001446767118 929317276 /nfs/dbraw/zinc/31/72/76/929317276.db2.gz AJMWLFROILEOAG-CQSZACIVSA-N 1 1 323.353 -1.134 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446762622 929317582 /nfs/dbraw/zinc/31/75/82/929317582.db2.gz LZRWBZHHTIQPIK-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1cnccc1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446762622 929317587 /nfs/dbraw/zinc/31/75/87/929317587.db2.gz LZRWBZHHTIQPIK-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2ccns2)C1 ZINC001446772153 929318840 /nfs/dbraw/zinc/31/88/40/929318840.db2.gz UYXLMTKETQQOHZ-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2ccns2)C1 ZINC001446772153 929318846 /nfs/dbraw/zinc/31/88/46/929318846.db2.gz UYXLMTKETQQOHZ-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446774832 929318905 /nfs/dbraw/zinc/31/89/05/929318905.db2.gz KKYYKDWGKIHTOG-IINYFYTJSA-N 1 1 314.386 -1.813 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446774832 929318909 /nfs/dbraw/zinc/31/89/09/929318909.db2.gz KKYYKDWGKIHTOG-IINYFYTJSA-N 1 1 314.386 -1.813 20 0 DAADMO C[C@@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446773886 929319067 /nfs/dbraw/zinc/31/90/67/929319067.db2.gz WLYTWXPBULCIFW-PWSUYJOCSA-N 1 1 300.338 -1.026 20 0 DAADMO C[C@@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001446773889 929319214 /nfs/dbraw/zinc/31/92/14/929319214.db2.gz WLYTWXPBULCIFW-ZYHUDNBSSA-N 1 1 300.338 -1.026 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccncn3)C2)C1=O ZINC001446779388 929320236 /nfs/dbraw/zinc/32/02/36/929320236.db2.gz GRXDRSTYSPBNFR-WFASDCNBSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001446779662 929320442 /nfs/dbraw/zinc/32/04/42/929320442.db2.gz WULIMPVBIRPZIF-AWEZNQCLSA-N 1 1 323.353 -1.975 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001446779662 929320447 /nfs/dbraw/zinc/32/04/47/929320447.db2.gz WULIMPVBIRPZIF-AWEZNQCLSA-N 1 1 323.353 -1.975 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ccncn3)C2)C1=O ZINC001446779385 929320552 /nfs/dbraw/zinc/32/05/52/929320552.db2.gz GRXDRSTYSPBNFR-DOMZBBRYSA-N 1 1 319.365 -1.126 20 0 DAADMO NC(=O)CN1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446783431 929320948 /nfs/dbraw/zinc/32/09/48/929320948.db2.gz OTZIJDYEVLGDAM-AWEZNQCLSA-N 1 1 314.386 -2.253 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001446771771 929320981 /nfs/dbraw/zinc/32/09/81/929320981.db2.gz UCDIXCYYYZUNLJ-MFKMUULPSA-N 1 1 323.357 -2.543 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001446776840 929321462 /nfs/dbraw/zinc/32/14/62/929321462.db2.gz UTNWAQGMYUDSHO-LLVKDONJSA-N 1 1 300.340 -1.499 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001446776840 929321472 /nfs/dbraw/zinc/32/14/72/929321472.db2.gz UTNWAQGMYUDSHO-LLVKDONJSA-N 1 1 300.340 -1.499 20 0 DAADMO CO[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)c1cnn(C)c1 ZINC001446779767 929321513 /nfs/dbraw/zinc/32/15/13/929321513.db2.gz VEGNHFNRUWHSDT-JSGCOSHPSA-N 1 1 312.370 -1.347 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001446793092 929322353 /nfs/dbraw/zinc/32/23/53/929322353.db2.gz MLTXCZJHWHRMOW-MWLCHTKSSA-N 1 1 309.363 -1.799 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001446793092 929322359 /nfs/dbraw/zinc/32/23/59/929322359.db2.gz MLTXCZJHWHRMOW-MWLCHTKSSA-N 1 1 309.363 -1.799 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001446794552 929322944 /nfs/dbraw/zinc/32/29/44/929322944.db2.gz NYARRHKBRXOXPE-LKFCYVNXSA-N 1 1 310.354 -1.339 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446798697 929322973 /nfs/dbraw/zinc/32/29/73/929322973.db2.gz CBCKAVVHSVHAIB-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446798697 929322982 /nfs/dbraw/zinc/32/29/82/929322982.db2.gz CBCKAVVHSVHAIB-AWEZNQCLSA-N 1 1 314.386 -1.813 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446790984 929323283 /nfs/dbraw/zinc/32/32/83/929323283.db2.gz RPVYZEQCEVPLEN-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446790984 929323289 /nfs/dbraw/zinc/32/32/89/929323289.db2.gz RPVYZEQCEVPLEN-HZMBPMFUSA-N 1 1 309.370 -1.231 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)n1 ZINC001446785935 929323420 /nfs/dbraw/zinc/32/34/20/929323420.db2.gz LWEBQGSCPOQWRA-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)n1 ZINC001446785935 929323429 /nfs/dbraw/zinc/32/34/29/929323429.db2.gz LWEBQGSCPOQWRA-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791058 929324144 /nfs/dbraw/zinc/32/41/44/929324144.db2.gz RPVYZEQCEVPLEN-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001446791058 929324156 /nfs/dbraw/zinc/32/41/56/929324156.db2.gz RPVYZEQCEVPLEN-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001446790087 929324752 /nfs/dbraw/zinc/32/47/52/929324752.db2.gz WGTTYTKXMXHAAK-BMIGLBTASA-N 1 1 324.381 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC23CC3)C1 ZINC001446790087 929324762 /nfs/dbraw/zinc/32/47/62/929324762.db2.gz WGTTYTKXMXHAAK-BMIGLBTASA-N 1 1 324.381 -1.205 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001446793096 929324929 /nfs/dbraw/zinc/32/49/29/929324929.db2.gz MLTXCZJHWHRMOW-ONGXEEELSA-N 1 1 309.363 -1.799 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001446793096 929324940 /nfs/dbraw/zinc/32/49/40/929324940.db2.gz MLTXCZJHWHRMOW-ONGXEEELSA-N 1 1 309.363 -1.799 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001446790089 929324975 /nfs/dbraw/zinc/32/49/75/929324975.db2.gz WGTTYTKXMXHAAK-BONVTDFDSA-N 1 1 324.381 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001446790089 929324987 /nfs/dbraw/zinc/32/49/87/929324987.db2.gz WGTTYTKXMXHAAK-BONVTDFDSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001446785262 929325110 /nfs/dbraw/zinc/32/51/10/929325110.db2.gz LHTBIOHLXJSVLH-TYNCELHUSA-N 1 1 321.381 -1.406 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001446785262 929325122 /nfs/dbraw/zinc/32/51/22/929325122.db2.gz LHTBIOHLXJSVLH-TYNCELHUSA-N 1 1 321.381 -1.406 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001446801432 929326008 /nfs/dbraw/zinc/32/60/08/929326008.db2.gz RPXAVEJGLFRXGL-NHYWBVRUSA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446812623 929326080 /nfs/dbraw/zinc/32/60/80/929326080.db2.gz ZQRBXQRZNDHBAK-AWEZNQCLSA-N 1 1 309.370 -1.393 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446812623 929326086 /nfs/dbraw/zinc/32/60/86/929326086.db2.gz ZQRBXQRZNDHBAK-AWEZNQCLSA-N 1 1 309.370 -1.393 20 0 DAADMO O=C(Cn1cncn1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001446803868 929326136 /nfs/dbraw/zinc/32/61/36/929326136.db2.gz INCNHOBTKOHENC-GXTWGEPZSA-N 1 1 309.370 -1.132 20 0 DAADMO COCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001446803809 929326896 /nfs/dbraw/zinc/32/68/96/929326896.db2.gz IFXHYIFTWHQUIR-CQSZACIVSA-N 1 1 312.370 -1.312 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001446802422 929326930 /nfs/dbraw/zinc/32/69/30/929326930.db2.gz LIOBXNRGOYGUME-MFKMUULPSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001446802422 929326938 /nfs/dbraw/zinc/32/69/38/929326938.db2.gz LIOBXNRGOYGUME-MFKMUULPSA-N 1 1 313.358 -2.093 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001446802422 929326951 /nfs/dbraw/zinc/32/69/51/929326951.db2.gz LIOBXNRGOYGUME-MFKMUULPSA-N 1 1 313.358 -2.093 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001446806326 929327036 /nfs/dbraw/zinc/32/70/36/929327036.db2.gz PJXPIVDTHZPZOJ-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001446806326 929327047 /nfs/dbraw/zinc/32/70/47/929327047.db2.gz PJXPIVDTHZPZOJ-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001446806874 929327196 /nfs/dbraw/zinc/32/71/96/929327196.db2.gz QOLHTINVRNFEHO-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001446806874 929327204 /nfs/dbraw/zinc/32/72/04/929327204.db2.gz QOLHTINVRNFEHO-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001446812815 929327294 /nfs/dbraw/zinc/32/72/94/929327294.db2.gz HSZAHGZWOPETKI-TZMCWYRMSA-N 1 1 312.370 -1.557 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001446807518 929327340 /nfs/dbraw/zinc/32/73/40/929327340.db2.gz MKHBGUZZTXZEER-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001446807518 929327353 /nfs/dbraw/zinc/32/73/53/929327353.db2.gz MKHBGUZZTXZEER-IINYFYTJSA-N 1 1 324.385 -1.401 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001446812519 929327825 /nfs/dbraw/zinc/32/78/25/929327825.db2.gz ZAOUZHVZPVJNEP-AWEZNQCLSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001446812519 929327831 /nfs/dbraw/zinc/32/78/31/929327831.db2.gz ZAOUZHVZPVJNEP-AWEZNQCLSA-N 1 1 324.385 -1.644 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1CCC(=O)N1 ZINC001446830976 929330689 /nfs/dbraw/zinc/33/06/89/929330689.db2.gz OETQERZKEJFPQB-NWDGAFQWSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCCOC2)C1)[C@H]1CCC(=O)N1 ZINC001446830983 929332358 /nfs/dbraw/zinc/33/23/58/929332358.db2.gz OETQERZKEJFPQB-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCOC2)C1)c1cnc[nH]c1=O ZINC001446857624 929340864 /nfs/dbraw/zinc/34/08/64/929340864.db2.gz URXATTRYRKAUPU-JTQLQIEISA-N 1 1 308.338 -1.005 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001446859578 929342325 /nfs/dbraw/zinc/34/23/25/929342325.db2.gz WEICCAHWUXCMJH-UHFFFAOYSA-N 1 1 319.427 -1.159 20 0 DAADMO Cn1nc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)ccc1=O ZINC001446899823 929348149 /nfs/dbraw/zinc/34/81/49/929348149.db2.gz VCHAVZSHFJGVEI-NSHDSACASA-N 1 1 322.365 -1.407 20 0 DAADMO CO[C@H](C)CN1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001446891992 929348522 /nfs/dbraw/zinc/34/85/22/929348522.db2.gz RCPJKKYIPBECMF-CYBMUJFWSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(NCC1(O)C[NH+](CC2CCC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001446898285 929348627 /nfs/dbraw/zinc/34/86/27/929348627.db2.gz XVFIYPCDMHSDRY-JTQLQIEISA-N 1 1 310.354 -1.453 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001446903918 929350696 /nfs/dbraw/zinc/35/06/96/929350696.db2.gz IANXWOZXFPCDSA-UHFFFAOYSA-N 1 1 300.403 -1.373 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001446912512 929350884 /nfs/dbraw/zinc/35/08/84/929350884.db2.gz ONAJSOBMSAWPKY-SNVBAGLBSA-N 1 1 305.400 -1.503 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCCO)C2)C1 ZINC001446925934 929352924 /nfs/dbraw/zinc/35/29/24/929352924.db2.gz ZEFZJMXORLVZHS-LBPRGKRZSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCCO)C2)C1 ZINC001446925934 929352937 /nfs/dbraw/zinc/35/29/37/929352937.db2.gz ZEFZJMXORLVZHS-LBPRGKRZSA-N 1 1 301.387 -1.748 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C)C2 ZINC001446917024 929353325 /nfs/dbraw/zinc/35/33/25/929353325.db2.gz NVBJZXXOVXXVLE-TUAOUCFPSA-N 1 1 321.385 -1.185 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C)C2 ZINC001446917024 929353332 /nfs/dbraw/zinc/35/33/32/929353332.db2.gz NVBJZXXOVXXVLE-TUAOUCFPSA-N 1 1 321.385 -1.185 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCCO)C2)C1 ZINC001446925933 929353519 /nfs/dbraw/zinc/35/35/19/929353519.db2.gz ZEFZJMXORLVZHS-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCCO)C2)C1 ZINC001446925933 929353532 /nfs/dbraw/zinc/35/35/32/929353532.db2.gz ZEFZJMXORLVZHS-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001446979261 929356239 /nfs/dbraw/zinc/35/62/39/929356239.db2.gz BGWPSCKLBNHUJV-PHIMTYICSA-N 1 1 322.406 -1.258 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001446982962 929356604 /nfs/dbraw/zinc/35/66/04/929356604.db2.gz XAHGRRJYGIFEOK-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001446963556 929357062 /nfs/dbraw/zinc/35/70/62/929357062.db2.gz WBEGHFPFHOAFBX-KXUCPTDWSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ncccn3)C[C@H]2C1 ZINC001446981259 929357359 /nfs/dbraw/zinc/35/73/59/929357359.db2.gz PZWGMXAEVDFPSD-AOOOYVTPSA-N 1 1 318.337 -1.325 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001447002035 929359156 /nfs/dbraw/zinc/35/91/56/929359156.db2.gz SXSTVZGYGINZKD-QWRGUYRKSA-N 1 1 322.369 -1.035 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]2C1 ZINC001446990914 929359178 /nfs/dbraw/zinc/35/91/78/929359178.db2.gz UMNMQIMUHRDGPO-PHIMTYICSA-N 1 1 311.386 -1.429 20 0 DAADMO NC(=O)C[NH2+]C1CCN(CCNC(=O)CCc2nc[nH]n2)CC1 ZINC001446988265 929360207 /nfs/dbraw/zinc/36/02/07/929360207.db2.gz KQDCTJOXDKGSQS-UHFFFAOYSA-N 1 1 323.401 -1.607 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)co1 ZINC001447015753 929362773 /nfs/dbraw/zinc/36/27/73/929362773.db2.gz YZGWALYSUYWOOL-CQSZACIVSA-N 1 1 311.338 -1.073 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cccnn1)c1nnnn1C ZINC001447050218 929364793 /nfs/dbraw/zinc/36/47/93/929364793.db2.gz FTOJUJJDVCBABN-JTQLQIEISA-N 1 1 320.357 -1.215 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001447037347 929365799 /nfs/dbraw/zinc/36/57/99/929365799.db2.gz YNSVRHXLWBKRSP-WDEREUQCSA-N 1 1 320.415 -2.045 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001447110117 929370085 /nfs/dbraw/zinc/37/00/85/929370085.db2.gz XRGRMNBYCIVRNL-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001447110117 929370091 /nfs/dbraw/zinc/37/00/91/929370091.db2.gz XRGRMNBYCIVRNL-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001447110131 929370536 /nfs/dbraw/zinc/37/05/36/929370536.db2.gz XRGRMNBYCIVRNL-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001447110131 929370546 /nfs/dbraw/zinc/37/05/46/929370546.db2.gz XRGRMNBYCIVRNL-VXGBXAGGSA-N 1 1 310.358 -1.473 20 0 DAADMO C[N@H+](CC(N)=O)Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001447074763 929370788 /nfs/dbraw/zinc/37/07/88/929370788.db2.gz CUQFLJYXGZCQMU-LBPRGKRZSA-N 1 1 319.365 -1.099 20 0 DAADMO C[N@@H+](CC(N)=O)Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001447074763 929370798 /nfs/dbraw/zinc/37/07/98/929370798.db2.gz CUQFLJYXGZCQMU-LBPRGKRZSA-N 1 1 319.365 -1.099 20 0 DAADMO NC(=O)CN1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001447151604 929374095 /nfs/dbraw/zinc/37/40/95/929374095.db2.gz QROLOUTXHDMPHD-LBPRGKRZSA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1ncnc1C[NH2+]C1(CNC(=O)CS(C)(=O)=O)CCC1 ZINC001447187443 929376536 /nfs/dbraw/zinc/37/65/36/929376536.db2.gz UKNIZKVCRFHRJS-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)CC1 ZINC001447297173 929384703 /nfs/dbraw/zinc/38/47/03/929384703.db2.gz ABXPRVRDTCYFRC-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447314815 929385452 /nfs/dbraw/zinc/38/54/52/929385452.db2.gz ZXTWNLJDSNIHSB-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001447357416 929386033 /nfs/dbraw/zinc/38/60/33/929386033.db2.gz PYLRNVLKTXNLDJ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CN1CCC(=O)NC1=O ZINC001447366992 929387043 /nfs/dbraw/zinc/38/70/43/929387043.db2.gz KHETULVELOQIDI-UHFFFAOYSA-N 1 1 313.358 -1.806 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(CC(=O)NC)C2)C1 ZINC001447378949 929389209 /nfs/dbraw/zinc/38/92/09/929389209.db2.gz PVQLPHLOIXWKIU-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](O)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C)n1)CO2 ZINC001447412758 929391070 /nfs/dbraw/zinc/39/10/70/929391070.db2.gz XZFOOZOOHRASOY-WDEREUQCSA-N 1 1 324.385 -1.056 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2nc[nH]n2)C1 ZINC001447454716 929393334 /nfs/dbraw/zinc/39/33/34/929393334.db2.gz DZIQHDCYPUIWCY-ZDUSSCGKSA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001447529850 929397137 /nfs/dbraw/zinc/39/71/37/929397137.db2.gz IAVIKUDLKPTCSC-OUAUKWLOSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ncnn2C)[C@@H](C)C1 ZINC001447555363 929400369 /nfs/dbraw/zinc/40/03/69/929400369.db2.gz WMKBJCDXWDNSAA-UWVGGRQHSA-N 1 1 309.374 -1.319 20 0 DAADMO CC(=O)NCC(=O)N1CCC(O)(C[NH2+]Cc2cnon2)CC1 ZINC001447588830 929401294 /nfs/dbraw/zinc/40/12/94/929401294.db2.gz MKWBFLAZEFWPRE-UHFFFAOYSA-N 1 1 311.342 -1.351 20 0 DAADMO C[C@H](CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1)NC(N)=O ZINC001447589350 929401796 /nfs/dbraw/zinc/40/17/96/929401796.db2.gz FLIPCEGQZGXUTE-LLVKDONJSA-N 1 1 313.402 -1.746 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001447650881 929403707 /nfs/dbraw/zinc/40/37/07/929403707.db2.gz HERDGLYRCSARMW-PWSUYJOCSA-N 1 1 322.431 -1.610 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001447674936 929406477 /nfs/dbraw/zinc/40/64/77/929406477.db2.gz RVECEXYDAPEKST-KZVDOYCCSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001447673908 929406532 /nfs/dbraw/zinc/40/65/32/929406532.db2.gz ODBNQRCOERFHGP-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO O=C(Cc1cc[nH]n1)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001447715636 929407151 /nfs/dbraw/zinc/40/71/51/929407151.db2.gz VHIXHAAUWUYJQW-GFCCVEGCSA-N 1 1 321.381 -1.216 20 0 DAADMO C[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001447718770 929407294 /nfs/dbraw/zinc/40/72/94/929407294.db2.gz AGTYDPXGSITCTK-QWRGUYRKSA-N 1 1 322.427 -1.257 20 0 DAADMO C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001447718745 929408205 /nfs/dbraw/zinc/40/82/05/929408205.db2.gz AGTYDPXGSITCTK-GHMZBOCLSA-N 1 1 322.427 -1.257 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001447712468 929408691 /nfs/dbraw/zinc/40/86/91/929408691.db2.gz MNSBWQJOFFELEJ-SNVBAGLBSA-N 1 1 312.370 -2.046 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC001447726692 929409618 /nfs/dbraw/zinc/40/96/18/929409618.db2.gz WMBVCAJFZDJMDZ-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CNC(=O)NC)CC1 ZINC001447720717 929409871 /nfs/dbraw/zinc/40/98/71/929409871.db2.gz LVWLUTSECRYEJW-UHFFFAOYSA-N 1 1 315.374 -2.396 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001447739964 929410879 /nfs/dbraw/zinc/41/08/79/929410879.db2.gz SYLRWPJOEDZQEE-GFCCVEGCSA-N 1 1 323.397 -1.039 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](C)O ZINC001447766058 929411339 /nfs/dbraw/zinc/41/13/39/929411339.db2.gz FHXUNGPUJFLXDQ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447784237 929411436 /nfs/dbraw/zinc/41/14/36/929411436.db2.gz QSYCTXVZVJVJEP-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)Cn1cccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447784237 929411447 /nfs/dbraw/zinc/41/14/47/929411447.db2.gz QSYCTXVZVJVJEP-NWDGAFQWSA-N 1 1 309.370 -1.165 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001447762911 929412522 /nfs/dbraw/zinc/41/25/22/929412522.db2.gz ZGKCYUXQWVHTTN-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001447762911 929412526 /nfs/dbraw/zinc/41/25/26/929412526.db2.gz ZGKCYUXQWVHTTN-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447858407 929414984 /nfs/dbraw/zinc/41/49/84/929414984.db2.gz ZWESPUIJEFYFBD-PSASIEDQSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447858407 929414991 /nfs/dbraw/zinc/41/49/91/929414991.db2.gz ZWESPUIJEFYFBD-PSASIEDQSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001447852059 929415012 /nfs/dbraw/zinc/41/50/12/929415012.db2.gz CBZURBJPARINPF-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)cn1 ZINC001447852059 929415016 /nfs/dbraw/zinc/41/50/16/929415016.db2.gz CBZURBJPARINPF-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnnn2C)nnn1C ZINC001447832008 929415317 /nfs/dbraw/zinc/41/53/17/929415317.db2.gz BUBLGWPUVRKKOH-YUMQZZPRSA-N 1 1 307.362 -1.056 20 0 DAADMO C[C@H](CNC(=O)c1cnsn1)[N@H+](C)CC(=O)NC(N)=O ZINC001447986385 929421796 /nfs/dbraw/zinc/42/17/96/929421796.db2.gz IXGMPVOLDOAZPQ-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](CNC(=O)c1cnsn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001447986385 929421804 /nfs/dbraw/zinc/42/18/04/929421804.db2.gz IXGMPVOLDOAZPQ-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001448011659 929423104 /nfs/dbraw/zinc/42/31/04/929423104.db2.gz CZBOJVUNYRJHGV-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001448011659 929423107 /nfs/dbraw/zinc/42/31/07/929423107.db2.gz CZBOJVUNYRJHGV-QMMMGPOBSA-N 1 1 311.346 -1.679 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001448013904 929423250 /nfs/dbraw/zinc/42/32/50/929423250.db2.gz HLBUPZFZIMVUFS-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001448013904 929423251 /nfs/dbraw/zinc/42/32/51/929423251.db2.gz HLBUPZFZIMVUFS-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)n1cncn1)[N@H+](C)CC(=O)NC(N)=O ZINC001448017310 929423772 /nfs/dbraw/zinc/42/37/72/929423772.db2.gz VFPJXPMUTBITHC-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)n1cncn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001448017310 929423781 /nfs/dbraw/zinc/42/37/81/929423781.db2.gz VFPJXPMUTBITHC-RKDXNWHRSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001448027144 929425261 /nfs/dbraw/zinc/42/52/61/929425261.db2.gz BHLOMNQTJBYMNP-QWRGUYRKSA-N 1 1 324.447 -1.458 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001448030724 929425339 /nfs/dbraw/zinc/42/53/39/929425339.db2.gz CUHNGHDGNFSLDH-VHSXEESVSA-N 1 1 302.375 -1.599 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001448030724 929425347 /nfs/dbraw/zinc/42/53/47/929425347.db2.gz CUHNGHDGNFSLDH-VHSXEESVSA-N 1 1 302.375 -1.599 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001448027371 929425521 /nfs/dbraw/zinc/42/55/21/929425521.db2.gz BLDICKPLURMRAS-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001448027371 929425526 /nfs/dbraw/zinc/42/55/26/929425526.db2.gz BLDICKPLURMRAS-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001448033578 929426169 /nfs/dbraw/zinc/42/61/69/929426169.db2.gz GQOGEVJMTYBRME-UWVGGRQHSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001448033578 929426174 /nfs/dbraw/zinc/42/61/74/929426174.db2.gz GQOGEVJMTYBRME-UWVGGRQHSA-N 1 1 301.391 -1.171 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001448066235 929427703 /nfs/dbraw/zinc/42/77/03/929427703.db2.gz IUQHTJMDVSGXMH-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001448066235 929427705 /nfs/dbraw/zinc/42/77/05/929427705.db2.gz IUQHTJMDVSGXMH-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001448047081 929427765 /nfs/dbraw/zinc/42/77/65/929427765.db2.gz OLEJAITXIWJMGJ-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001448047081 929427772 /nfs/dbraw/zinc/42/77/72/929427772.db2.gz OLEJAITXIWJMGJ-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072429 929428076 /nfs/dbraw/zinc/42/80/76/929428076.db2.gz RIKWPJHURCFSRY-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072429 929428085 /nfs/dbraw/zinc/42/80/85/929428085.db2.gz RIKWPJHURCFSRY-DTWKUNHWSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072427 929428176 /nfs/dbraw/zinc/42/81/76/929428176.db2.gz RIKWPJHURCFSRY-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072427 929428183 /nfs/dbraw/zinc/42/81/83/929428183.db2.gz RIKWPJHURCFSRY-BDAKNGLRSA-N 1 1 308.404 -1.635 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001448046912 929428424 /nfs/dbraw/zinc/42/84/24/929428424.db2.gz ZPTDKYORJKHWKW-UWVGGRQHSA-N 1 1 322.431 -1.422 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001448066230 929428493 /nfs/dbraw/zinc/42/84/93/929428493.db2.gz IUQHTJMDVSGXMH-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)cc2c(=O)[nH]1 ZINC001448066230 929428499 /nfs/dbraw/zinc/42/84/99/929428499.db2.gz IUQHTJMDVSGXMH-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001448046907 929428741 /nfs/dbraw/zinc/42/87/41/929428741.db2.gz ZPTDKYORJKHWKW-NXEZZACHSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001448123043 929430019 /nfs/dbraw/zinc/43/00/19/929430019.db2.gz WTDOXFXHOKDFOL-VHSXEESVSA-N 1 1 313.362 -2.393 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001448088887 929430251 /nfs/dbraw/zinc/43/02/51/929430251.db2.gz LNJKPRKICIDZPU-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)[N@H+](C)CCNS(C)(=O)=O ZINC001448120099 929430511 /nfs/dbraw/zinc/43/05/11/929430511.db2.gz MFEXCGGCGFYYLU-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448120099 929430516 /nfs/dbraw/zinc/43/05/16/929430516.db2.gz MFEXCGGCGFYYLU-SNVBAGLBSA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)CCC(=O)N1CCOCC1)[N@H+](C)CC(N)=O ZINC001448128950 929432682 /nfs/dbraw/zinc/43/26/82/929432682.db2.gz XMKSZAWVRIDTOE-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](CNC(=O)CCC(=O)N1CCOCC1)[N@@H+](C)CC(N)=O ZINC001448128950 929432691 /nfs/dbraw/zinc/43/26/91/929432691.db2.gz XMKSZAWVRIDTOE-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001448175288 929436899 /nfs/dbraw/zinc/43/68/99/929436899.db2.gz JNWYVSMMAQBMGX-UHFFFAOYSA-N 1 1 324.381 -1.490 20 0 DAADMO CCCC[NH+]1CC(CCO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001448171088 929437139 /nfs/dbraw/zinc/43/71/39/929437139.db2.gz ICIGVYXVSIPPSY-UHFFFAOYSA-N 1 1 311.386 -1.065 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)C1(CS(C)(=O)=O)COC1 ZINC001448170778 929437561 /nfs/dbraw/zinc/43/75/61/929437561.db2.gz BBHSRMFLVSUERV-UHFFFAOYSA-N 1 1 308.400 -1.522 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C1(CS(C)(=O)=O)COC1 ZINC001448170778 929437564 /nfs/dbraw/zinc/43/75/64/929437564.db2.gz BBHSRMFLVSUERV-UHFFFAOYSA-N 1 1 308.400 -1.522 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H](CO)CN1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001448187666 929438315 /nfs/dbraw/zinc/43/83/15/929438315.db2.gz INZADQDWDSHOIU-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001448239130 929443148 /nfs/dbraw/zinc/44/31/48/929443148.db2.gz KGUGHHVMEZJXGK-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001448283805 929445467 /nfs/dbraw/zinc/44/54/67/929445467.db2.gz ZLWJKLAJCDEKAF-KOLCDFICSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)CN2CCCNC2=O)C1 ZINC001448308525 929447620 /nfs/dbraw/zinc/44/76/20/929447620.db2.gz HVNKOUBMWMWZJL-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001448405871 929451029 /nfs/dbraw/zinc/45/10/29/929451029.db2.gz JXXRRMDXCHVWCB-OWUUHHOZSA-N 1 1 311.342 -2.389 20 0 DAADMO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)S(C)(=O)=O ZINC001448426307 929451639 /nfs/dbraw/zinc/45/16/39/929451639.db2.gz VRINLSQLZGXMNX-CNDDSTCGSA-N 1 1 319.427 -1.446 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001448441254 929452714 /nfs/dbraw/zinc/45/27/14/929452714.db2.gz KJURDBDLZLTCIN-RVMXOQNASA-N 1 1 310.398 -1.059 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001448437226 929452784 /nfs/dbraw/zinc/45/27/84/929452784.db2.gz LDQWTGSNQIKLOT-XDQVBPFNSA-N 1 1 324.425 -1.253 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001448431889 929452830 /nfs/dbraw/zinc/45/28/30/929452830.db2.gz NVNAGOLMQPGNQP-OWUUHHOZSA-N 1 1 308.342 -2.639 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001448441252 929453278 /nfs/dbraw/zinc/45/32/78/929453278.db2.gz KJURDBDLZLTCIN-FVCCEPFGSA-N 1 1 310.398 -1.059 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCNC(N)=O)C[C@H]2C1 ZINC001448467767 929455540 /nfs/dbraw/zinc/45/55/40/929455540.db2.gz GIBCTPVYVHOWML-DCAQKATOSA-N 1 1 311.386 -1.253 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001448474566 929457075 /nfs/dbraw/zinc/45/70/75/929457075.db2.gz OVVQEMAMYOQAOM-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001448537306 929458466 /nfs/dbraw/zinc/45/84/66/929458466.db2.gz WHWOFXPYRFVJGR-UHFFFAOYSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448576618 929458566 /nfs/dbraw/zinc/45/85/66/929458566.db2.gz YNYVSIFGYMXIEV-GHMZBOCLSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1ccn[nH]1)C(=O)NC(N)=O ZINC001448635612 929461325 /nfs/dbraw/zinc/46/13/25/929461325.db2.gz HTPYWAWGBIYPFX-DTWKUNHWSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CN(C)C(=O)c1cnc[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001448676308 929462876 /nfs/dbraw/zinc/46/28/76/929462876.db2.gz HFFJTMQJKOMQHN-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)Cn2cnnn2)C1 ZINC001448702492 929465132 /nfs/dbraw/zinc/46/51/32/929465132.db2.gz UMUQOAXFHLNQCE-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)Cn2cnnn2)C1 ZINC001448702488 929465694 /nfs/dbraw/zinc/46/56/94/929465694.db2.gz UMUQOAXFHLNQCE-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)[NH2+]Cc1cnon1 ZINC001448721075 929468245 /nfs/dbraw/zinc/46/82/45/929468245.db2.gz XQAQAIPGHPNZEW-SNVBAGLBSA-N 1 1 323.357 -1.008 20 0 DAADMO CN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448751401 929469437 /nfs/dbraw/zinc/46/94/37/929469437.db2.gz NPEBQLRELCGVJI-SNVBAGLBSA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448751401 929469440 /nfs/dbraw/zinc/46/94/40/929469440.db2.gz NPEBQLRELCGVJI-SNVBAGLBSA-N 1 1 321.399 -2.064 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001448767802 929470158 /nfs/dbraw/zinc/47/01/58/929470158.db2.gz JLLRGELNKRXQPE-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1cc(C)on1 ZINC001448777309 929471842 /nfs/dbraw/zinc/47/18/42/929471842.db2.gz GDHVFFLCPAIDDD-VIFPVBQESA-N 1 1 300.315 -1.365 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)CCO2)ncn1 ZINC001448822011 929479628 /nfs/dbraw/zinc/47/96/28/929479628.db2.gz ALRCQKMROSRSEL-ZIAGYGMSSA-N 1 1 323.397 -1.318 20 0 DAADMO CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001448829997 929485835 /nfs/dbraw/zinc/48/58/35/929485835.db2.gz KMTUNCFCGAAGLS-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001448829194 929486497 /nfs/dbraw/zinc/48/64/97/929486497.db2.gz GLCCREXXLMDCFD-ZJUUUORDSA-N 1 1 311.342 -1.665 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC001448829321 929487033 /nfs/dbraw/zinc/48/70/33/929487033.db2.gz IYCSAFWQGUCNPI-GHMZBOCLSA-N 1 1 324.385 -1.077 20 0 DAADMO COc1ccnc(C[NH2+][C@@H](CO)CNC(=O)Cn2ncnn2)c1 ZINC001448834802 929487798 /nfs/dbraw/zinc/48/77/98/929487798.db2.gz DJWBBMCEDYMBFV-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@@H]1COC(=O)N1 ZINC001448838204 929487825 /nfs/dbraw/zinc/48/78/25/929487825.db2.gz YUOIKIJAXUBAQE-SVRRBLITSA-N 1 1 301.328 -1.787 20 0 DAADMO C[NH+](C)C1(C(=O)NC[C@H](CO)NCC(=O)N2CCC2)CCC1 ZINC001448834670 929488541 /nfs/dbraw/zinc/48/85/41/929488541.db2.gz DDDRSXGJSMBJIK-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001448834425 929489275 /nfs/dbraw/zinc/48/92/75/929489275.db2.gz CNZPOSNAAKTDBC-LLVKDONJSA-N 1 1 310.358 -1.719 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)CC1=O ZINC001448833668 929489303 /nfs/dbraw/zinc/48/93/03/929489303.db2.gz BKRUKYZMVQTQKT-IUCAKERBSA-N 1 1 313.383 -1.417 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cc[nH]c(=O)c1 ZINC001448846175 929492755 /nfs/dbraw/zinc/49/27/55/929492755.db2.gz XGKWTVUWUXSSJU-JTQLQIEISA-N 1 1 306.326 -1.204 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001448842598 929492880 /nfs/dbraw/zinc/49/28/80/929492880.db2.gz WWDDAJQAODRCQG-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001448843956 929493664 /nfs/dbraw/zinc/49/36/64/929493664.db2.gz OXKXJGBCWFORSL-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001448853489 929495206 /nfs/dbraw/zinc/49/52/06/929495206.db2.gz BWTQTZPKMVUHSY-VXGBXAGGSA-N 1 1 300.403 -1.341 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001448851543 929495783 /nfs/dbraw/zinc/49/57/83/929495783.db2.gz ZQJDBOWIVWFYEA-JTQLQIEISA-N 1 1 309.330 -1.510 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001448855869 929497954 /nfs/dbraw/zinc/49/79/54/929497954.db2.gz GRVCRIRAKVPOEI-NSHDSACASA-N 1 1 324.341 -1.855 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)c1 ZINC001448865162 929500228 /nfs/dbraw/zinc/50/02/28/929500228.db2.gz PILASNGPVPYNMF-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001448873240 929502362 /nfs/dbraw/zinc/50/23/62/929502362.db2.gz ZLQAICFDMMJZDU-VIFPVBQESA-N 1 1 321.341 -2.211 20 0 DAADMO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)o1 ZINC001448882196 929505933 /nfs/dbraw/zinc/50/59/33/929505933.db2.gz GQIIQWHNNJDCEL-ONGXEEELSA-N 1 1 311.342 -1.427 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001448887552 929507396 /nfs/dbraw/zinc/50/73/96/929507396.db2.gz JSZPFBZIUWLVOY-QWRGUYRKSA-N 1 1 323.353 -1.662 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448883386 929507515 /nfs/dbraw/zinc/50/75/15/929507515.db2.gz KQJBQSPKRXZATB-SNVBAGLBSA-N 1 1 320.415 -1.938 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C1(NC(N)=O)CC1 ZINC001448888299 929508740 /nfs/dbraw/zinc/50/87/40/929508740.db2.gz WVFAGGHTOFTLCM-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448892050 929509887 /nfs/dbraw/zinc/50/98/87/929509887.db2.gz QOXNHNQWYROVBS-HTQZYQBOSA-N 1 1 314.371 -1.905 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001448901190 929510817 /nfs/dbraw/zinc/51/08/17/929510817.db2.gz UFSORVCBYIFMDT-NXEZZACHSA-N 1 1 320.357 -1.250 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](CO)N[C@H]2CCCNC2=O)CC1 ZINC001448899547 929511316 /nfs/dbraw/zinc/51/13/16/929511316.db2.gz RIKUICAQZZAUTN-RYUDHWBXSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)cn1 ZINC001448901197 929511413 /nfs/dbraw/zinc/51/14/13/929511413.db2.gz UFSORVCBYIFMDT-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1nonc1CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001448916755 929512962 /nfs/dbraw/zinc/51/29/62/929512962.db2.gz GXKCYBJLYHRDBC-JTQLQIEISA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCc1ncccn1 ZINC001448923461 929517043 /nfs/dbraw/zinc/51/70/43/929517043.db2.gz OMQZPFJBYPSULY-NSHDSACASA-N 1 1 319.369 -1.195 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NC ZINC001448944576 929523207 /nfs/dbraw/zinc/52/32/07/929523207.db2.gz IQGRZSWJJNDNND-VXGBXAGGSA-N 1 1 300.403 -1.327 20 0 DAADMO Cn1cc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001448947906 929523742 /nfs/dbraw/zinc/52/37/42/929523742.db2.gz ORXNHTZMFCULJH-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC001448951782 929524428 /nfs/dbraw/zinc/52/44/28/929524428.db2.gz MGVCOAHVTDHANS-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@H](C)C(=O)NC(N)=O ZINC001448953160 929525170 /nfs/dbraw/zinc/52/51/70/929525170.db2.gz VFSDOTAGKHEXCW-ZJUUUORDSA-N 1 1 317.390 -2.023 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@H](C)C(=O)NC(N)=O ZINC001448953160 929525173 /nfs/dbraw/zinc/52/51/73/929525173.db2.gz VFSDOTAGKHEXCW-ZJUUUORDSA-N 1 1 317.390 -2.023 20 0 DAADMO CCN1CC[C@H](N[C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001448956181 929525893 /nfs/dbraw/zinc/52/58/93/929525893.db2.gz QEZDJBBZEFTXRV-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001448961986 929528327 /nfs/dbraw/zinc/52/83/27/929528327.db2.gz YUARVYKYRMNHHZ-NSHDSACASA-N 1 1 316.383 -1.803 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CCn3cnnn3)CCC[C@H]12 ZINC001449011704 929530568 /nfs/dbraw/zinc/53/05/68/929530568.db2.gz JUEFIGSXPCIIFG-FZMZJTMJSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCNC(N)=O ZINC001449024060 929531707 /nfs/dbraw/zinc/53/17/07/929531707.db2.gz WZNNIBACYMRWDW-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCNC(N)=O ZINC001449024074 929533753 /nfs/dbraw/zinc/53/37/53/929533753.db2.gz WZNNIBACYMRWDW-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001449081426 929535426 /nfs/dbraw/zinc/53/54/26/929535426.db2.gz NMGXTLKURYXXBR-SECBINFHSA-N 1 1 308.342 -1.002 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncn1C ZINC001449095232 929536959 /nfs/dbraw/zinc/53/69/59/929536959.db2.gz UIZYGGLCWZSMEL-KOLCDFICSA-N 1 1 312.374 -1.751 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)CS(C)(=O)=O ZINC001449090208 929537554 /nfs/dbraw/zinc/53/75/54/929537554.db2.gz DCNXBWIDABHYHI-MRVPVSSYSA-N 1 1 322.412 -1.508 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)on1 ZINC001449096779 929539000 /nfs/dbraw/zinc/53/90/00/929539000.db2.gz WGCKFUBIQDFGGC-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnns1 ZINC001449097075 929539304 /nfs/dbraw/zinc/53/93/04/929539304.db2.gz SIEDHXSFDQMQHU-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ccnn1C ZINC001449103029 929539555 /nfs/dbraw/zinc/53/95/55/929539555.db2.gz AUMOVTRUBFXQAP-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001449102907 929539896 /nfs/dbraw/zinc/53/98/96/929539896.db2.gz AAEMFUIBPHIQTR-LLVKDONJSA-N 1 1 312.374 -1.750 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cn(C)nn2)[nH]1 ZINC001449113732 929541139 /nfs/dbraw/zinc/54/11/39/929541139.db2.gz CPVJALGIIKCRKX-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nncs1 ZINC001449112769 929541980 /nfs/dbraw/zinc/54/19/80/929541980.db2.gz GNLUYPMJVBSDJR-JTQLQIEISA-N 1 1 315.399 -1.075 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1COCCO1 ZINC001449109223 929541999 /nfs/dbraw/zinc/54/19/99/929541999.db2.gz CMZAEYUSIQLYHZ-UWVGGRQHSA-N 1 1 314.346 -2.466 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)[C@H]1CCC(=O)N1 ZINC001449119898 929543550 /nfs/dbraw/zinc/54/35/50/929543550.db2.gz VGKYOVQPVNQCGH-RKDXNWHRSA-N 1 1 313.383 -1.274 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001449120339 929545087 /nfs/dbraw/zinc/54/50/87/929545087.db2.gz VENUSOVNMKQIPQ-UWVGGRQHSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)Cn1cccn1 ZINC001449124086 929545824 /nfs/dbraw/zinc/54/58/24/929545824.db2.gz RUCGJSADMTUJDF-LLVKDONJSA-N 1 1 307.358 -1.379 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CN(C)C(=O)Cn2ncnn2)oc1C ZINC001449126173 929546186 /nfs/dbraw/zinc/54/61/86/929546186.db2.gz OBIFOUXNNSLVLF-NSHDSACASA-N 1 1 323.357 -1.113 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC(C)(C)O)c1nnnn1C ZINC001449128269 929546387 /nfs/dbraw/zinc/54/63/87/929546387.db2.gz UYKCSGOXCZZIQS-ZJUUUORDSA-N 1 1 314.390 -1.159 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC(C)(C)O)c1nnnn1C ZINC001449128256 929546438 /nfs/dbraw/zinc/54/64/38/929546438.db2.gz UYKCSGOXCZZIQS-UWVGGRQHSA-N 1 1 314.390 -1.159 20 0 DAADMO CCn1ccnc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001449129108 929546826 /nfs/dbraw/zinc/54/68/26/929546826.db2.gz WLVSIQMYAMRGHQ-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]2CCNC2=O)[nH]1 ZINC001449132647 929548196 /nfs/dbraw/zinc/54/81/96/929548196.db2.gz DPMQTVPQJGAWQR-WDEREUQCSA-N 1 1 324.385 -1.452 20 0 DAADMO C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1)NC(N)=O ZINC001449135455 929548705 /nfs/dbraw/zinc/54/87/05/929548705.db2.gz ZZUZAYAXHWZQPO-MNOVXSKESA-N 1 1 324.385 -1.168 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449130066 929549111 /nfs/dbraw/zinc/54/91/11/929549111.db2.gz BSYWBARJZGOEPS-SNVBAGLBSA-N 1 1 313.362 -2.347 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)c1c[nH]c(=O)cn1 ZINC001449138976 929550945 /nfs/dbraw/zinc/55/09/45/929550945.db2.gz NIGMNLVGYJWTSW-MRVPVSSYSA-N 1 1 324.366 -1.156 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001449141489 929551257 /nfs/dbraw/zinc/55/12/57/929551257.db2.gz WBHBNZMSZYXWMS-BDAKNGLRSA-N 1 1 311.346 -2.297 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001449143278 929551338 /nfs/dbraw/zinc/55/13/38/929551338.db2.gz FHBGNOQCTKJECU-SECBINFHSA-N 1 1 310.314 -1.269 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)c1cc2n(n1)CCO2 ZINC001449143938 929552915 /nfs/dbraw/zinc/55/29/15/929552915.db2.gz VJULFYYRCHGRHC-JTQLQIEISA-N 1 1 322.325 -1.119 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001449150586 929553379 /nfs/dbraw/zinc/55/33/79/929553379.db2.gz LAABZXHVHIMQGR-CBAPKCEASA-N 1 1 323.361 -1.580 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cncn1C ZINC001449145693 929554223 /nfs/dbraw/zinc/55/42/23/929554223.db2.gz QIOZECQIMAPMQL-NSHDSACASA-N 1 1 307.358 -1.229 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CCn2cnnn2)C1 ZINC001449150923 929555394 /nfs/dbraw/zinc/55/53/94/929555394.db2.gz HCLXBOZLXCBRJM-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001449154392 929556361 /nfs/dbraw/zinc/55/63/61/929556361.db2.gz BMGCJEPPQHASGW-ZJUUUORDSA-N 1 1 311.386 -1.030 20 0 DAADMO Cc1conc1C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001449165822 929557859 /nfs/dbraw/zinc/55/78/59/929557859.db2.gz OPUAUAXIYFJMEK-LLVKDONJSA-N 1 1 323.357 -1.031 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccncn1)c1nnnn1C ZINC001449158679 929557906 /nfs/dbraw/zinc/55/79/06/929557906.db2.gz FEXWGSOQZFDZHX-VHSXEESVSA-N 1 1 320.357 -1.216 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001449166434 929558715 /nfs/dbraw/zinc/55/87/15/929558715.db2.gz XACOCFJNGQWVDV-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CC1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001449161704 929559152 /nfs/dbraw/zinc/55/91/52/929559152.db2.gz JQXMZJOJGPRMHE-GFCCVEGCSA-N 1 1 300.403 -1.388 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001449165384 929559314 /nfs/dbraw/zinc/55/93/14/929559314.db2.gz VJDRNPTWCHRKPC-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001449166436 929559362 /nfs/dbraw/zinc/55/93/62/929559362.db2.gz XACOCFJNGQWVDV-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001449166515 929559408 /nfs/dbraw/zinc/55/94/08/929559408.db2.gz ZDYFNYOINLZEGU-AXFHLTTASA-N 1 1 307.354 -1.493 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ncccc1F ZINC001449170819 929561004 /nfs/dbraw/zinc/56/10/04/929561004.db2.gz ZQEWAOVCPVBCKL-VIFPVBQESA-N 1 1 323.332 -1.033 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001449170364 929561375 /nfs/dbraw/zinc/56/13/75/929561375.db2.gz JIDCXUKYQVKIJV-LLVKDONJSA-N 1 1 321.385 -1.002 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCNS(C)(=O)=O)C(=O)C1CC1 ZINC001449171746 929561732 /nfs/dbraw/zinc/56/17/32/929561732.db2.gz BKRCJYOSYMTYFX-NSHDSACASA-N 1 1 307.416 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O)C(=O)C1CC1 ZINC001449171746 929561742 /nfs/dbraw/zinc/56/17/42/929561742.db2.gz BKRCJYOSYMTYFX-NSHDSACASA-N 1 1 307.416 -1.303 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccnn1C ZINC001449191624 929562371 /nfs/dbraw/zinc/56/23/71/929562371.db2.gz OYPCSCJSXJICOJ-CYBMUJFWSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccnn1C ZINC001449191624 929562381 /nfs/dbraw/zinc/56/23/81/929562381.db2.gz OYPCSCJSXJICOJ-CYBMUJFWSA-N 1 1 311.386 -1.193 20 0 DAADMO CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001449184014 929562417 /nfs/dbraw/zinc/56/24/17/929562417.db2.gz CLZLMSNODCSFLI-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1ccc[nH]1 ZINC001449184971 929562693 /nfs/dbraw/zinc/56/26/93/929562693.db2.gz KFBKPNLJIAMEKF-LLVKDONJSA-N 1 1 307.358 -1.310 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCn1cncn1 ZINC001449182207 929562784 /nfs/dbraw/zinc/56/27/84/929562784.db2.gz BOUKDSGPDRCWCQ-LBPRGKRZSA-N 1 1 312.374 -1.835 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001449186947 929562951 /nfs/dbraw/zinc/56/29/51/929562951.db2.gz JNHBRYWOFLOSPR-GXTWGEPZSA-N 1 1 315.414 -1.013 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001449186947 929562956 /nfs/dbraw/zinc/56/29/56/929562956.db2.gz JNHBRYWOFLOSPR-GXTWGEPZSA-N 1 1 315.414 -1.013 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001449184012 929563402 /nfs/dbraw/zinc/56/34/02/929563402.db2.gz CLZLMSNODCSFLI-JTQLQIEISA-N 1 1 312.374 -1.462 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188670 929563600 /nfs/dbraw/zinc/56/36/00/929563600.db2.gz NIOCXEADCJMENN-UWVGGRQHSA-N 1 1 312.374 -1.638 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188670 929563606 /nfs/dbraw/zinc/56/36/06/929563606.db2.gz NIOCXEADCJMENN-UWVGGRQHSA-N 1 1 312.374 -1.638 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449190876 929563901 /nfs/dbraw/zinc/56/39/01/929563901.db2.gz MYIGDKIKTXWBSR-GHMZBOCLSA-N 1 1 300.363 -1.541 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188672 929564027 /nfs/dbraw/zinc/56/40/27/929564027.db2.gz NIOCXEADCJMENN-VHSXEESVSA-N 1 1 312.374 -1.638 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001449188672 929564034 /nfs/dbraw/zinc/56/40/34/929564034.db2.gz NIOCXEADCJMENN-VHSXEESVSA-N 1 1 312.374 -1.638 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449190883 929564430 /nfs/dbraw/zinc/56/44/30/929564430.db2.gz MYIGDKIKTXWBSR-WDEREUQCSA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCOCC1=O ZINC001449191681 929564452 /nfs/dbraw/zinc/56/44/52/929564452.db2.gz BRHIYZUEQPXKAQ-LBPRGKRZSA-N 1 1 317.386 -2.021 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200609 929565408 /nfs/dbraw/zinc/56/54/08/929565408.db2.gz ZXAGOTRNEVXFMH-MWLCHTKSSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200609 929565413 /nfs/dbraw/zinc/56/54/13/929565413.db2.gz ZXAGOTRNEVXFMH-MWLCHTKSSA-N 1 1 302.375 -1.992 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001449194976 929565460 /nfs/dbraw/zinc/56/54/60/929565460.db2.gz FTQGANMBUWCGGA-GHMZBOCLSA-N 1 1 312.370 -1.474 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200340 929565476 /nfs/dbraw/zinc/56/54/76/929565476.db2.gz ZKKBBMFQRQDRCN-GHMZBOCLSA-N 1 1 314.386 -1.766 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200340 929565479 /nfs/dbraw/zinc/56/54/79/929565479.db2.gz ZKKBBMFQRQDRCN-GHMZBOCLSA-N 1 1 314.386 -1.766 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n(C)n1 ZINC001449200435 929565500 /nfs/dbraw/zinc/56/55/00/929565500.db2.gz OHFIJRLGWFBWJK-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200607 929566017 /nfs/dbraw/zinc/56/60/17/929566017.db2.gz ZXAGOTRNEVXFMH-KOLCDFICSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200607 929566025 /nfs/dbraw/zinc/56/60/25/929566025.db2.gz ZXAGOTRNEVXFMH-KOLCDFICSA-N 1 1 302.375 -1.992 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001449194995 929566241 /nfs/dbraw/zinc/56/62/41/929566241.db2.gz FTQGANMBUWCGGA-WDEREUQCSA-N 1 1 312.370 -1.474 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200613 929566709 /nfs/dbraw/zinc/56/67/09/929566709.db2.gz ZXAGOTRNEVXFMH-ONGXEEELSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001449200613 929566720 /nfs/dbraw/zinc/56/67/20/929566720.db2.gz ZXAGOTRNEVXFMH-ONGXEEELSA-N 1 1 302.375 -1.992 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n(C)n1 ZINC001449200438 929566994 /nfs/dbraw/zinc/56/69/94/929566994.db2.gz OHFIJRLGWFBWJK-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCNC(=O)C1 ZINC001449206985 929567969 /nfs/dbraw/zinc/56/79/69/929567969.db2.gz CJOQCMUBNIUQCE-GFCCVEGCSA-N 1 1 316.402 -2.448 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001449216327 929568035 /nfs/dbraw/zinc/56/80/35/929568035.db2.gz PONLUGUYBHZSEO-QWRGUYRKSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001449216327 929568045 /nfs/dbraw/zinc/56/80/45/929568045.db2.gz PONLUGUYBHZSEO-QWRGUYRKSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001449216327 929568051 /nfs/dbraw/zinc/56/80/51/929568051.db2.gz PONLUGUYBHZSEO-QWRGUYRKSA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001449216116 929568351 /nfs/dbraw/zinc/56/83/51/929568351.db2.gz PONLUGUYBHZSEO-MNOVXSKESA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001449216116 929568360 /nfs/dbraw/zinc/56/83/60/929568360.db2.gz PONLUGUYBHZSEO-MNOVXSKESA-N 1 1 315.374 -1.515 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001449216116 929568366 /nfs/dbraw/zinc/56/83/66/929568366.db2.gz PONLUGUYBHZSEO-MNOVXSKESA-N 1 1 315.374 -1.515 20 0 DAADMO Cc1nccc(CCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)n1 ZINC001449212727 929568631 /nfs/dbraw/zinc/56/86/31/929568631.db2.gz LOQJIAIEJOZAQM-ZDUSSCGKSA-N 1 1 323.397 -1.046 20 0 DAADMO Cc1nccc(CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)n1 ZINC001449212727 929568638 /nfs/dbraw/zinc/56/86/38/929568638.db2.gz LOQJIAIEJOZAQM-ZDUSSCGKSA-N 1 1 323.397 -1.046 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001449202674 929568904 /nfs/dbraw/zinc/56/89/04/929568904.db2.gz VWKNQQLMPHLPOG-VIFPVBQESA-N 1 1 311.342 -1.875 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001449202674 929568915 /nfs/dbraw/zinc/56/89/15/929568915.db2.gz VWKNQQLMPHLPOG-VIFPVBQESA-N 1 1 311.342 -1.875 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001449208999 929569238 /nfs/dbraw/zinc/56/92/38/929569238.db2.gz GPOIRAGVSPOVBD-WDEREUQCSA-N 1 1 324.385 -1.291 20 0 DAADMO CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202322 929570119 /nfs/dbraw/zinc/57/01/19/929570119.db2.gz RSFYJTIKZNGCTN-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449202322 929570125 /nfs/dbraw/zinc/57/01/25/929570125.db2.gz RSFYJTIKZNGCTN-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CNC(=O)N1 ZINC001449208181 929570460 /nfs/dbraw/zinc/57/04/60/929570460.db2.gz DGSHKMWYMDCWRV-RYUDHWBXSA-N 1 1 324.385 -1.647 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001449208377 929570515 /nfs/dbraw/zinc/57/05/15/929570515.db2.gz DRLHDNTWUCLQLJ-NMKXLXIOSA-N 1 1 313.398 -1.234 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001449208377 929570516 /nfs/dbraw/zinc/57/05/16/929570516.db2.gz DRLHDNTWUCLQLJ-NMKXLXIOSA-N 1 1 313.398 -1.234 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O)on1 ZINC001449203931 929570529 /nfs/dbraw/zinc/57/05/29/929570529.db2.gz SCBRFOAIBSHQPC-RKDXNWHRSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O)on1 ZINC001449203931 929570536 /nfs/dbraw/zinc/57/05/36/929570536.db2.gz SCBRFOAIBSHQPC-RKDXNWHRSA-N 1 1 314.342 -1.078 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CCC(=O)NC1=O ZINC001449238528 929571318 /nfs/dbraw/zinc/57/13/18/929571318.db2.gz MEOSNOCACUASQP-SNVBAGLBSA-N 1 1 300.359 -1.301 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449224645 929571383 /nfs/dbraw/zinc/57/13/83/929571383.db2.gz KPKPXGTTYBKYOQ-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449224645 929571391 /nfs/dbraw/zinc/57/13/91/929571391.db2.gz KPKPXGTTYBKYOQ-NSHDSACASA-N 1 1 311.386 -1.079 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233184 929571482 /nfs/dbraw/zinc/57/14/82/929571482.db2.gz WTSYDUCXFNILFD-ONGXEEELSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233184 929571492 /nfs/dbraw/zinc/57/14/92/929571492.db2.gz WTSYDUCXFNILFD-ONGXEEELSA-N 1 1 310.358 -1.600 20 0 DAADMO CCc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001449229098 929571608 /nfs/dbraw/zinc/57/16/08/929571608.db2.gz WLOLNMALQZDWCJ-JTQLQIEISA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001449229098 929571614 /nfs/dbraw/zinc/57/16/14/929571614.db2.gz WLOLNMALQZDWCJ-JTQLQIEISA-N 1 1 311.386 -1.168 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001449230628 929572509 /nfs/dbraw/zinc/57/25/09/929572509.db2.gz DRJRLVFEXDNRKB-NEPJUHHUSA-N 1 1 316.402 -1.073 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001449228507 929572598 /nfs/dbraw/zinc/57/25/98/929572598.db2.gz ABGLWTDFZPDWBB-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001449239772 929572918 /nfs/dbraw/zinc/57/29/18/929572918.db2.gz ZKKSAXMJNINNMJ-GFCCVEGCSA-N 1 1 302.419 -1.176 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449220922 929573079 /nfs/dbraw/zinc/57/30/79/929573079.db2.gz XPJHAOZJFQMPOS-BDAKNGLRSA-N 1 1 301.347 -2.754 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001449220922 929573085 /nfs/dbraw/zinc/57/30/85/929573085.db2.gz XPJHAOZJFQMPOS-BDAKNGLRSA-N 1 1 301.347 -2.754 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001449234250 929573108 /nfs/dbraw/zinc/57/31/08/929573108.db2.gz XGXGXCWAGGZUMI-QWHCGFSZSA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCNC(=O)C1CC1)C(=O)c1cn[nH]n1 ZINC001449226622 929573398 /nfs/dbraw/zinc/57/33/98/929573398.db2.gz MOWCOTRLLYAHOM-NSHDSACASA-N 1 1 324.385 -1.304 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001449226957 929573668 /nfs/dbraw/zinc/57/36/68/929573668.db2.gz RWKOJTQGEPBMDA-LLVKDONJSA-N 1 1 315.374 -2.021 20 0 DAADMO CCc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001449229107 929573893 /nfs/dbraw/zinc/57/38/93/929573893.db2.gz WLOLNMALQZDWCJ-SNVBAGLBSA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001449229107 929573898 /nfs/dbraw/zinc/57/38/98/929573898.db2.gz WLOLNMALQZDWCJ-SNVBAGLBSA-N 1 1 311.386 -1.168 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC ZINC001449232068 929574176 /nfs/dbraw/zinc/57/41/76/929574176.db2.gz NEOBJMPACKBKJO-NEPJUHHUSA-N 1 1 316.402 -1.602 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC ZINC001449232068 929574187 /nfs/dbraw/zinc/57/41/87/929574187.db2.gz NEOBJMPACKBKJO-NEPJUHHUSA-N 1 1 316.402 -1.602 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1cncn1 ZINC001449246320 929575731 /nfs/dbraw/zinc/57/57/31/929575731.db2.gz QASQPOUKXPHRJW-CYBMUJFWSA-N 1 1 321.385 -1.037 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1cncn1 ZINC001449246320 929575737 /nfs/dbraw/zinc/57/57/37/929575737.db2.gz QASQPOUKXPHRJW-CYBMUJFWSA-N 1 1 321.385 -1.037 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1cnn(C)c1)[C@@H]1CCNC1=O ZINC001449325123 929577630 /nfs/dbraw/zinc/57/76/30/929577630.db2.gz LEBCANWYHRFRRU-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1cnn(C)c1)[C@@H]1CCNC1=O ZINC001449325123 929577639 /nfs/dbraw/zinc/57/76/39/929577639.db2.gz LEBCANWYHRFRRU-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCN(C)C1=O ZINC001449326291 929579740 /nfs/dbraw/zinc/57/97/40/929579740.db2.gz HHSDJFHMIZMNJU-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@H]1CCN(C)C1=O ZINC001449326291 929579752 /nfs/dbraw/zinc/57/97/52/929579752.db2.gz HHSDJFHMIZMNJU-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001449352447 929583078 /nfs/dbraw/zinc/58/30/78/929583078.db2.gz VSIBOQZBLCNXQF-XJKSGUPXSA-N 1 1 321.377 -1.024 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)CNC(N)=O ZINC001449586637 929590261 /nfs/dbraw/zinc/59/02/61/929590261.db2.gz WFHNAWYJGBNUCI-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001449857275 929598792 /nfs/dbraw/zinc/59/87/92/929598792.db2.gz HTGBVQVFUUYYEP-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001449857275 929598801 /nfs/dbraw/zinc/59/88/01/929598801.db2.gz HTGBVQVFUUYYEP-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865166 929599205 /nfs/dbraw/zinc/59/92/05/929599205.db2.gz XTVBTCHCYFPVQD-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1ncn(C)n1 ZINC001449865166 929599220 /nfs/dbraw/zinc/59/92/20/929599220.db2.gz XTVBTCHCYFPVQD-QWRGUYRKSA-N 1 1 324.385 -1.278 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001450026003 929602283 /nfs/dbraw/zinc/60/22/83/929602283.db2.gz DRFAFOXABZUNRO-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001450026018 929603186 /nfs/dbraw/zinc/60/31/86/929603186.db2.gz DRFAFOXABZUNRO-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001450330108 929622832 /nfs/dbraw/zinc/62/28/32/929622832.db2.gz NVLYXWDGQRSFRG-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001450330108 929622839 /nfs/dbraw/zinc/62/28/39/929622839.db2.gz NVLYXWDGQRSFRG-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001450330119 929622967 /nfs/dbraw/zinc/62/29/67/929622967.db2.gz NVLYXWDGQRSFRG-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CCn3ccnn3)C2)C1 ZINC001450330119 929622983 /nfs/dbraw/zinc/62/29/83/929622983.db2.gz NVLYXWDGQRSFRG-LBPRGKRZSA-N 1 1 322.369 -1.674 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001450345729 929624920 /nfs/dbraw/zinc/62/49/20/929624920.db2.gz GMSWVWJAIWWDLJ-SECBINFHSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@@H](NC(=O)Cc1cnc[nH]1)C1CN(C(=O)CCNC(N)=O)C1 ZINC001450390155 929627652 /nfs/dbraw/zinc/62/76/52/929627652.db2.gz GBVLVHLCOAYWCS-SECBINFHSA-N 1 1 322.369 -1.026 20 0 DAADMO CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001513433987 929631152 /nfs/dbraw/zinc/63/11/52/929631152.db2.gz IINQBXMUTGPOLX-GHMZBOCLSA-N 1 1 324.385 -1.359 20 0 DAADMO C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001513593454 929641229 /nfs/dbraw/zinc/64/12/29/929641229.db2.gz LMBQJVVVUDQUND-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001513593454 929641247 /nfs/dbraw/zinc/64/12/47/929641247.db2.gz LMBQJVVVUDQUND-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO Cc1cc(C(=O)N2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n[nH]1 ZINC001513667902 929642673 /nfs/dbraw/zinc/64/26/73/929642673.db2.gz ZAXINFWDZFGIGB-NEPJUHHUSA-N 1 1 309.370 -1.029 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)C1=O ZINC001518896415 929652894 /nfs/dbraw/zinc/65/28/94/929652894.db2.gz CZSJZTGZZYVDOE-IVZWLZJFSA-N 1 1 308.338 -1.137 20 0 DAADMO COCCNC(=O)C1(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001520231205 929654056 /nfs/dbraw/zinc/65/40/56/929654056.db2.gz KFXPKUWDOCULQS-RYUDHWBXSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCNC(=O)C1(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001520231207 929654785 /nfs/dbraw/zinc/65/47/85/929654785.db2.gz KFXPKUWDOCULQS-VXGBXAGGSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCNC(=O)C1(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001520231196 929655255 /nfs/dbraw/zinc/65/52/55/929655255.db2.gz KFXPKUWDOCULQS-NEPJUHHUSA-N 1 1 310.398 -1.214 20 0 DAADMO COCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001521356027 929656900 /nfs/dbraw/zinc/65/69/00/929656900.db2.gz JLEBJPCOGWCMKL-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO COCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001521356029 929657273 /nfs/dbraw/zinc/65/72/73/929657273.db2.gz JLEBJPCOGWCMKL-NWDGAFQWSA-N 1 1 310.354 -1.084 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(N)=O ZINC001522253193 929667336 /nfs/dbraw/zinc/66/73/36/929667336.db2.gz VGTLCMPTQRPNQT-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO Cc1cnc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001522498135 929672458 /nfs/dbraw/zinc/67/24/58/929672458.db2.gz HOSLRXOYLNPPOC-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1cnc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001522498135 929672465 /nfs/dbraw/zinc/67/24/65/929672465.db2.gz HOSLRXOYLNPPOC-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522502526 929672759 /nfs/dbraw/zinc/67/27/59/929672759.db2.gz IXXHZVYWVHIQLD-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522502526 929672761 /nfs/dbraw/zinc/67/27/61/929672761.db2.gz IXXHZVYWVHIQLD-GXSJLCMTSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522502529 929672788 /nfs/dbraw/zinc/67/27/88/929672788.db2.gz IXXHZVYWVHIQLD-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522502529 929672797 /nfs/dbraw/zinc/67/27/97/929672797.db2.gz IXXHZVYWVHIQLD-ONGXEEELSA-N 1 1 300.359 -1.926 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCCNC(=O)Cn2cnnn2)no1 ZINC001522509242 929673421 /nfs/dbraw/zinc/67/34/21/929673421.db2.gz IDRDVKRZNAHASB-UHFFFAOYSA-N 1 1 322.329 -1.731 20 0 DAADMO COC(=O)NCC(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001522528580 929675754 /nfs/dbraw/zinc/67/57/54/929675754.db2.gz JJPYOCUTMADCJF-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO Cn1ncnc1COCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001522555745 929679611 /nfs/dbraw/zinc/67/96/11/929679611.db2.gz FVLFTDVSDROLCT-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO Cn1ncnc1COCC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001522555741 929680614 /nfs/dbraw/zinc/68/06/14/929680614.db2.gz FVLFTDVSDROLCT-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CO[C@@H]2CCOC2)C1 ZINC001522572187 929681667 /nfs/dbraw/zinc/68/16/67/929681667.db2.gz YBFVQEUMVDICAG-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CO[C@@H]2CCOC2)C1 ZINC001522572187 929681678 /nfs/dbraw/zinc/68/16/78/929681678.db2.gz YBFVQEUMVDICAG-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C(=O)NCC2CC2)C1 ZINC001522568955 929681928 /nfs/dbraw/zinc/68/19/28/929681928.db2.gz QMCJBCXSILIPJT-NSHDSACASA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)C(=O)NCC2CC2)C1 ZINC001522568955 929681933 /nfs/dbraw/zinc/68/19/33/929681933.db2.gz QMCJBCXSILIPJT-NSHDSACASA-N 1 1 312.370 -1.924 20 0 DAADMO CNC(=O)CCCC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522567346 929682107 /nfs/dbraw/zinc/68/21/07/929682107.db2.gz HOAWOQIDANMMNY-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)CCCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522567346 929682115 /nfs/dbraw/zinc/68/21/15/929682115.db2.gz HOAWOQIDANMMNY-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)c1nccnc1C(N)=O ZINC001522626873 929689089 /nfs/dbraw/zinc/68/90/89/929689089.db2.gz MIKVAUZZICUNHI-SECBINFHSA-N 1 1 320.353 -1.484 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2cccnc2C(N)=O)C1 ZINC001522651462 929689713 /nfs/dbraw/zinc/68/97/13/929689713.db2.gz BQYCRFYJOXIBPF-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001522658048 929689820 /nfs/dbraw/zinc/68/98/20/929689820.db2.gz VPFTUPAGVQPFLN-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)[C@]1(C)CCNC1=O ZINC001522655635 929689999 /nfs/dbraw/zinc/68/99/99/929689999.db2.gz WISVTSGAEMQOPE-CQSZACIVSA-N 1 1 307.354 -1.050 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001522674987 929692114 /nfs/dbraw/zinc/69/21/14/929692114.db2.gz LSQKWQMKRAEJRN-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001522674987 929692121 /nfs/dbraw/zinc/69/21/21/929692121.db2.gz LSQKWQMKRAEJRN-QWRGUYRKSA-N 1 1 314.386 -1.549 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1C ZINC001522675486 929692210 /nfs/dbraw/zinc/69/22/10/929692210.db2.gz WSYSDTDWYUNFCK-HBNTYKKESA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCS(C)(=O)=O)C1 ZINC001522740266 929697822 /nfs/dbraw/zinc/69/78/22/929697822.db2.gz FFANCBNFJHMLFM-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCS(C)(=O)=O)C1 ZINC001522740268 929697979 /nfs/dbraw/zinc/69/79/79/929697979.db2.gz FFANCBNFJHMLFM-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)CN1CC(=O)NC1=O ZINC001522760501 929699029 /nfs/dbraw/zinc/69/90/29/929699029.db2.gz QOLYJCJCVDPPRN-UHFFFAOYSA-N 1 1 322.325 -2.024 20 0 DAADMO Cn1nc(C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)ccc1=O ZINC001522784291 929702530 /nfs/dbraw/zinc/70/25/30/929702530.db2.gz LDTDECLRLAVJRQ-LLVKDONJSA-N 1 1 307.354 -1.280 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)Cn2cccn2)C1 ZINC001522836002 929706481 /nfs/dbraw/zinc/70/64/81/929706481.db2.gz CWKNGJYUYRDTKY-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)Cn2cccn2)C1 ZINC001522836002 929706492 /nfs/dbraw/zinc/70/64/92/929706492.db2.gz CWKNGJYUYRDTKY-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522869629 929707401 /nfs/dbraw/zinc/70/74/01/929707401.db2.gz JMLICIZIPWGMEK-WDEREUQCSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522869629 929707404 /nfs/dbraw/zinc/70/74/04/929707404.db2.gz JMLICIZIPWGMEK-WDEREUQCSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522869617 929708496 /nfs/dbraw/zinc/70/84/96/929708496.db2.gz JMLICIZIPWGMEK-GHMZBOCLSA-N 1 1 312.370 -1.924 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522869617 929708502 /nfs/dbraw/zinc/70/85/02/929708502.db2.gz JMLICIZIPWGMEK-GHMZBOCLSA-N 1 1 312.370 -1.924 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)[C@H](C)NC(N)=O ZINC001522892218 929709003 /nfs/dbraw/zinc/70/90/03/929709003.db2.gz RLOMXHBHUDZNME-JTQLQIEISA-N 1 1 310.358 -1.129 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001522872283 929709118 /nfs/dbraw/zinc/70/91/18/929709118.db2.gz XFKIMFMEFRDCND-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CN1CCO[C@H](C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001522872280 929709300 /nfs/dbraw/zinc/70/93/00/929709300.db2.gz XFKIMFMEFRDCND-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cnn(CC(=O)NCCCCC[NH+]2CCNCC2)c1=O ZINC001522932620 929711658 /nfs/dbraw/zinc/71/16/58/929711658.db2.gz RQGRIGOPVIMHJC-UHFFFAOYSA-N 1 1 310.402 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001522968746 929713676 /nfs/dbraw/zinc/71/36/76/929713676.db2.gz VMOQXNHBCOJJHU-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001523199992 929721313 /nfs/dbraw/zinc/72/13/13/929721313.db2.gz ADZVHTMJGTUHNF-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001523199992 929721316 /nfs/dbraw/zinc/72/13/16/929721316.db2.gz ADZVHTMJGTUHNF-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CN(CCCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001523713575 929729072 /nfs/dbraw/zinc/72/90/72/929729072.db2.gz FNTHICLIIKDAGQ-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO CN(CCCNC(=O)CC[NH+]1CCOCC1)C(=O)C(N)=O ZINC001523614829 929729368 /nfs/dbraw/zinc/72/93/68/929729368.db2.gz SCDKXDBJIDRFOE-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](CCCNC(=O)COC)CC1 ZINC001524041001 929733630 /nfs/dbraw/zinc/73/36/30/929733630.db2.gz MPGXEKSVLYPOBW-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001525079983 929752130 /nfs/dbraw/zinc/75/21/30/929752130.db2.gz ZVFSHRQEUUFGIU-GMTAPVOTSA-N 1 1 311.386 -1.229 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001525485922 929756152 /nfs/dbraw/zinc/75/61/52/929756152.db2.gz QLAIAKBKCGRVSU-PHIMTYICSA-N 1 1 309.374 -1.223 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001526472087 929764379 /nfs/dbraw/zinc/76/43/79/929764379.db2.gz AHHIDWXJSUXCSJ-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001526472087 929764384 /nfs/dbraw/zinc/76/43/84/929764384.db2.gz AHHIDWXJSUXCSJ-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001526597801 929765412 /nfs/dbraw/zinc/76/54/12/929765412.db2.gz ZQXKRMRJRIMHGK-PSASIEDQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001527502032 929779999 /nfs/dbraw/zinc/77/99/99/929779999.db2.gz PBOMIDJZMDNSSG-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001527502032 929780005 /nfs/dbraw/zinc/78/00/05/929780005.db2.gz PBOMIDJZMDNSSG-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CN(CCNC(=O)C1=COCCO1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001527886952 929785682 /nfs/dbraw/zinc/78/56/82/929785682.db2.gz LHKFFBGCRVGDDF-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)C1=COCCO1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001527886952 929785689 /nfs/dbraw/zinc/78/56/89/929785689.db2.gz LHKFFBGCRVGDDF-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001527928650 929786125 /nfs/dbraw/zinc/78/61/25/929786125.db2.gz OVUHYJYTRAQVQT-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001527928650 929786136 /nfs/dbraw/zinc/78/61/36/929786136.db2.gz OVUHYJYTRAQVQT-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)C1=COCCO1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001527886954 929786236 /nfs/dbraw/zinc/78/62/36/929786236.db2.gz LHKFFBGCRVGDDF-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)C1=COCCO1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001527886954 929786244 /nfs/dbraw/zinc/78/62/44/929786244.db2.gz LHKFFBGCRVGDDF-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)CC(N)=O)C1 ZINC001528001591 929789131 /nfs/dbraw/zinc/78/91/31/929789131.db2.gz CIIACORPSWTUFK-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO CCC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528004266 929790941 /nfs/dbraw/zinc/79/09/41/929790941.db2.gz MBCNKLNXJKGNHX-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528004266 929790958 /nfs/dbraw/zinc/79/09/58/929790958.db2.gz MBCNKLNXJKGNHX-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001528176801 929796898 /nfs/dbraw/zinc/79/68/98/929796898.db2.gz WKYROEOWFIBVDX-MNOVXSKESA-N 1 1 307.354 -1.112 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001528269207 929801764 /nfs/dbraw/zinc/80/17/64/929801764.db2.gz YLNVXGIDLZOJTG-LLVKDONJSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001528364107 929803280 /nfs/dbraw/zinc/80/32/80/929803280.db2.gz UPLZHRSFXHZDAQ-JRPNMDOOSA-N 1 1 321.381 -1.425 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001528364111 929803539 /nfs/dbraw/zinc/80/35/39/929803539.db2.gz UPLZHRSFXHZDAQ-ZETOZRRWSA-N 1 1 321.381 -1.425 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001528420249 929807565 /nfs/dbraw/zinc/80/75/65/929807565.db2.gz UZTHWCGERKXKTH-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001528496015 929809249 /nfs/dbraw/zinc/80/92/49/929809249.db2.gz SVTMMWFHJWRTIE-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001528583188 929811750 /nfs/dbraw/zinc/81/17/50/929811750.db2.gz FBXFBVVUJUVNDX-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001528582709 929812608 /nfs/dbraw/zinc/81/26/08/929812608.db2.gz ARAHGILOHVKLMT-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CCn2cnnn2)C1 ZINC001528665907 929813302 /nfs/dbraw/zinc/81/33/02/929813302.db2.gz HUEIIMZRXRWDNE-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001529159289 929826365 /nfs/dbraw/zinc/82/63/65/929826365.db2.gz FGFIBYAWIMGQCH-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)CNC(N)=O)C1CC1 ZINC001529721634 929830120 /nfs/dbraw/zinc/83/01/20/929830120.db2.gz HKPDYLBNCFJUDH-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NCCN(C(=O)C(N)=O)C2CC2)no1 ZINC001529796096 929831804 /nfs/dbraw/zinc/83/18/04/929831804.db2.gz MPRRNXAHUNUATA-UHFFFAOYSA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001530368819 929841287 /nfs/dbraw/zinc/84/12/87/929841287.db2.gz XAIOFJYXIRIWPT-JTQLQIEISA-N 1 1 317.411 -1.300 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)CC2 ZINC001530387369 929843205 /nfs/dbraw/zinc/84/32/05/929843205.db2.gz OBOKYZGEYDAEOZ-JTQLQIEISA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)CCn2cnnn2)C1)C1CCC1 ZINC001530602070 929858784 /nfs/dbraw/zinc/85/87/84/929858784.db2.gz KYOSFCAGYSKTKF-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126221 929880791 /nfs/dbraw/zinc/88/07/91/929880791.db2.gz CHIOZLFJEDWIBN-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001531126221 929880803 /nfs/dbraw/zinc/88/08/03/929880803.db2.gz CHIOZLFJEDWIBN-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231005 929881438 /nfs/dbraw/zinc/88/14/38/929881438.db2.gz IKAMFQCWZAFUMJ-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)NC(=O)C(N)=O ZINC001531231005 929881450 /nfs/dbraw/zinc/88/14/50/929881450.db2.gz IKAMFQCWZAFUMJ-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CC[C@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001531320642 929882913 /nfs/dbraw/zinc/88/29/13/929882913.db2.gz MEVWAUVWMRJHDZ-GHMZBOCLSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)CNC(=O)CC(N)=O ZINC001532158869 929892070 /nfs/dbraw/zinc/89/20/70/929892070.db2.gz GGIBYJKGZQHGHS-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNC(=O)C(N)=O)C1 ZINC001532255797 929893688 /nfs/dbraw/zinc/89/36/88/929893688.db2.gz TWTFULXDYNJZDF-VHSXEESVSA-N 1 1 300.359 -1.939 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNC(=O)C(N)=O)C1 ZINC001532255797 929893690 /nfs/dbraw/zinc/89/36/90/929893690.db2.gz TWTFULXDYNJZDF-VHSXEESVSA-N 1 1 300.359 -1.939 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001532300254 929896302 /nfs/dbraw/zinc/89/63/02/929896302.db2.gz PNWKLZRDTIKONA-MWLCHTKSSA-N 1 1 322.369 -1.259 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001532741866 929898223 /nfs/dbraw/zinc/89/82/23/929898223.db2.gz OICHMWKHFFSJLI-WDEREUQCSA-N 1 1 313.402 -1.137 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001532741864 929898879 /nfs/dbraw/zinc/89/88/79/929898879.db2.gz OICHMWKHFFSJLI-QWRGUYRKSA-N 1 1 313.402 -1.137 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001533168267 929912172 /nfs/dbraw/zinc/91/21/72/929912172.db2.gz OFKXASBQPKRVBB-NSHDSACASA-N 1 1 324.337 -1.327 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173841 929914115 /nfs/dbraw/zinc/91/41/15/929914115.db2.gz CICJQNGFCSPSKF-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173841 929914121 /nfs/dbraw/zinc/91/41/21/929914121.db2.gz CICJQNGFCSPSKF-RYUDHWBXSA-N 1 1 311.338 -1.183 20 0 DAADMO COCCCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533191284 929918475 /nfs/dbraw/zinc/91/84/75/929918475.db2.gz IHVZXHSXBCDIOC-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001533203376 929923430 /nfs/dbraw/zinc/92/34/30/929923430.db2.gz QXFYIQHYTJJHJA-CHWSQXEVSA-N 1 1 323.397 -1.492 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001533207916 929924146 /nfs/dbraw/zinc/92/41/46/929924146.db2.gz MEUOQXWBXXQGKD-UWVGGRQHSA-N 1 1 312.370 -2.061 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001533208441 929924805 /nfs/dbraw/zinc/92/48/05/929924805.db2.gz OSKGREPDNCLHPO-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1nccn1 ZINC001533207962 929925136 /nfs/dbraw/zinc/92/51/36/929925136.db2.gz MRQLXMZEWJLMLI-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001533209851 929925891 /nfs/dbraw/zinc/92/58/91/929925891.db2.gz ZTAFZKWVRJUJEX-SCZZXKLOSA-N 1 1 313.333 -1.150 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001533231290 929929339 /nfs/dbraw/zinc/92/93/39/929929339.db2.gz YROWONNDPWWWLT-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccn(C)n2)CC[N@H+]1C ZINC001533267011 929936859 /nfs/dbraw/zinc/93/68/59/929936859.db2.gz LYJRIAPJGAKYKO-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001533265606 929937110 /nfs/dbraw/zinc/93/71/10/929937110.db2.gz DXQLKCMLRQZUBT-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001533268057 929937124 /nfs/dbraw/zinc/93/71/24/929937124.db2.gz RHDAOORUTKFXTI-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001533268788 929937513 /nfs/dbraw/zinc/93/75/13/929937513.db2.gz WOKXQIQALNUNRU-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001533265605 929937642 /nfs/dbraw/zinc/93/76/42/929937642.db2.gz DXQLKCMLRQZUBT-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001533265660 929937797 /nfs/dbraw/zinc/93/77/97/929937797.db2.gz WNCXCNFRUCCDMN-VIFPVBQESA-N 1 1 311.342 -1.915 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001533277791 929939195 /nfs/dbraw/zinc/93/91/95/929939195.db2.gz BYKKZMAGLWKRTM-LLVKDONJSA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001533294149 929940755 /nfs/dbraw/zinc/94/07/55/929940755.db2.gz WEXCTPAIRYIDGA-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001533296764 929941162 /nfs/dbraw/zinc/94/11/62/929941162.db2.gz CNUXUSGDZYCQFS-LLVKDONJSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001533310692 929944007 /nfs/dbraw/zinc/94/40/07/929944007.db2.gz YFQZRKRETWSJQP-OUAUKWLOSA-N 1 1 312.370 -2.048 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)Cn2cnnn2)C1 ZINC001533370231 929947025 /nfs/dbraw/zinc/94/70/25/929947025.db2.gz VLIFMHIBFDUCGX-QUCGXOGASA-N 1 1 307.358 -1.587 20 0 DAADMO Cn1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001533433007 929949116 /nfs/dbraw/zinc/94/91/16/929949116.db2.gz NIODXUXONOUFRN-PCAWENJQSA-N 1 1 322.369 -1.452 20 0 DAADMO Cn1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001533433007 929949133 /nfs/dbraw/zinc/94/91/33/929949133.db2.gz NIODXUXONOUFRN-PCAWENJQSA-N 1 1 322.369 -1.452 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)Cn2ncnn2)C1 ZINC001533508810 929950190 /nfs/dbraw/zinc/95/01/90/929950190.db2.gz JDEUCIAOGMJDCA-QAVQXKDTSA-N 1 1 321.385 -1.197 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001533925448 929959733 /nfs/dbraw/zinc/95/97/33/929959733.db2.gz BPACWEGMDNDPHE-WDEREUQCSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001533925447 929960468 /nfs/dbraw/zinc/96/04/68/929960468.db2.gz BPACWEGMDNDPHE-GHMZBOCLSA-N 1 1 324.385 -1.054 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cn1cnnn1 ZINC001534670261 929968777 /nfs/dbraw/zinc/96/87/77/929968777.db2.gz OPJLEZBOOHUXRP-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]2CNC(=O)CN2CCOCC2)C1 ZINC001534768539 929972170 /nfs/dbraw/zinc/97/21/70/929972170.db2.gz KTWWFHDOYDGXAT-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001534819247 929976492 /nfs/dbraw/zinc/97/64/92/929976492.db2.gz SVLLRDHJRMADSZ-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001534855303 929978594 /nfs/dbraw/zinc/97/85/94/929978594.db2.gz CEKAZTOVMYLSEO-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCN1C(=O)c1nc[nH]n1 ZINC001534917175 929979184 /nfs/dbraw/zinc/97/91/84/929979184.db2.gz QBZKOVZIQWKLDZ-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]1CNC(=O)C(N)=O)CC2 ZINC001535007880 929983310 /nfs/dbraw/zinc/98/33/10/929983310.db2.gz JIQXHZHJAYCCIM-PWSUYJOCSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064429 929984941 /nfs/dbraw/zinc/98/49/41/929984941.db2.gz MCSPCTXMCCTFCT-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064429 929984950 /nfs/dbraw/zinc/98/49/50/929984950.db2.gz MCSPCTXMCCTFCT-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)c2nnn(C)n2)C1 ZINC001535046938 929985374 /nfs/dbraw/zinc/98/53/74/929985374.db2.gz VURDWFHVKSEAMZ-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2C(=O)c2nnn(C)n2)C1 ZINC001535046941 929985391 /nfs/dbraw/zinc/98/53/91/929985391.db2.gz VURDWFHVKSEAMZ-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064427 929985795 /nfs/dbraw/zinc/98/57/95/929985795.db2.gz MCSPCTXMCCTFCT-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cncn2)C1 ZINC001535064427 929985805 /nfs/dbraw/zinc/98/58/05/929985805.db2.gz MCSPCTXMCCTFCT-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001535176362 929988676 /nfs/dbraw/zinc/98/86/76/929988676.db2.gz MRUBIKMQNBWCIR-UWVGGRQHSA-N 1 1 311.386 -1.098 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001535874919 929996412 /nfs/dbraw/zinc/99/64/12/929996412.db2.gz VNPMFIZORYUWOH-ZJUUUORDSA-N 1 1 309.370 -1.473 20 0 DAADMO CN1CC[NH+](CCCNC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001539127547 930023304 /nfs/dbraw/zinc/02/33/04/930023304.db2.gz BCTAWJDKLFYMLF-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001540807699 930024375 /nfs/dbraw/zinc/02/43/75/930024375.db2.gz LPZZZMSAPDPOIU-LLVKDONJSA-N 1 1 301.391 -1.841 20 0 DAADMO C[C@H](NC(=O)CC[C@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001544139656 930025117 /nfs/dbraw/zinc/02/51/17/930025117.db2.gz UAWSHMVBMDLMGX-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC001548427235 930030057 /nfs/dbraw/zinc/03/00/57/930030057.db2.gz PTKRHCSIXLVSQM-QPUJVOFHSA-N 1 1 308.342 -1.263 20 0 DAADMO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC001548573928 930030855 /nfs/dbraw/zinc/03/08/55/930030855.db2.gz RWVVIBNXANAEGX-CYBMUJFWSA-N 1 1 324.429 -1.941 20 0 DAADMO CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC001548573929 930031044 /nfs/dbraw/zinc/03/10/44/930031044.db2.gz RWVVIBNXANAEGX-ZDUSSCGKSA-N 1 1 324.429 -1.941 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001548573606 930031316 /nfs/dbraw/zinc/03/13/16/930031316.db2.gz JJQDTAZBUGHDGN-UHFFFAOYSA-N 1 1 321.385 -1.093 20 0 DAADMO O=C(C[C@H]1CNCCS1(=O)=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001548556482 930032051 /nfs/dbraw/zinc/03/20/51/930032051.db2.gz LNEZHKNWQQDTNR-DTWKUNHWSA-N 1 1 311.354 -1.171 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)N1CCOCC1 ZINC001548634456 930032581 /nfs/dbraw/zinc/03/25/81/930032581.db2.gz ISBUPWXFPFVDEL-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001548645089 930033616 /nfs/dbraw/zinc/03/36/16/930033616.db2.gz CPSBVWMYLSADTI-GHMZBOCLSA-N 1 1 318.443 -1.181 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548625727 930033693 /nfs/dbraw/zinc/03/36/93/930033693.db2.gz PUNSICBRVKZHFG-DZGCQCFKSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001548647521 930033717 /nfs/dbraw/zinc/03/37/17/930033717.db2.gz VMTDXXOAWRBNNZ-AGIUHOORSA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(OCC(N)=O)CC1 ZINC001548642131 930033803 /nfs/dbraw/zinc/03/38/03/930033803.db2.gz UEPPJZVNOCHHDG-WCQYABFASA-N 1 1 310.398 -1.132 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CCOCC1 ZINC001548623052 930034261 /nfs/dbraw/zinc/03/42/61/930034261.db2.gz SXNXSERVXTUXIG-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCCS1(=O)=O ZINC001548636069 930034571 /nfs/dbraw/zinc/03/45/71/930034571.db2.gz QDXHRLKSHNSQEK-NWDGAFQWSA-N 1 1 316.427 -1.474 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CCOCC1 ZINC001548618930 930034604 /nfs/dbraw/zinc/03/46/04/930034604.db2.gz WBTNIUDVKMUION-QWHCGFSZSA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC001548647890 930035214 /nfs/dbraw/zinc/03/52/14/930035214.db2.gz DJIZMYWFLFVMCK-WOPDTQHZSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCNS(C)(=O)=O ZINC001548645525 930035986 /nfs/dbraw/zinc/03/59/86/930035986.db2.gz BILOTNRDFGRFPE-GHMZBOCLSA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(CC(N)=O)CCOCC1 ZINC001548663340 930037109 /nfs/dbraw/zinc/03/71/09/930037109.db2.gz GDMNNWOSXUQELN-VXGBXAGGSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001548660790 930037203 /nfs/dbraw/zinc/03/72/03/930037203.db2.gz SLKWDVMUAKQUSA-OLZOCXBDSA-N 1 1 323.441 -1.217 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@H]1COC[C@H]1O ZINC001548656807 930037258 /nfs/dbraw/zinc/03/72/58/930037258.db2.gz WLCFVJMEWJCNTD-WDEREUQCSA-N 1 1 301.343 -1.506 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@H]1COC[C@H]1O ZINC001548656807 930037265 /nfs/dbraw/zinc/03/72/65/930037265.db2.gz WLCFVJMEWJCNTD-WDEREUQCSA-N 1 1 301.343 -1.506 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1(CC(N)=O)CCOCC1 ZINC001548663338 930037767 /nfs/dbraw/zinc/03/77/67/930037767.db2.gz GDMNNWOSXUQELN-NWDGAFQWSA-N 1 1 310.398 -1.085 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@@H]1CNC(=O)C1 ZINC001548656025 930037995 /nfs/dbraw/zinc/03/79/95/930037995.db2.gz FARSSZNJCOKHEF-NSHDSACASA-N 1 1 312.370 -1.130 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@@H]1CNC(=O)C1 ZINC001548656025 930038003 /nfs/dbraw/zinc/03/80/03/930038003.db2.gz FARSSZNJCOKHEF-NSHDSACASA-N 1 1 312.370 -1.130 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC001548663703 930038245 /nfs/dbraw/zinc/03/82/45/930038245.db2.gz OGTNKAVKBZALCN-WCQYABFASA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC001548660792 930038477 /nfs/dbraw/zinc/03/84/77/930038477.db2.gz SLKWDVMUAKQUSA-STQMWFEESA-N 1 1 323.441 -1.217 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001548719418 930039119 /nfs/dbraw/zinc/03/91/19/930039119.db2.gz SLGNGORPUDGJMT-GHMZBOCLSA-N 1 1 309.370 -2.469 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001548699153 930039616 /nfs/dbraw/zinc/03/96/16/930039616.db2.gz ZUEFHKGHJZHZBM-UPJWGTAASA-N 1 1 307.398 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001548725868 930039955 /nfs/dbraw/zinc/03/99/55/930039955.db2.gz JEZZHYVNHADNSZ-VXGBXAGGSA-N 1 1 305.386 -1.158 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC001548725099 930040071 /nfs/dbraw/zinc/04/00/71/930040071.db2.gz NNFCOCPZUDGXRE-GRYCIOLGSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001548725101 930040213 /nfs/dbraw/zinc/04/02/13/930040213.db2.gz NNFCOCPZUDGXRE-UTUOFQBUSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001548725860 930040445 /nfs/dbraw/zinc/04/04/45/930040445.db2.gz JEZZHYVNHADNSZ-NEPJUHHUSA-N 1 1 305.386 -1.158 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001548725863 930040878 /nfs/dbraw/zinc/04/08/78/930040878.db2.gz JEZZHYVNHADNSZ-NWDGAFQWSA-N 1 1 305.386 -1.158 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001548701922 930041273 /nfs/dbraw/zinc/04/12/73/930041273.db2.gz QRXHTXBSIPXPGW-WNYYMSAVSA-N 1 1 316.427 -1.429 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001548699151 930041705 /nfs/dbraw/zinc/04/17/05/930041705.db2.gz ZUEFHKGHJZHZBM-FRRDWIJNSA-N 1 1 307.398 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC001548731685 930041734 /nfs/dbraw/zinc/04/17/34/930041734.db2.gz QJGNDZQUCXOEIQ-HZSPNIEDSA-N 1 1 320.397 -1.106 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001548699152 930041902 /nfs/dbraw/zinc/04/19/02/930041902.db2.gz ZUEFHKGHJZHZBM-JHJVBQTASA-N 1 1 307.398 -1.047 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001548715246 930042033 /nfs/dbraw/zinc/04/20/33/930042033.db2.gz AKINOTFBXBRFPV-VOAKCMCISA-N 1 1 308.382 -1.509 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC001548731687 930042417 /nfs/dbraw/zinc/04/24/17/930042417.db2.gz QJGNDZQUCXOEIQ-MGPQQGTHSA-N 1 1 320.397 -1.106 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001548732872 930042963 /nfs/dbraw/zinc/04/29/63/930042963.db2.gz LYBDZKXREFYQLZ-KOLCDFICSA-N 1 1 302.400 -1.865 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC001548735578 930043444 /nfs/dbraw/zinc/04/34/44/930043444.db2.gz LOVFEXCFZZCAQC-ZIAGYGMSSA-N 1 1 323.441 -1.393 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC12COCCN1CCOC2 ZINC001548733524 930045503 /nfs/dbraw/zinc/04/55/03/930045503.db2.gz JCGVLUZIXINRJT-UONOGXRCSA-N 1 1 324.425 -1.408 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CC1=O ZINC001548995791 930047348 /nfs/dbraw/zinc/04/73/48/930047348.db2.gz JXNXNRIYTDEXJD-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cn1ncn(C)c1=O ZINC001549044524 930047641 /nfs/dbraw/zinc/04/76/41/930047641.db2.gz BPDGGBFBEGUUSF-SNVBAGLBSA-N 1 1 305.342 -1.512 20 0 DAADMO C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549139010 930049746 /nfs/dbraw/zinc/04/97/46/930049746.db2.gz DPFUPOJBZMMTAT-QWRGUYRKSA-N 1 1 312.370 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549139001 930050228 /nfs/dbraw/zinc/05/02/28/930050228.db2.gz DPFUPOJBZMMTAT-MNOVXSKESA-N 1 1 312.370 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](CN2C[C@H](O)CC2=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549173940 930051431 /nfs/dbraw/zinc/05/14/31/930051431.db2.gz WTKMWAQBFLYVMA-UPJWGTAASA-N 1 1 311.382 -1.036 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001549301147 930053414 /nfs/dbraw/zinc/05/34/14/930053414.db2.gz PPAQIBVXDPDBCC-QJPTWQEYSA-N 1 1 310.398 -1.051 20 0 DAADMO Cn1cc(O[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)cn1 ZINC001549598018 930053802 /nfs/dbraw/zinc/05/38/02/930053802.db2.gz RDGPCLHTMJJWDT-NEPJUHHUSA-N 1 1 308.338 -1.007 20 0 DAADMO Cn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)cn1 ZINC001549598018 930053812 /nfs/dbraw/zinc/05/38/12/930053812.db2.gz RDGPCLHTMJJWDT-NEPJUHHUSA-N 1 1 308.338 -1.007 20 0 DAADMO CCn1cc(O[C@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@@H]2O)cn1 ZINC001549556018 930054328 /nfs/dbraw/zinc/05/43/28/930054328.db2.gz CNPFFJMTUTYGHR-IUCAKERBSA-N 1 1 306.330 -1.119 20 0 DAADMO Cn1cc(O[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)cn1 ZINC001549598023 930054358 /nfs/dbraw/zinc/05/43/58/930054358.db2.gz RDGPCLHTMJJWDT-NWDGAFQWSA-N 1 1 308.338 -1.007 20 0 DAADMO Cn1cc(O[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)cn1 ZINC001549598023 930054372 /nfs/dbraw/zinc/05/43/72/930054372.db2.gz RDGPCLHTMJJWDT-NWDGAFQWSA-N 1 1 308.338 -1.007 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549594901 930054481 /nfs/dbraw/zinc/05/44/81/930054481.db2.gz DRUBXBWOGNIFTQ-MNOVXSKESA-N 1 1 311.342 -1.310 20 0 DAADMO CCn1cc(O[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)cn1 ZINC001549594668 930055152 /nfs/dbraw/zinc/05/51/52/930055152.db2.gz BGDNUTSLKUAZJV-RYUDHWBXSA-N 1 1 323.353 -1.121 20 0 DAADMO CCn1cc(O[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)cn1 ZINC001549594668 930055168 /nfs/dbraw/zinc/05/51/68/930055168.db2.gz BGDNUTSLKUAZJV-RYUDHWBXSA-N 1 1 323.353 -1.121 20 0 DAADMO C[C@@H]1CN(c2nc(N)nc(N)[nH+]2)C[C@@H]1C(=O)N1CCOCC1 ZINC001549557383 930055569 /nfs/dbraw/zinc/05/55/69/930055569.db2.gz YIBCBKONLCHGQW-BDAKNGLRSA-N 1 1 307.358 -1.033 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1=O ZINC001549623948 930056185 /nfs/dbraw/zinc/05/61/85/930056185.db2.gz KMZCRYOGLCASCR-QJPTWQEYSA-N 1 1 324.381 -1.016 20 0 DAADMO O=S(=O)(N1CCOCC1)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CO ZINC001549904079 930059653 /nfs/dbraw/zinc/05/96/53/930059653.db2.gz POCNWLJYCYCFTD-RYUDHWBXSA-N 1 1 305.400 -1.296 20 0 DAADMO O=S(=O)(N1CCOCC1)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001549904080 930059715 /nfs/dbraw/zinc/05/97/15/930059715.db2.gz POCNWLJYCYCFTD-VXGBXAGGSA-N 1 1 305.400 -1.296 20 0 DAADMO CN1CC[C@H](N2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)C1=O ZINC001550092809 930060417 /nfs/dbraw/zinc/06/04/17/930060417.db2.gz NBVHTRHJRPTMCQ-AWEZNQCLSA-N 1 1 323.441 -1.297 20 0 DAADMO CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C2)CC1 ZINC001550002278 930060472 /nfs/dbraw/zinc/06/04/72/930060472.db2.gz SDBRTBNURUAKDL-CQSZACIVSA-N 1 1 323.441 -1.391 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1nc2n(n1)CCCN2 ZINC001550059090 930060495 /nfs/dbraw/zinc/06/04/95/930060495.db2.gz ABXIIFLHUOHGAF-SNVBAGLBSA-N 1 1 316.369 -1.129 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1=O ZINC001550387324 930062295 /nfs/dbraw/zinc/06/22/95/930062295.db2.gz CHKPLXCQARNSKY-FDYHWXHSSA-N 1 1 311.382 -1.053 20 0 DAADMO Cn1c(=O)cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CO)n(C)c1=O ZINC001550144576 930062404 /nfs/dbraw/zinc/06/24/04/930062404.db2.gz KXPXGQPZCAEZNV-AAEUAGOBSA-N 1 1 308.382 -1.275 20 0 DAADMO Cn1c(=O)cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2CO)n(C)c1=O ZINC001550144578 930062613 /nfs/dbraw/zinc/06/26/13/930062613.db2.gz KXPXGQPZCAEZNV-YPMHNXCESA-N 1 1 308.382 -1.275 20 0 DAADMO CC(=O)N1CCN(C(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC001550144103 930062768 /nfs/dbraw/zinc/06/27/68/930062768.db2.gz HNWHYRUQMHCCOL-HUUCEWRRSA-N 1 1 324.425 -1.182 20 0 DAADMO COC[C@]1(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)CNCCO1 ZINC001550112865 930063334 /nfs/dbraw/zinc/06/33/34/930063334.db2.gz LMXGSGFOPWSESQ-JMSVASOKSA-N 1 1 323.397 -1.322 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@H]2CCC[N@H+]2C[C@H]1CO ZINC001550908395 930063910 /nfs/dbraw/zinc/06/39/10/930063910.db2.gz NSPFQBPEMGBAKH-NEPJUHHUSA-N 1 1 317.411 -1.022 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@H]2CCC[N@@H+]2C[C@H]1CO ZINC001550908395 930063920 /nfs/dbraw/zinc/06/39/20/930063920.db2.gz NSPFQBPEMGBAKH-NEPJUHHUSA-N 1 1 317.411 -1.022 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@@H]2CCC[N@H+]2C[C@H]1CO ZINC001550908412 930065614 /nfs/dbraw/zinc/06/56/14/930065614.db2.gz NSPFQBPEMGBAKH-RYUDHWBXSA-N 1 1 317.411 -1.022 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CO ZINC001550908412 930065626 /nfs/dbraw/zinc/06/56/26/930065626.db2.gz NSPFQBPEMGBAKH-RYUDHWBXSA-N 1 1 317.411 -1.022 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CN3CC(=O)N(C)C3=O)C[C@H]1COCC2 ZINC001551406893 930065738 /nfs/dbraw/zinc/06/57/38/930065738.db2.gz LALAGDWYPBBQLV-HZMBPMFUSA-N 1 1 310.354 -1.078 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]1COCC2 ZINC001551449878 930065939 /nfs/dbraw/zinc/06/59/39/930065939.db2.gz JRXIBBXLIPQYPP-JMSVASOKSA-N 1 1 311.382 -1.072 20 0 DAADMO CNC(=O)[C@@]12CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]1COCC2 ZINC001551449878 930065950 /nfs/dbraw/zinc/06/59/50/930065950.db2.gz JRXIBBXLIPQYPP-JMSVASOKSA-N 1 1 311.382 -1.072 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2COC[C@H]2n2ccnn2)C1 ZINC001551887921 930066120 /nfs/dbraw/zinc/06/61/20/930066120.db2.gz VTLCTOXACXMACR-CHWSQXEVSA-N 1 1 308.386 -1.172 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2COC[C@@H]2n2ccnn2)C1 ZINC001551888472 930066177 /nfs/dbraw/zinc/06/61/77/930066177.db2.gz VTLCTOXACXMACR-OLZOCXBDSA-N 1 1 308.386 -1.172 20 0 DAADMO CNC(=O)[C@@]12C[N@@H+](CC(=O)N3CCOCC3)C[C@H]1COCC2 ZINC001551416504 930066534 /nfs/dbraw/zinc/06/65/34/930066534.db2.gz FKTQDOYCKCIXMW-WFASDCNBSA-N 1 1 311.382 -1.070 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551423550 930068100 /nfs/dbraw/zinc/06/81/00/930068100.db2.gz VKTFYGZUBXQGDP-IMSIIYSGSA-N 1 1 312.370 -1.085 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@@H](n3ccnn3)[C@@H](O)C2)C1 ZINC001552986846 930074568 /nfs/dbraw/zinc/07/45/68/930074568.db2.gz GEURFOXVOPUVGL-OLZOCXBDSA-N 1 1 308.386 -1.484 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001552981776 930074695 /nfs/dbraw/zinc/07/46/95/930074695.db2.gz KFSNTNHTZLZBDB-OLZOCXBDSA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@@H]1CC(=O)NC1=O)CCOCCO ZINC001558098862 930086126 /nfs/dbraw/zinc/08/61/26/930086126.db2.gz NVLWSRSLHXHLAM-SNVBAGLBSA-N 1 1 301.343 -1.904 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001559635133 930090117 /nfs/dbraw/zinc/09/01/17/930090117.db2.gz LQRFJSZYJOFYMX-MNOVXSKESA-N 1 1 301.343 -2.347 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001559635133 930090123 /nfs/dbraw/zinc/09/01/23/930090123.db2.gz LQRFJSZYJOFYMX-MNOVXSKESA-N 1 1 301.343 -2.347 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1)S(C)(=O)=O ZINC001559899185 930091283 /nfs/dbraw/zinc/09/12/83/930091283.db2.gz XZDMVDLISHDWKQ-GHMZBOCLSA-N 1 1 323.415 -2.331 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1)S(C)(=O)=O ZINC001559899185 930091293 /nfs/dbraw/zinc/09/12/93/930091293.db2.gz XZDMVDLISHDWKQ-GHMZBOCLSA-N 1 1 323.415 -2.331 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001560193950 930091351 /nfs/dbraw/zinc/09/13/51/930091351.db2.gz OQPCGJLQLGMTCM-SNVBAGLBSA-N 1 1 313.445 -1.074 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](C[C@](O)(C(N)=O)c3ccccc3)C[C@H]2C1=O ZINC001560076329 930092468 /nfs/dbraw/zinc/09/24/68/930092468.db2.gz BFLGDRAMLXZCFT-BFQNTYOBSA-N 1 1 317.345 -1.094 20 0 DAADMO Cn1nnc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001563237374 930095816 /nfs/dbraw/zinc/09/58/16/930095816.db2.gz DPDDFGHZGJAWIH-SECBINFHSA-N 1 1 310.362 -1.081 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)NCCOCCS(N)(=O)=O)CC[N@H+]1C ZINC001564892353 930096145 /nfs/dbraw/zinc/09/61/45/930096145.db2.gz WYXHOJQKADFGJX-ZJUUUORDSA-N 1 1 308.404 -1.317 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)NCCOCCS(N)(=O)=O ZINC001564892129 930097376 /nfs/dbraw/zinc/09/73/76/930097376.db2.gz OIIABYVFLBDUQN-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1COCO1 ZINC001565070251 930098574 /nfs/dbraw/zinc/09/85/74/930098574.db2.gz XEGYCHDJVAAZAQ-QWRGUYRKSA-N 1 1 300.359 -1.002 20 0 DAADMO COC[C@@H](O)CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001565069476 930099339 /nfs/dbraw/zinc/09/93/39/930099339.db2.gz GXQHQTVREUVMTA-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001570922156 948635042 /nfs/dbraw/zinc/63/50/42/948635042.db2.gz FRDXKCKOSGHONX-UHFFFAOYSA-N 1 1 320.357 -1.286 20 0 DAADMO C[NH+]1CCN(C(=O)CC[NH2+]CCS(=O)(=O)CC(=O)[O-])CC1 ZINC001593781616 954674943 /nfs/dbraw/zinc/67/49/43/954674943.db2.gz VBHHGMSFBUEWMN-UHFFFAOYSA-N 1 1 321.399 -1.761 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995769 956895519 /nfs/dbraw/zinc/89/55/19/956895519.db2.gz SPJKZOCSNPTSMH-MBNYWOFBSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995769 956895537 /nfs/dbraw/zinc/89/55/37/956895537.db2.gz SPJKZOCSNPTSMH-MBNYWOFBSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995769 956895550 /nfs/dbraw/zinc/89/55/50/956895550.db2.gz SPJKZOCSNPTSMH-MBNYWOFBSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995769 956895561 /nfs/dbraw/zinc/89/55/61/956895561.db2.gz SPJKZOCSNPTSMH-MBNYWOFBSA-N 1 1 302.371 -1.042 20 0 DAADMO COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001593995769 956895578 /nfs/dbraw/zinc/89/55/78/956895578.db2.gz SPJKZOCSNPTSMH-MBNYWOFBSA-N 1 1 302.371 -1.042 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC001598119680 990536855 /nfs/dbraw/zinc/53/68/55/990536855.db2.gz PQKNZPYNBQGAGF-QWRGUYRKSA-N 1 1 314.386 -1.153 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@H+](CCC[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725473 995515348 /nfs/dbraw/zinc/51/53/48/995515348.db2.gz YEZACTBRNVNNRJ-ZIAGYGMSSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](CCC[NH+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725473 995515359 /nfs/dbraw/zinc/51/53/59/995515359.db2.gz YEZACTBRNVNNRJ-ZIAGYGMSSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[NH+](CCC[N@@H+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725473 995515371 /nfs/dbraw/zinc/51/53/71/995515371.db2.gz YEZACTBRNVNNRJ-ZIAGYGMSSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[NH+](CCC[N@H+]2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001598725473 995515376 /nfs/dbraw/zinc/51/53/76/995515376.db2.gz YEZACTBRNVNNRJ-ZIAGYGMSSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1C(=O)[O-] ZINC001598822609 996345924 /nfs/dbraw/zinc/34/59/24/996345924.db2.gz RNHJVBUKXPMHJM-WDEREUQCSA-N 1 1 313.354 -1.386 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001191658496 781919068 /nfs/dbraw/zinc/91/90/68/781919068.db2.gz HIEFNGPSULFLFO-YNEHKIRRSA-N 1 1 300.355 -1.151 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)NC1=O ZINC001191719691 781919329 /nfs/dbraw/zinc/91/93/29/781919329.db2.gz NWYACIDGYSJSFF-NWDGAFQWSA-N 1 1 314.386 -1.448 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191720535 781919786 /nfs/dbraw/zinc/91/97/86/781919786.db2.gz TUTOKQIWLCUOKH-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191720535 781919794 /nfs/dbraw/zinc/91/97/94/781919794.db2.gz TUTOKQIWLCUOKH-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191666894 781919847 /nfs/dbraw/zinc/91/98/47/781919847.db2.gz QNOZLYRKPWUMMC-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191666894 781919858 /nfs/dbraw/zinc/91/98/58/781919858.db2.gz QNOZLYRKPWUMMC-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191696741 781920562 /nfs/dbraw/zinc/92/05/62/781920562.db2.gz PUTPQSVIJHJFLF-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191696741 781920567 /nfs/dbraw/zinc/92/05/67/781920567.db2.gz PUTPQSVIJHJFLF-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191697233 781920595 /nfs/dbraw/zinc/92/05/95/781920595.db2.gz LXILQLHNKLKTCU-GMTAPVOTSA-N 1 1 301.343 -2.565 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001191697233 781920587 /nfs/dbraw/zinc/92/05/87/781920587.db2.gz LXILQLHNKLKTCU-GMTAPVOTSA-N 1 1 301.343 -2.565 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191696357 781920788 /nfs/dbraw/zinc/92/07/88/781920788.db2.gz DVAHFYHRADTZCQ-IJLUTSLNSA-N 1 1 315.370 -1.911 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191696357 781920791 /nfs/dbraw/zinc/92/07/91/781920791.db2.gz DVAHFYHRADTZCQ-IJLUTSLNSA-N 1 1 315.370 -1.911 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770553 781921105 /nfs/dbraw/zinc/92/11/05/781921105.db2.gz HORXPIUVTKHOBP-MRVPVSSYSA-N 1 1 324.345 -2.188 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191770553 781921111 /nfs/dbraw/zinc/92/11/11/781921111.db2.gz HORXPIUVTKHOBP-MRVPVSSYSA-N 1 1 324.345 -2.188 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191777832 781921232 /nfs/dbraw/zinc/92/12/32/781921232.db2.gz QXTJFYILYJQDHX-IJLUTSLNSA-N 1 1 317.386 -1.929 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000348205640 545644079 /nfs/dbraw/zinc/64/40/79/545644079.db2.gz XYRBODIKPKRBOT-CZXHOFHRSA-N 1 1 301.387 -1.621 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC1 ZINC000668359812 545644691 /nfs/dbraw/zinc/64/46/91/545644691.db2.gz HDNDKGPZPMVRCJ-GHMZBOCLSA-N 1 1 308.386 -1.264 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)o2)[C@H]2NCN[C@H]21 ZINC001191733627 781923766 /nfs/dbraw/zinc/92/37/66/781923766.db2.gz UYMCXGBIGMJBGM-RRKCRQDMSA-N 1 1 317.147 -1.430 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191784621 781925383 /nfs/dbraw/zinc/92/53/83/781925383.db2.gz GVXNLWLWXTWLPJ-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1ccnc1)[C@H]1C[N@H+](C)CCO1 ZINC000670639832 545655049 /nfs/dbraw/zinc/65/50/49/545655049.db2.gz LXLPQQZHVIZVSF-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1ccnc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670639832 545655054 /nfs/dbraw/zinc/65/50/54/545655054.db2.gz LXLPQQZHVIZVSF-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO COC[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596364 545655550 /nfs/dbraw/zinc/65/55/50/545655550.db2.gz AOEIGEFVKOSTQG-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1O ZINC001191785886 781926324 /nfs/dbraw/zinc/92/63/24/781926324.db2.gz VHTGFOYBKGVGOF-HZSPNIEDSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](O)C(=O)N1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000407984175 545663200 /nfs/dbraw/zinc/66/32/00/545663200.db2.gz WEFRFCYCYCBTTA-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000407984175 545663204 /nfs/dbraw/zinc/66/32/04/545663204.db2.gz WEFRFCYCYCBTTA-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000407998860 545665500 /nfs/dbraw/zinc/66/55/00/545665500.db2.gz SPWDGDQXYYDGQE-GHMZBOCLSA-N 1 1 304.416 -1.017 20 0 DAADMO NS(=O)(=O)N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000407991498 545666803 /nfs/dbraw/zinc/66/68/03/545666803.db2.gz VVQAIHCULBFGPE-UHFFFAOYSA-N 1 1 306.388 -1.944 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191860167 781927503 /nfs/dbraw/zinc/92/75/03/781927503.db2.gz XUIGSGGWDCPYFO-RNWYCLNJSA-N 1 1 324.381 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827206 781927700 /nfs/dbraw/zinc/92/77/00/781927700.db2.gz BFWRBMOCHXZRNH-DCQANWLSSA-N 1 1 324.381 -1.133 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827206 781927710 /nfs/dbraw/zinc/92/77/10/781927710.db2.gz BFWRBMOCHXZRNH-DCQANWLSSA-N 1 1 324.381 -1.133 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000602902534 545681259 /nfs/dbraw/zinc/68/12/59/545681259.db2.gz CLAZTKGIYBGNKW-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000602902534 545681270 /nfs/dbraw/zinc/68/12/70/545681270.db2.gz CLAZTKGIYBGNKW-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO COCCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416446368 545697214 /nfs/dbraw/zinc/69/72/14/545697214.db2.gz PEFYWTVDDOVZCW-UHFFFAOYSA-N 1 1 320.415 -1.348 20 0 DAADMO CC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[N@H+]1CCOC ZINC000331313781 545703086 /nfs/dbraw/zinc/70/30/86/545703086.db2.gz IAQNDJABRVPOHM-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CC(C)[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H](C)O ZINC000107041233 545705542 /nfs/dbraw/zinc/70/55/42/545705542.db2.gz ASSWEWGKHONVPO-SECBINFHSA-N 1 1 312.370 -1.060 20 0 DAADMO CC(C)[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H](C)O ZINC000107041233 545705549 /nfs/dbraw/zinc/70/55/49/545705549.db2.gz ASSWEWGKHONVPO-SECBINFHSA-N 1 1 312.370 -1.060 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C)[C@H](CO)C2)C1 ZINC000343927205 545708900 /nfs/dbraw/zinc/70/89/00/545708900.db2.gz VQLYJIIRROLMPU-AVGNSLFASA-N 1 1 313.398 -1.090 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001191946839 781931578 /nfs/dbraw/zinc/93/15/78/781931578.db2.gz FPXCSJOOAPMGBH-ZANVPECISA-N 1 1 316.333 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001191946839 781931584 /nfs/dbraw/zinc/93/15/84/781931584.db2.gz FPXCSJOOAPMGBH-ZANVPECISA-N 1 1 316.333 -1.157 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001191989213 781932858 /nfs/dbraw/zinc/93/28/58/781932858.db2.gz YRSSXCLMNJYIRZ-QJPTWQEYSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001191989213 781932870 /nfs/dbraw/zinc/93/28/70/781932870.db2.gz YRSSXCLMNJYIRZ-QJPTWQEYSA-N 1 1 315.370 -1.781 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995397 781933127 /nfs/dbraw/zinc/93/31/27/781933127.db2.gz KZPGGDUXFFXYEG-GMTAPVOTSA-N 1 1 314.386 -1.720 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995397 781933134 /nfs/dbraw/zinc/93/31/34/781933134.db2.gz KZPGGDUXFFXYEG-GMTAPVOTSA-N 1 1 314.386 -1.720 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995019 781933229 /nfs/dbraw/zinc/93/32/29/781933229.db2.gz GAJIPWFISBNAIP-IJLUTSLNSA-N 1 1 317.386 -1.943 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001191994666 781933482 /nfs/dbraw/zinc/93/34/82/781933482.db2.gz BALRIUSIVKNIHV-GMTAPVOTSA-N 1 1 311.342 -2.719 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347344775 545717745 /nfs/dbraw/zinc/71/77/45/545717745.db2.gz SFNUBUBHICRHIM-TXEJJXNPSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347344775 545717751 /nfs/dbraw/zinc/71/77/51/545717751.db2.gz SFNUBUBHICRHIM-TXEJJXNPSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967483 545721543 /nfs/dbraw/zinc/72/15/43/545721543.db2.gz HDQOORUXUPUMJO-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995020 781934322 /nfs/dbraw/zinc/93/43/22/781934322.db2.gz GAJIPWFISBNAIP-QJPTWQEYSA-N 1 1 317.386 -1.943 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C3CCN(S(N)(=O)=O)CC3)C[C@H]2C1 ZINC000329915895 545722694 /nfs/dbraw/zinc/72/26/94/545722694.db2.gz PZOYUUNVKGIALQ-TXEJJXNPSA-N 1 1 316.427 -1.078 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000331437947 545723786 /nfs/dbraw/zinc/72/37/86/545723786.db2.gz SBLDSLCVHWRDDT-JFGNBEQYSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000331392543 545725219 /nfs/dbraw/zinc/72/52/19/545725219.db2.gz MSGLUOOZJLUZRK-NQBHXWOUSA-N 1 1 311.382 -1.053 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001191967789 781935612 /nfs/dbraw/zinc/93/56/12/781935612.db2.gz RWIAPNRFPOZUIZ-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001191967789 781935621 /nfs/dbraw/zinc/93/56/21/781935621.db2.gz RWIAPNRFPOZUIZ-VXGBXAGGSA-N 1 1 320.349 -1.678 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977386 781936152 /nfs/dbraw/zinc/93/61/52/781936152.db2.gz BNPNLKDYAIIWBI-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977386 781936161 /nfs/dbraw/zinc/93/61/61/781936161.db2.gz BNPNLKDYAIIWBI-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001191978024 781936230 /nfs/dbraw/zinc/93/62/30/781936230.db2.gz GVQVQMVENWYXBP-JHJVBQTASA-N 1 1 307.350 -1.243 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000357977484 545739500 /nfs/dbraw/zinc/73/95/00/545739500.db2.gz CLJFMMQKMHLXRW-JQWIXIFHSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000357977486 545740683 /nfs/dbraw/zinc/74/06/83/545740683.db2.gz CLJFMMQKMHLXRW-ZYHUDNBSSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001191979779 781937324 /nfs/dbraw/zinc/93/73/24/781937324.db2.gz VSLKQHXZAAMHQP-VXGBXAGGSA-N 1 1 309.370 -1.463 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001191979119 781937492 /nfs/dbraw/zinc/93/74/92/781937492.db2.gz QQMYPHKOQGPJOB-GHMZBOCLSA-N 1 1 310.358 -2.068 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)n1 ZINC001191979119 781937484 /nfs/dbraw/zinc/93/74/84/781937484.db2.gz QQMYPHKOQGPJOB-GHMZBOCLSA-N 1 1 310.358 -2.068 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001192012153 781938833 /nfs/dbraw/zinc/93/88/33/781938833.db2.gz HMVVSPXLDMWTDW-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037649 781940006 /nfs/dbraw/zinc/94/00/06/781940006.db2.gz JCUIITIXLHKITL-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039549 781940903 /nfs/dbraw/zinc/94/09/03/781940903.db2.gz ZHLXTSKGZYMWII-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039549 781940911 /nfs/dbraw/zinc/94/09/11/781940911.db2.gz ZHLXTSKGZYMWII-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038704 781941158 /nfs/dbraw/zinc/94/11/58/781941158.db2.gz RPAQKRIBLFMYCG-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038702 781941327 /nfs/dbraw/zinc/94/13/27/781941327.db2.gz RPAQKRIBLFMYCG-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038459 781941741 /nfs/dbraw/zinc/94/17/41/781941741.db2.gz QNDFPAYDYSJEEL-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038459 781941744 /nfs/dbraw/zinc/94/17/44/781941744.db2.gz QNDFPAYDYSJEEL-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037928 781941776 /nfs/dbraw/zinc/94/17/76/781941776.db2.gz MERAPAAFKNLDDA-NEPJUHHUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192084225 781943682 /nfs/dbraw/zinc/94/36/82/781943682.db2.gz VTFDZTNDASDMCD-SECBINFHSA-N 1 1 306.388 -1.927 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192084225 781943687 /nfs/dbraw/zinc/94/36/87/781943687.db2.gz VTFDZTNDASDMCD-SECBINFHSA-N 1 1 306.388 -1.927 20 0 DAADMO C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101634 781944207 /nfs/dbraw/zinc/94/42/07/781944207.db2.gz FLMJEGCDVSAAJK-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101634 781944213 /nfs/dbraw/zinc/94/42/13/781944213.db2.gz FLMJEGCDVSAAJK-VIFPVBQESA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(=O)NCc1cccnc1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101585 781944536 /nfs/dbraw/zinc/94/45/36/781944536.db2.gz DEGQOBAYYCRCNQ-GFCCVEGCSA-N 1 1 319.365 -1.284 20 0 DAADMO C[N@@H+](CC(=O)NCc1cccnc1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101585 781944546 /nfs/dbraw/zinc/94/45/46/781944546.db2.gz DEGQOBAYYCRCNQ-GFCCVEGCSA-N 1 1 319.365 -1.284 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072344 781944561 /nfs/dbraw/zinc/94/45/61/781944561.db2.gz DNQRNSRSVWGZHB-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072344 781944567 /nfs/dbraw/zinc/94/45/67/781944567.db2.gz DNQRNSRSVWGZHB-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001192109662 781944904 /nfs/dbraw/zinc/94/49/04/781944904.db2.gz LODTXUGIYGJDHR-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001192109662 781944917 /nfs/dbraw/zinc/94/49/17/781944917.db2.gz LODTXUGIYGJDHR-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001192109662 781944926 /nfs/dbraw/zinc/94/49/26/781944926.db2.gz LODTXUGIYGJDHR-IJLUTSLNSA-N 1 1 309.370 -1.065 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102277 781945040 /nfs/dbraw/zinc/94/50/40/781945040.db2.gz PLNGEGURENWCEC-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102277 781945049 /nfs/dbraw/zinc/94/50/49/781945049.db2.gz PLNGEGURENWCEC-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102458 781946039 /nfs/dbraw/zinc/94/60/39/781946039.db2.gz RWQLRDDKEKXZFG-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102458 781946049 /nfs/dbraw/zinc/94/60/49/781946049.db2.gz RWQLRDDKEKXZFG-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102140 781946987 /nfs/dbraw/zinc/94/69/87/781946987.db2.gz MYJPEXFTGULIDN-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102140 781946996 /nfs/dbraw/zinc/94/69/96/781946996.db2.gz MYJPEXFTGULIDN-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192263675 781952091 /nfs/dbraw/zinc/95/20/91/781952091.db2.gz YGJOLHDUYPQTJC-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192270202 781952541 /nfs/dbraw/zinc/95/25/41/781952541.db2.gz AWLKDXSDKHUHLY-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001192271171 781952822 /nfs/dbraw/zinc/95/28/22/781952822.db2.gz POZAQKIMTFHFGK-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192271166 781952892 /nfs/dbraw/zinc/95/28/92/781952892.db2.gz PJOBGSVKFVGWKE-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192263742 781953121 /nfs/dbraw/zinc/95/31/21/781953121.db2.gz ZQEUJGOSCMEARV-BFHYXJOUSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192263222 781953192 /nfs/dbraw/zinc/95/31/92/781953192.db2.gz LHBNUACQHYREDH-YNEHKIRRSA-N 1 1 317.386 -2.513 20 0 DAADMO C[C@@](O)(CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192306369 781954329 /nfs/dbraw/zinc/95/43/29/781954329.db2.gz HKPROYOVQVKWDC-UMVBOHGHSA-N 1 1 316.398 -1.292 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192333704 781954685 /nfs/dbraw/zinc/95/46/85/781954685.db2.gz VISUWEMBHGIHJV-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192333704 781954690 /nfs/dbraw/zinc/95/46/90/781954690.db2.gz VISUWEMBHGIHJV-GARJFASQSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340727507 299338054 /nfs/dbraw/zinc/33/80/54/299338054.db2.gz IVSCAIKBKBKQBH-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320857 781955837 /nfs/dbraw/zinc/95/58/37/781955837.db2.gz NEPMFQCQPGMLQR-GHMZBOCLSA-N 1 1 313.358 -1.428 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192367688 781956603 /nfs/dbraw/zinc/95/66/03/781956603.db2.gz PMLPIODGHCYTOG-TUAOUCFPSA-N 1 1 310.398 -1.011 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192367688 781956607 /nfs/dbraw/zinc/95/66/07/781956607.db2.gz PMLPIODGHCYTOG-TUAOUCFPSA-N 1 1 310.398 -1.011 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 ZINC001192375088 781957732 /nfs/dbraw/zinc/95/77/32/781957732.db2.gz QYMTXUGMGWXQLZ-HOSYDEDBSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2O)C1 ZINC001192375088 781957737 /nfs/dbraw/zinc/95/77/37/781957737.db2.gz QYMTXUGMGWXQLZ-HOSYDEDBSA-N 1 1 311.338 -1.431 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001192429958 781958483 /nfs/dbraw/zinc/95/84/83/781958483.db2.gz UXKFNBURMJZKLS-VXGBXAGGSA-N 1 1 309.370 -1.474 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001192429958 781958472 /nfs/dbraw/zinc/95/84/72/781958472.db2.gz UXKFNBURMJZKLS-VXGBXAGGSA-N 1 1 309.370 -1.474 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1=O ZINC000377569010 545758589 /nfs/dbraw/zinc/75/85/89/545758589.db2.gz UXUNMMDPTXYEJG-ZCFIWIBFSA-N 1 1 304.253 -1.528 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671123096 545758661 /nfs/dbraw/zinc/75/86/61/545758661.db2.gz XKJTWRGRBYGESW-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671163573 545758851 /nfs/dbraw/zinc/75/88/51/545758851.db2.gz OGHCLDAYHRTDEJ-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671123095 545759028 /nfs/dbraw/zinc/75/90/28/545759028.db2.gz XKJTWRGRBYGESW-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000129591354 545763921 /nfs/dbraw/zinc/76/39/21/545763921.db2.gz BZTPYUIWPOGSLL-CYBMUJFWSA-N 1 1 310.398 -1.401 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CN2CCOCC2)C1)N1CCNC(=O)C1 ZINC000129591354 545763931 /nfs/dbraw/zinc/76/39/31/545763931.db2.gz BZTPYUIWPOGSLL-CYBMUJFWSA-N 1 1 310.398 -1.401 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000419358944 545766012 /nfs/dbraw/zinc/76/60/12/545766012.db2.gz QCGZUINDYYYGIS-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000419358944 545766020 /nfs/dbraw/zinc/76/60/20/545766020.db2.gz QCGZUINDYYYGIS-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1C ZINC000419454722 545767729 /nfs/dbraw/zinc/76/77/29/545767729.db2.gz UXCAVQKCSAZAKD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1C ZINC000419454722 545767734 /nfs/dbraw/zinc/76/77/34/545767734.db2.gz UXCAVQKCSAZAKD-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc(OC)n1 ZINC001192428127 781959305 /nfs/dbraw/zinc/95/93/05/781959305.db2.gz PUXLLHGPJDAVRT-SRVKXCTJSA-N 1 1 308.342 -1.769 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCNC[C@@H]1C ZINC000419668390 545769277 /nfs/dbraw/zinc/76/92/77/545769277.db2.gz ACIHXUXFPAUAJN-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC[C@@H]1C ZINC000419668390 545769278 /nfs/dbraw/zinc/76/92/78/545769278.db2.gz ACIHXUXFPAUAJN-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000669657635 545770394 /nfs/dbraw/zinc/77/03/94/545770394.db2.gz PUIIRBNZLIIAMS-UTLUCORTSA-N 1 1 308.404 -1.318 20 0 DAADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000669657635 545770400 /nfs/dbraw/zinc/77/04/00/545770400.db2.gz PUIIRBNZLIIAMS-UTLUCORTSA-N 1 1 308.404 -1.318 20 0 DAADMO Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)[nH]n1 ZINC000424045050 545776161 /nfs/dbraw/zinc/77/61/61/545776161.db2.gz SQWCBMZBYMPANA-UHFFFAOYSA-N 1 1 313.383 -1.222 20 0 DAADMO Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000424045050 545776166 /nfs/dbraw/zinc/77/61/66/545776166.db2.gz SQWCBMZBYMPANA-UHFFFAOYSA-N 1 1 313.383 -1.222 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C[N@@H+]1CCO ZINC000616341675 372765045 /nfs/dbraw/zinc/76/50/45/372765045.db2.gz QNZKGHDBOOWUQR-MNOVXSKESA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C[N@H+]1CCO ZINC000616341675 372765052 /nfs/dbraw/zinc/76/50/52/372765052.db2.gz QNZKGHDBOOWUQR-MNOVXSKESA-N 1 1 308.386 -1.122 20 0 DAADMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000600188995 372760182 /nfs/dbraw/zinc/76/01/82/372760182.db2.gz ADCSISDZRTVEBP-AWEZNQCLSA-N 1 1 311.338 -1.152 20 0 DAADMO C[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H](C)C[N@H+]1CCO ZINC000616340724 372761768 /nfs/dbraw/zinc/76/17/68/372761768.db2.gz HKGFYGHOKLKTBW-BJKGOZRQSA-N 1 1 314.382 -1.687 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000533545503 372781044 /nfs/dbraw/zinc/78/10/44/372781044.db2.gz CHSYXVFDDPMURG-NEPJUHHUSA-N 1 1 307.416 -1.697 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000533545644 372782795 /nfs/dbraw/zinc/78/27/95/372782795.db2.gz VLMGGPPIOPMZQW-JTQLQIEISA-N 1 1 321.399 -1.369 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@]1(C)CO ZINC000558217097 372821753 /nfs/dbraw/zinc/82/17/53/372821753.db2.gz LRVNEJSDCMOLKR-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000558166606 372821809 /nfs/dbraw/zinc/82/18/09/372821809.db2.gz SMYOSJLTYHGZAM-RYUDHWBXSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000558166606 372821816 /nfs/dbraw/zinc/82/18/16/372821816.db2.gz SMYOSJLTYHGZAM-RYUDHWBXSA-N 1 1 310.416 -1.383 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081230513 372797052 /nfs/dbraw/zinc/79/70/52/372797052.db2.gz RFWIHSDRGWCRPY-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081230513 372797059 /nfs/dbraw/zinc/79/70/59/372797059.db2.gz RFWIHSDRGWCRPY-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616550474 372804072 /nfs/dbraw/zinc/80/40/72/372804072.db2.gz UGHMRUZJYYTQFX-MNOVXSKESA-N 1 1 306.370 -1.512 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616550474 372804076 /nfs/dbraw/zinc/80/40/76/372804076.db2.gz UGHMRUZJYYTQFX-MNOVXSKESA-N 1 1 306.370 -1.512 20 0 DAADMO CCC[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)S(N)(=O)=O ZINC000616703170 372806375 /nfs/dbraw/zinc/80/63/75/372806375.db2.gz QTCFAFMTUZSQMQ-AXFHLTTASA-N 1 1 305.400 -1.279 20 0 DAADMO CC[NH+]1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000057568114 372814483 /nfs/dbraw/zinc/81/44/83/372814483.db2.gz SKOAOUFRENVQOL-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000634781337 372841283 /nfs/dbraw/zinc/84/12/83/372841283.db2.gz VRTWQLRSTHNYNZ-DTORHVGOSA-N 1 1 308.338 -1.573 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000634781337 372841291 /nfs/dbraw/zinc/84/12/91/372841291.db2.gz VRTWQLRSTHNYNZ-DTORHVGOSA-N 1 1 308.338 -1.573 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000600499078 372842612 /nfs/dbraw/zinc/84/26/12/372842612.db2.gz OVBMRBBWJOFPIR-SNVBAGLBSA-N 1 1 301.343 -1.497 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000600499078 372842615 /nfs/dbraw/zinc/84/26/15/372842615.db2.gz OVBMRBBWJOFPIR-SNVBAGLBSA-N 1 1 301.343 -1.497 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000151574188 372849223 /nfs/dbraw/zinc/84/92/23/372849223.db2.gz TUADOPAWLMURSJ-NSHDSACASA-N 1 1 306.432 -1.322 20 0 DAADMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2nccnn2)CC1 ZINC000625636953 372829901 /nfs/dbraw/zinc/82/99/01/372829901.db2.gz FIIPRYCRHJMBJP-CYBMUJFWSA-N 1 1 308.386 -1.313 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000562362772 372879719 /nfs/dbraw/zinc/87/97/19/372879719.db2.gz QTFDCESCQKLRAV-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@@H](CNC(=O)C1(S(N)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000561259283 372869604 /nfs/dbraw/zinc/86/96/04/372869604.db2.gz ONDXNABPGQWPRH-JTQLQIEISA-N 1 1 305.400 -1.108 20 0 DAADMO CN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000583448733 372869700 /nfs/dbraw/zinc/86/97/00/372869700.db2.gz NADABBQONQWDBC-UHFFFAOYSA-N 1 1 312.370 -1.875 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1=O ZINC000627574717 372876194 /nfs/dbraw/zinc/87/61/94/372876194.db2.gz OKWGDNAZTDKKNZ-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@](O)(CC(=O)NC)C1 ZINC000643815923 372878610 /nfs/dbraw/zinc/87/86/10/372878610.db2.gz UTWHGZDTSGQSIF-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(=O)n(C)c1=O ZINC000626038524 372858983 /nfs/dbraw/zinc/85/89/83/372858983.db2.gz PQTLUHFZPPQBTA-OCAPTIKFSA-N 1 1 323.353 -1.955 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(=O)n(C)c1=O ZINC000626038524 372858990 /nfs/dbraw/zinc/85/89/90/372858990.db2.gz PQTLUHFZPPQBTA-OCAPTIKFSA-N 1 1 323.353 -1.955 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(=O)[nH]c1=O ZINC000626036737 372859788 /nfs/dbraw/zinc/85/97/88/372859788.db2.gz NFMUSINWGQJUIF-OCAPTIKFSA-N 1 1 323.353 -1.071 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c(=O)[nH]c1=O ZINC000626036737 372859796 /nfs/dbraw/zinc/85/97/96/372859796.db2.gz NFMUSINWGQJUIF-OCAPTIKFSA-N 1 1 323.353 -1.071 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC000626097698 372860742 /nfs/dbraw/zinc/86/07/42/372860742.db2.gz XPHBSPAABSXHTK-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCOC[C@H]2CNS(C)(=O)=O)CCO1 ZINC000626097698 372860750 /nfs/dbraw/zinc/86/07/50/372860750.db2.gz XPHBSPAABSXHTK-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC000626097699 372861390 /nfs/dbraw/zinc/86/13/90/372861390.db2.gz XPHBSPAABSXHTK-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2CNS(C)(=O)=O)CCO1 ZINC000626097699 372861396 /nfs/dbraw/zinc/86/13/96/372861396.db2.gz XPHBSPAABSXHTK-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626096848 372861505 /nfs/dbraw/zinc/86/15/05/372861505.db2.gz FMTCCXXPTNYRPG-RYUDHWBXSA-N 1 1 309.432 -1.451 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O)C1CC1 ZINC000626097711 372862026 /nfs/dbraw/zinc/86/20/26/372862026.db2.gz XSRBXSWMPNMVHP-OLZOCXBDSA-N 1 1 321.443 -1.309 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622630570 372888553 /nfs/dbraw/zinc/88/85/53/372888553.db2.gz SUTNIATWHBJIFR-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622631161 372888633 /nfs/dbraw/zinc/88/86/33/372888633.db2.gz HVLJEABYOJREFC-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1cnc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1=O ZINC000635556781 372889332 /nfs/dbraw/zinc/88/93/32/372889332.db2.gz VBYWRQSOELYLJH-UHFFFAOYSA-N 1 1 307.354 -1.326 20 0 DAADMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC000622631050 372889471 /nfs/dbraw/zinc/88/94/71/372889471.db2.gz FKGDPKWGRPSGIL-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC000363571153 372890639 /nfs/dbraw/zinc/89/06/39/372890639.db2.gz JHXOUIZFTGQELE-NXEZZACHSA-N 1 1 308.342 -1.644 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903922 372900721 /nfs/dbraw/zinc/90/07/21/372900721.db2.gz MUADSMLRGOCFKV-IDWGSYCQSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903922 372900730 /nfs/dbraw/zinc/90/07/30/372900730.db2.gz MUADSMLRGOCFKV-IDWGSYCQSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903931 372900930 /nfs/dbraw/zinc/90/09/30/372900930.db2.gz MUADSMLRGOCFKV-PMUOWJKOSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)O1 ZINC000635903931 372900936 /nfs/dbraw/zinc/90/09/36/372900936.db2.gz MUADSMLRGOCFKV-PMUOWJKOSA-N 1 1 305.400 -1.098 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C[N@H+]1C1CC1 ZINC000562667596 372881328 /nfs/dbraw/zinc/88/13/28/372881328.db2.gz SGUQVKLXGZGMGQ-MNOVXSKESA-N 1 1 323.397 -1.049 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000562442328 372882388 /nfs/dbraw/zinc/88/23/88/372882388.db2.gz OMDLRCQUOKVSEI-STQMWFEESA-N 1 1 303.403 -1.550 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C[N@H+]1C1CC1 ZINC000562667595 372882681 /nfs/dbraw/zinc/88/26/81/372882681.db2.gz SGUQVKLXGZGMGQ-GHMZBOCLSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1=O ZINC000562745652 372885639 /nfs/dbraw/zinc/88/56/39/372885639.db2.gz YIRMOXJAHLIGPL-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000562850372 372885751 /nfs/dbraw/zinc/88/57/51/372885751.db2.gz QVAVDZGHFBBYKH-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000562850372 372885755 /nfs/dbraw/zinc/88/57/55/372885755.db2.gz QVAVDZGHFBBYKH-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCNC(=O)CN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093157759 372887909 /nfs/dbraw/zinc/88/79/09/372887909.db2.gz VMTPHQODUJUHRE-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000569733188 372903029 /nfs/dbraw/zinc/90/30/29/372903029.db2.gz HHEXIENKWNPDRF-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000151449985 372905886 /nfs/dbraw/zinc/90/58/86/372905886.db2.gz MSUYQTFMKPZOHP-SNVBAGLBSA-N 1 1 315.399 -1.091 20 0 DAADMO Cn1cc(S(=O)(=O)N2CC([NH+](C)C)C2)c(=O)n(C)c1=O ZINC000272104179 372908633 /nfs/dbraw/zinc/90/86/33/372908633.db2.gz MCZKRXQUXGCLTI-UHFFFAOYSA-N 1 1 302.356 -1.982 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000644041042 372913509 /nfs/dbraw/zinc/91/35/09/372913509.db2.gz YXMIOENKBWPRNC-SRVKXCTJSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000644041042 372913517 /nfs/dbraw/zinc/91/35/17/372913517.db2.gz YXMIOENKBWPRNC-SRVKXCTJSA-N 1 1 301.387 -1.045 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636289017 372915762 /nfs/dbraw/zinc/91/57/62/372915762.db2.gz IJASDGLAXRFOCQ-JTQLQIEISA-N 1 1 304.416 -1.065 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000636259154 372916277 /nfs/dbraw/zinc/91/62/77/372916277.db2.gz ZPMCWDKIFPPMSX-QWRGUYRKSA-N 1 1 303.384 -1.390 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317733 372918636 /nfs/dbraw/zinc/91/86/36/372918636.db2.gz STRWHUSCJFHDAB-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317730 372918689 /nfs/dbraw/zinc/91/86/89/372918689.db2.gz STRWHUSCJFHDAB-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1(n2cnnn2)CC1 ZINC000636316762 372918981 /nfs/dbraw/zinc/91/89/81/372918981.db2.gz WAUCXJMWJNAVSW-UHFFFAOYSA-N 1 1 307.358 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000332926973 372921212 /nfs/dbraw/zinc/92/12/12/372921212.db2.gz HUYKJIYCQFAQBY-GFCCVEGCSA-N 1 1 314.386 -2.118 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000332926973 372921224 /nfs/dbraw/zinc/92/12/24/372921224.db2.gz HUYKJIYCQFAQBY-GFCCVEGCSA-N 1 1 314.386 -2.118 20 0 DAADMO Cn1cc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2=O)cn1 ZINC000177836591 372931456 /nfs/dbraw/zinc/93/14/56/372931456.db2.gz RSNREFAPOLHRGP-GFCCVEGCSA-N 1 1 307.354 -1.074 20 0 DAADMO Cn1cc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2=O)cn1 ZINC000177836591 372931461 /nfs/dbraw/zinc/93/14/61/372931461.db2.gz RSNREFAPOLHRGP-GFCCVEGCSA-N 1 1 307.354 -1.074 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](CO)C1 ZINC000174708562 372932404 /nfs/dbraw/zinc/93/24/04/372932404.db2.gz PWJWLTRELZMIMR-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](CO)C1 ZINC000174708562 372932410 /nfs/dbraw/zinc/93/24/10/372932410.db2.gz PWJWLTRELZMIMR-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC[C@@](C)(O)C3)c2c(=O)n(C)c1=O ZINC000178023830 372932609 /nfs/dbraw/zinc/93/26/09/372932609.db2.gz WGHWUPIOGFJLEL-CQSZACIVSA-N 1 1 307.354 -1.110 20 0 DAADMO CN1CCOC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636619199 372953320 /nfs/dbraw/zinc/95/33/20/372953320.db2.gz XBWFNZDQVASBQT-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000186763042 372940207 /nfs/dbraw/zinc/94/02/07/372940207.db2.gz HSHODNHMDUJDKO-UHFFFAOYSA-N 1 1 323.397 -1.125 20 0 DAADMO COC(=O)C1(CS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000601392843 372941310 /nfs/dbraw/zinc/94/13/10/372941310.db2.gz UMAIEBJJAHPJRQ-LBPRGKRZSA-N 1 1 306.384 -1.074 20 0 DAADMO Cn1cnc(S(=O)(=O)NCC(=O)NCC(F)(F)C[NH3+])c1 ZINC000190292554 372944067 /nfs/dbraw/zinc/94/40/67/372944067.db2.gz FKNNAJIWMPBJDN-UHFFFAOYSA-N 1 1 311.314 -1.591 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C1 ZINC000364645263 372949979 /nfs/dbraw/zinc/94/99/79/372949979.db2.gz JPQSNPONYDBBGG-TUAOUCFPSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645263 372949994 /nfs/dbraw/zinc/94/99/94/372949994.db2.gz JPQSNPONYDBBGG-TUAOUCFPSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645263 372950009 /nfs/dbraw/zinc/95/00/09/372950009.db2.gz JPQSNPONYDBBGG-TUAOUCFPSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)C1 ZINC000364645263 372950020 /nfs/dbraw/zinc/95/00/20/372950020.db2.gz JPQSNPONYDBBGG-TUAOUCFPSA-N 1 1 315.370 -1.705 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000593061545 372981002 /nfs/dbraw/zinc/98/10/02/372981002.db2.gz RSGKJBSMSGZSCP-OUAUKWLOSA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000593061545 372981010 /nfs/dbraw/zinc/98/10/10/372981010.db2.gz RSGKJBSMSGZSCP-OUAUKWLOSA-N 1 1 303.359 -1.071 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592197270 372967492 /nfs/dbraw/zinc/96/74/92/372967492.db2.gz OZMQLKSNKSNXHX-LPEHRKFASA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592197270 372967500 /nfs/dbraw/zinc/96/75/00/372967500.db2.gz OZMQLKSNKSNXHX-LPEHRKFASA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000592210631 372968900 /nfs/dbraw/zinc/96/89/00/372968900.db2.gz ZKMDIPOZMSZREV-AGIUHOORSA-N 1 1 302.371 -1.465 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccnn1C ZINC000592388607 372969448 /nfs/dbraw/zinc/96/94/48/372969448.db2.gz LWGLHTNHHBIODG-VIFPVBQESA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)N1CCOCC1 ZINC000592388971 372970296 /nfs/dbraw/zinc/97/02/96/372970296.db2.gz RKQAJDNYEHLAKE-JTQLQIEISA-N 1 1 307.372 -1.600 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1COCCN1C ZINC000636664297 372971901 /nfs/dbraw/zinc/97/19/01/372971901.db2.gz RMVHDMIAVOTVNY-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000593069413 372980501 /nfs/dbraw/zinc/98/05/01/372980501.db2.gz RSGKJBSMSGZSCP-GMTAPVOTSA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000593069413 372980509 /nfs/dbraw/zinc/98/05/09/372980509.db2.gz RSGKJBSMSGZSCP-GMTAPVOTSA-N 1 1 303.359 -1.071 20 0 DAADMO COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000595334868 372999122 /nfs/dbraw/zinc/99/91/22/372999122.db2.gz ARYOMMOXFKGSCR-TUAOUCFPSA-N 1 1 300.355 -1.032 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000595445346 373001829 /nfs/dbraw/zinc/00/18/29/373001829.db2.gz LUTKPGJZYNQYIA-QJPTWQEYSA-N 1 1 300.355 -1.032 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000595951942 373003011 /nfs/dbraw/zinc/00/30/11/373003011.db2.gz WBBYJDFRFXLJKX-CMPLNLGQSA-N 1 1 312.370 -1.700 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595957236 373005556 /nfs/dbraw/zinc/00/55/56/373005556.db2.gz RPKNRIDKADICMO-PWSUYJOCSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595957236 373005561 /nfs/dbraw/zinc/00/55/61/373005561.db2.gz RPKNRIDKADICMO-PWSUYJOCSA-N 1 1 315.370 -1.027 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC[N@@H+](C)C1 ZINC000593452689 372983227 /nfs/dbraw/zinc/98/32/27/372983227.db2.gz CILGEYYHGIKRIO-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)nn1 ZINC000593854433 372984805 /nfs/dbraw/zinc/98/48/05/372984805.db2.gz KCILZMGQBLXCQU-SNVBAGLBSA-N 1 1 309.326 -1.658 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)nn1 ZINC000593854433 372984810 /nfs/dbraw/zinc/98/48/10/372984810.db2.gz KCILZMGQBLXCQU-SNVBAGLBSA-N 1 1 309.326 -1.658 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016456 372987298 /nfs/dbraw/zinc/98/72/98/372987298.db2.gz XMKYRKYXQPJPAL-UPJWGTAASA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016456 372987304 /nfs/dbraw/zinc/98/73/04/372987304.db2.gz XMKYRKYXQPJPAL-UPJWGTAASA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016456 372987314 /nfs/dbraw/zinc/98/73/14/372987314.db2.gz XMKYRKYXQPJPAL-UPJWGTAASA-N 1 1 304.387 -1.219 20 0 DAADMO COC(=O)[C@@H](C)CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478934 372991596 /nfs/dbraw/zinc/99/15/96/372991596.db2.gz XSQXWLYDIRLWLJ-GARJFASQSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@H+](C)C1 ZINC000597771692 373027498 /nfs/dbraw/zinc/02/74/98/373027498.db2.gz JFKOLGSVALGBQR-JTQLQIEISA-N 1 1 322.369 -1.472 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[N@@H+](C)C1 ZINC000597771692 373027505 /nfs/dbraw/zinc/02/75/05/373027505.db2.gz JFKOLGSVALGBQR-JTQLQIEISA-N 1 1 322.369 -1.472 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000598602636 373031798 /nfs/dbraw/zinc/03/17/98/373031798.db2.gz CCUNFRJGPBUBJX-VIFPVBQESA-N 1 1 317.371 -1.139 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000598602636 373031806 /nfs/dbraw/zinc/03/18/06/373031806.db2.gz CCUNFRJGPBUBJX-VIFPVBQESA-N 1 1 317.371 -1.139 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000599306846 373039887 /nfs/dbraw/zinc/03/98/87/373039887.db2.gz LYBXOUWSPJXNBD-OLZOCXBDSA-N 1 1 304.387 -1.075 20 0 DAADMO CCOC(=O)CNC(=O)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000599059467 373035001 /nfs/dbraw/zinc/03/50/01/373035001.db2.gz HKGIMGQJCBQSGX-UHFFFAOYSA-N 1 1 323.357 -1.408 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000599310169 373038418 /nfs/dbraw/zinc/03/84/18/373038418.db2.gz MYRUPFQIWSYWFK-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000599297132 373038857 /nfs/dbraw/zinc/03/88/57/373038857.db2.gz RYWLWFDVCFHRAU-MNOVXSKESA-N 1 1 323.415 -1.194 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000599324652 373038893 /nfs/dbraw/zinc/03/88/93/373038893.db2.gz UATKWFBNBACLGA-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO COC(=O)[C@@H]1CN(c2cc(=O)n(C)c(=O)n2C)CC[N@@H+](C)C1 ZINC000596273942 373013614 /nfs/dbraw/zinc/01/36/14/373013614.db2.gz XMELZCXOMRWDQC-JTQLQIEISA-N 1 1 310.354 -1.375 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563177 373048594 /nfs/dbraw/zinc/04/85/94/373048594.db2.gz ALCVXVVNPMRACQ-TVQRCGJNSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563177 373048599 /nfs/dbraw/zinc/04/85/99/373048599.db2.gz ALCVXVVNPMRACQ-TVQRCGJNSA-N 1 1 302.327 -1.072 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)NCC(=O)OC)CCO1 ZINC000599539337 373048710 /nfs/dbraw/zinc/04/87/10/373048710.db2.gz BIOLIETUYMAIOL-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)NCC(=O)OC)CCO1 ZINC000599539337 373048712 /nfs/dbraw/zinc/04/87/12/373048712.db2.gz BIOLIETUYMAIOL-SNVBAGLBSA-N 1 1 316.358 -1.705 20 0 DAADMO CCOC(=O)[C@](C)(O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000354841971 373058322 /nfs/dbraw/zinc/05/83/22/373058322.db2.gz ACNNXPAPSNPNEE-TZMCWYRMSA-N 1 1 304.387 -1.075 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H](C)C[N@H+]1CCO ZINC000627777122 373060397 /nfs/dbraw/zinc/06/03/97/373060397.db2.gz QAPSUFCNEGMIJJ-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)c1ccn(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000603143048 373065838 /nfs/dbraw/zinc/06/58/38/373065838.db2.gz AYQFOOBRHCFNFQ-WDEREUQCSA-N 1 1 308.338 -1.053 20 0 DAADMO COC(=O)c1ccn(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000603137618 373066958 /nfs/dbraw/zinc/06/69/58/373066958.db2.gz AONNCDBBXHHULY-LLVKDONJSA-N 1 1 308.338 -1.053 20 0 DAADMO COC(=O)c1ccn(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000603137618 373066967 /nfs/dbraw/zinc/06/69/67/373066967.db2.gz AONNCDBBXHHULY-LLVKDONJSA-N 1 1 308.338 -1.053 20 0 DAADMO C[NH+]1CCN(CC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000599324651 373040352 /nfs/dbraw/zinc/04/03/52/373040352.db2.gz UATKWFBNBACLGA-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599562858 373044475 /nfs/dbraw/zinc/04/44/75/373044475.db2.gz IRTWUEICXOWEGX-CYBMUJFWSA-N 1 1 302.327 -1.070 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000599570295 373047871 /nfs/dbraw/zinc/04/78/71/373047871.db2.gz WEJGESZNLVVKMC-TZMCWYRMSA-N 1 1 302.371 -1.057 20 0 DAADMO O=C(CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000637018588 373073759 /nfs/dbraw/zinc/07/37/59/373073759.db2.gz KNYJYUKKZAFGFM-LLVKDONJSA-N 1 1 300.359 -1.789 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000604721849 373076697 /nfs/dbraw/zinc/07/66/97/373076697.db2.gz WNJXZTMETLHELE-SECBINFHSA-N 1 1 312.326 -1.756 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000604721849 373076708 /nfs/dbraw/zinc/07/67/08/373076708.db2.gz WNJXZTMETLHELE-SECBINFHSA-N 1 1 312.326 -1.756 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000604720103 373078044 /nfs/dbraw/zinc/07/80/44/373078044.db2.gz GDRVWGCAOZZCFO-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000604720103 373078055 /nfs/dbraw/zinc/07/80/55/373078055.db2.gz GDRVWGCAOZZCFO-GFCCVEGCSA-N 1 1 319.427 -1.446 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000637105624 373079217 /nfs/dbraw/zinc/07/92/17/373079217.db2.gz NUKULLLTBGFCEM-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COCCN2C)CC1 ZINC000637108114 373079770 /nfs/dbraw/zinc/07/97/70/373079770.db2.gz NDABUXWRCDUJKO-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000637127282 373081576 /nfs/dbraw/zinc/08/15/76/373081576.db2.gz FMLKZWNPTOKQLI-MNOVXSKESA-N 1 1 322.431 -1.104 20 0 DAADMO C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000637127282 373081582 /nfs/dbraw/zinc/08/15/82/373081582.db2.gz FMLKZWNPTOKQLI-MNOVXSKESA-N 1 1 322.431 -1.104 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000365280456 373082167 /nfs/dbraw/zinc/08/21/67/373082167.db2.gz AJKUPRPTHKMORZ-JTQLQIEISA-N 1 1 321.399 -1.321 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000365280460 373083063 /nfs/dbraw/zinc/08/30/63/373083063.db2.gz AJKUPRPTHKMORZ-SNVBAGLBSA-N 1 1 321.399 -1.321 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000637189762 373085549 /nfs/dbraw/zinc/08/55/49/373085549.db2.gz YFNTZMBVFHTKQY-SNVBAGLBSA-N 1 1 307.420 -1.224 20 0 DAADMO Cn1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000623076467 373087204 /nfs/dbraw/zinc/08/72/04/373087204.db2.gz RBPOYQNSTATPCP-UHFFFAOYSA-N 1 1 313.383 -1.521 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000637379076 373092708 /nfs/dbraw/zinc/09/27/08/373092708.db2.gz AURFHFYLWGCUMH-LLVKDONJSA-N 1 1 319.431 -1.128 20 0 DAADMO CC(C)[C@H](CNC(=O)NCCS(N)(=O)=O)[NH+]1CCOCC1 ZINC000337575799 373104943 /nfs/dbraw/zinc/10/49/43/373104943.db2.gz WMCHIAQFKACBBS-NSHDSACASA-N 1 1 322.431 -1.069 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000337660969 373105518 /nfs/dbraw/zinc/10/55/18/373105518.db2.gz LKXPEXFSOUQEAW-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(CCOCCO)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000337701800 373107583 /nfs/dbraw/zinc/10/75/83/373107583.db2.gz XBRDZTDHMHVSIS-UHFFFAOYSA-N 1 1 316.402 -1.199 20 0 DAADMO O=C(CNC(=O)c1ncccc1[O-])NCCN1CCOCC1 ZINC000337940454 373110563 /nfs/dbraw/zinc/11/05/63/373110563.db2.gz MVBWFKJEXUOMFH-UHFFFAOYSA-N 1 1 308.338 -1.035 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@H](O)CN1CCOCC1 ZINC000338403933 373113586 /nfs/dbraw/zinc/11/35/86/373113586.db2.gz APQRHVBMTNZRTC-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@H](O)CN1CCOCC1 ZINC000338403933 373113593 /nfs/dbraw/zinc/11/35/93/373113593.db2.gz APQRHVBMTNZRTC-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO C[C@H](NC(=O)N(CCO)CCOCCO)[C@@H]1C[N@H+](C)CCO1 ZINC000636949598 373071179 /nfs/dbraw/zinc/07/11/79/373071179.db2.gz INTBNRAXPFGDAO-STQMWFEESA-N 1 1 319.402 -1.282 20 0 DAADMO C[C@H](NC(=O)N(CCO)CCOCCO)[C@@H]1C[N@@H+](C)CCO1 ZINC000636949598 373071185 /nfs/dbraw/zinc/07/11/85/373071185.db2.gz INTBNRAXPFGDAO-STQMWFEESA-N 1 1 319.402 -1.282 20 0 DAADMO CCC[N@@H+](CCO)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000052928491 373154210 /nfs/dbraw/zinc/15/42/10/373154210.db2.gz URBDXABOOOTQBD-UHFFFAOYSA-N 1 1 314.430 -1.077 20 0 DAADMO NC(=O)c1ccc(N2CCN(c3nc(N)nc(N)[nH+]3)CC2)nc1 ZINC000623869262 373155048 /nfs/dbraw/zinc/15/50/48/373155048.db2.gz UBILFICHPDUFPT-UHFFFAOYSA-N 1 1 315.341 -1.483 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000052692553 373155623 /nfs/dbraw/zinc/15/56/23/373155623.db2.gz FTUYAKOTWRJYEY-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000052692553 373155631 /nfs/dbraw/zinc/15/56/31/373155631.db2.gz FTUYAKOTWRJYEY-JTQLQIEISA-N 1 1 318.399 -1.201 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000263702666 373158059 /nfs/dbraw/zinc/15/80/59/373158059.db2.gz BWYJQVMNZSYOGW-AATRIKPKSA-N 1 1 324.381 -1.208 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CN2CCOCC2=O)CC[N@@H+](C)C1 ZINC000413909228 373158133 /nfs/dbraw/zinc/15/81/33/373158133.db2.gz VSJOTMIAKPCCJL-LLVKDONJSA-N 1 1 313.354 -1.592 20 0 DAADMO CN1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000607231000 373161703 /nfs/dbraw/zinc/16/17/03/373161703.db2.gz SKGZXCKYWVCRDL-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO O=S(=O)([C@@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376249 373163373 /nfs/dbraw/zinc/16/33/73/373163373.db2.gz IUZXKIDMUUDQRK-FRRDWIJNSA-N 1 1 320.411 -1.128 20 0 DAADMO O=S(=O)([C@@H]1CCC[N@H+]([C@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376249 373163378 /nfs/dbraw/zinc/16/33/78/373163378.db2.gz IUZXKIDMUUDQRK-FRRDWIJNSA-N 1 1 320.411 -1.128 20 0 DAADMO COC(=O)[C@H](NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)O ZINC000565422277 373123807 /nfs/dbraw/zinc/12/38/07/373123807.db2.gz NBTXLTDZOWLLLH-RXGFPQBGSA-N 1 1 304.387 -1.032 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CC1 ZINC000152041324 373126152 /nfs/dbraw/zinc/12/61/52/373126152.db2.gz IFOILQSKTOEHBX-UHFFFAOYSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC(=O)N1C ZINC000410671005 373126954 /nfs/dbraw/zinc/12/69/54/373126954.db2.gz QRQFNEBAKJOPOE-SDDRHHMPSA-N 1 1 308.382 -1.162 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000339580079 373128353 /nfs/dbraw/zinc/12/83/53/373128353.db2.gz DQVRWOOCTCPBFQ-ZDUSSCGKSA-N 1 1 313.446 -1.194 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC(=O)N1C ZINC000410671004 373128726 /nfs/dbraw/zinc/12/87/26/373128726.db2.gz QRQFNEBAKJOPOE-GRYCIOLGSA-N 1 1 308.382 -1.162 20 0 DAADMO C[NH+]1CCN(C(=O)CN(CCNS(C)(=O)=O)C2CC2)CC1 ZINC000332119049 373130957 /nfs/dbraw/zinc/13/09/57/373130957.db2.gz HCUNMIMGSXEELI-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000534267997 373131840 /nfs/dbraw/zinc/13/18/40/373131840.db2.gz FPZAQVJBVXHRRE-HNNXBMFYSA-N 1 1 323.441 -1.343 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398465 373137572 /nfs/dbraw/zinc/13/75/72/373137572.db2.gz NJMQYRYXVQRCTF-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398465 373137576 /nfs/dbraw/zinc/13/75/76/373137576.db2.gz NJMQYRYXVQRCTF-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398465 373137580 /nfs/dbraw/zinc/13/75/80/373137580.db2.gz NJMQYRYXVQRCTF-UPJWGTAASA-N 1 1 310.398 -1.166 20 0 DAADMO COC(=O)C[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000563619771 373139804 /nfs/dbraw/zinc/13/98/04/373139804.db2.gz HDRWHEHNSNUMNK-MNOVXSKESA-N 1 1 314.386 -1.420 20 0 DAADMO COC(=O)C[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000563619771 373139808 /nfs/dbraw/zinc/13/98/08/373139808.db2.gz HDRWHEHNSNUMNK-MNOVXSKESA-N 1 1 314.386 -1.420 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000571174622 373141237 /nfs/dbraw/zinc/14/12/37/373141237.db2.gz KUHHRWAAYXIALS-SECBINFHSA-N 1 1 321.403 -2.504 20 0 DAADMO CC(C)[C@H](CNC(=O)C(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC000340000630 373145065 /nfs/dbraw/zinc/14/50/65/373145065.db2.gz MRTFYKWXWCATLI-ZDUSSCGKSA-N 1 1 314.430 -1.175 20 0 DAADMO C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)N1CCNCC1=O ZINC000638222669 373210624 /nfs/dbraw/zinc/21/06/24/373210624.db2.gz OTFXAYGETOLTCR-NEPJUHHUSA-N 1 1 320.397 -1.287 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174518 373210656 /nfs/dbraw/zinc/21/06/56/373210656.db2.gz PSQZWMNANUYWIJ-NSHDSACASA-N 1 1 315.395 -1.546 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174513 373210820 /nfs/dbraw/zinc/21/08/20/373210820.db2.gz PSQZWMNANUYWIJ-LLVKDONJSA-N 1 1 315.395 -1.546 20 0 DAADMO C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)N1CCNCC1=O ZINC000638222676 373212020 /nfs/dbraw/zinc/21/20/20/373212020.db2.gz OTFXAYGETOLTCR-NWDGAFQWSA-N 1 1 320.397 -1.287 20 0 DAADMO O=C(c1cccnn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349242 373213392 /nfs/dbraw/zinc/21/33/92/373213392.db2.gz IOPPWOINMNYXSG-UHFFFAOYSA-N 1 1 311.367 -1.464 20 0 DAADMO COC1CC(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349199 373215029 /nfs/dbraw/zinc/21/50/29/373215029.db2.gz IEIHKZBYIBYSJI-UHFFFAOYSA-N 1 1 317.411 -1.143 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)N1CCNCC1=O ZINC000638423894 373219661 /nfs/dbraw/zinc/21/96/61/373219661.db2.gz CMAUPOGTUCMLIB-QWHCGFSZSA-N 1 1 309.414 -1.687 20 0 DAADMO O=C([C@H]1CNCCO1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476447 373221087 /nfs/dbraw/zinc/22/10/87/373221087.db2.gz HYIUMZCKJQVATE-GFCCVEGCSA-N 1 1 311.386 -1.856 20 0 DAADMO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638480627 373221261 /nfs/dbraw/zinc/22/12/61/373221261.db2.gz WXMIABAAGLGDRJ-ITGUQSILSA-N 1 1 307.398 -1.379 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NCC[N@H+]2CCCOCC2)C1=O ZINC000275909996 373181410 /nfs/dbraw/zinc/18/14/10/373181410.db2.gz SYOZVMOHOLOOCV-UHFFFAOYSA-N 1 1 312.326 -1.755 20 0 DAADMO O=C(CN1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000637814159 373183470 /nfs/dbraw/zinc/18/34/70/373183470.db2.gz HUBDWRNDBVGCLW-AWEZNQCLSA-N 1 1 323.441 -1.438 20 0 DAADMO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000637813066 373183628 /nfs/dbraw/zinc/18/36/28/373183628.db2.gz IYOUSIOOBOAGSZ-XQQFMLRXSA-N 1 1 310.398 -1.227 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628838 373187018 /nfs/dbraw/zinc/18/70/18/373187018.db2.gz GHISCPQVHGOBRV-GEEKYZPCSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000278628838 373187029 /nfs/dbraw/zinc/18/70/29/373187029.db2.gz GHISCPQVHGOBRV-GEEKYZPCSA-N 1 1 308.378 -1.239 20 0 DAADMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714736 373189170 /nfs/dbraw/zinc/18/91/70/373189170.db2.gz KJBBNYVKBBQBNK-UPJWGTAASA-N 1 1 321.381 -1.449 20 0 DAADMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714736 373189178 /nfs/dbraw/zinc/18/91/78/373189178.db2.gz KJBBNYVKBBQBNK-UPJWGTAASA-N 1 1 321.381 -1.449 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789393 373189230 /nfs/dbraw/zinc/18/92/30/373189230.db2.gz OAKYOVSTIYZPRB-GEEKYZPCSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789393 373189244 /nfs/dbraw/zinc/18/92/44/373189244.db2.gz OAKYOVSTIYZPRB-GEEKYZPCSA-N 1 1 308.378 -1.239 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H](O)[C@@H](O)C1)c(=O)n2C ZINC000278772112 373190327 /nfs/dbraw/zinc/19/03/27/373190327.db2.gz NEALFUADECATPK-AOOOYVTPSA-N 1 1 323.353 -2.139 20 0 DAADMO O[C@@H]1C[NH+](Cc2ccccc2CN2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789402 373190448 /nfs/dbraw/zinc/19/04/48/373190448.db2.gz OAKYOVSTIYZPRB-RUPPMWDTSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000278789402 373190451 /nfs/dbraw/zinc/19/04/51/373190451.db2.gz OAKYOVSTIYZPRB-RUPPMWDTSA-N 1 1 308.378 -1.239 20 0 DAADMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714729 373191173 /nfs/dbraw/zinc/19/11/73/373191173.db2.gz KJBBNYVKBBQBNK-RWMBFGLXSA-N 1 1 321.381 -1.449 20 0 DAADMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278714729 373191180 /nfs/dbraw/zinc/19/11/80/373191180.db2.gz KJBBNYVKBBQBNK-RWMBFGLXSA-N 1 1 321.381 -1.449 20 0 DAADMO Cn1cnn(CCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1=O ZINC000340047702 373192852 /nfs/dbraw/zinc/19/28/52/373192852.db2.gz AYNHQLUSTXWZHA-NSHDSACASA-N 1 1 324.385 -1.572 20 0 DAADMO Cn1cnn(CCC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1=O ZINC000340047694 373193150 /nfs/dbraw/zinc/19/31/50/373193150.db2.gz AYNHQLUSTXWZHA-LLVKDONJSA-N 1 1 324.385 -1.572 20 0 DAADMO CC[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000281257191 373198879 /nfs/dbraw/zinc/19/88/79/373198879.db2.gz OUFQWIQUFKVNKC-UHFFFAOYSA-N 1 1 301.372 -1.305 20 0 DAADMO C[C@@H](C(=O)NCC[NH+]1CCSCC1)N1CCNCC1=O ZINC000638069884 373205365 /nfs/dbraw/zinc/20/53/65/373205365.db2.gz UVPZZSBKEIIJHO-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340161718 373205675 /nfs/dbraw/zinc/20/56/75/373205675.db2.gz AVDDPIGQKTXBQB-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340161721 373206081 /nfs/dbraw/zinc/20/60/81/373206081.db2.gz AVDDPIGQKTXBQB-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638073660 373206252 /nfs/dbraw/zinc/20/62/52/373206252.db2.gz ZZBKAFTVTIWYHZ-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)[C@H](C)N1CCNCC1=O ZINC000638073662 373206929 /nfs/dbraw/zinc/20/69/29/373206929.db2.gz ZZBKAFTVTIWYHZ-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c(=O)n(C)c1=O ZINC000639369677 373271116 /nfs/dbraw/zinc/27/11/16/373271116.db2.gz WXBGXNSIQDCDMM-GASCZTMLSA-N 1 1 320.349 -1.431 20 0 DAADMO CN1C[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000532254199 373272790 /nfs/dbraw/zinc/27/27/90/373272790.db2.gz DJFKUYHHMXTCBR-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NCC(=O)N(C)C ZINC000340464018 373230411 /nfs/dbraw/zinc/23/04/11/373230411.db2.gz HCBXZIMOAYFZEX-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO CC(C)[NH+]1CC(NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000297033830 373236399 /nfs/dbraw/zinc/23/63/99/373236399.db2.gz JBXZCVKGTIZTPB-UHFFFAOYSA-N 1 1 315.399 -1.093 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299545448 373238367 /nfs/dbraw/zinc/23/83/67/373238367.db2.gz IEKDANDAMDRIGT-RMLUDKJBSA-N 1 1 323.353 -1.011 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299545448 373238369 /nfs/dbraw/zinc/23/83/69/373238369.db2.gz IEKDANDAMDRIGT-RMLUDKJBSA-N 1 1 323.353 -1.011 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC(CO)CO)C1 ZINC000341173798 373241274 /nfs/dbraw/zinc/24/12/74/373241274.db2.gz WANPMCWMSSNMPL-JTQLQIEISA-N 1 1 302.375 -1.774 20 0 DAADMO CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H](CO)C(N)=O)n2C ZINC000341729928 373243176 /nfs/dbraw/zinc/24/31/76/373243176.db2.gz MXKVRVIKLAXRHK-MRVPVSSYSA-N 1 1 306.326 -1.390 20 0 DAADMO CN1C(=O)N[C@]2(CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)C1=O ZINC000328688990 373252647 /nfs/dbraw/zinc/25/26/47/373252647.db2.gz QGDVQYCJAJBGNG-HNNXBMFYSA-N 1 1 323.397 -1.019 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NCC(F)(F)C[NH3+])cn1 ZINC000190236007 373259000 /nfs/dbraw/zinc/25/90/00/373259000.db2.gz IKVINTVBCCZMIW-UHFFFAOYSA-N 1 1 311.314 -1.591 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000248435955 373261797 /nfs/dbraw/zinc/26/17/97/373261797.db2.gz FYEOEYDKASAWPV-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cnccn1 ZINC000535721163 373267828 /nfs/dbraw/zinc/26/78/28/373267828.db2.gz UGWQJCOLIJYQBF-ZDUSSCGKSA-N 1 1 318.381 -1.288 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639852004 373287960 /nfs/dbraw/zinc/28/79/60/373287960.db2.gz QPTLEZHQBTZKJU-NWDGAFQWSA-N 1 1 310.416 -1.240 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639852004 373287962 /nfs/dbraw/zinc/28/79/62/373287962.db2.gz QPTLEZHQBTZKJU-NWDGAFQWSA-N 1 1 310.416 -1.240 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](Cn2ccnn2)C1 ZINC000639854555 373288383 /nfs/dbraw/zinc/28/83/83/373288383.db2.gz HVZORXVPAHRJNG-ZIAGYGMSSA-N 1 1 313.402 -1.082 20 0 DAADMO O[C@H](CN1CCOCC1)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639862274 373288832 /nfs/dbraw/zinc/28/88/32/373288832.db2.gz ZHZFKFYKUIMCIA-ZIAGYGMSSA-N 1 1 311.386 -1.328 20 0 DAADMO O[C@H](CN1CCOCC1)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639862274 373288839 /nfs/dbraw/zinc/28/88/39/373288839.db2.gz ZHZFKFYKUIMCIA-ZIAGYGMSSA-N 1 1 311.386 -1.328 20 0 DAADMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639862268 373289281 /nfs/dbraw/zinc/28/92/81/373289281.db2.gz ZHZFKFYKUIMCIA-KBPBESRZSA-N 1 1 311.386 -1.328 20 0 DAADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639862268 373289291 /nfs/dbraw/zinc/28/92/91/373289291.db2.gz ZHZFKFYKUIMCIA-KBPBESRZSA-N 1 1 311.386 -1.328 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)C1 ZINC000639850684 373289569 /nfs/dbraw/zinc/28/95/69/373289569.db2.gz FTJDWDYJWZJENN-VNHYZAJKSA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 ZINC000626517493 373296149 /nfs/dbraw/zinc/29/61/49/373296149.db2.gz NPDIFWOSVIVYLK-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1cn[nH]c1=O)N1CC[NH+](C)CC1 ZINC000180576446 373301642 /nfs/dbraw/zinc/30/16/42/373301642.db2.gz RNFCEVZETBICQL-GFCCVEGCSA-N 1 1 310.402 -1.040 20 0 DAADMO Cn1cnn(CC(=O)NCC2CCN(CC[NH+](C)C)CC2)c1=O ZINC000181884831 373301869 /nfs/dbraw/zinc/30/18/69/373301869.db2.gz QUWLRPWATMPZHA-UHFFFAOYSA-N 1 1 324.429 -1.028 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943617 373305009 /nfs/dbraw/zinc/30/50/09/373305009.db2.gz BSSIVWXUKSOIKV-TXEJJXNPSA-N 1 1 303.384 -1.138 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943535 373305135 /nfs/dbraw/zinc/30/51/35/373305135.db2.gz AKOYBZLTKUZTCG-GAQJKIJGSA-N 1 1 316.379 -1.217 20 0 DAADMO Cc1nnc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1C ZINC000639972732 373307290 /nfs/dbraw/zinc/30/72/90/373307290.db2.gz BFSLPKZGEAIKQA-AWEZNQCLSA-N 1 1 324.429 -1.061 20 0 DAADMO Cn1c(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc(=O)n(C)c1=O ZINC000639953521 373307323 /nfs/dbraw/zinc/30/73/23/373307323.db2.gz MPAIVXYQIYIUEV-GASCZTMLSA-N 1 1 320.349 -1.431 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)C(=O)N(C)C ZINC000639947609 373307412 /nfs/dbraw/zinc/30/74/12/373307412.db2.gz WBYYVAHHDOTQIO-ULKVUYOBSA-N 1 1 324.381 -1.436 20 0 DAADMO CN(CCN1C(=O)CN(C)C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640059513 373310076 /nfs/dbraw/zinc/31/00/76/373310076.db2.gz BCKUINROFXVCRK-UHFFFAOYSA-N 1 1 311.386 -1.414 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000640085387 373311345 /nfs/dbraw/zinc/31/13/45/373311345.db2.gz FMKHABGWOVDPGD-UWVGGRQHSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000640085387 373311356 /nfs/dbraw/zinc/31/13/56/373311356.db2.gz FMKHABGWOVDPGD-UWVGGRQHSA-N 1 1 318.399 -1.060 20 0 DAADMO CNC(=O)NC[C@@H]1COCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000640126308 373312080 /nfs/dbraw/zinc/31/20/80/373312080.db2.gz WMOVIRZIGBKSFH-GFCCVEGCSA-N 1 1 313.402 -1.610 20 0 DAADMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCOCC1 ZINC000104102342 373312613 /nfs/dbraw/zinc/31/26/13/373312613.db2.gz VPIKKURJBNTESZ-UHFFFAOYSA-N 1 1 308.448 -1.011 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419352003 373319961 /nfs/dbraw/zinc/31/99/61/373319961.db2.gz IGRLPCFVIDQCAN-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419219805 373320519 /nfs/dbraw/zinc/32/05/19/373320519.db2.gz HXBSYQUWJQSXSC-UHFFFAOYSA-N 1 1 323.441 -1.224 20 0 DAADMO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN(C)CCOC ZINC000419365441 373321000 /nfs/dbraw/zinc/32/10/00/373321000.db2.gz XKSBLMQYJGEOPS-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCN1CCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419548443 373321151 /nfs/dbraw/zinc/32/11/51/373321151.db2.gz SYKXFBPYMRRUMQ-MJBXVCDLSA-N 1 1 324.425 -1.109 20 0 DAADMO C[NH+](C)CCOCCNC(=O)C(=O)N1CCNC(C)(C)C1 ZINC000419767534 373323481 /nfs/dbraw/zinc/32/34/81/373323481.db2.gz BVDWTBRNCDRENJ-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)N1CCNC(=O)C1 ZINC000075890072 373325691 /nfs/dbraw/zinc/32/56/91/373325691.db2.gz GJPUDDAOPGGUAH-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CN1CCOCC1)N1CCNC(=O)C1 ZINC000075890072 373325715 /nfs/dbraw/zinc/32/57/15/373325715.db2.gz GJPUDDAOPGGUAH-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611217026 373326817 /nfs/dbraw/zinc/32/68/17/373326817.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611217026 373326820 /nfs/dbraw/zinc/32/68/20/373326820.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611217026 373326823 /nfs/dbraw/zinc/32/68/23/373326823.db2.gz WAQBQOIJAVHKNI-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320942457 373282554 /nfs/dbraw/zinc/28/25/54/373282554.db2.gz UAYZVWJIYAJNHM-QMTHXVAHSA-N 1 1 315.370 -1.388 20 0 DAADMO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000320942457 373282560 /nfs/dbraw/zinc/28/25/60/373282560.db2.gz UAYZVWJIYAJNHM-QMTHXVAHSA-N 1 1 315.370 -1.388 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114676652 373283860 /nfs/dbraw/zinc/28/38/60/373283860.db2.gz DOPKZIBCMZIXPL-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCNCC3)CC2)C1 ZINC000643513661 373374133 /nfs/dbraw/zinc/37/41/33/373374133.db2.gz XGTPOEGZOVYZFR-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCNCC3)CC2)C1 ZINC000643513661 373374142 /nfs/dbraw/zinc/37/41/42/373374142.db2.gz XGTPOEGZOVYZFR-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000628797952 373376414 /nfs/dbraw/zinc/37/64/14/373376414.db2.gz GLXCBJAZPYMMHV-NSHDSACASA-N 1 1 302.400 -1.864 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000385605399 373332469 /nfs/dbraw/zinc/33/24/69/373332469.db2.gz HOBBTWLJBCMRNZ-QWHCGFSZSA-N 1 1 321.443 -1.355 20 0 DAADMO C[NH2+][C@@H](C(=O)NCCC(=O)N1CCN(C)CC1)c1cnn(C)c1 ZINC000262309082 373335126 /nfs/dbraw/zinc/33/51/26/373335126.db2.gz CPMFJBJJIHOWTO-CQSZACIVSA-N 1 1 322.413 -1.039 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[S@](=O)C2)CC1 ZINC000332951591 373342797 /nfs/dbraw/zinc/34/27/97/373342797.db2.gz YBVHKGBPBXKXQC-MQJDWESPSA-N 1 1 316.427 -1.029 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC000612016434 373346085 /nfs/dbraw/zinc/34/60/85/373346085.db2.gz OOUUHYOXJOMBMT-NXEZZACHSA-N 1 1 303.384 -1.548 20 0 DAADMO O=C([C@@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424023179 373347454 /nfs/dbraw/zinc/34/74/54/373347454.db2.gz FFNJSWBHHWYILZ-SNVBAGLBSA-N 1 1 303.384 -1.531 20 0 DAADMO O=C(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCCO ZINC000533314417 373356554 /nfs/dbraw/zinc/35/65/54/373356554.db2.gz MCEJHAIRDLWWLT-INIZCTEOSA-N 1 1 321.377 -1.152 20 0 DAADMO CN1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)NC1=O ZINC000612524362 373359039 /nfs/dbraw/zinc/35/90/39/373359039.db2.gz VGAHNPSLCFLLLU-NEPJUHHUSA-N 1 1 323.397 -1.225 20 0 DAADMO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000612544018 373359229 /nfs/dbraw/zinc/35/92/29/373359229.db2.gz VFSWUKZZWSGQQT-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000612544018 373359236 /nfs/dbraw/zinc/35/92/36/373359236.db2.gz VFSWUKZZWSGQQT-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)NC1=O ZINC000612524364 373359400 /nfs/dbraw/zinc/35/94/00/373359400.db2.gz VGAHNPSLCFLLLU-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CCn1nccc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000612822186 373361513 /nfs/dbraw/zinc/36/15/13/373361513.db2.gz YHLJZQLMNXVEJI-QWHCGFSZSA-N 1 1 321.381 -1.203 20 0 DAADMO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000537311758 373364984 /nfs/dbraw/zinc/36/49/84/373364984.db2.gz RNEPXINXLXJSQA-VIFPVBQESA-N 1 1 313.383 -1.117 20 0 DAADMO C[C@@H](C(=O)N1CC(NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000628799785 373378748 /nfs/dbraw/zinc/37/87/48/373378748.db2.gz JOJVWYGCFZPGQF-JTQLQIEISA-N 1 1 304.416 -1.618 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)o1 ZINC000629911844 373414369 /nfs/dbraw/zinc/41/43/69/373414369.db2.gz BQFPKGUXETVOHF-VIFPVBQESA-N 1 1 317.367 -1.016 20 0 DAADMO CN(CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)S(C)(=O)=O ZINC000640873397 373418216 /nfs/dbraw/zinc/41/82/16/373418216.db2.gz UZRQUTBYFFWYML-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@@H](CS(=O)(=O)N1CCC[N@H+](CCO)CC1)OC ZINC000641341090 373421639 /nfs/dbraw/zinc/42/16/39/373421639.db2.gz KEFHKAPTXCCENT-LBPRGKRZSA-N 1 1 310.416 -1.022 20 0 DAADMO COC[C@@H](CS(=O)(=O)N1CCC[N@@H+](CCO)CC1)OC ZINC000641341090 373421646 /nfs/dbraw/zinc/42/16/46/373421646.db2.gz KEFHKAPTXCCENT-LBPRGKRZSA-N 1 1 310.416 -1.022 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172576 373383002 /nfs/dbraw/zinc/38/30/02/373383002.db2.gz KHNORGANZKSTIW-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO Cn1cc(NC(=O)N2CC[NH+](CCO)CC2)c(=O)n(C)c1=O ZINC000640333449 373384005 /nfs/dbraw/zinc/38/40/05/373384005.db2.gz OWXURQSUKFPTRN-UHFFFAOYSA-N 1 1 311.342 -1.774 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629172581 373384124 /nfs/dbraw/zinc/38/41/24/373384124.db2.gz KHNORGANZKSTIW-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)o1 ZINC000629175409 373384355 /nfs/dbraw/zinc/38/43/55/373384355.db2.gz BQFPKGUXETVOHF-SECBINFHSA-N 1 1 317.367 -1.016 20 0 DAADMO Cn1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(=O)n(C)c1=O ZINC000640336493 373384501 /nfs/dbraw/zinc/38/45/01/373384501.db2.gz GWFRLFIXTZOUQH-VHSXEESVSA-N 1 1 323.353 -1.633 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cnnn2)cn1 ZINC000629166626 373385040 /nfs/dbraw/zinc/38/50/40/373385040.db2.gz LNIWOXNMTSMPIU-LLVKDONJSA-N 1 1 303.326 -1.146 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000629521822 373389344 /nfs/dbraw/zinc/38/93/44/373389344.db2.gz RZZJTRPLZALDLH-MWLCHTKSSA-N 1 1 320.415 -1.688 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000629521822 373389353 /nfs/dbraw/zinc/38/93/53/373389353.db2.gz RZZJTRPLZALDLH-MWLCHTKSSA-N 1 1 320.415 -1.688 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000629526084 373391186 /nfs/dbraw/zinc/39/11/86/373391186.db2.gz KIIUECHEJNNFCM-MWLCHTKSSA-N 1 1 304.416 -1.067 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(S(=O)(=O)N(C)C)C2)C1 ZINC000629528071 373391996 /nfs/dbraw/zinc/39/19/96/373391996.db2.gz OLZADQZHDKKOME-SNVBAGLBSA-N 1 1 304.416 -1.065 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640475935 373392894 /nfs/dbraw/zinc/39/28/94/373392894.db2.gz GACXXIIRFTXUNG-WFASDCNBSA-N 1 1 310.398 -1.715 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000629539090 373394960 /nfs/dbraw/zinc/39/49/60/373394960.db2.gz YSBWEBIPRJOBDL-JTQLQIEISA-N 1 1 306.388 -2.076 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000629539090 373394965 /nfs/dbraw/zinc/39/49/65/373394965.db2.gz YSBWEBIPRJOBDL-JTQLQIEISA-N 1 1 306.388 -2.076 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629564006 373396973 /nfs/dbraw/zinc/39/69/73/373396973.db2.gz JBKSJYWFXQNSKF-LLVKDONJSA-N 1 1 316.383 -1.032 20 0 DAADMO O=C(CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCNCC1 ZINC000631902400 373439311 /nfs/dbraw/zinc/43/93/11/373439311.db2.gz YMLVJUZXAGNJJW-UHFFFAOYSA-N 1 1 318.443 -1.177 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000623572019 373443309 /nfs/dbraw/zinc/44/33/09/373443309.db2.gz OIYIXIJHFOEWGC-NSHDSACASA-N 1 1 302.375 -1.150 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000613310019 373446084 /nfs/dbraw/zinc/44/60/84/373446084.db2.gz HWTVVWBEDFMZER-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO CC[NH2+]CCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627072402 373448142 /nfs/dbraw/zinc/44/81/42/373448142.db2.gz XQMZELYREITNOM-UHFFFAOYSA-N 1 1 312.418 -1.052 20 0 DAADMO NC(=O)[C@H]1C[C@H](NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000627156221 373454487 /nfs/dbraw/zinc/45/44/87/373454487.db2.gz AEAQYNITPVTNMF-SRVKXCTJSA-N 1 1 323.397 -1.144 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614505085 373481673 /nfs/dbraw/zinc/48/16/73/373481673.db2.gz JDIFDCVSKAATLJ-NEPJUHHUSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090926 373461794 /nfs/dbraw/zinc/46/17/94/373461794.db2.gz RZZJTRPLZALDLH-GXSJLCMTSA-N 1 1 320.415 -1.688 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(S(=O)(=O)N(C)C)C2)O1 ZINC000630090926 373461802 /nfs/dbraw/zinc/46/18/02/373461802.db2.gz RZZJTRPLZALDLH-GXSJLCMTSA-N 1 1 320.415 -1.688 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000613633425 373462153 /nfs/dbraw/zinc/46/21/53/373462153.db2.gz DRZOZYGTXLUCFP-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000613633425 373462161 /nfs/dbraw/zinc/46/21/61/373462161.db2.gz DRZOZYGTXLUCFP-VIFPVBQESA-N 1 1 304.372 -1.448 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C1 ZINC000613656625 373463599 /nfs/dbraw/zinc/46/35/99/373463599.db2.gz ROKSUUAWDYEHDW-WDEREUQCSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@@H](C)C1 ZINC000613656625 373463603 /nfs/dbraw/zinc/46/36/03/373463603.db2.gz ROKSUUAWDYEHDW-WDEREUQCSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000613655621 373464684 /nfs/dbraw/zinc/46/46/84/373464684.db2.gz LMHAZSAUWYJEKN-MNOVXSKESA-N 1 1 322.431 -1.704 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000614503471 373482751 /nfs/dbraw/zinc/48/27/51/373482751.db2.gz MFDNAKXFFSLYLB-LBPRGKRZSA-N 1 1 308.386 -1.522 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000613693743 373466323 /nfs/dbraw/zinc/46/63/23/373466323.db2.gz HFJTYDBIDNQUFF-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000613693743 373466329 /nfs/dbraw/zinc/46/63/29/373466329.db2.gz HFJTYDBIDNQUFF-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000613692923 373466347 /nfs/dbraw/zinc/46/63/47/373466347.db2.gz AHFWJAVMHWLBTO-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000613692923 373466351 /nfs/dbraw/zinc/46/63/51/373466351.db2.gz AHFWJAVMHWLBTO-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502862 373481951 /nfs/dbraw/zinc/48/19/51/373481951.db2.gz DAAYLGLWMMCJDF-RYUDHWBXSA-N 1 1 319.413 -1.283 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614098745 373475126 /nfs/dbraw/zinc/47/51/26/373475126.db2.gz UIBQXDWSPQVFPX-NXEZZACHSA-N 1 1 308.379 -1.315 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000567173433 373534687 /nfs/dbraw/zinc/53/46/87/373534687.db2.gz ZLFKONDGAXJONC-GFCCVEGCSA-N 1 1 307.416 -1.002 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627266126 373493660 /nfs/dbraw/zinc/49/36/60/373493660.db2.gz UZMHKCZVUKTCSK-SRVKXCTJSA-N 1 1 320.397 -1.122 20 0 DAADMO CCN1CC[NH+](CCC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000540720489 373495647 /nfs/dbraw/zinc/49/56/47/373495647.db2.gz UOPCORFPGQITAJ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000541814146 373498804 /nfs/dbraw/zinc/49/88/04/373498804.db2.gz RLOMUTDQMQYBJG-KGLIPLIRSA-N 1 1 311.430 -1.042 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627267860 373500759 /nfs/dbraw/zinc/50/07/59/373500759.db2.gz TYPKRGBLYQFDGF-UTUOFQBUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000615264387 373507989 /nfs/dbraw/zinc/50/79/89/373507989.db2.gz DUSFXULURIREKB-HBNTYKKESA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000615264381 373508322 /nfs/dbraw/zinc/50/83/22/373508322.db2.gz DUSFXULURIREKB-AXFHLTTASA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927126 373508639 /nfs/dbraw/zinc/50/86/39/373508639.db2.gz YAOPNXPBLPHHLZ-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927126 373508647 /nfs/dbraw/zinc/50/86/47/373508647.db2.gz YAOPNXPBLPHHLZ-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000615276077 373508826 /nfs/dbraw/zinc/50/88/26/373508826.db2.gz PWQUHPUIBBEHKQ-IJLUTSLNSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000615214794 373509322 /nfs/dbraw/zinc/50/93/22/373509322.db2.gz GGASERWPACUWGT-SDDRHHMPSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000615214794 373509330 /nfs/dbraw/zinc/50/93/30/373509330.db2.gz GGASERWPACUWGT-SDDRHHMPSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927127 373509683 /nfs/dbraw/zinc/50/96/83/373509683.db2.gz YAOPNXPBLPHHLZ-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927127 373509687 /nfs/dbraw/zinc/50/96/87/373509687.db2.gz YAOPNXPBLPHHLZ-UWVGGRQHSA-N 1 1 324.381 -1.058 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000615339445 373518347 /nfs/dbraw/zinc/51/83/47/373518347.db2.gz LALIOCGBIMIKKP-UHFFFAOYSA-N 1 1 307.354 -1.040 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000565108803 373518624 /nfs/dbraw/zinc/51/86/24/373518624.db2.gz RTKIOFBAOSAUKM-WDEREUQCSA-N 1 1 304.416 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H](C)[N@@H+]1CCO ZINC000565218078 373521350 /nfs/dbraw/zinc/52/13/50/373521350.db2.gz WGVPZNBRHJLVJY-TXEJJXNPSA-N 1 1 311.386 -1.115 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC000565896676 373523304 /nfs/dbraw/zinc/52/33/04/373523304.db2.gz SEWVCQNEVUWFCQ-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO CS(=O)(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000566385390 373526874 /nfs/dbraw/zinc/52/68/74/373526874.db2.gz DURCBQPZWZZDET-NWDGAFQWSA-N 1 1 316.427 -1.474 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000566385392 373527679 /nfs/dbraw/zinc/52/76/79/373527679.db2.gz DURCBQPZWZZDET-VXGBXAGGSA-N 1 1 316.427 -1.474 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000566411504 373528578 /nfs/dbraw/zinc/52/85/78/373528578.db2.gz GUCOLPGWLHQTEV-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nnnc2CN)C1 ZINC000567046142 373529562 /nfs/dbraw/zinc/52/95/62/373529562.db2.gz SBITWAOEMQFXJU-LLVKDONJSA-N 1 1 311.390 -1.395 20 0 DAADMO C[C@@H](NC(=O)CNC(=O)CN)C(=O)NCC[NH+]1CCCCC1 ZINC000566736818 373529718 /nfs/dbraw/zinc/52/97/18/373529718.db2.gz NWRMMWVXMDGCIC-LLVKDONJSA-N 1 1 313.402 -1.832 20 0 DAADMO C[C@]1(F)C[NH2+]CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000566563092 373529775 /nfs/dbraw/zinc/52/97/75/373529775.db2.gz APQCSJACRKDZCB-LBPRGKRZSA-N 1 1 307.391 -1.123 20 0 DAADMO Cn1cc[nH+]c1N1CCC(NC(=O)CN2CCNCC2=O)CC1 ZINC000567046381 373530466 /nfs/dbraw/zinc/53/04/66/373530466.db2.gz AEOKBQQGEARXEO-UHFFFAOYSA-N 1 1 320.397 -1.063 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(COC)C1=O ZINC000566481806 373531284 /nfs/dbraw/zinc/53/12/84/373531284.db2.gz QHNONACPUABYSH-ZWNOBZJWSA-N 1 1 303.359 -1.118 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)S1(=O)=O ZINC000614514296 373484240 /nfs/dbraw/zinc/48/42/40/373484240.db2.gz LTECVOZRMDQNGD-VXGBXAGGSA-N 1 1 316.427 -1.474 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000529736650 373486516 /nfs/dbraw/zinc/48/65/16/373486516.db2.gz DEXMKBMZAKXKTB-WDEREUQCSA-N 1 1 300.359 -1.527 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000529736650 373486521 /nfs/dbraw/zinc/48/65/21/373486521.db2.gz DEXMKBMZAKXKTB-WDEREUQCSA-N 1 1 300.359 -1.527 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1C(=O)OC ZINC000578012918 373579416 /nfs/dbraw/zinc/57/94/16/373579416.db2.gz MEAUYYNZHOVKKB-AVGNSLFASA-N 1 1 304.387 -1.076 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000578012921 373579894 /nfs/dbraw/zinc/57/98/94/373579894.db2.gz MEAUYYNZHOVKKB-YNEHKIRRSA-N 1 1 304.387 -1.076 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC(N)=O)C(=O)C1 ZINC000578140497 373580093 /nfs/dbraw/zinc/58/00/93/373580093.db2.gz KZVGVUZSBGJTFT-LLVKDONJSA-N 1 1 302.375 -2.445 20 0 DAADMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000577957540 373580494 /nfs/dbraw/zinc/58/04/94/373580494.db2.gz XNQGQIKYJYCLQU-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO C[C@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000577957540 373580502 /nfs/dbraw/zinc/58/05/02/373580502.db2.gz XNQGQIKYJYCLQU-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](CC(N)=O)C2)C1 ZINC000623635662 373581358 /nfs/dbraw/zinc/58/13/58/373581358.db2.gz QIMOPGADXIZROB-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC000579003873 373586458 /nfs/dbraw/zinc/58/64/58/373586458.db2.gz CPIYUJJMCYCYBB-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@H]1C ZINC000579091452 373587271 /nfs/dbraw/zinc/58/72/71/373587271.db2.gz VQCOYLIIHAFZDI-RDBSUJKOSA-N 1 1 313.446 -1.014 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578784352 373587668 /nfs/dbraw/zinc/58/76/68/373587668.db2.gz IOQGVNSXSZQPMC-BJDJZHNGSA-N 1 1 319.427 -1.715 20 0 DAADMO CN(CC(=O)N1CCNCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567584319 373537074 /nfs/dbraw/zinc/53/70/74/373537074.db2.gz LZRMWQJDIOXVGV-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000567908708 373540495 /nfs/dbraw/zinc/54/04/95/373540495.db2.gz HZWVCISZFHHCLM-CYBMUJFWSA-N 1 1 303.366 -1.014 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCCOCC1 ZINC000567911489 373540641 /nfs/dbraw/zinc/54/06/41/373540641.db2.gz XVECNAJPCDPZCP-ZDUSSCGKSA-N 1 1 300.403 -1.076 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000568160631 373541764 /nfs/dbraw/zinc/54/17/64/373541764.db2.gz QPDNHWRPGSNCOB-LLVKDONJSA-N 1 1 311.386 -2.351 20 0 DAADMO CNC(=O)CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000568169356 373542142 /nfs/dbraw/zinc/54/21/42/373542142.db2.gz HZGVEHSEBXQSAB-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cn[nH]c2=O)CC1 ZINC000157898559 373542229 /nfs/dbraw/zinc/54/22/29/373542229.db2.gz WLNIQZISEHBFHU-GFCCVEGCSA-N 1 1 310.402 -1.039 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000579805923 373594489 /nfs/dbraw/zinc/59/44/89/373594489.db2.gz BBWVQJYWSSQPEC-NHYWBVRUSA-N 1 1 308.382 -1.113 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)COC)CC1 ZINC000568587683 373546548 /nfs/dbraw/zinc/54/65/48/373546548.db2.gz FCAYEKWEHGCFOB-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO CN(CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ncnc2[nH]cnc21 ZINC000573805491 373555863 /nfs/dbraw/zinc/55/58/63/373555863.db2.gz FDFJJGBTNXLDFM-JTQLQIEISA-N 1 1 318.385 -1.110 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC(=O)N1CCNCC1 ZINC000573919195 373555924 /nfs/dbraw/zinc/55/59/24/373555924.db2.gz CKZRSCVWTKBQJP-NSHDSACASA-N 1 1 311.386 -2.207 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+](C)C1 ZINC000579721663 373595560 /nfs/dbraw/zinc/59/55/60/373595560.db2.gz AVGLCBDYQJXMBI-VIFPVBQESA-N 1 1 319.383 -1.629 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+](C)C1 ZINC000579721663 373595565 /nfs/dbraw/zinc/59/55/65/373595565.db2.gz AVGLCBDYQJXMBI-VIFPVBQESA-N 1 1 319.383 -1.629 20 0 DAADMO CC1(C(N)=O)C[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000576751278 373570223 /nfs/dbraw/zinc/57/02/23/373570223.db2.gz SHCQQLXTDRQQLO-UHFFFAOYSA-N 1 1 318.381 -1.068 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000577121627 373573289 /nfs/dbraw/zinc/57/32/89/373573289.db2.gz HCPZHJMLCZEHGL-CHWSQXEVSA-N 1 1 323.459 -1.061 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000577121633 373573908 /nfs/dbraw/zinc/57/39/08/373573908.db2.gz HCPZHJMLCZEHGL-QWHCGFSZSA-N 1 1 323.459 -1.061 20 0 DAADMO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627294545 373632330 /nfs/dbraw/zinc/63/23/30/373632330.db2.gz DAEYSKSNZSXZHT-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000618676059 373633612 /nfs/dbraw/zinc/63/36/12/373633612.db2.gz MLSXNNQTCXXPOD-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO CN1CCN(CC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000620479517 373641516 /nfs/dbraw/zinc/64/15/16/373641516.db2.gz VCZDWWRQBXWZHN-AWEZNQCLSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000627312774 373642761 /nfs/dbraw/zinc/64/27/61/373642761.db2.gz IKGSIHSUSHYUMT-FRRDWIJNSA-N 1 1 311.430 -1.395 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C[NH2+]1 ZINC000627312774 373642770 /nfs/dbraw/zinc/64/27/70/373642770.db2.gz IKGSIHSUSHYUMT-FRRDWIJNSA-N 1 1 311.430 -1.395 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000621306414 373645994 /nfs/dbraw/zinc/64/59/94/373645994.db2.gz ZHOYKMFGZXFSSK-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627331835 373648241 /nfs/dbraw/zinc/64/82/41/373648241.db2.gz JMADSAGUKFEWBC-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](CC(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000623783154 373651577 /nfs/dbraw/zinc/65/15/77/373651577.db2.gz GOMLPQZSZAUYOF-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@@H](CC(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000623783154 373651584 /nfs/dbraw/zinc/65/15/84/373651584.db2.gz GOMLPQZSZAUYOF-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627346552 373653807 /nfs/dbraw/zinc/65/38/07/373653807.db2.gz VWOXPHFABGMZRN-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627346552 373653814 /nfs/dbraw/zinc/65/38/14/373653814.db2.gz VWOXPHFABGMZRN-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)C2(n3cnnn3)CC2)CC1 ZINC000622065520 373655297 /nfs/dbraw/zinc/65/52/97/373655297.db2.gz VHUSFLWFDVQNLY-UHFFFAOYSA-N 1 1 307.358 -1.558 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)Cn2cc(C(C)=O)nn2)CC1 ZINC000580894324 373597998 /nfs/dbraw/zinc/59/79/98/373597998.db2.gz FXZMTPQLZFOFSO-UHFFFAOYSA-N 1 1 322.369 -1.239 20 0 DAADMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627349669 373656109 /nfs/dbraw/zinc/65/61/09/373656109.db2.gz VVLVGOCLHQWPQO-MDZLAQPJSA-N 1 1 310.398 -1.310 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627349669 373656116 /nfs/dbraw/zinc/65/61/16/373656116.db2.gz VVLVGOCLHQWPQO-MDZLAQPJSA-N 1 1 310.398 -1.310 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615479531 373608915 /nfs/dbraw/zinc/60/89/15/373608915.db2.gz GJAIJWRFOFBFIW-REWJHTLYSA-N 1 1 314.382 -1.638 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000615657179 373610773 /nfs/dbraw/zinc/61/07/73/373610773.db2.gz NYICDGFUJKSJAL-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615601656 373610883 /nfs/dbraw/zinc/61/08/83/373610883.db2.gz ISEKQAHTVWYFPZ-GFCCVEGCSA-N 1 1 304.416 -1.016 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000615657074 373611917 /nfs/dbraw/zinc/61/19/17/373611917.db2.gz LXUFJPPPXDMJSL-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000615656350 373612078 /nfs/dbraw/zinc/61/20/78/373612078.db2.gz DYMSPJSONKOEMC-AAVRWANBSA-N 1 1 314.382 -1.638 20 0 DAADMO CCCNC(=O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043782379 373615427 /nfs/dbraw/zinc/61/54/27/373615427.db2.gz QZQWTUPLZPZVQJ-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H](C)[N@@H+]1CCO ZINC000615864084 373621105 /nfs/dbraw/zinc/62/11/05/373621105.db2.gz PZQVCZSARMMSAO-PHIMTYICSA-N 1 1 322.431 -1.704 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NCC(=O)N2CCOCC2)CC1 ZINC000632185144 373709403 /nfs/dbraw/zinc/70/94/03/373709403.db2.gz UAPDBNHMHUHNJH-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000632213077 373709483 /nfs/dbraw/zinc/70/94/83/373709483.db2.gz BWHSSVHSABTFEU-YPMHNXCESA-N 1 1 317.411 -1.264 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000632213075 373710134 /nfs/dbraw/zinc/71/01/34/373710134.db2.gz BWHSSVHSABTFEU-DGCLKSJQSA-N 1 1 317.411 -1.264 20 0 DAADMO CN(C)S(=O)(=O)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632349364 373715019 /nfs/dbraw/zinc/71/50/19/373715019.db2.gz YJOUXQRJGDXFHL-UHFFFAOYSA-N 1 1 313.445 -1.109 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630868 373659706 /nfs/dbraw/zinc/65/97/06/373659706.db2.gz ACUMFPBGKKAVIR-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO CCN(C1CCN(c2nc(N)nc(N)[nH+]2)CC1)S(C)(=O)=O ZINC000623957568 373661933 /nfs/dbraw/zinc/66/19/33/373661933.db2.gz NJSFPYMBPSZODT-UHFFFAOYSA-N 1 1 315.403 -1.053 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000623867848 373662029 /nfs/dbraw/zinc/66/20/29/373662029.db2.gz MCFJZAPZFQCQGZ-UHFFFAOYSA-N 1 1 306.330 -2.376 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@H](O)COc2ccc3c(c2)OCO3)n1 ZINC000623890773 373662386 /nfs/dbraw/zinc/66/23/86/373662386.db2.gz WBHWZELNIWJHTL-ZETCQYMHSA-N 1 1 320.309 -1.301 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000623854925 373662682 /nfs/dbraw/zinc/66/26/82/373662682.db2.gz MMZYDLCGNHXNPU-ZETCQYMHSA-N 1 1 301.376 -1.538 20 0 DAADMO NC(=O)c1ccccc1N1CC[C@H](Nc2nc(N)nc(N)[nH+]2)C1 ZINC000623964465 373662803 /nfs/dbraw/zinc/66/28/03/373662803.db2.gz IGXYURFKAZXULI-QMMMGPOBSA-N 1 1 314.353 -1.092 20 0 DAADMO CN(C)S(=O)(=O)c1ccc(CNc2nc(N)nc(N)[nH+]2)cc1 ZINC000623866004 373663009 /nfs/dbraw/zinc/66/30/09/373663009.db2.gz IGGRWLMELBGBAT-UHFFFAOYSA-N 1 1 323.382 -1.019 20 0 DAADMO CS(=O)(=O)N1CCC(CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623912685 373663311 /nfs/dbraw/zinc/66/33/11/373663311.db2.gz QFJIIXWCLJKCOV-UHFFFAOYSA-N 1 1 301.376 -1.798 20 0 DAADMO CN(C)S(=O)(=O)c1cccc(CNc2nc(N)nc(N)[nH+]2)c1 ZINC000624094354 373664356 /nfs/dbraw/zinc/66/43/56/373664356.db2.gz CIHWLRPLSLOJNL-UHFFFAOYSA-N 1 1 323.382 -1.019 20 0 DAADMO C[C@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)C(=O)N1c1cnn(C)c1 ZINC000624006451 373665947 /nfs/dbraw/zinc/66/59/47/373665947.db2.gz XKJOUAUVPCLRMA-POYBYMJQSA-N 1 1 303.330 -1.542 20 0 DAADMO CO[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192396226 781961721 /nfs/dbraw/zinc/96/17/21/781961721.db2.gz KQVMMKKBIFAFRE-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000624327529 373667356 /nfs/dbraw/zinc/66/73/56/373667356.db2.gz FDWZIJVIDPKEIE-ZETCQYMHSA-N 1 1 322.350 -1.235 20 0 DAADMO Nc1nc(N)[nH+]c(NC[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000624327528 373668147 /nfs/dbraw/zinc/66/81/47/373668147.db2.gz FDWZIJVIDPKEIE-SSDOTTSWSA-N 1 1 322.350 -1.235 20 0 DAADMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)C2COC2)C1 ZINC000624361388 373668753 /nfs/dbraw/zinc/66/87/53/373668753.db2.gz JIKSOVHYXRKYLC-SNVBAGLBSA-N 1 1 303.384 -1.389 20 0 DAADMO O[C@H]1CN(c2cc(C3CC3)[nH+]c(N3C[C@H](O)[C@@H](O)C3)n2)C[C@@H]1O ZINC000624480727 373670539 /nfs/dbraw/zinc/67/05/39/373670539.db2.gz YOQSCZNLXKPVMA-CYDGBPFRSA-N 1 1 322.365 -1.562 20 0 DAADMO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627357848 373670884 /nfs/dbraw/zinc/67/08/84/373670884.db2.gz SFLKSILMRYXMJG-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627357848 373670891 /nfs/dbraw/zinc/67/08/91/373670891.db2.gz SFLKSILMRYXMJG-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627365689 373671255 /nfs/dbraw/zinc/67/12/55/373671255.db2.gz WTMWLVDOORPLJW-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627365689 373671261 /nfs/dbraw/zinc/67/12/61/373671261.db2.gz WTMWLVDOORPLJW-NWDGAFQWSA-N 1 1 300.403 -1.063 20 0 DAADMO CCn1cc(O[C@@H]2CN(c3nc(N)nc(N)[nH+]3)C[C@H]2O)cn1 ZINC000624421316 373671310 /nfs/dbraw/zinc/67/13/10/373671310.db2.gz CNPFFJMTUTYGHR-RKDXNWHRSA-N 1 1 306.330 -1.458 20 0 DAADMO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627357846 373671819 /nfs/dbraw/zinc/67/18/19/373671819.db2.gz SFLKSILMRYXMJG-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627357846 373671826 /nfs/dbraw/zinc/67/18/26/373671826.db2.gz SFLKSILMRYXMJG-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[NH+](C)CCN1CCN(S(=O)(=O)c2ncc[nH]2)CC1=O ZINC000632508463 373718016 /nfs/dbraw/zinc/71/80/16/373718016.db2.gz FCPWXNABNWJCMT-UHFFFAOYSA-N 1 1 301.372 -1.196 20 0 DAADMO CCOC[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000627419265 373676478 /nfs/dbraw/zinc/67/64/78/373676478.db2.gz RFCOAUOGTUAHCA-SECBINFHSA-N 1 1 309.313 -1.040 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627446533 373677938 /nfs/dbraw/zinc/67/79/38/373677938.db2.gz OUYCGNVUHKYTKH-YNEHKIRRSA-N 1 1 322.409 -1.335 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000627464023 373679919 /nfs/dbraw/zinc/67/99/19/373679919.db2.gz PDKMLFPQNIZJHE-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470476 373681795 /nfs/dbraw/zinc/68/17/95/373681795.db2.gz STSVUYKEGFHSFI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470476 373681803 /nfs/dbraw/zinc/68/18/03/373681803.db2.gz STSVUYKEGFHSFI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCCN3)[C@@H]2C1 ZINC000627470061 373682441 /nfs/dbraw/zinc/68/24/41/373682441.db2.gz KYMLUUHALDPQLJ-FRRDWIJNSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCCN3)[C@@H]2C1 ZINC000627470061 373682446 /nfs/dbraw/zinc/68/24/46/373682446.db2.gz KYMLUUHALDPQLJ-FRRDWIJNSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)[C@@H]2C1 ZINC000627470062 373682844 /nfs/dbraw/zinc/68/28/44/373682844.db2.gz KYMLUUHALDPQLJ-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)[C@@H]2C1 ZINC000627470062 373682853 /nfs/dbraw/zinc/68/28/53/373682853.db2.gz KYMLUUHALDPQLJ-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627473376 373682933 /nfs/dbraw/zinc/68/29/33/373682933.db2.gz MHOKKXJJHSWCPJ-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627473376 373682939 /nfs/dbraw/zinc/68/29/39/373682939.db2.gz MHOKKXJJHSWCPJ-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO COc1cc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH]n1 ZINC000627633141 373690278 /nfs/dbraw/zinc/69/02/78/373690278.db2.gz OPGNZZWYZKNGIZ-DTWKUNHWSA-N 1 1 309.326 -1.366 20 0 DAADMO CN1CCN(CC(=O)NC2CC([NH+]3CCOCC3)C2)CC1=O ZINC000627938374 373694743 /nfs/dbraw/zinc/69/47/43/373694743.db2.gz NGMXVRAOTOFPCY-UHFFFAOYSA-N 1 1 310.398 -1.260 20 0 DAADMO CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000631901034 373697373 /nfs/dbraw/zinc/69/73/73/373697373.db2.gz PFJOCKXNOINKFU-JTQLQIEISA-N 1 1 311.429 -1.497 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000632421201 373719499 /nfs/dbraw/zinc/71/94/99/373719499.db2.gz SRFFDEUJUQPBNG-CYBMUJFWSA-N 1 1 321.443 -1.307 20 0 DAADMO O=S(=O)(C[C@H]1CNCCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631938179 373702948 /nfs/dbraw/zinc/70/29/48/373702948.db2.gz WZMGKGLLZBJTBT-CHWSQXEVSA-N 1 1 318.443 -1.716 20 0 DAADMO O=C1C[C@@H](S(=O)(=O)NC[C@H]2COCC[NH2+]2)CN1C1CC1 ZINC000631954112 373703569 /nfs/dbraw/zinc/70/35/69/373703569.db2.gz BSGDIZRFNULKGF-GXSJLCMTSA-N 1 1 303.384 -1.343 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1=O ZINC000631937219 373703649 /nfs/dbraw/zinc/70/36/49/373703649.db2.gz UCPHTDVBLBRINA-GRYCIOLGSA-N 1 1 317.411 -1.000 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CCC[N@H+](CCO)CC2)CC1=O ZINC000632001239 373703681 /nfs/dbraw/zinc/70/36/81/373703681.db2.gz KXPXCLOJKLSIFV-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CCN1C[C@H](S(=O)(=O)N2CCC[N@@H+](CCO)CC2)CC1=O ZINC000632001239 373703690 /nfs/dbraw/zinc/70/36/90/373703690.db2.gz KXPXCLOJKLSIFV-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CN1CCN(CCCS(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631968420 373704122 /nfs/dbraw/zinc/70/41/22/373704122.db2.gz FIUKICIHMWWSJO-STQMWFEESA-N 1 1 302.444 -1.000 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC000632594686 373721973 /nfs/dbraw/zinc/72/19/73/373721973.db2.gz UYKSNSGWAUACQJ-UHFFFAOYSA-N 1 1 311.429 -1.356 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000633477405 373732215 /nfs/dbraw/zinc/73/22/15/373732215.db2.gz YJOMEXSCOWGJNU-UHFFFAOYSA-N 1 1 322.431 -1.053 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@]1(C)C(=O)NC2=O ZINC000633878772 373735798 /nfs/dbraw/zinc/73/57/98/373735798.db2.gz SWWUUNROBYJMNZ-HFBAOOFYSA-N 1 1 320.393 -1.113 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C[C@@]1(C)C(=O)NC2=O ZINC000633878792 373736050 /nfs/dbraw/zinc/73/60/50/373736050.db2.gz SWWUUNROBYJMNZ-LYRGGWFBSA-N 1 1 320.393 -1.113 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@]1(C)C(=O)NC2=O ZINC000633878785 373736072 /nfs/dbraw/zinc/73/60/72/373736072.db2.gz SWWUUNROBYJMNZ-IUIKQTSFSA-N 1 1 320.393 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)NC)C1 ZINC000634516116 373739761 /nfs/dbraw/zinc/73/97/61/373739761.db2.gz BGEPOWZCYZGBPV-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)NC)C1 ZINC000634516116 373739771 /nfs/dbraw/zinc/73/97/71/373739771.db2.gz BGEPOWZCYZGBPV-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO Cc1ccn(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192407326 781962888 /nfs/dbraw/zinc/96/28/88/781962888.db2.gz UWJMBGAVQVQDSS-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cc1ccn(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192407326 781962897 /nfs/dbraw/zinc/96/28/97/781962897.db2.gz UWJMBGAVQVQDSS-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001192476093 781963253 /nfs/dbraw/zinc/96/32/53/781963253.db2.gz AJYMVTNBIJPHPZ-NXEZZACHSA-N 1 1 315.326 -2.238 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cc1=O ZINC001192476093 781963263 /nfs/dbraw/zinc/96/32/63/781963263.db2.gz AJYMVTNBIJPHPZ-NXEZZACHSA-N 1 1 315.326 -2.238 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192467748 781963813 /nfs/dbraw/zinc/96/38/13/781963813.db2.gz LXZRQOFDXDMGLH-AXTSPUMRSA-N 1 1 304.347 -2.788 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192413465 781964392 /nfs/dbraw/zinc/96/43/92/781964392.db2.gz NLLDQXKUEZEADJ-IJLUTSLNSA-N 1 1 317.386 -1.929 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001192467140 781964454 /nfs/dbraw/zinc/96/44/54/781964454.db2.gz AALIFHDUDGPVHJ-MVWJERBFSA-N 1 1 314.386 -1.226 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001192443842 781964965 /nfs/dbraw/zinc/96/49/65/781964965.db2.gz DDWVVUKPQDVOJZ-HBNTYKKESA-N 1 1 310.358 -1.899 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192443842 781964971 /nfs/dbraw/zinc/96/49/71/781964971.db2.gz DDWVVUKPQDVOJZ-HBNTYKKESA-N 1 1 310.358 -1.899 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001192438184 781964983 /nfs/dbraw/zinc/96/49/83/781964983.db2.gz RSPYWJFXWVNUPX-YNEHKIRRSA-N 1 1 310.354 -1.433 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192452285 781965000 /nfs/dbraw/zinc/96/50/00/781965000.db2.gz DFCWVOUGSZJBBU-NXEZZACHSA-N 1 1 313.358 -2.691 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192452285 781965002 /nfs/dbraw/zinc/96/50/02/781965002.db2.gz DFCWVOUGSZJBBU-NXEZZACHSA-N 1 1 313.358 -2.691 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]2O)C1 ZINC001192445333 781965431 /nfs/dbraw/zinc/96/54/31/781965431.db2.gz VCRSGSWYIWIMRP-ZLKJLUDKSA-N 1 1 313.398 -1.213 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cnn1 ZINC001192437533 781965836 /nfs/dbraw/zinc/96/58/36/781965836.db2.gz DZCGDSANTDSLDZ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cnn1 ZINC001192437533 781965844 /nfs/dbraw/zinc/96/58/44/781965844.db2.gz DZCGDSANTDSLDZ-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C([C@@H]1CCCN(C(=O)[C@H]2CNCCO2)C1)N1CC[NH2+]CC1 ZINC000444161375 545782127 /nfs/dbraw/zinc/78/21/27/545782127.db2.gz OEPRKPKBWQOPAT-CHWSQXEVSA-N 1 1 310.398 -1.355 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001192463575 781966967 /nfs/dbraw/zinc/96/69/67/781966967.db2.gz WTFNUMJUASVIKN-HBNTYKKESA-N 1 1 322.369 -1.937 20 0 DAADMO CN(C)CC(C)(C)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000459551548 545786056 /nfs/dbraw/zinc/78/60/56/545786056.db2.gz SCHSOGIBDXOSSW-UHFFFAOYSA-N 1 1 311.386 -1.221 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463297 781968265 /nfs/dbraw/zinc/96/82/65/781968265.db2.gz RCUGOPJLKWQERF-GMTAPVOTSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192463297 781968275 /nfs/dbraw/zinc/96/82/75/781968275.db2.gz RCUGOPJLKWQERF-GMTAPVOTSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001192463275 781968475 /nfs/dbraw/zinc/96/84/75/781968475.db2.gz QOXBGWHIPHQNDH-GHMZBOCLSA-N 1 1 312.395 -1.017 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001192463275 781968479 /nfs/dbraw/zinc/96/84/79/781968479.db2.gz QOXBGWHIPHQNDH-GHMZBOCLSA-N 1 1 312.395 -1.017 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001192547561 781969004 /nfs/dbraw/zinc/96/90/04/781969004.db2.gz RWCVVTDPAHRZNR-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001192563037 781970274 /nfs/dbraw/zinc/97/02/74/781970274.db2.gz DFYVAQFBWBVXSX-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001192563037 781970282 /nfs/dbraw/zinc/97/02/82/781970282.db2.gz DFYVAQFBWBVXSX-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192549992 781970355 /nfs/dbraw/zinc/97/03/55/781970355.db2.gz CTXXIODZDDCPCI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001192551757 781970512 /nfs/dbraw/zinc/97/05/12/781970512.db2.gz RULVICASRXANEM-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192551757 781970517 /nfs/dbraw/zinc/97/05/17/781970517.db2.gz RULVICASRXANEM-BDAKNGLRSA-N 1 1 306.388 -2.058 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001192513776 781970620 /nfs/dbraw/zinc/97/06/20/781970620.db2.gz RJYDOENROZYCHC-JTQLQIEISA-N 1 1 306.326 -1.182 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001192513776 781970627 /nfs/dbraw/zinc/97/06/27/781970627.db2.gz RJYDOENROZYCHC-JTQLQIEISA-N 1 1 306.326 -1.182 20 0 DAADMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000533087119 269706589 /nfs/dbraw/zinc/70/65/89/269706589.db2.gz WXDILAUKVDQROV-VIFPVBQESA-N 1 1 307.372 -1.711 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H](C)[NH+]1C ZINC000343486445 269708041 /nfs/dbraw/zinc/70/80/41/269708041.db2.gz UFLUZRFPVGWXIO-UWVGGRQHSA-N 1 1 322.369 -1.142 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192593687 781973118 /nfs/dbraw/zinc/97/31/18/781973118.db2.gz AOMBZEHUGMXPRL-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192592139 781973161 /nfs/dbraw/zinc/97/31/61/781973161.db2.gz YPONQXPKQJTFBU-GRYCIOLGSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001192592139 781973169 /nfs/dbraw/zinc/97/31/69/781973169.db2.gz YPONQXPKQJTFBU-GRYCIOLGSA-N 1 1 313.354 -1.317 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192597419 781974245 /nfs/dbraw/zinc/97/42/45/781974245.db2.gz SPLPHXCTTFRGJP-JTQLQIEISA-N 1 1 308.404 -2.093 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)o1 ZINC001192624664 781975341 /nfs/dbraw/zinc/97/53/41/781975341.db2.gz XFGZPLLGTKHHNR-GHMZBOCLSA-N 1 1 314.342 -1.909 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)o1 ZINC001192624664 781975350 /nfs/dbraw/zinc/97/53/50/781975350.db2.gz XFGZPLLGTKHHNR-GHMZBOCLSA-N 1 1 314.342 -1.909 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000669859247 545789962 /nfs/dbraw/zinc/78/99/62/545789962.db2.gz KHCZKHBJZFMFLL-UHFFFAOYSA-N 1 1 322.431 -1.056 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001192648099 781976106 /nfs/dbraw/zinc/97/61/06/781976106.db2.gz VXKVAFHRLYNISL-GHMZBOCLSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001192648099 781976115 /nfs/dbraw/zinc/97/61/15/781976115.db2.gz VXKVAFHRLYNISL-GHMZBOCLSA-N 1 1 313.358 -1.747 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192666178 781976627 /nfs/dbraw/zinc/97/66/27/781976627.db2.gz FMUXBMNBOALLAK-IJLUTSLNSA-N 1 1 314.386 -1.810 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192666178 781976631 /nfs/dbraw/zinc/97/66/31/781976631.db2.gz FMUXBMNBOALLAK-IJLUTSLNSA-N 1 1 314.386 -1.810 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1)C(N)=O ZINC001192688252 781976818 /nfs/dbraw/zinc/97/68/18/781976818.db2.gz ROGHQPFFZJLUPN-RYUDHWBXSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000669925323 545790718 /nfs/dbraw/zinc/79/07/18/545790718.db2.gz URYZKPKKIPXTCB-VQXHTEKXSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CC(NS(C)(=O)=O)C2)C1 ZINC000669925323 545790724 /nfs/dbraw/zinc/79/07/24/545790724.db2.gz URYZKPKKIPXTCB-VQXHTEKXSA-N 1 1 305.400 -1.097 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686920 781977233 /nfs/dbraw/zinc/97/72/33/781977233.db2.gz ZGJJOKPNNQLWBA-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001192686895 781977772 /nfs/dbraw/zinc/97/77/72/781977772.db2.gz YFWYDETXBIXOCP-GHMZBOCLSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001192702536 781978500 /nfs/dbraw/zinc/97/85/00/781978500.db2.gz QARVZWFGXBFYMQ-HBNTYKKESA-N 1 1 302.375 -1.498 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000682092948 545792102 /nfs/dbraw/zinc/79/21/02/545792102.db2.gz GDJQVDIRPVRFQH-VHSXEESVSA-N 1 1 300.359 -1.974 20 0 DAADMO C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000682092948 545792104 /nfs/dbraw/zinc/79/21/04/545792104.db2.gz GDJQVDIRPVRFQH-VHSXEESVSA-N 1 1 300.359 -1.974 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001192770524 781979975 /nfs/dbraw/zinc/97/99/75/781979975.db2.gz LJZNKVZSFHKSPV-QJPTWQEYSA-N 1 1 312.370 -1.489 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001192759058 781981095 /nfs/dbraw/zinc/98/10/95/781981095.db2.gz NRBVXMVOQYSVHJ-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CC(C)(C)c1cnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001192804049 781981145 /nfs/dbraw/zinc/98/11/45/781981145.db2.gz RLJSOIQZIRXPIK-WOPDTQHZSA-N 1 1 305.386 -1.093 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192748443 781981326 /nfs/dbraw/zinc/98/13/26/781981326.db2.gz BKYMBAPAQGAADV-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192748443 781981332 /nfs/dbraw/zinc/98/13/32/781981332.db2.gz BKYMBAPAQGAADV-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192752272 781981708 /nfs/dbraw/zinc/98/17/08/781981708.db2.gz WKITVCHPRIEFOF-GMTAPVOTSA-N 1 1 313.358 -2.176 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192845419 781983706 /nfs/dbraw/zinc/98/37/06/781983706.db2.gz HZIBKQTYAWSDGD-IUCAKERBSA-N 1 1 323.357 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001192861992 781983753 /nfs/dbraw/zinc/98/37/53/781983753.db2.gz KBKFGKSTAYRZFK-IJLUTSLNSA-N 1 1 314.386 -1.666 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001192861928 781984984 /nfs/dbraw/zinc/98/49/84/781984984.db2.gz IAGBBTNPJRHEGI-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193029466 781993430 /nfs/dbraw/zinc/99/34/30/781993430.db2.gz ZPRDIUSTKIIZND-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001192942685 781988150 /nfs/dbraw/zinc/98/81/50/781988150.db2.gz FPFUYPMYGOMKQW-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192879021 781988806 /nfs/dbraw/zinc/98/88/06/781988806.db2.gz RWXQVNARMNJCJW-VXGBXAGGSA-N 1 1 314.386 -1.718 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001192945207 781988981 /nfs/dbraw/zinc/98/89/81/781988981.db2.gz ZIJGRMBMMMMRLZ-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001192932216 781990832 /nfs/dbraw/zinc/99/08/32/781990832.db2.gz SKKXHDXJMBXPNP-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001192986715 781990885 /nfs/dbraw/zinc/99/08/85/781990885.db2.gz HVFKMDVEHZWEHC-HTQZYQBOSA-N 1 1 310.314 -1.201 20 0 DAADMO CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)C1CC1 ZINC001193005106 781991177 /nfs/dbraw/zinc/99/11/77/781991177.db2.gz GMRNTQVTWSWPHG-JHJVBQTASA-N 1 1 324.385 -1.351 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001193076289 781993494 /nfs/dbraw/zinc/99/34/94/781993494.db2.gz PWIWEIMYPSIXSV-DGCLKSJQSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001193076289 781993500 /nfs/dbraw/zinc/99/35/00/781993500.db2.gz PWIWEIMYPSIXSV-DGCLKSJQSA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192931411 781991631 /nfs/dbraw/zinc/99/16/31/781991631.db2.gz IYKZZHIDMDWPLS-BFHYXJOUSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001192931411 781991643 /nfs/dbraw/zinc/99/16/43/781991643.db2.gz IYKZZHIDMDWPLS-BFHYXJOUSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193029465 781992465 /nfs/dbraw/zinc/99/24/65/781992465.db2.gz ZPRDIUSTKIIZND-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026839 781992771 /nfs/dbraw/zinc/99/27/71/781992771.db2.gz MJQSBCUIJREWNR-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026839 781992782 /nfs/dbraw/zinc/99/27/82/781992782.db2.gz MJQSBCUIJREWNR-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027330 781993264 /nfs/dbraw/zinc/99/32/64/781993264.db2.gz PPFMIDYELAXUSK-RYUDHWBXSA-N 1 1 312.374 -1.397 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193031652 781993373 /nfs/dbraw/zinc/99/33/73/781993373.db2.gz JGNUVMNKQCMYDK-VXGBXAGGSA-N 1 1 312.370 -1.431 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193031652 781993378 /nfs/dbraw/zinc/99/33/78/781993378.db2.gz JGNUVMNKQCMYDK-VXGBXAGGSA-N 1 1 312.370 -1.431 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC2)C1 ZINC001193122472 781994723 /nfs/dbraw/zinc/99/47/23/781994723.db2.gz LGIMSWSABGZMKN-JHJVBQTASA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 ZINC000275265209 130301039 /nfs/dbraw/zinc/30/10/39/130301039.db2.gz RYCNDJOQIOMZCS-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000284451567 131081537 /nfs/dbraw/zinc/08/15/37/131081537.db2.gz UJSPFADGNKMKCX-NEPJUHHUSA-N 1 1 310.398 -1.029 20 0 DAADMO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)CC(C)(CO)CO ZINC000340195529 131130175 /nfs/dbraw/zinc/13/01/75/131130175.db2.gz SHGHBPBGCRFTFY-UHFFFAOYSA-N 1 1 303.403 -1.060 20 0 DAADMO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)CC(C)(CO)CO ZINC000340195529 131130176 /nfs/dbraw/zinc/13/01/76/131130176.db2.gz SHGHBPBGCRFTFY-UHFFFAOYSA-N 1 1 303.403 -1.060 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000285780119 131201616 /nfs/dbraw/zinc/20/16/16/131201616.db2.gz FOWMFHIHQHYIEZ-MNOVXSKESA-N 1 1 312.370 -1.102 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCC(N)=O ZINC000286351143 131232283 /nfs/dbraw/zinc/23/22/83/131232283.db2.gz GZJMYJUGTGYODU-SSDOTTSWSA-N 1 1 311.342 -1.955 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCC(N)=O ZINC000286351143 131232284 /nfs/dbraw/zinc/23/22/84/131232284.db2.gz GZJMYJUGTGYODU-SSDOTTSWSA-N 1 1 311.342 -1.955 20 0 DAADMO CN(CCCO)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340239269 131246508 /nfs/dbraw/zinc/24/65/08/131246508.db2.gz BSPRGAPRMVVRNK-UHFFFAOYSA-N 1 1 314.386 -1.893 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000649473883 545804020 /nfs/dbraw/zinc/80/40/20/545804020.db2.gz SBLANKNWEMWLMS-AVGNSLFASA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000649473883 545804029 /nfs/dbraw/zinc/80/40/29/545804029.db2.gz SBLANKNWEMWLMS-AVGNSLFASA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000287824260 131302075 /nfs/dbraw/zinc/30/20/75/131302075.db2.gz BTZYZBFXIGNMDV-LLVKDONJSA-N 1 1 324.385 -1.153 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000288787036 131340103 /nfs/dbraw/zinc/34/01/03/131340103.db2.gz CBUUCKKDHZNJEB-VIFPVBQESA-N 1 1 311.342 -1.043 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501621 131391522 /nfs/dbraw/zinc/39/15/22/131391522.db2.gz UEVKBONBAOEGQV-BDAKNGLRSA-N 1 1 311.342 -1.045 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501621 131391524 /nfs/dbraw/zinc/39/15/24/131391524.db2.gz UEVKBONBAOEGQV-BDAKNGLRSA-N 1 1 311.342 -1.045 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501627 131391675 /nfs/dbraw/zinc/39/16/75/131391675.db2.gz UEVKBONBAOEGQV-IUCAKERBSA-N 1 1 311.342 -1.045 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289501627 131391676 /nfs/dbraw/zinc/39/16/76/131391676.db2.gz UEVKBONBAOEGQV-IUCAKERBSA-N 1 1 311.342 -1.045 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 ZINC001193174818 781995275 /nfs/dbraw/zinc/99/52/75/781995275.db2.gz ULEWAFAREOHJCB-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO CNc1nc(SC)ncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001193119513 781995555 /nfs/dbraw/zinc/99/55/55/781995555.db2.gz LHIXISUDJPDCAF-NRPADANISA-N 1 1 324.414 -1.627 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C)CC2)C1 ZINC001193122474 781995752 /nfs/dbraw/zinc/99/57/52/781995752.db2.gz LGIMSWSABGZMKN-YNEHKIRRSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000649742594 545806072 /nfs/dbraw/zinc/80/60/72/545806072.db2.gz KZFSMDYKAHJNIU-WDEREUQCSA-N 1 1 318.399 -1.220 20 0 DAADMO CNC(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000340579258 132030327 /nfs/dbraw/zinc/03/03/27/132030327.db2.gz RZKOJTVIJJHUBK-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CN1CC[NH+](C)CC1 ZINC000121826686 132159943 /nfs/dbraw/zinc/15/99/43/132159943.db2.gz NZVOEKWAFCBCTH-GFCCVEGCSA-N 1 1 320.459 -1.123 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001193085734 781995969 /nfs/dbraw/zinc/99/59/69/781995969.db2.gz LHJOJUQVDXVWAC-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001193169827 781996380 /nfs/dbraw/zinc/99/63/80/781996380.db2.gz GDCSNEIVCVBOPN-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193165949 781996460 /nfs/dbraw/zinc/99/64/60/781996460.db2.gz HHLZXPBYAQTJFK-GMTAPVOTSA-N 1 1 303.359 -2.055 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001193140706 781996475 /nfs/dbraw/zinc/99/64/75/781996475.db2.gz DRWIQKCUZJOETJ-HBNTYKKESA-N 1 1 307.416 -1.115 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193166489 781996946 /nfs/dbraw/zinc/99/69/46/781996946.db2.gz MGIZGJSVVVFZPL-IJLUTSLNSA-N 1 1 301.387 -1.045 20 0 DAADMO O=C(NC[C@@H]1CCCOC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301004 545818832 /nfs/dbraw/zinc/81/88/32/545818832.db2.gz WXWQHISSPWGHNW-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO COC[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656320789 545819969 /nfs/dbraw/zinc/81/99/69/545819969.db2.gz UWLCYGBKGZMCCG-XQQFMLRXSA-N 1 1 311.382 -1.195 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193165077 781997685 /nfs/dbraw/zinc/99/76/85/781997685.db2.gz BZSYEWIPGVRBSH-GMTAPVOTSA-N 1 1 303.359 -2.319 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193140938 781997333 /nfs/dbraw/zinc/99/73/33/781997333.db2.gz IVAVIMXXOFWBFB-HBNTYKKESA-N 1 1 323.415 -2.142 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193140793 781997640 /nfs/dbraw/zinc/99/76/40/781997640.db2.gz ICOLGNYIQKUXKP-OPRDCNLKSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193140793 781997649 /nfs/dbraw/zinc/99/76/49/781997649.db2.gz ICOLGNYIQKUXKP-OPRDCNLKSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@H](C(=O)N[C@H](CO)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000670385519 545824295 /nfs/dbraw/zinc/82/42/95/545824295.db2.gz LMPDXKZXNJIEGY-KGLIPLIRSA-N 1 1 314.430 -1.568 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000670408857 545826111 /nfs/dbraw/zinc/82/61/11/545826111.db2.gz YHEZXXLLFTTWBS-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO CN(CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)S(C)(=O)=O ZINC000670409333 545826460 /nfs/dbraw/zinc/82/64/60/545826460.db2.gz KKQSWVZFBRMRSQ-NSHDSACASA-N 1 1 304.416 -1.616 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001193166449 781997784 /nfs/dbraw/zinc/99/77/84/781997784.db2.gz LOBJIAAIGFXANM-YNEHKIRRSA-N 1 1 323.397 -1.041 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001193166449 781997790 /nfs/dbraw/zinc/99/77/90/781997790.db2.gz LOBJIAAIGFXANM-YNEHKIRRSA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193166087 781997949 /nfs/dbraw/zinc/99/79/49/781997949.db2.gz JKTFWRFTPVPZCK-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627393162 545828786 /nfs/dbraw/zinc/82/87/86/545828786.db2.gz QFJDSDMLCYTHSX-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627393162 545828792 /nfs/dbraw/zinc/82/87/92/545828792.db2.gz QFJDSDMLCYTHSX-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193166087 781997958 /nfs/dbraw/zinc/99/79/58/781997958.db2.gz JKTFWRFTPVPZCK-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001193191622 781998571 /nfs/dbraw/zinc/99/85/71/781998571.db2.gz ROADMJAZEILXCG-IJLUTSLNSA-N 1 1 324.385 -1.646 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001193191622 781998577 /nfs/dbraw/zinc/99/85/77/781998577.db2.gz ROADMJAZEILXCG-IJLUTSLNSA-N 1 1 324.385 -1.646 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001193191624 781998635 /nfs/dbraw/zinc/99/86/35/781998635.db2.gz ROADMJAZEILXCG-QJPTWQEYSA-N 1 1 324.385 -1.646 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001193191624 781998642 /nfs/dbraw/zinc/99/86/42/781998642.db2.gz ROADMJAZEILXCG-QJPTWQEYSA-N 1 1 324.385 -1.646 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398462 545830998 /nfs/dbraw/zinc/83/09/98/545830998.db2.gz NJMQYRYXVQRCTF-AGIUHOORSA-N 1 1 310.398 -1.166 20 0 DAADMO O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000627398462 545831005 /nfs/dbraw/zinc/83/10/05/545831005.db2.gz NJMQYRYXVQRCTF-AGIUHOORSA-N 1 1 310.398 -1.166 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666101519 545831641 /nfs/dbraw/zinc/83/16/41/545831641.db2.gz DMAHDQUVJYRTGM-QWRGUYRKSA-N 1 1 323.415 -1.588 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000666101519 545831643 /nfs/dbraw/zinc/83/16/43/545831643.db2.gz DMAHDQUVJYRTGM-QWRGUYRKSA-N 1 1 323.415 -1.588 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCC2)C1 ZINC001193202442 781998880 /nfs/dbraw/zinc/99/88/80/781998880.db2.gz YLSHVEPKRJNLEV-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001193303948 781999823 /nfs/dbraw/zinc/99/98/23/781999823.db2.gz GCFRMVIWJKGTPA-MRVWCRGKSA-N 1 1 324.381 -1.124 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193297700 781999944 /nfs/dbraw/zinc/99/99/44/781999944.db2.gz YCMLWJLGHSMNJB-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193297700 781999953 /nfs/dbraw/zinc/99/99/53/781999953.db2.gz YCMLWJLGHSMNJB-NXEZZACHSA-N 1 1 319.312 -1.279 20 0 DAADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001193340176 782000113 /nfs/dbraw/zinc/00/01/13/782000113.db2.gz ZUAPLWRCKACAGR-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193447391 782001156 /nfs/dbraw/zinc/00/11/56/782001156.db2.gz QGOYJBICGPUNEC-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193447195 782001207 /nfs/dbraw/zinc/00/12/07/782001207.db2.gz MQXFFRQRLFKJDE-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnnn2-c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001193436718 782001449 /nfs/dbraw/zinc/00/14/49/782001449.db2.gz WMTTUBHDRVUPEJ-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001193391738 782001779 /nfs/dbraw/zinc/00/17/79/782001779.db2.gz SGXNXJAJMNIBOR-BFHYXJOUSA-N 1 1 324.381 -1.422 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnnn2-c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001193436710 782001910 /nfs/dbraw/zinc/00/19/10/782001910.db2.gz WMTTUBHDRVUPEJ-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO C[C@@H]1COCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000672596697 545863326 /nfs/dbraw/zinc/86/33/26/545863326.db2.gz VUPMGWHRZXLCRH-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001193447370 782002448 /nfs/dbraw/zinc/00/24/48/782002448.db2.gz PQGOEZPWTPRDRU-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193464607 782003856 /nfs/dbraw/zinc/00/38/56/782003856.db2.gz ACVCGNAGEHKWPR-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001193417156 782004624 /nfs/dbraw/zinc/00/46/24/782004624.db2.gz ZGJCMQAOKRKFKM-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193474147 782004696 /nfs/dbraw/zinc/00/46/96/782004696.db2.gz ZEPUDXSRUDMFFH-IVZWLZJFSA-N 1 1 309.388 -2.580 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)S(C)(=O)=O ZINC001193465421 782004826 /nfs/dbraw/zinc/00/48/26/782004826.db2.gz SZFQRICKXPNJGK-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193465609 782005117 /nfs/dbraw/zinc/00/51/17/782005117.db2.gz XDYULFBJTBBOIQ-NXEZZACHSA-N 1 1 311.379 -1.553 20 0 DAADMO COC(=O)c1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001193417154 782005369 /nfs/dbraw/zinc/00/53/69/782005369.db2.gz ZGJCMQAOKRKFKM-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465674 782005767 /nfs/dbraw/zinc/00/57/67/782005767.db2.gz ZGCZQPIPCUMLAO-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CN([C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001193488963 782006235 /nfs/dbraw/zinc/00/62/35/782006235.db2.gz QRXHCUDEIJXWRX-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001193536219 782006410 /nfs/dbraw/zinc/00/64/10/782006410.db2.gz WINSHMWQFLDEKD-IJLUTSLNSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193535347 782006452 /nfs/dbraw/zinc/00/64/52/782006452.db2.gz JUKGZMGKJABXFB-NXEZZACHSA-N 1 1 304.347 -2.914 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193535347 782006464 /nfs/dbraw/zinc/00/64/64/782006464.db2.gz JUKGZMGKJABXFB-NXEZZACHSA-N 1 1 304.347 -2.914 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001193483510 782006958 /nfs/dbraw/zinc/00/69/58/782006958.db2.gz WLIJYOJXVZIXBK-GMTAPVOTSA-N 1 1 303.359 -2.367 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488475 782007017 /nfs/dbraw/zinc/00/70/17/782007017.db2.gz GGMXLGMLFPVSSD-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193536060 782007461 /nfs/dbraw/zinc/00/74/61/782007461.db2.gz RMMLHSYCBSNVRO-RKDXNWHRSA-N 1 1 324.328 -1.642 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193536060 782007467 /nfs/dbraw/zinc/00/74/67/782007467.db2.gz RMMLHSYCBSNVRO-RKDXNWHRSA-N 1 1 324.328 -1.642 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1O ZINC001193482527 782007645 /nfs/dbraw/zinc/00/76/45/782007645.db2.gz NPBBICXORRTANN-IJLUTSLNSA-N 1 1 317.386 -1.713 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193529036 782008649 /nfs/dbraw/zinc/00/86/49/782008649.db2.gz XJFBLPZVVFUEME-VXGBXAGGSA-N 1 1 324.385 -1.681 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193529036 782008660 /nfs/dbraw/zinc/00/86/60/782008660.db2.gz XJFBLPZVVFUEME-VXGBXAGGSA-N 1 1 324.385 -1.681 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1O ZINC001193528157 782009140 /nfs/dbraw/zinc/00/91/40/782009140.db2.gz PXKSCODZOXUQOL-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1O ZINC001193528157 782009145 /nfs/dbraw/zinc/00/91/45/782009145.db2.gz PXKSCODZOXUQOL-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1O ZINC001193528940 782009264 /nfs/dbraw/zinc/00/92/64/782009264.db2.gz VXPCBCWBFIRIBU-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1O ZINC001193528940 782009273 /nfs/dbraw/zinc/00/92/73/782009273.db2.gz VXPCBCWBFIRIBU-CHWSQXEVSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001193527609 782009836 /nfs/dbraw/zinc/00/98/36/782009836.db2.gz IKLDUTZTYODOBB-QJPTWQEYSA-N 1 1 314.386 -1.497 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193505598 782009928 /nfs/dbraw/zinc/00/99/28/782009928.db2.gz KSJCJYJRHOTPJB-GHMZBOCLSA-N 1 1 303.359 -2.317 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193520950 782010109 /nfs/dbraw/zinc/01/01/09/782010109.db2.gz YVYDSLGWYDLDKL-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298805 409328647 /nfs/dbraw/zinc/32/86/47/409328647.db2.gz SWAZFXZKRVBNCG-QWHCGFSZSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(CCN1CCCS1(=O)=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298983 409328673 /nfs/dbraw/zinc/32/86/73/409328673.db2.gz IHFPCCOUMNMJBJ-NWDGAFQWSA-N 1 1 317.411 -1.311 20 0 DAADMO NC(=O)C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000647092158 409328859 /nfs/dbraw/zinc/32/88/59/409328859.db2.gz MMFXKAVPEYPWRK-UHFFFAOYSA-N 1 1 316.383 -2.302 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296850 409329406 /nfs/dbraw/zinc/32/94/06/409329406.db2.gz BVWBHJJNLCTBPI-VHSXEESVSA-N 1 1 305.400 -1.408 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297530 409329585 /nfs/dbraw/zinc/32/95/85/409329585.db2.gz KXOUTXXXMIDOPF-VHSXEESVSA-N 1 1 310.354 -1.406 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295376 409329734 /nfs/dbraw/zinc/32/97/34/409329734.db2.gz AFSDTJYRINPFCI-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000646919006 409323629 /nfs/dbraw/zinc/32/36/29/409323629.db2.gz CMZOPOQQEOUQCA-ONGXEEELSA-N 1 1 313.383 -1.307 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646960222 409324403 /nfs/dbraw/zinc/32/44/03/409324403.db2.gz VKVDHJAWYCIQDE-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000646974443 409325777 /nfs/dbraw/zinc/32/57/77/409325777.db2.gz IQHCSMCRIVMOMS-SDDRHHMPSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000647030609 409326797 /nfs/dbraw/zinc/32/67/97/409326797.db2.gz DUBGKONYYDDLBT-SECBINFHSA-N 1 1 322.369 -1.251 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000647067229 409327089 /nfs/dbraw/zinc/32/70/89/409327089.db2.gz TVSCTHPMXKWGKV-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000647067229 409327094 /nfs/dbraw/zinc/32/70/94/409327094.db2.gz TVSCTHPMXKWGKV-CMPLNLGQSA-N 1 1 314.386 -1.584 20 0 DAADMO O=C(C[C@@H]1CCOC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092153 409327999 /nfs/dbraw/zinc/32/79/99/409327999.db2.gz LTFCSUIFJFDVDS-NSHDSACASA-N 1 1 317.411 -1.141 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000644735596 409360969 /nfs/dbraw/zinc/36/09/69/409360969.db2.gz ZJUCWSJJILKQNF-UWVGGRQHSA-N 1 1 321.381 -1.515 20 0 DAADMO Cn1c(N)c(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000644735603 409361870 /nfs/dbraw/zinc/36/18/70/409361870.db2.gz ZJUCWSJJILKQNF-ZJUUUORDSA-N 1 1 321.381 -1.515 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000651167212 409362559 /nfs/dbraw/zinc/36/25/59/409362559.db2.gz BJXRJVLYMSOKJP-MNOVXSKESA-N 1 1 310.354 -1.406 20 0 DAADMO CN1C(=O)CC[C@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC000651167212 409362562 /nfs/dbraw/zinc/36/25/62/409362562.db2.gz BJXRJVLYMSOKJP-MNOVXSKESA-N 1 1 310.354 -1.406 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000651261709 409363868 /nfs/dbraw/zinc/36/38/68/409363868.db2.gz VQPHDYHCGUJWSB-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C[NH+]1CCOCC1 ZINC000651366587 409364593 /nfs/dbraw/zinc/36/45/93/409364593.db2.gz CNECHOWXMMAXPW-MNOVXSKESA-N 1 1 305.400 -1.237 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651275106 409364932 /nfs/dbraw/zinc/36/49/32/409364932.db2.gz JSXDMSBDQOKVBI-JTQLQIEISA-N 1 1 305.400 -1.407 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CC[NH+](C)CC1 ZINC000408092417 409367577 /nfs/dbraw/zinc/36/75/77/409367577.db2.gz YEOOTSKGOYBQND-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000363146833 409368809 /nfs/dbraw/zinc/36/88/09/409368809.db2.gz ICSHUXLPPYGNLG-NEPJUHHUSA-N 1 1 316.427 -1.474 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000408119218 409373043 /nfs/dbraw/zinc/37/30/43/409373043.db2.gz DRQFIPJICYCVKS-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1S(C)(=O)=O ZINC000408119218 409373049 /nfs/dbraw/zinc/37/30/49/409373049.db2.gz DRQFIPJICYCVKS-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO O=S(=O)(N1CC[NH+](CCCO)CC1)N1CCCOCC1 ZINC000651628356 409373402 /nfs/dbraw/zinc/37/34/02/409373402.db2.gz JQEARXPKEXIMTC-UHFFFAOYSA-N 1 1 307.416 -1.047 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000651629344 409373832 /nfs/dbraw/zinc/37/38/32/409373832.db2.gz UAQSSENSOCAMKQ-UWVGGRQHSA-N 1 1 323.353 -1.319 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000651629344 409373836 /nfs/dbraw/zinc/37/38/36/409373836.db2.gz UAQSSENSOCAMKQ-UWVGGRQHSA-N 1 1 323.353 -1.319 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000408140521 409374010 /nfs/dbraw/zinc/37/40/10/409374010.db2.gz SHNOXSLFWZMHBZ-RYUDHWBXSA-N 1 1 314.386 -1.184 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC000651773555 409377174 /nfs/dbraw/zinc/37/71/74/409377174.db2.gz NWXJTXSHTQLVOT-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)C1 ZINC000651773555 409377177 /nfs/dbraw/zinc/37/71/77/409377177.db2.gz NWXJTXSHTQLVOT-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC000652359702 409381870 /nfs/dbraw/zinc/38/18/70/409381870.db2.gz PVIWRZZZPDVVEI-SDDRHHMPSA-N 1 1 317.411 -1.000 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000495171723 409382282 /nfs/dbraw/zinc/38/22/82/409382282.db2.gz GTHPVCUSOILVKM-QMMMGPOBSA-N 1 1 308.360 -1.066 20 0 DAADMO Cn1cc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000652292324 409382545 /nfs/dbraw/zinc/38/25/45/409382545.db2.gz KONPMTZZKUQDHU-GFCCVEGCSA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCS(=O)(=O)N1 ZINC000652390420 409383294 /nfs/dbraw/zinc/38/32/94/409383294.db2.gz OXNSUURZAVDIGI-QWRGUYRKSA-N 1 1 305.400 -1.359 20 0 DAADMO Cn1c2c(nc1N1CCC[N@@H+](CCO)CC1)n(C)c(=O)[nH]c2=O ZINC000408216602 409385107 /nfs/dbraw/zinc/38/51/07/409385107.db2.gz XAIZXEQAWKVBJE-UHFFFAOYSA-N 1 1 322.369 -1.123 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458766 409385440 /nfs/dbraw/zinc/38/54/40/409385440.db2.gz ZGSRYOLKYIDJIP-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458766 409385446 /nfs/dbraw/zinc/38/54/46/409385446.db2.gz ZGSRYOLKYIDJIP-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000652427494 409385686 /nfs/dbraw/zinc/38/56/86/409385686.db2.gz YLBZOYUUBWVAIN-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000652427494 409385691 /nfs/dbraw/zinc/38/56/91/409385691.db2.gz YLBZOYUUBWVAIN-LBPRGKRZSA-N 1 1 323.397 -1.094 20 0 DAADMO COCC[N@@H+](CCC(=O)N1CCN(C)CC1)[C@H](C)C(N)=O ZINC000338303405 409389150 /nfs/dbraw/zinc/38/91/50/409389150.db2.gz GLOXEKYQPUFRLK-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[N@@H+]1CCO ZINC000408377795 409390555 /nfs/dbraw/zinc/39/05/55/409390555.db2.gz ZSZCBZIMMCPJQO-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[N@H+]1CCO ZINC000408377795 409390562 /nfs/dbraw/zinc/39/05/62/409390562.db2.gz ZSZCBZIMMCPJQO-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(NC1CC1)C(=O)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000408401906 409392963 /nfs/dbraw/zinc/39/29/63/409392963.db2.gz IVPDSZJFKUUTDS-UHFFFAOYSA-N 1 1 311.382 -1.049 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000647822716 409397434 /nfs/dbraw/zinc/39/74/34/409397434.db2.gz XOABGVGLGIOYHQ-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000647822713 409397727 /nfs/dbraw/zinc/39/77/27/409397727.db2.gz XOABGVGLGIOYHQ-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CC[N@@H+](C)C1 ZINC000413292315 409398168 /nfs/dbraw/zinc/39/81/68/409398168.db2.gz AGJPUMMKRBWLMN-QWRGUYRKSA-N 1 1 312.370 -1.037 20 0 DAADMO COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000234500753 409331432 /nfs/dbraw/zinc/33/14/32/409331432.db2.gz AEBOJQMHQHUXDT-LLVKDONJSA-N 1 1 321.399 -1.306 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000410529903 409338476 /nfs/dbraw/zinc/33/84/76/409338476.db2.gz RGRXHOOUCMXDHB-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000647822715 409399193 /nfs/dbraw/zinc/39/91/93/409399193.db2.gz XOABGVGLGIOYHQ-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000408440763 409343674 /nfs/dbraw/zinc/34/36/74/409343674.db2.gz FWLKXISCYKPBPH-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000408440763 409343678 /nfs/dbraw/zinc/34/36/78/409343678.db2.gz FWLKXISCYKPBPH-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C)c1nc(N2CCN(C(=O)Cn3cnnn3)CC2)cc[nH+]1 ZINC000153786677 409343767 /nfs/dbraw/zinc/34/37/67/409343767.db2.gz ZPIKZCTWUVYRPN-UHFFFAOYSA-N 1 1 317.357 -1.122 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)[C@H](C)CO ZINC000443348467 409345734 /nfs/dbraw/zinc/34/57/34/409345734.db2.gz RJQZSILGQTXSGV-GHMZBOCLSA-N 1 1 320.415 -1.238 20 0 DAADMO Cc1nn(CC(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c(=O)n1C ZINC000655459864 409345744 /nfs/dbraw/zinc/34/57/44/409345744.db2.gz CYVFJIPCPSQQRD-NSHDSACASA-N 1 1 319.369 -1.203 20 0 DAADMO COCC[N@H+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000650828240 409346949 /nfs/dbraw/zinc/34/69/49/409346949.db2.gz AAUQILJTQUFTEJ-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(NCCCN1C(=O)CCC1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650852021 409347091 /nfs/dbraw/zinc/34/70/91/409347091.db2.gz NEUNBXVGEJFYCM-GFCCVEGCSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(NCCCN1C(=O)CCC1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650852021 409347098 /nfs/dbraw/zinc/34/70/98/409347098.db2.gz NEUNBXVGEJFYCM-GFCCVEGCSA-N 1 1 324.381 -1.014 20 0 DAADMO COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CCNC2=O)CC1 ZINC000661391246 409348246 /nfs/dbraw/zinc/34/82/46/409348246.db2.gz TXEIGJSMMRAEAT-LBPRGKRZSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000173636195 409349224 /nfs/dbraw/zinc/34/92/24/409349224.db2.gz ZNMWBGJUQCIAIZ-UHFFFAOYSA-N 1 1 303.388 -1.234 20 0 DAADMO CCCN(C(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567327 409351150 /nfs/dbraw/zinc/35/11/50/409351150.db2.gz RGKSCZTUMBWCMO-UPJWGTAASA-N 1 1 313.398 -1.259 20 0 DAADMO CCCN(C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567328 409351459 /nfs/dbraw/zinc/35/14/59/409351459.db2.gz RGKSCZTUMBWCMO-XQQFMLRXSA-N 1 1 313.398 -1.259 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000407950513 409352849 /nfs/dbraw/zinc/35/28/49/409352849.db2.gz KDKFQHOGJYPQHW-SECBINFHSA-N 1 1 318.399 -1.060 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000407950513 409352854 /nfs/dbraw/zinc/35/28/54/409352854.db2.gz KDKFQHOGJYPQHW-SECBINFHSA-N 1 1 318.399 -1.060 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)N=c1ccn(C)[nH]1 ZINC000647622868 409353078 /nfs/dbraw/zinc/35/30/78/409353078.db2.gz ZHPWLUJXQDXHDO-LLVKDONJSA-N 1 1 309.370 -1.135 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000407950333 409353439 /nfs/dbraw/zinc/35/34/39/409353439.db2.gz ZJSHIYGLKRYRST-MRVPVSSYSA-N 1 1 304.372 -1.320 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1=O ZINC000407950333 409353444 /nfs/dbraw/zinc/35/34/44/409353444.db2.gz ZJSHIYGLKRYRST-MRVPVSSYSA-N 1 1 304.372 -1.320 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000407951648 409353607 /nfs/dbraw/zinc/35/36/07/409353607.db2.gz RAFRIWBZINEOJX-NEPJUHHUSA-N 1 1 307.416 -1.697 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000407950334 409353622 /nfs/dbraw/zinc/35/36/22/409353622.db2.gz ZJSHIYGLKRYRST-QMMMGPOBSA-N 1 1 304.372 -1.320 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1=O ZINC000407950334 409353624 /nfs/dbraw/zinc/35/36/24/409353624.db2.gz ZJSHIYGLKRYRST-QMMMGPOBSA-N 1 1 304.372 -1.320 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000407950287 409353953 /nfs/dbraw/zinc/35/39/53/409353953.db2.gz RCXGFINVQQOPBU-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000407950287 409353957 /nfs/dbraw/zinc/35/39/57/409353957.db2.gz RCXGFINVQQOPBU-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCO)[NH+]1CCN(C)CC1 ZINC000340000628 409399671 /nfs/dbraw/zinc/39/96/71/409399671.db2.gz MRTFYKWXWCATLI-CYBMUJFWSA-N 1 1 314.430 -1.175 20 0 DAADMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000407951650 409354302 /nfs/dbraw/zinc/35/43/02/409354302.db2.gz RAFRIWBZINEOJX-RYUDHWBXSA-N 1 1 307.416 -1.697 20 0 DAADMO NC(=O)[C@H](O)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000647626810 409354516 /nfs/dbraw/zinc/35/45/16/409354516.db2.gz UOFWLOSMTQEDHR-CQSZACIVSA-N 1 1 320.393 -1.233 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC[N@@H+](C)C1 ZINC000413372265 409399747 /nfs/dbraw/zinc/39/97/47/409399747.db2.gz XNRCECNHVHHQIR-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351648218 409459311 /nfs/dbraw/zinc/45/93/11/409459311.db2.gz SOVQBNKHTBSULR-OQPBUACISA-N 1 1 300.359 -1.079 20 0 DAADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)CN(C)C)CC1=O ZINC000348837062 409401668 /nfs/dbraw/zinc/40/16/68/409401668.db2.gz GGDFGTMEVCDFAT-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN(C)C)CC1=O ZINC000348837062 409401675 /nfs/dbraw/zinc/40/16/75/409401675.db2.gz GGDFGTMEVCDFAT-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(=O)n(C)c(=O)n1C ZINC000647871580 409402346 /nfs/dbraw/zinc/40/23/46/409402346.db2.gz GWXNXCASEGFCOP-NSHDSACASA-N 1 1 312.370 -1.787 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000284451582 409403918 /nfs/dbraw/zinc/40/39/18/409403918.db2.gz UJSPFADGNKMKCX-VXGBXAGGSA-N 1 1 310.398 -1.029 20 0 DAADMO O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000659525685 409406642 /nfs/dbraw/zinc/40/66/42/409406642.db2.gz UEECJDPJTDACDT-KBPBESRZSA-N 1 1 322.409 -1.164 20 0 DAADMO C[NH+](C)CCN1CCN(C(=O)CS(=O)(=O)C2CC2)CC1=O ZINC000652733349 409407230 /nfs/dbraw/zinc/40/72/30/409407230.db2.gz FAHJACCMGJRXQL-UHFFFAOYSA-N 1 1 317.411 -1.204 20 0 DAADMO CN(C)C(=O)CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000341073043 409411013 /nfs/dbraw/zinc/41/10/13/409411013.db2.gz QUXWEBVLLLLXRK-AWEZNQCLSA-N 1 1 316.402 -1.153 20 0 DAADMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000340931842 409411053 /nfs/dbraw/zinc/41/10/53/409411053.db2.gz OWEKPPQRROORKG-OLZOCXBDSA-N 1 1 312.414 -1.326 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)NCCN1C(=O)CNC1=O ZINC000341150683 409411354 /nfs/dbraw/zinc/41/13/54/409411354.db2.gz ZAQJLZVNMOQXNN-UHFFFAOYSA-N 1 1 315.374 -1.194 20 0 DAADMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCCCN(C)S(C)(=O)=O ZINC000340906117 409411604 /nfs/dbraw/zinc/41/16/04/409411604.db2.gz AOTFELKETRGKQO-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330496401 409417103 /nfs/dbraw/zinc/41/71/03/409417103.db2.gz XZHRVPVGBYHGLL-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000330369389 409418823 /nfs/dbraw/zinc/41/88/23/409418823.db2.gz WXRWLRKMADUESL-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330720577 409420716 /nfs/dbraw/zinc/42/07/16/409420716.db2.gz XBNRKXJRYBKPLT-GMTAPVOTSA-N 1 1 307.416 -1.162 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000330683505 409422059 /nfs/dbraw/zinc/42/20/59/409422059.db2.gz ITZKZVOYNZIOOC-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC000330582263 409422316 /nfs/dbraw/zinc/42/23/16/409422316.db2.gz UYDVPGCETUYHIS-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000330582263 409422321 /nfs/dbraw/zinc/42/23/21/409422321.db2.gz UYDVPGCETUYHIS-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@H]1CNC(=O)CN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000330955862 409424890 /nfs/dbraw/zinc/42/48/90/409424890.db2.gz JYGIKJYCVKZECI-UWVGGRQHSA-N 1 1 315.395 -1.076 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000343300225 409427934 /nfs/dbraw/zinc/42/79/34/409427934.db2.gz IAWDNBKBFYMPKR-CYBMUJFWSA-N 1 1 311.430 -1.441 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343300225 409427938 /nfs/dbraw/zinc/42/79/38/409427938.db2.gz IAWDNBKBFYMPKR-CYBMUJFWSA-N 1 1 311.430 -1.441 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@@H]21)C1CC1 ZINC000343307598 409428242 /nfs/dbraw/zinc/42/82/42/409428242.db2.gz YUZGGGOLKJWUSP-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343288632 409428827 /nfs/dbraw/zinc/42/88/27/409428827.db2.gz RAXNFVOCJRDNSX-MNOVXSKESA-N 1 1 301.387 -1.213 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H]2C(=O)NC[C@@H]21)C1CC1 ZINC000343307603 409428855 /nfs/dbraw/zinc/42/88/55/409428855.db2.gz YUZGGGOLKJWUSP-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000344635594 409430348 /nfs/dbraw/zinc/43/03/48/409430348.db2.gz RLQIEFKQFUDIIR-HUUCEWRRSA-N 1 1 309.366 -1.218 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)C1 ZINC000344719791 409431885 /nfs/dbraw/zinc/43/18/85/409431885.db2.gz PELHOCOBTMPVOC-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)C1 ZINC000344719791 409431890 /nfs/dbraw/zinc/43/18/90/409431890.db2.gz PELHOCOBTMPVOC-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000345403733 409437612 /nfs/dbraw/zinc/43/76/12/409437612.db2.gz BWOOOSIIUQNBOE-UHFFFAOYSA-N 1 1 314.342 -1.751 20 0 DAADMO CC(C)OCC[NH+]1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC000345337918 409437998 /nfs/dbraw/zinc/43/79/98/409437998.db2.gz RXEHRJIHFMTQEA-NSHDSACASA-N 1 1 302.375 -1.415 20 0 DAADMO CNC(=O)N1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000346504585 409442625 /nfs/dbraw/zinc/44/26/25/409442625.db2.gz ROCAFAXBUYUNNC-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000347791819 409445296 /nfs/dbraw/zinc/44/52/96/409445296.db2.gz JGQYEDOOASGQRR-UHFFFAOYSA-N 1 1 305.356 -1.029 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347657158 409445747 /nfs/dbraw/zinc/44/57/47/409445747.db2.gz OYZUHMFEPTWKSV-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO CC[N@@H+](C)CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347643563 409446140 /nfs/dbraw/zinc/44/61/40/409446140.db2.gz AWACGCITTPJDMU-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347663010 409446550 /nfs/dbraw/zinc/44/65/50/409446550.db2.gz GHKGHRRNTPSYEK-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000347663010 409446556 /nfs/dbraw/zinc/44/65/56/409446556.db2.gz GHKGHRRNTPSYEK-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347974929 409447742 /nfs/dbraw/zinc/44/77/42/409447742.db2.gz WOPBXMMCGQOJSV-MNOVXSKESA-N 1 1 311.386 -2.305 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000347968654 409448247 /nfs/dbraw/zinc/44/82/47/409448247.db2.gz OMNFMVBWRYMWLE-RWMBFGLXSA-N 1 1 310.398 -1.262 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000347954945 409448317 /nfs/dbraw/zinc/44/83/17/409448317.db2.gz CNQRTPMQXASERP-ZJUUUORDSA-N 1 1 302.327 -1.384 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000347954945 409448321 /nfs/dbraw/zinc/44/83/21/409448321.db2.gz CNQRTPMQXASERP-ZJUUUORDSA-N 1 1 302.327 -1.384 20 0 DAADMO O=C(C[N@@H+](CCO)CCCO)N1CCN(C(=O)C2CC2)CC1 ZINC000348127810 409448375 /nfs/dbraw/zinc/44/83/75/409448375.db2.gz SWVRLVNXRVULIM-UHFFFAOYSA-N 1 1 313.398 -1.256 20 0 DAADMO O=C(C[N@H+](CCO)CCCO)N1CCN(C(=O)C2CC2)CC1 ZINC000348127810 409448378 /nfs/dbraw/zinc/44/83/78/409448378.db2.gz SWVRLVNXRVULIM-UHFFFAOYSA-N 1 1 313.398 -1.256 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000348001463 409448777 /nfs/dbraw/zinc/44/87/77/409448777.db2.gz BNQQEHKUDHYFGM-UHFFFAOYSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)[C@@H](C)C1 ZINC000350088145 409453333 /nfs/dbraw/zinc/45/33/33/409453333.db2.gz LCDWCHITLPGRAU-QWRGUYRKSA-N 1 1 322.431 -1.368 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000519757772 409455798 /nfs/dbraw/zinc/45/57/98/409455798.db2.gz JQILNBKENXBTNH-LLVKDONJSA-N 1 1 322.431 -1.366 20 0 DAADMO CN1C[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1=O ZINC000532254197 409456092 /nfs/dbraw/zinc/45/60/92/409456092.db2.gz DJFKUYHHMXTCBR-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000350735181 409456392 /nfs/dbraw/zinc/45/63/92/409456392.db2.gz DOVHHZRSDWEVGU-LLVKDONJSA-N 1 1 322.431 -1.366 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1O ZINC000351774342 409458421 /nfs/dbraw/zinc/45/84/21/409458421.db2.gz LZNHIZUTRDMJLX-OLZOCXBDSA-N 1 1 312.414 -1.469 20 0 DAADMO Cn1ccnc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001193619901 782011989 /nfs/dbraw/zinc/01/19/89/782011989.db2.gz PHXQVQCOUXWBOY-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001193593840 782011625 /nfs/dbraw/zinc/01/16/25/782011625.db2.gz MXDJYIOXTOEKFD-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352251303 409467331 /nfs/dbraw/zinc/46/73/31/409467331.db2.gz PIUWIVKOJCRCAO-UHFFFAOYSA-N 1 1 313.445 -1.203 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001193593840 782011628 /nfs/dbraw/zinc/01/16/28/782011628.db2.gz MXDJYIOXTOEKFD-LBPRGKRZSA-N 1 1 321.381 -1.170 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333439963 409467658 /nfs/dbraw/zinc/46/76/58/409467658.db2.gz WGCJGVSZTAXIEU-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000333439963 409467665 /nfs/dbraw/zinc/46/76/65/409467665.db2.gz WGCJGVSZTAXIEU-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](CCO)CC2CC2)c(=O)n(C)c1=O ZINC000352447574 409468275 /nfs/dbraw/zinc/46/82/75/409468275.db2.gz BLMSOCOMKLMFME-UHFFFAOYSA-N 1 1 310.354 -1.447 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](CCO)CC2CC2)c(=O)n(C)c1=O ZINC000352447574 409468283 /nfs/dbraw/zinc/46/82/83/409468283.db2.gz BLMSOCOMKLMFME-UHFFFAOYSA-N 1 1 310.354 -1.447 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332667264 409463010 /nfs/dbraw/zinc/46/30/10/409463010.db2.gz YNDGXKLKBHFCFJ-KBPBESRZSA-N 1 1 324.425 -1.182 20 0 DAADMO COC(=O)[C@H]1CSCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000332317381 409463411 /nfs/dbraw/zinc/46/34/11/409463411.db2.gz LRYWMPYEHQOPID-SNVBAGLBSA-N 1 1 315.395 -1.217 20 0 DAADMO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000332317381 409463413 /nfs/dbraw/zinc/46/34/13/409463413.db2.gz LRYWMPYEHQOPID-SNVBAGLBSA-N 1 1 315.395 -1.217 20 0 DAADMO CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@@H](C)O ZINC000352203023 409464433 /nfs/dbraw/zinc/46/44/33/409464433.db2.gz OMFVYYMMXWXTDE-CYBMUJFWSA-N 1 1 314.430 -1.079 20 0 DAADMO CN(CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)S(C)(=O)=O ZINC000332732336 409464945 /nfs/dbraw/zinc/46/49/45/409464945.db2.gz SBDWLVNIGIZYHI-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@@H](O)C[N@H+](CCO)CC(=O)NCCCN1CCCC1=O ZINC000351950974 409464991 /nfs/dbraw/zinc/46/49/91/409464991.db2.gz YBXQJYJESCQMDQ-GFCCVEGCSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)CC(=O)NCCCN1CCCC1=O ZINC000351950974 409464993 /nfs/dbraw/zinc/46/49/93/409464993.db2.gz YBXQJYJESCQMDQ-GFCCVEGCSA-N 1 1 301.387 -1.210 20 0 DAADMO CCS(=O)(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000333305000 409465412 /nfs/dbraw/zinc/46/54/12/409465412.db2.gz MZHPXIWPNCVGHJ-LLVKDONJSA-N 1 1 305.400 -1.285 20 0 DAADMO CCS(=O)(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000333305000 409465414 /nfs/dbraw/zinc/46/54/14/409465414.db2.gz MZHPXIWPNCVGHJ-LLVKDONJSA-N 1 1 305.400 -1.285 20 0 DAADMO C[C@H](O)C[N@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000351938118 409465506 /nfs/dbraw/zinc/46/55/06/409465506.db2.gz PLXXUKNOMWMCKZ-LBPRGKRZSA-N 1 1 313.398 -1.258 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000351938118 409465508 /nfs/dbraw/zinc/46/55/08/409465508.db2.gz PLXXUKNOMWMCKZ-LBPRGKRZSA-N 1 1 313.398 -1.258 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)C1 ZINC000351933303 409465566 /nfs/dbraw/zinc/46/55/66/409465566.db2.gz CGXKPLDKCDGECY-AAEUAGOBSA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](CCO)C[C@H](C)O)C1 ZINC000351933303 409465569 /nfs/dbraw/zinc/46/55/69/409465569.db2.gz CGXKPLDKCDGECY-AAEUAGOBSA-N 1 1 301.387 -1.211 20 0 DAADMO O=C(C[NH+]1CCC(N2CCCNC2=O)CC1)N1CCNC(=O)C1 ZINC000333022070 409465958 /nfs/dbraw/zinc/46/59/58/409465958.db2.gz ACKLBSYXDJTZTR-UHFFFAOYSA-N 1 1 323.397 -1.176 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652887104 409471989 /nfs/dbraw/zinc/47/19/89/409471989.db2.gz KDVWYLLFXKABOM-NEPJUHHUSA-N 1 1 317.411 -1.312 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652887104 409471994 /nfs/dbraw/zinc/47/19/94/409471994.db2.gz KDVWYLLFXKABOM-NEPJUHHUSA-N 1 1 317.411 -1.312 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@H]2COC[C@H]2O)COC1)[C@@H]1COC[C@@H]1O ZINC000352799736 409472339 /nfs/dbraw/zinc/47/23/39/409472339.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 1 1 316.398 -1.614 20 0 DAADMO CN(CC1(C[N@H+](C)[C@@H]2COC[C@@H]2O)COC1)[C@H]1COC[C@H]1O ZINC000352799736 409472344 /nfs/dbraw/zinc/47/23/44/409472344.db2.gz GFAROQROOKXRMR-LVEBTZEWSA-N 1 1 316.398 -1.614 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000353432494 409473717 /nfs/dbraw/zinc/47/37/17/409473717.db2.gz NRRPIIDENUDBLU-LLVKDONJSA-N 1 1 322.431 -1.054 20 0 DAADMO CN(C)c1nccc(N2CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC2)n1 ZINC000353724622 409474030 /nfs/dbraw/zinc/47/40/30/409474030.db2.gz UWSJCONHNONPOE-JTQLQIEISA-N 1 1 321.385 -1.606 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000333670782 409468998 /nfs/dbraw/zinc/46/89/98/409468998.db2.gz COHGOZKNKWVRFN-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890971 409471221 /nfs/dbraw/zinc/47/12/21/409471221.db2.gz WKJROHQGBVTJCC-LLVKDONJSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890971 409471228 /nfs/dbraw/zinc/47/12/28/409471228.db2.gz WKJROHQGBVTJCC-LLVKDONJSA-N 1 1 305.400 -1.455 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000354468539 409476680 /nfs/dbraw/zinc/47/66/80/409476680.db2.gz NPTCRIRDDFIARA-JQWIXIFHSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cn[nH]n2)CC1=O ZINC000354139052 409477697 /nfs/dbraw/zinc/47/76/97/409477697.db2.gz OOHZFKIEVJAXEQ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnn[nH]2)CC1=O ZINC000354139052 409477702 /nfs/dbraw/zinc/47/77/02/409477702.db2.gz OOHZFKIEVJAXEQ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cnn[nH]2)CC1=O ZINC000354139052 409477706 /nfs/dbraw/zinc/47/77/06/409477706.db2.gz OOHZFKIEVJAXEQ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000354405203 409478558 /nfs/dbraw/zinc/47/85/58/409478558.db2.gz PVWBJTFQJPTLPT-SDDRHHMPSA-N 1 1 314.386 -1.273 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054164 409481181 /nfs/dbraw/zinc/48/11/81/409481181.db2.gz JIMXHGNKQOLBLI-SFYZADRCSA-N 1 1 310.314 -1.105 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000354521382 409478684 /nfs/dbraw/zinc/47/86/84/409478684.db2.gz HYYBTWCIMORBDP-UWVGGRQHSA-N 1 1 322.431 -1.376 20 0 DAADMO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)C(=O)NC(N)=O)C2)nn1 ZINC000355054164 409481184 /nfs/dbraw/zinc/48/11/84/409481184.db2.gz JIMXHGNKQOLBLI-SFYZADRCSA-N 1 1 310.314 -1.105 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000354841594 409480686 /nfs/dbraw/zinc/48/06/86/409480686.db2.gz FRSWVIPONFUKGP-AWEZNQCLSA-N 1 1 304.387 -1.073 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000354686592 409481029 /nfs/dbraw/zinc/48/10/29/409481029.db2.gz IPYYSIKGBOPKRR-LLVKDONJSA-N 1 1 309.326 -1.221 20 0 DAADMO COC(=O)c1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000354686592 409481033 /nfs/dbraw/zinc/48/10/33/409481033.db2.gz IPYYSIKGBOPKRR-LLVKDONJSA-N 1 1 309.326 -1.221 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000353576654 409474613 /nfs/dbraw/zinc/47/46/13/409474613.db2.gz IYPHSUBUZYVMJT-LBPRGKRZSA-N 1 1 320.349 -1.121 20 0 DAADMO C[N@@H+](CCC(N)=O)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000353198065 409474928 /nfs/dbraw/zinc/47/49/28/409474928.db2.gz YEXHVTDRXYVGLW-UHFFFAOYSA-N 1 1 306.370 -1.068 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000355367357 409484254 /nfs/dbraw/zinc/48/42/54/409484254.db2.gz OGIAJBIETCBORY-GHMZBOCLSA-N 1 1 322.431 -1.368 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356253889 409487498 /nfs/dbraw/zinc/48/74/98/409487498.db2.gz NHJMLLHYFUUKFC-LBPRGKRZSA-N 1 1 304.416 -1.016 20 0 DAADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000355127553 409481304 /nfs/dbraw/zinc/48/13/04/409481304.db2.gz GMOATJQEYQJONN-WOPDTQHZSA-N 1 1 313.398 -1.071 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cn(CC(=O)OC)nn2)C1 ZINC000355116482 409481339 /nfs/dbraw/zinc/48/13/39/409481339.db2.gz IDYMUOSCQGVBQN-LLVKDONJSA-N 1 1 311.342 -1.212 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cn(CC(=O)OC)nn2)C1 ZINC000355116482 409481343 /nfs/dbraw/zinc/48/13/43/409481343.db2.gz IDYMUOSCQGVBQN-LLVKDONJSA-N 1 1 311.342 -1.212 20 0 DAADMO CCOC[C@H](O)CN1CC[N@@H+](C[C@@H](O)COCC)CC(O)C1 ZINC000354791496 409481520 /nfs/dbraw/zinc/48/15/20/409481520.db2.gz NMVXPSICMGNQCE-HUUCEWRRSA-N 1 1 320.430 -1.240 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)NCCN1CCNC(=O)C1 ZINC000358568208 409496995 /nfs/dbraw/zinc/49/69/95/409496995.db2.gz KYWHIESJLWXALF-UHFFFAOYSA-N 1 1 313.402 -1.560 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000358574909 409497045 /nfs/dbraw/zinc/49/70/45/409497045.db2.gz VANORJSUWMNMQG-CFMSYZGJSA-N 1 1 307.416 -1.436 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000358574909 409497050 /nfs/dbraw/zinc/49/70/50/409497050.db2.gz VANORJSUWMNMQG-CFMSYZGJSA-N 1 1 307.416 -1.436 20 0 DAADMO C[C@@H]1[C@H](C)N(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000357064562 409490801 /nfs/dbraw/zinc/49/08/01/409490801.db2.gz IGYWJWIAAPIFME-ZJUUUORDSA-N 1 1 323.397 -1.127 20 0 DAADMO CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000357428881 409493668 /nfs/dbraw/zinc/49/36/68/409493668.db2.gz AZAMKXKZWYNZGG-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H](COC)C1 ZINC000358559412 409497226 /nfs/dbraw/zinc/49/72/26/409497226.db2.gz JLNJJOJHGIKFKC-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426491761 409558394 /nfs/dbraw/zinc/55/83/94/409558394.db2.gz JXETUZHCPCNMLH-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426491761 409558400 /nfs/dbraw/zinc/55/84/00/409558400.db2.gz JXETUZHCPCNMLH-RYUDHWBXSA-N 1 1 316.402 -1.155 20 0 DAADMO O=C(NCCCn1nc2n(c1=O)CCCC2)[C@@H]1COCC[NH2+]1 ZINC000429974268 409564145 /nfs/dbraw/zinc/56/41/45/409564145.db2.gz ONXDIJVVHSEBDU-NSHDSACASA-N 1 1 309.370 -1.124 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CCNCC1=O ZINC000430903950 409570019 /nfs/dbraw/zinc/57/00/19/409570019.db2.gz MYLIHYNSKZBKQY-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](CO)[C@H](C)C1 ZINC000358568957 409497566 /nfs/dbraw/zinc/49/75/66/409497566.db2.gz HMRPIJLUTSZSQE-VXGBXAGGSA-N 1 1 301.387 -1.232 20 0 DAADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000359272246 409499009 /nfs/dbraw/zinc/49/90/09/409499009.db2.gz LZZGHJWUEAQOAS-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358702307 409499197 /nfs/dbraw/zinc/49/91/97/409499197.db2.gz JEHRRQWDFHGVQK-LBPRGKRZSA-N 1 1 322.431 -1.320 20 0 DAADMO C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358724277 409499585 /nfs/dbraw/zinc/49/95/85/409499585.db2.gz QRMHSXYDCCBNTD-DZGCQCFKSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358724277 409499592 /nfs/dbraw/zinc/49/95/92/409499592.db2.gz QRMHSXYDCCBNTD-DZGCQCFKSA-N 1 1 313.446 -1.012 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCO1 ZINC000359320523 409499694 /nfs/dbraw/zinc/49/96/94/409499694.db2.gz QOIARAKYNSNXHW-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000358728275 409499776 /nfs/dbraw/zinc/49/97/76/409499776.db2.gz XWBIWKVVJMBRJQ-AWEZNQCLSA-N 1 1 312.370 -1.109 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358702305 409499807 /nfs/dbraw/zinc/49/98/07/409499807.db2.gz JEHRRQWDFHGVQK-GFCCVEGCSA-N 1 1 322.431 -1.320 20 0 DAADMO CCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000359407292 409500103 /nfs/dbraw/zinc/50/01/03/409500103.db2.gz CNBGPZWTVAVWLC-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359436459 409502368 /nfs/dbraw/zinc/50/23/68/409502368.db2.gz XFLPGLJGJGRYKD-JTQLQIEISA-N 1 1 322.431 -1.372 20 0 DAADMO CC(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000359419207 409503002 /nfs/dbraw/zinc/50/30/02/409503002.db2.gz UVVXQOWQVBJQSH-JTQLQIEISA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)S(N)(=O)=O ZINC000359432082 409503032 /nfs/dbraw/zinc/50/30/32/409503032.db2.gz RUBZWIUQGHTQTK-DTWKUNHWSA-N 1 1 320.415 -1.622 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361391994 409511179 /nfs/dbraw/zinc/51/11/79/409511179.db2.gz RMDYWRNZXGHTAZ-UHFFFAOYSA-N 1 1 321.399 -1.321 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000371661152 409512161 /nfs/dbraw/zinc/51/21/61/409512161.db2.gz YAVIFNVXSXEYHW-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000371661152 409512165 /nfs/dbraw/zinc/51/21/65/409512165.db2.gz YAVIFNVXSXEYHW-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000371661149 409512290 /nfs/dbraw/zinc/51/22/90/409512290.db2.gz YAVIFNVXSXEYHW-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000371661149 409512292 /nfs/dbraw/zinc/51/22/92/409512292.db2.gz YAVIFNVXSXEYHW-NXEZZACHSA-N 1 1 302.327 -1.072 20 0 DAADMO CN1CCN(C(=O)CC[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000369815448 409512471 /nfs/dbraw/zinc/51/24/71/409512471.db2.gz ZPKQWPXFEUFVGV-GFCCVEGCSA-N 1 1 323.397 -2.207 20 0 DAADMO CN1CCN(C(=O)CC[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000369815448 409512473 /nfs/dbraw/zinc/51/24/73/409512473.db2.gz ZPKQWPXFEUFVGV-GFCCVEGCSA-N 1 1 323.397 -2.207 20 0 DAADMO O=C(NCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccn[nH]1 ZINC000373304110 409513574 /nfs/dbraw/zinc/51/35/74/409513574.db2.gz QWCZZQIFLAFKJV-LBPRGKRZSA-N 1 1 306.370 -1.354 20 0 DAADMO CC(C)(CNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCOCC1 ZINC000372167855 409516650 /nfs/dbraw/zinc/51/66/50/409516650.db2.gz WTUNAODTQNBLTK-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO CC(C)(CNC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCOCC1 ZINC000372167855 409516658 /nfs/dbraw/zinc/51/66/58/409516658.db2.gz WTUNAODTQNBLTK-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659706607 409522871 /nfs/dbraw/zinc/52/28/71/409522871.db2.gz NRPKEQGQOQXBFB-MQYJIDSJSA-N 1 1 310.398 -1.227 20 0 DAADMO CCN1C(=O)[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCN2C1=O ZINC000377996275 409524169 /nfs/dbraw/zinc/52/41/69/409524169.db2.gz GJUYUFGPBOGMMQ-GHMZBOCLSA-N 1 1 310.354 -1.188 20 0 DAADMO CCN1C(=O)[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCN2C1=O ZINC000377996275 409524175 /nfs/dbraw/zinc/52/41/75/409524175.db2.gz GJUYUFGPBOGMMQ-GHMZBOCLSA-N 1 1 310.354 -1.188 20 0 DAADMO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCN2C1=O ZINC000377996278 409524796 /nfs/dbraw/zinc/52/47/96/409524796.db2.gz GJUYUFGPBOGMMQ-WDEREUQCSA-N 1 1 310.354 -1.188 20 0 DAADMO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCN2C1=O ZINC000377996278 409524804 /nfs/dbraw/zinc/52/48/04/409524804.db2.gz GJUYUFGPBOGMMQ-WDEREUQCSA-N 1 1 310.354 -1.188 20 0 DAADMO CN(CC(=O)N1CCOCC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378302080 409524952 /nfs/dbraw/zinc/52/49/52/409524952.db2.gz TVJUACYEYTVJHS-CYBMUJFWSA-N 1 1 310.398 -1.307 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535440 409532116 /nfs/dbraw/zinc/53/21/16/409532116.db2.gz RNLMNJLBLXIGFB-CHWSQXEVSA-N 1 1 323.459 -1.061 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659725205 409535261 /nfs/dbraw/zinc/53/52/61/409535261.db2.gz TZDVFKWYPIRGGT-SNVBAGLBSA-N 1 1 320.340 -1.370 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000653535441 409535432 /nfs/dbraw/zinc/53/54/32/409535432.db2.gz RNLMNJLBLXIGFB-OLZOCXBDSA-N 1 1 323.459 -1.061 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420178318 409539554 /nfs/dbraw/zinc/53/95/54/409539554.db2.gz TXHFYEGRHRDPCL-UHFFFAOYSA-N 1 1 318.324 -1.176 20 0 DAADMO COC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000420166644 409541137 /nfs/dbraw/zinc/54/11/37/409541137.db2.gz IZOBQSACUPKQQL-BDAKNGLRSA-N 1 1 309.313 -1.041 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000422289666 409544298 /nfs/dbraw/zinc/54/42/98/409544298.db2.gz ZMYPHUPNVHRFDH-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000514937153 409550455 /nfs/dbraw/zinc/55/04/55/409550455.db2.gz JNBJROGTUOESAU-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000514946605 409550889 /nfs/dbraw/zinc/55/08/89/409550889.db2.gz HZKCIPAKQYUFGL-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000514989345 409552891 /nfs/dbraw/zinc/55/28/91/409552891.db2.gz CYEDEPOLPFDATL-VXGBXAGGSA-N 1 1 309.432 -1.451 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN(C)C(=O)OC)CC1 ZINC000496426087 409618513 /nfs/dbraw/zinc/61/85/13/409618513.db2.gz VTLYERIONOKPBI-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000499696701 409619159 /nfs/dbraw/zinc/61/91/59/409619159.db2.gz PVWBJTFQJPTLPT-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO CN1CC(=O)N(CC[N@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000659978923 409619879 /nfs/dbraw/zinc/61/98/79/409619879.db2.gz QBTMOKWVNBWPPI-UHFFFAOYSA-N 1 1 318.399 -1.152 20 0 DAADMO CN1CC(=O)N(CC[N@@H+](C)CCN2CCCS2(=O)=O)C1=O ZINC000659978923 409619880 /nfs/dbraw/zinc/61/98/80/409619880.db2.gz QBTMOKWVNBWPPI-UHFFFAOYSA-N 1 1 318.399 -1.152 20 0 DAADMO CN(C(=O)CN1CC[NH+](C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000646572887 409625109 /nfs/dbraw/zinc/62/51/09/409625109.db2.gz ZFCGWNDAPKBPLX-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CN1CC(=O)NC1=O ZINC000646454444 409625893 /nfs/dbraw/zinc/62/58/93/409625893.db2.gz FUHQKFWHMTTYTQ-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000646795577 409627837 /nfs/dbraw/zinc/62/78/37/409627837.db2.gz RWZUDOAIZDKHFN-NSHDSACASA-N 1 1 322.431 -1.404 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C[NH2+]C(CO)CO)C1 ZINC000516934994 409628787 /nfs/dbraw/zinc/62/87/87/409628787.db2.gz GNJLTXOHVFAODK-ZDUSSCGKSA-N 1 1 303.403 -1.598 20 0 DAADMO Cn1cnnc1N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000653817474 409629907 /nfs/dbraw/zinc/62/99/07/409629907.db2.gz JQEISFGYWSNVLE-UHFFFAOYSA-N 1 1 307.402 -1.289 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCn2ncnc2C1 ZINC000517191385 409632613 /nfs/dbraw/zinc/63/26/13/409632613.db2.gz JBFZNWCRTFLZDP-SNVBAGLBSA-N 1 1 304.354 -1.027 20 0 DAADMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827402 409633533 /nfs/dbraw/zinc/63/35/33/409633533.db2.gz ZFPFZRKHKQXBQO-FPMFFAJLSA-N 1 1 324.425 -1.137 20 0 DAADMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)NCC(=O)N1CCCC1 ZINC000653825810 409634859 /nfs/dbraw/zinc/63/48/59/409634859.db2.gz KNYMLWKCDFIVAI-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000524569736 409638713 /nfs/dbraw/zinc/63/87/13/409638713.db2.gz WXTCEOTYSWXGQG-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C)C(=O)C2)CC1 ZINC000524906387 409639515 /nfs/dbraw/zinc/63/95/15/409639515.db2.gz UYVIZUDGAODEOH-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000430716344 409571381 /nfs/dbraw/zinc/57/13/81/409571381.db2.gz VMKZDDTUVNWLPC-LLVKDONJSA-N 1 1 317.353 -1.239 20 0 DAADMO C[N@@H+](CCC(=O)N1CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000434984099 409576231 /nfs/dbraw/zinc/57/62/31/409576231.db2.gz VGLWEHKJTPASPW-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435004337 409578224 /nfs/dbraw/zinc/57/82/24/409578224.db2.gz RXCWMGVZZQDNCD-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435004337 409578234 /nfs/dbraw/zinc/57/82/34/409578234.db2.gz RXCWMGVZZQDNCD-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CCNC(=O)CNc1nc(NC)nc(NCC(=O)NCC)[nH+]1 ZINC000436191680 409581513 /nfs/dbraw/zinc/58/15/13/409581513.db2.gz YWIAHLFPZBFHOT-UHFFFAOYSA-N 1 1 310.362 -2.725 20 0 DAADMO CCN(CC(O)C[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440960800 409584985 /nfs/dbraw/zinc/58/49/85/409584985.db2.gz UMHNVPJWYRLGCF-STQMWFEESA-N 1 1 312.414 -1.232 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(=O)[nH]c1=O ZINC000441335595 409585267 /nfs/dbraw/zinc/58/52/67/409585267.db2.gz ZOFYYMJDHKWGLS-XCBNKYQSSA-N 1 1 323.353 -1.152 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)S(N)(=O)=O ZINC000442276215 409586475 /nfs/dbraw/zinc/58/64/75/409586475.db2.gz TWBGUYPTALZEPC-OPRDCNLKSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)S(N)(=O)=O ZINC000442276215 409586487 /nfs/dbraw/zinc/58/64/87/409586487.db2.gz TWBGUYPTALZEPC-OPRDCNLKSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)S(N)(=O)=O ZINC000442276212 409586571 /nfs/dbraw/zinc/58/65/71/409586571.db2.gz TWBGUYPTALZEPC-BBBLOLIVSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)S(N)(=O)=O ZINC000442276212 409586576 /nfs/dbraw/zinc/58/65/76/409586576.db2.gz TWBGUYPTALZEPC-BBBLOLIVSA-N 1 1 320.415 -1.669 20 0 DAADMO CCNS(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443275515 409587235 /nfs/dbraw/zinc/58/72/35/409587235.db2.gz PGBMHOBPPASBPW-UHFFFAOYSA-N 1 1 308.448 -1.180 20 0 DAADMO CCN(CC(O)C[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440960788 409587483 /nfs/dbraw/zinc/58/74/83/409587483.db2.gz UMHNVPJWYRLGCF-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO Cn1c2[nH]c(C[NH2+][C@H](CO)[C@@H]3CCCO3)nc2c(=O)n(C)c1=O ZINC000447911154 409591823 /nfs/dbraw/zinc/59/18/23/409591823.db2.gz DRMXMUDVZRQKIA-BDAKNGLRSA-N 1 1 323.353 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000447263697 409592326 /nfs/dbraw/zinc/59/23/26/409592326.db2.gz KFWNESKAIJGCNG-XLWJZTARSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000447263697 409592330 /nfs/dbraw/zinc/59/23/30/409592330.db2.gz KFWNESKAIJGCNG-XLWJZTARSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000447263697 409592334 /nfs/dbraw/zinc/59/23/34/409592334.db2.gz KFWNESKAIJGCNG-XLWJZTARSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000447263697 409592339 /nfs/dbraw/zinc/59/23/39/409592339.db2.gz KFWNESKAIJGCNG-XLWJZTARSA-N 1 1 318.414 -1.490 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000646118723 409600604 /nfs/dbraw/zinc/60/06/04/409600604.db2.gz ALTKVSVYFWNLBY-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1=O ZINC000646119639 409601068 /nfs/dbraw/zinc/60/10/68/409601068.db2.gz OOSJCUXDSOOWIB-JTQLQIEISA-N 1 1 307.354 -1.394 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1CCNCC1=O ZINC000646061151 409601174 /nfs/dbraw/zinc/60/11/74/409601174.db2.gz LINJERNWDLBUSY-UHFFFAOYSA-N 1 1 311.430 -1.486 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646025236 409602039 /nfs/dbraw/zinc/60/20/39/409602039.db2.gz NHZDVLIJQYUWPH-STQMWFEESA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646025236 409602044 /nfs/dbraw/zinc/60/20/44/409602044.db2.gz NHZDVLIJQYUWPH-STQMWFEESA-N 1 1 307.350 -1.150 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000492595509 409607607 /nfs/dbraw/zinc/60/76/07/409607607.db2.gz NNGSDGDMPSAHIX-WAYWQWQTSA-N 1 1 324.381 -1.472 20 0 DAADMO COC(=O)NCCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000491969881 409608185 /nfs/dbraw/zinc/60/81/85/409608185.db2.gz VWUZHMZIFVQGFP-CYBMUJFWSA-N 1 1 303.359 -1.068 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC(C[NH+]3CCOCC3)C2)c1=O ZINC000646355733 409608989 /nfs/dbraw/zinc/60/89/89/409608989.db2.gz UDQBOEIJILBBJL-UHFFFAOYSA-N 1 1 322.365 -1.662 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494840151 409614170 /nfs/dbraw/zinc/61/41/70/409614170.db2.gz YWJXXLXZEFWMEW-UHFFFAOYSA-N 1 1 323.463 -1.618 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494840151 409614173 /nfs/dbraw/zinc/61/41/73/409614173.db2.gz YWJXXLXZEFWMEW-UHFFFAOYSA-N 1 1 323.463 -1.618 20 0 DAADMO CO[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCOC1 ZINC000659725581 409693156 /nfs/dbraw/zinc/69/31/56/409693156.db2.gz XTJMHLVNYGMPMF-RKDXNWHRSA-N 1 1 309.313 -1.136 20 0 DAADMO CO[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H]1CCOC1 ZINC000659725578 409693626 /nfs/dbraw/zinc/69/36/26/409693626.db2.gz XTJMHLVNYGMPMF-BDAKNGLRSA-N 1 1 309.313 -1.136 20 0 DAADMO CCN1C(=O)[C@H]2C[N@H+](CCN3C(=O)CN(C)C3=O)CCN2C1=O ZINC000659994578 409700412 /nfs/dbraw/zinc/70/04/12/409700412.db2.gz NPPJDJWWJDDWTR-SNVBAGLBSA-N 1 1 323.353 -1.151 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](CCN3C(=O)CN(C)C3=O)CCN2C1=O ZINC000659994578 409700423 /nfs/dbraw/zinc/70/04/23/409700423.db2.gz NPPJDJWWJDDWTR-SNVBAGLBSA-N 1 1 323.353 -1.151 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661679354 409705235 /nfs/dbraw/zinc/70/52/35/409705235.db2.gz DECIHQUBBVUHSG-CHWSQXEVSA-N 1 1 323.459 -1.109 20 0 DAADMO O=C(C[N@@H+](CCN1CCOCC1)CC1CC1)N1CCNC(=O)C1 ZINC000661976729 409708415 /nfs/dbraw/zinc/70/84/15/409708415.db2.gz VPUNIZJMUMYVFS-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(=O)n(C)c1=O ZINC000662031990 409709243 /nfs/dbraw/zinc/70/92/43/409709243.db2.gz HRFHLLYXZHVLPW-VHSXEESVSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)c(=O)n(C)c1=O ZINC000662031990 409709253 /nfs/dbraw/zinc/70/92/53/409709253.db2.gz HRFHLLYXZHVLPW-VHSXEESVSA-N 1 1 322.365 -1.183 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CCNC(=O)C1 ZINC000662062923 409709977 /nfs/dbraw/zinc/70/99/77/409709977.db2.gz SIYKGZWTXJSHOV-GFCCVEGCSA-N 1 1 308.382 -1.111 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CCNC(=O)C1 ZINC000662062923 409709989 /nfs/dbraw/zinc/70/99/89/409709989.db2.gz SIYKGZWTXJSHOV-GFCCVEGCSA-N 1 1 308.382 -1.111 20 0 DAADMO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000528622029 409642652 /nfs/dbraw/zinc/64/26/52/409642652.db2.gz GKGXXJRMOQGQRE-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000528622029 409642679 /nfs/dbraw/zinc/64/26/79/409642679.db2.gz GKGXXJRMOQGQRE-LBPRGKRZSA-N 1 1 314.386 -1.135 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)S1(=O)=O ZINC000648872855 409643730 /nfs/dbraw/zinc/64/37/30/409643730.db2.gz WNEJSTHYPOMMOA-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)S1(=O)=O ZINC000648872855 409643734 /nfs/dbraw/zinc/64/37/34/409643734.db2.gz WNEJSTHYPOMMOA-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528508334 409643829 /nfs/dbraw/zinc/64/38/29/409643829.db2.gz ZCJNVJQBWBMVQY-LLVKDONJSA-N 1 1 307.416 -1.266 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](C)C1 ZINC000648866169 409643899 /nfs/dbraw/zinc/64/38/99/409643899.db2.gz GQDUNJDEMXVPKZ-SRVKXCTJSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCN(C)S2(=O)=O)[C@@H](C)C1 ZINC000648866169 409643902 /nfs/dbraw/zinc/64/39/02/409643902.db2.gz GQDUNJDEMXVPKZ-SRVKXCTJSA-N 1 1 319.427 -1.066 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528739065 409643970 /nfs/dbraw/zinc/64/39/70/409643970.db2.gz RHKWNVWDELPYRU-AWEZNQCLSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](C)C1 ZINC000648866168 409644436 /nfs/dbraw/zinc/64/44/36/409644436.db2.gz GQDUNJDEMXVPKZ-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](C)C1 ZINC000648866168 409644440 /nfs/dbraw/zinc/64/44/40/409644440.db2.gz GQDUNJDEMXVPKZ-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529388603 409646966 /nfs/dbraw/zinc/64/69/66/409646966.db2.gz RHTZVIKRVCEVQT-GFCCVEGCSA-N 1 1 310.402 -1.299 20 0 DAADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000649303538 409654124 /nfs/dbraw/zinc/65/41/24/409654124.db2.gz FPRHMUDFFZLKKH-NSHDSACASA-N 1 1 320.415 -2.332 20 0 DAADMO COC(=O)CN(C)C(=O)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576292251 409658805 /nfs/dbraw/zinc/65/88/05/409658805.db2.gz ISBUXYXCNUBKEA-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO COC(=O)CN(C)C(=O)CCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576292249 409658861 /nfs/dbraw/zinc/65/88/61/409658861.db2.gz ISBUXYXCNUBKEA-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654051981 409660480 /nfs/dbraw/zinc/66/04/80/409660480.db2.gz PNWVZLOSOVQYQW-GARJFASQSA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654051981 409660483 /nfs/dbraw/zinc/66/04/83/409660483.db2.gz PNWVZLOSOVQYQW-GARJFASQSA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000576481006 409660524 /nfs/dbraw/zinc/66/05/24/409660524.db2.gz WTWZDHNSGJZFIP-JQWIXIFHSA-N 1 1 323.397 -1.192 20 0 DAADMO CS(=O)(=O)NCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654365119 409662097 /nfs/dbraw/zinc/66/20/97/409662097.db2.gz VHWUMUWGDIBVMA-VHSXEESVSA-N 1 1 306.388 -2.004 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654439872 409662763 /nfs/dbraw/zinc/66/27/63/409662763.db2.gz YLNRNDIPWILDSP-MELADBBJSA-N 1 1 311.430 -1.307 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654439872 409662772 /nfs/dbraw/zinc/66/27/72/409662772.db2.gz YLNRNDIPWILDSP-MELADBBJSA-N 1 1 311.430 -1.307 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654439871 409664085 /nfs/dbraw/zinc/66/40/85/409664085.db2.gz YLNRNDIPWILDSP-BFHYXJOUSA-N 1 1 311.430 -1.307 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654439871 409664094 /nfs/dbraw/zinc/66/40/94/409664094.db2.gz YLNRNDIPWILDSP-BFHYXJOUSA-N 1 1 311.430 -1.307 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(=O)n1C ZINC000654756722 409666221 /nfs/dbraw/zinc/66/62/21/409666221.db2.gz HOQJDQVMVFLDJP-NSHDSACASA-N 1 1 310.402 -1.358 20 0 DAADMO Cc1nn(CC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(=O)n1C ZINC000654756721 409666760 /nfs/dbraw/zinc/66/67/60/409666760.db2.gz HOQJDQVMVFLDJP-LLVKDONJSA-N 1 1 310.402 -1.358 20 0 DAADMO Cc1nn(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)c(=O)n1C ZINC000654780187 409666990 /nfs/dbraw/zinc/66/69/90/409666990.db2.gz PAXAGMROVSKONW-UHFFFAOYSA-N 1 1 324.385 -1.829 20 0 DAADMO O=C(N[C@H]1CCc2nnnn2CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654597141 409667331 /nfs/dbraw/zinc/66/73/31/409667331.db2.gz RKYRWQUHDOIAPX-SDDRHHMPSA-N 1 1 321.385 -1.162 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)C[NH+]2CCOCC2)c(=O)n1C ZINC000654820334 409667538 /nfs/dbraw/zinc/66/75/38/409667538.db2.gz SVPNONREHQGDGE-NSHDSACASA-N 1 1 311.386 -1.025 20 0 DAADMO Cc1nn(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(=O)n1C ZINC000655007901 409669289 /nfs/dbraw/zinc/66/92/89/409669289.db2.gz PXGKIMNHPZKQRU-MNOVXSKESA-N 1 1 311.386 -1.196 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c(=O)n1C ZINC000655121932 409669435 /nfs/dbraw/zinc/66/94/35/409669435.db2.gz XLPKOTDMXLNIKT-LBPRGKRZSA-N 1 1 311.386 -1.147 20 0 DAADMO CCN(C(=O)C(=O)N1CCO[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658807402 409671211 /nfs/dbraw/zinc/67/12/11/409671211.db2.gz NVYSKYQEGUWNMA-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN1CCS(=O)(=O)C[C@H]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096214 409671309 /nfs/dbraw/zinc/67/13/09/409671309.db2.gz LXRVNSXULMHGDK-WOPDTQHZSA-N 1 1 319.427 -1.761 20 0 DAADMO Cc1nn(CC(=O)NCCC[N@H+](C)CCN(C)C)c(=O)n1C ZINC000655082654 409671822 /nfs/dbraw/zinc/67/18/22/409671822.db2.gz LGPYQSSYBNQCLY-UHFFFAOYSA-N 1 1 312.418 -1.110 20 0 DAADMO Cc1nn(CC(=O)NCCCN(C)CC[NH+](C)C)c(=O)n1C ZINC000655082654 409671836 /nfs/dbraw/zinc/67/18/36/409671836.db2.gz LGPYQSSYBNQCLY-UHFFFAOYSA-N 1 1 312.418 -1.110 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(=O)n1C ZINC000655150078 409673264 /nfs/dbraw/zinc/67/32/64/409673264.db2.gz PLVFSOZZMQBORO-QWRGUYRKSA-N 1 1 311.386 -1.196 20 0 DAADMO Cn1c2ncn(CC[N@@H+]3CCNC(=O)CC3)c2c(=O)n(C)c1=O ZINC000054258867 409674212 /nfs/dbraw/zinc/67/42/12/409674212.db2.gz LLDIYQNWLHADLD-UHFFFAOYSA-N 1 1 320.353 -1.744 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCNC(=O)CC3)c2c(=O)n(C)c1=O ZINC000054258867 409674218 /nfs/dbraw/zinc/67/42/18/409674218.db2.gz LLDIYQNWLHADLD-UHFFFAOYSA-N 1 1 320.353 -1.744 20 0 DAADMO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2(O)CNC2)c1 ZINC000662403417 409711505 /nfs/dbraw/zinc/71/15/05/409711505.db2.gz VYPZFBQXVGQKPX-UHFFFAOYSA-N 1 1 314.367 -1.804 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2CO)CC[N@@H+]1CCO ZINC000658104259 409681316 /nfs/dbraw/zinc/68/13/16/409681316.db2.gz HEYUBYSOHQXDKX-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2CO)CC[N@H+]1CCO ZINC000658104259 409681320 /nfs/dbraw/zinc/68/13/20/409681320.db2.gz HEYUBYSOHQXDKX-GFCCVEGCSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000659681894 409688222 /nfs/dbraw/zinc/68/82/22/409688222.db2.gz DHRWARQBUFYXGD-QWHCGFSZSA-N 1 1 313.446 -1.162 20 0 DAADMO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCN1CCOC ZINC000659700924 409688702 /nfs/dbraw/zinc/68/87/02/409688702.db2.gz XBGABOBWUMABPD-NEPJUHHUSA-N 1 1 300.403 -1.063 20 0 DAADMO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000659697889 409690540 /nfs/dbraw/zinc/69/05/40/409690540.db2.gz GLWGKJMUXCKGBX-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000663773578 409729612 /nfs/dbraw/zinc/72/96/12/409729612.db2.gz GWWAYBLXBQEYAF-NSHDSACASA-N 1 1 319.431 -1.128 20 0 DAADMO C[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)S(N)(=O)=O ZINC000664957442 409731979 /nfs/dbraw/zinc/73/19/79/409731979.db2.gz FMRZKUSPYSNVPP-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000665017649 409735757 /nfs/dbraw/zinc/73/57/57/409735757.db2.gz QCJRPXRNWAIEMJ-JTQLQIEISA-N 1 1 307.420 -1.224 20 0 DAADMO CC[NH+]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000665018489 409736770 /nfs/dbraw/zinc/73/67/70/409736770.db2.gz SJSIPHKSGWLXQO-UHFFFAOYSA-N 1 1 307.420 -1.271 20 0 DAADMO NS(=O)(=O)CCOCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000665105258 409740470 /nfs/dbraw/zinc/74/04/70/409740470.db2.gz QWLHHPIXPUZPJD-UHFFFAOYSA-N 1 1 320.415 -1.147 20 0 DAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000340340495 409749618 /nfs/dbraw/zinc/74/96/18/409749618.db2.gz UMFNIGRSNKZXGF-JTQLQIEISA-N 1 1 324.385 -0.943 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000340340495 409749625 /nfs/dbraw/zinc/74/96/25/409749625.db2.gz UMFNIGRSNKZXGF-JTQLQIEISA-N 1 1 324.385 -0.943 20 0 DAADMO COC(=O)c1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)nn1 ZINC000599785597 409768671 /nfs/dbraw/zinc/76/86/71/409768671.db2.gz ZYAJSENVTTWQCE-SECBINFHSA-N 1 1 309.326 -0.549 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578267 409713639 /nfs/dbraw/zinc/71/36/39/409713639.db2.gz SJQQXUSFGBJDDT-LLVKDONJSA-N 1 1 321.399 -1.906 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H]3CSC[NH2+]3)C[C@H]21 ZINC000662890522 409717519 /nfs/dbraw/zinc/71/75/19/409717519.db2.gz UOSXJKDXCDPLCE-JLIMGVALSA-N 1 1 306.409 -1.081 20 0 DAADMO O=C(NC[C@H]1CCCN(C(=O)C2(O)CNC2)C1)[C@@H]1CCC[NH2+]1 ZINC000662760960 409718225 /nfs/dbraw/zinc/71/82/25/409718225.db2.gz JMDBBWNCSHDNID-NEPJUHHUSA-N 1 1 310.398 -1.573 20 0 DAADMO O=C(NC[C@@H]1CCCN(C(=O)C2(O)CNC2)C1)[C@H]1CCC[NH2+]1 ZINC000662760961 409719063 /nfs/dbraw/zinc/71/90/63/409719063.db2.gz JMDBBWNCSHDNID-NWDGAFQWSA-N 1 1 310.398 -1.573 20 0 DAADMO O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1(n2cnnn2)CC1 ZINC000662765642 409719606 /nfs/dbraw/zinc/71/96/06/409719606.db2.gz CISLAEMPXKDYGK-NSHDSACASA-N 1 1 319.369 -1.415 20 0 DAADMO Cn1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000371402163 409797506 /nfs/dbraw/zinc/79/75/06/409797506.db2.gz VEVKEGBNCBLMSQ-VXGBXAGGSA-N 1 1 321.381 -0.584 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC000569014495 409800454 /nfs/dbraw/zinc/80/04/54/409800454.db2.gz UIPBQHANYKNGLG-SNVBAGLBSA-N 1 1 323.401 -0.904 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(N)noc1C ZINC000592388381 409805136 /nfs/dbraw/zinc/80/51/36/409805136.db2.gz JASRHQGWQGBPMG-QMMMGPOBSA-N 1 1 318.355 -0.909 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1C(F)(F)F ZINC001193684173 782014081 /nfs/dbraw/zinc/01/40/81/782014081.db2.gz ZOXHBNZUMNHXKI-BWVDBABLSA-N 1 1 319.291 -1.428 20 0 DAADMO CC(=O)Nc1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001193727122 782013529 /nfs/dbraw/zinc/01/35/29/782013529.db2.gz UINHQBPXBFWAMW-WOPDTQHZSA-N 1 1 305.342 -1.827 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193786049 782014470 /nfs/dbraw/zinc/01/44/70/782014470.db2.gz DAQAZUXXGPYAMT-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821483 782017254 /nfs/dbraw/zinc/01/72/54/782017254.db2.gz KGUCEROAENQWBY-CHWSQXEVSA-N 1 1 322.413 -1.039 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O)C1CCC1 ZINC001193820953 782017394 /nfs/dbraw/zinc/01/73/94/782017394.db2.gz AQOLGTRAGJQVCE-FRRDWIJNSA-N 1 1 310.398 -1.480 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001193884072 782017584 /nfs/dbraw/zinc/01/75/84/782017584.db2.gz XSPVVDCDRXTUJY-LOWDOPEQSA-N 1 1 302.371 -1.012 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001193786047 782016674 /nfs/dbraw/zinc/01/66/74/782016674.db2.gz DAQAZUXXGPYAMT-GHMZBOCLSA-N 1 1 307.416 -1.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193887263 782018267 /nfs/dbraw/zinc/01/82/67/782018267.db2.gz GVCSRJBEOJEAQO-SECBINFHSA-N 1 1 309.330 -1.994 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193887263 782018276 /nfs/dbraw/zinc/01/82/76/782018276.db2.gz GVCSRJBEOJEAQO-SECBINFHSA-N 1 1 309.330 -1.994 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001193925485 782018411 /nfs/dbraw/zinc/01/84/11/782018411.db2.gz FKSRSSNPURQOKN-GHMZBOCLSA-N 1 1 309.370 -1.444 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001193925485 782018421 /nfs/dbraw/zinc/01/84/21/782018421.db2.gz FKSRSSNPURQOKN-GHMZBOCLSA-N 1 1 309.370 -1.444 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193865836 782018540 /nfs/dbraw/zinc/01/85/40/782018540.db2.gz RVQHCMIGDLKRPW-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001193929452 782019104 /nfs/dbraw/zinc/01/91/04/782019104.db2.gz GWHQTEZHBHEEET-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O)C1CCC1 ZINC001193820977 782018048 /nfs/dbraw/zinc/01/80/48/782018048.db2.gz BBEUWNFDRCXTKX-ZIAGYGMSSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821942 782019661 /nfs/dbraw/zinc/01/96/61/782019661.db2.gz UCOGAIJTRUJWFX-MGPQQGTHSA-N 1 1 315.414 -1.361 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821942 782019671 /nfs/dbraw/zinc/01/96/71/782019671.db2.gz UCOGAIJTRUJWFX-MGPQQGTHSA-N 1 1 315.414 -1.361 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193866047 782019682 /nfs/dbraw/zinc/01/96/82/782019682.db2.gz UMNVWEFKLZCQNL-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193866047 782019695 /nfs/dbraw/zinc/01/96/95/782019695.db2.gz UMNVWEFKLZCQNL-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941457 782020432 /nfs/dbraw/zinc/02/04/32/782020432.db2.gz SKHNQERGOXZVAF-IVZWLZJFSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)C1 ZINC000351933304 262557252 /nfs/dbraw/zinc/55/72/52/262557252.db2.gz CGXKPLDKCDGECY-DGCLKSJQSA-N 1 1 301.387 -1.211 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001193935171 782020836 /nfs/dbraw/zinc/02/08/36/782020836.db2.gz WMHUCMZNJMJBCK-IJLUTSLNSA-N 1 1 312.370 -1.489 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193940701 782020933 /nfs/dbraw/zinc/02/09/33/782020933.db2.gz BYEXVIQXJAHVDH-NXEZZACHSA-N 1 1 303.359 -2.332 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193940701 782020940 /nfs/dbraw/zinc/02/09/40/782020940.db2.gz BYEXVIQXJAHVDH-NXEZZACHSA-N 1 1 303.359 -2.332 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000358478628 262583108 /nfs/dbraw/zinc/58/31/08/262583108.db2.gz LWJHAKFOUCRLDI-UHFFFAOYSA-N 1 1 322.431 -1.101 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922773 782022146 /nfs/dbraw/zinc/02/21/46/782022146.db2.gz XYDNFPOVJKGEGJ-GHMZBOCLSA-N 1 1 302.375 -1.415 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193921853 782021819 /nfs/dbraw/zinc/02/18/19/782021819.db2.gz OJXXSHZPRFAKCK-MRVPVSSYSA-N 1 1 314.346 -2.228 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193921853 782021824 /nfs/dbraw/zinc/02/18/24/782021824.db2.gz OJXXSHZPRFAKCK-MRVPVSSYSA-N 1 1 314.346 -2.228 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674885878 545869108 /nfs/dbraw/zinc/86/91/08/545869108.db2.gz FZWVOFFRMDMUQX-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000674885878 545869110 /nfs/dbraw/zinc/86/91/10/545869110.db2.gz FZWVOFFRMDMUQX-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO COC[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674764805 545869367 /nfs/dbraw/zinc/86/93/67/545869367.db2.gz LIDQSTAKWXLTHC-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000675326050 545870522 /nfs/dbraw/zinc/87/05/22/545870522.db2.gz VJAAFHMHRQKNPR-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](CC(N)=O)C2)cn1 ZINC000676897934 545874157 /nfs/dbraw/zinc/87/41/57/545874157.db2.gz CXGALCIDVLMGMC-SNVBAGLBSA-N 1 1 315.399 -1.104 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1CCO ZINC000681750378 545886613 /nfs/dbraw/zinc/88/66/13/545886613.db2.gz YSGLLHBCVJSTPN-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1CCO ZINC000681750378 545886619 /nfs/dbraw/zinc/88/66/19/545886619.db2.gz YSGLLHBCVJSTPN-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682009845 545885611 /nfs/dbraw/zinc/88/56/11/545885611.db2.gz DNOZIXWUIJHAOZ-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682009845 545885614 /nfs/dbraw/zinc/88/56/14/545885614.db2.gz DNOZIXWUIJHAOZ-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO COCCN1CCCN(C(=O)CN2CC[NH+](C)CC2)CC1=O ZINC000682588879 545887555 /nfs/dbraw/zinc/88/75/55/545887555.db2.gz GUYVOWBVDNMUFQ-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CC1(C)CN(C(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC000682010659 545886647 /nfs/dbraw/zinc/88/66/47/545886647.db2.gz OHHIUFRAOWTUTK-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000682203055 545886693 /nfs/dbraw/zinc/88/66/93/545886693.db2.gz QBAQGVKZIQVPAB-UWVGGRQHSA-N 1 1 308.404 -1.446 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000682203055 545886699 /nfs/dbraw/zinc/88/66/99/545886699.db2.gz QBAQGVKZIQVPAB-UWVGGRQHSA-N 1 1 308.404 -1.446 20 0 DAADMO Cn1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001194011086 782023713 /nfs/dbraw/zinc/02/37/13/782023713.db2.gz ORIBARUHFJEAKW-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO Cn1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001194011086 782023719 /nfs/dbraw/zinc/02/37/19/782023719.db2.gz ORIBARUHFJEAKW-SECBINFHSA-N 1 1 308.342 -1.239 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 ZINC001193986785 782023773 /nfs/dbraw/zinc/02/37/73/782023773.db2.gz HGLZBFFOXVJBDR-VXGBXAGGSA-N 1 1 312.370 -1.256 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001194015197 782024727 /nfs/dbraw/zinc/02/47/27/782024727.db2.gz GBZXUFYUPJCKOF-FBIMIBRVSA-N 1 1 312.326 -2.036 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060416 782026655 /nfs/dbraw/zinc/02/66/55/782026655.db2.gz LUSOYZIHFIQQFY-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060416 782026662 /nfs/dbraw/zinc/02/66/62/782026662.db2.gz LUSOYZIHFIQQFY-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001194118829 782026701 /nfs/dbraw/zinc/02/67/01/782026701.db2.gz JNFYYKVBEWIYOE-MGPQQGTHSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001194075211 782027378 /nfs/dbraw/zinc/02/73/78/782027378.db2.gz KLCKOUYABIBDDZ-VXGBXAGGSA-N 1 1 311.338 -1.543 20 0 DAADMO O=C(COCc1cc[nH]c(=O)c1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194075211 782027384 /nfs/dbraw/zinc/02/73/84/782027384.db2.gz KLCKOUYABIBDDZ-VXGBXAGGSA-N 1 1 311.338 -1.543 20 0 DAADMO CN(C=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001194025614 782027553 /nfs/dbraw/zinc/02/75/53/782027553.db2.gz OEVNBXAGBOXGOB-AGIUHOORSA-N 1 1 304.354 -1.588 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001194089605 782028494 /nfs/dbraw/zinc/02/84/94/782028494.db2.gz LKCGMZFIWTUOGQ-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001194090189 782028544 /nfs/dbraw/zinc/02/85/44/782028544.db2.gz WPYSIDMTWSFBKW-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089363 782029071 /nfs/dbraw/zinc/02/90/71/782029071.db2.gz FQZNYQUWHGXQCF-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089363 782029077 /nfs/dbraw/zinc/02/90/77/782029077.db2.gz FQZNYQUWHGXQCF-SECBINFHSA-N 1 1 306.388 -2.186 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194090358 782029220 /nfs/dbraw/zinc/02/92/20/782029220.db2.gz ZZNYDUGWYYOSDH-IUCAKERBSA-N 1 1 306.388 -2.058 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001194201090 782030739 /nfs/dbraw/zinc/03/07/39/782030739.db2.gz RHLBIQYBUKSJPE-NSHDSACASA-N 1 1 319.365 -1.171 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC001194201090 782030743 /nfs/dbraw/zinc/03/07/43/782030743.db2.gz RHLBIQYBUKSJPE-NSHDSACASA-N 1 1 319.365 -1.171 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001194203200 782030781 /nfs/dbraw/zinc/03/07/81/782030781.db2.gz XZJAFQSCCKAHRS-VXGBXAGGSA-N 1 1 314.386 -1.944 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001194184901 782030936 /nfs/dbraw/zinc/03/09/36/782030936.db2.gz OJPJSBOFBLASMH-IJLUTSLNSA-N 1 1 320.411 -1.381 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001194184901 782030945 /nfs/dbraw/zinc/03/09/45/782030945.db2.gz OJPJSBOFBLASMH-IJLUTSLNSA-N 1 1 320.411 -1.381 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001194254572 782032149 /nfs/dbraw/zinc/03/21/49/782032149.db2.gz BRFHLCXTWJTMTG-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO CCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001194254572 782032157 /nfs/dbraw/zinc/03/21/57/782032157.db2.gz BRFHLCXTWJTMTG-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255540 782032305 /nfs/dbraw/zinc/03/23/05/782032305.db2.gz ICXSTGUSYXYQAZ-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001194244215 782032594 /nfs/dbraw/zinc/03/25/94/782032594.db2.gz LFHBAYKODRRDAL-GMTAPVOTSA-N 1 1 300.403 -1.248 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255817 782032998 /nfs/dbraw/zinc/03/29/98/782032998.db2.gz MEZKTYNYTIBMEO-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001194255817 782033006 /nfs/dbraw/zinc/03/30/06/782033006.db2.gz MEZKTYNYTIBMEO-SECBINFHSA-N 1 1 323.357 -2.344 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001194365648 782035164 /nfs/dbraw/zinc/03/51/64/782035164.db2.gz PVOICWUQZSIALP-ZWKOPEQDSA-N 1 1 324.381 -1.319 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001194290424 782035310 /nfs/dbraw/zinc/03/53/10/782035310.db2.gz WZZSCBQTFBDGRS-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC)C1 ZINC001194321309 782036025 /nfs/dbraw/zinc/03/60/25/782036025.db2.gz RETPLEIZFDSBMZ-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329838 782036695 /nfs/dbraw/zinc/03/66/95/782036695.db2.gz WVMATIUVMCWDQC-IVZWLZJFSA-N 1 1 323.340 -1.310 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001194089526 782029279 /nfs/dbraw/zinc/02/92/79/782029279.db2.gz JMRXCUQSPAGGJA-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001194089604 782029325 /nfs/dbraw/zinc/02/93/25/782029325.db2.gz LKCGMZFIWTUOGQ-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001194090357 782029419 /nfs/dbraw/zinc/02/94/19/782029419.db2.gz ZZNYDUGWYYOSDH-DTWKUNHWSA-N 1 1 306.388 -2.058 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001194090140 782029481 /nfs/dbraw/zinc/02/94/81/782029481.db2.gz UXNYHRMMFQPLDO-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001194090140 782029486 /nfs/dbraw/zinc/02/94/86/782029486.db2.gz UXNYHRMMFQPLDO-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237819 782029801 /nfs/dbraw/zinc/02/98/01/782029801.db2.gz DQNHSTCMFHGONN-SNVBAGLBSA-N 1 1 323.357 -2.588 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194237819 782029809 /nfs/dbraw/zinc/02/98/09/782029809.db2.gz DQNHSTCMFHGONN-SNVBAGLBSA-N 1 1 323.357 -2.588 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000347889811 262546989 /nfs/dbraw/zinc/54/69/89/262546989.db2.gz SCYGZADFHAFRFE-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)C1CC1 ZINC000351341642 262554326 /nfs/dbraw/zinc/55/43/26/262554326.db2.gz QDMROCUNYZCFIC-CQSZACIVSA-N 1 1 324.425 -1.136 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)C1 ZINC000351933304 262557251 /nfs/dbraw/zinc/55/72/51/262557251.db2.gz CGXKPLDKCDGECY-DGCLKSJQSA-N 1 1 301.387 -1.211 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000358052559 262581000 /nfs/dbraw/zinc/58/10/00/262581000.db2.gz FTQIVTWPVINWKW-LSDHHAIUSA-N 1 1 324.381 -1.110 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000358568954 262584621 /nfs/dbraw/zinc/58/46/21/262584621.db2.gz HMRPIJLUTSZSQE-NEPJUHHUSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(=O)N(C)C ZINC000361413789 262593808 /nfs/dbraw/zinc/59/38/08/262593808.db2.gz FQLAFKPHWIQOBF-BXUZGUMPSA-N 1 1 316.402 -1.155 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000407998868 262615898 /nfs/dbraw/zinc/61/58/98/262615898.db2.gz SPWDGDQXYYDGQE-QWRGUYRKSA-N 1 1 304.416 -1.017 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408025763 262616709 /nfs/dbraw/zinc/61/67/09/262616709.db2.gz BEPVZJGTWLXEGR-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO CN1C[C@@H](C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)OC1=O ZINC000496420619 262653067 /nfs/dbraw/zinc/65/30/67/262653067.db2.gz UGRKOASAOIAOJT-UWVGGRQHSA-N 1 1 306.388 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000353799525 263218172 /nfs/dbraw/zinc/21/81/72/263218172.db2.gz DOPUFMKKKGBXKY-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000353799525 263218173 /nfs/dbraw/zinc/21/81/73/263218173.db2.gz DOPUFMKKKGBXKY-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)c2nn[nH]n2)CC1=O ZINC000354804165 263218181 /nfs/dbraw/zinc/21/81/81/263218181.db2.gz PGHQVJHXZBVXBM-SECBINFHSA-N 1 1 309.374 -1.039 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000362784209 263218398 /nfs/dbraw/zinc/21/83/98/263218398.db2.gz AOUDGWOASMGLIZ-QWHCGFSZSA-N 1 1 312.414 -1.251 20 0 DAADMO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000360186609 263219275 /nfs/dbraw/zinc/21/92/75/263219275.db2.gz AYONZMIAAHLLAE-BDAKNGLRSA-N 1 1 300.384 -1.498 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000368570528 263219740 /nfs/dbraw/zinc/21/97/40/263219740.db2.gz VSFQDXLYFMAOCH-STQMWFEESA-N 1 1 321.443 -1.307 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)NCC[N@H+]1CCCOCC1 ZINC000487378911 263220741 /nfs/dbraw/zinc/22/07/41/263220741.db2.gz LMUGLCWVQUZAJC-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000346579980 263223352 /nfs/dbraw/zinc/22/33/52/263223352.db2.gz WHZRHUAUBLIGLQ-GMTAPVOTSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000359584101 263223852 /nfs/dbraw/zinc/22/38/52/263223852.db2.gz QUAJMFDDDCWXFZ-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359584101 263223854 /nfs/dbraw/zinc/22/38/54/263223854.db2.gz QUAJMFDDDCWXFZ-GWCFXTLKSA-N 1 1 303.359 -1.070 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330960306 263226687 /nfs/dbraw/zinc/22/66/87/263226687.db2.gz OOHVKGGUSZZXKE-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330960306 263226688 /nfs/dbraw/zinc/22/66/88/263226688.db2.gz OOHVKGGUSZZXKE-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000262027724 263226747 /nfs/dbraw/zinc/22/67/47/263226747.db2.gz XFWGUXNRSYIOOR-MXWKQRLJSA-N 1 1 305.400 -1.097 20 0 DAADMO CCNC(=O)CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000078516871 263227976 /nfs/dbraw/zinc/22/79/76/263227976.db2.gz FSTNRJAXUBRJHS-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000358077982 263230156 /nfs/dbraw/zinc/23/01/56/263230156.db2.gz MXFAFTDKSZWLJV-OAHLLOKOSA-N 1 1 317.349 -1.026 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000263260529 263231287 /nfs/dbraw/zinc/23/12/87/263231287.db2.gz SIPMLFTVYXEXHV-SCRDCRAPSA-N 1 1 314.430 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000332571177 263231924 /nfs/dbraw/zinc/23/19/24/263231924.db2.gz BBQFVHHSZHEIPV-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CNCCO1 ZINC000261866384 263231978 /nfs/dbraw/zinc/23/19/78/263231978.db2.gz NRPUDDXJVUCJAG-NXEZZACHSA-N 1 1 310.320 -1.073 20 0 DAADMO O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362830746 263232377 /nfs/dbraw/zinc/23/23/77/263232377.db2.gz MJBGNJHJANCQBP-NSHDSACASA-N 1 1 309.370 -1.566 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366852731 263233017 /nfs/dbraw/zinc/23/30/17/263233017.db2.gz INVBOLZOPQHWLV-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366852731 263233018 /nfs/dbraw/zinc/23/30/18/263233018.db2.gz INVBOLZOPQHWLV-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NC[C@@H]1CN(C)CCN1C ZINC000357777580 263233081 /nfs/dbraw/zinc/23/30/81/263233081.db2.gz FLQZZFKJOBUGLF-LLVKDONJSA-N 1 1 321.447 -1.577 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359584102 263234780 /nfs/dbraw/zinc/23/47/80/263234780.db2.gz QUAJMFDDDCWXFZ-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359584102 263234781 /nfs/dbraw/zinc/23/47/81/263234781.db2.gz QUAJMFDDDCWXFZ-GXFFZTMASA-N 1 1 303.359 -1.070 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](CCO)CCCO)C1 ZINC000348138407 263234794 /nfs/dbraw/zinc/23/47/94/263234794.db2.gz ZZJLKISHOJEPRH-ZDUSSCGKSA-N 1 1 301.387 -1.210 20 0 DAADMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](CCO)CCCO)C1 ZINC000348138407 263234795 /nfs/dbraw/zinc/23/47/95/263234795.db2.gz ZZJLKISHOJEPRH-ZDUSSCGKSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000408320759 263235721 /nfs/dbraw/zinc/23/57/21/263235721.db2.gz OWVRLAQSXVFVEN-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358188214 263235881 /nfs/dbraw/zinc/23/58/81/263235881.db2.gz TXRRLVDHDNHCPH-ZJUUUORDSA-N 1 1 321.399 -1.335 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358188214 263235882 /nfs/dbraw/zinc/23/58/82/263235882.db2.gz TXRRLVDHDNHCPH-ZJUUUORDSA-N 1 1 321.399 -1.335 20 0 DAADMO C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000332618497 263237342 /nfs/dbraw/zinc/23/73/42/263237342.db2.gz RKMKXRVAQDJFMS-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000367045397 263238166 /nfs/dbraw/zinc/23/81/66/263238166.db2.gz LETGIVXVWIBFOS-KGLIPLIRSA-N 1 1 310.398 -1.260 20 0 DAADMO CCN(C)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341476456 263238705 /nfs/dbraw/zinc/23/87/05/263238705.db2.gz CKVUIHZLOLBIDW-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)S(N)(=O)=O)C1 ZINC000443518456 263239370 /nfs/dbraw/zinc/23/93/70/263239370.db2.gz GIQBRYDKJMOYFF-UWVGGRQHSA-N 1 1 308.404 -1.317 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CO)C[NH+]1CCOCC1 ZINC000357997980 263239958 /nfs/dbraw/zinc/23/99/58/263239958.db2.gz WQGOKPUOQNCBJA-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347965335 263240010 /nfs/dbraw/zinc/24/00/10/263240010.db2.gz LEUATCFQCDIAKQ-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369025874 263241090 /nfs/dbraw/zinc/24/10/90/263241090.db2.gz FXRUNZAMQLWPRZ-MNOVXSKESA-N 1 1 320.415 -1.302 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000422289668 263242167 /nfs/dbraw/zinc/24/21/67/263242167.db2.gz ZMYPHUPNVHRFDH-RYUDHWBXSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353503030 263242447 /nfs/dbraw/zinc/24/24/47/263242447.db2.gz SVGGYKSXOWXKQZ-GHMZBOCLSA-N 1 1 313.402 -1.752 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000529333613 263242916 /nfs/dbraw/zinc/24/29/16/263242916.db2.gz FPEDVQHPFZIZIJ-QMMMGPOBSA-N 1 1 309.317 -1.080 20 0 DAADMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC000328906642 263242990 /nfs/dbraw/zinc/24/29/90/263242990.db2.gz BOXFOHAKLAWKAY-RYUDHWBXSA-N 1 1 305.400 -1.032 20 0 DAADMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@H]2C1 ZINC000328906642 263242992 /nfs/dbraw/zinc/24/29/92/263242992.db2.gz BOXFOHAKLAWKAY-RYUDHWBXSA-N 1 1 305.400 -1.032 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](COC)C1 ZINC000358558843 263243221 /nfs/dbraw/zinc/24/32/21/263243221.db2.gz JLNJJOJHGIKFKC-GFCCVEGCSA-N 1 1 317.386 -1.445 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000347791802 263244221 /nfs/dbraw/zinc/24/42/21/263244221.db2.gz IXODQTYCIPOASP-UHFFFAOYSA-N 1 1 300.315 -2.163 20 0 DAADMO C[NH+]1CCN(c2ncc(CN3CCO[C@@H](C(N)=O)C3)cn2)CC1 ZINC000352926746 263244889 /nfs/dbraw/zinc/24/48/89/263244889.db2.gz WZZYFHYPCYVJRU-CYBMUJFWSA-N 1 1 320.397 -1.086 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000263260723 263244986 /nfs/dbraw/zinc/24/49/86/263244986.db2.gz SOHGTFTXPWSBJH-JSGCOSHPSA-N 1 1 313.446 -1.162 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358045407 263245058 /nfs/dbraw/zinc/24/50/58/263245058.db2.gz JODMFZWDSBGQPB-ZYHUDNBSSA-N 1 1 307.416 -1.257 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000344635593 263247683 /nfs/dbraw/zinc/24/76/83/263247683.db2.gz RLQIEFKQFUDIIR-GJZGRUSLSA-N 1 1 309.366 -1.218 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1CO ZINC000362069959 263248339 /nfs/dbraw/zinc/24/83/39/263248339.db2.gz VOYLJMZSFIPLSD-RKDXNWHRSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H]1CO ZINC000362069959 263248340 /nfs/dbraw/zinc/24/83/40/263248340.db2.gz VOYLJMZSFIPLSD-RKDXNWHRSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000351666391 263249451 /nfs/dbraw/zinc/24/94/51/263249451.db2.gz SDIIQDHIPXQYAC-SECBINFHSA-N 1 1 323.353 -1.058 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)Cn2cncn2)C1 ZINC000357479731 263250182 /nfs/dbraw/zinc/25/01/82/263250182.db2.gz SVRIPXIIENROTK-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000333561791 263251943 /nfs/dbraw/zinc/25/19/43/263251943.db2.gz RRVRIKDPJZDVPV-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1 ZINC000328915748 263251957 /nfs/dbraw/zinc/25/19/57/263251957.db2.gz ABUUYTRCBYXNDW-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1 ZINC000328915748 263251959 /nfs/dbraw/zinc/25/19/59/263251959.db2.gz ABUUYTRCBYXNDW-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000330801009 263253429 /nfs/dbraw/zinc/25/34/29/263253429.db2.gz DTXQHZHCPRHJOG-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CS(=O)(=O)NCC[N@@H+](CCCC(=O)NC(N)=O)C1CC1 ZINC000361373863 263254827 /nfs/dbraw/zinc/25/48/27/263254827.db2.gz DBJJRXPGQZEJOF-UHFFFAOYSA-N 1 1 306.388 -1.025 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000499696700 263256154 /nfs/dbraw/zinc/25/61/54/263256154.db2.gz PVWBJTFQJPTLPT-IJLUTSLNSA-N 1 1 314.386 -1.273 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CN2CCOCC2)C1 ZINC000346154615 263257237 /nfs/dbraw/zinc/25/72/37/263257237.db2.gz REBXSPHEIHOMRH-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000358581316 263257734 /nfs/dbraw/zinc/25/77/34/263257734.db2.gz XDCFHEXATDLPDZ-NRFANRHFSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([S@](C)=O)CC1 ZINC000358581316 263257738 /nfs/dbraw/zinc/25/77/38/263257738.db2.gz XDCFHEXATDLPDZ-NRFANRHFSA-N 1 1 319.427 -1.292 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000343891701 263258061 /nfs/dbraw/zinc/25/80/61/263258061.db2.gz NYFGCNKLDONMMC-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093598 263258091 /nfs/dbraw/zinc/25/80/91/263258091.db2.gz RWEFEWCFVWIGDO-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000412093598 263258094 /nfs/dbraw/zinc/25/80/94/263258094.db2.gz RWEFEWCFVWIGDO-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000360169662 263258280 /nfs/dbraw/zinc/25/82/80/263258280.db2.gz GLBVOGQIUSSWAD-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000371007327 263258642 /nfs/dbraw/zinc/25/86/42/263258642.db2.gz UQJXPMJONAOLFL-NSHDSACASA-N 1 1 322.431 -1.102 20 0 DAADMO COCCN1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1=O ZINC000351934302 263259306 /nfs/dbraw/zinc/25/93/06/263259306.db2.gz HHUPTCBBGRAVGZ-CYBMUJFWSA-N 1 1 301.387 -1.530 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CSCC1=O ZINC000340970660 263259356 /nfs/dbraw/zinc/25/93/56/263259356.db2.gz UOIQGHFPVPWKDR-SNVBAGLBSA-N 1 1 314.411 -1.025 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000514989343 263259903 /nfs/dbraw/zinc/25/99/03/263259903.db2.gz CYEDEPOLPFDATL-NWDGAFQWSA-N 1 1 309.432 -1.451 20 0 DAADMO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734553 263260148 /nfs/dbraw/zinc/26/01/48/263260148.db2.gz QVUUEXUGHCPWGN-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000488734553 263260150 /nfs/dbraw/zinc/26/01/50/263260150.db2.gz QVUUEXUGHCPWGN-BDAKNGLRSA-N 1 1 310.354 -1.448 20 0 DAADMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359429107 263260463 /nfs/dbraw/zinc/26/04/63/263260463.db2.gz NLURXVVXRPJKMJ-SNVBAGLBSA-N 1 1 322.431 -1.374 20 0 DAADMO CCCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000341455154 263260706 /nfs/dbraw/zinc/26/07/06/263260706.db2.gz DLTHZIASUXFAAL-NWDGAFQWSA-N 1 1 319.427 -1.400 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000514830227 263260976 /nfs/dbraw/zinc/26/09/76/263260976.db2.gz XMDBQFACUQLDFM-DCAQKATOSA-N 1 1 303.359 -1.478 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000514830227 263260978 /nfs/dbraw/zinc/26/09/78/263260978.db2.gz XMDBQFACUQLDFM-DCAQKATOSA-N 1 1 303.359 -1.478 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000359290938 263261538 /nfs/dbraw/zinc/26/15/38/263261538.db2.gz PQFHXWJAWXFYEH-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO O=C1NC[C@@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000329216687 263261608 /nfs/dbraw/zinc/26/16/08/263261608.db2.gz OXUSPFLZDRTLQS-UPJWGTAASA-N 1 1 308.382 -1.508 20 0 DAADMO O=C1NC[C@@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000329216687 263261610 /nfs/dbraw/zinc/26/16/10/263261610.db2.gz OXUSPFLZDRTLQS-UPJWGTAASA-N 1 1 308.382 -1.508 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000443516914 263262049 /nfs/dbraw/zinc/26/20/49/263262049.db2.gz COTFTKXAUCHZHI-SNVBAGLBSA-N 1 1 310.420 -1.069 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC1(CO)CC1 ZINC000358555256 263262367 /nfs/dbraw/zinc/26/23/67/263262367.db2.gz FBQUGVQFVKSXDA-UHFFFAOYSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000351553051 263262778 /nfs/dbraw/zinc/26/27/78/263262778.db2.gz CWVDLUMAPDFNJM-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000351553051 263262780 /nfs/dbraw/zinc/26/27/80/263262780.db2.gz CWVDLUMAPDFNJM-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000355022248 263262808 /nfs/dbraw/zinc/26/28/08/263262808.db2.gz VTWNQPKFLKNKCZ-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000344716745 263263086 /nfs/dbraw/zinc/26/30/86/263263086.db2.gz CXEILOCDXJWETR-UHFFFAOYSA-N 1 1 312.414 -1.323 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000349662265 263263636 /nfs/dbraw/zinc/26/36/36/263263636.db2.gz MWYOADMESOBJMO-NSHDSACASA-N 1 1 322.431 -1.054 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000340929170 263263720 /nfs/dbraw/zinc/26/37/20/263263720.db2.gz MRKBOLPGHQKTNN-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000340929170 263263722 /nfs/dbraw/zinc/26/37/22/263263722.db2.gz MRKBOLPGHQKTNN-NSHDSACASA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCn1cccn1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347955418 263265326 /nfs/dbraw/zinc/26/53/26/263265326.db2.gz AVLRECPAXJBJOO-CYBMUJFWSA-N 1 1 322.413 -1.297 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2COC2)CC1 ZINC000330237963 263267382 /nfs/dbraw/zinc/26/73/82/263267382.db2.gz ZSUPVURFOJCMSA-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000347964027 263269026 /nfs/dbraw/zinc/26/90/26/263269026.db2.gz KNFULNXEZYUINI-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000331193284 263269310 /nfs/dbraw/zinc/26/93/10/263269310.db2.gz MFELHBJUVMQBFL-LBPRGKRZSA-N 1 1 315.414 -1.012 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](O)[C@@H](O)C2)C1 ZINC000331302660 263269395 /nfs/dbraw/zinc/26/93/95/263269395.db2.gz SHSQCMGVBXCJBX-MCIONIFRSA-N 1 1 315.414 -1.503 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C1CC1 ZINC000359290937 263269833 /nfs/dbraw/zinc/26/98/33/263269833.db2.gz PQFHXWJAWXFYEH-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1cc(C(=O)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000342846466 263270720 /nfs/dbraw/zinc/27/07/20/263270720.db2.gz DMIRJLWKKBYJMB-UHFFFAOYSA-N 1 1 307.354 -1.165 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CCC[N@H+]1C ZINC000347753084 263271506 /nfs/dbraw/zinc/27/15/06/263271506.db2.gz CLPJVUWGFANZGI-MXWKQRLJSA-N 1 1 312.370 -1.702 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000357977483 263271625 /nfs/dbraw/zinc/27/16/25/263271625.db2.gz CLJFMMQKMHLXRW-CMPLNLGQSA-N 1 1 310.354 -1.084 20 0 DAADMO Cn1c2ncn(CCN3CC[C@H](C[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430922142 263272592 /nfs/dbraw/zinc/27/25/92/263272592.db2.gz XPOHQRSAFVEIFP-SNVBAGLBSA-N 1 1 306.370 -1.286 20 0 DAADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355127542 263272890 /nfs/dbraw/zinc/27/28/90/263272890.db2.gz GMOATJQEYQJONN-GRYCIOLGSA-N 1 1 313.398 -1.071 20 0 DAADMO CN(CCO)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353091412 263273362 /nfs/dbraw/zinc/27/33/62/263273362.db2.gz WKVOTEHILDOKIX-UHFFFAOYSA-N 1 1 300.403 -1.421 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CCO1 ZINC000357986042 263273627 /nfs/dbraw/zinc/27/36/27/263273627.db2.gz XTKGXIBEXABHIZ-NSHDSACASA-N 1 1 323.353 -1.719 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000333168092 263273857 /nfs/dbraw/zinc/27/38/57/263273857.db2.gz PEHFVUKKUATMIU-AWEZNQCLSA-N 1 1 309.370 -1.566 20 0 DAADMO CCn1c(N)c(C(=O)CN2CC[NH+](CC)CC2)c(=O)[nH]c1=O ZINC000127899200 263274919 /nfs/dbraw/zinc/27/49/19/263274919.db2.gz YCDLIXVCJSEIAY-UHFFFAOYSA-N 1 1 309.370 -1.041 20 0 DAADMO CN1CCN(CC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1=O ZINC000444260988 263276303 /nfs/dbraw/zinc/27/63/03/263276303.db2.gz PXWYQDZQWKHXFP-UHFFFAOYSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000444383057 263276478 /nfs/dbraw/zinc/27/64/78/263276478.db2.gz QGVRQHZPGUGPPJ-NTZNESFSSA-N 1 1 313.398 -1.213 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCCN1C(=O)CNC1=O ZINC000342058770 263276496 /nfs/dbraw/zinc/27/64/96/263276496.db2.gz RXXKYHQAICVNQC-UHFFFAOYSA-N 1 1 315.374 -1.194 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372154784 263276534 /nfs/dbraw/zinc/27/65/34/263276534.db2.gz BLJOCKXLFCKNFN-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372154784 263276535 /nfs/dbraw/zinc/27/65/35/263276535.db2.gz BLJOCKXLFCKNFN-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000347954941 263276647 /nfs/dbraw/zinc/27/66/47/263276647.db2.gz CNQRTPMQXASERP-NXEZZACHSA-N 1 1 302.327 -1.384 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000347954941 263276650 /nfs/dbraw/zinc/27/66/50/263276650.db2.gz CNQRTPMQXASERP-NXEZZACHSA-N 1 1 302.327 -1.384 20 0 DAADMO COC[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332045963 263277291 /nfs/dbraw/zinc/27/72/91/263277291.db2.gz YXPBLGLYUGNVFZ-SNVBAGLBSA-N 1 1 320.415 -1.350 20 0 DAADMO COCC[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000358883407 263277685 /nfs/dbraw/zinc/27/76/85/263277685.db2.gz FQNDNBCQYIMFNJ-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000371536136 263277701 /nfs/dbraw/zinc/27/77/01/263277701.db2.gz TUQSDJGWAHUDOF-VHSXEESVSA-N 1 1 308.338 -1.040 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000330625871 263278335 /nfs/dbraw/zinc/27/83/35/263278335.db2.gz IEHDFPAYWBSGHH-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000330625871 263278337 /nfs/dbraw/zinc/27/83/37/263278337.db2.gz IEHDFPAYWBSGHH-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO COCC[C@H](CO)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000344259801 263278645 /nfs/dbraw/zinc/27/86/45/263278645.db2.gz KOCYKOWTGZAFQD-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000347964032 263278858 /nfs/dbraw/zinc/27/88/58/263278858.db2.gz KNFULNXEZYUINI-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCN(C(=O)C2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000514870965 263281411 /nfs/dbraw/zinc/28/14/11/263281411.db2.gz OPJSBIPAXQXGIJ-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419356745 263282499 /nfs/dbraw/zinc/28/24/99/263282499.db2.gz NHORMDRXCHYYCX-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(C)(C)C1 ZINC000419356745 263282503 /nfs/dbraw/zinc/28/25/03/263282503.db2.gz NHORMDRXCHYYCX-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](N)COC)CC1 ZINC000262400819 263283205 /nfs/dbraw/zinc/28/32/05/263283205.db2.gz ZRJIJVGUJGYNIN-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)C[C@H](C)[N@H+]1CCO ZINC000459809628 263283265 /nfs/dbraw/zinc/28/32/65/263283265.db2.gz GBIIFTOEZCITSQ-XQQFMLRXSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)C[C@H](C)[N@@H+]1CCO ZINC000459809628 263283268 /nfs/dbraw/zinc/28/32/68/263283268.db2.gz GBIIFTOEZCITSQ-XQQFMLRXSA-N 1 1 313.398 -1.117 20 0 DAADMO CN1C[C@H](C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)OC1=O ZINC000496420618 263283634 /nfs/dbraw/zinc/28/36/34/263283634.db2.gz UGRKOASAOIAOJT-NXEZZACHSA-N 1 1 306.388 -1.058 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495596720 263283853 /nfs/dbraw/zinc/28/38/53/263283853.db2.gz SEKMLOPTUNUTCO-SNVBAGLBSA-N 1 1 306.388 -1.045 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000373153371 263284495 /nfs/dbraw/zinc/28/44/95/263284495.db2.gz PDNDYYMLMBSJAS-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000373153371 263284496 /nfs/dbraw/zinc/28/44/96/263284496.db2.gz PDNDYYMLMBSJAS-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000244303034 263285198 /nfs/dbraw/zinc/28/51/98/263285198.db2.gz WYWXKUQXJPZXLS-CQSZACIVSA-N 1 1 324.425 -1.059 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359406145 263286155 /nfs/dbraw/zinc/28/61/55/263286155.db2.gz ASXVDLMMOWIHTG-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000347128071 263286519 /nfs/dbraw/zinc/28/65/19/263286519.db2.gz KDLKYBWVJRNWBD-QWRGUYRKSA-N 1 1 302.375 -1.103 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000514824367 263287310 /nfs/dbraw/zinc/28/73/10/263287310.db2.gz DYYOMTOAVIXOSS-AWEZNQCLSA-N 1 1 323.441 -1.144 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000331395698 263288361 /nfs/dbraw/zinc/28/83/61/263288361.db2.gz NRPXGMARNWHYAL-RTXFEEFZSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000444704730 263288413 /nfs/dbraw/zinc/28/84/13/263288413.db2.gz UQTWSZKBCBOBNO-VXGBXAGGSA-N 1 1 314.386 -2.744 20 0 DAADMO CCN(CCO)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000357995521 263288551 /nfs/dbraw/zinc/28/85/51/263288551.db2.gz PAZPANGHELAXFU-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419246552 263289501 /nfs/dbraw/zinc/28/95/01/263289501.db2.gz MIPVXWZNOSRVKR-IUCAKERBSA-N 1 1 318.324 -1.034 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)NC)C2)C1 ZINC000529739440 263289815 /nfs/dbraw/zinc/28/98/15/263289815.db2.gz MZHMXESIQHCIOR-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)NC)C2)C1 ZINC000529739440 263289818 /nfs/dbraw/zinc/28/98/18/263289818.db2.gz MZHMXESIQHCIOR-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@@](O)(CNC(=O)[C@H](O)C1CCOCC1)C[NH+]1CCOCC1 ZINC000531436116 263290201 /nfs/dbraw/zinc/29/02/01/263290201.db2.gz AFXPZVGZYNDSRA-UKRRQHHQSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(CNC(=O)[C@@H]1CSC[NH2+]1)NCCN1CCOCC1 ZINC000360199715 263290898 /nfs/dbraw/zinc/29/08/98/263290898.db2.gz SCAQGNUEHGBDRB-JTQLQIEISA-N 1 1 302.400 -1.787 20 0 DAADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN1CCCS1(=O)=O ZINC000330706442 263291018 /nfs/dbraw/zinc/29/10/18/263291018.db2.gz LFSQSVOZWKUTAM-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CCOC(=O)C(NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000344374367 263292318 /nfs/dbraw/zinc/29/23/18/263292318.db2.gz SNODDHMTLNDLLT-VIFPVBQESA-N 1 1 302.327 -1.072 20 0 DAADMO CCOC(=O)C(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000344374367 263292321 /nfs/dbraw/zinc/29/23/21/263292321.db2.gz SNODDHMTLNDLLT-VIFPVBQESA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000410533318 263292353 /nfs/dbraw/zinc/29/23/53/263292353.db2.gz YNDGXKLKBHFCFJ-KGLIPLIRSA-N 1 1 324.425 -1.182 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H](C)S1(=O)=O ZINC000423586376 263293153 /nfs/dbraw/zinc/29/31/53/263293153.db2.gz BBHWXUXGRQZDLM-GHMZBOCLSA-N 1 1 317.411 -1.158 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434976134 263293329 /nfs/dbraw/zinc/29/33/29/263293329.db2.gz AEZHESNAABVXMB-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434976134 263293330 /nfs/dbraw/zinc/29/33/30/263293330.db2.gz AEZHESNAABVXMB-LLVKDONJSA-N 1 1 302.375 -1.543 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000353432526 263293583 /nfs/dbraw/zinc/29/35/83/263293583.db2.gz NRRPIIDENUDBLU-NSHDSACASA-N 1 1 322.431 -1.054 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000330470296 263293647 /nfs/dbraw/zinc/29/36/47/263293647.db2.gz AOQPODKXDZCLPJ-LLVKDONJSA-N 1 1 321.447 -1.960 20 0 DAADMO COC[C@H](CO)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353773644 263294045 /nfs/dbraw/zinc/29/40/45/263294045.db2.gz XNDSRQCWDIUTCB-NEPJUHHUSA-N 1 1 316.402 -1.120 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCn2ncnc2C1 ZINC000517191384 263296215 /nfs/dbraw/zinc/29/62/15/263296215.db2.gz JBFZNWCRTFLZDP-JTQLQIEISA-N 1 1 304.354 -1.027 20 0 DAADMO CNS(=O)(=O)CCC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361381190 263296481 /nfs/dbraw/zinc/29/64/81/263296481.db2.gz MFYMERNGUVPUHL-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361381190 263296483 /nfs/dbraw/zinc/29/64/83/263296483.db2.gz MFYMERNGUVPUHL-UHFFFAOYSA-N 1 1 313.445 -1.061 20 0 DAADMO CC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[N@H+]1C[C@@H](C)O ZINC000331322329 263296542 /nfs/dbraw/zinc/29/65/42/263296542.db2.gz MINJKLGESUJBAJ-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397213 263297240 /nfs/dbraw/zinc/29/72/40/263297240.db2.gz DUERPGRRXVIDLF-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](CC(=O)OC)C(=O)OC)C1 ZINC000350397213 263297241 /nfs/dbraw/zinc/29/72/41/263297241.db2.gz DUERPGRRXVIDLF-ZJUUUORDSA-N 1 1 302.327 -1.072 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)S(N)(=O)=O ZINC000441911116 263298251 /nfs/dbraw/zinc/29/82/51/263298251.db2.gz FAGKWIDHUCSNCF-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000354098924 263298724 /nfs/dbraw/zinc/29/87/24/263298724.db2.gz NHFOATGUNFGKKF-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO CCN1C(=O)[C@@H]2CN(CC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000362339988 263298732 /nfs/dbraw/zinc/29/87/32/263298732.db2.gz JDCDLIMMKMPFMS-LBPRGKRZSA-N 1 1 323.397 -1.271 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000372558236 263298834 /nfs/dbraw/zinc/29/88/34/263298834.db2.gz RZQJYIHMQJEQQI-CABZTGNLSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000372558236 263298836 /nfs/dbraw/zinc/29/88/36/263298836.db2.gz RZQJYIHMQJEQQI-CABZTGNLSA-N 1 1 302.327 -1.336 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCOCC1CC1 ZINC000356519944 263299253 /nfs/dbraw/zinc/29/92/53/263299253.db2.gz HWUQHQQJFSDYPG-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO O=S(=O)(N1CCOCC1)N1CC[NH+](CCCCO)CC1 ZINC000343006024 263299286 /nfs/dbraw/zinc/29/92/86/263299286.db2.gz ITSFSMSKJVFMCK-UHFFFAOYSA-N 1 1 307.416 -1.047 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CC=CCC1)S(N)(=O)=O ZINC000362195431 263300780 /nfs/dbraw/zinc/30/07/80/263300780.db2.gz KUICSMJMKSQKPC-JTQLQIEISA-N 1 1 318.399 -1.842 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CC=CCC1)S(N)(=O)=O ZINC000362195431 263300778 /nfs/dbraw/zinc/30/07/78/263300778.db2.gz KUICSMJMKSQKPC-JTQLQIEISA-N 1 1 318.399 -1.842 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](C(N)=O)C2)C1 ZINC000349905322 263300898 /nfs/dbraw/zinc/30/08/98/263300898.db2.gz MAFVAECQAPNRSC-QWRGUYRKSA-N 1 1 300.359 -1.397 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362648178 263301620 /nfs/dbraw/zinc/30/16/20/263301620.db2.gz HNHHDDKTYLKYNX-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000357892785 263302354 /nfs/dbraw/zinc/30/23/54/263302354.db2.gz UOOIPVZNPXKPSO-VIFPVBQESA-N 1 1 318.399 -1.025 20 0 DAADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000357892785 263302356 /nfs/dbraw/zinc/30/23/56/263302356.db2.gz UOOIPVZNPXKPSO-VIFPVBQESA-N 1 1 318.399 -1.025 20 0 DAADMO CCn1c(N)c(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(=O)[nH]c1=O ZINC000441335596 263302424 /nfs/dbraw/zinc/30/24/24/263302424.db2.gz ZOFYYMJDHKWGLS-XVKPBYJWSA-N 1 1 323.353 -1.152 20 0 DAADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC000411025055 263303467 /nfs/dbraw/zinc/30/34/67/263303467.db2.gz ALWSNWRCKBUONN-YNEHKIRRSA-N 1 1 313.398 -1.259 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000262272831 263304274 /nfs/dbraw/zinc/30/42/74/263304274.db2.gz YNONVIXAAQTJHD-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000262272831 263304277 /nfs/dbraw/zinc/30/42/77/263304277.db2.gz YNONVIXAAQTJHD-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC000377472981 263304333 /nfs/dbraw/zinc/30/43/33/263304333.db2.gz PVDZSDUHWDUSSP-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000332612644 263304793 /nfs/dbraw/zinc/30/47/93/263304793.db2.gz GFOXPIGSDWWARW-AGIUHOORSA-N 1 1 311.382 -1.099 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358198689 263304926 /nfs/dbraw/zinc/30/49/26/263304926.db2.gz PXLXTKYLBPFKRZ-JTQLQIEISA-N 1 1 321.399 -1.334 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358198689 263304928 /nfs/dbraw/zinc/30/49/28/263304928.db2.gz PXLXTKYLBPFKRZ-JTQLQIEISA-N 1 1 321.399 -1.334 20 0 DAADMO C[C@H]1[C@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CCC[N@H+]1C ZINC000458653298 263306917 /nfs/dbraw/zinc/30/69/17/263306917.db2.gz OAMMZKYLVSJVAZ-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000357305376 263307016 /nfs/dbraw/zinc/30/70/16/263307016.db2.gz KETGTSFSZJSRJR-LBPRGKRZSA-N 1 1 318.443 -1.239 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000357305376 263307017 /nfs/dbraw/zinc/30/70/17/263307017.db2.gz KETGTSFSZJSRJR-LBPRGKRZSA-N 1 1 318.443 -1.239 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000342928609 263307066 /nfs/dbraw/zinc/30/70/66/263307066.db2.gz OISTYKZBOFBTDL-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000419167393 263308052 /nfs/dbraw/zinc/30/80/52/263308052.db2.gz CYIKOFOGJZGJPO-ZETCQYMHSA-N 1 1 304.297 -1.424 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@H](C)C1 ZINC000356806406 263308858 /nfs/dbraw/zinc/30/88/58/263308858.db2.gz SXRQQFYAFMNEQG-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@H](C)C1 ZINC000356806406 263308861 /nfs/dbraw/zinc/30/88/61/263308861.db2.gz SXRQQFYAFMNEQG-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCC(=O)N1CCOCC1 ZINC000347158867 263309159 /nfs/dbraw/zinc/30/91/59/263309159.db2.gz FRJCIVMTQZQVSE-UHFFFAOYSA-N 1 1 316.402 -1.151 20 0 DAADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343312544 263309628 /nfs/dbraw/zinc/30/96/28/263309628.db2.gz PKZGTNHOFJWIOJ-SNVBAGLBSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000179496138 263311304 /nfs/dbraw/zinc/31/13/04/263311304.db2.gz QGCAYPKIBBLXBF-ZDUSSCGKSA-N 1 1 324.429 -1.028 20 0 DAADMO CCN1CCN(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C(=O)C1=O ZINC000358052158 263311317 /nfs/dbraw/zinc/31/13/17/263311317.db2.gz DPGIIXYLYLRHJD-AWEZNQCLSA-N 1 1 312.370 -2.140 20 0 DAADMO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCN2C1=O ZINC000377996277 263312276 /nfs/dbraw/zinc/31/22/76/263312276.db2.gz GJUYUFGPBOGMMQ-QWRGUYRKSA-N 1 1 310.354 -1.188 20 0 DAADMO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCN2C1=O ZINC000377996277 263312278 /nfs/dbraw/zinc/31/22/78/263312278.db2.gz GJUYUFGPBOGMMQ-QWRGUYRKSA-N 1 1 310.354 -1.188 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000439073118 263312961 /nfs/dbraw/zinc/31/29/61/263312961.db2.gz BUCJYGIFFGCBBT-NSHDSACASA-N 1 1 322.431 -1.197 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000358052556 263313155 /nfs/dbraw/zinc/31/31/55/263313155.db2.gz FTQIVTWPVINWKW-CABCVRRESA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CO)C[NH+]1CCOCC1 ZINC000357997983 263314012 /nfs/dbraw/zinc/31/40/12/263314012.db2.gz WQGOKPUOQNCBJA-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CCOCCNC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430647992 263314271 /nfs/dbraw/zinc/31/42/71/263314271.db2.gz YPEIJNRKMDPNHS-GFCCVEGCSA-N 1 1 300.403 -1.074 20 0 DAADMO C[N@@H+](CCCO)C1CCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000115549941 263314870 /nfs/dbraw/zinc/31/48/70/263314870.db2.gz SVOSENMEPHQEKN-UHFFFAOYSA-N 1 1 312.414 -1.277 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000330816313 263315130 /nfs/dbraw/zinc/31/51/30/263315130.db2.gz LGROUXFYLINEEC-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO COC(=O)C[C@]1([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CCOC1 ZINC000362261133 263315206 /nfs/dbraw/zinc/31/52/06/263315206.db2.gz DRFQJTZDWITKEF-IINYFYTJSA-N 1 1 315.370 -1.109 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000356803395 263316664 /nfs/dbraw/zinc/31/66/64/263316664.db2.gz MEDVZGRCTRNZII-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000356803395 263316665 /nfs/dbraw/zinc/31/66/65/263316665.db2.gz MEDVZGRCTRNZII-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000356740153 263316721 /nfs/dbraw/zinc/31/67/21/263316721.db2.gz PNCPNBCCAYXRGP-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320942436 263317654 /nfs/dbraw/zinc/31/76/54/263317654.db2.gz UAYZVWJIYAJNHM-HZMBPMFUSA-N 1 1 315.370 -1.388 20 0 DAADMO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000320942436 263317656 /nfs/dbraw/zinc/31/76/56/263317656.db2.gz UAYZVWJIYAJNHM-HZMBPMFUSA-N 1 1 315.370 -1.388 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCc1ccn(C)n1 ZINC000358569409 263318198 /nfs/dbraw/zinc/31/81/98/263318198.db2.gz LLBXFJXICKVYBM-UHFFFAOYSA-N 1 1 311.386 -1.227 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331643230 263318521 /nfs/dbraw/zinc/31/85/21/263318521.db2.gz MZUNVVAQFDWQLM-GFCCVEGCSA-N 1 1 318.399 -1.010 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418914483 263318729 /nfs/dbraw/zinc/31/87/29/263318729.db2.gz FSUYFIDPNTXOPK-QWHCGFSZSA-N 1 1 312.414 -1.063 20 0 DAADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000331644222 263318764 /nfs/dbraw/zinc/31/87/64/263318764.db2.gz JCZCUGUPBWMQAF-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358724283 263318836 /nfs/dbraw/zinc/31/88/36/263318836.db2.gz QRMHSXYDCCBNTD-ZFWWWQNUSA-N 1 1 313.446 -1.012 20 0 DAADMO CC(C)N1C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000419502321 263319991 /nfs/dbraw/zinc/31/99/91/263319991.db2.gz AWJVRFVUTRZDFY-MRVPVSSYSA-N 1 1 306.313 -1.178 20 0 DAADMO CNc1nc(NCC2(O)CCC2)[nH+]c(NCC2(O)CCC2)n1 ZINC000343925524 263322564 /nfs/dbraw/zinc/32/25/64/263322564.db2.gz RPWLZDRDWMMVSL-UHFFFAOYSA-N 1 1 308.386 -1.167 20 0 DAADMO O=C(CNC(=O)NCC[N@H+]1CCCOCC1)N1CCOCC1 ZINC000333729533 263324152 /nfs/dbraw/zinc/32/41/52/263324152.db2.gz PJGIQZAPCGLQRB-UHFFFAOYSA-N 1 1 314.386 -1.133 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC(=O)N1 ZINC000332365430 263325394 /nfs/dbraw/zinc/32/53/94/263325394.db2.gz XJOXOZKEYIWSCF-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@@H](C)CO ZINC000443334009 263326376 /nfs/dbraw/zinc/32/63/76/263326376.db2.gz LFQRLTDOAUGDHD-SDDRHHMPSA-N 1 1 301.387 -1.226 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C1 ZINC001194500056 782039103 /nfs/dbraw/zinc/03/91/03/782039103.db2.gz CUEQWCJXCFMPCV-HBNTYKKESA-N 1 1 302.375 -1.633 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCCC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001194493290 782039731 /nfs/dbraw/zinc/03/97/31/782039731.db2.gz FIXJHRSJUDMBFI-QWRGUYRKSA-N 1 1 324.381 -1.020 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194485069 782040361 /nfs/dbraw/zinc/04/03/61/782040361.db2.gz SBTYAZZUQLBEMO-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001194485069 782040371 /nfs/dbraw/zinc/04/03/71/782040371.db2.gz SBTYAZZUQLBEMO-VIFPVBQESA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CCCC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001194493288 782040516 /nfs/dbraw/zinc/04/05/16/782040516.db2.gz FIXJHRSJUDMBFI-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194545747 782040786 /nfs/dbraw/zinc/04/07/86/782040786.db2.gz OLERVDWEWRMODM-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001194545747 782040796 /nfs/dbraw/zinc/04/07/96/782040796.db2.gz OLERVDWEWRMODM-WDEREUQCSA-N 1 1 324.381 -1.340 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194448331 782041067 /nfs/dbraw/zinc/04/10/67/782041067.db2.gz BPQIMZDIETVYTI-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194448331 782041079 /nfs/dbraw/zinc/04/10/79/782041079.db2.gz BPQIMZDIETVYTI-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001194682263 782041434 /nfs/dbraw/zinc/04/14/34/782041434.db2.gz YTAUGBYKLMPXAT-VXGBXAGGSA-N 1 1 302.371 -1.417 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001194682263 782041444 /nfs/dbraw/zinc/04/14/44/782041444.db2.gz YTAUGBYKLMPXAT-VXGBXAGGSA-N 1 1 302.371 -1.417 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001194681903 782042238 /nfs/dbraw/zinc/04/22/38/782042238.db2.gz OJEXHTLBLIZBQO-CQSZACIVSA-N 1 1 323.397 -1.086 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721651 782043879 /nfs/dbraw/zinc/04/38/79/782043879.db2.gz XMYNYLYMCMQTIA-VXGBXAGGSA-N 1 1 309.370 -1.511 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1O ZINC001194720149 782044069 /nfs/dbraw/zinc/04/40/69/782044069.db2.gz HQBJQWWITIBOOB-NXEZZACHSA-N 1 1 324.341 -2.452 20 0 DAADMO Cc1[nH]c(=O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1Cl ZINC001194711364 782044571 /nfs/dbraw/zinc/04/45/71/782044571.db2.gz RBIGCFZPGCIIKA-GUBZILKMSA-N 1 1 312.761 -1.118 20 0 DAADMO O=C(CCc1ccon1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194694029 782045074 /nfs/dbraw/zinc/04/50/74/782045074.db2.gz CYZBOCIMEQFUGC-CHWSQXEVSA-N 1 1 313.354 -1.223 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001194762123 782045906 /nfs/dbraw/zinc/04/59/06/782045906.db2.gz QWQPMFINFNGYHF-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO NC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001194762123 782045918 /nfs/dbraw/zinc/04/59/18/782045918.db2.gz QWQPMFINFNGYHF-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001194841011 782047613 /nfs/dbraw/zinc/04/76/13/782047613.db2.gz WPIQNPWKRQULDW-DMDPSCGWSA-N 1 1 324.381 -1.284 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194795887 782048008 /nfs/dbraw/zinc/04/80/08/782048008.db2.gz WLVKKHYHOXRRGJ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)CNC(N)=O)CC2)C1=O ZINC001194795887 782048018 /nfs/dbraw/zinc/04/80/18/782048018.db2.gz WLVKKHYHOXRRGJ-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CNC(=O)C1 ZINC001194886847 782048505 /nfs/dbraw/zinc/04/85/05/782048505.db2.gz NFJNTGGQLCMBJP-JTNHKYCSSA-N 1 1 315.370 -2.317 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CNC(=O)C1 ZINC001194886847 782048506 /nfs/dbraw/zinc/04/85/06/782048506.db2.gz NFJNTGGQLCMBJP-JTNHKYCSSA-N 1 1 315.370 -2.317 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC001194882830 782049811 /nfs/dbraw/zinc/04/98/11/782049811.db2.gz IHKUQVAHMJGRCM-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645264 276392444 /nfs/dbraw/zinc/39/24/44/276392444.db2.gz JPQSNPONYDBBGG-UTUOFQBUSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H]([NH+](C)CC(=O)[O-])C2)C1 ZINC000364645264 276392447 /nfs/dbraw/zinc/39/24/47/276392447.db2.gz JPQSNPONYDBBGG-UTUOFQBUSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)C1 ZINC000364645264 276392449 /nfs/dbraw/zinc/39/24/49/276392449.db2.gz JPQSNPONYDBBGG-UTUOFQBUSA-N 1 1 315.370 -1.705 20 0 DAADMO CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)C1 ZINC000364645264 276392451 /nfs/dbraw/zinc/39/24/51/276392451.db2.gz JPQSNPONYDBBGG-UTUOFQBUSA-N 1 1 315.370 -1.705 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952929 782050749 /nfs/dbraw/zinc/05/07/49/782050749.db2.gz WTCUPQZTTTZPLV-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@]1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCOC1 ZINC001195012998 782051076 /nfs/dbraw/zinc/05/10/76/782051076.db2.gz VFQNPQUSIZKCFS-YRGRVCCFSA-N 1 1 302.371 -1.417 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194951854 782051538 /nfs/dbraw/zinc/05/15/38/782051538.db2.gz JUAGHPIXXREHSY-GHMZBOCLSA-N 1 1 313.358 -2.220 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000354511035 279385219 /nfs/dbraw/zinc/38/52/19/279385219.db2.gz OUWKZVXSPQFJIX-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)C1 ZINC000354511035 279385222 /nfs/dbraw/zinc/38/52/22/279385222.db2.gz OUWKZVXSPQFJIX-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c1=O ZINC001194951897 782052092 /nfs/dbraw/zinc/05/20/92/782052092.db2.gz KPHTWQQMQZERPJ-GHMZBOCLSA-N 1 1 315.349 -1.507 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(COC)CCOC2)C1 ZINC001195012890 782052305 /nfs/dbraw/zinc/05/23/05/782052305.db2.gz SPVACCQCXVEMRK-YRGRVCCFSA-N 1 1 302.371 -1.153 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1O ZINC001194998188 782053166 /nfs/dbraw/zinc/05/31/66/782053166.db2.gz ZQFDOTRMWZLQAH-IVZWLZJFSA-N 1 1 324.403 -2.764 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)CNC(=O)OC)CC1 ZINC001195000175 782054080 /nfs/dbraw/zinc/05/40/80/782054080.db2.gz VWESERMQGCZTQN-LLVKDONJSA-N 1 1 303.359 -1.116 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001195025276 782053945 /nfs/dbraw/zinc/05/39/45/782053945.db2.gz KNENNOUYYOGSJX-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001195025276 782053956 /nfs/dbraw/zinc/05/39/56/782053956.db2.gz KNENNOUYYOGSJX-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194997950 782053911 /nfs/dbraw/zinc/05/39/11/782053911.db2.gz VCDNYWYKBYBISQ-RKDXNWHRSA-N 1 1 310.376 -3.416 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1csnn1 ZINC001195049396 782054691 /nfs/dbraw/zinc/05/46/91/782054691.db2.gz CFCRFVSHGNNMHA-PSASIEDQSA-N 1 1 302.356 -1.678 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1csnn1 ZINC001195049396 782054696 /nfs/dbraw/zinc/05/46/96/782054696.db2.gz CFCRFVSHGNNMHA-PSASIEDQSA-N 1 1 302.356 -1.678 20 0 DAADMO CCOC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001195113952 782055016 /nfs/dbraw/zinc/05/50/16/782055016.db2.gz HHRXBTWLUPGBNY-AVGNSLFASA-N 1 1 319.365 -1.004 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001195072800 782055973 /nfs/dbraw/zinc/05/59/73/782055973.db2.gz JYGSYQIZUWJHGU-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001195072800 782055985 /nfs/dbraw/zinc/05/59/85/782055985.db2.gz JYGSYQIZUWJHGU-MCIONIFRSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001195149616 782058163 /nfs/dbraw/zinc/05/81/63/782058163.db2.gz VHYPGWMQIIOUGO-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO O=C(CCn1ccnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001195149616 782058171 /nfs/dbraw/zinc/05/81/71/782058171.db2.gz VHYPGWMQIIOUGO-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO CC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195237224 782058220 /nfs/dbraw/zinc/05/82/20/782058220.db2.gz JCQMAMUDUSWKFO-LSMGEYOZSA-N 1 1 324.425 -1.064 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCCN(CC(=O)NC(N)=O)CC1 ZINC001195267240 782059777 /nfs/dbraw/zinc/05/97/77/782059777.db2.gz HAKKOIBOSIEIJT-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195271896 782059902 /nfs/dbraw/zinc/05/99/02/782059902.db2.gz PITRSWZKCUTWDZ-FXPVBKGRSA-N 1 1 314.342 -2.092 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001195277274 782060820 /nfs/dbraw/zinc/06/08/20/782060820.db2.gz DPDSNMSGVYIFES-IJLUTSLNSA-N 1 1 314.386 -1.404 20 0 DAADMO CC[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195325616 782061220 /nfs/dbraw/zinc/06/12/20/782061220.db2.gz BONFOJIQCOTAAW-GMTAPVOTSA-N 1 1 302.350 -1.079 20 0 DAADMO CC[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001195325616 782061235 /nfs/dbraw/zinc/06/12/35/782061235.db2.gz BONFOJIQCOTAAW-GMTAPVOTSA-N 1 1 302.350 -1.079 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001195294648 782062577 /nfs/dbraw/zinc/06/25/77/782062577.db2.gz PHXAISPLHTWSJO-RAIGVLPGSA-N 1 1 323.397 -1.365 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195286511 782062405 /nfs/dbraw/zinc/06/24/05/782062405.db2.gz JPPBTEKNQHLUHW-IJLUTSLNSA-N 1 1 317.386 -1.678 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195286511 782062415 /nfs/dbraw/zinc/06/24/15/782062415.db2.gz JPPBTEKNQHLUHW-IJLUTSLNSA-N 1 1 317.386 -1.678 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001195294646 782062743 /nfs/dbraw/zinc/06/27/43/782062743.db2.gz PHXAISPLHTWSJO-CYZMBNFOSA-N 1 1 323.397 -1.365 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001195422677 782065259 /nfs/dbraw/zinc/06/52/59/782065259.db2.gz ILDLBBTVFICPSV-LSUSWQKBSA-N 1 1 300.355 -1.953 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001195404783 782065318 /nfs/dbraw/zinc/06/53/18/782065318.db2.gz SERHLWZCASQZTP-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001195413893 782065798 /nfs/dbraw/zinc/06/57/98/782065798.db2.gz ZNXWTQNGCWFMHJ-IJLUTSLNSA-N 1 1 312.370 -1.489 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)n1 ZINC001195367370 782064465 /nfs/dbraw/zinc/06/44/65/782064465.db2.gz UTPDTCCLJVPORQ-GHMZBOCLSA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)n1 ZINC001195367370 782064471 /nfs/dbraw/zinc/06/44/71/782064471.db2.gz UTPDTCCLJVPORQ-GHMZBOCLSA-N 1 1 310.358 -1.588 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195366955 782064491 /nfs/dbraw/zinc/06/44/91/782064491.db2.gz QUKREWWDVQURFD-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001195366955 782064499 /nfs/dbraw/zinc/06/44/99/782064499.db2.gz QUKREWWDVQURFD-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001195413894 782066051 /nfs/dbraw/zinc/06/60/51/782066051.db2.gz ZNXWTQNGCWFMHJ-QJPTWQEYSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001195472642 782068310 /nfs/dbraw/zinc/06/83/10/782068310.db2.gz CRUHBBDQRMSNBS-QXFUBDJGSA-N 1 1 317.367 -1.369 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCF)C1 ZINC001195381290 782066433 /nfs/dbraw/zinc/06/64/33/782066433.db2.gz XURRZYQIWNCDPD-JHJVBQTASA-N 1 1 322.377 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001195422678 782067069 /nfs/dbraw/zinc/06/70/69/782067069.db2.gz ILDLBBTVFICPSV-LYUGOTMTSA-N 1 1 300.355 -1.953 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCF)C1 ZINC001195381291 782067228 /nfs/dbraw/zinc/06/72/28/782067228.db2.gz XURRZYQIWNCDPD-YNEHKIRRSA-N 1 1 322.377 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001195390836 782067451 /nfs/dbraw/zinc/06/74/51/782067451.db2.gz YFLMENUFPFCJKZ-YIYPIFLZSA-N 1 1 315.414 -1.361 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001195423057 782068870 /nfs/dbraw/zinc/06/88/70/782068870.db2.gz QSGJKAMVJHKFBI-MLGHIDQZSA-N 1 1 300.355 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001195423057 782068878 /nfs/dbraw/zinc/06/88/78/782068878.db2.gz QSGJKAMVJHKFBI-MLGHIDQZSA-N 1 1 300.355 -1.951 20 0 DAADMO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195550473 782068962 /nfs/dbraw/zinc/06/89/62/782068962.db2.gz YUCLFMRPWAZDTB-UHFFFAOYSA-N 1 1 324.385 -1.239 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC001195555817 782068705 /nfs/dbraw/zinc/06/87/05/782068705.db2.gz MHFYBUJNBIQGQP-UHFFFAOYSA-N 1 1 324.385 -1.004 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC001195555817 782068719 /nfs/dbraw/zinc/06/87/19/782068719.db2.gz MHFYBUJNBIQGQP-UHFFFAOYSA-N 1 1 324.385 -1.004 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(=O)n(C)c1=O ZINC001195549831 782070633 /nfs/dbraw/zinc/07/06/33/782070633.db2.gz DFFICVWQILKIOO-XHNCKOQMSA-N 1 1 309.330 -3.783 20 0 DAADMO CCN(CC[NH2+]CCN1CCNC1=O)C(=O)Cc1ncn[nH]1 ZINC001273702579 782071004 /nfs/dbraw/zinc/07/10/04/782071004.db2.gz PWGKIYCRJDHFNW-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(=O)n(C)c1=O ZINC001195549829 782071028 /nfs/dbraw/zinc/07/10/28/782071028.db2.gz DFFICVWQILKIOO-HRDYMLBCSA-N 1 1 309.330 -3.783 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(=O)n(C)c1=O ZINC001195549830 782071487 /nfs/dbraw/zinc/07/14/87/782071487.db2.gz DFFICVWQILKIOO-VGMNWLOBSA-N 1 1 309.330 -3.783 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195640786 782072342 /nfs/dbraw/zinc/07/23/42/782072342.db2.gz ODXJEWLVDQPUJR-JMJZKYOTSA-N 1 1 312.326 -2.448 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001195647328 782074462 /nfs/dbraw/zinc/07/44/62/782074462.db2.gz HWOMHAZAYLUSLT-CHWSQXEVSA-N 1 1 322.365 -1.029 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001195647328 782074471 /nfs/dbraw/zinc/07/44/71/782074471.db2.gz HWOMHAZAYLUSLT-CHWSQXEVSA-N 1 1 322.365 -1.029 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001195681481 782074910 /nfs/dbraw/zinc/07/49/10/782074910.db2.gz DKJMIXOUSBIECY-QWRGUYRKSA-N 1 1 301.343 -1.364 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747757 782081336 /nfs/dbraw/zinc/08/13/36/782081336.db2.gz YLSSOFDJIJFWNS-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001195790063 782082729 /nfs/dbraw/zinc/08/27/29/782082729.db2.gz NYZHIOBVCFWLLH-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)CC1 ZINC001195790063 782082737 /nfs/dbraw/zinc/08/27/37/782082737.db2.gz NYZHIOBVCFWLLH-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001195806282 782083717 /nfs/dbraw/zinc/08/37/17/782083717.db2.gz MGGGEKAOQUYTOY-UHFFFAOYSA-N 1 1 322.431 -1.749 20 0 DAADMO CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195717783 782078298 /nfs/dbraw/zinc/07/82/98/782078298.db2.gz JSRXBJLYGVFZEQ-IJLUTSLNSA-N 1 1 314.386 -1.356 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195718426 782078672 /nfs/dbraw/zinc/07/86/72/782078672.db2.gz YLJGSVDDUWTCSI-QJPTWQEYSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195718426 782078681 /nfs/dbraw/zinc/07/86/81/782078681.db2.gz YLJGSVDDUWTCSI-QJPTWQEYSA-N 1 1 315.370 -1.781 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195718369 782078697 /nfs/dbraw/zinc/07/86/97/782078697.db2.gz VYBRJNVAHKEIOL-QJPTWQEYSA-N 1 1 312.370 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001195718369 782078708 /nfs/dbraw/zinc/07/87/08/782078708.db2.gz VYBRJNVAHKEIOL-QJPTWQEYSA-N 1 1 312.370 -1.744 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001195736683 782078856 /nfs/dbraw/zinc/07/88/56/782078856.db2.gz PLSVLIIOTZQKMF-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001195736683 782078861 /nfs/dbraw/zinc/07/88/61/782078861.db2.gz PLSVLIIOTZQKMF-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195717898 782079698 /nfs/dbraw/zinc/07/96/98/782079698.db2.gz LWZVTWSTNFDFCX-IJLUTSLNSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001195736183 782079858 /nfs/dbraw/zinc/07/98/58/782079858.db2.gz HJGHYOOUYJMRGU-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@H+](CCNC(=O)C2CC2)CC1 ZINC001195864887 782084399 /nfs/dbraw/zinc/08/43/99/782084399.db2.gz CJDUXWCAXZCCGX-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+](CCNC(=O)C2CC2)CC1 ZINC001195864887 782084407 /nfs/dbraw/zinc/08/44/07/782084407.db2.gz CJDUXWCAXZCCGX-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001195859004 782085164 /nfs/dbraw/zinc/08/51/64/782085164.db2.gz AHOUUBVLSBHIOF-JHJVBQTASA-N 1 1 322.413 -1.122 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001195939783 782087101 /nfs/dbraw/zinc/08/71/01/782087101.db2.gz GGDYFOSHUNLUOG-BIAAXOCRSA-N 1 1 315.370 -2.176 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C(C)C ZINC001195882433 782087146 /nfs/dbraw/zinc/08/71/46/782087146.db2.gz ZHIPWPNLHBJLFA-UPJWGTAASA-N 1 1 304.387 -1.172 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C(C)C ZINC001195882433 782087157 /nfs/dbraw/zinc/08/71/57/782087157.db2.gz ZHIPWPNLHBJLFA-UPJWGTAASA-N 1 1 304.387 -1.172 20 0 DAADMO C[C@H](CC(=O)N1CCC[N@@H+](CCOCCO)CC1)NC(N)=O ZINC001195852810 782086060 /nfs/dbraw/zinc/08/60/60/782086060.db2.gz DKMPCPJLNXONDK-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001196078506 782091679 /nfs/dbraw/zinc/09/16/79/782091679.db2.gz MVPSPGYIOAWJSY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001196078506 782091688 /nfs/dbraw/zinc/09/16/88/782091688.db2.gz MVPSPGYIOAWJSY-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001196030087 782089722 /nfs/dbraw/zinc/08/97/22/782089722.db2.gz NHUKJVMMRDZYAO-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001196030087 782089733 /nfs/dbraw/zinc/08/97/33/782089733.db2.gz NHUKJVMMRDZYAO-JHJVBQTASA-N 1 1 320.386 -1.528 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001196067341 782091058 /nfs/dbraw/zinc/09/10/58/782091058.db2.gz VGWKBYYMMKRPOR-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001196145368 782091956 /nfs/dbraw/zinc/09/19/56/782091956.db2.gz JUSFTNKRZUZLPL-WISYIIOYSA-N 1 1 315.370 -1.783 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001196079643 782092096 /nfs/dbraw/zinc/09/20/96/782092096.db2.gz VXEYGJWFRYTAHZ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001196079643 782092100 /nfs/dbraw/zinc/09/21/00/782092100.db2.gz VXEYGJWFRYTAHZ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001196040449 782093305 /nfs/dbraw/zinc/09/33/05/782093305.db2.gz HPNWFBCYJGPVLJ-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196185565 782094621 /nfs/dbraw/zinc/09/46/21/782094621.db2.gz ZWBVJIVMNUPRTF-LMLFDSFASA-N 1 1 301.343 -2.722 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196185565 782094630 /nfs/dbraw/zinc/09/46/30/782094630.db2.gz ZWBVJIVMNUPRTF-LMLFDSFASA-N 1 1 301.343 -2.722 20 0 DAADMO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1)C(=O)OC ZINC000570642282 332789404 /nfs/dbraw/zinc/78/94/04/332789404.db2.gz HPAWSGVSMXHWEZ-CHIMOYNISA-N 1 1 315.370 -1.076 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001196199280 782095058 /nfs/dbraw/zinc/09/50/58/782095058.db2.gz FYQFMXMFFUXYAM-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[NH2+][C@]1(C(N)=O)CCOC1)C(C)C ZINC000568170405 331725003 /nfs/dbraw/zinc/72/50/03/331725003.db2.gz KJPRXCISTJENHX-GXFFZTMASA-N 1 1 301.343 -1.466 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000569462034 332094172 /nfs/dbraw/zinc/09/41/72/332094172.db2.gz BWAIQDAPYWXELR-GFCCVEGCSA-N 1 1 318.443 -1.178 20 0 DAADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000410529905 332151243 /nfs/dbraw/zinc/15/12/43/332151243.db2.gz RGRXHOOUCMXDHB-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(S(N)(=O)=O)CC1)[C@H]1CCSC1 ZINC000533871122 332226619 /nfs/dbraw/zinc/22/66/19/332226619.db2.gz FEGJMTRPPGTUDX-JTQLQIEISA-N 1 1 322.456 -1.229 20 0 DAADMO C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)NCC[NH+](C)C ZINC000561720006 332485587 /nfs/dbraw/zinc/48/55/87/332485587.db2.gz GVUIQSZCWZKPFM-VIFPVBQESA-N 1 1 307.416 -1.008 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)C1 ZINC001196167040 782095286 /nfs/dbraw/zinc/09/52/86/782095286.db2.gz AVMZRVOVJCMZNV-BFHYXJOUSA-N 1 1 315.414 -1.502 20 0 DAADMO COCCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1=O ZINC000582040970 333181972 /nfs/dbraw/zinc/18/19/72/333181972.db2.gz JTBUHFXQAOLTNO-ZDUSSCGKSA-N 1 1 303.403 -1.284 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563110002 333391497 /nfs/dbraw/zinc/39/14/97/333391497.db2.gz YLMHBSGBTKCVJP-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CO)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534316310 333576028 /nfs/dbraw/zinc/57/60/28/333576028.db2.gz ODCDBOUFMLROFH-STQMWFEESA-N 1 1 302.371 -1.321 20 0 DAADMO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCCN[C@@H]3C2)CC1=O ZINC000571332106 333750954 /nfs/dbraw/zinc/75/09/54/333750954.db2.gz WDVHLLFVRIQOIX-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000333819420 336210495 /nfs/dbraw/zinc/21/04/95/336210495.db2.gz KQTHMBVYVXQDJM-ZIAGYGMSSA-N 1 1 313.446 -1.012 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196338305 782100890 /nfs/dbraw/zinc/10/08/90/782100890.db2.gz GOPYOXZDRPBOMH-MGPQQGTHSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196338305 782100899 /nfs/dbraw/zinc/10/08/99/782100899.db2.gz GOPYOXZDRPBOMH-MGPQQGTHSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196340160 782100957 /nfs/dbraw/zinc/10/09/57/782100957.db2.gz WUDKYOHDDBVHAG-YNEHKIRRSA-N 1 1 324.385 -1.646 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196340160 782100962 /nfs/dbraw/zinc/10/09/62/782100962.db2.gz WUDKYOHDDBVHAG-YNEHKIRRSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001196325330 782101545 /nfs/dbraw/zinc/10/15/45/782101545.db2.gz OWIJPVNLRPGSRO-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001196388128 782102892 /nfs/dbraw/zinc/10/28/92/782102892.db2.gz DAZRIVBNDKIBTI-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001196388057 782102975 /nfs/dbraw/zinc/10/29/75/782102975.db2.gz AGKHCUHHVWJJPJ-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO O=C(NCC(F)F)C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001196388057 782102980 /nfs/dbraw/zinc/10/29/80/782102980.db2.gz AGKHCUHHVWJJPJ-UHFFFAOYSA-N 1 1 323.340 -1.089 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196422076 782104175 /nfs/dbraw/zinc/10/41/75/782104175.db2.gz VBQOZQHTTJFHMH-HBNTYKKESA-N 1 1 307.416 -1.115 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196422053 782104228 /nfs/dbraw/zinc/10/42/28/782104228.db2.gz UOEVRQGVYGGNSH-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196422052 782104741 /nfs/dbraw/zinc/10/47/41/782104741.db2.gz UOEVRQGVYGGNSH-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196429666 782104824 /nfs/dbraw/zinc/10/48/24/782104824.db2.gz PGJSERKRMYHXRL-FBIMIBRVSA-N 1 1 305.400 -1.505 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490428 782105211 /nfs/dbraw/zinc/10/52/11/782105211.db2.gz PRGSVKVAYMNKFI-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196422348 782105535 /nfs/dbraw/zinc/10/55/35/782105535.db2.gz ZAPSSWHWQDEACZ-IVZWLZJFSA-N 1 1 309.388 -2.268 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196609270 782105886 /nfs/dbraw/zinc/10/58/86/782105886.db2.gz VXZLTYFBVOGVAJ-GHMZBOCLSA-N 1 1 316.402 -1.372 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001196576144 782106657 /nfs/dbraw/zinc/10/66/57/782106657.db2.gz KLNPALWQQZOOAS-RAIGVLPGSA-N 1 1 302.371 -1.276 20 0 DAADMO CCC[C@H](C(=O)N1CCC[N@H+](CCO)CC1)S(N)(=O)=O ZINC001196649838 782108938 /nfs/dbraw/zinc/10/89/38/782108938.db2.gz ZRQKNKBZPLLUPG-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO CCC[C@H](C(=O)N1CCC[N@@H+](CCO)CC1)S(N)(=O)=O ZINC001196649838 782108945 /nfs/dbraw/zinc/10/89/45/782108945.db2.gz ZRQKNKBZPLLUPG-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)on2)[C@H]2NCN[C@H]21 ZINC001196228394 782096909 /nfs/dbraw/zinc/09/69/09/782096909.db2.gz CEVRVFZVFRFHJF-YNEHKIRRSA-N 1 1 315.337 -1.131 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)NCC[NH2+]Cc1ccon1 ZINC001152254524 782097702 /nfs/dbraw/zinc/09/77/02/782097702.db2.gz PIOAWTHTZLRSNC-UHFFFAOYSA-N 1 1 307.314 -1.712 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)O1 ZINC001196284009 782099924 /nfs/dbraw/zinc/09/99/24/782099924.db2.gz OJNYLGYKHRYXLU-FDYHWXHSSA-N 1 1 302.371 -1.276 20 0 DAADMO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)O1 ZINC001196284009 782099935 /nfs/dbraw/zinc/09/99/35/782099935.db2.gz OJNYLGYKHRYXLU-FDYHWXHSSA-N 1 1 302.371 -1.276 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[N@@H+](C[C@H](C)OC)CC1 ZINC001196656990 782109302 /nfs/dbraw/zinc/10/93/02/782109302.db2.gz XTYFDQFVPDAJAX-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@@H+](CCOCCO)CC2)NC1=O ZINC001196731508 782109947 /nfs/dbraw/zinc/10/99/47/782109947.db2.gz FAQZOBPTLJQDQE-LBPRGKRZSA-N 1 1 314.386 -1.447 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739560 782110044 /nfs/dbraw/zinc/11/00/44/782110044.db2.gz PVCIHVOMVBTFQB-IJLUTSLNSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000563985151 336389442 /nfs/dbraw/zinc/38/94/42/336389442.db2.gz ZMRHZCDHHDAABA-UHFFFAOYSA-N 1 1 323.353 -1.620 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000583701953 337094910 /nfs/dbraw/zinc/09/49/10/337094910.db2.gz FCTZJRZDLCKIKJ-UHFFFAOYSA-N 1 1 320.309 -1.521 20 0 DAADMO COCCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000582651850 337120798 /nfs/dbraw/zinc/12/07/98/337120798.db2.gz TXIPKUMLYJNDOA-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000582710652 337123652 /nfs/dbraw/zinc/12/36/52/337123652.db2.gz LXLKYUYBIJNSPE-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000584477564 337347882 /nfs/dbraw/zinc/34/78/82/337347882.db2.gz LOUQLXDQASFURU-VXGBXAGGSA-N 1 1 308.448 -1.196 20 0 DAADMO O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000422503134 337682513 /nfs/dbraw/zinc/68/25/13/337682513.db2.gz MCTBQIWBLJSUFG-GFCCVEGCSA-N 1 1 308.382 -1.207 20 0 DAADMO Cc1n[nH]cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424038384 337730686 /nfs/dbraw/zinc/73/06/86/337730686.db2.gz ICAPZZLSMXBPKO-UHFFFAOYSA-N 1 1 313.383 -1.222 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@@H]2CCNC2=O)COC1)[C@@H]1CCNC1=O ZINC000542980804 341027682 /nfs/dbraw/zinc/02/76/82/341027682.db2.gz MKPNBPVVQRHGBO-VXGBXAGGSA-N 1 1 310.398 -1.356 20 0 DAADMO COCC[NH+]1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000543762429 341057535 /nfs/dbraw/zinc/05/75/35/341057535.db2.gz PXARAJQVHZYOBG-UHFFFAOYSA-N 1 1 313.402 -1.608 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000131288000 341073570 /nfs/dbraw/zinc/07/35/70/341073570.db2.gz OQRJLZRZLBPHGH-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)c(=O)n(C)c1=O ZINC000544761003 341093182 /nfs/dbraw/zinc/09/31/82/341093182.db2.gz AZHKSDSYRLTWFB-AWEZNQCLSA-N 1 1 310.354 -1.304 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@]2(C)CO)c(=O)n(C)c1=O ZINC000544761003 341093183 /nfs/dbraw/zinc/09/31/83/341093183.db2.gz AZHKSDSYRLTWFB-AWEZNQCLSA-N 1 1 310.354 -1.304 20 0 DAADMO CNC(=O)c1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cn1C ZINC000234359226 341122269 /nfs/dbraw/zinc/12/22/69/341122269.db2.gz RWGYJASRKZCREX-VIFPVBQESA-N 1 1 316.383 -1.349 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCC(=O)N2CCOCC2)C1 ZINC000545883466 341143964 /nfs/dbraw/zinc/14/39/64/341143964.db2.gz MKLJMAABRRLYTF-CYBMUJFWSA-N 1 1 300.359 -1.789 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C1CC(O)C1 ZINC000546094649 341153850 /nfs/dbraw/zinc/15/38/50/341153850.db2.gz OXHHIULMIQLXCU-UEJVZZJDSA-N 1 1 310.354 -1.308 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C1CC(O)C1 ZINC000546094649 341153851 /nfs/dbraw/zinc/15/38/51/341153851.db2.gz OXHHIULMIQLXCU-UEJVZZJDSA-N 1 1 310.354 -1.308 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000546572718 341173200 /nfs/dbraw/zinc/17/32/00/341173200.db2.gz MCVUAPLNDHPMEP-IJLUTSLNSA-N 1 1 307.416 -1.003 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000546572720 341173214 /nfs/dbraw/zinc/17/32/14/341173214.db2.gz MCVUAPLNDHPMEP-UTUOFQBUSA-N 1 1 307.416 -1.003 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000546572719 341173226 /nfs/dbraw/zinc/17/32/26/341173226.db2.gz MCVUAPLNDHPMEP-TUAOUCFPSA-N 1 1 307.416 -1.003 20 0 DAADMO C[C@@H]1CN(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000546572717 341173253 /nfs/dbraw/zinc/17/32/53/341173253.db2.gz MCVUAPLNDHPMEP-GRYCIOLGSA-N 1 1 307.416 -1.003 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)S(C)(=O)=O ZINC000551719972 341349989 /nfs/dbraw/zinc/34/99/89/341349989.db2.gz IGHLOSWYSLNBAR-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000551719972 341349990 /nfs/dbraw/zinc/34/99/90/341349990.db2.gz IGHLOSWYSLNBAR-SECBINFHSA-N 1 1 305.400 -1.254 20 0 DAADMO O=C(c1cnccn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566209675 341550824 /nfs/dbraw/zinc/55/08/24/341550824.db2.gz WAHLTMJZHJYHPH-UHFFFAOYSA-N 1 1 311.367 -1.464 20 0 DAADMO Nc1ccoc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566257448 341552272 /nfs/dbraw/zinc/55/22/72/341552272.db2.gz KIIOBLKPJSFKKA-UHFFFAOYSA-N 1 1 314.367 -1.079 20 0 DAADMO C[C@@]1(F)C[NH2+]CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000566563091 341561896 /nfs/dbraw/zinc/56/18/96/341561896.db2.gz APQCSJACRKDZCB-GFCCVEGCSA-N 1 1 307.391 -1.123 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000567523382 341612239 /nfs/dbraw/zinc/61/22/39/341612239.db2.gz YEXPKJJADBDATN-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CCNCC1=O ZINC000567917067 341640638 /nfs/dbraw/zinc/64/06/38/341640638.db2.gz UHBHLQZQVUYUKW-NSHDSACASA-N 1 1 306.370 -1.675 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000573737223 341737854 /nfs/dbraw/zinc/73/78/54/341737854.db2.gz MYYGMDUBFIJIMQ-UHFFFAOYSA-N 1 1 322.356 -1.123 20 0 DAADMO Cn1nnc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000576647631 341856927 /nfs/dbraw/zinc/85/69/27/341856927.db2.gz AFMWVXYEEOAALI-UHFFFAOYSA-N 1 1 310.362 -1.827 20 0 DAADMO C[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)[NH+]1CC(C)C1 ZINC000577003198 341875087 /nfs/dbraw/zinc/87/50/87/341875087.db2.gz NXBCOTPOQXRLTG-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001196753201 782111945 /nfs/dbraw/zinc/11/19/45/782111945.db2.gz LSJUJNKBMYJKDQ-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001196753201 782111948 /nfs/dbraw/zinc/11/19/48/782111948.db2.gz LSJUJNKBMYJKDQ-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114311330 782113824 /nfs/dbraw/zinc/11/38/24/782113824.db2.gz LNCLTXHTPLDYSG-NNYUYHANSA-N 1 1 319.427 -1.257 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196846327 782113976 /nfs/dbraw/zinc/11/39/76/782113976.db2.gz ZSLVGBDANCJVAD-IJLUTSLNSA-N 1 1 315.370 -2.175 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001196883826 782114094 /nfs/dbraw/zinc/11/40/94/782114094.db2.gz WGBTXUXYQVJHSU-YUSALJHKSA-N 1 1 301.387 -1.309 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196819497 782114722 /nfs/dbraw/zinc/11/47/22/782114722.db2.gz KJLGVGZSFCJDIV-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196819497 782114725 /nfs/dbraw/zinc/11/47/25/782114725.db2.gz KJLGVGZSFCJDIV-CHWSQXEVSA-N 1 1 319.369 -1.205 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196918031 782114831 /nfs/dbraw/zinc/11/48/31/782114831.db2.gz AHCNJZZFIWNUNG-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]c2)C1 ZINC001196811930 782114865 /nfs/dbraw/zinc/11/48/65/782114865.db2.gz GAFLGBHPWVHPNP-JHJVBQTASA-N 1 1 312.370 -1.489 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)nc(C)n1 ZINC001196891886 782115039 /nfs/dbraw/zinc/11/50/39/782115039.db2.gz JENQOUJIOWVEFR-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)nc(C)n1 ZINC001196891886 782115049 /nfs/dbraw/zinc/11/50/49/782115049.db2.gz JENQOUJIOWVEFR-ZIAGYGMSSA-N 1 1 324.381 -1.123 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110486681 782115113 /nfs/dbraw/zinc/11/51/13/782115113.db2.gz MLFQFYLSJXQFQZ-QCNOEVLYSA-N 1 1 314.386 -1.226 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCN(C(=O)C(N)=O)CC1 ZINC001196977620 782115845 /nfs/dbraw/zinc/11/58/45/782115845.db2.gz QLNYVZLWOZPUSM-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953366 782118385 /nfs/dbraw/zinc/11/83/85/782118385.db2.gz CYXDWGAUEGBIGB-YNEHKIRRSA-N 1 1 301.387 -1.749 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001196946575 782117317 /nfs/dbraw/zinc/11/73/17/782117317.db2.gz MHIODEROHBZTAA-IJLUTSLNSA-N 1 1 314.386 -1.674 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001196963441 782119988 /nfs/dbraw/zinc/11/99/88/782119988.db2.gz RPFIQVFWPKCKOJ-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001197017809 782120400 /nfs/dbraw/zinc/12/04/00/782120400.db2.gz JDIPTRKGNNIUCJ-IACUBPJLSA-N 1 1 324.381 -1.124 20 0 DAADMO O=C(NCC[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1)C1CC1 ZINC001196963603 782120415 /nfs/dbraw/zinc/12/04/15/782120415.db2.gz XRFFENXHDXFHPF-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NCC[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1)C1CC1 ZINC001196963603 782120418 /nfs/dbraw/zinc/12/04/18/782120418.db2.gz XRFFENXHDXFHPF-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO COC(=O)c1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccn1 ZINC001197057224 782121846 /nfs/dbraw/zinc/12/18/46/782121846.db2.gz SPBPHUGEJIVEKK-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001197042118 782122485 /nfs/dbraw/zinc/12/24/85/782122485.db2.gz SVKISLRSDRUJLN-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001197058446 782122923 /nfs/dbraw/zinc/12/29/23/782122923.db2.gz UALNDHPCHUYYHB-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001197058446 782122926 /nfs/dbraw/zinc/12/29/26/782122926.db2.gz UALNDHPCHUYYHB-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(C3CCOCC3)c2)[C@@H]2NCN[C@H]21 ZINC001197126315 782126034 /nfs/dbraw/zinc/12/60/34/782126034.db2.gz IUDYPVZWYWWMCB-XQQFMLRXSA-N 1 1 321.385 -1.633 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001197155588 782126062 /nfs/dbraw/zinc/12/60/62/782126062.db2.gz LILLBSZHXYQUHR-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001197172729 782126716 /nfs/dbraw/zinc/12/67/16/782126716.db2.gz SQMYODIJZFCLDL-YNEHKIRRSA-N 1 1 324.385 -1.206 20 0 DAADMO CCN(CC[NH2+]Cc1cn(C)nn1)C(=O)CN1C(=O)CNC1=O ZINC001273737711 782125524 /nfs/dbraw/zinc/12/55/24/782125524.db2.gz JKBBYJIWZKEIPL-UHFFFAOYSA-N 1 1 323.357 -1.695 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197156230 782125623 /nfs/dbraw/zinc/12/56/23/782125623.db2.gz TZLABPMNZUBPNQ-VXGBXAGGSA-N 1 1 312.374 -1.351 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197154935 782125628 /nfs/dbraw/zinc/12/56/28/782125628.db2.gz IWDVNSNCDBQPPQ-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(C3CCOCC3)c2)[C@@H]2NCN[C@@H]21 ZINC001197126314 782125693 /nfs/dbraw/zinc/12/56/93/782125693.db2.gz IUDYPVZWYWWMCB-UPJWGTAASA-N 1 1 321.385 -1.633 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001197155605 782125805 /nfs/dbraw/zinc/12/58/05/782125805.db2.gz LZGQPKKXLZODRS-IJLUTSLNSA-N 1 1 310.358 -1.739 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)nn1 ZINC001197310592 782128699 /nfs/dbraw/zinc/12/86/99/782128699.db2.gz FTDUYJSUCVNCCS-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001197310592 782128703 /nfs/dbraw/zinc/12/87/03/782128703.db2.gz FTDUYJSUCVNCCS-ZYHUDNBSSA-N 1 1 313.358 -1.918 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230011 782128736 /nfs/dbraw/zinc/12/87/36/782128736.db2.gz NTSCWCYXYIFLFN-XLPZGREQSA-N 1 1 313.276 -1.793 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C1 ZINC001197230011 782128741 /nfs/dbraw/zinc/12/87/41/782128741.db2.gz NTSCWCYXYIFLFN-XLPZGREQSA-N 1 1 313.276 -1.793 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001197280802 782129131 /nfs/dbraw/zinc/12/91/31/782129131.db2.gz SUGBLEVNWXCPEO-YNEHKIRRSA-N 1 1 311.382 -1.290 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCCOC1 ZINC001197253509 782128330 /nfs/dbraw/zinc/12/83/30/782128330.db2.gz LFPKZDBAIUXCJJ-NFAWXSAZSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCCOC1 ZINC001197253509 782128335 /nfs/dbraw/zinc/12/83/35/782128335.db2.gz LFPKZDBAIUXCJJ-NFAWXSAZSA-N 1 1 316.398 -1.027 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)nn1 ZINC001197310734 782128602 /nfs/dbraw/zinc/12/86/02/782128602.db2.gz IOSGCGKYPPWOLM-CKYFFXLPSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)nn1 ZINC001197310734 782128605 /nfs/dbraw/zinc/12/86/05/782128605.db2.gz IOSGCGKYPPWOLM-CKYFFXLPSA-N 1 1 313.358 -1.920 20 0 DAADMO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCCO)C[C@H]2O)CC1 ZINC001197319718 782129295 /nfs/dbraw/zinc/12/92/95/782129295.db2.gz QFNZNNKOTRWOSU-ZIAGYGMSSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[N@H+](C[C@H](C)O)CC1 ZINC001197278106 782129649 /nfs/dbraw/zinc/12/96/49/782129649.db2.gz NKRIYGSYRNQQBQ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CCC[N@@H+](CCO)CC1)C(N)=O ZINC001197354573 782130319 /nfs/dbraw/zinc/13/03/19/782130319.db2.gz YFRGNZPQRWVXQV-NSHDSACASA-N 1 1 300.359 -2.107 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334636 782130541 /nfs/dbraw/zinc/13/05/41/782130541.db2.gz XHYSRSWOPULXDO-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197387426 782132004 /nfs/dbraw/zinc/13/20/04/782132004.db2.gz DEWYXBVVGOJYHV-GMTAPVOTSA-N 1 1 323.415 -2.190 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 ZINC001197374828 782132886 /nfs/dbraw/zinc/13/28/86/782132886.db2.gz PNKTXMNEXQBAIL-YUSALJHKSA-N 1 1 314.342 -1.911 20 0 DAADMO COC(=O)Nc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001197419004 782132353 /nfs/dbraw/zinc/13/23/53/782132353.db2.gz UKTFBJQMJURQFL-SDDRHHMPSA-N 1 1 320.353 -1.002 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197381518 782132863 /nfs/dbraw/zinc/13/28/63/782132863.db2.gz AZEAZZZJXPJWKH-GHMZBOCLSA-N 1 1 313.358 -2.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001197536439 782133665 /nfs/dbraw/zinc/13/36/65/782133665.db2.gz UEIMWUDETAWWFL-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197536028 782134563 /nfs/dbraw/zinc/13/45/63/782134563.db2.gz HQXXHCQUIONIIX-YNEHKIRRSA-N 1 1 314.430 -1.034 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O ZINC001197536678 782135239 /nfs/dbraw/zinc/13/52/39/782135239.db2.gz ZSMCNGHIRKQYMK-IJLUTSLNSA-N 1 1 300.403 -1.376 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197589107 782136396 /nfs/dbraw/zinc/13/63/96/782136396.db2.gz SKGATWSGPSQHQL-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO COCCOc1ncccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001197641669 782137166 /nfs/dbraw/zinc/13/71/66/782137166.db2.gz SDOXAVPWFBBPOL-WOPDTQHZSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1cccnc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001197697435 782138162 /nfs/dbraw/zinc/13/81/62/782138162.db2.gz TXJWGTBGHCMNAN-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1cccnc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001197697432 782138280 /nfs/dbraw/zinc/13/82/80/782138280.db2.gz TXJWGTBGHCMNAN-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-c3nnco3)cc2)[C@@H]2NCN[C@H]21 ZINC001197700495 782138455 /nfs/dbraw/zinc/13/84/55/782138455.db2.gz NODNLMFCMVZCRK-TUAOUCFPSA-N 1 1 315.337 -1.131 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001197672762 782138479 /nfs/dbraw/zinc/13/84/79/782138479.db2.gz FFXMNSAWRAVJLQ-OPRDCNLKSA-N 1 1 311.346 -2.641 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001197667219 782139310 /nfs/dbraw/zinc/13/93/10/782139310.db2.gz QCVGTKHLCWTQAH-QJPTWQEYSA-N 1 1 317.386 -1.799 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C1 ZINC001197812294 782140168 /nfs/dbraw/zinc/14/01/68/782140168.db2.gz LENSHNSALKTJTD-GMTAPVOTSA-N 1 1 316.402 -1.123 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cnc1=O ZINC001197715274 782140418 /nfs/dbraw/zinc/14/04/18/782140418.db2.gz TXXKJRBOJKJKRK-VWYCJHECSA-N 1 1 323.357 -2.978 20 0 DAADMO C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826473 782142822 /nfs/dbraw/zinc/14/28/22/782142822.db2.gz YPGUJMBWXFRHAC-BFHYXJOUSA-N 1 1 317.430 -1.113 20 0 DAADMO CCOCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826374 782142898 /nfs/dbraw/zinc/14/28/98/782142898.db2.gz UKKVTTXYVDWQGE-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CC(C)NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197926291 782145237 /nfs/dbraw/zinc/14/52/37/782145237.db2.gz KBOZPSJHFUOHDY-VXGBXAGGSA-N 1 1 301.387 -1.165 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001198003808 782143663 /nfs/dbraw/zinc/14/36/63/782143663.db2.gz HPODXPFWOAHZKL-IJLUTSLNSA-N 1 1 300.403 -1.247 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001198004139 782144139 /nfs/dbraw/zinc/14/41/39/782144139.db2.gz WCNCUDNLTPRXOB-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947992 782145184 /nfs/dbraw/zinc/14/51/84/782145184.db2.gz BQGYCJMPYHSOGN-BFHYXJOUSA-N 1 1 317.430 -1.113 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001198004190 782144601 /nfs/dbraw/zinc/14/46/01/782144601.db2.gz YPASABPNXQKGJR-CHWSQXEVSA-N 1 1 324.381 -1.250 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001198001786 782144902 /nfs/dbraw/zinc/14/49/02/782144902.db2.gz GECCSKAXXYKUCX-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccnc2OCC2CC2)[C@H]2NCN[C@H]21 ZINC001198024727 782145851 /nfs/dbraw/zinc/14/58/51/782145851.db2.gz SPHWPKXHXLMRID-MVWJERBFSA-N 1 1 319.369 -1.602 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001198020009 782146270 /nfs/dbraw/zinc/14/62/70/782146270.db2.gz FMEGATHVVMFMQY-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001197983442 782146466 /nfs/dbraw/zinc/14/64/66/782146466.db2.gz AFFNYGCNZSXODP-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001198029649 782147619 /nfs/dbraw/zinc/14/76/19/782147619.db2.gz TUQBTSBRGAGUJA-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001198029649 782147625 /nfs/dbraw/zinc/14/76/25/782147625.db2.gz TUQBTSBRGAGUJA-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001198046810 782147712 /nfs/dbraw/zinc/14/77/12/782147712.db2.gz FMVXVNRKSSUAPV-YNEHKIRRSA-N 1 1 314.430 -1.034 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001198065237 782149321 /nfs/dbraw/zinc/14/93/21/782149321.db2.gz NUYLLLJLBLHADJ-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001198065237 782149323 /nfs/dbraw/zinc/14/93/23/782149323.db2.gz NUYLLLJLBLHADJ-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065440 782149527 /nfs/dbraw/zinc/14/95/27/782149527.db2.gz UDLSWSXWDVWORB-NSHDSACASA-N 1 1 302.375 -1.414 20 0 DAADMO COCCn1nc(C)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001198101779 782149598 /nfs/dbraw/zinc/14/95/98/782149598.db2.gz REEKZUVVDGGCCU-SDDRHHMPSA-N 1 1 309.374 -2.029 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCCN(CC(=O)NC(N)=O)CC1 ZINC001198105676 782149738 /nfs/dbraw/zinc/14/97/38/782149738.db2.gz KYLQJOHTXSASIF-UHFFFAOYSA-N 1 1 322.369 -1.079 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cc[nH]c23)C1 ZINC001198126330 782150085 /nfs/dbraw/zinc/15/00/85/782150085.db2.gz HVTUTLMWFORRIP-YUSALJHKSA-N 1 1 323.353 -1.555 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001198151261 782148828 /nfs/dbraw/zinc/14/88/28/782148828.db2.gz KXMPUBTXYWDOPA-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2ccccn2)[C@@H]2NCN[C@H]21 ZINC001198200909 782151752 /nfs/dbraw/zinc/15/17/52/782151752.db2.gz SUKVYRQWYITTGE-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2ccccn2)[C@@H]2NCN[C@@H]21 ZINC001198200908 782152097 /nfs/dbraw/zinc/15/20/97/782152097.db2.gz SUKVYRQWYITTGE-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236810 782153581 /nfs/dbraw/zinc/15/35/81/782153581.db2.gz ZGXONFJSOIWILL-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255049 782154171 /nfs/dbraw/zinc/15/41/71/782154171.db2.gz KPKKYDVVZRGHJH-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198255049 782154174 /nfs/dbraw/zinc/15/41/74/782154174.db2.gz KPKKYDVVZRGHJH-NXEZZACHSA-N 1 1 309.388 -2.315 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC(N)=O ZINC001152443871 782154361 /nfs/dbraw/zinc/15/43/61/782154361.db2.gz FPSYDXLRIYLSPB-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC(N)=O ZINC001152443871 782154364 /nfs/dbraw/zinc/15/43/64/782154364.db2.gz FPSYDXLRIYLSPB-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001198489226 782155766 /nfs/dbraw/zinc/15/57/66/782155766.db2.gz BJUXOGXZFAKESJ-IJLUTSLNSA-N 1 1 314.386 -1.225 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489480 782155752 /nfs/dbraw/zinc/15/57/52/782155752.db2.gz HDPMHGAHOWRZBW-OPRDCNLKSA-N 1 1 304.347 -2.787 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001198489252 782155531 /nfs/dbraw/zinc/15/55/31/782155531.db2.gz BYFSKUCDGXRAAG-IJLUTSLNSA-N 1 1 314.386 -1.367 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198499897 782155829 /nfs/dbraw/zinc/15/58/29/782155829.db2.gz DBJAASBZXZPYML-OPRDCNLKSA-N 1 1 314.342 -2.218 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490055 782156340 /nfs/dbraw/zinc/15/63/40/782156340.db2.gz QPPLXIAYNWUIJJ-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001198489584 782156491 /nfs/dbraw/zinc/15/64/91/782156491.db2.gz JJSNBAFCUOLQEG-VXGBXAGGSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198489213 782156788 /nfs/dbraw/zinc/15/67/88/782156788.db2.gz AVWOQGJBHDMUPR-NXEZZACHSA-N 1 1 304.347 -2.785 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198508210 782157942 /nfs/dbraw/zinc/15/79/42/782157942.db2.gz POQOINSOMGGJHT-OPRDCNLKSA-N 1 1 314.342 -2.482 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001198473749 782158600 /nfs/dbraw/zinc/15/86/00/782158600.db2.gz JVHLFCNRSXFCTH-GHMZBOCLSA-N 1 1 310.358 -1.897 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001198474139 782158639 /nfs/dbraw/zinc/15/86/39/782158639.db2.gz PNUKEZZHIBAXMO-QJPTWQEYSA-N 1 1 314.386 -1.367 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198699683 782159234 /nfs/dbraw/zinc/15/92/34/782159234.db2.gz WSHCYDSBDFEQLO-BFHYXJOUSA-N 1 1 315.414 -1.502 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198699683 782159242 /nfs/dbraw/zinc/15/92/42/782159242.db2.gz WSHCYDSBDFEQLO-BFHYXJOUSA-N 1 1 315.414 -1.502 20 0 DAADMO COCCn1c(=O)cccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001198702873 782160427 /nfs/dbraw/zinc/16/04/27/782160427.db2.gz RXFOAMLPZFBOIA-RWMBFGLXSA-N 1 1 322.369 -2.373 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001198736469 782161514 /nfs/dbraw/zinc/16/15/14/782161514.db2.gz TYKMTCANGMNJDZ-QJPTWQEYSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1)OC ZINC001198721774 782161699 /nfs/dbraw/zinc/16/16/99/782161699.db2.gz BVXGQABFOOPLJB-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672908 782162032 /nfs/dbraw/zinc/16/20/32/782162032.db2.gz SXYYGBYORBXBMF-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH+]1CCSCC1 ZINC000264836019 519651347 /nfs/dbraw/zinc/65/13/47/519651347.db2.gz VQNKZCIWEGEPTA-UHFFFAOYSA-N 1 1 302.400 -1.596 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@H]1O ZINC001198721883 782162199 /nfs/dbraw/zinc/16/21/99/782162199.db2.gz GBFJUPPCKBNMRH-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@H]1O ZINC001198721883 782162204 /nfs/dbraw/zinc/16/22/04/782162204.db2.gz GBFJUPPCKBNMRH-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339484040 520155180 /nfs/dbraw/zinc/15/51/80/520155180.db2.gz LELGFPBXABYBQO-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CC[N@@H+](C)CCNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000264908811 520226057 /nfs/dbraw/zinc/22/60/57/520226057.db2.gz MZUCJSBLSATSTQ-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001198705905 782162322 /nfs/dbraw/zinc/16/23/22/782162322.db2.gz ASKFZLCIOLZIRX-GMTAPVOTSA-N 1 1 321.399 -2.124 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364810001 522198499 /nfs/dbraw/zinc/19/84/99/522198499.db2.gz VNOLWFPPVDMABX-GHMZBOCLSA-N 1 1 320.415 -1.302 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000365695389 522231646 /nfs/dbraw/zinc/23/16/46/522231646.db2.gz JGKSJZZRSOZSNE-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000365695389 522231654 /nfs/dbraw/zinc/23/16/54/522231654.db2.gz JGKSJZZRSOZSNE-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000365695390 522243815 /nfs/dbraw/zinc/24/38/15/522243815.db2.gz JGKSJZZRSOZSNE-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000365695390 522243822 /nfs/dbraw/zinc/24/38/22/522243822.db2.gz JGKSJZZRSOZSNE-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000365695391 522246815 /nfs/dbraw/zinc/24/68/15/522246815.db2.gz JGKSJZZRSOZSNE-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000365695391 522246818 /nfs/dbraw/zinc/24/68/18/522246818.db2.gz JGKSJZZRSOZSNE-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000246238416 522535201 /nfs/dbraw/zinc/53/52/01/522535201.db2.gz GDLKPPDFBWXJTN-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c(=O)n(C)c1=O ZINC000246238416 522535213 /nfs/dbraw/zinc/53/52/13/522535213.db2.gz GDLKPPDFBWXJTN-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O ZINC001198761741 782162899 /nfs/dbraw/zinc/16/28/99/782162899.db2.gz MDEJXGNNPFCHOJ-GHMZBOCLSA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001198761741 782162903 /nfs/dbraw/zinc/16/29/03/782162903.db2.gz MDEJXGNNPFCHOJ-GHMZBOCLSA-N 1 1 323.415 -1.878 20 0 DAADMO COC[C@H](O)CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000338454044 522793793 /nfs/dbraw/zinc/79/37/93/522793793.db2.gz CTFZPKPUTGXRAH-VXGBXAGGSA-N 1 1 316.402 -1.120 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+](C)CCOCCO)cn1 ZINC000336831539 522870362 /nfs/dbraw/zinc/87/03/62/522870362.db2.gz QDAUHCIAHKUQOR-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCOCCO)cn1 ZINC000336831539 522870372 /nfs/dbraw/zinc/87/03/72/522870372.db2.gz QDAUHCIAHKUQOR-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(CC3CC3)c(=O)c2)[C@H]2NCN[C@@H]21 ZINC001198780318 782162980 /nfs/dbraw/zinc/16/29/80/782162980.db2.gz AUCYUEWNDXSYAW-MGPQQGTHSA-N 1 1 318.381 -1.609 20 0 DAADMO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000336861314 523019925 /nfs/dbraw/zinc/01/99/25/523019925.db2.gz ZFQSFTAWZVPKHH-GASCZTMLSA-N 1 1 317.430 -1.696 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(CC3CC3)c(=O)c2)[C@H]2NCN[C@H]21 ZINC001198780314 782163040 /nfs/dbraw/zinc/16/30/40/782163040.db2.gz AUCYUEWNDXSYAW-BFHYXJOUSA-N 1 1 318.381 -1.609 20 0 DAADMO CC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@H](C)O ZINC000245520591 523391429 /nfs/dbraw/zinc/39/14/29/523391429.db2.gz JSXHUSCNBBESHK-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000265072862 523576124 /nfs/dbraw/zinc/57/61/24/523576124.db2.gz VWKGVNWBBZQEKC-UHFFFAOYSA-N 1 1 314.342 -1.509 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000339312141 523584924 /nfs/dbraw/zinc/58/49/24/523584924.db2.gz ZRKIJUJINKLXAX-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)NCCN1C(=O)CNC1=O ZINC000265078309 523591683 /nfs/dbraw/zinc/59/16/83/523591683.db2.gz POMIRFCOHSVAJW-UHFFFAOYSA-N 1 1 301.347 -1.584 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000339245961 523599730 /nfs/dbraw/zinc/59/97/30/523599730.db2.gz LSDSDNQYEJNEEB-UHFFFAOYSA-N 1 1 312.374 -1.326 20 0 DAADMO COCC[N@H+](CCO)CCNS(=O)(=O)c1cnn(C)c1 ZINC000336827378 523705439 /nfs/dbraw/zinc/70/54/39/523705439.db2.gz HSXGDKJAFVWDLF-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO COCC[N@@H+](CCO)CCNS(=O)(=O)c1cnn(C)c1 ZINC000336827378 523705447 /nfs/dbraw/zinc/70/54/47/523705447.db2.gz HSXGDKJAFVWDLF-UHFFFAOYSA-N 1 1 306.388 -1.361 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(CC3CC3)c(=O)c2)[C@@H]2NCN[C@@H]21 ZINC001198780316 782163142 /nfs/dbraw/zinc/16/31/42/782163142.db2.gz AUCYUEWNDXSYAW-MCIONIFRSA-N 1 1 318.381 -1.609 20 0 DAADMO CN(C)C(=O)C[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000263831792 523984599 /nfs/dbraw/zinc/98/45/99/523984599.db2.gz BNUXMYQFICNBLW-UHFFFAOYSA-N 1 1 322.369 -1.546 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000263831792 523984603 /nfs/dbraw/zinc/98/46/03/523984603.db2.gz BNUXMYQFICNBLW-UHFFFAOYSA-N 1 1 322.369 -1.546 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000157388402 523987691 /nfs/dbraw/zinc/98/76/91/523987691.db2.gz ZYPDEVFUJLWBAX-CYBMUJFWSA-N 1 1 312.414 -1.467 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000337235093 524077235 /nfs/dbraw/zinc/07/72/35/524077235.db2.gz BPJRCVJFNYOIQX-VIFPVBQESA-N 1 1 321.403 -1.663 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000339314398 524367586 /nfs/dbraw/zinc/36/75/86/524367586.db2.gz GMDWMQCLEQGMQG-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCC1=O ZINC001198835072 782163876 /nfs/dbraw/zinc/16/38/76/782163876.db2.gz MMPHNMAFPLLLGS-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(=O)n(CC3CC3)c2)[C@@H]2NCN[C@@H]21 ZINC001198920756 782164992 /nfs/dbraw/zinc/16/49/92/782164992.db2.gz CIUBJZCXCOICOS-MCIONIFRSA-N 1 1 318.381 -1.609 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1=O ZINC001198839532 782164978 /nfs/dbraw/zinc/16/49/78/782164978.db2.gz HJHCSDJKZVLVNP-RWMBFGLXSA-N 1 1 322.369 -2.373 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198983052 782166734 /nfs/dbraw/zinc/16/67/34/782166734.db2.gz RLKJHAOYADGAIZ-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CC[N@H+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000286568923 535668122 /nfs/dbraw/zinc/66/81/22/535668122.db2.gz PMBRMOWIBGLCFF-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC(CO)C2)CC1 ZINC000340236147 536403325 /nfs/dbraw/zinc/40/33/25/536403325.db2.gz NZDGDLGUKGWIKS-UHFFFAOYSA-N 1 1 312.370 -2.283 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](CO)C1 ZINC000340576597 536779868 /nfs/dbraw/zinc/77/98/68/536779868.db2.gz NIGQJEJZMXKPGV-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000340569600 536780108 /nfs/dbraw/zinc/78/01/08/536780108.db2.gz CKSWJTFJRWCZAJ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000340577264 536782702 /nfs/dbraw/zinc/78/27/02/536782702.db2.gz VFHVOILQMRUPKI-GFCCVEGCSA-N 1 1 317.386 -1.398 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccnn2C)C1 ZINC000340484372 536875545 /nfs/dbraw/zinc/87/55/45/536875545.db2.gz JSWCFXPFKXVAPM-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000668360309 545644655 /nfs/dbraw/zinc/64/46/55/545644655.db2.gz YQNAOFZIWPCSQG-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000441717445 545641621 /nfs/dbraw/zinc/64/16/21/545641621.db2.gz LICWNUWCSPWKBX-OUAUKWLOSA-N 1 1 322.369 -1.005 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2nnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000441717445 545641622 /nfs/dbraw/zinc/64/16/22/545641622.db2.gz LICWNUWCSPWKBX-OUAUKWLOSA-N 1 1 322.369 -1.005 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303611 545641754 /nfs/dbraw/zinc/64/17/54/545641754.db2.gz FVCGBIKUGKFERJ-DCAQKATOSA-N 1 1 300.359 -1.399 20 0 DAADMO C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303611 545641756 /nfs/dbraw/zinc/64/17/56/545641756.db2.gz FVCGBIKUGKFERJ-DCAQKATOSA-N 1 1 300.359 -1.399 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370774553 545641992 /nfs/dbraw/zinc/64/19/92/545641992.db2.gz QCLOHEHDVVDSPH-ISVAXAHUSA-N 1 1 311.342 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370774553 545641998 /nfs/dbraw/zinc/64/19/98/545641998.db2.gz QCLOHEHDVVDSPH-ISVAXAHUSA-N 1 1 311.342 -1.153 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668261986 545642101 /nfs/dbraw/zinc/64/21/01/545642101.db2.gz DDOWEHSURWTAPR-AAVRWANBSA-N 1 1 314.382 -1.374 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000072814476 545642643 /nfs/dbraw/zinc/64/26/43/545642643.db2.gz UWQXPEZENWZCTR-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000072814476 545642646 /nfs/dbraw/zinc/64/26/46/545642646.db2.gz UWQXPEZENWZCTR-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H](CNC(=O)[C@H](CO)NC(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242650 545642976 /nfs/dbraw/zinc/64/29/76/545642976.db2.gz CQXBQQDAMZXBFR-MMWGEVLESA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@@H](CNC(=O)[C@H](CO)NC(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655242650 545642980 /nfs/dbraw/zinc/64/29/80/545642980.db2.gz CQXBQQDAMZXBFR-MMWGEVLESA-N 1 1 302.375 -1.371 20 0 DAADMO C[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)S(C)(=O)=O ZINC000650303248 545649105 /nfs/dbraw/zinc/64/91/05/545649105.db2.gz SKCMEKFLMIHDFL-SNVBAGLBSA-N 1 1 305.400 -1.348 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000444410647 545655224 /nfs/dbraw/zinc/65/52/24/545655224.db2.gz JNKYEGSIXNEXND-OAHLLOKOSA-N 1 1 317.430 -1.694 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000444410637 545655668 /nfs/dbraw/zinc/65/56/68/545655668.db2.gz JNKYEGSIXNEXND-HNNXBMFYSA-N 1 1 317.430 -1.694 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC000672004132 545656878 /nfs/dbraw/zinc/65/68/78/545656878.db2.gz URGYYBKBOZMEQS-UHFFFAOYSA-N 1 1 309.370 -1.011 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH+]1CCSCC1 ZINC000668644624 545657325 /nfs/dbraw/zinc/65/73/25/545657325.db2.gz CUTZEFNJXOZQFM-UHFFFAOYSA-N 1 1 310.445 -1.453 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000648330048 545664284 /nfs/dbraw/zinc/66/42/84/545664284.db2.gz LGRCUAVTANUEFC-GARJFASQSA-N 1 1 305.400 -1.144 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCN(C)S1(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000648330048 545664285 /nfs/dbraw/zinc/66/42/85/545664285.db2.gz LGRCUAVTANUEFC-GARJFASQSA-N 1 1 305.400 -1.144 20 0 DAADMO CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104451 782168965 /nfs/dbraw/zinc/16/89/65/782168965.db2.gz MPPOLNAUKXGASC-VXGBXAGGSA-N 1 1 300.403 -1.376 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000651012354 545675988 /nfs/dbraw/zinc/67/59/88/545675988.db2.gz OPGWSPJKVBWQGH-LLVKDONJSA-N 1 1 322.369 -1.300 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714617 545676759 /nfs/dbraw/zinc/67/67/59/545676759.db2.gz OPHZOZGDXVPTCC-IMSYWVGJSA-N 1 1 322.365 -1.593 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644714617 545676765 /nfs/dbraw/zinc/67/67/65/545676765.db2.gz OPHZOZGDXVPTCC-IMSYWVGJSA-N 1 1 322.365 -1.593 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCCC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000644710008 545677040 /nfs/dbraw/zinc/67/70/40/545677040.db2.gz DGLFTYWRRZETOX-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408049191 545678271 /nfs/dbraw/zinc/67/82/71/545678271.db2.gz WOAIJAWCKAISOB-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408049191 545678278 /nfs/dbraw/zinc/67/82/78/545678278.db2.gz WOAIJAWCKAISOB-CQSZACIVSA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(NCCN1CCNC(=O)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651021789 545678634 /nfs/dbraw/zinc/67/86/34/545678634.db2.gz OKRUVIYDCPONRV-GFCCVEGCSA-N 1 1 311.386 -2.121 20 0 DAADMO O=C(NCCN1CCNC(=O)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651021789 545678642 /nfs/dbraw/zinc/67/86/42/545678642.db2.gz OKRUVIYDCPONRV-GFCCVEGCSA-N 1 1 311.386 -2.121 20 0 DAADMO C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668891816 545678713 /nfs/dbraw/zinc/67/87/13/545678713.db2.gz CZRMCECTYJCWAW-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651028877 545679082 /nfs/dbraw/zinc/67/90/82/545679082.db2.gz BWQABZWUKMRFFZ-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000602902530 545681340 /nfs/dbraw/zinc/68/13/40/545681340.db2.gz CLAZTKGIYBGNKW-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000602902530 545681350 /nfs/dbraw/zinc/68/13/50/545681350.db2.gz CLAZTKGIYBGNKW-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO CCN(C#N)CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000602791597 545681385 /nfs/dbraw/zinc/68/13/85/545681385.db2.gz WLQJFDIUACSYMT-CHWSQXEVSA-N 1 1 316.427 -1.123 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC000602970081 545682792 /nfs/dbraw/zinc/68/27/92/545682792.db2.gz RJFSOHFAEMFRNO-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000671817227 545690116 /nfs/dbraw/zinc/69/01/16/545690116.db2.gz FTBRAEXGTFHMFM-JSGCOSHPSA-N 1 1 322.409 -1.118 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000331296680 545705150 /nfs/dbraw/zinc/70/51/50/545705150.db2.gz TYBLHZGXTDTWOC-VXGBXAGGSA-N 1 1 301.387 -1.259 20 0 DAADMO CCOC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000331298640 545704336 /nfs/dbraw/zinc/70/43/36/545704336.db2.gz PKHMBOOXULDPMN-TXEJJXNPSA-N 1 1 300.355 -1.175 20 0 DAADMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000331298640 545704342 /nfs/dbraw/zinc/70/43/42/545704342.db2.gz PKHMBOOXULDPMN-TXEJJXNPSA-N 1 1 300.355 -1.175 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648053 545705037 /nfs/dbraw/zinc/70/50/37/545705037.db2.gz XMJFPYMKKPNDGG-WHOHXGKFSA-N 1 1 306.384 -1.519 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655648053 545705043 /nfs/dbraw/zinc/70/50/43/545705043.db2.gz XMJFPYMKKPNDGG-WHOHXGKFSA-N 1 1 306.384 -1.519 20 0 DAADMO CC[N@H+](CCCO)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000343702479 545706970 /nfs/dbraw/zinc/70/69/70/545706970.db2.gz FDECAYOHESVGCE-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO CC[N@@H+](CCCO)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000343702479 545706982 /nfs/dbraw/zinc/70/69/82/545706982.db2.gz FDECAYOHESVGCE-VIFPVBQESA-N 1 1 312.370 -1.058 20 0 DAADMO COC(=O)C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)OC ZINC000343540413 545707658 /nfs/dbraw/zinc/70/76/58/545707658.db2.gz KLCCYYLXNXXOIP-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)C1 ZINC000343892950 545708569 /nfs/dbraw/zinc/70/85/69/545708569.db2.gz QGWAWIQPMWAHIR-SNVBAGLBSA-N 1 1 323.340 -1.091 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000343891698 545709183 /nfs/dbraw/zinc/70/91/83/545709183.db2.gz NYFGCNKLDONMMC-QWRGUYRKSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1CCOCC1=O ZINC000344432740 545713308 /nfs/dbraw/zinc/71/33/08/545713308.db2.gz NMQVDBKLHQXYML-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000347142429 545715216 /nfs/dbraw/zinc/71/52/16/545715216.db2.gz AFKFBZAVXXXXTQ-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCN1CCNC(=O)C1 ZINC000347450665 545717296 /nfs/dbraw/zinc/71/72/96/545717296.db2.gz SUCIYGMVKNNUGO-UHFFFAOYSA-N 1 1 301.391 -1.968 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347330485 545717629 /nfs/dbraw/zinc/71/76/29/545717629.db2.gz JDZRHXAWZFVKSS-MXWKQRLJSA-N 1 1 303.359 -1.335 20 0 DAADMO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347330485 545717632 /nfs/dbraw/zinc/71/76/32/545717632.db2.gz JDZRHXAWZFVKSS-MXWKQRLJSA-N 1 1 303.359 -1.335 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329544425 545721375 /nfs/dbraw/zinc/72/13/75/545721375.db2.gz GAFUIUDVXDSHTO-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329909774 545722749 /nfs/dbraw/zinc/72/27/49/545722749.db2.gz MTTJJZIDSOXRMC-IUCAKERBSA-N 1 1 320.353 -1.108 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000331392546 545723899 /nfs/dbraw/zinc/72/38/99/545723899.db2.gz MSGLUOOZJLUZRK-NTZNESFSSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](CO)C2)C[N@H+]1C1CC1 ZINC000331392548 545723920 /nfs/dbraw/zinc/72/39/20/545723920.db2.gz MSGLUOOZJLUZRK-WZRBSPASSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000331437923 545724863 /nfs/dbraw/zinc/72/48/63/545724863.db2.gz SBLDSLCVHWRDDT-CKYFFXLPSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H]1C[C@@H](O)C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331696493 545726242 /nfs/dbraw/zinc/72/62/42/545726242.db2.gz ADUDZFXWLYGFAH-NXEZZACHSA-N 1 1 307.354 -1.111 20 0 DAADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000331644215 545727032 /nfs/dbraw/zinc/72/70/32/545727032.db2.gz JCZCUGUPBWMQAF-KGLIPLIRSA-N 1 1 324.425 -1.061 20 0 DAADMO CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000331702440 545727634 /nfs/dbraw/zinc/72/76/34/545727634.db2.gz FXAVBJBWPFFTLK-MCIONIFRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[C@H](O)C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331696496 545727714 /nfs/dbraw/zinc/72/77/14/545727714.db2.gz ADUDZFXWLYGFAH-ZJUUUORDSA-N 1 1 307.354 -1.111 20 0 DAADMO CCN(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331958066 545729157 /nfs/dbraw/zinc/72/91/57/545729157.db2.gz LNDQMUMUYAPLAZ-UHFFFAOYSA-N 1 1 318.399 -2.090 20 0 DAADMO CN1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000332094378 545729888 /nfs/dbraw/zinc/72/98/88/545729888.db2.gz OQFPJKLADCHYDZ-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000532708692 545731349 /nfs/dbraw/zinc/73/13/49/545731349.db2.gz WGDVXWSAFKBVFN-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000532708692 545731359 /nfs/dbraw/zinc/73/13/59/545731359.db2.gz WGDVXWSAFKBVFN-SNVBAGLBSA-N 1 1 313.445 -1.061 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000332182803 545731588 /nfs/dbraw/zinc/73/15/88/545731588.db2.gz XBQAEGVOKKLAME-LBPRGKRZSA-N 1 1 319.427 -1.113 20 0 DAADMO C[NH+]1CCN(c2ncc(CN3CCO[C@H](C(N)=O)C3)cn2)CC1 ZINC000352926752 545733959 /nfs/dbraw/zinc/73/39/59/545733959.db2.gz WZZYFHYPCYVJRU-ZDUSSCGKSA-N 1 1 320.397 -1.086 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000357986416 545739345 /nfs/dbraw/zinc/73/93/45/545739345.db2.gz ZRVSEYGJAHAYGS-ZDUSSCGKSA-N 1 1 321.381 -1.149 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000358052557 545740139 /nfs/dbraw/zinc/74/01/39/545740139.db2.gz FTQIVTWPVINWKW-GJZGRUSLSA-N 1 1 324.381 -1.110 20 0 DAADMO CS(=O)(=O)NCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362400715 545743393 /nfs/dbraw/zinc/74/33/93/545743393.db2.gz IGTNXJIZLXXTMQ-LLVKDONJSA-N 1 1 304.416 -1.568 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362661479 545743521 /nfs/dbraw/zinc/74/35/21/545743521.db2.gz FGXPXUBGRFFYSH-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362650110 545743949 /nfs/dbraw/zinc/74/39/49/545743949.db2.gz SVWYVALPDXGLCK-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362648176 545745108 /nfs/dbraw/zinc/74/51/08/545745108.db2.gz HNHHDDKTYLKYNX-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)c(=O)[nH]c1=O ZINC000367990274 545749388 /nfs/dbraw/zinc/74/93/88/545749388.db2.gz VBHRCXNVTRVMGB-MRVPVSSYSA-N 1 1 323.353 -1.069 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)c(=O)[nH]c1=O ZINC000367990274 545749391 /nfs/dbraw/zinc/74/93/91/545749391.db2.gz VBHRCXNVTRVMGB-MRVPVSSYSA-N 1 1 323.353 -1.069 20 0 DAADMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000368737253 545752033 /nfs/dbraw/zinc/75/20/33/545752033.db2.gz LWNLJHXHAUCBIR-HNNXBMFYSA-N 1 1 324.381 -1.157 20 0 DAADMO COC(=O)c1cn(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)nn1 ZINC000375953955 545754825 /nfs/dbraw/zinc/75/48/25/545754825.db2.gz LYKYYTOJMXMGFZ-LBPRGKRZSA-N 1 1 322.369 -1.429 20 0 DAADMO O=C(CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)N1CCOCC1 ZINC000376798144 545756753 /nfs/dbraw/zinc/75/67/53/545756753.db2.gz DAPHFBZWOHKOQV-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671163573 545758847 /nfs/dbraw/zinc/75/88/47/545758847.db2.gz OGHCLDAYHRTDEJ-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])C1 ZINC000418925386 545764949 /nfs/dbraw/zinc/76/49/49/545764949.db2.gz QENUMELLJUFEHW-LBPRGKRZSA-N 1 1 300.403 -1.124 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419349662 545766352 /nfs/dbraw/zinc/76/63/52/545766352.db2.gz DPGLDGOLRGJGAP-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO CCO[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034537 545775565 /nfs/dbraw/zinc/77/55/65/545775565.db2.gz AUFZWWDRXBFXIJ-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n(CC(C)C)n1 ZINC001199094166 782168978 /nfs/dbraw/zinc/16/89/78/782168978.db2.gz PXNWLYNXUICGTA-FRRDWIJNSA-N 1 1 307.402 -1.020 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](O)C2)CC1 ZINC000459820096 545784431 /nfs/dbraw/zinc/78/44/31/545784431.db2.gz VFEZJPOSBRSQCK-LBPRGKRZSA-N 1 1 313.398 -1.115 20 0 DAADMO CC(C)[NH+]1CC(NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000457711473 545784583 /nfs/dbraw/zinc/78/45/83/545784583.db2.gz BDWUUSYTJKEECM-UHFFFAOYSA-N 1 1 315.399 -1.093 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(C)CCO)CC[N@@H+]1CC(C)(C)O ZINC000459813217 545786001 /nfs/dbraw/zinc/78/60/01/545786001.db2.gz LNAKXKQJZWYSQS-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N(C)CCO)CC[N@H+]1CC(C)(C)O ZINC000459813217 545786009 /nfs/dbraw/zinc/78/60/09/545786009.db2.gz LNAKXKQJZWYSQS-LLVKDONJSA-N 1 1 301.387 -1.259 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N(CCO)C2CC2)CC1 ZINC000459950832 545788437 /nfs/dbraw/zinc/78/84/37/545788437.db2.gz MCIFIJVTLDQULE-UHFFFAOYSA-N 1 1 313.398 -1.115 20 0 DAADMO COCCN1C[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000405395390 545797806 /nfs/dbraw/zinc/79/78/06/545797806.db2.gz IEMFSLRCWRBZAF-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO C[NH+](C)CCn1ccc(=NC(=O)c2nc3n(n2)CCCN3)[nH]1 ZINC000649313235 545800013 /nfs/dbraw/zinc/80/00/13/545800013.db2.gz QITFZZUMTQXQDS-UHFFFAOYSA-N 1 1 304.358 -1.217 20 0 DAADMO COCC[N@H+]1CCN(CC(=O)N2CCNC(=O)C2)C(C)(C)C1 ZINC000649848577 545806025 /nfs/dbraw/zinc/80/60/25/545806025.db2.gz WDQMBOCYBKWPNE-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000649742594 545806068 /nfs/dbraw/zinc/80/60/68/545806068.db2.gz KZFSMDYKAHJNIU-WDEREUQCSA-N 1 1 318.399 -1.220 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000656019597 545809877 /nfs/dbraw/zinc/80/98/77/545809877.db2.gz HCGJACPQIWQMBF-ZOBORPQBSA-N 1 1 324.425 -1.232 20 0 DAADMO CC1(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000656023390 545810895 /nfs/dbraw/zinc/81/08/95/545810895.db2.gz ALRKGHOIPPWPRV-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023132 545811429 /nfs/dbraw/zinc/81/14/29/545811429.db2.gz WGXGGGITNCEVIV-IGQOVBAYSA-N 1 1 324.425 -1.103 20 0 DAADMO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023042 545811690 /nfs/dbraw/zinc/81/16/90/545811690.db2.gz SHDDHTTYNHOLEQ-FRRDWIJNSA-N 1 1 312.414 -1.247 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)CO1 ZINC000656064534 545813497 /nfs/dbraw/zinc/81/34/97/545813497.db2.gz XTGHTWPFGIPHIW-QNWHQSFQSA-N 1 1 311.382 -1.100 20 0 DAADMO C[C@@H]1OCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1C ZINC000656072363 545813598 /nfs/dbraw/zinc/81/35/98/545813598.db2.gz LXVXCAQFLUBGKT-ZDEQEGDKSA-N 1 1 311.382 -1.100 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C2CC2)CC1 ZINC000656062594 545813687 /nfs/dbraw/zinc/81/36/87/545813687.db2.gz KHDNWUUVWDTIIJ-UONOGXRCSA-N 1 1 322.409 -1.430 20 0 DAADMO CCN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656059044 545813765 /nfs/dbraw/zinc/81/37/65/545813765.db2.gz OUIQIMACNFPGND-QWHCGFSZSA-N 1 1 310.398 -1.572 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656090047 545814576 /nfs/dbraw/zinc/81/45/76/545814576.db2.gz XCUZWZNUMPWGAE-RQJABVFESA-N 1 1 322.409 -1.574 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656090047 545814585 /nfs/dbraw/zinc/81/45/85/545814585.db2.gz XCUZWZNUMPWGAE-RQJABVFESA-N 1 1 322.409 -1.574 20 0 DAADMO O=C(C(=O)N1CCOC[C@@H]1C1CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076213 545814930 /nfs/dbraw/zinc/81/49/30/545814930.db2.gz GEPSPEWPCCNYIO-BFHYXJOUSA-N 1 1 323.393 -1.099 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H]1CO ZINC000656077268 545815052 /nfs/dbraw/zinc/81/50/52/545815052.db2.gz MSEFXMUUHDUVTH-RVMXOQNASA-N 1 1 311.382 -1.507 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N(CCO)C1CCC1 ZINC000656080652 545815167 /nfs/dbraw/zinc/81/51/67/545815167.db2.gz DCXRSEHPHAGLNI-QWHCGFSZSA-N 1 1 311.382 -1.363 20 0 DAADMO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656105156 545815297 /nfs/dbraw/zinc/81/52/97/545815297.db2.gz YNYMBHJXCVIYRR-FQUUOJAGSA-N 1 1 324.425 -1.008 20 0 DAADMO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656105161 545815482 /nfs/dbraw/zinc/81/54/82/545815482.db2.gz YNYMBHJXCVIYRR-XJFOESAGSA-N 1 1 324.425 -1.008 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)N1C ZINC000656087243 545815807 /nfs/dbraw/zinc/81/58/07/545815807.db2.gz ATZXRAUCEVGXGE-RFQIPJPRSA-N 1 1 324.425 -1.185 20 0 DAADMO O=C(NCc1ccncc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656281335 545816738 /nfs/dbraw/zinc/81/67/38/545816738.db2.gz CAVBKBGTGIIPQK-QWHCGFSZSA-N 1 1 304.350 -1.025 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000656103985 545816763 /nfs/dbraw/zinc/81/67/63/545816763.db2.gz FCMVRXNPVBHMLW-WOSRLPQWSA-N 1 1 322.409 -1.524 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCOC[C@@H]2C(N)=O)C[C@H](C)O1 ZINC000354824052 545816841 /nfs/dbraw/zinc/81/68/41/545816841.db2.gz AFQPNIUGVOZFHN-QNWHQSFQSA-N 1 1 301.387 -1.357 20 0 DAADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCOC[C@@H]2C(N)=O)C[C@H](C)O1 ZINC000354824052 545816848 /nfs/dbraw/zinc/81/68/48/545816848.db2.gz AFQPNIUGVOZFHN-QNWHQSFQSA-N 1 1 301.387 -1.357 20 0 DAADMO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656103642 545816916 /nfs/dbraw/zinc/81/69/16/545816916.db2.gz BFRXBOYXNHMJKT-RWMBFGLXSA-N 1 1 310.398 -1.526 20 0 DAADMO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104548 545817537 /nfs/dbraw/zinc/81/75/37/545817537.db2.gz QFTLRTRSNBOJLF-MELADBBJSA-N 1 1 324.425 -1.149 20 0 DAADMO C[C@H](Cn1cccn1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656294946 545817751 /nfs/dbraw/zinc/81/77/51/545817751.db2.gz CXJXYVGTRITEAJ-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104084 545817801 /nfs/dbraw/zinc/81/78/01/545817801.db2.gz GTOVSTIRXXZDQH-RFQIPJPRSA-N 1 1 322.409 -1.383 20 0 DAADMO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104084 545817808 /nfs/dbraw/zinc/81/78/08/545817808.db2.gz GTOVSTIRXXZDQH-RFQIPJPRSA-N 1 1 322.409 -1.383 20 0 DAADMO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656104003 545817938 /nfs/dbraw/zinc/81/79/38/545817938.db2.gz FMHKSBYTPLTJQD-QNWHQSFQSA-N 1 1 310.398 -1.527 20 0 DAADMO Cc1n[nH]cc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299169 545818651 /nfs/dbraw/zinc/81/86/51/545818651.db2.gz YLGSNYDKIBLOOT-NWDGAFQWSA-N 1 1 307.354 -1.388 20 0 DAADMO O=C(NCC[C@H]1CCOC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656320646 545819065 /nfs/dbraw/zinc/81/90/65/545819065.db2.gz QTKSPGWEHYSARR-RWMBFGLXSA-N 1 1 311.382 -1.193 20 0 DAADMO CCn1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656338393 545819868 /nfs/dbraw/zinc/81/98/68/545819868.db2.gz IIGIABUFPJGKSV-QWHCGFSZSA-N 1 1 321.381 -1.203 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cnn(C)c1 ZINC000656313559 545819987 /nfs/dbraw/zinc/81/99/87/545819987.db2.gz SIMKNOKJYNYZBZ-WCFLWFBJSA-N 1 1 321.381 -1.125 20 0 DAADMO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC1 ZINC000656328796 545820264 /nfs/dbraw/zinc/82/02/64/545820264.db2.gz IBCHQPRDNGWROU-QWHCGFSZSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297637 545820846 /nfs/dbraw/zinc/82/08/46/545820846.db2.gz GVAZAJLQEKPKFU-RWMBFGLXSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(NC[C@@H]1CCCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302125 545820950 /nfs/dbraw/zinc/82/09/50/545820950.db2.gz HHKZHLJQGOHMOM-XQQFMLRXSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656316179 545821025 /nfs/dbraw/zinc/82/10/25/545821025.db2.gz PVHLLXRNUPPVNE-RFQIPJPRSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316179 545821029 /nfs/dbraw/zinc/82/10/29/545821029.db2.gz PVHLLXRNUPPVNE-RFQIPJPRSA-N 1 1 324.425 -1.137 20 0 DAADMO COC1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000656334120 545821053 /nfs/dbraw/zinc/82/10/53/545821053.db2.gz BRRNKAIHNOJRRJ-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(NC[C@H]1CCCOC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301003 545821097 /nfs/dbraw/zinc/82/10/97/545821097.db2.gz WXWQHISSPWGHNW-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO COCC(=O)NC1CN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000358479165 545825361 /nfs/dbraw/zinc/82/53/61/545825361.db2.gz OZHAUCGJBJLVAD-SCRDCRAPSA-N 1 1 315.414 -1.097 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCNC(=O)C2)CC[N@@H+]1CCO ZINC000657621556 545825616 /nfs/dbraw/zinc/82/56/16/545825616.db2.gz WHXIJLFTMLIAMW-UHFFFAOYSA-N 1 1 312.370 -2.140 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CCNC(=O)C2)CC[N@H+]1CCO ZINC000657621556 545825623 /nfs/dbraw/zinc/82/56/23/545825623.db2.gz WHXIJLFTMLIAMW-UHFFFAOYSA-N 1 1 312.370 -2.140 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627384810 545829183 /nfs/dbraw/zinc/82/91/83/545829183.db2.gz PFPBWPUODFGANK-LBPRGKRZSA-N 1 1 316.402 -1.825 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627384810 545829189 /nfs/dbraw/zinc/82/91/89/545829189.db2.gz PFPBWPUODFGANK-LBPRGKRZSA-N 1 1 316.402 -1.825 20 0 DAADMO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627393708 545829783 /nfs/dbraw/zinc/82/97/83/545829783.db2.gz IFSKUTYDMLUTQJ-NSHDSACASA-N 1 1 302.375 -2.215 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000658625346 545834678 /nfs/dbraw/zinc/83/46/78/545834678.db2.gz RGBLQEWKEGFISD-LBPRGKRZSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCN1CCC2 ZINC000662908132 545840175 /nfs/dbraw/zinc/84/01/75/545840175.db2.gz ZEEOJLPRUBJLEP-KGLIPLIRSA-N 1 1 323.441 -1.249 20 0 DAADMO CN(C)c1nc(N)nc(CN(C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640060048 545849219 /nfs/dbraw/zinc/84/92/19/545849219.db2.gz XRTKJBWEJCOESG-UHFFFAOYSA-N 1 1 322.417 -1.274 20 0 DAADMO C[N@@H+](CCNC(=O)c1nc(N)nc(N2CCOCC2)n1)C1CC1 ZINC000563238534 545851189 /nfs/dbraw/zinc/85/11/89/545851189.db2.gz VIIYDYKHHBGWHO-UHFFFAOYSA-N 1 1 321.385 -0.886 20 0 DAADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(n3cnnn3)CC2)C1 ZINC000667939237 545860803 /nfs/dbraw/zinc/86/08/03/545860803.db2.gz BYWCCFWFZRJCMI-LLVKDONJSA-N 1 1 321.385 -1.134 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310494 545861874 /nfs/dbraw/zinc/86/18/74/545861874.db2.gz WRRVCEZKFSMAGS-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000672597230 545863465 /nfs/dbraw/zinc/86/34/65/545863465.db2.gz HDUGBBDWQBZFOK-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(C[N@H+](CCO)CCN1CCOCC1)NC[C@H]1CCCO1 ZINC000487505375 545864170 /nfs/dbraw/zinc/86/41/70/545864170.db2.gz UDLJGMOASBMYPH-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(C[N@@H+](CCO)CCN1CCOCC1)NC[C@H]1CCCO1 ZINC000487505375 545864176 /nfs/dbraw/zinc/86/41/76/545864176.db2.gz UDLJGMOASBMYPH-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1ccnn1)[C@@H]1C[N@H+](C)CCO1 ZINC000672962240 545865306 /nfs/dbraw/zinc/86/53/06/545865306.db2.gz TYVKOADWJXAHHR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCCn1ccnn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672962240 545865312 /nfs/dbraw/zinc/86/53/12/545865312.db2.gz TYVKOADWJXAHHR-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1ccnn1)[C@H]1C[N@H+](C)CCO1 ZINC000672962241 545865371 /nfs/dbraw/zinc/86/53/71/545865371.db2.gz TYVKOADWJXAHHR-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCCn1ccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC000672962241 545865377 /nfs/dbraw/zinc/86/53/77/545865377.db2.gz TYVKOADWJXAHHR-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000674679333 545869308 /nfs/dbraw/zinc/86/93/08/545869308.db2.gz XJZNFKLDQHLFJM-UHFFFAOYSA-N 1 1 323.441 -1.343 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000675626464 545870446 /nfs/dbraw/zinc/87/04/46/545870446.db2.gz PJXSIKFMOLTTCA-NSHDSACASA-N 1 1 317.411 -1.347 20 0 DAADMO C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676290173 545872001 /nfs/dbraw/zinc/87/20/01/545872001.db2.gz NAOUKXODZDYGTE-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676290173 545872005 /nfs/dbraw/zinc/87/20/05/545872005.db2.gz NAOUKXODZDYGTE-NWDGAFQWSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000676287102 545872443 /nfs/dbraw/zinc/87/24/43/545872443.db2.gz OLTMBJADZAOQGF-DTWKUNHWSA-N 1 1 312.326 -1.758 20 0 DAADMO C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676287102 545872446 /nfs/dbraw/zinc/87/24/46/545872446.db2.gz OLTMBJADZAOQGF-DTWKUNHWSA-N 1 1 312.326 -1.758 20 0 DAADMO CC[N@H+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000677195805 545873171 /nfs/dbraw/zinc/87/31/71/545873171.db2.gz VVMPJINENVJTLN-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000677740064 545874932 /nfs/dbraw/zinc/87/49/32/545874932.db2.gz LRUYQGGPSMLUGX-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000677883178 545875534 /nfs/dbraw/zinc/87/55/34/545875534.db2.gz MATXCLKJRLTJLO-KGLIPLIRSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677883178 545875538 /nfs/dbraw/zinc/87/55/38/545875538.db2.gz MATXCLKJRLTJLO-KGLIPLIRSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677883178 545875545 /nfs/dbraw/zinc/87/55/45/545875545.db2.gz MATXCLKJRLTJLO-KGLIPLIRSA-N 1 1 323.441 -1.168 20 0 DAADMO NC(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677883178 545875550 /nfs/dbraw/zinc/87/55/50/545875550.db2.gz MATXCLKJRLTJLO-KGLIPLIRSA-N 1 1 323.441 -1.168 20 0 DAADMO Cc1nnc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)[nH]1 ZINC000678891888 545878420 /nfs/dbraw/zinc/87/84/20/545878420.db2.gz QSGQOOKKIXHNNE-AWEZNQCLSA-N 1 1 324.429 -1.076 20 0 DAADMO C[C@H](NC(=O)NCC(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000678949743 545878954 /nfs/dbraw/zinc/87/89/54/545878954.db2.gz KMIWTUUFCSFOKE-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO C[C@H](NC(=O)NCC(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000678949743 545878961 /nfs/dbraw/zinc/87/89/61/545878961.db2.gz KMIWTUUFCSFOKE-RYUDHWBXSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)CC(=O)N1CCNC(=O)C1 ZINC000679374610 545880004 /nfs/dbraw/zinc/88/00/04/545880004.db2.gz ZDEVWWKYXKRMKJ-UHFFFAOYSA-N 1 1 311.386 -2.349 20 0 DAADMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000679637061 545880546 /nfs/dbraw/zinc/88/05/46/545880546.db2.gz HDRNBNRDMGJVOZ-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000680197026 545881492 /nfs/dbraw/zinc/88/14/92/545881492.db2.gz SQBYHGPWOYIWQH-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C[C@@H]1C ZINC000679798869 545881608 /nfs/dbraw/zinc/88/16/08/545881608.db2.gz SANVNBNVTCGXEL-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)C[C@@H]1C ZINC000679798869 545881611 /nfs/dbraw/zinc/88/16/11/545881611.db2.gz SANVNBNVTCGXEL-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)S(N)(=O)=O ZINC000679790008 545882243 /nfs/dbraw/zinc/88/22/43/545882243.db2.gz BSBSYQFLQHJGIC-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC(CO)CO)CC1=O ZINC000680452066 545883354 /nfs/dbraw/zinc/88/33/54/545883354.db2.gz XNKKLJDNHGDNKX-WCQYABFASA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)C3CC(O)C3)c2c(=O)n(C)c1=O ZINC000680580730 545883439 /nfs/dbraw/zinc/88/34/39/545883439.db2.gz FNVKCICCBDVONN-UHFFFAOYSA-N 1 1 307.354 -1.111 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000680828794 545883687 /nfs/dbraw/zinc/88/36/87/545883687.db2.gz YYYIMXJLVHSAMO-CMPLNLGQSA-N 1 1 305.400 -1.407 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1=O ZINC000682007915 545886472 /nfs/dbraw/zinc/88/64/72/545886472.db2.gz OKRMPPRYSLTTEH-UHFFFAOYSA-N 1 1 324.381 -1.538 20 0 DAADMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnnn1C ZINC000684577450 545890929 /nfs/dbraw/zinc/89/09/29/545890929.db2.gz WYPNUHXMXDGYDQ-UHFFFAOYSA-N 1 1 304.420 -1.071 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685128767 545892416 /nfs/dbraw/zinc/89/24/16/545892416.db2.gz MUXPIYCGYXIWNF-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685128767 545892418 /nfs/dbraw/zinc/89/24/18/545892418.db2.gz MUXPIYCGYXIWNF-WDEREUQCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000685194356 545893061 /nfs/dbraw/zinc/89/30/61/545893061.db2.gz KWLRVLKIBYWSGC-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccn(C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000685194356 545893064 /nfs/dbraw/zinc/89/30/64/545893064.db2.gz KWLRVLKIBYWSGC-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685340910 545893316 /nfs/dbraw/zinc/89/33/16/545893316.db2.gz LARYIRXKNKQKBS-MNOVXSKESA-N 1 1 322.369 -1.544 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCn2ncnc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685340910 545893319 /nfs/dbraw/zinc/89/33/19/545893319.db2.gz LARYIRXKNKQKBS-MNOVXSKESA-N 1 1 322.369 -1.544 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685337075 545893326 /nfs/dbraw/zinc/89/33/26/545893326.db2.gz ZJNFARLPIVLOFX-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685337075 545893327 /nfs/dbraw/zinc/89/33/27/545893327.db2.gz ZJNFARLPIVLOFX-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000685338474 545893348 /nfs/dbraw/zinc/89/33/48/545893348.db2.gz RMRAVOGLBXJRMW-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000685338474 545893351 /nfs/dbraw/zinc/89/33/51/545893351.db2.gz RMRAVOGLBXJRMW-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561139 545893908 /nfs/dbraw/zinc/89/39/08/545893908.db2.gz GILNGXWPLXNTHD-CYBMUJFWSA-N 1 1 320.459 -1.135 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@H]1O ZINC001199111853 782170628 /nfs/dbraw/zinc/17/06/28/782170628.db2.gz PEIOKHIKBXAODL-CHWSQXEVSA-N 1 1 310.402 -1.183 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111745 782170728 /nfs/dbraw/zinc/17/07/28/782170728.db2.gz KFQGBURKHYZEQA-QJPTWQEYSA-N 1 1 300.403 -1.378 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ccccn3)cn2)[C@H]2NCN[C@@H]21 ZINC001199118733 782171681 /nfs/dbraw/zinc/17/16/81/782171681.db2.gz LEVYRXRSVACGDV-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ccccn3)cn2)[C@@H]2NCN[C@H]21 ZINC001199118737 782172017 /nfs/dbraw/zinc/17/20/17/782172017.db2.gz LEVYRXRSVACGDV-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111736 782172235 /nfs/dbraw/zinc/17/22/35/782172235.db2.gz JUHNQGHTQUSWDN-JHJVBQTASA-N 1 1 303.403 -1.505 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111736 782172237 /nfs/dbraw/zinc/17/22/37/782172237.db2.gz JUHNQGHTQUSWDN-JHJVBQTASA-N 1 1 303.403 -1.505 20 0 DAADMO COCCOc1ccnc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001199219855 782173157 /nfs/dbraw/zinc/17/31/57/782173157.db2.gz XHRLYFBRXBZQLO-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cc(C(N)=O)cs1 ZINC001152596907 782176021 /nfs/dbraw/zinc/17/60/21/782176021.db2.gz SMOPTEAABZVWJS-UHFFFAOYSA-N 1 1 309.355 -1.110 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(CC(F)(F)F)cn2)[C@@H]2NCN[C@@H]21 ZINC001199397163 782176461 /nfs/dbraw/zinc/17/64/61/782176461.db2.gz HVNSXYVBTYMEPZ-HLTSFMKQSA-N 1 1 319.291 -1.422 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(CC(F)(F)F)cn2)[C@H]2NCN[C@@H]21 ZINC001199397164 782176740 /nfs/dbraw/zinc/17/67/40/782176740.db2.gz HVNSXYVBTYMEPZ-IWSPIJDZSA-N 1 1 319.291 -1.422 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199421207 782177385 /nfs/dbraw/zinc/17/73/85/782177385.db2.gz ANMBBDPIIPUSRU-NXEZZACHSA-N 1 1 300.315 -1.838 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199421207 782177389 /nfs/dbraw/zinc/17/73/89/782177389.db2.gz ANMBBDPIIPUSRU-NXEZZACHSA-N 1 1 300.315 -1.838 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199421186 782177455 /nfs/dbraw/zinc/17/74/55/782177455.db2.gz AHKQRLKBWQPPQI-IVZWLZJFSA-N 1 1 300.315 -1.840 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199421186 782177458 /nfs/dbraw/zinc/17/74/58/782177458.db2.gz AHKQRLKBWQPPQI-IVZWLZJFSA-N 1 1 300.315 -1.840 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199449616 782178475 /nfs/dbraw/zinc/17/84/75/782178475.db2.gz AHQQZYUGCWYHAN-HBNTYKKESA-N 1 1 303.359 -2.189 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)N1CCCC1=O ZINC001199422957 782178557 /nfs/dbraw/zinc/17/85/57/782178557.db2.gz XPRLESDHBPBHMG-YRGRVCCFSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)N1CCCC1=O ZINC001199422957 782178562 /nfs/dbraw/zinc/17/85/62/782178562.db2.gz XPRLESDHBPBHMG-YRGRVCCFSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1=O ZINC001199516090 782181228 /nfs/dbraw/zinc/18/12/28/782181228.db2.gz NJDUBPXUDHOVLF-RWMBFGLXSA-N 1 1 306.370 -1.438 20 0 DAADMO CC(C)n1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1=O ZINC001199496466 782181703 /nfs/dbraw/zinc/18/17/03/782181703.db2.gz BXEIXHLKEFUELF-FRRDWIJNSA-N 1 1 306.370 -1.438 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(OC3CCC3)ncn2)[C@@H]2NCN[C@H]21 ZINC001199477292 782181838 /nfs/dbraw/zinc/18/18/38/782181838.db2.gz KUXCQWRTHIURFP-XQQFMLRXSA-N 1 1 319.369 -1.459 20 0 DAADMO C[C@]1(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCC(=O)N1 ZINC001199592058 782182749 /nfs/dbraw/zinc/18/27/49/782182749.db2.gz UOIJJXMVDFBTIF-JMSVASOKSA-N 1 1 313.398 -1.021 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001199566633 782183817 /nfs/dbraw/zinc/18/38/17/782183817.db2.gz CPJBHTAJIDHFFX-GMTAPVOTSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCOc1cnccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001199631132 782183890 /nfs/dbraw/zinc/18/38/90/782183890.db2.gz KEHKPUXLFSSXNS-RWMBFGLXSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCOc1cnccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001199631130 782183389 /nfs/dbraw/zinc/18/33/89/782183389.db2.gz KEHKPUXLFSSXNS-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO C[C@@]1(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CCC(=O)N1 ZINC001199592064 782183415 /nfs/dbraw/zinc/18/34/15/782183415.db2.gz UOIJJXMVDFBTIF-LALPHHSUSA-N 1 1 313.398 -1.021 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2CC2CCC2)[C@@H]2NCN[C@@H]21 ZINC001199613031 782183614 /nfs/dbraw/zinc/18/36/14/782183614.db2.gz SPALKGNMFLLMRU-UPJWGTAASA-N 1 1 305.386 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccnc(OC3CCC3)n2)[C@H]2NCN[C@H]21 ZINC001199655529 782185421 /nfs/dbraw/zinc/18/54/21/782185421.db2.gz LIDULYWDBVHPMA-QJPTWQEYSA-N 1 1 319.369 -1.459 20 0 DAADMO C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)[O-])CC1 ZINC000820543722 597794335 /nfs/dbraw/zinc/79/43/35/597794335.db2.gz PLCJPPVEAGGDIU-UHFFFAOYSA-N 1 1 314.386 -1.423 20 0 DAADMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NC(N)=O ZINC000821600578 606699959 /nfs/dbraw/zinc/69/99/59/606699959.db2.gz TVAUJBHXFHBMAI-UHFFFAOYSA-N 1 1 322.333 -1.769 20 0 DAADMO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241869 607222947 /nfs/dbraw/zinc/22/29/47/607222947.db2.gz PLBZDJSIRHYNDS-DTWKUNHWSA-N 1 1 305.346 -1.085 20 0 DAADMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241869 607222948 /nfs/dbraw/zinc/22/29/48/607222948.db2.gz PLBZDJSIRHYNDS-DTWKUNHWSA-N 1 1 305.346 -1.085 20 0 DAADMO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241868 607222995 /nfs/dbraw/zinc/22/29/95/607222995.db2.gz PLBZDJSIRHYNDS-BDAKNGLRSA-N 1 1 305.346 -1.085 20 0 DAADMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241868 607222996 /nfs/dbraw/zinc/22/29/96/607222996.db2.gz PLBZDJSIRHYNDS-BDAKNGLRSA-N 1 1 305.346 -1.085 20 0 DAADMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@H]1CCNC1=O ZINC000825934743 608036758 /nfs/dbraw/zinc/03/67/58/608036758.db2.gz RGNHRTIIMNVNAU-QMMMGPOBSA-N 1 1 305.346 -1.075 20 0 DAADMO Nc1c(-c2nn[nH]n2)cnn1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000826394823 608120199 /nfs/dbraw/zinc/12/01/99/608120199.db2.gz AOBNNQZPIVJNOK-VIFPVBQESA-N 1 1 303.330 -1.325 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057264866 678707300 /nfs/dbraw/zinc/70/73/00/678707300.db2.gz HAFXVBSCLNQFGC-VIFPVBQESA-N 1 1 302.331 -3.261 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001057264866 678707297 /nfs/dbraw/zinc/70/72/97/678707297.db2.gz HAFXVBSCLNQFGC-VIFPVBQESA-N 1 1 302.331 -3.261 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632538 678733648 /nfs/dbraw/zinc/73/36/48/678733648.db2.gz QZHBBIJHSYKCFO-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C1CO[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)CN1 ZINC001199956954 782188629 /nfs/dbraw/zinc/18/86/29/782188629.db2.gz QPHDSESRUXLXRQ-LLVKDONJSA-N 1 1 316.427 -1.312 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000933644959 662390127 /nfs/dbraw/zinc/39/01/27/662390127.db2.gz XRAPEOWILGIQMI-CHWSQXEVSA-N 1 1 324.443 -1.329 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908304612 662802617 /nfs/dbraw/zinc/80/26/17/662802617.db2.gz XQNLTLYFWGSKDQ-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000910687535 663131089 /nfs/dbraw/zinc/13/10/89/663131089.db2.gz LJPMKSYHVLEAJJ-IJLUTSLNSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000910687535 663131096 /nfs/dbraw/zinc/13/10/96/663131096.db2.gz LJPMKSYHVLEAJJ-IJLUTSLNSA-N 1 1 301.387 -1.213 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)N2CCOCC2)CC1 ZINC000920538662 663306070 /nfs/dbraw/zinc/30/60/70/663306070.db2.gz CFIFSDFVFHXXDE-UHFFFAOYSA-N 1 1 306.388 -2.073 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1=O)CCOCCO ZINC000922117678 663621845 /nfs/dbraw/zinc/62/18/45/663621845.db2.gz SYDHYOFVYKEXFR-UHFFFAOYSA-N 1 1 303.359 -2.098 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)CC1=O ZINC000922123985 663622960 /nfs/dbraw/zinc/62/29/60/663622960.db2.gz NLUVZHVIMNIAFR-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO COCCCN(C(=O)[C@@H]([NH3+])CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000876561216 663946090 /nfs/dbraw/zinc/94/60/90/663946090.db2.gz NIYSPSWLJFTINM-RYUDHWBXSA-N 1 1 321.443 -1.073 20 0 DAADMO COCCCN(C(=O)[C@@H]([NH3+])CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000876561215 663946322 /nfs/dbraw/zinc/94/63/22/663946322.db2.gz NIYSPSWLJFTINM-NEPJUHHUSA-N 1 1 321.443 -1.073 20 0 DAADMO CN(C)S(=O)(=O)N1CCC[N@@H+](CCn2cnnn2)CC1 ZINC000878633307 663953410 /nfs/dbraw/zinc/95/34/10/663953410.db2.gz XMKCSJIOMVMUBI-UHFFFAOYSA-N 1 1 303.392 -1.513 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887926619 663977126 /nfs/dbraw/zinc/97/71/26/663977126.db2.gz QPJXPROAUMDLQT-CMPLNLGQSA-N 1 1 304.416 -1.208 20 0 DAADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC[N@@H+](C)CCO ZINC000885805603 663969101 /nfs/dbraw/zinc/96/91/01/663969101.db2.gz VGHDANHWSQSVOG-NSHDSACASA-N 1 1 323.415 -1.228 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949238888 662305386 /nfs/dbraw/zinc/30/53/86/662305386.db2.gz NQESAASCSULVAD-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949238888 662305388 /nfs/dbraw/zinc/30/53/88/662305388.db2.gz NQESAASCSULVAD-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC000969119693 662305444 /nfs/dbraw/zinc/30/54/44/662305444.db2.gz NWZNPAXHCLMBBT-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 ZINC000949233374 662305536 /nfs/dbraw/zinc/30/55/36/662305536.db2.gz MXMVXYIMMDENBV-NSHDSACASA-N 1 1 324.381 -1.556 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000969143068 662306066 /nfs/dbraw/zinc/30/60/66/662306066.db2.gz KXDPGZAJDCWSNV-SNVBAGLBSA-N 1 1 321.341 -1.336 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001020413299 662307723 /nfs/dbraw/zinc/30/77/23/662307723.db2.gz VNBIXKAPFKUJSB-KYZUINATSA-N 1 1 318.341 -1.646 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001020436213 662309293 /nfs/dbraw/zinc/30/92/93/662309293.db2.gz VGMITXYZKAJIOV-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1)[C@H]1CCNC1=O ZINC001020464681 662311686 /nfs/dbraw/zinc/31/16/86/662311686.db2.gz DITFWZVVWXVJQE-QXEWZRGKSA-N 1 1 319.369 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCN2C(=O)CNC2=O)C1 ZINC001039028544 662311812 /nfs/dbraw/zinc/31/18/12/662311812.db2.gz PWUXNSSJZNSHBE-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001020471207 662312157 /nfs/dbraw/zinc/31/21/57/662312157.db2.gz YXUSYUWGARCZRU-KYXWUPHJSA-N 1 1 322.373 -1.469 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001020471208 662312314 /nfs/dbraw/zinc/31/23/14/662312314.db2.gz YXUSYUWGARCZRU-XKNYDFJKSA-N 1 1 322.373 -1.469 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC001020478515 662312701 /nfs/dbraw/zinc/31/27/01/662312701.db2.gz PRBFJKMFXPRTJL-ZKCHVHJHSA-N 1 1 318.345 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001020476297 662313096 /nfs/dbraw/zinc/31/30/96/662313096.db2.gz OGGQCRDVIANPAP-GUBZILKMSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001020490077 662314104 /nfs/dbraw/zinc/31/41/04/662314104.db2.gz MQIGELJFCQOVAR-DBIOUOCHSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)nn1 ZINC000969401716 662314441 /nfs/dbraw/zinc/31/44/41/662314441.db2.gz XPIVQJMKCAYDHT-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001020521288 662314988 /nfs/dbraw/zinc/31/49/88/662314988.db2.gz LKJJWUMUKOPTPR-ZKCHVHJHSA-N 1 1 304.314 -1.656 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1 ZINC001020530982 662316140 /nfs/dbraw/zinc/31/61/40/662316140.db2.gz BARYOWFJWFSMFO-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1 ZINC001020530982 662316143 /nfs/dbraw/zinc/31/61/43/662316143.db2.gz BARYOWFJWFSMFO-DCAQKATOSA-N 1 1 312.370 -1.702 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001020531706 662316706 /nfs/dbraw/zinc/31/67/06/662316706.db2.gz ZWMIDVCNGPIDJW-CIUDSAMLSA-N 1 1 323.357 -1.446 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441199 662317574 /nfs/dbraw/zinc/31/75/74/662317574.db2.gz IXOPGRPBTSUJQH-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC000969441199 662317577 /nfs/dbraw/zinc/31/75/77/662317577.db2.gz IXOPGRPBTSUJQH-ZYHUDNBSSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969516847 662319472 /nfs/dbraw/zinc/31/94/72/662319472.db2.gz FWFWRLKYSPOHAR-YPMHNXCESA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969513957 662320169 /nfs/dbraw/zinc/32/01/69/662320169.db2.gz JGIMFMVUXRSQLS-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969560092 662321813 /nfs/dbraw/zinc/32/18/13/662321813.db2.gz MEDIEKDCQXSKRL-SECBINFHSA-N 1 1 320.357 -1.044 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969548710 662321870 /nfs/dbraw/zinc/32/18/70/662321870.db2.gz VGXYDZDTMHRCSH-LLVKDONJSA-N 1 1 322.369 -1.224 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000969586023 662323458 /nfs/dbraw/zinc/32/34/58/662323458.db2.gz FQFQZWLQMKBSBQ-RKDXNWHRSA-N 1 1 308.346 -2.076 20 0 DAADMO C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000949291831 662323579 /nfs/dbraw/zinc/32/35/79/662323579.db2.gz YAGDTXCVRIMMHR-LBPRGKRZSA-N 1 1 324.385 -1.253 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000969636954 662323977 /nfs/dbraw/zinc/32/39/77/662323977.db2.gz FKSHDPOBVBHWAC-NXEZZACHSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)nn1 ZINC000969644399 662324144 /nfs/dbraw/zinc/32/41/44/662324144.db2.gz IUJRUTVTUVZCFO-PWSUYJOCSA-N 1 1 306.370 -1.016 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000969626712 662324232 /nfs/dbraw/zinc/32/42/32/662324232.db2.gz YKAGFTUCZRRAJC-HTQZYQBOSA-N 1 1 306.334 -1.701 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000969673517 662324712 /nfs/dbraw/zinc/32/47/12/662324712.db2.gz AJHQGMNXHUJMAL-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969743314 662325331 /nfs/dbraw/zinc/32/53/31/662325331.db2.gz DURSDEUNYCPRGE-MRVPVSSYSA-N 1 1 304.314 -1.702 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)CC1 ZINC000969739655 662326657 /nfs/dbraw/zinc/32/66/57/662326657.db2.gz DBGIBOBNDCVODI-MNOVXSKESA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)CC1 ZINC000969739655 662326658 /nfs/dbraw/zinc/32/66/58/662326658.db2.gz DBGIBOBNDCVODI-MNOVXSKESA-N 1 1 322.369 -1.552 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766362 662328865 /nfs/dbraw/zinc/32/88/65/662328865.db2.gz MNIIQDDFVASZMT-NXEZZACHSA-N 1 1 307.358 -1.330 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC000969770030 662328932 /nfs/dbraw/zinc/32/89/32/662328932.db2.gz ABZZCINPZWVAIU-KOLCDFICSA-N 1 1 307.358 -1.330 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)c1nnnn1C ZINC000969792860 662331343 /nfs/dbraw/zinc/33/13/43/662331343.db2.gz UQGKMFDVPWVUEJ-DTWKUNHWSA-N 1 1 307.358 -1.273 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969790369 662331457 /nfs/dbraw/zinc/33/14/57/662331457.db2.gz WJGKISQRVQMDLB-MNOVXSKESA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)O1 ZINC000969801957 662331731 /nfs/dbraw/zinc/33/17/31/662331731.db2.gz IOAYBZXZDOYGFQ-WISYIIOYSA-N 1 1 324.381 -1.607 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)O1 ZINC000969801957 662331736 /nfs/dbraw/zinc/33/17/36/662331736.db2.gz IOAYBZXZDOYGFQ-WISYIIOYSA-N 1 1 324.381 -1.607 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001020596442 662332736 /nfs/dbraw/zinc/33/27/36/662332736.db2.gz RMUJVPAOAKIZQJ-LMLFDSFASA-N 1 1 321.385 -1.152 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020596220 662332752 /nfs/dbraw/zinc/33/27/52/662332752.db2.gz HBLOUMZWTNJXDM-OYBPUVFXSA-N 1 1 319.369 -1.134 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC000969905115 662334196 /nfs/dbraw/zinc/33/41/96/662334196.db2.gz LPTSNIGKIIXCMA-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC000969905116 662334297 /nfs/dbraw/zinc/33/42/97/662334297.db2.gz LPTSNIGKIIXCMA-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1 ZINC000969911654 662334427 /nfs/dbraw/zinc/33/44/27/662334427.db2.gz CQYRZNCCHCPVNX-XQQFMLRXSA-N 1 1 322.365 -1.143 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001020646442 662334673 /nfs/dbraw/zinc/33/46/73/662334673.db2.gz YZAHWMZYJJQLRI-FXQIFTODSA-N 1 1 324.366 -1.127 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000969930229 662334856 /nfs/dbraw/zinc/33/48/56/662334856.db2.gz DEKMPYBXKXNIJH-OUAUKWLOSA-N 1 1 322.369 -1.462 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000969935107 662334959 /nfs/dbraw/zinc/33/49/59/662334959.db2.gz VTXXSXWDJXTOJX-NOZJJQNGSA-N 1 1 307.358 -1.573 20 0 DAADMO CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958250 662335397 /nfs/dbraw/zinc/33/53/97/662335397.db2.gz KINCEEVVAFOFGM-NTZNESFSSA-N 1 1 312.414 -1.112 20 0 DAADMO CNC(=O)CN1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958250 662335400 /nfs/dbraw/zinc/33/54/00/662335400.db2.gz KINCEEVVAFOFGM-NTZNESFSSA-N 1 1 312.414 -1.112 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000969972885 662335822 /nfs/dbraw/zinc/33/58/22/662335822.db2.gz IPJYCWIXBKFPQO-OUAUKWLOSA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000969987702 662336400 /nfs/dbraw/zinc/33/64/00/662336400.db2.gz NVEHMSSGOAEQNH-MXWKQRLJSA-N 1 1 309.326 -1.535 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000888976123 662337904 /nfs/dbraw/zinc/33/79/04/662337904.db2.gz BFOZUDBRWDXBFX-CQSZACIVSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3cccnn3)[C@@H](O)C2)C1 ZINC000970037400 662339422 /nfs/dbraw/zinc/33/94/22/662339422.db2.gz USYWAJSSVDKOGL-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1 ZINC000970091933 662341594 /nfs/dbraw/zinc/34/15/94/662341594.db2.gz VMIUFIUYEWDFHS-TUAOUCFPSA-N 1 1 321.381 -1.408 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020764984 662342074 /nfs/dbraw/zinc/34/20/74/662342074.db2.gz SUYKARAIALQDTK-MGCOHNPYSA-N 1 1 318.337 -1.235 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001020781161 662342525 /nfs/dbraw/zinc/34/25/25/662342525.db2.gz FPICMNKWVBAXRP-MGCOHNPYSA-N 1 1 308.342 -1.486 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001020781161 662342528 /nfs/dbraw/zinc/34/25/28/662342528.db2.gz FPICMNKWVBAXRP-MGCOHNPYSA-N 1 1 308.342 -1.486 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001020764357 662342681 /nfs/dbraw/zinc/34/26/81/662342681.db2.gz IKPUYGMFIAJHHV-ZKCHVHJHSA-N 1 1 322.329 -2.501 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020900520 662344289 /nfs/dbraw/zinc/34/42/89/662344289.db2.gz HPYZGRCGWAFBAX-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020906433 662344701 /nfs/dbraw/zinc/34/47/01/662344701.db2.gz HOIJXVPUGAXZGN-MGCOHNPYSA-N 1 1 320.353 -1.267 20 0 DAADMO CN1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC[N@@H+](C)CC1 ZINC000888976289 662344710 /nfs/dbraw/zinc/34/47/10/662344710.db2.gz JCSUQZGCWHQHDL-NSHDSACASA-N 1 1 300.428 -1.076 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1=O ZINC001020919051 662344962 /nfs/dbraw/zinc/34/49/62/662344962.db2.gz JSLUHQBAGDMOMM-KYZUINATSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1)c1nnnn1C ZINC001020904597 662345020 /nfs/dbraw/zinc/34/50/20/662345020.db2.gz DUWJMPYPIJGQTI-CIUDSAMLSA-N 1 1 305.346 -1.131 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001020994741 662345841 /nfs/dbraw/zinc/34/58/41/662345841.db2.gz NMMKRCJLXAVVIZ-DCAQKATOSA-N 1 1 321.385 -1.042 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001038181628 662345981 /nfs/dbraw/zinc/34/59/81/662345981.db2.gz USVGAAWDKVDMAN-OLZOCXBDSA-N 1 1 308.386 -1.201 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001038181628 662345984 /nfs/dbraw/zinc/34/59/84/662345984.db2.gz USVGAAWDKVDMAN-OLZOCXBDSA-N 1 1 308.386 -1.201 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001038181629 662346235 /nfs/dbraw/zinc/34/62/35/662346235.db2.gz USVGAAWDKVDMAN-QWHCGFSZSA-N 1 1 308.386 -1.201 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001038181629 662346238 /nfs/dbraw/zinc/34/62/38/662346238.db2.gz USVGAAWDKVDMAN-QWHCGFSZSA-N 1 1 308.386 -1.201 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000970177644 662346972 /nfs/dbraw/zinc/34/69/72/662346972.db2.gz ZEPQIMJWMMZJEB-DTWKUNHWSA-N 1 1 307.354 -1.296 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001021023462 662347126 /nfs/dbraw/zinc/34/71/26/662347126.db2.gz GIMODCAQNXUATK-ZKCHVHJHSA-N 1 1 324.366 -1.173 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001021023315 662347399 /nfs/dbraw/zinc/34/73/99/662347399.db2.gz DDAWAAHDSJGDGE-ZKCHVHJHSA-N 1 1 322.329 -2.501 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CN3C(=O)CNC3=O)C2)o1 ZINC001021023607 662347461 /nfs/dbraw/zinc/34/74/61/662347461.db2.gz KNOFHWMXBLPQTP-KYZUINATSA-N 1 1 322.325 -1.333 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001021029029 662348358 /nfs/dbraw/zinc/34/83/58/662348358.db2.gz ZWVXJDUTNDHBGU-KYZUINATSA-N 1 1 321.341 -1.904 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970183903 662348469 /nfs/dbraw/zinc/34/84/69/662348469.db2.gz FJQXQVZQSOZDHJ-SKDRFNHKSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970183901 662348706 /nfs/dbraw/zinc/34/87/06/662348706.db2.gz FJQXQVZQSOZDHJ-JOYOIKCWSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CC(N)=O)C1 ZINC000970190451 662349025 /nfs/dbraw/zinc/34/90/25/662349025.db2.gz MVAFEVDDNYOUHC-YPPMETMDSA-N 1 1 322.409 -1.229 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970202614 662350127 /nfs/dbraw/zinc/35/01/27/662350127.db2.gz QTCZOFMIELRIDK-VWYCJHECSA-N 1 1 312.370 -1.968 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970207773 662350738 /nfs/dbraw/zinc/35/07/38/662350738.db2.gz IVBDYGCGZKYVPO-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970207773 662350743 /nfs/dbraw/zinc/35/07/43/662350743.db2.gz IVBDYGCGZKYVPO-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970207772 662350830 /nfs/dbraw/zinc/35/08/30/662350830.db2.gz IVBDYGCGZKYVPO-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970207772 662350832 /nfs/dbraw/zinc/35/08/32/662350832.db2.gz IVBDYGCGZKYVPO-KXUCPTDWSA-N 1 1 314.342 -3.120 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970205081 662353222 /nfs/dbraw/zinc/35/32/22/662353222.db2.gz IECKROXWZKFUFH-ZJUUUORDSA-N 1 1 323.353 -1.820 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001039156134 662353517 /nfs/dbraw/zinc/35/35/17/662353517.db2.gz YVRFTVMUANSOIW-NWDGAFQWSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001039156133 662353583 /nfs/dbraw/zinc/35/35/83/662353583.db2.gz YVRFTVMUANSOIW-NEPJUHHUSA-N 1 1 323.397 -1.286 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n(C)c1=O ZINC001021103951 662354392 /nfs/dbraw/zinc/35/43/92/662354392.db2.gz OAMHYOUGVBGUCT-KYZUINATSA-N 1 1 320.357 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC000970246970 662354790 /nfs/dbraw/zinc/35/47/90/662354790.db2.gz PIILVWAYBXIUGW-NXEZZACHSA-N 1 1 307.358 -1.431 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970267251 662355531 /nfs/dbraw/zinc/35/55/31/662355531.db2.gz DJIZYOMJCQKBQL-JOYOIKCWSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000970267248 662355548 /nfs/dbraw/zinc/35/55/48/662355548.db2.gz DJIZYOMJCQKBQL-BXKDBHETSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970265586 662355573 /nfs/dbraw/zinc/35/55/73/662355573.db2.gz RHJQATWQARVOJD-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970272180 662356022 /nfs/dbraw/zinc/35/60/22/662356022.db2.gz AYNUPEFNUNWHCO-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970272179 662356075 /nfs/dbraw/zinc/35/60/75/662356075.db2.gz AYNUPEFNUNWHCO-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970271444 662356115 /nfs/dbraw/zinc/35/61/15/662356115.db2.gz OMUAUDGQIVQWEJ-MWLCHTKSSA-N 1 1 311.386 -1.465 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC000970283084 662356674 /nfs/dbraw/zinc/35/66/74/662356674.db2.gz KBGOKXSVIVMBPD-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3nnn(C)n3)C2)C1=O ZINC000970288857 662356900 /nfs/dbraw/zinc/35/69/00/662356900.db2.gz YEYPHULYZIBKFL-GXSJLCMTSA-N 1 1 321.385 -1.119 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000970283707 662357141 /nfs/dbraw/zinc/35/71/41/662357141.db2.gz ZLTZGFLJAAAMNX-SNVBAGLBSA-N 1 1 307.310 -1.083 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC000970289581 662357391 /nfs/dbraw/zinc/35/73/91/662357391.db2.gz IWPGVDQQTJDPQT-MWLCHTKSSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970292731 662357405 /nfs/dbraw/zinc/35/74/05/662357405.db2.gz NQIYTWIZLFOLHE-ZYHUDNBSSA-N 1 1 310.398 -1.011 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC000970289594 662357599 /nfs/dbraw/zinc/35/75/99/662357599.db2.gz JCGNHBSSHBADFI-PSASIEDQSA-N 1 1 307.358 -1.461 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC000970326170 662357985 /nfs/dbraw/zinc/35/79/85/662357985.db2.gz XCWNJWHUTKDYHP-VHSXEESVSA-N 1 1 320.361 -1.462 20 0 DAADMO O=C(NCCCn1ccc(=O)[nH]c1=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000890930059 662358422 /nfs/dbraw/zinc/35/84/22/662358422.db2.gz LUZYMJNMPFIORA-GFCCVEGCSA-N 1 1 321.381 -1.155 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC000970324710 662358554 /nfs/dbraw/zinc/35/85/54/662358554.db2.gz OGSCPGMJMRZYII-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970340265 662358790 /nfs/dbraw/zinc/35/87/90/662358790.db2.gz OKDHHPRBIIMNTA-GZMMTYOYSA-N 1 1 305.338 -1.292 20 0 DAADMO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932713861 662359331 /nfs/dbraw/zinc/35/93/31/662359331.db2.gz TVHFAUFLWODDTH-UWVGGRQHSA-N 1 1 305.400 -1.398 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970354873 662359733 /nfs/dbraw/zinc/35/97/33/662359733.db2.gz UZHKDWXRALKJFT-CABZTGNLSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970431945 662361086 /nfs/dbraw/zinc/36/10/86/662361086.db2.gz UXANMCAJPOMBSK-WCQGTBRESA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001021265198 662361657 /nfs/dbraw/zinc/36/16/57/662361657.db2.gz XPEWJOJIPONAGQ-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1nnnn1C ZINC000970445389 662361879 /nfs/dbraw/zinc/36/18/79/662361879.db2.gz FBTGVGUBYOGLIP-RKDXNWHRSA-N 1 1 305.346 -1.178 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)c1nnnn1C ZINC000970524084 662363446 /nfs/dbraw/zinc/36/34/46/662363446.db2.gz HIHHGIBVBWBEFK-AEJSXWLSSA-N 1 1 307.358 -1.260 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010677161 662363522 /nfs/dbraw/zinc/36/35/22/662363522.db2.gz ONKQIGOIVQCJDN-ZDUSSCGKSA-N 1 1 308.386 -1.199 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676538 662363591 /nfs/dbraw/zinc/36/35/91/662363591.db2.gz GAZWYPXNRSRRLY-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676538 662363592 /nfs/dbraw/zinc/36/35/92/662363592.db2.gz GAZWYPXNRSRRLY-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010695307 662364247 /nfs/dbraw/zinc/36/42/47/662364247.db2.gz QCVSNSCSJJLTBX-STQMWFEESA-N 1 1 308.386 -1.201 20 0 DAADMO Cn1cnnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038136645 662364289 /nfs/dbraw/zinc/36/42/89/662364289.db2.gz LZTDFUXQGNDEJM-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038136645 662364291 /nfs/dbraw/zinc/36/42/91/662364291.db2.gz LZTDFUXQGNDEJM-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970577721 662364873 /nfs/dbraw/zinc/36/48/73/662364873.db2.gz ORHPMZUWKYLZHB-VIFPVBQESA-N 1 1 324.381 -1.436 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970577793 662364911 /nfs/dbraw/zinc/36/49/11/662364911.db2.gz QZSIYRMCXRGGPS-JGVFFNPUSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970584081 662365046 /nfs/dbraw/zinc/36/50/46/662365046.db2.gz SCSZVNRXRAAECK-KCJUWKMLSA-N 1 1 320.353 -1.330 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700454 662365180 /nfs/dbraw/zinc/36/51/80/662365180.db2.gz YDJZDIHDQWGPGW-VHSXEESVSA-N 1 1 308.342 -1.595 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010700454 662365182 /nfs/dbraw/zinc/36/51/82/662365182.db2.gz YDJZDIHDQWGPGW-VHSXEESVSA-N 1 1 308.342 -1.595 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC001021366308 662365879 /nfs/dbraw/zinc/36/58/79/662365879.db2.gz WLVZYQOSWDJRJO-FGWVZKOKSA-N 1 1 309.370 -1.392 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970616305 662366021 /nfs/dbraw/zinc/36/60/21/662366021.db2.gz LYSKQBIEXJLTMT-QMMMGPOBSA-N 1 1 322.325 -1.329 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949348495 662366316 /nfs/dbraw/zinc/36/63/16/662366316.db2.gz FHGCEONCLVZAQB-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000970647878 662366465 /nfs/dbraw/zinc/36/64/65/662366465.db2.gz GSNBQBQRPJASHR-SECBINFHSA-N 1 1 318.341 -1.692 20 0 DAADMO C[C@H](NC(=O)c1cnon1)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970623396 662366479 /nfs/dbraw/zinc/36/64/79/662366479.db2.gz PZOJDGWKPUIPFU-XVKPBYJWSA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000970640909 662366628 /nfs/dbraw/zinc/36/66/28/662366628.db2.gz ORNFTUISMGNBOL-JLLWLGSASA-N 1 1 323.353 -1.145 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021412409 662366876 /nfs/dbraw/zinc/36/68/76/662366876.db2.gz CTQXKUHKMMEORT-FGWVZKOKSA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)n1 ZINC000970661769 662367001 /nfs/dbraw/zinc/36/70/01/662367001.db2.gz MMGOBYBCEKJALI-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C2)nn1 ZINC000970661388 662367048 /nfs/dbraw/zinc/36/70/48/662367048.db2.gz GHRCMTLNJVXZMQ-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC000970675809 662367963 /nfs/dbraw/zinc/36/79/63/662367963.db2.gz ONHVOVVZMSLTJU-SNVBAGLBSA-N 1 1 320.353 -1.345 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001039202207 662367990 /nfs/dbraw/zinc/36/79/90/662367990.db2.gz IWUFJQPDDCMOCF-VXGBXAGGSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000949365830 662368577 /nfs/dbraw/zinc/36/85/77/662368577.db2.gz ILYBMIARZZKYMI-GFCCVEGCSA-N 1 1 324.385 -1.253 20 0 DAADMO Cc1nn(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c(=O)n1C ZINC001021449998 662368656 /nfs/dbraw/zinc/36/86/56/662368656.db2.gz IOSFCXDVEIBZLZ-YHWZYXNKSA-N 1 1 323.397 -1.006 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC000970735720 662369311 /nfs/dbraw/zinc/36/93/11/662369311.db2.gz DNLAXUFGPKZBFJ-LLVKDONJSA-N 1 1 321.385 -1.087 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001010781668 662370007 /nfs/dbraw/zinc/37/00/07/662370007.db2.gz RUALMIURNQNNRA-ZDUSSCGKSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1oc(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)cc1=O ZINC001038197196 662371236 /nfs/dbraw/zinc/37/12/36/662371236.db2.gz FBEMUBLXRYBTFZ-SNVBAGLBSA-N 1 1 323.353 -1.192 20 0 DAADMO Cn1oc(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)cc1=O ZINC001038197196 662371239 /nfs/dbraw/zinc/37/12/39/662371239.db2.gz FBEMUBLXRYBTFZ-SNVBAGLBSA-N 1 1 323.353 -1.192 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517142 662371382 /nfs/dbraw/zinc/37/13/82/662371382.db2.gz RFVKRRLFTGNMGC-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517242 662371552 /nfs/dbraw/zinc/37/15/52/662371552.db2.gz RZWZOGZVCNQYQL-GHMZBOCLSA-N 1 1 307.358 -1.529 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C2)nn1 ZINC000970818919 662372146 /nfs/dbraw/zinc/37/21/46/662372146.db2.gz KSIZRUMVQZAHAX-SNVBAGLBSA-N 1 1 319.369 -1.143 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000970825989 662372674 /nfs/dbraw/zinc/37/26/74/662372674.db2.gz ZYKLNCSCXPELJN-VXGBXAGGSA-N 1 1 321.385 -1.089 20 0 DAADMO NC(=O)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001010804885 662373180 /nfs/dbraw/zinc/37/31/80/662373180.db2.gz WFKSMKLPBCCADZ-VXGBXAGGSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970845782 662373266 /nfs/dbraw/zinc/37/32/66/662373266.db2.gz NXRVPYFUMXPQRV-BDAKNGLRSA-N 1 1 307.354 -1.296 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1COC(=O)N1 ZINC001010816425 662373673 /nfs/dbraw/zinc/37/36/73/662373673.db2.gz NGJXKUCGVWABIY-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CN=NC2=O)C1 ZINC001021567106 662374089 /nfs/dbraw/zinc/37/40/89/662374089.db2.gz OSJXMBCGHRCOBJ-WDEREUQCSA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970942675 662376105 /nfs/dbraw/zinc/37/61/05/662376105.db2.gz UFLXRXALKIXMSD-BDAKNGLRSA-N 1 1 309.370 -1.352 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932904532 662376585 /nfs/dbraw/zinc/37/65/85/662376585.db2.gz MWKSACTUCZTXMW-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@@H]32)c1=O ZINC001021618213 662376776 /nfs/dbraw/zinc/37/67/76/662376776.db2.gz CQPQSFGFRDOHQX-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661064 662377180 /nfs/dbraw/zinc/37/71/80/662377180.db2.gz JYONCJDRLXDXIF-NXEZZACHSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661064 662377181 /nfs/dbraw/zinc/37/71/81/662377181.db2.gz JYONCJDRLXDXIF-NXEZZACHSA-N 1 1 322.369 -1.593 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000932908575 662377422 /nfs/dbraw/zinc/37/74/22/662377422.db2.gz VSXPQVYASKXMKU-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662127 662377429 /nfs/dbraw/zinc/37/74/29/662377429.db2.gz UAUUYBQZUFWFAR-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662127 662377431 /nfs/dbraw/zinc/37/74/31/662377431.db2.gz UAUUYBQZUFWFAR-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044887 662378064 /nfs/dbraw/zinc/37/80/64/662378064.db2.gz JRIKZISCMMKEDD-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044887 662378066 /nfs/dbraw/zinc/37/80/66/662378066.db2.gz JRIKZISCMMKEDD-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000971047577 662378268 /nfs/dbraw/zinc/37/82/68/662378268.db2.gz BSANVIFUENTYTM-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO COCCOCCS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000062212901 662379258 /nfs/dbraw/zinc/37/92/58/662379258.db2.gz KRUSWBCRZQDESC-UHFFFAOYSA-N 1 1 323.415 -1.657 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330113 662379263 /nfs/dbraw/zinc/37/92/63/662379263.db2.gz SUKHIUVRHRDVEH-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330113 662379264 /nfs/dbraw/zinc/37/92/64/662379264.db2.gz SUKHIUVRHRDVEH-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021730666 662379268 /nfs/dbraw/zinc/37/92/68/662379268.db2.gz PKPKTDRCPOHAGK-RYUDHWBXSA-N 1 1 324.381 -1.157 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@H](O)CC3(O)CCCC3)CCN21 ZINC000933093732 662379849 /nfs/dbraw/zinc/37/98/49/662379849.db2.gz PKQSTOPDPOWEDL-NWDGAFQWSA-N 1 1 319.427 -1.123 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCCC3)CCN21 ZINC000933093732 662379851 /nfs/dbraw/zinc/37/98/51/662379851.db2.gz PKQSTOPDPOWEDL-NWDGAFQWSA-N 1 1 319.427 -1.123 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971237815 662379891 /nfs/dbraw/zinc/37/98/91/662379891.db2.gz CAJKSJMWKSJRCM-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239214 662379902 /nfs/dbraw/zinc/37/99/02/662379902.db2.gz NYSCCWBPXSAOJB-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239214 662379904 /nfs/dbraw/zinc/37/99/04/662379904.db2.gz NYSCCWBPXSAOJB-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239215 662380136 /nfs/dbraw/zinc/38/01/36/662380136.db2.gz NYSCCWBPXSAOJB-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239215 662380137 /nfs/dbraw/zinc/38/01/37/662380137.db2.gz NYSCCWBPXSAOJB-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@](O)(C[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095662 662380232 /nfs/dbraw/zinc/38/02/32/662380232.db2.gz GCHSHTUTONMSDQ-AVGNSLFASA-N 1 1 319.427 -1.267 20 0 DAADMO C[C@](O)(C[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933095662 662380235 /nfs/dbraw/zinc/38/02/35/662380235.db2.gz GCHSHTUTONMSDQ-AVGNSLFASA-N 1 1 319.427 -1.267 20 0 DAADMO CC(C)OCC[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100891 662380544 /nfs/dbraw/zinc/38/05/44/662380544.db2.gz NZALUKBXQKIPJQ-VXGBXAGGSA-N 1 1 307.416 -1.003 20 0 DAADMO CC(C)OCC[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933100891 662380545 /nfs/dbraw/zinc/38/05/45/662380545.db2.gz NZALUKBXQKIPJQ-VXGBXAGGSA-N 1 1 307.416 -1.003 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1)C1CC1 ZINC000933102581 662380601 /nfs/dbraw/zinc/38/06/01/662380601.db2.gz ZUWIZBWDCIKYKI-VXGBXAGGSA-N 1 1 304.416 -1.724 20 0 DAADMO CCOC(=O)COCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100858 662380654 /nfs/dbraw/zinc/38/06/54/662380654.db2.gz NGOZCEOORBGCPP-JTQLQIEISA-N 1 1 307.372 -1.600 20 0 DAADMO CCOC(=O)COCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933100858 662380655 /nfs/dbraw/zinc/38/06/55/662380655.db2.gz NGOZCEOORBGCPP-JTQLQIEISA-N 1 1 307.372 -1.600 20 0 DAADMO CN(Cc1nnnn1C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271071 662380707 /nfs/dbraw/zinc/38/07/07/662380707.db2.gz JWVVBHDQHUVFKT-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnnn1C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271071 662380709 /nfs/dbraw/zinc/38/07/09/662380709.db2.gz JWVVBHDQHUVFKT-NWDGAFQWSA-N 1 1 323.401 -1.427 20 0 DAADMO O=C1OCCN1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933105807 662380712 /nfs/dbraw/zinc/38/07/12/662380712.db2.gz IVMRXKFFVFGGOR-JTQLQIEISA-N 1 1 304.372 -1.337 20 0 DAADMO O=C1OCCN1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933105807 662380714 /nfs/dbraw/zinc/38/07/14/662380714.db2.gz IVMRXKFFVFGGOR-JTQLQIEISA-N 1 1 304.372 -1.337 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001021816059 662381004 /nfs/dbraw/zinc/38/10/04/662381004.db2.gz BXHBXXMKYQUHCS-DTORHVGOSA-N 1 1 318.345 -1.569 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971376906 662381237 /nfs/dbraw/zinc/38/12/37/662381237.db2.gz QESALANDVFTNNG-ZJUUUORDSA-N 1 1 310.358 -1.220 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1=O ZINC000971376534 662381416 /nfs/dbraw/zinc/38/14/16/662381416.db2.gz KZKXYDDIZAGZMA-QWRGUYRKSA-N 1 1 322.369 -1.253 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971377190 662381467 /nfs/dbraw/zinc/38/14/67/662381467.db2.gz VECOXVDLNOAETA-LLVKDONJSA-N 1 1 320.357 -1.192 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1=O ZINC000971376533 662381507 /nfs/dbraw/zinc/38/15/07/662381507.db2.gz KZKXYDDIZAGZMA-MNOVXSKESA-N 1 1 322.369 -1.253 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001021899088 662382192 /nfs/dbraw/zinc/38/21/92/662382192.db2.gz IWHSOBSSUKGKCB-DOLQZWNJSA-N 1 1 307.358 -1.214 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001021927956 662383289 /nfs/dbraw/zinc/38/32/89/662383289.db2.gz KATMWYAJUIOIHP-YFKTTZPYSA-N 1 1 323.401 -1.162 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452604 662383505 /nfs/dbraw/zinc/38/35/05/662383505.db2.gz RTIRXKWFMBCSPM-WDEREUQCSA-N 1 1 308.342 -1.081 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001021990003 662384033 /nfs/dbraw/zinc/38/40/33/662384033.db2.gz HYOMFAXSPJUNEM-HLTSFMKQSA-N 1 1 321.345 -1.495 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001021987878 662384179 /nfs/dbraw/zinc/38/41/79/662384179.db2.gz ORGSPBDBNUHUFC-OCAPTIKFSA-N 1 1 307.318 -2.056 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001021968768 662384214 /nfs/dbraw/zinc/38/42/14/662384214.db2.gz AOKFJBMBEPPCSK-BBBLOLIVSA-N 1 1 308.342 -1.100 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)o1 ZINC001022043890 662384822 /nfs/dbraw/zinc/38/48/22/662384822.db2.gz OVOIWUPJTNXLNA-DTORHVGOSA-N 1 1 306.330 -1.119 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971566828 662385054 /nfs/dbraw/zinc/38/50/54/662385054.db2.gz JYVQKYBSYPUHDK-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001038213585 662385082 /nfs/dbraw/zinc/38/50/82/662385082.db2.gz NMQAWXFDJSUBTA-UWVGGRQHSA-N 1 1 311.342 -1.690 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001038213585 662385085 /nfs/dbraw/zinc/38/50/85/662385085.db2.gz NMQAWXFDJSUBTA-UWVGGRQHSA-N 1 1 311.342 -1.690 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)n[nH]1 ZINC001022061002 662385095 /nfs/dbraw/zinc/38/50/95/662385095.db2.gz ORODZSHNWHGCRW-PHIMTYICSA-N 1 1 321.385 -1.082 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011026375 662385130 /nfs/dbraw/zinc/38/51/30/662385130.db2.gz XYKVXRZUONQBAP-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001038213590 662385286 /nfs/dbraw/zinc/38/52/86/662385286.db2.gz NMQAWXFDJSUBTA-ZJUUUORDSA-N 1 1 311.342 -1.690 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001038213590 662385290 /nfs/dbraw/zinc/38/52/90/662385290.db2.gz NMQAWXFDJSUBTA-ZJUUUORDSA-N 1 1 311.342 -1.690 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971566827 662385381 /nfs/dbraw/zinc/38/53/81/662385381.db2.gz JYVQKYBSYPUHDK-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011026374 662385396 /nfs/dbraw/zinc/38/53/96/662385396.db2.gz XYKVXRZUONQBAP-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000971597571 662385510 /nfs/dbraw/zinc/38/55/10/662385510.db2.gz UWYGKZYIPKTLKR-SNVBAGLBSA-N 1 1 323.401 -1.011 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000971597571 662385514 /nfs/dbraw/zinc/38/55/14/662385514.db2.gz UWYGKZYIPKTLKR-SNVBAGLBSA-N 1 1 323.401 -1.011 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001022082894 662385773 /nfs/dbraw/zinc/38/57/73/662385773.db2.gz IKOVHEDHYCUDNM-AOOOYVTPSA-N 1 1 305.346 -1.279 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000971597570 662385810 /nfs/dbraw/zinc/38/58/10/662385810.db2.gz UWYGKZYIPKTLKR-JTQLQIEISA-N 1 1 323.401 -1.011 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC000971597570 662385811 /nfs/dbraw/zinc/38/58/11/662385811.db2.gz UWYGKZYIPKTLKR-JTQLQIEISA-N 1 1 323.401 -1.011 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022086055 662385916 /nfs/dbraw/zinc/38/59/16/662385916.db2.gz FSPMCIBEBJVWOV-AOOOYVTPSA-N 1 1 320.361 -1.493 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC000971602724 662385926 /nfs/dbraw/zinc/38/59/26/662385926.db2.gz NFLZJARWHQLOJG-SECBINFHSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC000971602724 662385927 /nfs/dbraw/zinc/38/59/27/662385927.db2.gz NFLZJARWHQLOJG-SECBINFHSA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971609390 662386364 /nfs/dbraw/zinc/38/63/64/662386364.db2.gz DDQQVVJWOXAETQ-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC(N)=O)[C@@H]3C2)C1 ZINC000971609390 662386365 /nfs/dbraw/zinc/38/63/65/662386365.db2.gz DDQQVVJWOXAETQ-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CSCC(=O)N1)[C@H]1C[N@@H+](C)CCN1C ZINC000933385551 662386585 /nfs/dbraw/zinc/38/65/85/662386585.db2.gz FIUKAYLLOQGWQD-OUAUKWLOSA-N 1 1 300.428 -1.032 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971640235 662387033 /nfs/dbraw/zinc/38/70/33/662387033.db2.gz DAVWTZSODVUIMA-VXGBXAGGSA-N 1 1 319.427 -1.065 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H]([N@@H+](C)CCO)C2)c1=O ZINC000971641940 662387698 /nfs/dbraw/zinc/38/76/98/662387698.db2.gz QYCIRBWXIIQXAS-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000971644389 662387784 /nfs/dbraw/zinc/38/77/84/662387784.db2.gz FVKQPCPVWDVEJQ-QMMMGPOBSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000971644389 662387785 /nfs/dbraw/zinc/38/77/85/662387785.db2.gz FVKQPCPVWDVEJQ-QMMMGPOBSA-N 1 1 303.326 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001022194759 662388232 /nfs/dbraw/zinc/38/82/32/662388232.db2.gz PWOIUIQHNKGGSZ-MXWKQRLJSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nnc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001038138344 662388265 /nfs/dbraw/zinc/38/82/65/662388265.db2.gz VKKLROXYPNDJEY-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001038138344 662388268 /nfs/dbraw/zinc/38/82/68/662388268.db2.gz VKKLROXYPNDJEY-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1)c1nnnn1C ZINC001022160050 662388315 /nfs/dbraw/zinc/38/83/15/662388315.db2.gz AMTQYWMSVYVAAB-YTWAJWBKSA-N 1 1 321.385 -1.014 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C2)o1 ZINC001022207321 662388368 /nfs/dbraw/zinc/38/83/68/662388368.db2.gz NEMADJCTOWRSEO-PHIMTYICSA-N 1 1 323.353 -1.026 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022218631 662388476 /nfs/dbraw/zinc/38/84/76/662388476.db2.gz PAJYRHNKELBLHA-OOZYFLPDSA-N 1 1 324.366 -1.127 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022218278 662388644 /nfs/dbraw/zinc/38/86/44/662388644.db2.gz LYVRDUYCYLTJQF-AEJSXWLSSA-N 1 1 318.337 -1.189 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000971690468 662388758 /nfs/dbraw/zinc/38/87/58/662388758.db2.gz SREIWIJENMPPSB-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC000947463319 662389063 /nfs/dbraw/zinc/38/90/63/662389063.db2.gz FKNPJDIKXUVGAR-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)cc1=O ZINC000971709229 662389108 /nfs/dbraw/zinc/38/91/08/662389108.db2.gz KJPMKTAKTJMGNX-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001022234128 662389135 /nfs/dbraw/zinc/38/91/35/662389135.db2.gz OTHYTLUAQSJSJP-AEJSXWLSSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001022225209 662389155 /nfs/dbraw/zinc/38/91/55/662389155.db2.gz BBFURCVHOINOFT-DTORHVGOSA-N 1 1 318.341 -1.646 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000971709827 662389214 /nfs/dbraw/zinc/38/92/14/662389214.db2.gz NHDZABLUNSOKCH-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](CS(C)(=O)=O)C1 ZINC000933644959 662390123 /nfs/dbraw/zinc/39/01/23/662390123.db2.gz XRAPEOWILGIQMI-CHWSQXEVSA-N 1 1 324.443 -1.329 20 0 DAADMO CN1CCN(C(=O)NCCNS(C)(=O)=O)CC[N@@H+](C)CC1 ZINC000891767610 662390220 /nfs/dbraw/zinc/39/02/20/662390220.db2.gz JVBUHWCSXGKCSR-UHFFFAOYSA-N 1 1 321.447 -1.576 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001022333246 662390257 /nfs/dbraw/zinc/39/02/57/662390257.db2.gz OVXATFFIMYPKQZ-AOOOYVTPSA-N 1 1 321.341 -1.290 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001038224292 662390476 /nfs/dbraw/zinc/39/04/76/662390476.db2.gz VOOJMOTWLUNVSC-ZJUUUORDSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1COC(=O)N1 ZINC001038224292 662390478 /nfs/dbraw/zinc/39/04/78/662390478.db2.gz VOOJMOTWLUNVSC-ZJUUUORDSA-N 1 1 324.337 -1.566 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)c1=O ZINC001022332687 662390777 /nfs/dbraw/zinc/39/07/77/662390777.db2.gz CEOAZIKTZLTJHR-DTORHVGOSA-N 1 1 321.345 -2.458 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000971817405 662390783 /nfs/dbraw/zinc/39/07/83/662390783.db2.gz FJWLPORETKBVTR-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)c1=O ZINC000971821525 662391197 /nfs/dbraw/zinc/39/11/97/662391197.db2.gz MTPIEPLXPBAVIN-MNOVXSKESA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)c1=O ZINC000971821527 662391481 /nfs/dbraw/zinc/39/14/81/662391481.db2.gz MTPIEPLXPBAVIN-WDEREUQCSA-N 1 1 322.369 -1.997 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)c2cn[nH]n2)C1)[C@H]1CCC(=O)NC1=O ZINC000971852263 662392311 /nfs/dbraw/zinc/39/23/11/662392311.db2.gz YDVHQDPQEIZJFD-WPRPVWTQSA-N 1 1 306.326 -1.244 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849621 662392340 /nfs/dbraw/zinc/39/23/40/662392340.db2.gz ZOKBZRDGCXRDTK-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849621 662392341 /nfs/dbraw/zinc/39/23/41/662392341.db2.gz ZOKBZRDGCXRDTK-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)c2cn[nH]n2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971852262 662392409 /nfs/dbraw/zinc/39/24/09/662392409.db2.gz YDVHQDPQEIZJFD-WCBMZHEXSA-N 1 1 306.326 -1.244 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cn(C)c(=O)cn3)C2)n1 ZINC001022458223 662393117 /nfs/dbraw/zinc/39/31/17/662393117.db2.gz ACOQPAZKJDLKEC-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001022490367 662394120 /nfs/dbraw/zinc/39/41/20/662394120.db2.gz AEVSBUAEMORUAV-DTORHVGOSA-N 1 1 319.325 -1.047 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001022545454 662394940 /nfs/dbraw/zinc/39/49/40/662394940.db2.gz VKJDRZUTXLPKLN-NGZCFLSTSA-N 1 1 307.358 -1.425 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC000971918949 662394953 /nfs/dbraw/zinc/39/49/53/662394953.db2.gz CYSQAOMDJFSNMW-QMMMGPOBSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC000971918949 662394954 /nfs/dbraw/zinc/39/49/54/662394954.db2.gz CYSQAOMDJFSNMW-QMMMGPOBSA-N 1 1 303.326 -1.016 20 0 DAADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971996805 662397699 /nfs/dbraw/zinc/39/76/99/662397699.db2.gz GZRYRYHCNGLOGQ-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001022559311 662396654 /nfs/dbraw/zinc/39/66/54/662396654.db2.gz MKJYKUBUKYICNX-PRJMDXOYSA-N 1 1 306.334 -1.655 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000971965123 662396791 /nfs/dbraw/zinc/39/67/91/662396791.db2.gz BNNFXBYDCWIYLX-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001022561056 662396919 /nfs/dbraw/zinc/39/69/19/662396919.db2.gz FHBJOZGRESYYTQ-KXUCPTDWSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)ncc1=O ZINC000971965673 662397324 /nfs/dbraw/zinc/39/73/24/662397324.db2.gz FUWNHCFYCPWDSI-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1)c1nnnn1C ZINC001022571921 662397354 /nfs/dbraw/zinc/39/73/54/662397354.db2.gz MQIGELJFCQOVAR-ZNSHCXBVSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001022587102 662397748 /nfs/dbraw/zinc/39/77/48/662397748.db2.gz OGGQCRDVIANPAP-KXUCPTDWSA-N 1 1 307.358 -1.432 20 0 DAADMO C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971997225 662397881 /nfs/dbraw/zinc/39/78/81/662397881.db2.gz JWVXXMRVDFJXFT-UWVGGRQHSA-N 1 1 319.383 -2.575 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971997225 662397884 /nfs/dbraw/zinc/39/78/84/662397884.db2.gz JWVXXMRVDFJXFT-UWVGGRQHSA-N 1 1 319.383 -2.575 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)c1nnnn1C ZINC001022628439 662398301 /nfs/dbraw/zinc/39/83/01/662398301.db2.gz QFCJDEKFDGKHKB-RBXMUDONSA-N 1 1 308.346 -1.811 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001022636010 662398711 /nfs/dbraw/zinc/39/87/11/662398711.db2.gz MIBNJONVTBWQCA-DTORHVGOSA-N 1 1 323.357 -1.753 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001022653426 662398941 /nfs/dbraw/zinc/39/89/41/662398941.db2.gz WJPNVVQCODZLBE-OCAPTIKFSA-N 1 1 306.330 -1.300 20 0 DAADMO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972075481 662399150 /nfs/dbraw/zinc/39/91/50/662399150.db2.gz MEYHCHMXAIHTIZ-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972076380 662399185 /nfs/dbraw/zinc/39/91/85/662399185.db2.gz SCQRARXEIARBIS-MNOVXSKESA-N 1 1 311.386 -2.175 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076754 662399189 /nfs/dbraw/zinc/39/91/89/662399189.db2.gz UQAWLMFVTYSURD-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972076754 662399191 /nfs/dbraw/zinc/39/91/91/662399191.db2.gz UQAWLMFVTYSURD-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCN(C)C3=O)C2)n1 ZINC000972112793 662400232 /nfs/dbraw/zinc/40/02/32/662400232.db2.gz ULLGMKFJMHYLIP-UWVGGRQHSA-N 1 1 307.358 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCCC3)C2)n1 ZINC000972111080 662400500 /nfs/dbraw/zinc/40/05/00/662400500.db2.gz CVCSNMQMTXIBCA-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCCC3)C2)n1 ZINC000972111080 662400503 /nfs/dbraw/zinc/40/05/03/662400503.db2.gz CVCSNMQMTXIBCA-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001022693293 662400534 /nfs/dbraw/zinc/40/05/34/662400534.db2.gz BQJRTTSPYOEZGC-DTORHVGOSA-N 1 1 319.325 -1.047 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC000972116972 662400965 /nfs/dbraw/zinc/40/09/65/662400965.db2.gz REBFEVYLMSKELS-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC000972116962 662401245 /nfs/dbraw/zinc/40/12/45/662401245.db2.gz REBFEVYLMSKELS-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)O1 ZINC001022703707 662401271 /nfs/dbraw/zinc/40/12/71/662401271.db2.gz OJNLABPLGUOIRL-GISOBZBCSA-N 1 1 309.326 -1.161 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022725869 662401834 /nfs/dbraw/zinc/40/18/34/662401834.db2.gz HBLOUMZWTNJXDM-MKHNBGRSSA-N 1 1 319.369 -1.134 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001022720082 662401962 /nfs/dbraw/zinc/40/19/62/662401962.db2.gz FYGZKBJCVVJCLZ-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022718567 662402059 /nfs/dbraw/zinc/40/20/59/662402059.db2.gz CNUXJDHSZWPKJH-ZRUFSTJUSA-N 1 1 321.385 -1.329 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1CCNC1=O ZINC000972193083 662402292 /nfs/dbraw/zinc/40/22/92/662402292.db2.gz PBCUESDNUKTJMP-MWLCHTKSSA-N 1 1 305.338 -1.195 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001022727152 662402656 /nfs/dbraw/zinc/40/26/56/662402656.db2.gz NRLVCWDYJDVYSW-YTWAJWBKSA-N 1 1 321.385 -1.059 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001022727267 662402669 /nfs/dbraw/zinc/40/26/69/662402669.db2.gz RMUJVPAOAKIZQJ-YTWAJWBKSA-N 1 1 321.385 -1.152 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197628 662402775 /nfs/dbraw/zinc/40/27/75/662402775.db2.gz DTPXBOGJNWPAOZ-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198644 662403395 /nfs/dbraw/zinc/40/33/95/662403395.db2.gz IMOIYWMRMPDCMG-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217796 662404387 /nfs/dbraw/zinc/40/43/87/662404387.db2.gz WYMIWHYVXIKBLU-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972217796 662404389 /nfs/dbraw/zinc/40/43/89/662404389.db2.gz WYMIWHYVXIKBLU-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214323 662404400 /nfs/dbraw/zinc/40/44/00/662404400.db2.gz XIEWSCDQHBUAMU-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217208 662404406 /nfs/dbraw/zinc/40/44/06/662404406.db2.gz SVGHORPFJPWMAO-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)C(N)=O)C2)CCO1 ZINC000972217208 662404408 /nfs/dbraw/zinc/40/44/08/662404408.db2.gz SVGHORPFJPWMAO-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214316 662404649 /nfs/dbraw/zinc/40/46/49/662404649.db2.gz XIEWSCDQHBUAMU-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214320 662404722 /nfs/dbraw/zinc/40/47/22/662404722.db2.gz XIEWSCDQHBUAMU-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)S1(=O)=O ZINC000888980532 662405163 /nfs/dbraw/zinc/40/51/63/662405163.db2.gz GEDLLVFWMCFFPO-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)S1(=O)=O ZINC000888980532 662405172 /nfs/dbraw/zinc/40/51/72/662405172.db2.gz GEDLLVFWMCFFPO-GFCCVEGCSA-N 1 1 318.443 -1.274 20 0 DAADMO Cc1nn(CC(=O)N2CCN(C)CC[N@@H+](C)CC2)c(=O)n1C ZINC000888980840 662405357 /nfs/dbraw/zinc/40/53/57/662405357.db2.gz RQDBDJUFXURXAA-UHFFFAOYSA-N 1 1 310.402 -1.404 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022775637 662405379 /nfs/dbraw/zinc/40/53/79/662405379.db2.gz BFHUHIXICVTCDI-WCABBAIRSA-N 1 1 305.338 -1.006 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001022782642 662406376 /nfs/dbraw/zinc/40/63/76/662406376.db2.gz DVFWQHVSONEUHI-XKSSXDPKSA-N 1 1 321.341 -1.850 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972302610 662406721 /nfs/dbraw/zinc/40/67/21/662406721.db2.gz WINZWOQFCIFFMY-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972302610 662406726 /nfs/dbraw/zinc/40/67/26/662406726.db2.gz WINZWOQFCIFFMY-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001011158621 662407249 /nfs/dbraw/zinc/40/72/49/662407249.db2.gz ARYCDKJEDFETMT-WDEREUQCSA-N 1 1 309.370 -1.710 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001011158619 662407271 /nfs/dbraw/zinc/40/72/71/662407271.db2.gz ARYCDKJEDFETMT-MNOVXSKESA-N 1 1 309.370 -1.710 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)C1 ZINC000972353615 662408719 /nfs/dbraw/zinc/40/87/19/662408719.db2.gz TWNJHXOZHXYDEW-HNNXBMFYSA-N 1 1 311.382 -1.240 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)C1 ZINC000972353615 662408720 /nfs/dbraw/zinc/40/87/20/662408720.db2.gz TWNJHXOZHXYDEW-HNNXBMFYSA-N 1 1 311.382 -1.240 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972380053 662408956 /nfs/dbraw/zinc/40/89/56/662408956.db2.gz CLEVOYYQAPZWNN-ZDUSSCGKSA-N 1 1 310.358 -1.377 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972380053 662408960 /nfs/dbraw/zinc/40/89/60/662408960.db2.gz CLEVOYYQAPZWNN-ZDUSSCGKSA-N 1 1 310.358 -1.377 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972381594 662409002 /nfs/dbraw/zinc/40/90/02/662409002.db2.gz RGDSZLWSDYNYLQ-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972381594 662409003 /nfs/dbraw/zinc/40/90/03/662409003.db2.gz RGDSZLWSDYNYLQ-CYBMUJFWSA-N 1 1 310.358 -1.641 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949671541 662409017 /nfs/dbraw/zinc/40/90/17/662409017.db2.gz ATFSQYIJSNHMKV-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949671541 662409018 /nfs/dbraw/zinc/40/90/18/662409018.db2.gz ATFSQYIJSNHMKV-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011177266 662409151 /nfs/dbraw/zinc/40/91/51/662409151.db2.gz YHDJGZLANGGCKG-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972385064 662409698 /nfs/dbraw/zinc/40/96/98/662409698.db2.gz TXCOFJNNIJPCQS-WDEREUQCSA-N 1 1 321.385 -1.356 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000972385064 662409702 /nfs/dbraw/zinc/40/97/02/662409702.db2.gz TXCOFJNNIJPCQS-WDEREUQCSA-N 1 1 321.385 -1.356 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972386580 662410006 /nfs/dbraw/zinc/41/00/06/662410006.db2.gz QFHOITOGDIAZJZ-SNVBAGLBSA-N 1 1 321.381 -1.017 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972386580 662410008 /nfs/dbraw/zinc/41/00/08/662410008.db2.gz QFHOITOGDIAZJZ-SNVBAGLBSA-N 1 1 321.381 -1.017 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001022844675 662410012 /nfs/dbraw/zinc/41/00/12/662410012.db2.gz NPECDVBKCVSJHX-VECWZWDRSA-N 1 1 323.393 -1.053 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1)C1CC(=O)NC(=O)C1 ZINC001022849642 662410861 /nfs/dbraw/zinc/41/08/61/662410861.db2.gz XGYMEPWFUXZFJP-DTORHVGOSA-N 1 1 307.310 -1.141 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)C2)o1 ZINC001022861852 662412154 /nfs/dbraw/zinc/41/21/54/662412154.db2.gz IMYOYLPDBRBZTF-DTORHVGOSA-N 1 1 322.325 -1.333 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022861871 662412239 /nfs/dbraw/zinc/41/22/39/662412239.db2.gz JOBIFTXJCPVREU-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001022868968 662413357 /nfs/dbraw/zinc/41/33/57/662413357.db2.gz FPICMNKWVBAXRP-AOOOYVTPSA-N 1 1 308.342 -1.486 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001022868968 662413363 /nfs/dbraw/zinc/41/33/63/662413363.db2.gz FPICMNKWVBAXRP-AOOOYVTPSA-N 1 1 308.342 -1.486 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1 ZINC001022871105 662413744 /nfs/dbraw/zinc/41/37/44/662413744.db2.gz YFEDZWJTSXWIFY-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CCC3)C2)C1 ZINC001022871105 662413748 /nfs/dbraw/zinc/41/37/48/662413748.db2.gz YFEDZWJTSXWIFY-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1 ZINC001022898627 662415820 /nfs/dbraw/zinc/41/58/20/662415820.db2.gz HNMBOAUDBCBSNE-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C2)C1 ZINC001022898627 662415824 /nfs/dbraw/zinc/41/58/24/662415824.db2.gz HNMBOAUDBCBSNE-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001011216373 662416006 /nfs/dbraw/zinc/41/60/06/662416006.db2.gz LKWRVYIFXGOALB-GFCCVEGCSA-N 1 1 322.369 -1.190 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001011216373 662416009 /nfs/dbraw/zinc/41/60/09/662416009.db2.gz LKWRVYIFXGOALB-GFCCVEGCSA-N 1 1 322.369 -1.190 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972443567 662416428 /nfs/dbraw/zinc/41/64/28/662416428.db2.gz JEDXMPHZXPJOCQ-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972443567 662416433 /nfs/dbraw/zinc/41/64/33/662416433.db2.gz JEDXMPHZXPJOCQ-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000972472449 662418658 /nfs/dbraw/zinc/41/86/58/662418658.db2.gz OCECZDUBRXDOAB-WDEREUQCSA-N 1 1 324.381 -1.389 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022956172 662419927 /nfs/dbraw/zinc/41/99/27/662419927.db2.gz UGQOTRAGNHGUPM-HRDYMLBCSA-N 1 1 306.326 -1.611 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001011239720 662420036 /nfs/dbraw/zinc/42/00/36/662420036.db2.gz CYRUIWALYINLOW-WDEREUQCSA-N 1 1 310.354 -1.994 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888983818 662420408 /nfs/dbraw/zinc/42/04/08/662420408.db2.gz QSFUBWKUKRNPFF-ZDUSSCGKSA-N 1 1 314.430 -1.175 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022976821 662420868 /nfs/dbraw/zinc/42/08/68/662420868.db2.gz JQZLCYKRLRVFFE-AOOOYVTPSA-N 1 1 304.358 -1.077 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccn(C)c2=O)C1 ZINC001022989941 662421576 /nfs/dbraw/zinc/42/15/76/662421576.db2.gz WAPCDFRSVULSDO-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001023006416 662422457 /nfs/dbraw/zinc/42/24/57/662422457.db2.gz IKMUFCVSRXVTSX-OUAUKWLOSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972493096 662422508 /nfs/dbraw/zinc/42/25/08/662422508.db2.gz BAURRCXVNPSZDW-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972493096 662422510 /nfs/dbraw/zinc/42/25/10/662422510.db2.gz BAURRCXVNPSZDW-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972502543 662426065 /nfs/dbraw/zinc/42/60/65/662426065.db2.gz RKPCRSHPAVXXBV-WFASDCNBSA-N 1 1 311.382 -1.097 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972502543 662426067 /nfs/dbraw/zinc/42/60/67/662426067.db2.gz RKPCRSHPAVXXBV-WFASDCNBSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001023065031 662426760 /nfs/dbraw/zinc/42/67/60/662426760.db2.gz YNMUFHPNKMSMEF-AOOOYVTPSA-N 1 1 307.310 -1.037 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001023064271 662427201 /nfs/dbraw/zinc/42/72/01/662427201.db2.gz GIMODCAQNXUATK-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507359 662427589 /nfs/dbraw/zinc/42/75/89/662427589.db2.gz YYGGEUJLSXGDLT-MFKMUULPSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507359 662427590 /nfs/dbraw/zinc/42/75/90/662427590.db2.gz YYGGEUJLSXGDLT-MFKMUULPSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507358 662427857 /nfs/dbraw/zinc/42/78/57/662427857.db2.gz YYGGEUJLSXGDLT-GXFFZTMASA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507358 662427859 /nfs/dbraw/zinc/42/78/59/662427859.db2.gz YYGGEUJLSXGDLT-GXFFZTMASA-N 1 1 310.358 -1.492 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023115504 662431205 /nfs/dbraw/zinc/43/12/05/662431205.db2.gz NFZZQRFRLJHZOF-AXFHLTTASA-N 1 1 324.385 -1.032 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023115504 662431209 /nfs/dbraw/zinc/43/12/09/662431209.db2.gz NFZZQRFRLJHZOF-AXFHLTTASA-N 1 1 324.385 -1.032 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023109487 662431427 /nfs/dbraw/zinc/43/14/27/662431427.db2.gz NGNRYBHAVMRYGH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023109487 662431428 /nfs/dbraw/zinc/43/14/28/662431428.db2.gz NGNRYBHAVMRYGH-UTUOFQBUSA-N 1 1 323.353 -1.958 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001023130598 662432855 /nfs/dbraw/zinc/43/28/55/662432855.db2.gz WFGUBCGBTFNOIG-OCAPTIKFSA-N 1 1 320.313 -1.803 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)n(C)c1=O ZINC001023138610 662434022 /nfs/dbraw/zinc/43/40/22/662434022.db2.gz UYYRKBAXKHCPKQ-AOOOYVTPSA-N 1 1 319.369 -1.097 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023166344 662435348 /nfs/dbraw/zinc/43/53/48/662435348.db2.gz PKWJPDBWJARSIJ-AEJSXWLSSA-N 1 1 322.373 -1.510 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001023167590 662436395 /nfs/dbraw/zinc/43/63/95/662436395.db2.gz KBOGXQRITNJPHG-YNEHKIRRSA-N 1 1 322.365 -1.084 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001023167154 662436626 /nfs/dbraw/zinc/43/66/26/662436626.db2.gz FERGUZXFOLLGAR-YNEHKIRRSA-N 1 1 322.365 -1.084 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O ZINC001023192387 662437905 /nfs/dbraw/zinc/43/79/05/662437905.db2.gz KZZFJOWWGNUEKS-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023192332 662437955 /nfs/dbraw/zinc/43/79/55/662437955.db2.gz JZIVJLJHOJCVST-NTZNESFSSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1O ZINC001023193287 662437986 /nfs/dbraw/zinc/43/79/86/662437986.db2.gz SSFCVXNAILYVGB-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001023193287 662437998 /nfs/dbraw/zinc/43/79/98/662437998.db2.gz SSFCVXNAILYVGB-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001023193287 662438003 /nfs/dbraw/zinc/43/80/03/662438003.db2.gz SSFCVXNAILYVGB-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001023191914 662438053 /nfs/dbraw/zinc/43/80/53/662438053.db2.gz AVFSUTKOULYGGC-JHJVBQTASA-N 1 1 321.381 -1.184 20 0 DAADMO COCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000972525780 662438387 /nfs/dbraw/zinc/43/83/87/662438387.db2.gz CGESQCAIIVHYIE-FZMZJTMJSA-N 1 1 312.370 -1.383 20 0 DAADMO COCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000972525780 662438389 /nfs/dbraw/zinc/43/83/89/662438389.db2.gz CGESQCAIIVHYIE-FZMZJTMJSA-N 1 1 312.370 -1.383 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972526654 662438621 /nfs/dbraw/zinc/43/86/21/662438621.db2.gz LWSRCKOKXVODPB-RISCZKNCSA-N 1 1 312.370 -1.647 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972526654 662438629 /nfs/dbraw/zinc/43/86/29/662438629.db2.gz LWSRCKOKXVODPB-RISCZKNCSA-N 1 1 312.370 -1.647 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O ZINC001023216594 662441250 /nfs/dbraw/zinc/44/12/50/662441250.db2.gz IRJSDKFALXGFIY-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1O ZINC001023212504 662441403 /nfs/dbraw/zinc/44/14/03/662441403.db2.gz GYEGJUHEZULVLL-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001023212493 662441683 /nfs/dbraw/zinc/44/16/83/662441683.db2.gz GTXJJYZHWZTVST-KGYLQXTDSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001023216420 662441849 /nfs/dbraw/zinc/44/18/49/662441849.db2.gz GXQURJWISVGWHK-FRRDWIJNSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001023212973 662441901 /nfs/dbraw/zinc/44/19/01/662441901.db2.gz WBJREHSAEHWGHU-IJLUTSLNSA-N 1 1 322.369 -1.789 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023208603 662442038 /nfs/dbraw/zinc/44/20/38/662442038.db2.gz UPKLXTMSHDAOFU-GMTAPVOTSA-N 1 1 323.353 -1.226 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023212348 662442090 /nfs/dbraw/zinc/44/20/90/662442090.db2.gz BNYNAWWEAKDGTG-KXUCPTDWSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001023212348 662442092 /nfs/dbraw/zinc/44/20/92/662442092.db2.gz BNYNAWWEAKDGTG-KXUCPTDWSA-N 1 1 308.342 -1.800 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528829 662442901 /nfs/dbraw/zinc/44/29/01/662442901.db2.gz TUDMTNSCQUYFKM-FZMZJTMJSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000972528829 662442904 /nfs/dbraw/zinc/44/29/04/662442904.db2.gz TUDMTNSCQUYFKM-FZMZJTMJSA-N 1 1 311.382 -1.064 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001023280845 662444490 /nfs/dbraw/zinc/44/44/90/662444490.db2.gz AAVSIOIEMVVSIO-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2O)C1 ZINC001023280845 662444491 /nfs/dbraw/zinc/44/44/91/662444491.db2.gz AAVSIOIEMVVSIO-OPRDCNLKSA-N 1 1 314.342 -3.120 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972542066 662444524 /nfs/dbraw/zinc/44/45/24/662444524.db2.gz UXHGYHQKJLOUFQ-SCZZXKLOSA-N 1 1 310.354 -1.554 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2O)C1 ZINC001023279625 662444614 /nfs/dbraw/zinc/44/46/14/662444614.db2.gz WIGCDXPFUKOIRG-GMTAPVOTSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2O)C1 ZINC001023279625 662444616 /nfs/dbraw/zinc/44/46/16/662444616.db2.gz WIGCDXPFUKOIRG-GMTAPVOTSA-N 1 1 317.361 -1.247 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023279060 662444835 /nfs/dbraw/zinc/44/48/35/662444835.db2.gz LTSDQDKAMFWFAI-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023281076 662444901 /nfs/dbraw/zinc/44/49/01/662444901.db2.gz CZTSTKGNYKKEBT-ZXRHIESASA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023281076 662444904 /nfs/dbraw/zinc/44/49/04/662444904.db2.gz CZTSTKGNYKKEBT-ZXRHIESASA-N 1 1 311.382 -1.029 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023279437 662444932 /nfs/dbraw/zinc/44/49/32/662444932.db2.gz SXJUYMMSONOIKE-GMTAPVOTSA-N 1 1 317.411 -1.632 20 0 DAADMO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023279437 662444935 /nfs/dbraw/zinc/44/49/35/662444935.db2.gz SXJUYMMSONOIKE-GMTAPVOTSA-N 1 1 317.411 -1.632 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023281901 662445143 /nfs/dbraw/zinc/44/51/43/662445143.db2.gz QITOPKHFSREYEJ-UTUOFQBUSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@H]2O)C1 ZINC001023281901 662445145 /nfs/dbraw/zinc/44/51/45/662445145.db2.gz QITOPKHFSREYEJ-UTUOFQBUSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)C1 ZINC001023281859 662445308 /nfs/dbraw/zinc/44/53/08/662445308.db2.gz OYRXVTOIIPJIKQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2O)C1 ZINC001023281859 662445312 /nfs/dbraw/zinc/44/53/12/662445312.db2.gz OYRXVTOIIPJIKQ-UPJWGTAASA-N 1 1 311.382 -1.195 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000972545517 662445564 /nfs/dbraw/zinc/44/55/64/662445564.db2.gz RQSNLYKVDGVNRW-GXSJLCMTSA-N 1 1 320.353 -1.233 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)n1 ZINC000972545526 662445668 /nfs/dbraw/zinc/44/56/68/662445668.db2.gz RQSNLYKVDGVNRW-ONGXEEELSA-N 1 1 320.353 -1.233 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972553944 662446393 /nfs/dbraw/zinc/44/63/93/662446393.db2.gz FISARJJTTHFQDU-NSHDSACASA-N 1 1 310.354 -1.548 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)nn1 ZINC001023364986 662446554 /nfs/dbraw/zinc/44/65/54/662446554.db2.gz UPKAARAHBMAODT-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)nn1 ZINC001023364986 662446558 /nfs/dbraw/zinc/44/65/58/662446558.db2.gz UPKAARAHBMAODT-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972560038 662447234 /nfs/dbraw/zinc/44/72/34/662447234.db2.gz OODAPPHUDDRQMV-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)c1 ZINC001023401550 662447570 /nfs/dbraw/zinc/44/75/70/662447570.db2.gz LPKTVUUIQTYBJM-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001023423959 662447915 /nfs/dbraw/zinc/44/79/15/662447915.db2.gz KQWFOBFXILYSGM-JTQLQIEISA-N 1 1 307.354 -1.293 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001023455426 662448323 /nfs/dbraw/zinc/44/83/23/662448323.db2.gz ZPXGLCWSCPIANF-LPWJVIDDSA-N 1 1 311.382 -1.053 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2nc[nH]n2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972579682 662450597 /nfs/dbraw/zinc/45/05/97/662450597.db2.gz QZKQJZHXUJRPCI-RKDXNWHRSA-N 1 1 306.326 -1.244 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023540063 662451038 /nfs/dbraw/zinc/45/10/38/662451038.db2.gz BULUNSPJUNUNNG-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](CCn3cncn3)C2)n1 ZINC001023540112 662451187 /nfs/dbraw/zinc/45/11/87/662451187.db2.gz CPEVTVLSQNWEHW-NSHDSACASA-N 1 1 319.373 -1.056 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnnn3C)C2)n1 ZINC001023543660 662451678 /nfs/dbraw/zinc/45/16/78/662451678.db2.gz PJDVFCGBTWBXOU-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001023543660 662451680 /nfs/dbraw/zinc/45/16/80/662451680.db2.gz PJDVFCGBTWBXOU-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001023564428 662452930 /nfs/dbraw/zinc/45/29/30/662452930.db2.gz NDUUXKHJNROMPP-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001023566261 662452954 /nfs/dbraw/zinc/45/29/54/662452954.db2.gz LYRHLFITSKLCTN-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001023566261 662452955 /nfs/dbraw/zinc/45/29/55/662452955.db2.gz LYRHLFITSKLCTN-PWSUYJOCSA-N 1 1 321.385 -1.175 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001023567055 662452967 /nfs/dbraw/zinc/45/29/67/662452967.db2.gz SRJVLROOGLGVBK-ZYHUDNBSSA-N 1 1 323.397 -1.225 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CNC(=O)N1 ZINC001023566130 662453445 /nfs/dbraw/zinc/45/34/45/662453445.db2.gz JMHBZTAAMPNFMY-NWDGAFQWSA-N 1 1 321.385 -1.212 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)nn1 ZINC001023590341 662454010 /nfs/dbraw/zinc/45/40/10/662454010.db2.gz QGWGQYXHYAWOGZ-CKYFFXLPSA-N 1 1 322.369 -1.932 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000972601306 662454928 /nfs/dbraw/zinc/45/49/28/662454928.db2.gz GVMJMATXMIZWEJ-CQSZACIVSA-N 1 1 310.354 -1.139 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611739 662455269 /nfs/dbraw/zinc/45/52/69/662455269.db2.gz LYPFFFVBDLDKJK-JSGCOSHPSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000972611739 662455270 /nfs/dbraw/zinc/45/52/70/662455270.db2.gz LYPFFFVBDLDKJK-JSGCOSHPSA-N 1 1 324.385 -1.253 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972612073 662455308 /nfs/dbraw/zinc/45/53/08/662455308.db2.gz PDFKHCYUYMVICY-AWEZNQCLSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972612073 662455309 /nfs/dbraw/zinc/45/53/09/662455309.db2.gz PDFKHCYUYMVICY-AWEZNQCLSA-N 1 1 324.385 -1.251 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023624284 662455726 /nfs/dbraw/zinc/45/57/26/662455726.db2.gz SBBFAJBAPZBXPR-GMTAPVOTSA-N 1 1 307.354 -1.195 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023627231 662455732 /nfs/dbraw/zinc/45/57/32/662455732.db2.gz UPVSNDDZQIAURS-GMTAPVOTSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)C1 ZINC001023627232 662455782 /nfs/dbraw/zinc/45/57/82/662455782.db2.gz UPVSNDDZQIAURS-HBNTYKKESA-N 1 1 307.354 -1.337 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000935214274 662455974 /nfs/dbraw/zinc/45/59/74/662455974.db2.gz QFAXWWJNUHALCE-OUAUKWLOSA-N 1 1 309.374 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648169 662456771 /nfs/dbraw/zinc/45/67/71/662456771.db2.gz SEOJHNWMCYYMRP-VIFPVBQESA-N 1 1 310.354 -1.647 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023648169 662456774 /nfs/dbraw/zinc/45/67/74/662456774.db2.gz SEOJHNWMCYYMRP-VIFPVBQESA-N 1 1 310.354 -1.647 20 0 DAADMO Cc1cc(C)n(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)n1 ZINC000972624079 662456889 /nfs/dbraw/zinc/45/68/89/662456889.db2.gz BISMQEFKDMORBO-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cc(C)n(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1 ZINC000972624079 662456890 /nfs/dbraw/zinc/45/68/90/662456890.db2.gz BISMQEFKDMORBO-LBPRGKRZSA-N 1 1 321.381 -1.122 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001023706266 662457263 /nfs/dbraw/zinc/45/72/63/662457263.db2.gz NPYGNQWHJQFIHS-OUAUKWLOSA-N 1 1 312.370 -1.968 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001023701914 662457574 /nfs/dbraw/zinc/45/75/74/662457574.db2.gz XYZADDGSLKWKQG-JTQLQIEISA-N 1 1 320.353 -1.148 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC000972635909 662457597 /nfs/dbraw/zinc/45/75/97/662457597.db2.gz MJPCBIPYAFPYJE-LLVKDONJSA-N 1 1 307.354 -1.349 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC000972635909 662457600 /nfs/dbraw/zinc/45/76/00/662457600.db2.gz MJPCBIPYAFPYJE-LLVKDONJSA-N 1 1 307.354 -1.349 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665962 662458339 /nfs/dbraw/zinc/45/83/39/662458339.db2.gz BVFXCZPAPPUYPJ-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665962 662458342 /nfs/dbraw/zinc/45/83/42/662458342.db2.gz BVFXCZPAPPUYPJ-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001023763443 662458424 /nfs/dbraw/zinc/45/84/24/662458424.db2.gz NFSVKSDCOKRJKZ-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)nn1 ZINC001023763033 662458585 /nfs/dbraw/zinc/45/85/85/662458585.db2.gz ABCLFGZNEVLPQZ-SNVBAGLBSA-N 1 1 310.358 -1.803 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001023754094 662458715 /nfs/dbraw/zinc/45/87/15/662458715.db2.gz UQWRUHWHFKTAON-GHMZBOCLSA-N 1 1 305.400 -1.501 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001023766625 662458741 /nfs/dbraw/zinc/45/87/41/662458741.db2.gz VETGOWJLFIPQIO-NSHDSACASA-N 1 1 323.397 -1.088 20 0 DAADMO CNC(=O)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972672782 662458801 /nfs/dbraw/zinc/45/88/01/662458801.db2.gz AHLONDUQJYNCQS-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023782624 662459086 /nfs/dbraw/zinc/45/90/86/662459086.db2.gz VLQNUNWXXOKZAG-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023782634 662459147 /nfs/dbraw/zinc/45/91/47/662459147.db2.gz VPLISGRRQZJYSE-NQBHXWOUSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023782392 662459165 /nfs/dbraw/zinc/45/91/65/662459165.db2.gz MNYVOYDWPUMQMQ-YUSALJHKSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)C1 ZINC001023782053 662459247 /nfs/dbraw/zinc/45/92/47/662459247.db2.gz BRGBCOMLHONRAP-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023782053 662459249 /nfs/dbraw/zinc/45/92/49/662459249.db2.gz BRGBCOMLHONRAP-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023782053 662459251 /nfs/dbraw/zinc/45/92/51/662459251.db2.gz BRGBCOMLHONRAP-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023777398 662459327 /nfs/dbraw/zinc/45/93/27/662459327.db2.gz IGPWIXFZOLJLLB-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023777398 662459330 /nfs/dbraw/zinc/45/93/30/662459330.db2.gz IGPWIXFZOLJLLB-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972683575 662459549 /nfs/dbraw/zinc/45/95/49/662459549.db2.gz KDSXRVAVNBNFBO-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972683575 662459552 /nfs/dbraw/zinc/45/95/52/662459552.db2.gz KDSXRVAVNBNFBO-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001023785237 662459698 /nfs/dbraw/zinc/45/96/98/662459698.db2.gz HEYNKEIZBODHEQ-FRRDWIJNSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2O)C1 ZINC001023783318 662459773 /nfs/dbraw/zinc/45/97/73/662459773.db2.gz GTKFLKZIAYRUIL-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972681097 662459870 /nfs/dbraw/zinc/45/98/70/662459870.db2.gz RTQQOJNONPWTGV-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2O)C1 ZINC001023783307 662459935 /nfs/dbraw/zinc/45/99/35/662459935.db2.gz GPWLCMLPOULVOK-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000972681098 662459996 /nfs/dbraw/zinc/45/99/96/662459996.db2.gz RTQQOJNONPWTGV-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2O)C1 ZINC001023788078 662460232 /nfs/dbraw/zinc/46/02/32/662460232.db2.gz SVLWVMWPQYUXIS-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001023785238 662460241 /nfs/dbraw/zinc/46/02/41/662460241.db2.gz HEYNKEIZBODHEQ-JHJVBQTASA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001023791408 662460894 /nfs/dbraw/zinc/46/08/94/662460894.db2.gz XXKBFUVCGCUOGD-CYZMBNFOSA-N 1 1 321.381 -1.327 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)nn1 ZINC000947301108 662460938 /nfs/dbraw/zinc/46/09/38/662460938.db2.gz NZERFQUUNFHZSL-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)nn1 ZINC000947301108 662460939 /nfs/dbraw/zinc/46/09/39/662460939.db2.gz NZERFQUUNFHZSL-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023799437 662461169 /nfs/dbraw/zinc/46/11/69/662461169.db2.gz DERRHBFWJCAYDS-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1O ZINC001023799559 662461187 /nfs/dbraw/zinc/46/11/87/662461187.db2.gz GIMITIDGAGVPDI-YRGRVCCFSA-N 1 1 324.381 -1.104 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 ZINC001023828198 662461457 /nfs/dbraw/zinc/46/14/57/662461457.db2.gz AYMDCZFAUKQUDG-JTQLQIEISA-N 1 1 320.361 -1.775 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023795691 662461566 /nfs/dbraw/zinc/46/15/66/662461566.db2.gz NZYFTXUKSJJOBG-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001023891308 662463508 /nfs/dbraw/zinc/46/35/08/662463508.db2.gz OVPKEMNDWKBXLV-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000972717508 662464548 /nfs/dbraw/zinc/46/45/48/662464548.db2.gz HGSKILRLJLMVFC-VHSXEESVSA-N 1 1 306.370 -1.072 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000972717508 662464551 /nfs/dbraw/zinc/46/45/51/662464551.db2.gz HGSKILRLJLMVFC-VHSXEESVSA-N 1 1 306.370 -1.072 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000972717506 662464782 /nfs/dbraw/zinc/46/47/82/662464782.db2.gz HGSKILRLJLMVFC-NXEZZACHSA-N 1 1 306.370 -1.072 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000972717506 662464786 /nfs/dbraw/zinc/46/47/86/662464786.db2.gz HGSKILRLJLMVFC-NXEZZACHSA-N 1 1 306.370 -1.072 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1=O ZINC000972716916 662464972 /nfs/dbraw/zinc/46/49/72/662464972.db2.gz CDUKLENKLZFGIR-VIFPVBQESA-N 1 1 311.342 -2.102 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1=O ZINC000972716916 662464977 /nfs/dbraw/zinc/46/49/77/662464977.db2.gz CDUKLENKLZFGIR-VIFPVBQESA-N 1 1 311.342 -2.102 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3cnnn3C)C2)n1 ZINC001023965224 662465061 /nfs/dbraw/zinc/46/50/61/662465061.db2.gz DVTKHJVYYLVSOZ-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972717350 662465234 /nfs/dbraw/zinc/46/52/34/662465234.db2.gz GAOXVPCLHQBVFU-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)CC[N@H+]1C ZINC001023969800 662465446 /nfs/dbraw/zinc/46/54/46/662465446.db2.gz WMGOYBSHUBPCJJ-CNVPUSNMSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@H]2O)CC[N@H+]1C ZINC001023972455 662465639 /nfs/dbraw/zinc/46/56/39/662465639.db2.gz SKARAFBCVSOVEY-CNVPUSNMSA-N 1 1 323.353 -1.289 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3COC(=O)N3)C2)n1 ZINC001023965738 662465694 /nfs/dbraw/zinc/46/56/94/662465694.db2.gz OJFKARHFFWLLKI-ZJUUUORDSA-N 1 1 323.357 -1.353 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CC[N@H+]1C ZINC001023979031 662465741 /nfs/dbraw/zinc/46/57/41/662465741.db2.gz PDXBAUIQXWHSOC-LNFKQOIKSA-N 1 1 312.370 -2.110 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972719923 662465867 /nfs/dbraw/zinc/46/58/67/662465867.db2.gz DYVSFSNAHSRKBO-UWVGGRQHSA-N 1 1 320.353 -1.055 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001023971169 662465959 /nfs/dbraw/zinc/46/59/59/662465959.db2.gz KBEMNXCNNHKRMU-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722758 662465990 /nfs/dbraw/zinc/46/59/90/662465990.db2.gz ZFWORRKIZCNIEP-VIFPVBQESA-N 1 1 306.326 -1.444 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001024037304 662466326 /nfs/dbraw/zinc/46/63/26/662466326.db2.gz BHJWMHKFJKMBFS-UMSGYPCISA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023999036 662466536 /nfs/dbraw/zinc/46/65/36/662466536.db2.gz RGRDLBXBYWSOET-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023999036 662466537 /nfs/dbraw/zinc/46/65/37/662466537.db2.gz RGRDLBXBYWSOET-OPRDCNLKSA-N 1 1 321.324 -1.340 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)Cn3nccn3)C2)n1 ZINC001024005782 662466540 /nfs/dbraw/zinc/46/65/40/662466540.db2.gz UPEKIEXMIUYPEN-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1 ZINC001024088947 662467690 /nfs/dbraw/zinc/46/76/90/662467690.db2.gz GUWJNQXDFQCSDR-UTUOFQBUSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C)CC3)C2)C1 ZINC001024088947 662467692 /nfs/dbraw/zinc/46/76/92/662467692.db2.gz GUWJNQXDFQCSDR-UTUOFQBUSA-N 1 1 311.382 -1.195 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794938 662467815 /nfs/dbraw/zinc/46/78/15/662467815.db2.gz VNCCZTJOYDBNAI-NXEZZACHSA-N 1 1 307.358 -1.612 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794938 662467818 /nfs/dbraw/zinc/46/78/18/662467818.db2.gz VNCCZTJOYDBNAI-NXEZZACHSA-N 1 1 307.358 -1.612 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800010 662468347 /nfs/dbraw/zinc/46/83/47/662468347.db2.gz QBUPDZDBZWUTTC-UWVGGRQHSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800010 662468349 /nfs/dbraw/zinc/46/83/49/662468349.db2.gz QBUPDZDBZWUTTC-UWVGGRQHSA-N 1 1 309.374 -1.366 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001024128998 662469418 /nfs/dbraw/zinc/46/94/18/662469418.db2.gz HXZCIWCBINNRMW-VHSXEESVSA-N 1 1 322.373 -1.780 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)O1 ZINC001024387274 662472722 /nfs/dbraw/zinc/47/27/22/662472722.db2.gz LTYVZWGPUBWVRK-OJAKKHQRSA-N 1 1 311.382 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2O)O1 ZINC001024387274 662472724 /nfs/dbraw/zinc/47/27/24/662472724.db2.gz LTYVZWGPUBWVRK-OJAKKHQRSA-N 1 1 311.382 -1.197 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024428394 662473961 /nfs/dbraw/zinc/47/39/61/662473961.db2.gz IAXWNNMMHFGXJS-GMTAPVOTSA-N 1 1 323.353 -1.369 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001024546383 662477719 /nfs/dbraw/zinc/47/77/19/662477719.db2.gz JGMBMLLUWDTWKC-GMTAPVOTSA-N 1 1 310.358 -1.554 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001024550076 662478342 /nfs/dbraw/zinc/47/83/42/662478342.db2.gz WSWXGOUFWMHSGP-MVWJERBFSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024550076 662478347 /nfs/dbraw/zinc/47/83/47/662478347.db2.gz WSWXGOUFWMHSGP-MVWJERBFSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001024550076 662478351 /nfs/dbraw/zinc/47/83/51/662478351.db2.gz WSWXGOUFWMHSGP-MVWJERBFSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000935498530 662479475 /nfs/dbraw/zinc/47/94/75/662479475.db2.gz HEWYUBUOHOYQLU-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000935498530 662479480 /nfs/dbraw/zinc/47/94/80/662479480.db2.gz HEWYUBUOHOYQLU-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)c1=O ZINC001024593157 662479910 /nfs/dbraw/zinc/47/99/10/662479910.db2.gz FHOCQVFUWGOABY-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)c1=O ZINC001024593157 662479913 /nfs/dbraw/zinc/47/99/13/662479913.db2.gz FHOCQVFUWGOABY-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001024626332 662479993 /nfs/dbraw/zinc/47/99/93/662479993.db2.gz CJAYWXNUDGSAOE-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001024626332 662479994 /nfs/dbraw/zinc/47/99/94/662479994.db2.gz CJAYWXNUDGSAOE-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)C1CC2(C1)NC(=O)NC2=O ZINC001024700704 662481434 /nfs/dbraw/zinc/48/14/34/662481434.db2.gz DOPQVHNJALQCOP-VTWZXRTESA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)C1CC2(C1)NC(=O)NC2=O ZINC001024700702 662481766 /nfs/dbraw/zinc/48/17/66/662481766.db2.gz DOPQVHNJALQCOP-LOIXOFCESA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947307337 662482915 /nfs/dbraw/zinc/48/29/15/662482915.db2.gz ZCOKPQAVWUDANE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001024774245 662483769 /nfs/dbraw/zinc/48/37/69/662483769.db2.gz JONRTIXCQOQQMV-HBNTYKKESA-N 1 1 322.369 -1.552 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)CC1=O ZINC001038313728 662483922 /nfs/dbraw/zinc/48/39/22/662483922.db2.gz XVYKOKSVDUIJRJ-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)CC1=O ZINC001038313728 662483924 /nfs/dbraw/zinc/48/39/24/662483924.db2.gz XVYKOKSVDUIJRJ-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2O)C1 ZINC001024777919 662484127 /nfs/dbraw/zinc/48/41/27/662484127.db2.gz MKUGCLDMXTTXOO-MVWJERBFSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972952542 662484604 /nfs/dbraw/zinc/48/46/04/662484604.db2.gz LLPFYZLSPUCQRG-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO COCC[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812214 662484801 /nfs/dbraw/zinc/48/48/01/662484801.db2.gz LGNIFBMQPSSLIZ-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972952541 662484817 /nfs/dbraw/zinc/48/48/17/662484817.db2.gz LLPFYZLSPUCQRG-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001024795267 662484843 /nfs/dbraw/zinc/48/48/43/662484843.db2.gz DFVJKQZGJSMMEI-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)c(=O)[nH]c1=O ZINC001024795267 662484844 /nfs/dbraw/zinc/48/48/44/662484844.db2.gz DFVJKQZGJSMMEI-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001024919456 662487260 /nfs/dbraw/zinc/48/72/60/662487260.db2.gz XYBKSGIQAGHSDM-UNOFRPGUSA-N 1 1 309.366 -1.443 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024988856 662488758 /nfs/dbraw/zinc/48/87/58/662488758.db2.gz QTCLQWGHYBDNBA-GMTAPVOTSA-N 1 1 322.369 -1.634 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001025014326 662491135 /nfs/dbraw/zinc/49/11/35/662491135.db2.gz RAFMBLAXWYYQGI-AAVRWANBSA-N 1 1 324.425 -1.137 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001025014326 662491141 /nfs/dbraw/zinc/49/11/41/662491141.db2.gz RAFMBLAXWYYQGI-AAVRWANBSA-N 1 1 324.425 -1.137 20 0 DAADMO Cn1nnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001025048253 662492474 /nfs/dbraw/zinc/49/24/74/662492474.db2.gz ZKKCRQDJHBAYCK-SECBINFHSA-N 1 1 320.361 -1.482 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CNC(=O)N2)nn1 ZINC001025061407 662493470 /nfs/dbraw/zinc/49/34/70/662493470.db2.gz YEBAMKIOPFXEOW-VXGBXAGGSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001025060580 662493483 /nfs/dbraw/zinc/49/34/83/662493483.db2.gz JYRJVRGHUOPISE-MNOVXSKESA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001025060579 662493560 /nfs/dbraw/zinc/49/35/60/662493560.db2.gz JYRJVRGHUOPISE-GHMZBOCLSA-N 1 1 321.385 -1.033 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CCOCC2)C(C)(C)C1 ZINC000973055411 662493985 /nfs/dbraw/zinc/49/39/85/662493985.db2.gz ZPXVXHXDCDXURE-LBPRGKRZSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CCOCC2)C(C)(C)C1 ZINC000973055411 662493986 /nfs/dbraw/zinc/49/39/86/662493986.db2.gz ZPXVXHXDCDXURE-LBPRGKRZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001025061428 662494098 /nfs/dbraw/zinc/49/40/98/662494098.db2.gz YOJBILBXRAQOOT-MNOVXSKESA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)C1(C(N)=O)CC1 ZINC001025065392 662494182 /nfs/dbraw/zinc/49/41/82/662494182.db2.gz QLGWASFHNBSHEW-SNVBAGLBSA-N 1 1 321.385 -1.054 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001025105883 662496398 /nfs/dbraw/zinc/49/63/98/662496398.db2.gz NUMPNJCGTDFGIC-OPRDCNLKSA-N 1 1 310.358 -1.554 20 0 DAADMO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001025105883 662496400 /nfs/dbraw/zinc/49/64/00/662496400.db2.gz NUMPNJCGTDFGIC-OPRDCNLKSA-N 1 1 310.358 -1.554 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc[nH]3)C2)C1 ZINC001025108804 662497890 /nfs/dbraw/zinc/49/78/90/662497890.db2.gz ZOKDAASCSKHZOR-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025108804 662497891 /nfs/dbraw/zinc/49/78/91/662497891.db2.gz ZOKDAASCSKHZOR-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)C1 ZINC001025108804 662497893 /nfs/dbraw/zinc/49/78/93/662497893.db2.gz ZOKDAASCSKHZOR-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025108804 662497894 /nfs/dbraw/zinc/49/78/94/662497894.db2.gz ZOKDAASCSKHZOR-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)C1 ZINC001025108804 662497896 /nfs/dbraw/zinc/49/78/96/662497896.db2.gz ZOKDAASCSKHZOR-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348841 662499801 /nfs/dbraw/zinc/49/98/01/662499801.db2.gz JHFQNZRKFOJDSG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007348841 662499805 /nfs/dbraw/zinc/49/98/05/662499805.db2.gz JHFQNZRKFOJDSG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001007368796 662500336 /nfs/dbraw/zinc/50/03/36/662500336.db2.gz KYLHOWBCDPQVIX-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001007368800 662500399 /nfs/dbraw/zinc/50/03/99/662500399.db2.gz KYLHOWBCDPQVIX-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001025131608 662501241 /nfs/dbraw/zinc/50/12/41/662501241.db2.gz SPBRYKWGIMVZSF-OPRDCNLKSA-N 1 1 323.357 -2.537 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1O ZINC001025180110 662502985 /nfs/dbraw/zinc/50/29/85/662502985.db2.gz AIOYMLBALPEKGP-VXGBXAGGSA-N 1 1 319.321 -1.129 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)C1 ZINC001025180167 662502991 /nfs/dbraw/zinc/50/29/91/662502991.db2.gz CQYRZNCCHCPVNX-JHJVBQTASA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973123242 662503080 /nfs/dbraw/zinc/50/30/80/662503080.db2.gz BVWWWUPJXVBLAT-JCIQBVFBSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973123242 662503083 /nfs/dbraw/zinc/50/30/83/662503083.db2.gz BVWWWUPJXVBLAT-JCIQBVFBSA-N 1 1 324.381 -1.798 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973127481 662503274 /nfs/dbraw/zinc/50/32/74/662503274.db2.gz FMEHTQUMWSPRFF-GMTAPVOTSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973127481 662503278 /nfs/dbraw/zinc/50/32/78/662503278.db2.gz FMEHTQUMWSPRFF-GMTAPVOTSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973123191 662503382 /nfs/dbraw/zinc/50/33/82/662503382.db2.gz AQYXFYRBNIYUDH-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973123191 662503384 /nfs/dbraw/zinc/50/33/84/662503384.db2.gz AQYXFYRBNIYUDH-IJLUTSLNSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccncn3)C2)C1 ZINC001025228790 662504083 /nfs/dbraw/zinc/50/40/83/662504083.db2.gz UDQVJOIBAAOKCO-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025236115 662504571 /nfs/dbraw/zinc/50/45/71/662504571.db2.gz NVEHMSSGOAEQNH-GMTAPVOTSA-N 1 1 309.326 -1.535 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)C1 ZINC001025238529 662505235 /nfs/dbraw/zinc/50/52/35/662505235.db2.gz YOGBAEPXBJWYOF-MVWJERBFSA-N 1 1 323.353 -1.287 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025239270 662505790 /nfs/dbraw/zinc/50/57/90/662505790.db2.gz BJOPJESYOGKSNP-YUSALJHKSA-N 1 1 323.353 -1.145 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025246547 662505963 /nfs/dbraw/zinc/50/59/63/662505963.db2.gz IHOALDCGFBFESX-GHMZBOCLSA-N 1 1 320.309 -1.424 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025244639 662506025 /nfs/dbraw/zinc/50/60/25/662506025.db2.gz IAQVLTIJYAKAEV-GHMZBOCLSA-N 1 1 320.309 -1.424 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000973233049 662507664 /nfs/dbraw/zinc/50/76/64/662507664.db2.gz ZLEDBRABUIABKK-NAKRPEOUSA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973293682 662509935 /nfs/dbraw/zinc/50/99/35/662509935.db2.gz TVQDJGJKRMIBKN-OOCWMUITSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000973295513 662509968 /nfs/dbraw/zinc/50/99/68/662509968.db2.gz NFPKLROXSFUNAF-BJDJZHNGSA-N 1 1 323.397 -1.275 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000973294033 662510102 /nfs/dbraw/zinc/51/01/02/662510102.db2.gz WWGWUXWHHZYERQ-DCAQKATOSA-N 1 1 307.358 -1.612 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973292489 662510238 /nfs/dbraw/zinc/51/02/38/662510238.db2.gz HZDBBDNFSLLVHJ-SRVKXCTJSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973308493 662510405 /nfs/dbraw/zinc/51/04/05/662510405.db2.gz RKSIREFSPSDLDL-IJLUTSLNSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000973330694 662511094 /nfs/dbraw/zinc/51/10/94/662511094.db2.gz XBLYRLKQBBWAGV-GWOFURMSSA-N 1 1 321.385 -1.073 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000935928765 662512259 /nfs/dbraw/zinc/51/22/59/662512259.db2.gz LRTLAPSKHOQAHS-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1O ZINC001025379735 662515325 /nfs/dbraw/zinc/51/53/25/662515325.db2.gz VFLAYEKLEHCQMH-NXEZZACHSA-N 1 1 314.342 -3.118 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000973466576 662516892 /nfs/dbraw/zinc/51/68/92/662516892.db2.gz ROAZNLJBRFSWKO-GMTAPVOTSA-N 1 1 321.385 -1.071 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025383829 662516961 /nfs/dbraw/zinc/51/69/61/662516961.db2.gz STUNFAHTELIMOV-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973465416 662517028 /nfs/dbraw/zinc/51/70/28/662517028.db2.gz JIFMFUXPALTPEE-BJDJZHNGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025386495 662517104 /nfs/dbraw/zinc/51/71/04/662517104.db2.gz CQHJAEMYXFMVNU-HBNTYKKESA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)O1 ZINC001025392486 662518079 /nfs/dbraw/zinc/51/80/79/662518079.db2.gz HKOWYUQJBOOHAG-ZYUZMQFOSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)O1 ZINC001025392486 662518081 /nfs/dbraw/zinc/51/80/81/662518081.db2.gz HKOWYUQJBOOHAG-ZYUZMQFOSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973531733 662519776 /nfs/dbraw/zinc/51/97/76/662519776.db2.gz KREJCHNALZFWPI-KKOKHZNYSA-N 1 1 323.397 -1.085 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001019258793 662520894 /nfs/dbraw/zinc/52/08/94/662520894.db2.gz RODDUNHZJDQTQS-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000973592334 662520964 /nfs/dbraw/zinc/52/09/64/662520964.db2.gz MGMFDWUCTKLWER-FGNRJIRKSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000973592334 662520966 /nfs/dbraw/zinc/52/09/66/662520966.db2.gz MGMFDWUCTKLWER-FGNRJIRKSA-N 1 1 324.381 -1.560 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)C1=O ZINC001019262360 662521154 /nfs/dbraw/zinc/52/11/54/662521154.db2.gz QPDIIGHVZWUJRF-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001025691304 662526037 /nfs/dbraw/zinc/52/60/37/662526037.db2.gz DQVXFMOGUWLEIZ-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719347 662527212 /nfs/dbraw/zinc/52/72/12/662527212.db2.gz JQZIUNJOALDXAX-ZUWCUPBKSA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025719317 662527676 /nfs/dbraw/zinc/52/76/76/662527676.db2.gz HDMNZUUKWRDAEI-OBPIAQAESA-N 1 1 308.382 -1.748 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025708836 662527982 /nfs/dbraw/zinc/52/79/82/662527982.db2.gz FCIFVWWQTKOHGF-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001025735093 662528625 /nfs/dbraw/zinc/52/86/25/662528625.db2.gz AQSSDTBDIXBPSI-YCGPCKTQSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001025735160 662528777 /nfs/dbraw/zinc/52/87/77/662528777.db2.gz IWRRBVFDVGOMSV-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001025735345 662528851 /nfs/dbraw/zinc/52/88/51/662528851.db2.gz UGJAOBNFHGFBGT-IIEKFROSSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025737362 662529221 /nfs/dbraw/zinc/52/92/21/662529221.db2.gz KLRAHNWPMKMWHE-WCCFOQQASA-N 1 1 307.350 -1.126 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025746801 662529457 /nfs/dbraw/zinc/52/94/57/662529457.db2.gz MRQQBROCECORNQ-ODXJTPSBSA-N 1 1 324.425 -1.160 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COCCN2C)C1=O ZINC001025746775 662529900 /nfs/dbraw/zinc/52/99/00/662529900.db2.gz GPJKVUTXCBBAQK-ZUWCUPBKSA-N 1 1 322.409 -1.406 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001025746803 662529973 /nfs/dbraw/zinc/52/99/73/662529973.db2.gz MRQQBROCECORNQ-RGDJUOJXSA-N 1 1 324.425 -1.160 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001025763269 662530388 /nfs/dbraw/zinc/53/03/88/662530388.db2.gz RGFWFPIZGFJNQO-WZQZWDJBSA-N 1 1 322.365 -1.192 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001025763266 662530543 /nfs/dbraw/zinc/53/05/43/662530543.db2.gz RGFWFPIZGFJNQO-KLIJAQQISA-N 1 1 322.365 -1.192 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C ZINC001025747420 662530552 /nfs/dbraw/zinc/53/05/52/662530552.db2.gz LCHDBQCNAUZMFI-BNDIWNMDSA-N 1 1 310.398 -1.502 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1)[NH+](C)C ZINC001025739327 662530635 /nfs/dbraw/zinc/53/06/35/662530635.db2.gz VXDMCMKKVIEEHU-OUAUKWLOSA-N 1 1 324.385 -1.625 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001025763962 662530978 /nfs/dbraw/zinc/53/09/78/662530978.db2.gz JPDPOCSUHOJYND-QUARPLMYSA-N 1 1 310.354 -1.382 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025764371 662531081 /nfs/dbraw/zinc/53/10/81/662531081.db2.gz QQTFKAAMGWLTJH-KZZRWZIVSA-N 1 1 322.365 -1.238 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764390 662531175 /nfs/dbraw/zinc/53/11/75/662531175.db2.gz RNHLVVBBZCZSGK-LALMQGGXSA-N 1 1 322.321 -2.054 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764389 662531226 /nfs/dbraw/zinc/53/12/26/662531226.db2.gz RNHLVVBBZCZSGK-KSFAHDSMSA-N 1 1 322.321 -2.054 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025763814 662531242 /nfs/dbraw/zinc/53/12/42/662531242.db2.gz ACDQEORRZQURPT-XXFSISAASA-N 1 1 308.338 -1.580 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001025783327 662531639 /nfs/dbraw/zinc/53/16/39/662531639.db2.gz URRMDCFRCQUIGJ-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025790217 662531865 /nfs/dbraw/zinc/53/18/65/662531865.db2.gz DSPNQKLRDPFHMU-SGYGPSCOSA-N 1 1 320.393 -1.164 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001025797640 662532170 /nfs/dbraw/zinc/53/21/70/662532170.db2.gz UBDDFCNNAFKGEP-HOTHFUQBSA-N 1 1 319.361 -1.126 20 0 DAADMO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797899 662532322 /nfs/dbraw/zinc/53/23/22/662532322.db2.gz ZOAHDWQPYSGVOU-DKBOKBLXSA-N 1 1 322.409 -1.358 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798648 662532442 /nfs/dbraw/zinc/53/24/42/662532442.db2.gz CBDSWKSRPJPBRT-YCGPCKTQSA-N 1 1 308.382 -1.619 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N1C(=O)CCC1=O ZINC001025808257 662532940 /nfs/dbraw/zinc/53/29/40/662532940.db2.gz HQNAMTNARZOBLS-ZRDGONRFSA-N 1 1 309.366 -1.049 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001025808254 662533096 /nfs/dbraw/zinc/53/30/96/662533096.db2.gz HQNAMTNARZOBLS-MOUCOTEISA-N 1 1 309.366 -1.049 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001025812349 662533240 /nfs/dbraw/zinc/53/32/40/662533240.db2.gz BKGPMUPXYBBQJP-IIEKFROSSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808841 662533404 /nfs/dbraw/zinc/53/34/04/662533404.db2.gz POCUFNNNSIEUJZ-HMUNZLOLSA-N 1 1 306.366 -1.600 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025812157 662533414 /nfs/dbraw/zinc/53/34/14/662533414.db2.gz PBCPYKTVWNZPQQ-BYNIDDHOSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001025815451 662533461 /nfs/dbraw/zinc/53/34/61/662533461.db2.gz PRTYIEKMFVNQTM-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025811924 662533583 /nfs/dbraw/zinc/53/35/83/662533583.db2.gz PSDHFVIXQVLXSY-HHHUMZEGSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001025808424 662533602 /nfs/dbraw/zinc/53/36/02/662533602.db2.gz PJDNBBWTBQMUIS-JLDUMIBSSA-N 1 1 320.393 -1.258 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1=O ZINC001025808812 662533663 /nfs/dbraw/zinc/53/36/63/662533663.db2.gz HGROUFDCDRWMQA-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1=O ZINC001025808818 662533668 /nfs/dbraw/zinc/53/36/68/662533668.db2.gz HGROUFDCDRWMQA-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025812009 662533671 /nfs/dbraw/zinc/53/36/71/662533671.db2.gz DZOUOYLFMNVKMS-ZTVLKNOQSA-N 1 1 306.366 -1.553 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC001025812348 662533677 /nfs/dbraw/zinc/53/36/77/662533677.db2.gz BKGPMUPXYBBQJP-HMUNZLOLSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808847 662533862 /nfs/dbraw/zinc/53/38/62/662533862.db2.gz POCUFNNNSIEUJZ-ZTVLKNOQSA-N 1 1 306.366 -1.600 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815287 662533872 /nfs/dbraw/zinc/53/38/72/662533872.db2.gz YJWBJCWOBOSDGF-BNDIWNMDSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC001025815682 662533942 /nfs/dbraw/zinc/53/39/42/662533942.db2.gz BSMIOSGLFGKSIM-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C)C1=O ZINC001025815682 662533944 /nfs/dbraw/zinc/53/39/44/662533944.db2.gz BSMIOSGLFGKSIM-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001025811841 662533981 /nfs/dbraw/zinc/53/39/81/662533981.db2.gz VWLPFEJWKRVMLY-HHHUMZEGSA-N 1 1 311.382 -1.040 20 0 DAADMO CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001025811841 662533982 /nfs/dbraw/zinc/53/39/82/662533982.db2.gz VWLPFEJWKRVMLY-HHHUMZEGSA-N 1 1 311.382 -1.040 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025812007 662533992 /nfs/dbraw/zinc/53/39/92/662533992.db2.gz DZOUOYLFMNVKMS-IIEKFROSSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCCNC1=O ZINC001025815245 662533996 /nfs/dbraw/zinc/53/39/96/662533996.db2.gz MVQYNNCKQDPJIX-GCHJQGSQSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001025821258 662534137 /nfs/dbraw/zinc/53/41/37/662534137.db2.gz GEOFQIVROSHIHW-HKLXJQGRSA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001025820733 662534146 /nfs/dbraw/zinc/53/41/46/662534146.db2.gz LYFAQMAXQIPAJJ-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001025820733 662534149 /nfs/dbraw/zinc/53/41/49/662534149.db2.gz LYFAQMAXQIPAJJ-HKLXJQGRSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001025820734 662534285 /nfs/dbraw/zinc/53/42/85/662534285.db2.gz LYFAQMAXQIPAJJ-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001025820734 662534287 /nfs/dbraw/zinc/53/42/87/662534287.db2.gz LYFAQMAXQIPAJJ-OQEOFVATSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814188 662534402 /nfs/dbraw/zinc/53/44/02/662534402.db2.gz WWWKQYBYXDREER-XAVNFNALSA-N 1 1 309.326 -2.495 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814188 662534406 /nfs/dbraw/zinc/53/44/06/662534406.db2.gz WWWKQYBYXDREER-XAVNFNALSA-N 1 1 309.326 -2.495 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001025815820 662534431 /nfs/dbraw/zinc/53/44/31/662534431.db2.gz GICBEFNGIRBMDM-OQEOFVATSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814551 662534459 /nfs/dbraw/zinc/53/44/59/662534459.db2.gz JZFIRDZVQNSSCS-NURVWSNCSA-N 1 1 309.366 -1.275 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814196 662534497 /nfs/dbraw/zinc/53/44/97/662534497.db2.gz XSVGTWNCRGCKQJ-GOVZDWNOSA-N 1 1 310.354 -1.334 20 0 DAADMO CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025815776 662534567 /nfs/dbraw/zinc/53/45/67/662534567.db2.gz YOMBAXTXSUCCNR-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814197 662534684 /nfs/dbraw/zinc/53/46/84/662534684.db2.gz XSVGTWNCRGCKQJ-RWHSBRQSSA-N 1 1 310.354 -1.334 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025814131 662534805 /nfs/dbraw/zinc/53/48/05/662534805.db2.gz NLDKALKBCFQHLQ-XPORZQOISA-N 1 1 322.365 -1.333 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025820652 662534813 /nfs/dbraw/zinc/53/48/13/662534813.db2.gz BBEGWILOGISYKY-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001025873071 662534986 /nfs/dbraw/zinc/53/49/86/662534986.db2.gz XKFRBJRCMFAXPZ-KKJSVHSVSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001025873071 662534989 /nfs/dbraw/zinc/53/49/89/662534989.db2.gz XKFRBJRCMFAXPZ-KKJSVHSVSA-N 1 1 302.396 -1.152 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025880882 662535096 /nfs/dbraw/zinc/53/50/96/662535096.db2.gz BSLFLGPNZJRBFO-OVKLUEDNSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001025849130 662535112 /nfs/dbraw/zinc/53/51/12/662535112.db2.gz NXWOHMVAVFNLFG-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001025849132 662535266 /nfs/dbraw/zinc/53/52/66/662535266.db2.gz NXWOHMVAVFNLFG-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001025849158 662535302 /nfs/dbraw/zinc/53/53/02/662535302.db2.gz PEMOTCQAILVORI-OQEOFVATSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001025879972 662535477 /nfs/dbraw/zinc/53/54/77/662535477.db2.gz FQVHPSIADUVNJE-TUYISWAISA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001025879972 662535482 /nfs/dbraw/zinc/53/54/82/662535482.db2.gz FQVHPSIADUVNJE-TUYISWAISA-N 1 1 308.382 -1.035 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001025849131 662535501 /nfs/dbraw/zinc/53/55/01/662535501.db2.gz NXWOHMVAVFNLFG-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001025848880 662535504 /nfs/dbraw/zinc/53/55/04/662535504.db2.gz KVHNYPUDZPFVJG-IIEKFROSSA-N 1 1 308.382 -1.177 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001019975986 662536842 /nfs/dbraw/zinc/53/68/42/662536842.db2.gz RCGUKHJLQRPORO-KYZUINATSA-N 1 1 322.329 -1.361 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194464 662537992 /nfs/dbraw/zinc/53/79/92/662537992.db2.gz RUYPNEUTBSDIHA-MGCOHNPYSA-N 1 1 313.383 -1.404 20 0 DAADMO C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001020336306 662538660 /nfs/dbraw/zinc/53/86/60/662538660.db2.gz XKEJGKZQVYIFGK-LMLFDSFASA-N 1 1 321.385 -1.138 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC(=O)N1 ZINC001020336305 662538798 /nfs/dbraw/zinc/53/87/98/662538798.db2.gz XKEJGKZQVYIFGK-GWOFURMSSA-N 1 1 321.385 -1.138 20 0 DAADMO CC[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919521 662539055 /nfs/dbraw/zinc/53/90/55/662539055.db2.gz NOJJXRWANYARLX-TUYISWAISA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919521 662539059 /nfs/dbraw/zinc/53/90/59/662539059.db2.gz NOJJXRWANYARLX-TUYISWAISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922206 662539074 /nfs/dbraw/zinc/53/90/74/662539074.db2.gz QNLRVXBXGCIARU-JEFOQBOOSA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001025919667 662539105 /nfs/dbraw/zinc/53/91/05/662539105.db2.gz TYLVGLFULGABCP-AHRFKUBPSA-N 1 1 319.365 -1.207 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001025921705 662539271 /nfs/dbraw/zinc/53/92/71/662539271.db2.gz CIYVWYQDYLOVTE-UZSKJHCISA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919520 662539285 /nfs/dbraw/zinc/53/92/85/662539285.db2.gz NOJJXRWANYARLX-MOUCOTEISA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC(=O)N1 ZINC001025919520 662539287 /nfs/dbraw/zinc/53/92/87/662539287.db2.gz NOJJXRWANYARLX-MOUCOTEISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922204 662539369 /nfs/dbraw/zinc/53/93/69/662539369.db2.gz QNLRVXBXGCIARU-FJSXFWSSSA-N 1 1 306.366 -1.553 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001025921873 662539401 /nfs/dbraw/zinc/53/94/01/662539401.db2.gz IVKVORFEEMJYRB-JEFOQBOOSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CNC(=O)C1 ZINC001025922203 662539431 /nfs/dbraw/zinc/53/94/31/662539431.db2.gz QNLRVXBXGCIARU-DDRZYQNWSA-N 1 1 306.366 -1.553 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937289 662539637 /nfs/dbraw/zinc/53/96/37/662539637.db2.gz JYRZVSAIYAIKEC-ZXPJVPCYSA-N 1 1 320.393 -1.177 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001025937289 662539640 /nfs/dbraw/zinc/53/96/40/662539640.db2.gz JYRZVSAIYAIKEC-ZXPJVPCYSA-N 1 1 320.393 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC001025935077 662539670 /nfs/dbraw/zinc/53/96/70/662539670.db2.gz CTYJAIKLVGCIMU-MOUCOTEISA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1C ZINC001025935077 662539671 /nfs/dbraw/zinc/53/96/71/662539671.db2.gz CTYJAIKLVGCIMU-MOUCOTEISA-N 1 1 308.382 -1.083 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939181 662539678 /nfs/dbraw/zinc/53/96/78/662539678.db2.gz AEHMSDQZUDOTON-GPTQDWHKSA-N 1 1 320.349 -2.026 20 0 DAADMO NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001025936714 662539750 /nfs/dbraw/zinc/53/97/50/662539750.db2.gz BNGKUXGIGDXXIC-SVPLCASGSA-N 1 1 320.393 -1.223 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025939246 662539778 /nfs/dbraw/zinc/53/97/78/662539778.db2.gz GXQHVLKLVULBLS-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001025941129 662540188 /nfs/dbraw/zinc/54/01/88/662540188.db2.gz RMYAWZLBMGDFFY-JZRPKSSGSA-N 1 1 318.381 -1.164 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1=O ZINC001025958946 662540227 /nfs/dbraw/zinc/54/02/27/662540227.db2.gz RMVLNFYZQDFAMU-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001025952876 662540241 /nfs/dbraw/zinc/54/02/41/662540241.db2.gz CFYROSFFRFABLP-XJBAAKRRSA-N 1 1 320.393 -1.116 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943940 662540243 /nfs/dbraw/zinc/54/02/43/662540243.db2.gz RXLYNDFYUDBNOL-PREPNJAASA-N 1 1 323.397 -1.467 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958867 662540252 /nfs/dbraw/zinc/54/02/52/662540252.db2.gz ILRQRJGCEMQLSJ-JCIQBVFBSA-N 1 1 308.382 -1.354 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001025941479 662540268 /nfs/dbraw/zinc/54/02/68/662540268.db2.gz QNFXREDKJDOSGF-RNWYCLNJSA-N 1 1 308.382 -1.354 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001025943573 662540274 /nfs/dbraw/zinc/54/02/74/662540274.db2.gz JGHPQOVDDQVFDK-FBDQPXRJSA-N 1 1 309.370 -1.809 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)NC1=O ZINC001025943861 662540279 /nfs/dbraw/zinc/54/02/79/662540279.db2.gz OYKBQISTYIDTFJ-OGBGREFGSA-N 1 1 307.354 -2.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001025952884 662540302 /nfs/dbraw/zinc/54/03/02/662540302.db2.gz DLEKQJWEGZBMNJ-IIEKFROSSA-N 1 1 308.382 -1.212 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958915 662540340 /nfs/dbraw/zinc/54/03/40/662540340.db2.gz NUAZGPOOTSFBRC-KVSVUVNWSA-N 1 1 322.409 -1.012 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001025943586 662540347 /nfs/dbraw/zinc/54/03/47/662540347.db2.gz JHILXBSMVFHQJP-OGBGREFGSA-N 1 1 309.370 -1.680 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001025958868 662540372 /nfs/dbraw/zinc/54/03/72/662540372.db2.gz ILRQRJGCEMQLSJ-KKJSVHSVSA-N 1 1 308.382 -1.354 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939538 662540467 /nfs/dbraw/zinc/54/04/67/662540467.db2.gz PSQJZCKJKAVOSH-HHHUOAJASA-N 1 1 306.366 -1.553 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1=O ZINC001025941578 662540538 /nfs/dbraw/zinc/54/05/38/662540538.db2.gz AOHIHTNKLBLTJE-GCHJQGSQSA-N 1 1 306.366 -1.600 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025993887 662540674 /nfs/dbraw/zinc/54/06/74/662540674.db2.gz FOZWAYYZZBTHJF-QGKZMRNZSA-N 1 1 307.354 -2.007 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001025969999 662540759 /nfs/dbraw/zinc/54/07/59/662540759.db2.gz CFYROSFFRFABLP-MOWSAHLDSA-N 1 1 320.393 -1.116 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001025970001 662540818 /nfs/dbraw/zinc/54/08/18/662540818.db2.gz CFYROSFFRFABLP-OJROKELRSA-N 1 1 320.393 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001025970171 662540825 /nfs/dbraw/zinc/54/08/25/662540825.db2.gz QYSCQBPGYFPJFJ-TUTUZKQUSA-N 1 1 308.382 -1.083 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCCCC(=O)N1 ZINC001026032998 662540993 /nfs/dbraw/zinc/54/09/93/662540993.db2.gz HJFVYBIXILRSFO-MOWSAHLDSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994640 662541052 /nfs/dbraw/zinc/54/10/52/662541052.db2.gz WNQJXVJCDKJAQK-RNWYCLNJSA-N 1 1 321.381 -1.665 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001026019760 662541116 /nfs/dbraw/zinc/54/11/16/662541116.db2.gz VUHXEBBYVJOZGJ-FBSDCJDYSA-N 1 1 308.382 -1.164 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025994303 662541139 /nfs/dbraw/zinc/54/11/39/662541139.db2.gz MMTSVJNMBUXPPS-LALMQGGXSA-N 1 1 321.337 -2.481 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001026049830 662541383 /nfs/dbraw/zinc/54/13/83/662541383.db2.gz NAXCYDVXQWZXGL-ZSOJELSESA-N 1 1 308.382 -1.369 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026045889 662541400 /nfs/dbraw/zinc/54/14/00/662541400.db2.gz PMNZLFMMUQWCQB-MCNAKINOSA-N 1 1 308.382 -1.369 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001026045889 662541402 /nfs/dbraw/zinc/54/14/02/662541402.db2.gz PMNZLFMMUQWCQB-MCNAKINOSA-N 1 1 308.382 -1.369 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC001026043800 662541438 /nfs/dbraw/zinc/54/14/38/662541438.db2.gz DYDFVNCTUHHJOP-MOWSAHLDSA-N 1 1 319.413 -1.046 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CCNC1=O ZINC001026036819 662541449 /nfs/dbraw/zinc/54/14/49/662541449.db2.gz GEAZCLLRLVDDLL-OYLDRBDASA-N 1 1 320.393 -1.162 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026049564 662541466 /nfs/dbraw/zinc/54/14/66/662541466.db2.gz VMLBSEGMNVYNGU-NAFSEIKSSA-N 1 1 306.366 -1.567 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001026050154 662541611 /nfs/dbraw/zinc/54/16/11/662541611.db2.gz ZKEGBTDAJLYEAO-PDWLFKFUSA-N 1 1 320.393 -1.225 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026077618 662541729 /nfs/dbraw/zinc/54/17/29/662541729.db2.gz HOQLIYUSMREZRJ-ABCHNEDTSA-N 1 1 323.353 -2.235 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001026101205 662542046 /nfs/dbraw/zinc/54/20/46/662542046.db2.gz CNKICSJIVZUDHO-GCHJQGSQSA-N 1 1 317.411 -1.553 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001026103227 662542126 /nfs/dbraw/zinc/54/21/26/662542126.db2.gz AEJFXZUDPZQWKA-KLFGWDPYSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026103177 662542267 /nfs/dbraw/zinc/54/22/67/662542267.db2.gz FMQDPUOZMYTAAX-KLFGWDPYSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC001026143748 662542428 /nfs/dbraw/zinc/54/24/28/662542428.db2.gz HUADLOWFRVFMGZ-IIEKFROSSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC001026143748 662542430 /nfs/dbraw/zinc/54/24/30/662542430.db2.gz HUADLOWFRVFMGZ-IIEKFROSSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026150270 662542687 /nfs/dbraw/zinc/54/26/87/662542687.db2.gz MLMSLKWRARWCRO-ITGHMWBKSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC1=O ZINC001026149704 662542765 /nfs/dbraw/zinc/54/27/65/662542765.db2.gz RSUIWOUEEDHIAB-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146836 662542861 /nfs/dbraw/zinc/54/28/61/662542861.db2.gz YWTQDIZEWLSLBY-ZIQFBCGOSA-N 1 1 317.411 -1.241 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141691 662542921 /nfs/dbraw/zinc/54/29/21/662542921.db2.gz JFUZEZHNCBCWDA-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146741 662542966 /nfs/dbraw/zinc/54/29/66/662542966.db2.gz FOASBQXUBVIGDS-ZJDVBMNYSA-N 1 1 316.383 -2.402 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146741 662542968 /nfs/dbraw/zinc/54/29/68/662542968.db2.gz FOASBQXUBVIGDS-ZJDVBMNYSA-N 1 1 316.383 -2.402 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141690 662543143 /nfs/dbraw/zinc/54/31/43/662543143.db2.gz JFUZEZHNCBCWDA-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143927 662543151 /nfs/dbraw/zinc/54/31/51/662543151.db2.gz MWXXAIKIBXFOQU-WSLQDRLSSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143927 662543153 /nfs/dbraw/zinc/54/31/53/662543153.db2.gz MWXXAIKIBXFOQU-WSLQDRLSSA-N 1 1 324.381 -1.846 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1=O ZINC001026149701 662543234 /nfs/dbraw/zinc/54/32/34/662543234.db2.gz RSUIWOUEEDHIAB-BYNIDDHOSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001026154812 662543378 /nfs/dbraw/zinc/54/33/78/662543378.db2.gz UDSGWQKUNLZGFB-HQUHEKEPSA-N 1 1 322.365 -1.651 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154765 662543687 /nfs/dbraw/zinc/54/36/87/662543687.db2.gz PPBPOITWSQVBTN-QXDXILDGSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154765 662543690 /nfs/dbraw/zinc/54/36/90/662543690.db2.gz PPBPOITWSQVBTN-QXDXILDGSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973866474 662544601 /nfs/dbraw/zinc/54/46/01/662544601.db2.gz VMYVILOAKUKGMZ-NNYUYHANSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973866743 662544716 /nfs/dbraw/zinc/54/47/16/662544716.db2.gz YYMADOBJSGMYNI-MXWKQRLJSA-N 1 1 307.358 -1.612 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949310 662545991 /nfs/dbraw/zinc/54/59/91/662545991.db2.gz BQAOSDBTVBIVBE-KXNHARMFSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949310 662545992 /nfs/dbraw/zinc/54/59/92/662545992.db2.gz BQAOSDBTVBIVBE-KXNHARMFSA-N 1 1 324.381 -1.641 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973960096 662546357 /nfs/dbraw/zinc/54/63/57/662546357.db2.gz UHNWYWRNWNMWEK-LMLFDSFASA-N 1 1 309.370 -1.475 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973989206 662546752 /nfs/dbraw/zinc/54/67/52/662546752.db2.gz PDIPIIMNTYRJBI-WZBKEBKWSA-N 1 1 323.393 -1.027 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000973989206 662546753 /nfs/dbraw/zinc/54/67/53/662546753.db2.gz PDIPIIMNTYRJBI-WZBKEBKWSA-N 1 1 323.393 -1.027 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]32)n1 ZINC001026303164 662547138 /nfs/dbraw/zinc/54/71/38/662547138.db2.gz RXOCVMFXHODAML-LPEHRKFASA-N 1 1 317.357 -1.031 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@@H]23)n1 ZINC001026303167 662547333 /nfs/dbraw/zinc/54/73/33/662547333.db2.gz RXOCVMFXHODAML-OPRDCNLKSA-N 1 1 317.357 -1.031 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@H]23)n1 ZINC001026303161 662547530 /nfs/dbraw/zinc/54/75/30/662547530.db2.gz RXOCVMFXHODAML-KXUCPTDWSA-N 1 1 317.357 -1.031 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973990290 662547574 /nfs/dbraw/zinc/54/75/74/662547574.db2.gz AQYXFYRBNIYUDH-TUAOUCFPSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973990290 662547575 /nfs/dbraw/zinc/54/75/75/662547575.db2.gz AQYXFYRBNIYUDH-TUAOUCFPSA-N 1 1 322.369 -1.628 20 0 DAADMO CC1(C)CN(C(=O)C[N@H+](CCO)CCOCCO)CCO1 ZINC000930705256 662553554 /nfs/dbraw/zinc/55/35/54/662553554.db2.gz PQYOTBLHKFARLX-UHFFFAOYSA-N 1 1 304.387 -1.073 20 0 DAADMO CC1(C)CN(C(=O)C[N@@H+](CCO)CCOCCO)CCO1 ZINC000930705256 662553555 /nfs/dbraw/zinc/55/35/55/662553555.db2.gz PQYOTBLHKFARLX-UHFFFAOYSA-N 1 1 304.387 -1.073 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000974147526 662551585 /nfs/dbraw/zinc/55/15/85/662551585.db2.gz DAZXCXXAIVSHQP-LPEHRKFASA-N 1 1 307.358 -1.461 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000974146641 662551594 /nfs/dbraw/zinc/55/15/94/662551594.db2.gz HZDBBDNFSLLVHJ-SDDRHHMPSA-N 1 1 306.370 -1.007 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000974150628 662551616 /nfs/dbraw/zinc/55/16/16/662551616.db2.gz TVQDJGJKRMIBKN-ZIQFBCGOSA-N 1 1 308.382 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000974150735 662551815 /nfs/dbraw/zinc/55/18/15/662551815.db2.gz PSEJQCCAGIAIDR-WISYIIOYSA-N 1 1 308.382 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cncn3)C2)C1 ZINC000974149628 662551881 /nfs/dbraw/zinc/55/18/81/662551881.db2.gz IMQBNFPMTMANJH-UTUOFQBUSA-N 1 1 306.370 -1.007 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000974161732 662552347 /nfs/dbraw/zinc/55/23/47/662552347.db2.gz INFGJAXDJQRPKA-SDDRHHMPSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974162369 662552693 /nfs/dbraw/zinc/55/26/93/662552693.db2.gz RKSIREFSPSDLDL-SDDRHHMPSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000974185718 662553508 /nfs/dbraw/zinc/55/35/08/662553508.db2.gz RKYLQFMJDQSWPX-RMPHRYRLSA-N 1 1 323.397 -1.229 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008192501 662553628 /nfs/dbraw/zinc/55/36/28/662553628.db2.gz WHUOFCQLZCCISZ-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001008192501 662553629 /nfs/dbraw/zinc/55/36/29/662553629.db2.gz WHUOFCQLZCCISZ-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006632925 662554082 /nfs/dbraw/zinc/55/40/82/662554082.db2.gz RMDYJBVHLZCBMP-KOLCDFICSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006632943 662554192 /nfs/dbraw/zinc/55/41/92/662554192.db2.gz RMDYJBVHLZCBMP-ONGXEEELSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006632924 662554275 /nfs/dbraw/zinc/55/42/75/662554275.db2.gz RMDYJBVHLZCBMP-GXSJLCMTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947310320 662556111 /nfs/dbraw/zinc/55/61/11/662556111.db2.gz PFTUDDFLCABQKH-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cnnn1C ZINC000947310294 662556329 /nfs/dbraw/zinc/55/63/29/662556329.db2.gz OVPGPSKVXDYHMQ-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cnnn1C ZINC000947310294 662556331 /nfs/dbraw/zinc/55/63/31/662556331.db2.gz OVPGPSKVXDYHMQ-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CCC1=O ZINC000947678811 662556338 /nfs/dbraw/zinc/55/63/38/662556338.db2.gz AGLMJOWRYZEAHB-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974294194 662556738 /nfs/dbraw/zinc/55/67/38/662556738.db2.gz FOVUVXHRTPVHGU-KXNHARMFSA-N 1 1 323.397 -1.085 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000974294196 662556862 /nfs/dbraw/zinc/55/68/62/662556862.db2.gz FOVUVXHRTPVHGU-WHOHXGKFSA-N 1 1 323.397 -1.085 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000974314968 662557686 /nfs/dbraw/zinc/55/76/86/662557686.db2.gz PTHMKUHBOZUWSX-OUAUKWLOSA-N 1 1 320.353 -1.364 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377705 662559881 /nfs/dbraw/zinc/55/98/81/662559881.db2.gz VGEDNGVQQRJKIA-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377705 662559884 /nfs/dbraw/zinc/55/98/84/662559884.db2.gz VGEDNGVQQRJKIA-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)n1 ZINC001026551596 662561083 /nfs/dbraw/zinc/56/10/83/662561083.db2.gz DUHKBGJJOIMMTG-UDNWOFFPSA-N 1 1 322.373 -1.592 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001026672970 662561421 /nfs/dbraw/zinc/56/14/21/662561421.db2.gz VOHMMZRUPFJCBC-SECBINFHSA-N 1 1 306.334 -2.165 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CCn3cncn3)C2)n1 ZINC001026688154 662561808 /nfs/dbraw/zinc/56/18/08/662561808.db2.gz JKPOYSAQLSIDTL-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO CS(=O)(=O)CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909325840 662562125 /nfs/dbraw/zinc/56/21/25/662562125.db2.gz SBWYOBOCZSHQOD-UHFFFAOYSA-N 1 1 305.400 -1.251 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)C(C)(C)C1 ZINC000974484871 662563072 /nfs/dbraw/zinc/56/30/72/662563072.db2.gz OBVULINVQKRSSW-NWDGAFQWSA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C)C(C)(C)C1 ZINC000974484871 662563076 /nfs/dbraw/zinc/56/30/76/662563076.db2.gz OBVULINVQKRSSW-NWDGAFQWSA-N 1 1 312.414 -1.110 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cnn(C)c3N)C2)n1 ZINC001026800298 662563572 /nfs/dbraw/zinc/56/35/72/662563572.db2.gz WZKYDNNHQDOJKF-SECBINFHSA-N 1 1 319.373 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602716 662564227 /nfs/dbraw/zinc/56/42/27/662564227.db2.gz LYYIDMCENPRADD-UWVGGRQHSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602716 662564229 /nfs/dbraw/zinc/56/42/29/662564229.db2.gz LYYIDMCENPRADD-UWVGGRQHSA-N 1 1 309.374 -1.366 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597483 662564262 /nfs/dbraw/zinc/56/42/62/662564262.db2.gz FIROLLFYRYHVGJ-SNVBAGLBSA-N 1 1 324.385 -1.150 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000974602899 662564276 /nfs/dbraw/zinc/56/42/76/662564276.db2.gz ZQEQRSDXCPYNBM-JTQLQIEISA-N 1 1 324.385 -1.414 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)[nH]1 ZINC001026834305 662564369 /nfs/dbraw/zinc/56/43/69/662564369.db2.gz WEXSZQBTUBICEA-JTQLQIEISA-N 1 1 319.373 -1.183 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602490 662564594 /nfs/dbraw/zinc/56/45/94/662564594.db2.gz KXUQLSXMRRMYFR-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602490 662564595 /nfs/dbraw/zinc/56/45/95/662564595.db2.gz KXUQLSXMRRMYFR-WDEREUQCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974633144 662565015 /nfs/dbraw/zinc/56/50/15/662565015.db2.gz PEAFRRBJJQDLNR-QWRGUYRKSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1nccn1 ZINC000974633144 662565021 /nfs/dbraw/zinc/56/50/21/662565021.db2.gz PEAFRRBJJQDLNR-QWRGUYRKSA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000974598387 662565095 /nfs/dbraw/zinc/56/50/95/662565095.db2.gz HMNXECLWJZWCSG-SECBINFHSA-N 1 1 310.358 -1.804 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000974646173 662565270 /nfs/dbraw/zinc/56/52/70/662565270.db2.gz UAXPTQDTCDWLDJ-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974607862 662565407 /nfs/dbraw/zinc/56/54/07/662565407.db2.gz WRSSLODBSFVXSI-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974607862 662565411 /nfs/dbraw/zinc/56/54/11/662565411.db2.gz WRSSLODBSFVXSI-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)n1 ZINC001026841031 662565433 /nfs/dbraw/zinc/56/54/33/662565433.db2.gz BGYXIKOUUXYFKA-NEPJUHHUSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001026883413 662565707 /nfs/dbraw/zinc/56/57/07/662565707.db2.gz VHYINMVXOULARG-MNOVXSKESA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC000974651177 662565748 /nfs/dbraw/zinc/56/57/48/662565748.db2.gz BOAHILUGRDZVBP-NSHDSACASA-N 1 1 324.381 -1.634 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001026907707 662566043 /nfs/dbraw/zinc/56/60/43/662566043.db2.gz UDEIHMIGEALSJU-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCCO)CC2(C)C)c1=O ZINC000974764469 662566572 /nfs/dbraw/zinc/56/65/72/662566572.db2.gz WCDPHGMBTIVNPM-LLVKDONJSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974756900 662566710 /nfs/dbraw/zinc/56/67/10/662566710.db2.gz LDRPOWDSHAJANK-GHMZBOCLSA-N 1 1 311.386 -1.211 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766423 662567006 /nfs/dbraw/zinc/56/70/06/662567006.db2.gz ZWWKSIJTWYYBGM-ZJUUUORDSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974766423 662567009 /nfs/dbraw/zinc/56/70/09/662567009.db2.gz ZWWKSIJTWYYBGM-ZJUUUORDSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)c1=O ZINC000974764472 662567021 /nfs/dbraw/zinc/56/70/21/662567021.db2.gz WCDPHGMBTIVNPM-NSHDSACASA-N 1 1 311.386 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)C(C)(C)C1 ZINC000974829543 662567180 /nfs/dbraw/zinc/56/71/80/662567180.db2.gz XYIAPIIXRUNWRC-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)C(C)(C)C1 ZINC000974829543 662567183 /nfs/dbraw/zinc/56/71/83/662567183.db2.gz XYIAPIIXRUNWRC-LLVKDONJSA-N 1 1 321.381 -1.034 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001026985484 662567288 /nfs/dbraw/zinc/56/72/88/662567288.db2.gz UFOODSWUNHIWSO-VIFPVBQESA-N 1 1 305.346 -1.111 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001026992339 662567362 /nfs/dbraw/zinc/56/73/62/662567362.db2.gz LCHZYEOWRPKOTI-SECBINFHSA-N 1 1 320.357 -1.099 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001026988049 662567496 /nfs/dbraw/zinc/56/74/96/662567496.db2.gz XFEMPRGMRBFXDG-NXEZZACHSA-N 1 1 307.358 -1.716 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001026998802 662568224 /nfs/dbraw/zinc/56/82/24/662568224.db2.gz MMHWSQGYTZTIHP-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC001027004835 662569212 /nfs/dbraw/zinc/56/92/12/662569212.db2.gz FRWLEXXCOURVCF-WDEREUQCSA-N 1 1 321.385 -1.374 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027034017 662569544 /nfs/dbraw/zinc/56/95/44/662569544.db2.gz UUFPROFTGQBSGT-QMMMGPOBSA-N 1 1 324.341 -2.219 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027034016 662569767 /nfs/dbraw/zinc/56/97/67/662569767.db2.gz UUFPROFTGQBSGT-MRVPVSSYSA-N 1 1 324.341 -2.219 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)n1 ZINC001027031622 662570085 /nfs/dbraw/zinc/57/00/85/662570085.db2.gz PYCJNRRMQOKYQP-SECBINFHSA-N 1 1 307.358 -1.586 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)C1 ZINC000974954728 662570188 /nfs/dbraw/zinc/57/01/88/662570188.db2.gz FKHXSRJVMDGDGC-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951276 662570438 /nfs/dbraw/zinc/57/04/38/662570438.db2.gz UGBUWEHUVPDSIA-ZJUUUORDSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951276 662570440 /nfs/dbraw/zinc/57/04/40/662570440.db2.gz UGBUWEHUVPDSIA-ZJUUUORDSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951270 662570809 /nfs/dbraw/zinc/57/08/09/662570809.db2.gz UGBUWEHUVPDSIA-VHSXEESVSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC2(C)C)n1 ZINC000974951270 662570813 /nfs/dbraw/zinc/57/08/13/662570813.db2.gz UGBUWEHUVPDSIA-VHSXEESVSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC000974967343 662571374 /nfs/dbraw/zinc/57/13/74/662571374.db2.gz FSAUEHKSOBRDMQ-GHMZBOCLSA-N 1 1 305.338 -1.264 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)n1 ZINC001027060870 662572268 /nfs/dbraw/zinc/57/22/68/662572268.db2.gz PMJCITPQULKMOU-YGRLFVJLSA-N 1 1 321.385 -1.326 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 ZINC000974964202 662572392 /nfs/dbraw/zinc/57/23/92/662572392.db2.gz PQWUSQQFNLYXCV-SNVBAGLBSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C(C)(C)C1 ZINC000974964202 662572395 /nfs/dbraw/zinc/57/23/95/662572395.db2.gz PQWUSQQFNLYXCV-SNVBAGLBSA-N 1 1 307.354 -1.044 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994410 662572518 /nfs/dbraw/zinc/57/25/18/662572518.db2.gz KEHGBZMSZVZALP-QWRGUYRKSA-N 1 1 323.397 -1.227 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974994410 662572519 /nfs/dbraw/zinc/57/25/19/662572519.db2.gz KEHGBZMSZVZALP-QWRGUYRKSA-N 1 1 323.397 -1.227 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001027067486 662572546 /nfs/dbraw/zinc/57/25/46/662572546.db2.gz TWCUDLDNHUGJPL-BBBLOLIVSA-N 1 1 307.358 -1.730 20 0 DAADMO CC1(C)C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000975002379 662572793 /nfs/dbraw/zinc/57/27/93/662572793.db2.gz DESHMEKACFSTAR-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000975002379 662572796 /nfs/dbraw/zinc/57/27/96/662572796.db2.gz DESHMEKACFSTAR-SECBINFHSA-N 1 1 310.354 -1.553 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991304 662572898 /nfs/dbraw/zinc/57/28/98/662572898.db2.gz CZTSVSXEYVDJAO-VHSXEESVSA-N 1 1 311.386 -1.417 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000974991304 662572901 /nfs/dbraw/zinc/57/29/01/662572901.db2.gz CZTSVSXEYVDJAO-VHSXEESVSA-N 1 1 311.386 -1.417 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974991344 662573109 /nfs/dbraw/zinc/57/31/09/662573109.db2.gz DNIOAYNLMKXSSL-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974991344 662573110 /nfs/dbraw/zinc/57/31/10/662573110.db2.gz DNIOAYNLMKXSSL-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000975107871 662573221 /nfs/dbraw/zinc/57/32/21/662573221.db2.gz QMYJUKRONXIUKD-VHSXEESVSA-N 1 1 312.370 -1.207 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001027121446 662573521 /nfs/dbraw/zinc/57/35/21/662573521.db2.gz YUZDWOSDJVEENK-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001027121445 662573657 /nfs/dbraw/zinc/57/36/57/662573657.db2.gz YUZDWOSDJVEENK-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173543 662573727 /nfs/dbraw/zinc/57/37/27/662573727.db2.gz DGFQZKHAUJYUQO-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000975173543 662573728 /nfs/dbraw/zinc/57/37/28/662573728.db2.gz DGFQZKHAUJYUQO-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CCn3cnnn3)C2)n1 ZINC001027138365 662574061 /nfs/dbraw/zinc/57/40/61/662574061.db2.gz LTRLSNUUMIKXLJ-JTQLQIEISA-N 1 1 320.361 -1.775 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001008910793 662574715 /nfs/dbraw/zinc/57/47/15/662574715.db2.gz VDVXIZXXYYSYCR-MMWGEVLESA-N 1 1 310.354 -2.377 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC001008910793 662574716 /nfs/dbraw/zinc/57/47/16/662574716.db2.gz VDVXIZXXYYSYCR-MMWGEVLESA-N 1 1 310.354 -2.377 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC[N@H+]1C ZINC001009118095 662576433 /nfs/dbraw/zinc/57/64/33/662576433.db2.gz KBRKAINQHJXVIR-OOCWMUITSA-N 1 1 308.382 -1.368 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290725 662577273 /nfs/dbraw/zinc/57/72/73/662577273.db2.gz BZMJUVUJQYJHAQ-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC001027289829 662577440 /nfs/dbraw/zinc/57/74/40/662577440.db2.gz KFLDYPUZHVOGKY-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1 ZINC000976132698 662578836 /nfs/dbraw/zinc/57/88/36/662578836.db2.gz HRHHZZSBNWDAIA-DCQANWLSSA-N 1 1 319.369 -1.802 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)C1 ZINC000976190969 662579957 /nfs/dbraw/zinc/57/99/57/662579957.db2.gz CVJLHDNQRJGWME-DNIRFERGSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccn[nH]2)C1 ZINC000976190969 662579961 /nfs/dbraw/zinc/57/99/61/662579961.db2.gz CVJLHDNQRJGWME-DNIRFERGSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)C1 ZINC000976234311 662580925 /nfs/dbraw/zinc/58/09/25/662580925.db2.gz MHIYUHQSSRAURG-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)C1 ZINC000976234311 662580927 /nfs/dbraw/zinc/58/09/27/662580927.db2.gz MHIYUHQSSRAURG-PDWCTOEPSA-N 1 1 323.393 -1.074 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009461127 662581531 /nfs/dbraw/zinc/58/15/31/662581531.db2.gz PPEYBVCEJFJOHS-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000976276811 662581554 /nfs/dbraw/zinc/58/15/54/662581554.db2.gz AVNYBNZLASVBFK-ZRUFSTJUSA-N 1 1 319.369 -1.509 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC000976265777 662581990 /nfs/dbraw/zinc/58/19/90/662581990.db2.gz CFEDCZMGUTXOJJ-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 ZINC000976272236 662582071 /nfs/dbraw/zinc/58/20/71/662582071.db2.gz ITTMHXITRYLHJN-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]21 ZINC000976289467 662582136 /nfs/dbraw/zinc/58/21/36/662582136.db2.gz YOZXEGHQAKIPKI-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]21 ZINC000976289464 662582321 /nfs/dbraw/zinc/58/23/21/662582321.db2.gz YOZXEGHQAKIPKI-BNDIWNMDSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cncn3)C[C@H]21 ZINC000976278552 662582331 /nfs/dbraw/zinc/58/23/31/662582331.db2.gz DYIKANDWQIURCN-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027345593 662582533 /nfs/dbraw/zinc/58/25/33/662582533.db2.gz SLLCNJGJJRNSAU-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@@H+](CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027345594 662582562 /nfs/dbraw/zinc/58/25/62/662582562.db2.gz SLLCNJGJJRNSAU-NSHDSACASA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]21 ZINC000976289473 662582822 /nfs/dbraw/zinc/58/28/22/662582822.db2.gz YOZXEGHQAKIPKI-LBELIVKGSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]32)C1 ZINC000976310225 662582833 /nfs/dbraw/zinc/58/28/33/662582833.db2.gz KIQWLKCISIPSIK-KXNHARMFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ncc[nH]4)C[C@H]32)C1 ZINC000976310225 662582835 /nfs/dbraw/zinc/58/28/35/662582835.db2.gz KIQWLKCISIPSIK-KXNHARMFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]([C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001027341290 662582845 /nfs/dbraw/zinc/58/28/45/662582845.db2.gz LHRXIKFIVOBWLT-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976304341 662582868 /nfs/dbraw/zinc/58/28/68/662582868.db2.gz HHTORIQTEMYSSS-BNDIWNMDSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976304341 662582870 /nfs/dbraw/zinc/58/28/70/662582870.db2.gz HHTORIQTEMYSSS-BNDIWNMDSA-N 1 1 311.382 -1.075 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnon4)C[C@H]32)C1 ZINC000976311922 662582876 /nfs/dbraw/zinc/58/28/76/662582876.db2.gz PNOJMCBCIFHQDW-BSJXLVFVSA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnon4)C[C@H]32)C1 ZINC000976311922 662582877 /nfs/dbraw/zinc/58/28/77/662582877.db2.gz PNOJMCBCIFHQDW-BSJXLVFVSA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976311136 662582975 /nfs/dbraw/zinc/58/29/75/662582975.db2.gz NADCIGGDDGHRJB-MPXOCVNLSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000976311136 662582978 /nfs/dbraw/zinc/58/29/78/662582978.db2.gz NADCIGGDDGHRJB-MPXOCVNLSA-N 1 1 310.354 -2.235 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027375116 662585644 /nfs/dbraw/zinc/58/56/44/662585644.db2.gz SQNLOXDLUPUUEA-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000976506811 662585662 /nfs/dbraw/zinc/58/56/62/662585662.db2.gz FJKSXVWCWUWPGI-JZRPKSSGSA-N 1 1 320.393 -1.081 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000976534871 662585997 /nfs/dbraw/zinc/58/59/97/662585997.db2.gz GKBVMICGOBUIAW-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC(=O)N4)C[C@H]32)C1 ZINC000976537497 662586127 /nfs/dbraw/zinc/58/61/27/662586127.db2.gz UIVCBWMSFYDDGZ-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]32)C1 ZINC000976536062 662586133 /nfs/dbraw/zinc/58/61/33/662586133.db2.gz IKOLDZJMLJVYQB-WYUUTHIRSA-N 1 1 320.393 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cn[nH]n4)C[C@H]32)C1 ZINC000976530668 662586276 /nfs/dbraw/zinc/58/62/76/662586276.db2.gz DIISACZRPRKGHI-SVDPJWKOSA-N 1 1 304.354 -1.057 20 0 DAADMO Cn1cnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000976536813 662586499 /nfs/dbraw/zinc/58/64/99/662586499.db2.gz OZWUVOPKEICDHO-NNYUYHANSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]32)C1 ZINC000976542993 662586546 /nfs/dbraw/zinc/58/65/46/662586546.db2.gz ZMJZTUUXNVOWON-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]32)C1 ZINC000976542993 662586548 /nfs/dbraw/zinc/58/65/48/662586548.db2.gz ZMJZTUUXNVOWON-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]32)C1 ZINC000976542993 662586550 /nfs/dbraw/zinc/58/65/50/662586550.db2.gz ZMJZTUUXNVOWON-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000976565059 662587292 /nfs/dbraw/zinc/58/72/92/662587292.db2.gz AVZLZTLMFRNKIC-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nccn1 ZINC000976565060 662587476 /nfs/dbraw/zinc/58/74/76/662587476.db2.gz AVZLZTLMFRNKIC-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000976677745 662588277 /nfs/dbraw/zinc/58/82/77/662588277.db2.gz YXJLWQRSTUSBRA-KLBPJQLPSA-N 1 1 317.349 -1.181 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976663821 662588540 /nfs/dbraw/zinc/58/85/40/662588540.db2.gz TXVVDJRXYHCMBV-RNFDROQYSA-N 1 1 308.382 -1.083 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411701 662588716 /nfs/dbraw/zinc/58/87/16/662588716.db2.gz HWLZEDMHMDDKLE-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411848 662588774 /nfs/dbraw/zinc/58/87/74/662588774.db2.gz IYTNOMIHHHTGEN-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412630 662588793 /nfs/dbraw/zinc/58/87/93/662588793.db2.gz SVHPVZZXOREYCH-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412630 662588794 /nfs/dbraw/zinc/58/87/94/662588794.db2.gz SVHPVZZXOREYCH-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411702 662588832 /nfs/dbraw/zinc/58/88/32/662588832.db2.gz HWLZEDMHMDDKLE-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001027411986 662588963 /nfs/dbraw/zinc/58/89/63/662588963.db2.gz LQHVBEXQSRDTRB-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418672 662589085 /nfs/dbraw/zinc/58/90/85/662589085.db2.gz HDDLZDBIEZOGTF-GHMZBOCLSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027418674 662589258 /nfs/dbraw/zinc/58/92/58/662589258.db2.gz HDDLZDBIEZOGTF-QWRGUYRKSA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027419500 662589299 /nfs/dbraw/zinc/58/92/99/662589299.db2.gz RGMHOIXRNZKGIZ-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001027419499 662589305 /nfs/dbraw/zinc/58/93/05/662589305.db2.gz RGMHOIXRNZKGIZ-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000976922226 662592747 /nfs/dbraw/zinc/59/27/47/662592747.db2.gz NVTFUGKDQYZXCS-BBGACYKPSA-N 1 1 317.349 -1.196 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000976940749 662593045 /nfs/dbraw/zinc/59/30/45/662593045.db2.gz YDDJBQIDSHHCDD-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@H]32)n1 ZINC000976994948 662595465 /nfs/dbraw/zinc/59/54/65/662595465.db2.gz RKBYRIONDRGUBK-YTWAJWBKSA-N 1 1 319.369 -1.509 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977089537 662598446 /nfs/dbraw/zinc/59/84/46/662598446.db2.gz GDLJIDHKFDHTAU-WHOHXGKFSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)O1 ZINC000977091175 662598795 /nfs/dbraw/zinc/59/87/95/662598795.db2.gz ZTYFIBHUDFKGMN-NZFPMDFQSA-N 1 1 310.354 -2.236 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)O1 ZINC000977091175 662598796 /nfs/dbraw/zinc/59/87/96/662598796.db2.gz ZTYFIBHUDFKGMN-NZFPMDFQSA-N 1 1 310.354 -2.236 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977090086 662598872 /nfs/dbraw/zinc/59/88/72/662598872.db2.gz NAYZDRDSCDIPCO-MEWQQHAOSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@H]21 ZINC000977080977 662599985 /nfs/dbraw/zinc/59/99/85/662599985.db2.gz CDBZBNUWQRAQFO-SQYUCLKFSA-N 1 1 306.366 -1.469 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001027477922 662600314 /nfs/dbraw/zinc/60/03/14/662600314.db2.gz MQWWVLKDOBHLAI-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001027477922 662600315 /nfs/dbraw/zinc/60/03/15/662600315.db2.gz MQWWVLKDOBHLAI-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977199369 662601212 /nfs/dbraw/zinc/60/12/12/662601212.db2.gz NZIKSCIDOQCHBF-IAZYJMLFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977200147 662601239 /nfs/dbraw/zinc/60/12/39/662601239.db2.gz RBQNRQQRGKEFGR-KIGUWFBYSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000977222151 662601259 /nfs/dbraw/zinc/60/12/59/662601259.db2.gz FBVOVHNLELZATH-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519769 662602865 /nfs/dbraw/zinc/60/28/65/662602865.db2.gz VWJNXXBDSCWANJ-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000977364819 662602885 /nfs/dbraw/zinc/60/28/85/662602885.db2.gz QIEGGOSPILPWTA-SNVBAGLBSA-N 1 1 312.370 -1.253 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000977524356 662603899 /nfs/dbraw/zinc/60/38/99/662603899.db2.gz OHDNAXCCCVXQKB-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1cn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000977524356 662603901 /nfs/dbraw/zinc/60/39/01/662603901.db2.gz OHDNAXCCCVXQKB-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000977569744 662604367 /nfs/dbraw/zinc/60/43/67/662604367.db2.gz WQBXDYFMEIWLGT-SNVBAGLBSA-N 1 1 312.370 -1.253 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000977621925 662604581 /nfs/dbraw/zinc/60/45/81/662604581.db2.gz LIWNIXOIAXAAIC-JTQLQIEISA-N 1 1 310.358 -1.804 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977732868 662605583 /nfs/dbraw/zinc/60/55/83/662605583.db2.gz PDKPUWFVDUFNIK-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552713 662605638 /nfs/dbraw/zinc/60/56/38/662605638.db2.gz ZMXMYLXBZGUYRF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027552713 662605641 /nfs/dbraw/zinc/60/56/41/662605641.db2.gz ZMXMYLXBZGUYRF-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553508 662605825 /nfs/dbraw/zinc/60/58/25/662605825.db2.gz ZGUVXCQBQDKRKH-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553508 662605826 /nfs/dbraw/zinc/60/58/26/662605826.db2.gz ZGUVXCQBQDKRKH-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553505 662605848 /nfs/dbraw/zinc/60/58/48/662605848.db2.gz ZGUVXCQBQDKRKH-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553505 662605849 /nfs/dbraw/zinc/60/58/49/662605849.db2.gz ZGUVXCQBQDKRKH-GHMZBOCLSA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC000977752107 662606121 /nfs/dbraw/zinc/60/61/21/662606121.db2.gz LSIAWMYJKDPYQQ-AATLWQCWSA-N 1 1 305.338 -1.036 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936546863 662606174 /nfs/dbraw/zinc/60/61/74/662606174.db2.gz JGRAPGUXMRGUHU-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)c3C)[C@@H]2C1 ZINC000977958057 662607336 /nfs/dbraw/zinc/60/73/36/662607336.db2.gz WUGZIKUXWSAULI-RTCCRHLQSA-N 1 1 306.370 -1.223 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000977961539 662607558 /nfs/dbraw/zinc/60/75/58/662607558.db2.gz XRRRAERTFONNBG-FVCCEPFGSA-N 1 1 320.393 -1.209 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000977966563 662607713 /nfs/dbraw/zinc/60/77/13/662607713.db2.gz QEGQSEMJAKONGP-MMWGEVLESA-N 1 1 316.365 -1.145 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC000978084733 662608818 /nfs/dbraw/zinc/60/88/18/662608818.db2.gz SSHFVXPWLHYEKD-MMWGEVLESA-N 1 1 306.370 -1.013 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnnn4C)[C@@H]3C2)C1=O ZINC000978084475 662608824 /nfs/dbraw/zinc/60/88/24/662608824.db2.gz RHDGZHSSYLGAHF-YFKTTZPYSA-N 1 1 318.381 -1.047 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000978104107 662608843 /nfs/dbraw/zinc/60/88/43/662608843.db2.gz CUGSCMKTWVIAEL-WISYIIOYSA-N 1 1 322.365 -1.379 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000978116569 662609261 /nfs/dbraw/zinc/60/92/61/662609261.db2.gz LUDJDLLBSKBGSR-HNCHTBHHSA-N 1 1 318.381 -1.047 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)n1 ZINC000978123563 662609558 /nfs/dbraw/zinc/60/95/58/662609558.db2.gz XQWYDROLKHLTAZ-RTCCRHLQSA-N 1 1 306.370 -1.048 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC000978188161 662610226 /nfs/dbraw/zinc/61/02/26/662610226.db2.gz HBFNXGALXQRNDY-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC000978173920 662610389 /nfs/dbraw/zinc/61/03/89/662610389.db2.gz PEXYGUVUOKQELW-RTCCRHLQSA-N 1 1 306.370 -1.048 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC000978197632 662610717 /nfs/dbraw/zinc/61/07/17/662610717.db2.gz DDSAAVGNFMHAJG-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199121 662611075 /nfs/dbraw/zinc/61/10/75/662611075.db2.gz ZOMMBVGGNVMAAT-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC000978199121 662611076 /nfs/dbraw/zinc/61/10/76/662611076.db2.gz ZOMMBVGGNVMAAT-QWRGUYRKSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CS(=O)(=O)C3)[C@@H]2C1 ZINC000978205055 662611097 /nfs/dbraw/zinc/61/10/97/662611097.db2.gz PDBBSFABRBXYEI-PDEGPIFNSA-N 1 1 302.396 -1.294 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC000978235346 662611340 /nfs/dbraw/zinc/61/13/40/662611340.db2.gz UYQJQDXQNDJYAZ-ZDEQEGDKSA-N 1 1 322.409 -1.153 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027595633 662611432 /nfs/dbraw/zinc/61/14/32/662611432.db2.gz FIZAHGGZMTYSCJ-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001027595633 662611433 /nfs/dbraw/zinc/61/14/33/662611433.db2.gz FIZAHGGZMTYSCJ-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC000978235343 662611473 /nfs/dbraw/zinc/61/14/73/662611473.db2.gz UYQJQDXQNDJYAZ-LPWJVIDDSA-N 1 1 322.409 -1.153 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c(=O)c3)[C@@H]2C1 ZINC000978306349 662612513 /nfs/dbraw/zinc/61/25/13/662612513.db2.gz SLYFZNYKYHSILZ-WKJUBOCMSA-N 1 1 305.338 -1.036 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027617779 662613014 /nfs/dbraw/zinc/61/30/14/662613014.db2.gz ZDUIBWRPXGUVJZ-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027617779 662613016 /nfs/dbraw/zinc/61/30/16/662613016.db2.gz ZDUIBWRPXGUVJZ-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC000978385269 662613043 /nfs/dbraw/zinc/61/30/43/662613043.db2.gz GWTLYHQCNYNCBP-CNDDSTCGSA-N 1 1 304.350 -1.222 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027617780 662613059 /nfs/dbraw/zinc/61/30/59/662613059.db2.gz ZDUIBWRPXGUVJZ-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001027617780 662613061 /nfs/dbraw/zinc/61/30/61/662613061.db2.gz ZDUIBWRPXGUVJZ-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617404 662613156 /nfs/dbraw/zinc/61/31/56/662613156.db2.gz PTJULRJEZBYXOK-GXSJLCMTSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC000978368450 662613201 /nfs/dbraw/zinc/61/32/01/662613201.db2.gz HOUWQQCQIGHVGT-YIYPIFLZSA-N 1 1 324.425 -1.253 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1)N1CCC1 ZINC000978376648 662613267 /nfs/dbraw/zinc/61/32/67/662613267.db2.gz QOVSJLQUZZQZCH-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1)N1CCC1 ZINC000978376648 662613268 /nfs/dbraw/zinc/61/32/68/662613268.db2.gz QOVSJLQUZZQZCH-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn[nH]3)[C@@H]2C1)N1CCC1 ZINC000978376648 662613270 /nfs/dbraw/zinc/61/32/70/662613270.db2.gz QOVSJLQUZZQZCH-RTCCRHLQSA-N 1 1 304.354 -1.055 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCC2N=NC(=O)N2C1 ZINC000978415906 662613569 /nfs/dbraw/zinc/61/35/69/662613569.db2.gz XSSGMNOEZXJJCC-FIQHERPVSA-N 1 1 321.381 -1.168 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617428 662613604 /nfs/dbraw/zinc/61/36/04/662613604.db2.gz QMNZGTKKUPGMRC-JTQLQIEISA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617428 662613606 /nfs/dbraw/zinc/61/36/06/662613606.db2.gz QMNZGTKKUPGMRC-JTQLQIEISA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001027617406 662613671 /nfs/dbraw/zinc/61/36/71/662613671.db2.gz PTJULRJEZBYXOK-MWLCHTKSSA-N 1 1 324.381 -1.164 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978446943 662613922 /nfs/dbraw/zinc/61/39/22/662613922.db2.gz WDUPDQRMADLXBR-RTCCRHLQSA-N 1 1 319.365 -1.483 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000978487517 662614018 /nfs/dbraw/zinc/61/40/18/662614018.db2.gz PTYXTXDWQMEROF-OWUUHHOZSA-N 1 1 305.338 -1.122 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628770 662614029 /nfs/dbraw/zinc/61/40/29/662614029.db2.gz KGBRBLMYAKVCTE-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978546388 662614176 /nfs/dbraw/zinc/61/41/76/662614176.db2.gz HSYJIFBLJIUXFX-KKOKHZNYSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628942 662614240 /nfs/dbraw/zinc/61/42/40/662614240.db2.gz OIKUAAPSVSLJEQ-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001027628945 662614283 /nfs/dbraw/zinc/61/42/83/662614283.db2.gz OIKUAAPSVSLJEQ-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000978516878 662614324 /nfs/dbraw/zinc/61/43/24/662614324.db2.gz CIPKKZKIDOMDEF-MMWGEVLESA-N 1 1 315.395 -1.787 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1)NC1CC1 ZINC000978597591 662614574 /nfs/dbraw/zinc/61/45/74/662614574.db2.gz DKDQQUWWRNMMSN-LPWJVIDDSA-N 1 1 320.393 -1.305 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC000978587103 662614577 /nfs/dbraw/zinc/61/45/77/662614577.db2.gz UXIJBKGZNCIJDP-WISYIIOYSA-N 1 1 323.397 -1.608 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978603500 662614597 /nfs/dbraw/zinc/61/45/97/662614597.db2.gz XFUOVRCRGKPTRB-OWUUHHOZSA-N 1 1 307.354 -1.178 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)n3C)[C@@H]2C1 ZINC000978594460 662614648 /nfs/dbraw/zinc/61/46/48/662614648.db2.gz QTEIKXFWFFUGMO-OWUUHHOZSA-N 1 1 307.354 -1.221 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC000978629665 662614858 /nfs/dbraw/zinc/61/48/58/662614858.db2.gz HFQPMQDCSYHNDO-LPWJVIDDSA-N 1 1 322.409 -1.153 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978615572 662614898 /nfs/dbraw/zinc/61/48/98/662614898.db2.gz OIGRKQZNGJNDBB-QEYWKRMJSA-N 1 1 307.358 -1.618 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)[C@@H]2C1 ZINC000978610001 662614933 /nfs/dbraw/zinc/61/49/33/662614933.db2.gz AKKWPXSVXSIUCZ-WISYIIOYSA-N 1 1 308.382 -1.353 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)C1=O ZINC001027647169 662615164 /nfs/dbraw/zinc/61/51/64/662615164.db2.gz DEGHMIAXOZQUAI-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)n1 ZINC000978621510 662615246 /nfs/dbraw/zinc/61/52/46/662615246.db2.gz BEEUMKGRSSLTPF-CHWFTXMASA-N 1 1 319.369 -1.604 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000978647602 662615302 /nfs/dbraw/zinc/61/53/02/662615302.db2.gz CKELMZMGHVFQOM-GRYCIOLGSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC000978664645 662615576 /nfs/dbraw/zinc/61/55/76/662615576.db2.gz YVLJTEZZVUKKMI-DBIOUOCHSA-N 1 1 319.365 -1.188 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000978668877 662615597 /nfs/dbraw/zinc/61/55/97/662615597.db2.gz DTBPSHVUPFGXMV-YFKTTZPYSA-N 1 1 319.369 -1.747 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978664551 662615614 /nfs/dbraw/zinc/61/56/14/662615614.db2.gz ZZJQERARXPQDNT-RTCCRHLQSA-N 1 1 320.349 -1.300 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]c1=O ZINC000978680461 662615892 /nfs/dbraw/zinc/61/58/92/662615892.db2.gz SERSCBVESGGMQY-GUDRVLHUSA-N 1 1 319.365 -1.078 20 0 DAADMO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000978680461 662615896 /nfs/dbraw/zinc/61/58/96/662615896.db2.gz SERSCBVESGGMQY-GUDRVLHUSA-N 1 1 319.365 -1.078 20 0 DAADMO CN1CC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000978680461 662615899 /nfs/dbraw/zinc/61/58/99/662615899.db2.gz SERSCBVESGGMQY-GUDRVLHUSA-N 1 1 319.365 -1.078 20 0 DAADMO Cn1ccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978670269 662615916 /nfs/dbraw/zinc/61/59/16/662615916.db2.gz GKUBCGFGXNVPFB-YFKTTZPYSA-N 1 1 318.381 -1.105 20 0 DAADMO Cn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC000978670269 662615917 /nfs/dbraw/zinc/61/59/17/662615917.db2.gz GKUBCGFGXNVPFB-YFKTTZPYSA-N 1 1 318.381 -1.105 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000978669829 662615932 /nfs/dbraw/zinc/61/59/32/662615932.db2.gz VCBNWOFJUSRECH-USZNOCQGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000978669832 662615984 /nfs/dbraw/zinc/61/59/84/662615984.db2.gz VCBNWOFJUSRECH-WRWGMCAJSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 ZINC000978711828 662616281 /nfs/dbraw/zinc/61/62/81/662616281.db2.gz RWPYYIOUCGVZMX-AATLWQCWSA-N 1 1 319.365 -1.105 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC000978708371 662616331 /nfs/dbraw/zinc/61/63/31/662616331.db2.gz TZYASZZLSLPTOL-QUARPLMYSA-N 1 1 310.354 -2.201 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000978734557 662616423 /nfs/dbraw/zinc/61/64/23/662616423.db2.gz SHXWUDIGGXLPTJ-ROHXPCBUSA-N 1 1 308.382 -1.510 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC000978706108 662616433 /nfs/dbraw/zinc/61/64/33/662616433.db2.gz CXQQDWUUSNJEES-MLGHIDQZSA-N 1 1 322.409 -1.072 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 ZINC000978709914 662616439 /nfs/dbraw/zinc/61/64/39/662616439.db2.gz NKLMKWXWQNOWQD-OWUUHHOZSA-N 1 1 319.365 -1.233 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)c(=O)n1C ZINC001027667367 662616505 /nfs/dbraw/zinc/61/65/05/662616505.db2.gz QGYDTNPSXMXFIM-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000978743698 662616687 /nfs/dbraw/zinc/61/66/87/662616687.db2.gz LYNZLGGWUKFCSC-MLGHIDQZSA-N 1 1 320.393 -1.366 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)C1=O ZINC001027674487 662617067 /nfs/dbraw/zinc/61/70/67/662617067.db2.gz ZDZMBHBCEREMKZ-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000978845148 662617344 /nfs/dbraw/zinc/61/73/44/662617344.db2.gz XWKNFIVZCZJAKL-WISYIIOYSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673343 662617438 /nfs/dbraw/zinc/61/74/38/662617438.db2.gz HPSPNKBVZFFEJT-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673343 662617439 /nfs/dbraw/zinc/61/74/39/662617439.db2.gz HPSPNKBVZFFEJT-SECBINFHSA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000978845158 662617447 /nfs/dbraw/zinc/61/74/47/662617447.db2.gz XWKNFIVZCZJAKL-YFKTTZPYSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001027675155 662617464 /nfs/dbraw/zinc/61/74/64/662617464.db2.gz QAVPJGCBVITCRA-MNOVXSKESA-N 1 1 324.381 -1.068 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000978845143 662617469 /nfs/dbraw/zinc/61/74/69/662617469.db2.gz XWKNFIVZCZJAKL-NNYUYHANSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000978845153 662617513 /nfs/dbraw/zinc/61/75/13/662617513.db2.gz XWKNFIVZCZJAKL-WYUUTHIRSA-N 1 1 323.397 -1.370 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)S1(=O)=O ZINC000978861669 662617692 /nfs/dbraw/zinc/61/76/92/662617692.db2.gz XNZZWUOXUCWPGD-YFKTTZPYSA-N 1 1 317.411 -1.693 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684827 662617704 /nfs/dbraw/zinc/61/77/04/662617704.db2.gz GHGIDWVZQIOXQM-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001027684827 662617705 /nfs/dbraw/zinc/61/77/05/662617705.db2.gz GHGIDWVZQIOXQM-VHSXEESVSA-N 1 1 318.399 -1.914 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978851550 662617712 /nfs/dbraw/zinc/61/77/12/662617712.db2.gz FIJBPGFXMYNFEC-RTCCRHLQSA-N 1 1 322.365 -1.921 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978873848 662617859 /nfs/dbraw/zinc/61/78/59/662617859.db2.gz CWCAARHWNAXCLB-GUDRVLHUSA-N 1 1 306.370 -1.013 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nnc[nH]4)[C@@H]3C2)C1=O ZINC000978859999 662617973 /nfs/dbraw/zinc/61/79/73/662617973.db2.gz CNEWXFKXXNRKFZ-MMWGEVLESA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)C1=O ZINC000978859999 662617974 /nfs/dbraw/zinc/61/79/74/662617974.db2.gz CNEWXFKXXNRKFZ-MMWGEVLESA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)C1=O ZINC000978859999 662617976 /nfs/dbraw/zinc/61/79/76/662617976.db2.gz CNEWXFKXXNRKFZ-MMWGEVLESA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC000978859999 662617978 /nfs/dbraw/zinc/61/79/78/662617978.db2.gz CNEWXFKXXNRKFZ-MMWGEVLESA-N 1 1 304.354 -1.057 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)C1=O ZINC000978859999 662617980 /nfs/dbraw/zinc/61/79/80/662617980.db2.gz CNEWXFKXXNRKFZ-MMWGEVLESA-N 1 1 304.354 -1.057 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnon1 ZINC000978879561 662618307 /nfs/dbraw/zinc/61/83/07/662618307.db2.gz NZRWIHDEIKQCHD-CKEKPRIKSA-N 1 1 319.321 -1.218 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001027692339 662618313 /nfs/dbraw/zinc/61/83/13/662618313.db2.gz GLZKKMCLCXAAMS-MNOVXSKESA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027702523 662618548 /nfs/dbraw/zinc/61/85/48/662618548.db2.gz GAZRDBZPJTWRPJ-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001027702523 662618549 /nfs/dbraw/zinc/61/85/49/662618549.db2.gz GAZRDBZPJTWRPJ-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(N)=O)[C@@H]2C1 ZINC000978953559 662618675 /nfs/dbraw/zinc/61/86/75/662618675.db2.gz VFJHJAIHKFRJLI-WISYIIOYSA-N 1 1 323.397 -1.301 20 0 DAADMO COc1c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cnn1C ZINC000979008046 662618911 /nfs/dbraw/zinc/61/89/11/662618911.db2.gz PTAADHRLBGRNGH-UIKWRGBMSA-N 1 1 307.354 -1.178 20 0 DAADMO Cn1nnnc1CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077765 662619677 /nfs/dbraw/zinc/61/96/77/662619677.db2.gz XENRYLCADTULIZ-LPWJVIDDSA-N 1 1 319.413 -1.044 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC000979076267 662619724 /nfs/dbraw/zinc/61/97/24/662619724.db2.gz GWQNKESAGBVDQF-RTCCRHLQSA-N 1 1 322.369 -1.683 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979039623 662619726 /nfs/dbraw/zinc/61/97/26/662619726.db2.gz ZPBAIOFJXBLHGD-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000979052361 662619740 /nfs/dbraw/zinc/61/97/40/662619740.db2.gz YTKMALYQJPXCIP-SYQHCUMBSA-N 1 1 322.409 -1.105 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)C1 ZINC000979076589 662619786 /nfs/dbraw/zinc/61/97/86/662619786.db2.gz YYGHZURGLUEDKR-FQUUOJAGSA-N 1 1 324.425 -1.253 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000979039626 662619961 /nfs/dbraw/zinc/61/99/61/662619961.db2.gz ZPBAIOFJXBLHGD-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC000979070726 662620171 /nfs/dbraw/zinc/62/01/71/662620171.db2.gz FAWBVDMTTNIAAN-WISYIIOYSA-N 1 1 317.411 -1.646 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4nncn4C3)[C@@H]2C1 ZINC000979091221 662620200 /nfs/dbraw/zinc/62/02/00/662620200.db2.gz QJHYTDZBVAQXIO-FIQHERPVSA-N 1 1 318.381 -1.380 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC000979087156 662620343 /nfs/dbraw/zinc/62/03/43/662620343.db2.gz JHVIXXQTIFRVSF-XWLWVQCSSA-N 1 1 321.381 -1.495 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC000979087151 662620359 /nfs/dbraw/zinc/62/03/59/662620359.db2.gz JHVIXXQTIFRVSF-DBIOUOCHSA-N 1 1 321.381 -1.495 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@@H]2C1 ZINC000979098551 662620573 /nfs/dbraw/zinc/62/05/73/662620573.db2.gz CSICFZYHNKJUCM-RTCCRHLQSA-N 1 1 317.349 -1.427 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000979094755 662620694 /nfs/dbraw/zinc/62/06/94/662620694.db2.gz SKRFGXFXEUBSJQ-FQUUOJAGSA-N 1 1 311.382 -1.480 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000979144699 662621572 /nfs/dbraw/zinc/62/15/72/662621572.db2.gz DCNYUYNTNKZCEH-AXFHLTTASA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC000979219446 662621862 /nfs/dbraw/zinc/62/18/62/662621862.db2.gz VPDYGBJQKIQKSD-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000979203081 662622043 /nfs/dbraw/zinc/62/20/43/662622043.db2.gz BCQPXAUXIJJCIF-WHOHXGKFSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC000979229312 662622355 /nfs/dbraw/zinc/62/23/55/662622355.db2.gz KSVKKNAUYIVDSY-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979235952 662622366 /nfs/dbraw/zinc/62/23/66/662622366.db2.gz KUBXAUNFGBWWOW-ONGXEEELSA-N 1 1 310.358 -1.604 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979240243 662622461 /nfs/dbraw/zinc/62/24/61/662622461.db2.gz TXJDEBABMVCZEE-WDEREUQCSA-N 1 1 324.385 -1.121 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC000979235939 662622524 /nfs/dbraw/zinc/62/25/24/662622524.db2.gz KTNHYFUVUGWMME-JQWIXIFHSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979234122 662622814 /nfs/dbraw/zinc/62/28/14/662622814.db2.gz IVOCXMRNTZBIMA-NXEZZACHSA-N 1 1 310.358 -1.604 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC000979231060 662622856 /nfs/dbraw/zinc/62/28/56/662622856.db2.gz DDLVWHUDOIDZNC-KOLCDFICSA-N 1 1 310.358 -1.604 20 0 DAADMO Cn1c2[nH]c(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)nc2c(=O)n(C)c1=O ZINC000893547774 662622914 /nfs/dbraw/zinc/62/29/14/662622914.db2.gz AUFTUNRXADQULI-DTORHVGOSA-N 1 1 304.354 -1.042 20 0 DAADMO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361738 662623182 /nfs/dbraw/zinc/62/31/82/662623182.db2.gz ROZREXYOVNMASK-PSASIEDQSA-N 1 1 322.369 -1.127 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354308 662623669 /nfs/dbraw/zinc/62/36/69/662623669.db2.gz DYTFVNMNXZRDBR-PSASIEDQSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC000979373779 662623846 /nfs/dbraw/zinc/62/38/46/662623846.db2.gz ISELTRXIXCZIOR-WCBMZHEXSA-N 1 1 322.329 -1.388 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979361276 662623922 /nfs/dbraw/zinc/62/39/22/662623922.db2.gz QJPRVDPGBJFALG-JQWIXIFHSA-N 1 1 324.385 -1.203 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361265 662623932 /nfs/dbraw/zinc/62/39/32/662623932.db2.gz QIHFCZUMJIEXJY-VHSXEESVSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979354314 662623940 /nfs/dbraw/zinc/62/39/40/662623940.db2.gz DYTFVNMNXZRDBR-SCZZXKLOSA-N 1 1 323.357 -1.801 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365549 662624177 /nfs/dbraw/zinc/62/41/77/662624177.db2.gz YMODQLUFLRCJJH-MWLCHTKSSA-N 1 1 324.385 -1.203 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979401101 662624329 /nfs/dbraw/zinc/62/43/29/662624329.db2.gz WBFCOPJKAPODCW-WPRPVWTQSA-N 1 1 322.329 -1.388 20 0 DAADMO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365551 662624365 /nfs/dbraw/zinc/62/43/65/662624365.db2.gz YMODQLUFLRCJJH-ONGXEEELSA-N 1 1 324.385 -1.203 20 0 DAADMO C[C@H]([NH2+]Cc1nncn1C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398056 662624438 /nfs/dbraw/zinc/62/44/38/662624438.db2.gz RAKQVDZRLKZRPL-UWVGGRQHSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979392532 662624458 /nfs/dbraw/zinc/62/44/58/662624458.db2.gz DLFSYJPMKGBTCF-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398903 662624477 /nfs/dbraw/zinc/62/44/77/662624477.db2.gz SJLBSAKRHUKJIT-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805120 662624777 /nfs/dbraw/zinc/62/47/77/662624777.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805120 662624778 /nfs/dbraw/zinc/62/47/78/662624778.db2.gz NOIQIXOCNBSMNB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805369 662625076 /nfs/dbraw/zinc/62/50/76/662625076.db2.gz RSYUMYZLEQKBIK-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805369 662625077 /nfs/dbraw/zinc/62/50/77/662625077.db2.gz RSYUMYZLEQKBIK-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001027805630 662625090 /nfs/dbraw/zinc/62/50/90/662625090.db2.gz WNJYAAQMVMQMBZ-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001027805630 662625091 /nfs/dbraw/zinc/62/50/91/662625091.db2.gz WNJYAAQMVMQMBZ-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805370 662625094 /nfs/dbraw/zinc/62/50/94/662625094.db2.gz RSYUMYZLEQKBIK-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805370 662625095 /nfs/dbraw/zinc/62/50/95/662625095.db2.gz RSYUMYZLEQKBIK-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@H]2C1 ZINC000979520661 662625362 /nfs/dbraw/zinc/62/53/62/662625362.db2.gz RZZTXWDQUDSKAA-GARJFASQSA-N 1 1 307.358 -1.625 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000979584748 662625948 /nfs/dbraw/zinc/62/59/48/662625948.db2.gz VCBNWOFJUSRECH-BJDJZHNGSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000979584759 662626167 /nfs/dbraw/zinc/62/61/67/662626167.db2.gz VCBNWOFJUSRECH-KKOKHZNYSA-N 1 1 323.397 -1.227 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC000979669300 662626431 /nfs/dbraw/zinc/62/64/31/662626431.db2.gz LJTXYCXBQLHEIY-HBNTYKKESA-N 1 1 322.369 -1.314 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979708915 662627011 /nfs/dbraw/zinc/62/70/11/662627011.db2.gz FDYYKVASDRDZGV-TUAOUCFPSA-N 1 1 321.385 -1.364 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)C1=COCCO1 ZINC001010025034 662627250 /nfs/dbraw/zinc/62/72/50/662627250.db2.gz XNDNFISIONWHRG-SNVBAGLBSA-N 1 1 324.337 -1.383 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C[C@H]2C1 ZINC000979721379 662627436 /nfs/dbraw/zinc/62/74/36/662627436.db2.gz ZCYATZSZERBNMP-DCAQKATOSA-N 1 1 307.358 -1.625 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001027835093 662627687 /nfs/dbraw/zinc/62/76/87/662627687.db2.gz REUSODMBBMDNJI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001027835093 662627688 /nfs/dbraw/zinc/62/76/88/662627688.db2.gz REUSODMBBMDNJI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000979774287 662627841 /nfs/dbraw/zinc/62/78/41/662627841.db2.gz IDNIMIBFKSCZLO-DCAQKATOSA-N 1 1 321.385 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3nccn3)C[C@@H]2C1 ZINC000979763060 662627870 /nfs/dbraw/zinc/62/78/70/662627870.db2.gz QDQSVOIIXOOTMR-TUAOUCFPSA-N 1 1 306.370 -1.020 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000979774293 662627930 /nfs/dbraw/zinc/62/79/30/662627930.db2.gz IDNIMIBFKSCZLO-GMTAPVOTSA-N 1 1 321.385 -1.214 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCCO1 ZINC001010040360 662628462 /nfs/dbraw/zinc/62/84/62/662628462.db2.gz XNSOURYQZKOWJZ-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCCO1 ZINC001010040360 662628465 /nfs/dbraw/zinc/62/84/65/662628465.db2.gz XNSOURYQZKOWJZ-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC001027858867 662631092 /nfs/dbraw/zinc/63/10/92/662631092.db2.gz IMXYJMLRCHUKDN-UWVGGRQHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC001027858867 662631095 /nfs/dbraw/zinc/63/10/95/662631095.db2.gz IMXYJMLRCHUKDN-UWVGGRQHSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@H]1COC(=O)N1 ZINC001027861534 662631253 /nfs/dbraw/zinc/63/12/53/662631253.db2.gz XWCPBCOAGYZEQW-WDEREUQCSA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)nn1 ZINC001027862917 662631622 /nfs/dbraw/zinc/63/16/22/662631622.db2.gz ZNMKVJCKDFIKBD-ONGXEEELSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)nn1 ZINC001027862917 662631623 /nfs/dbraw/zinc/63/16/23/662631623.db2.gz ZNMKVJCKDFIKBD-ONGXEEELSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001010074564 662631894 /nfs/dbraw/zinc/63/18/94/662631894.db2.gz BADJEQYOBJYXHI-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001010074564 662631895 /nfs/dbraw/zinc/63/18/95/662631895.db2.gz BADJEQYOBJYXHI-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077411 662632065 /nfs/dbraw/zinc/63/20/65/662632065.db2.gz HKETVKHRFGIWSS-RYUDHWBXSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077411 662632067 /nfs/dbraw/zinc/63/20/67/662632067.db2.gz HKETVKHRFGIWSS-RYUDHWBXSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010074309 662632080 /nfs/dbraw/zinc/63/20/80/662632080.db2.gz AFBOLQINTJUIMK-VIFPVBQESA-N 1 1 322.329 -2.585 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090909 662632977 /nfs/dbraw/zinc/63/29/77/662632977.db2.gz YHZVZXFPFFQLJD-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010090909 662632978 /nfs/dbraw/zinc/63/29/78/662632978.db2.gz YHZVZXFPFFQLJD-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC000980183102 662633470 /nfs/dbraw/zinc/63/34/70/662633470.db2.gz DDXUBZLIBLHQEW-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1[nH]c(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@H]3C2)nc1=O ZINC000980186113 662633664 /nfs/dbraw/zinc/63/36/64/662633664.db2.gz NODUNCYZLBGXFW-GUBZILKMSA-N 1 1 322.369 -1.690 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980188223 662633687 /nfs/dbraw/zinc/63/36/87/662633687.db2.gz UZKGWORFGZHJAL-HBNTYKKESA-N 1 1 317.411 -1.267 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000980198635 662633931 /nfs/dbraw/zinc/63/39/31/662633931.db2.gz DCNYUYNTNKZCEH-DCAQKATOSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263736 662634527 /nfs/dbraw/zinc/63/45/27/662634527.db2.gz LIWQPMVBVLEGBQ-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980248270 662634606 /nfs/dbraw/zinc/63/46/06/662634606.db2.gz TVKZDPBVXJAFTG-QJPTWQEYSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980248273 662634728 /nfs/dbraw/zinc/63/47/28/662634728.db2.gz TVKZDPBVXJAFTG-SDDRHHMPSA-N 1 1 324.381 -1.253 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980339188 662635525 /nfs/dbraw/zinc/63/55/25/662635525.db2.gz ORTUKOMDOWKUHG-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO Cn1nc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)ccc1=O ZINC000980333328 662635551 /nfs/dbraw/zinc/63/55/51/662635551.db2.gz MQXSTKRXBMQEHJ-ZYHUDNBSSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353826 662635568 /nfs/dbraw/zinc/63/55/68/662635568.db2.gz VFLPDTAVXBAHHJ-VHSXEESVSA-N 1 1 310.354 -1.458 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cncn2)C1)[C@@H]1CCC(=O)NC1=O ZINC000980340241 662635572 /nfs/dbraw/zinc/63/55/72/662635572.db2.gz ZAMVUJPCOPHWLN-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980300140 662635596 /nfs/dbraw/zinc/63/55/96/662635596.db2.gz NPVFSEVJVKVUCL-RYUDHWBXSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980300140 662635597 /nfs/dbraw/zinc/63/55/97/662635597.db2.gz NPVFSEVJVKVUCL-RYUDHWBXSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353828 662635631 /nfs/dbraw/zinc/63/56/31/662635631.db2.gz VFLPDTAVXBAHHJ-ZJUUUORDSA-N 1 1 310.354 -1.458 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)[C@H]1CCNC1=O ZINC000980346009 662635840 /nfs/dbraw/zinc/63/58/40/662635840.db2.gz KFKPILKHJOONFM-ZJUUUORDSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000980357791 662636273 /nfs/dbraw/zinc/63/62/73/662636273.db2.gz MOJDJQIKPGQFLO-LLVKDONJSA-N 1 1 311.386 -1.205 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000980357791 662636275 /nfs/dbraw/zinc/63/62/75/662636275.db2.gz MOJDJQIKPGQFLO-LLVKDONJSA-N 1 1 311.386 -1.205 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cnnn1 ZINC000980357473 662636392 /nfs/dbraw/zinc/63/63/92/662636392.db2.gz AEGFJEGVKFXCLF-VHSXEESVSA-N 1 1 320.361 -1.777 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980426819 662636540 /nfs/dbraw/zinc/63/65/40/662636540.db2.gz KIXYBNDMBDHCFH-RKDXNWHRSA-N 1 1 304.372 -2.304 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000980426819 662636541 /nfs/dbraw/zinc/63/65/41/662636541.db2.gz KIXYBNDMBDHCFH-RKDXNWHRSA-N 1 1 304.372 -2.304 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980484253 662636545 /nfs/dbraw/zinc/63/65/45/662636545.db2.gz YIIQVNSOYSGAKR-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000980471895 662636729 /nfs/dbraw/zinc/63/67/29/662636729.db2.gz PZQKQIQRERISLG-MNOVXSKESA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000980471895 662636731 /nfs/dbraw/zinc/63/67/31/662636731.db2.gz PZQKQIQRERISLG-MNOVXSKESA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC000980453877 662636742 /nfs/dbraw/zinc/63/67/42/662636742.db2.gz GHHNXPBKXGDEQV-VIFPVBQESA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC000980453877 662636743 /nfs/dbraw/zinc/63/67/43/662636743.db2.gz GHHNXPBKXGDEQV-VIFPVBQESA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980426817 662636753 /nfs/dbraw/zinc/63/67/53/662636753.db2.gz KIXYBNDMBDHCFH-IUCAKERBSA-N 1 1 304.372 -2.304 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000980426817 662636756 /nfs/dbraw/zinc/63/67/56/662636756.db2.gz KIXYBNDMBDHCFH-IUCAKERBSA-N 1 1 304.372 -2.304 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386098 662636797 /nfs/dbraw/zinc/63/67/97/662636797.db2.gz GXNUYAGVFJVTOB-JTQLQIEISA-N 1 1 317.353 -1.315 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cc2nc3ncccn3n2)C1 ZINC000980386098 662636798 /nfs/dbraw/zinc/63/67/98/662636798.db2.gz GXNUYAGVFJVTOB-JTQLQIEISA-N 1 1 317.353 -1.315 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC000980426731 662636837 /nfs/dbraw/zinc/63/68/37/662636837.db2.gz JLCWWZBYQLSIGV-NSHDSACASA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC000980426731 662636838 /nfs/dbraw/zinc/63/68/38/662636838.db2.gz JLCWWZBYQLSIGV-NSHDSACASA-N 1 1 305.338 -1.188 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)nn1 ZINC000980483228 662636865 /nfs/dbraw/zinc/63/68/65/662636865.db2.gz KXXPVYLYKGSYGI-LLVKDONJSA-N 1 1 324.385 -1.495 20 0 DAADMO C[N@H+](CCO)[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000980386857 662636919 /nfs/dbraw/zinc/63/69/19/662636919.db2.gz NRCWZQQWYXCHOC-LBPRGKRZSA-N 1 1 319.427 -1.758 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000980386857 662636920 /nfs/dbraw/zinc/63/69/20/662636920.db2.gz NRCWZQQWYXCHOC-LBPRGKRZSA-N 1 1 319.427 -1.758 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943082 662637240 /nfs/dbraw/zinc/63/72/40/662637240.db2.gz KBFSZAFULYJDDK-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943082 662637242 /nfs/dbraw/zinc/63/72/42/662637242.db2.gz KBFSZAFULYJDDK-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000980580821 662637552 /nfs/dbraw/zinc/63/75/52/662637552.db2.gz FACRZJOOJHMACE-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1cncn1 ZINC000980792314 662639134 /nfs/dbraw/zinc/63/91/34/662639134.db2.gz KZWSPKHDENAIDM-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000980898004 662640308 /nfs/dbraw/zinc/64/03/08/662640308.db2.gz GNEKGZXDWKYKAZ-VHSXEESVSA-N 1 1 320.361 -1.586 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000980898005 662640412 /nfs/dbraw/zinc/64/04/12/662640412.db2.gz GNEKGZXDWKYKAZ-ZJUUUORDSA-N 1 1 320.361 -1.586 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013011 662640611 /nfs/dbraw/zinc/64/06/11/662640611.db2.gz GZPYJGRTCPSCRR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000981013011 662640612 /nfs/dbraw/zinc/64/06/12/662640612.db2.gz GZPYJGRTCPSCRR-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccn[nH]1 ZINC001010268354 662640632 /nfs/dbraw/zinc/64/06/32/662640632.db2.gz DNOJGMJNCVDIQL-SECBINFHSA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccn[nH]1 ZINC001010268354 662640634 /nfs/dbraw/zinc/64/06/34/662640634.db2.gz DNOJGMJNCVDIQL-SECBINFHSA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ccn[nH]1 ZINC001010268366 662640652 /nfs/dbraw/zinc/64/06/52/662640652.db2.gz DNOJGMJNCVDIQL-VIFPVBQESA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ccn[nH]1 ZINC001010268366 662640654 /nfs/dbraw/zinc/64/06/54/662640654.db2.gz DNOJGMJNCVDIQL-VIFPVBQESA-N 1 1 306.326 -1.234 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCOCC2)C1 ZINC000950063617 662640687 /nfs/dbraw/zinc/64/06/87/662640687.db2.gz FCECZNVUJGNBMJ-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CS(C)(=O)=O)C1 ZINC000950063172 662640721 /nfs/dbraw/zinc/64/07/21/662640721.db2.gz AJJSADZYMQEMFR-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001922 662640867 /nfs/dbraw/zinc/64/08/67/662640867.db2.gz VMUNOKZPWUGYNI-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001922 662640869 /nfs/dbraw/zinc/64/08/69/662640869.db2.gz VMUNOKZPWUGYNI-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCOCC2)C1 ZINC000950063661 662640890 /nfs/dbraw/zinc/64/08/90/662640890.db2.gz FCECZNVUJGNBMJ-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCOCC2)C1 ZINC000950063665 662640991 /nfs/dbraw/zinc/64/09/91/662640991.db2.gz FCECZNVUJGNBMJ-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001028009966 662640999 /nfs/dbraw/zinc/64/09/99/662640999.db2.gz QSTAWUKRJWLTKI-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001028009966 662641001 /nfs/dbraw/zinc/64/10/01/662641001.db2.gz QSTAWUKRJWLTKI-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981060217 662641093 /nfs/dbraw/zinc/64/10/93/662641093.db2.gz URYTUMZFPBCVNW-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981073299 662641147 /nfs/dbraw/zinc/64/11/47/662641147.db2.gz DRXYXJYNBNBNKH-NXEZZACHSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981073299 662641149 /nfs/dbraw/zinc/64/11/49/662641149.db2.gz DRXYXJYNBNBNKH-NXEZZACHSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981073306 662641361 /nfs/dbraw/zinc/64/13/61/662641361.db2.gz DRXYXJYNBNBNKH-ZJUUUORDSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981073306 662641362 /nfs/dbraw/zinc/64/13/62/662641362.db2.gz DRXYXJYNBNBNKH-ZJUUUORDSA-N 1 1 324.337 -1.566 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cnnn2)C1 ZINC000950064002 662641372 /nfs/dbraw/zinc/64/13/72/662641372.db2.gz HPQHCUFLALNNBH-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO NC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037341 662642180 /nfs/dbraw/zinc/64/21/80/662642180.db2.gz VIIYUTMQHMIHMT-BWAOXVRWSA-N 1 1 322.409 -1.085 20 0 DAADMO O=C(C[N@@H+]1CCCN(C(=O)Cn2ncnn2)CC1)N1CCCC1 ZINC000981172215 662642214 /nfs/dbraw/zinc/64/22/14/662642214.db2.gz XCXPHWUAONMQAG-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO O=C(C[N@H+]1CCCN(C(=O)Cn2ncnn2)CC1)N1CCCC1 ZINC000981172215 662642216 /nfs/dbraw/zinc/64/22/16/662642216.db2.gz XCXPHWUAONMQAG-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[N@@H+](CCCO)CC2)n1 ZINC000981198095 662642344 /nfs/dbraw/zinc/64/23/44/662642344.db2.gz XPIDFGUWICPAQR-UHFFFAOYSA-N 1 1 310.358 -1.706 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CCNC1=O ZINC001028072860 662643144 /nfs/dbraw/zinc/64/31/44/662643144.db2.gz OELSVPMQYWQVNG-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001028073960 662643188 /nfs/dbraw/zinc/64/31/88/662643188.db2.gz ZMTPTLFLCADMTN-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001028073960 662643189 /nfs/dbraw/zinc/64/31/89/662643189.db2.gz ZMTPTLFLCADMTN-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(Cn1nccn1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981250824 662643237 /nfs/dbraw/zinc/64/32/37/662643237.db2.gz LSGBCTPWBRMCDX-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(Cn1nccn1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000981250824 662643240 /nfs/dbraw/zinc/64/32/40/662643240.db2.gz LSGBCTPWBRMCDX-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000981274487 662643582 /nfs/dbraw/zinc/64/35/82/662643582.db2.gz AETPCXLJCBQJJG-RKDXNWHRSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000981274486 662643732 /nfs/dbraw/zinc/64/37/32/662643732.db2.gz AETPCXLJCBQJJG-IUCAKERBSA-N 1 1 320.361 -1.436 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076896 662643751 /nfs/dbraw/zinc/64/37/51/662643751.db2.gz ZTCSBXZPNDXQHI-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076896 662643752 /nfs/dbraw/zinc/64/37/52/662643752.db2.gz ZTCSBXZPNDXQHI-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028080607 662643975 /nfs/dbraw/zinc/64/39/75/662643975.db2.gz ADTHFNJWGLUZSK-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028080607 662643976 /nfs/dbraw/zinc/64/39/76/662643976.db2.gz ADTHFNJWGLUZSK-VHSXEESVSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2CCN2CCNC2=O)n1 ZINC001028078707 662644128 /nfs/dbraw/zinc/64/41/28/662644128.db2.gz PXDMBVGZBAYWAY-SNVBAGLBSA-N 1 1 322.373 -1.571 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)n1 ZINC001028078636 662644265 /nfs/dbraw/zinc/64/42/65/662644265.db2.gz OIJPNUJGYSBFGN-SNVBAGLBSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)n1 ZINC001028078636 662644268 /nfs/dbraw/zinc/64/42/68/662644268.db2.gz OIJPNUJGYSBFGN-SNVBAGLBSA-N 1 1 307.358 -1.363 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612492 662645671 /nfs/dbraw/zinc/64/56/71/662645671.db2.gz UOCPWISXKYHSHT-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981612492 662645672 /nfs/dbraw/zinc/64/56/72/662645672.db2.gz UOCPWISXKYHSHT-JTQLQIEISA-N 1 1 307.358 -1.529 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001028109886 662645833 /nfs/dbraw/zinc/64/58/33/662645833.db2.gz PEDVTBCJADFGBC-MNOVXSKESA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001028109886 662645835 /nfs/dbraw/zinc/64/58/35/662645835.db2.gz PEDVTBCJADFGBC-MNOVXSKESA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001028111329 662645997 /nfs/dbraw/zinc/64/59/97/662645997.db2.gz WVRYOIMMJZGITO-MNOVXSKESA-N 1 1 307.358 -1.460 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000981668998 662646026 /nfs/dbraw/zinc/64/60/26/662646026.db2.gz GYBBQMNMKICAOI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000981668998 662646028 /nfs/dbraw/zinc/64/60/28/662646028.db2.gz GYBBQMNMKICAOI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001028111442 662646181 /nfs/dbraw/zinc/64/61/81/662646181.db2.gz XSZFDPONERSVAV-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001028111442 662646183 /nfs/dbraw/zinc/64/61/83/662646183.db2.gz XSZFDPONERSVAV-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001028111191 662646189 /nfs/dbraw/zinc/64/61/89/662646189.db2.gz WVRYOIMMJZGITO-GHMZBOCLSA-N 1 1 307.358 -1.460 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001028111443 662646329 /nfs/dbraw/zinc/64/63/29/662646329.db2.gz XSZFDPONERSVAV-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001028111443 662646330 /nfs/dbraw/zinc/64/63/30/662646330.db2.gz XSZFDPONERSVAV-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC000981678345 662646332 /nfs/dbraw/zinc/64/63/32/662646332.db2.gz TURDPSCYEVUMOC-UHFFFAOYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981678287 662646348 /nfs/dbraw/zinc/64/63/48/662646348.db2.gz QRRNWKOKQRZDMG-SNVBAGLBSA-N 1 1 322.365 -1.409 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981742355 662646577 /nfs/dbraw/zinc/64/65/77/662646577.db2.gz LFKNOVPRIMYFMI-MNOVXSKESA-N 1 1 322.365 -1.092 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742255 662646584 /nfs/dbraw/zinc/64/65/84/662646584.db2.gz JMRHOVZULYRXBC-ZJUUUORDSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000981742255 662646586 /nfs/dbraw/zinc/64/65/86/662646586.db2.gz JMRHOVZULYRXBC-ZJUUUORDSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742251 662646663 /nfs/dbraw/zinc/64/66/63/662646663.db2.gz JMRHOVZULYRXBC-NXEZZACHSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000981742251 662646664 /nfs/dbraw/zinc/64/66/64/662646664.db2.gz JMRHOVZULYRXBC-NXEZZACHSA-N 1 1 310.354 -1.107 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750644 662646666 /nfs/dbraw/zinc/64/66/66/662646666.db2.gz FPDZTLRFOWVOGH-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1=O ZINC000981750644 662646667 /nfs/dbraw/zinc/64/66/67/662646667.db2.gz FPDZTLRFOWVOGH-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750789 662646715 /nfs/dbraw/zinc/64/67/15/662646715.db2.gz JULJAXJZUDQMBW-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981750789 662646717 /nfs/dbraw/zinc/64/67/17/662646717.db2.gz JULJAXJZUDQMBW-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751448 662646814 /nfs/dbraw/zinc/64/68/14/662646814.db2.gz RURLZFWEIWFZAU-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751448 662646816 /nfs/dbraw/zinc/64/68/16/662646816.db2.gz RURLZFWEIWFZAU-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)n1 ZINC000981777593 662647125 /nfs/dbraw/zinc/64/71/25/662647125.db2.gz KWBDZWPXLQADJA-UHFFFAOYSA-N 1 1 322.373 -1.617 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@@H+](CCN3CCNC3=O)CC2)n1 ZINC000981777593 662647126 /nfs/dbraw/zinc/64/71/26/662647126.db2.gz KWBDZWPXLQADJA-UHFFFAOYSA-N 1 1 322.373 -1.617 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981749879 662647263 /nfs/dbraw/zinc/64/72/63/662647263.db2.gz LKASWJPLGSBZGB-GFCCVEGCSA-N 1 1 306.370 -1.052 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751452 662647313 /nfs/dbraw/zinc/64/73/13/662647313.db2.gz RURLZFWEIWFZAU-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751452 662647315 /nfs/dbraw/zinc/64/73/15/662647315.db2.gz RURLZFWEIWFZAU-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001028129645 662647441 /nfs/dbraw/zinc/64/74/41/662647441.db2.gz SUAFBSFBKSHHJK-MRVPVSSYSA-N 1 1 317.371 -1.756 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000981819328 662647477 /nfs/dbraw/zinc/64/74/77/662647477.db2.gz WLNXRWQJYLPQKJ-MNOVXSKESA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000981810497 662647682 /nfs/dbraw/zinc/64/76/82/662647682.db2.gz SJHHXIYJJLHNEY-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000981810497 662647684 /nfs/dbraw/zinc/64/76/84/662647684.db2.gz SJHHXIYJJLHNEY-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771198 662647703 /nfs/dbraw/zinc/64/77/03/662647703.db2.gz PGGKKBIYPQPKJX-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC000981771198 662647704 /nfs/dbraw/zinc/64/77/04/662647704.db2.gz PGGKKBIYPQPKJX-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134272 662647924 /nfs/dbraw/zinc/64/79/24/662647924.db2.gz QLYPLUGTRVPHPE-OUAUKWLOSA-N 1 1 312.370 -1.654 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001028134272 662647926 /nfs/dbraw/zinc/64/79/26/662647926.db2.gz QLYPLUGTRVPHPE-OUAUKWLOSA-N 1 1 312.370 -1.654 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981853732 662648365 /nfs/dbraw/zinc/64/83/65/662648365.db2.gz VBPJOQIWQBJZQH-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000981853732 662648369 /nfs/dbraw/zinc/64/83/69/662648369.db2.gz VBPJOQIWQBJZQH-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001028139833 662648535 /nfs/dbraw/zinc/64/85/35/662648535.db2.gz CXRUUEARVLKTTI-UTUOFQBUSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001028139833 662648538 /nfs/dbraw/zinc/64/85/38/662648538.db2.gz CXRUUEARVLKTTI-UTUOFQBUSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000981864804 662648898 /nfs/dbraw/zinc/64/88/98/662648898.db2.gz HAPJUJATIITOFF-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)C1(C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000981864804 662648899 /nfs/dbraw/zinc/64/88/99/662648899.db2.gz HAPJUJATIITOFF-JTQLQIEISA-N 1 1 322.365 -1.409 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981932613 662649574 /nfs/dbraw/zinc/64/95/74/662649574.db2.gz CBZYOTFWPFRGIT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000981932613 662649576 /nfs/dbraw/zinc/64/95/76/662649576.db2.gz CBZYOTFWPFRGIT-LLVKDONJSA-N 1 1 308.382 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC000981932500 662649945 /nfs/dbraw/zinc/64/99/45/662649945.db2.gz ABUFUSPVQVUUHK-QWRGUYRKSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC000981932500 662649948 /nfs/dbraw/zinc/64/99/48/662649948.db2.gz ABUFUSPVQVUUHK-QWRGUYRKSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC000981932502 662650087 /nfs/dbraw/zinc/65/00/87/662650087.db2.gz ABUFUSPVQVUUHK-WDEREUQCSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)C1 ZINC000981932502 662650089 /nfs/dbraw/zinc/65/00/89/662650089.db2.gz ABUFUSPVQVUUHK-WDEREUQCSA-N 1 1 308.382 -1.092 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC000981935776 662650146 /nfs/dbraw/zinc/65/01/46/662650146.db2.gz SEHVELKHBDTGOI-SNVBAGLBSA-N 1 1 309.370 -1.580 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC000981935776 662650149 /nfs/dbraw/zinc/65/01/49/662650149.db2.gz SEHVELKHBDTGOI-SNVBAGLBSA-N 1 1 309.370 -1.580 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@@H]1CCNC(=O)C1 ZINC001038158774 662650531 /nfs/dbraw/zinc/65/05/31/662650531.db2.gz UQEWBGLIFBHVFS-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@@H]1CCNC(=O)C1 ZINC001038158774 662650532 /nfs/dbraw/zinc/65/05/32/662650532.db2.gz UQEWBGLIFBHVFS-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171373 662650576 /nfs/dbraw/zinc/65/05/76/662650576.db2.gz FWILBZUUYUXTSP-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171373 662650578 /nfs/dbraw/zinc/65/05/78/662650578.db2.gz FWILBZUUYUXTSP-IUCAKERBSA-N 1 1 311.342 -2.089 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981971776 662650708 /nfs/dbraw/zinc/65/07/08/662650708.db2.gz CFFTYRAYIUBDIT-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981971776 662650714 /nfs/dbraw/zinc/65/07/14/662650714.db2.gz CFFTYRAYIUBDIT-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981975581 662650733 /nfs/dbraw/zinc/65/07/33/662650733.db2.gz XUSPQSUOMYRPIG-MNOVXSKESA-N 1 1 321.381 -1.519 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028178998 662650748 /nfs/dbraw/zinc/65/07/48/662650748.db2.gz SRSQRXZVTPHNKR-MNOVXSKESA-N 1 1 324.381 -1.341 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975419 662650898 /nfs/dbraw/zinc/65/08/98/662650898.db2.gz RIBAMMLVOUFJJP-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981975580 662650903 /nfs/dbraw/zinc/65/09/03/662650903.db2.gz XUSPQSUOMYRPIG-GHMZBOCLSA-N 1 1 321.381 -1.519 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CCO)c(=O)n(C)c1=O ZINC001028178083 662650907 /nfs/dbraw/zinc/65/09/07/662650907.db2.gz JYFGBVFNFPPOIF-SNVBAGLBSA-N 1 1 310.354 -1.730 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028179000 662651000 /nfs/dbraw/zinc/65/10/00/662651000.db2.gz SRSQRXZVTPHNKR-WDEREUQCSA-N 1 1 324.381 -1.341 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)S1(=O)=O ZINC001028197038 662651372 /nfs/dbraw/zinc/65/13/72/662651372.db2.gz WCPMPYZPPLPQAN-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201326 662651529 /nfs/dbraw/zinc/65/15/29/662651529.db2.gz DSJMYLYRBWQASH-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201326 662651530 /nfs/dbraw/zinc/65/15/30/662651530.db2.gz DSJMYLYRBWQASH-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202083 662651558 /nfs/dbraw/zinc/65/15/58/662651558.db2.gz QCUCVXNIXHJDRK-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202083 662651559 /nfs/dbraw/zinc/65/15/59/662651559.db2.gz QCUCVXNIXHJDRK-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201588 662651638 /nfs/dbraw/zinc/65/16/38/662651638.db2.gz HUYULMHSUBMZRI-QWRGUYRKSA-N 1 1 324.381 -1.116 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202429 662651674 /nfs/dbraw/zinc/65/16/74/662651674.db2.gz ZWNSTZFWTTVBQA-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202429 662651676 /nfs/dbraw/zinc/65/16/76/662651676.db2.gz ZWNSTZFWTTVBQA-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028201587 662651737 /nfs/dbraw/zinc/65/17/37/662651737.db2.gz HUYULMHSUBMZRI-MNOVXSKESA-N 1 1 324.381 -1.116 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202082 662651758 /nfs/dbraw/zinc/65/17/58/662651758.db2.gz QCUCVXNIXHJDRK-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001028202082 662651759 /nfs/dbraw/zinc/65/17/59/662651759.db2.gz QCUCVXNIXHJDRK-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201324 662651853 /nfs/dbraw/zinc/65/18/53/662651853.db2.gz DSJMYLYRBWQASH-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001028201324 662651855 /nfs/dbraw/zinc/65/18/55/662651855.db2.gz DSJMYLYRBWQASH-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000982073146 662652048 /nfs/dbraw/zinc/65/20/48/662652048.db2.gz IONCTEKOBVSPHO-NSHDSACASA-N 1 1 324.381 -1.157 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000949143610 662652066 /nfs/dbraw/zinc/65/20/66/662652066.db2.gz LTVDAGHTRYQALT-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1cc(C(=O)N2CCC[N@@H+](CCO)CC2)c(=O)n(C)c1=O ZINC000982067298 662652367 /nfs/dbraw/zinc/65/23/67/662652367.db2.gz UTFAYILLTQRPRJ-UHFFFAOYSA-N 1 1 310.354 -1.776 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)c1cnon1 ZINC001028215750 662652674 /nfs/dbraw/zinc/65/26/74/662652674.db2.gz XKDPFHGPFAROEA-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O)c1cnon1 ZINC001028215750 662652675 /nfs/dbraw/zinc/65/26/75/662652675.db2.gz XKDPFHGPFAROEA-SECBINFHSA-N 1 1 322.325 -1.184 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982154066 662652698 /nfs/dbraw/zinc/65/26/98/662652698.db2.gz QDACKBNIQVSCIF-NSHDSACASA-N 1 1 317.411 -1.405 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958374327 662653518 /nfs/dbraw/zinc/65/35/18/662653518.db2.gz YMOMELKBSOAYMD-GUBZILKMSA-N 1 1 321.324 -1.388 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958374327 662653519 /nfs/dbraw/zinc/65/35/19/662653519.db2.gz YMOMELKBSOAYMD-GUBZILKMSA-N 1 1 321.324 -1.388 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982272483 662654073 /nfs/dbraw/zinc/65/40/73/662654073.db2.gz NWDJXMIWLSJFPO-QCZZGDTMSA-N 1 1 310.354 -1.250 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982272483 662654077 /nfs/dbraw/zinc/65/40/77/662654077.db2.gz NWDJXMIWLSJFPO-QCZZGDTMSA-N 1 1 310.354 -1.250 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 ZINC000982280872 662654441 /nfs/dbraw/zinc/65/44/41/662654441.db2.gz INTILDDRGNVYQS-OKILXGFUSA-N 1 1 321.385 -1.411 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001028254364 662655693 /nfs/dbraw/zinc/65/56/93/662655693.db2.gz SSXXOKROCLTFHU-WDEREUQCSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001028254364 662655696 /nfs/dbraw/zinc/65/56/96/662655696.db2.gz SSXXOKROCLTFHU-WDEREUQCSA-N 1 1 311.386 -1.015 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)nnn1C ZINC001010425241 662657925 /nfs/dbraw/zinc/65/79/25/662657925.db2.gz YBAVSCBSPFBCBT-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)nnn1C ZINC001010425241 662657926 /nfs/dbraw/zinc/65/79/26/662657926.db2.gz YBAVSCBSPFBCBT-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO Cn1ncnc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426357 662658065 /nfs/dbraw/zinc/65/80/65/662658065.db2.gz HLECPLZYOFKYFZ-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426357 662658067 /nfs/dbraw/zinc/65/80/67/662658067.db2.gz HLECPLZYOFKYFZ-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@]12CN(C(=O)CN3CCNC(=O)C3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982433124 662659868 /nfs/dbraw/zinc/65/98/68/662659868.db2.gz REQJWEQRAAGVSS-IYBDPMFKSA-N 1 1 324.425 -1.419 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936907915 662660198 /nfs/dbraw/zinc/66/01/98/662660198.db2.gz ASYKGDPVNRFALV-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936907916 662660258 /nfs/dbraw/zinc/66/02/58/662660258.db2.gz ASYKGDPVNRFALV-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000936906891 662660271 /nfs/dbraw/zinc/66/02/71/662660271.db2.gz WFKHJOBASQPUID-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001028306550 662665606 /nfs/dbraw/zinc/66/56/06/662665606.db2.gz JGSTVISMBHAMND-NSHDSACASA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(N)=O)CC1 ZINC001028306550 662665608 /nfs/dbraw/zinc/66/56/08/662665608.db2.gz JGSTVISMBHAMND-NSHDSACASA-N 1 1 311.386 -1.157 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000937001955 662667383 /nfs/dbraw/zinc/66/73/83/662667383.db2.gz PBVKWDPBASNISX-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000937001955 662667388 /nfs/dbraw/zinc/66/73/88/662667388.db2.gz PBVKWDPBASNISX-WDEREUQCSA-N 1 1 322.369 -1.192 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001028327189 662667469 /nfs/dbraw/zinc/66/74/69/662667469.db2.gz WOAJMTRYNZGSDD-VXGBXAGGSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001028327189 662667470 /nfs/dbraw/zinc/66/74/70/662667470.db2.gz WOAJMTRYNZGSDD-VXGBXAGGSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001028333077 662668137 /nfs/dbraw/zinc/66/81/37/662668137.db2.gz CPCOLAQICHRWGJ-GHMZBOCLSA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001028333077 662668140 /nfs/dbraw/zinc/66/81/40/662668140.db2.gz CPCOLAQICHRWGJ-GHMZBOCLSA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001028333080 662668186 /nfs/dbraw/zinc/66/81/86/662668186.db2.gz CPCOLAQICHRWGJ-QWRGUYRKSA-N 1 1 306.370 -1.094 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nncn2C1 ZINC001028333080 662668190 /nfs/dbraw/zinc/66/81/90/662668190.db2.gz CPCOLAQICHRWGJ-QWRGUYRKSA-N 1 1 306.370 -1.094 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335269 662668695 /nfs/dbraw/zinc/66/86/95/662668695.db2.gz RAZZQEBRJRYAAA-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028335268 662668800 /nfs/dbraw/zinc/66/88/00/662668800.db2.gz RAZZQEBRJRYAAA-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334844 662668852 /nfs/dbraw/zinc/66/88/52/662668852.db2.gz JCGCSSSRYCXSCE-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334844 662668854 /nfs/dbraw/zinc/66/88/54/662668854.db2.gz JCGCSSSRYCXSCE-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334847 662668994 /nfs/dbraw/zinc/66/89/94/662668994.db2.gz JCGCSSSRYCXSCE-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334847 662668997 /nfs/dbraw/zinc/66/89/97/662668997.db2.gz JCGCSSSRYCXSCE-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336651 662669172 /nfs/dbraw/zinc/66/91/72/662669172.db2.gz AQCOVJBJAOYNIU-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336651 662669174 /nfs/dbraw/zinc/66/91/74/662669174.db2.gz AQCOVJBJAOYNIU-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336906 662669226 /nfs/dbraw/zinc/66/92/26/662669226.db2.gz FXEJVOPSSPANAM-JTQLQIEISA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001028336906 662669228 /nfs/dbraw/zinc/66/92/28/662669228.db2.gz FXEJVOPSSPANAM-JTQLQIEISA-N 1 1 309.370 -1.336 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)n(C)c1=O ZINC001028339146 662669241 /nfs/dbraw/zinc/66/92/41/662669241.db2.gz PFZQNRNLBRUYBH-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)n(C)c1=O ZINC001028339146 662669244 /nfs/dbraw/zinc/66/92/44/662669244.db2.gz PFZQNRNLBRUYBH-GHMZBOCLSA-N 1 1 321.381 -1.194 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1=O ZINC000982504462 662671351 /nfs/dbraw/zinc/67/13/51/662671351.db2.gz WBARXXMKYQBUAS-NZVBXONLSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](CC(=O)NC1CC1)C2 ZINC000982503464 662671518 /nfs/dbraw/zinc/67/15/18/662671518.db2.gz OCGZUGVFNQVJEN-GASCZTMLSA-N 1 1 308.382 -1.079 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028449258 662671961 /nfs/dbraw/zinc/67/19/61/662671961.db2.gz YJFXHWXBKPFDSN-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001028449258 662671963 /nfs/dbraw/zinc/67/19/63/662671963.db2.gz YJFXHWXBKPFDSN-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO Nc1nccnc1C(=O)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001028455074 662672405 /nfs/dbraw/zinc/67/24/05/662672405.db2.gz PTPQEAWDJYKWOF-NXEZZACHSA-N 1 1 304.354 -1.001 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1N ZINC001028496977 662672928 /nfs/dbraw/zinc/67/29/28/662672928.db2.gz NZHUBKPVGJBQEK-MWLCHTKSSA-N 1 1 306.370 -1.058 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001028489842 662673088 /nfs/dbraw/zinc/67/30/88/662673088.db2.gz CDPTYGVYYFIQGI-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894135839 662673576 /nfs/dbraw/zinc/67/35/76/662673576.db2.gz XGWPTBYMKNXFPE-SECBINFHSA-N 1 1 322.369 -1.537 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577157 662674494 /nfs/dbraw/zinc/67/44/94/662674494.db2.gz GHXFSSDGTPCTTP-CMPLNLGQSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CNC(=O)c3cnon3)C2)C1 ZINC000982577157 662674495 /nfs/dbraw/zinc/67/44/95/662674495.db2.gz GHXFSSDGTPCTTP-CMPLNLGQSA-N 1 1 323.353 -1.022 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001028512868 662674502 /nfs/dbraw/zinc/67/45/02/662674502.db2.gz KBGFSQKHMGXTRS-ZJUUUORDSA-N 1 1 320.353 -1.328 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001028505647 662674773 /nfs/dbraw/zinc/67/47/73/662674773.db2.gz JWCUUBOFGCJJAP-WCQYABFASA-N 1 1 308.382 -1.209 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)n1 ZINC001028553167 662674912 /nfs/dbraw/zinc/67/49/12/662674912.db2.gz CRHLXUNQMCZOCZ-VIFPVBQESA-N 1 1 309.374 -1.035 20 0 DAADMO CC(C)(C)n1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)n1 ZINC001028553167 662674915 /nfs/dbraw/zinc/67/49/15/662674915.db2.gz CRHLXUNQMCZOCZ-VIFPVBQESA-N 1 1 309.374 -1.035 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000982683608 662677026 /nfs/dbraw/zinc/67/70/26/662677026.db2.gz VHZQLTWCADFCKL-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)CCn3cnnn3)CC2)C1=O ZINC000982683608 662677029 /nfs/dbraw/zinc/67/70/29/662677029.db2.gz VHZQLTWCADFCKL-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC1=O ZINC001028577880 662677122 /nfs/dbraw/zinc/67/71/22/662677122.db2.gz HDLRETYLILIBMV-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO COCCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1=O ZINC001028577883 662677206 /nfs/dbraw/zinc/67/72/06/662677206.db2.gz HDLRETYLILIBMV-STQMWFEESA-N 1 1 313.398 -1.088 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000982784447 662679321 /nfs/dbraw/zinc/67/93/21/662679321.db2.gz WBBQYNXERJIEOJ-GHMZBOCLSA-N 1 1 321.385 -1.260 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000982784457 662679402 /nfs/dbraw/zinc/67/94/02/662679402.db2.gz WBBQYNXERJIEOJ-MNOVXSKESA-N 1 1 321.385 -1.260 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055321 662681046 /nfs/dbraw/zinc/68/10/46/662681046.db2.gz CTUYPKYQDSQFBD-MNOVXSKESA-N 1 1 321.385 -1.308 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001028605169 662681059 /nfs/dbraw/zinc/68/10/59/662681059.db2.gz MPCHJLDSPJMUCV-ZYHUDNBSSA-N 1 1 319.365 -1.280 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602023 662681285 /nfs/dbraw/zinc/68/12/85/662681285.db2.gz BYDNWKZLSQZOKD-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC001028606310 662681635 /nfs/dbraw/zinc/68/16/35/662681635.db2.gz QEDGNHWINLKKMT-SNVBAGLBSA-N 1 1 307.354 -1.050 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)co1 ZINC001028638084 662682386 /nfs/dbraw/zinc/68/23/86/662682386.db2.gz CRHLGQRZALOUID-SECBINFHSA-N 1 1 317.367 -1.029 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001028641325 662682635 /nfs/dbraw/zinc/68/26/35/662682635.db2.gz DMQOKOIWTIMGSJ-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001028640681 662682646 /nfs/dbraw/zinc/68/26/46/662682646.db2.gz UNHIMPWYASGRIZ-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966408 662683309 /nfs/dbraw/zinc/68/33/09/662683309.db2.gz YPWWKZBARUUSBH-PWSUYJOCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000982966408 662683310 /nfs/dbraw/zinc/68/33/10/662683310.db2.gz YPWWKZBARUUSBH-PWSUYJOCSA-N 1 1 322.369 -1.286 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001028653280 662683328 /nfs/dbraw/zinc/68/33/28/662683328.db2.gz LRDHFELJPXAAHF-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001028653280 662683329 /nfs/dbraw/zinc/68/33/29/662683329.db2.gz LRDHFELJPXAAHF-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001028653280 662683330 /nfs/dbraw/zinc/68/33/30/662683330.db2.gz LRDHFELJPXAAHF-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCCC3=O)C2)n1 ZINC000983112532 662684799 /nfs/dbraw/zinc/68/47/99/662684799.db2.gz HOPLONOYOGBWBG-XYPYZODXSA-N 1 1 321.385 -1.183 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001028686243 662685008 /nfs/dbraw/zinc/68/50/08/662685008.db2.gz JYLYZDJWKQHRFR-SNVBAGLBSA-N 1 1 317.353 -1.078 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000983128605 662685250 /nfs/dbraw/zinc/68/52/50/662685250.db2.gz KAAFWCAEODKKIG-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000983128608 662685331 /nfs/dbraw/zinc/68/53/31/662685331.db2.gz KAAFWCAEODKKIG-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000983128610 662685473 /nfs/dbraw/zinc/68/54/73/662685473.db2.gz KAAFWCAEODKKIG-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO NC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698491 662686111 /nfs/dbraw/zinc/68/61/11/662686111.db2.gz LAULFKLNNNKKHB-ZMDMRTEPSA-N 1 1 322.409 -1.227 20 0 DAADMO NC(=O)CN1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698491 662686115 /nfs/dbraw/zinc/68/61/15/662686115.db2.gz LAULFKLNNNKKHB-ZMDMRTEPSA-N 1 1 322.409 -1.227 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702934 662686393 /nfs/dbraw/zinc/68/63/93/662686393.db2.gz OISPXZWXNIYRGO-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707678 662686519 /nfs/dbraw/zinc/68/65/19/662686519.db2.gz VAYBWKMEFIJXMM-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702938 662686527 /nfs/dbraw/zinc/68/65/27/662686527.db2.gz OISPXZWXNIYRGO-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000983199892 662687550 /nfs/dbraw/zinc/68/75/50/662687550.db2.gz SOLHXVIUAUKLNS-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206721 662688360 /nfs/dbraw/zinc/68/83/60/662688360.db2.gz TUFUVGRXFQPGDW-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206721 662688361 /nfs/dbraw/zinc/68/83/61/662688361.db2.gz TUFUVGRXFQPGDW-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001028724834 662688381 /nfs/dbraw/zinc/68/83/81/662688381.db2.gz PEGYYZASBSHKCC-SNVBAGLBSA-N 1 1 320.357 -1.262 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741123 662689121 /nfs/dbraw/zinc/68/91/21/662689121.db2.gz VORHCKZZZUMMNM-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741123 662689123 /nfs/dbraw/zinc/68/91/23/662689123.db2.gz VORHCKZZZUMMNM-ZYHUDNBSSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC001028743165 662689228 /nfs/dbraw/zinc/68/92/28/662689228.db2.gz BKFNUXSVLMCMID-NSHDSACASA-N 1 1 321.385 -1.116 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028735892 662689253 /nfs/dbraw/zinc/68/92/53/662689253.db2.gz SVMADRNMTIYQSM-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC001028735892 662689254 /nfs/dbraw/zinc/68/92/54/662689254.db2.gz SVMADRNMTIYQSM-SECBINFHSA-N 1 1 303.326 -1.339 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741025 662689342 /nfs/dbraw/zinc/68/93/42/662689342.db2.gz VORHCKZZZUMMNM-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)NC1=O ZINC001028741025 662689344 /nfs/dbraw/zinc/68/93/44/662689344.db2.gz VORHCKZZZUMMNM-CMPLNLGQSA-N 1 1 321.385 -1.223 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001028740158 662689477 /nfs/dbraw/zinc/68/94/77/662689477.db2.gz OLFQSRVVOBZUMH-VXGBXAGGSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001028744319 662689573 /nfs/dbraw/zinc/68/95/73/662689573.db2.gz KTFVGAJEOFEAGS-VIFPVBQESA-N 1 1 307.358 -1.460 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001028740151 662689584 /nfs/dbraw/zinc/68/95/84/662689584.db2.gz OLFQSRVVOBZUMH-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001028748394 662689827 /nfs/dbraw/zinc/68/98/27/662689827.db2.gz LFXRNWOMDKLGDK-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746059 662689837 /nfs/dbraw/zinc/68/98/37/662689837.db2.gz MHBDGJVOHDWXCR-VHSXEESVSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001028749938 662689919 /nfs/dbraw/zinc/68/99/19/662689919.db2.gz RNTDUMYZQYZBFE-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028749235 662689992 /nfs/dbraw/zinc/68/99/92/662689992.db2.gz RKXNOSRZQGVDBR-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001028747787 662689995 /nfs/dbraw/zinc/68/99/95/662689995.db2.gz FGJWYWRRMNZWAF-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028749720 662690020 /nfs/dbraw/zinc/69/00/20/662690020.db2.gz WWXWYORRVOLBGF-RKDXNWHRSA-N 1 1 321.341 -1.933 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001028747780 662690067 /nfs/dbraw/zinc/69/00/67/662690067.db2.gz FGJWYWRRMNZWAF-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001028749939 662690136 /nfs/dbraw/zinc/69/01/36/662690136.db2.gz RNTDUMYZQYZBFE-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028749717 662690175 /nfs/dbraw/zinc/69/01/75/662690175.db2.gz WWXWYORRVOLBGF-BDAKNGLRSA-N 1 1 321.341 -1.933 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028749719 662690277 /nfs/dbraw/zinc/69/02/77/662690277.db2.gz WWXWYORRVOLBGF-IUCAKERBSA-N 1 1 321.341 -1.933 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001028747786 662690305 /nfs/dbraw/zinc/69/03/05/662690305.db2.gz FGJWYWRRMNZWAF-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001028773348 662690367 /nfs/dbraw/zinc/69/03/67/662690367.db2.gz KZKWWWFRPWKJQS-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001028766659 662690414 /nfs/dbraw/zinc/69/04/14/662690414.db2.gz XYHRRJZFRYMXGS-GXSJLCMTSA-N 1 1 305.338 -1.290 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028766155 662690469 /nfs/dbraw/zinc/69/04/69/662690469.db2.gz NJIGYXVQIVFWHK-SNVBAGLBSA-N 1 1 307.354 -1.090 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028764117 662690526 /nfs/dbraw/zinc/69/05/26/662690526.db2.gz ZJLZEWQHUDEXMX-VIFPVBQESA-N 1 1 317.353 -1.100 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028764117 662690531 /nfs/dbraw/zinc/69/05/31/662690531.db2.gz ZJLZEWQHUDEXMX-VIFPVBQESA-N 1 1 317.353 -1.100 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028772575 662690625 /nfs/dbraw/zinc/69/06/25/662690625.db2.gz DASPRFGCZXEGPM-MWLCHTKSSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028772575 662690626 /nfs/dbraw/zinc/69/06/26/662690626.db2.gz DASPRFGCZXEGPM-MWLCHTKSSA-N 1 1 307.358 -1.565 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028768847 662690654 /nfs/dbraw/zinc/69/06/54/662690654.db2.gz WNRPSUYMHOPGIZ-UWVGGRQHSA-N 1 1 307.354 -1.044 20 0 DAADMO CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773241 662690675 /nfs/dbraw/zinc/69/06/75/662690675.db2.gz KEUDAHICSXBGEN-PWSUYJOCSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028773241 662690680 /nfs/dbraw/zinc/69/06/80/662690680.db2.gz KEUDAHICSXBGEN-PWSUYJOCSA-N 1 1 321.385 -1.083 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001028773376 662690704 /nfs/dbraw/zinc/69/07/04/662690704.db2.gz LFLXXTRTZSTVOU-WDEREUQCSA-N 1 1 324.385 -1.869 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001028768848 662690898 /nfs/dbraw/zinc/69/08/98/662690898.db2.gz WNRPSUYMHOPGIZ-VHSXEESVSA-N 1 1 307.354 -1.044 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001028772656 662691047 /nfs/dbraw/zinc/69/10/47/662691047.db2.gz FESYMYAZGKFDGO-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028795005 662691850 /nfs/dbraw/zinc/69/18/50/662691850.db2.gz QJFGFCHZPOTUGW-QMMMGPOBSA-N 1 1 317.371 -1.899 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000928145862 662691896 /nfs/dbraw/zinc/69/18/96/662691896.db2.gz USAKWOSDBYNYOI-LLVKDONJSA-N 1 1 316.427 -1.296 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001028801436 662691974 /nfs/dbraw/zinc/69/19/74/662691974.db2.gz VAWHEZVQELHJMQ-GRYCIOLGSA-N 1 1 310.398 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028816368 662692146 /nfs/dbraw/zinc/69/21/46/662692146.db2.gz CJXKSYVGZPXLEL-QWRGUYRKSA-N 1 1 321.385 -1.451 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001028801257 662692158 /nfs/dbraw/zinc/69/21/58/662692158.db2.gz QEKCEXUOYLVAJZ-OUAUKWLOSA-N 1 1 312.370 -1.797 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001028807205 662692187 /nfs/dbraw/zinc/69/21/87/662692187.db2.gz DNSZKPSNDCYJGV-TUAOUCFPSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001028801437 662692298 /nfs/dbraw/zinc/69/22/98/662692298.db2.gz VAWHEZVQELHJMQ-SDDRHHMPSA-N 1 1 310.398 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001028801256 662692347 /nfs/dbraw/zinc/69/23/47/662692347.db2.gz QEKCEXUOYLVAJZ-GARJFASQSA-N 1 1 312.370 -1.797 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)cn1 ZINC001028857567 662692723 /nfs/dbraw/zinc/69/27/23/662692723.db2.gz YEWHLRSQMYBUFC-GFCCVEGCSA-N 1 1 322.413 -1.018 20 0 DAADMO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCN(CC(N)=O)C2)cn1 ZINC001028857567 662692724 /nfs/dbraw/zinc/69/27/24/662692724.db2.gz YEWHLRSQMYBUFC-GFCCVEGCSA-N 1 1 322.413 -1.018 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)n1 ZINC001028865259 662693046 /nfs/dbraw/zinc/69/30/46/662693046.db2.gz OLDXNOINDBPPPR-KOLCDFICSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028865323 662693054 /nfs/dbraw/zinc/69/30/54/662693054.db2.gz PCNVFKRCMHRUNX-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028865323 662693057 /nfs/dbraw/zinc/69/30/57/662693057.db2.gz PCNVFKRCMHRUNX-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028867141 662693265 /nfs/dbraw/zinc/69/32/65/662693265.db2.gz YZRDBSDXHPSRFO-VIFPVBQESA-N 1 1 310.354 -1.777 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1nnc[nH]1 ZINC001028876791 662693456 /nfs/dbraw/zinc/69/34/56/662693456.db2.gz ISLVHQBEBDPAHO-BDAKNGLRSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876791 662693457 /nfs/dbraw/zinc/69/34/57/662693457.db2.gz ISLVHQBEBDPAHO-BDAKNGLRSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001028876791 662693458 /nfs/dbraw/zinc/69/34/58/662693458.db2.gz ISLVHQBEBDPAHO-BDAKNGLRSA-N 1 1 306.326 -1.338 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001028866718 662693470 /nfs/dbraw/zinc/69/34/70/662693470.db2.gz SGWXLUHKBWFNQH-ONGXEEELSA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001028941205 662693748 /nfs/dbraw/zinc/69/37/48/662693748.db2.gz VDPDFSCOHDAAPN-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928640 662693845 /nfs/dbraw/zinc/69/38/45/662693845.db2.gz NGDQISQCWUETQJ-UWVGGRQHSA-N 1 1 320.353 -1.150 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001028920573 662693882 /nfs/dbraw/zinc/69/38/82/662693882.db2.gz BQMFHRLZHBTWRG-MNOVXSKESA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001028936031 662694082 /nfs/dbraw/zinc/69/40/82/662694082.db2.gz PFZBSNGZYUMWLZ-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028926028 662694274 /nfs/dbraw/zinc/69/42/74/662694274.db2.gz JKKUAERLEASQQI-QMMMGPOBSA-N 1 1 312.326 -1.060 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000894334563 662694286 /nfs/dbraw/zinc/69/42/86/662694286.db2.gz DBROZBKQJQREFD-UHFFFAOYSA-N 1 1 321.447 -1.576 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979959 662694455 /nfs/dbraw/zinc/69/44/55/662694455.db2.gz IKBKIRYGOWVYRS-VIFPVBQESA-N 1 1 323.353 -1.716 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028971219 662694461 /nfs/dbraw/zinc/69/44/61/662694461.db2.gz HSNRUBUXLVNXHD-BDAKNGLRSA-N 1 1 320.353 -1.499 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990942 662694466 /nfs/dbraw/zinc/69/44/66/662694466.db2.gz UVBVSKGOQZIPGG-NXEZZACHSA-N 1 1 318.399 -2.138 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001028993399 662694482 /nfs/dbraw/zinc/69/44/82/662694482.db2.gz YHQJWWSXUWITMW-WDEREUQCSA-N 1 1 305.400 -1.501 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001028990416 662694695 /nfs/dbraw/zinc/69/46/95/662694695.db2.gz IFJHZJBRCPDSQL-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028971002 662694739 /nfs/dbraw/zinc/69/47/39/662694739.db2.gz DJOKFPIDAGOKKU-ZJUUUORDSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001028979821 662694781 /nfs/dbraw/zinc/69/47/81/662694781.db2.gz GEQWJYNPVZLTPP-NXEZZACHSA-N 1 1 310.354 -1.082 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001028971483 662694812 /nfs/dbraw/zinc/69/48/12/662694812.db2.gz PCQRVXKRWBIPNR-PWSUYJOCSA-N 1 1 319.365 -1.280 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029004253 662694993 /nfs/dbraw/zinc/69/49/93/662694993.db2.gz YAQDZCYAXYTRPF-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995243 662695050 /nfs/dbraw/zinc/69/50/50/662695050.db2.gz JWZUHDAREAHEDI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000619 662695094 /nfs/dbraw/zinc/69/50/94/662695094.db2.gz GLJRUNOFQDCEOI-BDAKNGLRSA-N 1 1 323.357 -2.311 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003081 662695149 /nfs/dbraw/zinc/69/51/49/662695149.db2.gz BALAFDBVLBRFQU-SNVBAGLBSA-N 1 1 310.358 -1.539 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001029006357 662695239 /nfs/dbraw/zinc/69/52/39/662695239.db2.gz IHDSBAWVMQSRRX-MNOVXSKESA-N 1 1 321.381 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001029011418 662695340 /nfs/dbraw/zinc/69/53/40/662695340.db2.gz JNYPDCBMCPXQII-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)n(C)c1=O ZINC001029006356 662695357 /nfs/dbraw/zinc/69/53/57/662695357.db2.gz IHDSBAWVMQSRRX-GHMZBOCLSA-N 1 1 321.381 -1.336 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001029000822 662695413 /nfs/dbraw/zinc/69/54/13/662695413.db2.gz KJNGTTCROBKMBB-WDEREUQCSA-N 1 1 306.370 -1.236 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029027669 662695601 /nfs/dbraw/zinc/69/56/01/662695601.db2.gz QMKHGSVXXFBGAX-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029027669 662695602 /nfs/dbraw/zinc/69/56/02/662695602.db2.gz QMKHGSVXXFBGAX-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029028039 662695825 /nfs/dbraw/zinc/69/58/25/662695825.db2.gz YEKFDSCWMBLWAP-JTQLQIEISA-N 1 1 319.365 -1.022 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001029249818 662697921 /nfs/dbraw/zinc/69/79/21/662697921.db2.gz MKGRKWOJAQJYRV-XQQFMLRXSA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001029246270 662697938 /nfs/dbraw/zinc/69/79/38/662697938.db2.gz AONMXBULKBQKDP-AOOOYVTPSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001029246270 662697940 /nfs/dbraw/zinc/69/79/40/662697940.db2.gz AONMXBULKBQKDP-AOOOYVTPSA-N 1 1 323.353 -1.911 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000889761095 662698017 /nfs/dbraw/zinc/69/80/17/662698017.db2.gz JMILDAZRANNZQU-KBPBESRZSA-N 1 1 324.425 -1.182 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000937465136 662698421 /nfs/dbraw/zinc/69/84/21/662698421.db2.gz QQDYTVVLUSJLSG-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698356 /nfs/dbraw/zinc/69/83/56/662698356.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 1 1 322.409 -1.119 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)C1 ZINC001029254904 662698359 /nfs/dbraw/zinc/69/83/59/662698359.db2.gz GPSIAFBBFHSAKP-RQJABVFESA-N 1 1 322.409 -1.119 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)C(N)=O)C1 ZINC000937465136 662698419 /nfs/dbraw/zinc/69/84/19/662698419.db2.gz QQDYTVVLUSJLSG-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000665103103 662698652 /nfs/dbraw/zinc/69/86/52/662698652.db2.gz JENZLQGSIDJOGP-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001029280214 662698747 /nfs/dbraw/zinc/69/87/47/662698747.db2.gz ZCJCPRPVKGHPHF-RQJABVFESA-N 1 1 322.409 -1.119 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001029295768 662699409 /nfs/dbraw/zinc/69/94/09/662699409.db2.gz BBXRRUGGFFOPJK-UMNHJUIQSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001029295768 662699410 /nfs/dbraw/zinc/69/94/10/662699410.db2.gz BBXRRUGGFFOPJK-UMNHJUIQSA-N 1 1 304.354 -1.008 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C[C@H]1C ZINC000947802459 662700690 /nfs/dbraw/zinc/70/06/90/662700690.db2.gz ZPBYHESRCMIDJM-MWLCHTKSSA-N 1 1 324.381 -1.246 20 0 DAADMO CS(=O)(=O)NCCNC(=S)N1CC[NH+](CCO)CC1 ZINC000727063581 662700871 /nfs/dbraw/zinc/70/08/71/662700871.db2.gz FMRQMTVFIYYGTC-UHFFFAOYSA-N 1 1 310.445 -1.980 20 0 DAADMO CC(=O)NCc1nc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(=O)[nH]1 ZINC000984125988 662701376 /nfs/dbraw/zinc/70/13/76/662701376.db2.gz JYXQUZDCLAXTIG-LLVKDONJSA-N 1 1 323.353 -1.235 20 0 DAADMO CC(=O)NCc1nc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(=O)[nH]1 ZINC000984125988 662701377 /nfs/dbraw/zinc/70/13/77/662701377.db2.gz JYXQUZDCLAXTIG-LLVKDONJSA-N 1 1 323.353 -1.235 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=S)NCC(N)=O)CC1 ZINC000727075216 662702077 /nfs/dbraw/zinc/70/20/77/662702077.db2.gz YYFIZLRGRGSDDN-UHFFFAOYSA-N 1 1 315.443 -1.074 20 0 DAADMO O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC000984187144 662702395 /nfs/dbraw/zinc/70/23/95/662702395.db2.gz VHOVMWDSAJOZOO-IWSPIJDZSA-N 1 1 306.326 -1.292 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)NC1=O ZINC001029422367 662703324 /nfs/dbraw/zinc/70/33/24/662703324.db2.gz AKURHZAEUKEZEB-USZNOCQGSA-N 1 1 321.381 -1.426 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029419821 662703367 /nfs/dbraw/zinc/70/33/67/662703367.db2.gz KDDBMKRHBBFBAX-BETUJISGSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029444912 662704087 /nfs/dbraw/zinc/70/40/87/662704087.db2.gz GTIUHIMSKKDQSC-YTWAJWBKSA-N 1 1 307.354 -1.769 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC001029449651 662704323 /nfs/dbraw/zinc/70/43/23/662704323.db2.gz AKKKUKOGPLMPPK-AOOOYVTPSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1C(=O)CNC1=O ZINC001029449651 662704327 /nfs/dbraw/zinc/70/43/27/662704327.db2.gz AKKKUKOGPLMPPK-AOOOYVTPSA-N 1 1 323.353 -1.911 20 0 DAADMO CN(C)S(=O)(=O)N1CC([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000895660549 662704378 /nfs/dbraw/zinc/70/43/78/662704378.db2.gz LSPWUUUCMUWORH-UHFFFAOYSA-N 1 1 311.429 -1.358 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001029452139 662704702 /nfs/dbraw/zinc/70/47/02/662704702.db2.gz ZZTQXDUWRZTTOG-OUAUKWLOSA-N 1 1 306.366 -1.184 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)n1 ZINC000984544348 662704814 /nfs/dbraw/zinc/70/48/14/662704814.db2.gz JCSFVPMSWYSHHG-GWOFURMSSA-N 1 1 321.385 -1.294 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC000984603763 662706253 /nfs/dbraw/zinc/70/62/53/662706253.db2.gz FVDQRBVCVDMEMC-DCAQKATOSA-N 1 1 321.385 -1.327 20 0 DAADMO CN1C(=O)N=NC1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000896198206 662706560 /nfs/dbraw/zinc/70/65/60/662706560.db2.gz KZNPQNVMRVJEDS-UHFFFAOYSA-N 1 1 311.390 -1.091 20 0 DAADMO CC(=O)NCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896240832 662706574 /nfs/dbraw/zinc/70/65/74/662706574.db2.gz XQMBOSVOOJSNAZ-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO O=C(NC[C@@H]1CCN1CCCN1C(=O)CNC1=O)c1cnn[nH]1 ZINC001038451454 662706666 /nfs/dbraw/zinc/70/66/66/662706666.db2.gz OGHVVAQOSFSPPF-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCC(=O)NC1 ZINC001038451794 662706905 /nfs/dbraw/zinc/70/69/05/662706905.db2.gz QSDRTNVKTOBQTN-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCC(=O)NC1 ZINC001038451794 662706906 /nfs/dbraw/zinc/70/69/06/662706906.db2.gz QSDRTNVKTOBQTN-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC000896548718 662707232 /nfs/dbraw/zinc/70/72/32/662707232.db2.gz NQAFNMXVZZGXGD-CHWSQXEVSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896548718 662707236 /nfs/dbraw/zinc/70/72/36/662707236.db2.gz NQAFNMXVZZGXGD-CHWSQXEVSA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896548718 662707238 /nfs/dbraw/zinc/70/72/38/662707238.db2.gz NQAFNMXVZZGXGD-CHWSQXEVSA-N 1 1 311.430 -1.489 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC000984724643 662707643 /nfs/dbraw/zinc/70/76/43/662707643.db2.gz CCYHYKKSYPKMFH-CIUDSAMLSA-N 1 1 308.346 -2.124 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001038454667 662708378 /nfs/dbraw/zinc/70/83/78/662708378.db2.gz YYPOALQQZZOSIJ-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001038454667 662708380 /nfs/dbraw/zinc/70/83/80/662708380.db2.gz YYPOALQQZZOSIJ-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001038454660 662708875 /nfs/dbraw/zinc/70/88/75/662708875.db2.gz YYPOALQQZZOSIJ-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001038454660 662708876 /nfs/dbraw/zinc/70/88/76/662708876.db2.gz YYPOALQQZZOSIJ-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029542838 662709172 /nfs/dbraw/zinc/70/91/72/662709172.db2.gz ZWZUMXBXEOZZMA-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001029552445 662709419 /nfs/dbraw/zinc/70/94/19/662709419.db2.gz UATFNRBWTFBWMJ-PHIMTYICSA-N 1 1 310.354 -1.452 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)c(=O)n1C ZINC001029569856 662709761 /nfs/dbraw/zinc/70/97/61/662709761.db2.gz IADPLMSECLUHAD-BETUJISGSA-N 1 1 323.397 -1.052 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c(=O)n1C ZINC001029569870 662709864 /nfs/dbraw/zinc/70/98/64/662709864.db2.gz IOKKPDYZQUYDAR-TXEJJXNPSA-N 1 1 309.370 -1.442 20 0 DAADMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254366 662709995 /nfs/dbraw/zinc/70/99/95/662709995.db2.gz OKVHXWRCLMRXEC-UHFFFAOYSA-N 1 1 319.373 -1.112 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001029642035 662710876 /nfs/dbraw/zinc/71/08/76/662710876.db2.gz UXPXZUSSPIEYAG-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001029642035 662710878 /nfs/dbraw/zinc/71/08/78/662710878.db2.gz UXPXZUSSPIEYAG-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001029642036 662710983 /nfs/dbraw/zinc/71/09/83/662710983.db2.gz UXPXZUSSPIEYAG-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001029642036 662710985 /nfs/dbraw/zinc/71/09/85/662710985.db2.gz UXPXZUSSPIEYAG-NSHDSACASA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985411110 662711055 /nfs/dbraw/zinc/71/10/55/662711055.db2.gz MDTLOQQDYQXGBR-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001029643285 662711094 /nfs/dbraw/zinc/71/10/94/662711094.db2.gz PVSCMXOUKJBDAP-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@@H]1CCNC1=O ZINC001029641670 662711142 /nfs/dbraw/zinc/71/11/42/662711142.db2.gz NNYGNBRMPLIVLA-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCCNC1=O ZINC001029641162 662711162 /nfs/dbraw/zinc/71/11/62/662711162.db2.gz CLMBZLSSESBLAF-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000985441411 662711355 /nfs/dbraw/zinc/71/13/55/662711355.db2.gz GPWIDVIILHNAAR-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2nccn2)C1)[C@H]1CCNC1=O ZINC001029747955 662711585 /nfs/dbraw/zinc/71/15/85/662711585.db2.gz OTGPLOBABJQNKJ-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@@H]1CCCNC1=O ZINC001029737963 662711778 /nfs/dbraw/zinc/71/17/78/662711778.db2.gz QIKGCRRJSPDPQV-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001029805537 662711856 /nfs/dbraw/zinc/71/18/56/662711856.db2.gz AHKUVRSBXGSCRA-MNOVXSKESA-N 1 1 321.385 -1.165 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001029793823 662712039 /nfs/dbraw/zinc/71/20/39/662712039.db2.gz WTZAXOBSOHORPA-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985579751 662712479 /nfs/dbraw/zinc/71/24/79/662712479.db2.gz WLCGDXGWSYJWCE-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001029823142 662712565 /nfs/dbraw/zinc/71/25/65/662712565.db2.gz QSZFYEPKCYFBAD-GHMZBOCLSA-N 1 1 317.411 -1.313 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985579752 662712636 /nfs/dbraw/zinc/71/26/36/662712636.db2.gz WLCGDXGWSYJWCE-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001029806885 662712667 /nfs/dbraw/zinc/71/26/67/662712667.db2.gz TULBMRIMEORUMB-SNVBAGLBSA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC001029806885 662712670 /nfs/dbraw/zinc/71/26/70/662712670.db2.gz TULBMRIMEORUMB-SNVBAGLBSA-N 1 1 319.373 -1.067 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000985572995 662712809 /nfs/dbraw/zinc/71/28/09/662712809.db2.gz CEKQMOLVQLDHBR-KOLCDFICSA-N 1 1 311.386 -1.193 20 0 DAADMO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)c3nnn(C)n3)CC2)C1=O ZINC000985585790 662713112 /nfs/dbraw/zinc/71/31/12/662713112.db2.gz UIUOPTDSWMLCPO-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1=O ZINC000985618298 662713129 /nfs/dbraw/zinc/71/31/29/662713129.db2.gz QRRXEAWXTCBVNP-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985617926 662713139 /nfs/dbraw/zinc/71/31/39/662713139.db2.gz ODIZCJPYDDECLQ-MNOVXSKESA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607935 662713215 /nfs/dbraw/zinc/71/32/15/662713215.db2.gz LNXHEDVBWMLHMA-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607173 662713261 /nfs/dbraw/zinc/71/32/61/662713261.db2.gz GLCCDCLMTWRRIW-LBPRGKRZSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC000985608013 662713314 /nfs/dbraw/zinc/71/33/14/662713314.db2.gz NITXBEHZGAWMTC-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC000985608013 662713316 /nfs/dbraw/zinc/71/33/16/662713316.db2.gz NITXBEHZGAWMTC-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985618761 662713403 /nfs/dbraw/zinc/71/34/03/662713403.db2.gz WOFBIKNBOQBLKH-LBPRGKRZSA-N 1 1 321.385 -1.118 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000985825558 662713999 /nfs/dbraw/zinc/71/39/99/662713999.db2.gz AUGQEJILHRAKNE-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1cc(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)c(=O)[nH]c1=O ZINC000985788217 662714127 /nfs/dbraw/zinc/71/41/27/662714127.db2.gz YXPGJZPHXMFCBC-UHFFFAOYSA-N 1 1 323.353 -1.492 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000985792290 662714326 /nfs/dbraw/zinc/71/43/26/662714326.db2.gz KUPILKJHFTYHHJ-JTQLQIEISA-N 1 1 318.399 -1.914 20 0 DAADMO CC[NH+]1CCN(C(=O)N2CCN(C(=O)CC(N)=O)CC2)CC1 ZINC000985825300 662714331 /nfs/dbraw/zinc/71/43/31/662714331.db2.gz MLZGMRYWPFXYCJ-UHFFFAOYSA-N 1 1 311.386 -1.237 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC([N@@H+](C)CCO)CC2)C1=O ZINC000985753305 662714335 /nfs/dbraw/zinc/71/43/35/662714335.db2.gz JNPDPTUQNPCEOR-UHFFFAOYSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cnnn1 ZINC000985939492 662714787 /nfs/dbraw/zinc/71/47/87/662714787.db2.gz CJNMDZRRYOHYKI-RKDXNWHRSA-N 1 1 306.334 -2.024 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C)[nH]1 ZINC000985959458 662714969 /nfs/dbraw/zinc/71/49/69/662714969.db2.gz RSNXKTOKQYJKRX-SCZZXKLOSA-N 1 1 305.346 -1.121 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1cnnn1 ZINC000985941740 662715057 /nfs/dbraw/zinc/71/50/57/662715057.db2.gz JGHSKAZMGGZAHW-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)Cn1cnnn1 ZINC000985941729 662715144 /nfs/dbraw/zinc/71/51/44/662715144.db2.gz JGHSKAZMGGZAHW-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC000985946954 662715219 /nfs/dbraw/zinc/71/52/19/662715219.db2.gz SXJOYHVHWCYJOE-MWLCHTKSSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986037508 662715381 /nfs/dbraw/zinc/71/53/81/662715381.db2.gz CIBCPYYYWRIMJO-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)CC(N)=O ZINC000986110231 662715708 /nfs/dbraw/zinc/71/57/08/662715708.db2.gz JWEGIMRPEFUGMR-UWVGGRQHSA-N 1 1 322.369 -1.237 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)CC(N)=O ZINC000986110228 662715734 /nfs/dbraw/zinc/71/57/34/662715734.db2.gz JWEGIMRPEFUGMR-NXEZZACHSA-N 1 1 322.369 -1.237 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)CC(N)=O ZINC000986112516 662715743 /nfs/dbraw/zinc/71/57/43/662715743.db2.gz OIRLEZWHROPWPQ-SCZZXKLOSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986148299 662715758 /nfs/dbraw/zinc/71/57/58/662715758.db2.gz KVVQFSXTKSDTRG-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CCOCC1 ZINC000986178278 662715828 /nfs/dbraw/zinc/71/58/28/662715828.db2.gz UAFHNDMAZSXPCN-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)CC[C@@H]3C2)C1 ZINC000986132815 662715855 /nfs/dbraw/zinc/71/58/55/662715855.db2.gz IFFNWOMKZWIFSO-WOPDTQHZSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)c1N ZINC000986180796 662715861 /nfs/dbraw/zinc/71/58/61/662715861.db2.gz QSOINVAUUWCKAN-PSASIEDQSA-N 1 1 319.373 -1.081 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986153127 662715880 /nfs/dbraw/zinc/71/58/80/662715880.db2.gz UWFNQNWTJZVMMB-DTWKUNHWSA-N 1 1 321.345 -1.714 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)c1N ZINC000986180799 662715944 /nfs/dbraw/zinc/71/59/44/662715944.db2.gz QSOINVAUUWCKAN-SCZZXKLOSA-N 1 1 319.373 -1.081 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@H]2C)C1 ZINC000986207478 662716139 /nfs/dbraw/zinc/71/61/39/662716139.db2.gz OQQZHKYLFXPOOM-BXKDBHETSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1ncn(C)n1 ZINC000986237141 662716376 /nfs/dbraw/zinc/71/63/76/662716376.db2.gz XSXYSFFUXOTAAM-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986183720 662716405 /nfs/dbraw/zinc/71/64/05/662716405.db2.gz LCRIZLRQNAKWRS-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cn(C)nn1 ZINC000986229830 662716439 /nfs/dbraw/zinc/71/64/39/662716439.db2.gz GPRHZUSGGZWLGI-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cn(C)nn1 ZINC000986229827 662716488 /nfs/dbraw/zinc/71/64/88/662716488.db2.gz GPRHZUSGGZWLGI-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986219809 662716516 /nfs/dbraw/zinc/71/65/16/662716516.db2.gz RKKHZQIVTKUZFJ-DTWKUNHWSA-N 1 1 321.341 -1.105 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CCNC1=O ZINC001029933440 662716539 /nfs/dbraw/zinc/71/65/39/662716539.db2.gz FWBAWINGFZUZHG-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC000986275210 662716724 /nfs/dbraw/zinc/71/67/24/662716724.db2.gz CSNBFZOXWXJRCA-KOLCDFICSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1ncnn1 ZINC000986279470 662716855 /nfs/dbraw/zinc/71/68/55/662716855.db2.gz KSRBLOHBICENIT-RKDXNWHRSA-N 1 1 306.334 -2.024 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986587417 662717914 /nfs/dbraw/zinc/71/79/14/662717914.db2.gz CCVMQVSMFVZYOC-WOPDTQHZSA-N 1 1 308.382 -1.270 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000986587414 662717944 /nfs/dbraw/zinc/71/79/44/662717944.db2.gz CCVMQVSMFVZYOC-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986655773 662718314 /nfs/dbraw/zinc/71/83/14/662718314.db2.gz JVRSSSPIFZFXBX-SFYZADRCSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986655771 662718508 /nfs/dbraw/zinc/71/85/08/662718508.db2.gz JVRSSSPIFZFXBX-HTQZYQBOSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986749617 662719091 /nfs/dbraw/zinc/71/90/91/662719091.db2.gz QZCHUKHIXDIMTB-BDAKNGLRSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986674053 662719243 /nfs/dbraw/zinc/71/92/43/662719243.db2.gz ZIARVTWSGXDNJH-ZYHUDNBSSA-N 1 1 322.369 -1.420 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)[C@@H]1CCNC1=O ZINC001029990530 662719304 /nfs/dbraw/zinc/71/93/04/662719304.db2.gz RORQPCQAFQLAEM-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990852 662719402 /nfs/dbraw/zinc/71/94/02/662719402.db2.gz VCZSVTXHECGKGJ-SECBINFHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990852 662719405 /nfs/dbraw/zinc/71/94/05/662719405.db2.gz VCZSVTXHECGKGJ-SECBINFHSA-N 1 1 309.374 -1.073 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCC(=O)NC1=O ZINC001029990647 662719438 /nfs/dbraw/zinc/71/94/38/662719438.db2.gz TUXZSAQIOYCHBQ-JTQLQIEISA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCn1cnnn1 ZINC000987247816 662721727 /nfs/dbraw/zinc/72/17/27/662721727.db2.gz IBEUXUGMHVSYGS-CMPLNLGQSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987248487 662721841 /nfs/dbraw/zinc/72/18/41/662721841.db2.gz KPPJHSQWNULZSX-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCn1cnnn1 ZINC000987248484 662722024 /nfs/dbraw/zinc/72/20/24/662722024.db2.gz KPPJHSQWNULZSX-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCCC1=O ZINC000987986221 662723900 /nfs/dbraw/zinc/72/39/00/662723900.db2.gz TUQOZQKESVZNKY-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1cnnn1 ZINC000988012978 662724053 /nfs/dbraw/zinc/72/40/53/662724053.db2.gz YQKAJQFBQXQULZ-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1cnnn1 ZINC000988004385 662724107 /nfs/dbraw/zinc/72/41/07/662724107.db2.gz NQJSJOGFTIAEST-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CN1C(=O)C(N)=O ZINC001013974673 662724515 /nfs/dbraw/zinc/72/45/15/662724515.db2.gz IOAGNHLCSIRPSM-RKDXNWHRSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CS(C)(=O)=O ZINC000988216247 662725121 /nfs/dbraw/zinc/72/51/21/662725121.db2.gz KDQKCFGOFJBIMS-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000988285409 662725760 /nfs/dbraw/zinc/72/57/60/662725760.db2.gz KVLIVIWLZNSHOA-GHMZBOCLSA-N 1 1 312.370 -1.891 20 0 DAADMO CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000988285409 662725763 /nfs/dbraw/zinc/72/57/63/662725763.db2.gz KVLIVIWLZNSHOA-GHMZBOCLSA-N 1 1 312.370 -1.891 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CS(C)(=O)=O ZINC000988284265 662725874 /nfs/dbraw/zinc/72/58/74/662725874.db2.gz WRXDWAIXFWPWIT-VHSXEESVSA-N 1 1 315.399 -1.061 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937656246 662726065 /nfs/dbraw/zinc/72/60/65/662726065.db2.gz LDEUXAALUPMIKY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937656724 662726108 /nfs/dbraw/zinc/72/61/08/662726108.db2.gz AVQXXRAWDYILQD-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937654843 662726527 /nfs/dbraw/zinc/72/65/27/662726527.db2.gz ZSRWUPQAFNPBMO-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654805 662726630 /nfs/dbraw/zinc/72/66/30/662726630.db2.gz YGMZONNXZIBJNB-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937654805 662726633 /nfs/dbraw/zinc/72/66/33/662726633.db2.gz YGMZONNXZIBJNB-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000937654842 662726744 /nfs/dbraw/zinc/72/67/44/662726744.db2.gz ZSRWUPQAFNPBMO-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000937679090 662727772 /nfs/dbraw/zinc/72/77/72/662727772.db2.gz NDXOMWJIMALMJK-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC000937679090 662727775 /nfs/dbraw/zinc/72/77/75/662727775.db2.gz NDXOMWJIMALMJK-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CN1CCOCC1 ZINC000988655276 662729518 /nfs/dbraw/zinc/72/95/18/662729518.db2.gz NXDAVVSRWFPEEJ-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000937757116 662730182 /nfs/dbraw/zinc/73/01/82/662730182.db2.gz YGBNVIWOKWMXQI-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CN1CN=NC1=O ZINC000988661345 662730205 /nfs/dbraw/zinc/73/02/05/662730205.db2.gz HVOKFKXSZLZPSD-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CN1CN=NC1=O ZINC000988661349 662730438 /nfs/dbraw/zinc/73/04/38/662730438.db2.gz HVOKFKXSZLZPSD-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937778048 662730693 /nfs/dbraw/zinc/73/06/93/662730693.db2.gz BSVNXIDHMKKJLE-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937778048 662730695 /nfs/dbraw/zinc/73/06/95/662730695.db2.gz BSVNXIDHMKKJLE-TUAOUCFPSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937778352 662730722 /nfs/dbraw/zinc/73/07/22/662730722.db2.gz FJOCFIDLTMQLGT-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937778352 662730724 /nfs/dbraw/zinc/73/07/24/662730724.db2.gz FJOCFIDLTMQLGT-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000937778067 662730777 /nfs/dbraw/zinc/73/07/77/662730777.db2.gz CKWWHCKTMCECAX-VHSXEESVSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000937778067 662730779 /nfs/dbraw/zinc/73/07/79/662730779.db2.gz CKWWHCKTMCECAX-VHSXEESVSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000937779117 662730839 /nfs/dbraw/zinc/73/08/39/662730839.db2.gz LLEZHEXSWKTOQM-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000937779117 662730843 /nfs/dbraw/zinc/73/08/43/662730843.db2.gz LLEZHEXSWKTOQM-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937778353 662730936 /nfs/dbraw/zinc/73/09/36/662730936.db2.gz FJOCFIDLTMQLGT-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937778353 662730938 /nfs/dbraw/zinc/73/09/38/662730938.db2.gz FJOCFIDLTMQLGT-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937779044 662730982 /nfs/dbraw/zinc/73/09/82/662730982.db2.gz KXQKJDXXIRVTSG-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937779044 662730984 /nfs/dbraw/zinc/73/09/84/662730984.db2.gz KXQKJDXXIRVTSG-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000937780561 662730989 /nfs/dbraw/zinc/73/09/89/662730989.db2.gz WAYNSMDKPJWPOB-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000937780561 662730991 /nfs/dbraw/zinc/73/09/91/662730991.db2.gz WAYNSMDKPJWPOB-STQMWFEESA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000937777782 662731091 /nfs/dbraw/zinc/73/10/91/662731091.db2.gz DTAIFQAMDJJKES-ONGXEEELSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000937777782 662731093 /nfs/dbraw/zinc/73/10/93/662731093.db2.gz DTAIFQAMDJJKES-ONGXEEELSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000937779703 662731099 /nfs/dbraw/zinc/73/10/99/662731099.db2.gz PKKBSYDJAKJVAI-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)C2)C1 ZINC000937779703 662731102 /nfs/dbraw/zinc/73/11/02/662731102.db2.gz PKKBSYDJAKJVAI-STQMWFEESA-N 1 1 321.381 -1.069 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)c1N ZINC000988671453 662731190 /nfs/dbraw/zinc/73/11/90/662731190.db2.gz GDRWVCNAONJNBZ-BDAKNGLRSA-N 1 1 319.373 -1.081 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)c1N ZINC000988671458 662731423 /nfs/dbraw/zinc/73/14/23/662731423.db2.gz GDRWVCNAONJNBZ-RKDXNWHRSA-N 1 1 319.373 -1.081 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)CN3CCOCC3)C2)C1 ZINC000937849773 662732186 /nfs/dbraw/zinc/73/21/86/662732186.db2.gz UWOKBZBDWCHQMR-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000937854793 662732377 /nfs/dbraw/zinc/73/23/77/662732377.db2.gz MRDFYOAAUMJBRL-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000937901600 662734516 /nfs/dbraw/zinc/73/45/16/662734516.db2.gz CDNPYHADIRCGPH-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000937901600 662734521 /nfs/dbraw/zinc/73/45/21/662734521.db2.gz CDNPYHADIRCGPH-JQWIXIFHSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1ccnn1 ZINC000988713384 662734968 /nfs/dbraw/zinc/73/49/68/662734968.db2.gz OYTONUNIFFBVKR-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000937975096 662736426 /nfs/dbraw/zinc/73/64/26/662736426.db2.gz KUZLUBWKKLDXPL-SDDRHHMPSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937976680 662736672 /nfs/dbraw/zinc/73/66/72/662736672.db2.gz UIKKAPPKFJIPTR-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937977807 662736738 /nfs/dbraw/zinc/73/67/38/662736738.db2.gz FSTLDEGUHMXHHU-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CN3CCOCC3)C2)C1 ZINC000937976287 662736755 /nfs/dbraw/zinc/73/67/55/662736755.db2.gz RZNZJCUTKSEUHL-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000938001923 662737642 /nfs/dbraw/zinc/73/76/42/662737642.db2.gz GIJFFLGCWTWXPP-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938001530 662737783 /nfs/dbraw/zinc/73/77/83/662737783.db2.gz WPTNLNRATSEKRO-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938014551 662738092 /nfs/dbraw/zinc/73/80/92/662738092.db2.gz LUMVRMSXVYYTLR-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000938014551 662738095 /nfs/dbraw/zinc/73/80/95/662738095.db2.gz LUMVRMSXVYYTLR-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000938050000 662738361 /nfs/dbraw/zinc/73/83/61/662738361.db2.gz PLVMSJBYDSUUNK-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000938050000 662738364 /nfs/dbraw/zinc/73/83/64/662738364.db2.gz PLVMSJBYDSUUNK-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnnn1C ZINC000988767305 662738583 /nfs/dbraw/zinc/73/85/83/662738583.db2.gz SYNPZFGENDELAG-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnnn1C ZINC000988767308 662738648 /nfs/dbraw/zinc/73/86/48/662738648.db2.gz SYNPZFGENDELAG-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1ncn(C)n1 ZINC000988783328 662738854 /nfs/dbraw/zinc/73/88/54/662738854.db2.gz IQDMOWVJRIADGY-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1ncnn1 ZINC000988825677 662739282 /nfs/dbraw/zinc/73/92/82/662739282.db2.gz DGWNFIHLELBEEE-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1ncnn1 ZINC000988840658 662739368 /nfs/dbraw/zinc/73/93/68/662739368.db2.gz XRJJCUDPROESOZ-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)Cn1ncnn1 ZINC000988836830 662739450 /nfs/dbraw/zinc/73/94/50/662739450.db2.gz FNTMPBDLBCDGDW-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)Cn1ncnn1 ZINC000988825681 662739595 /nfs/dbraw/zinc/73/95/95/662739595.db2.gz DGWNFIHLELBEEE-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1nccn1 ZINC000988883469 662740396 /nfs/dbraw/zinc/74/03/96/662740396.db2.gz CVUMDHOVYUJFQJ-NXEZZACHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)Cn1ncn(C)c1=O ZINC000989069460 662740863 /nfs/dbraw/zinc/74/08/63/662740863.db2.gz OFEJJDWZHGGFOM-UWVGGRQHSA-N 1 1 321.341 -1.256 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000989256285 662742595 /nfs/dbraw/zinc/74/25/95/662742595.db2.gz KKXDBKWTZRJGSC-QJPTWQEYSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)c1nnn(C)n1 ZINC000989307903 662743304 /nfs/dbraw/zinc/74/33/04/662743304.db2.gz MJCAFADJIMYNSO-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)c1nnn(C)n1 ZINC000989307906 662743510 /nfs/dbraw/zinc/74/35/10/662743510.db2.gz MJCAFADJIMYNSO-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000897560453 662743663 /nfs/dbraw/zinc/74/36/63/662743663.db2.gz NZBQQCVHJPMRGL-JTQLQIEISA-N 1 1 309.370 -1.519 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729594044 662743818 /nfs/dbraw/zinc/74/38/18/662743818.db2.gz IVEQBYXBKJQNKG-UWVGGRQHSA-N 1 1 306.388 -1.563 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729594045 662743941 /nfs/dbraw/zinc/74/39/41/662743941.db2.gz IVEQBYXBKJQNKG-VHSXEESVSA-N 1 1 306.388 -1.563 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000729620848 662744037 /nfs/dbraw/zinc/74/40/37/662744037.db2.gz VZLNPTQUBUCFRI-WOPDTQHZSA-N 1 1 312.370 -1.255 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCNC1=O ZINC000897604993 662744440 /nfs/dbraw/zinc/74/44/40/662744440.db2.gz DMHMGLRGVQOVLX-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCNC1=O ZINC000897632876 662745080 /nfs/dbraw/zinc/74/50/80/662745080.db2.gz VWYCIFYMNGYESZ-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1CCC[N@H+](CCO)CC1 ZINC000989430919 662745376 /nfs/dbraw/zinc/74/53/76/662745376.db2.gz NKQOPRQQYXRNOR-UHFFFAOYSA-N 1 1 323.397 -1.092 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1CCNC1=O ZINC000897894416 662745769 /nfs/dbraw/zinc/74/57/69/662745769.db2.gz PJWQXNJIPNGGQU-UHFFFAOYSA-N 1 1 313.402 -1.024 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000989451046 662746555 /nfs/dbraw/zinc/74/65/55/662746555.db2.gz ABQUYQLOCOHBND-UHFFFAOYSA-N 1 1 321.385 -1.093 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000989472921 662747229 /nfs/dbraw/zinc/74/72/29/662747229.db2.gz QDPFFDAOFPQUTD-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)C2(n3cnnn3)CC2)C1 ZINC000898250299 662747581 /nfs/dbraw/zinc/74/75/81/662747581.db2.gz NQVRIBXPDHQBOY-UHFFFAOYSA-N 1 1 324.385 -1.032 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC000989596868 662748870 /nfs/dbraw/zinc/74/88/70/662748870.db2.gz LWLGRBWXMFLERQ-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC000989596868 662748872 /nfs/dbraw/zinc/74/88/72/662748872.db2.gz LWLGRBWXMFLERQ-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCn1cnnn1 ZINC000989602175 662749408 /nfs/dbraw/zinc/74/94/08/662749408.db2.gz SDMFRERSLMGTSD-MNOVXSKESA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CN1C(=O)CCn1cnnn1 ZINC000989600029 662749434 /nfs/dbraw/zinc/74/94/34/662749434.db2.gz DQXUUENNSCVJRH-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cnnn1 ZINC000989602926 662749620 /nfs/dbraw/zinc/74/96/20/662749620.db2.gz ZSHPYGNFZVYUQU-ZJUUUORDSA-N 1 1 320.361 -1.634 20 0 DAADMO O=C(Cn1cncn1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989619763 662749814 /nfs/dbraw/zinc/74/98/14/662749814.db2.gz PNGSKIFCQVEPTO-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(Cn1cncn1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000989619763 662749815 /nfs/dbraw/zinc/74/98/15/662749815.db2.gz PNGSKIFCQVEPTO-LLVKDONJSA-N 1 1 320.353 -1.382 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cc1nnc[nH]1 ZINC000989656952 662749945 /nfs/dbraw/zinc/74/99/45/662749945.db2.gz JOXCSNSMPWRMJO-BDAKNGLRSA-N 1 1 305.346 -1.350 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCC[N@H+](CCCO)CC1 ZINC000989689761 662751005 /nfs/dbraw/zinc/75/10/05/662751005.db2.gz RYOUFWTWINBGRK-LLVKDONJSA-N 1 1 305.400 -1.405 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815469 662751447 /nfs/dbraw/zinc/75/14/47/662751447.db2.gz FJHDQTQNJAONTA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815469 662751450 /nfs/dbraw/zinc/75/14/50/662751450.db2.gz FJHDQTQNJAONTA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815466 662751588 /nfs/dbraw/zinc/75/15/88/662751588.db2.gz FJHDQTQNJAONTA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815466 662751589 /nfs/dbraw/zinc/75/15/89/662751589.db2.gz FJHDQTQNJAONTA-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cncn1 ZINC000989753314 662751677 /nfs/dbraw/zinc/75/16/77/662751677.db2.gz VBVHJJCXJHVUJP-VHSXEESVSA-N 1 1 305.346 -1.419 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815468 662751693 /nfs/dbraw/zinc/75/16/93/662751693.db2.gz FJHDQTQNJAONTA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815468 662751694 /nfs/dbraw/zinc/75/16/94/662751694.db2.gz FJHDQTQNJAONTA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989939851 662751861 /nfs/dbraw/zinc/75/18/61/662751861.db2.gz NFTJRQNKWSDQNX-GWCFXTLKSA-N 1 1 307.358 -1.468 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000990120391 662753084 /nfs/dbraw/zinc/75/30/84/662753084.db2.gz GWADUMJGAGELID-ZOWXZIJZSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000990120391 662753089 /nfs/dbraw/zinc/75/30/89/662753089.db2.gz GWADUMJGAGELID-ZOWXZIJZSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnccn3)C2)C1 ZINC000990098353 662753136 /nfs/dbraw/zinc/75/31/36/662753136.db2.gz IRSGJCPTRKQALA-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnccn3)C2)C1 ZINC000990098353 662753141 /nfs/dbraw/zinc/75/31/41/662753141.db2.gz IRSGJCPTRKQALA-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3=COCCO3)C2)C1 ZINC000990125339 662753146 /nfs/dbraw/zinc/75/31/46/662753146.db2.gz OSOSPKROCXNWDZ-LLVKDONJSA-N 1 1 311.338 -1.468 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3=COCCO3)C2)C1 ZINC000990125339 662753148 /nfs/dbraw/zinc/75/31/48/662753148.db2.gz OSOSPKROCXNWDZ-LLVKDONJSA-N 1 1 311.338 -1.468 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014507626 662753537 /nfs/dbraw/zinc/75/35/37/662753537.db2.gz KFIIPLVIOYDNAT-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990147255 662754400 /nfs/dbraw/zinc/75/44/00/662754400.db2.gz LTCXTKQWQFSKLI-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990147255 662754401 /nfs/dbraw/zinc/75/44/01/662754401.db2.gz LTCXTKQWQFSKLI-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190089 662756112 /nfs/dbraw/zinc/75/61/12/662756112.db2.gz WBVPFDKYNFYESN-UHFFFAOYSA-N 1 1 304.314 -1.795 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990190649 662756140 /nfs/dbraw/zinc/75/61/40/662756140.db2.gz KMYYBIBFUZBHFL-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990198936 662756816 /nfs/dbraw/zinc/75/68/16/662756816.db2.gz YBVKNFYCIRJUQR-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990198936 662756818 /nfs/dbraw/zinc/75/68/18/662756818.db2.gz YBVKNFYCIRJUQR-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO O=C(Cn1cccn1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000990234551 662757073 /nfs/dbraw/zinc/75/70/73/662757073.db2.gz VNVHRYPSMWRVJX-UHFFFAOYSA-N 1 1 321.381 -1.068 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990233662 662757290 /nfs/dbraw/zinc/75/72/90/662757290.db2.gz IKXZCELGWCZMPB-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990233662 662757292 /nfs/dbraw/zinc/75/72/92/662757292.db2.gz IKXZCELGWCZMPB-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3CCOCC3)CCC[C@@H]12 ZINC000990275081 662758316 /nfs/dbraw/zinc/75/83/16/662758316.db2.gz DNHWEQMDROFKCG-DOMZBBRYSA-N 1 1 310.398 -1.083 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CCOCC3)CCC[C@@H]12 ZINC000990275081 662758318 /nfs/dbraw/zinc/75/83/18/662758318.db2.gz DNHWEQMDROFKCG-DOMZBBRYSA-N 1 1 310.398 -1.083 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)C1 ZINC000990277246 662758674 /nfs/dbraw/zinc/75/86/74/662758674.db2.gz VOJQUQZFMKSMQG-RYUDHWBXSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3COCCO3)C2)C1 ZINC000990277246 662758676 /nfs/dbraw/zinc/75/86/76/662758676.db2.gz VOJQUQZFMKSMQG-RYUDHWBXSA-N 1 1 313.354 -1.941 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990327691 662759454 /nfs/dbraw/zinc/75/94/54/662759454.db2.gz KWQKFJVKYJKOQV-TVQRCGJNSA-N 1 1 308.342 -1.418 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990327691 662759456 /nfs/dbraw/zinc/75/94/56/662759456.db2.gz KWQKFJVKYJKOQV-TVQRCGJNSA-N 1 1 308.342 -1.418 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1C ZINC000990383230 662760579 /nfs/dbraw/zinc/76/05/79/662760579.db2.gz RPJLGTPXEKJYGW-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC000990383230 662760581 /nfs/dbraw/zinc/76/05/81/662760581.db2.gz RPJLGTPXEKJYGW-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990486259 662762800 /nfs/dbraw/zinc/76/28/00/662762800.db2.gz MXVCQLNAXHFJMY-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990486259 662762802 /nfs/dbraw/zinc/76/28/02/662762802.db2.gz MXVCQLNAXHFJMY-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990499352 662763728 /nfs/dbraw/zinc/76/37/28/662763728.db2.gz YGXSSOQUMPLYNG-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990499352 662763730 /nfs/dbraw/zinc/76/37/30/662763730.db2.gz YGXSSOQUMPLYNG-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1=O ZINC000990507617 662763733 /nfs/dbraw/zinc/76/37/33/662763733.db2.gz HCRYVQJPFCGGDB-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000990511195 662763844 /nfs/dbraw/zinc/76/38/44/662763844.db2.gz RCRKFHBBEAQTCC-VHSXEESVSA-N 1 1 323.353 -1.994 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000990513715 662763995 /nfs/dbraw/zinc/76/39/95/662763995.db2.gz HZDMYXFIKSALHR-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000990520023 662764035 /nfs/dbraw/zinc/76/40/35/662764035.db2.gz VOWDEFZDJFIILL-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000990509677 662764131 /nfs/dbraw/zinc/76/41/31/662764131.db2.gz ZVORZXXPKLDDHK-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000990513711 662764362 /nfs/dbraw/zinc/76/43/62/662764362.db2.gz HZDMYXFIKSALHR-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000990516048 662764367 /nfs/dbraw/zinc/76/43/67/662764367.db2.gz MNMBJXLMOHBBHI-NSHDSACASA-N 1 1 315.395 -1.548 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000990512648 662764416 /nfs/dbraw/zinc/76/44/16/662764416.db2.gz AGSGWKRDGBSLOS-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)ncc1=O ZINC000990516414 662764452 /nfs/dbraw/zinc/76/44/52/662764452.db2.gz JKAWMBSZSKJHIK-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000990521810 662764528 /nfs/dbraw/zinc/76/45/28/662764528.db2.gz GQHWHRMJVLHUMC-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000990513008 662764598 /nfs/dbraw/zinc/76/45/98/662764598.db2.gz DMKTXBJXFKVZJK-NSHDSACASA-N 1 1 322.365 -1.443 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001014574077 662764852 /nfs/dbraw/zinc/76/48/52/662764852.db2.gz PJZGVZSWOCPSRU-SNVBAGLBSA-N 1 1 321.341 -1.980 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000990524157 662764859 /nfs/dbraw/zinc/76/48/59/662764859.db2.gz OKKILRBVLUIVFJ-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CS(=O)(=O)NC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC000801465156 662764892 /nfs/dbraw/zinc/76/48/92/662764892.db2.gz GKXHDJVHAPWTDN-UHFFFAOYSA-N 1 1 305.400 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000990524160 662765012 /nfs/dbraw/zinc/76/50/12/662765012.db2.gz OKKILRBVLUIVFJ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)c3nccnc3N)C2)C1 ZINC000990546616 662765441 /nfs/dbraw/zinc/76/54/41/662765441.db2.gz LBPTZTXPYVXPJO-SECBINFHSA-N 1 1 304.354 -1.049 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nnn1C ZINC000990596939 662766125 /nfs/dbraw/zinc/76/61/25/662766125.db2.gz LSHYYCGGTFRFEE-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nnn1C ZINC000990596939 662766127 /nfs/dbraw/zinc/76/61/27/662766127.db2.gz LSHYYCGGTFRFEE-NSHDSACASA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990585007 662766204 /nfs/dbraw/zinc/76/62/04/662766204.db2.gz XOAHBXSPOTYMMB-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990585007 662766208 /nfs/dbraw/zinc/76/62/08/662766208.db2.gz XOAHBXSPOTYMMB-LBPRGKRZSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000990615188 662766515 /nfs/dbraw/zinc/76/65/15/662766515.db2.gz ARSDTRGGHMZWIF-ZYHUDNBSSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000990615188 662766519 /nfs/dbraw/zinc/76/65/19/662766519.db2.gz ARSDTRGGHMZWIF-ZYHUDNBSSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000990615187 662766819 /nfs/dbraw/zinc/76/68/19/662766819.db2.gz ARSDTRGGHMZWIF-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC000990615187 662766822 /nfs/dbraw/zinc/76/68/22/662766822.db2.gz ARSDTRGGHMZWIF-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3=CCOCC3)C2)C1 ZINC000990615581 662766998 /nfs/dbraw/zinc/76/69/98/662766998.db2.gz CZRNKGMUMNQYMR-CYBMUJFWSA-N 1 1 309.366 -1.009 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3=CCOCC3)C2)C1 ZINC000990615581 662767000 /nfs/dbraw/zinc/76/70/00/662767000.db2.gz CZRNKGMUMNQYMR-CYBMUJFWSA-N 1 1 309.366 -1.009 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990617104 662767110 /nfs/dbraw/zinc/76/71/10/662767110.db2.gz LHGUCSZTCLGVQR-OCCSQVGLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990617103 662767152 /nfs/dbraw/zinc/76/71/52/662767152.db2.gz LHGUCSZTCLGVQR-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]n1 ZINC000990615499 662767516 /nfs/dbraw/zinc/76/75/16/662767516.db2.gz CFKAIHMDEQOZGE-CYBMUJFWSA-N 1 1 321.381 -1.082 20 0 DAADMO Cc1cc(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]n1 ZINC000990615499 662767518 /nfs/dbraw/zinc/76/75/18/662767518.db2.gz CFKAIHMDEQOZGE-CYBMUJFWSA-N 1 1 321.381 -1.082 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990616061 662767524 /nfs/dbraw/zinc/76/75/24/662767524.db2.gz HGKHMKGNTXVSEY-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990616061 662767527 /nfs/dbraw/zinc/76/75/27/662767527.db2.gz HGKHMKGNTXVSEY-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000990616234 662767605 /nfs/dbraw/zinc/76/76/05/662767605.db2.gz GXCXBMTWJKUYLJ-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000990616234 662767606 /nfs/dbraw/zinc/76/76/06/662767606.db2.gz GXCXBMTWJKUYLJ-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000990618782 662767615 /nfs/dbraw/zinc/76/76/15/662767615.db2.gz TZJPPJBZSYIQCE-SNVBAGLBSA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000990618782 662767617 /nfs/dbraw/zinc/76/76/17/662767617.db2.gz TZJPPJBZSYIQCE-SNVBAGLBSA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000990615281 662767646 /nfs/dbraw/zinc/76/76/46/662767646.db2.gz BLZCKACWSXRUNA-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000990615281 662767654 /nfs/dbraw/zinc/76/76/54/662767654.db2.gz BLZCKACWSXRUNA-GFCCVEGCSA-N 1 1 307.354 -1.390 20 0 DAADMO Cn1cc(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990615663 662767754 /nfs/dbraw/zinc/76/77/54/662767754.db2.gz DXLPCJWEWBEFFX-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cc(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990615663 662767756 /nfs/dbraw/zinc/76/77/56/662767756.db2.gz DXLPCJWEWBEFFX-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000990617134 662767785 /nfs/dbraw/zinc/76/77/85/662767785.db2.gz MDMHXLPPZKLQMM-JTQLQIEISA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000990617134 662767787 /nfs/dbraw/zinc/76/77/87/662767787.db2.gz MDMHXLPPZKLQMM-JTQLQIEISA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnns3)C2)C1 ZINC000990617694 662767820 /nfs/dbraw/zinc/76/78/20/662767820.db2.gz OXKAOZASQMUVLD-VIFPVBQESA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnns3)C2)C1 ZINC000990617694 662767823 /nfs/dbraw/zinc/76/78/23/662767823.db2.gz OXKAOZASQMUVLD-VIFPVBQESA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000990619178 662768267 /nfs/dbraw/zinc/76/82/67/662768267.db2.gz VBNLMZPACOGEGF-JTQLQIEISA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nccnc3N)C2)C1 ZINC000990619178 662768268 /nfs/dbraw/zinc/76/82/68/662768268.db2.gz VBNLMZPACOGEGF-JTQLQIEISA-N 1 1 320.353 -1.670 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000990618050 662768273 /nfs/dbraw/zinc/76/82/73/662768273.db2.gz QPDBZVAVMNGADL-UWVGGRQHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000990618050 662768274 /nfs/dbraw/zinc/76/82/74/662768274.db2.gz QPDBZVAVMNGADL-UWVGGRQHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000990619921 662768448 /nfs/dbraw/zinc/76/84/48/662768448.db2.gz YNNAPMINPHDQIW-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000990619921 662768450 /nfs/dbraw/zinc/76/84/50/662768450.db2.gz YNNAPMINPHDQIW-SNVBAGLBSA-N 1 1 309.330 -2.669 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990622963 662768486 /nfs/dbraw/zinc/76/84/86/662768486.db2.gz LAJMWDSSFPHPNE-VIFPVBQESA-N 1 1 309.330 -2.519 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990622963 662768488 /nfs/dbraw/zinc/76/84/88/662768488.db2.gz LAJMWDSSFPHPNE-VIFPVBQESA-N 1 1 309.330 -2.519 20 0 DAADMO Cc1nonc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990622533 662768492 /nfs/dbraw/zinc/76/84/92/662768492.db2.gz IWORMZSIIVDBHR-SNVBAGLBSA-N 1 1 309.326 -1.351 20 0 DAADMO Cc1nonc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990622533 662768493 /nfs/dbraw/zinc/76/84/93/662768493.db2.gz IWORMZSIIVDBHR-SNVBAGLBSA-N 1 1 309.326 -1.351 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnccn3)C2)C1 ZINC000990618073 662768522 /nfs/dbraw/zinc/76/85/22/662768522.db2.gz QWBWQSKMZXXDDL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cnccn3)C2)C1 ZINC000990618073 662768524 /nfs/dbraw/zinc/76/85/24/662768524.db2.gz QWBWQSKMZXXDDL-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000990620383 662768601 /nfs/dbraw/zinc/76/86/01/662768601.db2.gz ASPAQJBRMUYXPX-JQWIXIFHSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000990620383 662768602 /nfs/dbraw/zinc/76/86/02/662768602.db2.gz ASPAQJBRMUYXPX-JQWIXIFHSA-N 1 1 324.381 -1.878 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990619199 662768644 /nfs/dbraw/zinc/76/86/44/662768644.db2.gz VFATZBASQCXHEB-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990619199 662768646 /nfs/dbraw/zinc/76/86/46/662768646.db2.gz VFATZBASQCXHEB-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000990620384 662768650 /nfs/dbraw/zinc/76/86/50/662768650.db2.gz ASPAQJBRMUYXPX-PWSUYJOCSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000990620384 662768652 /nfs/dbraw/zinc/76/86/52/662768652.db2.gz ASPAQJBRMUYXPX-PWSUYJOCSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000990630523 662768877 /nfs/dbraw/zinc/76/88/77/662768877.db2.gz NYVUYTBNZXENNG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000990630523 662768879 /nfs/dbraw/zinc/76/88/79/662768879.db2.gz NYVUYTBNZXENNG-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000990629888 662768888 /nfs/dbraw/zinc/76/88/88/662768888.db2.gz KRHLOCOCFGIOEW-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000990629888 662768889 /nfs/dbraw/zinc/76/88/89/662768889.db2.gz KRHLOCOCFGIOEW-XHDPSFHLSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000990625352 662768954 /nfs/dbraw/zinc/76/89/54/662768954.db2.gz SDPNYBTVRIBYCL-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000990625352 662768957 /nfs/dbraw/zinc/76/89/57/662768957.db2.gz SDPNYBTVRIBYCL-VXGBXAGGSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000990628816 662769014 /nfs/dbraw/zinc/76/90/14/662769014.db2.gz HALGSIXBHINGSS-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]c(=O)c3)C2)C1 ZINC000990628816 662769016 /nfs/dbraw/zinc/76/90/16/662769016.db2.gz HALGSIXBHINGSS-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3CN(C)CCO3)C2)CC[N@H+]1C ZINC000990624439 662769062 /nfs/dbraw/zinc/76/90/62/662769062.db2.gz WTGGCEGGYAEPOY-MRVWCRGKSA-N 1 1 324.425 -1.016 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000990634416 662769195 /nfs/dbraw/zinc/76/91/95/662769195.db2.gz YEFFRQZNCXABRL-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000990634416 662769198 /nfs/dbraw/zinc/76/91/98/662769198.db2.gz YEFFRQZNCXABRL-NSHDSACASA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000990632232 662769234 /nfs/dbraw/zinc/76/92/34/662769234.db2.gz RZKQQFMZDFJWFY-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000990632232 662769236 /nfs/dbraw/zinc/76/92/36/662769236.db2.gz RZKQQFMZDFJWFY-NEPJUHHUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000990634478 662769241 /nfs/dbraw/zinc/76/92/41/662769241.db2.gz YUMAPHUSJZYLBX-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000990634478 662769243 /nfs/dbraw/zinc/76/92/43/662769243.db2.gz YUMAPHUSJZYLBX-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000990628967 662769270 /nfs/dbraw/zinc/76/92/70/662769270.db2.gz HLVJTUCRCRNVQT-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC000990632751 662769311 /nfs/dbraw/zinc/76/93/11/662769311.db2.gz TZICSQBZIXHRFY-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCc3cn[nH]c3)C2)C1 ZINC000990632751 662769315 /nfs/dbraw/zinc/76/93/15/662769315.db2.gz TZICSQBZIXHRFY-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)CC[N@H+]1C ZINC000990624436 662769324 /nfs/dbraw/zinc/76/93/24/662769324.db2.gz WTGGCEGGYAEPOY-BNOWGMLFSA-N 1 1 324.425 -1.016 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000990630522 662769354 /nfs/dbraw/zinc/76/93/54/662769354.db2.gz NYVUYTBNZXENNG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000990630522 662769357 /nfs/dbraw/zinc/76/93/57/662769357.db2.gz NYVUYTBNZXENNG-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990634484 662769547 /nfs/dbraw/zinc/76/95/47/662769547.db2.gz YUNCRIVWMWTQJU-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990634484 662769550 /nfs/dbraw/zinc/76/95/50/662769550.db2.gz YUNCRIVWMWTQJU-NSHDSACASA-N 1 1 307.354 -1.011 20 0 DAADMO COCCn1nc(C(=O)NC[C@@H]2CC[N@@H+]2CCO)ccc1=O ZINC001038486486 662769935 /nfs/dbraw/zinc/76/99/35/662769935.db2.gz VELWAFMUGHBSJQ-NSHDSACASA-N 1 1 310.354 -1.314 20 0 DAADMO COCCn1nc(C(=O)NC[C@@H]2CC[N@H+]2CCO)ccc1=O ZINC001038486486 662769937 /nfs/dbraw/zinc/76/99/37/662769937.db2.gz VELWAFMUGHBSJQ-NSHDSACASA-N 1 1 310.354 -1.314 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1=O ZINC001014616864 662770048 /nfs/dbraw/zinc/77/00/48/662770048.db2.gz MSXKTYWJWJXNGN-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614074 662770057 /nfs/dbraw/zinc/77/00/57/662770057.db2.gz DIUXZDXBCPLJCT-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614074 662770060 /nfs/dbraw/zinc/77/00/60/662770060.db2.gz DIUXZDXBCPLJCT-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1cncc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990634830 662770126 /nfs/dbraw/zinc/77/01/26/662770126.db2.gz ZRUOJHUOAQEELU-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cncc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990634830 662770129 /nfs/dbraw/zinc/77/01/29/662770129.db2.gz ZRUOJHUOAQEELU-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)O1 ZINC000938182371 662770512 /nfs/dbraw/zinc/77/05/12/662770512.db2.gz HKBNXYVCBXYUDR-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)O1 ZINC000938182371 662770513 /nfs/dbraw/zinc/77/05/13/662770513.db2.gz HKBNXYVCBXYUDR-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900192845 662776610 /nfs/dbraw/zinc/77/66/10/662776610.db2.gz YFOZNHIIGNSZEX-UHFFFAOYSA-N 1 1 307.416 -1.038 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCCc1nnnn1C ZINC000898601525 662770656 /nfs/dbraw/zinc/77/06/56/662770656.db2.gz UAJRZWKUYCXLNQ-LLVKDONJSA-N 1 1 311.390 -1.149 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCCc1nnnn1C ZINC000898601525 662770657 /nfs/dbraw/zinc/77/06/57/662770657.db2.gz UAJRZWKUYCXLNQ-LLVKDONJSA-N 1 1 311.390 -1.149 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001038118759 662770665 /nfs/dbraw/zinc/77/06/65/662770665.db2.gz FREHWVHZYQZFEC-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001038118759 662770666 /nfs/dbraw/zinc/77/06/66/662770666.db2.gz FREHWVHZYQZFEC-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO CCN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000898693542 662770844 /nfs/dbraw/zinc/77/08/44/662770844.db2.gz TVZLSEWGZWCFRI-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990717589 662770951 /nfs/dbraw/zinc/77/09/51/662770951.db2.gz ZWNFOKITPFLCJH-GIPNMCIBSA-N 1 1 307.358 -1.340 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCN2CCNC2=O)CC1 ZINC000898694993 662771150 /nfs/dbraw/zinc/77/11/50/662771150.db2.gz RDLXXYNFBHTHLQ-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCN1CCNC1=O ZINC000898693693 662771350 /nfs/dbraw/zinc/77/13/50/662771350.db2.gz ZEUIKJKFFKFOFY-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC000990764622 662771962 /nfs/dbraw/zinc/77/19/62/662771962.db2.gz HCODSZMRZPNLII-FRRDWIJNSA-N 1 1 322.369 -1.503 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC000990764622 662771964 /nfs/dbraw/zinc/77/19/64/662771964.db2.gz HCODSZMRZPNLII-FRRDWIJNSA-N 1 1 322.369 -1.503 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC000899139185 662771971 /nfs/dbraw/zinc/77/19/71/662771971.db2.gz BCRJIDTUKPSORV-JTQLQIEISA-N 1 1 314.411 -1.502 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)n1 ZINC000990765786 662772277 /nfs/dbraw/zinc/77/22/77/662772277.db2.gz TVKQLSABQYQURN-YGRLFVJLSA-N 1 1 322.369 -1.518 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000990795890 662773197 /nfs/dbraw/zinc/77/31/97/662773197.db2.gz IAMBVVHAXYBIAJ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1CCN(CC(=O)NCC[N@@H+](C)CCO)C(=O)C1=O ZINC000899732548 662774908 /nfs/dbraw/zinc/77/49/08/662774908.db2.gz ZZLUWTANRTUJQL-UHFFFAOYSA-N 1 1 300.359 -2.283 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CCN1C(=O)CCNC1=S ZINC000899738636 662775020 /nfs/dbraw/zinc/77/50/20/662775020.db2.gz JOTHIRLHFOIHHU-UHFFFAOYSA-N 1 1 302.400 -1.476 20 0 DAADMO COC(=O)Cn1cc(CN(C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000899886358 662775201 /nfs/dbraw/zinc/77/52/01/662775201.db2.gz PQUFIDOPFJJXJM-UHFFFAOYSA-N 1 1 324.385 -1.343 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC(=O)C3)C2)C1 ZINC000990811551 662775299 /nfs/dbraw/zinc/77/52/99/662775299.db2.gz NVRZYCQUVBQFON-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643128 662775370 /nfs/dbraw/zinc/77/53/70/662775370.db2.gz KYPQIQPYOVYEAR-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643128 662775371 /nfs/dbraw/zinc/77/53/71/662775371.db2.gz KYPQIQPYOVYEAR-UWVGGRQHSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000900032731 662776291 /nfs/dbraw/zinc/77/62/91/662776291.db2.gz MGTIMQGIFHXNOK-ZDUSSCGKSA-N 1 1 319.427 -1.063 20 0 DAADMO CC(C)[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000900061260 662776374 /nfs/dbraw/zinc/77/63/74/662776374.db2.gz RYTVFNRYTAOEOO-CYBMUJFWSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900202469 662776593 /nfs/dbraw/zinc/77/65/93/662776593.db2.gz KNFNFEPNAJPSLI-DZGCQCFKSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)S(C)(=O)=O ZINC000900191942 662776680 /nfs/dbraw/zinc/77/66/80/662776680.db2.gz KHNJDPWHNYECKN-ZYHUDNBSSA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CCCS1(=O)=O ZINC000900436572 662777031 /nfs/dbraw/zinc/77/70/31/662777031.db2.gz LMJJLUMOYXCZPN-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000900442263 662777709 /nfs/dbraw/zinc/77/77/09/662777709.db2.gz OYWZWSYIVQLHQW-RYUDHWBXSA-N 1 1 317.411 -1.143 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000900612604 662777829 /nfs/dbraw/zinc/77/78/29/662777829.db2.gz LRRHDYVUTVNGOZ-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3cncn3)CC2)CC1 ZINC000900611593 662777893 /nfs/dbraw/zinc/77/78/93/662777893.db2.gz DCKSFSIOALDFII-UHFFFAOYSA-N 1 1 321.385 -1.210 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000900612605 662778420 /nfs/dbraw/zinc/77/84/20/662778420.db2.gz LRRHDYVUTVNGOZ-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675327 662778691 /nfs/dbraw/zinc/77/86/91/662778691.db2.gz QUNSWAHGISICAB-ZDUSSCGKSA-N 1 1 323.441 -1.297 20 0 DAADMO C[NH+]1CCC(N2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)CC1 ZINC000900675327 662778693 /nfs/dbraw/zinc/77/86/93/662778693.db2.gz QUNSWAHGISICAB-ZDUSSCGKSA-N 1 1 323.441 -1.297 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H](O)C(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000900965618 662780270 /nfs/dbraw/zinc/78/02/70/662780270.db2.gz CMRUFLBTIVXOHS-QWRGUYRKSA-N 1 1 322.427 -1.305 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000900742770 662778989 /nfs/dbraw/zinc/77/89/89/662778989.db2.gz VBMXGKDWZAKNDZ-AAEUAGOBSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1=O ZINC000900701061 662779251 /nfs/dbraw/zinc/77/92/51/662779251.db2.gz VIHFSPREQWOONU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC[N@@H+]2CCCN(C)CC2)C1=O ZINC000900701061 662779253 /nfs/dbraw/zinc/77/92/53/662779253.db2.gz VIHFSPREQWOONU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC[N@H+]2CCCN(C)CC2)C1=O ZINC000900701061 662779254 /nfs/dbraw/zinc/77/92/54/662779254.db2.gz VIHFSPREQWOONU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)CN1CC[NH+](C)CC1 ZINC000900692143 662779392 /nfs/dbraw/zinc/77/93/92/662779392.db2.gz DTHMGUOPYLQDSH-CYBMUJFWSA-N 1 1 311.430 -1.582 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000900742771 662779406 /nfs/dbraw/zinc/77/94/06/662779406.db2.gz VBMXGKDWZAKNDZ-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC000900724702 662779453 /nfs/dbraw/zinc/77/94/53/662779453.db2.gz BCWVRYBSNVISGC-AWEZNQCLSA-N 1 1 323.441 -1.343 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000900953213 662779814 /nfs/dbraw/zinc/77/98/14/662779814.db2.gz DPQDUNAWVVYFFU-YGRLFVJLSA-N 1 1 310.354 -1.404 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900966535 662780140 /nfs/dbraw/zinc/78/01/40/662780140.db2.gz HVUCYWVYYZYSOH-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900966535 662780143 /nfs/dbraw/zinc/78/01/43/662780143.db2.gz HVUCYWVYYZYSOH-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900966781 662780250 /nfs/dbraw/zinc/78/02/50/662780250.db2.gz HVUCYWVYYZYSOH-GVXVVHGQSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900966781 662780253 /nfs/dbraw/zinc/78/02/53/662780253.db2.gz HVUCYWVYYZYSOH-GVXVVHGQSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900984900 662780404 /nfs/dbraw/zinc/78/04/04/662780404.db2.gz QHDPWLMWKJVTSB-YDHLFZDLSA-N 1 1 315.414 -1.407 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000901105624 662780840 /nfs/dbraw/zinc/78/08/40/662780840.db2.gz HZNDKZNEQHTNAL-VXGBXAGGSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000901139650 662780939 /nfs/dbraw/zinc/78/09/39/662780939.db2.gz SQQYDRVMJHYJOG-ONGXEEELSA-N 1 1 305.400 -1.287 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901139650 662780942 /nfs/dbraw/zinc/78/09/42/662780942.db2.gz SQQYDRVMJHYJOG-ONGXEEELSA-N 1 1 305.400 -1.287 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000901192009 662780977 /nfs/dbraw/zinc/78/09/77/662780977.db2.gz CZACGDUAXCVGEA-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000901105668 662780987 /nfs/dbraw/zinc/78/09/87/662780987.db2.gz JJCUWQUJRZDFCC-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000901140122 662781130 /nfs/dbraw/zinc/78/11/30/662781130.db2.gz RVDYMTXDTQWTPW-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000901140119 662781247 /nfs/dbraw/zinc/78/12/47/662781247.db2.gz RVDYMTXDTQWTPW-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000901340469 662781442 /nfs/dbraw/zinc/78/14/42/662781442.db2.gz YNDWGKRGGRCDLL-LOWVWBTDSA-N 1 1 319.427 -1.066 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901270694 662781590 /nfs/dbraw/zinc/78/15/90/662781590.db2.gz OUKXJKMMSDZPHT-DOMZBBRYSA-N 1 1 313.398 -1.115 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC000938211738 662781612 /nfs/dbraw/zinc/78/16/12/662781612.db2.gz RAZBIGQPUCQMBF-QMMMGPOBSA-N 1 1 309.326 -1.448 20 0 DAADMO C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000901340468 662781650 /nfs/dbraw/zinc/78/16/50/662781650.db2.gz YNDWGKRGGRCDLL-GVXVVHGQSA-N 1 1 319.427 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990902710 662782239 /nfs/dbraw/zinc/78/22/39/662782239.db2.gz HNXODRFPELOSIB-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CN3CCOCC3)C2)C1 ZINC000990907081 662783044 /nfs/dbraw/zinc/78/30/44/662783044.db2.gz WTRXXPIOFXVURM-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)n1cncn1 ZINC000990915535 662784200 /nfs/dbraw/zinc/78/42/00/662784200.db2.gz QAYXUSOZRHANNZ-PWSUYJOCSA-N 1 1 322.369 -1.503 20 0 DAADMO C[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)n1cncn1 ZINC000990915535 662784204 /nfs/dbraw/zinc/78/42/04/662784204.db2.gz QAYXUSOZRHANNZ-PWSUYJOCSA-N 1 1 322.369 -1.503 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000990927022 662785103 /nfs/dbraw/zinc/78/51/03/662785103.db2.gz WKBKOOTWQSWHSU-DGCLKSJQSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000990927017 662785123 /nfs/dbraw/zinc/78/51/23/662785123.db2.gz WKBKOOTWQSWHSU-AAEUAGOBSA-N 1 1 310.398 -1.404 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990942451 662785482 /nfs/dbraw/zinc/78/54/82/662785482.db2.gz KOMLVHPLSMLYJO-UHFFFAOYSA-N 1 1 319.325 -1.484 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940589 662785830 /nfs/dbraw/zinc/78/58/30/662785830.db2.gz ZSZXDMZUIAAIKH-SNVBAGLBSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940375 662785867 /nfs/dbraw/zinc/78/58/67/662785867.db2.gz YSVDCFLIIPVDLF-SNVBAGLBSA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940375 662785869 /nfs/dbraw/zinc/78/58/69/662785869.db2.gz YSVDCFLIIPVDLF-SNVBAGLBSA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990943913 662786174 /nfs/dbraw/zinc/78/61/74/662786174.db2.gz IAOZMHMBWLWCEE-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990943908 662786231 /nfs/dbraw/zinc/78/62/31/662786231.db2.gz IAOZMHMBWLWCEE-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990943493 662786301 /nfs/dbraw/zinc/78/63/01/662786301.db2.gz NAZIFSXPACKJED-SNVBAGLBSA-N 1 1 322.369 -1.348 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1N ZINC000990956651 662787252 /nfs/dbraw/zinc/78/72/52/662787252.db2.gz VDNRPWFPPXQLFB-LLVKDONJSA-N 1 1 322.369 -1.727 20 0 DAADMO Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1N ZINC000990956651 662787255 /nfs/dbraw/zinc/78/72/55/662787255.db2.gz VDNRPWFPPXQLFB-LLVKDONJSA-N 1 1 322.369 -1.727 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3=CCOCC3)C2)C1 ZINC000990967883 662787555 /nfs/dbraw/zinc/78/75/55/662787555.db2.gz SJTVTCKYTDCCEC-CYBMUJFWSA-N 1 1 309.366 -1.009 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C3=CCOCC3)C2)C1 ZINC000990967883 662787557 /nfs/dbraw/zinc/78/75/57/662787557.db2.gz SJTVTCKYTDCCEC-CYBMUJFWSA-N 1 1 309.366 -1.009 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cncnc3)C2)C1 ZINC000990962704 662787813 /nfs/dbraw/zinc/78/78/13/662787813.db2.gz USWYTYRVRXRRPB-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cncnc3)C2)C1 ZINC000990962704 662787817 /nfs/dbraw/zinc/78/78/17/662787817.db2.gz USWYTYRVRXRRPB-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000938275837 662788338 /nfs/dbraw/zinc/78/83/38/662788338.db2.gz BEMOZPIZYPPMAZ-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000938275837 662788342 /nfs/dbraw/zinc/78/83/42/662788342.db2.gz BEMOZPIZYPPMAZ-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)n1 ZINC000991012188 662789636 /nfs/dbraw/zinc/78/96/36/662789636.db2.gz CBYSBJCCZKBPGM-JTQLQIEISA-N 1 1 321.385 -1.183 20 0 DAADMO COC[C@H]1C[NH2+]CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000903600407 662790147 /nfs/dbraw/zinc/79/01/47/662790147.db2.gz HJKCUHVIUNZBSO-SNVBAGLBSA-N 1 1 309.388 -1.354 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)N(C)CCC(=O)OC ZINC000903600404 662790299 /nfs/dbraw/zinc/79/02/99/662790299.db2.gz HJKCUHVIUNZBSO-JTQLQIEISA-N 1 1 309.388 -1.354 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000991047769 662791731 /nfs/dbraw/zinc/79/17/31/662791731.db2.gz ZALXUBTXLGZQEY-UHFFFAOYSA-N 1 1 319.365 -1.003 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000991048090 662791858 /nfs/dbraw/zinc/79/18/58/662791858.db2.gz LXXQOZNQYQQEJT-IINYFYTJSA-N 1 1 322.409 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000991045627 662791928 /nfs/dbraw/zinc/79/19/28/662791928.db2.gz JGVQXAWIXRNFOO-UHFFFAOYSA-N 1 1 319.365 -1.003 20 0 DAADMO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000905006883 662793047 /nfs/dbraw/zinc/79/30/47/662793047.db2.gz FTAMQKODAAKDKZ-JFILPPLUSA-N 1 1 322.409 -1.396 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000905017763 662793588 /nfs/dbraw/zinc/79/35/88/662793588.db2.gz WFONZFYIRUPUCI-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C[C@H]1[NH3+] ZINC000904986939 662793593 /nfs/dbraw/zinc/79/35/93/662793593.db2.gz MBDVWKULVQUMPE-SYQHCUMBSA-N 1 1 324.425 -1.150 20 0 DAADMO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000904985816 662793603 /nfs/dbraw/zinc/79/36/03/662793603.db2.gz DPVQTESXUNMPKA-MJBXVCDLSA-N 1 1 324.425 -1.006 20 0 DAADMO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904985749 662793959 /nfs/dbraw/zinc/79/39/59/662793959.db2.gz CPMKYAXXTUEGEV-AVGNSLFASA-N 1 1 312.414 -1.150 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000906801928 662796336 /nfs/dbraw/zinc/79/63/36/662796336.db2.gz YECCEKKFCCGBAS-UHFFFAOYSA-N 1 1 321.443 -1.343 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904989699 662794117 /nfs/dbraw/zinc/79/41/17/662794117.db2.gz NJBCYYRYFIUQLN-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO O=C(C(=O)N1CCNCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989699 662794119 /nfs/dbraw/zinc/79/41/19/662794119.db2.gz NJBCYYRYFIUQLN-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904988095 662794175 /nfs/dbraw/zinc/79/41/75/662794175.db2.gz SMMNBVKESZPRSH-BFHYXJOUSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCN1 ZINC000904988095 662794180 /nfs/dbraw/zinc/79/41/80/662794180.db2.gz SMMNBVKESZPRSH-BFHYXJOUSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000905023727 662794703 /nfs/dbraw/zinc/79/47/03/662794703.db2.gz URBSSEIWHIYQET-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000905023727 662794704 /nfs/dbraw/zinc/79/47/04/662794704.db2.gz URBSSEIWHIYQET-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000905022389 662794826 /nfs/dbraw/zinc/79/48/26/662794826.db2.gz QSSRXIARNUYLDF-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000905022389 662794829 /nfs/dbraw/zinc/79/48/29/662794829.db2.gz QSSRXIARNUYLDF-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1nccc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991059639 662795192 /nfs/dbraw/zinc/79/51/92/662795192.db2.gz DSKSVCDIPFGVTC-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1nccc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991059639 662795198 /nfs/dbraw/zinc/79/51/98/662795198.db2.gz DSKSVCDIPFGVTC-ZDUSSCGKSA-N 1 1 321.381 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cncnc3)C2)C1 ZINC000991069476 662795765 /nfs/dbraw/zinc/79/57/65/662795765.db2.gz CEXHHJTZCCHBTK-CYBMUJFWSA-N 1 1 319.365 -1.323 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3cncnc3)C2)C1 ZINC000991069476 662795769 /nfs/dbraw/zinc/79/57/69/662795769.db2.gz CEXHHJTZCCHBTK-CYBMUJFWSA-N 1 1 319.365 -1.323 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 ZINC000906471530 662796326 /nfs/dbraw/zinc/79/63/26/662796326.db2.gz UXFQNGBLWKDJQI-LBPRGKRZSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000906457966 662796348 /nfs/dbraw/zinc/79/63/48/662796348.db2.gz ZEYSOXKKQBFLJT-UHFFFAOYSA-N 1 1 318.443 -1.369 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000906637952 662796395 /nfs/dbraw/zinc/79/63/95/662796395.db2.gz YEWSIANMNAPKJO-UHFFFAOYSA-N 1 1 320.459 -1.076 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)CO)[C@H](C)C1 ZINC000907219812 662796592 /nfs/dbraw/zinc/79/65/92/662796592.db2.gz VYWGABRRKCDAET-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)CO)[C@H](C)C1 ZINC000907219812 662796593 /nfs/dbraw/zinc/79/65/93/662796593.db2.gz VYWGABRRKCDAET-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO C[C@H](O)C(=O)N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000907181859 662796617 /nfs/dbraw/zinc/79/66/17/662796617.db2.gz XWMZSJUJTBXJSV-LBPRGKRZSA-N 1 1 312.414 -1.469 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907102854 662796858 /nfs/dbraw/zinc/79/68/58/662796858.db2.gz YHXPLWOJHLCWHF-LBPRGKRZSA-N 1 1 318.443 -1.370 20 0 DAADMO C[C@@H](O)C(=O)N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000907181858 662796927 /nfs/dbraw/zinc/79/69/27/662796927.db2.gz XWMZSJUJTBXJSV-GFCCVEGCSA-N 1 1 312.414 -1.469 20 0 DAADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CN1CCNC(=O)C1 ZINC000907455864 662797500 /nfs/dbraw/zinc/79/75/00/662797500.db2.gz JNRMKLPHZZASNE-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000907615838 662797936 /nfs/dbraw/zinc/79/79/36/662797936.db2.gz HHKXARIUBSZAFB-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030022921 662799090 /nfs/dbraw/zinc/79/90/90/662799090.db2.gz CHTYCNSRBAYWDC-MXWKQRLJSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030022921 662799094 /nfs/dbraw/zinc/79/90/94/662799094.db2.gz CHTYCNSRBAYWDC-MXWKQRLJSA-N 1 1 322.365 -1.349 20 0 DAADMO CN1CC[NH+](C)CC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000908029555 662799311 /nfs/dbraw/zinc/79/93/11/662799311.db2.gz UCTOPVSESLDAJC-HNNXBMFYSA-N 1 1 309.458 -1.014 20 0 DAADMO CN1CC[NH+](C)CC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908029555 662799312 /nfs/dbraw/zinc/79/93/12/662799312.db2.gz UCTOPVSESLDAJC-HNNXBMFYSA-N 1 1 309.458 -1.014 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000908036041 662799323 /nfs/dbraw/zinc/79/93/23/662799323.db2.gz BRHQJKYXSBZIHQ-GZJRGEOXSA-N 1 1 305.400 -1.362 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991099895 662799751 /nfs/dbraw/zinc/79/97/51/662799751.db2.gz LJXRCJLDPGJMMA-FZNYLWTLSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@H]12 ZINC000991099895 662799752 /nfs/dbraw/zinc/79/97/52/662799752.db2.gz LJXRCJLDPGJMMA-FZNYLWTLSA-N 1 1 323.353 -1.817 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000991098413 662799762 /nfs/dbraw/zinc/79/97/62/662799762.db2.gz AJZIBDBKDHJCOF-PKFCDNJMSA-N 1 1 310.354 -1.310 20 0 DAADMO Cn1nncc1C(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000991102868 662800224 /nfs/dbraw/zinc/80/02/24/662800224.db2.gz PAHLYDBZAZKXRH-UHFFFAOYSA-N 1 1 322.369 -1.522 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991108969 662800284 /nfs/dbraw/zinc/80/02/84/662800284.db2.gz CHYNUUQJVJDNEX-NXEZZACHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991108969 662800285 /nfs/dbraw/zinc/80/02/85/662800285.db2.gz CHYNUUQJVJDNEX-NXEZZACHSA-N 1 1 312.326 -2.248 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991111235 662800766 /nfs/dbraw/zinc/80/07/66/662800766.db2.gz NTPCIWDPRWDFDT-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991111234 662800831 /nfs/dbraw/zinc/80/08/31/662800831.db2.gz NTPCIWDPRWDFDT-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cnnn2C)C1 ZINC000991111233 662800878 /nfs/dbraw/zinc/80/08/78/662800878.db2.gz NTPCIWDPRWDFDT-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)cc1=O ZINC000991116153 662801090 /nfs/dbraw/zinc/80/10/90/662801090.db2.gz IUGWVCOVYIXNQO-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1cnc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)cc1=O ZINC000991116153 662801092 /nfs/dbraw/zinc/80/10/92/662801092.db2.gz IUGWVCOVYIXNQO-NHYWBVRUSA-N 1 1 319.365 -1.008 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991118328 662801394 /nfs/dbraw/zinc/80/13/94/662801394.db2.gz VMJVKLVRBPXBHB-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991118329 662801457 /nfs/dbraw/zinc/80/14/57/662801457.db2.gz VMJVKLVRBPXBHB-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991120353 662801619 /nfs/dbraw/zinc/80/16/19/662801619.db2.gz JMMRFEQJUSHLHE-JTQLQIEISA-N 1 1 307.310 -1.373 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000991124797 662802043 /nfs/dbraw/zinc/80/20/43/662802043.db2.gz JTZCTMPHXKNSHY-ONGXEEELSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991120961 662802047 /nfs/dbraw/zinc/80/20/47/662802047.db2.gz RCGNQGXLNUTXAF-MWLCHTKSSA-N 1 1 310.354 -1.236 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC000908239754 662802695 /nfs/dbraw/zinc/80/26/95/662802695.db2.gz MLMUBNZFWKWHGR-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO CN(CCCN(C)C(=O)CN1CCNC(=O)C1)CC[NH+](C)C ZINC000908239754 662802697 /nfs/dbraw/zinc/80/26/97/662802697.db2.gz MLMUBNZFWKWHGR-UHFFFAOYSA-N 1 1 313.446 -1.240 20 0 DAADMO CN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000908346714 662802709 /nfs/dbraw/zinc/80/27/09/662802709.db2.gz NSRNRICODKCTQY-MDZLAQPJSA-N 1 1 319.427 -1.066 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908560594 662802850 /nfs/dbraw/zinc/80/28/50/662802850.db2.gz TZSXDLVZGCQETI-CKYFFXLPSA-N 1 1 307.416 -1.115 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000908532781 662802899 /nfs/dbraw/zinc/80/28/99/662802899.db2.gz ANTDOJFWKPOZOF-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908560597 662802932 /nfs/dbraw/zinc/80/29/32/662802932.db2.gz TZSXDLVZGCQETI-SCVCMEIPSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908560596 662803029 /nfs/dbraw/zinc/80/30/29/662803029.db2.gz TZSXDLVZGCQETI-JFGNBEQYSA-N 1 1 307.416 -1.115 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)O1 ZINC000991164948 662804147 /nfs/dbraw/zinc/80/41/47/662804147.db2.gz YSGFIKIXRMJIHD-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)O1 ZINC000991164948 662804149 /nfs/dbraw/zinc/80/41/49/662804149.db2.gz YSGFIKIXRMJIHD-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H](C)[N@H+]1CCO ZINC000909031447 662804500 /nfs/dbraw/zinc/80/45/00/662804500.db2.gz JDHCCECHERRCDU-PHIMTYICSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000909031447 662804501 /nfs/dbraw/zinc/80/45/01/662804501.db2.gz JDHCCECHERRCDU-PHIMTYICSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991176606 663126612 /nfs/dbraw/zinc/12/66/12/663126612.db2.gz LVHXHQHNEVRUNS-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991175857 663126640 /nfs/dbraw/zinc/12/66/40/663126640.db2.gz FZNOUMUWMLROEJ-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cn(C)nn2)C1 ZINC000991176607 663126684 /nfs/dbraw/zinc/12/66/84/663126684.db2.gz LVHXHQHNEVRUNS-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001038380111 663127614 /nfs/dbraw/zinc/12/76/14/663127614.db2.gz ZDRQFFCUZIARRD-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001038380111 663127617 /nfs/dbraw/zinc/12/76/17/663127617.db2.gz ZDRQFFCUZIARRD-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2ncn(C)n2)C1 ZINC000991188419 663127695 /nfs/dbraw/zinc/12/76/95/663127695.db2.gz ZGFYEGIMSPJWMA-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC000909895196 663127799 /nfs/dbraw/zinc/12/77/99/663127799.db2.gz WQXFVGMMRBELIS-UHFFFAOYSA-N 1 1 311.386 -2.364 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[N@@H+](C)C1 ZINC000910413198 663129102 /nfs/dbraw/zinc/12/91/02/663129102.db2.gz KQDVGYGNXMMAQD-LLVKDONJSA-N 1 1 312.370 -2.019 20 0 DAADMO COCC(COC)[NH+]1CCN(C(=O)CCNC(=O)CO)CC1 ZINC000910402252 663129149 /nfs/dbraw/zinc/12/91/49/663129149.db2.gz FQOJHGJTASPHIZ-UHFFFAOYSA-N 1 1 317.386 -1.709 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000910612686 663130869 /nfs/dbraw/zinc/13/08/69/663130869.db2.gz JGUMJXPTAYATSH-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000910612686 663130871 /nfs/dbraw/zinc/13/08/71/663130871.db2.gz JGUMJXPTAYATSH-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000910708144 663131504 /nfs/dbraw/zinc/13/15/04/663131504.db2.gz UJCQZGSDBHTWTA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000910708144 663131505 /nfs/dbraw/zinc/13/15/05/663131505.db2.gz UJCQZGSDBHTWTA-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CN(CCOCCO)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910686279 663131555 /nfs/dbraw/zinc/13/15/55/663131555.db2.gz APKXNHSAMSXIGM-SWLSCSKDSA-N 1 1 313.398 -1.136 20 0 DAADMO CCN1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000910738898 663132259 /nfs/dbraw/zinc/13/22/59/663132259.db2.gz ZWRVNAMUUCALHE-FRRDWIJNSA-N 1 1 310.398 -1.526 20 0 DAADMO Cc1nnc(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000991277203 663132305 /nfs/dbraw/zinc/13/23/05/663132305.db2.gz CFYBQQPSRBSEPH-JTQLQIEISA-N 1 1 306.370 -1.066 20 0 DAADMO Cc1nc(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000991277203 663132306 /nfs/dbraw/zinc/13/23/06/663132306.db2.gz CFYBQQPSRBSEPH-JTQLQIEISA-N 1 1 306.370 -1.066 20 0 DAADMO Cc1nc(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000991277203 663132307 /nfs/dbraw/zinc/13/23/07/663132307.db2.gz CFYBQQPSRBSEPH-JTQLQIEISA-N 1 1 306.370 -1.066 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000910738034 663132316 /nfs/dbraw/zinc/13/23/16/663132316.db2.gz TUJWRPBLNVDYKF-QNSTZXKLSA-N 1 1 323.393 -1.507 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1(C)C ZINC000910774908 663133343 /nfs/dbraw/zinc/13/33/43/663133343.db2.gz NPUQGOJHLSRRAK-NWDGAFQWSA-N 1 1 313.398 -1.259 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1(C)C ZINC000910774908 663133347 /nfs/dbraw/zinc/13/33/47/663133347.db2.gz NPUQGOJHLSRRAK-NWDGAFQWSA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(C(=O)N1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910922031 663134419 /nfs/dbraw/zinc/13/44/19/663134419.db2.gz FIGAPOLIMZVQLO-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910922032 663134660 /nfs/dbraw/zinc/13/46/60/663134660.db2.gz FIGAPOLIMZVQLO-STQMWFEESA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929026 663134757 /nfs/dbraw/zinc/13/47/57/663134757.db2.gz SVQYQCCBQSEGAO-WDEREUQCSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929026 663134758 /nfs/dbraw/zinc/13/47/58/663134758.db2.gz SVQYQCCBQSEGAO-WDEREUQCSA-N 1 1 319.427 -1.209 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000910994107 663135472 /nfs/dbraw/zinc/13/54/72/663135472.db2.gz VUAXCNXABIYUPM-NWDGAFQWSA-N 1 1 314.386 -1.521 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911031303 663135592 /nfs/dbraw/zinc/13/55/92/663135592.db2.gz PIEROBRLPIUEEG-RYUDHWBXSA-N 1 1 311.430 -1.537 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911032377 663135804 /nfs/dbraw/zinc/13/58/04/663135804.db2.gz UDLBDCVKTUXHEX-NEPJUHHUSA-N 1 1 311.430 -1.456 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911032386 663136102 /nfs/dbraw/zinc/13/61/02/663136102.db2.gz UDLBDCVKTUXHEX-VXGBXAGGSA-N 1 1 311.430 -1.456 20 0 DAADMO Cn1cc(C[C@H](CO)NC(=O)C2CN(C)CC[N@@H+](C)C2)cn1 ZINC000911101459 663136948 /nfs/dbraw/zinc/13/69/48/663136948.db2.gz HCFHOAMUAUGEPB-CQSZACIVSA-N 1 1 309.414 -1.067 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911239629 663139317 /nfs/dbraw/zinc/13/93/17/663139317.db2.gz CZLFWYPXACGWSY-FVCCEPFGSA-N 1 1 310.398 -1.168 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911196320 663139331 /nfs/dbraw/zinc/13/93/31/663139331.db2.gz WNZYXMSMPDQCAG-GHMZBOCLSA-N 1 1 300.359 -1.767 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236412 663139640 /nfs/dbraw/zinc/13/96/40/663139640.db2.gz QQYODCZZPCWJIR-AGIUHOORSA-N 1 1 312.414 -1.205 20 0 DAADMO C[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911271278 663140459 /nfs/dbraw/zinc/14/04/59/663140459.db2.gz ZUDFVXYTVHYMSP-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CNOC1)CN1CC[NH+](C)CC1 ZINC000911269863 663140595 /nfs/dbraw/zinc/14/05/95/663140595.db2.gz PFWPSKXKMDGXLC-RYUDHWBXSA-N 1 1 313.402 -1.994 20 0 DAADMO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911265225 663140810 /nfs/dbraw/zinc/14/08/10/663140810.db2.gz BHWNAINIRKLAHA-RDBSUJKOSA-N 1 1 324.425 -1.088 20 0 DAADMO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000911298617 663140905 /nfs/dbraw/zinc/14/09/05/663140905.db2.gz SCFDBQCBUMLUJN-MJBXVCDLSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911265222 663140914 /nfs/dbraw/zinc/14/09/14/663140914.db2.gz BHWNAINIRKLAHA-HZSPNIEDSA-N 1 1 324.425 -1.088 20 0 DAADMO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000911298613 663140987 /nfs/dbraw/zinc/14/09/87/663140987.db2.gz SCFDBQCBUMLUJN-IHRRRGAJSA-N 1 1 324.425 -1.103 20 0 DAADMO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911292128 663141050 /nfs/dbraw/zinc/14/10/50/663141050.db2.gz PAZTZDQYPJBBQO-FRRDWIJNSA-N 1 1 312.414 -1.245 20 0 DAADMO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911286967 663141448 /nfs/dbraw/zinc/14/14/48/663141448.db2.gz BHWNAINIRKLAHA-IHRRRGAJSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@@H](CN1CCOCC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000911305036 663141486 /nfs/dbraw/zinc/14/14/86/663141486.db2.gz DXGPSSNDGJXXJP-JTQLQIEISA-N 1 1 322.356 -1.076 20 0 DAADMO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911282229 663141867 /nfs/dbraw/zinc/14/18/67/663141867.db2.gz OWBLWTUETGZHLH-MELADBBJSA-N 1 1 324.425 -1.088 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)C[NH+](C)C ZINC000911345955 663142884 /nfs/dbraw/zinc/14/28/84/663142884.db2.gz LZPSHRQARDRWCO-RYUDHWBXSA-N 1 1 316.402 -1.826 20 0 DAADMO CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)C[NH+](C)C ZINC000911345953 663143118 /nfs/dbraw/zinc/14/31/18/663143118.db2.gz LZPSHRQARDRWCO-NEPJUHHUSA-N 1 1 316.402 -1.826 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911339351 663143165 /nfs/dbraw/zinc/14/31/65/663143165.db2.gz VPCDOHWVSJPDMB-RWMBFGLXSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911384256 663143245 /nfs/dbraw/zinc/14/32/45/663143245.db2.gz ZQDLJCRSUZLQTG-MROQNXINSA-N 1 1 310.398 -1.765 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911366813 663143562 /nfs/dbraw/zinc/14/35/62/663143562.db2.gz JRAJYDQGGDVVOP-AAVRWANBSA-N 1 1 324.425 -1.232 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)C[NH+](C)C ZINC000911433623 663144476 /nfs/dbraw/zinc/14/44/76/663144476.db2.gz BUGFDTPPNSZQOC-IJLUTSLNSA-N 1 1 318.393 -1.033 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)N1CCNC[C@H]1C)C[NH+](C)C ZINC000911433643 663144680 /nfs/dbraw/zinc/14/46/80/663144680.db2.gz COWLTZGMDLSEQX-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)N1CCN[C@H](C)C1)C[NH+](C)C ZINC000911433609 663144783 /nfs/dbraw/zinc/14/47/83/663144783.db2.gz BJTRXHQGDHQOLO-VXGBXAGGSA-N 1 1 300.403 -1.110 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911464987 663145482 /nfs/dbraw/zinc/14/54/82/663145482.db2.gz XNZSXLBCWPOOJF-NSHDSACASA-N 1 1 314.386 -1.425 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000911465599 663145636 /nfs/dbraw/zinc/14/56/36/663145636.db2.gz UZLLJOUAGBHXEK-VXGBXAGGSA-N 1 1 312.370 -1.813 20 0 DAADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CNOC2)C[C@H](C)O1 ZINC000911467238 663146002 /nfs/dbraw/zinc/14/60/02/663146002.db2.gz JUIZKCVPDHTOAO-TUAOUCFPSA-N 1 1 314.386 -1.379 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000911465598 663146114 /nfs/dbraw/zinc/14/61/14/663146114.db2.gz UZLLJOUAGBHXEK-NWDGAFQWSA-N 1 1 312.370 -1.813 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911465572 663146142 /nfs/dbraw/zinc/14/61/42/663146142.db2.gz UADFZWBUIICEDE-GFCCVEGCSA-N 1 1 313.402 -1.898 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911457107 663146847 /nfs/dbraw/zinc/14/68/47/663146847.db2.gz SXPHOIFEYHQNGM-UTUOFQBUSA-N 1 1 312.370 -1.936 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911457104 663146956 /nfs/dbraw/zinc/14/69/56/663146956.db2.gz SXPHOIFEYHQNGM-GRYCIOLGSA-N 1 1 312.370 -1.936 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911457106 663147051 /nfs/dbraw/zinc/14/70/51/663147051.db2.gz SXPHOIFEYHQNGM-IJLUTSLNSA-N 1 1 312.370 -1.936 20 0 DAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462561 663147147 /nfs/dbraw/zinc/14/71/47/663147147.db2.gz YTMOSCROFMPABM-WDEREUQCSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462561 663147149 /nfs/dbraw/zinc/14/71/49/663147149.db2.gz YTMOSCROFMPABM-WDEREUQCSA-N 1 1 314.386 -1.690 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911462856 663147189 /nfs/dbraw/zinc/14/71/89/663147189.db2.gz BRWQNTJSRMAFJQ-LLVKDONJSA-N 1 1 314.386 -1.689 20 0 DAADMO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911529664 663147817 /nfs/dbraw/zinc/14/78/17/663147817.db2.gz WGRBZDXKVVPNDM-QJPTWQEYSA-N 1 1 310.398 -1.622 20 0 DAADMO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911562734 663148106 /nfs/dbraw/zinc/14/81/06/663148106.db2.gz LLRSLKZICZDWNI-MELADBBJSA-N 1 1 324.425 -1.088 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC000911533143 663148140 /nfs/dbraw/zinc/14/81/40/663148140.db2.gz ICGPRGCOJHSAQY-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911562733 663148202 /nfs/dbraw/zinc/14/82/02/663148202.db2.gz LLRSLKZICZDWNI-HZSPNIEDSA-N 1 1 324.425 -1.088 20 0 DAADMO NOCCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911513574 663148444 /nfs/dbraw/zinc/14/84/44/663148444.db2.gz FXHFCZZTSKGZGO-UHFFFAOYSA-N 1 1 314.386 -1.294 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000911608173 663149555 /nfs/dbraw/zinc/14/95/55/663149555.db2.gz ZUSINGAOMNYUTO-ZHPDPMBESA-N 1 1 300.355 -1.176 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000911608171 663150157 /nfs/dbraw/zinc/15/01/57/663150157.db2.gz ZUSINGAOMNYUTO-YAMSLAJTSA-N 1 1 300.355 -1.176 20 0 DAADMO C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C[C@H](O)C[NH2+]1 ZINC000911701525 663150483 /nfs/dbraw/zinc/15/04/83/663150483.db2.gz DEVLLCOGJMZSCM-HEHGZKQESA-N 1 1 324.425 -1.230 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC000911858825 663151329 /nfs/dbraw/zinc/15/13/29/663151329.db2.gz BDQOUMYQHKOCMK-UHFFFAOYSA-N 1 1 314.386 -1.007 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000911901750 663152051 /nfs/dbraw/zinc/15/20/51/663152051.db2.gz LHUAOKKWKMEVEV-RISCZKNCSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901750 663152054 /nfs/dbraw/zinc/15/20/54/663152054.db2.gz LHUAOKKWKMEVEV-RISCZKNCSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000911901750 663152055 /nfs/dbraw/zinc/15/20/55/663152055.db2.gz LHUAOKKWKMEVEV-RISCZKNCSA-N 1 1 308.386 -1.096 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000911885146 663152093 /nfs/dbraw/zinc/15/20/93/663152093.db2.gz VQLVKYBQIATMGE-UMNHJUIQSA-N 1 1 305.400 -1.408 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000912054724 663152793 /nfs/dbraw/zinc/15/27/93/663152793.db2.gz QOCKLMYLAKHILD-SMDDNHRTSA-N 1 1 308.386 -1.081 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3COCCN3C)CC2)n1 ZINC000991371344 663152806 /nfs/dbraw/zinc/15/28/06/663152806.db2.gz CWHBYRYSFQGSCQ-GFCCVEGCSA-N 1 1 323.401 -1.379 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(OCCO)CCOC2)C1 ZINC000912387860 663153067 /nfs/dbraw/zinc/15/30/67/663153067.db2.gz CKRDXRJULYFNTN-OAHLLOKOSA-N 1 1 315.414 -1.236 20 0 DAADMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000912387863 663153198 /nfs/dbraw/zinc/15/31/98/663153198.db2.gz CLEPKTITCFJYDM-KWCYVHTRSA-N 1 1 302.371 -1.274 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000912387863 663153206 /nfs/dbraw/zinc/15/32/06/663153206.db2.gz CLEPKTITCFJYDM-KWCYVHTRSA-N 1 1 302.371 -1.274 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912396470 663153320 /nfs/dbraw/zinc/15/33/20/663153320.db2.gz PKYRZTKBAFSLRR-VXGBXAGGSA-N 1 1 319.427 -1.592 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912396470 663153321 /nfs/dbraw/zinc/15/33/21/663153321.db2.gz PKYRZTKBAFSLRR-VXGBXAGGSA-N 1 1 319.427 -1.592 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000912610796 663153675 /nfs/dbraw/zinc/15/36/75/663153675.db2.gz MRPRXUNGYRYDDY-AATRIKPKSA-N 1 1 324.381 -1.520 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000912604185 663154091 /nfs/dbraw/zinc/15/40/91/663154091.db2.gz IGWWJVSZAMJQJM-HNNXBMFYSA-N 1 1 311.382 -1.018 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)CN1CCCCS1(=O)=O ZINC000912613326 663154401 /nfs/dbraw/zinc/15/44/01/663154401.db2.gz ZVGUKEUBSQRQRZ-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C(=O)C1=O ZINC000912747491 663154810 /nfs/dbraw/zinc/15/48/10/663154810.db2.gz KPEGPRIBZXBCRH-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C(=O)C1=O ZINC000912747491 663154814 /nfs/dbraw/zinc/15/48/14/663154814.db2.gz KPEGPRIBZXBCRH-LLVKDONJSA-N 1 1 312.370 -2.188 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000912715044 663154868 /nfs/dbraw/zinc/15/48/68/663154868.db2.gz LUQPNTGKJIQANU-CHWSQXEVSA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](CO)C1 ZINC000912736254 663155123 /nfs/dbraw/zinc/15/51/23/663155123.db2.gz QPLKHCVVYNAWHK-LLVKDONJSA-N 1 1 309.370 -1.484 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](CO)C1 ZINC000912736254 663155124 /nfs/dbraw/zinc/15/51/24/663155124.db2.gz QPLKHCVVYNAWHK-LLVKDONJSA-N 1 1 309.370 -1.484 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](C)C[C@@H]2CO)Cn2nnnc2N1C ZINC000912738540 663155136 /nfs/dbraw/zinc/15/51/36/663155136.db2.gz HQQPIPSUISNHOV-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)Cn2nnnc2N1C ZINC000912738540 663155137 /nfs/dbraw/zinc/15/51/37/663155137.db2.gz HQQPIPSUISNHOV-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](C)C[C@H]2CO)Cn2nnnc2N1C ZINC000912738539 663155205 /nfs/dbraw/zinc/15/52/05/663155205.db2.gz HQQPIPSUISNHOV-JTQLQIEISA-N 1 1 307.358 -1.468 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](C)C[C@H]2CO)Cn2nnnc2N1C ZINC000912738539 663155206 /nfs/dbraw/zinc/15/52/06/663155206.db2.gz HQQPIPSUISNHOV-JTQLQIEISA-N 1 1 307.358 -1.468 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](CO)C1 ZINC000912746234 663155301 /nfs/dbraw/zinc/15/53/01/663155301.db2.gz DXFBHVGVLDBOBA-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2CCCS2(=O)=O)[C@H](CO)C1 ZINC000912746234 663155305 /nfs/dbraw/zinc/15/53/05/663155305.db2.gz DXFBHVGVLDBOBA-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@H+](C)C[C@@H]1CO)c2=O ZINC000912749466 663155529 /nfs/dbraw/zinc/15/55/29/663155529.db2.gz ZYBSAUOMZREKPW-SNVBAGLBSA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)c2=O ZINC000912749466 663155531 /nfs/dbraw/zinc/15/55/31/663155531.db2.gz ZYBSAUOMZREKPW-SNVBAGLBSA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@H+](C)C[C@H]1CO)c2=O ZINC000912749465 663155611 /nfs/dbraw/zinc/15/56/11/663155611.db2.gz ZYBSAUOMZREKPW-JTQLQIEISA-N 1 1 320.353 -1.735 20 0 DAADMO Cn1ncc2c1ncn(CC(=O)N1CC[N@@H+](C)C[C@H]1CO)c2=O ZINC000912749465 663155612 /nfs/dbraw/zinc/15/56/12/663155612.db2.gz ZYBSAUOMZREKPW-JTQLQIEISA-N 1 1 320.353 -1.735 20 0 DAADMO C[N@@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](CO)C1 ZINC000912748820 663155765 /nfs/dbraw/zinc/15/57/65/663155765.db2.gz HCDOCWTUYYRVPM-XHDPSFHLSA-N 1 1 324.381 -1.158 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](CO)C1 ZINC000912748820 663155766 /nfs/dbraw/zinc/15/57/66/663155766.db2.gz HCDOCWTUYYRVPM-XHDPSFHLSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)[NH+]1CCSCC1 ZINC000913055771 663156017 /nfs/dbraw/zinc/15/60/17/663156017.db2.gz BTPDTDWWWPOVKH-MRVPVSSYSA-N 1 1 308.429 -1.572 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC(NS(N)(=O)=O)C2)C1 ZINC000913056728 663156156 /nfs/dbraw/zinc/15/61/56/663156156.db2.gz BTODZUMADTZNFI-UHFFFAOYSA-N 1 1 305.404 -2.516 20 0 DAADMO CC(C)CN1C[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC000913190603 663156370 /nfs/dbraw/zinc/15/63/70/663156370.db2.gz FHABXRHQAXLIAS-IUODEOHRSA-N 1 1 313.398 -1.042 20 0 DAADMO O=C(CNC(=O)c1cccs1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913196799 663156399 /nfs/dbraw/zinc/15/63/99/663156399.db2.gz QFOOEDUBCBXGAQ-CYBMUJFWSA-N 1 1 313.379 -1.055 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913191425 663156525 /nfs/dbraw/zinc/15/65/25/663156525.db2.gz RLPNWDUMBVFRMD-CMPLNLGQSA-N 1 1 303.384 -1.625 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@]2(CO)COCCN2)C1 ZINC000913196915 663156531 /nfs/dbraw/zinc/15/65/31/663156531.db2.gz VFRQIRYEWFHLQR-UONOGXRCSA-N 1 1 301.387 -1.700 20 0 DAADMO CC(C)CN1C[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC000913190607 663156595 /nfs/dbraw/zinc/15/65/95/663156595.db2.gz FHABXRHQAXLIAS-WFASDCNBSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@]2(CO)COCCN2)C1 ZINC000913196913 663156710 /nfs/dbraw/zinc/15/67/10/663156710.db2.gz VFRQIRYEWFHLQR-KBPBESRZSA-N 1 1 301.387 -1.700 20 0 DAADMO O=C(CNC(=O)Cc1ccccc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913191909 663156728 /nfs/dbraw/zinc/15/67/28/663156728.db2.gz QQRSDLZVUKKYQV-MRXNPFEDSA-N 1 1 321.377 -1.188 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000913437158 663157664 /nfs/dbraw/zinc/15/76/64/663157664.db2.gz PDCTXMRSPQMAJO-ZAOWEBSESA-N 1 1 309.366 -1.047 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1CO ZINC000913541544 663158368 /nfs/dbraw/zinc/15/83/68/663158368.db2.gz PCSLGPRVDQFQAR-LLVKDONJSA-N 1 1 309.370 -1.484 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)C[C@@H]1CO ZINC000913541544 663158369 /nfs/dbraw/zinc/15/83/69/663158369.db2.gz PCSLGPRVDQFQAR-LLVKDONJSA-N 1 1 309.370 -1.484 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)c1=O ZINC000991473554 663158829 /nfs/dbraw/zinc/15/88/29/663158829.db2.gz ORUVFIUOPXJTOQ-SMDDNHRTSA-N 1 1 309.370 -1.313 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000991482635 663159089 /nfs/dbraw/zinc/15/90/89/663159089.db2.gz GKGDKHLHHQYJSL-VXGBXAGGSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000991482631 663159206 /nfs/dbraw/zinc/15/92/06/663159206.db2.gz GKGDKHLHHQYJSL-RYUDHWBXSA-N 1 1 323.397 -1.132 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1O ZINC000991485537 663159390 /nfs/dbraw/zinc/15/93/90/663159390.db2.gz OSYJMQBDEOTHLB-QWRGUYRKSA-N 1 1 323.353 -1.855 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030034342 663160639 /nfs/dbraw/zinc/16/06/39/663160639.db2.gz FPWKCSBXRVLQNC-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030034342 663160640 /nfs/dbraw/zinc/16/06/40/663160640.db2.gz FPWKCSBXRVLQNC-LPEHRKFASA-N 1 1 323.353 -1.946 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC000947324014 663161003 /nfs/dbraw/zinc/16/10/03/663161003.db2.gz OWACRVSVEDZRML-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC000947324003 663161099 /nfs/dbraw/zinc/16/10/99/663161099.db2.gz ONLMYGMOKVQAKT-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC000947324690 663161707 /nfs/dbraw/zinc/16/17/07/663161707.db2.gz UQUGDUVJCGNNSS-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC000947324690 663161709 /nfs/dbraw/zinc/16/17/09/663161709.db2.gz UQUGDUVJCGNNSS-IUCAKERBSA-N 1 1 323.357 -2.169 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991557063 663162551 /nfs/dbraw/zinc/16/25/51/663162551.db2.gz LWRLKBGJGYQHCI-SCZZXKLOSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC000947313776 663164584 /nfs/dbraw/zinc/16/45/84/663164584.db2.gz CKBCUTQFAAEWRA-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001011862103 663166003 /nfs/dbraw/zinc/16/60/03/663166003.db2.gz VXWLJYPIFJHGRN-WCBMZHEXSA-N 1 1 323.353 -1.059 20 0 DAADMO Cc1ccnn1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991585288 663166282 /nfs/dbraw/zinc/16/62/82/663166282.db2.gz FVYHKKLMJHEYLK-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccnn1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991585288 663166285 /nfs/dbraw/zinc/16/62/85/663166285.db2.gz FVYHKKLMJHEYLK-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccnn1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991585286 663166386 /nfs/dbraw/zinc/16/63/86/663166386.db2.gz FVYHKKLMJHEYLK-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccnn1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991585286 663166387 /nfs/dbraw/zinc/16/63/87/663166387.db2.gz FVYHKKLMJHEYLK-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030155708 663167025 /nfs/dbraw/zinc/16/70/25/663167025.db2.gz RGAXCQYYZCHTJY-ZDUSSCGKSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(CC(=O)N2CCNC(=O)C2)C1 ZINC001030156562 663167613 /nfs/dbraw/zinc/16/76/13/663167613.db2.gz ZWYRJGZLTHMUMN-GFCCVEGCSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CCC[C@H](N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030182108 663169439 /nfs/dbraw/zinc/16/94/39/663169439.db2.gz HXQQXMSSDWLQJS-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CN1CCC[C@H](N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030182108 663169442 /nfs/dbraw/zinc/16/94/42/663169442.db2.gz HXQQXMSSDWLQJS-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C)c1noc(CN2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001030182697 663169507 /nfs/dbraw/zinc/16/95/07/663169507.db2.gz NCXOSLFHKNKTRP-NSHDSACASA-N 1 1 324.385 -1.233 20 0 DAADMO CN(C)c1noc(CN2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001030182697 663169509 /nfs/dbraw/zinc/16/95/09/663169509.db2.gz NCXOSLFHKNKTRP-NSHDSACASA-N 1 1 324.385 -1.233 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185140 663169710 /nfs/dbraw/zinc/16/97/10/663169710.db2.gz ZZLPOIQPLFXXQK-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185140 663169713 /nfs/dbraw/zinc/16/97/13/663169713.db2.gz ZZLPOIQPLFXXQK-QWRGUYRKSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001030180307 663169761 /nfs/dbraw/zinc/16/97/61/663169761.db2.gz NZMUFDUODJVWCT-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(CCN3C(=O)CCC3=O)C2)C1 ZINC001030180307 663169763 /nfs/dbraw/zinc/16/97/63/663169763.db2.gz NZMUFDUODJVWCT-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185138 663169829 /nfs/dbraw/zinc/16/98/29/663169829.db2.gz ZZLPOIQPLFXXQK-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030185138 663169831 /nfs/dbraw/zinc/16/98/31/663169831.db2.gz ZZLPOIQPLFXXQK-GHMZBOCLSA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCN3CCNC3=O)C2)C1 ZINC001030181169 663169961 /nfs/dbraw/zinc/16/99/61/663169961.db2.gz AWGMJJZNFUQDNP-GFCCVEGCSA-N 1 1 311.386 -1.857 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCN3CCNC3=O)C2)C1 ZINC001030181169 663169962 /nfs/dbraw/zinc/16/99/62/663169962.db2.gz AWGMJJZNFUQDNP-GFCCVEGCSA-N 1 1 311.386 -1.857 20 0 DAADMO CCCn1nnnc1CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180252 663169981 /nfs/dbraw/zinc/16/99/81/663169981.db2.gz NBWVWQCXDDNFEX-GFCCVEGCSA-N 1 1 323.401 -1.286 20 0 DAADMO CCCn1nnnc1CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180252 663169983 /nfs/dbraw/zinc/16/99/83/663169983.db2.gz NBWVWQCXDDNFEX-GFCCVEGCSA-N 1 1 323.401 -1.286 20 0 DAADMO COCC(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991612517 663171305 /nfs/dbraw/zinc/17/13/05/663171305.db2.gz LWJAXMKGVMVWBO-RYUDHWBXSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991613078 663171364 /nfs/dbraw/zinc/17/13/64/663171364.db2.gz NFDPHYRAMQQQLA-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1O ZINC000991614787 663171376 /nfs/dbraw/zinc/17/13/76/663171376.db2.gz RAQKNUWQWBIZTC-MNOVXSKESA-N 1 1 323.353 -1.855 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991613084 663171516 /nfs/dbraw/zinc/17/15/16/663171516.db2.gz NFDPHYRAMQQQLA-VHSXEESVSA-N 1 1 309.326 -2.245 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)n1 ZINC001030339870 663180433 /nfs/dbraw/zinc/18/04/33/663180433.db2.gz LGCSHQAIJMUKFO-JTQLQIEISA-N 1 1 322.369 -1.396 20 0 DAADMO O=C(CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)NC1CC1 ZINC001030347788 663180889 /nfs/dbraw/zinc/18/08/89/663180889.db2.gz PHBREQSXKRPPLA-UONOGXRCSA-N 1 1 322.409 -1.071 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347605 663180934 /nfs/dbraw/zinc/18/09/34/663180934.db2.gz NGRQONRJQOODCV-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1)NC1CC1 ZINC001030347785 663180984 /nfs/dbraw/zinc/18/09/84/663180984.db2.gz PHBREQSXKRPPLA-KBPBESRZSA-N 1 1 322.409 -1.071 20 0 DAADMO Cn1nnnc1CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030349087 663181051 /nfs/dbraw/zinc/18/10/51/663181051.db2.gz ZQGVNAFEIMFNNN-VXGBXAGGSA-N 1 1 321.385 -1.626 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000991707736 663183959 /nfs/dbraw/zinc/18/39/59/663183959.db2.gz CTUJRMRBULILAX-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1 ZINC000991709760 663184278 /nfs/dbraw/zinc/18/42/78/663184278.db2.gz LKQDRQYFMYOHOZ-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC000991714597 663185029 /nfs/dbraw/zinc/18/50/29/663185029.db2.gz ZYQNUABQSYWMQK-VIFPVBQESA-N 1 1 322.365 -1.682 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1)OC ZINC001030398513 663185045 /nfs/dbraw/zinc/18/50/45/663185045.db2.gz IQTKWWLGVNSUHH-LBPRGKRZSA-N 1 1 324.381 -1.228 20 0 DAADMO Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n(C)c1=O ZINC000991718119 663185733 /nfs/dbraw/zinc/18/57/33/663185733.db2.gz HXNOCUFYTBETQF-SNVBAGLBSA-N 1 1 321.381 -1.384 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000991721010 663185996 /nfs/dbraw/zinc/18/59/96/663185996.db2.gz BRSDCVRABKAGNW-UWVGGRQHSA-N 1 1 322.365 -1.682 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000991721011 663186162 /nfs/dbraw/zinc/18/61/62/663186162.db2.gz BRSDCVRABKAGNW-VHSXEESVSA-N 1 1 322.365 -1.682 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000991720276 663186185 /nfs/dbraw/zinc/18/61/85/663186185.db2.gz ZFSODESYVGLAIU-VIFPVBQESA-N 1 1 315.395 -1.690 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC000991721012 663186231 /nfs/dbraw/zinc/18/62/31/663186231.db2.gz BRSDCVRABKAGNW-ZJUUUORDSA-N 1 1 322.365 -1.682 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991722556 663186551 /nfs/dbraw/zinc/18/65/51/663186551.db2.gz PIRCJRJQUKBUSU-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000991724332 663187117 /nfs/dbraw/zinc/18/71/17/663187117.db2.gz UINFDCJYBCRRIH-WDEREUQCSA-N 1 1 308.382 -1.257 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991724569 663187240 /nfs/dbraw/zinc/18/72/40/663187240.db2.gz VOOSDISFXLMUPW-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991723883 663187847 /nfs/dbraw/zinc/18/78/47/663187847.db2.gz UJNFOBKZPJNUOJ-WPRPVWTQSA-N 1 1 323.353 -2.137 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000991727031 663188114 /nfs/dbraw/zinc/18/81/14/663188114.db2.gz KDQNNPARHGSJMW-MEBBXXQBSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000991726756 663188311 /nfs/dbraw/zinc/18/83/11/663188311.db2.gz IEWUNRWNWXQTJQ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)O1 ZINC000991729115 663188507 /nfs/dbraw/zinc/18/85/07/663188507.db2.gz OCVQUFJYFCPLRJ-YRGRVCCFSA-N 1 1 324.425 -1.016 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC000991729343 663188531 /nfs/dbraw/zinc/18/85/31/663188531.db2.gz AZTZEYWDENTIMA-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000991728486 663189465 /nfs/dbraw/zinc/18/94/65/663189465.db2.gz MMDJGQJSBQOPEB-ZYHUDNBSSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000991731503 663189797 /nfs/dbraw/zinc/18/97/97/663189797.db2.gz SZWSUVWZSHTOTE-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991738848 663191608 /nfs/dbraw/zinc/19/16/08/663191608.db2.gz JSOOISSVSONJBB-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991738848 663191609 /nfs/dbraw/zinc/19/16/09/663191609.db2.gz JSOOISSVSONJBB-LBPRGKRZSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1)C1CCC1 ZINC000991742260 663191801 /nfs/dbraw/zinc/19/18/01/663191801.db2.gz MUIHODCCWVLZLH-WDEREUQCSA-N 1 1 312.370 -1.966 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000991740862 663192023 /nfs/dbraw/zinc/19/20/23/663192023.db2.gz XKOBOADBRDJYAN-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2ncn(C)n2)C1 ZINC000991752600 663193352 /nfs/dbraw/zinc/19/33/52/663193352.db2.gz HMPHLSFKHYVHPL-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000991761560 663194388 /nfs/dbraw/zinc/19/43/88/663194388.db2.gz IHEBSGVTZZCDFL-NSHDSACASA-N 1 1 305.338 -1.345 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000991761441 663194474 /nfs/dbraw/zinc/19/44/74/663194474.db2.gz HAEYCWWSEHWHAP-UHFFFAOYSA-N 1 1 304.314 -1.644 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000953680728 663194849 /nfs/dbraw/zinc/19/48/49/663194849.db2.gz PBSWJSYPHHLMGY-LLVKDONJSA-N 1 1 307.358 -1.564 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)O1 ZINC001030516242 663199669 /nfs/dbraw/zinc/19/96/69/663199669.db2.gz ZVMHAHCXHDQJNL-MWLCHTKSSA-N 1 1 309.374 -1.770 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)O1 ZINC001030516242 663199670 /nfs/dbraw/zinc/19/96/70/663199670.db2.gz ZVMHAHCXHDQJNL-MWLCHTKSSA-N 1 1 309.374 -1.770 20 0 DAADMO Cn1cnn(CC(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)c1=O ZINC001030574498 663201237 /nfs/dbraw/zinc/20/12/37/663201237.db2.gz DDHDBKXQWPJQLS-GFCCVEGCSA-N 1 1 309.370 -1.049 20 0 DAADMO Cn1cnn(CC(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)c1=O ZINC001030574500 663201370 /nfs/dbraw/zinc/20/13/70/663201370.db2.gz DDHDBKXQWPJQLS-LBPRGKRZSA-N 1 1 309.370 -1.049 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991875018 663203571 /nfs/dbraw/zinc/20/35/71/663203571.db2.gz MLBFREJHPFLGQR-LBPRGKRZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991878192 663204693 /nfs/dbraw/zinc/20/46/93/663204693.db2.gz ANDSFXQXDGEFRM-PHIMTYICSA-N 1 1 321.385 -1.127 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991878813 663205026 /nfs/dbraw/zinc/20/50/26/663205026.db2.gz JAKSWKZWDGQAPP-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)O1 ZINC000991878754 663205155 /nfs/dbraw/zinc/20/51/55/663205155.db2.gz ILUZKXOESATEGD-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)O1 ZINC000991878754 663205171 /nfs/dbraw/zinc/20/51/71/663205171.db2.gz ILUZKXOESATEGD-MWLCHTKSSA-N 1 1 323.357 -2.281 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000991878869 663205229 /nfs/dbraw/zinc/20/52/29/663205229.db2.gz DVNLJJONTWLMCZ-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000991879403 663205702 /nfs/dbraw/zinc/20/57/02/663205702.db2.gz KBELVUOXESHLAR-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991880309 663206371 /nfs/dbraw/zinc/20/63/71/663206371.db2.gz LUIWNNYZWHKFMN-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000938292848 663209439 /nfs/dbraw/zinc/20/94/39/663209439.db2.gz ISZVCKFCPAPGBI-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000991914672 663210691 /nfs/dbraw/zinc/21/06/91/663210691.db2.gz RBJZEUHXNHUGOP-SECBINFHSA-N 1 1 315.395 -1.690 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991949129 663213944 /nfs/dbraw/zinc/21/39/44/663213944.db2.gz NNOICWYZOFLDOF-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3cnnn3C)CC2)n1 ZINC000991982672 663215605 /nfs/dbraw/zinc/21/56/05/663215605.db2.gz NZLVZABRKRAFIK-UHFFFAOYSA-N 1 1 305.346 -1.267 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705675 663215660 /nfs/dbraw/zinc/21/56/60/663215660.db2.gz HIWUORKKEZTHBB-ULKWEWGCSA-N 1 1 322.409 -1.262 20 0 DAADMO CC[C@H](C(N)=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705251 663215796 /nfs/dbraw/zinc/21/57/96/663215796.db2.gz RSVBMQQCQPYTMV-UGQARLJISA-N 1 1 322.409 -1.086 20 0 DAADMO CNC(=O)[C@H](C)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705725 663216153 /nfs/dbraw/zinc/21/61/53/663216153.db2.gz IVWQRICKCHXJKL-VIHGGKNESA-N 1 1 322.409 -1.216 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCNC3=O)CCC[C@@H]12 ZINC000992072259 663218802 /nfs/dbraw/zinc/21/88/02/663218802.db2.gz ODOPXFHHAGELDH-FIXISWKDSA-N 1 1 308.382 -1.018 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953959284 663219094 /nfs/dbraw/zinc/21/90/94/663219094.db2.gz AXEWNBSSTVNQAP-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953959284 663219098 /nfs/dbraw/zinc/21/90/98/663219098.db2.gz AXEWNBSSTVNQAP-NEPJUHHUSA-N 1 1 324.381 -1.878 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@@H]12 ZINC000992106260 663220614 /nfs/dbraw/zinc/22/06/14/663220614.db2.gz FESACNIRQHUYGE-WOSRLPQWSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)CC[N@H+]1C ZINC000992086336 663220660 /nfs/dbraw/zinc/22/06/60/663220660.db2.gz AEJMLSCNYLNSFI-YUSALJHKSA-N 1 1 308.382 -1.068 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@]12CCC[C@@H]1[N@@H+](CCCO)CC2 ZINC000992111373 663221329 /nfs/dbraw/zinc/22/13/29/663221329.db2.gz XXCANXQDGNNKON-XJKSGUPXSA-N 1 1 324.425 -1.086 20 0 DAADMO Cn1nnc(C(=O)NC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000992119288 663221464 /nfs/dbraw/zinc/22/14/64/663221464.db2.gz IDNIMIBFKSCZLO-HSOILSAZSA-N 1 1 321.385 -1.214 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992115236 663221471 /nfs/dbraw/zinc/22/14/71/663221471.db2.gz BILPKYSIWWRBFV-TVQRCGJNSA-N 1 1 307.358 -1.317 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)c3nnn(C)n3)CCC[C@H]12 ZINC000992115236 663221472 /nfs/dbraw/zinc/22/14/72/663221472.db2.gz BILPKYSIWWRBFV-TVQRCGJNSA-N 1 1 307.358 -1.317 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)NC1=O ZINC000992131925 663221730 /nfs/dbraw/zinc/22/17/30/663221730.db2.gz NNYFSWHCIAUQGL-BFVZDQMLSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)NC1=O ZINC000992131925 663221734 /nfs/dbraw/zinc/22/17/34/663221734.db2.gz NNYFSWHCIAUQGL-BFVZDQMLSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C(=O)N3)CCC[C@H]12 ZINC000992125697 663221947 /nfs/dbraw/zinc/22/19/47/663221947.db2.gz DLZDFQGLAJTPGO-JRPNMDOOSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)NC1=O ZINC001030792795 663223329 /nfs/dbraw/zinc/22/33/29/663223329.db2.gz AVYYTKHMNMEHIG-JQWIXIFHSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@H]12 ZINC000992146519 663223419 /nfs/dbraw/zinc/22/34/19/663223419.db2.gz KXRHIMAIWCZZPS-IINYFYTJSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@H]12 ZINC000992146519 663223424 /nfs/dbraw/zinc/22/34/24/663223424.db2.gz KXRHIMAIWCZZPS-IINYFYTJSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCN1C(=O)CCC1=O)CC2 ZINC000992170397 663225038 /nfs/dbraw/zinc/22/50/38/663225038.db2.gz MSFVKYKOSHFODY-BONVTDFDSA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992172298 663225461 /nfs/dbraw/zinc/22/54/61/663225461.db2.gz OIELBEVWAZMCJB-SQYUCLKFSA-N 1 1 324.381 -1.382 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 ZINC000992172298 663225464 /nfs/dbraw/zinc/22/54/64/663225464.db2.gz OIELBEVWAZMCJB-SQYUCLKFSA-N 1 1 324.381 -1.382 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030838104 663226517 /nfs/dbraw/zinc/22/65/17/663226517.db2.gz ZXVQRPJGCIAZDH-LBPRGKRZSA-N 1 1 323.401 -1.380 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030838104 663226521 /nfs/dbraw/zinc/22/65/21/663226521.db2.gz ZXVQRPJGCIAZDH-LBPRGKRZSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)O1 ZINC000992210283 663226600 /nfs/dbraw/zinc/22/66/00/663226600.db2.gz IDBLRFZTOOQIBB-AGVGLQIMSA-N 1 1 312.370 -1.798 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)O1 ZINC000992210283 663226606 /nfs/dbraw/zinc/22/66/06/663226606.db2.gz IDBLRFZTOOQIBB-AGVGLQIMSA-N 1 1 312.370 -1.798 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001030839574 663226764 /nfs/dbraw/zinc/22/67/64/663226764.db2.gz NWYHPHNHHSIUCT-CHWSQXEVSA-N 1 1 310.398 -1.216 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001030839574 663226765 /nfs/dbraw/zinc/22/67/65/663226765.db2.gz NWYHPHNHHSIUCT-CHWSQXEVSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)CC[N@H+]1C ZINC000992310428 663231606 /nfs/dbraw/zinc/23/16/06/663231606.db2.gz PLEYACNNIYOOAT-JLLWLGSASA-N 1 1 323.397 -1.323 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137263 663232940 /nfs/dbraw/zinc/23/29/40/663232940.db2.gz LMFCMTOXYPRVET-IUCAKERBSA-N 1 1 309.326 -1.987 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137263 663232941 /nfs/dbraw/zinc/23/29/41/663232941.db2.gz LMFCMTOXYPRVET-IUCAKERBSA-N 1 1 309.326 -1.987 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913684474 663235606 /nfs/dbraw/zinc/23/56/06/663235606.db2.gz XJADUHJKEGHENS-DOMZBBRYSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913684474 663235608 /nfs/dbraw/zinc/23/56/08/663235608.db2.gz XJADUHJKEGHENS-DOMZBBRYSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913684475 663235810 /nfs/dbraw/zinc/23/58/10/663235810.db2.gz XJADUHJKEGHENS-IUODEOHRSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913684475 663235817 /nfs/dbraw/zinc/23/58/17/663235817.db2.gz XJADUHJKEGHENS-IUODEOHRSA-N 1 1 312.414 -1.326 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 ZINC000992466669 663236147 /nfs/dbraw/zinc/23/61/47/663236147.db2.gz SAOUMERULBHYBA-BMIGLBTASA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@@H]12 ZINC000992466669 663236149 /nfs/dbraw/zinc/23/61/49/663236149.db2.gz SAOUMERULBHYBA-BMIGLBTASA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992471375 663236260 /nfs/dbraw/zinc/23/62/60/663236260.db2.gz GYFAJUHPVLHOJW-YMTOWFKASA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992471375 663236263 /nfs/dbraw/zinc/23/62/63/663236263.db2.gz GYFAJUHPVLHOJW-YMTOWFKASA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992471361 663236328 /nfs/dbraw/zinc/23/63/28/663236328.db2.gz GYFAJUHPVLHOJW-OTYXRUKQSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@@H]12 ZINC000992471361 663236331 /nfs/dbraw/zinc/23/63/31/663236331.db2.gz GYFAJUHPVLHOJW-OTYXRUKQSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 ZINC000992466671 663236469 /nfs/dbraw/zinc/23/64/69/663236469.db2.gz SAOUMERULBHYBA-BONVTDFDSA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 ZINC000992466671 663236472 /nfs/dbraw/zinc/23/64/72/663236472.db2.gz SAOUMERULBHYBA-BONVTDFDSA-N 1 1 322.365 -1.266 20 0 DAADMO Cc1nn(CC(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)c(=O)n1C ZINC000992462706 663236547 /nfs/dbraw/zinc/23/65/47/663236547.db2.gz ZVIHKXHENOZKQT-DOMZBBRYSA-N 1 1 323.397 -1.004 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007116217 663237278 /nfs/dbraw/zinc/23/72/78/663237278.db2.gz HXGUITYWWRCYGE-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007116217 663237282 /nfs/dbraw/zinc/23/72/82/663237282.db2.gz HXGUITYWWRCYGE-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H]1CCS(=O)(=O)N1 ZINC000992503135 663237720 /nfs/dbraw/zinc/23/77/20/663237720.db2.gz UCAIPYYDWVPCMA-WZRBSPASSA-N 1 1 317.411 -1.216 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)nn1 ZINC000992525262 663237753 /nfs/dbraw/zinc/23/77/53/663237753.db2.gz KNEGNAARJMUXSG-FZMZJTMJSA-N 1 1 322.369 -1.518 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030964870 663239281 /nfs/dbraw/zinc/23/92/81/663239281.db2.gz XEWBVNRBWIHCAL-ZYHUDNBSSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030964869 663239334 /nfs/dbraw/zinc/23/93/34/663239334.db2.gz XEWBVNRBWIHCAL-PWSUYJOCSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001030964868 663239517 /nfs/dbraw/zinc/23/95/17/663239517.db2.gz XEWBVNRBWIHCAL-JQWIXIFHSA-N 1 1 323.397 -1.464 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001030969022 663239615 /nfs/dbraw/zinc/23/96/15/663239615.db2.gz MPNYVGDPUSGFFD-JLLWLGSASA-N 1 1 308.382 -1.176 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000992583884 663239855 /nfs/dbraw/zinc/23/98/55/663239855.db2.gz UWZHFNIWIVRIEA-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000992583884 663239861 /nfs/dbraw/zinc/23/98/61/663239861.db2.gz UWZHFNIWIVRIEA-NEPJUHHUSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000992583890 663239882 /nfs/dbraw/zinc/23/98/82/663239882.db2.gz UYBQAHNCFFLPFI-LLVKDONJSA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000992583890 663239883 /nfs/dbraw/zinc/23/98/83/663239883.db2.gz UYBQAHNCFFLPFI-LLVKDONJSA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000992602285 663241250 /nfs/dbraw/zinc/24/12/50/663241250.db2.gz XEHAZAMFGPBTQW-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000992602285 663241254 /nfs/dbraw/zinc/24/12/54/663241254.db2.gz XEHAZAMFGPBTQW-NSHDSACASA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+](CCO)C1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000914072849 663241463 /nfs/dbraw/zinc/24/14/63/663241463.db2.gz ZESMNWYZWWKIED-VXGBXAGGSA-N 1 1 308.400 -1.536 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)CC(N)=O)C[C@@H]32)n1 ZINC000992640220 663241744 /nfs/dbraw/zinc/24/17/44/663241744.db2.gz QGVALSPBSNJFPJ-GARJFASQSA-N 1 1 321.385 -1.198 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)n1 ZINC000992640224 663241887 /nfs/dbraw/zinc/24/18/87/663241887.db2.gz QGVALSPBSNJFPJ-HBNTYKKESA-N 1 1 321.385 -1.198 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000992612396 663242112 /nfs/dbraw/zinc/24/21/12/663242112.db2.gz ZFTJDZJERPGCDG-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3nccn3)C2)C1 ZINC000992612396 663242115 /nfs/dbraw/zinc/24/21/15/663242115.db2.gz ZFTJDZJERPGCDG-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)n1 ZINC000992640225 663242248 /nfs/dbraw/zinc/24/22/48/663242248.db2.gz QGVALSPBSNJFPJ-OUAUKWLOSA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@@H+](CCCO)C1CCN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC1 ZINC000914161685 663242257 /nfs/dbraw/zinc/24/22/57/663242257.db2.gz DKXBYUACRGWWPX-CHWSQXEVSA-N 1 1 322.427 -1.146 20 0 DAADMO CC[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@@H+]1C[C@@H](C)O ZINC000914196772 663243756 /nfs/dbraw/zinc/24/37/56/663243756.db2.gz FRSWSELTNDBSLT-YVECIDJPSA-N 1 1 322.427 -1.147 20 0 DAADMO CC[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CC[N@H+]1C[C@@H](C)O ZINC000914196772 663243759 /nfs/dbraw/zinc/24/37/59/663243759.db2.gz FRSWSELTNDBSLT-YVECIDJPSA-N 1 1 322.427 -1.147 20 0 DAADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914409155 663245016 /nfs/dbraw/zinc/24/50/16/663245016.db2.gz GXIDRVCLBHMXMV-IJLUTSLNSA-N 1 1 322.427 -1.147 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914409155 663245019 /nfs/dbraw/zinc/24/50/19/663245019.db2.gz GXIDRVCLBHMXMV-IJLUTSLNSA-N 1 1 322.427 -1.147 20 0 DAADMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000914393755 663245263 /nfs/dbraw/zinc/24/52/63/663245263.db2.gz ONASFEAKABFVTN-GHMZBOCLSA-N 1 1 317.415 -1.376 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1)OC ZINC001031042813 663245340 /nfs/dbraw/zinc/24/53/40/663245340.db2.gz ZXMDJKGEFBLDSA-NSHDSACASA-N 1 1 324.381 -1.077 20 0 DAADMO NC(=O)[C@H]1COCCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914317677 663245402 /nfs/dbraw/zinc/24/54/02/663245402.db2.gz FMXGEBDPXINVSZ-YPMHNXCESA-N 1 1 317.411 -1.012 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015459587 663246931 /nfs/dbraw/zinc/24/69/31/663246931.db2.gz LJXHORCGBCSGIS-LLVKDONJSA-N 1 1 305.338 -1.321 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCn1cncn1 ZINC000993010568 663247338 /nfs/dbraw/zinc/24/73/38/663247338.db2.gz GORUDMZYQSIZJI-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N1CCC1 ZINC000993011168 663247622 /nfs/dbraw/zinc/24/76/22/663247622.db2.gz HETJWPCQFMWSIC-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N1CCC1 ZINC000993011168 663247623 /nfs/dbraw/zinc/24/76/23/663247623.db2.gz HETJWPCQFMWSIC-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993020713 663248135 /nfs/dbraw/zinc/24/81/35/663248135.db2.gz YTOQFHPGKAWIOT-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993020713 663248137 /nfs/dbraw/zinc/24/81/37/663248137.db2.gz YTOQFHPGKAWIOT-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993020729 663248686 /nfs/dbraw/zinc/24/86/86/663248686.db2.gz YTOQFHPGKAWIOT-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993020729 663248691 /nfs/dbraw/zinc/24/86/91/663248691.db2.gz YTOQFHPGKAWIOT-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993020737 663248831 /nfs/dbraw/zinc/24/88/31/663248831.db2.gz YTOQFHPGKAWIOT-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993020737 663248835 /nfs/dbraw/zinc/24/88/35/663248835.db2.gz YTOQFHPGKAWIOT-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015508515 663250122 /nfs/dbraw/zinc/25/01/22/663250122.db2.gz ILDSJSIIKIMVSY-LBPRGKRZSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015508515 663250127 /nfs/dbraw/zinc/25/01/27/663250127.db2.gz ILDSJSIIKIMVSY-LBPRGKRZSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001015511658 663250138 /nfs/dbraw/zinc/25/01/38/663250138.db2.gz WZQFFEKXMSFFJY-QWHCGFSZSA-N 1 1 310.398 -1.355 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001015555496 663252933 /nfs/dbraw/zinc/25/29/33/663252933.db2.gz VRVMMNWSUMUJIU-VIFPVBQESA-N 1 1 308.346 -1.961 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001015555496 663252935 /nfs/dbraw/zinc/25/29/35/663252935.db2.gz VRVMMNWSUMUJIU-VIFPVBQESA-N 1 1 308.346 -1.961 20 0 DAADMO O=C1NC[C@@H]2C[N@H+](C[C@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845881 663252956 /nfs/dbraw/zinc/25/29/56/663252956.db2.gz YSJFGBPVYOOQRT-VXGBXAGGSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845881 663252957 /nfs/dbraw/zinc/25/29/57/663252957.db2.gz YSJFGBPVYOOQRT-VXGBXAGGSA-N 1 1 311.382 -1.315 20 0 DAADMO COC(=O)CN(CC(=O)OC)C(=O)CC[NH+]1CCOCC1 ZINC000731476309 663254333 /nfs/dbraw/zinc/25/43/33/663254333.db2.gz XWYYYRRFOPMSTJ-UHFFFAOYSA-N 1 1 302.327 -1.117 20 0 DAADMO Cc1nn(CCS(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c(=O)o1 ZINC000915052897 663254725 /nfs/dbraw/zinc/25/47/25/663254725.db2.gz FGMSXNYFZPAUGV-PHIMTYICSA-N 1 1 316.383 -1.032 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC000993204959 663255809 /nfs/dbraw/zinc/25/58/09/663255809.db2.gz RPVCBQDAHMYBIQ-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)[C@H]1C ZINC000993204959 663255812 /nfs/dbraw/zinc/25/58/12/663255812.db2.gz RPVCBQDAHMYBIQ-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CCOC(=O)NCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000915260866 663255895 /nfs/dbraw/zinc/25/58/95/663255895.db2.gz HFQBQXDHQFSLAN-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO NS(=O)(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000732068975 663256575 /nfs/dbraw/zinc/25/65/75/663256575.db2.gz QJUCWTXHWPNRCM-UHFFFAOYSA-N 1 1 306.388 -1.944 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000915352723 663256787 /nfs/dbraw/zinc/25/67/87/663256787.db2.gz PSTQDKQAGPQIRK-UHFFFAOYSA-N 1 1 320.415 -1.731 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732248480 663256987 /nfs/dbraw/zinc/25/69/87/663256987.db2.gz YKQFSSGUKXZVSZ-NSHDSACASA-N 1 1 321.447 -1.529 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634533 663257810 /nfs/dbraw/zinc/25/78/10/663257810.db2.gz MEBSWULYZXJROD-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001015634533 663257814 /nfs/dbraw/zinc/25/78/14/663257814.db2.gz MEBSWULYZXJROD-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015638654 663258213 /nfs/dbraw/zinc/25/82/13/663258213.db2.gz ZRMSKMBQLJUDJZ-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000915697489 663260165 /nfs/dbraw/zinc/26/01/65/663260165.db2.gz VIOWARPNIMLOBT-CHWSQXEVSA-N 1 1 323.459 -1.109 20 0 DAADMO CN(CCCN(C)S(=O)(=O)[C@@H]1COC[C@H]1O)CC[NH+](C)C ZINC000915697489 663260171 /nfs/dbraw/zinc/26/01/71/663260171.db2.gz VIOWARPNIMLOBT-CHWSQXEVSA-N 1 1 323.459 -1.109 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993337831 663260611 /nfs/dbraw/zinc/26/06/11/663260611.db2.gz OASCVJRBCAOJKO-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993337769 663260979 /nfs/dbraw/zinc/26/09/79/663260979.db2.gz BNSUJGVZWDZPLA-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993337769 663260981 /nfs/dbraw/zinc/26/09/81/663260981.db2.gz BNSUJGVZWDZPLA-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993337752 663261197 /nfs/dbraw/zinc/26/11/97/663261197.db2.gz BNSUJGVZWDZPLA-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993337752 663261198 /nfs/dbraw/zinc/26/11/98/663261198.db2.gz BNSUJGVZWDZPLA-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCCO ZINC000993336118 663261910 /nfs/dbraw/zinc/26/19/10/663261910.db2.gz LPIMALFBSBVFDZ-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO Cn1[nH]c(CN2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001031252497 663262100 /nfs/dbraw/zinc/26/21/00/663262100.db2.gz HLCQSGANUIPJFD-JTQLQIEISA-N 1 1 308.386 -1.249 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993419088 663263755 /nfs/dbraw/zinc/26/37/55/663263755.db2.gz UHLGWKTYBGGDMV-VXGBXAGGSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CC(N)=O ZINC000993417926 663263888 /nfs/dbraw/zinc/26/38/88/663263888.db2.gz DNNBMHXTXGZSKK-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@H+]1CC(N)=O ZINC000993417926 663263894 /nfs/dbraw/zinc/26/38/94/663263894.db2.gz DNNBMHXTXGZSKK-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001031257969 663264005 /nfs/dbraw/zinc/26/40/05/663264005.db2.gz CCBIYSYYSDQEJP-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1CCC(=O)N1 ZINC001031281372 663264744 /nfs/dbraw/zinc/26/47/44/663264744.db2.gz LAUNWZHQQXVELL-JQWIXIFHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCC[N@H+]1CCO ZINC000993519564 663266267 /nfs/dbraw/zinc/26/62/67/663266267.db2.gz KDBDZNKLZWJPSY-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000993567671 663267531 /nfs/dbraw/zinc/26/75/31/663267531.db2.gz LLPQYQHEEGEPCU-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000993567671 663267533 /nfs/dbraw/zinc/26/75/33/663267533.db2.gz LLPQYQHEEGEPCU-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CCCO ZINC000993698305 663268537 /nfs/dbraw/zinc/26/85/37/663268537.db2.gz HCPGNRRQXPVOES-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@@H+]1CC(N)=O ZINC000993700135 663268550 /nfs/dbraw/zinc/26/85/50/663268550.db2.gz LILFTYKSFDUSQD-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCC[N@H+]1CC(N)=O ZINC000993700135 663268555 /nfs/dbraw/zinc/26/85/55/663268555.db2.gz LILFTYKSFDUSQD-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000993724521 663268576 /nfs/dbraw/zinc/26/85/76/663268576.db2.gz ALUWRPFYRNBUCM-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000993724521 663268581 /nfs/dbraw/zinc/26/85/81/663268581.db2.gz ALUWRPFYRNBUCM-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000993805583 663271220 /nfs/dbraw/zinc/27/12/20/663271220.db2.gz HBRVSILKIKMFNE-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000993961952 663272388 /nfs/dbraw/zinc/27/23/88/663272388.db2.gz VIPNVFZXSJHZEI-SNVBAGLBSA-N 1 1 305.338 -1.037 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCNC3=O)C2)C1 ZINC000994012438 663274307 /nfs/dbraw/zinc/27/43/07/663274307.db2.gz RIIMVXRBZBIRMF-PWSUYJOCSA-N 1 1 308.382 -1.209 20 0 DAADMO O=S(=O)(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@@H]1COC[C@H]1O ZINC000916574975 663281127 /nfs/dbraw/zinc/28/11/27/663281127.db2.gz CZRPMHKFMUXAPU-UJPOAAIJSA-N 1 1 320.411 -1.347 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n(C)c1=O ZINC000994289736 663282060 /nfs/dbraw/zinc/28/20/60/663282060.db2.gz QHAORCMAMDBZGR-NSHDSACASA-N 1 1 321.381 -1.241 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)c(=O)n1C ZINC000994299133 663282088 /nfs/dbraw/zinc/28/20/88/663282088.db2.gz TTYKPKDQEFVUBN-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)c(=O)n1C ZINC000994299133 663282091 /nfs/dbraw/zinc/28/20/91/663282091.db2.gz TTYKPKDQEFVUBN-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007160153 663282201 /nfs/dbraw/zinc/28/22/01/663282201.db2.gz HSXUNZPVGKQARI-UWVGGRQHSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007160153 663282207 /nfs/dbraw/zinc/28/22/07/663282207.db2.gz HSXUNZPVGKQARI-UWVGGRQHSA-N 1 1 308.342 -1.547 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CCO)[C@@H]2C)c(=O)n1C ZINC000994328742 663282690 /nfs/dbraw/zinc/28/26/90/663282690.db2.gz MOKKWJFMUJOKKU-PWSUYJOCSA-N 1 1 311.386 -1.148 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CCCO ZINC000994369483 663282965 /nfs/dbraw/zinc/28/29/65/663282965.db2.gz YQQJQGZWSMZCMW-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CCC[N@H+]1CCO ZINC000994366458 663283397 /nfs/dbraw/zinc/28/33/97/663283397.db2.gz RFTHBWQLUSYUNK-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@@H+]1CC(N)=O ZINC000994370991 663283542 /nfs/dbraw/zinc/28/35/42/663283542.db2.gz FVSDHZKXDHZICH-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CCC2=O)CCC[N@H+]1CC(N)=O ZINC000994370991 663283549 /nfs/dbraw/zinc/28/35/49/663283549.db2.gz FVSDHZKXDHZICH-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160863 663283620 /nfs/dbraw/zinc/28/36/20/663283620.db2.gz KQVHDPLGJROKIG-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007160863 663283622 /nfs/dbraw/zinc/28/36/22/663283622.db2.gz KQVHDPLGJROKIG-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnc[nH]c3=O)C2)C1 ZINC000994430212 663284638 /nfs/dbraw/zinc/28/46/38/663284638.db2.gz VTUCAIPDFGYFQW-LLVKDONJSA-N 1 1 321.337 -1.547 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917061689 663286129 /nfs/dbraw/zinc/28/61/29/663286129.db2.gz OSDUOFFDYLQKEY-VXGBXAGGSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917061689 663286131 /nfs/dbraw/zinc/28/61/31/663286131.db2.gz OSDUOFFDYLQKEY-VXGBXAGGSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCCO ZINC000994454975 663286212 /nfs/dbraw/zinc/28/62/12/663286212.db2.gz AFQKNAQBLBKCMP-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000917066764 663286256 /nfs/dbraw/zinc/28/62/56/663286256.db2.gz PMTKDGKXDYVMSX-QJPTWQEYSA-N 1 1 305.400 -1.945 20 0 DAADMO O=S(=O)(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000917066764 663286261 /nfs/dbraw/zinc/28/62/61/663286261.db2.gz PMTKDGKXDYVMSX-QJPTWQEYSA-N 1 1 305.400 -1.945 20 0 DAADMO COC[C@@H](CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)OC ZINC000917067219 663286537 /nfs/dbraw/zinc/28/65/37/663286537.db2.gz ZROSDTUHSLFJQY-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO COC[C@@H](CS(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)OC ZINC000917067219 663286538 /nfs/dbraw/zinc/28/65/38/663286538.db2.gz ZROSDTUHSLFJQY-OLZOCXBDSA-N 1 1 321.443 -1.043 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC000994490595 663287370 /nfs/dbraw/zinc/28/73/70/663287370.db2.gz VZPOTBUPRWXGIN-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001007162373 663288041 /nfs/dbraw/zinc/28/80/41/663288041.db2.gz RMMQDQKJMHJJNE-MNOVXSKESA-N 1 1 322.369 -1.157 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001007162373 663288042 /nfs/dbraw/zinc/28/80/42/663288042.db2.gz RMMQDQKJMHJJNE-MNOVXSKESA-N 1 1 322.369 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001031385331 663288991 /nfs/dbraw/zinc/28/89/91/663288991.db2.gz AVEPWGFHKGQDFW-NSHDSACASA-N 1 1 323.397 -2.303 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001031385330 663289362 /nfs/dbraw/zinc/28/93/62/663289362.db2.gz AVEPWGFHKGQDFW-LLVKDONJSA-N 1 1 323.397 -2.303 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1)OC ZINC001031403040 663290444 /nfs/dbraw/zinc/29/04/44/663290444.db2.gz VRUYTIFUWCAJPC-GHMZBOCLSA-N 1 1 305.400 -1.097 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402652 663290544 /nfs/dbraw/zinc/29/05/44/663290544.db2.gz LZQXEHPAOWIBNW-MWLCHTKSSA-N 1 1 303.384 -1.485 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)C1 ZINC001031417805 663291962 /nfs/dbraw/zinc/29/19/62/663291962.db2.gz BPFIXAMHXMZQHZ-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cn(C)nn3)C2)C1 ZINC001031417805 663291967 /nfs/dbraw/zinc/29/19/67/663291967.db2.gz BPFIXAMHXMZQHZ-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3cnnn3C)C2)C1 ZINC001031419006 663292819 /nfs/dbraw/zinc/29/28/19/663292819.db2.gz QXYAPIJOOBKSEA-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3cnnn3C)C2)C1 ZINC001031419006 663292824 /nfs/dbraw/zinc/29/28/24/663292824.db2.gz QXYAPIJOOBKSEA-ZDUSSCGKSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001031419366 663292930 /nfs/dbraw/zinc/29/29/30/663292930.db2.gz YOMGQYBDMUUSLU-NSHDSACASA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001031419366 663292935 /nfs/dbraw/zinc/29/29/35/663292935.db2.gz YOMGQYBDMUUSLU-NSHDSACASA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H](C)c3nnnn3C)C2)C1 ZINC001031419418 663292950 /nfs/dbraw/zinc/29/29/50/663292950.db2.gz ZXECQYKIISZWRR-ZYHUDNBSSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H](C)c3nnnn3C)C2)C1 ZINC001031419418 663292955 /nfs/dbraw/zinc/29/29/55/663292955.db2.gz ZXECQYKIISZWRR-ZYHUDNBSSA-N 1 1 323.401 -1.208 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001031420813 663293040 /nfs/dbraw/zinc/29/30/40/663293040.db2.gz SUVNSNFRWAQIJZ-LLVKDONJSA-N 1 1 324.385 -1.871 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001031420813 663293041 /nfs/dbraw/zinc/29/30/41/663293041.db2.gz SUVNSNFRWAQIJZ-LLVKDONJSA-N 1 1 324.385 -1.871 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nncn3C)C2)C1 ZINC001031419427 663293047 /nfs/dbraw/zinc/29/30/47/663293047.db2.gz CFQQIVZHLFWKDT-LBPRGKRZSA-N 1 1 308.386 -1.164 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nncn3C)C2)C1 ZINC001031419427 663293048 /nfs/dbraw/zinc/29/30/48/663293048.db2.gz CFQQIVZHLFWKDT-LBPRGKRZSA-N 1 1 308.386 -1.164 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)nn1 ZINC001031438595 663293570 /nfs/dbraw/zinc/29/35/70/663293570.db2.gz LQPQHCVPYXWCEU-JTQLQIEISA-N 1 1 322.369 -1.396 20 0 DAADMO C[N@@H+](CCNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000918171823 663294826 /nfs/dbraw/zinc/29/48/26/663294826.db2.gz ZRSFSLZSDXPVSX-NSHDSACASA-N 1 1 317.415 -1.376 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001031537517 663297515 /nfs/dbraw/zinc/29/75/15/663297515.db2.gz UMKPPPAYSAXGDA-GFCCVEGCSA-N 1 1 318.333 -1.213 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1COCCO1 ZINC001031556657 663299330 /nfs/dbraw/zinc/29/93/30/663299330.db2.gz BDDQDBFRSFBKQO-GHMZBOCLSA-N 1 1 311.338 -1.745 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1COCCO1 ZINC001031556660 663299527 /nfs/dbraw/zinc/29/95/27/663299527.db2.gz BDDQDBFRSFBKQO-WDEREUQCSA-N 1 1 311.338 -1.745 20 0 DAADMO Cn1nccc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031576735 663300020 /nfs/dbraw/zinc/30/00/20/663300020.db2.gz JSYAGYXHRUKPLS-NSHDSACASA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1nccc1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031570568 663300237 /nfs/dbraw/zinc/30/02/37/663300237.db2.gz TWIQACRFADFYJE-UHFFFAOYSA-N 1 1 320.353 -1.367 20 0 DAADMO O=S(=O)([C@@H]1COC[C@H]1O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000919270156 663300462 /nfs/dbraw/zinc/30/04/62/663300462.db2.gz SOIYLILWNAPPJN-IRCOFANPSA-N 1 1 306.384 -1.783 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCN2C(=O)CNC2=O)C1 ZINC001031584984 663300794 /nfs/dbraw/zinc/30/07/94/663300794.db2.gz NPSFXOWUPPAWIR-GFCCVEGCSA-N 1 1 323.397 -1.320 20 0 DAADMO Nc1nccnc1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031589784 663300832 /nfs/dbraw/zinc/30/08/32/663300832.db2.gz JMMHFKZKOKANQA-UHFFFAOYSA-N 1 1 319.369 -1.254 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1)N1CCCC1 ZINC001031582244 663300955 /nfs/dbraw/zinc/30/09/55/663300955.db2.gz JCLMAEGNNFIJQE-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO Nc1nccnc1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031589231 663301146 /nfs/dbraw/zinc/30/11/46/663301146.db2.gz MJLVPLFWNPVHLL-SNVBAGLBSA-N 1 1 304.354 -1.001 20 0 DAADMO Cc1c(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)nnn1C ZINC001031592995 663301174 /nfs/dbraw/zinc/30/11/74/663301174.db2.gz KKBGITGCJDEIOV-UHFFFAOYSA-N 1 1 321.385 -1.190 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3nccnc3N)C2)C1=O ZINC001031589948 663301240 /nfs/dbraw/zinc/30/12/40/663301240.db2.gz OZDIMYAFACOUBZ-SNVBAGLBSA-N 1 1 304.354 -1.049 20 0 DAADMO Cn1ncc(CN2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001031595569 663301474 /nfs/dbraw/zinc/30/14/74/663301474.db2.gz ZDBWOOLQWZNAPQ-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1ncc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001031595569 663301477 /nfs/dbraw/zinc/30/14/77/663301477.db2.gz ZDBWOOLQWZNAPQ-CYBMUJFWSA-N 1 1 308.386 -1.306 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)C1 ZINC001031597247 663301575 /nfs/dbraw/zinc/30/15/75/663301575.db2.gz XRTYPIYLKVUDFV-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595264 663301848 /nfs/dbraw/zinc/30/18/48/663301848.db2.gz SKOHDWXLVKGSMR-STQMWFEESA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596707 663301588 /nfs/dbraw/zinc/30/15/88/663301588.db2.gz NQFWOGVNMAVFDG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001031596707 663301591 /nfs/dbraw/zinc/30/15/91/663301591.db2.gz NQFWOGVNMAVFDG-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)CCO3)C2)C1=O ZINC001031595937 663301740 /nfs/dbraw/zinc/30/17/40/663301740.db2.gz CSUUJOQYIRRJLD-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)c1ncc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)n1C ZINC000930086144 663301769 /nfs/dbraw/zinc/30/17/69/663301769.db2.gz NYIYTCNEISJPJH-JTQLQIEISA-N 1 1 308.386 -1.077 20 0 DAADMO CN(C)c1ncc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)n1C ZINC000930086144 663301772 /nfs/dbraw/zinc/30/17/72/663301772.db2.gz NYIYTCNEISJPJH-JTQLQIEISA-N 1 1 308.386 -1.077 20 0 DAADMO Cn1ncnc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595141 663301960 /nfs/dbraw/zinc/30/19/60/663301960.db2.gz RTUFZYLYDIBKIP-GFCCVEGCSA-N 1 1 308.386 -1.306 20 0 DAADMO Cn1ncnc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595141 663301962 /nfs/dbraw/zinc/30/19/62/663301962.db2.gz RTUFZYLYDIBKIP-GFCCVEGCSA-N 1 1 308.386 -1.306 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)C1=O ZINC001031611229 663302560 /nfs/dbraw/zinc/30/25/60/663302560.db2.gz FQAVUNUBNDTKIN-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCNC(=O)C1 ZINC001031613848 663302709 /nfs/dbraw/zinc/30/27/09/663302709.db2.gz RXRBPMJPTDBKMD-MNOVXSKESA-N 1 1 322.365 -1.634 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001031621676 663303152 /nfs/dbraw/zinc/30/31/52/663303152.db2.gz MCRFCKQABXUSJI-OLZOCXBDSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3COCCN3C)C2)C1=O ZINC001031622355 663303172 /nfs/dbraw/zinc/30/31/72/663303172.db2.gz ZQRCKHHHHVUIPT-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031622319 663303261 /nfs/dbraw/zinc/30/32/61/663303261.db2.gz YVGMHAXUDZMOAF-VXGBXAGGSA-N 1 1 324.381 -1.830 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919982821 663303762 /nfs/dbraw/zinc/30/37/62/663303762.db2.gz WLWOPXFWIXCHHA-QNWHQSFQSA-N 1 1 321.443 -1.046 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919982821 663303765 /nfs/dbraw/zinc/30/37/65/663303765.db2.gz WLWOPXFWIXCHHA-QNWHQSFQSA-N 1 1 321.443 -1.046 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC001031636615 663304149 /nfs/dbraw/zinc/30/41/49/663304149.db2.gz ILGCYBHPBLUUQQ-CYBMUJFWSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1oc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001031637058 663304388 /nfs/dbraw/zinc/30/43/88/663304388.db2.gz SDNAYJZKZQYJKP-SNVBAGLBSA-N 1 1 308.338 -1.082 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031643634 663304418 /nfs/dbraw/zinc/30/44/18/663304418.db2.gz XOCVIONGMRQNTL-LDYMZIIASA-N 1 1 310.354 -1.190 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1COC(=O)N1 ZINC001031646420 663304448 /nfs/dbraw/zinc/30/44/48/663304448.db2.gz CARSIBBRKXSBOP-BDAKNGLRSA-N 1 1 310.310 -2.052 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001031643051 663304494 /nfs/dbraw/zinc/30/44/94/663304494.db2.gz IVJKBOXZNFLPSH-NSHDSACASA-N 1 1 310.354 -1.236 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2COC(=O)N2)C1)C1CC1 ZINC001031643050 663304718 /nfs/dbraw/zinc/30/47/18/663304718.db2.gz IVJKBOXZNFLPSH-LLVKDONJSA-N 1 1 310.354 -1.236 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1=O ZINC001031643244 663304972 /nfs/dbraw/zinc/30/49/72/663304972.db2.gz NPWFBOOCJBYWKS-QWRGUYRKSA-N 1 1 310.354 -1.236 20 0 DAADMO CCn1nccc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534674 663305211 /nfs/dbraw/zinc/30/52/11/663305211.db2.gz GPFNUIXWLYUBDM-UHFFFAOYSA-N 1 1 315.399 -1.045 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)nn1 ZINC001031651138 663305711 /nfs/dbraw/zinc/30/57/11/663305711.db2.gz KPEZFEGTHVOAEG-UHFFFAOYSA-N 1 1 307.358 -1.498 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920526034 663306380 /nfs/dbraw/zinc/30/63/80/663306380.db2.gz BCHJLTHRKJCMHW-WDEREUQCSA-N 1 1 321.399 -1.906 20 0 DAADMO CN(CC1CC1)S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534073 663306765 /nfs/dbraw/zinc/30/67/65/663306765.db2.gz CFVXVJKPFPHBBN-UHFFFAOYSA-N 1 1 304.416 -1.063 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC000948069177 663306928 /nfs/dbraw/zinc/30/69/28/663306928.db2.gz CZRRGKUFLOCBEZ-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001038585193 663307037 /nfs/dbraw/zinc/30/70/37/663307037.db2.gz ABOWSPZCGZCWIO-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001038585193 663307040 /nfs/dbraw/zinc/30/70/40/663307040.db2.gz ABOWSPZCGZCWIO-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@]12C[C@H]1COC2 ZINC001031687931 663307118 /nfs/dbraw/zinc/30/71/18/663307118.db2.gz RHCHKSRMBJXYLC-PGUXBMHVSA-N 1 1 307.350 -1.124 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCO ZINC000948069179 663307120 /nfs/dbraw/zinc/30/71/20/663307120.db2.gz CZRRGKUFLOCBEZ-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)NC1=O ZINC001038586642 663309788 /nfs/dbraw/zinc/30/97/88/663309788.db2.gz LHMMMQSFCSEMTO-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)NC1=O ZINC001038586642 663309791 /nfs/dbraw/zinc/30/97/91/663309791.db2.gz LHMMMQSFCSEMTO-MNOVXSKESA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)NC1=O ZINC001038586643 663309992 /nfs/dbraw/zinc/30/99/92/663309992.db2.gz LHMMMQSFCSEMTO-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)NC1=O ZINC001038586643 663309996 /nfs/dbraw/zinc/30/99/96/663309996.db2.gz LHMMMQSFCSEMTO-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[C@@H]1C ZINC000948070058 663310551 /nfs/dbraw/zinc/31/05/51/663310551.db2.gz MHWCDTWZDZULLV-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)CC1=O ZINC001031711809 663311556 /nfs/dbraw/zinc/31/15/56/663311556.db2.gz LHQIEZAAYFDWCH-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031712561 663311588 /nfs/dbraw/zinc/31/15/88/663311588.db2.gz CJJWLKFRASAMFE-PWSUYJOCSA-N 1 1 310.398 -1.011 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)C1=O ZINC001031712918 663311638 /nfs/dbraw/zinc/31/16/38/663311638.db2.gz LABDPXVCNGPPQG-VXGBXAGGSA-N 1 1 308.382 -1.257 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842713 663312603 /nfs/dbraw/zinc/31/26/03/663312603.db2.gz PYBPPFDVAUZFSV-VHSXEESVSA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842713 663312610 /nfs/dbraw/zinc/31/26/10/663312610.db2.gz PYBPPFDVAUZFSV-VHSXEESVSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000938376348 663314655 /nfs/dbraw/zinc/31/46/55/663314655.db2.gz NBRIUSSKQXGCDV-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000938410961 663318025 /nfs/dbraw/zinc/31/80/25/663318025.db2.gz UBBJCUMCXIERKM-HBNTYKKESA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938464465 663318622 /nfs/dbraw/zinc/31/86/22/663318622.db2.gz WRUIRMNVCDFMGG-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938459444 663320324 /nfs/dbraw/zinc/32/03/24/663320324.db2.gz ICJMGZJIGVMVPV-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)O1 ZINC000994841161 663321691 /nfs/dbraw/zinc/32/16/91/663321691.db2.gz VMLSSJZTHHRWNT-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnnn3C)C2)O1 ZINC000994841161 663321695 /nfs/dbraw/zinc/32/16/95/663321695.db2.gz VMLSSJZTHHRWNT-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539602 663323466 /nfs/dbraw/zinc/32/34/66/663323466.db2.gz KTTBLJOHIGIKAN-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938565693 663325921 /nfs/dbraw/zinc/32/59/21/663325921.db2.gz AMMDNRHXMKMSHG-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938565694 663325948 /nfs/dbraw/zinc/32/59/48/663325948.db2.gz AMMDNRHXMKMSHG-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000938586541 663327551 /nfs/dbraw/zinc/32/75/51/663327551.db2.gz ZIMKDWUPVLDXRR-UWVGGRQHSA-N 1 1 305.338 -1.037 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)CC2 ZINC000938582426 663328118 /nfs/dbraw/zinc/32/81/18/663328118.db2.gz PTJGDNDTFVEPJZ-QWRGUYRKSA-N 1 1 319.365 -1.044 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)C2 ZINC000938585984 663329436 /nfs/dbraw/zinc/32/94/36/663329436.db2.gz AAVUOYNBHXBLMN-QWRGUYRKSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)O1 ZINC000994851748 663330814 /nfs/dbraw/zinc/33/08/14/663330814.db2.gz YUJSFELLKSKOHX-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)O1 ZINC000994851748 663330820 /nfs/dbraw/zinc/33/08/20/663330820.db2.gz YUJSFELLKSKOHX-YUSALJHKSA-N 1 1 324.381 -1.689 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000994850873 663331230 /nfs/dbraw/zinc/33/12/30/663331230.db2.gz PGYHBSUVYRLUQY-LDYMZIIASA-N 1 1 322.369 -1.227 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000994850873 663331234 /nfs/dbraw/zinc/33/12/34/663331234.db2.gz PGYHBSUVYRLUQY-LDYMZIIASA-N 1 1 322.369 -1.227 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)O1 ZINC000994850960 663331297 /nfs/dbraw/zinc/33/12/97/663331297.db2.gz QMSUNCKJONCQSF-PSASIEDQSA-N 1 1 323.357 -2.130 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3nnn(C)n3)C2)O1 ZINC000994850960 663331300 /nfs/dbraw/zinc/33/13/00/663331300.db2.gz QMSUNCKJONCQSF-PSASIEDQSA-N 1 1 323.357 -2.130 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC000994852852 663331329 /nfs/dbraw/zinc/33/13/29/663331329.db2.gz WBAJLYWYUVGZKO-LDYMZIIASA-N 1 1 308.342 -1.536 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)O1 ZINC000994852852 663331336 /nfs/dbraw/zinc/33/13/36/663331336.db2.gz WBAJLYWYUVGZKO-LDYMZIIASA-N 1 1 308.342 -1.536 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000938794957 663334001 /nfs/dbraw/zinc/33/40/01/663334001.db2.gz WLHJTFJJVHSATP-VIFPVBQESA-N 1 1 323.353 -1.106 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000938823620 663334652 /nfs/dbraw/zinc/33/46/52/663334652.db2.gz OSDKSRMIRKWNEB-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938819618 663334770 /nfs/dbraw/zinc/33/47/70/663334770.db2.gz SNNVZFUMRSWIEE-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831668 663335245 /nfs/dbraw/zinc/33/52/45/663335245.db2.gz WBMXTTQGLQLNRA-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831668 663335247 /nfs/dbraw/zinc/33/52/47/663335247.db2.gz WBMXTTQGLQLNRA-CMPLNLGQSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831671 663335287 /nfs/dbraw/zinc/33/52/87/663335287.db2.gz WBMXTTQGLQLNRA-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000938831671 663335291 /nfs/dbraw/zinc/33/52/91/663335291.db2.gz WBMXTTQGLQLNRA-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCCC2=O)NC1=O ZINC001038589798 663336536 /nfs/dbraw/zinc/33/65/36/663336536.db2.gz ZSLCTUAJHVXMAX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCCC2=O)NC1=O ZINC001038589798 663336541 /nfs/dbraw/zinc/33/65/41/663336541.db2.gz ZSLCTUAJHVXMAX-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCN2CCCC2=O)NC1=O ZINC001038589799 663336716 /nfs/dbraw/zinc/33/67/16/663336716.db2.gz ZSLCTUAJHVXMAX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCN2CCCC2=O)NC1=O ZINC001038589799 663336718 /nfs/dbraw/zinc/33/67/18/663336718.db2.gz ZSLCTUAJHVXMAX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948173962 663337078 /nfs/dbraw/zinc/33/70/78/663337078.db2.gz YIBQKIPEDFKZAK-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCNC1=O ZINC001031749233 663337494 /nfs/dbraw/zinc/33/74/94/663337494.db2.gz RRPQSEQDHFXJSV-QWRGUYRKSA-N 1 1 322.365 -1.634 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)C1=O ZINC001031748236 663338131 /nfs/dbraw/zinc/33/81/31/663338131.db2.gz YQSSPEVDZOLGJM-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031753056 663338481 /nfs/dbraw/zinc/33/84/81/663338481.db2.gz ZRNKDRGYYXYNLZ-SECBINFHSA-N 1 1 321.337 -1.109 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)C1=O ZINC001031754831 663338759 /nfs/dbraw/zinc/33/87/59/663338759.db2.gz RUTPKOOBGDLESU-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001031757420 663338880 /nfs/dbraw/zinc/33/88/80/663338880.db2.gz QTSFNJLRSCFQSN-JTQLQIEISA-N 1 1 319.321 -1.351 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)O1 ZINC001031765827 663340414 /nfs/dbraw/zinc/34/04/14/663340414.db2.gz QUIVZUBTTSEYJJ-DGCLKSJQSA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CN(CC(=O)N(C)C)C2)O1 ZINC001031765827 663340419 /nfs/dbraw/zinc/34/04/19/663340419.db2.gz QUIVZUBTTSEYJJ-DGCLKSJQSA-N 1 1 312.414 -1.158 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939130757 663343618 /nfs/dbraw/zinc/34/36/18/663343618.db2.gz DNTPKANJTYAUJU-MNOVXSKESA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939130756 663344045 /nfs/dbraw/zinc/34/40/45/663344045.db2.gz DNTPKANJTYAUJU-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001031796573 663344955 /nfs/dbraw/zinc/34/49/55/663344955.db2.gz PFCSKYLOULNYKQ-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001031796576 663345148 /nfs/dbraw/zinc/34/51/48/663345148.db2.gz PFCSKYLOULNYKQ-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031801956 663345616 /nfs/dbraw/zinc/34/56/16/663345616.db2.gz IYTFLTVFDPSJIA-WDEREUQCSA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001031809012 663348261 /nfs/dbraw/zinc/34/82/61/663348261.db2.gz GRNRJCHOXMBERY-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939329286 663350049 /nfs/dbraw/zinc/35/00/49/663350049.db2.gz OUIVLZBQDCBJIC-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939340548 663350849 /nfs/dbraw/zinc/35/08/49/663350849.db2.gz ZARAKNWFQZHEBO-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1nonc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000994935228 663351403 /nfs/dbraw/zinc/35/14/03/663351403.db2.gz PHMAKMTWUWOBPB-SNVBAGLBSA-N 1 1 309.326 -1.351 20 0 DAADMO Cc1nonc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000994935228 663351406 /nfs/dbraw/zinc/35/14/06/663351406.db2.gz PHMAKMTWUWOBPB-SNVBAGLBSA-N 1 1 309.326 -1.351 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000939339673 663351429 /nfs/dbraw/zinc/35/14/29/663351429.db2.gz MWVFMWNCXVNGNC-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000939384737 663354581 /nfs/dbraw/zinc/35/45/81/663354581.db2.gz VIABMGZMLFSISH-SECBINFHSA-N 1 1 323.353 -1.106 20 0 DAADMO Cn1cnn(CC(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1=O ZINC000994973380 663358575 /nfs/dbraw/zinc/35/85/75/663358575.db2.gz MTFWNEHMOCCIKF-NSHDSACASA-N 1 1 322.369 -1.997 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000939685390 663360634 /nfs/dbraw/zinc/36/06/34/663360634.db2.gz HSNXDOICECIAMM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000939685390 663360637 /nfs/dbraw/zinc/36/06/37/663360637.db2.gz HSNXDOICECIAMM-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1NC(=O)C(N)=O ZINC000939691050 663361297 /nfs/dbraw/zinc/36/12/97/663361297.db2.gz BAMGAPYOSWGOGX-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939719183 663363377 /nfs/dbraw/zinc/36/33/77/663363377.db2.gz RYAPJEDVAYLLAC-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939719183 663363380 /nfs/dbraw/zinc/36/33/80/663363380.db2.gz RYAPJEDVAYLLAC-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000939749727 663363689 /nfs/dbraw/zinc/36/36/89/663363689.db2.gz HRHNCQXGELZYSI-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000939749728 663363989 /nfs/dbraw/zinc/36/39/89/663363989.db2.gz HRHNCQXGELZYSI-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000939871091 663365209 /nfs/dbraw/zinc/36/52/09/663365209.db2.gz DTAIFQAMDJJKES-KOLCDFICSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000939871091 663365212 /nfs/dbraw/zinc/36/52/12/663365212.db2.gz DTAIFQAMDJJKES-KOLCDFICSA-N 1 1 308.342 -1.534 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000939871782 663365527 /nfs/dbraw/zinc/36/55/27/663365527.db2.gz VSGIBALKUDOPIW-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000939871782 663365531 /nfs/dbraw/zinc/36/55/31/663365531.db2.gz VSGIBALKUDOPIW-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO NC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856706 663365584 /nfs/dbraw/zinc/36/55/84/663365584.db2.gz GNCRGWIVCICKGT-JYHUIVOISA-N 1 1 308.382 -1.617 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000939865938 663365629 /nfs/dbraw/zinc/36/56/29/663365629.db2.gz BSVNXIDHMKKJLE-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000939865938 663365632 /nfs/dbraw/zinc/36/56/32/663365632.db2.gz BSVNXIDHMKKJLE-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000939863835 663365881 /nfs/dbraw/zinc/36/58/81/663365881.db2.gz OPJGFSAVZRMXNR-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000939863835 663365884 /nfs/dbraw/zinc/36/58/84/663365884.db2.gz OPJGFSAVZRMXNR-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001038593700 663366192 /nfs/dbraw/zinc/36/61/92/663366192.db2.gz OOISNDYEFMZRCP-ZJUUUORDSA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@H]1CCNC1=O ZINC001038593700 663366193 /nfs/dbraw/zinc/36/61/93/663366193.db2.gz OOISNDYEFMZRCP-ZJUUUORDSA-N 1 1 323.353 -2.135 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031861324 663366335 /nfs/dbraw/zinc/36/63/35/663366335.db2.gz QUWDDNXERLVINV-NSHDSACASA-N 1 1 307.354 -1.294 20 0 DAADMO CCCC[NH+]1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001031869790 663368050 /nfs/dbraw/zinc/36/80/50/663368050.db2.gz UCSUFQQVYJBUAT-NSHDSACASA-N 1 1 317.411 -1.252 20 0 DAADMO CC(C)[NH+]1CC(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001031870054 663368512 /nfs/dbraw/zinc/36/85/12/663368512.db2.gz YXNRBONRHBHIND-JTQLQIEISA-N 1 1 303.384 -1.644 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000940100592 663368344 /nfs/dbraw/zinc/36/83/44/663368344.db2.gz IKWZTKFXOUSWPJ-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000940103535 663368628 /nfs/dbraw/zinc/36/86/28/663368628.db2.gz MRDFYOAAUMJBRL-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000940238880 663370715 /nfs/dbraw/zinc/37/07/15/663370715.db2.gz SAWJZQGNJSFJQN-OUAUKWLOSA-N 1 1 310.354 -1.094 20 0 DAADMO OCC[NH+]1CCN(C(=S)NCCN2CCOCC2)CC1 ZINC000242832917 663372910 /nfs/dbraw/zinc/37/29/10/663372910.db2.gz FRLHMACELMKAST-UHFFFAOYSA-N 1 1 302.444 -1.197 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(N)=O)C2)n1 ZINC000995075750 663373175 /nfs/dbraw/zinc/37/31/75/663373175.db2.gz YYGGGRNZRLBYTC-DTWKUNHWSA-N 1 1 310.358 -1.005 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cnco1 ZINC001031885867 663373323 /nfs/dbraw/zinc/37/33/23/663373323.db2.gz MLOYSIDVSWQEQE-UHFFFAOYSA-N 1 1 307.310 -1.112 20 0 DAADMO CN(C)c1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C2)n1 ZINC000995075752 663373542 /nfs/dbraw/zinc/37/35/42/663373542.db2.gz YYGGGRNZRLBYTC-RKDXNWHRSA-N 1 1 310.358 -1.005 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031893626 663373770 /nfs/dbraw/zinc/37/37/70/663373770.db2.gz FNJKRKOOGONIMC-UHFFFAOYSA-N 1 1 321.341 -1.673 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000940522267 663374327 /nfs/dbraw/zinc/37/43/27/663374327.db2.gz FQLWROIVOPDQBL-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000995081061 663374516 /nfs/dbraw/zinc/37/45/16/663374516.db2.gz JTJCOELXESAINW-LLVKDONJSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000940523208 663374621 /nfs/dbraw/zinc/37/46/21/663374621.db2.gz UIKKAPPKFJIPTR-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000995082309 663374968 /nfs/dbraw/zinc/37/49/68/663374968.db2.gz BNHDQWUJDDVEMU-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000940559727 663375290 /nfs/dbraw/zinc/37/52/90/663375290.db2.gz HNBLHOCNERSIQU-MNOVXSKESA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940560148 663375355 /nfs/dbraw/zinc/37/53/55/663375355.db2.gz LMVWVCDGBAXFPF-ZJUUUORDSA-N 1 1 309.374 -1.236 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000940559726 663375625 /nfs/dbraw/zinc/37/56/25/663375625.db2.gz HNBLHOCNERSIQU-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031896920 663375978 /nfs/dbraw/zinc/37/59/78/663375978.db2.gz LUCQXDPZJOXQRG-JOYOIKCWSA-N 1 1 323.397 -1.275 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)NC1=O ZINC000995085825 663376296 /nfs/dbraw/zinc/37/62/96/663376296.db2.gz RZZIKPWHRGKJAP-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001031897498 663376326 /nfs/dbraw/zinc/37/63/26/663376326.db2.gz SQTBFCMHGRMSIN-LBPRGKRZSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1)C1CC1 ZINC001031896999 663376340 /nfs/dbraw/zinc/37/63/40/663376340.db2.gz NDFKEKDFXIMZOV-LBPRGKRZSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940610828 663376817 /nfs/dbraw/zinc/37/68/17/663376817.db2.gz IUOAHGLGYDTLGZ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000995085523 663376836 /nfs/dbraw/zinc/37/68/36/663376836.db2.gz OIYPUKKHQQHTIK-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940611705 663376992 /nfs/dbraw/zinc/37/69/92/663376992.db2.gz GROJVXGQAOMVSO-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940611705 663376995 /nfs/dbraw/zinc/37/69/95/663376995.db2.gz GROJVXGQAOMVSO-MNOVXSKESA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940611704 663377143 /nfs/dbraw/zinc/37/71/43/663377143.db2.gz GROJVXGQAOMVSO-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940611704 663377146 /nfs/dbraw/zinc/37/71/46/663377146.db2.gz GROJVXGQAOMVSO-GHMZBOCLSA-N 1 1 323.357 -2.279 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031900995 663377719 /nfs/dbraw/zinc/37/77/19/663377719.db2.gz IVMGRLVHEDAGDS-QWRGUYRKSA-N 1 1 309.370 -1.711 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031900972 663377930 /nfs/dbraw/zinc/37/79/30/663377930.db2.gz IVMGRLVHEDAGDS-GHMZBOCLSA-N 1 1 309.370 -1.711 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000940616063 663378189 /nfs/dbraw/zinc/37/81/89/663378189.db2.gz QURDGFVDUUXJQT-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1=O ZINC001031901306 663378304 /nfs/dbraw/zinc/37/83/04/663378304.db2.gz QQYDKGACMQKZPB-NWDGAFQWSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)NC1=O ZINC001031902793 663378647 /nfs/dbraw/zinc/37/86/47/663378647.db2.gz QZYKBZJVUFQBFL-NXEZZACHSA-N 1 1 323.353 -2.137 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940689879 663379191 /nfs/dbraw/zinc/37/91/91/663379191.db2.gz RUVXEVJVTFNMTD-JTQLQIEISA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940689879 663379197 /nfs/dbraw/zinc/37/91/97/663379197.db2.gz RUVXEVJVTFNMTD-JTQLQIEISA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940689880 663379229 /nfs/dbraw/zinc/37/92/29/663379229.db2.gz RUVXEVJVTFNMTD-SNVBAGLBSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000940689880 663379231 /nfs/dbraw/zinc/37/92/31/663379231.db2.gz RUVXEVJVTFNMTD-SNVBAGLBSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCNC1=O ZINC001031903154 663379267 /nfs/dbraw/zinc/37/92/67/663379267.db2.gz WALFQKISCGIXOW-SNVBAGLBSA-N 1 1 323.353 -2.278 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CN=NC1=O ZINC000940689835 663379321 /nfs/dbraw/zinc/37/93/21/663379321.db2.gz PYEBAYCPWVTKAT-VIFPVBQESA-N 1 1 310.358 -1.314 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CN=NC1=O ZINC000940689835 663379325 /nfs/dbraw/zinc/37/93/25/663379325.db2.gz PYEBAYCPWVTKAT-VIFPVBQESA-N 1 1 310.358 -1.314 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747139 663379721 /nfs/dbraw/zinc/37/97/21/663379721.db2.gz FZBSAIWRFVPYOI-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747139 663379723 /nfs/dbraw/zinc/37/97/23/663379723.db2.gz FZBSAIWRFVPYOI-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000940753441 663379793 /nfs/dbraw/zinc/37/97/93/663379793.db2.gz LWMAXDIVJSVYAO-JTQLQIEISA-N 1 1 324.385 -1.414 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747140 663379926 /nfs/dbraw/zinc/37/99/26/663379926.db2.gz FZBSAIWRFVPYOI-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747140 663379930 /nfs/dbraw/zinc/37/99/30/663379930.db2.gz FZBSAIWRFVPYOI-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)C1=O ZINC001031912593 663380489 /nfs/dbraw/zinc/38/04/89/663380489.db2.gz NVIUMAWKPOINCH-RYUDHWBXSA-N 1 1 308.382 -1.257 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031913082 663380508 /nfs/dbraw/zinc/38/05/08/663380508.db2.gz SMXRWZUAKSIBDT-SRRSOLGSSA-N 1 1 307.350 -1.268 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031910950 663380518 /nfs/dbraw/zinc/38/05/18/663380518.db2.gz YQRQREMYYCVCRC-PJXYFTJBSA-N 1 1 322.365 -1.521 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(F)F ZINC000940920482 663381659 /nfs/dbraw/zinc/38/16/59/663381659.db2.gz GTVDEFRDNCHRAI-OPRDCNLKSA-N 1 1 321.324 -1.076 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(F)F ZINC000940920482 663381661 /nfs/dbraw/zinc/38/16/61/663381661.db2.gz GTVDEFRDNCHRAI-OPRDCNLKSA-N 1 1 321.324 -1.076 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031916664 663381812 /nfs/dbraw/zinc/38/18/12/663381812.db2.gz DUUDXGJMCOEJDU-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993858 663382828 /nfs/dbraw/zinc/38/28/28/663382828.db2.gz OXEGSFLYDBTEID-UWVGGRQHSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C(C)(C)C1 ZINC000940993858 663382832 /nfs/dbraw/zinc/38/28/32/663382832.db2.gz OXEGSFLYDBTEID-UWVGGRQHSA-N 1 1 311.386 -1.370 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCC(=O)NC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000940997180 663382946 /nfs/dbraw/zinc/38/29/46/663382946.db2.gz PWXHMYMPMBYVPW-BDAKNGLRSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000941096689 663384188 /nfs/dbraw/zinc/38/41/88/663384188.db2.gz BUGKXRFNWDWKGX-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000070817228 663384471 /nfs/dbraw/zinc/38/44/71/663384471.db2.gz IMBNSSHCDAGEOI-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001031933745 663385195 /nfs/dbraw/zinc/38/51/95/663385195.db2.gz LDEMFMYIBBCZJT-SNVBAGLBSA-N 1 1 319.321 -1.763 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000941256562 663386156 /nfs/dbraw/zinc/38/61/56/663386156.db2.gz ZFWZJCJMAVPRNM-ZJUUUORDSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000941256562 663386158 /nfs/dbraw/zinc/38/61/58/663386158.db2.gz ZFWZJCJMAVPRNM-ZJUUUORDSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000941256560 663386539 /nfs/dbraw/zinc/38/65/39/663386539.db2.gz ZFWZJCJMAVPRNM-UWVGGRQHSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000941256560 663386540 /nfs/dbraw/zinc/38/65/40/663386540.db2.gz ZFWZJCJMAVPRNM-UWVGGRQHSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941296346 663387205 /nfs/dbraw/zinc/38/72/05/663387205.db2.gz PXFFZSNNRGLUFQ-UHFFFAOYSA-N 1 1 307.354 -1.384 20 0 DAADMO NC(=O)C(=O)N1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000941290096 663387395 /nfs/dbraw/zinc/38/73/95/663387395.db2.gz CFNHWVGJPAYLQQ-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995137627 663387482 /nfs/dbraw/zinc/38/74/82/663387482.db2.gz UTRGPHXLTZOZEF-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995138562 663387598 /nfs/dbraw/zinc/38/75/98/663387598.db2.gz MAXXLHYYOZHUJP-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000995138562 663387599 /nfs/dbraw/zinc/38/75/99/663387599.db2.gz MAXXLHYYOZHUJP-PWSUYJOCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995138559 663387699 /nfs/dbraw/zinc/38/76/99/663387699.db2.gz MAXXLHYYOZHUJP-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995138559 663387702 /nfs/dbraw/zinc/38/77/02/663387702.db2.gz MAXXLHYYOZHUJP-JQWIXIFHSA-N 1 1 324.381 -1.830 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031942923 663389284 /nfs/dbraw/zinc/38/92/84/663389284.db2.gz VHZADMRFFHLEQN-BDAKNGLRSA-N 1 1 309.326 -2.479 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1CNC(=O)N1 ZINC001031943100 663389541 /nfs/dbraw/zinc/38/95/41/663389541.db2.gz XCNBWLKHZZGINE-SECBINFHSA-N 1 1 324.341 -2.732 20 0 DAADMO CC(C)N1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031942588 663389549 /nfs/dbraw/zinc/38/95/49/663389549.db2.gz OGKSASVKIMNNEW-NEPJUHHUSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942883 663389598 /nfs/dbraw/zinc/38/95/98/663389598.db2.gz UWZZWYYEPHKUCB-GZMMTYOYSA-N 1 1 309.370 -1.617 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941344155 663390291 /nfs/dbraw/zinc/39/02/91/663390291.db2.gz DNGZBCRPFBHAGE-CYBMUJFWSA-N 1 1 309.414 -1.606 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344676 663390337 /nfs/dbraw/zinc/39/03/37/663390337.db2.gz JCDJPXCKURUCAZ-JSGCOSHPSA-N 1 1 323.441 -1.217 20 0 DAADMO CNC(=O)CN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941344411 663390390 /nfs/dbraw/zinc/39/03/90/663390390.db2.gz HYTPXQCPLOBBRF-CQSZACIVSA-N 1 1 323.441 -1.345 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)C1 ZINC000941345489 663390566 /nfs/dbraw/zinc/39/05/66/663390566.db2.gz UISMUKOCAFKDRE-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO Nc1nccnc1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941351086 663390574 /nfs/dbraw/zinc/39/05/74/663390574.db2.gz NVVQGDPDAFUWTB-UHFFFAOYSA-N 1 1 306.370 -1.507 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941344157 663390613 /nfs/dbraw/zinc/39/06/13/663390613.db2.gz DNGZBCRPFBHAGE-ZDUSSCGKSA-N 1 1 309.414 -1.606 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)no1 ZINC000941354641 663391151 /nfs/dbraw/zinc/39/11/51/663391151.db2.gz RAZBIGQPUCQMBF-MRVPVSSYSA-N 1 1 309.326 -1.448 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941370480 663391348 /nfs/dbraw/zinc/39/13/48/663391348.db2.gz YKHMNHNPAUOFOV-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000941370480 663391352 /nfs/dbraw/zinc/39/13/52/663391352.db2.gz YKHMNHNPAUOFOV-OUAUKWLOSA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941370479 663391424 /nfs/dbraw/zinc/39/14/24/663391424.db2.gz YKHMNHNPAUOFOV-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941370479 663391427 /nfs/dbraw/zinc/39/14/27/663391427.db2.gz YKHMNHNPAUOFOV-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941357499 663391771 /nfs/dbraw/zinc/39/17/71/663391771.db2.gz WNYSIVDLVODCFA-AWEZNQCLSA-N 1 1 312.414 -1.862 20 0 DAADMO O=C(CC1OCCCO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941390734 663391855 /nfs/dbraw/zinc/39/18/55/663391855.db2.gz CEMBDDSEAJMTNW-UHFFFAOYSA-N 1 1 313.398 -1.040 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941383796 663392410 /nfs/dbraw/zinc/39/24/10/663392410.db2.gz IZARQLMQZJKUBO-AWEZNQCLSA-N 1 1 312.414 -1.862 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC000941396218 663392691 /nfs/dbraw/zinc/39/26/91/663392691.db2.gz BAMIYCWXINHQJT-LBPRGKRZSA-N 1 1 312.370 -1.430 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000941392758 663393169 /nfs/dbraw/zinc/39/31/69/663393169.db2.gz KORLTUJOSCXJGD-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941410825 663393211 /nfs/dbraw/zinc/39/32/11/663393211.db2.gz NUKISISUPLHCNQ-TZMCWYRMSA-N 1 1 324.425 -1.278 20 0 DAADMO CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000941426346 663393473 /nfs/dbraw/zinc/39/34/73/663393473.db2.gz BKUHKMKDNQOECB-BBBLOLIVSA-N 1 1 321.324 -1.076 20 0 DAADMO CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000941426346 663393474 /nfs/dbraw/zinc/39/34/74/663393474.db2.gz BKUHKMKDNQOECB-BBBLOLIVSA-N 1 1 321.324 -1.076 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC000941444669 663393761 /nfs/dbraw/zinc/39/37/61/663393761.db2.gz UJSVKJWYJHHSJL-UHFFFAOYSA-N 1 1 312.414 -1.027 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1)C1CCC1 ZINC000941438422 663394171 /nfs/dbraw/zinc/39/41/71/663394171.db2.gz WJTOUBLXZHEHSP-UHFFFAOYSA-N 1 1 323.441 -1.216 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941459868 663394213 /nfs/dbraw/zinc/39/42/13/663394213.db2.gz IIWUTCZNXFZSHZ-AWEZNQCLSA-N 1 1 323.441 -1.216 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941463008 663394277 /nfs/dbraw/zinc/39/42/77/663394277.db2.gz IFZPUICKMJAKDS-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941447286 663394703 /nfs/dbraw/zinc/39/47/03/663394703.db2.gz UTNXDJDLENYVHJ-UHFFFAOYSA-N 1 1 309.370 -1.142 20 0 DAADMO C[C@H]1C[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC(=O)N1 ZINC000941468035 663394971 /nfs/dbraw/zinc/39/49/71/663394971.db2.gz KYZOHOHFPHXTKI-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CC[C@H](CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1=O ZINC000941449798 663395332 /nfs/dbraw/zinc/39/53/32/663395332.db2.gz QHRNNDRMFUQCCP-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)C1 ZINC000941471079 663395363 /nfs/dbraw/zinc/39/53/63/663395363.db2.gz OVUQOMOMNKTFOF-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)c1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)co1 ZINC000941502324 663396223 /nfs/dbraw/zinc/39/62/23/663396223.db2.gz PYDRDSDGKAHIQN-UHFFFAOYSA-N 1 1 322.365 -1.187 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)C1 ZINC000941509799 663396358 /nfs/dbraw/zinc/39/63/58/663396358.db2.gz XQNJVYMDKRNWNZ-ZIAGYGMSSA-N 1 1 324.425 -1.027 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000941525739 663396577 /nfs/dbraw/zinc/39/65/77/663396577.db2.gz WGOGVKULHGMRFM-CQSZACIVSA-N 1 1 324.425 -1.061 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1=O ZINC000941524893 663396831 /nfs/dbraw/zinc/39/68/31/663396831.db2.gz RAEOOWVDPPTFST-CYBMUJFWSA-N 1 1 310.398 -1.715 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)C1 ZINC000941525738 663396980 /nfs/dbraw/zinc/39/69/80/663396980.db2.gz WGOGVKULHGMRFM-AWEZNQCLSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1c(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)c[nH]c1=O ZINC000941516054 663397518 /nfs/dbraw/zinc/39/75/18/663397518.db2.gz JSQCNYRLXMDTCI-UHFFFAOYSA-N 1 1 309.370 -1.440 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941528439 663397797 /nfs/dbraw/zinc/39/77/97/663397797.db2.gz ZVESMZHMCQFMAC-UHFFFAOYSA-N 1 1 321.381 -1.075 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](CCn3cccn3)C2)CC1 ZINC000941542838 663397985 /nfs/dbraw/zinc/39/79/85/663397985.db2.gz ABCATFXRHZYCQS-UHFFFAOYSA-N 1 1 306.370 -1.803 20 0 DAADMO C[C@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC(=O)NC1 ZINC000941528871 663398016 /nfs/dbraw/zinc/39/80/16/663398016.db2.gz CWSBPMBGTNCXOZ-INIZCTEOSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC(=O)NC1 ZINC000941528872 663398171 /nfs/dbraw/zinc/39/81/71/663398171.db2.gz CWSBPMBGTNCXOZ-MRXNPFEDSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000941556098 663399244 /nfs/dbraw/zinc/39/92/44/663399244.db2.gz BEMOZPIZYPPMAZ-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000941556098 663399247 /nfs/dbraw/zinc/39/92/47/663399247.db2.gz BEMOZPIZYPPMAZ-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[C@@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC1=O ZINC000941564178 663399468 /nfs/dbraw/zinc/39/94/68/663399468.db2.gz BAFIAWFNFUGJDT-OAHLLOKOSA-N 1 1 310.398 -1.667 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCNC3=O)CC2)C1 ZINC000941564228 663399700 /nfs/dbraw/zinc/39/97/00/663399700.db2.gz CZCGDSKPYPPMQH-MRXNPFEDSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC000941605515 663399810 /nfs/dbraw/zinc/39/98/10/663399810.db2.gz MAMQHLNHIDDRGZ-UHFFFAOYSA-N 1 1 308.386 -1.097 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000941598629 663399822 /nfs/dbraw/zinc/39/98/22/663399822.db2.gz DHHPVHSMVLZOIR-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO C[C@H](C(=O)N1CCN(C2C[NH+](CCO)C2)CC1)[C@H]1CCC(=O)N1 ZINC000941580015 663399990 /nfs/dbraw/zinc/39/99/90/663399990.db2.gz MEPFEQSHWIXLJN-GXTWGEPZSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000941602002 663400286 /nfs/dbraw/zinc/40/02/86/663400286.db2.gz KERKWNWRYRVWLT-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO COc1ncc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cn1 ZINC000941626676 663400834 /nfs/dbraw/zinc/40/08/34/663400834.db2.gz RCXISGLLLZNONU-UHFFFAOYSA-N 1 1 321.381 -1.081 20 0 DAADMO CCn1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)nn1 ZINC000941623001 663401437 /nfs/dbraw/zinc/40/14/37/663401437.db2.gz RRQOCAWKZORZRP-UHFFFAOYSA-N 1 1 308.386 -1.268 20 0 DAADMO Cn1cc(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)n(C)c1=O ZINC000941678673 663401564 /nfs/dbraw/zinc/40/15/64/663401564.db2.gz DDQDTYAMTGWFSS-UHFFFAOYSA-N 1 1 323.397 -1.842 20 0 DAADMO COc1c(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)cnn1C ZINC000941653386 663401692 /nfs/dbraw/zinc/40/16/92/663401692.db2.gz RIOUZGRUMMCABQ-UHFFFAOYSA-N 1 1 323.397 -1.137 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000941673234 663401882 /nfs/dbraw/zinc/40/18/82/663401882.db2.gz GGXZAQUFQSNBBF-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](C(N)=O)N1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666414 663402484 /nfs/dbraw/zinc/40/24/84/663402484.db2.gz YIWXNYXXQQIDSY-QWHCGFSZSA-N 1 1 323.441 -1.360 20 0 DAADMO C[NH+]1CCC(OCC(=O)N2CC(NC(=O)c3cnn[nH]3)C2)CC1 ZINC000995173250 663404202 /nfs/dbraw/zinc/40/42/02/663404202.db2.gz LAPKQXMTMLHAJL-UHFFFAOYSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792564 663404642 /nfs/dbraw/zinc/40/46/42/663404642.db2.gz YQNNKJCEQIYZBZ-PWSUYJOCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941792564 663404644 /nfs/dbraw/zinc/40/46/44/663404644.db2.gz YQNNKJCEQIYZBZ-PWSUYJOCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941794852 663404906 /nfs/dbraw/zinc/40/49/06/663404906.db2.gz ODYNZPQBCXIBLE-NEPJUHHUSA-N 1 1 319.373 -1.209 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867239 663405971 /nfs/dbraw/zinc/40/59/71/663405971.db2.gz MOQMSDLWAGMXPW-VXGBXAGGSA-N 1 1 322.369 -1.144 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cn[nH]n1 ZINC000995179840 663406064 /nfs/dbraw/zinc/40/60/64/663406064.db2.gz UEZWESGUCBJZRT-PWSUYJOCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1cnn[nH]1 ZINC000995179840 663406068 /nfs/dbraw/zinc/40/60/68/663406068.db2.gz UEZWESGUCBJZRT-PWSUYJOCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cnn[nH]1 ZINC000995179840 663406072 /nfs/dbraw/zinc/40/60/72/663406072.db2.gz UEZWESGUCBJZRT-PWSUYJOCSA-N 1 1 320.353 -1.392 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000941888882 663406808 /nfs/dbraw/zinc/40/68/08/663406808.db2.gz NBRIUSSKQXGCDV-TUAOUCFPSA-N 1 1 308.382 -1.066 20 0 DAADMO CO[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000941871554 663406810 /nfs/dbraw/zinc/40/68/10/663406810.db2.gz QPQWJLUXNDVDQB-GHMZBOCLSA-N 1 1 323.353 -1.591 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031978538 663407237 /nfs/dbraw/zinc/40/72/37/663407237.db2.gz VJXBYAIJUHODST-JQWIXIFHSA-N 1 1 322.413 -1.146 20 0 DAADMO CN1CCC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O ZINC001031982072 663408526 /nfs/dbraw/zinc/40/85/26/663408526.db2.gz DIERFTOIDJGDJB-GRYCIOLGSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC000941959826 663408611 /nfs/dbraw/zinc/40/86/11/663408611.db2.gz RWCKPMHIRPOOCM-ZJUUUORDSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](C)C1 ZINC000941968857 663408738 /nfs/dbraw/zinc/40/87/38/663408738.db2.gz YRSVUGYKHRCCHH-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)c1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001031982039 663408808 /nfs/dbraw/zinc/40/88/08/663408808.db2.gz BWFJUIPCCIFUGE-LLVKDONJSA-N 1 1 305.338 -1.336 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O ZINC001031982073 663408940 /nfs/dbraw/zinc/40/89/40/663408940.db2.gz DIERFTOIDJGDJB-WOPDTQHZSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](C)C1 ZINC000941959824 663409051 /nfs/dbraw/zinc/40/90/51/663409051.db2.gz RWCKPMHIRPOOCM-UWVGGRQHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](C)C1 ZINC000941968856 663409093 /nfs/dbraw/zinc/40/90/93/663409093.db2.gz YRSVUGYKHRCCHH-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031983224 663409491 /nfs/dbraw/zinc/40/94/91/663409491.db2.gz RFYNQKDCIWHMDA-MRVPVSSYSA-N 1 1 307.354 -1.090 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cncn3)C2)n1 ZINC000995195948 663411659 /nfs/dbraw/zinc/41/16/59/663411659.db2.gz NEZGAPJXTYOCRG-MNOVXSKESA-N 1 1 319.373 -1.124 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942052988 663411878 /nfs/dbraw/zinc/41/18/78/663411878.db2.gz INFOTVUKCVXTHF-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057532 663411904 /nfs/dbraw/zinc/41/19/04/663411904.db2.gz NWOTXVQQPGOHRS-CMPLNLGQSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057532 663411905 /nfs/dbraw/zinc/41/19/05/663411905.db2.gz NWOTXVQQPGOHRS-CMPLNLGQSA-N 1 1 319.373 -1.172 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)nn1 ZINC000942042593 663412005 /nfs/dbraw/zinc/41/20/05/663412005.db2.gz UJCAZBDKFBQVOV-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)nn1 ZINC000942042593 663412010 /nfs/dbraw/zinc/41/20/10/663412010.db2.gz UJCAZBDKFBQVOV-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057324 663412087 /nfs/dbraw/zinc/41/20/87/663412087.db2.gz MOVSOIBTEBGOHW-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942058599 663412219 /nfs/dbraw/zinc/41/22/19/663412219.db2.gz ZACWDKIUVZKLKY-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061179 663412551 /nfs/dbraw/zinc/41/25/51/663412551.db2.gz IOYVGCNHJFVCCJ-RKDXNWHRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061179 663412554 /nfs/dbraw/zinc/41/25/54/663412554.db2.gz IOYVGCNHJFVCCJ-RKDXNWHRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000942061058 663412609 /nfs/dbraw/zinc/41/26/09/663412609.db2.gz IEMYZMXRSVCBOR-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000942128195 663412933 /nfs/dbraw/zinc/41/29/33/663412933.db2.gz CPEOEIYKSGNPFX-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000942128195 663412935 /nfs/dbraw/zinc/41/29/35/663412935.db2.gz CPEOEIYKSGNPFX-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000942191823 663415084 /nfs/dbraw/zinc/41/50/84/663415084.db2.gz ICJMGZJIGVMVPV-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000942191822 663415175 /nfs/dbraw/zinc/41/51/75/663415175.db2.gz ICJMGZJIGVMVPV-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000942198180 663415647 /nfs/dbraw/zinc/41/56/47/663415647.db2.gz VYPFXEUZGUMYPY-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000942196049 663415653 /nfs/dbraw/zinc/41/56/53/663415653.db2.gz MMIZNPRUGSCUGB-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200742 663415872 /nfs/dbraw/zinc/41/58/72/663415872.db2.gz OGOOJBQJPJCPEG-VHSXEESVSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200742 663415876 /nfs/dbraw/zinc/41/58/76/663415876.db2.gz OGOOJBQJPJCPEG-VHSXEESVSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200740 663416286 /nfs/dbraw/zinc/41/62/86/663416286.db2.gz OGOOJBQJPJCPEG-NXEZZACHSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000942200740 663416287 /nfs/dbraw/zinc/41/62/87/663416287.db2.gz OGOOJBQJPJCPEG-NXEZZACHSA-N 1 1 310.358 -2.106 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000942301404 663419032 /nfs/dbraw/zinc/41/90/32/663419032.db2.gz VQOHLRKEMGAJQF-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)CC2 ZINC000942308230 663420676 /nfs/dbraw/zinc/42/06/76/663420676.db2.gz PTJGDNDTFVEPJZ-GHMZBOCLSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312770 663421672 /nfs/dbraw/zinc/42/16/72/663421672.db2.gz CPMQJLSYANDYHP-NXEZZACHSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000942312770 663421673 /nfs/dbraw/zinc/42/16/73/663421673.db2.gz CPMQJLSYANDYHP-NXEZZACHSA-N 1 1 323.353 -1.739 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000942430016 663423669 /nfs/dbraw/zinc/42/36/69/663423669.db2.gz OSDKSRMIRKWNEB-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559435 663426272 /nfs/dbraw/zinc/42/62/72/663426272.db2.gz BXMBSVWTEVDJOU-MNOVXSKESA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942559435 663426274 /nfs/dbraw/zinc/42/62/74/663426274.db2.gz BXMBSVWTEVDJOU-MNOVXSKESA-N 1 1 311.386 -2.270 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC000942560914 663426728 /nfs/dbraw/zinc/42/67/28/663426728.db2.gz YOXNWCWDNMYLLN-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942561629 663426759 /nfs/dbraw/zinc/42/67/59/663426759.db2.gz ALFQEMLXXRXWOI-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942567869 663426873 /nfs/dbraw/zinc/42/68/73/663426873.db2.gz SGLGRPNWFDQVRX-MNOVXSKESA-N 1 1 319.373 -1.058 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942560459 663426927 /nfs/dbraw/zinc/42/69/27/663426927.db2.gz QKYLVBUWVTUPIR-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942595142 663427392 /nfs/dbraw/zinc/42/73/92/663427392.db2.gz USCQAWBQAOWJHL-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942595252 663427435 /nfs/dbraw/zinc/42/74/35/663427435.db2.gz WHJRLRSXKHRRFH-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001032051507 663430208 /nfs/dbraw/zinc/43/02/08/663430208.db2.gz QTGQUTSHYNTTKN-NSHDSACASA-N 1 1 322.365 -1.634 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157252 663432921 /nfs/dbraw/zinc/43/29/21/663432921.db2.gz XWFAKSKSJVJIGZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCCN(C(=O)C(N)=O)C2)C1 ZINC000943157252 663432925 /nfs/dbraw/zinc/43/29/25/663432925.db2.gz XWFAKSKSJVJIGZ-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000943281232 663433246 /nfs/dbraw/zinc/43/32/46/663433246.db2.gz DMTNPEWUSYDKCI-NXEZZACHSA-N 1 1 309.326 -1.981 20 0 DAADMO CCn1cc(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)nn1 ZINC001032081064 663434120 /nfs/dbraw/zinc/43/41/20/663434120.db2.gz DRUYTYLRBMAKAC-UHFFFAOYSA-N 1 1 321.385 -1.015 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000943495138 663435783 /nfs/dbraw/zinc/43/57/83/663435783.db2.gz BWQCARVNYZKCRZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000943495138 663435786 /nfs/dbraw/zinc/43/57/86/663435786.db2.gz BWQCARVNYZKCRZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000943662050 663437186 /nfs/dbraw/zinc/43/71/86/663437186.db2.gz FJXOZTMLHBLIOY-GMTAPVOTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](NC(=O)C(N)=O)CC2)C1 ZINC000943662050 663437187 /nfs/dbraw/zinc/43/71/87/663437187.db2.gz FJXOZTMLHBLIOY-GMTAPVOTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cn2cnnn2)C1 ZINC000943856115 663439105 /nfs/dbraw/zinc/43/91/05/663439105.db2.gz BFOKTIZDBKHICN-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC000943854845 663439275 /nfs/dbraw/zinc/43/92/75/663439275.db2.gz GJVIEDDHVRBRFX-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)n1 ZINC000995417249 663441161 /nfs/dbraw/zinc/44/11/61/663441161.db2.gz SZKSLUCEXVKHJY-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000944030751 663442657 /nfs/dbraw/zinc/44/26/57/663442657.db2.gz AKXIYJPQCOFAAL-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cnnn2)CC1 ZINC000944030023 663443027 /nfs/dbraw/zinc/44/30/27/663443027.db2.gz RFNCHXVLBCZCCA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000944039240 663443641 /nfs/dbraw/zinc/44/36/41/663443641.db2.gz HMUWADUUDMOWPQ-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173177 663444377 /nfs/dbraw/zinc/44/43/77/663444377.db2.gz RAANWDCZZUEINW-UHFFFAOYSA-N 1 1 307.354 -1.470 20 0 DAADMO Cn1nc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001032172457 663444525 /nfs/dbraw/zinc/44/45/25/663444525.db2.gz BGINQQTXRQAMOD-NSHDSACASA-N 1 1 305.338 -1.670 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184834 663444789 /nfs/dbraw/zinc/44/47/89/663444789.db2.gz ZZZZLVACUMQVNF-MRVPVSSYSA-N 1 1 323.353 -1.718 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184430 663445720 /nfs/dbraw/zinc/44/57/20/663445720.db2.gz SGGWXVIOVLVNJA-SNVBAGLBSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000944156274 663446197 /nfs/dbraw/zinc/44/61/97/663446197.db2.gz SXVJROQUMBHZQU-UWVGGRQHSA-N 1 1 320.353 -1.150 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)n1 ZINC000944239827 663448910 /nfs/dbraw/zinc/44/89/10/663448910.db2.gz AJAJPDBQBNQCGN-JQWIXIFHSA-N 1 1 321.381 -1.136 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)n1 ZINC000944239827 663448912 /nfs/dbraw/zinc/44/89/12/663448912.db2.gz AJAJPDBQBNQCGN-JQWIXIFHSA-N 1 1 321.381 -1.136 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194431 663449637 /nfs/dbraw/zinc/44/96/37/663449637.db2.gz RFSVBJMUYDOKRZ-SCZZXKLOSA-N 1 1 318.399 -2.139 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194433 663449785 /nfs/dbraw/zinc/44/97/85/663449785.db2.gz RFSVBJMUYDOKRZ-WCBMZHEXSA-N 1 1 318.399 -2.139 20 0 DAADMO CC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC000995480951 663450151 /nfs/dbraw/zinc/45/01/51/663450151.db2.gz DAMJARPEZRDLSO-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC000995480947 663450332 /nfs/dbraw/zinc/45/03/32/663450332.db2.gz DAMJARPEZRDLSO-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001032201951 663452132 /nfs/dbraw/zinc/45/21/32/663452132.db2.gz LLDITBQOQWBACX-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)N3CCC3)C2)C1 ZINC001032201951 663452137 /nfs/dbraw/zinc/45/21/37/663452137.db2.gz LLDITBQOQWBACX-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC000944491790 663453601 /nfs/dbraw/zinc/45/36/01/663453601.db2.gz MCCFFUPJDHSNPT-KOLCDFICSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC000944491790 663453604 /nfs/dbraw/zinc/45/36/04/663453604.db2.gz MCCFFUPJDHSNPT-KOLCDFICSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC000944491791 663453823 /nfs/dbraw/zinc/45/38/23/663453823.db2.gz MCCFFUPJDHSNPT-MWLCHTKSSA-N 1 1 324.385 -1.798 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)c(=O)n1C ZINC000944491791 663453825 /nfs/dbraw/zinc/45/38/25/663453825.db2.gz MCCFFUPJDHSNPT-MWLCHTKSSA-N 1 1 324.385 -1.798 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2COCCO2)CC1(C)C ZINC000995499101 663454093 /nfs/dbraw/zinc/45/40/93/663454093.db2.gz GGVMVQWUPOIBRH-MNOVXSKESA-N 1 1 324.385 -1.048 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206820 663456163 /nfs/dbraw/zinc/45/61/63/663456163.db2.gz JWXNJERVHUOBAY-JTQLQIEISA-N 1 1 323.357 -2.311 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525919 663456709 /nfs/dbraw/zinc/45/67/09/663456709.db2.gz KFKAZJUNBBBKHM-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525919 663456715 /nfs/dbraw/zinc/45/67/15/663456715.db2.gz KFKAZJUNBBBKHM-VHSXEESVSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525918 663457062 /nfs/dbraw/zinc/45/70/62/663457062.db2.gz KFKAZJUNBBBKHM-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525918 663457067 /nfs/dbraw/zinc/45/70/67/663457067.db2.gz KFKAZJUNBBBKHM-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)CC(N)=O)CCO2)C1 ZINC000944597114 663459724 /nfs/dbraw/zinc/45/97/24/663459724.db2.gz PDCJFMFNCMOJTO-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)CC[N@H+]1C ZINC000944617126 663460436 /nfs/dbraw/zinc/46/04/36/663460436.db2.gz UHATWOWVRXNGJY-OUAUKWLOSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)CC[N@H+]1C ZINC000944617125 663460545 /nfs/dbraw/zinc/46/05/45/663460545.db2.gz UHATWOWVRXNGJY-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211864 663460556 /nfs/dbraw/zinc/46/05/56/663460556.db2.gz CICZCPKEDASTNU-SECBINFHSA-N 1 1 309.370 -1.480 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC000944635607 663460936 /nfs/dbraw/zinc/46/09/36/663460936.db2.gz UOUWANINHOFHFF-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO COCC[N@H+](CCC(=O)OC)CC(=O)N1CCNC(=O)C1 ZINC000733309659 663461046 /nfs/dbraw/zinc/46/10/46/663461046.db2.gz IPNGYLUIRCCCRQ-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO COCC[N@@H+](CCC(=O)OC)CC(=O)N1CCNC(=O)C1 ZINC000733309659 663461048 /nfs/dbraw/zinc/46/10/48/663461048.db2.gz IPNGYLUIRCCCRQ-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635834 663461069 /nfs/dbraw/zinc/46/10/69/663461069.db2.gz UZXIINALHXNISN-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000944635834 663461070 /nfs/dbraw/zinc/46/10/70/663461070.db2.gz UZXIINALHXNISN-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3cn[nH]n3)C2)C1 ZINC000944663811 663461999 /nfs/dbraw/zinc/46/19/99/663461999.db2.gz IYPUZKYSYBODFY-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663811 663462000 /nfs/dbraw/zinc/46/20/00/663462000.db2.gz IYPUZKYSYBODFY-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3cnn[nH]3)C2)C1 ZINC000944663811 663462001 /nfs/dbraw/zinc/46/20/01/663462001.db2.gz IYPUZKYSYBODFY-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)c3cnon3)C2)C1 ZINC000944743224 663466716 /nfs/dbraw/zinc/46/67/16/663466716.db2.gz WBCXJRCHVHRKQF-GHMZBOCLSA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811991 663468017 /nfs/dbraw/zinc/46/80/17/663468017.db2.gz RLGINQUQQBKACS-IUCAKERBSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811991 663468021 /nfs/dbraw/zinc/46/80/21/663468021.db2.gz RLGINQUQQBKACS-IUCAKERBSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000944787085 663468277 /nfs/dbraw/zinc/46/82/77/663468277.db2.gz AIGXWUMSUABNDG-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001032223956 663468734 /nfs/dbraw/zinc/46/87/34/663468734.db2.gz LOTUEKCTLLHASX-VIFPVBQESA-N 1 1 319.365 -1.023 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183480 663471283 /nfs/dbraw/zinc/47/12/83/663471283.db2.gz RDZMSFRAZPICGU-BDAKNGLRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945183480 663471285 /nfs/dbraw/zinc/47/12/85/663471285.db2.gz RDZMSFRAZPICGU-BDAKNGLRSA-N 1 1 323.357 -2.311 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945184636 663471412 /nfs/dbraw/zinc/47/14/12/663471412.db2.gz XDKVLSFIYQFQTE-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC000945224400 663472133 /nfs/dbraw/zinc/47/21/33/663472133.db2.gz RHJDDKBEFQKFTC-MNOVXSKESA-N 1 1 323.397 -1.090 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032264275 663475852 /nfs/dbraw/zinc/47/58/52/663475852.db2.gz AHKQGMXSONSNSH-ATZCPNFKSA-N 1 1 303.322 -1.031 20 0 DAADMO O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032264275 663475856 /nfs/dbraw/zinc/47/58/56/663475856.db2.gz AHKQGMXSONSNSH-ATZCPNFKSA-N 1 1 303.322 -1.031 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)C1=O ZINC001032269174 663476930 /nfs/dbraw/zinc/47/69/30/663476930.db2.gz GSDPFWPBSQSRJT-SDDRHHMPSA-N 1 1 319.369 -1.421 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032269761 663476950 /nfs/dbraw/zinc/47/69/50/663476950.db2.gz ZSXLERLTFCYWKQ-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032269761 663476952 /nfs/dbraw/zinc/47/69/52/663476952.db2.gz ZSXLERLTFCYWKQ-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032269389 663477157 /nfs/dbraw/zinc/47/71/57/663477157.db2.gz NSEUFZMAAYCKOE-QWRGUYRKSA-N 1 1 303.330 -1.750 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032269389 663477160 /nfs/dbraw/zinc/47/71/60/663477160.db2.gz NSEUFZMAAYCKOE-QWRGUYRKSA-N 1 1 303.330 -1.750 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032269455 663477306 /nfs/dbraw/zinc/47/73/06/663477306.db2.gz QCEZECWYLCJCRO-LPEHRKFASA-N 1 1 319.325 -2.237 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032269455 663477308 /nfs/dbraw/zinc/47/73/08/663477308.db2.gz QCEZECWYLCJCRO-LPEHRKFASA-N 1 1 319.325 -2.237 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)cn1 ZINC001032269324 663477318 /nfs/dbraw/zinc/47/73/18/663477318.db2.gz LCLQMRSBQSXCRX-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cnnn2)cn1 ZINC001032269324 663477319 /nfs/dbraw/zinc/47/73/19/663477319.db2.gz LCLQMRSBQSXCRX-STQMWFEESA-N 1 1 316.369 -1.066 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995707872 663477658 /nfs/dbraw/zinc/47/76/58/663477658.db2.gz AKUUNJOMWZINNE-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032270571 663477757 /nfs/dbraw/zinc/47/77/57/663477757.db2.gz JOPYKRXEPQRWFZ-SRVKXCTJSA-N 1 1 306.366 -1.218 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032270571 663477758 /nfs/dbraw/zinc/47/77/58/663477758.db2.gz JOPYKRXEPQRWFZ-SRVKXCTJSA-N 1 1 306.366 -1.218 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995709906 663478568 /nfs/dbraw/zinc/47/85/68/663478568.db2.gz GGBIRPJCOZOXIU-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995795096 663481697 /nfs/dbraw/zinc/48/16/97/663481697.db2.gz HSIMXFLDRYHIDJ-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC1(C)C ZINC000995748511 663481956 /nfs/dbraw/zinc/48/19/56/663481956.db2.gz VVAKDENQZHEQDH-IUCAKERBSA-N 1 1 323.357 -1.355 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC1(C)C ZINC000995748506 663482088 /nfs/dbraw/zinc/48/20/88/663482088.db2.gz VVAKDENQZHEQDH-BDAKNGLRSA-N 1 1 323.357 -1.355 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC000996058416 663482861 /nfs/dbraw/zinc/48/28/61/663482861.db2.gz GNBYPTSQAUAZFE-UHFFFAOYSA-N 1 1 304.314 -1.644 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000996059956 663482900 /nfs/dbraw/zinc/48/29/00/663482900.db2.gz OAXLBLUGGVPNMD-UHFFFAOYSA-N 1 1 316.321 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000996056178 663482912 /nfs/dbraw/zinc/48/29/12/663482912.db2.gz MKKJOAWMJIGDTO-UHFFFAOYSA-N 1 1 303.326 -1.121 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000996068434 663483051 /nfs/dbraw/zinc/48/30/51/663483051.db2.gz JDIOJHBDTPEMER-UHFFFAOYSA-N 1 1 303.326 -1.039 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000996059081 663483081 /nfs/dbraw/zinc/48/30/81/663483081.db2.gz JKSAIXXCGHIFJD-LLVKDONJSA-N 1 1 305.338 -1.345 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000996055496 663483087 /nfs/dbraw/zinc/48/30/87/663483087.db2.gz IQPSJNOTADRDAO-UHFFFAOYSA-N 1 1 305.338 -1.216 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000996064102 663483100 /nfs/dbraw/zinc/48/31/00/663483100.db2.gz FOQRNUKZTCYHDS-UHFFFAOYSA-N 1 1 314.367 -1.437 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2COCCN2C)C1 ZINC000996070996 663483481 /nfs/dbraw/zinc/48/34/81/663483481.db2.gz VGKUKDYQPHEQNT-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000996070008 663483507 /nfs/dbraw/zinc/48/35/07/663483507.db2.gz OZQUNKWTFPCSCS-UHFFFAOYSA-N 1 1 319.325 -1.484 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCNC2=O)CC1(C)C ZINC000996120916 663483784 /nfs/dbraw/zinc/48/37/84/663483784.db2.gz ACDBBUCXHDODNN-UWVGGRQHSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000996169242 663483986 /nfs/dbraw/zinc/48/39/86/663483986.db2.gz MUTZDNIBPMKCRJ-MRVPVSSYSA-N 1 1 320.361 -1.626 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC2(C)C)n1 ZINC000996214462 663484013 /nfs/dbraw/zinc/48/40/13/663484013.db2.gz QAVDZCFIXPPYLI-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)n1 ZINC000996167664 663484046 /nfs/dbraw/zinc/48/40/46/663484046.db2.gz KCXBBLWSWFHQOJ-SECBINFHSA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC000996211830 663484197 /nfs/dbraw/zinc/48/41/97/663484197.db2.gz JIWLKFWMGOEBAI-BDAKNGLRSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CC2(C)C)nn1 ZINC000996215305 663484253 /nfs/dbraw/zinc/48/42/53/663484253.db2.gz UDKKZUYGUZTCMP-WDEREUQCSA-N 1 1 321.385 -1.177 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C ZINC000996243457 663484659 /nfs/dbraw/zinc/48/46/59/663484659.db2.gz XMNHBRLUDMEOOI-SECBINFHSA-N 1 1 321.385 -1.198 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996258040 663484856 /nfs/dbraw/zinc/48/48/56/663484856.db2.gz NQVSKKVIUWLOSA-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CNC(=O)C3)C2)C1 ZINC000996258040 663484859 /nfs/dbraw/zinc/48/48/59/663484859.db2.gz NQVSKKVIUWLOSA-ABAIWWIYSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000996259812 663484875 /nfs/dbraw/zinc/48/48/75/663484875.db2.gz QEUIEMSFHADYJY-XHDPSFHLSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000996259791 663485033 /nfs/dbraw/zinc/48/50/33/663485033.db2.gz QEUIEMSFHADYJY-ABAIWWIYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951263 663485816 /nfs/dbraw/zinc/48/58/16/663485816.db2.gz LXLFQMHWZLEQGA-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015951263 663485817 /nfs/dbraw/zinc/48/58/17/663485817.db2.gz LXLFQMHWZLEQGA-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000996437286 663486171 /nfs/dbraw/zinc/48/61/71/663486171.db2.gz UIEQHFDCWIDXAH-JTQLQIEISA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000996437082 663486626 /nfs/dbraw/zinc/48/66/26/663486626.db2.gz SVMXMOLIWJZCAM-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000996443641 663486711 /nfs/dbraw/zinc/48/67/11/663486711.db2.gz OHRAFCPSVJYQLT-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000996442411 663486967 /nfs/dbraw/zinc/48/69/67/663486967.db2.gz PNTHVVWHHHDSHF-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC000996573508 663488918 /nfs/dbraw/zinc/48/89/18/663488918.db2.gz WIEPTTWTIOZGMC-VWYCJHECSA-N 1 1 305.338 -1.075 20 0 DAADMO CN1CCN(C(=O)CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000733975372 663489303 /nfs/dbraw/zinc/48/93/03/663489303.db2.gz SUNPCNYQCPECCQ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001032312884 663489724 /nfs/dbraw/zinc/48/97/24/663489724.db2.gz AKVRMDLQQIPPOZ-SRVKXCTJSA-N 1 1 320.397 -1.012 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032317036 663490192 /nfs/dbraw/zinc/49/01/92/663490192.db2.gz NGBPJWALEQYFMX-UKKRHICBSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032317036 663490200 /nfs/dbraw/zinc/49/02/00/663490200.db2.gz NGBPJWALEQYFMX-UKKRHICBSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032317028 663490296 /nfs/dbraw/zinc/49/02/96/663490296.db2.gz NGBPJWALEQYFMX-MMWGEVLESA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032317028 663490299 /nfs/dbraw/zinc/49/02/99/663490299.db2.gz NGBPJWALEQYFMX-MMWGEVLESA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032317373 663491011 /nfs/dbraw/zinc/49/10/11/663491011.db2.gz SRVOWOQXLRILLD-NNYUYHANSA-N 1 1 306.366 -1.171 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032317374 663491093 /nfs/dbraw/zinc/49/10/93/663491093.db2.gz SRVOWOQXLRILLD-YFKTTZPYSA-N 1 1 306.366 -1.171 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735039134 663494250 /nfs/dbraw/zinc/49/42/50/663494250.db2.gz QJIIFNCGLHTDSR-UHFFFAOYSA-N 1 1 324.381 -1.122 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000735037038 663494333 /nfs/dbraw/zinc/49/43/33/663494333.db2.gz DOFLWABCFGWLCY-GHMZBOCLSA-N 1 1 322.365 -1.323 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735046897 663494349 /nfs/dbraw/zinc/49/43/49/663494349.db2.gz YMRPWFNZUSFGAV-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@]3(C)CNC(=O)C3)CC2)n1 ZINC000996828144 663494413 /nfs/dbraw/zinc/49/44/13/663494413.db2.gz VKNUZXGJKNHWBS-CQSZACIVSA-N 1 1 321.385 -1.183 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735045299 663494416 /nfs/dbraw/zinc/49/44/16/663494416.db2.gz ZBWAIMMYCSSXEZ-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735047740 663494459 /nfs/dbraw/zinc/49/44/59/663494459.db2.gz ACYMJMIQNQEPSK-SNVBAGLBSA-N 1 1 310.354 -1.466 20 0 DAADMO COCC[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735053213 663495000 /nfs/dbraw/zinc/49/50/00/663495000.db2.gz AZZHRZCQIOGSKJ-UHFFFAOYSA-N 1 1 310.354 -1.512 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCNC3=O)CC2)n1 ZINC000996873555 663496366 /nfs/dbraw/zinc/49/63/66/663496366.db2.gz PTQGYTVQALKXON-JTQLQIEISA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC000996898219 663497201 /nfs/dbraw/zinc/49/72/01/663497201.db2.gz QIOQSXDKVVZKPR-UHFFFAOYSA-N 1 1 306.334 -1.872 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)C1=O ZINC000996911815 663498490 /nfs/dbraw/zinc/49/84/90/663498490.db2.gz GKBMZFDELUBNKO-NSHDSACASA-N 1 1 321.385 -1.231 20 0 DAADMO CC(C)(C)n1nnc(C[NH2+]C2CCN(C(=O)C(N)=O)CC2)n1 ZINC000996952029 663499693 /nfs/dbraw/zinc/49/96/93/663499693.db2.gz LUOSLDJXHKEWGU-UHFFFAOYSA-N 1 1 309.374 -1.006 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@]3(C)CCC(=O)N3)CC2)n1 ZINC000996962990 663499723 /nfs/dbraw/zinc/49/97/23/663499723.db2.gz CKHSOWNKPXIGMO-AWEZNQCLSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032362344 663499750 /nfs/dbraw/zinc/49/97/50/663499750.db2.gz WVCNQGWQTQIIES-GARJFASQSA-N 1 1 320.353 -1.453 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063008 663501982 /nfs/dbraw/zinc/50/19/82/663501982.db2.gz FXDPNLQZEDOSNB-MHMQJKDYSA-N 1 1 308.338 -2.338 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)C1 ZINC001032376569 663502167 /nfs/dbraw/zinc/50/21/67/663502167.db2.gz PTKQVGVAGLNNBN-RWMBFGLXSA-N 1 1 306.366 -1.362 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)C1 ZINC001032376569 663502170 /nfs/dbraw/zinc/50/21/70/663502170.db2.gz PTKQVGVAGLNNBN-RWMBFGLXSA-N 1 1 306.366 -1.362 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032375021 663503052 /nfs/dbraw/zinc/50/30/52/663503052.db2.gz SBCGLCIAMLJTPX-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(CCn1ccnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032375021 663503053 /nfs/dbraw/zinc/50/30/53/663503053.db2.gz SBCGLCIAMLJTPX-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997118794 663503787 /nfs/dbraw/zinc/50/37/87/663503787.db2.gz OQPABOSDXRUINO-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)O1 ZINC000997119658 663504221 /nfs/dbraw/zinc/50/42/21/663504221.db2.gz PFBKBUQKIWRRGN-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)O1 ZINC000997119658 663504224 /nfs/dbraw/zinc/50/42/24/663504224.db2.gz PFBKBUQKIWRRGN-ADEWGFFLSA-N 1 1 324.381 -1.689 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997118953 663504363 /nfs/dbraw/zinc/50/43/63/663504363.db2.gz JKHWGJFVFQRQAM-NSHDSACASA-N 1 1 305.338 -1.203 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997119816 663504426 /nfs/dbraw/zinc/50/44/26/663504426.db2.gz XAVWOXWSNOHNAQ-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997119807 663504466 /nfs/dbraw/zinc/50/44/66/663504466.db2.gz XAVWOXWSNOHNAQ-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCN(C)C2=O)n1 ZINC001032390055 663504531 /nfs/dbraw/zinc/50/45/31/663504531.db2.gz ABFXBMGBUTZHGI-GARJFASQSA-N 1 1 304.354 -1.056 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCN(C)C2=O)n1 ZINC001032390055 663504533 /nfs/dbraw/zinc/50/45/33/663504533.db2.gz ABFXBMGBUTZHGI-GARJFASQSA-N 1 1 304.354 -1.056 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001032397919 663505203 /nfs/dbraw/zinc/50/52/03/663505203.db2.gz UIMMMYRLEDYCCU-GARJFASQSA-N 1 1 304.354 -1.171 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)[nH]1 ZINC001032397919 663505204 /nfs/dbraw/zinc/50/52/04/663505204.db2.gz UIMMMYRLEDYCCU-GARJFASQSA-N 1 1 304.354 -1.171 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032406049 663505831 /nfs/dbraw/zinc/50/58/31/663505831.db2.gz HBJSBWWWMWBJHS-LPEHRKFASA-N 1 1 319.325 -2.237 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032406049 663505833 /nfs/dbraw/zinc/50/58/33/663505833.db2.gz HBJSBWWWMWBJHS-LPEHRKFASA-N 1 1 319.325 -2.237 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406573 663505952 /nfs/dbraw/zinc/50/59/52/663505952.db2.gz QFROLAIDWHTGSL-DCAQKATOSA-N 1 1 305.342 -1.811 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406573 663505955 /nfs/dbraw/zinc/50/59/55/663505955.db2.gz QFROLAIDWHTGSL-DCAQKATOSA-N 1 1 305.342 -1.811 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406272 663505959 /nfs/dbraw/zinc/50/59/59/663505959.db2.gz LGHMWEPLDDJAQL-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2ncnn2)C1=O ZINC001032406272 663505961 /nfs/dbraw/zinc/50/59/61/663505961.db2.gz LGHMWEPLDDJAQL-SRVKXCTJSA-N 1 1 319.369 -1.421 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032406059 663506085 /nfs/dbraw/zinc/50/60/85/663506085.db2.gz HNHCGKUPYUDBGA-QWRGUYRKSA-N 1 1 320.357 -2.017 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032406059 663506087 /nfs/dbraw/zinc/50/60/87/663506087.db2.gz HNHCGKUPYUDBGA-QWRGUYRKSA-N 1 1 320.357 -2.017 20 0 DAADMO O=C(Cn1cnnn1)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000997272494 663507933 /nfs/dbraw/zinc/50/79/33/663507933.db2.gz PZZYZLVJYFUXHA-AWEZNQCLSA-N 1 1 319.369 -1.514 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000997236505 663508003 /nfs/dbraw/zinc/50/80/03/663508003.db2.gz SMJPLBBEAFLOIK-CYBMUJFWSA-N 1 1 321.381 -1.082 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000997236505 663508005 /nfs/dbraw/zinc/50/80/05/663508005.db2.gz SMJPLBBEAFLOIK-CYBMUJFWSA-N 1 1 321.381 -1.082 20 0 DAADMO Cc1n[nH]cc1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000997281141 663508966 /nfs/dbraw/zinc/50/89/66/663508966.db2.gz GPAQJZKCTLTUCE-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000997281141 663508969 /nfs/dbraw/zinc/50/89/69/663508969.db2.gz GPAQJZKCTLTUCE-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988546 663509672 /nfs/dbraw/zinc/50/96/72/663509672.db2.gz ZOPNCQFBDNWDCP-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988546 663509674 /nfs/dbraw/zinc/50/96/74/663509674.db2.gz ZOPNCQFBDNWDCP-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032425375 663509918 /nfs/dbraw/zinc/50/99/18/663509918.db2.gz OPNLMZVJTMTHCP-GARJFASQSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032425375 663509920 /nfs/dbraw/zinc/50/99/20/663509920.db2.gz OPNLMZVJTMTHCP-GARJFASQSA-N 1 1 318.337 -1.632 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032425182 663510549 /nfs/dbraw/zinc/51/05/49/663510549.db2.gz GJMKHCBDCPDKOB-SDDRHHMPSA-N 1 1 304.354 -1.158 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)cc1=O ZINC001032453009 663510900 /nfs/dbraw/zinc/51/09/00/663510900.db2.gz QEGQIKBUBOQVAN-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)cc1=O ZINC001032453009 663510902 /nfs/dbraw/zinc/51/09/02/663510902.db2.gz QEGQIKBUBOQVAN-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032452450 663511057 /nfs/dbraw/zinc/51/10/57/663511057.db2.gz ZCZOOJGEMCTVHI-AATLWQCWSA-N 1 1 321.337 -2.242 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032452450 663511061 /nfs/dbraw/zinc/51/10/61/663511061.db2.gz ZCZOOJGEMCTVHI-AATLWQCWSA-N 1 1 321.337 -2.242 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032458078 663511115 /nfs/dbraw/zinc/51/11/15/663511115.db2.gz AXDRNTFPUJJABA-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032458078 663511116 /nfs/dbraw/zinc/51/11/16/663511116.db2.gz AXDRNTFPUJJABA-QWRGUYRKSA-N 1 1 323.397 -1.192 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001032452973 663511172 /nfs/dbraw/zinc/51/11/72/663511172.db2.gz MBMWPGAIACBIGH-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)cc1=O ZINC001032453011 663511257 /nfs/dbraw/zinc/51/12/57/663511257.db2.gz QEGQIKBUBOQVAN-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)cc1=O ZINC001032453011 663511260 /nfs/dbraw/zinc/51/12/60/663511260.db2.gz QEGQIKBUBOQVAN-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032448453 663511449 /nfs/dbraw/zinc/51/14/49/663511449.db2.gz OIGSIFLKAKIJKS-SDDRHHMPSA-N 1 1 322.365 -1.981 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032448453 663511450 /nfs/dbraw/zinc/51/14/50/663511450.db2.gz OIGSIFLKAKIJKS-SDDRHHMPSA-N 1 1 322.365 -1.981 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001015991982 663511800 /nfs/dbraw/zinc/51/18/00/663511800.db2.gz JIDUFDGDAGBPJK-SECBINFHSA-N 1 1 306.326 -1.396 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001015991985 663511833 /nfs/dbraw/zinc/51/18/33/663511833.db2.gz JIDUFDGDAGBPJK-VIFPVBQESA-N 1 1 306.326 -1.396 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CCNC(=O)C3)C2)C1 ZINC000997395185 663512729 /nfs/dbraw/zinc/51/27/29/663512729.db2.gz FSDYRROHFDIEBX-NSHDSACASA-N 1 1 323.397 -2.303 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997433724 663513422 /nfs/dbraw/zinc/51/34/22/663513422.db2.gz ZURDOKZRAFCIOH-LLVKDONJSA-N 1 1 305.338 -1.345 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)O1 ZINC000997432657 663513462 /nfs/dbraw/zinc/51/34/62/663513462.db2.gz HORKTAYVQWUWIN-YUSALJHKSA-N 1 1 324.381 -1.831 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)O1 ZINC000997432657 663513465 /nfs/dbraw/zinc/51/34/65/663513465.db2.gz HORKTAYVQWUWIN-YUSALJHKSA-N 1 1 324.381 -1.831 20 0 DAADMO Cn1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c[nH]c1=O ZINC000997433459 663513477 /nfs/dbraw/zinc/51/34/77/663513477.db2.gz JNXAQNHYNLYKNN-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1c(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c[nH]c1=O ZINC000997433459 663513478 /nfs/dbraw/zinc/51/34/78/663513478.db2.gz JNXAQNHYNLYKNN-NSHDSACASA-N 1 1 323.353 -1.603 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC000997437406 663513917 /nfs/dbraw/zinc/51/39/17/663513917.db2.gz VPDUTTYNAOGIAH-GFCCVEGCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997413956 663515556 /nfs/dbraw/zinc/51/55/56/663515556.db2.gz AKGSPYGQKQEYEJ-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997428745 663516924 /nfs/dbraw/zinc/51/69/24/663516924.db2.gz ZYJHFFJSPFIFCL-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000997451240 663519088 /nfs/dbraw/zinc/51/90/88/663519088.db2.gz MCCNFLVAYHHMNY-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)CC[N@H+]1C ZINC000997452447 663519472 /nfs/dbraw/zinc/51/94/72/663519472.db2.gz QZCODMMBRFXDIN-JLLWLGSASA-N 1 1 323.397 -1.323 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)NC1=O ZINC000997452132 663519621 /nfs/dbraw/zinc/51/96/21/663519621.db2.gz QHLLPKOTXHGQIB-GFCCVEGCSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[N@H+]1CCO ZINC000947925223 663519768 /nfs/dbraw/zinc/51/97/68/663519768.db2.gz LVZXYRPTCOEWTG-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC1=O ZINC001032483128 663519802 /nfs/dbraw/zinc/51/98/02/663519802.db2.gz QYRMBJGRQUTLHE-STQMWFEESA-N 1 1 310.398 -1.572 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)c1=O ZINC001032486113 663520466 /nfs/dbraw/zinc/52/04/66/663520466.db2.gz KGLJMSSGKIMNOS-GARJFASQSA-N 1 1 320.353 -2.245 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)c1=O ZINC001032486113 663520468 /nfs/dbraw/zinc/52/04/68/663520468.db2.gz KGLJMSSGKIMNOS-GARJFASQSA-N 1 1 320.353 -2.245 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001032503047 663521536 /nfs/dbraw/zinc/52/15/36/663521536.db2.gz BEPPCMQIZRJPHP-QWRGUYRKSA-N 1 1 308.338 -1.120 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)nn1-c1nc[nH]n1 ZINC001032550905 663526292 /nfs/dbraw/zinc/52/62/92/663526292.db2.gz HQOUSNREPPCBPU-UWVGGRQHSA-N 1 1 318.341 -1.415 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)nn1-c1nc[nH]n1 ZINC001032550905 663526294 /nfs/dbraw/zinc/52/62/94/663526294.db2.gz HQOUSNREPPCBPU-UWVGGRQHSA-N 1 1 318.341 -1.415 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c1=O ZINC001032556910 663526677 /nfs/dbraw/zinc/52/66/77/663526677.db2.gz CKUOYSXDMVSYSW-UWVGGRQHSA-N 1 1 308.338 -1.233 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032558895 663527470 /nfs/dbraw/zinc/52/74/70/663527470.db2.gz NOASHAXHEMZJMX-RDBSUJKOSA-N 1 1 322.409 -1.260 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1nnc[nH]1 ZINC000997818495 663527488 /nfs/dbraw/zinc/52/74/88/663527488.db2.gz WNZBGCNERFUVHF-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1ncn[nH]1 ZINC000997818495 663527490 /nfs/dbraw/zinc/52/74/90/663527490.db2.gz WNZBGCNERFUVHF-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1ncn[nH]1 ZINC000997818495 663527493 /nfs/dbraw/zinc/52/74/93/663527493.db2.gz WNZBGCNERFUVHF-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)c1nc[nH]n1 ZINC000997818495 663527494 /nfs/dbraw/zinc/52/74/94/663527494.db2.gz WNZBGCNERFUVHF-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1nc[nH]n1 ZINC000997818495 663527496 /nfs/dbraw/zinc/52/74/96/663527496.db2.gz WNZBGCNERFUVHF-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000997861922 663528856 /nfs/dbraw/zinc/52/88/56/663528856.db2.gz AJRRLSOXKZLJJE-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000997861922 663528858 /nfs/dbraw/zinc/52/88/58/663528858.db2.gz AJRRLSOXKZLJJE-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC000997874080 663529670 /nfs/dbraw/zinc/52/96/70/663529670.db2.gz XCJJFVFXGKFHJX-WPRPVWTQSA-N 1 1 307.358 -1.652 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032561716 663530932 /nfs/dbraw/zinc/53/09/32/663530932.db2.gz XYOLROGYEMLBLI-SRVKXCTJSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032561716 663530939 /nfs/dbraw/zinc/53/09/39/663530939.db2.gz XYOLROGYEMLBLI-SRVKXCTJSA-N 1 1 321.381 -1.567 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cncn2)NC1=O ZINC001032563199 663531379 /nfs/dbraw/zinc/53/13/79/663531379.db2.gz RBMHPIFBPMFIRD-SDDRHHMPSA-N 1 1 319.369 -1.413 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cncn2)NC1=O ZINC001032563199 663531382 /nfs/dbraw/zinc/53/13/82/663531382.db2.gz RBMHPIFBPMFIRD-SDDRHHMPSA-N 1 1 319.369 -1.413 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCN(C)C2=O)n1 ZINC001032572814 663531457 /nfs/dbraw/zinc/53/14/57/663531457.db2.gz BDKPSAVBEYQXGS-DCAQKATOSA-N 1 1 319.369 -1.270 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCCN(C)C2=O)n1 ZINC001032572814 663531460 /nfs/dbraw/zinc/53/14/60/663531460.db2.gz BDKPSAVBEYQXGS-DCAQKATOSA-N 1 1 319.369 -1.270 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032572044 663531570 /nfs/dbraw/zinc/53/15/70/663531570.db2.gz FFGDNQVYMPHGRG-XHNCKOQMSA-N 1 1 319.325 -2.086 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032572044 663531572 /nfs/dbraw/zinc/53/15/72/663531572.db2.gz FFGDNQVYMPHGRG-XHNCKOQMSA-N 1 1 319.325 -2.086 20 0 DAADMO Cc1cnn(C)c1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000997900769 663531611 /nfs/dbraw/zinc/53/16/11/663531611.db2.gz XKMSIWYIJHVHEL-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cnn(C)c1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000997900769 663531616 /nfs/dbraw/zinc/53/16/16/663531616.db2.gz XKMSIWYIJHVHEL-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997924582 663532542 /nfs/dbraw/zinc/53/25/42/663532542.db2.gz IDXYZMMZJSPGOB-QNWHQSFQSA-N 1 1 309.366 -1.464 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC000997924582 663532546 /nfs/dbraw/zinc/53/25/46/663532546.db2.gz IDXYZMMZJSPGOB-QNWHQSFQSA-N 1 1 309.366 -1.464 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000997947592 663533915 /nfs/dbraw/zinc/53/39/15/663533915.db2.gz JQZAKTORJSLRKP-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1cc(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)cn1 ZINC001032590480 663534158 /nfs/dbraw/zinc/53/41/58/663534158.db2.gz IVMOAQAMJBASNY-GMXVVIOVSA-N 1 1 319.365 -1.028 20 0 DAADMO Cn1cc(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)cn1 ZINC001032590480 663534159 /nfs/dbraw/zinc/53/41/59/663534159.db2.gz IVMOAQAMJBASNY-GMXVVIOVSA-N 1 1 319.365 -1.028 20 0 DAADMO Cn1cc(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)cn1 ZINC001032590481 663534520 /nfs/dbraw/zinc/53/45/20/663534520.db2.gz IVMOAQAMJBASNY-GVXVVHGQSA-N 1 1 319.365 -1.028 20 0 DAADMO Cn1cc(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)cn1 ZINC001032590481 663534522 /nfs/dbraw/zinc/53/45/22/663534522.db2.gz IVMOAQAMJBASNY-GVXVVHGQSA-N 1 1 319.365 -1.028 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)C3(C(N)=O)CC3)CC2)n1 ZINC000998023830 663534912 /nfs/dbraw/zinc/53/49/12/663534912.db2.gz AOBAPRIGVXTTFC-UHFFFAOYSA-N 1 1 321.385 -1.196 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032595144 663535423 /nfs/dbraw/zinc/53/54/23/663535423.db2.gz HGOWBBZKQNTXOO-SRVKXCTJSA-N 1 1 304.354 -1.150 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032595144 663535425 /nfs/dbraw/zinc/53/54/25/663535425.db2.gz HGOWBBZKQNTXOO-SRVKXCTJSA-N 1 1 304.354 -1.150 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001032597415 663535609 /nfs/dbraw/zinc/53/56/09/663535609.db2.gz PTRSFNLXUNZQRH-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001032597415 663535611 /nfs/dbraw/zinc/53/56/11/663535611.db2.gz PTRSFNLXUNZQRH-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1C(=O)CNC1=O ZINC001032598629 663536444 /nfs/dbraw/zinc/53/64/44/663536444.db2.gz PEOCLEOVCPLKKQ-IUCAKERBSA-N 1 1 309.326 -2.301 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1C(=O)CNC1=O ZINC001032598629 663536447 /nfs/dbraw/zinc/53/64/47/663536447.db2.gz PEOCLEOVCPLKKQ-IUCAKERBSA-N 1 1 309.326 -2.301 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000998123659 663536588 /nfs/dbraw/zinc/53/65/88/663536588.db2.gz FGSWJIRCHFBSKH-LBPRGKRZSA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000998123659 663536591 /nfs/dbraw/zinc/53/65/91/663536591.db2.gz FGSWJIRCHFBSKH-LBPRGKRZSA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000998132187 663536602 /nfs/dbraw/zinc/53/66/02/663536602.db2.gz NQFARFNLTWXYHT-NSHDSACASA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000998132187 663536605 /nfs/dbraw/zinc/53/66/05/663536605.db2.gz NQFARFNLTWXYHT-NSHDSACASA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000998131390 663536645 /nfs/dbraw/zinc/53/66/45/663536645.db2.gz ICMFACZSYVLHJE-NSHDSACASA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3nc[nH]n3)C2)C1 ZINC000998131390 663536648 /nfs/dbraw/zinc/53/66/48/663536648.db2.gz ICMFACZSYVLHJE-NSHDSACASA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC000946471162 663536733 /nfs/dbraw/zinc/53/67/33/663536733.db2.gz ARTMMRXMHRLHNY-SDDRHHMPSA-N 1 1 321.385 -1.283 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998102791 663536891 /nfs/dbraw/zinc/53/68/91/663536891.db2.gz NKZRITQMMVVAAL-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000998123656 663536937 /nfs/dbraw/zinc/53/69/37/663536937.db2.gz FGSWJIRCHFBSKH-GFCCVEGCSA-N 1 1 322.369 -1.146 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000998123656 663536938 /nfs/dbraw/zinc/53/69/38/663536938.db2.gz FGSWJIRCHFBSKH-GFCCVEGCSA-N 1 1 322.369 -1.146 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)[nH]c1=O ZINC001032604623 663537369 /nfs/dbraw/zinc/53/73/69/663537369.db2.gz IBARWKCBJSGDRU-QXEWZRGKSA-N 1 1 305.338 -1.087 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)[nH]c1=O ZINC001032604623 663537373 /nfs/dbraw/zinc/53/73/73/663537373.db2.gz IBARWKCBJSGDRU-QXEWZRGKSA-N 1 1 305.338 -1.087 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)[nH]c1=O ZINC001032604622 663537448 /nfs/dbraw/zinc/53/74/48/663537448.db2.gz IBARWKCBJSGDRU-ATZCPNFKSA-N 1 1 305.338 -1.087 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)[nH]c1=O ZINC001032604622 663537449 /nfs/dbraw/zinc/53/74/49/663537449.db2.gz IBARWKCBJSGDRU-ATZCPNFKSA-N 1 1 305.338 -1.087 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998169434 663537885 /nfs/dbraw/zinc/53/78/85/663537885.db2.gz KYAWPLNGJGWJHE-NHCYSSNCSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)CCC(=O)N1 ZINC001032609479 663538477 /nfs/dbraw/zinc/53/84/77/663538477.db2.gz VFMSRUJJGXPLGQ-VEABSNGSSA-N 1 1 306.366 -1.171 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)CCC(=O)N1 ZINC001032609479 663538479 /nfs/dbraw/zinc/53/84/79/663538479.db2.gz VFMSRUJJGXPLGQ-VEABSNGSSA-N 1 1 306.366 -1.171 20 0 DAADMO CO[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(N)=O ZINC000946496643 663539257 /nfs/dbraw/zinc/53/92/57/663539257.db2.gz QOFILGXXULVTOK-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)C(N)=O ZINC000946500079 663540233 /nfs/dbraw/zinc/54/02/33/663540233.db2.gz KMKBPGJIIQILAQ-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000946509565 663540992 /nfs/dbraw/zinc/54/09/92/663540992.db2.gz WECHAZLBBSJTMI-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001032631262 663541179 /nfs/dbraw/zinc/54/11/79/663541179.db2.gz KDTUOUPXHHCRIZ-RWMBFGLXSA-N 1 1 318.381 -1.079 20 0 DAADMO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001032631262 663541180 /nfs/dbraw/zinc/54/11/80/663541180.db2.gz KDTUOUPXHHCRIZ-RWMBFGLXSA-N 1 1 318.381 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998385658 663541485 /nfs/dbraw/zinc/54/14/85/663541485.db2.gz ZGXKUMCKCHLRAD-NSHDSACASA-N 1 1 307.354 -1.390 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC000998385658 663541487 /nfs/dbraw/zinc/54/14/87/663541487.db2.gz ZGXKUMCKCHLRAD-NSHDSACASA-N 1 1 307.354 -1.390 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000998467985 663543222 /nfs/dbraw/zinc/54/32/22/663543222.db2.gz AZWXTEWNRIJJID-UHFFFAOYSA-N 1 1 314.305 -1.307 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998571812 663544348 /nfs/dbraw/zinc/54/43/48/663544348.db2.gz SSTHBNDZNQPQNT-LLVKDONJSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998651942 663544967 /nfs/dbraw/zinc/54/49/67/663544967.db2.gz SCDALUCAEOVUQV-UHFFFAOYSA-N 1 1 320.357 -1.109 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998676330 663547163 /nfs/dbraw/zinc/54/71/63/663547163.db2.gz BAIDXLFQTVZJPQ-QJPTWQEYSA-N 1 1 323.397 -1.275 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998678535 663548168 /nfs/dbraw/zinc/54/81/68/663548168.db2.gz KFZIGUUBNZGMAF-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998677430 663548285 /nfs/dbraw/zinc/54/82/85/663548285.db2.gz FLCOOZRIZHTYEI-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998678133 663548425 /nfs/dbraw/zinc/54/84/25/663548425.db2.gz LPHRINSTYJZJAL-KOLCDFICSA-N 1 1 309.370 -1.663 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998680553 663548866 /nfs/dbraw/zinc/54/88/66/663548866.db2.gz QCXAURNZLAUVPW-JTQLQIEISA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998680560 663549030 /nfs/dbraw/zinc/54/90/30/663549030.db2.gz QCXAURNZLAUVPW-SNVBAGLBSA-N 1 1 306.326 -1.800 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998707134 663549485 /nfs/dbraw/zinc/54/94/85/663549485.db2.gz AJLHBPGPLRUEGC-AMDVSUOASA-N 1 1 309.330 -1.603 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)o1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998693081 663549492 /nfs/dbraw/zinc/54/94/92/663549492.db2.gz AWICZBVUJMLWAG-UHFFFAOYSA-N 1 1 321.341 -1.105 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(NC(=O)C(N)=O)C1)CC2 ZINC000998706900 663549556 /nfs/dbraw/zinc/54/95/56/663549556.db2.gz BUPVAQDIXXMKIE-SECBINFHSA-N 1 1 305.338 -1.434 20 0 DAADMO NC(=O)C(=O)NC1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000998715152 663550292 /nfs/dbraw/zinc/55/02/92/663550292.db2.gz NYHRQVJAVJRUOF-UHFFFAOYSA-N 1 1 321.337 -1.304 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC(NC(=O)C(N)=O)C1)C2 ZINC000998716143 663550817 /nfs/dbraw/zinc/55/08/17/663550817.db2.gz WKLMBYNXOIYVPD-VIFPVBQESA-N 1 1 305.338 -1.434 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000998766031 663551985 /nfs/dbraw/zinc/55/19/85/663551985.db2.gz SIINOSHVJJXZQO-SECBINFHSA-N 1 1 317.357 -1.023 20 0 DAADMO CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000998785617 663552422 /nfs/dbraw/zinc/55/24/22/663552422.db2.gz ZBGHHFRHZUWVPN-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO CCn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000998785617 663552424 /nfs/dbraw/zinc/55/24/24/663552424.db2.gz ZBGHHFRHZUWVPN-GFCCVEGCSA-N 1 1 322.369 -1.431 20 0 DAADMO Cc1nonc1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998903144 663553204 /nfs/dbraw/zinc/55/32/04/663553204.db2.gz SVOMQOUDYFBXLQ-GFCCVEGCSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nonc1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998903144 663553205 /nfs/dbraw/zinc/55/32/05/663553205.db2.gz SVOMQOUDYFBXLQ-GFCCVEGCSA-N 1 1 323.353 -1.422 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998957729 663553636 /nfs/dbraw/zinc/55/36/36/663553636.db2.gz RKDVHNORMZMULF-SECBINFHSA-N 1 1 321.345 -1.712 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000999024896 663554486 /nfs/dbraw/zinc/55/44/86/663554486.db2.gz LLJOABSQVZKDSA-LBPRGKRZSA-N 1 1 321.385 -1.231 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)C1CC([NH2+]Cc2cnon2)C1 ZINC000999016056 663554533 /nfs/dbraw/zinc/55/45/33/663554533.db2.gz PAMVFOMNIFJHSA-UHFFFAOYSA-N 1 1 321.341 -1.256 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC000999008233 663554570 /nfs/dbraw/zinc/55/45/70/663554570.db2.gz HAXZVAFSLQMWKA-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)c1N ZINC000998988623 663554837 /nfs/dbraw/zinc/55/48/37/663554837.db2.gz HIJBJSAVGASABZ-SECBINFHSA-N 1 1 319.373 -1.080 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999059059 663555410 /nfs/dbraw/zinc/55/54/10/663555410.db2.gz PCFPMOVYWDJOAD-DTWKUNHWSA-N 1 1 309.330 -1.601 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999059061 663555425 /nfs/dbraw/zinc/55/54/25/663555425.db2.gz PCFPMOVYWDJOAD-RKDXNWHRSA-N 1 1 309.330 -1.601 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC000999082477 663555432 /nfs/dbraw/zinc/55/54/32/663555432.db2.gz YKKJYTUKANCZFF-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]c1=O ZINC000999065447 663556219 /nfs/dbraw/zinc/55/62/19/663556219.db2.gz ZVXXZUQKFWMDQA-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]c1=O ZINC000999065447 663556220 /nfs/dbraw/zinc/55/62/20/663556220.db2.gz ZVXXZUQKFWMDQA-LLVKDONJSA-N 1 1 323.353 -1.603 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)Cn3ncnn3)C2)nn1 ZINC000999161699 663556527 /nfs/dbraw/zinc/55/65/27/663556527.db2.gz KNLJBPGWUVBPQI-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000890059492 663556555 /nfs/dbraw/zinc/55/65/55/663556555.db2.gz IMKLLLNTTYBYSN-LLVKDONJSA-N 1 1 319.431 -1.128 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999159667 663556563 /nfs/dbraw/zinc/55/65/63/663556563.db2.gz BPTCBNNEFDDKIX-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999165666 663556678 /nfs/dbraw/zinc/55/66/78/663556678.db2.gz UTEKOMYCLOPHLE-VIFPVBQESA-N 1 1 306.334 -2.023 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC000999167229 663557218 /nfs/dbraw/zinc/55/72/18/663557218.db2.gz ZIZQDJMXFFLRNH-VHSXEESVSA-N 1 1 320.361 -1.462 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001032652904 663557297 /nfs/dbraw/zinc/55/72/97/663557297.db2.gz FXFPBMYGLJYKKQ-NAKRPEOUSA-N 1 1 310.354 -1.096 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)Cn3ncnn3)C2)[nH]1 ZINC000999168388 663557455 /nfs/dbraw/zinc/55/74/55/663557455.db2.gz AUMXJYDUMVDCKE-SNVBAGLBSA-N 1 1 305.346 -1.120 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032661031 663557680 /nfs/dbraw/zinc/55/76/80/663557680.db2.gz NOSGNWLNIXOFTG-QWRGUYRKSA-N 1 1 318.337 -1.832 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032661031 663557682 /nfs/dbraw/zinc/55/76/82/663557682.db2.gz NOSGNWLNIXOFTG-QWRGUYRKSA-N 1 1 318.337 -1.832 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1=O ZINC001032662335 663557692 /nfs/dbraw/zinc/55/76/92/663557692.db2.gz KEUGPXQXGZHLJG-IUCAKERBSA-N 1 1 310.310 -2.316 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1=O ZINC001032662335 663557694 /nfs/dbraw/zinc/55/76/94/663557694.db2.gz KEUGPXQXGZHLJG-IUCAKERBSA-N 1 1 310.310 -2.316 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c(=O)n(C)c1=O ZINC001032661638 663557916 /nfs/dbraw/zinc/55/79/16/663557916.db2.gz YKIJDWWEELUOGV-QWRGUYRKSA-N 1 1 322.365 -1.635 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032686206 663558433 /nfs/dbraw/zinc/55/84/33/663558433.db2.gz IRLFZBNVOOHPOW-QWRGUYRKSA-N 1 1 308.338 -1.796 20 0 DAADMO C[C@H]([NH2+]C1CC(N(C)C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC000999252941 663558481 /nfs/dbraw/zinc/55/84/81/663558481.db2.gz HPWNEDODFMTKJT-UEJVZZJDSA-N 1 1 320.361 -1.313 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032699195 663558911 /nfs/dbraw/zinc/55/89/11/663558911.db2.gz HMCCYMBRTNOMDG-RYUDHWBXSA-N 1 1 317.357 -1.360 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032699195 663558912 /nfs/dbraw/zinc/55/89/12/663558912.db2.gz HMCCYMBRTNOMDG-RYUDHWBXSA-N 1 1 317.357 -1.360 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032698077 663559251 /nfs/dbraw/zinc/55/92/51/663559251.db2.gz DQNBVUMXXIIYRN-GARJFASQSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032698077 663559252 /nfs/dbraw/zinc/55/92/52/663559252.db2.gz DQNBVUMXXIIYRN-GARJFASQSA-N 1 1 305.342 -1.763 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140830 663559548 /nfs/dbraw/zinc/55/95/48/663559548.db2.gz KRNAJXNPSHFFHS-MWLCHTKSSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140830 663559550 /nfs/dbraw/zinc/55/95/50/663559550.db2.gz KRNAJXNPSHFFHS-MWLCHTKSSA-N 1 1 324.385 -1.785 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999289628 663559763 /nfs/dbraw/zinc/55/97/63/663559763.db2.gz IFNPDPJZGOMYLP-VQXHTEKXSA-N 1 1 321.385 -1.090 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)C1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999269817 663559951 /nfs/dbraw/zinc/55/99/51/663559951.db2.gz IRECDKFNMHBQGS-VQXHTEKXSA-N 1 1 321.385 -1.233 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC000999543480 663561582 /nfs/dbraw/zinc/56/15/82/663561582.db2.gz XBJMCUSHGLPBSS-SNVBAGLBSA-N 1 1 321.341 -1.254 20 0 DAADMO CN(C(=O)[C@H]1CCc2[nH]nnc2C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999681729 663562761 /nfs/dbraw/zinc/56/27/61/663562761.db2.gz AIFZNSZULHZNRY-IDKOKCKLSA-N 1 1 306.370 -1.026 20 0 DAADMO CN(C(=O)[C@H]1CCc2nn[nH]c2C1)C1CC([NH2+]CC(N)=O)C1 ZINC000999681729 663562762 /nfs/dbraw/zinc/56/27/62/663562762.db2.gz AIFZNSZULHZNRY-IDKOKCKLSA-N 1 1 306.370 -1.026 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC000999797174 663564668 /nfs/dbraw/zinc/56/46/68/663564668.db2.gz KLJNUJXBRKFPHJ-NHYWBVRUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000999847614 663566745 /nfs/dbraw/zinc/56/67/45/663566745.db2.gz LJPOGYPPQBSLAW-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000999856794 663566950 /nfs/dbraw/zinc/56/69/50/663566950.db2.gz JXHKLSYFGFUVKK-GXSJLCMTSA-N 1 1 309.370 -1.521 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC000999889672 663567370 /nfs/dbraw/zinc/56/73/70/663567370.db2.gz JAKLGFIPKSWDLE-VWYCJHECSA-N 1 1 305.338 -1.075 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000999886930 663567559 /nfs/dbraw/zinc/56/75/59/663567559.db2.gz QOKPKTHXGHXBNW-ZYHUDNBSSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000999888279 663567570 /nfs/dbraw/zinc/56/75/70/663567570.db2.gz GJPZGPRLXSPAQS-ONGXEEELSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000999889511 663567594 /nfs/dbraw/zinc/56/75/94/663567594.db2.gz WGEQXTRAYYSGKM-ONGXEEELSA-N 1 1 319.365 -1.092 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC000999889743 663567635 /nfs/dbraw/zinc/56/76/35/663567635.db2.gz KIVUIFANGJDOSC-PWSUYJOCSA-N 1 1 321.385 -1.081 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1 ZINC000999889096 663567671 /nfs/dbraw/zinc/56/76/71/663567671.db2.gz DKEBWPXVZXOCSB-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(N)=O)C3)C1 ZINC000999889096 663567674 /nfs/dbraw/zinc/56/76/74/663567674.db2.gz DKEBWPXVZXOCSB-RHYQMDGZSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2cnn(C)n2)C1 ZINC000999888276 663567691 /nfs/dbraw/zinc/56/76/91/663567691.db2.gz GJPZGPRLXSPAQS-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC000999889714 663567799 /nfs/dbraw/zinc/56/77/99/663567799.db2.gz JXIDHBORMYXSDA-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2cnnn2C)C1 ZINC000999887540 663567850 /nfs/dbraw/zinc/56/78/50/663567850.db2.gz FEIHLOLDTZWLFL-KOLCDFICSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999872467 663567954 /nfs/dbraw/zinc/56/79/54/663567954.db2.gz UHYXOLCNPWKHNJ-JLLWLGSASA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000999868511 663567970 /nfs/dbraw/zinc/56/79/70/663567970.db2.gz GQYSKDFKLQMNMG-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999872471 663568405 /nfs/dbraw/zinc/56/84/05/663568405.db2.gz UHYXOLCNPWKHNJ-WCQGTBRESA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000999880974 663568675 /nfs/dbraw/zinc/56/86/75/663568675.db2.gz LLKNQDIJJBCUJI-KOLCDFICSA-N 1 1 317.411 -1.444 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000999877194 663568710 /nfs/dbraw/zinc/56/87/10/663568710.db2.gz MPJVCOKVIZGOIR-VIFPVBQESA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000999877193 663568789 /nfs/dbraw/zinc/56/87/89/663568789.db2.gz MPJVCOKVIZGOIR-SECBINFHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC000999881870 663568875 /nfs/dbraw/zinc/56/88/75/663568875.db2.gz FTFHHQYTUNNCNA-ZYHUDNBSSA-N 1 1 306.370 -1.197 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)C2 ZINC000999877576 663568900 /nfs/dbraw/zinc/56/89/00/663568900.db2.gz OXYHOAPDSWLFEZ-SNVBAGLBSA-N 1 1 319.365 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000999880976 663569066 /nfs/dbraw/zinc/56/90/66/663569066.db2.gz LLKNQDIJJBCUJI-MWLCHTKSSA-N 1 1 317.411 -1.444 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999883741 663569095 /nfs/dbraw/zinc/56/90/95/663569095.db2.gz KOPWYWFLHRSTBA-PWSUYJOCSA-N 1 1 321.385 -1.412 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999940129 663569180 /nfs/dbraw/zinc/56/91/80/663569180.db2.gz QZHUPNOMIXDSCH-GRYCIOLGSA-N 1 1 324.381 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000999940129 663569184 /nfs/dbraw/zinc/56/91/84/663569184.db2.gz QZHUPNOMIXDSCH-GRYCIOLGSA-N 1 1 324.381 -1.845 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999914888 663569358 /nfs/dbraw/zinc/56/93/58/663569358.db2.gz AKNVCDBOMYPNTF-GRYCIOLGSA-N 1 1 308.382 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000999913760 663569369 /nfs/dbraw/zinc/56/93/69/663569369.db2.gz LKNKKXJHTDGSDH-QWRGUYRKSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000999923992 663570277 /nfs/dbraw/zinc/57/02/77/663570277.db2.gz VUODNEUUXLBLCP-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC000999958662 663571266 /nfs/dbraw/zinc/57/12/66/663571266.db2.gz CGZHRSHBWGKWJC-RYUDHWBXSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC000999958662 663571270 /nfs/dbraw/zinc/57/12/70/663571270.db2.gz CGZHRSHBWGKWJC-RYUDHWBXSA-N 1 1 322.369 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962955 663571299 /nfs/dbraw/zinc/57/12/99/663571299.db2.gz OZLJPHSCFUAYCQ-JQWIXIFHSA-N 1 1 322.369 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCOC3)nn2)C1 ZINC000999962955 663571300 /nfs/dbraw/zinc/57/13/00/663571300.db2.gz OZLJPHSCFUAYCQ-JQWIXIFHSA-N 1 1 322.369 -1.337 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999940944 663571363 /nfs/dbraw/zinc/57/13/63/663571363.db2.gz MGEINQJIYXVSNA-KGYLQXTDSA-N 1 1 322.409 -1.011 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999955857 663571399 /nfs/dbraw/zinc/57/13/99/663571399.db2.gz MDXWIZMZUJFWBK-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn[nH]3)nn2)C1 ZINC000999955857 663571403 /nfs/dbraw/zinc/57/14/03/663571403.db2.gz MDXWIZMZUJFWBK-JTQLQIEISA-N 1 1 318.341 -1.337 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962956 663571447 /nfs/dbraw/zinc/57/14/47/663571447.db2.gz OZLJPHSCFUAYCQ-PWSUYJOCSA-N 1 1 322.369 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCOC3)nn2)C1 ZINC000999962956 663571451 /nfs/dbraw/zinc/57/14/51/663571451.db2.gz OZLJPHSCFUAYCQ-PWSUYJOCSA-N 1 1 322.369 -1.337 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC000999948725 663571546 /nfs/dbraw/zinc/57/15/46/663571546.db2.gz OTMKPYDKOONOIO-MNOVXSKESA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC000999957695 663571561 /nfs/dbraw/zinc/57/15/61/663571561.db2.gz WZNZPNBNICAWMH-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC000999957695 663571563 /nfs/dbraw/zinc/57/15/63/663571563.db2.gz WZNZPNBNICAWMH-JTQLQIEISA-N 1 1 319.325 -1.072 20 0 DAADMO Cn1nncc1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC000999985157 663571981 /nfs/dbraw/zinc/57/19/81/663571981.db2.gz OFNKFDBFXLBPRE-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001000017935 663572164 /nfs/dbraw/zinc/57/21/64/663572164.db2.gz WAMQOZDNAQETGU-WDEREUQCSA-N 1 1 307.358 -1.158 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@H]1COC(=O)N1 ZINC000999988369 663572388 /nfs/dbraw/zinc/57/23/88/663572388.db2.gz BRQLJXZCXOEKPE-GHMZBOCLSA-N 1 1 324.341 -1.758 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@H]3CC[N@H+](CCF)C3)nn2)n1 ZINC001000018636 663572424 /nfs/dbraw/zinc/57/24/24/663572424.db2.gz YTUFBJIHFZNLPC-JTQLQIEISA-N 1 1 323.336 -1.052 20 0 DAADMO Cn1nnc(C(=O)NCc2cn([C@H]3CC[N@@H+](CCF)C3)nn2)n1 ZINC001000018636 663572429 /nfs/dbraw/zinc/57/24/29/663572429.db2.gz YTUFBJIHFZNLPC-JTQLQIEISA-N 1 1 323.336 -1.052 20 0 DAADMO CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001000017932 663572454 /nfs/dbraw/zinc/57/24/54/663572454.db2.gz WAMQOZDNAQETGU-QWRGUYRKSA-N 1 1 307.358 -1.158 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000999983675 663572650 /nfs/dbraw/zinc/57/26/50/663572650.db2.gz LKNKKXJHTDGSDH-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000047788 663573138 /nfs/dbraw/zinc/57/31/38/663573138.db2.gz IKXRRDUXOBOPOC-NXEZZACHSA-N 1 1 307.358 -1.423 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001000058019 663573341 /nfs/dbraw/zinc/57/33/41/663573341.db2.gz PGSYFUBGSINWIE-VIFPVBQESA-N 1 1 308.342 -1.626 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)[nH]1 ZINC001000046934 663573514 /nfs/dbraw/zinc/57/35/14/663573514.db2.gz GBQGKLRPQKOERL-NXEZZACHSA-N 1 1 307.358 -1.125 20 0 DAADMO Cn1ncc(C(=O)NCc2cn([C@@H]3CC[N@@H+](CCO)C3)nn2)n1 ZINC001000031196 663574071 /nfs/dbraw/zinc/57/40/71/663574071.db2.gz WQFHLHGWLIJXLN-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@@H]1CCC(=O)N1 ZINC001000036947 663574088 /nfs/dbraw/zinc/57/40/88/663574088.db2.gz VXOUOXZCOJEWDP-RYUDHWBXSA-N 1 1 322.369 -1.588 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000039069 663574125 /nfs/dbraw/zinc/57/41/25/663574125.db2.gz SZCNBGNFSXWVLS-DTWKUNHWSA-N 1 1 308.346 -2.028 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000035785 663574390 /nfs/dbraw/zinc/57/43/90/663574390.db2.gz MQAYQIKEXYPKTO-VIFPVBQESA-N 1 1 320.313 -1.677 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001000035785 663574396 /nfs/dbraw/zinc/57/43/96/663574396.db2.gz MQAYQIKEXYPKTO-VIFPVBQESA-N 1 1 320.313 -1.677 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CC(=O)N(C)C1=O ZINC001032729308 663576404 /nfs/dbraw/zinc/57/64/04/663576404.db2.gz YLOVKXRQHCIKRI-DCAQKATOSA-N 1 1 310.354 -1.454 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032730125 663576669 /nfs/dbraw/zinc/57/66/69/663576669.db2.gz VUKRHMLQBHYXDW-YUMQZZPRSA-N 1 1 310.310 -1.213 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032730125 663576671 /nfs/dbraw/zinc/57/66/71/663576671.db2.gz VUKRHMLQBHYXDW-YUMQZZPRSA-N 1 1 310.310 -1.213 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032730770 663576896 /nfs/dbraw/zinc/57/68/96/663576896.db2.gz PIVUTFZTSOOKHN-UWVGGRQHSA-N 1 1 318.337 -1.301 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)CC[C@@H]2C1 ZINC000946527079 663577038 /nfs/dbraw/zinc/57/70/38/663577038.db2.gz ZZJNSHOYTDVCMS-PHIMTYICSA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)CC[C@@H]2C1 ZINC000946527079 663577040 /nfs/dbraw/zinc/57/70/40/663577040.db2.gz ZZJNSHOYTDVCMS-PHIMTYICSA-N 1 1 321.385 -1.244 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001000135691 663577828 /nfs/dbraw/zinc/57/78/28/663577828.db2.gz QQDHYXWNSRLTJV-SNVBAGLBSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001000136698 663578537 /nfs/dbraw/zinc/57/85/37/663578537.db2.gz UIDMIUHDFRZWMJ-SECBINFHSA-N 1 1 323.353 -2.183 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032741028 663579130 /nfs/dbraw/zinc/57/91/30/663579130.db2.gz SRVOWOQXLRILLD-BJDJZHNGSA-N 1 1 306.366 -1.171 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032740726 663579240 /nfs/dbraw/zinc/57/92/40/663579240.db2.gz DYLISUWRZBNBLL-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032740726 663579241 /nfs/dbraw/zinc/57/92/41/663579241.db2.gz DYLISUWRZBNBLL-SRVKXCTJSA-N 1 1 321.381 -1.425 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001032742463 663579285 /nfs/dbraw/zinc/57/92/85/663579285.db2.gz LZBHFLGYBHULFE-FIQHERPVSA-N 1 1 306.366 -1.219 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001032742463 663579287 /nfs/dbraw/zinc/57/92/87/663579287.db2.gz LZBHFLGYBHULFE-FIQHERPVSA-N 1 1 306.366 -1.219 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032742435 663579350 /nfs/dbraw/zinc/57/93/50/663579350.db2.gz KQFMQVVOMKWLOK-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032742435 663579351 /nfs/dbraw/zinc/57/93/51/663579351.db2.gz KQFMQVVOMKWLOK-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)Cc2nc[nH]n2)C1 ZINC001000199300 663581575 /nfs/dbraw/zinc/58/15/75/663581575.db2.gz DBXGTLWSGFWJSC-UHFFFAOYSA-N 1 1 303.326 -1.121 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000198708 663581724 /nfs/dbraw/zinc/58/17/24/663581724.db2.gz HKLCFEDRTAESKC-AEJSXWLSSA-N 1 1 307.358 -1.588 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001032766297 663583274 /nfs/dbraw/zinc/58/32/74/663583274.db2.gz YMTXMEQWYKWDRF-VWYCJHECSA-N 1 1 324.381 -1.017 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)O)c(=O)n1C ZINC001032759586 663583282 /nfs/dbraw/zinc/58/32/82/663583282.db2.gz UFVJIACTJUVOLI-DLOVCJGASA-N 1 1 309.370 -1.444 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032771592 663583779 /nfs/dbraw/zinc/58/37/79/663583779.db2.gz VPZVKYLAAFDKKQ-WOPDTQHZSA-N 1 1 322.365 -1.140 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CNC1=O ZINC001032771211 663584378 /nfs/dbraw/zinc/58/43/78/663584378.db2.gz PRAOMSCQHUIWAJ-VWYCJHECSA-N 1 1 310.354 -1.142 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016198854 663585276 /nfs/dbraw/zinc/58/52/76/663585276.db2.gz BBRAMEQIMCJSDF-QWRGUYRKSA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032785131 663585523 /nfs/dbraw/zinc/58/55/23/663585523.db2.gz XUCOMIZYIAUKTM-AVGNSLFASA-N 1 1 310.398 -1.275 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001000455624 663586461 /nfs/dbraw/zinc/58/64/61/663586461.db2.gz IDCDQVQROXKPHX-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016209916 663587343 /nfs/dbraw/zinc/58/73/43/663587343.db2.gz VREMFIXFHUFOBD-ZJUUUORDSA-N 1 1 308.338 -1.786 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016209916 663587346 /nfs/dbraw/zinc/58/73/46/663587346.db2.gz VREMFIXFHUFOBD-ZJUUUORDSA-N 1 1 308.338 -1.786 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032791672 663587538 /nfs/dbraw/zinc/58/75/38/663587538.db2.gz DIBSCKIUQZWAQK-IHRRRGAJSA-N 1 1 311.382 -1.099 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540884 663587961 /nfs/dbraw/zinc/58/79/61/663587961.db2.gz ZHNMKWPQEXDCQV-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000535131 663587964 /nfs/dbraw/zinc/58/79/64/663587964.db2.gz CONIMXIOVIVJPA-SNVBAGLBSA-N 1 1 320.361 -1.633 20 0 DAADMO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(=O)NCC12COC2 ZINC000921794985 663588463 /nfs/dbraw/zinc/58/84/63/663588463.db2.gz SOXPECJCRFYPOM-NWDGAFQWSA-N 1 1 309.366 -1.033 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001000529766 663588511 /nfs/dbraw/zinc/58/85/11/663588511.db2.gz CDUGMLSCOZCUBG-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000571803 663589251 /nfs/dbraw/zinc/58/92/51/663589251.db2.gz BLESDZGRTADHSO-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001000571803 663589257 /nfs/dbraw/zinc/58/92/57/663589257.db2.gz BLESDZGRTADHSO-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001000594520 663589394 /nfs/dbraw/zinc/58/93/94/663589394.db2.gz QWVKWCHLAWRVRV-UONOGXRCSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001000594520 663589395 /nfs/dbraw/zinc/58/93/95/663589395.db2.gz QWVKWCHLAWRVRV-UONOGXRCSA-N 1 1 322.409 -1.046 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000546330 663589400 /nfs/dbraw/zinc/58/94/00/663589400.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001000546330 663589401 /nfs/dbraw/zinc/58/94/01/663589401.db2.gz HASBGZVVNCSEKS-YPMHNXCESA-N 1 1 310.398 -1.061 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001000641346 663590157 /nfs/dbraw/zinc/59/01/57/663590157.db2.gz XUHMTLWTGCFMON-MNOVXSKESA-N 1 1 308.338 -1.268 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001000641346 663590158 /nfs/dbraw/zinc/59/01/58/663590158.db2.gz XUHMTLWTGCFMON-MNOVXSKESA-N 1 1 308.338 -1.268 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000643131 663590526 /nfs/dbraw/zinc/59/05/26/663590526.db2.gz GHPWZGOHTXLZMY-VIFPVBQESA-N 1 1 305.346 -1.349 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001000861510 663592120 /nfs/dbraw/zinc/59/21/20/663592120.db2.gz PSBZHXLMCMQJDN-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001000861510 663592123 /nfs/dbraw/zinc/59/21/23/663592123.db2.gz PSBZHXLMCMQJDN-ZDUSSCGKSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CCN(CC(N)=O)CC2)O1 ZINC001000838096 663592159 /nfs/dbraw/zinc/59/21/59/663592159.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CCN(CC(N)=O)CC2)O1 ZINC001000838096 663592163 /nfs/dbraw/zinc/59/21/63/663592163.db2.gz SDCKKMJWFINRHL-DGCLKSJQSA-N 1 1 310.398 -1.061 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001040831 663593575 /nfs/dbraw/zinc/59/35/75/663593575.db2.gz QNSSZZUHBYZQLA-LLVKDONJSA-N 1 1 309.370 -1.496 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001040831 663593578 /nfs/dbraw/zinc/59/35/78/663593578.db2.gz QNSSZZUHBYZQLA-LLVKDONJSA-N 1 1 309.370 -1.496 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056211 663594063 /nfs/dbraw/zinc/59/40/63/663594063.db2.gz OLCDHMBLFNCNNF-SECBINFHSA-N 1 1 307.358 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056211 663594068 /nfs/dbraw/zinc/59/40/68/663594068.db2.gz OLCDHMBLFNCNNF-SECBINFHSA-N 1 1 307.358 -1.294 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+](CC(=O)NC3CC3)CC2)n1 ZINC001001058052 663594263 /nfs/dbraw/zinc/59/42/63/663594263.db2.gz WJPZTJSGDHZYJK-UHFFFAOYSA-N 1 1 319.369 -1.149 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)n1 ZINC001001058052 663594270 /nfs/dbraw/zinc/59/42/70/663594270.db2.gz WJPZTJSGDHZYJK-UHFFFAOYSA-N 1 1 319.369 -1.149 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)c1=O ZINC001001037905 663594308 /nfs/dbraw/zinc/59/43/08/663594308.db2.gz VITAAWCXVMYCAG-UHFFFAOYSA-N 1 1 321.337 -1.667 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)c1=O ZINC001001037905 663594311 /nfs/dbraw/zinc/59/43/11/663594311.db2.gz VITAAWCXVMYCAG-UHFFFAOYSA-N 1 1 321.337 -1.667 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001035253 663594319 /nfs/dbraw/zinc/59/43/19/663594319.db2.gz FWWDNTGJBQKBSF-CMPLNLGQSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001001035253 663594323 /nfs/dbraw/zinc/59/43/23/663594323.db2.gz FWWDNTGJBQKBSF-CMPLNLGQSA-N 1 1 323.397 -1.107 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCN(C)C2=O)CC1 ZINC001001061702 663594348 /nfs/dbraw/zinc/59/43/48/663594348.db2.gz UGNLRWAFHYNBSI-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCN(C)C2=O)CC1 ZINC001001061702 663594349 /nfs/dbraw/zinc/59/43/49/663594349.db2.gz UGNLRWAFHYNBSI-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2ccn3nnnc3c2)CC1 ZINC001001035356 663594429 /nfs/dbraw/zinc/59/44/29/663594429.db2.gz HJWQJRJAFDDPJW-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccn3nnnc3c2)CC1 ZINC001001035356 663594432 /nfs/dbraw/zinc/59/44/32/663594432.db2.gz HJWQJRJAFDDPJW-UHFFFAOYSA-N 1 1 315.337 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001105206 663595193 /nfs/dbraw/zinc/59/51/93/663595193.db2.gz JPEYHRMSUFKFOM-ONGXEEELSA-N 1 1 309.370 -1.449 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001105206 663595195 /nfs/dbraw/zinc/59/51/95/663595195.db2.gz JPEYHRMSUFKFOM-ONGXEEELSA-N 1 1 309.370 -1.449 20 0 DAADMO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001001101209 663595439 /nfs/dbraw/zinc/59/54/39/663595439.db2.gz SGJWMIKBFGQSMF-LBPRGKRZSA-N 1 1 321.381 -1.352 20 0 DAADMO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001001101209 663595446 /nfs/dbraw/zinc/59/54/46/663595446.db2.gz SGJWMIKBFGQSMF-LBPRGKRZSA-N 1 1 321.381 -1.352 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)nn1 ZINC001032802944 663595577 /nfs/dbraw/zinc/59/55/77/663595577.db2.gz UGADUZHIZRNFCM-UWVGGRQHSA-N 1 1 308.342 -1.956 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)nn1 ZINC001032802944 663595581 /nfs/dbraw/zinc/59/55/81/663595581.db2.gz UGADUZHIZRNFCM-UWVGGRQHSA-N 1 1 308.342 -1.956 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114374 663595904 /nfs/dbraw/zinc/59/59/04/663595904.db2.gz IJPINUYNDLOLFP-VXGBXAGGSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114578 663595915 /nfs/dbraw/zinc/59/59/15/663595915.db2.gz JGERCQKCHHHKHU-MNOVXSKESA-N 1 1 307.354 -1.695 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001001114578 663595916 /nfs/dbraw/zinc/59/59/16/663595916.db2.gz JGERCQKCHHHKHU-MNOVXSKESA-N 1 1 307.354 -1.695 20 0 DAADMO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001001115058 663595924 /nfs/dbraw/zinc/59/59/24/663595924.db2.gz QDICRCCBVAOAFQ-LBPRGKRZSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001001115058 663595925 /nfs/dbraw/zinc/59/59/25/663595925.db2.gz QDICRCCBVAOAFQ-LBPRGKRZSA-N 1 1 321.381 -1.305 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001159196 663596537 /nfs/dbraw/zinc/59/65/37/663596537.db2.gz JJEOSSPAZQOCTP-JLLWLGSASA-N 1 1 308.382 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001159196 663596539 /nfs/dbraw/zinc/59/65/39/663596539.db2.gz JJEOSSPAZQOCTP-JLLWLGSASA-N 1 1 308.382 -1.009 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001001223276 663597159 /nfs/dbraw/zinc/59/71/59/663597159.db2.gz RVJJRTLXSCGQIQ-GHMZBOCLSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001001215642 663597347 /nfs/dbraw/zinc/59/73/47/663597347.db2.gz LOQSZGJSLUUWIY-VXGBXAGGSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001001202389 663598174 /nfs/dbraw/zinc/59/81/74/663598174.db2.gz CCCRRWJTWPNNLZ-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001001227632 663598343 /nfs/dbraw/zinc/59/83/43/663598343.db2.gz RKZLLRWTXYHYQU-WOPDTQHZSA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001296940 663598783 /nfs/dbraw/zinc/59/87/83/663598783.db2.gz OVPURXQGROCVSI-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001296940 663598784 /nfs/dbraw/zinc/59/87/84/663598784.db2.gz OVPURXQGROCVSI-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001296941 663599017 /nfs/dbraw/zinc/59/90/17/663599017.db2.gz OVPURXQGROCVSI-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001296941 663599021 /nfs/dbraw/zinc/59/90/21/663599021.db2.gz OVPURXQGROCVSI-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001296601 663599164 /nfs/dbraw/zinc/59/91/64/663599164.db2.gz NLNLPTBREJRLQK-JTQLQIEISA-N 1 1 323.357 -2.271 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001296601 663599167 /nfs/dbraw/zinc/59/91/67/663599167.db2.gz NLNLPTBREJRLQK-JTQLQIEISA-N 1 1 323.357 -2.271 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001301540 663599188 /nfs/dbraw/zinc/59/91/88/663599188.db2.gz GGCCJUREHWTCAV-LBPRGKRZSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3nccn3)C2)C1 ZINC001001301540 663599193 /nfs/dbraw/zinc/59/91/93/663599193.db2.gz GGCCJUREHWTCAV-LBPRGKRZSA-N 1 1 322.369 -1.817 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001001295910 663599275 /nfs/dbraw/zinc/59/92/75/663599275.db2.gz JLEHGJLTWXUESK-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001001295910 663599279 /nfs/dbraw/zinc/59/92/79/663599279.db2.gz JLEHGJLTWXUESK-STQMWFEESA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001001295702 663599409 /nfs/dbraw/zinc/59/94/09/663599409.db2.gz HUCAZKODRLKNHW-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001001295702 663599410 /nfs/dbraw/zinc/59/94/10/663599410.db2.gz HUCAZKODRLKNHW-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001001295705 663599483 /nfs/dbraw/zinc/59/94/83/663599483.db2.gz HUCAZKODRLKNHW-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001001295705 663599487 /nfs/dbraw/zinc/59/94/87/663599487.db2.gz HUCAZKODRLKNHW-ZDUSSCGKSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ncccn3)C2)C1 ZINC001001298548 663599532 /nfs/dbraw/zinc/59/95/32/663599532.db2.gz ZQGJIUUSTVDCTK-LBPRGKRZSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3ncccn3)C2)C1 ZINC001001298548 663599539 /nfs/dbraw/zinc/59/95/39/663599539.db2.gz ZQGJIUUSTVDCTK-LBPRGKRZSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001296579 663599739 /nfs/dbraw/zinc/59/97/39/663599739.db2.gz NEYFYCKSBJSEKU-LLVKDONJSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001296579 663599740 /nfs/dbraw/zinc/59/97/40/663599740.db2.gz NEYFYCKSBJSEKU-LLVKDONJSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001001295395 663600139 /nfs/dbraw/zinc/60/01/39/663600139.db2.gz FHSDQFCJASJACQ-RFQIPJPRSA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001001295395 663600140 /nfs/dbraw/zinc/60/01/40/663600140.db2.gz FHSDQFCJASJACQ-RFQIPJPRSA-N 1 1 323.393 -1.216 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001001295901 663600261 /nfs/dbraw/zinc/60/02/61/663600261.db2.gz JLEHGJLTWXUESK-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001001295901 663600265 /nfs/dbraw/zinc/60/02/65/663600265.db2.gz JLEHGJLTWXUESK-CHWSQXEVSA-N 1 1 311.382 -1.072 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001001299004 663600293 /nfs/dbraw/zinc/60/02/93/663600293.db2.gz YQFYMDJNQVEECP-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001001299004 663600296 /nfs/dbraw/zinc/60/02/96/663600296.db2.gz YQFYMDJNQVEECP-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001312103 663600721 /nfs/dbraw/zinc/60/07/21/663600721.db2.gz RJUBDFJMMDYEJQ-ZIAGYGMSSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnccn3)C2)C1 ZINC001001304073 663600742 /nfs/dbraw/zinc/60/07/42/663600742.db2.gz YVZQDYBFNHIKRW-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnccn3)C2)C1 ZINC001001304073 663600743 /nfs/dbraw/zinc/60/07/43/663600743.db2.gz YVZQDYBFNHIKRW-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001417778 663601481 /nfs/dbraw/zinc/60/14/81/663601481.db2.gz HUGAEYOYIJWLBG-CQSZACIVSA-N 1 1 311.382 -1.026 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001457707 663601548 /nfs/dbraw/zinc/60/15/48/663601548.db2.gz ZVAGHYOIWJAMGU-JTQLQIEISA-N 1 1 316.383 -2.088 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001457707 663601553 /nfs/dbraw/zinc/60/15/53/663601553.db2.gz ZVAGHYOIWJAMGU-JTQLQIEISA-N 1 1 316.383 -2.088 20 0 DAADMO C[C@H](O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001455900 663601706 /nfs/dbraw/zinc/60/17/06/663601706.db2.gz FLBAXDYMHXMJJJ-JQWIXIFHSA-N 1 1 317.411 -1.193 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2=CC[N@@H+](CCCO)CC2)nn1 ZINC001001471636 663602178 /nfs/dbraw/zinc/60/21/78/663602178.db2.gz LQHFKVJPRQMEKX-UHFFFAOYSA-N 1 1 322.369 -1.492 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001001463808 663602182 /nfs/dbraw/zinc/60/21/82/663602182.db2.gz VTVZAVMUMDQWRS-ZDUSSCGKSA-N 1 1 324.381 -1.533 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001001463808 663602183 /nfs/dbraw/zinc/60/21/83/663602183.db2.gz VTVZAVMUMDQWRS-ZDUSSCGKSA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001001471813 663602556 /nfs/dbraw/zinc/60/25/56/663602556.db2.gz MQQCXEDCSKCLMA-SNVBAGLBSA-N 1 1 322.369 -1.494 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001504212 663603021 /nfs/dbraw/zinc/60/30/21/663603021.db2.gz JUZRSNQSTPOUKK-KGLIPLIRSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001504215 663603114 /nfs/dbraw/zinc/60/31/14/663603114.db2.gz JUZRSNQSTPOUKK-ZIAGYGMSSA-N 1 1 324.425 -1.157 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001656141 663604202 /nfs/dbraw/zinc/60/42/02/663604202.db2.gz ITISQLFDGWPSCO-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1nncc1C(=O)NCC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001656141 663604204 /nfs/dbraw/zinc/60/42/04/663604204.db2.gz ITISQLFDGWPSCO-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001001688509 663605505 /nfs/dbraw/zinc/60/55/05/663605505.db2.gz VKOVODNSNFZPMG-NSHDSACASA-N 1 1 321.337 -1.125 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001716189 663606068 /nfs/dbraw/zinc/60/60/68/663606068.db2.gz JSHQKXUARSFTHC-LLVKDONJSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1cnc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001716189 663606070 /nfs/dbraw/zinc/60/60/70/663606070.db2.gz JSHQKXUARSFTHC-LLVKDONJSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC001001820363 663611002 /nfs/dbraw/zinc/61/10/02/663611002.db2.gz JACXCSVJGVSFJN-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(N)=O)C1 ZINC001001820363 663611008 /nfs/dbraw/zinc/61/10/08/663611008.db2.gz JACXCSVJGVSFJN-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O)N1CCOCC1 ZINC001032821179 663611231 /nfs/dbraw/zinc/61/12/31/663611231.db2.gz RQEDWJOEFZGPFB-XUXIUFHCSA-N 1 1 322.409 -1.119 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O)N1CCOCC1 ZINC001032821179 663611233 /nfs/dbraw/zinc/61/12/33/663611233.db2.gz RQEDWJOEFZGPFB-XUXIUFHCSA-N 1 1 322.409 -1.119 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001975909 663611751 /nfs/dbraw/zinc/61/17/51/663611751.db2.gz GXHXEXWFJJTVTJ-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001977294 663611803 /nfs/dbraw/zinc/61/18/03/663611803.db2.gz MGVICGBEVGHNTO-KBPBESRZSA-N 1 1 324.425 -1.157 20 0 DAADMO Cn1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001997640 663612120 /nfs/dbraw/zinc/61/21/20/663612120.db2.gz BGFBKJCEEADCAV-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1ccc(C(=O)NCC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001997640 663612123 /nfs/dbraw/zinc/61/21/23/663612123.db2.gz BGFBKJCEEADCAV-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001001998403 663612300 /nfs/dbraw/zinc/61/23/00/663612300.db2.gz MTFRHLDRGNYUNZ-MNOVXSKESA-N 1 1 309.370 -1.806 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001001999081 663612306 /nfs/dbraw/zinc/61/23/06/663612306.db2.gz KCWJXCXTMMBUBQ-NEPJUHHUSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001002001468 663612336 /nfs/dbraw/zinc/61/23/36/663612336.db2.gz QGJZVWGFYWFRHG-OLZOCXBDSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001001980643 663612339 /nfs/dbraw/zinc/61/23/39/663612339.db2.gz YBNBNFZPAGEMLQ-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001001978602 663612416 /nfs/dbraw/zinc/61/24/16/663612416.db2.gz RKTXEQIFSLXNQE-MNOVXSKESA-N 1 1 310.354 -1.379 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002001061 663612481 /nfs/dbraw/zinc/61/24/81/663612481.db2.gz OHQFGLSCKJONGD-OLZOCXBDSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC001001993736 663612499 /nfs/dbraw/zinc/61/24/99/663612499.db2.gz IRSKORMDYJFFOD-LLVKDONJSA-N 1 1 319.365 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001001998405 663612531 /nfs/dbraw/zinc/61/25/31/663612531.db2.gz MTFRHLDRGNYUNZ-QWRGUYRKSA-N 1 1 309.370 -1.806 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC001001977905 663612539 /nfs/dbraw/zinc/61/25/39/663612539.db2.gz NWWMLLCTCPIMTG-NSHDSACASA-N 1 1 307.358 -1.801 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001002283861 663613410 /nfs/dbraw/zinc/61/34/10/663613410.db2.gz KDAYFJCPOKWQNM-LBPRGKRZSA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001002283861 663613415 /nfs/dbraw/zinc/61/34/15/663613415.db2.gz KDAYFJCPOKWQNM-LBPRGKRZSA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001002291518 663613667 /nfs/dbraw/zinc/61/36/67/663613667.db2.gz PZMXSGYCHSIRQO-GFCCVEGCSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001002291518 663613669 /nfs/dbraw/zinc/61/36/69/663613669.db2.gz PZMXSGYCHSIRQO-GFCCVEGCSA-N 1 1 323.353 -1.022 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC001002455871 663614931 /nfs/dbraw/zinc/61/49/31/663614931.db2.gz IBHKBGSKODAIAE-STQMWFEESA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@@H]1[C@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000925349366 663615351 /nfs/dbraw/zinc/61/53/51/663615351.db2.gz VUIIORSTYRSCSG-GMTAPVOTSA-N 1 1 317.415 -1.377 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308244 663615444 /nfs/dbraw/zinc/61/54/44/663615444.db2.gz YYNCKMUJMLQUAQ-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308244 663615450 /nfs/dbraw/zinc/61/54/50/663615450.db2.gz YYNCKMUJMLQUAQ-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001002524232 663615844 /nfs/dbraw/zinc/61/58/44/663615844.db2.gz REYOQIHXDPRVNI-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001002524232 663615846 /nfs/dbraw/zinc/61/58/46/663615846.db2.gz REYOQIHXDPRVNI-LBPRGKRZSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCNC(=O)C1 ZINC001002556846 663616452 /nfs/dbraw/zinc/61/64/52/663616452.db2.gz NPFMHUMBKMAKPL-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCNC(=O)C1 ZINC001002556855 663616462 /nfs/dbraw/zinc/61/64/62/663616462.db2.gz NPFMHUMBKMAKPL-ZYHUDNBSSA-N 1 1 308.382 -1.018 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001002645804 663617739 /nfs/dbraw/zinc/61/77/39/663617739.db2.gz ZBMNXNLCIOIOAP-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032827405 663617856 /nfs/dbraw/zinc/61/78/56/663617856.db2.gz HUNCYUODOHCIBF-HBNTYKKESA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032827405 663617860 /nfs/dbraw/zinc/61/78/60/663617860.db2.gz HUNCYUODOHCIBF-HBNTYKKESA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1)N1CCC1 ZINC001002722215 663617988 /nfs/dbraw/zinc/61/79/88/663617988.db2.gz KLEONTJZYCIQJS-LLVKDONJSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032827066 663618014 /nfs/dbraw/zinc/61/80/14/663618014.db2.gz BJEVAVJUKDWLRF-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032827066 663618016 /nfs/dbraw/zinc/61/80/16/663618016.db2.gz BJEVAVJUKDWLRF-GUBZILKMSA-N 1 1 323.353 -1.946 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)nn1 ZINC001002749330 663618457 /nfs/dbraw/zinc/61/84/57/663618457.db2.gz RDFDQHSQFYQMPG-LLVKDONJSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1)NC1CC1 ZINC001002724579 663618664 /nfs/dbraw/zinc/61/86/64/663618664.db2.gz ZCXAPVPNXBDJDW-NSHDSACASA-N 1 1 310.354 -1.046 20 0 DAADMO Cn1cnc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)n1 ZINC001002747609 663618667 /nfs/dbraw/zinc/61/86/67/663618667.db2.gz CZDDAOPCJAECON-JTQLQIEISA-N 1 1 320.353 -1.186 20 0 DAADMO COCCn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001002784312 663619106 /nfs/dbraw/zinc/61/91/06/663619106.db2.gz JPSILUXIGBDRHY-UHFFFAOYSA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001032827760 663619377 /nfs/dbraw/zinc/61/93/77/663619377.db2.gz HCUQNYUWTUIYHO-SCVCMEIPSA-N 1 1 307.354 -1.063 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(CCOC)nn2)CC1 ZINC001002785640 663619446 /nfs/dbraw/zinc/61/94/46/663619446.db2.gz TVUTXZUGWZAGQS-UHFFFAOYSA-N 1 1 324.385 -1.135 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032829696 663619953 /nfs/dbraw/zinc/61/99/53/663619953.db2.gz WOVYXCZRNXTRNQ-DCAQKATOSA-N 1 1 322.365 -1.397 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032829696 663619955 /nfs/dbraw/zinc/61/99/55/663619955.db2.gz WOVYXCZRNXTRNQ-DCAQKATOSA-N 1 1 322.365 -1.397 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001002862553 663620195 /nfs/dbraw/zinc/62/01/95/663620195.db2.gz LKMWPVLMUORWQG-UHFFFAOYSA-N 1 1 323.357 -2.296 20 0 DAADMO CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002908883 663620391 /nfs/dbraw/zinc/62/03/91/663620391.db2.gz BQYPOIGCTZZYIH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002908883 663620394 /nfs/dbraw/zinc/62/03/94/663620394.db2.gz BQYPOIGCTZZYIH-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001002908888 663620646 /nfs/dbraw/zinc/62/06/46/663620646.db2.gz BQYPOIGCTZZYIH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCCN1C(=O)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001002908888 663620648 /nfs/dbraw/zinc/62/06/48/663620648.db2.gz BQYPOIGCTZZYIH-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC001002947990 663621605 /nfs/dbraw/zinc/62/16/05/663621605.db2.gz AKRNLJHNILKTKR-SNVBAGLBSA-N 1 1 324.381 -1.150 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352556 663621752 /nfs/dbraw/zinc/62/17/52/663621752.db2.gz BNOFTFVIHQKLNR-WDEREUQCSA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352556 663621756 /nfs/dbraw/zinc/62/17/56/663621756.db2.gz BNOFTFVIHQKLNR-WDEREUQCSA-N 1 1 321.381 -1.241 20 0 DAADMO Cc1nonc1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001002930199 663621783 /nfs/dbraw/zinc/62/17/83/663621783.db2.gz WPWGGUOXNMDPJF-LLVKDONJSA-N 1 1 323.353 -1.103 20 0 DAADMO Cc1nonc1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001002930199 663621785 /nfs/dbraw/zinc/62/17/85/663621785.db2.gz WPWGGUOXNMDPJF-LLVKDONJSA-N 1 1 323.353 -1.103 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)N(C)C1 ZINC000922116582 663622243 /nfs/dbraw/zinc/62/22/43/663622243.db2.gz NEFPIKRKQWBMIX-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO CO[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)N(C)C1 ZINC000922116582 663622247 /nfs/dbraw/zinc/62/22/47/663622247.db2.gz NEFPIKRKQWBMIX-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO Cn1cncc1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001002993683 663622326 /nfs/dbraw/zinc/62/23/26/663622326.db2.gz RQQREYOFWVDXPT-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cncc1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001002993683 663622328 /nfs/dbraw/zinc/62/23/28/663622328.db2.gz RQQREYOFWVDXPT-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355033 663622477 /nfs/dbraw/zinc/62/24/77/663622477.db2.gz RYRJJAHCXWVUHO-ZJUUUORDSA-N 1 1 307.354 -1.584 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)n(C)c1=O ZINC001016355033 663622478 /nfs/dbraw/zinc/62/24/78/663622478.db2.gz RYRJJAHCXWVUHO-ZJUUUORDSA-N 1 1 307.354 -1.584 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922109411 663622482 /nfs/dbraw/zinc/62/24/82/663622482.db2.gz DZFDGBNYPJFVHM-LLVKDONJSA-N 1 1 303.359 -2.100 20 0 DAADMO C[C@H]1CN(C)C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC000922112905 663622506 /nfs/dbraw/zinc/62/25/06/663622506.db2.gz UNTWWTWORCJSIN-STQMWFEESA-N 1 1 303.403 -1.238 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)CCC1=O ZINC000922114937 663622662 /nfs/dbraw/zinc/62/26/62/663622662.db2.gz QFOFSCJILIYMNQ-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)N1CCN(C)CC1 ZINC000922125142 663622906 /nfs/dbraw/zinc/62/29/06/663622906.db2.gz NTZVTFJABQTYTI-CQSZACIVSA-N 1 1 316.446 -1.321 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cc(=O)n(C)cn2)CC1 ZINC001003052553 663623550 /nfs/dbraw/zinc/62/35/50/663623550.db2.gz QWLITVSQARMEMA-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)[C@H]1CCC(=O)N1 ZINC001032834389 663625307 /nfs/dbraw/zinc/62/53/07/663625307.db2.gz NKNBWZFUBSLBBV-JHJVBQTASA-N 1 1 321.381 -1.287 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001003208276 663625675 /nfs/dbraw/zinc/62/56/75/663625675.db2.gz LSBLGDKADQBZHH-UHFFFAOYSA-N 1 1 324.385 -1.749 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001003185421 663625767 /nfs/dbraw/zinc/62/57/67/663625767.db2.gz GKMOLIXZARYYDM-SECBINFHSA-N 1 1 322.369 -1.388 20 0 DAADMO Cn1cnn(CC(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)c1=O ZINC001003209730 663625848 /nfs/dbraw/zinc/62/58/48/663625848.db2.gz YQGTYNJJHKLFAR-LLVKDONJSA-N 1 1 322.369 -1.949 20 0 DAADMO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)c1cnn[nH]1 ZINC001003236075 663627281 /nfs/dbraw/zinc/62/72/81/663627281.db2.gz ZXNTXECAOJOZPG-UHFFFAOYSA-N 1 1 321.341 -1.449 20 0 DAADMO C[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CNC(=O)C1 ZINC001003367650 663628067 /nfs/dbraw/zinc/62/80/67/663628067.db2.gz MAYNHAXCWXJGCS-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CNC(=O)C1 ZINC001003367648 663628351 /nfs/dbraw/zinc/62/83/51/663628351.db2.gz MAYNHAXCWXJGCS-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841915 663628755 /nfs/dbraw/zinc/62/87/55/663628755.db2.gz WKYVHAMNSFJHBF-MXWKQRLJSA-N 1 1 310.354 -1.189 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032841885 663628846 /nfs/dbraw/zinc/62/88/46/663628846.db2.gz QBONPSPCQIMEJL-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032841885 663628847 /nfs/dbraw/zinc/62/88/47/663628847.db2.gz QBONPSPCQIMEJL-UTLUCORTSA-N 1 1 323.353 -1.994 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2ccn3nnnc3c2)CC1 ZINC001003424626 663629034 /nfs/dbraw/zinc/62/90/34/663629034.db2.gz VXLRPVXLSHZTEZ-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1)NC1CC1 ZINC001003429999 663629106 /nfs/dbraw/zinc/62/91/06/663629106.db2.gz AEODVNJCXDVZAZ-LBPRGKRZSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001003479787 663629473 /nfs/dbraw/zinc/62/94/73/663629473.db2.gz LOQSZGJSLUUWIY-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1=O ZINC001003465938 663629481 /nfs/dbraw/zinc/62/94/81/663629481.db2.gz REOHINFZKWNOMB-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001003454003 663629513 /nfs/dbraw/zinc/62/95/13/663629513.db2.gz WSNHQOYZLZIMLH-SECBINFHSA-N 1 1 321.341 -1.791 20 0 DAADMO CN1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)C1=O ZINC001003465937 663629565 /nfs/dbraw/zinc/62/95/65/663629565.db2.gz REOHINFZKWNOMB-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)CC(=O)N1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001003512006 663630174 /nfs/dbraw/zinc/63/01/74/663630174.db2.gz XGXNCKBLLIWLIN-HNNXBMFYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001003538662 663630423 /nfs/dbraw/zinc/63/04/23/663630423.db2.gz CHOBUNDODMAXAF-SECBINFHSA-N 1 1 303.384 -1.513 20 0 DAADMO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001003533046 663631182 /nfs/dbraw/zinc/63/11/82/663631182.db2.gz JOFFDYJUWCEZGU-NSHDSACASA-N 1 1 309.370 -1.473 20 0 DAADMO CN(C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1)C1CC1 ZINC001003533319 663631187 /nfs/dbraw/zinc/63/11/87/663631187.db2.gz SHBYIQQILIAJTP-LBPRGKRZSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001003540592 663631189 /nfs/dbraw/zinc/63/11/89/663631189.db2.gz XEDMVJXTMNXYIV-SNVBAGLBSA-N 1 1 317.411 -1.123 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001003574276 663632805 /nfs/dbraw/zinc/63/28/05/663632805.db2.gz ZWSSUXVGZLAXRI-NEPJUHHUSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001003574284 663633098 /nfs/dbraw/zinc/63/30/98/663633098.db2.gz ZWSSUXVGZLAXRI-VXGBXAGGSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)CCNC1=O ZINC001003616527 663633856 /nfs/dbraw/zinc/63/38/56/663633856.db2.gz OAXFUGNXRAUBEF-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC001003663105 663634255 /nfs/dbraw/zinc/63/42/55/663634255.db2.gz HFWYZAPLEOIBIT-JTQLQIEISA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC001003663107 663634775 /nfs/dbraw/zinc/63/47/75/663634775.db2.gz HFWYZAPLEOIBIT-SNVBAGLBSA-N 1 1 321.385 -1.309 20 0 DAADMO O=C(NC1CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001003712081 663637460 /nfs/dbraw/zinc/63/74/60/663637460.db2.gz RTQXLOJROCNITP-VHSXEESVSA-N 1 1 323.353 -1.946 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003712216 663637467 /nfs/dbraw/zinc/63/74/67/663637467.db2.gz OFTRRYMPCUVATO-ONGXEEELSA-N 1 1 321.385 -1.404 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001003712528 663637631 /nfs/dbraw/zinc/63/76/31/663637631.db2.gz SONBNGHRNJBNLN-APPZFPTMSA-N 1 1 311.342 -1.961 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032844319 663637699 /nfs/dbraw/zinc/63/76/99/663637699.db2.gz NSRSYIYZNNFBFQ-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032844319 663637702 /nfs/dbraw/zinc/63/77/02/663637702.db2.gz NSRSYIYZNNFBFQ-UTUOFQBUSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001003712535 663637745 /nfs/dbraw/zinc/63/77/45/663637745.db2.gz SONBNGHRNJBNLN-CBAPKCEASA-N 1 1 311.342 -1.961 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032844354 663637921 /nfs/dbraw/zinc/63/79/21/663637921.db2.gz VAOZDOLDACONDR-GRYCIOLGSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032844354 663637927 /nfs/dbraw/zinc/63/79/27/663637927.db2.gz VAOZDOLDACONDR-GRYCIOLGSA-N 1 1 323.397 -1.049 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844306 663638059 /nfs/dbraw/zinc/63/80/59/663638059.db2.gz JEVGKPWNLIJHPW-VWYCJHECSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)O1 ZINC001003706094 663638004 /nfs/dbraw/zinc/63/80/04/663638004.db2.gz DOUOYYDDFRHBLR-PZWNZHSQSA-N 1 1 324.381 -1.561 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)O1 ZINC001003706094 663638007 /nfs/dbraw/zinc/63/80/07/663638007.db2.gz DOUOYYDDFRHBLR-PZWNZHSQSA-N 1 1 324.381 -1.561 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001003715048 663638044 /nfs/dbraw/zinc/63/80/44/663638044.db2.gz LYWTXNVQWDESQB-NSHDSACASA-N 1 1 321.385 -1.117 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844306 663638058 /nfs/dbraw/zinc/63/80/58/663638058.db2.gz JEVGKPWNLIJHPW-VWYCJHECSA-N 1 1 311.386 -1.016 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032844312 663638086 /nfs/dbraw/zinc/63/80/86/663638086.db2.gz KUFYBVKJCCIIAF-VWYCJHECSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032844312 663638087 /nfs/dbraw/zinc/63/80/87/663638087.db2.gz KUFYBVKJCCIIAF-VWYCJHECSA-N 1 1 309.370 -1.392 20 0 DAADMO CN1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001003742556 663638849 /nfs/dbraw/zinc/63/88/49/663638849.db2.gz VMIYZJNKUJLAKL-QWHCGFSZSA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001032890946 663639875 /nfs/dbraw/zinc/63/98/75/663639875.db2.gz AYGSVLBIVAAKCY-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894005 663640343 /nfs/dbraw/zinc/64/03/43/663640343.db2.gz RWUGZLBVYHWNOI-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894005 663640345 /nfs/dbraw/zinc/64/03/45/663640345.db2.gz RWUGZLBVYHWNOI-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032896266 663640559 /nfs/dbraw/zinc/64/05/59/663640559.db2.gz FXVMQECOCAHFRF-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032896266 663640562 /nfs/dbraw/zinc/64/05/62/663640562.db2.gz FXVMQECOCAHFRF-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001032894518 663640826 /nfs/dbraw/zinc/64/08/26/663640826.db2.gz XVQCHOKPSSZGAL-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894236 663640849 /nfs/dbraw/zinc/64/08/49/663640849.db2.gz USOPSWKXFWIRAI-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894236 663640850 /nfs/dbraw/zinc/64/08/50/663640850.db2.gz USOPSWKXFWIRAI-ZYHUDNBSSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001032894530 663640922 /nfs/dbraw/zinc/64/09/22/663640922.db2.gz YKXKKRLTGJEFBW-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001032894530 663640926 /nfs/dbraw/zinc/64/09/26/663640926.db2.gz YKXKKRLTGJEFBW-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894007 663640932 /nfs/dbraw/zinc/64/09/32/663640932.db2.gz RWUGZLBVYHWNOI-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)Cn3cnnn3)C2)C1=O ZINC001032894007 663640935 /nfs/dbraw/zinc/64/09/35/663640935.db2.gz RWUGZLBVYHWNOI-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnc3n2CCOC3)C1 ZINC000922295130 663641319 /nfs/dbraw/zinc/64/13/19/663641319.db2.gz HRLPTSOEVHVJGJ-UHFFFAOYSA-N 1 1 315.399 -1.007 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001032966913 663641692 /nfs/dbraw/zinc/64/16/92/663641692.db2.gz GTHZMEIYHXEEIP-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003954822 663642267 /nfs/dbraw/zinc/64/22/67/663642267.db2.gz MYSBDCHXKSTMDP-QWRGUYRKSA-N 1 1 309.370 -1.663 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(Cc2nnnn2C)C1 ZINC001032975722 663643099 /nfs/dbraw/zinc/64/30/99/663643099.db2.gz LBNGSLKECHNFMP-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(Cc2nnnn2C)C1 ZINC001032975722 663643100 /nfs/dbraw/zinc/64/31/00/663643100.db2.gz LBNGSLKECHNFMP-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001032977058 663643891 /nfs/dbraw/zinc/64/38/91/663643891.db2.gz RHRFGFJUQXVNKB-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001032977058 663643894 /nfs/dbraw/zinc/64/38/94/663643894.db2.gz RHRFGFJUQXVNKB-CHWSQXEVSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003952651 663644001 /nfs/dbraw/zinc/64/40/01/663644001.db2.gz QGMJIUMCMSMCDF-CMPLNLGQSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017122 663644493 /nfs/dbraw/zinc/64/44/93/663644493.db2.gz SPBUUSSCNYOXQR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017122 663644497 /nfs/dbraw/zinc/64/44/97/663644497.db2.gz SPBUUSSCNYOXQR-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033021708 663644692 /nfs/dbraw/zinc/64/46/92/663644692.db2.gz CSGJIHGAIRTJFT-NXEZZACHSA-N 1 1 308.342 -1.595 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033021708 663644694 /nfs/dbraw/zinc/64/46/94/663644694.db2.gz CSGJIHGAIRTJFT-NXEZZACHSA-N 1 1 308.342 -1.595 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922350379 663644700 /nfs/dbraw/zinc/64/47/00/663644700.db2.gz KRBWTGDXTYIZLN-ZDUSSCGKSA-N 1 1 323.401 -1.414 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033018167 663644862 /nfs/dbraw/zinc/64/48/62/663644862.db2.gz ADUBDHGMLCRCRO-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033018167 663644869 /nfs/dbraw/zinc/64/48/69/663644869.db2.gz ADUBDHGMLCRCRO-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001033024503 663645305 /nfs/dbraw/zinc/64/53/05/663645305.db2.gz XRTWYXVUBFKLQF-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004073711 663645386 /nfs/dbraw/zinc/64/53/86/663645386.db2.gz DYBCBJLBTXBWBV-GFCCVEGCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 ZINC001004098250 663645462 /nfs/dbraw/zinc/64/54/62/663645462.db2.gz SZTYVIYNNCXCGR-SECBINFHSA-N 1 1 307.354 -1.152 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001004134829 663645941 /nfs/dbraw/zinc/64/59/41/663645941.db2.gz UGWSZENOUTYGHV-UHFFFAOYSA-N 1 1 323.353 -1.574 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001004107072 663646108 /nfs/dbraw/zinc/64/61/08/663646108.db2.gz CATLMVKVQAHPNZ-QMMMGPOBSA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033049856 663646283 /nfs/dbraw/zinc/64/62/83/663646283.db2.gz YITXSZHPVKVXIG-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033049856 663646284 /nfs/dbraw/zinc/64/62/84/663646284.db2.gz YITXSZHPVKVXIG-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cncc(C(N)=O)c2)CC1 ZINC001004165773 663646689 /nfs/dbraw/zinc/64/66/89/663646689.db2.gz FQFCNSXPQIWVDV-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033059494 663646994 /nfs/dbraw/zinc/64/69/94/663646994.db2.gz YQWZAPDAKYKOGN-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033059494 663646996 /nfs/dbraw/zinc/64/69/96/663646996.db2.gz YQWZAPDAKYKOGN-ZJUUUORDSA-N 1 1 320.353 -1.233 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004264616 663647552 /nfs/dbraw/zinc/64/75/52/663647552.db2.gz RWJVFWCKIRWVEN-RYUDHWBXSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC001004212254 663647743 /nfs/dbraw/zinc/64/77/43/663647743.db2.gz XTBJQMYROMQKHQ-MXWKQRLJSA-N 1 1 305.338 -1.075 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033084114 663647913 /nfs/dbraw/zinc/64/79/13/663647913.db2.gz BIDNHIOHDQUPIH-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033083858 663647950 /nfs/dbraw/zinc/64/79/50/663647950.db2.gz AQEQJBNZVNAPOA-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033083858 663647951 /nfs/dbraw/zinc/64/79/51/663647951.db2.gz AQEQJBNZVNAPOA-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033081715 663647962 /nfs/dbraw/zinc/64/79/62/663647962.db2.gz KWKNDHHFAZESJD-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033081715 663647963 /nfs/dbraw/zinc/64/79/63/663647963.db2.gz KWKNDHHFAZESJD-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033079539 663648051 /nfs/dbraw/zinc/64/80/51/663648051.db2.gz ZEICGTYXBFRTEV-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033079539 663648054 /nfs/dbraw/zinc/64/80/54/663648054.db2.gz ZEICGTYXBFRTEV-LLVKDONJSA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033083862 663648097 /nfs/dbraw/zinc/64/80/97/663648097.db2.gz AQEQJBNZVNAPOA-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033083862 663648101 /nfs/dbraw/zinc/64/81/01/663648101.db2.gz AQEQJBNZVNAPOA-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1)C1CC1 ZINC001033077853 663648151 /nfs/dbraw/zinc/64/81/51/663648151.db2.gz JHGPIBLYJPILFG-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1)C1CC1 ZINC001033077853 663648153 /nfs/dbraw/zinc/64/81/53/663648153.db2.gz JHGPIBLYJPILFG-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)CC[C@@H]2C1 ZINC000946592793 663648407 /nfs/dbraw/zinc/64/84/07/663648407.db2.gz XXKFFZCKPHLGOF-SDDRHHMPSA-N 1 1 321.385 -1.283 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033097040 663648518 /nfs/dbraw/zinc/64/85/18/663648518.db2.gz UGYJDOKRKHTBDK-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(C(N)=O)ccn2)CC1 ZINC001004294604 663648670 /nfs/dbraw/zinc/64/86/70/663648670.db2.gz RIKXBFWAPJRWQU-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)C2 ZINC001004457219 663649755 /nfs/dbraw/zinc/64/97/55/663649755.db2.gz NFQVSNVBGYNBLO-NSHDSACASA-N 1 1 319.365 -1.186 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001033123837 663650945 /nfs/dbraw/zinc/65/09/45/663650945.db2.gz SEJWDCJPJNZYKW-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001033123837 663650951 /nfs/dbraw/zinc/65/09/51/663650951.db2.gz SEJWDCJPJNZYKW-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001033130648 663651090 /nfs/dbraw/zinc/65/10/90/663651090.db2.gz GYTJCRUSXYOFAB-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033127254 663651134 /nfs/dbraw/zinc/65/11/34/663651134.db2.gz SQZZDLHEVOONRJ-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001004532769 663651251 /nfs/dbraw/zinc/65/12/51/663651251.db2.gz VLFAVJWNNPJKHC-NEPJUHHUSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033132131 663651557 /nfs/dbraw/zinc/65/15/57/663651557.db2.gz QIEQSLHARUAXMM-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033145304 663651587 /nfs/dbraw/zinc/65/15/87/663651587.db2.gz KXJAJMLJYZPOMB-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033145304 663651589 /nfs/dbraw/zinc/65/15/89/663651589.db2.gz KXJAJMLJYZPOMB-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033157806 663652368 /nfs/dbraw/zinc/65/23/68/663652368.db2.gz SPVNTUTYBPXSDS-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033157806 663652371 /nfs/dbraw/zinc/65/23/71/663652371.db2.gz SPVNTUTYBPXSDS-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153204 663652430 /nfs/dbraw/zinc/65/24/30/663652430.db2.gz FNCFWFKINVTYEI-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153204 663652432 /nfs/dbraw/zinc/65/24/32/663652432.db2.gz FNCFWFKINVTYEI-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033162906 663652583 /nfs/dbraw/zinc/65/25/83/663652583.db2.gz VIMOBXBTMVAYPJ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033162906 663652584 /nfs/dbraw/zinc/65/25/84/663652584.db2.gz VIMOBXBTMVAYPJ-JQWIXIFHSA-N 1 1 319.365 -1.185 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033160337 663652810 /nfs/dbraw/zinc/65/28/10/663652810.db2.gz FHTOCFIDKKBMCY-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033160337 663652812 /nfs/dbraw/zinc/65/28/12/663652812.db2.gz FHTOCFIDKKBMCY-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)CC[C@@H]2C1 ZINC000946710186 663653466 /nfs/dbraw/zinc/65/34/66/663653466.db2.gz IKRIQRSCNZXCAO-TUAOUCFPSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)CC[C@@H]2C1 ZINC000946743189 663653911 /nfs/dbraw/zinc/65/39/11/663653911.db2.gz OJQPUMZEPXCATF-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)n1 ZINC000946752034 663654194 /nfs/dbraw/zinc/65/41/94/663654194.db2.gz PLPAOCMDJMWYTH-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO COC(=O)[C@]12C[N@H+](Cc3nc(N)nc(N)n3)C[C@H]1COCC2 ZINC000361453935 663654318 /nfs/dbraw/zinc/65/43/18/663654318.db2.gz LHSHZRRTABTIFG-ISVAXAHUSA-N 1 1 308.342 -1.292 20 0 DAADMO COC(=O)[C@]12C[N@@H+](Cc3nc(N)nc(N)n3)C[C@H]1COCC2 ZINC000361453935 663654320 /nfs/dbraw/zinc/65/43/20/663654320.db2.gz LHSHZRRTABTIFG-ISVAXAHUSA-N 1 1 308.342 -1.292 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751971 663654380 /nfs/dbraw/zinc/65/43/80/663654380.db2.gz MUSWWANLCQQCRF-GARJFASQSA-N 1 1 321.385 -1.073 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)nn1 ZINC000946752008 663654410 /nfs/dbraw/zinc/65/44/10/663654410.db2.gz OCIROFXTSBRXDE-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1ncnc1C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751844 663654423 /nfs/dbraw/zinc/65/44/23/663654423.db2.gz HAXPMDUEWPJJJJ-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1ncnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751844 663654426 /nfs/dbraw/zinc/65/44/26/663654426.db2.gz HAXPMDUEWPJJJJ-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033208870 663654800 /nfs/dbraw/zinc/65/48/00/663654800.db2.gz SYYHYWAWXBMPTQ-WDEREUQCSA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033208870 663654803 /nfs/dbraw/zinc/65/48/03/663654803.db2.gz SYYHYWAWXBMPTQ-WDEREUQCSA-N 1 1 322.369 -1.997 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206690 663654851 /nfs/dbraw/zinc/65/48/51/663654851.db2.gz IKZGLMGWHYZNBR-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206690 663654854 /nfs/dbraw/zinc/65/48/54/663654854.db2.gz IKZGLMGWHYZNBR-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203054 663655027 /nfs/dbraw/zinc/65/50/27/663655027.db2.gz BIABBWMVJUTWAQ-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203054 663655032 /nfs/dbraw/zinc/65/50/32/663655032.db2.gz BIABBWMVJUTWAQ-GHMZBOCLSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225197 663655470 /nfs/dbraw/zinc/65/54/70/663655470.db2.gz OEWXZPZGZXPPPQ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225197 663655473 /nfs/dbraw/zinc/65/54/73/663655473.db2.gz OEWXZPZGZXPPPQ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033228699 663655684 /nfs/dbraw/zinc/65/56/84/663655684.db2.gz NJWOPEYTACDMFT-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033228699 663655686 /nfs/dbraw/zinc/65/56/86/663655686.db2.gz NJWOPEYTACDMFT-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033223603 663655939 /nfs/dbraw/zinc/65/59/39/663655939.db2.gz YSYPINVZAIJAHY-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241057 663656436 /nfs/dbraw/zinc/65/64/36/663656436.db2.gz SEMDYUXFQSLRQJ-GHMZBOCLSA-N 1 1 310.354 -1.138 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033275117 663656691 /nfs/dbraw/zinc/65/66/91/663656691.db2.gz FBOZYKGTNNPXKM-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033275117 663656692 /nfs/dbraw/zinc/65/66/92/663656692.db2.gz FBOZYKGTNNPXKM-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275505 663656856 /nfs/dbraw/zinc/65/68/56/663656856.db2.gz IQODHRIYHRPIIH-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001033275505 663656858 /nfs/dbraw/zinc/65/68/58/663656858.db2.gz IQODHRIYHRPIIH-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C(=O)CN1CCCCS1(=O)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033265891 663656961 /nfs/dbraw/zinc/65/69/61/663656961.db2.gz KVMBJZNUQRBFDF-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033288163 663657275 /nfs/dbraw/zinc/65/72/75/663657275.db2.gz CEUCPULYJZQUDL-PWSUYJOCSA-N 1 1 307.354 -1.110 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005089593 663657294 /nfs/dbraw/zinc/65/72/94/663657294.db2.gz WATBGXIVLBSAKQ-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)nn1-c1nc[nH]n1 ZINC001033315063 663657715 /nfs/dbraw/zinc/65/77/15/663657715.db2.gz IOKWNURIPWEEAY-SNVBAGLBSA-N 1 1 320.357 -1.168 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326136 663658278 /nfs/dbraw/zinc/65/82/78/663658278.db2.gz AEDUULQZFPFKHY-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033326136 663658279 /nfs/dbraw/zinc/65/82/79/663658279.db2.gz AEDUULQZFPFKHY-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033327356 663658281 /nfs/dbraw/zinc/65/82/81/663658281.db2.gz IHGUSKXDIXKZRX-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033327356 663658282 /nfs/dbraw/zinc/65/82/82/663658282.db2.gz IHGUSKXDIXKZRX-QWRGUYRKSA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033329391 663658370 /nfs/dbraw/zinc/65/83/70/663658370.db2.gz ULGNNZCAHLGJBK-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033329391 663658371 /nfs/dbraw/zinc/65/83/71/663658371.db2.gz ULGNNZCAHLGJBK-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033322436 663658457 /nfs/dbraw/zinc/65/84/57/663658457.db2.gz VIAYSUVYQHFDQE-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033322436 663658458 /nfs/dbraw/zinc/65/84/58/663658458.db2.gz VIAYSUVYQHFDQE-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327949 663658492 /nfs/dbraw/zinc/65/84/92/663658492.db2.gz LYUNLAQGGBCFKK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033326991 663658524 /nfs/dbraw/zinc/65/85/24/663658524.db2.gz FLVRZSBWOWWQPB-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033326991 663658525 /nfs/dbraw/zinc/65/85/25/663658525.db2.gz FLVRZSBWOWWQPB-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033329809 663658598 /nfs/dbraw/zinc/65/85/98/663658598.db2.gz VWBFCLAOUIKLLN-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033329809 663658600 /nfs/dbraw/zinc/65/86/00/663658600.db2.gz VWBFCLAOUIKLLN-NSHDSACASA-N 1 1 311.386 -2.303 20 0 DAADMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625712936 663658726 /nfs/dbraw/zinc/65/87/26/663658726.db2.gz KJBBNYVKBBQBNK-AVGNSLFASA-N 1 1 321.381 -1.449 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@H](O)[C@@H](O)C2)C1 ZINC000625712246 663658735 /nfs/dbraw/zinc/65/87/35/663658735.db2.gz SHSQCMGVBXCJBX-IHRRRGAJSA-N 1 1 315.414 -1.503 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033330348 663658880 /nfs/dbraw/zinc/65/88/80/663658880.db2.gz ZLUQVKJZZOEQQT-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033338071 663658900 /nfs/dbraw/zinc/65/89/00/663658900.db2.gz URFUQKOUWVPDME-SNVBAGLBSA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033334783 663659044 /nfs/dbraw/zinc/65/90/44/663659044.db2.gz WURVNZKRACMOOW-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033337039 663659080 /nfs/dbraw/zinc/65/90/80/663659080.db2.gz DDBJXHXLEXOZTH-BDAKNGLRSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033337039 663659081 /nfs/dbraw/zinc/65/90/81/663659081.db2.gz DDBJXHXLEXOZTH-BDAKNGLRSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033332683 663659084 /nfs/dbraw/zinc/65/90/84/663659084.db2.gz OJXWHGXTQFEQEB-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033338070 663659092 /nfs/dbraw/zinc/65/90/92/663659092.db2.gz URFUQKOUWVPDME-JTQLQIEISA-N 1 1 322.373 -1.618 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033379619 663659424 /nfs/dbraw/zinc/65/94/24/663659424.db2.gz NIVIZOLBULFRHD-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033379619 663659427 /nfs/dbraw/zinc/65/94/27/663659427.db2.gz NIVIZOLBULFRHD-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033380727 663659444 /nfs/dbraw/zinc/65/94/44/663659444.db2.gz SVZISMHICQYREV-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347693 663659552 /nfs/dbraw/zinc/65/95/52/663659552.db2.gz ZKTJYECMAPCSTN-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)c3nnn(C)n3)C2)C1=O ZINC001033347693 663659554 /nfs/dbraw/zinc/65/95/54/663659554.db2.gz ZKTJYECMAPCSTN-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346837 663659577 /nfs/dbraw/zinc/65/95/77/663659577.db2.gz VDCXNWSQDQTNEY-VHSXEESVSA-N 1 1 309.374 -1.167 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033346837 663659579 /nfs/dbraw/zinc/65/95/79/663659579.db2.gz VDCXNWSQDQTNEY-VHSXEESVSA-N 1 1 309.374 -1.167 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001033375989 663659768 /nfs/dbraw/zinc/65/97/68/663659768.db2.gz MDGBCSWYQHNVFW-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001033375989 663659770 /nfs/dbraw/zinc/65/97/70/663659770.db2.gz MDGBCSWYQHNVFW-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374177 663659804 /nfs/dbraw/zinc/65/98/04/663659804.db2.gz URRZONCYXFPIHR-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001033374177 663659805 /nfs/dbraw/zinc/65/98/05/663659805.db2.gz URRZONCYXFPIHR-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001033376168 663660004 /nfs/dbraw/zinc/66/00/04/663660004.db2.gz NDMCDQHNVJAHKX-LLVKDONJSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001033376168 663660006 /nfs/dbraw/zinc/66/00/06/663660006.db2.gz NDMCDQHNVJAHKX-LLVKDONJSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033371719 663660198 /nfs/dbraw/zinc/66/01/98/663660198.db2.gz BPIHHURNMFCUOT-GHMZBOCLSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033427061 663660432 /nfs/dbraw/zinc/66/04/32/663660432.db2.gz XHCFKZMZYOZLOV-TUAOUCFPSA-N 1 1 306.370 -1.068 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033379063 663660496 /nfs/dbraw/zinc/66/04/96/663660496.db2.gz JOXCSOQEDSRXQL-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033379063 663660497 /nfs/dbraw/zinc/66/04/97/663660497.db2.gz JOXCSOQEDSRXQL-WDEREUQCSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001033382572 663660782 /nfs/dbraw/zinc/66/07/82/663660782.db2.gz FNCMSBVKXKWUGO-VIFPVBQESA-N 1 1 323.353 -2.398 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001033382572 663660785 /nfs/dbraw/zinc/66/07/85/663660785.db2.gz FNCMSBVKXKWUGO-VIFPVBQESA-N 1 1 323.353 -2.398 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033472284 663661015 /nfs/dbraw/zinc/66/10/15/663661015.db2.gz GOYLYTLVMNGHTN-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033475950 663661469 /nfs/dbraw/zinc/66/14/69/663661469.db2.gz YHDJTIVPDIAMBM-GHMZBOCLSA-N 1 1 324.381 -1.389 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033464108 663661656 /nfs/dbraw/zinc/66/16/56/663661656.db2.gz WGUYWPJJHMPIFS-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033464108 663661660 /nfs/dbraw/zinc/66/16/60/663661660.db2.gz WGUYWPJJHMPIFS-BDAKNGLRSA-N 1 1 311.342 -2.137 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001033475953 663661669 /nfs/dbraw/zinc/66/16/69/663661669.db2.gz YHDJTIVPDIAMBM-MNOVXSKESA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C(=O)C1(n2cnnn2)CCOCC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033490524 663661884 /nfs/dbraw/zinc/66/18/84/663661884.db2.gz SVJLDZXDLPSXFR-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502997 663662147 /nfs/dbraw/zinc/66/21/47/663662147.db2.gz UUDKRBNRDPVZKK-PSASIEDQSA-N 1 1 310.354 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033502997 663662150 /nfs/dbraw/zinc/66/21/50/663662150.db2.gz UUDKRBNRDPVZKK-PSASIEDQSA-N 1 1 310.354 -1.554 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033499117 663662296 /nfs/dbraw/zinc/66/22/96/663662296.db2.gz URMXNTVRPSSJKB-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033499117 663662301 /nfs/dbraw/zinc/66/23/01/663662301.db2.gz URMXNTVRPSSJKB-SNVBAGLBSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033554625 663663095 /nfs/dbraw/zinc/66/30/95/663663095.db2.gz HBTNARCSFCPCDK-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C(=O)CN1CCC(=O)NC1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033555784 663663180 /nfs/dbraw/zinc/66/31/80/663663180.db2.gz BJYQZMGKPBBTBH-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001033577750 663663624 /nfs/dbraw/zinc/66/36/24/663663624.db2.gz PULSHPCDYDINBL-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033583518 663664089 /nfs/dbraw/zinc/66/40/89/663664089.db2.gz RHIUMWSAPWJODN-JTQLQIEISA-N 1 1 320.353 -1.054 20 0 DAADMO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033584338 663664249 /nfs/dbraw/zinc/66/42/49/663664249.db2.gz ZRKWFSSERLSRNF-VIFPVBQESA-N 1 1 306.326 -1.444 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033642743 663664924 /nfs/dbraw/zinc/66/49/24/663664924.db2.gz SGMPQDJNRWZZOF-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033642743 663664927 /nfs/dbraw/zinc/66/49/27/663664927.db2.gz SGMPQDJNRWZZOF-GHMZBOCLSA-N 1 1 320.353 -1.384 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646727 663664983 /nfs/dbraw/zinc/66/49/83/663664983.db2.gz SULZDTZTLTZRMF-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646727 663664984 /nfs/dbraw/zinc/66/49/84/663664984.db2.gz SULZDTZTLTZRMF-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642185 663665286 /nfs/dbraw/zinc/66/52/86/663665286.db2.gz JIXIXZWUTOADNR-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642185 663665287 /nfs/dbraw/zinc/66/52/87/663665287.db2.gz JIXIXZWUTOADNR-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646726 663665317 /nfs/dbraw/zinc/66/53/17/663665317.db2.gz SULZDTZTLTZRMF-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646726 663665320 /nfs/dbraw/zinc/66/53/20/663665320.db2.gz SULZDTZTLTZRMF-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670340 663665819 /nfs/dbraw/zinc/66/58/19/663665819.db2.gz ADFFAWKGHYCJSB-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670340 663665820 /nfs/dbraw/zinc/66/58/20/663665820.db2.gz ADFFAWKGHYCJSB-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033644668 663665824 /nfs/dbraw/zinc/66/58/24/663665824.db2.gz ORROBMJEIQCYLF-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033644668 663665825 /nfs/dbraw/zinc/66/58/25/663665825.db2.gz ORROBMJEIQCYLF-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670341 663666076 /nfs/dbraw/zinc/66/60/76/663666076.db2.gz ADFFAWKGHYCJSB-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CCN(CC(=O)NC)C2)C1 ZINC001033670341 663666080 /nfs/dbraw/zinc/66/60/80/663666080.db2.gz ADFFAWKGHYCJSB-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001033643239 663666159 /nfs/dbraw/zinc/66/61/59/663666159.db2.gz WFKNMQOHXOQTGS-QWRGUYRKSA-N 1 1 312.370 -1.206 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033658160 663666170 /nfs/dbraw/zinc/66/61/70/663666170.db2.gz DIPXPUCRHYJPKI-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033658160 663666171 /nfs/dbraw/zinc/66/61/71/663666171.db2.gz DIPXPUCRHYJPKI-VIFPVBQESA-N 1 1 323.353 -1.622 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033686997 663666678 /nfs/dbraw/zinc/66/66/78/663666678.db2.gz WBTGDGXXFLDXTI-MNOVXSKESA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)nn1 ZINC001033689584 663666778 /nfs/dbraw/zinc/66/67/78/663666778.db2.gz GIHWLTUZLDEBKZ-LLVKDONJSA-N 1 1 324.385 -1.495 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)CN2CN=NC2=O)CC1 ZINC001005291639 663666799 /nfs/dbraw/zinc/66/67/99/663666799.db2.gz XAYMIXMYEKAEQW-UHFFFAOYSA-N 1 1 324.385 -1.005 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033711831 663666806 /nfs/dbraw/zinc/66/68/06/663666806.db2.gz DCASISJJRGKFGA-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001033711831 663666809 /nfs/dbraw/zinc/66/68/09/663666809.db2.gz DCASISJJRGKFGA-ZJUUUORDSA-N 1 1 310.354 -1.682 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684629 663666913 /nfs/dbraw/zinc/66/69/13/663666913.db2.gz GQTPLGPFVYXAIS-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033921652 663668069 /nfs/dbraw/zinc/66/80/69/663668069.db2.gz DMEZHGFDAKVMPB-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033921652 663668071 /nfs/dbraw/zinc/66/80/71/663668071.db2.gz DMEZHGFDAKVMPB-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033937057 663668356 /nfs/dbraw/zinc/66/83/56/663668356.db2.gz FRVWVZIFEGDCCD-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033937057 663668359 /nfs/dbraw/zinc/66/83/59/663668359.db2.gz FRVWVZIFEGDCCD-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033986459 663668513 /nfs/dbraw/zinc/66/85/13/663668513.db2.gz RTICZTBBMNLXMO-GXSJLCMTSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033986459 663668515 /nfs/dbraw/zinc/66/85/15/663668515.db2.gz RTICZTBBMNLXMO-GXSJLCMTSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033936385 663668519 /nfs/dbraw/zinc/66/85/19/663668519.db2.gz ABEGINCLCRSPEX-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033937058 663668741 /nfs/dbraw/zinc/66/87/41/663668741.db2.gz FRVWVZIFEGDCCD-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033937058 663668743 /nfs/dbraw/zinc/66/87/43/663668743.db2.gz FRVWVZIFEGDCCD-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034094311 663668955 /nfs/dbraw/zinc/66/89/55/663668955.db2.gz JEXCIQRIWNJVGA-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034094311 663668957 /nfs/dbraw/zinc/66/89/57/663668957.db2.gz JEXCIQRIWNJVGA-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034101171 663668979 /nfs/dbraw/zinc/66/89/79/663668979.db2.gz SRZTVMDPXMGHEJ-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034094006 663669075 /nfs/dbraw/zinc/66/90/75/663669075.db2.gz HUYOBKNOOWAXDN-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034093972 663669195 /nfs/dbraw/zinc/66/91/95/663669195.db2.gz HNBVLYGCOCWARR-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034093972 663669196 /nfs/dbraw/zinc/66/91/96/663669196.db2.gz HNBVLYGCOCWARR-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034094612 663669236 /nfs/dbraw/zinc/66/92/36/663669236.db2.gz NFJPLODWKIZJSG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034094612 663669239 /nfs/dbraw/zinc/66/92/39/663669239.db2.gz NFJPLODWKIZJSG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001034095255 663669276 /nfs/dbraw/zinc/66/92/76/663669276.db2.gz RYLPVKFLBVUBLR-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034101170 663669287 /nfs/dbraw/zinc/66/92/87/663669287.db2.gz SRZTVMDPXMGHEJ-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001034095260 663669290 /nfs/dbraw/zinc/66/92/90/663669290.db2.gz RYLPVKFLBVUBLR-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034095346 663669297 /nfs/dbraw/zinc/66/92/97/663669297.db2.gz TZHSECCYYOZYIY-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034095346 663669298 /nfs/dbraw/zinc/66/92/98/663669298.db2.gz TZHSECCYYOZYIY-MNOVXSKESA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034094310 663669304 /nfs/dbraw/zinc/66/93/04/663669304.db2.gz JEXCIQRIWNJVGA-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034094310 663669305 /nfs/dbraw/zinc/66/93/05/663669305.db2.gz JEXCIQRIWNJVGA-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001034094004 663669324 /nfs/dbraw/zinc/66/93/24/663669324.db2.gz HUYOBKNOOWAXDN-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034096512 663669383 /nfs/dbraw/zinc/66/93/83/663669383.db2.gz DNUXPGTZCPTRNL-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001034210234 663669598 /nfs/dbraw/zinc/66/95/98/663669598.db2.gz GCTIJWFPHJYKLB-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001034210234 663669599 /nfs/dbraw/zinc/66/95/99/663669599.db2.gz GCTIJWFPHJYKLB-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001034212683 663669616 /nfs/dbraw/zinc/66/96/16/663669616.db2.gz QJNOJBKUTKHBNB-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCCC[N@H+](CC(=O)NC2CC2)C1 ZINC001034212683 663669618 /nfs/dbraw/zinc/66/96/18/663669618.db2.gz QJNOJBKUTKHBNB-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001034209021 663669726 /nfs/dbraw/zinc/66/97/26/663669726.db2.gz WKHLDCYANOBZGR-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001034175290 663669763 /nfs/dbraw/zinc/66/97/63/663669763.db2.gz OGGBBZDWLMTLBI-WDEREUQCSA-N 1 1 322.369 -1.157 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034206885 663669791 /nfs/dbraw/zinc/66/97/91/663669791.db2.gz GJEALZUTPAYTDA-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO COCC[N@H+]1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034218054 663669959 /nfs/dbraw/zinc/66/99/59/663669959.db2.gz YNBCWLKGRJEZDT-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220725 663669979 /nfs/dbraw/zinc/66/99/79/663669979.db2.gz WKJNNXCJNVDSAP-VIFPVBQESA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220725 663669982 /nfs/dbraw/zinc/66/99/82/663669982.db2.gz WKJNNXCJNVDSAP-VIFPVBQESA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001034246119 663670163 /nfs/dbraw/zinc/67/01/63/663670163.db2.gz CFWXKSSSNKVOPR-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001034246119 663670164 /nfs/dbraw/zinc/67/01/64/663670164.db2.gz CFWXKSSSNKVOPR-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)CC1=O ZINC001034283240 663670368 /nfs/dbraw/zinc/67/03/68/663670368.db2.gz TVQWYHZTRQMMKM-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001034339978 663670426 /nfs/dbraw/zinc/67/04/26/663670426.db2.gz KSQQHSAWSOUTIG-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001034339978 663670428 /nfs/dbraw/zinc/67/04/28/663670428.db2.gz KSQQHSAWSOUTIG-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)c1=O ZINC001034278843 663670527 /nfs/dbraw/zinc/67/05/27/663670527.db2.gz GEQPJMCFHNTNTP-GFCCVEGCSA-N 1 1 311.386 -1.065 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034301377 663670640 /nfs/dbraw/zinc/67/06/40/663670640.db2.gz LOMWYBSHDYFVKA-LLVKDONJSA-N 1 1 310.354 -1.088 20 0 DAADMO CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001034322347 663670704 /nfs/dbraw/zinc/67/07/04/663670704.db2.gz FPSBRUZGLZILCL-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001034322347 663670707 /nfs/dbraw/zinc/67/07/07/663670707.db2.gz FPSBRUZGLZILCL-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034232600 663670712 /nfs/dbraw/zinc/67/07/12/663670712.db2.gz VLYALNLJNYWHBN-GFCCVEGCSA-N 1 1 319.427 -1.015 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379762 663670853 /nfs/dbraw/zinc/67/08/53/663670853.db2.gz QOICYEOEWOTTJZ-NEPJUHHUSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379762 663670857 /nfs/dbraw/zinc/67/08/57/663670857.db2.gz QOICYEOEWOTTJZ-NEPJUHHUSA-N 1 1 323.397 -1.083 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001034371239 663670876 /nfs/dbraw/zinc/67/08/76/663670876.db2.gz APZSEXFBYZVMBR-MNOVXSKESA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001034371239 663670880 /nfs/dbraw/zinc/67/08/80/663670880.db2.gz APZSEXFBYZVMBR-MNOVXSKESA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034345688 663671036 /nfs/dbraw/zinc/67/10/36/663671036.db2.gz QDZAXFKVISFPNJ-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034377949 663671087 /nfs/dbraw/zinc/67/10/87/663671087.db2.gz GQZSBKDSUDXWAZ-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001034377949 663671089 /nfs/dbraw/zinc/67/10/89/663671089.db2.gz GQZSBKDSUDXWAZ-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001034346317 663671092 /nfs/dbraw/zinc/67/10/92/663671092.db2.gz BREQNWIUGBZCMS-NXEZZACHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001034346317 663671094 /nfs/dbraw/zinc/67/10/94/663671094.db2.gz BREQNWIUGBZCMS-NXEZZACHSA-N 1 1 307.358 -1.317 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001034372891 663671136 /nfs/dbraw/zinc/67/11/36/663671136.db2.gz QFNHNJGXSNBATD-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034345395 663671197 /nfs/dbraw/zinc/67/11/97/663671197.db2.gz NUTTZNRDSPYDJT-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001034346320 663671199 /nfs/dbraw/zinc/67/11/99/663671199.db2.gz BREQNWIUGBZCMS-VHSXEESVSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001034346320 663671200 /nfs/dbraw/zinc/67/12/00/663671200.db2.gz BREQNWIUGBZCMS-VHSXEESVSA-N 1 1 307.358 -1.317 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001034383855 663671202 /nfs/dbraw/zinc/67/12/02/663671202.db2.gz YXDARWSIWJKOLZ-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001034379853 663671223 /nfs/dbraw/zinc/67/12/23/663671223.db2.gz FPDBACADVKEZOF-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001034383852 663671240 /nfs/dbraw/zinc/67/12/40/663671240.db2.gz YXDARWSIWJKOLZ-NEPJUHHUSA-N 1 1 309.370 -1.300 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034345687 663671426 /nfs/dbraw/zinc/67/14/26/663671426.db2.gz QDZAXFKVISFPNJ-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001034531620 663671566 /nfs/dbraw/zinc/67/15/66/663671566.db2.gz MAXZYFFTTKZEOB-MNOVXSKESA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034473584 663671610 /nfs/dbraw/zinc/67/16/10/663671610.db2.gz JQLBBNOSEDXHJJ-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450304 663671653 /nfs/dbraw/zinc/67/16/53/663671653.db2.gz ZUVTWYDEAKPAHV-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034450304 663671655 /nfs/dbraw/zinc/67/16/55/663671655.db2.gz ZUVTWYDEAKPAHV-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449916 663671684 /nfs/dbraw/zinc/67/16/84/663671684.db2.gz VYMRZQGMMMFFOG-KOLCDFICSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449916 663671686 /nfs/dbraw/zinc/67/16/86/663671686.db2.gz VYMRZQGMMMFFOG-KOLCDFICSA-N 1 1 324.381 -1.116 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)c(=O)n1C ZINC001034508326 663671735 /nfs/dbraw/zinc/67/17/35/663671735.db2.gz HMGPPMVRYRVLIJ-LBPRGKRZSA-N 1 1 311.386 -1.147 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)c(=O)n(C)c1=O ZINC001034424336 663671763 /nfs/dbraw/zinc/67/17/63/663671763.db2.gz QKIUUCKTXMVSIO-NSHDSACASA-N 1 1 324.381 -1.339 20 0 DAADMO O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001034420396 663671926 /nfs/dbraw/zinc/67/19/26/663671926.db2.gz HSCXOPLKWHVSJA-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515423 663672019 /nfs/dbraw/zinc/67/20/19/663672019.db2.gz HCWCZWFAYJRMGB-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001034515423 663672021 /nfs/dbraw/zinc/67/20/21/663672021.db2.gz HCWCZWFAYJRMGB-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001034447023 663672038 /nfs/dbraw/zinc/67/20/38/663672038.db2.gz DOPZYHQHMQUFOZ-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001034532065 663672194 /nfs/dbraw/zinc/67/21/94/663672194.db2.gz OYQDZCKXWKSNPG-NXEZZACHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001034532065 663672196 /nfs/dbraw/zinc/67/21/96/663672196.db2.gz OYQDZCKXWKSNPG-NXEZZACHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)nn1 ZINC001034544271 663672218 /nfs/dbraw/zinc/67/22/18/663672218.db2.gz PEJFNKCTRYTMDN-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO COCC[N@H+]1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034543896 663672237 /nfs/dbraw/zinc/67/22/37/663672237.db2.gz LZEXOGPSRRVRLK-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001034551731 663672262 /nfs/dbraw/zinc/67/22/62/663672262.db2.gz HIYUVBYDJZVALH-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001034551731 663672267 /nfs/dbraw/zinc/67/22/67/663672267.db2.gz HIYUVBYDJZVALH-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034544631 663672293 /nfs/dbraw/zinc/67/22/93/663672293.db2.gz RDQMAZQAKWDLKA-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@H+]1CCCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001034543895 663672409 /nfs/dbraw/zinc/67/24/09/663672409.db2.gz LZEXOGPSRRVRLK-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034560027 663672514 /nfs/dbraw/zinc/67/25/14/663672514.db2.gz UAYGVJLIUIVMTM-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034560027 663672516 /nfs/dbraw/zinc/67/25/16/663672516.db2.gz UAYGVJLIUIVMTM-VHSXEESVSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC001005625670 663672816 /nfs/dbraw/zinc/67/28/16/663672816.db2.gz MKIMPQQKDTUVRJ-JTQLQIEISA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)Cn2ncn(C)c2=O)CC1 ZINC001005625671 663673088 /nfs/dbraw/zinc/67/30/88/663673088.db2.gz MKIMPQQKDTUVRJ-SNVBAGLBSA-N 1 1 324.385 -1.622 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC001034720389 663673652 /nfs/dbraw/zinc/67/36/52/663673652.db2.gz DUHKBGJJOIMMTG-GUBZILKMSA-N 1 1 322.373 -1.592 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)c1nccnc1N ZINC001034886743 663675076 /nfs/dbraw/zinc/67/50/76/663675076.db2.gz KXRRHBZZPUJNHS-SECBINFHSA-N 1 1 317.357 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001034891077 663675221 /nfs/dbraw/zinc/67/52/21/663675221.db2.gz MCQCDUXKOXLBJH-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cnnn2)[nH]1 ZINC001034854772 663675371 /nfs/dbraw/zinc/67/53/71/663675371.db2.gz FMJKZNWGLFEXTP-SNVBAGLBSA-N 1 1 305.346 -1.120 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)Cn2cnnn2)n1 ZINC001034853093 663675516 /nfs/dbraw/zinc/67/55/16/663675516.db2.gz XIQXDKXYTABZMN-LLVKDONJSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1nccn1 ZINC001034946214 663675879 /nfs/dbraw/zinc/67/58/79/663675879.db2.gz WBPNQTYIGDQUBJ-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001034937600 663676011 /nfs/dbraw/zinc/67/60/11/663676011.db2.gz ZCLZYZPZVBWAKB-SNVBAGLBSA-N 1 1 305.346 -1.418 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)C1=O ZINC001035021092 663676502 /nfs/dbraw/zinc/67/65/02/663676502.db2.gz RXCITZUTPDYOPS-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(C)CNC(=O)C1 ZINC001034999828 663676683 /nfs/dbraw/zinc/67/66/83/663676683.db2.gz KJVSYEKPCRWQGK-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2C)NC1=O ZINC001035014670 663676722 /nfs/dbraw/zinc/67/67/22/663676722.db2.gz PENMMKGUTRSQTA-MNOVXSKESA-N 1 1 321.385 -1.081 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)C(N)=O ZINC001035032338 663676871 /nfs/dbraw/zinc/67/68/71/663676871.db2.gz QVEINMMGTRMYNS-SECBINFHSA-N 1 1 309.374 -1.006 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001035031578 663677046 /nfs/dbraw/zinc/67/70/46/663677046.db2.gz YPBVUHUXJYEWPG-ZJUUUORDSA-N 1 1 307.358 -1.125 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(C)CCNC1=O ZINC001035046702 663677074 /nfs/dbraw/zinc/67/70/74/663677074.db2.gz BNBGAEWZCOIGBW-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035221227 663677454 /nfs/dbraw/zinc/67/74/54/663677454.db2.gz ZYWSGUSQPWXTSF-UHFFFAOYSA-N 1 1 317.411 -1.169 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035221137 663677491 /nfs/dbraw/zinc/67/74/91/663677491.db2.gz VWICRRLOQDYSHN-SNVBAGLBSA-N 1 1 309.370 -1.532 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035156937 663677791 /nfs/dbraw/zinc/67/77/91/663677791.db2.gz FPSVDDDXWURLKF-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC001035210916 663677816 /nfs/dbraw/zinc/67/78/16/663677816.db2.gz FYZZLLKPYXNWJK-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO Cn1nnnc1CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035305736 663678551 /nfs/dbraw/zinc/67/85/51/663678551.db2.gz DSELARDRSCQKEK-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325805 663679277 /nfs/dbraw/zinc/67/92/77/663679277.db2.gz CRXWMANBKOSWHA-WDEREUQCSA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325805 663679278 /nfs/dbraw/zinc/67/92/78/663679278.db2.gz CRXWMANBKOSWHA-WDEREUQCSA-N 1 1 300.359 -2.381 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443519 663683159 /nfs/dbraw/zinc/68/31/59/663683159.db2.gz DQYSHGYHVSYBHX-PWSUYJOCSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443519 663683160 /nfs/dbraw/zinc/68/31/60/663683160.db2.gz DQYSHGYHVSYBHX-PWSUYJOCSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443518 663683295 /nfs/dbraw/zinc/68/32/95/663683295.db2.gz DQYSHGYHVSYBHX-JQWIXIFHSA-N 1 1 320.353 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001035443518 663683297 /nfs/dbraw/zinc/68/32/97/663683297.db2.gz DQYSHGYHVSYBHX-JQWIXIFHSA-N 1 1 320.353 -1.064 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCO)CCO2)C1 ZINC001035480727 663684331 /nfs/dbraw/zinc/68/43/31/663684331.db2.gz AWPABXWEFYIOLT-KBPBESRZSA-N 1 1 315.414 -1.095 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)[nH]1 ZINC001035506824 663685112 /nfs/dbraw/zinc/68/51/12/663685112.db2.gz YBYQIZWFUVIXQX-JTQLQIEISA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)[nH]1 ZINC001035506824 663685115 /nfs/dbraw/zinc/68/51/15/663685115.db2.gz YBYQIZWFUVIXQX-JTQLQIEISA-N 1 1 310.354 -1.073 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035515950 663685242 /nfs/dbraw/zinc/68/52/42/663685242.db2.gz LZEUGOWAOHRBAW-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035515950 663685243 /nfs/dbraw/zinc/68/52/43/663685243.db2.gz LZEUGOWAOHRBAW-RWMBFGLXSA-N 1 1 313.398 -1.090 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001035539379 663686154 /nfs/dbraw/zinc/68/61/54/663686154.db2.gz IOTBKSUALOUDMS-XIRUVYRFSA-N 1 1 310.354 -1.189 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001035539379 663686156 /nfs/dbraw/zinc/68/61/56/663686156.db2.gz IOTBKSUALOUDMS-XIRUVYRFSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035546700 663686231 /nfs/dbraw/zinc/68/62/31/663686231.db2.gz GZZBGGOJBKPCKK-NSHDSACASA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCO1)C1CC(=O)NC(=O)C1 ZINC001035546700 663686233 /nfs/dbraw/zinc/68/62/33/663686233.db2.gz GZZBGGOJBKPCKK-NSHDSACASA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CC2CC2)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535724 663686461 /nfs/dbraw/zinc/68/64/61/663686461.db2.gz RHRYOQPLOFHGHD-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535326 663686507 /nfs/dbraw/zinc/68/65/07/663686507.db2.gz OSHKKJCWBCVLAT-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCF)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535326 663686510 /nfs/dbraw/zinc/68/65/10/663686510.db2.gz OSHKKJCWBCVLAT-UWVGGRQHSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCF)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535329 663686584 /nfs/dbraw/zinc/68/65/84/663686584.db2.gz OSHKKJCWBCVLAT-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCF)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535329 663686585 /nfs/dbraw/zinc/68/65/85/663686585.db2.gz OSHKKJCWBCVLAT-ZJUUUORDSA-N 1 1 316.333 -1.239 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560425 663687491 /nfs/dbraw/zinc/68/74/91/663687491.db2.gz UDWHPJYXBAEHEC-ONGXEEELSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001035560425 663687492 /nfs/dbraw/zinc/68/74/92/663687492.db2.gz UDWHPJYXBAEHEC-ONGXEEELSA-N 1 1 310.354 -1.075 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035612191 663689193 /nfs/dbraw/zinc/68/91/93/663689193.db2.gz ADRXSDWCJVVFDN-WDEREUQCSA-N 1 1 305.400 -1.097 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001035612191 663689194 /nfs/dbraw/zinc/68/91/94/663689194.db2.gz ADRXSDWCJVVFDN-WDEREUQCSA-N 1 1 305.400 -1.097 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035608213 663688510 /nfs/dbraw/zinc/68/85/10/663688510.db2.gz ZAKODIMQOMIYQX-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035608213 663688511 /nfs/dbraw/zinc/68/85/11/663688511.db2.gz ZAKODIMQOMIYQX-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611361 663688543 /nfs/dbraw/zinc/68/85/43/663688543.db2.gz SLWBHYBLLZWHFU-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035611361 663688544 /nfs/dbraw/zinc/68/85/44/663688544.db2.gz SLWBHYBLLZWHFU-NEPJUHHUSA-N 1 1 314.386 -1.991 20 0 DAADMO CCCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611382 663688565 /nfs/dbraw/zinc/68/85/65/663688565.db2.gz BQYQRDKSQXHXPW-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CCCC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611382 663688567 /nfs/dbraw/zinc/68/85/67/663688567.db2.gz BQYQRDKSQXHXPW-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035608212 663688658 /nfs/dbraw/zinc/68/86/58/663688658.db2.gz ZAKODIMQOMIYQX-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(CCO)CCO2)C1 ZINC001035608212 663688661 /nfs/dbraw/zinc/68/86/61/663688661.db2.gz ZAKODIMQOMIYQX-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611456 663689170 /nfs/dbraw/zinc/68/91/70/663689170.db2.gz GUHVJRZMCWAJCD-SNVBAGLBSA-N 1 1 310.358 -1.398 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001035611456 663689174 /nfs/dbraw/zinc/68/91/74/663689174.db2.gz GUHVJRZMCWAJCD-SNVBAGLBSA-N 1 1 310.358 -1.398 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@H+](CC3CC3)CCO2)nn1 ZINC001035611648 663689361 /nfs/dbraw/zinc/68/93/61/663689361.db2.gz IEJCPUNNKZMJDS-NSHDSACASA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)nn1 ZINC001035611648 663689363 /nfs/dbraw/zinc/68/93/63/663689363.db2.gz IEJCPUNNKZMJDS-NSHDSACASA-N 1 1 322.369 -1.396 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645459 663689523 /nfs/dbraw/zinc/68/95/23/663689523.db2.gz BKJZCEAFVGRBRJ-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCF)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615458 663689541 /nfs/dbraw/zinc/68/95/41/663689541.db2.gz ZKAZOBSZQZDBPH-WDEREUQCSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCF)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615458 663689544 /nfs/dbraw/zinc/68/95/44/663689544.db2.gz ZKAZOBSZQZDBPH-WDEREUQCSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CC2CC2)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615366 663689577 /nfs/dbraw/zinc/68/95/77/663689577.db2.gz YYPWDXRYRODOJO-VXGBXAGGSA-N 1 1 317.411 -1.095 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC(=O)N1)CC2 ZINC001035670282 663689596 /nfs/dbraw/zinc/68/95/96/663689596.db2.gz HXJDKWVQAAOYFG-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CC2CC2)CCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001035615365 663689630 /nfs/dbraw/zinc/68/96/30/663689630.db2.gz YYPWDXRYRODOJO-RYUDHWBXSA-N 1 1 317.411 -1.095 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC001035695754 663689651 /nfs/dbraw/zinc/68/96/51/663689651.db2.gz YJSMSVRAUWXSNP-SNVBAGLBSA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)CN1CN=NC1=O)CC2 ZINC001035690430 663689790 /nfs/dbraw/zinc/68/97/90/663689790.db2.gz QQPGRXIICOVZOL-JTQLQIEISA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC001035764730 663690014 /nfs/dbraw/zinc/69/00/14/663690014.db2.gz KRAIANAFPBFNRK-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035709018 663690115 /nfs/dbraw/zinc/69/01/15/663690115.db2.gz LYMTWYZQLRVSQX-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1nccn1)CC2 ZINC001035713549 663690177 /nfs/dbraw/zinc/69/01/77/663690177.db2.gz DHEDJBNISRDMMU-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035764547 663690220 /nfs/dbraw/zinc/69/02/20/663690220.db2.gz IDEVOODOIZPALU-VXGBXAGGSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C(Cn1ncnn1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035707149 663690233 /nfs/dbraw/zinc/69/02/33/663690233.db2.gz VVHCLZMIOOPRNM-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC001035768289 663690392 /nfs/dbraw/zinc/69/03/92/663690392.db2.gz HJTZPDSUFMNXPU-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035782765 663690643 /nfs/dbraw/zinc/69/06/43/663690643.db2.gz SBTJLJXHUAVVNK-WDEREUQCSA-N 1 1 321.381 -1.519 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001035796978 663690778 /nfs/dbraw/zinc/69/07/78/663690778.db2.gz WLANHZZJBBRYBM-MNOVXSKESA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001035839928 663690816 /nfs/dbraw/zinc/69/08/16/663690816.db2.gz HXJDKWVQAAOYFG-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(N)=O)CC2 ZINC001035795920 663690836 /nfs/dbraw/zinc/69/08/36/663690836.db2.gz IUZTUJAWZHANMH-AXFHLTTASA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001035913948 663691306 /nfs/dbraw/zinc/69/13/06/663691306.db2.gz VQAAKUCBJDDQQR-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036226564 663692213 /nfs/dbraw/zinc/69/22/13/663692213.db2.gz XPBUKRAZHQGGCB-VHSXEESVSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036252388 663692218 /nfs/dbraw/zinc/69/22/18/663692218.db2.gz YBWYAQYBPYDYLC-NXEZZACHSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036284834 663692343 /nfs/dbraw/zinc/69/23/43/663692343.db2.gz HHNYRHNGONOJAH-QWRGUYRKSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036252389 663692461 /nfs/dbraw/zinc/69/24/61/663692461.db2.gz YBWYAQYBPYDYLC-UWVGGRQHSA-N 1 1 319.373 -1.103 20 0 DAADMO CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)N2CCNC(=O)C2)C1 ZINC001036610857 663692511 /nfs/dbraw/zinc/69/25/11/663692511.db2.gz VLXZDIPFWTXERB-QWHCGFSZSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001036641274 663693032 /nfs/dbraw/zinc/69/30/32/663693032.db2.gz XYMCFQUSPMBBKN-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001005808877 663693095 /nfs/dbraw/zinc/69/30/95/663693095.db2.gz CRFXJWCRNCKUMY-ONGXEEELSA-N 1 1 321.385 -1.119 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001036641273 663693200 /nfs/dbraw/zinc/69/32/00/663693200.db2.gz XYMCFQUSPMBBKN-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]21 ZINC001036641272 663693271 /nfs/dbraw/zinc/69/32/71/663693271.db2.gz XYMCFQUSPMBBKN-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005824629 663693671 /nfs/dbraw/zinc/69/36/71/663693671.db2.gz BVEMFQNDZGSVON-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671727 663693760 /nfs/dbraw/zinc/69/37/60/663693760.db2.gz OOFLNUVCYBTKKD-NXEZZACHSA-N 1 1 307.358 -1.492 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671727 663693761 /nfs/dbraw/zinc/69/37/61/663693761.db2.gz OOFLNUVCYBTKKD-NXEZZACHSA-N 1 1 307.358 -1.492 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001005848922 663693975 /nfs/dbraw/zinc/69/39/75/663693975.db2.gz QQJLBTXSXXCTST-UHFFFAOYSA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005847799 663693980 /nfs/dbraw/zinc/69/39/80/663693980.db2.gz LSHVFAHFVLHMQN-SNVBAGLBSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855168 663694129 /nfs/dbraw/zinc/69/41/29/663694129.db2.gz RMDYUEVUABCOOW-KOLCDFICSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855168 663694130 /nfs/dbraw/zinc/69/41/30/663694130.db2.gz RMDYUEVUABCOOW-KOLCDFICSA-N 1 1 322.369 -1.288 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001005839820 663694299 /nfs/dbraw/zinc/69/42/99/663694299.db2.gz GJDVTPVNIQCQOB-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858670 663694335 /nfs/dbraw/zinc/69/43/35/663694335.db2.gz YCGPMBOUTNKOOL-JOYOIKCWSA-N 1 1 323.353 -1.023 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnon2)C1 ZINC001005858670 663694336 /nfs/dbraw/zinc/69/43/36/663694336.db2.gz YCGPMBOUTNKOOL-JOYOIKCWSA-N 1 1 323.353 -1.023 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)CC[C@H]21 ZINC001036685195 663694545 /nfs/dbraw/zinc/69/45/45/663694545.db2.gz TYHIXWHGGGLXRH-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005911526 663694555 /nfs/dbraw/zinc/69/45/55/663694555.db2.gz GTPYMPTUUXYPAX-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005911523 663694617 /nfs/dbraw/zinc/69/46/17/663694617.db2.gz GTPYMPTUUXYPAX-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)C(N)=O)C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001005914155 663694828 /nfs/dbraw/zinc/69/48/28/663694828.db2.gz MPWRBUDHWMXHTR-JTQLQIEISA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC001005914186 663695142 /nfs/dbraw/zinc/69/51/42/663695142.db2.gz NNNGQFRFESVRGD-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO O=C1OCCN1CCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434240 663696870 /nfs/dbraw/zinc/69/68/70/663696870.db2.gz UQHLATAFABWMEV-UHFFFAOYSA-N 1 1 318.399 -1.642 20 0 DAADMO CN1CC[C@@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923436664 663696887 /nfs/dbraw/zinc/69/68/87/663696887.db2.gz JLOMGEPENJANOX-LLVKDONJSA-N 1 1 302.400 -1.864 20 0 DAADMO CCOCC[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436458 663696891 /nfs/dbraw/zinc/69/68/91/663696891.db2.gz GLWCMQDCLIHAOU-GFCCVEGCSA-N 1 1 321.443 -1.307 20 0 DAADMO CCN1CC[C@@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437648 663696942 /nfs/dbraw/zinc/69/69/42/663696942.db2.gz VSVSDJDUXSWFAD-GFCCVEGCSA-N 1 1 316.427 -1.474 20 0 DAADMO CCOC[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436391 663696949 /nfs/dbraw/zinc/69/69/49/663696949.db2.gz FDYICGKLOMYOHY-NSHDSACASA-N 1 1 307.416 -1.697 20 0 DAADMO C[C@H](C(=O)N(C)C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437756 663696980 /nfs/dbraw/zinc/69/69/80/663696980.db2.gz YEUWXRLXEYPGTR-SNVBAGLBSA-N 1 1 304.416 -1.618 20 0 DAADMO CCN1CC[C@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437651 663696996 /nfs/dbraw/zinc/69/69/96/663696996.db2.gz VSVSDJDUXSWFAD-LBPRGKRZSA-N 1 1 316.427 -1.474 20 0 DAADMO CCN(CC)C(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433896 663697032 /nfs/dbraw/zinc/69/70/32/663697032.db2.gz MGEKOVNJLLKCLY-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO O=C(CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)NC1CC1 ZINC000923433799 663697038 /nfs/dbraw/zinc/69/70/38/663697038.db2.gz YCSKLNRQXQDBMD-UHFFFAOYSA-N 1 1 302.400 -1.816 20 0 DAADMO O=S(=O)(C1CN(Cc2cnns2)C1)N1CC[NH2+]CC1 ZINC000923436469 663697041 /nfs/dbraw/zinc/69/70/41/663697041.db2.gz GTNMIAUKCUOLDT-UHFFFAOYSA-N 1 1 303.413 -1.043 20 0 DAADMO Cc1nc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)no1 ZINC000923433619 663697094 /nfs/dbraw/zinc/69/70/94/663697094.db2.gz JGGNILMXYMHDIA-UHFFFAOYSA-N 1 1 301.372 -1.203 20 0 DAADMO CC(C)CNC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433977 663697191 /nfs/dbraw/zinc/69/71/91/663697191.db2.gz ZZTPJJVUEMJFQA-UHFFFAOYSA-N 1 1 318.443 -1.322 20 0 DAADMO CON1CC[C@H](N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000923437078 663697571 /nfs/dbraw/zinc/69/75/71/663697571.db2.gz NLTRPDHGVGIBCI-NSHDSACASA-N 1 1 318.399 -1.932 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001006116016 663697589 /nfs/dbraw/zinc/69/75/89/663697589.db2.gz FZRVPVPMNXQXKX-VHSXEESVSA-N 1 1 321.385 -1.262 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946926249 663698688 /nfs/dbraw/zinc/69/86/88/663698688.db2.gz ZOKQVPMOIOPJBB-JTQLQIEISA-N 1 1 322.369 -1.442 20 0 DAADMO O=C([C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1)N1CCNCC1 ZINC000923567861 663698828 /nfs/dbraw/zinc/69/88/28/663698828.db2.gz WHUWXJMXSUSZTQ-LLVKDONJSA-N 1 1 316.427 -1.568 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN(S(N)(=O)=O)CC2)CC1 ZINC000743461486 663796465 /nfs/dbraw/zinc/79/64/65/663796465.db2.gz WACZUIUACKAVEW-UHFFFAOYSA-N 1 1 305.404 -2.419 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCC[S@@](C)=O)CC1 ZINC000745488326 663798299 /nfs/dbraw/zinc/79/82/99/663798299.db2.gz GOSAKFLFHXHCOS-HXUWFJFHSA-N 1 1 304.416 -1.172 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)OCCC[NH+]2CCOCC2)C1=O ZINC000750888012 663801847 /nfs/dbraw/zinc/80/18/47/663801847.db2.gz CJAYCRUJKTVKCH-UHFFFAOYSA-N 1 1 313.310 -1.328 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC000751372251 663802598 /nfs/dbraw/zinc/80/25/98/663802598.db2.gz SWFSJBIPDMXDQC-UHFFFAOYSA-N 1 1 301.343 -1.414 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)CCO1 ZINC000751479515 663802962 /nfs/dbraw/zinc/80/29/62/663802962.db2.gz GFXRFIFSIXGCQI-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)CCO1 ZINC000751479515 663802965 /nfs/dbraw/zinc/80/29/65/663802965.db2.gz GFXRFIFSIXGCQI-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000751746328 663803298 /nfs/dbraw/zinc/80/32/98/663803298.db2.gz SBEBHWRLXROFCD-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+](CCO)CCN2CCOCC2)CCO1 ZINC000754835927 663804952 /nfs/dbraw/zinc/80/49/52/663804952.db2.gz SNEOXZACABEGIH-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+](CCO)CCN2CCOCC2)CCO1 ZINC000754835927 663804953 /nfs/dbraw/zinc/80/49/53/663804953.db2.gz SNEOXZACABEGIH-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC[S@](C)=O)CC2)C1 ZINC000754301755 663804971 /nfs/dbraw/zinc/80/49/71/663804971.db2.gz QGJMTVRKBNKHJG-ODXCJYRJSA-N 1 1 303.428 -1.160 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC[S@](C)=O)CC2)C1 ZINC000754301755 663804972 /nfs/dbraw/zinc/80/49/72/663804972.db2.gz QGJMTVRKBNKHJG-ODXCJYRJSA-N 1 1 303.428 -1.160 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC[S@](C)=O)CC2)C1 ZINC000754301757 663805110 /nfs/dbraw/zinc/80/51/10/663805110.db2.gz QGJMTVRKBNKHJG-YUNKPMOVSA-N 1 1 303.428 -1.160 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC[S@](C)=O)CC2)C1 ZINC000754301757 663805111 /nfs/dbraw/zinc/80/51/11/663805111.db2.gz QGJMTVRKBNKHJG-YUNKPMOVSA-N 1 1 303.428 -1.160 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000761076850 663809894 /nfs/dbraw/zinc/80/98/94/663809894.db2.gz OYUNEWXXMOXXLO-NXEZZACHSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761076850 663809896 /nfs/dbraw/zinc/80/98/96/663809896.db2.gz OYUNEWXXMOXXLO-NXEZZACHSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761076856 663810180 /nfs/dbraw/zinc/81/01/80/663810180.db2.gz OYUNEWXXMOXXLO-VHSXEESVSA-N 1 1 323.397 -1.127 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761076856 663810181 /nfs/dbraw/zinc/81/01/81/663810181.db2.gz OYUNEWXXMOXXLO-VHSXEESVSA-N 1 1 323.397 -1.127 20 0 DAADMO COC(=O)c1cn([C@@H]2CCC[N@H+](CCS(N)(=O)=O)C2)nn1 ZINC000762622587 663810500 /nfs/dbraw/zinc/81/05/00/663810500.db2.gz IMNAIIZZCWBURF-SECBINFHSA-N 1 1 317.371 -1.010 20 0 DAADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCS(N)(=O)=O)C2)nn1 ZINC000762622587 663810503 /nfs/dbraw/zinc/81/05/03/663810503.db2.gz IMNAIIZZCWBURF-SECBINFHSA-N 1 1 317.371 -1.010 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@@H+]1C ZINC000761745990 663810870 /nfs/dbraw/zinc/81/08/70/663810870.db2.gz ILPVKOAAUKYJRF-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000761745990 663810872 /nfs/dbraw/zinc/81/08/72/663810872.db2.gz ILPVKOAAUKYJRF-JTQLQIEISA-N 1 1 315.399 -1.139 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000763056636 663811281 /nfs/dbraw/zinc/81/12/81/663811281.db2.gz YVPWTZGLYHFRMB-LLVKDONJSA-N 1 1 308.404 -1.709 20 0 DAADMO CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764362718 663812052 /nfs/dbraw/zinc/81/20/52/663812052.db2.gz NMLYDNXMCWWBOZ-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NCC[N@@H+](CC)CCO ZINC000769507320 663815867 /nfs/dbraw/zinc/81/58/67/663815867.db2.gz OABLZZBIOSJVKR-UHFFFAOYSA-N 1 1 310.420 -1.461 20 0 DAADMO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(=O)n(C)c1=O ZINC000771034516 663817369 /nfs/dbraw/zinc/81/73/69/663817369.db2.gz QSMNVBKQPARFHA-LLVKDONJSA-N 1 1 322.365 -1.369 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](O)C1 ZINC000774180815 663820245 /nfs/dbraw/zinc/82/02/45/663820245.db2.gz QTEMZBQCZPDFTA-YNEHKIRRSA-N 1 1 311.382 -1.051 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000774440661 663820890 /nfs/dbraw/zinc/82/08/90/663820890.db2.gz WJQRQCTWMVQJLM-UHFFFAOYSA-N 1 1 307.416 -1.053 20 0 DAADMO CC[S@@](=O)CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000774470781 663821042 /nfs/dbraw/zinc/82/10/42/663821042.db2.gz OBVXSUHUQXBQRY-OAQYLSRUSA-N 1 1 319.427 -1.290 20 0 DAADMO O=C(NCCn1ccnc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775098979 663821563 /nfs/dbraw/zinc/82/15/63/663821563.db2.gz IUVQCCLNILJXAU-QWHCGFSZSA-N 1 1 321.381 -1.021 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000805620854 663824077 /nfs/dbraw/zinc/82/40/77/663824077.db2.gz HDZBOOLLGCPCNK-FLCAKIMKSA-N 1 1 319.427 -1.294 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000805620854 663824079 /nfs/dbraw/zinc/82/40/79/663824079.db2.gz HDZBOOLLGCPCNK-FLCAKIMKSA-N 1 1 319.427 -1.294 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000805620858 663824250 /nfs/dbraw/zinc/82/42/50/663824250.db2.gz HDZBOOLLGCPCNK-NNOLRYQLSA-N 1 1 319.427 -1.294 20 0 DAADMO CC[S@](=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000805620858 663824252 /nfs/dbraw/zinc/82/42/52/663824252.db2.gz HDZBOOLLGCPCNK-NNOLRYQLSA-N 1 1 319.427 -1.294 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C)S(N)(=O)=O ZINC000781971614 663825969 /nfs/dbraw/zinc/82/59/69/663825969.db2.gz WQAIDTJFDLVRAY-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782609863 663826294 /nfs/dbraw/zinc/82/62/94/663826294.db2.gz RZQKVIZNZZQFLK-XJKSGUPXSA-N 1 1 324.425 -1.467 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000782586569 663826639 /nfs/dbraw/zinc/82/66/39/663826639.db2.gz OJCXDUBFYSWSGP-MNOVXSKESA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)S(C)(=O)=O ZINC000782626391 663827030 /nfs/dbraw/zinc/82/70/30/663827030.db2.gz XJWFLSUGLURTPU-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1)S(C)(=O)=O ZINC000782626391 663827031 /nfs/dbraw/zinc/82/70/31/663827031.db2.gz XJWFLSUGLURTPU-YPMHNXCESA-N 1 1 319.427 -1.302 20 0 DAADMO Cn1c(=O)cc(C[NH2+]C2(CO)COC(C)(C)OC2)n(C)c1=O ZINC000788001027 663830836 /nfs/dbraw/zinc/83/08/36/663830836.db2.gz XVQAEQASTSRWAO-UHFFFAOYSA-N 1 1 313.354 -1.312 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000788384127 663831427 /nfs/dbraw/zinc/83/14/27/663831427.db2.gz HERYKTGFSURKHO-LLVKDONJSA-N 1 1 317.411 -1.156 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000788383758 663831469 /nfs/dbraw/zinc/83/14/69/663831469.db2.gz DQEDCQACKARTIF-NSHDSACASA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000788383758 663831471 /nfs/dbraw/zinc/83/14/71/663831471.db2.gz DQEDCQACKARTIF-NSHDSACASA-N 1 1 317.411 -1.252 20 0 DAADMO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788384460 663831483 /nfs/dbraw/zinc/83/14/83/663831483.db2.gz KLJUJKMGNRITPP-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCS(C)(=O)=O ZINC000788384460 663831484 /nfs/dbraw/zinc/83/14/84/663831484.db2.gz KLJUJKMGNRITPP-JTQLQIEISA-N 1 1 305.400 -1.252 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000793876520 663835496 /nfs/dbraw/zinc/83/54/96/663835496.db2.gz XIQAVYXQVQTQGQ-WDEREUQCSA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000793876516 663835536 /nfs/dbraw/zinc/83/55/36/663835536.db2.gz XIQAVYXQVQTQGQ-MNOVXSKESA-N 1 1 324.381 -1.389 20 0 DAADMO CCS(=O)(=O)CCNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000793938798 663836227 /nfs/dbraw/zinc/83/62/27/663836227.db2.gz UCIPHXUEXZWZIN-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO CCS(=O)(=O)CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000793938798 663836228 /nfs/dbraw/zinc/83/62/28/663836228.db2.gz UCIPHXUEXZWZIN-UHFFFAOYSA-N 1 1 305.400 -1.252 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000795086714 663837842 /nfs/dbraw/zinc/83/78/42/663837842.db2.gz QZGXKZILIWVVOC-ZJUUUORDSA-N 1 1 301.372 -1.043 20 0 DAADMO Cn1nncc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000795086714 663837843 /nfs/dbraw/zinc/83/78/43/663837843.db2.gz QZGXKZILIWVVOC-ZJUUUORDSA-N 1 1 301.372 -1.043 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]21 ZINC001036718745 663841155 /nfs/dbraw/zinc/84/11/55/663841155.db2.gz ROSWJGWXNJAQBL-RYUDHWBXSA-N 1 1 321.385 -1.316 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)CC1=O ZINC001036752065 663841245 /nfs/dbraw/zinc/84/12/45/663841245.db2.gz QVNVUKFYEBIYSB-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCO)C2)c1=O ZINC001036752655 663841392 /nfs/dbraw/zinc/84/13/92/663841392.db2.gz COPOFYBZFYNUCC-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)CC1=O ZINC001036752064 663841508 /nfs/dbraw/zinc/84/15/08/663841508.db2.gz QVNVUKFYEBIYSB-KGLIPLIRSA-N 1 1 324.425 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036718744 663841626 /nfs/dbraw/zinc/84/16/26/663841626.db2.gz ROSWJGWXNJAQBL-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036792431 663841905 /nfs/dbraw/zinc/84/19/05/663841905.db2.gz PBMGMQGLRNLHCC-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCN2C(=O)CCC2=O)C1 ZINC001036807523 663841965 /nfs/dbraw/zinc/84/19/65/663841965.db2.gz DNXBKDSIDPNMBO-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001036794546 663841984 /nfs/dbraw/zinc/84/19/84/663841984.db2.gz XBQPVSDTOYCPTJ-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3(C(N)=O)CC3)CC[C@@H]21 ZINC001036806897 663842019 /nfs/dbraw/zinc/84/20/19/663842019.db2.gz VHOAPEWHOZVNSZ-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)nc1=O ZINC001036806686 663842049 /nfs/dbraw/zinc/84/20/49/663842049.db2.gz SGCLJHKBBGPVEB-RKDXNWHRSA-N 1 1 308.342 -1.984 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)CC[C@H]32)nc1=O ZINC001036806686 663842051 /nfs/dbraw/zinc/84/20/51/663842051.db2.gz SGCLJHKBBGPVEB-RKDXNWHRSA-N 1 1 308.342 -1.984 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001036793322 663842127 /nfs/dbraw/zinc/84/21/27/663842127.db2.gz CIXVBDHXXROVMW-WDEREUQCSA-N 1 1 321.385 -1.165 20 0 DAADMO COCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036791941 663842134 /nfs/dbraw/zinc/84/21/34/663842134.db2.gz HQKKGRGRRGSRIB-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036792194 663842140 /nfs/dbraw/zinc/84/21/40/663842140.db2.gz LOGVFBHMGTYWMX-VXGBXAGGSA-N 1 1 323.397 -2.174 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036764225 663842147 /nfs/dbraw/zinc/84/21/47/663842147.db2.gz NGUSIMKIEBIAIB-RYUDHWBXSA-N 1 1 322.365 -1.136 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)c1=O ZINC001036753428 663842185 /nfs/dbraw/zinc/84/21/85/663842185.db2.gz QFYCSVRHVVJKPZ-NWDGAFQWSA-N 1 1 309.370 -1.503 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)c1=O ZINC001036753291 663842264 /nfs/dbraw/zinc/84/22/64/663842264.db2.gz OBWKQVMPSLKCFG-GHMZBOCLSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCO)C2)c1=O ZINC001036752658 663842273 /nfs/dbraw/zinc/84/22/73/663842273.db2.gz COPOFYBZFYNUCC-STQMWFEESA-N 1 1 323.397 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@H]21 ZINC001036791942 663842308 /nfs/dbraw/zinc/84/23/08/663842308.db2.gz HQKKGRGRRGSRIB-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001036793319 663842317 /nfs/dbraw/zinc/84/23/17/663842317.db2.gz CIXVBDHXXROVMW-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036792434 663842328 /nfs/dbraw/zinc/84/23/28/663842328.db2.gz PBMGMQGLRNLHCC-ZIAGYGMSSA-N 1 1 324.425 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]21 ZINC001036852585 663842535 /nfs/dbraw/zinc/84/25/35/663842535.db2.gz GHXISJQGNYAVHZ-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)C1=O ZINC001036868877 663842624 /nfs/dbraw/zinc/84/26/24/663842624.db2.gz UYRZHMSCULQTDY-RYUDHWBXSA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 ZINC001036842578 663842637 /nfs/dbraw/zinc/84/26/37/663842637.db2.gz RSYROPYFFRFMPR-ONGXEEELSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036843145 663842737 /nfs/dbraw/zinc/84/27/37/663842737.db2.gz ANJDYIAOFISNTP-QWRGUYRKSA-N 1 1 310.354 -1.547 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036844468 663842764 /nfs/dbraw/zinc/84/27/64/663842764.db2.gz WIKHWJVJJAAUMF-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)CC[C@H]21 ZINC001036843767 663842930 /nfs/dbraw/zinc/84/29/30/663842930.db2.gz LJZQNIDJXGYXIT-NXEZZACHSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@H]21 ZINC001036853039 663842940 /nfs/dbraw/zinc/84/29/40/663842940.db2.gz NFOAPOSKLWUZQR-GHMZBOCLSA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]21 ZINC001036853040 663842946 /nfs/dbraw/zinc/84/29/46/663842946.db2.gz NFOAPOSKLWUZQR-MNOVXSKESA-N 1 1 307.358 -1.529 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@@H]21 ZINC001036802994 663842960 /nfs/dbraw/zinc/84/29/60/663842960.db2.gz MOCCOMCXQQJVSE-ONGXEEELSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036806210 663843056 /nfs/dbraw/zinc/84/30/56/663843056.db2.gz LLWQECBXFDHGNA-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)c(=O)n1C ZINC001036882910 663843579 /nfs/dbraw/zinc/84/35/79/663843579.db2.gz UDGDJUYRDKUJKS-STQMWFEESA-N 1 1 323.397 -1.195 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)CC[C@@H]21 ZINC001036890216 663843670 /nfs/dbraw/zinc/84/36/70/663843670.db2.gz OXVYJJSYKUEIOE-MNOVXSKESA-N 1 1 322.365 -1.457 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)c(=O)n1C ZINC001036882908 663843708 /nfs/dbraw/zinc/84/37/08/663843708.db2.gz UDGDJUYRDKUJKS-OLZOCXBDSA-N 1 1 323.397 -1.195 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[S@@](C)=O)C[NH+]1CCOCC1 ZINC000804023418 663844198 /nfs/dbraw/zinc/84/41/98/663844198.db2.gz JNSHJNZJHMTYTM-WSVYEEACSA-N 1 1 319.427 -1.434 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036888242 663844292 /nfs/dbraw/zinc/84/42/92/663844292.db2.gz FVQKASQLAUJWQZ-VXGBXAGGSA-N 1 1 324.381 -1.157 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)n(C)c1=O ZINC001036905445 663844296 /nfs/dbraw/zinc/84/42/96/663844296.db2.gz KEKHHUVJGGQMEC-QWRGUYRKSA-N 1 1 321.381 -1.255 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H]1CO ZINC000804052862 663844440 /nfs/dbraw/zinc/84/44/40/663844440.db2.gz GUOUKDPBNLHKOQ-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NCCC1(C)OCCO1 ZINC000804083780 663844756 /nfs/dbraw/zinc/84/47/56/663844756.db2.gz GKLYEZAYGJRJQD-UHFFFAOYSA-N 1 1 317.386 -1.050 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061933 663844767 /nfs/dbraw/zinc/84/47/67/663844767.db2.gz XWNWKGKGPDCHJC-IJLUTSLNSA-N 1 1 324.381 -1.687 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057560 663844990 /nfs/dbraw/zinc/84/49/90/663844990.db2.gz ATWLROANLCEJLF-GHMZBOCLSA-N 1 1 323.353 -1.026 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1)C(=O)N(C)C ZINC000812837738 663849957 /nfs/dbraw/zinc/84/99/57/663849957.db2.gz INWWHHMMXDHFLO-JTQLQIEISA-N 1 1 317.386 -1.317 20 0 DAADMO COC(=O)CCNC(=O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812837683 663850042 /nfs/dbraw/zinc/85/00/42/663850042.db2.gz HKURDVNWTZRDBZ-UHFFFAOYSA-N 1 1 304.343 -1.231 20 0 DAADMO CNS(=O)(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000812840879 663850334 /nfs/dbraw/zinc/85/03/34/663850334.db2.gz LFOBKMYWCSVYEM-SECBINFHSA-N 1 1 304.372 -1.690 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)CC[NH+]2CCOCC2)c1=O ZINC000819945676 663856649 /nfs/dbraw/zinc/85/66/49/663856649.db2.gz WUSVIBMGOQLVNN-UHFFFAOYSA-N 1 1 324.381 -1.224 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C1=NN(CCO)C(=O)CC1 ZINC000819687989 663856738 /nfs/dbraw/zinc/85/67/38/663856738.db2.gz CUFFWBIQUURUME-GFCCVEGCSA-N 1 1 323.397 -1.537 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000820263653 663857526 /nfs/dbraw/zinc/85/75/26/663857526.db2.gz GRHZYUHDALUZJY-OUAUKWLOSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000820341543 663858205 /nfs/dbraw/zinc/85/82/05/663858205.db2.gz FMCWPHQBOBKLMC-SMDDNHRTSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000820688499 663858674 /nfs/dbraw/zinc/85/86/74/663858674.db2.gz SSQOMBLQKBXCMI-OUAUKWLOSA-N 1 1 309.374 -1.271 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000820688498 663858821 /nfs/dbraw/zinc/85/88/21/663858821.db2.gz SSQOMBLQKBXCMI-AXFHLTTASA-N 1 1 309.374 -1.271 20 0 DAADMO COC1(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CS(=O)(=O)C1 ZINC000820989869 663859323 /nfs/dbraw/zinc/85/93/23/663859323.db2.gz CUHGJTCIPZAUEE-LLVKDONJSA-N 1 1 320.411 -1.237 20 0 DAADMO COC1(C(=O)NC[C@H]2CCC[N@H+]2CCCO)CS(=O)(=O)C1 ZINC000820989869 663859327 /nfs/dbraw/zinc/85/93/27/663859327.db2.gz CUHGJTCIPZAUEE-LLVKDONJSA-N 1 1 320.411 -1.237 20 0 DAADMO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822151384 663860533 /nfs/dbraw/zinc/86/05/33/663860533.db2.gz LYZRQIFJGLHSAE-QWRGUYRKSA-N 1 1 317.411 -1.159 20 0 DAADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000822151384 663860535 /nfs/dbraw/zinc/86/05/35/663860535.db2.gz LYZRQIFJGLHSAE-QWRGUYRKSA-N 1 1 317.411 -1.159 20 0 DAADMO O=C(CN1CCCC1)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC000821888736 663861002 /nfs/dbraw/zinc/86/10/02/663861002.db2.gz UIDIQBWMDBPJCR-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C(OC)OC)CC1=O ZINC000822974071 663861689 /nfs/dbraw/zinc/86/16/89/663861689.db2.gz WRDZCKREUYNYSU-LLVKDONJSA-N 1 1 317.386 -1.099 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+](C)C1 ZINC000822629916 663861874 /nfs/dbraw/zinc/86/18/74/663861874.db2.gz BLBNZZQRQXHHPB-ZJUUUORDSA-N 1 1 311.338 -1.398 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000824740534 663863198 /nfs/dbraw/zinc/86/31/98/663863198.db2.gz HBQWGRXJKNLPSD-XVIXHAIJSA-N 1 1 312.366 -1.621 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000824740067 663863231 /nfs/dbraw/zinc/86/32/31/663863231.db2.gz BNQFUJDPHUFJLV-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000824740531 663863367 /nfs/dbraw/zinc/86/33/67/663863367.db2.gz HBQWGRXJKNLPSD-DHGKCCLASA-N 1 1 312.366 -1.621 20 0 DAADMO CCN(C(=O)[C@@H](C)NC(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](C)C1 ZINC000824834856 663863447 /nfs/dbraw/zinc/86/34/47/663863447.db2.gz GQBNCDFOWKMZDZ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@]1(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCS(=O)(=O)N1 ZINC000824297860 663863547 /nfs/dbraw/zinc/86/35/47/663863547.db2.gz IULZTFXPCQQKNW-LOWVWBTDSA-N 1 1 317.411 -1.264 20 0 DAADMO CCN(C(=O)[C@H](C)NC(=O)Cn1cnnn1)[C@H]1CC[N@@H+](C)C1 ZINC000824834858 663863613 /nfs/dbraw/zinc/86/36/13/663863613.db2.gz GQBNCDFOWKMZDZ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@H+](C)C1 ZINC000824840520 663863670 /nfs/dbraw/zinc/86/36/70/663863670.db2.gz ASXYYPNGHSGLFQ-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CC[N@@H+](C)C1 ZINC000824840520 663863673 /nfs/dbraw/zinc/86/36/73/663863673.db2.gz ASXYYPNGHSGLFQ-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@H+](CC)C1 ZINC000825019201 663863878 /nfs/dbraw/zinc/86/38/78/663863878.db2.gz XUUQUTFMTBDTPG-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CC[N@@H+](CC)C1 ZINC000825019201 663863883 /nfs/dbraw/zinc/86/38/83/663863883.db2.gz XUUQUTFMTBDTPG-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@H+](C)C[C@H]2CO)c1=O ZINC000826708927 663867134 /nfs/dbraw/zinc/86/71/34/663867134.db2.gz ZPQOPIRWVPNEQF-NSHDSACASA-N 1 1 323.349 -1.230 20 0 DAADMO COC(=O)c1cccn(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)c1=O ZINC000826708927 663867136 /nfs/dbraw/zinc/86/71/36/663867136.db2.gz ZPQOPIRWVPNEQF-NSHDSACASA-N 1 1 323.349 -1.230 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000826708369 663867278 /nfs/dbraw/zinc/86/72/78/663867278.db2.gz VDDHAPZGMIAHKX-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@H](CO)C1 ZINC000826708369 663867281 /nfs/dbraw/zinc/86/72/81/663867281.db2.gz VDDHAPZGMIAHKX-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827257359 663867902 /nfs/dbraw/zinc/86/79/02/663867902.db2.gz ZVKCNOMRVBXAKM-QWRGUYRKSA-N 1 1 304.416 -1.065 20 0 DAADMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000827191491 663867969 /nfs/dbraw/zinc/86/79/69/663867969.db2.gz DVBOGRAJERKUSI-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827257358 663868022 /nfs/dbraw/zinc/86/80/22/663868022.db2.gz ZVKCNOMRVBXAKM-MNOVXSKESA-N 1 1 304.416 -1.065 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000828195814 663868957 /nfs/dbraw/zinc/86/89/57/663868957.db2.gz JTGZLQBJFGBXJX-JTQLQIEISA-N 1 1 310.354 -1.728 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000828958246 663870334 /nfs/dbraw/zinc/87/03/34/663870334.db2.gz BIVATKNKZXTXPP-SRVKXCTJSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000828958243 663870406 /nfs/dbraw/zinc/87/04/06/663870406.db2.gz BIVATKNKZXTXPP-IJLUTSLNSA-N 1 1 321.385 -1.127 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CSCC(=O)N1)CCOCCO ZINC000829444503 663870819 /nfs/dbraw/zinc/87/08/19/663870819.db2.gz IHWNVPAFVKBRAM-JTQLQIEISA-N 1 1 305.400 -1.725 20 0 DAADMO NC1=CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)N1 ZINC000829831687 663870894 /nfs/dbraw/zinc/87/08/94/663870894.db2.gz QROBZKJUTQRHDJ-LBPRGKRZSA-N 1 1 323.397 -1.153 20 0 DAADMO CN1CCn2nc(C(=O)NC[C@H]3CC[N@@H+]3C)cc2S1(=O)=O ZINC000830135145 663872158 /nfs/dbraw/zinc/87/21/58/663872158.db2.gz LEUCQACQBJZZOD-SECBINFHSA-N 1 1 313.383 -1.049 20 0 DAADMO CN1CCn2nc(C(=O)NC[C@H]3CC[N@H+]3C)cc2S1(=O)=O ZINC000830135145 663872160 /nfs/dbraw/zinc/87/21/60/663872160.db2.gz LEUCQACQBJZZOD-SECBINFHSA-N 1 1 313.383 -1.049 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCN([S@](C)(=N)=O)CC2)CC1 ZINC000832184381 663873615 /nfs/dbraw/zinc/87/36/15/663873615.db2.gz UOONKWNHRQLXJX-FQEVSTJZSA-N 1 1 303.432 -1.030 20 0 DAADMO Cn1ccc(NC(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000834530575 663875375 /nfs/dbraw/zinc/87/53/75/663875375.db2.gz PHPJLUVUJGBOBM-NSHDSACASA-N 1 1 306.370 -1.135 20 0 DAADMO Cn1ccc(NC(=O)CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)n1 ZINC000834530574 663875568 /nfs/dbraw/zinc/87/55/68/663875568.db2.gz PHPJLUVUJGBOBM-LLVKDONJSA-N 1 1 306.370 -1.135 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC000836204859 663876100 /nfs/dbraw/zinc/87/61/00/663876100.db2.gz AARNYMBTVIFVPT-GFCCVEGCSA-N 1 1 321.324 -1.337 20 0 DAADMO COC(=O)[C@@H]1CN(C(=S)NCC(=O)N(C)C)CC[N@@H+](C)C1 ZINC000840857725 663876187 /nfs/dbraw/zinc/87/61/87/663876187.db2.gz SRHQNGNAASRNNN-JTQLQIEISA-N 1 1 316.427 -1.014 20 0 DAADMO O=C(NOCC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841907372 663876486 /nfs/dbraw/zinc/87/64/86/663876486.db2.gz LWFXDWDUCFIDTO-UHFFFAOYSA-N 1 1 318.399 -1.043 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164733 663876712 /nfs/dbraw/zinc/87/67/12/663876712.db2.gz NZJATXPEHKTLQH-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164733 663876713 /nfs/dbraw/zinc/87/67/13/663876713.db2.gz NZJATXPEHKTLQH-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842164739 663876739 /nfs/dbraw/zinc/87/67/39/663876739.db2.gz NZJATXPEHKTLQH-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1CNCCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842164739 663876743 /nfs/dbraw/zinc/87/67/43/663876743.db2.gz NZJATXPEHKTLQH-RWMBFGLXSA-N 1 1 310.398 -1.214 20 0 DAADMO COCC[N@H+]1[C@H](C)CN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]1C ZINC000844021817 663879959 /nfs/dbraw/zinc/87/99/59/663879959.db2.gz WSURORAIOVFLSC-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]1C ZINC000844021817 663879961 /nfs/dbraw/zinc/87/99/61/663879961.db2.gz WSURORAIOVFLSC-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO CCON(C)C(=O)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000844967345 663881496 /nfs/dbraw/zinc/88/14/96/663881496.db2.gz BFAFBWILHUTLQS-NSHDSACASA-N 1 1 301.391 -1.059 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC[C@H]21 ZINC000867426180 663887383 /nfs/dbraw/zinc/88/73/83/663887383.db2.gz KWEPQFRPXQSQDX-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846633979 663888149 /nfs/dbraw/zinc/88/81/49/663888149.db2.gz XDPSROXLPDHJSX-UWVGGRQHSA-N 1 1 306.388 -1.980 20 0 DAADMO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846739350 663888662 /nfs/dbraw/zinc/88/86/62/663888662.db2.gz YEVGZABXZGGPGK-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1ncc2c1nc(N)nc2N1CCC[N@H+](CC(N)=O)CC1 ZINC000848652533 663892487 /nfs/dbraw/zinc/89/24/87/663892487.db2.gz VKIPPQFYSOAGIK-UHFFFAOYSA-N 1 1 304.358 -1.057 20 0 DAADMO Cn1ncc2c1nc(N)nc2N1CCC[N@@H+](CC(N)=O)CC1 ZINC000848652533 663892488 /nfs/dbraw/zinc/89/24/88/663892488.db2.gz VKIPPQFYSOAGIK-UHFFFAOYSA-N 1 1 304.358 -1.057 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848637605 663892498 /nfs/dbraw/zinc/89/24/98/663892498.db2.gz RNGSABVDBVKCCB-ZENOOKHLSA-N 1 1 322.409 -1.382 20 0 DAADMO O=C(NCCOC1CCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848935616 663893391 /nfs/dbraw/zinc/89/33/91/663893391.db2.gz ZKJRQQNLLOJLIG-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000109960666 663895862 /nfs/dbraw/zinc/89/58/62/663895862.db2.gz PRTFOWUIMILTIU-UHFFFAOYSA-N 1 1 318.443 -1.272 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921261 663896809 /nfs/dbraw/zinc/89/68/09/663896809.db2.gz ZOYRQTYURVVZPQ-WFASDCNBSA-N 1 1 307.350 -1.194 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)CCO1 ZINC000851921261 663896812 /nfs/dbraw/zinc/89/68/12/663896812.db2.gz ZOYRQTYURVVZPQ-WFASDCNBSA-N 1 1 307.350 -1.194 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149455 663897921 /nfs/dbraw/zinc/89/79/21/663897921.db2.gz QFNBOFXKISYSHW-DOMZBBRYSA-N 1 1 307.350 -1.064 20 0 DAADMO NC(=O)C[C@@H]1COCC[N@H+]1C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852149455 663897923 /nfs/dbraw/zinc/89/79/23/663897923.db2.gz QFNBOFXKISYSHW-DOMZBBRYSA-N 1 1 307.350 -1.064 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(=O)n(C)c1=O ZINC000854353034 663901454 /nfs/dbraw/zinc/90/14/54/663901454.db2.gz PTMNTGWLWOEGAV-NSHDSACASA-N 1 1 321.381 -1.796 20 0 DAADMO Cn1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000857296389 663908303 /nfs/dbraw/zinc/90/83/03/663908303.db2.gz SALXTUJXODDBKF-UHFFFAOYSA-N 1 1 324.381 -1.075 20 0 DAADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000859453702 663912340 /nfs/dbraw/zinc/91/23/40/663912340.db2.gz UZSYEVKWUUYDFX-WOPDTQHZSA-N 1 1 315.370 -1.287 20 0 DAADMO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1COCCN1)C(C)C ZINC000861803219 663918591 /nfs/dbraw/zinc/91/85/91/663918591.db2.gz VPJQRQXYQZCGNS-LBPRGKRZSA-N 1 1 300.403 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1COCCN1)C(C)C ZINC000861803219 663918593 /nfs/dbraw/zinc/91/85/93/663918593.db2.gz VPJQRQXYQZCGNS-LBPRGKRZSA-N 1 1 300.403 -1.063 20 0 DAADMO C[N@H+](CCO)CCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000885804773 663919474 /nfs/dbraw/zinc/91/94/74/663919474.db2.gz RPZMYFPPLHNXAU-LLVKDONJSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+](CCO)CCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000885804773 663919476 /nfs/dbraw/zinc/91/94/76/663919476.db2.gz RPZMYFPPLHNXAU-LLVKDONJSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000862095862 663920128 /nfs/dbraw/zinc/92/01/28/663920128.db2.gz FJFZWFUCTGHAHM-ZRTFPUAOSA-N 1 1 322.361 -1.016 20 0 DAADMO O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000862095862 663920130 /nfs/dbraw/zinc/92/01/30/663920130.db2.gz FJFZWFUCTGHAHM-ZRTFPUAOSA-N 1 1 322.361 -1.016 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)CC[NH+]1CCOCC1 ZINC000863158964 663922474 /nfs/dbraw/zinc/92/24/74/663922474.db2.gz XLGJRZJGPRFJMM-UHFFFAOYSA-N 1 1 315.370 -1.106 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000863321865 663923367 /nfs/dbraw/zinc/92/33/67/663923367.db2.gz GWFXJNFLRYFIOG-CMPLNLGQSA-N 1 1 307.354 -1.055 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC000863544756 663924518 /nfs/dbraw/zinc/92/45/18/663924518.db2.gz AIXULXMECMQKDF-UHFFFAOYSA-N 1 1 320.415 -1.685 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccnn1C ZINC000867628032 663932329 /nfs/dbraw/zinc/93/23/29/663932329.db2.gz OMKFZXHXDAIURM-SDDRHHMPSA-N 1 1 321.381 -1.125 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC000868424027 663935132 /nfs/dbraw/zinc/93/51/32/663935132.db2.gz WHVNQFFXBDQDQQ-NNYUYHANSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000868424027 663935134 /nfs/dbraw/zinc/93/51/34/663935134.db2.gz WHVNQFFXBDQDQQ-NNYUYHANSA-N 1 1 324.381 -1.038 20 0 DAADMO C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923607351 663935922 /nfs/dbraw/zinc/93/59/22/663935922.db2.gz VETLKWZJASODSC-LBPRGKRZSA-N 1 1 305.448 -1.638 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1 ZINC000923614232 663936153 /nfs/dbraw/zinc/93/61/53/663936153.db2.gz PCCZNACXJBNDIS-LBPRGKRZSA-N 1 1 302.444 -1.000 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869780110 663936514 /nfs/dbraw/zinc/93/65/14/663936514.db2.gz OOKCYOLYDLTBHA-JTQLQIEISA-N 1 1 307.416 -1.113 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1=O ZINC000869778083 663936957 /nfs/dbraw/zinc/93/69/57/663936957.db2.gz WMCAAOIYJSSXIH-NSHDSACASA-N 1 1 311.386 -1.067 20 0 DAADMO O=S(=O)(N1CC[C@H](CN2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000923620399 663937848 /nfs/dbraw/zinc/93/78/48/663937848.db2.gz IIVLODLZASYMLB-CYBMUJFWSA-N 1 1 318.443 -1.210 20 0 DAADMO [NH3+]CC(F)(F)CC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870978036 663938607 /nfs/dbraw/zinc/93/86/07/663938607.db2.gz PFSRREZOKIRDAC-NSHDSACASA-N 1 1 307.297 -1.286 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000874351679 663940869 /nfs/dbraw/zinc/94/08/69/663940869.db2.gz JQTGARHHZSNWST-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NCC[NH+]1CCSCC1 ZINC000872924092 663940904 /nfs/dbraw/zinc/94/09/04/663940904.db2.gz ICZDUOHHZLIAET-UHFFFAOYSA-N 1 1 310.445 -1.035 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000874351680 663941038 /nfs/dbraw/zinc/94/10/38/663941038.db2.gz JQTGARHHZSNWST-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000874351681 663941629 /nfs/dbraw/zinc/94/16/29/663941629.db2.gz JQTGARHHZSNWST-QWHCGFSZSA-N 1 1 310.398 -1.131 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000875237117 663943353 /nfs/dbraw/zinc/94/33/53/663943353.db2.gz IAGUWMOWVXZNFK-QWRGUYRKSA-N 1 1 313.354 -1.221 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000875271790 663943369 /nfs/dbraw/zinc/94/33/69/663943369.db2.gz OCKPSOSGSUAJJU-SNVBAGLBSA-N 1 1 300.359 -1.839 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000875399576 663943861 /nfs/dbraw/zinc/94/38/61/663943861.db2.gz BORGZBCIZGBBHA-ZJUUUORDSA-N 1 1 301.343 -1.365 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000875399576 663943863 /nfs/dbraw/zinc/94/38/63/663943863.db2.gz BORGZBCIZGBBHA-ZJUUUORDSA-N 1 1 301.343 -1.365 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000875399575 663943986 /nfs/dbraw/zinc/94/39/86/663943986.db2.gz BORGZBCIZGBBHA-VHSXEESVSA-N 1 1 301.343 -1.365 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000875399575 663943990 /nfs/dbraw/zinc/94/39/90/663943990.db2.gz BORGZBCIZGBBHA-VHSXEESVSA-N 1 1 301.343 -1.365 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC(O)(C(=O)OC)C2)C1 ZINC000875309257 663944223 /nfs/dbraw/zinc/94/42/23/663944223.db2.gz VMNGWPILBYRBOD-SNVBAGLBSA-N 1 1 301.343 -1.364 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000875399574 663944486 /nfs/dbraw/zinc/94/44/86/663944486.db2.gz BORGZBCIZGBBHA-UWVGGRQHSA-N 1 1 301.343 -1.365 20 0 DAADMO COC(=O)C1(O)CN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000875399574 663944488 /nfs/dbraw/zinc/94/44/88/663944488.db2.gz BORGZBCIZGBBHA-UWVGGRQHSA-N 1 1 301.343 -1.365 20 0 DAADMO CON(C)C(=O)[C@H](C)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000875893777 663944778 /nfs/dbraw/zinc/94/47/78/663944778.db2.gz DDJGXRQTMPRYJI-GARJFASQSA-N 1 1 300.359 -1.145 20 0 DAADMO CON(C)C(=O)[C@H](C)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000875894589 663944817 /nfs/dbraw/zinc/94/48/17/663944817.db2.gz RZFCGDAKYJSMTL-GXSJLCMTSA-N 1 1 300.359 -1.145 20 0 DAADMO CON(C)C(=O)[C@H](C)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000875894589 663944820 /nfs/dbraw/zinc/94/48/20/663944820.db2.gz RZFCGDAKYJSMTL-GXSJLCMTSA-N 1 1 300.359 -1.145 20 0 DAADMO C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000876512038 663945458 /nfs/dbraw/zinc/94/54/58/663945458.db2.gz DRSZZCVRWZKWRI-OLZOCXBDSA-N 1 1 311.430 -1.454 20 0 DAADMO O=C(CN1CCOC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876808294 663948588 /nfs/dbraw/zinc/94/85/88/663948588.db2.gz HCEVARVQIOAALO-LLVKDONJSA-N 1 1 310.354 -1.139 20 0 DAADMO CC[NH+]1CCN(CCNC(=O)[C@]2(COC)CNCCO2)CC1 ZINC000876780063 663948717 /nfs/dbraw/zinc/94/87/17/663948717.db2.gz BRXFURGCZQXMJF-OAHLLOKOSA-N 1 1 314.430 -1.255 20 0 DAADMO O=C(N1CCNCC1)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000876995347 663949005 /nfs/dbraw/zinc/94/90/05/663949005.db2.gz RYHKQPBXOZDHTI-CQSZACIVSA-N 1 1 313.377 -1.143 20 0 DAADMO CCO[C@@H]1CN(C(=O)[C@]2(COC)CNCCO2)C[C@H]1C[NH3+] ZINC000876949877 663949480 /nfs/dbraw/zinc/94/94/80/663949480.db2.gz YDDOPDSPIQXTPM-YRGRVCCFSA-N 1 1 301.387 -1.186 20 0 DAADMO O=C(N1CCNCC1)N1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923659004 663950412 /nfs/dbraw/zinc/95/04/12/663950412.db2.gz DPWNVVSHUSXOQM-UHFFFAOYSA-N 1 1 317.415 -2.069 20 0 DAADMO Cn1nnnc1CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000878198649 663952188 /nfs/dbraw/zinc/95/21/88/663952188.db2.gz OSLSKDOTXGEBKL-LBPRGKRZSA-N 1 1 307.402 -1.009 20 0 DAADMO C[C@@H]1CN(CCn2cnnn2)[C@@H](C)C[N@H+]1CCn1cnnn1 ZINC000878289812 663952243 /nfs/dbraw/zinc/95/22/43/663952243.db2.gz HHYIJXGOJDBAFX-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1C[N@H+](CCn2cnnn2)[C@@H](C)CN1CCn1cnnn1 ZINC000878289812 663952246 /nfs/dbraw/zinc/95/22/46/663952246.db2.gz HHYIJXGOJDBAFX-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cnnn2)[C@@H](C)CN1CCn1cnnn1 ZINC000878289812 663952248 /nfs/dbraw/zinc/95/22/48/663952248.db2.gz HHYIJXGOJDBAFX-TXEJJXNPSA-N 1 1 306.378 -1.246 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000878749390 663952857 /nfs/dbraw/zinc/95/28/57/663952857.db2.gz OCHVODXHILRGIX-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000879185316 663953198 /nfs/dbraw/zinc/95/31/98/663953198.db2.gz KORPWXPBBXDYDI-SNVBAGLBSA-N 1 1 307.358 -1.411 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000878749391 663953255 /nfs/dbraw/zinc/95/32/55/663953255.db2.gz OCHVODXHILRGIX-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C)S(=O)(=O)N1CCC[N@H+](CCn2cnnn2)CC1 ZINC000878633307 663953404 /nfs/dbraw/zinc/95/34/04/663953404.db2.gz XMKCSJIOMVMUBI-UHFFFAOYSA-N 1 1 303.392 -1.513 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532496 663953941 /nfs/dbraw/zinc/95/39/41/663953941.db2.gz ZDAKGRGYSQBGNJ-AOOOYVTPSA-N 1 1 303.384 -1.186 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879719804 663954542 /nfs/dbraw/zinc/95/45/42/663954542.db2.gz UFDOQIUBNIUENM-GWCFXTLKSA-N 1 1 313.354 -1.355 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879719804 663954550 /nfs/dbraw/zinc/95/45/50/663954550.db2.gz UFDOQIUBNIUENM-GWCFXTLKSA-N 1 1 313.354 -1.355 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717789 663954886 /nfs/dbraw/zinc/95/48/86/663954886.db2.gz HVLMSUWCBVXXPV-CMPLNLGQSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717789 663954888 /nfs/dbraw/zinc/95/48/88/663954888.db2.gz HVLMSUWCBVXXPV-CMPLNLGQSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N(C)CCS(N)(=O)=O)CC1 ZINC000880080848 663955548 /nfs/dbraw/zinc/95/55/48/663955548.db2.gz GIQAXCNOJVKKKB-NSHDSACASA-N 1 1 306.432 -1.241 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2CCC(=O)NCC23COC3)CC1 ZINC000880400226 663956182 /nfs/dbraw/zinc/95/61/82/663956182.db2.gz FUCKQDOYTMBRRO-UHFFFAOYSA-N 1 1 310.398 -1.259 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC(=O)NCC12COC2 ZINC000880402402 663956339 /nfs/dbraw/zinc/95/63/39/663956339.db2.gz WBSJFTOAERLPLW-LBPRGKRZSA-N 1 1 301.387 -1.484 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1CC=C[C@@H]1CO)S(C)(=O)=O ZINC000880487458 663956832 /nfs/dbraw/zinc/95/68/32/663956832.db2.gz VJDWKBAXGNAOSZ-LLVKDONJSA-N 1 1 305.400 -1.383 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1CC=C[C@@H]1CO)S(C)(=O)=O ZINC000880487458 663956834 /nfs/dbraw/zinc/95/68/34/663956834.db2.gz VJDWKBAXGNAOSZ-LLVKDONJSA-N 1 1 305.400 -1.383 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000882487408 663960017 /nfs/dbraw/zinc/96/00/17/663960017.db2.gz FAAZPJIDPHXKHY-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000883646933 663961670 /nfs/dbraw/zinc/96/16/70/663961670.db2.gz FYYWRFWCOZPIKY-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC001006344090 663962040 /nfs/dbraw/zinc/96/20/40/663962040.db2.gz SHQHOZAGHCUJPS-FXPVBKGRSA-N 1 1 312.370 -1.846 20 0 DAADMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(C(=O)C(N)=O)C1 ZINC001006344090 663962047 /nfs/dbraw/zinc/96/20/47/663962047.db2.gz SHQHOZAGHCUJPS-FXPVBKGRSA-N 1 1 312.370 -1.846 20 0 DAADMO Cc1nn(CC(=O)N(C)C2CC[NH+](CC(N)=O)CC2)c(=O)n1C ZINC001006354763 663962312 /nfs/dbraw/zinc/96/23/12/663962312.db2.gz BVWDGZZQQNXPKS-UHFFFAOYSA-N 1 1 324.385 -1.702 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc(CN2CCNC(=O)C2)nn1 ZINC000883996815 663962942 /nfs/dbraw/zinc/96/29/42/663962942.db2.gz PGHPBLUPMCZXDR-ZDUSSCGKSA-N 1 1 310.402 -1.089 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(CN2CCNC(=O)C2)nn1 ZINC000883996814 663963317 /nfs/dbraw/zinc/96/33/17/663963317.db2.gz PGHPBLUPMCZXDR-CYBMUJFWSA-N 1 1 310.402 -1.089 20 0 DAADMO COCCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884603715 663965582 /nfs/dbraw/zinc/96/55/82/663965582.db2.gz PMYVCMRYMGSZRP-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884642916 663965813 /nfs/dbraw/zinc/96/58/13/663965813.db2.gz SOWDPHZJFJTRGY-XQQFMLRXSA-N 1 1 310.398 -1.214 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884642678 663965957 /nfs/dbraw/zinc/96/59/57/663965957.db2.gz OQECINMKCWNCPJ-WOSRLPQWSA-N 1 1 324.425 -1.109 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)CC[C@@H]21 ZINC000884816200 663967849 /nfs/dbraw/zinc/96/78/49/663967849.db2.gz WEYPVGBONSDKII-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)CC[C@@H]21 ZINC000884816200 663967850 /nfs/dbraw/zinc/96/78/50/663967850.db2.gz WEYPVGBONSDKII-UPJWGTAASA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC000885288991 663968748 /nfs/dbraw/zinc/96/87/48/663968748.db2.gz JOFFFZKHAOAIEL-NSHDSACASA-N 1 1 318.443 -1.383 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006385827 663968758 /nfs/dbraw/zinc/96/87/58/663968758.db2.gz ZGHCSPABNZBXAA-UHFFFAOYSA-N 1 1 310.354 -1.457 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885892808 663969093 /nfs/dbraw/zinc/96/90/93/663969093.db2.gz DCNVCUXKJFDKCD-ZDUSSCGKSA-N 1 1 310.398 -1.212 20 0 DAADMO CO[C@@H](CS(=O)(=O)NCC[N@H+](C)CCO)[C@H]1CCOC1 ZINC000885800986 663969210 /nfs/dbraw/zinc/96/92/10/663969210.db2.gz IODNSVUURCITNV-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO CO[C@@H](CS(=O)(=O)NCC[N@@H+](C)CCO)[C@H]1CCOC1 ZINC000885800986 663969213 /nfs/dbraw/zinc/96/92/13/663969213.db2.gz IODNSVUURCITNV-RYUDHWBXSA-N 1 1 310.416 -1.119 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000885886271 663969335 /nfs/dbraw/zinc/96/93/35/663969335.db2.gz UQBSRASTGAZGDI-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)[nH]c1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006396327 663970849 /nfs/dbraw/zinc/97/08/49/663970849.db2.gz MQJPXCZALAOGDL-UHFFFAOYSA-N 1 1 323.353 -1.492 20 0 DAADMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886182621 663971329 /nfs/dbraw/zinc/97/13/29/663971329.db2.gz LFKDWWDLKHCTFF-NWDGAFQWSA-N 1 1 314.411 -1.026 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC[N@H+]1C ZINC000886179869 663971454 /nfs/dbraw/zinc/97/14/54/663971454.db2.gz DRPNXCUOCTYDFA-GMTAPVOTSA-N 1 1 302.400 -1.313 20 0 DAADMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886182623 663971644 /nfs/dbraw/zinc/97/16/44/663971644.db2.gz LFKDWWDLKHCTFF-VXGBXAGGSA-N 1 1 314.411 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000886187681 663971720 /nfs/dbraw/zinc/97/17/20/663971720.db2.gz ZJPMTZDNCPUSQK-NSHDSACASA-N 1 1 302.400 -1.169 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189473 663972139 /nfs/dbraw/zinc/97/21/39/663972139.db2.gz NQPWOYYTIDVJQS-NXEZZACHSA-N 1 1 304.372 -2.322 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189473 663972141 /nfs/dbraw/zinc/97/21/41/663972141.db2.gz NQPWOYYTIDVJQS-NXEZZACHSA-N 1 1 304.372 -2.322 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189974 663972475 /nfs/dbraw/zinc/97/24/75/663972475.db2.gz XGKSYHUXLLYDHB-WDEREUQCSA-N 1 1 318.399 -1.932 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189974 663972479 /nfs/dbraw/zinc/97/24/79/663972479.db2.gz XGKSYHUXLLYDHB-WDEREUQCSA-N 1 1 318.399 -1.932 20 0 DAADMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000930183915 663972835 /nfs/dbraw/zinc/97/28/35/663972835.db2.gz IICJSUZUZFPFLR-JTQLQIEISA-N 1 1 305.400 -1.254 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000887933543 663976753 /nfs/dbraw/zinc/97/67/53/663976753.db2.gz WHPNUNWRCVRKOU-OTYXRUKQSA-N 1 1 308.338 -1.183 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1=O ZINC000889763919 663977610 /nfs/dbraw/zinc/97/76/10/663977610.db2.gz VFXXHGYREYACTM-NWDGAFQWSA-N 1 1 309.370 -1.361 20 0 DAADMO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930142498 663977819 /nfs/dbraw/zinc/97/78/19/663977819.db2.gz ILDQZSZZSWTBGW-RYUDHWBXSA-N 1 1 302.371 -1.586 20 0 DAADMO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930142501 663977937 /nfs/dbraw/zinc/97/79/37/663977937.db2.gz ILDQZSZZSWTBGW-VXGBXAGGSA-N 1 1 302.371 -1.586 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889743022 663978118 /nfs/dbraw/zinc/97/81/18/663978118.db2.gz DABKUTXQKYTNNJ-RYUDHWBXSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889782575 663978304 /nfs/dbraw/zinc/97/83/04/663978304.db2.gz SBXRPGRFOVNKQA-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO CC1(C)CC[N@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000890081412 663978492 /nfs/dbraw/zinc/97/84/92/663978492.db2.gz HKBXHDVHOOXZDJ-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000890081412 663978495 /nfs/dbraw/zinc/97/84/95/663978495.db2.gz HKBXHDVHOOXZDJ-JTQLQIEISA-N 1 1 317.411 -1.252 20 0 DAADMO CC(C)N(C)S(=O)(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923717687 663979935 /nfs/dbraw/zinc/97/99/35/663979935.db2.gz UWQAGLJFNQOWQM-ZJUUUORDSA-N 1 1 311.429 -1.358 20 0 DAADMO CC1=C(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)Cn2nnnc2N1C ZINC000924979186 663980080 /nfs/dbraw/zinc/98/00/80/663980080.db2.gz DOUWOHSYRZRJSC-UWVGGRQHSA-N 1 1 307.358 -1.422 20 0 DAADMO NC(=O)C(=O)NC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000947002634 663980214 /nfs/dbraw/zinc/98/02/14/663980214.db2.gz LDYGDEXWAKTAIL-RYUDHWBXSA-N 1 1 324.381 -1.558 20 0 DAADMO NC(=O)C(=O)NC1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000947002632 663980610 /nfs/dbraw/zinc/98/06/10/663980610.db2.gz LDYGDEXWAKTAIL-NEPJUHHUSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000925428760 663981420 /nfs/dbraw/zinc/98/14/20/663981420.db2.gz MIAYNYUHNRRJSI-GHMZBOCLSA-N 1 1 320.415 -1.350 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000925428765 663981475 /nfs/dbraw/zinc/98/14/75/663981475.db2.gz MIAYNYUHNRRJSI-MNOVXSKESA-N 1 1 320.415 -1.350 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925398099 663981526 /nfs/dbraw/zinc/98/15/26/663981526.db2.gz UFUIRTVXKARSDK-NSHDSACASA-N 1 1 319.431 -1.176 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000925400437 663981602 /nfs/dbraw/zinc/98/16/02/663981602.db2.gz QXIUEENEWKUAQP-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN1C[C@H](O)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926440526 663984313 /nfs/dbraw/zinc/98/43/13/663984313.db2.gz SAGICOQKJRMQHN-ZENOOKHLSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947035565 663985681 /nfs/dbraw/zinc/98/56/81/663985681.db2.gz BYXPGRCKKGVQBW-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2nccn2)C1 ZINC000954318440 663985976 /nfs/dbraw/zinc/98/59/76/663985976.db2.gz TXJGNHPARSQNQG-NSHDSACASA-N 1 1 306.370 -1.101 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC000947035920 663986052 /nfs/dbraw/zinc/98/60/52/663986052.db2.gz JCHCYSSMWDTRMD-RYUDHWBXSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000928453165 663986890 /nfs/dbraw/zinc/98/68/90/663986890.db2.gz IIJUGOIOUCEXFQ-ONGXEEELSA-N 1 1 315.399 -1.093 20 0 DAADMO CC(C)(CNS(C)(=O)=O)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000928857203 663987193 /nfs/dbraw/zinc/98/71/93/663987193.db2.gz HXLGEPVQCACSDH-LLVKDONJSA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000928438409 663987274 /nfs/dbraw/zinc/98/72/74/663987274.db2.gz JTOTTYLAPWKQAJ-NEPJUHHUSA-N 1 1 318.443 -1.228 20 0 DAADMO C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000929110837 663987532 /nfs/dbraw/zinc/98/75/32/663987532.db2.gz RCACQRIMLQFQLR-CHWSQXEVSA-N 1 1 301.387 -1.796 20 0 DAADMO COCCCNC(=O)C[N@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929245868 663987682 /nfs/dbraw/zinc/98/76/82/663987682.db2.gz GPWHFAVTUFVBTG-OCCSQVGLSA-N 1 1 304.387 -1.027 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929245868 663987692 /nfs/dbraw/zinc/98/76/92/663987692.db2.gz GPWHFAVTUFVBTG-OCCSQVGLSA-N 1 1 304.387 -1.027 20 0 DAADMO COCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C1(O)CCOCC1 ZINC000929282248 663987938 /nfs/dbraw/zinc/98/79/38/663987938.db2.gz UIUOVJXYSJXSKQ-GFCCVEGCSA-N 1 1 304.387 -1.075 20 0 DAADMO COCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C1(O)CCOCC1 ZINC000929282248 663987942 /nfs/dbraw/zinc/98/79/42/663987942.db2.gz UIUOVJXYSJXSKQ-GFCCVEGCSA-N 1 1 304.387 -1.075 20 0 DAADMO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000929463675 663988025 /nfs/dbraw/zinc/98/80/25/663988025.db2.gz ZGYNDLJGXJNBRG-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000929463675 663988031 /nfs/dbraw/zinc/98/80/31/663988031.db2.gz ZGYNDLJGXJNBRG-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO O=C1NC[C@H]2C[N@H+](C[C@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845876 663988954 /nfs/dbraw/zinc/98/89/54/663988954.db2.gz YSJFGBPVYOOQRT-NWDGAFQWSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1NC[C@H]2C[N@@H+](C[C@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845876 663988956 /nfs/dbraw/zinc/98/89/56/663988956.db2.gz YSJFGBPVYOOQRT-NWDGAFQWSA-N 1 1 311.382 -1.315 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000929473264 663989104 /nfs/dbraw/zinc/98/91/04/663989104.db2.gz XGMCRKNEMCEQKN-RYUDHWBXSA-N 1 1 322.427 -1.098 20 0 DAADMO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000929521802 663989151 /nfs/dbraw/zinc/98/91/51/663989151.db2.gz OWEDFKDCNAGZIT-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929779970 663989236 /nfs/dbraw/zinc/98/92/36/663989236.db2.gz JENNXFRMXKFOAJ-HUUCEWRRSA-N 1 1 318.414 -1.485 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000929981691 663989887 /nfs/dbraw/zinc/98/98/87/663989887.db2.gz KLFABUIBJCLYGS-YNEHKIRRSA-N 1 1 322.427 -1.098 20 0 DAADMO COCC(COC)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929984809 663990009 /nfs/dbraw/zinc/99/00/09/663990009.db2.gz XYXDVTZSZCDQHC-STQMWFEESA-N 1 1 322.427 -1.265 20 0 DAADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930016898 663990054 /nfs/dbraw/zinc/99/00/54/663990054.db2.gz FLEDWLDODAEODC-XQQFMLRXSA-N 1 1 322.427 -1.098 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000930016340 663990344 /nfs/dbraw/zinc/99/03/44/663990344.db2.gz ALVSBZQZDOSOQY-VXGBXAGGSA-N 1 1 322.427 -1.098 20 0 DAADMO C[N@@H+](C[C@H](O)C1(O)CCOCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000930540888 663990703 /nfs/dbraw/zinc/99/07/03/663990703.db2.gz KDIPUQVYZINVPF-RYUDHWBXSA-N 1 1 322.427 -1.146 20 0 DAADMO C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000930539891 663991592 /nfs/dbraw/zinc/99/15/92/663991592.db2.gz CATKTNOGKPHMRX-JHJVBQTASA-N 1 1 322.427 -1.146 20 0 DAADMO CS(=O)(=O)N1CC(C[NH+]2CCN(c3nc[nH]n3)CC2)C1 ZINC000930868617 663992160 /nfs/dbraw/zinc/99/21/60/663992160.db2.gz KJJYFVKBIQSXMY-UHFFFAOYSA-N 1 1 300.388 -1.182 20 0 DAADMO CS(=O)(=O)N1CC(CN2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000930859514 663992398 /nfs/dbraw/zinc/99/23/98/663992398.db2.gz QAUFLLDPTZEVFC-UHFFFAOYSA-N 1 1 314.415 -1.186 20 0 DAADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000931124859 663993274 /nfs/dbraw/zinc/99/32/74/663993274.db2.gz DAQPCZGFZVELNK-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)C2(O)CCC2)CC1 ZINC000931256731 663993428 /nfs/dbraw/zinc/99/34/28/663993428.db2.gz QEYYSMZFZIYRPU-ZDUSSCGKSA-N 1 1 313.398 -1.067 20 0 DAADMO COC1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CS(=O)(=O)C1 ZINC000931187957 663993613 /nfs/dbraw/zinc/99/36/13/663993613.db2.gz ZRLLFKXFSCYEBD-GHMZBOCLSA-N 1 1 318.395 -1.221 20 0 DAADMO COC1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CS(=O)(=O)C1 ZINC000931187957 663993617 /nfs/dbraw/zinc/99/36/17/663993617.db2.gz ZRLLFKXFSCYEBD-GHMZBOCLSA-N 1 1 318.395 -1.221 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)CC2CN(S(C)(=O)=O)C2)CC1 ZINC000931489183 663993852 /nfs/dbraw/zinc/99/38/52/663993852.db2.gz YYOMJWHCDSAHKM-UHFFFAOYSA-N 1 1 318.443 -1.416 20 0 DAADMO C[N@@H+]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1CO ZINC000931409978 663994280 /nfs/dbraw/zinc/99/42/80/663994280.db2.gz ILVDDOSAUQHHNU-CQSZACIVSA-N 1 1 324.425 -1.325 20 0 DAADMO C[N@H+]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1CO ZINC000931409978 663994281 /nfs/dbraw/zinc/99/42/81/663994281.db2.gz ILVDDOSAUQHHNU-CQSZACIVSA-N 1 1 324.425 -1.325 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931411786 663994285 /nfs/dbraw/zinc/99/42/85/663994285.db2.gz BZXFYCXRILYPQR-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931411786 663994287 /nfs/dbraw/zinc/99/42/87/663994287.db2.gz BZXFYCXRILYPQR-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@H+](C)[C@@H](CO)C3)nc2c(=O)n(C)c1=O ZINC000931403523 663994346 /nfs/dbraw/zinc/99/43/46/663994346.db2.gz MCBNUHNKHUIJDQ-SECBINFHSA-N 1 1 322.369 -1.931 20 0 DAADMO Cn1c2[nH]c(CN3CC[N@@H+](C)[C@@H](CO)C3)nc2c(=O)n(C)c1=O ZINC000931403523 663994351 /nfs/dbraw/zinc/99/43/51/663994351.db2.gz MCBNUHNKHUIJDQ-SECBINFHSA-N 1 1 322.369 -1.931 20 0 DAADMO Cn1c(N)c(C(=O)CN2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c(=O)n(C)c1=O ZINC000931395398 663994548 /nfs/dbraw/zinc/99/45/48/663994548.db2.gz PWUFZLRHRLAZDG-AOOOYVTPSA-N 1 1 321.381 -1.373 20 0 DAADMO Cn1c(N)c(C(=O)CN2[C@@H]3CC[C@H]2C[N@H+](C)C3)c(=O)n(C)c1=O ZINC000931395398 663994549 /nfs/dbraw/zinc/99/45/49/663994549.db2.gz PWUFZLRHRLAZDG-AOOOYVTPSA-N 1 1 321.381 -1.373 20 0 DAADMO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931662288 663995148 /nfs/dbraw/zinc/99/51/48/663995148.db2.gz LEKUONTXICIMAY-ZJUUUORDSA-N 1 1 303.384 -1.548 20 0 DAADMO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000931662280 663995274 /nfs/dbraw/zinc/99/52/74/663995274.db2.gz LEKUONTXICIMAY-UWVGGRQHSA-N 1 1 303.384 -1.548 20 0 DAADMO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931651829 663995387 /nfs/dbraw/zinc/99/53/87/663995387.db2.gz LMIUXPHIUKVTPA-MNOVXSKESA-N 1 1 315.395 -1.404 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000931869857 663996157 /nfs/dbraw/zinc/99/61/57/663996157.db2.gz HHGJMHOKWMSNHA-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000931869857 663996163 /nfs/dbraw/zinc/99/61/63/663996163.db2.gz HHGJMHOKWMSNHA-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000931880442 663996241 /nfs/dbraw/zinc/99/62/41/663996241.db2.gz CVAMNUYBZICVLC-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000931880442 663996244 /nfs/dbraw/zinc/99/62/44/663996244.db2.gz CVAMNUYBZICVLC-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1CCSCC1 ZINC000931875318 663996309 /nfs/dbraw/zinc/99/63/09/663996309.db2.gz WDEBNOFQQCUCDC-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1CCSCC1 ZINC000931875318 663996315 /nfs/dbraw/zinc/99/63/15/663996315.db2.gz WDEBNOFQQCUCDC-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO COCCN(CC[NH+](C)C)C(=O)C1(OC)CS(=O)(=O)C1 ZINC000932042409 663997267 /nfs/dbraw/zinc/99/72/67/663997267.db2.gz MPQPQNRLCSKIGC-UHFFFAOYSA-N 1 1 308.400 -1.163 20 0 DAADMO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932031838 663997562 /nfs/dbraw/zinc/99/75/62/663997562.db2.gz OPKAXKCGYGOHGG-NSHDSACASA-N 1 1 319.427 -1.054 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931889274 663997800 /nfs/dbraw/zinc/99/78/00/663997800.db2.gz FRVKJTSIGSMJDH-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO CN1CC[C@H]1CNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931885020 663997813 /nfs/dbraw/zinc/99/78/13/663997813.db2.gz BRQYQPPAZOSRHN-UONOGXRCSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000931886905 663997869 /nfs/dbraw/zinc/99/78/69/663997869.db2.gz QNMMAOVPZBLMHX-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000931886905 663997884 /nfs/dbraw/zinc/99/78/84/663997884.db2.gz QNMMAOVPZBLMHX-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)CC1 ZINC000932353400 663998096 /nfs/dbraw/zinc/99/80/96/663998096.db2.gz LXYGBOWREDZFIV-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC000932353401 663998656 /nfs/dbraw/zinc/99/86/56/663998656.db2.gz LXYGBOWREDZFIV-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932514793 663999078 /nfs/dbraw/zinc/99/90/78/663999078.db2.gz UVEMMQUBEHFCMK-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932514793 663999080 /nfs/dbraw/zinc/99/90/80/663999080.db2.gz UVEMMQUBEHFCMK-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948810 664000221 /nfs/dbraw/zinc/00/02/21/664000221.db2.gz UENMEBGYFPHALW-VXGBXAGGSA-N 1 1 309.432 -1.464 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932948810 664000224 /nfs/dbraw/zinc/00/02/24/664000224.db2.gz UENMEBGYFPHALW-VXGBXAGGSA-N 1 1 309.432 -1.464 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964650 664000257 /nfs/dbraw/zinc/00/02/57/664000257.db2.gz UAVOFBWRQAFUDN-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CCO1 ZINC000932964650 664000261 /nfs/dbraw/zinc/00/02/61/664000261.db2.gz UAVOFBWRQAFUDN-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO O=C(C[NH+]1CCC2(CCNC(=O)O2)CC1)N1CCNC(=O)C1 ZINC000932767175 664000278 /nfs/dbraw/zinc/00/02/78/664000278.db2.gz MFMRGRXNSOLIGH-UHFFFAOYSA-N 1 1 310.354 -1.091 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](CCCN3CCOCC3)CCN21 ZINC000933097643 664000662 /nfs/dbraw/zinc/00/06/62/664000662.db2.gz ULAZOBNECYWGCD-GFCCVEGCSA-N 1 1 304.416 -1.457 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@H](O)C3(O)CCCC3)CCN21 ZINC000933094052 664000904 /nfs/dbraw/zinc/00/09/04/664000904.db2.gz RPQZEDPOYFNRKB-MNOVXSKESA-N 1 1 305.400 -1.513 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H](O)C3(O)CCCC3)CCN21 ZINC000933094052 664000907 /nfs/dbraw/zinc/00/09/07/664000907.db2.gz RPQZEDPOYFNRKB-MNOVXSKESA-N 1 1 305.400 -1.513 20 0 DAADMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C1 ZINC000933850342 664002342 /nfs/dbraw/zinc/00/23/42/664002342.db2.gz FTYHOALHLLHKCI-RYUDHWBXSA-N 1 1 313.398 -1.354 20 0 DAADMO O=C(CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CCNC(=O)C1 ZINC000934252006 664002663 /nfs/dbraw/zinc/00/26/63/664002663.db2.gz IIBMMHQFDKPHKN-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000935426607 664004831 /nfs/dbraw/zinc/00/48/31/664004831.db2.gz AFPWHOKQISSGHW-MNOVXSKESA-N 1 1 317.411 -1.111 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000935426607 664004835 /nfs/dbraw/zinc/00/48/35/664004835.db2.gz AFPWHOKQISSGHW-MNOVXSKESA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000935442681 664005117 /nfs/dbraw/zinc/00/51/17/664005117.db2.gz BOLREQCKZUYXJG-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000935844114 664006096 /nfs/dbraw/zinc/00/60/96/664006096.db2.gz ZZWHAOGFAWHLCF-ZIAGYGMSSA-N 1 1 310.398 -1.260 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC(N)=O ZINC000947408696 664007522 /nfs/dbraw/zinc/00/75/22/664007522.db2.gz IDBGLGNNERBRPO-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1CC(N)=O ZINC000947408696 664007529 /nfs/dbraw/zinc/00/75/29/664007529.db2.gz IDBGLGNNERBRPO-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC(N)=O ZINC000947408695 664007649 /nfs/dbraw/zinc/00/76/49/664007649.db2.gz IDBGLGNNERBRPO-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1CC(N)=O ZINC000947408695 664007652 /nfs/dbraw/zinc/00/76/52/664007652.db2.gz IDBGLGNNERBRPO-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[N@@H+]1CC(N)=O ZINC000947396673 664007702 /nfs/dbraw/zinc/00/77/02/664007702.db2.gz ZTMZJQUHOVVTCZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[N@H+]1CC(N)=O ZINC000947396673 664007707 /nfs/dbraw/zinc/00/77/07/664007707.db2.gz ZTMZJQUHOVVTCZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC000947463880 664008164 /nfs/dbraw/zinc/00/81/64/664008164.db2.gz NSOBXIAALUXTSX-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC(N)=O ZINC000947561076 664008708 /nfs/dbraw/zinc/00/87/08/664008708.db2.gz WQHMZDSDRQBJTF-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1CC(N)=O ZINC000947561076 664008710 /nfs/dbraw/zinc/00/87/10/664008710.db2.gz WQHMZDSDRQBJTF-UWVGGRQHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC(N)=O ZINC000947561074 664008901 /nfs/dbraw/zinc/00/89/01/664008901.db2.gz WQHMZDSDRQBJTF-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1CC(N)=O ZINC000947561074 664008904 /nfs/dbraw/zinc/00/89/04/664008904.db2.gz WQHMZDSDRQBJTF-NXEZZACHSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CCCO ZINC000947619353 664009037 /nfs/dbraw/zinc/00/90/37/664009037.db2.gz HLEOQUHVWXYBQD-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC(=O)N(C)C ZINC000947630250 664009145 /nfs/dbraw/zinc/00/91/45/664009145.db2.gz XNBSDNHJZYWUTA-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CCCO ZINC000947619352 664009393 /nfs/dbraw/zinc/00/93/93/664009393.db2.gz HLEOQUHVWXYBQD-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947805338 664010881 /nfs/dbraw/zinc/01/08/81/664010881.db2.gz HJVQYMLCFQSMLO-SCZZXKLOSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947805338 664010884 /nfs/dbraw/zinc/01/08/84/664010884.db2.gz HJVQYMLCFQSMLO-SCZZXKLOSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC000947900602 664011080 /nfs/dbraw/zinc/01/10/80/664011080.db2.gz SUDLBXDFKQTLLB-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC000947900603 664011249 /nfs/dbraw/zinc/01/12/49/664011249.db2.gz SUDLBXDFKQTLLB-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC000947930999 664011515 /nfs/dbraw/zinc/01/15/15/664011515.db2.gz XYBDVHCMNXGRLA-ZJUUUORDSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC000947930998 664011601 /nfs/dbraw/zinc/01/16/01/664011601.db2.gz XYBDVHCMNXGRLA-VHSXEESVSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000947968515 664011785 /nfs/dbraw/zinc/01/17/85/664011785.db2.gz BZZKPUNEISQPKG-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCO ZINC000948010344 664011862 /nfs/dbraw/zinc/01/18/62/664011862.db2.gz ARHCRSNWBQKJKL-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000948037258 664012930 /nfs/dbraw/zinc/01/29/30/664012930.db2.gz SGNCJZRBHWNWDH-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000948037258 664012936 /nfs/dbraw/zinc/01/29/36/664012936.db2.gz SGNCJZRBHWNWDH-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080154 664014245 /nfs/dbraw/zinc/01/42/45/664014245.db2.gz CSOBCASKNHENGP-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080154 664014249 /nfs/dbraw/zinc/01/42/49/664014249.db2.gz CSOBCASKNHENGP-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC(N)=O ZINC000948078090 664014395 /nfs/dbraw/zinc/01/43/95/664014395.db2.gz HUCZXCCPYVFJAH-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@H+]1CC(N)=O ZINC000948078090 664014397 /nfs/dbraw/zinc/01/43/97/664014397.db2.gz HUCZXCCPYVFJAH-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO NC(=O)C(=O)N1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000948084217 664015002 /nfs/dbraw/zinc/01/50/02/664015002.db2.gz RHXYRTGAFJPUON-VXGBXAGGSA-N 1 1 324.381 -1.558 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000948173960 664015918 /nfs/dbraw/zinc/01/59/18/664015918.db2.gz YIBQKIPEDFKZAK-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173018 664015988 /nfs/dbraw/zinc/01/59/88/664015988.db2.gz HAAOZENMHHWOGX-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2ncnn2)CC1 ZINC000948369308 664016555 /nfs/dbraw/zinc/01/65/55/664016555.db2.gz ZGKUUAYPEOQRGZ-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948382045 664016942 /nfs/dbraw/zinc/01/69/42/664016942.db2.gz XXSPZAJZVQYRAD-LLVKDONJSA-N 1 1 324.385 -1.318 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)c2nnn(C)n2)CC1 ZINC000948694645 664020141 /nfs/dbraw/zinc/02/01/41/664020141.db2.gz RUCMKHUVLLOBHZ-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO COC[C@H](C)[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000948634198 664020286 /nfs/dbraw/zinc/02/02/86/664020286.db2.gz QVIPGDOMLRTJGX-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO C[C@H](C(N)=O)N1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751507 664020852 /nfs/dbraw/zinc/02/08/52/664020852.db2.gz RIAXGOCWINXTDY-OLZOCXBDSA-N 1 1 322.413 -1.169 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000948958958 664025737 /nfs/dbraw/zinc/02/57/37/664025737.db2.gz YUTRCPBCULWKLQ-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)Cn1ncnn1)CCO2 ZINC000949091705 664027670 /nfs/dbraw/zinc/02/76/70/664027670.db2.gz CLFHQTNKCUOWIM-UHFFFAOYSA-N 1 1 323.357 -2.148 20 0 DAADMO CS(=O)(=O)CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949048394 664027734 /nfs/dbraw/zinc/02/77/34/664027734.db2.gz NJLZQQYVBRFYCJ-UHFFFAOYSA-N 1 1 320.411 -1.283 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC000949139780 664028639 /nfs/dbraw/zinc/02/86/39/664028639.db2.gz STPRUWPUWPBBSF-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cnnn1 ZINC000949143198 664029360 /nfs/dbraw/zinc/02/93/60/664029360.db2.gz IOGLEPSOWPNOPL-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[NH+]1CCC2(CC1)CN(C(=O)C1(C(N)=O)CC1)CCO2 ZINC000949174337 664030101 /nfs/dbraw/zinc/03/01/01/664030101.db2.gz QMRAVPNGMFGQBO-UHFFFAOYSA-N 1 1 324.381 -1.569 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)Cn1cnnn1 ZINC000949180390 664030376 /nfs/dbraw/zinc/03/03/76/664030376.db2.gz MGNGNDQWTNEOOE-GRYCIOLGSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238019 664031073 /nfs/dbraw/zinc/03/10/73/664031073.db2.gz FTQYWGDRXQCQSN-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cnc[nH]2)C1 ZINC000949238019 664031076 /nfs/dbraw/zinc/03/10/76/664031076.db2.gz FTQYWGDRXQCQSN-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240238 664031540 /nfs/dbraw/zinc/03/15/40/664031540.db2.gz ZYLPFBPBLSQDQD-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2cccn2)C1 ZINC000949240238 664031544 /nfs/dbraw/zinc/03/15/44/664031544.db2.gz ZYLPFBPBLSQDQD-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244226 664031758 /nfs/dbraw/zinc/03/17/58/664031758.db2.gz YIUAPSKEJNGWRK-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244226 664031763 /nfs/dbraw/zinc/03/17/63/664031763.db2.gz YIUAPSKEJNGWRK-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000949243868 664031924 /nfs/dbraw/zinc/03/19/24/664031924.db2.gz RPMZSNZIIHERQT-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000949243868 664031931 /nfs/dbraw/zinc/03/19/31/664031931.db2.gz RPMZSNZIIHERQT-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949239565 664032234 /nfs/dbraw/zinc/03/22/34/664032234.db2.gz SLYFXWFQYBDSOC-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949239565 664032242 /nfs/dbraw/zinc/03/22/42/664032242.db2.gz SLYFXWFQYBDSOC-QWRGUYRKSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949238887 664032318 /nfs/dbraw/zinc/03/23/18/664032318.db2.gz NQESAASCSULVAD-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949238887 664032325 /nfs/dbraw/zinc/03/23/25/664032325.db2.gz NQESAASCSULVAD-CMPLNLGQSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238775 664032343 /nfs/dbraw/zinc/03/23/43/664032343.db2.gz MJFCIYXPRNZCCF-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cc2cc[nH]n2)C1 ZINC000949238775 664032345 /nfs/dbraw/zinc/03/23/45/664032345.db2.gz MJFCIYXPRNZCCF-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000949306963 664032654 /nfs/dbraw/zinc/03/26/54/664032654.db2.gz VOSRLNAYTYORKM-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO O=C(Cn1nccn1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949379293 664033539 /nfs/dbraw/zinc/03/35/39/664033539.db2.gz WJLBSPFPKRPVGH-UHFFFAOYSA-N 1 1 309.370 -1.036 20 0 DAADMO NC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949381228 664034800 /nfs/dbraw/zinc/03/48/00/664034800.db2.gz QPDLILXUMIFZKZ-AVERBVTBSA-N 1 1 308.382 -1.521 20 0 DAADMO C[C@H](C(N)=O)N1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380450 664034868 /nfs/dbraw/zinc/03/48/68/664034868.db2.gz HCGUWGHHXQMORQ-ISGSLZAZSA-N 1 1 322.409 -1.132 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949512219 664037129 /nfs/dbraw/zinc/03/71/29/664037129.db2.gz RBOXDFSJVHJPOC-LBPRGKRZSA-N 1 1 311.382 -1.049 20 0 DAADMO CC[C@H](C[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1)OC ZINC000949642840 664039858 /nfs/dbraw/zinc/03/98/58/664039858.db2.gz IHSMAXVCJTVBPB-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000949947754 664048485 /nfs/dbraw/zinc/04/84/85/664048485.db2.gz JKMLOLNIZUQLCA-MNOVXSKESA-N 1 1 319.369 -1.409 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000949947757 664048612 /nfs/dbraw/zinc/04/86/12/664048612.db2.gz JKMLOLNIZUQLCA-WDEREUQCSA-N 1 1 319.369 -1.409 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CCn2cnnn2)C1 ZINC000950074440 664050944 /nfs/dbraw/zinc/05/09/44/664050944.db2.gz OZAPDTIFKOQOHP-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000950232132 664053102 /nfs/dbraw/zinc/05/31/02/664053102.db2.gz WFQSNVZEWSGTLJ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271494 664054201 /nfs/dbraw/zinc/05/42/01/664054201.db2.gz NPJPXAUNSDGFBN-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)c2nc[nH]n2)C1 ZINC000950271494 664054205 /nfs/dbraw/zinc/05/42/05/664054205.db2.gz NPJPXAUNSDGFBN-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263862 664054455 /nfs/dbraw/zinc/05/44/55/664054455.db2.gz FTFYGNNDEVCVDQ-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263862 664054459 /nfs/dbraw/zinc/05/44/59/664054459.db2.gz FTFYGNNDEVCVDQ-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271335 664054728 /nfs/dbraw/zinc/05/47/28/664054728.db2.gz KJJNXXTZVFDXCV-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC000950271335 664054734 /nfs/dbraw/zinc/05/47/34/664054734.db2.gz KJJNXXTZVFDXCV-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000950471004 664056663 /nfs/dbraw/zinc/05/66/63/664056663.db2.gz KYEWKRYKYCYBRL-UWVGGRQHSA-N 1 1 305.338 -1.037 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000950471003 664056699 /nfs/dbraw/zinc/05/66/99/664056699.db2.gz KYEWKRYKYCYBRL-NXEZZACHSA-N 1 1 305.338 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000950510487 664057778 /nfs/dbraw/zinc/05/77/78/664057778.db2.gz UISZEOFOAWFSGO-VXGBXAGGSA-N 1 1 322.413 -1.050 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000950545550 664058721 /nfs/dbraw/zinc/05/87/21/664058721.db2.gz KARWLCFMGVJDPL-XQQFMLRXSA-N 1 1 321.381 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)O1 ZINC000950782736 664063219 /nfs/dbraw/zinc/06/32/19/664063219.db2.gz IEJKXWFWWTYFKT-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)O1 ZINC000950782736 664063224 /nfs/dbraw/zinc/06/32/24/664063224.db2.gz IEJKXWFWWTYFKT-JFGNBEQYSA-N 1 1 322.369 -1.146 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000950862991 664063695 /nfs/dbraw/zinc/06/36/95/664063695.db2.gz OTVYWDGGIJIJRK-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1ncnn1 ZINC000950923297 664065660 /nfs/dbraw/zinc/06/56/60/664065660.db2.gz DMUOQYBDDYPKOD-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000950915113 664066005 /nfs/dbraw/zinc/06/60/05/664066005.db2.gz ZVHNDNLFLGMJHE-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632226233 664070805 /nfs/dbraw/zinc/07/08/05/664070805.db2.gz MSGAIKURTJBRMZ-LBPRGKRZSA-N 1 1 309.432 -1.449 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000951166241 664071819 /nfs/dbraw/zinc/07/18/19/664071819.db2.gz NCQWTUGEYVUMJT-NSHDSACASA-N 1 1 324.381 -1.123 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 ZINC000951165348 664071931 /nfs/dbraw/zinc/07/19/31/664071931.db2.gz DWQDBNGFEPTIAL-NSHDSACASA-N 1 1 320.353 -1.584 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000951620427 664087669 /nfs/dbraw/zinc/08/76/69/664087669.db2.gz INEMMAIUHYJMSQ-NXEZZACHSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000951620758 664088279 /nfs/dbraw/zinc/08/82/79/664088279.db2.gz OUJSEHRAZDJJAE-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000951623437 664088638 /nfs/dbraw/zinc/08/86/38/664088638.db2.gz YZLWWLHAJSMGKN-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CNC(=O)c1nnn(C)n1 ZINC000951623101 664089007 /nfs/dbraw/zinc/08/90/07/664089007.db2.gz QQBPETWILMLPPO-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)C(N)=O)C1 ZINC000951725151 664091977 /nfs/dbraw/zinc/09/19/77/664091977.db2.gz JDJAKNAJUKCMKE-WDEREUQCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000951725148 664092079 /nfs/dbraw/zinc/09/20/79/664092079.db2.gz JDJAKNAJUKCMKE-GHMZBOCLSA-N 1 1 312.370 -1.702 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2cnon2)C1 ZINC000951752469 664093109 /nfs/dbraw/zinc/09/31/09/664093109.db2.gz DZRZHGPAHAGPFH-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]2CNC(=O)c2cnon2)C1 ZINC000951752469 664093113 /nfs/dbraw/zinc/09/31/13/664093113.db2.gz DZRZHGPAHAGPFH-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCN([C@H]2CCNC2=O)CC1 ZINC000951754739 664093297 /nfs/dbraw/zinc/09/32/97/664093297.db2.gz UVOYZIVTLDBJLW-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO CNC(=O)[C@@H](C)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754413 664093808 /nfs/dbraw/zinc/09/38/08/664093808.db2.gz BZCOPPUTQUVBDV-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001006481587 664094967 /nfs/dbraw/zinc/09/49/67/664094967.db2.gz CBTVXIDAPXRNQT-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)C1CCC1 ZINC000951874573 664099650 /nfs/dbraw/zinc/09/96/50/664099650.db2.gz NRHRPUNBBSTQJL-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000951874498 664100231 /nfs/dbraw/zinc/10/02/31/664100231.db2.gz MYZJMMNCZAOFTO-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000951879243 664102883 /nfs/dbraw/zinc/10/28/83/664102883.db2.gz UGUOCHIABSNIEV-WDEREUQCSA-N 1 1 320.353 -1.410 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001006483304 664103921 /nfs/dbraw/zinc/10/39/21/664103921.db2.gz UUCGMFUAZXOPQP-NXEZZACHSA-N 1 1 324.381 -1.164 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)C2 ZINC000952152341 664107228 /nfs/dbraw/zinc/10/72/28/664107228.db2.gz FEHFRKLTHAQWCF-WDEREUQCSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952686363 664112372 /nfs/dbraw/zinc/11/23/72/664112372.db2.gz SXYHMGOXYJMWLP-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000952686363 664112379 /nfs/dbraw/zinc/11/23/79/664112379.db2.gz SXYHMGOXYJMWLP-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1 ZINC000953172111 664114627 /nfs/dbraw/zinc/11/46/27/664114627.db2.gz JCTJTZCAZPJUPY-IAQYHMDHSA-N 1 1 308.382 -1.126 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000953693210 664123051 /nfs/dbraw/zinc/12/30/51/664123051.db2.gz KVZYEQSKQBNAGE-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953692411 664123125 /nfs/dbraw/zinc/12/31/25/664123125.db2.gz QXKGLXAKFBMZAQ-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2cnnn2)C1 ZINC000953687918 664123357 /nfs/dbraw/zinc/12/33/57/664123357.db2.gz USLIPWADJWUEKI-JQWIXIFHSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC000953897906 664128304 /nfs/dbraw/zinc/12/83/04/664128304.db2.gz BWSBOYPJRURPIO-LLVKDONJSA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000953905461 664129459 /nfs/dbraw/zinc/12/94/59/664129459.db2.gz ZUVINMKNVVAHLY-VXGBXAGGSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953956282 664130154 /nfs/dbraw/zinc/13/01/54/664130154.db2.gz AMQSZWFTOKLWAQ-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000953956282 664130161 /nfs/dbraw/zinc/13/01/61/664130161.db2.gz AMQSZWFTOKLWAQ-LLVKDONJSA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953957621 664130254 /nfs/dbraw/zinc/13/02/54/664130254.db2.gz FCPLBZAOVWVYNL-GRYCIOLGSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000953957621 664130258 /nfs/dbraw/zinc/13/02/58/664130258.db2.gz FCPLBZAOVWVYNL-GRYCIOLGSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2ncn(C)n2)C1 ZINC000953958238 664130387 /nfs/dbraw/zinc/13/03/87/664130387.db2.gz RMRJDLAXGXSICO-NSHDSACASA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2ncn(C)n2)C1 ZINC000953958238 664130388 /nfs/dbraw/zinc/13/03/88/664130388.db2.gz RMRJDLAXGXSICO-NSHDSACASA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000953958489 664130733 /nfs/dbraw/zinc/13/07/33/664130733.db2.gz VQGMLMKYHFZZIH-JTQLQIEISA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000953958489 664130735 /nfs/dbraw/zinc/13/07/35/664130735.db2.gz VQGMLMKYHFZZIH-JTQLQIEISA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnnn2C)C1 ZINC000953958413 664131091 /nfs/dbraw/zinc/13/10/91/664131091.db2.gz VCJJIWHRBZTXLX-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnnn2C)C1 ZINC000953958413 664131093 /nfs/dbraw/zinc/13/10/93/664131093.db2.gz VCJJIWHRBZTXLX-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953959995 664131203 /nfs/dbraw/zinc/13/12/03/664131203.db2.gz WZDDFEBFLMBTGL-OCCSQVGLSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000953958494 664131257 /nfs/dbraw/zinc/13/12/57/664131257.db2.gz VQGMLMKYHFZZIH-SNVBAGLBSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC000953958494 664131265 /nfs/dbraw/zinc/13/12/65/664131265.db2.gz VQGMLMKYHFZZIH-SNVBAGLBSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954111543 664134646 /nfs/dbraw/zinc/13/46/46/664134646.db2.gz YTESXGYYILYQSN-JTQLQIEISA-N 1 1 322.369 -1.395 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954184842 664137131 /nfs/dbraw/zinc/13/71/31/664137131.db2.gz WONMBUUPJZISGH-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954184842 664137133 /nfs/dbraw/zinc/13/71/33/664137133.db2.gz WONMBUUPJZISGH-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954193535 664138719 /nfs/dbraw/zinc/13/87/19/664138719.db2.gz OHBOQDPKANJRMU-GXSJLCMTSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)c1ncn(C)n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954211916 664139910 /nfs/dbraw/zinc/13/99/10/664139910.db2.gz QXSXPYIRLHDUMT-NSHDSACASA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1ncn(C)n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954211916 664139912 /nfs/dbraw/zinc/13/99/12/664139912.db2.gz QXSXPYIRLHDUMT-NSHDSACASA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2nnc[nH]2)C1 ZINC000954319375 664142543 /nfs/dbraw/zinc/14/25/43/664142543.db2.gz JOZVMGBFTLVUAG-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000954319375 664142544 /nfs/dbraw/zinc/14/25/44/664142544.db2.gz JOZVMGBFTLVUAG-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000954319375 664142545 /nfs/dbraw/zinc/14/25/45/664142545.db2.gz JOZVMGBFTLVUAG-SNVBAGLBSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(C(N)=O)CC2)C1 ZINC000954318037 664142816 /nfs/dbraw/zinc/14/28/16/664142816.db2.gz QENYOMXVQNIWSS-JTQLQIEISA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cncn2)C1 ZINC000954319121 664142934 /nfs/dbraw/zinc/14/29/34/664142934.db2.gz HGHJOLREPPWOES-NSHDSACASA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954315528 664143054 /nfs/dbraw/zinc/14/30/54/664143054.db2.gz GTJBFSKPCGXAAN-KOLCDFICSA-N 1 1 309.370 -1.711 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2COCCN2C)C1 ZINC000954315827 664143236 /nfs/dbraw/zinc/14/32/36/664143236.db2.gz JQXMIESWTLCGTJ-JSGCOSHPSA-N 1 1 324.425 -1.062 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000954326489 664143879 /nfs/dbraw/zinc/14/38/79/664143879.db2.gz KRLZVJWEDPBECY-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000954328383 664143931 /nfs/dbraw/zinc/14/39/31/664143931.db2.gz CBUOUNUBXDVMMK-NEPJUHHUSA-N 1 1 319.365 -1.018 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954347792 664144336 /nfs/dbraw/zinc/14/43/36/664144336.db2.gz AKEMECLLUINWGK-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954347792 664144339 /nfs/dbraw/zinc/14/43/39/664144339.db2.gz AKEMECLLUINWGK-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954347525 664144626 /nfs/dbraw/zinc/14/46/26/664144626.db2.gz JLPHJTDLKLSEFZ-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000954348813 664144833 /nfs/dbraw/zinc/14/48/33/664144833.db2.gz FUTCCHRRBPMMHA-LLVKDONJSA-N 1 1 307.358 -1.564 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000954354265 664145919 /nfs/dbraw/zinc/14/59/19/664145919.db2.gz BYXDEJLRLWPOIK-ZYHUDNBSSA-N 1 1 321.385 -1.318 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000954407158 664147410 /nfs/dbraw/zinc/14/74/10/664147410.db2.gz DQSCEWZLBRTFOF-ZYHUDNBSSA-N 1 1 321.385 -1.318 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000954424880 664148193 /nfs/dbraw/zinc/14/81/93/664148193.db2.gz LUCWBXFZYNVDOD-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000954424880 664148200 /nfs/dbraw/zinc/14/82/00/664148200.db2.gz LUCWBXFZYNVDOD-GFCCVEGCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954706078 664154065 /nfs/dbraw/zinc/15/40/65/664154065.db2.gz IFPWKJIFRHYCMA-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000954721776 664154204 /nfs/dbraw/zinc/15/42/04/664154204.db2.gz AFJKHRGMIQYOBN-LLVKDONJSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000954721776 664154208 /nfs/dbraw/zinc/15/42/08/664154208.db2.gz AFJKHRGMIQYOBN-LLVKDONJSA-N 1 1 308.342 -1.582 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2nccn2)n1 ZINC001037015608 664154308 /nfs/dbraw/zinc/15/43/08/664154308.db2.gz CBESAZKTEHTJLV-MNOVXSKESA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954706079 664154525 /nfs/dbraw/zinc/15/45/25/664154525.db2.gz IFPWKJIFRHYCMA-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000954797402 664157106 /nfs/dbraw/zinc/15/71/06/664157106.db2.gz DEXYYJYPDHUOJB-NEPJUHHUSA-N 1 1 319.365 -1.018 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954794252 664157279 /nfs/dbraw/zinc/15/72/79/664157279.db2.gz CJZQNYLEKUCENE-NSHDSACASA-N 1 1 321.337 -1.031 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000954794251 664157403 /nfs/dbraw/zinc/15/74/03/664157403.db2.gz CJZQNYLEKUCENE-LLVKDONJSA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954910448 664159215 /nfs/dbraw/zinc/15/92/15/664159215.db2.gz ZYECOGCFUVFTGE-QMJNDHNRSA-N 1 1 322.365 -1.996 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954962157 664162763 /nfs/dbraw/zinc/16/27/63/664162763.db2.gz SPMCKCSCVPREQP-PWSUYJOCSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954965337 664164282 /nfs/dbraw/zinc/16/42/82/664164282.db2.gz LVSQTPZTZMHTDN-NEPJUHHUSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000954965338 664164785 /nfs/dbraw/zinc/16/47/85/664164785.db2.gz LVSQTPZTZMHTDN-RYUDHWBXSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955029185 664167221 /nfs/dbraw/zinc/16/72/21/664167221.db2.gz QSXHHNDPSIUELH-JTQLQIEISA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955029185 664167225 /nfs/dbraw/zinc/16/72/25/664167225.db2.gz QSXHHNDPSIUELH-JTQLQIEISA-N 1 1 323.357 -2.177 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955043381 664168460 /nfs/dbraw/zinc/16/84/60/664168460.db2.gz ZSVJOVQQCVOWQQ-RQJABVFESA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955043381 664168465 /nfs/dbraw/zinc/16/84/65/664168465.db2.gz ZSVJOVQQCVOWQQ-RQJABVFESA-N 1 1 323.393 -1.121 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000955154425 664174408 /nfs/dbraw/zinc/17/44/08/664174408.db2.gz VEPQJHZRTSVUBQ-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC000955153823 664174560 /nfs/dbraw/zinc/17/45/60/664174560.db2.gz OTYDQHADKXJZRO-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000955154639 664174994 /nfs/dbraw/zinc/17/49/94/664174994.db2.gz WYAIOTQPPGHITP-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000955154717 664175587 /nfs/dbraw/zinc/17/55/87/664175587.db2.gz DMXIGJGQBLWEOT-GFCCVEGCSA-N 1 1 323.397 -1.179 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)CC2 ZINC000955158330 664176072 /nfs/dbraw/zinc/17/60/72/664176072.db2.gz MTIUNCHTZUFDTH-SNVBAGLBSA-N 1 1 319.365 -1.092 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000955159637 664176538 /nfs/dbraw/zinc/17/65/38/664176538.db2.gz FKXPAKBHUSGUCF-UQACVICXSA-N 1 1 322.365 -1.996 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000955159390 664176723 /nfs/dbraw/zinc/17/67/23/664176723.db2.gz DFDFYXBCWIHYGQ-SNVBAGLBSA-N 1 1 305.338 -1.085 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000955162325 664178191 /nfs/dbraw/zinc/17/81/91/664178191.db2.gz VATJOEBSCJIIET-LLVKDONJSA-N 1 1 322.369 -2.032 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000955340554 664181778 /nfs/dbraw/zinc/18/17/78/664181778.db2.gz PDEUJBHTIUJIEZ-NSHDSACASA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000955347155 664182502 /nfs/dbraw/zinc/18/25/02/664182502.db2.gz MJUOLWSJIPWJPP-PWSUYJOCSA-N 1 1 321.385 -1.460 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955376871 664183691 /nfs/dbraw/zinc/18/36/91/664183691.db2.gz CBARUDIHMQUQCL-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955376871 664183694 /nfs/dbraw/zinc/18/36/94/664183694.db2.gz CBARUDIHMQUQCL-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955378153 664183864 /nfs/dbraw/zinc/18/38/64/664183864.db2.gz RGCVYGOXWCCBON-LLVKDONJSA-N 1 1 306.370 -1.101 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000955386591 664184532 /nfs/dbraw/zinc/18/45/32/664184532.db2.gz FXNVKZFMXJZOBH-NSHDSACASA-N 1 1 322.369 -1.653 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000955386591 664184535 /nfs/dbraw/zinc/18/45/35/664184535.db2.gz FXNVKZFMXJZOBH-NSHDSACASA-N 1 1 322.369 -1.653 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955388453 664184986 /nfs/dbraw/zinc/18/49/86/664184986.db2.gz QAMUCWPCTXQSHY-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000955388453 664184989 /nfs/dbraw/zinc/18/49/89/664184989.db2.gz QAMUCWPCTXQSHY-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955388453 664184995 /nfs/dbraw/zinc/18/49/95/664184995.db2.gz QAMUCWPCTXQSHY-JTQLQIEISA-N 1 1 306.370 -1.032 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000956019834 664192732 /nfs/dbraw/zinc/19/27/32/664192732.db2.gz MYPAWXWFYFYECA-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC000956026675 664193409 /nfs/dbraw/zinc/19/34/09/664193409.db2.gz ZMIYFTOJPJWPKH-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]n2)n1 ZINC001037113738 664198547 /nfs/dbraw/zinc/19/85/47/664198547.db2.gz ZENBQAUOLOKCKL-UWVGGRQHSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC001037112515 664198566 /nfs/dbraw/zinc/19/85/66/664198566.db2.gz PIUYJLQUZUGHMG-ZJUUUORDSA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cc2nc[nH]n2)n1 ZINC001037113740 664198642 /nfs/dbraw/zinc/19/86/42/664198642.db2.gz ZENBQAUOLOKCKL-VHSXEESVSA-N 1 1 319.373 -1.055 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2ncnn2)C1 ZINC000956775519 664201200 /nfs/dbraw/zinc/20/12/00/664201200.db2.gz JVMDRYHRNGKFBH-SMDDNHRTSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)Cn2cnnn2)C1 ZINC000956771929 664201271 /nfs/dbraw/zinc/20/12/71/664201271.db2.gz DDZBFVOLHBKBLI-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2ncnn2)C1 ZINC000956775516 664201545 /nfs/dbraw/zinc/20/15/45/664201545.db2.gz JVMDRYHRNGKFBH-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000956946377 664204431 /nfs/dbraw/zinc/20/44/31/664204431.db2.gz ICASVRJMAWTIEN-FZMZJTMJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)no1 ZINC000957171721 664206207 /nfs/dbraw/zinc/20/62/07/664206207.db2.gz DUPXUUUQDHVXPC-CQSZACIVSA-N 1 1 323.353 -1.058 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000957342444 664210352 /nfs/dbraw/zinc/21/03/52/664210352.db2.gz VTIHFUMDCQACRU-YGRLFVJLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000957342442 664210668 /nfs/dbraw/zinc/21/06/68/664210668.db2.gz VTIHFUMDCQACRU-IINYFYTJSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1[nH]c(CN2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1=O ZINC000957646334 664216201 /nfs/dbraw/zinc/21/62/01/664216201.db2.gz CLJOOAILWHMQIC-NSHDSACASA-N 1 1 308.386 -1.296 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000957720742 664217108 /nfs/dbraw/zinc/21/71/08/664217108.db2.gz KDHVUJOUIKTZER-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3nnn(C)n3)CC2)C1 ZINC000957720742 664217114 /nfs/dbraw/zinc/21/71/14/664217114.db2.gz KDHVUJOUIKTZER-LBPRGKRZSA-N 1 1 323.401 -1.425 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC000957788032 664217862 /nfs/dbraw/zinc/21/78/62/664217862.db2.gz JGTACWDWERTMHD-ZYHUDNBSSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1O ZINC000957788032 664217865 /nfs/dbraw/zinc/21/78/65/664217865.db2.gz JGTACWDWERTMHD-ZYHUDNBSSA-N 1 1 305.338 -1.049 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785257 664217965 /nfs/dbraw/zinc/21/79/65/664217965.db2.gz VGYBYTOYMMHPTA-RYUDHWBXSA-N 1 1 324.381 -2.236 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC000957785257 664217968 /nfs/dbraw/zinc/21/79/68/664217968.db2.gz VGYBYTOYMMHPTA-RYUDHWBXSA-N 1 1 324.381 -2.236 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC000957788031 664218025 /nfs/dbraw/zinc/21/80/25/664218025.db2.gz JGTACWDWERTMHD-PWSUYJOCSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC000957788031 664218028 /nfs/dbraw/zinc/21/80/28/664218028.db2.gz JGTACWDWERTMHD-PWSUYJOCSA-N 1 1 305.338 -1.049 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957776492 664218060 /nfs/dbraw/zinc/21/80/60/664218060.db2.gz JGQUOEFAGWUEFT-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000957778426 664218189 /nfs/dbraw/zinc/21/81/89/664218189.db2.gz SVBJLZFPMVPSOG-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785737 664218222 /nfs/dbraw/zinc/21/82/22/664218222.db2.gz YVJUENWKDOSQCY-QWHCGFSZSA-N 1 1 311.382 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1)N1CCOCC1 ZINC000957785737 664218224 /nfs/dbraw/zinc/21/82/24/664218224.db2.gz YVJUENWKDOSQCY-QWHCGFSZSA-N 1 1 311.382 -1.336 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CCOCC2)C1 ZINC000957792590 664219052 /nfs/dbraw/zinc/21/90/52/664219052.db2.gz CUVYJZPWGCAMID-OLZOCXBDSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CCOCC2)C1 ZINC000957792590 664219055 /nfs/dbraw/zinc/21/90/55/664219055.db2.gz CUVYJZPWGCAMID-OLZOCXBDSA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC000957799187 664219230 /nfs/dbraw/zinc/21/92/30/664219230.db2.gz WJWBCSXVHOTBKX-NWDGAFQWSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000957837164 664219532 /nfs/dbraw/zinc/21/95/32/664219532.db2.gz FFZNNSDRDZYRJB-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957833356 664219540 /nfs/dbraw/zinc/21/95/40/664219540.db2.gz AOOYVHRXOHNXLY-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000957833356 664219545 /nfs/dbraw/zinc/21/95/45/664219545.db2.gz AOOYVHRXOHNXLY-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835632 664219798 /nfs/dbraw/zinc/21/97/98/664219798.db2.gz ZPDWBWITUNGRNR-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1)NC1CC1 ZINC000957835632 664219801 /nfs/dbraw/zinc/21/98/01/664219801.db2.gz ZPDWBWITUNGRNR-GXFFZTMASA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cn1 ZINC000957838455 664220426 /nfs/dbraw/zinc/22/04/26/664220426.db2.gz ODYGOKGGJMYSNM-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cn1 ZINC000957838455 664220428 /nfs/dbraw/zinc/22/04/28/664220428.db2.gz ODYGOKGGJMYSNM-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848204 664220818 /nfs/dbraw/zinc/22/08/18/664220818.db2.gz XOZIEBJJLLEWJV-WPRPVWTQSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848204 664220823 /nfs/dbraw/zinc/22/08/23/664220823.db2.gz XOZIEBJJLLEWJV-WPRPVWTQSA-N 1 1 309.326 -2.049 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842448 664220844 /nfs/dbraw/zinc/22/08/44/664220844.db2.gz MTUJGZYVPHGMPO-OLZOCXBDSA-N 1 1 322.365 -1.569 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842448 664220846 /nfs/dbraw/zinc/22/08/46/664220846.db2.gz MTUJGZYVPHGMPO-OLZOCXBDSA-N 1 1 322.365 -1.569 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]n1 ZINC000957884077 664221187 /nfs/dbraw/zinc/22/11/87/664221187.db2.gz ZBKNJNGIBVVKOP-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)[nH]n1 ZINC000957884077 664221193 /nfs/dbraw/zinc/22/11/93/664221193.db2.gz ZBKNJNGIBVVKOP-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)cn1 ZINC000957855832 664221551 /nfs/dbraw/zinc/22/15/51/664221551.db2.gz SUIUOQJAWYTWTI-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)cn1 ZINC000957855832 664221553 /nfs/dbraw/zinc/22/15/53/664221553.db2.gz SUIUOQJAWYTWTI-ZWNOBZJWSA-N 1 1 321.381 -1.279 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894144 664222274 /nfs/dbraw/zinc/22/22/74/664222274.db2.gz HWSSOVAGHVUZTP-JOYOIKCWSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)NC1CC1 ZINC000957894144 664222276 /nfs/dbraw/zinc/22/22/76/664222276.db2.gz HWSSOVAGHVUZTP-JOYOIKCWSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]c1 ZINC000957890059 664222373 /nfs/dbraw/zinc/22/23/73/664222373.db2.gz IIAQMDQUWHPESX-NWDGAFQWSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC000957893925 664222666 /nfs/dbraw/zinc/22/26/66/664222666.db2.gz GIPNYPOFHURPHD-PWSUYJOCSA-N 1 1 322.369 -1.543 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 ZINC000957889839 664222744 /nfs/dbraw/zinc/22/27/44/664222744.db2.gz DUEZSJDYJDHQQJ-SCZZXKLOSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnsn2)C1 ZINC000957889839 664222746 /nfs/dbraw/zinc/22/27/46/664222746.db2.gz DUEZSJDYJDHQQJ-SCZZXKLOSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1)NC1CC1 ZINC000957894142 664222755 /nfs/dbraw/zinc/22/27/55/664222755.db2.gz HWSSOVAGHVUZTP-BXKDBHETSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1)NC1CC1 ZINC000957894142 664222759 /nfs/dbraw/zinc/22/27/59/664222759.db2.gz HWSSOVAGHVUZTP-BXKDBHETSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnns1 ZINC000957886838 664222772 /nfs/dbraw/zinc/22/27/72/664222772.db2.gz OVLGXHJAZPQZEL-VHSXEESVSA-N 1 1 323.382 -1.148 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957905643 664224403 /nfs/dbraw/zinc/22/44/03/664224403.db2.gz LOQQGMNEBXGAOL-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000957905643 664224407 /nfs/dbraw/zinc/22/44/07/664224407.db2.gz LOQQGMNEBXGAOL-DGCLKSJQSA-N 1 1 321.381 -1.104 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 ZINC000957902386 664224698 /nfs/dbraw/zinc/22/46/98/664224698.db2.gz QKKYJAWRNAFNNJ-BDAKNGLRSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnns2)C1 ZINC000957902386 664224700 /nfs/dbraw/zinc/22/47/00/664224700.db2.gz QKKYJAWRNAFNNJ-BDAKNGLRSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnsn1 ZINC000957902584 664224748 /nfs/dbraw/zinc/22/47/48/664224748.db2.gz SVCWEGAQXQIZDA-ONGXEEELSA-N 1 1 323.382 -1.148 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnn2C)[C@H](O)C1 ZINC000957905137 664224757 /nfs/dbraw/zinc/22/47/57/664224757.db2.gz DKPCOYFKBMRYQV-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnn2C)[C@H](O)C1 ZINC000957905137 664224759 /nfs/dbraw/zinc/22/47/59/664224759.db2.gz DKPCOYFKBMRYQV-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnsn1 ZINC000957902583 664224918 /nfs/dbraw/zinc/22/49/18/664224918.db2.gz SVCWEGAQXQIZDA-MWLCHTKSSA-N 1 1 323.382 -1.148 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918418 664225119 /nfs/dbraw/zinc/22/51/19/664225119.db2.gz GSUSWXZTDBWXEE-WDEREUQCSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918418 664225124 /nfs/dbraw/zinc/22/51/24/664225124.db2.gz GSUSWXZTDBWXEE-WDEREUQCSA-N 1 1 310.329 -1.011 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC000957915050 664225350 /nfs/dbraw/zinc/22/53/50/664225350.db2.gz QDMMHHMRJKUEOF-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)nn1C ZINC000957915050 664225352 /nfs/dbraw/zinc/22/53/52/664225352.db2.gz QDMMHHMRJKUEOF-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000957913542 664225415 /nfs/dbraw/zinc/22/54/15/664225415.db2.gz AOVDZCVTSRYJQC-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n(C)n1 ZINC000957913542 664225418 /nfs/dbraw/zinc/22/54/18/664225418.db2.gz AOVDZCVTSRYJQC-WCQYABFASA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923102 664225666 /nfs/dbraw/zinc/22/56/66/664225666.db2.gz UCYAAUDAXHSYRJ-QWRGUYRKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(F)c2)C1 ZINC000957923102 664225668 /nfs/dbraw/zinc/22/56/68/664225668.db2.gz UCYAAUDAXHSYRJ-QWRGUYRKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC000957936771 664226140 /nfs/dbraw/zinc/22/61/40/664226140.db2.gz ZONUIYXJTADNAJ-MWLCHTKSSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC000957936771 664226142 /nfs/dbraw/zinc/22/61/42/664226142.db2.gz ZONUIYXJTADNAJ-MWLCHTKSSA-N 1 1 308.338 -1.444 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957939024 664226469 /nfs/dbraw/zinc/22/64/69/664226469.db2.gz FYFMTPQAAWTUKB-VHSXEESVSA-N 1 1 322.369 -1.831 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957939024 664226473 /nfs/dbraw/zinc/22/64/73/664226473.db2.gz FYFMTPQAAWTUKB-VHSXEESVSA-N 1 1 322.369 -1.831 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957938795 664226549 /nfs/dbraw/zinc/22/65/49/664226549.db2.gz BCKIOHJVCHYCCI-BDAKNGLRSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957938795 664226552 /nfs/dbraw/zinc/22/65/52/664226552.db2.gz BCKIOHJVCHYCCI-BDAKNGLRSA-N 1 1 308.342 -2.173 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939734 664226635 /nfs/dbraw/zinc/22/66/35/664226635.db2.gz LZZPVOZWAKVELL-CMPLNLGQSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC000957939734 664226639 /nfs/dbraw/zinc/22/66/39/664226639.db2.gz LZZPVOZWAKVELL-CMPLNLGQSA-N 1 1 322.365 -1.102 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957938798 664226723 /nfs/dbraw/zinc/22/67/23/664226723.db2.gz BCKIOHJVCHYCCI-RKDXNWHRSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957938798 664226726 /nfs/dbraw/zinc/22/67/26/664226726.db2.gz BCKIOHJVCHYCCI-RKDXNWHRSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958191 664227226 /nfs/dbraw/zinc/22/72/26/664227226.db2.gz UWEUPQPYSKFGDI-MNOVXSKESA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958191 664227227 /nfs/dbraw/zinc/22/72/27/664227227.db2.gz UWEUPQPYSKFGDI-MNOVXSKESA-N 1 1 308.338 -1.444 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC000957983017 664228501 /nfs/dbraw/zinc/22/85/01/664228501.db2.gz PQNABMGJNCBRSO-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)cn2)[C@H](O)C1 ZINC000957983017 664228504 /nfs/dbraw/zinc/22/85/04/664228504.db2.gz PQNABMGJNCBRSO-ZYHUDNBSSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985146 664228683 /nfs/dbraw/zinc/22/86/83/664228683.db2.gz DXXTWIICVKZBRN-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)ncn2)C1 ZINC000957985146 664228685 /nfs/dbraw/zinc/22/86/85/664228685.db2.gz DXXTWIICVKZBRN-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991570 664228919 /nfs/dbraw/zinc/22/89/19/664228919.db2.gz SZEOKJHRIFRLQW-KGLIPLIRSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991570 664228920 /nfs/dbraw/zinc/22/89/20/664228920.db2.gz SZEOKJHRIFRLQW-KGLIPLIRSA-N 1 1 323.393 -1.026 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990439 664229529 /nfs/dbraw/zinc/22/95/29/664229529.db2.gz MVSWQZXSRXWRME-QWHCGFSZSA-N 1 1 311.382 -1.170 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC000957990439 664229532 /nfs/dbraw/zinc/22/95/32/664229532.db2.gz MVSWQZXSRXWRME-QWHCGFSZSA-N 1 1 311.382 -1.170 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997204 664229543 /nfs/dbraw/zinc/22/95/43/664229543.db2.gz WUZCUSGMDNWBRX-WPRPVWTQSA-N 1 1 310.358 -2.229 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957997204 664229545 /nfs/dbraw/zinc/22/95/45/664229545.db2.gz WUZCUSGMDNWBRX-WPRPVWTQSA-N 1 1 310.358 -2.229 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC000957990890 664229565 /nfs/dbraw/zinc/22/95/65/664229565.db2.gz PFVXFLVTHFDKGG-STQMWFEESA-N 1 1 317.353 -1.209 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958011316 664229960 /nfs/dbraw/zinc/22/99/60/664229960.db2.gz WIGLFRHEJAGQTQ-NEPJUHHUSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958011316 664229962 /nfs/dbraw/zinc/22/99/62/664229962.db2.gz WIGLFRHEJAGQTQ-NEPJUHHUSA-N 1 1 321.381 -1.104 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000958000091 664230050 /nfs/dbraw/zinc/23/00/50/664230050.db2.gz SGVRCYNHNJZWPH-NWDGAFQWSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000958000091 664230057 /nfs/dbraw/zinc/23/00/57/664230057.db2.gz SGVRCYNHNJZWPH-NWDGAFQWSA-N 1 1 307.354 -1.413 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1)NC1CC1 ZINC000958000015 664230246 /nfs/dbraw/zinc/23/02/46/664230246.db2.gz RKNKHMJXOMNEGB-DGCLKSJQSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1)NC1CC1 ZINC000958000015 664230250 /nfs/dbraw/zinc/23/02/50/664230250.db2.gz RKNKHMJXOMNEGB-DGCLKSJQSA-N 1 1 319.365 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001098 664230309 /nfs/dbraw/zinc/23/03/09/664230309.db2.gz YXWWXJXTTFZDND-BDAKNGLRSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000958001098 664230312 /nfs/dbraw/zinc/23/03/12/664230312.db2.gz YXWWXJXTTFZDND-BDAKNGLRSA-N 1 1 312.326 -2.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010863 664230619 /nfs/dbraw/zinc/23/06/19/664230619.db2.gz PJDSWNKKDUJNAY-WDEREUQCSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccc(C)n2)C1 ZINC000958010863 664230621 /nfs/dbraw/zinc/23/06/21/664230621.db2.gz PJDSWNKKDUJNAY-WDEREUQCSA-N 1 1 307.354 -1.446 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1 ZINC000958010307 664230627 /nfs/dbraw/zinc/23/06/27/664230627.db2.gz KLGVOJBFFXZODE-OLZOCXBDSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1 ZINC000958010307 664230629 /nfs/dbraw/zinc/23/06/29/664230629.db2.gz KLGVOJBFFXZODE-OLZOCXBDSA-N 1 1 321.381 -1.104 20 0 DAADMO CCn1nccc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958004637 664230689 /nfs/dbraw/zinc/23/06/89/664230689.db2.gz HIBSKLPGWUKAPU-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958004637 664230690 /nfs/dbraw/zinc/23/06/90/664230690.db2.gz HIBSKLPGWUKAPU-JQWIXIFHSA-N 1 1 309.370 -1.329 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC000958020751 664231060 /nfs/dbraw/zinc/23/10/60/664231060.db2.gz UBHHAGQQFMESIN-RYUDHWBXSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC000958020751 664231062 /nfs/dbraw/zinc/23/10/62/664231062.db2.gz UBHHAGQQFMESIN-RYUDHWBXSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958020414 664231262 /nfs/dbraw/zinc/23/12/62/664231262.db2.gz OVJKDSNPSQREQA-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958020414 664231263 /nfs/dbraw/zinc/23/12/63/664231263.db2.gz OVJKDSNPSQREQA-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)c3ncn(C)n3)C2)cn1 ZINC000958020749 664231280 /nfs/dbraw/zinc/23/12/80/664231280.db2.gz UBHHAGQQFMESIN-NEPJUHHUSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@H](CNC(=O)c3ncn(C)n3)C2)cn1 ZINC000958020749 664231281 /nfs/dbraw/zinc/23/12/81/664231281.db2.gz UBHHAGQQFMESIN-NEPJUHHUSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958019977 664231396 /nfs/dbraw/zinc/23/13/96/664231396.db2.gz IKTYQSLNHAQXHB-GHMZBOCLSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958019977 664231401 /nfs/dbraw/zinc/23/14/01/664231401.db2.gz IKTYQSLNHAQXHB-GHMZBOCLSA-N 1 1 322.369 -1.930 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958025297 664231819 /nfs/dbraw/zinc/23/18/19/664231819.db2.gz QIAFVRXSCDUTDZ-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958025297 664231822 /nfs/dbraw/zinc/23/18/22/664231822.db2.gz QIAFVRXSCDUTDZ-PWSUYJOCSA-N 1 1 324.385 -1.591 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC000958035160 664231854 /nfs/dbraw/zinc/23/18/54/664231854.db2.gz AEYSOTMVPNTMDX-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958025295 664232031 /nfs/dbraw/zinc/23/20/31/664232031.db2.gz QIAFVRXSCDUTDZ-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958025295 664232032 /nfs/dbraw/zinc/23/20/32/664232032.db2.gz QIAFVRXSCDUTDZ-CMPLNLGQSA-N 1 1 324.385 -1.591 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC000958035159 664232160 /nfs/dbraw/zinc/23/21/60/664232160.db2.gz AEYSOTMVPNTMDX-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036586 664232492 /nfs/dbraw/zinc/23/24/92/664232492.db2.gz RGGAGHBGOHQRQL-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958036586 664232497 /nfs/dbraw/zinc/23/24/97/664232497.db2.gz RGGAGHBGOHQRQL-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC000958035887 664232543 /nfs/dbraw/zinc/23/25/43/664232543.db2.gz KPPAQXGFGHSBJJ-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC000958035887 664232549 /nfs/dbraw/zinc/23/25/49/664232549.db2.gz KPPAQXGFGHSBJJ-JQWIXIFHSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC000958035888 664233322 /nfs/dbraw/zinc/23/33/22/664233322.db2.gz KPPAQXGFGHSBJJ-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)nn1 ZINC000958035888 664233326 /nfs/dbraw/zinc/23/33/26/664233326.db2.gz KPPAQXGFGHSBJJ-PWSUYJOCSA-N 1 1 322.369 -1.930 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958041327 664233861 /nfs/dbraw/zinc/23/38/61/664233861.db2.gz LJYLRVKTQNYRHE-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958041327 664233870 /nfs/dbraw/zinc/23/38/70/664233870.db2.gz LJYLRVKTQNYRHE-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC000958051492 664234519 /nfs/dbraw/zinc/23/45/19/664234519.db2.gz PRARYFSPDSNCGW-MNOVXSKESA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncc[nH]1 ZINC000958056322 664234542 /nfs/dbraw/zinc/23/45/42/664234542.db2.gz NGUJGBHUMZSVMU-MNOVXSKESA-N 1 1 305.342 -1.276 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958061376 664234696 /nfs/dbraw/zinc/23/46/96/664234696.db2.gz AUQPMEHTKFUGAN-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958061376 664234698 /nfs/dbraw/zinc/23/46/98/664234698.db2.gz AUQPMEHTKFUGAN-AAEUAGOBSA-N 1 1 321.381 -1.104 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)nn1 ZINC000958061414 664234829 /nfs/dbraw/zinc/23/48/29/664234829.db2.gz BENVSLUBKAENSB-PWSUYJOCSA-N 1 1 315.349 -1.084 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)nn1 ZINC000958061414 664234831 /nfs/dbraw/zinc/23/48/31/664234831.db2.gz BENVSLUBKAENSB-PWSUYJOCSA-N 1 1 315.349 -1.084 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958062234 664234855 /nfs/dbraw/zinc/23/48/55/664234855.db2.gz FNGNEWULAIDBJM-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958062234 664234859 /nfs/dbraw/zinc/23/48/59/664234859.db2.gz FNGNEWULAIDBJM-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064988 664234868 /nfs/dbraw/zinc/23/48/68/664234868.db2.gz XQJFXLGTIVGKRT-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064988 664234872 /nfs/dbraw/zinc/23/48/72/664234872.db2.gz XQJFXLGTIVGKRT-MNOVXSKESA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958061379 664234952 /nfs/dbraw/zinc/23/49/52/664234952.db2.gz AUQPMEHTKFUGAN-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958061379 664234959 /nfs/dbraw/zinc/23/49/59/664234959.db2.gz AUQPMEHTKFUGAN-YPMHNXCESA-N 1 1 321.381 -1.104 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050746 664235177 /nfs/dbraw/zinc/23/51/77/664235177.db2.gz DLQIBXVXITYQPD-GXSJLCMTSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)NC1CC1 ZINC000958050746 664235180 /nfs/dbraw/zinc/23/51/80/664235180.db2.gz DLQIBXVXITYQPD-GXSJLCMTSA-N 1 1 307.354 -1.289 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)nn1 ZINC000958061412 664235383 /nfs/dbraw/zinc/23/53/83/664235383.db2.gz BENVSLUBKAENSB-CMPLNLGQSA-N 1 1 315.349 -1.084 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)nn1 ZINC000958061412 664235387 /nfs/dbraw/zinc/23/53/87/664235387.db2.gz BENVSLUBKAENSB-CMPLNLGQSA-N 1 1 315.349 -1.084 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062167 664235429 /nfs/dbraw/zinc/23/54/29/664235429.db2.gz DOUVDQBIYKKUDI-ONGXEEELSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062167 664235432 /nfs/dbraw/zinc/23/54/32/664235432.db2.gz DOUVDQBIYKKUDI-ONGXEEELSA-N 1 1 305.342 -1.239 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958065129 664235553 /nfs/dbraw/zinc/23/55/53/664235553.db2.gz YNHZMAVWSKANLB-PWSUYJOCSA-N 1 1 313.358 -2.061 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nn1 ZINC000958065130 664235690 /nfs/dbraw/zinc/23/56/90/664235690.db2.gz YNHZMAVWSKANLB-ZYHUDNBSSA-N 1 1 313.358 -2.061 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC000958078125 664235778 /nfs/dbraw/zinc/23/57/78/664235778.db2.gz ZPZZCYWXJWMJEY-ZYHUDNBSSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn3c(n2)CCC3)[C@H](O)C1 ZINC000958078125 664235779 /nfs/dbraw/zinc/23/57/79/664235779.db2.gz ZPZZCYWXJWMJEY-ZYHUDNBSSA-N 1 1 321.381 -1.402 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958069973 664235878 /nfs/dbraw/zinc/23/58/78/664235878.db2.gz TTZJXMOSJVUPSF-JQWIXIFHSA-N 1 1 309.370 -1.443 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958069532 664235999 /nfs/dbraw/zinc/23/59/99/664235999.db2.gz NZEXNKLBYQVMSY-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958069532 664236003 /nfs/dbraw/zinc/23/60/03/664236003.db2.gz NZEXNKLBYQVMSY-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958069975 664236304 /nfs/dbraw/zinc/23/63/04/664236304.db2.gz TTZJXMOSJVUPSF-ZYHUDNBSSA-N 1 1 309.370 -1.443 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cncc2[nH]cnc21 ZINC000958082025 664236360 /nfs/dbraw/zinc/23/63/60/664236360.db2.gz UPQHIADTXDMCCO-SKDRFNHKSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc3[nH]cnc32)[C@H](O)C1 ZINC000958100517 664236895 /nfs/dbraw/zinc/23/68/95/664236895.db2.gz CAZQLUUFWCBBPK-PSASIEDQSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc3[nH]cnc32)[C@H](O)C1 ZINC000958100517 664236897 /nfs/dbraw/zinc/23/68/97/664236897.db2.gz CAZQLUUFWCBBPK-PSASIEDQSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(F)cncc2F)[C@H](O)C1 ZINC000958101173 664236973 /nfs/dbraw/zinc/23/69/73/664236973.db2.gz NSDNINOJEAUUKW-GMSGAONNSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(F)cncc2F)[C@H](O)C1 ZINC000958101173 664236975 /nfs/dbraw/zinc/23/69/75/664236975.db2.gz NSDNINOJEAUUKW-GMSGAONNSA-N 1 1 314.292 -1.132 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2[nH]cnc2c1 ZINC000958106730 664237659 /nfs/dbraw/zinc/23/76/59/664237659.db2.gz XBJWLYHEUBWSON-PWSUYJOCSA-N 1 1 305.338 -1.027 20 0 DAADMO CCCn1nccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958105187 664237693 /nfs/dbraw/zinc/23/76/93/664237693.db2.gz FNTXVQWZGKFRPZ-CMPLNLGQSA-N 1 1 309.370 -1.199 20 0 DAADMO CCCn1nccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958105187 664237695 /nfs/dbraw/zinc/23/76/95/664237695.db2.gz FNTXVQWZGKFRPZ-CMPLNLGQSA-N 1 1 309.370 -1.199 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105804 664237701 /nfs/dbraw/zinc/23/77/01/664237701.db2.gz MAUAKVBNBSCILR-KOLCDFICSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105804 664237703 /nfs/dbraw/zinc/23/77/03/664237703.db2.gz MAUAKVBNBSCILR-KOLCDFICSA-N 1 1 318.337 -1.534 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2[nH]cnc2c1 ZINC000958106728 664237884 /nfs/dbraw/zinc/23/78/84/664237884.db2.gz XBJWLYHEUBWSON-CMPLNLGQSA-N 1 1 305.338 -1.027 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C2CC2)n1 ZINC000958101531 664237955 /nfs/dbraw/zinc/23/79/55/664237955.db2.gz SMVURMKETSVKOT-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C2CC2)n1 ZINC000958101531 664237957 /nfs/dbraw/zinc/23/79/57/664237957.db2.gz SMVURMKETSVKOT-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958111239 664238014 /nfs/dbraw/zinc/23/80/14/664238014.db2.gz MZIUCKCZASDMQY-RYUDHWBXSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958111239 664238015 /nfs/dbraw/zinc/23/80/15/664238015.db2.gz MZIUCKCZASDMQY-RYUDHWBXSA-N 1 1 322.365 -1.012 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958120938 664238068 /nfs/dbraw/zinc/23/80/68/664238068.db2.gz CGWWZIGTMAFGML-GXSJLCMTSA-N 1 1 323.353 -1.699 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958120938 664238069 /nfs/dbraw/zinc/23/80/69/664238069.db2.gz CGWWZIGTMAFGML-GXSJLCMTSA-N 1 1 323.353 -1.699 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122278 664238274 /nfs/dbraw/zinc/23/82/74/664238274.db2.gz SVSVPRRTPFQIRU-CABZTGNLSA-N 1 1 320.353 -1.242 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958135645 664238396 /nfs/dbraw/zinc/23/83/96/664238396.db2.gz QHXCXSROOWVKSS-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958135645 664238398 /nfs/dbraw/zinc/23/83/98/664238398.db2.gz QHXCXSROOWVKSS-MNOVXSKESA-N 1 1 324.385 -1.625 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958134461 664238721 /nfs/dbraw/zinc/23/87/21/664238721.db2.gz DLLRMSMBKJMCOX-PSASIEDQSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958134461 664238724 /nfs/dbraw/zinc/23/87/24/664238724.db2.gz DLLRMSMBKJMCOX-PSASIEDQSA-N 1 1 309.326 -2.217 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccnc3ccnn32)[C@H](O)C1 ZINC000958134727 664238781 /nfs/dbraw/zinc/23/87/81/664238781.db2.gz HOFSHYVGEXCENW-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccnc3ccnn32)[C@H](O)C1 ZINC000958134727 664238785 /nfs/dbraw/zinc/23/87/85/664238785.db2.gz HOFSHYVGEXCENW-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2ccnn21 ZINC000958134080 664238844 /nfs/dbraw/zinc/23/88/44/664238844.db2.gz AWSONYRWJAHUSH-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2n[nH]nc2n1 ZINC000958122279 664238854 /nfs/dbraw/zinc/23/88/54/664238854.db2.gz SVSVPRRTPFQIRU-JOYOIKCWSA-N 1 1 320.353 -1.242 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126963 664238909 /nfs/dbraw/zinc/23/89/09/664238909.db2.gz UPAWLGOCPDXUMB-MFKMUULPSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3n(n2)CCC3)C1 ZINC000958126963 664238911 /nfs/dbraw/zinc/23/89/11/664238911.db2.gz UPAWLGOCPDXUMB-MFKMUULPSA-N 1 1 321.381 -1.402 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958135647 664238938 /nfs/dbraw/zinc/23/89/38/664238938.db2.gz QHXCXSROOWVKSS-WDEREUQCSA-N 1 1 324.385 -1.625 20 0 DAADMO CCn1nnc(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958135647 664238939 /nfs/dbraw/zinc/23/89/39/664238939.db2.gz QHXCXSROOWVKSS-WDEREUQCSA-N 1 1 324.385 -1.625 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145283 664239562 /nfs/dbraw/zinc/23/95/62/664239562.db2.gz JADMJINSAIDRLT-CABZTGNLSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145283 664239566 /nfs/dbraw/zinc/23/95/66/664239566.db2.gz JADMJINSAIDRLT-CABZTGNLSA-N 1 1 318.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149198 664239628 /nfs/dbraw/zinc/23/96/28/664239628.db2.gz OYNCSVAGZFQCGG-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC000958149198 664239633 /nfs/dbraw/zinc/23/96/33/664239633.db2.gz OYNCSVAGZFQCGG-ONGXEEELSA-N 1 1 323.353 -2.451 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145284 664239647 /nfs/dbraw/zinc/23/96/47/664239647.db2.gz JADMJINSAIDRLT-JOYOIKCWSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145284 664239648 /nfs/dbraw/zinc/23/96/48/664239648.db2.gz JADMJINSAIDRLT-JOYOIKCWSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145285 664239882 /nfs/dbraw/zinc/23/98/82/664239882.db2.gz JADMJINSAIDRLT-SKDRFNHKSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3ccncc23)C1 ZINC000958145285 664239886 /nfs/dbraw/zinc/23/98/86/664239886.db2.gz JADMJINSAIDRLT-SKDRFNHKSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC000958152302 664240183 /nfs/dbraw/zinc/24/01/83/664240183.db2.gz NXEXMIQXEDFENV-DGCLKSJQSA-N 1 1 324.381 -1.182 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154329 664240279 /nfs/dbraw/zinc/24/02/79/664240279.db2.gz ZGXXMMXTLISOCM-KOLCDFICSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCOC3)C1 ZINC000958154329 664240281 /nfs/dbraw/zinc/24/02/81/664240281.db2.gz ZGXXMMXTLISOCM-KOLCDFICSA-N 1 1 323.353 -2.079 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC000958150912 664240321 /nfs/dbraw/zinc/24/03/21/664240321.db2.gz DMLCVHUCKJTODI-WOFXILAISA-N 1 1 305.338 -1.070 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958161236 664240947 /nfs/dbraw/zinc/24/09/47/664240947.db2.gz ICGHXMFLVWLITI-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958161236 664240950 /nfs/dbraw/zinc/24/09/50/664240950.db2.gz ICGHXMFLVWLITI-RYUDHWBXSA-N 1 1 323.397 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155250 664241011 /nfs/dbraw/zinc/24/10/11/664241011.db2.gz BJXZMMQBWXJALV-ONGXEEELSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958155250 664241016 /nfs/dbraw/zinc/24/10/16/664241016.db2.gz BJXZMMQBWXJALV-ONGXEEELSA-N 1 1 307.354 -1.663 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958155758 664241188 /nfs/dbraw/zinc/24/11/88/664241188.db2.gz DNXSZPRUIBPTDR-GHMZBOCLSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958155758 664241189 /nfs/dbraw/zinc/24/11/89/664241189.db2.gz DNXSZPRUIBPTDR-GHMZBOCLSA-N 1 1 323.353 -1.707 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958163996 664241225 /nfs/dbraw/zinc/24/12/25/664241225.db2.gz HVKWVMVQDHJIFS-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958163996 664241226 /nfs/dbraw/zinc/24/12/26/664241226.db2.gz HVKWVMVQDHJIFS-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO COCc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958156919 664241424 /nfs/dbraw/zinc/24/14/24/664241424.db2.gz KOILXRMVVJOEEF-QWHCGFSZSA-N 1 1 322.365 -1.264 20 0 DAADMO COCc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958156919 664241429 /nfs/dbraw/zinc/24/14/29/664241429.db2.gz KOILXRMVVJOEEF-QWHCGFSZSA-N 1 1 322.365 -1.264 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC000958162002 664241548 /nfs/dbraw/zinc/24/15/48/664241548.db2.gz PECGLNOCANERDY-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)ncn2C)[C@H](O)C1 ZINC000958162002 664241550 /nfs/dbraw/zinc/24/15/50/664241550.db2.gz PECGLNOCANERDY-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2n[nH]cc2c1 ZINC000958174671 664241706 /nfs/dbraw/zinc/24/17/06/664241706.db2.gz GOKGSFWNURPQKY-VXGBXAGGSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC000958179802 664241787 /nfs/dbraw/zinc/24/17/87/664241787.db2.gz STAXFCTVMMSFQQ-AAEUAGOBSA-N 1 1 324.381 -1.182 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3cccn3cn2)[C@H](O)C1 ZINC000958174310 664241793 /nfs/dbraw/zinc/24/17/93/664241793.db2.gz DFAYGULDXBSYJR-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3cccn3cn2)[C@H](O)C1 ZINC000958174310 664241797 /nfs/dbraw/zinc/24/17/97/664241797.db2.gz DFAYGULDXBSYJR-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC000958179805 664241892 /nfs/dbraw/zinc/24/18/92/664241892.db2.gz STAXFCTVMMSFQQ-YPMHNXCESA-N 1 1 324.381 -1.182 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958180720 664241940 /nfs/dbraw/zinc/24/19/40/664241940.db2.gz CBDIMYSUPYGBRV-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO COCCn1nccc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958172142 664241951 /nfs/dbraw/zinc/24/19/51/664241951.db2.gz QDFIPWKPOCUKCQ-DGCLKSJQSA-N 1 1 312.370 -1.456 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178995 664241971 /nfs/dbraw/zinc/24/19/71/664241971.db2.gz FQLPPOMVRWMOCI-OIBJUYFYSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc(F)cc2F)C1 ZINC000958178995 664241973 /nfs/dbraw/zinc/24/19/73/664241973.db2.gz FQLPPOMVRWMOCI-OIBJUYFYSA-N 1 1 314.292 -1.132 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)nn2c1 ZINC000958168896 664242024 /nfs/dbraw/zinc/24/20/24/664242024.db2.gz ZIUDJCQMXASFKJ-GHMZBOCLSA-N 1 1 320.353 -1.552 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2nc[nH]c2n1 ZINC000958179485 664242163 /nfs/dbraw/zinc/24/21/63/664242163.db2.gz NQWXRGUNUWPVMN-SKDRFNHKSA-N 1 1 305.338 -1.027 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958180528 664242194 /nfs/dbraw/zinc/24/21/94/664242194.db2.gz AAERUGBJJILESF-XZUYRWCXSA-N 1 1 319.369 -1.660 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174308 664242213 /nfs/dbraw/zinc/24/22/13/664242213.db2.gz DFAYGULDXBSYJR-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958174308 664242216 /nfs/dbraw/zinc/24/22/16/664242216.db2.gz DFAYGULDXBSYJR-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC000958179586 664242287 /nfs/dbraw/zinc/24/22/87/664242287.db2.gz PFFQHFLMYBPKIU-CMPLNLGQSA-N 1 1 310.354 -1.572 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncc(F)cc2F)[C@H](O)C1 ZINC000958178994 664242364 /nfs/dbraw/zinc/24/23/64/664242364.db2.gz FQLPPOMVRWMOCI-GMSGAONNSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncc(F)cc2F)[C@H](O)C1 ZINC000958178994 664242367 /nfs/dbraw/zinc/24/23/67/664242367.db2.gz FQLPPOMVRWMOCI-GMSGAONNSA-N 1 1 314.292 -1.132 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958184102 664242670 /nfs/dbraw/zinc/24/26/70/664242670.db2.gz VDDPKTNSUMPHRH-WDEREUQCSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958184102 664242672 /nfs/dbraw/zinc/24/26/72/664242672.db2.gz VDDPKTNSUMPHRH-WDEREUQCSA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958181190 664242748 /nfs/dbraw/zinc/24/27/48/664242748.db2.gz IBOXTMLYMKNSKP-KIKITERTSA-N 1 1 319.325 -2.475 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958184099 664242778 /nfs/dbraw/zinc/24/27/78/664242778.db2.gz VDDPKTNSUMPHRH-GHMZBOCLSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958184099 664242781 /nfs/dbraw/zinc/24/27/81/664242781.db2.gz VDDPKTNSUMPHRH-GHMZBOCLSA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958181235 664242821 /nfs/dbraw/zinc/24/28/21/664242821.db2.gz IMOZIQZUQAUASO-KLBPJQLPSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958184543 664242920 /nfs/dbraw/zinc/24/29/20/664242920.db2.gz CRZFMQBWAQTQTJ-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC000958182681 664242983 /nfs/dbraw/zinc/24/29/83/664242983.db2.gz FADNQUAMTOOVJS-STQMWFEESA-N 1 1 309.366 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cnnn2)C1=O ZINC000958184870 664243126 /nfs/dbraw/zinc/24/31/26/664243126.db2.gz ILZYPBIADKBGPS-MIZYBKAJSA-N 1 1 305.342 -2.050 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191055 664243187 /nfs/dbraw/zinc/24/31/87/664243187.db2.gz RVMLVKYRIQATNX-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3ccccn23)C1 ZINC000958191055 664243192 /nfs/dbraw/zinc/24/31/92/664243192.db2.gz RVMLVKYRIQATNX-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)cn1 ZINC000958184831 664243289 /nfs/dbraw/zinc/24/32/89/664243289.db2.gz IAFQTLIXMACXKH-XZUYRWCXSA-N 1 1 317.349 -1.115 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958185362 664243336 /nfs/dbraw/zinc/24/33/36/664243336.db2.gz QOYQFOHSLSKOLI-UXCLJVHYSA-N 1 1 307.358 -1.804 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958193072 664243346 /nfs/dbraw/zinc/24/33/46/664243346.db2.gz NUHMPOQENXJWQD-PJXYFTJBSA-N 1 1 302.342 -1.347 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958192159 664243459 /nfs/dbraw/zinc/24/34/59/664243459.db2.gz BLGCXBQPZAYUTB-IAZYJMLFSA-N 1 1 303.330 -1.952 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958192159 664243463 /nfs/dbraw/zinc/24/34/63/664243463.db2.gz BLGCXBQPZAYUTB-IAZYJMLFSA-N 1 1 303.330 -1.952 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958198941 664244275 /nfs/dbraw/zinc/24/42/75/664244275.db2.gz CGCDETMIXURAMX-QWRGUYRKSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccn1 ZINC000958198941 664244279 /nfs/dbraw/zinc/24/42/79/664244279.db2.gz CGCDETMIXURAMX-QWRGUYRKSA-N 1 1 308.338 -1.402 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000958196793 664244362 /nfs/dbraw/zinc/24/43/62/664244362.db2.gz YHHJKSSQGSDRBM-GXSJLCMTSA-N 1 1 321.337 -1.322 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)no1 ZINC000958199928 664244377 /nfs/dbraw/zinc/24/43/77/664244377.db2.gz NCRJVJOQSDNDFQ-ZWNOBZJWSA-N 1 1 312.370 -1.249 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958200089 664244387 /nfs/dbraw/zinc/24/43/87/664244387.db2.gz FYUTWYPJGBWIBJ-BBGACYKPSA-N 1 1 306.366 -1.456 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC000958203717 664244652 /nfs/dbraw/zinc/24/46/52/664244652.db2.gz UFPNUPRQXLDQIJ-VXGBXAGGSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(=O)n(C)c2)[C@H](O)C1 ZINC000958203717 664244657 /nfs/dbraw/zinc/24/46/57/664244657.db2.gz UFPNUPRQXLDQIJ-VXGBXAGGSA-N 1 1 322.365 -1.846 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000958206514 664244987 /nfs/dbraw/zinc/24/49/87/664244987.db2.gz KZCIRZRJINYMEJ-GWCFXTLKSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206514 664244990 /nfs/dbraw/zinc/24/49/90/664244990.db2.gz KZCIRZRJINYMEJ-GWCFXTLKSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC000958206514 664244992 /nfs/dbraw/zinc/24/49/92/664244992.db2.gz KZCIRZRJINYMEJ-GWCFXTLKSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC000958205618 664245509 /nfs/dbraw/zinc/24/55/09/664245509.db2.gz BMJDDDXYDILFBZ-MWLCHTKSSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnn[nH]1 ZINC000958205618 664245513 /nfs/dbraw/zinc/24/55/13/664245513.db2.gz BMJDDDXYDILFBZ-MWLCHTKSSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnn[nH]1 ZINC000958205618 664245521 /nfs/dbraw/zinc/24/55/21/664245521.db2.gz BMJDDDXYDILFBZ-MWLCHTKSSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC000958206997 664246369 /nfs/dbraw/zinc/24/63/69/664246369.db2.gz QBKUHQYHVHABKK-KOLCDFICSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206997 664246375 /nfs/dbraw/zinc/24/63/75/664246375.db2.gz QBKUHQYHVHABKK-KOLCDFICSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnn[nH]1 ZINC000958206997 664246379 /nfs/dbraw/zinc/24/63/79/664246379.db2.gz QBKUHQYHVHABKK-KOLCDFICSA-N 1 1 323.357 -2.148 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210618 664246401 /nfs/dbraw/zinc/24/64/01/664246401.db2.gz OYMSIAMVJCJKPA-KCJUWKMLSA-N 1 1 307.354 -1.594 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210618 664246406 /nfs/dbraw/zinc/24/64/06/664246406.db2.gz OYMSIAMVJCJKPA-KCJUWKMLSA-N 1 1 307.354 -1.594 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210332 664246673 /nfs/dbraw/zinc/24/66/73/664246673.db2.gz LCCZFOKQAMUNHF-SKDRFNHKSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000958210332 664246675 /nfs/dbraw/zinc/24/66/75/664246675.db2.gz LCCZFOKQAMUNHF-SKDRFNHKSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC000958210329 664247145 /nfs/dbraw/zinc/24/71/45/664247145.db2.gz LCCZFOKQAMUNHF-BXKDBHETSA-N 1 1 321.381 -1.333 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@H](O)C1 ZINC000958210329 664247148 /nfs/dbraw/zinc/24/71/48/664247148.db2.gz LCCZFOKQAMUNHF-BXKDBHETSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]n1 ZINC000958206998 664247272 /nfs/dbraw/zinc/24/72/72/664247272.db2.gz QBKUHQYHVHABKK-MWLCHTKSSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206998 664247273 /nfs/dbraw/zinc/24/72/73/664247273.db2.gz QBKUHQYHVHABKK-MWLCHTKSSA-N 1 1 323.357 -2.148 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206998 664247275 /nfs/dbraw/zinc/24/72/75/664247275.db2.gz QBKUHQYHVHABKK-MWLCHTKSSA-N 1 1 323.357 -2.148 20 0 DAADMO CCCc1c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958209894 664247283 /nfs/dbraw/zinc/24/72/83/664247283.db2.gz DOUSLZIUNKXUGX-GXFFZTMASA-N 1 1 323.397 -1.120 20 0 DAADMO CCCc1c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cnn1C ZINC000958209894 664247288 /nfs/dbraw/zinc/24/72/88/664247288.db2.gz DOUSLZIUNKXUGX-GXFFZTMASA-N 1 1 323.397 -1.120 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958219947 664247696 /nfs/dbraw/zinc/24/76/96/664247696.db2.gz QFXOTKQMAYGBIA-KOLCDFICSA-N 1 1 323.353 -2.368 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958219947 664247698 /nfs/dbraw/zinc/24/76/98/664247698.db2.gz QFXOTKQMAYGBIA-KOLCDFICSA-N 1 1 323.353 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214297 664247791 /nfs/dbraw/zinc/24/77/91/664247791.db2.gz FYJVLGXPWQEVDP-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3cccnc3n2)C1 ZINC000958214297 664247794 /nfs/dbraw/zinc/24/77/94/664247794.db2.gz FYJVLGXPWQEVDP-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2c1OCCC2 ZINC000958220513 664248039 /nfs/dbraw/zinc/24/80/39/664248039.db2.gz ZJTZKHLMFBZPMQ-ZYHUDNBSSA-N 1 1 310.354 -1.320 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(n1)OCCO2 ZINC000958214815 664248349 /nfs/dbraw/zinc/24/83/49/664248349.db2.gz NFTYWSTYVCIBLD-JQWIXIFHSA-N 1 1 323.349 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc3ncnn32)[C@H](O)C1 ZINC000958222427 664248461 /nfs/dbraw/zinc/24/84/61/664248461.db2.gz CPQPMZDPGFZZDT-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc3ncnn32)[C@H](O)C1 ZINC000958222427 664248463 /nfs/dbraw/zinc/24/84/63/664248463.db2.gz CPQPMZDPGFZZDT-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO CCc1nnsc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958231620 664248827 /nfs/dbraw/zinc/24/88/27/664248827.db2.gz DGIZRCGMCLZMFM-APPZFPTMSA-N 1 1 313.383 -1.392 20 0 DAADMO CCc1nnsc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958231620 664248829 /nfs/dbraw/zinc/24/88/29/664248829.db2.gz DGIZRCGMCLZMFM-APPZFPTMSA-N 1 1 313.383 -1.392 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958229088 664248992 /nfs/dbraw/zinc/24/89/92/664248992.db2.gz XWAAHGRUWGVGBS-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958229088 664248996 /nfs/dbraw/zinc/24/89/96/664248996.db2.gz XWAAHGRUWGVGBS-GWCFXTLKSA-N 1 1 321.381 -1.279 20 0 DAADMO CCc1nnsc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958231623 664249020 /nfs/dbraw/zinc/24/90/20/664249020.db2.gz DGIZRCGMCLZMFM-VXNVDRBHSA-N 1 1 313.383 -1.392 20 0 DAADMO CCc1nnsc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958231623 664249023 /nfs/dbraw/zinc/24/90/23/664249023.db2.gz DGIZRCGMCLZMFM-VXNVDRBHSA-N 1 1 313.383 -1.392 20 0 DAADMO CCc1nnsc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958231621 664249089 /nfs/dbraw/zinc/24/90/89/664249089.db2.gz DGIZRCGMCLZMFM-CBAPKCEASA-N 1 1 313.383 -1.392 20 0 DAADMO CCc1nnsc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958231621 664249091 /nfs/dbraw/zinc/24/90/91/664249091.db2.gz DGIZRCGMCLZMFM-CBAPKCEASA-N 1 1 313.383 -1.392 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958228169 664249316 /nfs/dbraw/zinc/24/93/16/664249316.db2.gz MFBWBYXPOGHAFB-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958228169 664249322 /nfs/dbraw/zinc/24/93/22/664249322.db2.gz MFBWBYXPOGHAFB-DGCLKSJQSA-N 1 1 321.381 -1.325 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958234866 664249601 /nfs/dbraw/zinc/24/96/01/664249601.db2.gz BRDVCADGMSKFPD-WDEREUQCSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958234866 664249605 /nfs/dbraw/zinc/24/96/05/664249605.db2.gz BRDVCADGMSKFPD-WDEREUQCSA-N 1 1 308.338 -1.402 20 0 DAADMO COCCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958248722 664249823 /nfs/dbraw/zinc/24/98/23/664249823.db2.gz NQRFRRQEJJAJGO-DGCLKSJQSA-N 1 1 312.370 -1.456 20 0 DAADMO COc1cnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nc1 ZINC000958242792 664249970 /nfs/dbraw/zinc/24/99/70/664249970.db2.gz FJSPTPLWTBXELF-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000958248504 664250150 /nfs/dbraw/zinc/25/01/50/664250150.db2.gz JWXCZPSZEVDLHP-WPRPVWTQSA-N 1 1 306.326 -1.632 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958244650 664250192 /nfs/dbraw/zinc/25/01/92/664250192.db2.gz VTCQLKPRQREASN-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958244650 664250194 /nfs/dbraw/zinc/25/01/94/664250194.db2.gz VTCQLKPRQREASN-SCZZXKLOSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958244649 664250212 /nfs/dbraw/zinc/25/02/12/664250212.db2.gz VTCQLKPRQREASN-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958244649 664250213 /nfs/dbraw/zinc/25/02/13/664250213.db2.gz VTCQLKPRQREASN-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000958248656 664250223 /nfs/dbraw/zinc/25/02/23/664250223.db2.gz MPLPXRGGKWERHK-ONGXEEELSA-N 1 1 320.353 -1.242 20 0 DAADMO COCCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958248724 664250232 /nfs/dbraw/zinc/25/02/32/664250232.db2.gz NQRFRRQEJJAJGO-YPMHNXCESA-N 1 1 312.370 -1.456 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958243018 664250261 /nfs/dbraw/zinc/25/02/61/664250261.db2.gz HDPDFBJWJGXDEM-MNOVXSKESA-N 1 1 323.349 -1.236 20 0 DAADMO Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958243018 664250264 /nfs/dbraw/zinc/25/02/64/664250264.db2.gz HDPDFBJWJGXDEM-MNOVXSKESA-N 1 1 323.349 -1.236 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958236741 664250270 /nfs/dbraw/zinc/25/02/70/664250270.db2.gz AFPMVTDYVSRRIU-BBGACYKPSA-N 1 1 317.349 -1.265 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC000958248501 664250315 /nfs/dbraw/zinc/25/03/15/664250315.db2.gz JWXCZPSZEVDLHP-PSASIEDQSA-N 1 1 306.326 -1.632 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234995 664250417 /nfs/dbraw/zinc/25/04/17/664250417.db2.gz DNXFSWWRWKNUOW-NEPJUHHUSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(OC)nc2)C1 ZINC000958234995 664250419 /nfs/dbraw/zinc/25/04/19/664250419.db2.gz DNXFSWWRWKNUOW-NEPJUHHUSA-N 1 1 322.365 -1.141 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)o1 ZINC000958239393 664250512 /nfs/dbraw/zinc/25/05/12/664250512.db2.gz OCPKYZSPAHAOTO-ZJUUUORDSA-N 1 1 311.338 -1.217 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC000958248502 664250554 /nfs/dbraw/zinc/25/05/54/664250554.db2.gz JWXCZPSZEVDLHP-SCZZXKLOSA-N 1 1 306.326 -1.632 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc3nccn32)[C@H](O)C1 ZINC000958257954 664250776 /nfs/dbraw/zinc/25/07/76/664250776.db2.gz LIUJBAFNBASMCI-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc3nccn32)[C@H](O)C1 ZINC000958257954 664250778 /nfs/dbraw/zinc/25/07/78/664250778.db2.gz LIUJBAFNBASMCI-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958258303 664250802 /nfs/dbraw/zinc/25/08/02/664250802.db2.gz PCCIBVZSIBWCGI-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958258303 664250805 /nfs/dbraw/zinc/25/08/05/664250805.db2.gz PCCIBVZSIBWCGI-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257953 664250959 /nfs/dbraw/zinc/25/09/59/664250959.db2.gz LIUJBAFNBASMCI-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257953 664250962 /nfs/dbraw/zinc/25/09/62/664250962.db2.gz LIUJBAFNBASMCI-PWSUYJOCSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC000958255451 664251057 /nfs/dbraw/zinc/25/10/57/664251057.db2.gz YKOQFUGMWWCANW-JQWIXIFHSA-N 1 1 310.354 -1.320 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259110 664251087 /nfs/dbraw/zinc/25/10/87/664251087.db2.gz ZBIMOBFFHKDMCD-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958259110 664251088 /nfs/dbraw/zinc/25/10/88/664251088.db2.gz ZBIMOBFFHKDMCD-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3nnnn3c2)[C@H](O)C1 ZINC000958253648 664251091 /nfs/dbraw/zinc/25/10/91/664251091.db2.gz IZUHRQJIWIEFJD-VXGBXAGGSA-N 1 1 320.353 -1.207 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3nnnn3c2)[C@H](O)C1 ZINC000958254686 664251117 /nfs/dbraw/zinc/25/11/17/664251117.db2.gz RLTHTPVSYMWTQE-NXEZZACHSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3nnnn3c2)[C@H](O)C1 ZINC000958254686 664251118 /nfs/dbraw/zinc/25/11/18/664251118.db2.gz RLTHTPVSYMWTQE-NXEZZACHSA-N 1 1 319.325 -2.368 20 0 DAADMO COc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1=O ZINC000958263057 664251120 /nfs/dbraw/zinc/25/11/20/664251120.db2.gz NASCKXONIHLIDU-BXKDBHETSA-N 1 1 311.338 -1.602 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254692 664251212 /nfs/dbraw/zinc/25/12/12/664251212.db2.gz RLTHTPVSYMWTQE-ZJUUUORDSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC000958254692 664251214 /nfs/dbraw/zinc/25/12/14/664251214.db2.gz RLTHTPVSYMWTQE-ZJUUUORDSA-N 1 1 319.325 -2.368 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958258301 664251352 /nfs/dbraw/zinc/25/13/52/664251352.db2.gz PCCIBVZSIBWCGI-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958258301 664251355 /nfs/dbraw/zinc/25/13/55/664251355.db2.gz PCCIBVZSIBWCGI-APPZFPTMSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)ncc1=O ZINC000958274114 664251708 /nfs/dbraw/zinc/25/17/08/664251708.db2.gz VCNRXYUGLYNOOR-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ncc1=O ZINC000958274114 664251712 /nfs/dbraw/zinc/25/17/12/664251712.db2.gz VCNRXYUGLYNOOR-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)N1CCC1 ZINC000958268580 664251745 /nfs/dbraw/zinc/25/17/45/664251745.db2.gz LTWGVEUJXFHQIX-KZVDOYCCSA-N 1 1 309.366 -1.320 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277852 664251799 /nfs/dbraw/zinc/25/17/99/664251799.db2.gz QZZPPJNGWZULCW-UWVGGRQHSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277852 664251803 /nfs/dbraw/zinc/25/18/03/664251803.db2.gz QZZPPJNGWZULCW-UWVGGRQHSA-N 1 1 324.337 -1.853 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958267362 664252052 /nfs/dbraw/zinc/25/20/52/664252052.db2.gz MWCKPEPSAKJRKN-PWSUYJOCSA-N 1 1 320.353 -1.622 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278760 664252292 /nfs/dbraw/zinc/25/22/92/664252292.db2.gz WUIQUOKQFFCKRR-DTWKUNHWSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958278760 664252297 /nfs/dbraw/zinc/25/22/97/664252297.db2.gz WUIQUOKQFFCKRR-DTWKUNHWSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)co1 ZINC000958281060 664252362 /nfs/dbraw/zinc/25/23/62/664252362.db2.gz GLMLNOUGYAPYIC-QWRGUYRKSA-N 1 1 311.338 -1.217 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287180 664252411 /nfs/dbraw/zinc/25/24/11/664252411.db2.gz AMMHCEIBQWXZDU-WDEREUQCSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287180 664252417 /nfs/dbraw/zinc/25/24/17/664252417.db2.gz AMMHCEIBQWXZDU-WDEREUQCSA-N 1 1 308.338 -1.071 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958281668 664252578 /nfs/dbraw/zinc/25/25/78/664252578.db2.gz OHFNHIOUPQSDQX-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958281668 664252580 /nfs/dbraw/zinc/25/25/80/664252580.db2.gz OHFNHIOUPQSDQX-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287179 664252604 /nfs/dbraw/zinc/25/26/04/664252604.db2.gz AMMHCEIBQWXZDU-QWRGUYRKSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1)N1CCC1 ZINC000958287179 664252607 /nfs/dbraw/zinc/25/26/07/664252607.db2.gz AMMHCEIBQWXZDU-QWRGUYRKSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1csnn1 ZINC000958289204 664252709 /nfs/dbraw/zinc/25/27/09/664252709.db2.gz SYMRZLUBEVDQAE-ONGXEEELSA-N 1 1 323.382 -1.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958289416 664252765 /nfs/dbraw/zinc/25/27/65/664252765.db2.gz VHSXAKYXOVAXJZ-WPRPVWTQSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csnn2)C1 ZINC000958289416 664252768 /nfs/dbraw/zinc/25/27/68/664252768.db2.gz VHSXAKYXOVAXJZ-WPRPVWTQSA-N 1 1 313.383 -1.351 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958282895 664252792 /nfs/dbraw/zinc/25/27/92/664252792.db2.gz BYSDCSPLRRTJOU-ZWNOBZJWSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)nn1 ZINC000958282895 664252797 /nfs/dbraw/zinc/25/27/97/664252797.db2.gz BYSDCSPLRRTJOU-ZWNOBZJWSA-N 1 1 321.381 -1.145 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1)NC1CC1 ZINC000958290746 664252879 /nfs/dbraw/zinc/25/28/79/664252879.db2.gz GFSWPWMGCARZNN-MWLCHTKSSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cnco2)[C@H](O)C1)NC1CC1 ZINC000958290746 664252883 /nfs/dbraw/zinc/25/28/83/664252883.db2.gz GFSWPWMGCARZNN-MWLCHTKSSA-N 1 1 308.338 -1.024 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958281669 664252892 /nfs/dbraw/zinc/25/28/92/664252892.db2.gz OHFNHIOUPQSDQX-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958281669 664252893 /nfs/dbraw/zinc/25/28/93/664252893.db2.gz OHFNHIOUPQSDQX-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958282001 664252908 /nfs/dbraw/zinc/25/29/08/664252908.db2.gz SYUKOVWXVJKDOC-WPRPVWTQSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958282001 664252912 /nfs/dbraw/zinc/25/29/12/664252912.db2.gz SYUKOVWXVJKDOC-WPRPVWTQSA-N 1 1 312.326 -1.548 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ccn[nH]1 ZINC000958296750 664253125 /nfs/dbraw/zinc/25/31/25/664253125.db2.gz BNWIMTHKSZVTJJ-RBPQBLHMSA-N 1 1 303.322 -1.125 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnco1 ZINC000958300761 664253442 /nfs/dbraw/zinc/25/34/42/664253442.db2.gz WDWACWJSZIQDLA-GHMZBOCLSA-N 1 1 306.326 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958300592 664253486 /nfs/dbraw/zinc/25/34/86/664253486.db2.gz SKBRAHADWSQKKD-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958300592 664253487 /nfs/dbraw/zinc/25/34/87/664253487.db2.gz SKBRAHADWSQKKD-YPMHNXCESA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958300176 664253505 /nfs/dbraw/zinc/25/35/05/664253505.db2.gz MDUNIZSJTSUADH-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958300176 664253506 /nfs/dbraw/zinc/25/35/06/664253506.db2.gz MDUNIZSJTSUADH-ZYHUDNBSSA-N 1 1 309.370 -1.171 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296205 664253539 /nfs/dbraw/zinc/25/35/39/664253539.db2.gz DATKNZNPXFDAQL-NEPJUHHUSA-N 1 1 323.397 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(C)c2C)C1 ZINC000958296205 664253541 /nfs/dbraw/zinc/25/35/41/664253541.db2.gz DATKNZNPXFDAQL-NEPJUHHUSA-N 1 1 323.397 -1.195 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958300175 664253606 /nfs/dbraw/zinc/25/36/06/664253606.db2.gz MDUNIZSJTSUADH-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958300175 664253607 /nfs/dbraw/zinc/25/36/07/664253607.db2.gz MDUNIZSJTSUADH-PWSUYJOCSA-N 1 1 309.370 -1.171 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958308783 664254161 /nfs/dbraw/zinc/25/41/61/664254161.db2.gz ABAGTBYEWUUXHZ-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958308783 664254165 /nfs/dbraw/zinc/25/41/65/664254165.db2.gz ABAGTBYEWUUXHZ-WCBMZHEXSA-N 1 1 311.342 -2.064 20 0 DAADMO CCCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958304384 664254325 /nfs/dbraw/zinc/25/43/25/664254325.db2.gz NMTBHFHTEHPIAW-CABZTGNLSA-N 1 1 309.370 -1.130 20 0 DAADMO CCCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)[nH]n1 ZINC000958304384 664254327 /nfs/dbraw/zinc/25/43/27/664254327.db2.gz NMTBHFHTEHPIAW-CABZTGNLSA-N 1 1 309.370 -1.130 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn2cccnc12 ZINC000958309179 664254734 /nfs/dbraw/zinc/25/47/34/664254734.db2.gz IAUWJDIJQDCRAA-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958315651 664254827 /nfs/dbraw/zinc/25/48/27/664254827.db2.gz AOHJPLSRSHODCO-ONGXEEELSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958315651 664254831 /nfs/dbraw/zinc/25/48/31/664254831.db2.gz AOHJPLSRSHODCO-ONGXEEELSA-N 1 1 320.357 -1.834 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958313656 664254893 /nfs/dbraw/zinc/25/48/93/664254893.db2.gz SLGCQUVHHJILSW-VHSXEESVSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958313656 664254898 /nfs/dbraw/zinc/25/48/98/664254898.db2.gz SLGCQUVHHJILSW-VHSXEESVSA-N 1 1 310.358 -1.776 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958313278 664255016 /nfs/dbraw/zinc/25/50/16/664255016.db2.gz MJNKISQBTHSYTN-GHMZBOCLSA-N 1 1 320.357 -1.573 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC000958315992 664255119 /nfs/dbraw/zinc/25/51/19/664255119.db2.gz CRBWBNUEWBONNA-NWDGAFQWSA-N 1 1 317.353 -1.172 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1)N1CCOCC1 ZINC000958311846 664255353 /nfs/dbraw/zinc/25/53/53/664255353.db2.gz WVIJLGPQKLRAMZ-IMRBUKKESA-N 1 1 319.365 -1.072 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1)N1CCOCC1 ZINC000958311846 664255357 /nfs/dbraw/zinc/25/53/57/664255357.db2.gz WVIJLGPQKLRAMZ-IMRBUKKESA-N 1 1 319.365 -1.072 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958313279 664255375 /nfs/dbraw/zinc/25/53/75/664255375.db2.gz MJNKISQBTHSYTN-MNOVXSKESA-N 1 1 320.357 -1.573 20 0 DAADMO COc1ccnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958314028 664255447 /nfs/dbraw/zinc/25/54/47/664255447.db2.gz YKVWDKKPALKGEH-JOYOIKCWSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958314028 664255451 /nfs/dbraw/zinc/25/54/51/664255451.db2.gz YKVWDKKPALKGEH-JOYOIKCWSA-N 1 1 308.338 -1.402 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958313743 664255477 /nfs/dbraw/zinc/25/54/77/664255477.db2.gz VJIQPJASAQWSSM-KOLCDFICSA-N 1 1 322.369 -1.586 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958313743 664255480 /nfs/dbraw/zinc/25/54/80/664255480.db2.gz VJIQPJASAQWSSM-KOLCDFICSA-N 1 1 322.369 -1.586 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3cccnc23)[C@H](O)C1 ZINC000958310303 664255494 /nfs/dbraw/zinc/25/54/94/664255494.db2.gz ZOZFEJDGHMKSGO-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3cccnc23)[C@H](O)C1 ZINC000958310303 664255501 /nfs/dbraw/zinc/25/55/01/664255501.db2.gz ZOZFEJDGHMKSGO-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316680 664255760 /nfs/dbraw/zinc/25/57/60/664255760.db2.gz MODYSBMTJMDYRY-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1nocc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316680 664255768 /nfs/dbraw/zinc/25/57/68/664255768.db2.gz MODYSBMTJMDYRY-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC000958317178 664256161 /nfs/dbraw/zinc/25/61/61/664256161.db2.gz UCQWAGCMEXRLHO-PWSUYJOCSA-N 1 1 322.365 -1.082 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1=O ZINC000958317032 664256193 /nfs/dbraw/zinc/25/61/93/664256193.db2.gz QXWBHNQRZJGOAW-PSASIEDQSA-N 1 1 312.326 -2.499 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958316851 664256465 /nfs/dbraw/zinc/25/64/65/664256465.db2.gz OUPZHSVZNKOUMJ-ZJUUUORDSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958316851 664256467 /nfs/dbraw/zinc/25/64/67/664256467.db2.gz OUPZHSVZNKOUMJ-ZJUUUORDSA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316394 664256487 /nfs/dbraw/zinc/25/64/87/664256487.db2.gz HUKMRYZRODTBDP-MWLCHTKSSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958316394 664256489 /nfs/dbraw/zinc/25/64/89/664256489.db2.gz HUKMRYZRODTBDP-MWLCHTKSSA-N 1 1 320.357 -1.834 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319796 664256991 /nfs/dbraw/zinc/25/69/91/664256991.db2.gz MLFKVVJIWMBWGU-JLDUMIBSSA-N 1 1 311.382 -1.624 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319796 664256994 /nfs/dbraw/zinc/25/69/94/664256994.db2.gz MLFKVVJIWMBWGU-JLDUMIBSSA-N 1 1 311.382 -1.624 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000958318787 664257315 /nfs/dbraw/zinc/25/73/15/664257315.db2.gz GRPDGIOOFUXPEZ-NWDGAFQWSA-N 1 1 320.353 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]2O)n1 ZINC000958328587 664257955 /nfs/dbraw/zinc/25/79/55/664257955.db2.gz JPUAXBQXNACPQL-SCZZXKLOSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]2O)n1 ZINC000958328587 664257956 /nfs/dbraw/zinc/25/79/56/664257956.db2.gz JPUAXBQXNACPQL-SCZZXKLOSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958328242 664258175 /nfs/dbraw/zinc/25/81/75/664258175.db2.gz CGHJVCXSLNEJLJ-NXEZZACHSA-N 1 1 321.345 -2.476 20 0 DAADMO Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328364 664258187 /nfs/dbraw/zinc/25/81/87/664258187.db2.gz FDKWQZOBNNPZKW-QWRGUYRKSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1oncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328364 664258190 /nfs/dbraw/zinc/25/81/90/664258190.db2.gz FDKWQZOBNNPZKW-QWRGUYRKSA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958328578 664258397 /nfs/dbraw/zinc/25/83/97/664258397.db2.gz JKEMZKXCHAZTSN-GHMZBOCLSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)n1 ZINC000958328904 664258463 /nfs/dbraw/zinc/25/84/63/664258463.db2.gz OXSKORQETCTQSZ-RYUDHWBXSA-N 1 1 324.385 -1.341 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339556 664258748 /nfs/dbraw/zinc/25/87/48/664258748.db2.gz MYDNWDYGTXXBAB-UWVGGRQHSA-N 1 1 323.353 -1.741 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339556 664258750 /nfs/dbraw/zinc/25/87/50/664258750.db2.gz MYDNWDYGTXXBAB-UWVGGRQHSA-N 1 1 323.353 -1.741 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)n1 ZINC000958329354 664258800 /nfs/dbraw/zinc/25/88/00/664258800.db2.gz XKTSCRGQNDEKRQ-PSASIEDQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)n1 ZINC000958329354 664258803 /nfs/dbraw/zinc/25/88/03/664258803.db2.gz XKTSCRGQNDEKRQ-PSASIEDQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329177 664259162 /nfs/dbraw/zinc/25/91/62/664259162.db2.gz TZKFCTHTJCABSM-ZJUUUORDSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncoc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958329177 664259163 /nfs/dbraw/zinc/25/91/63/664259163.db2.gz TZKFCTHTJCABSM-ZJUUUORDSA-N 1 1 321.341 -1.271 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339557 664259181 /nfs/dbraw/zinc/25/91/81/664259181.db2.gz MYDNWDYGTXXBAB-VHSXEESVSA-N 1 1 323.353 -1.741 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)nc[nH]c2=O)C1 ZINC000958339557 664259183 /nfs/dbraw/zinc/25/91/83/664259183.db2.gz MYDNWDYGTXXBAB-VHSXEESVSA-N 1 1 323.353 -1.741 20 0 DAADMO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329222 664259217 /nfs/dbraw/zinc/25/92/17/664259217.db2.gz UOXGTCAYOGOMNO-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cc1ncc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3nnn(C)n3)C2)o1 ZINC000958329222 664259219 /nfs/dbraw/zinc/25/92/19/664259219.db2.gz UOXGTCAYOGOMNO-GXSJLCMTSA-N 1 1 321.341 -1.271 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)n1 ZINC000958329097 664259271 /nfs/dbraw/zinc/25/92/71/664259271.db2.gz RXAQEXPOMLBYNI-KHVQUVQLSA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)n1 ZINC000958329097 664259273 /nfs/dbraw/zinc/25/92/73/664259273.db2.gz RXAQEXPOMLBYNI-KHVQUVQLSA-N 1 1 300.750 -1.015 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346097 664260263 /nfs/dbraw/zinc/26/02/63/664260263.db2.gz VYAQIFVXFDVPSU-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958346097 664260265 /nfs/dbraw/zinc/26/02/65/664260265.db2.gz VYAQIFVXFDVPSU-CMPLNLGQSA-N 1 1 321.381 -1.273 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC000958349150 664260298 /nfs/dbraw/zinc/26/02/98/664260298.db2.gz FNNVNVZCFLEUDC-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC000958349150 664260299 /nfs/dbraw/zinc/26/02/99/664260299.db2.gz FNNVNVZCFLEUDC-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356682 664261057 /nfs/dbraw/zinc/26/10/57/664261057.db2.gz QYIHWVJGLKSANT-KOLCDFICSA-N 1 1 323.353 -2.119 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356682 664261058 /nfs/dbraw/zinc/26/10/58/664261058.db2.gz QYIHWVJGLKSANT-KOLCDFICSA-N 1 1 323.353 -2.119 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356684 664261223 /nfs/dbraw/zinc/26/12/23/664261223.db2.gz QYIHWVJGLKSANT-ONGXEEELSA-N 1 1 323.353 -2.119 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958356684 664261224 /nfs/dbraw/zinc/26/12/24/664261224.db2.gz QYIHWVJGLKSANT-ONGXEEELSA-N 1 1 323.353 -2.119 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958368169 664261899 /nfs/dbraw/zinc/26/18/99/664261899.db2.gz AGMMMBGNRSHGJE-PFWNZEGQSA-N 1 1 317.349 -1.115 20 0 DAADMO COc1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958373513 664262208 /nfs/dbraw/zinc/26/22/08/664262208.db2.gz GVCMSJLXXGTNTO-KOLCDFICSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958373513 664262212 /nfs/dbraw/zinc/26/22/12/664262212.db2.gz GVCMSJLXXGTNTO-KOLCDFICSA-N 1 1 308.338 -1.402 20 0 DAADMO Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC000958379583 664262390 /nfs/dbraw/zinc/26/23/90/664262390.db2.gz WRUFYLROHWPETM-SRRSOLGSSA-N 1 1 320.397 -1.251 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373909 664262461 /nfs/dbraw/zinc/26/24/61/664262461.db2.gz JEEOXLZKBYWPBC-CMPLNLGQSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC000958373909 664262464 /nfs/dbraw/zinc/26/24/64/664262464.db2.gz JEEOXLZKBYWPBC-CMPLNLGQSA-N 1 1 322.365 -1.141 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389593 664262815 /nfs/dbraw/zinc/26/28/15/664262815.db2.gz IQWAZXUALSVHPK-DTWKUNHWSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389593 664262816 /nfs/dbraw/zinc/26/28/16/664262816.db2.gz IQWAZXUALSVHPK-DTWKUNHWSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 ZINC000958389595 664263159 /nfs/dbraw/zinc/26/31/59/664263159.db2.gz IQWAZXUALSVHPK-RKDXNWHRSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)co2)[C@H](O)C1 ZINC000958389595 664263160 /nfs/dbraw/zinc/26/31/60/664263160.db2.gz IQWAZXUALSVHPK-RKDXNWHRSA-N 1 1 310.310 -2.114 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385329 664263178 /nfs/dbraw/zinc/26/31/78/664263178.db2.gz RHPUMUZJLYCAQH-WCBMZHEXSA-N 1 1 313.333 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385329 664263180 /nfs/dbraw/zinc/26/31/80/664263180.db2.gz RHPUMUZJLYCAQH-WCBMZHEXSA-N 1 1 313.333 -1.341 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390830 664263188 /nfs/dbraw/zinc/26/31/88/664263188.db2.gz UIXDJAWPQCWJKX-VHSXEESVSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958390830 664263190 /nfs/dbraw/zinc/26/31/90/664263190.db2.gz UIXDJAWPQCWJKX-VHSXEESVSA-N 1 1 324.337 -1.853 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958391324 664263202 /nfs/dbraw/zinc/26/32/02/664263202.db2.gz GZWHDKKBHDCKQG-AVGNSLFASA-N 1 1 311.382 -1.243 20 0 DAADMO CN(C(=O)C1CC1)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958391324 664263203 /nfs/dbraw/zinc/26/32/03/664263203.db2.gz GZWHDKKBHDCKQG-AVGNSLFASA-N 1 1 311.382 -1.243 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cocn1 ZINC000958397040 664263586 /nfs/dbraw/zinc/26/35/86/664263586.db2.gz JQRAYOXRTPZDFA-GDGBQDQQSA-N 1 1 319.321 -1.114 20 0 DAADMO Cn1c(=O)cccc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958395673 664263595 /nfs/dbraw/zinc/26/35/95/664263595.db2.gz YJCRLQAVSGVYID-YPMHNXCESA-N 1 1 309.366 -1.210 20 0 DAADMO Cn1cnc2c1nccc2C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958399241 664263680 /nfs/dbraw/zinc/26/36/80/664263680.db2.gz KRJDAQHFICNQMN-ZYHUDNBSSA-N 1 1 319.365 -1.017 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958402003 664263719 /nfs/dbraw/zinc/26/37/19/664263719.db2.gz SPHIYZIQOHQSKR-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1cnc2ccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)nc21 ZINC000958395457 664263826 /nfs/dbraw/zinc/26/38/26/664263826.db2.gz VALDEPDEXFOLKY-ZWNOBZJWSA-N 1 1 319.365 -1.017 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000958394903 664263989 /nfs/dbraw/zinc/26/39/89/664263989.db2.gz LKYHWRSQNYFGIK-CBAPKCEASA-N 1 1 317.371 -1.901 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)[nH]1 ZINC000958408082 664264302 /nfs/dbraw/zinc/26/43/02/664264302.db2.gz DJNCKAOMGWDAFV-SKDRFNHKSA-N 1 1 310.354 -1.482 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958409249 664264304 /nfs/dbraw/zinc/26/43/04/664264304.db2.gz PYUYMFJSQWDKDR-PWSUYJOCSA-N 1 1 324.381 -1.634 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nccnc2N)C1=O ZINC000958414317 664264307 /nfs/dbraw/zinc/26/43/07/664264307.db2.gz DUURFHRFIADPEP-ZRUFSTJUSA-N 1 1 316.365 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958408850 664264323 /nfs/dbraw/zinc/26/43/23/664264323.db2.gz MFBOQSOQNFODSX-LDYMZIIASA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC000958408850 664264324 /nfs/dbraw/zinc/26/43/24/664264324.db2.gz MFBOQSOQNFODSX-LDYMZIIASA-N 1 1 323.353 -2.118 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC000958409725 664264333 /nfs/dbraw/zinc/26/43/33/664264333.db2.gz VUFUZYUGVXXYQK-GXFFZTMASA-N 1 1 322.365 -1.496 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409040 664264404 /nfs/dbraw/zinc/26/44/04/664264404.db2.gz NSTBQQSESPDELL-OIBJUYFYSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958409040 664264409 /nfs/dbraw/zinc/26/44/09/664264409.db2.gz NSTBQQSESPDELL-OIBJUYFYSA-N 1 1 309.326 -2.379 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)N1CCCC1 ZINC000958406035 664264614 /nfs/dbraw/zinc/26/46/14/664264614.db2.gz QVKKAKCBUSCANF-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958413147 664264732 /nfs/dbraw/zinc/26/47/32/664264732.db2.gz NCHQNCHWFUXBBO-PSASIEDQSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958413147 664264735 /nfs/dbraw/zinc/26/47/35/664264735.db2.gz NCHQNCHWFUXBBO-PSASIEDQSA-N 1 1 324.337 -1.696 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412253 664264818 /nfs/dbraw/zinc/26/48/18/664264818.db2.gz AZALONXZOLMLSL-JOYOIKCWSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412253 664264822 /nfs/dbraw/zinc/26/48/22/664264822.db2.gz AZALONXZOLMLSL-JOYOIKCWSA-N 1 1 307.354 -1.205 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958409246 664264834 /nfs/dbraw/zinc/26/48/34/664264834.db2.gz PYUYMFJSQWDKDR-CMPLNLGQSA-N 1 1 324.381 -1.634 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958413149 664264842 /nfs/dbraw/zinc/26/48/42/664264842.db2.gz NCHQNCHWFUXBBO-WCBMZHEXSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958413149 664264845 /nfs/dbraw/zinc/26/48/45/664264845.db2.gz NCHQNCHWFUXBBO-WCBMZHEXSA-N 1 1 324.337 -1.696 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429665 664265097 /nfs/dbraw/zinc/26/50/97/664265097.db2.gz MAIOKTSVJPWDSC-OLZOCXBDSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429665 664265099 /nfs/dbraw/zinc/26/50/99/664265099.db2.gz MAIOKTSVJPWDSC-OLZOCXBDSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC000958424400 664265404 /nfs/dbraw/zinc/26/54/04/664265404.db2.gz VBARGTLQXQCHNR-STQMWFEESA-N 1 1 317.353 -1.209 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418745 664265419 /nfs/dbraw/zinc/26/54/19/664265419.db2.gz UWQSVZZGXKILHI-VHSXEESVSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccn3ccnc23)C1 ZINC000958418745 664265421 /nfs/dbraw/zinc/26/54/21/664265421.db2.gz UWQSVZZGXKILHI-VHSXEESVSA-N 1 1 318.337 -1.763 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958431231 664265625 /nfs/dbraw/zinc/26/56/25/664265625.db2.gz FCTBOXHTCZBDKN-IAZYJMLFSA-N 1 1 316.365 -1.003 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000958431231 664265630 /nfs/dbraw/zinc/26/56/30/664265630.db2.gz FCTBOXHTCZBDKN-IAZYJMLFSA-N 1 1 316.365 -1.003 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2nccn3ccnc23)[C@H](O)C1 ZINC000958418743 664265776 /nfs/dbraw/zinc/26/57/76/664265776.db2.gz UWQSVZZGXKILHI-NXEZZACHSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nccn3ccnc23)[C@H](O)C1 ZINC000958418743 664265777 /nfs/dbraw/zinc/26/57/77/664265777.db2.gz UWQSVZZGXKILHI-NXEZZACHSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444202 664266293 /nfs/dbraw/zinc/26/62/93/664266293.db2.gz NXVPMVUNUCOKCR-NEPJUHHUSA-N 1 1 320.411 -1.788 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444202 664266297 /nfs/dbraw/zinc/26/62/97/664266297.db2.gz NXVPMVUNUCOKCR-NEPJUHHUSA-N 1 1 320.411 -1.788 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958436022 664266580 /nfs/dbraw/zinc/26/65/80/664266580.db2.gz SRGSFMVZSYQIRU-MWLCHTKSSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958436022 664266583 /nfs/dbraw/zinc/26/65/83/664266583.db2.gz SRGSFMVZSYQIRU-MWLCHTKSSA-N 1 1 308.338 -1.397 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448337 664266651 /nfs/dbraw/zinc/26/66/51/664266651.db2.gz NVDJTLQRHDFAGX-PWSUYJOCSA-N 1 1 324.381 -1.484 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444204 664266659 /nfs/dbraw/zinc/26/66/59/664266659.db2.gz NXVPMVUNUCOKCR-RYUDHWBXSA-N 1 1 320.411 -1.788 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)C1CCS(=O)(=O)CC1 ZINC000958444204 664266661 /nfs/dbraw/zinc/26/66/61/664266661.db2.gz NXVPMVUNUCOKCR-RYUDHWBXSA-N 1 1 320.411 -1.788 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958457529 664267294 /nfs/dbraw/zinc/26/72/94/664267294.db2.gz DLRHMNJCYHSGAU-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958457529 664267297 /nfs/dbraw/zinc/26/72/97/664267297.db2.gz DLRHMNJCYHSGAU-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958457530 664267319 /nfs/dbraw/zinc/26/73/19/664267319.db2.gz DLRHMNJCYHSGAU-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958457530 664267322 /nfs/dbraw/zinc/26/73/22/664267322.db2.gz DLRHMNJCYHSGAU-RYUDHWBXSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958459560 664267418 /nfs/dbraw/zinc/26/74/18/664267418.db2.gz SIWPPVJKGFDPSX-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC000958459560 664267421 /nfs/dbraw/zinc/26/74/21/664267421.db2.gz SIWPPVJKGFDPSX-MNOVXSKESA-N 1 1 309.370 -1.171 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958452821 664267450 /nfs/dbraw/zinc/26/74/50/664267450.db2.gz HMPLMXHAVQHCDN-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958452821 664267452 /nfs/dbraw/zinc/26/74/52/664267452.db2.gz HMPLMXHAVQHCDN-ZYHUDNBSSA-N 1 1 309.370 -1.028 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467566 664268092 /nfs/dbraw/zinc/26/80/92/664268092.db2.gz JFUNKAMVGRVOTK-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3cccnn32)C1 ZINC000958467566 664268096 /nfs/dbraw/zinc/26/80/96/664268096.db2.gz JFUNKAMVGRVOTK-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466837 664268342 /nfs/dbraw/zinc/26/83/42/664268342.db2.gz BHRQEMFJSCQZIJ-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466837 664268343 /nfs/dbraw/zinc/26/83/43/664268343.db2.gz BHRQEMFJSCQZIJ-GWCFXTLKSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3cccnn32)[C@H](O)C1 ZINC000958467567 664268468 /nfs/dbraw/zinc/26/84/68/664268468.db2.gz JFUNKAMVGRVOTK-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc3cccnn32)[C@H](O)C1 ZINC000958467567 664268474 /nfs/dbraw/zinc/26/84/74/664268474.db2.gz JFUNKAMVGRVOTK-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463029 664268491 /nfs/dbraw/zinc/26/84/91/664268491.db2.gz KMDUGHXARNFSMY-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC000958463029 664268494 /nfs/dbraw/zinc/26/84/94/664268494.db2.gz KMDUGHXARNFSMY-KOLCDFICSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000958475776 664268751 /nfs/dbraw/zinc/26/87/51/664268751.db2.gz YAFIRHNOBAYVRK-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1ncc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000958475776 664268755 /nfs/dbraw/zinc/26/87/55/664268755.db2.gz YAFIRHNOBAYVRK-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958474734 664268937 /nfs/dbraw/zinc/26/89/37/664268937.db2.gz QRDVLXZQDSPCDR-SFDCQRBFSA-N 1 1 322.409 -1.358 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC000958474734 664268942 /nfs/dbraw/zinc/26/89/42/664268942.db2.gz QRDVLXZQDSPCDR-SFDCQRBFSA-N 1 1 322.409 -1.358 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958473627 664269037 /nfs/dbraw/zinc/26/90/37/664269037.db2.gz DCIVSKSCAGKQNQ-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958473627 664269038 /nfs/dbraw/zinc/26/90/38/664269038.db2.gz DCIVSKSCAGKQNQ-RQJABVFESA-N 1 1 320.397 -1.308 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC000958476294 664269069 /nfs/dbraw/zinc/26/90/69/664269069.db2.gz IDDIZUQUFMMDDL-WDEREUQCSA-N 1 1 321.337 -1.550 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958476653 664269677 /nfs/dbraw/zinc/26/96/77/664269677.db2.gz NEZDYBOFIWALGR-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958476653 664269680 /nfs/dbraw/zinc/26/96/80/664269680.db2.gz NEZDYBOFIWALGR-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccn3ccnc23)[C@H](O)C1 ZINC000958476646 664270086 /nfs/dbraw/zinc/27/00/86/664270086.db2.gz NBGGKGQSDBIXHH-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccn3ccnc23)[C@H](O)C1 ZINC000958476646 664270087 /nfs/dbraw/zinc/27/00/87/664270087.db2.gz NBGGKGQSDBIXHH-ZYHUDNBSSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476713 664270219 /nfs/dbraw/zinc/27/02/19/664270219.db2.gz OKAKKQSNDLBYGA-WCQYABFASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3cnn(C)n3)C2)cn1 ZINC000958476713 664270221 /nfs/dbraw/zinc/27/02/21/664270221.db2.gz OKAKKQSNDLBYGA-WCQYABFASA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2nncn2c1 ZINC000958481060 664270848 /nfs/dbraw/zinc/27/08/48/664270848.db2.gz MWZWBMFVIMSGEY-VXGBXAGGSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958480762 664270935 /nfs/dbraw/zinc/27/09/35/664270935.db2.gz HRFQKMHREUCIJH-ZYHUDNBSSA-N 1 1 320.357 -1.871 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493299 664271266 /nfs/dbraw/zinc/27/12/66/664271266.db2.gz FWRQWIDGEMSIDN-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493299 664271268 /nfs/dbraw/zinc/27/12/68/664271268.db2.gz FWRQWIDGEMSIDN-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494317 664271291 /nfs/dbraw/zinc/27/12/91/664271291.db2.gz OBBDJHSIOAMFKS-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494317 664271295 /nfs/dbraw/zinc/27/12/95/664271295.db2.gz OBBDJHSIOAMFKS-YPMHNXCESA-N 1 1 321.381 -1.138 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC000958493267 664271443 /nfs/dbraw/zinc/27/14/43/664271443.db2.gz FLHZVRGRMVKNIN-ZYHUDNBSSA-N 1 1 310.354 -1.722 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958494189 664271474 /nfs/dbraw/zinc/27/14/74/664271474.db2.gz NQWOLQHHHZRTRW-KOLCDFICSA-N 1 1 323.353 -2.229 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958494189 664271476 /nfs/dbraw/zinc/27/14/76/664271476.db2.gz NQWOLQHHHZRTRW-KOLCDFICSA-N 1 1 323.353 -2.229 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1nnc[nH]1 ZINC000958493318 664271559 /nfs/dbraw/zinc/27/15/59/664271559.db2.gz FXLBHTXMIYLSFY-WDEREUQCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958493318 664271560 /nfs/dbraw/zinc/27/15/60/664271560.db2.gz FXLBHTXMIYLSFY-WDEREUQCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958493318 664271563 /nfs/dbraw/zinc/27/15/63/664271563.db2.gz FXLBHTXMIYLSFY-WDEREUQCSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1nnc[nH]1 ZINC000958493312 664271576 /nfs/dbraw/zinc/27/15/76/664271576.db2.gz FXLBHTXMIYLSFY-GHMZBOCLSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958493312 664271578 /nfs/dbraw/zinc/27/15/78/664271578.db2.gz FXLBHTXMIYLSFY-GHMZBOCLSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ncn[nH]1 ZINC000958493312 664271580 /nfs/dbraw/zinc/27/15/80/664271580.db2.gz FXLBHTXMIYLSFY-GHMZBOCLSA-N 1 1 322.369 -1.550 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958494458 664271687 /nfs/dbraw/zinc/27/16/87/664271687.db2.gz PJRXTXZUSBARPG-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000958494458 664271692 /nfs/dbraw/zinc/27/16/92/664271692.db2.gz PJRXTXZUSBARPG-CMPLNLGQSA-N 1 1 307.354 -1.413 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494316 664271716 /nfs/dbraw/zinc/27/17/16/664271716.db2.gz OBBDJHSIOAMFKS-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC000958494316 664271720 /nfs/dbraw/zinc/27/17/20/664271720.db2.gz OBBDJHSIOAMFKS-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC000958493266 664271884 /nfs/dbraw/zinc/27/18/84/664271884.db2.gz FLHZVRGRMVKNIN-PWSUYJOCSA-N 1 1 310.354 -1.722 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2ncccn2n1 ZINC000958495345 664272194 /nfs/dbraw/zinc/27/21/94/664272194.db2.gz XFSIOQOKDBMWCV-JQWIXIFHSA-N 1 1 305.338 -1.256 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501180 664273530 /nfs/dbraw/zinc/27/35/30/664273530.db2.gz ZZIYZFSDXUEMRU-NWDGAFQWSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccn2)C1)N1CCC1 ZINC000958501180 664273534 /nfs/dbraw/zinc/27/35/34/664273534.db2.gz ZZIYZFSDXUEMRU-NWDGAFQWSA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnon1 ZINC000958506178 664274521 /nfs/dbraw/zinc/27/45/21/664274521.db2.gz BYYWRHPZAMUDAA-MWLCHTKSSA-N 1 1 324.341 -1.883 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC000958505981 664274602 /nfs/dbraw/zinc/27/46/02/664274602.db2.gz BKCLUFAWFHDJPQ-WCQYABFASA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnon1 ZINC000958506927 664274637 /nfs/dbraw/zinc/27/46/37/664274637.db2.gz IFYVSTZFPXYBEZ-CMPLNLGQSA-N 1 1 306.326 -1.011 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC000958505983 664274735 /nfs/dbraw/zinc/27/47/35/664274735.db2.gz BKCLUFAWFHDJPQ-YPMHNXCESA-N 1 1 317.353 -1.209 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507341 664274769 /nfs/dbraw/zinc/27/47/69/664274769.db2.gz OOVUGYDDZCPIHV-JOYOIKCWSA-N 1 1 323.353 -1.287 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507341 664274775 /nfs/dbraw/zinc/27/47/75/664274775.db2.gz OOVUGYDDZCPIHV-JOYOIKCWSA-N 1 1 323.353 -1.287 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nnc[nH]3)C2)cn1 ZINC000958503307 664274806 /nfs/dbraw/zinc/27/48/06/664274806.db2.gz PATJBVGPJOXKAJ-RYUDHWBXSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503307 664274808 /nfs/dbraw/zinc/27/48/08/664274808.db2.gz PATJBVGPJOXKAJ-RYUDHWBXSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3ncn[nH]3)C2)cn1 ZINC000958503307 664274814 /nfs/dbraw/zinc/27/48/14/664274814.db2.gz PATJBVGPJOXKAJ-RYUDHWBXSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503307 664274818 /nfs/dbraw/zinc/27/48/18/664274818.db2.gz PATJBVGPJOXKAJ-RYUDHWBXSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3nc[nH]n3)C2)cn1 ZINC000958503307 664274821 /nfs/dbraw/zinc/27/48/21/664274821.db2.gz PATJBVGPJOXKAJ-RYUDHWBXSA-N 1 1 319.369 -1.197 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC000958507457 664275102 /nfs/dbraw/zinc/27/51/02/664275102.db2.gz QZZMHCZHKVUWIS-QWRGUYRKSA-N 1 1 320.353 -1.471 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnon1 ZINC000958507698 664275384 /nfs/dbraw/zinc/27/53/84/664275384.db2.gz VPHDCDHKNLRYLX-ONGXEEELSA-N 1 1 307.314 -1.616 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1)NC1CC1 ZINC000958512248 664275683 /nfs/dbraw/zinc/27/56/83/664275683.db2.gz MZIZTDMPHRGDDR-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1)NC1CC1 ZINC000958512248 664275687 /nfs/dbraw/zinc/27/56/87/664275687.db2.gz MZIZTDMPHRGDDR-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958519555 664276134 /nfs/dbraw/zinc/27/61/34/664276134.db2.gz LHIDCXDPQDDDDO-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958519555 664276138 /nfs/dbraw/zinc/27/61/38/664276138.db2.gz LHIDCXDPQDDDDO-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513158 664276165 /nfs/dbraw/zinc/27/61/65/664276165.db2.gz VHJZPVDXDLPKOF-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1)N1CCC1 ZINC000958513158 664276166 /nfs/dbraw/zinc/27/61/66/664276166.db2.gz VHJZPVDXDLPKOF-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2F)C1 ZINC000958522726 664276219 /nfs/dbraw/zinc/27/62/19/664276219.db2.gz SDZPNPWITWGXRE-KOLCDFICSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncccc2F)C1 ZINC000958522726 664276222 /nfs/dbraw/zinc/27/62/22/664276222.db2.gz SDZPNPWITWGXRE-KOLCDFICSA-N 1 1 310.329 -1.011 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC000958516419 664276703 /nfs/dbraw/zinc/27/67/03/664276703.db2.gz RJYFJMFLBSXIGI-YPMHNXCESA-N 1 1 317.353 -1.209 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n(C)n1 ZINC000958522848 664276813 /nfs/dbraw/zinc/27/68/13/664276813.db2.gz SYWKNBBXJITWPH-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n(C)n1 ZINC000958522848 664276818 /nfs/dbraw/zinc/27/68/18/664276818.db2.gz SYWKNBBXJITWPH-GWCFXTLKSA-N 1 1 323.397 -1.249 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC000958550466 664277196 /nfs/dbraw/zinc/27/71/96/664277196.db2.gz ADCKUXWIGSEYDZ-ZYHUDNBSSA-N 1 1 324.385 -1.373 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C(C)C)nn2)[C@H](O)C1 ZINC000958550466 664277207 /nfs/dbraw/zinc/27/72/07/664277207.db2.gz ADCKUXWIGSEYDZ-ZYHUDNBSSA-N 1 1 324.385 -1.373 20 0 DAADMO COCc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958552322 664277342 /nfs/dbraw/zinc/27/73/42/664277342.db2.gz SLJPRIDTHKWTFY-SCZZXKLOSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958552322 664277349 /nfs/dbraw/zinc/27/73/49/664277349.db2.gz SLJPRIDTHKWTFY-SCZZXKLOSA-N 1 1 312.326 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526280 664277403 /nfs/dbraw/zinc/27/74/03/664277403.db2.gz OOYAXNHABOBQBC-GXSJLCMTSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000958526280 664277408 /nfs/dbraw/zinc/27/74/08/664277408.db2.gz OOYAXNHABOBQBC-GXSJLCMTSA-N 1 1 323.353 -2.118 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958548176 664277449 /nfs/dbraw/zinc/27/74/49/664277449.db2.gz OKILXGWJLJOATB-JQWIXIFHSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958548176 664277454 /nfs/dbraw/zinc/27/74/54/664277454.db2.gz OKILXGWJLJOATB-JQWIXIFHSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958548178 664277478 /nfs/dbraw/zinc/27/74/78/664277478.db2.gz OKILXGWJLJOATB-ZYHUDNBSSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958548178 664277481 /nfs/dbraw/zinc/27/74/81/664277481.db2.gz OKILXGWJLJOATB-ZYHUDNBSSA-N 1 1 322.365 -1.143 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC000958527383 664277500 /nfs/dbraw/zinc/27/75/00/664277500.db2.gz ZXDXDOLHNRXVIW-AAEUAGOBSA-N 1 1 309.370 -1.297 20 0 DAADMO Cn1ncc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958525408 664277585 /nfs/dbraw/zinc/27/75/85/664277585.db2.gz HVNSDCQLDBEULL-QWHCGFSZSA-N 1 1 319.365 -1.017 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958547800 664277596 /nfs/dbraw/zinc/27/75/96/664277596.db2.gz LRHMRXGUACRVMV-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958547800 664277597 /nfs/dbraw/zinc/27/75/97/664277597.db2.gz LRHMRXGUACRVMV-KOLCDFICSA-N 1 1 310.358 -1.934 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958526283 664277616 /nfs/dbraw/zinc/27/76/16/664277616.db2.gz OOYAXNHABOBQBC-MWLCHTKSSA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958526283 664277618 /nfs/dbraw/zinc/27/76/18/664277618.db2.gz OOYAXNHABOBQBC-MWLCHTKSSA-N 1 1 323.353 -2.118 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)[C@H](O)C1 ZINC000958525841 664277652 /nfs/dbraw/zinc/27/76/52/664277652.db2.gz KOPQJWLBPDBMCR-ZYHUDNBSSA-N 1 1 310.354 -1.218 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958548177 664277684 /nfs/dbraw/zinc/27/76/84/664277684.db2.gz OKILXGWJLJOATB-PWSUYJOCSA-N 1 1 322.365 -1.143 20 0 DAADMO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958548177 664277686 /nfs/dbraw/zinc/27/76/86/664277686.db2.gz OKILXGWJLJOATB-PWSUYJOCSA-N 1 1 322.365 -1.143 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC000958527385 664277928 /nfs/dbraw/zinc/27/79/28/664277928.db2.gz ZXDXDOLHNRXVIW-WCQYABFASA-N 1 1 309.370 -1.297 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556802 664278019 /nfs/dbraw/zinc/27/80/19/664278019.db2.gz WHAVLMLJECECEM-PWSUYJOCSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(OC)n2)C1 ZINC000958556802 664278020 /nfs/dbraw/zinc/27/80/20/664278020.db2.gz WHAVLMLJECECEM-PWSUYJOCSA-N 1 1 322.365 -1.141 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958551774 664278071 /nfs/dbraw/zinc/27/80/71/664278071.db2.gz NIJIOXDICWBGFP-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958551774 664278072 /nfs/dbraw/zinc/27/80/72/664278072.db2.gz NIJIOXDICWBGFP-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO COc1ncc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958563392 664278438 /nfs/dbraw/zinc/27/84/38/664278438.db2.gz MTQRPZMCRGXXJZ-VXGBXAGGSA-N 1 1 310.354 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562872 664278547 /nfs/dbraw/zinc/27/85/47/664278547.db2.gz IQFUTKKVLGZNLD-WDEREUQCSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(OC)nc2)C1 ZINC000958562872 664278551 /nfs/dbraw/zinc/27/85/51/664278551.db2.gz IQFUTKKVLGZNLD-WDEREUQCSA-N 1 1 323.353 -1.746 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958563527 664278766 /nfs/dbraw/zinc/27/87/66/664278766.db2.gz PKHSJHYQJOLKRR-UWVGGRQHSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958563527 664278769 /nfs/dbraw/zinc/27/87/69/664278769.db2.gz PKHSJHYQJOLKRR-UWVGGRQHSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581702 664278821 /nfs/dbraw/zinc/27/88/21/664278821.db2.gz ROOQZPWPNXXTBV-NEPJUHHUSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3nccn3c2)C1 ZINC000958581702 664278825 /nfs/dbraw/zinc/27/88/25/664278825.db2.gz ROOQZPWPNXXTBV-NEPJUHHUSA-N 1 1 317.349 -1.158 20 0 DAADMO Cc1nc2nccc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)n2n1 ZINC000958588159 664279328 /nfs/dbraw/zinc/27/93/28/664279328.db2.gz PYNUOOUMEBCSLG-ZYHUDNBSSA-N 1 1 320.353 -1.552 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O)CCC2 ZINC000958587019 664279469 /nfs/dbraw/zinc/27/94/69/664279469.db2.gz FNZWBQMTQPZGNX-GXFFZTMASA-N 1 1 308.382 -1.076 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC000958587212 664279684 /nfs/dbraw/zinc/27/96/84/664279684.db2.gz HDRIEOJQVRDDRB-KOLCDFICSA-N 1 1 321.337 -1.550 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O)CCC2 ZINC000958586857 664279711 /nfs/dbraw/zinc/27/97/11/664279711.db2.gz DENIQUXCPJEDEA-CABZTGNLSA-N 1 1 321.381 -1.583 20 0 DAADMO Cn1nc2c(c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O)CCC2 ZINC000958586857 664279712 /nfs/dbraw/zinc/27/97/12/664279712.db2.gz DENIQUXCPJEDEA-CABZTGNLSA-N 1 1 321.381 -1.583 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958584049 664279720 /nfs/dbraw/zinc/27/97/20/664279720.db2.gz NYJKPZMMMWTXLI-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958584049 664279723 /nfs/dbraw/zinc/27/97/23/664279723.db2.gz NYJKPZMMMWTXLI-PWSUYJOCSA-N 1 1 309.370 -1.028 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958600081 664280055 /nfs/dbraw/zinc/28/00/55/664280055.db2.gz WRUUQPCAZDHKHR-DGCLKSJQSA-N 1 1 322.365 -1.544 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958593867 664280109 /nfs/dbraw/zinc/28/01/09/664280109.db2.gz CBHXTNXDCDAUFY-ZJUUUORDSA-N 1 1 311.338 -1.189 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c1 ZINC000958594566 664280465 /nfs/dbraw/zinc/28/04/65/664280465.db2.gz JUXTVNJNYWLWKT-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c1 ZINC000958594566 664280468 /nfs/dbraw/zinc/28/04/68/664280468.db2.gz JUXTVNJNYWLWKT-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958593869 664280502 /nfs/dbraw/zinc/28/05/02/664280502.db2.gz CDLPVRHARYBBTA-DTWKUNHWSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958593869 664280504 /nfs/dbraw/zinc/28/05/04/664280504.db2.gz CDLPVRHARYBBTA-DTWKUNHWSA-N 1 1 324.337 -1.696 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958597786 664280612 /nfs/dbraw/zinc/28/06/12/664280612.db2.gz GCFSXTFENURFBK-MWLCHTKSSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958597786 664280614 /nfs/dbraw/zinc/28/06/14/664280614.db2.gz GCFSXTFENURFBK-MWLCHTKSSA-N 1 1 322.369 -1.950 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958593865 664281009 /nfs/dbraw/zinc/28/10/09/664281009.db2.gz CBHXTNXDCDAUFY-UWVGGRQHSA-N 1 1 311.338 -1.189 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958608450 664281602 /nfs/dbraw/zinc/28/16/02/664281602.db2.gz NMDSVGIAYALRMS-NHAGDIPZSA-N 1 1 320.397 -1.343 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC000958608650 664281628 /nfs/dbraw/zinc/28/16/28/664281628.db2.gz VWGVNOVZBAFKOS-CZXHOFHRSA-N 1 1 310.398 -1.371 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958623066 664281852 /nfs/dbraw/zinc/28/18/52/664281852.db2.gz ZJHQANQWDKCCQI-KLBPJQLPSA-N 1 1 320.353 -1.691 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958622073 664282052 /nfs/dbraw/zinc/28/20/52/664282052.db2.gz PCTZGRKVOQOMCC-LOKLDPHHSA-N 1 1 306.326 -2.081 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958621800 664282106 /nfs/dbraw/zinc/28/21/06/664282106.db2.gz MULXFEANXJCLDR-GDGBQDQQSA-N 1 1 308.342 -1.882 20 0 DAADMO COc1cccnc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958621547 664282184 /nfs/dbraw/zinc/28/21/84/664282184.db2.gz BGAOIOFBMHOCDN-NXEZZACHSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1cccnc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958621547 664282187 /nfs/dbraw/zinc/28/21/87/664282187.db2.gz BGAOIOFBMHOCDN-NXEZZACHSA-N 1 1 308.338 -1.402 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000958622187 664282200 /nfs/dbraw/zinc/28/22/00/664282200.db2.gz PUDNVUXEJOCBPC-PJXYFTJBSA-N 1 1 317.353 -1.073 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619665 664282210 /nfs/dbraw/zinc/28/22/10/664282210.db2.gz WYTCJFLAOFGYFQ-KOLCDFICSA-N 1 1 320.353 -1.569 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619665 664282212 /nfs/dbraw/zinc/28/22/12/664282212.db2.gz WYTCJFLAOFGYFQ-KOLCDFICSA-N 1 1 320.353 -1.569 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 ZINC000958617677 664282216 /nfs/dbraw/zinc/28/22/16/664282216.db2.gz FMFFPMXJKVFRKB-PSASIEDQSA-N 1 1 306.326 -1.830 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3cc[nH]c23)[C@H](O)C1 ZINC000958617677 664282219 /nfs/dbraw/zinc/28/22/19/664282219.db2.gz FMFFPMXJKVFRKB-PSASIEDQSA-N 1 1 306.326 -1.830 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958630398 664282499 /nfs/dbraw/zinc/28/24/99/664282499.db2.gz HUUJAAVJYGOKAT-ZWNOBZJWSA-N 1 1 322.365 -1.544 20 0 DAADMO COc1c(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cnn1C ZINC000958625504 664282600 /nfs/dbraw/zinc/28/26/00/664282600.db2.gz KFJPHHMEMJNLGE-CMPLNLGQSA-N 1 1 312.370 -1.166 20 0 DAADMO Cn1nnc2ccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)cc21 ZINC000958625533 664282698 /nfs/dbraw/zinc/28/26/98/664282698.db2.gz KLOGVLYAHANUQS-SMDDNHRTSA-N 1 1 319.365 -1.017 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cnn1C ZINC000958625506 664282724 /nfs/dbraw/zinc/28/27/24/664282724.db2.gz KFJPHHMEMJNLGE-PWSUYJOCSA-N 1 1 312.370 -1.166 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC000958626299 664282744 /nfs/dbraw/zinc/28/27/44/664282744.db2.gz QCRFAWWHWSDPHX-LOKLDPHHSA-N 1 1 308.342 -1.706 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958629353 664282806 /nfs/dbraw/zinc/28/28/06/664282806.db2.gz BCZNGTIUJSKMSX-BDAKNGLRSA-N 1 1 313.333 -1.625 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958629353 664282809 /nfs/dbraw/zinc/28/28/09/664282809.db2.gz BCZNGTIUJSKMSX-BDAKNGLRSA-N 1 1 313.333 -1.625 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958638484 664283089 /nfs/dbraw/zinc/28/30/89/664283089.db2.gz OPULXLJABYUGSC-YTWAJWBKSA-N 1 1 306.370 -1.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639252 664283429 /nfs/dbraw/zinc/28/34/29/664283429.db2.gz AIHZFJMFKIBNAD-NWDGAFQWSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC000958639252 664283430 /nfs/dbraw/zinc/28/34/30/664283430.db2.gz AIHZFJMFKIBNAD-NWDGAFQWSA-N 1 1 322.365 -1.102 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958649713 664283856 /nfs/dbraw/zinc/28/38/56/664283856.db2.gz QITKQPGUUFCOBY-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958649713 664283861 /nfs/dbraw/zinc/28/38/61/664283861.db2.gz QITKQPGUUFCOBY-WCBMZHEXSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC000958649882 664283971 /nfs/dbraw/zinc/28/39/71/664283971.db2.gz RPUJMMYKGPAXOC-ZYHUDNBSSA-N 1 1 310.354 -1.815 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650255 664284017 /nfs/dbraw/zinc/28/40/17/664284017.db2.gz UWAVHNXKHMMRGG-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn3ccccc3n2)C1 ZINC000958650255 664284019 /nfs/dbraw/zinc/28/40/19/664284019.db2.gz UWAVHNXKHMMRGG-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958653805 664284194 /nfs/dbraw/zinc/28/41/94/664284194.db2.gz OEEXHDIRYCSGMA-NXEZZACHSA-N 1 1 323.353 -2.020 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661601 664284720 /nfs/dbraw/zinc/28/47/20/664284720.db2.gz MLTZZNHUBGVADJ-JOYOIKCWSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000958661601 664284725 /nfs/dbraw/zinc/28/47/25/664284725.db2.gz MLTZZNHUBGVADJ-JOYOIKCWSA-N 1 1 318.337 -1.534 20 0 DAADMO CCCn1nc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC000958661559 664284876 /nfs/dbraw/zinc/28/48/76/664284876.db2.gz LVRAZFYYKKOVOI-AAEUAGOBSA-N 1 1 324.381 -1.332 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958654623 664285393 /nfs/dbraw/zinc/28/53/93/664285393.db2.gz UYQDTHVUVLZCMX-IUCAKERBSA-N 1 1 309.326 -2.410 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672384 664286257 /nfs/dbraw/zinc/28/62/57/664286257.db2.gz KYEVCRXYDCRGRQ-WPRPVWTQSA-N 1 1 309.326 -2.379 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958672384 664286260 /nfs/dbraw/zinc/28/62/60/664286260.db2.gz KYEVCRXYDCRGRQ-WPRPVWTQSA-N 1 1 309.326 -2.379 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000958670653 664286360 /nfs/dbraw/zinc/28/63/60/664286360.db2.gz GQAQDTKZCPWQEM-NHAGDIPZSA-N 1 1 320.393 -1.257 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958682829 664286709 /nfs/dbraw/zinc/28/67/09/664286709.db2.gz DBQUVSQTCYCIGB-SKDRFNHKSA-N 1 1 307.354 -1.453 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958682829 664286712 /nfs/dbraw/zinc/28/67/12/664286712.db2.gz DBQUVSQTCYCIGB-SKDRFNHKSA-N 1 1 307.354 -1.453 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958675254 664286767 /nfs/dbraw/zinc/28/67/67/664286767.db2.gz GTMIRNJESHVEKX-WOFXILAISA-N 1 1 308.338 -1.274 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958673840 664286822 /nfs/dbraw/zinc/28/68/22/664286822.db2.gz XLYHFINFCJAMEU-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958673840 664286827 /nfs/dbraw/zinc/28/68/27/664286827.db2.gz XLYHFINFCJAMEU-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958682827 664286846 /nfs/dbraw/zinc/28/68/46/664286846.db2.gz DBQUVSQTCYCIGB-CABZTGNLSA-N 1 1 307.354 -1.453 20 0 DAADMO CCc1ncncc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958682827 664286849 /nfs/dbraw/zinc/28/68/49/664286849.db2.gz DBQUVSQTCYCIGB-CABZTGNLSA-N 1 1 307.354 -1.453 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c[nH]1 ZINC000958683717 664286857 /nfs/dbraw/zinc/28/68/57/664286857.db2.gz HDNRFOJWOSUBEK-JQWIXIFHSA-N 1 1 310.354 -1.482 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958682818 664286864 /nfs/dbraw/zinc/28/68/64/664286864.db2.gz DBQUVSQTCYCIGB-BXKDBHETSA-N 1 1 307.354 -1.453 20 0 DAADMO CCc1ncncc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958682818 664286867 /nfs/dbraw/zinc/28/68/67/664286867.db2.gz DBQUVSQTCYCIGB-BXKDBHETSA-N 1 1 307.354 -1.453 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958677746 664286873 /nfs/dbraw/zinc/28/68/73/664286873.db2.gz UNIWJODQWVDRTQ-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958677810 664286995 /nfs/dbraw/zinc/28/69/95/664286995.db2.gz VUKGDMQKNULRHB-PWSUYJOCSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958677810 664286998 /nfs/dbraw/zinc/28/69/98/664286998.db2.gz VUKGDMQKNULRHB-PWSUYJOCSA-N 1 1 321.381 -1.345 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c[nH]1 ZINC000958683716 664287168 /nfs/dbraw/zinc/28/71/68/664287168.db2.gz HDNRFOJWOSUBEK-CMPLNLGQSA-N 1 1 310.354 -1.482 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958673917 664287179 /nfs/dbraw/zinc/28/71/79/664287179.db2.gz YSKCBVZXLZLQRF-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)n1 ZINC000958673917 664287185 /nfs/dbraw/zinc/28/71/85/664287185.db2.gz YSKCBVZXLZLQRF-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000958673114 664287266 /nfs/dbraw/zinc/28/72/66/664287266.db2.gz QAAMVHCLTAFUJD-PWSUYJOCSA-N 1 1 310.354 -1.218 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC000958694200 664287523 /nfs/dbraw/zinc/28/75/23/664287523.db2.gz JHHSUCRUYNWANO-OLZOCXBDSA-N 1 1 322.365 -1.151 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)cc1=O ZINC000958697750 664287802 /nfs/dbraw/zinc/28/78/02/664287802.db2.gz NRHQPMXULBZFRR-MSRIBSCDSA-N 1 1 320.349 -1.129 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958713528 664287958 /nfs/dbraw/zinc/28/79/58/664287958.db2.gz DQQLGZOIOGWZJX-CMPLNLGQSA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958713570 664288107 /nfs/dbraw/zinc/28/81/07/664288107.db2.gz DXWVETKWKPDAEM-ONGXEEELSA-N 1 1 308.338 -1.805 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958727008 664288327 /nfs/dbraw/zinc/28/83/27/664288327.db2.gz BVNSYEYKGPPVJO-KOLCDFICSA-N 1 1 310.358 -1.804 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)nn1 ZINC000958728351 664288502 /nfs/dbraw/zinc/28/85/02/664288502.db2.gz OATYTVYAUNHRRB-PSASIEDQSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)nn1 ZINC000958728351 664288507 /nfs/dbraw/zinc/28/85/07/664288507.db2.gz OATYTVYAUNHRRB-PSASIEDQSA-N 1 1 314.321 -2.245 20 0 DAADMO NC(=O)c1csc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958726775 664288833 /nfs/dbraw/zinc/28/88/33/664288833.db2.gz AFOODQHJSZPMCU-NXEZZACHSA-N 1 1 313.379 -1.138 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958718523 664288745 /nfs/dbraw/zinc/28/87/45/664288745.db2.gz VSEHQEYMJLIPGX-MNOVXSKESA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958718523 664288747 /nfs/dbraw/zinc/28/87/47/664288747.db2.gz VSEHQEYMJLIPGX-MNOVXSKESA-N 1 1 322.365 -1.088 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717767 664288898 /nfs/dbraw/zinc/28/88/98/664288898.db2.gz QYELXJQIYXCCQZ-WCBMZHEXSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC000958717767 664288901 /nfs/dbraw/zinc/28/89/01/664288901.db2.gz QYELXJQIYXCCQZ-WCBMZHEXSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717082 664288924 /nfs/dbraw/zinc/28/89/24/664288924.db2.gz OXGZKRIOEKQQGP-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717082 664288927 /nfs/dbraw/zinc/28/89/27/664288927.db2.gz OXGZKRIOEKQQGP-JQWIXIFHSA-N 1 1 321.381 -1.273 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1noc2c1COCC2 ZINC000958723576 664288932 /nfs/dbraw/zinc/28/89/32/664288932.db2.gz HTUQLTWQZASBSN-KOLCDFICSA-N 1 1 311.338 -1.238 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)nn1 ZINC000958728898 664289303 /nfs/dbraw/zinc/28/93/03/664289303.db2.gz RIQYGZOAWJIHTO-ZYHUDNBSSA-N 1 1 322.369 -1.804 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC000958735782 664289585 /nfs/dbraw/zinc/28/95/85/664289585.db2.gz FOYGBNJAOYIWHB-ONGXEEELSA-N 1 1 300.334 -1.284 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)n(C)c1=O ZINC000958735782 664289588 /nfs/dbraw/zinc/28/95/88/664289588.db2.gz FOYGBNJAOYIWHB-ONGXEEELSA-N 1 1 300.334 -1.284 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958728616 664289698 /nfs/dbraw/zinc/28/96/98/664289698.db2.gz PQUUJPRQWDOYMN-PWSUYJOCSA-N 1 1 324.385 -1.558 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC000958737146 664290178 /nfs/dbraw/zinc/29/01/78/664290178.db2.gz XVNXKVKIPKQAGH-ZYHUDNBSSA-N 1 1 312.370 -1.607 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958737766 664290247 /nfs/dbraw/zinc/29/02/47/664290247.db2.gz KYHZFBNKKAOFNY-YTWAJWBKSA-N 1 1 323.353 -1.834 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000958741187 664290280 /nfs/dbraw/zinc/29/02/80/664290280.db2.gz CQJDXVROVQZOIX-IAZYJMLFSA-N 1 1 302.342 -1.233 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnnn2C)C1=O ZINC000958741354 664290473 /nfs/dbraw/zinc/29/04/73/664290473.db2.gz GKCFPWODOQAPCH-MIZYBKAJSA-N 1 1 304.354 -1.294 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 ZINC000958744712 664290974 /nfs/dbraw/zinc/29/09/74/664290974.db2.gz UEDJHMJLJXANSO-DGCLKSJQSA-N 1 1 322.365 -1.151 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744713 664291040 /nfs/dbraw/zinc/29/10/40/664291040.db2.gz UEDJHMJLJXANSO-WCQYABFASA-N 1 1 322.365 -1.151 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744714 664291102 /nfs/dbraw/zinc/29/11/02/664291102.db2.gz UEDJHMJLJXANSO-YPMHNXCESA-N 1 1 322.365 -1.151 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)nc1 ZINC000958744002 664291134 /nfs/dbraw/zinc/29/11/34/664291134.db2.gz DNAKGLDKXKNVCU-ZYHUDNBSSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744306 664291156 /nfs/dbraw/zinc/29/11/56/664291156.db2.gz KLSPSLQYCZPQJZ-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744306 664291159 /nfs/dbraw/zinc/29/11/59/664291159.db2.gz KLSPSLQYCZPQJZ-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000958747353 664291427 /nfs/dbraw/zinc/29/14/27/664291427.db2.gz VIKMWKSNGFKUDM-ZRUFSTJUSA-N 1 1 306.326 -1.530 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000958747353 664291428 /nfs/dbraw/zinc/29/14/28/664291428.db2.gz VIKMWKSNGFKUDM-ZRUFSTJUSA-N 1 1 306.326 -1.530 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 ZINC000958749822 664291433 /nfs/dbraw/zinc/29/14/33/664291433.db2.gz ZBMPYBRWCPXUSW-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 ZINC000958749822 664291434 /nfs/dbraw/zinc/29/14/34/664291434.db2.gz ZBMPYBRWCPXUSW-MWLCHTKSSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958748273 664291462 /nfs/dbraw/zinc/29/14/62/664291462.db2.gz KKTPWLNFRYLYGD-WCQYABFASA-N 1 1 322.365 -1.415 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)nn1 ZINC000958756002 664291489 /nfs/dbraw/zinc/29/14/89/664291489.db2.gz IGTUYZIEOGIEHW-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)nn1 ZINC000958756002 664291491 /nfs/dbraw/zinc/29/14/91/664291491.db2.gz IGTUYZIEOGIEHW-IWIIMEHWSA-N 1 1 304.354 -1.246 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958749000 664291515 /nfs/dbraw/zinc/29/15/15/664291515.db2.gz UTWRMHMDQBLPON-ONGXEEELSA-N 1 1 323.353 -1.321 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC000958749000 664291517 /nfs/dbraw/zinc/29/15/17/664291517.db2.gz UTWRMHMDQBLPON-ONGXEEELSA-N 1 1 323.353 -1.321 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1C1CC1 ZINC000958747913 664291763 /nfs/dbraw/zinc/29/17/63/664291763.db2.gz DSMJVMYJAIOEHP-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1C1CC1 ZINC000958747913 664291765 /nfs/dbraw/zinc/29/17/65/664291765.db2.gz DSMJVMYJAIOEHP-PWSUYJOCSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C1CC1 ZINC000958747914 664291775 /nfs/dbraw/zinc/29/17/75/664291775.db2.gz DSMJVMYJAIOEHP-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C1CC1 ZINC000958747914 664291776 /nfs/dbraw/zinc/29/17/76/664291776.db2.gz DSMJVMYJAIOEHP-ZYHUDNBSSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)nn1 ZINC000958756235 664292068 /nfs/dbraw/zinc/29/20/68/664292068.db2.gz KKNHTUYILYJLMJ-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)nn1 ZINC000958756235 664292071 /nfs/dbraw/zinc/29/20/71/664292071.db2.gz KKNHTUYILYJLMJ-IWIIMEHWSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC000958757324 664292186 /nfs/dbraw/zinc/29/21/86/664292186.db2.gz XNLBPKSNTQCDEE-IAZYJMLFSA-N 1 1 319.369 -1.500 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958757985 664292196 /nfs/dbraw/zinc/29/21/96/664292196.db2.gz AKXIVZNUNNUSDP-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958757985 664292199 /nfs/dbraw/zinc/29/21/99/664292199.db2.gz AKXIVZNUNNUSDP-BXKDBHETSA-N 1 1 309.370 -1.510 20 0 DAADMO Cc1nonc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC000958757992 664292386 /nfs/dbraw/zinc/29/23/86/664292386.db2.gz ALDGBLLUZMOVBQ-WDEREUQCSA-N 1 1 321.341 -1.308 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC000958773371 664292581 /nfs/dbraw/zinc/29/25/81/664292581.db2.gz JZTSQWDQLHIGKE-YPMHNXCESA-N 1 1 322.365 -1.415 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958762995 664292724 /nfs/dbraw/zinc/29/27/24/664292724.db2.gz PYMAEGMOENPTGE-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958762995 664292726 /nfs/dbraw/zinc/29/27/26/664292726.db2.gz PYMAEGMOENPTGE-WDEREUQCSA-N 1 1 309.370 -1.171 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770007 664292969 /nfs/dbraw/zinc/29/29/69/664292969.db2.gz LXMGFELYSQADPW-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC000958770007 664292971 /nfs/dbraw/zinc/29/29/71/664292971.db2.gz LXMGFELYSQADPW-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958783153 664293273 /nfs/dbraw/zinc/29/32/73/664293273.db2.gz SQRBOFCWCQUTRD-MIZYBKAJSA-N 1 1 304.354 -1.154 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000958783152 664293348 /nfs/dbraw/zinc/29/33/48/664293348.db2.gz SQRBOFCWCQUTRD-KLBPJQLPSA-N 1 1 304.354 -1.154 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000958787485 664293357 /nfs/dbraw/zinc/29/33/57/664293357.db2.gz OGTVRYACQQVISM-IAZYJMLFSA-N 1 1 304.354 -1.246 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)n1 ZINC000958787485 664293358 /nfs/dbraw/zinc/29/33/58/664293358.db2.gz OGTVRYACQQVISM-IAZYJMLFSA-N 1 1 304.354 -1.246 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000958781870 664293405 /nfs/dbraw/zinc/29/34/05/664293405.db2.gz QUUVGMMAEKGOEX-SRVKXCTJSA-N 1 1 315.370 -2.007 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000958781870 664293407 /nfs/dbraw/zinc/29/34/07/664293407.db2.gz QUUVGMMAEKGOEX-SRVKXCTJSA-N 1 1 315.370 -2.007 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000958885794 664298499 /nfs/dbraw/zinc/29/84/99/664298499.db2.gz FWXSCKWDLDDZRC-USWWRNFRSA-N 1 1 322.369 -1.600 20 0 DAADMO COCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000958893630 664299450 /nfs/dbraw/zinc/29/94/50/664299450.db2.gz JPMBGZABSTUWCO-RYUDHWBXSA-N 1 1 310.354 -1.132 20 0 DAADMO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958896419 664299783 /nfs/dbraw/zinc/29/97/83/664299783.db2.gz YXQXGEKYMLFOSW-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)[nH]1 ZINC000959843788 664311578 /nfs/dbraw/zinc/31/15/78/664311578.db2.gz DLNVHRXHQGMUTD-BBGACYKPSA-N 1 1 318.381 -1.067 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n[nH]1 ZINC000959843788 664311579 /nfs/dbraw/zinc/31/15/79/664311579.db2.gz DLNVHRXHQGMUTD-BBGACYKPSA-N 1 1 318.381 -1.067 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)n[nH]1 ZINC000959843788 664311582 /nfs/dbraw/zinc/31/15/82/664311582.db2.gz DLNVHRXHQGMUTD-BBGACYKPSA-N 1 1 318.381 -1.067 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)nn1 ZINC000959848140 664312134 /nfs/dbraw/zinc/31/21/34/664312134.db2.gz QKJFZNGVBUXGRU-PJXYFTJBSA-N 1 1 309.370 -1.033 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)nn1 ZINC000959880685 664312606 /nfs/dbraw/zinc/31/26/06/664312606.db2.gz QQCGRYUTYQOIER-DCQANWLSSA-N 1 1 309.370 -1.035 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000959895148 664312637 /nfs/dbraw/zinc/31/26/37/664312637.db2.gz PJQZLMQVKFIHJY-WOFXILAISA-N 1 1 322.365 -1.697 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000959895148 664312641 /nfs/dbraw/zinc/31/26/41/664312641.db2.gz PJQZLMQVKFIHJY-WOFXILAISA-N 1 1 322.365 -1.697 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000959889904 664312751 /nfs/dbraw/zinc/31/27/51/664312751.db2.gz CSEAERYPDUNPBL-IWIIMEHWSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000959889904 664312754 /nfs/dbraw/zinc/31/27/54/664312754.db2.gz CSEAERYPDUNPBL-IWIIMEHWSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000959904015 664313166 /nfs/dbraw/zinc/31/31/66/664313166.db2.gz VOYNEAFKHKYXPV-KLBPJQLPSA-N 1 1 305.342 -2.002 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959910435 664313590 /nfs/dbraw/zinc/31/35/90/664313590.db2.gz JOZFKFLGHRRSHW-MVVXRAEJSA-N 1 1 319.369 -1.613 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967946 664314013 /nfs/dbraw/zinc/31/40/13/664314013.db2.gz PWIGQDSPVYGFDJ-REIXXSIJSA-N 1 1 308.342 -2.196 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967355 664314017 /nfs/dbraw/zinc/31/40/17/664314017.db2.gz PADGXFAMYTYEHR-QHOPCYEYSA-N 1 1 321.341 -2.703 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC000959967355 664314020 /nfs/dbraw/zinc/31/40/20/664314020.db2.gz PADGXFAMYTYEHR-QHOPCYEYSA-N 1 1 321.341 -2.703 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2ncnn2)nn1 ZINC000960011213 664314609 /nfs/dbraw/zinc/31/46/09/664314609.db2.gz BGXXTGVYYVAAMM-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC000960106495 664315044 /nfs/dbraw/zinc/31/50/44/664315044.db2.gz RIYNUEPUXXGHOD-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2nccn2)C1=O ZINC000960110070 664315721 /nfs/dbraw/zinc/31/57/21/664315721.db2.gz IOHHZXJPXIAJGI-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]21 ZINC000960136500 664316254 /nfs/dbraw/zinc/31/62/54/664316254.db2.gz RHGSDOSOFHSHGJ-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000960166146 664316616 /nfs/dbraw/zinc/31/66/16/664316616.db2.gz LRTCKKDFIOHFQG-RBQUTUCGSA-N 1 1 322.365 -1.684 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000960166146 664316618 /nfs/dbraw/zinc/31/66/18/664316618.db2.gz LRTCKKDFIOHFQG-RBQUTUCGSA-N 1 1 322.365 -1.684 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC000960177033 664317042 /nfs/dbraw/zinc/31/70/42/664317042.db2.gz UZQCANJSONZODD-WOFXILAISA-N 1 1 321.337 -2.921 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC000960177033 664317044 /nfs/dbraw/zinc/31/70/44/664317044.db2.gz UZQCANJSONZODD-WOFXILAISA-N 1 1 321.337 -2.921 20 0 DAADMO CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1=O ZINC000960173665 664317297 /nfs/dbraw/zinc/31/72/97/664317297.db2.gz GGUVFOKITPAMFS-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C2CC2)nn1 ZINC000960275903 664317876 /nfs/dbraw/zinc/31/78/76/664317876.db2.gz WHKHSBZRARQEOC-HBYGRHMLSA-N 1 1 318.381 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C2CC2)nn1 ZINC000960275903 664317878 /nfs/dbraw/zinc/31/78/78/664317878.db2.gz WHKHSBZRARQEOC-HBYGRHMLSA-N 1 1 318.381 -1.052 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC000960254525 664317921 /nfs/dbraw/zinc/31/79/21/664317921.db2.gz IBQKOVADKJGMFS-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC000960254525 664317924 /nfs/dbraw/zinc/31/79/24/664317924.db2.gz IBQKOVADKJGMFS-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000960257011 664318012 /nfs/dbraw/zinc/31/80/12/664318012.db2.gz RVEYXOAEPMOEEV-NMKXLXIOSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960256099 664318123 /nfs/dbraw/zinc/31/81/23/664318123.db2.gz PUTCNQRPWCHCQP-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000960256099 664318128 /nfs/dbraw/zinc/31/81/28/664318128.db2.gz PUTCNQRPWCHCQP-APAOZMKASA-N 1 1 320.393 -1.162 20 0 DAADMO NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCNC1=O ZINC000960299463 664318627 /nfs/dbraw/zinc/31/86/27/664318627.db2.gz LZVQYIFBZAWFRM-QJPTWQEYSA-N 1 1 302.334 -1.268 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC000960331970 664319276 /nfs/dbraw/zinc/31/92/76/664319276.db2.gz ZVZMMUPKIPWSNV-PFWNZEGQSA-N 1 1 319.365 -1.296 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000960344960 664319298 /nfs/dbraw/zinc/31/92/98/664319298.db2.gz INYBHWHMOSOBCA-KIKITERTSA-N 1 1 323.353 -2.281 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCCNC1=O ZINC000960379413 664319715 /nfs/dbraw/zinc/31/97/15/664319715.db2.gz CEBKUWURMORXMG-NDBYEHHHSA-N 1 1 318.381 -1.149 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC000960379631 664319779 /nfs/dbraw/zinc/31/97/79/664319779.db2.gz CQJQSHSGNJDAKA-WUHRBBMRSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC000960379631 664319781 /nfs/dbraw/zinc/31/97/81/664319781.db2.gz CQJQSHSGNJDAKA-WUHRBBMRSA-N 1 1 318.381 -1.112 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1CCCNC1=O ZINC000960379431 664319789 /nfs/dbraw/zinc/31/97/89/664319789.db2.gz CEBKUWURMORXMG-WUHRBBMRSA-N 1 1 318.381 -1.149 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC000960353679 664319816 /nfs/dbraw/zinc/31/98/16/664319816.db2.gz LTWWOTINIJEMEO-BJUWDHJGSA-N 1 1 311.382 -1.075 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC000960415320 664320279 /nfs/dbraw/zinc/32/02/79/664320279.db2.gz KBUYLVRAUFGKGZ-WDEREUQCSA-N 1 1 321.337 -1.885 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C[C@H]2CCCN2C(=O)Cn2cnnn2)C1=O ZINC000960406059 664320378 /nfs/dbraw/zinc/32/03/78/664320378.db2.gz GODXJXRLZVTZFK-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC ZINC000960461988 664320706 /nfs/dbraw/zinc/32/07/06/664320706.db2.gz HLPJXIAVDWOXRU-YABSGUDNSA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC ZINC000960461988 664320710 /nfs/dbraw/zinc/32/07/10/664320710.db2.gz HLPJXIAVDWOXRU-YABSGUDNSA-N 1 1 321.381 -1.065 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC000960471129 664320740 /nfs/dbraw/zinc/32/07/40/664320740.db2.gz IFXPQRMWNOAMMH-SNXWAXQRSA-N 1 1 305.338 -1.023 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)c1cnc[nH]c1=O ZINC000960480602 664320926 /nfs/dbraw/zinc/32/09/26/664320926.db2.gz RMCGXSXKVWXQEC-ZRUFSTJUSA-N 1 1 303.322 -1.269 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC000960501324 664321397 /nfs/dbraw/zinc/32/13/97/664321397.db2.gz VNFPKPHGTDGLQT-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](CC(=O)N1CCO[C@@H]2CN(C(=O)C(N)=O)C[C@@H]21)C1CCC1 ZINC000960530853 664321516 /nfs/dbraw/zinc/32/15/16/664321516.db2.gz BPRQOFQVEOMTEC-NWDGAFQWSA-N 1 1 324.381 -1.606 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000960621435 664321839 /nfs/dbraw/zinc/32/18/39/664321839.db2.gz KGUIWWLZGYGGOX-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000960621435 664321844 /nfs/dbraw/zinc/32/18/44/664321844.db2.gz KGUIWWLZGYGGOX-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000960629328 664321902 /nfs/dbraw/zinc/32/19/02/664321902.db2.gz MLBOBUNOOLLLQF-CZXHOFHRSA-N 1 1 316.361 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645393 664322228 /nfs/dbraw/zinc/32/22/28/664322228.db2.gz GKQZIAZLKDSNBY-WYOJIJJFSA-N 1 1 308.342 -2.498 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000960645393 664322232 /nfs/dbraw/zinc/32/22/32/664322232.db2.gz GKQZIAZLKDSNBY-WYOJIJJFSA-N 1 1 308.342 -2.498 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN2C(=O)Cn2ncnn2)C1=O ZINC000960650038 664322404 /nfs/dbraw/zinc/32/24/04/664322404.db2.gz ACSMIXGICPGKJE-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960633382 664322479 /nfs/dbraw/zinc/32/24/79/664322479.db2.gz ZMVGUEIWZAOAKL-PUHVVEEASA-N 1 1 323.397 -2.319 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960633382 664322481 /nfs/dbraw/zinc/32/24/81/664322481.db2.gz ZMVGUEIWZAOAKL-PUHVVEEASA-N 1 1 323.397 -2.319 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960659416 664322985 /nfs/dbraw/zinc/32/29/85/664322985.db2.gz VGCQEVPLSGFFQN-WOFXILAISA-N 1 1 307.354 -1.288 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960659416 664322987 /nfs/dbraw/zinc/32/29/87/664322987.db2.gz VGCQEVPLSGFFQN-WOFXILAISA-N 1 1 307.354 -1.288 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000960670596 664323103 /nfs/dbraw/zinc/32/31/03/664323103.db2.gz AWCGVELAQVUCIO-VROVMSAKSA-N 1 1 316.321 -1.191 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000960670596 664323106 /nfs/dbraw/zinc/32/31/06/664323106.db2.gz AWCGVELAQVUCIO-VROVMSAKSA-N 1 1 316.321 -1.191 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC000960704491 664323475 /nfs/dbraw/zinc/32/34/75/664323475.db2.gz NHIGVIITWFNQMO-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC000960704491 664323476 /nfs/dbraw/zinc/32/34/76/664323476.db2.gz NHIGVIITWFNQMO-PQFRYHKHSA-N 1 1 318.381 -1.112 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC000960729615 664323726 /nfs/dbraw/zinc/32/37/26/664323726.db2.gz MMOXDQDUKOQUHI-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960833453 664325506 /nfs/dbraw/zinc/32/55/06/664325506.db2.gz WTPSBXZKUHXGBU-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC000960833453 664325511 /nfs/dbraw/zinc/32/55/11/664325511.db2.gz WTPSBXZKUHXGBU-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000960850469 664325861 /nfs/dbraw/zinc/32/58/61/664325861.db2.gz FFQJGIURYVOASI-IWIIMEHWSA-N 1 1 308.338 -1.622 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960860398 664326564 /nfs/dbraw/zinc/32/65/64/664326564.db2.gz KTRDHMUPEASVAY-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)CC[N@H+]1C ZINC000960864377 664326928 /nfs/dbraw/zinc/32/69/28/664326928.db2.gz MNPPCNSYERIHJZ-WISYIIOYSA-N 1 1 324.381 -1.750 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CCn1cnnn1)[C@H]1CCNC1=O ZINC000960936495 664328301 /nfs/dbraw/zinc/32/83/01/664328301.db2.gz CMFRSVHUCXAFOP-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC000960945026 664328312 /nfs/dbraw/zinc/32/83/12/664328312.db2.gz DTWCZPPJSJJOPM-OZWUEAAUSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(=O)N1 ZINC000960945026 664328313 /nfs/dbraw/zinc/32/83/13/664328313.db2.gz DTWCZPPJSJJOPM-OZWUEAAUSA-N 1 1 308.382 -1.162 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961090828 664332350 /nfs/dbraw/zinc/33/23/50/664332350.db2.gz LSDOCDOCJDBOIP-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961090828 664332353 /nfs/dbraw/zinc/33/23/53/664332353.db2.gz LSDOCDOCJDBOIP-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000961107196 664332782 /nfs/dbraw/zinc/33/27/82/664332782.db2.gz XCBCTAWQNUDQNU-VXGBXAGGSA-N 1 1 321.385 -1.281 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)C1 ZINC000961139676 664333749 /nfs/dbraw/zinc/33/37/49/664333749.db2.gz HDWSRZIGEILQDH-VWYCJHECSA-N 1 1 317.361 -1.247 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)C1 ZINC000961139676 664333751 /nfs/dbraw/zinc/33/37/51/664333751.db2.gz HDWSRZIGEILQDH-VWYCJHECSA-N 1 1 317.361 -1.247 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC000961178909 664334122 /nfs/dbraw/zinc/33/41/22/664334122.db2.gz XMZWBHMCXZRBAM-YABSGUDNSA-N 1 1 316.369 -1.038 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000961161278 664334141 /nfs/dbraw/zinc/33/41/41/664334141.db2.gz YHSHQXVRQVROOL-NEPJUHHUSA-N 1 1 321.385 -1.281 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961208836 664334829 /nfs/dbraw/zinc/33/48/29/664334829.db2.gz OJSKKVGTIHYLPK-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)CC(N)=O)C[C@H]3C2)C1 ZINC000961208836 664334831 /nfs/dbraw/zinc/33/48/31/664334831.db2.gz OJSKKVGTIHYLPK-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC000961221022 664335117 /nfs/dbraw/zinc/33/51/17/664335117.db2.gz UYNSHRVTUDXLKN-MNOVXSKESA-N 1 1 321.385 -1.131 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3cnccn3)[C@@H](O)C2)C1 ZINC000961279023 664336379 /nfs/dbraw/zinc/33/63/79/664336379.db2.gz YDNFUHGIOXVNOQ-UHTWSYAYSA-N 1 1 319.365 -1.270 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961265325 664336396 /nfs/dbraw/zinc/33/63/96/664336396.db2.gz MXBTUGTXRQZXLI-APOZVJGGSA-N 1 1 305.338 -1.686 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961277839 664336530 /nfs/dbraw/zinc/33/65/30/664336530.db2.gz GNGPTSKDUYYEOE-QSUOTRRRSA-N 1 1 320.393 -1.619 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000961317588 664336914 /nfs/dbraw/zinc/33/69/14/664336914.db2.gz YSHGPDJDGLLRDK-KZVDOYCCSA-N 1 1 318.381 -1.225 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000961316136 664336983 /nfs/dbraw/zinc/33/69/83/664336983.db2.gz BPVKOMHPAZLVBY-WKKWAXIPSA-N 1 1 323.393 -1.170 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000961316136 664336986 /nfs/dbraw/zinc/33/69/86/664336986.db2.gz BPVKOMHPAZLVBY-WKKWAXIPSA-N 1 1 323.393 -1.170 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)nn1 ZINC000961313801 664337087 /nfs/dbraw/zinc/33/70/87/664337087.db2.gz OPYGISWSYYYWBJ-JYAVWHMHSA-N 1 1 320.397 -1.025 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000961331664 664337526 /nfs/dbraw/zinc/33/75/26/664337526.db2.gz QBWVMINCAQSMCV-MIZYBKAJSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CNC(=O)C1 ZINC000961328979 664337556 /nfs/dbraw/zinc/33/75/56/664337556.db2.gz BHSKDKKGPDEQBG-MDHDOXDCSA-N 1 1 318.381 -1.149 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC000961352827 664337565 /nfs/dbraw/zinc/33/75/65/664337565.db2.gz ZTKFBDVRZOZQPN-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)CC1 ZINC000961352827 664337567 /nfs/dbraw/zinc/33/75/67/664337567.db2.gz ZTKFBDVRZOZQPN-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC000961352826 664337730 /nfs/dbraw/zinc/33/77/30/664337730.db2.gz ZTKFBDVRZOZQPN-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC000961352826 664337731 /nfs/dbraw/zinc/33/77/31/664337731.db2.gz ZTKFBDVRZOZQPN-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1COCCN1CC(F)F ZINC000961377928 664338184 /nfs/dbraw/zinc/33/81/84/664338184.db2.gz XZECVBPHLKDTMG-XZUYRWCXSA-N 1 1 319.352 -1.009 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC000961429142 664339749 /nfs/dbraw/zinc/33/97/49/664339749.db2.gz IKMUFCVSRXVTSX-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC000961424814 664339798 /nfs/dbraw/zinc/33/97/98/664339798.db2.gz XTMKMEAKIXNAIM-AXFHLTTASA-N 1 1 323.357 -2.687 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961436601 664339813 /nfs/dbraw/zinc/33/98/13/664339813.db2.gz BFYCSGWHCHLIFC-KIKITERTSA-N 1 1 318.337 -1.422 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961443655 664340580 /nfs/dbraw/zinc/34/05/80/664340580.db2.gz AQYMWFRUQKOOPT-REIXXSIJSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961443655 664340582 /nfs/dbraw/zinc/34/05/82/664340582.db2.gz AQYMWFRUQKOOPT-REIXXSIJSA-N 1 1 307.354 -1.038 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961447397 664341169 /nfs/dbraw/zinc/34/11/69/664341169.db2.gz FMOFMBFOJCRMMP-BXSSEVMYSA-N 1 1 315.337 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961447397 664341174 /nfs/dbraw/zinc/34/11/74/664341174.db2.gz FMOFMBFOJCRMMP-BXSSEVMYSA-N 1 1 315.337 -1.342 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)N1CCCC1 ZINC000961450915 664341446 /nfs/dbraw/zinc/34/14/46/664341446.db2.gz DOPDPBKMFKCVOW-CIQGVGRVSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC000961453030 664341456 /nfs/dbraw/zinc/34/14/56/664341456.db2.gz LXNQSMKKINLEOY-MEWQQHAOSA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC000961453030 664341459 /nfs/dbraw/zinc/34/14/59/664341459.db2.gz LXNQSMKKINLEOY-MEWQQHAOSA-N 1 1 306.366 -1.553 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961455824 664341470 /nfs/dbraw/zinc/34/14/70/664341470.db2.gz GEJNKHJTPKUOOQ-GDGBQDQQSA-N 1 1 301.310 -1.730 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961455824 664341472 /nfs/dbraw/zinc/34/14/72/664341472.db2.gz GEJNKHJTPKUOOQ-GDGBQDQQSA-N 1 1 301.310 -1.730 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000961451499 664341534 /nfs/dbraw/zinc/34/15/34/664341534.db2.gz HSVLVMXDLMHSJU-NNYUYHANSA-N 1 1 304.354 -1.502 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC000961451499 664341537 /nfs/dbraw/zinc/34/15/37/664341537.db2.gz HSVLVMXDLMHSJU-NNYUYHANSA-N 1 1 304.354 -1.502 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)N1CCCC1 ZINC000961450916 664341581 /nfs/dbraw/zinc/34/15/81/664341581.db2.gz DOPDPBKMFKCVOW-NMKXLXIOSA-N 1 1 320.393 -1.209 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961451561 664341819 /nfs/dbraw/zinc/34/18/19/664341819.db2.gz RFOYNZDBCUWAMM-BSJXLVFVSA-N 1 1 319.365 -1.023 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961465760 664342293 /nfs/dbraw/zinc/34/22/93/664342293.db2.gz PXHQDQLANAPZSP-IWIIMEHWSA-N 1 1 315.337 -1.470 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2nnnc2c1 ZINC000961465760 664342296 /nfs/dbraw/zinc/34/22/96/664342296.db2.gz PXHQDQLANAPZSP-IWIIMEHWSA-N 1 1 315.337 -1.470 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)NC1=O ZINC000961465854 664342431 /nfs/dbraw/zinc/34/24/31/664342431.db2.gz JDKKMQQEPCWOCF-QNWHQSFQSA-N 1 1 318.381 -1.047 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000961475892 664342834 /nfs/dbraw/zinc/34/28/34/664342834.db2.gz FBVQSNIMUQHJJL-FOCJUVANSA-N 1 1 322.409 -1.499 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000961475888 664342958 /nfs/dbraw/zinc/34/29/58/664342958.db2.gz FBVQSNIMUQHJJL-BCUIYNNISA-N 1 1 322.409 -1.499 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CCNC1=O ZINC000961482689 664343247 /nfs/dbraw/zinc/34/32/47/664343247.db2.gz PQVDJFMJKRWLGR-WYUUTHIRSA-N 1 1 304.354 -1.539 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC000961482133 664343354 /nfs/dbraw/zinc/34/33/54/664343354.db2.gz TYBQCHKLCAHOMJ-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC000961482133 664343358 /nfs/dbraw/zinc/34/33/58/664343358.db2.gz TYBQCHKLCAHOMJ-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961483073 664343421 /nfs/dbraw/zinc/34/34/21/664343421.db2.gz WXYAVUMRMVLSCE-KZWBYHQPSA-N 1 1 323.397 -2.401 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)n1 ZINC000961496535 664343759 /nfs/dbraw/zinc/34/37/59/664343759.db2.gz HFHSRRJCCJMRMP-MYJAWHEDSA-N 1 1 303.330 -1.838 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnn(C)n2)cn1 ZINC000961496477 664343793 /nfs/dbraw/zinc/34/37/93/664343793.db2.gz GHZQLHHEGHUNGW-GDNZZTSVSA-N 1 1 316.369 -1.154 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)n1 ZINC000961505800 664344305 /nfs/dbraw/zinc/34/43/05/664344305.db2.gz PCPCSIJLTVNJGD-RGOKHQFPSA-N 1 1 305.342 -1.851 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)C1 ZINC000961528342 664344828 /nfs/dbraw/zinc/34/48/28/664344828.db2.gz JXPJICACTRUFQU-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)C1 ZINC000961528342 664344830 /nfs/dbraw/zinc/34/48/30/664344830.db2.gz JXPJICACTRUFQU-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)C1 ZINC000961528343 664345023 /nfs/dbraw/zinc/34/50/23/664345023.db2.gz JXPJICACTRUFQU-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)C1 ZINC000961528343 664345025 /nfs/dbraw/zinc/34/50/25/664345025.db2.gz JXPJICACTRUFQU-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961602831 664347658 /nfs/dbraw/zinc/34/76/58/664347658.db2.gz VHXRPGQXCXWLGI-LFNDISMMSA-N 1 1 318.381 -1.548 20 0 DAADMO Cn1nnc2c1C[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CC(N)=O)C[C@H]31)CC2 ZINC000961602831 664347661 /nfs/dbraw/zinc/34/76/61/664347661.db2.gz VHXRPGQXCXWLGI-LFNDISMMSA-N 1 1 318.381 -1.548 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000961608820 664347708 /nfs/dbraw/zinc/34/77/08/664347708.db2.gz RFLVKQBMICHMOF-IIDWOEFGSA-N 1 1 316.321 -1.191 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000961608820 664347711 /nfs/dbraw/zinc/34/77/11/664347711.db2.gz RFLVKQBMICHMOF-IIDWOEFGSA-N 1 1 316.321 -1.191 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1)N1CCC1 ZINC000961619326 664347917 /nfs/dbraw/zinc/34/79/17/664347917.db2.gz BKGAFDHUPRWUGR-MSRIBSCDSA-N 1 1 317.349 -1.338 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961619190 664347923 /nfs/dbraw/zinc/34/79/23/664347923.db2.gz AHOHLBUVUQFBOH-CCCLYZFWSA-N 1 1 305.338 -1.306 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC000961628224 664348265 /nfs/dbraw/zinc/34/82/65/664348265.db2.gz KPHYWGUWXWNXGK-XQHKEYJVSA-N 1 1 318.381 -1.044 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961628221 664348509 /nfs/dbraw/zinc/34/85/09/664348509.db2.gz KPHYWGUWXWNXGK-QNWHQSFQSA-N 1 1 318.381 -1.044 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC000961628309 664348703 /nfs/dbraw/zinc/34/87/03/664348703.db2.gz LMTSOGKXUATJAF-KLBPJQLPSA-N 1 1 307.354 -2.007 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC000961628309 664348704 /nfs/dbraw/zinc/34/87/04/664348704.db2.gz LMTSOGKXUATJAF-KLBPJQLPSA-N 1 1 307.354 -2.007 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC000961629557 664348733 /nfs/dbraw/zinc/34/87/33/664348733.db2.gz XEAMITBCNBQHCG-XBWDGYHZSA-N 1 1 305.338 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3nccnc3N)C2)n1 ZINC000961645783 664350612 /nfs/dbraw/zinc/35/06/12/664350612.db2.gz GSUNGTONUVFEPM-UHFFFAOYSA-N 1 1 317.357 -1.120 20 0 DAADMO Cc1csc(=O)n1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961654610 664350672 /nfs/dbraw/zinc/35/06/72/664350672.db2.gz FOVZNINWFSPTKG-MYJAWHEDSA-N 1 1 310.379 -1.250 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC000961652101 664350691 /nfs/dbraw/zinc/35/06/91/664350691.db2.gz WHUUJYVBHQREHX-AXTSPUMRSA-N 1 1 301.368 -2.047 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CCO1 ZINC000961660758 664351030 /nfs/dbraw/zinc/35/10/30/664351030.db2.gz SHZHQPQXDPKBHN-SVDPJWKOSA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CCO1 ZINC000961660758 664351032 /nfs/dbraw/zinc/35/10/32/664351032.db2.gz SHZHQPQXDPKBHN-SVDPJWKOSA-N 1 1 310.354 -2.235 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000961662609 664351626 /nfs/dbraw/zinc/35/16/26/664351626.db2.gz WKEDFIRVRAUPNG-WHOHXGKFSA-N 1 1 306.366 -1.329 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC000961669809 664351716 /nfs/dbraw/zinc/35/17/16/664351716.db2.gz BWPVNLUIGNUHNZ-NEPJUHHUSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)C1 ZINC000961669828 664351739 /nfs/dbraw/zinc/35/17/39/664351739.db2.gz CIUDZIFQIVMNSK-JLLWLGSASA-N 1 1 307.354 -1.337 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC000961682170 664352129 /nfs/dbraw/zinc/35/21/29/664352129.db2.gz SGFOBSCMJZHERU-WYOJIJJFSA-N 1 1 307.354 -1.080 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961682780 664352377 /nfs/dbraw/zinc/35/23/77/664352377.db2.gz ROGMRJWIGIHMCF-TUAOUCFPSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961682780 664352380 /nfs/dbraw/zinc/35/23/80/664352380.db2.gz ROGMRJWIGIHMCF-TUAOUCFPSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961682779 664352508 /nfs/dbraw/zinc/35/25/08/664352508.db2.gz ROGMRJWIGIHMCF-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1 ZINC000961682779 664352511 /nfs/dbraw/zinc/35/25/11/664352511.db2.gz ROGMRJWIGIHMCF-GRYCIOLGSA-N 1 1 324.381 -1.891 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)[nH]c1=O ZINC000961681728 664352517 /nfs/dbraw/zinc/35/25/17/664352517.db2.gz POEWXGZVOHDHCK-GISOBZBCSA-N 1 1 305.338 -1.326 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000961681728 664352523 /nfs/dbraw/zinc/35/25/23/664352523.db2.gz POEWXGZVOHDHCK-GISOBZBCSA-N 1 1 305.338 -1.326 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)=NC1=O ZINC000961681728 664352525 /nfs/dbraw/zinc/35/25/25/664352525.db2.gz POEWXGZVOHDHCK-GISOBZBCSA-N 1 1 305.338 -1.326 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC000961741779 664354986 /nfs/dbraw/zinc/35/49/86/664354986.db2.gz FAURNDATFAHVFS-YFCNSXCBSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCNC1=O ZINC000961741779 664354989 /nfs/dbraw/zinc/35/49/89/664354989.db2.gz FAURNDATFAHVFS-YFCNSXCBSA-N 1 1 318.381 -1.112 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CCNC1=O ZINC000961741030 664355015 /nfs/dbraw/zinc/35/50/15/664355015.db2.gz CZIRUGVHKWCJAG-IQDSPRDJSA-N 1 1 320.393 -1.209 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000961749086 664355325 /nfs/dbraw/zinc/35/53/25/664355325.db2.gz YMPXTKIYCGSKRZ-BRPSZJMVSA-N 1 1 317.346 -1.313 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000961749086 664355329 /nfs/dbraw/zinc/35/53/29/664355329.db2.gz YMPXTKIYCGSKRZ-BRPSZJMVSA-N 1 1 317.346 -1.313 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961753449 664355906 /nfs/dbraw/zinc/35/59/06/664355906.db2.gz FALXSOFHPFZTRI-JLLWLGSASA-N 1 1 308.338 -1.072 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)[nH]n1 ZINC000961764408 664356031 /nfs/dbraw/zinc/35/60/31/664356031.db2.gz FOHBFBXROXCDSC-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CCNC1=O ZINC000961753234 664356075 /nfs/dbraw/zinc/35/60/75/664356075.db2.gz VZKAJRUUMZHWED-YFCNSXCBSA-N 1 1 318.381 -1.149 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961778609 664356500 /nfs/dbraw/zinc/35/65/00/664356500.db2.gz GBHWEZMXYKZLOI-OQEOFVATSA-N 1 1 306.366 -1.567 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000961778609 664356504 /nfs/dbraw/zinc/35/65/04/664356504.db2.gz GBHWEZMXYKZLOI-OQEOFVATSA-N 1 1 306.366 -1.567 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccn2ccnc12 ZINC000961806672 664357414 /nfs/dbraw/zinc/35/74/14/664357414.db2.gz AWXOYKJGLLKHGG-JZYVYDRUSA-N 1 1 300.322 -1.125 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccn2ccnc12 ZINC000961806672 664357415 /nfs/dbraw/zinc/35/74/15/664357415.db2.gz AWXOYKJGLLKHGG-JZYVYDRUSA-N 1 1 300.322 -1.125 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC000961827636 664357818 /nfs/dbraw/zinc/35/78/18/664357818.db2.gz FERGUZXFOLLGAR-UPJWGTAASA-N 1 1 322.365 -1.084 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)Cn3ncnn3)C2)n1 ZINC000961843451 664358532 /nfs/dbraw/zinc/35/85/32/664358532.db2.gz VYYQUGBCETUFCN-UHFFFAOYSA-N 1 1 306.334 -2.119 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)O1 ZINC000961844959 664358540 /nfs/dbraw/zinc/35/85/40/664358540.db2.gz NHXONCDJISNUHL-WISYIIOYSA-N 1 1 324.381 -1.892 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)O1 ZINC000961844959 664358544 /nfs/dbraw/zinc/35/85/44/664358544.db2.gz NHXONCDJISNUHL-WISYIIOYSA-N 1 1 324.381 -1.892 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000961847177 664358684 /nfs/dbraw/zinc/35/86/84/664358684.db2.gz PAGLZBUKHCRBAS-QISWUMQESA-N 1 1 319.369 -1.843 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000961847177 664358687 /nfs/dbraw/zinc/35/86/87/664358687.db2.gz PAGLZBUKHCRBAS-QISWUMQESA-N 1 1 319.369 -1.843 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCCS(=O)(=O)C1 ZINC000961913263 664360761 /nfs/dbraw/zinc/36/07/61/664360761.db2.gz TWKGXWZZOGYSCJ-WYUUTHIRSA-N 1 1 302.396 -1.150 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCCS(=O)(=O)C1 ZINC000961913263 664360764 /nfs/dbraw/zinc/36/07/64/664360764.db2.gz TWKGXWZZOGYSCJ-WYUUTHIRSA-N 1 1 302.396 -1.150 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC000961927390 664361326 /nfs/dbraw/zinc/36/13/26/664361326.db2.gz GTXJJYZHWZTVST-RTXFEEFZSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000961927585 664361357 /nfs/dbraw/zinc/36/13/57/664361357.db2.gz ICYOYSPQAVGTFN-MXWKQRLJSA-N 1 1 309.326 -1.535 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000961917118 664361386 /nfs/dbraw/zinc/36/13/86/664361386.db2.gz RVLTYJWDOBCTFU-KIKITERTSA-N 1 1 323.353 -2.281 20 0 DAADMO Cn1nccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961923349 664361607 /nfs/dbraw/zinc/36/16/07/664361607.db2.gz JZIVJLJHOJCVST-MDZLAQPJSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961927448 664361820 /nfs/dbraw/zinc/36/18/20/664361820.db2.gz HKNSJVNQRODKGO-VWYCJHECSA-N 1 1 322.369 -1.789 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC000961930359 664362039 /nfs/dbraw/zinc/36/20/39/664362039.db2.gz DSVNZLPTOJDVNV-MXWKQRLJSA-N 1 1 322.369 -1.491 20 0 DAADMO Cn1nncc1C(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC000961929193 664362052 /nfs/dbraw/zinc/36/20/52/664362052.db2.gz WLSVXLJKQCFHEX-SCVCMEIPSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O ZINC000961933258 664362387 /nfs/dbraw/zinc/36/23/87/664362387.db2.gz SHKDLTMOKFKCDV-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1O ZINC000961929470 664362622 /nfs/dbraw/zinc/36/26/22/664362622.db2.gz XTNRSIHJRSEEJF-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000961938016 664362915 /nfs/dbraw/zinc/36/29/15/664362915.db2.gz IDWQZIDUWGAUSG-JZYVYDRUSA-N 1 1 308.338 -1.138 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1O ZINC000961963564 664363428 /nfs/dbraw/zinc/36/34/28/664363428.db2.gz HGDZLZMPFIFGMU-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC000961963533 664363765 /nfs/dbraw/zinc/36/37/65/664363765.db2.gz GXQURJWISVGWHK-AGIUHOORSA-N 1 1 321.381 -1.184 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961984838 664363940 /nfs/dbraw/zinc/36/39/40/664363940.db2.gz HRXVPYIJPDSJFF-GDGBQDQQSA-N 1 1 307.358 -1.672 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961984838 664363945 /nfs/dbraw/zinc/36/39/45/664363945.db2.gz HRXVPYIJPDSJFF-GDGBQDQQSA-N 1 1 307.358 -1.672 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000962009332 664364866 /nfs/dbraw/zinc/36/48/66/664364866.db2.gz ITDOZFRYCDZSND-WHOHXGKFSA-N 1 1 317.411 -1.287 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)n1 ZINC000962020427 664365036 /nfs/dbraw/zinc/36/50/36/664365036.db2.gz GTDTYAFZNFVICD-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC000962027325 664365061 /nfs/dbraw/zinc/36/50/61/664365061.db2.gz VHOVMWDSAJOZOO-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CCCS1(=O)=O ZINC000962020193 664365194 /nfs/dbraw/zinc/36/51/94/664365194.db2.gz XGXYVONSDFXJHP-WGBDABJCSA-N 1 1 302.396 -1.008 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCCS1(=O)=O ZINC000962020193 664365197 /nfs/dbraw/zinc/36/51/97/664365197.db2.gz XGXYVONSDFXJHP-WGBDABJCSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000962036615 664365499 /nfs/dbraw/zinc/36/54/99/664365499.db2.gz UEPDRBJCRMFRBN-YMEQNVIZSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)n1 ZINC000962040515 664365887 /nfs/dbraw/zinc/36/58/87/664365887.db2.gz GWOLXYPBTMRKQT-IAZYJMLFSA-N 1 1 302.342 -1.233 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000962044623 664366031 /nfs/dbraw/zinc/36/60/31/664366031.db2.gz BHJFDYMFEKXOGZ-KXUCPTDWSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000962044623 664366035 /nfs/dbraw/zinc/36/60/35/664366035.db2.gz BHJFDYMFEKXOGZ-KXUCPTDWSA-N 1 1 324.341 -2.563 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2O)C1 ZINC000962047017 664366190 /nfs/dbraw/zinc/36/61/90/664366190.db2.gz MNHMAVSXQAUJIF-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2O)C1 ZINC000962047017 664366191 /nfs/dbraw/zinc/36/61/91/664366191.db2.gz MNHMAVSXQAUJIF-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962045272 664366203 /nfs/dbraw/zinc/36/62/03/664366203.db2.gz CZTSTKGNYKKEBT-XKQNZCQWSA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(\C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962045272 664366207 /nfs/dbraw/zinc/36/62/07/664366207.db2.gz CZTSTKGNYKKEBT-XKQNZCQWSA-N 1 1 311.382 -1.029 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000962046541 664366258 /nfs/dbraw/zinc/36/62/58/664366258.db2.gz URPAKYRYCMMJJD-DMWPJOQESA-N 1 1 304.354 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2O)C1 ZINC000962047011 664366409 /nfs/dbraw/zinc/36/64/09/664366409.db2.gz MKFHTVFJCSWUGP-ULZSVGJGSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2O)C1 ZINC000962047011 664366411 /nfs/dbraw/zinc/36/64/11/664366411.db2.gz MKFHTVFJCSWUGP-ULZSVGJGSA-N 1 1 323.393 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)C1 ZINC000962053594 664366676 /nfs/dbraw/zinc/36/66/76/664366676.db2.gz BQMWZYTVEBATSS-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@@H]2O)C1 ZINC000962053594 664366679 /nfs/dbraw/zinc/36/66/79/664366679.db2.gz BQMWZYTVEBATSS-FRRDWIJNSA-N 1 1 322.365 -1.353 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962060882 664366816 /nfs/dbraw/zinc/36/68/16/664366816.db2.gz PRKQXXNZCRLMTA-KZWBYHQPSA-N 1 1 322.365 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)C1 ZINC000962047565 664366826 /nfs/dbraw/zinc/36/68/26/664366826.db2.gz OYRXVTOIIPJIKQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)C1 ZINC000962047565 664366828 /nfs/dbraw/zinc/36/68/28/664366828.db2.gz OYRXVTOIIPJIKQ-FRRDWIJNSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000962049436 664366941 /nfs/dbraw/zinc/36/69/41/664366941.db2.gz ZFZFYKRYMXOUOJ-ADEWGFFLSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cocn3)C[C@@H]2O)C1 ZINC000962049436 664366943 /nfs/dbraw/zinc/36/69/43/664366943.db2.gz ZFZFYKRYMXOUOJ-ADEWGFFLSA-N 1 1 324.337 -1.693 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962086733 664367528 /nfs/dbraw/zinc/36/75/28/664367528.db2.gz FOYMEFJLMPUPQR-MBTKJCJQSA-N 1 1 301.310 -1.730 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962086733 664367530 /nfs/dbraw/zinc/36/75/30/664367530.db2.gz FOYMEFJLMPUPQR-MBTKJCJQSA-N 1 1 301.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ccncn1 ZINC000962082989 664367547 /nfs/dbraw/zinc/36/75/47/664367547.db2.gz MHPUBZXPOSNOBF-PFWNZEGQSA-N 1 1 315.333 -1.058 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21)c1cnon1 ZINC000962106516 664367811 /nfs/dbraw/zinc/36/78/11/664367811.db2.gz DZGZUEZIUJOQOM-WOFXILAISA-N 1 1 319.321 -1.121 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cccnn1 ZINC000962111726 664367953 /nfs/dbraw/zinc/36/79/53/664367953.db2.gz OEVAZCDODCGKKR-PFWNZEGQSA-N 1 1 315.333 -1.058 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1cnon1 ZINC000962103123 664368004 /nfs/dbraw/zinc/36/80/04/664368004.db2.gz VGKSZQKTLXQAEP-SZVQBCOZSA-N 1 1 305.294 -1.465 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962215617 664369904 /nfs/dbraw/zinc/36/99/04/664369904.db2.gz CWGIQGBWQACSIX-JDICNCQASA-N 1 1 309.326 -2.540 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962215617 664369906 /nfs/dbraw/zinc/36/99/06/664369906.db2.gz CWGIQGBWQACSIX-JDICNCQASA-N 1 1 309.326 -2.540 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000962232030 664370109 /nfs/dbraw/zinc/37/01/09/664370109.db2.gz QAPKYVCQOSBPMU-MSRIBSCDSA-N 1 1 304.354 -1.374 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962225540 664370159 /nfs/dbraw/zinc/37/01/59/664370159.db2.gz AZDQSGDAAKIDGN-MDHDOXDCSA-N 1 1 308.382 -1.223 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962225540 664370161 /nfs/dbraw/zinc/37/01/61/664370161.db2.gz AZDQSGDAAKIDGN-MDHDOXDCSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250396 664371360 /nfs/dbraw/zinc/37/13/60/664371360.db2.gz INVFUMVZWOIPMZ-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962252995 664371489 /nfs/dbraw/zinc/37/14/89/664371489.db2.gz RQDCQKFQIUFYNM-IWIIMEHWSA-N 1 1 302.342 -1.278 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962252995 664371491 /nfs/dbraw/zinc/37/14/91/664371491.db2.gz RQDCQKFQIUFYNM-IWIIMEHWSA-N 1 1 302.342 -1.278 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC000962262283 664371679 /nfs/dbraw/zinc/37/16/79/664371679.db2.gz NARHRSFUDYINFA-DNJQJEMRSA-N 1 1 306.370 -1.130 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262283 664371683 /nfs/dbraw/zinc/37/16/83/664371683.db2.gz NARHRSFUDYINFA-DNJQJEMRSA-N 1 1 306.370 -1.130 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962262283 664371686 /nfs/dbraw/zinc/37/16/86/664371686.db2.gz NARHRSFUDYINFA-DNJQJEMRSA-N 1 1 306.370 -1.130 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000962279784 664371833 /nfs/dbraw/zinc/37/18/33/664371833.db2.gz KIGPLSHIBMGUCB-RBXMUDONSA-N 1 1 324.337 -1.063 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]n2)C1=O ZINC000962260253 664371933 /nfs/dbraw/zinc/37/19/33/664371933.db2.gz IWJRCBISVRCKKG-MPXOCVNLSA-N 1 1 304.354 -1.376 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1=O ZINC000962260253 664371937 /nfs/dbraw/zinc/37/19/37/664371937.db2.gz IWJRCBISVRCKKG-MPXOCVNLSA-N 1 1 304.354 -1.376 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1=O ZINC000962260253 664371943 /nfs/dbraw/zinc/37/19/43/664371943.db2.gz IWJRCBISVRCKKG-MPXOCVNLSA-N 1 1 304.354 -1.376 20 0 DAADMO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000962279782 664372103 /nfs/dbraw/zinc/37/21/03/664372103.db2.gz KIGPLSHIBMGUCB-HXFLIBJXSA-N 1 1 324.337 -1.063 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962290541 664372313 /nfs/dbraw/zinc/37/23/13/664372313.db2.gz BUFIEJPEPSLVLK-CZXHOFHRSA-N 1 1 303.366 -1.103 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962291002 664372434 /nfs/dbraw/zinc/37/24/34/664372434.db2.gz XNLZDPCFXKTQAG-DNJQJEMRSA-N 1 1 310.354 -1.692 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)c1cc(=O)n2[nH]cnc2n1 ZINC000962285121 664372457 /nfs/dbraw/zinc/37/24/57/664372457.db2.gz BZIMVWSABSAIOT-GDGBQDQQSA-N 1 1 318.337 -1.540 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962290289 664372557 /nfs/dbraw/zinc/37/25/57/664372557.db2.gz WBVSRLGZNPWYAT-KZWBYHQPSA-N 1 1 324.381 -1.038 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@]3(C)CCNC3=O)C2)n1 ZINC000962302315 664372782 /nfs/dbraw/zinc/37/27/82/664372782.db2.gz RAJFADVOAHTUJX-RPFQZYLTSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O ZINC000962330272 664373481 /nfs/dbraw/zinc/37/34/81/664373481.db2.gz GHCZECKHUUFQGX-YJQGPUDQSA-N 1 1 304.350 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O ZINC000962330179 664373551 /nfs/dbraw/zinc/37/35/51/664373551.db2.gz GHCZECKHUUFQGX-OHBODLIOSA-N 1 1 304.350 -1.081 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC000962423071 664375271 /nfs/dbraw/zinc/37/52/71/664375271.db2.gz BIRLVGNBLGNUFN-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1C ZINC000962423071 664375274 /nfs/dbraw/zinc/37/52/74/664375274.db2.gz BIRLVGNBLGNUFN-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962426941 664375422 /nfs/dbraw/zinc/37/54/22/664375422.db2.gz PMFDDHGJJGVVOS-PJXYFTJBSA-N 1 1 307.354 -1.325 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cn1 ZINC000962426941 664375426 /nfs/dbraw/zinc/37/54/26/664375426.db2.gz PMFDDHGJJGVVOS-PJXYFTJBSA-N 1 1 307.354 -1.325 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000962440199 664375879 /nfs/dbraw/zinc/37/58/79/664375879.db2.gz ZODXRZTXRBHXAG-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000962440199 664375881 /nfs/dbraw/zinc/37/58/81/664375881.db2.gz ZODXRZTXRBHXAG-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962439105 664375898 /nfs/dbraw/zinc/37/58/98/664375898.db2.gz UBNGJZGDKDLTKE-XZUYRWCXSA-N 1 1 310.354 -2.235 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962439105 664375901 /nfs/dbraw/zinc/37/59/01/664375901.db2.gz UBNGJZGDKDLTKE-XZUYRWCXSA-N 1 1 310.354 -2.235 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962474882 664376944 /nfs/dbraw/zinc/37/69/44/664376944.db2.gz LUUXOGXMYMFXRA-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962479572 664376951 /nfs/dbraw/zinc/37/69/51/664376951.db2.gz AKUDQUMWSYNCIH-LITAXDCLSA-N 1 1 309.326 -2.542 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962479572 664376953 /nfs/dbraw/zinc/37/69/53/664376953.db2.gz AKUDQUMWSYNCIH-LITAXDCLSA-N 1 1 309.326 -2.542 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000962473508 664376999 /nfs/dbraw/zinc/37/69/99/664376999.db2.gz GJFVLPTXIXZMHU-JYAVWHMHSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000962473606 664377074 /nfs/dbraw/zinc/37/70/74/664377074.db2.gz HEGFHXQQKVDWRF-MEWQQHAOSA-N 1 1 306.370 -1.199 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962482142 664377618 /nfs/dbraw/zinc/37/76/18/664377618.db2.gz JBTZWBNZFUBIKI-PUHVVEEASA-N 1 1 324.381 -1.038 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962505874 664377870 /nfs/dbraw/zinc/37/78/70/664377870.db2.gz CBEWWDYPXQSHQY-QMSLJYSESA-N 1 1 304.310 -2.279 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962505874 664377872 /nfs/dbraw/zinc/37/78/72/664377872.db2.gz CBEWWDYPXQSHQY-QMSLJYSESA-N 1 1 304.310 -2.279 20 0 DAADMO O=C(Cc1nnc[nH]1)NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000962513936 664377914 /nfs/dbraw/zinc/37/79/14/664377914.db2.gz OTJXEZOCKWAKQR-UDNWOFFPSA-N 1 1 320.353 -1.363 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962511873 664377944 /nfs/dbraw/zinc/37/79/44/664377944.db2.gz PAXZFJFPVGNCHW-LFNDISMMSA-N 1 1 322.365 -1.684 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC000962492896 664378203 /nfs/dbraw/zinc/37/82/03/664378203.db2.gz RTEWVWVFWHBFBQ-KZWBYHQPSA-N 1 1 324.381 -1.038 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1=O ZINC000962495065 664378290 /nfs/dbraw/zinc/37/82/90/664378290.db2.gz ZZLZMLFJAJUCOI-IWIIMEHWSA-N 1 1 310.354 -1.691 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962495278 664378306 /nfs/dbraw/zinc/37/83/06/664378306.db2.gz JQGPDEPFPBBHDC-AEISUSGSSA-N 1 1 320.349 -1.930 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962533584 664378560 /nfs/dbraw/zinc/37/85/60/664378560.db2.gz MHOLBYQGGVGSOL-ODXREFDESA-N 1 1 321.337 -1.980 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962534103 664378739 /nfs/dbraw/zinc/37/87/39/664378739.db2.gz SNRBIAUCCSEOJP-OZTPJHRESA-N 1 1 316.361 -1.217 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560198 664379095 /nfs/dbraw/zinc/37/90/95/664379095.db2.gz ZJOKSVUIODPOHX-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO O=C(CN1CCCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000962560198 664379098 /nfs/dbraw/zinc/37/90/98/664379098.db2.gz ZJOKSVUIODPOHX-ZAZJYDDPSA-N 1 1 320.393 -1.066 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962557070 664379122 /nfs/dbraw/zinc/37/91/22/664379122.db2.gz SJAMPAJGSPXYAA-DCQANWLSSA-N 1 1 305.386 -1.292 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962570650 664379221 /nfs/dbraw/zinc/37/92/21/664379221.db2.gz WOJUWUXUXNRTDR-CNABLZDZSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000962570650 664379224 /nfs/dbraw/zinc/37/92/24/664379224.db2.gz WOJUWUXUXNRTDR-CNABLZDZSA-N 1 1 305.338 -1.353 20 0 DAADMO Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC000962557062 664379264 /nfs/dbraw/zinc/37/92/64/664379264.db2.gz SHDVUOWZZDWNHR-MEWQQHAOSA-N 1 1 320.397 -1.394 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC000962602242 664380258 /nfs/dbraw/zinc/38/02/58/664380258.db2.gz CWZYOFCMTRNPSU-ZRUFSTJUSA-N 1 1 303.384 -1.893 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962620172 664380773 /nfs/dbraw/zinc/38/07/73/664380773.db2.gz TYOXVASBRGSLJB-PJXYFTJBSA-N 1 1 317.349 -1.414 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962620172 664380775 /nfs/dbraw/zinc/38/07/75/664380775.db2.gz TYOXVASBRGSLJB-PJXYFTJBSA-N 1 1 317.349 -1.414 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)C1 ZINC000962666341 664381652 /nfs/dbraw/zinc/38/16/52/664381652.db2.gz NOWALTAGRDOBNJ-SFDCQRBFSA-N 1 1 324.425 -1.158 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000962712394 664382889 /nfs/dbraw/zinc/38/28/89/664382889.db2.gz VKROUEZUJGHCSJ-VWYCJHECSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)nn1 ZINC000962717323 664383143 /nfs/dbraw/zinc/38/31/43/664383143.db2.gz QGWGQYXHYAWOGZ-FOGDFJRCSA-N 1 1 322.369 -1.932 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCCC1=O ZINC000962758097 664384081 /nfs/dbraw/zinc/38/40/81/664384081.db2.gz VPIVMFQZQZHQRB-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCCC1=O ZINC000962758097 664384084 /nfs/dbraw/zinc/38/40/84/664384084.db2.gz VPIVMFQZQZHQRB-KZWBYHQPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)C1 ZINC000962816128 664385156 /nfs/dbraw/zinc/38/51/56/664385156.db2.gz UPVSNDDZQIAURS-MXWKQRLJSA-N 1 1 307.354 -1.337 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC000962819652 664385176 /nfs/dbraw/zinc/38/51/76/664385176.db2.gz INYXSYSQOZIZIS-UUIJZJDISA-N 1 1 322.409 -1.011 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962850814 664385588 /nfs/dbraw/zinc/38/55/88/664385588.db2.gz GROHMHMBOSRXLH-IWIIMEHWSA-N 1 1 321.381 -1.528 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962853782 664385631 /nfs/dbraw/zinc/38/56/31/664385631.db2.gz NZIBRTBKOBCKII-REIXXSIJSA-N 1 1 307.354 -1.742 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000962856244 664386162 /nfs/dbraw/zinc/38/61/62/664386162.db2.gz HKVRPLXGGYKOJJ-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000962856477 664386222 /nfs/dbraw/zinc/38/62/22/664386222.db2.gz VMKPZVYJPKEHNF-KLBPJQLPSA-N 1 1 321.381 -1.352 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000963025453 664387461 /nfs/dbraw/zinc/38/74/61/664387461.db2.gz WJNPVZSUZPZEGC-BBGACYKPSA-N 1 1 317.349 -1.265 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987343 664387587 /nfs/dbraw/zinc/38/75/87/664387587.db2.gz JMYCNZGYFJRWMN-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987343 664387588 /nfs/dbraw/zinc/38/75/88/664387588.db2.gz JMYCNZGYFJRWMN-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC000963065563 664388000 /nfs/dbraw/zinc/38/80/00/664388000.db2.gz FIQZQBJRFCZVBH-SRRSOLGSSA-N 1 1 323.397 -1.336 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000963101017 664388440 /nfs/dbraw/zinc/38/84/40/664388440.db2.gz RPBBRBZYBIHHTN-LFNDISMMSA-N 1 1 322.365 -1.826 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)N1CCOCC1 ZINC000963158529 664388449 /nfs/dbraw/zinc/38/84/49/664388449.db2.gz SHDWOHQIQYUINP-RMRHIDDWSA-N 1 1 324.425 -1.158 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963176778 664388506 /nfs/dbraw/zinc/38/85/06/664388506.db2.gz FWMXWSLWHHWBAX-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)ccn1 ZINC000963176778 664388507 /nfs/dbraw/zinc/38/85/07/664388507.db2.gz FWMXWSLWHHWBAX-BXSSEVMYSA-N 1 1 317.349 -1.286 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000963265339 664388752 /nfs/dbraw/zinc/38/87/52/664388752.db2.gz RDPKLLBXEMGJFP-NWDGAFQWSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358499 664389126 /nfs/dbraw/zinc/38/91/26/664389126.db2.gz SIWFFKBKZDSTSZ-GHMZBOCLSA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358499 664389130 /nfs/dbraw/zinc/38/91/30/664389130.db2.gz SIWFFKBKZDSTSZ-GHMZBOCLSA-N 1 1 321.385 -1.102 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2O)C1 ZINC000963376435 664389188 /nfs/dbraw/zinc/38/91/88/664389188.db2.gz WOVSLDGHSDKEFL-WCQGTBRESA-N 1 1 307.354 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000963305030 664389217 /nfs/dbraw/zinc/38/92/17/664389217.db2.gz YLAASRSYCVDHFY-NWDGAFQWSA-N 1 1 321.385 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2O)C1 ZINC000963374888 664389312 /nfs/dbraw/zinc/38/93/12/664389312.db2.gz HRKISYKUXGFUGD-RTXFEEFZSA-N 1 1 319.365 -1.270 20 0 DAADMO Cn1nnnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358501 664389416 /nfs/dbraw/zinc/38/94/16/664389416.db2.gz SIWFFKBKZDSTSZ-QWRGUYRKSA-N 1 1 321.385 -1.102 20 0 DAADMO Cn1nnnc1C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963358501 664389417 /nfs/dbraw/zinc/38/94/17/664389417.db2.gz SIWFFKBKZDSTSZ-QWRGUYRKSA-N 1 1 321.385 -1.102 20 0 DAADMO Cc1nc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c[nH]1 ZINC000963393983 664390143 /nfs/dbraw/zinc/39/01/43/664390143.db2.gz JRTDMKYZBSRYHH-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC000963393983 664390151 /nfs/dbraw/zinc/39/01/51/664390151.db2.gz JRTDMKYZBSRYHH-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1ncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)[nH]1 ZINC000963393983 664390153 /nfs/dbraw/zinc/39/01/53/664390153.db2.gz JRTDMKYZBSRYHH-RTXFEEFZSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)C1 ZINC000963394835 664390230 /nfs/dbraw/zinc/39/02/30/664390230.db2.gz NDXJZGCOQOTEIH-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cnco3)C[C@@H]2O)C1 ZINC000963394020 664390261 /nfs/dbraw/zinc/39/02/61/664390261.db2.gz KIWWBOLICLAEIQ-MXWKQRLJSA-N 1 1 308.338 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@@H]2O)C1 ZINC000963393047 664390268 /nfs/dbraw/zinc/39/02/68/664390268.db2.gz GUTZBYGHSTVVOK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2O)C1 ZINC000963393047 664390270 /nfs/dbraw/zinc/39/02/70/664390270.db2.gz GUTZBYGHSTVVOK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2O)C1 ZINC000963393047 664390272 /nfs/dbraw/zinc/39/02/72/664390272.db2.gz GUTZBYGHSTVVOK-RTXFEEFZSA-N 1 1 321.381 -1.408 20 0 DAADMO Cc1nonc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963394959 664390322 /nfs/dbraw/zinc/39/03/22/664390322.db2.gz ORJGVOSTTAKODA-AXFHLTTASA-N 1 1 323.353 -1.369 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963383458 664390348 /nfs/dbraw/zinc/39/03/48/664390348.db2.gz RRYFJNYDRXCCPE-UHTWSYAYSA-N 1 1 321.381 -1.327 20 0 DAADMO Cc1c[nH]c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC000963383789 664390408 /nfs/dbraw/zinc/39/04/08/664390408.db2.gz VZOPWAMPZPCJPH-UTUOFQBUSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]2O)C1 ZINC000963398492 664390497 /nfs/dbraw/zinc/39/04/97/664390497.db2.gz YILSNPJYNIYVIA-RTXFEEFZSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424192 664390806 /nfs/dbraw/zinc/39/08/06/664390806.db2.gz MSFGKSCPKNZIFD-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC23CCN(C(=O)C(N)=O)CC3)C1 ZINC000963424192 664390808 /nfs/dbraw/zinc/39/08/08/664390808.db2.gz MSFGKSCPKNZIFD-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2O)n1 ZINC000963451686 664390913 /nfs/dbraw/zinc/39/09/13/664390913.db2.gz HEYNKEIZBODHEQ-UPJWGTAASA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000963500443 664391630 /nfs/dbraw/zinc/39/16/30/664391630.db2.gz XAHGBTGHHFWTND-MNOVXSKESA-N 1 1 308.342 -1.798 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000963542542 664393434 /nfs/dbraw/zinc/39/34/34/664393434.db2.gz PNMMOLBLWBEWQD-MNOVXSKESA-N 1 1 320.309 -1.424 20 0 DAADMO CO[C@H](C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC000963556299 664393541 /nfs/dbraw/zinc/39/35/41/664393541.db2.gz MMRGEDYGWUHVAA-JLLWLGSASA-N 1 1 310.354 -1.086 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000963585638 664393569 /nfs/dbraw/zinc/39/35/69/664393569.db2.gz IZKKNBMMYHCXRR-MNOVXSKESA-N 1 1 319.325 -1.689 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000963750868 664394516 /nfs/dbraw/zinc/39/45/16/664394516.db2.gz HMAOUYYKMNQSJH-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC000963834974 664396340 /nfs/dbraw/zinc/39/63/40/664396340.db2.gz YHJFEDBOXRQTBW-MXWKQRLJSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC000964027903 664397960 /nfs/dbraw/zinc/39/79/60/664397960.db2.gz WFASMEMLOIADDP-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC000964116098 664400945 /nfs/dbraw/zinc/40/09/45/664400945.db2.gz AJNHJTNAHLTDIJ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120871 664401139 /nfs/dbraw/zinc/40/11/39/664401139.db2.gz NZLHCGRLDFZNGG-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120871 664401140 /nfs/dbraw/zinc/40/11/40/664401140.db2.gz NZLHCGRLDFZNGG-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125684 664401627 /nfs/dbraw/zinc/40/16/27/664401627.db2.gz XONZKNPYHMSBPY-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125684 664401628 /nfs/dbraw/zinc/40/16/28/664401628.db2.gz XONZKNPYHMSBPY-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125683 664401672 /nfs/dbraw/zinc/40/16/72/664401672.db2.gz XONZKNPYHMSBPY-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC000964125683 664401674 /nfs/dbraw/zinc/40/16/74/664401674.db2.gz XONZKNPYHMSBPY-QWRGUYRKSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964141234 664401868 /nfs/dbraw/zinc/40/18/68/664401868.db2.gz BOFCXNOACCEKPO-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC000964141234 664401871 /nfs/dbraw/zinc/40/18/71/664401871.db2.gz BOFCXNOACCEKPO-ZJUUUORDSA-N 1 1 314.342 -2.854 20 0 DAADMO COCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000964144482 664402051 /nfs/dbraw/zinc/40/20/51/664402051.db2.gz LEQALKGFXMMVPS-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000964144482 664402052 /nfs/dbraw/zinc/40/20/52/664402052.db2.gz LEQALKGFXMMVPS-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)c2cnon2)C1 ZINC000964190756 664403363 /nfs/dbraw/zinc/40/33/63/664403363.db2.gz MEJVVAJZWIPRQF-QWRGUYRKSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)c2cn[nH]n2)C1 ZINC000964194967 664403789 /nfs/dbraw/zinc/40/37/89/664403789.db2.gz ZTLZFBPFQNEDHI-GHMZBOCLSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)c2nc[nH]n2)C1 ZINC000964194283 664403842 /nfs/dbraw/zinc/40/38/42/664403842.db2.gz WHWSIZKQKSVLLH-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nnc[nH]2)C1 ZINC000964311393 664408648 /nfs/dbraw/zinc/40/86/48/664408648.db2.gz RQGGKKRRCLKIGZ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311393 664408652 /nfs/dbraw/zinc/40/86/52/664408652.db2.gz RQGGKKRRCLKIGZ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311393 664408656 /nfs/dbraw/zinc/40/86/56/664408656.db2.gz RQGGKKRRCLKIGZ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311393 664408658 /nfs/dbraw/zinc/40/86/58/664408658.db2.gz RQGGKKRRCLKIGZ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311393 664408661 /nfs/dbraw/zinc/40/86/61/664408661.db2.gz RQGGKKRRCLKIGZ-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nnc[nH]2)C1 ZINC000964311391 664408968 /nfs/dbraw/zinc/40/89/68/664408968.db2.gz RQGGKKRRCLKIGZ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311391 664408970 /nfs/dbraw/zinc/40/89/70/664408970.db2.gz RQGGKKRRCLKIGZ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311391 664408973 /nfs/dbraw/zinc/40/89/73/664408973.db2.gz RQGGKKRRCLKIGZ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311391 664408975 /nfs/dbraw/zinc/40/89/75/664408975.db2.gz RQGGKKRRCLKIGZ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311391 664408978 /nfs/dbraw/zinc/40/89/78/664408978.db2.gz RQGGKKRRCLKIGZ-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nnc[nH]2)C1 ZINC000964311392 664409063 /nfs/dbraw/zinc/40/90/63/664409063.db2.gz RQGGKKRRCLKIGZ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311392 664409066 /nfs/dbraw/zinc/40/90/66/664409066.db2.gz RQGGKKRRCLKIGZ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2ncn[nH]2)C1 ZINC000964311392 664409068 /nfs/dbraw/zinc/40/90/68/664409068.db2.gz RQGGKKRRCLKIGZ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311392 664409070 /nfs/dbraw/zinc/40/90/70/664409070.db2.gz RQGGKKRRCLKIGZ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2nc[nH]n2)C1 ZINC000964311392 664409073 /nfs/dbraw/zinc/40/90/73/664409073.db2.gz RQGGKKRRCLKIGZ-QWRGUYRKSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC000964625271 664412300 /nfs/dbraw/zinc/41/23/00/664412300.db2.gz CQPIIAMWNCFNSB-DBIOUOCHSA-N 1 1 312.370 -2.110 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964960507 664413513 /nfs/dbraw/zinc/41/35/13/664413513.db2.gz HMVFEDKDRAQANQ-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964960507 664413515 /nfs/dbraw/zinc/41/35/15/664413515.db2.gz HMVFEDKDRAQANQ-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964965463 664413579 /nfs/dbraw/zinc/41/35/79/664413579.db2.gz NXLQRSKUVPBJIC-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964965463 664413582 /nfs/dbraw/zinc/41/35/82/664413582.db2.gz NXLQRSKUVPBJIC-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000965007642 664414268 /nfs/dbraw/zinc/41/42/68/664414268.db2.gz RGRDLBXBYWSOET-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)C1 ZINC000965007642 664414269 /nfs/dbraw/zinc/41/42/69/664414269.db2.gz RGRDLBXBYWSOET-KXUCPTDWSA-N 1 1 321.324 -1.340 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1 ZINC000965091028 664416005 /nfs/dbraw/zinc/41/60/05/664416005.db2.gz ROWNGOBCUOYKNX-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132834 664416582 /nfs/dbraw/zinc/41/65/82/664416582.db2.gz QPZWKMLVADHKRW-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1 ZINC000965132834 664416584 /nfs/dbraw/zinc/41/65/84/664416584.db2.gz QPZWKMLVADHKRW-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965332610 664420014 /nfs/dbraw/zinc/42/00/14/664420014.db2.gz KPKHGPLXQPOMAA-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC000965380656 664420806 /nfs/dbraw/zinc/42/08/06/664420806.db2.gz KAJWEMPJIDIMAB-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)CC[N@H+]1C ZINC000965392497 664421296 /nfs/dbraw/zinc/42/12/96/664421296.db2.gz MNQQCRMQUZOLRZ-GHMZBOCLSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965422941 664422003 /nfs/dbraw/zinc/42/20/03/664422003.db2.gz GZFZSDQJVGMZDY-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC000965474612 664424156 /nfs/dbraw/zinc/42/41/56/664424156.db2.gz UIAMCJUYGHSYNJ-QWRGUYRKSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965491790 664424771 /nfs/dbraw/zinc/42/47/71/664424771.db2.gz YCUOCDQGKSRJBV-GHMZBOCLSA-N 1 1 324.381 -1.891 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCOC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965491753 664424875 /nfs/dbraw/zinc/42/48/75/664424875.db2.gz XGSXUBANMPFXFX-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC000965519333 664425147 /nfs/dbraw/zinc/42/51/47/664425147.db2.gz DONKNLAXFJPWRS-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(CN(C(=O)C(N)=O)C2)O1 ZINC000965519335 664425264 /nfs/dbraw/zinc/42/52/64/664425264.db2.gz DONKNLAXFJPWRS-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965701868 664429096 /nfs/dbraw/zinc/42/90/96/664429096.db2.gz LNWVNEXPQPJTMO-NXEZZACHSA-N 1 1 310.354 -2.091 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)CC[N@H+]1C ZINC000965715747 664429511 /nfs/dbraw/zinc/42/95/11/664429511.db2.gz OPCIHEJXOHYCRK-OUAUKWLOSA-N 1 1 324.381 -1.702 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965753295 664430753 /nfs/dbraw/zinc/43/07/53/664430753.db2.gz IFYUCTWGJPFMES-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965802556 664434467 /nfs/dbraw/zinc/43/44/67/664434467.db2.gz FIQXFAGTCONXGQ-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965819788 664435282 /nfs/dbraw/zinc/43/52/82/664435282.db2.gz USPGDYUSYVQVAW-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965901568 664436013 /nfs/dbraw/zinc/43/60/13/664436013.db2.gz VQGRHVCAHRUCIV-MNOVXSKESA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965901568 664436018 /nfs/dbraw/zinc/43/60/18/664436018.db2.gz VQGRHVCAHRUCIV-MNOVXSKESA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898758 664436031 /nfs/dbraw/zinc/43/60/31/664436031.db2.gz CPGMYUUJFNUTEN-UWVGGRQHSA-N 1 1 310.358 -1.444 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965898758 664436033 /nfs/dbraw/zinc/43/60/33/664436033.db2.gz CPGMYUUJFNUTEN-UWVGGRQHSA-N 1 1 310.358 -1.444 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)C1 ZINC000965903600 664436412 /nfs/dbraw/zinc/43/64/12/664436412.db2.gz GUWJNQXDFQCSDR-WOPDTQHZSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C3(C)CC3)[C@@H](O)C2)C1 ZINC000965903600 664436415 /nfs/dbraw/zinc/43/64/15/664436415.db2.gz GUWJNQXDFQCSDR-WOPDTQHZSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)C1 ZINC000965934611 664436846 /nfs/dbraw/zinc/43/68/46/664436846.db2.gz ZHMKIPHDBHBGIL-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)C1 ZINC000965934611 664436847 /nfs/dbraw/zinc/43/68/47/664436847.db2.gz ZHMKIPHDBHBGIL-AGIUHOORSA-N 1 1 322.365 -1.353 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000965977972 664437485 /nfs/dbraw/zinc/43/74/85/664437485.db2.gz LTOOAWZRMWIPGP-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000966081499 664438584 /nfs/dbraw/zinc/43/85/84/664438584.db2.gz KOERUXIQYARUCV-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966132597 664438702 /nfs/dbraw/zinc/43/87/02/664438702.db2.gz MPUVSIFPMBETIQ-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966132597 664438707 /nfs/dbraw/zinc/43/87/07/664438707.db2.gz MPUVSIFPMBETIQ-CMPLNLGQSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000966081501 664438730 /nfs/dbraw/zinc/43/87/30/664438730.db2.gz KOERUXIQYARUCV-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966137459 664439217 /nfs/dbraw/zinc/43/92/17/664439217.db2.gz VNXKYJRHXSSHKI-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966137459 664439222 /nfs/dbraw/zinc/43/92/22/664439222.db2.gz VNXKYJRHXSSHKI-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966133049 664439372 /nfs/dbraw/zinc/43/93/72/664439372.db2.gz MUHBHIHBMACYBR-RYUDHWBXSA-N 1 1 319.373 -1.209 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966164710 664440600 /nfs/dbraw/zinc/44/06/00/664440600.db2.gz DCXOJISPFBRXRC-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC000966524693 664445554 /nfs/dbraw/zinc/44/55/54/664445554.db2.gz LWCACQNHMIUBLT-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966628666 664447670 /nfs/dbraw/zinc/44/76/70/664447670.db2.gz XPJSCMRHNGSQJG-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1C ZINC000966888899 664453369 /nfs/dbraw/zinc/45/33/69/664453369.db2.gz HKNFHOQKPTYCHY-SNVBAGLBSA-N 1 1 319.373 -1.245 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC000966885836 664453857 /nfs/dbraw/zinc/45/38/57/664453857.db2.gz GUCJDLSKTVANJL-SNVBAGLBSA-N 1 1 307.358 -1.477 20 0 DAADMO CC(=O)N1CCN(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000967150913 664456054 /nfs/dbraw/zinc/45/60/54/664456054.db2.gz OQFQHIPLPBELMC-CQSZACIVSA-N 1 1 310.398 -1.308 20 0 DAADMO CC(=O)N1CCN(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000967150913 664456055 /nfs/dbraw/zinc/45/60/55/664456055.db2.gz OQFQHIPLPBELMC-CQSZACIVSA-N 1 1 310.398 -1.308 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413612 664462062 /nfs/dbraw/zinc/46/20/62/664462062.db2.gz CKUFQINGNKKRTB-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413612 664462069 /nfs/dbraw/zinc/46/20/69/664462069.db2.gz CKUFQINGNKKRTB-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1cc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)cn1 ZINC000967646731 664464272 /nfs/dbraw/zinc/46/42/72/664464272.db2.gz XYXVKANIVZHPHI-LLVKDONJSA-N 1 1 304.358 -1.123 20 0 DAADMO COCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000967721890 664464763 /nfs/dbraw/zinc/46/47/63/664464763.db2.gz LTMHPVLMHMHMBR-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000967768368 664465921 /nfs/dbraw/zinc/46/59/21/664465921.db2.gz TYEGBTQPZJSCJF-MWLCHTKSSA-N 1 1 319.369 -1.023 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2ncnn2)C1 ZINC000967977841 664468329 /nfs/dbraw/zinc/46/83/29/664468329.db2.gz GNNSNPUEQZFAOF-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000968028222 664469397 /nfs/dbraw/zinc/46/93/97/664469397.db2.gz PMZBKZQDVQGEAS-MRVPVSSYSA-N 1 1 303.330 -1.413 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078941 664469632 /nfs/dbraw/zinc/46/96/32/664469632.db2.gz MGUKXZFNWXHHDI-ONGXEEELSA-N 1 1 307.354 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000968078941 664469634 /nfs/dbraw/zinc/46/96/34/664469634.db2.gz MGUKXZFNWXHHDI-ONGXEEELSA-N 1 1 307.354 -1.044 20 0 DAADMO C[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968156950 664471147 /nfs/dbraw/zinc/47/11/47/664471147.db2.gz WKZLNXKVEIWBHX-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C(N)=O ZINC000968156950 664471150 /nfs/dbraw/zinc/47/11/50/664471150.db2.gz WKZLNXKVEIWBHX-VHSXEESVSA-N 1 1 310.354 -1.553 20 0 DAADMO CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968245003 664473504 /nfs/dbraw/zinc/47/35/04/664473504.db2.gz MKZWZBMAMJIAGU-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO CCN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968245003 664473512 /nfs/dbraw/zinc/47/35/12/664473512.db2.gz MKZWZBMAMJIAGU-LLVKDONJSA-N 1 1 322.369 -1.192 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000968351792 664475845 /nfs/dbraw/zinc/47/58/45/664475845.db2.gz HGDYHTHWEORRKL-ZJUUUORDSA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)O1 ZINC000968410956 664476452 /nfs/dbraw/zinc/47/64/52/664476452.db2.gz LTYVZWGPUBWVRK-FOUMNBMASA-N 1 1 311.382 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@@H]2O)O1 ZINC000968410956 664476453 /nfs/dbraw/zinc/47/64/53/664476453.db2.gz LTYVZWGPUBWVRK-FOUMNBMASA-N 1 1 311.382 -1.197 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416748 664476813 /nfs/dbraw/zinc/47/68/13/664476813.db2.gz ARLWQXPJOYPNIT-KOLCDFICSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416748 664476814 /nfs/dbraw/zinc/47/68/14/664476814.db2.gz ARLWQXPJOYPNIT-KOLCDFICSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431650 664476913 /nfs/dbraw/zinc/47/69/13/664476913.db2.gz NRQILDCHBSKHOY-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000968453488 664477238 /nfs/dbraw/zinc/47/72/38/664477238.db2.gz LFZPZHDMOZDCRF-SECBINFHSA-N 1 1 306.330 -1.497 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC000968452547 664477401 /nfs/dbraw/zinc/47/74/01/664477401.db2.gz IGRFAECOUZXAFA-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC000968462234 664478232 /nfs/dbraw/zinc/47/82/32/664478232.db2.gz FXGQXDWANHUVFP-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)[nH]1 ZINC000968466615 664479159 /nfs/dbraw/zinc/47/91/59/664479159.db2.gz FGMLEJODFIZBJM-SECBINFHSA-N 1 1 306.330 -1.199 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC000968507732 664479718 /nfs/dbraw/zinc/47/97/18/664479718.db2.gz BKQQVKXREKRDDB-GFCCVEGCSA-N 1 1 306.370 -1.016 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC000968507996 664479762 /nfs/dbraw/zinc/47/97/62/664479762.db2.gz JGUVAEIZZHABMS-LLVKDONJSA-N 1 1 307.358 -1.621 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000968518192 664479802 /nfs/dbraw/zinc/47/98/02/664479802.db2.gz ZEZVBNZLABOXMU-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000968516079 664479969 /nfs/dbraw/zinc/47/99/69/664479969.db2.gz RXHQFNDBMVJIEL-MRVPVSSYSA-N 1 1 307.314 -1.494 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000968544681 664480276 /nfs/dbraw/zinc/48/02/76/664480276.db2.gz RXNMYQJDKWGVHE-ONGXEEELSA-N 1 1 320.353 -1.150 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC000968575573 664480879 /nfs/dbraw/zinc/48/08/79/664480879.db2.gz BTPVFRJPGOYRKM-RKDXNWHRSA-N 1 1 305.346 -1.096 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000968583975 664480893 /nfs/dbraw/zinc/48/08/93/664480893.db2.gz WJQJADUMMZRIKQ-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO Cn1ccc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000968639522 664481341 /nfs/dbraw/zinc/48/13/41/664481341.db2.gz JUAGLFHPWZNNIX-LLVKDONJSA-N 1 1 304.358 -1.123 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615578 664481601 /nfs/dbraw/zinc/48/16/01/664481601.db2.gz ZBRSRKGSCQTHQX-JQWIXIFHSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615578 664481603 /nfs/dbraw/zinc/48/16/03/664481603.db2.gz ZBRSRKGSCQTHQX-JQWIXIFHSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968683687 664482405 /nfs/dbraw/zinc/48/24/05/664482405.db2.gz XHTOBGACGCEYTN-SECBINFHSA-N 1 1 318.345 -1.615 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1)c1nncn1C ZINC000968683683 664482606 /nfs/dbraw/zinc/48/26/06/664482606.db2.gz XAVCWPRTENPULI-NXEZZACHSA-N 1 1 305.346 -1.247 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)C2)n1 ZINC000968683581 664482906 /nfs/dbraw/zinc/48/29/06/664482906.db2.gz ROTPPHZLAUDCTL-SNVBAGLBSA-N 1 1 305.346 -1.325 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000968700546 664484307 /nfs/dbraw/zinc/48/43/07/664484307.db2.gz JGMBMLLUWDTWKC-VWYCJHECSA-N 1 1 310.358 -1.554 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)C1 ZINC000968700516 664484554 /nfs/dbraw/zinc/48/45/54/664484554.db2.gz HUJQNBUGZSPLMO-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700516 664484558 /nfs/dbraw/zinc/48/45/58/664484558.db2.gz HUJQNBUGZSPLMO-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)C1 ZINC000968700516 664484562 /nfs/dbraw/zinc/48/45/62/664484562.db2.gz HUJQNBUGZSPLMO-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)CC1 ZINC000968707649 664484998 /nfs/dbraw/zinc/48/49/98/664484998.db2.gz ZARIUAVKOITTJF-NEPJUHHUSA-N 1 1 322.369 -1.552 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968807620 664486425 /nfs/dbraw/zinc/48/64/25/664486425.db2.gz HUGKLJSPHDQOSL-SNVBAGLBSA-N 1 1 317.357 -1.010 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000968785765 664486739 /nfs/dbraw/zinc/48/67/39/664486739.db2.gz SKBCLSLBBQNQGB-SNVBAGLBSA-N 1 1 313.383 -1.450 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001007225332 664487072 /nfs/dbraw/zinc/48/70/72/664487072.db2.gz GWNKBKXWEYRERW-MNOVXSKESA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000968897501 664488207 /nfs/dbraw/zinc/48/82/07/664488207.db2.gz DUZZFJKSGCENNW-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000968956552 664488312 /nfs/dbraw/zinc/48/83/12/664488312.db2.gz GRWWKMSEMOOGIB-MNOVXSKESA-N 1 1 319.325 -1.689 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952610 664488314 /nfs/dbraw/zinc/48/83/14/664488314.db2.gz PGRJNTANXAOARU-SFYZADRCSA-N 1 1 322.329 -2.501 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000968946469 664488327 /nfs/dbraw/zinc/48/83/27/664488327.db2.gz IJIGTCXVIDDEFS-TUAOUCFPSA-N 1 1 310.354 -1.086 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1O ZINC000968949768 664488513 /nfs/dbraw/zinc/48/85/13/664488513.db2.gz SSJZRZXMIZMLNP-MNOVXSKESA-N 1 1 318.337 -1.084 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000968952718 664488621 /nfs/dbraw/zinc/48/86/21/664488621.db2.gz PPGCUQIZLFOIID-ZJUUUORDSA-N 1 1 318.337 -1.235 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000968946070 664488634 /nfs/dbraw/zinc/48/86/34/664488634.db2.gz BQJKKLHTGVXESS-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000968951284 664488650 /nfs/dbraw/zinc/48/86/50/664488650.db2.gz KSJNPGQZAFIETM-ZJUUUORDSA-N 1 1 319.325 -1.689 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000968989265 664488978 /nfs/dbraw/zinc/48/89/78/664488978.db2.gz GWPYFYINHMDWIM-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000969008478 664489272 /nfs/dbraw/zinc/48/92/72/664489272.db2.gz SGVWOKRGSLJMGE-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC000969008478 664489275 /nfs/dbraw/zinc/48/92/75/664489275.db2.gz SGVWOKRGSLJMGE-GHMZBOCLSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000969010254 664489341 /nfs/dbraw/zinc/48/93/41/664489341.db2.gz DCSNLKDHOGXHEX-MRVPVSSYSA-N 1 1 306.330 -1.048 20 0 DAADMO O=C(NC[C@H]1CCCCC[N@@H+]1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000969054390 664489906 /nfs/dbraw/zinc/48/99/06/664489906.db2.gz SBULDHDTSZEKSQ-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO O=C(N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000969087334 664489917 /nfs/dbraw/zinc/48/99/17/664489917.db2.gz AYIWIUWALDOUPF-NEPJUHHUSA-N 1 1 319.365 -1.193 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2O)C1 ZINC000969067617 664489948 /nfs/dbraw/zinc/48/99/48/664489948.db2.gz OHFMLUTYNSBSLO-WCQGTBRESA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000969069989 664490017 /nfs/dbraw/zinc/49/00/17/664490017.db2.gz MKUGCLDMXTTXOO-WCQGTBRESA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001006633404 664490991 /nfs/dbraw/zinc/49/09/91/664490991.db2.gz UVTCSXIHIKZJHN-VHSXEESVSA-N 1 1 321.385 -1.262 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001006684834 664491536 /nfs/dbraw/zinc/49/15/36/664491536.db2.gz NLIUYUFWPGJIMV-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001006684834 664491539 /nfs/dbraw/zinc/49/15/39/664491539.db2.gz NLIUYUFWPGJIMV-VHSXEESVSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007116213 664493452 /nfs/dbraw/zinc/49/34/52/664493452.db2.gz HXGUITYWWRCYGE-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007116213 664493456 /nfs/dbraw/zinc/49/34/56/664493456.db2.gz HXGUITYWWRCYGE-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO Cn1nnc(CN2CCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001007001721 664493514 /nfs/dbraw/zinc/49/35/14/664493514.db2.gz MTDHLHHPMGZAAL-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001007001721 664493515 /nfs/dbraw/zinc/49/35/15/664493515.db2.gz MTDHLHHPMGZAAL-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccn(C)c(=O)c2)n1 ZINC001038610489 664493833 /nfs/dbraw/zinc/49/38/33/664493833.db2.gz KYWLYVZGAFDRNT-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccn(C)c(=O)c2)n1 ZINC001038610489 664493838 /nfs/dbraw/zinc/49/38/38/664493838.db2.gz KYWLYVZGAFDRNT-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001007202313 664493846 /nfs/dbraw/zinc/49/38/46/664493846.db2.gz FMZDJWFEXWDSRR-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001007202313 664493850 /nfs/dbraw/zinc/49/38/50/664493850.db2.gz FMZDJWFEXWDSRR-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038610450 664493898 /nfs/dbraw/zinc/49/38/98/664493898.db2.gz KLJLJVLANKBSRH-MNOVXSKESA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038610450 664493899 /nfs/dbraw/zinc/49/38/99/664493899.db2.gz KLJLJVLANKBSRH-MNOVXSKESA-N 1 1 320.357 -1.728 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001007202311 664493918 /nfs/dbraw/zinc/49/39/18/664493918.db2.gz FMZDJWFEXWDSRR-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001007202311 664493919 /nfs/dbraw/zinc/49/39/19/664493919.db2.gz FMZDJWFEXWDSRR-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007150218 664494026 /nfs/dbraw/zinc/49/40/26/664494026.db2.gz GZXXDAKJEQKKKP-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007150218 664494030 /nfs/dbraw/zinc/49/40/30/664494030.db2.gz GZXXDAKJEQKKKP-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341716 664494400 /nfs/dbraw/zinc/49/44/00/664494400.db2.gz BDASFSUFLNYRHR-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001007341716 664494404 /nfs/dbraw/zinc/49/44/04/664494404.db2.gz BDASFSUFLNYRHR-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007349116 664494447 /nfs/dbraw/zinc/49/44/47/664494447.db2.gz LCDWJLOXRIUPSK-NSHDSACASA-N 1 1 305.346 -1.455 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007343114 664494505 /nfs/dbraw/zinc/49/45/05/664494505.db2.gz LWUBNFSFHWQVES-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001007343114 664494507 /nfs/dbraw/zinc/49/45/07/664494507.db2.gz LWUBNFSFHWQVES-UWVGGRQHSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC001007340670 664494752 /nfs/dbraw/zinc/49/47/52/664494752.db2.gz VYOADCNVYVZLQK-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001007340670 664494753 /nfs/dbraw/zinc/49/47/53/664494753.db2.gz VYOADCNVYVZLQK-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007372448 664494884 /nfs/dbraw/zinc/49/48/84/664494884.db2.gz MKJXGCYRKSFFMO-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)C1 ZINC001007478789 664495322 /nfs/dbraw/zinc/49/53/22/664495322.db2.gz BUTHGNDDMCLBET-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001007458566 664495332 /nfs/dbraw/zinc/49/53/32/664495332.db2.gz ZEQFKOPMENEPLG-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504441 664495655 /nfs/dbraw/zinc/49/56/55/664495655.db2.gz JDYAWHLLSHUMKX-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504441 664495660 /nfs/dbraw/zinc/49/56/60/664495660.db2.gz JDYAWHLLSHUMKX-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007505182 664495738 /nfs/dbraw/zinc/49/57/38/664495738.db2.gz VHYCXGYOFYXCBL-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007505182 664495740 /nfs/dbraw/zinc/49/57/40/664495740.db2.gz VHYCXGYOFYXCBL-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504442 664495745 /nfs/dbraw/zinc/49/57/45/664495745.db2.gz JDYAWHLLSHUMKX-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007504442 664495746 /nfs/dbraw/zinc/49/57/46/664495746.db2.gz JDYAWHLLSHUMKX-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC001007654119 664496415 /nfs/dbraw/zinc/49/64/15/664496415.db2.gz AKYHPHCQAGQYHU-ABAIWWIYSA-N 1 1 324.381 -1.747 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702331 664496943 /nfs/dbraw/zinc/49/69/43/664496943.db2.gz DFELNGFVWUVKFP-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007702331 664496947 /nfs/dbraw/zinc/49/69/47/664496947.db2.gz DFELNGFVWUVKFP-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703238 664497081 /nfs/dbraw/zinc/49/70/81/664497081.db2.gz HEQLHIFQJRXXDP-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007703238 664497082 /nfs/dbraw/zinc/49/70/82/664497082.db2.gz HEQLHIFQJRXXDP-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706149 664497349 /nfs/dbraw/zinc/49/73/49/664497349.db2.gz OTNXHKBGSAZKCI-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007706149 664497351 /nfs/dbraw/zinc/49/73/51/664497351.db2.gz OTNXHKBGSAZKCI-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832068 664498251 /nfs/dbraw/zinc/49/82/51/664498251.db2.gz KHCVPRPZHJZBSC-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007832068 664498256 /nfs/dbraw/zinc/49/82/56/664498256.db2.gz KHCVPRPZHJZBSC-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007834422 664498454 /nfs/dbraw/zinc/49/84/54/664498454.db2.gz VFEFYEIAZBNPNQ-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995474 664498739 /nfs/dbraw/zinc/49/87/39/664498739.db2.gz JJMMGZMSJCGVKW-VHSXEESVSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995474 664498743 /nfs/dbraw/zinc/49/87/43/664498743.db2.gz JJMMGZMSJCGVKW-VHSXEESVSA-N 1 1 312.370 -1.845 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001007948257 664498751 /nfs/dbraw/zinc/49/87/51/664498751.db2.gz BEHHUKGZOKBTPM-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995470 664498798 /nfs/dbraw/zinc/49/87/98/664498798.db2.gz JJMMGZMSJCGVKW-UWVGGRQHSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1 ZINC001007995470 664498799 /nfs/dbraw/zinc/49/87/99/664498799.db2.gz JJMMGZMSJCGVKW-UWVGGRQHSA-N 1 1 312.370 -1.845 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001008165637 664499262 /nfs/dbraw/zinc/49/92/62/664499262.db2.gz XUFGWFCSNDFOAV-NEPJUHHUSA-N 1 1 321.385 -1.118 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC1=O ZINC001008178492 664499409 /nfs/dbraw/zinc/49/94/09/664499409.db2.gz PRFJVBFOMATGPH-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001008186427 664499822 /nfs/dbraw/zinc/49/98/22/664499822.db2.gz ZEACCKFIEOGIIV-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001008186427 664499823 /nfs/dbraw/zinc/49/98/23/664499823.db2.gz ZEACCKFIEOGIIV-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186418 664499842 /nfs/dbraw/zinc/49/98/42/664499842.db2.gz YYJNTTVNXHQGGY-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008186418 664499843 /nfs/dbraw/zinc/49/98/43/664499843.db2.gz YYJNTTVNXHQGGY-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001008211812 664500203 /nfs/dbraw/zinc/50/02/03/664500203.db2.gz FSZDXBBMSAQYEA-JTQLQIEISA-N 1 1 322.373 -1.571 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001008211812 664500204 /nfs/dbraw/zinc/50/02/04/664500204.db2.gz FSZDXBBMSAQYEA-JTQLQIEISA-N 1 1 322.373 -1.571 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365505 664500852 /nfs/dbraw/zinc/50/08/52/664500852.db2.gz OLRUHOHGQFOANN-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001008365505 664500854 /nfs/dbraw/zinc/50/08/54/664500854.db2.gz OLRUHOHGQFOANN-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC001008381726 664501453 /nfs/dbraw/zinc/50/14/53/664501453.db2.gz YJDKLYJGHLVKNU-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001008375374 664501729 /nfs/dbraw/zinc/50/17/29/664501729.db2.gz QTIZMMOWCBKWRR-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378522 664501751 /nfs/dbraw/zinc/50/17/51/664501751.db2.gz YIENWHCXQALXJF-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001008378522 664501756 /nfs/dbraw/zinc/50/17/56/664501756.db2.gz YIENWHCXQALXJF-JQWIXIFHSA-N 1 1 323.397 -1.131 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001008375380 664501932 /nfs/dbraw/zinc/50/19/32/664501932.db2.gz QTIZMMOWCBKWRR-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522760 664502825 /nfs/dbraw/zinc/50/28/25/664502825.db2.gz RDCPUYOAGUVDGU-NXEZZACHSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522760 664502827 /nfs/dbraw/zinc/50/28/27/664502827.db2.gz RDCPUYOAGUVDGU-NXEZZACHSA-N 1 1 312.370 -1.845 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001008547996 664503433 /nfs/dbraw/zinc/50/34/33/664503433.db2.gz QYZKDYCGGVYXSJ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001008547996 664503436 /nfs/dbraw/zinc/50/34/36/664503436.db2.gz QYZKDYCGGVYXSJ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1=O ZINC001008726119 664503933 /nfs/dbraw/zinc/50/39/33/664503933.db2.gz MMMVMKXIJBJFRX-VIFPVBQESA-N 1 1 312.326 -2.020 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001008845789 664504415 /nfs/dbraw/zinc/50/44/15/664504415.db2.gz MIPAAGILFUQIKG-OPASDULOSA-N 1 1 310.354 -1.453 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861363 664504653 /nfs/dbraw/zinc/50/46/53/664504653.db2.gz IYMWQZHNFULJGX-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001008861363 664504655 /nfs/dbraw/zinc/50/46/55/664504655.db2.gz IYMWQZHNFULJGX-MNOVXSKESA-N 1 1 322.365 -1.492 20 0 DAADMO COCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001008908485 664504803 /nfs/dbraw/zinc/50/48/03/664504803.db2.gz PKQVVLJGTKEGGJ-FVCCEPFGSA-N 1 1 311.382 -1.216 20 0 DAADMO COCC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001008908485 664504804 /nfs/dbraw/zinc/50/48/04/664504804.db2.gz PKQVVLJGTKEGGJ-FVCCEPFGSA-N 1 1 311.382 -1.216 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001009106758 664505398 /nfs/dbraw/zinc/50/53/98/664505398.db2.gz UOTITRDHIOSPNU-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)C1 ZINC001009135188 664505806 /nfs/dbraw/zinc/50/58/06/664505806.db2.gz WXBWQVABZGFPFU-VHSXEESVSA-N 1 1 320.353 -1.267 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001009261940 664506699 /nfs/dbraw/zinc/50/66/99/664506699.db2.gz CRRYLGZACACBCM-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001009446499 664508007 /nfs/dbraw/zinc/50/80/07/664508007.db2.gz VBUSVQGQYNRQDF-MNOVXSKESA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001009446499 664508008 /nfs/dbraw/zinc/50/80/08/664508008.db2.gz VBUSVQGQYNRQDF-MNOVXSKESA-N 1 1 320.353 -1.336 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009464190 664508410 /nfs/dbraw/zinc/50/84/10/664508410.db2.gz XRQLPXBLBJXHOL-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009464190 664508412 /nfs/dbraw/zinc/50/84/12/664508412.db2.gz XRQLPXBLBJXHOL-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496144 664508597 /nfs/dbraw/zinc/50/85/97/664508597.db2.gz NSRCUXUWWXJYOI-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496144 664508599 /nfs/dbraw/zinc/50/85/99/664508599.db2.gz NSRCUXUWWXJYOI-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819962 664511207 /nfs/dbraw/zinc/51/12/07/664511207.db2.gz ZGHUARSJXPKPBU-BDAKNGLRSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819962 664511209 /nfs/dbraw/zinc/51/12/09/664511209.db2.gz ZGHUARSJXPKPBU-BDAKNGLRSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819999 664511424 /nfs/dbraw/zinc/51/14/24/664511424.db2.gz ZGHUARSJXPKPBU-IUCAKERBSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C1)C(F)F ZINC001009819999 664511426 /nfs/dbraw/zinc/51/14/26/664511426.db2.gz ZGHUARSJXPKPBU-IUCAKERBSA-N 1 1 319.308 -1.048 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnccn1 ZINC001009968302 664511884 /nfs/dbraw/zinc/51/18/84/664511884.db2.gz NOVLCFIKAZPDIS-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnccn1 ZINC001009968302 664511886 /nfs/dbraw/zinc/51/18/86/664511886.db2.gz NOVLCFIKAZPDIS-SNVBAGLBSA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020730 664512168 /nfs/dbraw/zinc/51/21/68/664512168.db2.gz KLBRUUOVPKNXDC-VHSXEESVSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)C1=COCCO1 ZINC001010020730 664512171 /nfs/dbraw/zinc/51/21/71/664512171.db2.gz KLBRUUOVPKNXDC-VHSXEESVSA-N 1 1 309.322 -1.130 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030647 664512363 /nfs/dbraw/zinc/51/23/63/664512363.db2.gz NDFUUUUEUGFFEW-RYUDHWBXSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030647 664512367 /nfs/dbraw/zinc/51/23/67/664512367.db2.gz NDFUUUUEUGFFEW-RYUDHWBXSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010109184 664512535 /nfs/dbraw/zinc/51/25/35/664512535.db2.gz RNFPPFUDTYKKFE-DTWKUNHWSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010109184 664512538 /nfs/dbraw/zinc/51/25/38/664512538.db2.gz RNFPPFUDTYKKFE-DTWKUNHWSA-N 1 1 307.314 -2.331 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1=O ZINC001010081988 664512572 /nfs/dbraw/zinc/51/25/72/664512572.db2.gz BLIBXOHEUXRQKU-GFCCVEGCSA-N 1 1 317.353 -1.238 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001010105552 664512730 /nfs/dbraw/zinc/51/27/30/664512730.db2.gz JXRQCVFESINASO-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010091481 664512803 /nfs/dbraw/zinc/51/28/03/664512803.db2.gz BLCNQFIOWHPSOT-JTQLQIEISA-N 1 1 308.346 -2.111 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001010098619 664512814 /nfs/dbraw/zinc/51/28/14/664512814.db2.gz SKCXJBVFWHKSGY-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001010098619 664512815 /nfs/dbraw/zinc/51/28/15/664512815.db2.gz SKCXJBVFWHKSGY-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001010083331 664512818 /nfs/dbraw/zinc/51/28/18/664512818.db2.gz XBFGAQQUTZMWSF-JTQLQIEISA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010109196 664512827 /nfs/dbraw/zinc/51/28/27/664512827.db2.gz RNFPPFUDTYKKFE-RKDXNWHRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010109196 664512828 /nfs/dbraw/zinc/51/28/28/664512828.db2.gz RNFPPFUDTYKKFE-RKDXNWHRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001010081119 664512833 /nfs/dbraw/zinc/51/28/33/664512833.db2.gz RUPCGAAYYUJKGG-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001010083332 664512904 /nfs/dbraw/zinc/51/29/04/664512904.db2.gz XBFGAQQUTZMWSF-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001010091304 664512957 /nfs/dbraw/zinc/51/29/57/664512957.db2.gz ZTAKWEQXYACJRA-GHMZBOCLSA-N 1 1 317.357 -1.357 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001010245192 664513809 /nfs/dbraw/zinc/51/38/09/664513809.db2.gz DIONIMSOQYQCIQ-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010199527 664513835 /nfs/dbraw/zinc/51/38/35/664513835.db2.gz YSYBLCIKXLLYMI-GHMZBOCLSA-N 1 1 305.338 -1.121 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010199527 664513838 /nfs/dbraw/zinc/51/38/38/664513838.db2.gz YSYBLCIKXLLYMI-GHMZBOCLSA-N 1 1 305.338 -1.121 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365139 664514744 /nfs/dbraw/zinc/51/47/44/664514744.db2.gz PPAKLTXQMZUCIB-NWDGAFQWSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001010365139 664514745 /nfs/dbraw/zinc/51/47/45/664514745.db2.gz PPAKLTXQMZUCIB-NWDGAFQWSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]c1 ZINC001010319433 664514763 /nfs/dbraw/zinc/51/47/63/664514763.db2.gz IRNMGKSBEDLAOR-JTQLQIEISA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cn[nH]c1 ZINC001010319433 664514765 /nfs/dbraw/zinc/51/47/65/664514765.db2.gz IRNMGKSBEDLAOR-JTQLQIEISA-N 1 1 306.326 -1.234 20 0 DAADMO Cn1[nH]c(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nc1=O ZINC001010368848 664514771 /nfs/dbraw/zinc/51/47/71/664514771.db2.gz HINCOGUVKCBGIV-WDEREUQCSA-N 1 1 308.386 -1.107 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1CCOC1 ZINC001010360544 664514894 /nfs/dbraw/zinc/51/48/94/664514894.db2.gz PTGAEMWBQFAOBE-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO Nc1nccnc1C(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001010394479 664515135 /nfs/dbraw/zinc/51/51/35/664515135.db2.gz SJSXCPCXIYNJLI-JTQLQIEISA-N 1 1 319.369 -1.112 20 0 DAADMO Nc1nccnc1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010394479 664515137 /nfs/dbraw/zinc/51/51/37/664515137.db2.gz SJSXCPCXIYNJLI-JTQLQIEISA-N 1 1 319.369 -1.112 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001010383731 664515233 /nfs/dbraw/zinc/51/52/33/664515233.db2.gz YGBPYOHFAGKVTJ-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1cnnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425080 664515644 /nfs/dbraw/zinc/51/56/44/664515644.db2.gz AIETWVWQSQQAEB-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425080 664515646 /nfs/dbraw/zinc/51/56/46/664515646.db2.gz AIETWVWQSQQAEB-RYUDHWBXSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425078 664515986 /nfs/dbraw/zinc/51/59/86/664515986.db2.gz AIETWVWQSQQAEB-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425078 664515987 /nfs/dbraw/zinc/51/59/87/664515987.db2.gz AIETWVWQSQQAEB-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC(=O)C1 ZINC001010546631 664516115 /nfs/dbraw/zinc/51/61/15/664516115.db2.gz QOGXSIUFYYLXFJ-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500701 664516276 /nfs/dbraw/zinc/51/62/76/664516276.db2.gz XGCJUOYEHQVLSF-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500701 664516279 /nfs/dbraw/zinc/51/62/79/664516279.db2.gz XGCJUOYEHQVLSF-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)c1 ZINC001010570767 664516599 /nfs/dbraw/zinc/51/65/99/664516599.db2.gz RLCZOAZTRIUGBB-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)c1 ZINC001010570767 664516602 /nfs/dbraw/zinc/51/66/02/664516602.db2.gz RLCZOAZTRIUGBB-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010598072 664516879 /nfs/dbraw/zinc/51/68/79/664516879.db2.gz ZMTLEMANBQGKNF-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCCN(C(=O)C(N)=O)C3)C1 ZINC001010598072 664516881 /nfs/dbraw/zinc/51/68/81/664516881.db2.gz ZMTLEMANBQGKNF-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010661297 664517075 /nfs/dbraw/zinc/51/70/75/664517075.db2.gz DITVNXWJKUGISV-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010661297 664517079 /nfs/dbraw/zinc/51/70/79/664517079.db2.gz DITVNXWJKUGISV-RYUDHWBXSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001010667658 664517209 /nfs/dbraw/zinc/51/72/09/664517209.db2.gz IHYOYXHHZZHKTI-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001010667658 664517212 /nfs/dbraw/zinc/51/72/12/664517212.db2.gz IHYOYXHHZZHKTI-NSHDSACASA-N 1 1 322.369 -1.203 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1)C1CC1 ZINC001010671034 664517472 /nfs/dbraw/zinc/51/74/72/664517472.db2.gz STKLYVHXECMTGG-JTQLQIEISA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1)C1CC1 ZINC001010671034 664517477 /nfs/dbraw/zinc/51/74/77/664517477.db2.gz STKLYVHXECMTGG-JTQLQIEISA-N 1 1 322.369 -1.205 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001010697848 664518192 /nfs/dbraw/zinc/51/81/92/664518192.db2.gz MDZHQWRVDOKPGX-SNVBAGLBSA-N 1 1 323.357 -1.801 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010696063 664518241 /nfs/dbraw/zinc/51/82/41/664518241.db2.gz GIWHLSRJXDEOSV-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696606 664518302 /nfs/dbraw/zinc/51/83/02/664518302.db2.gz HZAACVNXDZBJPQ-KOLCDFICSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696606 664518303 /nfs/dbraw/zinc/51/83/03/664518303.db2.gz HZAACVNXDZBJPQ-KOLCDFICSA-N 1 1 322.369 -1.159 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001010699083 664518319 /nfs/dbraw/zinc/51/83/19/664518319.db2.gz QTPOZKLIGPCBRR-VHSXEESVSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001010699083 664518320 /nfs/dbraw/zinc/51/83/20/664518320.db2.gz QTPOZKLIGPCBRR-VHSXEESVSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010699131 664518361 /nfs/dbraw/zinc/51/83/61/664518361.db2.gz RFXFZCWMJVWMMA-SNVBAGLBSA-N 1 1 308.342 -1.547 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010699131 664518364 /nfs/dbraw/zinc/51/83/64/664518364.db2.gz RFXFZCWMJVWMMA-SNVBAGLBSA-N 1 1 308.342 -1.547 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695901 664518398 /nfs/dbraw/zinc/51/83/98/664518398.db2.gz FHQCXEVGGTZRFF-NXEZZACHSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695901 664518401 /nfs/dbraw/zinc/51/84/01/664518401.db2.gz FHQCXEVGGTZRFF-NXEZZACHSA-N 1 1 310.358 -1.349 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696607 664518421 /nfs/dbraw/zinc/51/84/21/664518421.db2.gz HZAACVNXDZBJPQ-MWLCHTKSSA-N 1 1 322.369 -1.159 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010696607 664518426 /nfs/dbraw/zinc/51/84/26/664518426.db2.gz HZAACVNXDZBJPQ-MWLCHTKSSA-N 1 1 322.369 -1.159 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001010727409 664518685 /nfs/dbraw/zinc/51/86/85/664518685.db2.gz JJCUWQUJRZDFCC-WOPDTQHZSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784645 664519110 /nfs/dbraw/zinc/51/91/10/664519110.db2.gz PXNUUWYWLDGZTB-NEPJUHHUSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001010784645 664519111 /nfs/dbraw/zinc/51/91/11/664519111.db2.gz PXNUUWYWLDGZTB-NEPJUHHUSA-N 1 1 322.365 -1.540 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001010762556 664519118 /nfs/dbraw/zinc/51/91/18/664519118.db2.gz ZEOMKTZZKUNSTP-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001010762556 664519120 /nfs/dbraw/zinc/51/91/20/664519120.db2.gz ZEOMKTZZKUNSTP-CHWSQXEVSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001010762558 664519226 /nfs/dbraw/zinc/51/92/26/664519226.db2.gz ZEOMKTZZKUNSTP-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC001010762558 664519230 /nfs/dbraw/zinc/51/92/30/664519230.db2.gz ZEOMKTZZKUNSTP-QWHCGFSZSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001010780209 664519382 /nfs/dbraw/zinc/51/93/82/664519382.db2.gz LBJXVEWIJOBMCF-OLZOCXBDSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)C1 ZINC001010780209 664519384 /nfs/dbraw/zinc/51/93/84/664519384.db2.gz LBJXVEWIJOBMCF-OLZOCXBDSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001010804878 664520192 /nfs/dbraw/zinc/52/01/92/664520192.db2.gz WFKSMKLPBCCADZ-NWDGAFQWSA-N 1 1 324.381 -1.604 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001010845202 664521034 /nfs/dbraw/zinc/52/10/34/664521034.db2.gz WHEYZDYTZKSNLY-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001010845202 664521037 /nfs/dbraw/zinc/52/10/37/664521037.db2.gz WHEYZDYTZKSNLY-VIFPVBQESA-N 1 1 321.341 -1.829 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001010841188 664521158 /nfs/dbraw/zinc/52/11/58/664521158.db2.gz MVZVWUBLCAXADE-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001010841188 664521164 /nfs/dbraw/zinc/52/11/64/664521164.db2.gz MVZVWUBLCAXADE-JTQLQIEISA-N 1 1 320.353 -1.232 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001010879621 664521555 /nfs/dbraw/zinc/52/15/55/664521555.db2.gz ZZCRIEFZTRVQET-LBPRGKRZSA-N 1 1 321.381 -1.046 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001010879621 664521557 /nfs/dbraw/zinc/52/15/57/664521557.db2.gz ZZCRIEFZTRVQET-LBPRGKRZSA-N 1 1 321.381 -1.046 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001010870833 664521827 /nfs/dbraw/zinc/52/18/27/664521827.db2.gz GIXPWOBVXDTYML-ZIAGYGMSSA-N 1 1 324.425 -1.061 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)nn1 ZINC001010873023 664521884 /nfs/dbraw/zinc/52/18/84/664521884.db2.gz BGVKFRAWPHNPMF-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010876635 664521942 /nfs/dbraw/zinc/52/19/42/664521942.db2.gz KRRMGLRQIDREBB-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010876635 664521944 /nfs/dbraw/zinc/52/19/44/664521944.db2.gz KRRMGLRQIDREBB-LBPRGKRZSA-N 1 1 322.369 -1.570 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001010873614 664522178 /nfs/dbraw/zinc/52/21/78/664522178.db2.gz AKSMQJSXIDHBQG-LLVKDONJSA-N 1 1 323.357 -2.326 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001010873614 664522184 /nfs/dbraw/zinc/52/21/84/664522184.db2.gz AKSMQJSXIDHBQG-LLVKDONJSA-N 1 1 323.357 -2.326 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001010878084 664522197 /nfs/dbraw/zinc/52/21/97/664522197.db2.gz ZIIFHPLCBLFXJV-VXGBXAGGSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001010878084 664522204 /nfs/dbraw/zinc/52/22/04/664522204.db2.gz ZIIFHPLCBLFXJV-VXGBXAGGSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001011029081 664523671 /nfs/dbraw/zinc/52/36/71/664523671.db2.gz GOYDBIPAUSOAJI-NSHDSACASA-N 1 1 322.369 -1.394 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC001011158846 664526353 /nfs/dbraw/zinc/52/63/53/664526353.db2.gz HKHVIDCFADZHGF-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001011217374 664527810 /nfs/dbraw/zinc/52/78/10/664527810.db2.gz WCJAVGFKTZFZRS-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001011217374 664527813 /nfs/dbraw/zinc/52/78/13/664527813.db2.gz WCJAVGFKTZFZRS-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3nnn(C)n3)CC2)CC[N@H+]1C ZINC001011209130 664527867 /nfs/dbraw/zinc/52/78/67/664527867.db2.gz IRDQDHHAJCRQJD-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011263050 664528113 /nfs/dbraw/zinc/52/81/13/664528113.db2.gz HLKRMUGLCBCQGG-NSHDSACASA-N 1 1 322.369 -2.031 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)O1 ZINC001011322342 664529190 /nfs/dbraw/zinc/52/91/90/664529190.db2.gz SHEGSPRHYBIIHC-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN(C(=O)c3cn[nH]n3)CC2)O1 ZINC001011322342 664529196 /nfs/dbraw/zinc/52/91/96/664529196.db2.gz SHEGSPRHYBIIHC-ZYHUDNBSSA-N 1 1 322.369 -1.192 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001011648117 664532365 /nfs/dbraw/zinc/53/23/65/664532365.db2.gz QTDKHIXCTYFCMP-NSHDSACASA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001012290792 664541206 /nfs/dbraw/zinc/54/12/06/664541206.db2.gz PBDATZCKZFRHFE-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001012290993 664541695 /nfs/dbraw/zinc/54/16/95/664541695.db2.gz RBFGAITZFBNOLG-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001013071329 664546271 /nfs/dbraw/zinc/54/62/71/664546271.db2.gz SCFSKMJXZIREEB-IUCAKERBSA-N 1 1 323.353 -1.059 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncc[nH]1 ZINC001014368966 664553120 /nfs/dbraw/zinc/55/31/20/664553120.db2.gz BOSMCLHWWIUVBC-VIFPVBQESA-N 1 1 306.326 -1.234 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncc[nH]1 ZINC001014368966 664553121 /nfs/dbraw/zinc/55/31/21/664553121.db2.gz BOSMCLHWWIUVBC-VIFPVBQESA-N 1 1 306.326 -1.234 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001014392822 664553476 /nfs/dbraw/zinc/55/34/76/664553476.db2.gz FCVIGUSOULJDFB-LLVKDONJSA-N 1 1 321.385 -1.129 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392240 664553686 /nfs/dbraw/zinc/55/36/86/664553686.db2.gz DMFXEKVXBRHYNV-VXGBXAGGSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001014392240 664553690 /nfs/dbraw/zinc/55/36/90/664553690.db2.gz DMFXEKVXBRHYNV-VXGBXAGGSA-N 1 1 319.365 -1.042 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)[nH]1 ZINC001014392827 664553798 /nfs/dbraw/zinc/55/37/98/664553798.db2.gz FCVIGUSOULJDFB-NSHDSACASA-N 1 1 321.385 -1.129 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1=O ZINC001014426163 664553971 /nfs/dbraw/zinc/55/39/71/664553971.db2.gz FUGIYTHAJBQFDK-LBPRGKRZSA-N 1 1 317.353 -1.238 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014427277 664554002 /nfs/dbraw/zinc/55/40/02/664554002.db2.gz JHKPMAVZERFCBA-BDAKNGLRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014427277 664554006 /nfs/dbraw/zinc/55/40/06/664554006.db2.gz JHKPMAVZERFCBA-BDAKNGLRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014427280 664554051 /nfs/dbraw/zinc/55/40/51/664554051.db2.gz JHKPMAVZERFCBA-IUCAKERBSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014427280 664554053 /nfs/dbraw/zinc/55/40/53/664554053.db2.gz JHKPMAVZERFCBA-IUCAKERBSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014427282 664554248 /nfs/dbraw/zinc/55/42/48/664554248.db2.gz JHKPMAVZERFCBA-RKDXNWHRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014427282 664554249 /nfs/dbraw/zinc/55/42/49/664554249.db2.gz JHKPMAVZERFCBA-RKDXNWHRSA-N 1 1 307.314 -2.331 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001014428087 664554255 /nfs/dbraw/zinc/55/42/55/664554255.db2.gz KAWYGMFSALJKSS-WDEREUQCSA-N 1 1 317.357 -1.357 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425308 664554280 /nfs/dbraw/zinc/55/42/80/664554280.db2.gz DNNCVKUOPLVGOP-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425308 664554281 /nfs/dbraw/zinc/55/42/81/664554281.db2.gz DNNCVKUOPLVGOP-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441093 664554591 /nfs/dbraw/zinc/55/45/91/664554591.db2.gz YIUFVTXKHZILBV-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441093 664554592 /nfs/dbraw/zinc/55/45/92/664554592.db2.gz YIUFVTXKHZILBV-VHSXEESVSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441090 664554663 /nfs/dbraw/zinc/55/46/63/664554663.db2.gz YIUFVTXKHZILBV-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014441090 664554665 /nfs/dbraw/zinc/55/46/65/664554665.db2.gz YIUFVTXKHZILBV-UWVGGRQHSA-N 1 1 324.381 -1.164 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001014431766 664554674 /nfs/dbraw/zinc/55/46/74/664554674.db2.gz VEOKOJUUPPGVPE-RYUDHWBXSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489230 664555278 /nfs/dbraw/zinc/55/52/78/664555278.db2.gz BWMXCVCHMVBGHC-JGVFFNPUSA-N 1 1 309.330 -2.559 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014489230 664555280 /nfs/dbraw/zinc/55/52/80/664555280.db2.gz BWMXCVCHMVBGHC-JGVFFNPUSA-N 1 1 309.330 -2.559 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506208 664555496 /nfs/dbraw/zinc/55/54/96/664555496.db2.gz FYHMUOJXFBGTDR-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014506208 664555498 /nfs/dbraw/zinc/55/54/98/664555498.db2.gz FYHMUOJXFBGTDR-RKDXNWHRSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001014503940 664555507 /nfs/dbraw/zinc/55/55/07/664555507.db2.gz SYAHAYCWLMTYEE-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014566160 664555726 /nfs/dbraw/zinc/55/57/26/664555726.db2.gz OTLQJIJTKSAGRP-NXEZZACHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014566160 664555728 /nfs/dbraw/zinc/55/57/28/664555728.db2.gz OTLQJIJTKSAGRP-NXEZZACHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014566163 664555789 /nfs/dbraw/zinc/55/57/89/664555789.db2.gz OTLQJIJTKSAGRP-ZJUUUORDSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001014566163 664555791 /nfs/dbraw/zinc/55/57/91/664555791.db2.gz OTLQJIJTKSAGRP-ZJUUUORDSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014566162 664556005 /nfs/dbraw/zinc/55/60/05/664556005.db2.gz OTLQJIJTKSAGRP-VHSXEESVSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001014566162 664556006 /nfs/dbraw/zinc/55/60/06/664556006.db2.gz OTLQJIJTKSAGRP-VHSXEESVSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579782 664556008 /nfs/dbraw/zinc/55/60/08/664556008.db2.gz NBZPMICQVAZRRX-MWLCHTKSSA-N 1 1 315.337 -1.183 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccn2nnnc12 ZINC001014579782 664556009 /nfs/dbraw/zinc/55/60/09/664556009.db2.gz NBZPMICQVAZRRX-MWLCHTKSSA-N 1 1 315.337 -1.183 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628063 664556227 /nfs/dbraw/zinc/55/62/27/664556227.db2.gz PIINTFMOLZUNFN-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1C(=O)CCC1=O ZINC001014628063 664556228 /nfs/dbraw/zinc/55/62/28/664556228.db2.gz PIINTFMOLZUNFN-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014630079 664556889 /nfs/dbraw/zinc/55/68/89/664556889.db2.gz MLNFMYHQJKPSOL-QWRGUYRKSA-N 1 1 310.354 -1.882 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014736707 664557058 /nfs/dbraw/zinc/55/70/58/664557058.db2.gz MRWOVUHXYYCEID-GFCCVEGCSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014736707 664557062 /nfs/dbraw/zinc/55/70/62/664557062.db2.gz MRWOVUHXYYCEID-GFCCVEGCSA-N 1 1 324.381 -1.732 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014736683 664557117 /nfs/dbraw/zinc/55/71/17/664557117.db2.gz MMWVMICDFAMSFD-LBPRGKRZSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014736683 664557120 /nfs/dbraw/zinc/55/71/20/664557120.db2.gz MMWVMICDFAMSFD-LBPRGKRZSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)cn1 ZINC001014738270 664557225 /nfs/dbraw/zinc/55/72/25/664557225.db2.gz VVAKNKBLMPLXPZ-CYBMUJFWSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)cn1 ZINC001014738270 664557226 /nfs/dbraw/zinc/55/72/26/664557226.db2.gz VVAKNKBLMPLXPZ-CYBMUJFWSA-N 1 1 321.381 -1.031 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014736718 664557233 /nfs/dbraw/zinc/55/72/33/664557233.db2.gz MRWOVUHXYYCEID-LBPRGKRZSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014736718 664557234 /nfs/dbraw/zinc/55/72/34/664557234.db2.gz MRWOVUHXYYCEID-LBPRGKRZSA-N 1 1 324.381 -1.732 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014736682 664557370 /nfs/dbraw/zinc/55/73/70/664557370.db2.gz MMWVMICDFAMSFD-GFCCVEGCSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014736682 664557372 /nfs/dbraw/zinc/55/73/72/664557372.db2.gz MMWVMICDFAMSFD-GFCCVEGCSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001014784000 664557570 /nfs/dbraw/zinc/55/75/70/664557570.db2.gz HRIHQBPGVVYRDZ-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001014784000 664557571 /nfs/dbraw/zinc/55/75/71/664557571.db2.gz HRIHQBPGVVYRDZ-GXSJLCMTSA-N 1 1 305.338 -1.527 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001014776913 664557604 /nfs/dbraw/zinc/55/76/04/664557604.db2.gz RWXHKAAYDPTUIK-MNOVXSKESA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001014785049 664557828 /nfs/dbraw/zinc/55/78/28/664557828.db2.gz LAUIUABOUHQVEG-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc1=O ZINC001014785049 664557831 /nfs/dbraw/zinc/55/78/31/664557831.db2.gz LAUIUABOUHQVEG-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840231 664558211 /nfs/dbraw/zinc/55/82/11/664558211.db2.gz QJJYQFDFHMNOTE-VHSXEESVSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cn[nH]c(=O)c1 ZINC001014840231 664558213 /nfs/dbraw/zinc/55/82/13/664558213.db2.gz QJJYQFDFHMNOTE-VHSXEESVSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCCNC1=O ZINC001014820226 664558230 /nfs/dbraw/zinc/55/82/30/664558230.db2.gz BHTJIMZIXQPIJK-NEPJUHHUSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874139 664558254 /nfs/dbraw/zinc/55/82/54/664558254.db2.gz KFRQBYWVHMQTRR-WPRPVWTQSA-N 1 1 319.321 -1.209 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)c1cnc[nH]c1=O ZINC001014874139 664558257 /nfs/dbraw/zinc/55/82/57/664558257.db2.gz KFRQBYWVHMQTRR-WPRPVWTQSA-N 1 1 319.321 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937949 664558490 /nfs/dbraw/zinc/55/84/90/664558490.db2.gz OYBZGBSRNCKYNK-KOLCDFICSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937949 664558491 /nfs/dbraw/zinc/55/84/91/664558491.db2.gz OYBZGBSRNCKYNK-KOLCDFICSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937951 664558640 /nfs/dbraw/zinc/55/86/40/664558640.db2.gz OYBZGBSRNCKYNK-ONGXEEELSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937951 664558643 /nfs/dbraw/zinc/55/86/43/664558643.db2.gz OYBZGBSRNCKYNK-ONGXEEELSA-N 1 1 319.365 -1.213 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005780 664559006 /nfs/dbraw/zinc/55/90/06/664559006.db2.gz WTPAYIJNZKHXRE-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005780 664559007 /nfs/dbraw/zinc/55/90/07/664559007.db2.gz WTPAYIJNZKHXRE-VHSXEESVSA-N 1 1 310.358 -1.964 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1=O ZINC001014999050 664559058 /nfs/dbraw/zinc/55/90/58/664559058.db2.gz GETAFRQBZPTPGZ-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)c1=O ZINC001015004511 664559120 /nfs/dbraw/zinc/55/91/20/664559120.db2.gz QOJLANAFAPQSCF-GHMZBOCLSA-N 1 1 322.369 -1.997 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)c1=O ZINC001015004511 664559121 /nfs/dbraw/zinc/55/91/21/664559121.db2.gz QOJLANAFAPQSCF-GHMZBOCLSA-N 1 1 322.369 -1.997 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014993511 664559200 /nfs/dbraw/zinc/55/92/00/664559200.db2.gz ACBIGGCHNNSBSM-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)c1=O ZINC001015006971 664559549 /nfs/dbraw/zinc/55/95/49/664559549.db2.gz DGOFKDXXQOBONV-LLVKDONJSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)c1=O ZINC001015006971 664559550 /nfs/dbraw/zinc/55/95/50/664559550.db2.gz DGOFKDXXQOBONV-LLVKDONJSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)c1=O ZINC001015008835 664559628 /nfs/dbraw/zinc/55/96/28/664559628.db2.gz LIEYDOYKRKXNGS-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)c1=O ZINC001015008835 664559630 /nfs/dbraw/zinc/55/96/30/664559630.db2.gz LIEYDOYKRKXNGS-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CCC(=O)NC1 ZINC001015051295 664559788 /nfs/dbraw/zinc/55/97/88/664559788.db2.gz ZTFLGBCDPGBZHN-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001015042139 664559819 /nfs/dbraw/zinc/55/98/19/664559819.db2.gz IGFQSVOPRXBRQI-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015079927 664559895 /nfs/dbraw/zinc/55/98/95/664559895.db2.gz DDZQRJCHXGFVPC-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015079927 664559899 /nfs/dbraw/zinc/55/98/99/664559899.db2.gz DDZQRJCHXGFVPC-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046202 664559960 /nfs/dbraw/zinc/55/99/60/664559960.db2.gz YKXZYCHRBAVUMG-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046202 664559962 /nfs/dbraw/zinc/55/99/62/664559962.db2.gz YKXZYCHRBAVUMG-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046204 664560162 /nfs/dbraw/zinc/56/01/62/664560162.db2.gz YKXZYCHRBAVUMG-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1)N1CCC1 ZINC001015046204 664560164 /nfs/dbraw/zinc/56/01/64/664560164.db2.gz YKXZYCHRBAVUMG-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cn[nH]n1 ZINC001015057074 664560169 /nfs/dbraw/zinc/56/01/69/664560169.db2.gz GJHBUFUGFJOTSD-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057074 664560172 /nfs/dbraw/zinc/56/01/72/664560172.db2.gz GJHBUFUGFJOTSD-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057074 664560173 /nfs/dbraw/zinc/56/01/73/664560173.db2.gz GJHBUFUGFJOTSD-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)NC1 ZINC001015042141 664560205 /nfs/dbraw/zinc/56/02/05/664560205.db2.gz IGFQSVOPRXBRQI-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001015079994 664560223 /nfs/dbraw/zinc/56/02/23/664560223.db2.gz FFQHYWLHUVGNQF-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001015079994 664560225 /nfs/dbraw/zinc/56/02/25/664560225.db2.gz FFQHYWLHUVGNQF-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093381 664560375 /nfs/dbraw/zinc/56/03/75/664560375.db2.gz YXDNFNQMMDSEPD-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093381 664560376 /nfs/dbraw/zinc/56/03/76/664560376.db2.gz YXDNFNQMMDSEPD-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092153 664560394 /nfs/dbraw/zinc/56/03/94/664560394.db2.gz SICLLPWHSZVLAL-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092153 664560396 /nfs/dbraw/zinc/56/03/96/664560396.db2.gz SICLLPWHSZVLAL-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015136589 664560829 /nfs/dbraw/zinc/56/08/29/664560829.db2.gz CTHYNKIYKXEMPC-VHSXEESVSA-N 1 1 321.337 -1.972 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015136589 664560831 /nfs/dbraw/zinc/56/08/31/664560831.db2.gz CTHYNKIYKXEMPC-VHSXEESVSA-N 1 1 321.337 -1.972 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001015125603 664560865 /nfs/dbraw/zinc/56/08/65/664560865.db2.gz DMWKCAJRGJSQEE-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015125603 664560868 /nfs/dbraw/zinc/56/08/68/664560868.db2.gz DMWKCAJRGJSQEE-JTQLQIEISA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001015125610 664560888 /nfs/dbraw/zinc/56/08/88/664560888.db2.gz DMWKCAJRGJSQEE-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015125610 664560891 /nfs/dbraw/zinc/56/08/91/664560891.db2.gz DMWKCAJRGJSQEE-SNVBAGLBSA-N 1 1 320.353 -1.224 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015130354 664560984 /nfs/dbraw/zinc/56/09/84/664560984.db2.gz ZIPTYJDXGUINCB-MNOVXSKESA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015130354 664560985 /nfs/dbraw/zinc/56/09/85/664560985.db2.gz ZIPTYJDXGUINCB-MNOVXSKESA-N 1 1 319.365 -1.183 20 0 DAADMO NC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015323878 664561855 /nfs/dbraw/zinc/56/18/55/664561855.db2.gz LUAQVNYRDVVNOF-XWAURUHHSA-N 1 1 308.382 -1.475 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015289275 664561927 /nfs/dbraw/zinc/56/19/27/664561927.db2.gz ILJDXWVABOBUAC-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326402 664562157 /nfs/dbraw/zinc/56/21/57/664562157.db2.gz ZOAMMUAKNSCKHL-BWAOXVRWSA-N 1 1 322.409 -1.214 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329926 664562269 /nfs/dbraw/zinc/56/22/69/664562269.db2.gz NITSSSNTVCJFOJ-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329926 664562271 /nfs/dbraw/zinc/56/22/71/664562271.db2.gz NITSSSNTVCJFOJ-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CNC(=O)C1 ZINC001015374189 664562397 /nfs/dbraw/zinc/56/23/97/664562397.db2.gz ANBBVJYRSLOMDP-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347541 664562419 /nfs/dbraw/zinc/56/24/19/664562419.db2.gz DVSJQVWYPUDWIA-MNOVXSKESA-N 1 1 317.411 -1.254 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001015347542 664562499 /nfs/dbraw/zinc/56/24/99/664562499.db2.gz DVSJQVWYPUDWIA-QWRGUYRKSA-N 1 1 317.411 -1.254 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)CNC(=O)C1 ZINC001015374188 664562542 /nfs/dbraw/zinc/56/25/42/664562542.db2.gz ANBBVJYRSLOMDP-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)C2)nn1-c1nc[nH]n1 ZINC001015456763 664562827 /nfs/dbraw/zinc/56/28/27/664562827.db2.gz OCIFPQFFOUXBIB-PSASIEDQSA-N 1 1 320.357 -1.121 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001015469463 664562831 /nfs/dbraw/zinc/56/28/31/664562831.db2.gz FYQWJIBRBQCFQA-LLVKDONJSA-N 1 1 321.381 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001015469463 664562832 /nfs/dbraw/zinc/56/28/32/664562832.db2.gz FYQWJIBRBQCFQA-LLVKDONJSA-N 1 1 321.381 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001015469464 664562872 /nfs/dbraw/zinc/56/28/72/664562872.db2.gz FYQWJIBRBQCFQA-NSHDSACASA-N 1 1 321.381 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001015469464 664562873 /nfs/dbraw/zinc/56/28/73/664562873.db2.gz FYQWJIBRBQCFQA-NSHDSACASA-N 1 1 321.381 -1.053 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)nn1-c1nc[nH]n1 ZINC001015454320 664562966 /nfs/dbraw/zinc/56/29/66/664562966.db2.gz CHKCGWQQMRRPRL-SNVBAGLBSA-N 1 1 320.357 -1.120 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)C2)nn1-c1nc[nH]n1 ZINC001015456775 664563131 /nfs/dbraw/zinc/56/31/31/664563131.db2.gz OCIFPQFFOUXBIB-WPRPVWTQSA-N 1 1 320.357 -1.121 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015487304 664563545 /nfs/dbraw/zinc/56/35/45/664563545.db2.gz LHGHDKQAEOLTTQ-WCBMZHEXSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c1=O ZINC001015487304 664563547 /nfs/dbraw/zinc/56/35/47/664563547.db2.gz LHGHDKQAEOLTTQ-WCBMZHEXSA-N 1 1 321.337 -1.822 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001015489815 664563615 /nfs/dbraw/zinc/56/36/15/664563615.db2.gz VICBGVBGSQAKMS-VIFPVBQESA-N 1 1 321.341 -1.531 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015489815 664563616 /nfs/dbraw/zinc/56/36/16/664563616.db2.gz VICBGVBGSQAKMS-VIFPVBQESA-N 1 1 321.341 -1.531 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510113 664563802 /nfs/dbraw/zinc/56/38/02/664563802.db2.gz RESZWIFSFGVBSS-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001015510113 664563803 /nfs/dbraw/zinc/56/38/03/664563803.db2.gz RESZWIFSFGVBSS-NWDGAFQWSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508950 664563972 /nfs/dbraw/zinc/56/39/72/664563972.db2.gz IGCRNJVIXUSIRE-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)C1CC1 ZINC001015508950 664563974 /nfs/dbraw/zinc/56/39/74/664563974.db2.gz IGCRNJVIXUSIRE-CMPLNLGQSA-N 1 1 323.397 -1.179 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001015510517 664564033 /nfs/dbraw/zinc/56/40/33/664564033.db2.gz SHYKYMYBMCNTTL-CYBMUJFWSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001015510517 664564035 /nfs/dbraw/zinc/56/40/35/664564035.db2.gz SHYKYMYBMCNTTL-CYBMUJFWSA-N 1 1 320.397 -1.458 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001015511061 664564087 /nfs/dbraw/zinc/56/40/87/664564087.db2.gz VEAVMZFGRCNWIY-QWRGUYRKSA-N 1 1 307.358 -1.508 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509945 664564130 /nfs/dbraw/zinc/56/41/30/664564130.db2.gz QAYCHIQZLLYQJX-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509945 664564131 /nfs/dbraw/zinc/56/41/31/664564131.db2.gz QAYCHIQZLLYQJX-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)NC1=O ZINC001015520220 664564242 /nfs/dbraw/zinc/56/42/42/664564242.db2.gz RAFLLPMTOXZJOJ-MNOVXSKESA-N 1 1 324.385 -1.774 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCNC1=O ZINC001015517728 664564435 /nfs/dbraw/zinc/56/44/35/664564435.db2.gz FKCVQGPXQZVEEA-MNOVXSKESA-N 1 1 322.365 -1.538 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)NC1=O ZINC001015520221 664564511 /nfs/dbraw/zinc/56/45/11/664564511.db2.gz RAFLLPMTOXZJOJ-QWRGUYRKSA-N 1 1 324.385 -1.774 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)NC1=O ZINC001015520222 664564600 /nfs/dbraw/zinc/56/46/00/664564600.db2.gz RAFLLPMTOXZJOJ-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C2)n1 ZINC001015552765 664564979 /nfs/dbraw/zinc/56/49/79/664564979.db2.gz GRFWRNAXIZUYKC-ZJUUUORDSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)n1 ZINC001015551384 664565002 /nfs/dbraw/zinc/56/50/02/664565002.db2.gz URYQEIYPTPKKMP-LLVKDONJSA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)C2)n1 ZINC001015555975 664565066 /nfs/dbraw/zinc/56/50/66/664565066.db2.gz ZBRRKPSCYUJDEZ-JTQLQIEISA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C2)n1 ZINC001015554617 664565203 /nfs/dbraw/zinc/56/52/03/664565203.db2.gz OYHVFIIHRPBHTN-GHMZBOCLSA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001015556524 664565277 /nfs/dbraw/zinc/56/52/77/664565277.db2.gz IKRNPTRYXQADKG-WDEREUQCSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)n1 ZINC001015554624 664565355 /nfs/dbraw/zinc/56/53/55/664565355.db2.gz PCBOBLQYDNQOBO-SNVBAGLBSA-N 1 1 307.358 -1.363 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)n1 ZINC001015554624 664565357 /nfs/dbraw/zinc/56/53/57/664565357.db2.gz PCBOBLQYDNQOBO-SNVBAGLBSA-N 1 1 307.358 -1.363 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015599866 664565555 /nfs/dbraw/zinc/56/55/55/664565555.db2.gz WADJAXHVJKQBRE-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1=O ZINC001015565605 664565575 /nfs/dbraw/zinc/56/55/75/664565575.db2.gz DFRDKHQPMROPLL-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622021 664565627 /nfs/dbraw/zinc/56/56/27/664565627.db2.gz BABOIPAQSOTIMI-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)c1c[nH]c(=O)cn1 ZINC001015622021 664565628 /nfs/dbraw/zinc/56/56/28/664565628.db2.gz BABOIPAQSOTIMI-ONGXEEELSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570315 664565680 /nfs/dbraw/zinc/56/56/80/664565680.db2.gz UPAMFHMHDBSOFW-ZTVLKNOQSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570315 664565682 /nfs/dbraw/zinc/56/56/82/664565682.db2.gz UPAMFHMHDBSOFW-ZTVLKNOQSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)c1c[nH]c(=O)cn1 ZINC001015622005 664565700 /nfs/dbraw/zinc/56/57/00/664565700.db2.gz ANXMEUFGJWICOU-SNVBAGLBSA-N 1 1 303.326 -1.134 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1=O ZINC001015634570 664565934 /nfs/dbraw/zinc/56/59/34/664565934.db2.gz MKHMHUGHHFPBIV-NWDGAFQWSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633847 664565973 /nfs/dbraw/zinc/56/59/73/664565973.db2.gz JKRMHKXYSYHKPC-CMPLNLGQSA-N 1 1 306.370 -1.166 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633836 664566166 /nfs/dbraw/zinc/56/61/66/664566166.db2.gz JETODMOGAJLRCA-KOLCDFICSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633836 664566168 /nfs/dbraw/zinc/56/61/68/664566168.db2.gz JETODMOGAJLRCA-KOLCDFICSA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015638272 664566578 /nfs/dbraw/zinc/56/65/78/664566578.db2.gz VMLMVYAAJMULDV-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)n1 ZINC001015640443 664566627 /nfs/dbraw/zinc/56/66/27/664566627.db2.gz NQHRYXVUFPECRZ-VIFPVBQESA-N 1 1 309.374 -1.354 20 0 DAADMO CC(C)(C)n1nnc(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)n1 ZINC001015640443 664566629 /nfs/dbraw/zinc/56/66/29/664566629.db2.gz NQHRYXVUFPECRZ-VIFPVBQESA-N 1 1 309.374 -1.354 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695608 664567064 /nfs/dbraw/zinc/56/70/64/664567064.db2.gz LWBAAZJDAILBDQ-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695608 664567065 /nfs/dbraw/zinc/56/70/65/664567065.db2.gz LWBAAZJDAILBDQ-IAQYHMDHSA-N 1 1 308.382 -1.065 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001015713621 664567168 /nfs/dbraw/zinc/56/71/68/664567168.db2.gz PWSOOZIWUMKPNO-KWQFWETISA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001015713621 664567169 /nfs/dbraw/zinc/56/71/69/664567169.db2.gz PWSOOZIWUMKPNO-KWQFWETISA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001015713619 664567171 /nfs/dbraw/zinc/56/71/71/664567171.db2.gz PWSOOZIWUMKPNO-GZMMTYOYSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001015713619 664567172 /nfs/dbraw/zinc/56/71/72/664567172.db2.gz PWSOOZIWUMKPNO-GZMMTYOYSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001015711940 664567177 /nfs/dbraw/zinc/56/71/77/664567177.db2.gz VAVPOWGIKPLRJC-UTUOFQBUSA-N 1 1 324.381 -1.843 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001015711940 664567178 /nfs/dbraw/zinc/56/71/78/664567178.db2.gz VAVPOWGIKPLRJC-UTUOFQBUSA-N 1 1 324.381 -1.843 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001015713622 664567231 /nfs/dbraw/zinc/56/72/31/664567231.db2.gz PWSOOZIWUMKPNO-LDYMZIIASA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001015713622 664567232 /nfs/dbraw/zinc/56/72/32/664567232.db2.gz PWSOOZIWUMKPNO-LDYMZIIASA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001015711939 664567269 /nfs/dbraw/zinc/56/72/69/664567269.db2.gz VAVPOWGIKPLRJC-TUAOUCFPSA-N 1 1 324.381 -1.843 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001015711939 664567272 /nfs/dbraw/zinc/56/72/72/664567272.db2.gz VAVPOWGIKPLRJC-TUAOUCFPSA-N 1 1 324.381 -1.843 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015763562 664567505 /nfs/dbraw/zinc/56/75/05/664567505.db2.gz AKBFCJDGWQTWFP-ONGXEEELSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015763562 664567507 /nfs/dbraw/zinc/56/75/07/664567507.db2.gz AKBFCJDGWQTWFP-ONGXEEELSA-N 1 1 305.338 -1.052 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1=O ZINC001015787552 664567642 /nfs/dbraw/zinc/56/76/42/664567642.db2.gz YIULFUGOFKALPE-VIFPVBQESA-N 1 1 312.326 -2.020 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788038 664567655 /nfs/dbraw/zinc/56/76/55/664567655.db2.gz AFPMFKCAPWMNQO-IUCAKERBSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788038 664567656 /nfs/dbraw/zinc/56/76/56/664567656.db2.gz AFPMFKCAPWMNQO-IUCAKERBSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015790202 664567681 /nfs/dbraw/zinc/56/76/81/664567681.db2.gz ZBMRUSNLAMLNPO-MNOVXSKESA-N 1 1 320.353 -1.538 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788867 664567697 /nfs/dbraw/zinc/56/76/97/664567697.db2.gz LQOSWKOBMOUZPG-GHMZBOCLSA-N 1 1 324.381 -1.077 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790450 664567927 /nfs/dbraw/zinc/56/79/27/664567927.db2.gz KOIZYERRGITKCU-RKDXNWHRSA-N 1 1 312.326 -2.022 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015773754 664567962 /nfs/dbraw/zinc/56/79/62/664567962.db2.gz NDDCIOMPCWVLNE-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001015773754 664567963 /nfs/dbraw/zinc/56/79/63/664567963.db2.gz NDDCIOMPCWVLNE-ONGXEEELSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001015773280 664567977 /nfs/dbraw/zinc/56/79/77/664567977.db2.gz HGRZWJOVEMNITE-QWRGUYRKSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001015773280 664567980 /nfs/dbraw/zinc/56/79/80/664567980.db2.gz HGRZWJOVEMNITE-QWRGUYRKSA-N 1 1 320.353 -1.291 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788868 664567997 /nfs/dbraw/zinc/56/79/97/664567997.db2.gz LQOSWKOBMOUZPG-MNOVXSKESA-N 1 1 324.381 -1.077 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001015831166 664568317 /nfs/dbraw/zinc/56/83/17/664568317.db2.gz NLIJXKUWUKVEEH-XIRUVYRFSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001015865197 664568830 /nfs/dbraw/zinc/56/88/30/664568830.db2.gz SSXUTDPHYNKLDJ-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015864687 664568943 /nfs/dbraw/zinc/56/89/43/664568943.db2.gz GEXRKKIBJLUTAC-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015864687 664568944 /nfs/dbraw/zinc/56/89/44/664568944.db2.gz GEXRKKIBJLUTAC-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015837103 664569000 /nfs/dbraw/zinc/56/90/00/664569000.db2.gz MJCIAYKHRYSWFQ-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001015837103 664569001 /nfs/dbraw/zinc/56/90/01/664569001.db2.gz MJCIAYKHRYSWFQ-QWRGUYRKSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C1)C1CC(=O)NC(=O)C1 ZINC001015841132 664569012 /nfs/dbraw/zinc/56/90/12/664569012.db2.gz FMVWTSJMCDDZTJ-LLVKDONJSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001015871106 664569214 /nfs/dbraw/zinc/56/92/14/664569214.db2.gz HGLMXQIAVFFBEL-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001015871106 664569217 /nfs/dbraw/zinc/56/92/17/664569217.db2.gz HGLMXQIAVFFBEL-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001015871106 664569219 /nfs/dbraw/zinc/56/92/19/664569219.db2.gz HGLMXQIAVFFBEL-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)c1nnc[nH]1 ZINC001015873361 664569279 /nfs/dbraw/zinc/56/92/79/664569279.db2.gz UVCXRYBIQRMBNK-MNOVXSKESA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1nnc[nH]1 ZINC001015874040 664569293 /nfs/dbraw/zinc/56/92/93/664569293.db2.gz PWLHMOJUITXPLG-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874040 664569295 /nfs/dbraw/zinc/56/92/95/664569295.db2.gz PWLHMOJUITXPLG-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874040 664569296 /nfs/dbraw/zinc/56/92/96/664569296.db2.gz PWLHMOJUITXPLG-GHMZBOCLSA-N 1 1 305.342 -1.134 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015895907 664569474 /nfs/dbraw/zinc/56/94/74/664569474.db2.gz QPCSCYKPXARBRN-DTWKUNHWSA-N 1 1 323.353 -1.197 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015895907 664569476 /nfs/dbraw/zinc/56/94/76/664569476.db2.gz QPCSCYKPXARBRN-DTWKUNHWSA-N 1 1 323.353 -1.197 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1nnc[nH]1 ZINC001015874041 664569498 /nfs/dbraw/zinc/56/94/98/664569498.db2.gz PWLHMOJUITXPLG-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874041 664569499 /nfs/dbraw/zinc/56/94/99/664569499.db2.gz PWLHMOJUITXPLG-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001015874041 664569502 /nfs/dbraw/zinc/56/95/02/664569502.db2.gz PWLHMOJUITXPLG-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cccnn1 ZINC001015887325 664569552 /nfs/dbraw/zinc/56/95/52/664569552.db2.gz VBUPAJVDNRLQQV-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cccnn1 ZINC001015887325 664569553 /nfs/dbraw/zinc/56/95/53/664569553.db2.gz VBUPAJVDNRLQQV-JTQLQIEISA-N 1 1 318.337 -1.168 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)ccc1=O ZINC001015867508 664569568 /nfs/dbraw/zinc/56/95/68/664569568.db2.gz DHGIGZVAZSHGKY-UWVGGRQHSA-N 1 1 307.354 -1.059 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)ccc1=O ZINC001015867508 664569570 /nfs/dbraw/zinc/56/95/70/664569570.db2.gz DHGIGZVAZSHGKY-UWVGGRQHSA-N 1 1 307.354 -1.059 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001015947894 664569786 /nfs/dbraw/zinc/56/97/86/664569786.db2.gz QWWKIWFSPGQBBQ-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910043 664569879 /nfs/dbraw/zinc/56/98/79/664569879.db2.gz KQBPMEJSTPZXAK-RYUDHWBXSA-N 1 1 321.381 -1.076 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1 ZINC001015910043 664569880 /nfs/dbraw/zinc/56/98/80/664569880.db2.gz KQBPMEJSTPZXAK-RYUDHWBXSA-N 1 1 321.381 -1.076 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970106 664569932 /nfs/dbraw/zinc/56/99/32/664569932.db2.gz ISXYTECGIPJXJW-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970106 664569933 /nfs/dbraw/zinc/56/99/33/664569933.db2.gz ISXYTECGIPJXJW-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001015970106 664569934 /nfs/dbraw/zinc/56/99/34/664569934.db2.gz ISXYTECGIPJXJW-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015923741 664570126 /nfs/dbraw/zinc/57/01/26/664570126.db2.gz AZEKZNIUMXHBNK-KOLCDFICSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015923741 664570127 /nfs/dbraw/zinc/57/01/27/664570127.db2.gz AZEKZNIUMXHBNK-KOLCDFICSA-N 1 1 321.337 -1.084 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC001016056199 664570416 /nfs/dbraw/zinc/57/04/16/664570416.db2.gz GDERLKCBRUZSSM-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)n1 ZINC001016056199 664570417 /nfs/dbraw/zinc/57/04/17/664570417.db2.gz GDERLKCBRUZSSM-GFCCVEGCSA-N 1 1 321.381 -1.170 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141215 664571219 /nfs/dbraw/zinc/57/12/19/664571219.db2.gz OECWJKMLCOSREA-GHMZBOCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016141215 664571220 /nfs/dbraw/zinc/57/12/20/664571220.db2.gz OECWJKMLCOSREA-GHMZBOCLSA-N 1 1 324.385 -1.655 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191894 664571358 /nfs/dbraw/zinc/57/13/58/664571358.db2.gz XOWFEKCVVDYVCF-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001016191894 664571360 /nfs/dbraw/zinc/57/13/60/664571360.db2.gz XOWFEKCVVDYVCF-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016192249 664571532 /nfs/dbraw/zinc/57/15/32/664571532.db2.gz HHSZHSSDSMJZHF-UWVGGRQHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001016192249 664571533 /nfs/dbraw/zinc/57/15/33/664571533.db2.gz HHSZHSSDSMJZHF-UWVGGRQHSA-N 1 1 306.326 -1.726 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001016187088 664571593 /nfs/dbraw/zinc/57/15/93/664571593.db2.gz LDUHZTMWQPVQNW-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016182023 664571625 /nfs/dbraw/zinc/57/16/25/664571625.db2.gz MEKUMXUGEWZUDP-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016182023 664571627 /nfs/dbraw/zinc/57/16/27/664571627.db2.gz MEKUMXUGEWZUDP-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016193198 664571689 /nfs/dbraw/zinc/57/16/89/664571689.db2.gz VCEKVMVSMVKYOW-SNVBAGLBSA-N 1 1 321.341 -1.980 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001016200131 664571797 /nfs/dbraw/zinc/57/17/97/664571797.db2.gz RORRDEQLUMTYJF-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001016200131 664571799 /nfs/dbraw/zinc/57/17/99/664571799.db2.gz RORRDEQLUMTYJF-VHSXEESVSA-N 1 1 323.353 -2.041 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199151 664571867 /nfs/dbraw/zinc/57/18/67/664571867.db2.gz HIANRCNBNDSSRE-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199151 664571868 /nfs/dbraw/zinc/57/18/68/664571868.db2.gz HIANRCNBNDSSRE-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200325 664571903 /nfs/dbraw/zinc/57/19/03/664571903.db2.gz UNXLZCXQMACHEK-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200325 664571904 /nfs/dbraw/zinc/57/19/04/664571904.db2.gz UNXLZCXQMACHEK-IUCAKERBSA-N 1 1 311.342 -2.055 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016201922 664571956 /nfs/dbraw/zinc/57/19/56/664571956.db2.gz JKVRQWOUVCMTKU-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016201922 664571957 /nfs/dbraw/zinc/57/19/57/664571957.db2.gz JKVRQWOUVCMTKU-SNVBAGLBSA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016202833 664572005 /nfs/dbraw/zinc/57/20/05/664572005.db2.gz QPECIIJJHRUXHC-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016202833 664572007 /nfs/dbraw/zinc/57/20/07/664572007.db2.gz QPECIIJJHRUXHC-NXEZZACHSA-N 1 1 323.353 -1.993 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208121 664572082 /nfs/dbraw/zinc/57/20/82/664572082.db2.gz KADXDVHGRQAGTC-QWRGUYRKSA-N 1 1 322.365 -1.443 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3C(=O)CCC3=O)C2)C1=O ZINC001016208121 664572084 /nfs/dbraw/zinc/57/20/84/664572084.db2.gz KADXDVHGRQAGTC-QWRGUYRKSA-N 1 1 322.365 -1.443 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200323 664572109 /nfs/dbraw/zinc/57/21/09/664572109.db2.gz UNXLZCXQMACHEK-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016200323 664572111 /nfs/dbraw/zinc/57/21/11/664572111.db2.gz UNXLZCXQMACHEK-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016200134 664572136 /nfs/dbraw/zinc/57/21/36/664572136.db2.gz RSLFTZRVDBGQCE-JTQLQIEISA-N 1 1 321.341 -1.980 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016210234 664572315 /nfs/dbraw/zinc/57/23/15/664572315.db2.gz XBLBDPHGQYXFGQ-LLVKDONJSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016210234 664572317 /nfs/dbraw/zinc/57/23/17/664572317.db2.gz XBLBDPHGQYXFGQ-LLVKDONJSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016217006 664572358 /nfs/dbraw/zinc/57/23/58/664572358.db2.gz NFRKPIROSQBYFU-NEPJUHHUSA-N 1 1 304.350 -1.073 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016217006 664572360 /nfs/dbraw/zinc/57/23/60/664572360.db2.gz NFRKPIROSQBYFU-NEPJUHHUSA-N 1 1 304.350 -1.073 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016209902 664572488 /nfs/dbraw/zinc/57/24/88/664572488.db2.gz VREMFIXFHUFOBD-NXEZZACHSA-N 1 1 308.338 -1.786 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016209902 664572490 /nfs/dbraw/zinc/57/24/90/664572490.db2.gz VREMFIXFHUFOBD-NXEZZACHSA-N 1 1 308.338 -1.786 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209604 664572558 /nfs/dbraw/zinc/57/25/58/664572558.db2.gz UKXZTZMMINWTES-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209604 664572559 /nfs/dbraw/zinc/57/25/59/664572559.db2.gz UKXZTZMMINWTES-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239205 664572765 /nfs/dbraw/zinc/57/27/65/664572765.db2.gz ILHIDBSAAHEUMS-JGVFFNPUSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239205 664572766 /nfs/dbraw/zinc/57/27/66/664572766.db2.gz ILHIDBSAAHEUMS-JGVFFNPUSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255907 664572790 /nfs/dbraw/zinc/57/27/90/664572790.db2.gz OUDJWRHINOSSFB-VHSXEESVSA-N 1 1 317.353 -1.269 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255907 664572791 /nfs/dbraw/zinc/57/27/91/664572791.db2.gz OUDJWRHINOSSFB-VHSXEESVSA-N 1 1 317.353 -1.269 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239487 664572794 /nfs/dbraw/zinc/57/27/94/664572794.db2.gz JQNZNSWHDBMABV-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239487 664572795 /nfs/dbraw/zinc/57/27/95/664572795.db2.gz JQNZNSWHDBMABV-SECBINFHSA-N 1 1 323.353 -1.622 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240698 664572832 /nfs/dbraw/zinc/57/28/32/664572832.db2.gz SZRVXEGKBYMCLU-PSASIEDQSA-N 1 1 323.353 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016240698 664572834 /nfs/dbraw/zinc/57/28/34/664572834.db2.gz SZRVXEGKBYMCLU-PSASIEDQSA-N 1 1 323.353 -1.446 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241137 664572896 /nfs/dbraw/zinc/57/28/96/664572896.db2.gz XTCYKEXLAOVAJA-WPRPVWTQSA-N 1 1 321.337 -1.822 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001016241137 664572897 /nfs/dbraw/zinc/57/28/97/664572897.db2.gz XTCYKEXLAOVAJA-WPRPVWTQSA-N 1 1 321.337 -1.822 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c[nH]1 ZINC001016273147 664573216 /nfs/dbraw/zinc/57/32/16/664573216.db2.gz QPRGXYUWSYIAOS-MWLCHTKSSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c[nH]1 ZINC001016273147 664573218 /nfs/dbraw/zinc/57/32/18/664573218.db2.gz QPRGXYUWSYIAOS-MWLCHTKSSA-N 1 1 305.338 -1.194 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308237 664573560 /nfs/dbraw/zinc/57/35/60/664573560.db2.gz YYNCKMUJMLQUAQ-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3nnn(C)n3)C2)C1 ZINC001016308237 664573562 /nfs/dbraw/zinc/57/35/62/664573562.db2.gz YYNCKMUJMLQUAQ-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352607 664573740 /nfs/dbraw/zinc/57/37/40/664573740.db2.gz CKKQNNYTQFEXJI-NXEZZACHSA-N 1 1 309.370 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352607 664573741 /nfs/dbraw/zinc/57/37/41/664573741.db2.gz CKKQNNYTQFEXJI-NXEZZACHSA-N 1 1 309.370 -1.338 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341123 664573757 /nfs/dbraw/zinc/57/37/57/664573757.db2.gz ILLKOAGRNATSTD-WPRPVWTQSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341123 664573758 /nfs/dbraw/zinc/57/37/58/664573758.db2.gz ILLKOAGRNATSTD-WPRPVWTQSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001016341843 664573789 /nfs/dbraw/zinc/57/37/89/664573789.db2.gz TZXJGNLWIBCOGL-WDEREUQCSA-N 1 1 324.385 -1.449 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341118 664573901 /nfs/dbraw/zinc/57/39/01/664573901.db2.gz ILLKOAGRNATSTD-PSASIEDQSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341118 664573905 /nfs/dbraw/zinc/57/39/05/664573905.db2.gz ILLKOAGRNATSTD-PSASIEDQSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355198 664574518 /nfs/dbraw/zinc/57/45/18/664574518.db2.gz UMNLQKNFTMKZJV-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355198 664574519 /nfs/dbraw/zinc/57/45/19/664574519.db2.gz UMNLQKNFTMKZJV-UWVGGRQHSA-N 1 1 309.370 -1.208 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016430067 664574700 /nfs/dbraw/zinc/57/47/00/664574700.db2.gz KUKIABFDTXBJND-GXSJLCMTSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016430067 664574702 /nfs/dbraw/zinc/57/47/02/664574702.db2.gz KUKIABFDTXBJND-GXSJLCMTSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016436978 664575076 /nfs/dbraw/zinc/57/50/76/664575076.db2.gz MSMRAWBBKLROFD-MNOVXSKESA-N 1 1 320.353 -1.479 20 0 DAADMO CC(=O)N[C@H]1CC12CC[NH+](CC(=O)N1CCNC(=O)C1)CC2 ZINC001016453273 664575156 /nfs/dbraw/zinc/57/51/56/664575156.db2.gz ZCYFLIRIAVREIS-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)c2nnn(C)n2)C1 ZINC001016532340 664575372 /nfs/dbraw/zinc/57/53/72/664575372.db2.gz LORDQTQMIJFZPG-WHXUTIOJSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001016549333 664575915 /nfs/dbraw/zinc/57/59/15/664575915.db2.gz JKQOYZCPRKNHDX-MCIGGMRASA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC(NC(=O)C(N)=O)C1 ZINC001016699757 664576659 /nfs/dbraw/zinc/57/66/59/664576659.db2.gz JFJWLMOKTYONTO-UHFFFAOYSA-N 1 1 323.353 -1.059 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016880173 664578542 /nfs/dbraw/zinc/57/85/42/664578542.db2.gz QYHZWTMVBDNFHZ-WHXUTIOJSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001016867855 664578564 /nfs/dbraw/zinc/57/85/64/664578564.db2.gz KSTMFYFJYUDYOR-ILDUYXDCSA-N 1 1 322.369 -1.146 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001016867855 664578568 /nfs/dbraw/zinc/57/85/68/664578568.db2.gz KSTMFYFJYUDYOR-ILDUYXDCSA-N 1 1 322.369 -1.146 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CC(N)=O)C2)nc1=O ZINC001017082626 664580480 /nfs/dbraw/zinc/58/04/80/664580480.db2.gz UDPBZSBZLPFFJJ-JTQLQIEISA-N 1 1 324.385 -1.346 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001017080067 664580582 /nfs/dbraw/zinc/58/05/82/664580582.db2.gz BRJXGLARBZMNKM-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001017572614 664581654 /nfs/dbraw/zinc/58/16/54/664581654.db2.gz ZUONVKANMAWVIS-PHIMTYICSA-N 1 1 322.369 -1.301 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc(C(N)=O)n1 ZINC001017572614 664581656 /nfs/dbraw/zinc/58/16/56/664581656.db2.gz ZUONVKANMAWVIS-PHIMTYICSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 ZINC001017691736 664582736 /nfs/dbraw/zinc/58/27/36/664582736.db2.gz ZBSCFYGWWRHPOH-MELADBBJSA-N 1 1 324.425 -1.184 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001018068725 664584541 /nfs/dbraw/zinc/58/45/41/664584541.db2.gz HRGHYDQSJYLKFP-MXWKQRLJSA-N 1 1 310.354 -1.406 20 0 DAADMO NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065375 664584619 /nfs/dbraw/zinc/58/46/19/664584619.db2.gz RXDFXHGSSKVWPC-BETUJISGSA-N 1 1 310.398 -1.131 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CNC1=O ZINC001018246203 664585418 /nfs/dbraw/zinc/58/54/18/664585418.db2.gz KLOYDRIQRRHXKV-MXWKQRLJSA-N 1 1 310.354 -1.406 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C1)c1nncn1C ZINC001018480874 664587240 /nfs/dbraw/zinc/58/72/40/664587240.db2.gz FDOWQMXBCLBUPZ-ZJUUUORDSA-N 1 1 305.346 -1.247 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018479495 664587381 /nfs/dbraw/zinc/58/73/81/664587381.db2.gz GOEDINQTWPQWON-VIFPVBQESA-N 1 1 318.345 -1.615 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CS(C)(=O)=O)C2)[nH]1 ZINC001018585532 664588013 /nfs/dbraw/zinc/58/80/13/664588013.db2.gz HFNLKSOPNXVRIU-VIFPVBQESA-N 1 1 301.372 -1.152 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001018624105 664588305 /nfs/dbraw/zinc/58/83/05/664588305.db2.gz HIHHGIBVBWBEFK-KXUCPTDWSA-N 1 1 307.358 -1.260 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018649511 664588492 /nfs/dbraw/zinc/58/84/92/664588492.db2.gz YKWPKRMMKWDKOE-VIFPVBQESA-N 1 1 309.374 -1.006 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001018663475 664588658 /nfs/dbraw/zinc/58/86/58/664588658.db2.gz DYRMRDSSSVNSCA-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018686457 664588661 /nfs/dbraw/zinc/58/86/61/664588661.db2.gz HGDYHTHWEORRKL-VHSXEESVSA-N 1 1 320.353 -1.267 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC001018746038 664589068 /nfs/dbraw/zinc/58/90/68/664589068.db2.gz CIRNHOCMYPFEFV-VIFPVBQESA-N 1 1 306.330 -1.497 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CN=NC3=O)C2)[nH]1 ZINC001018746228 664589217 /nfs/dbraw/zinc/58/92/17/664589217.db2.gz FGMLEJODFIZBJM-VIFPVBQESA-N 1 1 306.330 -1.199 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001018747377 664589272 /nfs/dbraw/zinc/58/92/72/664589272.db2.gz CRZOBYDMHAYJQQ-BDAKNGLRSA-N 1 1 321.345 -1.541 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC001018748088 664589303 /nfs/dbraw/zinc/58/93/03/664589303.db2.gz QTOLVPNYINYVSN-JTQLQIEISA-N 1 1 320.357 -1.014 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001018787744 664589789 /nfs/dbraw/zinc/58/97/89/664589789.db2.gz QBOQJHMMTMAZBT-UWVGGRQHSA-N 1 1 323.357 -1.118 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)C1 ZINC001018770836 664589802 /nfs/dbraw/zinc/58/98/02/664589802.db2.gz MZDUUSORRLXRLG-CABZTGNLSA-N 1 1 321.385 -1.060 20 0 DAADMO Cn1nccc1CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001018777439 664589822 /nfs/dbraw/zinc/58/98/22/664589822.db2.gz MXCQTNWUKIDBDJ-JTQLQIEISA-N 1 1 304.358 -1.123 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018792711 664589831 /nfs/dbraw/zinc/58/98/31/664589831.db2.gz MDOAQSLBSPSNRV-WCBMZHEXSA-N 1 1 321.341 -1.193 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)C2)C1 ZINC001018768900 664589989 /nfs/dbraw/zinc/58/99/89/664589989.db2.gz BKQQVKXREKRDDB-LBPRGKRZSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001018837732 664590546 /nfs/dbraw/zinc/59/05/46/664590546.db2.gz PURRHAIJCGRNBR-WDEREUQCSA-N 1 1 310.358 -1.294 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001018850701 664590709 /nfs/dbraw/zinc/59/07/09/664590709.db2.gz CBOBCZLWHWHOQC-IUCAKERBSA-N 1 1 306.334 -1.852 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018889661 664591280 /nfs/dbraw/zinc/59/12/80/664591280.db2.gz TZADEPJWAONKEZ-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018889661 664591281 /nfs/dbraw/zinc/59/12/81/664591281.db2.gz TZADEPJWAONKEZ-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001018934415 664591495 /nfs/dbraw/zinc/59/14/95/664591495.db2.gz OARQMTHOXBHEMU-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)nn1 ZINC001018934629 664591507 /nfs/dbraw/zinc/59/15/07/664591507.db2.gz VBXJOLWUJLFWKY-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001018934509 664591955 /nfs/dbraw/zinc/59/19/55/664591955.db2.gz QZUMNRLBKQQORW-ZJUUUORDSA-N 1 1 307.358 -1.621 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974206 664592065 /nfs/dbraw/zinc/59/20/65/664592065.db2.gz BYZQZGYAYCRUQU-NSHDSACASA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974887 664592389 /nfs/dbraw/zinc/59/23/89/664592389.db2.gz RIZSCSCLLPCWHJ-NSHDSACASA-N 1 1 322.369 -1.636 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018984292 664592609 /nfs/dbraw/zinc/59/26/09/664592609.db2.gz XXYKBHAMQOJWAI-IUCAKERBSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001018987430 664593028 /nfs/dbraw/zinc/59/30/28/664593028.db2.gz TWLCKPNHIBMEPV-VIFPVBQESA-N 1 1 318.341 -1.692 20 0 DAADMO CC[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CCNC1=O ZINC001018990585 664593043 /nfs/dbraw/zinc/59/30/43/664593043.db2.gz MMNWYDGPIVJMJC-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)CC(N)=O)C3)C1 ZINC001019037955 664593169 /nfs/dbraw/zinc/59/31/69/664593169.db2.gz FWUNEMTYLCIASO-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001019015981 664593333 /nfs/dbraw/zinc/59/33/33/664593333.db2.gz YJPBCNCGLRHJCN-QMMMGPOBSA-N 1 1 304.314 -1.290 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019005974 664593626 /nfs/dbraw/zinc/59/36/26/664593626.db2.gz DCSNLKDHOGXHEX-QMMMGPOBSA-N 1 1 306.330 -1.048 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C2)nn1 ZINC001019063414 664593781 /nfs/dbraw/zinc/59/37/81/664593781.db2.gz RBLCLSSBNAOPFQ-JTQLQIEISA-N 1 1 320.357 -1.899 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001019074407 664593795 /nfs/dbraw/zinc/59/37/95/664593795.db2.gz VEYCQAJNRMPZSK-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001019063292 664593806 /nfs/dbraw/zinc/59/38/06/664593806.db2.gz KXDPGZAJDCWSNV-JTQLQIEISA-N 1 1 321.341 -1.336 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCNC3=O)C2)nn1 ZINC001019086374 664594404 /nfs/dbraw/zinc/59/44/04/664594404.db2.gz ZWBJIUXJQZEJBW-NSHDSACASA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001019086024 664594712 /nfs/dbraw/zinc/59/47/12/664594712.db2.gz HRTBINKFCFVCFT-NSHDSACASA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001019083713 664594737 /nfs/dbraw/zinc/59/47/37/664594737.db2.gz HLEOHZAGULMQEE-NSHDSACASA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001019120222 664594875 /nfs/dbraw/zinc/59/48/75/664594875.db2.gz UADJUZMKDDIALM-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019224450 664595852 /nfs/dbraw/zinc/59/58/52/664595852.db2.gz RPLYJIIUPWNGTI-DTWKUNHWSA-N 1 1 306.326 -1.278 20 0 DAADMO COc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019230023 664596072 /nfs/dbraw/zinc/59/60/72/664596072.db2.gz MEDIEKDCQXSKRL-VIFPVBQESA-N 1 1 320.357 -1.044 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)[nH]1 ZINC001019234196 664596377 /nfs/dbraw/zinc/59/63/77/664596377.db2.gz ASTZWWQJFTXVEK-NSHDSACASA-N 1 1 321.385 -1.765 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001019239116 664596617 /nfs/dbraw/zinc/59/66/17/664596617.db2.gz FQFQZWLQMKBSBQ-IUCAKERBSA-N 1 1 308.346 -2.076 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001019273290 664596965 /nfs/dbraw/zinc/59/69/65/664596965.db2.gz AJHQGMNXHUJMAL-HZMBPMFUSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1nnnn1C ZINC001019258911 664597220 /nfs/dbraw/zinc/59/72/20/664597220.db2.gz YKAGFTUCZRRAJC-SFYZADRCSA-N 1 1 306.334 -1.701 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001019301802 664597421 /nfs/dbraw/zinc/59/74/21/664597421.db2.gz CYZGTZGILWPLIK-IUCAKERBSA-N 1 1 318.341 -1.141 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001019273291 664597607 /nfs/dbraw/zinc/59/76/07/664597607.db2.gz AJHQGMNXHUJMAL-IINYFYTJSA-N 1 1 321.385 -1.183 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019308968 664597983 /nfs/dbraw/zinc/59/79/83/664597983.db2.gz MNIIQDDFVASZMT-UWVGGRQHSA-N 1 1 307.358 -1.330 20 0 DAADMO CN1CC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)=NC1=O ZINC001019330024 664598664 /nfs/dbraw/zinc/59/86/64/664598664.db2.gz KGFYTDCXFGRZMU-DTWKUNHWSA-N 1 1 321.337 -1.265 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001019355524 664599238 /nfs/dbraw/zinc/59/92/38/664599238.db2.gz ZWOVGVIIJYAORS-UHFFFAOYSA-N 1 1 324.381 -1.745 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019444137 664600781 /nfs/dbraw/zinc/60/07/81/664600781.db2.gz JVKTYQYABUODLS-CBAPKCEASA-N 1 1 308.298 -1.642 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC001019444086 664600836 /nfs/dbraw/zinc/60/08/36/664600836.db2.gz HOWCERHLEVVZKS-WPRPVWTQSA-N 1 1 321.341 -1.896 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)n1 ZINC001019527409 664601688 /nfs/dbraw/zinc/60/16/88/664601688.db2.gz ASOSIFMZMOLEQP-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001019508654 664601798 /nfs/dbraw/zinc/60/17/98/664601798.db2.gz QUZNBEUEHNANQZ-BDAKNGLRSA-N 1 1 305.346 -1.096 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019527721 664602101 /nfs/dbraw/zinc/60/21/01/664602101.db2.gz QZNIQENYEQEERH-QMMMGPOBSA-N 1 1 324.366 -1.220 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C2)nn1 ZINC001019527577 664602119 /nfs/dbraw/zinc/60/21/19/664602119.db2.gz KBGOKXSVIVMBPD-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CCn3cnnn3)C2)[nH]1 ZINC001019557750 664602690 /nfs/dbraw/zinc/60/26/90/664602690.db2.gz RMJZJUKAOSCLTB-JTQLQIEISA-N 1 1 305.346 -1.120 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001019552001 664602729 /nfs/dbraw/zinc/60/27/29/664602729.db2.gz MLUWZECQURFXBV-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001019558665 664602848 /nfs/dbraw/zinc/60/28/48/664602848.db2.gz GCIIDNNVQCSRQC-JTQLQIEISA-N 1 1 305.346 -1.418 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001019678824 664603587 /nfs/dbraw/zinc/60/35/87/664603587.db2.gz ZYKLNCSCXPELJN-RYUDHWBXSA-N 1 1 321.385 -1.089 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001019740998 664603949 /nfs/dbraw/zinc/60/39/49/664603949.db2.gz ATGLRKCSQKVIAP-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO COc1c(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)cnn1C ZINC001019712098 664604262 /nfs/dbraw/zinc/60/42/62/664604262.db2.gz WVGNZPLTMUKXBQ-VIFPVBQESA-N 1 1 320.357 -1.044 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)[nH]1 ZINC001019754939 664604403 /nfs/dbraw/zinc/60/44/03/664604403.db2.gz WOJSUQMPSFHQKU-JTQLQIEISA-N 1 1 320.353 -1.047 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C2)nn1 ZINC001019753435 664604498 /nfs/dbraw/zinc/60/44/98/664604498.db2.gz ONHVOVVZMSLTJU-JTQLQIEISA-N 1 1 320.353 -1.345 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001019753933 664604546 /nfs/dbraw/zinc/60/45/46/664604546.db2.gz YEWYUSFOMKUHGK-JTQLQIEISA-N 1 1 320.353 -1.345 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)C1 ZINC001019800595 664604857 /nfs/dbraw/zinc/60/48/57/664604857.db2.gz QOMKCDWPZDISNC-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)C1 ZINC001019800595 664604860 /nfs/dbraw/zinc/60/48/60/664604860.db2.gz QOMKCDWPZDISNC-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001019966551 664607426 /nfs/dbraw/zinc/60/74/26/664607426.db2.gz YREAZDWUWOBKCC-XYPYZODXSA-N 1 1 303.326 -1.106 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001020074276 664608399 /nfs/dbraw/zinc/60/83/99/664608399.db2.gz AOKFJBMBEPPCSK-GUBZILKMSA-N 1 1 308.342 -1.100 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001020107280 664608640 /nfs/dbraw/zinc/60/86/40/664608640.db2.gz RLQTUBKIMQSKEW-GGZOMVNGSA-N 1 1 321.385 -1.014 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001020089143 664608755 /nfs/dbraw/zinc/60/87/55/664608755.db2.gz DKWUAVDNPUPHPI-DCAQKATOSA-N 1 1 309.374 -1.723 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001020087690 664608837 /nfs/dbraw/zinc/60/88/37/664608837.db2.gz ORGSPBDBNUHUFC-ZKCHVHJHSA-N 1 1 307.318 -2.056 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020127121 664609127 /nfs/dbraw/zinc/60/91/27/664609127.db2.gz VEYAGQIDYBIBBV-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1)c1nnnn1C ZINC001020121117 664609177 /nfs/dbraw/zinc/60/91/77/664609177.db2.gz BAHJULWICBDIKT-XSPKLOCKSA-N 1 1 309.330 -1.384 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1)c1nnnn1C ZINC001020126158 664609276 /nfs/dbraw/zinc/60/92/76/664609276.db2.gz DEPHYPMZUMISQK-CIUDSAMLSA-N 1 1 305.346 -1.050 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)n1 ZINC001020121704 664609331 /nfs/dbraw/zinc/60/93/31/664609331.db2.gz SYUXVSWEMYVXBY-IWSPIJDZSA-N 1 1 324.341 -1.019 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)n[nH]1 ZINC001020140033 664609581 /nfs/dbraw/zinc/60/95/81/664609581.db2.gz VJSLUWACTBRQMQ-GUBZILKMSA-N 1 1 320.353 -1.302 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001020156448 664609676 /nfs/dbraw/zinc/60/96/76/664609676.db2.gz MGKAJBHLYPPXRY-KYZUINATSA-N 1 1 322.329 -1.361 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)n[nH]1 ZINC001020139852 664609733 /nfs/dbraw/zinc/60/97/33/664609733.db2.gz ORODZSHNWHGCRW-XYPYZODXSA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1)c1nnnn1C ZINC001020158060 664610156 /nfs/dbraw/zinc/61/01/56/664610156.db2.gz LRBGUMUVVNBMHZ-CIUDSAMLSA-N 1 1 306.334 -1.805 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001020242103 664610808 /nfs/dbraw/zinc/61/08/08/664610808.db2.gz HVGVJWDKWNCFMW-MGCOHNPYSA-N 1 1 323.357 -2.194 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001020242064 664610916 /nfs/dbraw/zinc/61/09/16/664610916.db2.gz GGFPKBQJXGCZHK-XYPYZODXSA-N 1 1 323.353 -1.026 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020253176 664611005 /nfs/dbraw/zinc/61/10/05/664611005.db2.gz KBBKTBXFJRFWFC-GMOBBJLQSA-N 1 1 310.358 -1.249 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001020271180 664611354 /nfs/dbraw/zinc/61/13/54/664611354.db2.gz IDOYDHQTZDVFJG-DCAQKATOSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001020272604 664611407 /nfs/dbraw/zinc/61/14/07/664611407.db2.gz SKPZDHIZUYSRRC-TUAOUCFPSA-N 1 1 321.385 -1.270 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001020288716 664611412 /nfs/dbraw/zinc/61/14/12/664611412.db2.gz HVWGKLCJHIBXGA-BHDSKKPTSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)O1 ZINC001020287885 664611479 /nfs/dbraw/zinc/61/14/79/664611479.db2.gz PWOXEEDGXQCXDJ-DDHJBXDOSA-N 1 1 323.401 -1.334 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NCc3nnn(C)n3)C2)O1 ZINC001020287885 664611482 /nfs/dbraw/zinc/61/14/82/664611482.db2.gz PWOXEEDGXQCXDJ-DDHJBXDOSA-N 1 1 323.401 -1.334 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)N1CCNC(=O)C1 ZINC001020342588 664611698 /nfs/dbraw/zinc/61/16/98/664611698.db2.gz KAAZJSWGKYRFAC-KYZUINATSA-N 1 1 321.341 -2.387 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020359476 664611858 /nfs/dbraw/zinc/61/18/58/664611858.db2.gz ZOGNIFUQNOAFGE-KYZUINATSA-N 1 1 320.309 -1.231 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001020343573 664611887 /nfs/dbraw/zinc/61/18/87/664611887.db2.gz WNLXWALAZBUBGC-ZKCHVHJHSA-N 1 1 307.314 -1.793 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000021042836 664612295 /nfs/dbraw/zinc/61/22/95/664612295.db2.gz RATXFXVJTMFDEO-UHFFFAOYSA-N 1 1 312.399 -1.251 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)O1 ZINC001038396110 664612894 /nfs/dbraw/zinc/61/28/94/664612894.db2.gz NETAUVZOPJNGSE-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2Cc2nnnn2C)O1 ZINC001038396110 664612897 /nfs/dbraw/zinc/61/28/97/664612897.db2.gz NETAUVZOPJNGSE-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO COCCn1nc(C(=O)NC[C@H]2CC[N@@H+]2CCO)ccc1=O ZINC001038486482 664613618 /nfs/dbraw/zinc/61/36/18/664613618.db2.gz VELWAFMUGHBSJQ-LLVKDONJSA-N 1 1 310.354 -1.314 20 0 DAADMO COCCn1nc(C(=O)NC[C@H]2CC[N@H+]2CCO)ccc1=O ZINC001038486482 664613623 /nfs/dbraw/zinc/61/36/23/664613623.db2.gz VELWAFMUGHBSJQ-LLVKDONJSA-N 1 1 310.354 -1.314 20 0 DAADMO NC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533849 664614003 /nfs/dbraw/zinc/61/40/03/664614003.db2.gz CMBUZYXLXZUITJ-HFXYEQLZSA-N 1 1 308.382 -1.475 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2CCCO)nn1-c1nc[nH]n1 ZINC001038561489 664614532 /nfs/dbraw/zinc/61/45/32/664614532.db2.gz XLDUUQQUULTSMU-SNVBAGLBSA-N 1 1 320.357 -1.120 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@H+]2CCCO)nn1-c1nc[nH]n1 ZINC001038561489 664614535 /nfs/dbraw/zinc/61/45/35/664614535.db2.gz XLDUUQQUULTSMU-SNVBAGLBSA-N 1 1 320.357 -1.120 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](C)O)nn1-c1nc[nH]n1 ZINC001038575775 664614816 /nfs/dbraw/zinc/61/48/16/664614816.db2.gz NNFZEOPBDIGKOQ-WPRPVWTQSA-N 1 1 320.357 -1.121 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](C)O)nn1-c1nc[nH]n1 ZINC001038575775 664614822 /nfs/dbraw/zinc/61/48/22/664614822.db2.gz NNFZEOPBDIGKOQ-WPRPVWTQSA-N 1 1 320.357 -1.121 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H]2CNC(=O)c2nnn(C)n2)cn1 ZINC001038599512 664615139 /nfs/dbraw/zinc/61/51/39/664615139.db2.gz ACXQTPVIVZXMCO-LLVKDONJSA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H]2CNC(=O)c2nnn(C)n2)cn1 ZINC001038599512 664615141 /nfs/dbraw/zinc/61/51/41/664615141.db2.gz ACXQTPVIVZXMCO-LLVKDONJSA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1=O ZINC001038653382 664615361 /nfs/dbraw/zinc/61/53/61/664615361.db2.gz WQFBNSRHICHILO-NWDGAFQWSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cc1=O ZINC001038653382 664615363 /nfs/dbraw/zinc/61/53/63/664615363.db2.gz WQFBNSRHICHILO-NWDGAFQWSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038651301 664615436 /nfs/dbraw/zinc/61/54/36/664615436.db2.gz ORQBHRVYTJCSOC-VXGBXAGGSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CNC(=O)N1 ZINC001038649598 664615504 /nfs/dbraw/zinc/61/55/04/664615504.db2.gz ICLXJAOMFWPETL-BDAKNGLRSA-N 1 1 324.341 -2.590 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CNC(=O)N1 ZINC001038649598 664615508 /nfs/dbraw/zinc/61/55/08/664615508.db2.gz ICLXJAOMFWPETL-BDAKNGLRSA-N 1 1 324.341 -2.590 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001038651298 664615524 /nfs/dbraw/zinc/61/55/24/664615524.db2.gz ORQBHRVYTJCSOC-NWDGAFQWSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038651297 664615643 /nfs/dbraw/zinc/61/56/43/664615643.db2.gz ORQBHRVYTJCSOC-NEPJUHHUSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001038653623 664615837 /nfs/dbraw/zinc/61/58/37/664615837.db2.gz YJJNTZPSTRGZSL-NXEZZACHSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001038653623 664615841 /nfs/dbraw/zinc/61/58/41/664615841.db2.gz YJJNTZPSTRGZSL-NXEZZACHSA-N 1 1 310.358 -2.117 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCCO)C1CC2(C1)NC(=O)NC2=O ZINC001038800658 664616946 /nfs/dbraw/zinc/61/69/46/664616946.db2.gz JWIXBZWYBPRFSE-OPASDULOSA-N 1 1 310.354 -1.453 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038770761 664616953 /nfs/dbraw/zinc/61/69/53/664616953.db2.gz VYOJMQGYGIMILQ-NXEZZACHSA-N 1 1 310.354 -1.731 20 0 DAADMO COCC[N@H+]1CC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001038801169 664617182 /nfs/dbraw/zinc/61/71/82/664617182.db2.gz KXKZPHXSHZEYLN-OPASDULOSA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038770764 664617226 /nfs/dbraw/zinc/61/72/26/664617226.db2.gz VYOJMQGYGIMILQ-VHSXEESVSA-N 1 1 310.354 -1.731 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)C1CC(=O)NC(=O)C1 ZINC001038817421 664617480 /nfs/dbraw/zinc/61/74/80/664617480.db2.gz LQFGRFFNCQPDLL-LLVKDONJSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)C1CC(=O)NC(=O)C1 ZINC001038817421 664617481 /nfs/dbraw/zinc/61/74/81/664617481.db2.gz LQFGRFFNCQPDLL-LLVKDONJSA-N 1 1 320.353 -1.479 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330605 664619172 /nfs/dbraw/zinc/61/91/72/664619172.db2.gz DERZFDJKUNGSTE-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039330605 664619173 /nfs/dbraw/zinc/61/91/73/664619173.db2.gz DERZFDJKUNGSTE-TUAOUCFPSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374404 664619464 /nfs/dbraw/zinc/61/94/64/664619464.db2.gz ULOFYCWEZTWOHM-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001039374404 664619465 /nfs/dbraw/zinc/61/94/65/664619465.db2.gz ULOFYCWEZTWOHM-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001083325909 677689782 /nfs/dbraw/zinc/68/97/82/677689782.db2.gz GHKQDWQLNJMATQ-OLZOCXBDSA-N 1 1 318.337 -1.613 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001083325909 677689783 /nfs/dbraw/zinc/68/97/83/677689783.db2.gz GHKQDWQLNJMATQ-OLZOCXBDSA-N 1 1 318.337 -1.613 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001058947980 677689815 /nfs/dbraw/zinc/68/98/15/677689815.db2.gz FPLGFRKIMYKEAY-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472484 677724257 /nfs/dbraw/zinc/72/42/57/677724257.db2.gz ADLAHFBNILIZKH-SYQHCUMBSA-N 1 1 324.425 -1.280 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001083472681 677724363 /nfs/dbraw/zinc/72/43/63/677724363.db2.gz LEWFDTZMBVSUCC-LPWJVIDDSA-N 1 1 312.414 -1.424 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487335 677726045 /nfs/dbraw/zinc/72/60/45/677726045.db2.gz QLBPAXBMBUIHML-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001083487335 677726048 /nfs/dbraw/zinc/72/60/48/677726048.db2.gz QLBPAXBMBUIHML-NEPJUHHUSA-N 1 1 302.396 -1.008 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001076935539 677770806 /nfs/dbraw/zinc/77/08/06/677770806.db2.gz BVQILMSLXDHYHD-JHJVBQTASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001076935539 677770808 /nfs/dbraw/zinc/77/08/08/677770808.db2.gz BVQILMSLXDHYHD-JHJVBQTASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076933166 677770887 /nfs/dbraw/zinc/77/08/87/677770887.db2.gz ODBATALBEDVDJI-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076933166 677770888 /nfs/dbraw/zinc/77/08/88/677770888.db2.gz ODBATALBEDVDJI-CHWSQXEVSA-N 1 1 319.369 -1.584 20 0 DAADMO O=C(CN1CCN(C2CC2)C1=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179738 677822580 /nfs/dbraw/zinc/82/25/80/677822580.db2.gz QXJRIVZNVAHMBE-AWEZNQCLSA-N 1 1 312.370 -1.647 20 0 DAADMO CN1C(=O)CS/C1=C\C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179453 677822590 /nfs/dbraw/zinc/82/25/90/677822590.db2.gz QERQGLJSJMKUQY-MCWZUMHDSA-N 1 1 301.368 -1.500 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCC12OCCO2 ZINC000913181679 677822615 /nfs/dbraw/zinc/82/26/15/677822615.db2.gz OSTRYBYGAYYIEG-AAEUAGOBSA-N 1 1 300.355 -1.003 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCC12OCCO2 ZINC000913181682 677822619 /nfs/dbraw/zinc/82/26/19/677822619.db2.gz OSTRYBYGAYYIEG-YPMHNXCESA-N 1 1 300.355 -1.003 20 0 DAADMO Cn1ncc2c1C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC000913182202 677822642 /nfs/dbraw/zinc/82/26/42/677822642.db2.gz VOALXTXLDMERAV-IAQYHMDHSA-N 1 1 308.382 -1.008 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCN1c1ncccn1 ZINC000913178533 677822686 /nfs/dbraw/zinc/82/26/86/677822686.db2.gz HQDXKSFCMJQHRO-DOMZBBRYSA-N 1 1 321.381 -1.088 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077255927 677793612 /nfs/dbraw/zinc/79/36/12/677793612.db2.gz UIXZYFCVSSWMHS-UFGOTCBOSA-N 1 1 312.370 -1.278 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001077257065 677793945 /nfs/dbraw/zinc/79/39/45/677793945.db2.gz SKWCHKUBBJSZDO-OPRDCNLKSA-N 1 1 311.342 -2.300 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030028725 677823155 /nfs/dbraw/zinc/82/31/55/677823155.db2.gz CHTYCNSRBAYWDC-VWYCJHECSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001030028725 677823156 /nfs/dbraw/zinc/82/31/56/677823156.db2.gz CHTYCNSRBAYWDC-VWYCJHECSA-N 1 1 322.365 -1.349 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573576 677800594 /nfs/dbraw/zinc/80/05/94/677800594.db2.gz NQFGXZVGGNQVQZ-RDBSUJKOSA-N 1 1 322.413 -1.039 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2sccn2c1=O ZINC001077335522 677800618 /nfs/dbraw/zinc/80/06/18/677800618.db2.gz VHECMJIVPTXOCF-NXEZZACHSA-N 1 1 324.362 -1.477 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC001083573293 677800899 /nfs/dbraw/zinc/80/08/99/677800899.db2.gz DXZYHBDRGUEBFU-MCIONIFRSA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000912055136 677816497 /nfs/dbraw/zinc/81/64/97/677816497.db2.gz YTBZSHOUILUXLO-UHFFFAOYSA-N 1 1 321.429 -1.043 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cnc21 ZINC001083649969 677816752 /nfs/dbraw/zinc/81/67/52/677816752.db2.gz ZANCARNSBJZLJU-MNOVXSKESA-N 1 1 306.326 -1.870 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC001083649969 677816756 /nfs/dbraw/zinc/81/67/56/677816756.db2.gz ZANCARNSBJZLJU-MNOVXSKESA-N 1 1 306.326 -1.870 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083654150 677817997 /nfs/dbraw/zinc/81/79/97/677817997.db2.gz YRBFLKGBKYBFRB-UMNHJUIQSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030024808 677818262 /nfs/dbraw/zinc/81/82/62/677818262.db2.gz STSNTYCSXUKXRG-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030024808 677818266 /nfs/dbraw/zinc/81/82/66/677818266.db2.gz STSNTYCSXUKXRG-KXUCPTDWSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@@H]1CN(CCF)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654862 677818533 /nfs/dbraw/zinc/81/85/33/677818533.db2.gz JPZBAGVGOAJUFQ-DPWYMPPLSA-N 1 1 313.373 -1.020 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030024809 677818580 /nfs/dbraw/zinc/81/85/80/677818580.db2.gz STSNTYCSXUKXRG-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030024809 677818583 /nfs/dbraw/zinc/81/85/83/677818583.db2.gz STSNTYCSXUKXRG-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024785 677818615 /nfs/dbraw/zinc/81/86/15/677818615.db2.gz ISEPBFZIIOFTED-YIZRAAEISA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024785 677818616 /nfs/dbraw/zinc/81/86/16/677818616.db2.gz ISEPBFZIIOFTED-YIZRAAEISA-N 1 1 311.342 -1.961 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2nccnn2)CC1 ZINC000912975773 677820697 /nfs/dbraw/zinc/82/06/97/677820697.db2.gz BUHOFHZGUVOWQA-FZMZJTMJSA-N 1 1 306.370 -1.025 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001077820625 677885128 /nfs/dbraw/zinc/88/51/28/677885128.db2.gz CLDPIHLOIIJMEJ-GMTAPVOTSA-N 1 1 305.400 -1.410 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CC(=O)NC ZINC001058255235 677940291 /nfs/dbraw/zinc/94/02/91/677940291.db2.gz HXDAWIJPCGIZTG-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058377170 677940815 /nfs/dbraw/zinc/94/08/15/677940815.db2.gz RILBEHKQVSMVFU-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058377170 677940816 /nfs/dbraw/zinc/94/08/16/677940816.db2.gz RILBEHKQVSMVFU-SNVBAGLBSA-N 1 1 310.358 -1.550 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CC(N)=O ZINC001061740578 677963139 /nfs/dbraw/zinc/96/31/39/677963139.db2.gz DCCFXOUFRIDBOO-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193104 677918143 /nfs/dbraw/zinc/91/81/43/677918143.db2.gz CMASFLFRCAAFMG-IVZWLZJFSA-N 1 1 307.372 -2.778 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193468 677918156 /nfs/dbraw/zinc/91/81/56/677918156.db2.gz RSLNBHLEUICNBW-IJLUTSLNSA-N 1 1 319.427 -1.115 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC001063306138 677987035 /nfs/dbraw/zinc/98/70/35/677987035.db2.gz ULPNCAAMJPNNJC-WDEREUQCSA-N 1 1 324.381 -1.510 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774048 678026520 /nfs/dbraw/zinc/02/65/20/678026520.db2.gz MRHDXVVJEJVCEH-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1nccn1 ZINC001079774048 678026522 /nfs/dbraw/zinc/02/65/22/678026522.db2.gz MRHDXVVJEJVCEH-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061213 678030690 /nfs/dbraw/zinc/03/06/90/678030690.db2.gz JOGNCEUZIKHIIS-OPRDCNLKSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001080061213 678030693 /nfs/dbraw/zinc/03/06/93/678030693.db2.gz JOGNCEUZIKHIIS-OPRDCNLKSA-N 1 1 323.353 -1.741 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C1=COCCO1 ZINC001081319829 678063207 /nfs/dbraw/zinc/06/32/07/678063207.db2.gz DJABMUXICNHKSW-VXGBXAGGSA-N 1 1 323.353 -1.018 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C1=COCCO1 ZINC001081319829 678063209 /nfs/dbraw/zinc/06/32/09/678063209.db2.gz DJABMUXICNHKSW-VXGBXAGGSA-N 1 1 323.353 -1.018 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081500382 678080539 /nfs/dbraw/zinc/08/05/39/678080539.db2.gz UEVHUULMFLZIFG-ZYHUDNBSSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081500379 678080555 /nfs/dbraw/zinc/08/05/55/678080555.db2.gz UEVHUULMFLZIFG-CMPLNLGQSA-N 1 1 322.369 -1.550 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081554222 678083512 /nfs/dbraw/zinc/08/35/12/678083512.db2.gz SWGGBTLIDQCOKZ-QWRGUYRKSA-N 1 1 324.385 -1.306 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135313 678111365 /nfs/dbraw/zinc/11/13/65/678111365.db2.gz YEDJWBKLYVFILM-YNEHKIRRSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082659600 678118363 /nfs/dbraw/zinc/11/83/63/678118363.db2.gz SYOKGLCOGABFIA-GPCCPHFNSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065318066 678127451 /nfs/dbraw/zinc/12/74/51/678127451.db2.gz NCQBUXWAFGSJKL-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001065574185 678133955 /nfs/dbraw/zinc/13/39/55/678133955.db2.gz CHKWYAISQNQYAZ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(O)(CNC(=O)C(F)F)C1 ZINC001041063367 678145809 /nfs/dbraw/zinc/14/58/09/678145809.db2.gz HKVXHFBPLWZIIR-UHFFFAOYSA-N 1 1 321.324 -1.337 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072741086 678162809 /nfs/dbraw/zinc/16/28/09/678162809.db2.gz WYLAXXLPXPTLKC-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072740617 678163088 /nfs/dbraw/zinc/16/30/88/678163088.db2.gz CSEXFLABBXQKTN-JTQLQIEISA-N 1 1 305.342 -1.904 20 0 DAADMO COCCn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)nn1 ZINC001072721504 678163109 /nfs/dbraw/zinc/16/31/09/678163109.db2.gz URFMEQIIVFKQRK-UHFFFAOYSA-N 1 1 322.369 -1.442 20 0 DAADMO COCCn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)nn1 ZINC001072721504 678163110 /nfs/dbraw/zinc/16/31/10/678163110.db2.gz URFMEQIIVFKQRK-UHFFFAOYSA-N 1 1 322.369 -1.442 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001074563529 678197417 /nfs/dbraw/zinc/19/74/17/678197417.db2.gz MJRFLNOVKDIZLD-LPEHRKFASA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001074964636 678206908 /nfs/dbraw/zinc/20/69/08/678206908.db2.gz IEZMWAGYFNVUBU-AXFHLTTASA-N 1 1 321.385 -1.042 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001074964637 678207189 /nfs/dbraw/zinc/20/71/89/678207189.db2.gz IEZMWAGYFNVUBU-DCAQKATOSA-N 1 1 321.385 -1.042 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001075247889 678210354 /nfs/dbraw/zinc/21/03/54/678210354.db2.gz WHLUPIPSDZRCRL-VHSXEESVSA-N 1 1 309.374 -1.340 20 0 DAADMO O=C(c1n[nH]cc1F)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083185648 677680847 /nfs/dbraw/zinc/68/08/47/677680847.db2.gz DKVSNFGCKITGFX-OUAUKWLOSA-N 1 1 323.328 -1.038 20 0 DAADMO O=C(c1n[nH]cc1F)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083185648 677680848 /nfs/dbraw/zinc/68/08/48/677680848.db2.gz DKVSNFGCKITGFX-OUAUKWLOSA-N 1 1 323.328 -1.038 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cnon2)C1 ZINC001058515372 677681110 /nfs/dbraw/zinc/68/11/10/677681110.db2.gz AATYOELMZAUNGI-JTQLQIEISA-N 1 1 311.342 -1.428 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1cnon1 ZINC001058515426 677681143 /nfs/dbraw/zinc/68/11/43/677681143.db2.gz CQJVRNQRSGAYCU-UHFFFAOYSA-N 1 1 313.358 -1.040 20 0 DAADMO O=C([C@H]1CCCCC(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083190168 677681186 /nfs/dbraw/zinc/68/11/86/677681186.db2.gz BKDIVSBAGDFAPX-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C([C@H]1CCCCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083190168 677681187 /nfs/dbraw/zinc/68/11/87/677681187.db2.gz BKDIVSBAGDFAPX-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO NC(=O)c1coc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)c1 ZINC001083189959 677681197 /nfs/dbraw/zinc/68/11/97/677681197.db2.gz RCCIWVOQJYQFII-CMPLNLGQSA-N 1 1 309.322 -1.104 20 0 DAADMO NC(=O)c1coc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)c1 ZINC001083189959 677681198 /nfs/dbraw/zinc/68/11/98/677681198.db2.gz RCCIWVOQJYQFII-CMPLNLGQSA-N 1 1 309.322 -1.104 20 0 DAADMO C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC000969597419 677681252 /nfs/dbraw/zinc/68/12/52/677681252.db2.gz ZNXYMXYWPHEKHV-LDYMZIIASA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cccnn2)C1 ZINC001058529399 677681551 /nfs/dbraw/zinc/68/15/51/677681551.db2.gz FROKQQANHSLIKK-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083193153 677681577 /nfs/dbraw/zinc/68/15/77/677681577.db2.gz CQGHGCIIWDNCNA-RWMBFGLXSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](CCN3C(=O)CCC3=O)C2)C1 ZINC001041628738 677681764 /nfs/dbraw/zinc/68/17/64/677681764.db2.gz LUDYTUNCCFSJGC-HNNXBMFYSA-N 1 1 322.365 -1.455 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083208973 677682179 /nfs/dbraw/zinc/68/21/79/677682179.db2.gz KQNNQPCUCBLXOX-LPEHRKFASA-N 1 1 312.326 -2.512 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083208973 677682180 /nfs/dbraw/zinc/68/21/80/677682180.db2.gz KQNNQPCUCBLXOX-LPEHRKFASA-N 1 1 312.326 -2.512 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083218532 677682411 /nfs/dbraw/zinc/68/24/11/677682411.db2.gz XUFMCISKIBHZKY-NWDGAFQWSA-N 1 1 324.385 -1.300 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083218532 677682412 /nfs/dbraw/zinc/68/24/12/677682412.db2.gz XUFMCISKIBHZKY-NWDGAFQWSA-N 1 1 324.385 -1.300 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971544707 677682581 /nfs/dbraw/zinc/68/25/81/677682581.db2.gz DUILCFFNELVEJW-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)CN3CC(=O)NC3=O)[C@H]2C1 ZINC001083225292 677682800 /nfs/dbraw/zinc/68/28/00/677682800.db2.gz PPIWEDBRIGONFI-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH]c(=O)c3=O)[C@H]2C1 ZINC001083225266 677682812 /nfs/dbraw/zinc/68/28/12/677682812.db2.gz OSBWFXDKKRZEPC-NWDGAFQWSA-N 1 1 322.365 -1.142 20 0 DAADMO O=C(c1ncn[n-]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083226990 677682885 /nfs/dbraw/zinc/68/28/85/677682885.db2.gz GQIMOZZJGWBEBO-GARJFASQSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(c1cccnn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083231379 677682949 /nfs/dbraw/zinc/68/29/49/677682949.db2.gz XAYKPADVBLQAJD-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cccnn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083231379 677682950 /nfs/dbraw/zinc/68/29/50/677682950.db2.gz XAYKPADVBLQAJD-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001083232456 677682959 /nfs/dbraw/zinc/68/29/59/677682959.db2.gz BBYLSTZFBYJARG-NWDGAFQWSA-N 1 1 310.358 -1.379 20 0 DAADMO O=C(CCn1cnnn1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083232795 677682977 /nfs/dbraw/zinc/68/29/77/677682977.db2.gz SVONFCXNXVVVIY-NWDGAFQWSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083243934 677683225 /nfs/dbraw/zinc/68/32/25/677683225.db2.gz AYLLHEVJROULRN-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083243934 677683226 /nfs/dbraw/zinc/68/32/26/677683226.db2.gz AYLLHEVJROULRN-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CC(=O)N(C)C3=O)[C@H]2C1 ZINC001083246757 677683300 /nfs/dbraw/zinc/68/33/00/677683300.db2.gz IUPRIBXTUMPBCL-WDEREUQCSA-N 1 1 310.354 -1.188 20 0 DAADMO O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083247548 677683356 /nfs/dbraw/zinc/68/33/56/677683356.db2.gz VFANWMKOODEIRZ-LEWSCRJBSA-N 1 1 321.381 -1.187 20 0 DAADMO O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083247548 677683357 /nfs/dbraw/zinc/68/33/57/677683357.db2.gz VFANWMKOODEIRZ-LEWSCRJBSA-N 1 1 321.381 -1.187 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)C1 ZINC001083248074 677683387 /nfs/dbraw/zinc/68/33/87/677683387.db2.gz QNTTZCMMWWLPTP-RWMBFGLXSA-N 1 1 310.398 -1.275 20 0 DAADMO COC[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042035418 677683406 /nfs/dbraw/zinc/68/34/06/677683406.db2.gz MXYRAKHQAOSFSW-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO COC[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042035414 677683444 /nfs/dbraw/zinc/68/34/44/677683444.db2.gz MXYRAKHQAOSFSW-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO COC[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042035409 677683467 /nfs/dbraw/zinc/68/34/67/677683467.db2.gz MXYRAKHQAOSFSW-NEPJUHHUSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083260555 677683529 /nfs/dbraw/zinc/68/35/29/677683529.db2.gz HOUQOWYORGTGKN-MELADBBJSA-N 1 1 311.382 -1.241 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083260555 677683530 /nfs/dbraw/zinc/68/35/30/677683530.db2.gz HOUQOWYORGTGKN-MELADBBJSA-N 1 1 311.382 -1.241 20 0 DAADMO NC(=O)CN1C[C@H]2OCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@H]2C1 ZINC001083260221 677683544 /nfs/dbraw/zinc/68/35/44/677683544.db2.gz QBSVXNULBOSGOT-ZENOOKHLSA-N 1 1 322.409 -1.131 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083262060 677683579 /nfs/dbraw/zinc/68/35/79/677683579.db2.gz ZUFXDLBCCPRTKS-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1C(=O)CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083262060 677683580 /nfs/dbraw/zinc/68/35/80/677683580.db2.gz ZUFXDLBCCPRTKS-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1)N1CCNC(=O)C1 ZINC001075473023 677683640 /nfs/dbraw/zinc/68/36/40/677683640.db2.gz GIXCKAPSNBQJEA-QWHCGFSZSA-N 1 1 320.393 -1.113 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1)N1CCNC(=O)C1 ZINC001075473023 677683641 /nfs/dbraw/zinc/68/36/41/677683641.db2.gz GIXCKAPSNBQJEA-QWHCGFSZSA-N 1 1 320.393 -1.113 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268761 677684038 /nfs/dbraw/zinc/68/40/38/677684038.db2.gz RZVKHPKTFSUTJO-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CN(C)C3=O)[C@H]2C1 ZINC001083268448 677684064 /nfs/dbraw/zinc/68/40/64/677684064.db2.gz CBBPDCWCCPVSQN-WDEREUQCSA-N 1 1 310.354 -1.188 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083276267 677684513 /nfs/dbraw/zinc/68/45/13/677684513.db2.gz VHIRJUHDTNQFHH-NWDGAFQWSA-N 1 1 307.354 -1.412 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278105 677684539 /nfs/dbraw/zinc/68/45/39/677684539.db2.gz IGDRAANPZQOJFY-OUAUKWLOSA-N 1 1 303.384 -1.390 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058639070 677685167 /nfs/dbraw/zinc/68/51/67/677685167.db2.gz UBRHITIWBNPIBC-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643666 677685631 /nfs/dbraw/zinc/68/56/31/677685631.db2.gz ZJKLLLNHJXHSNS-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058644810 677685821 /nfs/dbraw/zinc/68/58/21/677685821.db2.gz JYOJVUSQMBMVMA-NSHDSACASA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058646721 677685960 /nfs/dbraw/zinc/68/59/60/677685960.db2.gz VYAYTYBANPEVSO-NXEZZACHSA-N 1 1 300.359 -2.394 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CC(N)=O)nn3)[C@H]2C1 ZINC001083284386 677686213 /nfs/dbraw/zinc/68/62/13/677686213.db2.gz MHHPNYFCQANNOV-NWDGAFQWSA-N 1 1 322.369 -1.303 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531666 677686292 /nfs/dbraw/zinc/68/62/92/677686292.db2.gz WSXJJNHYEPQNEH-WDEREUQCSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531666 677686293 /nfs/dbraw/zinc/68/62/93/677686293.db2.gz WSXJJNHYEPQNEH-WDEREUQCSA-N 1 1 307.358 -1.706 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075533042 677686354 /nfs/dbraw/zinc/68/63/54/677686354.db2.gz ZTFUCPXWUCGGHT-NWDGAFQWSA-N 1 1 317.357 -1.503 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CCC1=O ZINC001083285664 677686442 /nfs/dbraw/zinc/68/64/42/677686442.db2.gz ZMCRXFWADJAQIF-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CCC1=O ZINC001083285664 677686443 /nfs/dbraw/zinc/68/64/43/677686443.db2.gz ZMCRXFWADJAQIF-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n3C)[C@H]2C1 ZINC001083286221 677686476 /nfs/dbraw/zinc/68/64/76/677686476.db2.gz YGVRTXMLHPXBME-WCQYABFASA-N 1 1 324.381 -1.105 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n3C)[C@H]2C1 ZINC001083286106 677686524 /nfs/dbraw/zinc/68/65/24/677686524.db2.gz SSKWPBXJRNKPGH-NTZNESFSSA-N 1 1 324.381 -1.370 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)n(C)c1=O ZINC001083285909 677686529 /nfs/dbraw/zinc/68/65/29/677686529.db2.gz KFGOQYWLIQKIAE-WCQYABFASA-N 1 1 324.381 -1.369 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083293853 677686854 /nfs/dbraw/zinc/68/68/54/677686854.db2.gz BGSIRBROEIYBEU-GARJFASQSA-N 1 1 311.338 -2.057 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083293853 677686855 /nfs/dbraw/zinc/68/68/55/677686855.db2.gz BGSIRBROEIYBEU-GARJFASQSA-N 1 1 311.338 -2.057 20 0 DAADMO Cn1cc(CCC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)nn1 ZINC001083293020 677686907 /nfs/dbraw/zinc/68/69/07/677686907.db2.gz JHZPDKQYPKAZSK-QWHCGFSZSA-N 1 1 309.370 -1.348 20 0 DAADMO Cn1cc(CCC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)nn1 ZINC001083293020 677686908 /nfs/dbraw/zinc/68/69/08/677686908.db2.gz JHZPDKQYPKAZSK-QWHCGFSZSA-N 1 1 309.370 -1.348 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042294115 677686946 /nfs/dbraw/zinc/68/69/46/677686946.db2.gz ABOCYNHDVWBZKO-JTQLQIEISA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042294115 677686947 /nfs/dbraw/zinc/68/69/47/677686947.db2.gz ABOCYNHDVWBZKO-JTQLQIEISA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042294117 677686995 /nfs/dbraw/zinc/68/69/95/677686995.db2.gz ABOCYNHDVWBZKO-SNVBAGLBSA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042294117 677686996 /nfs/dbraw/zinc/68/69/96/677686996.db2.gz ABOCYNHDVWBZKO-SNVBAGLBSA-N 1 1 317.411 -1.631 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O ZINC001083297778 677687191 /nfs/dbraw/zinc/68/71/91/677687191.db2.gz ZPQUYIWUTXQJSJ-UTUOFQBUSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075562766 677687667 /nfs/dbraw/zinc/68/76/67/677687667.db2.gz YACREIVRNOOEOY-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CCNC(=O)Cn1cnnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075562765 677687694 /nfs/dbraw/zinc/68/76/94/677687694.db2.gz YACREIVRNOOEOY-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(C)(F)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083305977 677687779 /nfs/dbraw/zinc/68/77/79/677687779.db2.gz NCGRUMCLYGLZSR-ZJUUUORDSA-N 1 1 302.350 -1.079 20 0 DAADMO CC(C)(F)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083305977 677687780 /nfs/dbraw/zinc/68/77/80/677687780.db2.gz NCGRUMCLYGLZSR-ZJUUUORDSA-N 1 1 302.350 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCOCC3)C2)C1 ZINC001041215957 677687879 /nfs/dbraw/zinc/68/78/79/677687879.db2.gz QHILOBJYXUJXFO-OAHLLOKOSA-N 1 1 310.398 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 ZINC001041215954 677687892 /nfs/dbraw/zinc/68/78/92/677687892.db2.gz QHILOBJYXUJXFO-HNNXBMFYSA-N 1 1 310.398 -1.272 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccncc1 ZINC001083309510 677687927 /nfs/dbraw/zinc/68/79/27/677687927.db2.gz ANYDKLRVUMXSQI-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccncc1 ZINC001083309510 677687928 /nfs/dbraw/zinc/68/79/28/677687928.db2.gz ANYDKLRVUMXSQI-OLZOCXBDSA-N 1 1 319.365 -1.118 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)CC(N)=O)C1 ZINC001058845828 677688256 /nfs/dbraw/zinc/68/82/56/677688256.db2.gz XIZUARWYYNSYEK-NSHDSACASA-N 1 1 314.386 -1.859 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001058846833 677688288 /nfs/dbraw/zinc/68/82/88/677688288.db2.gz GRZNRBUDFRHZLT-RYUDHWBXSA-N 1 1 301.387 -1.232 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058847467 677688356 /nfs/dbraw/zinc/68/83/56/677688356.db2.gz SGULUZBGLKVTMZ-GHMZBOCLSA-N 1 1 314.386 -2.003 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cn1cncn1 ZINC001058884403 677688824 /nfs/dbraw/zinc/68/88/24/677688824.db2.gz RRIJARWJMSDVCC-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1nnc[nH]1 ZINC001058889214 677688861 /nfs/dbraw/zinc/68/88/61/677688861.db2.gz AJXLLTIOJUJPFX-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643575 677690034 /nfs/dbraw/zinc/69/00/34/677690034.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643575 677690035 /nfs/dbraw/zinc/69/00/35/677690035.db2.gz CZJBBJYYNLEXAZ-BFHYXJOUSA-N 1 1 324.425 -1.062 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519320 677690131 /nfs/dbraw/zinc/69/01/31/677690131.db2.gz NCQHQQSHIOSNSG-NXEZZACHSA-N 1 1 319.383 -1.423 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519320 677690132 /nfs/dbraw/zinc/69/01/32/677690132.db2.gz NCQHQQSHIOSNSG-NXEZZACHSA-N 1 1 319.383 -1.423 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)nn1 ZINC001028518446 677690140 /nfs/dbraw/zinc/69/01/40/677690140.db2.gz UJQOVJUJOXOGTA-NSHDSACASA-N 1 1 321.385 -1.108 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083329877 677690200 /nfs/dbraw/zinc/69/02/00/677690200.db2.gz XYUCGOPTGBHIFA-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083329877 677690201 /nfs/dbraw/zinc/69/02/01/677690201.db2.gz XYUCGOPTGBHIFA-MNOVXSKESA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)nn1 ZINC001028518618 677690209 /nfs/dbraw/zinc/69/02/09/677690209.db2.gz WHORDIDLWATJPH-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)nn1 ZINC001028518618 677690210 /nfs/dbraw/zinc/69/02/10/677690210.db2.gz WHORDIDLWATJPH-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1COC(=O)N1 ZINC001028519265 677690266 /nfs/dbraw/zinc/69/02/66/677690266.db2.gz MACKHWWDIVUPBW-QWRGUYRKSA-N 1 1 308.342 -1.175 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001028518103 677690269 /nfs/dbraw/zinc/69/02/69/677690269.db2.gz OSBHERMAKPDVPD-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)nn1 ZINC001028518103 677690270 /nfs/dbraw/zinc/69/02/70/677690270.db2.gz OSBHERMAKPDVPD-SECBINFHSA-N 1 1 320.357 -1.511 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083329754 677690299 /nfs/dbraw/zinc/69/02/99/677690299.db2.gz UGZDEJYTKAMMFZ-UTUOFQBUSA-N 1 1 310.358 -1.597 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329798 677690316 /nfs/dbraw/zinc/69/03/16/677690316.db2.gz VJYYWPMLSCQGCR-NEPJUHHUSA-N 1 1 320.357 -2.189 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028520214 677690320 /nfs/dbraw/zinc/69/03/20/677690320.db2.gz YSSORJFTANINJL-MWLCHTKSSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028520214 677690321 /nfs/dbraw/zinc/69/03/21/677690321.db2.gz YSSORJFTANINJL-MWLCHTKSSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028520212 677690351 /nfs/dbraw/zinc/69/03/51/677690351.db2.gz YSSORJFTANINJL-GXSJLCMTSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028520212 677690352 /nfs/dbraw/zinc/69/03/52/677690352.db2.gz YSSORJFTANINJL-GXSJLCMTSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028522382 677690411 /nfs/dbraw/zinc/69/04/11/677690411.db2.gz RDHGFPMJYOULAO-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028522382 677690412 /nfs/dbraw/zinc/69/04/12/677690412.db2.gz RDHGFPMJYOULAO-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330068 677690426 /nfs/dbraw/zinc/69/04/26/677690426.db2.gz GJDVWCYMXFNKIQ-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330068 677690427 /nfs/dbraw/zinc/69/04/27/677690427.db2.gz GJDVWCYMXFNKIQ-OLZOCXBDSA-N 1 1 317.353 -1.262 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028522756 677690451 /nfs/dbraw/zinc/69/04/51/677690451.db2.gz ZYCZTORKRZSWEQ-VHSXEESVSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001028522754 677690464 /nfs/dbraw/zinc/69/04/64/677690464.db2.gz ZYCZTORKRZSWEQ-NXEZZACHSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)cn1 ZINC001083333286 677690669 /nfs/dbraw/zinc/69/06/69/677690669.db2.gz MSIQSENFWDNUKY-NEPJUHHUSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)cn1 ZINC001083333286 677690670 /nfs/dbraw/zinc/69/06/70/677690670.db2.gz MSIQSENFWDNUKY-NEPJUHHUSA-N 1 1 322.369 -1.780 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083338452 677690779 /nfs/dbraw/zinc/69/07/79/677690779.db2.gz NWXCHLPDVPJWCC-NEPJUHHUSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083338452 677690780 /nfs/dbraw/zinc/69/07/80/677690780.db2.gz NWXCHLPDVPJWCC-NEPJUHHUSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1ccn[nH]1 ZINC001083349232 677691031 /nfs/dbraw/zinc/69/10/31/677691031.db2.gz SMIDAWFVMCCIMC-JLLWLGSASA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cn[nH]c1 ZINC001083351570 677691171 /nfs/dbraw/zinc/69/11/71/677691171.db2.gz HLQAFYVNVCPRJB-UPJWGTAASA-N 1 1 320.353 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083350289 677691193 /nfs/dbraw/zinc/69/11/93/677691193.db2.gz KKMLAPYZCSQHRW-MNOVXSKESA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083350289 677691194 /nfs/dbraw/zinc/69/11/94/677691194.db2.gz KKMLAPYZCSQHRW-MNOVXSKESA-N 1 1 321.337 -1.666 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1cn[nH]c1 ZINC001083353853 677691424 /nfs/dbraw/zinc/69/14/24/677691424.db2.gz ZHLKVBBMJXCUMU-TUAOUCFPSA-N 1 1 317.353 -1.036 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083362595 677691696 /nfs/dbraw/zinc/69/16/96/677691696.db2.gz OJOUSQALLHLTCS-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083362595 677691697 /nfs/dbraw/zinc/69/16/97/677691697.db2.gz OJOUSQALLHLTCS-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083366154 677691752 /nfs/dbraw/zinc/69/17/52/677691752.db2.gz UWTXZHRKRARMEE-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)cn1 ZINC001083366154 677691753 /nfs/dbraw/zinc/69/17/53/677691753.db2.gz UWTXZHRKRARMEE-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083365425 677691767 /nfs/dbraw/zinc/69/17/67/677691767.db2.gz LJRXAGZMDQQGCK-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083365425 677691768 /nfs/dbraw/zinc/69/17/68/677691768.db2.gz LJRXAGZMDQQGCK-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083368592 677691885 /nfs/dbraw/zinc/69/18/85/677691885.db2.gz QWHKRKWMSGJGCA-UPJWGTAASA-N 1 1 308.386 -1.429 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O ZINC001083368437 677691907 /nfs/dbraw/zinc/69/19/07/677691907.db2.gz NDPHEVOXYAMDEF-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC001083372599 677692137 /nfs/dbraw/zinc/69/21/37/677692137.db2.gz XVRJUUPGJJPXOR-AGIUHOORSA-N 1 1 308.386 -1.429 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083375823 677692369 /nfs/dbraw/zinc/69/23/69/677692369.db2.gz RGRIXHFZBDZSER-AXFHLTTASA-N 1 1 307.354 -1.130 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC=CC1 ZINC001083379059 677692575 /nfs/dbraw/zinc/69/25/75/677692575.db2.gz SIILXXHMYBMQHE-NEPJUHHUSA-N 1 1 322.365 -1.334 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC=CC1 ZINC001083379059 677692576 /nfs/dbraw/zinc/69/25/76/677692576.db2.gz SIILXXHMYBMQHE-NEPJUHHUSA-N 1 1 322.365 -1.334 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385646 677692979 /nfs/dbraw/zinc/69/29/79/677692979.db2.gz UKOAFZWAWBAGKR-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001083385646 677692981 /nfs/dbraw/zinc/69/29/81/677692981.db2.gz UKOAFZWAWBAGKR-FRRDWIJNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1oncc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385015 677693060 /nfs/dbraw/zinc/69/30/60/677693060.db2.gz BKLJPTFSDKRLIF-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1oncc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385015 677693061 /nfs/dbraw/zinc/69/30/61/677693061.db2.gz BKLJPTFSDKRLIF-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nocc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385586 677693067 /nfs/dbraw/zinc/69/30/67/677693067.db2.gz SIBJQLKVFLLTAC-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nocc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385586 677693068 /nfs/dbraw/zinc/69/30/68/677693068.db2.gz SIBJQLKVFLLTAC-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)C1 ZINC001083385114 677693085 /nfs/dbraw/zinc/69/30/85/677693085.db2.gz DSVGNQPDJMWWRV-FRRDWIJNSA-N 1 1 321.381 -1.532 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ncccn3)C[C@@H]2O)C1 ZINC001083385114 677693086 /nfs/dbraw/zinc/69/30/86/677693086.db2.gz DSVGNQPDJMWWRV-FRRDWIJNSA-N 1 1 321.381 -1.532 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)C1 ZINC001083385492 677693101 /nfs/dbraw/zinc/69/31/01/677693101.db2.gz PLJNWAYILUJQDY-FRRDWIJNSA-N 1 1 310.354 -1.334 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3ccon3)C[C@@H]2O)C1 ZINC001083385492 677693102 /nfs/dbraw/zinc/69/31/02/677693102.db2.gz PLJNWAYILUJQDY-FRRDWIJNSA-N 1 1 310.354 -1.334 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[nH]1 ZINC001083385724 677693130 /nfs/dbraw/zinc/69/31/30/677693130.db2.gz XCMYVPHNSWDCDL-GRYCIOLGSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[nH]1 ZINC001083385724 677693131 /nfs/dbraw/zinc/69/31/31/677693131.db2.gz XCMYVPHNSWDCDL-GRYCIOLGSA-N 1 1 324.385 -1.895 20 0 DAADMO Cc1nocc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385585 677693137 /nfs/dbraw/zinc/69/31/37/677693137.db2.gz SIBJQLKVFLLTAC-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1nocc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385585 677693138 /nfs/dbraw/zinc/69/31/38/677693138.db2.gz SIBJQLKVFLLTAC-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001083391876 677693247 /nfs/dbraw/zinc/69/32/47/677693247.db2.gz PMHGMKMVGIXXPZ-JLLWLGSASA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001083391876 677693248 /nfs/dbraw/zinc/69/32/48/677693248.db2.gz PMHGMKMVGIXXPZ-JLLWLGSASA-N 1 1 324.381 -1.254 20 0 DAADMO CC1CC(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083398379 677693480 /nfs/dbraw/zinc/69/34/80/677693480.db2.gz CAGPXNUHJJTGPL-HCWSGVFWSA-N 1 1 324.381 -1.254 20 0 DAADMO CC1CC(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001083398379 677693481 /nfs/dbraw/zinc/69/34/81/677693481.db2.gz CAGPXNUHJJTGPL-HCWSGVFWSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735251 677694002 /nfs/dbraw/zinc/69/40/02/677694002.db2.gz JDUHGNPNGMKXSM-PWSUYJOCSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028735251 677694004 /nfs/dbraw/zinc/69/40/04/677694004.db2.gz JDUHGNPNGMKXSM-PWSUYJOCSA-N 1 1 306.370 -1.111 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734944 677694029 /nfs/dbraw/zinc/69/40/29/677694029.db2.gz DTXZRCIKKZUXJL-QWRGUYRKSA-N 1 1 317.411 -1.395 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001028734944 677694030 /nfs/dbraw/zinc/69/40/30/677694030.db2.gz DTXZRCIKKZUXJL-QWRGUYRKSA-N 1 1 317.411 -1.395 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734945 677694036 /nfs/dbraw/zinc/69/40/36/677694036.db2.gz DTXZRCIKKZUXJL-WDEREUQCSA-N 1 1 317.411 -1.395 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028734945 677694037 /nfs/dbraw/zinc/69/40/37/677694037.db2.gz DTXZRCIKKZUXJL-WDEREUQCSA-N 1 1 317.411 -1.395 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075699053 677694042 /nfs/dbraw/zinc/69/40/42/677694042.db2.gz QZNQXICQSDPAAC-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001075699053 677694043 /nfs/dbraw/zinc/69/40/43/677694043.db2.gz QZNQXICQSDPAAC-UONOGXRCSA-N 1 1 324.425 -1.061 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001028735786 677694090 /nfs/dbraw/zinc/69/40/90/677694090.db2.gz RMXHRUHSSJPJJY-CMPLNLGQSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001028735789 677694105 /nfs/dbraw/zinc/69/41/05/677694105.db2.gz RMXHRUHSSJPJJY-ZYHUDNBSSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001028735268 677694111 /nfs/dbraw/zinc/69/41/11/677694111.db2.gz JKIZJMZPIJGECV-VXGBXAGGSA-N 1 1 323.397 -1.414 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710609 677694296 /nfs/dbraw/zinc/69/42/96/677694296.db2.gz CCSSHJKCGLCSFD-GARJFASQSA-N 1 1 322.369 -1.220 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710605 677694310 /nfs/dbraw/zinc/69/43/10/677694310.db2.gz BXEQHYVXXXKIQE-KXUCPTDWSA-N 1 1 308.342 -1.610 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001075710605 677694311 /nfs/dbraw/zinc/69/43/11/677694311.db2.gz BXEQHYVXXXKIQE-KXUCPTDWSA-N 1 1 308.342 -1.610 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1=O ZINC001039995536 677694329 /nfs/dbraw/zinc/69/43/29/677694329.db2.gz PDHMDAXAKOSPNP-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001039995536 677694331 /nfs/dbraw/zinc/69/43/31/677694331.db2.gz PDHMDAXAKOSPNP-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001028936267 677694434 /nfs/dbraw/zinc/69/44/34/677694434.db2.gz SOMYKJRABPWIOF-RYUDHWBXSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC001075733714 677694459 /nfs/dbraw/zinc/69/44/59/677694459.db2.gz YAPDZGPXDKCLKW-WCQYABFASA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC001075733714 677694461 /nfs/dbraw/zinc/69/44/61/677694461.db2.gz YAPDZGPXDKCLKW-WCQYABFASA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC001075717836 677694506 /nfs/dbraw/zinc/69/45/06/677694506.db2.gz NKABACNTUUDUQN-GXSJLCMTSA-N 1 1 306.370 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C)c3N)[C@@H]2C1 ZINC001075717836 677694507 /nfs/dbraw/zinc/69/45/07/677694507.db2.gz NKABACNTUUDUQN-GXSJLCMTSA-N 1 1 306.370 -1.105 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001075752435 677694638 /nfs/dbraw/zinc/69/46/38/677694638.db2.gz AMUXZDFIXSSWHU-MVWJERBFSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001075752435 677694639 /nfs/dbraw/zinc/69/46/39/677694639.db2.gz AMUXZDFIXSSWHU-MVWJERBFSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001075751460 677694765 /nfs/dbraw/zinc/69/47/65/677694765.db2.gz JVQBODNMEHNPHE-QJPTWQEYSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001075751460 677694767 /nfs/dbraw/zinc/69/47/67/677694767.db2.gz JVQBODNMEHNPHE-QJPTWQEYSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083404043 677694885 /nfs/dbraw/zinc/69/48/85/677694885.db2.gz WKCDQBXIACBWEO-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCNC(=O)C1 ZINC001083404043 677694887 /nfs/dbraw/zinc/69/48/87/677694887.db2.gz WKCDQBXIACBWEO-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)c1 ZINC001083405699 677695383 /nfs/dbraw/zinc/69/53/83/677695383.db2.gz VXAIIRWMAOWUBR-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)c1 ZINC001083405699 677695384 /nfs/dbraw/zinc/69/53/84/677695384.db2.gz VXAIIRWMAOWUBR-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083413193 677696028 /nfs/dbraw/zinc/69/60/28/677696028.db2.gz CPYGVPINHXGSIE-MXWKQRLJSA-N 1 1 324.381 -1.254 20 0 DAADMO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083413193 677696030 /nfs/dbraw/zinc/69/60/30/677696030.db2.gz CPYGVPINHXGSIE-MXWKQRLJSA-N 1 1 324.381 -1.254 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796961 677696488 /nfs/dbraw/zinc/69/64/88/677696488.db2.gz LMFHTBTXMCVNJB-GARJFASQSA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796961 677696489 /nfs/dbraw/zinc/69/64/89/677696489.db2.gz LMFHTBTXMCVNJB-GARJFASQSA-N 1 1 307.358 -1.660 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415572 677696521 /nfs/dbraw/zinc/69/65/21/677696521.db2.gz SFKDIXWJHGNLJG-XQQFMLRXSA-N 1 1 301.387 -1.485 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1)OC ZINC001083415628 677696540 /nfs/dbraw/zinc/69/65/40/677696540.db2.gz VTYJPCCSZAMKGC-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083415744 677696763 /nfs/dbraw/zinc/69/67/63/677696763.db2.gz JEIBTTPKBZRXON-OLZOCXBDSA-N 1 1 324.385 -2.228 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083415744 677696766 /nfs/dbraw/zinc/69/67/66/677696766.db2.gz JEIBTTPKBZRXON-OLZOCXBDSA-N 1 1 324.385 -2.228 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1cncn1 ZINC001083416218 677697035 /nfs/dbraw/zinc/69/70/35/677697035.db2.gz CSUIDACRBLYSHK-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)n1cncn1 ZINC001083416218 677697036 /nfs/dbraw/zinc/69/70/36/677697036.db2.gz CSUIDACRBLYSHK-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)n1 ZINC001075813576 677697348 /nfs/dbraw/zinc/69/73/48/677697348.db2.gz NLJXVGZIBZILOW-VHSXEESVSA-N 1 1 308.342 -2.098 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)n1cncn1 ZINC001083416686 677697398 /nfs/dbraw/zinc/69/73/98/677697398.db2.gz QXSJLAZGLCEGNL-UTUOFQBUSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)n1cncn1 ZINC001083416686 677697400 /nfs/dbraw/zinc/69/74/00/677697400.db2.gz QXSJLAZGLCEGNL-UTUOFQBUSA-N 1 1 320.357 -1.708 20 0 DAADMO C[C@@H](CCNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075818384 677697955 /nfs/dbraw/zinc/69/79/55/677697955.db2.gz OCRSOTYWMALAKF-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418841 677699082 /nfs/dbraw/zinc/69/90/82/677699082.db2.gz CLCALTJUGJARMZ-AEJSXWLSSA-N 1 1 301.322 -1.107 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083418841 677699085 /nfs/dbraw/zinc/69/90/85/677699085.db2.gz CLCALTJUGJARMZ-AEJSXWLSSA-N 1 1 301.322 -1.107 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001083418874 677699159 /nfs/dbraw/zinc/69/91/59/677699159.db2.gz FEMLCMSHUUQTOX-AXFHLTTASA-N 1 1 311.342 -1.819 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396478 677699351 /nfs/dbraw/zinc/69/93/51/677699351.db2.gz BMNCRVYPEIUMSU-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396478 677699353 /nfs/dbraw/zinc/69/93/53/677699353.db2.gz BMNCRVYPEIUMSU-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396477 677699402 /nfs/dbraw/zinc/69/94/02/677699402.db2.gz BMNCRVYPEIUMSU-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CCNC(=O)C(N)=O)C2)C1 ZINC001059396477 677699403 /nfs/dbraw/zinc/69/94/03/677699403.db2.gz BMNCRVYPEIUMSU-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)c1N ZINC001083420500 677699840 /nfs/dbraw/zinc/69/98/40/677699840.db2.gz HGGDFCWUERYLOH-WCQGTBRESA-N 1 1 309.370 -1.186 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835071 677700355 /nfs/dbraw/zinc/70/03/55/677700355.db2.gz XIXJNBPDYGTLOI-SDDRHHMPSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835071 677700357 /nfs/dbraw/zinc/70/03/57/677700357.db2.gz XIXJNBPDYGTLOI-SDDRHHMPSA-N 1 1 306.370 -1.055 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1=CCOCC1 ZINC001083423763 677700905 /nfs/dbraw/zinc/70/09/05/677700905.db2.gz LEOOXVNWMHWPNX-OLZOCXBDSA-N 1 1 307.354 -1.214 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1=CCOCC1 ZINC001083423763 677700908 /nfs/dbraw/zinc/70/09/08/677700908.db2.gz LEOOXVNWMHWPNX-OLZOCXBDSA-N 1 1 307.354 -1.214 20 0 DAADMO CC(C)(C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)N1CCOCC1 ZINC000897277933 677701523 /nfs/dbraw/zinc/70/15/23/677701523.db2.gz NXZFJWFRKTXRRC-LBPRGKRZSA-N 1 1 318.443 -1.069 20 0 DAADMO CC(C)(CN1CCN2[C@@H](CNS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000897277933 677701529 /nfs/dbraw/zinc/70/15/29/677701529.db2.gz NXZFJWFRKTXRRC-LBPRGKRZSA-N 1 1 318.443 -1.069 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029588364 677701648 /nfs/dbraw/zinc/70/16/48/677701648.db2.gz UBFKTTIRGWNOIS-GRYCIOLGSA-N 1 1 317.411 -1.264 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029588471 677701669 /nfs/dbraw/zinc/70/16/69/677701669.db2.gz XPAMWQXOQDKCDS-OUAUKWLOSA-N 1 1 303.384 -1.654 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029590003 677701682 /nfs/dbraw/zinc/70/16/82/677701682.db2.gz DAQUTRQZZFYCAX-HZSPNIEDSA-N 1 1 311.382 -1.099 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCN(C(=O)CC(N)=O)C2)nc1=O ZINC001029680961 677702526 /nfs/dbraw/zinc/70/25/26/677702526.db2.gz CWDMBBAKYQPDGN-SECBINFHSA-N 1 1 310.358 -1.736 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCOCC2)C1)[C@@H]1CCNC1=O ZINC001029710491 677702566 /nfs/dbraw/zinc/70/25/66/677702566.db2.gz RTVGLEWQZHAXFM-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000985447731 677702620 /nfs/dbraw/zinc/70/26/20/677702620.db2.gz SOZPUOFUZQTHRN-VIFPVBQESA-N 1 1 317.411 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000985447731 677702622 /nfs/dbraw/zinc/70/26/22/677702622.db2.gz SOZPUOFUZQTHRN-VIFPVBQESA-N 1 1 317.411 -1.172 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001029681476 677702644 /nfs/dbraw/zinc/70/26/44/677702644.db2.gz KFXQEBVOXXHBKR-ZJUUUORDSA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000985459737 677702795 /nfs/dbraw/zinc/70/27/95/677702795.db2.gz MHLBJRQMEGUNTP-UHFFFAOYSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCOCC2)C1)[C@H]1CCNC1=O ZINC001029710490 677702829 /nfs/dbraw/zinc/70/28/29/677702829.db2.gz RTVGLEWQZHAXFM-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H](c1nnnn1C)[N@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681277 677702910 /nfs/dbraw/zinc/70/29/10/677702910.db2.gz IHBYJEGNPCWTOG-ZJUUUORDSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@H](c1nnnn1C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001029681277 677702913 /nfs/dbraw/zinc/70/29/13/677702913.db2.gz IHBYJEGNPCWTOG-ZJUUUORDSA-N 1 1 309.374 -1.073 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC001075858080 677703443 /nfs/dbraw/zinc/70/34/43/677703443.db2.gz VHMZYUKYQPTCBY-NWDGAFQWSA-N 1 1 322.365 -1.928 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000987298248 677706992 /nfs/dbraw/zinc/70/69/92/677706992.db2.gz XRDJJTRRWVBJNY-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001075888649 677707566 /nfs/dbraw/zinc/70/75/66/677707566.db2.gz UXIVUMYKELPVOE-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nccnc1N ZINC000988394484 677710458 /nfs/dbraw/zinc/71/04/58/677710458.db2.gz LTTSDVQKGKGUSY-IUCAKERBSA-N 1 1 317.357 -1.025 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083431015 677710799 /nfs/dbraw/zinc/71/07/99/677710799.db2.gz ALXFRQPCWTXFCU-YUTCNCBUSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083432746 677711846 /nfs/dbraw/zinc/71/18/46/677711846.db2.gz BVQILMSLXDHYHD-AGIUHOORSA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083432746 677711849 /nfs/dbraw/zinc/71/18/49/677711849.db2.gz BVQILMSLXDHYHD-AGIUHOORSA-N 1 1 321.381 -1.598 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439538 677713980 /nfs/dbraw/zinc/71/39/80/677713980.db2.gz HEISKGROHZWOFF-WOPDTQHZSA-N 1 1 313.354 -1.317 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3COC(=O)N3)[C@@H](O)C2)cn1 ZINC001083439977 677714218 /nfs/dbraw/zinc/71/42/18/677714218.db2.gz VPFQNXWLXMMHLV-UTUOFQBUSA-N 1 1 323.353 -1.768 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001075911256 677714430 /nfs/dbraw/zinc/71/44/30/677714430.db2.gz WRPBWEKHIMQGLL-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001075911256 677714434 /nfs/dbraw/zinc/71/44/34/677714434.db2.gz WRPBWEKHIMQGLL-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083445929 677715948 /nfs/dbraw/zinc/71/59/48/677715948.db2.gz ALSWHHFNQNBGGO-MNOVXSKESA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083445929 677715951 /nfs/dbraw/zinc/71/59/51/677715951.db2.gz ALSWHHFNQNBGGO-MNOVXSKESA-N 1 1 307.354 -1.193 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083445961 677716042 /nfs/dbraw/zinc/71/60/42/677716042.db2.gz BTBZMTNSGWEPMH-NEPJUHHUSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083445961 677716046 /nfs/dbraw/zinc/71/60/46/677716046.db2.gz BTBZMTNSGWEPMH-NEPJUHHUSA-N 1 1 320.357 -1.635 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001083448245 677716699 /nfs/dbraw/zinc/71/66/99/677716699.db2.gz DNWRSMMIXGQMID-AEJSXWLSSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001083448245 677716703 /nfs/dbraw/zinc/71/67/03/677716703.db2.gz DNWRSMMIXGQMID-AEJSXWLSSA-N 1 1 318.324 -1.172 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083451030 677717209 /nfs/dbraw/zinc/71/72/09/677717209.db2.gz VUNSBIKQEJOLDY-BDAKNGLRSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC001083451030 677717213 /nfs/dbraw/zinc/71/72/13/677717213.db2.gz VUNSBIKQEJOLDY-BDAKNGLRSA-N 1 1 322.325 -2.264 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)[nH]1 ZINC001083452711 677717329 /nfs/dbraw/zinc/71/73/29/677717329.db2.gz XPBFLWIJEOPAAD-MNOVXSKESA-N 1 1 320.357 -1.891 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)[nH]1 ZINC001083452711 677717332 /nfs/dbraw/zinc/71/73/32/677717332.db2.gz XPBFLWIJEOPAAD-MNOVXSKESA-N 1 1 320.357 -1.891 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)nn1 ZINC001083453286 677717747 /nfs/dbraw/zinc/71/77/47/677717747.db2.gz YQAQLSKVELKTLV-PWSUYJOCSA-N 1 1 313.358 -1.654 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)nn1 ZINC001083453286 677717750 /nfs/dbraw/zinc/71/77/50/677717750.db2.gz YQAQLSKVELKTLV-PWSUYJOCSA-N 1 1 313.358 -1.654 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1C ZINC001083458266 677718209 /nfs/dbraw/zinc/71/82/09/677718209.db2.gz FQVKVAWEXBXCOM-OLZOCXBDSA-N 1 1 312.370 -1.395 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC001083458266 677718213 /nfs/dbraw/zinc/71/82/13/677718213.db2.gz FQVKVAWEXBXCOM-OLZOCXBDSA-N 1 1 312.370 -1.395 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)nn1 ZINC001083455008 677718481 /nfs/dbraw/zinc/71/84/81/677718481.db2.gz HRBQQDTUCYLLBE-FOGDFJRCSA-N 1 1 313.358 -1.920 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H](O)C1 ZINC001083459831 677718514 /nfs/dbraw/zinc/71/85/14/677718514.db2.gz CCMSVIHKBUHBSD-WCQGTBRESA-N 1 1 309.370 -1.302 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c(C)n1 ZINC001083458234 677718597 /nfs/dbraw/zinc/71/85/97/677718597.db2.gz DBYUULYKQAFXDV-OLZOCXBDSA-N 1 1 312.370 -1.395 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(C)n1 ZINC001083458234 677718598 /nfs/dbraw/zinc/71/85/98/677718598.db2.gz DBYUULYKQAFXDV-OLZOCXBDSA-N 1 1 312.370 -1.395 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001075941566 677720040 /nfs/dbraw/zinc/72/00/40/677720040.db2.gz YANWIODAVSOKII-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083463828 677720477 /nfs/dbraw/zinc/72/04/77/677720477.db2.gz CEEYNQZULYEPBM-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001075942547 677720599 /nfs/dbraw/zinc/72/05/99/677720599.db2.gz KPEZWVFBFXJGAZ-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083463854 677720716 /nfs/dbraw/zinc/72/07/16/677720716.db2.gz DJJYNZRHNPDMEY-ZJUUUORDSA-N 1 1 324.345 -3.140 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083463854 677720719 /nfs/dbraw/zinc/72/07/19/677720719.db2.gz DJJYNZRHNPDMEY-ZJUUUORDSA-N 1 1 324.345 -3.140 20 0 DAADMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)C1 ZINC001083464259 677720894 /nfs/dbraw/zinc/72/08/94/677720894.db2.gz XEQYWRKBDYWTQF-TUUUFIMRSA-N 1 1 324.385 -1.351 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042738457 677722285 /nfs/dbraw/zinc/72/22/85/677722285.db2.gz WTIWQSSDLXWZHW-SNVBAGLBSA-N 1 1 312.370 -2.236 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1=O ZINC001075963484 677723104 /nfs/dbraw/zinc/72/31/04/677723104.db2.gz RMGTWFSMMWYBIL-UONOGXRCSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC001075968515 677723233 /nfs/dbraw/zinc/72/32/33/677723233.db2.gz FSXFJSPEMZSNBQ-VHSXEESVSA-N 1 1 308.342 -2.400 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC001075968515 677723237 /nfs/dbraw/zinc/72/32/37/677723237.db2.gz FSXFJSPEMZSNBQ-VHSXEESVSA-N 1 1 308.342 -2.400 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075969782 677723491 /nfs/dbraw/zinc/72/34/91/677723491.db2.gz ALKBJSWBVBPXAP-NWDGAFQWSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075969782 677723493 /nfs/dbraw/zinc/72/34/93/677723493.db2.gz ALKBJSWBVBPXAP-NWDGAFQWSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083483217 677725296 /nfs/dbraw/zinc/72/52/96/677725296.db2.gz NAUNTGAHZWUZRR-NEPJUHHUSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1cc[nH]c1 ZINC001083483217 677725298 /nfs/dbraw/zinc/72/52/98/677725298.db2.gz NAUNTGAHZWUZRR-NEPJUHHUSA-N 1 1 320.349 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c(c1)NC(=O)C2 ZINC001083485668 677725488 /nfs/dbraw/zinc/72/54/88/677725488.db2.gz LTLGDDPITCVOHD-OLZOCXBDSA-N 1 1 305.334 -1.052 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(c1)NC(=O)C2 ZINC001083485668 677725491 /nfs/dbraw/zinc/72/54/91/677725491.db2.gz LTLGDDPITCVOHD-OLZOCXBDSA-N 1 1 305.334 -1.052 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492711 677726402 /nfs/dbraw/zinc/72/64/02/677726402.db2.gz PHBYIVFRWXFHOI-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083492483 677726613 /nfs/dbraw/zinc/72/66/13/677726613.db2.gz DSNZPQFEVFIGBK-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083492483 677726617 /nfs/dbraw/zinc/72/66/17/677726617.db2.gz DSNZPQFEVFIGBK-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1=O ZINC001083502627 677727964 /nfs/dbraw/zinc/72/79/64/677727964.db2.gz OMDPEHDJKXZHFS-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CC1=O ZINC001083502627 677727968 /nfs/dbraw/zinc/72/79/68/677727968.db2.gz OMDPEHDJKXZHFS-XQQFMLRXSA-N 1 1 321.381 -1.477 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083506115 677728763 /nfs/dbraw/zinc/72/87/63/677728763.db2.gz QGIDBXYXFARSNS-MNOVXSKESA-N 1 1 310.354 -1.883 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083506824 677728981 /nfs/dbraw/zinc/72/89/81/677728981.db2.gz CSNCXZPJOLRLQT-NEPJUHHUSA-N 1 1 310.354 -1.049 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083506824 677728982 /nfs/dbraw/zinc/72/89/82/677728982.db2.gz CSNCXZPJOLRLQT-NEPJUHHUSA-N 1 1 310.354 -1.049 20 0 DAADMO CC(=O)Nc1cccnc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083511879 677728992 /nfs/dbraw/zinc/72/89/92/677728992.db2.gz NTGWJTYAYLDRLW-NEPJUHHUSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1cccnc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083511879 677728993 /nfs/dbraw/zinc/72/89/93/677728993.db2.gz NTGWJTYAYLDRLW-NEPJUHHUSA-N 1 1 308.338 -1.193 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083506698 677729044 /nfs/dbraw/zinc/72/90/44/677729044.db2.gz WAGFZIZVSURUHB-MNOVXSKESA-N 1 1 321.399 -2.434 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)nc1 ZINC001083510630 677729076 /nfs/dbraw/zinc/72/90/76/677729076.db2.gz KPVJCKXUGUDIFR-OLZOCXBDSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nc1 ZINC001083510630 677729080 /nfs/dbraw/zinc/72/90/80/677729080.db2.gz KPVJCKXUGUDIFR-OLZOCXBDSA-N 1 1 308.338 -1.193 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)[C@@H]2C1 ZINC001076002843 677729179 /nfs/dbraw/zinc/72/91/79/677729179.db2.gz DYMMCPHVOJQVSA-GRYCIOLGSA-N 1 1 322.365 -1.138 20 0 DAADMO CCc1c(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)[nH]c(C)c1C(N)=O ZINC001083519915 677729851 /nfs/dbraw/zinc/72/98/51/677729851.db2.gz OKZAUCSFUCDOAA-MNOVXSKESA-N 1 1 324.381 -1.248 20 0 DAADMO CCc1c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)[nH]c(C)c1C(N)=O ZINC001083519915 677729855 /nfs/dbraw/zinc/72/98/55/677729855.db2.gz OKZAUCSFUCDOAA-MNOVXSKESA-N 1 1 324.381 -1.248 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083524412 677730794 /nfs/dbraw/zinc/73/07/94/677730794.db2.gz UBKDUWBIVBRUTD-XQQFMLRXSA-N 1 1 312.414 -1.104 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529027 677730843 /nfs/dbraw/zinc/73/08/43/677730843.db2.gz WIPXHVIHRBSZPJ-MNOVXSKESA-N 1 1 301.343 -2.347 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@@H](O)C1 ZINC001083529630 677730944 /nfs/dbraw/zinc/73/09/44/677730944.db2.gz YCZMXJUACPUEJP-ONOSFVFSSA-N 1 1 306.326 -1.491 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529728 677731162 /nfs/dbraw/zinc/73/11/62/677731162.db2.gz DAOBHPQCHHAQFZ-TUAOUCFPSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](O)C1 ZINC001083529384 677731227 /nfs/dbraw/zinc/73/12/27/677731227.db2.gz MXDCYXFRQFHFGL-XWIASGKRSA-N 1 1 305.338 -1.115 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529973 677731711 /nfs/dbraw/zinc/73/17/11/677731711.db2.gz QSCAHCBAMQHQFP-TUAOUCFPSA-N 1 1 315.370 -1.959 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001040340721 677731764 /nfs/dbraw/zinc/73/17/64/677731764.db2.gz LGQMMNZJYGOZGO-CQSZACIVSA-N 1 1 321.385 -1.116 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001040340721 677731765 /nfs/dbraw/zinc/73/17/65/677731765.db2.gz LGQMMNZJYGOZGO-CQSZACIVSA-N 1 1 321.385 -1.116 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537092 677732226 /nfs/dbraw/zinc/73/22/26/677732226.db2.gz AULMUOVNGGNWGF-WCQGTBRESA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001076027420 677732607 /nfs/dbraw/zinc/73/26/07/677732607.db2.gz OSKJLPGDLSOKTM-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)n1 ZINC001076027420 677732609 /nfs/dbraw/zinc/73/26/09/677732609.db2.gz OSKJLPGDLSOKTM-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001076028833 677732667 /nfs/dbraw/zinc/73/26/67/677732667.db2.gz PBOMIDJZMDNSSG-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001076028833 677732671 /nfs/dbraw/zinc/73/26/71/677732671.db2.gz PBOMIDJZMDNSSG-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001076027423 677732841 /nfs/dbraw/zinc/73/28/41/677732841.db2.gz OVARFMJVIPBQBM-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001076027423 677732843 /nfs/dbraw/zinc/73/28/43/677732843.db2.gz OVARFMJVIPBQBM-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076027400 677733110 /nfs/dbraw/zinc/73/31/10/677733110.db2.gz OJDAIOKXWWRNEQ-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076027400 677733113 /nfs/dbraw/zinc/73/31/13/677733113.db2.gz OJDAIOKXWWRNEQ-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087013 677733428 /nfs/dbraw/zinc/73/34/28/677733428.db2.gz CQRHJGILUBGGDI-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC001076087013 677733429 /nfs/dbraw/zinc/73/34/29/677733429.db2.gz CQRHJGILUBGGDI-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)c1=O ZINC001076082702 677733454 /nfs/dbraw/zinc/73/34/54/677733454.db2.gz WKMYPMCZCXFFOQ-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126277 677733952 /nfs/dbraw/zinc/73/39/52/677733952.db2.gz RYHQURAXXOEZTH-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076126277 677733953 /nfs/dbraw/zinc/73/39/53/677733953.db2.gz RYHQURAXXOEZTH-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128381 677734085 /nfs/dbraw/zinc/73/40/85/677734085.db2.gz UJKXAROPFBRMFO-RWMBFGLXSA-N 1 1 310.398 -1.668 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC001076121115 677734386 /nfs/dbraw/zinc/73/43/86/677734386.db2.gz QSLBJTXCLZKZRZ-GXSJLCMTSA-N 1 1 308.338 -1.376 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1=O ZINC001076193996 677734575 /nfs/dbraw/zinc/73/45/75/677734575.db2.gz RAYLBPIBPVKTMT-NWDGAFQWSA-N 1 1 304.350 -1.097 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001076151139 677734883 /nfs/dbraw/zinc/73/48/83/677734883.db2.gz JKIAFIKWGICHRK-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001076151139 677734887 /nfs/dbraw/zinc/73/48/87/677734887.db2.gz JKIAFIKWGICHRK-QJPTWQEYSA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC001076142254 677735025 /nfs/dbraw/zinc/73/50/25/677735025.db2.gz VMKZTRIHLUPPRY-HBNTYKKESA-N 1 1 319.369 -1.413 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141836 677735039 /nfs/dbraw/zinc/73/50/39/677735039.db2.gz GSDPAQZTNORYSH-KXUCPTDWSA-N 1 1 307.358 -1.509 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141836 677735040 /nfs/dbraw/zinc/73/50/40/677735040.db2.gz GSDPAQZTNORYSH-KXUCPTDWSA-N 1 1 307.358 -1.509 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001076197156 677735297 /nfs/dbraw/zinc/73/52/97/677735297.db2.gz YGEOYGPXTLKXNU-MVWJERBFSA-N 1 1 321.381 -1.521 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1)NC1CC1 ZINC001076197156 677735300 /nfs/dbraw/zinc/73/53/00/677735300.db2.gz YGEOYGPXTLKXNU-MVWJERBFSA-N 1 1 321.381 -1.521 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001076199616 677735550 /nfs/dbraw/zinc/73/55/50/677735550.db2.gz UTUHUDBVQGKYOF-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076198880 677735633 /nfs/dbraw/zinc/73/56/33/677735633.db2.gz RIFMHEXKUCTOLD-OUAUKWLOSA-N 1 1 315.395 -1.561 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076198880 677735634 /nfs/dbraw/zinc/73/56/34/677735634.db2.gz RIFMHEXKUCTOLD-OUAUKWLOSA-N 1 1 315.395 -1.561 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076248024 677736761 /nfs/dbraw/zinc/73/67/61/677736761.db2.gz SNZXGHBXOTWARS-WHOHXGKFSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076248024 677736765 /nfs/dbraw/zinc/73/67/65/677736765.db2.gz SNZXGHBXOTWARS-WHOHXGKFSA-N 1 1 308.382 -1.271 20 0 DAADMO C[C@@H](CCNC(=O)CN1CN=NC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076227165 677736807 /nfs/dbraw/zinc/73/68/07/677736807.db2.gz NTELCKDQYDVVAL-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@@H]1CCCNC1=O ZINC001083545259 677737905 /nfs/dbraw/zinc/73/79/05/677737905.db2.gz JNUADEXTTAPCHW-UPJWGTAASA-N 1 1 321.381 -1.429 20 0 DAADMO Cn1ncc(CCC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC001076252735 677737931 /nfs/dbraw/zinc/73/79/31/677737931.db2.gz QOUWIGPGSBUXQT-CMPLNLGQSA-N 1 1 306.370 -1.234 20 0 DAADMO Cn1ncc(CCC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)n1 ZINC001076252735 677737933 /nfs/dbraw/zinc/73/79/33/677737933.db2.gz QOUWIGPGSBUXQT-CMPLNLGQSA-N 1 1 306.370 -1.234 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355895 677739717 /nfs/dbraw/zinc/73/97/17/677739717.db2.gz KEESZJUUAPBMLR-ATZCPNFKSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355895 677739720 /nfs/dbraw/zinc/73/97/20/677739720.db2.gz KEESZJUUAPBMLR-ATZCPNFKSA-N 1 1 322.365 -1.554 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)S1(=O)=O ZINC001076351058 677739748 /nfs/dbraw/zinc/73/97/48/677739748.db2.gz QIXACNSANSUBRA-QJPTWQEYSA-N 1 1 317.411 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355740 677739811 /nfs/dbraw/zinc/73/98/11/677739811.db2.gz CWJQMJAWVQECIG-JFGNBEQYSA-N 1 1 309.366 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076353845 677739832 /nfs/dbraw/zinc/73/98/32/677739832.db2.gz WQCICEKKAPPYMD-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076353845 677739835 /nfs/dbraw/zinc/73/98/35/677739835.db2.gz WQCICEKKAPPYMD-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001076365408 677740363 /nfs/dbraw/zinc/74/03/63/677740363.db2.gz WIDIQTCKZAOEMB-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001076365408 677740365 /nfs/dbraw/zinc/74/03/65/677740365.db2.gz WIDIQTCKZAOEMB-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076397328 677741302 /nfs/dbraw/zinc/74/13/02/677741302.db2.gz HDEBORDCMOPUFT-SDDRHHMPSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076397327 677741397 /nfs/dbraw/zinc/74/13/97/677741397.db2.gz HDEBORDCMOPUFT-QJPTWQEYSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083546985 677741431 /nfs/dbraw/zinc/74/14/31/677741431.db2.gz OLVPMSFVTQEPAC-WCQGTBRESA-N 1 1 308.338 -1.006 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478179 677742964 /nfs/dbraw/zinc/74/29/64/677742964.db2.gz PRPRSQHWINZZAQ-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478179 677742969 /nfs/dbraw/zinc/74/29/69/677742969.db2.gz PRPRSQHWINZZAQ-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076508120 677743011 /nfs/dbraw/zinc/74/30/11/677743011.db2.gz KDHZQIFPBAVRMH-RWMBFGLXSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076508120 677743013 /nfs/dbraw/zinc/74/30/13/677743013.db2.gz KDHZQIFPBAVRMH-RWMBFGLXSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001076551244 677743483 /nfs/dbraw/zinc/74/34/83/677743483.db2.gz ULJMJXWWWFKAEW-NWDGAFQWSA-N 1 1 323.397 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)[C@@H]2C1 ZINC001076551244 677743486 /nfs/dbraw/zinc/74/34/86/677743486.db2.gz ULJMJXWWWFKAEW-NWDGAFQWSA-N 1 1 323.397 -1.205 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)n1C ZINC001076519168 677743558 /nfs/dbraw/zinc/74/35/58/677743558.db2.gz RGYJWOLYGBIFBV-NWDGAFQWSA-N 1 1 309.370 -1.585 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076537213 677743827 /nfs/dbraw/zinc/74/38/27/677743827.db2.gz ZYNYWPFUKHNNHP-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC001076537213 677743831 /nfs/dbraw/zinc/74/38/31/677743831.db2.gz ZYNYWPFUKHNNHP-JBLDHEPKSA-N 1 1 319.365 -1.200 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)n1C ZINC001076517358 677743882 /nfs/dbraw/zinc/74/38/82/677743882.db2.gz LBGZPUFBKDRQEA-WDEREUQCSA-N 1 1 322.369 -2.092 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)n1C ZINC001076517358 677743885 /nfs/dbraw/zinc/74/38/85/677743885.db2.gz LBGZPUFBKDRQEA-WDEREUQCSA-N 1 1 322.369 -2.092 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001076545179 677744176 /nfs/dbraw/zinc/74/41/76/677744176.db2.gz NIPYJYPHFYIPGK-VHSXEESVSA-N 1 1 323.353 -2.102 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001076545179 677744180 /nfs/dbraw/zinc/74/41/80/677744180.db2.gz NIPYJYPHFYIPGK-VHSXEESVSA-N 1 1 323.353 -2.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549167 677744365 /nfs/dbraw/zinc/74/43/65/677744365.db2.gz XLEPPLXUQRUAPC-OUAUKWLOSA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001076549167 677744366 /nfs/dbraw/zinc/74/43/66/677744366.db2.gz XLEPPLXUQRUAPC-OUAUKWLOSA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001076588323 677744614 /nfs/dbraw/zinc/74/46/14/677744614.db2.gz QLSHOCWPDCAVRG-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001076585738 677744757 /nfs/dbraw/zinc/74/47/57/677744757.db2.gz SCEKWKPJPSHFNP-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC001076594645 677744804 /nfs/dbraw/zinc/74/48/04/677744804.db2.gz QTEBUSFCABKIRX-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC001076594645 677744806 /nfs/dbraw/zinc/74/48/06/677744806.db2.gz QTEBUSFCABKIRX-XQQFMLRXSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001076576691 677744811 /nfs/dbraw/zinc/74/48/11/677744811.db2.gz WEIADOACEOFCTF-MELADBBJSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607450 677745396 /nfs/dbraw/zinc/74/53/96/677745396.db2.gz GDZBFRZXOYRZDW-JFGNBEQYSA-N 1 1 322.369 -1.710 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001076654667 677746552 /nfs/dbraw/zinc/74/65/52/677746552.db2.gz YANMMFQEFRVDNA-GMTAPVOTSA-N 1 1 313.354 -1.932 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001076654667 677746555 /nfs/dbraw/zinc/74/65/55/677746555.db2.gz YANMMFQEFRVDNA-GMTAPVOTSA-N 1 1 313.354 -1.932 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076646117 677746585 /nfs/dbraw/zinc/74/65/85/677746585.db2.gz YGDBWCSUMYIVOW-IVZWLZJFSA-N 1 1 308.338 -1.943 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001076646117 677746587 /nfs/dbraw/zinc/74/65/87/677746587.db2.gz YGDBWCSUMYIVOW-IVZWLZJFSA-N 1 1 308.338 -1.943 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CCOCC1 ZINC001076675297 677748598 /nfs/dbraw/zinc/74/85/98/677748598.db2.gz UOURLQZSBMUODJ-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CCOCC1 ZINC001076675297 677748601 /nfs/dbraw/zinc/74/86/01/677748601.db2.gz UOURLQZSBMUODJ-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1ccncc1 ZINC001076680659 677748927 /nfs/dbraw/zinc/74/89/27/677748927.db2.gz ANYDKLRVUMXSQI-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ccncc1 ZINC001076680659 677748930 /nfs/dbraw/zinc/74/89/30/677748930.db2.gz ANYDKLRVUMXSQI-CHWSQXEVSA-N 1 1 319.365 -1.118 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cnccn1 ZINC001076695850 677749494 /nfs/dbraw/zinc/74/94/94/677749494.db2.gz URNBOXFJFYRDAU-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnccn1 ZINC001076695850 677749497 /nfs/dbraw/zinc/74/94/97/677749497.db2.gz URNBOXFJFYRDAU-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCCO1 ZINC001076707653 677749943 /nfs/dbraw/zinc/74/99/43/677749943.db2.gz KJHCSAZUWDSITP-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCCO1 ZINC001076707653 677749947 /nfs/dbraw/zinc/74/99/47/677749947.db2.gz KJHCSAZUWDSITP-UPJWGTAASA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001076723251 677751072 /nfs/dbraw/zinc/75/10/72/677751072.db2.gz RYXPJINSGYBWKA-VXGBXAGGSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076723282 677751093 /nfs/dbraw/zinc/75/10/93/677751093.db2.gz UIHXXBUDECOKKX-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076723282 677751094 /nfs/dbraw/zinc/75/10/94/677751094.db2.gz UIHXXBUDECOKKX-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001076724300 677751589 /nfs/dbraw/zinc/75/15/89/677751589.db2.gz NZVBNWYIXUPPBW-IJLUTSLNSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001076723872 677751631 /nfs/dbraw/zinc/75/16/31/677751631.db2.gz CHTQNANRCPTOTB-YNEHKIRRSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001076724083 677751898 /nfs/dbraw/zinc/75/18/98/677751898.db2.gz IWHMPHMROCTSAO-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076724429 677752339 /nfs/dbraw/zinc/75/23/39/677752339.db2.gz VJYYWPMLSCQGCR-VXGBXAGGSA-N 1 1 320.357 -2.189 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001076746610 677753157 /nfs/dbraw/zinc/75/31/57/677753157.db2.gz JBNFLDQDKXMHQG-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1=O ZINC001076746610 677753160 /nfs/dbraw/zinc/75/31/60/677753160.db2.gz JBNFLDQDKXMHQG-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1cn[nH]c1 ZINC001076758875 677754988 /nfs/dbraw/zinc/75/49/88/677754988.db2.gz HLQAFYVNVCPRJB-JHJVBQTASA-N 1 1 320.353 -1.558 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076767010 677755262 /nfs/dbraw/zinc/75/52/62/677755262.db2.gz MCNXEQKYJRKZBP-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076767010 677755265 /nfs/dbraw/zinc/75/52/65/677755265.db2.gz MCNXEQKYJRKZBP-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076770690 677755570 /nfs/dbraw/zinc/75/55/70/677755570.db2.gz CJRSQXRPRGCLMG-GHMZBOCLSA-N 1 1 308.342 -1.790 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001076770690 677755572 /nfs/dbraw/zinc/75/55/72/677755572.db2.gz CJRSQXRPRGCLMG-GHMZBOCLSA-N 1 1 308.342 -1.790 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n(C)n1 ZINC001076783757 677756670 /nfs/dbraw/zinc/75/66/70/677756670.db2.gz OJEJJYQILNPLIE-DGCLKSJQSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n(C)n1 ZINC001076783757 677756671 /nfs/dbraw/zinc/75/66/71/677756671.db2.gz OJEJJYQILNPLIE-DGCLKSJQSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CCOC1 ZINC001076794176 677757514 /nfs/dbraw/zinc/75/75/14/677757514.db2.gz UQPMETXZFPQBCU-QJPTWQEYSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@H]1CCOC1 ZINC001076794176 677757517 /nfs/dbraw/zinc/75/75/17/677757517.db2.gz UQPMETXZFPQBCU-QJPTWQEYSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCOC1 ZINC001076794333 677757882 /nfs/dbraw/zinc/75/78/82/677757882.db2.gz YJNJYFZUSCYEQZ-JHJVBQTASA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@@H]1CCOC1 ZINC001076794333 677757884 /nfs/dbraw/zinc/75/78/84/677757884.db2.gz YJNJYFZUSCYEQZ-JHJVBQTASA-N 1 1 311.382 -1.193 20 0 DAADMO CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001076805617 677758108 /nfs/dbraw/zinc/75/81/08/677758108.db2.gz OFLONWLVHPETQT-HZSPNIEDSA-N 1 1 324.425 -1.137 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cocn1 ZINC001076809906 677758230 /nfs/dbraw/zinc/75/82/30/677758230.db2.gz RKDUKJQPNYGHBM-DMDPSCGWSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1cocn1 ZINC001076809906 677758234 /nfs/dbraw/zinc/75/82/34/677758234.db2.gz RKDUKJQPNYGHBM-DMDPSCGWSA-N 1 1 321.337 -1.293 20 0 DAADMO CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001076805618 677758505 /nfs/dbraw/zinc/75/85/05/677758505.db2.gz OFLONWLVHPETQT-MGPQQGTHSA-N 1 1 324.425 -1.137 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076818059 677758834 /nfs/dbraw/zinc/75/88/34/677758834.db2.gz PXPVJEDLIJPLKJ-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076818059 677758836 /nfs/dbraw/zinc/75/88/36/677758836.db2.gz PXPVJEDLIJPLKJ-CHWSQXEVSA-N 1 1 319.369 -1.030 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001076812854 677759478 /nfs/dbraw/zinc/75/94/78/677759478.db2.gz WCQHYVNQSQOLQX-GMTAPVOTSA-N 1 1 309.374 -2.034 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812401 677759505 /nfs/dbraw/zinc/75/95/05/677759505.db2.gz GBUAODAYTLFTGJ-IJLUTSLNSA-N 1 1 308.386 -1.429 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001076812381 677759765 /nfs/dbraw/zinc/75/97/65/677759765.db2.gz FROZDSRGPPCSCT-FRRDWIJNSA-N 1 1 310.398 -1.480 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001076812382 677759927 /nfs/dbraw/zinc/75/99/27/677759927.db2.gz FROZDSRGPPCSCT-JHJVBQTASA-N 1 1 310.398 -1.480 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076821439 677760191 /nfs/dbraw/zinc/76/01/91/677760191.db2.gz LAZXIZUNONAPDY-VXGBXAGGSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076821439 677760197 /nfs/dbraw/zinc/76/01/97/677760197.db2.gz LAZXIZUNONAPDY-VXGBXAGGSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076821359 677760418 /nfs/dbraw/zinc/76/04/18/677760418.db2.gz HDYCANKMTRHPOX-VXGBXAGGSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076821359 677760422 /nfs/dbraw/zinc/76/04/22/677760422.db2.gz HDYCANKMTRHPOX-VXGBXAGGSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC=CC1 ZINC001076825635 677760561 /nfs/dbraw/zinc/76/05/61/677760561.db2.gz SIILXXHMYBMQHE-VXGBXAGGSA-N 1 1 322.365 -1.334 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1CC=CC1 ZINC001076825635 677760564 /nfs/dbraw/zinc/76/05/64/677760564.db2.gz SIILXXHMYBMQHE-VXGBXAGGSA-N 1 1 322.365 -1.334 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076834635 677761595 /nfs/dbraw/zinc/76/15/95/677761595.db2.gz ZHHDWGWQBHDJDH-MXWKQRLJSA-N 1 1 300.359 -2.776 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076834635 677761596 /nfs/dbraw/zinc/76/15/96/677761596.db2.gz ZHHDWGWQBHDJDH-MXWKQRLJSA-N 1 1 300.359 -2.776 20 0 DAADMO Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076836836 677761688 /nfs/dbraw/zinc/76/16/88/677761688.db2.gz BKLJPTFSDKRLIF-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1oncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076836836 677761691 /nfs/dbraw/zinc/76/16/91/677761691.db2.gz BKLJPTFSDKRLIF-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001076837166 677761763 /nfs/dbraw/zinc/76/17/63/677761763.db2.gz QSKBBDHAHQXMBQ-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001076837166 677761766 /nfs/dbraw/zinc/76/17/66/677761766.db2.gz QSKBBDHAHQXMBQ-UPJWGTAASA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076834105 677761770 /nfs/dbraw/zinc/76/17/70/677761770.db2.gz FASAGOLKXPVWOC-IJLUTSLNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076834105 677761771 /nfs/dbraw/zinc/76/17/71/677761771.db2.gz FASAGOLKXPVWOC-IJLUTSLNSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076834301 677761901 /nfs/dbraw/zinc/76/19/01/677761901.db2.gz LUGHAVOOPJUMME-UPJWGTAASA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076834301 677761904 /nfs/dbraw/zinc/76/19/04/677761904.db2.gz LUGHAVOOPJUMME-UPJWGTAASA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076836026 677761914 /nfs/dbraw/zinc/76/19/14/677761914.db2.gz UWJOGIUQJBGEDJ-MGPQQGTHSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076836026 677761918 /nfs/dbraw/zinc/76/19/18/677761918.db2.gz UWJOGIUQJBGEDJ-MGPQQGTHSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001076836025 677761943 /nfs/dbraw/zinc/76/19/43/677761943.db2.gz UWJOGIUQJBGEDJ-MCIONIFRSA-N 1 1 323.397 -1.588 20 0 DAADMO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001076836025 677761945 /nfs/dbraw/zinc/76/19/45/677761945.db2.gz UWJOGIUQJBGEDJ-MCIONIFRSA-N 1 1 323.397 -1.588 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001076842732 677762474 /nfs/dbraw/zinc/76/24/74/677762474.db2.gz YMMSOJMPBUUSOC-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001076842732 677762477 /nfs/dbraw/zinc/76/24/77/677762477.db2.gz YMMSOJMPBUUSOC-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555106 677762843 /nfs/dbraw/zinc/76/28/43/677762843.db2.gz MGLGMWPVCWVUJM-NEPJUHHUSA-N 1 1 318.337 -1.146 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076887318 677765079 /nfs/dbraw/zinc/76/50/79/677765079.db2.gz XUMZUWOZYIBAKM-IJLUTSLNSA-N 1 1 323.353 -1.607 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076887318 677765080 /nfs/dbraw/zinc/76/50/80/677765080.db2.gz XUMZUWOZYIBAKM-IJLUTSLNSA-N 1 1 323.353 -1.607 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)n1cncn1 ZINC001076905850 677767594 /nfs/dbraw/zinc/76/75/94/677767594.db2.gz CSUIDACRBLYSHK-YNEHKIRRSA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)n1cncn1 ZINC001076905850 677767599 /nfs/dbraw/zinc/76/75/99/677767599.db2.gz CSUIDACRBLYSHK-YNEHKIRRSA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)c1cncnc1 ZINC001076915450 677768974 /nfs/dbraw/zinc/76/89/74/677768974.db2.gz QJXNAVMSXVKGEG-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cncnc1 ZINC001076915450 677768978 /nfs/dbraw/zinc/76/89/78/677768978.db2.gz QJXNAVMSXVKGEG-VXGBXAGGSA-N 1 1 320.353 -1.723 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cc1=O ZINC001076930009 677770135 /nfs/dbraw/zinc/77/01/35/677770135.db2.gz KRZYREWIKJFGMG-NXEZZACHSA-N 1 1 322.325 -1.955 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cc1=O ZINC001076930009 677770137 /nfs/dbraw/zinc/77/01/37/677770137.db2.gz KRZYREWIKJFGMG-NXEZZACHSA-N 1 1 322.325 -1.955 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cnn1 ZINC001076930726 677770218 /nfs/dbraw/zinc/77/02/18/677770218.db2.gz GZJQVLIDZGQHKB-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cnn1 ZINC001076930726 677770220 /nfs/dbraw/zinc/77/02/20/677770220.db2.gz GZJQVLIDZGQHKB-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942276 677771621 /nfs/dbraw/zinc/77/16/21/677771621.db2.gz JVLDXXFMCXTLJK-OUAUKWLOSA-N 1 1 309.326 -1.847 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942276 677771623 /nfs/dbraw/zinc/77/16/23/677771623.db2.gz JVLDXXFMCXTLJK-OUAUKWLOSA-N 1 1 309.326 -1.847 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076942186 677771902 /nfs/dbraw/zinc/77/19/02/677771902.db2.gz HEISKGROHZWOFF-IJLUTSLNSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076942502 677771975 /nfs/dbraw/zinc/77/19/75/677771975.db2.gz QRKRVGDSLKGFIB-GRYCIOLGSA-N 1 1 313.354 -1.175 20 0 DAADMO C[C@@H](CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)NC(=O)C(N)=O ZINC001076953296 677772367 /nfs/dbraw/zinc/77/23/67/677772367.db2.gz USMFGVBKPYDAIQ-QWRGUYRKSA-N 1 1 324.385 -1.690 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076948441 677772552 /nfs/dbraw/zinc/77/25/52/677772552.db2.gz IWGVEURMDKLNRN-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076948441 677772556 /nfs/dbraw/zinc/77/25/56/677772556.db2.gz IWGVEURMDKLNRN-DGCLKSJQSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001076958278 677773350 /nfs/dbraw/zinc/77/33/50/677773350.db2.gz CRBHXSVBPHLUFY-GHMZBOCLSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001076958278 677773354 /nfs/dbraw/zinc/77/33/54/677773354.db2.gz CRBHXSVBPHLUFY-GHMZBOCLSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)nn1 ZINC001076960492 677774100 /nfs/dbraw/zinc/77/41/00/677774100.db2.gz GSPCVMWMFWSYHX-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)nn1 ZINC001076960492 677774104 /nfs/dbraw/zinc/77/41/04/677774104.db2.gz GSPCVMWMFWSYHX-ZYHUDNBSSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001076960715 677774134 /nfs/dbraw/zinc/77/41/34/677774134.db2.gz QLJPUXIXLFRQSX-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001076960715 677774137 /nfs/dbraw/zinc/77/41/37/677774137.db2.gz QLJPUXIXLFRQSX-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)[nH]1 ZINC001076978205 677774878 /nfs/dbraw/zinc/77/48/78/677774878.db2.gz FOXRJKWOQJLOEX-VXGBXAGGSA-N 1 1 319.369 -1.286 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971842 677775303 /nfs/dbraw/zinc/77/53/03/677775303.db2.gz VUNSBIKQEJOLDY-RKDXNWHRSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001076971842 677775305 /nfs/dbraw/zinc/77/53/05/677775305.db2.gz VUNSBIKQEJOLDY-RKDXNWHRSA-N 1 1 322.325 -2.264 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)[nH]1 ZINC001076978802 677775350 /nfs/dbraw/zinc/77/53/50/677775350.db2.gz YZBJBSOICRRTCC-IJLUTSLNSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001076978802 677775353 /nfs/dbraw/zinc/77/53/53/677775353.db2.gz YZBJBSOICRRTCC-IJLUTSLNSA-N 1 1 309.370 -1.147 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)n[nH]1 ZINC001076978802 677775354 /nfs/dbraw/zinc/77/53/54/677775354.db2.gz YZBJBSOICRRTCC-IJLUTSLNSA-N 1 1 309.370 -1.147 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001076990474 677776880 /nfs/dbraw/zinc/77/68/80/677776880.db2.gz DFJCZIAKJZWDFH-YUSALJHKSA-N 1 1 307.354 -1.056 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2O)nn1 ZINC001076985215 677777139 /nfs/dbraw/zinc/77/71/39/677777139.db2.gz YQAQLSKVELKTLV-ZYHUDNBSSA-N 1 1 313.358 -1.654 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)nn1 ZINC001076985215 677777142 /nfs/dbraw/zinc/77/71/42/677777142.db2.gz YQAQLSKVELKTLV-ZYHUDNBSSA-N 1 1 313.358 -1.654 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(=O)[nH]c1C ZINC001083559346 677777575 /nfs/dbraw/zinc/77/75/75/677777575.db2.gz HGYCOYOLHDXFLU-ONOSFVFSSA-N 1 1 310.354 -1.458 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H](O)C1 ZINC001083559380 677777636 /nfs/dbraw/zinc/77/76/36/677777636.db2.gz IYYXEAWRVFZGMZ-MNOVXSKESA-N 1 1 310.354 -1.192 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077003829 677778312 /nfs/dbraw/zinc/77/83/12/677778312.db2.gz AMONGCCILHFPLE-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077003829 677778318 /nfs/dbraw/zinc/77/83/18/677778318.db2.gz AMONGCCILHFPLE-GHMZBOCLSA-N 1 1 306.330 -2.269 20 0 DAADMO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1=O ZINC001077003190 677778552 /nfs/dbraw/zinc/77/85/52/677778552.db2.gz XYAMUSWWCQHNBX-NXEZZACHSA-N 1 1 313.354 -2.075 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077002743 677778592 /nfs/dbraw/zinc/77/85/92/677778592.db2.gz FPOIXWZTWMACHF-IJLUTSLNSA-N 1 1 310.358 -1.597 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001077003849 677778990 /nfs/dbraw/zinc/77/89/90/677778990.db2.gz BGQYTLJEHRFPIL-YNEHKIRRSA-N 1 1 324.385 -1.349 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001077026820 677779420 /nfs/dbraw/zinc/77/94/20/677779420.db2.gz MHFOSYDSAYMQOO-RKDXNWHRSA-N 1 1 312.330 -3.079 20 0 DAADMO CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)[nH]n1 ZINC001077027765 677779441 /nfs/dbraw/zinc/77/94/41/677779441.db2.gz PGXLJEIMBZNKIA-MGPQQGTHSA-N 1 1 323.397 -1.056 20 0 DAADMO CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)[nH]n1 ZINC001077027765 677779444 /nfs/dbraw/zinc/77/94/44/677779444.db2.gz PGXLJEIMBZNKIA-MGPQQGTHSA-N 1 1 323.397 -1.056 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026833 677779644 /nfs/dbraw/zinc/77/96/44/677779644.db2.gz MQEKJTUIVZUFAK-RKDXNWHRSA-N 1 1 312.330 -2.815 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026705 677779661 /nfs/dbraw/zinc/77/96/61/677779661.db2.gz GNCUHXCZJNISOY-NXEZZACHSA-N 1 1 310.358 -1.806 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026697 677779782 /nfs/dbraw/zinc/77/97/82/677779782.db2.gz GHBAKPSOHIHLMC-GMTAPVOTSA-N 1 1 324.385 -1.416 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077031486 677779970 /nfs/dbraw/zinc/77/99/70/677779970.db2.gz MGIZBNDFOXLFKT-VLXAULBPSA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077031486 677779973 /nfs/dbraw/zinc/77/99/73/677779973.db2.gz MGIZBNDFOXLFKT-VLXAULBPSA-N 1 1 323.393 -1.193 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001077038771 677780041 /nfs/dbraw/zinc/78/00/41/677780041.db2.gz JAZOUASHCYWHPW-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077063264 677780722 /nfs/dbraw/zinc/78/07/22/677780722.db2.gz FIQFFQQXWUGPPC-YNEHKIRRSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077063263 677780906 /nfs/dbraw/zinc/78/09/06/677780906.db2.gz FIQFFQQXWUGPPC-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056082 677780971 /nfs/dbraw/zinc/78/09/71/677780971.db2.gz FHSHDBPQJXQSOI-JMJZKYOTSA-N 1 1 306.326 -1.720 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077063388 677781565 /nfs/dbraw/zinc/78/15/65/677781565.db2.gz KKLKLOKLAZWRRY-GHMZBOCLSA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077063388 677781566 /nfs/dbraw/zinc/78/15/66/677781566.db2.gz KKLKLOKLAZWRRY-GHMZBOCLSA-N 1 1 323.357 -2.535 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cnc2cc[nH]cc-2c1=O ZINC001077067097 677781808 /nfs/dbraw/zinc/78/18/08/677781808.db2.gz LRUREOBLXDJAOU-CHWSQXEVSA-N 1 1 318.333 -1.310 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2cc[nH]cc-2c1=O ZINC001077067097 677781811 /nfs/dbraw/zinc/78/18/11/677781811.db2.gz LRUREOBLXDJAOU-CHWSQXEVSA-N 1 1 318.333 -1.310 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1=O ZINC001077084753 677781946 /nfs/dbraw/zinc/78/19/46/677781946.db2.gz YAEXPCXRSRLUEU-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1=O ZINC001077084753 677781950 /nfs/dbraw/zinc/78/19/50/677781950.db2.gz YAEXPCXRSRLUEU-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1=O ZINC001077084754 677782061 /nfs/dbraw/zinc/78/20/61/677782061.db2.gz YAEXPCXRSRLUEU-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1=O ZINC001077084754 677782063 /nfs/dbraw/zinc/78/20/63/677782063.db2.gz YAEXPCXRSRLUEU-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO CC(C)N1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1=O ZINC001077084298 677782190 /nfs/dbraw/zinc/78/21/90/677782190.db2.gz PAZHOJZILZYZEI-YNEHKIRRSA-N 1 1 313.398 -1.213 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001077093367 677782352 /nfs/dbraw/zinc/78/23/52/677782352.db2.gz KUGATNIWPKWHSC-VXGBXAGGSA-N 1 1 317.411 -1.407 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001077092407 677782386 /nfs/dbraw/zinc/78/23/86/677782386.db2.gz SFYVDQZMOYKUNQ-VXGBXAGGSA-N 1 1 324.381 -1.636 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001077091297 677782457 /nfs/dbraw/zinc/78/24/57/677782457.db2.gz UQSURAWISRYCPE-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093267 677782572 /nfs/dbraw/zinc/78/25/72/677782572.db2.gz FUGCXHKCNNXNFG-GHMZBOCLSA-N 1 1 321.399 -2.170 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093432 677782640 /nfs/dbraw/zinc/78/26/40/677782640.db2.gz OJENETXKGQCTKN-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093433 677782751 /nfs/dbraw/zinc/78/27/51/677782751.db2.gz OLBYZJUZVQOVEQ-GMTAPVOTSA-N 1 1 321.399 -2.436 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001077087207 677783056 /nfs/dbraw/zinc/78/30/56/677783056.db2.gz ABQHCHBTVFWUDX-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001077095975 677783295 /nfs/dbraw/zinc/78/32/95/677783295.db2.gz RYYCPHIMNITUSK-AVPPRXQKSA-N 1 1 306.326 -1.491 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cn(-c2cccnc2)nn1 ZINC001077102291 677783703 /nfs/dbraw/zinc/78/37/03/677783703.db2.gz KQTXSALJBRBQMB-DGCLKSJQSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cn(-c2cccnc2)nn1 ZINC001077102291 677783705 /nfs/dbraw/zinc/78/37/05/677783705.db2.gz KQTXSALJBRBQMB-DGCLKSJQSA-N 1 1 318.337 -1.571 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)nc2C1 ZINC001083563939 677783855 /nfs/dbraw/zinc/78/38/55/677783855.db2.gz JLLZQFDZOVVCLF-LOWVWBTDSA-N 1 1 324.381 -1.389 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)nc2C1 ZINC001083563939 677783857 /nfs/dbraw/zinc/78/38/57/677783857.db2.gz JLLZQFDZOVVCLF-LOWVWBTDSA-N 1 1 324.381 -1.389 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077126916 677785172 /nfs/dbraw/zinc/78/51/72/677785172.db2.gz UTPATRHMCKUAOH-YNEHKIRRSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077124965 677785206 /nfs/dbraw/zinc/78/52/06/677785206.db2.gz GBDRPJZPKRFOQH-CHWSQXEVSA-N 1 1 309.370 -1.301 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001077125642 677785227 /nfs/dbraw/zinc/78/52/27/677785227.db2.gz RNWGYZNWBWMBON-CHWSQXEVSA-N 1 1 309.370 -1.037 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001077125764 677785287 /nfs/dbraw/zinc/78/52/87/677785287.db2.gz WRKWOPLJVIDRAL-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)o1 ZINC001077125764 677785291 /nfs/dbraw/zinc/78/52/91/677785291.db2.gz WRKWOPLJVIDRAL-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140764 677785653 /nfs/dbraw/zinc/78/56/53/677785653.db2.gz DAOBHPQCHHAQFZ-QJPTWQEYSA-N 1 1 317.361 -1.245 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141127 677785756 /nfs/dbraw/zinc/78/57/56/677785756.db2.gz WIPXHVIHRBSZPJ-GHMZBOCLSA-N 1 1 301.343 -2.347 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001077144782 677787778 /nfs/dbraw/zinc/78/77/78/677787778.db2.gz YCZMXJUACPUEJP-WHGOUJPWSA-N 1 1 306.326 -1.491 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001077146800 677787859 /nfs/dbraw/zinc/78/78/59/677787859.db2.gz MXDCYXFRQFHFGL-UFGOTCBOSA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001077144781 677788154 /nfs/dbraw/zinc/78/81/54/677788154.db2.gz YCZMXJUACPUEJP-AVPPRXQKSA-N 1 1 306.326 -1.491 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077162041 677788707 /nfs/dbraw/zinc/78/87/07/677788707.db2.gz ABZRQNRXBYVXFO-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001077176163 677788769 /nfs/dbraw/zinc/78/87/69/677788769.db2.gz PXJOWETWCKXBSR-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCCNC1=O ZINC001077176163 677788773 /nfs/dbraw/zinc/78/87/73/677788773.db2.gz PXJOWETWCKXBSR-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077184090 677789755 /nfs/dbraw/zinc/78/97/55/677789755.db2.gz OLVPMSFVTQEPAC-YUSALJHKSA-N 1 1 308.338 -1.006 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199327 677790976 /nfs/dbraw/zinc/79/09/76/677790976.db2.gz JOMLGNIVLVIEBH-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199327 677790980 /nfs/dbraw/zinc/79/09/80/677790980.db2.gz JOMLGNIVLVIEBH-GHMZBOCLSA-N 1 1 319.325 -1.751 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199303 677791219 /nfs/dbraw/zinc/79/12/19/677791219.db2.gz HLQGBPGTLFHTNB-YUSALJHKSA-N 1 1 308.338 -1.006 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(=O)[nH]c1C ZINC001077210974 677791752 /nfs/dbraw/zinc/79/17/52/677791752.db2.gz ZVUDBVRHHKNBGI-GHMZBOCLSA-N 1 1 310.354 -1.456 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nc2C1 ZINC001077217911 677791770 /nfs/dbraw/zinc/79/17/70/677791770.db2.gz JLLZQFDZOVVCLF-DMDPSCGWSA-N 1 1 324.381 -1.389 20 0 DAADMO CO[C@H]1CCn2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nc2C1 ZINC001077217911 677791772 /nfs/dbraw/zinc/79/17/72/677791772.db2.gz JLLZQFDZOVVCLF-DMDPSCGWSA-N 1 1 324.381 -1.389 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237196 677792245 /nfs/dbraw/zinc/79/22/45/677792245.db2.gz BMNIXLPKQAVYDO-IJLUTSLNSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237195 677792325 /nfs/dbraw/zinc/79/23/25/677792325.db2.gz BMNIXLPKQAVYDO-GRYCIOLGSA-N 1 1 323.401 -1.644 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236924 677792400 /nfs/dbraw/zinc/79/24/00/677792400.db2.gz TYHLNHFBKUKZEF-FRRDWIJNSA-N 1 1 312.414 -1.280 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237236 677792582 /nfs/dbraw/zinc/79/25/82/677792582.db2.gz CUJKOKURLGTMJO-JHJVBQTASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001083569118 677793160 /nfs/dbraw/zinc/79/31/60/677793160.db2.gz DAJWPCKIIOYAKO-BIMULSAOSA-N 1 1 322.365 -1.735 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264306 677794600 /nfs/dbraw/zinc/79/46/00/677794600.db2.gz NWTYGGHOHOWATF-HBNTYKKESA-N 1 1 313.358 -2.222 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)c1=O ZINC001077264234 677794691 /nfs/dbraw/zinc/79/46/91/677794691.db2.gz KYBZZFSDEACPRV-VXGBXAGGSA-N 1 1 309.370 -1.457 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c1=O ZINC001077264198 677794837 /nfs/dbraw/zinc/79/48/37/677794837.db2.gz IOEMQRZLNLBKQL-NXEZZACHSA-N 1 1 301.322 -1.897 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001077266642 677795338 /nfs/dbraw/zinc/79/53/38/677795338.db2.gz BHRHHUAWIPUJDH-WHGOUJPWSA-N 1 1 321.337 -1.181 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cn[nH]n1 ZINC001077289568 677796983 /nfs/dbraw/zinc/79/69/83/677796983.db2.gz VTWNHUGJSPJIGV-YUSALJHKSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cnn[nH]1 ZINC001077289568 677796985 /nfs/dbraw/zinc/79/69/85/677796985.db2.gz VTWNHUGJSPJIGV-YUSALJHKSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cnn[nH]1 ZINC001077289568 677796987 /nfs/dbraw/zinc/79/69/87/677796987.db2.gz VTWNHUGJSPJIGV-YUSALJHKSA-N 1 1 322.369 -1.504 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297100 677797595 /nfs/dbraw/zinc/79/75/95/677797595.db2.gz UBDIXYDXBUFULO-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cn2cccnc2n1 ZINC001077298309 677797619 /nfs/dbraw/zinc/79/76/19/677797619.db2.gz ZCYVOUYNKMQHMX-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001077299045 677798167 /nfs/dbraw/zinc/79/81/67/677798167.db2.gz OMKJCLQJXOPPDQ-HTQZYQBOSA-N 1 1 303.340 -1.278 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001077299045 677798174 /nfs/dbraw/zinc/79/81/74/677798174.db2.gz OMKJCLQJXOPPDQ-HTQZYQBOSA-N 1 1 303.340 -1.278 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001077303139 677799017 /nfs/dbraw/zinc/79/90/17/677799017.db2.gz QBVCHLMHQTXMIR-GGZOMVNGSA-N 1 1 320.349 -1.268 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315591 677799291 /nfs/dbraw/zinc/79/92/91/677799291.db2.gz UPDPHRGEKGTQKU-IRUJWGPZSA-N 1 1 324.381 -1.066 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083571704 677799620 /nfs/dbraw/zinc/79/96/20/677799620.db2.gz IMJXHAFCOZDVCQ-MCIONIFRSA-N 1 1 322.413 -1.076 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315615 677799631 /nfs/dbraw/zinc/79/96/31/677799631.db2.gz VVZVJWSUBLTSTN-HLUHBDAQSA-N 1 1 310.354 -1.720 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001077315616 677799686 /nfs/dbraw/zinc/79/96/86/677799686.db2.gz VVZVJWSUBLTSTN-MKPLZMMCSA-N 1 1 310.354 -1.720 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573760 677801350 /nfs/dbraw/zinc/80/13/50/677801350.db2.gz UCWVOPJBCWRZAO-UPJWGTAASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001077365190 677801418 /nfs/dbraw/zinc/80/14/18/677801418.db2.gz APMOTTDMCDUBMF-YUSALJHKSA-N 1 1 310.354 -1.179 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cc2n(n1)CCCO2 ZINC001077365209 677801829 /nfs/dbraw/zinc/80/18/29/677801829.db2.gz CBAOOUKVRYLSET-VXGBXAGGSA-N 1 1 310.354 -1.177 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077379511 677802041 /nfs/dbraw/zinc/80/20/41/677802041.db2.gz OWTQDMPFDFPVNM-FBIMIBRVSA-N 1 1 306.326 -1.720 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392869 677803010 /nfs/dbraw/zinc/80/30/10/677803010.db2.gz VQFCLINCVMGLLC-GRYCIOLGSA-N 1 1 309.370 -1.383 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001077395018 677803112 /nfs/dbraw/zinc/80/31/12/677803112.db2.gz PFMFLDUPCNWVTD-GRYCIOLGSA-N 1 1 307.354 -1.759 20 0 DAADMO C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)NC(=O)C(N)=O ZINC001077394693 677803206 /nfs/dbraw/zinc/80/32/06/677803206.db2.gz ZDVJYKURNNHWGL-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1O ZINC001077394759 677803349 /nfs/dbraw/zinc/80/33/49/677803349.db2.gz BWDYWPKNUXBESI-FRRDWIJNSA-N 1 1 321.381 -1.369 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001077392463 677803397 /nfs/dbraw/zinc/80/33/97/677803397.db2.gz CMHSFXWZSVDQEC-JHJVBQTASA-N 1 1 323.397 -1.170 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394969 677803416 /nfs/dbraw/zinc/80/34/16/677803416.db2.gz MNKHWOQNFIBWST-QJPTWQEYSA-N 1 1 309.370 -1.513 20 0 DAADMO NC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399385 677803733 /nfs/dbraw/zinc/80/37/33/677803733.db2.gz HQFAWAIZDPSIKU-DGCLKSJQSA-N 1 1 321.381 -1.592 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001083577159 677804792 /nfs/dbraw/zinc/80/47/92/677804792.db2.gz HDCTZVCUXYFZOZ-OLZOCXBDSA-N 1 1 307.350 -1.057 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)CC1=O ZINC001083583202 677805175 /nfs/dbraw/zinc/80/51/75/677805175.db2.gz WXJYWPPBGGNPOE-KGLIPLIRSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1=O ZINC001083583072 677805253 /nfs/dbraw/zinc/80/52/53/677805253.db2.gz RNRZODKKINCYAL-NEPJUHHUSA-N 1 1 314.386 -2.696 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083582032 677805521 /nfs/dbraw/zinc/80/55/21/677805521.db2.gz UIXZYFCVSSWMHS-XWIASGKRSA-N 1 1 312.370 -1.278 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582824 677805716 /nfs/dbraw/zinc/80/57/16/677805716.db2.gz HIPAKEQTIWJAHB-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585740 677806327 /nfs/dbraw/zinc/80/63/27/677806327.db2.gz LJWIENBAAPNQPZ-UTUOFQBUSA-N 1 1 311.386 -1.211 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585792 677806408 /nfs/dbraw/zinc/80/64/08/677806408.db2.gz NUHSHQGHFCLMDG-MXWKQRLJSA-N 1 1 315.349 -1.509 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585792 677806410 /nfs/dbraw/zinc/80/64/10/677806410.db2.gz NUHSHQGHFCLMDG-MXWKQRLJSA-N 1 1 315.349 -1.509 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)no1 ZINC001083591017 677806911 /nfs/dbraw/zinc/80/69/11/677806911.db2.gz HDWBWHSEWNSUTE-MNOVXSKESA-N 1 1 311.342 -2.004 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 ZINC001083590660 677806999 /nfs/dbraw/zinc/80/69/99/677806999.db2.gz PTFVIIDGCPGYEU-WQAKAFBOSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(CN(C)C)on2)[C@@H](O)C1 ZINC001083590660 677807000 /nfs/dbraw/zinc/80/70/00/677807000.db2.gz PTFVIIDGCPGYEU-WQAKAFBOSA-N 1 1 312.370 -1.108 20 0 DAADMO Cn1ncnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038135026 677808291 /nfs/dbraw/zinc/80/82/91/677808291.db2.gz HHFXGQGBYNCRGQ-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038135026 677808292 /nfs/dbraw/zinc/80/82/92/677808292.db2.gz HHFXGQGBYNCRGQ-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601439 677809908 /nfs/dbraw/zinc/80/99/08/677809908.db2.gz VTTCXZJQAFXCJB-AXFHLTTASA-N 1 1 300.359 -2.056 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cn2cccnc2n1 ZINC001083602509 677809929 /nfs/dbraw/zinc/80/99/29/677809929.db2.gz ZCYVOUYNKMQHMX-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601385 677810097 /nfs/dbraw/zinc/81/00/97/677810097.db2.gz UBDIXYDXBUFULO-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 ZINC001083604060 677810194 /nfs/dbraw/zinc/81/01/94/677810194.db2.gz DCWXRVTZEBGANN-NEPJUHHUSA-N 1 1 320.349 -1.003 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 ZINC001083604060 677810199 /nfs/dbraw/zinc/81/01/99/677810199.db2.gz DCWXRVTZEBGANN-NEPJUHHUSA-N 1 1 320.349 -1.003 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H](O)C1 ZINC001083604303 677810386 /nfs/dbraw/zinc/81/03/86/677810386.db2.gz QBVCHLMHQTXMIR-AXTRIDKLSA-N 1 1 320.349 -1.268 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc2c(c1)NC(=O)CO2 ZINC001083608680 677811206 /nfs/dbraw/zinc/81/12/06/677811206.db2.gz JPEIEWMLJLWHGL-MNOVXSKESA-N 1 1 322.321 -1.820 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2c(c1)NC(=O)CO2 ZINC001083608680 677811209 /nfs/dbraw/zinc/81/12/09/677811209.db2.gz JPEIEWMLJLWHGL-MNOVXSKESA-N 1 1 322.321 -1.820 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083610146 677811357 /nfs/dbraw/zinc/81/13/57/677811357.db2.gz HDOWZUGHZRNIHT-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083610146 677811360 /nfs/dbraw/zinc/81/13/60/677811360.db2.gz HDOWZUGHZRNIHT-PWSUYJOCSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083610321 677811408 /nfs/dbraw/zinc/81/14/08/677811408.db2.gz OIMYYOBZYYBDRU-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083610321 677811413 /nfs/dbraw/zinc/81/14/13/677811413.db2.gz OIMYYOBZYYBDRU-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc3ncnn32)[C@@H](O)C1 ZINC001083610280 677811679 /nfs/dbraw/zinc/81/16/79/677811679.db2.gz MYSVPQYYDYJYAD-UMNHJUIQSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001083617986 677811977 /nfs/dbraw/zinc/81/19/77/677811977.db2.gz LQOULRWRYXUSES-TUAOUCFPSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001083617986 677811982 /nfs/dbraw/zinc/81/19/82/677811982.db2.gz LQOULRWRYXUSES-TUAOUCFPSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2sccn2c1=O ZINC001083618210 677812099 /nfs/dbraw/zinc/81/20/99/677812099.db2.gz VHECMJIVPTXOCF-ZJUUUORDSA-N 1 1 324.362 -1.477 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c2ncccc12 ZINC001077429551 677812456 /nfs/dbraw/zinc/81/24/56/677812456.db2.gz XEOJOYLNWGDFPB-CHWSQXEVSA-N 1 1 319.365 -1.107 20 0 DAADMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001083623230 677812605 /nfs/dbraw/zinc/81/26/05/677812605.db2.gz YTNIBUOFWKTXEC-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001083623230 677812609 /nfs/dbraw/zinc/81/26/09/677812609.db2.gz YTNIBUOFWKTXEC-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083619814 677812696 /nfs/dbraw/zinc/81/26/96/677812696.db2.gz HOZRSUJULJMVNO-UTUOFQBUSA-N 1 1 314.386 -1.679 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639525 677814205 /nfs/dbraw/zinc/81/42/05/677814205.db2.gz UIRCXOLPFTXSAD-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CNC(=O)C1 ZINC001077435546 677814345 /nfs/dbraw/zinc/81/43/45/677814345.db2.gz QYMFVAZXBCSUMJ-GYSYKLTISA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CNC(=O)C1 ZINC001077435546 677814347 /nfs/dbraw/zinc/81/43/47/677814347.db2.gz QYMFVAZXBCSUMJ-GYSYKLTISA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2nnnn2c1 ZINC001083639536 677814428 /nfs/dbraw/zinc/81/44/28/677814428.db2.gz UTVLCRYZRRDZBX-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CNC(=O)C1 ZINC001077435854 677814567 /nfs/dbraw/zinc/81/45/67/677814567.db2.gz YLPZGLZSQMKJPL-JMSVASOKSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)CNC(=O)C1 ZINC001077435854 677814572 /nfs/dbraw/zinc/81/45/72/677814572.db2.gz YLPZGLZSQMKJPL-JMSVASOKSA-N 1 1 321.381 -1.429 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cc1=O ZINC001083643427 677814872 /nfs/dbraw/zinc/81/48/72/677814872.db2.gz IOIQWJPVHRDJRR-UISBYWKRSA-N 1 1 311.338 -1.461 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)cc1=O ZINC001083643427 677814866 /nfs/dbraw/zinc/81/48/66/677814866.db2.gz IOIQWJPVHRDJRR-UISBYWKRSA-N 1 1 311.338 -1.461 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CNOC1)C[NH+]1CCOCC1 ZINC000911136643 677815583 /nfs/dbraw/zinc/81/55/83/677815583.db2.gz BCFOMOYBNKXTJV-WDEREUQCSA-N 1 1 300.359 -1.910 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647533 677815741 /nfs/dbraw/zinc/81/57/41/677815741.db2.gz HQFAWAIZDPSIKU-YPMHNXCESA-N 1 1 321.381 -1.592 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1nnc2ccccc2n1 ZINC001083645902 677815879 /nfs/dbraw/zinc/81/58/79/677815879.db2.gz AMZLKVAMSJKPKY-NEPJUHHUSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nnc2ccccc2n1 ZINC001083645902 677815883 /nfs/dbraw/zinc/81/58/83/677815883.db2.gz AMZLKVAMSJKPKY-NEPJUHHUSA-N 1 1 303.322 -1.208 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644929 677816055 /nfs/dbraw/zinc/81/60/55/677816055.db2.gz CMHSFXWZSVDQEC-UPJWGTAASA-N 1 1 323.397 -1.170 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2nncn2CC1 ZINC001083652839 677817175 /nfs/dbraw/zinc/81/71/75/677817175.db2.gz JHJLORKLENWXSC-UPJWGTAASA-N 1 1 323.397 -1.226 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1)OC ZINC001083653401 677817644 /nfs/dbraw/zinc/81/76/44/677817644.db2.gz KKXKKEYFFNBGQJ-WZRBSPASSA-N 1 1 324.381 -1.020 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001083664761 677820138 /nfs/dbraw/zinc/82/01/38/677820138.db2.gz ZSBKUORSHMYSFL-TUAOUCFPSA-N 1 1 307.354 -1.065 20 0 DAADMO CN1C[C@@H](O)C[C@]1(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992917 677821016 /nfs/dbraw/zinc/82/10/16/677821016.db2.gz OIPQWUVENOYSGS-SLEUVZQESA-N 1 1 312.414 -1.103 20 0 DAADMO CN1C[C@@H](O)C[C@]1(C)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000912992917 677821019 /nfs/dbraw/zinc/82/10/19/677821019.db2.gz OIPQWUVENOYSGS-SLEUVZQESA-N 1 1 312.414 -1.103 20 0 DAADMO COCCOCCN(CCO)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912994794 677821168 /nfs/dbraw/zinc/82/11/68/677821168.db2.gz UUPDKAUXVWLJDF-UHFFFAOYSA-N 1 1 317.430 -1.036 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC000913009563 677821305 /nfs/dbraw/zinc/82/13/05/677821305.db2.gz NQTSUQUJMYTTPQ-LBPRGKRZSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCC12OCCO2 ZINC000913181680 677822352 /nfs/dbraw/zinc/82/23/52/677822352.db2.gz OSTRYBYGAYYIEG-DGCLKSJQSA-N 1 1 300.355 -1.003 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)C[C@@H]1CO ZINC000913542641 677824657 /nfs/dbraw/zinc/82/46/57/677824657.db2.gz OCLXYNJKDMWJPD-SNVBAGLBSA-N 1 1 314.411 -1.382 20 0 DAADMO C[N@H+]1CCN(C(=O)CCN2C(=O)CCNC2=S)C[C@@H]1CO ZINC000913542641 677824659 /nfs/dbraw/zinc/82/46/59/677824659.db2.gz OCLXYNJKDMWJPD-SNVBAGLBSA-N 1 1 314.411 -1.382 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)Cn2nnnc2N1C ZINC000913543639 677824787 /nfs/dbraw/zinc/82/47/87/677824787.db2.gz MWQVHAPHIUWDDL-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)Cn2nnnc2N1C ZINC000913543639 677824789 /nfs/dbraw/zinc/82/47/89/677824789.db2.gz MWQVHAPHIUWDDL-SNVBAGLBSA-N 1 1 307.358 -1.468 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551493 677825303 /nfs/dbraw/zinc/82/53/03/677825303.db2.gz RLNYCODXPPFIIW-LBPRGKRZSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551493 677825306 /nfs/dbraw/zinc/82/53/06/677825306.db2.gz RLNYCODXPPFIIW-LBPRGKRZSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551492 677825637 /nfs/dbraw/zinc/82/56/37/677825637.db2.gz RLNYCODXPPFIIW-GFCCVEGCSA-N 1 1 300.403 -1.422 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551492 677825641 /nfs/dbraw/zinc/82/56/41/677825641.db2.gz RLNYCODXPPFIIW-GFCCVEGCSA-N 1 1 300.403 -1.422 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270975 677827112 /nfs/dbraw/zinc/82/71/12/677827112.db2.gz DPCHPKQOQNIUON-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC001060270975 677827116 /nfs/dbraw/zinc/82/71/16/677827116.db2.gz DPCHPKQOQNIUON-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)c([C@H]2CCOC2)n1 ZINC001077457681 677830011 /nfs/dbraw/zinc/83/00/11/677830011.db2.gz YLAIVKODCUHZCY-CYZMBNFOSA-N 1 1 324.381 -1.309 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c([C@H]2CCOC2)n1 ZINC001077457681 677830012 /nfs/dbraw/zinc/83/00/12/677830012.db2.gz YLAIVKODCUHZCY-CYZMBNFOSA-N 1 1 324.381 -1.309 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077484304 677831529 /nfs/dbraw/zinc/83/15/29/677831529.db2.gz VQUORLRQCAMQHL-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077484304 677831532 /nfs/dbraw/zinc/83/15/32/677831532.db2.gz VQUORLRQCAMQHL-VXGBXAGGSA-N 1 1 322.369 -1.482 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001077481348 677831546 /nfs/dbraw/zinc/83/15/46/677831546.db2.gz MMDLQDOMRWATJI-NXEZZACHSA-N 1 1 320.357 -1.121 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001046007038 677831862 /nfs/dbraw/zinc/83/18/62/677831862.db2.gz AFBQQPUHRFOQHG-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001046000237 677831977 /nfs/dbraw/zinc/83/19/77/677831977.db2.gz NZCMQRNVGQYYES-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001046000237 677831980 /nfs/dbraw/zinc/83/19/80/677831980.db2.gz NZCMQRNVGQYYES-CHWSQXEVSA-N 1 1 310.398 -1.131 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001046007040 677831997 /nfs/dbraw/zinc/83/19/97/677831997.db2.gz AFBQQPUHRFOQHG-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c1=O ZINC001077498395 677832643 /nfs/dbraw/zinc/83/26/43/677832643.db2.gz HOQIXYIOGKPQCF-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO O=C(Cn1ncnn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046030299 677832800 /nfs/dbraw/zinc/83/28/00/677832800.db2.gz OAIYDYBNYQQECB-LBPRGKRZSA-N 1 1 309.374 -2.116 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077502695 677833182 /nfs/dbraw/zinc/83/31/82/677833182.db2.gz DSEMHRVAWJNBRJ-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501637 677833417 /nfs/dbraw/zinc/83/34/17/677833417.db2.gz GNKWGEVIEYOARK-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077501637 677833419 /nfs/dbraw/zinc/83/34/19/677833419.db2.gz GNKWGEVIEYOARK-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cnco1 ZINC001083681990 677833732 /nfs/dbraw/zinc/83/37/32/677833732.db2.gz DIDYHWYGNMOKJM-TUAOUCFPSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cnco1 ZINC001083681990 677833733 /nfs/dbraw/zinc/83/37/33/677833733.db2.gz DIDYHWYGNMOKJM-TUAOUCFPSA-N 1 1 321.337 -1.293 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507967 677833784 /nfs/dbraw/zinc/83/37/84/677833784.db2.gz FTQMKLUGCWBSIV-GMTAPVOTSA-N 1 1 300.359 -3.040 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1(n2cnnn2)CCCCC1 ZINC001077507096 677833818 /nfs/dbraw/zinc/83/38/18/677833818.db2.gz VLYHSBQQNSVFDU-VXGBXAGGSA-N 1 1 324.385 -1.514 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1(n2cnnn2)CCCCC1 ZINC001077507096 677833822 /nfs/dbraw/zinc/83/38/22/677833822.db2.gz VLYHSBQQNSVFDU-VXGBXAGGSA-N 1 1 324.385 -1.514 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](O)C1 ZINC001083683956 677834605 /nfs/dbraw/zinc/83/46/05/677834605.db2.gz YOOMTKDYPVWINJ-MNOVXSKESA-N 1 1 305.338 -1.323 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)NC1=O ZINC001077510551 677834665 /nfs/dbraw/zinc/83/46/65/677834665.db2.gz ZNFQOLBCDVPZKQ-GRYCIOLGSA-N 1 1 322.369 -1.932 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)NC1=O ZINC001077510551 677834668 /nfs/dbraw/zinc/83/46/68/677834668.db2.gz ZNFQOLBCDVPZKQ-GRYCIOLGSA-N 1 1 322.369 -1.932 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077508044 677834728 /nfs/dbraw/zinc/83/47/28/677834728.db2.gz JQAANCVJGXWAJF-GHMZBOCLSA-N 1 1 302.350 -2.061 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077512509 677835848 /nfs/dbraw/zinc/83/58/48/677835848.db2.gz GUEVYXWASWARKT-YNEHKIRRSA-N 1 1 311.382 -1.147 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077515672 677836364 /nfs/dbraw/zinc/83/63/64/677836364.db2.gz HSRXACBMSRONLJ-DDHJBXDOSA-N 1 1 324.381 -1.254 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC001083689388 677836396 /nfs/dbraw/zinc/83/63/96/677836396.db2.gz RLFFFXUUWIXMQM-MNOVXSKESA-N 1 1 310.354 -1.836 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077515646 677836491 /nfs/dbraw/zinc/83/64/91/677836491.db2.gz GPJSUDSICLLGRH-GWOFURMSSA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077515646 677836494 /nfs/dbraw/zinc/83/64/94/677836494.db2.gz GPJSUDSICLLGRH-GWOFURMSSA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697083 677837463 /nfs/dbraw/zinc/83/74/63/677837463.db2.gz FTQMKLUGCWBSIV-MXWKQRLJSA-N 1 1 300.359 -3.040 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697202 677837672 /nfs/dbraw/zinc/83/76/72/677837672.db2.gz LPOLCHGRWVRFRR-MNOVXSKESA-N 1 1 300.359 -2.774 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695623 677837810 /nfs/dbraw/zinc/83/78/10/677837810.db2.gz KRLPHKQKTVMEPO-IEBDPFPHSA-N 1 1 306.326 -1.720 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083696998 677837960 /nfs/dbraw/zinc/83/79/60/677837960.db2.gz AEIQRIRFIAACLR-TUAOUCFPSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697322 677838009 /nfs/dbraw/zinc/83/80/09/677838009.db2.gz RAPTVPMJURDSNO-XQQFMLRXSA-N 1 1 312.414 -1.374 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697405 677838198 /nfs/dbraw/zinc/83/81/98/677838198.db2.gz WQNXBIARHJETFQ-UTUOFQBUSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697405 677838201 /nfs/dbraw/zinc/83/82/01/677838201.db2.gz WQNXBIARHJETFQ-UTUOFQBUSA-N 1 1 316.377 -1.672 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083697809 677838219 /nfs/dbraw/zinc/83/82/19/677838219.db2.gz NDRNHGTXQLHBHR-UPJWGTAASA-N 1 1 321.381 -1.474 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083697809 677838222 /nfs/dbraw/zinc/83/82/22/677838222.db2.gz NDRNHGTXQLHBHR-UPJWGTAASA-N 1 1 321.381 -1.474 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697404 677838562 /nfs/dbraw/zinc/83/85/62/677838562.db2.gz WQNXBIARHJETFQ-TUAOUCFPSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697404 677838563 /nfs/dbraw/zinc/83/85/63/677838563.db2.gz WQNXBIARHJETFQ-TUAOUCFPSA-N 1 1 316.377 -1.672 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083699245 677838882 /nfs/dbraw/zinc/83/88/82/677838882.db2.gz QARMNATXJKHPMO-MXWKQRLJSA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083699245 677838883 /nfs/dbraw/zinc/83/88/83/677838883.db2.gz QARMNATXJKHPMO-MXWKQRLJSA-N 1 1 308.342 -2.425 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083699588 677838890 /nfs/dbraw/zinc/83/88/90/677838890.db2.gz FHQVCBMIZVYDGO-FOGDFJRCSA-N 1 1 310.354 -1.063 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698349 677838906 /nfs/dbraw/zinc/83/89/06/677838906.db2.gz GUEVYXWASWARKT-XQQFMLRXSA-N 1 1 311.382 -1.147 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083699173 677839000 /nfs/dbraw/zinc/83/90/00/677839000.db2.gz NNGKZDXXVGABAE-UTUOFQBUSA-N 1 1 324.381 -2.094 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083699173 677839004 /nfs/dbraw/zinc/83/90/04/677839004.db2.gz NNGKZDXXVGABAE-UTUOFQBUSA-N 1 1 324.381 -2.094 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083698819 677839119 /nfs/dbraw/zinc/83/91/19/677839119.db2.gz YISBJQMZKSRNCK-XQQFMLRXSA-N 1 1 321.381 -1.740 20 0 DAADMO Cn1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)c[nH]c1=O ZINC001083700025 677839425 /nfs/dbraw/zinc/83/94/25/677839425.db2.gz YOKTUGOQJWLJBH-PWSUYJOCSA-N 1 1 320.353 -1.203 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083701907 677840251 /nfs/dbraw/zinc/84/02/51/677840251.db2.gz GPJSUDSICLLGRH-DBIOUOCHSA-N 1 1 310.354 -1.645 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083701907 677840252 /nfs/dbraw/zinc/84/02/52/677840252.db2.gz GPJSUDSICLLGRH-DBIOUOCHSA-N 1 1 310.354 -1.645 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083705971 677840886 /nfs/dbraw/zinc/84/08/86/677840886.db2.gz FMSXMSFRAORETJ-UTUOFQBUSA-N 1 1 324.385 -1.056 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083706131 677841183 /nfs/dbraw/zinc/84/11/83/677841183.db2.gz MNLHMGIGQPFDIE-MXWKQRLJSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083706131 677841186 /nfs/dbraw/zinc/84/11/86/677841186.db2.gz MNLHMGIGQPFDIE-MXWKQRLJSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083706130 677841297 /nfs/dbraw/zinc/84/12/97/677841297.db2.gz MNLHMGIGQPFDIE-AXFHLTTASA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)n1 ZINC001083706130 677841299 /nfs/dbraw/zinc/84/12/99/677841299.db2.gz MNLHMGIGQPFDIE-AXFHLTTASA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)n1 ZINC001083706352 677841590 /nfs/dbraw/zinc/84/15/90/677841590.db2.gz XBLRITVIAFQNKB-AXFHLTTASA-N 1 1 310.358 -1.588 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)n1 ZINC001083706235 677841649 /nfs/dbraw/zinc/84/16/49/677841649.db2.gz QZTYLCRWGQGCMC-AXFHLTTASA-N 1 1 310.358 -1.446 20 0 DAADMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC001077526519 677843872 /nfs/dbraw/zinc/84/38/72/677843872.db2.gz NEIILZITUOXDPU-KIDURHIOSA-N 1 1 324.385 -1.200 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1=O ZINC001083720271 677846984 /nfs/dbraw/zinc/84/69/84/677846984.db2.gz UAMCVDQSSBDKGO-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)C1=O ZINC001083720271 677846988 /nfs/dbraw/zinc/84/69/88/677846988.db2.gz UAMCVDQSSBDKGO-UPJWGTAASA-N 1 1 322.365 -1.001 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1=O ZINC001077534883 677848987 /nfs/dbraw/zinc/84/89/87/677848987.db2.gz NAFDVYQAMQQBJA-JHJVBQTASA-N 1 1 321.381 -1.477 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077535319 677849031 /nfs/dbraw/zinc/84/90/31/677849031.db2.gz XBEDHOSLGWZHRS-OKWIKPQFSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077535319 677849035 /nfs/dbraw/zinc/84/90/35/677849035.db2.gz XBEDHOSLGWZHRS-OKWIKPQFSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001083730794 677850131 /nfs/dbraw/zinc/85/01/31/677850131.db2.gz RKMQDOCHIWWAIZ-ZJUUUORDSA-N 1 1 307.310 -1.569 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001083730794 677850136 /nfs/dbraw/zinc/85/01/36/677850136.db2.gz RKMQDOCHIWWAIZ-ZJUUUORDSA-N 1 1 307.310 -1.569 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001083731816 677850193 /nfs/dbraw/zinc/85/01/93/677850193.db2.gz PKVGSKDTEQPUNS-IEBDPFPHSA-N 1 1 311.338 -1.537 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@@H](O)C1 ZINC001083731815 677850248 /nfs/dbraw/zinc/85/02/48/677850248.db2.gz PKVGSKDTEQPUNS-GDPRMGEGSA-N 1 1 311.338 -1.537 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001083730608 677850309 /nfs/dbraw/zinc/85/03/09/677850309.db2.gz JCHQAZZBZIKMEJ-MNOVXSKESA-N 1 1 321.337 -1.179 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 ZINC001083731807 677850328 /nfs/dbraw/zinc/85/03/28/677850328.db2.gz PCIUZHPJKBFGRA-GDPRMGEGSA-N 1 1 320.353 -1.481 20 0 DAADMO Cn1ncc2c1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001083729437 677850557 /nfs/dbraw/zinc/85/05/57/677850557.db2.gz UXTHPBYZPPGFRV-QKCSRTOESA-N 1 1 308.382 -1.321 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)CC2 ZINC001083730649 677850585 /nfs/dbraw/zinc/85/05/85/677850585.db2.gz LAMUZTHHPZVBAZ-QKCSRTOESA-N 1 1 323.397 -1.536 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083731884 677850651 /nfs/dbraw/zinc/85/06/51/677850651.db2.gz SAGICCDGWWBHCQ-MNOVXSKESA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083735037 677851705 /nfs/dbraw/zinc/85/17/05/677851705.db2.gz IIZWVBLYCHDULV-WCQGTBRESA-N 1 1 308.338 -1.419 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083735036 677851712 /nfs/dbraw/zinc/85/17/12/677851712.db2.gz IIZWVBLYCHDULV-JLLWLGSASA-N 1 1 308.338 -1.419 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734839 677852055 /nfs/dbraw/zinc/85/20/55/677852055.db2.gz YGRKJXZRCFXEKY-NEPJUHHUSA-N 1 1 318.337 -1.559 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734839 677852058 /nfs/dbraw/zinc/85/20/58/677852058.db2.gz YGRKJXZRCFXEKY-NEPJUHHUSA-N 1 1 318.337 -1.559 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740570 677852336 /nfs/dbraw/zinc/85/23/36/677852336.db2.gz HQXCTEVPERQJPM-UTUOFQBUSA-N 1 1 322.369 -2.195 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740464 677852426 /nfs/dbraw/zinc/85/24/26/677852426.db2.gz DYVWAPUAHCBMBQ-UTUOFQBUSA-N 1 1 312.370 -1.602 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741387 677852989 /nfs/dbraw/zinc/85/29/89/677852989.db2.gz GNTBGCIZGIKRGN-UHTWSYAYSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741387 677852992 /nfs/dbraw/zinc/85/29/92/677852992.db2.gz GNTBGCIZGIKRGN-UHTWSYAYSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741957 677853695 /nfs/dbraw/zinc/85/36/95/677853695.db2.gz YHRJHECZWRIEJG-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741957 677853696 /nfs/dbraw/zinc/85/36/96/677853696.db2.gz YHRJHECZWRIEJG-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)c1 ZINC001083741969 677853927 /nfs/dbraw/zinc/85/39/27/677853927.db2.gz YRZJUXOWEZKCMR-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)[C@@H](O)C2)c1 ZINC001083741969 677853931 /nfs/dbraw/zinc/85/39/31/677853931.db2.gz YRZJUXOWEZKCMR-UPJWGTAASA-N 1 1 319.365 -1.267 20 0 DAADMO CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744607 677855208 /nfs/dbraw/zinc/85/52/08/677855208.db2.gz UNVWHPCYEGRULU-MCIONIFRSA-N 1 1 321.377 -1.071 20 0 DAADMO CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1 ZINC001083744607 677855209 /nfs/dbraw/zinc/85/52/09/677855209.db2.gz UNVWHPCYEGRULU-MCIONIFRSA-N 1 1 321.377 -1.071 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077557278 677858116 /nfs/dbraw/zinc/85/81/16/677858116.db2.gz YEWPYYOJLMAZRC-VXGBXAGGSA-N 1 1 306.326 -1.330 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077557278 677858118 /nfs/dbraw/zinc/85/81/18/677858118.db2.gz YEWPYYOJLMAZRC-VXGBXAGGSA-N 1 1 306.326 -1.330 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047271560 677858622 /nfs/dbraw/zinc/85/86/22/677858622.db2.gz OFDAVKQJBHBIQU-IUCAKERBSA-N 1 1 306.313 -1.220 20 0 DAADMO CN(C(=O)C(F)F)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047271560 677858623 /nfs/dbraw/zinc/85/86/23/677858623.db2.gz OFDAVKQJBHBIQU-IUCAKERBSA-N 1 1 306.313 -1.220 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077565686 677858880 /nfs/dbraw/zinc/85/88/80/677858880.db2.gz UCGOPAFRKOUINM-WUHRBBMRSA-N 1 1 312.414 -1.376 20 0 DAADMO Cn1cnc2c1nccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083770002 677860227 /nfs/dbraw/zinc/86/02/27/677860227.db2.gz PTEDDJNHXTYVDR-MNOVXSKESA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1cnc2c1nccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083770002 677860230 /nfs/dbraw/zinc/86/02/30/677860230.db2.gz PTEDDJNHXTYVDR-MNOVXSKESA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1ncc2c1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001077572933 677860411 /nfs/dbraw/zinc/86/04/11/677860411.db2.gz UXTHPBYZPPGFRV-ZKYQVNSYSA-N 1 1 308.382 -1.321 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CCNC1=O ZINC001083774317 677860896 /nfs/dbraw/zinc/86/08/96/677860896.db2.gz BPQGDYFWIRFJDK-XUJVJEKNSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CCNC1=O ZINC001083774317 677860899 /nfs/dbraw/zinc/86/08/99/677860899.db2.gz BPQGDYFWIRFJDK-XUJVJEKNSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CCNC1=O ZINC001083774316 677861210 /nfs/dbraw/zinc/86/12/10/677861210.db2.gz BPQGDYFWIRFJDK-TYNCELHUSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CCNC1=O ZINC001083774316 677861214 /nfs/dbraw/zinc/86/12/14/677861214.db2.gz BPQGDYFWIRFJDK-TYNCELHUSA-N 1 1 321.381 -1.429 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776071 677861745 /nfs/dbraw/zinc/86/17/45/677861745.db2.gz YSKVSGJRVGNLSA-VPOLOUISSA-N 1 1 301.343 -2.173 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776071 677861746 /nfs/dbraw/zinc/86/17/46/677861746.db2.gz YSKVSGJRVGNLSA-VPOLOUISSA-N 1 1 301.343 -2.173 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)O1 ZINC001083775716 677861805 /nfs/dbraw/zinc/86/18/05/677861805.db2.gz FOSIMERXSVDMFI-MROQNXINSA-N 1 1 311.382 -1.019 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001077576509 677861896 /nfs/dbraw/zinc/86/18/96/677861896.db2.gz QRRBWGNAWRCKJA-WHGOUJPWSA-N 1 1 321.337 -1.181 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCNC1=O ZINC001083775192 677862003 /nfs/dbraw/zinc/86/20/03/677862003.db2.gz MQRFCJXZWXOPRW-SUNKGSAMSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCNC1=O ZINC001083775192 677862007 /nfs/dbraw/zinc/86/20/07/677862007.db2.gz MQRFCJXZWXOPRW-SUNKGSAMSA-N 1 1 322.369 -2.034 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047486245 677862022 /nfs/dbraw/zinc/86/20/22/677862022.db2.gz GPXNQORFDQHBDT-VWYCJHECSA-N 1 1 302.350 -1.127 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001083778526 677862286 /nfs/dbraw/zinc/86/22/86/677862286.db2.gz PIAVAAOLJUAHML-YUTCNCBUSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001083778204 677862413 /nfs/dbraw/zinc/86/24/13/677862413.db2.gz FGDIRKWXVVYCDU-XQQFMLRXSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083778119 677862423 /nfs/dbraw/zinc/86/24/23/677862423.db2.gz BLMCMQSPKIWUQD-YUTCNCBUSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001083778399 677862776 /nfs/dbraw/zinc/86/27/76/677862776.db2.gz LJXKDVCQTBZQAQ-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001077576703 677862838 /nfs/dbraw/zinc/86/28/38/677862838.db2.gz ZCUINPNKHUXSMN-MPKXVKKWSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001083780966 677863159 /nfs/dbraw/zinc/86/31/59/677863159.db2.gz QBPIWGCTLYFYEQ-UPJWGTAASA-N 1 1 312.414 -1.422 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083780982 677863467 /nfs/dbraw/zinc/86/34/67/677863467.db2.gz QIGBBTLTFVGKGM-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001047510315 677863515 /nfs/dbraw/zinc/86/35/15/677863515.db2.gz LMSOWGGWNACOGZ-DCAQKATOSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047631988 677865145 /nfs/dbraw/zinc/86/51/45/677865145.db2.gz UBTHJPFUDKTNNP-VWYCJHECSA-N 1 1 323.390 -1.459 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083783338 677865284 /nfs/dbraw/zinc/86/52/84/677865284.db2.gz MBEBVEFKZYIXBQ-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083783472 677865565 /nfs/dbraw/zinc/86/55/65/677865565.db2.gz UMGFMVCWUDUCIQ-KXNHARMFSA-N 1 1 307.354 -1.834 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083783472 677865570 /nfs/dbraw/zinc/86/55/70/677865570.db2.gz UMGFMVCWUDUCIQ-KXNHARMFSA-N 1 1 307.354 -1.834 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077587436 677865644 /nfs/dbraw/zinc/86/56/44/677865644.db2.gz IFKWZOLXBZLRFX-CYZMBNFOSA-N 1 1 322.365 -1.029 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083783517 677865672 /nfs/dbraw/zinc/86/56/72/677865672.db2.gz WWVBAKOMFFIOOS-KXNHARMFSA-N 1 1 324.406 -1.032 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083783517 677865675 /nfs/dbraw/zinc/86/56/75/677865675.db2.gz WWVBAKOMFFIOOS-KXNHARMFSA-N 1 1 324.406 -1.032 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077586287 677865727 /nfs/dbraw/zinc/86/57/27/677865727.db2.gz PDRCHBJIAPDWEZ-CHWSQXEVSA-N 1 1 322.365 -1.029 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N(C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047640571 677865786 /nfs/dbraw/zinc/86/57/86/677865786.db2.gz TXUHTAIBUBYXMA-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077598806 677866353 /nfs/dbraw/zinc/86/63/53/677866353.db2.gz DYVWAPUAHCBMBQ-QJPTWQEYSA-N 1 1 312.370 -1.602 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077598906 677866478 /nfs/dbraw/zinc/86/64/78/677866478.db2.gz HQXCTEVPERQJPM-QJPTWQEYSA-N 1 1 322.369 -2.195 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077600260 677867707 /nfs/dbraw/zinc/86/77/07/677867707.db2.gz DXRGUESYPMGIOL-QJPTWQEYSA-N 1 1 312.370 -1.744 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001077606839 677868956 /nfs/dbraw/zinc/86/89/56/677868956.db2.gz GRYAOHKKOYQKOB-CHWSQXEVSA-N 1 1 319.361 -1.189 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001077606839 677868960 /nfs/dbraw/zinc/86/89/60/677868960.db2.gz GRYAOHKKOYQKOB-CHWSQXEVSA-N 1 1 319.361 -1.189 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCC(=O)N1 ZINC001077632513 677870549 /nfs/dbraw/zinc/87/05/49/677870549.db2.gz FRGPFNDDPMELKX-GYSYKLTISA-N 1 1 322.369 -1.892 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCC(=O)N1 ZINC001077632513 677870552 /nfs/dbraw/zinc/87/05/52/677870552.db2.gz FRGPFNDDPMELKX-GYSYKLTISA-N 1 1 322.369 -1.892 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083784745 677870893 /nfs/dbraw/zinc/87/08/93/677870893.db2.gz MHTWSXRYTSIZJA-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077677146 677872867 /nfs/dbraw/zinc/87/28/67/677872867.db2.gz ZQVHYQYZSJIQGK-MRVWCRGKSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)C1 ZINC001077679633 677872924 /nfs/dbraw/zinc/87/29/24/677872924.db2.gz XNEGUXLHRIRYJS-YNEHKIRRSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@H]1O ZINC001077677085 677872977 /nfs/dbraw/zinc/87/29/77/677872977.db2.gz WZZCSFSUSDEWMA-IJLUTSLNSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(Cl)n1 ZINC001077674173 677873095 /nfs/dbraw/zinc/87/30/95/677873095.db2.gz IFCONXWXBQCYEP-NXEZZACHSA-N 1 1 302.762 -1.230 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nncn3C)C[C@H]2O)C1 ZINC001077679258 677873118 /nfs/dbraw/zinc/87/31/18/677873118.db2.gz LSQLPXQNECOJBW-JHJVBQTASA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)C1 ZINC001077679632 677873231 /nfs/dbraw/zinc/87/32/31/677873231.db2.gz XNEGUXLHRIRYJS-JHJVBQTASA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001077676604 677873331 /nfs/dbraw/zinc/87/33/31/677873331.db2.gz BLMCMQSPKIWUQD-IACUBPJLSA-N 1 1 324.425 -1.089 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnn(C)n3)C[C@H]2O)C1 ZINC001077679698 677873344 /nfs/dbraw/zinc/87/33/44/677873344.db2.gz ZEOPISGVXDIOSI-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077686376 677874510 /nfs/dbraw/zinc/87/45/10/677874510.db2.gz LIODAHCQLBMOMH-LMLFDSFASA-N 1 1 308.342 -2.439 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077686376 677874513 /nfs/dbraw/zinc/87/45/13/677874513.db2.gz LIODAHCQLBMOMH-LMLFDSFASA-N 1 1 308.342 -2.439 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077703286 677875119 /nfs/dbraw/zinc/87/51/19/677875119.db2.gz MOWFUAKWWSNCPN-DDHJBXDOSA-N 1 1 324.381 -1.254 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001077703286 677875122 /nfs/dbraw/zinc/87/51/22/677875122.db2.gz MOWFUAKWWSNCPN-DDHJBXDOSA-N 1 1 324.381 -1.254 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001077705414 677875559 /nfs/dbraw/zinc/87/55/59/677875559.db2.gz OVAQDYHALKSNIW-IJLUTSLNSA-N 1 1 324.385 -1.567 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2nnnn2CC1 ZINC001077706530 677875761 /nfs/dbraw/zinc/87/57/61/677875761.db2.gz PYDMOZISEJSKDL-QJPTWQEYSA-N 1 1 324.385 -1.831 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083787340 677878642 /nfs/dbraw/zinc/87/86/42/677878642.db2.gz WERDMGAUODGPKZ-GDPRMGEGSA-N 1 1 311.338 -1.049 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753808 677878905 /nfs/dbraw/zinc/87/89/05/677878905.db2.gz ZDBRTIOYINTAQD-HBNTYKKESA-N 1 1 310.354 -1.454 20 0 DAADMO CCCN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1=O ZINC001077756556 677878924 /nfs/dbraw/zinc/87/89/24/677878924.db2.gz CCYPSGAVIASREC-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001077772557 677880708 /nfs/dbraw/zinc/88/07/08/677880708.db2.gz DXLVDSLEHYHAPX-NXEZZACHSA-N 1 1 324.337 -2.022 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001077772844 677881001 /nfs/dbraw/zinc/88/10/01/677881001.db2.gz LZGIUJBBHSWCLP-RKDXNWHRSA-N 1 1 312.326 -2.023 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001077788860 677881485 /nfs/dbraw/zinc/88/14/85/677881485.db2.gz QXKSWHQQYFIJNI-YNEHKIRRSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001077788860 677881488 /nfs/dbraw/zinc/88/14/88/677881488.db2.gz QXKSWHQQYFIJNI-YNEHKIRRSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077789976 677881620 /nfs/dbraw/zinc/88/16/20/677881620.db2.gz SCWIYUHZJDYAJF-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077789976 677881622 /nfs/dbraw/zinc/88/16/22/677881622.db2.gz SCWIYUHZJDYAJF-JHJVBQTASA-N 1 1 313.398 -1.211 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001077788961 677881677 /nfs/dbraw/zinc/88/16/77/677881677.db2.gz WEUGEACFGXUXFO-CHWSQXEVSA-N 1 1 313.398 -1.211 20 0 DAADMO CC1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077788961 677881680 /nfs/dbraw/zinc/88/16/80/677881680.db2.gz WEUGEACFGXUXFO-CHWSQXEVSA-N 1 1 313.398 -1.211 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)c2nc[nH]n2)C1 ZINC001040448194 677883127 /nfs/dbraw/zinc/88/31/27/677883127.db2.gz XNRLNRFEVPCZAO-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001083792479 677883398 /nfs/dbraw/zinc/88/33/98/677883398.db2.gz RZTYOYYAXJJHEX-NEPJUHHUSA-N 1 1 308.338 -1.744 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ncc1C(N)=O ZINC001083792479 677883400 /nfs/dbraw/zinc/88/34/00/677883400.db2.gz RZTYOYYAXJJHEX-NEPJUHHUSA-N 1 1 308.338 -1.744 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CC2(C1)NC(=O)NC2=O ZINC001077825673 677885310 /nfs/dbraw/zinc/88/53/10/677885310.db2.gz SOJMVDZWOTWRQH-YJVGMPMCSA-N 1 1 322.365 -1.454 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001077824167 677885333 /nfs/dbraw/zinc/88/53/33/677885333.db2.gz PCLZFQFVNAQXKV-YJVGMPMCSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1)[C@@H]1CNC(=O)N1 ZINC000998672568 677885470 /nfs/dbraw/zinc/88/54/70/677885470.db2.gz ZNQHQRCHPNZXFI-NHYWBVRUSA-N 1 1 321.381 -1.519 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001077824262 677885661 /nfs/dbraw/zinc/88/56/61/677885661.db2.gz UVGVDVUDBOLCRH-YJVGMPMCSA-N 1 1 324.381 -1.208 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001077824043 677885691 /nfs/dbraw/zinc/88/56/91/677885691.db2.gz IYBHVTJZRUUKPD-OVAVYLEHSA-N 1 1 310.354 -1.454 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077826839 677885727 /nfs/dbraw/zinc/88/57/27/677885727.db2.gz SXXRGAWRKMXYIC-YNEHKIRRSA-N 1 1 321.381 -1.287 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679278 677886149 /nfs/dbraw/zinc/88/61/49/677886149.db2.gz NLRPADBCECEHJA-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831543 677886526 /nfs/dbraw/zinc/88/65/26/677886526.db2.gz RHBZFWWUAHTJNI-JMJZKYOTSA-N 1 1 313.354 -1.765 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999229745 677888298 /nfs/dbraw/zinc/88/82/98/677888298.db2.gz WVRNJLACEQEQNH-RTBKNWGFSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000999574307 677890352 /nfs/dbraw/zinc/89/03/52/677890352.db2.gz USWYPVKPGBVMHT-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032719739 677891834 /nfs/dbraw/zinc/89/18/34/677891834.db2.gz SURZYFLWYKROII-RYUDHWBXSA-N 1 1 321.381 -1.342 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032719739 677891835 /nfs/dbraw/zinc/89/18/35/677891835.db2.gz SURZYFLWYKROII-RYUDHWBXSA-N 1 1 321.381 -1.342 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999892516 677892469 /nfs/dbraw/zinc/89/24/69/677892469.db2.gz WLTZMXWSDSGMAA-ONGXEEELSA-N 1 1 322.369 -1.492 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000999897608 677892487 /nfs/dbraw/zinc/89/24/87/677892487.db2.gz FKNSHXVCODAQLA-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C(=O)N2CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000999896305 677892494 /nfs/dbraw/zinc/89/24/94/677892494.db2.gz QQKMUQKRVSDEMJ-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077848892 677893296 /nfs/dbraw/zinc/89/32/96/677893296.db2.gz VZFVGNYAHNEYIG-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999862073 677893418 /nfs/dbraw/zinc/89/34/18/677893418.db2.gz ZIRFHYJQRTUZDK-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077852926 677893699 /nfs/dbraw/zinc/89/36/99/677893699.db2.gz AYQQRUFLYUOOTC-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC001077871035 677893736 /nfs/dbraw/zinc/89/37/36/677893736.db2.gz YFMSHIBWNDGLBV-VXGBXAGGSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)c1cnon1 ZINC001077871035 677893738 /nfs/dbraw/zinc/89/37/38/677893738.db2.gz YFMSHIBWNDGLBV-VXGBXAGGSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077852034 677893909 /nfs/dbraw/zinc/89/39/09/677893909.db2.gz QFQVNHDLFQJATO-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001077867566 677893992 /nfs/dbraw/zinc/89/39/92/677893992.db2.gz UBOIUQBXCFMGEK-HBNTYKKESA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC001077865703 677894026 /nfs/dbraw/zinc/89/40/26/677894026.db2.gz CONKRCUOZFRWDA-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC001077865703 677894028 /nfs/dbraw/zinc/89/40/28/677894028.db2.gz CONKRCUOZFRWDA-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)ccc1=O ZINC001077857038 677894591 /nfs/dbraw/zinc/89/45/91/677894591.db2.gz WOSOJOXESTZIAG-YUSALJHKSA-N 1 1 310.354 -1.581 20 0 DAADMO C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001077879734 677896509 /nfs/dbraw/zinc/89/65/09/677896509.db2.gz UDKMZVHCLWHLNB-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077897107 677896995 /nfs/dbraw/zinc/89/69/95/677896995.db2.gz HYLIFMMWPLQAOM-GHMZBOCLSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077897107 677896998 /nfs/dbraw/zinc/89/69/98/677896998.db2.gz HYLIFMMWPLQAOM-GHMZBOCLSA-N 1 1 305.342 -1.595 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CCOC1 ZINC001077899388 677897612 /nfs/dbraw/zinc/89/76/12/677897612.db2.gz DIDGZMCUGXXIBF-YRGRVCCFSA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CCOC1 ZINC001077899388 677897614 /nfs/dbraw/zinc/89/76/14/677897614.db2.gz DIDGZMCUGXXIBF-YRGRVCCFSA-N 1 1 309.370 -1.134 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077902957 677897619 /nfs/dbraw/zinc/89/76/19/677897619.db2.gz DMJGIICLEYMNRR-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cccc(-n2cncn2)n1 ZINC001077912939 677899195 /nfs/dbraw/zinc/89/91/95/677899195.db2.gz UARFQQYPMMYTQO-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc(-n2cncn2)n1 ZINC001077912939 677899201 /nfs/dbraw/zinc/89/92/01/677899201.db2.gz UARFQQYPMMYTQO-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077949615 677900135 /nfs/dbraw/zinc/90/01/35/677900135.db2.gz DGAIDCGZMDZOPW-RKDXNWHRSA-N 1 1 314.342 -2.530 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077964062 677901049 /nfs/dbraw/zinc/90/10/49/677901049.db2.gz RIEBIJRBSCPOMI-NFAWXSAZSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077976621 677901318 /nfs/dbraw/zinc/90/13/18/677901318.db2.gz NJOPRCVOECLEQY-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077976621 677901322 /nfs/dbraw/zinc/90/13/22/677901322.db2.gz NJOPRCVOECLEQY-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077976621 677901325 /nfs/dbraw/zinc/90/13/25/677901325.db2.gz NJOPRCVOECLEQY-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1=O ZINC001077994477 677902433 /nfs/dbraw/zinc/90/24/33/677902433.db2.gz KZTXZBVODCYNBG-RKDXNWHRSA-N 1 1 300.315 -2.966 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994738 677902549 /nfs/dbraw/zinc/90/25/49/677902549.db2.gz XZEZMBHEQNKWQH-OPRDCNLKSA-N 1 1 314.342 -2.578 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@H]3O)n2n1 ZINC001077994363 677902667 /nfs/dbraw/zinc/90/26/67/677902667.db2.gz FLFWNTYWGKCYIW-ZYHUDNBSSA-N 1 1 320.353 -1.410 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006093 677904077 /nfs/dbraw/zinc/90/40/77/677904077.db2.gz RXVGYQBPNIPEMX-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006294 677904283 /nfs/dbraw/zinc/90/42/83/677904283.db2.gz YRIFFONFFGRPOG-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO Cn1[nH]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001032782258 677904995 /nfs/dbraw/zinc/90/49/95/677904995.db2.gz ZPMWIDDSZNMMLR-SRVKXCTJSA-N 1 1 320.397 -1.155 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078016079 677905072 /nfs/dbraw/zinc/90/50/72/677905072.db2.gz YUCAVMKKUZPWDK-NXEZZACHSA-N 1 1 311.338 -1.047 20 0 DAADMO Cn1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001032782158 677905228 /nfs/dbraw/zinc/90/52/28/677905228.db2.gz WOYGTUULAOTMJQ-WOPDTQHZSA-N 1 1 305.386 -1.053 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001078083076 677907730 /nfs/dbraw/zinc/90/77/30/677907730.db2.gz FJXQNCYKNANZKS-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001078083076 677907733 /nfs/dbraw/zinc/90/77/33/677907733.db2.gz FJXQNCYKNANZKS-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO Cn1nnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cc21 ZINC001078088279 677909083 /nfs/dbraw/zinc/90/90/83/677909083.db2.gz LGZWNGQQXZYUFS-DGCLKSJQSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1nnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cc21 ZINC001078088279 677909084 /nfs/dbraw/zinc/90/90/84/677909084.db2.gz LGZWNGQQXZYUFS-DGCLKSJQSA-N 1 1 305.338 -1.265 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001078120857 677912150 /nfs/dbraw/zinc/91/21/50/677912150.db2.gz CGJZFBXPRZLPRU-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001078120857 677912154 /nfs/dbraw/zinc/91/21/54/677912154.db2.gz CGJZFBXPRZLPRU-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078122639 677912251 /nfs/dbraw/zinc/91/22/51/677912251.db2.gz KCEGPJKREBLBAU-WDEREUQCSA-N 1 1 314.386 -1.408 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)C1 ZINC001078122639 677912254 /nfs/dbraw/zinc/91/22/54/677912254.db2.gz KCEGPJKREBLBAU-WDEREUQCSA-N 1 1 314.386 -1.408 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078135918 677913450 /nfs/dbraw/zinc/91/34/50/677913450.db2.gz XFOSWUUYDSHSHJ-YUSALJHKSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078150680 677913609 /nfs/dbraw/zinc/91/36/09/677913609.db2.gz KXJPVEPJMWWYMG-NXEZZACHSA-N 1 1 301.318 -1.344 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144546 677913910 /nfs/dbraw/zinc/91/39/10/677913910.db2.gz UXTWMYKYQVECOO-IWSPIJDZSA-N 1 1 300.315 -2.920 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1=O ZINC001078144136 677913922 /nfs/dbraw/zinc/91/39/22/677913922.db2.gz ABQRSIUVMVJCGU-NXEZZACHSA-N 1 1 314.342 -2.576 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144438 677914265 /nfs/dbraw/zinc/91/42/65/677914265.db2.gz OONYYMCSEXZCER-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078144269 677914303 /nfs/dbraw/zinc/91/43/03/677914303.db2.gz HOPNSHRNCCLWCT-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO NC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001078157461 677914612 /nfs/dbraw/zinc/91/46/12/677914612.db2.gz XVZDLWGDHXGDRF-CHWSQXEVSA-N 1 1 322.365 -1.378 20 0 DAADMO NC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001078157461 677914615 /nfs/dbraw/zinc/91/46/15/677914615.db2.gz XVZDLWGDHXGDRF-CHWSQXEVSA-N 1 1 322.365 -1.378 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001078154223 677914642 /nfs/dbraw/zinc/91/46/42/677914642.db2.gz PQPOAVHQUZHZJN-VXGBXAGGSA-N 1 1 314.386 -1.679 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078149663 677914804 /nfs/dbraw/zinc/91/48/04/677914804.db2.gz QXGUPXQLBLAYMS-RKDXNWHRSA-N 1 1 309.326 -2.267 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078149663 677914806 /nfs/dbraw/zinc/91/48/06/677914806.db2.gz QXGUPXQLBLAYMS-RKDXNWHRSA-N 1 1 309.326 -2.267 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001078154094 677914813 /nfs/dbraw/zinc/91/48/13/677914813.db2.gz OJYDEUUMCJKZJL-VXGBXAGGSA-N 1 1 314.386 -1.415 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001078155984 677914917 /nfs/dbraw/zinc/91/49/17/677914917.db2.gz MGYNGAZVFJHTBZ-MVWJERBFSA-N 1 1 314.386 -1.681 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078146562 677915006 /nfs/dbraw/zinc/91/50/06/677915006.db2.gz NGKIRHVBZDIGOS-RKDXNWHRSA-N 1 1 300.315 -2.918 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)ccc1=O ZINC001078161260 677915316 /nfs/dbraw/zinc/91/53/16/677915316.db2.gz LTSHTSLFKRXPPG-VXGBXAGGSA-N 1 1 310.354 -1.580 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001078161260 677915319 /nfs/dbraw/zinc/91/53/19/677915319.db2.gz LTSHTSLFKRXPPG-VXGBXAGGSA-N 1 1 310.354 -1.580 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccccc1-n1cnnn1 ZINC001078163314 677915586 /nfs/dbraw/zinc/91/55/86/677915586.db2.gz HOLQKYDBGYFQEN-DGCLKSJQSA-N 1 1 318.337 -1.571 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001078160267 677915776 /nfs/dbraw/zinc/91/57/76/677915776.db2.gz RSSXKORKKIFOQB-CHWSQXEVSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078163576 677915790 /nfs/dbraw/zinc/91/57/90/677915790.db2.gz VPYDICMVPKIARF-ZYHUDNBSSA-N 1 1 321.333 -1.252 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001078166064 677916039 /nfs/dbraw/zinc/91/60/39/677916039.db2.gz NEMXMQJEHKTGEQ-OASPWFOLSA-N 1 1 307.350 -1.059 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001078165222 677916495 /nfs/dbraw/zinc/91/64/95/677916495.db2.gz WWIFMQYGGSWGDR-HBNTYKKESA-N 1 1 315.395 -1.240 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2O)C1 ZINC001078174595 677916828 /nfs/dbraw/zinc/91/68/28/677916828.db2.gz QCAMBAIHHVENKU-IJLUTSLNSA-N 1 1 319.427 -1.856 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCS(C)(=O)=O)C[C@H]2O)C1 ZINC001078174596 677916874 /nfs/dbraw/zinc/91/68/74/677916874.db2.gz QCAMBAIHHVENKU-QJPTWQEYSA-N 1 1 319.427 -1.856 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078183313 677917005 /nfs/dbraw/zinc/91/70/05/677917005.db2.gz LIFWMYKSGWCEJZ-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO Cc1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001078174080 677917020 /nfs/dbraw/zinc/91/70/20/677917020.db2.gz AUEQJJWONXPYSQ-IJLUTSLNSA-N 1 1 309.370 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2O)C1 ZINC001078174750 677917063 /nfs/dbraw/zinc/91/70/63/677917063.db2.gz REIMSKFMANOXKH-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174271 677917086 /nfs/dbraw/zinc/91/70/86/677917086.db2.gz GTDJIIDASSWKIY-MRVWCRGKSA-N 1 1 322.413 -1.089 20 0 DAADMO CCn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078174353 677917111 /nfs/dbraw/zinc/91/71/11/677917111.db2.gz JEAKGHHNYZGNHG-MRVWCRGKSA-N 1 1 322.413 -1.089 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078173088 677917217 /nfs/dbraw/zinc/91/72/17/677917217.db2.gz GTMAXYYDNAJOQA-HBNTYKKESA-N 1 1 320.353 -1.791 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078174334 677917274 /nfs/dbraw/zinc/91/72/74/677917274.db2.gz INOZLGCRIXTUHU-GMTAPVOTSA-N 1 1 309.374 -2.177 20 0 DAADMO CN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001078174318 677917282 /nfs/dbraw/zinc/91/72/82/677917282.db2.gz IDMQVBQMYNCVEF-IACUBPJLSA-N 1 1 324.425 -1.280 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)C[C@H]2O)C1 ZINC001078174560 677917330 /nfs/dbraw/zinc/91/73/30/677917330.db2.gz PEEZOAIMHXSWGO-MGPQQGTHSA-N 1 1 307.398 -1.004 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078174785 677917419 /nfs/dbraw/zinc/91/74/19/677917419.db2.gz SCBUMCONNABHRZ-RAIGVLPGSA-N 1 1 308.386 -1.572 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001078174640 677917442 /nfs/dbraw/zinc/91/74/42/677917442.db2.gz QVESCJNDPCDKCP-GMTAPVOTSA-N 1 1 324.385 -2.279 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)c[nH]1 ZINC001078184502 677917910 /nfs/dbraw/zinc/91/79/10/677917910.db2.gz FWMOGYLBMVTJBT-ZWKOPEQDSA-N 1 1 322.365 -1.075 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001078193228 677918016 /nfs/dbraw/zinc/91/80/16/677918016.db2.gz IEODRQISNWACDW-QJPTWQEYSA-N 1 1 317.411 -1.361 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001078194417 677918505 /nfs/dbraw/zinc/91/85/05/677918505.db2.gz JJBLETXUAOTELF-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001078182308 677918776 /nfs/dbraw/zinc/91/87/76/677918776.db2.gz OWQOSEHRWYPLDW-FRRDWIJNSA-N 1 1 321.381 -1.416 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)C1 ZINC001078209961 677919237 /nfs/dbraw/zinc/91/92/37/677919237.db2.gz OSVWLLHAENLSJJ-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)C1 ZINC001078209961 677919242 /nfs/dbraw/zinc/91/92/42/677919242.db2.gz OSVWLLHAENLSJJ-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2nncn2C1 ZINC001078219700 677919276 /nfs/dbraw/zinc/91/92/76/677919276.db2.gz KEFVYRFVQSGZCX-QJPTWQEYSA-N 1 1 309.370 -1.616 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182435 677919377 /nfs/dbraw/zinc/91/93/77/677919377.db2.gz VOGXMQZTIYRSEU-GRYCIOLGSA-N 1 1 309.370 -1.383 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078218286 677919523 /nfs/dbraw/zinc/91/95/23/677919523.db2.gz QMFPEVZGBIAWLH-FBIMIBRVSA-N 1 1 308.338 -1.664 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001078207052 677919547 /nfs/dbraw/zinc/91/95/47/677919547.db2.gz PAUMVPWDNWBSLL-FBIMIBRVSA-N 1 1 311.338 -1.097 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 ZINC001078207052 677919550 /nfs/dbraw/zinc/91/95/50/677919550.db2.gz PAUMVPWDNWBSLL-FBIMIBRVSA-N 1 1 311.338 -1.097 20 0 DAADMO Cc1nnc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)CC2 ZINC001078220040 677919596 /nfs/dbraw/zinc/91/95/96/677919596.db2.gz WXZBGTIFDXZGNS-JHJVBQTASA-N 1 1 323.397 -1.307 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CC2 ZINC001078219707 677919656 /nfs/dbraw/zinc/91/96/56/677919656.db2.gz KHCYTVNUFJAPSK-QJPTWQEYSA-N 1 1 309.370 -1.697 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078208621 677919666 /nfs/dbraw/zinc/91/96/66/677919666.db2.gz RYUIPQHFJRXGKZ-JHJVBQTASA-N 1 1 306.366 -1.003 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001078208621 677919668 /nfs/dbraw/zinc/91/96/68/677919668.db2.gz RYUIPQHFJRXGKZ-JHJVBQTASA-N 1 1 306.366 -1.003 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H](C1CC1)N1CCOCC1 ZINC001078213797 677919681 /nfs/dbraw/zinc/91/96/81/677919681.db2.gz CXYULTSREGWCHR-MGPQQGTHSA-N 1 1 313.398 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H](C1CC1)N1CCOCC1 ZINC001078213797 677919684 /nfs/dbraw/zinc/91/96/84/677919684.db2.gz CXYULTSREGWCHR-MGPQQGTHSA-N 1 1 313.398 -1.749 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078214194 677919713 /nfs/dbraw/zinc/91/97/13/677919713.db2.gz WLLMPAGSNXFCHW-GHMZBOCLSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078214194 677919715 /nfs/dbraw/zinc/91/97/15/677919715.db2.gz WLLMPAGSNXFCHW-GHMZBOCLSA-N 1 1 308.338 -1.398 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)CC2 ZINC001078220041 677919816 /nfs/dbraw/zinc/91/98/16/677919816.db2.gz WXZBGTIFDXZGNS-YNEHKIRRSA-N 1 1 323.397 -1.307 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001078228581 677920200 /nfs/dbraw/zinc/92/02/00/677920200.db2.gz WMJYJPKXZQNPMT-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229423 677920370 /nfs/dbraw/zinc/92/03/70/677920370.db2.gz HEWTWZSOWBGKNA-HOSYDEDBSA-N 1 1 324.385 -1.416 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246355 677920951 /nfs/dbraw/zinc/92/09/51/677920951.db2.gz YOGVOZJIIQDWRY-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246355 677920955 /nfs/dbraw/zinc/92/09/55/677920955.db2.gz YOGVOZJIIQDWRY-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946561005 677921148 /nfs/dbraw/zinc/92/11/48/677921148.db2.gz ISECRFBUZHDDIM-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001078254958 677921872 /nfs/dbraw/zinc/92/18/72/677921872.db2.gz YHBNCEXFBLIDLY-LERXQTSPSA-N 1 1 321.377 -1.130 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001078279909 677922176 /nfs/dbraw/zinc/92/21/76/677922176.db2.gz GADCCBOQSMNWBU-OUAUKWLOSA-N 1 1 300.359 -1.663 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273458 677922226 /nfs/dbraw/zinc/92/22/26/677922226.db2.gz SATUHWMRVXNVTH-GGZOMVNGSA-N 1 1 308.338 -1.664 20 0 DAADMO CC(=O)NC1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001078282255 677922551 /nfs/dbraw/zinc/92/25/51/677922551.db2.gz ROYZWJHJPGLYBZ-NWINJMCUSA-N 1 1 313.398 -1.165 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccnc(-n2cncn2)c1 ZINC001078273390 677922582 /nfs/dbraw/zinc/92/25/82/677922582.db2.gz OOUQGMKZPNSLRY-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc(-n2cncn2)c1 ZINC001078273390 677922586 /nfs/dbraw/zinc/92/25/86/677922586.db2.gz OOUQGMKZPNSLRY-VXGBXAGGSA-N 1 1 318.337 -1.571 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nc1 ZINC001078267091 677923206 /nfs/dbraw/zinc/92/32/06/677923206.db2.gz SMGNVQLRBLUMMF-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO CCn1cc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)nn1 ZINC001078361673 677924040 /nfs/dbraw/zinc/92/40/40/677924040.db2.gz KTRNCKJFMFVSNZ-LBPRGKRZSA-N 1 1 324.385 -1.120 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCCO2)[nH]1 ZINC001078362303 677924058 /nfs/dbraw/zinc/92/40/58/677924058.db2.gz TWRFXVWZXMUWHI-SNVBAGLBSA-N 1 1 310.358 -1.304 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001078345869 677924103 /nfs/dbraw/zinc/92/41/03/677924103.db2.gz IELPZOCBBHXINS-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCCO1)c1nncn1C ZINC001078362167 677924204 /nfs/dbraw/zinc/92/42/04/677924204.db2.gz RVAJAOTWDLSELH-WDEREUQCSA-N 1 1 324.385 -1.041 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1)c1nncn1C ZINC001078362160 677924262 /nfs/dbraw/zinc/92/42/62/677924262.db2.gz RVAJAOTWDLSELH-MNOVXSKESA-N 1 1 324.385 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001078396583 677924544 /nfs/dbraw/zinc/92/45/44/677924544.db2.gz QDQHUNUFFGWJOP-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO CO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001078349098 677924656 /nfs/dbraw/zinc/92/46/56/677924656.db2.gz FAFAKQZSNVKOOY-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO O=C(Cn1ncnn1)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078401964 677924776 /nfs/dbraw/zinc/92/47/76/677924776.db2.gz AIOAUBVDDWZGPR-NSHDSACASA-N 1 1 322.329 -1.537 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001078424360 677924832 /nfs/dbraw/zinc/92/48/32/677924832.db2.gz RIMSUDHJJHJIGT-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001078439132 677925336 /nfs/dbraw/zinc/92/53/36/677925336.db2.gz IHZTWNJLNKMVOT-QWRGUYRKSA-N 1 1 322.369 -1.178 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001078439133 677925386 /nfs/dbraw/zinc/92/53/86/677925386.db2.gz IHZTWNJLNKMVOT-WDEREUQCSA-N 1 1 322.369 -1.178 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457528 677925608 /nfs/dbraw/zinc/92/56/08/677925608.db2.gz YWKMAENLHUAUAF-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001078456726 677926090 /nfs/dbraw/zinc/92/60/90/677926090.db2.gz GCXJMPNJPLYSPC-QWRGUYRKSA-N 1 1 324.341 -1.542 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3nc[nH]n3)CCCO2)nn1 ZINC001078487096 677926278 /nfs/dbraw/zinc/92/62/78/677926278.db2.gz CGOQRJILCRHZOV-NSHDSACASA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)CCCO2)nn1 ZINC001078487095 677926428 /nfs/dbraw/zinc/92/64/28/677926428.db2.gz CGOQRJILCRHZOV-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)[nH]1 ZINC001078458999 677926577 /nfs/dbraw/zinc/92/65/77/677926577.db2.gz XXMBIAQTFMBQNJ-WCBMZHEXSA-N 1 1 310.358 -1.133 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)[nH]1 ZINC001078458998 677926593 /nfs/dbraw/zinc/92/65/93/677926593.db2.gz XXMBIAQTFMBQNJ-SCZZXKLOSA-N 1 1 310.358 -1.133 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001043428432 677932147 /nfs/dbraw/zinc/93/21/47/677932147.db2.gz NQMFHCOLIRSGAZ-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001043428432 677932153 /nfs/dbraw/zinc/93/21/53/677932153.db2.gz NQMFHCOLIRSGAZ-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001043428432 677932155 /nfs/dbraw/zinc/93/21/55/677932155.db2.gz NQMFHCOLIRSGAZ-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056731005 677933392 /nfs/dbraw/zinc/93/33/92/677933392.db2.gz PSXRCKJWBVVNPE-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO COCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056731005 677933394 /nfs/dbraw/zinc/93/33/94/677933394.db2.gz PSXRCKJWBVVNPE-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040548627 677933715 /nfs/dbraw/zinc/93/37/15/677933715.db2.gz YLNACPFWFUOPKF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040548627 677933717 /nfs/dbraw/zinc/93/37/17/677933717.db2.gz YLNACPFWFUOPKF-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1)C1CCC1 ZINC001058388908 677941089 /nfs/dbraw/zinc/94/10/89/677941089.db2.gz ROZPXSBIYXCWGA-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061452647 677950639 /nfs/dbraw/zinc/95/06/39/677950639.db2.gz FJHWZTJAGFZOCP-NSHDSACASA-N 1 1 323.353 -1.589 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061651027 677959838 /nfs/dbraw/zinc/95/98/38/677959838.db2.gz HQZGSFUQKCXSDD-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1COCCN1C(=O)C(N)=O)C1CCC1 ZINC001061664611 677960320 /nfs/dbraw/zinc/96/03/20/677960320.db2.gz ZWHOBYNXDHNIHS-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001044967887 677961715 /nfs/dbraw/zinc/96/17/15/677961715.db2.gz UYLIPIXRZFWVQQ-JTQLQIEISA-N 1 1 307.358 -1.036 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CC(N)=O ZINC001061740579 677962950 /nfs/dbraw/zinc/96/29/50/677962950.db2.gz DCCFXOUFRIDBOO-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061841343 677966580 /nfs/dbraw/zinc/96/65/80/677966580.db2.gz YJKNHVPOORYMSJ-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061843529 677969326 /nfs/dbraw/zinc/96/93/26/677969326.db2.gz BDGGIJFRMBRWJP-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061908373 677973692 /nfs/dbraw/zinc/97/36/92/677973692.db2.gz ZCHKMPQKLIEVEC-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061908375 677973945 /nfs/dbraw/zinc/97/39/45/677973945.db2.gz ZCHKMPQKLIEVEC-WDEREUQCSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC001061908030 677974006 /nfs/dbraw/zinc/97/40/06/677974006.db2.gz RTWWZWSTJRGVBZ-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001061919382 677974636 /nfs/dbraw/zinc/97/46/36/677974636.db2.gz LOGUHCBIXHSIHV-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)Cn2cnnn2)CCC1 ZINC001062712153 677981787 /nfs/dbraw/zinc/98/17/87/677981787.db2.gz OWSHDEPUNRNCOQ-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)Cn3cnnn3)CCC2)C1 ZINC001063099283 677986028 /nfs/dbraw/zinc/98/60/28/677986028.db2.gz NPSGKMIJDJEKAD-NSHDSACASA-N 1 1 321.385 -1.220 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)[C@@H]3CNC(=O)N3)CCC2)C1 ZINC001063100099 677986172 /nfs/dbraw/zinc/98/61/72/677986172.db2.gz FYVHTCJFTFACBW-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)n1 ZINC001064046595 677992083 /nfs/dbraw/zinc/99/20/83/677992083.db2.gz SLBPNQOLOSDHED-SNVBAGLBSA-N 1 1 321.385 -1.070 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)C1 ZINC001064271551 677994174 /nfs/dbraw/zinc/99/41/74/677994174.db2.gz XJGAUZXTAFOCFZ-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CCC2)C1 ZINC001064271550 677994185 /nfs/dbraw/zinc/99/41/85/677994185.db2.gz XJGAUZXTAFOCFZ-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001064271544 677994340 /nfs/dbraw/zinc/99/43/40/677994340.db2.gz XFNFEFMEFRDTJY-GHMZBOCLSA-N 1 1 323.397 -1.083 20 0 DAADMO NC(=O)C(=O)NCC1(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC001064294927 677995561 /nfs/dbraw/zinc/99/55/61/677995561.db2.gz FULLXOLVLCSVNV-WDEREUQCSA-N 1 1 324.381 -1.510 20 0 DAADMO NC(=O)C(=O)NCC1(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC001064294926 677995758 /nfs/dbraw/zinc/99/57/58/677995758.db2.gz FULLXOLVLCSVNV-QWRGUYRKSA-N 1 1 324.381 -1.510 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)O1 ZINC001064296968 677996090 /nfs/dbraw/zinc/99/60/90/677996090.db2.gz YNRDMKUODKPRQL-NXEZZACHSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)C(N)=O)CCC2)O1 ZINC001064296968 677996092 /nfs/dbraw/zinc/99/60/92/677996092.db2.gz YNRDMKUODKPRQL-NXEZZACHSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009957 678010667 /nfs/dbraw/zinc/01/06/67/678010667.db2.gz TWZATADKPKNVSL-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001065009957 678010669 /nfs/dbraw/zinc/01/06/69/678010669.db2.gz TWZATADKPKNVSL-VHSXEESVSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)C(F)F)C2)C1 ZINC001065008809 678010700 /nfs/dbraw/zinc/01/07/00/678010700.db2.gz JIVYQFOZAPKBDV-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)C(F)F)C2)C1 ZINC001065008809 678010703 /nfs/dbraw/zinc/01/07/03/678010703.db2.gz JIVYQFOZAPKBDV-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001065172469 678016132 /nfs/dbraw/zinc/01/61/32/678016132.db2.gz ZRGWAKMSVUTMLN-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO COCC(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079154992 678017798 /nfs/dbraw/zinc/01/77/98/678017798.db2.gz HBRZXSVLGXEAKW-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH+](CC(N)=O)CC1 ZINC001079164154 678017821 /nfs/dbraw/zinc/01/78/21/678017821.db2.gz VHKWKAKNMLTOSM-CHWSQXEVSA-N 1 1 323.397 -1.049 20 0 DAADMO NC(=O)CC(=O)N1CC2(CC[NH+](CC(N)=O)CC2)[C@H]2COC[C@H]21 ZINC001079230470 678019046 /nfs/dbraw/zinc/01/90/46/678019046.db2.gz ZSTQEHLZGALWHP-WDEREUQCSA-N 1 1 324.381 -1.714 20 0 DAADMO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079291376 678020472 /nfs/dbraw/zinc/02/04/72/678020472.db2.gz SYKIWHUMZGWXEA-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079398043 678020766 /nfs/dbraw/zinc/02/07/66/678020766.db2.gz CKZKPRNIQDZHQC-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079398043 678020769 /nfs/dbraw/zinc/02/07/69/678020769.db2.gz CKZKPRNIQDZHQC-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079396797 678021139 /nfs/dbraw/zinc/02/11/39/678021139.db2.gz GIRFHYGIZJWPOY-JFGNBEQYSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079396797 678021142 /nfs/dbraw/zinc/02/11/42/678021142.db2.gz GIRFHYGIZJWPOY-JFGNBEQYSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505432 678021575 /nfs/dbraw/zinc/02/15/75/678021575.db2.gz YBVLZLUQCYPVKA-BBBLOLIVSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505432 678021576 /nfs/dbraw/zinc/02/15/76/678021576.db2.gz YBVLZLUQCYPVKA-BBBLOLIVSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598587 678022999 /nfs/dbraw/zinc/02/29/99/678022999.db2.gz IJCCFRJUFXARGC-JHJVBQTASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598587 678023000 /nfs/dbraw/zinc/02/30/00/678023000.db2.gz IJCCFRJUFXARGC-JHJVBQTASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589669 678023002 /nfs/dbraw/zinc/02/30/02/678023002.db2.gz KWIGGBFSQWKJCV-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079589669 678023003 /nfs/dbraw/zinc/02/30/03/678023003.db2.gz KWIGGBFSQWKJCV-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644429 678023467 /nfs/dbraw/zinc/02/34/67/678023467.db2.gz XMRKXIIXKUKOCM-OPRDCNLKSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnnn1C ZINC001079644429 678023468 /nfs/dbraw/zinc/02/34/68/678023468.db2.gz XMRKXIIXKUKOCM-OPRDCNLKSA-N 1 1 320.353 -1.330 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)C1 ZINC001079629082 678023752 /nfs/dbraw/zinc/02/37/52/678023752.db2.gz DDOKHYIVPWNGCD-OASPWFOLSA-N 1 1 308.382 -1.210 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)C1 ZINC001079629082 678023757 /nfs/dbraw/zinc/02/37/57/678023757.db2.gz DDOKHYIVPWNGCD-OASPWFOLSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655240 678024180 /nfs/dbraw/zinc/02/41/80/678024180.db2.gz WEEOMDXQMWPSNX-FXPVBKGRSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001079655240 678024181 /nfs/dbraw/zinc/02/41/81/678024181.db2.gz WEEOMDXQMWPSNX-FXPVBKGRSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648144 678024249 /nfs/dbraw/zinc/02/42/49/678024249.db2.gz HQERUBKGZSWAJF-IEBDPFPHSA-N 1 1 310.354 -1.190 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079648144 678024252 /nfs/dbraw/zinc/02/42/52/678024252.db2.gz HQERUBKGZSWAJF-IEBDPFPHSA-N 1 1 310.354 -1.190 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)[nH]1 ZINC001079677437 678024616 /nfs/dbraw/zinc/02/46/16/678024616.db2.gz ROMANGMMBCPZEG-IEBDPFPHSA-N 1 1 306.370 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)[nH]1 ZINC001079677437 678024621 /nfs/dbraw/zinc/02/46/21/678024621.db2.gz ROMANGMMBCPZEG-IEBDPFPHSA-N 1 1 306.370 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ncn(C)n1 ZINC001079661222 678024711 /nfs/dbraw/zinc/02/47/11/678024711.db2.gz WXVLZUCQXWJJFP-GHMZBOCLSA-N 1 1 321.385 -1.110 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704181 678025237 /nfs/dbraw/zinc/02/52/37/678025237.db2.gz MHXCQKPMFREPNC-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704013 678025244 /nfs/dbraw/zinc/02/52/44/678025244.db2.gz DZRRMGJOGOSXNA-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704013 678025246 /nfs/dbraw/zinc/02/52/46/678025246.db2.gz DZRRMGJOGOSXNA-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704186 678025433 /nfs/dbraw/zinc/02/54/33/678025433.db2.gz MMHYENFRWXGMMQ-BBBLOLIVSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704186 678025437 /nfs/dbraw/zinc/02/54/37/678025437.db2.gz MMHYENFRWXGMMQ-BBBLOLIVSA-N 1 1 321.341 -2.085 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001079698045 678025471 /nfs/dbraw/zinc/02/54/71/678025471.db2.gz HQOWWZFFGMEEHP-NXEZZACHSA-N 1 1 324.381 -1.307 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001079698045 678025474 /nfs/dbraw/zinc/02/54/74/678025474.db2.gz HQOWWZFFGMEEHP-NXEZZACHSA-N 1 1 324.381 -1.307 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001079704563 678025770 /nfs/dbraw/zinc/02/57/70/678025770.db2.gz GKMDAUCXFHKZJO-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730881 678026104 /nfs/dbraw/zinc/02/61/04/678026104.db2.gz UEJHSNRVNBQEHC-IWSPIJDZSA-N 1 1 323.357 -2.313 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001079730881 678026107 /nfs/dbraw/zinc/02/61/07/678026107.db2.gz UEJHSNRVNBQEHC-IWSPIJDZSA-N 1 1 323.357 -2.313 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771447 678026397 /nfs/dbraw/zinc/02/63/97/678026397.db2.gz DTHKUEHKNUECTG-MXWKQRLJSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)Cn1nccn1 ZINC001079771447 678026398 /nfs/dbraw/zinc/02/63/98/678026398.db2.gz DTHKUEHKNUECTG-MXWKQRLJSA-N 1 1 320.353 -1.480 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079807553 678026937 /nfs/dbraw/zinc/02/69/37/678026937.db2.gz CXHJPGNVJLCBHF-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCCS1(=O)=O ZINC001079807553 678026941 /nfs/dbraw/zinc/02/69/41/678026941.db2.gz CXHJPGNVJLCBHF-NXEZZACHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805672 678026969 /nfs/dbraw/zinc/02/69/69/678026969.db2.gz ZAHGBLSCLSFHBZ-GHMZBOCLSA-N 1 1 312.345 -1.047 20 0 DAADMO C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001079805672 678026973 /nfs/dbraw/zinc/02/69/73/678026973.db2.gz ZAHGBLSCLSFHBZ-GHMZBOCLSA-N 1 1 312.345 -1.047 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001079803082 678026993 /nfs/dbraw/zinc/02/69/93/678026993.db2.gz GKZLBBPTCVIEGI-OUAUKWLOSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001079803082 678026996 /nfs/dbraw/zinc/02/69/96/678026996.db2.gz GKZLBBPTCVIEGI-OUAUKWLOSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079881875 678028033 /nfs/dbraw/zinc/02/80/33/678028033.db2.gz YHMYJCYZPTWCCZ-ZYHUDNBSSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079881875 678028034 /nfs/dbraw/zinc/02/80/34/678028034.db2.gz YHMYJCYZPTWCCZ-ZYHUDNBSSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079882885 678028381 /nfs/dbraw/zinc/02/83/81/678028381.db2.gz RCHGLIDNABYAPA-YUSALJHKSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079882885 678028386 /nfs/dbraw/zinc/02/83/86/678028386.db2.gz RCHGLIDNABYAPA-YUSALJHKSA-N 1 1 319.365 -1.281 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881798 678028478 /nfs/dbraw/zinc/02/84/78/678028478.db2.gz VHLCITBIXOILKT-MWLCHTKSSA-N 1 1 307.354 -1.424 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001079881798 678028479 /nfs/dbraw/zinc/02/84/79/678028479.db2.gz VHLCITBIXOILKT-MWLCHTKSSA-N 1 1 307.354 -1.424 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001079990755 678029674 /nfs/dbraw/zinc/02/96/74/678029674.db2.gz LKXXOPVELQNODH-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997474 678029744 /nfs/dbraw/zinc/02/97/44/678029744.db2.gz LVGHDEZFKJRVSU-MXWKQRLJSA-N 1 1 324.385 -1.718 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001080121084 678031017 /nfs/dbraw/zinc/03/10/17/678031017.db2.gz OSMDFJAVOTVQOS-MWLCHTKSSA-N 1 1 317.353 -1.080 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001080121084 678031019 /nfs/dbraw/zinc/03/10/19/678031019.db2.gz OSMDFJAVOTVQOS-MWLCHTKSSA-N 1 1 317.353 -1.080 20 0 DAADMO C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161059 678031781 /nfs/dbraw/zinc/03/17/81/678031781.db2.gz KRSDOFAAKVUKDC-KTGQDBSUSA-N 1 1 322.409 -1.229 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080160984 678031835 /nfs/dbraw/zinc/03/18/35/678031835.db2.gz HOHPVXLTHOBOFT-CKYFFXLPSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080160984 678031837 /nfs/dbraw/zinc/03/18/37/678031837.db2.gz HOHPVXLTHOBOFT-CKYFFXLPSA-N 1 1 319.365 -1.281 20 0 DAADMO C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161060 678031890 /nfs/dbraw/zinc/03/18/90/678031890.db2.gz KRSDOFAAKVUKDC-RYMLTCQSSA-N 1 1 322.409 -1.229 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257980 678032707 /nfs/dbraw/zinc/03/27/07/678032707.db2.gz IVQSPTNSAIYIRP-FRRDWIJNSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257862 678032854 /nfs/dbraw/zinc/03/28/54/678032854.db2.gz CQQUYYDZIGOSGS-GMTAPVOTSA-N 1 1 311.386 -2.272 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257862 678032857 /nfs/dbraw/zinc/03/28/57/678032857.db2.gz CQQUYYDZIGOSGS-GMTAPVOTSA-N 1 1 311.386 -2.272 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277056 678033259 /nfs/dbraw/zinc/03/32/59/678033259.db2.gz DEACHNMVJFOQSN-BBBLOLIVSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277056 678033262 /nfs/dbraw/zinc/03/32/62/678033262.db2.gz DEACHNMVJFOQSN-BBBLOLIVSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080260783 678033326 /nfs/dbraw/zinc/03/33/26/678033326.db2.gz ZGMHSODYQUXNJF-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080260783 678033328 /nfs/dbraw/zinc/03/33/28/678033328.db2.gz ZGMHSODYQUXNJF-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261128 678033542 /nfs/dbraw/zinc/03/35/42/678033542.db2.gz CSGRZVSJFLETCI-ADEWGFFLSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080261128 678033546 /nfs/dbraw/zinc/03/35/46/678033546.db2.gz CSGRZVSJFLETCI-ADEWGFFLSA-N 1 1 308.382 -1.162 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3nnn(C)n3)C2)C1=O ZINC001080277032 678033554 /nfs/dbraw/zinc/03/35/54/678033554.db2.gz CHXGPCXARMVASG-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3nnn(C)n3)C2)C1=O ZINC001080277032 678033559 /nfs/dbraw/zinc/03/35/59/678033559.db2.gz CHXGPCXARMVASG-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281093 678033939 /nfs/dbraw/zinc/03/39/39/678033939.db2.gz OKEVSTMEWISQLR-NXEZZACHSA-N 1 1 322.373 -1.715 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360818 678033976 /nfs/dbraw/zinc/03/39/76/678033976.db2.gz KMPJTZCDEAGJLH-ADEWGFFLSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360818 678033977 /nfs/dbraw/zinc/03/39/77/678033977.db2.gz KMPJTZCDEAGJLH-ADEWGFFLSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080363277 678034279 /nfs/dbraw/zinc/03/42/79/678034279.db2.gz WEOYMAWPIGPKLP-OUAUKWLOSA-N 1 1 307.358 -1.604 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346788 678034338 /nfs/dbraw/zinc/03/43/38/678034338.db2.gz QOHJGMBGRMRDOO-FBIMIBRVSA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346788 678034339 /nfs/dbraw/zinc/03/43/39/678034339.db2.gz QOHJGMBGRMRDOO-FBIMIBRVSA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346506 678034480 /nfs/dbraw/zinc/03/44/80/678034480.db2.gz DHPQFDPWQANPGY-MWLCHTKSSA-N 1 1 307.354 -1.092 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346506 678034484 /nfs/dbraw/zinc/03/44/84/678034484.db2.gz DHPQFDPWQANPGY-MWLCHTKSSA-N 1 1 307.354 -1.092 20 0 DAADMO C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)C(N)=O ZINC001080369109 678034859 /nfs/dbraw/zinc/03/48/59/678034859.db2.gz JSSSDKQMHUVLRU-NXEZZACHSA-N 1 1 323.401 -1.108 20 0 DAADMO C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)C(N)=O ZINC001080369109 678034862 /nfs/dbraw/zinc/03/48/62/678034862.db2.gz JSSSDKQMHUVLRU-NXEZZACHSA-N 1 1 323.401 -1.108 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001080368881 678034913 /nfs/dbraw/zinc/03/49/13/678034913.db2.gz FNBZFTALWLLVBY-PSASIEDQSA-N 1 1 318.337 -1.556 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)C(N)=O ZINC001080368881 678034914 /nfs/dbraw/zinc/03/49/14/678034914.db2.gz FNBZFTALWLLVBY-PSASIEDQSA-N 1 1 318.337 -1.556 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080400589 678035262 /nfs/dbraw/zinc/03/52/62/678035262.db2.gz PNTIZDLDXPGIBY-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080400589 678035265 /nfs/dbraw/zinc/03/52/65/678035265.db2.gz PNTIZDLDXPGIBY-MWLCHTKSSA-N 1 1 312.370 -1.750 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001080407187 678036344 /nfs/dbraw/zinc/03/63/44/678036344.db2.gz RJMUPPWWJCLORJ-CMPLNLGQSA-N 1 1 324.381 -1.606 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080407290 678036382 /nfs/dbraw/zinc/03/63/82/678036382.db2.gz VTBLFDPEAXNSTP-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080407290 678036383 /nfs/dbraw/zinc/03/63/83/678036383.db2.gz VTBLFDPEAXNSTP-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001080407189 678036457 /nfs/dbraw/zinc/03/64/57/678036457.db2.gz RJMUPPWWJCLORJ-PWSUYJOCSA-N 1 1 324.381 -1.606 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080616219 678038135 /nfs/dbraw/zinc/03/81/35/678038135.db2.gz UKKVDCQSQXPXCZ-IEBDPFPHSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001080616219 678038136 /nfs/dbraw/zinc/03/81/36/678038136.db2.gz UKKVDCQSQXPXCZ-IEBDPFPHSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612434 678038390 /nfs/dbraw/zinc/03/83/90/678038390.db2.gz AQXSPIZWFFMRKW-IEBDPFPHSA-N 1 1 322.365 -1.636 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612434 678038392 /nfs/dbraw/zinc/03/83/92/678038392.db2.gz AQXSPIZWFFMRKW-IEBDPFPHSA-N 1 1 322.365 -1.636 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612897 678038446 /nfs/dbraw/zinc/03/84/46/678038446.db2.gz YTOVNFZSHNDTGS-PSASIEDQSA-N 1 1 310.354 -1.778 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001080612897 678038451 /nfs/dbraw/zinc/03/84/51/678038451.db2.gz YTOVNFZSHNDTGS-PSASIEDQSA-N 1 1 310.354 -1.778 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001080607468 678038518 /nfs/dbraw/zinc/03/85/18/678038518.db2.gz SIDBEBHPOLPMNE-PSASIEDQSA-N 1 1 318.337 -1.030 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001080607468 678038520 /nfs/dbraw/zinc/03/85/20/678038520.db2.gz SIDBEBHPOLPMNE-PSASIEDQSA-N 1 1 318.337 -1.030 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)ccc1=O ZINC001080637530 678038965 /nfs/dbraw/zinc/03/89/65/678038965.db2.gz OQOHUMNYPLWADT-MWLCHTKSSA-N 1 1 307.354 -1.201 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)ccc1=O ZINC001080637530 678038966 /nfs/dbraw/zinc/03/89/66/678038966.db2.gz OQOHUMNYPLWADT-MWLCHTKSSA-N 1 1 307.354 -1.201 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648703 678039328 /nfs/dbraw/zinc/03/93/28/678039328.db2.gz XMRRPPSHMGQSRY-SZEHBUNVSA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cnon1 ZINC001080648703 678039329 /nfs/dbraw/zinc/03/93/29/678039329.db2.gz XMRRPPSHMGQSRY-SZEHBUNVSA-N 1 1 307.310 -1.075 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001080733514 678040424 /nfs/dbraw/zinc/04/04/24/678040424.db2.gz XVCXGMYMSVTMDE-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001080733514 678040427 /nfs/dbraw/zinc/04/04/27/678040427.db2.gz XVCXGMYMSVTMDE-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001080771224 678040779 /nfs/dbraw/zinc/04/07/79/678040779.db2.gz ADXPMUFHBXJMTQ-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001080776907 678041326 /nfs/dbraw/zinc/04/13/26/678041326.db2.gz ZLLWEXUXDYWBAI-MWLCHTKSSA-N 1 1 320.353 -1.150 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)n1 ZINC001080821544 678042062 /nfs/dbraw/zinc/04/20/62/678042062.db2.gz XJMFTNNDTXVWSA-MWLCHTKSSA-N 1 1 307.354 -1.526 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)n1 ZINC001080821544 678042063 /nfs/dbraw/zinc/04/20/63/678042063.db2.gz XJMFTNNDTXVWSA-MWLCHTKSSA-N 1 1 307.354 -1.526 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2C)c(=O)n1C ZINC001080872990 678042867 /nfs/dbraw/zinc/04/28/67/678042867.db2.gz WMCZDGDWNFSQDV-CKYFFXLPSA-N 1 1 311.386 -1.292 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894866 678043013 /nfs/dbraw/zinc/04/30/13/678043013.db2.gz REBRRKNMBYUILW-ZYHUDNBSSA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080894866 678043015 /nfs/dbraw/zinc/04/30/15/678043015.db2.gz REBRRKNMBYUILW-ZYHUDNBSSA-N 1 1 321.381 -1.081 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869383 678043149 /nfs/dbraw/zinc/04/31/49/678043149.db2.gz JFDSQAJNWILTCH-FXPVBKGRSA-N 1 1 324.385 -1.799 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)c(=O)n1C ZINC001080869383 678043150 /nfs/dbraw/zinc/04/31/50/678043150.db2.gz JFDSQAJNWILTCH-FXPVBKGRSA-N 1 1 324.385 -1.799 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080890080 678043569 /nfs/dbraw/zinc/04/35/69/678043569.db2.gz POJMJCHULWCGSF-UHFFFAOYSA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080898596 678043642 /nfs/dbraw/zinc/04/36/42/678043642.db2.gz HYJUEBSHDXVJTG-CKYFFXLPSA-N 1 1 321.381 -1.035 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080898596 678043647 /nfs/dbraw/zinc/04/36/47/678043647.db2.gz HYJUEBSHDXVJTG-CKYFFXLPSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080897024 678043856 /nfs/dbraw/zinc/04/38/56/678043856.db2.gz DWDMOEXYGXZDSX-FXPVBKGRSA-N 1 1 307.354 -1.296 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001080897024 678043858 /nfs/dbraw/zinc/04/38/58/678043858.db2.gz DWDMOEXYGXZDSX-FXPVBKGRSA-N 1 1 307.354 -1.296 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CO)CCN(C(=O)C(N)=O)CC1 ZINC001080930267 678044060 /nfs/dbraw/zinc/04/40/60/678044060.db2.gz QGXNPJHTLYZIGN-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913380 678044104 /nfs/dbraw/zinc/04/41/04/678044104.db2.gz HJJSVDJFSPMSKD-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001080913380 678044106 /nfs/dbraw/zinc/04/41/06/678044106.db2.gz HJJSVDJFSPMSKD-NXEZZACHSA-N 1 1 310.354 -1.682 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)c2ncn[nH]2)CC1 ZINC001080942254 678044663 /nfs/dbraw/zinc/04/46/63/678044663.db2.gz HXJCKCPDUWOGQQ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)c2nc[nH]n2)CC1 ZINC001080942254 678044666 /nfs/dbraw/zinc/04/46/66/678044666.db2.gz HXJCKCPDUWOGQQ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001080976922 678045157 /nfs/dbraw/zinc/04/51/57/678045157.db2.gz OREPVAVOZZITLT-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001080976922 678045160 /nfs/dbraw/zinc/04/51/60/678045160.db2.gz OREPVAVOZZITLT-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011322 678046872 /nfs/dbraw/zinc/04/68/72/678046872.db2.gz UQTQTXOLEKJXNR-GMTAPVOTSA-N 1 1 323.397 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001081011322 678046873 /nfs/dbraw/zinc/04/68/73/678046873.db2.gz UQTQTXOLEKJXNR-GMTAPVOTSA-N 1 1 323.397 -1.092 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080968468 678046901 /nfs/dbraw/zinc/04/69/01/678046901.db2.gz AEDCHUHNDZIBOU-JLLWLGSASA-N 1 1 312.370 -1.845 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080968468 678046903 /nfs/dbraw/zinc/04/69/03/678046903.db2.gz AEDCHUHNDZIBOU-JLLWLGSASA-N 1 1 312.370 -1.845 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080999906 678046955 /nfs/dbraw/zinc/04/69/55/678046955.db2.gz NZCDKUCHNOTBPP-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996480 678047412 /nfs/dbraw/zinc/04/74/12/678047412.db2.gz WXVVFBMYDCCOIT-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996245 678047433 /nfs/dbraw/zinc/04/74/33/678047433.db2.gz MDCOSOPPBWDCPH-OPRDCNLKSA-N 1 1 310.358 -1.806 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996511 678047509 /nfs/dbraw/zinc/04/75/09/678047509.db2.gz YBCQWYNGAZJRMS-HRDYMLBCSA-N 1 1 323.357 -2.313 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080996511 678047510 /nfs/dbraw/zinc/04/75/10/678047510.db2.gz YBCQWYNGAZJRMS-HRDYMLBCSA-N 1 1 323.357 -2.313 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)COC)[C@H](O)C1 ZINC001081181869 678055120 /nfs/dbraw/zinc/05/51/20/678055120.db2.gz XPRYJVUGWNUUGL-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)COC)C1 ZINC001081181868 678055260 /nfs/dbraw/zinc/05/52/60/678055260.db2.gz XPRYJVUGWNUUGL-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)COC)C1 ZINC001081181866 678055277 /nfs/dbraw/zinc/05/52/77/678055277.db2.gz XPRYJVUGWNUUGL-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001081188731 678055950 /nfs/dbraw/zinc/05/59/50/678055950.db2.gz JSGOHAIRTJRFGL-VXGBXAGGSA-N 1 1 310.354 -1.227 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001081188331 678055986 /nfs/dbraw/zinc/05/59/86/678055986.db2.gz FVJDKKNETBISPQ-VXGBXAGGSA-N 1 1 310.354 -1.227 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081368109 678071030 /nfs/dbraw/zinc/07/10/30/678071030.db2.gz KXFIFFRQYIHVLW-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001081371651 678072141 /nfs/dbraw/zinc/07/21/41/678072141.db2.gz QNIHLMTVWYLHOZ-QWRGUYRKSA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081387135 678072902 /nfs/dbraw/zinc/07/29/02/678072902.db2.gz CMNMEWWCQLYTJO-VXGBXAGGSA-N 1 1 322.369 -1.136 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ccn[nH]1 ZINC001081387135 678072904 /nfs/dbraw/zinc/07/29/04/678072904.db2.gz CMNMEWWCQLYTJO-VXGBXAGGSA-N 1 1 322.369 -1.136 20 0 DAADMO CO[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081437740 678078963 /nfs/dbraw/zinc/07/89/63/678078963.db2.gz FNHMHBNABIHUDR-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081503212 678080902 /nfs/dbraw/zinc/08/09/02/678080902.db2.gz OMCHRLNWJDDWRA-QWRGUYRKSA-N 1 1 323.353 -1.998 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081554327 678083307 /nfs/dbraw/zinc/08/33/07/678083307.db2.gz UWTGRZJXJOOBIM-ZYHUDNBSSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081554326 678083355 /nfs/dbraw/zinc/08/33/55/678083355.db2.gz UWTGRZJXJOOBIM-PWSUYJOCSA-N 1 1 324.385 -1.306 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1CCOCC1 ZINC001081555295 678083423 /nfs/dbraw/zinc/08/34/23/678083423.db2.gz SPXIIADMXSJQGG-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081553772 678083449 /nfs/dbraw/zinc/08/34/49/678083449.db2.gz NGOHCBLIYUWTFX-NXEZZACHSA-N 1 1 300.359 -2.253 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081554325 678083478 /nfs/dbraw/zinc/08/34/78/678083478.db2.gz UWTGRZJXJOOBIM-JQWIXIFHSA-N 1 1 324.385 -1.306 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O)C1CCC1 ZINC001081565425 678084247 /nfs/dbraw/zinc/08/42/47/678084247.db2.gz YORHUTGWAHBEMC-ONGXEEELSA-N 1 1 312.370 -2.109 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001081565929 678084709 /nfs/dbraw/zinc/08/47/09/678084709.db2.gz UUYCZCCHAHXIJS-HBNTYKKESA-N 1 1 313.358 -1.166 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081573072 678084760 /nfs/dbraw/zinc/08/47/60/678084760.db2.gz ZDMWDPPHTHHGBI-UWVGGRQHSA-N 1 1 314.386 -1.863 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)COC)C[C@H]1O ZINC001081631709 678088541 /nfs/dbraw/zinc/08/85/41/678088541.db2.gz FCXCORFOEPKPQE-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081634030 678089030 /nfs/dbraw/zinc/08/90/30/678089030.db2.gz BJLVRTJCAITKSY-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081634220 678089142 /nfs/dbraw/zinc/08/91/42/678089142.db2.gz DJFPAIGICLODST-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081634004 678089192 /nfs/dbraw/zinc/08/91/92/678089192.db2.gz BGBKQWYDFPFGMP-MNOVXSKESA-N 1 1 314.386 -1.861 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081634222 678089307 /nfs/dbraw/zinc/08/93/07/678089307.db2.gz DJFPAIGICLODST-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081590428 678089464 /nfs/dbraw/zinc/08/94/64/678089464.db2.gz RAQHACQNUXAZNC-CMPLNLGQSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590428 678089467 /nfs/dbraw/zinc/08/94/67/678089467.db2.gz RAQHACQNUXAZNC-CMPLNLGQSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590428 678089470 /nfs/dbraw/zinc/08/94/70/678089470.db2.gz RAQHACQNUXAZNC-CMPLNLGQSA-N 1 1 324.385 -1.306 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590877 678089765 /nfs/dbraw/zinc/08/97/65/678089765.db2.gz YAJZMRCILHKMMP-KOLCDFICSA-N 1 1 310.358 -1.695 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081607554 678090266 /nfs/dbraw/zinc/09/02/66/678090266.db2.gz SXBCBNWXCDRNIC-ZJUUUORDSA-N 1 1 309.326 -2.388 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673990 678093482 /nfs/dbraw/zinc/09/34/82/678093482.db2.gz UAKCIDACVYPZJL-IJLUTSLNSA-N 1 1 310.358 -1.475 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673475 678093574 /nfs/dbraw/zinc/09/35/74/678093574.db2.gz MBFJOJSJYZERCE-CHWSQXEVSA-N 1 1 324.385 -1.085 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001081644150 678094635 /nfs/dbraw/zinc/09/46/35/678094635.db2.gz OOBYGTOGPXTWCP-GHMZBOCLSA-N 1 1 322.369 -1.136 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001081644150 678094637 /nfs/dbraw/zinc/09/46/37/678094637.db2.gz OOBYGTOGPXTWCP-GHMZBOCLSA-N 1 1 322.369 -1.136 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C(N)=O)C1 ZINC001081715738 678098901 /nfs/dbraw/zinc/09/89/01/678098901.db2.gz IQMNOEFUKYEZEQ-ZJUUUORDSA-N 1 1 300.359 -2.253 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081717086 678099727 /nfs/dbraw/zinc/09/97/27/678099727.db2.gz TZXIPOXAFBASDJ-NXEZZACHSA-N 1 1 309.326 -2.388 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081718820 678100619 /nfs/dbraw/zinc/10/06/19/678100619.db2.gz IWMPUBNGKZCETF-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cccn2nnnc12 ZINC001081734232 678103141 /nfs/dbraw/zinc/10/31/41/678103141.db2.gz QZBIXDBDYFPUPB-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cccn2nnnc12 ZINC001081734194 678103149 /nfs/dbraw/zinc/10/31/49/678103149.db2.gz PESDMFGWXZTGAW-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cccn2nnnc12 ZINC001081734194 678103151 /nfs/dbraw/zinc/10/31/51/678103151.db2.gz PESDMFGWXZTGAW-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081773466 678103559 /nfs/dbraw/zinc/10/35/59/678103559.db2.gz BNOYIRPPAURAOQ-ZYHUDNBSSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081699074 678103623 /nfs/dbraw/zinc/10/36/23/678103623.db2.gz BBFQWFXWVGJETG-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001081773463 678103688 /nfs/dbraw/zinc/10/36/88/678103688.db2.gz BNOYIRPPAURAOQ-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081774109 678103980 /nfs/dbraw/zinc/10/39/80/678103980.db2.gz KKYKNKXXAHSOKL-QWRGUYRKSA-N 1 1 314.386 -1.861 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001081775257 678104055 /nfs/dbraw/zinc/10/40/55/678104055.db2.gz YMTMYUUWPJIORB-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001081808233 678106641 /nfs/dbraw/zinc/10/66/41/678106641.db2.gz DEIHDCFHYVKDFQ-VXGBXAGGSA-N 1 1 310.354 -1.408 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnc2n[nH]nc2c1 ZINC001081803950 678106695 /nfs/dbraw/zinc/10/66/95/678106695.db2.gz FQLZAUHNRWYFLX-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnc2n[nH]nc2c1 ZINC001081803950 678106696 /nfs/dbraw/zinc/10/66/96/678106696.db2.gz FQLZAUHNRWYFLX-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001081873131 678107240 /nfs/dbraw/zinc/10/72/40/678107240.db2.gz IFPRMOANVARGPB-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081873324 678107261 /nfs/dbraw/zinc/10/72/61/678107261.db2.gz PKSHAANCKSXHHZ-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cn2c(n1)COCC2 ZINC001081851587 678107679 /nfs/dbraw/zinc/10/76/79/678107679.db2.gz ZUQHABZOWQKWDZ-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cn2c(n1)COCC2 ZINC001081851587 678107680 /nfs/dbraw/zinc/10/76/80/678107680.db2.gz ZUQHABZOWQKWDZ-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)n1 ZINC001081929629 678108060 /nfs/dbraw/zinc/10/80/60/678108060.db2.gz XJKMRXGSJABTMZ-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)n1 ZINC001081929629 678108063 /nfs/dbraw/zinc/10/80/63/678108063.db2.gz XJKMRXGSJABTMZ-CHWSQXEVSA-N 1 1 312.370 -1.049 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001081893457 678108199 /nfs/dbraw/zinc/10/81/99/678108199.db2.gz ROPUPGWZZJRXBG-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001081972705 678108363 /nfs/dbraw/zinc/10/83/63/678108363.db2.gz KFDGVXHIKBMAMT-YNEHKIRRSA-N 1 1 323.397 -1.043 20 0 DAADMO CO[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949614 678108520 /nfs/dbraw/zinc/10/85/20/678108520.db2.gz YBNNIYJGUSACRN-JHJVBQTASA-N 1 1 321.381 -1.105 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001082023320 678108969 /nfs/dbraw/zinc/10/89/69/678108969.db2.gz HGJLBUARRJOLIA-IJLUTSLNSA-N 1 1 322.369 -1.770 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001082023320 678108970 /nfs/dbraw/zinc/10/89/70/678108970.db2.gz HGJLBUARRJOLIA-IJLUTSLNSA-N 1 1 322.369 -1.770 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082019926 678109388 /nfs/dbraw/zinc/10/93/88/678109388.db2.gz UWCROHRWSCSOSO-CHWSQXEVSA-N 1 1 310.398 -1.356 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001082021192 678109784 /nfs/dbraw/zinc/10/97/84/678109784.db2.gz XCHILFXNTZSSIX-OUAUKWLOSA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001082069359 678110291 /nfs/dbraw/zinc/11/02/91/678110291.db2.gz FVKDTFWLHXQXOV-MPKXVKKWSA-N 1 1 323.397 -1.272 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083000 678110737 /nfs/dbraw/zinc/11/07/37/678110737.db2.gz CYQMSXPASUWNAF-GMTAPVOTSA-N 1 1 323.357 -2.225 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083000 678110739 /nfs/dbraw/zinc/11/07/39/678110739.db2.gz CYQMSXPASUWNAF-GMTAPVOTSA-N 1 1 323.357 -2.225 20 0 DAADMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C(N)=O ZINC001082086695 678111076 /nfs/dbraw/zinc/11/10/76/678111076.db2.gz LIFCMCNSSVKEDM-VXGBXAGGSA-N 1 1 320.349 -1.414 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C(N)=O ZINC001082086695 678111077 /nfs/dbraw/zinc/11/10/77/678111077.db2.gz LIFCMCNSSVKEDM-VXGBXAGGSA-N 1 1 320.349 -1.414 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001082090094 678111291 /nfs/dbraw/zinc/11/12/91/678111291.db2.gz GKNKGQUBCSOUBM-GMTAPVOTSA-N 1 1 311.342 -2.455 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001082090094 678111293 /nfs/dbraw/zinc/11/12/93/678111293.db2.gz GKNKGQUBCSOUBM-GMTAPVOTSA-N 1 1 311.342 -2.455 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001082143636 678111746 /nfs/dbraw/zinc/11/17/46/678111746.db2.gz BRTYYBJJKFXSKC-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001082143079 678111853 /nfs/dbraw/zinc/11/18/53/678111853.db2.gz RITXRECQZWRQGR-XXILOJSOSA-N 1 1 310.354 -1.077 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001082186150 678112086 /nfs/dbraw/zinc/11/20/86/678112086.db2.gz HMTLJLLYGFNQDU-DJLDLDEBSA-N 1 1 300.315 -2.608 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001082196364 678112178 /nfs/dbraw/zinc/11/21/78/678112178.db2.gz GTJBIUCNRXZMRT-VXGBXAGGSA-N 1 1 324.381 -1.079 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001082224305 678112655 /nfs/dbraw/zinc/11/26/55/678112655.db2.gz CQCGZYCOHXCUHZ-GMTAPVOTSA-N 1 1 321.399 -2.172 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001082224305 678112658 /nfs/dbraw/zinc/11/26/58/678112658.db2.gz CQCGZYCOHXCUHZ-GMTAPVOTSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 ZINC001082245036 678113061 /nfs/dbraw/zinc/11/30/61/678113061.db2.gz WCGACALYKPWLTP-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001082236504 678113119 /nfs/dbraw/zinc/11/31/19/678113119.db2.gz OZRNUAASUBRYSJ-VXGBXAGGSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001082236504 678113121 /nfs/dbraw/zinc/11/31/21/678113121.db2.gz OZRNUAASUBRYSJ-VXGBXAGGSA-N 1 1 320.357 -1.464 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)ccc1=O ZINC001082248521 678113217 /nfs/dbraw/zinc/11/32/17/678113217.db2.gz PJEYYWPTLFZZEC-VXGBXAGGSA-N 1 1 310.354 -1.316 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1c(C)cc(C)nc1=O ZINC001082278189 678114106 /nfs/dbraw/zinc/11/41/06/678114106.db2.gz ZZRJNHLCIFRMGV-CHWSQXEVSA-N 1 1 324.381 -1.332 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001082333833 678114607 /nfs/dbraw/zinc/11/46/07/678114607.db2.gz BXHWHCVBVLTGGW-QJPTWQEYSA-N 1 1 322.369 -1.628 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001082333833 678114608 /nfs/dbraw/zinc/11/46/08/678114608.db2.gz BXHWHCVBVLTGGW-QJPTWQEYSA-N 1 1 322.369 -1.628 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001082351267 678115003 /nfs/dbraw/zinc/11/50/03/678115003.db2.gz LNOLUHPVVHBJBK-UPJWGTAASA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001082351267 678115004 /nfs/dbraw/zinc/11/50/04/678115004.db2.gz LNOLUHPVVHBJBK-UPJWGTAASA-N 1 1 315.370 -1.959 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](OC)C1 ZINC001082360492 678115763 /nfs/dbraw/zinc/11/57/63/678115763.db2.gz DUZPLCZQJBBCJQ-NXEZZACHSA-N 1 1 314.342 -2.000 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362498 678115833 /nfs/dbraw/zinc/11/58/33/678115833.db2.gz JDPABQWZTKGGRL-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001082362576 678115939 /nfs/dbraw/zinc/11/59/39/678115939.db2.gz MXUKOQWAJLGXAL-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368571 678116195 /nfs/dbraw/zinc/11/61/95/678116195.db2.gz HETQULJFZZVNPF-QJPTWQEYSA-N 1 1 323.401 -1.523 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001082375316 678116207 /nfs/dbraw/zinc/11/62/07/678116207.db2.gz ONNJHAPYAXXMGE-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1 ZINC001082381948 678116617 /nfs/dbraw/zinc/11/66/17/678116617.db2.gz HLBGZPKAPMAQSY-QJPTWQEYSA-N 1 1 309.370 -1.352 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)C1 ZINC001082379221 678116762 /nfs/dbraw/zinc/11/67/62/678116762.db2.gz NRBXNZBLPXXLQX-UTUOFQBUSA-N 1 1 314.386 -1.992 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2OC)C1 ZINC001082379221 678116763 /nfs/dbraw/zinc/11/67/63/678116763.db2.gz NRBXNZBLPXXLQX-UTUOFQBUSA-N 1 1 314.386 -1.992 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001082381217 678116784 /nfs/dbraw/zinc/11/67/84/678116784.db2.gz BCWLBEUFGLPSSB-YUSALJHKSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC001082381947 678116792 /nfs/dbraw/zinc/11/67/92/678116792.db2.gz HLBGZPKAPMAQSY-IJLUTSLNSA-N 1 1 309.370 -1.352 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cccc(C(N)=O)n1 ZINC001082389372 678116814 /nfs/dbraw/zinc/11/68/14/678116814.db2.gz LFULFVNHNZPGTQ-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 ZINC001082402633 678117079 /nfs/dbraw/zinc/11/70/79/678117079.db2.gz YGRGOBFWYRJGNA-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 ZINC001082402456 678117155 /nfs/dbraw/zinc/11/71/55/678117155.db2.gz NKOWGHTUCXINBC-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(C(N)=O)ccn1 ZINC001082402456 678117157 /nfs/dbraw/zinc/11/71/57/678117157.db2.gz NKOWGHTUCXINBC-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082430637 678117162 /nfs/dbraw/zinc/11/71/62/678117162.db2.gz VWUAIXWOEDTVTE-MXWKQRLJSA-N 1 1 310.358 -1.438 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082497098 678117558 /nfs/dbraw/zinc/11/75/58/678117558.db2.gz WRWLYGVFRICYKJ-FBIMIBRVSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082472488 678117659 /nfs/dbraw/zinc/11/76/59/678117659.db2.gz NECPPKHUIRBFRM-GMTAPVOTSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082448576 678117668 /nfs/dbraw/zinc/11/76/68/678117668.db2.gz VSSRWYCJCFZHQY-OPRDCNLKSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082497099 678117718 /nfs/dbraw/zinc/11/77/18/678117718.db2.gz WRWLYGVFRICYKJ-IEBDPFPHSA-N 1 1 308.342 -1.140 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082542168 678118042 /nfs/dbraw/zinc/11/80/42/678118042.db2.gz YLYAVFCIGPYDOZ-OUAUKWLOSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C)c1nnnn1C ZINC001082535026 678118055 /nfs/dbraw/zinc/11/80/55/678118055.db2.gz NHINUTGFWOGPOL-GMTAPVOTSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082683069 678118759 /nfs/dbraw/zinc/11/87/59/678118759.db2.gz SACWQJPIPNDREN-OPRDCNLKSA-N 1 1 307.358 -1.717 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082683068 678118787 /nfs/dbraw/zinc/11/87/87/678118787.db2.gz SACWQJPIPNDREN-KXUCPTDWSA-N 1 1 307.358 -1.717 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082683739 678118893 /nfs/dbraw/zinc/11/88/93/678118893.db2.gz VJYOHRUSMNROLC-GMTAPVOTSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082683694 678118922 /nfs/dbraw/zinc/11/89/22/678118922.db2.gz SQOKLACULTVSNX-YUSALJHKSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001082682709 678118941 /nfs/dbraw/zinc/11/89/41/678118941.db2.gz DXLHLVGUAMDTKP-GMTAPVOTSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082700088 678119202 /nfs/dbraw/zinc/11/92/02/678119202.db2.gz YYAOONGLAMRPNB-GMTAPVOTSA-N 1 1 321.385 -1.233 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C)nn1 ZINC001082713846 678119226 /nfs/dbraw/zinc/11/92/26/678119226.db2.gz MGNPVNFGUUVHJF-YUSALJHKSA-N 1 1 321.385 -1.084 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082714773 678119359 /nfs/dbraw/zinc/11/93/59/678119359.db2.gz AJHCPRHWLSZKJY-KXUCPTDWSA-N 1 1 307.358 -1.567 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082995159 678120508 /nfs/dbraw/zinc/12/05/08/678120508.db2.gz RZFOYGXLXKQGGD-GRYCIOLGSA-N 1 1 310.358 -1.380 20 0 DAADMO CC(=O)N1CCO[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]21 ZINC001082971730 678120546 /nfs/dbraw/zinc/12/05/46/678120546.db2.gz SQXKDQDLAVMDQK-NWDGAFQWSA-N 1 1 310.354 -1.140 20 0 DAADMO O=C(C1=COCCO1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082990225 678120553 /nfs/dbraw/zinc/12/05/53/678120553.db2.gz SUWILYUOWBEEFG-GRYCIOLGSA-N 1 1 323.349 -1.325 20 0 DAADMO O=C(C1=COCCO1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082990225 678120555 /nfs/dbraw/zinc/12/05/55/678120555.db2.gz SUWILYUOWBEEFG-GRYCIOLGSA-N 1 1 323.349 -1.325 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001082996283 678120559 /nfs/dbraw/zinc/12/05/59/678120559.db2.gz XJDQGEAMGPOOMX-RWMBFGLXSA-N 1 1 322.369 -1.379 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083000414 678121032 /nfs/dbraw/zinc/12/10/32/678121032.db2.gz KYOQWZHRUIKYSG-RWMBFGLXSA-N 1 1 319.365 -1.317 20 0 DAADMO O=C(Cn1cccn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083000414 678121033 /nfs/dbraw/zinc/12/10/33/678121033.db2.gz KYOQWZHRUIKYSG-RWMBFGLXSA-N 1 1 319.365 -1.317 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030843 678121597 /nfs/dbraw/zinc/12/15/97/678121597.db2.gz GJSDPKZHZLMWLL-QWHCGFSZSA-N 1 1 321.381 -1.250 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083030572 678121617 /nfs/dbraw/zinc/12/16/17/678121617.db2.gz SCXDRBFWFOUHIY-LPEHRKFASA-N 1 1 324.337 -2.421 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)nn1 ZINC001083072155 678121645 /nfs/dbraw/zinc/12/16/45/678121645.db2.gz URYVPVMSZMAJON-SDDRHHMPSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)nn1 ZINC001083072155 678121647 /nfs/dbraw/zinc/12/16/47/678121647.db2.gz URYVPVMSZMAJON-SDDRHHMPSA-N 1 1 320.353 -1.771 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001083030571 678121814 /nfs/dbraw/zinc/12/18/14/678121814.db2.gz SCXDRBFWFOUHIY-KXUCPTDWSA-N 1 1 324.337 -2.421 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)c1 ZINC001083050194 678122017 /nfs/dbraw/zinc/12/20/17/678122017.db2.gz BYRVBYQUHKXBEG-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)c1 ZINC001083050194 678122020 /nfs/dbraw/zinc/12/20/20/678122020.db2.gz BYRVBYQUHKXBEG-RWMBFGLXSA-N 1 1 319.365 -1.166 20 0 DAADMO O=C(c1cncnc1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083058858 678122648 /nfs/dbraw/zinc/12/26/48/678122648.db2.gz BJXMJGWDSUOJTC-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cncnc1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083058858 678122651 /nfs/dbraw/zinc/12/26/51/678122651.db2.gz BJXMJGWDSUOJTC-FRRDWIJNSA-N 1 1 317.349 -1.110 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]32)C1 ZINC001083063649 678122756 /nfs/dbraw/zinc/12/27/56/678122756.db2.gz VOUFNQZVOVHPLR-DDTOSNHZSA-N 1 1 311.382 -1.243 20 0 DAADMO O=C(c1cncnc1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083058859 678122787 /nfs/dbraw/zinc/12/27/87/678122787.db2.gz BJXMJGWDSUOJTC-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cncnc1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083058859 678122788 /nfs/dbraw/zinc/12/27/88/678122788.db2.gz BJXMJGWDSUOJTC-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)cc1=O ZINC001083110341 678122803 /nfs/dbraw/zinc/12/28/03/678122803.db2.gz YKYUYBBCBLJPTN-QWHCGFSZSA-N 1 1 322.365 -1.312 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083239 678123020 /nfs/dbraw/zinc/12/30/20/678123020.db2.gz KLUCQNHSEQCZIG-SDDRHHMPSA-N 1 1 310.358 -1.380 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083112168 678123166 /nfs/dbraw/zinc/12/31/66/678123166.db2.gz POAIUFNRUMIXGX-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1=O ZINC001083115076 678123267 /nfs/dbraw/zinc/12/32/67/678123267.db2.gz OTTCFNCOGYLAIJ-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1=O ZINC001083115076 678123268 /nfs/dbraw/zinc/12/32/68/678123268.db2.gz OTTCFNCOGYLAIJ-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(CC(N)=O)C[C@@H]32)CC[N@H+]1C ZINC001083086350 678123473 /nfs/dbraw/zinc/12/34/73/678123473.db2.gz LPDWQLMQNJYHGZ-FVCCEPFGSA-N 1 1 310.398 -1.277 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCS3(=O)=O)[C@H]2C1 ZINC001083099343 678123510 /nfs/dbraw/zinc/12/35/10/678123510.db2.gz FFYSCOLEKDTPGS-NWDGAFQWSA-N 1 1 317.411 -1.047 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083094684 678123613 /nfs/dbraw/zinc/12/36/13/678123613.db2.gz RTTLDKNXMSJDQC-GRYCIOLGSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083094684 678123615 /nfs/dbraw/zinc/12/36/15/678123615.db2.gz RTTLDKNXMSJDQC-GRYCIOLGSA-N 1 1 320.353 -1.922 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083108647 678123966 /nfs/dbraw/zinc/12/39/66/678123966.db2.gz HZJLQFXGLWEXEO-SDDRHHMPSA-N 1 1 322.365 -1.094 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083128491 678123979 /nfs/dbraw/zinc/12/39/79/678123979.db2.gz NSXZZLIRWGSXPD-SDDRHHMPSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(c1cn[nH]n1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083128491 678123981 /nfs/dbraw/zinc/12/39/81/678123981.db2.gz NSXZZLIRWGSXPD-SDDRHHMPSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083130598 678124122 /nfs/dbraw/zinc/12/41/22/678124122.db2.gz ZQFIHKSETYBLJI-NWDGAFQWSA-N 1 1 312.370 -1.694 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083130598 678124124 /nfs/dbraw/zinc/12/41/24/678124124.db2.gz ZQFIHKSETYBLJI-NWDGAFQWSA-N 1 1 312.370 -1.694 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)ncc1=O ZINC001083148681 678124375 /nfs/dbraw/zinc/12/43/75/678124375.db2.gz AGGOLYACDXKSMD-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)ncc1=O ZINC001083148681 678124377 /nfs/dbraw/zinc/12/43/77/678124377.db2.gz AGGOLYACDXKSMD-NWDGAFQWSA-N 1 1 308.338 -1.702 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083162387 678124795 /nfs/dbraw/zinc/12/47/95/678124795.db2.gz SHMHCPNAQLHNAY-UONOGXRCSA-N 1 1 322.409 -1.260 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)n1 ZINC001083167456 678124800 /nfs/dbraw/zinc/12/48/00/678124800.db2.gz PJSNBRVVXJYQKV-GRYCIOLGSA-N 1 1 322.369 -1.228 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083177720 678125222 /nfs/dbraw/zinc/12/52/22/678125222.db2.gz JYOLEYBQZJWVCT-NWDGAFQWSA-N 1 1 308.338 -1.323 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083179678 678125276 /nfs/dbraw/zinc/12/52/76/678125276.db2.gz GWWCOIWKPQAZKY-OUAUKWLOSA-N 1 1 300.334 -1.061 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083170546 678125357 /nfs/dbraw/zinc/12/53/57/678125357.db2.gz JDXFGPUVVDBRGN-WZBKEBKWSA-N 1 1 321.377 -1.321 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083170546 678125358 /nfs/dbraw/zinc/12/53/58/678125358.db2.gz JDXFGPUVVDBRGN-WZBKEBKWSA-N 1 1 321.377 -1.321 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001065328795 678127816 /nfs/dbraw/zinc/12/78/16/678127816.db2.gz YTFGRZCIWXIZJV-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065405731 678128745 /nfs/dbraw/zinc/12/87/45/678128745.db2.gz BKOXPCNGBRTDMO-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CCO1 ZINC001065409862 678129369 /nfs/dbraw/zinc/12/93/69/678129369.db2.gz FWBZIFYBPGLBQM-ABAIWWIYSA-N 1 1 324.381 -1.699 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065549953 678130984 /nfs/dbraw/zinc/13/09/84/678130984.db2.gz ATHVUJBJCCRTHH-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC001065550588 678131334 /nfs/dbraw/zinc/13/13/34/678131334.db2.gz LHIQCVFSDPNXSW-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552942 678132624 /nfs/dbraw/zinc/13/26/24/678132624.db2.gz QVKSBSVMBYYSFD-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001065571965 678133436 /nfs/dbraw/zinc/13/34/36/678133436.db2.gz GIZHIZZJMXRRTJ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001065571965 678133438 /nfs/dbraw/zinc/13/34/38/678133438.db2.gz GIZHIZZJMXRRTJ-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001065612130 678134402 /nfs/dbraw/zinc/13/44/02/678134402.db2.gz QNEGCUDJFKOTCO-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(N1CCN2[C@H](CNS2(=O)=O)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000886180278 678140498 /nfs/dbraw/zinc/14/04/98/678140498.db2.gz MTCPFRDVTLWMLK-YPMHNXCESA-N 1 1 314.411 -1.167 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052224 678144623 /nfs/dbraw/zinc/14/46/23/678144623.db2.gz FHAFZUYKOSLVBS-GWCFXTLKSA-N 1 1 307.358 -1.529 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052227 678144630 /nfs/dbraw/zinc/14/46/30/678144630.db2.gz FHAFZUYKOSLVBS-ZWNOBZJWSA-N 1 1 307.358 -1.529 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041053106 678144733 /nfs/dbraw/zinc/14/47/33/678144733.db2.gz HBYVDUNFJMWPTR-RISCZKNCSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041053104 678144743 /nfs/dbraw/zinc/14/47/43/678144743.db2.gz HBYVDUNFJMWPTR-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001072068948 678151960 /nfs/dbraw/zinc/15/19/60/678151960.db2.gz DGJDKZOKSKLTAM-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001072068948 678151962 /nfs/dbraw/zinc/15/19/62/678151962.db2.gz DGJDKZOKSKLTAM-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001072068945 678152209 /nfs/dbraw/zinc/15/22/09/678152209.db2.gz DGJDKZOKSKLTAM-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001072068945 678152210 /nfs/dbraw/zinc/15/22/10/678152210.db2.gz DGJDKZOKSKLTAM-DTWKUNHWSA-N 1 1 323.353 -1.446 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(N)=O)C1 ZINC001072136072 678153309 /nfs/dbraw/zinc/15/33/09/678153309.db2.gz QSIPXLDAGICYNO-KOLCDFICSA-N 1 1 322.369 -1.177 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001072160475 678153416 /nfs/dbraw/zinc/15/34/16/678153416.db2.gz DYRQGYZCUDLXOP-RYUDHWBXSA-N 1 1 323.401 -1.024 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072162044 678153806 /nfs/dbraw/zinc/15/38/06/678153806.db2.gz UPDXOIBUKPFETQ-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001072227250 678154035 /nfs/dbraw/zinc/15/40/35/678154035.db2.gz AUXOJOFWGQPKPE-UWVGGRQHSA-N 1 1 309.374 -1.340 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072286276 678155386 /nfs/dbraw/zinc/15/53/86/678155386.db2.gz IHSJTDFRIXKUQV-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)CNC(N)=O)[C@@H](C)C1 ZINC001072282355 678155411 /nfs/dbraw/zinc/15/54/11/678155411.db2.gz DNSVHAGVTHGONX-QWRGUYRKSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001072432598 678156330 /nfs/dbraw/zinc/15/63/30/678156330.db2.gz KMXRUROFYLLILR-WDEREUQCSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001072432598 678156334 /nfs/dbraw/zinc/15/63/34/678156334.db2.gz KMXRUROFYLLILR-WDEREUQCSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1ncn[nH]1 ZINC001072432596 678156400 /nfs/dbraw/zinc/15/64/00/678156400.db2.gz KMXRUROFYLLILR-MNOVXSKESA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1nc[nH]n1 ZINC001072432596 678156404 /nfs/dbraw/zinc/15/64/04/678156404.db2.gz KMXRUROFYLLILR-MNOVXSKESA-N 1 1 324.385 -1.040 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072449456 678156940 /nfs/dbraw/zinc/15/69/40/678156940.db2.gz UNGPMDFRQIBKNJ-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072451420 678157033 /nfs/dbraw/zinc/15/70/33/678157033.db2.gz MXJIATXMRIWOFB-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001072478534 678157471 /nfs/dbraw/zinc/15/74/71/678157471.db2.gz KSALKBSGBODVJU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001072565492 678158725 /nfs/dbraw/zinc/15/87/25/678158725.db2.gz BYPBWSBIDXPFIU-UHFFFAOYSA-N 1 1 309.370 -1.579 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072571547 678158736 /nfs/dbraw/zinc/15/87/36/678158736.db2.gz VLOZWGOJVBWOPQ-LBPRGKRZSA-N 1 1 321.381 -1.346 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072577768 678158912 /nfs/dbraw/zinc/15/89/12/678158912.db2.gz BXOZJOHFRCHDCV-NWDGAFQWSA-N 1 1 310.398 -1.275 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072578254 678158996 /nfs/dbraw/zinc/15/89/96/678158996.db2.gz IMNQVTXQQUWAOP-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001072577769 678159086 /nfs/dbraw/zinc/15/90/86/678159086.db2.gz BXOZJOHFRCHDCV-RYUDHWBXSA-N 1 1 310.398 -1.275 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072615681 678159734 /nfs/dbraw/zinc/15/97/34/678159734.db2.gz XRNFGBIHHDYHNR-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645160 678161523 /nfs/dbraw/zinc/16/15/23/678161523.db2.gz COBIMIZVHSKNQU-VXGBXAGGSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001072646892 678161587 /nfs/dbraw/zinc/16/15/87/678161587.db2.gz NEHSXXIRMDBLSH-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 ZINC001072666913 678162026 /nfs/dbraw/zinc/16/20/26/678162026.db2.gz MKSJOFWYFSLJLO-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3ccnn3)C2)C1 ZINC001072666913 678162028 /nfs/dbraw/zinc/16/20/28/678162028.db2.gz MKSJOFWYFSLJLO-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686340 678162347 /nfs/dbraw/zinc/16/23/47/678162347.db2.gz JTKHAJUFBRXEAH-LLVKDONJSA-N 1 1 320.353 -1.042 20 0 DAADMO Cn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686340 678162350 /nfs/dbraw/zinc/16/23/50/678162350.db2.gz JTKHAJUFBRXEAH-LLVKDONJSA-N 1 1 320.353 -1.042 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1)N1CCC1 ZINC001072686857 678162445 /nfs/dbraw/zinc/16/24/45/678162445.db2.gz YSHRDFSPZLLAEJ-LLVKDONJSA-N 1 1 322.365 -1.139 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686228 678162454 /nfs/dbraw/zinc/16/24/54/678162454.db2.gz GPUSRXRSJNTJCD-UWVGGRQHSA-N 1 1 310.354 -1.107 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC001072752729 678163436 /nfs/dbraw/zinc/16/34/36/678163436.db2.gz YTMMLBRQROLTSH-UHFFFAOYSA-N 1 1 321.341 -2.603 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC001072752729 678163438 /nfs/dbraw/zinc/16/34/38/678163438.db2.gz YTMMLBRQROLTSH-UHFFFAOYSA-N 1 1 321.341 -2.603 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC001072752602 678163566 /nfs/dbraw/zinc/16/35/66/678163566.db2.gz SEIKSHCLMBVFPJ-UHFFFAOYSA-N 1 1 322.369 -1.442 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072777147 678163991 /nfs/dbraw/zinc/16/39/91/678163991.db2.gz ZAAAOSLKAPUMDK-UHFFFAOYSA-N 1 1 302.396 -1.052 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC001072802322 678164447 /nfs/dbraw/zinc/16/44/47/678164447.db2.gz XAKMEDXDKSLRFW-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC001072802322 678164450 /nfs/dbraw/zinc/16/44/50/678164450.db2.gz XAKMEDXDKSLRFW-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072780866 678164488 /nfs/dbraw/zinc/16/44/88/678164488.db2.gz SLZJXRGTUFPYFO-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795593 678164545 /nfs/dbraw/zinc/16/45/45/678164545.db2.gz YUAPYOOSVAJFBL-NSHDSACASA-N 1 1 308.382 -1.255 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)C1 ZINC001072795593 678164548 /nfs/dbraw/zinc/16/45/48/678164548.db2.gz YUAPYOOSVAJFBL-NSHDSACASA-N 1 1 308.382 -1.255 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818201 678164923 /nfs/dbraw/zinc/16/49/23/678164923.db2.gz OZEAIVOOACVXQR-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3cc(=O)n(C)cn3)C2)C1 ZINC001072824981 678164952 /nfs/dbraw/zinc/16/49/52/678164952.db2.gz ONRBOEOVKOHUCK-JTQLQIEISA-N 1 1 319.365 -1.198 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072831813 678164956 /nfs/dbraw/zinc/16/49/56/678164956.db2.gz WBYZUDPBEZXOPD-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822368 678164983 /nfs/dbraw/zinc/16/49/83/678164983.db2.gz DCEVCPBMHQUKMH-VIFPVBQESA-N 1 1 323.353 -2.135 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822368 678164985 /nfs/dbraw/zinc/16/49/85/678164985.db2.gz DCEVCPBMHQUKMH-VIFPVBQESA-N 1 1 323.353 -2.135 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822634 678165040 /nfs/dbraw/zinc/16/50/40/678165040.db2.gz QRALYAYDHRXVPM-BDAKNGLRSA-N 1 1 323.353 -2.007 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCNC(=O)C1 ZINC001072851305 678165056 /nfs/dbraw/zinc/16/50/56/678165056.db2.gz QMSBNIQBAFRULL-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCNC(=O)C1 ZINC001072851305 678165057 /nfs/dbraw/zinc/16/50/57/678165057.db2.gz QMSBNIQBAFRULL-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072818342 678165069 /nfs/dbraw/zinc/16/50/69/678165069.db2.gz WVCBOFHZBLGPIN-UHFFFAOYSA-N 1 1 311.382 -1.238 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001072831514 678165086 /nfs/dbraw/zinc/16/50/86/678165086.db2.gz RJPJCDQWCMCJPP-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822864 678165101 /nfs/dbraw/zinc/16/51/01/678165101.db2.gz VZPAMGBKGIMUQQ-UWVGGRQHSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC001072810431 678165105 /nfs/dbraw/zinc/16/51/05/678165105.db2.gz ZHGCGNWTSGNDOY-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818048 678165249 /nfs/dbraw/zinc/16/52/49/678165249.db2.gz IFYSZRBGPKLPAY-UHFFFAOYSA-N 1 1 324.381 -1.875 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3=O)C2)C1 ZINC001072818048 678165251 /nfs/dbraw/zinc/16/52/51/678165251.db2.gz IFYSZRBGPKLPAY-UHFFFAOYSA-N 1 1 324.381 -1.875 20 0 DAADMO CC[C@@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCNC1=O ZINC001072826302 678165272 /nfs/dbraw/zinc/16/52/72/678165272.db2.gz PTOQSTVJDTXPEI-OAHLLOKOSA-N 1 1 308.382 -1.078 20 0 DAADMO CC[C@@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCNC1=O ZINC001072826302 678165273 /nfs/dbraw/zinc/16/52/73/678165273.db2.gz PTOQSTVJDTXPEI-OAHLLOKOSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001072831513 678165279 /nfs/dbraw/zinc/16/52/79/678165279.db2.gz RJPJCDQWCMCJPP-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884221 678165464 /nfs/dbraw/zinc/16/54/64/678165464.db2.gz OGRVLFKFPJKCMR-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC(=O)N1 ZINC001072884221 678165466 /nfs/dbraw/zinc/16/54/66/678165466.db2.gz OGRVLFKFPJKCMR-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881010 678165606 /nfs/dbraw/zinc/16/56/06/678165606.db2.gz AEEGMHSLZSWPBK-NSHDSACASA-N 1 1 309.370 -1.503 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072886156 678165633 /nfs/dbraw/zinc/16/56/33/678165633.db2.gz IDPHYOILBXKZER-RYUDHWBXSA-N 1 1 320.393 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001072881009 678165657 /nfs/dbraw/zinc/16/56/57/678165657.db2.gz AEEGMHSLZSWPBK-LLVKDONJSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001072895031 678165662 /nfs/dbraw/zinc/16/56/62/678165662.db2.gz XVXAMLSIZDWZCB-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC001072886567 678165679 /nfs/dbraw/zinc/16/56/79/678165679.db2.gz WGPBBXOEYACQEO-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)C1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072902839 678166150 /nfs/dbraw/zinc/16/61/50/678166150.db2.gz CLQVFPRLUMYYKG-NSHDSACASA-N 1 1 302.396 -1.052 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)C1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072902839 678166151 /nfs/dbraw/zinc/16/61/51/678166151.db2.gz CLQVFPRLUMYYKG-NSHDSACASA-N 1 1 302.396 -1.052 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC(=O)NC1 ZINC001072908966 678166241 /nfs/dbraw/zinc/16/62/41/678166241.db2.gz FCTUUSFBNIJGSO-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC(=O)NC1 ZINC001072908966 678166242 /nfs/dbraw/zinc/16/62/42/678166242.db2.gz FCTUUSFBNIJGSO-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072924396 678166287 /nfs/dbraw/zinc/16/62/87/678166287.db2.gz AUSOFTQXWOUEON-NSHDSACASA-N 1 1 317.349 -1.194 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072938464 678166652 /nfs/dbraw/zinc/16/66/52/678166652.db2.gz WCKREDKLADMXPS-JTQLQIEISA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CNC(=O)N4)C3)C2)C1=O ZINC001072931447 678166683 /nfs/dbraw/zinc/16/66/83/678166683.db2.gz GMXHEHCERCPPRE-GHMZBOCLSA-N 1 1 321.381 -1.567 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931811 678166838 /nfs/dbraw/zinc/16/68/38/678166838.db2.gz LCQJUHPDHAVKGJ-UWVGGRQHSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072987218 678167614 /nfs/dbraw/zinc/16/76/14/678167614.db2.gz INSFOFVTHCCWDI-NEPJUHHUSA-N 1 1 320.393 -1.126 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057041 678167708 /nfs/dbraw/zinc/16/77/08/678167708.db2.gz FSVRFUYHEGCSEX-JTQLQIEISA-N 1 1 309.366 -1.046 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2)[C@H]1CCC(=O)N1 ZINC001073005910 678167741 /nfs/dbraw/zinc/16/77/41/678167741.db2.gz JLHPKTZFJQTZMJ-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2)[C@H]1CCC(=O)N1 ZINC001073005910 678167744 /nfs/dbraw/zinc/16/77/44/678167744.db2.gz JLHPKTZFJQTZMJ-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020106 678167900 /nfs/dbraw/zinc/16/79/00/678167900.db2.gz KRQFCSCIJIRUHE-QMMMGPOBSA-N 1 1 309.326 -2.396 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020106 678167902 /nfs/dbraw/zinc/16/79/02/678167902.db2.gz KRQFCSCIJIRUHE-QMMMGPOBSA-N 1 1 309.326 -2.396 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c(=O)n(C)c1=O ZINC001073029801 678167915 /nfs/dbraw/zinc/16/79/15/678167915.db2.gz HYUIKBBYUBIWSP-UHFFFAOYSA-N 1 1 322.365 -1.776 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073105904 678168141 /nfs/dbraw/zinc/16/81/41/678168141.db2.gz FFMBUQWPXFELRD-UHFFFAOYSA-N 1 1 310.354 -1.545 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057285 678168219 /nfs/dbraw/zinc/16/82/19/678168219.db2.gz QMZXKOAJZXDLTG-UHFFFAOYSA-N 1 1 322.365 -1.681 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057285 678168220 /nfs/dbraw/zinc/16/82/20/678168220.db2.gz QMZXKOAJZXDLTG-UHFFFAOYSA-N 1 1 322.365 -1.681 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060933 678168226 /nfs/dbraw/zinc/16/82/26/678168226.db2.gz RCEDUVJSHKIUSY-UHFFFAOYSA-N 1 1 323.353 -2.182 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060933 678168227 /nfs/dbraw/zinc/16/82/27/678168227.db2.gz RCEDUVJSHKIUSY-UHFFFAOYSA-N 1 1 323.353 -2.182 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073124293 678168637 /nfs/dbraw/zinc/16/86/37/678168637.db2.gz GJVQCMULPPMNKY-UHFFFAOYSA-N 1 1 318.337 -1.442 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073136677 678168697 /nfs/dbraw/zinc/16/86/97/678168697.db2.gz XMSNBGMEEBGQER-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073137695 678168849 /nfs/dbraw/zinc/16/88/49/678168849.db2.gz FWTAACMRUGXJIG-WDEREUQCSA-N 1 1 306.366 -1.312 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c(=O)n1C ZINC001073158408 678169243 /nfs/dbraw/zinc/16/92/43/678169243.db2.gz VTTDXZFUFGNSST-UHFFFAOYSA-N 1 1 309.370 -1.583 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073158244 678169282 /nfs/dbraw/zinc/16/92/82/678169282.db2.gz RYRSJAPIOYHRBI-LBPRGKRZSA-N 1 1 324.381 -1.747 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073158244 678169283 /nfs/dbraw/zinc/16/92/83/678169283.db2.gz RYRSJAPIOYHRBI-LBPRGKRZSA-N 1 1 324.381 -1.747 20 0 DAADMO Cc1nn(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)c(=O)n1C ZINC001073158293 678169293 /nfs/dbraw/zinc/16/92/93/678169293.db2.gz UHWUXLWGNNYFEQ-UHFFFAOYSA-N 1 1 323.397 -1.193 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073158243 678169339 /nfs/dbraw/zinc/16/93/39/678169339.db2.gz RYRSJAPIOYHRBI-GFCCVEGCSA-N 1 1 324.381 -1.747 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073158243 678169341 /nfs/dbraw/zinc/16/93/41/678169341.db2.gz RYRSJAPIOYHRBI-GFCCVEGCSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412161 678170576 /nfs/dbraw/zinc/17/05/76/678170576.db2.gz CXTFAHCAVAUGMW-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001073412161 678170577 /nfs/dbraw/zinc/17/05/77/678170577.db2.gz CXTFAHCAVAUGMW-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3C(=O)CN(C)C3=O)C2)C1 ZINC001073412137 678170636 /nfs/dbraw/zinc/17/06/36/678170636.db2.gz BZJTXSNTCRPYMF-LLVKDONJSA-N 1 1 324.381 -1.205 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)nn1 ZINC001073457324 678171173 /nfs/dbraw/zinc/17/11/73/678171173.db2.gz LCAJZOBHYJWKMF-UHFFFAOYSA-N 1 1 321.341 -2.603 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)nn1 ZINC001073457324 678171175 /nfs/dbraw/zinc/17/11/75/678171175.db2.gz LCAJZOBHYJWKMF-UHFFFAOYSA-N 1 1 321.341 -2.603 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439133 678171257 /nfs/dbraw/zinc/17/12/57/678171257.db2.gz LOLMJZKOUQKFRM-LLVKDONJSA-N 1 1 317.411 -1.141 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073439034 678171518 /nfs/dbraw/zinc/17/15/18/678171518.db2.gz IAWFCVLASCSXRE-JTQLQIEISA-N 1 1 303.384 -1.795 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073438827 678171528 /nfs/dbraw/zinc/17/15/28/678171528.db2.gz CETCAWQXFTXGLJ-LLVKDONJSA-N 1 1 317.411 -1.405 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001073457389 678171534 /nfs/dbraw/zinc/17/15/34/678171534.db2.gz NOJBSYKWYYQVAA-JTQLQIEISA-N 1 1 322.369 -1.708 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439237 678171655 /nfs/dbraw/zinc/17/16/55/678171655.db2.gz QOUMSTFXACQYOQ-SECBINFHSA-N 1 1 316.383 -2.302 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)C1 ZINC001073439237 678171659 /nfs/dbraw/zinc/17/16/59/678171659.db2.gz QOUMSTFXACQYOQ-SECBINFHSA-N 1 1 316.383 -2.302 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001073491913 678172019 /nfs/dbraw/zinc/17/20/19/678172019.db2.gz MTRLVRQOFNEUOS-UWVGGRQHSA-N 1 1 322.365 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001073467674 678172042 /nfs/dbraw/zinc/17/20/42/678172042.db2.gz CGOCWPIUXHCGLL-UHFFFAOYSA-N 1 1 321.381 -1.382 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)c3cn(C)c(=O)n3C)C2)C1 ZINC001073467674 678172044 /nfs/dbraw/zinc/17/20/44/678172044.db2.gz CGOCWPIUXHCGLL-UHFFFAOYSA-N 1 1 321.381 -1.382 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073495779 678172185 /nfs/dbraw/zinc/17/21/85/678172185.db2.gz SSRSULOBDNDRSI-LLVKDONJSA-N 1 1 309.366 -1.044 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001073480440 678172244 /nfs/dbraw/zinc/17/22/44/678172244.db2.gz UJOJVTGPKVKWSE-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC001073480440 678172245 /nfs/dbraw/zinc/17/22/45/678172245.db2.gz UJOJVTGPKVKWSE-UHFFFAOYSA-N 1 1 317.349 -1.186 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527197 678172604 /nfs/dbraw/zinc/17/26/04/678172604.db2.gz WHGWQWBTHBAIHX-VHSXEESVSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527197 678172606 /nfs/dbraw/zinc/17/26/06/678172606.db2.gz WHGWQWBTHBAIHX-VHSXEESVSA-N 1 1 323.353 -1.123 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073519099 678172646 /nfs/dbraw/zinc/17/26/46/678172646.db2.gz FEKZOMUVGDWVDE-LLVKDONJSA-N 1 1 313.354 -1.172 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073519099 678172647 /nfs/dbraw/zinc/17/26/47/678172647.db2.gz FEKZOMUVGDWVDE-LLVKDONJSA-N 1 1 313.354 -1.172 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073519100 678172667 /nfs/dbraw/zinc/17/26/67/678172667.db2.gz FEKZOMUVGDWVDE-NSHDSACASA-N 1 1 313.354 -1.172 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073519100 678172669 /nfs/dbraw/zinc/17/26/69/678172669.db2.gz FEKZOMUVGDWVDE-NSHDSACASA-N 1 1 313.354 -1.172 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073526665 678172713 /nfs/dbraw/zinc/17/27/13/678172713.db2.gz HYFSPTMRDIYPSQ-GHMZBOCLSA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C2=COCCO2)C1 ZINC001073526665 678172715 /nfs/dbraw/zinc/17/27/15/678172715.db2.gz HYFSPTMRDIYPSQ-GHMZBOCLSA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527195 678172778 /nfs/dbraw/zinc/17/27/78/678172778.db2.gz WHGWQWBTHBAIHX-NXEZZACHSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073527195 678172779 /nfs/dbraw/zinc/17/27/79/678172779.db2.gz WHGWQWBTHBAIHX-NXEZZACHSA-N 1 1 323.353 -1.123 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1COCCO1 ZINC001073543823 678173282 /nfs/dbraw/zinc/17/32/82/678173282.db2.gz QDQRHPQQVPWTPP-STQMWFEESA-N 1 1 302.371 -1.009 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564081 678173636 /nfs/dbraw/zinc/17/36/36/678173636.db2.gz QKEFCVYYOAKRSX-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073578786 678173905 /nfs/dbraw/zinc/17/39/05/678173905.db2.gz WGGQXXVEUYIGIF-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563969 678173967 /nfs/dbraw/zinc/17/39/67/678173967.db2.gz NLGSYXUNHKPLLC-QWHCGFSZSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073578789 678173988 /nfs/dbraw/zinc/17/39/88/678173988.db2.gz WGGQXXVEUYIGIF-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563968 678174006 /nfs/dbraw/zinc/17/40/06/678174006.db2.gz NLGSYXUNHKPLLC-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073578829 678174029 /nfs/dbraw/zinc/17/40/29/678174029.db2.gz XEFQZIVNIAETSS-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563970 678174040 /nfs/dbraw/zinc/17/40/40/678174040.db2.gz NLGSYXUNHKPLLC-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561729 678174064 /nfs/dbraw/zinc/17/40/64/678174064.db2.gz AUIXMOBRPWYAEI-VHSXEESVSA-N 1 1 322.369 -1.247 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561729 678174065 /nfs/dbraw/zinc/17/40/65/678174065.db2.gz AUIXMOBRPWYAEI-VHSXEESVSA-N 1 1 322.369 -1.247 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001073589136 678174433 /nfs/dbraw/zinc/17/44/33/678174433.db2.gz KHXGCAOUIIKIMI-WDEREUQCSA-N 1 1 301.343 -1.052 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001073589131 678174722 /nfs/dbraw/zinc/17/47/22/678174722.db2.gz KHXGCAOUIIKIMI-GHMZBOCLSA-N 1 1 301.343 -1.052 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590848 678174782 /nfs/dbraw/zinc/17/47/82/678174782.db2.gz BPKVMNJIISPBGI-WDEREUQCSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073590848 678174784 /nfs/dbraw/zinc/17/47/84/678174784.db2.gz BPKVMNJIISPBGI-WDEREUQCSA-N 1 1 324.385 -1.100 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591538 678175347 /nfs/dbraw/zinc/17/53/47/678175347.db2.gz KEFQVFQCVKFYGF-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591538 678175350 /nfs/dbraw/zinc/17/53/50/678175350.db2.gz KEFQVFQCVKFYGF-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073593056 678175398 /nfs/dbraw/zinc/17/53/98/678175398.db2.gz FCMDBHNPWVIJTN-QWRGUYRKSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073593056 678175402 /nfs/dbraw/zinc/17/54/02/678175402.db2.gz FCMDBHNPWVIJTN-QWRGUYRKSA-N 1 1 322.369 -1.476 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073594875 678175429 /nfs/dbraw/zinc/17/54/29/678175429.db2.gz APSSALHPNWZRTF-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001073594875 678175433 /nfs/dbraw/zinc/17/54/33/678175433.db2.gz APSSALHPNWZRTF-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620971 678175817 /nfs/dbraw/zinc/17/58/17/678175817.db2.gz SSKHJTPQGZWCCM-PWSUYJOCSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001073620971 678175818 /nfs/dbraw/zinc/17/58/18/678175818.db2.gz SSKHJTPQGZWCCM-PWSUYJOCSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCO)CCCO1)C1CS(=O)(=O)C1 ZINC001073620937 678175884 /nfs/dbraw/zinc/17/58/84/678175884.db2.gz RPRZTGUCIQUEKV-GFCCVEGCSA-N 1 1 320.411 -1.380 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)C1CS(=O)(=O)C1 ZINC001073620937 678175885 /nfs/dbraw/zinc/17/58/85/678175885.db2.gz RPRZTGUCIQUEKV-GFCCVEGCSA-N 1 1 320.411 -1.380 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648255 678176706 /nfs/dbraw/zinc/17/67/06/678176706.db2.gz WKBHCLRFKHQDCO-KOLCDFICSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073648255 678176710 /nfs/dbraw/zinc/17/67/10/678176710.db2.gz WKBHCLRFKHQDCO-KOLCDFICSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642025 678176794 /nfs/dbraw/zinc/17/67/94/678176794.db2.gz GRQWYVNCMPBGGB-RYUDHWBXSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1)c1cn[nH]n1 ZINC001073671462 678177191 /nfs/dbraw/zinc/17/71/91/678177191.db2.gz AULHOYGVUYVBPD-NSHDSACASA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)CCCO1)c1cnn[nH]1 ZINC001073671462 678177194 /nfs/dbraw/zinc/17/71/94/678177194.db2.gz AULHOYGVUYVBPD-NSHDSACASA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1)c1cnn[nH]1 ZINC001073671462 678177198 /nfs/dbraw/zinc/17/71/98/678177198.db2.gz AULHOYGVUYVBPD-NSHDSACASA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1)c1cn[nH]n1 ZINC001073671460 678177256 /nfs/dbraw/zinc/17/72/56/678177256.db2.gz AULHOYGVUYVBPD-LLVKDONJSA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1)c1cnn[nH]1 ZINC001073671460 678177260 /nfs/dbraw/zinc/17/72/60/678177260.db2.gz AULHOYGVUYVBPD-LLVKDONJSA-N 1 1 320.357 -1.083 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1)c1cnn[nH]1 ZINC001073671460 678177264 /nfs/dbraw/zinc/17/72/64/678177264.db2.gz AULHOYGVUYVBPD-LLVKDONJSA-N 1 1 320.357 -1.083 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)ncc1=O ZINC001073703497 678177869 /nfs/dbraw/zinc/17/78/69/678177869.db2.gz PUUZQPAENWDKPZ-GFCCVEGCSA-N 1 1 324.381 -1.017 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)NC1=O ZINC001073726415 678179026 /nfs/dbraw/zinc/17/90/26/678179026.db2.gz LEDOGGWRYWUFLH-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001073726323 678179121 /nfs/dbraw/zinc/17/91/21/678179121.db2.gz INCOZTYCNZLFDJ-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)NC1=O ZINC001073726417 678179214 /nfs/dbraw/zinc/17/92/14/678179214.db2.gz LEDOGGWRYWUFLH-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734260 678179287 /nfs/dbraw/zinc/17/92/87/678179287.db2.gz QXBZDJBGTTZDLR-FHUSYTEZSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734260 678179288 /nfs/dbraw/zinc/17/92/88/678179288.db2.gz QXBZDJBGTTZDLR-FHUSYTEZSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748111 678179331 /nfs/dbraw/zinc/17/93/31/678179331.db2.gz BHCMGAHBRBJIFR-NXEZZACHSA-N 1 1 323.353 -1.536 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748111 678179337 /nfs/dbraw/zinc/17/93/37/678179337.db2.gz BHCMGAHBRBJIFR-NXEZZACHSA-N 1 1 323.353 -1.536 20 0 DAADMO O=C(NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733822 678179372 /nfs/dbraw/zinc/17/93/72/678179372.db2.gz KJAGCINRSDRGQO-PDWCTOEPSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733822 678179375 /nfs/dbraw/zinc/17/93/75/678179375.db2.gz KJAGCINRSDRGQO-PDWCTOEPSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@H]1CNC(=O)N1 ZINC001073752466 678179659 /nfs/dbraw/zinc/17/96/59/678179659.db2.gz XWLQBSQWOJGJJF-GHMZBOCLSA-N 1 1 300.359 -1.743 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)CCCO1)[C@H]1CNC(=O)N1 ZINC001073752469 678180009 /nfs/dbraw/zinc/18/00/09/678180009.db2.gz XWLQBSQWOJGJJF-WDEREUQCSA-N 1 1 300.359 -1.743 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818536 678180827 /nfs/dbraw/zinc/18/08/27/678180827.db2.gz HAQSDZKIMPOCBW-JQWIXIFHSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818536 678180829 /nfs/dbraw/zinc/18/08/29/678180829.db2.gz HAQSDZKIMPOCBW-JQWIXIFHSA-N 1 1 324.385 -1.100 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893353 678182772 /nfs/dbraw/zinc/18/27/72/678182772.db2.gz RJYSCYBHXMNAMA-WDEREUQCSA-N 1 1 321.399 -2.123 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCF)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893058 678182918 /nfs/dbraw/zinc/18/29/18/678182918.db2.gz IYSLPDWXZINGMT-QWRGUYRKSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCF)CCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001073893058 678182924 /nfs/dbraw/zinc/18/29/24/678182924.db2.gz IYSLPDWXZINGMT-QWRGUYRKSA-N 1 1 323.390 -1.145 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073895814 678182938 /nfs/dbraw/zinc/18/29/38/678182938.db2.gz CBAJHGHFACAMPF-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO CNC(=O)CN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886551 678182984 /nfs/dbraw/zinc/18/29/84/678182984.db2.gz RCWRWYWFMULOMG-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880806 678183017 /nfs/dbraw/zinc/18/30/17/678183017.db2.gz UDHFLVUGAYKQAD-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001073893579 678183173 /nfs/dbraw/zinc/18/31/73/678183173.db2.gz WRRXCSQZKMOPMT-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO CCC[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073898790 678183592 /nfs/dbraw/zinc/18/35/92/678183592.db2.gz BYRWUGYPVNWOBS-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO CC(C)[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001073898883 678183774 /nfs/dbraw/zinc/18/37/74/678183774.db2.gz FIFKLRMLLRGHFI-NSHDSACASA-N 1 1 324.385 -1.008 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)CC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001073975928 678184708 /nfs/dbraw/zinc/18/47/08/678184708.db2.gz GTHZZXMTOLNDAW-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[N@H+](C[C@H]1CCCCN1C(=O)C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001074058503 678185752 /nfs/dbraw/zinc/18/57/52/678185752.db2.gz DFICPLQLIFGQJY-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001074058503 678185753 /nfs/dbraw/zinc/18/57/53/678185753.db2.gz DFICPLQLIFGQJY-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242375 678189147 /nfs/dbraw/zinc/18/91/47/678189147.db2.gz WDIBLRILRXXLTI-NEPJUHHUSA-N 1 1 310.358 -1.379 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001074242375 678189149 /nfs/dbraw/zinc/18/91/49/678189149.db2.gz WDIBLRILRXXLTI-NEPJUHHUSA-N 1 1 310.358 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001074282964 678190196 /nfs/dbraw/zinc/19/01/96/678190196.db2.gz VQBROPONKYIXRJ-VXGBXAGGSA-N 1 1 309.370 -1.097 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 ZINC001074282964 678190200 /nfs/dbraw/zinc/19/02/00/678190200.db2.gz VQBROPONKYIXRJ-VXGBXAGGSA-N 1 1 309.370 -1.097 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@@H]2C1 ZINC001074299773 678190280 /nfs/dbraw/zinc/19/02/80/678190280.db2.gz KHUJUQKNCQUMAT-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074520490 678196249 /nfs/dbraw/zinc/19/62/49/678196249.db2.gz WTCQZLBVFHIOCM-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)c1nnnn1C ZINC001074521854 678196282 /nfs/dbraw/zinc/19/62/82/678196282.db2.gz NUUCNBYYQDMMFY-UTLUCORTSA-N 1 1 320.361 -1.463 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C[C@@H]1CCNC1=O ZINC001074683324 678200369 /nfs/dbraw/zinc/20/03/69/678200369.db2.gz WZLXCYXBZMTYQM-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CCN(C(=O)C(N)=O)CC2)C1 ZINC001074702846 678202492 /nfs/dbraw/zinc/20/24/92/678202492.db2.gz PPSXURSWRIHPPI-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798320 678204549 /nfs/dbraw/zinc/20/45/49/678204549.db2.gz HKLQRUOIQXNSRI-LPEHRKFASA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C)c1nnnn1C ZINC001074806837 678204642 /nfs/dbraw/zinc/20/46/42/678204642.db2.gz ZGTFZVXUHBAUHE-VGMNWLOBSA-N 1 1 320.361 -1.313 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074842167 678205157 /nfs/dbraw/zinc/20/51/57/678205157.db2.gz NWLVGMHTGDZTSS-CIUDSAMLSA-N 1 1 308.346 -2.030 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@H]2C)[nH]1 ZINC001074844710 678205545 /nfs/dbraw/zinc/20/55/45/678205545.db2.gz UQIIMAHMSBFOMC-HGNGGELXSA-N 1 1 307.358 -1.126 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074844437 678205800 /nfs/dbraw/zinc/20/58/00/678205800.db2.gz CCZWJUWJXBVDIO-INTQDDNPSA-N 1 1 307.358 -1.425 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC1 ZINC001019316962 678215966 /nfs/dbraw/zinc/21/59/66/678215966.db2.gz IOALJJAQAYZFKE-VIFPVBQESA-N 1 1 319.369 -1.036 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019629425 678216915 /nfs/dbraw/zinc/21/69/15/678216915.db2.gz LTHVBJFWFVBAOL-JTQLQIEISA-N 1 1 307.358 -1.437 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020329955 678218690 /nfs/dbraw/zinc/21/86/90/678218690.db2.gz CRGGMFBNJGHDND-SRVKXCTJSA-N 1 1 323.401 -1.332 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001020338607 678218726 /nfs/dbraw/zinc/21/87/26/678218726.db2.gz RTNISGYJKXJKRU-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)CC1=O ZINC001038313836 678219172 /nfs/dbraw/zinc/21/91/72/678219172.db2.gz YUYZNQUCSPBKGX-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)CC1=O ZINC001038313836 678219175 /nfs/dbraw/zinc/21/91/75/678219175.db2.gz YUYZNQUCSPBKGX-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)C1=O ZINC001038618911 678219677 /nfs/dbraw/zinc/21/96/77/678219677.db2.gz DYIBKKINWMUBQP-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)C1=O ZINC001038618911 678219678 /nfs/dbraw/zinc/21/96/78/678219678.db2.gz DYIBKKINWMUBQP-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001038930942 678221452 /nfs/dbraw/zinc/22/14/52/678221452.db2.gz FREHWVHZYQZFEC-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001038930942 678221455 /nfs/dbraw/zinc/22/14/55/678221455.db2.gz FREHWVHZYQZFEC-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001038930941 678221520 /nfs/dbraw/zinc/22/15/20/678221520.db2.gz FREHWVHZYQZFEC-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001038930941 678221523 /nfs/dbraw/zinc/22/15/23/678221523.db2.gz FREHWVHZYQZFEC-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO COCC[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039052791 678222046 /nfs/dbraw/zinc/22/20/46/678222046.db2.gz NKBKWZNLIODPRI-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039052791 678222049 /nfs/dbraw/zinc/22/20/49/678222049.db2.gz NKBKWZNLIODPRI-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053535 678222072 /nfs/dbraw/zinc/22/20/72/678222072.db2.gz UDGZQUJBAGWKSL-GHMZBOCLSA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053535 678222075 /nfs/dbraw/zinc/22/20/75/678222075.db2.gz UDGZQUJBAGWKSL-GHMZBOCLSA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CCNC(=O)C1 ZINC001039416434 678222568 /nfs/dbraw/zinc/22/25/68/678222568.db2.gz ZNDPLGIMOHTYSK-MJBXVCDLSA-N 1 1 324.425 -1.136 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O ZINC001039467789 678222768 /nfs/dbraw/zinc/22/27/68/678222768.db2.gz CNVQPSHZPOZCBO-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CCC1=O ZINC001039467789 678222769 /nfs/dbraw/zinc/22/27/69/678222769.db2.gz CNVQPSHZPOZCBO-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001039755937 678228585 /nfs/dbraw/zinc/22/85/85/678228585.db2.gz BNWCOUZSYLXSIB-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC001039760084 678228660 /nfs/dbraw/zinc/22/86/60/678228660.db2.gz HFNSRPJUQLVMEI-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)CC(N)=O)C2)C1 ZINC001039755938 678228668 /nfs/dbraw/zinc/22/86/68/678228668.db2.gz BNWCOUZSYLXSIB-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001039828015 678230526 /nfs/dbraw/zinc/23/05/26/678230526.db2.gz WCYRCIMOSYLJNT-OKILXGFUSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039995579 678230733 /nfs/dbraw/zinc/23/07/33/678230733.db2.gz QBFRQKOTRLSUNJ-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039995579 678230735 /nfs/dbraw/zinc/23/07/35/678230735.db2.gz QBFRQKOTRLSUNJ-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1=O ZINC001039972045 678230894 /nfs/dbraw/zinc/23/08/94/678230894.db2.gz DJANPEXSVYINEH-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001039972045 678230897 /nfs/dbraw/zinc/23/08/97/678230897.db2.gz DJANPEXSVYINEH-TXEJJXNPSA-N 1 1 324.381 -1.062 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC001039885382 678230929 /nfs/dbraw/zinc/23/09/29/678230929.db2.gz GQOUNEARINYQIH-FRRDWIJNSA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001039885382 678230931 /nfs/dbraw/zinc/23/09/31/678230931.db2.gz GQOUNEARINYQIH-FRRDWIJNSA-N 1 1 321.381 -1.205 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060901 678231722 /nfs/dbraw/zinc/23/17/22/678231722.db2.gz ZETCCPJCAGRMIT-FZMZJTMJSA-N 1 1 321.385 -1.139 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001040100840 678232653 /nfs/dbraw/zinc/23/26/53/678232653.db2.gz ROVDGKUXYVCZRZ-CQSZACIVSA-N 1 1 314.386 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040100729 678232940 /nfs/dbraw/zinc/23/29/40/678232940.db2.gz PUBWRIUZGZKXRL-ZDUSSCGKSA-N 1 1 300.359 -2.109 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001040170778 678234081 /nfs/dbraw/zinc/23/40/81/678234081.db2.gz QGFFUSIRCDKLOK-AWEZNQCLSA-N 1 1 322.369 -1.217 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001040170778 678234085 /nfs/dbraw/zinc/23/40/85/678234085.db2.gz QGFFUSIRCDKLOK-AWEZNQCLSA-N 1 1 322.369 -1.217 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040264998 678236017 /nfs/dbraw/zinc/23/60/17/678236017.db2.gz IOWRXMMLLSZLLW-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCO)C3)c1=O ZINC001040270396 678237396 /nfs/dbraw/zinc/23/73/96/678237396.db2.gz JBDJXQLFLNBFDS-HNNXBMFYSA-N 1 1 323.397 -1.111 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCO)C3)c1=O ZINC001040270397 678237970 /nfs/dbraw/zinc/23/79/70/678237970.db2.gz JBDJXQLFLNBFDS-OAHLLOKOSA-N 1 1 323.397 -1.111 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(N)=O)C3)NC1=O ZINC001040328885 678238850 /nfs/dbraw/zinc/23/88/50/678238850.db2.gz QUWCPKMZJGWJSV-NHYWBVRUSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(N)=O)C3)NC1=O ZINC001040328885 678238853 /nfs/dbraw/zinc/23/88/53/678238853.db2.gz QUWCPKMZJGWJSV-NHYWBVRUSA-N 1 1 323.397 -1.190 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040317589 678238931 /nfs/dbraw/zinc/23/89/31/678238931.db2.gz XMZACENMKNOQDK-ZDUSSCGKSA-N 1 1 309.326 -2.244 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040317587 678238957 /nfs/dbraw/zinc/23/89/57/678238957.db2.gz XMZACENMKNOQDK-CYBMUJFWSA-N 1 1 309.326 -2.244 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040352066 678239605 /nfs/dbraw/zinc/23/96/05/678239605.db2.gz OTCGPIAQADGAJV-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001040429909 678240689 /nfs/dbraw/zinc/24/06/89/678240689.db2.gz KOKZSCYWNKOPFS-FQSHHYAASA-N 1 1 323.393 -1.051 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001040465010 678241326 /nfs/dbraw/zinc/24/13/26/678241326.db2.gz UBCYHIYUUIQIQL-CQSZACIVSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001040465010 678241330 /nfs/dbraw/zinc/24/13/30/678241330.db2.gz UBCYHIYUUIQIQL-CQSZACIVSA-N 1 1 321.385 -1.137 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040451924 678241340 /nfs/dbraw/zinc/24/13/40/678241340.db2.gz VWMVAVVQQZGKLG-CQSZACIVSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040494134 678242681 /nfs/dbraw/zinc/24/26/81/678242681.db2.gz ADTWBANQUSCYPJ-RISCZKNCSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040494134 678242683 /nfs/dbraw/zinc/24/26/83/678242683.db2.gz ADTWBANQUSCYPJ-RISCZKNCSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040494133 678242863 /nfs/dbraw/zinc/24/28/63/678242863.db2.gz ADTWBANQUSCYPJ-BXUZGUMPSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)c2cn[nH]n2)C1 ZINC001040494133 678242866 /nfs/dbraw/zinc/24/28/66/678242866.db2.gz ADTWBANQUSCYPJ-BXUZGUMPSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001040550344 678245943 /nfs/dbraw/zinc/24/59/43/678245943.db2.gz JXSYTPQTGJVWLQ-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550344 678245944 /nfs/dbraw/zinc/24/59/44/678245944.db2.gz JXSYTPQTGJVWLQ-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001040550344 678245946 /nfs/dbraw/zinc/24/59/46/678245946.db2.gz JXSYTPQTGJVWLQ-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550344 678245948 /nfs/dbraw/zinc/24/59/48/678245948.db2.gz JXSYTPQTGJVWLQ-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001040550344 678245950 /nfs/dbraw/zinc/24/59/50/678245950.db2.gz JXSYTPQTGJVWLQ-YGRLFVJLSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040745386 678251636 /nfs/dbraw/zinc/25/16/36/678251636.db2.gz AKZZFGPBOCFJFW-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800231 678256610 /nfs/dbraw/zinc/25/66/10/678256610.db2.gz DEIARXWYCKEDJW-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CCN(C(=O)C(N)=O)C2)C1 ZINC001040927840 678258311 /nfs/dbraw/zinc/25/83/11/678258311.db2.gz YWQLGRMKMUBNBL-QMTHXVAHSA-N 1 1 312.370 -2.107 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001040969541 678260091 /nfs/dbraw/zinc/26/00/91/678260091.db2.gz ZZYVZQWTOZGPOC-AWEZNQCLSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001040973227 678260355 /nfs/dbraw/zinc/26/03/55/678260355.db2.gz QQJPQGMYNNQNDP-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1ccnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001040973227 678260358 /nfs/dbraw/zinc/26/03/58/678260358.db2.gz QQJPQGMYNNQNDP-JHJVBQTASA-N 1 1 321.381 -1.219 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001041041443 678262150 /nfs/dbraw/zinc/26/21/50/678262150.db2.gz KKGWQELMNATUSF-GFCCVEGCSA-N 1 1 323.397 -1.087 20 0 DAADMO O=C(NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1)C1CC1 ZINC001041102696 678264637 /nfs/dbraw/zinc/26/46/37/678264637.db2.gz RJJBPTBSAAISTO-OLZOCXBDSA-N 1 1 323.393 -1.051 20 0 DAADMO O=C(NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)C1CC1 ZINC001041102697 678264802 /nfs/dbraw/zinc/26/48/02/678264802.db2.gz RJJBPTBSAAISTO-QWHCGFSZSA-N 1 1 323.393 -1.051 20 0 DAADMO O=C(NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)C1CC1 ZINC001041102695 678264838 /nfs/dbraw/zinc/26/48/38/678264838.db2.gz RJJBPTBSAAISTO-CHWSQXEVSA-N 1 1 323.393 -1.051 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041151776 678266518 /nfs/dbraw/zinc/26/65/18/678266518.db2.gz SLDHGJZPWBBRAZ-SNVBAGLBSA-N 1 1 301.343 -2.347 20 0 DAADMO COCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041151776 678266519 /nfs/dbraw/zinc/26/65/19/678266519.db2.gz SLDHGJZPWBBRAZ-SNVBAGLBSA-N 1 1 301.343 -2.347 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001041209159 678270287 /nfs/dbraw/zinc/27/02/87/678270287.db2.gz BXQRKQHGRBAYEW-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001041210308 678270719 /nfs/dbraw/zinc/27/07/19/678270719.db2.gz FIRDBZICVAVNAC-LLVKDONJSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001041226971 678271783 /nfs/dbraw/zinc/27/17/83/678271783.db2.gz DEDXQIKENJAMEO-CZUORRHYSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001041227376 678271942 /nfs/dbraw/zinc/27/19/42/678271942.db2.gz IJJJMGKXNPZMNJ-DOMZBBRYSA-N 1 1 310.398 -1.273 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001041214858 678272154 /nfs/dbraw/zinc/27/21/54/678272154.db2.gz BUGPQDYBYOBDKF-UHFFFAOYSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCOCC3)C2)C1 ZINC001041216727 678272187 /nfs/dbraw/zinc/27/21/87/678272187.db2.gz VABSRIFDZFTCMJ-INIZCTEOSA-N 1 1 324.425 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1 ZINC001041239453 678272375 /nfs/dbraw/zinc/27/23/75/678272375.db2.gz JIZPBAAWKPVXFF-OAHLLOKOSA-N 1 1 308.382 -1.126 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041303461 678274918 /nfs/dbraw/zinc/27/49/18/678274918.db2.gz MALHKPBDEDAMMB-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041303461 678274922 /nfs/dbraw/zinc/27/49/22/678274922.db2.gz MALHKPBDEDAMMB-LLVKDONJSA-N 1 1 315.370 -1.957 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041321635 678276225 /nfs/dbraw/zinc/27/62/25/678276225.db2.gz KMRWAUFEYZMZFT-CYBMUJFWSA-N 1 1 302.396 -1.052 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)nc(C)[nH+]1 ZINC001041314592 678276565 /nfs/dbraw/zinc/27/65/65/678276565.db2.gz FOBDXIHCCYZZEF-HBNTYKKESA-N 1 1 320.353 -1.559 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc(C)[nH+]1 ZINC001041336419 678277755 /nfs/dbraw/zinc/27/77/55/678277755.db2.gz JXGSHKCKRWQJMO-WRWGMCAJSA-N 1 1 319.365 -1.119 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1=O ZINC001041338347 678278847 /nfs/dbraw/zinc/27/88/47/678278847.db2.gz GKLRULHGXNLFCF-NHYWBVRUSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCO2)C1 ZINC001041349636 678279097 /nfs/dbraw/zinc/27/90/97/678279097.db2.gz JESAGNHVGBXYOP-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001041360517 678280529 /nfs/dbraw/zinc/28/05/29/678280529.db2.gz WTNGGZXDTMPSIL-SNVBAGLBSA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001041360517 678280534 /nfs/dbraw/zinc/28/05/34/678280534.db2.gz WTNGGZXDTMPSIL-SNVBAGLBSA-N 1 1 317.411 -1.631 20 0 DAADMO CSCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001041367669 678281122 /nfs/dbraw/zinc/28/11/22/678281122.db2.gz VCNCLFKKFYGBOC-JTQLQIEISA-N 1 1 301.412 -1.009 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001041378521 678281438 /nfs/dbraw/zinc/28/14/38/678281438.db2.gz KJWNRCGSRKHKNE-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041387882 678283704 /nfs/dbraw/zinc/28/37/04/678283704.db2.gz PLBNFOLQBWTGMF-UHFFFAOYSA-N 1 1 324.341 -2.451 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)O1 ZINC001041420870 678286633 /nfs/dbraw/zinc/28/66/33/678286633.db2.gz DCLTYPWVNQALAA-FDYHWXHSSA-N 1 1 321.381 -1.139 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2O)O1 ZINC001041420870 678286638 /nfs/dbraw/zinc/28/66/38/678286638.db2.gz DCLTYPWVNQALAA-FDYHWXHSSA-N 1 1 321.381 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001041432164 678287123 /nfs/dbraw/zinc/28/71/23/678287123.db2.gz OSTSOTBBANPWRQ-ABAIWWIYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCCNC3=O)C2)C1 ZINC001041437811 678287459 /nfs/dbraw/zinc/28/74/59/678287459.db2.gz RVMRIFBXYSZSJO-HNNXBMFYSA-N 1 1 323.397 -1.189 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001041466945 678289286 /nfs/dbraw/zinc/28/92/86/678289286.db2.gz UGKWGTISDRNBMY-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO COCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041539385 678290601 /nfs/dbraw/zinc/29/06/01/678290601.db2.gz GWLSSZNGZSFROB-INIZCTEOSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001041540816 678290641 /nfs/dbraw/zinc/29/06/41/678290641.db2.gz QKYHMEYRGXDQAV-IAQYHMDHSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001041540818 678290755 /nfs/dbraw/zinc/29/07/55/678290755.db2.gz QKYHMEYRGXDQAV-NHYWBVRUSA-N 1 1 308.382 -1.207 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)n1 ZINC001041562613 678291229 /nfs/dbraw/zinc/29/12/29/678291229.db2.gz CRVMZFLYPSCKQO-HZMBPMFUSA-N 1 1 319.369 -1.363 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC001041574928 678291921 /nfs/dbraw/zinc/29/19/21/678291921.db2.gz YBXFYLWQJIPOAQ-QMTHXVAHSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041604386 678293601 /nfs/dbraw/zinc/29/36/01/678293601.db2.gz RRGLESMWWKLVCB-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001041614241 678294426 /nfs/dbraw/zinc/29/44/26/678294426.db2.gz JEJKWBGFLKJISA-YGRLFVJLSA-N 1 1 309.370 -1.662 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001041616124 678294868 /nfs/dbraw/zinc/29/48/68/678294868.db2.gz KZCNJFVGRVNCHM-ABAIWWIYSA-N 1 1 323.397 -1.320 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001041617754 678294906 /nfs/dbraw/zinc/29/49/06/678294906.db2.gz RVKJXRLWOGKHDZ-OAHLLOKOSA-N 1 1 324.381 -1.745 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001041616132 678294967 /nfs/dbraw/zinc/29/49/67/678294967.db2.gz KZCNJFVGRVNCHM-NHYWBVRUSA-N 1 1 323.397 -1.320 20 0 DAADMO NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001041630471 678295492 /nfs/dbraw/zinc/29/54/92/678295492.db2.gz VTMGQSHINFIGFI-SWLSCSKDSA-N 1 1 321.381 -1.346 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001041629267 678295595 /nfs/dbraw/zinc/29/55/95/678295595.db2.gz OMZVNDANRVROLO-AWEZNQCLSA-N 1 1 323.353 -2.052 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041711303 678300637 /nfs/dbraw/zinc/30/06/37/678300637.db2.gz YFMUAHRTAKERTL-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001041716809 678300680 /nfs/dbraw/zinc/30/06/80/678300680.db2.gz FPYCIJKGVCRNCJ-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041741718 678301075 /nfs/dbraw/zinc/30/10/75/678301075.db2.gz TVRYXTXBYOBYTC-HNNXBMFYSA-N 1 1 322.365 -1.551 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757177 678301398 /nfs/dbraw/zinc/30/13/98/678301398.db2.gz PXUDYHGBRCMZEC-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001041757343 678301674 /nfs/dbraw/zinc/30/16/74/678301674.db2.gz SJEBGBFAMFSRHB-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO CO[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001041769558 678302570 /nfs/dbraw/zinc/30/25/70/678302570.db2.gz SVQIRPXBAZAUHI-NSHDSACASA-N 1 1 310.354 -1.084 20 0 DAADMO CO[C@H](C)C(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001041769557 678302664 /nfs/dbraw/zinc/30/26/64/678302664.db2.gz SVQIRPXBAZAUHI-LLVKDONJSA-N 1 1 310.354 -1.084 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001041793086 678303705 /nfs/dbraw/zinc/30/37/05/678303705.db2.gz DIGQEJWDPZDBDV-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC001041816626 678303877 /nfs/dbraw/zinc/30/38/77/678303877.db2.gz OXKZBGLLGJMGGZ-AWEZNQCLSA-N 1 1 306.370 -1.052 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041819500 678303991 /nfs/dbraw/zinc/30/39/91/678303991.db2.gz HJUMIZYAPDHPSO-OAHLLOKOSA-N 1 1 324.381 -1.155 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041820468 678304069 /nfs/dbraw/zinc/30/40/69/678304069.db2.gz QWTGRSUWEAMYCA-NHYWBVRUSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041836264 678304464 /nfs/dbraw/zinc/30/44/64/678304464.db2.gz RUBPEVDKQFOCBW-WCQYABFASA-N 1 1 317.411 -1.405 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041823917 678304685 /nfs/dbraw/zinc/30/46/85/678304685.db2.gz RCSLBFCQRQDNRX-IAQYHMDHSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041836262 678304714 /nfs/dbraw/zinc/30/47/14/678304714.db2.gz RUBPEVDKQFOCBW-AAEUAGOBSA-N 1 1 317.411 -1.405 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041860349 678305300 /nfs/dbraw/zinc/30/53/00/678305300.db2.gz CHIKYOCQHXBLBS-ABAIWWIYSA-N 1 1 309.366 -1.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)C1 ZINC001041860775 678305317 /nfs/dbraw/zinc/30/53/17/678305317.db2.gz IBPJXLYTMDNHMH-BONVTDFDSA-N 1 1 322.365 -1.551 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001041873294 678305573 /nfs/dbraw/zinc/30/55/73/678305573.db2.gz CPIUYVSYAPPHFL-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCOC3)C2)C1 ZINC001041883447 678306186 /nfs/dbraw/zinc/30/61/86/678306186.db2.gz IEXSCJMDEFPLGQ-NWDGAFQWSA-N 1 1 311.382 -1.336 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCOC2)C1 ZINC001041885038 678306713 /nfs/dbraw/zinc/30/67/13/678306713.db2.gz WBGNLZPVSDTODV-LBPRGKRZSA-N 1 1 322.365 -1.082 20 0 DAADMO Cn1nccc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001041909787 678307557 /nfs/dbraw/zinc/30/75/57/678307557.db2.gz VLCVMRDDKRVIGD-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001041930055 678307982 /nfs/dbraw/zinc/30/79/82/678307982.db2.gz WOQSRFRSQNHJHG-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001041930137 678308121 /nfs/dbraw/zinc/30/81/21/678308121.db2.gz XYLGGPMBTWUWHJ-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041987137 678309806 /nfs/dbraw/zinc/30/98/06/678309806.db2.gz XKSDIEXAUJCBHY-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001041987137 678309811 /nfs/dbraw/zinc/30/98/11/678309811.db2.gz XKSDIEXAUJCBHY-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007105 678310197 /nfs/dbraw/zinc/31/01/97/678310197.db2.gz STNBQCDDMGOQCS-QWRGUYRKSA-N 1 1 322.369 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 ZINC001042022361 678310694 /nfs/dbraw/zinc/31/06/94/678310694.db2.gz XBENGFDYAOWEBV-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042047613 678312178 /nfs/dbraw/zinc/31/21/78/678312178.db2.gz VSGUIXITFAWGDZ-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cocn3)C2)C1 ZINC001042047613 678312183 /nfs/dbraw/zinc/31/21/83/678312183.db2.gz VSGUIXITFAWGDZ-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001042061769 678312557 /nfs/dbraw/zinc/31/25/57/678312557.db2.gz WAMWQWFRKUJQDL-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001042071708 678313594 /nfs/dbraw/zinc/31/35/94/678313594.db2.gz YKVSYAJHXQWADK-WDEREUQCSA-N 1 1 324.381 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@H]21 ZINC001042076866 678313656 /nfs/dbraw/zinc/31/36/56/678313656.db2.gz XPKMHPPTRQOHPI-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001042092277 678314280 /nfs/dbraw/zinc/31/42/80/678314280.db2.gz LWEAHWGOTFYMNZ-GFCCVEGCSA-N 1 1 321.381 -1.333 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001042092010 678314428 /nfs/dbraw/zinc/31/44/28/678314428.db2.gz ISZHDRZGWDYRFE-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001042092010 678314432 /nfs/dbraw/zinc/31/44/32/678314432.db2.gz ISZHDRZGWDYRFE-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001042092010 678314434 /nfs/dbraw/zinc/31/44/34/678314434.db2.gz ISZHDRZGWDYRFE-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CNC(N)=O)C1 ZINC001042091566 678314595 /nfs/dbraw/zinc/31/45/95/678314595.db2.gz CDOVSMNXHKUTQL-SECBINFHSA-N 1 1 313.358 -2.562 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001042097817 678314876 /nfs/dbraw/zinc/31/48/76/678314876.db2.gz KCMHKNCPNADPFL-SNVBAGLBSA-N 1 1 309.326 -1.533 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)cc1=O ZINC001042100599 678315192 /nfs/dbraw/zinc/31/51/92/678315192.db2.gz NPZRJZJGPMTLSX-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)cc1=O ZINC001042100599 678315196 /nfs/dbraw/zinc/31/51/96/678315196.db2.gz NPZRJZJGPMTLSX-PWSUYJOCSA-N 1 1 319.365 -1.198 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCO2)C1 ZINC001042093077 678315323 /nfs/dbraw/zinc/31/53/23/678315323.db2.gz SEXWHLLJAUZYLZ-RYUDHWBXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(CN1CCOCC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042096103 678315369 /nfs/dbraw/zinc/31/53/69/678315369.db2.gz AZCDDZWWYUTSEZ-OLZOCXBDSA-N 1 1 311.382 -1.240 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098786 678315508 /nfs/dbraw/zinc/31/55/08/678315508.db2.gz SLFTYBKKJIJHPT-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 ZINC001042098786 678315510 /nfs/dbraw/zinc/31/55/10/678315510.db2.gz SLFTYBKKJIJHPT-NWDGAFQWSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)cc1=O ZINC001042100597 678315528 /nfs/dbraw/zinc/31/55/28/678315528.db2.gz NPZRJZJGPMTLSX-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)cc1=O ZINC001042100597 678315530 /nfs/dbraw/zinc/31/55/30/678315530.db2.gz NPZRJZJGPMTLSX-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ncc[nH]2)C1 ZINC001042097759 678315542 /nfs/dbraw/zinc/31/55/42/678315542.db2.gz JLISALWYURKEKM-JTQLQIEISA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001042105107 678315764 /nfs/dbraw/zinc/31/57/64/678315764.db2.gz WJFBVYOFBWRMCL-JTQLQIEISA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001042105107 678315767 /nfs/dbraw/zinc/31/57/67/678315767.db2.gz WJFBVYOFBWRMCL-JTQLQIEISA-N 1 1 308.342 -1.798 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C2(C(N)=O)CC2)C1 ZINC001042104677 678316087 /nfs/dbraw/zinc/31/60/87/678316087.db2.gz QYUFUGRNPWJBSX-SNVBAGLBSA-N 1 1 324.381 -1.964 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2nccn2)C1 ZINC001042104509 678316173 /nfs/dbraw/zinc/31/61/73/678316173.db2.gz PULJMKMWIRXEFG-LLVKDONJSA-N 1 1 322.369 -1.938 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)CC1=O ZINC001042120230 678316575 /nfs/dbraw/zinc/31/65/75/678316575.db2.gz QKCOGMPJGGWLGS-KGLIPLIRSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)c1=O ZINC001042121989 678316774 /nfs/dbraw/zinc/31/67/74/678316774.db2.gz KTSPZHJVVKOHAV-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)c1=O ZINC001042121989 678316779 /nfs/dbraw/zinc/31/67/79/678316779.db2.gz KTSPZHJVVKOHAV-WDEREUQCSA-N 1 1 322.369 -2.010 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001042136432 678317230 /nfs/dbraw/zinc/31/72/30/678317230.db2.gz VHMKMBXYJHAELB-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001042136432 678317232 /nfs/dbraw/zinc/31/72/32/678317232.db2.gz VHMKMBXYJHAELB-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO COCC[N@H+]1CC[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042183837 678317944 /nfs/dbraw/zinc/31/79/44/678317944.db2.gz NRTDCNWWZNVYGT-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC001042205269 678318205 /nfs/dbraw/zinc/31/82/05/678318205.db2.gz ABSXIAKZIXYHGO-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC001042205269 678318208 /nfs/dbraw/zinc/31/82/08/678318208.db2.gz ABSXIAKZIXYHGO-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 ZINC001042183838 678318310 /nfs/dbraw/zinc/31/83/10/678318310.db2.gz NRTDCNWWZNVYGT-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189624 678318315 /nfs/dbraw/zinc/31/83/15/678318315.db2.gz JCMQKSIPLAGUKU-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189624 678318316 /nfs/dbraw/zinc/31/83/16/678318316.db2.gz JCMQKSIPLAGUKU-NXEZZACHSA-N 1 1 307.358 -1.508 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 ZINC001042183836 678318432 /nfs/dbraw/zinc/31/84/32/678318432.db2.gz NRTDCNWWZNVYGT-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001042212632 678319008 /nfs/dbraw/zinc/31/90/08/678319008.db2.gz HCZHEUSCKPQXAI-MNOVXSKESA-N 1 1 322.365 -1.457 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042213341 678319452 /nfs/dbraw/zinc/31/94/52/678319452.db2.gz KZUWNPPNSYRFBX-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042213341 678319456 /nfs/dbraw/zinc/31/94/56/678319456.db2.gz KZUWNPPNSYRFBX-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042216624 678319742 /nfs/dbraw/zinc/31/97/42/678319742.db2.gz IIIMBJDDIXIWSM-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)CC(N)=O)C1 ZINC001042232249 678322661 /nfs/dbraw/zinc/32/26/61/678322661.db2.gz YIIROJXQBLGRLL-UHFFFAOYSA-N 1 1 309.326 -2.244 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042270426 678323688 /nfs/dbraw/zinc/32/36/88/678323688.db2.gz YCSXNHDNTZPMHM-UHFFFAOYSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042264752 678323951 /nfs/dbraw/zinc/32/39/51/678323951.db2.gz BGUFKRGZOKZWAX-JQWIXIFHSA-N 1 1 309.366 -1.046 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042264751 678324018 /nfs/dbraw/zinc/32/40/18/678324018.db2.gz BGUFKRGZOKZWAX-CMPLNLGQSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273624 678324208 /nfs/dbraw/zinc/32/42/08/678324208.db2.gz UBMHSVPTRBJYCM-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 ZINC001042273624 678324211 /nfs/dbraw/zinc/32/42/11/678324211.db2.gz UBMHSVPTRBJYCM-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042286917 678324461 /nfs/dbraw/zinc/32/44/61/678324461.db2.gz DODHEIFJLKJLSH-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042286920 678324560 /nfs/dbraw/zinc/32/45/60/678324560.db2.gz DODHEIFJLKJLSH-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(C)=CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295737 678325073 /nfs/dbraw/zinc/32/50/73/678325073.db2.gz RYYZDZOHQAAYBJ-GFCCVEGCSA-N 1 1 311.382 -1.027 20 0 DAADMO CC(C)=CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295737 678325076 /nfs/dbraw/zinc/32/50/76/678325076.db2.gz RYYZDZOHQAAYBJ-GFCCVEGCSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(/C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042300618 678325084 /nfs/dbraw/zinc/32/50/84/678325084.db2.gz XAWHJFPBNSTLNW-CSXHZRMWSA-N 1 1 311.382 -1.027 20 0 DAADMO C/C=C(/C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042300618 678325090 /nfs/dbraw/zinc/32/50/90/678325090.db2.gz XAWHJFPBNSTLNW-CSXHZRMWSA-N 1 1 311.382 -1.027 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295826 678325222 /nfs/dbraw/zinc/32/52/22/678325222.db2.gz SZXWUYLCDFJXNJ-QWRGUYRKSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295826 678325226 /nfs/dbraw/zinc/32/52/26/678325226.db2.gz SZXWUYLCDFJXNJ-QWRGUYRKSA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)C1 ZINC001042299987 678325235 /nfs/dbraw/zinc/32/52/35/678325235.db2.gz LQRLKPHMBHXKTD-LLVKDONJSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C3(C)CC3)C2)C1 ZINC001042299987 678325238 /nfs/dbraw/zinc/32/52/38/678325238.db2.gz LQRLKPHMBHXKTD-LLVKDONJSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[C@H](F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299553 678325478 /nfs/dbraw/zinc/32/54/78/678325478.db2.gz DLQYKQPHUVMAEK-QWRGUYRKSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@H](F)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299553 678325481 /nfs/dbraw/zinc/32/54/81/678325481.db2.gz DLQYKQPHUVMAEK-QWRGUYRKSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299551 678325501 /nfs/dbraw/zinc/32/55/01/678325501.db2.gz DLQYKQPHUVMAEK-GHMZBOCLSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299551 678325503 /nfs/dbraw/zinc/32/55/03/678325503.db2.gz DLQYKQPHUVMAEK-GHMZBOCLSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CCCF)C2)C1 ZINC001042300498 678325562 /nfs/dbraw/zinc/32/55/62/678325562.db2.gz VSKKCNGDBAFWJD-LLVKDONJSA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CCCF)C2)C1 ZINC001042300498 678325563 /nfs/dbraw/zinc/32/55/63/678325563.db2.gz VSKKCNGDBAFWJD-LLVKDONJSA-N 1 1 317.361 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)C1 ZINC001042295769 678325629 /nfs/dbraw/zinc/32/56/29/678325629.db2.gz SJEXTLPHMBPVTA-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC3CC3)C2)C1 ZINC001042295769 678325632 /nfs/dbraw/zinc/32/56/32/678325632.db2.gz SJEXTLPHMBPVTA-GFCCVEGCSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001042300020 678325635 /nfs/dbraw/zinc/32/56/35/678325635.db2.gz MXNMJIAYVYCWCR-NEPJUHHUSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001042300020 678325636 /nfs/dbraw/zinc/32/56/36/678325636.db2.gz MXNMJIAYVYCWCR-NEPJUHHUSA-N 1 1 323.393 -1.193 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 ZINC001042341265 678325804 /nfs/dbraw/zinc/32/58/04/678325804.db2.gz LOJWBHHLRSRRDU-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345699 678326589 /nfs/dbraw/zinc/32/65/89/678326589.db2.gz MNRNHVCMYMUVSF-QWRGUYRKSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001042345699 678326591 /nfs/dbraw/zinc/32/65/91/678326591.db2.gz MNRNHVCMYMUVSF-QWRGUYRKSA-N 1 1 322.365 -1.457 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)n(C)c1=O ZINC001042369801 678327217 /nfs/dbraw/zinc/32/72/17/678327217.db2.gz AVEBZBNGNCQBIS-MNOVXSKESA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)n(C)c1=O ZINC001042369801 678327223 /nfs/dbraw/zinc/32/72/23/678327223.db2.gz AVEBZBNGNCQBIS-MNOVXSKESA-N 1 1 321.381 -1.255 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)nn1 ZINC001042368964 678327244 /nfs/dbraw/zinc/32/72/44/678327244.db2.gz UDAQLWUSVMHBNW-ZYHUDNBSSA-N 1 1 322.369 -1.708 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)n(C)c1=O ZINC001042369797 678327451 /nfs/dbraw/zinc/32/74/51/678327451.db2.gz AVEBZBNGNCQBIS-GHMZBOCLSA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)n(C)c1=O ZINC001042369797 678327456 /nfs/dbraw/zinc/32/74/56/678327456.db2.gz AVEBZBNGNCQBIS-GHMZBOCLSA-N 1 1 321.381 -1.255 20 0 DAADMO Cc1cc(CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)[nH]n1 ZINC001042482222 678329352 /nfs/dbraw/zinc/32/93/52/678329352.db2.gz XENXDUOVUIPLTG-UHFFFAOYSA-N 1 1 323.397 -1.098 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042544565 678331580 /nfs/dbraw/zinc/33/15/80/678331580.db2.gz OBGZTQWQHHONNN-QWHCGFSZSA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCCNC2=O)C1 ZINC001042573547 678332648 /nfs/dbraw/zinc/33/26/48/678332648.db2.gz MCPCARVTJRJVGI-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCCNC2=O)C1 ZINC001042573547 678332653 /nfs/dbraw/zinc/33/26/53/678332653.db2.gz MCPCARVTJRJVGI-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CCS(C)(=O)=O)C1 ZINC001042573581 678332692 /nfs/dbraw/zinc/33/26/92/678332692.db2.gz NKNHANWZSKLKFT-LBPRGKRZSA-N 1 1 319.427 -1.496 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CCS(C)(=O)=O)C1 ZINC001042573581 678332693 /nfs/dbraw/zinc/33/26/93/678332693.db2.gz NKNHANWZSKLKFT-LBPRGKRZSA-N 1 1 319.427 -1.496 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042572944 678332718 /nfs/dbraw/zinc/33/27/18/678332718.db2.gz ANWFNSDAJPFBRN-CMPLNLGQSA-N 1 1 323.401 -1.256 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042572944 678332722 /nfs/dbraw/zinc/33/27/22/678332722.db2.gz ANWFNSDAJPFBRN-CMPLNLGQSA-N 1 1 323.401 -1.256 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(Cc2cn(C)nn2)C1 ZINC001042573136 678332818 /nfs/dbraw/zinc/33/28/18/678332818.db2.gz DBWGATVFSNRMOA-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(Cc2cn(C)nn2)C1 ZINC001042573136 678332819 /nfs/dbraw/zinc/33/28/19/678332819.db2.gz DBWGATVFSNRMOA-ZDUSSCGKSA-N 1 1 308.386 -1.212 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042572947 678332878 /nfs/dbraw/zinc/33/28/78/678332878.db2.gz ANWFNSDAJPFBRN-ZYHUDNBSSA-N 1 1 323.401 -1.256 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042572947 678332880 /nfs/dbraw/zinc/33/28/80/678332880.db2.gz ANWFNSDAJPFBRN-ZYHUDNBSSA-N 1 1 323.401 -1.256 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CC(=O)N2CCC2)C1 ZINC001042573537 678333043 /nfs/dbraw/zinc/33/30/43/678333043.db2.gz LSCZPOPYUZBUIS-CYBMUJFWSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)N2CCC2)C1 ZINC001042573537 678333047 /nfs/dbraw/zinc/33/30/47/678333047.db2.gz LSCZPOPYUZBUIS-CYBMUJFWSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042729839 678341826 /nfs/dbraw/zinc/34/18/26/678341826.db2.gz PQZSWGDWNIIGRY-LBPRGKRZSA-N 1 1 320.357 -1.927 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001042737840 678342457 /nfs/dbraw/zinc/34/24/57/678342457.db2.gz DPIXDZKMWYMFCA-UHFFFAOYSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042738456 678342967 /nfs/dbraw/zinc/34/29/67/678342967.db2.gz WTIWQSSDLXWZHW-JTQLQIEISA-N 1 1 312.370 -2.236 20 0 DAADMO CC[C@H](C[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001042749775 678343387 /nfs/dbraw/zinc/34/33/87/678343387.db2.gz KGAFSRHRYVQDSG-LLVKDONJSA-N 1 1 324.385 -1.055 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001042749454 678343634 /nfs/dbraw/zinc/34/36/34/678343634.db2.gz DEBIRUPSPNCOFQ-VIFPVBQESA-N 1 1 310.358 -1.446 20 0 DAADMO CN(C(=O)Cn1nccn1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042798890 678345714 /nfs/dbraw/zinc/34/57/14/678345714.db2.gz IJBKYWGIVDWKOW-ZDUSSCGKSA-N 1 1 319.369 -1.322 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001042847523 678348039 /nfs/dbraw/zinc/34/80/39/678348039.db2.gz ZWSCZIZXMPMCRI-NSHDSACASA-N 1 1 324.381 -1.276 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001042851115 678349103 /nfs/dbraw/zinc/34/91/03/678349103.db2.gz HHOYBKUEQKQXPU-JTQLQIEISA-N 1 1 305.400 -1.455 20 0 DAADMO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042853357 678349239 /nfs/dbraw/zinc/34/92/39/678349239.db2.gz FWXZASHFFULMRQ-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001042896965 678354123 /nfs/dbraw/zinc/35/41/23/678354123.db2.gz ZVRITRWCWVPOGT-SNVBAGLBSA-N 1 1 322.369 -1.930 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042935034 678356173 /nfs/dbraw/zinc/35/61/73/678356173.db2.gz LQLIZUMPDSAALI-GHMZBOCLSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042953121 678357103 /nfs/dbraw/zinc/35/71/03/678357103.db2.gz MFQHRSFCRFWMOZ-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042953120 678357244 /nfs/dbraw/zinc/35/72/44/678357244.db2.gz MFQHRSFCRFWMOZ-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001043114495 678365104 /nfs/dbraw/zinc/36/51/04/678365104.db2.gz XSTWQVZWYHPXSH-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3cnccn3)C2)C1 ZINC001043114196 678365113 /nfs/dbraw/zinc/36/51/13/678365113.db2.gz TTZOJOHITGIHBJ-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3cccn3)C2)C1 ZINC001043114579 678365234 /nfs/dbraw/zinc/36/52/34/678365234.db2.gz YSYFLUQBHBAHGX-GFCCVEGCSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ccon3)C2)C1 ZINC001043114762 678365313 /nfs/dbraw/zinc/36/53/13/678365313.db2.gz AVGDXDCBOZGXTP-NSHDSACASA-N 1 1 322.365 -1.142 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001043114716 678365402 /nfs/dbraw/zinc/36/54/02/678365402.db2.gz ADFVXZGMIYZDRL-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001043112936 678365410 /nfs/dbraw/zinc/36/54/10/678365410.db2.gz FCFZGLHBOFEXNR-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CNC(N)=O)C2)C1 ZINC001043112963 678365413 /nfs/dbraw/zinc/36/54/13/678365413.db2.gz FSRJFMGLTMTIOZ-SECBINFHSA-N 1 1 313.358 -2.704 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001043114714 678365473 /nfs/dbraw/zinc/36/54/73/678365473.db2.gz ADFVXZGMIYZDRL-SECBINFHSA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3)C2)C1 ZINC001043118581 678365759 /nfs/dbraw/zinc/36/57/59/678365759.db2.gz HTVFOQBUFBUWGP-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CN3CCCC3)C2)C1 ZINC001043118581 678365764 /nfs/dbraw/zinc/36/57/64/678365764.db2.gz HTVFOQBUFBUWGP-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cnc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001043118028 678365819 /nfs/dbraw/zinc/36/58/19/678365819.db2.gz WQZAHYUHGPBGPQ-NSHDSACASA-N 1 1 321.381 -1.325 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC001043115320 678365925 /nfs/dbraw/zinc/36/59/25/678365925.db2.gz GWONFLKGJPWVLI-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001043115320 678365930 /nfs/dbraw/zinc/36/59/30/678365930.db2.gz GWONFLKGJPWVLI-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)Cc3ccn[nH]3)C2)C1 ZINC001043115320 678365934 /nfs/dbraw/zinc/36/59/34/678365934.db2.gz GWONFLKGJPWVLI-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001043117652 678366253 /nfs/dbraw/zinc/36/62/53/678366253.db2.gz WLOMBHHDPXQTQZ-JTQLQIEISA-N 1 1 324.381 -2.107 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001043115586 678366289 /nfs/dbraw/zinc/36/62/89/678366289.db2.gz INORUVQDWUUVBS-MNOVXSKESA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001043121257 678366429 /nfs/dbraw/zinc/36/64/29/678366429.db2.gz XSIHRFDPRJGRFK-QWRGUYRKSA-N 1 1 324.381 -2.236 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001043121264 678366663 /nfs/dbraw/zinc/36/66/63/678366663.db2.gz XSIHRFDPRJGRFK-WDEREUQCSA-N 1 1 324.381 -2.236 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001043118822 678366681 /nfs/dbraw/zinc/36/66/81/678366681.db2.gz LWYYCXVFFDZCTD-WQGACYEGSA-N 1 1 323.393 -1.336 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001043118981 678366836 /nfs/dbraw/zinc/36/68/36/678366836.db2.gz QJMQGSWVNMTYIS-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043124881 678367251 /nfs/dbraw/zinc/36/72/51/678367251.db2.gz XRNALPIBZXYAJQ-UHFFFAOYSA-N 1 1 308.342 -1.796 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043121445 678367286 /nfs/dbraw/zinc/36/72/86/678367286.db2.gz ZQNLRTAPVZZBOK-JTQLQIEISA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043121445 678367291 /nfs/dbraw/zinc/36/72/91/678367291.db2.gz ZQNLRTAPVZZBOK-JTQLQIEISA-N 1 1 322.369 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043121445 678367294 /nfs/dbraw/zinc/36/72/94/678367294.db2.gz ZQNLRTAPVZZBOK-JTQLQIEISA-N 1 1 322.369 -1.632 20 0 DAADMO CCOCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001043130937 678368115 /nfs/dbraw/zinc/36/81/15/678368115.db2.gz XUFSKKFOTRLMPJ-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ncnn2)C1 ZINC001043177051 678369285 /nfs/dbraw/zinc/36/92/85/678369285.db2.gz SKTMTUXIBSBQEJ-JTQLQIEISA-N 1 1 323.357 -2.543 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3ncnn3)C2)C1 ZINC001043178473 678370457 /nfs/dbraw/zinc/37/04/57/678370457.db2.gz MQPOKTHBIXYQSM-JTQLQIEISA-N 1 1 323.357 -2.686 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3nccn3)C2)C1 ZINC001043214016 678372558 /nfs/dbraw/zinc/37/25/58/678372558.db2.gz VEPWGDLYOAPWDO-NSHDSACASA-N 1 1 322.369 -2.081 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2nccn2)C1 ZINC001043213603 678372734 /nfs/dbraw/zinc/37/27/34/678372734.db2.gz BSSYZPCNRDEERZ-UHFFFAOYSA-N 1 1 324.385 -1.692 20 0 DAADMO Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001043224582 678373284 /nfs/dbraw/zinc/37/32/84/678373284.db2.gz YETDVKNDUIBBDH-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)COC)C2)C1 ZINC001043284724 678374858 /nfs/dbraw/zinc/37/48/58/678374858.db2.gz AGWMHJQMRHDUDH-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)COC)C2)C1 ZINC001043284724 678374863 /nfs/dbraw/zinc/37/48/63/678374863.db2.gz AGWMHJQMRHDUDH-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001043360415 678376352 /nfs/dbraw/zinc/37/63/52/678376352.db2.gz SKYIAGJXMFLJOR-UHFFFAOYSA-N 1 1 319.369 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001043362461 678376400 /nfs/dbraw/zinc/37/64/00/678376400.db2.gz QPJBABBZCUQURN-MKBNYLNASA-N 1 1 323.393 -1.193 20 0 DAADMO CC(=O)N1CC(O)(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001043455316 678381168 /nfs/dbraw/zinc/38/11/68/678381168.db2.gz NPXLSZJGBIMFKS-GFCCVEGCSA-N 1 1 309.370 -1.477 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043678268 678388919 /nfs/dbraw/zinc/38/89/19/678388919.db2.gz DRGDIIWOXRYAMB-WDEREUQCSA-N 1 1 324.381 -1.822 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043678267 678389170 /nfs/dbraw/zinc/38/91/70/678389170.db2.gz DRGDIIWOXRYAMB-QWRGUYRKSA-N 1 1 324.381 -1.822 20 0 DAADMO CC[C@H](C(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1)[NH+](C)C ZINC001043678603 678389320 /nfs/dbraw/zinc/38/93/20/678389320.db2.gz RVMJTBVDVVVAIG-GFCCVEGCSA-N 1 1 323.397 -1.018 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3ccnc3)C2)C1 ZINC001043717700 678392151 /nfs/dbraw/zinc/39/21/51/678392151.db2.gz QMDYZBJXJFYEQL-GFCCVEGCSA-N 1 1 321.381 -1.476 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001043769401 678393951 /nfs/dbraw/zinc/39/39/51/678393951.db2.gz HJPXVTVLXHLQGY-LLVKDONJSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001043769404 678393971 /nfs/dbraw/zinc/39/39/71/678393971.db2.gz HJPXVTVLXHLQGY-NSHDSACASA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043805671 678395426 /nfs/dbraw/zinc/39/54/26/678395426.db2.gz DZPXCKQSSFTRGU-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043805671 678395431 /nfs/dbraw/zinc/39/54/31/678395431.db2.gz DZPXCKQSSFTRGU-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043805671 678395432 /nfs/dbraw/zinc/39/54/32/678395432.db2.gz DZPXCKQSSFTRGU-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043816062 678398932 /nfs/dbraw/zinc/39/89/32/678398932.db2.gz LQGKMJXUCILIHG-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043816062 678398936 /nfs/dbraw/zinc/39/89/36/678398936.db2.gz LQGKMJXUCILIHG-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043816062 678398939 /nfs/dbraw/zinc/39/89/39/678398939.db2.gz LQGKMJXUCILIHG-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn(C)n2)C1 ZINC001043881264 678403176 /nfs/dbraw/zinc/40/31/76/678403176.db2.gz RYJVDAUIUDWWAI-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001043908881 678405419 /nfs/dbraw/zinc/40/54/19/678405419.db2.gz AWTKBCOAORGIEP-UHFFFAOYSA-N 1 1 310.354 -1.082 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCOC2)C1 ZINC001043908932 678405503 /nfs/dbraw/zinc/40/55/03/678405503.db2.gz BROJRQPKYQYBGB-LBPRGKRZSA-N 1 1 322.365 -1.082 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043923094 678405909 /nfs/dbraw/zinc/40/59/09/678405909.db2.gz GGKXKIMFSWQAGQ-MXWKQRLJSA-N 1 1 321.337 -1.132 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001043995656 678408550 /nfs/dbraw/zinc/40/85/50/678408550.db2.gz GKHBGLASCKVOBL-JTQLQIEISA-N 1 1 324.381 -1.125 20 0 DAADMO CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1C[NH+](CCCO)C1 ZINC001043995958 678408780 /nfs/dbraw/zinc/40/87/80/678408780.db2.gz MSBMLOURAXAORM-UHFFFAOYSA-N 1 1 312.326 -2.068 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001043998178 678408834 /nfs/dbraw/zinc/40/88/34/678408834.db2.gz NZXKRWUONGPOCM-SNVBAGLBSA-N 1 1 320.353 -1.586 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3cnon3)C2)C1 ZINC001044011128 678409221 /nfs/dbraw/zinc/40/92/21/678409221.db2.gz JTIDOAVYXCMAEI-SNVBAGLBSA-N 1 1 323.353 -1.286 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001044148863 678413978 /nfs/dbraw/zinc/41/39/78/678413978.db2.gz NWTQSUUVQITSGP-NSHDSACASA-N 1 1 323.397 -1.096 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001044141220 678414155 /nfs/dbraw/zinc/41/41/55/678414155.db2.gz MNELHRASBQHRDL-VIFPVBQESA-N 1 1 312.370 -1.160 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001044208370 678415906 /nfs/dbraw/zinc/41/59/06/678415906.db2.gz OBGZTQWQHHONNN-STQMWFEESA-N 1 1 321.381 -1.335 20 0 DAADMO CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001044235568 678416264 /nfs/dbraw/zinc/41/62/64/678416264.db2.gz GCFIZUIQSLJKBQ-AVERBVTBSA-N 1 1 323.393 -1.051 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001044262191 678417425 /nfs/dbraw/zinc/41/74/25/678417425.db2.gz MMPZENBQSYGFRC-SECBINFHSA-N 1 1 312.370 -1.160 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001044266214 678417690 /nfs/dbraw/zinc/41/76/90/678417690.db2.gz YKVSYAJHXQWADK-QWRGUYRKSA-N 1 1 324.381 -2.094 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001044297945 678419245 /nfs/dbraw/zinc/41/92/45/678419245.db2.gz PRPOUAYRDJMOSE-SNVBAGLBSA-N 1 1 308.386 -1.297 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2ncn(C)n2)C1 ZINC001044298906 678419287 /nfs/dbraw/zinc/41/92/87/678419287.db2.gz RGVYCPNFVGURAX-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001044308364 678419297 /nfs/dbraw/zinc/41/92/97/678419297.db2.gz FLUSMRSKQHISMQ-GXSJLCMTSA-N 1 1 305.400 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2n[nH]nc2C)C1 ZINC001044302852 678419575 /nfs/dbraw/zinc/41/95/75/678419575.db2.gz PFEFTNRQRCOBFR-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 ZINC001044302852 678419577 /nfs/dbraw/zinc/41/95/77/678419577.db2.gz PFEFTNRQRCOBFR-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1 ZINC001044302852 678419579 /nfs/dbraw/zinc/41/95/79/678419579.db2.gz PFEFTNRQRCOBFR-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)C1 ZINC001044322730 678419955 /nfs/dbraw/zinc/41/99/55/678419955.db2.gz POXRYDOSFKEQQJ-GFCCVEGCSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)C1 ZINC001044322730 678419958 /nfs/dbraw/zinc/41/99/58/678419958.db2.gz POXRYDOSFKEQQJ-GFCCVEGCSA-N 1 1 323.401 -1.427 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)C1 ZINC001044317839 678420229 /nfs/dbraw/zinc/42/02/29/678420229.db2.gz VWWPPINHQQPSJK-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@H]3CCNC3=O)C2)C1 ZINC001044317839 678420233 /nfs/dbraw/zinc/42/02/33/678420233.db2.gz VWWPPINHQQPSJK-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001044335290 678420700 /nfs/dbraw/zinc/42/07/00/678420700.db2.gz GRWCLGREQFFBMX-JTQLQIEISA-N 1 1 322.369 -1.444 20 0 DAADMO Cc1n[nH]cc1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044350306 678421011 /nfs/dbraw/zinc/42/10/11/678421011.db2.gz GSQFBCHDJTZUDL-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044367268 678422070 /nfs/dbraw/zinc/42/20/70/678422070.db2.gz YSFDIEAHIZSTAG-SNVBAGLBSA-N 1 1 322.369 -1.490 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001044443631 678426621 /nfs/dbraw/zinc/42/66/21/678426621.db2.gz NUCOBOMLZIOIOJ-MNOVXSKESA-N 1 1 324.381 -2.094 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC001044450043 678427147 /nfs/dbraw/zinc/42/71/47/678427147.db2.gz XGWOVISTQLZWGD-UWVGGRQHSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1ncnn1 ZINC001044605881 678430821 /nfs/dbraw/zinc/43/08/21/678430821.db2.gz UYIXIZRLIXRZTJ-VHSXEESVSA-N 1 1 320.361 -1.634 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1nccn1 ZINC001044614743 678430954 /nfs/dbraw/zinc/43/09/54/678430954.db2.gz GHOMGGIRLJTKNE-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776255 678435547 /nfs/dbraw/zinc/43/55/47/678435547.db2.gz JMIVHYZTSQQBRQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776255 678435552 /nfs/dbraw/zinc/43/55/52/678435552.db2.gz JMIVHYZTSQQBRQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776255 678435556 /nfs/dbraw/zinc/43/55/56/678435556.db2.gz JMIVHYZTSQQBRQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776255 678435559 /nfs/dbraw/zinc/43/55/59/678435559.db2.gz JMIVHYZTSQQBRQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776255 678435561 /nfs/dbraw/zinc/43/55/61/678435561.db2.gz JMIVHYZTSQQBRQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001044775877 678435952 /nfs/dbraw/zinc/43/59/52/678435952.db2.gz FZTJENYTXKZVAN-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044775877 678435953 /nfs/dbraw/zinc/43/59/53/678435953.db2.gz FZTJENYTXKZVAN-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044775877 678435956 /nfs/dbraw/zinc/43/59/56/678435956.db2.gz FZTJENYTXKZVAN-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044775877 678435959 /nfs/dbraw/zinc/43/59/59/678435959.db2.gz FZTJENYTXKZVAN-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044775877 678435961 /nfs/dbraw/zinc/43/59/61/678435961.db2.gz FZTJENYTXKZVAN-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001044776249 678435988 /nfs/dbraw/zinc/43/59/88/678435988.db2.gz JMIVHYZTSQQBRQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776249 678435992 /nfs/dbraw/zinc/43/59/92/678435992.db2.gz JMIVHYZTSQQBRQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044776249 678435996 /nfs/dbraw/zinc/43/59/96/678435996.db2.gz JMIVHYZTSQQBRQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776249 678435999 /nfs/dbraw/zinc/43/59/99/678435999.db2.gz JMIVHYZTSQQBRQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044776249 678436002 /nfs/dbraw/zinc/43/60/02/678436002.db2.gz JMIVHYZTSQQBRQ-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044777077 678436125 /nfs/dbraw/zinc/43/61/25/678436125.db2.gz SPQYUDFDHYETMM-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044777077 678436127 /nfs/dbraw/zinc/43/61/27/678436127.db2.gz SPQYUDFDHYETMM-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001044935676 678441981 /nfs/dbraw/zinc/44/19/81/678441981.db2.gz WRTFXXPFCITFOM-VIFPVBQESA-N 1 1 323.357 -2.535 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001044972247 678442799 /nfs/dbraw/zinc/44/27/99/678442799.db2.gz MCQCDUXKOXLBJH-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001045000758 678443050 /nfs/dbraw/zinc/44/30/50/678443050.db2.gz XFILZYVCEBFGSD-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001045003368 678443060 /nfs/dbraw/zinc/44/30/60/678443060.db2.gz FRCZNWBIURZWFP-VIFPVBQESA-N 1 1 321.345 -1.712 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001045007380 678443097 /nfs/dbraw/zinc/44/30/97/678443097.db2.gz VLNKEBLKKQQNEZ-QNWHQSFQSA-N 1 1 323.393 -1.338 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001045003698 678443151 /nfs/dbraw/zinc/44/31/51/678443151.db2.gz KRLBGDRKZHPCNB-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2ncnn2)nn1 ZINC001045040477 678444800 /nfs/dbraw/zinc/44/48/00/678444800.db2.gz GYFFEYVTMFKJRV-NSHDSACASA-N 1 1 305.346 -1.418 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2ncnn2)[nH]1 ZINC001045040463 678444924 /nfs/dbraw/zinc/44/49/24/678444924.db2.gz FXGFAGRQORANFK-JTQLQIEISA-N 1 1 305.346 -1.120 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)CC1=O ZINC001045060337 678445445 /nfs/dbraw/zinc/44/54/45/678445445.db2.gz OOGABYCPAGFNLG-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001045102359 678446152 /nfs/dbraw/zinc/44/61/52/678446152.db2.gz NYSLLKVZIJXAMM-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001045149650 678447054 /nfs/dbraw/zinc/44/70/54/678447054.db2.gz LXLOIDBKQSGMEW-NWDGAFQWSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001045150124 678447104 /nfs/dbraw/zinc/44/71/04/678447104.db2.gz CFIYLQURLLHAFQ-WDEREUQCSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001045156536 678447140 /nfs/dbraw/zinc/44/71/40/678447140.db2.gz CLQZBLRHOILHSY-QMMMGPOBSA-N 1 1 306.334 -1.872 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C ZINC001045166537 678447572 /nfs/dbraw/zinc/44/75/72/678447572.db2.gz OCWHMVMJVAYTQO-WDEREUQCSA-N 1 1 321.385 -1.089 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045165410 678447645 /nfs/dbraw/zinc/44/76/45/678447645.db2.gz QKSXHJWDQTUWTC-LBPRGKRZSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2C)n1 ZINC001045157945 678447713 /nfs/dbraw/zinc/44/77/13/678447713.db2.gz XQLMXPROIYAAFZ-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nnn(C)n2)nn1 ZINC001045158642 678447732 /nfs/dbraw/zinc/44/77/32/678447732.db2.gz AHWPBWRMASWAKG-JTQLQIEISA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001045175610 678448228 /nfs/dbraw/zinc/44/82/28/678448228.db2.gz JUOCXFIZBQQZMG-QWRGUYRKSA-N 1 1 307.358 -1.423 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045193307 678450357 /nfs/dbraw/zinc/45/03/57/678450357.db2.gz ZJIURSWJNKVQPP-UHFFFAOYSA-N 1 1 320.309 -1.422 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cccnn3)C2)C1 ZINC001045236357 678451901 /nfs/dbraw/zinc/45/19/01/678451901.db2.gz BHWNPHMPOOJXNP-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045281463 678453821 /nfs/dbraw/zinc/45/38/21/678453821.db2.gz JRXXCORWBPUGJB-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417223 678456140 /nfs/dbraw/zinc/45/61/40/678456140.db2.gz FULQZBQRBMVYGS-UHFFFAOYSA-N 1 1 324.385 -1.242 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001045500833 678461412 /nfs/dbraw/zinc/46/14/12/678461412.db2.gz WSBWBMJABVPXSP-VHSXEESVSA-N 1 1 312.370 -2.109 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045509248 678462719 /nfs/dbraw/zinc/46/27/19/678462719.db2.gz HYMARYARPSIYRX-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001045509230 678462843 /nfs/dbraw/zinc/46/28/43/678462843.db2.gz HVHADNWJNRANLJ-SECBINFHSA-N 1 1 321.337 -2.065 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045517541 678464189 /nfs/dbraw/zinc/46/41/89/678464189.db2.gz GNXABDBAJVNZGX-MRVPVSSYSA-N 1 1 300.315 -3.508 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045517541 678464192 /nfs/dbraw/zinc/46/41/92/678464192.db2.gz GNXABDBAJVNZGX-MRVPVSSYSA-N 1 1 300.315 -3.508 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001045521601 678464728 /nfs/dbraw/zinc/46/47/28/678464728.db2.gz IECIQTOSHCPPRW-UHFFFAOYSA-N 1 1 314.342 -3.117 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)c2nnn(C)n2)CC1 ZINC001045527028 678465012 /nfs/dbraw/zinc/46/50/12/678465012.db2.gz RRJIXTZSSJCVQQ-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO CC1(NC(=O)C2CC(=O)NC(=O)C2)CC[NH+](CC(N)=O)CC1 ZINC001045587338 678468535 /nfs/dbraw/zinc/46/85/35/678468535.db2.gz ZJQGRIYNOFZNSR-UHFFFAOYSA-N 1 1 310.354 -1.505 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001045710439 678469658 /nfs/dbraw/zinc/46/96/58/678469658.db2.gz PLPLJWOTLNYZCQ-UHFFFAOYSA-N 1 1 309.370 -1.407 20 0 DAADMO C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCc2nc[nH]n2)C1 ZINC001045710530 678469674 /nfs/dbraw/zinc/46/96/74/678469674.db2.gz WCOBQVABILASET-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO Cc1cc(C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001045710541 678469706 /nfs/dbraw/zinc/46/97/06/678469706.db2.gz WLTNPZHAQPXULG-UHFFFAOYSA-N 1 1 309.370 -1.027 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719779 678469895 /nfs/dbraw/zinc/46/98/95/678469895.db2.gz DHOWDYCNDUWJQX-UHFFFAOYSA-N 1 1 310.358 -1.632 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900109294 678471124 /nfs/dbraw/zinc/47/11/24/678471124.db2.gz IPNKAEKFRREGJU-DOMZBBRYSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900171084 678471450 /nfs/dbraw/zinc/47/14/50/678471450.db2.gz GQPUFTZCIFPCBQ-SWLSCSKDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900171084 678471453 /nfs/dbraw/zinc/47/14/53/678471453.db2.gz GQPUFTZCIFPCBQ-SWLSCSKDSA-N 1 1 312.414 -1.326 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001045827381 678471480 /nfs/dbraw/zinc/47/14/80/678471480.db2.gz MONWDUJAULXFJL-VWYCJHECSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)NC1=O ZINC001045827381 678471483 /nfs/dbraw/zinc/47/14/83/678471483.db2.gz MONWDUJAULXFJL-VWYCJHECSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001045827380 678471568 /nfs/dbraw/zinc/47/15/68/678471568.db2.gz MONWDUJAULXFJL-OUAUKWLOSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)NC1=O ZINC001045827380 678471571 /nfs/dbraw/zinc/47/15/71/678471571.db2.gz MONWDUJAULXFJL-OUAUKWLOSA-N 1 1 309.370 -1.439 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046002942 678472376 /nfs/dbraw/zinc/47/23/76/678472376.db2.gz AIEGUTGUVRTLOE-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001046002942 678472377 /nfs/dbraw/zinc/47/23/77/678472377.db2.gz AIEGUTGUVRTLOE-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnsn3)CC2)C1 ZINC001046008317 678472480 /nfs/dbraw/zinc/47/24/80/678472480.db2.gz RMVZOIRWQWFBNJ-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnsn3)CC2)C1 ZINC001046008317 678472484 /nfs/dbraw/zinc/47/24/84/678472484.db2.gz RMVZOIRWQWFBNJ-JTQLQIEISA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)CC(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046017977 678472880 /nfs/dbraw/zinc/47/28/80/678472880.db2.gz SLKAHUVYIOHARX-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO O=C(CCn1ccnn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024458 678472909 /nfs/dbraw/zinc/47/29/09/678472909.db2.gz LGWBEBJZGYQDOE-CQSZACIVSA-N 1 1 322.413 -1.121 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001046009898 678472965 /nfs/dbraw/zinc/47/29/65/678472965.db2.gz FTROADXHNBTZAZ-KBPBESRZSA-N 1 1 323.441 -1.216 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046024017 678473068 /nfs/dbraw/zinc/47/30/68/678473068.db2.gz BRLCOFRSNHFGOW-VXGBXAGGSA-N 1 1 312.370 -1.694 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046020499 678473128 /nfs/dbraw/zinc/47/31/28/678473128.db2.gz SMXHUMZXNXRPIH-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034524 678473668 /nfs/dbraw/zinc/47/36/68/678473668.db2.gz UBCTYKJAGFDJMC-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046034524 678473670 /nfs/dbraw/zinc/47/36/70/678473670.db2.gz UBCTYKJAGFDJMC-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046033063 678473696 /nfs/dbraw/zinc/47/36/96/678473696.db2.gz QHVNMIDTWDUPCO-ZENOOKHLSA-N 1 1 322.409 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)C1 ZINC001046033063 678473698 /nfs/dbraw/zinc/47/36/98/678473698.db2.gz QHVNMIDTWDUPCO-ZENOOKHLSA-N 1 1 322.409 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025467 678473707 /nfs/dbraw/zinc/47/37/07/678473707.db2.gz GNGYHWJXNUOAAB-LBPRGKRZSA-N 1 1 320.397 -1.012 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032314 678473856 /nfs/dbraw/zinc/47/38/56/678473856.db2.gz AJRBGQQIIDFSMT-UONOGXRCSA-N 1 1 322.413 -1.123 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046036668 678474116 /nfs/dbraw/zinc/47/41/16/678474116.db2.gz DGIFQGAUZJLXCF-UONOGXRCSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046035962 678474164 /nfs/dbraw/zinc/47/41/64/678474164.db2.gz XLPBSFJLIGSVOK-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030318 678474210 /nfs/dbraw/zinc/47/42/10/678474210.db2.gz OGYYRLRLUCSJDF-QWHCGFSZSA-N 1 1 323.401 -1.728 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046027433 678474293 /nfs/dbraw/zinc/47/42/93/678474293.db2.gz MGCHFLWAPPNWDN-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1nncc1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046027433 678474295 /nfs/dbraw/zinc/47/42/95/678474295.db2.gz MGCHFLWAPPNWDN-NSHDSACASA-N 1 1 321.385 -1.868 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001046025466 678474299 /nfs/dbraw/zinc/47/42/99/678474299.db2.gz GNGYHWJXNUOAAB-GFCCVEGCSA-N 1 1 320.397 -1.012 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046049456 678474616 /nfs/dbraw/zinc/47/46/16/678474616.db2.gz PDRVIWMLLVYNNT-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cncc1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046042448 678474704 /nfs/dbraw/zinc/47/47/04/678474704.db2.gz VEGRXNRISJMNFN-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cncc1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046042448 678474710 /nfs/dbraw/zinc/47/47/10/678474710.db2.gz VEGRXNRISJMNFN-GFCCVEGCSA-N 1 1 320.397 -1.263 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042759 678474735 /nfs/dbraw/zinc/47/47/35/678474735.db2.gz MNBFECONBHKZBY-NSHDSACASA-N 1 1 321.385 -1.617 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042759 678474741 /nfs/dbraw/zinc/47/47/41/678474741.db2.gz MNBFECONBHKZBY-NSHDSACASA-N 1 1 321.385 -1.617 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046049454 678474783 /nfs/dbraw/zinc/47/47/83/678474783.db2.gz PDRVIWMLLVYNNT-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCNC(=O)C3)CC2)C1 ZINC001046049956 678475057 /nfs/dbraw/zinc/47/50/57/678475057.db2.gz AZEUWWPLWOVKGE-CQSZACIVSA-N 1 1 323.441 -1.343 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042800 678475077 /nfs/dbraw/zinc/47/50/77/678475077.db2.gz MZXIJDIHUZAERJ-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1ccc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046057390 678475400 /nfs/dbraw/zinc/47/54/00/678475400.db2.gz NLWQWNXTAMEUGL-CYBMUJFWSA-N 1 1 320.397 -1.376 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001046057390 678475404 /nfs/dbraw/zinc/47/54/04/678475404.db2.gz NLWQWNXTAMEUGL-CYBMUJFWSA-N 1 1 320.397 -1.376 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046055494 678475450 /nfs/dbraw/zinc/47/54/50/678475450.db2.gz PUNWOZGBYDRFSE-LBPRGKRZSA-N 1 1 323.401 -1.311 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046054210 678475465 /nfs/dbraw/zinc/47/54/65/678475465.db2.gz JUZOVDYVBYBFDU-JTQLQIEISA-N 1 1 322.373 -2.473 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046054210 678475467 /nfs/dbraw/zinc/47/54/67/678475467.db2.gz JUZOVDYVBYBFDU-JTQLQIEISA-N 1 1 322.373 -2.473 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046056739 678475563 /nfs/dbraw/zinc/47/55/63/678475563.db2.gz IDSLPCAUJABPLJ-LBPRGKRZSA-N 1 1 321.385 -2.018 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057514 678475688 /nfs/dbraw/zinc/47/56/88/678475688.db2.gz PCSMVZOBCCKUSD-QWRGUYRKSA-N 1 1 311.386 -2.046 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046056392 678475906 /nfs/dbraw/zinc/47/59/06/678475906.db2.gz DFEGCANYWNGJJA-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046056763 678475957 /nfs/dbraw/zinc/47/59/57/678475957.db2.gz IJLUKUSHKOZMRD-QWRGUYRKSA-N 1 1 311.386 -2.175 20 0 DAADMO COCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046062777 678476163 /nfs/dbraw/zinc/47/61/63/678476163.db2.gz JIAMSMIXYJHMKQ-MJBXVCDLSA-N 1 1 324.425 -1.027 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)[nH]c1=O ZINC001046061447 678476226 /nfs/dbraw/zinc/47/62/26/678476226.db2.gz MAAXMOGMGBPSPM-LBPRGKRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN1CC(C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)=NC1=O ZINC001046061447 678476228 /nfs/dbraw/zinc/47/62/28/678476228.db2.gz MAAXMOGMGBPSPM-LBPRGKRZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN1CC(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)=NC1=O ZINC001046061447 678476231 /nfs/dbraw/zinc/47/62/31/678476231.db2.gz MAAXMOGMGBPSPM-LBPRGKRZSA-N 1 1 323.397 -1.050 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046058717 678476252 /nfs/dbraw/zinc/47/62/52/678476252.db2.gz RPGPRGCQGVOKEO-RYUDHWBXSA-N 1 1 311.386 -2.121 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046059099 678476313 /nfs/dbraw/zinc/47/63/13/678476313.db2.gz YWKMUEGOJUWMGZ-NWDGAFQWSA-N 1 1 313.377 -1.144 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 ZINC001046062033 678476349 /nfs/dbraw/zinc/47/63/49/678476349.db2.gz QPKCLBHGDWXEJG-SNVBAGLBSA-N 1 1 324.360 -1.134 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 ZINC001046062033 678476352 /nfs/dbraw/zinc/47/63/52/678476352.db2.gz QPKCLBHGDWXEJG-SNVBAGLBSA-N 1 1 324.360 -1.134 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 ZINC001046062028 678476358 /nfs/dbraw/zinc/47/63/58/678476358.db2.gz QPKCLBHGDWXEJG-JTQLQIEISA-N 1 1 324.360 -1.134 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3n[nH]cc3F)CC2)C1 ZINC001046062028 678476360 /nfs/dbraw/zinc/47/63/60/678476360.db2.gz QPKCLBHGDWXEJG-JTQLQIEISA-N 1 1 324.360 -1.134 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046059101 678476402 /nfs/dbraw/zinc/47/64/02/678476402.db2.gz YWKMUEGOJUWMGZ-VXGBXAGGSA-N 1 1 313.377 -1.144 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)cn1 ZINC001046059122 678476520 /nfs/dbraw/zinc/47/65/20/678476520.db2.gz ZNHHBLDNSTVOND-CYBMUJFWSA-N 1 1 320.397 -1.376 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046058588 678476533 /nfs/dbraw/zinc/47/65/33/678476533.db2.gz NRACJDAPVNMICX-GFCCVEGCSA-N 1 1 323.397 -2.078 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063499 678476634 /nfs/dbraw/zinc/47/66/34/678476634.db2.gz PNVTYTIZLVTXAG-TUAOUCFPSA-N 1 1 323.397 -2.188 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001046063499 678476635 /nfs/dbraw/zinc/47/66/35/678476635.db2.gz PNVTYTIZLVTXAG-TUAOUCFPSA-N 1 1 323.397 -2.188 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046059098 678476717 /nfs/dbraw/zinc/47/67/17/678476717.db2.gz YWKMUEGOJUWMGZ-NEPJUHHUSA-N 1 1 313.377 -1.144 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccncn3)CC2)C1 ZINC001046072820 678476993 /nfs/dbraw/zinc/47/69/93/678476993.db2.gz OCIWJSBAQXDVAM-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccncn3)CC2)C1 ZINC001046072820 678476998 /nfs/dbraw/zinc/47/69/98/678476998.db2.gz OCIWJSBAQXDVAM-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001046081657 678477202 /nfs/dbraw/zinc/47/72/02/678477202.db2.gz HSHNYHZKCADKOB-UONOGXRCSA-N 1 1 323.441 -1.358 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046079571 678477300 /nfs/dbraw/zinc/47/73/00/678477300.db2.gz VMCFXVMGLMNAER-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046079571 678477303 /nfs/dbraw/zinc/47/73/03/678477303.db2.gz VMCFXVMGLMNAER-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046079571 678477305 /nfs/dbraw/zinc/47/73/05/678477305.db2.gz VMCFXVMGLMNAER-ZDUSSCGKSA-N 1 1 322.413 -1.052 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081076 678477319 /nfs/dbraw/zinc/47/73/19/678477319.db2.gz FGCQCLQUDGKWPZ-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081076 678477320 /nfs/dbraw/zinc/47/73/20/678477320.db2.gz FGCQCLQUDGKWPZ-GFCCVEGCSA-N 1 1 321.385 -2.018 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1 ZINC001046072758 678477390 /nfs/dbraw/zinc/47/73/90/678477390.db2.gz MSOMNKZAWSACLP-QWRGUYRKSA-N 1 1 322.369 -1.225 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073958 678477435 /nfs/dbraw/zinc/47/74/35/678477435.db2.gz PXHAIUMQLZZNRT-LBPRGKRZSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046073958 678477438 /nfs/dbraw/zinc/47/74/38/678477438.db2.gz PXHAIUMQLZZNRT-LBPRGKRZSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C(CCn1cnnn1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046073723 678477444 /nfs/dbraw/zinc/47/74/44/678477444.db2.gz KYNJSQZVIYMPEL-ZDUSSCGKSA-N 1 1 323.401 -1.726 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046072213 678477450 /nfs/dbraw/zinc/47/74/50/678477450.db2.gz VMFRPXNQSYYZGX-NSHDSACASA-N 1 1 321.385 -1.617 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046072213 678477452 /nfs/dbraw/zinc/47/74/52/678477452.db2.gz VMFRPXNQSYYZGX-NSHDSACASA-N 1 1 321.385 -1.617 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccnn3)CC2)C1 ZINC001046074216 678477704 /nfs/dbraw/zinc/47/77/04/678477704.db2.gz VNVYYNNGMNMJKR-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccnn3)CC2)C1 ZINC001046074216 678477707 /nfs/dbraw/zinc/47/77/07/678477707.db2.gz VNVYYNNGMNMJKR-GFCCVEGCSA-N 1 1 318.381 -1.206 20 0 DAADMO Cc1nonc1C(=O)N1CCN([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046087945 678478368 /nfs/dbraw/zinc/47/83/68/678478368.db2.gz BERSLTSZLFZOFF-LLVKDONJSA-N 1 1 322.369 -1.305 20 0 DAADMO Cc1nonc1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046087945 678478370 /nfs/dbraw/zinc/47/83/70/678478370.db2.gz BERSLTSZLFZOFF-LLVKDONJSA-N 1 1 322.369 -1.305 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293542 678481268 /nfs/dbraw/zinc/48/12/68/678481268.db2.gz MWKRJDYMUZLCED-HZMBPMFUSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293542 678481270 /nfs/dbraw/zinc/48/12/70/678481270.db2.gz MWKRJDYMUZLCED-HZMBPMFUSA-N 1 1 320.353 -1.186 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389326 678481578 /nfs/dbraw/zinc/48/15/78/678481578.db2.gz GVGZJAGUKDXRNN-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389326 678481581 /nfs/dbraw/zinc/48/15/81/678481581.db2.gz GVGZJAGUKDXRNN-AWEZNQCLSA-N 1 1 307.354 -1.280 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389833 678481931 /nfs/dbraw/zinc/48/19/31/678481931.db2.gz QSKWWXMAETZIAO-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389833 678481934 /nfs/dbraw/zinc/48/19/34/678481934.db2.gz QSKWWXMAETZIAO-YMTOWFKASA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@H+](CC(N)=O)C1 ZINC001046432645 678481948 /nfs/dbraw/zinc/48/19/48/678481948.db2.gz UHPNNPWLIPDPAU-XPTSAGLGSA-N 1 1 322.369 -1.388 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046432645 678481951 /nfs/dbraw/zinc/48/19/51/678481951.db2.gz UHPNNPWLIPDPAU-XPTSAGLGSA-N 1 1 322.369 -1.388 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001046389806 678482104 /nfs/dbraw/zinc/48/21/04/678482104.db2.gz QDVWGAOHMNEAOR-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001046389806 678482105 /nfs/dbraw/zinc/48/21/05/678482105.db2.gz QDVWGAOHMNEAOR-NHYWBVRUSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389327 678482195 /nfs/dbraw/zinc/48/21/95/678482195.db2.gz GVGZJAGUKDXRNN-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001046389327 678482196 /nfs/dbraw/zinc/48/21/96/678482196.db2.gz GVGZJAGUKDXRNN-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001046389807 678482299 /nfs/dbraw/zinc/48/22/99/678482299.db2.gz QDVWGAOHMNEAOR-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)cc1=O ZINC001046389807 678482301 /nfs/dbraw/zinc/48/23/01/678482301.db2.gz QDVWGAOHMNEAOR-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900807023 678482774 /nfs/dbraw/zinc/48/27/74/678482774.db2.gz VCQFCSYXMAKLCY-JQWIXIFHSA-N 1 1 318.443 -1.372 20 0 DAADMO CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046502777 678483429 /nfs/dbraw/zinc/48/34/29/678483429.db2.gz NFAMGYQGDXGZGB-GWCFXTLKSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC[N@@H+](CCO)C1 ZINC001046505335 678483623 /nfs/dbraw/zinc/48/36/23/678483623.db2.gz GJIBEMJKNYNXIR-FZMZJTMJSA-N 1 1 307.354 -1.062 20 0 DAADMO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@H]1C[N@@H+](C)CCN1C ZINC000900812015 678483697 /nfs/dbraw/zinc/48/36/97/678483697.db2.gz QMVCIKBFEHWTAI-WDEREUQCSA-N 1 1 307.402 -1.285 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001046531403 678484044 /nfs/dbraw/zinc/48/40/44/678484044.db2.gz OREXMDALYZKNKK-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001046531403 678484047 /nfs/dbraw/zinc/48/40/47/678484047.db2.gz OREXMDALYZKNKK-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001046531403 678484051 /nfs/dbraw/zinc/48/40/51/678484051.db2.gz OREXMDALYZKNKK-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046538757 678484360 /nfs/dbraw/zinc/48/43/60/678484360.db2.gz LMBDRJKCHKLYJH-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046538757 678484362 /nfs/dbraw/zinc/48/43/62/678484362.db2.gz LMBDRJKCHKLYJH-IAQYHMDHSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)Cc2ncc[nH]2)C1 ZINC001046525736 678484463 /nfs/dbraw/zinc/48/44/63/678484463.db2.gz QLRXESYHHYBSFX-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046540319 678484571 /nfs/dbraw/zinc/48/45/71/678484571.db2.gz WWRQOXXSWMRICG-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001046544767 678485188 /nfs/dbraw/zinc/48/51/88/678485188.db2.gz SJVXJBNHBAFFMI-ZANVPECISA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001046544767 678485190 /nfs/dbraw/zinc/48/51/90/678485190.db2.gz SJVXJBNHBAFFMI-ZANVPECISA-N 1 1 307.358 -1.317 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549256 678485545 /nfs/dbraw/zinc/48/55/45/678485545.db2.gz ZZLTXPGIEXJBMY-ZANVPECISA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549256 678485547 /nfs/dbraw/zinc/48/55/47/678485547.db2.gz ZZLTXPGIEXJBMY-ZANVPECISA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549254 678485704 /nfs/dbraw/zinc/48/57/04/678485704.db2.gz ZZLTXPGIEXJBMY-RNCFNFMXSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046549254 678485706 /nfs/dbraw/zinc/48/57/06/678485706.db2.gz ZZLTXPGIEXJBMY-RNCFNFMXSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046585261 678486123 /nfs/dbraw/zinc/48/61/23/678486123.db2.gz FYKPTDVZTYFATD-GXFFZTMASA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046585263 678486361 /nfs/dbraw/zinc/48/63/61/678486361.db2.gz FYKPTDVZTYFATD-ZWNOBZJWSA-N 1 1 307.358 -1.460 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584433 678486417 /nfs/dbraw/zinc/48/64/17/678486417.db2.gz AYAMAAUILZEDFK-XHDPSFHLSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001046584433 678486420 /nfs/dbraw/zinc/48/64/20/678486420.db2.gz AYAMAAUILZEDFK-XHDPSFHLSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046589251 678486823 /nfs/dbraw/zinc/48/68/23/678486823.db2.gz UIIBHOPTOXPNGD-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046589251 678486827 /nfs/dbraw/zinc/48/68/27/678486827.db2.gz UIIBHOPTOXPNGD-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046586036 678487127 /nfs/dbraw/zinc/48/71/27/678487127.db2.gz IULDTGIYNOLLFZ-IINYFYTJSA-N 1 1 324.385 -1.726 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046587939 678487165 /nfs/dbraw/zinc/48/71/65/678487165.db2.gz MFRMFMDXQXXHIW-QMTHXVAHSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046587939 678487167 /nfs/dbraw/zinc/48/71/67/678487167.db2.gz MFRMFMDXQXXHIW-QMTHXVAHSA-N 1 1 309.370 -1.473 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3ncn[n-]3)C2)C1 ZINC001046677337 678488099 /nfs/dbraw/zinc/48/80/99/678488099.db2.gz SKSNSFHOMOFTPA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001046677337 678488104 /nfs/dbraw/zinc/48/81/04/678488104.db2.gz SKSNSFHOMOFTPA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001046677337 678488106 /nfs/dbraw/zinc/48/81/06/678488106.db2.gz SKSNSFHOMOFTPA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001046666442 678488317 /nfs/dbraw/zinc/48/83/17/678488317.db2.gz CRTDNDRVRHFSAP-OAHLLOKOSA-N 1 1 324.381 -1.339 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)c(=O)n(C)c1=O ZINC001046666441 678488333 /nfs/dbraw/zinc/48/83/33/678488333.db2.gz CRTDNDRVRHFSAP-HNNXBMFYSA-N 1 1 324.381 -1.339 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001046691751 678488690 /nfs/dbraw/zinc/48/86/90/678488690.db2.gz LSGNCAMLBVWIQX-NXEZZACHSA-N 1 1 322.369 -1.695 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046696616 678488700 /nfs/dbraw/zinc/48/87/00/678488700.db2.gz ZIUJHZYQQGDAHO-ZUZCIYMTSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001046699688 678488719 /nfs/dbraw/zinc/48/87/19/678488719.db2.gz PQYOIKOAVDMDRP-BONVTDFDSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001046699688 678488723 /nfs/dbraw/zinc/48/87/23/678488723.db2.gz PQYOIKOAVDMDRP-BONVTDFDSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001046685686 678488769 /nfs/dbraw/zinc/48/87/69/678488769.db2.gz VNLTYYZAJSOXHV-UWVGGRQHSA-N 1 1 312.370 -2.251 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001046685401 678488783 /nfs/dbraw/zinc/48/87/83/678488783.db2.gz SLMPWLUKAYZLGK-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685401 678488787 /nfs/dbraw/zinc/48/87/87/678488787.db2.gz SLMPWLUKAYZLGK-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001046685401 678488790 /nfs/dbraw/zinc/48/87/90/678488790.db2.gz SLMPWLUKAYZLGK-WDEREUQCSA-N 1 1 321.381 -1.090 20 0 DAADMO C[C@@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@H+](CC(N)=O)C1 ZINC001046697118 678488801 /nfs/dbraw/zinc/48/88/01/678488801.db2.gz ATRMJMHHSVOYJR-FEUBCLPYSA-N 1 1 323.353 -1.960 20 0 DAADMO C[C@@]1(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC[N@@H+](CC(N)=O)C1 ZINC001046697118 678488805 /nfs/dbraw/zinc/48/88/05/678488805.db2.gz ATRMJMHHSVOYJR-FEUBCLPYSA-N 1 1 323.353 -1.960 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)S1(=O)=O ZINC001046689636 678488953 /nfs/dbraw/zinc/48/89/53/678488953.db2.gz MGKBBVNHZHEWNW-JQWIXIFHSA-N 1 1 305.400 -1.407 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685450 678488970 /nfs/dbraw/zinc/48/89/70/678488970.db2.gz TUFNCCDCXINUMJ-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046696614 678488989 /nfs/dbraw/zinc/48/89/89/678488989.db2.gz ZIUJHZYQQGDAHO-BONVTDFDSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046696615 678488997 /nfs/dbraw/zinc/48/89/97/678488997.db2.gz ZIUJHZYQQGDAHO-MEBBXXQBSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695249 678489041 /nfs/dbraw/zinc/48/90/41/678489041.db2.gz KMAIBPHQYZTFDW-XLKFXECMSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695249 678489042 /nfs/dbraw/zinc/48/90/42/678489042.db2.gz KMAIBPHQYZTFDW-XLKFXECMSA-N 1 1 310.354 -1.506 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001046686096 678489063 /nfs/dbraw/zinc/48/90/63/678489063.db2.gz ZBSNFWNGOIRWFN-VHSXEESVSA-N 1 1 323.353 -1.430 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695911 678489067 /nfs/dbraw/zinc/48/90/67/678489067.db2.gz RRDGLKIIYJGAKJ-RFAUZJTJSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695911 678489070 /nfs/dbraw/zinc/48/90/70/678489070.db2.gz RRDGLKIIYJGAKJ-RFAUZJTJSA-N 1 1 324.381 -1.246 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)S1(=O)=O ZINC001046689637 678489123 /nfs/dbraw/zinc/48/91/23/678489123.db2.gz MGKBBVNHZHEWNW-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046712421 678489673 /nfs/dbraw/zinc/48/96/73/678489673.db2.gz IQKIQYXGRMOGOL-VWYCJHECSA-N 1 1 324.381 -2.109 20 0 DAADMO C[C@@]1(NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@@H+](CCO)C1 ZINC001046768682 678491163 /nfs/dbraw/zinc/49/11/63/678491163.db2.gz CTEWZXHEHDBINK-CYBMUJFWSA-N 1 1 306.326 -1.396 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046843740 678492196 /nfs/dbraw/zinc/49/21/96/678492196.db2.gz CPBJBYRQSPYKTO-JOYOIKCWSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046843740 678492199 /nfs/dbraw/zinc/49/21/99/678492199.db2.gz CPBJBYRQSPYKTO-JOYOIKCWSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](CCCO)C1 ZINC001046845128 678492257 /nfs/dbraw/zinc/49/22/57/678492257.db2.gz VJVHZAUKVJSBNF-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@]1(NC(=O)C2CCN(C(N)=O)CC2)CC[N@H+](CC(N)=O)C1 ZINC001046822922 678492335 /nfs/dbraw/zinc/49/23/35/678492335.db2.gz FVDPZOGMBLEAQK-CQSZACIVSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@]1(NC(=O)C2CCN(C(N)=O)CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046822922 678492338 /nfs/dbraw/zinc/49/23/38/678492338.db2.gz FVDPZOGMBLEAQK-CQSZACIVSA-N 1 1 311.386 -1.157 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046844325 678492393 /nfs/dbraw/zinc/49/23/93/678492393.db2.gz NYOLPNFCTWDRCA-ZYHUDNBSSA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854449 678492410 /nfs/dbraw/zinc/49/24/10/678492410.db2.gz PIJOZGWQSYWPJI-OQPBUACISA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854449 678492412 /nfs/dbraw/zinc/49/24/12/678492412.db2.gz PIJOZGWQSYWPJI-OQPBUACISA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+](CC(N)=O)C1 ZINC001046844568 678492468 /nfs/dbraw/zinc/49/24/68/678492468.db2.gz QOOKLPLKSNLCNF-LDYMZIIASA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+](CC(N)=O)C1 ZINC001046844568 678492470 /nfs/dbraw/zinc/49/24/70/678492470.db2.gz QOOKLPLKSNLCNF-LDYMZIIASA-N 1 1 304.372 -2.256 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046821314 678492525 /nfs/dbraw/zinc/49/25/25/678492525.db2.gz UKWKNHJYTDOQFA-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046821314 678492526 /nfs/dbraw/zinc/49/25/26/678492526.db2.gz UKWKNHJYTDOQFA-CQSZACIVSA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1nc(C(=O)N[C@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001046822683 678492532 /nfs/dbraw/zinc/49/25/32/678492532.db2.gz SNCQPSRGRUKEHZ-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001046822683 678492535 /nfs/dbraw/zinc/49/25/35/678492535.db2.gz SNCQPSRGRUKEHZ-XHDPSFHLSA-N 1 1 319.365 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046843741 678492725 /nfs/dbraw/zinc/49/27/25/678492725.db2.gz CPBJBYRQSPYKTO-SKDRFNHKSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046843741 678492729 /nfs/dbraw/zinc/49/27/29/678492729.db2.gz CPBJBYRQSPYKTO-SKDRFNHKSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](CCCO)C1 ZINC001046845126 678492736 /nfs/dbraw/zinc/49/27/36/678492736.db2.gz VJVHZAUKVJSBNF-CMPLNLGQSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCc3nncn3C2)CC[N@H+](CC(N)=O)C1 ZINC001046855765 678493022 /nfs/dbraw/zinc/49/30/22/678493022.db2.gz WKCJKRMLXSXQFW-QMTHXVAHSA-N 1 1 306.370 -1.094 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CCc3nncn3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046855765 678493026 /nfs/dbraw/zinc/49/30/26/678493026.db2.gz WKCJKRMLXSXQFW-QMTHXVAHSA-N 1 1 306.370 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046858324 678493047 /nfs/dbraw/zinc/49/30/47/678493047.db2.gz DKHGKFFWQHREQN-AWEZNQCLSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046858324 678493052 /nfs/dbraw/zinc/49/30/52/678493052.db2.gz DKHGKFFWQHREQN-AWEZNQCLSA-N 1 1 309.370 -1.336 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859005 678493158 /nfs/dbraw/zinc/49/31/58/678493158.db2.gz IIVLXYJETLRFEV-YMTOWFKASA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859005 678493160 /nfs/dbraw/zinc/49/31/60/678493160.db2.gz IIVLXYJETLRFEV-YMTOWFKASA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854880 678493365 /nfs/dbraw/zinc/49/33/65/678493365.db2.gz VZJLAOOBHARBBC-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046904497 678496660 /nfs/dbraw/zinc/49/66/60/678496660.db2.gz GVJWUDGBENMJFM-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904497 678496662 /nfs/dbraw/zinc/49/66/62/678496662.db2.gz GVJWUDGBENMJFM-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046904497 678496665 /nfs/dbraw/zinc/49/66/65/678496665.db2.gz GVJWUDGBENMJFM-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3nc[nH]n3)C2)C1 ZINC001046905617 678496999 /nfs/dbraw/zinc/49/69/99/678496999.db2.gz ULLBPXRYIQKEQK-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3nnc[nH]3)C2)C1 ZINC001046905617 678497001 /nfs/dbraw/zinc/49/70/01/678497001.db2.gz ULLBPXRYIQKEQK-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3nnc[nH]3)C2)C1 ZINC001046905617 678497003 /nfs/dbraw/zinc/49/70/03/678497003.db2.gz ULLBPXRYIQKEQK-JTQLQIEISA-N 1 1 322.369 -2.012 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccnnc2)C1 ZINC001047120951 678499221 /nfs/dbraw/zinc/49/92/21/678499221.db2.gz BSNSCXCWVBFNHX-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)C1 ZINC001047136896 678500212 /nfs/dbraw/zinc/50/02/12/678500212.db2.gz YBEQTKQIQSKPCF-NWDGAFQWSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC34CC4)C2)C1 ZINC001047136896 678500218 /nfs/dbraw/zinc/50/02/18/678500218.db2.gz YBEQTKQIQSKPCF-NWDGAFQWSA-N 1 1 323.393 -1.193 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nnnn1C1CC1)C2 ZINC001047136944 678500552 /nfs/dbraw/zinc/50/05/52/678500552.db2.gz ZKHUDUIFQVPAOY-QXEWZRGKSA-N 1 1 319.369 -1.038 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001047136944 678500556 /nfs/dbraw/zinc/50/05/56/678500556.db2.gz ZKHUDUIFQVPAOY-QXEWZRGKSA-N 1 1 319.369 -1.038 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047183182 678501491 /nfs/dbraw/zinc/50/14/91/678501491.db2.gz LNWUKYFHYMLWPY-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001047183181 678501833 /nfs/dbraw/zinc/50/18/33/678501833.db2.gz LNWUKYFHYMLWPY-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047198110 678502538 /nfs/dbraw/zinc/50/25/38/678502538.db2.gz STLSHHBOPCKCCP-AXFHLTTASA-N 1 1 310.354 -1.500 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)c(=O)n1C ZINC001047192334 678502616 /nfs/dbraw/zinc/50/26/16/678502616.db2.gz QYRRKLNBWSEGGT-XQQFMLRXSA-N 1 1 323.397 -1.148 20 0 DAADMO CN(C(=O)c1cnccn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047286328 678503405 /nfs/dbraw/zinc/50/34/05/678503405.db2.gz MSQHRUGGANKTNM-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cnccn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047286328 678503407 /nfs/dbraw/zinc/50/34/07/678503407.db2.gz MSQHRUGGANKTNM-STQMWFEESA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047295011 678503667 /nfs/dbraw/zinc/50/36/67/678503667.db2.gz COQSICPNFNXJLX-AGIUHOORSA-N 1 1 324.385 -1.254 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047295655 678503788 /nfs/dbraw/zinc/50/37/88/678503788.db2.gz QBWQFSPBSVJUAU-WOPDTQHZSA-N 1 1 310.358 -1.787 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296199 678503848 /nfs/dbraw/zinc/50/38/48/678503848.db2.gz ZQQNVBALPSVIMM-UTLUCORTSA-N 1 1 311.346 -2.560 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296199 678503851 /nfs/dbraw/zinc/50/38/51/678503851.db2.gz ZQQNVBALPSVIMM-UTLUCORTSA-N 1 1 311.346 -2.560 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302990 678504669 /nfs/dbraw/zinc/50/46/69/678504669.db2.gz UPXZDHUKLFIKCP-AVGNSLFASA-N 1 1 323.397 -1.137 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001047302990 678504674 /nfs/dbraw/zinc/50/46/74/678504674.db2.gz UPXZDHUKLFIKCP-AVGNSLFASA-N 1 1 323.397 -1.137 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047309438 678505197 /nfs/dbraw/zinc/50/51/97/678505197.db2.gz DDSGVUSDQGGRCV-WOPDTQHZSA-N 1 1 307.354 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001047321620 678506611 /nfs/dbraw/zinc/50/66/11/678506611.db2.gz GXCCDFLYYGUCSB-WOPDTQHZSA-N 1 1 323.401 -1.692 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047325914 678507301 /nfs/dbraw/zinc/50/73/01/678507301.db2.gz LGKQAGUOSSJMJP-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047325914 678507305 /nfs/dbraw/zinc/50/73/05/678507305.db2.gz LGKQAGUOSSJMJP-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001047323977 678507334 /nfs/dbraw/zinc/50/73/34/678507334.db2.gz DVTLEEHEEYSXEP-IHRRRGAJSA-N 1 1 322.413 -1.087 20 0 DAADMO CN(C(=O)Cc1ccon1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047325476 678507671 /nfs/dbraw/zinc/50/76/71/678507671.db2.gz DQHZJNHRAVDSNL-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)Cc1ccon1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047325476 678507673 /nfs/dbraw/zinc/50/76/73/678507673.db2.gz DQHZJNHRAVDSNL-AGIUHOORSA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047324203 678507718 /nfs/dbraw/zinc/50/77/18/678507718.db2.gz LLFZWJLWMRMSML-IHRRRGAJSA-N 1 1 324.425 -1.137 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001047365260 678511657 /nfs/dbraw/zinc/51/16/57/678511657.db2.gz LUXBWFSBYOICRO-AVGNSLFASA-N 1 1 321.381 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001047365260 678511660 /nfs/dbraw/zinc/51/16/60/678511660.db2.gz LUXBWFSBYOICRO-AVGNSLFASA-N 1 1 321.381 -1.214 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047367875 678511683 /nfs/dbraw/zinc/51/16/83/678511683.db2.gz NILWAKFKVXCBEC-VWYCJHECSA-N 1 1 324.341 -2.110 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047367875 678511686 /nfs/dbraw/zinc/51/16/86/678511686.db2.gz NILWAKFKVXCBEC-VWYCJHECSA-N 1 1 324.341 -2.110 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001047365258 678511702 /nfs/dbraw/zinc/51/17/02/678511702.db2.gz LUXBWFSBYOICRO-AGIUHOORSA-N 1 1 321.381 -1.214 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001047365258 678511706 /nfs/dbraw/zinc/51/17/06/678511706.db2.gz LUXBWFSBYOICRO-AGIUHOORSA-N 1 1 321.381 -1.214 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047370510 678512116 /nfs/dbraw/zinc/51/21/16/678512116.db2.gz LDSAFDLLZVMWNE-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047370510 678512119 /nfs/dbraw/zinc/51/21/19/678512119.db2.gz LDSAFDLLZVMWNE-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047370666 678512311 /nfs/dbraw/zinc/51/23/11/678512311.db2.gz PRVPXAJKEGEURF-RYUDHWBXSA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047370666 678512312 /nfs/dbraw/zinc/51/23/12/678512312.db2.gz PRVPXAJKEGEURF-RYUDHWBXSA-N 1 1 319.369 -1.171 20 0 DAADMO COc1cc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)ncn1 ZINC001047380973 678513533 /nfs/dbraw/zinc/51/35/33/678513533.db2.gz CCZHULSWSJDLOD-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047380911 678513863 /nfs/dbraw/zinc/51/38/63/678513863.db2.gz ABOFFDJJXONLJC-QWRGUYRKSA-N 1 1 321.345 -2.532 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047380911 678513866 /nfs/dbraw/zinc/51/38/66/678513866.db2.gz ABOFFDJJXONLJC-QWRGUYRKSA-N 1 1 321.345 -2.532 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001047381539 678514129 /nfs/dbraw/zinc/51/41/29/678514129.db2.gz NCBBDSVJVOIBSB-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C)c1cnc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001047381539 678514131 /nfs/dbraw/zinc/51/41/31/678514131.db2.gz NCBBDSVJVOIBSB-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381062 678514135 /nfs/dbraw/zinc/51/41/35/678514135.db2.gz FMCJEHBKTZDEKU-UTLUCORTSA-N 1 1 311.346 -2.560 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381062 678514137 /nfs/dbraw/zinc/51/41/37/678514137.db2.gz FMCJEHBKTZDEKU-UTLUCORTSA-N 1 1 311.346 -2.560 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047385075 678514143 /nfs/dbraw/zinc/51/41/43/678514143.db2.gz XMQPDELMFGVLDM-NDBYEHHHSA-N 1 1 312.414 -1.424 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047384472 678514628 /nfs/dbraw/zinc/51/46/28/678514628.db2.gz SKJCWYKICLOJGH-NDBYEHHHSA-N 1 1 313.398 -1.213 20 0 DAADMO CN(C(=O)c1cccn2nnnc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047392395 678514783 /nfs/dbraw/zinc/51/47/83/678514783.db2.gz FSDJTKVFHRMJDD-QWRGUYRKSA-N 1 1 306.326 -1.766 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397640 678514831 /nfs/dbraw/zinc/51/48/31/678514831.db2.gz BQGOUELVILVYLH-SRVKXCTJSA-N 1 1 324.385 -1.742 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397640 678514833 /nfs/dbraw/zinc/51/48/33/678514833.db2.gz BQGOUELVILVYLH-SRVKXCTJSA-N 1 1 324.385 -1.742 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccn3nnnc23)C1 ZINC001047394364 678514917 /nfs/dbraw/zinc/51/49/17/678514917.db2.gz CYCAYBKYSSPQGF-USWWRNFRSA-N 1 1 320.353 -1.378 20 0 DAADMO CN(C(=O)c1cccn2nnnc12)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047393112 678515151 /nfs/dbraw/zinc/51/51/51/678515151.db2.gz WLAVPLHSBSKMSI-RYUDHWBXSA-N 1 1 320.353 -1.376 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047398367 678515914 /nfs/dbraw/zinc/51/59/14/678515914.db2.gz ZNLALJYVJOOHAF-AVGNSLFASA-N 1 1 309.370 -1.182 20 0 DAADMO CN(C(=O)C[C@@H]1CCC(=O)NC1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047406590 678516354 /nfs/dbraw/zinc/51/63/54/678516354.db2.gz IDOGZVHMVJBESV-AVGNSLFASA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C(=O)c1ccnc2ccnn21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047406876 678516485 /nfs/dbraw/zinc/51/64/85/678516485.db2.gz SRWFEHOEVFJEMH-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)Cn1cc(C2CC2)nn1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047406390 678516531 /nfs/dbraw/zinc/51/65/31/678516531.db2.gz DNVWGRNECMUJJU-STQMWFEESA-N 1 1 309.370 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047411058 678517034 /nfs/dbraw/zinc/51/70/34/678517034.db2.gz TWMSDJXSVLZVRX-SRVKXCTJSA-N 1 1 315.370 -2.271 20 0 DAADMO CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047414425 678517126 /nfs/dbraw/zinc/51/71/26/678517126.db2.gz LGTIQKOSCIARJA-CIUDSAMLSA-N 1 1 300.315 -2.920 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414695 678517252 /nfs/dbraw/zinc/51/72/52/678517252.db2.gz SDNCYJVUVUQQBE-DCAQKATOSA-N 1 1 312.370 -1.256 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047410030 678517259 /nfs/dbraw/zinc/51/72/59/678517259.db2.gz BWSWOGVVESVTFC-STQMWFEESA-N 1 1 311.382 -1.241 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001047415432 678517263 /nfs/dbraw/zinc/51/72/63/678517263.db2.gz XRWQFAYGURYGLN-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO Cc1cc(=O)c(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)cn1C ZINC001047419163 678517834 /nfs/dbraw/zinc/51/78/34/678517834.db2.gz RANQBPCPBRLVQX-JSGCOSHPSA-N 1 1 309.366 -1.197 20 0 DAADMO Cc1cc(=O)c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1C ZINC001047419163 678517837 /nfs/dbraw/zinc/51/78/37/678517837.db2.gz RANQBPCPBRLVQX-JSGCOSHPSA-N 1 1 309.366 -1.197 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423759 678518024 /nfs/dbraw/zinc/51/80/24/678518024.db2.gz AULHCDOTDIBREH-DCAQKATOSA-N 1 1 323.353 -1.437 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423759 678518026 /nfs/dbraw/zinc/51/80/26/678518026.db2.gz AULHCDOTDIBREH-DCAQKATOSA-N 1 1 323.353 -1.437 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001047432998 678518385 /nfs/dbraw/zinc/51/83/85/678518385.db2.gz RMFIHMGWZFSZBX-STQMWFEESA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047432115 678518437 /nfs/dbraw/zinc/51/84/37/678518437.db2.gz AEIHLNXQZHTMNH-STQMWFEESA-N 1 1 309.366 -1.115 20 0 DAADMO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001047425002 678518499 /nfs/dbraw/zinc/51/84/99/678518499.db2.gz CVFNJOXGTNRNRC-RYUDHWBXSA-N 1 1 324.381 -1.114 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)O1 ZINC001047428516 678518542 /nfs/dbraw/zinc/51/85/42/678518542.db2.gz KDRMPINOMDMGGG-NOOOWODRSA-N 1 1 314.386 -2.306 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)O1 ZINC001047428516 678518543 /nfs/dbraw/zinc/51/85/43/678518543.db2.gz KDRMPINOMDMGGG-NOOOWODRSA-N 1 1 314.386 -2.306 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047430473 678518610 /nfs/dbraw/zinc/51/86/10/678518610.db2.gz IPUUHUZNYDOEHP-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO CN(C(=O)c1cn2c(n1)COCC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047427942 678518653 /nfs/dbraw/zinc/51/86/53/678518653.db2.gz POIOBSXJTKIMKS-RYUDHWBXSA-N 1 1 310.354 -1.477 20 0 DAADMO CN(C(=O)c1cn2c(n1)COCC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047427942 678518658 /nfs/dbraw/zinc/51/86/58/678518658.db2.gz POIOBSXJTKIMKS-RYUDHWBXSA-N 1 1 310.354 -1.477 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047434269 678518951 /nfs/dbraw/zinc/51/89/51/678518951.db2.gz SFOKPUCNAYZUGX-QWRGUYRKSA-N 1 1 313.358 -2.532 20 0 DAADMO CN(C(=O)[C@H]1CCn2ccnc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047435288 678519013 /nfs/dbraw/zinc/51/90/13/678519013.db2.gz HKWBHOQJUXXQMM-AVGNSLFASA-N 1 1 308.382 -1.059 20 0 DAADMO CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047435287 678519076 /nfs/dbraw/zinc/51/90/76/678519076.db2.gz HKWBHOQJUXXQMM-AGIUHOORSA-N 1 1 308.382 -1.059 20 0 DAADMO CN(C(=O)[C@@H]1CCc2cncn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047436441 678519241 /nfs/dbraw/zinc/51/92/41/678519241.db2.gz ZTHSJNUDTIDXLN-XBFCOCLRSA-N 1 1 308.382 -1.059 20 0 DAADMO CN(C(=O)c1cc(C(N)=O)cn1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047443748 678520666 /nfs/dbraw/zinc/52/06/66/678520666.db2.gz LPRTXUMCEHQLRJ-STQMWFEESA-N 1 1 324.381 -1.377 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001047445648 678521010 /nfs/dbraw/zinc/52/10/10/678521010.db2.gz HUQPEEXFGZSPQT-QWRGUYRKSA-N 1 1 310.354 -1.139 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001047452740 678521554 /nfs/dbraw/zinc/52/15/54/678521554.db2.gz UIQOGRWSRLKKLY-MIMYLULJSA-N 1 1 320.353 -1.149 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459345 678521790 /nfs/dbraw/zinc/52/17/90/678521790.db2.gz QSKYTDDGEQIYRY-AVGNSLFASA-N 1 1 323.397 -1.170 20 0 DAADMO CN(C(=O)[C@H]1CCc2nncn2CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047462842 678521817 /nfs/dbraw/zinc/52/18/17/678521817.db2.gz NAELHSIGEXWTLN-AVGNSLFASA-N 1 1 323.397 -1.274 20 0 DAADMO CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047461016 678521883 /nfs/dbraw/zinc/52/18/83/678521883.db2.gz SFJNCXWMNWJWMU-RYUDHWBXSA-N 1 1 320.353 -1.527 20 0 DAADMO CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047461016 678521884 /nfs/dbraw/zinc/52/18/84/678521884.db2.gz SFJNCXWMNWJWMU-RYUDHWBXSA-N 1 1 320.353 -1.527 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458621 678522254 /nfs/dbraw/zinc/52/22/54/678522254.db2.gz WYLOFDDJEHATQT-AGIUHOORSA-N 1 1 323.397 -1.041 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001047453426 678522415 /nfs/dbraw/zinc/52/24/15/678522415.db2.gz XOXRZDKYNYDOPU-OSMZGAPFSA-N 1 1 309.366 -1.117 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)ccc2=O)C1 ZINC001047453426 678522417 /nfs/dbraw/zinc/52/24/17/678522417.db2.gz XOXRZDKYNYDOPU-OSMZGAPFSA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047468685 678522822 /nfs/dbraw/zinc/52/28/22/678522822.db2.gz PTKJWJQJMGCFFB-SRVKXCTJSA-N 1 1 323.353 -2.139 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(N)=O)c2)C1 ZINC001047470784 678522937 /nfs/dbraw/zinc/52/29/37/678522937.db2.gz DNJZHUKDEAHDIS-LSJOCFKGSA-N 1 1 311.338 -1.124 20 0 DAADMO CN(C(=O)c1coc(C(N)=O)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047469760 678522957 /nfs/dbraw/zinc/52/29/57/678522957.db2.gz BIQQSRMIGHPQEJ-QWRGUYRKSA-N 1 1 311.338 -1.122 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC001047479444 678523433 /nfs/dbraw/zinc/52/34/33/678523433.db2.gz MIUNAMUDCGUMNW-RYUDHWBXSA-N 1 1 324.381 -1.493 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047483011 678523781 /nfs/dbraw/zinc/52/37/81/678523781.db2.gz SQDPQGVGTYYIMM-USWWRNFRSA-N 1 1 312.370 -1.073 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483607 678523827 /nfs/dbraw/zinc/52/38/27/678523827.db2.gz AYUPFUSLHWSOLC-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047485834 678523962 /nfs/dbraw/zinc/52/39/62/678523962.db2.gz AXHPUWHFXMYXER-RNJOBUHISA-N 1 1 312.414 -1.152 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047484526 678524066 /nfs/dbraw/zinc/52/40/66/678524066.db2.gz YXQGOZNQULRMRZ-NDBYEHHHSA-N 1 1 312.414 -1.281 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3nnnc3c2)C1 ZINC001047482989 678524244 /nfs/dbraw/zinc/52/42/44/678524244.db2.gz RVVPBIJVBIXCMJ-USWWRNFRSA-N 1 1 320.353 -1.378 20 0 DAADMO CC[C@H](C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1)OC ZINC001047490392 678524604 /nfs/dbraw/zinc/52/46/04/678524604.db2.gz UDSBNMWEKZSIFK-VWYCJHECSA-N 1 1 312.374 -1.248 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047490067 678524924 /nfs/dbraw/zinc/52/49/24/678524924.db2.gz HQZIOUHISJLCJF-WOPDTQHZSA-N 1 1 324.385 -1.246 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047487162 678525001 /nfs/dbraw/zinc/52/50/01/678525001.db2.gz UCHQCROHXUPANE-SRVKXCTJSA-N 1 1 322.369 -2.082 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047487162 678525004 /nfs/dbraw/zinc/52/50/04/678525004.db2.gz UCHQCROHXUPANE-SRVKXCTJSA-N 1 1 322.369 -2.082 20 0 DAADMO C[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047493639 678525638 /nfs/dbraw/zinc/52/56/38/678525638.db2.gz ODKNWNKDMNAXEI-VOAKCMCISA-N 1 1 312.414 -1.152 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047505770 678526019 /nfs/dbraw/zinc/52/60/19/678526019.db2.gz VQRCNFQGXQUAET-USWWRNFRSA-N 1 1 310.354 -1.078 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001047510119 678527138 /nfs/dbraw/zinc/52/71/38/678527138.db2.gz CZSHKZRGCNARNE-RYUDHWBXSA-N 1 1 319.321 -1.288 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001047510119 678527140 /nfs/dbraw/zinc/52/71/40/678527140.db2.gz CZSHKZRGCNARNE-RYUDHWBXSA-N 1 1 319.321 -1.288 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001047510680 678527146 /nfs/dbraw/zinc/52/71/46/678527146.db2.gz AHBYDZOMYWWAPA-DCAQKATOSA-N 1 1 311.342 -2.767 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047510258 678527196 /nfs/dbraw/zinc/52/71/96/678527196.db2.gz KTSZUJXDLGAUIH-RYUDHWBXSA-N 1 1 309.370 -1.511 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)n1 ZINC001047510258 678527197 /nfs/dbraw/zinc/52/71/97/678527197.db2.gz KTSZUJXDLGAUIH-RYUDHWBXSA-N 1 1 309.370 -1.511 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001047510921 678527203 /nfs/dbraw/zinc/52/72/03/678527203.db2.gz ISAGQPHMIKOZDZ-GUBZILKMSA-N 1 1 308.342 -2.246 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001047510921 678527206 /nfs/dbraw/zinc/52/72/06/678527206.db2.gz ISAGQPHMIKOZDZ-GUBZILKMSA-N 1 1 308.342 -2.246 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001047510922 678527236 /nfs/dbraw/zinc/52/72/36/678527236.db2.gz ISAGQPHMIKOZDZ-UTLUCORTSA-N 1 1 308.342 -2.246 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001047510922 678527239 /nfs/dbraw/zinc/52/72/39/678527239.db2.gz ISAGQPHMIKOZDZ-UTLUCORTSA-N 1 1 308.342 -2.246 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001047510354 678527351 /nfs/dbraw/zinc/52/73/51/678527351.db2.gz MMRLZWQHHJUQOM-RDBSUJKOSA-N 1 1 321.377 -1.421 20 0 DAADMO CN(C(=O)[C@@H]1CCCCC(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047525095 678527705 /nfs/dbraw/zinc/52/77/05/678527705.db2.gz NCNDTFLAAVKNEU-AVGNSLFASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001047520609 678528031 /nfs/dbraw/zinc/52/80/31/678528031.db2.gz YYIIODJWYDJNOE-IUCAKERBSA-N 1 1 317.371 -1.806 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001047529386 678528256 /nfs/dbraw/zinc/52/82/56/678528256.db2.gz AVIBPHYDPFFKRQ-ZHAHWJHGSA-N 1 1 310.354 -1.389 20 0 DAADMO CN(C(=O)c1nccn2ccnc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047533783 678528455 /nfs/dbraw/zinc/52/84/55/678528455.db2.gz KNOJWSRGKWTCAF-QWRGUYRKSA-N 1 1 305.338 -1.161 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001047550216 678529863 /nfs/dbraw/zinc/52/98/63/678529863.db2.gz UPZCKDRPGKUXTQ-RYUDHWBXSA-N 1 1 320.353 -1.586 20 0 DAADMO CN(C(=O)c1cnc2cccnn12)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047556170 678529957 /nfs/dbraw/zinc/52/99/57/678529957.db2.gz PIXYFGCJXDTINN-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cnc2cccnn12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047556170 678529958 /nfs/dbraw/zinc/52/99/58/678529958.db2.gz PIXYFGCJXDTINN-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047563428 678530437 /nfs/dbraw/zinc/53/04/37/678530437.db2.gz JBWPYXBNVRBZKV-QWRGUYRKSA-N 1 1 315.345 -1.098 20 0 DAADMO CN(C(=O)C(C)(C)N1CCOCC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047566924 678530924 /nfs/dbraw/zinc/53/09/24/678530924.db2.gz UYOSZLBBCVVTFD-STQMWFEESA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)s1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047564186 678531097 /nfs/dbraw/zinc/53/10/97/678531097.db2.gz MMMREBZFYFPPNH-IUCAKERBSA-N 1 1 313.379 -1.044 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)s1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047564186 678531100 /nfs/dbraw/zinc/53/11/00/678531100.db2.gz MMMREBZFYFPPNH-IUCAKERBSA-N 1 1 313.379 -1.044 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047570038 678531674 /nfs/dbraw/zinc/53/16/74/678531674.db2.gz ILZALCLKIPBGQT-UWVGGRQHSA-N 1 1 323.357 -2.053 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047570038 678531675 /nfs/dbraw/zinc/53/16/75/678531675.db2.gz ILZALCLKIPBGQT-UWVGGRQHSA-N 1 1 323.357 -2.053 20 0 DAADMO CN(C(=O)c1ncccn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047574144 678532462 /nfs/dbraw/zinc/53/24/62/678532462.db2.gz DLKFWLMPMSKDKW-RYUDHWBXSA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1ncccn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047574144 678532466 /nfs/dbraw/zinc/53/24/66/678532466.db2.gz DLKFWLMPMSKDKW-RYUDHWBXSA-N 1 1 317.353 -1.115 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047573696 678532571 /nfs/dbraw/zinc/53/25/71/678532571.db2.gz NLZZJGJOYWSWQZ-QWRGUYRKSA-N 1 1 324.341 -1.788 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047573696 678532574 /nfs/dbraw/zinc/53/25/74/678532574.db2.gz NLZZJGJOYWSWQZ-QWRGUYRKSA-N 1 1 324.341 -1.788 20 0 DAADMO Cc1cc(C)n(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)n1 ZINC001047576295 678532649 /nfs/dbraw/zinc/53/26/49/678532649.db2.gz DSTOKOJOIUTKIW-STQMWFEESA-N 1 1 324.381 -1.644 20 0 DAADMO COc1ncc(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001047585599 678533039 /nfs/dbraw/zinc/53/30/39/678533039.db2.gz CCORXPWDFHXGSL-RYUDHWBXSA-N 1 1 310.354 -1.015 20 0 DAADMO COc1ccc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)nn1 ZINC001047587490 678533467 /nfs/dbraw/zinc/53/34/67/678533467.db2.gz FWHVRRZPFJRICW-USWWRNFRSA-N 1 1 310.354 -1.017 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001047588917 678533597 /nfs/dbraw/zinc/53/35/97/678533597.db2.gz VYJPKXBRVMPYJS-RYUDHWBXSA-N 1 1 323.397 -1.096 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047592657 678534000 /nfs/dbraw/zinc/53/40/00/678534000.db2.gz AZMBVWVDHBFZSI-SRVKXCTJSA-N 1 1 309.370 -1.113 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047592657 678534004 /nfs/dbraw/zinc/53/40/04/678534004.db2.gz AZMBVWVDHBFZSI-SRVKXCTJSA-N 1 1 309.370 -1.113 20 0 DAADMO CN(C(=O)Cc1ncn[nH]1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047592657 678534008 /nfs/dbraw/zinc/53/40/08/678534008.db2.gz AZMBVWVDHBFZSI-SRVKXCTJSA-N 1 1 309.370 -1.113 20 0 DAADMO CN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047593854 678534144 /nfs/dbraw/zinc/53/41/44/678534144.db2.gz YYJPINQJWWMIHB-XDTLVQLUSA-N 1 1 309.370 -1.595 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598004 678534744 /nfs/dbraw/zinc/53/47/44/678534744.db2.gz QETNAYROJYLZTK-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598004 678534746 /nfs/dbraw/zinc/53/47/46/678534746.db2.gz QETNAYROJYLZTK-AVGNSLFASA-N 1 1 323.397 -1.270 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001047605937 678535245 /nfs/dbraw/zinc/53/52/45/678535245.db2.gz RAWVMYSSKLWZRA-AVGNSLFASA-N 1 1 324.381 -1.564 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)nn1 ZINC001047599301 678535571 /nfs/dbraw/zinc/53/55/71/678535571.db2.gz PXSZYEZOZQXUEI-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO CN(C)c1ccc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001047599301 678535573 /nfs/dbraw/zinc/53/55/73/678535573.db2.gz PXSZYEZOZQXUEI-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO COc1c(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cnn1C ZINC001047610134 678536255 /nfs/dbraw/zinc/53/62/55/678536255.db2.gz PRZCCBCUZFUQSS-DLOVCJGASA-N 1 1 312.370 -1.073 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047612964 678536324 /nfs/dbraw/zinc/53/63/24/678536324.db2.gz UVQBYGDQJHPBCO-RDBSUJKOSA-N 1 1 313.398 -1.259 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619173 678536762 /nfs/dbraw/zinc/53/67/62/678536762.db2.gz FMYDKDXWBGIGEU-QWRGUYRKSA-N 1 1 312.370 -1.302 20 0 DAADMO CN(C(=O)c1nccnc1C(N)=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047619200 678536857 /nfs/dbraw/zinc/53/68/57/678536857.db2.gz GAPDFPYHTRSAPG-UWVGGRQHSA-N 1 1 323.353 -1.925 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001047618910 678536894 /nfs/dbraw/zinc/53/68/94/678536894.db2.gz VRGLRXPCPUZFMB-UWVGGRQHSA-N 1 1 312.370 -1.160 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nccnc2C(N)=O)C1 ZINC001047619442 678536955 /nfs/dbraw/zinc/53/69/55/678536955.db2.gz OGTAFCJKGQNPOO-GUBZILKMSA-N 1 1 323.353 -1.927 20 0 DAADMO Cc1ccnc2nc(C(=O)N(C)[C@H]3C[N@H+](CCO)C[C@@H]3O)nn21 ZINC001047618874 678536969 /nfs/dbraw/zinc/53/69/69/678536969.db2.gz SSZHPMCJVBVDOC-QWRGUYRKSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1ccnc2nc(C(=O)N(C)[C@H]3C[N@@H+](CCO)C[C@@H]3O)nn21 ZINC001047618874 678536971 /nfs/dbraw/zinc/53/69/71/678536971.db2.gz SSZHPMCJVBVDOC-QWRGUYRKSA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001047624126 678537559 /nfs/dbraw/zinc/53/75/59/678537559.db2.gz BOMJSRLKBKNFDE-USWWRNFRSA-N 1 1 309.370 -1.431 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047622132 678537601 /nfs/dbraw/zinc/53/76/01/678537601.db2.gz BFBKPVVKNVHEQI-QWRGUYRKSA-N 1 1 313.354 -1.979 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 ZINC001047623703 678537614 /nfs/dbraw/zinc/53/76/14/678537614.db2.gz ZFMIEBGHQJKXFJ-AGIUHOORSA-N 1 1 309.366 -1.267 20 0 DAADMO CN(C(=O)CN1C(=O)CCC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047622256 678537948 /nfs/dbraw/zinc/53/79/48/678537948.db2.gz DWNYJFCKPWWBIR-QWRGUYRKSA-N 1 1 315.345 -1.002 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001047632052 678538250 /nfs/dbraw/zinc/53/82/50/678538250.db2.gz XGPRVPWRPHIJRF-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047633710 678538332 /nfs/dbraw/zinc/53/83/32/678538332.db2.gz ILSRLEJYZVPAIZ-SRVKXCTJSA-N 1 1 314.386 -2.304 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047633710 678538340 /nfs/dbraw/zinc/53/83/40/678538340.db2.gz ILSRLEJYZVPAIZ-SRVKXCTJSA-N 1 1 314.386 -2.304 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047631097 678538433 /nfs/dbraw/zinc/53/84/33/678538433.db2.gz IHPOTEFFLAYDFA-DCAQKATOSA-N 1 1 321.399 -2.436 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047632969 678538664 /nfs/dbraw/zinc/53/86/64/678538664.db2.gz DVYYXIZUMIZPGQ-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nncn2C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047639118 678539358 /nfs/dbraw/zinc/53/93/58/678539358.db2.gz LVMFUMWCYFYZTC-WOPDTQHZSA-N 1 1 309.370 -1.664 20 0 DAADMO CN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047645208 678539381 /nfs/dbraw/zinc/53/93/81/678539381.db2.gz GNCCYRFMSVYRRB-STQMWFEESA-N 1 1 322.365 -1.320 20 0 DAADMO CN(C(=O)c1cccnc1C(N)=O)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047636937 678539480 /nfs/dbraw/zinc/53/94/80/678539480.db2.gz ROUGSOKYJXFFBD-QWRGUYRKSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)c1cccnc1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047636937 678539482 /nfs/dbraw/zinc/53/94/82/678539482.db2.gz ROUGSOKYJXFFBD-QWRGUYRKSA-N 1 1 308.338 -1.710 20 0 DAADMO CN(C(=O)[C@H]1CCc2nncn2C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047639027 678539623 /nfs/dbraw/zinc/53/96/23/678539623.db2.gz KPDUYMQUDAIQMK-AVGNSLFASA-N 1 1 323.397 -1.274 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001047642117 678539661 /nfs/dbraw/zinc/53/96/61/678539661.db2.gz OJXSSUZEHJHHBE-SCVCMEIPSA-N 1 1 312.370 -1.778 20 0 DAADMO CN(C(=O)c1cccnc1C(N)=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047636573 678539698 /nfs/dbraw/zinc/53/96/98/678539698.db2.gz QNFGHEUPCDAJQM-RYUDHWBXSA-N 1 1 322.365 -1.320 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001047645389 678540311 /nfs/dbraw/zinc/54/03/11/678540311.db2.gz OXFVKGFNIGHVRU-ICCXJUOJSA-N 1 1 322.365 -1.322 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001047704698 678540722 /nfs/dbraw/zinc/54/07/22/678540722.db2.gz MOICNYBIVNDOTH-NXEZZACHSA-N 1 1 320.361 -1.777 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047838426 678541177 /nfs/dbraw/zinc/54/11/77/678541177.db2.gz VQZNOVDIHUIUSU-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001047825568 678541343 /nfs/dbraw/zinc/54/13/43/678541343.db2.gz LPXAQCLHBZWEEV-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830639 678541360 /nfs/dbraw/zinc/54/13/60/678541360.db2.gz GEFVTJPXZNESEH-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001047897621 678541901 /nfs/dbraw/zinc/54/19/01/678541901.db2.gz IRFTUPKLYHDCQG-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001047952459 678542461 /nfs/dbraw/zinc/54/24/61/678542461.db2.gz ZBSFZDIYKVDSQU-NXEZZACHSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055917 678544961 /nfs/dbraw/zinc/54/49/61/678544961.db2.gz LOECBSQCQFQYQS-MNOVXSKESA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001048055915 678545097 /nfs/dbraw/zinc/54/50/97/678545097.db2.gz LOECBSQCQFQYQS-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048130547 678546062 /nfs/dbraw/zinc/54/60/62/678546062.db2.gz VFVNHTBMWRZHEP-VHSXEESVSA-N 1 1 320.361 -1.919 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048242634 678547825 /nfs/dbraw/zinc/54/78/25/678547825.db2.gz PAHLSSWIQMQORL-UWVGGRQHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048239271 678548097 /nfs/dbraw/zinc/54/80/97/678548097.db2.gz PKTOXNGVZRHIPX-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048300953 678548795 /nfs/dbraw/zinc/54/87/95/678548795.db2.gz KVZVVMTUYFODEW-IUCAKERBSA-N 1 1 305.346 -1.174 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048277385 678548869 /nfs/dbraw/zinc/54/88/69/678548869.db2.gz YCOSWHHCOFHLET-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048365652 678549624 /nfs/dbraw/zinc/54/96/24/678549624.db2.gz KBSAJKLODORESM-VHSXEESVSA-N 1 1 321.385 -1.340 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048345596 678549820 /nfs/dbraw/zinc/54/98/20/678549820.db2.gz VKCOZHRUGYFOIT-RKDXNWHRSA-N 1 1 320.361 -1.769 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048460521 678551667 /nfs/dbraw/zinc/55/16/67/678551667.db2.gz MNVMVZJSZWYUMU-MNOVXSKESA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 ZINC001048558162 678552427 /nfs/dbraw/zinc/55/24/27/678552427.db2.gz JIAVQBSTYWHZRX-RMPHRYRLSA-N 1 1 323.397 -1.099 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001048563990 678552537 /nfs/dbraw/zinc/55/25/37/678552537.db2.gz QTVNNVADEASYOV-ROHXPCBUSA-N 1 1 308.382 -1.048 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C2 ZINC001048558151 678552668 /nfs/dbraw/zinc/55/26/68/678552668.db2.gz JIAVQBSTYWHZRX-HHHUOAJASA-N 1 1 323.397 -1.099 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCNC1=O)C2 ZINC001048553718 678552728 /nfs/dbraw/zinc/55/27/28/678552728.db2.gz UFYKJTZJSQFALU-WRWGMCAJSA-N 1 1 308.382 -1.033 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001048592855 678553353 /nfs/dbraw/zinc/55/33/53/678553353.db2.gz LGLPRQISOXRZOL-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)o1 ZINC001048670210 678555467 /nfs/dbraw/zinc/55/54/67/678555467.db2.gz GLENKDOLVIJQGV-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)o1 ZINC001048670210 678555470 /nfs/dbraw/zinc/55/54/70/678555470.db2.gz GLENKDOLVIJQGV-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048681860 678555820 /nfs/dbraw/zinc/55/58/20/678555820.db2.gz MSOOJFKGVBTZTR-XQQFMLRXSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C([C@H]1COCCO1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048691045 678555940 /nfs/dbraw/zinc/55/59/40/678555940.db2.gz WCMYBGTVEVDXPB-YVECIDJPSA-N 1 1 309.366 -1.320 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)C1=O ZINC001048671560 678556005 /nfs/dbraw/zinc/55/60/05/678556005.db2.gz CGPHGQQGIOGTMZ-GRYCIOLGSA-N 1 1 319.369 -1.706 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672345 678556139 /nfs/dbraw/zinc/55/61/39/678556139.db2.gz ZFRNPQJFZXEWTN-AXFHLTTASA-N 1 1 307.358 -1.673 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C(=O)OC)C[C@H]2C1 ZINC001048713374 678556623 /nfs/dbraw/zinc/55/66/23/678556623.db2.gz UAYGZCHBXJSDJO-USZNOCQGSA-N 1 1 309.366 -1.068 20 0 DAADMO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048707776 678556637 /nfs/dbraw/zinc/55/66/37/678556637.db2.gz UTMKTTGOCDIKBE-AXFHLTTASA-N 1 1 315.395 -1.690 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048723568 678557358 /nfs/dbraw/zinc/55/73/58/678557358.db2.gz IVZSMURCFRFEEM-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001048733807 678557929 /nfs/dbraw/zinc/55/79/29/678557929.db2.gz KDBUPCUZSKVDJD-TXEJJXNPSA-N 1 1 324.381 -1.889 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC001048733080 678558216 /nfs/dbraw/zinc/55/82/16/678558216.db2.gz YKQGIDVPRLFUFD-MXWKQRLJSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048734496 678558422 /nfs/dbraw/zinc/55/84/22/678558422.db2.gz SBTDCILHIULPAH-AOOOYVTPSA-N 1 1 323.353 -2.196 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739631 678558718 /nfs/dbraw/zinc/55/87/18/678558718.db2.gz MNBMJAIZMHKRJW-YIYPIFLZSA-N 1 1 324.425 -1.158 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740309 678558765 /nfs/dbraw/zinc/55/87/65/678558765.db2.gz YSNQEEIGJZNOCE-FVCCEPFGSA-N 1 1 310.398 -1.419 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738780 678559064 /nfs/dbraw/zinc/55/90/64/678559064.db2.gz CRJMPAMYWVFHJL-CRWXNKLISA-N 1 1 322.409 -1.404 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738782 678559094 /nfs/dbraw/zinc/55/90/94/678559094.db2.gz CRJMPAMYWVFHJL-RQJABVFESA-N 1 1 322.409 -1.404 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001048738781 678559155 /nfs/dbraw/zinc/55/91/55/678559155.db2.gz CRJMPAMYWVFHJL-RFQIPJPRSA-N 1 1 322.409 -1.404 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048761239 678559337 /nfs/dbraw/zinc/55/93/37/678559337.db2.gz HJWRITWUXRSBML-UTUOFQBUSA-N 1 1 308.382 -1.351 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3C)C[C@H]2C1 ZINC001048776255 678559753 /nfs/dbraw/zinc/55/97/53/678559753.db2.gz RMOBRIWCZOBSOL-XJFOESAGSA-N 1 1 324.425 -1.029 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048777096 678559797 /nfs/dbraw/zinc/55/97/97/678559797.db2.gz LIVZPFKAORPUGG-XJFOESAGSA-N 1 1 322.409 -1.404 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@H]3C2)C1=O ZINC001048792812 678559972 /nfs/dbraw/zinc/55/99/72/678559972.db2.gz CLEQERJDHQQXES-WHOHXGKFSA-N 1 1 322.365 -1.284 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001048788036 678560087 /nfs/dbraw/zinc/56/00/87/678560087.db2.gz XRCSDQGIOIULDC-ZMLRMANQSA-N 1 1 308.382 -1.271 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778789 678560099 /nfs/dbraw/zinc/56/00/99/678560099.db2.gz FWQRTSUZYKGIOZ-OUAUKWLOSA-N 1 1 322.369 -1.362 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)c1N ZINC001048781123 678560112 /nfs/dbraw/zinc/56/01/12/678560112.db2.gz WPIBICYCTJWYAP-JFGNBEQYSA-N 1 1 318.381 -1.105 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C1 ZINC001048779808 678560159 /nfs/dbraw/zinc/56/01/59/678560159.db2.gz RVWAROHXJMOSIA-AOOOYVTPSA-N 1 1 306.370 -1.248 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@H]2C1 ZINC001048790777 678560285 /nfs/dbraw/zinc/56/02/85/678560285.db2.gz IBTTZSQIVGJMBM-BBBLOLIVSA-N 1 1 308.338 -1.144 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)C1=O ZINC001048792810 678560539 /nfs/dbraw/zinc/56/05/39/678560539.db2.gz CLEQERJDHQQXES-KXNHARMFSA-N 1 1 322.365 -1.284 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@H]2C1 ZINC001048787908 678560629 /nfs/dbraw/zinc/56/06/29/678560629.db2.gz QQYJCDJEHHXRFT-WCFLWFBJSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)nn3)C[C@H]2C1 ZINC001048801370 678560759 /nfs/dbraw/zinc/56/07/59/678560759.db2.gz QMRSTZKMGYVIJY-MXWKQRLJSA-N 1 1 306.370 -1.047 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048794231 678560941 /nfs/dbraw/zinc/56/09/41/678560941.db2.gz SAVIDDMPPGWIKE-UKKRHICBSA-N 1 1 310.354 -1.381 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1)N1CCC1 ZINC001048796476 678561090 /nfs/dbraw/zinc/56/10/90/678561090.db2.gz RTZMIGZLCBUWQJ-TUAOUCFPSA-N 1 1 322.365 -1.283 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)n1 ZINC001048802553 678561172 /nfs/dbraw/zinc/56/11/72/678561172.db2.gz ILADVYAWLXYDIT-OUAUKWLOSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)nn1 ZINC001048801783 678561261 /nfs/dbraw/zinc/56/12/61/678561261.db2.gz ZAEYDFCBDHYBSC-JFGNBEQYSA-N 1 1 304.354 -1.293 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)nn1 ZINC001048796178 678561287 /nfs/dbraw/zinc/56/12/87/678561287.db2.gz GFINRBINDPKXOJ-JFGNBEQYSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@H]3C2)nn1 ZINC001048796178 678561290 /nfs/dbraw/zinc/56/12/90/678561290.db2.gz GFINRBINDPKXOJ-JFGNBEQYSA-N 1 1 320.353 -1.186 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048796046 678561297 /nfs/dbraw/zinc/56/12/97/678561297.db2.gz BCSIEVARXWIBIU-USZNOCQGSA-N 1 1 322.365 -1.236 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)[nH]1 ZINC001048814210 678561620 /nfs/dbraw/zinc/56/16/20/678561620.db2.gz ZWKZXNCFNHECLV-IEBDPFPHSA-N 1 1 306.370 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1 ZINC001048804971 678561868 /nfs/dbraw/zinc/56/18/68/678561868.db2.gz WOKOGZSUDQMCFZ-MXWKQRLJSA-N 1 1 306.370 -1.047 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822574 678562211 /nfs/dbraw/zinc/56/22/11/678562211.db2.gz MRIQLLCVTAWMAU-SDDRHHMPSA-N 1 1 321.385 -1.460 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833456 678562447 /nfs/dbraw/zinc/56/24/47/678562447.db2.gz ODGDADKOJXRSCC-XJFOESAGSA-N 1 1 322.409 -1.275 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@H]2C1 ZINC001048833456 678562449 /nfs/dbraw/zinc/56/24/49/678562449.db2.gz ODGDADKOJXRSCC-XJFOESAGSA-N 1 1 322.409 -1.275 20 0 DAADMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048822179 678562596 /nfs/dbraw/zinc/56/25/96/678562596.db2.gz TXFSFIPVOWIFGK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]3C2)n1 ZINC001048822179 678562599 /nfs/dbraw/zinc/56/25/99/678562599.db2.gz TXFSFIPVOWIFGK-PHIMTYICSA-N 1 1 318.341 -1.045 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822642 678562631 /nfs/dbraw/zinc/56/26/31/678562631.db2.gz OBWMMBXUTUQXRO-OUAUKWLOSA-N 1 1 307.358 -1.673 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001048822249 678562687 /nfs/dbraw/zinc/56/26/87/678562687.db2.gz XTHXIMMBMSUOCA-BETUJISGSA-N 1 1 316.369 -1.040 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1=O ZINC001048848799 678562936 /nfs/dbraw/zinc/56/29/36/678562936.db2.gz UXMJXSJJUPBAAJ-NDBYEHHHSA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N1C(=O)CCC1=O ZINC001048848664 678563108 /nfs/dbraw/zinc/56/31/08/678563108.db2.gz RWEGTJPJXPSLGD-UTUOFQBUSA-N 1 1 309.366 -1.094 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048842743 678563133 /nfs/dbraw/zinc/56/31/33/678563133.db2.gz HMYOWZUGLZQFEH-XQQFMLRXSA-N 1 1 318.381 -1.053 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048843037 678563224 /nfs/dbraw/zinc/56/32/24/678563224.db2.gz PWBSHWGATDWHIG-TUAOUCFPSA-N 1 1 304.354 -1.443 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]2C1 ZINC001048849621 678563347 /nfs/dbraw/zinc/56/33/47/678563347.db2.gz OEJHSADVSDJKML-DTORHVGOSA-N 1 1 315.337 -1.158 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848073 678563379 /nfs/dbraw/zinc/56/33/79/678563379.db2.gz LDVCEXNXMJAJHC-ZDEQEGDKSA-N 1 1 322.409 -1.011 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1)N1CCC1 ZINC001048841488 678563392 /nfs/dbraw/zinc/56/33/92/678563392.db2.gz DUZBWYKJCVJGKD-BETUJISGSA-N 1 1 318.381 -1.099 20 0 DAADMO CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)CC1=O ZINC001048849931 678563525 /nfs/dbraw/zinc/56/35/25/678563525.db2.gz WFDTYEPKJABKEV-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1=O ZINC001048851022 678564083 /nfs/dbraw/zinc/56/40/83/678564083.db2.gz VLRIPCFREWKFBK-UTUOFQBUSA-N 1 1 308.382 -1.270 20 0 DAADMO CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1=O ZINC001048851007 678564114 /nfs/dbraw/zinc/56/41/14/678564114.db2.gz VLRIPCFREWKFBK-SDDRHHMPSA-N 1 1 308.382 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878999 678564531 /nfs/dbraw/zinc/56/45/31/678564531.db2.gz UTUUUZSBZJRJAM-GRYCIOLGSA-N 1 1 308.382 -1.351 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048875810 678564583 /nfs/dbraw/zinc/56/45/83/678564583.db2.gz OQRJXPYEBWWKIG-OUAUKWLOSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C1 ZINC001048879675 678564664 /nfs/dbraw/zinc/56/46/64/678564664.db2.gz ULVGGSAJBGOWDS-GRYCIOLGSA-N 1 1 308.382 -1.209 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048875809 678564711 /nfs/dbraw/zinc/56/47/11/678564711.db2.gz OQRJXPYEBWWKIG-AXFHLTTASA-N 1 1 308.382 -1.223 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048878386 678564742 /nfs/dbraw/zinc/56/47/42/678564742.db2.gz JNWJFHRHCWHFPN-YVECIDJPSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCNC(=O)C1 ZINC001048887825 678564803 /nfs/dbraw/zinc/56/48/03/678564803.db2.gz GJIXOPHUEJZDJG-JRPNMDOOSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048913261 678565357 /nfs/dbraw/zinc/56/53/57/678565357.db2.gz YQIRHFGOIWWAPV-UTUOFQBUSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048908307 678565465 /nfs/dbraw/zinc/56/54/65/678565465.db2.gz QGJFXOLUTJRUHV-MCIONIFRSA-N 1 1 324.425 -1.469 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048910817 678565673 /nfs/dbraw/zinc/56/56/73/678565673.db2.gz KCCYZQATSUDWTP-FRRDWIJNSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)C[C@H]2C1 ZINC001048898599 678565679 /nfs/dbraw/zinc/56/56/79/678565679.db2.gz WPRKTLCVGZAVFD-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048911038 678565722 /nfs/dbraw/zinc/56/57/22/678565722.db2.gz SBZDAFUUUGSECL-MQYQWHSLSA-N 1 1 324.425 -1.029 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC1=O ZINC001048908917 678565896 /nfs/dbraw/zinc/56/58/96/678565896.db2.gz XFRRRVCFKRSPGS-TXEJJXNPSA-N 1 1 323.397 -2.364 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912996 678565917 /nfs/dbraw/zinc/56/59/17/678565917.db2.gz TYERGJJWTZRKEL-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]2C1 ZINC001048923548 678566271 /nfs/dbraw/zinc/56/62/71/678566271.db2.gz WRQCOYVKRCQQEJ-TXEJJXNPSA-N 1 1 322.365 -1.015 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048913476 678566321 /nfs/dbraw/zinc/56/63/21/678566321.db2.gz FCNAUFVYXRWVBJ-WCABBAIRSA-N 1 1 318.337 -1.386 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCCC(=O)N3)C[C@H]2C1 ZINC001048929461 678566465 /nfs/dbraw/zinc/56/64/65/678566465.db2.gz VPOINRYNDLCRDQ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@H]2C1 ZINC001048932867 678566503 /nfs/dbraw/zinc/56/65/03/678566503.db2.gz GPSJXEDITAIDSI-PHIMTYICSA-N 1 1 315.337 -1.387 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCCNC3=O)C[C@H]2C1 ZINC001048917599 678566512 /nfs/dbraw/zinc/56/65/12/678566512.db2.gz MMFMMTIINHPGNM-TXEJJXNPSA-N 1 1 323.397 -1.462 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048913475 678566552 /nfs/dbraw/zinc/56/65/52/678566552.db2.gz FCNAUFVYXRWVBJ-NGZCFLSTSA-N 1 1 318.337 -1.386 20 0 DAADMO COc1cnc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nc1 ZINC001048929739 678566703 /nfs/dbraw/zinc/56/67/03/678566703.db2.gz MBKMGWHXEKSANQ-AOOOYVTPSA-N 1 1 305.338 -1.026 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3coc(C(N)=O)c3)C[C@H]2C1 ZINC001048960381 678566966 /nfs/dbraw/zinc/56/69/66/678566966.db2.gz ZBZHCMBBRVJZTB-AOOOYVTPSA-N 1 1 306.322 -1.132 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CNC(=O)C1 ZINC001048955603 678567138 /nfs/dbraw/zinc/56/71/38/678567138.db2.gz JNIBVVHTAUDFLA-MEQWQQMJSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CNC(=O)C1 ZINC001048955600 678567177 /nfs/dbraw/zinc/56/71/77/678567177.db2.gz JNIBVVHTAUDFLA-AZKPJATDSA-N 1 1 320.393 -1.209 20 0 DAADMO CO[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)c1cnn(C)c1 ZINC001048962809 678567367 /nfs/dbraw/zinc/56/73/67/678567367.db2.gz SCAFOLORPAXKGM-SCRDCRAPSA-N 1 1 321.381 -1.017 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048973972 678567693 /nfs/dbraw/zinc/56/76/93/678567693.db2.gz HUQMGPZCMJUGOY-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2C1 ZINC001048973997 678567815 /nfs/dbraw/zinc/56/78/15/678567815.db2.gz IWLSCRMFFUNQGE-PHIMTYICSA-N 1 1 315.337 -1.387 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)C[C@@H]3C2)NC1=O ZINC001048979349 678568502 /nfs/dbraw/zinc/56/85/02/678568502.db2.gz UGYONIOXBLECCI-JFGNBEQYSA-N 1 1 320.353 -1.017 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)C[C@@H]3C2)NC1=O ZINC001048979349 678568505 /nfs/dbraw/zinc/56/85/05/678568505.db2.gz UGYONIOXBLECCI-JFGNBEQYSA-N 1 1 320.353 -1.017 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048978579 678568590 /nfs/dbraw/zinc/56/85/90/678568590.db2.gz BSEQMFWWDJFNNQ-XQQFMLRXSA-N 1 1 318.381 -1.196 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1)N1CCC1 ZINC001048977965 678568608 /nfs/dbraw/zinc/56/86/08/678568608.db2.gz SCTHNSHDPLRLTN-FRRDWIJNSA-N 1 1 320.393 -1.255 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978488 678568615 /nfs/dbraw/zinc/56/86/15/678568615.db2.gz FYOAQYPXFXTGDU-WHOHXGKFSA-N 1 1 323.397 -1.336 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)NC1=O ZINC001048979575 678568699 /nfs/dbraw/zinc/56/86/99/678568699.db2.gz XBCIKTFYJBRBMG-USZNOCQGSA-N 1 1 321.381 -1.711 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C1 ZINC001048977759 678568735 /nfs/dbraw/zinc/56/87/35/678568735.db2.gz LETNUJRIUQRDHL-MELADBBJSA-N 1 1 324.425 -1.157 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1)NC1CC1 ZINC001048977882 678568747 /nfs/dbraw/zinc/56/87/47/678568747.db2.gz OPSIYNBBCIZNID-LOWVWBTDSA-N 1 1 320.393 -1.209 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)NC1=O ZINC001048979576 678568800 /nfs/dbraw/zinc/56/88/00/678568800.db2.gz XBCIKTFYJBRBMG-WHOHXGKFSA-N 1 1 321.381 -1.711 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048979751 678568875 /nfs/dbraw/zinc/56/88/75/678568875.db2.gz IZFGQKKZMGFRNY-USZNOCQGSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1)NC1CC1 ZINC001048977883 678568894 /nfs/dbraw/zinc/56/88/94/678568894.db2.gz OPSIYNBBCIZNID-NTZNESFSSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048977723 678568911 /nfs/dbraw/zinc/56/89/11/678568911.db2.gz JUYALOXMDXJUNR-RNJOBUHISA-N 1 1 320.393 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)C[C@H]2C1 ZINC001048980112 678568944 /nfs/dbraw/zinc/56/89/44/678568944.db2.gz MQFWVMJTFKCFDX-QNWHQSFQSA-N 1 1 322.409 -1.024 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001048989040 678569448 /nfs/dbraw/zinc/56/94/48/678569448.db2.gz AMBOCPLWUHCYCB-WYUUTHIRSA-N 1 1 308.382 -1.129 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001048991033 678569534 /nfs/dbraw/zinc/56/95/34/678569534.db2.gz HJGRADKPTWTXAB-AEJSXWLSSA-N 1 1 307.358 -1.522 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C1 ZINC001048989041 678569690 /nfs/dbraw/zinc/56/96/90/678569690.db2.gz AMBOCPLWUHCYCB-YFKTTZPYSA-N 1 1 308.382 -1.129 20 0 DAADMO CC(C)N1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049007630 678570508 /nfs/dbraw/zinc/57/05/08/678570508.db2.gz LBMZGADCTUKEQL-MJBXVCDLSA-N 1 1 324.425 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049014690 678570556 /nfs/dbraw/zinc/57/05/56/678570556.db2.gz MAUXHXXNCABCBS-GARJFASQSA-N 1 1 319.365 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C1 ZINC001049014691 678570651 /nfs/dbraw/zinc/57/06/51/678570651.db2.gz MAUXHXXNCABCBS-MXWKQRLJSA-N 1 1 319.365 -1.092 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049018553 678570820 /nfs/dbraw/zinc/57/08/20/678570820.db2.gz GJAFSOZAFSGYLZ-VLEAKVRGSA-N 1 1 307.354 -2.054 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049018283 678570842 /nfs/dbraw/zinc/57/08/42/678570842.db2.gz CGHKNCGCWBDEKH-XQQFMLRXSA-N 1 1 318.381 -1.045 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020060 678571079 /nfs/dbraw/zinc/57/10/79/678571079.db2.gz WXNKWNCHMSADJG-NTZNESFSSA-N 1 1 318.381 -1.008 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001049019782 678571100 /nfs/dbraw/zinc/57/11/00/678571100.db2.gz WGQCILWTQUYKMM-JFGNBEQYSA-N 1 1 321.381 -1.663 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020128 678571157 /nfs/dbraw/zinc/57/11/57/678571157.db2.gz YFHBJNRYTZXUPW-LOWVWBTDSA-N 1 1 318.381 -1.008 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022398 678571192 /nfs/dbraw/zinc/57/11/92/678571192.db2.gz LUEYNTDARFYLTG-OUAUKWLOSA-N 1 1 308.382 -1.094 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)C[C@@H]3C2)CC1 ZINC001049021698 678571230 /nfs/dbraw/zinc/57/12/30/678571230.db2.gz BPNUVUNEDRWQLF-TXEJJXNPSA-N 1 1 320.393 -1.126 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049022217 678571266 /nfs/dbraw/zinc/57/12/66/678571266.db2.gz JSZXEFYQLZSATM-OUAUKWLOSA-N 1 1 306.366 -1.469 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@H]2C1 ZINC001049021261 678571291 /nfs/dbraw/zinc/57/12/91/678571291.db2.gz RTBYBRZCGRLTPG-PHIMTYICSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021852 678571337 /nfs/dbraw/zinc/57/13/37/678571337.db2.gz FQXOKMODGVSFHK-LPEHRKFASA-N 1 1 319.369 -1.056 20 0 DAADMO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021852 678571343 /nfs/dbraw/zinc/57/13/43/678571343.db2.gz FQXOKMODGVSFHK-LPEHRKFASA-N 1 1 319.369 -1.056 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)C1=O ZINC001049022865 678571409 /nfs/dbraw/zinc/57/14/09/678571409.db2.gz WDVBPRZRTJRUJP-GRYCIOLGSA-N 1 1 320.393 -1.127 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049020089 678571421 /nfs/dbraw/zinc/57/14/21/678571421.db2.gz XHVRWLIUOFTILC-WRWGMCAJSA-N 1 1 321.381 -1.663 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022043 678571446 /nfs/dbraw/zinc/57/14/46/678571446.db2.gz IKQJEHVYNIOCPT-PHIMTYICSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)nn1 ZINC001049021635 678571457 /nfs/dbraw/zinc/57/14/57/678571457.db2.gz AIAJRPWIBMOQAK-PHIMTYICSA-N 1 1 318.381 -1.029 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)C4(C(N)=O)CC4)C[C@H]3C2)nn1 ZINC001049021635 678571461 /nfs/dbraw/zinc/57/14/61/678571461.db2.gz AIAJRPWIBMOQAK-PHIMTYICSA-N 1 1 318.381 -1.029 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]2C1 ZINC001049022613 678571523 /nfs/dbraw/zinc/57/15/23/678571523.db2.gz NXCADWNCVLNQMH-MXWKQRLJSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049020088 678571578 /nfs/dbraw/zinc/57/15/78/678571578.db2.gz XHVRWLIUOFTILC-WHOHXGKFSA-N 1 1 321.381 -1.663 20 0 DAADMO COCCc1noc(C[N@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049021502 678571750 /nfs/dbraw/zinc/57/17/50/678571750.db2.gz WYVZRBVHBHXIDF-AOOOYVTPSA-N 1 1 323.353 -1.366 20 0 DAADMO COCCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049021502 678571754 /nfs/dbraw/zinc/57/17/54/678571754.db2.gz WYVZRBVHBHXIDF-AOOOYVTPSA-N 1 1 323.353 -1.366 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049022497 678571770 /nfs/dbraw/zinc/57/17/70/678571770.db2.gz HVRWBCQJVIDVFN-DTORHVGOSA-N 1 1 309.326 -2.586 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@H]2C1 ZINC001049040672 678572052 /nfs/dbraw/zinc/57/20/52/678572052.db2.gz ZAENGOJZCXAFER-OZWUEAAUSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001049023230 678572495 /nfs/dbraw/zinc/57/24/95/678572495.db2.gz READCHZEUVPKNK-MXWKQRLJSA-N 1 1 315.395 -1.703 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049060785 678572750 /nfs/dbraw/zinc/57/27/50/678572750.db2.gz MRTBUWUTYDYYQT-DNIRFERGSA-N 1 1 320.393 -1.223 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001049061902 678573092 /nfs/dbraw/zinc/57/30/92/678573092.db2.gz RCNGATRREIPEJX-RYUDHWBXSA-N 1 1 324.385 -1.211 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CCNC1=O ZINC001049056752 678573136 /nfs/dbraw/zinc/57/31/36/678573136.db2.gz YBIDHLSYMIPZML-BUWBCJGYSA-N 1 1 320.393 -1.209 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049061655 678573160 /nfs/dbraw/zinc/57/31/60/678573160.db2.gz XRPSFAHETBIHTF-CSYMLDBXSA-N 1 1 306.366 -1.614 20 0 DAADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@@H]1CCC(=O)N1 ZINC001049073332 678573413 /nfs/dbraw/zinc/57/34/13/678573413.db2.gz LGNZJWFSNSFDMQ-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062540 678573433 /nfs/dbraw/zinc/57/34/33/678573433.db2.gz AQDMKTRYJYOMOI-CSYMLDBXSA-N 1 1 308.382 -1.238 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049062594 678573522 /nfs/dbraw/zinc/57/35/22/678573522.db2.gz BUXQOUKESTZECC-LBELIVKGSA-N 1 1 322.409 -1.025 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049084476 678573640 /nfs/dbraw/zinc/57/36/40/678573640.db2.gz NLTGQKCPVJDXLD-IMSYWVGJSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@H]1CCC(=O)N1 ZINC001049073330 678573728 /nfs/dbraw/zinc/57/37/28/678573728.db2.gz LGNZJWFSNSFDMQ-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC001049063467 678573820 /nfs/dbraw/zinc/57/38/20/678573820.db2.gz VZTIXIGWATWKFB-BBBLOLIVSA-N 1 1 319.365 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)n3)C[C@H]2C1 ZINC001049115100 678574169 /nfs/dbraw/zinc/57/41/69/678574169.db2.gz DCDGDYRBZRDSQQ-PHIMTYICSA-N 1 1 306.370 -1.093 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049114207 678574241 /nfs/dbraw/zinc/57/42/41/678574241.db2.gz NNMCWXNEYKFONP-ZMLRMANQSA-N 1 1 309.366 -1.190 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049113423 678574277 /nfs/dbraw/zinc/57/42/77/678574277.db2.gz DSQPUWVFWIWGAU-AOOOYVTPSA-N 1 1 308.338 -2.085 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 ZINC001049118492 678574359 /nfs/dbraw/zinc/57/43/59/678574359.db2.gz YXLNOAIQINNBPA-GARJFASQSA-N 1 1 310.354 -1.691 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]2C1 ZINC001049114155 678574664 /nfs/dbraw/zinc/57/46/64/678574664.db2.gz KZPSOVQULKFJPQ-INTQDDNPSA-N 1 1 322.365 -1.697 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049112282 678574675 /nfs/dbraw/zinc/57/46/75/678574675.db2.gz IWINAGDNPJZPTF-YFKTTZPYSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049154574 678575016 /nfs/dbraw/zinc/57/50/16/678575016.db2.gz FXANMBNTFHOZPM-TXEJJXNPSA-N 1 1 324.381 -1.299 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128673 678575066 /nfs/dbraw/zinc/57/50/66/678575066.db2.gz HEPXYLJFVKIBHI-TXEJJXNPSA-N 1 1 321.385 -1.458 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC001049134530 678575125 /nfs/dbraw/zinc/57/51/25/678575125.db2.gz LPCVQWUFESNKSA-AOOOYVTPSA-N 1 1 305.338 -1.397 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049155153 678575229 /nfs/dbraw/zinc/57/52/29/678575229.db2.gz XCNGDHOCGQFKJW-PHIMTYICSA-N 1 1 310.354 -1.689 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049160656 678576064 /nfs/dbraw/zinc/57/60/64/678576064.db2.gz FIFWIJSPZOULIP-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049164125 678576087 /nfs/dbraw/zinc/57/60/87/678576087.db2.gz WISVMOACSFGBIS-PHIMTYICSA-N 1 1 306.370 -1.174 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)n1 ZINC001049178693 678576383 /nfs/dbraw/zinc/57/63/83/678576383.db2.gz JDVXYFCFFLGBST-LOWVWBTDSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)n1 ZINC001049178693 678576388 /nfs/dbraw/zinc/57/63/88/678576388.db2.gz JDVXYFCFFLGBST-LOWVWBTDSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)nn1 ZINC001049178468 678576687 /nfs/dbraw/zinc/57/66/87/678576687.db2.gz GMDXBZHXLLZGEX-LOWVWBTDSA-N 1 1 318.381 -1.016 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC(=O)N4)C[C@H]3C2)nn1 ZINC001049178468 678576689 /nfs/dbraw/zinc/57/66/89/678576689.db2.gz GMDXBZHXLLZGEX-LOWVWBTDSA-N 1 1 318.381 -1.016 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049179144 678576918 /nfs/dbraw/zinc/57/69/18/678576918.db2.gz QGLPRTMAHPPZST-WYUUTHIRSA-N 1 1 308.382 -1.210 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)ccc1=O ZINC001049202915 678577343 /nfs/dbraw/zinc/57/73/43/678577343.db2.gz JWLSVIKDBQETRB-AOOOYVTPSA-N 1 1 305.338 -1.731 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049197991 678577519 /nfs/dbraw/zinc/57/75/19/678577519.db2.gz YEHCFLGVCNGIQF-XQQFMLRXSA-N 1 1 324.381 -1.891 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049207199 678577901 /nfs/dbraw/zinc/57/79/01/678577901.db2.gz XMAURXOWIBPGBO-TUAOUCFPSA-N 1 1 324.381 -1.253 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049206311 678578148 /nfs/dbraw/zinc/57/81/48/678578148.db2.gz XPUQROORYNTOOH-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)C1=O ZINC001049205155 678578168 /nfs/dbraw/zinc/57/81/68/678578168.db2.gz XCVAAFPBLHXKQL-FRRDWIJNSA-N 1 1 318.381 -1.101 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2C1 ZINC001049207979 678578237 /nfs/dbraw/zinc/57/82/37/678578237.db2.gz YEQDDMAIPKPMAH-TXEJJXNPSA-N 1 1 304.350 -1.276 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049205197 678578289 /nfs/dbraw/zinc/57/82/89/678578289.db2.gz YCAUJWBLBZYJQY-BETUJISGSA-N 1 1 316.369 -1.040 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]2C1 ZINC001049206234 678578300 /nfs/dbraw/zinc/57/83/00/678578300.db2.gz IEHWVUHLNUCNPJ-TXEJJXNPSA-N 1 1 323.397 -1.347 20 0 DAADMO O=C([C@@H]1CCCS1(=O)=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049224162 678578490 /nfs/dbraw/zinc/57/84/90/678578490.db2.gz BFRMNPBSUNRMFV-TUAOUCFPSA-N 1 1 302.396 -1.054 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC001049216799 678578511 /nfs/dbraw/zinc/57/85/11/678578511.db2.gz IFLHUUFEHKYNOD-IEBDPFPHSA-N 1 1 319.365 -1.009 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222774 678578521 /nfs/dbraw/zinc/57/85/21/678578521.db2.gz UPVPNPHYBJJWAE-MJBXVCDLSA-N 1 1 324.425 -1.157 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049224048 678578569 /nfs/dbraw/zinc/57/85/69/678578569.db2.gz ZRELLSQVUALEJJ-HZSPNIEDSA-N 1 1 311.382 -1.384 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)C1 ZINC001049222773 678578596 /nfs/dbraw/zinc/57/85/96/678578596.db2.gz UPVPNPHYBJJWAE-HZSPNIEDSA-N 1 1 324.425 -1.157 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049219032 678578784 /nfs/dbraw/zinc/57/87/84/678578784.db2.gz CJSLNLUOGDEQDV-TUAOUCFPSA-N 1 1 317.411 -1.285 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]2C1 ZINC001049232981 678578794 /nfs/dbraw/zinc/57/87/94/678578794.db2.gz GZCZBWPVGFJGTO-PHIMTYICSA-N 1 1 322.369 -1.586 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049218880 678578994 /nfs/dbraw/zinc/57/89/94/678578994.db2.gz AAAGFLXWACANQU-WYUUTHIRSA-N 1 1 317.411 -1.551 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)nn1 ZINC001049233995 678579085 /nfs/dbraw/zinc/57/90/85/678579085.db2.gz URFZWJGHSUAWJQ-AOOOYVTPSA-N 1 1 308.342 -2.241 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 ZINC001049249603 678579385 /nfs/dbraw/zinc/57/93/85/678579385.db2.gz UEFYQQQZEKSOFS-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 ZINC001049250245 678579430 /nfs/dbraw/zinc/57/94/30/678579430.db2.gz CLJQPTUVOZJHTF-WYUUTHIRSA-N 1 1 323.397 -1.207 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]2C1 ZINC001049247927 678579449 /nfs/dbraw/zinc/57/94/49/678579449.db2.gz KBKSIBUBMUTDJT-PHIMTYICSA-N 1 1 317.349 -1.330 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@H]2C1 ZINC001049242235 678579539 /nfs/dbraw/zinc/57/95/39/678579539.db2.gz NJHHCARFJDDLNN-GARJFASQSA-N 1 1 321.381 -1.399 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314543 678579604 /nfs/dbraw/zinc/57/96/04/678579604.db2.gz MNYXRLQNQNRLHO-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314543 678579606 /nfs/dbraw/zinc/57/96/06/678579606.db2.gz MNYXRLQNQNRLHO-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254941 678579670 /nfs/dbraw/zinc/57/96/70/678579670.db2.gz SFSTYGARNIREHQ-DBIOUOCHSA-N 1 1 322.365 -1.697 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049251775 678579763 /nfs/dbraw/zinc/57/97/63/678579763.db2.gz MEGCKKMMQSXYTB-GARJFASQSA-N 1 1 322.365 -1.825 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314542 678579804 /nfs/dbraw/zinc/57/98/04/678579804.db2.gz MNYXRLQNQNRLHO-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049314542 678579806 /nfs/dbraw/zinc/57/98/06/678579806.db2.gz MNYXRLQNQNRLHO-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049380635 678581076 /nfs/dbraw/zinc/58/10/76/678581076.db2.gz CCZLARBNAVBSNH-GHMZBOCLSA-N 1 1 317.411 -1.028 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(N)=O ZINC001049380635 678581079 /nfs/dbraw/zinc/58/10/79/678581079.db2.gz CCZLARBNAVBSNH-GHMZBOCLSA-N 1 1 317.411 -1.028 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049390335 678581780 /nfs/dbraw/zinc/58/17/80/678581780.db2.gz ZWJZGFDSZIOPJE-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCN1CCNC1=O ZINC001049390332 678581912 /nfs/dbraw/zinc/58/19/12/678581912.db2.gz ZWJZGFDSZIOPJE-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049428128 678582284 /nfs/dbraw/zinc/58/22/84/678582284.db2.gz FPKRTDASHCFEDY-QWRGUYRKSA-N 1 1 324.385 -1.291 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COC(=O)N1 ZINC001049444361 678582308 /nfs/dbraw/zinc/58/23/08/678582308.db2.gz XCXRUUXJRWUUNC-GMTAPVOTSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1COC(=O)N1 ZINC001049444361 678582310 /nfs/dbraw/zinc/58/23/10/678582310.db2.gz XCXRUUXJRWUUNC-GMTAPVOTSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COC(=O)N1 ZINC001049444360 678582329 /nfs/dbraw/zinc/58/23/29/678582329.db2.gz XCXRUUXJRWUUNC-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1COC(=O)N1 ZINC001049444360 678582333 /nfs/dbraw/zinc/58/23/33/678582333.db2.gz XCXRUUXJRWUUNC-GARJFASQSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049430040 678582409 /nfs/dbraw/zinc/58/24/09/678582409.db2.gz YZHUISRYWVLZEW-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)n1 ZINC001049482275 678582964 /nfs/dbraw/zinc/58/29/64/678582964.db2.gz LUWMLJXLTGTZAY-QWRGUYRKSA-N 1 1 322.369 -1.565 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049519888 678583049 /nfs/dbraw/zinc/58/30/49/678583049.db2.gz ANVMURNIQCVDCD-OLZOCXBDSA-N 1 1 311.382 -1.097 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469073 678583101 /nfs/dbraw/zinc/58/31/01/678583101.db2.gz KJPZUPNEIZKVAH-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469073 678583104 /nfs/dbraw/zinc/58/31/04/678583104.db2.gz KJPZUPNEIZKVAH-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049519887 678583193 /nfs/dbraw/zinc/58/31/93/678583193.db2.gz ANVMURNIQCVDCD-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469078 678583268 /nfs/dbraw/zinc/58/32/68/678583268.db2.gz KJPZUPNEIZKVAH-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049469078 678583271 /nfs/dbraw/zinc/58/32/71/678583271.db2.gz KJPZUPNEIZKVAH-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049527014 678583285 /nfs/dbraw/zinc/58/32/85/678583285.db2.gz KQKCUFTWVHLEHL-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)ncc1=O ZINC001049604748 678583772 /nfs/dbraw/zinc/58/37/72/678583772.db2.gz HYHPATVMQGXKDV-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)ncc1=O ZINC001049604748 678583774 /nfs/dbraw/zinc/58/37/74/678583774.db2.gz HYHPATVMQGXKDV-RYUDHWBXSA-N 1 1 319.365 -1.056 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)CC1=O ZINC001049559434 678583848 /nfs/dbraw/zinc/58/38/48/678583848.db2.gz WRBCQEPSMOUQGC-ZIAGYGMSSA-N 1 1 324.425 -1.182 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCNC1=O ZINC001049636740 678584346 /nfs/dbraw/zinc/58/43/46/678584346.db2.gz UVDLENYYYWGBAU-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCNC1=O ZINC001049636740 678584349 /nfs/dbraw/zinc/58/43/49/678584349.db2.gz UVDLENYYYWGBAU-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652947 678584392 /nfs/dbraw/zinc/58/43/92/678584392.db2.gz YZQKXXQKSGQGQU-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652947 678584395 /nfs/dbraw/zinc/58/43/95/678584395.db2.gz YZQKXXQKSGQGQU-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)NC1=O ZINC001049637762 678584471 /nfs/dbraw/zinc/58/44/71/678584471.db2.gz YYBKUWLRBZOFOX-GMTAPVOTSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)NC1=O ZINC001049637762 678584472 /nfs/dbraw/zinc/58/44/72/678584472.db2.gz YYBKUWLRBZOFOX-GMTAPVOTSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(N)=O)NC1=O ZINC001049637769 678584479 /nfs/dbraw/zinc/58/44/79/678584479.db2.gz YYBKUWLRBZOFOX-VWYCJHECSA-N 1 1 309.370 -1.439 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(N)=O)NC1=O ZINC001049637769 678584483 /nfs/dbraw/zinc/58/44/83/678584483.db2.gz YYBKUWLRBZOFOX-VWYCJHECSA-N 1 1 309.370 -1.439 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC001049687840 678584867 /nfs/dbraw/zinc/58/48/67/678584867.db2.gz NJODTTBZNXZYIX-GHMZBOCLSA-N 1 1 322.365 -1.314 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049754899 678585102 /nfs/dbraw/zinc/58/51/02/678585102.db2.gz OQVBNHMQANAFIB-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049754902 678585270 /nfs/dbraw/zinc/58/52/70/678585270.db2.gz OQVBNHMQANAFIB-DCAQKATOSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790048 678586075 /nfs/dbraw/zinc/58/60/75/678586075.db2.gz JSSCVWSPDKVVQO-VHSXEESVSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CC(=O)NC1=O ZINC001049790048 678586077 /nfs/dbraw/zinc/58/60/77/678586077.db2.gz JSSCVWSPDKVVQO-VHSXEESVSA-N 1 1 323.353 -1.911 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049884692 678586447 /nfs/dbraw/zinc/58/64/47/678586447.db2.gz KZKPCGXVFPYLNL-QJPTWQEYSA-N 1 1 324.381 -1.016 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885553 678586669 /nfs/dbraw/zinc/58/66/69/678586669.db2.gz NYGXTWLZKYXJAK-VHSXEESVSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885553 678586672 /nfs/dbraw/zinc/58/66/72/678586672.db2.gz NYGXTWLZKYXJAK-VHSXEESVSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885546 678586775 /nfs/dbraw/zinc/58/67/75/678586775.db2.gz NYGXTWLZKYXJAK-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CN1C(=O)CNC1=O ZINC001049885546 678586777 /nfs/dbraw/zinc/58/67/77/678586777.db2.gz NYGXTWLZKYXJAK-UWVGGRQHSA-N 1 1 323.353 -1.911 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049967656 678587063 /nfs/dbraw/zinc/58/70/63/678587063.db2.gz JQTZSFPHUGKMHG-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001049967273 678587357 /nfs/dbraw/zinc/58/73/57/678587357.db2.gz IUAYHQUTZSLIMB-SDDRHHMPSA-N 1 1 321.385 -1.140 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001052670821 678588339 /nfs/dbraw/zinc/58/83/39/678588339.db2.gz IFGDVEUSLNSNCK-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001052670821 678588342 /nfs/dbraw/zinc/58/83/42/678588342.db2.gz IFGDVEUSLNSNCK-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001051585860 678588490 /nfs/dbraw/zinc/58/84/90/678588490.db2.gz ZYCIWAOPDFEHNV-ZJUUUORDSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001052670820 678588635 /nfs/dbraw/zinc/58/86/35/678588635.db2.gz IFGDVEUSLNSNCK-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001052670820 678588637 /nfs/dbraw/zinc/58/86/37/678588637.db2.gz IFGDVEUSLNSNCK-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671807 678589049 /nfs/dbraw/zinc/58/90/49/678589049.db2.gz QJCDEHHDNOYZQO-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671807 678589053 /nfs/dbraw/zinc/58/90/53/678589053.db2.gz QJCDEHHDNOYZQO-JQWIXIFHSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671812 678589075 /nfs/dbraw/zinc/58/90/75/678589075.db2.gz QJCDEHHDNOYZQO-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671812 678589078 /nfs/dbraw/zinc/58/90/78/678589078.db2.gz QJCDEHHDNOYZQO-ZYHUDNBSSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671810 678589162 /nfs/dbraw/zinc/58/91/62/678589162.db2.gz QJCDEHHDNOYZQO-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001052671810 678589164 /nfs/dbraw/zinc/58/91/64/678589164.db2.gz QJCDEHHDNOYZQO-PWSUYJOCSA-N 1 1 321.385 -1.033 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001052680265 678589295 /nfs/dbraw/zinc/58/92/95/678589295.db2.gz YKYKXOSXSGTUOZ-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001052673802 678589388 /nfs/dbraw/zinc/58/93/88/678589388.db2.gz DHWIGBVCYGQDNU-GHMZBOCLSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798423 678589865 /nfs/dbraw/zinc/58/98/65/678589865.db2.gz RLMJKDKVAWUBKN-VIFPVBQESA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798418 678589927 /nfs/dbraw/zinc/58/99/27/678589927.db2.gz RLMJKDKVAWUBKN-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001052798722 678590058 /nfs/dbraw/zinc/59/00/58/678590058.db2.gz WDOAUUJTSRMCNJ-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CCO)CC2)c(=O)n1C ZINC001052905037 678590390 /nfs/dbraw/zinc/59/03/90/678590390.db2.gz CVCMRKCTDHVGMP-LBPRGKRZSA-N 1 1 311.386 -1.147 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052844966 678590453 /nfs/dbraw/zinc/59/04/53/678590453.db2.gz SOBVLOSUSKAMIM-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052920828 678591068 /nfs/dbraw/zinc/59/10/68/678591068.db2.gz FCEIJOOOPZJQDU-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052921571 678591218 /nfs/dbraw/zinc/59/12/18/678591218.db2.gz JUTFHPVPVCZCHT-SNVBAGLBSA-N 1 1 310.354 -1.409 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052977155 678591736 /nfs/dbraw/zinc/59/17/36/678591736.db2.gz BEXYDKQGORLJRX-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001052957003 678591988 /nfs/dbraw/zinc/59/19/88/678591988.db2.gz CBINOYWNDRYYLI-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001052930742 678592028 /nfs/dbraw/zinc/59/20/28/678592028.db2.gz ZRBUIURXETWRIL-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)C(N)=O)C1 ZINC001052986731 678592450 /nfs/dbraw/zinc/59/24/50/678592450.db2.gz IWNFMMCPHULOFU-ONGXEEELSA-N 1 1 307.354 -1.112 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001052977789 678592563 /nfs/dbraw/zinc/59/25/63/678592563.db2.gz MZNQWMQWIMCAHD-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO COCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202365 678595564 /nfs/dbraw/zinc/59/55/64/678595564.db2.gz OZDPCBVUQLAWHV-ZDUSSCGKSA-N 1 1 313.398 -1.123 20 0 DAADMO COCCN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202365 678595565 /nfs/dbraw/zinc/59/55/65/678595565.db2.gz OZDPCBVUQLAWHV-ZDUSSCGKSA-N 1 1 313.398 -1.123 20 0 DAADMO COCCN1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC001053202364 678595763 /nfs/dbraw/zinc/59/57/63/678595763.db2.gz OZDPCBVUQLAWHV-CYBMUJFWSA-N 1 1 313.398 -1.123 20 0 DAADMO COCCN1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC001053202364 678595767 /nfs/dbraw/zinc/59/57/67/678595767.db2.gz OZDPCBVUQLAWHV-CYBMUJFWSA-N 1 1 313.398 -1.123 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053260615 678597773 /nfs/dbraw/zinc/59/77/73/678597773.db2.gz HXIHUUFMJPKKIT-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001053318000 678600479 /nfs/dbraw/zinc/60/04/79/678600479.db2.gz SKOBUNZQNCLAFM-KOLCDFICSA-N 1 1 307.354 -1.112 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001053342064 678601750 /nfs/dbraw/zinc/60/17/50/678601750.db2.gz OIDWIYZMPYPFKB-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053370772 678602684 /nfs/dbraw/zinc/60/26/84/678602684.db2.gz UWOIHNYMVARPJA-UHFFFAOYSA-N 1 1 322.409 -1.259 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)C1 ZINC001053402923 678603481 /nfs/dbraw/zinc/60/34/81/678603481.db2.gz HNWNTEFSERUNTR-SMDDNHRTSA-N 1 1 309.366 -1.189 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@H]3C[C@@]34CCOC4)C2)C1 ZINC001053402920 678603570 /nfs/dbraw/zinc/60/35/70/678603570.db2.gz HNWNTEFSERUNTR-BXUZGUMPSA-N 1 1 309.366 -1.189 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@@H]3CCNC(=O)CC3)C2)C1 ZINC001053404671 678603823 /nfs/dbraw/zinc/60/38/23/678603823.db2.gz QIPXVFJUATZQLW-NSHDSACASA-N 1 1 324.381 -1.699 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053428970 678604396 /nfs/dbraw/zinc/60/43/96/678604396.db2.gz BKUXJDCWDXTRSC-GFCCVEGCSA-N 1 1 310.398 -1.131 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001053427550 678604669 /nfs/dbraw/zinc/60/46/69/678604669.db2.gz CVNGZDGLJAHPFP-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCOC3(CN(CC(N)=O)C3)C2)C1 ZINC001053428526 678604694 /nfs/dbraw/zinc/60/46/94/678604694.db2.gz QRHNOKIVKGXAEN-GFCCVEGCSA-N 1 1 310.398 -1.273 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053450953 678605112 /nfs/dbraw/zinc/60/51/12/678605112.db2.gz QSRXYIIZFHCEPZ-NSHDSACASA-N 1 1 322.365 -1.092 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506542 678606698 /nfs/dbraw/zinc/60/66/98/678606698.db2.gz JTIGEHZNKSYEQF-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@@H](C(N)=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530841 678607966 /nfs/dbraw/zinc/60/79/66/678607966.db2.gz HWOWXYSXQXNWBF-NWDGAFQWSA-N 1 1 310.398 -1.275 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CN([C@@H]4CCNC4=O)C3)C2)C1 ZINC001053531320 678607970 /nfs/dbraw/zinc/60/79/70/678607970.db2.gz OJKFCMWBENIXHT-QWHCGFSZSA-N 1 1 322.409 -1.260 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1COC(=O)N1 ZINC001053595640 678609013 /nfs/dbraw/zinc/60/90/13/678609013.db2.gz BJHPSUZMCOIVDY-MNOVXSKESA-N 1 1 313.354 -1.173 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1COC(=O)N1 ZINC001053595639 678609158 /nfs/dbraw/zinc/60/91/58/678609158.db2.gz BJHPSUZMCOIVDY-GHMZBOCLSA-N 1 1 313.354 -1.173 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(CN(CC(N)=O)C2)O1 ZINC001053583264 678609244 /nfs/dbraw/zinc/60/92/44/678609244.db2.gz WVJLEQXYDNUPJP-NEPJUHHUSA-N 1 1 310.398 -1.085 20 0 DAADMO O=C(NC[C@@H]1CCC2(C[NH+](CCCO)C2)O1)[C@H]1CCNC1=O ZINC001053643048 678610343 /nfs/dbraw/zinc/61/03/43/678610343.db2.gz SSPAEHKKVCDIFX-RYUDHWBXSA-N 1 1 311.382 -1.146 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)O2 ZINC001053671008 678611064 /nfs/dbraw/zinc/61/10/64/678611064.db2.gz ZMXQYNCTONQDMJ-UWVGGRQHSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC3(CN(CC(N)=O)C3)O2)C1 ZINC001053698786 678611243 /nfs/dbraw/zinc/61/12/43/678611243.db2.gz VPUUFOMFJIPPTO-NWDGAFQWSA-N 1 1 310.398 -1.227 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CC(N)=O)nn1)O2 ZINC001053701571 678611492 /nfs/dbraw/zinc/61/14/92/678611492.db2.gz YCOZOQUKNOQJNR-SNVBAGLBSA-N 1 1 322.369 -1.254 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(CC(N)=O)C3)O2)C1 ZINC001053698788 678611530 /nfs/dbraw/zinc/61/15/30/678611530.db2.gz VPUUFOMFJIPPTO-VXGBXAGGSA-N 1 1 310.398 -1.227 20 0 DAADMO COCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CO2 ZINC001053765997 678612999 /nfs/dbraw/zinc/61/29/99/678612999.db2.gz CBLFVNXJTIGBKC-CHWSQXEVSA-N 1 1 313.398 -1.077 20 0 DAADMO COCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CO2 ZINC001053765997 678613005 /nfs/dbraw/zinc/61/30/05/678613005.db2.gz CBLFVNXJTIGBKC-CHWSQXEVSA-N 1 1 313.398 -1.077 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CO2 ZINC001053833153 678616708 /nfs/dbraw/zinc/61/67/08/678616708.db2.gz UTZBTZGSIGVFGK-UWVGGRQHSA-N 1 1 310.354 -1.048 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053831674 678617020 /nfs/dbraw/zinc/61/70/20/678617020.db2.gz MFPILHIAYMEQBV-QWRGUYRKSA-N 1 1 322.365 -1.046 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)O1 ZINC001053844397 678617607 /nfs/dbraw/zinc/61/76/07/678617607.db2.gz HYWKCOKQLKXXGJ-JHJVBQTASA-N 1 1 313.398 -1.343 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)O1 ZINC001053844397 678617608 /nfs/dbraw/zinc/61/76/08/678617608.db2.gz HYWKCOKQLKXXGJ-JHJVBQTASA-N 1 1 313.398 -1.343 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncn(C)c1=O)CO2 ZINC001053852949 678618200 /nfs/dbraw/zinc/61/82/00/678618200.db2.gz TZDJSWZTLABWDW-LLVKDONJSA-N 1 1 309.370 -1.049 20 0 DAADMO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001053911948 678622362 /nfs/dbraw/zinc/62/23/62/678622362.db2.gz QLLJTTZDFIFCJT-MNOVXSKESA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053925186 678623210 /nfs/dbraw/zinc/62/32/10/678623210.db2.gz BGARJGVCNOTBRN-VXGBXAGGSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053924746 678623396 /nfs/dbraw/zinc/62/33/96/678623396.db2.gz BUIBHJZCMHTUNA-NEPJUHHUSA-N 1 1 310.398 -1.227 20 0 DAADMO CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053958871 678624695 /nfs/dbraw/zinc/62/46/95/678624695.db2.gz NEHJIMMPMATHRF-JTQLQIEISA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053958670 678624750 /nfs/dbraw/zinc/62/47/50/678624750.db2.gz JPYVFYAKEJWYGQ-NSHDSACASA-N 1 1 322.365 -1.092 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054007820 678627385 /nfs/dbraw/zinc/62/73/85/678627385.db2.gz MZYBHFRDUPIDPN-GFCCVEGCSA-N 1 1 321.381 -1.103 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CN=NC1=O)C2 ZINC001054118368 678629143 /nfs/dbraw/zinc/62/91/43/678629143.db2.gz HJDSOMSKYMSYCF-AWEZNQCLSA-N 1 1 322.369 -1.217 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COC(=O)N1)C2 ZINC001054123552 678629205 /nfs/dbraw/zinc/62/92/05/678629205.db2.gz XWPFPLIYWAWNJK-IINYFYTJSA-N 1 1 310.354 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186870 678629400 /nfs/dbraw/zinc/62/94/00/678629400.db2.gz GUOVSCGETOOTSM-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COC(=O)N1)C2 ZINC001054123551 678629422 /nfs/dbraw/zinc/62/94/22/678629422.db2.gz XWPFPLIYWAWNJK-HZMBPMFUSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054083051 678629429 /nfs/dbraw/zinc/62/94/29/678629429.db2.gz VXPHBAIOKVDDLZ-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082727 678629439 /nfs/dbraw/zinc/62/94/39/678629439.db2.gz QFNSDFYBTUPWIO-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082259 678629458 /nfs/dbraw/zinc/62/94/58/678629458.db2.gz HMBQMJHSPWHDOS-BXUZGUMPSA-N 1 1 321.385 -1.139 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187950 678629517 /nfs/dbraw/zinc/62/95/17/678629517.db2.gz CHFBOCVBDKNMHZ-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(N)=O)C2 ZINC001054187950 678629519 /nfs/dbraw/zinc/62/95/19/678629519.db2.gz CHFBOCVBDKNMHZ-ZDUSSCGKSA-N 1 1 317.411 -1.169 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001054365476 678630025 /nfs/dbraw/zinc/63/00/25/678630025.db2.gz HHIQJMZRNFYOAZ-WDEREUQCSA-N 1 1 319.373 -1.079 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001054365473 678630080 /nfs/dbraw/zinc/63/00/80/678630080.db2.gz HHIQJMZRNFYOAZ-GHMZBOCLSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054366975 678630670 /nfs/dbraw/zinc/63/06/70/678630670.db2.gz NKRLPHSIPJPVLP-VHSXEESVSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054460297 678631387 /nfs/dbraw/zinc/63/13/87/678631387.db2.gz LGKDNEWAOQCHID-BDAKNGLRSA-N 1 1 316.387 -1.809 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054463137 678631633 /nfs/dbraw/zinc/63/16/33/678631633.db2.gz XNBLUEOZYZIVEP-ZJUUUORDSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054463136 678631641 /nfs/dbraw/zinc/63/16/41/678631641.db2.gz XNBLUEOZYZIVEP-VHSXEESVSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054583051 678632071 /nfs/dbraw/zinc/63/20/71/678632071.db2.gz USITWAVTRRLPRH-IUCAKERBSA-N 1 1 321.345 -1.856 20 0 DAADMO C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054584169 678632231 /nfs/dbraw/zinc/63/22/31/678632231.db2.gz XKHWHJZLLBNDKN-VHSXEESVSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054584738 678632262 /nfs/dbraw/zinc/63/22/62/678632262.db2.gz XWGLWIDMADECKW-MWLCHTKSSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001054580366 678632300 /nfs/dbraw/zinc/63/23/00/678632300.db2.gz MCXYGYPJWDLRLE-NXEZZACHSA-N 1 1 320.357 -1.251 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054588927 678632508 /nfs/dbraw/zinc/63/25/08/678632508.db2.gz UUPCRSPQMSVPQZ-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054622331 678632751 /nfs/dbraw/zinc/63/27/51/678632751.db2.gz OBLVNYVQWLBJLW-IUCAKERBSA-N 1 1 321.341 -1.248 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054618311 678632863 /nfs/dbraw/zinc/63/28/63/678632863.db2.gz KQFNMTOZLVJCSN-RKDXNWHRSA-N 1 1 305.346 -1.411 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001054649434 678633297 /nfs/dbraw/zinc/63/32/97/678633297.db2.gz NEBCEGXQQNYWFN-WDEREUQCSA-N 1 1 319.373 -1.079 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001054649431 678633466 /nfs/dbraw/zinc/63/34/66/678633466.db2.gz NEBCEGXQQNYWFN-GHMZBOCLSA-N 1 1 319.373 -1.079 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)nn1 ZINC001054651293 678634107 /nfs/dbraw/zinc/63/41/07/678634107.db2.gz WNVZNXDRRTYUCT-ZYHUDNBSSA-N 1 1 319.373 -1.079 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054696871 678634244 /nfs/dbraw/zinc/63/42/44/678634244.db2.gz NHSMZQAWFIOZDD-ZJUUUORDSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054696868 678634270 /nfs/dbraw/zinc/63/42/70/678634270.db2.gz NHSMZQAWFIOZDD-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)[nH]1 ZINC001054651591 678634340 /nfs/dbraw/zinc/63/43/40/678634340.db2.gz ZBOKKMLTKIVGAD-WCBMZHEXSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054777357 678634587 /nfs/dbraw/zinc/63/45/87/678634587.db2.gz HFKBGZBOALOKLE-WCBMZHEXSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054750172 678634782 /nfs/dbraw/zinc/63/47/82/678634782.db2.gz LWZKRPVSZPEZKO-JQWIXIFHSA-N 1 1 323.353 -1.135 20 0 DAADMO C[C@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054777358 678634798 /nfs/dbraw/zinc/63/47/98/678634798.db2.gz HFKBGZBOALOKLE-WPRPVWTQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054777356 678634977 /nfs/dbraw/zinc/63/49/77/678634977.db2.gz HFKBGZBOALOKLE-SCZZXKLOSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054981971 678636839 /nfs/dbraw/zinc/63/68/39/678636839.db2.gz QSRMFNKMZRHBTO-WPRPVWTQSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054980397 678636952 /nfs/dbraw/zinc/63/69/52/678636952.db2.gz CXESQOGJWTYIAV-WCBMZHEXSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054980352 678636958 /nfs/dbraw/zinc/63/69/58/678636958.db2.gz CGXBDLLEYCUGHT-JGVFFNPUSA-N 1 1 306.334 -2.016 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1ncnn1C ZINC001054980828 678637000 /nfs/dbraw/zinc/63/70/00/678637000.db2.gz JDVRVZHMOVWUKP-BDAKNGLRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054980831 678637172 /nfs/dbraw/zinc/63/71/72/678637172.db2.gz JDVRVZHMOVWUKP-RKDXNWHRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054980829 678637189 /nfs/dbraw/zinc/63/71/89/678637189.db2.gz JDVRVZHMOVWUKP-DTWKUNHWSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054974417 678637207 /nfs/dbraw/zinc/63/72/07/678637207.db2.gz SOKMOHATACJVEA-DTWKUNHWSA-N 1 1 320.357 -1.101 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC001055019665 678637592 /nfs/dbraw/zinc/63/75/92/678637592.db2.gz CCGYBQAFIBPIGR-RKDXNWHRSA-N 1 1 309.374 -1.150 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001055027519 678637672 /nfs/dbraw/zinc/63/76/72/678637672.db2.gz XQYPKAXNADQOKL-VHSXEESVSA-N 1 1 309.374 -1.105 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001055023586 678637764 /nfs/dbraw/zinc/63/77/64/678637764.db2.gz QZVRLQBXJPELTK-YUMQZZPRSA-N 1 1 316.312 -1.035 20 0 DAADMO C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001055018577 678637842 /nfs/dbraw/zinc/63/78/42/678637842.db2.gz UQAQRCXHTLJSLW-WPRPVWTQSA-N 1 1 318.341 -1.456 20 0 DAADMO CNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001055303009 678640063 /nfs/dbraw/zinc/64/00/63/678640063.db2.gz BBLIMHZGNFZCMU-RWMBFGLXSA-N 1 1 322.409 -1.009 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)C(F)F)CC1 ZINC001055478859 678640657 /nfs/dbraw/zinc/64/06/57/678640657.db2.gz CPISFPVFWZWSDD-UHFFFAOYSA-N 1 1 306.313 -1.176 20 0 DAADMO Cc1cc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)on1 ZINC001055516852 678641169 /nfs/dbraw/zinc/64/11/69/678641169.db2.gz VQOBRJUSAXQEMJ-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2ccon2)CC1 ZINC001055531433 678641406 /nfs/dbraw/zinc/64/14/06/678641406.db2.gz DRODJJRONLMGSU-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2cocn2)CC1 ZINC001055542628 678641458 /nfs/dbraw/zinc/64/14/58/678641458.db2.gz FRWUBRUWNORXDB-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO Cc1nc(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)co1 ZINC001055564870 678641899 /nfs/dbraw/zinc/64/18/99/678641899.db2.gz PPWGJUDMBCSZQH-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO COCC(=O)NC1CC[NH+](CCNC(=O)c2ncn(C)n2)CC1 ZINC001055569977 678642251 /nfs/dbraw/zinc/64/22/51/678642251.db2.gz BJXTVAUISFGNKL-UHFFFAOYSA-N 1 1 324.385 -1.228 20 0 DAADMO CO[C@H](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626993 678642674 /nfs/dbraw/zinc/64/26/74/678642674.db2.gz JRDHYHJEUHVWTM-SNVBAGLBSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1ncoc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626800 678642747 /nfs/dbraw/zinc/64/27/47/678642747.db2.gz HKMYHKRAGWQAPN-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO Cn1nnc(C(=O)NCC[NH+]2CCC(NC(=O)C3CC3)CC2)n1 ZINC001055617552 678642779 /nfs/dbraw/zinc/64/27/79/678642779.db2.gz JXKFFKAMVOHJJJ-UHFFFAOYSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC001055626641 678642881 /nfs/dbraw/zinc/64/28/81/678642881.db2.gz APRYMNYLTJASEB-UHFFFAOYSA-N 1 1 322.369 -1.866 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001055626754 678642888 /nfs/dbraw/zinc/64/28/88/678642888.db2.gz FLEASFUNFHMRNI-UHFFFAOYSA-N 1 1 308.342 -1.795 20 0 DAADMO Cc1cc(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)[nH]n1 ZINC001055627259 678642900 /nfs/dbraw/zinc/64/29/00/678642900.db2.gz NKQRWIJGSNLYHS-UHFFFAOYSA-N 1 1 322.369 -1.486 20 0 DAADMO CCOCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626772 678642966 /nfs/dbraw/zinc/64/29/66/678642966.db2.gz GAFLKWYIWCVNAL-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)Cc2ccc[nH]2)CC1 ZINC001055629282 678643533 /nfs/dbraw/zinc/64/35/33/678643533.db2.gz TZSXXWBRTYHUIV-UHFFFAOYSA-N 1 1 321.381 -1.261 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cncnc2)CC1 ZINC001055629374 678643556 /nfs/dbraw/zinc/64/35/56/678643556.db2.gz XYBOGPBDHQSVCC-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO Cc1nocc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628609 678643625 /nfs/dbraw/zinc/64/36/25/678643625.db2.gz FAWHZAAGIRRFQJ-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001055629352 678643671 /nfs/dbraw/zinc/64/36/71/678643671.db2.gz WYZWFJNJCGMUCE-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccncn2)CC1 ZINC001055629261 678643721 /nfs/dbraw/zinc/64/37/21/678643721.db2.gz SADZOHUQHKYCJJ-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO COCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629169 678643835 /nfs/dbraw/zinc/64/38/35/678643835.db2.gz PIKJDUDOKPFSHG-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001055839104 678648877 /nfs/dbraw/zinc/64/88/77/678648877.db2.gz ZVMCPVHADBPENJ-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(C(=O)C(N)=O)C2)C1 ZINC001055953892 678652661 /nfs/dbraw/zinc/65/26/61/678652661.db2.gz KHTUNYBFQGNWTQ-YGRLFVJLSA-N 1 1 312.370 -2.107 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056014621 678654475 /nfs/dbraw/zinc/65/44/75/678654475.db2.gz UXPKSQXJLDIQDR-CQSZACIVSA-N 1 1 323.353 -1.853 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC(=O)C(N)=O)C2)C1 ZINC001056089726 678658193 /nfs/dbraw/zinc/65/81/93/678658193.db2.gz SATWJSKEPDRCAP-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001056118028 678660814 /nfs/dbraw/zinc/66/08/14/678660814.db2.gz UOJQXMUKRRGSIY-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001056785566 678668141 /nfs/dbraw/zinc/66/81/41/678668141.db2.gz PIJLYWLAKZKGTH-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001056790219 678668532 /nfs/dbraw/zinc/66/85/32/678668532.db2.gz TYQBTTSLACFFST-NEPJUHHUSA-N 1 1 301.387 -1.232 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000104324 678670198 /nfs/dbraw/zinc/67/01/98/678670198.db2.gz XNVVVUNEVRYJJE-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cncn3)C2)C1 ZINC001000104324 678670200 /nfs/dbraw/zinc/67/02/00/678670200.db2.gz XNVVVUNEVRYJJE-LLVKDONJSA-N 1 1 308.342 -2.064 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001056815113 678672159 /nfs/dbraw/zinc/67/21/59/678672159.db2.gz ROBDNTWGHNNDEU-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CNC(N)=O ZINC001056916339 678678638 /nfs/dbraw/zinc/67/86/38/678678638.db2.gz QKDNTPYQXUTWKR-UHFFFAOYSA-N 1 1 317.390 -2.066 20 0 DAADMO Cn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001056936457 678681095 /nfs/dbraw/zinc/68/10/95/678681095.db2.gz ZPJHECTZFKAQRO-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001000755520 678681201 /nfs/dbraw/zinc/68/12/01/678681201.db2.gz ZOKFVLWLWIAHFZ-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001000755520 678681202 /nfs/dbraw/zinc/68/12/02/678681202.db2.gz ZOKFVLWLWIAHFZ-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1cccn1 ZINC001056963300 678682204 /nfs/dbraw/zinc/68/22/04/678682204.db2.gz IZRVYIIRRVAJFX-CYBMUJFWSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001000868211 678683405 /nfs/dbraw/zinc/68/34/05/678683405.db2.gz XAPCVUWYWYPQHJ-SECBINFHSA-N 1 1 322.325 -1.298 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000868213 678683666 /nfs/dbraw/zinc/68/36/66/678683666.db2.gz XAPCVUWYWYPQHJ-VIFPVBQESA-N 1 1 322.325 -1.298 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCOC2)C1 ZINC001057150498 678694805 /nfs/dbraw/zinc/69/48/05/678694805.db2.gz QYXISPPZIAFGTQ-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO Cn1cnc(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001057212398 678699731 /nfs/dbraw/zinc/69/97/31/678699731.db2.gz NMPWIBURYGWRIB-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cn1nccn1 ZINC001057212569 678699781 /nfs/dbraw/zinc/69/97/81/678699781.db2.gz QFSKZPSSVAEQGA-LBPRGKRZSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1c[nH]cn1 ZINC001057213235 678699791 /nfs/dbraw/zinc/69/97/91/678699791.db2.gz GBZLWDJPYIIKBJ-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1nc[nH]n1 ZINC001057212054 678699886 /nfs/dbraw/zinc/69/98/86/678699886.db2.gz ILXCQAIPMNTGNN-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1nnc[nH]1 ZINC001057212054 678699890 /nfs/dbraw/zinc/69/98/90/678699890.db2.gz ILXCQAIPMNTGNN-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1nnc[nH]1 ZINC001057212054 678699892 /nfs/dbraw/zinc/69/98/92/678699892.db2.gz ILXCQAIPMNTGNN-NSHDSACASA-N 1 1 324.385 -1.622 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001050019110 678701203 /nfs/dbraw/zinc/70/12/03/678701203.db2.gz CAIAFXMPPULCOO-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)[C@@H]2C1 ZINC001050019110 678701207 /nfs/dbraw/zinc/70/12/07/678701207.db2.gz CAIAFXMPPULCOO-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057241596 678701716 /nfs/dbraw/zinc/70/17/16/678701716.db2.gz FRSYPYMZRMJNPU-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057241596 678701719 /nfs/dbraw/zinc/70/17/19/678701719.db2.gz FRSYPYMZRMJNPU-SNVBAGLBSA-N 1 1 316.358 -2.871 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057242663 678702692 /nfs/dbraw/zinc/70/26/92/678702692.db2.gz CFHQLDCNSLGUQT-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050047304 678703902 /nfs/dbraw/zinc/70/39/02/678703902.db2.gz WNNVGWWNZOYHLM-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050047304 678703907 /nfs/dbraw/zinc/70/39/07/678703907.db2.gz WNNVGWWNZOYHLM-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050049430 678704307 /nfs/dbraw/zinc/70/43/07/678704307.db2.gz YSPCZYVEBDHSAA-SDDRHHMPSA-N 1 1 321.385 -1.140 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001050054870 678704844 /nfs/dbraw/zinc/70/48/44/678704844.db2.gz QHIPKNPZJVQFJC-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001050054870 678704847 /nfs/dbraw/zinc/70/48/47/678704847.db2.gz QHIPKNPZJVQFJC-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057248085 678704981 /nfs/dbraw/zinc/70/49/81/678704981.db2.gz WKWCTGQCTZIITH-UHFFFAOYSA-N 1 1 311.342 -1.996 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057249433 678704986 /nfs/dbraw/zinc/70/49/86/678704986.db2.gz XIRHZBPCBYZBAJ-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001050068786 678705275 /nfs/dbraw/zinc/70/52/75/678705275.db2.gz ISBMFKBUKBNZCH-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)cc1=O ZINC001050068786 678705278 /nfs/dbraw/zinc/70/52/78/678705278.db2.gz ISBMFKBUKBNZCH-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001050069867 678705494 /nfs/dbraw/zinc/70/54/94/678705494.db2.gz RQFMPBHEOBGKPF-QJPTWQEYSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCNC3=O)[C@@H]2C1 ZINC001050069867 678705497 /nfs/dbraw/zinc/70/54/97/678705497.db2.gz RQFMPBHEOBGKPF-QJPTWQEYSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001050069868 678705545 /nfs/dbraw/zinc/70/55/45/678705545.db2.gz RQFMPBHEOBGKPF-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCNC3=O)[C@@H]2C1 ZINC001050069868 678705548 /nfs/dbraw/zinc/70/55/48/678705548.db2.gz RQFMPBHEOBGKPF-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057257676 678706024 /nfs/dbraw/zinc/70/60/24/678706024.db2.gz LDQHKFNMOJPGCR-UHFFFAOYSA-N 1 1 323.397 -1.015 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(C)(F)F)C1 ZINC001057263235 678706162 /nfs/dbraw/zinc/70/61/62/678706162.db2.gz GRUBQRGFZNVOBC-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)C(C)(F)F)C1 ZINC001057263235 678706166 /nfs/dbraw/zinc/70/61/66/678706166.db2.gz GRUBQRGFZNVOBC-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO CC(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057262934 678706508 /nfs/dbraw/zinc/70/65/08/678706508.db2.gz BBFDJSVHPKIICZ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)C(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057262934 678706512 /nfs/dbraw/zinc/70/65/12/678706512.db2.gz BBFDJSVHPKIICZ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001050113600 678706890 /nfs/dbraw/zinc/70/68/90/678706890.db2.gz UPLUWUZXAWHRTR-GARJFASQSA-N 1 1 309.370 -1.582 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)NC1=O ZINC001050113600 678706894 /nfs/dbraw/zinc/70/68/94/678706894.db2.gz UPLUWUZXAWHRTR-GARJFASQSA-N 1 1 309.370 -1.582 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001050129252 678707013 /nfs/dbraw/zinc/70/70/13/678707013.db2.gz HMIKCUHHLRVCRH-YNEHKIRRSA-N 1 1 321.381 -1.348 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112701 678707165 /nfs/dbraw/zinc/70/71/65/678707165.db2.gz FOVXJBWASYSKJK-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112701 678707168 /nfs/dbraw/zinc/70/71/68/678707168.db2.gz FOVXJBWASYSKJK-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001050117746 678707194 /nfs/dbraw/zinc/70/71/94/678707194.db2.gz ODUFMGPZDPWZLL-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001050117746 678707196 /nfs/dbraw/zinc/70/71/96/678707196.db2.gz ODUFMGPZDPWZLL-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050152497 678707572 /nfs/dbraw/zinc/70/75/72/678707572.db2.gz REZUJIMLUYRARE-SDDRHHMPSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001050166588 678707656 /nfs/dbraw/zinc/70/76/56/678707656.db2.gz ZMHWGKRZKGBXFN-GRYCIOLGSA-N 1 1 324.381 -1.158 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001050197500 678708074 /nfs/dbraw/zinc/70/80/74/678708074.db2.gz SGEQATZUOKULSX-GRYCIOLGSA-N 1 1 324.381 -1.158 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001050182922 678708227 /nfs/dbraw/zinc/70/82/27/678708227.db2.gz HPHDUHOFOFWYRA-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001050197919 678708313 /nfs/dbraw/zinc/70/83/13/678708313.db2.gz OTRNNWAMJVFWCB-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1nc(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC001050197919 678708318 /nfs/dbraw/zinc/70/83/18/678708318.db2.gz OTRNNWAMJVFWCB-CMPLNLGQSA-N 1 1 319.365 -1.198 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001050197950 678708396 /nfs/dbraw/zinc/70/83/96/678708396.db2.gz PZKJPIVZRRSEGR-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001050197950 678708399 /nfs/dbraw/zinc/70/83/99/678708399.db2.gz PZKJPIVZRRSEGR-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050198189 678708424 /nfs/dbraw/zinc/70/84/24/678708424.db2.gz CVAKXRLBFWPEFL-NWDGAFQWSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050205519 678708490 /nfs/dbraw/zinc/70/84/90/678708490.db2.gz MESKNZPWKXWVCP-SDDRHHMPSA-N 1 1 317.411 -1.407 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001057347347 678710379 /nfs/dbraw/zinc/71/03/79/678710379.db2.gz UWTVGDOOIKQTHC-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cncnc2)C1 ZINC001057409299 678714975 /nfs/dbraw/zinc/71/49/75/678714975.db2.gz YLIDQQUAUIFSOA-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001057412913 678715399 /nfs/dbraw/zinc/71/53/99/678715399.db2.gz ABCNQZKJOTVIBV-LLVKDONJSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)CC(=O)NC ZINC001057412208 678715475 /nfs/dbraw/zinc/71/54/75/678715475.db2.gz YNALAFJXWQGLSA-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO Cn1nncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057476919 678721860 /nfs/dbraw/zinc/72/18/60/678721860.db2.gz VDCXXAJAMFSVLV-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ncc[nH]2)C1 ZINC001057521685 678726740 /nfs/dbraw/zinc/72/67/40/678726740.db2.gz JWXDMAKHUVDYDD-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO CN(C)C(=O)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848398 678733083 /nfs/dbraw/zinc/73/30/83/678733083.db2.gz HYAZYNPRARSJTK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)Cn2cccn2)C1 ZINC001057632069 678733453 /nfs/dbraw/zinc/73/34/53/678733453.db2.gz GLMXLHVOZXXSJV-CYBMUJFWSA-N 1 1 323.397 -1.228 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cc2ncc[nH]2)C1 ZINC001057633648 678733477 /nfs/dbraw/zinc/73/34/77/678733477.db2.gz PRPWMDAUYODXNL-LBPRGKRZSA-N 1 1 323.397 -1.159 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2cncnc2)C1 ZINC001057632656 678733511 /nfs/dbraw/zinc/73/35/11/678733511.db2.gz UBLFSCYPPBIDMR-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)C1 ZINC001057632077 678733666 /nfs/dbraw/zinc/73/36/66/678733666.db2.gz GNGURUYIELEKJU-SNVBAGLBSA-N 1 1 315.374 -2.457 20 0 DAADMO CO[C@@H](C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632539 678733804 /nfs/dbraw/zinc/73/38/04/678733804.db2.gz QZHBBIJHSYKCFO-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001057631588 678733847 /nfs/dbraw/zinc/73/38/47/678733847.db2.gz AKESRCNZLBCZGG-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ncc[nH]2)C1 ZINC001057632862 678733854 /nfs/dbraw/zinc/73/38/54/678733854.db2.gz ZROTZWQEKYUQDT-LLVKDONJSA-N 1 1 309.370 -1.088 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cnon2)C1 ZINC001057633812 678733862 /nfs/dbraw/zinc/73/38/62/678733862.db2.gz SZTBXBTYBDKXOX-SNVBAGLBSA-N 1 1 311.342 -1.428 20 0 DAADMO CC(=O)NCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632148 678733877 /nfs/dbraw/zinc/73/38/77/678733877.db2.gz HYLFUHLHBWFKAD-LBPRGKRZSA-N 1 1 314.386 -1.989 20 0 DAADMO Cn1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001057636697 678734042 /nfs/dbraw/zinc/73/40/42/678734042.db2.gz XDVOWADUTFSNGA-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001050858096 678734441 /nfs/dbraw/zinc/73/44/41/678734441.db2.gz DRNAQPONXFNKJW-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCCO)C1 ZINC001050858096 678734443 /nfs/dbraw/zinc/73/44/43/678734443.db2.gz DRNAQPONXFNKJW-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001050858080 678734460 /nfs/dbraw/zinc/73/44/60/678734460.db2.gz DMZUBMCKYZIVRS-NEPJUHHUSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001050858080 678734462 /nfs/dbraw/zinc/73/44/62/678734462.db2.gz DMZUBMCKYZIVRS-NEPJUHHUSA-N 1 1 314.386 -2.120 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CCO)O1 ZINC001050986118 678741341 /nfs/dbraw/zinc/74/13/41/678741341.db2.gz JXIUEFWTWAQYIN-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2COCCN2CCO)O1 ZINC001050986118 678741342 /nfs/dbraw/zinc/74/13/42/678741342.db2.gz JXIUEFWTWAQYIN-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2CCO)C1 ZINC001051082327 678745401 /nfs/dbraw/zinc/74/54/01/678745401.db2.gz YQEJUMGFJJYGFY-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO Cn1nnc(CN2CCOC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001051242294 678751714 /nfs/dbraw/zinc/75/17/14/678751714.db2.gz RUQGHSIAABWOOL-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001051250056 678751844 /nfs/dbraw/zinc/75/18/44/678751844.db2.gz JFNBICCDISPVQL-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001051250056 678751846 /nfs/dbraw/zinc/75/18/46/678751846.db2.gz JFNBICCDISPVQL-RYUDHWBXSA-N 1 1 314.386 -1.991 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)C(F)F)CCO2)nc1=O ZINC001051377318 678754150 /nfs/dbraw/zinc/75/41/50/678754150.db2.gz ZIYMAWNQIOELDF-SSDOTTSWSA-N 1 1 305.285 -1.310 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420553 678754527 /nfs/dbraw/zinc/75/45/27/678754527.db2.gz IQEQEQAMEVUGPO-NSHDSACASA-N 1 1 321.345 -2.181 20 0 DAADMO CSCC(=O)N1CCO[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001051415959 678754761 /nfs/dbraw/zinc/75/47/61/678754761.db2.gz OXNARWNTURCJFD-SECBINFHSA-N 1 1 315.399 -1.212 20 0 DAADMO CSCC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051421997 678754813 /nfs/dbraw/zinc/75/48/13/678754813.db2.gz MNOUBEBRAOTSIJ-SECBINFHSA-N 1 1 300.388 -1.110 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051420542 678754962 /nfs/dbraw/zinc/75/49/62/678754962.db2.gz IODSYVAEYXXULW-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051425233 678755286 /nfs/dbraw/zinc/75/52/86/678755286.db2.gz CASUTZWTCMBAJQ-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001051457065 678756138 /nfs/dbraw/zinc/75/61/38/678756138.db2.gz JTTNZUTXQLJPBK-SECBINFHSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3ccon3)CCO2)nc1=O ZINC001051460539 678756662 /nfs/dbraw/zinc/75/66/62/678756662.db2.gz IBRKNGZVVZIIKW-VIFPVBQESA-N 1 1 322.325 -1.273 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3ccon3)CCO2)nc1=O ZINC001051460536 678756946 /nfs/dbraw/zinc/75/69/46/678756946.db2.gz IBRKNGZVVZIIKW-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051482622 678758379 /nfs/dbraw/zinc/75/83/79/678758379.db2.gz DAFDQFNXOUUXEK-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001051480555 678758467 /nfs/dbraw/zinc/75/84/67/678758467.db2.gz RFBGKVKOBFSXIX-SECBINFHSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001051476977 678758470 /nfs/dbraw/zinc/75/84/70/678758470.db2.gz XNSCWLFMLGJALQ-QWRGUYRKSA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051482623 678758576 /nfs/dbraw/zinc/75/85/76/678758576.db2.gz DAFDQFNXOUUXEK-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1nnc(CNC[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC001051493435 678758900 /nfs/dbraw/zinc/75/89/00/678758900.db2.gz KEWKKOOIMMIAJF-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CNC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495060 678759062 /nfs/dbraw/zinc/75/90/62/678759062.db2.gz ZDOCAHJFKJNDAU-NWDGAFQWSA-N 1 1 323.401 -1.379 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051490379 678759113 /nfs/dbraw/zinc/75/91/13/678759113.db2.gz XXEYSSRWEUWSKT-GHMZBOCLSA-N 1 1 309.326 -1.335 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1C ZINC001051501788 678759213 /nfs/dbraw/zinc/75/92/13/678759213.db2.gz LBLASYBXLDYAKU-SNVBAGLBSA-N 1 1 324.385 -1.430 20 0 DAADMO Cc1nc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)c[nH]1 ZINC001051489947 678759307 /nfs/dbraw/zinc/75/93/07/678759307.db2.gz MZFLSMRLWVGIHT-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001051495062 678759318 /nfs/dbraw/zinc/75/93/18/678759318.db2.gz ZDOCAHJFKJNDAU-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC001051504820 678759870 /nfs/dbraw/zinc/75/98/70/678759870.db2.gz LIPYQGSELZAETL-SCZZXKLOSA-N 1 1 310.358 -1.133 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051546201 678760366 /nfs/dbraw/zinc/76/03/66/678760366.db2.gz YFAPLAGESXGBGR-JQWIXIFHSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)c1 ZINC001051548918 678760565 /nfs/dbraw/zinc/76/05/65/678760565.db2.gz YLNNDZSZCJSFNQ-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051508848 678760786 /nfs/dbraw/zinc/76/07/86/678760786.db2.gz HPYMOKRIJIZPRR-VXGBXAGGSA-N 1 1 307.354 -1.342 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC001051577335 678761197 /nfs/dbraw/zinc/76/11/97/678761197.db2.gz UFWWYOPYXJTUGK-ZDUSSCGKSA-N 1 1 323.353 -1.135 20 0 DAADMO Cn1oc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)cc1=O ZINC001051576333 678761551 /nfs/dbraw/zinc/76/15/51/678761551.db2.gz KSYBWKWJHPQLBA-SNVBAGLBSA-N 1 1 323.309 -1.008 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)[nH]1 ZINC001051586946 678761933 /nfs/dbraw/zinc/76/19/33/678761933.db2.gz DRQALCIGZPVUOL-UWVGGRQHSA-N 1 1 324.341 -1.461 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)c3cnnn3C)CCO2)nn1 ZINC001051587267 678762086 /nfs/dbraw/zinc/76/20/86/678762086.db2.gz GORZPHMSLBWORI-NSHDSACASA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001051588107 678762195 /nfs/dbraw/zinc/76/21/95/678762195.db2.gz NNOBGCGQXPWZOH-JTQLQIEISA-N 1 1 320.357 -1.426 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)nn1 ZINC001051594459 678762633 /nfs/dbraw/zinc/76/26/33/678762633.db2.gz KGDQIGNFIOQUBW-JTQLQIEISA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001051594233 678762664 /nfs/dbraw/zinc/76/26/64/678762664.db2.gz HLDVSUBXZSWNHF-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051594042 678762804 /nfs/dbraw/zinc/76/28/04/678762804.db2.gz DLAJJWCAIBIRAI-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cn(C)nn3)CCO2)[nH]1 ZINC001051594797 678762904 /nfs/dbraw/zinc/76/29/04/678762904.db2.gz NUJYXYFCBAPJNA-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@H](C[NH2+]Cc3nncn3C)C2)n1 ZINC001051595591 678762949 /nfs/dbraw/zinc/76/29/49/678762949.db2.gz WSTRLYLLIIATQW-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051613496 678763687 /nfs/dbraw/zinc/76/36/87/678763687.db2.gz CYSOXZFREKIGOY-NSHDSACASA-N 1 1 318.341 -1.520 20 0 DAADMO Cc1conc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051616522 678763947 /nfs/dbraw/zinc/76/39/47/678763947.db2.gz JMQAVMXASMDLGG-NSHDSACASA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)Cn3nccn3)CCO2)nn1 ZINC001051640388 678764740 /nfs/dbraw/zinc/76/47/40/678764740.db2.gz AZDBXZASMWECBX-GFCCVEGCSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)nn1 ZINC001051640389 678764976 /nfs/dbraw/zinc/76/49/76/678764976.db2.gz AZDBXZASMWECBX-LBPRGKRZSA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051641347 678765260 /nfs/dbraw/zinc/76/52/60/678765260.db2.gz UZJYBTHOASQWBP-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)CC1=O ZINC001051647027 678765282 /nfs/dbraw/zinc/76/52/82/678765282.db2.gz ITHBNYZWYYCZCI-CMPLNLGQSA-N 1 1 323.353 -1.135 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051652517 678765490 /nfs/dbraw/zinc/76/54/90/678765490.db2.gz SREHKQLQXUGQRO-PWSUYJOCSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051652519 678765623 /nfs/dbraw/zinc/76/56/23/678765623.db2.gz SREHKQLQXUGQRO-ZYHUDNBSSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051652515 678765643 /nfs/dbraw/zinc/76/56/43/678765643.db2.gz SREHKQLQXUGQRO-JQWIXIFHSA-N 1 1 323.353 -1.087 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051640950 678765677 /nfs/dbraw/zinc/76/56/77/678765677.db2.gz LJWFAFQEDSVSDP-LLVKDONJSA-N 1 1 307.314 -1.322 20 0 DAADMO COC1CC(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051673073 678765875 /nfs/dbraw/zinc/76/58/75/678765875.db2.gz LWZASPKFACSYHL-HTAVTVPLSA-N 1 1 324.385 -1.048 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001051663815 678765963 /nfs/dbraw/zinc/76/59/63/678765963.db2.gz HQECAHXSDNKKJR-JTQLQIEISA-N 1 1 324.385 -1.356 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)nn1 ZINC001051664553 678766053 /nfs/dbraw/zinc/76/60/53/678766053.db2.gz LXCNTMCDHUHUJS-LLVKDONJSA-N 1 1 324.385 -1.356 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051666990 678766187 /nfs/dbraw/zinc/76/61/87/678766187.db2.gz JQAYAMXSXZTVOD-VXGBXAGGSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)n1 ZINC001051696520 678766783 /nfs/dbraw/zinc/76/67/83/678766783.db2.gz SAZQYLRHQPKFBZ-JTQLQIEISA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001051696371 678766812 /nfs/dbraw/zinc/76/68/12/678766812.db2.gz PVUYKMXVCKESTO-VIFPVBQESA-N 1 1 306.330 -1.436 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1)c1nnnn1C ZINC001051698635 678766895 /nfs/dbraw/zinc/76/68/95/678766895.db2.gz XKBAVYLXLDWYGU-RKDXNWHRSA-N 1 1 321.345 -1.480 20 0 DAADMO O=C([C@@H]1CCC(=O)NC1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051692455 678766909 /nfs/dbraw/zinc/76/69/09/678766909.db2.gz JCFFIMQEOKYUCC-ZYHUDNBSSA-N 1 1 323.353 -1.087 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3cnco3)CCO2)nc1=O ZINC001051742997 678768268 /nfs/dbraw/zinc/76/82/68/678768268.db2.gz VGMRWLPZUWBBDJ-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cnco2)CCO1 ZINC001051742223 678768330 /nfs/dbraw/zinc/76/83/30/678768330.db2.gz GGZHYQFXGZNGCW-VIFPVBQESA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)n1 ZINC001051752108 678768597 /nfs/dbraw/zinc/76/85/97/678768597.db2.gz DEYQNIHFTZWBRZ-RYUDHWBXSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001051749129 678768681 /nfs/dbraw/zinc/76/86/81/678768681.db2.gz AXMMPOOYNFFZMZ-WDEREUQCSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001051749180 678768823 /nfs/dbraw/zinc/76/88/23/678768823.db2.gz BISZIURNLOUJMY-NSHDSACASA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001051749623 678768851 /nfs/dbraw/zinc/76/88/51/678768851.db2.gz HEVMCYMWYBJZEH-MNOVXSKESA-N 1 1 322.369 -1.178 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051752616 678769201 /nfs/dbraw/zinc/76/92/01/678769201.db2.gz MXKRDNXICQVCDW-NXEZZACHSA-N 1 1 323.357 -2.337 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051752328 678769212 /nfs/dbraw/zinc/76/92/12/678769212.db2.gz HYOYOHOKFGUOCJ-GHMZBOCLSA-N 1 1 309.326 -1.477 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001051765304 678769256 /nfs/dbraw/zinc/76/92/56/678769256.db2.gz YQSHRCKNRCSEGV-DCQANWLSSA-N 1 1 322.369 -1.581 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCO1 ZINC001051753068 678769424 /nfs/dbraw/zinc/76/94/24/678769424.db2.gz VUUCCDJFEXMCRY-WDEREUQCSA-N 1 1 322.369 -1.732 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753066 678769588 /nfs/dbraw/zinc/76/95/88/678769588.db2.gz VUUCCDJFEXMCRY-MNOVXSKESA-N 1 1 322.369 -1.732 20 0 DAADMO CN1C[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)NC1=O ZINC001051755849 678769639 /nfs/dbraw/zinc/76/96/39/678769639.db2.gz KZUFVXVSHNGWNV-MNOVXSKESA-N 1 1 324.341 -1.590 20 0 DAADMO CCc1nc(N2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cc(C)[nH+]1 ZINC001051765876 678770004 /nfs/dbraw/zinc/77/00/04/678770004.db2.gz DLPKIAJZFAHBLO-UWVGGRQHSA-N 1 1 307.354 -1.111 20 0 DAADMO CCc1cc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001051766106 678770075 /nfs/dbraw/zinc/77/00/75/678770075.db2.gz GROUPYXGDNVLBB-GHMZBOCLSA-N 1 1 307.354 -1.111 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001051774484 678771058 /nfs/dbraw/zinc/77/10/58/678771058.db2.gz YFIHWOKMKPISKX-SECBINFHSA-N 1 1 322.329 -1.468 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)n1 ZINC001051774163 678771151 /nfs/dbraw/zinc/77/11/51/678771151.db2.gz UMEAMVKZMRLZSW-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051791440 678771417 /nfs/dbraw/zinc/77/14/17/678771417.db2.gz AHCDCIXHZHMZFL-QWRGUYRKSA-N 1 1 309.326 -1.327 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051791612 678771464 /nfs/dbraw/zinc/77/14/64/678771464.db2.gz CSHMGDMZHSPDRI-NXEZZACHSA-N 1 1 323.357 -2.187 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nn1 ZINC001051792430 678771656 /nfs/dbraw/zinc/77/16/56/678771656.db2.gz LSCUGRDVWLSYCK-GHMZBOCLSA-N 1 1 323.357 -2.187 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791713 678771745 /nfs/dbraw/zinc/77/17/45/678771745.db2.gz DLPKKOASFFDFAV-BDAKNGLRSA-N 1 1 324.345 -2.792 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001051793004 678772016 /nfs/dbraw/zinc/77/20/16/678772016.db2.gz RMUOTESMUDIQKS-QWRGUYRKSA-N 1 1 320.353 -1.525 20 0 DAADMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)co1 ZINC001051792609 678772183 /nfs/dbraw/zinc/77/21/83/678772183.db2.gz NKRSXZJDSVJFHQ-NWDGAFQWSA-N 1 1 323.353 -1.019 20 0 DAADMO Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051793445 678772470 /nfs/dbraw/zinc/77/24/70/678772470.db2.gz AQCWPCDYBXCDBG-MRVPVSSYSA-N 1 1 315.761 -1.124 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)no1 ZINC001051793273 678772500 /nfs/dbraw/zinc/77/25/00/678772500.db2.gz UJMWNOPCGXYFSJ-VXGBXAGGSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)C(N)=O)CCO1)c1nnnn1C1CC1 ZINC001051794260 678772784 /nfs/dbraw/zinc/77/27/84/678772784.db2.gz JANBAAJTIFQQHI-WPRPVWTQSA-N 1 1 323.357 -1.629 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1)c1nnnn1C1CC1 ZINC001051794257 678772885 /nfs/dbraw/zinc/77/28/85/678772885.db2.gz JANBAAJTIFQQHI-PSASIEDQSA-N 1 1 323.357 -1.629 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794312 678773029 /nfs/dbraw/zinc/77/30/29/678773029.db2.gz JZZGNCVDOWBTNY-SNVBAGLBSA-N 1 1 322.369 -1.505 20 0 DAADMO Cn1cc(Cl)c(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794219 678773055 /nfs/dbraw/zinc/77/30/55/678773055.db2.gz IIBJNKUAOIQCMV-MRVPVSSYSA-N 1 1 315.761 -1.124 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794618 678773085 /nfs/dbraw/zinc/77/30/85/678773085.db2.gz PVSIAEXMLNKQHV-BDAKNGLRSA-N 1 1 310.358 -1.270 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794880 678773801 /nfs/dbraw/zinc/77/38/01/678773801.db2.gz VUFVMXXMNAUJAU-VIFPVBQESA-N 1 1 310.358 -1.270 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1C1CC1 ZINC001051796465 678773872 /nfs/dbraw/zinc/77/38/72/678773872.db2.gz RMBLFBOLYDCNOL-NSHDSACASA-N 1 1 322.369 -1.276 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001051813005 678774248 /nfs/dbraw/zinc/77/42/48/678774248.db2.gz MGZMDTKKMSFXIP-QMMMGPOBSA-N 1 1 324.320 -1.297 20 0 DAADMO C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnon3)C2)CCNC1=O ZINC001051822881 678774392 /nfs/dbraw/zinc/77/43/92/678774392.db2.gz RHJSDZWERJYFKW-SMDDNHRTSA-N 1 1 323.353 -1.087 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001051799930 678774466 /nfs/dbraw/zinc/77/44/66/678774466.db2.gz XZTBQFSRHSOGEL-JTQLQIEISA-N 1 1 323.353 -1.039 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051833460 678774970 /nfs/dbraw/zinc/77/49/70/678774970.db2.gz ZFGBFTYLVSJRPR-RYUDHWBXSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051833460 678774971 /nfs/dbraw/zinc/77/49/71/678774971.db2.gz ZFGBFTYLVSJRPR-RYUDHWBXSA-N 1 1 322.369 -1.557 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826334 678775027 /nfs/dbraw/zinc/77/50/27/678775027.db2.gz BJFPNXNHCPEWBF-AXFHLTTASA-N 1 1 323.353 -1.184 20 0 DAADMO O=C(CCc1c[nH]nn1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051833458 678775258 /nfs/dbraw/zinc/77/52/58/678775258.db2.gz ZFGBFTYLVSJRPR-NEPJUHHUSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCc1cnn[nH]1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051833458 678775260 /nfs/dbraw/zinc/77/52/60/678775260.db2.gz ZFGBFTYLVSJRPR-NEPJUHHUSA-N 1 1 322.369 -1.557 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051828026 678775303 /nfs/dbraw/zinc/77/53/03/678775303.db2.gz WMWBTODQZRPYFN-AXFHLTTASA-N 1 1 322.369 -1.747 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051828027 678775335 /nfs/dbraw/zinc/77/53/35/678775335.db2.gz WMWBTODQZRPYFN-MXWKQRLJSA-N 1 1 322.369 -1.747 20 0 DAADMO Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051861592 678775957 /nfs/dbraw/zinc/77/59/57/678775957.db2.gz JOLUJMSQLPSZKA-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051861593 678776008 /nfs/dbraw/zinc/77/60/08/678776008.db2.gz JOLUJMSQLPSZKA-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051867641 678776794 /nfs/dbraw/zinc/77/67/94/678776794.db2.gz MQSRDWSXFIMSDV-SECBINFHSA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3nc[nH]n3)CCO2)n1 ZINC001051872546 678776893 /nfs/dbraw/zinc/77/68/93/678776893.db2.gz LFZJYGNQSLNFKT-SNVBAGLBSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001051880028 678777543 /nfs/dbraw/zinc/77/75/43/678777543.db2.gz SKZDQGBHEFKUAU-JTQLQIEISA-N 1 1 318.341 -1.369 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1)c1nnnn1C ZINC001051876290 678777647 /nfs/dbraw/zinc/77/76/47/678777647.db2.gz KTSSHYVNEDEQKO-IUCAKERBSA-N 1 1 322.329 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)CCO1 ZINC001051884191 678777956 /nfs/dbraw/zinc/77/79/56/678777956.db2.gz JQWUPOGPVUBSPP-BXUZGUMPSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)Cc3nnc[nH]3)CCO2)nn1 ZINC001051897277 678778048 /nfs/dbraw/zinc/77/80/48/678778048.db2.gz XKGSFSUWAPLRFQ-NSHDSACASA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897446 678778081 /nfs/dbraw/zinc/77/80/81/678778081.db2.gz YYSZKAAJEJVUNY-VIFPVBQESA-N 1 1 321.345 -2.112 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001051897362 678778324 /nfs/dbraw/zinc/77/83/24/678778324.db2.gz XQYPQBOQDOSONF-JTQLQIEISA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001051907884 678778647 /nfs/dbraw/zinc/77/86/47/678778647.db2.gz CFRBJCZXZFVVOG-QWRGUYRKSA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924374 678779380 /nfs/dbraw/zinc/77/93/80/678779380.db2.gz LUAPPTWXGGOVKQ-LLVKDONJSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001051924453 678779519 /nfs/dbraw/zinc/77/95/19/678779519.db2.gz NPLXQACCWJGENC-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO Cn1nnnc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051930242 678780214 /nfs/dbraw/zinc/78/02/14/678780214.db2.gz KIDOWLSWTHLZDC-VXGBXAGGSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001051948225 678781321 /nfs/dbraw/zinc/78/13/21/678781321.db2.gz JNKQSHUPKJJSID-LLVKDONJSA-N 1 1 320.357 -1.576 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]([NH+]2CCN(CCF)CC2)C1 ZINC001051977783 678782175 /nfs/dbraw/zinc/78/21/75/678782175.db2.gz FZTLVNYGWFEHEB-LBPRGKRZSA-N 1 1 311.365 -1.139 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(CC(N)=O)CC2)C1 ZINC001051996763 678782850 /nfs/dbraw/zinc/78/28/50/678782850.db2.gz TXNFGBWRQFNVSB-KGLIPLIRSA-N 1 1 323.441 -1.216 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001052074094 678785408 /nfs/dbraw/zinc/78/54/08/678785408.db2.gz UDBQBGYAHOTPTG-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](CCn3cccn3)CC2)C1 ZINC001052074093 678785426 /nfs/dbraw/zinc/78/54/26/678785426.db2.gz UDBQBGYAHOTPTG-CYBMUJFWSA-N 1 1 320.397 -1.413 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC(N)=O)CC3)C2)C1 ZINC001052116967 678786408 /nfs/dbraw/zinc/78/64/08/678786408.db2.gz CHISSVMQWSKQPQ-KGLIPLIRSA-N 1 1 323.441 -1.358 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001052183647 678787203 /nfs/dbraw/zinc/78/72/03/678787203.db2.gz GREGPGFWFNNZLQ-QWRGUYRKSA-N 1 1 307.358 -1.468 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052184806 678787347 /nfs/dbraw/zinc/78/73/47/678787347.db2.gz RKCAOKDPEQCZTG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)C1=O ZINC001052188231 678787464 /nfs/dbraw/zinc/78/74/64/678787464.db2.gz REGCJVSNRGTDAX-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052186700 678787578 /nfs/dbraw/zinc/78/75/78/678787578.db2.gz JRHUMZQYJAXMHJ-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)CC2)C1=O ZINC001052382165 678789742 /nfs/dbraw/zinc/78/97/42/678789742.db2.gz GHSFNPJFDWANHV-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052381947 678789763 /nfs/dbraw/zinc/78/97/63/678789763.db2.gz ASBGPDJYXFMNRR-LBPRGKRZSA-N 1 1 319.373 -1.065 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001052378732 678790187 /nfs/dbraw/zinc/79/01/87/678790187.db2.gz KLQZNNHJNLABSX-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001052378731 678790237 /nfs/dbraw/zinc/79/02/37/678790237.db2.gz KLQZNNHJNLABSX-RYUDHWBXSA-N 1 1 321.385 -1.078 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052380492 678790254 /nfs/dbraw/zinc/79/02/54/678790254.db2.gz YZRMAQNSGVSQEB-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001052425324 678790747 /nfs/dbraw/zinc/79/07/47/678790747.db2.gz YJZGLNDYAUVDDY-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001052425330 678790765 /nfs/dbraw/zinc/79/07/65/678790765.db2.gz YJZGLNDYAUVDDY-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001052455059 678791114 /nfs/dbraw/zinc/79/11/14/678791114.db2.gz NSOQDMORRKNSLG-BDAKNGLRSA-N 1 1 311.342 -1.960 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052506387 678791756 /nfs/dbraw/zinc/79/17/56/678791756.db2.gz CQRPORJVASPDFK-MNOVXSKESA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052507671 678791957 /nfs/dbraw/zinc/79/19/57/678791957.db2.gz WPZVMEGFADXYEY-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052536902 678792444 /nfs/dbraw/zinc/79/24/44/678792444.db2.gz IWQOZSVCUXFAFK-LLVKDONJSA-N 1 1 310.354 -1.088 20 0 DAADMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001052581897 678792740 /nfs/dbraw/zinc/79/27/40/678792740.db2.gz BLLUDRICGGRPFB-MNOVXSKESA-N 1 1 317.411 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052632694 678792870 /nfs/dbraw/zinc/79/28/70/678792870.db2.gz ISCREXTZCKXCHK-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622072 678793131 /nfs/dbraw/zinc/79/31/31/678793131.db2.gz NFRXOTIULVTXLJ-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)c1=O ZINC001052616944 678793229 /nfs/dbraw/zinc/79/32/29/678793229.db2.gz HEKCIYPYGSLHBI-VIFPVBQESA-N 1 1 323.353 -1.445 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]c2)C1 ZINC001057842043 678794991 /nfs/dbraw/zinc/79/49/91/678794991.db2.gz JCSHAUQNDYQXJW-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]c2)C1 ZINC001057842043 678794993 /nfs/dbraw/zinc/79/49/93/678794993.db2.gz JCSHAUQNDYQXJW-ZDUSSCGKSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]c2)C1 ZINC001057842042 678795147 /nfs/dbraw/zinc/79/51/47/678795147.db2.gz JCSHAUQNDYQXJW-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)c2cc[nH]c2)C1 ZINC001057842042 678795150 /nfs/dbraw/zinc/79/51/50/678795150.db2.gz JCSHAUQNDYQXJW-CYBMUJFWSA-N 1 1 324.381 -1.104 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001057863567 678796557 /nfs/dbraw/zinc/79/65/57/678796557.db2.gz WWUAFEYILPJLHW-UHFFFAOYSA-N 1 1 313.358 -1.040 20 0 DAADMO CC(=O)NCCN(CCO)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001057874878 678796997 /nfs/dbraw/zinc/79/69/97/678796997.db2.gz DHNALJDSXBNKCF-CYBMUJFWSA-N 1 1 311.386 -1.230 20 0 DAADMO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)CCC1 ZINC001057875307 678797382 /nfs/dbraw/zinc/79/73/82/678797382.db2.gz QBPWDVOHZWAPCA-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CCC1 ZINC001057875307 678797385 /nfs/dbraw/zinc/79/73/85/678797385.db2.gz QBPWDVOHZWAPCA-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[C@H](C(=O)N(CCO)CCNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001057974971 678800351 /nfs/dbraw/zinc/80/03/51/678800351.db2.gz BDZDQRBCEQPPAR-LLVKDONJSA-N 1 1 312.374 -1.304 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001057972266 678800457 /nfs/dbraw/zinc/80/04/57/678800457.db2.gz VKOOCVHYGCMWOD-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001057972266 678800460 /nfs/dbraw/zinc/80/04/60/678800460.db2.gz VKOOCVHYGCMWOD-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[C@H](C(=O)N(CCO)CCNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001057975359 678800724 /nfs/dbraw/zinc/80/07/24/678800724.db2.gz PLFPEMNAALSVCK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[C@H](C(=O)N(CCO)CCNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001057975359 678800728 /nfs/dbraw/zinc/80/07/28/678800728.db2.gz PLFPEMNAALSVCK-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)c2cnn[nH]2)CC1 ZINC001057994484 678801270 /nfs/dbraw/zinc/80/12/70/678801270.db2.gz ZJGBNTLKDDKXRO-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO Cn1cncc1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058030813 678802715 /nfs/dbraw/zinc/80/27/15/678802715.db2.gz PQSNPLYQLNPJBC-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058038891 678803359 /nfs/dbraw/zinc/80/33/59/678803359.db2.gz JNPBFMFGZWSNMJ-GFCCVEGCSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058038891 678803363 /nfs/dbraw/zinc/80/33/63/678803363.db2.gz JNPBFMFGZWSNMJ-GFCCVEGCSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058038891 678803371 /nfs/dbraw/zinc/80/33/71/678803371.db2.gz JNPBFMFGZWSNMJ-GFCCVEGCSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058059339 678805462 /nfs/dbraw/zinc/80/54/62/678805462.db2.gz ZCVWCXQFQLLISH-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058059025 678805597 /nfs/dbraw/zinc/80/55/97/678805597.db2.gz MELGHVLRTDIUIK-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058059287 678805724 /nfs/dbraw/zinc/80/57/24/678805724.db2.gz XPCBOPPPTIXMJQ-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001058158004 678809494 /nfs/dbraw/zinc/80/94/94/678809494.db2.gz MXSDJSBBXPGROE-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058158004 678809498 /nfs/dbraw/zinc/80/94/98/678809498.db2.gz MXSDJSBBXPGROE-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058158004 678809506 /nfs/dbraw/zinc/80/95/06/678809506.db2.gz MXSDJSBBXPGROE-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058158004 678809512 /nfs/dbraw/zinc/80/95/12/678809512.db2.gz MXSDJSBBXPGROE-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058158004 678809519 /nfs/dbraw/zinc/80/95/19/678809519.db2.gz MXSDJSBBXPGROE-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1nnc[nH]1 ZINC001058254053 678811867 /nfs/dbraw/zinc/81/18/67/678811867.db2.gz SKBMFYPBYOBXEB-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058254053 678811869 /nfs/dbraw/zinc/81/18/69/678811869.db2.gz SKBMFYPBYOBXEB-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1 ZINC001058254053 678811872 /nfs/dbraw/zinc/81/18/72/678811872.db2.gz SKBMFYPBYOBXEB-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058254053 678811876 /nfs/dbraw/zinc/81/18/76/678811876.db2.gz SKBMFYPBYOBXEB-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1 ZINC001058254053 678811878 /nfs/dbraw/zinc/81/18/78/678811878.db2.gz SKBMFYPBYOBXEB-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058252276 678811890 /nfs/dbraw/zinc/81/18/90/678811890.db2.gz CDYSMOBKYVOODU-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CNC(C)=O ZINC001058254122 678811906 /nfs/dbraw/zinc/81/19/06/678811906.db2.gz VWVGKMHUZAILIH-UHFFFAOYSA-N 1 1 316.402 -1.599 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001058254190 678812012 /nfs/dbraw/zinc/81/20/12/678812012.db2.gz YGGZRXHJVMNWKH-UHFFFAOYSA-N 1 1 313.358 -1.038 20 0 DAADMO NC(=O)C(=O)NCCN(CCO)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001058266215 678812655 /nfs/dbraw/zinc/81/26/55/678812655.db2.gz INQKBCLRBAJFDZ-AWEZNQCLSA-N 1 1 312.370 -2.105 20 0 DAADMO Cc1n[nH]nc1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058274715 678812667 /nfs/dbraw/zinc/81/26/67/678812667.db2.gz ARQTXALJHKTIIA-LLVKDONJSA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058274715 678812670 /nfs/dbraw/zinc/81/26/70/678812670.db2.gz ARQTXALJHKTIIA-LLVKDONJSA-N 1 1 324.385 -1.242 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058278283 678813394 /nfs/dbraw/zinc/81/33/94/678813394.db2.gz IMGJBRJSSAVRHP-UHFFFAOYSA-N 1 1 312.374 -1.384 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382606 678818621 /nfs/dbraw/zinc/81/86/21/678818621.db2.gz QBSOSWITCUURSD-QWRGUYRKSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)c2nc[nH]n2)C1 ZINC001058382738 678818669 /nfs/dbraw/zinc/81/86/69/678818669.db2.gz SWAMUNFMCCQJFS-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058382607 678818731 /nfs/dbraw/zinc/81/87/31/678818731.db2.gz QBSOSWITCUURSD-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO CN(CCCN(C)C(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001067794310 678825452 /nfs/dbraw/zinc/82/54/52/678825452.db2.gz OMHYBIOGFRTXRG-UHFFFAOYSA-N 1 1 314.386 -1.499 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)c1=O ZINC000384704841 678826261 /nfs/dbraw/zinc/82/62/61/678826261.db2.gz LBUATLNQKALENL-LLVKDONJSA-N 1 1 310.354 -1.880 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068447812 678829298 /nfs/dbraw/zinc/82/92/98/678829298.db2.gz WKEXELBGTVAANI-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001068448496 678829854 /nfs/dbraw/zinc/82/98/54/678829854.db2.gz LACHSZSNIXAXSY-UHFFFAOYSA-N 1 1 312.370 -1.748 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068778436 678836530 /nfs/dbraw/zinc/83/65/30/678836530.db2.gz FXMVXFGUTNZTRD-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CC(N)=O)CO2 ZINC001068778438 678836577 /nfs/dbraw/zinc/83/65/77/678836577.db2.gz FXMVXFGUTNZTRD-WDEREUQCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[C@H](NC(=O)CC(N)=O)CO3)C1 ZINC001068783405 678837576 /nfs/dbraw/zinc/83/75/76/678837576.db2.gz CVEUHIDBDQJEBV-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894975 678845036 /nfs/dbraw/zinc/84/50/36/678845036.db2.gz UVIHVDYRFHDUBR-AXFHLTTASA-N 1 1 321.345 -2.313 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069894736 678845158 /nfs/dbraw/zinc/84/51/58/678845158.db2.gz JNYQYIVZQCOUPF-MNOVXSKESA-N 1 1 321.345 -2.311 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)c1 ZINC001069900533 678845720 /nfs/dbraw/zinc/84/57/20/678845720.db2.gz JFWQRQGFCLBSGF-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)c1 ZINC001069900533 678845724 /nfs/dbraw/zinc/84/57/24/678845724.db2.gz JFWQRQGFCLBSGF-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069903489 678846014 /nfs/dbraw/zinc/84/60/14/678846014.db2.gz ZXCWKDREQOLRDE-UTUOFQBUSA-N 1 1 322.369 -1.455 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069903489 678846017 /nfs/dbraw/zinc/84/60/17/678846017.db2.gz ZXCWKDREQOLRDE-UTUOFQBUSA-N 1 1 322.369 -1.455 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)nn1C ZINC001069900336 678846044 /nfs/dbraw/zinc/84/60/44/678846044.db2.gz AFGSCZIURLNZGK-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)nn1C ZINC001069900336 678846046 /nfs/dbraw/zinc/84/60/46/678846046.db2.gz AFGSCZIURLNZGK-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902733 678846131 /nfs/dbraw/zinc/84/61/31/678846131.db2.gz LWIOUAKZUORZMD-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902733 678846134 /nfs/dbraw/zinc/84/61/34/678846134.db2.gz LWIOUAKZUORZMD-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069919451 678846534 /nfs/dbraw/zinc/84/65/34/678846534.db2.gz PHUBTNKNRZUVOE-UMNHJUIQSA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069919451 678846537 /nfs/dbraw/zinc/84/65/37/678846537.db2.gz PHUBTNKNRZUVOE-UMNHJUIQSA-N 1 1 320.357 -1.557 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001069918400 678846593 /nfs/dbraw/zinc/84/65/93/678846593.db2.gz OVQODYMZVMZHFH-MNOVXSKESA-N 1 1 320.357 -1.556 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001069918400 678846595 /nfs/dbraw/zinc/84/65/95/678846595.db2.gz OVQODYMZVMZHFH-MNOVXSKESA-N 1 1 320.357 -1.556 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2nccn2)[C@@H](n2ccnn2)C1 ZINC001069938709 678847634 /nfs/dbraw/zinc/84/76/34/678847634.db2.gz BSWPLMBPIMDDKO-UTUOFQBUSA-N 1 1 320.357 -1.708 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCCNC1=O ZINC001069951338 678847986 /nfs/dbraw/zinc/84/79/86/678847986.db2.gz IVQCSNMPCONXBD-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCCNC1=O ZINC001069951338 678847990 /nfs/dbraw/zinc/84/79/90/678847990.db2.gz IVQCSNMPCONXBD-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC(=O)NC1 ZINC001069966128 678848619 /nfs/dbraw/zinc/84/86/19/678848619.db2.gz WSBCHPLSQAQQRA-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC(=O)NC1 ZINC001069966128 678848622 /nfs/dbraw/zinc/84/86/22/678848622.db2.gz WSBCHPLSQAQQRA-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001069964367 678848883 /nfs/dbraw/zinc/84/88/83/678848883.db2.gz JTJPMCKFCSRLMH-MNOVXSKESA-N 1 1 320.357 -1.765 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)C1=O ZINC001069999488 678849513 /nfs/dbraw/zinc/84/95/13/678849513.db2.gz HWOPWMQYECGGIH-TUAOUCFPSA-N 1 1 322.369 -1.910 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)C1=O ZINC001069999488 678849516 /nfs/dbraw/zinc/84/95/16/678849516.db2.gz HWOPWMQYECGGIH-TUAOUCFPSA-N 1 1 322.369 -1.910 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070011580 678850516 /nfs/dbraw/zinc/85/05/16/678850516.db2.gz KXQJDEYVVAMAHM-MXWKQRLJSA-N 1 1 323.357 -2.053 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070011580 678850517 /nfs/dbraw/zinc/85/05/17/678850517.db2.gz KXQJDEYVVAMAHM-MXWKQRLJSA-N 1 1 323.357 -2.053 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001070002965 678850533 /nfs/dbraw/zinc/85/05/33/678850533.db2.gz DCPCFKIZABCVQX-FHUSYTEZSA-N 1 1 307.354 -1.496 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001070002965 678850536 /nfs/dbraw/zinc/85/05/36/678850536.db2.gz DCPCFKIZABCVQX-FHUSYTEZSA-N 1 1 307.354 -1.496 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012669 678850541 /nfs/dbraw/zinc/85/05/41/678850541.db2.gz IDBOXYIOISLURB-TUAOUCFPSA-N 1 1 321.385 -1.043 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070014073 678851282 /nfs/dbraw/zinc/85/12/82/678851282.db2.gz VEXPIVXJVOWQIP-MXWKQRLJSA-N 1 1 308.342 -1.859 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001070014004 678851380 /nfs/dbraw/zinc/85/13/80/678851380.db2.gz QYQFHGBSCZOUFO-UTUOFQBUSA-N 1 1 322.369 -1.469 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070041814 678851570 /nfs/dbraw/zinc/85/15/70/678851570.db2.gz PCQNJSMEBWMBNO-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070029046 678851643 /nfs/dbraw/zinc/85/16/43/678851643.db2.gz RSIBPYMDLOIPNQ-MCIONIFRSA-N 1 1 322.413 -1.046 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070027229 678851759 /nfs/dbraw/zinc/85/17/59/678851759.db2.gz SZLGKHAFXKJLAG-NOOOWODRSA-N 1 1 322.369 -1.328 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070040882 678851798 /nfs/dbraw/zinc/85/17/98/678851798.db2.gz KBDHDKYLOBTZFQ-AEJSXWLSSA-N 1 1 321.341 -1.762 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070027571 678851848 /nfs/dbraw/zinc/85/18/48/678851848.db2.gz NPWFGKULRXAYCB-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070027571 678851850 /nfs/dbraw/zinc/85/18/50/678851850.db2.gz NPWFGKULRXAYCB-OLZOCXBDSA-N 1 1 319.369 -1.183 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070027053 678851909 /nfs/dbraw/zinc/85/19/09/678851909.db2.gz PFMUSUMMFSPQDA-YTWAJWBKSA-N 1 1 308.342 -2.267 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070027053 678851914 /nfs/dbraw/zinc/85/19/14/678851914.db2.gz PFMUSUMMFSPQDA-YTWAJWBKSA-N 1 1 308.342 -2.267 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052628 678852579 /nfs/dbraw/zinc/85/25/79/678852579.db2.gz BZRHRCJXKDMXQN-WCQGTBRESA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052628 678852582 /nfs/dbraw/zinc/85/25/82/678852582.db2.gz BZRHRCJXKDMXQN-WCQGTBRESA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001070072100 678852928 /nfs/dbraw/zinc/85/29/28/678852928.db2.gz BKNSQSCKOCMJOI-MXWKQRLJSA-N 1 1 320.357 -1.639 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070089885 678853537 /nfs/dbraw/zinc/85/35/37/678853537.db2.gz DCZLITGAGNWIPR-TUAOUCFPSA-N 1 1 320.357 -1.708 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC(=O)N1 ZINC001070079754 678853910 /nfs/dbraw/zinc/85/39/10/678853910.db2.gz RPJLYOJDJCRTKO-AXFHLTTASA-N 1 1 308.342 -2.110 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCC(=O)N1 ZINC001070079754 678853914 /nfs/dbraw/zinc/85/39/14/678853914.db2.gz RPJLYOJDJCRTKO-AXFHLTTASA-N 1 1 308.342 -2.110 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070076346 678853992 /nfs/dbraw/zinc/85/39/92/678853992.db2.gz MDZZQPWCDOLWRU-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070076346 678853994 /nfs/dbraw/zinc/85/39/94/678853994.db2.gz MDZZQPWCDOLWRU-OLZOCXBDSA-N 1 1 319.369 -1.412 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001070105123 678854329 /nfs/dbraw/zinc/85/43/29/678854329.db2.gz KZHFIJUBYQKPLT-MNOVXSKESA-N 1 1 319.369 -1.010 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001070111277 678854808 /nfs/dbraw/zinc/85/48/08/678854808.db2.gz BGQUVPFHNABMKE-MXWKQRLJSA-N 1 1 320.353 -1.308 20 0 DAADMO CS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070153569 678857026 /nfs/dbraw/zinc/85/70/26/678857026.db2.gz ZCOLJIXTFWDIGB-ZJUUUORDSA-N 1 1 319.362 -1.366 20 0 DAADMO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070164901 678857696 /nfs/dbraw/zinc/85/76/96/678857696.db2.gz QWNHCLQZKGSMCF-UHTWSYAYSA-N 1 1 319.369 -1.034 20 0 DAADMO O=C(Cc1ccn[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070164589 678857717 /nfs/dbraw/zinc/85/77/17/678857717.db2.gz HKUQCIVJMRNGRT-NEPJUHHUSA-N 1 1 305.342 -1.422 20 0 DAADMO O=C(CCc1nc[nH]n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070170927 678857917 /nfs/dbraw/zinc/85/79/17/678857917.db2.gz WWCLIBODSVQCDC-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)C(N)=O)CCOCC1 ZINC001070183787 678858103 /nfs/dbraw/zinc/85/81/03/678858103.db2.gz VSNYMIZPISNZIY-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)C(N)=O)CCOCC1 ZINC001070227824 678860852 /nfs/dbraw/zinc/86/08/52/678860852.db2.gz UCYXMWISTYPDBX-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001070247867 678861923 /nfs/dbraw/zinc/86/19/23/678861923.db2.gz IAYSGEHFRPZJNT-IEBDPFPHSA-N 1 1 320.357 -1.259 20 0 DAADMO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)C1=O ZINC001070264207 678863016 /nfs/dbraw/zinc/86/30/16/678863016.db2.gz CBYVVYBSLIWXID-BBBLOLIVSA-N 1 1 321.341 -2.664 20 0 DAADMO CN1CC(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)=NC1=O ZINC001070267439 678863075 /nfs/dbraw/zinc/86/30/75/678863075.db2.gz CWDBYYOUNQGMBV-KOLCDFICSA-N 1 1 321.341 -1.635 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)cn1 ZINC001070262649 678863141 /nfs/dbraw/zinc/86/31/41/678863141.db2.gz CWOZBEITQUHALM-MNOVXSKESA-N 1 1 318.341 -1.961 20 0 DAADMO Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070264482 678863247 /nfs/dbraw/zinc/86/32/47/678863247.db2.gz PGCXIMQCQXNHKO-MNOVXSKESA-N 1 1 319.325 -1.398 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070264437 678863272 /nfs/dbraw/zinc/86/32/72/678863272.db2.gz NJHJWKZDVTYAIH-YIZRAAEISA-N 1 1 307.314 -3.007 20 0 DAADMO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070262811 678863307 /nfs/dbraw/zinc/86/33/07/678863307.db2.gz MHRDTUWKSZMLOV-MNOVXSKESA-N 1 1 318.341 -1.961 20 0 DAADMO O=C(NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001070422887 678866664 /nfs/dbraw/zinc/86/66/64/678866664.db2.gz KWMJHTUWFIIJLC-KOLCDFICSA-N 1 1 322.369 -1.511 20 0 DAADMO Cc1nnc([C@H]2CN(C(=O)C(N)=O)CC23C[NH+](CCO)C3)[nH]1 ZINC001070449557 678867712 /nfs/dbraw/zinc/86/77/12/678867712.db2.gz SYKVOGLSCQLTKO-SECBINFHSA-N 1 1 308.342 -2.181 20 0 DAADMO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)C(N)=O)n2)[N@@H+](CCO)C1 ZINC001070605106 678870298 /nfs/dbraw/zinc/87/02/98/678870298.db2.gz AYBIKBUUAVTWKR-VHSXEESVSA-N 1 1 311.342 -1.612 20 0 DAADMO Cn1cncc1[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001070624967 678870378 /nfs/dbraw/zinc/87/03/78/678870378.db2.gz RNWPNPTWMNSXQI-MWLCHTKSSA-N 1 1 317.353 -1.174 20 0 DAADMO CC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001070928367 678875989 /nfs/dbraw/zinc/87/59/89/678875989.db2.gz XHHYTGQMDGYLLU-CQSZACIVSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001070928367 678875991 /nfs/dbraw/zinc/87/59/91/678875991.db2.gz XHHYTGQMDGYLLU-CQSZACIVSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001070938463 678876420 /nfs/dbraw/zinc/87/64/20/678876420.db2.gz UVDYBKAAUAWLCL-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO O=C(Cn1cccn1)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001070939583 678876456 /nfs/dbraw/zinc/87/64/56/678876456.db2.gz RRDOCLYZGQOTIZ-UHFFFAOYSA-N 1 1 323.397 -1.084 20 0 DAADMO O=C(Cn1cccn1)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001070939583 678876457 /nfs/dbraw/zinc/87/64/57/678876457.db2.gz RRDOCLYZGQOTIZ-UHFFFAOYSA-N 1 1 323.397 -1.084 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCCN(CCO)CC1 ZINC001070947412 678877072 /nfs/dbraw/zinc/87/70/72/678877072.db2.gz VPSBDLDSFVJHHF-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001070949665 678877391 /nfs/dbraw/zinc/87/73/91/678877391.db2.gz QIIXQVGOKUGYOU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001070949665 678877395 /nfs/dbraw/zinc/87/73/95/678877395.db2.gz QIIXQVGOKUGYOU-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001070964562 678878782 /nfs/dbraw/zinc/87/87/82/678878782.db2.gz PIWNQJSTZBNTFH-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001070964562 678878787 /nfs/dbraw/zinc/87/87/87/678878787.db2.gz PIWNQJSTZBNTFH-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO Cn1nnc(C(=O)N2CCC(=O)NCC[N@@H+](CC3CC3)CC2)n1 ZINC001070987191 678879735 /nfs/dbraw/zinc/87/97/35/678879735.db2.gz VBUSRSDETZSQKI-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1nnc(C(=O)N2CCC(=O)NCC[N@H+](CC3CC3)CC2)n1 ZINC001070987191 678879738 /nfs/dbraw/zinc/87/97/38/678879738.db2.gz VBUSRSDETZSQKI-UHFFFAOYSA-N 1 1 321.385 -1.116 20 0 DAADMO CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001070993592 678880465 /nfs/dbraw/zinc/88/04/65/678880465.db2.gz HXOOHNISUSBHMH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001070993592 678880469 /nfs/dbraw/zinc/88/04/69/678880469.db2.gz HXOOHNISUSBHMH-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001071025773 678882062 /nfs/dbraw/zinc/88/20/62/678882062.db2.gz WPHZIQAPSAEIFK-LLVKDONJSA-N 1 1 324.381 -1.290 20 0 DAADMO CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001071025773 678882064 /nfs/dbraw/zinc/88/20/64/678882064.db2.gz WPHZIQAPSAEIFK-LLVKDONJSA-N 1 1 324.381 -1.290 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001071146890 678883897 /nfs/dbraw/zinc/88/38/97/678883897.db2.gz LYJJHEANVCNPMM-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001071146890 678883902 /nfs/dbraw/zinc/88/39/02/678883902.db2.gz LYJJHEANVCNPMM-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071134390 678884011 /nfs/dbraw/zinc/88/40/11/678884011.db2.gz QVNDFBHGXGGPOY-TZMCWYRMSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071169107 678884140 /nfs/dbraw/zinc/88/41/40/678884140.db2.gz MGVGQQWJPTWAJR-JSGCOSHPSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071174171 678884504 /nfs/dbraw/zinc/88/45/04/678884504.db2.gz UPJMRTFVDBEPPF-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nccn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071174174 678884516 /nfs/dbraw/zinc/88/45/16/678884516.db2.gz UPJMRTFVDBEPPF-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H]1CN(C(=O)Cn2nccn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071174172 678884758 /nfs/dbraw/zinc/88/47/58/678884758.db2.gz UPJMRTFVDBEPPF-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071199339 678884765 /nfs/dbraw/zinc/88/47/65/678884765.db2.gz KTIFEUIVQSXIFF-MFKMUULPSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071199338 678884811 /nfs/dbraw/zinc/88/48/11/678884811.db2.gz KTIFEUIVQSXIFF-GXFFZTMASA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206246 678885241 /nfs/dbraw/zinc/88/52/41/678885241.db2.gz GVCBHWLETMFJLD-NHYWBVRUSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206246 678885245 /nfs/dbraw/zinc/88/52/45/678885245.db2.gz GVCBHWLETMFJLD-NHYWBVRUSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206245 678885401 /nfs/dbraw/zinc/88/54/01/678885401.db2.gz GVCBHWLETMFJLD-IAQYHMDHSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)O1 ZINC001071206245 678885402 /nfs/dbraw/zinc/88/54/02/678885402.db2.gz GVCBHWLETMFJLD-IAQYHMDHSA-N 1 1 324.381 -1.604 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071222928 678886333 /nfs/dbraw/zinc/88/63/33/678886333.db2.gz HLKOSQYKAVGSDZ-OCCSQVGLSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cnnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071222926 678886663 /nfs/dbraw/zinc/88/66/63/678886663.db2.gz HLKOSQYKAVGSDZ-GXTWGEPZSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071340603 678887126 /nfs/dbraw/zinc/88/71/26/678887126.db2.gz QZXUBAMLZXJMHK-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N(C)C ZINC001071340603 678887129 /nfs/dbraw/zinc/88/71/29/678887129.db2.gz QZXUBAMLZXJMHK-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CCn1cncn1 ZINC001071339806 678887243 /nfs/dbraw/zinc/88/72/43/678887243.db2.gz FHMVVMMMWQAMJN-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N(C)C ZINC001071340601 678887406 /nfs/dbraw/zinc/88/74/06/678887406.db2.gz QZXUBAMLZXJMHK-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N(C)C ZINC001071340601 678887408 /nfs/dbraw/zinc/88/74/08/678887408.db2.gz QZXUBAMLZXJMHK-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071340789 678887940 /nfs/dbraw/zinc/88/79/40/678887940.db2.gz UHYIFDJRWJMRCQ-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071340789 678887943 /nfs/dbraw/zinc/88/79/43/678887943.db2.gz UHYIFDJRWJMRCQ-CMPLNLGQSA-N 1 1 321.385 -1.079 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001071444451 678888182 /nfs/dbraw/zinc/88/81/82/678888182.db2.gz PHCYXEHIPQTGCS-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001071444451 678888185 /nfs/dbraw/zinc/88/81/85/678888185.db2.gz PHCYXEHIPQTGCS-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001071444440 678888293 /nfs/dbraw/zinc/88/82/93/678888293.db2.gz PHCYXEHIPQTGCS-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001071444440 678888297 /nfs/dbraw/zinc/88/82/97/678888297.db2.gz PHCYXEHIPQTGCS-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071509176 678889773 /nfs/dbraw/zinc/88/97/73/678889773.db2.gz ZEKYOVXPYPBLBO-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071509176 678889775 /nfs/dbraw/zinc/88/97/75/678889775.db2.gz ZEKYOVXPYPBLBO-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCO ZINC001071518321 678890344 /nfs/dbraw/zinc/89/03/44/678890344.db2.gz ODCIEKJTJKBQNN-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CCn1cncn1 ZINC001071514796 678890382 /nfs/dbraw/zinc/89/03/82/678890382.db2.gz PEHMGAHVWRJFBV-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCCO ZINC001071519636 678891009 /nfs/dbraw/zinc/89/10/09/678891009.db2.gz ZAEJBPFVYURNML-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071555233 678891502 /nfs/dbraw/zinc/89/15/02/678891502.db2.gz AKMYTCUENSGLFI-RYUDHWBXSA-N 1 1 323.401 -1.024 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001071552916 678891702 /nfs/dbraw/zinc/89/17/02/678891702.db2.gz GNBQFFXEJVDMCG-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071555231 678891747 /nfs/dbraw/zinc/89/17/47/678891747.db2.gz AKMYTCUENSGLFI-NEPJUHHUSA-N 1 1 323.401 -1.024 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071565062 678892028 /nfs/dbraw/zinc/89/20/28/678892028.db2.gz DDMKZZGSAMXWLH-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071565065 678892138 /nfs/dbraw/zinc/89/21/38/678892138.db2.gz DDMKZZGSAMXWLH-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001071565060 678892286 /nfs/dbraw/zinc/89/22/86/678892286.db2.gz DDMKZZGSAMXWLH-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071581631 678894723 /nfs/dbraw/zinc/89/47/23/678894723.db2.gz LXRKRXCVCLVPSD-GXSJLCMTSA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071581634 678894741 /nfs/dbraw/zinc/89/47/41/678894741.db2.gz LXRKRXCVCLVPSD-ONGXEEELSA-N 1 1 322.369 -1.177 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CCCO ZINC001071625325 678895243 /nfs/dbraw/zinc/89/52/43/678895243.db2.gz NYCJWIWPHSIYFP-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CCCO ZINC001071625324 678895372 /nfs/dbraw/zinc/89/53/72/678895372.db2.gz NYCJWIWPHSIYFP-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001071626820 678895897 /nfs/dbraw/zinc/89/58/97/678895897.db2.gz ZFUVBLHERDPXOB-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001071626820 678895899 /nfs/dbraw/zinc/89/58/99/678895899.db2.gz ZFUVBLHERDPXOB-UWVGGRQHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCCNC2=O)C[N@@H+]1CC(N)=O ZINC001071642794 678895932 /nfs/dbraw/zinc/89/59/32/678895932.db2.gz XAEBYSLSRLTLNM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCCNC2=O)C[N@H+]1CC(N)=O ZINC001071642794 678895934 /nfs/dbraw/zinc/89/59/34/678895934.db2.gz XAEBYSLSRLTLNM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001071788767 678897684 /nfs/dbraw/zinc/89/76/84/678897684.db2.gz JYMOVDKQMPRLQY-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(N)=O)C[N@H+]1CCN1C(=O)CNC1=O ZINC001071788767 678897688 /nfs/dbraw/zinc/89/76/88/678897688.db2.gz JYMOVDKQMPRLQY-BDAKNGLRSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C[N@H+]1CCO ZINC001071862719 678900145 /nfs/dbraw/zinc/90/01/45/678900145.db2.gz YYCGNAQSDLXWLH-GHMZBOCLSA-N 1 1 324.381 -1.341 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894495 678900482 /nfs/dbraw/zinc/90/04/82/678900482.db2.gz ZMXOHZPYUNRGIZ-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894495 678900484 /nfs/dbraw/zinc/90/04/84/678900484.db2.gz ZMXOHZPYUNRGIZ-ONGXEEELSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894491 678900578 /nfs/dbraw/zinc/90/05/78/678900578.db2.gz ZMXOHZPYUNRGIZ-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894491 678900582 /nfs/dbraw/zinc/90/05/82/678900582.db2.gz ZMXOHZPYUNRGIZ-GXSJLCMTSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C[N@H+]1CCO ZINC001071972603 678902380 /nfs/dbraw/zinc/90/23/80/678902380.db2.gz XWRPHOUJBWRORD-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCO)C2)c(=O)n1C ZINC001072033146 678904498 /nfs/dbraw/zinc/90/44/98/678904498.db2.gz KIIQLPIRKOWTPI-ZYHUDNBSSA-N 1 1 311.386 -1.148 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ccn[nH]2)CCCO1 ZINC001200174195 782192089 /nfs/dbraw/zinc/19/20/89/782192089.db2.gz YGFLXFJZUADRTR-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCCO1)C(N)=O ZINC001200206847 782193500 /nfs/dbraw/zinc/19/35/00/782193500.db2.gz NOHFJGAXDHASGJ-QWRGUYRKSA-N 1 1 324.385 -1.182 20 0 DAADMO CN1CCN(c2ccc(N3CCNC(=O)C34C[NH2+]C4)nn2)CC1 ZINC001164412770 718878087 /nfs/dbraw/zinc/87/80/87/718878087.db2.gz YUJLWVSDKXOLDM-UHFFFAOYSA-N 1 1 317.397 -1.493 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001200263170 782195521 /nfs/dbraw/zinc/19/55/21/782195521.db2.gz VORSTRGIGDPWTA-QMMMGPOBSA-N 1 1 310.362 -1.653 20 0 DAADMO CNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001200352204 782196425 /nfs/dbraw/zinc/19/64/25/782196425.db2.gz RYWYUVWNHJRAEB-LLVKDONJSA-N 1 1 311.342 -1.087 20 0 DAADMO CN1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)CC1 ZINC001273836360 782199363 /nfs/dbraw/zinc/19/93/63/782199363.db2.gz RSXXLPKYJWSVBC-HNNXBMFYSA-N 1 1 310.398 -1.307 20 0 DAADMO CN1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)CC1 ZINC001273836360 782199368 /nfs/dbraw/zinc/19/93/68/782199368.db2.gz RSXXLPKYJWSVBC-HNNXBMFYSA-N 1 1 310.398 -1.307 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC([NH2+]Cc2nnn(C)n2)CC1 ZINC001201976092 782223996 /nfs/dbraw/zinc/22/39/96/782223996.db2.gz IKPYTMYZWPXQCR-SECBINFHSA-N 1 1 309.374 -1.198 20 0 DAADMO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1nnc2n1CCOC2 ZINC001273919290 782226086 /nfs/dbraw/zinc/22/60/86/782226086.db2.gz ONJUVEHRNAUYFH-UPHRSURJSA-N 1 1 308.342 -1.554 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001273910175 782222709 /nfs/dbraw/zinc/22/27/09/782222709.db2.gz FEIHSZOVQQBHHH-OAHLLOKOSA-N 1 1 321.381 -1.242 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115187762 782236272 /nfs/dbraw/zinc/23/62/72/782236272.db2.gz FGYFYONBOWBNOF-UXCLJVHYSA-N 1 1 305.400 -1.695 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001114371684 782244302 /nfs/dbraw/zinc/24/43/02/782244302.db2.gz IXMJVOCOSYBMOP-YABSGUDNSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001114371645 782244406 /nfs/dbraw/zinc/24/44/06/782244406.db2.gz IFSLTKPXORJPHU-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115220172 782238188 /nfs/dbraw/zinc/23/81/88/782238188.db2.gz DBKAMWFVRNUYDT-UXCLJVHYSA-N 1 1 311.386 -1.432 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115221417 782239108 /nfs/dbraw/zinc/23/91/08/782239108.db2.gz VQFIPNOVGOZQST-MIZYBKAJSA-N 1 1 309.370 -1.678 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001114320988 782239860 /nfs/dbraw/zinc/23/98/60/782239860.db2.gz DSNQKIYKYZYZSJ-NNYUYHANSA-N 1 1 318.395 -1.915 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CS(=O)(=O)C1 ZINC001114320988 782239869 /nfs/dbraw/zinc/23/98/69/782239869.db2.gz DSNQKIYKYZYZSJ-NNYUYHANSA-N 1 1 318.395 -1.915 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114318689 782239990 /nfs/dbraw/zinc/23/99/90/782239990.db2.gz DHFHXIBPWLQMSP-IWIIMEHWSA-N 1 1 306.322 -1.459 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114318689 782239998 /nfs/dbraw/zinc/23/99/98/782239998.db2.gz DHFHXIBPWLQMSP-IWIIMEHWSA-N 1 1 306.322 -1.459 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114397608 782244884 /nfs/dbraw/zinc/24/48/84/782244884.db2.gz PXCFTENKHWQTSM-NMKXLXIOSA-N 1 1 311.382 -1.432 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114317864 782240170 /nfs/dbraw/zinc/24/01/70/782240170.db2.gz ZYCOBQAVDWJQLU-NMKXLXIOSA-N 1 1 313.398 -1.044 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114367859 782241640 /nfs/dbraw/zinc/24/16/40/782241640.db2.gz AUTFRIUJTGKBNU-DNJQJEMRSA-N 1 1 312.370 -1.941 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114367859 782241649 /nfs/dbraw/zinc/24/16/49/782241649.db2.gz AUTFRIUJTGKBNU-DNJQJEMRSA-N 1 1 312.370 -1.941 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)COC ZINC001114366433 782241704 /nfs/dbraw/zinc/24/17/04/782241704.db2.gz RITIBRALCHXOLF-MSRIBSCDSA-N 1 1 312.370 -2.116 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)COC ZINC001114366433 782241716 /nfs/dbraw/zinc/24/17/16/782241716.db2.gz RITIBRALCHXOLF-MSRIBSCDSA-N 1 1 312.370 -2.116 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114363965 782241769 /nfs/dbraw/zinc/24/17/69/782241769.db2.gz NMIIBTBNEQEAQI-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114363965 782241773 /nfs/dbraw/zinc/24/17/73/782241773.db2.gz NMIIBTBNEQEAQI-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001114363396 782241824 /nfs/dbraw/zinc/24/18/24/782241824.db2.gz CMJCJBBURFWXBG-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001114363396 782241830 /nfs/dbraw/zinc/24/18/30/782241830.db2.gz CMJCJBBURFWXBG-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114363966 782241853 /nfs/dbraw/zinc/24/18/53/782241853.db2.gz NMIIBTBNEQEAQI-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114363966 782241859 /nfs/dbraw/zinc/24/18/59/782241859.db2.gz NMIIBTBNEQEAQI-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114363342 782242156 /nfs/dbraw/zinc/24/21/56/782242156.db2.gz BUWNXYGUAVJGCQ-MVVXRAEJSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114363342 782242167 /nfs/dbraw/zinc/24/21/67/782242167.db2.gz BUWNXYGUAVJGCQ-MVVXRAEJSA-N 1 1 308.382 -1.225 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114363936 782242183 /nfs/dbraw/zinc/24/21/83/782242183.db2.gz MYZYYFTUPDKOHQ-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114371376 782242741 /nfs/dbraw/zinc/24/27/41/782242741.db2.gz DQDHEYAOLYHFAU-IWIIMEHWSA-N 1 1 311.386 -1.560 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114367862 782242940 /nfs/dbraw/zinc/24/29/40/782242940.db2.gz AUTFRIUJTGKBNU-QISWUMQESA-N 1 1 312.370 -1.941 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001114367862 782242945 /nfs/dbraw/zinc/24/29/45/782242945.db2.gz AUTFRIUJTGKBNU-QISWUMQESA-N 1 1 312.370 -1.941 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114375710 782242961 /nfs/dbraw/zinc/24/29/61/782242961.db2.gz FOBKGPBUGAVZOM-UXCLJVHYSA-N 1 1 300.359 -2.031 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114373818 782243062 /nfs/dbraw/zinc/24/30/62/782243062.db2.gz JQRHVFSNQZSOAV-PJXYFTJBSA-N 1 1 321.385 -1.227 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114373818 782243070 /nfs/dbraw/zinc/24/30/70/782243070.db2.gz JQRHVFSNQZSOAV-PJXYFTJBSA-N 1 1 321.385 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001114374375 782243085 /nfs/dbraw/zinc/24/30/85/782243085.db2.gz RPRVNWYIUVWHJP-IWIIMEHWSA-N 1 1 311.386 -1.514 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001114374375 782243095 /nfs/dbraw/zinc/24/30/95/782243095.db2.gz RPRVNWYIUVWHJP-IWIIMEHWSA-N 1 1 311.386 -1.514 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001114376893 782243747 /nfs/dbraw/zinc/24/37/47/782243747.db2.gz VBPKYEHQPAILPX-PJXYFTJBSA-N 1 1 314.386 -1.375 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001114377089 782244071 /nfs/dbraw/zinc/24/40/71/782244071.db2.gz YSZGXAWRROQHPH-IMRBUKKESA-N 1 1 320.397 -1.062 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115249667 782246130 /nfs/dbraw/zinc/24/61/30/782246130.db2.gz JYERYTBAKFNEOT-LOKLDPHHSA-N 1 1 316.383 -2.530 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447501 782249073 /nfs/dbraw/zinc/24/90/73/782249073.db2.gz PGWLDVMHSOENEK-MBTKJCJQSA-N 1 1 320.309 -1.963 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447501 782249077 /nfs/dbraw/zinc/24/90/77/782249077.db2.gz PGWLDVMHSOENEK-MBTKJCJQSA-N 1 1 320.309 -1.963 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447273 782249540 /nfs/dbraw/zinc/24/95/40/782249540.db2.gz KYVZNOKDJKGWQM-IAZYJMLFSA-N 1 1 305.338 -1.022 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[nH]c1=O ZINC001114447273 782249545 /nfs/dbraw/zinc/24/95/45/782249545.db2.gz KYVZNOKDJKGWQM-IAZYJMLFSA-N 1 1 305.338 -1.022 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1cc[nH]c(=O)c1 ZINC001114466252 782249980 /nfs/dbraw/zinc/24/99/80/782249980.db2.gz OJZPDYZAGKATOR-HBYGRHMLSA-N 1 1 320.349 -1.165 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1cc[nH]c(=O)c1 ZINC001114466252 782249991 /nfs/dbraw/zinc/24/99/91/782249991.db2.gz OJZPDYZAGKATOR-HBYGRHMLSA-N 1 1 320.349 -1.165 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114476853 782250433 /nfs/dbraw/zinc/25/04/33/782250433.db2.gz AVZUKSJCUOARHC-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114476853 782250440 /nfs/dbraw/zinc/25/04/40/782250440.db2.gz AVZUKSJCUOARHC-KLBPJQLPSA-N 1 1 315.395 -1.644 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254328 782250971 /nfs/dbraw/zinc/25/09/71/782250971.db2.gz LWZSHSWWQVJCNS-QCBRBAQYSA-N 1 1 318.399 -2.154 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001114445782 782249326 /nfs/dbraw/zinc/24/93/26/782249326.db2.gz XOAIWTDYQPINDX-YCGPCKTQSA-N 1 1 311.382 -1.291 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001153710474 782249388 /nfs/dbraw/zinc/24/93/88/782249388.db2.gz VPACMSZSEZESPV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001153710474 782249397 /nfs/dbraw/zinc/24/93/97/782249397.db2.gz VPACMSZSEZESPV-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114479835 782251705 /nfs/dbraw/zinc/25/17/05/782251705.db2.gz BGMNNFZEKYGBDV-IAZYJMLFSA-N 1 1 306.384 -1.914 20 0 DAADMO COCCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114479835 782251714 /nfs/dbraw/zinc/25/17/14/782251714.db2.gz BGMNNFZEKYGBDV-IAZYJMLFSA-N 1 1 306.384 -1.914 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946655 782254413 /nfs/dbraw/zinc/25/44/13/782254413.db2.gz JMGHLKOZBITQAM-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCc1cn(C)nn1)c1nnnn1C ZINC001153770856 782252732 /nfs/dbraw/zinc/25/27/32/782252732.db2.gz NOLVDTYQZPNARS-VIFPVBQESA-N 1 1 307.362 -1.262 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(C[C@H]1CCC(=O)N1)C(=O)CO2 ZINC001274051474 782258625 /nfs/dbraw/zinc/25/86/25/782258625.db2.gz GKRQVUYESNXQEY-ZOWXZIJZSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274051387 782259351 /nfs/dbraw/zinc/25/93/51/782259351.db2.gz FKTZRNJDJOGCKX-FZMZJTMJSA-N 1 1 309.370 -1.001 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095331352 782255665 /nfs/dbraw/zinc/25/56/65/782255665.db2.gz MWEKEPVLOKXZIR-RNJOBUHISA-N 1 1 310.398 -1.086 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095331352 782255671 /nfs/dbraw/zinc/25/56/71/782255671.db2.gz MWEKEPVLOKXZIR-RNJOBUHISA-N 1 1 310.398 -1.086 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001095329568 782255970 /nfs/dbraw/zinc/25/59/70/782255970.db2.gz RPZSPDFIRQHYOU-RFGFWPKPSA-N 1 1 322.409 -1.071 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001095329568 782255973 /nfs/dbraw/zinc/25/59/73/782255973.db2.gz RPZSPDFIRQHYOU-RFGFWPKPSA-N 1 1 322.409 -1.071 20 0 DAADMO CC(=O)NCCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273999432 782257012 /nfs/dbraw/zinc/25/70/12/782257012.db2.gz KIWZJNXCNJJCOO-HNNXBMFYSA-N 1 1 312.414 -1.013 20 0 DAADMO COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274054287 782261105 /nfs/dbraw/zinc/26/11/05/782261105.db2.gz LPNZUBUTWICFDH-CQSZACIVSA-N 1 1 313.354 -1.067 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001274062443 782261385 /nfs/dbraw/zinc/26/13/85/782261385.db2.gz QDHMNOUVWOCKTF-OAHLLOKOSA-N 1 1 310.398 -1.272 20 0 DAADMO COC(CN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O)OC ZINC001274054625 782261571 /nfs/dbraw/zinc/26/15/71/782261571.db2.gz PADLYAVMQCOZGK-AWEZNQCLSA-N 1 1 313.354 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(Cc3nncn3C)C2=O)C1 ZINC001274072950 782262623 /nfs/dbraw/zinc/26/26/23/782262623.db2.gz IWOJNCMHNLWVIG-CQSZACIVSA-N 1 1 306.370 -1.015 20 0 DAADMO CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061587 782262838 /nfs/dbraw/zinc/26/28/38/782262838.db2.gz FFUAHKDLYKUWNG-YMTOWFKASA-N 1 1 310.354 -1.423 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274073234 782263369 /nfs/dbraw/zinc/26/33/69/782263369.db2.gz JUUQVPOJPBDNMR-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274073234 782263375 /nfs/dbraw/zinc/26/33/75/782263375.db2.gz JUUQVPOJPBDNMR-YGRLFVJLSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274074065 782263534 /nfs/dbraw/zinc/26/35/34/782263534.db2.gz RVLKNVHGDQOMEB-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001274072953 782263570 /nfs/dbraw/zinc/26/35/70/782263570.db2.gz IWPWPDDBCUQANQ-INIZCTEOSA-N 1 1 324.425 -1.011 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274073231 782264113 /nfs/dbraw/zinc/26/41/13/782264113.db2.gz JUUQVPOJPBDNMR-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274073231 782264123 /nfs/dbraw/zinc/26/41/23/782264123.db2.gz JUUQVPOJPBDNMR-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274060705 782264183 /nfs/dbraw/zinc/26/41/83/782264183.db2.gz AOPHJIKLNCPNCP-BMIGLBTASA-N 1 1 322.365 -1.409 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001110856172 782269408 /nfs/dbraw/zinc/26/94/08/782269408.db2.gz QZQVVYDMVGMTHZ-UTUOFQBUSA-N 1 1 309.370 -1.314 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001110860745 782269590 /nfs/dbraw/zinc/26/95/90/782269590.db2.gz CGFIPWOMGQDJDL-DBIOUOCHSA-N 1 1 320.415 -1.858 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001274078573 782265995 /nfs/dbraw/zinc/26/59/95/782265995.db2.gz PBBIURSIAVHTGO-OAHLLOKOSA-N 1 1 321.381 -1.031 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001274078573 782266001 /nfs/dbraw/zinc/26/60/01/782266001.db2.gz PBBIURSIAVHTGO-OAHLLOKOSA-N 1 1 321.381 -1.031 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(=O)n(C)c1=O ZINC001274149292 782267177 /nfs/dbraw/zinc/26/71/77/782267177.db2.gz SNBMETGOARXKNT-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(=O)n(C)c1=O ZINC001274149292 782267184 /nfs/dbraw/zinc/26/71/84/782267184.db2.gz SNBMETGOARXKNT-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)[C@@]2(C)CCNC2=O)nc1=O ZINC001274359531 782276746 /nfs/dbraw/zinc/27/67/46/782276746.db2.gz DUTBLRFCXKWLNH-VQTKUKTRSA-N 1 1 322.369 -1.603 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1Cc2ccnn2CC[C@H]1C(N)=O ZINC001274233485 782270528 /nfs/dbraw/zinc/27/05/28/782270528.db2.gz PSFLQENKVMWGJJ-QWHCGFSZSA-N 1 1 320.397 -1.285 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2C[C@H](CC(N)=O)O[C@H]2C1 ZINC001274233682 782270703 /nfs/dbraw/zinc/27/07/03/782270703.db2.gz RZDIPFBPGOSOPK-NDBYEHHHSA-N 1 1 310.398 -1.277 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](C(N)=O)n2nccc2C1 ZINC001274233053 782270871 /nfs/dbraw/zinc/27/08/71/782270871.db2.gz KKKPJWMCVQWDGL-STQMWFEESA-N 1 1 320.397 -1.112 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCc2c(n[nH]c2C(N)=O)C1 ZINC001274233389 782270977 /nfs/dbraw/zinc/27/09/77/782270977.db2.gz NSLHFUSJDSGFCU-LLVKDONJSA-N 1 1 306.370 -1.361 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCn2c(nnc2C(N)=O)C1 ZINC001274233217 782271216 /nfs/dbraw/zinc/27/12/16/782271216.db2.gz MFBNJVQQOHJDIJ-SECBINFHSA-N 1 1 307.358 -2.035 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCn2c(C(N)=O)cnc2C1 ZINC001274233903 782271399 /nfs/dbraw/zinc/27/13/99/782271399.db2.gz SPORFRIYELXYIE-NSHDSACASA-N 1 1 306.370 -1.430 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1Cc2ccnn2CC[C@@H]1C(N)=O ZINC001274233481 782271460 /nfs/dbraw/zinc/27/14/60/782271460.db2.gz PSFLQENKVMWGJJ-CHWSQXEVSA-N 1 1 320.397 -1.285 20 0 DAADMO Cn1ccc(C[NH2+]C/C=C\CNC(=O)CN2CCNC(=O)C2)n1 ZINC001274252970 782271786 /nfs/dbraw/zinc/27/17/86/782271786.db2.gz GSVHOJGFQBYSLA-IHWYPQMZSA-N 1 1 320.397 -1.386 20 0 DAADMO Cc1nnc(C[NH2+]CC=CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001274262623 782272070 /nfs/dbraw/zinc/27/20/70/782272070.db2.gz FFGHAQVWXNDVIN-IHWYPQMZSA-N 1 1 321.385 -1.693 20 0 DAADMO Cn1cc(C[NH2+]CC=CCNC(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001274262636 782272189 /nfs/dbraw/zinc/27/21/89/782272189.db2.gz FLXMOMZXXWWFFA-DLRQAJBASA-N 1 1 307.358 -1.399 20 0 DAADMO C[C@H]([NH2+]C/C=C\CNC(=O)c1nnn(C)n1)c1nncn1C ZINC001274274357 782273368 /nfs/dbraw/zinc/27/33/68/782273368.db2.gz LEFHYVXMOYBCMV-WBSSQXGSSA-N 1 1 305.346 -1.025 20 0 DAADMO CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2Cc1nncn1C ZINC001274551822 782282273 /nfs/dbraw/zinc/28/22/73/782282273.db2.gz AAWKCXIPAIYXEX-LLVKDONJSA-N 1 1 309.370 -1.001 20 0 DAADMO CN1C[C@@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)OCC1=O ZINC001274541344 782282364 /nfs/dbraw/zinc/28/23/64/782282364.db2.gz NMNFKEXZQGPRQK-UKRRQHHQSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C1CO[C@@]2(CC[N@H+](C[C@H](O)CO)C2)CN1CCn1ccnc1 ZINC001274566408 782282687 /nfs/dbraw/zinc/28/26/87/782282687.db2.gz ZKEBAYXZXKBSIC-DZGCQCFKSA-N 1 1 324.381 -1.460 20 0 DAADMO COCCOCN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274565662 782283134 /nfs/dbraw/zinc/28/31/34/782283134.db2.gz LMGBXWONCJNAQI-JSGCOSHPSA-N 1 1 302.371 -1.116 20 0 DAADMO CCOCCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274566221 782283255 /nfs/dbraw/zinc/28/32/55/782283255.db2.gz MVFJTYMFVCINNO-JSGCOSHPSA-N 1 1 302.371 -1.321 20 0 DAADMO COC(CN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O)OC ZINC001274568331 782283358 /nfs/dbraw/zinc/28/33/58/782283358.db2.gz VYVINMIUMVRWSS-SMDDNHRTSA-N 1 1 318.370 -1.738 20 0 DAADMO Cn1cc(C[NH2+]C/C=C/CNC(=O)CN2C(=O)CCC2=O)nn1 ZINC001274567057 782283420 /nfs/dbraw/zinc/28/34/20/782283420.db2.gz GSAMGULLYKVHQC-NSCUHMNNSA-N 1 1 320.353 -1.274 20 0 DAADMO O=C1CO[C@@]2(CC[N@H+](C[C@H](O)CO)C2)CN1Cc1cnoc1 ZINC001274566107 782283438 /nfs/dbraw/zinc/28/34/38/782283438.db2.gz VPCAFLCATDXWDW-GXTWGEPZSA-N 1 1 311.338 -1.169 20 0 DAADMO CC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568014 782283497 /nfs/dbraw/zinc/28/34/97/782283497.db2.gz UEIMUXLNXDNEKU-JKOKRWQUSA-N 1 1 300.355 -1.380 20 0 DAADMO COC(CN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O)OC ZINC001274568330 782283639 /nfs/dbraw/zinc/28/36/39/782283639.db2.gz VYVINMIUMVRWSS-FZMZJTMJSA-N 1 1 318.370 -1.738 20 0 DAADMO CCOCCN1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274566220 782284199 /nfs/dbraw/zinc/28/41/99/782284199.db2.gz MVFJTYMFVCINNO-GXTWGEPZSA-N 1 1 302.371 -1.321 20 0 DAADMO Cn1cc(C[NH2+]C/C=C\CNC(=O)CN2C(=O)CCC2=O)nn1 ZINC001274567056 782284300 /nfs/dbraw/zinc/28/43/00/782284300.db2.gz GSAMGULLYKVHQC-IHWYPQMZSA-N 1 1 320.353 -1.274 20 0 DAADMO CC(C)(O)C[NH+]1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001274595686 782285401 /nfs/dbraw/zinc/28/54/01/782285401.db2.gz SBOIEILHYSJTHS-LLVKDONJSA-N 1 1 311.382 -1.051 20 0 DAADMO COCCOCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568596 782285563 /nfs/dbraw/zinc/28/55/63/782285563.db2.gz WILHNZGHDRLKKK-JSGCOSHPSA-N 1 1 318.370 -1.737 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCOCCO ZINC001274633051 782287164 /nfs/dbraw/zinc/28/71/64/782287164.db2.gz DOXOMXGVFRQWAJ-QWRGUYRKSA-N 1 1 312.374 -1.198 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274643823 782287853 /nfs/dbraw/zinc/28/78/53/782287853.db2.gz VZNAMEHVYVKVCM-JSGCOSHPSA-N 1 1 300.355 -1.304 20 0 DAADMO NC(=O)[C@H]1CCn2nccc2CN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274698401 782290837 /nfs/dbraw/zinc/29/08/37/782290837.db2.gz SVNCLNCYYFOXCZ-NWDGAFQWSA-N 1 1 307.354 -1.464 20 0 DAADMO NC(=O)[C@H]1CCn2nccc2CN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274698401 782290841 /nfs/dbraw/zinc/29/08/41/782290841.db2.gz SVNCLNCYYFOXCZ-NWDGAFQWSA-N 1 1 307.354 -1.464 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)O1 ZINC001274699122 782291141 /nfs/dbraw/zinc/29/11/41/782291141.db2.gz YISZKGNVQWHQFE-RYUDHWBXSA-N 1 1 311.382 -1.099 20 0 DAADMO CN(C)C(=O)[C@@H]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)O1 ZINC001274699122 782291150 /nfs/dbraw/zinc/29/11/50/782291150.db2.gz YISZKGNVQWHQFE-RYUDHWBXSA-N 1 1 311.382 -1.099 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CC2(C[C@@H]2C(=O)NCC2COC2)C1 ZINC001274696783 782291547 /nfs/dbraw/zinc/29/15/47/782291547.db2.gz CPFXIQOVXWXRCL-QWHCGFSZSA-N 1 1 323.393 -1.336 20 0 DAADMO NC(=O)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)Cc2ccnn21 ZINC001274697502 782291805 /nfs/dbraw/zinc/29/18/05/782291805.db2.gz KUWKXOFWVWJSJF-NWDGAFQWSA-N 1 1 307.354 -1.292 20 0 DAADMO NC(=O)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)Cc2ccnn21 ZINC001274697502 782291813 /nfs/dbraw/zinc/29/18/13/782291813.db2.gz KUWKXOFWVWJSJF-NWDGAFQWSA-N 1 1 307.354 -1.292 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274791456 782293743 /nfs/dbraw/zinc/29/37/43/782293743.db2.gz KFVFPYRITXYGRM-SFYZADRCSA-N 1 1 309.330 -1.993 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)CN1CCNC(=O)C1 ZINC001292856221 782293937 /nfs/dbraw/zinc/29/39/37/782293937.db2.gz CGFVYONBJZMNNH-UHFFFAOYSA-N 1 1 313.402 -2.009 20 0 DAADMO C[C@@H](CCNC(=O)c1ncn[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001274804802 782294077 /nfs/dbraw/zinc/29/40/77/782294077.db2.gz YJEQFCUCWPHWBK-QMMMGPOBSA-N 1 1 304.376 -1.548 20 0 DAADMO C[C@@H](CCNC(=O)c1nc[nH]n1)[NH2+]CCNS(C)(=O)=O ZINC001274804802 782294083 /nfs/dbraw/zinc/29/40/83/782294083.db2.gz YJEQFCUCWPHWBK-QMMMGPOBSA-N 1 1 304.376 -1.548 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]Cc1nnn(C)n1 ZINC001274771951 782294569 /nfs/dbraw/zinc/29/45/69/782294569.db2.gz JVIAKEXHLAOXDB-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299389204 782295507 /nfs/dbraw/zinc/29/55/07/782295507.db2.gz NWXCMWGQCGSSIG-UHFFFAOYSA-N 1 1 324.385 -1.026 20 0 DAADMO C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275043680 782300779 /nfs/dbraw/zinc/30/07/79/782300779.db2.gz GJPIRCMVSXMUAE-XWRRPNNZSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001275043680 782300783 /nfs/dbraw/zinc/30/07/83/782300783.db2.gz GJPIRCMVSXMUAE-XWRRPNNZSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001275043659 782301282 /nfs/dbraw/zinc/30/12/82/782301282.db2.gz GBQPOYDCKXTOCO-XIXNAZORSA-N 1 1 302.327 -3.051 20 0 DAADMO C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2C1 ZINC001275043679 782301789 /nfs/dbraw/zinc/30/17/89/782301789.db2.gz GJPIRCMVSXMUAE-VFVVQXMNSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2C1 ZINC001275043679 782301804 /nfs/dbraw/zinc/30/18/04/782301804.db2.gz GJPIRCMVSXMUAE-VFVVQXMNSA-N 1 1 318.326 -3.672 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](C[C@H]1CCC(=O)N1)C2 ZINC001275186712 782303839 /nfs/dbraw/zinc/30/38/39/782303839.db2.gz LUBQTYZQSHAUDH-SNVBAGLBSA-N 1 1 304.354 -1.149 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001275543889 782313997 /nfs/dbraw/zinc/31/39/97/782313997.db2.gz GXBNMAGOKIBJGO-PSASIEDQSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](NC(=O)CC(N)=O)[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001275374646 782308151 /nfs/dbraw/zinc/30/81/51/782308151.db2.gz DUKNVMWSHXUYBN-DTWKUNHWSA-N 1 1 310.358 -1.334 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCNC1=O ZINC001275613696 782314380 /nfs/dbraw/zinc/31/43/80/782314380.db2.gz FKYOLXCBKNAHPG-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)[C@H](C)NC(=O)c1cnn[nH]1 ZINC001275433145 782310300 /nfs/dbraw/zinc/31/03/00/782310300.db2.gz IQPOZIVDSBPESQ-BDAKNGLRSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[N@H+](C)CCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001275529942 782311715 /nfs/dbraw/zinc/31/17/15/782311715.db2.gz ZAWXLRBNVOHNOU-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@H](C[N@@H+](C)CCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001275529942 782311717 /nfs/dbraw/zinc/31/17/17/782311717.db2.gz ZAWXLRBNVOHNOU-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001275565337 782313073 /nfs/dbraw/zinc/31/30/73/782313073.db2.gz GWYHDMAKNHWIJA-NXEZZACHSA-N 1 1 312.370 -1.294 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001275565337 782313077 /nfs/dbraw/zinc/31/30/77/782313077.db2.gz GWYHDMAKNHWIJA-NXEZZACHSA-N 1 1 312.370 -1.294 20 0 DAADMO C[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001275541876 782313271 /nfs/dbraw/zinc/31/32/71/782313271.db2.gz QWNSAOORUHHKRZ-DTWKUNHWSA-N 1 1 324.341 -1.054 20 0 DAADMO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001275298162 782307057 /nfs/dbraw/zinc/30/70/57/782307057.db2.gz WWLQKDOVJYJTBD-VIFPVBQESA-N 1 1 323.353 -1.017 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001275639218 782315523 /nfs/dbraw/zinc/31/55/23/782315523.db2.gz UBFATSZSTGSKDC-SECBINFHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001275639218 782315527 /nfs/dbraw/zinc/31/55/27/782315527.db2.gz UBFATSZSTGSKDC-SECBINFHSA-N 1 1 320.415 -1.762 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001275689806 782315587 /nfs/dbraw/zinc/31/55/87/782315587.db2.gz NKNXDTYTOQWFSX-JQWIXIFHSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699799 782316688 /nfs/dbraw/zinc/31/66/88/782316688.db2.gz ZTQKMQSBSKWIAW-IUCAKERBSA-N 1 1 313.358 -1.809 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275699799 782316697 /nfs/dbraw/zinc/31/66/97/782316697.db2.gz ZTQKMQSBSKWIAW-IUCAKERBSA-N 1 1 313.358 -1.809 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001275712085 782316937 /nfs/dbraw/zinc/31/69/37/782316937.db2.gz DRWRFXNCYOTIGB-VHSXEESVSA-N 1 1 312.370 -1.164 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C(=O)NCC(F)F)C1 ZINC001297022871 782317787 /nfs/dbraw/zinc/31/77/87/782317787.db2.gz YCGIZTXYUDMWCV-SECBINFHSA-N 1 1 318.324 -1.211 20 0 DAADMO Cn1nnnc1NC(=O)[C@@H]1CC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001275978121 782325018 /nfs/dbraw/zinc/32/50/18/782325018.db2.gz JMPDIJVFGBTRHN-VIFPVBQESA-N 1 1 305.342 -1.297 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275812441 782319534 /nfs/dbraw/zinc/31/95/34/782319534.db2.gz YJSKCDRQRPMYGI-ZJUUUORDSA-N 1 1 312.370 -1.246 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001275812436 782319887 /nfs/dbraw/zinc/31/98/87/782319887.db2.gz YJSKCDRQRPMYGI-UWVGGRQHSA-N 1 1 312.370 -1.246 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275904682 782320445 /nfs/dbraw/zinc/32/04/45/782320445.db2.gz MQYJBZQDLIBOGC-QMMMGPOBSA-N 1 1 324.345 -2.188 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275897380 782320506 /nfs/dbraw/zinc/32/05/06/782320506.db2.gz MRAMCNQYKNYKBK-MRVPVSSYSA-N 1 1 323.357 -1.285 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCN1CCNC1=O ZINC001275897583 782321244 /nfs/dbraw/zinc/32/12/44/782321244.db2.gz QJTJZOKPKXZUNK-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001275954344 782325181 /nfs/dbraw/zinc/32/51/81/782325181.db2.gz BGHTULFJHYVSCJ-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001275954344 782325183 /nfs/dbraw/zinc/32/51/83/782325183.db2.gz BGHTULFJHYVSCJ-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001275977902 782325222 /nfs/dbraw/zinc/32/52/22/782325222.db2.gz GDRVRMCZIMIJCG-XHJNMGKDSA-N 1 1 316.398 -1.126 20 0 DAADMO Cn1nnnc1NC(=O)[C@H]1CC12CN(C(=O)C[NH+]1CCC1)C2 ZINC001275978120 782325288 /nfs/dbraw/zinc/32/52/88/782325288.db2.gz JMPDIJVFGBTRHN-SECBINFHSA-N 1 1 305.342 -1.297 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CCCO ZINC001275944134 782323932 /nfs/dbraw/zinc/32/39/32/782323932.db2.gz BEQRACJXHDNOAW-VIFPVBQESA-N 1 1 314.342 -1.774 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@H+](C)CC(N)=O ZINC001275945478 782324240 /nfs/dbraw/zinc/32/42/40/782324240.db2.gz MYBAJFFOHIVBJY-SSDOTTSWSA-N 1 1 313.314 -2.671 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)[N@@H+](C)CC(N)=O ZINC001275945478 782324242 /nfs/dbraw/zinc/32/42/42/782324242.db2.gz MYBAJFFOHIVBJY-SSDOTTSWSA-N 1 1 313.314 -2.671 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001275963773 782326115 /nfs/dbraw/zinc/32/61/15/782326115.db2.gz SFPQAPRBYZMXBZ-ZYHUDNBSSA-N 1 1 301.387 -1.044 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275994964 782327346 /nfs/dbraw/zinc/32/73/46/782327346.db2.gz YPORIDYADCECBZ-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275994964 782327355 /nfs/dbraw/zinc/32/73/55/782327355.db2.gz YPORIDYADCECBZ-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[N@H+](C)CC(=O)N1CCC1 ZINC001276020791 782328287 /nfs/dbraw/zinc/32/82/87/782328287.db2.gz DSHLXFZEBYDHRA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[N@@H+](C)CC(=O)N1CCC1 ZINC001276020791 782328295 /nfs/dbraw/zinc/32/82/95/782328295.db2.gz DSHLXFZEBYDHRA-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001098501860 782333015 /nfs/dbraw/zinc/33/30/15/782333015.db2.gz LTBPEWDJYYKDKE-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO COCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001276075743 782331910 /nfs/dbraw/zinc/33/19/10/782331910.db2.gz OTQLVTOUNCEJEQ-JTQLQIEISA-N 1 1 300.359 -1.743 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001275993058 782325520 /nfs/dbraw/zinc/32/55/20/782325520.db2.gz DQZMKBQMBDIUKS-GHMZBOCLSA-N 1 1 315.370 -1.421 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001275963772 782325780 /nfs/dbraw/zinc/32/57/80/782325780.db2.gz SFPQAPRBYZMXBZ-CMPLNLGQSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001095568929 782335307 /nfs/dbraw/zinc/33/53/07/782335307.db2.gz ATQDGPBEWKXOFW-RHYQMDGZSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2 ZINC001095568929 782335313 /nfs/dbraw/zinc/33/53/13/782335313.db2.gz ATQDGPBEWKXOFW-RHYQMDGZSA-N 1 1 308.382 -1.020 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CCNC1=O ZINC001110890917 782336687 /nfs/dbraw/zinc/33/66/87/782336687.db2.gz MOPDBISWCNZABT-XQHKEYJVSA-N 1 1 311.382 -1.147 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095680972 782336759 /nfs/dbraw/zinc/33/67/59/782336759.db2.gz CRBRVNRISHSUMS-USZNOCQGSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001095680972 782336767 /nfs/dbraw/zinc/33/67/67/782336767.db2.gz CRBRVNRISHSUMS-USZNOCQGSA-N 1 1 323.397 -1.003 20 0 DAADMO Cc1nnc(C[NH2+]CCCN(C)C(=O)CN2CCNC(=O)C2)o1 ZINC001276167613 782333637 /nfs/dbraw/zinc/33/36/37/782333637.db2.gz FSEWDHWIZJAQMI-UHFFFAOYSA-N 1 1 324.385 -1.252 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110966793 782339907 /nfs/dbraw/zinc/33/99/07/782339907.db2.gz GLBASAFUJQDEHW-KKOKHZNYSA-N 1 1 311.382 -1.019 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048767 782343223 /nfs/dbraw/zinc/34/32/23/782343223.db2.gz KCODCAWNZIGOOQ-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048767 782343230 /nfs/dbraw/zinc/34/32/30/782343230.db2.gz KCODCAWNZIGOOQ-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048769 782343538 /nfs/dbraw/zinc/34/35/38/782343538.db2.gz KCODCAWNZIGOOQ-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)C1 ZINC001111048769 782343546 /nfs/dbraw/zinc/34/35/46/782343546.db2.gz KCODCAWNZIGOOQ-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111334413 782353886 /nfs/dbraw/zinc/35/38/86/782353886.db2.gz ZUSKALJXKXMJHG-MXWKQRLJSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111336875 782354068 /nfs/dbraw/zinc/35/40/68/782354068.db2.gz AKQMNQWFNBCBJF-QCNOEVLYSA-N 1 1 319.427 -1.020 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114493271 782357552 /nfs/dbraw/zinc/35/75/52/782357552.db2.gz DTSCMOWQVRIWRH-CIQGVGRVSA-N 1 1 323.397 -1.211 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001114502329 782359028 /nfs/dbraw/zinc/35/90/28/782359028.db2.gz SCTWTHOJGALKSL-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001114502329 782359038 /nfs/dbraw/zinc/35/90/38/782359038.db2.gz SCTWTHOJGALKSL-KZWBYHQPSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111378243 782356158 /nfs/dbraw/zinc/35/61/58/782356158.db2.gz KDLFRPCBBMUCFY-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(N)=O)C2 ZINC001111378243 782356169 /nfs/dbraw/zinc/35/61/69/782356169.db2.gz KDLFRPCBBMUCFY-DBIOUOCHSA-N 1 1 311.386 -1.099 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095866625 782356655 /nfs/dbraw/zinc/35/66/55/782356655.db2.gz IYYPHBPQIVIQMP-RHYQMDGZSA-N 1 1 308.382 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC1=O)C2 ZINC001095866625 782356665 /nfs/dbraw/zinc/35/66/65/782356665.db2.gz IYYPHBPQIVIQMP-RHYQMDGZSA-N 1 1 308.382 -1.068 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC001114494357 782357318 /nfs/dbraw/zinc/35/73/18/782357318.db2.gz XVWPSLJHUZEIMG-PJXYFTJBSA-N 1 1 309.370 -1.335 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114970170 782361221 /nfs/dbraw/zinc/36/12/21/782361221.db2.gz KGDZBJLODPXYAO-YTWAJWBKSA-N 1 1 308.382 -1.177 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)n1 ZINC001095882860 782361975 /nfs/dbraw/zinc/36/19/75/782361975.db2.gz QRJGPFBFMVYZCX-RCWTZXSCSA-N 1 1 319.369 -1.176 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)n1 ZINC001095882860 782361980 /nfs/dbraw/zinc/36/19/80/782361980.db2.gz QRJGPFBFMVYZCX-RCWTZXSCSA-N 1 1 319.369 -1.176 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001114592726 782362420 /nfs/dbraw/zinc/36/24/20/782362420.db2.gz JTESDEQNWYPGSD-WCCFOQQASA-N 1 1 324.381 -1.669 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001114592726 782362432 /nfs/dbraw/zinc/36/24/32/782362432.db2.gz JTESDEQNWYPGSD-WCCFOQQASA-N 1 1 324.381 -1.669 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114508934 782360117 /nfs/dbraw/zinc/36/01/17/782360117.db2.gz YCWKGDMREHLGCP-PYHGXSLLSA-N 1 1 316.308 -1.697 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CNC(=O)C1 ZINC001114603058 782363403 /nfs/dbraw/zinc/36/34/03/782363403.db2.gz VJVSTMABLCQVSU-REJLFOLJSA-N 1 1 311.382 -1.432 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)NC1=O ZINC001114671828 782367356 /nfs/dbraw/zinc/36/73/56/782367356.db2.gz KKJKNOQGOLHALN-JIOCBJNQSA-N 1 1 324.341 -2.749 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)NC1=O ZINC001114671828 782367367 /nfs/dbraw/zinc/36/73/67/782367367.db2.gz KKJKNOQGOLHALN-JIOCBJNQSA-N 1 1 324.341 -2.749 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114675493 782367671 /nfs/dbraw/zinc/36/76/71/782367671.db2.gz OCJUFGJZVGBZMC-GJTWSCIVSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114675493 782367675 /nfs/dbraw/zinc/36/76/75/782367675.db2.gz OCJUFGJZVGBZMC-GJTWSCIVSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C2 ZINC001095889319 782367703 /nfs/dbraw/zinc/36/77/03/782367703.db2.gz QRNCTJNMWUITJU-WYUUTHIRSA-N 1 1 308.382 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C2 ZINC001095889319 782367707 /nfs/dbraw/zinc/36/77/07/782367707.db2.gz QRNCTJNMWUITJU-WYUUTHIRSA-N 1 1 308.382 -1.068 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001114605079 782363869 /nfs/dbraw/zinc/36/38/69/782363869.db2.gz KCDSGBPPVBYBNP-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001114605079 782363878 /nfs/dbraw/zinc/36/38/78/782363878.db2.gz KCDSGBPPVBYBNP-MHOHDPQLSA-N 1 1 308.382 -1.305 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001114621003 782364364 /nfs/dbraw/zinc/36/43/64/782364364.db2.gz ATJBRAKKXUVOAA-ZRUFSTJUSA-N 1 1 305.400 -1.518 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114623883 782364558 /nfs/dbraw/zinc/36/45/58/782364558.db2.gz HNEOQTZAPRFSTF-MTBHXBHISA-N 1 1 305.360 -3.428 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114623883 782364561 /nfs/dbraw/zinc/36/45/61/782364561.db2.gz HNEOQTZAPRFSTF-MTBHXBHISA-N 1 1 305.360 -3.428 20 0 DAADMO COc1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)co1 ZINC001114623695 782364833 /nfs/dbraw/zinc/36/48/33/782364833.db2.gz CXKTWINKITWOAU-MTBHXBHISA-N 1 1 323.309 -1.462 20 0 DAADMO COc1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)co1 ZINC001114623695 782364843 /nfs/dbraw/zinc/36/48/43/782364843.db2.gz CXKTWINKITWOAU-MTBHXBHISA-N 1 1 323.309 -1.462 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]21 ZINC001114623648 782364860 /nfs/dbraw/zinc/36/48/60/782364860.db2.gz CDRXUYVNGZXMQF-SVDPJWKOSA-N 1 1 322.406 -1.165 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001114632911 782365372 /nfs/dbraw/zinc/36/53/72/782365372.db2.gz PYKAIRGDGKPMDX-RSLMWUCJSA-N 1 1 307.354 -1.361 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001114632911 782365381 /nfs/dbraw/zinc/36/53/81/782365381.db2.gz PYKAIRGDGKPMDX-RSLMWUCJSA-N 1 1 307.354 -1.361 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC001114624828 782365510 /nfs/dbraw/zinc/36/55/10/782365510.db2.gz YXTJEAHWNARBDL-JQGRHHDRSA-N 1 1 322.818 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001114624758 782365666 /nfs/dbraw/zinc/36/56/66/782365666.db2.gz XXKLIHULODSGKU-SVDPJWKOSA-N 1 1 320.415 -1.879 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(COC)CCOC1 ZINC001114630383 782365673 /nfs/dbraw/zinc/36/56/73/782365673.db2.gz ZDRHREJTCFBLKL-MDHDOXDCSA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(COC)CCOC1 ZINC001114630383 782365675 /nfs/dbraw/zinc/36/56/75/782365675.db2.gz ZDRHREJTCFBLKL-MDHDOXDCSA-N 1 1 311.382 -1.168 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114641870 782365682 /nfs/dbraw/zinc/36/56/82/782365682.db2.gz LGCPHFFAOXJRAW-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC001114641870 782365686 /nfs/dbraw/zinc/36/56/86/782365686.db2.gz LGCPHFFAOXJRAW-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114662353 782366226 /nfs/dbraw/zinc/36/62/26/782366226.db2.gz IRZSMBFEGAEXFE-NMKXLXIOSA-N 1 1 322.409 -1.059 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114662353 782366231 /nfs/dbraw/zinc/36/62/31/782366231.db2.gz IRZSMBFEGAEXFE-NMKXLXIOSA-N 1 1 322.409 -1.059 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001114665058 782366697 /nfs/dbraw/zinc/36/66/97/782366697.db2.gz ANYVNRGPIMZOET-XZUYRWCXSA-N 1 1 323.397 -1.465 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)n1C ZINC001114665823 782366822 /nfs/dbraw/zinc/36/68/22/782366822.db2.gz OTFUSCAPEFLZFY-UXCLJVHYSA-N 1 1 310.354 -1.207 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693367 782369021 /nfs/dbraw/zinc/36/90/21/782369021.db2.gz ZXLMZNRCXJTNQN-IAZYJMLFSA-N 1 1 321.385 -1.262 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693367 782369028 /nfs/dbraw/zinc/36/90/28/782369028.db2.gz ZXLMZNRCXJTNQN-IAZYJMLFSA-N 1 1 321.385 -1.262 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114679035 782369053 /nfs/dbraw/zinc/36/90/53/782369053.db2.gz RSZKCHVNNPASLT-REIXXSIJSA-N 1 1 323.353 -2.376 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114679035 782369064 /nfs/dbraw/zinc/36/90/64/782369064.db2.gz RSZKCHVNNPASLT-REIXXSIJSA-N 1 1 323.353 -2.376 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692374 782369136 /nfs/dbraw/zinc/36/91/36/782369136.db2.gz GCMXCVPLPJDKOD-JZYVYDRUSA-N 1 1 307.358 -1.605 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692374 782369145 /nfs/dbraw/zinc/36/91/45/782369145.db2.gz GCMXCVPLPJDKOD-JZYVYDRUSA-N 1 1 307.358 -1.605 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114676290 782369414 /nfs/dbraw/zinc/36/94/14/782369414.db2.gz WFSIWMGJHKTVKO-KZWBYHQPSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114695491 782370496 /nfs/dbraw/zinc/37/04/96/782370496.db2.gz HDMVJKXCUGEZLY-KIKITERTSA-N 1 1 323.353 -2.152 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114695491 782370505 /nfs/dbraw/zinc/37/05/05/782370505.db2.gz HDMVJKXCUGEZLY-KIKITERTSA-N 1 1 323.353 -2.152 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114727223 782371333 /nfs/dbraw/zinc/37/13/33/782371333.db2.gz UHDBNZDQBHCVNX-BXSSEVMYSA-N 1 1 321.337 -1.153 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114727223 782371343 /nfs/dbraw/zinc/37/13/43/782371343.db2.gz UHDBNZDQBHCVNX-BXSSEVMYSA-N 1 1 321.337 -1.153 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745570 782371905 /nfs/dbraw/zinc/37/19/05/782371905.db2.gz CCIUCOAHCHVFHL-AYHNYZOXSA-N 1 1 310.314 -3.091 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114745570 782371915 /nfs/dbraw/zinc/37/19/15/782371915.db2.gz CCIUCOAHCHVFHL-AYHNYZOXSA-N 1 1 310.314 -3.091 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692931 782368619 /nfs/dbraw/zinc/36/86/19/782368619.db2.gz RLKPNXFTKRWICB-URLYPYJESA-N 1 1 310.358 -1.467 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114677944 782368639 /nfs/dbraw/zinc/36/86/39/782368639.db2.gz HUSXKNLIFCYQRE-NDBYEHHHSA-N 1 1 311.382 -1.168 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692366 782368691 /nfs/dbraw/zinc/36/86/91/782368691.db2.gz GBYGZPUKTWCUFZ-IAZYJMLFSA-N 1 1 321.385 -1.263 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692366 782368692 /nfs/dbraw/zinc/36/86/92/782368692.db2.gz GBYGZPUKTWCUFZ-IAZYJMLFSA-N 1 1 321.385 -1.263 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC001114752648 782373708 /nfs/dbraw/zinc/37/37/08/782373708.db2.gz IYBFRVLKCBOSCG-FTYKPCCVSA-N 1 1 323.349 -1.311 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756014 782374803 /nfs/dbraw/zinc/37/48/03/782374803.db2.gz SZAODNNNNJQXKB-PRQTWWFRSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114756014 782374813 /nfs/dbraw/zinc/37/48/13/782374813.db2.gz SZAODNNNNJQXKB-PRQTWWFRSA-N 1 1 323.353 -2.105 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114755056 782374888 /nfs/dbraw/zinc/37/48/88/782374888.db2.gz KTQQRBCCEVUQGR-IAZYJMLFSA-N 1 1 305.400 -1.516 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114754479 782375033 /nfs/dbraw/zinc/37/50/33/782375033.db2.gz CCZLRQCJVPYAEF-UXCLJVHYSA-N 1 1 305.400 -1.518 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114756815 782375213 /nfs/dbraw/zinc/37/52/13/782375213.db2.gz AAVRMVAITYQXEY-YJQGPUDQSA-N 1 1 320.393 -1.035 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114765312 782375780 /nfs/dbraw/zinc/37/57/80/782375780.db2.gz CXAZBMGAWYWHGB-UKKRHICBSA-N 1 1 308.382 -1.225 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC001114771603 782376420 /nfs/dbraw/zinc/37/64/20/782376420.db2.gz GDHMBWRSKCUEFV-SVDPJWKOSA-N 1 1 310.354 -1.207 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114771603 782376428 /nfs/dbraw/zinc/37/64/28/782376428.db2.gz GDHMBWRSKCUEFV-SVDPJWKOSA-N 1 1 310.354 -1.207 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114771603 782376439 /nfs/dbraw/zinc/37/64/39/782376439.db2.gz GDHMBWRSKCUEFV-SVDPJWKOSA-N 1 1 310.354 -1.207 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763900 782376647 /nfs/dbraw/zinc/37/66/47/782376647.db2.gz KDHUUZKCBAPAGH-URLYPYJESA-N 1 1 304.354 -1.373 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114763900 782376658 /nfs/dbraw/zinc/37/66/58/782376658.db2.gz KDHUUZKCBAPAGH-URLYPYJESA-N 1 1 304.354 -1.373 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001114787569 782376869 /nfs/dbraw/zinc/37/68/69/782376869.db2.gz VGBBBARZXXCBDA-SGOHARFASA-N 1 1 311.382 -1.291 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114801505 782377947 /nfs/dbraw/zinc/37/79/47/782377947.db2.gz XARVFQBUHBFFCY-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001114745899 782372077 /nfs/dbraw/zinc/37/20/77/782372077.db2.gz ICOOQUMASWAXKG-SRRSOLGSSA-N 1 1 321.381 -1.760 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001114745899 782372085 /nfs/dbraw/zinc/37/20/85/782372085.db2.gz ICOOQUMASWAXKG-SRRSOLGSSA-N 1 1 321.381 -1.760 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001114745757 782372148 /nfs/dbraw/zinc/37/21/48/782372148.db2.gz FSOKULHGPQORJM-QCBRBAQYSA-N 1 1 318.324 -1.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COc1cnn(C)c1 ZINC001114741166 782372217 /nfs/dbraw/zinc/37/22/17/782372217.db2.gz JTQDZDLCZGUHCJ-PQFRYHKHSA-N 1 1 321.381 -1.020 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746152 782372346 /nfs/dbraw/zinc/37/23/46/782372346.db2.gz MHJHWZPCYRNDJS-MIZYBKAJSA-N 1 1 309.370 -1.760 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114746152 782372353 /nfs/dbraw/zinc/37/23/53/782372353.db2.gz MHJHWZPCYRNDJS-MIZYBKAJSA-N 1 1 309.370 -1.760 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 ZINC001114739937 782372637 /nfs/dbraw/zinc/37/26/37/782372637.db2.gz YBYRJXLRQAXUQB-MSRIBSCDSA-N 1 1 319.365 -1.092 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CCNC1=O ZINC001114826393 782379002 /nfs/dbraw/zinc/37/90/02/782379002.db2.gz JVPAEIREYDRCSG-CWOKWUPOSA-N 1 1 323.353 -2.246 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CCNC1=O ZINC001114826393 782379006 /nfs/dbraw/zinc/37/90/06/782379006.db2.gz JVPAEIREYDRCSG-CWOKWUPOSA-N 1 1 323.353 -2.246 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114835567 782380413 /nfs/dbraw/zinc/38/04/13/782380413.db2.gz MEEGBFKOKDWAND-OQEOFVATSA-N 1 1 308.382 -1.321 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114835567 782380419 /nfs/dbraw/zinc/38/04/19/782380419.db2.gz MEEGBFKOKDWAND-OQEOFVATSA-N 1 1 308.382 -1.321 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114843054 782381415 /nfs/dbraw/zinc/38/14/15/782381415.db2.gz HBTUVIIIYHVROW-WUWHUORYSA-N 1 1 320.397 -1.071 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001114841385 782381446 /nfs/dbraw/zinc/38/14/46/782381446.db2.gz VIBGENMWCZHGKY-QISWUMQESA-N 1 1 322.365 -1.219 20 0 DAADMO NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276333706 782381474 /nfs/dbraw/zinc/38/14/74/782381474.db2.gz JHGMCXQGSPIULP-QWRGUYRKSA-N 1 1 324.381 -1.115 20 0 DAADMO NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276333706 782381481 /nfs/dbraw/zinc/38/14/81/782381481.db2.gz JHGMCXQGSPIULP-QWRGUYRKSA-N 1 1 324.381 -1.115 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114809718 782378529 /nfs/dbraw/zinc/37/85/29/782378529.db2.gz FPSLYZKXUACZBR-XQHKEYJVSA-N 1 1 302.371 -1.297 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114810035 782378719 /nfs/dbraw/zinc/37/87/19/782378719.db2.gz KXTAKSCXJVSWQE-QNWHQSFQSA-N 1 1 309.370 -1.014 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114888943 782387017 /nfs/dbraw/zinc/38/70/17/782387017.db2.gz QNWVFVOQTDOXFH-QHOPCYEYSA-N 1 1 304.372 -2.544 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114888943 782387023 /nfs/dbraw/zinc/38/70/23/782387023.db2.gz QNWVFVOQTDOXFH-QHOPCYEYSA-N 1 1 304.372 -2.544 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNS(=O)(=O)N(C)C ZINC001114894233 782387354 /nfs/dbraw/zinc/38/73/54/782387354.db2.gz CHCDAGHYPMJMGT-IAZYJMLFSA-N 1 1 320.415 -1.925 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114894901 782387693 /nfs/dbraw/zinc/38/76/93/782387693.db2.gz NYPYJLMLWQYWJL-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114894901 782387703 /nfs/dbraw/zinc/38/77/03/782387703.db2.gz NYPYJLMLWQYWJL-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C(N)=O ZINC001114931680 782388766 /nfs/dbraw/zinc/38/87/66/782388766.db2.gz AGWGIDFQESJBSU-SRRSOLGSSA-N 1 1 312.370 -2.205 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001041056377 782389100 /nfs/dbraw/zinc/38/91/00/782389100.db2.gz BQUNODMZQJOPMV-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935812 782391082 /nfs/dbraw/zinc/39/10/82/782391082.db2.gz JEBYBBJSOABQON-DKIAZLNASA-N 1 1 305.338 -1.021 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001095935812 782391093 /nfs/dbraw/zinc/39/10/93/782391093.db2.gz JEBYBBJSOABQON-DKIAZLNASA-N 1 1 305.338 -1.021 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001095935950 782391285 /nfs/dbraw/zinc/39/12/85/782391285.db2.gz PUJJQITYWXNICS-QCZKYFFMSA-N 1 1 317.349 -1.007 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001095935950 782391290 /nfs/dbraw/zinc/39/12/90/782391290.db2.gz PUJJQITYWXNICS-QCZKYFFMSA-N 1 1 317.349 -1.007 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114885847 782386529 /nfs/dbraw/zinc/38/65/29/782386529.db2.gz QXWZVGZTRGTKGL-GDGBQDQQSA-N 1 1 306.326 -1.807 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC001114885847 782386540 /nfs/dbraw/zinc/38/65/40/782386540.db2.gz QXWZVGZTRGTKGL-GDGBQDQQSA-N 1 1 306.326 -1.807 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)O1 ZINC001043067153 782395921 /nfs/dbraw/zinc/39/59/21/782395921.db2.gz JXAXXWNPFCBJAT-ZYHUDNBSSA-N 1 1 323.401 -1.428 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(Cc3nnnn3C)C2)O1 ZINC001043067153 782395930 /nfs/dbraw/zinc/39/59/30/782395930.db2.gz JXAXXWNPFCBJAT-ZYHUDNBSSA-N 1 1 323.401 -1.428 20 0 DAADMO Cc1nc(CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001042970662 782396330 /nfs/dbraw/zinc/39/63/30/782396330.db2.gz UMOBJEUSZUPTLY-UHFFFAOYSA-N 1 1 324.385 -1.703 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001043163417 782396988 /nfs/dbraw/zinc/39/69/88/782396988.db2.gz QKVINGHJAZDMSO-GFCCVEGCSA-N 1 1 312.414 -1.062 20 0 DAADMO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001043158426 782397884 /nfs/dbraw/zinc/39/78/84/782397884.db2.gz YBJBSNDVLMQGNU-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042880724 782392174 /nfs/dbraw/zinc/39/21/74/782392174.db2.gz MGRWUYLFMQIUEE-VXGBXAGGSA-N 1 1 313.398 -1.356 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001043704799 782403139 /nfs/dbraw/zinc/40/31/39/782403139.db2.gz QGAAFSCADKCNII-VXGBXAGGSA-N 1 1 322.369 -1.932 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cccnn2)CC1 ZINC001098508023 782403582 /nfs/dbraw/zinc/40/35/82/782403582.db2.gz RLJHGSGWXWRBEQ-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001095956323 782404067 /nfs/dbraw/zinc/40/40/67/782404067.db2.gz DBASBMBGHUIPAD-UTLUCORTSA-N 1 1 308.338 -1.658 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001095956323 782404071 /nfs/dbraw/zinc/40/40/71/782404071.db2.gz DBASBMBGHUIPAD-UTLUCORTSA-N 1 1 308.338 -1.658 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)S1(=O)=O ZINC001096146280 782404968 /nfs/dbraw/zinc/40/49/68/782404968.db2.gz VEDIFCAEXVHSQM-NOOOWODRSA-N 1 1 317.411 -1.266 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)S1(=O)=O ZINC001096146280 782404974 /nfs/dbraw/zinc/40/49/74/782404974.db2.gz VEDIFCAEXVHSQM-NOOOWODRSA-N 1 1 317.411 -1.266 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096183168 782405627 /nfs/dbraw/zinc/40/56/27/782405627.db2.gz SAMOMTKBFWOJDI-JXUBOQSCSA-N 1 1 323.353 -1.867 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001096183168 782405632 /nfs/dbraw/zinc/40/56/32/782405632.db2.gz SAMOMTKBFWOJDI-JXUBOQSCSA-N 1 1 323.353 -1.867 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047628359 782406712 /nfs/dbraw/zinc/40/67/12/782406712.db2.gz FBPSMCTZTDPSHP-RYUDHWBXSA-N 1 1 309.370 -1.559 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001047627659 782407045 /nfs/dbraw/zinc/40/70/45/782407045.db2.gz SUGORNWTDOSTQL-SRVKXCTJSA-N 1 1 323.401 -1.835 20 0 DAADMO CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047626374 782407149 /nfs/dbraw/zinc/40/71/49/782407149.db2.gz BGCYBTQYPVIGLY-AGIUHOORSA-N 1 1 312.414 -1.470 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC001096256894 782408773 /nfs/dbraw/zinc/40/87/73/782408773.db2.gz UEALUIFIQHIZFV-UHFFFAOYSA-N 1 1 310.333 -1.271 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047630637 782408795 /nfs/dbraw/zinc/40/87/95/782408795.db2.gz WCJXJVDFVLXMTI-WXHSDQCUSA-N 1 1 323.397 -1.170 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047630496 782408825 /nfs/dbraw/zinc/40/88/25/782408825.db2.gz UIGVAYDXOUJELM-AVGNSLFASA-N 1 1 321.381 -1.416 20 0 DAADMO C[C@H](CC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001100329358 782411303 /nfs/dbraw/zinc/41/13/03/782411303.db2.gz AGBPOTDYAHROSH-XNWIYYODSA-N 1 1 324.389 -1.359 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001047630380 782408059 /nfs/dbraw/zinc/40/80/59/782408059.db2.gz PVKPZLICIUFXOR-STQMWFEESA-N 1 1 323.397 -1.217 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047629020 782408349 /nfs/dbraw/zinc/40/83/49/782408349.db2.gz PNAGMTMEGLUCOD-RDBSUJKOSA-N 1 1 322.413 -1.267 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047630495 782408469 /nfs/dbraw/zinc/40/84/69/782408469.db2.gz UIGVAYDXOUJELM-AGIUHOORSA-N 1 1 321.381 -1.416 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC001096256442 782408506 /nfs/dbraw/zinc/40/85/06/782408506.db2.gz ACKFSIFDLMSHIL-UHFFFAOYSA-N 1 1 310.333 -1.271 20 0 DAADMO NC(=O)C(=O)NCCC[NH+]1CCN(c2cnc(F)cn2)CC1 ZINC001096256691 782408549 /nfs/dbraw/zinc/40/85/49/782408549.db2.gz MWKOFOGXZLVSJT-UHFFFAOYSA-N 1 1 310.333 -1.271 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096461184 782412245 /nfs/dbraw/zinc/41/22/45/782412245.db2.gz LCNWGYBDLAUDJM-RFGFWPKPSA-N 1 1 311.382 -1.053 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)O)c(=O)n1C ZINC001096460631 782413106 /nfs/dbraw/zinc/41/31/06/782413106.db2.gz ZKQLRULVQAOVJY-XEZLXBQYSA-N 1 1 323.397 -1.007 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622989 782413547 /nfs/dbraw/zinc/41/35/47/782413547.db2.gz YQJMQWATSHHTBO-ZNSHCXBVSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001096622989 782413554 /nfs/dbraw/zinc/41/35/54/782413554.db2.gz YQJMQWATSHHTBO-ZNSHCXBVSA-N 1 1 321.381 -1.067 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001096503190 782413922 /nfs/dbraw/zinc/41/39/22/782413922.db2.gz CXQUZMBNWKZSPJ-WYUUTHIRSA-N 1 1 324.381 -1.017 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096583372 782414477 /nfs/dbraw/zinc/41/44/77/782414477.db2.gz KWIYDMLIYGMXSQ-VOAKCMCISA-N 1 1 310.398 -1.086 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(N)=O)C1 ZINC001096583372 782414484 /nfs/dbraw/zinc/41/44/84/782414484.db2.gz KWIYDMLIYGMXSQ-VOAKCMCISA-N 1 1 310.398 -1.086 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096574988 782414521 /nfs/dbraw/zinc/41/45/21/782414521.db2.gz NOSDTVPXRGEPCF-ZOBORPQBSA-N 1 1 311.382 -1.053 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1=O ZINC001096503688 782415035 /nfs/dbraw/zinc/41/50/35/782415035.db2.gz MQUNCQQOMGQZNS-WOPDTQHZSA-N 1 1 324.381 -1.016 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001097244612 782421771 /nfs/dbraw/zinc/42/17/71/782421771.db2.gz GTYSNCFVPGNYIW-ZNSHCXBVSA-N 1 1 310.354 -1.048 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982326 782418134 /nfs/dbraw/zinc/41/81/34/782418134.db2.gz YGBPWIWBNQZPCI-DBIOUOCHSA-N 1 1 322.369 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982326 782418140 /nfs/dbraw/zinc/41/81/40/782418140.db2.gz YGBPWIWBNQZPCI-DBIOUOCHSA-N 1 1 322.369 -1.031 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097022075 782418442 /nfs/dbraw/zinc/41/84/42/782418442.db2.gz LVZSNJIZLITJDT-DBIOUOCHSA-N 1 1 310.354 -1.096 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097022075 782418453 /nfs/dbraw/zinc/41/84/53/782418453.db2.gz LVZSNJIZLITJDT-DBIOUOCHSA-N 1 1 310.354 -1.096 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982033 782418518 /nfs/dbraw/zinc/41/85/18/782418518.db2.gz NRXDZNVHIDDYAN-JLIMGVALSA-N 1 1 308.342 -1.421 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982033 782418525 /nfs/dbraw/zinc/41/85/25/782418525.db2.gz NRXDZNVHIDDYAN-JLIMGVALSA-N 1 1 308.342 -1.421 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081615 782419502 /nfs/dbraw/zinc/41/95/02/782419502.db2.gz JTVSPCGJAWUOBN-ZDCRXTMVSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081615 782419510 /nfs/dbraw/zinc/41/95/10/782419510.db2.gz JTVSPCGJAWUOBN-ZDCRXTMVSA-N 1 1 307.358 -1.471 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081627 782420180 /nfs/dbraw/zinc/42/01/80/782420180.db2.gz KCYSKXXBNBRVSW-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081627 782420187 /nfs/dbraw/zinc/42/01/87/782420187.db2.gz KCYSKXXBNBRVSW-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001097263768 782421423 /nfs/dbraw/zinc/42/14/23/782421423.db2.gz ATQDGPBEWKXOFW-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2 ZINC001097263768 782421432 /nfs/dbraw/zinc/42/14/32/782421432.db2.gz ATQDGPBEWKXOFW-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)c1=O ZINC001097379359 782421628 /nfs/dbraw/zinc/42/16/28/782421628.db2.gz VTNWQLWWLLZXFO-UTUOFQBUSA-N 1 1 309.370 -1.314 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001096778000 782415614 /nfs/dbraw/zinc/41/56/14/782415614.db2.gz BXKDBDIVLGXYJK-UTUOFQBUSA-N 1 1 319.369 -1.373 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001096778000 782415621 /nfs/dbraw/zinc/41/56/21/782415621.db2.gz BXKDBDIVLGXYJK-UTUOFQBUSA-N 1 1 319.369 -1.373 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097422510 782422282 /nfs/dbraw/zinc/42/22/82/782422282.db2.gz CRBRVNRISHSUMS-QCNOEVLYSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001097422510 782422300 /nfs/dbraw/zinc/42/23/00/782422300.db2.gz CRBRVNRISHSUMS-QCNOEVLYSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)n1 ZINC001097659065 782424126 /nfs/dbraw/zinc/42/41/26/782424126.db2.gz GYLZBEZTPJXABN-MXWKQRLJSA-N 1 1 317.357 -1.163 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)n1 ZINC001097659065 782424127 /nfs/dbraw/zinc/42/41/27/782424127.db2.gz GYLZBEZTPJXABN-MXWKQRLJSA-N 1 1 317.357 -1.163 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001097649289 782424165 /nfs/dbraw/zinc/42/41/65/782424165.db2.gz KAZXEFLTKDJUSN-WYUUTHIRSA-N 1 1 323.397 -1.180 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001097649289 782424169 /nfs/dbraw/zinc/42/41/69/782424169.db2.gz KAZXEFLTKDJUSN-WYUUTHIRSA-N 1 1 323.397 -1.180 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001097633524 782424600 /nfs/dbraw/zinc/42/46/00/782424600.db2.gz QKCNKZHQMMGHRR-IEBDPFPHSA-N 1 1 308.338 -1.187 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097755049 782425331 /nfs/dbraw/zinc/42/53/31/782425331.db2.gz CBMFDZRARYOKEM-ZNSHCXBVSA-N 1 1 309.370 -1.523 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001097755049 782425337 /nfs/dbraw/zinc/42/53/37/782425337.db2.gz CBMFDZRARYOKEM-ZNSHCXBVSA-N 1 1 309.370 -1.523 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738819 782425580 /nfs/dbraw/zinc/42/55/80/782425580.db2.gz JEBYBBJSOABQON-SJQPAMGKSA-N 1 1 305.338 -1.021 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 ZINC001097738819 782425588 /nfs/dbraw/zinc/42/55/88/782425588.db2.gz JEBYBBJSOABQON-SJQPAMGKSA-N 1 1 305.338 -1.021 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001097739480 782425974 /nfs/dbraw/zinc/42/59/74/782425974.db2.gz PUJJQITYWXNICS-LSKIRQOJSA-N 1 1 317.349 -1.007 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001097739480 782425978 /nfs/dbraw/zinc/42/59/78/782425978.db2.gz PUJJQITYWXNICS-LSKIRQOJSA-N 1 1 317.349 -1.007 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C2 ZINC001097673220 782426243 /nfs/dbraw/zinc/42/62/43/782426243.db2.gz QRNCTJNMWUITJU-KXNHARMFSA-N 1 1 308.382 -1.068 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C2 ZINC001097673220 782426250 /nfs/dbraw/zinc/42/62/50/782426250.db2.gz QRNCTJNMWUITJU-KXNHARMFSA-N 1 1 308.382 -1.068 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768605 782427403 /nfs/dbraw/zinc/42/74/03/782427403.db2.gz NZVWNTIDSYGAPP-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768605 782427407 /nfs/dbraw/zinc/42/74/07/782427407.db2.gz NZVWNTIDSYGAPP-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768606 782427430 /nfs/dbraw/zinc/42/74/30/782427430.db2.gz NZVWNTIDSYGAPP-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768606 782427432 /nfs/dbraw/zinc/42/74/32/782427432.db2.gz NZVWNTIDSYGAPP-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001097758604 782427788 /nfs/dbraw/zinc/42/77/88/782427788.db2.gz URIPEOHGCQWTHY-WYUUTHIRSA-N 1 1 319.369 -1.319 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768604 782427829 /nfs/dbraw/zinc/42/78/29/782427829.db2.gz NZVWNTIDSYGAPP-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768604 782427831 /nfs/dbraw/zinc/42/78/31/782427831.db2.gz NZVWNTIDSYGAPP-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097861669 782429267 /nfs/dbraw/zinc/42/92/67/782429267.db2.gz RAJXKHIXXIIFON-ZIQFBCGOSA-N 1 1 308.382 -1.083 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001097861669 782429273 /nfs/dbraw/zinc/42/92/73/782429273.db2.gz RAJXKHIXXIIFON-ZIQFBCGOSA-N 1 1 308.382 -1.083 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H](N2CCN(CCO)CC2)C1 ZINC001052098462 782432081 /nfs/dbraw/zinc/43/20/81/782432081.db2.gz JYYIKDWDLHIFRH-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CC[C@H](N2CCN(CCO)CC2)C1 ZINC001052098459 782432543 /nfs/dbraw/zinc/43/25/43/782432543.db2.gz JYYIKDWDLHIFRH-KGLIPLIRSA-N 1 1 324.425 -1.134 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098053541 782433753 /nfs/dbraw/zinc/43/37/53/782433753.db2.gz AKYKENMKSANOFH-BBBLOLIVSA-N 1 1 323.353 -1.994 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001098053541 782433760 /nfs/dbraw/zinc/43/37/60/782433760.db2.gz AKYKENMKSANOFH-BBBLOLIVSA-N 1 1 323.353 -1.994 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069905330 782434891 /nfs/dbraw/zinc/43/48/91/782434891.db2.gz QXSJJLSMOXDUKT-RTXFEEFZSA-N 1 1 319.369 -1.034 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069905076 782435459 /nfs/dbraw/zinc/43/54/59/782435459.db2.gz CWPASDRMQRZGHN-NEPJUHHUSA-N 1 1 305.342 -1.422 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069905076 782435463 /nfs/dbraw/zinc/43/54/63/782435463.db2.gz CWPASDRMQRZGHN-NEPJUHHUSA-N 1 1 305.342 -1.422 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069912013 782436298 /nfs/dbraw/zinc/43/62/98/782436298.db2.gz IQUYICNNNGFGMA-AGIUHOORSA-N 1 1 324.385 -2.058 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069912013 782436302 /nfs/dbraw/zinc/43/63/02/782436302.db2.gz IQUYICNNNGFGMA-AGIUHOORSA-N 1 1 324.385 -2.058 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)cc1=O ZINC001069916134 782436346 /nfs/dbraw/zinc/43/63/46/782436346.db2.gz FXKMKYNACYZOKF-ZJUUUORDSA-N 1 1 322.325 -1.783 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)cc1=O ZINC001069916134 782436349 /nfs/dbraw/zinc/43/63/49/782436349.db2.gz FXKMKYNACYZOKF-ZJUUUORDSA-N 1 1 322.325 -1.783 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](n2ccnn2)C1 ZINC001069911874 782437374 /nfs/dbraw/zinc/43/73/74/782437374.db2.gz BIYMBAQGBASCIN-FRRDWIJNSA-N 1 1 308.386 -1.030 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001098308451 782439733 /nfs/dbraw/zinc/43/97/33/782439733.db2.gz LCNWGYBDLAUDJM-MQYQWHSLSA-N 1 1 311.382 -1.053 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001098344078 782439867 /nfs/dbraw/zinc/43/98/67/782439867.db2.gz XYFLNLHVSUBTLW-MXWKQRLJSA-N 1 1 310.354 -1.094 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001098338200 782440148 /nfs/dbraw/zinc/44/01/48/782440148.db2.gz PRCWVNYGKHZRDV-WYUUTHIRSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001098338200 782440154 /nfs/dbraw/zinc/44/01/54/782440154.db2.gz PRCWVNYGKHZRDV-WYUUTHIRSA-N 1 1 304.354 -1.112 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)nn1 ZINC001098463920 782441808 /nfs/dbraw/zinc/44/18/08/782441808.db2.gz IOSZAKKDHSTMLG-KKZNHRDASA-N 1 1 308.342 -1.909 20 0 DAADMO COCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 ZINC001098601655 782444363 /nfs/dbraw/zinc/44/43/63/782444363.db2.gz TYWWNTSQMQXBKY-CYBMUJFWSA-N 1 1 324.385 -1.076 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001099613106 782453507 /nfs/dbraw/zinc/45/35/07/782453507.db2.gz DUXNSAGVHMNPLJ-STQMWFEESA-N 1 1 317.386 -1.663 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099611426 782453796 /nfs/dbraw/zinc/45/37/96/782453796.db2.gz QRZKQCXKOAYCKF-NWDGAFQWSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(Cn1ncnn1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001098837144 782445563 /nfs/dbraw/zinc/44/55/63/782445563.db2.gz MNZPYPYQPXTHPL-MJVIPROJSA-N 1 1 319.369 -1.468 20 0 DAADMO O=C(Cc1nnc[nH]1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098767183 782445695 /nfs/dbraw/zinc/44/56/95/782445695.db2.gz KNERMQGIEQCXGZ-LLVKDONJSA-N 1 1 320.357 -1.506 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cnnn2)C1 ZINC001098720820 782445757 /nfs/dbraw/zinc/44/57/57/782445757.db2.gz RECOVHDHUFHEPJ-KWBADKCTSA-N 1 1 307.358 -1.482 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098706137 782446227 /nfs/dbraw/zinc/44/62/27/782446227.db2.gz SHVNVZHXJQFMBZ-WDEREUQCSA-N 1 1 323.357 -2.185 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711941 782446528 /nfs/dbraw/zinc/44/65/28/782446528.db2.gz ZHHXMUYGNOGMNR-MWLCHTKSSA-N 1 1 310.358 -1.339 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098746891 782446610 /nfs/dbraw/zinc/44/66/10/782446610.db2.gz ZIIYSUKWOXVQON-LBPRGKRZSA-N 1 1 324.385 -1.388 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001098800828 782446637 /nfs/dbraw/zinc/44/66/37/782446637.db2.gz UETYDHABFWUCBB-HUBLWGQQSA-N 1 1 310.398 -1.227 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001098800828 782446641 /nfs/dbraw/zinc/44/66/41/782446641.db2.gz UETYDHABFWUCBB-HUBLWGQQSA-N 1 1 310.398 -1.227 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098711940 782446690 /nfs/dbraw/zinc/44/66/90/782446690.db2.gz ZHHXMUYGNOGMNR-KOLCDFICSA-N 1 1 310.358 -1.339 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001098836949 782446756 /nfs/dbraw/zinc/44/67/56/782446756.db2.gz KCYFQCQMLPSKQS-GWCFXTLKSA-N 1 1 307.358 -1.610 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098801578 782446786 /nfs/dbraw/zinc/44/67/86/782446786.db2.gz YBFMOLKTJZNLDI-ZANVPECISA-N 1 1 308.342 -1.560 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098801578 782446792 /nfs/dbraw/zinc/44/67/92/782446792.db2.gz YBFMOLKTJZNLDI-ZANVPECISA-N 1 1 308.342 -1.560 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098976363 782447563 /nfs/dbraw/zinc/44/75/63/782447563.db2.gz ODWOFPHCLAUFGP-HZMBPMFUSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098976363 782447575 /nfs/dbraw/zinc/44/75/75/782447575.db2.gz ODWOFPHCLAUFGP-HZMBPMFUSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098980778 782447632 /nfs/dbraw/zinc/44/76/32/782447632.db2.gz LSLCYELFWJCNKS-RVBZMBCESA-N 1 1 307.358 -1.332 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098980778 782447638 /nfs/dbraw/zinc/44/76/38/782447638.db2.gz LSLCYELFWJCNKS-RVBZMBCESA-N 1 1 307.358 -1.332 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001099009835 782447891 /nfs/dbraw/zinc/44/78/91/782447891.db2.gz PBJDMRJIQHZVFJ-ZOWXZIJZSA-N 1 1 321.381 -1.300 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)CC1=O ZINC001098862769 782447950 /nfs/dbraw/zinc/44/79/50/782447950.db2.gz DXJTWBWIGPOGDA-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)CC1=O ZINC001098862769 782447954 /nfs/dbraw/zinc/44/79/54/782447954.db2.gz DXJTWBWIGPOGDA-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001099078427 782447965 /nfs/dbraw/zinc/44/79/65/782447965.db2.gz KKBOSBHHHAWTBS-BONVTDFDSA-N 1 1 322.365 -1.505 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001099078427 782447968 /nfs/dbraw/zinc/44/79/68/782447968.db2.gz KKBOSBHHHAWTBS-BONVTDFDSA-N 1 1 322.365 -1.505 20 0 DAADMO CN1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1=O ZINC001098982936 782448048 /nfs/dbraw/zinc/44/80/48/782448048.db2.gz AKTQSGXHNPHVAL-RWSFTLGLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1=O ZINC001098982936 782448050 /nfs/dbraw/zinc/44/80/50/782448050.db2.gz AKTQSGXHNPHVAL-RWSFTLGLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001098915094 782448127 /nfs/dbraw/zinc/44/81/27/782448127.db2.gz ZNAAJDZKTGGQHT-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001098915094 782448129 /nfs/dbraw/zinc/44/81/29/782448129.db2.gz ZNAAJDZKTGGQHT-PGUXBMHVSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001099025062 782448137 /nfs/dbraw/zinc/44/81/37/782448137.db2.gz MAZFETGKUDKURO-ZVXAKGHKSA-N 1 1 324.381 -1.525 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001099025062 782448139 /nfs/dbraw/zinc/44/81/39/782448139.db2.gz MAZFETGKUDKURO-ZVXAKGHKSA-N 1 1 324.381 -1.525 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001098974088 782448252 /nfs/dbraw/zinc/44/82/52/782448252.db2.gz GHIOVLIMKXLIII-PGUXBMHVSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001098974088 782448257 /nfs/dbraw/zinc/44/82/57/782448257.db2.gz GHIOVLIMKXLIII-PGUXBMHVSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1CCOCC1 ZINC001099610780 782454129 /nfs/dbraw/zinc/45/41/29/782454129.db2.gz LCEPDBFEVOUZGU-KGLIPLIRSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001099003234 782449043 /nfs/dbraw/zinc/44/90/43/782449043.db2.gz FHRVQESNULLJFG-BHDSKKPTSA-N 1 1 309.370 -1.616 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001099003234 782449045 /nfs/dbraw/zinc/44/90/45/782449045.db2.gz FHRVQESNULLJFG-BHDSKKPTSA-N 1 1 309.370 -1.616 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001098974473 782449082 /nfs/dbraw/zinc/44/90/82/782449082.db2.gz VXOWXRDPMWQWOZ-BBRMVZONSA-N 1 1 324.425 -1.229 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F)C(N)=O ZINC001099226611 782449345 /nfs/dbraw/zinc/44/93/45/782449345.db2.gz CIVIEYWQGBTYHS-FSDSQADBSA-N 1 1 310.276 -1.286 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001099188335 782449520 /nfs/dbraw/zinc/44/95/20/782449520.db2.gz HRUKTRMDWZQRIA-FTGAXOIBSA-N 1 1 322.365 -1.505 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001099188335 782449525 /nfs/dbraw/zinc/44/95/25/782449525.db2.gz HRUKTRMDWZQRIA-FTGAXOIBSA-N 1 1 322.365 -1.505 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001099188336 782449634 /nfs/dbraw/zinc/44/96/34/782449634.db2.gz HRUKTRMDWZQRIA-YHAQOWFVSA-N 1 1 322.365 -1.505 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001099188336 782449640 /nfs/dbraw/zinc/44/96/40/782449640.db2.gz HRUKTRMDWZQRIA-YHAQOWFVSA-N 1 1 322.365 -1.505 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001099274047 782450177 /nfs/dbraw/zinc/45/01/77/782450177.db2.gz SXIDGMWIZMYPRQ-IYSWYEEDSA-N 1 1 306.248 -1.118 20 0 DAADMO CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C(F)(F)F)C1=O ZINC001099301018 782450227 /nfs/dbraw/zinc/45/02/27/782450227.db2.gz ZNNVBKNLFPDSFK-GJMOJQLCSA-N 1 1 322.287 -1.319 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C(F)(F)F ZINC001099334333 782450338 /nfs/dbraw/zinc/45/03/38/782450338.db2.gz NTSZEEAVWCHOEG-GJMOJQLCSA-N 1 1 322.287 -1.271 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099297190 782450409 /nfs/dbraw/zinc/45/04/09/782450409.db2.gz IKLLCLKDNLBOMI-DSYKOEDSSA-N 1 1 308.260 -1.661 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001099152613 782450539 /nfs/dbraw/zinc/45/05/39/782450539.db2.gz PSLQJYJRMDLVBS-HZMBPMFUSA-N 1 1 310.354 -1.499 20 0 DAADMO CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(N)=O)C[C@H]2C(F)(F)F)C1=O ZINC001099301017 782450692 /nfs/dbraw/zinc/45/06/92/782450692.db2.gz ZNNVBKNLFPDSFK-BWZBUEFSSA-N 1 1 322.287 -1.319 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001099298551 782450984 /nfs/dbraw/zinc/45/09/84/782450984.db2.gz ZMBOTJWMVNKJDJ-BWZBUEFSSA-N 1 1 322.287 -1.271 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099403443 782451622 /nfs/dbraw/zinc/45/16/22/782451622.db2.gz XPWVRGXSWOSESA-ZDCRXTMVSA-N 1 1 309.370 -1.691 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099613337 782454349 /nfs/dbraw/zinc/45/43/49/782454349.db2.gz HINUHRYWFDWHCU-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099520014 782451789 /nfs/dbraw/zinc/45/17/89/782451789.db2.gz LIKWUGCBKVUBDA-JLIMGVALSA-N 1 1 323.353 -2.165 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(N)=O)C1 ZINC001099403441 782452368 /nfs/dbraw/zinc/45/23/68/782452368.db2.gz XPWVRGXSWOSESA-NAKRPEOUSA-N 1 1 309.370 -1.691 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001099519643 782452443 /nfs/dbraw/zinc/45/24/43/782452443.db2.gz JABIHNGIUDDDLV-USZNOCQGSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099403442 782452491 /nfs/dbraw/zinc/45/24/91/782452491.db2.gz XPWVRGXSWOSESA-VLEAKVRGSA-N 1 1 309.370 -1.691 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607314 782454468 /nfs/dbraw/zinc/45/44/68/782454468.db2.gz KYZDGVLZKLFNJM-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607314 782454475 /nfs/dbraw/zinc/45/44/75/782454475.db2.gz KYZDGVLZKLFNJM-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099613335 782453016 /nfs/dbraw/zinc/45/30/16/782453016.db2.gz HINUHRYWFDWHCU-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099613212 782453031 /nfs/dbraw/zinc/45/30/31/782453031.db2.gz GBNFDJBTDOLLGC-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001099650807 782461630 /nfs/dbraw/zinc/46/16/30/782461630.db2.gz KUNWLOPNKUCBBS-NWDGAFQWSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099630043 782457222 /nfs/dbraw/zinc/45/72/22/782457222.db2.gz LIGBKNRPDQOCPY-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099630043 782457227 /nfs/dbraw/zinc/45/72/27/782457227.db2.gz LIGBKNRPDQOCPY-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630647 782457287 /nfs/dbraw/zinc/45/72/87/782457287.db2.gz PQPCDYVEAQSTDI-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099630647 782457289 /nfs/dbraw/zinc/45/72/89/782457289.db2.gz PQPCDYVEAQSTDI-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099630126 782457487 /nfs/dbraw/zinc/45/74/87/782457487.db2.gz MIVWYLPHNGWOCS-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099630126 782457490 /nfs/dbraw/zinc/45/74/90/782457490.db2.gz MIVWYLPHNGWOCS-CHWSQXEVSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099629904 782457604 /nfs/dbraw/zinc/45/76/04/782457604.db2.gz JGEGQHFUXBFHQX-VXGBXAGGSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099629904 782457606 /nfs/dbraw/zinc/45/76/06/782457606.db2.gz JGEGQHFUXBFHQX-VXGBXAGGSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099631396 782457703 /nfs/dbraw/zinc/45/77/03/782457703.db2.gz WFHNHUWWHCOPSN-WDEREUQCSA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001099629742 782457864 /nfs/dbraw/zinc/45/78/64/782457864.db2.gz GYZZPEYVMGHILP-KGLIPLIRSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099637632 782458769 /nfs/dbraw/zinc/45/87/69/782458769.db2.gz YGLOASGWFBLRGS-OCCSQVGLSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001099637632 782458773 /nfs/dbraw/zinc/45/87/73/782458773.db2.gz YGLOASGWFBLRGS-OCCSQVGLSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001099637630 782459338 /nfs/dbraw/zinc/45/93/38/782459338.db2.gz YGLOASGWFBLRGS-GXTWGEPZSA-N 1 1 321.381 -1.027 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001099637630 782459339 /nfs/dbraw/zinc/45/93/39/782459339.db2.gz YGLOASGWFBLRGS-GXTWGEPZSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650822 782460679 /nfs/dbraw/zinc/46/06/79/782460679.db2.gz LDIWTHURHLYEEM-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650822 782460686 /nfs/dbraw/zinc/46/06/86/782460686.db2.gz LDIWTHURHLYEEM-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651005 782461077 /nfs/dbraw/zinc/46/10/77/782461077.db2.gz OAAHGAPOYXLIOX-ZYHUDNBSSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651005 782461084 /nfs/dbraw/zinc/46/10/84/782461084.db2.gz OAAHGAPOYXLIOX-ZYHUDNBSSA-N 1 1 322.369 -1.495 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651032 782461477 /nfs/dbraw/zinc/46/14/77/782461477.db2.gz OJCSITZBWWEPSH-QWRGUYRKSA-N 1 1 302.375 -1.369 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099663890 782463579 /nfs/dbraw/zinc/46/35/79/782463579.db2.gz VFCNRVMBDWWXEJ-STQMWFEESA-N 1 1 312.370 -1.557 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001099651780 782463838 /nfs/dbraw/zinc/46/38/38/782463838.db2.gz WSMIIQAKOZZNER-RYUDHWBXSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099663098 782464200 /nfs/dbraw/zinc/46/42/00/782464200.db2.gz JAXUCCOVTDRQSF-OLZOCXBDSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001099663098 782464208 /nfs/dbraw/zinc/46/42/08/782464208.db2.gz JAXUCCOVTDRQSF-OLZOCXBDSA-N 1 1 323.397 -1.041 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666035 782465491 /nfs/dbraw/zinc/46/54/91/782465491.db2.gz OYMRNCVWQJSUPC-NEPJUHHUSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666035 782465497 /nfs/dbraw/zinc/46/54/97/782465497.db2.gz OYMRNCVWQJSUPC-NEPJUHHUSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666036 782465967 /nfs/dbraw/zinc/46/59/67/782465967.db2.gz OYMRNCVWQJSUPC-NWDGAFQWSA-N 1 1 324.385 -1.552 20 0 DAADMO Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666036 782465972 /nfs/dbraw/zinc/46/59/72/782465972.db2.gz OYMRNCVWQJSUPC-NWDGAFQWSA-N 1 1 324.385 -1.552 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678543 782466512 /nfs/dbraw/zinc/46/65/12/782466512.db2.gz MFELNJWCIKRWGG-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678543 782466518 /nfs/dbraw/zinc/46/65/18/782466518.db2.gz MFELNJWCIKRWGG-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099669111 782467164 /nfs/dbraw/zinc/46/71/64/782467164.db2.gz MSLVJNYDCOASCF-VHSXEESVSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099669111 782467167 /nfs/dbraw/zinc/46/71/67/782467167.db2.gz MSLVJNYDCOASCF-VHSXEESVSA-N 1 1 311.342 -1.297 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650634 782461986 /nfs/dbraw/zinc/46/19/86/782461986.db2.gz ICMVCFGQLIQUFM-NEPJUHHUSA-N 1 1 324.385 -1.818 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099652526 782462624 /nfs/dbraw/zinc/46/26/24/782462624.db2.gz ZXRWNFSNZVROAB-STQMWFEESA-N 1 1 312.370 -1.406 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665119 782463189 /nfs/dbraw/zinc/46/31/89/782463189.db2.gz AWNDWFIHFDVTBM-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099665119 782463200 /nfs/dbraw/zinc/46/32/00/782463200.db2.gz AWNDWFIHFDVTBM-GHMZBOCLSA-N 1 1 311.342 -1.297 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099743678 782474617 /nfs/dbraw/zinc/47/46/17/782474617.db2.gz NMTCDZYGTKTJDD-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099743678 782474621 /nfs/dbraw/zinc/47/46/21/782474621.db2.gz NMTCDZYGTKTJDD-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099740734 782474767 /nfs/dbraw/zinc/47/47/67/782474767.db2.gz IUKZPEMLWRUOBL-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001099741348 782475473 /nfs/dbraw/zinc/47/54/73/782475473.db2.gz RORANVJBMGDXLJ-QWRGUYRKSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001099741348 782475478 /nfs/dbraw/zinc/47/54/78/782475478.db2.gz RORANVJBMGDXLJ-QWRGUYRKSA-N 1 1 312.370 -1.966 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099689589 782468422 /nfs/dbraw/zinc/46/84/22/782468422.db2.gz HBKIGIXCYYSBGK-OLZOCXBDSA-N 1 1 324.385 -1.692 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnsn1 ZINC001099689131 782469289 /nfs/dbraw/zinc/46/92/89/782469289.db2.gz CWPJXXSBJBZEMY-KOLCDFICSA-N 1 1 316.383 -1.288 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099704869 782469483 /nfs/dbraw/zinc/46/94/83/782469483.db2.gz RQEGUIZCIAHLJQ-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099704869 782469488 /nfs/dbraw/zinc/46/94/88/782469488.db2.gz RQEGUIZCIAHLJQ-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099740737 782475710 /nfs/dbraw/zinc/47/57/10/782475710.db2.gz IUKZPEMLWRUOBL-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099737554 782472525 /nfs/dbraw/zinc/47/25/25/782472525.db2.gz AEWVTPCEVFOQHO-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099737554 782472529 /nfs/dbraw/zinc/47/25/29/782472529.db2.gz AEWVTPCEVFOQHO-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099738469 782472573 /nfs/dbraw/zinc/47/25/73/782472573.db2.gz NSEIDPYKSDZKND-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099738469 782472578 /nfs/dbraw/zinc/47/25/78/782472578.db2.gz NSEIDPYKSDZKND-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099737555 782472761 /nfs/dbraw/zinc/47/27/61/782472761.db2.gz AEWVTPCEVFOQHO-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099737555 782472764 /nfs/dbraw/zinc/47/27/64/782472764.db2.gz AEWVTPCEVFOQHO-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001099728019 782472975 /nfs/dbraw/zinc/47/29/75/782472975.db2.gz URVXCHXZXBZADD-AAEUAGOBSA-N 1 1 312.370 -1.108 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099777956 782480139 /nfs/dbraw/zinc/48/01/39/782480139.db2.gz DGVXEMYKLHEZHK-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760812 782481225 /nfs/dbraw/zinc/48/12/25/782481225.db2.gz OGGDMJDUPLVJKD-RKDXNWHRSA-N 1 1 322.387 -3.038 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760812 782481229 /nfs/dbraw/zinc/48/12/29/782481229.db2.gz OGGDMJDUPLVJKD-RKDXNWHRSA-N 1 1 322.387 -3.038 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001099777955 782481442 /nfs/dbraw/zinc/48/14/42/782481442.db2.gz DGVXEMYKLHEZHK-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099746812 782476422 /nfs/dbraw/zinc/47/64/22/782476422.db2.gz OUBNNTGQNNFKEJ-QWHCGFSZSA-N 1 1 320.386 -1.790 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099746813 782476823 /nfs/dbraw/zinc/47/68/23/782476823.db2.gz OUBNNTGQNNFKEJ-STQMWFEESA-N 1 1 320.386 -1.790 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099746810 782476836 /nfs/dbraw/zinc/47/68/36/782476836.db2.gz OUBNNTGQNNFKEJ-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099758144 782478494 /nfs/dbraw/zinc/47/84/94/782478494.db2.gz OVOCSPXWULVKDO-RYUDHWBXSA-N 1 1 324.385 -1.678 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758227 782478650 /nfs/dbraw/zinc/47/86/50/782478650.db2.gz POEVFTMZSQELHN-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758227 782478657 /nfs/dbraw/zinc/47/86/57/782478657.db2.gz POEVFTMZSQELHN-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001099758610 782478698 /nfs/dbraw/zinc/47/86/98/782478698.db2.gz VQJBOKUQHMYRIU-NEPJUHHUSA-N 1 1 309.370 -1.611 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099758033 782478815 /nfs/dbraw/zinc/47/88/15/782478815.db2.gz NJVZWMWPYVADIO-ZJUUUORDSA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001099758550 782479107 /nfs/dbraw/zinc/47/91/07/782479107.db2.gz UXGKVUXRYCJZMB-CHWSQXEVSA-N 1 1 323.397 -1.073 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)cn1 ZINC001099758612 782479269 /nfs/dbraw/zinc/47/92/69/782479269.db2.gz VQJBOKUQHMYRIU-RYUDHWBXSA-N 1 1 309.370 -1.611 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758226 782479281 /nfs/dbraw/zinc/47/92/81/782479281.db2.gz POEVFTMZSQELHN-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758226 782479284 /nfs/dbraw/zinc/47/92/84/782479284.db2.gz POEVFTMZSQELHN-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)cn1 ZINC001099758611 782479398 /nfs/dbraw/zinc/47/93/98/782479398.db2.gz VQJBOKUQHMYRIU-NWDGAFQWSA-N 1 1 309.370 -1.611 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099789621 782483020 /nfs/dbraw/zinc/48/30/20/782483020.db2.gz PBGHKODIVIAKQS-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099789621 782483025 /nfs/dbraw/zinc/48/30/25/782483025.db2.gz PBGHKODIVIAKQS-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099789618 782483034 /nfs/dbraw/zinc/48/30/34/782483034.db2.gz PBGHKODIVIAKQS-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099789618 782483039 /nfs/dbraw/zinc/48/30/39/782483039.db2.gz PBGHKODIVIAKQS-CHWSQXEVSA-N 1 1 323.397 -1.002 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099791982 782484374 /nfs/dbraw/zinc/48/43/74/782484374.db2.gz NJURCITWZIFYLD-GHMZBOCLSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001099791982 782484380 /nfs/dbraw/zinc/48/43/80/782484380.db2.gz NJURCITWZIFYLD-GHMZBOCLSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099791645 782484596 /nfs/dbraw/zinc/48/45/96/782484596.db2.gz IDPNJKXUJONZBM-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099791645 782484605 /nfs/dbraw/zinc/48/46/05/782484605.db2.gz IDPNJKXUJONZBM-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099791336 782485366 /nfs/dbraw/zinc/48/53/66/782485366.db2.gz DASQAJILAIEYOR-QWRGUYRKSA-N 1 1 303.359 -2.317 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099791615 782485668 /nfs/dbraw/zinc/48/56/68/782485668.db2.gz HUDRDAZSJBTVOT-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001099791252 782485714 /nfs/dbraw/zinc/48/57/14/782485714.db2.gz BMRIEHJACSZMPR-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001099791252 782485718 /nfs/dbraw/zinc/48/57/18/782485718.db2.gz BMRIEHJACSZMPR-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099796482 782486581 /nfs/dbraw/zinc/48/65/81/782486581.db2.gz DHOZAYFOFDVUKS-RYUDHWBXSA-N 1 1 324.385 -1.644 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099796481 782487189 /nfs/dbraw/zinc/48/71/89/782487189.db2.gz DHOZAYFOFDVUKS-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099801825 782488271 /nfs/dbraw/zinc/48/82/71/782488271.db2.gz KTFSPBRAVUQMJJ-MNOVXSKESA-N 1 1 313.358 -2.011 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099796614 782488475 /nfs/dbraw/zinc/48/84/75/782488475.db2.gz GUCNPLCIARJYLI-RYUDHWBXSA-N 1 1 317.386 -1.927 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099802026 782490457 /nfs/dbraw/zinc/49/04/57/782490457.db2.gz OBHWJQWKGCBMQR-PWSUYJOCSA-N 1 1 313.358 -2.011 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838688 782496046 /nfs/dbraw/zinc/49/60/46/782496046.db2.gz QTHFYEHQPRSLBH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838030 782496152 /nfs/dbraw/zinc/49/61/52/782496152.db2.gz HDHVAVINIQKKAO-RYUDHWBXSA-N 1 1 312.374 -1.351 20 0 DAADMO O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099840623 782496942 /nfs/dbraw/zinc/49/69/42/782496942.db2.gz DZIXGPQDHZMVFR-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099833055 782494383 /nfs/dbraw/zinc/49/43/83/782494383.db2.gz QOFMSTYRRCGXOK-WDEREUQCSA-N 1 1 323.415 -2.141 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099833052 782494553 /nfs/dbraw/zinc/49/45/53/782494553.db2.gz QOFMSTYRRCGXOK-GHMZBOCLSA-N 1 1 323.415 -2.141 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824439 782494667 /nfs/dbraw/zinc/49/46/67/782494667.db2.gz SYZUKBBUGQQJSA-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@H](O)C1 ZINC001099824439 782494673 /nfs/dbraw/zinc/49/46/73/782494673.db2.gz SYZUKBBUGQQJSA-VXGBXAGGSA-N 1 1 313.398 -1.069 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099833134 782495032 /nfs/dbraw/zinc/49/50/32/782495032.db2.gz RKZLGJATJWXZCQ-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099860652 782498344 /nfs/dbraw/zinc/49/83/44/782498344.db2.gz FWJIHKGFKJHABO-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860351 782498675 /nfs/dbraw/zinc/49/86/75/782498675.db2.gz AHGJWKWKCWVOPX-WDEREUQCSA-N 1 1 307.416 -1.162 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@@H]1O ZINC001099860654 782499110 /nfs/dbraw/zinc/49/91/10/782499110.db2.gz FWJIHKGFKJHABO-QWRGUYRKSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)C(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099860675 782499071 /nfs/dbraw/zinc/49/90/71/782499071.db2.gz GIDJMBWKCJYJRR-VXGBXAGGSA-N 1 1 301.387 -1.356 20 0 DAADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099863285 782501177 /nfs/dbraw/zinc/50/11/77/782501177.db2.gz LFKGJEBVNYSRKF-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099863463 782501425 /nfs/dbraw/zinc/50/14/25/782501425.db2.gz MQTIXVLIMQTUPB-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099863122 782501542 /nfs/dbraw/zinc/50/15/42/782501542.db2.gz IPZRWYIRFTYHTK-RYUDHWBXSA-N 1 1 317.386 -1.975 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099860655 782499291 /nfs/dbraw/zinc/49/92/91/782499291.db2.gz FWJIHKGFKJHABO-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099860687 782499324 /nfs/dbraw/zinc/49/93/24/782499324.db2.gz GNAKBAJAWOTZPY-WDEREUQCSA-N 1 1 323.415 -2.141 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099857877 782499516 /nfs/dbraw/zinc/49/95/16/782499516.db2.gz DJACNKHGJNIHGC-STQMWFEESA-N 1 1 313.398 -1.164 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001099865060 782503495 /nfs/dbraw/zinc/50/34/95/782503495.db2.gz YIMAHSKPVDWLAW-RYUDHWBXSA-N 1 1 324.385 -1.637 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099863753 782503560 /nfs/dbraw/zinc/50/35/60/782503560.db2.gz NTOCADXNGJWMNV-MNOVXSKESA-N 1 1 303.359 -2.365 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099863974 782503739 /nfs/dbraw/zinc/50/37/39/782503739.db2.gz PASQOQVXJUCQHQ-QWRGUYRKSA-N 1 1 318.374 -2.524 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099863752 782503883 /nfs/dbraw/zinc/50/38/83/782503883.db2.gz NTOCADXNGJWMNV-GHMZBOCLSA-N 1 1 303.359 -2.365 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001099881983 782504071 /nfs/dbraw/zinc/50/40/71/782504071.db2.gz MJXTWFOKSXIMOQ-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880136 782504236 /nfs/dbraw/zinc/50/42/36/782504236.db2.gz VXFLSSBNDQFWBL-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001099861086 782501878 /nfs/dbraw/zinc/50/18/78/782501878.db2.gz MXLAXLPYDNEUIA-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099894400 782505539 /nfs/dbraw/zinc/50/55/39/782505539.db2.gz KKLWJDXCWBYASL-NEPJUHHUSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001099894401 782505631 /nfs/dbraw/zinc/50/56/31/782505631.db2.gz KKLWJDXCWBYASL-NWDGAFQWSA-N 1 1 314.386 -1.802 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099888429 782505673 /nfs/dbraw/zinc/50/56/73/782505673.db2.gz WCKKVPRUBIIPIF-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887317 782506098 /nfs/dbraw/zinc/50/60/98/782506098.db2.gz CMOYVUVEGWIUTD-ZJUUUORDSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099887317 782506108 /nfs/dbraw/zinc/50/61/08/782506108.db2.gz CMOYVUVEGWIUTD-ZJUUUORDSA-N 1 1 314.386 -1.863 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888239 782507087 /nfs/dbraw/zinc/50/70/87/782507087.db2.gz RCJGDDKULYIRHQ-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888239 782507093 /nfs/dbraw/zinc/50/70/93/782507093.db2.gz RCJGDDKULYIRHQ-NWDGAFQWSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099902245 782508114 /nfs/dbraw/zinc/50/81/14/782508114.db2.gz WCTWNPAPOOIGEN-RKDXNWHRSA-N 1 1 309.313 -1.699 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099895728 782508589 /nfs/dbraw/zinc/50/85/89/782508589.db2.gz YZQSLCDSSDSSAO-GHMZBOCLSA-N 1 1 316.358 -3.218 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099905568 782510453 /nfs/dbraw/zinc/51/04/53/782510453.db2.gz ANPOMQGTXZDZJR-DGCLKSJQSA-N 1 1 312.370 -1.406 20 0 DAADMO NC(=O)NCCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099908394 782510648 /nfs/dbraw/zinc/51/06/48/782510648.db2.gz CPIZQCFXQAWSMC-QWRGUYRKSA-N 1 1 302.375 -1.631 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099909738 782510890 /nfs/dbraw/zinc/51/08/90/782510890.db2.gz WXHHMHIEEJECHZ-MNOVXSKESA-N 1 1 313.354 -1.931 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001099923611 782512424 /nfs/dbraw/zinc/51/24/24/782512424.db2.gz GRMLEFJQKRWBPP-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001099923610 782513253 /nfs/dbraw/zinc/51/32/53/782513253.db2.gz GRMLEFJQKRWBPP-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001099937940 782514234 /nfs/dbraw/zinc/51/42/34/782514234.db2.gz ODZWMNOWAXTRHM-MNOVXSKESA-N 1 1 322.431 -1.752 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099938177 782514434 /nfs/dbraw/zinc/51/44/34/782514434.db2.gz RSEYTJRSSSAMNX-IUCAKERBSA-N 1 1 312.367 -2.439 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099938177 782514441 /nfs/dbraw/zinc/51/44/41/782514441.db2.gz RSEYTJRSSSAMNX-IUCAKERBSA-N 1 1 312.367 -2.439 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099941933 782514666 /nfs/dbraw/zinc/51/46/66/782514666.db2.gz JFHWNSVKJFHQQX-QWRGUYRKSA-N 1 1 313.358 -1.713 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099938176 782514837 /nfs/dbraw/zinc/51/48/37/782514837.db2.gz RSEYTJRSSSAMNX-DTWKUNHWSA-N 1 1 312.367 -2.439 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099938176 782514841 /nfs/dbraw/zinc/51/48/41/782514841.db2.gz RSEYTJRSSSAMNX-DTWKUNHWSA-N 1 1 312.367 -2.439 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001099937134 782515128 /nfs/dbraw/zinc/51/51/28/782515128.db2.gz ILHHFOKXIXTNHW-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972508 782519310 /nfs/dbraw/zinc/51/93/10/782519310.db2.gz XZRUZHGXLAZGBD-MNOVXSKESA-N 1 1 312.370 -2.109 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099972508 782519318 /nfs/dbraw/zinc/51/93/18/782519318.db2.gz XZRUZHGXLAZGBD-MNOVXSKESA-N 1 1 312.370 -2.109 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001099973913 782519471 /nfs/dbraw/zinc/51/94/71/782519471.db2.gz KVOMOHNJUSFEFQ-NEPJUHHUSA-N 1 1 324.385 -1.515 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001099974913 782519634 /nfs/dbraw/zinc/51/96/34/782519634.db2.gz WSGJHSBNYLDUQK-HTQZYQBOSA-N 1 1 313.276 -1.398 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001099974913 782519642 /nfs/dbraw/zinc/51/96/42/782519642.db2.gz WSGJHSBNYLDUQK-HTQZYQBOSA-N 1 1 313.276 -1.398 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972651 782519657 /nfs/dbraw/zinc/51/96/57/782519657.db2.gz ZXBXJZZCARDRSQ-NXEZZACHSA-N 1 1 300.359 -2.110 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099972651 782519663 /nfs/dbraw/zinc/51/96/63/782519663.db2.gz ZXBXJZZCARDRSQ-NXEZZACHSA-N 1 1 300.359 -2.110 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973569 782520156 /nfs/dbraw/zinc/52/01/56/782520156.db2.gz FVEKJYRYOZOXOM-HTQZYQBOSA-N 1 1 308.360 -3.428 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973569 782520161 /nfs/dbraw/zinc/52/01/61/782520161.db2.gz FVEKJYRYOZOXOM-HTQZYQBOSA-N 1 1 308.360 -3.428 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099967815 782520637 /nfs/dbraw/zinc/52/06/37/782520637.db2.gz TZKUTKGUYLZTIR-CMPLNLGQSA-N 1 1 310.354 -1.029 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099941934 782515836 /nfs/dbraw/zinc/51/58/36/782515836.db2.gz JFHWNSVKJFHQQX-WDEREUQCSA-N 1 1 313.358 -1.713 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946324 782516512 /nfs/dbraw/zinc/51/65/12/782516512.db2.gz DUBPIUXPTBYXLP-MNOVXSKESA-N 1 1 312.374 -1.200 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946323 782516868 /nfs/dbraw/zinc/51/68/68/782516868.db2.gz DUBPIUXPTBYXLP-GHMZBOCLSA-N 1 1 312.374 -1.200 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099981728 782523062 /nfs/dbraw/zinc/52/30/62/782523062.db2.gz RYYYIWNCLSVUAM-GHMZBOCLSA-N 1 1 315.370 -2.188 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099981836 782523078 /nfs/dbraw/zinc/52/30/78/782523078.db2.gz UKMJPUUYMHGNGO-NXEZZACHSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099981836 782523083 /nfs/dbraw/zinc/52/30/83/782523083.db2.gz UKMJPUUYMHGNGO-NXEZZACHSA-N 1 1 311.379 -1.424 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099978688 782521964 /nfs/dbraw/zinc/52/19/64/782521964.db2.gz JZJUAFYJEWAROG-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001099978688 782521974 /nfs/dbraw/zinc/52/19/74/782521974.db2.gz JZJUAFYJEWAROG-RYUDHWBXSA-N 1 1 321.381 -1.263 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099981838 782523694 /nfs/dbraw/zinc/52/36/94/782523694.db2.gz UKMJPUUYMHGNGO-VHSXEESVSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099981838 782523701 /nfs/dbraw/zinc/52/37/01/782523701.db2.gz UKMJPUUYMHGNGO-VHSXEESVSA-N 1 1 311.379 -1.424 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099981458 782523755 /nfs/dbraw/zinc/52/37/55/782523755.db2.gz OMBONYJOWFVKBM-QWRGUYRKSA-N 1 1 323.415 -2.011 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001099981439 782524310 /nfs/dbraw/zinc/52/43/10/782524310.db2.gz OHDNGRJGZJDLHS-QWRGUYRKSA-N 1 1 322.369 -1.905 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100010763 782527462 /nfs/dbraw/zinc/52/74/62/782527462.db2.gz KAOAACQBYUDCQU-QWHCGFSZSA-N 1 1 322.365 -1.645 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100008329 782527260 /nfs/dbraw/zinc/52/72/60/782527260.db2.gz GHEOGNPOUDYKQV-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nccn2nnnc12 ZINC001099996461 782527333 /nfs/dbraw/zinc/52/73/33/782527333.db2.gz ISFIPYMSOURQTE-JTQLQIEISA-N 1 1 320.357 -1.598 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccn2nnnc12 ZINC001099996461 782527338 /nfs/dbraw/zinc/52/73/38/782527338.db2.gz ISFIPYMSOURQTE-JTQLQIEISA-N 1 1 320.357 -1.598 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100023851 782529502 /nfs/dbraw/zinc/52/95/02/782529502.db2.gz ACQZTKBPADHMDH-QWRGUYRKSA-N 1 1 316.402 -1.372 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016819 782529968 /nfs/dbraw/zinc/52/99/68/782529968.db2.gz AAAKPOALIJEDBN-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016819 782529974 /nfs/dbraw/zinc/52/99/74/782529974.db2.gz AAAKPOALIJEDBN-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100029012 782530860 /nfs/dbraw/zinc/53/08/60/782530860.db2.gz GUPNFPFVKQFGQB-RYUDHWBXSA-N 1 1 317.386 -1.975 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001100030245 782532166 /nfs/dbraw/zinc/53/21/66/782532166.db2.gz WMUPOUJSTIPNPY-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100026785 782532396 /nfs/dbraw/zinc/53/23/96/782532396.db2.gz HYMFFMHQZQZRDK-GHMZBOCLSA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001100026785 782532406 /nfs/dbraw/zinc/53/24/06/782532406.db2.gz HYMFFMHQZQZRDK-GHMZBOCLSA-N 1 1 314.386 -1.896 20 0 DAADMO O=C(CCN1CCOCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100036960 782533548 /nfs/dbraw/zinc/53/35/48/782533548.db2.gz QFKGWRPQGDGUKC-CHWSQXEVSA-N 1 1 301.387 -1.748 20 0 DAADMO O=C(CCN1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100036962 782533361 /nfs/dbraw/zinc/53/33/61/782533361.db2.gz QFKGWRPQGDGUKC-QWHCGFSZSA-N 1 1 301.387 -1.748 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100036286 782533739 /nfs/dbraw/zinc/53/37/39/782533739.db2.gz DLORONJIIHRADL-RYUDHWBXSA-N 1 1 324.381 -1.114 20 0 DAADMO O=C(CCNC(=O)C1CCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100032562 782534358 /nfs/dbraw/zinc/53/43/58/782534358.db2.gz XPAORXCEAZDZPQ-QWHCGFSZSA-N 1 1 313.398 -1.164 20 0 DAADMO NC(=O)CN1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036209 782534490 /nfs/dbraw/zinc/53/44/90/782534490.db2.gz BPWJHVNFYCSUBC-NWDGAFQWSA-N 1 1 314.386 -2.255 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100035317 782534507 /nfs/dbraw/zinc/53/45/07/782534507.db2.gz ZUKMUQFCLZCFRZ-NEPJUHHUSA-N 1 1 301.387 -1.308 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046819 782538396 /nfs/dbraw/zinc/53/83/96/782538396.db2.gz SOMOXPIKZGNRFN-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001100048823 782539389 /nfs/dbraw/zinc/53/93/89/782539389.db2.gz RQNSGJHNSNUIFB-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@H](O)C1 ZINC001100048823 782539395 /nfs/dbraw/zinc/53/93/95/782539395.db2.gz RQNSGJHNSNUIFB-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)[C@H](O)C1 ZINC001100051585 782541061 /nfs/dbraw/zinc/54/10/61/782541061.db2.gz XYQMTSARWLJWTL-CHWSQXEVSA-N 1 1 324.381 -1.169 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058255 782541321 /nfs/dbraw/zinc/54/13/21/782541321.db2.gz POWJVUYBZCMPBC-MNOVXSKESA-N 1 1 313.358 -2.125 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100054099 782541442 /nfs/dbraw/zinc/54/14/42/782541442.db2.gz STZJSVNVNLHMMM-YUMQZZPRSA-N 1 1 313.276 -1.791 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058039 782541986 /nfs/dbraw/zinc/54/19/86/782541986.db2.gz MGFNINMOSAGSME-MNOVXSKESA-N 1 1 313.358 -2.125 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058254 782542101 /nfs/dbraw/zinc/54/21/01/782542101.db2.gz POWJVUYBZCMPBC-GHMZBOCLSA-N 1 1 313.358 -2.125 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058307 782542187 /nfs/dbraw/zinc/54/21/87/782542187.db2.gz QDLABMNFWPIEEV-MNOVXSKESA-N 1 1 323.415 -2.188 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100058256 782541849 /nfs/dbraw/zinc/54/18/49/782541849.db2.gz POWJVUYBZCMPBC-QWRGUYRKSA-N 1 1 313.358 -2.125 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058309 782542618 /nfs/dbraw/zinc/54/26/18/782542618.db2.gz QDLABMNFWPIEEV-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100057241 782542272 /nfs/dbraw/zinc/54/22/72/782542272.db2.gz DGWSROKYWCPCQM-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100057241 782542273 /nfs/dbraw/zinc/54/22/73/782542273.db2.gz DGWSROKYWCPCQM-MNOVXSKESA-N 1 1 315.349 -1.147 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100051185 782542287 /nfs/dbraw/zinc/54/22/87/782542287.db2.gz UAXRTCSPYZFLQX-NEPJUHHUSA-N 1 1 310.354 -1.823 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100054096 782542342 /nfs/dbraw/zinc/54/23/42/782542342.db2.gz STZJSVNVNLHMMM-HTQZYQBOSA-N 1 1 313.276 -1.791 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058041 782542531 /nfs/dbraw/zinc/54/25/31/782542531.db2.gz MGFNINMOSAGSME-WDEREUQCSA-N 1 1 313.358 -2.125 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100069434 782543791 /nfs/dbraw/zinc/54/37/91/782543791.db2.gz LGSLMEYUZUZVJS-QWRGUYRKSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100069434 782543797 /nfs/dbraw/zinc/54/37/97/782543797.db2.gz LGSLMEYUZUZVJS-QWRGUYRKSA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100069434 782543803 /nfs/dbraw/zinc/54/38/03/782543803.db2.gz LGSLMEYUZUZVJS-QWRGUYRKSA-N 1 1 313.358 -2.093 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC)C[C@@H]1O ZINC001100064401 782543861 /nfs/dbraw/zinc/54/38/61/782543861.db2.gz MBTIAKBYKKAXJB-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001100072520 782544479 /nfs/dbraw/zinc/54/44/79/782544479.db2.gz WXRBZDQLEVRMKL-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](O)C1 ZINC001100072520 782544485 /nfs/dbraw/zinc/54/44/85/782544485.db2.gz WXRBZDQLEVRMKL-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001100072521 782544887 /nfs/dbraw/zinc/54/48/87/782544887.db2.gz WXRBZDQLEVRMKL-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001100072521 782544892 /nfs/dbraw/zinc/54/48/92/782544892.db2.gz WXRBZDQLEVRMKL-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100083875 782546330 /nfs/dbraw/zinc/54/63/30/782546330.db2.gz WZEWVUXZMCDWSC-ZIAGYGMSSA-N 1 1 321.377 -1.040 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100078792 782547852 /nfs/dbraw/zinc/54/78/52/782547852.db2.gz OMUHSBIADNTPRP-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CN(C)C(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100078449 782548215 /nfs/dbraw/zinc/54/82/15/782548215.db2.gz JFIVZZNKCFRQGF-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)NC)C[C@H]1O ZINC001100083109 782548064 /nfs/dbraw/zinc/54/80/64/782548064.db2.gz NGHVIWQBRYUYNC-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091932 782548632 /nfs/dbraw/zinc/54/86/32/782548632.db2.gz HYPFOEAZCLUYBA-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100092874 782549073 /nfs/dbraw/zinc/54/90/73/782549073.db2.gz UEVLHBBZVUXFMF-RYUDHWBXSA-N 1 1 319.427 -1.161 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096976 782549683 /nfs/dbraw/zinc/54/96/83/782549683.db2.gz PLKZMQSJKGRYRC-DGCLKSJQSA-N 1 1 324.381 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100092740 782549904 /nfs/dbraw/zinc/54/99/04/782549904.db2.gz RNZSNOJVVCGOLF-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001100096978 782550591 /nfs/dbraw/zinc/55/05/91/782550591.db2.gz PLKZMQSJKGRYRC-YPMHNXCESA-N 1 1 324.381 -1.018 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100108122 782551271 /nfs/dbraw/zinc/55/12/71/782551271.db2.gz QZOINRBCHLFFQZ-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100101936 782551386 /nfs/dbraw/zinc/55/13/86/782551386.db2.gz VJFPZZYUWVSZGI-NWDGAFQWSA-N 1 1 313.358 -2.162 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103618 782551874 /nfs/dbraw/zinc/55/18/74/782551874.db2.gz OZKNBBNAWPOYER-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103618 782551882 /nfs/dbraw/zinc/55/18/82/782551882.db2.gz OZKNBBNAWPOYER-NEPJUHHUSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100106544 782551994 /nfs/dbraw/zinc/55/19/94/782551994.db2.gz WCYIVCVGABXMJC-QWRGUYRKSA-N 1 1 318.374 -2.395 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106772 782552053 /nfs/dbraw/zinc/55/20/53/782552053.db2.gz ZWWUQCCSQHVWEV-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103447 782552159 /nfs/dbraw/zinc/55/21/59/782552159.db2.gz MAQSPMVNNHYYNK-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100103447 782552166 /nfs/dbraw/zinc/55/21/66/782552166.db2.gz MAQSPMVNNHYYNK-UWVGGRQHSA-N 1 1 315.374 -2.316 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)cn1 ZINC001100104064 782553265 /nfs/dbraw/zinc/55/32/65/782553265.db2.gz WHGVOJNNGXEWLL-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C2)cn1 ZINC001100104064 782553270 /nfs/dbraw/zinc/55/32/70/782553270.db2.gz WHGVOJNNGXEWLL-RYUDHWBXSA-N 1 1 324.385 -1.470 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100109490 782553906 /nfs/dbraw/zinc/55/39/06/782553906.db2.gz GFRSSZTXPCMORQ-UONOGXRCSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109490 782553917 /nfs/dbraw/zinc/55/39/17/782553917.db2.gz GFRSSZTXPCMORQ-UONOGXRCSA-N 1 1 315.414 -1.358 20 0 DAADMO CCNC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110583 782555301 /nfs/dbraw/zinc/55/53/01/782555301.db2.gz YCBPQHXKGNAPOV-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCOC)C[C@H]1O ZINC001100126665 782556887 /nfs/dbraw/zinc/55/68/87/782556887.db2.gz KTLUPLIKNQSXIQ-WDEREUQCSA-N 1 1 316.402 -1.108 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117983 782556859 /nfs/dbraw/zinc/55/68/59/782556859.db2.gz SIBMIWZECZHQEQ-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001100117899 782557372 /nfs/dbraw/zinc/55/73/72/782557372.db2.gz RAWXRJWOSZDMJV-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100122928 782557467 /nfs/dbraw/zinc/55/74/67/782557467.db2.gz YZWFMMRZFXSIJR-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100119261 782557660 /nfs/dbraw/zinc/55/76/60/782557660.db2.gz HLIDHPMQLXPRGK-WCQYABFASA-N 1 1 322.365 -1.645 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131983 782559638 /nfs/dbraw/zinc/55/96/38/782559638.db2.gz LQXGCSKHWCXDCW-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100131341 782559709 /nfs/dbraw/zinc/55/97/09/782559709.db2.gz BPWNZYCBMHTOEA-QWHCGFSZSA-N 1 1 314.430 -1.034 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131985 782559844 /nfs/dbraw/zinc/55/98/44/782559844.db2.gz LQXGCSKHWCXDCW-RYUDHWBXSA-N 1 1 300.403 -1.376 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100131342 782559911 /nfs/dbraw/zinc/55/99/11/782559911.db2.gz BPWNZYCBMHTOEA-STQMWFEESA-N 1 1 314.430 -1.034 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143619 782562008 /nfs/dbraw/zinc/56/20/08/782562008.db2.gz XGQGYTIZXRXPBO-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143619 782562015 /nfs/dbraw/zinc/56/20/15/782562015.db2.gz XGQGYTIZXRXPBO-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001100147043 782562030 /nfs/dbraw/zinc/56/20/30/782562030.db2.gz BQQFIHZTRLJXHF-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCc2nc[nH]n2)C1 ZINC001100226886 782563938 /nfs/dbraw/zinc/56/39/38/782563938.db2.gz XCSRWVJDIBYPII-UHFFFAOYSA-N 1 1 323.357 -1.583 20 0 DAADMO Cc1cc(CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)[nH]n1 ZINC001100238014 782564210 /nfs/dbraw/zinc/56/42/10/782564210.db2.gz LEDZDCULCWYYMH-UHFFFAOYSA-N 1 1 322.369 -1.060 20 0 DAADMO CCNC(=O)CC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100263772 782565050 /nfs/dbraw/zinc/56/50/50/782565050.db2.gz HFUVZHKLYHYEFN-UHFFFAOYSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1nc(CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001100318482 782568178 /nfs/dbraw/zinc/56/81/78/782568178.db2.gz PDJRAAYSJAZJDP-UHFFFAOYSA-N 1 1 323.357 -1.665 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)Cn2ncnn2)C1 ZINC001100337275 782570503 /nfs/dbraw/zinc/57/05/03/782570503.db2.gz QNASGYDCXHMMJT-UHFFFAOYSA-N 1 1 306.334 -2.119 20 0 DAADMO CNC(=O)NCC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100383215 782572894 /nfs/dbraw/zinc/57/28/94/782572894.db2.gz QEYQWXNAHYNHEZ-UHFFFAOYSA-N 1 1 310.362 -1.877 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001100424503 782575238 /nfs/dbraw/zinc/57/52/38/782575238.db2.gz IWTPOHZHPWUWDI-UHFFFAOYSA-N 1 1 309.374 -1.294 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475570 782576441 /nfs/dbraw/zinc/57/64/41/782576441.db2.gz YQCNIRRREHTAIQ-UEJVZZJDSA-N 1 1 323.357 -1.253 20 0 DAADMO C[C@H]([NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1)C(=O)NC(N)=O ZINC001100768174 782583121 /nfs/dbraw/zinc/58/31/21/782583121.db2.gz VMTIZQOFVXUKEE-KKMMWDRVSA-N 1 1 309.330 -1.514 20 0 DAADMO C[C@H]([NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1)C(=O)NC(N)=O ZINC001100768174 782583124 /nfs/dbraw/zinc/58/31/24/782583124.db2.gz VMTIZQOFVXUKEE-KKMMWDRVSA-N 1 1 309.330 -1.514 20 0 DAADMO COC[C@@H](OC)C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100656907 782580972 /nfs/dbraw/zinc/58/09/72/782580972.db2.gz QYOGMNOVSRDVTB-VQXHTEKXSA-N 1 1 312.374 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)COC)C[C@]2(C)C1 ZINC001101099033 782590752 /nfs/dbraw/zinc/59/07/52/782590752.db2.gz WQXYMPUZUUVPOE-YGRLFVJLSA-N 1 1 312.370 -1.131 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101345890 782594915 /nfs/dbraw/zinc/59/49/15/782594915.db2.gz MMPVZMDEACJOST-MFKMUULPSA-N 1 1 317.411 -1.313 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101345945 782595165 /nfs/dbraw/zinc/59/51/65/782595165.db2.gz OLRUWMFXRUMYSQ-RBDZCENOSA-N 1 1 311.342 -2.165 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101465592 782595538 /nfs/dbraw/zinc/59/55/38/782595538.db2.gz PLLLGMGCIIGHHK-SKDRFNHKSA-N 1 1 318.399 -2.199 20 0 DAADMO CN(CCNc1nccn2nnnc12)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101538109 782596362 /nfs/dbraw/zinc/59/63/62/782596362.db2.gz JCIHZJUBZQSOBO-SNVBAGLBSA-N 1 1 320.357 -1.280 20 0 DAADMO CN(CCNc1nccn2nnnc12)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101538109 782596365 /nfs/dbraw/zinc/59/63/65/782596365.db2.gz JCIHZJUBZQSOBO-SNVBAGLBSA-N 1 1 320.357 -1.280 20 0 DAADMO CN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001101538430 782596644 /nfs/dbraw/zinc/59/66/44/782596644.db2.gz XPLHWULECBINMA-JTQLQIEISA-N 1 1 320.357 -1.280 20 0 DAADMO CN(CCNc1ccc2nnnn2n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001101538430 782596649 /nfs/dbraw/zinc/59/66/49/782596649.db2.gz XPLHWULECBINMA-JTQLQIEISA-N 1 1 320.357 -1.280 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101604172 782596814 /nfs/dbraw/zinc/59/68/14/782596814.db2.gz ORIPGPFLZAZHTO-CMPLNLGQSA-N 1 1 321.381 -1.028 20 0 DAADMO C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)NC(N)=O ZINC001101235912 782591696 /nfs/dbraw/zinc/59/16/96/782591696.db2.gz IESIQFBTMWGOLS-RBZYPMLTSA-N 1 1 311.386 -1.301 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@]3(C)C2)C1=O ZINC001101124210 782591757 /nfs/dbraw/zinc/59/17/57/782591757.db2.gz QBKSBXYTAFDBFU-ZETOZRRWSA-N 1 1 323.397 -1.334 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101182588 782591832 /nfs/dbraw/zinc/59/18/32/782591832.db2.gz XELYXTWHMRMKMK-OQPBUACISA-N 1 1 311.342 -2.163 20 0 DAADMO C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)NC(N)=O ZINC001101235913 782591927 /nfs/dbraw/zinc/59/19/27/782591927.db2.gz IESIQFBTMWGOLS-RULNRJAQSA-N 1 1 311.386 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(=O)NC)C[C@]2(C)C1 ZINC001101258602 782592109 /nfs/dbraw/zinc/59/21/09/782592109.db2.gz AREIPFQQBRILGV-YGRLFVJLSA-N 1 1 311.386 -1.558 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101241209 782592141 /nfs/dbraw/zinc/59/21/41/782592141.db2.gz VPFVMFQQGWFQBI-RISCZKNCSA-N 1 1 321.385 -1.411 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101146813 782592688 /nfs/dbraw/zinc/59/26/88/782592688.db2.gz WUGRLRHLQAENRD-RBZYPMLTSA-N 1 1 312.370 -1.004 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101240693 782593070 /nfs/dbraw/zinc/59/30/70/782593070.db2.gz FQTMBAGRYBDYIK-BZPMIXESSA-N 1 1 324.385 -1.539 20 0 DAADMO C[C@]12CN(C(=O)c3ncc[nH]3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101223604 782593245 /nfs/dbraw/zinc/59/32/45/782593245.db2.gz FFQXJQJFPSHCAM-OTYXRUKQSA-N 1 1 320.353 -1.002 20 0 DAADMO C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101398911 782594282 /nfs/dbraw/zinc/59/42/82/782594282.db2.gz AHRQDMIUGCEFKD-OQPBUACISA-N 1 1 322.325 -1.342 20 0 DAADMO C[C@]12CN(C(=O)c3cnon3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101398911 782594290 /nfs/dbraw/zinc/59/42/90/782594290.db2.gz AHRQDMIUGCEFKD-OQPBUACISA-N 1 1 322.325 -1.342 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC2(C[NH+](C[C@@H](C)O)C2)n2ccnc21 ZINC001101623803 782598283 /nfs/dbraw/zinc/59/82/83/782598283.db2.gz KNMPWFAFICBREW-GHMZBOCLSA-N 1 1 321.381 -1.028 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101624460 782598486 /nfs/dbraw/zinc/59/84/86/782598486.db2.gz VQKBWAVAOJDOII-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101617005 782598899 /nfs/dbraw/zinc/59/88/99/782598899.db2.gz IWJMUSWAUFGBEP-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001101810422 782603991 /nfs/dbraw/zinc/60/39/91/782603991.db2.gz GQAGWSZSEOTZGS-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101684398 782600039 /nfs/dbraw/zinc/60/00/39/782600039.db2.gz DBPYPKYNVYGBMD-YUSALJHKSA-N 1 1 324.381 -1.388 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711156 782600132 /nfs/dbraw/zinc/60/01/32/782600132.db2.gz OREYAEHUYAPMHJ-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101652957 782600815 /nfs/dbraw/zinc/60/08/15/782600815.db2.gz XASJHPDMUMRPIQ-JTQLQIEISA-N 1 1 322.369 -1.494 20 0 DAADMO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001101641370 782601056 /nfs/dbraw/zinc/60/10/56/782601056.db2.gz OOQCRILUMJWCCE-UWVGGRQHSA-N 1 1 323.353 -2.052 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716027 782601758 /nfs/dbraw/zinc/60/17/58/782601758.db2.gz NPWYVGFIXYNZSM-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716027 782601767 /nfs/dbraw/zinc/60/17/67/782601767.db2.gz NPWYVGFIXYNZSM-GHMZBOCLSA-N 1 1 319.373 -1.314 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001101767889 782602427 /nfs/dbraw/zinc/60/24/27/782602427.db2.gz OFIIYSITFHPKSN-OPRDCNLKSA-N 1 1 300.359 -1.100 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101717025 782602476 /nfs/dbraw/zinc/60/24/76/782602476.db2.gz QFNQHMDAOSCOOJ-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101714606 782602558 /nfs/dbraw/zinc/60/25/58/782602558.db2.gz IMPXRPNIXZGTSE-OUAUKWLOSA-N 1 1 309.374 -1.508 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101714605 782602919 /nfs/dbraw/zinc/60/29/19/782602919.db2.gz IMPXRPNIXZGTSE-GMTAPVOTSA-N 1 1 309.374 -1.508 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711307 782602954 /nfs/dbraw/zinc/60/29/54/782602954.db2.gz VVXIJTLLUUZLDL-HTQZYQBOSA-N 1 1 314.346 -2.466 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783080 782603000 /nfs/dbraw/zinc/60/30/00/782603000.db2.gz FJDDPGUPWOJIFV-IJLUTSLNSA-N 1 1 322.427 -1.278 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101715746 782603468 /nfs/dbraw/zinc/60/34/68/782603468.db2.gz HPJLOQZQRYLOGX-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101837886 782603837 /nfs/dbraw/zinc/60/38/37/782603837.db2.gz RTFTVLAEBGTCRZ-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC2(C[NH+](CCCO)C2)n2ccnc21 ZINC001101607835 782598095 /nfs/dbraw/zinc/59/80/95/782598095.db2.gz ZGSUJKJRIXWTNZ-JTQLQIEISA-N 1 1 322.369 -1.494 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101610810 782598191 /nfs/dbraw/zinc/59/81/91/782598191.db2.gz XDMSXHOUBWHBEC-SNVBAGLBSA-N 1 1 323.353 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cn(C)nn1 ZINC001101932164 782607928 /nfs/dbraw/zinc/60/79/28/782607928.db2.gz HHISUMMIAWHWBN-RKDXNWHRSA-N 1 1 323.357 -1.692 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001101928290 782608388 /nfs/dbraw/zinc/60/83/88/782608388.db2.gz WODBHIMJVQMUDS-IJLUTSLNSA-N 1 1 315.370 -1.212 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001101966632 782608410 /nfs/dbraw/zinc/60/84/10/782608410.db2.gz VBFGVRRJRBHEBW-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101977359 782608699 /nfs/dbraw/zinc/60/86/99/782608699.db2.gz ZOQAMGIDNQGPFJ-IJLUTSLNSA-N 1 1 321.385 -1.412 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001101788375 782604693 /nfs/dbraw/zinc/60/46/93/782604693.db2.gz CRVJPSKEVHVPIT-OUAUKWLOSA-N 1 1 312.370 -1.098 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2CCOCC2)[C@H](C)C1 ZINC001101886415 782604796 /nfs/dbraw/zinc/60/47/96/782604796.db2.gz OGLDXVBCCJTOJU-FRRDWIJNSA-N 1 1 312.414 -1.124 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838730 782604838 /nfs/dbraw/zinc/60/48/38/782604838.db2.gz PTPDPGUGVVNJJR-BBBLOLIVSA-N 1 1 310.354 -1.649 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101783081 782605271 /nfs/dbraw/zinc/60/52/71/782605271.db2.gz FJDDPGUPWOJIFV-UTUOFQBUSA-N 1 1 322.427 -1.278 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001101908369 782606132 /nfs/dbraw/zinc/60/61/32/782606132.db2.gz QQTONWACQXXPKC-UTUOFQBUSA-N 1 1 301.387 -1.186 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101902177 782606321 /nfs/dbraw/zinc/60/63/21/782606321.db2.gz BMXWRAZUPHCLDA-NXEZZACHSA-N 1 1 310.358 -1.586 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001101911702 782607098 /nfs/dbraw/zinc/60/70/98/782607098.db2.gz ORNJQEHOGARGOP-GRYCIOLGSA-N 1 1 316.402 -1.264 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[C@H](C)C1 ZINC001101967457 782609179 /nfs/dbraw/zinc/60/91/79/782609179.db2.gz GNKWARKFFZYQOD-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980305 782609282 /nfs/dbraw/zinc/60/92/82/782609282.db2.gz SGAOYEAECYIGKU-GHMZBOCLSA-N 1 1 309.374 -1.555 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001101940848 782609354 /nfs/dbraw/zinc/60/93/54/782609354.db2.gz SQNKADWFOLABKD-RKDXNWHRSA-N 1 1 308.342 -1.098 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101980519 782610113 /nfs/dbraw/zinc/61/01/13/782610113.db2.gz WYZQSJZIOJPAPI-GHMZBOCLSA-N 1 1 321.385 -1.364 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102018587 782610327 /nfs/dbraw/zinc/61/03/27/782610327.db2.gz LWFBOCKKHULFGD-GHMZBOCLSA-N 1 1 314.386 -1.739 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102024088 782610624 /nfs/dbraw/zinc/61/06/24/782610624.db2.gz ZRCGUZHYEUAYKA-IJLUTSLNSA-N 1 1 316.402 -1.393 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101992283 782610753 /nfs/dbraw/zinc/61/07/53/782610753.db2.gz IHDFIYZAGXXYKQ-IJLUTSLNSA-N 1 1 301.387 -1.186 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)N1C(=O)CCC1=O ZINC001102021396 782611071 /nfs/dbraw/zinc/61/10/71/782611071.db2.gz OMCHNWPVLRJQCF-OUAUKWLOSA-N 1 1 324.381 -1.307 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001101992282 782611339 /nfs/dbraw/zinc/61/13/39/782611339.db2.gz IHDFIYZAGXXYKQ-GRYCIOLGSA-N 1 1 301.387 -1.186 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007561 782611447 /nfs/dbraw/zinc/61/14/47/782611447.db2.gz BWJNKHQUQZQMQD-UTUOFQBUSA-N 1 1 306.370 -1.149 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1nccn1 ZINC001102007560 782611524 /nfs/dbraw/zinc/61/15/24/782611524.db2.gz BWJNKHQUQZQMQD-IJLUTSLNSA-N 1 1 306.370 -1.149 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)CN2CCNC(=O)C2)[C@H](C)C1 ZINC001102215212 782613541 /nfs/dbraw/zinc/61/35/41/782613541.db2.gz LMPSRGVNSDOMMC-CHWSQXEVSA-N 1 1 312.414 -1.251 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001102118713 782612455 /nfs/dbraw/zinc/61/24/55/782612455.db2.gz UIZUXQANDBBGIS-RKDXNWHRSA-N 1 1 323.357 -1.442 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118713 782612458 /nfs/dbraw/zinc/61/24/58/782612458.db2.gz UIZUXQANDBBGIS-RKDXNWHRSA-N 1 1 323.357 -1.442 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001102118713 782612465 /nfs/dbraw/zinc/61/24/65/782612465.db2.gz UIZUXQANDBBGIS-RKDXNWHRSA-N 1 1 323.357 -1.442 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001102111140 782612667 /nfs/dbraw/zinc/61/26/67/782612667.db2.gz WQTZJUBZEGEMIV-HTQZYQBOSA-N 1 1 306.313 -1.463 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCn1cnccc1=O ZINC001102489380 782617178 /nfs/dbraw/zinc/61/71/78/782617178.db2.gz GRWHBFHGPGCFOS-VXGBXAGGSA-N 1 1 321.381 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001102505218 782617729 /nfs/dbraw/zinc/61/77/29/782617729.db2.gz AHNGAAOIOHTGCB-RKDXNWHRSA-N 1 1 323.357 -1.774 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102505218 782617732 /nfs/dbraw/zinc/61/77/32/782617732.db2.gz AHNGAAOIOHTGCB-RKDXNWHRSA-N 1 1 323.357 -1.774 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102505218 782617740 /nfs/dbraw/zinc/61/77/40/782617740.db2.gz AHNGAAOIOHTGCB-RKDXNWHRSA-N 1 1 323.357 -1.774 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCN1CCOCC1 ZINC001102468371 782617787 /nfs/dbraw/zinc/61/77/87/782617787.db2.gz FJAXVHFBAYCKSL-CHWSQXEVSA-N 1 1 312.414 -1.122 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001102506300 782617904 /nfs/dbraw/zinc/61/79/04/782617904.db2.gz DLUUHNPGKVUTPQ-MXWKQRLJSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102506300 782617908 /nfs/dbraw/zinc/61/79/08/782617908.db2.gz DLUUHNPGKVUTPQ-MXWKQRLJSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001102506300 782617914 /nfs/dbraw/zinc/61/79/14/782617914.db2.gz DLUUHNPGKVUTPQ-MXWKQRLJSA-N 1 1 306.370 -1.080 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnn(C)n1 ZINC001102462665 782618203 /nfs/dbraw/zinc/61/82/03/782618203.db2.gz BZNMPRYGGDRHDB-RKDXNWHRSA-N 1 1 323.357 -1.692 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102405037 782618229 /nfs/dbraw/zinc/61/82/29/782618229.db2.gz XFJSBKAVBHNRHS-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C(=O)NCC(F)(F)F ZINC001102486899 782618346 /nfs/dbraw/zinc/61/83/46/782618346.db2.gz AMISGWSUMIKREA-HTQZYQBOSA-N 1 1 324.303 -1.166 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cc1ncc[nH]1 ZINC001102482309 782618616 /nfs/dbraw/zinc/61/86/16/782618616.db2.gz OVEARPJMBHGVHT-NXEZZACHSA-N 1 1 322.369 -1.169 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102024090 782613722 /nfs/dbraw/zinc/61/37/22/782613722.db2.gz ZULDHMJLDOFTHZ-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102024090 782613725 /nfs/dbraw/zinc/61/37/25/782613725.db2.gz ZULDHMJLDOFTHZ-GHMZBOCLSA-N 1 1 323.401 -1.072 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001102215252 782613931 /nfs/dbraw/zinc/61/39/31/782613931.db2.gz NEFZWTIDUYLMDX-GHMZBOCLSA-N 1 1 311.386 -2.412 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)C(N)=O ZINC001102304581 782614574 /nfs/dbraw/zinc/61/45/74/782614574.db2.gz NQNLZKRFVOFILP-OUAUKWLOSA-N 1 1 317.411 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)C(N)=O ZINC001102306071 782614830 /nfs/dbraw/zinc/61/48/30/782614830.db2.gz FAXZMABKRYAEID-GMTAPVOTSA-N 1 1 306.370 -1.065 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C(N)=O ZINC001102310551 782614965 /nfs/dbraw/zinc/61/49/65/782614965.db2.gz XJKZGWBPQFMLGH-RKDXNWHRSA-N 1 1 307.358 -1.323 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C(N)=O ZINC001102310551 782614972 /nfs/dbraw/zinc/61/49/72/782614972.db2.gz XJKZGWBPQFMLGH-RKDXNWHRSA-N 1 1 307.358 -1.323 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102308730 782615433 /nfs/dbraw/zinc/61/54/33/782615433.db2.gz FDYFTQRNWQXSKI-GHMZBOCLSA-N 1 1 314.386 -1.692 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001102222778 782615542 /nfs/dbraw/zinc/61/55/42/782615542.db2.gz GJBJNFCELUJGOD-JHJVBQTASA-N 1 1 313.398 -1.185 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)C(N)=O ZINC001102309595 782615627 /nfs/dbraw/zinc/61/56/27/782615627.db2.gz DBARRNSPRRAUGP-NXEZZACHSA-N 1 1 322.369 -1.522 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)C(N)=O ZINC001102309595 782615632 /nfs/dbraw/zinc/61/56/32/782615632.db2.gz DBARRNSPRRAUGP-NXEZZACHSA-N 1 1 322.369 -1.522 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102309925 782615848 /nfs/dbraw/zinc/61/58/48/782615848.db2.gz LHAMHQWWJICAPF-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCNC2=O)[C@H](C)C1 ZINC001102222618 782616051 /nfs/dbraw/zinc/61/60/51/782616051.db2.gz AEVIWYGIGAGPKC-UTUOFQBUSA-N 1 1 310.398 -1.057 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001102307750 782616058 /nfs/dbraw/zinc/61/60/58/782616058.db2.gz QGUUAPJZTAXUNP-MXWKQRLJSA-N 1 1 308.382 -1.176 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102564452 782621276 /nfs/dbraw/zinc/62/12/76/782621276.db2.gz RJSYUQIFNDVCFS-MXWKQRLJSA-N 1 1 313.402 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)CCNC(N)=O ZINC001102563118 782621387 /nfs/dbraw/zinc/62/13/87/782621387.db2.gz KDLZLABDBPBFJG-VXGBXAGGSA-N 1 1 316.402 -1.262 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102639563 782621924 /nfs/dbraw/zinc/62/19/24/782621924.db2.gz BUAWERGJYZYLQR-ZYHUDNBSSA-N 1 1 323.401 -1.080 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102639563 782621932 /nfs/dbraw/zinc/62/19/32/782621932.db2.gz BUAWERGJYZYLQR-ZYHUDNBSSA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103058987 782625267 /nfs/dbraw/zinc/62/52/67/782625267.db2.gz UACIBZDORFCEOS-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC(N)=O ZINC001102806356 782622291 /nfs/dbraw/zinc/62/22/91/782622291.db2.gz QHTHDLYYOZYPBE-NXEZZACHSA-N 1 1 309.374 -1.340 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)CC(N)=O ZINC001102806356 782622297 /nfs/dbraw/zinc/62/22/97/782622297.db2.gz QHTHDLYYOZYPBE-NXEZZACHSA-N 1 1 309.374 -1.340 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001102931218 782622359 /nfs/dbraw/zinc/62/23/59/782622359.db2.gz QJXPSYNLPLUQHM-MXWKQRLJSA-N 1 1 312.370 -1.085 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802190 782622616 /nfs/dbraw/zinc/62/26/16/782622616.db2.gz XLNNMRORDWPGFV-GMTAPVOTSA-N 1 1 324.381 -1.259 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655005 782622897 /nfs/dbraw/zinc/62/28/97/782622897.db2.gz LWMAAAOIFHWZCJ-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655096 782623288 /nfs/dbraw/zinc/62/32/88/782623288.db2.gz QGLIVQCDYMCAHC-IJLUTSLNSA-N 1 1 316.402 -1.264 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102655126 782623637 /nfs/dbraw/zinc/62/36/37/782623637.db2.gz RNLPOVQASGOUHC-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc(=O)n(C)cn1 ZINC001103099775 782623866 /nfs/dbraw/zinc/62/38/66/782623866.db2.gz YSQLVESQWNWMDG-GHMZBOCLSA-N 1 1 321.381 -1.047 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103051933 782624150 /nfs/dbraw/zinc/62/41/50/782624150.db2.gz QVSCJYPOMGHVKX-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO C[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)S(C)(=O)=O ZINC001103149910 782624619 /nfs/dbraw/zinc/62/46/19/782624619.db2.gz PZYNIOLJHVGFEY-OUAUKWLOSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)S(C)(=O)=O ZINC001103149910 782624628 /nfs/dbraw/zinc/62/46/28/782624628.db2.gz PZYNIOLJHVGFEY-OUAUKWLOSA-N 1 1 319.427 -1.021 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102975804 782624832 /nfs/dbraw/zinc/62/48/32/782624832.db2.gz ZQTXSZVDFUCLQP-VXGBXAGGSA-N 1 1 321.443 -1.008 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991432 782624884 /nfs/dbraw/zinc/62/48/84/782624884.db2.gz MNAPITWCMCFJTL-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO CNC(=O)NCC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103058986 782624908 /nfs/dbraw/zinc/62/49/08/782624908.db2.gz UACIBZDORFCEOS-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC001102519770 782619598 /nfs/dbraw/zinc/61/95/98/782619598.db2.gz JFCOJNKOFJGCOT-NDBYEHHHSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cn1cncn1 ZINC001102559514 782619684 /nfs/dbraw/zinc/61/96/84/782619684.db2.gz ACNGDPGMFHCYJK-UTUOFQBUSA-N 1 1 306.370 -1.149 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)CCNC(N)=O ZINC001102562014 782619740 /nfs/dbraw/zinc/61/97/40/782619740.db2.gz VUYYYILZOYLRKZ-GHMZBOCLSA-N 1 1 313.402 -1.183 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC001102557602 782620139 /nfs/dbraw/zinc/62/01/39/782620139.db2.gz FTFIFASPPKFZJU-OUAUKWLOSA-N 1 1 312.370 -1.397 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001102563326 782620292 /nfs/dbraw/zinc/62/02/92/782620292.db2.gz SLWHYDBPLSUUKD-GMTAPVOTSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN2C(=O)CCC2=O)[C@H](C)C1 ZINC001102563432 782620373 /nfs/dbraw/zinc/62/03/73/782620373.db2.gz XLUZVHDEWAKSDM-GMTAPVOTSA-N 1 1 324.381 -1.307 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cncn2)[C@H](C)C1 ZINC001102556566 782620437 /nfs/dbraw/zinc/62/04/37/782620437.db2.gz FZZLGXYMBVWBHL-JHJVBQTASA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC001102537072 782620620 /nfs/dbraw/zinc/62/06/20/782620620.db2.gz HWKVAHYLLDVWCC-GRYCIOLGSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCNC(N)=O ZINC001102561618 782621017 /nfs/dbraw/zinc/62/10/17/782621017.db2.gz JUPFUOSRQGPZDV-MXWKQRLJSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)Cn1cncn1 ZINC001102557775 782621096 /nfs/dbraw/zinc/62/10/96/782621096.db2.gz NTULRRSWRTXLLS-NXEZZACHSA-N 1 1 323.357 -1.843 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cn1cncn1 ZINC001102556753 782621148 /nfs/dbraw/zinc/62/11/48/782621148.db2.gz OTQOTWFPFHMTFN-CHWSQXEVSA-N 1 1 311.386 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)[C@H](C)C1 ZINC001102622574 782621169 /nfs/dbraw/zinc/62/11/69/782621169.db2.gz AKCWOLDCEYUINB-OUAUKWLOSA-N 1 1 324.381 -1.531 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001103439802 782625783 /nfs/dbraw/zinc/62/57/83/782625783.db2.gz WBUHOMRGRRRMMX-KKOKHZNYSA-N 1 1 310.398 -1.072 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103389076 782626174 /nfs/dbraw/zinc/62/61/74/782626174.db2.gz DEHIBVGULJWRQR-RKDXNWHRSA-N 1 1 313.358 -1.999 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001103315008 782626242 /nfs/dbraw/zinc/62/62/42/782626242.db2.gz KXUBGIHAZLEJFY-MXWKQRLJSA-N 1 1 311.386 -1.431 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001103705995 782626644 /nfs/dbraw/zinc/62/66/44/782626644.db2.gz VLOKXHBDCDJKOL-GMTAPVOTSA-N 1 1 313.402 -1.007 20 0 DAADMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103391352 782626815 /nfs/dbraw/zinc/62/68/15/782626815.db2.gz AXOOYBDJHKERJH-NXEZZACHSA-N 1 1 305.400 -1.410 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391528 782626892 /nfs/dbraw/zinc/62/68/92/782626892.db2.gz KBEXZQYLEQJTIA-UPJWGTAASA-N 1 1 323.397 -1.197 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001103705996 782626950 /nfs/dbraw/zinc/62/69/50/782626950.db2.gz VLOKXHBDCDJKOL-OUAUKWLOSA-N 1 1 313.402 -1.007 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103732579 782627015 /nfs/dbraw/zinc/62/70/15/782627015.db2.gz HTMIMHUGWYSNCW-GHMZBOCLSA-N 1 1 307.416 -1.398 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103471124 782627118 /nfs/dbraw/zinc/62/71/18/782627118.db2.gz ZILGUGSEHGBZNF-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001103730440 782627161 /nfs/dbraw/zinc/62/71/61/782627161.db2.gz QNXWONNLFAOYHK-UTUOFQBUSA-N 1 1 319.427 -1.255 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111585564 782631745 /nfs/dbraw/zinc/63/17/45/782631745.db2.gz ZOWYRNNPXYDETH-HZMBPMFUSA-N 1 1 321.385 -1.046 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111585564 782631752 /nfs/dbraw/zinc/63/17/52/782631752.db2.gz ZOWYRNNPXYDETH-HZMBPMFUSA-N 1 1 321.385 -1.046 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncnn2)C1 ZINC001111751509 782633240 /nfs/dbraw/zinc/63/32/40/782633240.db2.gz ZDKZDZNUNDUZPA-SCRDCRAPSA-N 1 1 324.385 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCF)C2 ZINC001111821151 782633323 /nfs/dbraw/zinc/63/33/23/782633323.db2.gz MPLKPZKUNXWLHV-JQWIXIFHSA-N 1 1 322.406 -1.020 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001111854838 782633351 /nfs/dbraw/zinc/63/33/51/782633351.db2.gz VITBWELSCFBWKK-PGUXBMHVSA-N 1 1 323.397 -1.225 20 0 DAADMO NC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111680450 782633393 /nfs/dbraw/zinc/63/33/93/782633393.db2.gz VMGCGNBUCYGVPH-YHAQOWFVSA-N 1 1 322.365 -1.362 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114986593 782637356 /nfs/dbraw/zinc/63/73/56/782637356.db2.gz IWJNORFUOZIKER-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114980565 782637380 /nfs/dbraw/zinc/63/73/80/782637380.db2.gz UBIWGYQSPYSENE-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114980565 782637381 /nfs/dbraw/zinc/63/73/81/782637381.db2.gz UBIWGYQSPYSENE-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111883508 782634453 /nfs/dbraw/zinc/63/44/53/782634453.db2.gz NGZDTEWRJJAMBB-MDZLAQPJSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111883507 782634585 /nfs/dbraw/zinc/63/45/85/782634585.db2.gz NGZDTEWRJJAMBB-GVXVVHGQSA-N 1 1 319.427 -1.113 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111973590 782634691 /nfs/dbraw/zinc/63/46/91/782634691.db2.gz VWJGKOJEGZWHNV-PGUXBMHVSA-N 1 1 324.381 -1.062 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073693 782635020 /nfs/dbraw/zinc/63/50/20/782635020.db2.gz ZMYRWRJHZZBOPQ-BWZBUEFSSA-N 1 1 324.303 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001111906853 782635039 /nfs/dbraw/zinc/63/50/39/782635039.db2.gz SCYVCABGVUHBBV-SDBXPKJASA-N 1 1 322.325 -1.151 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001111906853 782635046 /nfs/dbraw/zinc/63/50/46/782635046.db2.gz SCYVCABGVUHBBV-SDBXPKJASA-N 1 1 322.325 -1.151 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114986786 782637506 /nfs/dbraw/zinc/63/75/06/782637506.db2.gz MTHVMDZZTMSLER-PJXYFTJBSA-N 1 1 322.365 -1.645 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001114969708 782636370 /nfs/dbraw/zinc/63/63/70/782636370.db2.gz ARGLOMMXDAYPIV-GDNZZTSVSA-N 1 1 318.381 -1.112 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001114969708 782636373 /nfs/dbraw/zinc/63/63/73/782636373.db2.gz ARGLOMMXDAYPIV-GDNZZTSVSA-N 1 1 318.381 -1.112 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001114972141 782637214 /nfs/dbraw/zinc/63/72/14/782637214.db2.gz GLUUCVXDNUIRDI-KXNHARMFSA-N 1 1 320.393 -1.162 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033999 782640023 /nfs/dbraw/zinc/64/00/23/782640023.db2.gz VNFRDKXJMLRIIW-PJXYFTJBSA-N 1 1 308.382 -1.353 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115036419 782640076 /nfs/dbraw/zinc/64/00/76/782640076.db2.gz SICDBRRPITYTFJ-ITGUQSILSA-N 1 1 311.382 -1.432 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046157 782640344 /nfs/dbraw/zinc/64/03/44/782640344.db2.gz HGZRTDZXUGOIMI-MSRIBSCDSA-N 1 1 322.369 -1.876 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nncn1C ZINC001115046157 782640354 /nfs/dbraw/zinc/64/03/54/782640354.db2.gz HGZRTDZXUGOIMI-MSRIBSCDSA-N 1 1 322.369 -1.876 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115047253 782640426 /nfs/dbraw/zinc/64/04/26/782640426.db2.gz WXZWYGLSHMYQLT-JDICNCQASA-N 1 1 322.325 -1.838 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115047253 782640429 /nfs/dbraw/zinc/64/04/29/782640429.db2.gz WXZWYGLSHMYQLT-JDICNCQASA-N 1 1 322.325 -1.838 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115100427 782641311 /nfs/dbraw/zinc/64/13/11/782641311.db2.gz ASDGYLVHPMNGRS-BBGACYKPSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098869 782641563 /nfs/dbraw/zinc/64/15/63/782641563.db2.gz PXGVGIUACBKULT-IIDWOEFGSA-N 1 1 307.314 -2.412 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098869 782641566 /nfs/dbraw/zinc/64/15/66/782641566.db2.gz PXGVGIUACBKULT-IIDWOEFGSA-N 1 1 307.314 -2.412 20 0 DAADMO C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(CC(=O)N3CCC3)C[C@H]21 ZINC001115119503 782642358 /nfs/dbraw/zinc/64/23/58/782642358.db2.gz ZAQODRCYVQUMQC-VIKVFOODSA-N 1 1 324.425 -1.157 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115005821 782638661 /nfs/dbraw/zinc/63/86/61/782638661.db2.gz SVYHTNZYITZTIY-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnn1 ZINC001115005821 782638663 /nfs/dbraw/zinc/63/86/63/782638663.db2.gz SVYHTNZYITZTIY-VROVMSAKSA-N 1 1 304.310 -1.669 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017975 782639289 /nfs/dbraw/zinc/63/92/89/782639289.db2.gz JXGLCZVYYIIOJN-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017975 782639296 /nfs/dbraw/zinc/63/92/96/782639296.db2.gz JXGLCZVYYIIOJN-YABSGUDNSA-N 1 1 321.385 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115033082 782639468 /nfs/dbraw/zinc/63/94/68/782639468.db2.gz GLFVEQFZPOXHHO-WUHRBBMRSA-N 1 1 311.382 -1.434 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115032631 782639646 /nfs/dbraw/zinc/63/96/46/782639646.db2.gz BSUZYQLLYLBRBG-PJXYFTJBSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115032631 782639653 /nfs/dbraw/zinc/63/96/53/782639653.db2.gz BSUZYQLLYLBRBG-PJXYFTJBSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115184464 782644578 /nfs/dbraw/zinc/64/45/78/782644578.db2.gz MFKQPXQPQFMDCL-GDGBQDQQSA-N 1 1 318.399 -2.330 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115184464 782644582 /nfs/dbraw/zinc/64/45/82/782644582.db2.gz MFKQPXQPQFMDCL-GDGBQDQQSA-N 1 1 318.399 -2.330 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)ccc1=O ZINC001115206933 782644777 /nfs/dbraw/zinc/64/47/77/782644777.db2.gz HDFWDWWFIISUEM-YABSGUDNSA-N 1 1 322.365 -1.551 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]c1 ZINC001115192294 782644822 /nfs/dbraw/zinc/64/48/22/782644822.db2.gz KDYKGDOZPZYISD-GDGBQDQQSA-N 1 1 319.321 -1.358 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]c1 ZINC001115192294 782644826 /nfs/dbraw/zinc/64/48/26/782644826.db2.gz KDYKGDOZPZYISD-GDGBQDQQSA-N 1 1 319.321 -1.358 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115186183 782644868 /nfs/dbraw/zinc/64/48/68/782644868.db2.gz NLOZMQABGFTOGK-VROVMSAKSA-N 1 1 304.372 -2.591 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115186183 782644872 /nfs/dbraw/zinc/64/48/72/782644872.db2.gz NLOZMQABGFTOGK-VROVMSAKSA-N 1 1 304.372 -2.591 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242712 782647892 /nfs/dbraw/zinc/64/78/92/782647892.db2.gz ASTBPOOYZYIVSM-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC001115206820 782644977 /nfs/dbraw/zinc/64/49/77/782644977.db2.gz DKHJEMDTSIWIKO-KZWBYHQPSA-N 1 1 322.365 -1.552 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115209039 782645814 /nfs/dbraw/zinc/64/58/14/782645814.db2.gz OWIUVWAXORXHAI-IMRBUKKESA-N 1 1 318.381 -1.149 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001115217117 782646001 /nfs/dbraw/zinc/64/60/01/782646001.db2.gz OGQHTPAEXOULSR-IWIIMEHWSA-N 1 1 309.370 -1.677 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115217588 782646434 /nfs/dbraw/zinc/64/64/34/782646434.db2.gz YBPUJUJUKWBPJU-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115217588 782646439 /nfs/dbraw/zinc/64/64/39/782646439.db2.gz YBPUJUJUKWBPJU-KIKITERTSA-N 1 1 323.353 -2.233 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCNC(N)=O)C1=O ZINC001115218684 782646523 /nfs/dbraw/zinc/64/65/23/782646523.db2.gz IKODYCZLQAGDJV-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115218253 782646827 /nfs/dbraw/zinc/64/68/27/782646827.db2.gz AJMGHCBILPHACU-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115218253 782646833 /nfs/dbraw/zinc/64/68/33/782646833.db2.gz AJMGHCBILPHACU-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115218700 782646914 /nfs/dbraw/zinc/64/69/14/782646914.db2.gz ITIPUVBKQXZTOK-MCHASIABSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001115218700 782646916 /nfs/dbraw/zinc/64/69/16/782646916.db2.gz ITIPUVBKQXZTOK-MCHASIABSA-N 1 1 309.326 -2.494 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115123541 782643655 /nfs/dbraw/zinc/64/36/55/782643655.db2.gz RUWXTMGHELDIQR-YKDSUIRESA-N 1 1 311.386 -1.399 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115123541 782643660 /nfs/dbraw/zinc/64/36/60/782643660.db2.gz RUWXTMGHELDIQR-YKDSUIRESA-N 1 1 311.386 -1.399 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)n1 ZINC001115242712 782647886 /nfs/dbraw/zinc/64/78/86/782647886.db2.gz ASTBPOOYZYIVSM-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)N(C)C ZINC001115282079 782650017 /nfs/dbraw/zinc/65/00/17/782650017.db2.gz ICVQGVGJBVOKNI-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358910 782653392 /nfs/dbraw/zinc/65/33/92/782653392.db2.gz NXUXISUWMYPCSD-GOONRYMUSA-N 1 1 306.370 -1.332 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001115296427 782650931 /nfs/dbraw/zinc/65/09/31/782650931.db2.gz RYNWXYWOHCRFKI-CZXHOFHRSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295881 782650976 /nfs/dbraw/zinc/65/09/76/782650976.db2.gz GZKCSSNAQPAPSL-GOONRYMUSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295881 782650983 /nfs/dbraw/zinc/65/09/83/782650983.db2.gz GZKCSSNAQPAPSL-GOONRYMUSA-N 1 1 308.382 -1.177 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115341592 782651716 /nfs/dbraw/zinc/65/17/16/782651716.db2.gz GVVTZYBLMWVZMD-KLBPJQLPSA-N 1 1 311.386 -1.255 20 0 DAADMO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115341592 782651723 /nfs/dbraw/zinc/65/17/23/782651723.db2.gz GVVTZYBLMWVZMD-KLBPJQLPSA-N 1 1 311.386 -1.255 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001115347758 782651828 /nfs/dbraw/zinc/65/18/28/782651828.db2.gz FJVQFTCKLXRSPC-HBYGRHMLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115348432 782652186 /nfs/dbraw/zinc/65/21/86/782652186.db2.gz RONUJLGCPMPYRZ-DEKYYXRVSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@]1(CCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001115367340 782653092 /nfs/dbraw/zinc/65/30/92/782653092.db2.gz XDQSGKTZRBKABW-KTJYFRGRSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@]1(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CCC(=O)N1 ZINC001115367340 782653098 /nfs/dbraw/zinc/65/30/98/782653098.db2.gz XDQSGKTZRBKABW-KTJYFRGRSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)c[nH]1 ZINC001115243303 782648666 /nfs/dbraw/zinc/64/86/66/782648666.db2.gz LTWQIGYIESGJHS-PJXYFTJBSA-N 1 1 322.365 -1.218 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccccn1 ZINC001115281913 782649737 /nfs/dbraw/zinc/64/97/37/782649737.db2.gz DSGNHWQJQBGPQA-MSRIBSCDSA-N 1 1 317.349 -1.657 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccccn1 ZINC001115281913 782649744 /nfs/dbraw/zinc/64/97/44/782649744.db2.gz DSGNHWQJQBGPQA-MSRIBSCDSA-N 1 1 317.349 -1.657 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 ZINC001115269726 782649912 /nfs/dbraw/zinc/64/99/12/782649912.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 ZINC001115269726 782649917 /nfs/dbraw/zinc/64/99/17/782649917.db2.gz MCWFHNVJQSAMCI-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358910 782653397 /nfs/dbraw/zinc/65/33/97/782653397.db2.gz NXUXISUWMYPCSD-GOONRYMUSA-N 1 1 306.370 -1.332 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001115893647 782654743 /nfs/dbraw/zinc/65/47/43/782654743.db2.gz ARDDIYHNTPUVOB-LLVKDONJSA-N 1 1 310.354 -1.139 20 0 DAADMO CNC(=O)Cn1nc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1C ZINC001116438336 782660859 /nfs/dbraw/zinc/66/08/59/782660859.db2.gz BSWABKFTVKBFES-UHFFFAOYSA-N 1 1 322.369 -1.302 20 0 DAADMO COc1ncncc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001116616226 782663905 /nfs/dbraw/zinc/66/39/05/782663905.db2.gz ANORHEWUMKFDCT-CYBMUJFWSA-N 1 1 309.326 -1.394 20 0 DAADMO COc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ncn1 ZINC001116618479 782664675 /nfs/dbraw/zinc/66/46/75/782664675.db2.gz ZBIKVWSNRFHTPZ-CYBMUJFWSA-N 1 1 309.326 -1.394 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001116651020 782665016 /nfs/dbraw/zinc/66/50/16/782665016.db2.gz AHNXIDZJXYGHQZ-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccn(C)c1=O ZINC001116645092 782665088 /nfs/dbraw/zinc/66/50/88/782665088.db2.gz JGDMEGILNAQAIC-UHFFFAOYSA-N 1 1 310.354 -1.246 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)CN1CC[NH+](C)CC1 ZINC001116769604 782667320 /nfs/dbraw/zinc/66/73/20/782667320.db2.gz PPARULYEHHFUIU-CYBMUJFWSA-N 1 1 303.403 -1.236 20 0 DAADMO Cn1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001116976533 782671109 /nfs/dbraw/zinc/67/11/09/782671109.db2.gz CRJLQYXVOLPQLO-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001117016538 782672564 /nfs/dbraw/zinc/67/25/64/782672564.db2.gz BWLLEPBJKQYZMS-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC(O)C1 ZINC001117178564 782678880 /nfs/dbraw/zinc/67/88/80/782678880.db2.gz QJLSEGBRDIXQSN-XVSSEFHLSA-N 1 1 311.382 -1.053 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1CCN(C)C1=O ZINC001117070064 782673577 /nfs/dbraw/zinc/67/35/77/782673577.db2.gz BHYWVKFKCMSINE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001117090809 782674539 /nfs/dbraw/zinc/67/45/39/782674539.db2.gz RZYKTDMGIZRBTP-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001117090809 782674540 /nfs/dbraw/zinc/67/45/40/782674540.db2.gz RZYKTDMGIZRBTP-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1C[N@H+](C)CCO1 ZINC001117098879 782674850 /nfs/dbraw/zinc/67/48/50/782674850.db2.gz VNAGKNYWNOAETQ-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1cnccn1)[C@H]1C[N@@H+](C)CCO1 ZINC001117098879 782674855 /nfs/dbraw/zinc/67/48/55/782674855.db2.gz VNAGKNYWNOAETQ-WCQYABFASA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1C[N@H+](C)CCO1 ZINC001117098880 782674867 /nfs/dbraw/zinc/67/48/67/782674867.db2.gz VNAGKNYWNOAETQ-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1cnccn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117098880 782674871 /nfs/dbraw/zinc/67/48/71/782674871.db2.gz VNAGKNYWNOAETQ-YPMHNXCESA-N 1 1 321.381 -1.029 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC001117079411 782675092 /nfs/dbraw/zinc/67/50/92/782675092.db2.gz KOLVXVLAMMCFKD-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001117090808 782675137 /nfs/dbraw/zinc/67/51/37/782675137.db2.gz RZYKTDMGIZRBTP-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001117090808 782675143 /nfs/dbraw/zinc/67/51/43/782675143.db2.gz RZYKTDMGIZRBTP-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO O=C(NCc1nnnn1C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117124592 782676222 /nfs/dbraw/zinc/67/62/22/782676222.db2.gz XGSUMAOKGYFTPB-SECBINFHSA-N 1 1 319.369 -1.023 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC001117152664 782677179 /nfs/dbraw/zinc/67/71/79/782677179.db2.gz QRJOPXRUEDOQHE-ZDUSSCGKSA-N 1 1 305.350 -1.386 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC(O)C1 ZINC001117178562 782679060 /nfs/dbraw/zinc/67/90/60/782679060.db2.gz QJLSEGBRDIXQSN-IKWCTNDRSA-N 1 1 311.382 -1.053 20 0 DAADMO CN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC(O)C1 ZINC001117178565 782678516 /nfs/dbraw/zinc/67/85/16/782678516.db2.gz QJLSEGBRDIXQSN-YWPUVAFDSA-N 1 1 311.382 -1.053 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nccn2C)C1 ZINC001117314285 782682380 /nfs/dbraw/zinc/68/23/80/782682380.db2.gz FZJJDFHHHHIIEG-NSHDSACASA-N 1 1 309.370 -1.127 20 0 DAADMO CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCNC1=O ZINC001117306124 782682791 /nfs/dbraw/zinc/68/27/91/782682791.db2.gz IQEHIHKZJQORTO-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[S@](C)=O)C1 ZINC001117316230 782684158 /nfs/dbraw/zinc/68/41/58/782684158.db2.gz JLTYGUCLDDUYNF-FVINQWEUSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[S@](C)=O)C1 ZINC001117316230 782684163 /nfs/dbraw/zinc/68/41/63/782684163.db2.gz JLTYGUCLDDUYNF-FVINQWEUSA-N 1 1 305.400 -1.682 20 0 DAADMO CON(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001117338186 782685384 /nfs/dbraw/zinc/68/53/84/782685384.db2.gz LWIBLINIOPMZKA-GFCCVEGCSA-N 1 1 314.386 -1.471 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCOC1 ZINC001117408550 782689562 /nfs/dbraw/zinc/68/95/62/782689562.db2.gz HMQLKNUEYSMXPF-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nnn(C)n2)C[N@H+]1C1CC1 ZINC001117429525 782690882 /nfs/dbraw/zinc/69/08/82/782690882.db2.gz DVZIUURAFKNSMH-BDAKNGLRSA-N 1 1 307.358 -1.432 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001117585699 782695334 /nfs/dbraw/zinc/69/53/34/782695334.db2.gz KEEXICROTUYCLK-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001117585699 782695337 /nfs/dbraw/zinc/69/53/37/782695337.db2.gz KEEXICROTUYCLK-AXFHLTTASA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCNC1=O)[C@H]1C[N@H+](C)CCO1 ZINC001117594909 782696021 /nfs/dbraw/zinc/69/60/21/782696021.db2.gz PATHSRZJOHSYAP-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCNC1=O)[C@H]1C[N@@H+](C)CCO1 ZINC001117594909 782696025 /nfs/dbraw/zinc/69/60/25/782696025.db2.gz PATHSRZJOHSYAP-GARJFASQSA-N 1 1 312.370 -1.831 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC001117605652 782696350 /nfs/dbraw/zinc/69/63/50/782696350.db2.gz IUUXLGKOIZDMPQ-HBNTYKKESA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC001117935693 782702086 /nfs/dbraw/zinc/70/20/86/782702086.db2.gz ZHVKINCUAUBFMD-HNNXBMFYSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@]1(O)CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC001117935693 782702092 /nfs/dbraw/zinc/70/20/92/782702092.db2.gz ZHVKINCUAUBFMD-HNNXBMFYSA-N 1 1 313.398 -1.115 20 0 DAADMO C[NH2+][C@@H](C(=O)NCCCNS(C)(=O)=O)c1cnn(C)c1 ZINC001118256371 782710347 /nfs/dbraw/zinc/71/03/47/782710347.db2.gz QXXPETWUTGROLU-SNVBAGLBSA-N 1 1 303.388 -1.264 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001118271412 782710742 /nfs/dbraw/zinc/71/07/42/782710742.db2.gz NRIATSPMMVEQHX-SECBINFHSA-N 1 1 310.310 -2.316 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001118271412 782710745 /nfs/dbraw/zinc/71/07/45/782710745.db2.gz NRIATSPMMVEQHX-SECBINFHSA-N 1 1 310.310 -2.316 20 0 DAADMO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001118331722 782715260 /nfs/dbraw/zinc/71/52/60/782715260.db2.gz YHFIAQXFXAYUQV-RFQIPJPRSA-N 1 1 324.425 -1.280 20 0 DAADMO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406903 782719797 /nfs/dbraw/zinc/71/97/97/782719797.db2.gz WVQITAHCJYASGG-WQJIUMKZSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406903 782719804 /nfs/dbraw/zinc/71/98/04/782719804.db2.gz WVQITAHCJYASGG-WQJIUMKZSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406899 782719866 /nfs/dbraw/zinc/71/98/66/782719866.db2.gz WVQITAHCJYASGG-GAIBADGVSA-N 1 1 317.411 -1.853 20 0 DAADMO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118406899 782719873 /nfs/dbraw/zinc/71/98/73/782719873.db2.gz WVQITAHCJYASGG-GAIBADGVSA-N 1 1 317.411 -1.853 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCNC1=O ZINC001118610247 782728180 /nfs/dbraw/zinc/72/81/80/782728180.db2.gz JTEMIHQWECDDHF-CHWSQXEVSA-N 1 1 310.398 -1.355 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CC2)CS1(=O)=O ZINC001118552080 782725551 /nfs/dbraw/zinc/72/55/51/782725551.db2.gz FTADWTFMHXTFQH-VHSXEESVSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CC2)CS1(=O)=O ZINC001118552081 782725743 /nfs/dbraw/zinc/72/57/43/782725743.db2.gz FTADWTFMHXTFQH-ZJUUUORDSA-N 1 1 303.384 -1.500 20 0 DAADMO O=C(C[NH+]1CCC(O)(CO)CC1)NCCCN1CCCC1=O ZINC001118564370 782726472 /nfs/dbraw/zinc/72/64/72/782726472.db2.gz SHXJJIFMPKUUJC-UHFFFAOYSA-N 1 1 313.398 -1.066 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726633 /nfs/dbraw/zinc/72/66/33/782726633.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726640 /nfs/dbraw/zinc/72/66/40/782726640.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@@H+](C/C=C\CN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726654 /nfs/dbraw/zinc/72/66/54/782726654.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CC[N@H+](C/C=C\CN2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726664 /nfs/dbraw/zinc/72/66/64/782726664.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726674 /nfs/dbraw/zinc/72/66/74/782726674.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO OC[C@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001118558121 782726682 /nfs/dbraw/zinc/72/66/82/782726682.db2.gz MXNVHSYDYSENPA-UYRVCGCOSA-N 1 1 314.426 -1.107 20 0 DAADMO O=C(N[C@H]1CCOC1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001118609508 782728509 /nfs/dbraw/zinc/72/85/09/782728509.db2.gz CTWZESCXIBTOLD-AAEUAGOBSA-N 1 1 311.382 -1.051 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCOCC1 ZINC001118865589 782735748 /nfs/dbraw/zinc/73/57/48/782735748.db2.gz OTUMLLDLMLRVBK-LLVKDONJSA-N 1 1 310.398 -1.037 20 0 DAADMO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CCOCC1 ZINC001118865589 782735751 /nfs/dbraw/zinc/73/57/51/782735751.db2.gz OTUMLLDLMLRVBK-LLVKDONJSA-N 1 1 310.398 -1.037 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1=CC[N@H+](C)CC1 ZINC001118867640 782737091 /nfs/dbraw/zinc/73/70/91/782737091.db2.gz NBEBNMSKGRQVLW-WCQYABFASA-N 1 1 310.398 -1.142 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1COCCN1)C1=CC[N@@H+](C)CC1 ZINC001118867640 782737097 /nfs/dbraw/zinc/73/70/97/782737097.db2.gz NBEBNMSKGRQVLW-WCQYABFASA-N 1 1 310.398 -1.142 20 0 DAADMO NC(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC001118879158 782739172 /nfs/dbraw/zinc/73/91/72/782739172.db2.gz SBBDTENFGOIMJI-GFCCVEGCSA-N 1 1 320.349 -1.093 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001118921563 782741218 /nfs/dbraw/zinc/74/12/18/782741218.db2.gz XRSSOCNKRUZKDF-NXEZZACHSA-N 1 1 324.337 -1.926 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)CC[C@@H]21 ZINC001119028239 782745180 /nfs/dbraw/zinc/74/51/80/782745180.db2.gz LMNQNEGYFHORJK-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO CCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)CCOC)C1=O ZINC001119071693 782746250 /nfs/dbraw/zinc/74/62/50/782746250.db2.gz VSTKDDSNGOYVNI-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)C[C@H]2C1=O ZINC001119109835 782747665 /nfs/dbraw/zinc/74/76/65/782747665.db2.gz BZFXOKXIVVTHOK-PHIMTYICSA-N 1 1 322.365 -1.730 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084774 782749430 /nfs/dbraw/zinc/74/94/30/782749430.db2.gz ZDCMYNYNWHTWSB-NWDGAFQWSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084774 782749437 /nfs/dbraw/zinc/74/94/37/782749437.db2.gz ZDCMYNYNWHTWSB-NWDGAFQWSA-N 1 1 314.386 -1.407 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001119189740 782749975 /nfs/dbraw/zinc/74/99/75/782749975.db2.gz XIZVFXLZMMQKBB-XQQFMLRXSA-N 1 1 310.398 -1.547 20 0 DAADMO CCOCCNC(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC001119253690 782751427 /nfs/dbraw/zinc/75/14/27/782751427.db2.gz NPEJCRYLEQMSFY-UHFFFAOYSA-N 1 1 301.387 -1.040 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC001119351907 782752749 /nfs/dbraw/zinc/75/27/49/782752749.db2.gz MEVBEJGUUBDNIS-STQMWFEESA-N 1 1 311.430 -1.312 20 0 DAADMO Cn1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nn1 ZINC001119380253 782753168 /nfs/dbraw/zinc/75/31/68/782753168.db2.gz UHKURTPSKFZLRC-QWRGUYRKSA-N 1 1 322.369 -1.189 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC=C[C@@H]1CO)CN1CC[NH+](C)CC1 ZINC001119530584 782753864 /nfs/dbraw/zinc/75/38/64/782753864.db2.gz HUOMBEWBIBRWKN-ZIAGYGMSSA-N 1 1 324.425 -1.255 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001282366065 775119723 /nfs/dbraw/zinc/11/97/23/775119723.db2.gz HNPDVRBDNPLAIA-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001282366065 775119729 /nfs/dbraw/zinc/11/97/29/775119729.db2.gz HNPDVRBDNPLAIA-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001266248359 775120215 /nfs/dbraw/zinc/12/02/15/775120215.db2.gz KQBLJZKLVXNUHY-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)Cn2ccnc2)CC1 ZINC001266279142 775121335 /nfs/dbraw/zinc/12/13/35/775121335.db2.gz FGWURMFIRLUNRB-UHFFFAOYSA-N 1 1 308.386 -1.508 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208339201 775122827 /nfs/dbraw/zinc/12/28/27/775122827.db2.gz YNAOPWJLNLCRLR-GHMZBOCLSA-N 1 1 312.374 -1.077 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001266316348 775128394 /nfs/dbraw/zinc/12/83/94/775128394.db2.gz BEIQEOGWJNINJX-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001266319509 775129381 /nfs/dbraw/zinc/12/93/81/775129381.db2.gz MYASJAGVOHFTLT-STQMWFEESA-N 1 1 302.371 -1.009 20 0 DAADMO COC[C@H](OC)C(=O)NCC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266324086 775131716 /nfs/dbraw/zinc/13/17/16/775131716.db2.gz VDFRZBWTBVNBCN-ZJUUUORDSA-N 1 1 301.343 -1.499 20 0 DAADMO COC[C@H](OC)C(=O)NCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001266324086 775131718 /nfs/dbraw/zinc/13/17/18/775131718.db2.gz VDFRZBWTBVNBCN-ZJUUUORDSA-N 1 1 301.343 -1.499 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NS(C)(=O)=O ZINC001114941942 775132833 /nfs/dbraw/zinc/13/28/33/775132833.db2.gz HJOGWEBAUPLBHQ-ZNSHCXBVSA-N 1 1 319.427 -1.259 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266344539 775133053 /nfs/dbraw/zinc/13/30/53/775133053.db2.gz IUGDWEXWFOGMTL-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001266344540 775133262 /nfs/dbraw/zinc/13/32/62/775133262.db2.gz IUGDWEXWFOGMTL-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346799 775133667 /nfs/dbraw/zinc/13/36/67/775133667.db2.gz HHHYKTPZBGYTBX-NXEZZACHSA-N 1 1 322.365 -1.492 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001266346799 775133676 /nfs/dbraw/zinc/13/36/76/775133676.db2.gz HHHYKTPZBGYTBX-NXEZZACHSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001266359444 775134726 /nfs/dbraw/zinc/13/47/26/775134726.db2.gz VPDBQOHJONEIJS-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266357001 775136084 /nfs/dbraw/zinc/13/60/84/775136084.db2.gz JSXQKHOUZSWKMI-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001266357001 775136086 /nfs/dbraw/zinc/13/60/86/775136086.db2.gz JSXQKHOUZSWKMI-SECBINFHSA-N 1 1 313.358 -1.808 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001098528551 775137972 /nfs/dbraw/zinc/13/79/72/775137972.db2.gz KLKBYBIZVJKQON-UHFFFAOYSA-N 1 1 310.358 -1.882 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)[C@H]1CCC(=O)NC1=O ZINC001266386026 775138569 /nfs/dbraw/zinc/13/85/69/775138569.db2.gz OVUIPABSMNARGC-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1cnnn1)[C@@H]1CCC(=O)NC1=O ZINC001266425436 775139900 /nfs/dbraw/zinc/13/99/00/775139900.db2.gz ONPNEKYNGOOBOK-SNVBAGLBSA-N 1 1 323.357 -1.694 20 0 DAADMO NC(=O)CN(CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534815 775144989 /nfs/dbraw/zinc/14/49/89/775144989.db2.gz HLDOUMOGBLZSCZ-UHFFFAOYSA-N 1 1 324.425 -1.147 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001266505197 775146276 /nfs/dbraw/zinc/14/62/76/775146276.db2.gz FLERBYPUAOSLOL-SECBINFHSA-N 1 1 311.342 -2.148 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCOCCO)C1)[C@H]1CCNC(=O)C1 ZINC001266508111 775146761 /nfs/dbraw/zinc/14/67/61/775146761.db2.gz GDWARNLSUWVVEV-STQMWFEESA-N 1 1 313.398 -1.040 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001266503667 775146837 /nfs/dbraw/zinc/14/68/37/775146837.db2.gz YDGKPMBRNWZKSD-NSHDSACASA-N 1 1 303.359 -1.211 20 0 DAADMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001266518051 775147793 /nfs/dbraw/zinc/14/77/93/775147793.db2.gz SJIKFOBOPJHYGD-NXEZZACHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)N1C(=O)CCC1=O ZINC001266518052 775148783 /nfs/dbraw/zinc/14/87/83/775148783.db2.gz SJIKFOBOPJHYGD-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001266528286 775149624 /nfs/dbraw/zinc/14/96/24/775149624.db2.gz NBNAXVKNJWDMSL-QWRGUYRKSA-N 1 1 317.411 -1.265 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001266519472 775149752 /nfs/dbraw/zinc/14/97/52/775149752.db2.gz MKKDDYKSOAFAAF-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001266528256 775150089 /nfs/dbraw/zinc/15/00/89/775150089.db2.gz MOTYPVQEBUCYNV-LLVKDONJSA-N 1 1 317.411 -1.265 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001266537347 775153904 /nfs/dbraw/zinc/15/39/04/775153904.db2.gz JWFNPUFDHYEABM-GFCCVEGCSA-N 1 1 313.398 -1.040 20 0 DAADMO O=C(Cc1cnc[nH]1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001167355666 775156470 /nfs/dbraw/zinc/15/64/70/775156470.db2.gz VECYEFCWRBMRFG-UHFFFAOYSA-N 1 1 309.370 -1.093 20 0 DAADMO CN(CC[NH2+]CCCNC(=O)Cc1cnc[nH]1)S(C)(=O)=O ZINC001167355705 775156699 /nfs/dbraw/zinc/15/66/99/775156699.db2.gz WNYODDPFWJRLSZ-UHFFFAOYSA-N 1 1 317.415 -1.061 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001125419397 775156958 /nfs/dbraw/zinc/15/69/58/775156958.db2.gz BCGXCVIIIGMKJP-LLVKDONJSA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001125419664 775156968 /nfs/dbraw/zinc/15/69/68/775156968.db2.gz PBEZBDMGTIHHME-UHFFFAOYSA-N 1 1 324.385 -1.262 20 0 DAADMO CN1CCN(c2cc(-n3cnc(C[NH3+])cc3=N)ncn2)CC1=O ZINC001167355088 775157239 /nfs/dbraw/zinc/15/72/39/775157239.db2.gz PSTQGWNMBUELJF-UHFFFAOYSA-N 1 1 314.353 -1.121 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114947810 775158620 /nfs/dbraw/zinc/15/86/20/775158620.db2.gz RDORNXFKITUAEY-YABSGUDNSA-N 1 1 306.370 -1.197 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001167388106 775160045 /nfs/dbraw/zinc/16/00/45/775160045.db2.gz FRJIKBIPQLENOJ-QMMMGPOBSA-N 1 1 324.341 -1.174 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)CCN1C(=O)CCC1=O)C1CC1 ZINC001266600562 775160305 /nfs/dbraw/zinc/16/03/05/775160305.db2.gz ZAVYFRRYEFMBOB-UHFFFAOYSA-N 1 1 310.354 -1.409 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)CCN1C(=O)CCC1=O)C1CC1 ZINC001266600562 775160317 /nfs/dbraw/zinc/16/03/17/775160317.db2.gz ZAVYFRRYEFMBOB-UHFFFAOYSA-N 1 1 310.354 -1.409 20 0 DAADMO CN(CC[NH2+]Cc1cn(CC2CC2)nn1)C(=O)Cn1cnnn1 ZINC001266636985 775165592 /nfs/dbraw/zinc/16/55/92/775165592.db2.gz UWSGTCRHCXAGMY-UHFFFAOYSA-N 1 1 319.373 -1.077 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471553 775167146 /nfs/dbraw/zinc/16/71/46/775167146.db2.gz PZSVDBSFXSMYTK-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471553 775167149 /nfs/dbraw/zinc/16/71/49/775167149.db2.gz PZSVDBSFXSMYTK-TVQRCGJNSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471554 775167285 /nfs/dbraw/zinc/16/72/85/775167285.db2.gz PZSVDBSFXSMYTK-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001279471554 775167288 /nfs/dbraw/zinc/16/72/88/775167288.db2.gz PZSVDBSFXSMYTK-ZANVPECISA-N 1 1 300.359 -2.061 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149255829 775168542 /nfs/dbraw/zinc/16/85/42/775168542.db2.gz GUXVHFGBTLHBMZ-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149255829 775168543 /nfs/dbraw/zinc/16/85/43/775168543.db2.gz GUXVHFGBTLHBMZ-VHSXEESVSA-N 1 1 316.358 -1.577 20 0 DAADMO CCNC(=O)CC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001279223675 775169348 /nfs/dbraw/zinc/16/93/48/775169348.db2.gz IEINKYLMDZGFJJ-UHFFFAOYSA-N 1 1 309.374 -1.185 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](COC)OC)C1 ZINC001283047644 775170832 /nfs/dbraw/zinc/17/08/32/775170832.db2.gz LSSDOEMLYFCGKP-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H](COC)OC)C1 ZINC001283047644 775170838 /nfs/dbraw/zinc/17/08/38/775170838.db2.gz LSSDOEMLYFCGKP-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C1CS(=O)(=O)C1 ZINC001266710543 775172508 /nfs/dbraw/zinc/17/25/08/775172508.db2.gz UZHRDSNIOTYZIO-UHFFFAOYSA-N 1 1 301.372 -1.592 20 0 DAADMO CCn1ncc(C[NH2+]CCN(C)C(=O)CN2CCOCC2=O)n1 ZINC001266726295 775174178 /nfs/dbraw/zinc/17/41/78/775174178.db2.gz PAERZTIPUSBANS-UHFFFAOYSA-N 1 1 324.385 -1.295 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767957 775176911 /nfs/dbraw/zinc/17/69/11/775176911.db2.gz VEGQYXBYPRGUPU-VIFPVBQESA-N 1 1 311.342 -2.148 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767957 775176920 /nfs/dbraw/zinc/17/69/20/775176920.db2.gz VEGQYXBYPRGUPU-VIFPVBQESA-N 1 1 311.342 -2.148 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)c1coc(C(N)=O)c1 ZINC001266787165 775178770 /nfs/dbraw/zinc/17/87/70/775178770.db2.gz FIFSHZJBEVQTSE-UHFFFAOYSA-N 1 1 307.314 -1.236 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)CCn1ncn(C)c1=O ZINC001266787855 775179097 /nfs/dbraw/zinc/17/90/97/775179097.db2.gz PDENQLZFMCADRE-UHFFFAOYSA-N 1 1 321.385 -1.046 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[nH]n1 ZINC001125546481 775183529 /nfs/dbraw/zinc/18/35/29/775183529.db2.gz DRVSFMPEXRYGRL-UHFFFAOYSA-N 1 1 317.415 -1.142 20 0 DAADMO Cc1cc(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)[nH]n1 ZINC001125546579 775183881 /nfs/dbraw/zinc/18/38/81/775183881.db2.gz HJQPYGILFJJTBR-UHFFFAOYSA-N 1 1 322.369 -1.045 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001098556733 775183979 /nfs/dbraw/zinc/18/39/79/775183979.db2.gz ZABXKFKPYSQMTM-UHFFFAOYSA-N 1 1 315.374 -2.185 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001098556095 775184011 /nfs/dbraw/zinc/18/40/11/775184011.db2.gz GCHOESCHOFEDIW-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901203 775186290 /nfs/dbraw/zinc/18/62/90/775186290.db2.gz HEBIWEMARKNOMZ-GPMNSPGJSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901203 775186297 /nfs/dbraw/zinc/18/62/97/775186297.db2.gz HEBIWEMARKNOMZ-GPMNSPGJSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901206 775186346 /nfs/dbraw/zinc/18/63/46/775186346.db2.gz HEBIWEMARKNOMZ-QMUJVDTISA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901206 775186351 /nfs/dbraw/zinc/18/63/51/775186351.db2.gz HEBIWEMARKNOMZ-QMUJVDTISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001283256321 775186732 /nfs/dbraw/zinc/18/67/32/775186732.db2.gz JEZGBPDJUTXCHW-WDEREUQCSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001283256320 775186761 /nfs/dbraw/zinc/18/67/61/775186761.db2.gz JEZGBPDJUTXCHW-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001266966791 775189969 /nfs/dbraw/zinc/18/99/69/775189969.db2.gz CJWCIYFFRSLSMB-SECBINFHSA-N 1 1 309.374 -1.057 20 0 DAADMO C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001266979077 775190590 /nfs/dbraw/zinc/19/05/90/775190590.db2.gz XZXPKDHXIJAOHR-QMMMGPOBSA-N 1 1 308.342 -1.538 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)c1nnc[nH]1 ZINC001114989673 775191244 /nfs/dbraw/zinc/19/12/44/775191244.db2.gz UMCJTJULUISSMJ-URLYPYJESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21)c1ncn[nH]1 ZINC001114989673 775191252 /nfs/dbraw/zinc/19/12/52/775191252.db2.gz UMCJTJULUISSMJ-URLYPYJESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)c1ncn[nH]1 ZINC001114989673 775191255 /nfs/dbraw/zinc/19/12/55/775191255.db2.gz UMCJTJULUISSMJ-URLYPYJESA-N 1 1 304.354 -1.009 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](C)CNC(=O)CN2C(=O)CNC2=O)nc1 ZINC001266990976 775192331 /nfs/dbraw/zinc/19/23/31/775192331.db2.gz BXCINXGDRHFUBJ-JTQLQIEISA-N 1 1 320.353 -1.069 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN1C(=O)CNC1=O)c1nncn1C ZINC001266991612 775193305 /nfs/dbraw/zinc/19/33/05/775193305.db2.gz NYVLMRGWRAYTNP-DTWKUNHWSA-N 1 1 323.357 -1.478 20 0 DAADMO C[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001266992008 775193450 /nfs/dbraw/zinc/19/34/50/775193450.db2.gz XJLCQHPAHADGCL-WPRPVWTQSA-N 1 1 323.357 -1.602 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)CC(N)=O)CC2)C1 ZINC001098561205 775197772 /nfs/dbraw/zinc/19/77/72/775197772.db2.gz WUGAMAVCAXXOBV-GFCCVEGCSA-N 1 1 312.414 -1.291 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)CC(N)=O)CC2)C1 ZINC001098561205 775197774 /nfs/dbraw/zinc/19/77/74/775197774.db2.gz WUGAMAVCAXXOBV-GFCCVEGCSA-N 1 1 312.414 -1.291 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267112070 775204686 /nfs/dbraw/zinc/20/46/86/775204686.db2.gz VSOOIFSRYWAUSW-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267112070 775204688 /nfs/dbraw/zinc/20/46/88/775204688.db2.gz VSOOIFSRYWAUSW-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CCS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267117434 775206596 /nfs/dbraw/zinc/20/65/96/775206596.db2.gz SLCQXWSXYSZFGD-UHFFFAOYSA-N 1 1 303.388 -1.202 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1CCNC(=O)C1 ZINC001125615593 775207601 /nfs/dbraw/zinc/20/76/01/775207601.db2.gz NJCLZSBGOKDLAL-JTQLQIEISA-N 1 1 322.369 -1.460 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CCNC(=O)C1 ZINC001125615594 775208013 /nfs/dbraw/zinc/20/80/13/775208013.db2.gz NJCLZSBGOKDLAL-SNVBAGLBSA-N 1 1 322.369 -1.460 20 0 DAADMO Cc1ncncc1C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001267187065 775210446 /nfs/dbraw/zinc/21/04/46/775210446.db2.gz OANZPFQDNODYPY-UHFFFAOYSA-N 1 1 320.353 -1.002 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198957 775212406 /nfs/dbraw/zinc/21/24/06/775212406.db2.gz DTCBTMVSQJWHMI-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CCN1C[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198957 775212418 /nfs/dbraw/zinc/21/24/18/775212418.db2.gz DTCBTMVSQJWHMI-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@H+](CCNC(=O)CCCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001267199061 775212563 /nfs/dbraw/zinc/21/25/63/775212563.db2.gz IRMNUEXXIBDBPU-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[N@@H+](CCNC(=O)CCCN1C(=O)CCC1=O)[C@@H]1CCNC1=O ZINC001267199061 775212568 /nfs/dbraw/zinc/21/25/68/775212568.db2.gz IRMNUEXXIBDBPU-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267200915 775212747 /nfs/dbraw/zinc/21/27/47/775212747.db2.gz SUJJFEKGTYTNRS-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267200915 775212757 /nfs/dbraw/zinc/21/27/57/775212757.db2.gz SUJJFEKGTYTNRS-UWVGGRQHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267200913 775213387 /nfs/dbraw/zinc/21/33/87/775213387.db2.gz SUJJFEKGTYTNRS-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1=O ZINC001267200913 775213392 /nfs/dbraw/zinc/21/33/92/775213392.db2.gz SUJJFEKGTYTNRS-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111768227 775214270 /nfs/dbraw/zinc/21/42/70/775214270.db2.gz WUUXWSBCBKVRFD-AAEUAGOBSA-N 1 1 319.427 -1.111 20 0 DAADMO C[N@@H+](CCNC(=O)[C@]1(C)CCNC1=O)C[C@@H](O)Cn1cccn1 ZINC001267217746 775214626 /nfs/dbraw/zinc/21/46/26/775214626.db2.gz OLSLGCINEHAXEH-IUODEOHRSA-N 1 1 323.397 -1.182 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001267211068 775214974 /nfs/dbraw/zinc/21/49/74/775214974.db2.gz SQMVVOXQJVERHH-UHFFFAOYSA-N 1 1 309.330 -1.673 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)n1 ZINC001114949264 775215161 /nfs/dbraw/zinc/21/51/61/775215161.db2.gz JWZOPTCNIXPWLP-IMSYWVGJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)n1 ZINC001114949264 775215166 /nfs/dbraw/zinc/21/51/66/775215166.db2.gz JWZOPTCNIXPWLP-IMSYWVGJSA-N 1 1 320.353 -1.038 20 0 DAADMO C[C@@H](O)CCC[N@@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001267229105 775215195 /nfs/dbraw/zinc/21/51/95/775215195.db2.gz IKTMYJKNMZUZCJ-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@@H](C[N@H+](C)CCNC(=O)C1(C(N)=O)CC1)CS(C)(=O)=O ZINC001267214334 775215625 /nfs/dbraw/zinc/21/56/25/775215625.db2.gz UDDPEZWCSZBZJO-JTQLQIEISA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1)CS(C)(=O)=O ZINC001267214334 775215634 /nfs/dbraw/zinc/21/56/34/775215634.db2.gz UDDPEZWCSZBZJO-JTQLQIEISA-N 1 1 319.427 -1.019 20 0 DAADMO Cc1c[nH]c(C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)n1 ZINC001267221266 775215699 /nfs/dbraw/zinc/21/56/99/775215699.db2.gz ZWBVBXCDQHWOQT-UHFFFAOYSA-N 1 1 308.342 -1.068 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001267220161 775215843 /nfs/dbraw/zinc/21/58/43/775215843.db2.gz KMCBUOJCFLJICA-SECBINFHSA-N 1 1 314.342 -1.510 20 0 DAADMO Cn1c(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001267211844 775216133 /nfs/dbraw/zinc/21/61/33/775216133.db2.gz IFNPLTLIBBPPDV-QMMMGPOBSA-N 1 1 309.326 -1.408 20 0 DAADMO Cn1c(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001267211844 775216139 /nfs/dbraw/zinc/21/61/39/775216139.db2.gz IFNPLTLIBBPPDV-QMMMGPOBSA-N 1 1 309.326 -1.408 20 0 DAADMO C[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@H]1CCC(=O)NC1=O ZINC001267213278 775216175 /nfs/dbraw/zinc/21/61/75/775216175.db2.gz GKJDYPBRKCHUIG-VIFPVBQESA-N 1 1 307.310 -1.763 20 0 DAADMO C[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@H]1CCC(=O)NC1=O ZINC001267213278 775216180 /nfs/dbraw/zinc/21/61/80/775216180.db2.gz GKJDYPBRKCHUIG-VIFPVBQESA-N 1 1 307.310 -1.763 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@@H]1CCCNC1=O ZINC001267229301 775217516 /nfs/dbraw/zinc/21/75/16/775217516.db2.gz LZDNPUKRDXAOOF-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@@H]1CCCNC1=O ZINC001267229301 775217523 /nfs/dbraw/zinc/21/75/23/775217523.db2.gz LZDNPUKRDXAOOF-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)CCCN1C(=O)CNC1=O ZINC001267229590 775217563 /nfs/dbraw/zinc/21/75/63/775217563.db2.gz QJXZVNLOHUOEQZ-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCC(=O)NC1=O ZINC001267241766 775218197 /nfs/dbraw/zinc/21/81/97/775218197.db2.gz KHPRTHHKSVFIPS-SECBINFHSA-N 1 1 309.330 -2.084 20 0 DAADMO C[N@@H+](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)CCn1cccn1 ZINC001267229843 775218492 /nfs/dbraw/zinc/21/84/92/775218492.db2.gz UZFRYYLZMTXYKM-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC1=O)CCN1CCNC1=O ZINC001267247547 775219190 /nfs/dbraw/zinc/21/91/90/775219190.db2.gz QLQXRWBMMRTPLS-NSHDSACASA-N 1 1 311.386 -1.414 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)CCN1CCNC1=O ZINC001267247546 775220406 /nfs/dbraw/zinc/22/04/06/775220406.db2.gz QLQXRWBMMRTPLS-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCOCCO)C1 ZINC001267263489 775220423 /nfs/dbraw/zinc/22/04/23/775220423.db2.gz JYXCOLAIMNDTMP-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125676897 775221131 /nfs/dbraw/zinc/22/11/31/775221131.db2.gz XQVXDKJNZNNYPV-SNVBAGLBSA-N 1 1 323.353 -1.033 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267281742 775222454 /nfs/dbraw/zinc/22/24/54/775222454.db2.gz KYWNPXVPMFJNHA-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)C(N)=O)CCN1C(=O)CNC1=O ZINC001267313225 775226747 /nfs/dbraw/zinc/22/67/47/775226747.db2.gz CLDVZTRXXGOHEV-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO CCCn1ncnc1C[NH2+]CCN(C)C(=O)Cn1cnnn1 ZINC001267344303 775227681 /nfs/dbraw/zinc/22/76/81/775227681.db2.gz UPWOTHZDCCSHAK-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CC(C)[N@@H+](CCCNC(=O)C[C@@H]1CC(=O)NC1=O)CC(N)=O ZINC001267341169 775227848 /nfs/dbraw/zinc/22/78/48/775227848.db2.gz VXTGGYMDJHHBIV-SNVBAGLBSA-N 1 1 312.370 -1.259 20 0 DAADMO NC(=O)CC(=O)NCC[N@@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC001267322581 775228611 /nfs/dbraw/zinc/22/86/11/775228611.db2.gz IMBSEMKORKWIQB-UHFFFAOYSA-N 1 1 311.342 -2.006 20 0 DAADMO Cc1nonc1C[NH2+]CCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001279660030 775228676 /nfs/dbraw/zinc/22/86/76/775228676.db2.gz DIRBIMSZNFKHCM-LBPRGKRZSA-N 1 1 314.342 -1.296 20 0 DAADMO CCC(=O)NCC(=O)N(C)CC[NH2+]Cc1nnc2n1CCOC2 ZINC001267355519 775230199 /nfs/dbraw/zinc/23/01/99/775230199.db2.gz UOGPGHMSIUXLMB-UHFFFAOYSA-N 1 1 324.385 -1.118 20 0 DAADMO Cc1cnn(CC(=O)N(CCO)CC[NH2+]Cc2nncn2C)c1 ZINC001279667937 775231900 /nfs/dbraw/zinc/23/19/00/775231900.db2.gz WEZHEECHHJJLEZ-UHFFFAOYSA-N 1 1 321.385 -1.069 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001267381272 775231928 /nfs/dbraw/zinc/23/19/28/775231928.db2.gz YBTSVZTZRNCOIM-UHFFFAOYSA-N 1 1 312.374 -1.532 20 0 DAADMO CN(CC[NH2+]Cc1ccn(C)n1)C(=O)CCNS(C)(=O)=O ZINC001267379681 775232367 /nfs/dbraw/zinc/23/23/67/775232367.db2.gz CLDDNKFKHRGUHU-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111771227 775232540 /nfs/dbraw/zinc/23/25/40/775232540.db2.gz ZMOUJLAJZOYECZ-PGUXBMHVSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C(=O)NCC(F)F ZINC001267393915 775235992 /nfs/dbraw/zinc/23/59/92/775235992.db2.gz XZKJVYWWVUWTTN-UHFFFAOYSA-N 1 1 304.301 -1.256 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414857 775237287 /nfs/dbraw/zinc/23/72/87/775237287.db2.gz SAPRNSUMLMFELA-JTQLQIEISA-N 1 1 322.373 -1.420 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001267398861 775237370 /nfs/dbraw/zinc/23/73/70/775237370.db2.gz BPDDDULNLMPIQP-UHFFFAOYSA-N 1 1 321.341 -1.674 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001267407760 775237402 /nfs/dbraw/zinc/23/74/02/775237402.db2.gz QDFBPKXNJIAWTG-GMXVVIOVSA-N 1 1 324.385 -1.190 20 0 DAADMO Cc1cc(C[NH2+]CCN(C)C(=O)CN2CCNC(=O)C2)nn1C ZINC001267412032 775237590 /nfs/dbraw/zinc/23/75/90/775237590.db2.gz HCGIIIVODSKJCY-UHFFFAOYSA-N 1 1 322.413 -1.292 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCO ZINC001267405958 775237657 /nfs/dbraw/zinc/23/76/57/775237657.db2.gz SDNMEZGMBNHAQE-TXEJJXNPSA-N 1 1 310.358 -1.643 20 0 DAADMO CN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)C1(C(N)=O)CC1 ZINC001267421829 775238518 /nfs/dbraw/zinc/23/85/18/775238518.db2.gz RFZBUJMASMSJDC-UHFFFAOYSA-N 1 1 322.369 -1.378 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001267435174 775240433 /nfs/dbraw/zinc/24/04/33/775240433.db2.gz UMVWLDOTKZMEGW-QMMMGPOBSA-N 1 1 309.330 -2.039 20 0 DAADMO CN(CC[NH2+]Cc1cn(C)nn1)C(=O)C1CC(=O)NC(=O)C1 ZINC001267440309 775240447 /nfs/dbraw/zinc/24/04/47/775240447.db2.gz OUTZRMVXWZOUSM-UHFFFAOYSA-N 1 1 308.342 -1.584 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)CN1CCC(=O)NC1=O ZINC001267452186 775240747 /nfs/dbraw/zinc/24/07/47/775240747.db2.gz FCAYYGINSGKODL-UHFFFAOYSA-N 1 1 323.357 -1.695 20 0 DAADMO Cc1cc(C[NH2+]CCN(C)C(=O)CN2C(=O)CNC2=O)nn1C ZINC001267465290 775242123 /nfs/dbraw/zinc/24/21/23/775242123.db2.gz BQYXTKSEUCZXTN-UHFFFAOYSA-N 1 1 322.369 -1.172 20 0 DAADMO CN(CC[NH2+]Cc1nnc2n1CCOC2)C(=O)Cn1cncn1 ZINC001267464981 775242730 /nfs/dbraw/zinc/24/27/30/775242730.db2.gz BBGOQKVBMPMWEY-UHFFFAOYSA-N 1 1 320.357 -1.352 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114944497 775242953 /nfs/dbraw/zinc/24/29/53/775242953.db2.gz GUDSFAAKLHTWKI-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267466869 775242978 /nfs/dbraw/zinc/24/29/78/775242978.db2.gz UWEDAQDQAQRQDD-SNVBAGLBSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@@H]3C2(C)C)n1 ZINC001087299338 775247418 /nfs/dbraw/zinc/24/74/18/775247418.db2.gz UJRKCDCSRBAPRE-IEBDPFPHSA-N 1 1 321.385 -1.086 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@@H]3C2(C)C)n1 ZINC001087299338 775247425 /nfs/dbraw/zinc/24/74/25/775247425.db2.gz UJRKCDCSRBAPRE-IEBDPFPHSA-N 1 1 321.385 -1.086 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]21 ZINC001087286682 775247665 /nfs/dbraw/zinc/24/76/65/775247665.db2.gz VRPAQHWSYQOYOI-ZWKOPEQDSA-N 1 1 321.385 -1.236 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)c1cncnc1 ZINC001279695211 775248670 /nfs/dbraw/zinc/24/86/70/775248670.db2.gz LCGUZQIITFSJST-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087335755 775248972 /nfs/dbraw/zinc/24/89/72/775248972.db2.gz PYXDJISHDWQROJ-LOWDOPEQSA-N 1 1 306.370 -1.166 20 0 DAADMO CC(=O)N1CC(C(=O)N(CCO)CC[NH2+]Cc2nccn2C)C1 ZINC001279695034 775249282 /nfs/dbraw/zinc/24/92/82/775249282.db2.gz GFBICGBWXDYVOC-UHFFFAOYSA-N 1 1 323.397 -1.191 20 0 DAADMO CN(CC[NH+]1CCN(Cc2ncnn2C)CC1)C(=O)CC(N)=O ZINC001267573537 775250780 /nfs/dbraw/zinc/25/07/80/775250780.db2.gz HSOKXOPOPSLWFA-UHFFFAOYSA-N 1 1 323.401 -1.734 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267587892 775252310 /nfs/dbraw/zinc/25/23/10/775252310.db2.gz DIEMYKAJZCJVOI-JTQLQIEISA-N 1 1 320.415 -1.857 20 0 DAADMO C[N@@H+](CCOCCO)C[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001267586945 775252899 /nfs/dbraw/zinc/25/28/99/775252899.db2.gz CLIQQWMPJLNEPR-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098604297 775260671 /nfs/dbraw/zinc/26/06/71/775260671.db2.gz LRWJDWMKWHWDPM-GXFFZTMASA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001267658865 775262166 /nfs/dbraw/zinc/26/21/66/775262166.db2.gz SYMZHIIEGUMZRU-IUCAKERBSA-N 1 1 311.342 -2.150 20 0 DAADMO COCCOC[C@@H](O)CN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267669341 775265358 /nfs/dbraw/zinc/26/53/58/775265358.db2.gz HHJUSYXOUYSTLZ-JSGCOSHPSA-N 1 1 315.414 -1.238 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267669063 775265540 /nfs/dbraw/zinc/26/55/40/775265540.db2.gz VWNPCUASQOSPPZ-KOLCDFICSA-N 1 1 312.370 -1.064 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCn1cncn1 ZINC001087385892 775267122 /nfs/dbraw/zinc/26/71/22/775267122.db2.gz DNXKUKYWXADZFL-LOWDOPEQSA-N 1 1 318.381 -1.068 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112041263 775268357 /nfs/dbraw/zinc/26/83/57/775268357.db2.gz LQYDKQRGFLRCJN-NBEYISGCSA-N 1 1 324.303 -1.025 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001267704918 775268934 /nfs/dbraw/zinc/26/89/34/775268934.db2.gz IHYZVFJURXNOHF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001267704918 775268942 /nfs/dbraw/zinc/26/89/42/775268942.db2.gz IHYZVFJURXNOHF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CCNC1=O ZINC001267712310 775270064 /nfs/dbraw/zinc/27/00/64/775270064.db2.gz OHOORBHZBLGZBG-OHTBPHCPSA-N 1 1 311.382 -1.195 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC001267729978 775273843 /nfs/dbraw/zinc/27/38/43/775273843.db2.gz GSIIMIRHCFWPBX-WDEREUQCSA-N 1 1 311.338 -1.167 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001267729767 775274178 /nfs/dbraw/zinc/27/41/78/775274178.db2.gz FGIUCCBFMMZONG-NWDGAFQWSA-N 1 1 321.381 -1.300 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098607756 775275764 /nfs/dbraw/zinc/27/57/64/775275764.db2.gz DPEURHXYKAYGQW-LLVKDONJSA-N 1 1 321.345 -2.180 20 0 DAADMO CN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267757392 775277396 /nfs/dbraw/zinc/27/73/96/775277396.db2.gz VHYDPGXPNWHRIC-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267757400 775277597 /nfs/dbraw/zinc/27/75/97/775277597.db2.gz VHYDPGXPNWHRIC-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO C[N@H+](CC(N)=O)CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001267757799 775277924 /nfs/dbraw/zinc/27/79/24/775277924.db2.gz DZGOZYIJGDISNZ-UHFFFAOYSA-N 1 1 324.381 -1.209 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267763123 775279326 /nfs/dbraw/zinc/27/93/26/775279326.db2.gz VNKCKYKMOWYDOZ-LBPRGKRZSA-N 1 1 316.402 -1.153 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267771459 775279664 /nfs/dbraw/zinc/27/96/64/775279664.db2.gz GUIAJFPZDJQWLP-VHSXEESVSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267771459 775279674 /nfs/dbraw/zinc/27/96/74/775279674.db2.gz GUIAJFPZDJQWLP-VHSXEESVSA-N 1 1 322.365 -1.410 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267774984 775279966 /nfs/dbraw/zinc/27/99/66/775279966.db2.gz MNCJFLMIWHLKJH-LBPRGKRZSA-N 1 1 312.374 -1.395 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267774979 775280158 /nfs/dbraw/zinc/28/01/58/775280158.db2.gz MNCJFLMIWHLKJH-GFCCVEGCSA-N 1 1 312.374 -1.395 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267778784 775280306 /nfs/dbraw/zinc/28/03/06/775280306.db2.gz HGWLUYSGECPINA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267778784 775280316 /nfs/dbraw/zinc/28/03/16/775280316.db2.gz HGWLUYSGECPINA-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267778785 775280811 /nfs/dbraw/zinc/28/08/11/775280811.db2.gz HGWLUYSGECPINA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267778785 775280815 /nfs/dbraw/zinc/28/08/15/775280815.db2.gz HGWLUYSGECPINA-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN(C(=O)CCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001267787994 775281177 /nfs/dbraw/zinc/28/11/77/775281177.db2.gz OHNNFTQPBZLYGI-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO CCN(C(=O)CCN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001267787994 775281183 /nfs/dbraw/zinc/28/11/83/775281183.db2.gz OHNNFTQPBZLYGI-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@H]2CCNC2=O)CCCC1 ZINC001267840620 775284675 /nfs/dbraw/zinc/28/46/75/775284675.db2.gz WQKUDTXLWNLEOA-JTQLQIEISA-N 1 1 321.385 -1.135 20 0 DAADMO CC[C@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ncnn1C ZINC001267829146 775284940 /nfs/dbraw/zinc/28/49/40/775284940.db2.gz NPVCMLLMAUMFGO-SNVBAGLBSA-N 1 1 322.369 -1.052 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125906454 775286318 /nfs/dbraw/zinc/28/63/18/775286318.db2.gz LYCHMZRBFXLGEX-UHFFFAOYSA-N 1 1 311.390 -1.379 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@H]2C(N)=O)[nH]1 ZINC001279791495 775286668 /nfs/dbraw/zinc/28/66/68/775286668.db2.gz HGPOTYCDJUUJFD-MNOVXSKESA-N 1 1 324.385 -1.465 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105142132 775288205 /nfs/dbraw/zinc/28/82/05/775288205.db2.gz GWFYQBQBBSSYBM-UHFFFAOYSA-N 1 1 310.358 -1.467 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105142126 775288293 /nfs/dbraw/zinc/28/82/93/775288293.db2.gz GROLZUDHKLVLRQ-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001105190204 775290425 /nfs/dbraw/zinc/29/04/25/775290425.db2.gz SHHNXNDZSBJNQE-GFCCVEGCSA-N 1 1 322.369 -1.324 20 0 DAADMO CCOCC[NH2+]Cc1cn(C2CN(C(=O)CC(=O)NC)C2)nn1 ZINC001105221353 775292105 /nfs/dbraw/zinc/29/21/05/775292105.db2.gz IOFINOQXOPDXRD-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO O=C(Cc1cncnc1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105221782 775293063 /nfs/dbraw/zinc/29/30/63/775293063.db2.gz VOIOHZOQVSCMDF-UHFFFAOYSA-N 1 1 317.353 -1.224 20 0 DAADMO C[C@H](C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1)n1cncn1 ZINC001105216319 775293140 /nfs/dbraw/zinc/29/31/40/775293140.db2.gz RSJARVYQRXRBHS-SNVBAGLBSA-N 1 1 320.357 -1.404 20 0 DAADMO Cn1nccc1CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105223945 775293566 /nfs/dbraw/zinc/29/35/66/775293566.db2.gz PDSXDJWRJXLOAB-UHFFFAOYSA-N 1 1 319.369 -1.281 20 0 DAADMO Cc1nnc(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)o1 ZINC001105227210 775294476 /nfs/dbraw/zinc/29/44/76/775294476.db2.gz BDPCVLMRMSUDEN-UHFFFAOYSA-N 1 1 321.341 -1.323 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncnn3)C2)nn1 ZINC001105240539 775295774 /nfs/dbraw/zinc/29/57/74/775295774.db2.gz QSXKRJYHPYCJIM-UHFFFAOYSA-N 1 1 321.345 -1.916 20 0 DAADMO CNC(=O)NCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105256729 775297130 /nfs/dbraw/zinc/29/71/30/775297130.db2.gz PRXNNIHIYUGPRP-UHFFFAOYSA-N 1 1 311.346 -2.328 20 0 DAADMO O=C(Cn1nccn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105246822 775297484 /nfs/dbraw/zinc/29/74/84/775297484.db2.gz IELLYYRSFULZRA-UHFFFAOYSA-N 1 1 306.330 -1.965 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105256487 775298363 /nfs/dbraw/zinc/29/83/63/775298363.db2.gz GLDQLSHFHBCQOV-JTQLQIEISA-N 1 1 322.369 -1.731 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105264907 775298447 /nfs/dbraw/zinc/29/84/47/775298447.db2.gz SOPUTTHCMBONPW-GFCCVEGCSA-N 1 1 322.369 -1.731 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 ZINC001105246555 775298520 /nfs/dbraw/zinc/29/85/20/775298520.db2.gz BLSMGWMIIWXLQB-UHFFFAOYSA-N 1 1 320.357 -1.311 20 0 DAADMO CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001267969470 775305066 /nfs/dbraw/zinc/30/50/66/775305066.db2.gz IIIUUCXGUPSKEP-SNVBAGLBSA-N 1 1 315.399 -1.028 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001105314193 775305495 /nfs/dbraw/zinc/30/54/95/775305495.db2.gz OAXYRKMEMCGAEY-NSHDSACASA-N 1 1 323.357 -1.921 20 0 DAADMO COC[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315608 775306965 /nfs/dbraw/zinc/30/69/65/775306965.db2.gz WHPUEISZWFDRKM-SNVBAGLBSA-N 1 1 312.330 -2.756 20 0 DAADMO CC(C)COCC[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315662 775307395 /nfs/dbraw/zinc/30/73/95/775307395.db2.gz ZNLHHWXFKWTXMJ-UHFFFAOYSA-N 1 1 324.385 -1.091 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125946978 775309919 /nfs/dbraw/zinc/30/99/19/775309919.db2.gz XYBVPTQYTVTLTK-NSHDSACASA-N 1 1 311.390 -1.381 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2COCCN2C)n1C ZINC001125957074 775312766 /nfs/dbraw/zinc/31/27/66/775312766.db2.gz UGSCVPCDXJXZOG-LLVKDONJSA-N 1 1 310.402 -1.086 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001125960872 775313489 /nfs/dbraw/zinc/31/34/89/775313489.db2.gz QBRVAFHHRJXUSQ-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994295 775314365 /nfs/dbraw/zinc/31/43/65/775314365.db2.gz KPFKYTREORREJW-ODXREFDESA-N 1 1 322.325 -1.426 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994295 775314371 /nfs/dbraw/zinc/31/43/71/775314371.db2.gz KPFKYTREORREJW-ODXREFDESA-N 1 1 322.325 -1.426 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268008589 775314630 /nfs/dbraw/zinc/31/46/30/775314630.db2.gz OQEDTPNXBAARDL-SECBINFHSA-N 1 1 318.403 -1.348 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268008589 775314640 /nfs/dbraw/zinc/31/46/40/775314640.db2.gz OQEDTPNXBAARDL-SECBINFHSA-N 1 1 318.403 -1.348 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994296 775315084 /nfs/dbraw/zinc/31/50/84/775315084.db2.gz KPFKYTREORREJW-QHOPCYEYSA-N 1 1 322.325 -1.426 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994296 775315099 /nfs/dbraw/zinc/31/50/99/775315099.db2.gz KPFKYTREORREJW-QHOPCYEYSA-N 1 1 322.325 -1.426 20 0 DAADMO CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126002096 775319288 /nfs/dbraw/zinc/31/92/88/775319288.db2.gz DMMPFABIIMMLPS-UHFFFAOYSA-N 1 1 310.358 -1.460 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CN2CN=NC2=O)nnc1C1CC1 ZINC001126021063 775320168 /nfs/dbraw/zinc/32/01/68/775320168.db2.gz GGCHRQMFQYVYNN-UHFFFAOYSA-N 1 1 320.357 -1.104 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126022086 775320952 /nfs/dbraw/zinc/32/09/52/775320952.db2.gz XLGXEWDMAZSHNH-UHFFFAOYSA-N 1 1 309.334 -1.543 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126021420 775321049 /nfs/dbraw/zinc/32/10/49/775321049.db2.gz KMRVLROPSRQYJQ-UHFFFAOYSA-N 1 1 308.346 -1.109 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CN=NC1=O)c1nnnn1C1CC1 ZINC001126026782 775322155 /nfs/dbraw/zinc/32/21/55/775322155.db2.gz HMDHJCTYSIPTPH-MRVPVSSYSA-N 1 1 321.345 -1.228 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126027746 775322752 /nfs/dbraw/zinc/32/27/52/775322752.db2.gz VLADMZOFWQWLCO-UHFFFAOYSA-N 1 1 309.334 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994816 775323389 /nfs/dbraw/zinc/32/33/89/775323389.db2.gz TUYRICXYLUZOTF-JAKMQLQISA-N 1 1 308.298 -1.687 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994816 775323401 /nfs/dbraw/zinc/32/34/01/775323401.db2.gz TUYRICXYLUZOTF-JAKMQLQISA-N 1 1 308.298 -1.687 20 0 DAADMO Cn1ncc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)c1N ZINC001126093947 775327674 /nfs/dbraw/zinc/32/76/74/775327674.db2.gz WWTXOSNWRUQAGR-UHFFFAOYSA-N 1 1 320.357 -1.356 20 0 DAADMO CNC(=O)CC(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001126161963 775329709 /nfs/dbraw/zinc/32/97/09/775329709.db2.gz VXPFLQMIERLWOW-UHFFFAOYSA-N 1 1 304.301 -1.115 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@H]1OC ZINC001213874296 775332471 /nfs/dbraw/zinc/33/24/71/775332471.db2.gz NSCNPDQNSQIUPK-GMTAPVOTSA-N 1 1 323.415 -1.614 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@H]1OC ZINC001213874296 775332483 /nfs/dbraw/zinc/33/24/83/775332483.db2.gz NSCNPDQNSQIUPK-GMTAPVOTSA-N 1 1 323.415 -1.614 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)CC(=O)N(C)C)C2)nn1 ZINC001105340799 775332952 /nfs/dbraw/zinc/33/29/52/775332952.db2.gz QAXMZKFSDHPMPJ-UHFFFAOYSA-N 1 1 324.385 -1.124 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001126199020 775333976 /nfs/dbraw/zinc/33/39/76/775333976.db2.gz KIPAVAZAIPRJHR-QMMMGPOBSA-N 1 1 311.346 -1.929 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCCC2 ZINC001126199063 775334155 /nfs/dbraw/zinc/33/41/55/775334155.db2.gz MFWBNDWQDQKWPS-VIFPVBQESA-N 1 1 309.374 -1.123 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(N)=O)c1nnnn1C1CC1 ZINC001126204856 775334583 /nfs/dbraw/zinc/33/45/83/775334583.db2.gz ZKXHKHYZYGLGCN-SFYZADRCSA-N 1 1 310.362 -1.168 20 0 DAADMO Cn1ncc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105344047 775335413 /nfs/dbraw/zinc/33/54/13/775335413.db2.gz JMNBXLSHKUSDKY-UHFFFAOYSA-N 1 1 306.330 -1.814 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105344190 775336615 /nfs/dbraw/zinc/33/66/15/775336615.db2.gz RERLWJMXPWEKOG-UHFFFAOYSA-N 1 1 324.385 -1.342 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CCn1ccnn1 ZINC001126281727 775340977 /nfs/dbraw/zinc/34/09/77/775340977.db2.gz QWEUZXVVZIWDHO-UHFFFAOYSA-N 1 1 307.362 -1.029 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1cc(=O)n(C)o1 ZINC001126297022 775343085 /nfs/dbraw/zinc/34/30/85/775343085.db2.gz AAVXUUULGXUSMM-UHFFFAOYSA-N 1 1 309.330 -1.106 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(n2cc(CNCC(N)=O)nn2)C1 ZINC001105358205 775347592 /nfs/dbraw/zinc/34/75/92/775347592.db2.gz TVHFDYGJCBWTNK-UHFFFAOYSA-N 1 1 323.401 -1.422 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1OC ZINC001213917685 775351655 /nfs/dbraw/zinc/35/16/55/775351655.db2.gz FNFKFGDCMGUOAP-HBNTYKKESA-N 1 1 316.402 -1.110 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001268223385 775351972 /nfs/dbraw/zinc/35/19/72/775351972.db2.gz UULHDPVZBCAMLV-SECBINFHSA-N 1 1 323.357 -1.300 20 0 DAADMO CC(C)[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001268223385 775351982 /nfs/dbraw/zinc/35/19/82/775351982.db2.gz UULHDPVZBCAMLV-SECBINFHSA-N 1 1 323.357 -1.300 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CCn1cncn1 ZINC001268230010 775353278 /nfs/dbraw/zinc/35/32/78/775353278.db2.gz FKRPUNSWUFQBSG-LLVKDONJSA-N 1 1 322.369 -1.136 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CCn1cncn1 ZINC001268230010 775353289 /nfs/dbraw/zinc/35/32/89/775353289.db2.gz FKRPUNSWUFQBSG-LLVKDONJSA-N 1 1 322.369 -1.136 20 0 DAADMO CN(CC[N@H+](C)CC(=O)N1CCOCC1)C(=O)CC(N)=O ZINC001268233760 775353779 /nfs/dbraw/zinc/35/37/79/775353779.db2.gz QRIFOBINSZLCMD-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)N1CCOCC1)C(=O)CC(N)=O ZINC001268233760 775353794 /nfs/dbraw/zinc/35/37/94/775353794.db2.gz QRIFOBINSZLCMD-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268256232 775354286 /nfs/dbraw/zinc/35/42/86/775354286.db2.gz LMJSBQGFLCTJOP-UWVGGRQHSA-N 1 1 300.359 -1.254 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@@]1(C)CCNC1=O ZINC001268251371 775354601 /nfs/dbraw/zinc/35/46/01/775354601.db2.gz MQNDKXLJPZWMBH-AWEZNQCLSA-N 1 1 301.387 -1.088 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@H]1CCC(=O)NC1 ZINC001268242144 775354687 /nfs/dbraw/zinc/35/46/87/775354687.db2.gz ICZZFYSQASLLPS-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268256651 775355553 /nfs/dbraw/zinc/35/55/53/775355553.db2.gz IOMDCJPBMWVLII-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)Cc1ncc[nH]1 ZINC001268252120 775356004 /nfs/dbraw/zinc/35/60/04/775356004.db2.gz PBYXQCALNGWBKP-UHFFFAOYSA-N 1 1 322.369 -1.106 20 0 DAADMO NC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nnc2n1CCCC2 ZINC001268300065 775358286 /nfs/dbraw/zinc/35/82/86/775358286.db2.gz SPFGLWKURLHGHO-SECBINFHSA-N 1 1 310.358 -1.944 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ccon1)c1cccn2nnnc12 ZINC001268306232 775362054 /nfs/dbraw/zinc/36/20/54/775362054.db2.gz MZXIUQHYTWLCDU-SNVBAGLBSA-N 1 1 317.309 -1.007 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ccon1)c1cccn2nnnc12 ZINC001268306231 775362368 /nfs/dbraw/zinc/36/23/68/775362368.db2.gz MZXIUQHYTWLCDU-JTQLQIEISA-N 1 1 317.309 -1.007 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001268307671 775363948 /nfs/dbraw/zinc/36/39/48/775363948.db2.gz HQQQPFNVDBIPQV-IJLUTSLNSA-N 1 1 319.369 -1.128 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC(F)F)no1 ZINC001268315620 775366258 /nfs/dbraw/zinc/36/62/58/775366258.db2.gz PFSHXBKWHGVBBM-SECBINFHSA-N 1 1 320.296 -1.069 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C2=O)[nH]1 ZINC001268319729 775368527 /nfs/dbraw/zinc/36/85/27/775368527.db2.gz LJMRTRZTGAJJME-ZJUUUORDSA-N 1 1 310.358 -1.842 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCN(C)C2=O)[nH]1 ZINC001268319728 775369127 /nfs/dbraw/zinc/36/91/27/775369127.db2.gz LJMRTRZTGAJJME-VHSXEESVSA-N 1 1 310.358 -1.842 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC2CC2)nn1 ZINC001268324928 775370205 /nfs/dbraw/zinc/37/02/05/775370205.db2.gz AYLMIVSWQPUEAV-NSHDSACASA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)n1 ZINC001268336547 775377474 /nfs/dbraw/zinc/37/74/74/775377474.db2.gz FAAYCELGVMSZFB-WPRPVWTQSA-N 1 1 324.341 -2.565 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)C(=O)NCC(F)F ZINC001268377852 775379754 /nfs/dbraw/zinc/37/97/54/775379754.db2.gz OQWPWXIONBGQMO-SSDOTTSWSA-N 1 1 319.316 -1.424 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)c1cc(=O)n(C)cn1 ZINC001268373497 775380513 /nfs/dbraw/zinc/38/05/13/775380513.db2.gz LVJQXOUNJAWJBD-SECBINFHSA-N 1 1 320.357 -1.398 20 0 DAADMO C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CCc1cn(C)nn1 ZINC001268433440 775381789 /nfs/dbraw/zinc/38/17/89/775381789.db2.gz ZVFJKCSMMKORQN-JTQLQIEISA-N 1 1 321.389 -1.044 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)CNC(=O)NC ZINC001268457363 775385400 /nfs/dbraw/zinc/38/54/00/775385400.db2.gz YDDOZIQYEAYXLX-UHFFFAOYSA-N 1 1 324.389 -1.125 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCN(C)C1=O ZINC001268471139 775385981 /nfs/dbraw/zinc/38/59/81/775385981.db2.gz BMESIIPWMUENMR-JTQLQIEISA-N 1 1 309.374 -1.374 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1OC ZINC001212178015 775387782 /nfs/dbraw/zinc/38/77/82/775387782.db2.gz FMNHDIKFTMAYMQ-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1OC ZINC001212178015 775387790 /nfs/dbraw/zinc/38/77/90/775387790.db2.gz FMNHDIKFTMAYMQ-GHMZBOCLSA-N 1 1 310.358 -1.770 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1OC ZINC001211750512 775387957 /nfs/dbraw/zinc/38/79/57/775387957.db2.gz VEYDEDAHILLXNY-CHWSQXEVSA-N 1 1 317.386 -1.399 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CN1C(=O)CNC1=O ZINC001268498762 775390570 /nfs/dbraw/zinc/39/05/70/775390570.db2.gz YVBBPTZSJFLNMW-UHFFFAOYSA-N 1 1 324.345 -2.300 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1OC ZINC001211755052 775390593 /nfs/dbraw/zinc/39/05/93/775390593.db2.gz VGMNSNWWNZZYMP-JHJVBQTASA-N 1 1 312.370 -1.294 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CNC(C)=O ZINC001211776968 775391726 /nfs/dbraw/zinc/39/17/26/775391726.db2.gz XZAQNSCPWDZDFK-ZIAGYGMSSA-N 1 1 323.397 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776860 775391822 /nfs/dbraw/zinc/39/18/22/775391822.db2.gz TWYDVVAJICWPEY-IJLUTSLNSA-N 1 1 312.370 -1.784 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CNC(C)=O ZINC001211776860 775391824 /nfs/dbraw/zinc/39/18/24/775391824.db2.gz TWYDVVAJICWPEY-IJLUTSLNSA-N 1 1 312.370 -1.784 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001212178173 775392367 /nfs/dbraw/zinc/39/23/67/775392367.db2.gz KYYVNYPBTCBMNB-CHWSQXEVSA-N 1 1 323.397 -1.086 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@H](OC)C1 ZINC001211795481 775392647 /nfs/dbraw/zinc/39/26/47/775392647.db2.gz PXGRMCMQQUZZKP-QJPTWQEYSA-N 1 1 316.354 -1.303 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CNC(C)=O ZINC001211782115 775392811 /nfs/dbraw/zinc/39/28/11/775392811.db2.gz OWJZKOLGEXEOKV-VXGBXAGGSA-N 1 1 310.358 -1.770 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CNC(C)=O ZINC001211782115 775392820 /nfs/dbraw/zinc/39/28/20/775392820.db2.gz OWJZKOLGEXEOKV-VXGBXAGGSA-N 1 1 310.358 -1.770 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211776580 775392966 /nfs/dbraw/zinc/39/29/66/775392966.db2.gz NRADKLGLXKUVDH-IJLUTSLNSA-N 1 1 303.359 -2.055 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212178205 775393120 /nfs/dbraw/zinc/39/31/20/775393120.db2.gz MTCIUXCWLKKLTD-HBNTYKKESA-N 1 1 314.386 -1.585 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001212178205 775393125 /nfs/dbraw/zinc/39/31/25/775393125.db2.gz MTCIUXCWLKKLTD-HBNTYKKESA-N 1 1 314.386 -1.585 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001212178303 775394359 /nfs/dbraw/zinc/39/43/59/775394359.db2.gz QRVHYXPSJHMUPU-CHWSQXEVSA-N 1 1 323.397 -1.086 20 0 DAADMO CN1C[C@H](C(=O)NC/C=C\C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001268545450 775397419 /nfs/dbraw/zinc/39/74/19/775397419.db2.gz NVKJRNMTUJHNGC-UMBAGQNISA-N 1 1 322.369 -1.651 20 0 DAADMO CCn1cc(C[NH2+]C/C=C\CNC(=O)CNC(=O)NC)nn1 ZINC001268549284 775397988 /nfs/dbraw/zinc/39/79/88/775397988.db2.gz QNHIBXUTHLNSGU-PLNGDYQASA-N 1 1 309.374 -1.011 20 0 DAADMO CCn1cc(C[NH2+]C/C=C/CNC(=O)CNC(=O)NC)nn1 ZINC001268549285 775399699 /nfs/dbraw/zinc/39/96/99/775399699.db2.gz QNHIBXUTHLNSGU-SNAWJCMRSA-N 1 1 309.374 -1.011 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211823425 775402460 /nfs/dbraw/zinc/40/24/60/775402460.db2.gz ZNXICDGUNWCUDQ-GMTAPVOTSA-N 1 1 314.346 -2.504 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211823427 775403013 /nfs/dbraw/zinc/40/30/13/775403013.db2.gz ZNXICDGUNWCUDQ-HBNTYKKESA-N 1 1 314.346 -2.504 20 0 DAADMO NC(=O)NCCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105371448 775404791 /nfs/dbraw/zinc/40/47/91/775404791.db2.gz OEBUOLOVUXQBLO-UHFFFAOYSA-N 1 1 311.346 -2.198 20 0 DAADMO O=C(Cc1cnc[nH]1)NC/C=C\C[NH2+]CCN1C(=O)CNC1=O ZINC001268596256 775406037 /nfs/dbraw/zinc/40/60/37/775406037.db2.gz IIKNZSXDEWMEFP-UPHRSURJSA-N 1 1 320.353 -1.234 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211836169 775406516 /nfs/dbraw/zinc/40/65/16/775406516.db2.gz UQEFINLJFSCUSH-VXGBXAGGSA-N 1 1 314.386 -1.103 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211836233 775407113 /nfs/dbraw/zinc/40/71/13/775407113.db2.gz WIDCJYPNYBXFTA-GMTAPVOTSA-N 1 1 300.359 -1.493 20 0 DAADMO COCCC[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149138322 775407126 /nfs/dbraw/zinc/40/71/26/775407126.db2.gz UUIWGOYOODDPKF-NSHDSACASA-N 1 1 302.375 -1.102 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2ncn[nH]2)CCO1 ZINC001268607576 775408472 /nfs/dbraw/zinc/40/84/72/775408472.db2.gz SGZIEIYNPSHOSR-OTDNITJGSA-N 1 1 322.369 -1.072 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CC=CCNC(=O)c2nc[nH]n2)CCO1 ZINC001268607576 775408475 /nfs/dbraw/zinc/40/84/75/775408475.db2.gz SGZIEIYNPSHOSR-OTDNITJGSA-N 1 1 322.369 -1.072 20 0 DAADMO Cc1nonc1CC(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268606231 775408519 /nfs/dbraw/zinc/40/85/19/775408519.db2.gz NNDHYVIWHXZCBD-ARJAWSKDSA-N 1 1 321.341 -1.195 20 0 DAADMO C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)Cc1nnc[nH]1 ZINC001268669335 775414825 /nfs/dbraw/zinc/41/48/25/775414825.db2.gz PPFGOALAMRSPFB-MRVPVSSYSA-N 1 1 304.376 -2.009 20 0 DAADMO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001268701061 775416561 /nfs/dbraw/zinc/41/65/61/775416561.db2.gz WJKLGLARVZDAJW-JGVFFNPUSA-N 1 1 309.326 -1.361 20 0 DAADMO C[C@H](C[N@H+](C)CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001268746854 775419347 /nfs/dbraw/zinc/41/93/47/775419347.db2.gz QDEJSDNCJFAYCR-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001268746854 775419359 /nfs/dbraw/zinc/41/93/59/775419359.db2.gz QDEJSDNCJFAYCR-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](C[N@H+](C)Cc1cncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733376 775419576 /nfs/dbraw/zinc/41/95/76/775419576.db2.gz HJRWUCQGODLRPP-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](C[N@@H+](C)Cc1cncn1C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733376 775419586 /nfs/dbraw/zinc/41/95/86/775419586.db2.gz HJRWUCQGODLRPP-ONGXEEELSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCn2cncn2)C1 ZINC001149181888 775420734 /nfs/dbraw/zinc/42/07/34/775420734.db2.gz KDYKNHKRLRKRQS-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCn2cncn2)C1 ZINC001149181888 775420740 /nfs/dbraw/zinc/42/07/40/775420740.db2.gz KDYKNHKRLRKRQS-NWDGAFQWSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)Cn1ncnn1 ZINC001268730300 775420963 /nfs/dbraw/zinc/42/09/63/775420963.db2.gz IEKAWFIYYISDRT-JTQLQIEISA-N 1 1 323.357 -1.741 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268751556 775422627 /nfs/dbraw/zinc/42/26/27/775422627.db2.gz UCIOSONIIYOYKR-VIFPVBQESA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268751556 775422632 /nfs/dbraw/zinc/42/26/32/775422632.db2.gz UCIOSONIIYOYKR-VIFPVBQESA-N 1 1 312.370 -1.388 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)CC(N)=O ZINC001284281568 775424676 /nfs/dbraw/zinc/42/46/76/775424676.db2.gz HXJDQZZZSMLDOT-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C(=O)NCC(F)F)C1 ZINC001268850029 775425987 /nfs/dbraw/zinc/42/59/87/775425987.db2.gz ODGMDAOIMAUEPV-QMMMGPOBSA-N 1 1 320.340 -1.108 20 0 DAADMO NC(=O)CCCC(=O)NCC1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001268917391 775429633 /nfs/dbraw/zinc/42/96/33/775429633.db2.gz RLSRCSYSNVSKMO-UHFFFAOYSA-N 1 1 324.381 -1.161 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN(C)C1=O ZINC001268959527 775430938 /nfs/dbraw/zinc/43/09/38/775430938.db2.gz CBSKYDVDHZVKGF-ZDEQEGDKSA-N 1 1 311.382 -1.243 20 0 DAADMO CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCNC(=O)C1 ZINC001268960314 775431707 /nfs/dbraw/zinc/43/17/07/775431707.db2.gz MDIUZXDRPSJWMF-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001268983742 775432616 /nfs/dbraw/zinc/43/26/16/775432616.db2.gz HWYVZYSUJYGTTA-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO CNC(=O)/C=C/C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001268986715 775432813 /nfs/dbraw/zinc/43/28/13/775432813.db2.gz BEWVVRPRUGLZHE-RUULKOMLSA-N 1 1 308.382 -1.091 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc[nH]n1 ZINC001268973718 775433097 /nfs/dbraw/zinc/43/30/97/775433097.db2.gz CPLKUPAEMFDTSZ-RYUDHWBXSA-N 1 1 322.369 -1.144 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1nc[nH]n1 ZINC001268973718 775433104 /nfs/dbraw/zinc/43/31/04/775433104.db2.gz CPLKUPAEMFDTSZ-RYUDHWBXSA-N 1 1 322.369 -1.144 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CC3(C2)CCOC[C@H]3C(N)=O)CC1 ZINC001269030209 775436348 /nfs/dbraw/zinc/43/63/48/775436348.db2.gz DTWBLRPBJIKFOH-ZDUSSCGKSA-N 1 1 324.425 -1.026 20 0 DAADMO CN1CC[NH+](CCC(=O)N2CCn3c(nnc3C(N)=O)C2)CC1 ZINC001269030780 775437356 /nfs/dbraw/zinc/43/73/56/775437356.db2.gz XVXHEOOYZCPVQF-UHFFFAOYSA-N 1 1 321.385 -1.643 20 0 DAADMO C[NH+]1CCN(CCC(=O)N2CCn3cc(C(N)=O)nc3C2)CC1 ZINC001269030404 775437460 /nfs/dbraw/zinc/43/74/60/775437460.db2.gz LVRPIOQEVGUSKA-UHFFFAOYSA-N 1 1 320.397 -1.038 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1 ZINC001269073343 775439571 /nfs/dbraw/zinc/43/95/71/775439571.db2.gz PKFLZBDRWCSNIL-NSHDSACASA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)CC(=O)N[C@@H](C[NH2+]Cc1nnnn1C1CC1)C1CC1 ZINC001269056942 775439697 /nfs/dbraw/zinc/43/96/97/775439697.db2.gz QXKAARSISAHGDM-JTQLQIEISA-N 1 1 307.358 -1.132 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001269098937 775442065 /nfs/dbraw/zinc/44/20/65/775442065.db2.gz DIWHHZAJTUUFJW-QWRGUYRKSA-N 1 1 306.370 -1.064 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)CC(N)=O ZINC001284405668 775443113 /nfs/dbraw/zinc/44/31/13/775443113.db2.gz WQZICEUBJRNPOH-VIFPVBQESA-N 1 1 311.346 -2.208 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001269122294 775443968 /nfs/dbraw/zinc/44/39/68/775443968.db2.gz SZZMPYOGEOMEKK-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001269172085 775445799 /nfs/dbraw/zinc/44/57/99/775445799.db2.gz JERCBGKDIGGDRY-LLVKDONJSA-N 1 1 324.381 -1.075 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001269203321 775449503 /nfs/dbraw/zinc/44/95/03/775449503.db2.gz PAJSVGHUFBEBKF-WDEREUQCSA-N 1 1 313.354 -1.761 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(C2COC2)C(=O)CO3)C1 ZINC001269246856 775451502 /nfs/dbraw/zinc/45/15/02/775451502.db2.gz BAEJJRQBOCVUMF-NSHDSACASA-N 1 1 309.366 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C2COC2)C(=O)CO3)C1 ZINC001269246855 775452359 /nfs/dbraw/zinc/45/23/59/775452359.db2.gz BAEJJRQBOCVUMF-LLVKDONJSA-N 1 1 309.366 -1.223 20 0 DAADMO Cn1nnc2c(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+](C)C4)ncn2c1=O ZINC001269290873 775454765 /nfs/dbraw/zinc/45/47/65/775454765.db2.gz IUHRQBZTHSAWJR-BDAKNGLRSA-N 1 1 303.326 -1.401 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001269280250 775454803 /nfs/dbraw/zinc/45/48/03/775454803.db2.gz JADLEZDHSGMKSV-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001269280250 775454811 /nfs/dbraw/zinc/45/48/11/775454811.db2.gz JADLEZDHSGMKSV-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCOCCO)c1ccn2nnnc2c1 ZINC001269272005 775455270 /nfs/dbraw/zinc/45/52/70/775455270.db2.gz GKXXBXVXRARRMJ-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCOCCO)c1ccn2nnnc2c1 ZINC001269272005 775455276 /nfs/dbraw/zinc/45/52/76/775455276.db2.gz GKXXBXVXRARRMJ-GFCCVEGCSA-N 1 1 320.353 -1.063 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001269280249 775455648 /nfs/dbraw/zinc/45/56/48/775455648.db2.gz JADLEZDHSGMKSV-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N(C)[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001269280249 775455653 /nfs/dbraw/zinc/45/56/53/775455653.db2.gz JADLEZDHSGMKSV-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)C1 ZINC001269302087 775456236 /nfs/dbraw/zinc/45/62/36/775456236.db2.gz MMTRFZQOKHWFBH-TYCYOEEFSA-N 1 1 302.327 -3.050 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2C1 ZINC001269302715 775456346 /nfs/dbraw/zinc/45/63/46/775456346.db2.gz YDDFBERQYLHDKK-GATDUIATSA-N 1 1 302.327 -3.051 20 0 DAADMO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269312114 775456442 /nfs/dbraw/zinc/45/64/42/775456442.db2.gz CJIVHBYBJIVQNM-ZKKRXERASA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269312114 775456451 /nfs/dbraw/zinc/45/64/51/775456451.db2.gz CJIVHBYBJIVQNM-ZKKRXERASA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001269311988 775456518 /nfs/dbraw/zinc/45/65/18/775456518.db2.gz BDTYUHFCFDXOFQ-LADJIXMOSA-N 1 1 302.327 -3.065 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H](C1)O2 ZINC001269302294 775456675 /nfs/dbraw/zinc/45/66/75/775456675.db2.gz PTKPYPVDMAHCJV-GATDUIATSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H](C1)O2 ZINC001269302294 775456680 /nfs/dbraw/zinc/45/66/80/775456680.db2.gz PTKPYPVDMAHCJV-GATDUIATSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]2C1 ZINC001269312490 775456846 /nfs/dbraw/zinc/45/68/46/775456846.db2.gz FWONSTZCSHUDPD-HPENLJRUSA-N 1 1 302.327 -3.207 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001269321082 775458139 /nfs/dbraw/zinc/45/81/39/775458139.db2.gz OMFUPMOYQZZQFV-GHMZBOCLSA-N 1 1 310.354 -1.502 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCOCCO)C1CC(=O)NC(=O)C1 ZINC001269321579 775459285 /nfs/dbraw/zinc/45/92/85/775459285.db2.gz YRECNAGDLWNQBF-NSHDSACASA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCOCCO)C1CC(=O)NC(=O)C1 ZINC001269321579 775459292 /nfs/dbraw/zinc/45/92/92/775459292.db2.gz YRECNAGDLWNQBF-NSHDSACASA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cncn2)CC1 ZINC001269321435 775459528 /nfs/dbraw/zinc/45/95/28/775459528.db2.gz WCVZEVBEFIWENN-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]2CC[N@H+]2CCn2cncn2)CC1 ZINC001269321435 775459534 /nfs/dbraw/zinc/45/95/34/775459534.db2.gz WCVZEVBEFIWENN-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO CCOCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001284506797 775465163 /nfs/dbraw/zinc/46/51/63/775465163.db2.gz WJLNKZHRRLAKJA-RYUDHWBXSA-N 1 1 316.402 -1.202 20 0 DAADMO C[NH+](C)CCN1CC2(CN(C(=O)Cc3nn[nH]n3)C2)OCC1=O ZINC001269578115 775471774 /nfs/dbraw/zinc/47/17/74/775471774.db2.gz SMLDYDXEVRYMHF-UHFFFAOYSA-N 1 1 323.357 -2.256 20 0 DAADMO C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)Cc3nn[nH]n3)C2)C1=O ZINC001269576340 775473205 /nfs/dbraw/zinc/47/32/05/775473205.db2.gz JEJSZGNDFGJXJL-AWEZNQCLSA-N 1 1 321.385 -1.245 20 0 DAADMO NC(=O)c1[nH]nc2c1CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618741 775473210 /nfs/dbraw/zinc/47/32/10/775473210.db2.gz UJPHGXBXAHQPNP-UHFFFAOYSA-N 1 1 311.342 -2.320 20 0 DAADMO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nn[nH]n1 ZINC001269577423 775473352 /nfs/dbraw/zinc/47/33/52/775473352.db2.gz ISCIGOJOJIRSEV-GHMZBOCLSA-N 1 1 321.385 -1.104 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCCO ZINC001269664819 775475230 /nfs/dbraw/zinc/47/52/30/775475230.db2.gz WHBMECLNLGXMQB-BETUJISGSA-N 1 1 324.385 -1.253 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCCO ZINC001269664819 775475234 /nfs/dbraw/zinc/47/52/34/775475234.db2.gz WHBMECLNLGXMQB-BETUJISGSA-N 1 1 324.385 -1.253 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001269887319 775479115 /nfs/dbraw/zinc/47/91/15/775479115.db2.gz XYNOEYFAXWSJGE-SNVBAGLBSA-N 1 1 314.342 -2.312 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001269887053 775479173 /nfs/dbraw/zinc/47/91/73/775479173.db2.gz RZRQTNJRUDXRKO-SNVBAGLBSA-N 1 1 312.370 -1.158 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272272915 775480785 /nfs/dbraw/zinc/48/07/85/775480785.db2.gz DZRHFKKREOVPOA-CRWXNKLISA-N 1 1 324.425 -1.185 20 0 DAADMO COCCOCN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273070 775485551 /nfs/dbraw/zinc/48/55/51/775485551.db2.gz FLZFGZCDUPNIAL-STQMWFEESA-N 1 1 313.398 -1.041 20 0 DAADMO COCCOCN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273070 775485555 /nfs/dbraw/zinc/48/55/55/775485555.db2.gz FLZFGZCDUPNIAL-STQMWFEESA-N 1 1 313.398 -1.041 20 0 DAADMO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4nn[nH]n4)CC3)[C@@H]2C1 ZINC001270182758 775487207 /nfs/dbraw/zinc/48/72/07/775487207.db2.gz MMHHFSDHKDCUGK-NXEZZACHSA-N 1 1 319.369 -1.589 20 0 DAADMO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4nn[nH]n4)CC3)[C@@H]2C1 ZINC001270182758 775487209 /nfs/dbraw/zinc/48/72/09/775487209.db2.gz MMHHFSDHKDCUGK-NXEZZACHSA-N 1 1 319.369 -1.589 20 0 DAADMO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)Cc3nn[nH]n3)C[C@H]21 ZINC001270183386 775487313 /nfs/dbraw/zinc/48/73/13/775487313.db2.gz VELQATQFFKGSAC-MNOVXSKESA-N 1 1 309.374 -1.785 20 0 DAADMO CNC(=O)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001270266458 775488419 /nfs/dbraw/zinc/48/84/19/775488419.db2.gz GYBHCOAISNTROA-JTQLQIEISA-N 1 1 324.381 -1.244 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001270511601 775496533 /nfs/dbraw/zinc/49/65/33/775496533.db2.gz CKNZKUUFDBVBDF-CQSZACIVSA-N 1 1 315.414 -1.140 20 0 DAADMO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001270576876 775497928 /nfs/dbraw/zinc/49/79/28/775497928.db2.gz NGICXGZDNLFNJG-MFKMUULPSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001270576877 775497955 /nfs/dbraw/zinc/49/79/55/775497955.db2.gz NGICXGZDNLFNJG-ZWNOBZJWSA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656761 775501058 /nfs/dbraw/zinc/50/10/58/775501058.db2.gz IWPQOEYEEBTEOL-AMIZOPFISA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001270656761 775501063 /nfs/dbraw/zinc/50/10/63/775501063.db2.gz IWPQOEYEEBTEOL-AMIZOPFISA-N 1 1 311.342 -2.007 20 0 DAADMO COCCC[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001270658373 775502163 /nfs/dbraw/zinc/50/21/63/775502163.db2.gz PVXORDSTAHTNDZ-CQSZACIVSA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701398 775505768 /nfs/dbraw/zinc/50/57/68/775505768.db2.gz SLZBQSBAIGOIMN-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701398 775505775 /nfs/dbraw/zinc/50/57/75/775505775.db2.gz SLZBQSBAIGOIMN-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701400 775505870 /nfs/dbraw/zinc/50/58/70/775505870.db2.gz SLZBQSBAIGOIMN-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701400 775505876 /nfs/dbraw/zinc/50/58/76/775505876.db2.gz SLZBQSBAIGOIMN-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701396 775506036 /nfs/dbraw/zinc/50/60/36/775506036.db2.gz SLZBQSBAIGOIMN-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001270701396 775506043 /nfs/dbraw/zinc/50/60/43/775506043.db2.gz SLZBQSBAIGOIMN-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)CC(N)=O)C1 ZINC001285361413 775510861 /nfs/dbraw/zinc/51/08/61/775510861.db2.gz UXYAYVKTPNVZCA-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCN(C)C(=O)CC(N)=O)C1 ZINC001285361413 775510869 /nfs/dbraw/zinc/51/08/69/775510869.db2.gz UXYAYVKTPNVZCA-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC001167990156 775514081 /nfs/dbraw/zinc/51/40/81/775514081.db2.gz MXUWRUQUXRWLHQ-VHSXEESVSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC001167990156 775514086 /nfs/dbraw/zinc/51/40/86/775514086.db2.gz MXUWRUQUXRWLHQ-VHSXEESVSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC001167990157 775514125 /nfs/dbraw/zinc/51/41/25/775514125.db2.gz MXUWRUQUXRWLHQ-ZJUUUORDSA-N 1 1 318.399 -1.060 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC001167990157 775514131 /nfs/dbraw/zinc/51/41/31/775514131.db2.gz MXUWRUQUXRWLHQ-ZJUUUORDSA-N 1 1 318.399 -1.060 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698033 775514664 /nfs/dbraw/zinc/51/46/64/775514664.db2.gz OROZSHYQILELFD-NWDGAFQWSA-N 1 1 322.369 -1.731 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112155843 775516271 /nfs/dbraw/zinc/51/62/71/775516271.db2.gz MVWAIZCHAIUDBI-XLPZGREQSA-N 1 1 324.303 -1.073 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001098700361 775518151 /nfs/dbraw/zinc/51/81/51/775518151.db2.gz KDPHNROOQYZOEC-SNVBAGLBSA-N 1 1 321.345 -2.029 20 0 DAADMO CN1C[C@@]2(F)CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C[C@@]2(F)C1=O ZINC001270907537 775519147 /nfs/dbraw/zinc/51/91/47/775519147.db2.gz FKOOLOXRFHXVAJ-LERXQTSPSA-N 1 1 316.352 -1.037 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270979834 775521659 /nfs/dbraw/zinc/52/16/59/775521659.db2.gz KISLVYVFNNXJPH-LBPRGKRZSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C)C(=O)CN1CCC12CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270979834 775521669 /nfs/dbraw/zinc/52/16/69/775521669.db2.gz KISLVYVFNNXJPH-LBPRGKRZSA-N 1 1 310.398 -1.308 20 0 DAADMO C[NH+]1CCN(CC(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)CC1 ZINC001271000791 775522428 /nfs/dbraw/zinc/52/24/28/775522428.db2.gz QQWIIPJQUHXLMP-ZDUSSCGKSA-N 1 1 320.397 -1.283 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC3(C2)CCOC[C@H]3C(N)=O)CC1 ZINC001271000155 775523105 /nfs/dbraw/zinc/52/31/05/775523105.db2.gz IZDLFLWZQSIBBG-LBPRGKRZSA-N 1 1 310.398 -1.416 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CCCNC1=O ZINC001271005691 775523806 /nfs/dbraw/zinc/52/38/06/775523806.db2.gz SMXAIDMKLLYCGU-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO CCNC(=O)CN1CC2(CN(C(=O)C[NH+]3CCC3)C2)OCC1=O ZINC001271011793 775525013 /nfs/dbraw/zinc/52/50/13/775525013.db2.gz LGRSIYFZUWSGDL-UHFFFAOYSA-N 1 1 324.381 -1.732 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001271098637 775528554 /nfs/dbraw/zinc/52/85/54/775528554.db2.gz MKEHRFLKDKSGFJ-HEHGZKQESA-N 1 1 323.393 -1.099 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001271109939 775529226 /nfs/dbraw/zinc/52/92/26/775529226.db2.gz PIHUQSLGXHLRIG-FZMZJTMJSA-N 1 1 317.386 -1.927 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CCn1cncn1 ZINC001087573506 775531490 /nfs/dbraw/zinc/53/14/90/775531490.db2.gz OOYOQDAFCZJRDN-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1C[C@H](C)O ZINC001087684707 775532767 /nfs/dbraw/zinc/53/27/67/775532767.db2.gz JLFNUNZCEOOQCE-RWMBFGLXSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1C[C@H](C)O ZINC001087578465 775532985 /nfs/dbraw/zinc/53/29/85/775532985.db2.gz XCKQAKKNXZIUTD-GARJFASQSA-N 1 1 324.385 -1.273 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC001087684930 775533555 /nfs/dbraw/zinc/53/35/55/775533555.db2.gz XNDAUFUXROJVKP-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC001087684930 775533570 /nfs/dbraw/zinc/53/35/70/775533570.db2.gz XNDAUFUXROJVKP-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC001087593008 775533682 /nfs/dbraw/zinc/53/36/82/775533682.db2.gz JZCDRPFRDYRPHY-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC001087684706 775533791 /nfs/dbraw/zinc/53/37/91/775533791.db2.gz JLFNUNZCEOOQCE-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC001087644588 775534253 /nfs/dbraw/zinc/53/42/53/775534253.db2.gz FBZONGHPMZOPDW-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC001087644588 775534260 /nfs/dbraw/zinc/53/42/60/775534260.db2.gz FBZONGHPMZOPDW-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1C[C@@H](C)O ZINC001087578466 775534267 /nfs/dbraw/zinc/53/42/67/775534267.db2.gz XCKQAKKNXZIUTD-OUAUKWLOSA-N 1 1 324.385 -1.273 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087708063 775535360 /nfs/dbraw/zinc/53/53/60/775535360.db2.gz PURLSNRDBFPTMM-SDDRHHMPSA-N 1 1 323.397 -1.085 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087708063 775535368 /nfs/dbraw/zinc/53/53/68/775535368.db2.gz PURLSNRDBFPTMM-SDDRHHMPSA-N 1 1 323.397 -1.085 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087708062 775535597 /nfs/dbraw/zinc/53/55/97/775535597.db2.gz PURLSNRDBFPTMM-QJPTWQEYSA-N 1 1 323.397 -1.085 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087708062 775535604 /nfs/dbraw/zinc/53/56/04/775535604.db2.gz PURLSNRDBFPTMM-QJPTWQEYSA-N 1 1 323.397 -1.085 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087710892 775536049 /nfs/dbraw/zinc/53/60/49/775536049.db2.gz YMSAUSAQYZBVDK-GRYCIOLGSA-N 1 1 309.370 -1.302 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@@H+]1CC(N)=O ZINC001087744362 775536182 /nfs/dbraw/zinc/53/61/82/775536182.db2.gz MOXHJKCDZDNFOP-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1CC(N)=O ZINC001087744362 775536195 /nfs/dbraw/zinc/53/61/95/775536195.db2.gz MOXHJKCDZDNFOP-XHNCKOQMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001087708049 775536393 /nfs/dbraw/zinc/53/63/93/775536393.db2.gz PJOFCMVHFRZBPA-QJPTWQEYSA-N 1 1 321.385 -1.071 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[N@H+]1CCO ZINC001087786055 775539913 /nfs/dbraw/zinc/53/99/13/775539913.db2.gz JXBFMTSNBOOJGX-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001087815668 775541325 /nfs/dbraw/zinc/54/13/25/775541325.db2.gz WWXXSIYHGYUVIJ-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[N@H+]1CC(N)=O ZINC001087815668 775541332 /nfs/dbraw/zinc/54/13/32/775541332.db2.gz WWXXSIYHGYUVIJ-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@@H+]1CC(N)=O ZINC001087819822 775542021 /nfs/dbraw/zinc/54/20/21/775542021.db2.gz TYJFPPFGAMTABW-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1CC(N)=O ZINC001087819822 775542029 /nfs/dbraw/zinc/54/20/29/775542029.db2.gz TYJFPPFGAMTABW-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCO ZINC001087822585 775542051 /nfs/dbraw/zinc/54/20/51/775542051.db2.gz YHDZREVZVQJVKI-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158362 775542612 /nfs/dbraw/zinc/54/26/12/775542612.db2.gz ALOPEUYEFFXBHW-AMIZOPFISA-N 1 1 300.359 -2.075 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158362 775542621 /nfs/dbraw/zinc/54/26/21/775542621.db2.gz ALOPEUYEFFXBHW-AMIZOPFISA-N 1 1 300.359 -2.075 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001271158893 775543405 /nfs/dbraw/zinc/54/34/05/775543405.db2.gz FYEKGBIOTGXRHR-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001271158893 775543411 /nfs/dbraw/zinc/54/34/11/775543411.db2.gz FYEKGBIOTGXRHR-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158368 775543599 /nfs/dbraw/zinc/54/35/99/775543599.db2.gz ALOPEUYEFFXBHW-SDBXPKJASA-N 1 1 300.359 -2.075 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001271158368 775543602 /nfs/dbraw/zinc/54/36/02/775543602.db2.gz ALOPEUYEFFXBHW-SDBXPKJASA-N 1 1 300.359 -2.075 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCOC ZINC001087840854 775543900 /nfs/dbraw/zinc/54/39/00/775543900.db2.gz QONMDLXPODFRRR-CMPLNLGQSA-N 1 1 324.385 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2C1 ZINC001087886691 775544631 /nfs/dbraw/zinc/54/46/31/775544631.db2.gz VNCDQPWQUSHYAG-NEPJUHHUSA-N 1 1 306.370 -1.066 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001271160846 775544773 /nfs/dbraw/zinc/54/47/73/775544773.db2.gz YYAMZBHWLWAGOL-PRHODGIISA-N 1 1 309.313 -1.699 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001087915510 775546013 /nfs/dbraw/zinc/54/60/13/775546013.db2.gz PGKAWFXUTNUULL-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@@H]2C1 ZINC001087952852 775546260 /nfs/dbraw/zinc/54/62/60/775546260.db2.gz UPOZUWLDFGVQDB-OUAUKWLOSA-N 1 1 310.354 -1.379 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087968280 775546310 /nfs/dbraw/zinc/54/63/10/775546310.db2.gz IZEOBAJCCVYGBF-WOPDTQHZSA-N 1 1 321.385 -1.283 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]2C1 ZINC001087953253 775546492 /nfs/dbraw/zinc/54/64/92/775546492.db2.gz LXEOTFLFEGYRJE-MNOVXSKESA-N 1 1 306.370 -1.045 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]2C1 ZINC001087948485 775546724 /nfs/dbraw/zinc/54/67/24/775546724.db2.gz FIVSWBWANFINPY-NEPJUHHUSA-N 1 1 306.370 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087968279 775546871 /nfs/dbraw/zinc/54/68/71/775546871.db2.gz IZEOBAJCCVYGBF-GRYCIOLGSA-N 1 1 321.385 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937645 775547205 /nfs/dbraw/zinc/54/72/05/775547205.db2.gz MBGOBORLXPKZGE-OLZOCXBDSA-N 1 1 310.398 -1.416 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1 ZINC001087920056 775547321 /nfs/dbraw/zinc/54/73/21/775547321.db2.gz CRDXMCNOHNGBPS-FRRDWIJNSA-N 1 1 310.398 -1.417 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C1 ZINC001087937451 775547667 /nfs/dbraw/zinc/54/76/67/775547667.db2.gz DWUBUKFIPSYURF-MCIONIFRSA-N 1 1 324.425 -1.027 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710681 775547915 /nfs/dbraw/zinc/54/79/15/775547915.db2.gz JJCKXPXRWTXYAK-GXSJLCMTSA-N 1 1 310.358 -1.339 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@@H]2C1 ZINC001087985036 775548651 /nfs/dbraw/zinc/54/86/51/775548651.db2.gz ASXKULAJPDUWPT-AGIUHOORSA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087968321 775549302 /nfs/dbraw/zinc/54/93/02/775549302.db2.gz KNKOCBUMZMXLEI-UTUOFQBUSA-N 1 1 321.385 -1.412 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271175994 775551012 /nfs/dbraw/zinc/55/10/12/775551012.db2.gz QRAZBTJBJOAMFT-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001271175994 775551022 /nfs/dbraw/zinc/55/10/22/775551022.db2.gz QRAZBTJBJOAMFT-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)NC1=O ZINC001088066408 775552918 /nfs/dbraw/zinc/55/29/18/775552918.db2.gz JHXYRHYYIJHBPM-VWYCJHECSA-N 1 1 309.370 -1.724 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001088065236 775553069 /nfs/dbraw/zinc/55/30/69/775553069.db2.gz NDGREFLGEPIWLU-GRYCIOLGSA-N 1 1 308.382 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2C1 ZINC001088065153 775553239 /nfs/dbraw/zinc/55/32/39/775553239.db2.gz KBHPIAMKDVGIQR-AGIUHOORSA-N 1 1 322.409 -1.009 20 0 DAADMO C[NH+]1CCN(c2nccnc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001168047204 775553515 /nfs/dbraw/zinc/55/35/15/775553515.db2.gz MSKKZLARRUZRRX-LPWJVIDDSA-N 1 1 323.397 -1.257 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001271185111 775555104 /nfs/dbraw/zinc/55/51/04/775555104.db2.gz SJQNHQFDIXEKCK-BXKDBHETSA-N 1 1 319.383 -2.541 20 0 DAADMO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001271185111 775555111 /nfs/dbraw/zinc/55/51/11/775555111.db2.gz SJQNHQFDIXEKCK-BXKDBHETSA-N 1 1 319.383 -2.541 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001271200653 775555343 /nfs/dbraw/zinc/55/53/43/775555343.db2.gz IGTXMDHUXTZMLM-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001271200656 775555562 /nfs/dbraw/zinc/55/55/62/775555562.db2.gz IGTXMDHUXTZMLM-WFASDCNBSA-N 1 1 313.398 -1.210 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1=O ZINC001271208304 775558121 /nfs/dbraw/zinc/55/81/21/775558121.db2.gz IRHLXTSBWVKJNZ-ZDUSSCGKSA-N 1 1 314.342 -2.574 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001271229852 775559088 /nfs/dbraw/zinc/55/90/88/775559088.db2.gz YAPCNEDIWVLMKS-IINYFYTJSA-N 1 1 313.354 -2.025 20 0 DAADMO CN(C)S(=O)(=O)N1CC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001271223046 775559473 /nfs/dbraw/zinc/55/94/73/775559473.db2.gz LPEGDMCZFPTQRR-LLVKDONJSA-N 1 1 316.427 -1.111 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC001088071919 775562218 /nfs/dbraw/zinc/56/22/18/775562218.db2.gz FTAHCCFCAYATSQ-AEJSXWLSSA-N 1 1 307.358 -1.522 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271285423 775564343 /nfs/dbraw/zinc/56/43/43/775564343.db2.gz UMONSKAYUNDUMT-GFCCVEGCSA-N 1 1 305.400 -1.012 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)CCS(N)(=O)=O)C2)C1 ZINC001271285423 775564352 /nfs/dbraw/zinc/56/43/52/775564352.db2.gz UMONSKAYUNDUMT-GFCCVEGCSA-N 1 1 305.400 -1.012 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CO[C@H]2CCOC2)C1 ZINC001271281883 775564530 /nfs/dbraw/zinc/56/45/30/775564530.db2.gz KTKZRHIGUNCVQB-LBPRGKRZSA-N 1 1 302.371 -1.009 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)n1 ZINC001088072303 775565241 /nfs/dbraw/zinc/56/52/41/775565241.db2.gz XFELUVQRMWLHQS-VWYCJHECSA-N 1 1 319.369 -1.508 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)C1=O ZINC001088074632 775567920 /nfs/dbraw/zinc/56/79/20/775567920.db2.gz WYQRYXYCTSURFB-GRYCIOLGSA-N 1 1 308.382 -1.270 20 0 DAADMO COCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271344015 775570858 /nfs/dbraw/zinc/57/08/58/775570858.db2.gz XIVPMMHAEPIWFL-JTQLQIEISA-N 1 1 300.359 -1.743 20 0 DAADMO CN1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)C1=O ZINC001271344036 775571018 /nfs/dbraw/zinc/57/10/18/775571018.db2.gz XYWIXIXCLSJCHX-NWDGAFQWSA-N 1 1 311.382 -1.336 20 0 DAADMO CN1CC[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1=O ZINC001271344038 775571042 /nfs/dbraw/zinc/57/10/42/775571042.db2.gz XYWIXIXCLSJCHX-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088089416 775574324 /nfs/dbraw/zinc/57/43/24/775574324.db2.gz PJFJBTIFDFWCTI-WOPDTQHZSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088089458 775574368 /nfs/dbraw/zinc/57/43/68/775574368.db2.gz QVEHZVXAAKKQGK-MXWKQRLJSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088089457 775574655 /nfs/dbraw/zinc/57/46/55/775574655.db2.gz QVEHZVXAAKKQGK-AXFHLTTASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001088089459 775575349 /nfs/dbraw/zinc/57/53/49/775575349.db2.gz QXJLBDUMKJNUIC-AXFHLTTASA-N 1 1 308.382 -1.094 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)CC1 ZINC001271429230 775577223 /nfs/dbraw/zinc/57/72/23/775577223.db2.gz FZHIBSUJGAIGSP-AXFHLTTASA-N 1 1 308.382 -1.033 20 0 DAADMO CNC(=O)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)CC1 ZINC001271429232 775578303 /nfs/dbraw/zinc/57/83/03/775578303.db2.gz FZHIBSUJGAIGSP-DCAQKATOSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]2C1 ZINC001088122827 775578337 /nfs/dbraw/zinc/57/83/37/775578337.db2.gz SMXYADILYDYJLD-UTLUCORTSA-N 1 1 323.353 -2.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2C1 ZINC001088150230 775579418 /nfs/dbraw/zinc/57/94/18/775579418.db2.gz SNRAGSJKMALRFN-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088195171 775581893 /nfs/dbraw/zinc/58/18/93/775581893.db2.gz PUEBUIBCEYLLGC-NEPJUHHUSA-N 1 1 309.366 -1.092 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088224437 775582699 /nfs/dbraw/zinc/58/26/99/775582699.db2.gz YNBBBQXOAMTIFJ-UTUOFQBUSA-N 1 1 309.366 -1.188 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088205045 775582756 /nfs/dbraw/zinc/58/27/56/775582756.db2.gz ZSMWOYKKUOJSHE-GRYCIOLGSA-N 1 1 317.411 -1.549 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088194686 775582832 /nfs/dbraw/zinc/58/28/32/775582832.db2.gz RKHGUGWBIQEJQZ-MNOVXSKESA-N 1 1 319.365 -1.038 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]2C1 ZINC001088191472 775583065 /nfs/dbraw/zinc/58/30/65/775583065.db2.gz BIDZBPYATIAUPN-NEPJUHHUSA-N 1 1 306.370 -1.196 20 0 DAADMO C[N@H+]1CCN(C(=O)Cc2nc(N)n[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001271499107 775584333 /nfs/dbraw/zinc/58/43/33/775584333.db2.gz KOEKAEWVMMADGJ-AWEZNQCLSA-N 1 1 321.385 -1.258 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nc(N)n[nH]1 ZINC001271499615 775584445 /nfs/dbraw/zinc/58/44/45/775584445.db2.gz MOYFUGKDNDQBSB-UWVGGRQHSA-N 1 1 321.385 -1.307 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nc(N)n[nH]1 ZINC001271499615 775584449 /nfs/dbraw/zinc/58/44/49/775584449.db2.gz MOYFUGKDNDQBSB-UWVGGRQHSA-N 1 1 321.385 -1.307 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=NNC(=O)CC3)[C@@H]2C1 ZINC001271504162 775585235 /nfs/dbraw/zinc/58/52/35/775585235.db2.gz DICMTTVIEXDTIM-CMPLNLGQSA-N 1 1 321.381 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3=NNC(=O)CC3)[C@@H]2C1 ZINC001271504162 775585241 /nfs/dbraw/zinc/58/52/41/775585241.db2.gz DICMTTVIEXDTIM-CMPLNLGQSA-N 1 1 321.381 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536426 775586301 /nfs/dbraw/zinc/58/63/01/775586301.db2.gz OWBMJHFQUPITPK-CQSZACIVSA-N 1 1 310.354 -1.139 20 0 DAADMO C[N@H+]1CCO[C@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536426 775586307 /nfs/dbraw/zinc/58/63/07/775586307.db2.gz OWBMJHFQUPITPK-CQSZACIVSA-N 1 1 310.354 -1.139 20 0 DAADMO C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536425 775586530 /nfs/dbraw/zinc/58/65/30/775586530.db2.gz OWBMJHFQUPITPK-AWEZNQCLSA-N 1 1 310.354 -1.139 20 0 DAADMO C[N@H+]1CCO[C@@]2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001271536425 775586535 /nfs/dbraw/zinc/58/65/35/775586535.db2.gz OWBMJHFQUPITPK-AWEZNQCLSA-N 1 1 310.354 -1.139 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001271544599 775587311 /nfs/dbraw/zinc/58/73/11/775587311.db2.gz YKIYYLFNVFQFOC-GRYCIOLGSA-N 1 1 317.411 -1.048 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001271544599 775587315 /nfs/dbraw/zinc/58/73/15/775587315.db2.gz YKIYYLFNVFQFOC-GRYCIOLGSA-N 1 1 317.411 -1.048 20 0 DAADMO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C[C@@H](C1)O2 ZINC001271544597 775587642 /nfs/dbraw/zinc/58/76/42/775587642.db2.gz YJQHIPROUYQMAK-GRYCIOLGSA-N 1 1 317.411 -1.048 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C[C@@H](C1)O2 ZINC001271544597 775587652 /nfs/dbraw/zinc/58/76/52/775587652.db2.gz YJQHIPROUYQMAK-GRYCIOLGSA-N 1 1 317.411 -1.048 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1COCCN1C)C2 ZINC001271582544 775589512 /nfs/dbraw/zinc/58/95/12/775589512.db2.gz SVELUDIQFJESFL-HZSPNIEDSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1COCCN1C)C2 ZINC001271582544 775589518 /nfs/dbraw/zinc/58/95/18/775589518.db2.gz SVELUDIQFJESFL-HZSPNIEDSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1COCCN1C)C2 ZINC001271582545 775589555 /nfs/dbraw/zinc/58/95/55/775589555.db2.gz SVELUDIQFJESFL-RDBSUJKOSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1COCCN1C)C2 ZINC001271582545 775589562 /nfs/dbraw/zinc/58/95/62/775589562.db2.gz SVELUDIQFJESFL-RDBSUJKOSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1(CO)COC1 ZINC001271661864 775592411 /nfs/dbraw/zinc/59/24/11/775592411.db2.gz YZGOEMQNYGBBNA-RYUDHWBXSA-N 1 1 311.382 -1.241 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1(CO)COC1 ZINC001271661864 775592417 /nfs/dbraw/zinc/59/24/17/775592417.db2.gz YZGOEMQNYGBBNA-RYUDHWBXSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001271749212 775594838 /nfs/dbraw/zinc/59/48/38/775594838.db2.gz AGWRBIAFQAURJK-ZSBIGDGJSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@@H]2C1 ZINC001271873433 775600853 /nfs/dbraw/zinc/60/08/53/775600853.db2.gz HDEFSBASSXIOFT-TXEJJXNPSA-N 1 1 308.382 -1.222 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001271874088 775601703 /nfs/dbraw/zinc/60/17/03/775601703.db2.gz SQGUHHGGKTWGCJ-TXEJJXNPSA-N 1 1 312.370 -1.985 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001271969114 775608832 /nfs/dbraw/zinc/60/88/32/775608832.db2.gz CGIVMONTBDKITL-LLVKDONJSA-N 1 1 312.370 -1.340 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001271969114 775608835 /nfs/dbraw/zinc/60/88/35/775608835.db2.gz CGIVMONTBDKITL-LLVKDONJSA-N 1 1 312.370 -1.340 20 0 DAADMO CCNC(=O)CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001271998193 775609528 /nfs/dbraw/zinc/60/95/28/775609528.db2.gz MMNAKYNRDYYBDW-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CCNC(=O)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001271998193 775609532 /nfs/dbraw/zinc/60/95/32/775609532.db2.gz MMNAKYNRDYYBDW-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088461160 775611521 /nfs/dbraw/zinc/61/15/21/775611521.db2.gz UPGLLZXFIAMQNR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088461160 775611528 /nfs/dbraw/zinc/61/15/28/775611528.db2.gz UPGLLZXFIAMQNR-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001101457662 775612255 /nfs/dbraw/zinc/61/22/55/775612255.db2.gz NLUHTIZBKJLXQZ-RBZYPMLTSA-N 1 1 311.386 -1.301 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001088525134 775615277 /nfs/dbraw/zinc/61/52/77/775615277.db2.gz HSKFNBCDPYUZCB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CC[N@H+]1CC(=O)N(C)C ZINC001088525134 775615287 /nfs/dbraw/zinc/61/52/87/775615287.db2.gz HSKFNBCDPYUZCB-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088548255 775618041 /nfs/dbraw/zinc/61/80/41/775618041.db2.gz KRCSAOFFRCRKDF-OUAUKWLOSA-N 1 1 308.342 -1.035 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)C1 ZINC001272059955 775622983 /nfs/dbraw/zinc/62/29/83/775622983.db2.gz QJMWLXMNOIJNNM-RYUDHWBXSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2Cc3ccnn3CC[C@H]2C(N)=O)C1 ZINC001272059955 775622984 /nfs/dbraw/zinc/62/29/84/775622984.db2.gz QJMWLXMNOIJNNM-RYUDHWBXSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(C[C@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059571 775623016 /nfs/dbraw/zinc/62/30/16/775623016.db2.gz MVXRLISXEGMVJD-STQMWFEESA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(C[C@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059571 775623017 /nfs/dbraw/zinc/62/30/17/775623017.db2.gz MVXRLISXEGMVJD-STQMWFEESA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[C@@H]4C(N)=O)CC3)[C@H]2C1 ZINC001272065962 775624019 /nfs/dbraw/zinc/62/40/19/775624019.db2.gz WKBPFEWHASEJCD-BJDJZHNGSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@@H](CNC(=O)CC(N)=O)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001280444140 775626033 /nfs/dbraw/zinc/62/60/33/775626033.db2.gz FMJAMJGNRIUSOZ-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@H](OC)C1 ZINC001211945232 775627335 /nfs/dbraw/zinc/62/73/35/775627335.db2.gz YQWKAWOXCDGCSD-GMTAPVOTSA-N 1 1 319.358 -1.835 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211959324 775627989 /nfs/dbraw/zinc/62/79/89/775627989.db2.gz GMPCAYWWCRLBGU-QJPTWQEYSA-N 1 1 314.386 -1.138 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211959324 775627994 /nfs/dbraw/zinc/62/79/94/775627994.db2.gz GMPCAYWWCRLBGU-QJPTWQEYSA-N 1 1 314.386 -1.138 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccnn1C ZINC001211982348 775629084 /nfs/dbraw/zinc/62/90/84/775629084.db2.gz SZUDZSGXBLXHMC-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccnn1C ZINC001211982348 775629085 /nfs/dbraw/zinc/62/90/85/775629085.db2.gz SZUDZSGXBLXHMC-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C)[C@H](OC)C1 ZINC001211982034 775629213 /nfs/dbraw/zinc/62/92/13/775629213.db2.gz LDZXBUJLWMEHGF-DMDPSCGWSA-N 1 1 312.370 -1.144 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)c1nnn(C)n1 ZINC001272087098 775629466 /nfs/dbraw/zinc/62/94/66/775629466.db2.gz LVGQMEKRBRXFRQ-UHFFFAOYSA-N 1 1 324.345 -2.234 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001272087000 775629742 /nfs/dbraw/zinc/62/97/42/775629742.db2.gz JUHLUGCKVBSKFT-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212026163 775630791 /nfs/dbraw/zinc/63/07/91/775630791.db2.gz DDDXZOUBYFOMRK-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001212017406 775630921 /nfs/dbraw/zinc/63/09/21/775630921.db2.gz ILZCDOSOJQHTGH-IJLUTSLNSA-N 1 1 315.370 -1.911 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCCO ZINC001088605857 775631408 /nfs/dbraw/zinc/63/14/08/775631408.db2.gz LVIACGACQYJYLX-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@H](OC)C1 ZINC001212067570 775634120 /nfs/dbraw/zinc/63/41/20/775634120.db2.gz ZGXGBGIUACAKLI-JHJVBQTASA-N 1 1 312.370 -1.225 20 0 DAADMO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC(N)=O ZINC001212069054 775634492 /nfs/dbraw/zinc/63/44/92/775634492.db2.gz MKXGHBICZNBFKN-VXGBXAGGSA-N 1 1 309.370 -1.081 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CC(N)=O ZINC001212069054 775634496 /nfs/dbraw/zinc/63/44/96/775634496.db2.gz MKXGHBICZNBFKN-VXGBXAGGSA-N 1 1 309.370 -1.081 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N(CCO)CC[NH2+]Cc1cnns1 ZINC001272103417 775634906 /nfs/dbraw/zinc/63/49/06/775634906.db2.gz DBVTVIHSKFDUMT-SECBINFHSA-N 1 1 315.399 -1.027 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)c2cc[n+]([O-])cc2)n1 ZINC001272103232 775636079 /nfs/dbraw/zinc/63/60/79/775636079.db2.gz APKOWKCRBKHXNW-UHFFFAOYSA-N 1 1 320.353 -1.327 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001272097517 775636529 /nfs/dbraw/zinc/63/65/29/775636529.db2.gz CBGBBSITSZFVGC-VIFPVBQESA-N 1 1 315.374 -1.515 20 0 DAADMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001272097517 775636536 /nfs/dbraw/zinc/63/65/36/775636536.db2.gz CBGBBSITSZFVGC-VIFPVBQESA-N 1 1 315.374 -1.515 20 0 DAADMO CN(CC[N@@H+](C)CCOCCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001272118212 775637938 /nfs/dbraw/zinc/63/79/38/775637938.db2.gz WTLJPPVHJGAASZ-JTQLQIEISA-N 1 1 316.358 -2.016 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2COCCO2)n1 ZINC001272116266 775637968 /nfs/dbraw/zinc/63/79/68/775637968.db2.gz DARIYFCKLBJWJP-ZDUSSCGKSA-N 1 1 312.370 -1.254 20 0 DAADMO Cc1cnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2)nc1 ZINC001272129261 775639606 /nfs/dbraw/zinc/63/96/06/775639606.db2.gz BRNUOCRFPSVIDZ-GFCCVEGCSA-N 1 1 321.381 -1.026 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC(=O)N1)CC2 ZINC001272157411 775641606 /nfs/dbraw/zinc/64/16/06/775641606.db2.gz PZIQNPWKBFYTHE-NSHDSACASA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1cc(C(=O)N(CCO)CC[NH2+]Cc2cnns2)nn1 ZINC001272155094 775641905 /nfs/dbraw/zinc/64/19/05/775641905.db2.gz PKFIEUSTZVMSIZ-UHFFFAOYSA-N 1 1 311.371 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001272164946 775643252 /nfs/dbraw/zinc/64/32/52/775643252.db2.gz IUHQBERJFPELAA-SECBINFHSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001272164946 775643257 /nfs/dbraw/zinc/64/32/57/775643257.db2.gz IUHQBERJFPELAA-SECBINFHSA-N 1 1 313.358 -1.856 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001272174513 775643782 /nfs/dbraw/zinc/64/37/82/775643782.db2.gz OSQGVPBYEJYLLR-LBPRGKRZSA-N 1 1 323.397 -1.191 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001272174511 775644507 /nfs/dbraw/zinc/64/45/07/775644507.db2.gz OSQGVPBYEJYLLR-GFCCVEGCSA-N 1 1 323.397 -1.191 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](OC)C1 ZINC001212117164 775652857 /nfs/dbraw/zinc/65/28/57/775652857.db2.gz OPTNATDGKGCGJO-NQBHXWOUSA-N 1 1 312.370 -1.144 20 0 DAADMO C[C@H]1CO[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)C1 ZINC001272213329 775653825 /nfs/dbraw/zinc/65/38/25/775653825.db2.gz JKAVLKOITUFVLD-MNOVXSKESA-N 1 1 312.374 -1.454 20 0 DAADMO CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)c1[nH]nnc1C ZINC001272225560 775654251 /nfs/dbraw/zinc/65/42/51/775654251.db2.gz ORSQMSKDDFTXAL-UHFFFAOYSA-N 1 1 312.374 -1.384 20 0 DAADMO Cc1nc([C@H](C)NCCN(CCO)C(=O)[C@@H]2CCNC2=O)n[nH]1 ZINC001272224276 775654666 /nfs/dbraw/zinc/65/46/66/775654666.db2.gz BZWIHYIFADQLJF-GXSJLCMTSA-N 1 1 324.385 -1.279 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC2=O)[nH]1 ZINC001272224276 775654674 /nfs/dbraw/zinc/65/46/74/775654674.db2.gz BZWIHYIFADQLJF-GXSJLCMTSA-N 1 1 324.385 -1.279 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001142591077 775658851 /nfs/dbraw/zinc/65/88/51/775658851.db2.gz ZKEAUOBXGMMVJY-QIWZIZFYSA-N 1 1 320.386 -1.713 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001213219386 775661089 /nfs/dbraw/zinc/66/10/89/775661089.db2.gz PTKORIDALXNPPS-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001272236115 775661145 /nfs/dbraw/zinc/66/11/45/775661145.db2.gz UPRJQWHUTRXKFM-GFCCVEGCSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1CCn1cncn1 ZINC001088829504 775663583 /nfs/dbraw/zinc/66/35/83/775663583.db2.gz URWCTCJRGANKSE-OUAUKWLOSA-N 1 1 307.358 -1.462 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)n[nH]1 ZINC001126912872 775663671 /nfs/dbraw/zinc/66/36/71/775663671.db2.gz ZAWZXADJDKAZNX-NSHDSACASA-N 1 1 324.385 -1.343 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098661040 775664260 /nfs/dbraw/zinc/66/42/60/775664260.db2.gz BAGDPCKHYOVNEF-LBPRGKRZSA-N 1 1 324.385 -1.340 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101110777 775665030 /nfs/dbraw/zinc/66/50/30/775665030.db2.gz FSLMLYNYKXFRBT-XUJVJEKNSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088831620 775665229 /nfs/dbraw/zinc/66/52/29/775665229.db2.gz WGPCUDMGGZXROM-SCZZXKLOSA-N 1 1 318.337 -1.413 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088831620 775665234 /nfs/dbraw/zinc/66/52/34/775665234.db2.gz WGPCUDMGGZXROM-SCZZXKLOSA-N 1 1 318.337 -1.413 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126921060 775665312 /nfs/dbraw/zinc/66/53/12/775665312.db2.gz GSZKULCCHNIANC-NSHDSACASA-N 1 1 315.374 -1.615 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088831367 775665317 /nfs/dbraw/zinc/66/53/17/775665317.db2.gz HRQIFCMHGMBEJU-KOLCDFICSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088831367 775665320 /nfs/dbraw/zinc/66/53/20/775665320.db2.gz HRQIFCMHGMBEJU-KOLCDFICSA-N 1 1 317.411 -1.125 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)n[nH]1 ZINC001126925949 775665591 /nfs/dbraw/zinc/66/55/91/775665591.db2.gz AQHJFFZHNQWYAV-UHFFFAOYSA-N 1 1 308.342 -1.490 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098666953 775666983 /nfs/dbraw/zinc/66/69/83/775666983.db2.gz MMVCTTLOVSIWIA-LLVKDONJSA-N 1 1 320.357 -1.424 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001212141123 775671509 /nfs/dbraw/zinc/67/15/09/775671509.db2.gz FCPXHLIKQSZKRZ-GHMZBOCLSA-N 1 1 313.358 -1.164 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035622 775671748 /nfs/dbraw/zinc/67/17/48/775671748.db2.gz NXJZXXUSXJJUEB-UHFFFAOYSA-N 1 1 309.374 -1.174 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)N2CCCC2)nn1 ZINC001127035603 775671844 /nfs/dbraw/zinc/67/18/44/775671844.db2.gz MVZUVTNRFFPQOM-UHFFFAOYSA-N 1 1 309.374 -1.174 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2nncn2C)nn1 ZINC001127056923 775673946 /nfs/dbraw/zinc/67/39/46/775673946.db2.gz NWJVKHQNDONVNE-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127082732 775675439 /nfs/dbraw/zinc/67/54/39/775675439.db2.gz XFIZPABWEMZDTI-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001127081785 775676131 /nfs/dbraw/zinc/67/61/31/775676131.db2.gz BMWOKDVDASUCTF-QMMMGPOBSA-N 1 1 318.403 -1.181 20 0 DAADMO CCc1cc(NC[C@H](O)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001105716553 775678406 /nfs/dbraw/zinc/67/84/06/775678406.db2.gz VWJYAEFEHSVMKB-NSHDSACASA-N 1 1 320.357 -1.077 20 0 DAADMO CCc1nc(NC[C@@H](O)CNC(=O)Cn2cnnn2)cc(C)[nH+]1 ZINC001105716351 775678813 /nfs/dbraw/zinc/67/88/13/775678813.db2.gz PPGIRPOLDZHTCJ-SNVBAGLBSA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1nc(NC[C@@H](O)CNC(=O)Cn2cnnn2)c(C)c(C)[nH+]1 ZINC001105714502 775678887 /nfs/dbraw/zinc/67/88/87/775678887.db2.gz AZIBHKMZFXZNBU-NSHDSACASA-N 1 1 320.357 -1.022 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)Cn2cnnn2)nc(C)[nH+]1 ZINC001105715210 775679011 /nfs/dbraw/zinc/67/90/11/775679011.db2.gz OIVSQMDKFLEJPG-JTQLQIEISA-N 1 1 306.330 -1.331 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105756216 775686610 /nfs/dbraw/zinc/68/66/10/775686610.db2.gz ROCSDAQCIFSLRI-NXEZZACHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc2nnnn2n1 ZINC001105756218 775686815 /nfs/dbraw/zinc/68/68/15/775686815.db2.gz ROCSDAQCIFSLRI-VHSXEESVSA-N 1 1 320.357 -1.498 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105772860 775689415 /nfs/dbraw/zinc/68/94/15/775689415.db2.gz XREWBRZADAACJU-MWLCHTKSSA-N 1 1 309.374 -1.470 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cnc(F)cn2)C1 ZINC001105769444 775690142 /nfs/dbraw/zinc/69/01/42/775690142.db2.gz LUBCEKWFSVWTCN-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cnc(F)cn2)C1 ZINC001105769444 775690148 /nfs/dbraw/zinc/69/01/48/775690148.db2.gz LUBCEKWFSVWTCN-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNc1nccn2nnnc12 ZINC001105869287 775705039 /nfs/dbraw/zinc/70/50/39/775705039.db2.gz OVOQMXIYHYKPSE-SNVBAGLBSA-N 1 1 322.373 -1.252 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNc2nccn3nnnc23)C1 ZINC001105854269 775705092 /nfs/dbraw/zinc/70/50/92/775705092.db2.gz XEXSYNPLKDCVDB-ZJUUUORDSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105854370 775705256 /nfs/dbraw/zinc/70/52/56/775705256.db2.gz YGHRFNYXNGITIA-VHSXEESVSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNc2ccc3nnnn3n2)C1 ZINC001105854369 775706550 /nfs/dbraw/zinc/70/65/50/775706550.db2.gz YGHRFNYXNGITIA-UWVGGRQHSA-N 1 1 320.357 -1.640 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@H](C)NC(N)=O ZINC001127161656 775710318 /nfs/dbraw/zinc/71/03/18/775710318.db2.gz GWKHOXVBWZUBAW-VIFPVBQESA-N 1 1 312.378 -1.093 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127161654 775711115 /nfs/dbraw/zinc/71/11/15/775711115.db2.gz GWKHOXVBWZUBAW-SECBINFHSA-N 1 1 312.378 -1.093 20 0 DAADMO C[C@H](CC(=O)NCC[NH2+]Cc1nnnn1C1CC1)NC(N)=O ZINC001127163105 775712947 /nfs/dbraw/zinc/71/29/47/775712947.db2.gz QFNHJFLEOXWZCC-MRVPVSSYSA-N 1 1 310.362 -1.339 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1ccc2nnnn2n1 ZINC001105944647 775716891 /nfs/dbraw/zinc/71/68/91/775716891.db2.gz WHHMFSZSBWOXHN-SNVBAGLBSA-N 1 1 322.373 -1.250 20 0 DAADMO CCc1nc(NC[C@H](O)CNC(=O)Cn2ncnn2)cc(C)[nH+]1 ZINC001105974563 775719447 /nfs/dbraw/zinc/71/94/47/775719447.db2.gz CPTVJUNWJGLPIV-JTQLQIEISA-N 1 1 320.357 -1.077 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098976748 775719765 /nfs/dbraw/zinc/71/97/65/775719765.db2.gz UCRFNRYWDHWFDC-ZANVPECISA-N 1 1 307.358 -1.460 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098976748 775719768 /nfs/dbraw/zinc/71/97/68/775719768.db2.gz UCRFNRYWDHWFDC-ZANVPECISA-N 1 1 307.358 -1.460 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001120385858 775720918 /nfs/dbraw/zinc/72/09/18/775720918.db2.gz ABKSPRVCFSQOQW-JTQLQIEISA-N 1 1 314.367 -1.389 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001120384317 775721873 /nfs/dbraw/zinc/72/18/73/775721873.db2.gz ZYIONUGBQLKNOM-UHFFFAOYSA-N 1 1 313.354 -1.715 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001120384317 775721881 /nfs/dbraw/zinc/72/18/81/775721881.db2.gz ZYIONUGBQLKNOM-UHFFFAOYSA-N 1 1 313.354 -1.715 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001098758071 775724108 /nfs/dbraw/zinc/72/41/08/775724108.db2.gz QNZFTZKCDDRHRM-RWSFTLGLSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001098758071 775724114 /nfs/dbraw/zinc/72/41/14/775724114.db2.gz QNZFTZKCDDRHRM-RWSFTLGLSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1CCn1cncn1 ZINC001088864046 775726728 /nfs/dbraw/zinc/72/67/28/775726728.db2.gz NGDMUPHGVOHQBX-WYUUTHIRSA-N 1 1 306.370 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001099032507 775733193 /nfs/dbraw/zinc/73/31/93/775733193.db2.gz SOJVWKIPNSZHKO-DDIVZENXSA-N 1 1 308.382 -1.176 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001099032507 775733196 /nfs/dbraw/zinc/73/31/96/775733196.db2.gz SOJVWKIPNSZHKO-DDIVZENXSA-N 1 1 308.382 -1.176 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCCO ZINC001088896158 775734059 /nfs/dbraw/zinc/73/40/59/775734059.db2.gz RCITXHBNUOXYNJ-PWSUYJOCSA-N 1 1 324.381 -1.341 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088908448 775736144 /nfs/dbraw/zinc/73/61/44/775736144.db2.gz ZBBCLIHYDGXQQL-ZJUUUORDSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088908448 775736150 /nfs/dbraw/zinc/73/61/50/775736150.db2.gz ZBBCLIHYDGXQQL-ZJUUUORDSA-N 1 1 309.374 -1.139 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CCCO ZINC001089046628 775740165 /nfs/dbraw/zinc/74/01/65/775740165.db2.gz RAPXTVZBHAXTAD-VWYCJHECSA-N 1 1 305.400 -1.361 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@H](OC)C1 ZINC001212195484 775740377 /nfs/dbraw/zinc/74/03/77/775740377.db2.gz ABJLOZWJNRIXIW-HOSYDEDBSA-N 1 1 313.358 -1.749 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)C(=O)NCC2CC2)n1 ZINC001272284602 775740618 /nfs/dbraw/zinc/74/06/18/775740618.db2.gz NGTORVKGAXAGOM-UHFFFAOYSA-N 1 1 323.397 -1.143 20 0 DAADMO Cc1nonc1CC(=O)N(CCO)CC[NH2+]Cc1nncn1C ZINC001272284799 775740788 /nfs/dbraw/zinc/74/07/88/775740788.db2.gz RPNIKSYDDQYGBJ-UHFFFAOYSA-N 1 1 323.357 -1.340 20 0 DAADMO Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001272289612 775742348 /nfs/dbraw/zinc/74/23/48/775742348.db2.gz GTCKROISCFYNGZ-UHFFFAOYSA-N 1 1 321.385 -1.000 20 0 DAADMO CCc1cc(NC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106089103 775744427 /nfs/dbraw/zinc/74/44/27/775744427.db2.gz PQFFUZLSMSXTBQ-GHMZBOCLSA-N 1 1 322.369 -1.082 20 0 DAADMO CCc1nc(NC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001106089224 775744511 /nfs/dbraw/zinc/74/45/11/775744511.db2.gz QQGNCPYQNMTSFF-UWVGGRQHSA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001106088421 775744563 /nfs/dbraw/zinc/74/45/63/775744563.db2.gz GKSSFAHEKJMBIE-GHMZBOCLSA-N 1 1 322.369 -1.028 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001272295418 775746204 /nfs/dbraw/zinc/74/62/04/775746204.db2.gz QDHPIEMOJIPSNN-NSHDSACASA-N 1 1 309.370 -1.391 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001272295660 775746470 /nfs/dbraw/zinc/74/64/70/775746470.db2.gz XNFPJQWFUVUQTC-JTQLQIEISA-N 1 1 310.358 -1.698 20 0 DAADMO CC(=O)NCCOCC[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233714217 775755932 /nfs/dbraw/zinc/75/59/32/775755932.db2.gz XJJWSCVCZUPBQU-UHFFFAOYSA-N 1 1 317.390 -1.755 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCNC2=O)nn1 ZINC001272442195 775760080 /nfs/dbraw/zinc/76/00/80/775760080.db2.gz CXCHZMMOIQDNGG-NEPJUHHUSA-N 1 1 324.385 -1.609 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC(F)F)nn1 ZINC001272460586 775762005 /nfs/dbraw/zinc/76/20/05/775762005.db2.gz DKCHHPQYGQCIBZ-QMMMGPOBSA-N 1 1 320.300 -2.237 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954702 775766334 /nfs/dbraw/zinc/76/63/34/775766334.db2.gz XMQJSUVSCUJIEC-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954702 775766339 /nfs/dbraw/zinc/76/63/39/775766339.db2.gz XMQJSUVSCUJIEC-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1)c1nncn1C ZINC001272513841 775768843 /nfs/dbraw/zinc/76/88/43/775768843.db2.gz RKERNQLNEFPHQA-RKDXNWHRSA-N 1 1 310.358 -1.792 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1)c1nncn1C ZINC001272513834 775768892 /nfs/dbraw/zinc/76/88/92/775768892.db2.gz RKERNQLNEFPHQA-DTWKUNHWSA-N 1 1 310.358 -1.792 20 0 DAADMO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001272530760 775770724 /nfs/dbraw/zinc/77/07/24/775770724.db2.gz XNDUYSKZTRKJDP-ZDUSSCGKSA-N 1 1 321.385 -1.073 20 0 DAADMO Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001272560054 775776268 /nfs/dbraw/zinc/77/62/68/775776268.db2.gz NJDGEOQLURAGCO-LLVKDONJSA-N 1 1 307.358 -1.610 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001272575078 775779466 /nfs/dbraw/zinc/77/94/66/775779466.db2.gz MCMVTQUULNWJCK-VIFPVBQESA-N 1 1 311.298 -2.207 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098780372 775780810 /nfs/dbraw/zinc/78/08/10/775780810.db2.gz UNLFMRPZEJINSO-GFCCVEGCSA-N 1 1 320.357 -1.575 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001272576264 775780957 /nfs/dbraw/zinc/78/09/57/775780957.db2.gz XGMLQFKCGMUSGQ-VIFPVBQESA-N 1 1 324.341 -2.469 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001272592379 775785405 /nfs/dbraw/zinc/78/54/05/775785405.db2.gz NURYXKMQBOIHGX-WCBMZHEXSA-N 1 1 310.310 -1.706 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001127356486 775790303 /nfs/dbraw/zinc/79/03/03/775790303.db2.gz DVRICIZDXUUKBA-UHFFFAOYSA-N 1 1 322.373 -1.155 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001127374247 775793326 /nfs/dbraw/zinc/79/33/26/775793326.db2.gz MBPQRKLFGRYFFA-UHFFFAOYSA-N 1 1 322.369 -1.194 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 ZINC001212206119 775794173 /nfs/dbraw/zinc/79/41/73/775794173.db2.gz JAEMMLDORHKBGL-IJLUTSLNSA-N 1 1 304.387 -1.030 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)NCC2COC2)C1 ZINC001272629609 775795555 /nfs/dbraw/zinc/79/55/55/775795555.db2.gz OPWXMHMXXQXUAH-LMOYCYGVSA-N 1 1 323.393 -1.338 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123626960 775799974 /nfs/dbraw/zinc/79/99/74/775799974.db2.gz OEFMAFKUYCLPEX-GHMZBOCLSA-N 1 1 304.416 -1.570 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@H](OC)C1 ZINC001212216387 775800757 /nfs/dbraw/zinc/80/07/57/775800757.db2.gz LBXVOHCHPKRNNC-CKYFFXLPSA-N 1 1 313.358 -1.749 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001127433634 775801784 /nfs/dbraw/zinc/80/17/84/775801784.db2.gz SEKAJQZRALLDGB-UHFFFAOYSA-N 1 1 307.318 -2.299 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1noc2c1COCC2 ZINC001127442554 775803519 /nfs/dbraw/zinc/80/35/19/775803519.db2.gz FXUWONAMFPJVQQ-UHFFFAOYSA-N 1 1 307.314 -1.360 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)Cn2ncnn2)nnc1C1CCC1 ZINC001127437773 775803900 /nfs/dbraw/zinc/80/39/00/775803900.db2.gz HSAFOCVBXWNODC-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001123810248 775803924 /nfs/dbraw/zinc/80/39/24/775803924.db2.gz KTCOUBBINCKHDR-UHFFFAOYSA-N 1 1 300.338 -1.068 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@@H]1COCCO1 ZINC001123868534 775805353 /nfs/dbraw/zinc/80/53/53/775805353.db2.gz AAMOSEKTZWZSSZ-JTQLQIEISA-N 1 1 301.322 -1.131 20 0 DAADMO CC1(C)C[C@@H](NC(=O)C(N)=O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001089478877 775808732 /nfs/dbraw/zinc/80/87/32/775808732.db2.gz BKOMTVZFQVXLKE-VHSXEESVSA-N 1 1 324.381 -1.116 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1nccn1 ZINC001212329787 775817533 /nfs/dbraw/zinc/81/75/33/775817533.db2.gz CHRSFVKLWAZZGY-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2cnns2)n1 ZINC001127652826 775820226 /nfs/dbraw/zinc/82/02/26/775820226.db2.gz DOSQCOJGLMURDQ-UHFFFAOYSA-N 1 1 310.343 -1.866 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)s1 ZINC001127652959 775821142 /nfs/dbraw/zinc/82/11/42/775821142.db2.gz IGUOKXAEHSVZME-UHFFFAOYSA-N 1 1 324.370 -1.557 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(N)=O)C2)n1 ZINC001089852370 775821937 /nfs/dbraw/zinc/82/19/37/775821937.db2.gz DSBAFYGNCMBCCJ-BQUFFADESA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)nn1 ZINC001089852171 775822338 /nfs/dbraw/zinc/82/23/38/775822338.db2.gz CBLIYTLOAGJMLX-SQNXGDPESA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)n1 ZINC001089852371 775822707 /nfs/dbraw/zinc/82/27/07/775822707.db2.gz DSBAFYGNCMBCCJ-RYDUCSDGSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853616 775824239 /nfs/dbraw/zinc/82/42/39/775824239.db2.gz WNDKEPFRVSMNNL-QCNOEVLYSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853616 775824250 /nfs/dbraw/zinc/82/42/50/775824250.db2.gz WNDKEPFRVSMNNL-QCNOEVLYSA-N 1 1 318.381 -1.031 20 0 DAADMO COc1nccc(C[NH2+]CCNC(=O)CS(C)(=O)=O)n1 ZINC001124363129 775824755 /nfs/dbraw/zinc/82/47/55/775824755.db2.gz YVPXRXVJHYQKIK-UHFFFAOYSA-N 1 1 302.356 -1.264 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC[N@H+]1C ZINC001127695720 775825500 /nfs/dbraw/zinc/82/55/00/775825500.db2.gz VBBUJMHFEQGZDB-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001124879395 775831933 /nfs/dbraw/zinc/83/19/33/775831933.db2.gz SQSFVPHQSBTSJJ-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124879783 775832974 /nfs/dbraw/zinc/83/29/74/775832974.db2.gz ZPJOCKVXIRFFEG-CYBMUJFWSA-N 1 1 300.403 -1.061 20 0 DAADMO NC(=O)CC(=O)NCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001125084804 775836913 /nfs/dbraw/zinc/83/69/13/775836913.db2.gz JGIYSKSPPKOCNH-UHFFFAOYSA-N 1 1 309.252 -1.683 20 0 DAADMO Cc1c(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)nnn1C ZINC001125175278 775838761 /nfs/dbraw/zinc/83/87/61/775838761.db2.gz QMXAAGIWQIABBE-UHFFFAOYSA-N 1 1 320.357 -1.235 20 0 DAADMO CO[C@H](C)C[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107117217 775844827 /nfs/dbraw/zinc/84/48/27/775844827.db2.gz PEWADBNLZVIZID-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107119527 775845762 /nfs/dbraw/zinc/84/57/62/775845762.db2.gz DTKPXLDXPLEHII-JTQLQIEISA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)CNC(N)=O)nn2)C1 ZINC001107123966 775846808 /nfs/dbraw/zinc/84/68/08/775846808.db2.gz SBQBUQLURMQFCY-MRVPVSSYSA-N 1 1 311.346 -2.200 20 0 DAADMO CC(=O)N(C)CC(=O)NCc1cn(C2C[NH+](C[C@H](C)O)C2)nn1 ZINC001107132459 775847197 /nfs/dbraw/zinc/84/71/97/775847197.db2.gz VETPSUZZGQPJSE-JTQLQIEISA-N 1 1 324.385 -1.390 20 0 DAADMO CC(=O)N(C)CC(=O)NCc1cn(C2C[NH+](C[C@@H](C)O)C2)nn1 ZINC001107132460 775847364 /nfs/dbraw/zinc/84/73/64/775847364.db2.gz VETPSUZZGQPJSE-SNVBAGLBSA-N 1 1 324.385 -1.390 20 0 DAADMO COC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150516 775848719 /nfs/dbraw/zinc/84/87/19/775848719.db2.gz PBWHNIKPBWERNM-SECBINFHSA-N 1 1 310.358 -1.339 20 0 DAADMO CCC(=O)NCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107146086 775848845 /nfs/dbraw/zinc/84/88/45/775848845.db2.gz VBDJOMLYDMVWEA-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO CC(C)[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107173033 775852669 /nfs/dbraw/zinc/85/26/69/775852669.db2.gz YMEZHBRMXOHTNV-UHFFFAOYSA-N 1 1 305.346 -1.154 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)COC)nn2)C1 ZINC001107176594 775853537 /nfs/dbraw/zinc/85/35/37/775853537.db2.gz CVXYAAYEDUGHMR-UHFFFAOYSA-N 1 1 324.385 -1.124 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 ZINC001107175719 775853788 /nfs/dbraw/zinc/85/37/88/775853788.db2.gz SDWHDABAQSUPKP-JTQLQIEISA-N 1 1 320.357 -1.577 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 ZINC001107191459 775854632 /nfs/dbraw/zinc/85/46/32/775854632.db2.gz WVLHEGIVHFCMHX-UWVGGRQHSA-N 1 1 324.385 -1.357 20 0 DAADMO COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238705877 775854804 /nfs/dbraw/zinc/85/48/04/775854804.db2.gz DQXWYZNRMNPUJL-QWRGUYRKSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107190814 775855028 /nfs/dbraw/zinc/85/50/28/775855028.db2.gz DABLLQILWBNJHD-SNVBAGLBSA-N 1 1 324.385 -1.355 20 0 DAADMO NC(=O)C(=O)NCc1cn(C2C[NH+](CC[C@H]3CCCO3)C2)nn1 ZINC001107202237 775857014 /nfs/dbraw/zinc/85/70/14/775857014.db2.gz XYYFADVASOOVAL-GFCCVEGCSA-N 1 1 322.369 -1.195 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CN3C(=O)CNC3=O)nn2)C1 ZINC001107235037 775858843 /nfs/dbraw/zinc/85/88/43/775858843.db2.gz YGAGEKCTVSUVNQ-UHFFFAOYSA-N 1 1 321.341 -1.677 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001107231294 775859621 /nfs/dbraw/zinc/85/96/21/775859621.db2.gz GMBJSQSKGGJPPK-UHFFFAOYSA-N 1 1 323.401 -1.422 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001107238826 775859687 /nfs/dbraw/zinc/85/96/87/775859687.db2.gz RQNZPRZEFDRSAZ-UHFFFAOYSA-N 1 1 323.401 -1.424 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC001107376832 775861281 /nfs/dbraw/zinc/86/12/81/775861281.db2.gz SDLPEYQKJHXZRO-QMTHXVAHSA-N 1 1 322.369 -1.170 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127766667 775862097 /nfs/dbraw/zinc/86/20/97/775862097.db2.gz XWOQVLJFKCVARO-UHFFFAOYSA-N 1 1 308.350 -1.529 20 0 DAADMO O=C(NCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779181 775862936 /nfs/dbraw/zinc/86/29/36/775862936.db2.gz JTPBELZMHCFKIC-ZJUUUORDSA-N 1 1 310.358 -1.421 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779732 775863497 /nfs/dbraw/zinc/86/34/97/775863497.db2.gz RGAZEEFHYDPYEA-QWRGUYRKSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001127779733 775863582 /nfs/dbraw/zinc/86/35/82/775863582.db2.gz RGAZEEFHYDPYEA-WDEREUQCSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1cnnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779745 775863736 /nfs/dbraw/zinc/86/37/36/775863736.db2.gz RMBUAOKPQVGHQR-NWDGAFQWSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1[nH]c(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc1=O ZINC001127780080 775864516 /nfs/dbraw/zinc/86/45/16/775864516.db2.gz VROLGGVSWSIDJB-QWRGUYRKSA-N 1 1 324.385 -1.823 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780056 775864723 /nfs/dbraw/zinc/86/47/23/775864723.db2.gz VERDFCOPPCSHMB-RYUDHWBXSA-N 1 1 319.427 -1.400 20 0 DAADMO CS(=O)(=O)CCNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780056 775864732 /nfs/dbraw/zinc/86/47/32/775864732.db2.gz VERDFCOPPCSHMB-RYUDHWBXSA-N 1 1 319.427 -1.400 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cnnn3)CCC[C@@H]12 ZINC001107585966 775865895 /nfs/dbraw/zinc/86/58/95/775865895.db2.gz YSOAXGDHMJFQJT-BXUZGUMPSA-N 1 1 321.385 -1.091 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107628502 775866140 /nfs/dbraw/zinc/86/61/40/775866140.db2.gz YTBXJOSUQSMOGG-IAQYHMDHSA-N 1 1 324.381 -1.109 20 0 DAADMO C[C@H](CNc1nccn2nnnc12)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001107666606 775867681 /nfs/dbraw/zinc/86/76/81/775867681.db2.gz DDHMNHGFGFGQHP-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNc1nccn2nnnc12)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001107666606 775867687 /nfs/dbraw/zinc/86/76/87/775867687.db2.gz DDHMNHGFGFGQHP-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574695 775869813 /nfs/dbraw/zinc/86/98/13/775869813.db2.gz KUHRQYVZVOZXJM-JTQLQIEISA-N 1 1 312.370 -1.666 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574695 775869819 /nfs/dbraw/zinc/86/98/19/775869819.db2.gz KUHRQYVZVOZXJM-JTQLQIEISA-N 1 1 312.370 -1.666 20 0 DAADMO C[C@@]1(CNC(=O)CNC(N)=O)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107724270 775870190 /nfs/dbraw/zinc/87/01/90/775870190.db2.gz NOXJNWJXDJSABD-BXUZGUMPSA-N 1 1 314.386 -1.102 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727659 775871296 /nfs/dbraw/zinc/87/12/96/775871296.db2.gz DVDXWVUNKXWXSC-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727659 775871301 /nfs/dbraw/zinc/87/13/01/775871301.db2.gz DVDXWVUNKXWXSC-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO COCCC[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724440 775871508 /nfs/dbraw/zinc/87/15/08/775871508.db2.gz PUUJTJJXPHFRSN-CYBMUJFWSA-N 1 1 302.375 -1.102 20 0 DAADMO C[C@@]1(CNC(=O)Cn2cnnn2)C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001107728340 775871880 /nfs/dbraw/zinc/87/18/80/775871880.db2.gz YWJYOIODSOEVLS-GXTWGEPZSA-N 1 1 324.385 -1.083 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724495 775871923 /nfs/dbraw/zinc/87/19/23/775871923.db2.gz RJBFYLFNJYURMX-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724495 775871934 /nfs/dbraw/zinc/87/19/34/775871934.db2.gz RJBFYLFNJYURMX-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727898 775872121 /nfs/dbraw/zinc/87/21/21/775872121.db2.gz LLWCFSAGZCOUDX-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727898 775872129 /nfs/dbraw/zinc/87/21/29/775872129.db2.gz LLWCFSAGZCOUDX-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@@]1(CNC(=O)Cn2cnnn2)C[N@@H+](C[C@H]2CCOC2)CCO1 ZINC001107728343 775872505 /nfs/dbraw/zinc/87/25/05/775872505.db2.gz YWJYOIODSOEVLS-TZMCWYRMSA-N 1 1 324.385 -1.083 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107773267 775873329 /nfs/dbraw/zinc/87/33/29/775873329.db2.gz KZGWEGBOAFHTPM-MFKMUULPSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107773267 775873343 /nfs/dbraw/zinc/87/33/43/775873343.db2.gz KZGWEGBOAFHTPM-MFKMUULPSA-N 1 1 303.359 -1.070 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2COCCO2)C[N@H+](CCCO)CCO1 ZINC001107757667 775873831 /nfs/dbraw/zinc/87/38/31/775873831.db2.gz SAAZXQDUBJRXOU-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2COCCO2)C[N@@H+](CCCO)CCO1 ZINC001107757667 775873835 /nfs/dbraw/zinc/87/38/35/775873835.db2.gz SAAZXQDUBJRXOU-OCCSQVGLSA-N 1 1 302.371 -1.009 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nncn1C ZINC001127859978 775876952 /nfs/dbraw/zinc/87/69/52/775876952.db2.gz MZTBOTFOUCCAJX-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001127861770 775878438 /nfs/dbraw/zinc/87/84/38/775878438.db2.gz ZEQWAYKHVFEECF-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cncn1 ZINC001089900836 775879835 /nfs/dbraw/zinc/87/98/35/775879835.db2.gz BQVFZAGNKGERPN-RVMXOQNASA-N 1 1 318.381 -1.068 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839784 775879955 /nfs/dbraw/zinc/87/99/55/775879955.db2.gz UVJWFQREJOPIAV-FZMZJTMJSA-N 1 1 314.386 -1.991 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(C)CN(CC(N)=O)CCO2)C1 ZINC001107839784 775879963 /nfs/dbraw/zinc/87/99/63/775879963.db2.gz UVJWFQREJOPIAV-FZMZJTMJSA-N 1 1 314.386 -1.991 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cncn1 ZINC001089900832 775880089 /nfs/dbraw/zinc/88/00/89/775880089.db2.gz BQVFZAGNKGERPN-LOWDOPEQSA-N 1 1 318.381 -1.068 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CNC(=O)c1ccncc1 ZINC001127902899 775881097 /nfs/dbraw/zinc/88/10/97/775881097.db2.gz YHMIFXLERABHKD-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107882902 775881845 /nfs/dbraw/zinc/88/18/45/775881845.db2.gz FVFZEQUMHJZDSL-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107882902 775881849 /nfs/dbraw/zinc/88/18/49/775881849.db2.gz FVFZEQUMHJZDSL-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2)C[N@H+](CCO)CCO1 ZINC001107878827 775881880 /nfs/dbraw/zinc/88/18/80/775881880.db2.gz JMBJDENYMLBFGG-AWEZNQCLSA-N 1 1 301.387 -1.482 20 0 DAADMO C[C@]1(CNC(=O)CN2CCOCC2)C[N@@H+](CCO)CCO1 ZINC001107878827 775881885 /nfs/dbraw/zinc/88/18/85/775881885.db2.gz JMBJDENYMLBFGG-AWEZNQCLSA-N 1 1 301.387 -1.482 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107882904 775882089 /nfs/dbraw/zinc/88/20/89/775882089.db2.gz FVFZEQUMHJZDSL-TZMCWYRMSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107882904 775882090 /nfs/dbraw/zinc/88/20/90/775882090.db2.gz FVFZEQUMHJZDSL-TZMCWYRMSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107883257 775882117 /nfs/dbraw/zinc/88/21/17/775882117.db2.gz OZHHIFFUJBZYIF-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107883257 775882120 /nfs/dbraw/zinc/88/21/20/775882120.db2.gz OZHHIFFUJBZYIF-DZGCQCFKSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CNC(=O)c2ccncc2)n1 ZINC001127897445 775882196 /nfs/dbraw/zinc/88/21/96/775882196.db2.gz XNCHBANFIRRLPA-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107882901 775882216 /nfs/dbraw/zinc/88/22/16/775882216.db2.gz FVFZEQUMHJZDSL-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107882901 775882225 /nfs/dbraw/zinc/88/22/25/775882225.db2.gz FVFZEQUMHJZDSL-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO CNC(=O)CC(=O)NC[C@@]1(C)C[N@H+](C[C@@H](O)COC)CCO1 ZINC001107892220 775882865 /nfs/dbraw/zinc/88/28/65/775882865.db2.gz VHXKTRSKZGPGBV-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@@]1(C)C[N@@H+](C[C@@H](O)COC)CCO1 ZINC001107892220 775882875 /nfs/dbraw/zinc/88/28/75/775882875.db2.gz VHXKTRSKZGPGBV-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@]1(C)C[N@H+](C[C@H](O)COC)CCO1 ZINC001107892221 775883086 /nfs/dbraw/zinc/88/30/86/775883086.db2.gz VHXKTRSKZGPGBV-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CC(=O)NC[C@]1(C)C[N@@H+](C[C@H](O)COC)CCO1 ZINC001107892221 775883095 /nfs/dbraw/zinc/88/30/95/775883095.db2.gz VHXKTRSKZGPGBV-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO C[C@]1(CNC(=O)CN2CN=NC2=O)C[N@H+](CCCO)CCO1 ZINC001107887512 775883429 /nfs/dbraw/zinc/88/34/29/775883429.db2.gz WTQJNVSVVXMMPW-ZDUSSCGKSA-N 1 1 313.358 -1.427 20 0 DAADMO C[C@]1(CNC(=O)CN2CN=NC2=O)C[N@@H+](CCCO)CCO1 ZINC001107887512 775883436 /nfs/dbraw/zinc/88/34/36/775883436.db2.gz WTQJNVSVVXMMPW-ZDUSSCGKSA-N 1 1 313.358 -1.427 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887090 775884023 /nfs/dbraw/zinc/88/40/23/775884023.db2.gz RZZSUEVDJWVJFJ-MFKMUULPSA-N 1 1 313.358 -1.428 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107887090 775884035 /nfs/dbraw/zinc/88/40/35/775884035.db2.gz RZZSUEVDJWVJFJ-MFKMUULPSA-N 1 1 313.358 -1.428 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@H+](C[C@@H](C)O)CCO1 ZINC001107920187 775887206 /nfs/dbraw/zinc/88/72/06/775887206.db2.gz NLIRZHZOBCQEFB-RISCZKNCSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(C)C[N@@H+](C[C@@H](C)O)CCO1 ZINC001107920187 775887213 /nfs/dbraw/zinc/88/72/13/775887213.db2.gz NLIRZHZOBCQEFB-RISCZKNCSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)NC(N)=O ZINC001107941708 775889039 /nfs/dbraw/zinc/88/90/39/775889039.db2.gz LNQRIQFZEYWUGR-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H](CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)NC(N)=O ZINC001107941708 775889048 /nfs/dbraw/zinc/88/90/48/775889048.db2.gz LNQRIQFZEYWUGR-MFKMUULPSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@]1(CNC(=O)CO[C@@H]2CCOC2)C[N@H+](CCO)CCO1 ZINC001107943098 775889159 /nfs/dbraw/zinc/88/91/59/775889159.db2.gz ZZQQFSYRTFWNNR-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@]1(CNC(=O)CO[C@@H]2CCOC2)C[N@@H+](CCO)CCO1 ZINC001107943098 775889164 /nfs/dbraw/zinc/88/91/64/775889164.db2.gz ZZQQFSYRTFWNNR-TZMCWYRMSA-N 1 1 302.371 -1.009 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107942441 775889174 /nfs/dbraw/zinc/88/91/74/775889174.db2.gz SGMIRJKXNUOJGW-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107942441 775889178 /nfs/dbraw/zinc/88/91/78/775889178.db2.gz SGMIRJKXNUOJGW-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127941119 775890771 /nfs/dbraw/zinc/89/07/71/775890771.db2.gz PFXYMEXRFDHMJS-UHFFFAOYSA-N 1 1 309.374 -1.278 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946209 775890905 /nfs/dbraw/zinc/89/09/05/775890905.db2.gz RIPCNEMFGPMVHR-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107946209 775890913 /nfs/dbraw/zinc/89/09/13/775890913.db2.gz RIPCNEMFGPMVHR-DGCLKSJQSA-N 1 1 312.374 -1.085 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107948130 775890998 /nfs/dbraw/zinc/89/09/98/775890998.db2.gz SLONIXGCBQKWSS-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107948130 775891008 /nfs/dbraw/zinc/89/10/08/775891008.db2.gz SLONIXGCBQKWSS-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CCc2nnc(C[NH2+]CCO)n2CC1 ZINC001127983966 775894093 /nfs/dbraw/zinc/89/40/93/775894093.db2.gz GEZKODNNNZHNSV-SNVBAGLBSA-N 1 1 324.385 -1.683 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1OC ZINC001212375900 775896191 /nfs/dbraw/zinc/89/61/91/775896191.db2.gz SHGPVFADXSHWIM-IJLUTSLNSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212365808 775896267 /nfs/dbraw/zinc/89/62/67/775896267.db2.gz NFMQVVLUKYKTSN-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212363938 775896936 /nfs/dbraw/zinc/89/69/36/775896936.db2.gz USVWDHVBPJMZGJ-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@H](OC)C1 ZINC001212365626 775897157 /nfs/dbraw/zinc/89/71/57/775897157.db2.gz BXLMTGQQLVFQRD-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001127999357 775898828 /nfs/dbraw/zinc/89/88/28/775898828.db2.gz NWUVPHJBDPTSTB-UWVGGRQHSA-N 1 1 312.374 -1.267 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127999056 775899225 /nfs/dbraw/zinc/89/92/25/775899225.db2.gz JIRVUDYCYMTLQE-SECBINFHSA-N 1 1 321.341 -1.173 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1csnn1 ZINC001168607723 775900462 /nfs/dbraw/zinc/90/04/62/775900462.db2.gz YNDBSBBYZHSORB-UHFFFAOYSA-N 1 1 312.355 -1.314 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107979669 775902088 /nfs/dbraw/zinc/90/20/88/775902088.db2.gz LDMSCOYYUFHYGD-AWEZNQCLSA-N 1 1 317.386 -1.709 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107979669 775902095 /nfs/dbraw/zinc/90/20/95/775902095.db2.gz LDMSCOYYUFHYGD-AWEZNQCLSA-N 1 1 317.386 -1.709 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608082 775903857 /nfs/dbraw/zinc/90/38/57/775903857.db2.gz WAYHCOCLMZBDKG-GHMZBOCLSA-N 1 1 323.340 -1.044 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107984209 775903894 /nfs/dbraw/zinc/90/38/94/775903894.db2.gz WDDIEOZVGAPQII-CQSZACIVSA-N 1 1 317.386 -1.662 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107984209 775903903 /nfs/dbraw/zinc/90/39/03/775903903.db2.gz WDDIEOZVGAPQII-CQSZACIVSA-N 1 1 317.386 -1.662 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099608099 775904108 /nfs/dbraw/zinc/90/41/08/775904108.db2.gz WFTWEAYMWOGUNS-NWDGAFQWSA-N 1 1 319.427 -1.161 20 0 DAADMO CN(CC[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099608099 775904116 /nfs/dbraw/zinc/90/41/16/775904116.db2.gz WFTWEAYMWOGUNS-NWDGAFQWSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099613319 775905573 /nfs/dbraw/zinc/90/55/73/775905573.db2.gz HEDAYXVCCNIUES-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1O ZINC001099613319 775905584 /nfs/dbraw/zinc/90/55/84/775905584.db2.gz HEDAYXVCCNIUES-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CO[C@@H](C)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128033110 775906053 /nfs/dbraw/zinc/90/60/53/775906053.db2.gz QJFPNEVIOHKEIY-VHSXEESVSA-N 1 1 324.385 -1.291 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128033111 775906131 /nfs/dbraw/zinc/90/61/31/775906131.db2.gz QJFPNEVIOHKEIY-ZJUUUORDSA-N 1 1 324.385 -1.291 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099613661 775906786 /nfs/dbraw/zinc/90/67/86/775906786.db2.gz LUSXILDYUYSMAB-VHSXEESVSA-N 1 1 314.342 -2.264 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611673 775906982 /nfs/dbraw/zinc/90/69/82/775906982.db2.gz VOXBEGKSKNNTCN-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)CC2CC2)[C@H](O)C1 ZINC001099611673 775906995 /nfs/dbraw/zinc/90/69/95/775906995.db2.gz VOXBEGKSKNNTCN-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099616865 775907694 /nfs/dbraw/zinc/90/76/94/775907694.db2.gz GDWRZAYZADAGCK-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1O ZINC001099616865 775907704 /nfs/dbraw/zinc/90/77/04/775907704.db2.gz GDWRZAYZADAGCK-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099616864 775908336 /nfs/dbraw/zinc/90/83/36/775908336.db2.gz GDWRZAYZADAGCK-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099616864 775908343 /nfs/dbraw/zinc/90/83/43/775908343.db2.gz GDWRZAYZADAGCK-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CCOCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(N)=O)CC2 ZINC001128048785 775908521 /nfs/dbraw/zinc/90/85/21/775908521.db2.gz PJMDKSQIYGELEZ-SNVBAGLBSA-N 1 1 324.385 -1.289 20 0 DAADMO COCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099618106 775912673 /nfs/dbraw/zinc/91/26/73/775912673.db2.gz OLHJXOJPDHORAV-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099618106 775912684 /nfs/dbraw/zinc/91/26/84/775912684.db2.gz OLHJXOJPDHORAV-RYUDHWBXSA-N 1 1 315.370 -1.957 20 0 DAADMO COCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099620935 775914169 /nfs/dbraw/zinc/91/41/69/775914169.db2.gz RSOPGTBKACQQEK-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C1CS(=O)(=O)C1)c1nncn1C ZINC001128104506 775916437 /nfs/dbraw/zinc/91/64/37/775916437.db2.gz MNUVFVSUPNKIAL-MRVPVSSYSA-N 1 1 301.372 -1.374 20 0 DAADMO COc1nccc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)n1 ZINC001128108330 775916557 /nfs/dbraw/zinc/91/65/57/775916557.db2.gz NQIWDXNHQBHOCS-UHFFFAOYSA-N 1 1 314.367 -1.264 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)C2CS(=O)(=O)C2)n1C ZINC001128108556 775917983 /nfs/dbraw/zinc/91/79/83/775917983.db2.gz RZSBWGDOVFHIJJ-UHFFFAOYSA-N 1 1 315.399 -1.372 20 0 DAADMO C[C@@]1(CNC(=O)C[C@@H]2NC(=O)NC2=O)C[N@H+](CCO)CCO1 ZINC001108001535 775918175 /nfs/dbraw/zinc/91/81/75/775918175.db2.gz GYJVDPGNHCEDRT-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO C[C@@]1(CNC(=O)C[C@@H]2NC(=O)NC2=O)C[N@@H+](CCO)CCO1 ZINC001108001535 775918184 /nfs/dbraw/zinc/91/81/84/775918184.db2.gz GYJVDPGNHCEDRT-TVQRCGJNSA-N 1 1 314.342 -2.216 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[N@@H+]([C@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955714 775919964 /nfs/dbraw/zinc/91/99/64/775919964.db2.gz DSMIHQSXCIOEFP-MNOVXSKESA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[N@H+]([C@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955714 775919973 /nfs/dbraw/zinc/91/99/73/775919973.db2.gz DSMIHQSXCIOEFP-MNOVXSKESA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)CN(CCO)CCO2)O1 ZINC001108023438 775922915 /nfs/dbraw/zinc/92/29/15/775922915.db2.gz BRPDTTAZTTWXQR-NFAWXSAZSA-N 1 1 315.414 -1.095 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108041020 775930209 /nfs/dbraw/zinc/93/02/09/775930209.db2.gz ZKFFYRCKQHZACL-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108041020 775930219 /nfs/dbraw/zinc/93/02/19/775930219.db2.gz ZKFFYRCKQHZACL-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108041021 775930336 /nfs/dbraw/zinc/93/03/36/775930336.db2.gz ZKFFYRCKQHZACL-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108041021 775930346 /nfs/dbraw/zinc/93/03/46/775930346.db2.gz ZKFFYRCKQHZACL-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040000 775930763 /nfs/dbraw/zinc/93/07/63/775930763.db2.gz IOXPZTPSOZAMSL-NOZJJQNGSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001108040000 775930771 /nfs/dbraw/zinc/93/07/71/775930771.db2.gz IOXPZTPSOZAMSL-NOZJJQNGSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@]1(CNC(=O)c2cnn[nH]2)CN(CCOCCO)CCO1 ZINC001108044511 775933726 /nfs/dbraw/zinc/93/37/26/775933726.db2.gz SCGDYZPPZLTIQB-CYBMUJFWSA-N 1 1 313.358 -1.366 20 0 DAADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCS(C)(=O)=O ZINC001117079235 775933855 /nfs/dbraw/zinc/93/38/55/775933855.db2.gz HFLTZINTNDXFOB-WDEREUQCSA-N 1 1 319.427 -1.054 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cccn2nnnc12 ZINC001128200720 775935165 /nfs/dbraw/zinc/93/51/65/775935165.db2.gz WVLPDPHTQFFLSB-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cccn2nnnc12)c1nnnn1C ZINC001128200727 775936105 /nfs/dbraw/zinc/93/61/05/775936105.db2.gz XHFIGZNTSHQNNF-MRVPVSSYSA-N 1 1 316.329 -1.272 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1)N1CCOCC1 ZINC001089984173 775940599 /nfs/dbraw/zinc/94/05/99/775940599.db2.gz QJPFLBIEFRMSAN-UWVGGRQHSA-N 1 1 321.324 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1)N1CCOCC1 ZINC001089984173 775940605 /nfs/dbraw/zinc/94/06/05/775940605.db2.gz QJPFLBIEFRMSAN-UWVGGRQHSA-N 1 1 321.324 -1.338 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3c[nH]cn3)[C@@H](O)C2)C1=O ZINC001083815253 775940977 /nfs/dbraw/zinc/94/09/77/775940977.db2.gz OCHLUFZSVKEDCV-UPJWGTAASA-N 1 1 321.381 -1.266 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833897 775944160 /nfs/dbraw/zinc/94/41/60/775944160.db2.gz JEVGKPWNLIJHPW-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032833897 775944166 /nfs/dbraw/zinc/94/41/66/775944166.db2.gz JEVGKPWNLIJHPW-AXFHLTTASA-N 1 1 311.386 -1.016 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C(F)F ZINC001089988235 775944375 /nfs/dbraw/zinc/94/43/75/775944375.db2.gz GJGWEPRUNIGGBX-IUCAKERBSA-N 1 1 319.308 -1.048 20 0 DAADMO CCC(=O)N[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001089989484 775944833 /nfs/dbraw/zinc/94/48/33/775944833.db2.gz YGVKVDOJESSMQM-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001003037252 775944943 /nfs/dbraw/zinc/94/49/43/775944943.db2.gz WCWCRZQGTJYLRM-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001089989486 775945150 /nfs/dbraw/zinc/94/51/50/775945150.db2.gz YGVKVDOJESSMQM-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001089994519 775946920 /nfs/dbraw/zinc/94/69/20/775946920.db2.gz WEEPVALSJYSKSG-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnccn1 ZINC001090029172 775954345 /nfs/dbraw/zinc/95/43/45/775954345.db2.gz FAVKPOVFIPBQPB-AAEUAGOBSA-N 1 1 317.353 -1.067 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099650861 775956110 /nfs/dbraw/zinc/95/61/10/775956110.db2.gz LQVWBCNBPGEZSK-ZJUUUORDSA-N 1 1 304.347 -2.785 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054448 775957987 /nfs/dbraw/zinc/95/79/87/775957987.db2.gz JPMUQXFCNAQULY-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054448 775957998 /nfs/dbraw/zinc/95/79/98/775957998.db2.gz JPMUQXFCNAQULY-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090055456 775958147 /nfs/dbraw/zinc/95/81/47/775958147.db2.gz SLJZCCXIENHWHA-NWDGAFQWSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090055197 775958543 /nfs/dbraw/zinc/95/85/43/775958543.db2.gz PNEQANHCNXHESP-GHMZBOCLSA-N 1 1 321.345 -2.484 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055576 775959059 /nfs/dbraw/zinc/95/90/59/775959059.db2.gz VIXWWDPXWCTXRK-MNOVXSKESA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055576 775959068 /nfs/dbraw/zinc/95/90/68/775959068.db2.gz VIXWWDPXWCTXRK-MNOVXSKESA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)o1 ZINC001090055624 775959388 /nfs/dbraw/zinc/95/93/88/775959388.db2.gz WAFAAEUFENLGBB-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)o1 ZINC001090055624 775959395 /nfs/dbraw/zinc/95/93/95/775959395.db2.gz WAFAAEUFENLGBB-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001090056748 775961250 /nfs/dbraw/zinc/96/12/50/775961250.db2.gz IBLGZBUGLTXOMB-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001090056748 775961262 /nfs/dbraw/zinc/96/12/62/775961262.db2.gz IBLGZBUGLTXOMB-CHWSQXEVSA-N 1 1 317.353 -1.180 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090057164 775961788 /nfs/dbraw/zinc/96/17/88/775961788.db2.gz JTPRFUNDPFUBHC-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090057164 775961799 /nfs/dbraw/zinc/96/17/99/775961799.db2.gz JTPRFUNDPFUBHC-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090072829 775965490 /nfs/dbraw/zinc/96/54/90/775965490.db2.gz MGANQHVFLKTRQP-STQMWFEESA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090072829 775965505 /nfs/dbraw/zinc/96/55/05/775965505.db2.gz MGANQHVFLKTRQP-STQMWFEESA-N 1 1 321.381 -1.333 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC001090061848 775965686 /nfs/dbraw/zinc/96/56/86/775965686.db2.gz TYSJNEYXKUGWOB-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]2O)cn1 ZINC001090061848 775965694 /nfs/dbraw/zinc/96/56/94/775965694.db2.gz TYSJNEYXKUGWOB-CHWSQXEVSA-N 1 1 321.381 -1.183 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078361 775967248 /nfs/dbraw/zinc/96/72/48/775967248.db2.gz GRSJATXCLAMLGR-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC001090078361 775967257 /nfs/dbraw/zinc/96/72/57/775967257.db2.gz GRSJATXCLAMLGR-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090080657 775967549 /nfs/dbraw/zinc/96/75/49/775967549.db2.gz XDDFGUGYBJXDJI-STQMWFEESA-N 1 1 319.369 -1.274 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c(=O)c1 ZINC001083825347 775968352 /nfs/dbraw/zinc/96/83/52/775968352.db2.gz OFRQSTUKBDHROU-XQQFMLRXSA-N 1 1 309.366 -1.301 20 0 DAADMO CC(C)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090086251 775969326 /nfs/dbraw/zinc/96/93/26/775969326.db2.gz DKCVKSQFPUZYQL-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095814 775970075 /nfs/dbraw/zinc/97/00/75/775970075.db2.gz GBXSUNAUYXJRLL-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083832318 775972514 /nfs/dbraw/zinc/97/25/14/775972514.db2.gz CAZMZGLUXMLTLZ-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083832318 775972518 /nfs/dbraw/zinc/97/25/18/775972518.db2.gz CAZMZGLUXMLTLZ-OLZOCXBDSA-N 1 1 319.369 -1.030 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229839163 775973174 /nfs/dbraw/zinc/97/31/74/775973174.db2.gz BLYDCRFABSTZRO-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](O)C1 ZINC001083829927 775973589 /nfs/dbraw/zinc/97/35/89/775973589.db2.gz NVYYHUOTJGVDKK-PWSUYJOCSA-N 1 1 320.353 -1.539 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccn[nH]1 ZINC001090101125 775973828 /nfs/dbraw/zinc/97/38/28/775973828.db2.gz VRHYLRLGUCNMHJ-JQWIXIFHSA-N 1 1 305.342 -1.134 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 ZINC001083838350 775975684 /nfs/dbraw/zinc/97/56/84/775975684.db2.gz QXKSWHQQYFIJNI-XQQFMLRXSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](O)C1 ZINC001083838350 775975694 /nfs/dbraw/zinc/97/56/94/775975694.db2.gz QXKSWHQQYFIJNI-XQQFMLRXSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CCN(C(=O)CN2CC[C@@H](O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001273069052 775976864 /nfs/dbraw/zinc/97/68/64/775976864.db2.gz FZOBJPZSSKPBGW-CJNGLKHVSA-N 1 1 324.425 -1.134 20 0 DAADMO COCCOCN1CCC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069290 775977259 /nfs/dbraw/zinc/97/72/59/775977259.db2.gz HJSNNYRCBISUDB-CYBMUJFWSA-N 1 1 313.398 -1.040 20 0 DAADMO COCCOCN1CCC12CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069290 775977265 /nfs/dbraw/zinc/97/72/65/775977265.db2.gz HJSNNYRCBISUDB-CYBMUJFWSA-N 1 1 313.398 -1.040 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001273070629 775977323 /nfs/dbraw/zinc/97/73/23/775977323.db2.gz ZDKFEMLVXCAOIS-MELADBBJSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273070628 775977817 /nfs/dbraw/zinc/97/78/17/775977817.db2.gz ZDKFEMLVXCAOIS-BFHYXJOUSA-N 1 1 324.425 -1.326 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069991 775978368 /nfs/dbraw/zinc/97/83/68/775978368.db2.gz OXZRWRKXDZIIHN-RDBSUJKOSA-N 1 1 324.425 -1.326 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090105859 775981338 /nfs/dbraw/zinc/98/13/38/775981338.db2.gz YGZUBHKHKZCOPO-JQWIXIFHSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090105859 775981347 /nfs/dbraw/zinc/98/13/47/775981347.db2.gz YGZUBHKHKZCOPO-JQWIXIFHSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001090107989 775981569 /nfs/dbraw/zinc/98/15/69/775981569.db2.gz LQXKIDJIMANJTJ-NEPJUHHUSA-N 1 1 322.369 -1.400 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC001090107991 775981763 /nfs/dbraw/zinc/98/17/63/775981763.db2.gz LQXKIDJIMANJTJ-NWDGAFQWSA-N 1 1 322.369 -1.400 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)ncc1=O ZINC001108083340 775982548 /nfs/dbraw/zinc/98/25/48/775982548.db2.gz BSRRMIRVEICXSB-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)ncc1=O ZINC001108083340 775982556 /nfs/dbraw/zinc/98/25/56/775982556.db2.gz BSRRMIRVEICXSB-OAHLLOKOSA-N 1 1 324.381 -1.017 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cnsn1 ZINC001090107968 775982763 /nfs/dbraw/zinc/98/27/63/775982763.db2.gz LLOGFDPQASJTPI-ONGXEEELSA-N 1 1 323.382 -1.005 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)ncc1=O ZINC001108085406 775982980 /nfs/dbraw/zinc/98/29/80/775982980.db2.gz YNWOZVTZEGXAGC-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)ncc1=O ZINC001108085406 775982984 /nfs/dbraw/zinc/98/29/84/775982984.db2.gz YNWOZVTZEGXAGC-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)c1 ZINC001090112068 775983860 /nfs/dbraw/zinc/98/38/60/775983860.db2.gz OLVQTNMLGCPERE-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cnn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)c1 ZINC001090112068 775983865 /nfs/dbraw/zinc/98/38/65/775983865.db2.gz OLVQTNMLGCPERE-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnns1 ZINC001090112582 775984267 /nfs/dbraw/zinc/98/42/67/775984267.db2.gz QTUGEGIOIZSWEH-VHSXEESVSA-N 1 1 323.382 -1.005 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccon1 ZINC001090112409 775984457 /nfs/dbraw/zinc/98/44/57/775984457.db2.gz PKNKESLZXRFLEE-JQWIXIFHSA-N 1 1 323.353 -1.135 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1)N1CCC1 ZINC001090111808 775984481 /nfs/dbraw/zinc/98/44/81/775984481.db2.gz ODJHJRVJYKIFQW-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1)N1CCC1 ZINC001090111808 775984487 /nfs/dbraw/zinc/98/44/87/775984487.db2.gz ODJHJRVJYKIFQW-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)c1 ZINC001090112063 775984604 /nfs/dbraw/zinc/98/46/04/775984604.db2.gz OLVQTNMLGCPERE-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)c1 ZINC001090112063 775984609 /nfs/dbraw/zinc/98/46/09/775984609.db2.gz OLVQTNMLGCPERE-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666334 775987805 /nfs/dbraw/zinc/98/78/05/775987805.db2.gz UKXZBDZLKPHPKA-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666334 775987810 /nfs/dbraw/zinc/98/78/10/775987810.db2.gz UKXZBDZLKPHPKA-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001099666554 775987826 /nfs/dbraw/zinc/98/78/26/775987826.db2.gz YFQXAKQQCYRAOQ-VXGBXAGGSA-N 1 1 314.386 -1.225 20 0 DAADMO COC(=O)c1cc(-n2cnc(C[NH3+])n2)nc(S(C)(=O)=O)n1 ZINC001168749021 775987858 /nfs/dbraw/zinc/98/78/58/775987858.db2.gz FODTWKQPCHWDCM-UHFFFAOYSA-N 1 1 312.311 -1.294 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129243 775989793 /nfs/dbraw/zinc/98/97/93/775989793.db2.gz LEZLZPHFPAPMGY-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)[C@H](O)C1 ZINC001090129243 775989803 /nfs/dbraw/zinc/98/98/03/775989803.db2.gz LEZLZPHFPAPMGY-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)S1(=O)=O ZINC001083853122 775990802 /nfs/dbraw/zinc/99/08/02/775990802.db2.gz CVVYUPBLHRKVJF-VWYCJHECSA-N 1 1 321.399 -2.436 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)S1(=O)=O ZINC001083853122 775990809 /nfs/dbraw/zinc/99/08/09/775990809.db2.gz CVVYUPBLHRKVJF-VWYCJHECSA-N 1 1 321.399 -2.436 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090130732 775991714 /nfs/dbraw/zinc/99/17/14/775991714.db2.gz ZZWRLMMBGJBPAF-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090130732 775991725 /nfs/dbraw/zinc/99/17/25/775991725.db2.gz ZZWRLMMBGJBPAF-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)S1(=O)=O ZINC001083853317 775991741 /nfs/dbraw/zinc/99/17/41/775991741.db2.gz NPNHECBQZHWEIP-KXUCPTDWSA-N 1 1 307.372 -2.826 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)S1(=O)=O ZINC001083853317 775991749 /nfs/dbraw/zinc/99/17/49/775991749.db2.gz NPNHECBQZHWEIP-KXUCPTDWSA-N 1 1 307.372 -2.826 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001128594682 775992463 /nfs/dbraw/zinc/99/24/63/775992463.db2.gz KAIKRMIWXCOOMI-UHFFFAOYSA-N 1 1 315.399 -1.070 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nncn1C ZINC001128594532 775992776 /nfs/dbraw/zinc/99/27/76/775992776.db2.gz FSWSRQFIQAYDAT-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)n1 ZINC001128600570 775992961 /nfs/dbraw/zinc/99/29/61/775992961.db2.gz AWBODHDAYLUQBQ-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128600636 775992979 /nfs/dbraw/zinc/99/29/79/775992979.db2.gz CPUATVKIHASQOS-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128607988 775995809 /nfs/dbraw/zinc/99/58/09/775995809.db2.gz REULAURPEDARCP-KGLIPLIRSA-N 1 1 324.385 -1.208 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001128594947 775995860 /nfs/dbraw/zinc/99/58/60/775995860.db2.gz NWVOYDBAQMFCQJ-UHFFFAOYSA-N 1 1 304.376 -1.742 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)on1 ZINC001128603271 775996486 /nfs/dbraw/zinc/99/64/86/775996486.db2.gz DYDKGEDTDNIIRH-UHFFFAOYSA-N 1 1 320.371 -1.220 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)nc1 ZINC001128603447 775996635 /nfs/dbraw/zinc/99/66/35/775996635.db2.gz IANIAYHBCGWDAT-UHFFFAOYSA-N 1 1 315.399 -1.070 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1cnns1 ZINC001128608855 775996815 /nfs/dbraw/zinc/99/68/15/775996815.db2.gz CVPFIYYJHMHSKW-UHFFFAOYSA-N 1 1 307.401 -1.317 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128603941 775997240 /nfs/dbraw/zinc/99/72/40/775997240.db2.gz PZUSWDHVHYRBCA-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001128603343 775997385 /nfs/dbraw/zinc/99/73/85/775997385.db2.gz GBDJPPGRPFCCHA-MRVPVSSYSA-N 1 1 319.391 -2.132 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)n1 ZINC001128603863 775997791 /nfs/dbraw/zinc/99/77/91/775997791.db2.gz OLVJQHOFRIQIKL-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001128614532 775998281 /nfs/dbraw/zinc/99/82/81/775998281.db2.gz XCGDTVHJHOMWLQ-UHFFFAOYSA-N 1 1 305.364 -2.693 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CCNS(C)(=O)=O)on1 ZINC001128609240 775998595 /nfs/dbraw/zinc/99/85/95/775998595.db2.gz QHCLTFCFDSNLCK-UHFFFAOYSA-N 1 1 320.371 -1.172 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN(C)C(=O)COC)nn1 ZINC001128624047 776001102 /nfs/dbraw/zinc/00/11/02/776001102.db2.gz MHVOTEFKAKSVBU-UHFFFAOYSA-N 1 1 312.374 -1.391 20 0 DAADMO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001128633131 776002453 /nfs/dbraw/zinc/00/24/53/776002453.db2.gz MMLVWQCYVGYUQH-VHSXEESVSA-N 1 1 309.374 -1.422 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128646854 776003003 /nfs/dbraw/zinc/00/30/03/776003003.db2.gz ICIBWERZITVSPB-JLLWLGSASA-N 1 1 310.358 -1.864 20 0 DAADMO CC(C)N1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001128640188 776003292 /nfs/dbraw/zinc/00/32/92/776003292.db2.gz PCKRBTRPOYEDAO-JTQLQIEISA-N 1 1 309.374 -1.327 20 0 DAADMO CC(C)N1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001128640191 776003694 /nfs/dbraw/zinc/00/36/94/776003694.db2.gz PCKRBTRPOYEDAO-SNVBAGLBSA-N 1 1 309.374 -1.327 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CC1=O ZINC001128649707 776005250 /nfs/dbraw/zinc/00/52/50/776005250.db2.gz GGPOTRIEZRVJQL-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128653331 776005385 /nfs/dbraw/zinc/00/53/85/776005385.db2.gz XGLRZFHYOUMMOQ-RTXFEEFZSA-N 1 1 324.385 -1.209 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128653331 776005388 /nfs/dbraw/zinc/00/53/88/776005388.db2.gz XGLRZFHYOUMMOQ-RTXFEEFZSA-N 1 1 324.385 -1.209 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128647725 776005418 /nfs/dbraw/zinc/00/54/18/776005418.db2.gz XAHAFZORPKJUKU-UHTWSYAYSA-N 1 1 324.385 -1.209 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664184 776005471 /nfs/dbraw/zinc/00/54/71/776005471.db2.gz AMXTVOIXZMBYLB-SNVBAGLBSA-N 1 1 309.374 -1.062 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C2CC2)CC1=O ZINC001128665815 776007617 /nfs/dbraw/zinc/00/76/17/776007617.db2.gz UMBBDCWGTMCWDD-SECBINFHSA-N 1 1 307.358 -1.308 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128672083 776007974 /nfs/dbraw/zinc/00/79/74/776007974.db2.gz FXAUONMAMPVPMJ-JTQLQIEISA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128681543 776008944 /nfs/dbraw/zinc/00/89/44/776008944.db2.gz DPUXBCMVQPLFMO-AEJSXWLSSA-N 1 1 311.346 -2.331 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cocn1 ZINC001090141460 776010794 /nfs/dbraw/zinc/01/07/94/776010794.db2.gz MVIYPJMKSURTDP-ZYHUDNBSSA-N 1 1 323.353 -1.135 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cocn1 ZINC001090141456 776011152 /nfs/dbraw/zinc/01/11/52/776011152.db2.gz MVIYPJMKSURTDP-JQWIXIFHSA-N 1 1 323.353 -1.135 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128731506 776012469 /nfs/dbraw/zinc/01/24/69/776012469.db2.gz RJALYACTFSYQBV-RTXFEEFZSA-N 1 1 324.385 -1.521 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1nncn1C)N1C(=O)CCC1=O ZINC001128728614 776013643 /nfs/dbraw/zinc/01/36/43/776013643.db2.gz SVKDLDLJFOLDRC-SECBINFHSA-N 1 1 308.342 -1.442 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1C(=O)CCC1=O ZINC001128727754 776013919 /nfs/dbraw/zinc/01/39/19/776013919.db2.gz HVKDFJNOQPNJHY-MRVPVSSYSA-N 1 1 309.330 -2.047 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccc2nncn2c1 ZINC001083857601 776015083 /nfs/dbraw/zinc/01/50/83/776015083.db2.gz HMDJWYKHHWSXKV-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](O)C1 ZINC001083857336 776015238 /nfs/dbraw/zinc/01/52/38/776015238.db2.gz QEUHZSCGJRFVFZ-WCQGTBRESA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](O)C1 ZINC001083857065 776015368 /nfs/dbraw/zinc/01/53/68/776015368.db2.gz CCSKZDKGSDLMAH-IEBDPFPHSA-N 1 1 321.337 -1.409 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCCN1C(=O)CCC1=O ZINC001128752660 776016045 /nfs/dbraw/zinc/01/60/45/776016045.db2.gz GLEKVHMUJTTYNW-UHFFFAOYSA-N 1 1 323.357 -1.655 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)co1 ZINC001128763856 776016946 /nfs/dbraw/zinc/01/69/46/776016946.db2.gz JYJKXLMMENYNTK-UHFFFAOYSA-N 1 1 321.337 -1.251 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2nccs2)c1=O ZINC001128763650 776017032 /nfs/dbraw/zinc/01/70/32/776017032.db2.gz FYXUWNODLYBMBP-UHFFFAOYSA-N 1 1 323.378 -1.091 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763861 776017175 /nfs/dbraw/zinc/01/71/75/776017175.db2.gz KEAVWHNRRNYBQP-UHFFFAOYSA-N 1 1 321.337 -1.251 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)nn1 ZINC001128764135 776017254 /nfs/dbraw/zinc/01/72/54/776017254.db2.gz RVKBDDYRMQRVMX-UHFFFAOYSA-N 1 1 321.341 -2.419 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090148926 776019414 /nfs/dbraw/zinc/01/94/14/776019414.db2.gz KFXGFPWSKJJBPF-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090148926 776019418 /nfs/dbraw/zinc/01/94/18/776019418.db2.gz KFXGFPWSKJJBPF-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099671503 776019435 /nfs/dbraw/zinc/01/94/35/776019435.db2.gz JJVSKBRBNPUUEX-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO CC(C)C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1O ZINC001099671503 776019441 /nfs/dbraw/zinc/01/94/41/776019441.db2.gz JJVSKBRBNPUUEX-QWRGUYRKSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001128789814 776021295 /nfs/dbraw/zinc/02/12/95/776021295.db2.gz MGQRLVWCZXNLQW-UHFFFAOYSA-N 1 1 309.374 -1.173 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC001090159784 776021785 /nfs/dbraw/zinc/02/17/85/776021785.db2.gz WGHZRAWERYHESY-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO Cc1c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)nnn1C ZINC001090159784 776021789 /nfs/dbraw/zinc/02/17/89/776021789.db2.gz WGHZRAWERYHESY-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128786034 776022117 /nfs/dbraw/zinc/02/21/17/776022117.db2.gz VAKJBVWGKYBXTL-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128786034 776022125 /nfs/dbraw/zinc/02/21/25/776022125.db2.gz VAKJBVWGKYBXTL-NEPJUHHUSA-N 1 1 324.385 -1.472 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1nc(C2CC2)nn1C ZINC001128795787 776023581 /nfs/dbraw/zinc/02/35/81/776023581.db2.gz VAOGGDCJBBFPBQ-UHFFFAOYSA-N 1 1 309.374 -1.173 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001128790213 776023645 /nfs/dbraw/zinc/02/36/45/776023645.db2.gz SDYHDXOLRGPZKM-UHFFFAOYSA-N 1 1 311.346 -2.057 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[NH2+]Cc1ccon1 ZINC001128814776 776025828 /nfs/dbraw/zinc/02/58/28/776025828.db2.gz WOZTXAFXOKGKLD-UHFFFAOYSA-N 1 1 302.356 -1.084 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CN1CCCS1(=O)=O ZINC001128814760 776026445 /nfs/dbraw/zinc/02/64/45/776026445.db2.gz WHBUFSAEOXLJFS-UHFFFAOYSA-N 1 1 315.399 -1.339 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128861060 776029148 /nfs/dbraw/zinc/02/91/48/776029148.db2.gz QVOAHNGOEXCCGK-TUAOUCFPSA-N 1 1 324.385 -1.344 20 0 DAADMO C[C@]1(CNC(=O)CN2CCNC(=O)C2)C[N@H+](CCO)CCO1 ZINC001108117889 776029548 /nfs/dbraw/zinc/02/95/48/776029548.db2.gz OFXOMOACXPQDMX-AWEZNQCLSA-N 1 1 314.386 -2.382 20 0 DAADMO C[C@]1(CNC(=O)CN2CCNC(=O)C2)C[N@@H+](CCO)CCO1 ZINC001108117889 776029557 /nfs/dbraw/zinc/02/95/57/776029557.db2.gz OFXOMOACXPQDMX-AWEZNQCLSA-N 1 1 314.386 -2.382 20 0 DAADMO COCCCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860446 776029774 /nfs/dbraw/zinc/02/97/74/776029774.db2.gz DQAYQSMCOGHZAC-NEPJUHHUSA-N 1 1 324.385 -1.078 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090197838 776031857 /nfs/dbraw/zinc/03/18/57/776031857.db2.gz QJTSKOVIBCMVEV-ZJUUUORDSA-N 1 1 301.322 -1.105 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001108119295 776032034 /nfs/dbraw/zinc/03/20/34/776032034.db2.gz KUEQPYKWHZPUAD-RISCZKNCSA-N 1 1 314.386 -1.137 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001108119295 776032041 /nfs/dbraw/zinc/03/20/41/776032041.db2.gz KUEQPYKWHZPUAD-RISCZKNCSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090203825 776034483 /nfs/dbraw/zinc/03/44/83/776034483.db2.gz JZNPOMGIHRGHON-CHWSQXEVSA-N 1 1 301.387 -1.748 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090210183 776036395 /nfs/dbraw/zinc/03/63/95/776036395.db2.gz LILBXGBGBOOXPN-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@H](O)C1 ZINC001090210183 776036404 /nfs/dbraw/zinc/03/64/04/776036404.db2.gz LILBXGBGBOOXPN-VXGBXAGGSA-N 1 1 307.354 -1.270 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128939456 776037034 /nfs/dbraw/zinc/03/70/34/776037034.db2.gz RKNHVNUVLBVLEP-AXFHLTTASA-N 1 1 310.358 -1.864 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128967279 776038974 /nfs/dbraw/zinc/03/89/74/776038974.db2.gz JFINIUYBSOYLBB-UHFFFAOYSA-N 1 1 308.342 -1.400 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213348 776039130 /nfs/dbraw/zinc/03/91/30/776039130.db2.gz IRQIYIZNCZTPLW-QWHCGFSZSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)[C@H](O)C1 ZINC001090213348 776039137 /nfs/dbraw/zinc/03/91/37/776039137.db2.gz IRQIYIZNCZTPLW-QWHCGFSZSA-N 1 1 311.382 -1.027 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128972976 776039615 /nfs/dbraw/zinc/03/96/15/776039615.db2.gz PVFPBNFMEAETLA-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1)N1CCC1 ZINC001090216116 776039668 /nfs/dbraw/zinc/03/96/68/776039668.db2.gz LJHOXMGVFLYEJM-STQMWFEESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@@H](O)C1)N1CCC1 ZINC001090216116 776039681 /nfs/dbraw/zinc/03/96/81/776039681.db2.gz LJHOXMGVFLYEJM-STQMWFEESA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001090228881 776042742 /nfs/dbraw/zinc/04/27/42/776042742.db2.gz ULQRWSYEOVKLGE-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)[C@@H](O)C1 ZINC001090228881 776042749 /nfs/dbraw/zinc/04/27/49/776042749.db2.gz ULQRWSYEOVKLGE-STQMWFEESA-N 1 1 323.397 -1.398 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128986089 776043601 /nfs/dbraw/zinc/04/36/01/776043601.db2.gz FNPCQMCZOUFISO-UHFFFAOYSA-N 1 1 310.358 -1.106 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090238595 776045057 /nfs/dbraw/zinc/04/50/57/776045057.db2.gz ZAUXQVPKIYVPHQ-PWSUYJOCSA-N 1 1 320.357 -1.728 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090238299 776045773 /nfs/dbraw/zinc/04/57/73/776045773.db2.gz WNTCFOPUPNZUJN-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090238299 776045777 /nfs/dbraw/zinc/04/57/77/776045777.db2.gz WNTCFOPUPNZUJN-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242653 776046458 /nfs/dbraw/zinc/04/64/58/776046458.db2.gz ZTBZTFHFCDZYDU-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@H](O)C1 ZINC001090242653 776046462 /nfs/dbraw/zinc/04/64/62/776046462.db2.gz ZTBZTFHFCDZYDU-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128988850 776046997 /nfs/dbraw/zinc/04/69/97/776046997.db2.gz GMHWHCJLZQRGSM-NEPJUHHUSA-N 1 1 309.370 -1.083 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128988850 776047002 /nfs/dbraw/zinc/04/70/02/776047002.db2.gz GMHWHCJLZQRGSM-NEPJUHHUSA-N 1 1 309.370 -1.083 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090242651 776047034 /nfs/dbraw/zinc/04/70/34/776047034.db2.gz ZTBZTFHFCDZYDU-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090242651 776047040 /nfs/dbraw/zinc/04/70/40/776047040.db2.gz ZTBZTFHFCDZYDU-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC001090246323 776047222 /nfs/dbraw/zinc/04/72/22/776047222.db2.gz JMJKHWJOLMQBAC-NEPJUHHUSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)n1 ZINC001090246323 776047226 /nfs/dbraw/zinc/04/72/26/776047226.db2.gz JMJKHWJOLMQBAC-NEPJUHHUSA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(CCc1cnc[nH]1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128992021 776048677 /nfs/dbraw/zinc/04/86/77/776048677.db2.gz LFXAMJPQENUGKK-UHFFFAOYSA-N 1 1 322.369 -1.994 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090249194 776048778 /nfs/dbraw/zinc/04/87/78/776048778.db2.gz MVSRKSOPYIKKBC-MNOVXSKESA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090249194 776048781 /nfs/dbraw/zinc/04/87/81/776048781.db2.gz MVSRKSOPYIKKBC-MNOVXSKESA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1ncc[nH]1 ZINC001090252426 776050542 /nfs/dbraw/zinc/05/05/42/776050542.db2.gz SXTQJEIJKIEVTF-WDEREUQCSA-N 1 1 322.369 -1.400 20 0 DAADMO C[NH+]1CCN(CCC(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001143237672 776052928 /nfs/dbraw/zinc/05/29/28/776052928.db2.gz PRABPTJINVGMEG-UHFFFAOYSA-N 1 1 317.394 -1.712 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n[nH]1 ZINC001090258801 776053117 /nfs/dbraw/zinc/05/31/17/776053117.db2.gz PRYQYRKUDNWCFE-WDEREUQCSA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090258801 776053120 /nfs/dbraw/zinc/05/31/20/776053120.db2.gz PRYQYRKUDNWCFE-WDEREUQCSA-N 1 1 324.385 -1.705 20 0 DAADMO Cc1nnc(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)[nH]1 ZINC001090258801 776053124 /nfs/dbraw/zinc/05/31/24/776053124.db2.gz PRYQYRKUDNWCFE-WDEREUQCSA-N 1 1 324.385 -1.705 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228592 776055049 /nfs/dbraw/zinc/05/50/49/776055049.db2.gz YWADSNABLTWQIQ-UPJWGTAASA-N 1 1 310.402 -1.048 20 0 DAADMO C[C@@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228592 776055055 /nfs/dbraw/zinc/05/50/55/776055055.db2.gz YWADSNABLTWQIQ-UPJWGTAASA-N 1 1 310.402 -1.048 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868977 776055893 /nfs/dbraw/zinc/05/58/93/776055893.db2.gz HPPANNSGMRTCQW-AXFHLTTASA-N 1 1 312.370 -1.254 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869259 776056095 /nfs/dbraw/zinc/05/60/95/776056095.db2.gz VZFVGNYAHNEYIG-BDAKNGLRSA-N 1 1 300.315 -2.654 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083869630 776057152 /nfs/dbraw/zinc/05/71/52/776057152.db2.gz QFQVNHDLFQJATO-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090260947 776058959 /nfs/dbraw/zinc/05/89/59/776058959.db2.gz LSZPRUPFBIEAIK-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090260947 776058967 /nfs/dbraw/zinc/05/89/67/776058967.db2.gz LSZPRUPFBIEAIK-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@]1(CNC(=O)c2c[nH]c(=O)cn2)C[N@H+](CCCO)CCO1 ZINC001108167629 776060659 /nfs/dbraw/zinc/06/06/59/776060659.db2.gz NVBDNYMNNDBHAA-AWEZNQCLSA-N 1 1 310.354 -1.027 20 0 DAADMO C[C@]1(CNC(=O)c2c[nH]c(=O)cn2)C[N@@H+](CCCO)CCO1 ZINC001108167629 776060665 /nfs/dbraw/zinc/06/06/65/776060665.db2.gz NVBDNYMNNDBHAA-AWEZNQCLSA-N 1 1 310.354 -1.027 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)on1 ZINC001090267373 776062687 /nfs/dbraw/zinc/06/26/87/776062687.db2.gz BEZUBABTMFUYPZ-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)on1 ZINC001090267373 776062695 /nfs/dbraw/zinc/06/26/95/776062695.db2.gz BEZUBABTMFUYPZ-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CNC(=O)N2)C[N@H+](CCCO)CCO1 ZINC001108168485 776062888 /nfs/dbraw/zinc/06/28/88/776062888.db2.gz BGRSTYPROCWVOQ-GWCFXTLKSA-N 1 1 300.359 -1.743 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2CNC(=O)N2)C[N@@H+](CCCO)CCO1 ZINC001108168485 776062896 /nfs/dbraw/zinc/06/28/96/776062896.db2.gz BGRSTYPROCWVOQ-GWCFXTLKSA-N 1 1 300.359 -1.743 20 0 DAADMO CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108169572 776063166 /nfs/dbraw/zinc/06/31/66/776063166.db2.gz RICAPZOMFWMSEL-BXUZGUMPSA-N 1 1 314.386 -1.089 20 0 DAADMO CCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108169572 776063170 /nfs/dbraw/zinc/06/31/70/776063170.db2.gz RICAPZOMFWMSEL-BXUZGUMPSA-N 1 1 314.386 -1.089 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267539 776064804 /nfs/dbraw/zinc/06/48/04/776064804.db2.gz BVMFPOVTOTURCZ-QWRGUYRKSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090267539 776064811 /nfs/dbraw/zinc/06/48/11/776064811.db2.gz BVMFPOVTOTURCZ-QWRGUYRKSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268023 776065040 /nfs/dbraw/zinc/06/50/40/776065040.db2.gz FYHZQRPOCQBMFR-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268023 776065048 /nfs/dbraw/zinc/06/50/48/776065048.db2.gz FYHZQRPOCQBMFR-NWDGAFQWSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267534 776065219 /nfs/dbraw/zinc/06/52/19/776065219.db2.gz BVMFPOVTOTURCZ-GHMZBOCLSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267534 776065221 /nfs/dbraw/zinc/06/52/21/776065221.db2.gz BVMFPOVTOTURCZ-GHMZBOCLSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090268121 776065260 /nfs/dbraw/zinc/06/52/60/776065260.db2.gz GXLZTQWYMFWKJA-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001090268387 776066401 /nfs/dbraw/zinc/06/64/01/776066401.db2.gz KIMVVSSSERXWEV-QWHCGFSZSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001090268766 776066746 /nfs/dbraw/zinc/06/67/46/776066746.db2.gz OVTUTAUUNILJOB-ATMFLTRRSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C/C=C\Cl)C[C@H]1O ZINC001090268766 776066753 /nfs/dbraw/zinc/06/67/53/776066753.db2.gz OVTUTAUUNILJOB-ATMFLTRRSA-N 1 1 300.750 -1.023 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001083876777 776066994 /nfs/dbraw/zinc/06/69/94/776066994.db2.gz QBCICKNWHHFYFE-NEPJUHHUSA-N 1 1 306.326 -1.179 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001083876777 776066998 /nfs/dbraw/zinc/06/69/98/776066998.db2.gz QBCICKNWHHFYFE-NEPJUHHUSA-N 1 1 306.326 -1.179 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001090268385 776067185 /nfs/dbraw/zinc/06/71/85/776067185.db2.gz KIMVVSSSERXWEV-CHWSQXEVSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1cnon1 ZINC001083876540 776067297 /nfs/dbraw/zinc/06/72/97/776067297.db2.gz HBHVCFHLZNRDFZ-GDPRMGEGSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1cnon1 ZINC001083876540 776067303 /nfs/dbraw/zinc/06/73/03/776067303.db2.gz HBHVCFHLZNRDFZ-GDPRMGEGSA-N 1 1 319.325 -1.377 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)o1 ZINC001090269346 776068277 /nfs/dbraw/zinc/06/82/77/776068277.db2.gz RPPKNSUBOYGROM-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@H](O)C2)o1 ZINC001090269346 776068287 /nfs/dbraw/zinc/06/82/87/776068287.db2.gz RPPKNSUBOYGROM-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877397 776068720 /nfs/dbraw/zinc/06/87/20/776068720.db2.gz WDMVVCMYQYWFQW-BBBLOLIVSA-N 1 1 306.326 -1.720 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877397 776068723 /nfs/dbraw/zinc/06/87/23/776068723.db2.gz WDMVVCMYQYWFQW-BBBLOLIVSA-N 1 1 306.326 -1.720 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090269558 776068748 /nfs/dbraw/zinc/06/87/48/776068748.db2.gz SOXLMPOQFIDFJV-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)cn1 ZINC001090269558 776068750 /nfs/dbraw/zinc/06/87/50/776068750.db2.gz SOXLMPOQFIDFJV-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)o1 ZINC001090269340 776068788 /nfs/dbraw/zinc/06/87/88/776068788.db2.gz RPPKNSUBOYGROM-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)o1 ZINC001090269340 776068791 /nfs/dbraw/zinc/06/87/91/776068791.db2.gz RPPKNSUBOYGROM-NEPJUHHUSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cnon1 ZINC001083877818 776068892 /nfs/dbraw/zinc/06/88/92/776068892.db2.gz PECJDHYSPULIQX-JLLWLGSASA-N 1 1 322.325 -1.898 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1cnon1 ZINC001083877818 776068894 /nfs/dbraw/zinc/06/88/94/776068894.db2.gz PECJDHYSPULIQX-JLLWLGSASA-N 1 1 322.325 -1.898 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001108175080 776071430 /nfs/dbraw/zinc/07/14/30/776071430.db2.gz PFDRFRFOJMSXJS-HZMBPMFUSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@]1(CNC(=O)C(N)=O)C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001108175080 776071435 /nfs/dbraw/zinc/07/14/35/776071435.db2.gz PFDRFRFOJMSXJS-HZMBPMFUSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001108175081 776071613 /nfs/dbraw/zinc/07/16/13/776071613.db2.gz PFDRFRFOJMSXJS-IINYFYTJSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@@]1(CNC(=O)C(N)=O)C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001108175081 776071617 /nfs/dbraw/zinc/07/16/17/776071617.db2.gz PFDRFRFOJMSXJS-IINYFYTJSA-N 1 1 322.369 -1.542 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC001083879814 776072073 /nfs/dbraw/zinc/07/20/73/776072073.db2.gz BQDZMAMWURMZAU-MNOVXSKESA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC001083879814 776072076 /nfs/dbraw/zinc/07/20/76/776072076.db2.gz BQDZMAMWURMZAU-MNOVXSKESA-N 1 1 303.326 -1.457 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274995 776075512 /nfs/dbraw/zinc/07/55/12/776075512.db2.gz JZCTXSDMXNDQPL-GHMZBOCLSA-N 1 1 324.385 -1.416 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090277995 776076840 /nfs/dbraw/zinc/07/68/40/776076840.db2.gz ZNLFSDQBKMAAMX-RKDXNWHRSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090277995 776076842 /nfs/dbraw/zinc/07/68/42/776076842.db2.gz ZNLFSDQBKMAAMX-RKDXNWHRSA-N 1 1 314.321 -2.102 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090277779 776077143 /nfs/dbraw/zinc/07/71/43/776077143.db2.gz YGSCUGMQLCAMIF-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099690836 776078006 /nfs/dbraw/zinc/07/80/06/776078006.db2.gz VTZUKAORYYWRBC-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099690836 776078017 /nfs/dbraw/zinc/07/80/17/776078017.db2.gz VTZUKAORYYWRBC-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083885353 776078444 /nfs/dbraw/zinc/07/84/44/776078444.db2.gz GXCJHUYOEHORSR-ZJUUUORDSA-N 1 1 312.326 -2.108 20 0 DAADMO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)NC1=O ZINC001273178924 776079060 /nfs/dbraw/zinc/07/90/60/776079060.db2.gz SJGKBUGPKAGAEC-FIQHERPVSA-N 1 1 308.382 -1.068 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)NCC[NH2+]Cc1ncnn1CCF ZINC001129297512 776081913 /nfs/dbraw/zinc/08/19/13/776081913.db2.gz MMXGSSDHICRBSM-JTQLQIEISA-N 1 1 312.349 -1.020 20 0 DAADMO Cn1ncc2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)cnc21 ZINC001083893852 776082939 /nfs/dbraw/zinc/08/29/39/776082939.db2.gz HKGZEKNQLJFMCH-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO Cn1ncc2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC001083893852 776082942 /nfs/dbraw/zinc/08/29/42/776082942.db2.gz HKGZEKNQLJFMCH-NEPJUHHUSA-N 1 1 305.338 -1.265 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090289504 776084652 /nfs/dbraw/zinc/08/46/52/776084652.db2.gz AQFGOTVSBQTVCM-GHMZBOCLSA-N 1 1 306.384 -2.035 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090289504 776084658 /nfs/dbraw/zinc/08/46/58/776084658.db2.gz AQFGOTVSBQTVCM-GHMZBOCLSA-N 1 1 306.384 -2.035 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312477 776085353 /nfs/dbraw/zinc/08/53/53/776085353.db2.gz FOELPOHYDJMCLL-UTUOFQBUSA-N 1 1 324.385 -1.521 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090294495 776088489 /nfs/dbraw/zinc/08/84/89/776088489.db2.gz YSOVTZMKWLUTEI-RYUDHWBXSA-N 1 1 302.396 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296617 776090313 /nfs/dbraw/zinc/09/03/13/776090313.db2.gz BOYNSZRRVXBGES-WDEREUQCSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296617 776090315 /nfs/dbraw/zinc/09/03/15/776090315.db2.gz BOYNSZRRVXBGES-WDEREUQCSA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090297433 776091522 /nfs/dbraw/zinc/09/15/22/776091522.db2.gz JCDAJOVWZDCMLM-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090298481 776092968 /nfs/dbraw/zinc/09/29/68/776092968.db2.gz PWHARMCZOYZGTO-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090307395 776093419 /nfs/dbraw/zinc/09/34/19/776093419.db2.gz AENBWDMBXFLBQT-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090307387 776093492 /nfs/dbraw/zinc/09/34/92/776093492.db2.gz AENBWDMBXFLBQT-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090311110 776095632 /nfs/dbraw/zinc/09/56/32/776095632.db2.gz QDWZBPNNPXYBOH-WDEREUQCSA-N 1 1 321.399 -2.434 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090311416 776095655 /nfs/dbraw/zinc/09/56/55/776095655.db2.gz SRMUUADLFARRKV-MNOVXSKESA-N 1 1 310.354 -1.882 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](O)C1 ZINC001090311785 776095978 /nfs/dbraw/zinc/09/59/78/776095978.db2.gz YJTALMVHOBSMQF-NWDGAFQWSA-N 1 1 324.381 -1.492 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)[nH]n1 ZINC001099696076 776097233 /nfs/dbraw/zinc/09/72/33/776097233.db2.gz STFOXQXBKXAGAP-YPMHNXCESA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090327257 776097776 /nfs/dbraw/zinc/09/77/76/776097776.db2.gz PUFPFFUMFVZQBR-VXGBXAGGSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090325395 776097806 /nfs/dbraw/zinc/09/78/06/776097806.db2.gz BGHJZUGWSZEHHH-QWRGUYRKSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090325395 776097808 /nfs/dbraw/zinc/09/78/08/776097808.db2.gz BGHJZUGWSZEHHH-QWRGUYRKSA-N 1 1 303.334 -1.634 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090327255 776098192 /nfs/dbraw/zinc/09/81/92/776098192.db2.gz PUFPFFUMFVZQBR-NWDGAFQWSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090327895 776099081 /nfs/dbraw/zinc/09/90/81/776099081.db2.gz VQZJZZJFUDSQFJ-STQMWFEESA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC001090327426 776099492 /nfs/dbraw/zinc/09/94/92/776099492.db2.gz RJZQUEUDQDUAHR-KOLCDFICSA-N 1 1 306.326 -1.490 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC001090325994 776099521 /nfs/dbraw/zinc/09/95/21/776099521.db2.gz GKYOJAMLSNHHNP-JQWIXIFHSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083924967 776101556 /nfs/dbraw/zinc/10/15/56/776101556.db2.gz IIBLZRUCGASJRR-BDAKNGLRSA-N 1 1 300.315 -2.918 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925186 776102039 /nfs/dbraw/zinc/10/20/39/776102039.db2.gz SOLKDFSWAFZDAM-AEJSXWLSSA-N 1 1 314.342 -2.530 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC001090338084 776102197 /nfs/dbraw/zinc/10/21/97/776102197.db2.gz XXACEDUSZMZFSB-CMPLNLGQSA-N 1 1 310.354 -1.429 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001090337523 776102283 /nfs/dbraw/zinc/10/22/83/776102283.db2.gz RYGBBLSAGPZQMB-PWSUYJOCSA-N 1 1 310.354 -1.408 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](O)C1 ZINC001083927235 776104588 /nfs/dbraw/zinc/10/45/88/776104588.db2.gz ALMFFIAVRKPSJD-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO Cc1cn2ccnc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)c2n1 ZINC001083930125 776106022 /nfs/dbraw/zinc/10/60/22/776106022.db2.gz XQFYLXQFVIWVNG-MNOVXSKESA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1cn2ccnc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)c2n1 ZINC001083930125 776106029 /nfs/dbraw/zinc/10/60/29/776106029.db2.gz XQFYLXQFVIWVNG-MNOVXSKESA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c(=O)[nH]c1C ZINC001090358148 776107073 /nfs/dbraw/zinc/10/70/73/776107073.db2.gz KJBICQIKQMHVTC-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cn2c(n1)COCC2 ZINC001090362219 776107288 /nfs/dbraw/zinc/10/72/88/776107288.db2.gz UUGPBUKIXCVYLI-WCQYABFASA-N 1 1 324.381 -1.039 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090365163 776108966 /nfs/dbraw/zinc/10/89/66/776108966.db2.gz NTZIJHGARRKAHV-QWHCGFSZSA-N 1 1 307.350 -1.057 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118336169 776108978 /nfs/dbraw/zinc/10/89/78/776108978.db2.gz FOQNIKQRXYIECO-WDEREUQCSA-N 1 1 313.354 -1.667 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099702707 776111396 /nfs/dbraw/zinc/11/13/96/776111396.db2.gz YJLJKKYEOAUIQO-ZIAGYGMSSA-N 1 1 324.381 -1.041 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)CC1=O ZINC001090369198 776114057 /nfs/dbraw/zinc/11/40/57/776114057.db2.gz VXZJLMOPPUIAHH-KGLIPLIRSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cc1=O ZINC001090368930 776114463 /nfs/dbraw/zinc/11/44/63/776114463.db2.gz TVVLMMILKMNNIK-QWHCGFSZSA-N 1 1 309.366 -1.067 20 0 DAADMO CCN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C)C1 ZINC001118682705 776115176 /nfs/dbraw/zinc/11/51/76/776115176.db2.gz QTMMHSRQYXAZGR-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)nc(C)[nH+]1 ZINC001090370660 776117815 /nfs/dbraw/zinc/11/78/15/776117815.db2.gz VJKGHYJJPNUINW-NXEZZACHSA-N 1 1 308.342 -1.573 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090372741 776119484 /nfs/dbraw/zinc/11/94/84/776119484.db2.gz YZGILWLCVUOEPM-VXGBXAGGSA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090372741 776119488 /nfs/dbraw/zinc/11/94/88/776119488.db2.gz YZGILWLCVUOEPM-VXGBXAGGSA-N 1 1 320.411 -1.645 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090372312 776120318 /nfs/dbraw/zinc/12/03/18/776120318.db2.gz QVWDKSHHGOZTAP-WCQYABFASA-N 1 1 312.370 -1.276 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373189 776120366 /nfs/dbraw/zinc/12/03/66/776120366.db2.gz GJZSXLXPQKPKFZ-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001090373501 776121680 /nfs/dbraw/zinc/12/16/80/776121680.db2.gz IPDIXZXGKNYQPO-NEPJUHHUSA-N 1 1 309.370 -1.457 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373192 776121802 /nfs/dbraw/zinc/12/18/02/776121802.db2.gz GJZSXLXPQKPKFZ-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001090373745 776121824 /nfs/dbraw/zinc/12/18/24/776121824.db2.gz KEZKPDAVGVBBIG-QWRGUYRKSA-N 1 1 313.358 -2.484 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099741803 776122118 /nfs/dbraw/zinc/12/21/18/776122118.db2.gz XJDPTEYTEBBARO-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO O=C(Cc1ccon1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099745014 776122471 /nfs/dbraw/zinc/12/24/71/776122471.db2.gz YNMCUBJVEVOWGB-CHWSQXEVSA-N 1 1 313.354 -1.223 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757921 776125649 /nfs/dbraw/zinc/12/56/49/776125649.db2.gz LVVNGKSJACYWNR-ZJUUUORDSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757921 776125655 /nfs/dbraw/zinc/12/56/55/776125655.db2.gz LVVNGKSJACYWNR-ZJUUUORDSA-N 1 1 300.359 -2.062 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757353 776125693 /nfs/dbraw/zinc/12/56/93/776125693.db2.gz DCCOBEOBOPQXGJ-RYUDHWBXSA-N 1 1 309.370 -1.611 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)ncn1 ZINC001099758039 776126277 /nfs/dbraw/zinc/12/62/77/776126277.db2.gz NOSVBWSGNXMSAA-NWDGAFQWSA-N 1 1 307.354 -1.288 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)ncn1 ZINC001099758039 776126287 /nfs/dbraw/zinc/12/62/87/776126287.db2.gz NOSVBWSGNXMSAA-NWDGAFQWSA-N 1 1 307.354 -1.288 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@@H]2O)c1=O ZINC001090376482 776126557 /nfs/dbraw/zinc/12/65/57/776126557.db2.gz XZOOYUGLYKIESO-STQMWFEESA-N 1 1 323.397 -1.067 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C[C@@H]2O)c1=O ZINC001090376480 776126591 /nfs/dbraw/zinc/12/65/91/776126591.db2.gz XZOOYUGLYKIESO-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCCF)C[C@@H]2O)c1=O ZINC001090376388 776126746 /nfs/dbraw/zinc/12/67/46/776126746.db2.gz WOINQMAFZBZIAK-QWRGUYRKSA-N 1 1 315.349 -1.507 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]n1 ZINC001090381869 776127792 /nfs/dbraw/zinc/12/77/92/776127792.db2.gz MSUTXGXCOIVOOF-ZYHUDNBSSA-N 1 1 322.369 -1.408 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001090377612 776128121 /nfs/dbraw/zinc/12/81/21/776128121.db2.gz KPIBPIZGZUNNBS-GXSJLCMTSA-N 1 1 321.337 -1.179 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC001090380883 776128575 /nfs/dbraw/zinc/12/85/75/776128575.db2.gz HFKDPOVKGVCPJC-CMPLNLGQSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001090380883 776128577 /nfs/dbraw/zinc/12/85/77/776128577.db2.gz HFKDPOVKGVCPJC-CMPLNLGQSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC001090380883 776128580 /nfs/dbraw/zinc/12/85/80/776128580.db2.gz HFKDPOVKGVCPJC-CMPLNLGQSA-N 1 1 305.342 -1.134 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001099760309 776128688 /nfs/dbraw/zinc/12/86/88/776128688.db2.gz GXZWZMNWBNQEGR-GHMZBOCLSA-N 1 1 312.370 -2.061 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001099760309 776128692 /nfs/dbraw/zinc/12/86/92/776128692.db2.gz GXZWZMNWBNQEGR-GHMZBOCLSA-N 1 1 312.370 -2.061 20 0 DAADMO O=C(CN1CCCCC1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090385238 776130144 /nfs/dbraw/zinc/13/01/44/776130144.db2.gz PTFGGCRWTSJAKD-CHWSQXEVSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]n1 ZINC001090385025 776130157 /nfs/dbraw/zinc/13/01/57/776130157.db2.gz CIRNMEMVKLBHSZ-MWLCHTKSSA-N 1 1 323.357 -2.005 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)no1 ZINC001090380429 776130317 /nfs/dbraw/zinc/13/03/17/776130317.db2.gz DIPAYHCIXCRTIQ-YPMHNXCESA-N 1 1 312.370 -1.107 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cn[nH]n1 ZINC001090385027 776130832 /nfs/dbraw/zinc/13/08/32/776130832.db2.gz CIRNMEMVKLBHSZ-ONGXEEELSA-N 1 1 323.357 -2.005 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090388041 776132013 /nfs/dbraw/zinc/13/20/13/776132013.db2.gz CBSSTKQKXFHLDT-RYUDHWBXSA-N 1 1 314.386 -1.665 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001099782662 776133055 /nfs/dbraw/zinc/13/30/55/776133055.db2.gz FCTUFPISGVNJKM-GHMZBOCLSA-N 1 1 313.358 -1.428 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001099782663 776133450 /nfs/dbraw/zinc/13/34/50/776133450.db2.gz FCTUFPISGVNJKM-MNOVXSKESA-N 1 1 313.358 -1.428 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090392932 776135352 /nfs/dbraw/zinc/13/53/52/776135352.db2.gz XUIWPPKYMQRRQT-QWRGUYRKSA-N 1 1 300.359 -2.055 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090392891 776135773 /nfs/dbraw/zinc/13/57/73/776135773.db2.gz XHHBHJFUMMDVQX-OLZOCXBDSA-N 1 1 309.366 -1.067 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001099782915 776136262 /nfs/dbraw/zinc/13/62/62/776136262.db2.gz IHHYGBAAGDQWDV-MNOVXSKESA-N 1 1 313.358 -1.428 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099791560 776136797 /nfs/dbraw/zinc/13/67/97/776136797.db2.gz HAHLTPSCBJMSRS-VHSXEESVSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099791560 776136806 /nfs/dbraw/zinc/13/68/06/776136806.db2.gz HAHLTPSCBJMSRS-VHSXEESVSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099791153 776136973 /nfs/dbraw/zinc/13/69/73/776136973.db2.gz AMPAUZRLPWNRFR-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001099791153 776136978 /nfs/dbraw/zinc/13/69/78/776136978.db2.gz AMPAUZRLPWNRFR-WDEREUQCSA-N 1 1 314.386 -1.802 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2c1OCCC2 ZINC001090395689 776137096 /nfs/dbraw/zinc/13/70/96/776137096.db2.gz FHHISFQDLJMTAG-RYUDHWBXSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cnn2c1OCCC2 ZINC001090395690 776137116 /nfs/dbraw/zinc/13/71/16/776137116.db2.gz FHHISFQDLJMTAG-VXGBXAGGSA-N 1 1 310.354 -1.177 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099791206 776137660 /nfs/dbraw/zinc/13/76/60/776137660.db2.gz AXTZCKQERQIGEQ-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099791206 776137670 /nfs/dbraw/zinc/13/76/70/776137670.db2.gz AXTZCKQERQIGEQ-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099791616 776138312 /nfs/dbraw/zinc/13/83/12/776138312.db2.gz HUDRDAZSJBTVOT-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@@H](O)C1 ZINC001083938332 776139312 /nfs/dbraw/zinc/13/93/12/776139312.db2.gz ANJNDSQBBDQQES-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@@H]3O)n2n1 ZINC001083948760 776140548 /nfs/dbraw/zinc/14/05/48/776140548.db2.gz FLFWNTYWGKCYIW-PWSUYJOCSA-N 1 1 320.353 -1.410 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953594 776140880 /nfs/dbraw/zinc/14/08/80/776140880.db2.gz YIOPVHOAYXHKRC-UPJWGTAASA-N 1 1 322.413 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)C1 ZINC001083953098 776142036 /nfs/dbraw/zinc/14/20/36/776142036.db2.gz HBFXJJKKRBTWLC-BNOWGMLFSA-N 1 1 324.425 -1.232 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@@H]2O)C1 ZINC001083953417 776142101 /nfs/dbraw/zinc/14/21/01/776142101.db2.gz RXVGYQBPNIPEMX-MCIONIFRSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953595 776142148 /nfs/dbraw/zinc/14/21/48/776142148.db2.gz YIOPVHOAYXHKRC-XQQFMLRXSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](O)C1 ZINC001083948130 776142370 /nfs/dbraw/zinc/14/23/70/776142370.db2.gz PEURGBSFNWTIIV-IEBDPFPHSA-N 1 1 321.337 -1.409 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083997606 776144618 /nfs/dbraw/zinc/14/46/18/776144618.db2.gz FJXQNCYKNANZKS-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083997606 776144621 /nfs/dbraw/zinc/14/46/21/776144621.db2.gz FJXQNCYKNANZKS-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001083954334 776144724 /nfs/dbraw/zinc/14/47/24/776144724.db2.gz VERPEJRYIRQCDC-BNOWGMLFSA-N 1 1 322.413 -1.182 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC001083967724 776146267 /nfs/dbraw/zinc/14/62/67/776146267.db2.gz WEOMYLIHXMOGPO-NEPJUHHUSA-N 1 1 319.317 -1.663 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC001083967724 776146270 /nfs/dbraw/zinc/14/62/70/776146270.db2.gz WEOMYLIHXMOGPO-NEPJUHHUSA-N 1 1 319.317 -1.663 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083971740 776148056 /nfs/dbraw/zinc/14/80/56/776148056.db2.gz XXUIKAPGGBJDOK-AXFHLTTASA-N 1 1 308.342 -2.282 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083971740 776148060 /nfs/dbraw/zinc/14/80/60/776148060.db2.gz XXUIKAPGGBJDOK-AXFHLTTASA-N 1 1 308.342 -2.282 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1COc2ccccc2O1 ZINC001084023051 776150028 /nfs/dbraw/zinc/15/00/28/776150028.db2.gz BTSJZWDUZLNNFF-UHIISALHSA-N 1 1 308.334 -1.020 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1COc2ccccc2O1 ZINC001084023051 776150033 /nfs/dbraw/zinc/15/00/33/776150033.db2.gz BTSJZWDUZLNNFF-UHIISALHSA-N 1 1 308.334 -1.020 20 0 DAADMO NC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001084027593 776150113 /nfs/dbraw/zinc/15/01/13/776150113.db2.gz OOCDJSLKPMFAFK-NEPJUHHUSA-N 1 1 308.338 -1.056 20 0 DAADMO NC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001084027593 776150115 /nfs/dbraw/zinc/15/01/15/776150115.db2.gz OOCDJSLKPMFAFK-NEPJUHHUSA-N 1 1 308.338 -1.056 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1)OC ZINC001084029554 776150185 /nfs/dbraw/zinc/15/01/85/776150185.db2.gz GWPCKAIHIGIGIR-RTXFEEFZSA-N 1 1 324.381 -1.020 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084040785 776150301 /nfs/dbraw/zinc/15/03/01/776150301.db2.gz ZTDSRUQZZDCSTD-MXWKQRLJSA-N 1 1 313.354 -1.668 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)ccc1=O ZINC001084030333 776150353 /nfs/dbraw/zinc/15/03/53/776150353.db2.gz MIPCXWCDZUVLMD-UHTWSYAYSA-N 1 1 322.365 -1.408 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1)OC ZINC001084029555 776150384 /nfs/dbraw/zinc/15/03/84/776150384.db2.gz GWPCKAIHIGIGIR-UHTWSYAYSA-N 1 1 324.381 -1.020 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1=O ZINC001084035780 776151904 /nfs/dbraw/zinc/15/19/04/776151904.db2.gz BSDZXCBMYYCIII-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001084033941 776151959 /nfs/dbraw/zinc/15/19/59/776151959.db2.gz NDYHUJWPIRBUOM-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084035213 776152024 /nfs/dbraw/zinc/15/20/24/776152024.db2.gz HOPNSHRNCCLWCT-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001084033076 776152049 /nfs/dbraw/zinc/15/20/49/776152049.db2.gz FLDYHKYSNHNSIV-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001084033076 776152053 /nfs/dbraw/zinc/15/20/53/776152053.db2.gz FLDYHKYSNHNSIV-NEPJUHHUSA-N 1 1 305.342 -1.664 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084038364 776152859 /nfs/dbraw/zinc/15/28/59/776152859.db2.gz FRCDNLPCPLZZRL-BDAKNGLRSA-N 1 1 311.317 -1.290 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001084038409 776153306 /nfs/dbraw/zinc/15/33/06/776153306.db2.gz HZSAQUHNYWNFLK-BBBLOLIVSA-N 1 1 323.353 -1.615 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084035981 776153426 /nfs/dbraw/zinc/15/34/26/776153426.db2.gz LAHAHCGNKVPICD-BBBLOLIVSA-N 1 1 314.342 -2.578 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1=O ZINC001084036078 776153683 /nfs/dbraw/zinc/15/36/83/776153683.db2.gz PPNCYEKSKHBBBJ-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)c(=O)n1C ZINC001084013287 776154924 /nfs/dbraw/zinc/15/49/24/776154924.db2.gz YUPILVVVDMXKCR-NEPJUHHUSA-N 1 1 311.386 -1.292 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC001084075202 776155618 /nfs/dbraw/zinc/15/56/18/776155618.db2.gz ABNXLEVLXCBQSZ-OLZOCXBDSA-N 1 1 307.350 -1.187 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC001084075202 776155639 /nfs/dbraw/zinc/15/56/39/776155639.db2.gz ABNXLEVLXCBQSZ-OLZOCXBDSA-N 1 1 307.350 -1.187 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084078864 776157733 /nfs/dbraw/zinc/15/77/33/776157733.db2.gz LEBWHBZFMSOKES-OLZOCXBDSA-N 1 1 321.381 -1.256 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001084078864 776157734 /nfs/dbraw/zinc/15/77/34/776157734.db2.gz LEBWHBZFMSOKES-OLZOCXBDSA-N 1 1 321.381 -1.256 20 0 DAADMO CCn1ncc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052601 776158826 /nfs/dbraw/zinc/15/88/26/776158826.db2.gz ANHKEOOKJGUACX-YUTCNCBUSA-N 1 1 322.413 -1.089 20 0 DAADMO CCn1ncc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052600 776159180 /nfs/dbraw/zinc/15/91/80/776159180.db2.gz ANHKEOOKJGUACX-BNOWGMLFSA-N 1 1 322.413 -1.089 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052819 776159451 /nfs/dbraw/zinc/15/94/51/776159451.db2.gz INOZLGCRIXTUHU-MXWKQRLJSA-N 1 1 309.374 -2.177 20 0 DAADMO CCn1nncc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052761 776159477 /nfs/dbraw/zinc/15/94/77/776159477.db2.gz GTDJIIDASSWKIY-YUTCNCBUSA-N 1 1 322.413 -1.089 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001084053991 776160226 /nfs/dbraw/zinc/16/02/26/776160226.db2.gz SCBUMCONNABHRZ-UHTWSYAYSA-N 1 1 308.386 -1.572 20 0 DAADMO Cc1nonc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053246 776161255 /nfs/dbraw/zinc/16/12/55/776161255.db2.gz XBHZNBCTABHNBI-RTXFEEFZSA-N 1 1 309.370 -1.009 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001084054410 776161483 /nfs/dbraw/zinc/16/14/83/776161483.db2.gz DSYDAFCGWXGKFX-NEPJUHHUSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)n1 ZINC001084054410 776161488 /nfs/dbraw/zinc/16/14/88/776161488.db2.gz DSYDAFCGWXGKFX-NEPJUHHUSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001084056132 776161511 /nfs/dbraw/zinc/16/15/11/776161511.db2.gz SWJKCBRXCANMBI-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)n1 ZINC001084056132 776161516 /nfs/dbraw/zinc/16/15/16/776161516.db2.gz SWJKCBRXCANMBI-OLZOCXBDSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053160 776161686 /nfs/dbraw/zinc/16/16/86/776161686.db2.gz URYNMMYYDDXKSS-UHTWSYAYSA-N 1 1 308.386 -1.572 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001084067868 776162395 /nfs/dbraw/zinc/16/23/95/776162395.db2.gz CMASFLFRCAAFMG-BBBLOLIVSA-N 1 1 307.372 -2.778 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067521 776162500 /nfs/dbraw/zinc/16/25/00/776162500.db2.gz UTYXHQOWKXACBT-AXTRIDKLSA-N 1 1 308.338 -1.664 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001084059350 776162626 /nfs/dbraw/zinc/16/26/26/776162626.db2.gz DVGGEWCOMPTOHR-OLZOCXBDSA-N 1 1 321.381 -1.415 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)c[nH]1 ZINC001084062163 776162841 /nfs/dbraw/zinc/16/28/41/776162841.db2.gz FWMOGYLBMVTJBT-BIMULSAOSA-N 1 1 322.365 -1.075 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001084059753 776162912 /nfs/dbraw/zinc/16/29/12/776162912.db2.gz XEYJNUZFZGREQU-WOPDTQHZSA-N 1 1 307.354 -1.759 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084073312 776164378 /nfs/dbraw/zinc/16/43/78/776164378.db2.gz QGTONTUICPMZJQ-AGIUHOORSA-N 1 1 315.370 -2.223 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001084068340 776164865 /nfs/dbraw/zinc/16/48/65/776164865.db2.gz WDQIJWDNOLNIQD-AEJSXWLSSA-N 1 1 309.363 -1.801 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084073313 776165255 /nfs/dbraw/zinc/16/52/55/776165255.db2.gz QGTONTUICPMZJQ-UPJWGTAASA-N 1 1 315.370 -2.223 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@@H](O)C1 ZINC001084073526 776165372 /nfs/dbraw/zinc/16/53/72/776165372.db2.gz XUBUAKJUPNXRAU-AGIUHOORSA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112660 776165414 /nfs/dbraw/zinc/16/54/14/776165414.db2.gz CIYAYZAPZPZDOV-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)nn1 ZINC001084090194 776167966 /nfs/dbraw/zinc/16/79/66/776167966.db2.gz OKHYOWYJKLNVML-KOLCDFICSA-N 1 1 308.342 -2.052 20 0 DAADMO CC(=O)NC1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001084121723 776168071 /nfs/dbraw/zinc/16/80/71/776168071.db2.gz ROYZWJHJPGLYBZ-PQAZSJQKSA-N 1 1 313.398 -1.165 20 0 DAADMO CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084085324 776168084 /nfs/dbraw/zinc/16/80/84/776168084.db2.gz REYQHHXAJASSJK-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084085324 776168088 /nfs/dbraw/zinc/16/80/88/776168088.db2.gz REYQHHXAJASSJK-AGIUHOORSA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090032 776168467 /nfs/dbraw/zinc/16/84/67/776168467.db2.gz HEWTWZSOWBGKNA-FOGDFJRCSA-N 1 1 324.385 -1.416 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084118924 776168542 /nfs/dbraw/zinc/16/85/42/776168542.db2.gz UBRSFDRETHUZMK-BDAKNGLRSA-N 1 1 312.326 -1.739 20 0 DAADMO COc1ncnc(OC)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084118924 776168548 /nfs/dbraw/zinc/16/85/48/776168548.db2.gz UBRSFDRETHUZMK-BDAKNGLRSA-N 1 1 312.326 -1.739 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)nn1 ZINC001084090048 776168564 /nfs/dbraw/zinc/16/85/64/776168564.db2.gz HPZLVRKVIYIRRP-SCZZXKLOSA-N 1 1 314.321 -2.102 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084103009 776169548 /nfs/dbraw/zinc/16/95/48/776169548.db2.gz YOGVOZJIIQDWRY-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001084103009 776169554 /nfs/dbraw/zinc/16/95/54/776169554.db2.gz YOGVOZJIIQDWRY-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)n(C)c1=O ZINC001084097060 776169612 /nfs/dbraw/zinc/16/96/12/776169612.db2.gz BBPLMDFYQXAMMB-WZRBSPASSA-N 1 1 324.381 -1.465 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090307 776169887 /nfs/dbraw/zinc/16/98/87/776169887.db2.gz UFCJEZZIBZZBFC-KOLCDFICSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090248 776169933 /nfs/dbraw/zinc/16/99/33/776169933.db2.gz QUOIREZFGZATPU-XKSSXDPKSA-N 1 1 312.330 -3.081 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090326 776170049 /nfs/dbraw/zinc/17/00/49/776170049.db2.gz UWSNQVYDTSGNEJ-PWSUYJOCSA-N 1 1 322.369 -1.496 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001084090326 776170051 /nfs/dbraw/zinc/17/00/51/776170051.db2.gz UWSNQVYDTSGNEJ-PWSUYJOCSA-N 1 1 322.369 -1.496 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](O)C1 ZINC001084106465 776170187 /nfs/dbraw/zinc/17/01/87/776170187.db2.gz YHBNCEXFBLIDLY-HONMWMINSA-N 1 1 321.377 -1.130 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099796558 776171240 /nfs/dbraw/zinc/17/12/40/776171240.db2.gz FZHWQFNKCKYNGH-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099796558 776171242 /nfs/dbraw/zinc/17/12/42/776171242.db2.gz FZHWQFNKCKYNGH-QWRGUYRKSA-N 1 1 314.386 -1.848 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001084127741 776171762 /nfs/dbraw/zinc/17/17/62/776171762.db2.gz WXZQNJBJWYMELI-XQQFMLRXSA-N 1 1 301.387 -1.485 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177208 776172119 /nfs/dbraw/zinc/17/21/19/776172119.db2.gz ZKIFGAIIHZBDAH-GHMZBOCLSA-N 1 1 307.358 -1.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084177208 776172126 /nfs/dbraw/zinc/17/21/26/776172126.db2.gz ZKIFGAIIHZBDAH-GHMZBOCLSA-N 1 1 307.358 -1.706 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084318197 776172966 /nfs/dbraw/zinc/17/29/66/776172966.db2.gz NCAVPEACPGKSMW-IJLUTSLNSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084318197 776172970 /nfs/dbraw/zinc/17/29/70/776172970.db2.gz NCAVPEACPGKSMW-IJLUTSLNSA-N 1 1 322.365 -1.140 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001084292855 776172992 /nfs/dbraw/zinc/17/29/92/776172992.db2.gz QWIGUFPQTDBLRA-MCIONIFRSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001084292855 776172997 /nfs/dbraw/zinc/17/29/97/776172997.db2.gz QWIGUFPQTDBLRA-MCIONIFRSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084313333 776173635 /nfs/dbraw/zinc/17/36/35/776173635.db2.gz ZCANSWJUNMXPRG-IJLUTSLNSA-N 1 1 320.353 -1.081 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084243842 776173681 /nfs/dbraw/zinc/17/36/81/776173681.db2.gz YYLPREATKHTFLO-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084318196 776173796 /nfs/dbraw/zinc/17/37/96/776173796.db2.gz NCAVPEACPGKSMW-GRYCIOLGSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084318196 776173802 /nfs/dbraw/zinc/17/38/02/776173802.db2.gz NCAVPEACPGKSMW-GRYCIOLGSA-N 1 1 322.365 -1.140 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294244 776173837 /nfs/dbraw/zinc/17/38/37/776173837.db2.gz GNKMGUNHSFYJPM-OUAUKWLOSA-N 1 1 322.369 -1.220 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294244 776173843 /nfs/dbraw/zinc/17/38/43/776173843.db2.gz GNKMGUNHSFYJPM-OUAUKWLOSA-N 1 1 322.369 -1.220 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374636 776174669 /nfs/dbraw/zinc/17/46/69/776174669.db2.gz CMVBABJBADNWCO-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001084374636 776174676 /nfs/dbraw/zinc/17/46/76/776174676.db2.gz CMVBABJBADNWCO-IJLUTSLNSA-N 1 1 306.370 -1.055 20 0 DAADMO O=C(Cn1nccn1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084376119 776175285 /nfs/dbraw/zinc/17/52/85/776175285.db2.gz KXOYVBQRWZAUFY-IJLUTSLNSA-N 1 1 304.354 -1.301 20 0 DAADMO O=C(Cn1nccn1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084376119 776175289 /nfs/dbraw/zinc/17/52/89/776175289.db2.gz KXOYVBQRWZAUFY-IJLUTSLNSA-N 1 1 304.354 -1.301 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348142 776175727 /nfs/dbraw/zinc/17/57/27/776175727.db2.gz SDSYVFAFGOACRK-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348142 776175732 /nfs/dbraw/zinc/17/57/32/776175732.db2.gz SDSYVFAFGOACRK-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)n1 ZINC001084356594 776176092 /nfs/dbraw/zinc/17/60/92/776176092.db2.gz QJODKHSSJXKMKG-NXEZZACHSA-N 1 1 308.342 -2.098 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001084420264 776176167 /nfs/dbraw/zinc/17/61/67/776176167.db2.gz ZHHCSENTYCLDFU-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC001084420264 776176171 /nfs/dbraw/zinc/17/61/71/776176171.db2.gz ZHHCSENTYCLDFU-CKYFFXLPSA-N 1 1 319.365 -1.200 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001084463816 776177795 /nfs/dbraw/zinc/17/77/95/776177795.db2.gz GRZZDEUQHWRVDK-MGPQQGTHSA-N 1 1 324.425 -1.326 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c1=O ZINC001084570510 776179841 /nfs/dbraw/zinc/17/98/41/776179841.db2.gz LTXUIVKCJAHKSZ-MWLCHTKSSA-N 1 1 308.338 -1.376 20 0 DAADMO CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC001084540793 776180665 /nfs/dbraw/zinc/18/06/65/776180665.db2.gz ZMHOBVQOSMGJGU-OUAUKWLOSA-N 1 1 315.395 -1.548 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC001084540793 776180670 /nfs/dbraw/zinc/18/06/70/776180670.db2.gz ZMHOBVQOSMGJGU-OUAUKWLOSA-N 1 1 315.395 -1.548 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)n1 ZINC001084588058 776181652 /nfs/dbraw/zinc/18/16/52/776181652.db2.gz XDMYULXPFLXFMN-GHMZBOCLSA-N 1 1 317.357 -1.352 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)n1 ZINC001084588058 776181660 /nfs/dbraw/zinc/18/16/60/776181660.db2.gz XDMYULXPFLXFMN-GHMZBOCLSA-N 1 1 317.357 -1.352 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084621465 776181993 /nfs/dbraw/zinc/18/19/93/776181993.db2.gz NVJRHCOJJNWXEL-GRYCIOLGSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1)N1CCC1 ZINC001084621465 776182001 /nfs/dbraw/zinc/18/20/01/776182001.db2.gz NVJRHCOJJNWXEL-GRYCIOLGSA-N 1 1 321.381 -1.567 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084615530 776182407 /nfs/dbraw/zinc/18/24/07/776182407.db2.gz AORDZWLYXRCIKK-ADEWGFFLSA-N 1 1 317.349 -1.195 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084615530 776182410 /nfs/dbraw/zinc/18/24/10/776182410.db2.gz AORDZWLYXRCIKK-ADEWGFFLSA-N 1 1 317.349 -1.195 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001084689754 776185463 /nfs/dbraw/zinc/18/54/63/776185463.db2.gz RAPNIYQEWGYZHJ-OUAUKWLOSA-N 1 1 310.354 -1.236 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084725066 776185634 /nfs/dbraw/zinc/18/56/34/776185634.db2.gz HTJCIQIHOYJHGK-OPRDCNLKSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 ZINC001084725066 776185641 /nfs/dbraw/zinc/18/56/41/776185641.db2.gz HTJCIQIHOYJHGK-OPRDCNLKSA-N 1 1 323.353 -2.055 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737884 776185971 /nfs/dbraw/zinc/18/59/71/776185971.db2.gz GRGJXOJPAYDFDH-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737884 776185973 /nfs/dbraw/zinc/18/59/73/776185973.db2.gz GRGJXOJPAYDFDH-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084765955 776187409 /nfs/dbraw/zinc/18/74/09/776187409.db2.gz AFRDLIFBVCVAPL-GMTAPVOTSA-N 1 1 304.354 -1.232 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084765955 776187411 /nfs/dbraw/zinc/18/74/11/776187411.db2.gz AFRDLIFBVCVAPL-GMTAPVOTSA-N 1 1 304.354 -1.232 20 0 DAADMO O=C(CC1(O)CCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099823882 776187441 /nfs/dbraw/zinc/18/74/41/776187441.db2.gz LIGHZXSOUINATC-QWHCGFSZSA-N 1 1 316.398 -1.148 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084757087 776187787 /nfs/dbraw/zinc/18/77/87/776187787.db2.gz CXSMDQYWRGUOAK-GHMZBOCLSA-N 1 1 324.381 -1.158 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090401729 776187866 /nfs/dbraw/zinc/18/78/66/776187866.db2.gz CUEIDCQVWIKBSJ-QWRGUYRKSA-N 1 1 310.354 -1.090 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084819725 776189829 /nfs/dbraw/zinc/18/98/29/776189829.db2.gz OFFUBVYENMKNNE-GRYCIOLGSA-N 1 1 324.381 -1.110 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 ZINC001099832744 776189865 /nfs/dbraw/zinc/18/98/65/776189865.db2.gz LUXCTJCOMRTNJD-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001099832746 776190046 /nfs/dbraw/zinc/19/00/46/776190046.db2.gz LUXCTJCOMRTNJD-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 ZINC001084818727 776190061 /nfs/dbraw/zinc/19/00/61/776190061.db2.gz PRTZFBKXEOFTMS-IJLUTSLNSA-N 1 1 324.381 -1.206 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084819550 776190215 /nfs/dbraw/zinc/19/02/15/776190215.db2.gz GQDMADCOYNKQIA-OUAUKWLOSA-N 1 1 310.354 -1.500 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001099832745 776190222 /nfs/dbraw/zinc/19/02/22/776190222.db2.gz LUXCTJCOMRTNJD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001084820421 776190446 /nfs/dbraw/zinc/19/04/46/776190446.db2.gz WNFBRLWDCDYAOE-HBNTYKKESA-N 1 1 322.365 -1.458 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 ZINC001084820421 776190452 /nfs/dbraw/zinc/19/04/52/776190452.db2.gz WNFBRLWDCDYAOE-HBNTYKKESA-N 1 1 322.365 -1.458 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)nn1 ZINC001084852562 776191518 /nfs/dbraw/zinc/19/15/18/776191518.db2.gz FLHYBTXBECUTDG-ZYHUDNBSSA-N 1 1 322.369 -1.708 20 0 DAADMO COCCCC[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099838394 776191820 /nfs/dbraw/zinc/19/18/20/776191820.db2.gz MVFZKOMRNUBQNV-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099838568 776191961 /nfs/dbraw/zinc/19/19/61/776191961.db2.gz OYHYNFUNBQLCIP-GHMZBOCLSA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001099838263 776192267 /nfs/dbraw/zinc/19/22/67/776192267.db2.gz KVNGBODUKUSRNG-STQMWFEESA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001084857356 776192714 /nfs/dbraw/zinc/19/27/14/776192714.db2.gz YAARJZZQUIAYJF-GMTAPVOTSA-N 1 1 321.381 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)[C@@H]2C1 ZINC001084857356 776192717 /nfs/dbraw/zinc/19/27/17/776192717.db2.gz YAARJZZQUIAYJF-GMTAPVOTSA-N 1 1 321.381 -1.256 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084925035 776193561 /nfs/dbraw/zinc/19/35/61/776193561.db2.gz HFGVPFBZSCWHDI-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084925035 776193567 /nfs/dbraw/zinc/19/35/67/776193567.db2.gz HFGVPFBZSCWHDI-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)C1 ZINC001084911353 776193901 /nfs/dbraw/zinc/19/39/01/776193901.db2.gz YDMRSMONNZUIDP-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)C1 ZINC001084911353 776193903 /nfs/dbraw/zinc/19/39/03/776193903.db2.gz YDMRSMONNZUIDP-AGIUHOORSA-N 1 1 310.398 -1.275 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]21 ZINC001084956582 776194469 /nfs/dbraw/zinc/19/44/69/776194469.db2.gz SRXAVQQZKLZHQK-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C[C@@H]21 ZINC001084956582 776194478 /nfs/dbraw/zinc/19/44/78/776194478.db2.gz SRXAVQQZKLZHQK-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084961109 776196329 /nfs/dbraw/zinc/19/63/29/776196329.db2.gz LGNZKGTWIZJQPL-VWYCJHECSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)S(C)(=O)=O ZINC001099861015 776196614 /nfs/dbraw/zinc/19/66/14/776196614.db2.gz LKXHXUHLVHSQDU-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099861402 776196668 /nfs/dbraw/zinc/19/66/68/776196668.db2.gz RSQQYMQQGFWJJQ-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099861402 776196671 /nfs/dbraw/zinc/19/66/71/776196671.db2.gz RSQQYMQQGFWJJQ-VHSXEESVSA-N 1 1 311.379 -1.553 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCOCCO ZINC001230916673 776198475 /nfs/dbraw/zinc/19/84/75/776198475.db2.gz PWLVYHBNSGABPR-NSHDSACASA-N 1 1 303.359 -1.116 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]21 ZINC001085006527 776198490 /nfs/dbraw/zinc/19/84/90/776198490.db2.gz FECVSAOAXGKOGE-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@@H]21 ZINC001085006527 776198492 /nfs/dbraw/zinc/19/84/92/776198492.db2.gz FECVSAOAXGKOGE-UTUOFQBUSA-N 1 1 323.397 -1.321 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099861779 776198495 /nfs/dbraw/zinc/19/84/95/776198495.db2.gz YSGNBUNJHKJVBA-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085021831 776198531 /nfs/dbraw/zinc/19/85/31/776198531.db2.gz FMRMIMJVDCPCIC-AGIUHOORSA-N 1 1 321.381 -1.348 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)O1 ZINC001085031201 776199834 /nfs/dbraw/zinc/19/98/34/776199834.db2.gz MDKDHQLHUJAKLH-MROQNXINSA-N 1 1 311.382 -1.066 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085045397 776199995 /nfs/dbraw/zinc/19/99/95/776199995.db2.gz MLRYGVSZIREWBO-VWYCJHECSA-N 1 1 310.354 -1.500 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 ZINC001085045404 776200014 /nfs/dbraw/zinc/20/00/14/776200014.db2.gz NCSJKUXWSGIMLS-UTLUCORTSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 ZINC001085045404 776200017 /nfs/dbraw/zinc/20/00/17/776200017.db2.gz NCSJKUXWSGIMLS-UTLUCORTSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC001085031272 776200060 /nfs/dbraw/zinc/20/00/60/776200060.db2.gz PVIYSIHSDKZJDM-NOOOWODRSA-N 1 1 324.381 -1.573 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC001085031272 776200063 /nfs/dbraw/zinc/20/00/63/776200063.db2.gz PVIYSIHSDKZJDM-NOOOWODRSA-N 1 1 324.381 -1.573 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001085128308 776201300 /nfs/dbraw/zinc/20/13/00/776201300.db2.gz LGEHQPKQZAHYJZ-NXEZZACHSA-N 1 1 320.361 -1.586 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090400740 776201388 /nfs/dbraw/zinc/20/13/88/776201388.db2.gz YALDPYKFRGNTFA-AAEUAGOBSA-N 1 1 324.381 -1.329 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001154601657 776203727 /nfs/dbraw/zinc/20/37/27/776203727.db2.gz CYOPVULBFIYBJJ-WOPDTQHZSA-N 1 1 301.387 -1.044 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001085296251 776206124 /nfs/dbraw/zinc/20/61/24/776206124.db2.gz VJKRKYGUMXJUTC-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCc1nc[nH]n1 ZINC001273319002 776207319 /nfs/dbraw/zinc/20/73/19/776207319.db2.gz XGOWCAKKBAMQOA-JTQLQIEISA-N 1 1 322.369 -1.019 20 0 DAADMO CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCc1nc[nH]n1 ZINC001273319003 776207379 /nfs/dbraw/zinc/20/73/79/776207379.db2.gz XGOWCAKKBAMQOA-SNVBAGLBSA-N 1 1 322.369 -1.019 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973240 776207859 /nfs/dbraw/zinc/20/78/59/776207859.db2.gz AGXTZSBYQAEDNM-RKDXNWHRSA-N 1 1 322.387 -3.038 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973240 776207863 /nfs/dbraw/zinc/20/78/63/776207863.db2.gz AGXTZSBYQAEDNM-RKDXNWHRSA-N 1 1 322.387 -3.038 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)O)c(=O)n1C ZINC001098309067 776209089 /nfs/dbraw/zinc/20/90/89/776209089.db2.gz ZKQLRULVQAOVJY-SQNXGDPESA-N 1 1 323.397 -1.007 20 0 DAADMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1)S(C)(=O)=O ZINC001099974943 776209504 /nfs/dbraw/zinc/20/95/04/776209504.db2.gz WXDSHCUDKJDVDC-RKDXNWHRSA-N 1 1 322.387 -3.086 20 0 DAADMO CN(CC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1)S(C)(=O)=O ZINC001099974943 776209509 /nfs/dbraw/zinc/20/95/09/776209509.db2.gz WXDSHCUDKJDVDC-RKDXNWHRSA-N 1 1 322.387 -3.086 20 0 DAADMO O=C(Cn1nccn1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098379383 776209829 /nfs/dbraw/zinc/20/98/29/776209829.db2.gz YSTDOJBUBFXBBV-UHFFFAOYSA-N 1 1 311.386 -1.054 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099981801 776211896 /nfs/dbraw/zinc/21/18/96/776211896.db2.gz SZSPCNFUZIBEIB-UWVGGRQHSA-N 1 1 309.388 -2.401 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531555 776212752 /nfs/dbraw/zinc/21/27/52/776212752.db2.gz VTFIIVAKPNTKPC-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnn(C)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531555 776212755 /nfs/dbraw/zinc/21/27/55/776212755.db2.gz VTFIIVAKPNTKPC-VXGBXAGGSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085530648 776212786 /nfs/dbraw/zinc/21/27/86/776212786.db2.gz BZWFJTNMHLVVJX-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C[C@H]1CCN1Cc1nnnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085530648 776212791 /nfs/dbraw/zinc/21/27/91/776212791.db2.gz BZWFJTNMHLVVJX-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CNC(=O)NCC(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098385855 776213576 /nfs/dbraw/zinc/21/35/76/776213576.db2.gz GJCRHZRBDWKPAW-LLVKDONJSA-N 1 1 316.402 -1.419 20 0 DAADMO C/C(=C\C(=O)NC[C@@]1(CO)COCC[NH2+]1)CN1CCOCC1 ZINC000828697042 776214418 /nfs/dbraw/zinc/21/44/18/776214418.db2.gz DBXQUZTZICGFOM-XETPBLJFSA-N 1 1 313.398 -1.268 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2CO)c(=O)n(C)c1=O ZINC000828716151 776214744 /nfs/dbraw/zinc/21/47/44/776214744.db2.gz KXAYGWFBNBIMJU-ITKZLYELSA-N 1 1 322.365 -1.768 20 0 DAADMO Cn1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2CO)c(=O)n(C)c1=O ZINC000828716151 776214752 /nfs/dbraw/zinc/21/47/52/776214752.db2.gz KXAYGWFBNBIMJU-ITKZLYELSA-N 1 1 322.365 -1.768 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1COC(=O)N1 ZINC001085570312 776215273 /nfs/dbraw/zinc/21/52/73/776215273.db2.gz GZYCGMCYMRIYRE-GHMZBOCLSA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1COC(=O)N1 ZINC001085570312 776215279 /nfs/dbraw/zinc/21/52/79/776215279.db2.gz GZYCGMCYMRIYRE-GHMZBOCLSA-N 1 1 308.342 -1.081 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cnnn1C ZINC001085577580 776217112 /nfs/dbraw/zinc/21/71/12/776217112.db2.gz QBXGSSSKNNTGCK-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cnnn1C ZINC001085577580 776217120 /nfs/dbraw/zinc/21/71/20/776217120.db2.gz QBXGSSSKNNTGCK-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cnnn1C ZINC001085577581 776217231 /nfs/dbraw/zinc/21/72/31/776217231.db2.gz QBXGSSSKNNTGCK-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cnnn1C ZINC001085577581 776217240 /nfs/dbraw/zinc/21/72/40/776217240.db2.gz QBXGSSSKNNTGCK-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)nn1-c1nc[nH]n1 ZINC001085752406 776219709 /nfs/dbraw/zinc/21/97/09/776219709.db2.gz FGPWSINPYMIQGP-JTQLQIEISA-N 1 1 320.357 -1.168 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001085752406 776219718 /nfs/dbraw/zinc/21/97/18/776219718.db2.gz FGPWSINPYMIQGP-JTQLQIEISA-N 1 1 320.357 -1.168 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090402745 776220221 /nfs/dbraw/zinc/22/02/21/776220221.db2.gz IRNUCGRQLYMLNT-QWRGUYRKSA-N 1 1 310.354 -1.091 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001085737739 776221027 /nfs/dbraw/zinc/22/10/27/776221027.db2.gz WFCWFEHNNGAWER-JQWIXIFHSA-N 1 1 307.354 -1.110 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001085761595 776222338 /nfs/dbraw/zinc/22/23/38/776222338.db2.gz OGEFLDVCPRZZLG-VXGBXAGGSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001085761595 776222345 /nfs/dbraw/zinc/22/23/45/776222345.db2.gz OGEFLDVCPRZZLG-VXGBXAGGSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001085763246 776222645 /nfs/dbraw/zinc/22/26/45/776222645.db2.gz YLOXDYOPLMAXKB-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001085763246 776222652 /nfs/dbraw/zinc/22/26/52/776222652.db2.gz YLOXDYOPLMAXKB-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001085772481 776223783 /nfs/dbraw/zinc/22/37/83/776223783.db2.gz YCGQSZAEQXAWME-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)c1nnn(C)n1 ZINC001085772481 776223792 /nfs/dbraw/zinc/22/37/92/776223792.db2.gz YCGQSZAEQXAWME-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)[C@@H]1CCNC1=O ZINC001085763877 776224149 /nfs/dbraw/zinc/22/41/49/776224149.db2.gz LNZYSWGPZBOEEK-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)[C@@H]1CCNC1=O ZINC001085763877 776224152 /nfs/dbraw/zinc/22/41/52/776224152.db2.gz LNZYSWGPZBOEEK-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)c1nnn(C)n1 ZINC001085772242 776224253 /nfs/dbraw/zinc/22/42/53/776224253.db2.gz SRKATDKIUFSLLX-JTQLQIEISA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)c1nnn(C)n1 ZINC001085772242 776224257 /nfs/dbraw/zinc/22/42/57/776224257.db2.gz SRKATDKIUFSLLX-JTQLQIEISA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CN(C(=O)C[NH+]3CCC3)C[C@H](C1)O2 ZINC001273362486 776226317 /nfs/dbraw/zinc/22/63/17/776226317.db2.gz CDVHJJVKPSMTEV-BETUJISGSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085794149 776226579 /nfs/dbraw/zinc/22/65/79/776226579.db2.gz UVXKHLQKDRVRPV-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001085794149 776226585 /nfs/dbraw/zinc/22/65/85/776226585.db2.gz UVXKHLQKDRVRPV-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085849744 776227409 /nfs/dbraw/zinc/22/74/09/776227409.db2.gz FZJSGKWTMIQXDA-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO CN(C)C(=O)CN1CCO[C@H]2CN(C(=O)C[NH+]3CCC3)C[C@@H]21 ZINC001273363868 776227696 /nfs/dbraw/zinc/22/76/96/776227696.db2.gz QXKQSNDSGHYMIL-STQMWFEESA-N 1 1 310.398 -1.308 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085851595 776227778 /nfs/dbraw/zinc/22/77/78/776227778.db2.gz ZXXLSNHXWTXLMG-MNOVXSKESA-N 1 1 324.381 -1.389 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108217742 776228919 /nfs/dbraw/zinc/22/89/19/776228919.db2.gz XCFXSZLBNZYELB-YWPYICTPSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108217742 776228926 /nfs/dbraw/zinc/22/89/26/776228926.db2.gz XCFXSZLBNZYELB-YWPYICTPSA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001085868716 776228993 /nfs/dbraw/zinc/22/89/93/776228993.db2.gz XSEBJZKUMROQRG-LOIXOFCESA-N 1 1 324.381 -1.110 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085868688 776229034 /nfs/dbraw/zinc/22/90/34/776229034.db2.gz XDVYFJVIGOQECL-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085868688 776229039 /nfs/dbraw/zinc/22/90/39/776229039.db2.gz XDVYFJVIGOQECL-QWRGUYRKSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC001085868258 776229672 /nfs/dbraw/zinc/22/96/72/776229672.db2.gz KZBBXDDKZIBMJI-OPASDULOSA-N 1 1 310.354 -1.500 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001085872644 776229687 /nfs/dbraw/zinc/22/96/87/776229687.db2.gz BLULWZKJXZAOMQ-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001085872644 776229691 /nfs/dbraw/zinc/22/96/91/776229691.db2.gz BLULWZKJXZAOMQ-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085924333 776231001 /nfs/dbraw/zinc/23/10/01/776231001.db2.gz TVTJHIIQGJQTJO-NXEZZACHSA-N 1 1 320.353 -1.055 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085924335 776231302 /nfs/dbraw/zinc/23/13/02/776231302.db2.gz TVTJHIIQGJQTJO-VHSXEESVSA-N 1 1 320.353 -1.055 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[N@H+](CCO)CCO1 ZINC001108219000 776232119 /nfs/dbraw/zinc/23/21/19/776232119.db2.gz AEKRRSRINQWWFI-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO C[C@@]1(CNC(=O)c2ccc(C(N)=O)[nH]2)C[N@@H+](CCO)CCO1 ZINC001108219000 776232126 /nfs/dbraw/zinc/23/21/26/776232126.db2.gz AEKRRSRINQWWFI-CQSZACIVSA-N 1 1 310.354 -1.073 20 0 DAADMO Cn1c(=O)cc(C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)n(C)c1=O ZINC001273380617 776232833 /nfs/dbraw/zinc/23/28/33/776232833.db2.gz KRMJIFPVTUQZFD-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO Cn1c(=O)cc(C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)n(C)c1=O ZINC001273380617 776232837 /nfs/dbraw/zinc/23/28/37/776232837.db2.gz KRMJIFPVTUQZFD-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1ccnnc1 ZINC001100013548 776233106 /nfs/dbraw/zinc/23/31/06/776233106.db2.gz OVHRQSLAWGQCQV-STQMWFEESA-N 1 1 310.354 -1.350 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)C1 ZINC001085982434 776234213 /nfs/dbraw/zinc/23/42/13/776234213.db2.gz KKIATPOWSFWICJ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)C1 ZINC001085982434 776234219 /nfs/dbraw/zinc/23/42/19/776234219.db2.gz KKIATPOWSFWICJ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986487 776234284 /nfs/dbraw/zinc/23/42/84/776234284.db2.gz FLBPDJHROGJEID-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986487 776234289 /nfs/dbraw/zinc/23/42/89/776234289.db2.gz FLBPDJHROGJEID-JTQLQIEISA-N 1 1 310.358 -1.444 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001098399505 776234527 /nfs/dbraw/zinc/23/45/27/776234527.db2.gz OTLBLTMVJSVTJO-UHFFFAOYSA-N 1 1 323.353 -1.434 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100018191 776234578 /nfs/dbraw/zinc/23/45/78/776234578.db2.gz PXSJEJYGGWEVMY-QWHCGFSZSA-N 1 1 312.370 -1.488 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100021122 776234711 /nfs/dbraw/zinc/23/47/11/776234711.db2.gz YHDZZDBENXZGPJ-WDEREUQCSA-N 1 1 322.431 -1.658 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986589 776235561 /nfs/dbraw/zinc/23/55/61/776235561.db2.gz IHGLLOOJCMVNQW-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090403061 776235597 /nfs/dbraw/zinc/23/55/97/776235597.db2.gz JSKIPWJZWOYGBJ-NXEZZACHSA-N 1 1 314.317 -1.530 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090403061 776235603 /nfs/dbraw/zinc/23/56/03/776235603.db2.gz JSKIPWJZWOYGBJ-NXEZZACHSA-N 1 1 314.317 -1.530 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986779 776235667 /nfs/dbraw/zinc/23/56/67/776235667.db2.gz NBCRAJIYGWNXAR-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001086059444 776236597 /nfs/dbraw/zinc/23/65/97/776236597.db2.gz GIXNIXMYEBZMJV-MXWKQRLJSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)c2cnnn2C)C1 ZINC001086075105 776238814 /nfs/dbraw/zinc/23/88/14/776238814.db2.gz WLVWZZMYMGSANL-DTORHVGOSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086078205 776240522 /nfs/dbraw/zinc/24/05/22/776240522.db2.gz JIVALPPDWGNYSS-DTORHVGOSA-N 1 1 305.346 -1.363 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001086101752 776241489 /nfs/dbraw/zinc/24/14/89/776241489.db2.gz VUUXDKIOWRZOJI-MXWKQRLJSA-N 1 1 321.385 -1.327 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001086101751 776241596 /nfs/dbraw/zinc/24/15/96/776241596.db2.gz VUUXDKIOWRZOJI-GARJFASQSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(=O)NC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CCCC1 ZINC001100031715 776242409 /nfs/dbraw/zinc/24/24/09/776242409.db2.gz JFEWJTJRMOLFCH-STQMWFEESA-N 1 1 313.398 -1.021 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cccc2ncnn21 ZINC001090404949 776243121 /nfs/dbraw/zinc/24/31/21/776243121.db2.gz VUOWNNIXEXYLHI-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 ZINC001100036395 776243575 /nfs/dbraw/zinc/24/35/75/776243575.db2.gz FXLMNVNHLISSHL-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001100036393 776244133 /nfs/dbraw/zinc/24/41/33/776244133.db2.gz FXLMNVNHLISSHL-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090405660 776244829 /nfs/dbraw/zinc/24/48/29/776244829.db2.gz YQGQBNXHHKVHEH-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090405660 776244834 /nfs/dbraw/zinc/24/48/34/776244834.db2.gz YQGQBNXHHKVHEH-WCQYABFASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001086169171 776247148 /nfs/dbraw/zinc/24/71/48/776247148.db2.gz HBDNASWDNWLFGQ-AXFHLTTASA-N 1 1 321.385 -1.185 20 0 DAADMO CC[N@@H+](CCO)C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC001098414195 776247866 /nfs/dbraw/zinc/24/78/66/776247866.db2.gz ZYLGZIRGEOUMNR-UHFFFAOYSA-N 1 1 311.386 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001108249610 776248753 /nfs/dbraw/zinc/24/87/53/776248753.db2.gz IMJFMNSDMJZBAT-GFCCVEGCSA-N 1 1 322.431 -1.391 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001108249610 776248757 /nfs/dbraw/zinc/24/87/57/776248757.db2.gz IMJFMNSDMJZBAT-GFCCVEGCSA-N 1 1 322.431 -1.391 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@H]1CCN(CCOCCO)C[C@H]1O ZINC001100041279 776250701 /nfs/dbraw/zinc/25/07/01/776250701.db2.gz GVMXDBGDBPEVSC-UONOGXRCSA-N 1 1 317.430 -1.112 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnon1 ZINC001100041341 776250709 /nfs/dbraw/zinc/25/07/09/776250709.db2.gz HYPZPQJFOOXWQU-GXSJLCMTSA-N 1 1 300.315 -1.757 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 ZINC001100058807 776255019 /nfs/dbraw/zinc/25/50/19/776255019.db2.gz ZSENTUCQWAKKCM-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086331643 776256133 /nfs/dbraw/zinc/25/61/33/776256133.db2.gz BSTGCQZXYMVQAO-DCAQKATOSA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001086331643 776256140 /nfs/dbraw/zinc/25/61/40/776256140.db2.gz BSTGCQZXYMVQAO-DCAQKATOSA-N 1 1 324.385 -1.175 20 0 DAADMO O=C(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)NCC1CC1 ZINC001100068784 776256480 /nfs/dbraw/zinc/25/64/80/776256480.db2.gz AXNVPTHGLDNEIK-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO O=C(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)NCC1CC1 ZINC001100068785 776256780 /nfs/dbraw/zinc/25/67/80/776256780.db2.gz AXNVPTHGLDNEIK-QWHCGFSZSA-N 1 1 313.398 -1.164 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001086355132 776257986 /nfs/dbraw/zinc/25/79/86/776257986.db2.gz MQUVLPUNJJFTBS-CIUDSAMLSA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001086354404 776258868 /nfs/dbraw/zinc/25/88/68/776258868.db2.gz GNVNOJJFBIJDIT-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001086355342 776259248 /nfs/dbraw/zinc/25/92/48/776259248.db2.gz WLVWZZMYMGSANL-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001086415773 776259866 /nfs/dbraw/zinc/25/98/66/776259866.db2.gz GMDWZGGOASKJBU-KYZUINATSA-N 1 1 321.341 -1.546 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001086392010 776260088 /nfs/dbraw/zinc/26/00/88/776260088.db2.gz SWAXEZRNMDXHBD-DCAQKATOSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001086415261 776260517 /nfs/dbraw/zinc/26/05/17/776260517.db2.gz HGJWWSHXQCBHQD-MGCOHNPYSA-N 1 1 307.358 -1.072 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001086414155 776260849 /nfs/dbraw/zinc/26/08/49/776260849.db2.gz LCPJYHIBEJTNTF-GMTAPVOTSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001086446600 776261809 /nfs/dbraw/zinc/26/18/09/776261809.db2.gz PAFAOKPTKJNGFX-GWOFURMSSA-N 1 1 321.385 -1.294 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100083322 776262273 /nfs/dbraw/zinc/26/22/73/776262273.db2.gz QFTNYSYVGGDWJI-RYUDHWBXSA-N 1 1 300.403 -1.245 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001086464622 776264930 /nfs/dbraw/zinc/26/49/30/776264930.db2.gz BORMGRXPCFOWDZ-CIUDSAMLSA-N 1 1 308.346 -2.124 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)[nH]c1=O ZINC001086466752 776266628 /nfs/dbraw/zinc/26/66/28/776266628.db2.gz SIKBXDVDOOSYDW-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO C[C@]1(CNC(=O)CC[NH+]2CCOCC2)CN(CCO)CCO1 ZINC001108279683 776267404 /nfs/dbraw/zinc/26/74/04/776267404.db2.gz ICPPAQOOABHTSO-HNNXBMFYSA-N 1 1 315.414 -1.092 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100097591 776267538 /nfs/dbraw/zinc/26/75/38/776267538.db2.gz YYTCFYNPHHUONW-GHMZBOCLSA-N 1 1 311.338 -1.447 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100100616 776267630 /nfs/dbraw/zinc/26/76/30/776267630.db2.gz BQMDDOLTSIVLCW-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100100616 776267638 /nfs/dbraw/zinc/26/76/38/776267638.db2.gz BQMDDOLTSIVLCW-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001098448868 776271977 /nfs/dbraw/zinc/27/19/77/776271977.db2.gz UZCQHXHGMGQDDR-LLVKDONJSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098447731 776272120 /nfs/dbraw/zinc/27/21/20/776272120.db2.gz VQHNXEJAMGHRKT-JTQLQIEISA-N 1 1 314.386 -1.732 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001098454885 776273164 /nfs/dbraw/zinc/27/31/64/776273164.db2.gz WMCWGLRYXNWFAF-JTQLQIEISA-N 1 1 312.374 -1.510 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300995 776273180 /nfs/dbraw/zinc/27/31/80/776273180.db2.gz KMRUNDFRYDMOND-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108300995 776273185 /nfs/dbraw/zinc/27/31/85/776273185.db2.gz KMRUNDFRYDMOND-AAEUAGOBSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100115995 776273545 /nfs/dbraw/zinc/27/35/45/776273545.db2.gz JHWWNSWLMSWHPD-NEPJUHHUSA-N 1 1 322.427 -1.257 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100115995 776273549 /nfs/dbraw/zinc/27/35/49/776273549.db2.gz JHWWNSWLMSWHPD-NEPJUHHUSA-N 1 1 322.427 -1.257 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001100117582 776274200 /nfs/dbraw/zinc/27/42/00/776274200.db2.gz LHFNZGBPWPINOU-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291508 776274427 /nfs/dbraw/zinc/27/44/27/776274427.db2.gz RVMPVXRVXSDURY-MFKMUULPSA-N 1 1 314.342 -1.102 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cnon2)C1 ZINC001108291508 776274434 /nfs/dbraw/zinc/27/44/34/776274434.db2.gz RVMPVXRVXSDURY-MFKMUULPSA-N 1 1 314.342 -1.102 20 0 DAADMO C[C@@H](CNc1ccc2nnnn2n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001108302891 776275424 /nfs/dbraw/zinc/27/54/24/776275424.db2.gz ICRNMFWWZJZZPC-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNc1ccc2nnnn2n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001108302891 776275428 /nfs/dbraw/zinc/27/54/28/776275428.db2.gz ICRNMFWWZJZZPC-UWVGGRQHSA-N 1 1 320.357 -1.234 20 0 DAADMO COCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108301240 776275557 /nfs/dbraw/zinc/27/55/57/776275557.db2.gz NYSUPZJROQPZRU-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO COCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108301240 776275562 /nfs/dbraw/zinc/27/55/62/776275562.db2.gz NYSUPZJROQPZRU-ZDUSSCGKSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnccc2=O)C[N@H+](CCO)CCO1 ZINC001108312118 776275687 /nfs/dbraw/zinc/27/56/87/776275687.db2.gz AINYLZIXQCDQKM-OAHLLOKOSA-N 1 1 324.381 -1.167 20 0 DAADMO C[C@@]1(CNC(=O)CCn2cnccc2=O)C[N@@H+](CCO)CCO1 ZINC001108312118 776275692 /nfs/dbraw/zinc/27/56/92/776275692.db2.gz AINYLZIXQCDQKM-OAHLLOKOSA-N 1 1 324.381 -1.167 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)o1 ZINC001090416620 776276212 /nfs/dbraw/zinc/27/62/12/776276212.db2.gz JKBIMHMDUQTPQY-VHSXEESVSA-N 1 1 311.338 -1.074 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CNC2=O)C[N@H+](CCO)CCO1 ZINC001108385837 776278761 /nfs/dbraw/zinc/27/87/61/776278761.db2.gz RIPOJZXGUSYIIE-ZDUSSCGKSA-N 1 1 314.342 -2.262 20 0 DAADMO C[C@]1(CNC(=O)CN2C(=O)CNC2=O)C[N@@H+](CCO)CCO1 ZINC001108385837 776278765 /nfs/dbraw/zinc/27/87/65/776278765.db2.gz RIPOJZXGUSYIIE-ZDUSSCGKSA-N 1 1 314.342 -2.262 20 0 DAADMO CNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394403 776280682 /nfs/dbraw/zinc/28/06/82/776280682.db2.gz HVLCTPXODNMMLB-DOMZBBRYSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@@]1(CNC(=O)CCNC(N)=O)C[N@H+](CCCO)CCO1 ZINC001108387516 776280700 /nfs/dbraw/zinc/28/07/00/776280700.db2.gz RZQLUSSVVXWYIS-CYBMUJFWSA-N 1 1 302.375 -1.366 20 0 DAADMO C[C@@]1(CNC(=O)CCNC(N)=O)C[N@@H+](CCCO)CCO1 ZINC001108387516 776280701 /nfs/dbraw/zinc/28/07/01/776280701.db2.gz RZQLUSSVVXWYIS-CYBMUJFWSA-N 1 1 302.375 -1.366 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n(C)c1=O ZINC001108426690 776281816 /nfs/dbraw/zinc/28/18/16/776281816.db2.gz QFQCGPLGKIMLCA-AWEZNQCLSA-N 1 1 312.370 -1.463 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n(C)c1=O ZINC001108426690 776281825 /nfs/dbraw/zinc/28/18/25/776281825.db2.gz QFQCGPLGKIMLCA-AWEZNQCLSA-N 1 1 312.370 -1.463 20 0 DAADMO C[NH+]1CCC(NC(=O)c2ccc(-n3nnnc3CN)nn2)CC1 ZINC001168920561 776281952 /nfs/dbraw/zinc/28/19/52/776281952.db2.gz IKUNBVNIFYRUTE-UHFFFAOYSA-N 1 1 317.357 -1.265 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)n(C)c1=O ZINC001108426691 776282053 /nfs/dbraw/zinc/28/20/53/776282053.db2.gz QFQCGPLGKIMLCA-CQSZACIVSA-N 1 1 312.370 -1.463 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)n(C)c1=O ZINC001108426691 776282056 /nfs/dbraw/zinc/28/20/56/776282056.db2.gz QFQCGPLGKIMLCA-CQSZACIVSA-N 1 1 312.370 -1.463 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[N@H+](CCO)CCO1 ZINC001108402944 776282122 /nfs/dbraw/zinc/28/21/22/776282122.db2.gz QYPRHMCKSFHDPM-ZYHUDNBSSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108402944 776282125 /nfs/dbraw/zinc/28/21/25/776282125.db2.gz QYPRHMCKSFHDPM-ZYHUDNBSSA-N 1 1 321.399 -2.123 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001108410698 776282140 /nfs/dbraw/zinc/28/21/40/776282140.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(C)CN(CCO)CCO2)C1 ZINC001108410698 776282142 /nfs/dbraw/zinc/28/21/42/776282142.db2.gz TXIMNKWKBSRHAL-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421290 776283147 /nfs/dbraw/zinc/28/31/47/776283147.db2.gz KEDUTDCJHLEJLU-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001108421290 776283152 /nfs/dbraw/zinc/28/31/52/776283152.db2.gz KEDUTDCJHLEJLU-ZDUSSCGKSA-N 1 1 310.358 -1.396 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)Cn1cnnn1 ZINC001169043996 776283456 /nfs/dbraw/zinc/28/34/56/776283456.db2.gz HOJQWPCCYLRMSQ-SNVBAGLBSA-N 1 1 322.377 -1.339 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 ZINC001108492928 776290809 /nfs/dbraw/zinc/29/08/09/776290809.db2.gz BATJLJWRODUIIH-SCZZXKLOSA-N 1 1 321.324 -1.340 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCCCS2(=O)=O)nn1 ZINC001129333509 776292583 /nfs/dbraw/zinc/29/25/83/776292583.db2.gz ITACEPQSMOKECT-LLVKDONJSA-N 1 1 315.399 -1.012 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108501918 776293633 /nfs/dbraw/zinc/29/36/33/776293633.db2.gz CCDYLQCGWJOLIN-VIFPVBQESA-N 1 1 315.349 -1.584 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108502213 776293745 /nfs/dbraw/zinc/29/37/45/776293745.db2.gz IZGOMBDPMDSXQW-VIFPVBQESA-N 1 1 313.358 -2.562 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CCN(C(C)=O)C3)C[C@H]21 ZINC001169549080 776295448 /nfs/dbraw/zinc/29/54/48/776295448.db2.gz KWRBSJFMVFYHQB-MJBXVCDLSA-N 1 1 310.398 -1.262 20 0 DAADMO CCOC(=O)N1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001169671153 776297548 /nfs/dbraw/zinc/29/75/48/776297548.db2.gz DFEBTGNGLQBPBN-RNJOBUHISA-N 1 1 312.418 -1.010 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108534909 776299237 /nfs/dbraw/zinc/29/92/37/776299237.db2.gz UOLVCPMGNYQURK-SNVBAGLBSA-N 1 1 312.370 -2.094 20 0 DAADMO CC(C)(O)CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108541109 776300276 /nfs/dbraw/zinc/30/02/76/776300276.db2.gz OCIYFDZPBONPRS-NSHDSACASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CCS(C)(=O)=O)CC2=O)C1 ZINC001108553094 776301886 /nfs/dbraw/zinc/30/18/86/776301886.db2.gz FQTFDKSWTJWJOY-SNVBAGLBSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108567800 776306012 /nfs/dbraw/zinc/30/60/12/776306012.db2.gz BHDGGQSGBJJPHH-VHSXEESVSA-N 1 1 324.381 -1.966 20 0 DAADMO COCCCC[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108567194 776307169 /nfs/dbraw/zinc/30/71/69/776307169.db2.gz YHZFQFXTBSQLQY-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO CCOCCC[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566219 776307896 /nfs/dbraw/zinc/30/78/96/776307896.db2.gz GCHOQVWAWVUMEJ-JTQLQIEISA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001108584693 776308321 /nfs/dbraw/zinc/30/83/21/776308321.db2.gz LLJQXCCQICJRIQ-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C3(C(=O)NC)CC3)CC2=O)C1 ZINC001108580917 776308436 /nfs/dbraw/zinc/30/84/36/776308436.db2.gz WIWJUFJYPHKBHI-SNVBAGLBSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CS(=O)(=O)NC)CC2=O)C1 ZINC001108590105 776309818 /nfs/dbraw/zinc/30/98/18/776309818.db2.gz GDMOUTRQFHQVAC-SECBINFHSA-N 1 1 318.399 -2.043 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1 ZINC001129369826 776316568 /nfs/dbraw/zinc/31/65/68/776316568.db2.gz IDSWNVLAVSOSGQ-OLZOCXBDSA-N 1 1 310.402 -1.046 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001108877019 776316992 /nfs/dbraw/zinc/31/69/92/776316992.db2.gz MQNBNPLKUXJRMG-NOOOWODRSA-N 1 1 322.365 -1.351 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001108877019 776317002 /nfs/dbraw/zinc/31/70/02/776317002.db2.gz MQNBNPLKUXJRMG-NOOOWODRSA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100126774 776317018 /nfs/dbraw/zinc/31/70/18/776317018.db2.gz MJQYMLBYSRSSEI-GHMZBOCLSA-N 1 1 316.402 -1.372 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100126705 776317224 /nfs/dbraw/zinc/31/72/24/776317224.db2.gz LJYZZHWZEAUSLA-WDEREUQCSA-N 1 1 310.358 -2.034 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917286 776320008 /nfs/dbraw/zinc/32/00/08/776320008.db2.gz ZERHAJUVBBWFIX-ZNSHCXBVSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917286 776320014 /nfs/dbraw/zinc/32/00/14/776320014.db2.gz ZERHAJUVBBWFIX-ZNSHCXBVSA-N 1 1 311.386 -1.147 20 0 DAADMO CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108912994 776320309 /nfs/dbraw/zinc/32/03/09/776320309.db2.gz FKQAEEUBBWSWKN-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001108916882 776320427 /nfs/dbraw/zinc/32/04/27/776320427.db2.gz NTOJDHKIFHQBDZ-KATARQTJSA-N 1 1 323.353 -1.819 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001108916882 776320438 /nfs/dbraw/zinc/32/04/38/776320438.db2.gz NTOJDHKIFHQBDZ-KATARQTJSA-N 1 1 323.353 -1.819 20 0 DAADMO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108916902 776320489 /nfs/dbraw/zinc/32/04/89/776320489.db2.gz OWUZGMXCGRGBAP-VPOLOUISSA-N 1 1 309.370 -1.393 20 0 DAADMO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108916902 776320495 /nfs/dbraw/zinc/32/04/95/776320495.db2.gz OWUZGMXCGRGBAP-VPOLOUISSA-N 1 1 309.370 -1.393 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108917149 776320873 /nfs/dbraw/zinc/32/08/73/776320873.db2.gz RVGNIIIRGPNEFD-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108917149 776320884 /nfs/dbraw/zinc/32/08/84/776320884.db2.gz RVGNIIIRGPNEFD-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001108979694 776323194 /nfs/dbraw/zinc/32/31/94/776323194.db2.gz IXRYQKQPZSYLDV-WOPDTQHZSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001108979694 776323204 /nfs/dbraw/zinc/32/32/04/776323204.db2.gz IXRYQKQPZSYLDV-WOPDTQHZSA-N 1 1 308.382 -1.020 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001108986554 776323561 /nfs/dbraw/zinc/32/35/61/776323561.db2.gz SFYARTOEAMRQRK-RCWTZXSCSA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001108986554 776323568 /nfs/dbraw/zinc/32/35/68/776323568.db2.gz SFYARTOEAMRQRK-RCWTZXSCSA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)c1c[nH+]ccc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169977046 776324376 /nfs/dbraw/zinc/32/43/76/776324376.db2.gz LKOBXFVIIRHCPL-CJJWORHMSA-N 1 1 314.294 -2.498 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc2n(n1)CCCO2 ZINC001090423482 776325274 /nfs/dbraw/zinc/32/52/74/776325274.db2.gz QFPQCXCXMWGYDG-JQWIXIFHSA-N 1 1 310.354 -1.177 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001109068414 776325466 /nfs/dbraw/zinc/32/54/66/776325466.db2.gz VOHOOLPVTIYQAY-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109111956 776326296 /nfs/dbraw/zinc/32/62/96/776326296.db2.gz VSZGGCYHUHIECN-HXFLIBJXSA-N 1 1 311.342 -1.833 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109111956 776326309 /nfs/dbraw/zinc/32/63/09/776326309.db2.gz VSZGGCYHUHIECN-HXFLIBJXSA-N 1 1 311.342 -1.833 20 0 DAADMO Cc1cc(N(C)C)[nH+]cc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169977973 776327040 /nfs/dbraw/zinc/32/70/40/776327040.db2.gz XIKXHOYUKQHHHT-FZGMBXNASA-N 1 1 313.354 -1.332 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)n1 ZINC001129385030 776329130 /nfs/dbraw/zinc/32/91/30/776329130.db2.gz CMZBGLPZFSYEFG-ZDUSSCGKSA-N 1 1 320.401 -1.152 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109372753 776332484 /nfs/dbraw/zinc/33/24/84/776332484.db2.gz OLRCRAGMTTUNBQ-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109372753 776332497 /nfs/dbraw/zinc/33/24/97/776332497.db2.gz OLRCRAGMTTUNBQ-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090424137 776333481 /nfs/dbraw/zinc/33/34/81/776333481.db2.gz XCZOWZOASOXCPP-YPMHNXCESA-N 1 1 312.370 -1.313 20 0 DAADMO CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)S(C)(=O)=O ZINC001109366617 776333608 /nfs/dbraw/zinc/33/36/08/776333608.db2.gz YDFYJPZBCHCKFH-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)S(C)(=O)=O ZINC001109366268 776333909 /nfs/dbraw/zinc/33/39/09/776333909.db2.gz HBGLMWJSYXGMGL-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100129356 776334477 /nfs/dbraw/zinc/33/44/77/776334477.db2.gz LCVANYBIXZNVTO-GHMZBOCLSA-N 1 1 308.400 -1.645 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100129356 776334484 /nfs/dbraw/zinc/33/44/84/776334484.db2.gz LCVANYBIXZNVTO-GHMZBOCLSA-N 1 1 308.400 -1.645 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109278588 776334602 /nfs/dbraw/zinc/33/46/02/776334602.db2.gz WBYSQTLWHVXMGO-VWYCJHECSA-N 1 1 305.400 -1.361 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109375682 776335299 /nfs/dbraw/zinc/33/52/99/776335299.db2.gz GUJLJPKTWSDYOG-YTWAJWBKSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109375682 776335308 /nfs/dbraw/zinc/33/53/08/776335308.db2.gz GUJLJPKTWSDYOG-YTWAJWBKSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109375681 776335528 /nfs/dbraw/zinc/33/55/28/776335528.db2.gz GUJLJPKTWSDYOG-RCWTZXSCSA-N 1 1 311.386 -1.099 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)NC)C2 ZINC001109375681 776335537 /nfs/dbraw/zinc/33/55/37/776335537.db2.gz GUJLJPKTWSDYOG-RCWTZXSCSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109459272 776335853 /nfs/dbraw/zinc/33/58/53/776335853.db2.gz DPLCPPNIXHIYKA-WOPDTQHZSA-N 1 1 314.361 -1.070 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109459272 776335862 /nfs/dbraw/zinc/33/58/62/776335862.db2.gz DPLCPPNIXHIYKA-WOPDTQHZSA-N 1 1 314.361 -1.070 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CCNC1=O ZINC001109595037 776338297 /nfs/dbraw/zinc/33/82/97/776338297.db2.gz MOPDBISWCNZABT-NDBYEHHHSA-N 1 1 311.382 -1.147 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100131427 776338430 /nfs/dbraw/zinc/33/84/30/776338430.db2.gz CUMCNSLSTOGIIM-KBPBESRZSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100131427 776338457 /nfs/dbraw/zinc/33/84/57/776338457.db2.gz CUMCNSLSTOGIIM-KBPBESRZSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100131427 776338462 /nfs/dbraw/zinc/33/84/62/776338462.db2.gz CUMCNSLSTOGIIM-KBPBESRZSA-N 1 1 317.430 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C)n1)C2 ZINC001109609590 776338571 /nfs/dbraw/zinc/33/85/71/776338571.db2.gz DGTSADQUCMSMIV-RCWTZXSCSA-N 1 1 310.358 -1.448 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100131428 776339132 /nfs/dbraw/zinc/33/91/32/776339132.db2.gz CUMCNSLSTOGIIM-KGLIPLIRSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100131428 776339162 /nfs/dbraw/zinc/33/91/62/776339162.db2.gz CUMCNSLSTOGIIM-KGLIPLIRSA-N 1 1 317.430 -1.113 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@@H]1O ZINC001100131428 776339173 /nfs/dbraw/zinc/33/91/73/776339173.db2.gz CUMCNSLSTOGIIM-KGLIPLIRSA-N 1 1 317.430 -1.113 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109659847 776340089 /nfs/dbraw/zinc/34/00/89/776340089.db2.gz IYARGZLNEGOEBO-VWYCJHECSA-N 1 1 305.400 -1.231 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)CC1 ZINC001109660174 776340154 /nfs/dbraw/zinc/34/01/54/776340154.db2.gz ZUXOQFGFBPBVHM-VPOLOUISSA-N 1 1 306.366 -1.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001109660174 776340164 /nfs/dbraw/zinc/34/01/64/776340164.db2.gz ZUXOQFGFBPBVHM-VPOLOUISSA-N 1 1 306.366 -1.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001109660173 776340184 /nfs/dbraw/zinc/34/01/84/776340184.db2.gz ZUXOQFGFBPBVHM-RCWTZXSCSA-N 1 1 306.366 -1.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001109660173 776340193 /nfs/dbraw/zinc/34/01/93/776340193.db2.gz ZUXOQFGFBPBVHM-RCWTZXSCSA-N 1 1 306.366 -1.138 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109909973 776343145 /nfs/dbraw/zinc/34/31/45/776343145.db2.gz WJKZISDMKKELQL-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109879939 776343240 /nfs/dbraw/zinc/34/32/40/776343240.db2.gz SPJDIEZFZDSVJO-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109879939 776343249 /nfs/dbraw/zinc/34/32/49/776343249.db2.gz SPJDIEZFZDSVJO-ZNSHCXBVSA-N 1 1 307.358 -1.342 20 0 DAADMO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)Cn1cnnn1)C2 ZINC001109946130 776344720 /nfs/dbraw/zinc/34/47/20/776344720.db2.gz UMTLDNGNOQOUES-USZNOCQGSA-N 1 1 321.385 -1.081 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100135852 776346459 /nfs/dbraw/zinc/34/64/59/776346459.db2.gz CZFGSRGJRBZMMO-MNOVXSKESA-N 1 1 314.342 -1.448 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001090431785 776347061 /nfs/dbraw/zinc/34/70/61/776347061.db2.gz CUIJRIXKJXQLPS-QWHCGFSZSA-N 1 1 323.397 -1.169 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc3nnnn3c2)[C@H](O)C1 ZINC001090430968 776347405 /nfs/dbraw/zinc/34/74/05/776347405.db2.gz ROCBEPWIZTYAKH-NWDGAFQWSA-N 1 1 320.353 -1.064 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110049394 776348511 /nfs/dbraw/zinc/34/85/11/776348511.db2.gz ZUSKALJXKXMJHG-VWYCJHECSA-N 1 1 305.400 -1.408 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001090440387 776350713 /nfs/dbraw/zinc/35/07/13/776350713.db2.gz CSJJUFURALYXDQ-JQWIXIFHSA-N 1 1 310.354 -1.408 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112603094 776350772 /nfs/dbraw/zinc/35/07/72/776350772.db2.gz IAKSBHHBGBLAEH-OCCSQVGLSA-N 1 1 323.397 -1.087 20 0 DAADMO COCCOC[C@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112734625 776366187 /nfs/dbraw/zinc/36/61/87/776366187.db2.gz FILUSSGWFOACOA-LLVKDONJSA-N 1 1 303.359 -1.970 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NCC3CC3)CC2)C1 ZINC001112742154 776366881 /nfs/dbraw/zinc/36/68/81/776366881.db2.gz RRXWYHHSGFJFSK-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NCC3CC3)CC2)C1 ZINC001112742154 776366891 /nfs/dbraw/zinc/36/68/91/776366891.db2.gz RRXWYHHSGFJFSK-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCNC(=O)C3CC3)CC2)C1 ZINC001112740047 776368841 /nfs/dbraw/zinc/36/88/41/776368841.db2.gz UOTCZSGBTUWNHJ-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CCNC(=O)C3CC3)CC2)C1 ZINC001112740047 776368848 /nfs/dbraw/zinc/36/88/48/776368848.db2.gz UOTCZSGBTUWNHJ-CQSZACIVSA-N 1 1 324.425 -1.013 20 0 DAADMO CCc1cc(N2C[C@H](O)[C@@H](CNC(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001112751660 776370138 /nfs/dbraw/zinc/37/01/38/776370138.db2.gz RYRNYGKSRNUANT-ONGXEEELSA-N 1 1 307.354 -1.254 20 0 DAADMO CCc1cc(N2C[C@H](O)[C@H](CNC(=O)C(N)=O)C2)nc(C)[nH+]1 ZINC001112751658 776370186 /nfs/dbraw/zinc/37/01/86/776370186.db2.gz RYRNYGKSRNUANT-KOLCDFICSA-N 1 1 307.354 -1.254 20 0 DAADMO CCc1nc(N2C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001112752127 776371283 /nfs/dbraw/zinc/37/12/83/776371283.db2.gz ZRQKWSCTFAOSEE-VHSXEESVSA-N 1 1 307.354 -1.254 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001112770168 776372533 /nfs/dbraw/zinc/37/25/33/776372533.db2.gz DZRBJBIGSIKUIM-CHWSQXEVSA-N 1 1 301.387 -1.532 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001112770170 776373098 /nfs/dbraw/zinc/37/30/98/776373098.db2.gz DZRBJBIGSIKUIM-QWHCGFSZSA-N 1 1 301.387 -1.532 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC001112770169 776373190 /nfs/dbraw/zinc/37/31/90/776373190.db2.gz DZRBJBIGSIKUIM-OLZOCXBDSA-N 1 1 301.387 -1.532 20 0 DAADMO CNC(=O)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112791643 776374870 /nfs/dbraw/zinc/37/48/70/776374870.db2.gz UITCXXIZCKVXJQ-GFCCVEGCSA-N 1 1 309.370 -1.476 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001112848787 776380125 /nfs/dbraw/zinc/38/01/25/776380125.db2.gz USICMJAWCQOFNM-STQMWFEESA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001112854072 776380618 /nfs/dbraw/zinc/38/06/18/776380618.db2.gz VEPWZVLSLKASQV-MNOVXSKESA-N 1 1 302.375 -1.415 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112877283 776380972 /nfs/dbraw/zinc/38/09/72/776380972.db2.gz DGSGEFYENXFRTB-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCC[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001112864940 776381356 /nfs/dbraw/zinc/38/13/56/776381356.db2.gz KTIDIKPDJXANAO-UHFFFAOYSA-N 1 1 310.358 -1.442 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](CCCO)CC1 ZINC001112872159 776383283 /nfs/dbraw/zinc/38/32/83/776383283.db2.gz DLKFXNSLMNRFLA-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001112912416 776383943 /nfs/dbraw/zinc/38/39/43/776383943.db2.gz APIFUOOPAAMNNR-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001112915360 776383997 /nfs/dbraw/zinc/38/39/97/776383997.db2.gz NKVREEYXXZTFSJ-NSHDSACASA-N 1 1 323.415 -1.971 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001112974994 776387016 /nfs/dbraw/zinc/38/70/16/776387016.db2.gz WXKKYEJTFXOSOU-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001098463080 776388151 /nfs/dbraw/zinc/38/81/51/776388151.db2.gz AXRPXHNDBORNSC-CMPLNLGQSA-N 1 1 314.386 -1.666 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC001113030255 776389352 /nfs/dbraw/zinc/38/93/52/776389352.db2.gz RUPIOHGUVTXGNJ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113050461 776389645 /nfs/dbraw/zinc/38/96/45/776389645.db2.gz NGBOVPOASUGKGM-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098463292 776391013 /nfs/dbraw/zinc/39/10/13/776391013.db2.gz IRVFSORRIKGNAZ-LLVKDONJSA-N 1 1 302.350 -1.077 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCCCNC(N)=O)CC1 ZINC001113078349 776391373 /nfs/dbraw/zinc/39/13/73/776391373.db2.gz CHUYNOBPOOACMV-GFCCVEGCSA-N 1 1 316.402 -1.024 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113107044 776393046 /nfs/dbraw/zinc/39/30/46/776393046.db2.gz XPDFZFUDBNRHII-UHFFFAOYSA-N 1 1 322.369 -1.209 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113106744 776393381 /nfs/dbraw/zinc/39/33/81/776393381.db2.gz HCMYIVUBYQEANX-UHFFFAOYSA-N 1 1 308.342 -1.469 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001098464808 776393558 /nfs/dbraw/zinc/39/35/58/776393558.db2.gz HWHRBAALQHXJEI-LLVKDONJSA-N 1 1 313.398 -1.082 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113156510 776394368 /nfs/dbraw/zinc/39/43/68/776394368.db2.gz IMXBXUUQQKMEST-JTQLQIEISA-N 1 1 324.403 -2.808 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC001113156667 776395521 /nfs/dbraw/zinc/39/55/21/776395521.db2.gz QUJWBLPOCKSFID-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO NC(=O)C1(C(=O)N2CCC([N@@H+](CCO)CCCO)CC2)CC1 ZINC001098465052 776395748 /nfs/dbraw/zinc/39/57/48/776395748.db2.gz UOJDLHWLSWDJDH-UHFFFAOYSA-N 1 1 313.398 -1.080 20 0 DAADMO CCOCCC[NH+]1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC001113184805 776397124 /nfs/dbraw/zinc/39/71/24/776397124.db2.gz YNXVUUSKWLWDNI-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001113190540 776397164 /nfs/dbraw/zinc/39/71/64/776397164.db2.gz OTXTYQNLEZYSHG-MNOVXSKESA-N 1 1 300.359 -1.839 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001113283440 776401063 /nfs/dbraw/zinc/40/10/63/776401063.db2.gz KSBCWQNSVVZLOR-NSHDSACASA-N 1 1 323.415 -1.793 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)CCn2cccn2)CC1 ZINC001098465521 776402311 /nfs/dbraw/zinc/40/23/11/776402311.db2.gz UCFZHGBBQVJQML-UHFFFAOYSA-N 1 1 309.370 -1.346 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCc2cnn(C)n2)CC1 ZINC001113349093 776402519 /nfs/dbraw/zinc/40/25/19/776402519.db2.gz OGUMZOCZPLXTFA-CYBMUJFWSA-N 1 1 311.386 -1.101 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CCc2cnn(C)n2)CC1 ZINC001113349094 776402722 /nfs/dbraw/zinc/40/27/22/776402722.db2.gz OGUMZOCZPLXTFA-ZDUSSCGKSA-N 1 1 311.386 -1.101 20 0 DAADMO COC[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465612 776403163 /nfs/dbraw/zinc/40/31/63/776403163.db2.gz YKKYNASMVDJMCC-LLVKDONJSA-N 1 1 303.359 -2.236 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113343726 776404431 /nfs/dbraw/zinc/40/44/31/776404431.db2.gz AKRNFSGBEQMVIY-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001113405911 776405192 /nfs/dbraw/zinc/40/51/92/776405192.db2.gz JBHUZALJSLJUPG-JQWIXIFHSA-N 1 1 314.386 -1.454 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001113386538 776405876 /nfs/dbraw/zinc/40/58/76/776405876.db2.gz LSOIEIHRVCMGDY-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC001113385069 776405975 /nfs/dbraw/zinc/40/59/75/776405975.db2.gz XWPVYHYTWLKDKS-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](CCCO)CC1 ZINC001113435717 776408570 /nfs/dbraw/zinc/40/85/70/776408570.db2.gz YBAYBXIJVZUKPE-GFCCVEGCSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](CCCO)CC1 ZINC001113435718 776408690 /nfs/dbraw/zinc/40/86/90/776408690.db2.gz YBAYBXIJVZUKPE-LBPRGKRZSA-N 1 1 314.386 -1.717 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113435420 776408864 /nfs/dbraw/zinc/40/88/64/776408864.db2.gz HCJPGQJQRPQZCW-PWSUYJOCSA-N 1 1 314.386 -1.718 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001113437707 776408972 /nfs/dbraw/zinc/40/89/72/776408972.db2.gz FOHLMNNHEGWYRM-SNVBAGLBSA-N 1 1 314.342 -2.310 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(CC(=O)NC(=O)NC)CC1 ZINC001113497350 776409819 /nfs/dbraw/zinc/40/98/19/776409819.db2.gz QPJBOAOREIDLTJ-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)Cn2nc(C)ccc2=O)CC1 ZINC001113566604 776412000 /nfs/dbraw/zinc/41/20/00/776412000.db2.gz LKJWEWKQUVBZDJ-ZDUSSCGKSA-N 1 1 324.381 -1.297 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001113613705 776414972 /nfs/dbraw/zinc/41/49/72/776414972.db2.gz IWWRGRKTNPOGAI-SNVBAGLBSA-N 1 1 314.342 -2.310 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001113614135 776415170 /nfs/dbraw/zinc/41/51/70/776415170.db2.gz ZFNWLOOBBQYDQU-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001113613704 776415386 /nfs/dbraw/zinc/41/53/86/776415386.db2.gz IWWRGRKTNPOGAI-JTQLQIEISA-N 1 1 314.342 -2.310 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001115017680 776415472 /nfs/dbraw/zinc/41/54/72/776415472.db2.gz CUPKIUURTLQHBF-MIZYBKAJSA-N 1 1 305.342 -2.002 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[NH+](CCCO)CC1 ZINC001113620778 776416372 /nfs/dbraw/zinc/41/63/72/776416372.db2.gz RHIOIAWGCAGBBL-UHFFFAOYSA-N 1 1 312.370 -1.155 20 0 DAADMO CNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629527 776416410 /nfs/dbraw/zinc/41/64/10/776416410.db2.gz MJNNLKISEXHEEA-LLVKDONJSA-N 1 1 311.386 -1.462 20 0 DAADMO O=C(CCNC(=O)c1cnccn1)N1CC[NH+](CCO)CC1 ZINC001113653207 776417966 /nfs/dbraw/zinc/41/79/66/776417966.db2.gz XOVIPXBUZYJEEB-UHFFFAOYSA-N 1 1 307.354 -1.267 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C[C@H](O)COC)CC2)C1 ZINC001113658041 776417999 /nfs/dbraw/zinc/41/79/99/776417999.db2.gz FDFORBNMZWWORX-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(C[C@H](O)COC)CC2)C1 ZINC001113658041 776418001 /nfs/dbraw/zinc/41/80/01/776418001.db2.gz FDFORBNMZWWORX-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO CO[C@@H](C)C[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679305 776418161 /nfs/dbraw/zinc/41/81/61/776418161.db2.gz MQCVVSJIIAXDCK-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001113673506 776418269 /nfs/dbraw/zinc/41/82/69/776418269.db2.gz VRZPXBPJUGGYOJ-OLZOCXBDSA-N 1 1 323.397 -1.008 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113681368 776419274 /nfs/dbraw/zinc/41/92/74/776419274.db2.gz RPJXDGLFDBCVFN-LLVKDONJSA-N 1 1 316.402 -1.155 20 0 DAADMO CCOCCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001113682479 776419278 /nfs/dbraw/zinc/41/92/78/776419278.db2.gz DCWKSRGPWKFIQY-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO COCCCC[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001113682779 776419341 /nfs/dbraw/zinc/41/93/41/776419341.db2.gz RTBAYZJAJAACGB-UHFFFAOYSA-N 1 1 324.385 -1.052 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)N2CCOCC2)CC1 ZINC001113740788 776420686 /nfs/dbraw/zinc/42/06/86/776420686.db2.gz XJUIEWBIOAZUED-KBPBESRZSA-N 1 1 315.414 -1.141 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001113764070 776421708 /nfs/dbraw/zinc/42/17/08/776421708.db2.gz FAVHQCNHHKAWLC-IAZYJMLFSA-N 1 1 305.400 -1.429 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCc2cn(C)nn2)CC1 ZINC001113735431 776421807 /nfs/dbraw/zinc/42/18/07/776421807.db2.gz ROVGOZWBUDZMPN-CYBMUJFWSA-N 1 1 311.386 -1.101 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113748716 776421895 /nfs/dbraw/zinc/42/18/95/776421895.db2.gz CXQRQSWLFFDRFM-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113748716 776421903 /nfs/dbraw/zinc/42/19/03/776421903.db2.gz CXQRQSWLFFDRFM-UXCLJVHYSA-N 1 1 312.370 -1.087 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113764048 776421980 /nfs/dbraw/zinc/42/19/80/776421980.db2.gz DNTMFXAXLFMIOX-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC ZINC001113764048 776421986 /nfs/dbraw/zinc/42/19/86/776421986.db2.gz DNTMFXAXLFMIOX-IWIIMEHWSA-N 1 1 312.370 -1.085 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001113794055 776422680 /nfs/dbraw/zinc/42/26/80/776422680.db2.gz WRYGYBURGOIBTA-JYAVWHMHSA-N 1 1 308.382 -1.209 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113793552 776422720 /nfs/dbraw/zinc/42/27/20/776422720.db2.gz MNMNWYITAWHVEU-CNABLZDZSA-N 1 1 311.342 -2.248 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001113793552 776422723 /nfs/dbraw/zinc/42/27/23/776422723.db2.gz MNMNWYITAWHVEU-CNABLZDZSA-N 1 1 311.342 -2.248 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113772235 776422799 /nfs/dbraw/zinc/42/27/99/776422799.db2.gz HQEZLGZMRWBJKW-IWIIMEHWSA-N 1 1 310.354 -1.379 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001113793320 776423143 /nfs/dbraw/zinc/42/31/43/776423143.db2.gz IWSFNGNUKDZBRS-CXTNEJHOSA-N 1 1 321.381 -1.574 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001113792856 776423195 /nfs/dbraw/zinc/42/31/95/776423195.db2.gz CXJBXJOFKPPMOV-IMRBUKKESA-N 1 1 308.382 -1.305 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001113794135 776424251 /nfs/dbraw/zinc/42/42/51/776424251.db2.gz XMYNUKBBKFDIOL-PJXYFTJBSA-N 1 1 317.411 -1.396 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001113794135 776424255 /nfs/dbraw/zinc/42/42/55/776424255.db2.gz XMYNUKBBKFDIOL-PJXYFTJBSA-N 1 1 317.411 -1.396 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113809388 776424903 /nfs/dbraw/zinc/42/49/03/776424903.db2.gz HSTYWJKDDIMQDI-DNJQJEMRSA-N 1 1 308.338 -1.151 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113810045 776425073 /nfs/dbraw/zinc/42/50/73/776425073.db2.gz TYTMXEIRKCWOON-WOFXILAISA-N 1 1 305.338 -1.022 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)[nH]n1 ZINC001113810045 776425081 /nfs/dbraw/zinc/42/50/81/776425081.db2.gz TYTMXEIRKCWOON-WOFXILAISA-N 1 1 305.338 -1.022 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cc[n+]([O-])cc1 ZINC001113807546 776425351 /nfs/dbraw/zinc/42/53/51/776425351.db2.gz XWWIRKSSWOTDDL-WDNDVIMCSA-N 1 1 307.350 -1.011 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113825097 776426317 /nfs/dbraw/zinc/42/63/17/776426317.db2.gz HCUFDHGRHIHYFP-HDRXNWCYSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113825097 776426324 /nfs/dbraw/zinc/42/63/24/776426324.db2.gz HCUFDHGRHIHYFP-HDRXNWCYSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113826203 776427473 /nfs/dbraw/zinc/42/74/73/776427473.db2.gz WUUIYOBEAGLGFK-WUWHUORYSA-N 1 1 308.382 -1.210 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnco1 ZINC001090467676 776427588 /nfs/dbraw/zinc/42/75/88/776427588.db2.gz TZSOTRQOUYUPID-QWRGUYRKSA-N 1 1 323.353 -1.135 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC ZINC001113831489 776428027 /nfs/dbraw/zinc/42/80/27/776428027.db2.gz OJKYOGUHZJCXBP-VROVMSAKSA-N 1 1 300.384 -1.149 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC ZINC001113831489 776428034 /nfs/dbraw/zinc/42/80/34/776428034.db2.gz OJKYOGUHZJCXBP-VROVMSAKSA-N 1 1 300.384 -1.149 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833732 776428733 /nfs/dbraw/zinc/42/87/33/776428733.db2.gz IQTNCPRCXLVDQL-VROVMSAKSA-N 1 1 322.329 -2.825 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833732 776428738 /nfs/dbraw/zinc/42/87/38/776428738.db2.gz IQTNCPRCXLVDQL-VROVMSAKSA-N 1 1 322.329 -2.825 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833671 776429171 /nfs/dbraw/zinc/42/91/71/776429171.db2.gz HTAOYSPPJZPVNS-KZWBYHQPSA-N 1 1 321.385 -1.366 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833671 776429173 /nfs/dbraw/zinc/42/91/73/776429173.db2.gz HTAOYSPPJZPVNS-KZWBYHQPSA-N 1 1 321.385 -1.366 20 0 DAADMO Cc1nnsc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113839924 776430063 /nfs/dbraw/zinc/43/00/63/776430063.db2.gz RTDXIJWLIITBNU-QMSLJYSESA-N 1 1 324.366 -1.299 20 0 DAADMO Cc1nnsc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113839924 776430065 /nfs/dbraw/zinc/43/00/65/776430065.db2.gz RTDXIJWLIITBNU-QMSLJYSESA-N 1 1 324.366 -1.299 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001113841616 776430515 /nfs/dbraw/zinc/43/05/15/776430515.db2.gz FCKSIXICFMZLAJ-YABSGUDNSA-N 1 1 323.397 -1.286 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113838376 776430543 /nfs/dbraw/zinc/43/05/43/776430543.db2.gz BJROLSMBDRXWAP-IAZYJMLFSA-N 1 1 320.353 -1.464 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113838376 776430548 /nfs/dbraw/zinc/43/05/48/776430548.db2.gz BJROLSMBDRXWAP-IAZYJMLFSA-N 1 1 320.353 -1.464 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113851944 776431662 /nfs/dbraw/zinc/43/16/62/776431662.db2.gz GSDLMSKZPLMPGJ-IWIIMEHWSA-N 1 1 311.386 -1.527 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113851944 776431668 /nfs/dbraw/zinc/43/16/68/776431668.db2.gz GSDLMSKZPLMPGJ-IWIIMEHWSA-N 1 1 311.386 -1.527 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001113849208 776432435 /nfs/dbraw/zinc/43/24/35/776432435.db2.gz INJPUTKVMLXFSF-YABSGUDNSA-N 1 1 323.397 -1.286 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849335 776432452 /nfs/dbraw/zinc/43/24/52/776432452.db2.gz JYSOFFCSKJGRDQ-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849335 776432457 /nfs/dbraw/zinc/43/24/57/776432457.db2.gz JYSOFFCSKJGRDQ-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001113848907 776432631 /nfs/dbraw/zinc/43/26/31/776432631.db2.gz FXUYDPBABRNFJP-YABSGUDNSA-N 1 1 323.397 -1.383 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001113848907 776432633 /nfs/dbraw/zinc/43/26/33/776432633.db2.gz FXUYDPBABRNFJP-YABSGUDNSA-N 1 1 323.397 -1.383 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113878732 776433304 /nfs/dbraw/zinc/43/33/04/776433304.db2.gz QSCGLKKQKKJIHL-XZUYRWCXSA-N 1 1 306.370 -1.022 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113869859 776433378 /nfs/dbraw/zinc/43/33/78/776433378.db2.gz AMXOPZAZTQEJMA-GDGBQDQQSA-N 1 1 321.341 -2.091 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113869859 776433384 /nfs/dbraw/zinc/43/33/84/776433384.db2.gz AMXOPZAZTQEJMA-GDGBQDQQSA-N 1 1 321.341 -2.091 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113850564 776433710 /nfs/dbraw/zinc/43/37/10/776433710.db2.gz UXVVRDUJFVBLDI-PJXYFTJBSA-N 1 1 321.385 -1.390 20 0 DAADMO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1 ZINC001113850806 776433763 /nfs/dbraw/zinc/43/37/63/776433763.db2.gz ZTFWGRYRLNJNEF-IWIIMEHWSA-N 1 1 320.353 -1.300 20 0 DAADMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1 ZINC001113850806 776433767 /nfs/dbraw/zinc/43/37/67/776433767.db2.gz ZTFWGRYRLNJNEF-IWIIMEHWSA-N 1 1 320.353 -1.300 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850694 776433906 /nfs/dbraw/zinc/43/39/06/776433906.db2.gz XGZNAXUVZSLFFO-IAZYJMLFSA-N 1 1 300.359 -1.636 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113870718 776434692 /nfs/dbraw/zinc/43/46/92/776434692.db2.gz JACBNEALBDTXPZ-CIQGVGRVSA-N 1 1 309.370 -1.278 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113900050 776435465 /nfs/dbraw/zinc/43/54/65/776435465.db2.gz ZLMZMBNLKNKIOU-BBGACYKPSA-N 1 1 322.365 -1.684 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001113901123 776435544 /nfs/dbraw/zinc/43/55/44/776435544.db2.gz DLVKEJRMUUGDBW-IMRBUKKESA-N 1 1 306.370 -1.197 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001113901227 776435577 /nfs/dbraw/zinc/43/55/77/776435577.db2.gz FXWDNMAKKQNLEJ-CZXHOFHRSA-N 1 1 308.382 -1.258 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001113901229 776435901 /nfs/dbraw/zinc/43/59/01/776435901.db2.gz FXWDNMAKKQNLEJ-KZVDOYCCSA-N 1 1 308.382 -1.258 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001113902591 776435925 /nfs/dbraw/zinc/43/59/25/776435925.db2.gz WFDBOYSLCQISAQ-IMRBUKKESA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113916520 776436504 /nfs/dbraw/zinc/43/65/04/776436504.db2.gz OXUZJQZMFVTFNG-PRQTWWFRSA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113916520 776436509 /nfs/dbraw/zinc/43/65/09/776436509.db2.gz OXUZJQZMFVTFNG-PRQTWWFRSA-N 1 1 306.326 -1.347 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113917182 776436667 /nfs/dbraw/zinc/43/66/67/776436667.db2.gz SORRJMIUFJVZHY-SNXWAXQRSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113917182 776436675 /nfs/dbraw/zinc/43/66/75/776436675.db2.gz SORRJMIUFJVZHY-SNXWAXQRSA-N 1 1 320.353 -1.086 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001113915919 776436769 /nfs/dbraw/zinc/43/67/69/776436769.db2.gz JHTOZWIHMQUELB-JYAVWHMHSA-N 1 1 320.393 -1.209 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113913018 776436881 /nfs/dbraw/zinc/43/68/81/776436881.db2.gz GEPRQEHBXUKHEX-IAZYJMLFSA-N 1 1 320.353 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113913018 776436888 /nfs/dbraw/zinc/43/68/88/776436888.db2.gz GEPRQEHBXUKHEX-IAZYJMLFSA-N 1 1 320.353 -1.085 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113937896 776437442 /nfs/dbraw/zinc/43/74/42/776437442.db2.gz NDVMLRWEJWQXBU-JYAVWHMHSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113937896 776437448 /nfs/dbraw/zinc/43/74/48/776437448.db2.gz NDVMLRWEJWQXBU-JYAVWHMHSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(=O)C2CC2)C1=O ZINC001113940030 776438269 /nfs/dbraw/zinc/43/82/69/776438269.db2.gz MCIGRDWMKFRPCN-CZXHOFHRSA-N 1 1 320.393 -1.210 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001113945840 776438684 /nfs/dbraw/zinc/43/86/84/776438684.db2.gz XECKXGFAFFFIPI-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001113947446 776438899 /nfs/dbraw/zinc/43/88/99/776438899.db2.gz AESQFSAXXZRYJN-PJXYFTJBSA-N 1 1 324.381 -1.085 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113946063 776439262 /nfs/dbraw/zinc/43/92/62/776439262.db2.gz ZAZPWQJIGMSMLW-YABSGUDNSA-N 1 1 324.381 -1.085 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113946063 776439269 /nfs/dbraw/zinc/43/92/69/776439269.db2.gz ZAZPWQJIGMSMLW-YABSGUDNSA-N 1 1 324.381 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001113952364 776439760 /nfs/dbraw/zinc/43/97/60/776439760.db2.gz COPOUHNNMZKCJR-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OC ZINC001113952364 776439762 /nfs/dbraw/zinc/43/97/62/776439762.db2.gz COPOUHNNMZKCJR-SVDPJWKOSA-N 1 1 312.370 -1.087 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113951285 776439895 /nfs/dbraw/zinc/43/98/95/776439895.db2.gz XGGFOKMSRHMZJT-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113951285 776439901 /nfs/dbraw/zinc/43/99/01/776439901.db2.gz XGGFOKMSRHMZJT-ODXREFDESA-N 1 1 307.310 -1.082 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001113968208 776440092 /nfs/dbraw/zinc/44/00/92/776440092.db2.gz FZPBVDNXBUSFNM-UUIJZJDISA-N 1 1 313.398 -1.044 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113954220 776440497 /nfs/dbraw/zinc/44/04/97/776440497.db2.gz WKBVORKWMJXIMO-NMKXLXIOSA-N 1 1 311.382 -1.074 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001113954220 776440506 /nfs/dbraw/zinc/44/05/06/776440506.db2.gz WKBVORKWMJXIMO-NMKXLXIOSA-N 1 1 311.382 -1.074 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113983607 776440937 /nfs/dbraw/zinc/44/09/37/776440937.db2.gz XQOCXNWKRBGGDX-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113983607 776440942 /nfs/dbraw/zinc/44/09/42/776440942.db2.gz XQOCXNWKRBGGDX-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)C1=O ZINC001113974402 776440963 /nfs/dbraw/zinc/44/09/63/776440963.db2.gz VBUCIFVIUWCHIL-KLBPJQLPSA-N 1 1 315.395 -1.692 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CS(C)(=O)=O)C1=O ZINC001113974402 776440967 /nfs/dbraw/zinc/44/09/67/776440967.db2.gz VBUCIFVIUWCHIL-KLBPJQLPSA-N 1 1 315.395 -1.692 20 0 DAADMO COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973830 776441312 /nfs/dbraw/zinc/44/13/12/776441312.db2.gz LEXGBYRYEHUDKJ-PJXYFTJBSA-N 1 1 320.411 -1.260 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O ZINC001113973830 776441322 /nfs/dbraw/zinc/44/13/22/776441322.db2.gz LEXGBYRYEHUDKJ-PJXYFTJBSA-N 1 1 320.411 -1.260 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114033807 776442923 /nfs/dbraw/zinc/44/29/23/776442923.db2.gz BRTVVVQGMNXVGY-UVMAFCGOSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114033807 776442927 /nfs/dbraw/zinc/44/29/27/776442927.db2.gz BRTVVVQGMNXVGY-UVMAFCGOSA-N 1 1 309.326 -2.494 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114035503 776443324 /nfs/dbraw/zinc/44/33/24/776443324.db2.gz YAHHPZIJZJRTGK-JYAVWHMHSA-N 1 1 313.398 -1.042 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114044371 776443376 /nfs/dbraw/zinc/44/33/76/776443376.db2.gz GEKFBRCXHNSGKY-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001114034404 776443397 /nfs/dbraw/zinc/44/33/97/776443397.db2.gz IAEWWTGGRCBNIM-CZXHOFHRSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114035318 776443485 /nfs/dbraw/zinc/44/34/85/776443485.db2.gz VSFCHOQXRIIWSH-SREGZZRCSA-N 1 1 323.353 -2.233 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001114035318 776443489 /nfs/dbraw/zinc/44/34/89/776443489.db2.gz VSFCHOQXRIIWSH-SREGZZRCSA-N 1 1 323.353 -2.233 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114056917 776444645 /nfs/dbraw/zinc/44/46/45/776444645.db2.gz FGRQJNYEXZHDGA-HBYGRHMLSA-N 1 1 308.382 -1.162 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114056917 776444648 /nfs/dbraw/zinc/44/46/48/776444648.db2.gz FGRQJNYEXZHDGA-HBYGRHMLSA-N 1 1 308.382 -1.162 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114072633 776445606 /nfs/dbraw/zinc/44/56/06/776445606.db2.gz WIYZGUBUSAHHHR-JYAVWHMHSA-N 1 1 311.382 -1.072 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114058842 776445654 /nfs/dbraw/zinc/44/56/54/776445654.db2.gz XHPPHLHJGMMAOL-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114058842 776445662 /nfs/dbraw/zinc/44/56/62/776445662.db2.gz XHPPHLHJGMMAOL-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114062040 776445864 /nfs/dbraw/zinc/44/58/64/776445864.db2.gz YHIXVWDVNPECKW-AEISUSGSSA-N 1 1 322.365 -1.636 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114072072 776446036 /nfs/dbraw/zinc/44/60/36/776446036.db2.gz MMPXALGFQDGBGE-CIQGVGRVSA-N 1 1 302.371 -1.297 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114058590 776446073 /nfs/dbraw/zinc/44/60/73/776446073.db2.gz WBCPAQASSSYOPA-YABSGUDNSA-N 1 1 306.370 -1.112 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114058590 776446082 /nfs/dbraw/zinc/44/60/82/776446082.db2.gz WBCPAQASSSYOPA-YABSGUDNSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087700 776446553 /nfs/dbraw/zinc/44/65/53/776446553.db2.gz BCTSHYSNNBXIQO-QAHWYCSRSA-N 1 1 320.353 -1.418 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC001114087700 776446561 /nfs/dbraw/zinc/44/65/61/776446561.db2.gz BCTSHYSNNBXIQO-QAHWYCSRSA-N 1 1 320.353 -1.418 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001114086486 776446801 /nfs/dbraw/zinc/44/68/01/776446801.db2.gz XIMVPJDJCIOPQQ-PUHVVEEASA-N 1 1 307.354 -1.834 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114073938 776446821 /nfs/dbraw/zinc/44/68/21/776446821.db2.gz CHMYAPIEDWNTFX-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC001114085888 776446937 /nfs/dbraw/zinc/44/69/37/776446937.db2.gz NSGRJSNMMVGISE-DNJQJEMRSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC001114085888 776446942 /nfs/dbraw/zinc/44/69/42/776446942.db2.gz NSGRJSNMMVGISE-DNJQJEMRSA-N 1 1 310.354 -1.346 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114091095 776447174 /nfs/dbraw/zinc/44/71/74/776447174.db2.gz QJIWABLXGSUQKG-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114091095 776447180 /nfs/dbraw/zinc/44/71/80/776447180.db2.gz QJIWABLXGSUQKG-COMQUAJESA-N 1 1 324.425 -1.110 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114091516 776447214 /nfs/dbraw/zinc/44/72/14/776447214.db2.gz YJVPPDIUVITZJM-RFQIPJPRSA-N 1 1 313.398 -1.628 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)C1=O ZINC001114098293 776447917 /nfs/dbraw/zinc/44/79/17/776447917.db2.gz GBOHPVZRYNZKIO-DEKYYXRVSA-N 1 1 308.382 -1.083 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001114098617 776448161 /nfs/dbraw/zinc/44/81/61/776448161.db2.gz JDXQOELJVLSRJE-KIGUWFBYSA-N 1 1 324.381 -1.939 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001114098617 776448165 /nfs/dbraw/zinc/44/81/65/776448165.db2.gz JDXQOELJVLSRJE-KIGUWFBYSA-N 1 1 324.381 -1.939 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114099275 776448176 /nfs/dbraw/zinc/44/81/76/776448176.db2.gz ULQLOLKCKBQXAO-KZWBYHQPSA-N 1 1 315.370 -2.068 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093807 776449496 /nfs/dbraw/zinc/44/94/96/776449496.db2.gz VUBUKIKZZVIKPQ-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114093807 776449498 /nfs/dbraw/zinc/44/94/98/776449498.db2.gz VUBUKIKZZVIKPQ-JDICNCQASA-N 1 1 311.342 -2.246 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114093551 776449583 /nfs/dbraw/zinc/44/95/83/776449583.db2.gz RAYDUMBESHEMMD-WOFXILAISA-N 1 1 323.353 -2.104 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114093551 776449586 /nfs/dbraw/zinc/44/95/86/776449586.db2.gz RAYDUMBESHEMMD-WOFXILAISA-N 1 1 323.353 -2.104 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001114136178 776450454 /nfs/dbraw/zinc/45/04/54/776450454.db2.gz DGHHYCLBTWSUEZ-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC001114136178 776450457 /nfs/dbraw/zinc/45/04/57/776450457.db2.gz DGHHYCLBTWSUEZ-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114120092 776450756 /nfs/dbraw/zinc/45/07/56/776450756.db2.gz JJVQFVPXWGXDCR-YABSGUDNSA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114120092 776450758 /nfs/dbraw/zinc/45/07/58/776450758.db2.gz JJVQFVPXWGXDCR-YABSGUDNSA-N 1 1 309.370 -1.207 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114120092 776450763 /nfs/dbraw/zinc/45/07/63/776450763.db2.gz JJVQFVPXWGXDCR-YABSGUDNSA-N 1 1 309.370 -1.207 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccnc1 ZINC001114138541 776451711 /nfs/dbraw/zinc/45/17/11/776451711.db2.gz FMFSOKSDXVJARC-YABSGUDNSA-N 1 1 317.349 -1.135 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccnc1 ZINC001114138541 776451713 /nfs/dbraw/zinc/45/17/13/776451713.db2.gz FMFSOKSDXVJARC-YABSGUDNSA-N 1 1 317.349 -1.135 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090475691 776451766 /nfs/dbraw/zinc/45/17/66/776451766.db2.gz JZHIFCSECJPWMV-RYUDHWBXSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090475691 776451769 /nfs/dbraw/zinc/45/17/69/776451769.db2.gz JZHIFCSECJPWMV-RYUDHWBXSA-N 1 1 309.370 -1.029 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114147304 776451831 /nfs/dbraw/zinc/45/18/31/776451831.db2.gz VGKIMUHXMKDODW-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C ZINC001114147304 776451835 /nfs/dbraw/zinc/45/18/35/776451835.db2.gz VGKIMUHXMKDODW-CZXHOFHRSA-N 1 1 310.398 -1.501 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1COC(=O)C1 ZINC001114139788 776451868 /nfs/dbraw/zinc/45/18/68/776451868.db2.gz VFVCEZCYFIMEGO-SKNMHBRKSA-N 1 1 324.337 -1.819 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1COC(=O)C1 ZINC001114139788 776451872 /nfs/dbraw/zinc/45/18/72/776451872.db2.gz VFVCEZCYFIMEGO-SKNMHBRKSA-N 1 1 324.337 -1.819 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC001114140473 776451892 /nfs/dbraw/zinc/45/18/92/776451892.db2.gz GULGBQSBTUYQDV-KLBPJQLPSA-N 1 1 310.354 -1.203 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC001114140473 776451894 /nfs/dbraw/zinc/45/18/94/776451894.db2.gz GULGBQSBTUYQDV-KLBPJQLPSA-N 1 1 310.354 -1.203 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114151158 776453167 /nfs/dbraw/zinc/45/31/67/776453167.db2.gz FCFIFMDRXYUZIY-CXTNEJHOSA-N 1 1 313.398 -1.628 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114152433 776453426 /nfs/dbraw/zinc/45/34/26/776453426.db2.gz YIALWTJEMURZNA-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1 ZINC001114152433 776453433 /nfs/dbraw/zinc/45/34/33/776453433.db2.gz YIALWTJEMURZNA-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114153076 776453466 /nfs/dbraw/zinc/45/34/66/776453466.db2.gz IUPCLFNGTCEQOM-GDGBQDQQSA-N 1 1 308.342 -1.834 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CN=NC1=O ZINC001114153076 776453475 /nfs/dbraw/zinc/45/34/75/776453475.db2.gz IUPCLFNGTCEQOM-GDGBQDQQSA-N 1 1 308.342 -1.834 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001114170613 776455697 /nfs/dbraw/zinc/45/56/97/776455697.db2.gz UANJHLCJLCCXOH-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC001114176706 776457382 /nfs/dbraw/zinc/45/73/82/776457382.db2.gz WPDPCFRBERYTMD-DNJQJEMRSA-N 1 1 311.338 -1.354 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001114177961 776457511 /nfs/dbraw/zinc/45/75/11/776457511.db2.gz GKQWFJMIVRTJAK-HBYGRHMLSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114171428 776457523 /nfs/dbraw/zinc/45/75/23/776457523.db2.gz AEPYJTNSDVIZDG-BBGACYKPSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114178763 776457610 /nfs/dbraw/zinc/45/76/10/776457610.db2.gz SRQKJEJZBZHOSF-LITAXDCLSA-N 1 1 311.342 -2.248 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001114178763 776457613 /nfs/dbraw/zinc/45/76/13/776457613.db2.gz SRQKJEJZBZHOSF-LITAXDCLSA-N 1 1 311.342 -2.248 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114176579 776457627 /nfs/dbraw/zinc/45/76/27/776457627.db2.gz VVUNJARMDBHSHI-MVVXRAEJSA-N 1 1 323.397 -1.384 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001114176579 776457629 /nfs/dbraw/zinc/45/76/29/776457629.db2.gz VVUNJARMDBHSHI-MVVXRAEJSA-N 1 1 323.397 -1.384 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001114177825 776457713 /nfs/dbraw/zinc/45/77/13/776457713.db2.gz DTDYRNJMIWSWET-HBYGRHMLSA-N 1 1 308.382 -1.210 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114172175 776458406 /nfs/dbraw/zinc/45/84/06/776458406.db2.gz PTNWCIQYVLBOPT-HBYGRHMLSA-N 1 1 308.382 -1.162 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001114172175 776458409 /nfs/dbraw/zinc/45/84/09/776458409.db2.gz PTNWCIQYVLBOPT-HBYGRHMLSA-N 1 1 308.382 -1.162 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(=O)NC)C1=O ZINC001114180808 776459764 /nfs/dbraw/zinc/45/97/64/776459764.db2.gz QZVVAGIMDAXXCF-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114203881 776460437 /nfs/dbraw/zinc/46/04/37/776460437.db2.gz KZTFUEOJFLOSPI-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114203881 776460447 /nfs/dbraw/zinc/46/04/47/776460447.db2.gz KZTFUEOJFLOSPI-ODXREFDESA-N 1 1 321.341 -1.942 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114215227 776461654 /nfs/dbraw/zinc/46/16/54/776461654.db2.gz SLCFWGWRCAFPLY-GDGBQDQQSA-N 1 1 312.370 -1.351 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)O ZINC001114215227 776461658 /nfs/dbraw/zinc/46/16/58/776461658.db2.gz SLCFWGWRCAFPLY-GDGBQDQQSA-N 1 1 312.370 -1.351 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114204481 776461685 /nfs/dbraw/zinc/46/16/85/776461685.db2.gz UJXZHGJOWHHLLW-SPFNVWMYSA-N 1 1 310.354 -1.347 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C1CC1 ZINC001114204481 776461690 /nfs/dbraw/zinc/46/16/90/776461690.db2.gz UJXZHGJOWHHLLW-SPFNVWMYSA-N 1 1 310.354 -1.347 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114214690 776462262 /nfs/dbraw/zinc/46/22/62/776462262.db2.gz INTSSAMJZYPKSI-COMAGPEQSA-N 1 1 309.366 -1.001 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC001114204799 776462489 /nfs/dbraw/zinc/46/24/89/776462489.db2.gz ZUHOMMIQFSWTFZ-MIZYBKAJSA-N 1 1 310.354 -1.381 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114214691 776462693 /nfs/dbraw/zinc/46/26/93/776462693.db2.gz INTSSAMJZYPKSI-MPXOCVNLSA-N 1 1 309.366 -1.001 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114217935 776463629 /nfs/dbraw/zinc/46/36/29/776463629.db2.gz XZAWOBITPFCDPF-MBTKJCJQSA-N 1 1 321.341 -2.069 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114217935 776463633 /nfs/dbraw/zinc/46/36/33/776463633.db2.gz XZAWOBITPFCDPF-MBTKJCJQSA-N 1 1 321.341 -2.069 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114226012 776464742 /nfs/dbraw/zinc/46/47/42/776464742.db2.gz FLQOQWQPYGQOSN-MIZYBKAJSA-N 1 1 311.386 -1.384 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114224256 776464748 /nfs/dbraw/zinc/46/47/48/776464748.db2.gz SVICGDAYHBAUFV-HXFLIBJXSA-N 1 1 321.341 -1.942 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC001114224256 776464749 /nfs/dbraw/zinc/46/47/49/776464749.db2.gz SVICGDAYHBAUFV-HXFLIBJXSA-N 1 1 321.341 -1.942 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114224362 776464836 /nfs/dbraw/zinc/46/48/36/776464836.db2.gz VPIAESFXQIVEGR-DCQANWLSSA-N 1 1 314.386 -1.641 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114224055 776464847 /nfs/dbraw/zinc/46/48/47/776464847.db2.gz OZTOORWKNZADPM-SRRSOLGSSA-N 1 1 323.397 -1.370 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC001114245699 776465701 /nfs/dbraw/zinc/46/57/01/776465701.db2.gz MOHWKSRRROACOB-PUHVVEEASA-N 1 1 309.370 -1.291 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC001114245699 776465703 /nfs/dbraw/zinc/46/57/03/776465703.db2.gz MOHWKSRRROACOB-PUHVVEEASA-N 1 1 309.370 -1.291 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC001114245699 776465705 /nfs/dbraw/zinc/46/57/05/776465705.db2.gz MOHWKSRRROACOB-PUHVVEEASA-N 1 1 309.370 -1.291 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114231430 776465773 /nfs/dbraw/zinc/46/57/73/776465773.db2.gz AVRFSDXSYAKZKS-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114231430 776465776 /nfs/dbraw/zinc/46/57/76/776465776.db2.gz AVRFSDXSYAKZKS-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237103 776465929 /nfs/dbraw/zinc/46/59/29/776465929.db2.gz GOTWLUVBUAJUJL-AXTSPUMRSA-N 1 1 320.353 -1.086 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237103 776465930 /nfs/dbraw/zinc/46/59/30/776465930.db2.gz GOTWLUVBUAJUJL-AXTSPUMRSA-N 1 1 320.353 -1.086 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)[nH]1 ZINC001114246651 776465985 /nfs/dbraw/zinc/46/59/85/776465985.db2.gz WTVMAFASFRIOQO-YABSGUDNSA-N 1 1 309.370 -1.289 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)n[nH]1 ZINC001114246651 776465987 /nfs/dbraw/zinc/46/59/87/776465987.db2.gz WTVMAFASFRIOQO-YABSGUDNSA-N 1 1 309.370 -1.289 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)n[nH]1 ZINC001114246651 776465990 /nfs/dbraw/zinc/46/59/90/776465990.db2.gz WTVMAFASFRIOQO-YABSGUDNSA-N 1 1 309.370 -1.289 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114272905 776466753 /nfs/dbraw/zinc/46/67/53/776466753.db2.gz CTYOEAXISRJZEI-IAZYJMLFSA-N 1 1 304.416 -1.209 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114273929 776467063 /nfs/dbraw/zinc/46/70/63/776467063.db2.gz XPUGIJPCKSYWDE-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001114278538 776467719 /nfs/dbraw/zinc/46/77/19/776467719.db2.gz SUXHCKSOYASPDI-DNJQJEMRSA-N 1 1 311.386 -1.384 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001114278538 776467721 /nfs/dbraw/zinc/46/77/21/776467721.db2.gz SUXHCKSOYASPDI-DNJQJEMRSA-N 1 1 311.386 -1.384 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001114278055 776467996 /nfs/dbraw/zinc/46/79/96/776467996.db2.gz LKENOAAETGSTSN-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001114278055 776467999 /nfs/dbraw/zinc/46/79/99/776467999.db2.gz LKENOAAETGSTSN-UUIJZJDISA-N 1 1 311.382 -1.026 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001114278052 776468020 /nfs/dbraw/zinc/46/80/20/776468020.db2.gz LKENOAAETGSTSN-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001114278052 776468027 /nfs/dbraw/zinc/46/80/27/776468027.db2.gz LKENOAAETGSTSN-FJJYHAOUSA-N 1 1 311.382 -1.026 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287257 776469088 /nfs/dbraw/zinc/46/90/88/776469088.db2.gz HVGCTTVZJUZTDS-KZWBYHQPSA-N 1 1 321.385 -1.366 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114287257 776469097 /nfs/dbraw/zinc/46/90/97/776469097.db2.gz HVGCTTVZJUZTDS-KZWBYHQPSA-N 1 1 321.385 -1.366 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001114305934 776469302 /nfs/dbraw/zinc/46/93/02/776469302.db2.gz CBKBDUDENUIUHB-FBSDCJDYSA-N 1 1 322.365 -1.475 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1COC2 ZINC001114305934 776469309 /nfs/dbraw/zinc/46/93/09/776469309.db2.gz CBKBDUDENUIUHB-FBSDCJDYSA-N 1 1 322.365 -1.475 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288280 776469425 /nfs/dbraw/zinc/46/94/25/776469425.db2.gz WBSFENYKCCKOEN-QHOPCYEYSA-N 1 1 322.329 -2.697 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288280 776469431 /nfs/dbraw/zinc/46/94/31/776469431.db2.gz WBSFENYKCCKOEN-QHOPCYEYSA-N 1 1 322.329 -2.697 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288279 776469584 /nfs/dbraw/zinc/46/95/84/776469584.db2.gz WBSFENYKCCKOEN-ODXREFDESA-N 1 1 322.329 -2.697 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288279 776469588 /nfs/dbraw/zinc/46/95/88/776469588.db2.gz WBSFENYKCCKOEN-ODXREFDESA-N 1 1 322.329 -2.697 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114295950 776469716 /nfs/dbraw/zinc/46/97/16/776469716.db2.gz GZPPHDAZHQGZGL-IWIIMEHWSA-N 1 1 307.358 -1.802 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445671 776470279 /nfs/dbraw/zinc/47/02/79/776470279.db2.gz SZXHQFHNZRFUKV-ZJUUUORDSA-N 1 1 316.387 -1.811 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445671 776470283 /nfs/dbraw/zinc/47/02/83/776470283.db2.gz SZXHQFHNZRFUKV-ZJUUUORDSA-N 1 1 316.387 -1.811 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090477360 776470643 /nfs/dbraw/zinc/47/06/43/776470643.db2.gz VKLLZLREEMDVTH-ZJUUUORDSA-N 1 1 320.357 -1.121 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129550465 776472488 /nfs/dbraw/zinc/47/24/88/776472488.db2.gz GLRHBCVSUQGQAV-UHFFFAOYSA-N 1 1 310.358 -1.637 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129546020 776472952 /nfs/dbraw/zinc/47/29/52/776472952.db2.gz DREMARFJUBHTNO-UHFFFAOYSA-N 1 1 309.370 -1.032 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CCOCC2=O)[nH]1 ZINC001129574138 776475447 /nfs/dbraw/zinc/47/54/47/776475447.db2.gz VLRQZIDPEQCTIL-SNVBAGLBSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ncccn1 ZINC001129751033 776478846 /nfs/dbraw/zinc/47/88/46/776478846.db2.gz SKWQKAMWWQQZDN-BDAKNGLRSA-N 1 1 306.326 -1.159 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743770 776479818 /nfs/dbraw/zinc/47/98/18/776479818.db2.gz VSSZGBGCXBUHOQ-VIFPVBQESA-N 1 1 323.357 -1.590 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)nn1 ZINC001129750225 776480522 /nfs/dbraw/zinc/48/05/22/776480522.db2.gz MYQRIQRBPDCETD-VIFPVBQESA-N 1 1 309.330 -1.898 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001129813599 776481299 /nfs/dbraw/zinc/48/12/99/776481299.db2.gz ACERFQUDLCWOGN-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO Cn1cnc(C(=O)NCC[NH2+]Cc2ncnn2CCF)cc1=O ZINC001129814609 776481675 /nfs/dbraw/zinc/48/16/75/776481675.db2.gz WPTVQVXGVYKGNF-UHFFFAOYSA-N 1 1 323.332 -1.139 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810135 776482210 /nfs/dbraw/zinc/48/22/10/776482210.db2.gz QGMZOFJICGDYNF-UHFFFAOYSA-N 1 1 320.357 -1.133 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cc(=O)n(C)cn1)c1nncn1C ZINC001129825447 776483401 /nfs/dbraw/zinc/48/34/01/776483401.db2.gz GVXDFRBIRJVJQH-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129906315 776484625 /nfs/dbraw/zinc/48/46/25/776484625.db2.gz AORYKPAABNGWSR-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO CC(C)C[C@]1(C(=O)NCC[NH2+]Cc2nnnn2C)CCNC1=O ZINC001129875227 776485617 /nfs/dbraw/zinc/48/56/17/776485617.db2.gz KYEIVJLUPKYUCB-CQSZACIVSA-N 1 1 323.401 -1.032 20 0 DAADMO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001129931301 776486484 /nfs/dbraw/zinc/48/64/84/776486484.db2.gz PUOPEJDKEPRVDM-UHFFFAOYSA-N 1 1 310.358 -1.474 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1CCCNC1=O ZINC001129953543 776486765 /nfs/dbraw/zinc/48/67/65/776486765.db2.gz KRLPTYJEAFGQCZ-SNVBAGLBSA-N 1 1 322.369 -1.460 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129954199 776487118 /nfs/dbraw/zinc/48/71/18/776487118.db2.gz BVLQBIOMWUOGQT-MNOVXSKESA-N 1 1 320.357 -1.258 20 0 DAADMO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985259 776487615 /nfs/dbraw/zinc/48/76/15/776487615.db2.gz UIOUIBXLFREADD-ZJUUUORDSA-N 1 1 323.357 -2.369 20 0 DAADMO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129985239 776488226 /nfs/dbraw/zinc/48/82/26/776488226.db2.gz SVIZUVRLHASWBR-YIZRAAEISA-N 1 1 309.330 -2.761 20 0 DAADMO Cn1ccnc1COCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001130037432 776490838 /nfs/dbraw/zinc/49/08/38/776490838.db2.gz MWLHBVRNFFATRI-UHFFFAOYSA-N 1 1 308.346 -1.634 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)COCc2nccn2C)nn1 ZINC001130038859 776491058 /nfs/dbraw/zinc/49/10/58/776491058.db2.gz SXQMEDFNCYADOY-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130081202 776492271 /nfs/dbraw/zinc/49/22/71/776492271.db2.gz CXCSYVQFFXADBZ-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130081202 776492276 /nfs/dbraw/zinc/49/22/76/776492276.db2.gz CXCSYVQFFXADBZ-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)COCc2ccnn2C)n1 ZINC001130121126 776495853 /nfs/dbraw/zinc/49/58/53/776495853.db2.gz OTAVXJLHGVRCRE-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130121439 776495890 /nfs/dbraw/zinc/49/58/90/776495890.db2.gz VAXATTBFAWFTHI-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO NC(=O)C(=O)NCc1nnc([C@@H]2C[N@@H+](CCO)C[C@H]2C2CC2)[nH]1 ZINC001130173295 776496879 /nfs/dbraw/zinc/49/68/79/776496879.db2.gz KHHLUDMCEKFEOU-VHSXEESVSA-N 1 1 322.369 -1.676 20 0 DAADMO NC(=O)C(=O)NCc1nc([C@@H]2C[N@H+](CCO)C[C@H]2C2CC2)n[nH]1 ZINC001130173295 776496882 /nfs/dbraw/zinc/49/68/82/776496882.db2.gz KHHLUDMCEKFEOU-VHSXEESVSA-N 1 1 322.369 -1.676 20 0 DAADMO NC(=O)C(=O)NCc1nc([C@@H]2C[N@@H+](CCO)C[C@H]2C2CC2)n[nH]1 ZINC001130173295 776496889 /nfs/dbraw/zinc/49/68/89/776496889.db2.gz KHHLUDMCEKFEOU-VHSXEESVSA-N 1 1 322.369 -1.676 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@@H]2C[N@H+](CCO)C[C@H]2C2CC2)n1 ZINC001130173295 776496898 /nfs/dbraw/zinc/49/68/98/776496898.db2.gz KHHLUDMCEKFEOU-VHSXEESVSA-N 1 1 322.369 -1.676 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@@H]2C[N@@H+](CCO)C[C@H]2C2CC2)n1 ZINC001130173295 776496902 /nfs/dbraw/zinc/49/69/02/776496902.db2.gz KHHLUDMCEKFEOU-VHSXEESVSA-N 1 1 322.369 -1.676 20 0 DAADMO NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130232904 776498854 /nfs/dbraw/zinc/49/88/54/776498854.db2.gz SMPUDKVSWCCRDV-YUMQZZPRSA-N 1 1 312.330 -2.639 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130232904 776498861 /nfs/dbraw/zinc/49/88/61/776498861.db2.gz SMPUDKVSWCCRDV-YUMQZZPRSA-N 1 1 312.330 -2.639 20 0 DAADMO CNC(=O)C[NH2+]CCNC(=O)C(C)(C)CN1CCOCC1 ZINC001130230425 776498961 /nfs/dbraw/zinc/49/89/61/776498961.db2.gz KZEAKTOOPYGFTB-UHFFFAOYSA-N 1 1 300.403 -1.203 20 0 DAADMO NC(=O)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130232151 776499260 /nfs/dbraw/zinc/49/92/60/776499260.db2.gz AVNQLPLUTCXPIY-YUMQZZPRSA-N 1 1 314.321 -1.662 20 0 DAADMO NC(=O)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130232151 776499265 /nfs/dbraw/zinc/49/92/65/776499265.db2.gz AVNQLPLUTCXPIY-YUMQZZPRSA-N 1 1 314.321 -1.662 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157936533 776499510 /nfs/dbraw/zinc/49/95/10/776499510.db2.gz HBRZINRVUAEINF-WCFLWFBJSA-N 1 1 300.403 -2.062 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H](C)S(C)(=O)=O)nn1 ZINC001130329918 776502607 /nfs/dbraw/zinc/50/26/07/776502607.db2.gz FLYLVQUAXZFZLD-SECBINFHSA-N 1 1 303.388 -1.063 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCNCC(F)(F)C1 ZINC001157944672 776504221 /nfs/dbraw/zinc/50/42/21/776504221.db2.gz JXQXMUQZROYNAY-LLVKDONJSA-N 1 1 305.373 -1.196 20 0 DAADMO COCCS(=O)(=O)CC(=O)NCC[NH2+]Cc1nccn1C ZINC001130333658 776504246 /nfs/dbraw/zinc/50/42/46/776504246.db2.gz HITIUVFOZKXNNP-UHFFFAOYSA-N 1 1 318.399 -1.313 20 0 DAADMO NC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCCO)C1 ZINC001130342658 776505039 /nfs/dbraw/zinc/50/50/39/776505039.db2.gz PAOSJDGNXUPMCA-JTQLQIEISA-N 1 1 324.385 -1.134 20 0 DAADMO NC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130376917 776505262 /nfs/dbraw/zinc/50/52/62/776505262.db2.gz PVKHKLJYZKXXNB-MRVPVSSYSA-N 1 1 308.342 -1.824 20 0 DAADMO NC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001130376917 776505266 /nfs/dbraw/zinc/50/52/66/776505266.db2.gz PVKHKLJYZKXXNB-MRVPVSSYSA-N 1 1 308.342 -1.824 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130381338 776505499 /nfs/dbraw/zinc/50/54/99/776505499.db2.gz WHCDHZACODAXRD-JTQLQIEISA-N 1 1 309.370 -1.056 20 0 DAADMO NC(=O)NCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCCO)C1 ZINC001130342659 776505660 /nfs/dbraw/zinc/50/56/60/776505660.db2.gz PAOSJDGNXUPMCA-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342507 776505702 /nfs/dbraw/zinc/50/57/02/776505702.db2.gz LEWNECZGZWMIGD-UWVGGRQHSA-N 1 1 324.385 -1.136 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1)c1nnnn1C ZINC001130364143 776506989 /nfs/dbraw/zinc/50/69/89/776506989.db2.gz LIFGVWQYAGQNHD-ZJUUUORDSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130380659 776507093 /nfs/dbraw/zinc/50/70/93/776507093.db2.gz FZEIJCSSSDQPDV-VHSXEESVSA-N 1 1 324.385 -1.136 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001130381738 776507176 /nfs/dbraw/zinc/50/71/76/776507176.db2.gz KDADCEAZECNICN-UHFFFAOYSA-N 1 1 312.334 -3.332 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130368187 776507365 /nfs/dbraw/zinc/50/73/65/776507365.db2.gz GGOCQNPROVEQCU-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130368187 776507370 /nfs/dbraw/zinc/50/73/70/776507370.db2.gz GGOCQNPROVEQCU-SECBINFHSA-N 1 1 322.369 -1.563 20 0 DAADMO O=C(Cn1ncnn1)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130389685 776508562 /nfs/dbraw/zinc/50/85/62/776508562.db2.gz ZIBYPCCVGAPWKI-JTQLQIEISA-N 1 1 320.357 -1.506 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001130384362 776508617 /nfs/dbraw/zinc/50/86/17/776508617.db2.gz DTHGZFDNLCWIHK-JTQLQIEISA-N 1 1 322.369 -1.504 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417444 776509156 /nfs/dbraw/zinc/50/91/56/776509156.db2.gz HLBUBINFXKVVMF-IUCAKERBSA-N 1 1 322.369 -1.565 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130441590 776509635 /nfs/dbraw/zinc/50/96/35/776509635.db2.gz IFOBDAWSIYFINH-SECBINFHSA-N 1 1 320.357 -1.419 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130441608 776509698 /nfs/dbraw/zinc/50/96/98/776509698.db2.gz IFOBDAWSIYFINH-VIFPVBQESA-N 1 1 320.357 -1.419 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417949 776509725 /nfs/dbraw/zinc/50/97/25/776509725.db2.gz MFRZVJPPNBAUHO-JGVFFNPUSA-N 1 1 308.342 -1.826 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130417949 776509730 /nfs/dbraw/zinc/50/97/30/776509730.db2.gz MFRZVJPPNBAUHO-JGVFFNPUSA-N 1 1 308.342 -1.826 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001130417995 776509844 /nfs/dbraw/zinc/50/98/44/776509844.db2.gz NQUBMMQTUYLDEZ-SCZZXKLOSA-N 1 1 320.353 -1.811 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090484516 776512079 /nfs/dbraw/zinc/51/20/79/776512079.db2.gz ZTVUNTZKRVRTNN-QWRGUYRKSA-N 1 1 320.357 -1.430 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001090485459 776512791 /nfs/dbraw/zinc/51/27/91/776512791.db2.gz HUJCKLMIJWTSDY-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC001090486277 776514408 /nfs/dbraw/zinc/51/44/08/776514408.db2.gz MTTVRNIDOCIJKO-MNOVXSKESA-N 1 1 306.326 -1.718 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001090485840 776514790 /nfs/dbraw/zinc/51/47/90/776514790.db2.gz KSSHEILTTNPPDZ-UWVGGRQHSA-N 1 1 312.326 -2.357 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130551476 776515047 /nfs/dbraw/zinc/51/50/47/776515047.db2.gz UKXQRVJWCVXZDK-UHFFFAOYSA-N 1 1 309.374 -2.205 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2CCN(C)C(=O)C2)nc1 ZINC001130554082 776516165 /nfs/dbraw/zinc/51/61/65/776516165.db2.gz VCONOHHOGFNYPS-UHFFFAOYSA-N 1 1 320.397 -1.235 20 0 DAADMO CN1CCN(CC(=O)NCC[NH2+]Cc2cnns2)CC1=O ZINC001130553336 776516488 /nfs/dbraw/zinc/51/64/88/776516488.db2.gz DZQQRJIMKYBUSV-UHFFFAOYSA-N 1 1 312.399 -1.482 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1nncn1C ZINC001130588084 776519289 /nfs/dbraw/zinc/51/92/89/776519289.db2.gz MPONWSQQOGUVON-VIFPVBQESA-N 1 1 308.346 -1.823 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CC2CS(=O)(=O)C2)nn1 ZINC001130581250 776520076 /nfs/dbraw/zinc/52/00/76/776520076.db2.gz NAGPULOXZULHFA-UHFFFAOYSA-N 1 1 315.399 -1.062 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090487795 776521117 /nfs/dbraw/zinc/52/11/17/776521117.db2.gz ZXJBSOIICXRWAC-STQMWFEESA-N 1 1 310.398 -1.620 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090487792 776522588 /nfs/dbraw/zinc/52/25/88/776522588.db2.gz ZXJBSOIICXRWAC-CHWSQXEVSA-N 1 1 310.398 -1.620 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090489754 776525577 /nfs/dbraw/zinc/52/55/77/776525577.db2.gz OYTRFMHDOULYDL-RYUDHWBXSA-N 1 1 314.386 -2.648 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)C[C@H](C)O1 ZINC001130752216 776528389 /nfs/dbraw/zinc/52/83/89/776528389.db2.gz SECLODPUFUEHHS-AOOOYVTPSA-N 1 1 310.358 -1.240 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)NCc1cccnc1 ZINC001130743108 776529081 /nfs/dbraw/zinc/52/90/81/776529081.db2.gz POBDZUJYZMTKRJ-UHFFFAOYSA-N 1 1 303.326 -1.165 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748640 776529166 /nfs/dbraw/zinc/52/91/66/776529166.db2.gz IBQXQIPFXRXISS-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748746 776529190 /nfs/dbraw/zinc/52/91/90/776529190.db2.gz LFIHVDGDBGUVPJ-VHSXEESVSA-N 1 1 301.347 -1.464 20 0 DAADMO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)c2cnn[nH]2)C1=O ZINC001130752335 776530473 /nfs/dbraw/zinc/53/04/73/776530473.db2.gz WOUQYNIRGGPWLA-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO CCOC(=O)c1cnc([S@@](C)=O)nc1-n1nnnc1C[NH3+] ZINC001158077827 776530902 /nfs/dbraw/zinc/53/09/02/776530902.db2.gz WZHJMOHUFSADFW-OAQYLSRUSA-N 1 1 311.327 -1.175 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCCCC1=O)c1nnnn1C ZINC001130761895 776531263 /nfs/dbraw/zinc/53/12/63/776531263.db2.gz IMJLQTJEJPIDRP-SNVBAGLBSA-N 1 1 309.374 -1.011 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130786216 776533018 /nfs/dbraw/zinc/53/30/18/776533018.db2.gz ANQXZFMZKLMPPO-UHFFFAOYSA-N 1 1 324.389 -1.296 20 0 DAADMO CNC(=O)NC(=O)CNCCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805711 776533866 /nfs/dbraw/zinc/53/38/66/776533866.db2.gz JJQHEGLRZIRWBE-UHFFFAOYSA-N 1 1 311.386 -1.224 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001130892151 776542598 /nfs/dbraw/zinc/54/25/98/776542598.db2.gz PBTPHEOQBFFUIC-UHFFFAOYSA-N 1 1 306.330 -1.833 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O)c1nnnn1C ZINC001130938975 776544462 /nfs/dbraw/zinc/54/44/62/776544462.db2.gz ZXBUMGYYMRPMPA-MRVPVSSYSA-N 1 1 322.329 -2.061 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001130892356 776544944 /nfs/dbraw/zinc/54/49/44/776544944.db2.gz YQNNSCMWCSORBI-UHFFFAOYSA-N 1 1 305.342 -1.228 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)nn1C ZINC001130944478 776546739 /nfs/dbraw/zinc/54/67/39/776546739.db2.gz QUCNQHPEUYGJED-UHFFFAOYSA-N 1 1 320.353 -1.103 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCN2C(=O)CCC2=O)[nH]1 ZINC001130994869 776548337 /nfs/dbraw/zinc/54/83/37/776548337.db2.gz QVWHKFPBIJFZTM-UHFFFAOYSA-N 1 1 308.342 -1.142 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)C2)[nH]1 ZINC001130997591 776551361 /nfs/dbraw/zinc/55/13/61/776551361.db2.gz BVQFJJUHDLRPQU-VIFPVBQESA-N 1 1 301.372 -1.246 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC001130998310 776552926 /nfs/dbraw/zinc/55/29/26/776552926.db2.gz NYERXGTYJRGJSJ-SNVBAGLBSA-N 1 1 315.399 -1.062 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011221 776552942 /nfs/dbraw/zinc/55/29/42/776552942.db2.gz RNGNRFXTGAFNAB-JTQLQIEISA-N 1 1 309.374 -1.188 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)o1)c1nnnn1C ZINC001131101494 776555984 /nfs/dbraw/zinc/55/59/84/776555984.db2.gz IQWDUGWXYYXLON-ZETCQYMHSA-N 1 1 307.314 -1.017 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccnc2n[nH]nc21)c1nnnn1C ZINC001131170791 776557838 /nfs/dbraw/zinc/55/78/38/776557838.db2.gz FMPULHJAGPSSSE-SSDOTTSWSA-N 1 1 316.329 -1.043 20 0 DAADMO Cc1cnc(COCC(=O)NCC[NH2+]Cc2nnnn2C)o1 ZINC001131165172 776558889 /nfs/dbraw/zinc/55/88/89/776558889.db2.gz MKZRGOBGWCCMDR-UHFFFAOYSA-N 1 1 309.330 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498393 776559528 /nfs/dbraw/zinc/55/95/28/776559528.db2.gz BNJVPVKCUWXWJJ-OJROKELRSA-N 1 1 311.382 -1.482 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC001090498393 776559534 /nfs/dbraw/zinc/55/95/34/776559534.db2.gz BNJVPVKCUWXWJJ-OJROKELRSA-N 1 1 311.382 -1.482 20 0 DAADMO NC(=O)NCC(=O)N1CCC(=O)NCC[N@@H+](CCCF)CC1 ZINC001131331365 776563008 /nfs/dbraw/zinc/56/30/08/776563008.db2.gz KQYSJJDCNDSQOP-UHFFFAOYSA-N 1 1 317.365 -1.335 20 0 DAADMO NC(=O)NCC(=O)N1CCC(=O)NCC[N@H+](CCCF)CC1 ZINC001131331365 776563013 /nfs/dbraw/zinc/56/30/13/776563013.db2.gz KQYSJJDCNDSQOP-UHFFFAOYSA-N 1 1 317.365 -1.335 20 0 DAADMO COc1c[nH]c(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)cc1=O ZINC001131360893 776567111 /nfs/dbraw/zinc/56/71/11/776567111.db2.gz UKHOWLJQILQLHM-QMMMGPOBSA-N 1 1 321.341 -1.012 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131351628 776567927 /nfs/dbraw/zinc/56/79/27/776567927.db2.gz UNSGGZQNDRANFW-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131351628 776567932 /nfs/dbraw/zinc/56/79/32/776567932.db2.gz UNSGGZQNDRANFW-UHFFFAOYSA-N 1 1 314.386 -1.845 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@@H]2O)n1 ZINC001090500479 776570342 /nfs/dbraw/zinc/57/03/42/776570342.db2.gz OPJICOQHVNWUEU-NEPJUHHUSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001131488331 776572089 /nfs/dbraw/zinc/57/20/89/776572089.db2.gz GSVZYHQMHMCVDR-NEPJUHHUSA-N 1 1 324.385 -1.166 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131488668 776572488 /nfs/dbraw/zinc/57/24/88/776572488.db2.gz RFIKSDSOGJPTOQ-MNOVXSKESA-N 1 1 324.385 -1.166 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)n1C ZINC001131545377 776574349 /nfs/dbraw/zinc/57/43/49/776574349.db2.gz PAAQXGDOAMYKNK-UHFFFAOYSA-N 1 1 319.369 -1.009 20 0 DAADMO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520264 776574721 /nfs/dbraw/zinc/57/47/21/776574721.db2.gz WIXOICMMMNJTLG-GLWUULTISA-N 1 1 320.397 -1.116 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)ncc1=O ZINC001131536714 776576298 /nfs/dbraw/zinc/57/62/98/776576298.db2.gz PATHTJXVRZZBFI-UHFFFAOYSA-N 1 1 318.341 -1.379 20 0 DAADMO CS(=O)(=O)c1nc2c(c(-n3nncc3CN)n1)CC[NH2+]CC2 ZINC001158420776 776576420 /nfs/dbraw/zinc/57/64/20/776576420.db2.gz ZTNAARCKNIBYQD-UHFFFAOYSA-N 1 1 323.382 -1.392 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)cn1)c1nncn1C ZINC001131540359 776576526 /nfs/dbraw/zinc/57/65/26/776576526.db2.gz YCTPGZMGXFWWQP-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO CCn1cc(CC(=O)NCC[NH2+][C@H](C)c2nnnn2C)nn1 ZINC001131621808 776576875 /nfs/dbraw/zinc/57/68/75/776576875.db2.gz GWVSDIKKQDOPSH-SECBINFHSA-N 1 1 307.362 -1.169 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001131633298 776578433 /nfs/dbraw/zinc/57/84/33/776578433.db2.gz PFJZYWONZGFYEA-ZWNOBZJWSA-N 1 1 300.359 -1.661 20 0 DAADMO Cc1nc2n(n1)C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001131637009 776578860 /nfs/dbraw/zinc/57/88/60/776578860.db2.gz WHVCNPSQRYGMIY-JTQLQIEISA-N 1 1 319.373 -1.422 20 0 DAADMO COCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131631715 776579333 /nfs/dbraw/zinc/57/93/33/776579333.db2.gz IDODOCGAQNZKJP-BXUZGUMPSA-N 1 1 314.386 -1.007 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)nn1 ZINC001131672028 776580858 /nfs/dbraw/zinc/58/08/58/776580858.db2.gz IJVGGGZQRIXZNZ-NSHDSACASA-N 1 1 318.341 -1.600 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131677136 776582078 /nfs/dbraw/zinc/58/20/78/776582078.db2.gz OGVZJUFQKISFTB-CYBMUJFWSA-N 1 1 309.374 -1.014 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131690025 776582418 /nfs/dbraw/zinc/58/24/18/776582418.db2.gz PONPOFHIHYANJY-CYBMUJFWSA-N 1 1 309.374 -1.185 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)S(N)(=O)=O ZINC001131777477 776585465 /nfs/dbraw/zinc/58/54/65/776585465.db2.gz MKCUYABCNQXFFY-SNVBAGLBSA-N 1 1 318.403 -1.522 20 0 DAADMO CCC[C@@H](C(=O)NCC[NH2+]Cc1cnn(C)n1)S(N)(=O)=O ZINC001131777476 776586175 /nfs/dbraw/zinc/58/61/75/776586175.db2.gz MKCUYABCNQXFFY-JTQLQIEISA-N 1 1 318.403 -1.522 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)n1 ZINC001131763540 776587803 /nfs/dbraw/zinc/58/78/03/776587803.db2.gz XTBVCEIHTGHKQM-UHFFFAOYSA-N 1 1 322.373 -1.511 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CCOCCO ZINC001131792649 776587825 /nfs/dbraw/zinc/58/78/25/776587825.db2.gz MCSVLPAABXLURE-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CNC(N)=O)C[N@H+]1CCn1cncn1 ZINC001131792446 776588238 /nfs/dbraw/zinc/58/82/38/776588238.db2.gz KZZKXNCJMVAVFH-QWRGUYRKSA-N 1 1 309.374 -1.085 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)n1 ZINC001131763290 776588269 /nfs/dbraw/zinc/58/82/69/776588269.db2.gz RTRQPDUBSGNPHY-UHFFFAOYSA-N 1 1 307.358 -1.389 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CCn1cncn1 ZINC001131792442 776588964 /nfs/dbraw/zinc/58/89/64/776588964.db2.gz KZZKXNCJMVAVFH-GHMZBOCLSA-N 1 1 309.374 -1.085 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1nnc(C)[nH]1)S(N)(=O)=O ZINC001131777944 776589763 /nfs/dbraw/zinc/58/97/63/776589763.db2.gz ZWBJDUVUBIXQJU-SECBINFHSA-N 1 1 318.403 -1.224 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@@H+]1CC(=O)N1CCC1 ZINC001131793541 776590234 /nfs/dbraw/zinc/59/02/34/776590234.db2.gz UPDRERFSCZLQBR-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CC(=O)N1CCC1 ZINC001131793541 776590240 /nfs/dbraw/zinc/59/02/40/776590240.db2.gz UPDRERFSCZLQBR-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001131784007 776590723 /nfs/dbraw/zinc/59/07/23/776590723.db2.gz MPXOXMNNRWOMGP-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001131784007 776590731 /nfs/dbraw/zinc/59/07/31/776590731.db2.gz MPXOXMNNRWOMGP-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)C[N@H+]1CCOCCO ZINC001131783537 776590893 /nfs/dbraw/zinc/59/08/93/776590893.db2.gz FRNRJLUDFXKAFS-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001131828340 776592316 /nfs/dbraw/zinc/59/23/16/776592316.db2.gz LPEPMCVJVJGYCL-UHFFFAOYSA-N 1 1 305.364 -2.925 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nccs1 ZINC001131828593 776593482 /nfs/dbraw/zinc/59/34/82/776593482.db2.gz WFHRORVYQKUOFC-UHFFFAOYSA-N 1 1 307.401 -1.597 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001131828414 776593659 /nfs/dbraw/zinc/59/36/59/776593659.db2.gz PHCKQFFUUXKPSP-UHFFFAOYSA-N 1 1 304.376 -2.320 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncc(C)s1 ZINC001131831749 776594025 /nfs/dbraw/zinc/59/40/25/776594025.db2.gz OTODHEXFPPTPCV-UHFFFAOYSA-N 1 1 321.428 -1.289 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001131831840 776594064 /nfs/dbraw/zinc/59/40/64/776594064.db2.gz SJANSQHAKGRSKI-UHFFFAOYSA-N 1 1 305.364 -2.627 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001131831437 776594846 /nfs/dbraw/zinc/59/48/46/776594846.db2.gz COAQXMCGYHGVRU-UHFFFAOYSA-N 1 1 318.403 -2.012 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001131831788 776595025 /nfs/dbraw/zinc/59/50/25/776595025.db2.gz QGZSZZPLHKHSIK-UHFFFAOYSA-N 1 1 316.387 -1.955 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131869282 776598086 /nfs/dbraw/zinc/59/80/86/776598086.db2.gz BWBFHKPJESTYQK-SNVBAGLBSA-N 1 1 315.399 -1.012 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503424 776600057 /nfs/dbraw/zinc/60/00/57/776600057.db2.gz JDHBTQXOSYCWDB-BJJPWKGXSA-N 1 1 321.381 -1.278 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCN1C(=O)CCC1=O ZINC001131968068 776601227 /nfs/dbraw/zinc/60/12/27/776601227.db2.gz LBDSOZIMPUTMJZ-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C[N@H+]1CCN1CCNC1=O ZINC001131965425 776602089 /nfs/dbraw/zinc/60/20/89/776602089.db2.gz VKQNHCFSWOMDLL-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132079354 776604683 /nfs/dbraw/zinc/60/46/83/776604683.db2.gz XCVGSCFGMJMTAQ-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C[N@H+]1CC(N)=O ZINC001132079354 776604688 /nfs/dbraw/zinc/60/46/88/776604688.db2.gz XCVGSCFGMJMTAQ-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCO)C1 ZINC001132131982 776606994 /nfs/dbraw/zinc/60/69/94/776606994.db2.gz MZNASMMTMQYKDH-ZYHUDNBSSA-N 1 1 314.386 -1.800 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCO)C1 ZINC001132199618 776611786 /nfs/dbraw/zinc/61/17/86/776611786.db2.gz KRQFNQUKKZRFIK-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132252184 776613000 /nfs/dbraw/zinc/61/30/00/776613000.db2.gz BTMRZISBEPANJH-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C[N@H+]1CC(N)=O ZINC001132252184 776613009 /nfs/dbraw/zinc/61/30/09/776613009.db2.gz BTMRZISBEPANJH-NXEZZACHSA-N 1 1 320.415 -1.491 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001132252273 776613751 /nfs/dbraw/zinc/61/37/51/776613751.db2.gz CBWPECAUKHTMPF-ZYHUDNBSSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C)c1nnnn1C ZINC001132257609 776615478 /nfs/dbraw/zinc/61/54/78/776615478.db2.gz MKXFZERQEILKBV-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2ccn3nnnc3c2)n1 ZINC001132271888 776616041 /nfs/dbraw/zinc/61/60/41/776616041.db2.gz GSUWNTGUWIYGKQ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317299 776616585 /nfs/dbraw/zinc/61/65/85/776616585.db2.gz BENHXUXXXHMENQ-UHFFFAOYSA-N 1 1 309.374 -2.064 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)nn1C ZINC001132317535 776617746 /nfs/dbraw/zinc/61/77/46/776617746.db2.gz HOQQCFCCJARBOK-UHFFFAOYSA-N 1 1 308.386 -1.634 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1nncn1C ZINC001132318435 776618823 /nfs/dbraw/zinc/61/88/23/776618823.db2.gz ZSMXJFKCVIBXDT-JTQLQIEISA-N 1 1 309.374 -1.986 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001132337168 776618919 /nfs/dbraw/zinc/61/89/19/776618919.db2.gz HGAAWAKIDYJQSL-NXEZZACHSA-N 1 1 312.349 -1.035 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)nn1 ZINC001132318092 776618949 /nfs/dbraw/zinc/61/89/49/776618949.db2.gz RPANOANTAFOCRT-UHFFFAOYSA-N 1 1 323.401 -1.503 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132338243 776618996 /nfs/dbraw/zinc/61/89/96/776618996.db2.gz SAXOQOUOPWJNJK-ZJUUUORDSA-N 1 1 322.369 -1.474 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001132350846 776621493 /nfs/dbraw/zinc/62/14/93/776621493.db2.gz XWQIJEXUURQYIT-VIFPVBQESA-N 1 1 310.358 -1.474 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100185686 776622418 /nfs/dbraw/zinc/62/24/18/776622418.db2.gz KQUCPNHYIWSVFY-ILDUYXDCSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCNC1=O)c1nnnn1C1CC1 ZINC001132358844 776623896 /nfs/dbraw/zinc/62/38/96/776623896.db2.gz INCZAXXIJGDRGS-WPRPVWTQSA-N 1 1 307.358 -1.089 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCNC1=O)c1nnnn1C1CC1 ZINC001132358843 776623919 /nfs/dbraw/zinc/62/39/19/776623919.db2.gz INCZAXXIJGDRGS-WCBMZHEXSA-N 1 1 307.358 -1.089 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132376046 776626407 /nfs/dbraw/zinc/62/64/07/776626407.db2.gz MMYZSBXSJGCNPQ-SNVBAGLBSA-N 1 1 309.374 -1.185 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C(C)(C)C)NC1=O ZINC001132382770 776628509 /nfs/dbraw/zinc/62/85/09/776628509.db2.gz QUTMROLPYNMULH-VIFPVBQESA-N 1 1 324.389 -1.343 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)NC1=O ZINC001132382755 776628554 /nfs/dbraw/zinc/62/85/54/776628554.db2.gz QJJWCWSFBJHHEH-VIFPVBQESA-N 1 1 323.357 -1.962 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C[N@H+]1CCO ZINC001132458143 776629397 /nfs/dbraw/zinc/62/93/97/776629397.db2.gz QFPYAWSPQCNSQU-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523381 776631736 /nfs/dbraw/zinc/63/17/36/776631736.db2.gz GWLGWUIOSYAKIQ-UHFFFAOYSA-N 1 1 307.362 -1.023 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]Cc2cn(CC3CC3)nn2)n1 ZINC001132523419 776632503 /nfs/dbraw/zinc/63/25/03/776632503.db2.gz IIDMBIDSILRLFI-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132600708 776635625 /nfs/dbraw/zinc/63/56/25/776635625.db2.gz YVKJOXOYIVOJAL-PWSUYJOCSA-N 1 1 323.401 -1.080 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2ncnn2CCF)C1=O ZINC001132609029 776637744 /nfs/dbraw/zinc/63/77/44/776637744.db2.gz OODSKWIWEIEOLZ-JTQLQIEISA-N 1 1 312.349 -1.068 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1=O ZINC001132608763 776637824 /nfs/dbraw/zinc/63/78/24/776637824.db2.gz IMDZLDVPASQEJI-JTQLQIEISA-N 1 1 322.369 -1.508 20 0 DAADMO CN1CC[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1=O ZINC001132608764 776637883 /nfs/dbraw/zinc/63/78/83/776637883.db2.gz IMDZLDVPASQEJI-SNVBAGLBSA-N 1 1 322.369 -1.508 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132762756 776639298 /nfs/dbraw/zinc/63/92/98/776639298.db2.gz PXKSZZBTTOTWIR-SNVBAGLBSA-N 1 1 307.358 -1.165 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNCc2nnnn2C)C1 ZINC001132858716 776642064 /nfs/dbraw/zinc/64/20/64/776642064.db2.gz GGHPCEPKUPBXNG-NSHDSACASA-N 1 1 311.390 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132919660 776645191 /nfs/dbraw/zinc/64/51/91/776645191.db2.gz CVLGFUBPOOEJHL-VIFPVBQESA-N 1 1 319.373 -1.651 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCc3nnn(C)c3C2)n1 ZINC001132919446 776645326 /nfs/dbraw/zinc/64/53/26/776645326.db2.gz ADZHHAXCTNGEIO-SNVBAGLBSA-N 1 1 318.385 -1.046 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccoc1CC(N)=O)c1nnnn1C ZINC001132950999 776646407 /nfs/dbraw/zinc/64/64/07/776646407.db2.gz XJZCFCJIQCMQRR-MRVPVSSYSA-N 1 1 321.341 -1.089 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132947119 776646811 /nfs/dbraw/zinc/64/68/11/776646811.db2.gz FJSUQKGPAKJEBN-UHFFFAOYSA-N 1 1 306.326 -1.045 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2ccoc2CC(N)=O)nn1 ZINC001132949920 776647274 /nfs/dbraw/zinc/64/72/74/776647274.db2.gz JIHGHRZOOVYPME-UHFFFAOYSA-N 1 1 306.326 -1.045 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2ccoc2CC(N)=O)n1 ZINC001132946823 776647515 /nfs/dbraw/zinc/64/75/15/776647515.db2.gz AQZDHFZVNBSYMV-UHFFFAOYSA-N 1 1 306.326 -1.045 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COc1cnn(C)c1)c1nnnn1C ZINC001132964631 776648456 /nfs/dbraw/zinc/64/84/56/776648456.db2.gz XQZDMMIDWXWOSK-SECBINFHSA-N 1 1 308.346 -1.211 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001132998752 776648657 /nfs/dbraw/zinc/64/86/57/776648657.db2.gz YCRWPOSOWFORFF-SSDOTTSWSA-N 1 1 309.330 -1.875 20 0 DAADMO CN(C)Cc1ccoc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132983622 776649436 /nfs/dbraw/zinc/64/94/36/776649436.db2.gz FDZQGSQQZGRXAQ-UHFFFAOYSA-N 1 1 311.342 -1.145 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111463 776651811 /nfs/dbraw/zinc/65/18/11/776651811.db2.gz CQVHCRYWVYJQEM-SECBINFHSA-N 1 1 309.374 -1.080 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)nnc1C1CCC1 ZINC001133115274 776653709 /nfs/dbraw/zinc/65/37/09/776653709.db2.gz JKPJNRLXHMZAQM-JTQLQIEISA-N 1 1 321.385 -1.030 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115280 776653780 /nfs/dbraw/zinc/65/37/80/776653780.db2.gz JMZJUTSJNVXVQZ-SECBINFHSA-N 1 1 307.358 -1.420 20 0 DAADMO O=C(NCC[NH2+]Cc1noc2c1COCC2)[C@@H]1CNC(=O)N1 ZINC001133115442 776653983 /nfs/dbraw/zinc/65/39/83/776653983.db2.gz NAIKCHSZPFIDEU-JTQLQIEISA-N 1 1 309.326 -1.366 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133129002 776657306 /nfs/dbraw/zinc/65/73/06/776657306.db2.gz SQNUCULMUVJAQO-MRVPVSSYSA-N 1 1 310.362 -1.685 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133129058 776657644 /nfs/dbraw/zinc/65/76/44/776657644.db2.gz UXORAUATEXXGQV-JTQLQIEISA-N 1 1 309.374 -1.179 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)nn1 ZINC001133152377 776657931 /nfs/dbraw/zinc/65/79/31/776657931.db2.gz YZWNQWXTPMRRQB-UHFFFAOYSA-N 1 1 318.403 -1.428 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)nnc1C1CC1 ZINC001133128695 776657937 /nfs/dbraw/zinc/65/79/37/776657937.db2.gz LICFJBMNWZOAPM-VIFPVBQESA-N 1 1 307.358 -1.420 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148136 776658848 /nfs/dbraw/zinc/65/88/48/776658848.db2.gz HQHZHXJTCCBELT-UHFFFAOYSA-N 1 1 305.364 -2.515 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133187875 776659767 /nfs/dbraw/zinc/65/97/67/776659767.db2.gz KCIBDPXIRQNNHI-UHFFFAOYSA-N 1 1 309.374 -1.101 20 0 DAADMO CN(C)S(=O)(=O)c1cc(C[NH2+]CCNC(=O)C(N)=O)co1 ZINC001133193745 776661776 /nfs/dbraw/zinc/66/17/76/776661776.db2.gz YXIHOWMOCDMUCZ-UHFFFAOYSA-N 1 1 318.355 -1.779 20 0 DAADMO CCNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC001133255706 776662919 /nfs/dbraw/zinc/66/29/19/776662919.db2.gz UOKRBUWSUUJNDY-LBPRGKRZSA-N 1 1 324.385 -1.701 20 0 DAADMO CC[C@H]([NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(N)=O ZINC001133254672 776663756 /nfs/dbraw/zinc/66/37/56/776663756.db2.gz FBMHVAPNZLOCND-RYUDHWBXSA-N 1 1 324.385 -1.573 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133335368 776665118 /nfs/dbraw/zinc/66/51/18/776665118.db2.gz RAXQWMORDHDJOC-JTQLQIEISA-N 1 1 316.358 -1.531 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)=NC1=O ZINC001133350684 776665251 /nfs/dbraw/zinc/66/52/51/776665251.db2.gz KKESSUAOWNXURB-UHFFFAOYSA-N 1 1 309.326 -1.406 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CCNC1=O ZINC001133754790 776675121 /nfs/dbraw/zinc/67/51/21/776675121.db2.gz XHHXZSUVUZKRFE-AWEZNQCLSA-N 1 1 322.369 -1.460 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CCNC1=O ZINC001133753426 776675668 /nfs/dbraw/zinc/67/56/68/776675668.db2.gz JQLDORJKFWMURN-ZDUSSCGKSA-N 1 1 312.349 -1.020 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133752960 776675702 /nfs/dbraw/zinc/67/57/02/776675702.db2.gz HFUVTBYWBIATTQ-CYBMUJFWSA-N 1 1 309.374 -1.014 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001133776662 776677077 /nfs/dbraw/zinc/67/70/77/776677077.db2.gz HGTMIQLEJMRLQW-WDEREUQCSA-N 1 1 310.358 -1.463 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nncn1C ZINC001133773534 776677609 /nfs/dbraw/zinc/67/76/09/776677609.db2.gz JDTFWZWWYKVYOQ-LPEHRKFASA-N 1 1 310.358 -1.385 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774297 776677627 /nfs/dbraw/zinc/67/76/27/776677627.db2.gz UKRHAOFUCUMNPP-WDEREUQCSA-N 1 1 324.385 -1.073 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001133790546 776678726 /nfs/dbraw/zinc/67/87/26/776678726.db2.gz QONDCLQXCGPAGS-BDAKNGLRSA-N 1 1 313.362 -1.061 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)O1 ZINC001133791414 776678876 /nfs/dbraw/zinc/67/88/76/776678876.db2.gz KCXBWHTYEAXDEZ-MNOVXSKESA-N 1 1 324.385 -1.343 20 0 DAADMO COC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001133790547 776679509 /nfs/dbraw/zinc/67/95/09/776679509.db2.gz QONDCLQXCGPAGS-DTWKUNHWSA-N 1 1 313.362 -1.061 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCc1cnn(C)n1)c1nnnn1C ZINC001133917842 776682595 /nfs/dbraw/zinc/68/25/95/776682595.db2.gz HSGVGFZEOAOTCQ-SECBINFHSA-N 1 1 307.362 -1.262 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1nnnn1C ZINC001133936466 776682964 /nfs/dbraw/zinc/68/29/64/776682964.db2.gz OUCGYLBDEOLYBM-BBBLOLIVSA-N 1 1 309.374 -1.122 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001134016377 776686746 /nfs/dbraw/zinc/68/67/46/776686746.db2.gz GEPYFSFSSFRYBO-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001134016377 776686750 /nfs/dbraw/zinc/68/67/50/776686750.db2.gz GEPYFSFSSFRYBO-JTQLQIEISA-N 1 1 315.399 -1.122 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCc1c[nH]nn1 ZINC001134016876 776687029 /nfs/dbraw/zinc/68/70/29/776687029.db2.gz VOEFKTYNBQKXAP-GFCCVEGCSA-N 1 1 315.374 -1.533 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCc1cnn[nH]1 ZINC001134016876 776687033 /nfs/dbraw/zinc/68/70/33/776687033.db2.gz VOEFKTYNBQKXAP-GFCCVEGCSA-N 1 1 315.374 -1.533 20 0 DAADMO CS(=O)(=O)CCC[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725856 776688835 /nfs/dbraw/zinc/68/88/35/776688835.db2.gz FZXYNVVCTNDXQL-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCc3nnnn3CC2)n1 ZINC001134098487 776691243 /nfs/dbraw/zinc/69/12/43/776691243.db2.gz CVQYMLBXNIDQIX-SNVBAGLBSA-N 1 1 319.373 -1.340 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001134138490 776694616 /nfs/dbraw/zinc/69/46/16/776694616.db2.gz CNCABWGJJLJSQS-UHFFFAOYSA-N 1 1 319.369 -1.001 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nccn1C ZINC001134352055 776697851 /nfs/dbraw/zinc/69/78/51/776697851.db2.gz ICPYLSYOJMZGDU-VIFPVBQESA-N 1 1 303.388 -1.436 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353681 776699135 /nfs/dbraw/zinc/69/91/35/776699135.db2.gz WHAKNLFXGCCTHM-ZETCQYMHSA-N 1 1 304.376 -1.743 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)c1nncn1C ZINC001134352836 776699886 /nfs/dbraw/zinc/69/98/86/776699886.db2.gz OIMOOYLPNPRYIN-BDAKNGLRSA-N 1 1 318.403 -1.480 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O)s1 ZINC001134354014 776699960 /nfs/dbraw/zinc/69/99/60/776699960.db2.gz YTYSWYAJZBRNCW-SSDOTTSWSA-N 1 1 321.428 -1.010 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1ncnn1 ZINC001134380286 776701046 /nfs/dbraw/zinc/70/10/46/776701046.db2.gz PXDSUQYGJWFIMO-RKDXNWHRSA-N 1 1 308.350 -1.730 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1nnn(C)n1 ZINC001134380283 776701321 /nfs/dbraw/zinc/70/13/21/776701321.db2.gz PXDSUQYGJWFIMO-BDAKNGLRSA-N 1 1 308.350 -1.730 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cnc[nH]1 ZINC001134406900 776702899 /nfs/dbraw/zinc/70/28/99/776702899.db2.gz HHMPGDBDVKGUPY-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1nccn1 ZINC001134462516 776704603 /nfs/dbraw/zinc/70/46/03/776704603.db2.gz SMVLIKRNCHAPPK-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1nccn1 ZINC001134462517 776704679 /nfs/dbraw/zinc/70/46/79/776704679.db2.gz SMVLIKRNCHAPPK-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001134455301 776704719 /nfs/dbraw/zinc/70/47/19/776704719.db2.gz DRTLVLAVDHVCKD-JTQLQIEISA-N 1 1 308.342 -1.293 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 ZINC001134456222 776705084 /nfs/dbraw/zinc/70/50/84/776705084.db2.gz QKRVUJWCKXHZBA-VIFPVBQESA-N 1 1 306.326 -1.411 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnns1 ZINC001134487541 776706912 /nfs/dbraw/zinc/70/69/12/776706912.db2.gz PRCNSOXWNWPLLF-UHFFFAOYSA-N 1 1 322.416 -1.860 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461093 776707108 /nfs/dbraw/zinc/70/71/08/776707108.db2.gz OJSAXNHRJMCXTI-VIFPVBQESA-N 1 1 308.342 -1.293 20 0 DAADMO CCCN1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC1=O ZINC001134508054 776708014 /nfs/dbraw/zinc/70/80/14/776708014.db2.gz RHYHXPLXVTWFEC-SNVBAGLBSA-N 1 1 309.374 -1.326 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001134487697 776709187 /nfs/dbraw/zinc/70/91/87/776709187.db2.gz ZBLYUJPOBQKSBN-UHFFFAOYSA-N 1 1 319.391 -2.583 20 0 DAADMO Cc1ccn(CC(=O)NCC[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001134534788 776710299 /nfs/dbraw/zinc/71/02/99/776710299.db2.gz OMJWUHOAKQPULM-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714141 776719264 /nfs/dbraw/zinc/71/92/64/776719264.db2.gz AVLHYDPZAMWUIG-UHFFFAOYSA-N 1 1 323.313 -2.559 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)[nH]1 ZINC001134665669 776719852 /nfs/dbraw/zinc/71/98/52/776719852.db2.gz QGUGBHQRFLEJSP-UHFFFAOYSA-N 1 1 321.341 -1.970 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)n1 ZINC001134714182 776720160 /nfs/dbraw/zinc/72/01/60/776720160.db2.gz CIYBMRCCTDAKRG-UHFFFAOYSA-N 1 1 323.313 -2.559 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2ccon2)c(=O)n(C)c1=O ZINC001134665673 776720426 /nfs/dbraw/zinc/72/04/26/776720426.db2.gz QOSUSDSCEPCNQK-UHFFFAOYSA-N 1 1 307.310 -1.408 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1cnn(C)n1)C(N)=O ZINC001134829632 776723189 /nfs/dbraw/zinc/72/31/89/776723189.db2.gz MKDRDDDELDWEDQ-JTQLQIEISA-N 1 1 311.346 -2.599 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nccs1)C(N)=O ZINC001134829205 776723203 /nfs/dbraw/zinc/72/32/03/776723203.db2.gz DFUFXILSOZJTRF-VIFPVBQESA-N 1 1 313.383 -1.271 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829622 776723216 /nfs/dbraw/zinc/72/32/16/776723216.db2.gz MBRVHBRPCBECQK-NSHDSACASA-N 1 1 324.385 -1.511 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1nocc1C)C(N)=O ZINC001134829879 776723889 /nfs/dbraw/zinc/72/38/89/776723889.db2.gz QAQONUFHFMZXGT-JTQLQIEISA-N 1 1 311.342 -1.431 20 0 DAADMO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)c1cnn[nH]1 ZINC001134847485 776725299 /nfs/dbraw/zinc/72/52/99/776725299.db2.gz CIWHPQDHJPDSSL-RKDXNWHRSA-N 1 1 318.403 -1.160 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O)nn1 ZINC001134963640 776730828 /nfs/dbraw/zinc/73/08/28/776730828.db2.gz SNHDRYBYDMAEKM-UHFFFAOYSA-N 1 1 318.403 -1.651 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961507 776730919 /nfs/dbraw/zinc/73/09/19/776730919.db2.gz UIDIDMXYTKNLPQ-UHFFFAOYSA-N 1 1 318.403 -1.651 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001135004319 776733581 /nfs/dbraw/zinc/73/35/81/776733581.db2.gz GDXXUKFXNWWSQJ-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095969 776734728 /nfs/dbraw/zinc/73/47/28/776734728.db2.gz YCEKHCODLVJXOD-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095969 776734741 /nfs/dbraw/zinc/73/47/41/776734741.db2.gz YCEKHCODLVJXOD-QWRGUYRKSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095968 776734796 /nfs/dbraw/zinc/73/47/96/776734796.db2.gz YCEKHCODLVJXOD-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095968 776734808 /nfs/dbraw/zinc/73/48/08/776734808.db2.gz YCEKHCODLVJXOD-MNOVXSKESA-N 1 1 311.386 -1.096 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135079912 776734992 /nfs/dbraw/zinc/73/49/92/776734992.db2.gz GREVDCNHRKFGRW-SNVBAGLBSA-N 1 1 317.415 -1.157 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135125719 776735764 /nfs/dbraw/zinc/73/57/64/776735764.db2.gz IGWRNBYDJBTEPV-SNVBAGLBSA-N 1 1 315.399 -1.340 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001090521751 776737199 /nfs/dbraw/zinc/73/71/99/776737199.db2.gz CTUZDVKSDYTCGN-LDYMZIIASA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)C2CC3(C2)NC(=O)NC3=O)n1 ZINC001135154792 776739852 /nfs/dbraw/zinc/73/98/52/776739852.db2.gz IIIIVSQEVJDZLZ-UHFFFAOYSA-N 1 1 321.341 -1.991 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001098488131 776740573 /nfs/dbraw/zinc/74/05/73/776740573.db2.gz HGTAECKPSAZODB-UHFFFAOYSA-N 1 1 309.370 -1.277 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCNC(=O)C1CCC1 ZINC001135194294 776741171 /nfs/dbraw/zinc/74/11/71/776741171.db2.gz KJEIKJZPJXGJAA-UHFFFAOYSA-N 1 1 309.374 -1.278 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1nnn(C)n1 ZINC001135213803 776742906 /nfs/dbraw/zinc/74/29/06/776742906.db2.gz BKXICPWXXLZQJS-JGVFFNPUSA-N 1 1 308.350 -1.580 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135220499 776743293 /nfs/dbraw/zinc/74/32/93/776743293.db2.gz YOWQXZMEAPANDO-SECBINFHSA-N 1 1 307.358 -1.118 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135237162 776744724 /nfs/dbraw/zinc/74/47/24/776744724.db2.gz JAQIYGPJIHTUGU-UHFFFAOYSA-N 1 1 317.313 -1.522 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)nn1 ZINC001135272832 776746025 /nfs/dbraw/zinc/74/60/25/776746025.db2.gz CDNWCSQVKCUDMY-UHFFFAOYSA-N 1 1 308.342 -1.443 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc(C2CC2)[nH]1)C1CC(=O)NC(=O)C1 ZINC001135269589 776748120 /nfs/dbraw/zinc/74/81/20/776748120.db2.gz OKVITSJAOJPDTK-UHFFFAOYSA-N 1 1 320.353 -1.059 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)C1(C(N)=O)CC1 ZINC001135349322 776750868 /nfs/dbraw/zinc/75/08/68/776750868.db2.gz MDRPXEWELUUVFA-IUCAKERBSA-N 1 1 309.374 -1.152 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNCc1nnnn1C1CC1 ZINC001135349869 776751513 /nfs/dbraw/zinc/75/15/13/776751513.db2.gz GWYWRXFLCDPECD-UHFFFAOYSA-N 1 1 323.401 -1.064 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CC(=O)NC1=O)c1nnnn1C ZINC001135443661 776754516 /nfs/dbraw/zinc/75/45/16/776754516.db2.gz BZYKHRDHICCMGP-ZETCQYMHSA-N 1 1 310.318 -2.471 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)on1 ZINC001135443628 776754585 /nfs/dbraw/zinc/75/45/85/776754585.db2.gz BGABASXBHJOKCQ-UHFFFAOYSA-N 1 1 311.298 -1.559 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001135385370 776754657 /nfs/dbraw/zinc/75/46/57/776754657.db2.gz ZMFZPQMRFKPEKC-GFCCVEGCSA-N 1 1 324.385 -1.604 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC001135387584 776755074 /nfs/dbraw/zinc/75/50/74/776755074.db2.gz UOBATFSUBSYDJO-UHFFFAOYSA-N 1 1 320.353 -1.434 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135456579 776756456 /nfs/dbraw/zinc/75/64/56/776756456.db2.gz APXLXBMFHOPJEY-UHFFFAOYSA-N 1 1 308.342 -1.339 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CC(=O)NC2=O)[nH]1 ZINC001135443867 776756518 /nfs/dbraw/zinc/75/65/18/776756518.db2.gz IFBXYCVDPBJWCD-QMMMGPOBSA-N 1 1 323.357 -1.314 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)n1 ZINC001135444033 776756619 /nfs/dbraw/zinc/75/66/19/776756619.db2.gz KQBGLZISCWWWNG-UHFFFAOYSA-N 1 1 308.342 -1.339 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CC(=O)NC2=O)[nH]1 ZINC001135444483 776756688 /nfs/dbraw/zinc/75/66/88/776756688.db2.gz WDFKXECMPDMBIO-SSDOTTSWSA-N 1 1 309.330 -1.568 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)C1CCOCC1 ZINC001135474525 776757645 /nfs/dbraw/zinc/75/76/45/776757645.db2.gz SGNJDQQJQDDQDZ-UHFFFAOYSA-N 1 1 324.385 -1.436 20 0 DAADMO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)c2nc[nH]n2)CC1 ZINC001135521163 776759741 /nfs/dbraw/zinc/75/97/41/776759741.db2.gz VMPZZFVMSOSMCO-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO CS(=O)(=O)CC1(C[NH2+]CCNC(=O)c2ncn[nH]2)CC1 ZINC001135521163 776759735 /nfs/dbraw/zinc/75/97/35/776759735.db2.gz VMPZZFVMSOSMCO-UHFFFAOYSA-N 1 1 301.372 -1.051 20 0 DAADMO Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)c3ncn[nH]3)C2=O)n1 ZINC001135525732 776760118 /nfs/dbraw/zinc/76/01/18/776760118.db2.gz ATXGONMILOHLKP-VIFPVBQESA-N 1 1 318.341 -1.337 20 0 DAADMO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135526294 776760159 /nfs/dbraw/zinc/76/01/59/776760159.db2.gz ZGRXBZRZEFYPRR-UHFFFAOYSA-N 1 1 311.346 -1.394 20 0 DAADMO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135526294 776760168 /nfs/dbraw/zinc/76/01/68/776760168.db2.gz ZGRXBZRZEFYPRR-UHFFFAOYSA-N 1 1 311.346 -1.394 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135526191 776760472 /nfs/dbraw/zinc/76/04/72/776760472.db2.gz VECDLTMRKULMOD-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135526191 776760475 /nfs/dbraw/zinc/76/04/75/776760475.db2.gz VECDLTMRKULMOD-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2ncn[nH]2)C1 ZINC001135524454 776760492 /nfs/dbraw/zinc/76/04/92/776760492.db2.gz STXWOXKRGJSYKC-VIFPVBQESA-N 1 1 316.387 -1.594 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)c2nc[nH]n2)C1 ZINC001135524454 776760495 /nfs/dbraw/zinc/76/04/95/776760495.db2.gz STXWOXKRGJSYKC-VIFPVBQESA-N 1 1 316.387 -1.594 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+]Cc2nncn2C)ccc1=O ZINC001135482475 776760532 /nfs/dbraw/zinc/76/05/32/776760532.db2.gz DQUVFBRMXFIYAT-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)C1 ZINC001135529292 776761269 /nfs/dbraw/zinc/76/12/69/776761269.db2.gz MZJNLHOYRJJVME-SECBINFHSA-N 1 1 323.357 -2.152 20 0 DAADMO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)C1 ZINC001135529292 776761276 /nfs/dbraw/zinc/76/12/76/776761276.db2.gz MZJNLHOYRJJVME-SECBINFHSA-N 1 1 323.357 -2.152 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ncn[nH]1 ZINC001135529383 776761555 /nfs/dbraw/zinc/76/15/55/776761555.db2.gz QFEFWZOAUGKRSA-WDEREUQCSA-N 1 1 313.358 -1.319 20 0 DAADMO O=C(NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)c1nc[nH]n1 ZINC001135529383 776761560 /nfs/dbraw/zinc/76/15/60/776761560.db2.gz QFEFWZOAUGKRSA-WDEREUQCSA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001135529009 776761892 /nfs/dbraw/zinc/76/18/92/776761892.db2.gz BDDJOZRKJWSMRE-ZETCQYMHSA-N 1 1 309.330 -1.499 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC(=O)NC1CC1 ZINC001135529009 776761894 /nfs/dbraw/zinc/76/18/94/776761894.db2.gz BDDJOZRKJWSMRE-ZETCQYMHSA-N 1 1 309.330 -1.499 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001135529414 776761950 /nfs/dbraw/zinc/76/19/50/776761950.db2.gz RBRKMQKQRGPCEQ-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC[C@H]1CCCO1 ZINC001135529414 776761951 /nfs/dbraw/zinc/76/19/51/776761951.db2.gz RBRKMQKQRGPCEQ-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ncn[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001135529415 776762399 /nfs/dbraw/zinc/76/23/99/776762399.db2.gz RBRKMQKQRGPCEQ-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nc[nH]n1)C(=O)NC[C@@H]1CCCO1 ZINC001135529415 776762406 /nfs/dbraw/zinc/76/24/06/776762406.db2.gz RBRKMQKQRGPCEQ-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001135677629 776766895 /nfs/dbraw/zinc/76/68/95/776766895.db2.gz ROLIGBQPKBRPJJ-UHFFFAOYSA-N 1 1 321.345 -1.909 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681440 776767107 /nfs/dbraw/zinc/76/71/07/776767107.db2.gz JKQNPEUEUVARBU-UHFFFAOYSA-N 1 1 322.377 -1.244 20 0 DAADMO Cn1nc(C2CC2)nc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681870 776767127 /nfs/dbraw/zinc/76/71/27/776767127.db2.gz WMOKOULKRLAXCB-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677500 776767190 /nfs/dbraw/zinc/76/71/90/776767190.db2.gz LUPRNZBYCZOIFF-UHFFFAOYSA-N 1 1 322.377 -1.289 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135677410 776767435 /nfs/dbraw/zinc/76/74/35/776767435.db2.gz HAUNHCNODCSEAA-UHFFFAOYSA-N 1 1 307.362 -1.111 20 0 DAADMO CC1CCN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001135702732 776768789 /nfs/dbraw/zinc/76/87/89/776768789.db2.gz POIYSFVILZEFPV-UHFFFAOYSA-N 1 1 320.459 -1.027 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1ncn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001135736011 776769011 /nfs/dbraw/zinc/76/90/11/776769011.db2.gz VCRRKNKIYPVAQF-BDAKNGLRSA-N 1 1 323.357 -1.157 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001135736011 776769017 /nfs/dbraw/zinc/76/90/17/776769017.db2.gz VCRRKNKIYPVAQF-BDAKNGLRSA-N 1 1 323.357 -1.157 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001086791447 776771318 /nfs/dbraw/zinc/77/13/18/776771318.db2.gz ZJBLQOCKCHRLAY-IVZWLZJFSA-N 1 1 322.373 -1.734 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001135895094 776772584 /nfs/dbraw/zinc/77/25/84/776772584.db2.gz CZNFOAUXVUATMW-JGVFFNPUSA-N 1 1 311.346 -1.585 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525619 776774412 /nfs/dbraw/zinc/77/44/12/776774412.db2.gz MHWAMSFZHSFAIZ-GXSJLCMTSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525619 776774417 /nfs/dbraw/zinc/77/44/17/776774417.db2.gz MHWAMSFZHSFAIZ-GXSJLCMTSA-N 1 1 323.353 -1.977 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CCn1cnccc1=O)c1nnnn1C ZINC001136022340 776778225 /nfs/dbraw/zinc/77/82/25/776778225.db2.gz ZFMLTKWWPNOYAQ-SNVBAGLBSA-N 1 1 320.357 -1.376 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022079 776778561 /nfs/dbraw/zinc/77/85/61/776778561.db2.gz PXZAJAXPZYPBEJ-UHFFFAOYSA-N 1 1 305.342 -1.332 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136017753 776779689 /nfs/dbraw/zinc/77/96/89/776779689.db2.gz QHCXUTYNEBZPNN-UHFFFAOYSA-N 1 1 306.330 -1.937 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1nnn(C)n1 ZINC001136131475 776780839 /nfs/dbraw/zinc/78/08/39/776780839.db2.gz ZPXFLJYUERPONW-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001090530952 776783077 /nfs/dbraw/zinc/78/30/77/776783077.db2.gz GOVRRSZVRGBAGV-MNOVXSKESA-N 1 1 323.353 -1.670 20 0 DAADMO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c(C)n1 ZINC001090530952 776783083 /nfs/dbraw/zinc/78/30/83/776783083.db2.gz GOVRRSZVRGBAGV-MNOVXSKESA-N 1 1 323.353 -1.670 20 0 DAADMO CN(C)c1cc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090531575 776783270 /nfs/dbraw/zinc/78/32/70/776783270.db2.gz MHUGAEZYNIOQGA-RYUDHWBXSA-N 1 1 321.381 -1.316 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090531575 776783273 /nfs/dbraw/zinc/78/32/73/776783273.db2.gz MHUGAEZYNIOQGA-RYUDHWBXSA-N 1 1 321.381 -1.316 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001090532192 776783931 /nfs/dbraw/zinc/78/39/31/776783931.db2.gz AOUHELKSWPINRJ-VHSXEESVSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001090532192 776783937 /nfs/dbraw/zinc/78/39/37/776783937.db2.gz AOUHELKSWPINRJ-VHSXEESVSA-N 1 1 314.342 -3.118 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001090531862 776784073 /nfs/dbraw/zinc/78/40/73/776784073.db2.gz ONBKLIOGPLKAHW-NWDGAFQWSA-N 1 1 320.349 -1.678 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090533024 776785094 /nfs/dbraw/zinc/78/50/94/776785094.db2.gz HORYLAZOBWGTPK-MNOVXSKESA-N 1 1 310.358 -2.068 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090533022 776785114 /nfs/dbraw/zinc/78/51/14/776785114.db2.gz HORYLAZOBWGTPK-GHMZBOCLSA-N 1 1 310.358 -2.068 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090533028 776785223 /nfs/dbraw/zinc/78/52/23/776785223.db2.gz HORYLAZOBWGTPK-WDEREUQCSA-N 1 1 310.358 -2.068 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001090532460 776785529 /nfs/dbraw/zinc/78/55/29/776785529.db2.gz BKNHPQJRZQRVOG-PWSUYJOCSA-N 1 1 319.321 -1.241 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090533972 776787210 /nfs/dbraw/zinc/78/72/10/776787210.db2.gz LCXGDJRXWOAWEB-NWDGAFQWSA-N 1 1 309.370 -1.463 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001090540322 776788970 /nfs/dbraw/zinc/78/89/70/776788970.db2.gz OOZATAYTZJGUTN-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090547973 776789420 /nfs/dbraw/zinc/78/94/20/776789420.db2.gz VMXPEPDSNIOFOZ-GHMZBOCLSA-N 1 1 322.369 -1.312 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001090540324 776789454 /nfs/dbraw/zinc/78/94/54/776789454.db2.gz OOZATAYTZJGUTN-QWRGUYRKSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001090541959 776790160 /nfs/dbraw/zinc/79/01/60/776790160.db2.gz YHZFQQVJSNEZLK-IUCAKERBSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)[nH]1 ZINC001090574904 776790785 /nfs/dbraw/zinc/79/07/85/776790785.db2.gz ZBRDGRZNJHQLGR-CABZTGNLSA-N 1 1 310.354 -1.339 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090576896 776791587 /nfs/dbraw/zinc/79/15/87/776791587.db2.gz OISIKRKLJXWDAF-WDEREUQCSA-N 1 1 311.338 -1.047 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H](O)C1 ZINC001090563618 776791852 /nfs/dbraw/zinc/79/18/52/776791852.db2.gz OMISQDXTZHXHCD-DTWKUNHWSA-N 1 1 317.371 -1.758 20 0 DAADMO NC(=O)c1coc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090566227 776791953 /nfs/dbraw/zinc/79/19/53/776791953.db2.gz KKFQFCBVYZRQJF-QWRGUYRKSA-N 1 1 311.338 -1.074 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1nccn2ccnc12 ZINC001090580410 776793693 /nfs/dbraw/zinc/79/36/93/776793693.db2.gz JRQOQHZMQHIWHD-MNOVXSKESA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090593002 776793811 /nfs/dbraw/zinc/79/38/11/776793811.db2.gz CMDCIURKOYDIQE-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090593002 776793823 /nfs/dbraw/zinc/79/38/23/776793823.db2.gz CMDCIURKOYDIQE-OLZOCXBDSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1nccn2ccnc12 ZINC001090580412 776794059 /nfs/dbraw/zinc/79/40/59/776794059.db2.gz JRQOQHZMQHIWHD-WDEREUQCSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC001090588367 776794480 /nfs/dbraw/zinc/79/44/80/776794480.db2.gz CUHLOTNJYOPEON-QWHCGFSZSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC001090588367 776794490 /nfs/dbraw/zinc/79/44/90/776794490.db2.gz CUHLOTNJYOPEON-QWHCGFSZSA-N 1 1 319.365 -1.126 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090610854 776796184 /nfs/dbraw/zinc/79/61/84/776796184.db2.gz WBWQMVGWEDWQKV-IUCAKERBSA-N 1 1 312.326 -2.022 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610438 776796500 /nfs/dbraw/zinc/79/65/00/776796500.db2.gz SBFTYHCEGIUTCX-GHMZBOCLSA-N 1 1 310.354 -1.731 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](O)C1 ZINC001090603960 776796875 /nfs/dbraw/zinc/79/68/75/776796875.db2.gz ABWPGNZAUYUPQV-ZYHUDNBSSA-N 1 1 320.353 -1.538 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090599406 776796933 /nfs/dbraw/zinc/79/69/33/776796933.db2.gz FGDJOKCGUJGTOC-STQMWFEESA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090612087 776797657 /nfs/dbraw/zinc/79/76/57/776797657.db2.gz KQUDMCVTONPOAX-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccnn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090612087 776797665 /nfs/dbraw/zinc/79/76/65/776797665.db2.gz KQUDMCVTONPOAX-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)c1 ZINC001090608301 776798093 /nfs/dbraw/zinc/79/80/93/776798093.db2.gz CPUXQPZDYVQRPF-STQMWFEESA-N 1 1 309.366 -1.300 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC001090640538 776798773 /nfs/dbraw/zinc/79/87/73/776798773.db2.gz JHBVAYYCXOXLSM-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641242 776799662 /nfs/dbraw/zinc/79/96/62/776799662.db2.gz OJAQGIYXNWOVST-MNOVXSKESA-N 1 1 313.354 -2.027 20 0 DAADMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)N1CCOCC1 ZINC001090640046 776800228 /nfs/dbraw/zinc/80/02/28/776800228.db2.gz FZRIZBUEOJOYHY-OLZOCXBDSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641876 776800483 /nfs/dbraw/zinc/80/04/83/776800483.db2.gz SQTXLYZNDUNQKF-ZJUUUORDSA-N 1 1 301.318 -1.440 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090641876 776800499 /nfs/dbraw/zinc/80/04/99/776800499.db2.gz SQTXLYZNDUNQKF-ZJUUUORDSA-N 1 1 301.318 -1.440 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)[C@H](O)C1 ZINC001090639323 776800771 /nfs/dbraw/zinc/80/07/71/776800771.db2.gz XCHKKVPLUNWTII-NWDGAFQWSA-N 1 1 324.385 -1.250 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090642719 776801515 /nfs/dbraw/zinc/80/15/15/776801515.db2.gz ZBNGBEKXSWYWMP-MNOVXSKESA-N 1 1 315.345 -1.050 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001090643711 776802264 /nfs/dbraw/zinc/80/22/64/776802264.db2.gz HBXNTXMOXDAEPS-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)cn1 ZINC001090643711 776802272 /nfs/dbraw/zinc/80/22/72/776802272.db2.gz HBXNTXMOXDAEPS-AAEUAGOBSA-N 1 1 319.369 -1.086 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090652292 776806055 /nfs/dbraw/zinc/80/60/55/776806055.db2.gz LVKQPUBLRIUDTI-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090655466 776806391 /nfs/dbraw/zinc/80/63/91/776806391.db2.gz RQGZNAPXHLGNCJ-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090653966 776808511 /nfs/dbraw/zinc/80/85/11/776808511.db2.gz CGXXUAMNWIZNIJ-RKDXNWHRSA-N 1 1 300.315 -2.918 20 0 DAADMO CCCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090655902 776809095 /nfs/dbraw/zinc/80/90/95/776809095.db2.gz XDXKDPVPCPVRLI-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090653793 776809116 /nfs/dbraw/zinc/80/91/16/776809116.db2.gz ZWHOIJOGPWXIOX-VHSXEESVSA-N 1 1 314.342 -2.528 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H](O)C1 ZINC001090658337 776809995 /nfs/dbraw/zinc/80/99/95/776809995.db2.gz WWLAXVFAZPBRQH-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1nnc[nH]1 ZINC001090657817 776810206 /nfs/dbraw/zinc/81/02/06/776810206.db2.gz IEANFELXRSNJSX-ZJUUUORDSA-N 1 1 323.357 -2.005 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1nc2ncccn2n1 ZINC001090657492 776811016 /nfs/dbraw/zinc/81/10/16/776811016.db2.gz CBTMYTSADCRFMG-MNOVXSKESA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc2ncccn2n1 ZINC001090659264 776811042 /nfs/dbraw/zinc/81/10/42/776811042.db2.gz FMZFPPDFTSZMDX-PWSUYJOCSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1)N1CCC1 ZINC001090663843 776813463 /nfs/dbraw/zinc/81/34/63/776813463.db2.gz OADPOYXMBGGSNS-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](O)C1)N1CCC1 ZINC001090663843 776813470 /nfs/dbraw/zinc/81/34/70/776813470.db2.gz OADPOYXMBGGSNS-YPMHNXCESA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090663816 776814608 /nfs/dbraw/zinc/81/46/08/776814608.db2.gz DFNNWOZMYZGYLI-MNOVXSKESA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC001090663816 776814617 /nfs/dbraw/zinc/81/46/17/776814617.db2.gz DFNNWOZMYZGYLI-MNOVXSKESA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cccnn1 ZINC001090668120 776815695 /nfs/dbraw/zinc/81/56/95/776815695.db2.gz RVSCWNAJOVODDN-AAEUAGOBSA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC001090664485 776816770 /nfs/dbraw/zinc/81/67/70/776816770.db2.gz KIBCTUKOJIQMDE-RYUDHWBXSA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090673453 776817809 /nfs/dbraw/zinc/81/78/09/776817809.db2.gz KVSCWBDIILEOJO-RYUDHWBXSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090673453 776817819 /nfs/dbraw/zinc/81/78/19/776817819.db2.gz KVSCWBDIILEOJO-RYUDHWBXSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)n1 ZINC001090674260 776818075 /nfs/dbraw/zinc/81/80/75/776818075.db2.gz RNNXRUQYMRFLMD-OLZOCXBDSA-N 1 1 324.381 -1.596 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090673451 776819672 /nfs/dbraw/zinc/81/96/72/776819672.db2.gz KVSCWBDIILEOJO-NWDGAFQWSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090673451 776819682 /nfs/dbraw/zinc/81/96/82/776819682.db2.gz KVSCWBDIILEOJO-NWDGAFQWSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)n1 ZINC001090674262 776819932 /nfs/dbraw/zinc/81/99/32/776819932.db2.gz RNNXRUQYMRFLMD-STQMWFEESA-N 1 1 324.381 -1.596 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn(CC2CC2)nn1 ZINC001090684332 776820571 /nfs/dbraw/zinc/82/05/71/776820571.db2.gz XBUVRVJQYGUTLI-YPMHNXCESA-N 1 1 309.370 -1.155 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCO)CCOCCO)C1 ZINC001171019426 776821346 /nfs/dbraw/zinc/82/13/46/776821346.db2.gz WFIMYZNCVVJOGY-ZDUSSCGKSA-N 1 1 324.443 -1.039 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090680365 776822276 /nfs/dbraw/zinc/82/22/76/776822276.db2.gz UWGNMGWGDXIWFX-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001090676523 776822641 /nfs/dbraw/zinc/82/26/41/776822641.db2.gz PLVDQVLFKHVPQZ-PWSUYJOCSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090708015 776825027 /nfs/dbraw/zinc/82/50/27/776825027.db2.gz CPHZQTVQXQYQJZ-UWVGGRQHSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090709351 776826334 /nfs/dbraw/zinc/82/63/34/776826334.db2.gz LULPBYNPBSYBSA-RYUDHWBXSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090709985 776826447 /nfs/dbraw/zinc/82/64/47/776826447.db2.gz RTKBYYRDIPATKG-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090709985 776826455 /nfs/dbraw/zinc/82/64/55/776826455.db2.gz RTKBYYRDIPATKG-NXEZZACHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090709987 776827197 /nfs/dbraw/zinc/82/71/97/776827197.db2.gz RTKBYYRDIPATKG-VHSXEESVSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090709987 776827209 /nfs/dbraw/zinc/82/72/09/776827209.db2.gz RTKBYYRDIPATKG-VHSXEESVSA-N 1 1 316.333 -1.551 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001171027510 776829438 /nfs/dbraw/zinc/82/94/38/776829438.db2.gz ZVDISKLJAOANAT-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090716315 776830165 /nfs/dbraw/zinc/83/01/65/776830165.db2.gz NQRRYXRNNVJYNJ-MNOVXSKESA-N 1 1 320.357 -1.810 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cccn2c(=O)[nH]nc12 ZINC001090720940 776831049 /nfs/dbraw/zinc/83/10/49/776831049.db2.gz CQXQNOZHNGRVHP-GHMZBOCLSA-N 1 1 321.337 -1.408 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)C1=O ZINC001090722500 776831375 /nfs/dbraw/zinc/83/13/75/776831375.db2.gz MPRIQMMSZSMJMF-ZJUUUORDSA-N 1 1 314.342 -2.576 20 0 DAADMO O=C([C@@H]1C[C@H](NC[C@@H]2COCCN2)C[NH2+]1)N1CCSC1 ZINC001246278692 776831667 /nfs/dbraw/zinc/83/16/67/776831667.db2.gz MAAZHEKVENDXBP-TUAOUCFPSA-N 1 1 300.428 -1.172 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090731376 776832053 /nfs/dbraw/zinc/83/20/53/776832053.db2.gz QVJMFAAEYVGTQL-UWVGGRQHSA-N 1 1 311.338 -1.047 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)[C@H](O)C1 ZINC001090729254 776832707 /nfs/dbraw/zinc/83/27/07/776832707.db2.gz ZTHQCZJBLWKJNO-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)[C@H](O)C1 ZINC001090729254 776832722 /nfs/dbraw/zinc/83/27/22/776832722.db2.gz ZTHQCZJBLWKJNO-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO O=C([C@@H]1C[C@@H](NC[C@H]2COCCN2)C[NH2+]1)N1CCSC1 ZINC001246278694 776833541 /nfs/dbraw/zinc/83/35/41/776833541.db2.gz MAAZHEKVENDXBP-WOPDTQHZSA-N 1 1 300.428 -1.172 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090731375 776833975 /nfs/dbraw/zinc/83/39/75/776833975.db2.gz QVJMFAAEYVGTQL-NXEZZACHSA-N 1 1 311.338 -1.047 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001090724467 776834403 /nfs/dbraw/zinc/83/44/03/776834403.db2.gz JPSYFKBEFIFKQE-SCZZXKLOSA-N 1 1 322.325 -2.425 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710489 776834487 /nfs/dbraw/zinc/83/44/87/776834487.db2.gz VXMNTRDVRYEHGX-QWRGUYRKSA-N 1 1 312.370 -1.112 20 0 DAADMO Cn1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001090736718 776836097 /nfs/dbraw/zinc/83/60/97/776836097.db2.gz KAOWITBOCXTASM-STQMWFEESA-N 1 1 309.366 -1.067 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3CC[N@@H+](CCO)C[C@H]3O)nn21 ZINC001090776343 776841028 /nfs/dbraw/zinc/84/10/28/776841028.db2.gz YJNYFZOJOJCBGN-GHMZBOCLSA-N 1 1 320.353 -1.410 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c(=O)n1C ZINC001090771820 776841566 /nfs/dbraw/zinc/84/15/66/776841566.db2.gz WXGIBECUJWELRK-WDEREUQCSA-N 1 1 315.349 -1.589 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c(=O)n1C ZINC001090771820 776841576 /nfs/dbraw/zinc/84/15/76/776841576.db2.gz WXGIBECUJWELRK-WDEREUQCSA-N 1 1 315.349 -1.589 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090768441 776841690 /nfs/dbraw/zinc/84/16/90/776841690.db2.gz UVIWXLALLAAMSJ-ZWNOBZJWSA-N 1 1 322.365 -1.402 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)c(=O)n1C ZINC001090771440 776841985 /nfs/dbraw/zinc/84/19/85/776841985.db2.gz SDRDRIRHGJLMHR-OLZOCXBDSA-N 1 1 323.397 -1.148 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c(=O)n1C ZINC001090771439 776842127 /nfs/dbraw/zinc/84/21/27/776842127.db2.gz SDRDRIRHGJLMHR-CHWSQXEVSA-N 1 1 323.397 -1.148 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787930 776842686 /nfs/dbraw/zinc/84/26/86/776842686.db2.gz VUEXFGQTOOVXDB-WDEREUQCSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090787930 776842692 /nfs/dbraw/zinc/84/26/92/776842692.db2.gz VUEXFGQTOOVXDB-WDEREUQCSA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090791917 776842966 /nfs/dbraw/zinc/84/29/66/776842966.db2.gz XLXRMZUNJAIRKK-STQMWFEESA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CN1CCCCCC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090791916 776843086 /nfs/dbraw/zinc/84/30/86/776843086.db2.gz XLXRMZUNJAIRKK-QWHCGFSZSA-N 1 1 313.398 -1.067 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090790229 776843225 /nfs/dbraw/zinc/84/32/25/776843225.db2.gz LOIAQYYEXOKAHU-ZYHUDNBSSA-N 1 1 310.354 -1.672 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090790226 776843672 /nfs/dbraw/zinc/84/36/72/776843672.db2.gz LOIAQYYEXOKAHU-JQWIXIFHSA-N 1 1 310.354 -1.672 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786543 776843813 /nfs/dbraw/zinc/84/38/13/776843813.db2.gz HHTNKYCYFUQOCU-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786543 776843817 /nfs/dbraw/zinc/84/38/17/776843817.db2.gz HHTNKYCYFUQOCU-QWHCGFSZSA-N 1 1 319.369 -1.237 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787928 776844014 /nfs/dbraw/zinc/84/40/14/776844014.db2.gz VUEXFGQTOOVXDB-QWRGUYRKSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090787928 776844019 /nfs/dbraw/zinc/84/40/19/776844019.db2.gz VUEXFGQTOOVXDB-QWRGUYRKSA-N 1 1 310.358 -2.082 20 0 DAADMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)ccc1=O ZINC001090790225 776844152 /nfs/dbraw/zinc/84/41/52/776844152.db2.gz LOIAQYYEXOKAHU-CMPLNLGQSA-N 1 1 310.354 -1.672 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786541 776844518 /nfs/dbraw/zinc/84/45/18/776844518.db2.gz HHTNKYCYFUQOCU-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)[C@H](O)C2)cn1 ZINC001090786541 776844529 /nfs/dbraw/zinc/84/45/29/776844529.db2.gz HHTNKYCYFUQOCU-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090794132 776845828 /nfs/dbraw/zinc/84/58/28/776845828.db2.gz KHIYBPWQYPVPSI-YPMHNXCESA-N 1 1 324.381 -1.189 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090793977 776845998 /nfs/dbraw/zinc/84/59/98/776845998.db2.gz JHHDWQKTMSQYMZ-QWRGUYRKSA-N 1 1 313.354 -1.667 20 0 DAADMO CC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090793693 776846129 /nfs/dbraw/zinc/84/61/29/776846129.db2.gz LDIIXAPLJHVCAO-KBPBESRZSA-N 1 1 313.398 -1.211 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090792705 776848160 /nfs/dbraw/zinc/84/81/60/776848160.db2.gz GWPVBOOWYHGUHN-ZJUUUORDSA-N 1 1 323.353 -1.877 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090792670 776848474 /nfs/dbraw/zinc/84/84/74/776848474.db2.gz GKXYVROEFZCIDQ-BDAKNGLRSA-N 1 1 309.326 -2.267 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090792703 776848535 /nfs/dbraw/zinc/84/85/35/776848535.db2.gz GWPVBOOWYHGUHN-UWVGGRQHSA-N 1 1 323.353 -1.877 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090797094 776848951 /nfs/dbraw/zinc/84/89/51/776848951.db2.gz TZCAKMBMMNOORZ-NXEZZACHSA-N 1 1 301.318 -1.344 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090797094 776848964 /nfs/dbraw/zinc/84/89/64/776848964.db2.gz TZCAKMBMMNOORZ-NXEZZACHSA-N 1 1 301.318 -1.344 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090792672 776849944 /nfs/dbraw/zinc/84/99/44/776849944.db2.gz GKXYVROEFZCIDQ-IUCAKERBSA-N 1 1 309.326 -2.267 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]1 ZINC001090807153 776850681 /nfs/dbraw/zinc/85/06/81/776850681.db2.gz YLRJVXWHXJJDRB-OLZOCXBDSA-N 1 1 324.381 -1.115 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC001090806241 776850772 /nfs/dbraw/zinc/85/07/72/776850772.db2.gz SHDOQQWDOUJKMO-VHSXEESVSA-N 1 1 314.317 -1.380 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC001090806241 776850780 /nfs/dbraw/zinc/85/07/80/776850780.db2.gz SHDOQQWDOUJKMO-VHSXEESVSA-N 1 1 314.317 -1.380 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090795145 776851266 /nfs/dbraw/zinc/85/12/66/776851266.db2.gz UNSXCEMIPKKJIE-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090795145 776851273 /nfs/dbraw/zinc/85/12/73/776851273.db2.gz UNSXCEMIPKKJIE-BDAKNGLRSA-N 1 1 302.306 -1.941 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090806866 776851729 /nfs/dbraw/zinc/85/17/29/776851729.db2.gz XCZICEFJLWYJMQ-RYUDHWBXSA-N 1 1 319.427 -1.712 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090795148 776851800 /nfs/dbraw/zinc/85/18/00/776851800.db2.gz UNSXCEMIPKKJIE-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090795148 776851807 /nfs/dbraw/zinc/85/18/07/776851807.db2.gz UNSXCEMIPKKJIE-RKDXNWHRSA-N 1 1 302.306 -1.941 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090806867 776852484 /nfs/dbraw/zinc/85/24/84/776852484.db2.gz XCZICEFJLWYJMQ-VXGBXAGGSA-N 1 1 319.427 -1.712 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1 ZINC001090819504 776855648 /nfs/dbraw/zinc/85/56/48/776855648.db2.gz BWWZFJXNXGUHNF-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090820234 776855699 /nfs/dbraw/zinc/85/56/99/776855699.db2.gz OWRPTQKYOIRJOD-QWHCGFSZSA-N 1 1 322.365 -1.272 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090815811 776857084 /nfs/dbraw/zinc/85/70/84/776857084.db2.gz NYSCSKCBZVUXTN-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001288065859 777888132 /nfs/dbraw/zinc/88/81/32/777888132.db2.gz BSPPQWVRAXRJLB-GHMZBOCLSA-N 1 1 314.386 -1.718 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001288122595 777893606 /nfs/dbraw/zinc/89/36/06/777893606.db2.gz SHXDISIZRHKXIA-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCC2(CNC(=O)C(N)=O)CC2)C1 ZINC001288760892 777903228 /nfs/dbraw/zinc/90/32/28/777903228.db2.gz BYRXNGPDNZQKMF-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCC2(CNC(=O)C(N)=O)CC2)C1 ZINC001288760892 777903238 /nfs/dbraw/zinc/90/32/38/777903238.db2.gz BYRXNGPDNZQKMF-SNVBAGLBSA-N 1 1 312.370 -1.795 20 0 DAADMO C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CCC1 ZINC001289042171 777906581 /nfs/dbraw/zinc/90/65/81/777906581.db2.gz DZRJIDITXQKCGA-GHMZBOCLSA-N 1 1 312.370 -1.966 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954699 777915796 /nfs/dbraw/zinc/91/57/96/777915796.db2.gz XMQJSUVSCUJIEC-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(N)=O ZINC001289954699 777915805 /nfs/dbraw/zinc/91/58/05/777915805.db2.gz XMQJSUVSCUJIEC-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CC(C)N1CC[NH+](CCCC(=O)NC(C(N)=O)C(N)=O)CC1 ZINC001290504548 777920596 /nfs/dbraw/zinc/92/05/96/777920596.db2.gz HRDIATSKCCXVGO-UHFFFAOYSA-N 1 1 313.402 -1.752 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001292586293 777935994 /nfs/dbraw/zinc/93/59/94/777935994.db2.gz JLIYJWMBNKBMPY-NXEZZACHSA-N 1 1 318.399 -1.995 20 0 DAADMO CN(CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)S(C)(=O)=O ZINC001292584582 777936092 /nfs/dbraw/zinc/93/60/92/777936092.db2.gz OSHAYSPUVCKGSK-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001292608924 777937514 /nfs/dbraw/zinc/93/75/14/777937514.db2.gz SSXPQNVLUCBAJG-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001292608924 777937517 /nfs/dbraw/zinc/93/75/17/777937517.db2.gz SSXPQNVLUCBAJG-GHMZBOCLSA-N 1 1 312.370 -1.782 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN2CCOCC2)CC[N@H+]1C ZINC001292652999 777939919 /nfs/dbraw/zinc/93/99/19/777939919.db2.gz LEMXPABPUIQRMF-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)CCCS(N)(=O)=O)C1 ZINC001292768359 777947003 /nfs/dbraw/zinc/94/70/03/777947003.db2.gz SNJVNXOQNLRFTK-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001292767940 777947022 /nfs/dbraw/zinc/94/70/22/777947022.db2.gz MSYKUXICMBKGGT-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)S(C)(=O)=O ZINC001292810611 777948698 /nfs/dbraw/zinc/94/86/98/777948698.db2.gz WQIKVQYIWIMXAP-OUAUKWLOSA-N 1 1 319.427 -1.008 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001292857660 777951129 /nfs/dbraw/zinc/95/11/29/777951129.db2.gz OQKKIIQWFIFUEU-UHFFFAOYSA-N 1 1 313.402 -1.120 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)c1cc(=O)n(C)cn1 ZINC001292857391 777950966 /nfs/dbraw/zinc/95/09/66/777950966.db2.gz QONAHFXDUZWLEC-UHFFFAOYSA-N 1 1 309.370 -1.034 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C)N1C(=O)CCC1=O ZINC001292851841 777951220 /nfs/dbraw/zinc/95/12/20/777951220.db2.gz JPXRKJZMFUPLLX-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)c1cn[nH]c(=O)c1 ZINC001292871944 777953021 /nfs/dbraw/zinc/95/30/21/777953021.db2.gz FUHASYDIOYRUGB-UHFFFAOYSA-N 1 1 323.353 -1.250 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCCNC(=O)CS(C)(=O)=O)C1 ZINC001293178859 777963886 /nfs/dbraw/zinc/96/38/86/777963886.db2.gz JEWUDVZRUIBCCR-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCCCNC(=O)CS(C)(=O)=O)C1 ZINC001293178857 777964314 /nfs/dbraw/zinc/96/43/14/777964314.db2.gz JEWUDVZRUIBCCR-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001293201183 777964472 /nfs/dbraw/zinc/96/44/72/777964472.db2.gz JQXOXRXGRWFJMM-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)CCNC(N)=O)C1 ZINC001293217009 777966078 /nfs/dbraw/zinc/96/60/78/777966078.db2.gz MPYYZBYNZKBLBT-JTQLQIEISA-N 1 1 315.374 -2.002 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)CCNC(N)=O)C1 ZINC001293217009 777966085 /nfs/dbraw/zinc/96/60/85/777966085.db2.gz MPYYZBYNZKBLBT-JTQLQIEISA-N 1 1 315.374 -2.002 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001293337789 777968002 /nfs/dbraw/zinc/96/80/02/777968002.db2.gz FHBDWZPXCRTEKA-JTQLQIEISA-N 1 1 308.342 -1.505 20 0 DAADMO CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CNC(=O)N1 ZINC001293994739 777978031 /nfs/dbraw/zinc/97/80/31/777978031.db2.gz HCZGKHCBUQKOEN-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001294646211 777986016 /nfs/dbraw/zinc/98/60/16/777986016.db2.gz ZEVZEJGYPHKKJT-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(C(=O)C(N)=O)CC1 ZINC001294678815 777986467 /nfs/dbraw/zinc/98/64/67/777986467.db2.gz JSCBOEOMSSJMEV-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CN1C(=O)CCC1=O ZINC001295596806 778007471 /nfs/dbraw/zinc/00/74/71/778007471.db2.gz NIRWPWKWUHEMCS-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001295751575 778013197 /nfs/dbraw/zinc/01/31/97/778013197.db2.gz IHPAELLINMVJQR-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO CN(CCNC(=O)CC(N)=O)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001296029557 778017475 /nfs/dbraw/zinc/01/74/75/778017475.db2.gz XSYHLUKDVFPYQQ-LLVKDONJSA-N 1 1 324.385 -1.737 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CC(=O)NC)C1 ZINC001296096243 778018133 /nfs/dbraw/zinc/01/81/33/778018133.db2.gz BRJGERUYJSJGRR-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CC(=O)NC)C1 ZINC001296096243 778018145 /nfs/dbraw/zinc/01/81/45/778018145.db2.gz BRJGERUYJSJGRR-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(=O)CC(N)=O ZINC001296311876 778024329 /nfs/dbraw/zinc/02/43/29/778024329.db2.gz LNOPBUCMMPZNQB-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(=O)CC(N)=O ZINC001296311876 778024332 /nfs/dbraw/zinc/02/43/32/778024332.db2.gz LNOPBUCMMPZNQB-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001297026779 778034064 /nfs/dbraw/zinc/03/40/64/778034064.db2.gz COLUECBWXKNTFN-NSHDSACASA-N 1 1 322.369 -1.984 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001297057545 778035605 /nfs/dbraw/zinc/03/56/05/778035605.db2.gz USPWMKPHFOGXLQ-LLVKDONJSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C(=O)NCC2CC2)C1 ZINC001297149683 778041059 /nfs/dbraw/zinc/04/10/59/778041059.db2.gz LAGVYDSBOVDMQQ-GFCCVEGCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC(N)=O)C1 ZINC001298165446 778062449 /nfs/dbraw/zinc/06/24/49/778062449.db2.gz VNSIKWSFEOERMC-SNVBAGLBSA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001298186229 778065852 /nfs/dbraw/zinc/06/58/52/778065852.db2.gz GRMRRBVQDPRANV-NXEZZACHSA-N 1 1 314.386 -1.815 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)C2 ZINC001298205344 778067966 /nfs/dbraw/zinc/06/79/66/778067966.db2.gz RPDBKMQPFSPDJV-MWLCHTKSSA-N 1 1 323.353 -2.167 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNC(=O)CCNC(N)=O ZINC001298310200 778071474 /nfs/dbraw/zinc/07/14/74/778071474.db2.gz FRLYZQQGESZVQO-QUCGXOGASA-N 1 1 311.386 -1.072 20 0 DAADMO CNC(=O)CC(=O)NC/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001298332173 778072112 /nfs/dbraw/zinc/07/21/12/778072112.db2.gz DOFVDGAEXRUMDF-PGLGOXFNSA-N 1 1 312.370 -1.758 20 0 DAADMO CNC(=O)CC(=O)NC/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001298332173 778072119 /nfs/dbraw/zinc/07/21/19/778072119.db2.gz DOFVDGAEXRUMDF-PGLGOXFNSA-N 1 1 312.370 -1.758 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNC(=O)Cn1ncnn1 ZINC001298420475 778075544 /nfs/dbraw/zinc/07/55/44/778075544.db2.gz XKZFVYPANPCPID-PCAWENJQSA-N 1 1 321.385 -1.054 20 0 DAADMO C[C@H](CNC(=O)C(N)=O)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001298686865 778082360 /nfs/dbraw/zinc/08/23/60/778082360.db2.gz NAHSRDTYIGDTHZ-SECBINFHSA-N 1 1 316.321 -1.013 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC(F)F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298781872 778085466 /nfs/dbraw/zinc/08/54/66/778085466.db2.gz YBNTZAXLQJVSIM-IUCAKERBSA-N 1 1 320.340 -1.060 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001298825903 778086814 /nfs/dbraw/zinc/08/68/14/778086814.db2.gz NFXNEZAOXADQLM-ONGXEEELSA-N 1 1 307.354 -1.051 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001298825902 778087170 /nfs/dbraw/zinc/08/71/70/778087170.db2.gz NFXNEZAOXADQLM-GXSJLCMTSA-N 1 1 307.354 -1.051 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001298838397 778087638 /nfs/dbraw/zinc/08/76/38/778087638.db2.gz GJNLXJGGYNYPDV-HBNTYKKESA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@@H](CNC(=O)[C@H](Cn1cccn1)[NH+](C)C)NC(=O)C(N)=O ZINC001298862692 778088576 /nfs/dbraw/zinc/08/85/76/778088576.db2.gz UAFMETJAURLFPU-UWVGGRQHSA-N 1 1 310.358 -2.081 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNC(=O)c1cnccn1 ZINC001302792672 778096634 /nfs/dbraw/zinc/09/66/34/778096634.db2.gz DPQKZMRWHHBPDA-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001304072273 778099227 /nfs/dbraw/zinc/09/92/27/778099227.db2.gz KUFAZQQUSIWTHK-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCNc1ccc(C)c[nH+]1 ZINC001303956168 778099513 /nfs/dbraw/zinc/09/95/13/778099513.db2.gz FWAAZNHCKAXIOL-UHFFFAOYSA-N 1 1 301.372 -1.028 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC001303626159 778099656 /nfs/dbraw/zinc/09/96/56/778099656.db2.gz UZUWKSWFCWHNNS-AWEZNQCLSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)C1=O ZINC001307732324 778102053 /nfs/dbraw/zinc/10/20/53/778102053.db2.gz RUHXMMUTRUKKNE-OQPBUACISA-N 1 1 309.326 -1.399 20 0 DAADMO C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001307461472 778102481 /nfs/dbraw/zinc/10/24/81/778102481.db2.gz NFHDCYALDYOESW-MNOVXSKESA-N 1 1 313.354 -1.979 20 0 DAADMO CC[NH+]1CCN(CCCNCc2cn(CC(N)=O)nn2)CC1 ZINC001308197304 778103406 /nfs/dbraw/zinc/10/34/06/778103406.db2.gz KVJJNVFJMHMWIN-UHFFFAOYSA-N 1 1 309.418 -1.119 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)/C=C/CN2CCOCC2)CC1 ZINC001119656258 779510553 /nfs/dbraw/zinc/51/05/53/779510553.db2.gz YTWRBFMDQMFOET-OWOJBTEDSA-N 1 1 310.398 -1.059 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCOC[C@@H]1CCO ZINC001119758878 779511675 /nfs/dbraw/zinc/51/16/75/779511675.db2.gz JYYSHWPXZFVWGQ-AAEUAGOBSA-N 1 1 311.382 -1.051 20 0 DAADMO COC1(OC)CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C[C@H]1O ZINC001119827034 779512838 /nfs/dbraw/zinc/51/28/38/779512838.db2.gz VMGNHUPVJWJEQA-VHSXEESVSA-N 1 1 301.343 -1.018 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CNC(=O)C3)C[C@]2(C)C1 ZINC001119795838 779513480 /nfs/dbraw/zinc/51/34/80/779513480.db2.gz CFDWGTHJCQMKAI-HFAKWTLXSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001119832481 779513915 /nfs/dbraw/zinc/51/39/15/779513915.db2.gz HXBOKUGUDJVMRL-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001119832481 779513924 /nfs/dbraw/zinc/51/39/24/779513924.db2.gz HXBOKUGUDJVMRL-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CNC(=O)C3)C[C@]2(C)C1 ZINC001119795839 779513953 /nfs/dbraw/zinc/51/39/53/779513953.db2.gz CFDWGTHJCQMKAI-RWSFTLGLSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC001119911141 779514842 /nfs/dbraw/zinc/51/48/42/779514842.db2.gz GIKVFLZTEVRPGW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC001119911141 779514851 /nfs/dbraw/zinc/51/48/51/779514851.db2.gz GIKVFLZTEVRPGW-SNVBAGLBSA-N 1 1 310.354 -1.538 20 0 DAADMO COC(=O)CNC(=O)CCN1CCN(C)CC[N@H+](C)CC1 ZINC001119881634 779515285 /nfs/dbraw/zinc/51/52/85/779515285.db2.gz DXKHPZSNFDTXBT-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO COC(=O)CNC(=O)CCN1CCN(C)CC[N@@H+](C)CC1 ZINC001119881634 779515290 /nfs/dbraw/zinc/51/52/90/779515290.db2.gz DXKHPZSNFDTXBT-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001119910885 779515447 /nfs/dbraw/zinc/51/54/47/779515447.db2.gz BBJONPYOQUUNPW-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001119910885 779515450 /nfs/dbraw/zinc/51/54/50/779515450.db2.gz BBJONPYOQUUNPW-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC001120332032 779517306 /nfs/dbraw/zinc/51/73/06/779517306.db2.gz AZYCBBHFGQQDEW-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC001120332032 779517315 /nfs/dbraw/zinc/51/73/15/779517315.db2.gz AZYCBBHFGQQDEW-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001120298713 779517486 /nfs/dbraw/zinc/51/74/86/779517486.db2.gz YVINCAGVMWDZHO-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC001120298713 779517494 /nfs/dbraw/zinc/51/74/94/779517494.db2.gz YVINCAGVMWDZHO-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001120310440 779518114 /nfs/dbraw/zinc/51/81/14/779518114.db2.gz PJMZDHFYIJWOGP-WDEREUQCSA-N 1 1 311.386 -1.157 20 0 DAADMO O=C(C(=O)N1CC[C@@H](O)[C@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120373929 779519342 /nfs/dbraw/zinc/51/93/42/779519342.db2.gz OIDFFNNKMSGTKH-IRCOFANPSA-N 1 1 315.345 -1.805 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001120487559 779523424 /nfs/dbraw/zinc/52/34/24/779523424.db2.gz AMTISUXUYXYIMB-CYBMUJFWSA-N 1 1 322.475 -1.486 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001120514987 779523610 /nfs/dbraw/zinc/52/36/10/779523610.db2.gz MBGXGEVKWUQCCG-CHWSQXEVSA-N 1 1 311.430 -1.454 20 0 DAADMO Cn1nnc(C[NH2+]C2CC3(CC(NC(=O)CC(N)=O)C3)C2)n1 ZINC001120884627 779525620 /nfs/dbraw/zinc/52/56/20/779525620.db2.gz GQMFKNZQRAKMHP-UHFFFAOYSA-N 1 1 307.358 -1.398 20 0 DAADMO C[C@H]1CN(CC[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCO1 ZINC001120573946 779526128 /nfs/dbraw/zinc/52/61/28/779526128.db2.gz JPZPAAOPWHMRHA-LSDHHAIUSA-N 1 1 300.447 -1.095 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2F)C1 ZINC001121248455 779535057 /nfs/dbraw/zinc/53/50/57/779535057.db2.gz BQQMAQZMJANDMP-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2F)C1 ZINC001121248455 779535061 /nfs/dbraw/zinc/53/50/61/779535061.db2.gz BQQMAQZMJANDMP-UWVGGRQHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2nccnc2F)C1 ZINC001121248454 779535708 /nfs/dbraw/zinc/53/57/08/779535708.db2.gz BQQMAQZMJANDMP-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2nccnc2F)C1 ZINC001121248454 779535713 /nfs/dbraw/zinc/53/57/13/779535713.db2.gz BQQMAQZMJANDMP-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241425 779535997 /nfs/dbraw/zinc/53/59/97/779535997.db2.gz NNNSDVZLODDYHA-WDEREUQCSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ncc(F)cn2)C1 ZINC001121241425 779536006 /nfs/dbraw/zinc/53/60/06/779536006.db2.gz NNNSDVZLODDYHA-WDEREUQCSA-N 1 1 313.333 -1.165 20 0 DAADMO CN1CCN(C)CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001122376649 779563389 /nfs/dbraw/zinc/56/33/89/779563389.db2.gz DOEIWDLYDGPCLH-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122436651 779564625 /nfs/dbraw/zinc/56/46/25/779564625.db2.gz GYKPUOXHOKPXPP-NXEZZACHSA-N 1 1 308.342 -1.336 20 0 DAADMO CC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001122668019 779571302 /nfs/dbraw/zinc/57/13/02/779571302.db2.gz SRSPAEPGIPBWPR-UHFFFAOYSA-N 1 1 304.301 -1.115 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123072625 779577586 /nfs/dbraw/zinc/57/75/86/779577586.db2.gz UMAYFVIGDHQFSD-VIFPVBQESA-N 1 1 310.358 -1.461 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001123257517 779579702 /nfs/dbraw/zinc/57/97/02/779579702.db2.gz JEQHCFYTRJNXJT-UHFFFAOYSA-N 1 1 305.289 -1.583 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCCCC2 ZINC001123242791 779579786 /nfs/dbraw/zinc/57/97/86/779579786.db2.gz UFRPHRWLNZVORQ-UHFFFAOYSA-N 1 1 309.374 -1.121 20 0 DAADMO NC(=O)NCC(=O)NCC[NH2+]Cc1nnnn1-c1ccccc1 ZINC001123241123 779580021 /nfs/dbraw/zinc/58/00/21/779580021.db2.gz ACTNHPLIIQRYEL-UHFFFAOYSA-N 1 1 318.341 -1.464 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)CNC(N)=O)o1 ZINC001123243147 779580139 /nfs/dbraw/zinc/58/01/39/779580139.db2.gz YJMMRGYOJDEMEB-UHFFFAOYSA-N 1 1 318.355 -1.443 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1cnnn1)c1nnnn1C1CC1 ZINC001123312225 779581059 /nfs/dbraw/zinc/58/10/59/779581059.db2.gz AXMYZKQBECLUBB-QMMMGPOBSA-N 1 1 306.334 -1.539 20 0 DAADMO O=C(CN1CCCC1=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001123335280 779581986 /nfs/dbraw/zinc/58/19/86/779581986.db2.gz LGHRANCOEMMRAW-UHFFFAOYSA-N 1 1 322.369 -1.364 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN(C)S(C)(=O)=O ZINC001123824447 779587176 /nfs/dbraw/zinc/58/71/76/779587176.db2.gz CMPPTEHMFYPKFW-NEPJUHHUSA-N 1 1 318.443 -1.228 20 0 DAADMO Cc1cc(NC[C@H](O)CN(C)C(=O)CNC(N)=O)nc(C)[nH+]1 ZINC001124076616 779590573 /nfs/dbraw/zinc/59/05/73/779590573.db2.gz KQVHOXCNVBHFFM-JTQLQIEISA-N 1 1 310.358 -1.007 20 0 DAADMO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001124084394 779590696 /nfs/dbraw/zinc/59/06/96/779590696.db2.gz MHICALNUSQUSGU-UHFFFAOYSA-N 1 1 307.358 -1.260 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001124362995 779595562 /nfs/dbraw/zinc/59/55/62/779595562.db2.gz TWUFKAJMAINRPY-UHFFFAOYSA-N 1 1 321.384 -1.773 20 0 DAADMO CCCC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124356423 779596127 /nfs/dbraw/zinc/59/61/27/779596127.db2.gz QCOGIZAVZJTDQX-UHFFFAOYSA-N 1 1 324.385 -1.070 20 0 DAADMO Nc1nccnc1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001125029195 779606809 /nfs/dbraw/zinc/60/68/09/779606809.db2.gz NSDJMHYHSVPXEE-UHFFFAOYSA-N 1 1 303.330 -1.100 20 0 DAADMO COCc1noc(CNCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125213598 779607531 /nfs/dbraw/zinc/60/75/31/779607531.db2.gz IINQHKKDKINFDU-JTQLQIEISA-N 1 1 313.358 -1.248 20 0 DAADMO COCc1noc(CNCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125213598 779607537 /nfs/dbraw/zinc/60/75/37/779607537.db2.gz IINQHKKDKINFDU-JTQLQIEISA-N 1 1 313.358 -1.248 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001125213375 779608346 /nfs/dbraw/zinc/60/83/46/779608346.db2.gz HFVWUXICCLFUDX-LLVKDONJSA-N 1 1 324.385 -1.655 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CC1C(=O)N=CNC1=O)C2 ZINC001140470682 779615492 /nfs/dbraw/zinc/61/54/92/779615492.db2.gz VMESETBZLBNNFR-AWEZNQCLSA-N 1 1 321.337 -1.189 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCS(N)(=O)=O ZINC001140237411 779615656 /nfs/dbraw/zinc/61/56/56/779615656.db2.gz URLPABLLBLXNIC-GHMZBOCLSA-N 1 1 320.415 -2.204 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001141325971 779617125 /nfs/dbraw/zinc/61/71/25/779617125.db2.gz BAXYHNLZAIAWII-TVQRCGJNSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2cnn[nH]2)C12CCC2 ZINC001203115190 779617783 /nfs/dbraw/zinc/61/77/83/779617783.db2.gz SSYCJZBHVZSFKI-BDAKNGLRSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 ZINC001203115199 779618148 /nfs/dbraw/zinc/61/81/48/779618148.db2.gz SSYCJZBHVZSFKI-DTWKUNHWSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cnn[nH]2)C12CCC2 ZINC001203115215 779618625 /nfs/dbraw/zinc/61/86/25/779618625.db2.gz SSYCJZBHVZSFKI-RKDXNWHRSA-N 1 1 321.341 -1.370 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3sccc3C2)[C@H]2NCN[C@@H]21 ZINC001142227617 779620163 /nfs/dbraw/zinc/62/01/63/779620163.db2.gz ZREXXIDAZCQTJO-MGPQQGTHSA-N 1 1 322.438 -1.375 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3sccc3C2)[C@H]2NCN[C@H]21 ZINC001142227615 779620188 /nfs/dbraw/zinc/62/01/88/779620188.db2.gz ZREXXIDAZCQTJO-BFHYXJOUSA-N 1 1 322.438 -1.375 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CNC(=O)c2cccnc2)[C@H]2NCN[C@H]21 ZINC001142112925 779620674 /nfs/dbraw/zinc/62/06/74/779620674.db2.gz OBJPLYMRQNSWLJ-QJPTWQEYSA-N 1 1 305.342 -2.670 20 0 DAADMO COc1cc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccn1 ZINC001142237501 779620758 /nfs/dbraw/zinc/62/07/58/779620758.db2.gz XMYQXPUZQAERPP-MELADBBJSA-N 1 1 306.370 -1.458 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CNC(=O)c2cccnc2)[C@@H]2NCN[C@H]21 ZINC001142112926 779620906 /nfs/dbraw/zinc/62/09/06/779620906.db2.gz OBJPLYMRQNSWLJ-TUAOUCFPSA-N 1 1 305.342 -2.670 20 0 DAADMO Cc1cn(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(=O)[nH]c1=O ZINC001142322167 779621574 /nfs/dbraw/zinc/62/15/74/779621574.db2.gz PLHYYSAJVBOWRV-LPEHRKFASA-N 1 1 309.330 -3.224 20 0 DAADMO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142635594 779622981 /nfs/dbraw/zinc/62/29/81/779622981.db2.gz OWODORVXTVIHOI-DZXXBYIOSA-N 1 1 316.354 -2.613 20 0 DAADMO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CC2CC[NH+]1CC2 ZINC001142635595 779623204 /nfs/dbraw/zinc/62/32/04/779623204.db2.gz OWODORVXTVIHOI-HXZMXFDXSA-N 1 1 316.354 -2.613 20 0 DAADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 ZINC001142932744 779624185 /nfs/dbraw/zinc/62/41/85/779624185.db2.gz ZEDGPGOQRZJLRZ-AWEZNQCLSA-N 1 1 312.370 -1.841 20 0 DAADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C(N)=O)C2)C1 ZINC001142932744 779624186 /nfs/dbraw/zinc/62/41/86/779624186.db2.gz ZEDGPGOQRZJLRZ-AWEZNQCLSA-N 1 1 312.370 -1.841 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCc2ccc3c(c2)OCO3)[C@H]2NCN[C@@H]21 ZINC001142992495 779625329 /nfs/dbraw/zinc/62/53/29/779625329.db2.gz XYQGPVKSLZFASV-RBSFLKMASA-N 1 1 319.365 -1.133 20 0 DAADMO C[NH+]1CCN(CCC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC001143237964 779626491 /nfs/dbraw/zinc/62/64/91/779626491.db2.gz AHEIKHKPSLVXPK-UHFFFAOYSA-N 1 1 318.443 -1.224 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)CCN2CC[NH+](C)CC2)CCN1C ZINC001143230932 779627200 /nfs/dbraw/zinc/62/72/00/779627200.db2.gz HQMOMPUFRVODPD-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc2ccccn12 ZINC001149275607 779628394 /nfs/dbraw/zinc/62/83/94/779628394.db2.gz ADWSSMBPUOGNAZ-FRRDWIJNSA-N 1 1 301.354 -1.225 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001149318139 779629183 /nfs/dbraw/zinc/62/91/83/779629183.db2.gz SYXIYPNPDWVWEU-GXSJLCMTSA-N 1 1 309.374 -1.155 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CC3)[C@H]2NCN[C@H]21 ZINC001149344375 779630016 /nfs/dbraw/zinc/63/00/16/779630016.db2.gz ZYWVVVLQKZBXQO-BFHYXJOUSA-N 1 1 316.365 -1.296 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cnns1 ZINC001149446873 779631675 /nfs/dbraw/zinc/63/16/75/779631675.db2.gz BCJKEMYUJMRTDP-UHFFFAOYSA-N 1 1 307.401 -1.365 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@H+](CC(=O)NC2CC2)CCCO1 ZINC001149465832 779632442 /nfs/dbraw/zinc/63/24/42/779632442.db2.gz HRNGYGULHDLOSS-NSHDSACASA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CC(=O)NC2CC2)CCCO1 ZINC001149465832 779632444 /nfs/dbraw/zinc/63/24/44/779632444.db2.gz HRNGYGULHDLOSS-NSHDSACASA-N 1 1 312.370 -1.653 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466699 779632590 /nfs/dbraw/zinc/63/25/90/779632590.db2.gz YFAJCFGROZYSSV-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149466699 779632593 /nfs/dbraw/zinc/63/25/93/779632593.db2.gz YFAJCFGROZYSSV-SNVBAGLBSA-N 1 1 300.359 -1.795 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149473106 779632874 /nfs/dbraw/zinc/63/28/74/779632874.db2.gz JJUGASRKJZZKGC-NSHDSACASA-N 1 1 303.359 -1.922 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001149530463 779633850 /nfs/dbraw/zinc/63/38/50/779633850.db2.gz LKVLCCXFBNXRTR-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149488946 779634138 /nfs/dbraw/zinc/63/41/38/779634138.db2.gz DECRNJXWKRYQGP-NSHDSACASA-N 1 1 310.358 -1.639 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001149530704 779634248 /nfs/dbraw/zinc/63/42/48/779634248.db2.gz MZQWXOLVLBHJQN-GFCCVEGCSA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001149531035 779634432 /nfs/dbraw/zinc/63/44/32/779634432.db2.gz QIJMDNHZQFPJBL-GFCCVEGCSA-N 1 1 310.358 -1.732 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2nncn2C)c(=O)n1C ZINC001149576369 779635195 /nfs/dbraw/zinc/63/51/95/779635195.db2.gz DGVZTEHLOAWICB-UHFFFAOYSA-N 1 1 308.346 -2.075 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001149546855 779636076 /nfs/dbraw/zinc/63/60/76/779636076.db2.gz UUCSLRCUIOGWTP-JTQLQIEISA-N 1 1 311.346 -2.337 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149586592 779637002 /nfs/dbraw/zinc/63/70/02/779637002.db2.gz BLRDZRMBTFDYFU-WDEREUQCSA-N 1 1 313.358 -1.428 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577394 779637050 /nfs/dbraw/zinc/63/70/50/779637050.db2.gz YTHRZIQLHKCNRT-UHFFFAOYSA-N 1 1 322.373 -1.592 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001149580341 779637122 /nfs/dbraw/zinc/63/71/22/779637122.db2.gz STUNSUYZOLRTMK-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149586589 779637327 /nfs/dbraw/zinc/63/73/27/779637327.db2.gz BLRDZRMBTFDYFU-GHMZBOCLSA-N 1 1 313.358 -1.428 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)[nH]1 ZINC001149577211 779637388 /nfs/dbraw/zinc/63/73/88/779637388.db2.gz VDKFKEWVIWHDKL-QMMMGPOBSA-N 1 1 322.373 -1.216 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001149599011 779637499 /nfs/dbraw/zinc/63/74/99/779637499.db2.gz CSINRQKIOJOTDB-LBPRGKRZSA-N 1 1 317.386 -1.662 20 0 DAADMO O=C(CN1CCOCC1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149579300 779637659 /nfs/dbraw/zinc/63/76/59/779637659.db2.gz CFPVORYLNCYTAC-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149586591 779637806 /nfs/dbraw/zinc/63/78/06/779637806.db2.gz BLRDZRMBTFDYFU-QWRGUYRKSA-N 1 1 313.358 -1.428 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149599646 779637872 /nfs/dbraw/zinc/63/78/72/779637872.db2.gz KMYKKGDIVAVUNU-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149599646 779637875 /nfs/dbraw/zinc/63/78/75/779637875.db2.gz KMYKKGDIVAVUNU-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN2CN=NC2=O)C1 ZINC001149586590 779637889 /nfs/dbraw/zinc/63/78/89/779637889.db2.gz BLRDZRMBTFDYFU-MNOVXSKESA-N 1 1 313.358 -1.428 20 0 DAADMO CNc1ccc2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n2n1 ZINC001149640843 779638202 /nfs/dbraw/zinc/63/82/02/779638202.db2.gz CPTQMBKIACEMMY-SDDRHHMPSA-N 1 1 317.357 -2.096 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COC)CCCO1 ZINC001149599926 779638755 /nfs/dbraw/zinc/63/87/55/779638755.db2.gz MQKSKANXBKQDPF-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1cc2nnc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c(C)n2n1 ZINC001149625554 779638769 /nfs/dbraw/zinc/63/87/69/779638769.db2.gz PUDMUALXDHRAHQ-SDDRHHMPSA-N 1 1 317.357 -2.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149615929 779638918 /nfs/dbraw/zinc/63/89/18/779638918.db2.gz TWJKEDXCPAHBOI-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC(=O)NC)C1 ZINC001149615929 779638922 /nfs/dbraw/zinc/63/89/22/779638922.db2.gz TWJKEDXCPAHBOI-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001149622828 779639311 /nfs/dbraw/zinc/63/93/11/779639311.db2.gz GHFJQGLOMIRUII-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149740472 779640149 /nfs/dbraw/zinc/64/01/49/779640149.db2.gz ZCCPDGNDYVEHDC-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO COCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739050 779640188 /nfs/dbraw/zinc/64/01/88/779640188.db2.gz JZVVXJVFQRQMMT-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739049 779640352 /nfs/dbraw/zinc/64/03/52/779640352.db2.gz JZVVXJVFQRQMMT-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149721677 779640733 /nfs/dbraw/zinc/64/07/33/779640733.db2.gz PJHNWUUTRWQURS-OLZOCXBDSA-N 1 1 302.371 -1.009 20 0 DAADMO CCOCC[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740408 779640986 /nfs/dbraw/zinc/64/09/86/779640986.db2.gz XSCWWEYEKOOSTA-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149682361 779641001 /nfs/dbraw/zinc/64/10/01/779641001.db2.gz WSYXJIKCZCODPQ-VXGBXAGGSA-N 1 1 316.402 -1.107 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740618 779641038 /nfs/dbraw/zinc/64/10/38/779641038.db2.gz ZHOYVBKYKCKDJF-NEPJUHHUSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738568 779641155 /nfs/dbraw/zinc/64/11/55/779641155.db2.gz DJMRQYOYAJHBIC-UWVGGRQHSA-N 1 1 311.346 -2.246 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738568 779641158 /nfs/dbraw/zinc/64/11/58/779641158.db2.gz DJMRQYOYAJHBIC-UWVGGRQHSA-N 1 1 311.346 -2.246 20 0 DAADMO COC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738623 779641361 /nfs/dbraw/zinc/64/13/61/779641361.db2.gz FRGMDRRBYJWURL-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001149740470 779641474 /nfs/dbraw/zinc/64/14/74/779641474.db2.gz ZCCPDGNDYVEHDC-JTQLQIEISA-N 1 1 310.358 -1.396 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149816826 779642400 /nfs/dbraw/zinc/64/24/00/779642400.db2.gz HHPIPEPMINWUKD-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149816826 779642404 /nfs/dbraw/zinc/64/24/04/779642404.db2.gz HHPIPEPMINWUKD-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149816454 779642415 /nfs/dbraw/zinc/64/24/15/779642415.db2.gz AXLXUIOGEQXEPF-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795255 779642500 /nfs/dbraw/zinc/64/25/00/779642500.db2.gz ASYFADXDSWRNDY-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795255 779642502 /nfs/dbraw/zinc/64/25/02/779642502.db2.gz ASYFADXDSWRNDY-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001149816456 779642825 /nfs/dbraw/zinc/64/28/25/779642825.db2.gz AXLXUIOGEQXEPF-QWRGUYRKSA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795553 779642843 /nfs/dbraw/zinc/64/28/43/779642843.db2.gz DARIPZOPVPHBFL-GHMZBOCLSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795553 779642847 /nfs/dbraw/zinc/64/28/47/779642847.db2.gz DARIPZOPVPHBFL-GHMZBOCLSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CNC(=O)c1ccco1)c1nnnn1C ZINC001149883358 779644245 /nfs/dbraw/zinc/64/42/45/779644245.db2.gz ATHYKOWKTKLRNC-SECBINFHSA-N 1 1 321.341 -1.000 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001149936842 779645505 /nfs/dbraw/zinc/64/55/05/779645505.db2.gz OPXOLWYEJVPUHS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936842 779645510 /nfs/dbraw/zinc/64/55/10/779645510.db2.gz OPXOLWYEJVPUHS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936842 779645515 /nfs/dbraw/zinc/64/55/15/779645515.db2.gz OPXOLWYEJVPUHS-GHMZBOCLSA-N 1 1 313.358 -1.367 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@H+](CCF)CCCO2)c1=O ZINC001149921285 779645584 /nfs/dbraw/zinc/64/55/84/779645584.db2.gz MDBFLRQOFGIKHE-NSHDSACASA-N 1 1 315.349 -1.242 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CCF)CCCO2)c1=O ZINC001149921285 779645592 /nfs/dbraw/zinc/64/55/92/779645592.db2.gz MDBFLRQOFGIKHE-NSHDSACASA-N 1 1 315.349 -1.242 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001150021621 779645921 /nfs/dbraw/zinc/64/59/21/779645921.db2.gz KQLATVDZWZYEDU-JTQLQIEISA-N 1 1 308.404 -1.733 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001149937531 779646526 /nfs/dbraw/zinc/64/65/26/779646526.db2.gz UEYHKYKVZJMPJI-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC001149924726 779646703 /nfs/dbraw/zinc/64/67/03/779646703.db2.gz KVMLNQZURYHTEG-UHFFFAOYSA-N 1 1 323.357 -1.351 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001149936845 779646816 /nfs/dbraw/zinc/64/68/16/779646816.db2.gz OPXOLWYEJVPUHS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936845 779646823 /nfs/dbraw/zinc/64/68/23/779646823.db2.gz OPXOLWYEJVPUHS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001149936845 779646829 /nfs/dbraw/zinc/64/68/29/779646829.db2.gz OPXOLWYEJVPUHS-QWRGUYRKSA-N 1 1 313.358 -1.367 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130151 779648045 /nfs/dbraw/zinc/64/80/45/779648045.db2.gz KWTBJNLKKJCJPH-UHFFFAOYSA-N 1 1 320.357 -1.304 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(=O)n(C)n1)c1nnnn1C ZINC001150130404 779648291 /nfs/dbraw/zinc/64/82/91/779648291.db2.gz QHKLAPKRCBJZGG-MRVPVSSYSA-N 1 1 306.330 -1.616 20 0 DAADMO Cn1cc(OCC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)cn1 ZINC001150180515 779649037 /nfs/dbraw/zinc/64/90/37/779649037.db2.gz ZYHPNFSIIMZIHO-LBPRGKRZSA-N 1 1 312.370 -1.002 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202330 779649308 /nfs/dbraw/zinc/64/93/08/779649308.db2.gz GCXRFLRYTCTDKZ-VHSXEESVSA-N 1 1 312.370 -1.667 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150202330 779649310 /nfs/dbraw/zinc/64/93/10/779649310.db2.gz GCXRFLRYTCTDKZ-VHSXEESVSA-N 1 1 312.370 -1.667 20 0 DAADMO CN(C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1)C1CC1 ZINC001150210349 779649508 /nfs/dbraw/zinc/64/95/08/779649508.db2.gz CUTPTDMBCDDHLR-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CN(C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1)C1CC1 ZINC001150210349 779649511 /nfs/dbraw/zinc/64/95/11/779649511.db2.gz CUTPTDMBCDDHLR-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212204 779649977 /nfs/dbraw/zinc/64/99/77/779649977.db2.gz PGSMRSNOEMVCRQ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212204 779649983 /nfs/dbraw/zinc/64/99/83/779649983.db2.gz PGSMRSNOEMVCRQ-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO Cn1nc(C(=O)NCC[NH2+]Cc2ncnn2CCF)ccc1=O ZINC001150151030 779649995 /nfs/dbraw/zinc/64/99/95/779649995.db2.gz VIINYNFPVZIXGA-UHFFFAOYSA-N 1 1 323.332 -1.139 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232453 779650483 /nfs/dbraw/zinc/65/04/83/779650483.db2.gz FACUMIIPYQCEON-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232453 779650486 /nfs/dbraw/zinc/65/04/86/779650486.db2.gz FACUMIIPYQCEON-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1ncc(C[N@@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150219667 779650524 /nfs/dbraw/zinc/65/05/24/779650524.db2.gz QEVXMGLBQHRCSG-LBPRGKRZSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1ncc(C[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150219667 779650525 /nfs/dbraw/zinc/65/05/25/779650525.db2.gz QEVXMGLBQHRCSG-LBPRGKRZSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232146 779650836 /nfs/dbraw/zinc/65/08/36/779650836.db2.gz ABPMHYLQKRLXJC-YUMQZZPRSA-N 1 1 315.330 -2.738 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150232146 779650841 /nfs/dbraw/zinc/65/08/41/779650841.db2.gz ABPMHYLQKRLXJC-YUMQZZPRSA-N 1 1 315.330 -2.738 20 0 DAADMO Cc1nccnc1C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219262 779651039 /nfs/dbraw/zinc/65/10/39/779651039.db2.gz NLUOESFJZZZTBM-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1nccnc1C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219262 779651043 /nfs/dbraw/zinc/65/10/43/779651043.db2.gz NLUOESFJZZZTBM-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150217630 779651271 /nfs/dbraw/zinc/65/12/71/779651271.db2.gz AFSQOWNZXNHKBC-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150217630 779651277 /nfs/dbraw/zinc/65/12/77/779651277.db2.gz AFSQOWNZXNHKBC-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCCOCC[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150220297 779651295 /nfs/dbraw/zinc/65/12/95/779651295.db2.gz VINPCTIMZCIDHA-NSHDSACASA-N 1 1 303.359 -1.658 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001150220583 779651365 /nfs/dbraw/zinc/65/13/65/779651365.db2.gz XTHHOZYZTUGYAN-WDEREUQCSA-N 1 1 322.369 -1.542 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150233465 779652070 /nfs/dbraw/zinc/65/20/70/779652070.db2.gz ORMKWHHVPQPPCD-MWLCHTKSSA-N 1 1 312.370 -1.654 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150233465 779652074 /nfs/dbraw/zinc/65/20/74/779652074.db2.gz ORMKWHHVPQPPCD-MWLCHTKSSA-N 1 1 312.370 -1.654 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)Cn1cncn1 ZINC001150260787 779652501 /nfs/dbraw/zinc/65/25/01/779652501.db2.gz GXORQERCRIJTEH-UHFFFAOYSA-N 1 1 307.362 -1.074 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1nncn1C ZINC001150331059 779653160 /nfs/dbraw/zinc/65/31/60/779653160.db2.gz FBYSRCJEGUMIMQ-MRVPVSSYSA-N 1 1 309.330 -1.866 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2nnnn2C)C1=O ZINC001150331691 779653326 /nfs/dbraw/zinc/65/33/26/779653326.db2.gz MVNUHHCYVNOQFI-UHFFFAOYSA-N 1 1 310.318 -2.690 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CN(C)C1=O)c1nnnn1C ZINC001150331397 779653417 /nfs/dbraw/zinc/65/34/17/779653417.db2.gz JBPZGPWNHHRWPA-MRVPVSSYSA-N 1 1 324.345 -2.129 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CNC1=O)c1nnnn1C ZINC001150332031 779653508 /nfs/dbraw/zinc/65/35/08/779653508.db2.gz QSJMGSABZGGLDY-SSDOTTSWSA-N 1 1 310.318 -2.471 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)n1 ZINC001150324073 779653948 /nfs/dbraw/zinc/65/39/48/779653948.db2.gz GKKOKPSITRPGJM-ZDUSSCGKSA-N 1 1 311.386 -1.053 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150349834 779654688 /nfs/dbraw/zinc/65/46/88/779654688.db2.gz JKASVAUMHSVEBA-UHFFFAOYSA-N 1 1 323.357 -1.383 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)on1 ZINC001150339623 779654939 /nfs/dbraw/zinc/65/49/39/779654939.db2.gz OZDZDMXFFKCOBM-UHFFFAOYSA-N 1 1 311.298 -1.559 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150398683 779656175 /nfs/dbraw/zinc/65/61/75/779656175.db2.gz AARDPBBDDCOBGB-QMMMGPOBSA-N 1 1 309.330 -1.991 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)n1 ZINC001150400747 779656202 /nfs/dbraw/zinc/65/62/02/779656202.db2.gz QYBIBVDRFUNASB-SNVBAGLBSA-N 1 1 308.342 -1.386 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150399506 779656241 /nfs/dbraw/zinc/65/62/41/779656241.db2.gz GIKUKUQELHEZOS-SECBINFHSA-N 1 1 308.342 -1.386 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150380321 779656962 /nfs/dbraw/zinc/65/69/62/779656962.db2.gz ROBPKWQAHWJMSC-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)nn1C ZINC001150401782 779657322 /nfs/dbraw/zinc/65/73/22/779657322.db2.gz ZFLUYJQBIYGVMQ-LLVKDONJSA-N 1 1 322.369 -1.077 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCNC(N)=O)c1nnnn1C1CC1 ZINC001150424638 779657748 /nfs/dbraw/zinc/65/77/48/779657748.db2.gz XEJIKNHPWWYNFU-QMMMGPOBSA-N 1 1 310.362 -1.167 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnns1 ZINC001150401759 779658077 /nfs/dbraw/zinc/65/80/77/779658077.db2.gz ZBXPSXNJKJCJIK-MRVPVSSYSA-N 1 1 312.355 -1.268 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)CCNC(N)=O)nnc1C1CC1 ZINC001150413456 779658083 /nfs/dbraw/zinc/65/80/83/779658083.db2.gz CPTOANFCRJOTKM-UHFFFAOYSA-N 1 1 309.374 -1.043 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nccnc1C(N)=O)c1nncn1C ZINC001150444747 779658650 /nfs/dbraw/zinc/65/86/50/779658650.db2.gz WVBMIAVGYYHLIK-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2nccnc2C(N)=O)[nH]1 ZINC001150444853 779659276 /nfs/dbraw/zinc/65/92/76/779659276.db2.gz WVRWVEHNECSDDZ-UHFFFAOYSA-N 1 1 304.314 -1.478 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCOCCO)CCCO1)c1cnon1 ZINC001150462532 779660602 /nfs/dbraw/zinc/66/06/02/779660602.db2.gz YCYKHWCOYIKEAE-LLVKDONJSA-N 1 1 314.342 -1.101 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001150469957 779660799 /nfs/dbraw/zinc/66/07/99/779660799.db2.gz LPJTXHRCDBPVNS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469957 779660804 /nfs/dbraw/zinc/66/08/04/779660804.db2.gz LPJTXHRCDBPVNS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001150469957 779660810 /nfs/dbraw/zinc/66/08/10/779660810.db2.gz LPJTXHRCDBPVNS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469957 779660818 /nfs/dbraw/zinc/66/08/18/779660818.db2.gz LPJTXHRCDBPVNS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001150469957 779660822 /nfs/dbraw/zinc/66/08/22/779660822.db2.gz LPJTXHRCDBPVNS-MNOVXSKESA-N 1 1 313.358 -1.367 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CN1C(=O)CCC1=O ZINC001150473924 779661608 /nfs/dbraw/zinc/66/16/08/779661608.db2.gz VFXSGCHJPLNLOQ-UHFFFAOYSA-N 1 1 323.357 -1.391 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001150498518 779662000 /nfs/dbraw/zinc/66/20/00/779662000.db2.gz OHECOMVNGKYXSR-GFCCVEGCSA-N 1 1 312.374 -1.083 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C1CCN(C(N)=O)CC1)c1nnnn1C ZINC001150517598 779662236 /nfs/dbraw/zinc/66/22/36/779662236.db2.gz NNIHIZVOCRVRPD-SECBINFHSA-N 1 1 324.389 -1.232 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c(=O)c3ccccc32)[C@@H]2NCN[C@H]21 ZINC001150616555 779663017 /nfs/dbraw/zinc/66/30/17/779663017.db2.gz CBDNBBBJKSNVJV-TUAOUCFPSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579564 779663202 /nfs/dbraw/zinc/66/32/02/779663202.db2.gz NPDREYSCSBCFCG-MNOVXSKESA-N 1 1 324.385 -1.182 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579564 779663210 /nfs/dbraw/zinc/66/32/10/779663210.db2.gz NPDREYSCSBCFCG-MNOVXSKESA-N 1 1 324.385 -1.182 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2n1 ZINC001150597516 779663539 /nfs/dbraw/zinc/66/35/39/779663539.db2.gz HNULJBVDMWBJSE-AVGNSLFASA-N 1 1 316.369 -1.521 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc2n1 ZINC001150597518 779663727 /nfs/dbraw/zinc/66/37/27/779663727.db2.gz HNULJBVDMWBJSE-RWMBFGLXSA-N 1 1 316.369 -1.521 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150580630 779663979 /nfs/dbraw/zinc/66/39/79/779663979.db2.gz WRFHLFMXZQZELD-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150580630 779663982 /nfs/dbraw/zinc/66/39/82/779663982.db2.gz WRFHLFMXZQZELD-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579332 779664081 /nfs/dbraw/zinc/66/40/81/779664081.db2.gz MCKTZRSBNQNSMQ-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001150579332 779664084 /nfs/dbraw/zinc/66/40/84/779664084.db2.gz MCKTZRSBNQNSMQ-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150700133 779665478 /nfs/dbraw/zinc/66/54/78/779665478.db2.gz SXDNUTHBIQRGDN-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150700133 779665482 /nfs/dbraw/zinc/66/54/82/779665482.db2.gz SXDNUTHBIQRGDN-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150684823 779665628 /nfs/dbraw/zinc/66/56/28/779665628.db2.gz AYBLUZISGFGJCF-SNVBAGLBSA-N 1 1 316.333 -1.285 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150684823 779665632 /nfs/dbraw/zinc/66/56/32/779665632.db2.gz AYBLUZISGFGJCF-SNVBAGLBSA-N 1 1 316.333 -1.285 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150731978 779665960 /nfs/dbraw/zinc/66/59/60/779665960.db2.gz WBJILONDDFZGFJ-SNVBAGLBSA-N 1 1 311.379 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150731978 779665962 /nfs/dbraw/zinc/66/59/62/779665962.db2.gz WBJILONDDFZGFJ-SNVBAGLBSA-N 1 1 311.379 -1.288 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(CC(N)=O)CCCO1 ZINC001150726070 779665974 /nfs/dbraw/zinc/66/59/74/779665974.db2.gz ZGADBPRJVPVCEL-GFCCVEGCSA-N 1 1 309.370 -1.116 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cc1 ZINC001150753185 779666242 /nfs/dbraw/zinc/66/62/42/779666242.db2.gz HEGXOTHIZZUNPC-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCOC)CCCO1 ZINC001150731071 779666649 /nfs/dbraw/zinc/66/66/49/779666649.db2.gz BTZOKZKWPGKEDH-NSHDSACASA-N 1 1 323.415 -1.611 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810521 779666926 /nfs/dbraw/zinc/66/69/26/779666926.db2.gz FPPDFDSBXNLTJH-GHMZBOCLSA-N 1 1 314.386 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810521 779666930 /nfs/dbraw/zinc/66/69/30/779666930.db2.gz FPPDFDSBXNLTJH-GHMZBOCLSA-N 1 1 314.386 -1.277 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150830748 779667157 /nfs/dbraw/zinc/66/71/57/779667157.db2.gz IWPOQKCVYJBAPT-QWRGUYRKSA-N 1 1 313.354 -1.761 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2NCN[C@H]21 ZINC001150960294 779668314 /nfs/dbraw/zinc/66/83/14/779668314.db2.gz YHXYVJNNEIOTPC-XQQFMLRXSA-N 1 1 315.333 -1.074 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001150984321 779669282 /nfs/dbraw/zinc/66/92/82/779669282.db2.gz QSULXNHJQFHFHT-SSDOTTSWSA-N 1 1 321.341 -1.007 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)c1nnnn1C ZINC001150977918 779669426 /nfs/dbraw/zinc/66/94/26/779669426.db2.gz LVWDTYYBAJRGMI-ZETCQYMHSA-N 1 1 322.329 -1.910 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150978574 779669577 /nfs/dbraw/zinc/66/95/77/779669577.db2.gz USLNBERCYWLMFC-UHFFFAOYSA-N 1 1 321.341 -1.383 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC001150984325 779669642 /nfs/dbraw/zinc/66/96/42/779669642.db2.gz QSULXNHJQFHFHT-ZETCQYMHSA-N 1 1 321.341 -1.007 20 0 DAADMO COCCC1(NC(=O)CC(N)=O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001151037793 779669841 /nfs/dbraw/zinc/66/98/41/779669841.db2.gz VGEQJPMWKFBXTR-SNVBAGLBSA-N 1 1 314.386 -1.277 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H]2NCN[C@H]21 ZINC001151067731 779671706 /nfs/dbraw/zinc/67/17/06/779671706.db2.gz ZRRIPVOOQGNDBB-QJPTWQEYSA-N 1 1 304.354 -1.591 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]Cc1cnnn1C ZINC001151156475 779672327 /nfs/dbraw/zinc/67/23/27/779672327.db2.gz DHLFMULMIJXXFJ-LBPRGKRZSA-N 1 1 310.402 -1.011 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001151159365 779672547 /nfs/dbraw/zinc/67/25/47/779672547.db2.gz SNIADXCFFPQZHC-GFCCVEGCSA-N 1 1 300.403 -1.251 20 0 DAADMO CC[C@H]([NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1)C(N)=O ZINC001151156745 779672579 /nfs/dbraw/zinc/67/25/79/779672579.db2.gz GTCNBYDDEIYYFL-RYUDHWBXSA-N 1 1 300.403 -1.076 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001151159276 779673064 /nfs/dbraw/zinc/67/30/64/779673064.db2.gz RIGAUUQHGTVQCV-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1cnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cnn2c1 ZINC001151148710 779673080 /nfs/dbraw/zinc/67/30/80/779673080.db2.gz OZFUNFPXFMRPPF-JFGNBEQYSA-N 1 1 302.342 -1.830 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001151157370 779673233 /nfs/dbraw/zinc/67/32/33/779673233.db2.gz KQGBCIMICBEUJB-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151159470 779673259 /nfs/dbraw/zinc/67/32/59/779673259.db2.gz UCYOLIABUVTNQQ-GFCCVEGCSA-N 1 1 300.403 -1.203 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001151157380 779673429 /nfs/dbraw/zinc/67/34/29/779673429.db2.gz KQGBCIMICBEUJB-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151159258 779673517 /nfs/dbraw/zinc/67/35/17/779673517.db2.gz RFKMHGXTACDWPG-NWDGAFQWSA-N 1 1 300.403 -1.205 20 0 DAADMO NC(=O)c1cc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)c[nH]1 ZINC001151172991 779673548 /nfs/dbraw/zinc/67/35/48/779673548.db2.gz AYJLHFVIGLYGIL-UHFFFAOYSA-N 1 1 318.341 -1.045 20 0 DAADMO CC[C@H]([NH2+]CCNC(=O)[C@H](C)CN1CCOCC1)C(N)=O ZINC001151156740 779673577 /nfs/dbraw/zinc/67/35/77/779673577.db2.gz GTCNBYDDEIYYFL-NEPJUHHUSA-N 1 1 300.403 -1.076 20 0 DAADMO COCCC1(NC(=O)C(N)=O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001151281876 779674426 /nfs/dbraw/zinc/67/44/26/779674426.db2.gz RYEWPHMHNJUDRM-SNVBAGLBSA-N 1 1 312.370 -1.653 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cncc(C(N)=O)c2)nn1 ZINC001151318212 779675478 /nfs/dbraw/zinc/67/54/78/779675478.db2.gz OMQLHUCNSFOVRV-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1ncccn1 ZINC001151306488 779675553 /nfs/dbraw/zinc/67/55/53/779675553.db2.gz IZDCCDTXWXBXOC-NXEZZACHSA-N 1 1 313.383 -1.065 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1ncccn1 ZINC001151306489 779675706 /nfs/dbraw/zinc/67/57/06/779675706.db2.gz IZDCCDTXWXBXOC-UWVGGRQHSA-N 1 1 313.383 -1.065 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cncc(C(N)=O)c1)c1nnnn1C ZINC001151318735 779676870 /nfs/dbraw/zinc/67/68/70/779676870.db2.gz XWFKFHHJSKJOEH-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cnc2ccnn21 ZINC001151433401 779678537 /nfs/dbraw/zinc/67/85/37/779678537.db2.gz CCCBHSDBSJKCGI-SDDRHHMPSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(ncnc3Cl)[nH]2)[C@@H]2NCN[C@@H]21 ZINC001151568790 779679346 /nfs/dbraw/zinc/67/93/46/779679346.db2.gz OVAIMBDUSLTUMH-ZOFUNIGCSA-N 1 1 322.760 -1.256 20 0 DAADMO Cn1cc2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc2n1 ZINC001151521536 779679558 /nfs/dbraw/zinc/67/95/58/779679558.db2.gz DBMHETHDMMGRMK-AGIUHOORSA-N 1 1 301.354 -1.294 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CNC(C)=O ZINC001151584177 779680158 /nfs/dbraw/zinc/68/01/58/779680158.db2.gz VMGQVQGTFYKKHP-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CNC(C)=O ZINC001151584177 779680161 /nfs/dbraw/zinc/68/01/61/779680161.db2.gz VMGQVQGTFYKKHP-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO Cn1cc2ccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc2n1 ZINC001151521541 779680196 /nfs/dbraw/zinc/68/01/96/779680196.db2.gz DBMHETHDMMGRMK-FRRDWIJNSA-N 1 1 301.354 -1.294 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001151588162 779680883 /nfs/dbraw/zinc/68/08/83/779680883.db2.gz WZQVEWMCQWHUJN-CMPLNLGQSA-N 1 1 324.385 -1.171 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001151588165 779681040 /nfs/dbraw/zinc/68/10/40/779681040.db2.gz WZQVEWMCQWHUJN-ZYHUDNBSSA-N 1 1 324.385 -1.171 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001151586315 779681269 /nfs/dbraw/zinc/68/12/69/779681269.db2.gz IYSOGZFZSVQJSP-CYBMUJFWSA-N 1 1 309.370 -1.127 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001151588163 779681412 /nfs/dbraw/zinc/68/14/12/779681412.db2.gz WZQVEWMCQWHUJN-JQWIXIFHSA-N 1 1 324.385 -1.171 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCN[C@H](C)c2nnnn2C)C1 ZINC001151736892 779681763 /nfs/dbraw/zinc/68/17/63/779681763.db2.gz AKIQJKVOIYWSET-GHMZBOCLSA-N 1 1 311.390 -1.302 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCN[C@H](C)c2nnnn2C)C1 ZINC001151736892 779681771 /nfs/dbraw/zinc/68/17/71/779681771.db2.gz AKIQJKVOIYWSET-GHMZBOCLSA-N 1 1 311.390 -1.302 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001151707845 779682778 /nfs/dbraw/zinc/68/27/78/779682778.db2.gz QVRKOMVOWMSLJL-VIFPVBQESA-N 1 1 304.358 -1.056 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)c1ccccn1 ZINC001152066005 779685209 /nfs/dbraw/zinc/68/52/09/779685209.db2.gz BGLFGHSZYBVAFM-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cccnc1C(N)=O ZINC001151966992 779685371 /nfs/dbraw/zinc/68/53/71/779685371.db2.gz IGJLAGCYISVFQR-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152097285 779686615 /nfs/dbraw/zinc/68/66/15/779686615.db2.gz LECPDAJKVIYBKE-UHFFFAOYSA-N 1 1 319.391 -2.303 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001152097617 779686627 /nfs/dbraw/zinc/68/66/27/779686627.db2.gz RDKUIQGNYYGYAR-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)c2ccccn2)nn1 ZINC001152067660 779687134 /nfs/dbraw/zinc/68/71/34/779687134.db2.gz YLDUONIHKPRJOB-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(=O)OC ZINC001152104316 779687251 /nfs/dbraw/zinc/68/72/51/779687251.db2.gz UMSJJOXWGZSTBE-MRVPVSSYSA-N 1 1 317.346 -1.636 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(=O)OC ZINC001152104316 779687256 /nfs/dbraw/zinc/68/72/56/779687256.db2.gz UMSJJOXWGZSTBE-MRVPVSSYSA-N 1 1 317.346 -1.636 20 0 DAADMO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152165157 779687797 /nfs/dbraw/zinc/68/77/97/779687797.db2.gz PVLFIIJRSRNRBV-MNOVXSKESA-N 1 1 310.416 -1.135 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001152165157 779687803 /nfs/dbraw/zinc/68/78/03/779687803.db2.gz PVLFIIJRSRNRBV-MNOVXSKESA-N 1 1 310.416 -1.135 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152156253 779688527 /nfs/dbraw/zinc/68/85/27/779688527.db2.gz NNJMZTHRASZDBV-JTQLQIEISA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254877 779689173 /nfs/dbraw/zinc/68/91/73/779689173.db2.gz WGQAZIYLUQHCLZ-UHFFFAOYSA-N 1 1 322.333 -3.176 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)no1 ZINC001152260800 779689312 /nfs/dbraw/zinc/68/93/12/779689312.db2.gz PDQTWWKAUTXJOE-UHFFFAOYSA-N 1 1 321.341 -1.403 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2nccs2)nn1 ZINC001152410219 779691615 /nfs/dbraw/zinc/69/16/15/779691615.db2.gz XMKMFENNBMTZJJ-UHFFFAOYSA-N 1 1 309.355 -1.261 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409680 779692129 /nfs/dbraw/zinc/69/21/29/779692129.db2.gz MCSLPSSKWZMKLU-UHFFFAOYSA-N 1 1 306.330 -1.984 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)[nH]1 ZINC001152414621 779692190 /nfs/dbraw/zinc/69/21/90/779692190.db2.gz FMVRCUFXIHZADY-UHFFFAOYSA-N 1 1 307.318 -2.290 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409905 779692242 /nfs/dbraw/zinc/69/22/42/779692242.db2.gz OZNGLNPRPBNVAG-UHFFFAOYSA-N 1 1 307.318 -2.589 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccon2)nn1 ZINC001152421000 779692796 /nfs/dbraw/zinc/69/27/96/779692796.db2.gz OVWOMAJDXPSTFP-UHFFFAOYSA-N 1 1 321.341 -1.126 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001152439408 779693294 /nfs/dbraw/zinc/69/32/94/779693294.db2.gz KSSCHPZXRAWBAY-UHFFFAOYSA-N 1 1 313.402 -2.009 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001152439408 779693299 /nfs/dbraw/zinc/69/32/99/779693299.db2.gz KSSCHPZXRAWBAY-UHFFFAOYSA-N 1 1 313.402 -2.009 20 0 DAADMO CC[N@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152507272 779694055 /nfs/dbraw/zinc/69/40/55/779694055.db2.gz WVNANCHUEMWAMC-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CC[N@@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152507272 779694060 /nfs/dbraw/zinc/69/40/60/779694060.db2.gz WVNANCHUEMWAMC-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n2C)n1C ZINC001152691500 779695359 /nfs/dbraw/zinc/69/53/59/779695359.db2.gz PIGCLDGOAQLVQB-UHFFFAOYSA-N 1 1 321.385 -1.066 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940448 779699906 /nfs/dbraw/zinc/69/99/06/779699906.db2.gz XUKXKLNNEKXACD-OUAUKWLOSA-N 1 1 304.391 -1.123 20 0 DAADMO COC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CCOCCO)O1 ZINC001153231666 779701230 /nfs/dbraw/zinc/70/12/30/779701230.db2.gz AGPLAUUQSQAHFN-NEPJUHHUSA-N 1 1 318.370 -1.236 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001153070456 779701992 /nfs/dbraw/zinc/70/19/92/779701992.db2.gz HXGIWMGSPZNETN-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373337 779702559 /nfs/dbraw/zinc/70/25/59/779702559.db2.gz WLGWYSLAFSSFAL-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153372654 779703548 /nfs/dbraw/zinc/70/35/48/779703548.db2.gz NASFELARXJKXCC-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001153319484 779703705 /nfs/dbraw/zinc/70/37/05/779703705.db2.gz JQLJRVNLPSILSJ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001153319484 779703709 /nfs/dbraw/zinc/70/37/09/779703709.db2.gz JQLJRVNLPSILSJ-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001153274134 779703836 /nfs/dbraw/zinc/70/38/36/779703836.db2.gz YXUVNJWHEIQVIK-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001153274134 779703844 /nfs/dbraw/zinc/70/38/44/779703844.db2.gz YXUVNJWHEIQVIK-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001153501254 779704980 /nfs/dbraw/zinc/70/49/80/779704980.db2.gz IIMATPBFLPFMRW-SNVBAGLBSA-N 1 1 312.374 -1.414 20 0 DAADMO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555737 779706978 /nfs/dbraw/zinc/70/69/78/779706978.db2.gz UNZHFNOYPZLJMT-LLVKDONJSA-N 1 1 322.427 -1.134 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001153555737 779706987 /nfs/dbraw/zinc/70/69/87/779706987.db2.gz UNZHFNOYPZLJMT-LLVKDONJSA-N 1 1 322.427 -1.134 20 0 DAADMO Cn1ncc2cccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c21 ZINC001153692397 779707771 /nfs/dbraw/zinc/70/77/71/779707771.db2.gz SOHADJCOGRMVCP-DRZSPHRISA-N 1 1 301.354 -1.294 20 0 DAADMO CC(C)CC(=O)NCCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001153604978 779707833 /nfs/dbraw/zinc/70/78/33/779707833.db2.gz CPNJBKDJZCEXGT-UHFFFAOYSA-N 1 1 311.390 -1.032 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CCNC(=O)[C@@H]2CCCO2)n1 ZINC001153599189 779707870 /nfs/dbraw/zinc/70/78/70/779707870.db2.gz XLORCLPNUVBCIC-LBPRGKRZSA-N 1 1 324.385 -1.294 20 0 DAADMO Cn1cc(CCC(=O)NCC[NH2+]Cc2nnnn2C2CC2)nn1 ZINC001153761465 779708923 /nfs/dbraw/zinc/70/89/23/779708923.db2.gz KDDYZEKDYVSCPY-UHFFFAOYSA-N 1 1 319.373 -1.025 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001153729006 779709925 /nfs/dbraw/zinc/70/99/25/779709925.db2.gz YMLXMNFEWAMZOH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001153729006 779709931 /nfs/dbraw/zinc/70/99/31/779709931.db2.gz YMLXMNFEWAMZOH-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CC(=O)N[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)C(C)(C)C ZINC001153714292 779709978 /nfs/dbraw/zinc/70/99/78/779709978.db2.gz IKUIPUOSMAAZOD-LLVKDONJSA-N 1 1 311.390 -1.033 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)nc[nH]c3=O)[C@@H]2NCN[C@@H]21 ZINC001153762695 779710096 /nfs/dbraw/zinc/71/00/96/779710096.db2.gz JWRVCYVDYWULES-UTUOFQBUSA-N 1 1 315.337 -1.532 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153777222 779711299 /nfs/dbraw/zinc/71/12/99/779711299.db2.gz KHHCUSSKMQVWQY-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001153883168 779712298 /nfs/dbraw/zinc/71/22/98/779712298.db2.gz YCBBSCKHRWERII-MRVPVSSYSA-N 1 1 321.341 -1.733 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)on1 ZINC001153883082 779712585 /nfs/dbraw/zinc/71/25/85/779712585.db2.gz VPJCKAXVFIKVNN-MRVPVSSYSA-N 1 1 310.310 -1.058 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001153883225 779712877 /nfs/dbraw/zinc/71/28/77/779712877.db2.gz ZSWXZOAWWZCLDN-SECBINFHSA-N 1 1 308.342 -1.443 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001153864188 779713012 /nfs/dbraw/zinc/71/30/12/779713012.db2.gz GWWYIPHEILTMGZ-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001153864188 779713018 /nfs/dbraw/zinc/71/30/18/779713018.db2.gz GWWYIPHEILTMGZ-BDAKNGLRSA-N 1 1 313.358 -1.843 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001153903524 779714415 /nfs/dbraw/zinc/71/44/15/779714415.db2.gz AQSZKPOQUHLHFK-MRVPVSSYSA-N 1 1 315.374 -1.481 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001153903524 779714420 /nfs/dbraw/zinc/71/44/20/779714420.db2.gz AQSZKPOQUHLHFK-MRVPVSSYSA-N 1 1 315.374 -1.481 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cc(C(N)=O)ccn2)nn1 ZINC001153930361 779715467 /nfs/dbraw/zinc/71/54/67/779715467.db2.gz ZBVYKBKRABKBBL-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153930220 779716111 /nfs/dbraw/zinc/71/61/11/779716111.db2.gz UCVTXLXHBLLYSW-UHFFFAOYSA-N 1 1 304.314 -1.776 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154083272 779716979 /nfs/dbraw/zinc/71/69/79/779716979.db2.gz ORIAXMCMMUYHSL-GFCCVEGCSA-N 1 1 300.403 -1.421 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C(=O)NCC(F)F ZINC001154112142 779717147 /nfs/dbraw/zinc/71/71/47/779717147.db2.gz ARMJYGWRNXBXBH-MRVPVSSYSA-N 1 1 308.329 -1.060 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C(=O)NCC(F)F ZINC001154112142 779717150 /nfs/dbraw/zinc/71/71/50/779717150.db2.gz ARMJYGWRNXBXBH-MRVPVSSYSA-N 1 1 308.329 -1.060 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccn3c2F)[C@H]2NCN[C@@H]21 ZINC001154249152 779718078 /nfs/dbraw/zinc/71/80/78/779718078.db2.gz GLCRASJXJWRRNM-YUSALJHKSA-N 1 1 305.317 -1.394 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc3ccccn3c2F)[C@@H]2NCN[C@H]21 ZINC001154249150 779718558 /nfs/dbraw/zinc/71/85/58/779718558.db2.gz GLCRASJXJWRRNM-WCQGTBRESA-N 1 1 305.317 -1.394 20 0 DAADMO CN1Cc2cccc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2C1=O ZINC001154333717 779718742 /nfs/dbraw/zinc/71/87/42/779718742.db2.gz XELHCDHVUAXLEA-FRRDWIJNSA-N 1 1 316.365 -1.595 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001154448733 779720356 /nfs/dbraw/zinc/72/03/56/779720356.db2.gz ZFLOGXNKOQSMIV-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001154448733 779720363 /nfs/dbraw/zinc/72/03/63/779720363.db2.gz ZFLOGXNKOQSMIV-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154468890 779721070 /nfs/dbraw/zinc/72/10/70/779721070.db2.gz GIHNWDWJWDPWMF-SNVBAGLBSA-N 1 1 310.420 -1.487 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)Cn2cnnn2)n1 ZINC001154503697 779722518 /nfs/dbraw/zinc/72/25/18/779722518.db2.gz XYFCJNIQLJPOJS-UHFFFAOYSA-N 1 1 310.318 -1.501 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620303 779723838 /nfs/dbraw/zinc/72/38/38/779723838.db2.gz HBRJAUXMBMBRSN-VXGBXAGGSA-N 1 1 316.402 -1.155 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001154602262 779724394 /nfs/dbraw/zinc/72/43/94/779724394.db2.gz XQWNYFBZPBXZAS-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001154620908 779724481 /nfs/dbraw/zinc/72/44/81/779724481.db2.gz VXBUGOLDONVAPN-GRYCIOLGSA-N 1 1 316.402 -1.156 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154694123 779725625 /nfs/dbraw/zinc/72/56/25/779725625.db2.gz YYIWBSMHTDEVOL-NXEZZACHSA-N 1 1 300.363 -1.342 20 0 DAADMO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693537 779726064 /nfs/dbraw/zinc/72/60/64/779726064.db2.gz POKVHVBHVKGURA-SECBINFHSA-N 1 1 307.362 -1.021 20 0 DAADMO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693537 779726073 /nfs/dbraw/zinc/72/60/73/779726073.db2.gz POKVHVBHVKGURA-SECBINFHSA-N 1 1 307.362 -1.021 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154952997 779728109 /nfs/dbraw/zinc/72/81/09/779728109.db2.gz UNZYLKMXTZYVDV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154952997 779728112 /nfs/dbraw/zinc/72/81/12/779728112.db2.gz UNZYLKMXTZYVDV-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H](C)CNC(=O)C(N)=O ZINC001154952508 779728271 /nfs/dbraw/zinc/72/82/71/779728271.db2.gz FIWUZIHQIRMZSR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H](C)CNC(=O)C(N)=O ZINC001154952508 779728278 /nfs/dbraw/zinc/72/82/78/779728278.db2.gz FIWUZIHQIRMZSR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)C(N)=O ZINC001154969886 779728330 /nfs/dbraw/zinc/72/83/30/779728330.db2.gz YHKAMACDFMTTBU-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CC[N@@H+](CCNS(=O)(=O)CC)[C@H](C)CNC(=O)C(N)=O ZINC001154969886 779728335 /nfs/dbraw/zinc/72/83/35/779728335.db2.gz YHKAMACDFMTTBU-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154952823 779728345 /nfs/dbraw/zinc/72/83/45/779728345.db2.gz OELAMTMTQWQCQJ-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C(N)=O ZINC001154952823 779728352 /nfs/dbraw/zinc/72/83/52/779728352.db2.gz OELAMTMTQWQCQJ-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154921222 779728870 /nfs/dbraw/zinc/72/88/70/779728870.db2.gz LIYREUUYOMREKP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154921222 779728876 /nfs/dbraw/zinc/72/88/76/779728876.db2.gz LIYREUUYOMREKP-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154953145 779729272 /nfs/dbraw/zinc/72/92/72/779729272.db2.gz WKJGHXXXLUNKJZ-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO CC[N@@H+](CC(=O)NCCCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154953145 779729274 /nfs/dbraw/zinc/72/92/74/779729274.db2.gz WKJGHXXXLUNKJZ-SNVBAGLBSA-N 1 1 302.375 -1.549 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c3cccc(F)c32)[C@@H]2NCN[C@@H]21 ZINC001155290808 779731121 /nfs/dbraw/zinc/73/11/21/779731121.db2.gz VOKRIOULDRGYKN-UTUOFQBUSA-N 1 1 305.317 -1.165 20 0 DAADMO CN(C)c1noc(C[NH2+]CCCNC(=O)CS(C)(=O)=O)n1 ZINC001155301041 779731534 /nfs/dbraw/zinc/73/15/34/779731534.db2.gz ATPXSIJDDHFOEW-UHFFFAOYSA-N 1 1 319.387 -1.224 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c3cccc(F)c32)[C@@H]2NCN[C@H]21 ZINC001155290807 779731862 /nfs/dbraw/zinc/73/18/62/779731862.db2.gz VOKRIOULDRGYKN-TUAOUCFPSA-N 1 1 305.317 -1.165 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155528465 779732711 /nfs/dbraw/zinc/73/27/11/779732711.db2.gz IEWJLMWXENFLOM-MNOVXSKESA-N 1 1 324.447 -1.410 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001155451628 779733349 /nfs/dbraw/zinc/73/33/49/779733349.db2.gz MWUUDNSHYKIXOL-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001155451628 779733357 /nfs/dbraw/zinc/73/33/57/779733357.db2.gz MWUUDNSHYKIXOL-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155654579 779734204 /nfs/dbraw/zinc/73/42/04/779734204.db2.gz UBLDWDNKYZOENG-SCVCMEIPSA-N 1 1 316.402 -1.426 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(n2)NC(=O)CO3)[C@@H]2NCN[C@@H]21 ZINC001155738075 779734299 /nfs/dbraw/zinc/73/42/99/779734299.db2.gz UZILLBNVQVGUQQ-FOGDFJRCSA-N 1 1 319.325 -2.455 20 0 DAADMO Cc1cccn2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c12 ZINC001155634780 779734480 /nfs/dbraw/zinc/73/44/80/779734480.db2.gz APMZMZGXDZNTIV-WCFLWFBJSA-N 1 1 301.354 -1.225 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001155813031 779736059 /nfs/dbraw/zinc/73/60/59/779736059.db2.gz QVLCGVXAQQFQGH-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001155813470 779736183 /nfs/dbraw/zinc/73/61/83/779736183.db2.gz KUIQFUNZDWOYDI-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001155813470 779736186 /nfs/dbraw/zinc/73/61/86/779736186.db2.gz KUIQFUNZDWOYDI-SECBINFHSA-N 1 1 312.370 -1.388 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)S(=O)(=O)CC ZINC001156116739 779738227 /nfs/dbraw/zinc/73/82/27/779738227.db2.gz XFKKMZBCTVRSDW-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CN(C)S(=O)(=O)CC ZINC001156116739 779738232 /nfs/dbraw/zinc/73/82/32/779738232.db2.gz XFKKMZBCTVRSDW-SNVBAGLBSA-N 1 1 322.431 -1.420 20 0 DAADMO CCc1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cccn12 ZINC001156055856 779738602 /nfs/dbraw/zinc/73/86/02/779738602.db2.gz ASYMXRXHGWOXKP-NTZNESFSSA-N 1 1 316.369 -1.576 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3cccc(Cl)n32)[C@H]2NCN[C@@H]21 ZINC001156028677 779738638 /nfs/dbraw/zinc/73/86/38/779738638.db2.gz KXXBHXNZLLPGAJ-OPRDCNLKSA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)COCc1nncn1C ZINC001156110137 779739071 /nfs/dbraw/zinc/73/90/71/779739071.db2.gz DPQMOWIKLSXMGP-SNVBAGLBSA-N 1 1 312.374 -1.356 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)COCc1nncn1C ZINC001156110137 779739080 /nfs/dbraw/zinc/73/90/80/779739080.db2.gz DPQMOWIKLSXMGP-SNVBAGLBSA-N 1 1 312.374 -1.356 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+]CCN1CCNC1=O ZINC001156336719 779739888 /nfs/dbraw/zinc/73/98/88/779739888.db2.gz QOEJZNLWRIVLLL-UHFFFAOYSA-N 1 1 309.374 -1.142 20 0 DAADMO Cc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)nnc12 ZINC001156357072 779740326 /nfs/dbraw/zinc/74/03/26/779740326.db2.gz GFYXKSNCAQSDAI-YWVKMMECSA-N 1 1 302.342 -1.830 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3ncsc3n2)[C@@H]2NCN[C@@H]21 ZINC001156308254 779740884 /nfs/dbraw/zinc/74/08/84/779740884.db2.gz BDLVOVMMRSSPAC-BBBLOLIVSA-N 1 1 305.367 -1.176 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1nc[nH]n1 ZINC001156328313 779740920 /nfs/dbraw/zinc/74/09/20/779740920.db2.gz NGHDRMQHHUKRDY-UHFFFAOYSA-N 1 1 311.346 -1.711 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156383476 779741008 /nfs/dbraw/zinc/74/10/08/779741008.db2.gz LWMAOGACPCYIQZ-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1cncn1C ZINC001156383476 779741010 /nfs/dbraw/zinc/74/10/10/779741010.db2.gz LWMAOGACPCYIQZ-SNVBAGLBSA-N 1 1 324.385 -1.016 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CNC3=O)[C@H]2NCN[C@@H]21 ZINC001156558351 779742183 /nfs/dbraw/zinc/74/21/83/779742183.db2.gz CZJQKGSQEZRYLA-IJLUTSLNSA-N 1 1 302.338 -1.937 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc3c2CNC3=O)[C@@H]2NCN[C@H]21 ZINC001156558356 779742273 /nfs/dbraw/zinc/74/22/73/779742273.db2.gz CZJQKGSQEZRYLA-TUAOUCFPSA-N 1 1 302.338 -1.937 20 0 DAADMO Cc1cc(CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001156447876 779742284 /nfs/dbraw/zinc/74/22/84/779742284.db2.gz YSWZLFMNLRANJT-VIFPVBQESA-N 1 1 310.358 -1.060 20 0 DAADMO Cc1cc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cn2cn1 ZINC001156437796 779742310 /nfs/dbraw/zinc/74/23/10/779742310.db2.gz VMCJPVLMDBWTAD-GRYCIOLGSA-N 1 1 302.342 -1.830 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001156797750 779743046 /nfs/dbraw/zinc/74/30/46/779743046.db2.gz KQOKCGVQCADJNJ-MRVPVSSYSA-N 1 1 308.342 -1.499 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001156797750 779743052 /nfs/dbraw/zinc/74/30/52/779743052.db2.gz KQOKCGVQCADJNJ-MRVPVSSYSA-N 1 1 308.342 -1.499 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001156751160 779743153 /nfs/dbraw/zinc/74/31/53/779743153.db2.gz HILNXTZYDAAALU-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001156751160 779743161 /nfs/dbraw/zinc/74/31/61/779743161.db2.gz HILNXTZYDAAALU-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156798249 779743422 /nfs/dbraw/zinc/74/34/22/779743422.db2.gz WDRGXIWQSOYTQD-GHMZBOCLSA-N 1 1 304.391 -1.121 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156798273 779743467 /nfs/dbraw/zinc/74/34/67/779743467.db2.gz XGKRJBUYXAXRNI-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156798273 779743471 /nfs/dbraw/zinc/74/34/71/779743471.db2.gz XGKRJBUYXAXRNI-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156797443 779743489 /nfs/dbraw/zinc/74/34/89/779743489.db2.gz HIPQVAPXTFCMRU-MRVPVSSYSA-N 1 1 316.362 -1.934 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CCNC(N)=O ZINC001156797443 779743491 /nfs/dbraw/zinc/74/34/91/779743491.db2.gz HIPQVAPXTFCMRU-MRVPVSSYSA-N 1 1 316.362 -1.934 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001156682939 779743495 /nfs/dbraw/zinc/74/34/95/779743495.db2.gz PNQARVFAZJTZFO-SECBINFHSA-N 1 1 312.374 -1.798 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001156682939 779743496 /nfs/dbraw/zinc/74/34/96/779743496.db2.gz PNQARVFAZJTZFO-SECBINFHSA-N 1 1 312.374 -1.798 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001156797573 779743569 /nfs/dbraw/zinc/74/35/69/779743569.db2.gz KGMNGULIFDCPKP-NXEZZACHSA-N 1 1 300.359 -1.207 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cccc(F)c23)[C@H]2NCN[C@@H]21 ZINC001156922521 779745964 /nfs/dbraw/zinc/74/59/64/779745964.db2.gz TYLWGPBFWMVWCR-YUSALJHKSA-N 1 1 305.317 -1.394 20 0 DAADMO CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890570 779746050 /nfs/dbraw/zinc/74/60/50/779746050.db2.gz PCKWVNHXDLGIGM-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1COCCN1C(C)=O ZINC001156994648 779746580 /nfs/dbraw/zinc/74/65/80/779746580.db2.gz WQADQMBYFNPOKV-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1COCCN1C(C)=O ZINC001156994648 779746589 /nfs/dbraw/zinc/74/65/89/779746589.db2.gz WQADQMBYFNPOKV-ZYHUDNBSSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001156994647 779747299 /nfs/dbraw/zinc/74/72/99/779747299.db2.gz WQADQMBYFNPOKV-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001156994647 779747301 /nfs/dbraw/zinc/74/73/01/779747301.db2.gz WQADQMBYFNPOKV-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO COc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cn2c1 ZINC001157089740 779747820 /nfs/dbraw/zinc/74/78/20/779747820.db2.gz UTXGJEVJKFHWRB-RWMBFGLXSA-N 1 1 317.353 -1.524 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(Cl)nc3[nH]ccc32)[C@H]2NCN[C@@H]21 ZINC001157128714 779749494 /nfs/dbraw/zinc/74/94/94/779749494.db2.gz AZIFYGPZAZZWDA-NQMVMOMDSA-N 1 1 322.760 -1.304 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(Cl)nc3[nH]ccc32)[C@H]2NCN[C@H]21 ZINC001157128715 779749665 /nfs/dbraw/zinc/74/96/65/779749665.db2.gz AZIFYGPZAZZWDA-QXFUBDJGSA-N 1 1 322.760 -1.304 20 0 DAADMO C[C@](N)(CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369116 779753027 /nfs/dbraw/zinc/75/30/27/779753027.db2.gz NYXOJLBTOHKMOG-FZMZJTMJSA-N 1 1 300.403 -1.068 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001157361041 779753630 /nfs/dbraw/zinc/75/36/30/779753630.db2.gz XDQHDEXUMTVDPB-QMMMGPOBSA-N 1 1 313.314 -1.080 20 0 DAADMO Cc1nc(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)n[nH]1 ZINC001157746479 779758908 /nfs/dbraw/zinc/75/89/08/779758908.db2.gz STKHFPQCXVEMCC-UHFFFAOYSA-N 1 1 323.357 -1.697 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCc2nc[nH]c2C1 ZINC001157922095 779761319 /nfs/dbraw/zinc/76/13/19/779761319.db2.gz DLNYDFBZEWXDFC-UHFFFAOYSA-N 1 1 301.372 -1.485 20 0 DAADMO CCOC(=O)[C@@H]1CNCCN1C(=O)c1nnn2c1C[NH2+]CC2 ZINC001158008061 779763854 /nfs/dbraw/zinc/76/38/54/779763854.db2.gz XHTUEDSPUYTVRE-JTQLQIEISA-N 1 1 308.342 -1.642 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)CC[C@H]([NH3+])C(=O)OC ZINC001157999253 779764164 /nfs/dbraw/zinc/76/41/64/779764164.db2.gz PKXVHEZUCULZMA-VHSXEESVSA-N 1 1 301.343 -1.370 20 0 DAADMO CCOC(=O)[C@H]1CNCCN1C(=O)c1nnn2c1C[NH2+]CC2 ZINC001158008062 779764761 /nfs/dbraw/zinc/76/47/61/779764761.db2.gz XHTUEDSPUYTVRE-SNVBAGLBSA-N 1 1 308.342 -1.642 20 0 DAADMO N[C@@H](Cc1cccc(O)c1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092175 779765419 /nfs/dbraw/zinc/76/54/19/779765419.db2.gz LRHAJWGTCKMXNI-XJKSGUPXSA-N 1 1 318.377 -1.048 20 0 DAADMO NC(=O)NCCC[C@@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091457 779765509 /nfs/dbraw/zinc/76/55/09/779765509.db2.gz CMKYJSPXHGZHCZ-RNCFNFMXSA-N 1 1 312.374 -2.547 20 0 DAADMO O=C(c1n[nH]c2c1CNC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118884 779768721 /nfs/dbraw/zinc/76/87/21/779768721.db2.gz DCRNSFDFVVTUNF-OAHLLOKOSA-N 1 1 316.365 -1.435 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC)C1 ZINC001158235420 779772611 /nfs/dbraw/zinc/77/26/11/779772611.db2.gz JHELHWKIHZGUDD-BHDSKKPTSA-N 1 1 314.338 -1.085 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)Cn2cnc(C(N)=O)n2)n1 ZINC001158363861 779773895 /nfs/dbraw/zinc/77/38/95/779773895.db2.gz YOZMZZHUXSRSMW-UHFFFAOYSA-N 1 1 322.329 -1.635 20 0 DAADMO CN1C[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(N)=O)NC1=O ZINC001158335787 779774481 /nfs/dbraw/zinc/77/44/81/779774481.db2.gz CFYRIPMJZSJJIK-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(N)=O)NC1=O ZINC001158335787 779774484 /nfs/dbraw/zinc/77/44/84/779774484.db2.gz CFYRIPMJZSJJIK-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO NC(=O)[C@@H](CO)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158442686 779775245 /nfs/dbraw/zinc/77/52/45/779775245.db2.gz GMPOSEPPAZLDAF-SNVBAGLBSA-N 1 1 308.342 -1.826 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001158516432 779776598 /nfs/dbraw/zinc/77/65/98/779776598.db2.gz OEVOACFSSSMIIU-AXFHLTTASA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507725 779776862 /nfs/dbraw/zinc/77/68/62/779776862.db2.gz PUNMOXPCMCRNND-QWRGUYRKSA-N 1 1 324.385 -1.031 20 0 DAADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CNCCC1=O ZINC001158497497 779777271 /nfs/dbraw/zinc/77/72/71/779777271.db2.gz AEXHJMBCICAGTE-FIQHERPVSA-N 1 1 309.366 -1.083 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579426 779778359 /nfs/dbraw/zinc/77/83/59/779778359.db2.gz SPLRTISFTMTJSG-NAKRPEOUSA-N 1 1 316.377 -1.654 20 0 DAADMO CN1CCO[C@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@H]21 ZINC001158804520 779780361 /nfs/dbraw/zinc/78/03/61/779780361.db2.gz QTROGNNSPDPYQI-MJBXVCDLSA-N 1 1 311.430 -1.722 20 0 DAADMO CN1CCO[C@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@H]21 ZINC001158804517 779780413 /nfs/dbraw/zinc/78/04/13/779780413.db2.gz QTROGNNSPDPYQI-MCIONIFRSA-N 1 1 311.430 -1.722 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001158885839 779781476 /nfs/dbraw/zinc/78/14/76/779781476.db2.gz DWUINUZOQYXALS-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001158885839 779781483 /nfs/dbraw/zinc/78/14/83/779781483.db2.gz DWUINUZOQYXALS-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO Cc1nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc(N(C)C)[nH+]1 ZINC001158975348 779784133 /nfs/dbraw/zinc/78/41/33/779784133.db2.gz SKNQNEKLDUIHIV-ATZJWGMQSA-N 1 1 314.342 -1.937 20 0 DAADMO CCCc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc(C)[nH+]1 ZINC001158977648 779785266 /nfs/dbraw/zinc/78/52/66/779785266.db2.gz GVVBNXCKYXLPIS-DKTYCGPESA-N 1 1 313.354 -1.051 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210769 779789050 /nfs/dbraw/zinc/78/90/50/779789050.db2.gz PRDPHZIBUBKVHJ-SNVBAGLBSA-N 1 1 307.358 -1.315 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)C1 ZINC001159273132 779791478 /nfs/dbraw/zinc/79/14/78/779791478.db2.gz PAXUIDIJRJKHPG-RVMXOQNASA-N 1 1 318.381 -1.418 20 0 DAADMO O=C([C@@H]1COC[NH2+]1)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491853 779793999 /nfs/dbraw/zinc/79/39/99/779793999.db2.gz FPHWETHCNDYNHR-NSHDSACASA-N 1 1 321.337 -1.330 20 0 DAADMO N[C@@H](C[NH3+])C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159492844 779794680 /nfs/dbraw/zinc/79/46/80/779794680.db2.gz JNKXOCUDTYLBPW-VIFPVBQESA-N 1 1 308.342 -1.990 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159880922 779797298 /nfs/dbraw/zinc/79/72/98/779797298.db2.gz VJIYSECOWDYDSZ-UHFFFAOYSA-N 1 1 322.369 -1.132 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CN=NC2=O)CC1 ZINC001159880922 779797305 /nfs/dbraw/zinc/79/73/05/779797305.db2.gz VJIYSECOWDYDSZ-UHFFFAOYSA-N 1 1 322.369 -1.132 20 0 DAADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N[C@@H](N)CCC[NH3+] ZINC001159788088 779797823 /nfs/dbraw/zinc/79/78/23/779797823.db2.gz GXCAHCHVLOTETL-SECBINFHSA-N 1 1 317.371 -1.049 20 0 DAADMO COC(=O)CNC(=O)CNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001159829803 779797933 /nfs/dbraw/zinc/79/79/33/779797933.db2.gz ZULBCBFFWPYUFF-UHFFFAOYSA-N 1 1 322.369 -1.071 20 0 DAADMO Cc1cn(CC(=O)NCCNc2cc(N)[nH+]cn2)c(=O)[nH]c1=O ZINC001159940973 779798300 /nfs/dbraw/zinc/79/83/00/779798300.db2.gz FRKYANLXZCBXDE-UHFFFAOYSA-N 1 1 319.325 -1.142 20 0 DAADMO Cc1cn(CC(=O)NCCNc2cc(N)nc[nH+]2)c(=O)[nH]c1=O ZINC001159940973 779798305 /nfs/dbraw/zinc/79/83/05/779798305.db2.gz FRKYANLXZCBXDE-UHFFFAOYSA-N 1 1 319.325 -1.142 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCCC1=CC[N@H+](CC(N)=O)CC1 ZINC001159905453 779798975 /nfs/dbraw/zinc/79/89/75/779798975.db2.gz OGXZCLAOBMHKDN-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001159905453 779798980 /nfs/dbraw/zinc/79/89/80/779798980.db2.gz OGXZCLAOBMHKDN-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160151047 779799907 /nfs/dbraw/zinc/79/99/07/779799907.db2.gz TVQPJGYUHDYXME-JTQLQIEISA-N 1 1 307.358 -1.315 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC001160166328 779800144 /nfs/dbraw/zinc/80/01/44/779800144.db2.gz JEDUXOXFNBNBCC-QMMMGPOBSA-N 1 1 310.314 -1.428 20 0 DAADMO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)CCO2 ZINC001160180557 779802728 /nfs/dbraw/zinc/80/27/28/779802728.db2.gz VLKHQLMKNZGIJD-IPYPFGDCSA-N 1 1 310.398 -1.085 20 0 DAADMO Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]4COC[NH2+]4)C[C@@H]3C2=O)cn1 ZINC001160217184 779802755 /nfs/dbraw/zinc/80/27/55/779802755.db2.gz JKAUZEUPDKXTAY-DLOVCJGASA-N 1 1 305.338 -1.213 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001160385923 779804540 /nfs/dbraw/zinc/80/45/40/779804540.db2.gz CFSLWGUMXBVYIR-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001160385923 779804547 /nfs/dbraw/zinc/80/45/47/779804547.db2.gz CFSLWGUMXBVYIR-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)CNC(=O)NC)CC1 ZINC001160286654 779804701 /nfs/dbraw/zinc/80/47/01/779804701.db2.gz VDHWFJRZTAEXCP-UHFFFAOYSA-N 1 1 311.386 -1.200 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)CNC(=O)NC)CC1 ZINC001160286654 779804706 /nfs/dbraw/zinc/80/47/06/779804706.db2.gz VDHWFJRZTAEXCP-UHFFFAOYSA-N 1 1 311.386 -1.200 20 0 DAADMO CNC(=O)NCC(=O)NCCC1=CC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001160285168 779804911 /nfs/dbraw/zinc/80/49/11/779804911.db2.gz CLRGUUJDAOCZAJ-JTQLQIEISA-N 1 1 311.386 -1.072 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001160439779 779807023 /nfs/dbraw/zinc/80/70/23/779807023.db2.gz MWEGCBBDRDHKFS-GHMZBOCLSA-N 1 1 323.353 -1.440 20 0 DAADMO CS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160431959 779807050 /nfs/dbraw/zinc/80/70/50/779807050.db2.gz JLBORVBDLYSWPR-SNVBAGLBSA-N 1 1 301.372 -1.617 20 0 DAADMO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CNCCC[NH3+] ZINC001160495004 779808196 /nfs/dbraw/zinc/80/81/96/779808196.db2.gz WCKZNXDCQQEWGA-SCZZXKLOSA-N 1 1 319.383 -1.459 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001160441223 779808343 /nfs/dbraw/zinc/80/83/43/779808343.db2.gz VOCSUGHTFPBLAW-VHSXEESVSA-N 1 1 315.326 -1.843 20 0 DAADMO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CNCCC[NH3+] ZINC001160494997 779809481 /nfs/dbraw/zinc/80/94/81/779809481.db2.gz WCKZNXDCQQEWGA-PSASIEDQSA-N 1 1 319.383 -1.459 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1 ZINC001160505798 779809793 /nfs/dbraw/zinc/80/97/93/779809793.db2.gz GKKQLEYRQGRIJM-AGIUHOORSA-N 1 1 310.398 -1.085 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)C(=O)NCC(F)F)CC1 ZINC001160580024 779810441 /nfs/dbraw/zinc/81/04/41/779810441.db2.gz DOJXBWCFFZINEG-UHFFFAOYSA-N 1 1 318.324 -1.009 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)C(=O)NCC(F)F)CC1 ZINC001160580024 779810445 /nfs/dbraw/zinc/81/04/45/779810445.db2.gz DOJXBWCFFZINEG-UHFFFAOYSA-N 1 1 318.324 -1.009 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160541732 779810492 /nfs/dbraw/zinc/81/04/92/779810492.db2.gz GYLZZNURHMKCHW-GUBZILKMSA-N 1 1 322.369 -1.748 20 0 DAADMO Cn1cnn(CC(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)c1=O ZINC001160551344 779811360 /nfs/dbraw/zinc/81/13/60/779811360.db2.gz JYGNFKQAIAIMEQ-UHFFFAOYSA-N 1 1 322.369 -1.795 20 0 DAADMO Cn1cnn(CC(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)c1=O ZINC001160551344 779811365 /nfs/dbraw/zinc/81/13/65/779811365.db2.gz JYGNFKQAIAIMEQ-UHFFFAOYSA-N 1 1 322.369 -1.795 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCN(CCF)CC1 ZINC001160629948 779811750 /nfs/dbraw/zinc/81/17/50/779811750.db2.gz VSEUFNYANCUIDD-ZDUSSCGKSA-N 1 1 301.410 -1.150 20 0 DAADMO NC(=O)c1ccc(C[C@H](N)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160644457 779815002 /nfs/dbraw/zinc/81/50/02/779815002.db2.gz ZBMKMNHOLAJTQO-STQMWFEESA-N 1 1 306.366 -1.159 20 0 DAADMO NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643404 779815083 /nfs/dbraw/zinc/81/50/83/779815083.db2.gz HDQKBWZYUUQTQG-KBPBESRZSA-N 1 1 320.393 -1.141 20 0 DAADMO CN(CCC1OCCO1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001160682641 779816769 /nfs/dbraw/zinc/81/67/69/779816769.db2.gz HFDJHRYZSPBTJR-LBPRGKRZSA-N 1 1 300.403 -1.042 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160789121 779818602 /nfs/dbraw/zinc/81/86/02/779818602.db2.gz WDVLVFFUQOCFKV-QRTLGDNMSA-N 1 1 308.338 -1.021 20 0 DAADMO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)C[NH2+]CCN)C2 ZINC001160774073 779818613 /nfs/dbraw/zinc/81/86/13/779818613.db2.gz PDQLMVPBXQEPKV-VIFPVBQESA-N 1 1 319.383 -2.277 20 0 DAADMO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160788308 779818764 /nfs/dbraw/zinc/81/87/64/779818764.db2.gz QQJUSBDTXXVGFG-AUTRQRHGSA-N 1 1 307.354 -1.055 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160804816 779820159 /nfs/dbraw/zinc/82/01/59/779820159.db2.gz UBPYQDNESXGPBH-UHFFFAOYSA-N 1 1 320.415 -1.829 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001160860949 779822045 /nfs/dbraw/zinc/82/20/45/779822045.db2.gz PSWRWXOOGKAAHP-UHFFFAOYSA-N 1 1 324.425 -1.061 20 0 DAADMO CNS(=O)(=O)c1cccnc1NCCN1CC[NH2+]CC1=O ZINC001161024427 779824103 /nfs/dbraw/zinc/82/41/03/779824103.db2.gz KXICCHQPROZGJM-UHFFFAOYSA-N 1 1 313.383 -1.167 20 0 DAADMO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C1 ZINC001161049920 779824257 /nfs/dbraw/zinc/82/42/57/779824257.db2.gz JOGDTDALZQATJX-TUAOUCFPSA-N 1 1 300.403 -1.248 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C1 ZINC001161049920 779824263 /nfs/dbraw/zinc/82/42/63/779824263.db2.gz JOGDTDALZQATJX-TUAOUCFPSA-N 1 1 300.403 -1.248 20 0 DAADMO O=C(NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001161050244 779824298 /nfs/dbraw/zinc/82/42/98/779824298.db2.gz DIJPKEHPJQLIOT-VXGBXAGGSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001161050240 779824752 /nfs/dbraw/zinc/82/47/52/779824752.db2.gz DIJPKEHPJQLIOT-NWDGAFQWSA-N 1 1 321.381 -1.305 20 0 DAADMO CNS(=O)(=O)c1ccc(NCCN2CC[NH2+]CC2=O)nc1 ZINC001161024197 779824937 /nfs/dbraw/zinc/82/49/37/779824937.db2.gz JMWDXOAZPREZIQ-UHFFFAOYSA-N 1 1 313.383 -1.167 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050728 779824950 /nfs/dbraw/zinc/82/49/50/779824950.db2.gz KWNKYEZZZJQBOV-ZYHUDNBSSA-N 1 1 323.397 -1.059 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001161050725 779825373 /nfs/dbraw/zinc/82/53/73/779825373.db2.gz KWNKYEZZZJQBOV-CMPLNLGQSA-N 1 1 323.397 -1.059 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010128 779825509 /nfs/dbraw/zinc/82/55/09/779825509.db2.gz ZJQKXXRQNXDCDR-DCAQKATOSA-N 1 1 314.386 -2.474 20 0 DAADMO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C[C@H]2C1 ZINC001161175627 779831494 /nfs/dbraw/zinc/83/14/94/779831494.db2.gz MSZXKVKYEXUWDQ-RVMXOQNASA-N 1 1 312.414 -1.389 20 0 DAADMO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C[C@H]2C1 ZINC001161175627 779831504 /nfs/dbraw/zinc/83/15/04/779831504.db2.gz MSZXKVKYEXUWDQ-RVMXOQNASA-N 1 1 312.414 -1.389 20 0 DAADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCNC1 ZINC001161418854 779837309 /nfs/dbraw/zinc/83/73/09/779837309.db2.gz SQXXCEILKYLMIA-STQMWFEESA-N 1 1 322.365 -1.872 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001161453421 779837546 /nfs/dbraw/zinc/83/75/46/779837546.db2.gz AFMNDVNYBIDXCZ-UHFFFAOYSA-N 1 1 323.357 -1.177 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CNCCC1=O)CC2 ZINC001161478376 779838099 /nfs/dbraw/zinc/83/80/99/779838099.db2.gz MCRVJFUMYNINKQ-WBIUFABUSA-N 1 1 309.366 -1.081 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)COC(C)=O)CC2 ZINC001161476215 779838560 /nfs/dbraw/zinc/83/85/60/779838560.db2.gz BLVHEDISQXFOOE-WDMOLILDSA-N 1 1 313.354 -1.370 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cn1cccn1)CC2 ZINC001161479648 779838850 /nfs/dbraw/zinc/83/88/50/779838850.db2.gz QJEAKRPJSGIICC-HUBLWGQQSA-N 1 1 321.381 -1.036 20 0 DAADMO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CNCCC1=O)CC2 ZINC001161478373 779839192 /nfs/dbraw/zinc/83/91/92/779839192.db2.gz MCRVJFUMYNINKQ-HCKVZZMMSA-N 1 1 309.366 -1.081 20 0 DAADMO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)c1cnn[nH]1 ZINC001161697362 779843724 /nfs/dbraw/zinc/84/37/24/779843724.db2.gz CNXJVVVDBUYIKB-UHFFFAOYSA-N 1 1 316.387 -1.450 20 0 DAADMO CN(CC[NH2+]CCCNC(=O)c1cnn[nH]1)S(C)(=O)=O ZINC001161697932 779843899 /nfs/dbraw/zinc/84/38/99/779843899.db2.gz VQGBRHZVLSVDPM-UHFFFAOYSA-N 1 1 304.376 -1.594 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)c1cnn[nH]1 ZINC001161707332 779845136 /nfs/dbraw/zinc/84/51/36/779845136.db2.gz SORBPHOKKUZPFN-WDEREUQCSA-N 1 1 315.374 -1.073 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)c2cnn[nH]2)CCO1 ZINC001161707380 779845372 /nfs/dbraw/zinc/84/53/72/779845372.db2.gz VIHZWPNEJNVEGO-JTQLQIEISA-N 1 1 310.358 -1.239 20 0 DAADMO COCC1(CNC(=O)c2cnnn2C)CC[NH+](CC(N)=O)CC1 ZINC001162247089 779851821 /nfs/dbraw/zinc/85/18/21/779851821.db2.gz UFROFSKGCCBQFJ-UHFFFAOYSA-N 1 1 324.385 -1.241 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCOCC3)ncn2)[C@H]2NCN[C@H]21 ZINC001162437806 779853089 /nfs/dbraw/zinc/85/30/89/779853089.db2.gz VTPWSTVJKYGABQ-YNEHKIRRSA-N 1 1 306.374 -2.190 20 0 DAADMO [NH3+][C@@H]1NCN(c2nc(Cl)cc3c2CNC3=O)[C@@H]2NCN[C@@H]21 ZINC001162437901 779853263 /nfs/dbraw/zinc/85/32/63/779853263.db2.gz DMZJPRYVYFTZNU-KKZNHRDASA-N 1 1 309.761 -1.525 20 0 DAADMO CCOC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1C ZINC001162437136 779853290 /nfs/dbraw/zinc/85/32/90/779853290.db2.gz AXYFUXHNQJSULA-NHCYSSNCSA-N 1 1 307.358 -1.541 20 0 DAADMO COC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162438077 779853834 /nfs/dbraw/zinc/85/38/34/779853834.db2.gz WQSIDLGARAHILT-VGMNWLOBSA-N 1 1 313.749 -1.587 20 0 DAADMO Cc1cc(N2CCCC2)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162436785 779853955 /nfs/dbraw/zinc/85/39/55/779853955.db2.gz PPOZNLRFSRZMAY-RWMBFGLXSA-N 1 1 304.402 -1.118 20 0 DAADMO COC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162438075 779854072 /nfs/dbraw/zinc/85/40/72/779854072.db2.gz WQSIDLGARAHILT-CIUDSAMLSA-N 1 1 313.749 -1.587 20 0 DAADMO CCOc1ccc(C(=O)OC)c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162437443 779854160 /nfs/dbraw/zinc/85/41/60/779854160.db2.gz BXTNDDFWWSZBFM-GMXVVIOVSA-N 1 1 322.369 -1.236 20 0 DAADMO COC(=O)c1nc(Cl)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162440726 779854811 /nfs/dbraw/zinc/85/48/11/779854811.db2.gz UNDARFBMOGFDJI-XVYDVKMFSA-N 1 1 313.749 -1.587 20 0 DAADMO CCOC(=O)c1cnc(OC)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162439492 779855029 /nfs/dbraw/zinc/85/50/29/779855029.db2.gz LZFVZDWOJHGZHB-QXEWZRGKSA-N 1 1 323.357 -1.841 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1C ZINC001162438691 779855132 /nfs/dbraw/zinc/85/51/32/779855132.db2.gz HHUBRLPBKQHACE-VWYCJHECSA-N 1 1 307.358 -1.541 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1 ZINC001162438791 779855172 /nfs/dbraw/zinc/85/51/72/779855172.db2.gz HQXIJCSAPDPRCL-HZSPNIEDSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1C ZINC001162438686 779855336 /nfs/dbraw/zinc/85/53/36/779855336.db2.gz HHUBRLPBKQHACE-DCAQKATOSA-N 1 1 307.358 -1.541 20 0 DAADMO CNC(=O)c1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1Cl ZINC001162439062 779855348 /nfs/dbraw/zinc/85/53/48/779855348.db2.gz KATPNUHTFYAHDU-VWYCJHECSA-N 1 1 311.777 -1.409 20 0 DAADMO COC(=O)c1c(C)cc(C)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162440336 779855388 /nfs/dbraw/zinc/85/53/88/779855388.db2.gz QSUNXNGJTVGYGR-NTZNESFSSA-N 1 1 306.370 -1.018 20 0 DAADMO CCOC(=O)c1cnc(C)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162439321 779855593 /nfs/dbraw/zinc/85/55/93/779855593.db2.gz LAYMWCXLEOHAQB-NHCYSSNCSA-N 1 1 307.358 -1.541 20 0 DAADMO Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162440745 779855713 /nfs/dbraw/zinc/85/57/13/779855713.db2.gz UVULOQXRWOJYAA-DTLFHODZSA-N 1 1 309.765 -1.486 20 0 DAADMO Cn1cnc2c1nc(Cl)nc2N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162440746 779855899 /nfs/dbraw/zinc/85/58/99/779855899.db2.gz UVULOQXRWOJYAA-GEVIPFJHSA-N 1 1 309.765 -1.486 20 0 DAADMO COC(=O)c1cc(OC)cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162438670 779855939 /nfs/dbraw/zinc/85/59/39/779855939.db2.gz HGKMXSWGVRCRQX-JBLDHEPKSA-N 1 1 308.342 -1.626 20 0 DAADMO CON(C)C(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001162442553 779856461 /nfs/dbraw/zinc/85/64/61/779856461.db2.gz CBSCHHUEMMCZIG-SRVKXCTJSA-N 1 1 307.358 -1.788 20 0 DAADMO CN(C)c1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc2nc[nH]c21 ZINC001162441555 779856513 /nfs/dbraw/zinc/85/65/13/779856513.db2.gz YRDBGXMSYGGDCG-PMVVWTBXSA-N 1 1 304.362 -2.084 20 0 DAADMO C[C@@H]1CC(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c21 ZINC001162441200 779856585 /nfs/dbraw/zinc/85/65/85/779856585.db2.gz XKSJPVOAYKPDON-FAYBLGNRSA-N 1 1 304.358 -1.581 20 0 DAADMO CON(C)C(=O)c1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001162442548 779856912 /nfs/dbraw/zinc/85/69/12/779856912.db2.gz CBSCHHUEMMCZIG-GRYCIOLGSA-N 1 1 307.358 -1.788 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CN[C@H](N)[C@@H]4NCN[C@H]43)n2)CC1 ZINC001162443130 779856954 /nfs/dbraw/zinc/85/69/54/779856954.db2.gz FXQZLSVLMQYDPJ-AVGNSLFASA-N 1 1 319.417 -2.275 20 0 DAADMO COCCOC(=O)c1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001162443420 779857091 /nfs/dbraw/zinc/85/70/91/779857091.db2.gz GZCZTOBBJSUHLC-RWMBFGLXSA-N 1 1 322.369 -1.618 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCSCC3)ncn2)[C@H]2NCN[C@H]21 ZINC001162443058 779857417 /nfs/dbraw/zinc/85/74/17/779857417.db2.gz FMLXDHPUOPFMLU-YNEHKIRRSA-N 1 1 322.442 -1.473 20 0 DAADMO CC1(C)C(=O)Nc2ncnc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c21 ZINC001162443918 779857623 /nfs/dbraw/zinc/85/76/23/779857623.db2.gz ASXMEKNCYUUXGF-LAEOZQHASA-N 1 1 304.358 -1.797 20 0 DAADMO NS(=O)(=O)c1ccc(N2CN[C@@H]([NH3+])[C@@H]3NCN[C@H]32)nn1 ZINC001162445739 779857986 /nfs/dbraw/zinc/85/79/86/779857986.db2.gz VPNJJLQIRYKDFN-YIZRAAEISA-N 1 1 300.348 -3.379 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccnc(N3CCCCC3)n2)[C@H]2NCN[C@H]21 ZINC001162445585 779858326 /nfs/dbraw/zinc/85/83/26/779858326.db2.gz FOWGCXMZCKYIKQ-YNEHKIRRSA-N 1 1 304.402 -1.036 20 0 DAADMO COC(=O)c1nc(Cl)cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1 ZINC001162445047 779858355 /nfs/dbraw/zinc/85/83/55/779858355.db2.gz SAHAQMQQIJKOJA-WEDXCCLWSA-N 1 1 313.749 -1.587 20 0 DAADMO [NH3+][C@@H]1NCN(c2nccc(N3CCCCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162444966 779858419 /nfs/dbraw/zinc/85/84/19/779858419.db2.gz DELRLOZXRYRCQX-UPJWGTAASA-N 1 1 304.402 -1.036 20 0 DAADMO CCCNC(=O)c1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1 ZINC001162445651 779858855 /nfs/dbraw/zinc/85/88/55/779858855.db2.gz GFFLLSNULMARCV-AVGNSLFASA-N 1 1 305.386 -1.282 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2NC(=O)CS3)[C@@H]2NCN[C@H]21 ZINC001162445445 779858919 /nfs/dbraw/zinc/85/89/19/779858919.db2.gz URKSWTYJWICHHD-ZQARSLAVSA-N 1 1 308.371 -1.982 20 0 DAADMO [NH3+][C@@H]1NCN(c2nccc(N3CCCCC3)n2)[C@@H]2NCN[C@H]21 ZINC001162444967 779859025 /nfs/dbraw/zinc/85/90/25/779859025.db2.gz DELRLOZXRYRCQX-XQQFMLRXSA-N 1 1 304.402 -1.036 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2NC(=O)CS3)[C@H]2NCN[C@H]21 ZINC001162445443 779859109 /nfs/dbraw/zinc/85/91/09/779859109.db2.gz URKSWTYJWICHHD-NBEYISGCSA-N 1 1 308.371 -1.982 20 0 DAADMO NS(=O)(=O)c1ccc(N2CN[C@@H]([NH3+])[C@H]3NCN[C@@H]32)nn1 ZINC001162445738 779859202 /nfs/dbraw/zinc/85/92/02/779859202.db2.gz VPNJJLQIRYKDFN-IWSPIJDZSA-N 1 1 300.348 -3.379 20 0 DAADMO CNC(=O)c1cc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162444891 779859251 /nfs/dbraw/zinc/85/92/51/779859251.db2.gz QZDDLPZAQMPKEC-HRDYMLBCSA-N 1 1 312.765 -2.014 20 0 DAADMO CCOC(=O)c1cnc(CC)nc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162444841 779859267 /nfs/dbraw/zinc/85/92/67/779859267.db2.gz QPSDSQCXSQXLPD-NTZNESFSSA-N 1 1 321.385 -1.287 20 0 DAADMO CNS(=O)(=O)c1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1 ZINC001162446898 779859666 /nfs/dbraw/zinc/85/96/66/779859666.db2.gz JTCFBZGSLOQKRL-VWYCJHECSA-N 1 1 313.387 -2.513 20 0 DAADMO COc1cnc2c(c1)ncnc2N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162449555 779859777 /nfs/dbraw/zinc/85/97/77/779859777.db2.gz VUXBNQQYEOJQLX-MDZLAQPJSA-N 1 1 302.342 -1.470 20 0 DAADMO COC(=O)CSc1cccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162446397 779859867 /nfs/dbraw/zinc/85/98/67/779859867.db2.gz HPFTUMCSBBTZBU-RWMBFGLXSA-N 1 1 324.410 -1.156 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2ncn3C2CC2)[C@@H]2NCN[C@H]21 ZINC001162446386 779859880 /nfs/dbraw/zinc/85/98/80/779859880.db2.gz HOWRGGHFFRICHU-GDPRMGEGSA-N 1 1 301.358 -1.342 20 0 DAADMO Cc1cn(-c2ccc(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nn2)cn1 ZINC001162448578 779859921 /nfs/dbraw/zinc/85/99/21/779859921.db2.gz QXYIEYSQFQEHJY-RWMBFGLXSA-N 1 1 301.358 -1.532 20 0 DAADMO CON(C)C(=O)c1cc(C)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162448515 779859979 /nfs/dbraw/zinc/85/99/79/779859979.db2.gz QSWVJUSTDMBKTM-MDZLAQPJSA-N 1 1 321.385 -1.480 20 0 DAADMO CON(C)C(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162449244 779860019 /nfs/dbraw/zinc/86/00/19/779860019.db2.gz UNRRUNXAPDMCQO-JBLDHEPKSA-N 1 1 307.358 -1.788 20 0 DAADMO CON(C)C(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162449250 779860093 /nfs/dbraw/zinc/86/00/93/779860093.db2.gz UNRRUNXAPDMCQO-NHCYSSNCSA-N 1 1 307.358 -1.788 20 0 DAADMO NC(=O)c1cc2ccccc2c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001162446832 779860281 /nfs/dbraw/zinc/86/02/81/779860281.db2.gz JNDPWWIDGXPBCD-SLEUVZQESA-N 1 1 313.365 -1.169 20 0 DAADMO COc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc2c1ccn2C ZINC001162446259 779860513 /nfs/dbraw/zinc/86/05/13/779860513.db2.gz ZSKRLHCMDOXZDV-QXEWZRGKSA-N 1 1 304.358 -1.526 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CCn2ncn(C)c2=O)o1 ZINC001163207877 779865840 /nfs/dbraw/zinc/86/58/40/779865840.db2.gz CDLWHYSJBRKIJO-UHFFFAOYSA-N 1 1 323.357 -1.041 20 0 DAADMO Cc1noc([C@H](C)[NH2+]CCCNC(=O)CN2CCNC(=O)C2)n1 ZINC001163883149 779871687 /nfs/dbraw/zinc/87/16/87/779871687.db2.gz GBVNWVFSSFPHSJ-JTQLQIEISA-N 1 1 324.385 -1.033 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC[NH2+]Cc1cnsn1 ZINC001163880369 779871978 /nfs/dbraw/zinc/87/19/78/779871978.db2.gz HZPFULGIUZPSCT-UHFFFAOYSA-N 1 1 312.399 -1.434 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCCNC(=O)CN2CCNC(=O)C2)o1 ZINC001163883718 779872149 /nfs/dbraw/zinc/87/21/49/779872149.db2.gz PYXPWGFVANZDLC-JTQLQIEISA-N 1 1 324.385 -1.033 20 0 DAADMO OC[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C[C@H]1O ZINC001164544166 779878838 /nfs/dbraw/zinc/87/88/38/779878838.db2.gz IAQNNTAQDPBSHR-GXFFZTMASA-N 1 1 321.381 -1.294 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001165278336 779881835 /nfs/dbraw/zinc/88/18/35/779881835.db2.gz RWNBCTULXISGRN-MRVPVSSYSA-N 1 1 323.357 -1.485 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001165465979 779884125 /nfs/dbraw/zinc/88/41/25/779884125.db2.gz CTTCECNWRGWFLZ-MRVPVSSYSA-N 1 1 312.330 -1.507 20 0 DAADMO COC(=O)[C@H]1CNCCN1c1cncc(N2CC[NH2+]CC2)n1 ZINC001165438576 779884217 /nfs/dbraw/zinc/88/42/17/779884217.db2.gz HJGIIPXKPWLCMP-LLVKDONJSA-N 1 1 306.370 -1.163 20 0 DAADMO C[C@@H]([NH2+]CC1(CCNC(=O)c2cnn[nH]2)CC1)C(=O)NC(N)=O ZINC001165956381 779888514 /nfs/dbraw/zinc/88/85/14/779888514.db2.gz YDWDGVSZBTUCHM-MRVPVSSYSA-N 1 1 323.357 -1.122 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)c2cnn[nH]2)CC1 ZINC001165947858 779889006 /nfs/dbraw/zinc/88/90/06/779889006.db2.gz HNILNZQMIMKVKN-UHFFFAOYSA-N 1 1 323.357 -1.250 20 0 DAADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[NH2+][C@H](C(N)=O)C2)n1 ZINC001166723863 779892239 /nfs/dbraw/zinc/89/22/39/779892239.db2.gz LENYBQVIJWZDGH-LURJTMIESA-N 1 1 319.774 -1.203 20 0 DAADMO COC(=O)C1([NH3+])CCN(c2ccc(S(N)(=O)=O)nn2)CC1 ZINC001166800907 779893056 /nfs/dbraw/zinc/89/30/56/779893056.db2.gz QLTVISWNDBFEIO-UHFFFAOYSA-N 1 1 315.355 -1.405 20 0 DAADMO CS(=O)(=O)CC[NH2+]CCCNC(=O)CCc1c[nH]nn1 ZINC001166948813 779896435 /nfs/dbraw/zinc/89/64/35/779896435.db2.gz GFKHJUFNTUUOSG-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO CS(=O)(=O)CC[NH2+]CCCNC(=O)CCc1cnn[nH]1 ZINC001166948813 779896443 /nfs/dbraw/zinc/89/64/43/779896443.db2.gz GFKHJUFNTUUOSG-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001166953617 779896642 /nfs/dbraw/zinc/89/66/42/779896642.db2.gz ONVVCWYVDQKKIT-SNVBAGLBSA-N 1 1 308.342 -1.362 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001166953617 779896645 /nfs/dbraw/zinc/89/66/45/779896645.db2.gz ONVVCWYVDQKKIT-SNVBAGLBSA-N 1 1 308.342 -1.362 20 0 DAADMO O=C(CCc1c[nH]nn1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001166953615 779896698 /nfs/dbraw/zinc/89/66/98/779896698.db2.gz ONVVCWYVDQKKIT-JTQLQIEISA-N 1 1 308.342 -1.362 20 0 DAADMO O=C(CCc1cnn[nH]1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001166953615 779896699 /nfs/dbraw/zinc/89/66/99/779896699.db2.gz ONVVCWYVDQKKIT-JTQLQIEISA-N 1 1 308.342 -1.362 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CCC2=O)C1 ZINC001276461773 779900009 /nfs/dbraw/zinc/90/00/09/779900009.db2.gz WGVQEKXQRJXFCC-KOLCDFICSA-N 1 1 324.381 -1.164 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 ZINC001205182224 779901579 /nfs/dbraw/zinc/90/15/79/779901579.db2.gz XXKJMQKASHBHMQ-IACUBPJLSA-N 1 1 321.377 -1.074 20 0 DAADMO NC(=O)C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205175298 779901740 /nfs/dbraw/zinc/90/17/40/779901740.db2.gz UNGTWONDUUIBHQ-CHWSQXEVSA-N 1 1 307.350 -1.462 20 0 DAADMO NC(=O)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205175298 779901747 /nfs/dbraw/zinc/90/17/47/779901747.db2.gz UNGTWONDUUIBHQ-CHWSQXEVSA-N 1 1 307.350 -1.462 20 0 DAADMO CNC(=O)CC(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001205081426 779902004 /nfs/dbraw/zinc/90/20/04/779902004.db2.gz OYMVIDRMMXQUMU-UHFFFAOYSA-N 1 1 309.374 -1.326 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001205756160 779902674 /nfs/dbraw/zinc/90/26/74/779902674.db2.gz BXNVQSKQGBGKEM-ZYHUDNBSSA-N 1 1 324.381 -1.292 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001205895999 779903943 /nfs/dbraw/zinc/90/39/43/779903943.db2.gz JIMAOVWJOWITHS-VXGBXAGGSA-N 1 1 312.374 -1.227 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CNC(N)=O ZINC001205922476 779905802 /nfs/dbraw/zinc/90/58/02/779905802.db2.gz ZDOPDOIVNFLXJT-GRYCIOLGSA-N 1 1 324.385 -1.651 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001205964730 779906063 /nfs/dbraw/zinc/90/60/63/779906063.db2.gz GFYCADIUKHLJLP-NXEZZACHSA-N 1 1 308.342 -1.486 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC001205964730 779906065 /nfs/dbraw/zinc/90/60/65/779906065.db2.gz GFYCADIUKHLJLP-NXEZZACHSA-N 1 1 308.342 -1.486 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937123 779906307 /nfs/dbraw/zinc/90/63/07/779906307.db2.gz KTBDEHGWSWVEBY-GHMZBOCLSA-N 1 1 313.402 -1.042 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937123 779906311 /nfs/dbraw/zinc/90/63/11/779906311.db2.gz KTBDEHGWSWVEBY-GHMZBOCLSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205921543 779906510 /nfs/dbraw/zinc/90/65/10/779906510.db2.gz JDISCCKNPYGBJG-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205921543 779906517 /nfs/dbraw/zinc/90/65/17/779906517.db2.gz JDISCCKNPYGBJG-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205922060 779906882 /nfs/dbraw/zinc/90/68/82/779906882.db2.gz QUCUVFVXFAFVJE-WCABBAIRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205922060 779906884 /nfs/dbraw/zinc/90/68/84/779906884.db2.gz QUCUVFVXFAFVJE-WCABBAIRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001206565360 779909499 /nfs/dbraw/zinc/90/94/99/779909499.db2.gz PPZAKDPSFQULRZ-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001206565360 779909506 /nfs/dbraw/zinc/90/95/06/779909506.db2.gz PPZAKDPSFQULRZ-IWSPIJDZSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586216 779909790 /nfs/dbraw/zinc/90/97/90/779909790.db2.gz RROLCGBHQJBBRC-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001206689489 779910725 /nfs/dbraw/zinc/91/07/25/779910725.db2.gz BDCZQOZCFNBKQZ-PSASIEDQSA-N 1 1 309.326 -1.152 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccon1 ZINC001206689489 779910730 /nfs/dbraw/zinc/91/07/30/779910730.db2.gz BDCZQOZCFNBKQZ-PSASIEDQSA-N 1 1 309.326 -1.152 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206746574 779910879 /nfs/dbraw/zinc/91/08/79/779910879.db2.gz KGYIRWRZRRQGIG-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206746574 779910881 /nfs/dbraw/zinc/91/08/81/779910881.db2.gz KGYIRWRZRRQGIG-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001206878325 779911100 /nfs/dbraw/zinc/91/11/00/779911100.db2.gz IDSHHJQZAAQUCB-OPRDCNLKSA-N 1 1 323.357 -1.530 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)n1cncn1 ZINC001206878325 779911102 /nfs/dbraw/zinc/91/11/02/779911102.db2.gz IDSHHJQZAAQUCB-OPRDCNLKSA-N 1 1 323.357 -1.530 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001206918953 779914275 /nfs/dbraw/zinc/91/42/75/779914275.db2.gz AUKYFISUAJGCFR-MXWKQRLJSA-N 1 1 301.343 -1.460 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001206904227 779914571 /nfs/dbraw/zinc/91/45/71/779914571.db2.gz LMYBVCKFEJEQNE-WCABBAIRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001206904227 779914576 /nfs/dbraw/zinc/91/45/76/779914576.db2.gz LMYBVCKFEJEQNE-WCABBAIRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206928375 779914634 /nfs/dbraw/zinc/91/46/34/779914634.db2.gz SMNMGBDQUVEIRJ-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206928375 779914638 /nfs/dbraw/zinc/91/46/38/779914638.db2.gz SMNMGBDQUVEIRJ-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001206904326 779914709 /nfs/dbraw/zinc/91/47/09/779914709.db2.gz PHFWXSXUXLPPMF-LMLFDSFASA-N 1 1 302.375 -1.513 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccnn1C ZINC001206906794 779914761 /nfs/dbraw/zinc/91/47/61/779914761.db2.gz ZHPVCVNQUDGTEW-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccnn1C ZINC001206906794 779914766 /nfs/dbraw/zinc/91/47/66/779914766.db2.gz ZHPVCVNQUDGTEW-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001206944137 779916107 /nfs/dbraw/zinc/91/61/07/779916107.db2.gz VKUNUFFKUFHQQC-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ccn(C)n1 ZINC001206944137 779916112 /nfs/dbraw/zinc/91/61/12/779916112.db2.gz VKUNUFFKUFHQQC-MWLCHTKSSA-N 1 1 322.369 -1.406 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001206942490 779916298 /nfs/dbraw/zinc/91/62/98/779916298.db2.gz GTOWKJIQAHWZTC-VXNVDRBHSA-N 1 1 323.357 -1.713 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)[nH]1 ZINC001206942490 779916301 /nfs/dbraw/zinc/91/63/01/779916301.db2.gz GTOWKJIQAHWZTC-VXNVDRBHSA-N 1 1 323.357 -1.713 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001206958904 779916427 /nfs/dbraw/zinc/91/64/27/779916427.db2.gz LDJIGKQUCCFGSH-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001206958904 779916434 /nfs/dbraw/zinc/91/64/34/779916434.db2.gz LDJIGKQUCCFGSH-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)NC(N)=O ZINC001206966743 779916449 /nfs/dbraw/zinc/91/64/49/779916449.db2.gz WNQHRVXVLZJFKS-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)NC(N)=O ZINC001206966743 779916454 /nfs/dbraw/zinc/91/64/54/779916454.db2.gz WNQHRVXVLZJFKS-GMTAPVOTSA-N 1 1 313.402 -1.042 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001207044607 779917028 /nfs/dbraw/zinc/91/70/28/779917028.db2.gz NQJMBACLARTIGK-OUAUKWLOSA-N 1 1 307.416 -1.257 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978055 779917070 /nfs/dbraw/zinc/91/70/70/779917070.db2.gz KUTDVUSLIVROKR-RKDXNWHRSA-N 1 1 324.345 -2.435 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978055 779917074 /nfs/dbraw/zinc/91/70/74/779917074.db2.gz KUTDVUSLIVROKR-RKDXNWHRSA-N 1 1 324.345 -2.435 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC001207043972 779917409 /nfs/dbraw/zinc/91/74/09/779917409.db2.gz AUFCOKXYQMLZAE-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC001207043972 779917412 /nfs/dbraw/zinc/91/74/12/779917412.db2.gz AUFCOKXYQMLZAE-ZYHUDNBSSA-N 1 1 319.365 -1.267 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206977934 779917772 /nfs/dbraw/zinc/91/77/72/779917772.db2.gz FPOXOHMYFQGTLO-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206977934 779917777 /nfs/dbraw/zinc/91/77/77/779917777.db2.gz FPOXOHMYFQGTLO-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001207066533 779917911 /nfs/dbraw/zinc/91/79/11/779917911.db2.gz PMDITCHRXRWPEB-OUAUKWLOSA-N 1 1 314.386 -1.680 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001207066533 779917916 /nfs/dbraw/zinc/91/79/16/779917916.db2.gz PMDITCHRXRWPEB-OUAUKWLOSA-N 1 1 314.386 -1.680 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978272 779917936 /nfs/dbraw/zinc/91/79/36/779917936.db2.gz UUEGDQWUOIBMBR-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978272 779917940 /nfs/dbraw/zinc/91/79/40/779917940.db2.gz UUEGDQWUOIBMBR-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001207283931 779919604 /nfs/dbraw/zinc/91/96/04/779919604.db2.gz KHWAJFPCIOIWQC-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001207283931 779919613 /nfs/dbraw/zinc/91/96/13/779919613.db2.gz KHWAJFPCIOIWQC-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207283937 779919984 /nfs/dbraw/zinc/91/99/84/779919984.db2.gz KKAXECZBMVTUFZ-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207283937 779919992 /nfs/dbraw/zinc/91/99/92/779919992.db2.gz KKAXECZBMVTUFZ-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207290086 779920081 /nfs/dbraw/zinc/92/00/81/779920081.db2.gz ONOFQAYMEQZRMS-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207290086 779920083 /nfs/dbraw/zinc/92/00/83/779920083.db2.gz ONOFQAYMEQZRMS-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001207307583 779920104 /nfs/dbraw/zinc/92/01/04/779920104.db2.gz VMHXITGYENVAMK-GRYCIOLGSA-N 1 1 301.387 -1.092 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001207307584 779920548 /nfs/dbraw/zinc/92/05/48/779920548.db2.gz VMHXITGYENVAMK-IJLUTSLNSA-N 1 1 301.387 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207298401 779920568 /nfs/dbraw/zinc/92/05/68/779920568.db2.gz OECVJBMXZSPWNM-NXEZZACHSA-N 1 1 320.415 -1.940 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001207298401 779920574 /nfs/dbraw/zinc/92/05/74/779920574.db2.gz OECVJBMXZSPWNM-NXEZZACHSA-N 1 1 320.415 -1.940 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001207376257 779921478 /nfs/dbraw/zinc/92/14/78/779921478.db2.gz KEQYKLIELLNCAL-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001207376257 779921482 /nfs/dbraw/zinc/92/14/82/779921482.db2.gz KEQYKLIELLNCAL-MWLCHTKSSA-N 1 1 311.386 -1.370 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC001207351643 779922187 /nfs/dbraw/zinc/92/21/87/779922187.db2.gz ZTPDMFYUNKFMGW-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCCN1C(=O)CCC1=O ZINC001207351643 779922192 /nfs/dbraw/zinc/92/21/92/779922192.db2.gz ZTPDMFYUNKFMGW-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)COCc1ccnn1C ZINC001207681303 779922938 /nfs/dbraw/zinc/92/29/38/779922938.db2.gz PWJNYJWCRMNINB-ZYHUDNBSSA-N 1 1 309.370 -1.142 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)COCc1ccnn1C ZINC001207681303 779922942 /nfs/dbraw/zinc/92/29/42/779922942.db2.gz PWJNYJWCRMNINB-ZYHUDNBSSA-N 1 1 309.370 -1.142 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001207652771 779923133 /nfs/dbraw/zinc/92/31/33/779923133.db2.gz LDHDQABLLSPAEM-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001207652771 779923135 /nfs/dbraw/zinc/92/31/35/779923135.db2.gz LDHDQABLLSPAEM-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC001207664737 779923648 /nfs/dbraw/zinc/92/36/48/779923648.db2.gz WRNAMKYKCZJIAA-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1cnc[nH]c1=O ZINC001207664737 779923658 /nfs/dbraw/zinc/92/36/58/779923658.db2.gz WRNAMKYKCZJIAA-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207542002 779923900 /nfs/dbraw/zinc/92/39/00/779923900.db2.gz ULARSJSJIBRLCQ-SECBINFHSA-N 1 1 311.346 -1.353 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001207736649 779924567 /nfs/dbraw/zinc/92/45/67/779924567.db2.gz WUOWRNGLQPYZGS-ZYHUDNBSSA-N 1 1 314.386 -1.678 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001207731886 779924848 /nfs/dbraw/zinc/92/48/48/779924848.db2.gz VQCKQIIRSSJAOD-SNVBAGLBSA-N 1 1 308.342 -1.272 20 0 DAADMO COCCOCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207714213 779925428 /nfs/dbraw/zinc/92/54/28/779925428.db2.gz HWOHSJIRJRPCBR-NSHDSACASA-N 1 1 312.374 -1.046 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001207763393 779926639 /nfs/dbraw/zinc/92/66/39/779926639.db2.gz CECICIIBTKVXHC-SECBINFHSA-N 1 1 323.357 -1.487 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2nncn2C)C1 ZINC001207902635 779929129 /nfs/dbraw/zinc/92/91/29/779929129.db2.gz QJNVKOTWWNEURM-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001207902915 779929317 /nfs/dbraw/zinc/92/93/17/779929317.db2.gz XTWJUVQOEIBACF-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001207983973 779930437 /nfs/dbraw/zinc/93/04/37/779930437.db2.gz ZKGFXCNRNSCKNF-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001208041832 779931794 /nfs/dbraw/zinc/93/17/94/779931794.db2.gz MUUKJFNBGGWDNP-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001208041927 779931876 /nfs/dbraw/zinc/93/18/76/779931876.db2.gz LEKZKSPHKRLCIV-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001208041927 779931879 /nfs/dbraw/zinc/93/18/79/779931879.db2.gz LEKZKSPHKRLCIV-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001208004715 779932139 /nfs/dbraw/zinc/93/21/39/779932139.db2.gz BKTMXJRFEOIDDA-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001208138577 779933044 /nfs/dbraw/zinc/93/30/44/779933044.db2.gz LGUMDSMNTJTPNH-MWLCHTKSSA-N 1 1 304.416 -1.113 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001208139363 779933531 /nfs/dbraw/zinc/93/35/31/779933531.db2.gz WISRHOUZHFBYNB-NXEZZACHSA-N 1 1 308.404 -2.141 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208139484 779933622 /nfs/dbraw/zinc/93/36/22/779933622.db2.gz XSUSWINVAZREJT-RKDXNWHRSA-N 1 1 321.403 -2.777 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001208139484 779933629 /nfs/dbraw/zinc/93/36/29/779933629.db2.gz XSUSWINVAZREJT-RKDXNWHRSA-N 1 1 321.403 -2.777 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001208286607 779936205 /nfs/dbraw/zinc/93/62/05/779936205.db2.gz YPTWPAUMRWSDKG-NXEZZACHSA-N 1 1 324.389 -1.219 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208366563 779937374 /nfs/dbraw/zinc/93/73/74/779937374.db2.gz FPSWUUSVWZHKOT-MOCCIAMBSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208366563 779937379 /nfs/dbraw/zinc/93/73/79/779937379.db2.gz FPSWUUSVWZHKOT-MOCCIAMBSA-N 1 1 324.381 -1.101 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001208298311 779937907 /nfs/dbraw/zinc/93/79/07/779937907.db2.gz JKHUNVNKNLPIGK-HRDYMLBCSA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001208298311 779937912 /nfs/dbraw/zinc/93/79/12/779937912.db2.gz JKHUNVNKNLPIGK-HRDYMLBCSA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001208444917 779938977 /nfs/dbraw/zinc/93/89/77/779938977.db2.gz KNTXVYAIFQDCQU-ADEWGFFLSA-N 1 1 323.397 -1.370 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208445052 779939240 /nfs/dbraw/zinc/93/92/40/779939240.db2.gz PMAXJDFTHDINAC-OUAUKWLOSA-N 1 1 311.386 -1.417 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208445052 779939248 /nfs/dbraw/zinc/93/92/48/779939248.db2.gz PMAXJDFTHDINAC-OUAUKWLOSA-N 1 1 311.386 -1.417 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)C(N)=O ZINC001208449999 779939786 /nfs/dbraw/zinc/93/97/86/779939786.db2.gz KFWJSRWQEAMLBG-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444926 779939820 /nfs/dbraw/zinc/93/98/20/779939820.db2.gz LBLGTOFZAQRYBY-OUAUKWLOSA-N 1 1 311.386 -1.371 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001208444926 779939823 /nfs/dbraw/zinc/93/98/23/779939823.db2.gz LBLGTOFZAQRYBY-OUAUKWLOSA-N 1 1 311.386 -1.371 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208450508 779940625 /nfs/dbraw/zinc/94/06/25/779940625.db2.gz UXMMISWMXDWYLZ-GMTAPVOTSA-N 1 1 303.359 -2.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455462 779940878 /nfs/dbraw/zinc/94/08/78/779940878.db2.gz QHQKMZHZMLRCNI-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001208455462 779940884 /nfs/dbraw/zinc/94/08/84/779940884.db2.gz QHQKMZHZMLRCNI-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208472150 779941415 /nfs/dbraw/zinc/94/14/15/779941415.db2.gz PPOPCNSFPRALGL-GHMZBOCLSA-N 1 1 323.397 -1.286 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)n1 ZINC001208692333 779942060 /nfs/dbraw/zinc/94/20/60/779942060.db2.gz ZOUWFYWHXFNQGZ-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]2C)n1 ZINC001208692333 779942063 /nfs/dbraw/zinc/94/20/63/779942063.db2.gz ZOUWFYWHXFNQGZ-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC(N)=O ZINC001276570983 779942298 /nfs/dbraw/zinc/94/22/98/779942298.db2.gz SUUSURABDFAZAE-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1NC(=O)CC(N)=O ZINC001276570980 779942603 /nfs/dbraw/zinc/94/26/03/779942603.db2.gz SUUSURABDFAZAE-NEPJUHHUSA-N 1 1 323.397 -1.054 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001208910876 779943433 /nfs/dbraw/zinc/94/34/33/779943433.db2.gz VJKSBZYPVVRNKP-IUCAKERBSA-N 1 1 323.357 -1.109 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208902578 779943602 /nfs/dbraw/zinc/94/36/02/779943602.db2.gz WNIRJWKDKNDRCW-QMMMGPOBSA-N 1 1 309.330 -1.498 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001208924815 779943831 /nfs/dbraw/zinc/94/38/31/779943831.db2.gz POEIGQYIHUSOJR-OUAUKWLOSA-N 1 1 307.416 -1.257 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001208910877 779944130 /nfs/dbraw/zinc/94/41/30/779944130.db2.gz VJKSBZYPVVRNKP-RKDXNWHRSA-N 1 1 323.357 -1.109 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208985464 779945160 /nfs/dbraw/zinc/94/51/60/779945160.db2.gz SPYHNDLANUDFSO-RKDXNWHRSA-N 1 1 321.403 -2.696 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208985464 779945166 /nfs/dbraw/zinc/94/51/66/779945166.db2.gz SPYHNDLANUDFSO-RKDXNWHRSA-N 1 1 321.403 -2.696 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208970390 779945656 /nfs/dbraw/zinc/94/56/56/779945656.db2.gz DFJZQGHIWGPDSS-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001208970390 779945661 /nfs/dbraw/zinc/94/56/61/779945661.db2.gz DFJZQGHIWGPDSS-MWLCHTKSSA-N 1 1 322.369 -1.177 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCN3CCOC[C@@H]3C2)O1 ZINC001209271058 779946830 /nfs/dbraw/zinc/94/68/30/779946830.db2.gz PQAIKOAZSBIIRQ-RFQIPJPRSA-N 1 1 316.398 -1.124 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)O1 ZINC001209270360 779947480 /nfs/dbraw/zinc/94/74/80/779947480.db2.gz HYMFDDQNUBUXCD-IEECTRCBSA-N 1 1 305.371 -1.465 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C)C(N)=O ZINC001209217361 779947809 /nfs/dbraw/zinc/94/78/09/779947809.db2.gz GCHVPEQLXXIFQF-DVVUODLYSA-N 1 1 302.350 -1.228 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C)C(N)=O ZINC001209217361 779947814 /nfs/dbraw/zinc/94/78/14/779947814.db2.gz GCHVPEQLXXIFQF-DVVUODLYSA-N 1 1 302.350 -1.228 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCOC[C@](C)(O)C2)O1 ZINC001209269771 779947869 /nfs/dbraw/zinc/94/78/69/779947869.db2.gz BGIVZBQCIDTJJB-GFQSEFKGSA-N 1 1 305.371 -1.057 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](CO)[C@H](O)C2)O1 ZINC001209270361 779947904 /nfs/dbraw/zinc/94/79/04/779947904.db2.gz HYMFDDQNUBUXCD-NJMOYASZSA-N 1 1 305.371 -1.465 20 0 DAADMO CN(C1COC1)C1C[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209275823 779949162 /nfs/dbraw/zinc/94/91/62/779949162.db2.gz JGPJVXFLPSPJQR-HZSPNIEDSA-N 1 1 316.398 -1.126 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209275232 779949223 /nfs/dbraw/zinc/94/92/23/779949223.db2.gz QQWLROQOJKNMQP-MXWKQRLJSA-N 1 1 324.381 -1.294 20 0 DAADMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](CCN1CCOCC1)C2 ZINC001209292656 779949478 /nfs/dbraw/zinc/94/94/78/779949478.db2.gz WLGLSJPCQZBVSX-HNNXBMFYSA-N 1 1 310.398 -1.259 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001276634205 779950688 /nfs/dbraw/zinc/95/06/88/779950688.db2.gz PXXLGZLJGWVTPO-MNOVXSKESA-N 1 1 306.370 -1.064 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)n1 ZINC001276633112 779950887 /nfs/dbraw/zinc/95/08/87/779950887.db2.gz CLBKNRAXDSELHP-VXGBXAGGSA-N 1 1 306.370 -1.064 20 0 DAADMO COCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001276633944 779951310 /nfs/dbraw/zinc/95/13/10/779951310.db2.gz PFODWHYVVUXYKE-RTCCRHLQSA-N 1 1 310.354 -1.521 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC001209691903 779954856 /nfs/dbraw/zinc/95/48/56/779954856.db2.gz ZRXBSITZVJOHHF-JTQLQIEISA-N 1 1 323.357 -1.487 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC001209691903 779954863 /nfs/dbraw/zinc/95/48/63/779954863.db2.gz ZRXBSITZVJOHHF-JTQLQIEISA-N 1 1 323.357 -1.487 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722203 779955914 /nfs/dbraw/zinc/95/59/14/779955914.db2.gz DJRFEEKUYWVHJT-OUAUKWLOSA-N 1 1 309.374 -1.366 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209723298 779955995 /nfs/dbraw/zinc/95/59/95/779955995.db2.gz RLIAKQGOYXWUKW-GRYCIOLGSA-N 1 1 312.374 -1.493 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209723868 779956098 /nfs/dbraw/zinc/95/60/98/779956098.db2.gz XLBUGHXQZWGDGC-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209723868 779956105 /nfs/dbraw/zinc/95/61/05/779956105.db2.gz XLBUGHXQZWGDGC-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722901 779956297 /nfs/dbraw/zinc/95/62/97/779956297.db2.gz MLHXKSZSUYWLNB-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001209713778 779956841 /nfs/dbraw/zinc/95/68/41/779956841.db2.gz SDNOWBJBAVBRFH-RKDXNWHRSA-N 1 1 308.342 -1.416 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC001209713778 779956844 /nfs/dbraw/zinc/95/68/44/779956844.db2.gz SDNOWBJBAVBRFH-RKDXNWHRSA-N 1 1 308.342 -1.416 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209912010 779957855 /nfs/dbraw/zinc/95/78/55/779957855.db2.gz CUROLXLTBWODSX-GMSGAONNSA-N 1 1 324.341 -1.448 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209912010 779957859 /nfs/dbraw/zinc/95/78/59/779957859.db2.gz CUROLXLTBWODSX-GMSGAONNSA-N 1 1 324.341 -1.448 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001210307201 779961560 /nfs/dbraw/zinc/96/15/60/779961560.db2.gz IDYHBYCVBPJVNT-KKZNHRDASA-N 1 1 313.402 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001210307201 779961562 /nfs/dbraw/zinc/96/15/62/779961562.db2.gz IDYHBYCVBPJVNT-KKZNHRDASA-N 1 1 313.402 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001210683579 779963443 /nfs/dbraw/zinc/96/34/43/779963443.db2.gz FKGZLJIGFOWILY-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210882771 779964932 /nfs/dbraw/zinc/96/49/32/779964932.db2.gz CHULOFFWFXXIAQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001210882771 779964939 /nfs/dbraw/zinc/96/49/39/779964939.db2.gz CHULOFFWFXXIAQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCNC(N)=O ZINC001210890810 779965140 /nfs/dbraw/zinc/96/51/40/779965140.db2.gz LFRGNZUINQLRJX-MWLCHTKSSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCNC(N)=O ZINC001210890810 779965148 /nfs/dbraw/zinc/96/51/48/779965148.db2.gz LFRGNZUINQLRJX-MWLCHTKSSA-N 1 1 309.374 -1.190 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CCNC(N)=O)C2)nn1 ZINC001211002946 779966798 /nfs/dbraw/zinc/96/67/98/779966798.db2.gz XWBRRQKVIDKFHG-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001211032391 779967005 /nfs/dbraw/zinc/96/70/05/779967005.db2.gz IQTFMFUXWKTATG-UHFFFAOYSA-N 1 1 320.415 -1.171 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001211084902 779968490 /nfs/dbraw/zinc/96/84/90/779968490.db2.gz ZXDSDWCMRIKCNY-GHMZBOCLSA-N 1 1 323.415 -2.019 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC(N)=O ZINC001211458679 779969134 /nfs/dbraw/zinc/96/91/34/779969134.db2.gz NPRWBXYDEHUUIR-GMTAPVOTSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001211452380 779969220 /nfs/dbraw/zinc/96/92/20/779969220.db2.gz WWXNLXGGYFRNSI-OUAUKWLOSA-N 1 1 322.369 -1.097 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001211452380 779969225 /nfs/dbraw/zinc/96/92/25/779969225.db2.gz WWXNLXGGYFRNSI-OUAUKWLOSA-N 1 1 322.369 -1.097 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 ZINC001211326921 779970068 /nfs/dbraw/zinc/97/00/68/779970068.db2.gz YCOYGSGDHOOZFY-NXEZZACHSA-N 1 1 313.402 -1.124 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)NC(=O)NC)C1 ZINC001211326921 779970074 /nfs/dbraw/zinc/97/00/74/779970074.db2.gz YCOYGSGDHOOZFY-NXEZZACHSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001211369179 779970238 /nfs/dbraw/zinc/97/02/38/779970238.db2.gz DITVTUOVAUZSJW-GHMZBOCLSA-N 1 1 313.402 -1.042 20 0 DAADMO CCCC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](OC)C1 ZINC001213219301 779971514 /nfs/dbraw/zinc/97/15/14/779971514.db2.gz LNSJLAOKVJJJMV-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cncn1C ZINC001213128611 779972270 /nfs/dbraw/zinc/97/22/70/779972270.db2.gz BXZSFFYDTCGIGX-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cncn1C ZINC001213128611 779972272 /nfs/dbraw/zinc/97/22/72/779972272.db2.gz BXZSFFYDTCGIGX-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1OC ZINC001213224366 779972301 /nfs/dbraw/zinc/97/23/01/779972301.db2.gz ZFBWVZXRXRWFRN-GHMZBOCLSA-N 1 1 320.415 -1.734 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001213344356 779973744 /nfs/dbraw/zinc/97/37/44/779973744.db2.gz NJPNXUWPXGTJHZ-IJLUTSLNSA-N 1 1 314.386 -1.090 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001213267079 779974033 /nfs/dbraw/zinc/97/40/33/779974033.db2.gz XQXPSUSNFMWIEH-GRYCIOLGSA-N 1 1 314.386 -1.138 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001213264749 779974084 /nfs/dbraw/zinc/97/40/84/779974084.db2.gz CEIRXHCWMQCLNQ-IJLUTSLNSA-N 1 1 324.385 -1.395 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H](C)CC(N)=O ZINC001213264749 779974092 /nfs/dbraw/zinc/97/40/92/779974092.db2.gz CEIRXHCWMQCLNQ-IJLUTSLNSA-N 1 1 324.385 -1.395 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)COc1cnn(C)c1 ZINC001213338118 779974176 /nfs/dbraw/zinc/97/41/76/779974176.db2.gz SLCALLZVBOIRGR-RAIGVLPGSA-N 1 1 312.370 -1.005 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H](OC)C1 ZINC001213267080 779974222 /nfs/dbraw/zinc/97/42/22/779974222.db2.gz XQXPSUSNFMWIEH-IJLUTSLNSA-N 1 1 314.386 -1.138 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001213350016 779975766 /nfs/dbraw/zinc/97/57/66/779975766.db2.gz CEYVVSKOKFTETO-HBNTYKKESA-N 1 1 319.358 -2.689 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001213350016 779975772 /nfs/dbraw/zinc/97/57/72/779975772.db2.gz CEYVVSKOKFTETO-HBNTYKKESA-N 1 1 319.358 -2.689 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC001213489216 779976601 /nfs/dbraw/zinc/97/66/01/779976601.db2.gz PRPAOKLHESYTOM-YNEHKIRRSA-N 1 1 312.370 -1.225 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001213387123 779977149 /nfs/dbraw/zinc/97/71/49/779977149.db2.gz MIKPAASVBSELTG-JMJZKYOTSA-N 1 1 316.333 -1.015 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@H](OC)C1 ZINC001213387123 779977154 /nfs/dbraw/zinc/97/71/54/779977154.db2.gz MIKPAASVBSELTG-JMJZKYOTSA-N 1 1 316.333 -1.015 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378267 779977450 /nfs/dbraw/zinc/97/74/50/779977450.db2.gz JKGFGWFAEDZLJW-CHWSQXEVSA-N 1 1 303.403 -1.238 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001213502353 779978799 /nfs/dbraw/zinc/97/87/99/779978799.db2.gz CWGCDGKEUBFRCM-NXEZZACHSA-N 1 1 324.403 -2.810 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001213537033 779979177 /nfs/dbraw/zinc/97/91/77/779979177.db2.gz AYRYYNKTHQOCTL-HBNTYKKESA-N 1 1 316.358 -2.826 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COC[C@@H]1CCOC1 ZINC001213507141 779979397 /nfs/dbraw/zinc/97/93/97/779979397.db2.gz ZDSHXLVSOQQIRZ-JHJVBQTASA-N 1 1 302.371 -1.153 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001213631540 779980783 /nfs/dbraw/zinc/98/07/83/779980783.db2.gz RNFJRARQWUNTGQ-HTQZYQBOSA-N 1 1 313.276 -1.527 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001213631540 779980792 /nfs/dbraw/zinc/98/07/92/779980792.db2.gz RNFJRARQWUNTGQ-HTQZYQBOSA-N 1 1 313.276 -1.527 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@H](OC)C1 ZINC001213700751 779982753 /nfs/dbraw/zinc/98/27/53/779982753.db2.gz YAZSKWQRERYQNF-GMTAPVOTSA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001213700751 779982757 /nfs/dbraw/zinc/98/27/57/779982757.db2.gz YAZSKWQRERYQNF-GMTAPVOTSA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](OC)C1 ZINC001213700751 779982760 /nfs/dbraw/zinc/98/27/60/779982760.db2.gz YAZSKWQRERYQNF-GMTAPVOTSA-N 1 1 313.358 -1.830 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213749875 779983112 /nfs/dbraw/zinc/98/31/12/779983112.db2.gz DMUIXCFDXINPFN-WRWGMCAJSA-N 1 1 315.370 -1.912 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](OC)C1 ZINC001213749874 779983227 /nfs/dbraw/zinc/98/32/27/779983227.db2.gz DMUIXCFDXINPFN-NNYUYHANSA-N 1 1 315.370 -1.912 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213829217 779984259 /nfs/dbraw/zinc/98/42/59/779984259.db2.gz PAPONVNAVFMEJZ-GMTAPVOTSA-N 1 1 302.375 -1.105 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCNC(N)=O ZINC001213829518 779984496 /nfs/dbraw/zinc/98/44/96/779984496.db2.gz WDSNYVUFAZFBKU-GHMZBOCLSA-N 1 1 318.374 -2.131 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001213829064 779984586 /nfs/dbraw/zinc/98/45/86/779984586.db2.gz MREHLJCHTUJOGM-IJLUTSLNSA-N 1 1 314.386 -1.103 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001213829336 779985337 /nfs/dbraw/zinc/98/53/37/779985337.db2.gz QSYOEYSGSZSZNG-OPRDCNLKSA-N 1 1 314.342 -2.218 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1cncn1 ZINC001213820956 779985546 /nfs/dbraw/zinc/98/55/46/779985546.db2.gz IDXIFPCBRKVRJD-VXGBXAGGSA-N 1 1 313.358 -1.898 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857165 779985557 /nfs/dbraw/zinc/98/55/57/779985557.db2.gz GVONAZBSWHZEMF-YNEHKIRRSA-N 1 1 312.414 -1.110 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)c1ccccn1 ZINC001213905591 779986823 /nfs/dbraw/zinc/98/68/23/779986823.db2.gz FFEDGSDAPWEUOU-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cn1ccnc1 ZINC001213977661 779987386 /nfs/dbraw/zinc/98/73/86/779987386.db2.gz SBFVBJCAIWHPBO-CHWSQXEVSA-N 1 1 312.370 -1.293 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001276708025 779987987 /nfs/dbraw/zinc/98/79/87/779987987.db2.gz LXGXFRGLQIMVJT-CHWFTXMASA-N 1 1 306.366 -1.566 20 0 DAADMO CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276707632 779988421 /nfs/dbraw/zinc/98/84/21/779988421.db2.gz IYECDYOSKWDLNH-FIQHERPVSA-N 1 1 310.398 -1.074 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@H](OC)C1 ZINC001213983773 779988469 /nfs/dbraw/zinc/98/84/69/779988469.db2.gz YBVGTFVDPKOFAH-IJLUTSLNSA-N 1 1 317.386 -1.535 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001214061101 779988483 /nfs/dbraw/zinc/98/84/83/779988483.db2.gz NKROBJNBDPABMS-FXPVBKGRSA-N 1 1 309.374 -1.156 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C4(C(N)=O)CC4)[C@@H]3C2)nn1 ZINC001276707355 779989017 /nfs/dbraw/zinc/98/90/17/779989017.db2.gz FPZQZTFDZONVDY-CNDDSTCGSA-N 1 1 318.381 -1.125 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4(C(N)=O)CC4)[C@@H]3C2)nn1 ZINC001276707355 779989022 /nfs/dbraw/zinc/98/90/22/779989022.db2.gz FPZQZTFDZONVDY-CNDDSTCGSA-N 1 1 318.381 -1.125 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)c1nnnn1C ZINC001214120654 779990518 /nfs/dbraw/zinc/99/05/18/779990518.db2.gz OATWKJYHMALGJA-IWSPIJDZSA-N 1 1 310.362 -1.624 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001214509358 779995531 /nfs/dbraw/zinc/99/55/31/779995531.db2.gz KLHQXSFMXCQRIF-WCABBAIRSA-N 1 1 309.374 -1.192 20 0 DAADMO C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001214624016 779999148 /nfs/dbraw/zinc/99/91/48/779999148.db2.gz NMMFLBMAOLRJDN-KXUCPTDWSA-N 1 1 324.389 -1.407 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001214790883 780000795 /nfs/dbraw/zinc/00/07/95/780000795.db2.gz YXTOMSHEFWGWEH-MWLCHTKSSA-N 1 1 309.374 -1.319 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001215288172 780004792 /nfs/dbraw/zinc/00/47/92/780004792.db2.gz HVZIJWWKDDRHSX-HTRCEHHLSA-N 1 1 309.330 -1.642 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215291950 780004883 /nfs/dbraw/zinc/00/48/83/780004883.db2.gz KFXMWLWMLUMREM-FTLITQJKSA-N 1 1 323.357 -1.253 20 0 DAADMO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215824816 780011337 /nfs/dbraw/zinc/01/13/37/780011337.db2.gz CLMJECUBGSPVQB-NXEZZACHSA-N 1 1 309.374 -1.375 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(C)=O)[C@H]2C1 ZINC001217212036 780017794 /nfs/dbraw/zinc/01/77/94/780017794.db2.gz GHZPPOVBZGGRKY-RWMBFGLXSA-N 1 1 315.370 -1.959 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217275482 780020340 /nfs/dbraw/zinc/02/03/40/780020340.db2.gz ILNSRZLAIXBCDC-LPEHRKFASA-N 1 1 311.342 -2.545 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217275482 780020346 /nfs/dbraw/zinc/02/03/46/780020346.db2.gz ILNSRZLAIXBCDC-LPEHRKFASA-N 1 1 311.342 -2.545 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217269770 780020789 /nfs/dbraw/zinc/02/07/89/780020789.db2.gz AZAHVCHEBSZNDD-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO NC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]21 ZINC001217270881 780021225 /nfs/dbraw/zinc/02/12/25/780021225.db2.gz WDVXSJMVCIGPGS-SDDRHHMPSA-N 1 1 312.370 -1.397 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217435225 780022503 /nfs/dbraw/zinc/02/25/03/780022503.db2.gz NABFWTDUJVIJFZ-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO Cn1nccc1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217435225 780022508 /nfs/dbraw/zinc/02/25/08/780022508.db2.gz NABFWTDUJVIJFZ-UONOGXRCSA-N 1 1 324.381 -1.046 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217555378 780022592 /nfs/dbraw/zinc/02/25/92/780022592.db2.gz UVSDNRMKRNYOEF-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217555378 780022603 /nfs/dbraw/zinc/02/26/03/780022603.db2.gz UVSDNRMKRNYOEF-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)OC)[C@H]2C1 ZINC001217408903 780022861 /nfs/dbraw/zinc/02/28/61/780022861.db2.gz QGUOYXCTESGPCO-MROQNXINSA-N 1 1 302.371 -1.060 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217705741 780024586 /nfs/dbraw/zinc/02/45/86/780024586.db2.gz YEAYORTUGAAJDG-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc[nH]n3)[C@H]2C1 ZINC001217584795 780025178 /nfs/dbraw/zinc/02/51/78/780025178.db2.gz GFGQFQWPDDNBEX-MELADBBJSA-N 1 1 324.381 -1.129 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001217584795 780025184 /nfs/dbraw/zinc/02/51/84/780025184.db2.gz GFGQFQWPDDNBEX-MELADBBJSA-N 1 1 324.381 -1.129 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccn[nH]3)[C@H]2C1 ZINC001217584795 780025189 /nfs/dbraw/zinc/02/51/89/780025189.db2.gz GFGQFQWPDDNBEX-MELADBBJSA-N 1 1 324.381 -1.129 20 0 DAADMO COCCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001217560863 780025274 /nfs/dbraw/zinc/02/52/74/780025274.db2.gz QTFDGEGGKDVAKD-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217826243 780027016 /nfs/dbraw/zinc/02/70/16/780027016.db2.gz LXTGPKTUOOAJBZ-NWDGAFQWSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(c1ncc[nH]1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217826243 780027026 /nfs/dbraw/zinc/02/70/26/780027026.db2.gz LXTGPKTUOOAJBZ-NWDGAFQWSA-N 1 1 310.354 -1.056 20 0 DAADMO C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)NC(N)=O ZINC001217896283 780027522 /nfs/dbraw/zinc/02/75/22/780027522.db2.gz YBPMVNHCQGORIF-SDDRHHMPSA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cncn3C)[C@H]2C1 ZINC001218242701 780029785 /nfs/dbraw/zinc/02/97/85/780029785.db2.gz PHAWNPZYPKJWSU-KWCYVHTRSA-N 1 1 324.381 -1.047 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218066111 780029849 /nfs/dbraw/zinc/02/98/49/780029849.db2.gz NMMMRQPXLJAKGG-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218376464 780030966 /nfs/dbraw/zinc/03/09/66/780030966.db2.gz FNTSWDFLDVTPDJ-VHSXEESVSA-N 1 1 322.387 -3.056 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218376464 780030973 /nfs/dbraw/zinc/03/09/73/780030973.db2.gz FNTSWDFLDVTPDJ-VHSXEESVSA-N 1 1 322.387 -3.056 20 0 DAADMO COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001218449379 780031478 /nfs/dbraw/zinc/03/14/78/780031478.db2.gz WWVSGNGIKBWIIV-WDEREUQCSA-N 1 1 310.358 -1.228 20 0 DAADMO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cn[nH]c2C(N)=O)COC1(C)C ZINC001218563476 780032661 /nfs/dbraw/zinc/03/26/61/780032661.db2.gz BJALAWBIGMNGMI-XPUUQOCRSA-N 1 1 324.341 -1.242 20 0 DAADMO CCOC(=O)c1nc[nH]c1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218559291 780033861 /nfs/dbraw/zinc/03/38/61/780033861.db2.gz KXSWNXLZMGYTCV-QMMMGPOBSA-N 1 1 309.326 -1.145 20 0 DAADMO COC[C@H](OC)C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218609293 780036665 /nfs/dbraw/zinc/03/66/65/780036665.db2.gz OENREEHCYQVLPL-XQQFMLRXSA-N 1 1 302.371 -1.058 20 0 DAADMO Cc1nc2[nH]cnc2c(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)n1 ZINC001218699604 780039749 /nfs/dbraw/zinc/03/97/49/780039749.db2.gz MXXIWUJBICLKDF-FSPLSTOPSA-N 1 1 307.314 -1.576 20 0 DAADMO NS(=O)(=O)c1cncc(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)c1 ZINC001218750337 780040478 /nfs/dbraw/zinc/04/04/78/780040478.db2.gz DPVKRUWTTXZRJB-SNVBAGLBSA-N 1 1 310.339 -1.039 20 0 DAADMO CN(C)c1cc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)n[nH]1 ZINC001218743679 780041210 /nfs/dbraw/zinc/04/12/10/780041210.db2.gz WSZCCWFJUQQAHJ-UHFFFAOYSA-N 1 1 304.376 -1.366 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219024888 780044852 /nfs/dbraw/zinc/04/48/52/780044852.db2.gz JUNQTFIGKGBRRW-WDEREUQCSA-N 1 1 300.359 -1.397 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001219039687 780044942 /nfs/dbraw/zinc/04/49/42/780044942.db2.gz WLKLNXQNACDCQG-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001219039687 780044948 /nfs/dbraw/zinc/04/49/48/780044948.db2.gz WLKLNXQNACDCQG-OUAUKWLOSA-N 1 1 321.399 -2.172 20 0 DAADMO CCNC(=O)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219031992 780046292 /nfs/dbraw/zinc/04/62/92/780046292.db2.gz LXYCCAXYOXNKFU-HZSPNIEDSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)n3)[C@H]2C1 ZINC001219032064 780046334 /nfs/dbraw/zinc/04/63/34/780046334.db2.gz OJJXSRUPPGFAEP-FPMFFAJLSA-N 1 1 324.381 -1.047 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(C)n3)[C@H]2C1 ZINC001219032064 780046340 /nfs/dbraw/zinc/04/63/40/780046340.db2.gz OJJXSRUPPGFAEP-FPMFFAJLSA-N 1 1 324.381 -1.047 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001219039266 780046364 /nfs/dbraw/zinc/04/63/64/780046364.db2.gz CJXQPYJLNWRUEY-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001219039266 780046372 /nfs/dbraw/zinc/04/63/72/780046372.db2.gz CJXQPYJLNWRUEY-WDEREUQCSA-N 1 1 321.399 -2.170 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219079240 780047281 /nfs/dbraw/zinc/04/72/81/780047281.db2.gz SWIYIUKGHBBKNX-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001219079240 780047285 /nfs/dbraw/zinc/04/72/85/780047285.db2.gz SWIYIUKGHBBKNX-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001219080390 780047682 /nfs/dbraw/zinc/04/76/82/780047682.db2.gz IOMJCYLSCKHRPR-UPJWGTAASA-N 1 1 312.370 -1.558 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219080278 780048064 /nfs/dbraw/zinc/04/80/64/780048064.db2.gz GPCOWAIOZZJKIW-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001219080278 780048072 /nfs/dbraw/zinc/04/80/72/780048072.db2.gz GPCOWAIOZZJKIW-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001219093167 780049361 /nfs/dbraw/zinc/04/93/61/780049361.db2.gz JSBWOSQRHBFEMY-UTUOFQBUSA-N 1 1 306.359 -2.182 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001219095427 780050232 /nfs/dbraw/zinc/05/02/32/780050232.db2.gz PNEBRAQYVSLTFG-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@@H]1O ZINC001219095427 780050242 /nfs/dbraw/zinc/05/02/42/780050242.db2.gz PNEBRAQYVSLTFG-NEPJUHHUSA-N 1 1 316.402 -1.108 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@@H](O)C1 ZINC001219095117 780050725 /nfs/dbraw/zinc/05/07/25/780050725.db2.gz IUKSRIYATFDOFX-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](O)C1 ZINC001219134947 780054179 /nfs/dbraw/zinc/05/41/79/780054179.db2.gz VJXLIORLDSHCQG-MXWKQRLJSA-N 1 1 302.327 -1.957 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001219134923 780054545 /nfs/dbraw/zinc/05/45/45/780054545.db2.gz TYUCTGIOUADJHH-OLZOCXBDSA-N 1 1 311.338 -1.896 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001219134923 780054548 /nfs/dbraw/zinc/05/45/48/780054548.db2.gz TYUCTGIOUADJHH-OLZOCXBDSA-N 1 1 311.338 -1.896 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151352 780055704 /nfs/dbraw/zinc/05/57/04/780055704.db2.gz IVPZCTWZZCWKFH-UHTWSYAYSA-N 1 1 317.386 -1.665 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151352 780055711 /nfs/dbraw/zinc/05/57/11/780055711.db2.gz IVPZCTWZZCWKFH-UHTWSYAYSA-N 1 1 317.386 -1.665 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219145061 780056039 /nfs/dbraw/zinc/05/60/39/780056039.db2.gz DZBJANCSSJAJEE-UTUOFQBUSA-N 1 1 309.370 -1.037 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219145228 780056905 /nfs/dbraw/zinc/05/69/05/780056905.db2.gz HKXKJPZMHADWNH-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219145228 780056914 /nfs/dbraw/zinc/05/69/14/780056914.db2.gz HKXKJPZMHADWNH-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219152034 780057524 /nfs/dbraw/zinc/05/75/24/780057524.db2.gz WKWCKUKMWNAIBT-WCQGTBRESA-N 1 1 310.358 -2.036 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219152034 780057531 /nfs/dbraw/zinc/05/75/31/780057531.db2.gz WKWCKUKMWNAIBT-WCQGTBRESA-N 1 1 310.358 -2.036 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219156820 780057991 /nfs/dbraw/zinc/05/79/91/780057991.db2.gz JUXXMEZXSAEWMU-NEPJUHHUSA-N 1 1 319.427 -1.337 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001219156820 780057996 /nfs/dbraw/zinc/05/79/96/780057996.db2.gz JUXXMEZXSAEWMU-NEPJUHHUSA-N 1 1 319.427 -1.337 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219152033 780058249 /nfs/dbraw/zinc/05/82/49/780058249.db2.gz WKWCKUKMWNAIBT-JLLWLGSASA-N 1 1 310.358 -2.036 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219152033 780058255 /nfs/dbraw/zinc/05/82/55/780058255.db2.gz WKWCKUKMWNAIBT-JLLWLGSASA-N 1 1 310.358 -2.036 20 0 DAADMO CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165124 780059535 /nfs/dbraw/zinc/05/95/35/780059535.db2.gz GVCHHBVSIOQNBN-NEPJUHHUSA-N 1 1 316.402 -1.121 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001219163016 780059827 /nfs/dbraw/zinc/05/98/27/780059827.db2.gz BRQCSSDYAZKUJZ-OLZOCXBDSA-N 1 1 312.370 -1.142 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](O)C1 ZINC001219163016 780059831 /nfs/dbraw/zinc/05/98/31/780059831.db2.gz BRQCSSDYAZKUJZ-OLZOCXBDSA-N 1 1 312.370 -1.142 20 0 DAADMO Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167069 780061049 /nfs/dbraw/zinc/06/10/49/780061049.db2.gz GSJXKRFMPTZKJP-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167069 780061056 /nfs/dbraw/zinc/06/10/56/780061056.db2.gz GSJXKRFMPTZKJP-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cc1=O ZINC001219167363 780061188 /nfs/dbraw/zinc/06/11/88/780061188.db2.gz UBHBURIWOSUMOG-MNOVXSKESA-N 1 1 323.353 -2.285 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001219168604 780061426 /nfs/dbraw/zinc/06/14/26/780061426.db2.gz ICFRTLDVNKBKGC-MNOVXSKESA-N 1 1 300.359 -1.615 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)c1 ZINC001219167379 780061634 /nfs/dbraw/zinc/06/16/34/780061634.db2.gz UWTHXYXRVHYXPX-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)c1 ZINC001219167379 780061640 /nfs/dbraw/zinc/06/16/40/780061640.db2.gz UWTHXYXRVHYXPX-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169103 780062759 /nfs/dbraw/zinc/06/27/59/780062759.db2.gz WGJADWZKGFGVBL-UTLUCORTSA-N 1 1 313.358 -2.563 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1=O ZINC001219169103 780062768 /nfs/dbraw/zinc/06/27/68/780062768.db2.gz WGJADWZKGFGVBL-UTLUCORTSA-N 1 1 313.358 -2.563 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219182652 780064340 /nfs/dbraw/zinc/06/43/40/780064340.db2.gz PXGLWTMEABCBSM-UPJWGTAASA-N 1 1 302.371 -1.086 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219182652 780064350 /nfs/dbraw/zinc/06/43/50/780064350.db2.gz PXGLWTMEABCBSM-UPJWGTAASA-N 1 1 302.371 -1.086 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C)[C@@H](O)C1 ZINC001219180444 780064503 /nfs/dbraw/zinc/06/45/03/780064503.db2.gz DVIRPYIPUBJNJS-UHTWSYAYSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219182653 780064918 /nfs/dbraw/zinc/06/49/18/780064918.db2.gz PXGLWTMEABCBSM-XQQFMLRXSA-N 1 1 302.371 -1.086 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(C)=O)[C@@H](O)C1 ZINC001219182653 780064927 /nfs/dbraw/zinc/06/49/27/780064927.db2.gz PXGLWTMEABCBSM-XQQFMLRXSA-N 1 1 302.371 -1.086 20 0 DAADMO O=C(CCn1cccn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219209051 780065818 /nfs/dbraw/zinc/06/58/18/780065818.db2.gz VSKYBFAWCZZWJG-OLZOCXBDSA-N 1 1 312.370 -1.557 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206972 780066945 /nfs/dbraw/zinc/06/69/45/780066945.db2.gz RXAAAPSMYXRXSJ-UTUOFQBUSA-N 1 1 313.358 -2.163 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219206971 780067341 /nfs/dbraw/zinc/06/73/41/780067341.db2.gz RXAAAPSMYXRXSJ-TUAOUCFPSA-N 1 1 313.358 -2.163 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001219212052 780067361 /nfs/dbraw/zinc/06/73/61/780067361.db2.gz JLBNCJVEHLRJFQ-FRRDWIJNSA-N 1 1 302.371 -1.010 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001219200857 780067439 /nfs/dbraw/zinc/06/74/39/780067439.db2.gz FKFUDQTUOGKZJB-XQQFMLRXSA-N 1 1 312.370 -1.558 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219207082 780067493 /nfs/dbraw/zinc/06/74/93/780067493.db2.gz WQROODPLSWOZEC-XQQFMLRXSA-N 1 1 309.370 -1.134 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@@H](O)C1 ZINC001219230310 780069350 /nfs/dbraw/zinc/06/93/50/780069350.db2.gz WSMZPEFXMCVVGJ-UPJWGTAASA-N 1 1 304.387 -1.030 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219222154 780070210 /nfs/dbraw/zinc/07/02/10/780070210.db2.gz XSYMYJCXLFVRIW-KGLIPLIRSA-N 1 1 323.397 -1.398 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219223846 780070529 /nfs/dbraw/zinc/07/05/29/780070529.db2.gz VCMNNOBKIAMFFA-OLZOCXBDSA-N 1 1 309.370 -1.477 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257620 780073123 /nfs/dbraw/zinc/07/31/23/780073123.db2.gz LNIKCTQALNHJJU-UTUOFQBUSA-N 1 1 315.370 -2.319 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219259699 780073867 /nfs/dbraw/zinc/07/38/67/780073867.db2.gz SZLBIEWFSLIVOM-UHTWSYAYSA-N 1 1 311.382 -1.290 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1)OC ZINC001219274780 780075232 /nfs/dbraw/zinc/07/52/32/780075232.db2.gz HUXAYVAZECDEEH-AXFHLTTASA-N 1 1 303.359 -1.071 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219274836 780075260 /nfs/dbraw/zinc/07/52/60/780075260.db2.gz KNAGBLVAXUYDEO-MNOVXSKESA-N 1 1 303.359 -1.071 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219275011 780075626 /nfs/dbraw/zinc/07/56/26/780075626.db2.gz RAHYEQCEVBIGOY-MXWKQRLJSA-N 1 1 303.359 -1.335 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219275010 780075990 /nfs/dbraw/zinc/07/59/90/780075990.db2.gz RAHYEQCEVBIGOY-AXFHLTTASA-N 1 1 303.359 -1.335 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219275116 780077429 /nfs/dbraw/zinc/07/74/29/780077429.db2.gz VZDBDTOFCYOSIE-MNOVXSKESA-N 1 1 303.359 -1.070 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219293325 780078589 /nfs/dbraw/zinc/07/85/89/780078589.db2.gz WCMCGPVMQROTQV-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219293325 780078597 /nfs/dbraw/zinc/07/85/97/780078597.db2.gz WCMCGPVMQROTQV-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219318158 780080012 /nfs/dbraw/zinc/08/00/12/780080012.db2.gz JPXADEINFSUTMH-BNOWGMLFSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219318158 780080019 /nfs/dbraw/zinc/08/00/19/780080019.db2.gz JPXADEINFSUTMH-BNOWGMLFSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219312892 780080334 /nfs/dbraw/zinc/08/03/34/780080334.db2.gz QPMYFBGLQWAXCF-UPJWGTAASA-N 1 1 302.371 -1.153 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](O)C1 ZINC001219312892 780080345 /nfs/dbraw/zinc/08/03/45/780080345.db2.gz QPMYFBGLQWAXCF-UPJWGTAASA-N 1 1 302.371 -1.153 20 0 DAADMO CO[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219339272 780081333 /nfs/dbraw/zinc/08/13/33/780081333.db2.gz SZECGINMJPJHOP-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219339272 780081337 /nfs/dbraw/zinc/08/13/37/780081337.db2.gz SZECGINMJPJHOP-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1=COCCC1 ZINC001219328439 780081595 /nfs/dbraw/zinc/08/15/95/780081595.db2.gz NQGCQJXQKKORLF-OLZOCXBDSA-N 1 1 300.355 -1.149 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1=COCCC1 ZINC001219328439 780081600 /nfs/dbraw/zinc/08/16/00/780081600.db2.gz NQGCQJXQKKORLF-OLZOCXBDSA-N 1 1 300.355 -1.149 20 0 DAADMO COCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219337203 780082241 /nfs/dbraw/zinc/08/22/41/780082241.db2.gz SKPWQSDWYGYYDQ-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219357830 780083243 /nfs/dbraw/zinc/08/32/43/780083243.db2.gz MOEHVVNKBKQUAT-MCIONIFRSA-N 1 1 324.425 -1.232 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219360307 780083489 /nfs/dbraw/zinc/08/34/89/780083489.db2.gz ZJYHRVYJAOFSKW-TUAOUCFPSA-N 1 1 314.386 -1.545 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219360307 780083499 /nfs/dbraw/zinc/08/34/99/780083499.db2.gz ZJYHRVYJAOFSKW-TUAOUCFPSA-N 1 1 314.386 -1.545 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219370691 780085437 /nfs/dbraw/zinc/08/54/37/780085437.db2.gz GVXNLWLWXTWLPJ-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](O)C1 ZINC001219376189 780088205 /nfs/dbraw/zinc/08/82/05/780088205.db2.gz SDPOYXVGSCTBSY-XQQFMLRXSA-N 1 1 313.354 -1.306 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219376218 780088538 /nfs/dbraw/zinc/08/85/38/780088538.db2.gz UDPPHTFMTOETST-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219376218 780088546 /nfs/dbraw/zinc/08/85/46/780088546.db2.gz UDPPHTFMTOETST-MNOVXSKESA-N 1 1 310.358 -2.034 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219387494 780089603 /nfs/dbraw/zinc/08/96/03/780089603.db2.gz FSQYANFMZYNRMZ-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](O)C1 ZINC001219394479 780089738 /nfs/dbraw/zinc/08/97/38/780089738.db2.gz FMZHLQAQTGQSAU-UTUOFQBUSA-N 1 1 312.370 -1.191 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219404091 780091393 /nfs/dbraw/zinc/09/13/93/780091393.db2.gz GAJIPWFISBNAIP-TUAOUCFPSA-N 1 1 317.386 -1.943 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411222 780092584 /nfs/dbraw/zinc/09/25/84/780092584.db2.gz ALJPIGCLAKZDMJ-WOPDTQHZSA-N 1 1 314.386 -2.386 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411222 780092586 /nfs/dbraw/zinc/09/25/86/780092586.db2.gz ALJPIGCLAKZDMJ-WOPDTQHZSA-N 1 1 314.386 -2.386 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412659 780093471 /nfs/dbraw/zinc/09/34/71/780093471.db2.gz BNPNLKDYAIIWBI-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412659 780093480 /nfs/dbraw/zinc/09/34/80/780093480.db2.gz BNPNLKDYAIIWBI-ZJUUUORDSA-N 1 1 315.374 -2.269 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219413160 780093959 /nfs/dbraw/zinc/09/39/59/780093959.db2.gz KSNDCLRVTHWTSW-AGIUHOORSA-N 1 1 313.398 -1.036 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219411763 780093990 /nfs/dbraw/zinc/09/39/90/780093990.db2.gz WTXJAVWEOKJLPN-MJBXVCDLSA-N 1 1 321.377 -1.373 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001219450047 780099347 /nfs/dbraw/zinc/09/93/47/780099347.db2.gz HSZXANGTCSORCY-TUAOUCFPSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472394 780100428 /nfs/dbraw/zinc/10/04/28/780100428.db2.gz LHBNUACQHYREDH-XQQFMLRXSA-N 1 1 317.386 -2.513 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472381 780100675 /nfs/dbraw/zinc/10/06/75/780100675.db2.gz LAEVNOANDKUYPX-MCIONIFRSA-N 1 1 315.414 -1.097 20 0 DAADMO CC(C)(C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219485440 780102174 /nfs/dbraw/zinc/10/21/74/780102174.db2.gz JPOHNYKSZHLKNG-NEPJUHHUSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)(C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219485440 780102178 /nfs/dbraw/zinc/10/21/78/780102178.db2.gz JPOHNYKSZHLKNG-NEPJUHHUSA-N 1 1 304.387 -1.028 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219495606 780104568 /nfs/dbraw/zinc/10/45/68/780104568.db2.gz JQNUZRPLPDJIRR-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219495606 780104579 /nfs/dbraw/zinc/10/45/79/780104579.db2.gz JQNUZRPLPDJIRR-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219495834 780104697 /nfs/dbraw/zinc/10/46/97/780104697.db2.gz QCNHYONMXQULOS-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219502737 780106297 /nfs/dbraw/zinc/10/62/97/780106297.db2.gz NLLDQXKUEZEADJ-TUAOUCFPSA-N 1 1 317.386 -1.929 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001219503514 780106600 /nfs/dbraw/zinc/10/66/00/780106600.db2.gz ASXHTVOMPFIMAF-XQQFMLRXSA-N 1 1 300.355 -1.498 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001219503513 780106696 /nfs/dbraw/zinc/10/66/96/780106696.db2.gz ASXHTVOMPFIMAF-UPJWGTAASA-N 1 1 300.355 -1.498 20 0 DAADMO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219505544 780106722 /nfs/dbraw/zinc/10/67/22/780106722.db2.gz BWXXNLKCYRWOPE-LOWVWBTDSA-N 1 1 312.370 -1.315 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219509771 780107407 /nfs/dbraw/zinc/10/74/07/780107407.db2.gz CMVORYXFOQPIBW-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219510554 780107567 /nfs/dbraw/zinc/10/75/67/780107567.db2.gz UXQRTLNPPSSMQO-KXUCPTDWSA-N 1 1 321.324 -1.292 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001219510554 780107572 /nfs/dbraw/zinc/10/75/72/780107572.db2.gz UXQRTLNPPSSMQO-KXUCPTDWSA-N 1 1 321.324 -1.292 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219519164 780109183 /nfs/dbraw/zinc/10/91/83/780109183.db2.gz JJDSOCMQVPOHNY-AXFHLTTASA-N 1 1 318.374 -2.133 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219519164 780109188 /nfs/dbraw/zinc/10/91/88/780109188.db2.gz JJDSOCMQVPOHNY-AXFHLTTASA-N 1 1 318.374 -2.133 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219511234 780109426 /nfs/dbraw/zinc/10/94/26/780109426.db2.gz LSXAMXZYWGDCOW-BBBLOLIVSA-N 1 1 315.326 -2.240 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219519067 780109848 /nfs/dbraw/zinc/10/98/48/780109848.db2.gz GRGLEGWBHINAEW-YIZRAAEISA-N 1 1 324.328 -1.514 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219519067 780109850 /nfs/dbraw/zinc/10/98/50/780109850.db2.gz GRGLEGWBHINAEW-YIZRAAEISA-N 1 1 324.328 -1.514 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219525089 780110672 /nfs/dbraw/zinc/11/06/72/780110672.db2.gz RJSXUICTAJHMQK-NEPJUHHUSA-N 1 1 313.358 -2.162 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCOCC1 ZINC001219530592 780112898 /nfs/dbraw/zinc/11/28/98/780112898.db2.gz DXYAFEQHJOANBZ-MCIONIFRSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCOCC1 ZINC001219530592 780112899 /nfs/dbraw/zinc/11/28/99/780112899.db2.gz DXYAFEQHJOANBZ-MCIONIFRSA-N 1 1 316.398 -1.027 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219547272 780114276 /nfs/dbraw/zinc/11/42/76/780114276.db2.gz PPQHFBNZHOMJOA-UTLUCORTSA-N 1 1 303.315 -2.735 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219547272 780114281 /nfs/dbraw/zinc/11/42/81/780114281.db2.gz PPQHFBNZHOMJOA-UTLUCORTSA-N 1 1 303.315 -2.735 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547452 780114299 /nfs/dbraw/zinc/11/42/99/780114299.db2.gz SKBGFDWSYJNVQX-MXWKQRLJSA-N 1 1 301.343 -1.317 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219549232 780115815 /nfs/dbraw/zinc/11/58/15/780115815.db2.gz PZFPSDACLJUIEH-WOPDTQHZSA-N 1 1 313.398 -1.071 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C2)C1=O ZINC001219549232 780115821 /nfs/dbraw/zinc/11/58/21/780115821.db2.gz PZFPSDACLJUIEH-WOPDTQHZSA-N 1 1 313.398 -1.071 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219554371 780116192 /nfs/dbraw/zinc/11/61/92/780116192.db2.gz LQWUPQRWMKZVNO-AGIUHOORSA-N 1 1 302.371 -1.418 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C1CC1 ZINC001219554371 780116196 /nfs/dbraw/zinc/11/61/96/780116196.db2.gz LQWUPQRWMKZVNO-AGIUHOORSA-N 1 1 302.371 -1.418 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219565268 780117084 /nfs/dbraw/zinc/11/70/84/780117084.db2.gz ZPXHJYSTJQWCNE-MBNYWOFBSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219565268 780117096 /nfs/dbraw/zinc/11/70/96/780117096.db2.gz ZPXHJYSTJQWCNE-MBNYWOFBSA-N 1 1 313.398 -1.213 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219563001 780117257 /nfs/dbraw/zinc/11/72/57/780117257.db2.gz YFWYDETXBIXOCP-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)n1 ZINC001219563228 780117418 /nfs/dbraw/zinc/11/74/18/780117418.db2.gz IYIINDRSQLOYRO-WCQGTBRESA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)n1 ZINC001219563228 780117423 /nfs/dbraw/zinc/11/74/23/780117423.db2.gz IYIINDRSQLOYRO-WCQGTBRESA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219563259 780117565 /nfs/dbraw/zinc/11/75/65/780117565.db2.gz KZUMBFCCSWOSEG-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219563259 780117569 /nfs/dbraw/zinc/11/75/69/780117569.db2.gz KZUMBFCCSWOSEG-PWSUYJOCSA-N 1 1 313.358 -1.918 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219563172 780117613 /nfs/dbraw/zinc/11/76/13/780117613.db2.gz GQWGXVFCKDIXCM-UMNHJUIQSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001219563172 780117618 /nfs/dbraw/zinc/11/76/18/780117618.db2.gz GQWGXVFCKDIXCM-UMNHJUIQSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)n1 ZINC001219563227 780117702 /nfs/dbraw/zinc/11/77/02/780117702.db2.gz IYIINDRSQLOYRO-JLLWLGSASA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)n1 ZINC001219563227 780117707 /nfs/dbraw/zinc/11/77/07/780117707.db2.gz IYIINDRSQLOYRO-JLLWLGSASA-N 1 1 313.358 -1.920 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219563023 780118102 /nfs/dbraw/zinc/11/81/02/780118102.db2.gz ZGJJOKPNNQLWBA-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219571522 780119584 /nfs/dbraw/zinc/11/95/84/780119584.db2.gz UJKXSLRFICNMIF-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219588580 780121057 /nfs/dbraw/zinc/12/10/57/780121057.db2.gz HBIAROOYNRURNJ-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219588580 780121062 /nfs/dbraw/zinc/12/10/62/780121062.db2.gz HBIAROOYNRURNJ-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000313017824 780121803 /nfs/dbraw/zinc/12/18/03/780121803.db2.gz OXQAIHHGPJTZAR-NEPJUHHUSA-N 1 1 310.416 -1.024 20 0 DAADMO COCC1(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219602879 780121931 /nfs/dbraw/zinc/12/19/31/780121931.db2.gz JMOLGMWJVMIMNU-OLZOCXBDSA-N 1 1 316.398 -1.027 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 ZINC001219611800 780124192 /nfs/dbraw/zinc/12/41/92/780124192.db2.gz KBKFGKSTAYRZFK-TUAOUCFPSA-N 1 1 314.386 -1.666 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219617937 780125274 /nfs/dbraw/zinc/12/52/74/780125274.db2.gz RPTBZQHGXKQYMM-GBIKHYSHSA-N 1 1 302.350 -2.505 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219617938 780125358 /nfs/dbraw/zinc/12/53/58/780125358.db2.gz RPTBZQHGXKQYMM-OUJBWJOFSA-N 1 1 302.350 -2.505 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219616784 780125497 /nfs/dbraw/zinc/12/54/97/780125497.db2.gz DBAHZFZHANCXKI-CYZMBNFOSA-N 1 1 300.334 -1.327 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219614976 780125623 /nfs/dbraw/zinc/12/56/23/780125623.db2.gz BBVOGTAFOVZRAM-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO O=C(CCOCC1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219615328 780125651 /nfs/dbraw/zinc/12/56/51/780125651.db2.gz NAOAXIOKRBHZQC-KGLIPLIRSA-N 1 1 316.398 -1.027 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001219617461 780125660 /nfs/dbraw/zinc/12/56/60/780125660.db2.gz SKKXHDXJMBXPNP-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219621761 780126376 /nfs/dbraw/zinc/12/63/76/780126376.db2.gz HBCLDLTZDBQIEA-SVPLCASGSA-N 1 1 301.362 -1.210 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219625536 780126522 /nfs/dbraw/zinc/12/65/22/780126522.db2.gz QRRNJQFFCBMSIU-UPJWGTAASA-N 1 1 318.370 -2.038 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219625536 780126528 /nfs/dbraw/zinc/12/65/28/780126528.db2.gz QRRNJQFFCBMSIU-UPJWGTAASA-N 1 1 318.370 -2.038 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628148 780126743 /nfs/dbraw/zinc/12/67/43/780126743.db2.gz FPFUYPMYGOMKQW-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219621763 780127043 /nfs/dbraw/zinc/12/70/43/780127043.db2.gz HBCLDLTZDBQIEA-XJBAAKRRSA-N 1 1 301.362 -1.210 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219621764 780127405 /nfs/dbraw/zinc/12/74/05/780127405.db2.gz HBCLDLTZDBQIEA-YGEZULPYSA-N 1 1 301.362 -1.210 20 0 DAADMO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621591 780127552 /nfs/dbraw/zinc/12/75/52/780127552.db2.gz DZAGFDQEPMGLDY-JYYRZZBQSA-N 1 1 318.393 -1.345 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219637801 780128064 /nfs/dbraw/zinc/12/80/64/780128064.db2.gz LYGSLDAGKIPSFK-BDAKNGLRSA-N 1 1 320.300 -1.884 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219637801 780128067 /nfs/dbraw/zinc/12/80/67/780128067.db2.gz LYGSLDAGKIPSFK-BDAKNGLRSA-N 1 1 320.300 -1.884 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219637383 780128712 /nfs/dbraw/zinc/12/87/12/780128712.db2.gz CRKZYKMAEZZXEE-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219637383 780128720 /nfs/dbraw/zinc/12/87/20/780128720.db2.gz CRKZYKMAEZZXEE-NEPJUHHUSA-N 1 1 310.358 -1.739 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219670249 780130127 /nfs/dbraw/zinc/13/01/27/780130127.db2.gz PTLKUAVVNKJSQJ-WCQGTBRESA-N 1 1 319.427 -1.115 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219674797 780130930 /nfs/dbraw/zinc/13/09/30/780130930.db2.gz BZSYEWIPGVRBSH-MXWKQRLJSA-N 1 1 303.359 -2.319 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 ZINC001219677223 780131978 /nfs/dbraw/zinc/13/19/78/780131978.db2.gz VKQCBBCEHJPLLU-WCQGTBRESA-N 1 1 311.338 -1.449 20 0 DAADMO N[C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C(F)(F)F ZINC001219678056 780132126 /nfs/dbraw/zinc/13/21/26/780132126.db2.gz APGRSJWMALVFHX-SSDOTTSWSA-N 1 1 318.321 -1.773 20 0 DAADMO Cc1occc1C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219677265 780132158 /nfs/dbraw/zinc/13/21/58/780132158.db2.gz XBFHBUFPLBLTCT-NEPJUHHUSA-N 1 1 311.338 -1.529 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678225 780132269 /nfs/dbraw/zinc/13/22/69/780132269.db2.gz HWHHMXQLIZJTFF-SECBINFHSA-N 1 1 322.387 -2.772 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678226 780132317 /nfs/dbraw/zinc/13/23/17/780132317.db2.gz HWHHMXQLIZJTFF-VIFPVBQESA-N 1 1 322.387 -2.772 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219681074 780133767 /nfs/dbraw/zinc/13/37/67/780133767.db2.gz MSMOPUVWLIWVAW-UTUOFQBUSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219681074 780133774 /nfs/dbraw/zinc/13/37/74/780133774.db2.gz MSMOPUVWLIWVAW-UTUOFQBUSA-N 1 1 317.386 -1.929 20 0 DAADMO Cn1nc(N)cc1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678558 780134014 /nfs/dbraw/zinc/13/40/14/780134014.db2.gz SRPHJFBWVWAGBO-UHFFFAOYSA-N 1 1 316.387 -2.033 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219681073 780134331 /nfs/dbraw/zinc/13/43/31/780134331.db2.gz MSMOPUVWLIWVAW-TUAOUCFPSA-N 1 1 317.386 -1.929 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219681073 780134340 /nfs/dbraw/zinc/13/43/40/780134340.db2.gz MSMOPUVWLIWVAW-TUAOUCFPSA-N 1 1 317.386 -1.929 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCCC1(O)C[NH2+]C1 ZINC001219696318 780136409 /nfs/dbraw/zinc/13/64/09/780136409.db2.gz HHUQLNUIMYJXLN-JTQLQIEISA-N 1 1 316.402 -1.914 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219686455 780136567 /nfs/dbraw/zinc/13/65/67/780136567.db2.gz NQHJJVYNBVQTKV-WCQGTBRESA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219686455 780136572 /nfs/dbraw/zinc/13/65/72/780136572.db2.gz NQHJJVYNBVQTKV-WCQGTBRESA-N 1 1 311.338 -1.449 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001219691504 780136733 /nfs/dbraw/zinc/13/67/33/780136733.db2.gz JWOIGQUISPEKME-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219721093 780137516 /nfs/dbraw/zinc/13/75/16/780137516.db2.gz ZJUJGROMFKVTDA-RWMBFGLXSA-N 1 1 306.366 -1.485 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219717200 780138033 /nfs/dbraw/zinc/13/80/33/780138033.db2.gz QOJZLGXONDRTEN-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccns2)[C@@H](O)C1 ZINC001219717200 780138038 /nfs/dbraw/zinc/13/80/38/780138038.db2.gz QOJZLGXONDRTEN-AEJSXWLSSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccncn2)[C@@H](O)C1 ZINC001219722117 780138063 /nfs/dbraw/zinc/13/80/63/780138063.db2.gz SGXNXJAJMNIBOR-MCIONIFRSA-N 1 1 324.381 -1.422 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219733557 780138836 /nfs/dbraw/zinc/13/88/36/780138836.db2.gz UCYWXFFGBDKJQH-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219733135 780138930 /nfs/dbraw/zinc/13/89/30/780138930.db2.gz AIKRHNPHQAQLRM-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735131 780138946 /nfs/dbraw/zinc/13/89/46/780138946.db2.gz WOAYFHQFSQENLY-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736106 780139057 /nfs/dbraw/zinc/13/90/57/780139057.db2.gz GGMXLGMLFPVSSD-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734900 780139234 /nfs/dbraw/zinc/13/92/34/780139234.db2.gz JIQMBSGCOZJMSN-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736571 780139253 /nfs/dbraw/zinc/13/92/53/780139253.db2.gz WCAIKQUFXZQKNG-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO CS(=O)(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219734933 780139782 /nfs/dbraw/zinc/13/97/82/780139782.db2.gz KYWLJCMQSLRYMB-NEPJUHHUSA-N 1 1 319.427 -1.113 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735174 780139962 /nfs/dbraw/zinc/13/99/62/780139962.db2.gz YBJUCGDCIITCMX-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219748779 780141025 /nfs/dbraw/zinc/14/10/25/780141025.db2.gz BRNFHTGWCVLWEC-AWEZNQCLSA-N 1 1 319.369 -1.104 20 0 DAADMO O=C(CCNC(=O)c1ccncc1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219738614 780141133 /nfs/dbraw/zinc/14/11/33/780141133.db2.gz OUXAMNISOFKFHU-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219744397 780141457 /nfs/dbraw/zinc/14/14/57/780141457.db2.gz DAFJRZYCAFSKFF-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219741020 780141500 /nfs/dbraw/zinc/14/15/00/780141500.db2.gz WLIJYOJXVZIXBK-MXWKQRLJSA-N 1 1 303.359 -2.367 20 0 DAADMO O=C(CCn1ccccc1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219744892 780141829 /nfs/dbraw/zinc/14/18/29/780141829.db2.gz VGUOTEYEQLHSES-OLZOCXBDSA-N 1 1 309.366 -1.218 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219750200 780142431 /nfs/dbraw/zinc/14/24/31/780142431.db2.gz XGVRGOXWXTWTKX-HZMBPMFUSA-N 1 1 305.386 -1.661 20 0 DAADMO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219750249 780142585 /nfs/dbraw/zinc/14/25/85/780142585.db2.gz ZAZRBWMATOBCFK-GHMZBOCLSA-N 1 1 322.369 -1.461 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219751972 780142639 /nfs/dbraw/zinc/14/26/39/780142639.db2.gz JUKGZMGKJABXFB-ZJUUUORDSA-N 1 1 304.347 -2.914 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219751972 780142644 /nfs/dbraw/zinc/14/26/44/780142644.db2.gz JUKGZMGKJABXFB-ZJUUUORDSA-N 1 1 304.347 -2.914 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219752205 780142663 /nfs/dbraw/zinc/14/26/63/780142663.db2.gz VIGFRDDQWCXSNZ-MNOVXSKESA-N 1 1 302.375 -1.498 20 0 DAADMO NC(=O)CC[C@H]([NH3+])CC(=O)NCc1nnc2n1CCCNC2 ZINC001219749391 780142791 /nfs/dbraw/zinc/14/27/91/780142791.db2.gz MHGOCMQDKYOXLF-VIFPVBQESA-N 1 1 309.374 -1.630 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219754100 780142946 /nfs/dbraw/zinc/14/29/46/780142946.db2.gz PXSMADRGUVXSEJ-MNOVXSKESA-N 1 1 310.358 -2.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001219751740 780143076 /nfs/dbraw/zinc/14/30/76/780143076.db2.gz BQJJAENJVMFTAP-AXFHLTTASA-N 1 1 300.359 -1.887 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219753767 780143154 /nfs/dbraw/zinc/14/31/54/780143154.db2.gz JQSDQIDFTFXLOU-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219753767 780143158 /nfs/dbraw/zinc/14/31/58/780143158.db2.gz JQSDQIDFTFXLOU-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO O=C(NCc1nnc2n1CCCNC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219749152 780143234 /nfs/dbraw/zinc/14/32/34/780143234.db2.gz ILYPJSIKNXEIBY-SNVBAGLBSA-N 1 1 306.370 -1.091 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001219751854 780143271 /nfs/dbraw/zinc/14/32/71/780143271.db2.gz GHESPMPYTCSCHD-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765793 780144409 /nfs/dbraw/zinc/14/44/09/780144409.db2.gz BTVOVRCWGKOBQM-YOVYLDAJSA-N 1 1 324.425 -1.472 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765793 780144412 /nfs/dbraw/zinc/14/44/12/780144412.db2.gz BTVOVRCWGKOBQM-YOVYLDAJSA-N 1 1 324.425 -1.472 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)CCOCC1 ZINC001219765682 780145004 /nfs/dbraw/zinc/14/50/04/780145004.db2.gz WKABHTPLOAUWRJ-XQQFMLRXSA-N 1 1 316.398 -1.028 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219774396 780145737 /nfs/dbraw/zinc/14/57/37/780145737.db2.gz LJSOJVOBQKULHQ-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1c[nH]cn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219774396 780145742 /nfs/dbraw/zinc/14/57/42/780145742.db2.gz LJSOJVOBQKULHQ-OLZOCXBDSA-N 1 1 319.369 -1.205 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219774583 780147107 /nfs/dbraw/zinc/14/71/07/780147107.db2.gz UJNLRXMQONENDB-UPJWGTAASA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774583 780147108 /nfs/dbraw/zinc/14/71/08/780147108.db2.gz UJNLRXMQONENDB-UPJWGTAASA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774583 780147110 /nfs/dbraw/zinc/14/71/10/780147110.db2.gz UJNLRXMQONENDB-UPJWGTAASA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219792432 780148337 /nfs/dbraw/zinc/14/83/37/780148337.db2.gz KFGMNWWRRBYVKJ-TUAOUCFPSA-N 1 1 315.370 -2.317 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001219800301 780148351 /nfs/dbraw/zinc/14/83/51/780148351.db2.gz KZHYAQLAJWJSQW-UTUOFQBUSA-N 1 1 324.385 -2.540 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CN(CCF)C[C@@H]1O ZINC001219800530 780148523 /nfs/dbraw/zinc/14/85/23/780148523.db2.gz PYPIMQWBTFJIGD-AGIUHOORSA-N 1 1 313.377 -1.056 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805966 780149717 /nfs/dbraw/zinc/14/97/17/780149717.db2.gz GYZRBFOPPFSYPL-LBPRGKRZSA-N 1 1 323.353 -1.757 20 0 DAADMO NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219809959 780150311 /nfs/dbraw/zinc/15/03/11/780150311.db2.gz XHIPKFXAICGMFN-VIFPVBQESA-N 1 1 310.358 -1.288 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805962 780150656 /nfs/dbraw/zinc/15/06/56/780150656.db2.gz GYZRBFOPPFSYPL-GFCCVEGCSA-N 1 1 323.353 -1.757 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822766 780151040 /nfs/dbraw/zinc/15/10/40/780151040.db2.gz VPWRSUAUZAJURD-OLZOCXBDSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814021 780151239 /nfs/dbraw/zinc/15/12/39/780151239.db2.gz OQPRZJBLWRVCOP-UHTWSYAYSA-N 1 1 312.414 -1.234 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816058 780151404 /nfs/dbraw/zinc/15/14/04/780151404.db2.gz WUVYOCYZMYJLOO-AGIUHOORSA-N 1 1 312.414 -1.104 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](O)C1 ZINC001219821455 780151604 /nfs/dbraw/zinc/15/16/04/780151604.db2.gz MIJJAQIEMKQWPT-WZRBSPASSA-N 1 1 324.381 -1.389 20 0 DAADMO CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814020 780151926 /nfs/dbraw/zinc/15/19/26/780151926.db2.gz OQPRZJBLWRVCOP-RTXFEEFZSA-N 1 1 312.414 -1.234 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219822398 780152478 /nfs/dbraw/zinc/15/24/78/780152478.db2.gz LIXYJJKLSUWPSZ-RNJOBUHISA-N 1 1 318.370 -2.040 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219822398 780152484 /nfs/dbraw/zinc/15/24/84/780152484.db2.gz LIXYJJKLSUWPSZ-RNJOBUHISA-N 1 1 318.370 -2.040 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219826739 780153385 /nfs/dbraw/zinc/15/33/85/780153385.db2.gz UVSNAPFFPFHVKC-UJNFCWOMSA-N 1 1 312.395 -1.167 20 0 DAADMO N[C@@H](Cn1cccn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834875 780153885 /nfs/dbraw/zinc/15/38/85/780153885.db2.gz TWASEUZVEXISIN-KCQAQPDRSA-N 1 1 323.397 -1.278 20 0 DAADMO NCC(=O)NCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835090 780153903 /nfs/dbraw/zinc/15/39/03/780153903.db2.gz WLMAZDARBZRGAZ-MFKMUULPSA-N 1 1 300.359 -2.427 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)ncn2C)[C@@H](O)C1 ZINC001219841706 780154632 /nfs/dbraw/zinc/15/46/32/780154632.db2.gz WMHUCMZNJMJBCK-TUAOUCFPSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001219845968 780155941 /nfs/dbraw/zinc/15/59/41/780155941.db2.gz XPTXTHYFABCHRF-MNOVXSKESA-N 1 1 312.326 -2.034 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)[C@@H](O)C1 ZINC001219848731 780156460 /nfs/dbraw/zinc/15/64/60/780156460.db2.gz SCCFZDVWVXFNMQ-AEJSXWLSSA-N 1 1 314.342 -1.794 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219846973 780156710 /nfs/dbraw/zinc/15/67/10/780156710.db2.gz MHTULSXDYYRCEU-NEPJUHHUSA-N 1 1 323.397 -1.365 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001219858685 780157502 /nfs/dbraw/zinc/15/75/02/780157502.db2.gz YQBXYDLJNXVGRN-GDPRMGEGSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccsn2)[C@@H](O)C1 ZINC001219858685 780157506 /nfs/dbraw/zinc/15/75/06/780157506.db2.gz YQBXYDLJNXVGRN-GDPRMGEGSA-N 1 1 301.368 -1.075 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](O)C1 ZINC001219864603 780159519 /nfs/dbraw/zinc/15/95/19/780159519.db2.gz VSSJIJGEKOHEBD-RTXFEEFZSA-N 1 1 312.370 -1.521 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001219875180 780159558 /nfs/dbraw/zinc/15/95/58/780159558.db2.gz RDGSAXKRDXQRSG-LPWJVIDDSA-N 1 1 303.403 -1.505 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O)[NH+](C)C ZINC001219875179 780159636 /nfs/dbraw/zinc/15/96/36/780159636.db2.gz RDGSAXKRDXQRSG-LOWDOPEQSA-N 1 1 303.403 -1.505 20 0 DAADMO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219891364 780160296 /nfs/dbraw/zinc/16/02/96/780160296.db2.gz SOJIZEKWSURAAM-WHOFXGATSA-N 1 1 309.414 -1.526 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219893870 780160258 /nfs/dbraw/zinc/16/02/58/780160258.db2.gz PAOQYDGNBPXGTM-MNOVXSKESA-N 1 1 316.358 -3.218 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219894122 780160391 /nfs/dbraw/zinc/16/03/91/780160391.db2.gz VRPSVEOUASSUFS-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001219891362 780160538 /nfs/dbraw/zinc/16/05/38/780160538.db2.gz SOJIZEKWSURAAM-LNSITVRQSA-N 1 1 309.414 -1.526 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219896640 780161008 /nfs/dbraw/zinc/16/10/08/780161008.db2.gz BDJUGQNANJVRDT-IEBDPFPHSA-N 1 1 316.358 -3.219 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001219915558 780161910 /nfs/dbraw/zinc/16/19/10/780161910.db2.gz OLGRTQSJROWKLI-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926066 780162097 /nfs/dbraw/zinc/16/20/97/780162097.db2.gz JVLPRRDMWXVQIW-YIZRAAEISA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219926066 780162100 /nfs/dbraw/zinc/16/21/00/780162100.db2.gz JVLPRRDMWXVQIW-YIZRAAEISA-N 1 1 309.313 -1.436 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219920002 780162389 /nfs/dbraw/zinc/16/23/89/780162389.db2.gz WZZSCBQTFBDGRS-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923917 780162928 /nfs/dbraw/zinc/16/29/28/780162928.db2.gz HKKIDNFAFMXWHT-YIZRAAEISA-N 1 1 309.313 -1.436 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923917 780162934 /nfs/dbraw/zinc/16/29/34/780162934.db2.gz HKKIDNFAFMXWHT-YIZRAAEISA-N 1 1 309.313 -1.436 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219939368 780164215 /nfs/dbraw/zinc/16/42/15/780164215.db2.gz CCORTGXCVHSUAB-OLZOCXBDSA-N 1 1 324.381 -1.033 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@@H](O)C1 ZINC001219941565 780165887 /nfs/dbraw/zinc/16/58/87/780165887.db2.gz FARHZCXZWSRLHG-NEPJUHHUSA-N 1 1 300.403 -1.376 20 0 DAADMO CNS(=O)(=O)CCNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001219961492 780167649 /nfs/dbraw/zinc/16/76/49/780167649.db2.gz MZPNTLHBQXTMBB-LLVKDONJSA-N 1 1 300.384 -1.076 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969479 780168085 /nfs/dbraw/zinc/16/80/85/780168085.db2.gz BIAZAGFQERVWSZ-PWSUYJOCSA-N 1 1 310.402 -1.635 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CC2)[C@@H](O)C1 ZINC001220004266 780168605 /nfs/dbraw/zinc/16/86/05/780168605.db2.gz JVFSTSAYUBTUBF-TUAOUCFPSA-N 1 1 302.371 -1.418 20 0 DAADMO NC(=O)c1ccc(CCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001220000806 780169290 /nfs/dbraw/zinc/16/92/90/780169290.db2.gz UMIDQSORAVGFLN-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219980507 780169528 /nfs/dbraw/zinc/16/95/28/780169528.db2.gz JLFVRMJGLKUZPG-TUAOUCFPSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980507 780169531 /nfs/dbraw/zinc/16/95/31/780169531.db2.gz JLFVRMJGLKUZPG-TUAOUCFPSA-N 1 1 300.403 -1.341 20 0 DAADMO CCN(C)C(=O)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011549 780169978 /nfs/dbraw/zinc/16/99/78/780169978.db2.gz XCXDRRBDSFWUDM-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220006532 780170206 /nfs/dbraw/zinc/17/02/06/780170206.db2.gz YTAUGBYKLMPXAT-NEPJUHHUSA-N 1 1 302.371 -1.417 20 0 DAADMO COCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220006532 780170215 /nfs/dbraw/zinc/17/02/15/780170215.db2.gz YTAUGBYKLMPXAT-NEPJUHHUSA-N 1 1 302.371 -1.417 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)COC)[C@@H](O)C1 ZINC001220006332 780170501 /nfs/dbraw/zinc/17/05/01/780170501.db2.gz VAEMLVCMVKZVMP-TUAOUCFPSA-N 1 1 304.387 -1.172 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](O)C1 ZINC001220012886 780170799 /nfs/dbraw/zinc/17/07/99/780170799.db2.gz SGLPKAPVJJCXGK-XQQFMLRXSA-N 1 1 313.354 -1.224 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220037405 780171726 /nfs/dbraw/zinc/17/17/26/780171726.db2.gz XMUNAQMRVFOYGW-PWSUYJOCSA-N 1 1 310.354 -1.408 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001220040671 780172062 /nfs/dbraw/zinc/17/20/62/780172062.db2.gz ACGWKILMWYKDRB-WYUUTHIRSA-N 1 1 315.370 -2.047 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001220041073 780173031 /nfs/dbraw/zinc/17/30/31/780173031.db2.gz WPIQNPWKRQULDW-LOWVWBTDSA-N 1 1 324.381 -1.284 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066505 780174600 /nfs/dbraw/zinc/17/46/00/780174600.db2.gz JUAGHPIXXREHSY-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220076178 780174984 /nfs/dbraw/zinc/17/49/84/780174984.db2.gz SIBPLIPFQCTSJW-MNOVXSKESA-N 1 1 320.415 -1.998 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1=O ZINC001220066745 780175606 /nfs/dbraw/zinc/17/56/06/780175606.db2.gz XEYMYNZJZQWZNS-NEPJUHHUSA-N 1 1 309.370 -1.457 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220073977 780175704 /nfs/dbraw/zinc/17/57/04/780175704.db2.gz SAWZXKCZCSFXAV-BDAKNGLRSA-N 1 1 310.376 -3.152 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)co1 ZINC001220078178 780177089 /nfs/dbraw/zinc/17/70/89/780177089.db2.gz JHDWYYGOIQXRAV-KOLCDFICSA-N 1 1 315.326 -1.533 20 0 DAADMO COc1nc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)co1 ZINC001220078178 780177094 /nfs/dbraw/zinc/17/70/94/780177094.db2.gz JHDWYYGOIQXRAV-KOLCDFICSA-N 1 1 315.326 -1.533 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220112707 780179456 /nfs/dbraw/zinc/17/94/56/780179456.db2.gz XEXXIBSFFCJJRA-AXFHLTTASA-N 1 1 301.387 -1.309 20 0 DAADMO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220112707 780179465 /nfs/dbraw/zinc/17/94/65/780179465.db2.gz XEXXIBSFFCJJRA-AXFHLTTASA-N 1 1 301.387 -1.309 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001220121918 780181193 /nfs/dbraw/zinc/18/11/93/780181193.db2.gz GOQCZGROHZOOFE-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220132720 780181596 /nfs/dbraw/zinc/18/15/96/780181596.db2.gz QZQPKOWZLSHQKB-XQQFMLRXSA-N 1 1 313.398 -1.044 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220130106 780181761 /nfs/dbraw/zinc/18/17/61/780181761.db2.gz NDUDOMRCHONTTL-AXFHLTTASA-N 1 1 301.343 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220130106 780181764 /nfs/dbraw/zinc/18/17/64/780181764.db2.gz NDUDOMRCHONTTL-AXFHLTTASA-N 1 1 301.343 -2.707 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131947 780181827 /nfs/dbraw/zinc/18/18/27/780181827.db2.gz BFPXKMDGZFTKFU-UTUOFQBUSA-N 1 1 315.370 -2.053 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220131947 780181831 /nfs/dbraw/zinc/18/18/31/780181831.db2.gz BFPXKMDGZFTKFU-UTUOFQBUSA-N 1 1 315.370 -2.053 20 0 DAADMO O=C(CCCn1ccccc1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220132692 780181917 /nfs/dbraw/zinc/18/19/17/780181917.db2.gz QEYASMFQCGUHKP-OLZOCXBDSA-N 1 1 309.366 -1.218 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220132909 780182963 /nfs/dbraw/zinc/18/29/63/780182963.db2.gz YDAHYCBBIWUETJ-AEJSXWLSSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CCNC1=O ZINC001220132909 780182969 /nfs/dbraw/zinc/18/29/69/780182969.db2.gz YDAHYCBBIWUETJ-AEJSXWLSSA-N 1 1 321.324 -1.435 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220151458 780185835 /nfs/dbraw/zinc/18/58/35/780185835.db2.gz SRWLLPRYIIDWJB-WOPDTQHZSA-N 1 1 315.370 -2.223 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220151458 780185843 /nfs/dbraw/zinc/18/58/43/780185843.db2.gz SRWLLPRYIIDWJB-WOPDTQHZSA-N 1 1 315.370 -2.223 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220155902 780185960 /nfs/dbraw/zinc/18/59/60/780185960.db2.gz ADVUQWKWYZKYMH-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO O=C(CCCF)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220155902 780185970 /nfs/dbraw/zinc/18/59/70/780185970.db2.gz ADVUQWKWYZKYMH-MNOVXSKESA-N 1 1 302.350 -1.077 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159238 780185996 /nfs/dbraw/zinc/18/59/96/780185996.db2.gz FODDUIXBTBUFFU-MNOVXSKESA-N 1 1 312.374 -1.342 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001220159238 780186007 /nfs/dbraw/zinc/18/60/07/780186007.db2.gz FODDUIXBTBUFFU-MNOVXSKESA-N 1 1 312.374 -1.342 20 0 DAADMO CS(=O)(=O)N1CC(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220145512 780186606 /nfs/dbraw/zinc/18/66/06/780186606.db2.gz FQJSECQSUCXRIP-NSHDSACASA-N 1 1 319.431 -2.503 20 0 DAADMO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1)C1CC1 ZINC001220159302 780186909 /nfs/dbraw/zinc/18/69/09/780186909.db2.gz HSLNMFSJRVYBNB-WOPDTQHZSA-N 1 1 324.385 -1.200 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001220166444 780188483 /nfs/dbraw/zinc/18/84/83/780188483.db2.gz YFLMENUFPFCJKZ-MQYQWHSLSA-N 1 1 315.414 -1.361 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001220211996 780190726 /nfs/dbraw/zinc/19/07/26/780190726.db2.gz WRWZNUGWJBREDD-YUTCNCBUSA-N 1 1 324.381 -1.250 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cncnc1 ZINC001220211996 780190731 /nfs/dbraw/zinc/19/07/31/780190731.db2.gz WRWZNUGWJBREDD-YUTCNCBUSA-N 1 1 324.381 -1.250 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](O)C1 ZINC001220213415 780190791 /nfs/dbraw/zinc/19/07/91/780190791.db2.gz OZVJLPHECDGVSW-DYEKYZERSA-N 1 1 320.361 -1.061 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCOC2)[C@@H](O)C1 ZINC001220213415 780190796 /nfs/dbraw/zinc/19/07/96/780190796.db2.gz OZVJLPHECDGVSW-DYEKYZERSA-N 1 1 320.361 -1.061 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220236910 780192118 /nfs/dbraw/zinc/19/21/18/780192118.db2.gz JXKGPOASGNNOLZ-HLTSFMKQSA-N 1 1 322.312 -1.889 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220236910 780192126 /nfs/dbraw/zinc/19/21/26/780192126.db2.gz JXKGPOASGNNOLZ-HLTSFMKQSA-N 1 1 322.312 -1.889 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237118 780192190 /nfs/dbraw/zinc/19/21/90/780192190.db2.gz NVZUSIVLKGGVEV-AXFHLTTASA-N 1 1 300.359 -1.746 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](O)C1 ZINC001220227657 780192421 /nfs/dbraw/zinc/19/24/21/780192421.db2.gz ZSDALIBGYNTBAV-RTXFEEFZSA-N 1 1 312.370 -1.005 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230994 780192982 /nfs/dbraw/zinc/19/29/82/780192982.db2.gz WKXIHFHAROKKCD-XQQFMLRXSA-N 1 1 315.414 -1.503 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220237451 780194032 /nfs/dbraw/zinc/19/40/32/780194032.db2.gz WXUCGZAPFDPGKW-BBBLOLIVSA-N 1 1 302.331 -3.162 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001220237451 780194037 /nfs/dbraw/zinc/19/40/37/780194037.db2.gz WXUCGZAPFDPGKW-BBBLOLIVSA-N 1 1 302.331 -3.162 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220244069 780194937 /nfs/dbraw/zinc/19/49/37/780194937.db2.gz XVTSBZQZHTWGPG-AXFHLTTASA-N 1 1 301.343 -2.171 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1nnc[nH]1 ZINC001220249952 780195012 /nfs/dbraw/zinc/19/50/12/780195012.db2.gz ILMORDCTHKVWKP-IUCAKERBSA-N 1 1 323.357 -2.125 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249484 780195042 /nfs/dbraw/zinc/19/50/42/780195042.db2.gz LHHXVDJGPSVVTI-MNOVXSKESA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249638 780195302 /nfs/dbraw/zinc/19/53/02/780195302.db2.gz TYBGLVJYXUEDSS-BBBLOLIVSA-N 1 1 309.388 -2.403 20 0 DAADMO CN(CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(=O)c1ccccc1 ZINC001220262895 780196798 /nfs/dbraw/zinc/19/67/98/780196798.db2.gz KCVZKIJLIYQGMT-KGLIPLIRSA-N 1 1 321.377 -1.088 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220256547 780197415 /nfs/dbraw/zinc/19/74/15/780197415.db2.gz WPBURRRAYWMIEJ-TUAOUCFPSA-N 1 1 311.382 -1.018 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256180 780197485 /nfs/dbraw/zinc/19/74/85/780197485.db2.gz FOBSICXQMHGAJI-MNOVXSKESA-N 1 1 315.370 -1.924 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256180 780197488 /nfs/dbraw/zinc/19/74/88/780197488.db2.gz FOBSICXQMHGAJI-MNOVXSKESA-N 1 1 315.370 -1.924 20 0 DAADMO Cn1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220271579 780198720 /nfs/dbraw/zinc/19/87/20/780198720.db2.gz AYHUVYOSEZUNRL-KGLIPLIRSA-N 1 1 322.409 -1.002 20 0 DAADMO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290784 780200236 /nfs/dbraw/zinc/20/02/36/780200236.db2.gz DRUFQPOLGPBJMK-NDMJEZRESA-N 1 1 311.386 -1.081 20 0 DAADMO Cc1cc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)n(N)c(=O)c1 ZINC001220323066 780202630 /nfs/dbraw/zinc/20/26/30/780202630.db2.gz CBIVHODLOCHIGO-LLVKDONJSA-N 1 1 308.386 -1.441 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](O)C1 ZINC001220318313 780202853 /nfs/dbraw/zinc/20/28/53/780202853.db2.gz NHUKJVMMRDZYAO-FRRDWIJNSA-N 1 1 320.386 -1.528 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](COC)OC)[C@@H](O)C1 ZINC001220318313 780202858 /nfs/dbraw/zinc/20/28/58/780202858.db2.gz NHUKJVMMRDZYAO-FRRDWIJNSA-N 1 1 320.386 -1.528 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220352004 780204188 /nfs/dbraw/zinc/20/41/88/780204188.db2.gz PXKKZWCRKWIZEB-MJBXVCDLSA-N 1 1 315.414 -1.359 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220339489 780205342 /nfs/dbraw/zinc/20/53/42/780205342.db2.gz ADAFOZDWAUGAFW-MNOVXSKESA-N 1 1 314.361 -1.077 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C1(CF)CC1 ZINC001220339489 780205349 /nfs/dbraw/zinc/20/53/49/780205349.db2.gz ADAFOZDWAUGAFW-MNOVXSKESA-N 1 1 314.361 -1.077 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC001220357213 780205391 /nfs/dbraw/zinc/20/53/91/780205391.db2.gz DHDZGLLEGSBELO-LOWDOPEQSA-N 1 1 313.398 -1.092 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](O)C1 ZINC001220371340 780206013 /nfs/dbraw/zinc/20/60/13/780206013.db2.gz ICGZLUWUSIAGIC-UTUOFQBUSA-N 1 1 312.370 -1.191 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001220374195 780206283 /nfs/dbraw/zinc/20/62/83/780206283.db2.gz WWFPLWZZMVSKBR-BNOWGMLFSA-N 1 1 323.397 -1.055 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220374219 780206779 /nfs/dbraw/zinc/20/67/79/780206779.db2.gz XQTXIZGAPMWPGK-RTXFEEFZSA-N 1 1 311.386 -1.056 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001220363956 780207188 /nfs/dbraw/zinc/20/71/88/780207188.db2.gz XQOUVJYAMPOWTQ-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220401576 780209884 /nfs/dbraw/zinc/20/98/84/780209884.db2.gz GOPYOXZDRPBOMH-MCIONIFRSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220401576 780209891 /nfs/dbraw/zinc/20/98/91/780209891.db2.gz GOPYOXZDRPBOMH-MCIONIFRSA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220402079 780210392 /nfs/dbraw/zinc/21/03/92/780210392.db2.gz WUDKYOHDDBVHAG-UPJWGTAASA-N 1 1 324.385 -1.646 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220402079 780210396 /nfs/dbraw/zinc/21/03/96/780210396.db2.gz WUDKYOHDDBVHAG-UPJWGTAASA-N 1 1 324.385 -1.646 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220402080 780210754 /nfs/dbraw/zinc/21/07/54/780210754.db2.gz WUDKYOHDDBVHAG-XQQFMLRXSA-N 1 1 324.385 -1.646 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220402080 780210761 /nfs/dbraw/zinc/21/07/61/780210761.db2.gz WUDKYOHDDBVHAG-XQQFMLRXSA-N 1 1 324.385 -1.646 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220391826 780211094 /nfs/dbraw/zinc/21/10/94/780211094.db2.gz QOISMWJUXPADKJ-RTXFEEFZSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220391826 780211098 /nfs/dbraw/zinc/21/10/98/780211098.db2.gz QOISMWJUXPADKJ-RTXFEEFZSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220391826 780211103 /nfs/dbraw/zinc/21/11/03/780211103.db2.gz QOISMWJUXPADKJ-RTXFEEFZSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220391826 780211111 /nfs/dbraw/zinc/21/11/11/780211111.db2.gz QOISMWJUXPADKJ-RTXFEEFZSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220391826 780211118 /nfs/dbraw/zinc/21/11/18/780211118.db2.gz QOISMWJUXPADKJ-RTXFEEFZSA-N 1 1 309.370 -1.065 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220427801 780211639 /nfs/dbraw/zinc/21/16/39/780211639.db2.gz OQEWYVFEORICRM-BBBLOLIVSA-N 1 1 311.379 -1.555 20 0 DAADMO O=C(NCc1ccc2[nH]nnc2c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220426498 780211992 /nfs/dbraw/zinc/21/19/92/780211992.db2.gz ICGYDGNYXTYMBV-LBPRGKRZSA-N 1 1 302.338 -1.096 20 0 DAADMO O=C(NCc1ccc2nn[nH]c2c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220426498 780212000 /nfs/dbraw/zinc/21/20/00/780212000.db2.gz ICGYDGNYXTYMBV-LBPRGKRZSA-N 1 1 302.338 -1.096 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427432 780212764 /nfs/dbraw/zinc/21/27/64/780212764.db2.gz HBZMAEBRJIUMRD-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428002 780213085 /nfs/dbraw/zinc/21/30/85/780213085.db2.gz RQQVJSZYHFOPDS-AXFHLTTASA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220428696 780213591 /nfs/dbraw/zinc/21/35/91/780213591.db2.gz CMBCFOSVXIJZCG-VXGBXAGGSA-N 1 1 320.397 -1.366 20 0 DAADMO O=C(NC[C@@H]1COCCN1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220431583 780213889 /nfs/dbraw/zinc/21/38/89/780213889.db2.gz KJNZNGRQPZDWLL-LLVKDONJSA-N 1 1 306.370 -1.396 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428399 780214056 /nfs/dbraw/zinc/21/40/56/780214056.db2.gz ZAPSSWHWQDEACZ-BBBLOLIVSA-N 1 1 309.388 -2.268 20 0 DAADMO O=C(NC[C@H]1COCCN1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220431584 780214174 /nfs/dbraw/zinc/21/41/74/780214174.db2.gz KJNZNGRQPZDWLL-NSHDSACASA-N 1 1 306.370 -1.396 20 0 DAADMO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1 ZINC001220428891 780214560 /nfs/dbraw/zinc/21/45/60/780214560.db2.gz HDEOHQZOIYEQCH-TUAOUCFPSA-N 1 1 300.403 -1.031 20 0 DAADMO O=C(NC[C@H]1COCCN1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220429434 780214602 /nfs/dbraw/zinc/21/46/02/780214602.db2.gz RMGIQPLFBSFUTM-QWRGUYRKSA-N 1 1 321.385 -1.971 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220468107 780216203 /nfs/dbraw/zinc/21/62/03/780216203.db2.gz UFZZITWKRXTNOU-MXWKQRLJSA-N 1 1 316.402 -1.374 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)COC[C@H]2CCOC2)[C@@H](O)C1 ZINC001220450002 780216532 /nfs/dbraw/zinc/21/65/32/780216532.db2.gz FHELHZHMJAQZNZ-XQQFMLRXSA-N 1 1 302.371 -1.153 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220468106 780216724 /nfs/dbraw/zinc/21/67/24/780216724.db2.gz UFZZITWKRXTNOU-AXFHLTTASA-N 1 1 316.402 -1.374 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)C(N)=O ZINC001220494780 780217395 /nfs/dbraw/zinc/21/73/95/780217395.db2.gz ISTJOFFHJDVVOB-TUAOUCFPSA-N 1 1 312.370 -2.062 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C(N)=O ZINC001220495489 780218380 /nfs/dbraw/zinc/21/83/80/780218380.db2.gz XZJZFIHJJIWPCC-AEJSXWLSSA-N 1 1 302.331 -3.480 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H](O)C1 ZINC001220494764 780218397 /nfs/dbraw/zinc/21/83/97/780218397.db2.gz HZKUCKFFPVVIIJ-TUAOUCFPSA-N 1 1 314.386 -1.672 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220508266 780219125 /nfs/dbraw/zinc/21/91/25/780219125.db2.gz FMQRUMXLHJRQNS-VWYCJHECSA-N 1 1 312.370 -2.095 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220508266 780219129 /nfs/dbraw/zinc/21/91/29/780219129.db2.gz FMQRUMXLHJRQNS-VWYCJHECSA-N 1 1 312.370 -2.095 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@@H](O)C1 ZINC001220504723 780219273 /nfs/dbraw/zinc/21/92/73/780219273.db2.gz PEKUJEBZTYYGEH-MDZLAQPJSA-N 1 1 301.387 -1.045 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518517 780221255 /nfs/dbraw/zinc/22/12/55/780221255.db2.gz GAFLGBHPWVHPNP-XQQFMLRXSA-N 1 1 312.370 -1.489 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001220518516 780221271 /nfs/dbraw/zinc/22/12/71/780221271.db2.gz GAFLGBHPWVHPNP-UPJWGTAASA-N 1 1 312.370 -1.489 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)CC1 ZINC001220544731 780224503 /nfs/dbraw/zinc/22/45/03/780224503.db2.gz XTPXDOXLJBLUFI-AXFHLTTASA-N 1 1 315.370 -2.319 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220530529 780224550 /nfs/dbraw/zinc/22/45/50/780224550.db2.gz WGBTXUXYQVJHSU-JLLWLGSASA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)CCCC1 ZINC001220536440 780225290 /nfs/dbraw/zinc/22/52/90/780225290.db2.gz DEYQYYRNHOFQFC-RTXFEEFZSA-N 1 1 313.398 -1.023 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553635 780226416 /nfs/dbraw/zinc/22/64/16/780226416.db2.gz NVIRLZCNDHNBIV-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553590 780226800 /nfs/dbraw/zinc/22/68/00/780226800.db2.gz MBIBJAZXZNLHCZ-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571707 780228926 /nfs/dbraw/zinc/22/89/26/780228926.db2.gz XNCVOAWZKPQEEW-IRCOFANPSA-N 1 1 311.382 -1.434 20 0 DAADMO COC(=O)CNC(=O)CNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220574885 780229276 /nfs/dbraw/zinc/22/92/76/780229276.db2.gz DDSLYRXHVJFUSU-NSHDSACASA-N 1 1 308.338 -1.336 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001220564934 780229337 /nfs/dbraw/zinc/22/93/37/780229337.db2.gz IUDPHLKTFYFVLW-MNOVXSKESA-N 1 1 310.354 -1.502 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](O)C1 ZINC001220592265 780232220 /nfs/dbraw/zinc/23/22/20/780232220.db2.gz YEQLLWVMLKEZAH-UPJWGTAASA-N 1 1 324.381 -1.422 20 0 DAADMO CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)CN ZINC001220583731 780232296 /nfs/dbraw/zinc/23/22/96/780232296.db2.gz WKEKBEDXCOSLSG-NSHDSACASA-N 1 1 316.402 -1.174 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001220589822 780232400 /nfs/dbraw/zinc/23/24/00/780232400.db2.gz HKZOMIGFALBLEJ-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC001220589822 780232406 /nfs/dbraw/zinc/23/24/06/780232406.db2.gz HKZOMIGFALBLEJ-OLZOCXBDSA-N 1 1 310.354 -1.086 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001220588939 780232839 /nfs/dbraw/zinc/23/28/39/780232839.db2.gz NEQNVZUIWBVCPA-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001220588939 780232845 /nfs/dbraw/zinc/23/28/45/780232845.db2.gz NEQNVZUIWBVCPA-MNOVXSKESA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220601520 780234047 /nfs/dbraw/zinc/23/40/47/780234047.db2.gz GBYGNGHMJIHHDE-XQQFMLRXSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220606178 780234425 /nfs/dbraw/zinc/23/44/25/780234425.db2.gz IWJAOTRBFRPJPZ-MNOVXSKESA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220606178 780234428 /nfs/dbraw/zinc/23/44/28/780234428.db2.gz IWJAOTRBFRPJPZ-MNOVXSKESA-N 1 1 321.345 -2.484 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635203 780235295 /nfs/dbraw/zinc/23/52/95/780235295.db2.gz NTSCWCYXYIFLFN-PRJMDXOYSA-N 1 1 313.276 -1.793 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220635203 780235299 /nfs/dbraw/zinc/23/52/99/780235299.db2.gz NTSCWCYXYIFLFN-PRJMDXOYSA-N 1 1 313.276 -1.793 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635192 780235956 /nfs/dbraw/zinc/23/59/56/780235956.db2.gz NDZLZSHAJMWZAC-TUAOUCFPSA-N 1 1 315.370 -2.319 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001220635192 780235958 /nfs/dbraw/zinc/23/59/58/780235958.db2.gz NDZLZSHAJMWZAC-TUAOUCFPSA-N 1 1 315.370 -2.319 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)nn1 ZINC001220642690 780236968 /nfs/dbraw/zinc/23/69/68/780236968.db2.gz IOSGCGKYPPWOLM-UMNHJUIQSA-N 1 1 313.358 -1.920 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)nn1 ZINC001220642690 780236976 /nfs/dbraw/zinc/23/69/76/780236976.db2.gz IOSGCGKYPPWOLM-UMNHJUIQSA-N 1 1 313.358 -1.920 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220636811 780237042 /nfs/dbraw/zinc/23/70/42/780237042.db2.gz SUGBLEVNWXCPEO-XQQFMLRXSA-N 1 1 311.382 -1.290 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220644814 780237320 /nfs/dbraw/zinc/23/73/20/780237320.db2.gz XHYSRSWOPULXDO-OLZOCXBDSA-N 1 1 324.381 -1.169 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220644678 780237365 /nfs/dbraw/zinc/23/73/65/780237365.db2.gz UXHIOTGIEZUAFS-UPJWGTAASA-N 1 1 324.381 -1.170 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](O)C1 ZINC001220653892 780237822 /nfs/dbraw/zinc/23/78/22/780237822.db2.gz XHATYCUNXLSLCD-XQQFMLRXSA-N 1 1 324.381 -1.170 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220660836 780238304 /nfs/dbraw/zinc/23/83/04/780238304.db2.gz DABXVUZRESUURC-AXFHLTTASA-N 1 1 313.358 -2.126 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688510 780238449 /nfs/dbraw/zinc/23/84/49/780238449.db2.gz JGGDBNXPWYITIC-AGIUHOORSA-N 1 1 312.414 -1.280 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688463 780239299 /nfs/dbraw/zinc/23/92/99/780239299.db2.gz HQXXHCQUIONIIX-UPJWGTAASA-N 1 1 314.430 -1.034 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001220683142 780239334 /nfs/dbraw/zinc/23/93/34/780239334.db2.gz LRABSXODAANBPK-MNOVXSKESA-N 1 1 311.390 -1.787 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220688720 780239424 /nfs/dbraw/zinc/23/94/24/780239424.db2.gz OCPZIDNTAHVONB-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220688720 780239430 /nfs/dbraw/zinc/23/94/30/780239430.db2.gz OCPZIDNTAHVONB-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220656778 780240083 /nfs/dbraw/zinc/24/00/83/780240083.db2.gz PNKTXMNEXQBAIL-WCQGTBRESA-N 1 1 314.342 -1.911 20 0 DAADMO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220688924 780241025 /nfs/dbraw/zinc/24/10/25/780241025.db2.gz WEDSTUXYCPFDPI-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220688924 780241033 /nfs/dbraw/zinc/24/10/33/780241033.db2.gz WEDSTUXYCPFDPI-UPJWGTAASA-N 1 1 303.403 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220689002 780241596 /nfs/dbraw/zinc/24/15/96/780241596.db2.gz ZSMCNGHIRKQYMK-UTUOFQBUSA-N 1 1 300.403 -1.376 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220714003 780241829 /nfs/dbraw/zinc/24/18/29/780241829.db2.gz SKGATWSGPSQHQL-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220714002 780241914 /nfs/dbraw/zinc/24/19/14/780241914.db2.gz SKGATWSGPSQHQL-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@H]1COCCN1CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220724123 780242746 /nfs/dbraw/zinc/24/27/46/780242746.db2.gz DZLHPXLXCUIQAR-GXTWGEPZSA-N 1 1 313.446 -1.426 20 0 DAADMO CC(=O)N[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001220744446 780242942 /nfs/dbraw/zinc/24/29/42/780242942.db2.gz JOLYJLLTTZPKEZ-IPYPFGDCSA-N 1 1 313.398 -1.165 20 0 DAADMO NC(=O)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220724001 780243003 /nfs/dbraw/zinc/24/30/03/780243003.db2.gz JWSVBMTVEGFAGK-NEPJUHHUSA-N 1 1 317.386 -1.798 20 0 DAADMO COCCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220728204 780243041 /nfs/dbraw/zinc/24/30/41/780243041.db2.gz BBNKTIWIDFHYLZ-NEPJUHHUSA-N 1 1 317.386 -1.927 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220725958 780243466 /nfs/dbraw/zinc/24/34/66/780243466.db2.gz BWRSCTQUAWNZAG-NEPJUHHUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220725958 780243474 /nfs/dbraw/zinc/24/34/74/780243474.db2.gz BWRSCTQUAWNZAG-NEPJUHHUSA-N 1 1 309.370 -1.065 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCC1=O ZINC001220749896 780243672 /nfs/dbraw/zinc/24/36/72/780243672.db2.gz AEDUBMMDWZBMSO-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764365 780245311 /nfs/dbraw/zinc/24/53/11/780245311.db2.gz IWWUBNMNUZTKOK-UPJWGTAASA-N 1 1 312.414 -1.374 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H](O)C1 ZINC001220759732 780245384 /nfs/dbraw/zinc/24/53/84/780245384.db2.gz LENSHNSALKTJTD-VWYCJHECSA-N 1 1 316.402 -1.123 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220761920 780245854 /nfs/dbraw/zinc/24/58/54/780245854.db2.gz FWVZJYOBGBYDPJ-KXUCPTDWSA-N 1 1 302.375 -1.777 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220761920 780245857 /nfs/dbraw/zinc/24/58/57/780245857.db2.gz FWVZJYOBGBYDPJ-KXUCPTDWSA-N 1 1 302.375 -1.777 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220769513 780247867 /nfs/dbraw/zinc/24/78/67/780247867.db2.gz OEPSCXWMVHPBQL-FJJYHAOUSA-N 1 1 321.381 -1.158 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001220816966 780248944 /nfs/dbraw/zinc/24/89/44/780248944.db2.gz JBWUVKRZJJKQMG-NEPJUHHUSA-N 1 1 310.402 -1.182 20 0 DAADMO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220809429 780249268 /nfs/dbraw/zinc/24/92/68/780249268.db2.gz YAHQCFGUUPEXFX-XQQFMLRXSA-N 1 1 301.387 -1.309 20 0 DAADMO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220809429 780249273 /nfs/dbraw/zinc/24/92/73/780249273.db2.gz YAHQCFGUUPEXFX-XQQFMLRXSA-N 1 1 301.387 -1.309 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1O ZINC001220829423 780249983 /nfs/dbraw/zinc/24/99/83/780249983.db2.gz RTZUDCOGTDRECZ-OLZOCXBDSA-N 1 1 310.402 -1.182 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220826293 780250382 /nfs/dbraw/zinc/25/03/82/780250382.db2.gz WPFSGZLLVFLANV-MCIONIFRSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@@H]1O ZINC001220826293 780250388 /nfs/dbraw/zinc/25/03/88/780250388.db2.gz WPFSGZLLVFLANV-MCIONIFRSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220825915 780251429 /nfs/dbraw/zinc/25/14/29/780251429.db2.gz JJSJLDXFECWIFM-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220852493 780252228 /nfs/dbraw/zinc/25/22/28/780252228.db2.gz LTTFZAKKLUUSJU-OLZOCXBDSA-N 1 1 312.370 -1.569 20 0 DAADMO C[C@H](OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1nccn1C ZINC001220866064 780252543 /nfs/dbraw/zinc/25/25/43/780252543.db2.gz GWLSZSSCZKFGIH-TUAOUCFPSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@H](OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nccn1C ZINC001220866064 780252550 /nfs/dbraw/zinc/25/25/50/780252550.db2.gz GWLSZSSCZKFGIH-TUAOUCFPSA-N 1 1 312.370 -1.349 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@@H](O)C1 ZINC001220860281 780252702 /nfs/dbraw/zinc/25/27/02/780252702.db2.gz IYPWOBITZXXWNP-WWGRRREGSA-N 1 1 324.425 -1.230 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)C[C@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220853508 780253348 /nfs/dbraw/zinc/25/33/48/780253348.db2.gz CYOZXQLNRNLKBD-SCVCMEIPSA-N 1 1 305.400 -1.361 20 0 DAADMO [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876154 780254056 /nfs/dbraw/zinc/25/40/56/780254056.db2.gz FVSCRLQCWLFNDL-LLVKDONJSA-N 1 1 321.337 -1.663 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881643 780256539 /nfs/dbraw/zinc/25/65/39/780256539.db2.gz CUGOKNOQZCMODA-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879579 780256666 /nfs/dbraw/zinc/25/66/66/780256666.db2.gz WHKJBXFXMQTICM-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220878987 780257020 /nfs/dbraw/zinc/25/70/20/780257020.db2.gz AKFSKZSCERGTTD-MNOVXSKESA-N 1 1 305.400 -1.551 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879231 780257062 /nfs/dbraw/zinc/25/70/62/780257062.db2.gz MIZISDQGJZTKDO-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879231 780257063 /nfs/dbraw/zinc/25/70/63/780257063.db2.gz MIZISDQGJZTKDO-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881975 780257127 /nfs/dbraw/zinc/25/71/27/780257127.db2.gz KYHIWCVBPLEBJV-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220881975 780257131 /nfs/dbraw/zinc/25/71/31/780257131.db2.gz KYHIWCVBPLEBJV-MXWKQRLJSA-N 1 1 323.415 -1.926 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913827 780257811 /nfs/dbraw/zinc/25/78/11/780257811.db2.gz PARPAMGUISRBCK-OLZOCXBDSA-N 1 1 324.381 -1.018 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913859 780257983 /nfs/dbraw/zinc/25/79/83/780257983.db2.gz QKCLWZUYTYZYPY-NEPJUHHUSA-N 1 1 310.354 -1.408 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)CNCCC[NH3+])CC1 ZINC001220926192 780257999 /nfs/dbraw/zinc/25/79/99/780257999.db2.gz ANEYLXHIZXJGIH-UHFFFAOYSA-N 1 1 306.432 -1.287 20 0 DAADMO O=C(CNC(=O)c1ccco1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220905725 780258326 /nfs/dbraw/zinc/25/83/26/780258326.db2.gz WMLFSJHDOMBMAD-MNOVXSKESA-N 1 1 311.338 -1.447 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220921502 780258431 /nfs/dbraw/zinc/25/84/31/780258431.db2.gz JZXVHONFBGYCNS-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220921502 780258443 /nfs/dbraw/zinc/25/84/43/780258443.db2.gz JZXVHONFBGYCNS-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913913 780258552 /nfs/dbraw/zinc/25/85/52/780258552.db2.gz UBGQQVLXYBPAKS-NEPJUHHUSA-N 1 1 310.354 -1.408 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 ZINC001220905520 780259060 /nfs/dbraw/zinc/25/90/60/780259060.db2.gz NKFURUXNBHQSAI-MNOVXSKESA-N 1 1 311.338 -1.183 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001220935390 780260242 /nfs/dbraw/zinc/26/02/42/780260242.db2.gz CZDPFSAJUORPQG-NEPJUHHUSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220935331 780260362 /nfs/dbraw/zinc/26/03/62/780260362.db2.gz AEFDINDCSUCOQZ-UTUOFQBUSA-N 1 1 314.386 -1.225 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001220931672 780261404 /nfs/dbraw/zinc/26/14/04/780261404.db2.gz CVSDCOXCBRLZIS-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220937826 780262935 /nfs/dbraw/zinc/26/29/35/780262935.db2.gz BYFSKUCDGXRAAG-TUAOUCFPSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1)OC ZINC001220938513 780263132 /nfs/dbraw/zinc/26/31/32/780263132.db2.gz XAAFSPUWKBQYSY-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220937791 780263280 /nfs/dbraw/zinc/26/32/80/780263280.db2.gz AQBNSEZNEDWVEP-MXWKQRLJSA-N 1 1 302.375 -1.633 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220940390 780263360 /nfs/dbraw/zinc/26/33/60/780263360.db2.gz WJUPUVFOHODOGG-BBBLOLIVSA-N 1 1 316.333 -1.505 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978019 780264997 /nfs/dbraw/zinc/26/49/97/780264997.db2.gz IWFFPFHNKVYUOI-XQQFMLRXSA-N 1 1 301.387 -1.749 20 0 DAADMO COCCOCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975996 780265241 /nfs/dbraw/zinc/26/52/41/780265241.db2.gz FAUHHCZARXUGDJ-MCIONIFRSA-N 1 1 315.414 -1.238 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220979571 780265916 /nfs/dbraw/zinc/26/59/16/780265916.db2.gz PEJGKLDYYYDPRR-ZJUUUORDSA-N 1 1 324.341 -2.452 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1)OC ZINC001220992474 780266216 /nfs/dbraw/zinc/26/62/16/780266216.db2.gz BVXGQABFOOPLJB-MXWKQRLJSA-N 1 1 323.415 -1.878 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220992435 780266643 /nfs/dbraw/zinc/26/66/43/780266643.db2.gz AQQGPUCLDSGPRJ-AXFHLTTASA-N 1 1 321.399 -2.267 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220986997 780266908 /nfs/dbraw/zinc/26/69/08/780266908.db2.gz FOHPAWRVFJULFG-MXWKQRLJSA-N 1 1 321.399 -2.124 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220992924 780266962 /nfs/dbraw/zinc/26/69/62/780266962.db2.gz MDSWMKSGZXGJRG-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001220992689 780266991 /nfs/dbraw/zinc/26/69/91/780266991.db2.gz HDWHOGDSWLMSQR-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001220992601 780267232 /nfs/dbraw/zinc/26/72/32/780267232.db2.gz DFJYFXYMGUREQJ-MNOVXSKESA-N 1 1 307.416 -1.257 20 0 DAADMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001220993175 780267353 /nfs/dbraw/zinc/26/73/53/780267353.db2.gz TYKMTCANGMNJDZ-TUAOUCFPSA-N 1 1 301.387 -1.044 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001220993124 780267414 /nfs/dbraw/zinc/26/74/14/780267414.db2.gz QWSCOJDQAXREEL-AXFHLTTASA-N 1 1 323.415 -2.142 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221007174 780268130 /nfs/dbraw/zinc/26/81/30/780268130.db2.gz YQBYSNXNSLEKQK-LPWJVIDDSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001221006306 780268222 /nfs/dbraw/zinc/26/82/22/780268222.db2.gz DREKYZZALAYROH-BYNQJWBRSA-N 1 1 312.414 -1.186 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221012339 780268690 /nfs/dbraw/zinc/26/86/90/780268690.db2.gz MOXBENRJNPJFJT-UPJWGTAASA-N 1 1 304.387 -1.171 20 0 DAADMO COCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221012339 780268695 /nfs/dbraw/zinc/26/86/95/780268695.db2.gz MOXBENRJNPJFJT-UPJWGTAASA-N 1 1 304.387 -1.171 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001221058147 780270323 /nfs/dbraw/zinc/27/03/23/780270323.db2.gz HFFMTEGIWKULQO-AXFHLTTASA-N 1 1 323.415 -2.190 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](O)C1 ZINC001221046186 780270942 /nfs/dbraw/zinc/27/09/42/780270942.db2.gz APGWWQHROOMLRQ-OLZOCXBDSA-N 1 1 322.365 -1.381 20 0 DAADMO CCN(CC)C(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221044861 780271632 /nfs/dbraw/zinc/27/16/32/780271632.db2.gz NOUQDAUSDUQPBY-NEPJUHHUSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)COC)C[C@@H]1O ZINC001221077408 780273360 /nfs/dbraw/zinc/27/33/60/780273360.db2.gz JVQSAOHUPYOEKU-MXWKQRLJSA-N 1 1 316.402 -1.110 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001221064222 780273400 /nfs/dbraw/zinc/27/34/00/780273400.db2.gz WJDLGFDSOZAFLX-NEPJUHHUSA-N 1 1 324.385 -1.788 20 0 DAADMO CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221072303 780273437 /nfs/dbraw/zinc/27/34/37/780273437.db2.gz WWKUSRXQQLCUPL-MNOVXSKESA-N 1 1 316.402 -1.372 20 0 DAADMO CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221072303 780273439 /nfs/dbraw/zinc/27/34/39/780273439.db2.gz WWKUSRXQQLCUPL-MNOVXSKESA-N 1 1 316.402 -1.372 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)OC)C[C@@H]1O ZINC001221075904 780273454 /nfs/dbraw/zinc/27/34/54/780273454.db2.gz XVMFLRCCQGXWCL-MXWKQRLJSA-N 1 1 316.402 -1.110 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CNC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001221063729 780273589 /nfs/dbraw/zinc/27/35/89/780273589.db2.gz HFRHQUMSRNDLAY-MNOVXSKESA-N 1 1 310.358 -2.036 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001221075629 780274112 /nfs/dbraw/zinc/27/41/12/780274112.db2.gz LAYJMXRWMKTBCO-BBBLOLIVSA-N 1 1 302.375 -1.764 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001221093708 780274826 /nfs/dbraw/zinc/27/48/26/780274826.db2.gz UQOBZKBFRPEUAW-OLZOCXBDSA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001221089733 780275478 /nfs/dbraw/zinc/27/54/78/780275478.db2.gz PHTRDZVQVAQYJV-NEPJUHHUSA-N 1 1 300.403 -1.424 20 0 DAADMO C[NH+](C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 ZINC001221096423 780276073 /nfs/dbraw/zinc/27/60/73/780276073.db2.gz SLIRXTRFGYAAAU-IPYPFGDCSA-N 1 1 320.393 -1.064 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091335 780276468 /nfs/dbraw/zinc/27/64/68/780276468.db2.gz KOFKTVQABIVYCT-WOPDTQHZSA-N 1 1 300.403 -1.248 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221156652 780277175 /nfs/dbraw/zinc/27/71/75/780277175.db2.gz ZLWNXULLJXAWRD-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001221156652 780277178 /nfs/dbraw/zinc/27/71/78/780277178.db2.gz ZLWNXULLJXAWRD-OLZOCXBDSA-N 1 1 322.365 -1.008 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001221149823 780277256 /nfs/dbraw/zinc/27/72/56/780277256.db2.gz GWXMOUMURSLBRR-UPJWGTAASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCC1([NH3+])CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)CC1 ZINC001221137008 780277638 /nfs/dbraw/zinc/27/76/38/780277638.db2.gz ZFZBHHAQLPAGSS-QWRGUYRKSA-N 1 1 316.402 -1.833 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221168780 780279587 /nfs/dbraw/zinc/27/95/87/780279587.db2.gz AHQQZYUGCWYHAN-MXWKQRLJSA-N 1 1 303.359 -2.189 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167663 780279641 /nfs/dbraw/zinc/27/96/41/780279641.db2.gz VNPINKOCGOZTNG-MNOVXSKESA-N 1 1 314.342 -1.184 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167663 780279650 /nfs/dbraw/zinc/27/96/50/780279650.db2.gz VNPINKOCGOZTNG-MNOVXSKESA-N 1 1 314.342 -1.184 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167078 780279764 /nfs/dbraw/zinc/27/97/64/780279764.db2.gz AHKQRLKBWQPPQI-AEJSXWLSSA-N 1 1 300.315 -1.840 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nonc2C)[C@@H](O)C1 ZINC001221167078 780279771 /nfs/dbraw/zinc/27/97/71/780279771.db2.gz AHKQRLKBWQPPQI-AEJSXWLSSA-N 1 1 300.315 -1.840 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171080 780279844 /nfs/dbraw/zinc/27/98/44/780279844.db2.gz DQRNOQUQAYORIE-OLZOCXBDSA-N 1 1 323.397 -1.221 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221168785 780280052 /nfs/dbraw/zinc/28/00/52/780280052.db2.gz ANMBBDPIIPUSRU-ZJUUUORDSA-N 1 1 300.315 -1.838 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221168785 780280057 /nfs/dbraw/zinc/28/00/57/780280057.db2.gz ANMBBDPIIPUSRU-ZJUUUORDSA-N 1 1 300.315 -1.838 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221171180 780280505 /nfs/dbraw/zinc/28/05/05/780280505.db2.gz JBXHENVIRUHPMU-MNOVXSKESA-N 1 1 303.359 -2.188 20 0 DAADMO C[N@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)Cc1ccccc1 ZINC001221162943 780280584 /nfs/dbraw/zinc/28/05/84/780280584.db2.gz NSCZBZNGVKHVKK-KGLIPLIRSA-N 1 1 320.393 -1.235 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)Cc1ccccc1 ZINC001221162943 780280594 /nfs/dbraw/zinc/28/05/94/780280594.db2.gz NSCZBZNGVKHVKK-KGLIPLIRSA-N 1 1 320.393 -1.235 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221159796 780280640 /nfs/dbraw/zinc/28/06/40/780280640.db2.gz VAZDMDNKLBCPLI-TUAOUCFPSA-N 1 1 316.402 -1.243 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189816 780281526 /nfs/dbraw/zinc/28/15/26/780281526.db2.gz LUIFRSIJOMDWPJ-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221176257 780282129 /nfs/dbraw/zinc/28/21/29/780282129.db2.gz SCLAGKCQRPFLMQ-GRYCIOLGSA-N 1 1 315.370 -2.175 20 0 DAADMO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221184475 780282211 /nfs/dbraw/zinc/28/22/11/780282211.db2.gz WNDYISOHCYORNU-UPJWGTAASA-N 1 1 302.371 -1.274 20 0 DAADMO CC(C)CC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221179739 780282663 /nfs/dbraw/zinc/28/26/63/780282663.db2.gz JUYPPCVZYFVLAN-NEPJUHHUSA-N 1 1 301.387 -1.308 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](O)C1 ZINC001221189915 780283566 /nfs/dbraw/zinc/28/35/66/780283566.db2.gz QOXDBSRULITEJX-MJBXVCDLSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221235669 780283945 /nfs/dbraw/zinc/28/39/45/780283945.db2.gz QDVZRCZIUZRVNB-CHWSQXEVSA-N 1 1 306.370 -1.053 20 0 DAADMO Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221236378 780284012 /nfs/dbraw/zinc/28/40/12/780284012.db2.gz FKGJGHAAYSGZOG-VIFPVBQESA-N 1 1 319.369 -1.351 20 0 DAADMO Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221236377 780284103 /nfs/dbraw/zinc/28/41/03/780284103.db2.gz FKGJGHAAYSGZOG-SECBINFHSA-N 1 1 319.369 -1.351 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221259395 780285230 /nfs/dbraw/zinc/28/52/30/780285230.db2.gz BZGCRJPUGRQGIO-GMTAPVOTSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221259395 780285241 /nfs/dbraw/zinc/28/52/41/780285241.db2.gz BZGCRJPUGRQGIO-GMTAPVOTSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221259600 780285261 /nfs/dbraw/zinc/28/52/61/780285261.db2.gz MEKIDTXEXQAGLZ-MWLCHTKSSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221259600 780285270 /nfs/dbraw/zinc/28/52/70/780285270.db2.gz MEKIDTXEXQAGLZ-MWLCHTKSSA-N 1 1 309.370 -1.534 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221259809 780286130 /nfs/dbraw/zinc/28/61/30/780286130.db2.gz WEGDFILXZXSDEK-KXUCPTDWSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001221259809 780286137 /nfs/dbraw/zinc/28/61/37/780286137.db2.gz WEGDFILXZXSDEK-KXUCPTDWSA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221259509 780286187 /nfs/dbraw/zinc/28/61/87/780286187.db2.gz IAEDUTVRVDBSNO-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001221259509 780286194 /nfs/dbraw/zinc/28/61/94/780286194.db2.gz IAEDUTVRVDBSNO-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001221257036 780286343 /nfs/dbraw/zinc/28/63/43/780286343.db2.gz VTABCQFJXXFXIQ-DLOVCJGASA-N 1 1 309.370 -1.300 20 0 DAADMO COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259423 780286913 /nfs/dbraw/zinc/28/69/13/780286913.db2.gz DHJBBJPPFAIOBL-VXGBXAGGSA-N 1 1 314.386 -1.150 20 0 DAADMO CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264756 780288109 /nfs/dbraw/zinc/28/81/09/780288109.db2.gz ZWUINWMKDGOQDU-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221264756 780288114 /nfs/dbraw/zinc/28/81/14/780288114.db2.gz ZWUINWMKDGOQDU-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H]2NCN[C@H]21 ZINC001221265058 780288942 /nfs/dbraw/zinc/28/89/42/780288942.db2.gz FXWVTBJCWPQMFK-SPFKKGSWSA-N 1 1 322.335 -1.564 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221296221 780290457 /nfs/dbraw/zinc/29/04/57/780290457.db2.gz CCJHFFOVNBEFRE-FRRDWIJNSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221296221 780290467 /nfs/dbraw/zinc/29/04/67/780290467.db2.gz CCJHFFOVNBEFRE-FRRDWIJNSA-N 1 1 308.382 -1.114 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221334836 780291068 /nfs/dbraw/zinc/29/10/68/780291068.db2.gz VBWIRRYWUWFKDR-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221503511 780294240 /nfs/dbraw/zinc/29/42/40/780294240.db2.gz UATHXVVRSRSOEZ-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221503511 780294246 /nfs/dbraw/zinc/29/42/46/780294246.db2.gz UATHXVVRSRSOEZ-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO O=C(Cc1ccon1)NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001276823135 780294340 /nfs/dbraw/zinc/29/43/40/780294340.db2.gz MGUZYSXLLOINBU-LLVKDONJSA-N 1 1 321.337 -1.041 20 0 DAADMO O=C(Cc1ccon1)NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O ZINC001276823135 780294344 /nfs/dbraw/zinc/29/43/44/780294344.db2.gz MGUZYSXLLOINBU-LLVKDONJSA-N 1 1 321.337 -1.041 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221458453 780294839 /nfs/dbraw/zinc/29/48/39/780294839.db2.gz HGNYIRCGMCMYQZ-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221458453 780294847 /nfs/dbraw/zinc/29/48/47/780294847.db2.gz HGNYIRCGMCMYQZ-VXGBXAGGSA-N 1 1 308.382 -1.079 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221496269 780295254 /nfs/dbraw/zinc/29/52/54/780295254.db2.gz QKLMUBQSXCYEAR-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221496269 780295264 /nfs/dbraw/zinc/29/52/64/780295264.db2.gz QKLMUBQSXCYEAR-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001221508330 780296493 /nfs/dbraw/zinc/29/64/93/780296493.db2.gz QKRNLYGUKIYYAQ-WHOHXGKFSA-N 1 1 314.386 -1.417 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221507935 780296833 /nfs/dbraw/zinc/29/68/33/780296833.db2.gz XEUMENNAKIBQKO-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001221507935 780296835 /nfs/dbraw/zinc/29/68/35/780296835.db2.gz XEUMENNAKIBQKO-IJLUTSLNSA-N 1 1 308.382 -1.114 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001221576745 780296978 /nfs/dbraw/zinc/29/69/78/780296978.db2.gz NCBXRLOFAYKJKF-JHJVBQTASA-N 1 1 309.370 -1.182 20 0 DAADMO O=C(Cn1nccn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221576746 780297577 /nfs/dbraw/zinc/29/75/77/780297577.db2.gz NDEHPSAYWIVVNM-CHWSQXEVSA-N 1 1 309.370 -1.180 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001221547646 780297741 /nfs/dbraw/zinc/29/77/41/780297741.db2.gz SNVZPBIZPLJFMT-QJPTWQEYSA-N 1 1 319.427 -1.161 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221598479 780298260 /nfs/dbraw/zinc/29/82/60/780298260.db2.gz MYVGEDPZSRFWCX-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001221598479 780298263 /nfs/dbraw/zinc/29/82/63/780298263.db2.gz MYVGEDPZSRFWCX-OUAUKWLOSA-N 1 1 311.386 -1.288 20 0 DAADMO CCC[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001221715260 780298421 /nfs/dbraw/zinc/29/84/21/780298421.db2.gz JPNHJIJGGFHVKA-GHMZBOCLSA-N 1 1 304.416 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001221715268 780298704 /nfs/dbraw/zinc/29/87/04/780298704.db2.gz JYUFQXCVYUYFKN-GHMZBOCLSA-N 1 1 322.406 -1.068 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221589319 780299398 /nfs/dbraw/zinc/29/93/98/780299398.db2.gz IQGJSACTQKNNPZ-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001221775283 780300304 /nfs/dbraw/zinc/30/03/04/780300304.db2.gz PWMMPMCOPBPIQU-GRYCIOLGSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001221775283 780300310 /nfs/dbraw/zinc/30/03/10/780300310.db2.gz PWMMPMCOPBPIQU-GRYCIOLGSA-N 1 1 323.397 -1.321 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001221740692 780301064 /nfs/dbraw/zinc/30/10/64/780301064.db2.gz GAKLLALHKYBVLV-GMTAPVOTSA-N 1 1 310.358 -1.636 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC2(C1)NC(=O)NC2=O ZINC001221814046 780302756 /nfs/dbraw/zinc/30/27/56/780302756.db2.gz HLHOPZIQMDODIA-ZJUUUORDSA-N 1 1 323.353 -1.547 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001221868603 780303783 /nfs/dbraw/zinc/30/37/83/780303783.db2.gz JRBTUVFXGWECID-NQBHXWOUSA-N 1 1 309.370 -1.031 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001221933609 780304738 /nfs/dbraw/zinc/30/47/38/780304738.db2.gz HYEWGGKPQAXBQM-GRYCIOLGSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001221933609 780304746 /nfs/dbraw/zinc/30/47/46/780304746.db2.gz HYEWGGKPQAXBQM-GRYCIOLGSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001221933609 780304753 /nfs/dbraw/zinc/30/47/53/780304753.db2.gz HYEWGGKPQAXBQM-GRYCIOLGSA-N 1 1 309.370 -1.113 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001221889765 780304911 /nfs/dbraw/zinc/30/49/11/780304911.db2.gz PLFISAZWDSCQJJ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001221889765 780304919 /nfs/dbraw/zinc/30/49/19/780304919.db2.gz PLFISAZWDSCQJJ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)NC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001221926691 780305273 /nfs/dbraw/zinc/30/52/73/780305273.db2.gz FQZTWDMFGYXOJE-QJPTWQEYSA-N 1 1 321.385 -1.270 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001221889443 780306327 /nfs/dbraw/zinc/30/63/27/780306327.db2.gz DAGGKSBCIMZGOX-FRRDWIJNSA-N 1 1 324.385 -1.397 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222251802 780309187 /nfs/dbraw/zinc/30/91/87/780309187.db2.gz KKLQQFOKNIEWRF-PWSUYJOCSA-N 1 1 321.385 -1.094 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222251802 780309194 /nfs/dbraw/zinc/30/91/94/780309194.db2.gz KKLQQFOKNIEWRF-PWSUYJOCSA-N 1 1 321.385 -1.094 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001222251654 780310109 /nfs/dbraw/zinc/31/01/09/780310109.db2.gz DDMFNRGGNGHGJT-UTUOFQBUSA-N 1 1 314.386 -1.415 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001222475125 780310599 /nfs/dbraw/zinc/31/05/99/780310599.db2.gz KYKQLXBYMPLBDJ-BDAKNGLRSA-N 1 1 311.342 -2.021 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)[C@H]2C1 ZINC001222475125 780310604 /nfs/dbraw/zinc/31/06/04/780310604.db2.gz KYKQLXBYMPLBDJ-BDAKNGLRSA-N 1 1 311.342 -2.021 20 0 DAADMO CS(=O)(=O)CC(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001222525184 780310847 /nfs/dbraw/zinc/31/08/47/780310847.db2.gz PNWMTGHMAYJBTJ-UHFFFAOYSA-N 1 1 322.427 -1.132 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222688742 780313636 /nfs/dbraw/zinc/31/36/36/780313636.db2.gz BXMXEOQMQLNCIE-OLZOCXBDSA-N 1 1 324.385 -1.395 20 0 DAADMO CC[N@H+]1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001223200882 780314320 /nfs/dbraw/zinc/31/43/20/780314320.db2.gz USOSEOBXTXWUPD-MNOVXSKESA-N 1 1 304.416 -1.017 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001276874169 780314572 /nfs/dbraw/zinc/31/45/72/780314572.db2.gz BDZOESBKKYJPPJ-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001276874169 780314578 /nfs/dbraw/zinc/31/45/78/780314578.db2.gz BDZOESBKKYJPPJ-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001276867699 780314606 /nfs/dbraw/zinc/31/46/06/780314606.db2.gz SPSQXYGQOAOKDS-RYUDHWBXSA-N 1 1 323.397 -1.054 20 0 DAADMO Cn1cc(C[NH+]2CCC(CNC(=O)Cn3ncnn3)CC2)nn1 ZINC001223239313 780316016 /nfs/dbraw/zinc/31/60/16/780316016.db2.gz LFHOTCURYNDZDP-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCOCCO)c1ccc2nnnn2c1 ZINC001276883351 780316511 /nfs/dbraw/zinc/31/65/11/780316511.db2.gz IFXPXTUVWOFURB-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCOCCO)c1ccc2nnnn2c1 ZINC001276883351 780316513 /nfs/dbraw/zinc/31/65/13/780316513.db2.gz IFXPXTUVWOFURB-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@@H]21 ZINC001223378488 780316733 /nfs/dbraw/zinc/31/67/33/780316733.db2.gz KTTYQKJJEUJWSX-WOPDTQHZSA-N 1 1 323.397 -1.273 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@@H]21 ZINC001223277731 780316909 /nfs/dbraw/zinc/31/69/09/780316909.db2.gz NIELZGJKJBXENP-UTUOFQBUSA-N 1 1 324.385 -1.246 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223572701 780317377 /nfs/dbraw/zinc/31/73/77/780317377.db2.gz PDLUEHYWEDSZOR-UTUOFQBUSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@@H]1C[N@H+](C)CCO1 ZINC001223654497 780317395 /nfs/dbraw/zinc/31/73/95/780317395.db2.gz IZCHWOHZFKIFLH-IUCAKERBSA-N 1 1 311.342 -1.691 20 0 DAADMO C[C@H](NC(=O)N1CC2(C1)NC(=O)NC2=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001223654497 780317402 /nfs/dbraw/zinc/31/74/02/780317402.db2.gz IZCHWOHZFKIFLH-IUCAKERBSA-N 1 1 311.342 -1.691 20 0 DAADMO COCC[N@H+]1C[C@@H]2C(C(=O)N3CCn4cnnc4C3)=NO[C@@H]2C1 ZINC001276897841 780317437 /nfs/dbraw/zinc/31/74/37/780317437.db2.gz YEGUUIKYPFYMSZ-WDEREUQCSA-N 1 1 320.353 -1.047 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C(C(=O)N3CCn4cnnc4C3)=NO[C@@H]2C1 ZINC001276897841 780317443 /nfs/dbraw/zinc/31/74/43/780317443.db2.gz YEGUUIKYPFYMSZ-WDEREUQCSA-N 1 1 320.353 -1.047 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001276899636 780318158 /nfs/dbraw/zinc/31/81/58/780318158.db2.gz OQYXOCZKAXQWIQ-LBPRGKRZSA-N 1 1 314.386 -2.382 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001276899636 780318161 /nfs/dbraw/zinc/31/81/61/780318161.db2.gz OQYXOCZKAXQWIQ-LBPRGKRZSA-N 1 1 314.386 -2.382 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)[nH]1 ZINC001276923938 780319436 /nfs/dbraw/zinc/31/94/36/780319436.db2.gz QNKZGOWOUCCFMV-SNVBAGLBSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+]2CCOCCO)[nH]1 ZINC001276923938 780319437 /nfs/dbraw/zinc/31/94/37/780319437.db2.gz QNKZGOWOUCCFMV-SNVBAGLBSA-N 1 1 310.354 -1.073 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001224532682 780321282 /nfs/dbraw/zinc/32/12/82/780321282.db2.gz KZYRRFOJNQAETA-GHMZBOCLSA-N 1 1 309.374 -1.137 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)O1 ZINC001276989915 780322471 /nfs/dbraw/zinc/32/24/71/780322471.db2.gz FWFXKPHSUJSRMN-ZRDGONRFSA-N 1 1 300.355 -1.191 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H]3C[C@]32C(N)=O)O1 ZINC001276989915 780322479 /nfs/dbraw/zinc/32/24/79/780322479.db2.gz FWFXKPHSUJSRMN-ZRDGONRFSA-N 1 1 300.355 -1.191 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)n1 ZINC001276980665 780322699 /nfs/dbraw/zinc/32/26/99/780322699.db2.gz VWTREBLYAAJPKH-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2CCOCCO)n1 ZINC001276980665 780322704 /nfs/dbraw/zinc/32/27/04/780322704.db2.gz VWTREBLYAAJPKH-LLVKDONJSA-N 1 1 322.365 -1.007 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CC[N@@H+]2CCN1CCOCC1 ZINC001277021700 780325381 /nfs/dbraw/zinc/32/53/81/780325381.db2.gz DDQMTJGTCWLYTM-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CC[N@H+]2CCN1CCOCC1 ZINC001277021700 780325383 /nfs/dbraw/zinc/32/53/83/780325383.db2.gz DDQMTJGTCWLYTM-XJKSGUPXSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)NCC(=O)NC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001225855354 780329069 /nfs/dbraw/zinc/32/90/69/780329069.db2.gz UCXFEMROEIDHGG-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225964636 780329286 /nfs/dbraw/zinc/32/92/86/780329286.db2.gz SQYVLUQHABVWAK-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225911670 780329382 /nfs/dbraw/zinc/32/93/82/780329382.db2.gz XBULTNNFDOCNBZ-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225979885 780329396 /nfs/dbraw/zinc/32/93/96/780329396.db2.gz JHTWFYFJPGLKPT-MRVPVSSYSA-N 1 1 324.345 -2.163 20 0 DAADMO NC(=O)NCC(=O)NC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001226002497 780330274 /nfs/dbraw/zinc/33/02/74/780330274.db2.gz OWRUAPYMVABHHQ-UHFFFAOYSA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2COCCO2)CC1 ZINC001226127476 780330794 /nfs/dbraw/zinc/33/07/94/780330794.db2.gz FKQPNZVIIYVZAR-JTQLQIEISA-N 1 1 314.342 -1.823 20 0 DAADMO CN(C(=O)C[NH+]1CCC(NC(=O)CNC(N)=O)CC1)C1CC1 ZINC001226002197 780331168 /nfs/dbraw/zinc/33/11/68/780331168.db2.gz NNDDNKHIZHDVPM-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC001226028795 780331218 /nfs/dbraw/zinc/33/12/18/780331218.db2.gz MHBRJQCMIWHTJH-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO CS(=O)(=O)CC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001226352453 780332130 /nfs/dbraw/zinc/33/21/30/780332130.db2.gz RMWPJUZODHPMQL-UHFFFAOYSA-N 1 1 308.400 -1.380 20 0 DAADMO COC[C@@H](O)C[NH+]1CCC(NC(=O)CS(C)(=O)=O)CC1 ZINC001226351577 780332649 /nfs/dbraw/zinc/33/26/49/780332649.db2.gz FLMCXLAPXNTSOC-NSHDSACASA-N 1 1 308.400 -1.381 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226732199 780336073 /nfs/dbraw/zinc/33/60/73/780336073.db2.gz LXAMAGVUJVOFFP-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1)C(=O)N(C)C ZINC001277165168 780337615 /nfs/dbraw/zinc/33/76/15/780337615.db2.gz VKXFLQIFUSPNAH-MRVPVSSYSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(C)(O)CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227146760 780339218 /nfs/dbraw/zinc/33/92/18/780339218.db2.gz NKVBCFIUFCLTSV-UHFFFAOYSA-N 1 1 300.359 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC001227132245 780339263 /nfs/dbraw/zinc/33/92/63/780339263.db2.gz YGTBHQNZXLJAEW-QMMMGPOBSA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)NCCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001227220769 780339314 /nfs/dbraw/zinc/33/93/14/780339314.db2.gz NJAFKQNWJJVNMH-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)nn1 ZINC001227151243 780339592 /nfs/dbraw/zinc/33/95/92/780339592.db2.gz HSHNBDSUPKAWDX-UHFFFAOYSA-N 1 1 309.330 -1.796 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001227323456 780340590 /nfs/dbraw/zinc/34/05/90/780340590.db2.gz UIJBUBBRTLLCIJ-VIFPVBQESA-N 1 1 320.415 -1.620 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227398914 780340868 /nfs/dbraw/zinc/34/08/68/780340868.db2.gz CPIUEEIJYJIGHG-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CNC(=O)N2CCCC2)CC1 ZINC001227332358 780341675 /nfs/dbraw/zinc/34/16/75/780341675.db2.gz NOMKJHLETYROEE-UHFFFAOYSA-N 1 1 311.386 -1.142 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227496088 780342491 /nfs/dbraw/zinc/34/24/91/780342491.db2.gz COPMDVDKFIOLTK-SECBINFHSA-N 1 1 300.359 -1.797 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001277218463 780342514 /nfs/dbraw/zinc/34/25/14/780342514.db2.gz RGPYJNXSYWZNRD-MRVPVSSYSA-N 1 1 306.326 -1.609 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001227645553 780342534 /nfs/dbraw/zinc/34/25/34/780342534.db2.gz SOTDZJIVNNNSJY-VIFPVBQESA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)NCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227684696 780342880 /nfs/dbraw/zinc/34/28/80/780342880.db2.gz KANKVDFKVOJIHF-UHFFFAOYSA-N 1 1 314.346 -2.309 20 0 DAADMO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001277218456 780343035 /nfs/dbraw/zinc/34/30/35/780343035.db2.gz RDUFJVMSOGRZST-UHFFFAOYSA-N 1 1 316.387 -1.865 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CCNS(C)(=O)=O)CC1 ZINC001227645585 780343217 /nfs/dbraw/zinc/34/32/17/780343217.db2.gz UCLZUKWKYJTOIH-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC001227798218 780343974 /nfs/dbraw/zinc/34/39/74/780343974.db2.gz UDSITNVDDTWGDN-CYBMUJFWSA-N 1 1 322.413 -1.121 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCN1C(=O)CCC1=O ZINC001227977951 780344315 /nfs/dbraw/zinc/34/43/15/780344315.db2.gz OMSLICYXOXTYCG-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCN1C(=O)CCC1=O ZINC001227977951 780344320 /nfs/dbraw/zinc/34/43/20/780344320.db2.gz OMSLICYXOXTYCG-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnc[nH]c2=O)CC1 ZINC001227929117 780344776 /nfs/dbraw/zinc/34/47/76/780344776.db2.gz CYGRHRSMASRJQO-UHFFFAOYSA-N 1 1 322.325 -1.429 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001227899631 780345038 /nfs/dbraw/zinc/34/50/38/780345038.db2.gz GXJURFUIXSMFFC-UHFFFAOYSA-N 1 1 322.325 -1.429 20 0 DAADMO C[C@H](CCC[NH2+]Cc1cnon1)NC(=O)CN1CCNC(=O)C1 ZINC001277265281 780346209 /nfs/dbraw/zinc/34/62/09/780346209.db2.gz XJEMXLDVUPAURR-LLVKDONJSA-N 1 1 324.385 -1.124 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001228040232 780346497 /nfs/dbraw/zinc/34/64/97/780346497.db2.gz UJQJAXHXUHIIHY-UHFFFAOYSA-N 1 1 313.358 -2.695 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCN2C(=O)CCC2=O)CC1 ZINC001228204053 780346570 /nfs/dbraw/zinc/34/65/70/780346570.db2.gz LZJDIOIGZVJVNH-JTQLQIEISA-N 1 1 324.381 -1.020 20 0 DAADMO CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC001277281846 780347100 /nfs/dbraw/zinc/34/71/00/780347100.db2.gz HNGPNZAMFPAJRY-SDDRHHMPSA-N 1 1 324.381 -1.086 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228550031 780349033 /nfs/dbraw/zinc/34/90/33/780349033.db2.gz QJIBIHAIDREYPQ-UHFFFAOYSA-N 1 1 309.330 -1.498 20 0 DAADMO O=C(NCCn1ccnn1)[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001277304892 780349094 /nfs/dbraw/zinc/34/90/94/780349094.db2.gz XKHBWLSKQPVAOR-TYNCELHUSA-N 1 1 318.381 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2[nH]nnc2C)CC1 ZINC001228548741 780349233 /nfs/dbraw/zinc/34/92/33/780349233.db2.gz DYOCLWKPSSLGNC-UHFFFAOYSA-N 1 1 323.357 -1.237 20 0 DAADMO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001277302984 780349271 /nfs/dbraw/zinc/34/92/71/780349271.db2.gz FOMUKCZBFSSHBK-JRPNMDOOSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228693825 780350470 /nfs/dbraw/zinc/35/04/70/780350470.db2.gz SHBPSZGFLAPFGV-ZETCQYMHSA-N 1 1 324.345 -2.012 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228670783 780350480 /nfs/dbraw/zinc/35/04/80/780350480.db2.gz VHSXJLBGCVNBGI-UHFFFAOYSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228693817 780350585 /nfs/dbraw/zinc/35/05/85/780350585.db2.gz SHBPSZGFLAPFGV-SSDOTTSWSA-N 1 1 324.345 -2.012 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@]2(C(=O)NCCn2ccnn2)C1 ZINC001277334178 780351025 /nfs/dbraw/zinc/35/10/25/780351025.db2.gz KERWDEQRBJYBLQ-BXUZGUMPSA-N 1 1 306.370 -1.196 20 0 DAADMO C[C@H](C[NH+]1CCC(NC(=O)C(N)=O)CC1)CS(C)(=O)=O ZINC001228912495 780352492 /nfs/dbraw/zinc/35/24/92/780352492.db2.gz PLFBJWAYQOFVFI-SECBINFHSA-N 1 1 305.400 -1.267 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904868 780352621 /nfs/dbraw/zinc/35/26/21/780352621.db2.gz XDUWNGPWBCHEBU-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228904867 780353004 /nfs/dbraw/zinc/35/30/04/780353004.db2.gz XDUWNGPWBCHEBU-MRVPVSSYSA-N 1 1 313.358 -1.714 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001228895294 780353051 /nfs/dbraw/zinc/35/30/51/780353051.db2.gz KJRDYXHBZSWCGZ-MRVPVSSYSA-N 1 1 312.330 -2.557 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001229605934 780355819 /nfs/dbraw/zinc/35/58/19/780355819.db2.gz LDCSUEFQVXYMLV-RKDXNWHRSA-N 1 1 323.357 -1.441 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001229377403 780356290 /nfs/dbraw/zinc/35/62/90/780356290.db2.gz SEGHXBITULAARM-UHFFFAOYSA-N 1 1 321.403 -2.552 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001229356206 780357280 /nfs/dbraw/zinc/35/72/80/780357280.db2.gz ZXRXNWYAEJEHMJ-UHFFFAOYSA-N 1 1 322.369 -1.012 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001229740174 780358615 /nfs/dbraw/zinc/35/86/15/780358615.db2.gz FWRMAGZEGSHTSP-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230091744 780359669 /nfs/dbraw/zinc/35/96/69/780359669.db2.gz RVEJRWNCVUYLGT-NXEZZACHSA-N 1 1 324.389 -1.215 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)COCc2nncn2C)CC1 ZINC001229832969 780360477 /nfs/dbraw/zinc/36/04/77/780360477.db2.gz VWORZDAQSSPAPC-UHFFFAOYSA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)COCc2nncn2C)CC1 ZINC001229858396 780360739 /nfs/dbraw/zinc/36/07/39/780360739.db2.gz DDIUEJYCYPKTQM-JTQLQIEISA-N 1 1 324.385 -1.214 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC001230152329 780360903 /nfs/dbraw/zinc/36/09/03/780360903.db2.gz MYDHIGHEZPLPKE-UHFFFAOYSA-N 1 1 320.415 -1.796 20 0 DAADMO Cc1nonc1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229832693 780361218 /nfs/dbraw/zinc/36/12/18/780361218.db2.gz QOOYEGOOGILVAS-UHFFFAOYSA-N 1 1 324.341 -1.304 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)CS(=O)(=O)NC)CC1 ZINC001230284755 780362192 /nfs/dbraw/zinc/36/21/92/780362192.db2.gz ABTXYHVPDXVYPW-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ccccn2)CC1 ZINC001230334263 780363564 /nfs/dbraw/zinc/36/35/64/780363564.db2.gz NSOIYZNLPCXNPJ-UHFFFAOYSA-N 1 1 319.365 -1.123 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001230475296 780366410 /nfs/dbraw/zinc/36/64/10/780366410.db2.gz FIFGKNSPTCWADV-JTQLQIEISA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001230509412 780367572 /nfs/dbraw/zinc/36/75/72/780367572.db2.gz YGWGEROZMSVXDB-LLVKDONJSA-N 1 1 311.386 -1.157 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)CNC(N)=O ZINC001230730564 780370771 /nfs/dbraw/zinc/37/07/71/780370771.db2.gz HPWLDDNGISBJKN-SNVBAGLBSA-N 1 1 312.374 -1.787 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)CNC(N)=O ZINC001230730564 780370776 /nfs/dbraw/zinc/37/07/76/780370776.db2.gz HPWLDDNGISBJKN-SNVBAGLBSA-N 1 1 312.374 -1.787 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21)C(=O)CNC(N)=O ZINC001230735288 780371998 /nfs/dbraw/zinc/37/19/98/780371998.db2.gz OUHZWOLKNHKHQL-QWRGUYRKSA-N 1 1 321.385 -1.034 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@H]1CCc2ncnn21)C(=O)CNC(N)=O ZINC001230735286 780372354 /nfs/dbraw/zinc/37/23/54/780372354.db2.gz OUHZWOLKNHKHQL-GHMZBOCLSA-N 1 1 321.385 -1.034 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)Cn1cnnn1 ZINC001230748864 780373820 /nfs/dbraw/zinc/37/38/20/780373820.db2.gz KHTXOIIEPSXKCO-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)Cn1cnnn1 ZINC001230748864 780373825 /nfs/dbraw/zinc/37/38/25/780373825.db2.gz KHTXOIIEPSXKCO-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)C1=COCCO1 ZINC001277469643 780374835 /nfs/dbraw/zinc/37/48/35/780374835.db2.gz RLMZGZJSXSSBOP-JTQLQIEISA-N 1 1 301.343 -1.187 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835531 780375199 /nfs/dbraw/zinc/37/51/99/780375199.db2.gz KRNVDAHUKAYPHY-ZDUSSCGKSA-N 1 1 324.381 -1.118 20 0 DAADMO C[N@@H+](CCOCCNC(=O)C1=COCCO1)[C@@H]1CCNC1=O ZINC001277470253 780375544 /nfs/dbraw/zinc/37/55/44/780375544.db2.gz ZCSXRBXFEBWORR-LLVKDONJSA-N 1 1 313.354 -1.172 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1COCCO1 ZINC001230822586 780375753 /nfs/dbraw/zinc/37/57/53/780375753.db2.gz ALIZUWWZOVIHAA-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1COCCO1 ZINC001230822586 780375760 /nfs/dbraw/zinc/37/57/60/780375760.db2.gz ALIZUWWZOVIHAA-CHWSQXEVSA-N 1 1 302.371 -1.057 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835484 780376205 /nfs/dbraw/zinc/37/62/05/780376205.db2.gz IDYHRMCKOWMYSU-JTQLQIEISA-N 1 1 307.354 -1.251 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)C(N)=O)Cc1cccnc1 ZINC001230835484 780376210 /nfs/dbraw/zinc/37/62/10/780376210.db2.gz IDYHRMCKOWMYSU-JTQLQIEISA-N 1 1 307.354 -1.251 20 0 DAADMO COCC(=O)NCCC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001230960608 780377892 /nfs/dbraw/zinc/37/78/92/780377892.db2.gz PJKKSVFCKVYCNG-LLVKDONJSA-N 1 1 316.402 -1.336 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001230960608 780377902 /nfs/dbraw/zinc/37/79/02/780377902.db2.gz PJKKSVFCKVYCNG-LLVKDONJSA-N 1 1 316.402 -1.336 20 0 DAADMO COCC(=O)NCCC[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001230952165 780378142 /nfs/dbraw/zinc/37/81/42/780378142.db2.gz HKNQIZJYBWIBQV-LLVKDONJSA-N 1 1 315.370 -1.419 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@@H+](C)CCCS(C)(=O)=O ZINC001231278886 780379368 /nfs/dbraw/zinc/37/93/68/780379368.db2.gz RGNAVOXMBVLKJU-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CCCS(C)(=O)=O ZINC001231278886 780379376 /nfs/dbraw/zinc/37/93/76/780379376.db2.gz RGNAVOXMBVLKJU-UHFFFAOYSA-N 1 1 307.416 -1.005 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231268635 780379396 /nfs/dbraw/zinc/37/93/96/780379396.db2.gz FZJLINMWBAOTKH-UHFFFAOYSA-N 1 1 301.347 -1.984 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231278584 780379614 /nfs/dbraw/zinc/37/96/14/780379614.db2.gz LNEHCXJHZZIVMJ-ZDUSSCGKSA-N 1 1 319.402 -1.416 20 0 DAADMO CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369762 780380566 /nfs/dbraw/zinc/38/05/66/780380566.db2.gz WAASFNINLMJTJS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231369762 780380576 /nfs/dbraw/zinc/38/05/76/780380576.db2.gz WAASFNINLMJTJS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001231368820 780380908 /nfs/dbraw/zinc/38/09/08/780380908.db2.gz OMPUDKGSNXUSMN-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)C(=O)CC(N)=O ZINC001231359262 780381706 /nfs/dbraw/zinc/38/17/06/780381706.db2.gz LGASBICUXGRYGT-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)C(=O)CC(N)=O ZINC001231359262 780381709 /nfs/dbraw/zinc/38/17/09/780381709.db2.gz LGASBICUXGRYGT-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO Cn1cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c(=O)n(C)c1=O ZINC001231770463 780382464 /nfs/dbraw/zinc/38/24/64/780382464.db2.gz JQPNMOYDBWVRIT-GFCCVEGCSA-N 1 1 308.382 -1.011 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001231701763 780382583 /nfs/dbraw/zinc/38/25/83/780382583.db2.gz RXOQGTLAVDTRKT-CQSZACIVSA-N 1 1 321.337 -1.189 20 0 DAADMO Cn1ncc(C(=O)NCCOCC[N@@H+](C)[C@H]2CCCNC2=O)n1 ZINC001277528256 780382708 /nfs/dbraw/zinc/38/27/08/780382708.db2.gz KEVLJPVXNWVREI-LBPRGKRZSA-N 1 1 324.385 -1.228 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H](C1)O2 ZINC001277525781 780382952 /nfs/dbraw/zinc/38/29/52/780382952.db2.gz WOLOAWMICOEJBI-HZSPNIEDSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H](C1)O2 ZINC001277525781 780382961 /nfs/dbraw/zinc/38/29/61/780382961.db2.gz WOLOAWMICOEJBI-HZSPNIEDSA-N 1 1 313.398 -1.125 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1CNC(=O)N1)C[C@H]1CCOC1 ZINC001277521044 780383565 /nfs/dbraw/zinc/38/35/65/780383565.db2.gz QWLNVWORYQWGGY-VXGBXAGGSA-N 1 1 314.386 -1.231 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@@H]1CCCN1C(N)=O)CC(N)=O ZINC001277542819 780383761 /nfs/dbraw/zinc/38/37/61/780383761.db2.gz ZEWZXHAQHMKUPJ-JTQLQIEISA-N 1 1 315.374 -1.921 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CCCN1C(N)=O)CC(N)=O ZINC001277542819 780383770 /nfs/dbraw/zinc/38/37/70/780383770.db2.gz ZEWZXHAQHMKUPJ-JTQLQIEISA-N 1 1 315.374 -1.921 20 0 DAADMO CNC(=O)CN(C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001277514962 780384071 /nfs/dbraw/zinc/38/40/71/780384071.db2.gz QBKUSCKFMNELQL-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](C[C@H]1COCCO1)C2 ZINC001277524064 780384706 /nfs/dbraw/zinc/38/47/06/780384706.db2.gz DGVJYFHDXMPCSV-NSHDSACASA-N 1 1 307.354 -1.012 20 0 DAADMO C[NH+](C)CCN1CCO[C@H]2CN(CCS(C)(=O)=O)C[C@H]21 ZINC001277588853 780384903 /nfs/dbraw/zinc/38/49/03/780384903.db2.gz SFFRIFDNQMWDIQ-OLZOCXBDSA-N 1 1 305.444 -1.022 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC001231774056 780385975 /nfs/dbraw/zinc/38/59/75/780385975.db2.gz PBBGLGAKFMWNFT-LLVKDONJSA-N 1 1 311.338 -1.152 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cc[n+]([O-])cc1)CC(=O)NC(N)=O ZINC001233571268 780390205 /nfs/dbraw/zinc/39/02/05/780390205.db2.gz KGNZPWOFAZFUSM-UHFFFAOYSA-N 1 1 309.326 -1.433 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCNC(=O)CNC(N)=O)CS(C)(=O)=O ZINC001233721402 780392154 /nfs/dbraw/zinc/39/21/54/780392154.db2.gz CXIOPCBKLWNNLP-JTQLQIEISA-N 1 1 322.431 -1.227 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)[C@H]1CCC(=O)NC1=O ZINC001233751037 780392253 /nfs/dbraw/zinc/39/22/53/780392253.db2.gz NXQXJTPUXUHETR-VIFPVBQESA-N 1 1 309.330 -2.084 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@H]1CCc2ncnn21 ZINC001233714317 780392779 /nfs/dbraw/zinc/39/27/79/780392779.db2.gz YXKCLNFETUFDQK-SNVBAGLBSA-N 1 1 309.374 -1.128 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233713171 780392862 /nfs/dbraw/zinc/39/28/62/780392862.db2.gz KVZBXFZOCQKZLI-UHFFFAOYSA-N 1 1 301.391 -1.135 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233712879 780393041 /nfs/dbraw/zinc/39/30/41/780393041.db2.gz FJSKVYAQJNKSTF-UHFFFAOYSA-N 1 1 316.406 -1.200 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)[C@@H]1CCC(=O)NC1=O ZINC001233751030 780393303 /nfs/dbraw/zinc/39/33/03/780393303.db2.gz NXQXJTPUXUHETR-SECBINFHSA-N 1 1 309.330 -2.084 20 0 DAADMO COCCOC[C@H](O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233712856 780393428 /nfs/dbraw/zinc/39/34/28/780393428.db2.gz DYVYFORSNRFCEL-LLVKDONJSA-N 1 1 320.390 -1.883 20 0 DAADMO C[N@H+](CCCNC(=O)CNC(N)=O)CC(=O)Nc1cnccn1 ZINC001233706415 780393696 /nfs/dbraw/zinc/39/36/96/780393696.db2.gz WLMDTIURUBPYFD-UHFFFAOYSA-N 1 1 323.357 -1.479 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CC(=O)Nc1cnccn1 ZINC001233706415 780393702 /nfs/dbraw/zinc/39/37/02/780393702.db2.gz WLMDTIURUBPYFD-UHFFFAOYSA-N 1 1 323.357 -1.479 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CCN1C(=O)CNC1=O ZINC001233723452 780393916 /nfs/dbraw/zinc/39/39/16/780393916.db2.gz ZEWMQAJQBNKMIA-UHFFFAOYSA-N 1 1 314.346 -2.355 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CCN1C(=O)CCC1=O ZINC001233723107 780393956 /nfs/dbraw/zinc/39/39/56/780393956.db2.gz WEFGDPAFMPSDLQ-UHFFFAOYSA-N 1 1 313.358 -1.758 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233750040 780394028 /nfs/dbraw/zinc/39/40/28/780394028.db2.gz GHVZKOAVTKJGFH-UHFFFAOYSA-N 1 1 311.390 -1.117 20 0 DAADMO COCCOCC[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233752022 780395990 /nfs/dbraw/zinc/39/59/90/780395990.db2.gz YHTWBAJSEKWROY-UHFFFAOYSA-N 1 1 300.363 -1.226 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846349 780396591 /nfs/dbraw/zinc/39/65/91/780396591.db2.gz GBPHXAWIWISNNP-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)CN1CN=NC1=O ZINC001233846349 780396600 /nfs/dbraw/zinc/39/66/00/780396600.db2.gz GBPHXAWIWISNNP-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847090 780396641 /nfs/dbraw/zinc/39/66/41/780396641.db2.gz MHOJPSHQEHUBGH-QWRGUYRKSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847090 780396648 /nfs/dbraw/zinc/39/66/48/780396648.db2.gz MHOJPSHQEHUBGH-QWRGUYRKSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847092 780397090 /nfs/dbraw/zinc/39/70/90/780397090.db2.gz MHOJPSHQEHUBGH-WDEREUQCSA-N 1 1 324.385 -1.007 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CN=NC1=O ZINC001233847092 780397100 /nfs/dbraw/zinc/39/71/00/780397100.db2.gz MHOJPSHQEHUBGH-WDEREUQCSA-N 1 1 324.385 -1.007 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001233857803 780400009 /nfs/dbraw/zinc/40/00/09/780400009.db2.gz UYYPEXBCHJOURU-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001233857803 780400015 /nfs/dbraw/zinc/40/00/15/780400015.db2.gz UYYPEXBCHJOURU-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cncn1)[C@H]1CCC(=O)NC1=O ZINC001234021177 780403150 /nfs/dbraw/zinc/40/31/50/780403150.db2.gz UYKAKZFWEJFPJC-NSHDSACASA-N 1 1 322.369 -1.089 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@@H+](C)CCNS(C)(=O)=O ZINC001234180683 780404580 /nfs/dbraw/zinc/40/45/80/780404580.db2.gz JNXLKWMIVHHMSR-UHFFFAOYSA-N 1 1 322.431 -1.548 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)Cn1ncnn1 ZINC001234367248 780405210 /nfs/dbraw/zinc/40/52/10/780405210.db2.gz RRSNTPIYNUDVOT-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)Cn1ncnn1 ZINC001234367248 780405216 /nfs/dbraw/zinc/40/52/16/780405216.db2.gz RRSNTPIYNUDVOT-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234357453 780405308 /nfs/dbraw/zinc/40/53/08/780405308.db2.gz RRJUVINMQMUHBJ-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)Cn1ncnn1 ZINC001234357453 780405316 /nfs/dbraw/zinc/40/53/16/780405316.db2.gz RRJUVINMQMUHBJ-NSHDSACASA-N 1 1 322.373 -1.769 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001234285667 780406327 /nfs/dbraw/zinc/40/63/27/780406327.db2.gz HSRXNOPGVBPUKS-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377705 780407564 /nfs/dbraw/zinc/40/75/64/780407564.db2.gz HKICCMCLSPCGOM-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377705 780407570 /nfs/dbraw/zinc/40/75/70/780407570.db2.gz HKICCMCLSPCGOM-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cnsn1)CC(=O)NC(N)=O ZINC001234453396 780408224 /nfs/dbraw/zinc/40/82/24/780408224.db2.gz RGUYVQNERLOPCP-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(=O)C1CC1)[C@H]1CCC(=O)NC1=O ZINC001234390868 780408609 /nfs/dbraw/zinc/40/86/09/780408609.db2.gz PNXXXYFKIUHCJK-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234415742 780408719 /nfs/dbraw/zinc/40/87/19/780408719.db2.gz UXCXYRUSWCTCAS-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO COC(=O)CC[NH+]1CC2(CN(C(=O)Cn3cccnc3=O)C2)C1 ZINC001277864107 780411007 /nfs/dbraw/zinc/41/10/07/780411007.db2.gz OCFHTXMPYUHQNF-UHFFFAOYSA-N 1 1 320.349 -1.049 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235008414 780414058 /nfs/dbraw/zinc/41/40/58/780414058.db2.gz SQIGNPAJFIRNGV-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](O)COC ZINC001235051443 780414808 /nfs/dbraw/zinc/41/48/08/780414808.db2.gz KXCUQPJLUZXBCL-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+]2C1CC1 ZINC001277918945 780415417 /nfs/dbraw/zinc/41/54/17/780415417.db2.gz BWFFYOZTEGOOBK-BBDLJKNJSA-N 1 1 314.338 -2.766 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001235525968 780415981 /nfs/dbraw/zinc/41/59/81/780415981.db2.gz MRHFOIKGEIRLRM-DTWKUNHWSA-N 1 1 314.342 -1.572 20 0 DAADMO CN(C[C@@H]1CCN1CC(N)=O)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235304682 780416012 /nfs/dbraw/zinc/41/60/12/780416012.db2.gz UCZNFVJJSCJGBW-STQMWFEESA-N 1 1 322.413 -1.169 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cccnc1=O ZINC001277954336 780416072 /nfs/dbraw/zinc/41/60/72/780416072.db2.gz BILDKGVIFPULKE-XQQFMLRXSA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H](C1)O2 ZINC001277955536 780418144 /nfs/dbraw/zinc/41/81/44/780418144.db2.gz RNRFKRCXBANWIT-UPJWGTAASA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H](C1)O2 ZINC001277955536 780418145 /nfs/dbraw/zinc/41/81/45/780418145.db2.gz RNRFKRCXBANWIT-UPJWGTAASA-N 1 1 322.365 -1.464 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235766230 780418355 /nfs/dbraw/zinc/41/83/55/780418355.db2.gz HMNHNOIYWUVQBF-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235745850 780418388 /nfs/dbraw/zinc/41/83/88/780418388.db2.gz QJZPFZLQTIYEFJ-SECBINFHSA-N 1 1 313.358 -1.841 20 0 DAADMO NC(=O)[C@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CCN1 ZINC001235754431 780418820 /nfs/dbraw/zinc/41/88/20/780418820.db2.gz NDBDPVBPRFBCPE-CYBMUJFWSA-N 1 1 305.382 -1.366 20 0 DAADMO COC(=O)[C@]1(N)CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236274177 780419881 /nfs/dbraw/zinc/41/98/81/780419881.db2.gz CSRGASKASCSZQE-KKSJPVRNSA-N 1 1 316.354 -1.200 20 0 DAADMO COC(=O)[C@]1(N)CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001236274177 780419886 /nfs/dbraw/zinc/41/98/86/780419886.db2.gz CSRGASKASCSZQE-KKSJPVRNSA-N 1 1 316.354 -1.200 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ncnn1C ZINC001277993753 780421212 /nfs/dbraw/zinc/42/12/12/780421212.db2.gz AEQMVGJCJCGUHP-SDDRHHMPSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@H]2CN(C(=O)c3ncnn3C)C[C@@H](C1)O2 ZINC001277993873 780421269 /nfs/dbraw/zinc/42/12/69/780421269.db2.gz FKDDRLCSPICXPL-SDDRHHMPSA-N 1 1 309.370 -1.031 20 0 DAADMO C[C@H](CO)C[N@@H+]1C[C@H]2CN(C(=O)c3ncnn3C)C[C@@H](C1)O2 ZINC001277993873 780421274 /nfs/dbraw/zinc/42/12/74/780421274.db2.gz FKDDRLCSPICXPL-SDDRHHMPSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001278010862 780421654 /nfs/dbraw/zinc/42/16/54/780421654.db2.gz AJQCBTARPPGWHV-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CN(CC(=O)N(C)C)CCO2)C1 ZINC001278010862 780421661 /nfs/dbraw/zinc/42/16/61/780421661.db2.gz AJQCBTARPPGWHV-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnnn1C ZINC001278010363 780421738 /nfs/dbraw/zinc/42/17/38/780421738.db2.gz PKEJWUJJZWLCAI-VIFPVBQESA-N 1 1 323.357 -1.704 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F)NC1CC1 ZINC001278105015 780428482 /nfs/dbraw/zinc/42/84/82/780428482.db2.gz DPLNEZBISJOGQM-QMMMGPOBSA-N 1 1 322.312 -2.287 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]CCO[C@@H]1CC1(F)F)c1cnn[nH]1 ZINC001278105754 780429320 /nfs/dbraw/zinc/42/93/20/780429320.db2.gz NRQOBADSKYTQTF-IONNQARKSA-N 1 1 305.285 -1.091 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCNC2=O)nn1 ZINC001278127710 780429593 /nfs/dbraw/zinc/42/95/93/780429593.db2.gz CZTXOGJORNLUQD-QWRGUYRKSA-N 1 1 323.353 -1.812 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001278155113 780432363 /nfs/dbraw/zinc/43/23/63/780432363.db2.gz MNSDYJZQWAUIMS-ABAIWWIYSA-N 1 1 321.381 -1.122 20 0 DAADMO O=C(NC[C@@H](CO)N[C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001278178392 780433981 /nfs/dbraw/zinc/43/39/81/780433981.db2.gz FSBCHLVYMMJIRJ-QWRGUYRKSA-N 1 1 324.381 -2.046 20 0 DAADMO [NH3+]CCNCCNS(=O)(=O)c1nc2nc(Cl)ccn2n1 ZINC001238837177 780439244 /nfs/dbraw/zinc/43/92/44/780439244.db2.gz AZXHSTXPALYLNK-UHFFFAOYSA-N 1 1 319.778 -1.396 20 0 DAADMO CCOC(=O)C1(NS(=O)(=O)CC2CC[NH2+]CC2)CNC1 ZINC001238786331 780439695 /nfs/dbraw/zinc/43/96/95/780439695.db2.gz VXEXYEGRQFUTPG-UHFFFAOYSA-N 1 1 305.400 -1.190 20 0 DAADMO CNC(=O)C1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001278349265 780445305 /nfs/dbraw/zinc/44/53/05/780445305.db2.gz DMVHOXMYODKKEW-CYBMUJFWSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278420935 780446624 /nfs/dbraw/zinc/44/66/24/780446624.db2.gz QCKGIUUUXRPMDK-GXFFZTMASA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@]1(NC(=O)C(N)=O)CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001278420935 780446627 /nfs/dbraw/zinc/44/66/27/780446627.db2.gz QCKGIUUUXRPMDK-GXFFZTMASA-N 1 1 317.411 -1.123 20 0 DAADMO C[C@@]1(NC(=O)CC(N)=O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001278375128 780446793 /nfs/dbraw/zinc/44/67/93/780446793.db2.gz OGUJHJMYAHWTSO-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO C[C@@]1(NC(=O)CC(N)=O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001278375128 780446799 /nfs/dbraw/zinc/44/67/99/780446799.db2.gz OGUJHJMYAHWTSO-LLVKDONJSA-N 1 1 306.388 -2.008 20 0 DAADMO COC(=O)[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039477 780447848 /nfs/dbraw/zinc/44/78/48/780447848.db2.gz MWWGFWOEGWJEHI-NWDGAFQWSA-N 1 1 301.387 -1.701 20 0 DAADMO COC(=O)[C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCN1 ZINC001246039476 780448307 /nfs/dbraw/zinc/44/83/07/780448307.db2.gz MWWGFWOEGWJEHI-NEPJUHHUSA-N 1 1 301.387 -1.701 20 0 DAADMO COC(=O)[C@]1(N)CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056444 780449575 /nfs/dbraw/zinc/44/95/75/780449575.db2.gz VPGUEGDCPBYALS-RISCZKNCSA-N 1 1 301.387 -1.572 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CCN1 ZINC001246140919 780450945 /nfs/dbraw/zinc/45/09/45/780450945.db2.gz HCMCGVUOMJDDKX-GARJFASQSA-N 1 1 317.411 -1.601 20 0 DAADMO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3c(n2)CNCCC3)CN1 ZINC001246132495 780451389 /nfs/dbraw/zinc/45/13/89/780451389.db2.gz LSRVUMICKSEYRJ-ZYHUDNBSSA-N 1 1 321.381 -1.270 20 0 DAADMO C[C@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CCOCCO)C1 ZINC001278433349 780451515 /nfs/dbraw/zinc/45/15/15/780451515.db2.gz JNHPYUUCGWJPST-ZDUSSCGKSA-N 1 1 312.374 -1.347 20 0 DAADMO Cc1cn(CC(=O)NCC[NH2+][C@@H]2CCCNC2)c(=O)[nH]c1=O ZINC001246306517 780452334 /nfs/dbraw/zinc/45/23/34/780452334.db2.gz WRKCWMCWZQAIMC-LLVKDONJSA-N 1 1 309.370 -1.285 20 0 DAADMO O=C([C@@H]1C[C@H](NC[C@H]2COCCN2)C[NH2+]1)N1CCSC1 ZINC001246278691 780452653 /nfs/dbraw/zinc/45/26/53/780452653.db2.gz MAAZHEKVENDXBP-SRVKXCTJSA-N 1 1 300.428 -1.172 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278437894 780452840 /nfs/dbraw/zinc/45/28/40/780452840.db2.gz KKOAZFUFQNZQQY-LKFCYVNXSA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001278437894 780452846 /nfs/dbraw/zinc/45/28/46/780452846.db2.gz KKOAZFUFQNZQQY-LKFCYVNXSA-N 1 1 320.353 -1.267 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278450598 780454025 /nfs/dbraw/zinc/45/40/25/780454025.db2.gz RIJJKUXSLBRKOO-OTYXRUKQSA-N 1 1 310.354 -1.634 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001278450598 780454030 /nfs/dbraw/zinc/45/40/30/780454030.db2.gz RIJJKUXSLBRKOO-OTYXRUKQSA-N 1 1 310.354 -1.634 20 0 DAADMO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@@H]1C[NH2+]CCN1 ZINC001246491589 780454388 /nfs/dbraw/zinc/45/43/88/780454388.db2.gz UHSQVBJASOUIJV-NEPJUHHUSA-N 1 1 321.443 -1.106 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246627556 780455723 /nfs/dbraw/zinc/45/57/23/780455723.db2.gz NAVVWFIBKUZQIK-MQIPJXDCSA-N 1 1 322.409 -1.309 20 0 DAADMO C[C@@H]1C[C@H](NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC[NH2+]1 ZINC001246524125 780455754 /nfs/dbraw/zinc/45/57/54/780455754.db2.gz JQGCUSBFJJYDNA-DSAGSKJYSA-N 1 1 304.387 -1.439 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CCn3c(CNC(C)=O)nnc3C2)C[NH2+]1 ZINC001246745623 780457174 /nfs/dbraw/zinc/45/71/74/780457174.db2.gz FQGPXJGVSJFOFR-MNOVXSKESA-N 1 1 322.369 -1.367 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CCN(C(C)=O)C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246907336 780458091 /nfs/dbraw/zinc/45/80/91/780458091.db2.gz FHLAHRVPKRLBHQ-SRVKXCTJSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2Cc3cn(S(C)(=O)=O)nc3C2)C[NH2+]1 ZINC001246873178 780458458 /nfs/dbraw/zinc/45/84/58/780458458.db2.gz FHPBBJKISJSSAL-UWVGGRQHSA-N 1 1 314.367 -1.090 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CC(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC001278506671 780461219 /nfs/dbraw/zinc/46/12/19/780461219.db2.gz TZILCIXOVOQPGB-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CCOC(=O)CN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001251003411 780463808 /nfs/dbraw/zinc/46/38/08/780463808.db2.gz KYXZXAMTDDIAEH-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO CCOC(=O)CC1([NH2+]C[C@@H](O)CN2CCOCC2)COC1 ZINC001251036520 780464737 /nfs/dbraw/zinc/46/47/37/780464737.db2.gz JDAZWIVQSNHNKM-GFCCVEGCSA-N 1 1 302.371 -1.009 20 0 DAADMO CCOC[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC(=O)NC ZINC001252021502 780468705 /nfs/dbraw/zinc/46/87/05/780468705.db2.gz AIGIJVFEWVIIRJ-XQQFMLRXSA-N 1 1 301.387 -1.485 20 0 DAADMO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC001252057027 780468875 /nfs/dbraw/zinc/46/88/75/780468875.db2.gz AHZPZZRLEDJTST-OUCADQQQSA-N 1 1 302.371 -1.274 20 0 DAADMO CN1CCN(c2ncnc3c2CC[N@@H+](C[C@H](O)CO)CC3)CC1 ZINC001252059695 780469210 /nfs/dbraw/zinc/46/92/10/780469210.db2.gz HVRZYALQXDBQJG-ZDUSSCGKSA-N 1 1 321.425 -1.018 20 0 DAADMO O=C([C@H]1COC[C@H]2C[N@H+](C[C@H](O)CO)C[C@H]21)N1CCCO1 ZINC001252059022 780469441 /nfs/dbraw/zinc/46/94/41/780469441.db2.gz NLMUUTIDEHJMAV-XQHKEYJVSA-N 1 1 300.355 -1.302 20 0 DAADMO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](C[C@H](O)CO)C1 ZINC001252057355 780469449 /nfs/dbraw/zinc/46/94/49/780469449.db2.gz HHLKLDFUDHMMCI-YPMHNXCESA-N 1 1 312.370 -1.569 20 0 DAADMO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](C[C@H](O)CO)C1 ZINC001252057355 780469451 /nfs/dbraw/zinc/46/94/51/780469451.db2.gz HHLKLDFUDHMMCI-YPMHNXCESA-N 1 1 312.370 -1.569 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001252417779 780470317 /nfs/dbraw/zinc/47/03/17/780470317.db2.gz MZFCZUYYDCYWHO-LBPRGKRZSA-N 1 1 311.342 -1.346 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001252417779 780470323 /nfs/dbraw/zinc/47/03/23/780470323.db2.gz MZFCZUYYDCYWHO-LBPRGKRZSA-N 1 1 311.342 -1.346 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@@H](O)C(=O)OC)C[C@H]21 ZINC001252416616 780470528 /nfs/dbraw/zinc/47/05/28/780470528.db2.gz AIVFHWICDPJMJW-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H](O)C(=O)OC)C[C@H]21 ZINC001252416616 780470531 /nfs/dbraw/zinc/47/05/31/780470531.db2.gz AIVFHWICDPJMJW-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO NS(=O)(=O)CCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001252416935 780470620 /nfs/dbraw/zinc/47/06/20/780470620.db2.gz BJAYAOAIFKHZQX-WDEREUQCSA-N 1 1 320.415 -1.173 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001252419953 780471745 /nfs/dbraw/zinc/47/17/45/780471745.db2.gz FPEAHUKILIXJKA-NSHDSACASA-N 1 1 320.353 -1.085 20 0 DAADMO COC(=O)[C@@H](O)CN1CC[NH+](CCN2CCOCC2)CC1 ZINC001252419964 780471961 /nfs/dbraw/zinc/47/19/61/780471961.db2.gz FWWUTGWUQQMCOF-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO COC(=O)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001252452969 780472019 /nfs/dbraw/zinc/47/20/19/780472019.db2.gz SLYVXCOUXFOYJI-RYUDHWBXSA-N 1 1 323.349 -1.677 20 0 DAADMO COC(=O)[C@@H](O)C[N@@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252421973 780472085 /nfs/dbraw/zinc/47/20/85/780472085.db2.gz MYXWOSLTLLFGDE-GXTWGEPZSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252421973 780472091 /nfs/dbraw/zinc/47/20/91/780472091.db2.gz MYXWOSLTLLFGDE-GXTWGEPZSA-N 1 1 316.354 -1.530 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CCc2nnc(Cn3cccn3)n2CC1 ZINC001252419952 780472212 /nfs/dbraw/zinc/47/22/12/780472212.db2.gz FPEAHUKILIXJKA-LLVKDONJSA-N 1 1 320.353 -1.085 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001252818475 780473019 /nfs/dbraw/zinc/47/30/19/780473019.db2.gz QYHABKJJKLKNPL-REWJHTLYSA-N 1 1 314.382 -1.058 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001252818475 780473025 /nfs/dbraw/zinc/47/30/25/780473025.db2.gz QYHABKJJKLKNPL-REWJHTLYSA-N 1 1 314.382 -1.058 20 0 DAADMO CCN1C[C@@]23C[N@H+](C[C@H](O)COC)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001252814941 780473475 /nfs/dbraw/zinc/47/34/75/780473475.db2.gz HMZKMCKCMMIGLY-RNJOBUHISA-N 1 1 320.411 -1.129 20 0 DAADMO CCN1C[C@@]23C[N@@H+](C[C@H](O)COC)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001252814941 780473481 /nfs/dbraw/zinc/47/34/81/780473481.db2.gz HMZKMCKCMMIGLY-RNJOBUHISA-N 1 1 320.411 -1.129 20 0 DAADMO OCC(CO)(CO)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944646 780474308 /nfs/dbraw/zinc/47/43/08/780474308.db2.gz SSUKUMZZMHYBET-MRXNPFEDSA-N 1 1 310.394 -1.071 20 0 DAADMO OCC(CO)(CO)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944646 780474310 /nfs/dbraw/zinc/47/43/10/780474310.db2.gz SSUKUMZZMHYBET-MRXNPFEDSA-N 1 1 310.394 -1.071 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001253026558 780474419 /nfs/dbraw/zinc/47/44/19/780474419.db2.gz HZVQKKJCGWJRJO-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1cc[n+]([O-])cc1 ZINC001278717917 780475156 /nfs/dbraw/zinc/47/51/56/780475156.db2.gz AULZDQMQRNQWLO-CYBMUJFWSA-N 1 1 320.353 -1.329 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc[n+]([O-])cc2)[nH]1 ZINC001278718432 780475254 /nfs/dbraw/zinc/47/52/54/780475254.db2.gz DYLFNUNYRJDVRX-LBPRGKRZSA-N 1 1 320.353 -1.031 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278752857 780478481 /nfs/dbraw/zinc/47/84/81/780478481.db2.gz OUTBZONQOQHWOV-YGRLFVJLSA-N 1 1 313.354 -1.619 20 0 DAADMO COCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278752856 780479057 /nfs/dbraw/zinc/47/90/57/780479057.db2.gz OUTBZONQOQHWOV-QMTHXVAHSA-N 1 1 313.354 -1.619 20 0 DAADMO CCNC(=O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001278751245 780479396 /nfs/dbraw/zinc/47/93/96/780479396.db2.gz YCKUWDNHHCRNFU-LLVKDONJSA-N 1 1 312.374 -1.750 20 0 DAADMO CC[NH+](CC)Cc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1 ZINC001254113363 780481720 /nfs/dbraw/zinc/48/17/20/780481720.db2.gz MKHZSOWUGCSFDK-KSSYENDESA-N 1 1 316.358 -2.080 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCCO)C1 ZINC001278766327 780484200 /nfs/dbraw/zinc/48/42/00/780484200.db2.gz IVIGRIJZQJOTCY-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCCO)C1 ZINC001278766327 780484205 /nfs/dbraw/zinc/48/42/05/780484205.db2.gz IVIGRIJZQJOTCY-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CCOC(=O)CN1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001254401475 780486412 /nfs/dbraw/zinc/48/64/12/780486412.db2.gz NYDSZRMKIHDNKO-RDBSUJKOSA-N 1 1 312.418 -1.994 20 0 DAADMO CC[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCNC1=O ZINC001278787955 780487545 /nfs/dbraw/zinc/48/75/45/780487545.db2.gz YGUXMVPPTCTVCH-GJZGRUSLSA-N 1 1 313.398 -1.162 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278786733 780487581 /nfs/dbraw/zinc/48/75/81/780487581.db2.gz HFOSXIGEEKAKMF-YGRLFVJLSA-N 1 1 317.386 -1.942 20 0 DAADMO CC[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)CCNC1=O ZINC001278787954 780487917 /nfs/dbraw/zinc/48/79/17/780487917.db2.gz YGUXMVPPTCTVCH-CABCVRRESA-N 1 1 313.398 -1.162 20 0 DAADMO CC[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CCNC1=O ZINC001278787957 780488032 /nfs/dbraw/zinc/48/80/32/780488032.db2.gz YGUXMVPPTCTVCH-LSDHHAIUSA-N 1 1 313.398 -1.162 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001278787670 780488273 /nfs/dbraw/zinc/48/82/73/780488273.db2.gz ULTPWUUXJZFUSW-TVQRCGJNSA-N 1 1 316.333 -1.503 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)c1csnn1 ZINC001278796413 780488700 /nfs/dbraw/zinc/48/87/00/780488700.db2.gz ZMHGJFLLDKESRG-GFCCVEGCSA-N 1 1 316.383 -1.286 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001278794682 780488963 /nfs/dbraw/zinc/48/89/63/780488963.db2.gz FXNZXEKGMOEAEU-HFAKWTLXSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001278794683 780489569 /nfs/dbraw/zinc/48/95/69/780489569.db2.gz FXNZXEKGMOEAEU-UEKVPHQBSA-N 1 1 324.381 -1.253 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001278799800 780489924 /nfs/dbraw/zinc/48/99/24/780489924.db2.gz GVEJWFGDBKTISP-AWEZNQCLSA-N 1 1 310.354 -1.027 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)C(N)=O)n1C1CC1 ZINC001278798859 780490981 /nfs/dbraw/zinc/49/09/81/780490981.db2.gz VVSAYDJTVZTOJS-SNVBAGLBSA-N 1 1 310.358 -1.684 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@]2(O)CC[N@@H+](CC3CC3)C2)C1=O ZINC001278822486 780493451 /nfs/dbraw/zinc/49/34/51/780493451.db2.gz QKWYYQPFHGXPJQ-HNNXBMFYSA-N 1 1 324.381 -1.157 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@]2(O)CC[N@@H+](CC3CC3)C2)C1=O ZINC001278822487 780493947 /nfs/dbraw/zinc/49/39/47/780493947.db2.gz QKWYYQPFHGXPJQ-OAHLLOKOSA-N 1 1 324.381 -1.157 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001278844367 780496746 /nfs/dbraw/zinc/49/67/46/780496746.db2.gz FVBWXKDHUBZXAN-GXSJLCMTSA-N 1 1 324.337 -1.364 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)CC(N)=O ZINC001278849699 780496796 /nfs/dbraw/zinc/49/67/96/780496796.db2.gz INPMYCDFSXKOJG-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)CC(N)=O ZINC001278849699 780496802 /nfs/dbraw/zinc/49/68/02/780496802.db2.gz INPMYCDFSXKOJG-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001278859893 780497550 /nfs/dbraw/zinc/49/75/50/780497550.db2.gz KMWUHAMZZHVEPF-UWVGGRQHSA-N 1 1 300.359 -1.254 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001255596678 780500125 /nfs/dbraw/zinc/50/01/25/780500125.db2.gz UUDANYXUTISXHR-FIQHERPVSA-N 1 1 312.418 -1.012 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278874153 780500865 /nfs/dbraw/zinc/50/08/65/780500865.db2.gz UVVLDZLPIUNTIV-WPRPVWTQSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278874153 780500867 /nfs/dbraw/zinc/50/08/67/780500867.db2.gz UVVLDZLPIUNTIV-WPRPVWTQSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(CC(N)=O)nn2)CCCO1 ZINC001255847520 780503567 /nfs/dbraw/zinc/50/35/67/780503567.db2.gz VKFGSFQQRMBQFF-LLVKDONJSA-N 1 1 324.385 -1.006 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]2NCN[C@H]21 ZINC001255978278 780505016 /nfs/dbraw/zinc/50/50/16/780505016.db2.gz CAJLWHVUPQMLIV-AEJSXWLSSA-N 1 1 322.335 -1.468 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]2NCN[C@@H]21 ZINC001255978286 780505051 /nfs/dbraw/zinc/50/50/51/780505051.db2.gz CAJLWHVUPQMLIV-OPRDCNLKSA-N 1 1 322.335 -1.468 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025941 780506113 /nfs/dbraw/zinc/50/61/13/780506113.db2.gz OSONAURCQABZAM-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC001256025941 780506116 /nfs/dbraw/zinc/50/61/16/780506116.db2.gz OSONAURCQABZAM-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(c3ncccn3)CC2)[C@H]2NCN[C@H]21 ZINC001256053999 780506217 /nfs/dbraw/zinc/50/62/17/780506217.db2.gz MCAJAJAWKQTREC-YNEHKIRRSA-N 1 1 304.402 -1.562 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278926981 780508057 /nfs/dbraw/zinc/50/80/57/780508057.db2.gz GZKUDSZKOVVJBE-UHFFFAOYSA-N 1 1 312.370 -1.253 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[C@@](F)(CO)C1 ZINC001256813989 780510167 /nfs/dbraw/zinc/51/01/67/780510167.db2.gz NLPCLKKPSKSDTF-AWEZNQCLSA-N 1 1 317.361 -1.242 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cnn(C)c2)C1 ZINC001256757786 780510897 /nfs/dbraw/zinc/51/08/97/780510897.db2.gz NUNIZMCJOJVUAZ-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO CS(=O)(=O)N1CCC([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001257240040 780512873 /nfs/dbraw/zinc/51/28/73/780512873.db2.gz NABNXJFPMZSVTA-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO CS(=O)(=O)N1CCC([N@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001257240040 780512876 /nfs/dbraw/zinc/51/28/76/780512876.db2.gz NABNXJFPMZSVTA-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCO1)[C@H]1C[N@H+](C)CCO1 ZINC001257292856 780513043 /nfs/dbraw/zinc/51/30/43/780513043.db2.gz WTMMSVHJRYUTLU-SDDRHHMPSA-N 1 1 315.370 -1.647 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1COCCO1)[C@H]1C[N@@H+](C)CCO1 ZINC001257292856 780513048 /nfs/dbraw/zinc/51/30/48/780513048.db2.gz WTMMSVHJRYUTLU-SDDRHHMPSA-N 1 1 315.370 -1.647 20 0 DAADMO CS(=O)(=O)N1CCC([N@@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001257240039 780513097 /nfs/dbraw/zinc/51/30/97/780513097.db2.gz NABNXJFPMZSVTA-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO CS(=O)(=O)N1CCC([N@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001257240039 780513099 /nfs/dbraw/zinc/51/30/99/780513099.db2.gz NABNXJFPMZSVTA-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC001257382467 780514477 /nfs/dbraw/zinc/51/44/77/780514477.db2.gz JHHYKIKBXQUXIA-LLVKDONJSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC001257383670 780514851 /nfs/dbraw/zinc/51/48/51/780514851.db2.gz WHFJQIOKWPNZLJ-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cnn(C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001257383670 780514858 /nfs/dbraw/zinc/51/48/58/780514858.db2.gz WHFJQIOKWPNZLJ-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO NC(=O)c1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)on1 ZINC001257472543 780514959 /nfs/dbraw/zinc/51/49/59/780514959.db2.gz LGAQDEJLMMURMI-QMMMGPOBSA-N 1 1 321.337 -1.257 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNC(=O)CC1 ZINC001257596127 780515342 /nfs/dbraw/zinc/51/53/42/780515342.db2.gz PLSDMTCUMSANHW-NWDGAFQWSA-N 1 1 324.381 -1.686 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CCO1 ZINC001257581874 780516006 /nfs/dbraw/zinc/51/60/06/780516006.db2.gz URABOQPLCWCGFR-NSHDSACASA-N 1 1 324.337 -1.292 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C1=O)C[C@@H](C)O ZINC001279050737 780516279 /nfs/dbraw/zinc/51/62/79/780516279.db2.gz XLYQUZGEIQAAEA-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO NS(=O)(=O)Nc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001260074972 780528931 /nfs/dbraw/zinc/52/89/31/780528931.db2.gz WKUQLTJDTUAZFV-UHFFFAOYSA-N 1 1 302.360 -1.794 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)C[N@H+]1C1CC1 ZINC001261157099 780536947 /nfs/dbraw/zinc/53/69/47/780536947.db2.gz FWMKYXYQPWQVKP-OUAUKWLOSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001261203432 780539010 /nfs/dbraw/zinc/53/90/10/780539010.db2.gz ZTRNRCPVYPJTTP-QWRGUYRKSA-N 1 1 322.369 -1.189 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCN2CCCOCC2)CC1 ZINC001261436417 780541468 /nfs/dbraw/zinc/54/14/68/780541468.db2.gz AVPQBTIOZVFDLN-OAHLLOKOSA-N 1 1 300.447 -1.093 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CC(N)=O ZINC001281069197 780546481 /nfs/dbraw/zinc/54/64/81/780546481.db2.gz OITFRUOYTTWNQY-WDEREUQCSA-N 1 1 314.386 -1.672 20 0 DAADMO C[NH2+]C1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001261559021 780548222 /nfs/dbraw/zinc/54/82/22/780548222.db2.gz XWMQPIICFURCIT-QWHCGFSZSA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001261562903 780549931 /nfs/dbraw/zinc/54/99/31/780549931.db2.gz YHWNBTVJTQOCTF-DGCLKSJQSA-N 1 1 312.414 -1.280 20 0 DAADMO O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCOCC1 ZINC001261604101 780550167 /nfs/dbraw/zinc/55/01/67/780550167.db2.gz DFKSBXWOIKBNAQ-CYBMUJFWSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCOCCF)[C@@H]1C[N@H+](C)CCO1 ZINC001261734126 780555508 /nfs/dbraw/zinc/55/55/08/780555508.db2.gz PZHNCRSUOXILOH-MNOVXSKESA-N 1 1 305.350 -1.076 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCOCCF)[C@@H]1C[N@@H+](C)CCO1 ZINC001261734126 780555515 /nfs/dbraw/zinc/55/55/15/780555515.db2.gz PZHNCRSUOXILOH-MNOVXSKESA-N 1 1 305.350 -1.076 20 0 DAADMO C[C@H](C(=O)N(CCO)CCOCCO)N1CC[NH+](C)CC1 ZINC001261828710 780560904 /nfs/dbraw/zinc/56/09/04/780560904.db2.gz RYORBWWLRHJXPA-CYBMUJFWSA-N 1 1 303.403 -1.548 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001261827487 780560945 /nfs/dbraw/zinc/56/09/45/780560945.db2.gz AZJJVKMZLUUZCV-JTQLQIEISA-N 1 1 308.342 -1.483 20 0 DAADMO COc1cncc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)n1 ZINC001261828186 780561173 /nfs/dbraw/zinc/56/11/73/780561173.db2.gz BIMMZXCKIHAXNB-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ncccn1 ZINC001261916402 780563223 /nfs/dbraw/zinc/56/32/23/780563223.db2.gz QQYCUOBFNWBICO-UHFFFAOYSA-N 1 1 307.354 -1.069 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ncccn2)C1 ZINC001261928939 780564678 /nfs/dbraw/zinc/56/46/78/780564678.db2.gz ROUJBSVNXWHSKU-NSHDSACASA-N 1 1 307.354 -1.070 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC=C[C@@H]2CO)CC1 ZINC001262119400 780566942 /nfs/dbraw/zinc/56/69/42/780566942.db2.gz YDURQSMLKVVBMT-GFCCVEGCSA-N 1 1 324.381 -1.974 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC=C[C@H]2CO)CC1 ZINC001262119401 780566983 /nfs/dbraw/zinc/56/69/83/780566983.db2.gz YDURQSMLKVVBMT-LBPRGKRZSA-N 1 1 324.381 -1.974 20 0 DAADMO O=C(CSc1cccc[n+]1[O-])NC[C@@]1(CO)COCC[NH2+]1 ZINC001262185321 780568482 /nfs/dbraw/zinc/56/84/82/780568482.db2.gz KYXRYSMMKPQPMH-CYBMUJFWSA-N 1 1 313.379 -1.121 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001262293293 780569799 /nfs/dbraw/zinc/56/97/99/780569799.db2.gz UGBUFFZWBNCPHL-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001262293293 780569805 /nfs/dbraw/zinc/56/98/05/780569805.db2.gz UGBUFFZWBNCPHL-GHMZBOCLSA-N 1 1 310.354 -1.094 20 0 DAADMO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001262492130 780572236 /nfs/dbraw/zinc/57/22/36/780572236.db2.gz ADYHWQVXVLAJJE-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO C[NH+](C)CCN1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000384438191 780580340 /nfs/dbraw/zinc/58/03/40/780580340.db2.gz JNEFVEYRJFDJBF-HNNXBMFYSA-N 1 1 300.447 -1.141 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCO)CCOCCO ZINC001263866361 780580460 /nfs/dbraw/zinc/58/04/60/780580460.db2.gz LITYMCRSVMFEIT-OLZOCXBDSA-N 1 1 301.387 -1.796 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCO)CCOCCO ZINC001263866360 780580868 /nfs/dbraw/zinc/58/08/68/780580868.db2.gz LITYMCRSVMFEIT-CHWSQXEVSA-N 1 1 301.387 -1.796 20 0 DAADMO CN(CCOCC[N@H+](C)CC(=O)N1CCC1)C(=O)C(N)=O ZINC001264108265 780581474 /nfs/dbraw/zinc/58/14/74/780581474.db2.gz BDJNXFKRINZMLL-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(=O)N1CCC1)C(=O)C(N)=O ZINC001264108265 780581479 /nfs/dbraw/zinc/58/14/79/780581479.db2.gz BDJNXFKRINZMLL-UHFFFAOYSA-N 1 1 300.359 -1.889 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001264106026 780581560 /nfs/dbraw/zinc/58/15/60/780581560.db2.gz KNJIKXMHOOPMDV-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)CC(N)=O ZINC001264104942 780582342 /nfs/dbraw/zinc/58/23/42/780582342.db2.gz RCFWGERXFHTFGY-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001264393864 780584735 /nfs/dbraw/zinc/58/47/35/780584735.db2.gz OPAMGTPKNVPXRA-XKSSXDPKSA-N 1 1 322.325 -1.348 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001264632514 780586294 /nfs/dbraw/zinc/58/62/94/780586294.db2.gz MPTIBAKPNNKPLQ-CHWSQXEVSA-N 1 1 313.398 -1.210 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634414 780586343 /nfs/dbraw/zinc/58/63/43/780586343.db2.gz NKJPKSKWSWWXJH-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634414 780586349 /nfs/dbraw/zinc/58/63/49/780586349.db2.gz NKJPKSKWSWWXJH-NSHDSACASA-N 1 1 314.386 -1.765 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]([N@H+](CCO)CC(=O)N2CCC2)C1 ZINC001264635186 780586918 /nfs/dbraw/zinc/58/69/18/780586918.db2.gz XSVMZBWGAYCVDP-NSHDSACASA-N 1 1 312.370 -2.011 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]([N@@H+](CCO)CC(=O)N2CCC2)C1 ZINC001264635186 780586920 /nfs/dbraw/zinc/58/69/20/780586920.db2.gz XSVMZBWGAYCVDP-NSHDSACASA-N 1 1 312.370 -2.011 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001264662572 780587556 /nfs/dbraw/zinc/58/75/56/780587556.db2.gz IOSZZCXRXJSSHD-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCOCC1)CC(=O)NC(N)=O ZINC001264977564 780588282 /nfs/dbraw/zinc/58/82/82/780588282.db2.gz OOXQNEPATHVQSX-UHFFFAOYSA-N 1 1 315.374 -2.048 20 0 DAADMO C[N@@H+](CCCNC(=O)CC(N)=O)CC(=O)N1CCOCC1 ZINC001264973268 780588385 /nfs/dbraw/zinc/58/83/85/780588385.db2.gz PVYDTAFKBGPDGV-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)c1cc(=O)n(C)cn1 ZINC001264663252 780588672 /nfs/dbraw/zinc/58/86/72/780588672.db2.gz DNZUZISIJRABRL-UHFFFAOYSA-N 1 1 312.370 -1.207 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001264695012 780588709 /nfs/dbraw/zinc/58/87/09/780588709.db2.gz UKXZTZCZHJJECM-VWYCJHECSA-N 1 1 317.411 -1.125 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CC(N)=O)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001264695012 780588716 /nfs/dbraw/zinc/58/87/16/780588716.db2.gz UKXZTZCZHJJECM-VWYCJHECSA-N 1 1 317.411 -1.125 20 0 DAADMO CN(CCOCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001264662571 780588994 /nfs/dbraw/zinc/58/89/94/780588994.db2.gz IOSZZCXRXJSSHD-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO Cn1cc(C(=O)NCCC[N@@H+](C)CCN2C(=O)CNC2=O)nn1 ZINC001264982187 780589307 /nfs/dbraw/zinc/58/93/07/780589307.db2.gz HJYDRPCNWYTCAS-UHFFFAOYSA-N 1 1 323.357 -1.581 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)CN(C)S(C)(=O)=O ZINC001264992035 780589610 /nfs/dbraw/zinc/58/96/10/780589610.db2.gz KEFICUCQLBGOSF-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO COCC(=O)N(C)CC(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001264992101 780590213 /nfs/dbraw/zinc/59/02/13/780590213.db2.gz MDWYLBADNKVXBG-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001264992063 780590324 /nfs/dbraw/zinc/59/03/24/780590324.db2.gz KXTKDWMBBGRCKM-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CCCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001265021443 780590512 /nfs/dbraw/zinc/59/05/12/780590512.db2.gz PIASQKKJIBFMDD-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cnnn1C ZINC001264982034 780590892 /nfs/dbraw/zinc/59/08/92/780590892.db2.gz ZYQJYGULWHCELA-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO C[C@H](O)C[N@@H+](CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001265177068 780593268 /nfs/dbraw/zinc/59/32/68/780593268.db2.gz GLIAECGBSPJLNE-ONGXEEELSA-N 1 1 312.370 -1.064 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001265229095 780593291 /nfs/dbraw/zinc/59/32/91/780593291.db2.gz PSSTXTRICSXGDZ-LLVKDONJSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCCC[N@H+](CCO)C1CC1 ZINC001265164605 780593686 /nfs/dbraw/zinc/59/36/86/780593686.db2.gz NRQGESDLHZGOQW-UHFFFAOYSA-N 1 1 319.427 -1.015 20 0 DAADMO COCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001265222753 780593874 /nfs/dbraw/zinc/59/38/74/780593874.db2.gz KDMZUSFGPRNWLC-NEPJUHHUSA-N 1 1 314.386 -1.089 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265201321 780594199 /nfs/dbraw/zinc/59/41/99/780594199.db2.gz NCQANWYSPNAFFO-WDEREUQCSA-N 1 1 310.354 -1.492 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001265201321 780594205 /nfs/dbraw/zinc/59/42/05/780594205.db2.gz NCQANWYSPNAFFO-WDEREUQCSA-N 1 1 310.354 -1.492 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001265222811 780594449 /nfs/dbraw/zinc/59/44/49/780594449.db2.gz LKIWKRDHDDXWOP-GHMZBOCLSA-N 1 1 303.359 -1.924 20 0 DAADMO C[C@@H](O)C[N@@H+](CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001265177067 780594611 /nfs/dbraw/zinc/59/46/11/780594611.db2.gz GLIAECGBSPJLNE-KOLCDFICSA-N 1 1 312.370 -1.064 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001265238982 780595877 /nfs/dbraw/zinc/59/58/77/780595877.db2.gz XUSWFIPVWUHICM-UHFFFAOYSA-N 1 1 300.403 -1.419 20 0 DAADMO C[C@H](O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001265253681 780595908 /nfs/dbraw/zinc/59/59/08/780595908.db2.gz UQLFFQHKVUFLEM-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)CN1CC[NH+](CCCNC(=O)c2cccnn2)CC1 ZINC001265251619 780596219 /nfs/dbraw/zinc/59/62/19/780596219.db2.gz MSJGXPBFSNEWAD-UHFFFAOYSA-N 1 1 320.397 -1.040 20 0 DAADMO COCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001265317025 780599291 /nfs/dbraw/zinc/59/92/91/780599291.db2.gz IFMHNIGVYNRVEW-GHMZBOCLSA-N 1 1 305.400 -1.095 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001265301561 780599343 /nfs/dbraw/zinc/59/93/43/780599343.db2.gz NFWWBIGILPDHEI-QWRGUYRKSA-N 1 1 300.359 -1.479 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001265307960 780599638 /nfs/dbraw/zinc/59/96/38/780599638.db2.gz JFDMUDUSLMSWGY-QWRGUYRKSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001265317027 780599991 /nfs/dbraw/zinc/59/99/91/780599991.db2.gz IFMHNIGVYNRVEW-QWRGUYRKSA-N 1 1 305.400 -1.095 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)ccc1=O ZINC001265315291 780600042 /nfs/dbraw/zinc/60/00/42/780600042.db2.gz SVPVNUMTPXBAPP-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCOCCO)C1)[C@H]1CNC(=O)N1 ZINC001265591432 780606156 /nfs/dbraw/zinc/60/61/56/780606156.db2.gz UUPMGLDCEZNWMN-NWDGAFQWSA-N 1 1 314.386 -1.495 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001265719448 780607373 /nfs/dbraw/zinc/60/73/73/780607373.db2.gz CUKVJGFFJBJJDT-KVSVUVNWSA-N 1 1 311.382 -1.447 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001265719446 780607467 /nfs/dbraw/zinc/60/74/67/780607467.db2.gz CUKVJGFFJBJJDT-FHUSYTEZSA-N 1 1 311.382 -1.447 20 0 DAADMO Cc1nnc(NC(=O)C[NH2+][C@@H](C)CNC(=O)C(N)=O)s1 ZINC001265818165 780609126 /nfs/dbraw/zinc/60/91/26/780609126.db2.gz FNJCTHZOWXKRAS-YFKPBYRVSA-N 1 1 300.344 -1.635 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nccnc1N)[C@H]1CCC(=O)NC1=O ZINC001265817602 780609142 /nfs/dbraw/zinc/60/91/42/780609142.db2.gz UUVHKYFYXQPMGL-VIFPVBQESA-N 1 1 320.353 -1.084 20 0 DAADMO Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001265850897 780610003 /nfs/dbraw/zinc/61/00/03/780610003.db2.gz KFQBCVCVSAVBNL-QMMMGPOBSA-N 1 1 323.357 -1.399 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)Cn1ncnn1 ZINC001265849360 780610628 /nfs/dbraw/zinc/61/06/28/780610628.db2.gz YFJFTTISTNVVMA-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1ncnn1)[C@H]1CCC(=O)NC1=O ZINC001265848885 780610648 /nfs/dbraw/zinc/61/06/48/780610648.db2.gz RVOIKWCEEPEIEU-VIFPVBQESA-N 1 1 309.330 -2.084 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cn(C)nn1 ZINC001265836944 780610857 /nfs/dbraw/zinc/61/08/57/780610857.db2.gz BCFOMTZJUILSJA-QMMMGPOBSA-N 1 1 311.346 -1.550 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[NH2+]Cc1nnnn1C ZINC001265861154 780611236 /nfs/dbraw/zinc/61/12/36/780611236.db2.gz IYARREBIQLDOHY-QMMMGPOBSA-N 1 1 309.330 -2.047 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001265875908 780611605 /nfs/dbraw/zinc/61/16/05/780611605.db2.gz NJOBWCFLQZQRPL-BDAKNGLRSA-N 1 1 308.342 -1.538 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cn1ncn(C)c1=O ZINC001265879931 780612162 /nfs/dbraw/zinc/61/21/62/780612162.db2.gz AQWHBVMADDTPMF-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C)CC(N)=O ZINC001265902080 780613275 /nfs/dbraw/zinc/61/32/75/780613275.db2.gz IOCXGDDSPFQIKE-VIFPVBQESA-N 1 1 315.374 -1.608 20 0 DAADMO Cn1nnc(C(=O)NCCC[N@@H+](C)CCNC(=O)C2CC2)n1 ZINC001265906523 780613291 /nfs/dbraw/zinc/61/32/91/780613291.db2.gz GXCPBCQSQRDTRB-UHFFFAOYSA-N 1 1 309.374 -1.212 20 0 DAADMO COc1nc(C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001265894935 780613298 /nfs/dbraw/zinc/61/32/98/780613298.db2.gz GDKXBZJOHSLOMO-UHFFFAOYSA-N 1 1 313.314 -1.070 20 0 DAADMO CN(CC[N@@H+](C)CCCNC(=O)c1cn[nH]n1)S(C)(=O)=O ZINC001265882895 780613442 /nfs/dbraw/zinc/61/34/42/780613442.db2.gz PPGQHUCGMPXKGJ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(CC[N@H+](C)CCCNC(=O)c1cnn[nH]1)S(C)(=O)=O ZINC001265882895 780613446 /nfs/dbraw/zinc/61/34/46/780613446.db2.gz PPGQHUCGMPXKGJ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(CC[N@@H+](C)CCCNC(=O)c1cnn[nH]1)S(C)(=O)=O ZINC001265882895 780613449 /nfs/dbraw/zinc/61/34/49/780613449.db2.gz PPGQHUCGMPXKGJ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)CCCN1C(=O)CNC1=O ZINC001265940842 780614551 /nfs/dbraw/zinc/61/45/51/780614551.db2.gz MXFIVCLKDKBACN-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[N@H+](CCCNC(=O)c1ncn[nH]1)CCCN1C(=O)CNC1=O ZINC001265940842 780614557 /nfs/dbraw/zinc/61/45/57/780614557.db2.gz MXFIVCLKDKBACN-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ncn[nH]1)CCCN1C(=O)CNC1=O ZINC001265940842 780614563 /nfs/dbraw/zinc/61/45/63/780614563.db2.gz MXFIVCLKDKBACN-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[N@H+](CCCNC(=O)c1nc[nH]n1)CCCN1C(=O)CNC1=O ZINC001265940842 780614567 /nfs/dbraw/zinc/61/45/67/780614567.db2.gz MXFIVCLKDKBACN-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[N@@H+](CCCNC(=O)c1nc[nH]n1)CCCN1C(=O)CNC1=O ZINC001265940842 780614572 /nfs/dbraw/zinc/61/45/72/780614572.db2.gz MXFIVCLKDKBACN-UHFFFAOYSA-N 1 1 323.357 -1.202 20 0 DAADMO C[N@@H+](CCCNC(=O)CCn1cnnn1)[C@@H]1CCCNC1=O ZINC001265944258 780614627 /nfs/dbraw/zinc/61/46/27/780614627.db2.gz BRAQHYDOPISWQH-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001265938957 780614685 /nfs/dbraw/zinc/61/46/85/780614685.db2.gz SCTVIKLHTIVURN-NSHDSACASA-N 1 1 324.381 -1.292 20 0 DAADMO CN1CC[C@H](C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)C1=O ZINC001265906809 780614800 /nfs/dbraw/zinc/61/48/00/780614800.db2.gz RINIVKSJNXYPEP-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001265916134 780614948 /nfs/dbraw/zinc/61/49/48/780614948.db2.gz IIEDMGBHQQUYED-QMMMGPOBSA-N 1 1 316.312 -1.113 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001265973863 780615565 /nfs/dbraw/zinc/61/55/65/780615565.db2.gz CAVANTJPYDDYDI-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCNC(=O)CN1C(=O)CNC1=O ZINC001265968567 780615767 /nfs/dbraw/zinc/61/57/67/780615767.db2.gz DFHJOBVAUIPONC-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)CN1C(=O)CNC1=O ZINC001265968996 780615826 /nfs/dbraw/zinc/61/58/26/780615826.db2.gz VWBRQIUUVNLYGL-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)Cn1ccnc1 ZINC001265983897 780616076 /nfs/dbraw/zinc/61/60/76/780616076.db2.gz GITNKDVNWKXMMM-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)CCCNC(=O)c1cn(C)c(=O)n1C ZINC001265980998 780616405 /nfs/dbraw/zinc/61/64/05/780616405.db2.gz DPWRBAZLBDXTKB-UHFFFAOYSA-N 1 1 311.386 -1.136 20 0 DAADMO CC[N@@H+](CCCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)N(C)C ZINC001266069928 780618154 /nfs/dbraw/zinc/61/81/54/780618154.db2.gz HALMASYBVKOZIU-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC[N@@H+](CCCNC(=O)CNC(=O)NC)[C@H]1CCN(C)C1=O ZINC001266048924 780618559 /nfs/dbraw/zinc/61/85/59/780618559.db2.gz AUGLJKSVJIGWOG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCCC[C@@H]1CCC[N@@H+]1CCO ZINC001266229014 780619513 /nfs/dbraw/zinc/61/95/13/780619513.db2.gz QJROGTQAWVRAMV-CYBMUJFWSA-N 1 1 312.414 -1.229 20 0 DAADMO C[C@@H](CCNC(=O)Cc1nnc[nH]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266182506 780620521 /nfs/dbraw/zinc/62/05/21/780620521.db2.gz JNQUVJRISPBLAU-IUCAKERBSA-N 1 1 308.342 -1.363 20 0 DAADMO CCNC(=O)CC(=O)N[C@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001279480080 780622965 /nfs/dbraw/zinc/62/29/65/780622965.db2.gz OGMHOKGSOSXJHI-SMDDNHRTSA-N 1 1 301.387 -1.164 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2CCC[C@@](CO)(NC(=O)C(N)=O)C2)n1 ZINC001279508177 780623075 /nfs/dbraw/zinc/62/30/75/780623075.db2.gz BHBSSTBRWIKMHA-OAHLLOKOSA-N 1 1 323.397 -1.072 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CCC[C@@](CO)(NC(=O)C(N)=O)C2)n1 ZINC001279508177 780623079 /nfs/dbraw/zinc/62/30/79/780623079.db2.gz BHBSSTBRWIKMHA-OAHLLOKOSA-N 1 1 323.397 -1.072 20 0 DAADMO CCOCC[N@H+]1CCC[C@@](CO)(NC(=O)CNC(=O)NC)C1 ZINC001279488846 780623169 /nfs/dbraw/zinc/62/31/69/780623169.db2.gz AGMZGUUFZQXJTN-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO CCOCC[N@H+]1CCC[C@](CO)(NC(=O)CNC(=O)NC)C1 ZINC001279488845 780623174 /nfs/dbraw/zinc/62/31/74/780623174.db2.gz AGMZGUUFZQXJTN-AWEZNQCLSA-N 1 1 316.402 -1.105 20 0 DAADMO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2)nn1C ZINC001279672115 780623876 /nfs/dbraw/zinc/62/38/76/780623876.db2.gz CFNUJMLQMKNBDF-CYBMUJFWSA-N 1 1 323.397 -1.082 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)C1CC(=O)NC(=O)C1 ZINC001279520106 780623950 /nfs/dbraw/zinc/62/39/50/780623950.db2.gz WPYKKUWSJVYFOA-CQSZACIVSA-N 1 1 313.354 -2.025 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2)n1 ZINC001279672491 780624438 /nfs/dbraw/zinc/62/44/38/780624438.db2.gz JFGSDPTYUAOTSO-GFCCVEGCSA-N 1 1 309.370 -1.391 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC1=CC[N@H+](CCF)CC1 ZINC001279591262 780624522 /nfs/dbraw/zinc/62/45/22/780624522.db2.gz KIWWBEPRWXJMIJ-UHFFFAOYSA-N 1 1 314.361 -1.044 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC1=CC[N@@H+](CCF)CC1 ZINC001279591262 780624528 /nfs/dbraw/zinc/62/45/28/780624528.db2.gz KIWWBEPRWXJMIJ-UHFFFAOYSA-N 1 1 314.361 -1.044 20 0 DAADMO Cn1cc(CC(=O)N(CCO)CC[NH2+]Cc2nnnn2C)cn1 ZINC001279673651 780624538 /nfs/dbraw/zinc/62/45/38/780624538.db2.gz XIIXOXOTHYRVCO-UHFFFAOYSA-N 1 1 322.373 -1.903 20 0 DAADMO C[C@H](C(=O)N(CCO)CC[NH2+]Cc1nnnn1C)n1cccn1 ZINC001279660799 780624713 /nfs/dbraw/zinc/62/47/13/780624713.db2.gz QLYNFCSZOMUUEY-LLVKDONJSA-N 1 1 322.373 -1.422 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@@H+](CCOCCO)CC2)n1 ZINC001279615952 780624913 /nfs/dbraw/zinc/62/49/13/780624913.db2.gz ZDTYSSDSXQMPKR-UHFFFAOYSA-N 1 1 310.358 -1.419 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001279621536 780624939 /nfs/dbraw/zinc/62/49/39/780624939.db2.gz HEIPHOSWNKARJK-LBPRGKRZSA-N 1 1 323.397 -1.059 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001279621536 780624943 /nfs/dbraw/zinc/62/49/43/780624943.db2.gz HEIPHOSWNKARJK-LBPRGKRZSA-N 1 1 323.397 -1.059 20 0 DAADMO Cc1nonc1C[NH2+]CCN(CCO)C(=O)c1cnn(C)c1N ZINC001279695966 780625930 /nfs/dbraw/zinc/62/59/30/780625930.db2.gz XZNPGFMRBLJSHB-UHFFFAOYSA-N 1 1 323.357 -1.082 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001279687169 780626054 /nfs/dbraw/zinc/62/60/54/780626054.db2.gz GXVUMGBNDDBWDY-GFCCVEGCSA-N 1 1 323.397 -1.119 20 0 DAADMO Cn1cc(C(=O)N(CCO)CC[NH2+]Cc2nncn2C)nn1 ZINC001279704791 780626118 /nfs/dbraw/zinc/62/61/18/780626118.db2.gz DVQMMCNTLWMZJL-UHFFFAOYSA-N 1 1 308.346 -1.832 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNCc1cn(C)nn1 ZINC001279764183 780627100 /nfs/dbraw/zinc/62/71/00/780627100.db2.gz SEQHABCPOOLOJD-UHFFFAOYSA-N 1 1 321.385 -1.069 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1C ZINC001279800831 780627285 /nfs/dbraw/zinc/62/72/85/780627285.db2.gz NEPGBJRPBGZSAF-LLVKDONJSA-N 1 1 324.385 -1.654 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)Cc1nnc[nH]1 ZINC001279879057 780628772 /nfs/dbraw/zinc/62/87/72/780628772.db2.gz RJIAKRMQDZVUNV-UHFFFAOYSA-N 1 1 308.346 -1.914 20 0 DAADMO Cn1ncc(C[NH2+]CCN(CCO)C(=O)Cn2ccnc2)n1 ZINC001279919370 780629865 /nfs/dbraw/zinc/62/98/65/780629865.db2.gz GPAHDCZIZVVTKI-UHFFFAOYSA-N 1 1 307.358 -1.378 20 0 DAADMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)NC(=O)C(N)=O ZINC001280334398 780632186 /nfs/dbraw/zinc/63/21/86/780632186.db2.gz YRMBANQVBJBVFZ-ZJUUUORDSA-N 1 1 300.359 -1.797 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001280580860 780639364 /nfs/dbraw/zinc/63/93/64/780639364.db2.gz LNGRXPFTUYJHOH-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280710319 780642891 /nfs/dbraw/zinc/64/28/91/780642891.db2.gz REUXOZNPCSIXAU-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001280715508 780643170 /nfs/dbraw/zinc/64/31/70/780643170.db2.gz XUOLCUPSDZYFCI-NEPJUHHUSA-N 1 1 324.381 -1.102 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CCOCCO)CC1 ZINC001280734923 780644119 /nfs/dbraw/zinc/64/41/19/780644119.db2.gz ZYXAPBFTGDXQMN-LBPRGKRZSA-N 1 1 312.374 -1.347 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCOCCCNC(=O)C(N)=O)C1 ZINC001280942967 780649287 /nfs/dbraw/zinc/64/92/87/780649287.db2.gz HOCJVRWOUMHYSG-NSHDSACASA-N 1 1 314.386 -1.547 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044484 780653242 /nfs/dbraw/zinc/65/32/42/780653242.db2.gz DPKIMWJBDKNDBM-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044484 780653244 /nfs/dbraw/zinc/65/32/44/780653244.db2.gz DPKIMWJBDKNDBM-VHSXEESVSA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044483 780653709 /nfs/dbraw/zinc/65/37/09/780653709.db2.gz DPKIMWJBDKNDBM-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)C1 ZINC001281044483 780653715 /nfs/dbraw/zinc/65/37/15/780653715.db2.gz DPKIMWJBDKNDBM-UWVGGRQHSA-N 1 1 300.359 -1.845 20 0 DAADMO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001281108197 780663175 /nfs/dbraw/zinc/66/31/75/780663175.db2.gz XMCCTBSXSIFBHW-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO NC(=O)C(=O)NC[C@@H](CO)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001281109781 780664285 /nfs/dbraw/zinc/66/42/85/780664285.db2.gz AVQBDNVDLDPGFK-VIFPVBQESA-N 1 1 323.353 -2.160 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001281245091 780672299 /nfs/dbraw/zinc/67/22/99/780672299.db2.gz GKMQMIPZPYQEAP-SNVBAGLBSA-N 1 1 316.402 -1.472 20 0 DAADMO O=C(NC1(C[NH2+]CCOCCO)CCOCC1)c1cnn[nH]1 ZINC001281254722 780673269 /nfs/dbraw/zinc/67/32/69/780673269.db2.gz YUJKEYAHTFIBIQ-UHFFFAOYSA-N 1 1 313.358 -1.318 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(N)=O)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001281265751 780675473 /nfs/dbraw/zinc/67/54/73/780675473.db2.gz ZDGVNERSBQWCPB-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)C1 ZINC001281275054 780677731 /nfs/dbraw/zinc/67/77/31/780677731.db2.gz WQHXIJUFFAGVDA-ZJUUUORDSA-N 1 1 300.359 -2.251 20 0 DAADMO COCCN(CCNC(=O)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001281321163 780678150 /nfs/dbraw/zinc/67/81/50/780678150.db2.gz CEPDPPHCJNUYMX-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001281486963 780684444 /nfs/dbraw/zinc/68/44/44/780684444.db2.gz ZZZQFQLSTSZNEP-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001281486963 780684449 /nfs/dbraw/zinc/68/44/49/780684449.db2.gz ZZZQFQLSTSZNEP-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001281650810 780688820 /nfs/dbraw/zinc/68/88/20/780688820.db2.gz RGQNPGIBBJEOLZ-GMTAPVOTSA-N 1 1 312.370 -2.109 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001281818365 780692887 /nfs/dbraw/zinc/69/28/87/780692887.db2.gz ZHXRKCKLTZAOCF-UHFFFAOYSA-N 1 1 300.359 -2.061 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001281926705 780697981 /nfs/dbraw/zinc/69/79/81/780697981.db2.gz QLYNNLOMKYUSAK-VWYCJHECSA-N 1 1 324.381 -1.966 20 0 DAADMO C[C@@H](NC(=O)Cc1cnc[nH]1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001282192116 780702276 /nfs/dbraw/zinc/70/22/76/780702276.db2.gz KHQKXKYBHSDQFL-NXEZZACHSA-N 1 1 317.415 -1.016 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)[NH2+]Cc1ncnn1C ZINC001282230903 780703818 /nfs/dbraw/zinc/70/38/18/780703818.db2.gz ZEPDRDRBCGDIMI-DTWKUNHWSA-N 1 1 323.357 -1.650 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[N@H+](C)Cc1cncn1C ZINC001282397567 780705065 /nfs/dbraw/zinc/70/50/65/780705065.db2.gz GLYSHMNWDUARIH-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)[N@@H+](C)Cc1cncn1C ZINC001282397567 780705075 /nfs/dbraw/zinc/70/50/75/780705075.db2.gz GLYSHMNWDUARIH-KOLCDFICSA-N 1 1 322.369 -1.045 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001282378540 780705158 /nfs/dbraw/zinc/70/51/58/780705158.db2.gz RVOHAPJDXDDZSK-IUCAKERBSA-N 1 1 315.374 -1.468 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001282443102 780709000 /nfs/dbraw/zinc/70/90/00/780709000.db2.gz DWGSCPKOLABVSO-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001282545689 780712296 /nfs/dbraw/zinc/71/22/96/780712296.db2.gz SXTMZZJJUIZDTC-UHFFFAOYSA-N 1 1 312.370 -1.158 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001282844163 780716369 /nfs/dbraw/zinc/71/63/69/780716369.db2.gz HGHMZHYDMFAQFT-CNDDSTCGSA-N 1 1 306.370 -1.033 20 0 DAADMO CC(=O)NCC(=O)NCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001282890802 780718314 /nfs/dbraw/zinc/71/83/14/780718314.db2.gz PUGZSVVGYKXNTE-GFCCVEGCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNC(=O)Cn1cnnn1 ZINC001282905636 780720843 /nfs/dbraw/zinc/72/08/43/780720843.db2.gz RIWYQRQDOWSJCD-PHIMTYICSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1nccc(C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001282959782 780726006 /nfs/dbraw/zinc/72/60/06/780726006.db2.gz REIFSVFBJAUDMN-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO Cc1nccc(C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001282959782 780726011 /nfs/dbraw/zinc/72/60/11/780726011.db2.gz REIFSVFBJAUDMN-GFCCVEGCSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1nc(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)co1 ZINC001282960485 780726856 /nfs/dbraw/zinc/72/68/56/780726856.db2.gz ZHWVMPLTLPHDKP-JTQLQIEISA-N 1 1 312.326 -1.140 20 0 DAADMO COc1nc(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)co1 ZINC001282960485 780726861 /nfs/dbraw/zinc/72/68/61/780726861.db2.gz ZHWVMPLTLPHDKP-JTQLQIEISA-N 1 1 312.326 -1.140 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)C1(NC(N)=O)CC1 ZINC001282977422 780729316 /nfs/dbraw/zinc/72/93/16/780729316.db2.gz FRICNOMJCOTURN-UHFFFAOYSA-N 1 1 308.342 -1.375 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2nccnc2C(N)=O)C1 ZINC001283006455 780732317 /nfs/dbraw/zinc/73/23/17/780732317.db2.gz MKCWGKQQFYQDPI-SECBINFHSA-N 1 1 320.353 -1.627 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2nccnc2C(N)=O)C1 ZINC001283006456 780732416 /nfs/dbraw/zinc/73/24/16/780732416.db2.gz MKCWGKQQFYQDPI-VIFPVBQESA-N 1 1 320.353 -1.627 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)c2ccc(=O)n(C)n2)CC[N@H+]1C ZINC001283044875 780735901 /nfs/dbraw/zinc/73/59/01/780735901.db2.gz XATTVYUGFGSFLB-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n(C)c1=O ZINC001283075570 780739310 /nfs/dbraw/zinc/73/93/10/780739310.db2.gz QMNLOOPYSCAOPO-LLVKDONJSA-N 1 1 323.397 -1.088 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n(C)c1=O ZINC001283075571 780739536 /nfs/dbraw/zinc/73/95/36/780739536.db2.gz QMNLOOPYSCAOPO-NSHDSACASA-N 1 1 323.397 -1.088 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001283108895 780742025 /nfs/dbraw/zinc/74/20/25/780742025.db2.gz UQTAAQCGDDATNO-JTQLQIEISA-N 1 1 312.370 -1.387 20 0 DAADMO Cn1nnc(C(=O)NCCNC(=O)C[N@H+]2CCC(C)(C)C2)n1 ZINC001283143987 780746258 /nfs/dbraw/zinc/74/62/58/780746258.db2.gz WCLGLMYEJSOLIN-UHFFFAOYSA-N 1 1 309.374 -1.212 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CCn2ccnn2)C1 ZINC001283212403 780749803 /nfs/dbraw/zinc/74/98/03/780749803.db2.gz SKZLTXQNJWKJPB-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)CCn2ccnn2)C1 ZINC001283212403 780749807 /nfs/dbraw/zinc/74/98/07/780749807.db2.gz SKZLTXQNJWKJPB-GFCCVEGCSA-N 1 1 324.385 -1.379 20 0 DAADMO CN1C[C@@H](C(=O)NCCCNC(=O)[C@H]2CCC[N@H+]2C)NC1=O ZINC001283208484 780750077 /nfs/dbraw/zinc/75/00/77/780750077.db2.gz RYUPYWBSJQDJBE-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2cnnn2C)C1 ZINC001283237127 780752433 /nfs/dbraw/zinc/75/24/33/780752433.db2.gz VKJOXCKHCMUUFK-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)c2cnnn2C)C1 ZINC001283237127 780752441 /nfs/dbraw/zinc/75/24/41/780752441.db2.gz VKJOXCKHCMUUFK-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO Cn1ncc(C(=O)NCCCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001283298492 780754501 /nfs/dbraw/zinc/75/45/01/780754501.db2.gz MZYOUNOEMNJDJI-UHFFFAOYSA-N 1 1 324.385 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCNC(=O)CCn1cnnn1 ZINC001283299505 780754550 /nfs/dbraw/zinc/75/45/50/780754550.db2.gz CEHLRGPFGKCJGL-UHFFFAOYSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283294996 780754953 /nfs/dbraw/zinc/75/49/53/780754953.db2.gz WKMHNAOHJJZBEU-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)c1cnnn1C ZINC001283375175 780758234 /nfs/dbraw/zinc/75/82/34/780758234.db2.gz QDKVDWNDDRZYNJ-SNVBAGLBSA-N 1 1 312.374 -1.372 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cn[nH]c(=O)c1)[C@@H]1CCNC1=O ZINC001283387964 780758782 /nfs/dbraw/zinc/75/87/82/780758782.db2.gz LEXFXNLXWCTGSG-LLVKDONJSA-N 1 1 323.353 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCNC1=O ZINC001283386417 780758794 /nfs/dbraw/zinc/75/87/94/780758794.db2.gz BVBSVXAWLKGHNZ-GHMZBOCLSA-N 1 1 314.386 -1.549 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@]1(C)CCNC1=O ZINC001283406576 780759751 /nfs/dbraw/zinc/75/97/51/780759751.db2.gz FYXXNPIOMFCGRA-HZMBPMFUSA-N 1 1 314.386 -1.549 20 0 DAADMO CN1C[C@H](C(=O)NCCOCC[N@H+](C)CC(N)=O)NC1=O ZINC001283405081 780760001 /nfs/dbraw/zinc/76/00/01/780760001.db2.gz CYZBBLONJXOPDP-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CN1C[C@H](C(=O)NCCOCC[N@@H+](C)CC(N)=O)NC1=O ZINC001283405081 780760005 /nfs/dbraw/zinc/76/00/05/780760005.db2.gz CYZBBLONJXOPDP-SECBINFHSA-N 1 1 301.347 -2.440 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCOCCNC(=O)c1cnn(C)n1 ZINC001283416806 780761274 /nfs/dbraw/zinc/76/12/74/780761274.db2.gz QBMOALHXTFHKMO-JTQLQIEISA-N 1 1 312.374 -1.372 20 0 DAADMO CC(=O)NCC(=O)N(C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283515559 780764163 /nfs/dbraw/zinc/76/41/63/780764163.db2.gz UMCGIJGMIAHLLT-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)N(C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283515559 780764170 /nfs/dbraw/zinc/76/41/70/780764170.db2.gz UMCGIJGMIAHLLT-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001283617937 780767516 /nfs/dbraw/zinc/76/75/16/780767516.db2.gz NOUQIIDTCRAKRT-NXEZZACHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCCNC1=O)[NH2+]Cc1nnnn1C ZINC001283617939 780768141 /nfs/dbraw/zinc/76/81/41/780768141.db2.gz NOUQIIDTCRAKRT-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001283745054 780772111 /nfs/dbraw/zinc/77/21/11/780772111.db2.gz OORVBULWTDMPJQ-LLVKDONJSA-N 1 1 309.370 -1.122 20 0 DAADMO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001283772499 780774893 /nfs/dbraw/zinc/77/48/93/780774893.db2.gz QODQYSPGWFPHGZ-NSHDSACASA-N 1 1 323.397 -1.093 20 0 DAADMO CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001283769477 780774906 /nfs/dbraw/zinc/77/49/06/780774906.db2.gz CUZIKMHFKNWNSQ-SSDOTTSWSA-N 1 1 310.301 -2.430 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C(N)=O)cn1 ZINC001283771653 780775332 /nfs/dbraw/zinc/77/53/32/780775332.db2.gz JUCRNYDURQAGIU-LLVKDONJSA-N 1 1 309.370 -1.137 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283790914 780776669 /nfs/dbraw/zinc/77/66/69/780776669.db2.gz BQHPHTQEGLGGHV-GHMZBOCLSA-N 1 1 322.431 -2.304 20 0 DAADMO NC(=O)C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCCC1 ZINC001283797375 780778131 /nfs/dbraw/zinc/77/81/31/780778131.db2.gz MYKCBABIZLIQRJ-SNVBAGLBSA-N 1 1 300.359 -2.059 20 0 DAADMO CC(C)C(=O)NCCC[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC001283817633 780779643 /nfs/dbraw/zinc/77/96/43/780779643.db2.gz SJMLRRXUZMFGGU-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001283843274 780783255 /nfs/dbraw/zinc/78/32/55/780783255.db2.gz UTWHXWDCJUZCHE-JQWIXIFHSA-N 1 1 320.349 -1.299 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927864 780788375 /nfs/dbraw/zinc/78/83/75/780788375.db2.gz ODNJLYIVHSGYAJ-MNOVXSKESA-N 1 1 312.370 -1.797 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1 ZINC001283927864 780788378 /nfs/dbraw/zinc/78/83/78/780788378.db2.gz ODNJLYIVHSGYAJ-MNOVXSKESA-N 1 1 312.370 -1.797 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001284057914 780792978 /nfs/dbraw/zinc/79/29/78/780792978.db2.gz OFVBJWYGOKZHNO-AMIZOPFISA-N 1 1 318.324 -1.034 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C(=O)NCC(F)F)CCC[C@@H]12 ZINC001284057914 780792980 /nfs/dbraw/zinc/79/29/80/780792980.db2.gz OFVBJWYGOKZHNO-AMIZOPFISA-N 1 1 318.324 -1.034 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCOCCO ZINC001284103901 780794464 /nfs/dbraw/zinc/79/44/64/780794464.db2.gz VHHLKHQZBONYSL-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001284176324 780797181 /nfs/dbraw/zinc/79/71/81/780797181.db2.gz CYWRJRKBQWEHGO-KXNHARMFSA-N 1 1 320.393 -1.081 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cc1ccn[nH]1 ZINC001284402703 780812188 /nfs/dbraw/zinc/81/21/88/780812188.db2.gz MTNOVJZOGFFILX-WDEREUQCSA-N 1 1 323.353 -1.834 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C(=O)C(C)(C)C ZINC001284400904 780813377 /nfs/dbraw/zinc/81/33/77/780813377.db2.gz IUWNTMZKIMCQMZ-SECBINFHSA-N 1 1 312.374 -1.266 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O ZINC001284438749 780815513 /nfs/dbraw/zinc/81/55/13/780815513.db2.gz RWWULTKERBUMFE-SECBINFHSA-N 1 1 319.387 -1.820 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@]1(C)CCNC1=O ZINC001284449070 780817582 /nfs/dbraw/zinc/81/75/82/780817582.db2.gz ZQNUEFUCGAXIKN-XHDPSFHLSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnc(C2CCC2)n1C)C(=O)C(N)=O ZINC001284444588 780818075 /nfs/dbraw/zinc/81/80/75/780818075.db2.gz LCXDBCOBURQJIA-SNVBAGLBSA-N 1 1 324.385 -1.523 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)C(F)F ZINC001284477709 780819667 /nfs/dbraw/zinc/81/96/67/780819667.db2.gz QZIAMZYRXGHVJQ-QMMMGPOBSA-N 1 1 322.312 -1.446 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)C(F)F ZINC001284477708 780820442 /nfs/dbraw/zinc/82/04/42/780820442.db2.gz QZIAMZYRXGHVJQ-MRVPVSSYSA-N 1 1 322.312 -1.446 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001284492562 780822268 /nfs/dbraw/zinc/82/22/68/780822268.db2.gz NNKAQDONZLWNOB-LLVKDONJSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001284492562 780822278 /nfs/dbraw/zinc/82/22/78/780822278.db2.gz NNKAQDONZLWNOB-LLVKDONJSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)C1(C(N)=O)CC1 ZINC001284510642 780823065 /nfs/dbraw/zinc/82/30/65/780823065.db2.gz YXABHYUZBPKZLA-LBPRGKRZSA-N 1 1 323.397 -1.100 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C(=O)NCC(F)F ZINC001284502192 780823175 /nfs/dbraw/zinc/82/31/75/780823175.db2.gz MXXJEHTYKRSYPR-ZETCQYMHSA-N 1 1 310.301 -2.396 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C(=O)NCC(F)F ZINC001284502192 780823184 /nfs/dbraw/zinc/82/31/84/780823184.db2.gz MXXJEHTYKRSYPR-ZETCQYMHSA-N 1 1 310.301 -2.396 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001284508905 780823202 /nfs/dbraw/zinc/82/32/02/780823202.db2.gz HCLLURSYOKGCNU-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO COc1ccc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)nn1 ZINC001284508355 780823455 /nfs/dbraw/zinc/82/34/55/780823455.db2.gz DFBNLUVFZUSMTF-SNVBAGLBSA-N 1 1 311.342 -1.778 20 0 DAADMO COc1ccc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)nn1 ZINC001284508355 780823467 /nfs/dbraw/zinc/82/34/67/780823467.db2.gz DFBNLUVFZUSMTF-SNVBAGLBSA-N 1 1 311.342 -1.778 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284508261 780824072 /nfs/dbraw/zinc/82/40/72/780824072.db2.gz CMTGQBQIJNDOST-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284508261 780824079 /nfs/dbraw/zinc/82/40/79/780824079.db2.gz CMTGQBQIJNDOST-VHSXEESVSA-N 1 1 302.375 -1.863 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284517671 780825098 /nfs/dbraw/zinc/82/50/98/780825098.db2.gz YJJDSZFTTQBPHT-KOLCDFICSA-N 1 1 315.370 -1.829 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001284879719 780842706 /nfs/dbraw/zinc/84/27/06/780842706.db2.gz FNKTXFKXARAUDU-LLVKDONJSA-N 1 1 305.342 -1.690 20 0 DAADMO O=C(Cn1cnnn1)NCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001284879719 780842716 /nfs/dbraw/zinc/84/27/16/780842716.db2.gz FNKTXFKXARAUDU-LLVKDONJSA-N 1 1 305.342 -1.690 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001284908959 780845192 /nfs/dbraw/zinc/84/51/92/780845192.db2.gz MPVINAOZMSEXPU-JQWIXIFHSA-N 1 1 314.386 -1.201 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001284923824 780847996 /nfs/dbraw/zinc/84/79/96/780847996.db2.gz SSSVPKXEGQSHMC-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284968982 780850231 /nfs/dbraw/zinc/85/02/31/780850231.db2.gz POEGSIOQPOKUND-ZDUSSCGKSA-N 1 1 324.385 -1.181 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001284958024 780851048 /nfs/dbraw/zinc/85/10/48/780851048.db2.gz PKIQVFFGTJTWTJ-XQQFMLRXSA-N 1 1 311.382 -1.137 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284967370 780851106 /nfs/dbraw/zinc/85/11/06/780851106.db2.gz DNRLNHZURYEAOV-NSHDSACASA-N 1 1 321.385 -1.054 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)CCn2cnnn2)CC1 ZINC001284967370 780851110 /nfs/dbraw/zinc/85/11/10/780851110.db2.gz DNRLNHZURYEAOV-NSHDSACASA-N 1 1 321.385 -1.054 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC2=CC[N@@H+](CCO)CC2)C1=O ZINC001284985368 780852105 /nfs/dbraw/zinc/85/21/05/780852105.db2.gz DRYQMIPGUUEXIC-UHFFFAOYSA-N 1 1 310.354 -1.379 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001285437803 780871982 /nfs/dbraw/zinc/87/19/82/780871982.db2.gz MJSZANULZKMBTF-GHMZBOCLSA-N 1 1 323.353 -2.079 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNC(=O)Cn1cnnn1 ZINC001285471859 780873894 /nfs/dbraw/zinc/87/38/94/780873894.db2.gz PACYBFOKWAWVMC-SNAWJCMRSA-N 1 1 309.374 -1.198 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510738 780875440 /nfs/dbraw/zinc/87/54/40/780875440.db2.gz IKJAQSVFKYYOTM-SDYZSUDRSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510738 780875449 /nfs/dbraw/zinc/87/54/49/780875449.db2.gz IKJAQSVFKYYOTM-SDYZSUDRSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510735 780875677 /nfs/dbraw/zinc/87/56/77/780875677.db2.gz IKJAQSVFKYYOTM-MLBHJDEBSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001285510735 780875682 /nfs/dbraw/zinc/87/56/82/780875682.db2.gz IKJAQSVFKYYOTM-MLBHJDEBSA-N 1 1 323.393 -1.002 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001285558028 780877168 /nfs/dbraw/zinc/87/71/68/780877168.db2.gz NRYWTRJQCQJRJI-ZROCKMJXSA-N 1 1 309.370 -1.592 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001285671090 780882711 /nfs/dbraw/zinc/88/27/11/780882711.db2.gz LVAOWFJSTMLSIU-KOLCDFICSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)C1(C(N)=O)CC1 ZINC001285689244 780883604 /nfs/dbraw/zinc/88/36/04/780883604.db2.gz FOZCJDBGPVCLPL-NXEZZACHSA-N 1 1 312.370 -1.797 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)C1(C(N)=O)CC1 ZINC001285689244 780883611 /nfs/dbraw/zinc/88/36/11/780883611.db2.gz FOZCJDBGPVCLPL-NXEZZACHSA-N 1 1 312.370 -1.797 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001285901184 780896508 /nfs/dbraw/zinc/89/65/08/780896508.db2.gz CJCLACDDDHMELS-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134926 780906616 /nfs/dbraw/zinc/90/66/16/780906616.db2.gz HKHIEPYWLRGCGF-HZMBPMFUSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC001286134926 780906623 /nfs/dbraw/zinc/90/66/23/780906623.db2.gz HKHIEPYWLRGCGF-HZMBPMFUSA-N 1 1 312.370 -1.843 20 0 DAADMO CCOCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001287752035 780922755 /nfs/dbraw/zinc/92/27/55/780922755.db2.gz QUHKTWORMTVQHQ-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001287754819 780924198 /nfs/dbraw/zinc/92/41/98/780924198.db2.gz OXBZPJZWKAKXBH-ZJUUUORDSA-N 1 1 300.359 -2.203 20 0 DAADMO CCCOCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287757505 780924988 /nfs/dbraw/zinc/92/49/88/780924988.db2.gz QPTILPQXCPPKOH-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287757505 780924989 /nfs/dbraw/zinc/92/49/89/780924989.db2.gz QPTILPQXCPPKOH-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001287800773 780929794 /nfs/dbraw/zinc/92/97/94/780929794.db2.gz PFDXUYYMHXRYQL-VHSXEESVSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCNC1=O ZINC001287816490 780930220 /nfs/dbraw/zinc/93/02/20/780930220.db2.gz NSBOVWBPODUJQQ-MNOVXSKESA-N 1 1 314.386 -1.942 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)nn1 ZINC001090829729 781353086 /nfs/dbraw/zinc/35/30/86/781353086.db2.gz FCTWHRDIVOXUJP-ZYHUDNBSSA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1noc2c1COCC2 ZINC001090824620 781353287 /nfs/dbraw/zinc/35/32/87/781353287.db2.gz RARRGDUDBAJTBJ-MNOVXSKESA-N 1 1 311.338 -1.095 20 0 DAADMO NC(=O)c1ncccc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090825606 781353692 /nfs/dbraw/zinc/35/36/92/781353692.db2.gz UVLAUGQWJJVOJF-WDEREUQCSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](O)C1 ZINC001090839924 781354662 /nfs/dbraw/zinc/35/46/62/781354662.db2.gz TVFPTMUAZSFSDN-ZWNOBZJWSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)nc1 ZINC001090843927 781355976 /nfs/dbraw/zinc/35/59/76/781355976.db2.gz MTLTUFVALYGEAR-DGCLKSJQSA-N 1 1 322.365 -1.272 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832441 781356047 /nfs/dbraw/zinc/35/60/47/781356047.db2.gz BPIBFLGTTATRKJ-ONGXEEELSA-N 1 1 310.358 -1.663 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090851933 781358116 /nfs/dbraw/zinc/35/81/16/781358116.db2.gz LGNVKIQUJWEPEF-ZYHUDNBSSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 ZINC001090852457 781358193 /nfs/dbraw/zinc/35/81/93/781358193.db2.gz QQWHIGLGFNYWIG-WCQYABFASA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H](O)C1 ZINC001090852456 781358545 /nfs/dbraw/zinc/35/85/45/781358545.db2.gz QQWHIGLGFNYWIG-DGCLKSJQSA-N 1 1 322.365 -1.008 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090847472 781359042 /nfs/dbraw/zinc/35/90/42/781359042.db2.gz VPKFBAKOZRYEGP-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090847472 781359051 /nfs/dbraw/zinc/35/90/51/781359051.db2.gz VPKFBAKOZRYEGP-RYUDHWBXSA-N 1 1 309.370 -1.477 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001090859374 781359583 /nfs/dbraw/zinc/35/95/83/781359583.db2.gz VVBVZOBVWKWUFM-YPMHNXCESA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090859358 781359788 /nfs/dbraw/zinc/35/97/88/781359788.db2.gz VQFLIIPMGWOVSL-ZYHUDNBSSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001090859371 781360726 /nfs/dbraw/zinc/36/07/26/781360726.db2.gz VVBVZOBVWKWUFM-AAEUAGOBSA-N 1 1 322.365 -1.008 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1 ZINC001090858663 781361495 /nfs/dbraw/zinc/36/14/95/781361495.db2.gz PCQDGPMXFJFCGJ-AAEUAGOBSA-N 1 1 322.365 -1.272 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001110109789 781362322 /nfs/dbraw/zinc/36/23/22/781362322.db2.gz MIRDMGFNMPGQMM-ZNSHCXBVSA-N 1 1 305.400 -1.362 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001090969970 781363957 /nfs/dbraw/zinc/36/39/57/781363957.db2.gz HQYFWZAKRDTWPJ-HTAVTVPLSA-N 1 1 323.401 -1.475 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001090970512 781364804 /nfs/dbraw/zinc/36/48/04/781364804.db2.gz BSTGCQZXYMVQAO-ILDUYXDCSA-N 1 1 324.385 -1.175 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001090970512 781364810 /nfs/dbraw/zinc/36/48/10/781364810.db2.gz BSTGCQZXYMVQAO-ILDUYXDCSA-N 1 1 324.385 -1.175 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001090979963 781365505 /nfs/dbraw/zinc/36/55/05/781365505.db2.gz GIXNIXMYEBZMJV-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C[C@H]1CO ZINC001171137532 781366573 /nfs/dbraw/zinc/36/65/73/781366573.db2.gz DCTDGFZQIJNUDY-IINYFYTJSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)C[C@H]1CO ZINC001171137532 781366577 /nfs/dbraw/zinc/36/65/77/781366577.db2.gz DCTDGFZQIJNUDY-IINYFYTJSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375488 781374481 /nfs/dbraw/zinc/37/44/81/781374481.db2.gz PYQVAZJMCDXOQG-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375488 781374493 /nfs/dbraw/zinc/37/44/93/781374493.db2.gz PYQVAZJMCDXOQG-QWRGUYRKSA-N 1 1 308.400 -1.381 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091095980 781375928 /nfs/dbraw/zinc/37/59/28/781375928.db2.gz FFMXKVVYZVTBQO-GDPRMGEGSA-N 1 1 322.369 -1.184 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001091115232 781377594 /nfs/dbraw/zinc/37/75/94/781377594.db2.gz HGJWWSHXQCBHQD-UHFFFAOYSA-N 1 1 307.358 -1.072 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@H](O)c2cccc(Cl)c2)[C@@H]2NCN[C@@H]21 ZINC001144834588 781386641 /nfs/dbraw/zinc/38/66/41/781386641.db2.gz HOCAGSQRIGDSOV-KKOKHZNYSA-N 1 1 311.773 -1.108 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171231059 781387066 /nfs/dbraw/zinc/38/70/66/781387066.db2.gz OPTWHIPOZNIPQY-RYUDHWBXSA-N 1 1 310.416 -1.383 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171231059 781387071 /nfs/dbraw/zinc/38/70/71/781387071.db2.gz OPTWHIPOZNIPQY-RYUDHWBXSA-N 1 1 310.416 -1.383 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C[C@H]2C1 ZINC001144898917 781392734 /nfs/dbraw/zinc/39/27/34/781392734.db2.gz DKBTUZDGIPAAPH-NZHYYXIDSA-N 1 1 302.327 -3.350 20 0 DAADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144900812 781394191 /nfs/dbraw/zinc/39/41/91/781394191.db2.gz UYQUJDBLZAQOIH-RMPHRYRLSA-N 1 1 316.354 -2.817 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902979 781396575 /nfs/dbraw/zinc/39/65/75/781396575.db2.gz IEEBTBFSMQXWHS-CHWFTXMASA-N 1 1 304.343 -2.769 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144906727 781398368 /nfs/dbraw/zinc/39/83/68/781398368.db2.gz UURLXGAQTKJUFH-IVZWLZJFSA-N 1 1 301.299 -3.048 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091466873 781408430 /nfs/dbraw/zinc/40/84/30/781408430.db2.gz IPDZDVREMXZWEG-MFKMUULPSA-N 1 1 307.358 -1.801 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@]2(C)C1 ZINC001091499848 781408923 /nfs/dbraw/zinc/40/89/23/781408923.db2.gz MYADJSSXHFQWJO-JMSVASOKSA-N 1 1 311.382 -1.072 20 0 DAADMO C[C@]12CN(C(=O)CN3CCCC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091470688 781408952 /nfs/dbraw/zinc/40/89/52/781408952.db2.gz YZZVKTBFVFJYHU-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnnnc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264761 781409284 /nfs/dbraw/zinc/40/92/84/781409284.db2.gz VSLUKYTUZRVQCP-QCNRFFRDSA-N 1 1 321.297 -2.416 20 0 DAADMO Cn1ncnc1COCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001146191593 781410681 /nfs/dbraw/zinc/41/06/81/781410681.db2.gz WWKFKLIITJSKPX-UHFFFAOYSA-N 1 1 309.334 -2.239 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)COCc2ncnn2C)n1 ZINC001146190566 781410760 /nfs/dbraw/zinc/41/07/60/781410760.db2.gz GZTHIPOTZVORQH-UHFFFAOYSA-N 1 1 307.358 -1.029 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001091555133 781413399 /nfs/dbraw/zinc/41/33/99/781413399.db2.gz QUNZGIRYUVOHDU-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001091555132 781413616 /nfs/dbraw/zinc/41/36/16/781413616.db2.gz QUNZGIRYUVOHDU-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@]3(C)C2)C1=O ZINC001091555693 781415249 /nfs/dbraw/zinc/41/52/49/781415249.db2.gz NRFCZFZGQMWLJU-HFAKWTLXSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149154432 781415317 /nfs/dbraw/zinc/41/53/17/781415317.db2.gz XYPTWCZFWBCXSF-RYUDHWBXSA-N 1 1 309.370 -1.036 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cccn2)C1 ZINC001149154432 781415321 /nfs/dbraw/zinc/41/53/21/781415321.db2.gz XYPTWCZFWBCXSF-RYUDHWBXSA-N 1 1 309.370 -1.036 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@]3(C)C2)nn1 ZINC001091555176 781415603 /nfs/dbraw/zinc/41/56/03/781415603.db2.gz SQHDLGNQWALFAJ-YGRLFVJLSA-N 1 1 306.370 -1.029 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC(N)=O)C[C@]3(C)C2)nn1 ZINC001091555176 781415611 /nfs/dbraw/zinc/41/56/11/781415611.db2.gz SQHDLGNQWALFAJ-YGRLFVJLSA-N 1 1 306.370 -1.029 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001091555184 781415771 /nfs/dbraw/zinc/41/57/71/781415771.db2.gz SZZIEYGIYZJCCB-FCHSOHFDSA-N 1 1 322.365 -1.553 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001091555185 781415778 /nfs/dbraw/zinc/41/57/78/781415778.db2.gz SZZIEYGIYZJCCB-FTGAXOIBSA-N 1 1 322.365 -1.553 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091565707 781415884 /nfs/dbraw/zinc/41/58/84/781415884.db2.gz VVZLBZKOMQONAK-JMSVASOKSA-N 1 1 310.398 -1.417 20 0 DAADMO O=C(NCC1([NH+]2CCCC2)COC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146629147 781416622 /nfs/dbraw/zinc/41/66/22/781416622.db2.gz XSNYOKKFXPJUBI-JHJVBQTASA-N 1 1 312.366 -1.620 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146668907 781418122 /nfs/dbraw/zinc/41/81/22/781418122.db2.gz YAGUBZBRLDSKLK-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2C(=O)NC(=O)C2(C)C)n1 ZINC001146660968 781418297 /nfs/dbraw/zinc/41/82/97/781418297.db2.gz MLXAXKDAOBGURV-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660642 781419231 /nfs/dbraw/zinc/41/92/31/781419231.db2.gz BIFKNYQDWDRBDP-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO CCOC(=O)C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CNC1 ZINC001160999448 781419691 /nfs/dbraw/zinc/41/96/91/781419691.db2.gz DUJMXSRIUBEHMR-NSHDSACASA-N 1 1 311.382 -1.146 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001146913925 781420823 /nfs/dbraw/zinc/42/08/23/781420823.db2.gz IYDJRDWMMVJASG-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001146913925 781420826 /nfs/dbraw/zinc/42/08/26/781420826.db2.gz IYDJRDWMMVJASG-UHFFFAOYSA-N 1 1 311.342 -2.148 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)nn1C ZINC001146879036 781423009 /nfs/dbraw/zinc/42/30/09/781423009.db2.gz RKJRCOSGKMLVGN-UHFFFAOYSA-N 1 1 322.369 -1.124 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001146919889 781423914 /nfs/dbraw/zinc/42/39/14/781423914.db2.gz NDTAXKMYOKTIRL-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001146919196 781424433 /nfs/dbraw/zinc/42/44/33/781424433.db2.gz CYDXALYTIOJHLA-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001146980536 781424735 /nfs/dbraw/zinc/42/47/35/781424735.db2.gz YIHPFMZSEHGYJW-MRVPVSSYSA-N 1 1 308.342 -1.585 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@]2(C)C1 ZINC001091609358 781426594 /nfs/dbraw/zinc/42/65/94/781426594.db2.gz DPENHDPDNGHKEC-RBZYPMLTSA-N 1 1 322.369 -1.362 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)NC(N)=O ZINC001146995418 781426991 /nfs/dbraw/zinc/42/69/91/781426991.db2.gz VQPQMSFKUIWUJL-BDAKNGLRSA-N 1 1 322.369 -1.196 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)NC(N)=O ZINC001146995420 781427623 /nfs/dbraw/zinc/42/76/23/781427623.db2.gz VQPQMSFKUIWUJL-IUCAKERBSA-N 1 1 322.369 -1.196 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cn([C@H]3CCOC3)nn2)nn1 ZINC001147014536 781428809 /nfs/dbraw/zinc/42/88/09/781428809.db2.gz IJOXKSIMCMFZHA-NSHDSACASA-N 1 1 320.357 -1.112 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147014305 781428887 /nfs/dbraw/zinc/42/88/87/781428887.db2.gz HNKYYCQQUZUSIH-JTQLQIEISA-N 1 1 320.357 -1.112 20 0 DAADMO COCCOCC[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974583 781429180 /nfs/dbraw/zinc/42/91/80/781429180.db2.gz UADHMVZSJYIZGC-UHFFFAOYSA-N 1 1 324.385 -1.130 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC[NH2+]Cc1ccon1 ZINC001147051407 781430501 /nfs/dbraw/zinc/43/05/01/781430501.db2.gz UFDFEPGMHPQNQR-VIFPVBQESA-N 1 1 322.329 -1.928 20 0 DAADMO COCCCn1cc(C(=O)NCC[NH2+]Cc2nnnn2C)cn1 ZINC001147055907 781431090 /nfs/dbraw/zinc/43/10/90/781431090.db2.gz COJOYTMLAQGKRJ-UHFFFAOYSA-N 1 1 322.373 -1.037 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)c1N ZINC001091617255 781433078 /nfs/dbraw/zinc/43/30/78/781433078.db2.gz NMFFGEMQOSCAOA-OTYXRUKQSA-N 1 1 306.370 -1.119 20 0 DAADMO Cn1nccc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147117208 781433154 /nfs/dbraw/zinc/43/31/54/781433154.db2.gz OXGDUHMPQVMOPH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO Cn1nccc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147117208 781433159 /nfs/dbraw/zinc/43/31/59/781433159.db2.gz OXGDUHMPQVMOPH-UHFFFAOYSA-N 1 1 320.353 -1.237 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001147072002 781433339 /nfs/dbraw/zinc/43/33/39/781433339.db2.gz VAAJKXHRGTUMDL-LBPRGKRZSA-N 1 1 320.393 -1.065 20 0 DAADMO Cn1nccc1C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149123441 781433562 /nfs/dbraw/zinc/43/35/62/781433562.db2.gz DYZHAWMXPXJEJI-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1nccc1C[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149123441 781433571 /nfs/dbraw/zinc/43/35/71/781433571.db2.gz DYZHAWMXPXJEJI-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001147106080 781434017 /nfs/dbraw/zinc/43/40/17/781434017.db2.gz LNKGKCQZJNIDIA-SNVBAGLBSA-N 1 1 310.354 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001147106080 781434022 /nfs/dbraw/zinc/43/40/22/781434022.db2.gz LNKGKCQZJNIDIA-SNVBAGLBSA-N 1 1 310.354 -1.248 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 ZINC001147211956 781434528 /nfs/dbraw/zinc/43/45/28/781434528.db2.gz KGMFIRPVPWBRCY-NSHDSACASA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H](C[NH2+]CCNC(=O)Cc1nnc[nH]1)CS(C)(=O)=O ZINC001147272084 781437086 /nfs/dbraw/zinc/43/70/86/781437086.db2.gz ZTRFVHRMJWKHTH-SECBINFHSA-N 1 1 303.388 -1.266 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001147278113 781437165 /nfs/dbraw/zinc/43/71/65/781437165.db2.gz QTVGSBOYKQGEIQ-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCNC(=O)C1CC1)C2 ZINC001147274752 781437706 /nfs/dbraw/zinc/43/77/06/781437706.db2.gz RRSIJOBUCYARBQ-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)Cc2nnc[nH]2)C[C@H](C)O1 ZINC001147271374 781437760 /nfs/dbraw/zinc/43/77/60/781437760.db2.gz CYNPWHQHXGKZQJ-QWRGUYRKSA-N 1 1 324.385 -1.311 20 0 DAADMO Cn1c(=O)cc(C[NH2+]CCNC(=O)Cc2nnc[nH]2)n(C)c1=O ZINC001147271882 781437902 /nfs/dbraw/zinc/43/79/02/781437902.db2.gz WKVCWKPLVXIZPS-UHFFFAOYSA-N 1 1 321.341 -2.349 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001147356541 781438829 /nfs/dbraw/zinc/43/88/29/781438829.db2.gz YNMHIOAOACYHKI-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001147356541 781438831 /nfs/dbraw/zinc/43/88/31/781438831.db2.gz YNMHIOAOACYHKI-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147358238 781438969 /nfs/dbraw/zinc/43/89/69/781438969.db2.gz CTBMTDSKENQFPZ-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001147354509 781439330 /nfs/dbraw/zinc/43/93/30/781439330.db2.gz IDWLRVXOLLBYMW-UHFFFAOYSA-N 1 1 322.369 -1.346 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001147354509 781439339 /nfs/dbraw/zinc/43/93/39/781439339.db2.gz IDWLRVXOLLBYMW-UHFFFAOYSA-N 1 1 322.369 -1.346 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(N)=O)n1 ZINC001147322061 781439759 /nfs/dbraw/zinc/43/97/59/781439759.db2.gz WOVAQGGDOPBQPS-LLVKDONJSA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C1(C(=O)N(C)C)CC1)c1nnnn1C ZINC001147307198 781439859 /nfs/dbraw/zinc/43/98/59/781439859.db2.gz HKBPAUWPFSZZDH-VIFPVBQESA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O)c1nnnn1C ZINC001147321571 781439943 /nfs/dbraw/zinc/43/99/43/781439943.db2.gz PNPPKCQDYSTLNQ-VHSXEESVSA-N 1 1 324.389 -1.090 20 0 DAADMO Cn1[n-]c(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001171303337 781441123 /nfs/dbraw/zinc/44/11/23/781441123.db2.gz GLQFJRSXFDHJGK-UHFFFAOYSA-N 1 1 308.386 -1.200 20 0 DAADMO CCNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147374123 781441860 /nfs/dbraw/zinc/44/18/60/781441860.db2.gz GVSZBGPDTSOGAZ-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001147451164 781442556 /nfs/dbraw/zinc/44/25/56/781442556.db2.gz QSYSBJIHCLJKRY-JTQLQIEISA-N 1 1 322.365 -1.538 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147455067 781443078 /nfs/dbraw/zinc/44/30/78/781443078.db2.gz BGEIZGAACYFESN-NSHDSACASA-N 1 1 313.354 -1.362 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422307 781443212 /nfs/dbraw/zinc/44/32/12/781443212.db2.gz IMJBQBZGBPOWKY-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001147422469 781443330 /nfs/dbraw/zinc/44/33/30/781443330.db2.gz NLMYISKLXGGACY-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001147422765 781443341 /nfs/dbraw/zinc/44/33/41/781443341.db2.gz YSPOHROBAOEVMY-NSHDSACASA-N 1 1 321.385 -1.131 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147475262 781443581 /nfs/dbraw/zinc/44/35/81/781443581.db2.gz HBNSAPUSOWJZNE-LLVKDONJSA-N 1 1 312.370 -1.268 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147475262 781443589 /nfs/dbraw/zinc/44/35/89/781443589.db2.gz HBNSAPUSOWJZNE-LLVKDONJSA-N 1 1 312.370 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 ZINC001147475750 781443968 /nfs/dbraw/zinc/44/39/68/781443968.db2.gz LDZYNOTWWICLMW-NSHDSACASA-N 1 1 309.370 -1.030 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455474 781444148 /nfs/dbraw/zinc/44/41/48/781444148.db2.gz KWKFYYCUAAVHEK-GHMZBOCLSA-N 1 1 313.354 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001147475687 781444286 /nfs/dbraw/zinc/44/42/86/781444286.db2.gz IXDIFUVPWHXICF-NSHDSACASA-N 1 1 309.370 -1.030 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)nn1 ZINC001147461870 781444336 /nfs/dbraw/zinc/44/43/36/781444336.db2.gz FEHIOFWAKGDVBO-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)nn1 ZINC001147461870 781444340 /nfs/dbraw/zinc/44/43/40/781444340.db2.gz FEHIOFWAKGDVBO-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001147422470 781444378 /nfs/dbraw/zinc/44/43/78/781444378.db2.gz NLMYISKLXGGACY-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2)NC(N)=O ZINC001147547033 781445202 /nfs/dbraw/zinc/44/52/02/781445202.db2.gz OKKDYJQZSDFDFE-ZJUUUORDSA-N 1 1 311.386 -1.159 20 0 DAADMO CNC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147491154 781445338 /nfs/dbraw/zinc/44/53/38/781445338.db2.gz UHWDPLLJJZSFOF-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147558259 781446569 /nfs/dbraw/zinc/44/65/69/781446569.db2.gz RKBUCTQABSMEDR-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147558259 781446579 /nfs/dbraw/zinc/44/65/79/781446579.db2.gz RKBUCTQABSMEDR-UHFFFAOYSA-N 1 1 318.399 -2.055 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001091641336 781447324 /nfs/dbraw/zinc/44/73/24/781447324.db2.gz NSVPBNBHLIRENY-HFAKWTLXSA-N 1 1 324.381 -1.037 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147624727 781447418 /nfs/dbraw/zinc/44/74/18/781447418.db2.gz IMUWCAZEVUSUTM-LBPRGKRZSA-N 1 1 309.370 -1.180 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147625698 781447485 /nfs/dbraw/zinc/44/74/85/781447485.db2.gz XIIJWYZATFIOHG-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147625698 781447489 /nfs/dbraw/zinc/44/74/89/781447489.db2.gz XIIJWYZATFIOHG-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147567338 781447681 /nfs/dbraw/zinc/44/76/81/781447681.db2.gz VUHZHBLTAMGTTK-NSHDSACASA-N 1 1 310.358 -1.785 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147577096 781447694 /nfs/dbraw/zinc/44/76/94/781447694.db2.gz ZVRFUGMZQNOEFY-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO C[C@@H](CC(=O)NCC[NH2+]Cc1nnnn1C)N1CCCC1=O ZINC001147606032 781447715 /nfs/dbraw/zinc/44/77/15/781447715.db2.gz ICWRXBJWIXYPFB-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147558161 781447739 /nfs/dbraw/zinc/44/77/39/781447739.db2.gz NVDKBNQYJWVVDD-UHFFFAOYSA-N 1 1 305.400 -1.548 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1c2c(nn1C)CCC2 ZINC001147628438 781448016 /nfs/dbraw/zinc/44/80/16/781448016.db2.gz MLUUFEDWZDCXPY-UHFFFAOYSA-N 1 1 304.358 -1.048 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001147591025 781448051 /nfs/dbraw/zinc/44/80/51/781448051.db2.gz UTQWTORGMLDVSJ-BONVTDFDSA-N 1 1 322.365 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@]34C[C@H]3COC4)C2)C1 ZINC001147591025 781448069 /nfs/dbraw/zinc/44/80/69/781448069.db2.gz UTQWTORGMLDVSJ-BONVTDFDSA-N 1 1 322.365 -1.248 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O)c1nncn1C ZINC001147645428 781449160 /nfs/dbraw/zinc/44/91/60/781449160.db2.gz UORMYMUTRDOFPV-VIFPVBQESA-N 1 1 323.357 -1.524 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001147669911 781450476 /nfs/dbraw/zinc/45/04/76/781450476.db2.gz JZTRLVMGOPBKOO-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147671076 781450971 /nfs/dbraw/zinc/45/09/71/781450971.db2.gz DTISRLHXJHHHNF-UHFFFAOYSA-N 1 1 310.318 -2.690 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001147657757 781451042 /nfs/dbraw/zinc/45/10/42/781451042.db2.gz ALFXVRKXDQZCJK-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO O=C(C[NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1)N1CCC1 ZINC001147686760 781453702 /nfs/dbraw/zinc/45/37/02/781453702.db2.gz ALQKTJUPCVBXPT-JTQLQIEISA-N 1 1 306.370 -1.152 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001147687001 781453899 /nfs/dbraw/zinc/45/38/99/781453899.db2.gz BUMJNCQUFCNTFK-SNVBAGLBSA-N 1 1 321.385 -1.359 20 0 DAADMO O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001147687001 781453902 /nfs/dbraw/zinc/45/39/02/781453902.db2.gz BUMJNCQUFCNTFK-SNVBAGLBSA-N 1 1 321.385 -1.359 20 0 DAADMO CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1=O ZINC001147699415 781454718 /nfs/dbraw/zinc/45/47/18/781454718.db2.gz LHTKBMUHZIQKFB-KOLCDFICSA-N 1 1 306.370 -1.154 20 0 DAADMO CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1=O ZINC001147699415 781454726 /nfs/dbraw/zinc/45/47/26/781454726.db2.gz LHTKBMUHZIQKFB-KOLCDFICSA-N 1 1 306.370 -1.154 20 0 DAADMO CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCc3[nH]nnc3C2)C1=O ZINC001147699417 781455225 /nfs/dbraw/zinc/45/52/25/781455225.db2.gz LHTKBMUHZIQKFB-ONGXEEELSA-N 1 1 306.370 -1.154 20 0 DAADMO CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCc3nn[nH]c3C2)C1=O ZINC001147699417 781455226 /nfs/dbraw/zinc/45/52/26/781455226.db2.gz LHTKBMUHZIQKFB-ONGXEEELSA-N 1 1 306.370 -1.154 20 0 DAADMO Cn1nccc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099890339 781458961 /nfs/dbraw/zinc/45/89/61/781458961.db2.gz QIJVCXMPWSWWFS-STQMWFEESA-N 1 1 312.370 -1.520 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147852212 781459261 /nfs/dbraw/zinc/45/92/61/781459261.db2.gz XBKCMBWCARKAAJ-MRVPVSSYSA-N 1 1 318.324 -1.224 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCCCNC(N)=O)C2)C1 ZINC001147863280 781459613 /nfs/dbraw/zinc/45/96/13/781459613.db2.gz YKTQBAVEOHBVEJ-UHFFFAOYSA-N 1 1 311.386 -1.155 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CCCCNC(N)=O)C2)C1 ZINC001147863280 781459619 /nfs/dbraw/zinc/45/96/19/781459619.db2.gz YKTQBAVEOHBVEJ-UHFFFAOYSA-N 1 1 311.386 -1.155 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148046481 781462990 /nfs/dbraw/zinc/46/29/90/781462990.db2.gz ZESICPSXBWMQDT-VXGBXAGGSA-N 1 1 311.382 -1.336 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148052539 781463308 /nfs/dbraw/zinc/46/33/08/781463308.db2.gz FKSFKJULMMYYQL-UHFFFAOYSA-N 1 1 322.329 -2.447 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)n1 ZINC001148052539 781463311 /nfs/dbraw/zinc/46/33/11/781463311.db2.gz FKSFKJULMMYYQL-UHFFFAOYSA-N 1 1 322.329 -2.447 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)n1 ZINC001148052205 781463324 /nfs/dbraw/zinc/46/33/24/781463324.db2.gz AKVOZNZLCZXSPR-UHFFFAOYSA-N 1 1 310.358 -1.633 20 0 DAADMO CCOCC[N@H+]1CCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001148024474 781463557 /nfs/dbraw/zinc/46/35/57/781463557.db2.gz MJEIEUMSWIUGRC-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148052513 781463715 /nfs/dbraw/zinc/46/37/15/781463715.db2.gz CXRJYDVCDXOIMX-SNVBAGLBSA-N 1 1 310.358 -1.635 20 0 DAADMO CCOCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199922 781464318 /nfs/dbraw/zinc/46/43/18/781464318.db2.gz VRCRLZPNYALDCL-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO CCOCCNC(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199922 781464324 /nfs/dbraw/zinc/46/43/24/781464324.db2.gz VRCRLZPNYALDCL-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148153604 781464523 /nfs/dbraw/zinc/46/45/23/781464523.db2.gz PJNBIIRKGADKJB-UHFFFAOYSA-N 1 1 322.365 -1.073 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3cnoc3)C2)C1 ZINC001148117589 781464603 /nfs/dbraw/zinc/46/46/03/781464603.db2.gz XKGJWSAWTDCAJL-UHFFFAOYSA-N 1 1 321.337 -1.054 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3cnoc3)C2)C1 ZINC001148117589 781464608 /nfs/dbraw/zinc/46/46/08/781464608.db2.gz XKGJWSAWTDCAJL-UHFFFAOYSA-N 1 1 321.337 -1.054 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675370 781465172 /nfs/dbraw/zinc/46/51/72/781465172.db2.gz QDHBIGFFLLIXEM-GYSYKLTISA-N 1 1 321.385 -1.283 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148168115 781465221 /nfs/dbraw/zinc/46/52/21/781465221.db2.gz NTDCPPQEYBFEIN-MNOVXSKESA-N 1 1 312.370 -1.791 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148168389 781465311 /nfs/dbraw/zinc/46/53/11/781465311.db2.gz RBFJKONILRXQMI-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148168389 781465314 /nfs/dbraw/zinc/46/53/14/781465314.db2.gz RBFJKONILRXQMI-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148297878 781468695 /nfs/dbraw/zinc/46/86/95/781468695.db2.gz FEUYELMSWLPCDP-NEPJUHHUSA-N 1 1 311.382 -1.349 20 0 DAADMO COC(=O)c1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001148239757 781468747 /nfs/dbraw/zinc/46/87/47/781468747.db2.gz QEIXQHYUNIPXDV-WOPDTQHZSA-N 1 1 305.338 -1.394 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099894472 781470838 /nfs/dbraw/zinc/47/08/38/781470838.db2.gz LJWPWUIBZDJUIZ-GHMZBOCLSA-N 1 1 308.400 -1.645 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099894472 781470841 /nfs/dbraw/zinc/47/08/41/781470841.db2.gz LJWPWUIBZDJUIZ-GHMZBOCLSA-N 1 1 308.400 -1.645 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)CC1=O ZINC001091714934 781470994 /nfs/dbraw/zinc/47/09/94/781470994.db2.gz NUJZXEFMCDHMFI-RWSFTLGLSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148351751 781471027 /nfs/dbraw/zinc/47/10/27/781471027.db2.gz OIGOTIWNTVVNBF-SECBINFHSA-N 1 1 318.399 -2.056 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148351751 781471028 /nfs/dbraw/zinc/47/10/28/781471028.db2.gz OIGOTIWNTVVNBF-SECBINFHSA-N 1 1 318.399 -2.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001148430668 781472891 /nfs/dbraw/zinc/47/28/91/781472891.db2.gz UHKNWUKQXHCQMO-NSHDSACASA-N 1 1 309.370 -1.030 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001148485974 781473325 /nfs/dbraw/zinc/47/33/25/781473325.db2.gz WEAGUKGUSUROAF-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001148485974 781473336 /nfs/dbraw/zinc/47/33/36/781473336.db2.gz WEAGUKGUSUROAF-UHFFFAOYSA-N 1 1 320.353 -1.319 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001148510521 781473695 /nfs/dbraw/zinc/47/36/95/781473695.db2.gz BWEJSWFIRUOMQJ-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001148510521 781473698 /nfs/dbraw/zinc/47/36/98/781473698.db2.gz BWEJSWFIRUOMQJ-UHFFFAOYSA-N 1 1 308.382 -1.207 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001148568311 781475977 /nfs/dbraw/zinc/47/59/77/781475977.db2.gz QPJNOIYGMCHENE-NSHDSACASA-N 1 1 309.370 -1.111 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001148568311 781475981 /nfs/dbraw/zinc/47/59/81/781475981.db2.gz QPJNOIYGMCHENE-NSHDSACASA-N 1 1 309.370 -1.111 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3ncn[nH]3)C2)C1 ZINC001148568311 781475983 /nfs/dbraw/zinc/47/59/83/781475983.db2.gz QPJNOIYGMCHENE-NSHDSACASA-N 1 1 309.370 -1.111 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CCC1 ZINC001148603120 781476153 /nfs/dbraw/zinc/47/61/53/781476153.db2.gz JSTKMQNPIKXSIT-SECBINFHSA-N 1 1 309.374 -1.107 20 0 DAADMO CCC[N@H+](C)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001148638786 781476265 /nfs/dbraw/zinc/47/62/65/781476265.db2.gz RLNYPUBWSMMNLL-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001148638786 781476267 /nfs/dbraw/zinc/47/62/67/781476267.db2.gz RLNYPUBWSMMNLL-UHFFFAOYSA-N 1 1 313.402 -2.008 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099895525 781477386 /nfs/dbraw/zinc/47/73/86/781477386.db2.gz XWEVPVLMVXFESC-MNOVXSKESA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099895525 781477391 /nfs/dbraw/zinc/47/73/91/781477391.db2.gz XWEVPVLMVXFESC-MNOVXSKESA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099895526 781477541 /nfs/dbraw/zinc/47/75/41/781477541.db2.gz XWEVPVLMVXFESC-QWRGUYRKSA-N 1 1 318.349 -2.240 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099895526 781477545 /nfs/dbraw/zinc/47/75/45/781477545.db2.gz XWEVPVLMVXFESC-QWRGUYRKSA-N 1 1 318.349 -2.240 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001148742793 781478354 /nfs/dbraw/zinc/47/83/54/781478354.db2.gz BZJWYGIIRIKPHQ-LLVKDONJSA-N 1 1 314.386 -1.414 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099895321 781478715 /nfs/dbraw/zinc/47/87/15/781478715.db2.gz WJQDHYAWGMYSNX-NWDGAFQWSA-N 1 1 314.386 -1.800 20 0 DAADMO NC(=O)NCCC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001148726494 781478735 /nfs/dbraw/zinc/47/87/35/781478735.db2.gz LPTFXCXIGVMYPK-NSHDSACASA-N 1 1 323.397 -1.142 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099895320 781479021 /nfs/dbraw/zinc/47/90/21/781479021.db2.gz WJQDHYAWGMYSNX-NEPJUHHUSA-N 1 1 314.386 -1.800 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148819474 781479173 /nfs/dbraw/zinc/47/91/73/781479173.db2.gz OAEJMKLKUSRVEJ-UHFFFAOYSA-N 1 1 319.427 -1.206 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(=O)C3CCC3)C2)C1 ZINC001148845037 781479305 /nfs/dbraw/zinc/47/93/05/781479305.db2.gz RRXHOPURATWOSU-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)C3CCC3)C2)C1 ZINC001148845037 781479312 /nfs/dbraw/zinc/47/93/12/781479312.db2.gz RRXHOPURATWOSU-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149481159 781479950 /nfs/dbraw/zinc/47/99/50/781479950.db2.gz ILISYMNUSIPGKF-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149481159 781479958 /nfs/dbraw/zinc/47/99/58/781479958.db2.gz ILISYMNUSIPGKF-NXEZZACHSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149481161 781480398 /nfs/dbraw/zinc/48/03/98/781480398.db2.gz ILISYMNUSIPGKF-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149481161 781480403 /nfs/dbraw/zinc/48/04/03/781480403.db2.gz ILISYMNUSIPGKF-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO COCC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002335 781480593 /nfs/dbraw/zinc/48/05/93/781480593.db2.gz IECSXYVOCQDMIZ-WDEREUQCSA-N 1 1 313.354 -1.355 20 0 DAADMO COCC(=O)NC[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001149002335 781480599 /nfs/dbraw/zinc/48/05/99/781480599.db2.gz IECSXYVOCQDMIZ-WDEREUQCSA-N 1 1 313.354 -1.355 20 0 DAADMO O=C(N[C@H]1CCC[N@H+](CCOCCO)CC1)[C@@H]1CNC(=O)N1 ZINC001273446388 781480650 /nfs/dbraw/zinc/48/06/50/781480650.db2.gz QOQNANZUOBRMBW-RYUDHWBXSA-N 1 1 314.386 -1.353 20 0 DAADMO Cn1cc([C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086968780 781482595 /nfs/dbraw/zinc/48/25/95/781482595.db2.gz MOZBWEDGZIHTGF-CMPLNLGQSA-N 1 1 317.353 -1.174 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087078264 781484114 /nfs/dbraw/zinc/48/41/14/781484114.db2.gz NQBIWCKGPFYTQA-PSASIEDQSA-N 1 1 313.383 -1.024 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901122 781484226 /nfs/dbraw/zinc/48/42/26/781484226.db2.gz DVJDNHDPCCSFPF-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901121 781484777 /nfs/dbraw/zinc/48/47/77/781484777.db2.gz DVJDNHDPCCSFPF-DTWKUNHWSA-N 1 1 309.313 -1.435 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087078182 781485284 /nfs/dbraw/zinc/48/52/84/781485284.db2.gz JPVBIKYTRZYKAF-NXEZZACHSA-N 1 1 311.342 -1.184 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099905570 781485934 /nfs/dbraw/zinc/48/59/34/781485934.db2.gz ANPOMQGTXZDZJR-YPMHNXCESA-N 1 1 312.370 -1.406 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001091963868 781486163 /nfs/dbraw/zinc/48/61/63/781486163.db2.gz LARWETPMOAVODY-HFAKWTLXSA-N 1 1 323.397 -1.464 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929658 781486239 /nfs/dbraw/zinc/48/62/39/781486239.db2.gz UFUBPLZLSZBWNV-KKFJDGPESA-N 1 1 307.358 -1.522 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091928611 781486402 /nfs/dbraw/zinc/48/64/02/781486402.db2.gz NPEVFIDMJMZWNU-YGRLFVJLSA-N 1 1 321.385 -1.308 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)n1 ZINC001091928887 781487161 /nfs/dbraw/zinc/48/71/61/781487161.db2.gz XQXHWNNUUSMCFH-BFVZDQMLSA-N 1 1 319.369 -1.508 20 0 DAADMO C[C@]12CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092019683 781488428 /nfs/dbraw/zinc/48/84/28/781488428.db2.gz OPNHTOCWLIRVKB-PSLIRLAXSA-N 1 1 319.365 -1.007 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@]2(C)C1 ZINC001092094246 781488708 /nfs/dbraw/zinc/48/87/08/781488708.db2.gz BXOTVCSIPMIFOA-YGRLFVJLSA-N 1 1 306.370 -1.045 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091970827 781489108 /nfs/dbraw/zinc/48/91/08/781489108.db2.gz FACMGLDNVRJIMC-YGRLFVJLSA-N 1 1 309.370 -1.723 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1)C1CC1 ZINC001091968230 781489209 /nfs/dbraw/zinc/48/92/09/781489209.db2.gz OINSGYXSFKCVAE-BMIGLBTASA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)CN3CC(=O)NC3=O)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092103531 781489403 /nfs/dbraw/zinc/48/94/03/781489403.db2.gz XSFMISCTCYSDDS-ABAIWWIYSA-N 1 1 324.381 -1.299 20 0 DAADMO C[C@]12CN(C(=O)CCN3CCOCC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092101797 781489654 /nfs/dbraw/zinc/48/96/54/781489654.db2.gz OITUTNDJNOCYIW-CJNGLKHVSA-N 1 1 324.425 -1.026 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@]2(C)C1 ZINC001092130062 781490294 /nfs/dbraw/zinc/49/02/94/781490294.db2.gz PVSQLLVUXQFBSW-WDMOLILDSA-N 1 1 321.385 -1.283 20 0 DAADMO Cc1cc(N2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001092147242 781492078 /nfs/dbraw/zinc/49/20/78/781492078.db2.gz BSXXUZSROBGYJW-WDEREUQCSA-N 1 1 322.369 -1.182 20 0 DAADMO C[C@]12CN(C(=O)Cn3cncn3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001092256176 781495315 /nfs/dbraw/zinc/49/53/15/781495315.db2.gz ISISXFRRHXOLEK-XUJVJEKNSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)N1CCOCC1 ZINC001092328457 781495495 /nfs/dbraw/zinc/49/54/95/781495495.db2.gz CXDQALMPXOWVMJ-ZENOOKHLSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)c3nccnc3C(N)=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092259570 781495571 /nfs/dbraw/zinc/49/55/71/781495571.db2.gz IVDLZEJDUIPXLL-BMIGLBTASA-N 1 1 319.365 -1.038 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@H]1CCC(=O)N1 ZINC001092356014 781495836 /nfs/dbraw/zinc/49/58/36/781495836.db2.gz FSTGYVQLFPPSFP-GHMZBOCLSA-N 1 1 319.365 -1.274 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1COCCO1 ZINC001092353516 781495865 /nfs/dbraw/zinc/49/58/65/781495865.db2.gz XYWAKSSIORVIHF-RYUDHWBXSA-N 1 1 322.365 -1.137 20 0 DAADMO C[C@]12CN(C(=O)CN3C(=O)CNC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092260251 781496158 /nfs/dbraw/zinc/49/61/58/781496158.db2.gz QMVUPAFLOPNBLS-YGRLFVJLSA-N 1 1 310.354 -1.689 20 0 DAADMO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC001092260038 781496535 /nfs/dbraw/zinc/49/65/35/781496535.db2.gz ILFUJWDISQHVCX-ABAIWWIYSA-N 1 1 324.381 -1.035 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092401543 781497810 /nfs/dbraw/zinc/49/78/10/781497810.db2.gz BUSIDDRACPJAST-JTQLQIEISA-N 1 1 317.353 -1.110 20 0 DAADMO CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001092393429 781498483 /nfs/dbraw/zinc/49/84/83/781498483.db2.gz IHAOYKWWHIRUGA-VHSXEESVSA-N 1 1 307.354 -1.025 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CNC(=O)N1 ZINC001092390883 781498720 /nfs/dbraw/zinc/49/87/20/781498720.db2.gz IIXDDQZWZARFKK-UWVGGRQHSA-N 1 1 320.353 -1.871 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092523068 781499770 /nfs/dbraw/zinc/49/97/70/781499770.db2.gz ZNRVUMLERJCYGF-JHJVBQTASA-N 1 1 312.414 -1.253 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC001092686308 781499811 /nfs/dbraw/zinc/49/98/11/781499811.db2.gz GNLQDDPJAOAHJE-OUAUKWLOSA-N 1 1 321.381 -1.048 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001092638826 781500955 /nfs/dbraw/zinc/50/09/55/781500955.db2.gz KMKNSDJYCNUPOC-NXEZZACHSA-N 1 1 317.353 -1.093 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC001092692956 781501476 /nfs/dbraw/zinc/50/14/76/781501476.db2.gz JDWWGJLIEOQSOD-GHMZBOCLSA-N 1 1 321.381 -1.176 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893357 781501951 /nfs/dbraw/zinc/50/19/51/781501951.db2.gz PSKGBCUEJHOANW-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893357 781501955 /nfs/dbraw/zinc/50/19/55/781501955.db2.gz PSKGBCUEJHOANW-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092892425 781502288 /nfs/dbraw/zinc/50/22/88/781502288.db2.gz BDRFZDMAMLUUHW-GHMZBOCLSA-N 1 1 319.373 -1.201 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893926 781502715 /nfs/dbraw/zinc/50/27/15/781502715.db2.gz FAJWNKRTUFPDGD-GHMZBOCLSA-N 1 1 321.385 -1.260 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092892930 781502835 /nfs/dbraw/zinc/50/28/35/781502835.db2.gz JMGQNIXOYLWOEW-OPRDCNLKSA-N 1 1 309.374 -1.228 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092893047 781503691 /nfs/dbraw/zinc/50/36/91/781503691.db2.gz KCGNPUWKLWBKBO-GMTAPVOTSA-N 1 1 323.401 -1.016 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092929369 781504484 /nfs/dbraw/zinc/50/44/84/781504484.db2.gz UBEOCERCGGOKGY-FOGDFJRCSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092929369 781504493 /nfs/dbraw/zinc/50/44/93/781504493.db2.gz UBEOCERCGGOKGY-FOGDFJRCSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928066 781505876 /nfs/dbraw/zinc/50/58/76/781505876.db2.gz JEDYPLRFRKLPEJ-MXWKQRLJSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092928066 781505886 /nfs/dbraw/zinc/50/58/86/781505886.db2.gz JEDYPLRFRKLPEJ-MXWKQRLJSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203396 781507380 /nfs/dbraw/zinc/50/73/80/781507380.db2.gz OOEBGIQACMPWAA-OPRDCNLKSA-N 1 1 318.399 -2.153 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001098351696 781508032 /nfs/dbraw/zinc/50/80/32/781508032.db2.gz SNRLMXTVJDBSMD-MNOVXSKESA-N 1 1 316.402 -1.291 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001093225752 781508275 /nfs/dbraw/zinc/50/82/75/781508275.db2.gz ROEUUFYJBBGXPK-GHMZBOCLSA-N 1 1 324.385 -1.557 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1)NC(N)=O ZINC001149720965 781508899 /nfs/dbraw/zinc/50/88/99/781508899.db2.gz GTVNQHXGDUPGHT-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC001093233279 781509779 /nfs/dbraw/zinc/50/97/79/781509779.db2.gz JITRMURUIXQZDX-OUAUKWLOSA-N 1 1 323.397 -1.105 20 0 DAADMO C[C@@H](O)C[NH+]1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001093506034 781512936 /nfs/dbraw/zinc/51/29/36/781512936.db2.gz VCNPSANJENNSMQ-LLVKDONJSA-N 1 1 324.385 -1.254 20 0 DAADMO COC(=O)c1nccc(NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001093542545 781513920 /nfs/dbraw/zinc/51/39/20/781513920.db2.gz GPHUXTLRGUIVSR-SNVBAGLBSA-N 1 1 323.353 -1.456 20 0 DAADMO COC(=O)c1nccc(NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001093542545 781513924 /nfs/dbraw/zinc/51/39/24/781513924.db2.gz GPHUXTLRGUIVSR-SNVBAGLBSA-N 1 1 323.353 -1.456 20 0 DAADMO C[C@H](O)C[NH+]1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001093561438 781517448 /nfs/dbraw/zinc/51/74/48/781517448.db2.gz OIPPQDWLCBCHFA-JTQLQIEISA-N 1 1 324.385 -1.104 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093654588 781518124 /nfs/dbraw/zinc/51/81/24/781518124.db2.gz GTCWBRXOKGVYFU-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNc2nccn3nnnc23)C1 ZINC001093654588 781518135 /nfs/dbraw/zinc/51/81/35/781518135.db2.gz GTCWBRXOKGVYFU-JTQLQIEISA-N 1 1 320.357 -1.232 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093647734 781518230 /nfs/dbraw/zinc/51/82/30/781518230.db2.gz DJBGBTOWXBACHF-IJLUTSLNSA-N 1 1 324.385 -1.190 20 0 DAADMO CNC(=O)CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098353047 781521910 /nfs/dbraw/zinc/52/19/10/781521910.db2.gz RAWRALBHQNYINK-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCCO1 ZINC001149817429 781524818 /nfs/dbraw/zinc/52/48/18/781524818.db2.gz PPABTDCGKVVJFK-LLVKDONJSA-N 1 1 302.375 -1.231 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094046091 781528275 /nfs/dbraw/zinc/52/82/75/781528275.db2.gz NBMSGPQAWVDXAM-DBIOUOCHSA-N 1 1 321.385 -1.484 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094177243 781531237 /nfs/dbraw/zinc/53/12/37/781531237.db2.gz RTKNMNSFJUKMNF-MXWKQRLJSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cn(C2CN(CC(N)=O)C2)nn1 ZINC001094278915 781535317 /nfs/dbraw/zinc/53/53/17/781535317.db2.gz RFIHYNVDMJPKGH-GFCCVEGCSA-N 1 1 321.385 -1.670 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCNc2nccn3nnnc23)O1 ZINC001094226015 781535772 /nfs/dbraw/zinc/53/57/72/781535772.db2.gz HMHIXQOANSIJNM-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCNc2nccn3nnnc23)O1 ZINC001094226015 781535778 /nfs/dbraw/zinc/53/57/78/781535778.db2.gz HMHIXQOANSIJNM-NXEZZACHSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001094315593 781537807 /nfs/dbraw/zinc/53/78/07/781537807.db2.gz UHDKEWNEKGALGD-GZMMTYOYSA-N 1 1 323.357 -2.187 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001094315594 781538052 /nfs/dbraw/zinc/53/80/52/781538052.db2.gz UHDKEWNEKGALGD-KCJUWKMLSA-N 1 1 323.357 -2.187 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@@H]1CNC(=O)N1 ZINC001094315367 781538355 /nfs/dbraw/zinc/53/83/55/781538355.db2.gz KEHFNVPPLIXKLQ-NSHDSACASA-N 1 1 323.357 -2.185 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001094315596 781538593 /nfs/dbraw/zinc/53/85/93/781538593.db2.gz UHDKEWNEKGALGD-LDYMZIIASA-N 1 1 323.357 -2.187 20 0 DAADMO Cn1nnc(C(=O)NCc2cn(C3C[NH+](CCCF)C3)nn2)n1 ZINC001094310728 781538609 /nfs/dbraw/zinc/53/86/09/781538609.db2.gz OIFDJKRGMWSYJA-UHFFFAOYSA-N 1 1 323.336 -1.052 20 0 DAADMO Cn1nnc(C(=O)NCc2cn(C3C[NH+](CC4CC4)C3)nn2)n1 ZINC001094310818 781538643 /nfs/dbraw/zinc/53/86/43/781538643.db2.gz UMIOFXBTGJXEEX-UHFFFAOYSA-N 1 1 317.357 -1.002 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@H]1CCNC1=O ZINC001094311117 781538718 /nfs/dbraw/zinc/53/87/18/781538718.db2.gz JLPKJDIIQZCIRT-LBPRGKRZSA-N 1 1 322.369 -1.731 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC001094288059 781540014 /nfs/dbraw/zinc/54/00/14/781540014.db2.gz DDNWNKSMLSFEOD-VIFPVBQESA-N 1 1 320.357 -1.426 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001094330533 781541777 /nfs/dbraw/zinc/54/17/77/781541777.db2.gz KKUGQZZEZGQCQU-QMMMGPOBSA-N 1 1 307.314 -1.171 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3COC(=O)N3)CCC[C@@H]12 ZINC001094407549 781542994 /nfs/dbraw/zinc/54/29/94/781542994.db2.gz RUYGHKKKHLLGBU-GPCCPHFNSA-N 1 1 310.354 -1.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001094502110 781545842 /nfs/dbraw/zinc/54/58/42/781545842.db2.gz STWWJKXXBUISPF-IMSIIYSGSA-N 1 1 309.370 -1.486 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)C1 ZINC001094712321 781550684 /nfs/dbraw/zinc/55/06/84/781550684.db2.gz VFHBSHNVPUJQRH-QWRGUYRKSA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094711298 781550912 /nfs/dbraw/zinc/55/09/12/781550912.db2.gz CWTYLMRBHVSTCB-LLVKDONJSA-N 1 1 321.381 -1.183 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3ccon3)CC2=O)C1 ZINC001094713757 781552059 /nfs/dbraw/zinc/55/20/59/781552059.db2.gz HDCPFYGIFNMBGZ-PWSUYJOCSA-N 1 1 322.365 -1.001 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094714508 781552660 /nfs/dbraw/zinc/55/26/60/781552660.db2.gz XVDHJPHAGYPVJS-AAEUAGOBSA-N 1 1 310.398 -1.526 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CC(N)=O)C2)C1 ZINC001094714365 781553288 /nfs/dbraw/zinc/55/32/88/781553288.db2.gz VWSFGKAVFDUWSS-CMPLNLGQSA-N 1 1 323.397 -2.033 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CN(C)CCO3)CC2=O)C1 ZINC001094715429 781553379 /nfs/dbraw/zinc/55/33/79/781553379.db2.gz LTHNQBJSTOPIRS-DGCLKSJQSA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094717842 781554159 /nfs/dbraw/zinc/55/41/59/781554159.db2.gz ONZUIOWSHXJFLR-LBPRGKRZSA-N 1 1 321.381 -1.264 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)CC2=O)C1 ZINC001094720667 781554386 /nfs/dbraw/zinc/55/43/86/781554386.db2.gz OSNGQYSQRQOQKS-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 ZINC001094721900 781554404 /nfs/dbraw/zinc/55/44/04/781554404.db2.gz MVJOKWJGHNVMTM-QWRGUYRKSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 ZINC001094721899 781554427 /nfs/dbraw/zinc/55/44/27/781554427.db2.gz MVJOKWJGHNVMTM-MNOVXSKESA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094718282 781554498 /nfs/dbraw/zinc/55/44/98/781554498.db2.gz YPLOWKIQZRLHQY-JQWIXIFHSA-N 1 1 321.381 -1.266 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700006 781557469 /nfs/dbraw/zinc/55/74/69/781557469.db2.gz AVVIMWMDELIZAR-ZJUUUORDSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094702520 781559337 /nfs/dbraw/zinc/55/93/37/781559337.db2.gz BJPPPYVTSFAXOP-CMPLNLGQSA-N 1 1 321.381 -1.184 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)nn3)CC2=O)C1 ZINC001094729605 781561555 /nfs/dbraw/zinc/56/15/55/781561555.db2.gz HFQYZRROWCEPIA-NXEZZACHSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 ZINC001094729613 781562126 /nfs/dbraw/zinc/56/21/26/781562126.db2.gz HFQYZRROWCEPIA-UWVGGRQHSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)nn3)CC2=O)C1 ZINC001094729615 781562364 /nfs/dbraw/zinc/56/23/64/781562364.db2.gz HFQYZRROWCEPIA-VHSXEESVSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734415 781562823 /nfs/dbraw/zinc/56/28/23/781562823.db2.gz YERLLYXUMIYTSU-ZJUUUORDSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncc[nH]3)CC2=O)C1 ZINC001094733876 781563526 /nfs/dbraw/zinc/56/35/26/781563526.db2.gz OUWGUUNXYORHGZ-UWVGGRQHSA-N 1 1 307.354 -1.195 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734412 781563555 /nfs/dbraw/zinc/56/35/55/781563555.db2.gz YERLLYXUMIYTSU-NXEZZACHSA-N 1 1 322.369 -1.789 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094736849 781564526 /nfs/dbraw/zinc/56/45/26/781564526.db2.gz OMIAEMVWYXVSLZ-SNVBAGLBSA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094735338 781564901 /nfs/dbraw/zinc/56/49/01/781564901.db2.gz LDEHXIPRRNOLRE-SNVBAGLBSA-N 1 1 322.369 -1.788 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736544 781565134 /nfs/dbraw/zinc/56/51/34/781565134.db2.gz KSOUVNXVENUOOC-UWVGGRQHSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735496 781565271 /nfs/dbraw/zinc/56/52/71/781565271.db2.gz PRQUWFSLOZJEMQ-ZJUUUORDSA-N 1 1 322.369 -1.789 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736546 781565290 /nfs/dbraw/zinc/56/52/90/781565290.db2.gz KSOUVNXVENUOOC-ZJUUUORDSA-N 1 1 323.357 -2.545 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CCOCC3=O)CC2=O)C1 ZINC001094746432 781566151 /nfs/dbraw/zinc/56/61/51/781566151.db2.gz VPWPPRRPVJWPSE-LLVKDONJSA-N 1 1 324.381 -1.734 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094746573 781566446 /nfs/dbraw/zinc/56/64/46/781566446.db2.gz WGIJZKSZXZLMHI-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCNC3=O)CC2=O)C1 ZINC001094747345 781567883 /nfs/dbraw/zinc/56/78/83/781567883.db2.gz PVVURRLPZFWJCZ-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094799858 781569063 /nfs/dbraw/zinc/56/90/63/781569063.db2.gz RYLNUDMARLATEP-IUCAKERBSA-N 1 1 309.326 -1.535 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cnon1 ZINC001094799130 781569194 /nfs/dbraw/zinc/56/91/94/781569194.db2.gz FTRNGEVCRTVXBQ-SECBINFHSA-N 1 1 309.326 -1.533 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094756890 781569908 /nfs/dbraw/zinc/56/99/08/781569908.db2.gz MNEPGZVAFXXWDU-WDEREUQCSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCNC(=O)C3)CC2=O)C1 ZINC001094768160 781570424 /nfs/dbraw/zinc/57/04/24/781570424.db2.gz QDVQYEVGVWDVGP-NSHDSACASA-N 1 1 323.397 -2.161 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768400 781570914 /nfs/dbraw/zinc/57/09/14/781570914.db2.gz SWIMDRSHOAETMR-ZYHUDNBSSA-N 1 1 323.397 -1.180 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773285 781571954 /nfs/dbraw/zinc/57/19/54/781571954.db2.gz BPTXGCHHTAQILX-VIFPVBQESA-N 1 1 307.358 -1.365 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094772115 781572133 /nfs/dbraw/zinc/57/21/33/781572133.db2.gz ORVHYYSPZKYRNG-JTQLQIEISA-N 1 1 322.369 -1.490 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773281 781572901 /nfs/dbraw/zinc/57/29/01/781572901.db2.gz BPTXGCHHTAQILX-SECBINFHSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094772345 781573111 /nfs/dbraw/zinc/57/31/11/781573111.db2.gz RHAXNTWZSSPOOA-ZWHRIJBZSA-N 1 1 323.393 -1.339 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2=O)C1 ZINC001094777174 781574260 /nfs/dbraw/zinc/57/42/60/781574260.db2.gz PJYQYKGKLIQGDR-MWLCHTKSSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094785373 781576792 /nfs/dbraw/zinc/57/67/92/781576792.db2.gz NLULGWJNFWNHDJ-JLLWLGSASA-N 1 1 324.381 -2.109 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001094780638 781577371 /nfs/dbraw/zinc/57/73/71/781577371.db2.gz ZRBDQCQWZSKHBX-PWSUYJOCSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094789145 781578372 /nfs/dbraw/zinc/57/83/72/781578372.db2.gz WMCLNOHXWQEGGE-JQWIXIFHSA-N 1 1 319.365 -1.128 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 ZINC001094787047 781578939 /nfs/dbraw/zinc/57/89/39/781578939.db2.gz KDWORNRBBDVKFP-WCQGTBRESA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 ZINC001094814553 781580119 /nfs/dbraw/zinc/58/01/19/781580119.db2.gz GDOZFSZIJFYWFR-WDEREUQCSA-N 1 1 321.381 -1.184 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094814629 781580320 /nfs/dbraw/zinc/58/03/20/781580320.db2.gz HEJJJGPFHSWYHV-VXGBXAGGSA-N 1 1 310.398 -1.668 20 0 DAADMO Cn1ccc(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCCO)C3)C2)n1 ZINC001094814647 781580401 /nfs/dbraw/zinc/58/04/01/781580401.db2.gz HQNJHYXITVZBPM-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094815323 781580871 /nfs/dbraw/zinc/58/08/71/781580871.db2.gz RBJPWGZUTSFTAB-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094817798 781581689 /nfs/dbraw/zinc/58/16/89/781581689.db2.gz QPZWPTKAFUZEAU-LBPRGKRZSA-N 1 1 321.381 -1.415 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)c(=O)n3C)CC2=O)C1 ZINC001094818486 781582097 /nfs/dbraw/zinc/58/20/97/781582097.db2.gz CNSJDOWBNPNKDI-JTQLQIEISA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3ncc[nH]3)CC2=O)C1 ZINC001094804149 781582276 /nfs/dbraw/zinc/58/22/76/781582276.db2.gz UOUBUSAIPNFLLO-QWRGUYRKSA-N 1 1 321.381 -1.266 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cccnn1 ZINC001094803506 781582856 /nfs/dbraw/zinc/58/28/56/781582856.db2.gz NEVMFFUTFHHPCF-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094826096 781584144 /nfs/dbraw/zinc/58/41/44/781584144.db2.gz ZQQUTNXSGHBOGL-ZJUUUORDSA-N 1 1 322.365 -1.540 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094820173 781584378 /nfs/dbraw/zinc/58/43/78/781584378.db2.gz FUBWMFKVKDYUCC-JTQLQIEISA-N 1 1 323.353 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094809930 781584390 /nfs/dbraw/zinc/58/43/90/781584390.db2.gz RDUKIRFUWLCUCT-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)CC2=O)C1 ZINC001094826095 781584425 /nfs/dbraw/zinc/58/44/25/781584425.db2.gz ZQQUTNXSGHBOGL-VHSXEESVSA-N 1 1 322.365 -1.540 20 0 DAADMO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1cnn[nH]1 ZINC001171652553 781586384 /nfs/dbraw/zinc/58/63/84/781586384.db2.gz VXQNQYSCNJEZNA-MRVPVSSYSA-N 1 1 311.346 -1.122 20 0 DAADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110744 781589310 /nfs/dbraw/zinc/58/93/10/781589310.db2.gz OJIVZDTXVVXDIY-DSSXTABUSA-N 1 1 316.398 -1.609 20 0 DAADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001172110745 781589950 /nfs/dbraw/zinc/58/99/50/781589950.db2.gz OJIVZDTXVVXDIY-JIQQANBZSA-N 1 1 316.398 -1.609 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001095155075 781594109 /nfs/dbraw/zinc/59/41/09/781594109.db2.gz FVJKFKGYMBTBAJ-WOPDTQHZSA-N 1 1 317.357 -1.314 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157006 781594586 /nfs/dbraw/zinc/59/45/86/781594586.db2.gz VJRCRBWEDWMEMF-VLEAKVRGSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095157006 781594596 /nfs/dbraw/zinc/59/45/96/781594596.db2.gz VJRCRBWEDWMEMF-VLEAKVRGSA-N 1 1 307.358 -1.471 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C[C@@H]1C(=O)OC ZINC001173570062 781595131 /nfs/dbraw/zinc/59/51/31/781595131.db2.gz PQWWMILHNLKVIP-MAUMQABQSA-N 1 1 315.326 -1.954 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217620 781595838 /nfs/dbraw/zinc/59/58/38/781595838.db2.gz ADDJPMFXSBSOOT-BDAKNGLRSA-N 1 1 312.326 -2.516 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150217620 781595841 /nfs/dbraw/zinc/59/58/41/781595841.db2.gz ADDJPMFXSBSOOT-BDAKNGLRSA-N 1 1 312.326 -2.516 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001098359422 781596729 /nfs/dbraw/zinc/59/67/29/781596729.db2.gz QDVFDTIPDDWFGC-CMPLNLGQSA-N 1 1 315.370 -1.239 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001098359425 781596774 /nfs/dbraw/zinc/59/67/74/781596774.db2.gz QDVFDTIPDDWFGC-PWSUYJOCSA-N 1 1 315.370 -1.239 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001098359423 781596948 /nfs/dbraw/zinc/59/69/48/781596948.db2.gz QDVFDTIPDDWFGC-JQWIXIFHSA-N 1 1 315.370 -1.239 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001150255386 781597042 /nfs/dbraw/zinc/59/70/42/781597042.db2.gz ZOKHYNDMNNSKHM-WDEREUQCSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001150255386 781597049 /nfs/dbraw/zinc/59/70/49/781597049.db2.gz ZOKHYNDMNNSKHM-WDEREUQCSA-N 1 1 324.381 -1.653 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001098359428 781597556 /nfs/dbraw/zinc/59/75/56/781597556.db2.gz QDVFDTIPDDWFGC-ZYHUDNBSSA-N 1 1 315.370 -1.239 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CC[C@@H]2NC(=O)NC2=O)nn1 ZINC001150401453 781599121 /nfs/dbraw/zinc/59/91/21/781599121.db2.gz XDXSOAFFGMMTCH-JTQLQIEISA-N 1 1 323.357 -1.508 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)nn1 ZINC001150401454 781599523 /nfs/dbraw/zinc/59/95/23/781599523.db2.gz XDXSOAFFGMMTCH-SNVBAGLBSA-N 1 1 323.357 -1.508 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)CS(=O)(=O)N(C)C)n1 ZINC001174918745 781601315 /nfs/dbraw/zinc/60/13/15/781601315.db2.gz DQSTZLMFCWUGDD-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2[nH]nnc2c1 ZINC001175809106 781611813 /nfs/dbraw/zinc/61/18/13/781611813.db2.gz GSATZXOOTKAJNC-UHFFFAOYSA-N 1 1 319.325 -1.138 20 0 DAADMO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1ncn[nH]1 ZINC001175762106 781612453 /nfs/dbraw/zinc/61/24/53/781612453.db2.gz SNIDZZZZHPLKJI-MRVPVSSYSA-N 1 1 311.346 -1.122 20 0 DAADMO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)c1nc[nH]n1 ZINC001175762106 781612456 /nfs/dbraw/zinc/61/24/56/781612456.db2.gz SNIDZZZZHPLKJI-MRVPVSSYSA-N 1 1 311.346 -1.122 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)CN1CCCC1 ZINC001176110285 781614132 /nfs/dbraw/zinc/61/41/32/781614132.db2.gz JOYKNUOXYIMFBN-UHFFFAOYSA-N 1 1 306.432 -1.273 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC001176273396 781615999 /nfs/dbraw/zinc/61/59/99/781615999.db2.gz NXDMMTIDCHMRGG-LLVKDONJSA-N 1 1 318.370 -1.500 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1csnn1 ZINC001176335374 781616832 /nfs/dbraw/zinc/61/68/32/781616832.db2.gz CLRUKYAFLRJTKJ-UHFFFAOYSA-N 1 1 307.401 -1.317 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150578954 781617357 /nfs/dbraw/zinc/61/73/57/781617357.db2.gz HHKGNMXGUWEJMS-MNOVXSKESA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150578954 781617366 /nfs/dbraw/zinc/61/73/66/781617366.db2.gz HHKGNMXGUWEJMS-MNOVXSKESA-N 1 1 322.369 -1.557 20 0 DAADMO Cc1nnc(SCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)s1 ZINC001176930626 781624601 /nfs/dbraw/zinc/62/46/01/781624601.db2.gz JJDSHXVKDNEAAJ-XHNCKOQMSA-N 1 1 315.428 -1.542 20 0 DAADMO Cc1nnc(SCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)s1 ZINC001176930624 781625120 /nfs/dbraw/zinc/62/51/20/781625120.db2.gz JJDSHXVKDNEAAJ-VGMNWLOBSA-N 1 1 315.428 -1.542 20 0 DAADMO Cc1nnc(SCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)s1 ZINC001176930623 781625326 /nfs/dbraw/zinc/62/53/26/781625326.db2.gz JJDSHXVKDNEAAJ-HRDYMLBCSA-N 1 1 315.428 -1.542 20 0 DAADMO CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907702 781626353 /nfs/dbraw/zinc/62/63/53/781626353.db2.gz RNPGZTREDQMAIN-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907702 781626356 /nfs/dbraw/zinc/62/63/56/781626356.db2.gz RNPGZTREDQMAIN-NEPJUHHUSA-N 1 1 314.386 -1.007 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)c2cn(CC(N)=O)nn2)o1 ZINC001176956452 781627748 /nfs/dbraw/zinc/62/77/48/781627748.db2.gz YSDADUSUHJKBAZ-UHFFFAOYSA-N 1 1 322.329 -1.635 20 0 DAADMO Cc1ccnc(SCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001177502222 781635538 /nfs/dbraw/zinc/63/55/38/781635538.db2.gz RLISCULVFZIFRG-OUAUKWLOSA-N 1 1 309.399 -1.604 20 0 DAADMO Cc1ccnc(SCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001177502221 781636240 /nfs/dbraw/zinc/63/62/40/781636240.db2.gz RLISCULVFZIFRG-GARJFASQSA-N 1 1 309.399 -1.604 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)[C@@H]2NCN[C@H]21 ZINC001177629707 781638917 /nfs/dbraw/zinc/63/89/17/781638917.db2.gz RWRJBCVPIFMECZ-FQUUOJAGSA-N 1 1 320.397 -1.237 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)[C@@H]2NCN[C@H]21 ZINC001177629707 781638919 /nfs/dbraw/zinc/63/89/19/781638919.db2.gz RWRJBCVPIFMECZ-FQUUOJAGSA-N 1 1 320.397 -1.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150731035 781639512 /nfs/dbraw/zinc/63/95/12/781639512.db2.gz BKSURACQINDQLH-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)c1 ZINC001178043577 781640633 /nfs/dbraw/zinc/64/06/33/781640633.db2.gz MYWCNOCSSFHXQX-RWMBFGLXSA-N 1 1 318.381 -1.359 20 0 DAADMO Cc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)c1 ZINC001178074899 781642468 /nfs/dbraw/zinc/64/24/68/781642468.db2.gz UELHBBWLVUORJP-RWMBFGLXSA-N 1 1 302.382 -1.059 20 0 DAADMO Cc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)c1 ZINC001178074896 781642530 /nfs/dbraw/zinc/64/25/30/781642530.db2.gz UELHBBWLVUORJP-AGIUHOORSA-N 1 1 302.382 -1.059 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(F)cn3)CC2)[C@H]2NCN[C@@H]21 ZINC001178084749 781642663 /nfs/dbraw/zinc/64/26/63/781642663.db2.gz UDFQHKCLJSGKHT-IJLUTSLNSA-N 1 1 306.345 -1.229 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CN(c3cnccn3)C2)[C@H]2NCN[C@H]21 ZINC001178100227 781642871 /nfs/dbraw/zinc/64/28/71/781642871.db2.gz IYOHQAAHSLZNIH-QJPTWQEYSA-N 1 1 304.358 -2.568 20 0 DAADMO Cc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)c1 ZINC001178074898 781642970 /nfs/dbraw/zinc/64/29/70/781642970.db2.gz UELHBBWLVUORJP-FRRDWIJNSA-N 1 1 302.382 -1.059 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178211286 781644012 /nfs/dbraw/zinc/64/40/12/781644012.db2.gz YDLHFLOAIBYITL-IUCAKERBSA-N 1 1 311.346 -1.355 20 0 DAADMO Cc1cccnc1C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001178209742 781644308 /nfs/dbraw/zinc/64/43/08/781644308.db2.gz HVPAIIVECNFADN-WCFLWFBJSA-N 1 1 302.382 -1.059 20 0 DAADMO COc1cnc(F)c(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001178432687 781646092 /nfs/dbraw/zinc/64/60/92/781646092.db2.gz UETCHQSTVZEHFX-KGYLQXTDSA-N 1 1 310.333 -1.709 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178519753 781647532 /nfs/dbraw/zinc/64/75/32/781647532.db2.gz IGHFIIYPDLQMHH-UWVGGRQHSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)[C@@H]1C ZINC001178563673 781649158 /nfs/dbraw/zinc/64/91/58/781649158.db2.gz OGJAVJKESBMZAN-GUBZILKMSA-N 1 1 309.374 -1.049 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001178703043 781650657 /nfs/dbraw/zinc/65/06/57/781650657.db2.gz ZKSCAPBJJITVOM-KKKAVLQASA-N 1 1 304.343 -2.613 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001178703043 781650664 /nfs/dbraw/zinc/65/06/64/781650664.db2.gz ZKSCAPBJJITVOM-KKKAVLQASA-N 1 1 304.343 -2.613 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C)NC(N)=O ZINC001178685505 781650704 /nfs/dbraw/zinc/65/07/04/781650704.db2.gz VMFHQXCWQDDCII-UTLUCORTSA-N 1 1 324.389 -1.264 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001178834943 781652194 /nfs/dbraw/zinc/65/21/94/781652194.db2.gz CZPTVEBTCCGWGX-IUCAKERBSA-N 1 1 310.362 -1.782 20 0 DAADMO C[NH+]1CCN(CC(=O)NC2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001178954295 781653607 /nfs/dbraw/zinc/65/36/07/781653607.db2.gz ZPEUYGUNPZUBDN-UHFFFAOYSA-N 1 1 301.412 -1.073 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)[C@@H]1C ZINC001178849199 781653567 /nfs/dbraw/zinc/65/35/67/781653567.db2.gz HYKBKCQCVKYDHJ-UTLUCORTSA-N 1 1 324.389 -1.221 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)[C@@H]1C ZINC001178849179 781653765 /nfs/dbraw/zinc/65/37/65/781653765.db2.gz HYKBKCQCVKYDHJ-GUBZILKMSA-N 1 1 324.389 -1.221 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)CN1CC[NH+](C)CC1 ZINC001178956419 781654758 /nfs/dbraw/zinc/65/47/58/781654758.db2.gz RWLSOQYAXXDNAW-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC[N@@H+](C)CC1 ZINC001178974147 781654771 /nfs/dbraw/zinc/65/47/71/781654771.db2.gz FZMONFAVEDFSOB-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)N1CCN(CC(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001179036188 781655953 /nfs/dbraw/zinc/65/59/53/781655953.db2.gz ZOVCFGBESXPBQM-UHFFFAOYSA-N 1 1 310.398 -1.401 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001179303511 781659188 /nfs/dbraw/zinc/65/91/88/781659188.db2.gz FWJSIUDZCWPPNT-GUBZILKMSA-N 1 1 309.374 -1.199 20 0 DAADMO COC[C@H](OC)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C ZINC001179503152 781660751 /nfs/dbraw/zinc/66/07/51/781660751.db2.gz QPWNLHCGNOTWHJ-DCAQKATOSA-N 1 1 312.374 -1.050 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COc2ccc(CO)cc2)[C@H]2NCN[C@H]21 ZINC001179664648 781661394 /nfs/dbraw/zinc/66/13/94/781661394.db2.gz DEVUQAIEFCTQKY-BFHYXJOUSA-N 1 1 307.354 -1.923 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C(F)(F)C(F)(F)Cl)[C@H]2NCN[C@H]21 ZINC001179781703 781662620 /nfs/dbraw/zinc/66/26/20/781662620.db2.gz MKLRJCAODDWYIQ-VPENINKCSA-N 1 1 305.663 -1.028 20 0 DAADMO COc1ccc(/C=C/C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1O ZINC001179672420 781663147 /nfs/dbraw/zinc/66/31/47/781663147.db2.gz TZIMAVWOVROXRV-FJYRELEDSA-N 1 1 319.365 -1.067 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001206406613 781665425 /nfs/dbraw/zinc/66/54/25/781665425.db2.gz ZQVOSXPNGOAEMU-PJGZEUCASA-N 1 1 303.355 -1.101 20 0 DAADMO COc1cc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1F ZINC001180429924 781671868 /nfs/dbraw/zinc/67/18/68/781671868.db2.gz QXKAMPVNGYBQBO-HZSPNIEDSA-N 1 1 309.345 -1.104 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCC(=O)N2CCOCC2)[C@H]2NCN[C@@H]21 ZINC001180499761 781672371 /nfs/dbraw/zinc/67/23/71/781672371.db2.gz ZFLGERDYPJRDSF-JHJVBQTASA-N 1 1 312.374 -2.856 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]2NCN[C@@H]21 ZINC001180597064 781675009 /nfs/dbraw/zinc/67/50/09/781675009.db2.gz DKSNDQWCXXBSPN-GMTAPVOTSA-N 1 1 318.403 -3.764 20 0 DAADMO CC(=O)N1CCC(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001180659275 781675572 /nfs/dbraw/zinc/67/55/72/781675572.db2.gz VANHFEFLKFSGTE-IHRRRGAJSA-N 1 1 310.402 -1.846 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001180761160 781676207 /nfs/dbraw/zinc/67/62/07/781676207.db2.gz XMSNQEGMHLJRAB-LLVKDONJSA-N 1 1 322.369 -1.413 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001180761160 781676212 /nfs/dbraw/zinc/67/62/12/781676212.db2.gz XMSNQEGMHLJRAB-LLVKDONJSA-N 1 1 322.369 -1.413 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760307 781677446 /nfs/dbraw/zinc/67/74/46/781677446.db2.gz SLTFVSIDYLAVHV-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760307 781677454 /nfs/dbraw/zinc/67/74/54/781677454.db2.gz SLTFVSIDYLAVHV-WDEREUQCSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763619 781678023 /nfs/dbraw/zinc/67/80/23/781678023.db2.gz KEFXLOVRAKRFJB-RYUDHWBXSA-N 1 1 310.354 -1.049 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763619 781678030 /nfs/dbraw/zinc/67/80/30/781678030.db2.gz KEFXLOVRAKRFJB-RYUDHWBXSA-N 1 1 310.354 -1.049 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001180762820 781678315 /nfs/dbraw/zinc/67/83/15/781678315.db2.gz FZDJBQBYMOHEFB-FFCWFDRBSA-N 1 1 306.315 -3.767 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001180762820 781678322 /nfs/dbraw/zinc/67/83/22/781678322.db2.gz FZDJBQBYMOHEFB-FFCWFDRBSA-N 1 1 306.315 -3.767 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1)c1nnnn1C1CC1 ZINC001180906404 781680612 /nfs/dbraw/zinc/68/06/12/781680612.db2.gz MLTDDAFTKPATAB-DTWKUNHWSA-N 1 1 322.373 -1.072 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1)c1nnnn1C1CC1 ZINC001180906405 781680622 /nfs/dbraw/zinc/68/06/22/781680622.db2.gz MLTDDAFTKPATAB-RKDXNWHRSA-N 1 1 322.373 -1.072 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897135 781680770 /nfs/dbraw/zinc/68/07/70/781680770.db2.gz CGSTVYGDHKBOHA-SECBINFHSA-N 1 1 324.389 -1.213 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 ZINC000264676340 781680831 /nfs/dbraw/zinc/68/08/31/781680831.db2.gz ZZOPLGUGFOJNAI-UHFFFAOYSA-N 1 1 311.342 -2.135 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)n1C ZINC001180897358 781680957 /nfs/dbraw/zinc/68/09/57/781680957.db2.gz IGLIKWFLKZZPAX-SECBINFHSA-N 1 1 309.374 -1.264 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001180897385 781681044 /nfs/dbraw/zinc/68/10/44/781681044.db2.gz JSEFXMNXTBYGDP-SNVBAGLBSA-N 1 1 321.385 -1.027 20 0 DAADMO COC(=O)C1CC2(C1)CC(C(=O)N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C2 ZINC001181065246 781682700 /nfs/dbraw/zinc/68/27/00/781682700.db2.gz UJBGIZLHHOMXAC-UFIHSNOWSA-N 1 1 323.397 -1.515 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3nccnc3c2)[C@H]2NCN[C@@H]21 ZINC001181025847 781682826 /nfs/dbraw/zinc/68/28/26/781682826.db2.gz WIDJPGVRCICWNI-RBSFLKMASA-N 1 1 313.365 -1.309 20 0 DAADMO CN1C(=O)C[C@@H](C(=O)N2CC([N@@H+](C)[C@H]3CCOC3)C2)NC1=O ZINC001181130124 781683748 /nfs/dbraw/zinc/68/37/48/781683748.db2.gz PNIHKTYPNAWJSJ-ONGXEEELSA-N 1 1 310.354 -1.142 20 0 DAADMO CCc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)n[nH]1 ZINC001181074896 781684455 /nfs/dbraw/zinc/68/44/55/781684455.db2.gz DIUCXYPTPHFOJA-SECBINFHSA-N 1 1 308.342 -1.029 20 0 DAADMO COC(=O)c1ccccc1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181230644 781685915 /nfs/dbraw/zinc/68/59/15/781685915.db2.gz HPLLPMOCKDAWFS-HZSPNIEDSA-N 1 1 319.365 -1.465 20 0 DAADMO CCCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001181370725 781688149 /nfs/dbraw/zinc/68/81/49/781688149.db2.gz ZMWGWFQCINULLI-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CC2CCS(=O)(=O)CC2)[C@@H]2NCN[C@H]21 ZINC001181543073 781689927 /nfs/dbraw/zinc/68/99/27/781689927.db2.gz BYDXTNDPYCCKAL-TUAOUCFPSA-N 1 1 317.415 -2.280 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001181681339 781691112 /nfs/dbraw/zinc/69/11/12/781691112.db2.gz MDUCVCLEKZCMEJ-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO COc1ccc(COCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001181754950 781692257 /nfs/dbraw/zinc/69/22/57/781692257.db2.gz GMRMTLQDHMBVPV-ILXRZTDVSA-N 1 1 321.381 -1.269 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001181779961 781692321 /nfs/dbraw/zinc/69/23/21/781692321.db2.gz PMZJZDXQTZPCDZ-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]2NCN[C@H]21 ZINC001181901948 781694510 /nfs/dbraw/zinc/69/45/10/781694510.db2.gz LJMINQMUVQQGGG-WUHRBBMRSA-N 1 1 305.338 -1.655 20 0 DAADMO CN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)Oc2ccccc21 ZINC001181970508 781696325 /nfs/dbraw/zinc/69/63/25/781696325.db2.gz NFOHCJKYIXHIHI-MQYQWHSLSA-N 1 1 318.381 -1.597 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2[nH]nc3ccccc32)[C@H]2NCN[C@@H]21 ZINC001182064365 781697915 /nfs/dbraw/zinc/69/79/15/781697915.db2.gz IPYKGGFOHMMILV-MGPQQGTHSA-N 1 1 301.354 -1.376 20 0 DAADMO NC(=O)CC1(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CCCCC1 ZINC001182185493 781700604 /nfs/dbraw/zinc/70/06/04/781700604.db2.gz PDMLWTSDMUXRRV-IHRRRGAJSA-N 1 1 324.429 -1.279 20 0 DAADMO NC(=O)CC1(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CCCCC1 ZINC001182185495 781700872 /nfs/dbraw/zinc/70/08/72/781700872.db2.gz PDMLWTSDMUXRRV-MELADBBJSA-N 1 1 324.429 -1.279 20 0 DAADMO CCCCOCCOCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182213815 781702408 /nfs/dbraw/zinc/70/24/08/781702408.db2.gz LPZSBWFOMJEFCH-FRRDWIJNSA-N 1 1 301.391 -1.661 20 0 DAADMO O=C(CN1CCCC1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001151098377 781702860 /nfs/dbraw/zinc/70/28/60/781702860.db2.gz YVXPJCSMWMEFKJ-ZDUSSCGKSA-N 1 1 312.414 -1.229 20 0 DAADMO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2)C1CC1 ZINC001110269234 781702920 /nfs/dbraw/zinc/70/29/20/781702920.db2.gz WARDJNDUIZCPLU-UTUOFQBUSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2)C1CC1 ZINC001110269234 781702926 /nfs/dbraw/zinc/70/29/26/781702926.db2.gz WARDJNDUIZCPLU-UTUOFQBUSA-N 1 1 323.397 -1.003 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110275748 781704157 /nfs/dbraw/zinc/70/41/57/781704157.db2.gz UYVUJSBNLKIKGV-MXWKQRLJSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110275748 781704162 /nfs/dbraw/zinc/70/41/62/781704162.db2.gz UYVUJSBNLKIKGV-MXWKQRLJSA-N 1 1 309.370 -1.392 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110272282 781704538 /nfs/dbraw/zinc/70/45/38/781704538.db2.gz RVGNIIIRGPNEFD-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110272282 781704542 /nfs/dbraw/zinc/70/45/42/781704542.db2.gz RVGNIIIRGPNEFD-WISYIIOYSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001151152473 781704720 /nfs/dbraw/zinc/70/47/20/781704720.db2.gz ULMYVJFWEIKPJW-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001110271990 781704746 /nfs/dbraw/zinc/70/47/46/781704746.db2.gz FKQAEEUBBWSWKN-WYUUTHIRSA-N 1 1 323.397 -1.003 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001182344257 781706151 /nfs/dbraw/zinc/70/61/51/781706151.db2.gz ODTZSCYQOGCUMQ-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151156434 781706336 /nfs/dbraw/zinc/70/63/36/781706336.db2.gz CKMRKUOKSVDOAK-QWHCGFSZSA-N 1 1 303.403 -1.332 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2NC(=O)c3ccccc32)[C@@H]2NCN[C@H]21 ZINC001182430340 781707015 /nfs/dbraw/zinc/70/70/15/781707015.db2.gz CODASNUVQBAUCN-KXNHARMFSA-N 1 1 302.338 -2.010 20 0 DAADMO C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)NC(N)=O ZINC001182554337 781709560 /nfs/dbraw/zinc/70/95/60/781709560.db2.gz TTXOTTZTCXUFFX-NXEZZACHSA-N 1 1 309.374 -1.048 20 0 DAADMO Cc1[nH]c2ncccc2c1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182618964 781710218 /nfs/dbraw/zinc/71/02/18/781710218.db2.gz GLLAFSPOEYEFIE-YDHLFZDLSA-N 1 1 315.381 -1.067 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001182802682 781711648 /nfs/dbraw/zinc/71/16/48/781711648.db2.gz MFTYWHXVBGQZDO-WDEREUQCSA-N 1 1 324.385 -1.343 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001182802681 781712509 /nfs/dbraw/zinc/71/25/09/781712509.db2.gz MFTYWHXVBGQZDO-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1)c1nnnn1C ZINC001151300409 781715413 /nfs/dbraw/zinc/71/54/13/781715413.db2.gz LIQMXRGTSCLXQN-HTQZYQBOSA-N 1 1 317.375 -2.331 20 0 DAADMO CN(CC(=O)NCC1([NH+]2CCCC2)COC1)S(C)(=O)=O ZINC001182883038 781715512 /nfs/dbraw/zinc/71/55/12/781715512.db2.gz IZJIITROCTWXIZ-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001182992820 781716647 /nfs/dbraw/zinc/71/66/47/781716647.db2.gz WMJCLJOWGPLPBI-SECBINFHSA-N 1 1 317.371 -1.301 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001183014741 781717529 /nfs/dbraw/zinc/71/75/29/781717529.db2.gz AZDZOROLBQDOPI-LLVKDONJSA-N 1 1 324.385 -1.092 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001183014758 781718651 /nfs/dbraw/zinc/71/86/51/781718651.db2.gz BGLJSHBGCJUZNV-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)CNC(=O)NC)C2)nn1 ZINC001183059998 781722790 /nfs/dbraw/zinc/72/27/90/781722790.db2.gz PXILLHFPDOHDST-SNVBAGLBSA-N 1 1 309.374 -1.083 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001183141973 781722903 /nfs/dbraw/zinc/72/29/03/781722903.db2.gz ZADVXQUBNDFXPD-JXUBOQSCSA-N 1 1 300.388 -2.573 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(O)cc3)CC2)[C@H]2NCN[C@H]21 ZINC001183344197 781724494 /nfs/dbraw/zinc/72/44/94/781724494.db2.gz WGUXGHRHVFKLEA-YNEHKIRRSA-N 1 1 303.366 -1.057 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001183403104 781725478 /nfs/dbraw/zinc/72/54/78/781725478.db2.gz NKZBNURWWFLQOA-OPRDCNLKSA-N 1 1 320.353 -1.101 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)[C@H]2NCN[C@H]21 ZINC001183388019 781725569 /nfs/dbraw/zinc/72/55/69/781725569.db2.gz GWVQQBYWBWENJT-GZBLMMOJSA-N 1 1 317.393 -1.199 20 0 DAADMO O=C(Cn1cc(F)c(=O)[nH]c1=O)NCC[NH+]1CC2(COC2)C1 ZINC001183663424 781730054 /nfs/dbraw/zinc/73/00/54/781730054.db2.gz CXWVDQCXWFUGQF-UHFFFAOYSA-N 1 1 312.301 -1.464 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001183722045 781732306 /nfs/dbraw/zinc/73/23/06/781732306.db2.gz OLHCQNGINMXYHC-SNVBAGLBSA-N 1 1 324.341 -1.988 20 0 DAADMO O=C(C[C@@H]1NC(=O)CNC1=O)NCc1[nH+]cn2ccccc12 ZINC001183732244 781735478 /nfs/dbraw/zinc/73/54/78/781735478.db2.gz VOJLPPLZLPQCAA-VIFPVBQESA-N 1 1 301.306 -1.045 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)C(=O)NCC(F)F)C2)nn1 ZINC001183853812 781736377 /nfs/dbraw/zinc/73/63/77/781736377.db2.gz IIEDMGBHQQUYED-MRVPVSSYSA-N 1 1 316.312 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001183824046 781736446 /nfs/dbraw/zinc/73/64/46/781736446.db2.gz XBWACCQZBXOKHY-NXEZZACHSA-N 1 1 324.389 -1.547 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001183824049 781736625 /nfs/dbraw/zinc/73/66/25/781736625.db2.gz XBWACCQZBXOKHY-VHSXEESVSA-N 1 1 324.389 -1.547 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CN1CCCNC1=O ZINC001273483333 781737593 /nfs/dbraw/zinc/73/75/93/781737593.db2.gz IPTPHVPTYZQENE-UHFFFAOYSA-N 1 1 324.389 -1.437 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184131719 781743145 /nfs/dbraw/zinc/74/31/45/781743145.db2.gz MEWKNXLOPUJMQM-ZZVYKPCYSA-N 1 1 310.402 -1.703 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184131717 781743412 /nfs/dbraw/zinc/74/34/12/781743412.db2.gz MEWKNXLOPUJMQM-VZZFWQQMSA-N 1 1 310.402 -1.703 20 0 DAADMO CC(=O)N1CCCC[C@@H]1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184131715 781743790 /nfs/dbraw/zinc/74/37/90/781743790.db2.gz MEWKNXLOPUJMQM-SAXRGWBVSA-N 1 1 310.402 -1.703 20 0 DAADMO Cc1cc(N(C(N)=[NH2+])C(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)n[nH]1 ZINC001184111912 781743847 /nfs/dbraw/zinc/74/38/47/781743847.db2.gz YKHZCXIKBGOBCX-YUMQZZPRSA-N 1 1 321.341 -1.272 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001184618894 781749158 /nfs/dbraw/zinc/74/91/58/781749158.db2.gz JIUQHXHUBNBEQA-MRVPVSSYSA-N 1 1 318.359 -2.186 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001184618975 781749896 /nfs/dbraw/zinc/74/98/96/781749896.db2.gz KNLJPRIHYSKKEM-SNVBAGLBSA-N 1 1 317.371 -1.581 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184784397 781750875 /nfs/dbraw/zinc/75/08/75/781750875.db2.gz DVFTWTHXZDVNJT-SECBINFHSA-N 1 1 316.387 -1.534 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCOc3ccccc3O2)[C@@H]2NCN[C@@H]21 ZINC001184724883 781751074 /nfs/dbraw/zinc/75/10/74/781751074.db2.gz MACDEWJLOIHWKR-DGAVXFQQSA-N 1 1 319.365 -1.264 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001184784107 781751379 /nfs/dbraw/zinc/75/13/79/781751379.db2.gz ATMPNEBRTBLHLE-HTQZYQBOSA-N 1 1 309.330 -1.499 20 0 DAADMO C[C@@H]1C[C@@H]1c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cn1 ZINC001185162808 781755623 /nfs/dbraw/zinc/75/56/23/781755623.db2.gz BHAMYJRQYDSZMH-RZLJONMWSA-N 1 1 303.370 -1.267 20 0 DAADMO C[C@@H]1C[C@@H]1c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cn1 ZINC001185162805 781755630 /nfs/dbraw/zinc/75/56/30/781755630.db2.gz BHAMYJRQYDSZMH-NTZKMGDGSA-N 1 1 303.370 -1.267 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185266838 781757160 /nfs/dbraw/zinc/75/71/60/781757160.db2.gz HNMCBFBMOAOSMY-OLZOCXBDSA-N 1 1 323.397 -1.134 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001185266923 781757446 /nfs/dbraw/zinc/75/74/46/781757446.db2.gz JPUJWEBNRQNCCB-CTAKWSDESA-N 1 1 319.358 -3.852 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001185257997 781757572 /nfs/dbraw/zinc/75/75/72/781757572.db2.gz OTQIQWLYFNFMBY-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185246164 781757614 /nfs/dbraw/zinc/75/76/14/781757614.db2.gz TVPYOGJUIWVQBM-ZOWXZIJZSA-N 1 1 311.382 -1.120 20 0 DAADMO Cc1nnc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)s1 ZINC001185334682 781760852 /nfs/dbraw/zinc/76/08/52/781760852.db2.gz TYRAABGEKBTVMY-SSDOTTSWSA-N 1 1 312.355 -1.539 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(C)c1 ZINC001185772440 781765151 /nfs/dbraw/zinc/76/51/51/781765151.db2.gz ZEKXURATKAXISZ-FRRDWIJNSA-N 1 1 319.365 -1.086 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(C)c1 ZINC001185772442 781765258 /nfs/dbraw/zinc/76/52/58/781765258.db2.gz ZEKXURATKAXISZ-RWMBFGLXSA-N 1 1 319.365 -1.086 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1)C(=O)NC(N)=O ZINC001185749117 781765282 /nfs/dbraw/zinc/76/52/82/781765282.db2.gz AUTLDVOYSWMCGQ-PSASIEDQSA-N 1 1 323.357 -1.489 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1)C(=O)NC(N)=O ZINC001185749117 781765290 /nfs/dbraw/zinc/76/52/90/781765290.db2.gz AUTLDVOYSWMCGQ-PSASIEDQSA-N 1 1 323.357 -1.489 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001186038313 781770156 /nfs/dbraw/zinc/77/01/56/781770156.db2.gz OYVNCKLVCFFVHG-LLVKDONJSA-N 1 1 322.369 -1.677 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186038313 781770161 /nfs/dbraw/zinc/77/01/61/781770161.db2.gz OYVNCKLVCFFVHG-LLVKDONJSA-N 1 1 322.369 -1.677 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001186038877 781770171 /nfs/dbraw/zinc/77/01/71/781770171.db2.gz SLRWUWSJUPYDFR-SWLSCSKDSA-N 1 1 324.381 -1.998 20 0 DAADMO NC(=O)COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001186070933 781770663 /nfs/dbraw/zinc/77/06/63/781770663.db2.gz UMLNTAYZVJINMN-AGIUHOORSA-N 1 1 320.353 -2.317 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186039753 781770766 /nfs/dbraw/zinc/77/07/66/781770766.db2.gz ZVQYTNUYKMXECG-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186039753 781770768 /nfs/dbraw/zinc/77/07/68/781770768.db2.gz ZVQYTNUYKMXECG-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186041067 781772896 /nfs/dbraw/zinc/77/28/96/781772896.db2.gz JUJCNZPFPZORJS-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)NCCOCCN1C(=O)C=CC1=O ZINC001186056368 781773227 /nfs/dbraw/zinc/77/32/27/781773227.db2.gz XZTWIXOVBUYUPD-NSHDSACASA-N 1 1 311.338 -1.889 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)NCCOCCN1C(=O)C=CC1=O ZINC001186056368 781773230 /nfs/dbraw/zinc/77/32/30/781773230.db2.gz XZTWIXOVBUYUPD-NSHDSACASA-N 1 1 311.338 -1.889 20 0 DAADMO CCS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186045484 781773319 /nfs/dbraw/zinc/77/33/19/781773319.db2.gz UEYBTEUOYKJBSS-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(=O)N(C3CC3)C(=O)C2)C1 ZINC001186100909 781773409 /nfs/dbraw/zinc/77/34/09/781773409.db2.gz MPHUINPIIMFNET-JTQLQIEISA-N 1 1 323.349 -1.159 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(=O)N(C3CC3)C(=O)C2)C1 ZINC001186100909 781773417 /nfs/dbraw/zinc/77/34/17/781773417.db2.gz MPHUINPIIMFNET-JTQLQIEISA-N 1 1 323.349 -1.159 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001186045733 781773435 /nfs/dbraw/zinc/77/34/35/781773435.db2.gz WMURCXUYEMFJRW-ZDUSSCGKSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001186045733 781773442 /nfs/dbraw/zinc/77/34/42/781773442.db2.gz WMURCXUYEMFJRW-ZDUSSCGKSA-N 1 1 311.382 -1.097 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](O)[C@H](CO)C2)C1 ZINC001186101045 781773531 /nfs/dbraw/zinc/77/35/31/781773531.db2.gz NZHBXCAMRBJLHU-SDDRHHMPSA-N 1 1 300.355 -1.317 20 0 DAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CC(CO)(CO)C2)C1 ZINC001186115727 781775131 /nfs/dbraw/zinc/77/51/31/781775131.db2.gz KLMWNWPRBZNATH-JTQLQIEISA-N 1 1 300.355 -1.269 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC(CO)(CO)C2)C1 ZINC001186115727 781775135 /nfs/dbraw/zinc/77/51/35/781775135.db2.gz KLMWNWPRBZNATH-JTQLQIEISA-N 1 1 300.355 -1.269 20 0 DAADMO CC(=O)Nc1cc(F)ccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001186446511 781778011 /nfs/dbraw/zinc/77/80/11/781778011.db2.gz FYRGLOCVCFUMNL-AGIUHOORSA-N 1 1 322.344 -1.083 20 0 DAADMO CC(=O)Nc1cc(F)ccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001186446515 781778209 /nfs/dbraw/zinc/77/82/09/781778209.db2.gz FYRGLOCVCFUMNL-AVGNSLFASA-N 1 1 322.344 -1.083 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CCNC(N)=O)CC2)n1 ZINC001203637169 781778460 /nfs/dbraw/zinc/77/84/60/781778460.db2.gz FWKIWUAGMMDJHY-UHFFFAOYSA-N 1 1 310.362 -1.651 20 0 DAADMO CC(=O)Nc1cc(F)ccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001186446519 781779061 /nfs/dbraw/zinc/77/90/61/781779061.db2.gz FYRGLOCVCFUMNL-RWMBFGLXSA-N 1 1 322.344 -1.083 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 ZINC001110381365 781779368 /nfs/dbraw/zinc/77/93/68/781779368.db2.gz FDKCWJAMZJNVKM-MLGHIDQZSA-N 1 1 311.382 -1.006 20 0 DAADMO CCOC(=O)C12CC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)(C1)C2 ZINC001186568513 781780058 /nfs/dbraw/zinc/78/00/58/781780058.db2.gz YEAYSZUIZWUFLF-HOOKXIFASA-N 1 1 309.370 -1.761 20 0 DAADMO CCOC(=O)C12CC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)(C1)C2 ZINC001186568514 781780606 /nfs/dbraw/zinc/78/06/06/781780606.db2.gz YEAYSZUIZWUFLF-IPHCSCHLSA-N 1 1 309.370 -1.761 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001186595572 781783184 /nfs/dbraw/zinc/78/31/84/781783184.db2.gz FFJHVNUFMXXEHJ-TUAOUCFPSA-N 1 1 312.370 -2.380 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186697871 781788329 /nfs/dbraw/zinc/78/83/29/781788329.db2.gz RJBVNIUARZUQGC-QJPTWQEYSA-N 1 1 322.365 -1.540 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001186802698 781789195 /nfs/dbraw/zinc/78/91/95/781789195.db2.gz CDNAIVHGUFCJGB-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778990 781789371 /nfs/dbraw/zinc/78/93/71/781789371.db2.gz QZCPBXSHEQDWQR-DTWKUNHWSA-N 1 1 322.329 -2.599 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778990 781789375 /nfs/dbraw/zinc/78/93/75/781789375.db2.gz QZCPBXSHEQDWQR-DTWKUNHWSA-N 1 1 322.329 -2.599 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001186802468 781789516 /nfs/dbraw/zinc/78/95/16/781789516.db2.gz ALBLOGNBVFYQRA-WDEREUQCSA-N 1 1 300.359 -1.804 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151583853 781789536 /nfs/dbraw/zinc/78/95/36/781789536.db2.gz NZXOXNYVSLGYET-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CNC(C)=O ZINC001151583853 781789542 /nfs/dbraw/zinc/78/95/42/781789542.db2.gz NZXOXNYVSLGYET-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186802922 781790320 /nfs/dbraw/zinc/79/03/20/781790320.db2.gz FILIILNTYLOSPA-HBNTYKKESA-N 1 1 300.359 -1.805 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001186841623 781790356 /nfs/dbraw/zinc/79/03/56/781790356.db2.gz AOVWTXGZZVQJFE-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186813370 781791136 /nfs/dbraw/zinc/79/11/36/781791136.db2.gz YGQGSRHSOPXHON-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186818843 781791289 /nfs/dbraw/zinc/79/12/89/781791289.db2.gz IOLFHVFJNPZAJY-CMPLNLGQSA-N 1 1 321.385 -1.001 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186818843 781791294 /nfs/dbraw/zinc/79/12/94/781791294.db2.gz IOLFHVFJNPZAJY-CMPLNLGQSA-N 1 1 321.385 -1.001 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001186813361 781791717 /nfs/dbraw/zinc/79/17/17/781791717.db2.gz YAWXOONDWBBGHA-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO NC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001186813361 781791723 /nfs/dbraw/zinc/79/17/23/781791723.db2.gz YAWXOONDWBBGHA-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186813368 781791975 /nfs/dbraw/zinc/79/19/75/781791975.db2.gz YGQGSRHSOPXHON-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187016197 781794180 /nfs/dbraw/zinc/79/41/80/781794180.db2.gz DVFWWVSXVODPTF-ZMLRMANQSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187016197 781794185 /nfs/dbraw/zinc/79/41/85/781794185.db2.gz DVFWWVSXVODPTF-ZMLRMANQSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001186967799 781794488 /nfs/dbraw/zinc/79/44/88/781794488.db2.gz BUVHAZWVDCNDTR-GFCCVEGCSA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001187061352 781796321 /nfs/dbraw/zinc/79/63/21/781796321.db2.gz OUBZGQVRONWGJH-VHSXEESVSA-N 1 1 306.370 -1.154 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001187061352 781796325 /nfs/dbraw/zinc/79/63/25/781796325.db2.gz OUBZGQVRONWGJH-VHSXEESVSA-N 1 1 306.370 -1.154 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187255089 781796938 /nfs/dbraw/zinc/79/69/38/781796938.db2.gz ZALZECJLROOFJY-YNEHKIRRSA-N 1 1 311.382 -1.193 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001187690990 781804046 /nfs/dbraw/zinc/80/40/46/781804046.db2.gz QLYHCEUUZLLNTF-SDDRHHMPSA-N 1 1 321.385 -1.132 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001187682675 781804687 /nfs/dbraw/zinc/80/46/87/781804687.db2.gz AGOCVZGYNPIWID-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001187682675 781804704 /nfs/dbraw/zinc/80/47/04/781804704.db2.gz AGOCVZGYNPIWID-SDDRHHMPSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001187683494 781805080 /nfs/dbraw/zinc/80/50/80/781805080.db2.gz RLTGSLNJKMQXHN-GARJFASQSA-N 1 1 311.386 -1.336 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001187683494 781805094 /nfs/dbraw/zinc/80/50/94/781805094.db2.gz RLTGSLNJKMQXHN-GARJFASQSA-N 1 1 311.386 -1.336 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187690907 781805293 /nfs/dbraw/zinc/80/52/93/781805293.db2.gz PGHJRZHORDMADT-FIQHERPVSA-N 1 1 314.386 -1.417 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187714385 781807441 /nfs/dbraw/zinc/80/74/41/781807441.db2.gz PHAYZPCWIPJOPL-WCQYABFASA-N 1 1 309.370 -1.030 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)CN1CCNC(=O)C1 ZINC001273546340 781807509 /nfs/dbraw/zinc/80/75/09/781807509.db2.gz MCZXKLGCVHBAHX-UHFFFAOYSA-N 1 1 324.389 -2.420 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187929627 781811943 /nfs/dbraw/zinc/81/19/43/781811943.db2.gz HYANXFSBNNXNCX-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187929627 781811957 /nfs/dbraw/zinc/81/19/57/781811957.db2.gz HYANXFSBNNXNCX-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930310 781812803 /nfs/dbraw/zinc/81/28/03/781812803.db2.gz QFBIWEUWXFPVCX-QWHCGFSZSA-N 1 1 324.385 -1.131 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000271364765 781813052 /nfs/dbraw/zinc/81/30/52/781813052.db2.gz AKFNLDKHKPVVNO-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188102873 781813911 /nfs/dbraw/zinc/81/39/11/781813911.db2.gz RYBWHPVPFYAGAE-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188102642 781814475 /nfs/dbraw/zinc/81/44/75/781814475.db2.gz OAORWFUYUTXQGW-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C(=O)C1CC1 ZINC001188107126 781814688 /nfs/dbraw/zinc/81/46/88/781814688.db2.gz HPPSAHIYKNRJPB-NWDGAFQWSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C(=O)C1CC1 ZINC001188107126 781814699 /nfs/dbraw/zinc/81/46/99/781814699.db2.gz HPPSAHIYKNRJPB-NWDGAFQWSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001273554249 781814774 /nfs/dbraw/zinc/81/47/74/781814774.db2.gz QZFVDLHKXAZRGY-UHFFFAOYSA-N 1 1 322.431 -1.467 20 0 DAADMO CN(CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21)S(C)(=O)=O ZINC001188107507 781814977 /nfs/dbraw/zinc/81/49/77/781814977.db2.gz SAGIXXUPASDRNP-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NC)[C@@H]2C1 ZINC001188151508 781815726 /nfs/dbraw/zinc/81/57/26/781815726.db2.gz GZSZARORHDSIIJ-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001188151936 781815800 /nfs/dbraw/zinc/81/58/00/781815800.db2.gz MLJDVQFPJVFGNK-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001188151936 781815810 /nfs/dbraw/zinc/81/58/10/781815810.db2.gz MLJDVQFPJVFGNK-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001188151898 781816066 /nfs/dbraw/zinc/81/60/66/781816066.db2.gz LUCWJVDDJXEPOM-GARJFASQSA-N 1 1 309.370 -1.663 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nc(C(F)(F)F)c[nH]2)[C@H]2NCN[C@H]21 ZINC001188296625 781817837 /nfs/dbraw/zinc/81/78/37/781817837.db2.gz RWRFGQSVRWIEJT-SHYZEUOFSA-N 1 1 305.264 -1.439 20 0 DAADMO COCCOCCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001188324877 781817980 /nfs/dbraw/zinc/81/79/80/781817980.db2.gz ACHCUAISBYZITM-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188387606 781818508 /nfs/dbraw/zinc/81/85/08/781818508.db2.gz IJPDOVRIWLQJCG-NWDGAFQWSA-N 1 1 312.370 -2.236 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001188693367 781821399 /nfs/dbraw/zinc/82/13/99/781821399.db2.gz MCBCHNBQOGVLBA-KGLIPLIRSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001188685403 781822644 /nfs/dbraw/zinc/82/26/44/781822644.db2.gz NNDKPLCZGNTBAW-WDEREUQCSA-N 1 1 310.354 -1.540 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC001115112988 781824054 /nfs/dbraw/zinc/82/40/54/781824054.db2.gz CIEZZBUTGPWORE-YABSGUDNSA-N 1 1 324.381 -1.037 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001188794150 781824146 /nfs/dbraw/zinc/82/41/46/781824146.db2.gz OOBLWTGRJXEWTM-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001188794150 781824153 /nfs/dbraw/zinc/82/41/53/781824153.db2.gz OOBLWTGRJXEWTM-SDDRHHMPSA-N 1 1 308.382 -1.209 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755984 781825407 /nfs/dbraw/zinc/82/54/07/781825407.db2.gz DUMAGDFFQRDPKY-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755984 781825420 /nfs/dbraw/zinc/82/54/20/781825420.db2.gz DUMAGDFFQRDPKY-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001188759520 781825615 /nfs/dbraw/zinc/82/56/15/781825615.db2.gz AFBARXBEYDBTBC-IVZWLZJFSA-N 1 1 323.353 -2.150 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001188759520 781825631 /nfs/dbraw/zinc/82/56/31/781825631.db2.gz AFBARXBEYDBTBC-IVZWLZJFSA-N 1 1 323.353 -2.150 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755981 781825658 /nfs/dbraw/zinc/82/56/58/781825658.db2.gz DUMAGDFFQRDPKY-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188755981 781825667 /nfs/dbraw/zinc/82/56/67/781825667.db2.gz DUMAGDFFQRDPKY-PSASIEDQSA-N 1 1 313.358 -1.761 20 0 DAADMO COCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759755 781826198 /nfs/dbraw/zinc/82/61/98/781826198.db2.gz HIBVTMCDEZBEGY-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785039 781827086 /nfs/dbraw/zinc/82/70/86/781827086.db2.gz UIKSGRZNBPJPRR-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188785039 781827096 /nfs/dbraw/zinc/82/70/96/781827096.db2.gz UIKSGRZNBPJPRR-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001188811414 781827492 /nfs/dbraw/zinc/82/74/92/781827492.db2.gz CHRGWOOIGDMZDU-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001188811414 781827504 /nfs/dbraw/zinc/82/75/04/781827504.db2.gz CHRGWOOIGDMZDU-LLVKDONJSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784787 781827643 /nfs/dbraw/zinc/82/76/43/781827643.db2.gz QGHIKXBHOKQLAB-WDEREUQCSA-N 1 1 309.374 -1.318 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829166 781827835 /nfs/dbraw/zinc/82/78/35/781827835.db2.gz SDWLHRVZYRCQJS-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188829166 781827845 /nfs/dbraw/zinc/82/78/45/781827845.db2.gz SDWLHRVZYRCQJS-MRVPVSSYSA-N 1 1 314.346 -2.357 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812116 781828182 /nfs/dbraw/zinc/82/81/82/781828182.db2.gz IZLSSDQWXYIUHG-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812116 781828196 /nfs/dbraw/zinc/82/81/96/781828196.db2.gz IZLSSDQWXYIUHG-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188777672 781828684 /nfs/dbraw/zinc/82/86/84/781828684.db2.gz ZLTLBNJNPQBNMB-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188777672 781828698 /nfs/dbraw/zinc/82/86/98/781828698.db2.gz ZLTLBNJNPQBNMB-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784769 781828718 /nfs/dbraw/zinc/82/87/18/781828718.db2.gz QELGPUWGRFETTK-QMMMGPOBSA-N 1 1 310.318 -2.599 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784769 781828730 /nfs/dbraw/zinc/82/87/30/781828730.db2.gz QELGPUWGRFETTK-QMMMGPOBSA-N 1 1 310.318 -2.599 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188861398 781829468 /nfs/dbraw/zinc/82/94/68/781829468.db2.gz CRBNLDOKQQNOQI-GHMZBOCLSA-N 1 1 322.369 -1.001 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828042 781829767 /nfs/dbraw/zinc/82/97/67/781829767.db2.gz GBBUJWIRMBBOBL-JTQLQIEISA-N 1 1 312.374 -1.787 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188871365 781829796 /nfs/dbraw/zinc/82/97/96/781829796.db2.gz ZMTBPJJLSLJWAK-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188871365 781829805 /nfs/dbraw/zinc/82/98/05/781829805.db2.gz ZMTBPJJLSLJWAK-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188946977 781829998 /nfs/dbraw/zinc/82/99/98/781829998.db2.gz CEHOYJSGKSARPJ-NXEZZACHSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188946977 781830009 /nfs/dbraw/zinc/83/00/09/781830009.db2.gz CEHOYJSGKSARPJ-NXEZZACHSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188864313 781830252 /nfs/dbraw/zinc/83/02/52/781830252.db2.gz ZAQJSCGSFSKWDS-JTQLQIEISA-N 1 1 308.342 -1.389 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188864313 781830261 /nfs/dbraw/zinc/83/02/61/781830261.db2.gz ZAQJSCGSFSKWDS-JTQLQIEISA-N 1 1 308.342 -1.389 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188813888 781830493 /nfs/dbraw/zinc/83/04/93/781830493.db2.gz QYHZIGYMKRSUGP-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188813882 781830640 /nfs/dbraw/zinc/83/06/40/781830640.db2.gz QYHZIGYMKRSUGP-GHMZBOCLSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@@H+](CCN1CCCC1=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188814994 781830961 /nfs/dbraw/zinc/83/09/61/781830961.db2.gz YLVJCDOREWEGNV-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001188844898 781831203 /nfs/dbraw/zinc/83/12/03/781831203.db2.gz DACMNOIGFBZRTA-ZTVLKNOQSA-N 1 1 322.365 -1.394 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC001188844898 781831213 /nfs/dbraw/zinc/83/12/13/781831213.db2.gz DACMNOIGFBZRTA-ZTVLKNOQSA-N 1 1 322.365 -1.394 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813852 781831267 /nfs/dbraw/zinc/83/12/67/781831267.db2.gz QKTFZVAXKOIFFU-HTQZYQBOSA-N 1 1 314.346 -2.229 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813574 781831472 /nfs/dbraw/zinc/83/14/72/781831472.db2.gz OWTVTBPRZHHYQH-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985516 781832342 /nfs/dbraw/zinc/83/23/42/781832342.db2.gz ITFZTTYMTHXRRI-QJPTWQEYSA-N 1 1 315.370 -1.972 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970801 781832595 /nfs/dbraw/zinc/83/25/95/781832595.db2.gz LSWXHGUUOQHHAY-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970801 781832605 /nfs/dbraw/zinc/83/26/05/781832605.db2.gz LSWXHGUUOQHHAY-QJPTWQEYSA-N 1 1 323.397 -1.321 20 0 DAADMO Cn1nc(C(C)(C)C)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001189044009 781832688 /nfs/dbraw/zinc/83/26/88/781832688.db2.gz TZAQAVRFXUEDEC-GRYCIOLGSA-N 1 1 307.402 -1.150 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001188992074 781832884 /nfs/dbraw/zinc/83/28/84/781832884.db2.gz OGVKYZBCJQZQAX-GARJFASQSA-N 1 1 317.411 -1.315 20 0 DAADMO C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001188992074 781832896 /nfs/dbraw/zinc/83/28/96/781832896.db2.gz OGVKYZBCJQZQAX-GARJFASQSA-N 1 1 317.411 -1.315 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970311 781833068 /nfs/dbraw/zinc/83/30/68/781833068.db2.gz GKCJZVWXLBOLEK-DJLDLDEBSA-N 1 1 324.341 -2.605 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001188970311 781833073 /nfs/dbraw/zinc/83/30/73/781833073.db2.gz GKCJZVWXLBOLEK-DJLDLDEBSA-N 1 1 324.341 -2.605 20 0 DAADMO Cn1nc(C(C)(C)C)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001189044011 781834284 /nfs/dbraw/zinc/83/42/84/781834284.db2.gz TZAQAVRFXUEDEC-SRVKXCTJSA-N 1 1 307.402 -1.150 20 0 DAADMO C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001188992075 781834496 /nfs/dbraw/zinc/83/44/96/781834496.db2.gz OGVKYZBCJQZQAX-OUAUKWLOSA-N 1 1 317.411 -1.315 20 0 DAADMO C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)CS(C)(=O)=O ZINC001188992075 781834506 /nfs/dbraw/zinc/83/45/06/781834506.db2.gz OGVKYZBCJQZQAX-OUAUKWLOSA-N 1 1 317.411 -1.315 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001189132857 781835187 /nfs/dbraw/zinc/83/51/87/781835187.db2.gz MRDIAGKJHSDBEH-GHMZBOCLSA-N 1 1 303.359 -1.118 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001189135034 781836283 /nfs/dbraw/zinc/83/62/83/781836283.db2.gz JREAYHFERXGPBF-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001189135034 781836294 /nfs/dbraw/zinc/83/62/94/781836294.db2.gz JREAYHFERXGPBF-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc(OC)n1 ZINC001189100463 781836361 /nfs/dbraw/zinc/83/63/61/781836361.db2.gz VVVWFVUKWFTOHB-KXUCPTDWSA-N 1 1 309.330 -2.374 20 0 DAADMO COc1cc(OC)nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1 ZINC001189232583 781837224 /nfs/dbraw/zinc/83/72/24/781837224.db2.gz PKPVPTNHRJZVOV-ATZCPNFKSA-N 1 1 309.330 -2.374 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)nc(F)c2F)[C@@H]2NCN[C@H]21 ZINC001189183032 781837427 /nfs/dbraw/zinc/83/74/27/781837427.db2.gz NEJLMDQMMHQKJX-SFGNSQDASA-N 1 1 302.260 -1.368 20 0 DAADMO COc1cc(OC)nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001189232587 781839149 /nfs/dbraw/zinc/83/91/49/781839149.db2.gz PKPVPTNHRJZVOV-WCABBAIRSA-N 1 1 309.330 -2.374 20 0 DAADMO Cn1c(=O)cc(C(=O)N2CC([N@@H+](C)[C@H]3CCOC3)C2)n(C)c1=O ZINC001189428099 781840137 /nfs/dbraw/zinc/84/01/37/781840137.db2.gz GRVKQROSZWVJBY-JTQLQIEISA-N 1 1 322.365 -1.371 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189409189 781840219 /nfs/dbraw/zinc/84/02/19/781840219.db2.gz HZZOWCBNTKDZFL-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189409189 781840224 /nfs/dbraw/zinc/84/02/24/781840224.db2.gz HZZOWCBNTKDZFL-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001189438012 781841207 /nfs/dbraw/zinc/84/12/07/781841207.db2.gz LNOGOBUSACORMN-QMMMGPOBSA-N 1 1 321.341 -1.600 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001189438012 781841212 /nfs/dbraw/zinc/84/12/12/781841212.db2.gz LNOGOBUSACORMN-QMMMGPOBSA-N 1 1 321.341 -1.600 20 0 DAADMO Cn1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc(=O)n(C)c1=O ZINC001189441803 781841970 /nfs/dbraw/zinc/84/19/70/781841970.db2.gz FURLICJTAGMMOI-GUBZILKMSA-N 1 1 309.330 -3.783 20 0 DAADMO Cn1c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc(=O)n(C)c1=O ZINC001189441820 781842190 /nfs/dbraw/zinc/84/21/90/781842190.db2.gz FURLICJTAGMMOI-UTLUCORTSA-N 1 1 309.330 -3.783 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189478463 781842385 /nfs/dbraw/zinc/84/23/85/781842385.db2.gz AKESJMMVVYNDGL-RKDXNWHRSA-N 1 1 313.358 -1.761 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479580 781843602 /nfs/dbraw/zinc/84/36/02/781843602.db2.gz HZSNEEHWDCXOBK-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479580 781843617 /nfs/dbraw/zinc/84/36/17/781843617.db2.gz HZSNEEHWDCXOBK-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189516291 781843833 /nfs/dbraw/zinc/84/38/33/781843833.db2.gz HBENWCAPNWFADR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001189516291 781843838 /nfs/dbraw/zinc/84/38/38/781843838.db2.gz HBENWCAPNWFADR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189454567 781844020 /nfs/dbraw/zinc/84/40/20/781844020.db2.gz WILDVMPPONUIPP-HRDYMLBCSA-N 1 1 321.341 -1.466 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189454567 781844023 /nfs/dbraw/zinc/84/40/23/781844023.db2.gz WILDVMPPONUIPP-HRDYMLBCSA-N 1 1 321.341 -1.466 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001189522718 781844144 /nfs/dbraw/zinc/84/41/44/781844144.db2.gz JTOSLBOUAUQZDF-YNEHKIRRSA-N 1 1 324.385 -1.397 20 0 DAADMO CCOCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489455 781844434 /nfs/dbraw/zinc/84/44/34/781844434.db2.gz JDJYZSVIZGMWKG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489455 781844442 /nfs/dbraw/zinc/84/44/42/781844442.db2.gz JDJYZSVIZGMWKG-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695318 781845782 /nfs/dbraw/zinc/84/57/82/781845782.db2.gz HSOBGXWWVAHLOJ-AWEZNQCLSA-N 1 1 315.414 -1.140 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189621093 781846347 /nfs/dbraw/zinc/84/63/47/781846347.db2.gz DRQYLDUSYLTUTF-NWDGAFQWSA-N 1 1 309.370 -1.143 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480688 781847425 /nfs/dbraw/zinc/84/74/25/781847425.db2.gz NINAITIOYCISJR-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189480688 781847433 /nfs/dbraw/zinc/84/74/33/781847433.db2.gz NINAITIOYCISJR-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189695769 781847606 /nfs/dbraw/zinc/84/76/06/781847606.db2.gz PXNDDQMLQOPOJO-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001189481228 781847873 /nfs/dbraw/zinc/84/78/73/781847873.db2.gz RQBMHIIUKYOEHX-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001189481228 781847882 /nfs/dbraw/zinc/84/78/82/781847882.db2.gz RQBMHIIUKYOEHX-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001189743054 781848662 /nfs/dbraw/zinc/84/86/62/781848662.db2.gz ZYLAUQAZZQRACQ-SDDRHHMPSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001189743054 781848672 /nfs/dbraw/zinc/84/86/72/781848672.db2.gz ZYLAUQAZZQRACQ-SDDRHHMPSA-N 1 1 309.370 -1.113 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001189743054 781848679 /nfs/dbraw/zinc/84/86/79/781848679.db2.gz ZYLAUQAZZQRACQ-SDDRHHMPSA-N 1 1 309.370 -1.113 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189717312 781849133 /nfs/dbraw/zinc/84/91/33/781849133.db2.gz PVPTTWFDENBDIM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189717312 781849140 /nfs/dbraw/zinc/84/91/40/781849140.db2.gz PVPTTWFDENBDIM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189736153 781849345 /nfs/dbraw/zinc/84/93/45/781849345.db2.gz UBYAAVXCYWATRD-MNOVXSKESA-N 1 1 313.358 -1.476 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189707612 781849365 /nfs/dbraw/zinc/84/93/65/781849365.db2.gz YKGANLXQZAJXMP-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001189707612 781849374 /nfs/dbraw/zinc/84/93/74/781849374.db2.gz YKGANLXQZAJXMP-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769164 781850404 /nfs/dbraw/zinc/85/04/04/781850404.db2.gz HJRMWMKFHFEPAU-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001189769164 781850410 /nfs/dbraw/zinc/85/04/10/781850410.db2.gz HJRMWMKFHFEPAU-JTQLQIEISA-N 1 1 310.358 -1.348 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189778456 781852128 /nfs/dbraw/zinc/85/21/28/781852128.db2.gz LEIADKQFZHAYCP-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001189819734 781852459 /nfs/dbraw/zinc/85/24/59/781852459.db2.gz XORNVXIEQSHDPH-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001189819734 781852462 /nfs/dbraw/zinc/85/24/62/781852462.db2.gz XORNVXIEQSHDPH-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001189874550 781854347 /nfs/dbraw/zinc/85/43/47/781854347.db2.gz MUGOURNMOWDLSM-LLVKDONJSA-N 1 1 320.353 -1.253 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001189874550 781854356 /nfs/dbraw/zinc/85/43/56/781854356.db2.gz MUGOURNMOWDLSM-LLVKDONJSA-N 1 1 320.353 -1.253 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001189857486 781855565 /nfs/dbraw/zinc/85/55/65/781855565.db2.gz NBVFOTWHLBRCMK-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189934819 781855976 /nfs/dbraw/zinc/85/59/76/781855976.db2.gz QZMJWKVABRQTFP-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189934819 781855986 /nfs/dbraw/zinc/85/59/86/781855986.db2.gz QZMJWKVABRQTFP-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189971625 781856252 /nfs/dbraw/zinc/85/62/52/781856252.db2.gz CMPKKSVFVWMYMB-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189971625 781856261 /nfs/dbraw/zinc/85/62/61/781856261.db2.gz CMPKKSVFVWMYMB-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189933290 781856313 /nfs/dbraw/zinc/85/63/13/781856313.db2.gz KFYBKHHLGGVRLH-JGVFFNPUSA-N 1 1 313.314 -2.178 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001189933290 781856322 /nfs/dbraw/zinc/85/63/22/781856322.db2.gz KFYBKHHLGGVRLH-JGVFFNPUSA-N 1 1 313.314 -2.178 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001189984925 781858394 /nfs/dbraw/zinc/85/83/94/781858394.db2.gz XWTMXZXEJACDOS-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001189984925 781858403 /nfs/dbraw/zinc/85/84/03/781858403.db2.gz XWTMXZXEJACDOS-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N(C)C)C1 ZINC001189984921 781858711 /nfs/dbraw/zinc/85/87/11/781858711.db2.gz XWTMXZXEJACDOS-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC001189984921 781858718 /nfs/dbraw/zinc/85/87/18/781858718.db2.gz XWTMXZXEJACDOS-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001190100384 781858778 /nfs/dbraw/zinc/85/87/78/781858778.db2.gz KNWXXHBMNFKXAZ-CMPLNLGQSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001190100384 781858785 /nfs/dbraw/zinc/85/87/85/781858785.db2.gz KNWXXHBMNFKXAZ-CMPLNLGQSA-N 1 1 323.397 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001190005048 781859257 /nfs/dbraw/zinc/85/92/57/781859257.db2.gz WAWWZMLRARDNTA-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001189983365 781859489 /nfs/dbraw/zinc/85/94/89/781859489.db2.gz JWBIYMIGGGHHLT-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189961719 781859857 /nfs/dbraw/zinc/85/98/57/781859857.db2.gz BDCDXVXUIIIICR-RKDXNWHRSA-N 1 1 323.357 -1.455 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190136535 781861309 /nfs/dbraw/zinc/86/13/09/781861309.db2.gz KCKSIKPGXSRTGD-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190108727 781861440 /nfs/dbraw/zinc/86/14/40/781861440.db2.gz YYLPIXBTYIGOPW-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@@H+](CCNC(=O)C1CC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187732 781861486 /nfs/dbraw/zinc/86/14/86/781861486.db2.gz SPKAFHWASVXXLV-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190136539 781862306 /nfs/dbraw/zinc/86/23/06/781862306.db2.gz KCKSIKPGXSRTGD-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190136389 781862326 /nfs/dbraw/zinc/86/23/26/781862326.db2.gz IUFCLHGXEDMZCC-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190136389 781862334 /nfs/dbraw/zinc/86/23/34/781862334.db2.gz IUFCLHGXEDMZCC-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001190105770 781862695 /nfs/dbraw/zinc/86/26/95/781862695.db2.gz PWBTXIFGXOQTRE-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001190105770 781862697 /nfs/dbraw/zinc/86/26/97/781862697.db2.gz PWBTXIFGXOQTRE-LLVKDONJSA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187597 781863094 /nfs/dbraw/zinc/86/30/94/781863094.db2.gz POFVNWDDQRZNKW-BDAKNGLRSA-N 1 1 324.345 -2.211 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195335 781863906 /nfs/dbraw/zinc/86/39/06/781863906.db2.gz FMIMDHSTYNTCCF-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195335 781863913 /nfs/dbraw/zinc/86/39/13/781863913.db2.gz FMIMDHSTYNTCCF-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2nccn2)[C@H]2NCN[C@@H]21 ZINC001190372462 781864872 /nfs/dbraw/zinc/86/48/72/781864872.db2.gz ISKLXBYGAJOWRA-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1 ZINC001190323059 781864950 /nfs/dbraw/zinc/86/49/50/781864950.db2.gz WLGFBEVQPWXTEA-DCAQKATOSA-N 1 1 306.326 -1.999 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001190342087 781865247 /nfs/dbraw/zinc/86/52/47/781865247.db2.gz SAFTZCXCEWTLKS-NWDGAFQWSA-N 1 1 322.369 -2.081 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190288624 781865284 /nfs/dbraw/zinc/86/52/84/781865284.db2.gz AOUPHLLISRUNLT-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190288624 781865291 /nfs/dbraw/zinc/86/52/91/781865291.db2.gz AOUPHLLISRUNLT-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190336077 781865883 /nfs/dbraw/zinc/86/58/83/781865883.db2.gz FJJUOGLAYILBRI-GFCCVEGCSA-N 1 1 320.411 -1.427 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190336077 781865891 /nfs/dbraw/zinc/86/58/91/781865891.db2.gz FJJUOGLAYILBRI-GFCCVEGCSA-N 1 1 320.411 -1.427 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190288627 781866682 /nfs/dbraw/zinc/86/66/82/781866682.db2.gz AOUPHLLISRUNLT-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190288627 781866688 /nfs/dbraw/zinc/86/66/88/781866688.db2.gz AOUPHLLISRUNLT-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190328784 781866745 /nfs/dbraw/zinc/86/67/45/781866745.db2.gz KOUSRXCJDHJESP-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190328784 781866750 /nfs/dbraw/zinc/86/67/50/781866750.db2.gz KOUSRXCJDHJESP-QWRGUYRKSA-N 1 1 314.386 -1.584 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190462741 781867068 /nfs/dbraw/zinc/86/70/68/781867068.db2.gz LYAQLYUMEOJNLL-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001190452833 781867274 /nfs/dbraw/zinc/86/72/74/781867274.db2.gz IXRKRGPPSDELPN-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNC(=O)COC)C1 ZINC001190452833 781867281 /nfs/dbraw/zinc/86/72/81/781867281.db2.gz IXRKRGPPSDELPN-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190471970 781867655 /nfs/dbraw/zinc/86/76/55/781867655.db2.gz HBOJGTFWYNOFMG-VHSXEESVSA-N 1 1 320.415 -1.716 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190482786 781868011 /nfs/dbraw/zinc/86/80/11/781868011.db2.gz KPSUDVGFTFTCQN-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190482786 781868016 /nfs/dbraw/zinc/86/80/16/781868016.db2.gz KPSUDVGFTFTCQN-JTQLQIEISA-N 1 1 300.359 -1.891 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463873 781868271 /nfs/dbraw/zinc/86/82/71/781868271.db2.gz UNILDIONAWQNLI-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190463873 781868276 /nfs/dbraw/zinc/86/82/76/781868276.db2.gz UNILDIONAWQNLI-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462771 781868436 /nfs/dbraw/zinc/86/84/36/781868436.db2.gz MKYBCXCOJPTQTE-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190463259 781868590 /nfs/dbraw/zinc/86/85/90/781868590.db2.gz RFHQCOTZAFMLPZ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001190463262 781868660 /nfs/dbraw/zinc/86/86/60/781868660.db2.gz RFHQCOTZAFMLPZ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1O ZINC001190580921 781871269 /nfs/dbraw/zinc/87/12/69/781871269.db2.gz PCIPUZFMEINHDF-IACUBPJLSA-N 1 1 302.371 -1.276 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 ZINC001190627060 781872171 /nfs/dbraw/zinc/87/21/71/781872171.db2.gz PCXFETHMZXQTQP-GHMZBOCLSA-N 1 1 323.340 -1.044 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 ZINC001190627060 781872179 /nfs/dbraw/zinc/87/21/79/781872179.db2.gz PCXFETHMZXQTQP-GHMZBOCLSA-N 1 1 323.340 -1.044 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001190609797 781872911 /nfs/dbraw/zinc/87/29/11/781872911.db2.gz IOMJCYLSCKHRPR-JHJVBQTASA-N 1 1 312.370 -1.558 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190593162 781873526 /nfs/dbraw/zinc/87/35/26/781873526.db2.gz IKVZBFHHWNTXRC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001190593162 781873531 /nfs/dbraw/zinc/87/35/31/781873531.db2.gz IKVZBFHHWNTXRC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC001190699890 781875080 /nfs/dbraw/zinc/87/50/80/781875080.db2.gz AQEFAIAGTFFCSA-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC001190699890 781875088 /nfs/dbraw/zinc/87/50/88/781875088.db2.gz AQEFAIAGTFFCSA-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001190645638 781875157 /nfs/dbraw/zinc/87/51/57/781875157.db2.gz RIEMXMXUMNFMOH-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001190645638 781875163 /nfs/dbraw/zinc/87/51/63/781875163.db2.gz RIEMXMXUMNFMOH-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190717818 781876042 /nfs/dbraw/zinc/87/60/42/781876042.db2.gz OGLSQGCEJSZBKW-GRYCIOLGSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190717818 781876054 /nfs/dbraw/zinc/87/60/54/781876054.db2.gz OGLSQGCEJSZBKW-GRYCIOLGSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001190709733 781876848 /nfs/dbraw/zinc/87/68/48/781876848.db2.gz WGQMXUQQMGTABG-GRYCIOLGSA-N 1 1 312.370 -2.095 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1O ZINC001190709733 781876858 /nfs/dbraw/zinc/87/68/58/781876858.db2.gz WGQMXUQQMGTABG-GRYCIOLGSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001190712037 781877609 /nfs/dbraw/zinc/87/76/09/781877609.db2.gz BNYDUFVOHIDNMP-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001190712037 781877619 /nfs/dbraw/zinc/87/76/19/781877619.db2.gz BNYDUFVOHIDNMP-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190733039 781879715 /nfs/dbraw/zinc/87/97/15/781879715.db2.gz AVMGVAZHGCFDRD-NEPJUHHUSA-N 1 1 324.381 -1.066 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001190785867 781881605 /nfs/dbraw/zinc/88/16/05/781881605.db2.gz HRELSGMWAVFYKD-RAIGVLPGSA-N 1 1 309.370 -1.431 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001190785867 781881612 /nfs/dbraw/zinc/88/16/12/781881612.db2.gz HRELSGMWAVFYKD-RAIGVLPGSA-N 1 1 309.370 -1.431 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190894657 781884211 /nfs/dbraw/zinc/88/42/11/781884211.db2.gz IVPZCTWZZCWKFH-RAIGVLPGSA-N 1 1 317.386 -1.665 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190894657 781884218 /nfs/dbraw/zinc/88/42/18/781884218.db2.gz IVPZCTWZZCWKFH-RAIGVLPGSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001190895086 781884936 /nfs/dbraw/zinc/88/49/36/781884936.db2.gz PTJLHQFAFPFYON-JMJZKYOTSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001190895086 781884946 /nfs/dbraw/zinc/88/49/46/781884946.db2.gz PTJLHQFAFPFYON-JMJZKYOTSA-N 1 1 323.340 -1.046 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894549 781884987 /nfs/dbraw/zinc/88/49/87/781884987.db2.gz HHLLMCHDCSAAQZ-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190889384 781885546 /nfs/dbraw/zinc/88/55/46/781885546.db2.gz JCRPHJJXJNESCH-LLVKDONJSA-N 1 1 309.370 -1.045 20 0 DAADMO Cn1nccc1COCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190889384 781885554 /nfs/dbraw/zinc/88/55/54/781885554.db2.gz JCRPHJJXJNESCH-LLVKDONJSA-N 1 1 309.370 -1.045 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001190904079 781887372 /nfs/dbraw/zinc/88/73/72/781887372.db2.gz AKYCPHGUZJHXRU-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001190904079 781887380 /nfs/dbraw/zinc/88/73/80/781887380.db2.gz AKYCPHGUZJHXRU-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904636 781887570 /nfs/dbraw/zinc/88/75/70/781887570.db2.gz LJEIHIYRUJCKPT-IVZWLZJFSA-N 1 1 300.319 -3.158 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958084 781887764 /nfs/dbraw/zinc/88/77/64/781887764.db2.gz VPWDXFXDZUUFEV-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958084 781887771 /nfs/dbraw/zinc/88/77/71/781887771.db2.gz VPWDXFXDZUUFEV-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001190904716 781887837 /nfs/dbraw/zinc/88/78/37/781887837.db2.gz MGFQMYVZKHEBQY-UPJWGTAASA-N 1 1 324.385 -1.351 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190922247 781887864 /nfs/dbraw/zinc/88/78/64/781887864.db2.gz GLSSCMBYPCZVQY-IJLUTSLNSA-N 1 1 315.370 -2.223 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958083 781887976 /nfs/dbraw/zinc/88/79/76/781887976.db2.gz VPWDXFXDZUUFEV-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)S(C)(=O)=O ZINC001190958083 781887986 /nfs/dbraw/zinc/88/79/86/781887986.db2.gz VPWDXFXDZUUFEV-NEPJUHHUSA-N 1 1 322.427 -1.039 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC001190973342 781888466 /nfs/dbraw/zinc/88/84/66/781888466.db2.gz NJZGCGXKZKYDQQ-LLVKDONJSA-N 1 1 308.400 -1.427 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001190973342 781888473 /nfs/dbraw/zinc/88/84/73/781888473.db2.gz NJZGCGXKZKYDQQ-LLVKDONJSA-N 1 1 308.400 -1.427 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977517 781888533 /nfs/dbraw/zinc/88/85/33/781888533.db2.gz JUFOGFCFCQGARV-OPRDCNLKSA-N 1 1 315.374 -2.140 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977517 781888540 /nfs/dbraw/zinc/88/85/40/781888540.db2.gz JUFOGFCFCQGARV-OPRDCNLKSA-N 1 1 315.374 -2.140 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001190977823 781888846 /nfs/dbraw/zinc/88/88/46/781888846.db2.gz OANTUXGUUGKZIM-IJLUTSLNSA-N 1 1 314.386 -1.367 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cn1 ZINC001190968489 781889016 /nfs/dbraw/zinc/88/90/16/781889016.db2.gz GVJSYQXKYWWSSO-VXGBXAGGSA-N 1 1 324.385 -1.725 20 0 DAADMO CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001190977481 781889444 /nfs/dbraw/zinc/88/94/44/781889444.db2.gz IOHFDEMKFMKIPK-KIDURHIOSA-N 1 1 314.386 -1.369 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190969345 781889467 /nfs/dbraw/zinc/88/94/67/781889467.db2.gz OKLRHWWYJCJNMJ-NXEZZACHSA-N 1 1 304.347 -2.521 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190969345 781889474 /nfs/dbraw/zinc/88/94/74/781889474.db2.gz OKLRHWWYJCJNMJ-NXEZZACHSA-N 1 1 304.347 -2.521 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cn1 ZINC001190969809 781889834 /nfs/dbraw/zinc/88/98/34/781889834.db2.gz RUOPGYMPVWOERL-GHMZBOCLSA-N 1 1 310.358 -2.208 20 0 DAADMO CSCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190961114 781889981 /nfs/dbraw/zinc/88/99/81/781889981.db2.gz CUEOVKLPDJUENI-GHMZBOCLSA-N 1 1 316.427 -1.074 20 0 DAADMO CSCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190961114 781889990 /nfs/dbraw/zinc/88/99/90/781889990.db2.gz CUEOVKLPDJUENI-GHMZBOCLSA-N 1 1 316.427 -1.074 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001190983202 781891172 /nfs/dbraw/zinc/89/11/72/781891172.db2.gz IRPPXVGOBRSCAI-ZIAGYGMSSA-N 1 1 324.381 -1.058 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001190983202 781891181 /nfs/dbraw/zinc/89/11/81/781891181.db2.gz IRPPXVGOBRSCAI-ZIAGYGMSSA-N 1 1 324.381 -1.058 20 0 DAADMO C[N@H+](CCOCCO)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190982109 781891634 /nfs/dbraw/zinc/89/16/34/781891634.db2.gz VHEGBUFXCNRMET-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190982109 781891644 /nfs/dbraw/zinc/89/16/44/781891644.db2.gz VHEGBUFXCNRMET-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)N1CCN(C)CC1 ZINC001191000412 781893841 /nfs/dbraw/zinc/89/38/41/781893841.db2.gz RSJMXKTUKDUDQI-UHFFFAOYSA-N 1 1 321.491 -1.048 20 0 DAADMO CN(CCCNS(=O)(=O)N1CCN(C)CC1)CC[NH+](C)C ZINC001191000412 781893847 /nfs/dbraw/zinc/89/38/47/781893847.db2.gz RSJMXKTUKDUDQI-UHFFFAOYSA-N 1 1 321.491 -1.048 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001191027819 781894596 /nfs/dbraw/zinc/89/45/96/781894596.db2.gz PXGLWTMEABCBSM-YNEHKIRRSA-N 1 1 302.371 -1.086 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(C)=O)C1 ZINC001191027819 781894602 /nfs/dbraw/zinc/89/46/02/781894602.db2.gz PXGLWTMEABCBSM-YNEHKIRRSA-N 1 1 302.371 -1.086 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041928 781894816 /nfs/dbraw/zinc/89/48/16/781894816.db2.gz XALRTCBGBSMIBC-QWRGUYRKSA-N 1 1 324.385 -1.751 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001191011052 781895278 /nfs/dbraw/zinc/89/52/78/781895278.db2.gz DVIRPYIPUBJNJS-CYZMBNFOSA-N 1 1 312.370 -1.489 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040873 781895488 /nfs/dbraw/zinc/89/54/88/781895488.db2.gz MCCFDTNJBGOZEW-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040873 781895498 /nfs/dbraw/zinc/89/54/98/781895498.db2.gz MCCFDTNJBGOZEW-JTQLQIEISA-N 1 1 310.358 -2.140 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040925 781895811 /nfs/dbraw/zinc/89/58/11/781895811.db2.gz MYVGTMNFTODSIR-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191040925 781895822 /nfs/dbraw/zinc/89/58/22/781895822.db2.gz MYVGTMNFTODSIR-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001191041816 781896082 /nfs/dbraw/zinc/89/60/82/781896082.db2.gz LFLHMGJBNCWTTR-CHWSQXEVSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191127678 781896513 /nfs/dbraw/zinc/89/65/13/781896513.db2.gz NSFDZECOYMSDJT-HBNTYKKESA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001191127678 781896519 /nfs/dbraw/zinc/89/65/19/781896519.db2.gz NSFDZECOYMSDJT-HBNTYKKESA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191121195 781896754 /nfs/dbraw/zinc/89/67/54/781896754.db2.gz ZESIYMXSAATWHN-SFYZADRCSA-N 1 1 309.330 -1.466 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)[nH]n1 ZINC001191114236 781896767 /nfs/dbraw/zinc/89/67/67/781896767.db2.gz QBXTYUHEQZFNGM-CYZMBNFOSA-N 1 1 312.370 -1.246 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191121387 781897018 /nfs/dbraw/zinc/89/70/18/781897018.db2.gz RXAAAPSMYXRXSJ-IJLUTSLNSA-N 1 1 313.358 -2.163 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090588 781899524 /nfs/dbraw/zinc/89/95/24/781899524.db2.gz CZRCOXVWGIEJFU-ZJUUUORDSA-N 1 1 323.340 -1.092 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001191168714 781900617 /nfs/dbraw/zinc/90/06/17/781900617.db2.gz JLBNCJVEHLRJFQ-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)[C@H]1COCCO1 ZINC001191170190 781901815 /nfs/dbraw/zinc/90/18/15/781901815.db2.gz SUERALGNORQZCR-MGPQQGTHSA-N 1 1 314.382 -1.010 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)[C@H]1COCCO1 ZINC001191170190 781901817 /nfs/dbraw/zinc/90/18/17/781901817.db2.gz SUERALGNORQZCR-MGPQQGTHSA-N 1 1 314.382 -1.010 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001191185852 781902876 /nfs/dbraw/zinc/90/28/76/781902876.db2.gz QBJIIDINCAXSEF-ZIAGYGMSSA-N 1 1 323.397 -1.398 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191186044 781903148 /nfs/dbraw/zinc/90/31/48/781903148.db2.gz VCMNNOBKIAMFFA-CHWSQXEVSA-N 1 1 309.370 -1.477 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191185506 781903191 /nfs/dbraw/zinc/90/31/91/781903191.db2.gz IKAGZKFRNDPOCH-VXGBXAGGSA-N 1 1 303.359 -2.365 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191185506 781903196 /nfs/dbraw/zinc/90/31/96/781903196.db2.gz IKAGZKFRNDPOCH-VXGBXAGGSA-N 1 1 303.359 -2.365 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001191186180 781903462 /nfs/dbraw/zinc/90/34/62/781903462.db2.gz XSYMYJCXLFVRIW-ZIAGYGMSSA-N 1 1 323.397 -1.398 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191294706 781904150 /nfs/dbraw/zinc/90/41/50/781904150.db2.gz NJVOGWIWQYZDPT-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191294706 781904156 /nfs/dbraw/zinc/90/41/56/781904156.db2.gz NJVOGWIWQYZDPT-CHWSQXEVSA-N 1 1 310.354 -1.431 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270436 781904612 /nfs/dbraw/zinc/90/46/12/781904612.db2.gz HXJNWYXKUXNKPA-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191270436 781904621 /nfs/dbraw/zinc/90/46/21/781904621.db2.gz HXJNWYXKUXNKPA-QJPTWQEYSA-N 1 1 314.386 -1.402 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 ZINC001191293765 781904687 /nfs/dbraw/zinc/90/46/87/781904687.db2.gz HYQWLOUEDYYJPC-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncnc2C)C1 ZINC001191293765 781904693 /nfs/dbraw/zinc/90/46/93/781904693.db2.gz HYQWLOUEDYYJPC-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191306849 781905123 /nfs/dbraw/zinc/90/51/23/781905123.db2.gz CMRWRGBEGTUDRC-GHMZBOCLSA-N 1 1 316.383 -1.024 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191306849 781905132 /nfs/dbraw/zinc/90/51/32/781905132.db2.gz CMRWRGBEGTUDRC-GHMZBOCLSA-N 1 1 316.383 -1.024 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314555 781906673 /nfs/dbraw/zinc/90/66/73/781906673.db2.gz HENGVQBMRMCXLU-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191314812 781906968 /nfs/dbraw/zinc/90/69/68/781906968.db2.gz LNIKCTQALNHJJU-IJLUTSLNSA-N 1 1 315.370 -2.319 20 0 DAADMO COCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191335156 781907736 /nfs/dbraw/zinc/90/77/36/781907736.db2.gz IYKXAZDRYYVDAV-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191335156 781907748 /nfs/dbraw/zinc/90/77/48/781907748.db2.gz IYKXAZDRYYVDAV-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191393283 781908140 /nfs/dbraw/zinc/90/81/40/781908140.db2.gz RUGGHNHAWGQMGM-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191391595 781908610 /nfs/dbraw/zinc/90/86/10/781908610.db2.gz BMRZNMVKPXPNEV-NXEZZACHSA-N 1 1 312.330 -2.205 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191391595 781908621 /nfs/dbraw/zinc/90/86/21/781908621.db2.gz BMRZNMVKPXPNEV-NXEZZACHSA-N 1 1 312.330 -2.205 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191384330 781908884 /nfs/dbraw/zinc/90/88/84/781908884.db2.gz SEJWJAMCPJICCO-GHMZBOCLSA-N 1 1 319.358 -1.833 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191384330 781908889 /nfs/dbraw/zinc/90/88/89/781908889.db2.gz SEJWJAMCPJICCO-GHMZBOCLSA-N 1 1 319.358 -1.833 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001191393645 781909151 /nfs/dbraw/zinc/90/91/51/781909151.db2.gz YJVZMNPVDLSMQN-GMTAPVOTSA-N 1 1 301.343 -1.460 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191393666 781910180 /nfs/dbraw/zinc/91/01/80/781910180.db2.gz ZFTPSAWBMFZEHV-NXEZZACHSA-N 1 1 305.331 -2.487 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191393666 781910187 /nfs/dbraw/zinc/91/01/87/781910187.db2.gz ZFTPSAWBMFZEHV-NXEZZACHSA-N 1 1 305.331 -2.487 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)nn1C ZINC001191376836 781910680 /nfs/dbraw/zinc/91/06/80/781910680.db2.gz AORRGVZULRPOOJ-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)nn1C ZINC001191376836 781910686 /nfs/dbraw/zinc/91/06/86/781910686.db2.gz AORRGVZULRPOOJ-CHWSQXEVSA-N 1 1 312.370 -1.488 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441468 781912113 /nfs/dbraw/zinc/91/21/13/781912113.db2.gz KFKFRQQTXJXYBH-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441468 781912118 /nfs/dbraw/zinc/91/21/18/781912118.db2.gz KFKFRQQTXJXYBH-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@@H](O)CN2CCOCC2)C1=O ZINC001191474543 781912391 /nfs/dbraw/zinc/91/23/91/781912391.db2.gz IYAFGJMZTCQPAN-NWDGAFQWSA-N 1 1 314.386 -1.448 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191455870 781912479 /nfs/dbraw/zinc/91/24/79/781912479.db2.gz CIYSCZCURPRIIF-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191455870 781912487 /nfs/dbraw/zinc/91/24/87/781912487.db2.gz CIYSCZCURPRIIF-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191466004 781913073 /nfs/dbraw/zinc/91/30/73/781913073.db2.gz HOSDRSYOIMOQOP-IJLUTSLNSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191515830 781913837 /nfs/dbraw/zinc/91/38/37/781913837.db2.gz YCVMGSOUCVHYNO-QMMMGPOBSA-N 1 1 322.312 -1.004 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)COCC(F)F)C1 ZINC001191515830 781913843 /nfs/dbraw/zinc/91/38/43/781913843.db2.gz YCVMGSOUCVHYNO-QMMMGPOBSA-N 1 1 322.312 -1.004 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001191551364 781914362 /nfs/dbraw/zinc/91/43/62/781914362.db2.gz KPCQMCHGYFKCJX-IUCAKERBSA-N 1 1 321.403 -2.553 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550593 781914428 /nfs/dbraw/zinc/91/44/28/781914428.db2.gz CYILVOXSVUKROO-VHSXEESVSA-N 1 1 320.415 -1.538 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550593 781914435 /nfs/dbraw/zinc/91/44/35/781914435.db2.gz CYILVOXSVUKROO-VHSXEESVSA-N 1 1 320.415 -1.538 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543120 781914478 /nfs/dbraw/zinc/91/44/78/781914478.db2.gz KDTHSJVMUVXKLL-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)NC)C1 ZINC001191543120 781914482 /nfs/dbraw/zinc/91/44/82/781914482.db2.gz KDTHSJVMUVXKLL-VIFPVBQESA-N 1 1 321.403 -2.681 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001191551365 781914822 /nfs/dbraw/zinc/91/48/22/781914822.db2.gz KPCQMCHGYFKCJX-RKDXNWHRSA-N 1 1 321.403 -2.553 20 0 DAADMO CCC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)S(N)(=O)=O ZINC001191552936 781914903 /nfs/dbraw/zinc/91/49/03/781914903.db2.gz XXWIRNRWQZIFTK-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCCOC)C1 ZINC001191550498 781915088 /nfs/dbraw/zinc/91/50/88/781915088.db2.gz BZJUKFYGFVMACN-LLVKDONJSA-N 1 1 322.431 -1.391 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550594 781915289 /nfs/dbraw/zinc/91/52/89/781915289.db2.gz CYILVOXSVUKROO-ZJUUUORDSA-N 1 1 320.415 -1.538 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)S(N)(=O)=O ZINC001191550594 781915295 /nfs/dbraw/zinc/91/52/95/781915295.db2.gz CYILVOXSVUKROO-ZJUUUORDSA-N 1 1 320.415 -1.538 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001191551362 781915528 /nfs/dbraw/zinc/91/55/28/781915528.db2.gz KPCQMCHGYFKCJX-BDAKNGLRSA-N 1 1 321.403 -2.553 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2[nH]ncc2-c2ccccn2)[C@H]2NCN[C@@H]21 ZINC001191501330 781915583 /nfs/dbraw/zinc/91/55/83/781915583.db2.gz UNUTVALYNGQETB-JHJVBQTASA-N 1 1 314.353 -1.396 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001191561766 781916537 /nfs/dbraw/zinc/91/65/37/781916537.db2.gz TZUXWIGKHBZSHF-VHSXEESVSA-N 1 1 308.404 -2.046 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001191560537 781916571 /nfs/dbraw/zinc/91/65/71/781916571.db2.gz GABUVCRECGWBQW-MRVPVSSYSA-N 1 1 307.376 -2.942 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001191560537 781916576 /nfs/dbraw/zinc/91/65/76/781916576.db2.gz GABUVCRECGWBQW-MRVPVSSYSA-N 1 1 307.376 -2.942 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C ZINC001377588247 921843291 /nfs/dbraw/zinc/84/32/91/921843291.db2.gz FVZUUWNVMRDQEJ-NXEZZACHSA-N 1 1 300.363 -1.020 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[NH2+]Cc2cn(C)nn2)c(=O)n1C ZINC001376861694 921738775 /nfs/dbraw/zinc/73/87/75/921738775.db2.gz BWRTWYWTDCQCCS-VIFPVBQESA-N 1 1 322.373 -1.687 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001376861177 921739195 /nfs/dbraw/zinc/73/91/95/921739195.db2.gz CEKQQWGARZJOCP-SCZZXKLOSA-N 1 1 316.387 -1.899 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CCCC(N)=O)CCO1 ZINC001376863492 921740093 /nfs/dbraw/zinc/74/00/93/921740093.db2.gz NIWLMRRGERGGBI-LLVKDONJSA-N 1 1 324.385 -1.212 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001376890885 921741953 /nfs/dbraw/zinc/74/19/53/921741953.db2.gz FTPHKURIFZCGQW-NSHDSACASA-N 1 1 322.431 -1.607 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001376904829 921746312 /nfs/dbraw/zinc/74/63/12/921746312.db2.gz QNHJPJMDNFAEHN-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CN1CCCS1(=O)=O ZINC001376937601 921750299 /nfs/dbraw/zinc/75/02/99/921750299.db2.gz CWWWCJRUQOKOJR-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001376970835 921755291 /nfs/dbraw/zinc/75/52/91/921755291.db2.gz ATGXDVGLKDNLTN-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001376965863 921755687 /nfs/dbraw/zinc/75/56/87/921755687.db2.gz UDAQGGSTGQNQJV-SCZZXKLOSA-N 1 1 308.342 -1.506 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnn(C)n1 ZINC001377056229 921759898 /nfs/dbraw/zinc/75/98/98/921759898.db2.gz YMOJCRIABJPBAZ-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001377068969 921762235 /nfs/dbraw/zinc/76/22/35/921762235.db2.gz UGBBWQJMBLPKGK-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001377076569 921763205 /nfs/dbraw/zinc/76/32/05/921763205.db2.gz RDDSQNRIRZKSLM-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001377076569 921763214 /nfs/dbraw/zinc/76/32/14/921763214.db2.gz RDDSQNRIRZKSLM-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001377076574 921763457 /nfs/dbraw/zinc/76/34/57/921763457.db2.gz RDDSQNRIRZKSLM-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001377076574 921763471 /nfs/dbraw/zinc/76/34/71/921763471.db2.gz RDDSQNRIRZKSLM-MWLCHTKSSA-N 1 1 323.353 -1.253 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(C)=O ZINC001377108834 921764928 /nfs/dbraw/zinc/76/49/28/921764928.db2.gz HZSIKTNXGHJHDF-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(C)=O ZINC001377108834 921764936 /nfs/dbraw/zinc/76/49/36/921764936.db2.gz HZSIKTNXGHJHDF-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377114042 921765548 /nfs/dbraw/zinc/76/55/48/921765548.db2.gz AFASOHVYGYJMLN-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377116901 921766891 /nfs/dbraw/zinc/76/68/91/921766891.db2.gz IEPPRCRTDYJCFQ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC001377116901 921766904 /nfs/dbraw/zinc/76/69/04/921766904.db2.gz IEPPRCRTDYJCFQ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001377114041 921767465 /nfs/dbraw/zinc/76/74/65/921767465.db2.gz AFASOHVYGYJMLN-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@H](O)Cn1cccn1 ZINC001377134310 921768356 /nfs/dbraw/zinc/76/83/56/921768356.db2.gz VRNZLHCABGUPTR-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)C[C@@H](O)Cn1cccn1 ZINC001377134309 921768707 /nfs/dbraw/zinc/76/87/07/921768707.db2.gz VRNZLHCABGUPTR-QWHCGFSZSA-N 1 1 323.397 -1.182 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001377125500 921770161 /nfs/dbraw/zinc/77/01/61/921770161.db2.gz DBXTYSXYBVABTH-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC001377125500 921770168 /nfs/dbraw/zinc/77/01/68/921770168.db2.gz DBXTYSXYBVABTH-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001377132065 921770365 /nfs/dbraw/zinc/77/03/65/921770365.db2.gz AMYFTRSFTCUXDC-HTQZYQBOSA-N 1 1 300.315 -1.962 20 0 DAADMO COC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001377132065 921770375 /nfs/dbraw/zinc/77/03/75/921770375.db2.gz AMYFTRSFTCUXDC-HTQZYQBOSA-N 1 1 300.315 -1.962 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377149390 921771911 /nfs/dbraw/zinc/77/19/11/921771911.db2.gz FYCKHVOUZPYYFL-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CO[C@H]1CCOC1 ZINC001377149390 921771928 /nfs/dbraw/zinc/77/19/28/921771928.db2.gz FYCKHVOUZPYYFL-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001377159283 921772943 /nfs/dbraw/zinc/77/29/43/921772943.db2.gz IEKXCQKTTXMAJO-SNVBAGLBSA-N 1 1 308.342 -1.207 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001377150715 921773498 /nfs/dbraw/zinc/77/34/98/921773498.db2.gz LUYBMZSNFHOHOJ-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377148531 921774514 /nfs/dbraw/zinc/77/45/14/921774514.db2.gz UHKZCGYKHDWRAS-UHFFFAOYSA-N 1 1 313.358 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377148531 921774528 /nfs/dbraw/zinc/77/45/28/921774528.db2.gz UHKZCGYKHDWRAS-UHFFFAOYSA-N 1 1 313.358 -2.032 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001377172832 921776344 /nfs/dbraw/zinc/77/63/44/921776344.db2.gz UUQRRWCZZKJMIJ-UHFFFAOYSA-N 1 1 319.387 -1.365 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001377172832 921776355 /nfs/dbraw/zinc/77/63/55/921776355.db2.gz UUQRRWCZZKJMIJ-UHFFFAOYSA-N 1 1 319.387 -1.365 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)c1=O ZINC001377165369 921776948 /nfs/dbraw/zinc/77/69/48/921776948.db2.gz WRVLAKCXFCMGER-LBPRGKRZSA-N 1 1 324.381 -1.369 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001377165247 921777405 /nfs/dbraw/zinc/77/74/05/921777405.db2.gz UPJSERXUGKBGAT-UHFFFAOYSA-N 1 1 309.370 -1.138 20 0 DAADMO C[N@H+](CCNC(=O)CCc1ccncn1)CC(=O)NC(N)=O ZINC001377170048 921777459 /nfs/dbraw/zinc/77/74/59/921777459.db2.gz WDVXVMHRNQBBIE-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1ccncn1)CC(=O)NC(N)=O ZINC001377170048 921777466 /nfs/dbraw/zinc/77/74/66/921777466.db2.gz WDVXVMHRNQBBIE-UHFFFAOYSA-N 1 1 308.342 -1.348 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)cn1 ZINC001377191029 921779227 /nfs/dbraw/zinc/77/92/27/921779227.db2.gz SEPZJUOFLPIBJF-UHFFFAOYSA-N 1 1 320.353 -1.069 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)Cn2ccc(=O)[nH]c2=O)cn1 ZINC001377191029 921779240 /nfs/dbraw/zinc/77/92/40/921779240.db2.gz SEPZJUOFLPIBJF-UHFFFAOYSA-N 1 1 320.353 -1.069 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001377183955 921781085 /nfs/dbraw/zinc/78/10/85/921781085.db2.gz QPORWBGYZXAMLZ-RISCZKNCSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)n1 ZINC001377175374 921781140 /nfs/dbraw/zinc/78/11/40/921781140.db2.gz ICCIVOLTJKBWOJ-LLVKDONJSA-N 1 1 307.358 -1.266 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001377183951 921781397 /nfs/dbraw/zinc/78/13/97/921781397.db2.gz QPORWBGYZXAMLZ-BXUZGUMPSA-N 1 1 301.387 -1.042 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377211161 921782317 /nfs/dbraw/zinc/78/23/17/921782317.db2.gz MAIXEHTZQMKUTQ-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001377211161 921782325 /nfs/dbraw/zinc/78/23/25/921782325.db2.gz MAIXEHTZQMKUTQ-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377221864 921786379 /nfs/dbraw/zinc/78/63/79/921786379.db2.gz ILYBGAPRNXOSLQ-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001377220986 921786617 /nfs/dbraw/zinc/78/66/17/921786617.db2.gz DYBZUYINOGRPCA-OUAUKWLOSA-N 1 1 303.359 -1.925 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001377211054 921784119 /nfs/dbraw/zinc/78/41/19/921784119.db2.gz KEKFJCWBUSVMRC-SNVBAGLBSA-N 1 1 314.390 -1.577 20 0 DAADMO O=C(NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1)c1cnn[nH]1 ZINC001377199108 921784400 /nfs/dbraw/zinc/78/44/00/921784400.db2.gz QHTASFKOUPPNBG-JTQLQIEISA-N 1 1 322.369 -1.048 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377210377 921785730 /nfs/dbraw/zinc/78/57/30/921785730.db2.gz ILJWJTYNXZVKDN-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCCS(N)(=O)=O ZINC001377210377 921785739 /nfs/dbraw/zinc/78/57/39/921785739.db2.gz ILJWJTYNXZVKDN-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001377223570 921787749 /nfs/dbraw/zinc/78/77/49/921787749.db2.gz KJUKWTVOYQOBGT-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001377223570 921787760 /nfs/dbraw/zinc/78/77/60/921787760.db2.gz KJUKWTVOYQOBGT-DTWKUNHWSA-N 1 1 311.342 -2.137 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)C(N)=O ZINC001377229148 921787844 /nfs/dbraw/zinc/78/78/44/921787844.db2.gz NXGWZLIKKMTCSG-UWVGGRQHSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O)C(N)=O ZINC001377229148 921787852 /nfs/dbraw/zinc/78/78/52/921787852.db2.gz NXGWZLIKKMTCSG-UWVGGRQHSA-N 1 1 313.358 -2.697 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)c1nnn(C)n1 ZINC001377231777 921787962 /nfs/dbraw/zinc/78/79/62/921787962.db2.gz DQVVKFIDROKSSX-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001377249569 921791063 /nfs/dbraw/zinc/79/10/63/921791063.db2.gz AKHWAAABXJFRKA-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001377249569 921791077 /nfs/dbraw/zinc/79/10/77/921791077.db2.gz AKHWAAABXJFRKA-SNVBAGLBSA-N 1 1 320.415 -1.844 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001377238169 921791420 /nfs/dbraw/zinc/79/14/20/921791420.db2.gz PNAXIIQNLCUEGC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001377238169 921791431 /nfs/dbraw/zinc/79/14/31/921791431.db2.gz PNAXIIQNLCUEGC-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377254266 921791529 /nfs/dbraw/zinc/79/15/29/921791529.db2.gz MMEVQQIUOLGEQP-MNOVXSKESA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377254266 921791544 /nfs/dbraw/zinc/79/15/44/921791544.db2.gz MMEVQQIUOLGEQP-MNOVXSKESA-N 1 1 309.370 -1.096 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001377238166 921792490 /nfs/dbraw/zinc/79/24/90/921792490.db2.gz PNAXIIQNLCUEGC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001377238166 921792498 /nfs/dbraw/zinc/79/24/98/921792498.db2.gz PNAXIIQNLCUEGC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001377233074 921792841 /nfs/dbraw/zinc/79/28/41/921792841.db2.gz UQQHMQSPIQBLMA-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001377242514 921792874 /nfs/dbraw/zinc/79/28/74/921792874.db2.gz DIPBRFKYLQJPAL-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001377242514 921792886 /nfs/dbraw/zinc/79/28/86/921792886.db2.gz DIPBRFKYLQJPAL-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001377264524 921793845 /nfs/dbraw/zinc/79/38/45/921793845.db2.gz BMGBKRGEUHHUQW-ZJUUUORDSA-N 1 1 309.388 -2.267 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001377263960 921793875 /nfs/dbraw/zinc/79/38/75/921793875.db2.gz ZOTCQXSJOGYNKK-IUCAKERBSA-N 1 1 310.362 -1.924 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001377257555 921794846 /nfs/dbraw/zinc/79/48/46/921794846.db2.gz YMKQEQZVLFWEPU-LLVKDONJSA-N 1 1 315.374 -2.054 20 0 DAADMO COC[C@H](C)[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001377261887 921795179 /nfs/dbraw/zinc/79/51/79/921795179.db2.gz RGDCYBKMSJMDQZ-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001377261887 921795195 /nfs/dbraw/zinc/79/51/95/921795195.db2.gz RGDCYBKMSJMDQZ-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001377265889 921795222 /nfs/dbraw/zinc/79/52/22/921795222.db2.gz JINSJBWVBSXEBS-LLVKDONJSA-N 1 1 315.399 -1.340 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)[C@H]2CCS(=O)(=O)N2)cn1 ZINC001377265889 921795236 /nfs/dbraw/zinc/79/52/36/921795236.db2.gz JINSJBWVBSXEBS-LLVKDONJSA-N 1 1 315.399 -1.340 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)c1C)CC(=O)NC(N)=O ZINC001377291669 921798308 /nfs/dbraw/zinc/79/83/08/921798308.db2.gz KVKRNRJTALVAHX-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001377262655 921796606 /nfs/dbraw/zinc/79/66/06/921796606.db2.gz XLFMJJHMKWJVDB-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1nc2ncccn2n1 ZINC001377262655 921796613 /nfs/dbraw/zinc/79/66/13/921796613.db2.gz XLFMJJHMKWJVDB-SNVBAGLBSA-N 1 1 319.369 -1.021 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796739 /nfs/dbraw/zinc/79/67/39/921796739.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)[C@H](C)C(=O)NC)C1 ZINC001377266865 921796750 /nfs/dbraw/zinc/79/67/50/921796750.db2.gz OTPRQYXGICPYPA-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnn(C)c1C)CC(=O)NC(N)=O ZINC001377291669 921798302 /nfs/dbraw/zinc/79/83/02/921798302.db2.gz KVKRNRJTALVAHX-UHFFFAOYSA-N 1 1 310.358 -1.025 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)CC[C@H]1CCOC1 ZINC001377277624 921797918 /nfs/dbraw/zinc/79/79/18/921797918.db2.gz USKLXYYBXPTMQN-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001377286902 921798987 /nfs/dbraw/zinc/79/89/87/921798987.db2.gz LDPDOPAPFARFCE-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001377286902 921799001 /nfs/dbraw/zinc/79/90/01/921799001.db2.gz LDPDOPAPFARFCE-ZJUUUORDSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](O)C(C)C)CC(=O)NC(=O)NC ZINC001377313414 921800811 /nfs/dbraw/zinc/80/08/11/921800811.db2.gz WSWSMMXCSVHOBI-LLVKDONJSA-N 1 1 302.375 -1.103 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](O)C(C)C)CC(=O)NC(=O)NC ZINC001377313414 921800824 /nfs/dbraw/zinc/80/08/24/921800824.db2.gz WSWSMMXCSVHOBI-LLVKDONJSA-N 1 1 302.375 -1.103 20 0 DAADMO COCCC(=O)N1CCC(O)(C[NH2+]Cc2nnnn2C)CC1 ZINC001377327590 921801631 /nfs/dbraw/zinc/80/16/31/921801631.db2.gz VCHWVDPMFRRLMI-UHFFFAOYSA-N 1 1 312.374 -1.310 20 0 DAADMO CC[N@H+](CCNC(=O)c1ncn(C)n1)CC(=O)NC(=O)NC ZINC001377309996 921802491 /nfs/dbraw/zinc/80/24/91/921802491.db2.gz OOBRXSFIXRHQDR-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)CC(=O)NC(=O)NC ZINC001377309996 921802504 /nfs/dbraw/zinc/80/25/04/921802504.db2.gz OOBRXSFIXRHQDR-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)C[C@H](O)COC ZINC001377310882 921802645 /nfs/dbraw/zinc/80/26/45/921802645.db2.gz OTNRBFLLFZZMSU-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001377328321 921803047 /nfs/dbraw/zinc/80/30/47/921803047.db2.gz LNZDNZCVGQVBKQ-SNVBAGLBSA-N 1 1 319.427 -1.006 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377337907 921805401 /nfs/dbraw/zinc/80/54/01/921805401.db2.gz CXULBXUFNQSYEM-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377337907 921805412 /nfs/dbraw/zinc/80/54/12/921805412.db2.gz CXULBXUFNQSYEM-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001377334109 921805965 /nfs/dbraw/zinc/80/59/65/921805965.db2.gz CBOUPMPNCVJDDI-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@H](C)C(=O)NC ZINC001377361224 921808926 /nfs/dbraw/zinc/80/89/26/921808926.db2.gz VHTCASCXUGZXMW-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)[C@H](C)C(=O)NC ZINC001377361224 921808929 /nfs/dbraw/zinc/80/89/29/921808929.db2.gz VHTCASCXUGZXMW-SNVBAGLBSA-N 1 1 309.370 -1.034 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364005 921809211 /nfs/dbraw/zinc/80/92/11/921809211.db2.gz FNWNAXOCXJXTAQ-NSHDSACASA-N 1 1 310.402 -1.002 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCNC1=O ZINC001377369081 921809375 /nfs/dbraw/zinc/80/93/75/921809375.db2.gz UTFXZFZGOBXVOK-UWVGGRQHSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C[C@H](O)COC ZINC001377366273 921809550 /nfs/dbraw/zinc/80/95/50/921809550.db2.gz CGWTYFUWUZJNQI-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC(C)C ZINC001377344871 921804829 /nfs/dbraw/zinc/80/48/29/921804829.db2.gz VYLAYFLXWCOUAG-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)CC(=O)NC(C)C ZINC001377344871 921804843 /nfs/dbraw/zinc/80/48/43/921804843.db2.gz VYLAYFLXWCOUAG-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C2)nn1 ZINC000971522457 916087820 /nfs/dbraw/zinc/08/78/20/916087820.db2.gz MCXLZCYQMGIDLP-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000974393521 916091901 /nfs/dbraw/zinc/09/19/01/916091901.db2.gz YUGPAWHELFDJQM-WYUUTHIRSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)n1 ZINC000987188188 916092586 /nfs/dbraw/zinc/09/25/86/916092586.db2.gz YHBQHGGDOITORB-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1cnn(C)n1 ZINC000987188192 916092845 /nfs/dbraw/zinc/09/28/45/916092845.db2.gz YHBQHGGDOITORB-RKDXNWHRSA-N 1 1 305.346 -1.269 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2CCOCC2=O)CC1 ZINC001003030651 916094957 /nfs/dbraw/zinc/09/49/57/916094957.db2.gz HMRZBCFAWWIKMR-UHFFFAOYSA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CC1CCN(C(=O)Cn2ncnn2)CC1)[C@@H]1CCNC1=O ZINC001029966053 916099209 /nfs/dbraw/zinc/09/92/09/916099209.db2.gz RPTLIHOLXOFICD-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 ZINC001083642205 916105361 /nfs/dbraw/zinc/10/53/61/916105361.db2.gz VZHAYUNOGPGVJI-WCQGTBRESA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3nccn3c2)[C@@H](O)C1 ZINC001083642204 916106242 /nfs/dbraw/zinc/10/62/42/916106242.db2.gz VZHAYUNOGPGVJI-JLLWLGSASA-N 1 1 305.338 -1.115 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(C)nn1C ZINC001083827581 916106602 /nfs/dbraw/zinc/10/66/02/916106602.db2.gz ZFXSOFUUAYBCSD-IEBDPFPHSA-N 1 1 312.370 -1.107 20 0 DAADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090530075 916108132 /nfs/dbraw/zinc/10/81/32/916108132.db2.gz AJGSPTLWOVMOIZ-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)ccn1 ZINC001090530075 916108141 /nfs/dbraw/zinc/10/81/41/916108141.db2.gz AJGSPTLWOVMOIZ-MNOVXSKESA-N 1 1 308.338 -1.373 20 0 DAADMO O=C(CN1CCCC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105152590 916117266 /nfs/dbraw/zinc/11/72/66/916117266.db2.gz CDVCNDDZIQNZBK-UHFFFAOYSA-N 1 1 322.369 -1.634 20 0 DAADMO O=C(Cc1ccon1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105195106 916123023 /nfs/dbraw/zinc/12/30/23/916123023.db2.gz ZBTNQOYNTQIJDY-UHFFFAOYSA-N 1 1 306.326 -1.026 20 0 DAADMO CCNC(=O)CCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105188317 916123054 /nfs/dbraw/zinc/12/30/54/916123054.db2.gz XOSMPDPSYNIDIM-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO CS(=O)(=O)CC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105178920 916123088 /nfs/dbraw/zinc/12/30/88/916123088.db2.gz YTRYLSRJVJLVBL-UHFFFAOYSA-N 1 1 317.371 -2.212 20 0 DAADMO COC[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC(N)=O)C2)nn1 ZINC001105197140 916123756 /nfs/dbraw/zinc/12/37/56/916123756.db2.gz HVVZWTKOMGIIOI-SECBINFHSA-N 1 1 310.358 -1.339 20 0 DAADMO Cn1ncc(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)c1N ZINC001105217866 916125799 /nfs/dbraw/zinc/12/57/99/916125799.db2.gz OZTZNTOGYOSZQQ-UHFFFAOYSA-N 1 1 320.357 -1.627 20 0 DAADMO Cc1c(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)nnn1C ZINC001105200096 916126193 /nfs/dbraw/zinc/12/61/93/916126193.db2.gz XVAFVZZYLWHASO-UHFFFAOYSA-N 1 1 320.357 -1.506 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105211491 916126375 /nfs/dbraw/zinc/12/63/75/916126375.db2.gz PRQZHWBWZWRLFH-JTQLQIEISA-N 1 1 323.353 -1.304 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111856655 916128154 /nfs/dbraw/zinc/12/81/54/916128154.db2.gz AXTKCLJMCVZLCF-SDBXPKJASA-N 1 1 311.342 -2.102 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111856655 916128168 /nfs/dbraw/zinc/12/81/68/916128168.db2.gz AXTKCLJMCVZLCF-SDBXPKJASA-N 1 1 311.342 -2.102 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857136 916128238 /nfs/dbraw/zinc/12/82/38/916128238.db2.gz XBWCZKIWSIVZGV-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857136 916128245 /nfs/dbraw/zinc/12/82/45/916128245.db2.gz XBWCZKIWSIVZGV-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001114370934 916131085 /nfs/dbraw/zinc/13/10/85/916131085.db2.gz AZPWOCPIDRBNJI-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001114370934 916131095 /nfs/dbraw/zinc/13/10/95/916131095.db2.gz AZPWOCPIDRBNJI-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncccc1O)N1CCNC(=O)C1 ZINC001126125420 916139798 /nfs/dbraw/zinc/13/97/98/916139798.db2.gz WWFCCRGPGLFLHR-UHFFFAOYSA-N 1 1 321.337 -1.935 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cnc(N)nc1)C2 ZINC001138163741 916143272 /nfs/dbraw/zinc/14/32/72/916143272.db2.gz BSTKNBBGGYAVHU-CQSZACIVSA-N 1 1 304.354 -1.018 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1cnc(N)nc1)C2 ZINC001138163741 916143280 /nfs/dbraw/zinc/14/32/80/916143280.db2.gz BSTKNBBGGYAVHU-CQSZACIVSA-N 1 1 304.354 -1.018 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247633 916156494 /nfs/dbraw/zinc/15/64/94/916156494.db2.gz RLWIFUINOHAWKB-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO COc1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(OC)n1 ZINC001190253379 916156769 /nfs/dbraw/zinc/15/67/69/916156769.db2.gz UDDJVUAPQYZVPR-DCAQKATOSA-N 1 1 308.342 -1.769 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247788 916157117 /nfs/dbraw/zinc/15/71/17/916157117.db2.gz SKTODWVDJRUTLN-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248141 916157377 /nfs/dbraw/zinc/15/73/77/916157377.db2.gz XGJNTOMBRVNUSC-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932304 916160334 /nfs/dbraw/zinc/16/03/34/916160334.db2.gz MBLMPJZZMQTXOL-FXBDTBDDSA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932304 916160348 /nfs/dbraw/zinc/16/03/48/916160348.db2.gz MBLMPJZZMQTXOL-FXBDTBDDSA-N 1 1 302.306 -1.669 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCO)CC1 ZINC001195925625 916160662 /nfs/dbraw/zinc/16/06/62/916160662.db2.gz FDEDKUHQKXJGGH-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932305 916160940 /nfs/dbraw/zinc/16/09/40/916160940.db2.gz MBLMPJZZMQTXOL-SZEHBUNVSA-N 1 1 302.306 -1.669 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932305 916160955 /nfs/dbraw/zinc/16/09/55/916160955.db2.gz MBLMPJZZMQTXOL-SZEHBUNVSA-N 1 1 302.306 -1.669 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932954 916161199 /nfs/dbraw/zinc/16/11/99/916161199.db2.gz ZBVVTPIIOIWXFO-GHMZBOCLSA-N 1 1 316.333 -1.013 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001195932954 916161210 /nfs/dbraw/zinc/16/12/10/916161210.db2.gz ZBVVTPIIOIWXFO-GHMZBOCLSA-N 1 1 316.333 -1.013 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCCO1 ZINC001251025301 916172861 /nfs/dbraw/zinc/17/28/61/916172861.db2.gz WDDKLSUYJFDFFF-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC(=O)CS(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001259031072 916176282 /nfs/dbraw/zinc/17/62/82/916176282.db2.gz ZVLWQCBOKSAKJS-UHFFFAOYSA-N 1 1 307.372 -1.757 20 0 DAADMO C[C@@H](C[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001266760330 916183408 /nfs/dbraw/zinc/18/34/08/916183408.db2.gz CIXQOGNHVNCKCG-WDEREUQCSA-N 1 1 319.427 -1.019 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266760712 916185061 /nfs/dbraw/zinc/18/50/61/916185061.db2.gz LBPWSRGOMHVWFP-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001266760712 916185068 /nfs/dbraw/zinc/18/50/68/916185068.db2.gz LBPWSRGOMHVWFP-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001312736965 916209664 /nfs/dbraw/zinc/20/96/64/916209664.db2.gz DWQLDGKYWGHLAE-JTQLQIEISA-N 1 1 323.419 -2.252 20 0 DAADMO COCC[NH+]1CCN(c2nnc(C)n2Cc2nnn(C)n2)CC1 ZINC001316123021 916214151 /nfs/dbraw/zinc/21/41/51/916214151.db2.gz DCFBQFFHRWVWLR-UHFFFAOYSA-N 1 1 321.389 -1.073 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001316621453 916218280 /nfs/dbraw/zinc/21/82/80/916218280.db2.gz BUAWYYSEOYTDBX-AEJSXWLSSA-N 1 1 320.353 -1.363 20 0 DAADMO Cn1cncc1C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316744194 916220430 /nfs/dbraw/zinc/22/04/30/916220430.db2.gz NRTKPGOKZDZIED-LLVKDONJSA-N 1 1 309.370 -1.309 20 0 DAADMO Cn1cncc1C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001316744194 916220451 /nfs/dbraw/zinc/22/04/51/916220451.db2.gz NRTKPGOKZDZIED-LLVKDONJSA-N 1 1 309.370 -1.309 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001316743115 916221467 /nfs/dbraw/zinc/22/14/67/916221467.db2.gz BMGJOJFSHCVUFP-QWRGUYRKSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001316743115 916221483 /nfs/dbraw/zinc/22/14/83/916221483.db2.gz BMGJOJFSHCVUFP-QWRGUYRKSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CCOCC[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001316764310 916224189 /nfs/dbraw/zinc/22/41/89/916224189.db2.gz RXVRVEAXTXWQQY-GFCCVEGCSA-N 1 1 322.427 -1.180 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)CC[N@H+]1CCCO ZINC001316795273 916226025 /nfs/dbraw/zinc/22/60/25/916226025.db2.gz DXXIMGRKKSUREK-NEPJUHHUSA-N 1 1 324.381 -1.112 20 0 DAADMO C[N@@H+](CCCNC(=O)CN1CCOCC1=O)[C@@H]1CCNC1=O ZINC001316827798 916227863 /nfs/dbraw/zinc/22/78/63/916227863.db2.gz FAKDRWCIKGPNHA-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO Cn1cc(C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)ccc1=O ZINC001316832684 916228665 /nfs/dbraw/zinc/22/86/65/916228665.db2.gz CUMKVWOYYBJYJF-UHFFFAOYSA-N 1 1 323.353 -1.368 20 0 DAADMO Cn1ncc(C(=O)NCCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)c1N ZINC001316816897 916228774 /nfs/dbraw/zinc/22/87/74/916228774.db2.gz LAXZZQHCLWLGET-JTQLQIEISA-N 1 1 322.369 -1.141 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cn[nH]n1)CC(=O)NC(=O)NC1CC1 ZINC001316834426 916229714 /nfs/dbraw/zinc/22/97/14/916229714.db2.gz ZPYCNJBTXZWACG-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO C[N@H+](CCCNC(=O)c1cnn[nH]1)CC(=O)NC(=O)NC1CC1 ZINC001316834426 916229730 /nfs/dbraw/zinc/22/97/30/916229730.db2.gz ZPYCNJBTXZWACG-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO C[N@@H+](CCCNC(=O)c1cnn[nH]1)CC(=O)NC(=O)NC1CC1 ZINC001316834426 916229744 /nfs/dbraw/zinc/22/97/44/916229744.db2.gz ZPYCNJBTXZWACG-UHFFFAOYSA-N 1 1 323.357 -1.155 20 0 DAADMO C[N@@H+](CCCNC(=O)C(=O)NCC(F)F)[C@H]1CCNC1=O ZINC001316833557 916230018 /nfs/dbraw/zinc/23/00/18/916230018.db2.gz UEJXODCKVOSOTG-QMMMGPOBSA-N 1 1 306.313 -1.306 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001316850415 916232291 /nfs/dbraw/zinc/23/22/91/916232291.db2.gz ZVSQJXIIDPVFKO-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001316867946 916232500 /nfs/dbraw/zinc/23/25/00/916232500.db2.gz AQWWAMWHACSSLT-BDAKNGLRSA-N 1 1 306.388 -2.010 20 0 DAADMO C[N@@H+](CCCNC(=O)CCCC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001316868764 916233309 /nfs/dbraw/zinc/23/33/09/916233309.db2.gz LKGJRRWPGHNUKR-SNVBAGLBSA-N 1 1 312.370 -1.115 20 0 DAADMO C[N@@H+](CCCNC(=O)C(N)=O)CC(=O)NC1CCOCC1 ZINC001316845219 916234357 /nfs/dbraw/zinc/23/43/57/916234357.db2.gz FDPIIEQJMDEVED-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cncn1)[C@@H]1CCC(=O)NC1=O ZINC001316864084 916235232 /nfs/dbraw/zinc/23/52/32/916235232.db2.gz APMPKIRGHCLWHI-SNVBAGLBSA-N 1 1 308.342 -1.479 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+](C)[C@@H]2CCN(C)C2=O)c1=O ZINC001316836864 916235285 /nfs/dbraw/zinc/23/52/85/916235285.db2.gz VAXRXAMURQUGNP-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001316867955 916235426 /nfs/dbraw/zinc/23/54/26/916235426.db2.gz AQWWAMWHACSSLT-DTWKUNHWSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001316843467 916235965 /nfs/dbraw/zinc/23/59/65/916235965.db2.gz SFCHJQFRPZFVCK-MNOVXSKESA-N 1 1 302.375 -1.545 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001316852459 916236003 /nfs/dbraw/zinc/23/60/03/916236003.db2.gz KAGOFOKPPKXSLA-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO NC(=O)NCCC(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001316926410 916237577 /nfs/dbraw/zinc/23/75/77/916237577.db2.gz JAVBDPLHXARVHR-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001316943681 916238131 /nfs/dbraw/zinc/23/81/31/916238131.db2.gz HYMQJLJCBSUWFC-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316940645 916241717 /nfs/dbraw/zinc/24/17/17/916241717.db2.gz IRFVUNLIDHRZBC-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316940645 916241732 /nfs/dbraw/zinc/24/17/32/916241732.db2.gz IRFVUNLIDHRZBC-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@H+](CCCNC(=O)c1nnn(C)n1)Cc1cn(C)nn1 ZINC001316900000 916241842 /nfs/dbraw/zinc/24/18/42/916241842.db2.gz RFYUNCMBZZNPTO-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1nnn(C)n1)Cc1cn(C)nn1 ZINC001316900000 916241861 /nfs/dbraw/zinc/24/18/61/916241861.db2.gz RFYUNCMBZZNPTO-UHFFFAOYSA-N 1 1 307.362 -1.019 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316940646 916242234 /nfs/dbraw/zinc/24/22/34/916242234.db2.gz IRFVUNLIDHRZBC-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001316940646 916242253 /nfs/dbraw/zinc/24/22/53/916242253.db2.gz IRFVUNLIDHRZBC-QWRGUYRKSA-N 1 1 324.381 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NCCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001316926415 916242290 /nfs/dbraw/zinc/24/22/90/916242290.db2.gz JAVBDPLHXARVHR-NSHDSACASA-N 1 1 311.386 -1.096 20 0 DAADMO CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001316942841 916242504 /nfs/dbraw/zinc/24/25/04/916242504.db2.gz BYVFHXJRYWGJHD-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO CNC(=O)[C@H](C)N1CC[NH+](CCCNC(=O)c2cnon2)CC1 ZINC001316960675 916246178 /nfs/dbraw/zinc/24/61/78/916246178.db2.gz UDBQRVWZVJBGOR-NSHDSACASA-N 1 1 324.385 -1.058 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985775 916250844 /nfs/dbraw/zinc/25/08/44/916250844.db2.gz NDRJVLLRJRAKPT-RKDXNWHRSA-N 1 1 308.338 -1.752 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001316985775 916250858 /nfs/dbraw/zinc/25/08/58/916250858.db2.gz NDRJVLLRJRAKPT-RKDXNWHRSA-N 1 1 308.338 -1.752 20 0 DAADMO CN(CC[N@@H+]1CC[C@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001316975584 916251801 /nfs/dbraw/zinc/25/18/01/916251801.db2.gz YMVWOWWONVGUHH-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001316975584 916251828 /nfs/dbraw/zinc/25/18/28/916251828.db2.gz YMVWOWWONVGUHH-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001316989317 916254189 /nfs/dbraw/zinc/25/41/89/916254189.db2.gz UMRQKBSTURCCHI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001316989317 916254210 /nfs/dbraw/zinc/25/42/10/916254210.db2.gz UMRQKBSTURCCHI-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@H]([NH2+]Cc1cnon1)C1CC1 ZINC001317025745 916255173 /nfs/dbraw/zinc/25/51/73/916255173.db2.gz CVIMVQRPNCDLJH-JTQLQIEISA-N 1 1 322.325 -1.394 20 0 DAADMO CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001317087762 916263120 /nfs/dbraw/zinc/26/31/20/916263120.db2.gz PKRSIRXPVPZIPY-MGCOHNPYSA-N 1 1 310.358 -1.192 20 0 DAADMO CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001317087762 916263136 /nfs/dbraw/zinc/26/31/36/916263136.db2.gz PKRSIRXPVPZIPY-MGCOHNPYSA-N 1 1 310.358 -1.192 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001317119187 916268499 /nfs/dbraw/zinc/26/84/99/916268499.db2.gz KYKJLVOSWVULGM-OCAPTIKFSA-N 1 1 319.362 -1.052 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001317131703 916270012 /nfs/dbraw/zinc/27/00/12/916270012.db2.gz CRKOBYOXBDUJHW-LLVKDONJSA-N 1 1 324.381 -1.161 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCOCCO)C1)[C@H]1COC(=O)N1 ZINC001317130992 916270331 /nfs/dbraw/zinc/27/03/31/916270331.db2.gz NDGBAJJMXVRVOC-NWDGAFQWSA-N 1 1 315.370 -1.068 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001317206503 916274101 /nfs/dbraw/zinc/27/41/01/916274101.db2.gz DNTBSRMBRABSGU-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](NC(=O)C(N)=O)[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001317206508 916274791 /nfs/dbraw/zinc/27/47/91/916274791.db2.gz DNTBSRMBRABSGU-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001317267862 916280304 /nfs/dbraw/zinc/28/03/04/916280304.db2.gz YOQWEVXSDDMCHB-VIFPVBQESA-N 1 1 323.353 -1.017 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)[NH2+]Cc1ncccn1 ZINC001317285695 916281042 /nfs/dbraw/zinc/28/10/42/916281042.db2.gz ZHFXKYGGDXBHSZ-SNVBAGLBSA-N 1 1 320.353 -1.035 20 0 DAADMO C[C@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001317267859 916282070 /nfs/dbraw/zinc/28/20/70/916282070.db2.gz YOQWEVXSDDMCHB-SECBINFHSA-N 1 1 323.353 -1.017 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278311 916282843 /nfs/dbraw/zinc/28/28/43/916282843.db2.gz VWSNWWGUZJCTEH-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278311 916282860 /nfs/dbraw/zinc/28/28/60/916282860.db2.gz VWSNWWGUZJCTEH-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278333 916284186 /nfs/dbraw/zinc/28/41/86/916284186.db2.gz VWSNWWGUZJCTEH-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317278333 916284206 /nfs/dbraw/zinc/28/42/06/916284206.db2.gz VWSNWWGUZJCTEH-QMMMGPOBSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001317371751 916292846 /nfs/dbraw/zinc/29/28/46/916292846.db2.gz VVSOJDGQELMKNE-RKDXNWHRSA-N 1 1 313.358 -1.632 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001317371748 916293171 /nfs/dbraw/zinc/29/31/71/916293171.db2.gz VVSOJDGQELMKNE-BDAKNGLRSA-N 1 1 313.358 -1.632 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCOCC1)[C@@H]1CCC(=O)NC1=O ZINC001317442345 916294634 /nfs/dbraw/zinc/29/46/34/916294634.db2.gz HDMUZWPRSVAFFH-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCOCC1)[C@@H]1CCC(=O)NC1=O ZINC001317442345 916294653 /nfs/dbraw/zinc/29/46/53/916294653.db2.gz HDMUZWPRSVAFFH-LLVKDONJSA-N 1 1 312.370 -1.828 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CCn1cnnn1 ZINC001317431798 916295647 /nfs/dbraw/zinc/29/56/47/916295647.db2.gz NMTOJVDWAVSWJM-NSHDSACASA-N 1 1 309.374 -1.091 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CCn1cnnn1 ZINC001317431797 916296261 /nfs/dbraw/zinc/29/62/61/916296261.db2.gz NMTOJVDWAVSWJM-LLVKDONJSA-N 1 1 309.374 -1.091 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317441699 916297337 /nfs/dbraw/zinc/29/73/37/916297337.db2.gz DPFRKYZISMXURH-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317441699 916297353 /nfs/dbraw/zinc/29/73/53/916297353.db2.gz DPFRKYZISMXURH-JTQLQIEISA-N 1 1 312.370 -1.244 20 0 DAADMO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001317409680 916297877 /nfs/dbraw/zinc/29/78/77/916297877.db2.gz SSPMRZDCMXONAN-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001317409680 916297896 /nfs/dbraw/zinc/29/78/96/916297896.db2.gz SSPMRZDCMXONAN-MRVPVSSYSA-N 1 1 309.330 -1.546 20 0 DAADMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)C[C@@H](O)Cn1cccn1 ZINC001317459774 916300085 /nfs/dbraw/zinc/30/00/85/916300085.db2.gz QBXORWBDXPJHKH-LLVKDONJSA-N 1 1 309.370 -1.443 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459067 916300632 /nfs/dbraw/zinc/30/06/32/916300632.db2.gz NKMZDPWWAIOBGG-MNOVXSKESA-N 1 1 319.427 -1.149 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O)CS(C)(=O)=O ZINC001317459067 916300653 /nfs/dbraw/zinc/30/06/53/916300653.db2.gz NKMZDPWWAIOBGG-MNOVXSKESA-N 1 1 319.427 -1.149 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn[nH]n1)CCN1C(=O)NC(C)(C)C1=O ZINC001317452567 916300846 /nfs/dbraw/zinc/30/08/46/916300846.db2.gz FQJILXSZLGVMOC-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO C[N@H+](CCNC(=O)c1cnn[nH]1)CCN1C(=O)NC(C)(C)C1=O ZINC001317452567 916300867 /nfs/dbraw/zinc/30/08/67/916300867.db2.gz FQJILXSZLGVMOC-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnn[nH]1)CCN1C(=O)NC(C)(C)C1=O ZINC001317452567 916300888 /nfs/dbraw/zinc/30/08/88/916300888.db2.gz FQJILXSZLGVMOC-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[C@]1(C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454019 916301454 /nfs/dbraw/zinc/30/14/54/916301454.db2.gz XCVWOBYYTWRTGQ-BMIGLBTASA-N 1 1 324.381 -1.244 20 0 DAADMO CC[C@]1(C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001317454019 916301473 /nfs/dbraw/zinc/30/14/73/916301473.db2.gz XCVWOBYYTWRTGQ-BMIGLBTASA-N 1 1 324.381 -1.244 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317460087 916302030 /nfs/dbraw/zinc/30/20/30/916302030.db2.gz WDCKZWDPIJMDDB-JTQLQIEISA-N 1 1 323.353 -1.105 20 0 DAADMO COc1nn(C)cc1C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001317460087 916302050 /nfs/dbraw/zinc/30/20/50/916302050.db2.gz WDCKZWDPIJMDDB-JTQLQIEISA-N 1 1 323.353 -1.105 20 0 DAADMO C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)CCN1C(=O)CCC1=O ZINC001317453985 916302091 /nfs/dbraw/zinc/30/20/91/916302091.db2.gz VYFTVALDMAZITM-UHFFFAOYSA-N 1 1 312.370 -1.305 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1CCNC1=O)S(C)(=O)=O ZINC001317458308 916303354 /nfs/dbraw/zinc/30/33/54/916303354.db2.gz GMJNDQHBQLQTNQ-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O)S(C)(=O)=O ZINC001317458308 916303376 /nfs/dbraw/zinc/30/33/76/916303376.db2.gz GMJNDQHBQLQTNQ-JTQLQIEISA-N 1 1 320.415 -1.938 20 0 DAADMO Cn1nc(C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)ccc1=O ZINC001317468970 916303682 /nfs/dbraw/zinc/30/36/82/916303682.db2.gz HKMDWXXHKYQGOO-JTQLQIEISA-N 1 1 321.337 -1.753 20 0 DAADMO Cn1nc(C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)ccc1=O ZINC001317468970 916303704 /nfs/dbraw/zinc/30/37/04/916303704.db2.gz HKMDWXXHKYQGOO-JTQLQIEISA-N 1 1 321.337 -1.753 20 0 DAADMO Cc1nc[nH]c1CC(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001317468877 916303827 /nfs/dbraw/zinc/30/38/27/916303827.db2.gz HQAWUZVRNYBAOU-UHFFFAOYSA-N 1 1 322.369 -1.140 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)NCC1CC1)[C@@H]1CCC(=O)NC1=O ZINC001317467621 916304394 /nfs/dbraw/zinc/30/43/94/916304394.db2.gz IVXSHAALJYCSLH-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCC1CC1)[C@@H]1CCC(=O)NC1=O ZINC001317467621 916304414 /nfs/dbraw/zinc/30/44/14/916304414.db2.gz IVXSHAALJYCSLH-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)C(N)=O ZINC001317488570 916306267 /nfs/dbraw/zinc/30/62/67/916306267.db2.gz IEMKXQUEWNEUCT-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CC(=O)N(C)C1=O)[C@@H](C)C(N)=O ZINC001317488570 916306287 /nfs/dbraw/zinc/30/62/87/916306287.db2.gz IEMKXQUEWNEUCT-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)CCn1cccn1 ZINC001317493466 916306611 /nfs/dbraw/zinc/30/66/11/916306611.db2.gz ZNKOXMWTLYHZTF-UHFFFAOYSA-N 1 1 322.369 -1.127 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001317470968 916308771 /nfs/dbraw/zinc/30/87/71/916308771.db2.gz ZLZZQRYUJAWRRJ-JTQLQIEISA-N 1 1 316.358 -2.064 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCc2nncn2C1)CCOCCO ZINC001317471088 916309347 /nfs/dbraw/zinc/30/93/47/916309347.db2.gz ABUSELLCTBIXDT-LBPRGKRZSA-N 1 1 311.386 -1.103 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317510175 916313621 /nfs/dbraw/zinc/31/36/21/916313621.db2.gz VCXYVZQDLAWHGV-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCOCCO)C1)C1CS(=O)(=O)C1 ZINC001317519910 916315078 /nfs/dbraw/zinc/31/50/78/916315078.db2.gz HTRSDZXXQRZMPO-LLVKDONJSA-N 1 1 320.411 -1.522 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCOCCO)C1)C1CS(=O)(=O)C1 ZINC001317519910 916315099 /nfs/dbraw/zinc/31/50/99/916315099.db2.gz HTRSDZXXQRZMPO-LLVKDONJSA-N 1 1 320.411 -1.522 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2CCC[N@H+]2CCN2CCNC2=O)CC1 ZINC001317510510 916315142 /nfs/dbraw/zinc/31/51/42/916315142.db2.gz WLZVABGDKYUZFF-NSHDSACASA-N 1 1 323.397 -1.142 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501562 916315795 /nfs/dbraw/zinc/31/57/95/916315795.db2.gz JOVFMWMCRFTZTQ-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501562 916315817 /nfs/dbraw/zinc/31/58/17/916315817.db2.gz JOVFMWMCRFTZTQ-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCOCCO)C1)[C@@H]1COC(=O)N1 ZINC001317517825 916316183 /nfs/dbraw/zinc/31/61/83/916316183.db2.gz DXRRQVZOMXVBCM-MNOVXSKESA-N 1 1 301.343 -1.458 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@@H+]1CCOCCO ZINC001317495591 916316672 /nfs/dbraw/zinc/31/66/72/916316672.db2.gz JQFKVPNZIRHAFF-CQSZACIVSA-N 1 1 315.414 -1.092 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001317516393 916317175 /nfs/dbraw/zinc/31/71/75/916317175.db2.gz NXKOLBHJABMPQI-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001317516393 916317196 /nfs/dbraw/zinc/31/71/96/916317196.db2.gz NXKOLBHJABMPQI-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501560 916317401 /nfs/dbraw/zinc/31/74/01/916317401.db2.gz JOVFMWMCRFTZTQ-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)N1C(=O)CCC1=O ZINC001317501560 916317423 /nfs/dbraw/zinc/31/74/23/916317423.db2.gz JOVFMWMCRFTZTQ-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001317534739 916319853 /nfs/dbraw/zinc/31/98/53/916319853.db2.gz KTFYPKLRSZCMTQ-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO NC(=O)C1(C(=O)NCC[N@H+](C2CC2)[C@H]2CCC(=O)NC2=O)CC1 ZINC001317557063 916320368 /nfs/dbraw/zinc/32/03/68/916320368.db2.gz VDTXALZCAZFBMM-JTQLQIEISA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCC(=O)NC2=O)CC1 ZINC001317557063 916320385 /nfs/dbraw/zinc/32/03/85/916320385.db2.gz VDTXALZCAZFBMM-JTQLQIEISA-N 1 1 322.365 -1.362 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001317550871 916320560 /nfs/dbraw/zinc/32/05/60/916320560.db2.gz CJGSIKKOKIJRGU-ZJUUUORDSA-N 1 1 324.381 -1.022 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H](C)N1C(=O)CCC1=O)C1CC1 ZINC001317550871 916320579 /nfs/dbraw/zinc/32/05/79/916320579.db2.gz CJGSIKKOKIJRGU-ZJUUUORDSA-N 1 1 324.381 -1.022 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001317538208 916321900 /nfs/dbraw/zinc/32/19/00/916321900.db2.gz GQFLFZNTWUKBRV-QWRGUYRKSA-N 1 1 324.381 -1.387 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001317538204 916322229 /nfs/dbraw/zinc/32/22/29/916322229.db2.gz GQFLFZNTWUKBRV-GHMZBOCLSA-N 1 1 324.381 -1.387 20 0 DAADMO CCC[N@@H+](CCNC(=O)C[C@@H]1NC(=O)NC1=O)C[C@@H](C)O ZINC001317541450 916324813 /nfs/dbraw/zinc/32/48/13/916324813.db2.gz WRLPHRFECJZHJM-ZJUUUORDSA-N 1 1 300.359 -1.207 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C1CC1)C(=O)[C@@H]1COCCO1 ZINC001317569795 916328217 /nfs/dbraw/zinc/32/82/17/916328217.db2.gz LJTAXMWSUFCAIO-NSHDSACASA-N 1 1 310.358 -1.029 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)CN1CCOCC1=O ZINC001317595957 916330125 /nfs/dbraw/zinc/33/01/25/916330125.db2.gz MVPRBLFYGJNDDO-UHFFFAOYSA-N 1 1 310.358 -1.778 20 0 DAADMO COCc1nn(C)cc1C(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001317602038 916330827 /nfs/dbraw/zinc/33/08/27/916330827.db2.gz JADNUGKXYHVMDA-UHFFFAOYSA-N 1 1 322.373 -1.048 20 0 DAADMO CCn1cc(C[NH2+]CCN(C)C(=O)Cn2ncn(C)c2=O)nn1 ZINC001317604310 916332175 /nfs/dbraw/zinc/33/21/75/916332175.db2.gz PQLWYGJEJLCEBE-UHFFFAOYSA-N 1 1 322.373 -1.559 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CCn1ncn(C)c1=O ZINC001317614940 916335423 /nfs/dbraw/zinc/33/54/23/916335423.db2.gz QUJGEVGKQUFFLQ-UHFFFAOYSA-N 1 1 322.373 -1.651 20 0 DAADMO CN(CC[NH2+]Cc1nnnn1C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001317607260 916336874 /nfs/dbraw/zinc/33/68/74/916336874.db2.gz GISWZVOTGQUGNH-UHFFFAOYSA-N 1 1 322.329 -2.279 20 0 DAADMO CN(CC[NH2+]CCN1CCNC1=O)C(=O)C1=NC(=O)N(C)C1 ZINC001317623034 916341271 /nfs/dbraw/zinc/34/12/71/916341271.db2.gz HKNWCULTUDAQDA-UHFFFAOYSA-N 1 1 310.358 -1.188 20 0 DAADMO CN(CC[NH2+]Cc1cc(=O)n2ccsc2n1)C(=O)C(N)=O ZINC001317625943 916341516 /nfs/dbraw/zinc/34/15/16/916341516.db2.gz HNJDWWICQBMTRT-UHFFFAOYSA-N 1 1 309.351 -1.211 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)CN2C(=O)CNC2=O)[nH]1 ZINC001317661747 916342972 /nfs/dbraw/zinc/34/29/72/916342972.db2.gz KPAGJBSACWLLHY-QMMMGPOBSA-N 1 1 323.357 -1.226 20 0 DAADMO CN(CC[NH2+]Cc1ncnn1C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001317661114 916343368 /nfs/dbraw/zinc/34/33/68/916343368.db2.gz IHADEJZHJSCOMM-VIFPVBQESA-N 1 1 323.357 -1.649 20 0 DAADMO CN(CC[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001317659956 916345836 /nfs/dbraw/zinc/34/58/36/916345836.db2.gz BYZYHQUSCPFYOO-SNVBAGLBSA-N 1 1 316.387 -1.945 20 0 DAADMO CN(CC[N@H+]1CC[C@H](CCNC(=O)C(N)=O)C1)S(C)(=O)=O ZINC001317796794 916349323 /nfs/dbraw/zinc/34/93/23/916349323.db2.gz GENORLZGCWSVNE-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001317862326 916352897 /nfs/dbraw/zinc/35/28/97/916352897.db2.gz VTUAGGJRONIGLC-GHMZBOCLSA-N 1 1 324.381 -1.211 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)C1=O ZINC001317811846 916355453 /nfs/dbraw/zinc/35/54/53/916355453.db2.gz ROXMPVBKRNYJJR-LLVKDONJSA-N 1 1 312.370 -1.299 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001317853247 916355703 /nfs/dbraw/zinc/35/57/03/916355703.db2.gz JRLRDYABGKBPNO-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001317961626 916357034 /nfs/dbraw/zinc/35/70/34/916357034.db2.gz PFWLFALJICCPHN-MNOVXSKESA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001317961626 916357052 /nfs/dbraw/zinc/35/70/52/916357052.db2.gz PFWLFALJICCPHN-MNOVXSKESA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001317991599 916362731 /nfs/dbraw/zinc/36/27/31/916362731.db2.gz LTKCSXQVIVUPDN-NSHDSACASA-N 1 1 302.375 -1.366 20 0 DAADMO CNC(=O)NCC(=O)NC1C[NH+](CCCO[C@H]2CCOC2)C1 ZINC001318030550 916362958 /nfs/dbraw/zinc/36/29/58/916362958.db2.gz CWLXZFWRRAUOOQ-LBPRGKRZSA-N 1 1 314.386 -1.089 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)C(=O)NCC(F)F)C2)C1=O ZINC001318128938 916371328 /nfs/dbraw/zinc/37/13/28/916371328.db2.gz BGVVPGRACIDFMP-SECBINFHSA-N 1 1 318.324 -1.354 20 0 DAADMO O=C(Cn1ncnn1)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318123291 916371747 /nfs/dbraw/zinc/37/17/47/916371747.db2.gz VUHDVHLUNJFQIH-VIFPVBQESA-N 1 1 307.314 -2.474 20 0 DAADMO CCC(=O)NCC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318109990 916372401 /nfs/dbraw/zinc/37/24/01/916372401.db2.gz HNRXDWHPSANVHD-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO O=C(Cc1cc[nH]n1)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318110559 916372817 /nfs/dbraw/zinc/37/28/17/916372817.db2.gz UFOPENSWTIQKGN-LLVKDONJSA-N 1 1 305.338 -1.195 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318239448 916379558 /nfs/dbraw/zinc/37/95/58/916379558.db2.gz STDUUBUKYNRWER-IUCAKERBSA-N 1 1 312.326 -1.662 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318239448 916379578 /nfs/dbraw/zinc/37/95/78/916379578.db2.gz STDUUBUKYNRWER-IUCAKERBSA-N 1 1 312.326 -1.662 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001318243906 916381135 /nfs/dbraw/zinc/38/11/35/916381135.db2.gz BKBJYOBQLOJZAY-JTQLQIEISA-N 1 1 320.415 -1.618 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001318260772 916382788 /nfs/dbraw/zinc/38/27/88/916382788.db2.gz NHCCAWWSVKSVCC-NSHDSACASA-N 1 1 310.358 -1.239 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001318260772 916382805 /nfs/dbraw/zinc/38/28/05/916382805.db2.gz NHCCAWWSVKSVCC-NSHDSACASA-N 1 1 310.358 -1.239 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001318260772 916382826 /nfs/dbraw/zinc/38/28/26/916382826.db2.gz NHCCAWWSVKSVCC-NSHDSACASA-N 1 1 310.358 -1.239 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1ccc2nnnn2c1 ZINC001318283294 916382988 /nfs/dbraw/zinc/38/29/88/916382988.db2.gz ITFQQAFEMNNLBP-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351179 916391398 /nfs/dbraw/zinc/39/13/98/916391398.db2.gz CPPOQOKXPOXCLP-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001318351179 916391417 /nfs/dbraw/zinc/39/14/17/916391417.db2.gz CPPOQOKXPOXCLP-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001318360836 916391527 /nfs/dbraw/zinc/39/15/27/916391527.db2.gz WAQAYFWJMFNSEB-GHMZBOCLSA-N 1 1 314.342 -1.102 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001318393237 916391896 /nfs/dbraw/zinc/39/18/96/916391896.db2.gz JCCXBVGGYFHZGW-NWDGAFQWSA-N 1 1 309.370 -1.348 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001318360078 916392019 /nfs/dbraw/zinc/39/20/19/916392019.db2.gz DOGLXPNQMZKNJX-WDEREUQCSA-N 1 1 310.354 -1.502 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001318360003 916392101 /nfs/dbraw/zinc/39/21/01/916392101.db2.gz AJNJXWYORNCVSD-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001318360003 916392107 /nfs/dbraw/zinc/39/21/07/916392107.db2.gz AJNJXWYORNCVSD-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001318363440 916392224 /nfs/dbraw/zinc/39/22/24/916392224.db2.gz OTQZDMHUFKDFRO-MRVPVSSYSA-N 1 1 324.303 -1.009 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001318363440 916392244 /nfs/dbraw/zinc/39/22/44/916392244.db2.gz OTQZDMHUFKDFRO-MRVPVSSYSA-N 1 1 324.303 -1.009 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001318402263 916393310 /nfs/dbraw/zinc/39/33/10/916393310.db2.gz KWUOHGSTSVPFSF-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(F)F)C1 ZINC001318411305 916393545 /nfs/dbraw/zinc/39/35/45/916393545.db2.gz CFODHAUMXVHCIX-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CCOCC[N@H+]1CC[C@H](N(C)C(=O)CNS(=O)(=O)NC)C1 ZINC001318423381 916396983 /nfs/dbraw/zinc/39/69/83/916396983.db2.gz LAHRDZJXZSEMTG-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001318445597 916397884 /nfs/dbraw/zinc/39/78/84/916397884.db2.gz NVWKFFNVUZAHNF-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001318482880 916399655 /nfs/dbraw/zinc/39/96/55/916399655.db2.gz NIISYJLAAZHWER-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001318482880 916399673 /nfs/dbraw/zinc/39/96/73/916399673.db2.gz NIISYJLAAZHWER-JTQLQIEISA-N 1 1 310.354 -1.457 20 0 DAADMO CC[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nncn1C ZINC001318613846 916404458 /nfs/dbraw/zinc/40/44/58/916404458.db2.gz JHJYZVYYPZKYAN-VHSXEESVSA-N 1 1 322.369 -1.148 20 0 DAADMO CC[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1cn(C)nn1 ZINC001318614686 916404910 /nfs/dbraw/zinc/40/49/10/916404910.db2.gz QCWKUDQUCDICLC-VHSXEESVSA-N 1 1 322.369 -1.148 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001318657672 916408785 /nfs/dbraw/zinc/40/87/85/916408785.db2.gz BPOKAPWPEAURHE-VIFPVBQESA-N 1 1 319.387 -1.957 20 0 DAADMO Cn1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c(=O)n(C)c1=O ZINC001318885320 916410458 /nfs/dbraw/zinc/41/04/58/916410458.db2.gz DNOIOGSJKBMKNF-UHFFFAOYSA-N 1 1 323.397 -1.549 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001319046217 916416969 /nfs/dbraw/zinc/41/69/69/916416969.db2.gz RRULLRRLCNMSFM-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001319261585 916426409 /nfs/dbraw/zinc/42/64/09/916426409.db2.gz QSDOZDUEGKHHHQ-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001319261585 916426417 /nfs/dbraw/zinc/42/64/17/916426417.db2.gz QSDOZDUEGKHHHQ-SNVBAGLBSA-N 1 1 310.354 -1.092 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC001319444833 916436954 /nfs/dbraw/zinc/43/69/54/916436954.db2.gz VBWNKGVFILXONC-JTQLQIEISA-N 1 1 322.369 -1.222 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1=O ZINC001319581656 916442103 /nfs/dbraw/zinc/44/21/03/916442103.db2.gz NUONMIDHWHBHAH-SNVBAGLBSA-N 1 1 310.354 -1.140 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1=O ZINC001319581656 916442107 /nfs/dbraw/zinc/44/21/07/916442107.db2.gz NUONMIDHWHBHAH-SNVBAGLBSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)Cc1ncn[nH]1 ZINC001319559791 916442158 /nfs/dbraw/zinc/44/21/58/916442158.db2.gz IDRFASKTNJBPPL-SNVBAGLBSA-N 1 1 309.374 -1.191 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001319627591 916446061 /nfs/dbraw/zinc/44/60/61/916446061.db2.gz VIYZKDYFQIJRSE-QWRGUYRKSA-N 1 1 312.370 -1.062 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001319777262 916450554 /nfs/dbraw/zinc/45/05/54/916450554.db2.gz BUAXDHUFFYNLDX-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001319777262 916450572 /nfs/dbraw/zinc/45/05/72/916450572.db2.gz BUAXDHUFFYNLDX-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001319777262 916450582 /nfs/dbraw/zinc/45/05/82/916450582.db2.gz BUAXDHUFFYNLDX-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO O=C1NC(=O)N2CC[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]12 ZINC001319904473 916452846 /nfs/dbraw/zinc/45/28/46/916452846.db2.gz KHYDPTSMPFUTDM-ZYHUDNBSSA-N 1 1 313.354 -1.221 20 0 DAADMO O=C1NC(=O)N2CC[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]12 ZINC001319904473 916452855 /nfs/dbraw/zinc/45/28/55/916452855.db2.gz KHYDPTSMPFUTDM-ZYHUDNBSSA-N 1 1 313.354 -1.221 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001319934447 916455826 /nfs/dbraw/zinc/45/58/26/916455826.db2.gz CHJJPRBDUMHYSQ-QWRGUYRKSA-N 1 1 323.401 -1.081 20 0 DAADMO Cn1cnn(CC(=O)NCCCCN2CC[NH+](C)CC2)c1=O ZINC001319950027 916456288 /nfs/dbraw/zinc/45/62/88/916456288.db2.gz FGBTZRIWIDCNPX-UHFFFAOYSA-N 1 1 310.402 -1.274 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001319934449 916457678 /nfs/dbraw/zinc/45/76/78/916457678.db2.gz CHJJPRBDUMHYSQ-WDEREUQCSA-N 1 1 323.401 -1.081 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)CCN1C(=O)CCC1=O ZINC001319967330 916458518 /nfs/dbraw/zinc/45/85/18/916458518.db2.gz WXLBPOZMLWNCLE-UHFFFAOYSA-N 1 1 312.370 -1.338 20 0 DAADMO CN(CC[N@H+](C)C[C@H]1CCS(=O)(=O)C1)C(=O)CC(N)=O ZINC001319985173 916461993 /nfs/dbraw/zinc/46/19/93/916461993.db2.gz FWBAXFPSLCXPMQ-SNVBAGLBSA-N 1 1 305.400 -1.313 20 0 DAADMO CN(CC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1)C(=O)CC(N)=O ZINC001319985173 916462003 /nfs/dbraw/zinc/46/20/03/916462003.db2.gz FWBAXFPSLCXPMQ-SNVBAGLBSA-N 1 1 305.400 -1.313 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001320043322 916463732 /nfs/dbraw/zinc/46/37/32/916463732.db2.gz XWGYDAVCQURKHQ-MEBBXXQBSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001320043322 916463745 /nfs/dbraw/zinc/46/37/45/916463745.db2.gz XWGYDAVCQURKHQ-MEBBXXQBSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(CC[N@@H+](C)CC1CCS(=O)(=O)CC1)C(=O)C(N)=O ZINC001320047207 916464232 /nfs/dbraw/zinc/46/42/32/916464232.db2.gz HKBRVJZPGRXQDF-UHFFFAOYSA-N 1 1 305.400 -1.313 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001320079953 916467542 /nfs/dbraw/zinc/46/75/42/916467542.db2.gz BJUHYEPDDRXLBJ-JTQLQIEISA-N 1 1 316.358 -2.064 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCC2CC2)C1 ZINC001320111144 916468050 /nfs/dbraw/zinc/46/80/50/916468050.db2.gz LZSQZIIGUCCQRV-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)NC(CO)CO ZINC001320192326 916473126 /nfs/dbraw/zinc/47/31/26/916473126.db2.gz WMXMVLBMYXFEMF-UHFFFAOYSA-N 1 1 305.294 -1.325 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227793 916480099 /nfs/dbraw/zinc/48/00/99/916480099.db2.gz UYPHJMPCPOYILJ-WDEREUQCSA-N 1 1 323.353 -1.786 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001320227788 916480611 /nfs/dbraw/zinc/48/06/11/916480611.db2.gz UYPHJMPCPOYILJ-MNOVXSKESA-N 1 1 323.353 -1.786 20 0 DAADMO CCNC(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001320217869 916480996 /nfs/dbraw/zinc/48/09/96/916480996.db2.gz SMERVGZEEGMDAV-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO O=C(CCc1cnc[nH]1)NC[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001320227785 916481098 /nfs/dbraw/zinc/48/10/98/916481098.db2.gz UYPHJMPCPOYILJ-GHMZBOCLSA-N 1 1 323.353 -1.786 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]CCn1cncn1)c1[nH]nc2c1CCC2 ZINC001320241776 916483560 /nfs/dbraw/zinc/48/35/60/916483560.db2.gz IBNFUJYQJAFDJB-JTQLQIEISA-N 1 1 319.369 -1.130 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)c1cnn2cccnc12 ZINC001320257938 916486535 /nfs/dbraw/zinc/48/65/35/916486535.db2.gz JRMOBMCLUAPNQW-SNVBAGLBSA-N 1 1 317.309 -1.007 20 0 DAADMO C[C@@H](O)CCC[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001320271086 916491557 /nfs/dbraw/zinc/49/15/57/916491557.db2.gz QVHGZGVBWFXTSY-NXEZZACHSA-N 1 1 300.359 -1.033 20 0 DAADMO COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(OCC(N)=O)CC2)C1 ZINC001320263846 916491781 /nfs/dbraw/zinc/49/17/81/916491781.db2.gz AVBHVLYOILYKCM-SNVBAGLBSA-N 1 1 313.354 -1.068 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001320271448 916491809 /nfs/dbraw/zinc/49/18/09/916491809.db2.gz BWSDVHAJHXBSSE-TVQRCGJNSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CCNC2=O)n1 ZINC001320272712 916494800 /nfs/dbraw/zinc/49/48/00/916494800.db2.gz JANXPYDCOMKRGP-GWCFXTLKSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001320293007 916498304 /nfs/dbraw/zinc/49/83/04/916498304.db2.gz OSNFANLRYCZUFW-JTQLQIEISA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC(=O)NC2=O)nn1 ZINC001320316538 916504225 /nfs/dbraw/zinc/50/42/25/916504225.db2.gz JQVMWSSMIBAYOJ-WPRPVWTQSA-N 1 1 324.341 -2.565 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001320405141 916507621 /nfs/dbraw/zinc/50/76/21/916507621.db2.gz CEQYXMSWXUBZAO-SECBINFHSA-N 1 1 312.378 -1.486 20 0 DAADMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cn1 ZINC001320681671 916524482 /nfs/dbraw/zinc/52/44/82/916524482.db2.gz ZUZHJLHVXJLMBX-NSHDSACASA-N 1 1 319.321 -1.016 20 0 DAADMO CCN(CC[NH2+]Cc1cn(CC)nn1)C(=O)Cn1ncnn1 ZINC001320737728 916528739 /nfs/dbraw/zinc/52/87/39/916528739.db2.gz MQXKEULDFPMRLW-UHFFFAOYSA-N 1 1 307.362 -1.077 20 0 DAADMO CC1(C)CN(C(=O)CC[C@H]2NC(=O)NC2=O)CC[N@H+]1CCO ZINC001320833912 916531002 /nfs/dbraw/zinc/53/10/02/916531002.db2.gz URXCTAGTVKOGFQ-SNVBAGLBSA-N 1 1 312.370 -1.110 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1CC)C(=O)[C@H]1CNC(=O)N1 ZINC001320832169 916531225 /nfs/dbraw/zinc/53/12/25/916531225.db2.gz RAGTTWIBDWUTTB-SNVBAGLBSA-N 1 1 309.374 -1.083 20 0 DAADMO CCN(CC[NH2+]Cc1nnnn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001320830047 916531437 /nfs/dbraw/zinc/53/14/37/916531437.db2.gz LKPWFYREIGEMTJ-UHFFFAOYSA-N 1 1 308.346 -1.099 20 0 DAADMO Cn1cc(C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001320966932 916535697 /nfs/dbraw/zinc/53/56/97/916535697.db2.gz UWCXCECZOZMFKZ-ONEGZZNKSA-N 1 1 305.342 -1.082 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC001320991532 916536152 /nfs/dbraw/zinc/53/61/52/916536152.db2.gz BAVLCRFBDLZZRN-CQSZACIVSA-N 1 1 323.353 -1.009 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC001320991532 916536164 /nfs/dbraw/zinc/53/61/64/916536164.db2.gz BAVLCRFBDLZZRN-CQSZACIVSA-N 1 1 323.353 -1.009 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c(=O)n(C)c1=O ZINC001320963097 916537020 /nfs/dbraw/zinc/53/70/20/916537020.db2.gz HEZLNLBAGKNNHW-AWEZNQCLSA-N 1 1 321.337 -1.742 20 0 DAADMO COC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001320986334 916537479 /nfs/dbraw/zinc/53/74/79/916537479.db2.gz NMXAJTHJPODIRD-ARJAWSKDSA-N 1 1 312.330 -1.774 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009102 916540296 /nfs/dbraw/zinc/54/02/96/916540296.db2.gz UZOBCJCURYYPKV-NEPJUHHUSA-N 1 1 318.370 -1.379 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009102 916540309 /nfs/dbraw/zinc/54/03/09/916540309.db2.gz UZOBCJCURYYPKV-NEPJUHHUSA-N 1 1 318.370 -1.379 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009103 916540664 /nfs/dbraw/zinc/54/06/64/916540664.db2.gz UZOBCJCURYYPKV-NWDGAFQWSA-N 1 1 318.370 -1.379 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC001321009103 916540676 /nfs/dbraw/zinc/54/06/76/916540676.db2.gz UZOBCJCURYYPKV-NWDGAFQWSA-N 1 1 318.370 -1.379 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)CN2CCOCC2)nc1=O ZINC001321028665 916541657 /nfs/dbraw/zinc/54/16/57/916541657.db2.gz FKRHJSBYAKIYTP-NSCUHMNNSA-N 1 1 324.385 -1.797 20 0 DAADMO Cn1nnnc1CNC/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321011877 916542370 /nfs/dbraw/zinc/54/23/70/916542370.db2.gz QBCXVXANXKATQO-UFFNRZRYSA-N 1 1 309.374 -1.697 20 0 DAADMO Cn1nnnc1CNC/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321011877 916542389 /nfs/dbraw/zinc/54/23/89/916542389.db2.gz QBCXVXANXKATQO-UFFNRZRYSA-N 1 1 309.374 -1.697 20 0 DAADMO CCn1cc(C[NH2+]CC=CCNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001321219223 916556386 /nfs/dbraw/zinc/55/63/86/916556386.db2.gz DTTYQWGUDGLJAW-BYCRGOAPSA-N 1 1 307.358 -1.259 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)c2ccncn2)nc1=O ZINC001321300480 916563306 /nfs/dbraw/zinc/56/33/06/916563306.db2.gz JBLXQQWTLBGVNT-NSCUHMNNSA-N 1 1 303.326 -1.026 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)c2ccncn2)nc1=O ZINC001321300479 916564288 /nfs/dbraw/zinc/56/42/88/916564288.db2.gz JBLXQQWTLBGVNT-IHWYPQMZSA-N 1 1 303.326 -1.026 20 0 DAADMO COc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1C ZINC001321360238 916570668 /nfs/dbraw/zinc/57/06/68/916570668.db2.gz PFTFDCGQNSPOPF-ZDUSSCGKSA-N 1 1 311.342 -1.450 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC001321510235 916575798 /nfs/dbraw/zinc/57/57/98/916575798.db2.gz VYBGGJVDNACBBT-QWHCGFSZSA-N 1 1 312.414 -1.421 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC001321510233 916577197 /nfs/dbraw/zinc/57/71/97/916577197.db2.gz VYBGGJVDNACBBT-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCNS(C)(=O)=O ZINC001321732505 916594233 /nfs/dbraw/zinc/59/42/33/916594233.db2.gz FEBHPMBSKKQXKF-SNVBAGLBSA-N 1 1 307.420 -1.919 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001321802907 916596676 /nfs/dbraw/zinc/59/66/76/916596676.db2.gz XOVXTHDLDYNBPL-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CO)CC1 ZINC001321847642 916599148 /nfs/dbraw/zinc/59/91/48/916599148.db2.gz CAZJXUUUMBEXBV-CYBMUJFWSA-N 1 1 312.414 -1.421 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001321891900 916607288 /nfs/dbraw/zinc/60/72/88/916607288.db2.gz BKFQSOAWAFQRKP-WDEREUQCSA-N 1 1 315.370 -1.109 20 0 DAADMO COC(=O)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001321891900 916607299 /nfs/dbraw/zinc/60/72/99/916607299.db2.gz BKFQSOAWAFQRKP-WDEREUQCSA-N 1 1 315.370 -1.109 20 0 DAADMO CS(=O)(=O)CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001321957021 916610046 /nfs/dbraw/zinc/61/00/46/916610046.db2.gz CYPBECRLXBUHOT-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001321987152 916611899 /nfs/dbraw/zinc/61/18/99/916611899.db2.gz FKAOFOHQBVXPFC-KVSVUVNWSA-N 1 1 309.366 -1.273 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001321987146 916612221 /nfs/dbraw/zinc/61/22/21/916612221.db2.gz FKAOFOHQBVXPFC-FHUSYTEZSA-N 1 1 309.366 -1.273 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCn2cnnc2C1 ZINC001321975401 916612685 /nfs/dbraw/zinc/61/26/85/916612685.db2.gz POUBGEJBHBXRCS-UHFFFAOYSA-N 1 1 303.326 -1.058 20 0 DAADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCS(=O)(=O)NC ZINC001322033500 916615275 /nfs/dbraw/zinc/61/52/75/916615275.db2.gz MGYAHMYXPDQYNO-UHFFFAOYSA-N 1 1 322.431 -1.500 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCO)CC1 ZINC001322053533 916615485 /nfs/dbraw/zinc/61/54/85/916615485.db2.gz RHPWQAWHVJZMTF-UHFFFAOYSA-N 1 1 300.403 -1.421 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322069215 916615683 /nfs/dbraw/zinc/61/56/83/916615683.db2.gz JNKWPGIFNYCJDZ-JTQLQIEISA-N 1 1 320.353 -1.035 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001322170203 916622661 /nfs/dbraw/zinc/62/26/61/916622661.db2.gz VUXPFEQPSRVORH-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO NC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001322179494 916623955 /nfs/dbraw/zinc/62/39/55/916623955.db2.gz XPLQRORDAXRBBW-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC001322220304 916626290 /nfs/dbraw/zinc/62/62/90/916626290.db2.gz RSWBUSKCSCPLRZ-UHFFFAOYSA-N 1 1 316.383 -1.189 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](n2cncn2)C1 ZINC001322240140 916627692 /nfs/dbraw/zinc/62/76/92/916627692.db2.gz AUVAOERPINDQCO-LBPRGKRZSA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001322218006 916627717 /nfs/dbraw/zinc/62/77/17/916627717.db2.gz IZDSXLPJRPQJJK-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001322218006 916627722 /nfs/dbraw/zinc/62/77/22/916627722.db2.gz IZDSXLPJRPQJJK-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCn1cnnn1 ZINC001322267949 916630213 /nfs/dbraw/zinc/63/02/13/916630213.db2.gz AJFIUJOQLLNQJW-UWVGGRQHSA-N 1 1 323.357 -1.695 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CCn1cnnn1 ZINC001322267954 916630738 /nfs/dbraw/zinc/63/07/38/916630738.db2.gz AJFIUJOQLLNQJW-VHSXEESVSA-N 1 1 323.357 -1.695 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC001322488027 916635894 /nfs/dbraw/zinc/63/58/94/916635894.db2.gz MHPVSXKKPXPBLC-JQWIXIFHSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001322488025 916636069 /nfs/dbraw/zinc/63/60/69/916636069.db2.gz MHPVSXKKPXPBLC-CMPLNLGQSA-N 1 1 321.381 -1.425 20 0 DAADMO O=C(NCCn1cncn1)C(=O)NCC[NH+]1CCSCC1 ZINC001322504765 916639704 /nfs/dbraw/zinc/63/97/04/916639704.db2.gz PFIZKKAEDTTYPG-UHFFFAOYSA-N 1 1 312.399 -1.441 20 0 DAADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322563282 916644865 /nfs/dbraw/zinc/64/48/65/916644865.db2.gz RUNNYTITFFMDQS-LLVKDONJSA-N 1 1 311.386 -1.368 20 0 DAADMO C[S@](=O)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001322598085 916648327 /nfs/dbraw/zinc/64/83/27/916648327.db2.gz OVTCQZJDULGDAO-BJFPOWJFSA-N 1 1 317.411 -1.540 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C)C1=O ZINC001322608714 916651418 /nfs/dbraw/zinc/65/14/18/916651418.db2.gz PBCJODPBQUTXEP-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC1CN(C(=O)OC)C1 ZINC001322606456 916652166 /nfs/dbraw/zinc/65/21/66/916652166.db2.gz ATAGCRYQJMLKNF-UHFFFAOYSA-N 1 1 316.358 -1.752 20 0 DAADMO CCN(CCCO)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001322759725 916663160 /nfs/dbraw/zinc/66/31/60/916663160.db2.gz GSBAWYJYJWYEGD-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO Cc1c(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cnn1C ZINC001322898016 916676901 /nfs/dbraw/zinc/67/69/01/916676901.db2.gz HEMNHAHHOCLTFX-CYBMUJFWSA-N 1 1 322.413 -1.293 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nnn(C)n1 ZINC001322940693 916678496 /nfs/dbraw/zinc/67/84/96/916678496.db2.gz OXXIFOPUAZCQCX-JTQLQIEISA-N 1 1 309.374 -1.374 20 0 DAADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nnn(C)n1 ZINC001322940694 916679240 /nfs/dbraw/zinc/67/92/40/916679240.db2.gz OXXIFOPUAZCQCX-SNVBAGLBSA-N 1 1 309.374 -1.374 20 0 DAADMO C[C@H](CO)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001322961238 916681210 /nfs/dbraw/zinc/68/12/10/916681210.db2.gz DSFWCKIZJXSJJH-QWHCGFSZSA-N 1 1 314.430 -1.127 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001322955640 916682972 /nfs/dbraw/zinc/68/29/72/916682972.db2.gz NZEIZRQKDDYZMC-UWVGGRQHSA-N 1 1 323.357 -2.194 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001323009927 916685021 /nfs/dbraw/zinc/68/50/21/916685021.db2.gz SMIXRTUPOHEUFW-NSHDSACASA-N 1 1 324.381 -1.148 20 0 DAADMO CN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1=O ZINC001323194779 916698677 /nfs/dbraw/zinc/69/86/77/916698677.db2.gz TZTOKZKRFYTYJO-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001323246458 916705560 /nfs/dbraw/zinc/70/55/60/916705560.db2.gz NEKLCYYDVMBVQP-LBPRGKRZSA-N 1 1 315.370 -1.955 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001323246458 916705575 /nfs/dbraw/zinc/70/55/75/916705575.db2.gz NEKLCYYDVMBVQP-LBPRGKRZSA-N 1 1 315.370 -1.955 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001323266649 916707382 /nfs/dbraw/zinc/70/73/82/916707382.db2.gz FWXRXAOQDGYTSH-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001323266648 916707408 /nfs/dbraw/zinc/70/74/08/916707408.db2.gz FWXRXAOQDGYTSH-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001323316944 916710931 /nfs/dbraw/zinc/71/09/31/916710931.db2.gz BXGCMHVLLIHWCA-MNOVXSKESA-N 1 1 313.354 -1.763 20 0 DAADMO C[C@@H](Cn1ccnc1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001323299088 916711687 /nfs/dbraw/zinc/71/16/87/916711687.db2.gz SAXRRISQJNWZKH-STQMWFEESA-N 1 1 322.413 -1.250 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCOC1)CN1CC[NH+](C)CC1 ZINC001323334108 916713830 /nfs/dbraw/zinc/71/38/30/916713830.db2.gz UKCHIFUXBWXTNH-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2nnnn2C2CC2)C1 ZINC001323336953 916715076 /nfs/dbraw/zinc/71/50/76/916715076.db2.gz QHXHYJDNBZLKAE-VIFPVBQESA-N 1 1 307.358 -1.165 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC001323355405 916716532 /nfs/dbraw/zinc/71/65/32/916716532.db2.gz OALLCKRJRWNSRC-WCQYABFASA-N 1 1 322.413 -1.041 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001323370946 916716846 /nfs/dbraw/zinc/71/68/46/916716846.db2.gz IJQBOAFWZUVOBH-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001323370946 916716858 /nfs/dbraw/zinc/71/68/58/916716858.db2.gz IJQBOAFWZUVOBH-GHMZBOCLSA-N 1 1 313.354 -1.761 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001323370399 916717145 /nfs/dbraw/zinc/71/71/45/916717145.db2.gz GMNZXIBFOZGWLQ-QWRGUYRKSA-N 1 1 320.353 -1.479 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001323370399 916717163 /nfs/dbraw/zinc/71/71/63/916717163.db2.gz GMNZXIBFOZGWLQ-QWRGUYRKSA-N 1 1 320.353 -1.479 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC001323390704 916720844 /nfs/dbraw/zinc/72/08/44/916720844.db2.gz IWAMIIIIVGGYRJ-NWDGAFQWSA-N 1 1 314.386 -2.120 20 0 DAADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC001323423783 916721054 /nfs/dbraw/zinc/72/10/54/916721054.db2.gz ARGZAMRSSSVODR-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001323424416 916721603 /nfs/dbraw/zinc/72/16/03/916721603.db2.gz IJKXBFKONFVFGQ-NXEZZACHSA-N 1 1 305.400 -1.254 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[nH]n1 ZINC001323400286 916721879 /nfs/dbraw/zinc/72/18/79/916721879.db2.gz OTGFOAHYUIVOFW-CYBMUJFWSA-N 1 1 322.413 -1.050 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001323400286 916721889 /nfs/dbraw/zinc/72/18/89/916721889.db2.gz OTGFOAHYUIVOFW-CYBMUJFWSA-N 1 1 322.413 -1.050 20 0 DAADMO CCc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001323400286 916721902 /nfs/dbraw/zinc/72/19/02/916721902.db2.gz OTGFOAHYUIVOFW-CYBMUJFWSA-N 1 1 322.413 -1.050 20 0 DAADMO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001323487284 916726833 /nfs/dbraw/zinc/72/68/33/916726833.db2.gz RQYUEUPQTMKFMZ-WSVYEEACSA-N 1 1 319.427 -1.292 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)C(N)=O)CC1)C(=O)Nc1ncccn1 ZINC001323530007 916729233 /nfs/dbraw/zinc/72/92/33/916729233.db2.gz HCQAMTAHIJCJQI-MRVPVSSYSA-N 1 1 306.326 -1.473 20 0 DAADMO O=C(NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1)c1ncn[nH]1 ZINC001323579582 916732706 /nfs/dbraw/zinc/73/27/06/916732706.db2.gz IYMUOBWTCZYQLX-UHFFFAOYSA-N 1 1 321.341 -1.401 20 0 DAADMO O=C(NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1)c1nc[nH]n1 ZINC001323579582 916732715 /nfs/dbraw/zinc/73/27/15/916732715.db2.gz IYMUOBWTCZYQLX-UHFFFAOYSA-N 1 1 321.341 -1.401 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@H]1C[N@H+](C)CCO1 ZINC001323570905 916733998 /nfs/dbraw/zinc/73/39/98/916733998.db2.gz VHUAJFLVYWTNPV-WDMOLILDSA-N 1 1 317.361 -1.245 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CC[C@@](F)(CO)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001323570905 916734010 /nfs/dbraw/zinc/73/40/10/916734010.db2.gz VHUAJFLVYWTNPV-WDMOLILDSA-N 1 1 317.361 -1.245 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323811106 916750344 /nfs/dbraw/zinc/75/03/44/916750344.db2.gz ANNIGGSBJINMFD-CYBMUJFWSA-N 1 1 311.342 -2.019 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001323811106 916750353 /nfs/dbraw/zinc/75/03/53/916750353.db2.gz ANNIGGSBJINMFD-CYBMUJFWSA-N 1 1 311.342 -2.019 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001323864859 916752547 /nfs/dbraw/zinc/75/25/47/916752547.db2.gz ZVRBURJHRVNYDQ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCNC(=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001323864859 916752560 /nfs/dbraw/zinc/75/25/60/916752560.db2.gz ZVRBURJHRVNYDQ-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C(=O)C(C)(C)C(N)=O)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001323945806 916759338 /nfs/dbraw/zinc/75/93/38/916759338.db2.gz IFUDQRHXDCGALE-LBPRGKRZSA-N 1 1 323.397 -1.102 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)C1CC1 ZINC001323989534 916762564 /nfs/dbraw/zinc/76/25/64/916762564.db2.gz IALLOEHSCGUZAR-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC001324183987 916769181 /nfs/dbraw/zinc/76/91/81/916769181.db2.gz JTCHLQWSQQHLLP-UHFFFAOYSA-N 1 1 306.326 -1.380 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ncn(C)n2)C1 ZINC001324442563 916782179 /nfs/dbraw/zinc/78/21/79/916782179.db2.gz MDGFYDSBWSUYKG-GHMZBOCLSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001324462487 916783920 /nfs/dbraw/zinc/78/39/20/916783920.db2.gz YITZEEQYDVDYEG-SCVCMEIPSA-N 1 1 308.382 -1.068 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)nn1 ZINC001324566513 916789076 /nfs/dbraw/zinc/78/90/76/916789076.db2.gz QKEIICIPNYFCDK-NSHDSACASA-N 1 1 324.385 -1.270 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001324568751 916789359 /nfs/dbraw/zinc/78/93/59/916789359.db2.gz MRRQWLHBUXZYLC-VIFPVBQESA-N 1 1 311.342 -2.135 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCCN1C(=O)CCC1=O)C1CC1 ZINC001324613326 916790372 /nfs/dbraw/zinc/79/03/72/916790372.db2.gz AAPZBDKNJWWVKB-UHFFFAOYSA-N 1 1 324.381 -1.148 20 0 DAADMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H](CO)NC(N)=O)CCCO1 ZINC001324623826 916790473 /nfs/dbraw/zinc/79/04/73/916790473.db2.gz KIYDSJDKRQNLPG-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cccnn1)[C@H]1C[N@H+](C)CCO1 ZINC001324693985 916794017 /nfs/dbraw/zinc/79/40/17/916794017.db2.gz LCEBNPARJMQUIP-ZYHUDNBSSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1cccnn1)[C@H]1C[N@@H+](C)CCO1 ZINC001324693985 916794030 /nfs/dbraw/zinc/79/40/30/916794030.db2.gz LCEBNPARJMQUIP-ZYHUDNBSSA-N 1 1 307.354 -1.072 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)CC(N)=O)CCOCC1 ZINC001324993457 916804495 /nfs/dbraw/zinc/80/44/95/916804495.db2.gz TZJLRRADRQFGOJ-UHFFFAOYSA-N 1 1 310.358 -1.555 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC(N)=O)C1 ZINC001325040916 916806179 /nfs/dbraw/zinc/80/61/79/916806179.db2.gz BLNLALXQGASGPU-UWVGGRQHSA-N 1 1 323.340 -1.058 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001325087119 916812842 /nfs/dbraw/zinc/81/28/42/916812842.db2.gz SLJQGPMHTOFDEA-ZFWWWQNUSA-N 1 1 315.414 -1.094 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001325087117 916814084 /nfs/dbraw/zinc/81/40/84/916814084.db2.gz SLJQGPMHTOFDEA-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001325086547 916814222 /nfs/dbraw/zinc/81/42/22/916814222.db2.gz QGTWNFUGQBQPTE-YGRLFVJLSA-N 1 1 322.369 -1.806 20 0 DAADMO CCNC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](O)COC)C1 ZINC001325081332 916814733 /nfs/dbraw/zinc/81/47/33/916814733.db2.gz HNZZXFYHSVGJFA-BXUZGUMPSA-N 1 1 317.386 -1.927 20 0 DAADMO NC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001325087102 916814905 /nfs/dbraw/zinc/81/49/05/916814905.db2.gz SGNZHBPPLYQXSO-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@H]3CCNC3=O)C2)cn1 ZINC001325113997 916816686 /nfs/dbraw/zinc/81/66/86/916816686.db2.gz JHTGQWCYEJQJDR-WFASDCNBSA-N 1 1 321.381 -1.391 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001325125767 916817180 /nfs/dbraw/zinc/81/71/80/916817180.db2.gz IRLBVYCOMHVKOS-NOZJJQNGSA-N 1 1 300.359 -1.931 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112913 916818365 /nfs/dbraw/zinc/81/83/65/916818365.db2.gz DBVUYIVLSUVRFP-YMTOWFKASA-N 1 1 322.321 -1.354 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnco1 ZINC001325112913 916818381 /nfs/dbraw/zinc/81/83/81/916818381.db2.gz DBVUYIVLSUVRFP-YMTOWFKASA-N 1 1 322.321 -1.354 20 0 DAADMO CN(C)c1cc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)ccn1 ZINC001325125362 916818409 /nfs/dbraw/zinc/81/84/09/916818409.db2.gz DOGMYXKCYSWFAQ-OAHLLOKOSA-N 1 1 321.381 -1.314 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)[C@H]1CNC(=O)N1 ZINC001325122760 916818985 /nfs/dbraw/zinc/81/89/85/916818985.db2.gz IPQOBNHKWHQTIY-ZWNOBZJWSA-N 1 1 316.358 -2.770 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001325158072 916824805 /nfs/dbraw/zinc/82/48/05/916824805.db2.gz ADIXUAZWNWOVFQ-ZDUSSCGKSA-N 1 1 316.333 -1.549 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001325158070 916826746 /nfs/dbraw/zinc/82/67/46/916826746.db2.gz ADIXUAZWNWOVFQ-CYBMUJFWSA-N 1 1 316.333 -1.549 20 0 DAADMO C[C@H](Cn1cccn1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001325302008 916841665 /nfs/dbraw/zinc/84/16/65/916841665.db2.gz ZZISPUMOYIUOIU-CHWSQXEVSA-N 1 1 322.413 -1.250 20 0 DAADMO CN(C)c1ncncc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001325495657 916848983 /nfs/dbraw/zinc/84/89/83/916848983.db2.gz YMMKIQIJZNKKLH-CQSZACIVSA-N 1 1 322.369 -1.336 20 0 DAADMO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001325652587 916856603 /nfs/dbraw/zinc/85/66/03/916856603.db2.gz POWLCSOAGLBYNR-PWSUYJOCSA-N 1 1 324.381 -1.700 20 0 DAADMO Cn1nnc(CNC2CC[NH+](CCNC(=O)C(N)=O)CC2)n1 ZINC001325805743 916862444 /nfs/dbraw/zinc/86/24/44/916862444.db2.gz LCKZSQRQACEROY-UHFFFAOYSA-N 1 1 310.362 -2.634 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCCOC)C[C@@H]2C1 ZINC001325779794 916862617 /nfs/dbraw/zinc/86/26/17/916862617.db2.gz TZHXXAGQIJPXSS-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCOCCO)C1)c1ccn[nH]1 ZINC001325817200 916866408 /nfs/dbraw/zinc/86/64/08/916866408.db2.gz BQLPLFHYCXUXQK-AWEZNQCLSA-N 1 1 312.370 -1.025 20 0 DAADMO O=C(NCC1CC1)C(=O)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001325862256 916869560 /nfs/dbraw/zinc/86/95/60/916869560.db2.gz YANAJBLQBDTSRT-HNNXBMFYSA-N 1 1 313.398 -1.162 20 0 DAADMO Cc1cnn(CC(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)c1 ZINC001325984477 916876808 /nfs/dbraw/zinc/87/68/08/916876808.db2.gz QXCKMXSFRJSPNF-UHFFFAOYSA-N 1 1 321.385 -1.069 20 0 DAADMO Cn1cc(CC(=O)N(CCO)CC[NH2+]Cc2cn(C)nn2)cn1 ZINC001325990993 916881396 /nfs/dbraw/zinc/88/13/96/916881396.db2.gz WXSNYJOZPQMFIY-UHFFFAOYSA-N 1 1 321.385 -1.298 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cncnc1 ZINC001326008804 916884197 /nfs/dbraw/zinc/88/41/97/916884197.db2.gz BRLGLNSYJFTAAI-UHFFFAOYSA-N 1 1 305.342 -1.171 20 0 DAADMO CC(=O)N1CC(C(=O)N(CCO)CC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001326012907 916884462 /nfs/dbraw/zinc/88/44/62/916884462.db2.gz XTFMAMNZDWKZRZ-UHFFFAOYSA-N 1 1 324.385 -1.498 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001326077659 916891795 /nfs/dbraw/zinc/89/17/95/916891795.db2.gz DMBJYSLUPQQEMP-UHFFFAOYSA-N 1 1 300.359 -1.277 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)c1cn(C)c(=O)[nH]1 ZINC001326086396 916893475 /nfs/dbraw/zinc/89/34/75/916893475.db2.gz RBHIZDVFIONLEX-UHFFFAOYSA-N 1 1 323.357 -1.522 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC(=O)N2C)n1 ZINC001326081217 916894611 /nfs/dbraw/zinc/89/46/11/916894611.db2.gz VZBGOXVQVPBEJQ-CYBMUJFWSA-N 1 1 323.397 -1.049 20 0 DAADMO Cc1ccnc(C[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)n1 ZINC001326085623 916896293 /nfs/dbraw/zinc/89/62/93/916896293.db2.gz GYFRAKMFNBECHA-UHFFFAOYSA-N 1 1 321.381 -1.039 20 0 DAADMO Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)n1 ZINC001326079559 916896401 /nfs/dbraw/zinc/89/64/01/916896401.db2.gz JFEHTAAYWXBYGH-LLVKDONJSA-N 1 1 310.358 -1.988 20 0 DAADMO Cc1nc(C[NH2+]CCN(CCO)C(=O)[C@H]2CNC(=O)N2)co1 ZINC001326079783 916896443 /nfs/dbraw/zinc/89/64/43/916896443.db2.gz KYZXXIINLAARPE-LLVKDONJSA-N 1 1 311.342 -1.425 20 0 DAADMO CNC(=O)C1(C(=O)N(CCO)CC[NH2+]Cc2cnn(C)n2)CC1 ZINC001326107439 916900157 /nfs/dbraw/zinc/90/01/57/916900157.db2.gz MBABBHZFESSCOF-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(CCO)CCNCc1nncn1C ZINC001326148573 916901988 /nfs/dbraw/zinc/90/19/88/916901988.db2.gz OTVOAWCOMHJSSJ-UHFFFAOYSA-N 1 1 321.385 -1.069 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001326133255 916902039 /nfs/dbraw/zinc/90/20/39/916902039.db2.gz PNCQZSQAYNCLSD-UHFFFAOYSA-N 1 1 322.373 -1.605 20 0 DAADMO Cc1ccnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001326135497 916902317 /nfs/dbraw/zinc/90/23/17/916902317.db2.gz XCJVOTBZNPXBKD-LBPRGKRZSA-N 1 1 321.381 -1.026 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCCN2CCOCC2)CC1 ZINC001326145944 916902942 /nfs/dbraw/zinc/90/29/42/916902942.db2.gz GPQVVRVGCOMXJU-OAHLLOKOSA-N 1 1 300.447 -1.093 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cncn1)[C@@H]1C[N@H+](C)CCO1 ZINC001326449506 916920929 /nfs/dbraw/zinc/92/09/29/916920929.db2.gz NWGAKVGAMCXSMN-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCn1cncn1)[C@@H]1C[N@@H+](C)CCO1 ZINC001326449506 916920938 /nfs/dbraw/zinc/92/09/38/916920938.db2.gz NWGAKVGAMCXSMN-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1=O ZINC001326521786 916926853 /nfs/dbraw/zinc/92/68/53/916926853.db2.gz JTNQSYZPVUPIGP-JTQLQIEISA-N 1 1 314.411 -1.502 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)[C@H]1CN(C)CCO1 ZINC001326600436 916933293 /nfs/dbraw/zinc/93/32/93/916933293.db2.gz WWZLLKZVUBOQOV-SOUVJXGZSA-N 1 1 300.447 -1.097 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC001326600437 916933828 /nfs/dbraw/zinc/93/38/28/916933828.db2.gz WWZLLKZVUBOQOV-ZNMIVQPWSA-N 1 1 300.447 -1.097 20 0 DAADMO CCOC[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001326598372 916933919 /nfs/dbraw/zinc/93/39/19/916933919.db2.gz YKJJARNFIIKHES-RYUDHWBXSA-N 1 1 300.403 -1.110 20 0 DAADMO CCON(C)C(=O)CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001326679023 916947584 /nfs/dbraw/zinc/94/75/84/916947584.db2.gz YKVNXRNWLQZETN-UHFFFAOYSA-N 1 1 300.359 -1.277 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326729301 916951807 /nfs/dbraw/zinc/95/18/07/916951807.db2.gz AOIYNKXFDCQAEA-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326729302 916952081 /nfs/dbraw/zinc/95/20/81/916952081.db2.gz AOIYNKXFDCQAEA-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326729300 916952614 /nfs/dbraw/zinc/95/26/14/916952614.db2.gz AOIYNKXFDCQAEA-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)C[NH+]1CCOCC1 ZINC001326801690 916957992 /nfs/dbraw/zinc/95/79/92/916957992.db2.gz PIYFCHLLEDTQTI-NDBYEHHHSA-N 1 1 311.382 -1.168 20 0 DAADMO CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCNC1=O ZINC001326823013 916960269 /nfs/dbraw/zinc/96/02/69/916960269.db2.gz NEOGMBMUNFNKBD-HBNTYKKESA-N 1 1 310.354 -2.389 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@H]2C[C@@]2(CO)C1 ZINC001326820158 916960435 /nfs/dbraw/zinc/96/04/35/916960435.db2.gz BQETXEXDOCFMQH-ZAZJYDDPSA-N 1 1 309.366 -1.895 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326860642 916963366 /nfs/dbraw/zinc/96/33/66/916963366.db2.gz ATENWXZXBOUMKP-QWHCGFSZSA-N 1 1 321.381 -1.344 20 0 DAADMO CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001326872992 916964467 /nfs/dbraw/zinc/96/44/67/916964467.db2.gz ICNQQFZWMGDACC-RWMBFGLXSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC001326877974 916964794 /nfs/dbraw/zinc/96/47/94/916964794.db2.gz XTRGWCUIMDVVMO-WUHRBBMRSA-N 1 1 310.398 -1.541 20 0 DAADMO Cn1ccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001326866846 916965543 /nfs/dbraw/zinc/96/55/43/916965543.db2.gz DVNVPAAZTCRMAU-NWDGAFQWSA-N 1 1 307.354 -1.686 20 0 DAADMO COC[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)OC ZINC001326887703 916968666 /nfs/dbraw/zinc/96/86/66/916968666.db2.gz FZHDRWUOIAWQSX-QJPTWQEYSA-N 1 1 315.370 -1.959 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001327015452 916980337 /nfs/dbraw/zinc/98/03/37/916980337.db2.gz BGEOYHYOMWZQJP-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC001327055841 916986304 /nfs/dbraw/zinc/98/63/04/916986304.db2.gz OHIPRLMNBHZZGP-ZDUSSCGKSA-N 1 1 313.446 -1.016 20 0 DAADMO CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327098123 916988229 /nfs/dbraw/zinc/98/82/29/916988229.db2.gz KUVBFHKYOPNZRV-WDEREUQCSA-N 1 1 322.369 -1.503 20 0 DAADMO CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327098123 916988244 /nfs/dbraw/zinc/98/82/44/916988244.db2.gz KUVBFHKYOPNZRV-WDEREUQCSA-N 1 1 322.369 -1.503 20 0 DAADMO CN(C[C@H]1CCOC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327176958 916992756 /nfs/dbraw/zinc/99/27/56/916992756.db2.gz MTXRRQRXGBVWDL-FRRDWIJNSA-N 1 1 311.382 -1.241 20 0 DAADMO COC(=O)[C@H]1CNCCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC001327120249 916993729 /nfs/dbraw/zinc/99/37/29/916993729.db2.gz DEXGGCFWXCFFRO-GFCCVEGCSA-N 1 1 324.385 -1.006 20 0 DAADMO CCN(CCO)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001327243894 916997996 /nfs/dbraw/zinc/99/79/96/916997996.db2.gz REEDYADPCXEJGU-CYBMUJFWSA-N 1 1 313.398 -1.115 20 0 DAADMO COCC[N@@H+](C)CCCN(C)C(=O)CN1C(=O)CNC1=O ZINC001327285863 917001334 /nfs/dbraw/zinc/00/13/34/917001334.db2.gz QVLGWFZGZDZICM-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001327315033 917004392 /nfs/dbraw/zinc/00/43/92/917004392.db2.gz USYZBCJUAOODMU-AAEUAGOBSA-N 1 1 313.398 -1.117 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC(N)=O)O2 ZINC001327350579 917005501 /nfs/dbraw/zinc/00/55/01/917005501.db2.gz UNSVURNQUBASGT-MNOVXSKESA-N 1 1 315.370 -1.781 20 0 DAADMO COC[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)OC ZINC001327386764 917008443 /nfs/dbraw/zinc/00/84/43/917008443.db2.gz FUZCFVOSVVKPMP-RYUDHWBXSA-N 1 1 316.402 -1.874 20 0 DAADMO COC[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)OC ZINC001327386756 917009781 /nfs/dbraw/zinc/00/97/81/917009781.db2.gz FUZCFVOSVVKPMP-NEPJUHHUSA-N 1 1 316.402 -1.874 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])S(C)(=O)=O ZINC001327485200 917016309 /nfs/dbraw/zinc/01/63/09/917016309.db2.gz JNNFNLLEGKJWTD-ZCFIWIBFSA-N 1 1 301.315 -1.754 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC001327532270 917022910 /nfs/dbraw/zinc/02/29/10/917022910.db2.gz KSPCQNBNXPGZTJ-MXWKQRLJSA-N 1 1 317.411 -1.111 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC(C)(F)C2)CC1 ZINC001327543351 917025461 /nfs/dbraw/zinc/02/54/61/917025461.db2.gz RDDYEWKCYUEYES-UHFFFAOYSA-N 1 1 314.361 -1.117 20 0 DAADMO O=C(NCCN1C(=O)CNC1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327608759 917031975 /nfs/dbraw/zinc/03/19/75/917031975.db2.gz RWBZUOHDGSQVMH-VHSXEESVSA-N 1 1 311.342 -2.001 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001327663284 917034668 /nfs/dbraw/zinc/03/46/68/917034668.db2.gz VAQAMIGOBCQLTE-YPMHNXCESA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001327708553 917036936 /nfs/dbraw/zinc/03/69/36/917036936.db2.gz YSOXHUJVEAGNCV-FVCCEPFGSA-N 1 1 310.398 -1.541 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC001327735934 917039757 /nfs/dbraw/zinc/03/97/57/917039757.db2.gz ARQPLEURHBMDJZ-OUAUKWLOSA-N 1 1 310.354 -2.389 20 0 DAADMO Cc1noc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001327785052 917042475 /nfs/dbraw/zinc/04/24/75/917042475.db2.gz RKNBSWJALXCTKW-WDEREUQCSA-N 1 1 323.353 -1.026 20 0 DAADMO CCn1cc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC001327841660 917045895 /nfs/dbraw/zinc/04/58/95/917045895.db2.gz PWJYKKXPRLBSEL-UHFFFAOYSA-N 1 1 324.385 -1.247 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)C1CC1 ZINC001327823541 917046122 /nfs/dbraw/zinc/04/61/22/917046122.db2.gz RAZYEVIHUIUMPW-NSHDSACASA-N 1 1 309.370 -1.567 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CCNC1=O ZINC001328004105 917057004 /nfs/dbraw/zinc/05/70/04/917057004.db2.gz PDNVGVJJOCCDIU-MXWKQRLJSA-N 1 1 310.354 -2.030 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(O)(CO)CC1 ZINC001327986779 917057149 /nfs/dbraw/zinc/05/71/49/917057149.db2.gz KIHBPYSUBIVVHR-LLVKDONJSA-N 1 1 311.382 -1.315 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001328081538 917060852 /nfs/dbraw/zinc/06/08/52/917060852.db2.gz QKXUGJAXKVRIEX-SNVBAGLBSA-N 1 1 321.337 -1.429 20 0 DAADMO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H](C)[N@@H+]1CCO ZINC001328407390 917085415 /nfs/dbraw/zinc/08/54/15/917085415.db2.gz OMTAILMLVJYHAH-OUAUKWLOSA-N 1 1 312.370 -1.112 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)CCN2C(=O)CCNC2=S)C1 ZINC001328465822 917089896 /nfs/dbraw/zinc/08/98/96/917089896.db2.gz PQZKLXDUMSNSNA-ZDUSSCGKSA-N 1 1 314.411 -1.334 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001328520864 917092154 /nfs/dbraw/zinc/09/21/54/917092154.db2.gz XIKZBQAWNRISOY-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001328520912 917092994 /nfs/dbraw/zinc/09/29/94/917092994.db2.gz ZAXLRYZUVATTDC-SNVBAGLBSA-N 1 1 314.386 -1.718 20 0 DAADMO C[NH+](C)CCN(C(=O)C[C@H]1CC(=O)N1)[C@@H]1CCS(=O)(=O)C1 ZINC001328529953 917093505 /nfs/dbraw/zinc/09/35/05/917093505.db2.gz JANPWFRLDRIPKP-GHMZBOCLSA-N 1 1 317.411 -1.158 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 ZINC001328584385 917095661 /nfs/dbraw/zinc/09/56/61/917095661.db2.gz RPHBOWAMJMAVBY-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C)no2)C1 ZINC001328661828 917100497 /nfs/dbraw/zinc/10/04/97/917100497.db2.gz JZGRFTGZHJNVQK-JTQLQIEISA-N 1 1 311.342 -1.169 20 0 DAADMO CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001328815566 917111988 /nfs/dbraw/zinc/11/19/88/917111988.db2.gz HCIHVLAWEUHPPM-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cn(C)nn2)C1 ZINC001328908843 917121811 /nfs/dbraw/zinc/12/18/11/917121811.db2.gz ZGUBDEAZWACLBD-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001328911449 917122284 /nfs/dbraw/zinc/12/22/84/917122284.db2.gz KIGFQBLFVHSTCD-WUHRBBMRSA-N 1 1 311.382 -1.195 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001328976088 917127980 /nfs/dbraw/zinc/12/79/80/917127980.db2.gz XOKWCCJNZPNSME-GFCCVEGCSA-N 1 1 315.418 -2.299 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999778 917130816 /nfs/dbraw/zinc/13/08/16/917130816.db2.gz OHEJMDGIJXLXOZ-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999778 917130823 /nfs/dbraw/zinc/13/08/23/917130823.db2.gz OHEJMDGIJXLXOZ-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001328999778 917130834 /nfs/dbraw/zinc/13/08/34/917130834.db2.gz OHEJMDGIJXLXOZ-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001329030327 917133018 /nfs/dbraw/zinc/13/30/18/917133018.db2.gz PLYCLRPFKFNHMK-CMPLNLGQSA-N 1 1 324.385 -1.251 20 0 DAADMO CCn1cc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001329030327 917133022 /nfs/dbraw/zinc/13/30/22/917133022.db2.gz PLYCLRPFKFNHMK-CMPLNLGQSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCS1(=O)=O ZINC001329014072 917133501 /nfs/dbraw/zinc/13/35/01/917133501.db2.gz KRIAFRHCPUSULH-OPRDCNLKSA-N 1 1 319.383 -2.217 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329073082 917139081 /nfs/dbraw/zinc/13/90/81/917139081.db2.gz ITIFUWTYJJWECL-HTQZYQBOSA-N 1 1 304.376 -1.550 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)O1 ZINC001329087578 917139776 /nfs/dbraw/zinc/13/97/76/917139776.db2.gz UJIUHJPFJDCKMB-GARJFASQSA-N 1 1 312.370 -1.525 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCCN2C(=O)CCC2=O)CC1 ZINC001329139574 917144646 /nfs/dbraw/zinc/14/46/46/917144646.db2.gz ASUIKJJRVMDEKN-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001329135383 917145201 /nfs/dbraw/zinc/14/52/01/917145201.db2.gz RKDAPSURBKHXMU-HUUCEWRRSA-N 1 1 300.447 -1.095 20 0 DAADMO COc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)nn1C ZINC001329148154 917147513 /nfs/dbraw/zinc/14/75/13/917147513.db2.gz XYWYJAJFKAHSLW-VIFPVBQESA-N 1 1 311.342 -1.450 20 0 DAADMO CO[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329204563 917149693 /nfs/dbraw/zinc/14/96/93/917149693.db2.gz MTESDVBUORCLRS-XQHKEYJVSA-N 1 1 311.382 -1.053 20 0 DAADMO CO[C@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329204559 917151101 /nfs/dbraw/zinc/15/11/01/917151101.db2.gz MTESDVBUORCLRS-RVMXOQNASA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001329196407 917151263 /nfs/dbraw/zinc/15/12/63/917151263.db2.gz RZMCSSAFEOLKHA-ZJUUUORDSA-N 1 1 322.369 -1.053 20 0 DAADMO O=C(CCN1C(=O)CCNC1=S)NCC[N@@H+]1CC[C@H](O)C1 ZINC001329253890 917155830 /nfs/dbraw/zinc/15/58/30/917155830.db2.gz RRRDJKFYKAAUDU-JTQLQIEISA-N 1 1 314.411 -1.334 20 0 DAADMO C[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329329906 917160888 /nfs/dbraw/zinc/16/08/88/917160888.db2.gz MHVDVESLNNTPGP-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001329370077 917162753 /nfs/dbraw/zinc/16/27/53/917162753.db2.gz FZWXBUBVIFAYHT-JTQLQIEISA-N 1 1 312.370 -1.292 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001329408713 917163963 /nfs/dbraw/zinc/16/39/63/917163963.db2.gz JCBLNKALASWRFP-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CC(N)=O ZINC001329408713 917163969 /nfs/dbraw/zinc/16/39/69/917163969.db2.gz JCBLNKALASWRFP-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001329413114 917164578 /nfs/dbraw/zinc/16/45/78/917164578.db2.gz SJNZZHHMVVSNDO-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@H](CNC(=O)CC(N)=O)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001329413114 917164590 /nfs/dbraw/zinc/16/45/90/917164590.db2.gz SJNZZHHMVVSNDO-ZJUUUORDSA-N 1 1 305.400 -1.267 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001329431074 917166498 /nfs/dbraw/zinc/16/64/98/917166498.db2.gz IBIPGLVCNKOZMK-SECBINFHSA-N 1 1 323.357 -1.583 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329442667 917166701 /nfs/dbraw/zinc/16/67/01/917166701.db2.gz SLXGRQRIRWZSSB-DTWKUNHWSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)nn1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329433885 917167557 /nfs/dbraw/zinc/16/75/57/917167557.db2.gz YWHWDBAXPUXJAR-WCBMZHEXSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329442668 917168014 /nfs/dbraw/zinc/16/80/14/917168014.db2.gz SLXGRQRIRWZSSB-IUCAKERBSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)[N@@H+](C)CCOCCO ZINC001329473303 917173329 /nfs/dbraw/zinc/17/33/29/917173329.db2.gz XXJQZTDECLWILS-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@H+](C)CC(=O)NC(N)=O ZINC001329473642 917173557 /nfs/dbraw/zinc/17/35/57/917173557.db2.gz BDONLPPYPSDSND-ZCFIWIBFSA-N 1 1 323.300 -2.001 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC(F)F)[N@@H+](C)CC(=O)NC(N)=O ZINC001329473642 917173570 /nfs/dbraw/zinc/17/35/70/917173570.db2.gz BDONLPPYPSDSND-ZCFIWIBFSA-N 1 1 323.300 -2.001 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC001329508671 917175342 /nfs/dbraw/zinc/17/53/42/917175342.db2.gz SWFMUKVHOZWZHU-NSHDSACASA-N 1 1 322.369 -1.222 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329502707 917175458 /nfs/dbraw/zinc/17/54/58/917175458.db2.gz ZWRPFELLFVMQRG-APPZFPTMSA-N 1 1 308.342 -1.032 20 0 DAADMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001329513250 917175936 /nfs/dbraw/zinc/17/59/36/917175936.db2.gz XUKLUWMDKOWESB-NSHDSACASA-N 1 1 322.365 -1.185 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001329605965 917182332 /nfs/dbraw/zinc/18/23/32/917182332.db2.gz BDWCRIITGZAPIQ-BDAKNGLRSA-N 1 1 313.358 -1.761 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001329612068 917185401 /nfs/dbraw/zinc/18/54/01/917185401.db2.gz ABXCSGGAXVJMHZ-ZJUUUORDSA-N 1 1 312.370 -1.164 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nn1 ZINC001329763442 917196889 /nfs/dbraw/zinc/19/68/89/917196889.db2.gz HMSGGYRYZUGEIS-RYUDHWBXSA-N 1 1 322.369 -1.589 20 0 DAADMO CCN(C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1)[C@@H]1CC[N@@H+](C)C1 ZINC001329749764 917197840 /nfs/dbraw/zinc/19/78/40/917197840.db2.gz MUSRZEXAXDLRKQ-XQQFMLRXSA-N 1 1 313.398 -1.259 20 0 DAADMO Cn1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1 ZINC001329763444 917197865 /nfs/dbraw/zinc/19/78/65/917197865.db2.gz HMSGGYRYZUGEIS-VXGBXAGGSA-N 1 1 322.369 -1.589 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC[C@H]21 ZINC001329850043 917204010 /nfs/dbraw/zinc/20/40/10/917204010.db2.gz WOABCKKWENMPFF-GRYCIOLGSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329948677 917215294 /nfs/dbraw/zinc/21/52/94/917215294.db2.gz DGORYRSDNOYNOE-QWHCGFSZSA-N 1 1 308.382 -1.700 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H](O)[C@H](CO)C1 ZINC001329969495 917216605 /nfs/dbraw/zinc/21/66/05/917216605.db2.gz FFPGLDYHKAXDMP-NNYUYHANSA-N 1 1 313.354 -2.925 20 0 DAADMO CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330018059 917219231 /nfs/dbraw/zinc/21/92/31/917219231.db2.gz BYTGOOMBPGVUHA-ZJUUUORDSA-N 1 1 321.399 -1.970 20 0 DAADMO CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330018058 917220997 /nfs/dbraw/zinc/22/09/97/917220997.db2.gz BYTGOOMBPGVUHA-VHSXEESVSA-N 1 1 321.399 -1.970 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330006942 917221120 /nfs/dbraw/zinc/22/11/20/917221120.db2.gz CSZCSAVNZVUJGP-VXGBXAGGSA-N 1 1 324.381 -1.014 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001330045378 917222998 /nfs/dbraw/zinc/22/29/98/917222998.db2.gz BVBGCMKZLDZOIO-GXSJLCMTSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1COCCN1 ZINC001330025113 917223098 /nfs/dbraw/zinc/22/30/98/917223098.db2.gz WUNMOJNOOFUPIK-RYUDHWBXSA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1COCCN1 ZINC001330025113 917223115 /nfs/dbraw/zinc/22/31/15/917223115.db2.gz WUNMOJNOOFUPIK-RYUDHWBXSA-N 1 1 310.398 -1.309 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)C1C[NH+](CCN(C)S(C)(=O)=O)C1 ZINC001330049179 917226261 /nfs/dbraw/zinc/22/62/61/917226261.db2.gz TYQYLBRAWYIZIC-MRVPVSSYSA-N 1 1 306.388 -2.200 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001330308841 917236596 /nfs/dbraw/zinc/23/65/96/917236596.db2.gz JAAMBRGGXPTEHD-WHUPJOBBSA-N 1 1 304.297 -1.853 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@H]1C[N@H+](C)CCO1 ZINC001330271088 917237808 /nfs/dbraw/zinc/23/78/08/917237808.db2.gz XFTQOLKYZTUKTB-FVCCEPFGSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1)[C@H]1C[N@@H+](C)CCO1 ZINC001330271088 917237818 /nfs/dbraw/zinc/23/78/18/917237818.db2.gz XFTQOLKYZTUKTB-FVCCEPFGSA-N 1 1 311.382 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001330329154 917239944 /nfs/dbraw/zinc/23/99/44/917239944.db2.gz QWNHNTBECYBJNC-XSPKLOCKSA-N 1 1 311.342 -2.390 20 0 DAADMO CN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)[C@H]1CCNC1=O ZINC001330479959 917251225 /nfs/dbraw/zinc/25/12/25/917251225.db2.gz YMFALUNMDWJBAM-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1nnc(C(=O)N2CC3(C2)CCC[N@@H+](CCOCCO)C3)n1 ZINC001330501870 917251358 /nfs/dbraw/zinc/25/13/58/917251358.db2.gz KGKABAHQJXJBBJ-UHFFFAOYSA-N 1 1 324.385 -1.243 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001330642433 917258936 /nfs/dbraw/zinc/25/89/36/917258936.db2.gz BDGXWTOKYNZMKH-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO COCCOCC[NH+]1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC001330676080 917260835 /nfs/dbraw/zinc/26/08/35/917260835.db2.gz NXNYZQPCDMXACP-LLVKDONJSA-N 1 1 302.375 -1.150 20 0 DAADMO C[N@@H+](CCOCCO)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001331039404 917273922 /nfs/dbraw/zinc/27/39/22/917273922.db2.gz QSHVVFJTUICWFL-GFCCVEGCSA-N 1 1 314.386 -1.401 20 0 DAADMO C[N@H+](CCS(C)(=O)=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC001331012001 917274480 /nfs/dbraw/zinc/27/44/80/917274480.db2.gz ZPIZTFQCMIOJGD-UHFFFAOYSA-N 1 1 305.400 -1.171 20 0 DAADMO C[N@@H+](CCS(C)(=O)=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC001331012001 917274489 /nfs/dbraw/zinc/27/44/89/917274489.db2.gz ZPIZTFQCMIOJGD-UHFFFAOYSA-N 1 1 305.400 -1.171 20 0 DAADMO O=C(NCCCn1cncn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001331047367 917277734 /nfs/dbraw/zinc/27/77/34/917277734.db2.gz LUQQKXUMXYQHCQ-NWDGAFQWSA-N 1 1 322.369 -1.938 20 0 DAADMO CC(=O)NCC(=O)NCCOCC[N@H+](C)[C@@H]1CCNC1=O ZINC001331095039 917277875 /nfs/dbraw/zinc/27/78/75/917277875.db2.gz WDDHJQNORHLCJL-LLVKDONJSA-N 1 1 300.359 -1.924 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC001331143211 917278994 /nfs/dbraw/zinc/27/89/94/917278994.db2.gz WAJCEZUFJZENSL-XYPYZODXSA-N 1 1 315.370 -1.251 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)c1nccnc1N ZINC001331110767 917279039 /nfs/dbraw/zinc/27/90/39/917279039.db2.gz OYMOQEIQLSLDIO-SNVBAGLBSA-N 1 1 324.385 -1.129 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)c1cnns1 ZINC001331103335 917279155 /nfs/dbraw/zinc/27/91/55/917279155.db2.gz VYSXKFWLYFVTLB-UHFFFAOYSA-N 1 1 301.372 -1.038 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)c1cnns1 ZINC001331103335 917279169 /nfs/dbraw/zinc/27/91/69/917279169.db2.gz VYSXKFWLYFVTLB-UHFFFAOYSA-N 1 1 301.372 -1.038 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCOCCNC(=O)CC(N)=O)C1=O ZINC001331109357 917279319 /nfs/dbraw/zinc/27/93/19/917279319.db2.gz IIYFLOMJJQMFBU-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)c1cn[nH]c(=O)c1 ZINC001331133593 917279681 /nfs/dbraw/zinc/27/96/81/917279681.db2.gz RHWROAFHMOCEGC-UHFFFAOYSA-N 1 1 311.342 -1.394 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)c1cn[nH]c(=O)c1 ZINC001331133593 917279699 /nfs/dbraw/zinc/27/96/99/917279699.db2.gz RHWROAFHMOCEGC-UHFFFAOYSA-N 1 1 311.342 -1.394 20 0 DAADMO C[N@@H+](CCOCCNC(=O)c1cn[nH]c1)[C@@H]1CCC(=O)NC1=O ZINC001331102791 917279943 /nfs/dbraw/zinc/27/99/43/917279943.db2.gz OROAGHYGRWVHCH-LLVKDONJSA-N 1 1 323.353 -1.107 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001331119785 917280224 /nfs/dbraw/zinc/28/02/24/917280224.db2.gz PVETZCLYLREKTH-YNEHKIRRSA-N 1 1 311.430 -1.266 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001331119783 917280462 /nfs/dbraw/zinc/28/04/62/917280462.db2.gz PVETZCLYLREKTH-JHJVBQTASA-N 1 1 311.430 -1.266 20 0 DAADMO Cc1cc(NC(=O)C(=O)NCCOCC[N@@H+](C)CCO)no1 ZINC001331161959 917283238 /nfs/dbraw/zinc/28/32/38/917283238.db2.gz UIAGAGGRXGWNDI-UHFFFAOYSA-N 1 1 314.342 -1.022 20 0 DAADMO C[N@@H+](CCOCCNC(=O)Cc1nc[nH]n1)[C@H]1CCNC1=O ZINC001331160358 917283706 /nfs/dbraw/zinc/28/37/06/917283706.db2.gz CXFOGYDFLIIEDO-JTQLQIEISA-N 1 1 310.358 -1.700 20 0 DAADMO C[N@H+](CCOCCNC(=O)[C@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001331146317 917284492 /nfs/dbraw/zinc/28/44/92/917284492.db2.gz WWIRCYPPMASEJE-JTQLQIEISA-N 1 1 324.385 -1.226 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@H]1CCCc2nn[nH]c21)CC(N)=O ZINC001331146317 917284502 /nfs/dbraw/zinc/28/45/02/917284502.db2.gz WWIRCYPPMASEJE-JTQLQIEISA-N 1 1 324.385 -1.226 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001331189491 917286569 /nfs/dbraw/zinc/28/65/69/917286569.db2.gz QBKCCNDIDXZZEF-MGPQQGTHSA-N 1 1 315.414 -1.601 20 0 DAADMO CN(CCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC[NH+](C)C ZINC001331189491 917286585 /nfs/dbraw/zinc/28/65/85/917286585.db2.gz QBKCCNDIDXZZEF-MGPQQGTHSA-N 1 1 315.414 -1.601 20 0 DAADMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccnn1C ZINC001331238555 917289300 /nfs/dbraw/zinc/28/93/00/917289300.db2.gz MHKVWZLOLXQTFP-NEPJUHHUSA-N 1 1 322.413 -1.041 20 0 DAADMO CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001331465389 917292999 /nfs/dbraw/zinc/29/29/99/917292999.db2.gz ZETXQWYARIVXON-WHOHXGKFSA-N 1 1 324.381 -2.014 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1=O ZINC001331553233 917296198 /nfs/dbraw/zinc/29/61/98/917296198.db2.gz LSSBCISZXFMQGQ-MNOVXSKESA-N 1 1 310.354 -1.140 20 0 DAADMO CN1C(=O)CN(CC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC001331553234 917298343 /nfs/dbraw/zinc/29/83/43/917298343.db2.gz LSSBCISZXFMQGQ-QWRGUYRKSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1C(=O)CCC1=O)[NH2+]Cc1ncnn1C ZINC001331632456 917306620 /nfs/dbraw/zinc/30/66/20/917306620.db2.gz REZVNMHNTNHBMD-JTQLQIEISA-N 1 1 322.369 -1.099 20 0 DAADMO COc1ncncc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001331656299 917310704 /nfs/dbraw/zinc/31/07/04/917310704.db2.gz LYOFMSWTKJKDEH-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001331664242 917313062 /nfs/dbraw/zinc/31/30/62/917313062.db2.gz HKUXEMAZTILWIO-LLVKDONJSA-N 1 1 306.326 -1.671 20 0 DAADMO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331752393 917330270 /nfs/dbraw/zinc/33/02/70/917330270.db2.gz BSCMDQVUHSMBPB-SNVBAGLBSA-N 1 1 321.399 -2.016 20 0 DAADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331752989 917331998 /nfs/dbraw/zinc/33/19/98/917331998.db2.gz IJDQGQLKGGSSGB-SECBINFHSA-N 1 1 307.372 -2.406 20 0 DAADMO C[C@@H]1C[C@H]1NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001331760757 917334504 /nfs/dbraw/zinc/33/45/04/917334504.db2.gz AWBCVGZQIVCIQZ-IJLUTSLNSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1ccc(CNC(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O)cc1 ZINC001331774012 917335006 /nfs/dbraw/zinc/33/50/06/917335006.db2.gz JZUMYXPXQYQOCM-LBPRGKRZSA-N 1 1 322.365 -1.837 20 0 DAADMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c(=O)n(C)c1 ZINC001331786068 917336870 /nfs/dbraw/zinc/33/68/70/917336870.db2.gz VLUPLLIKZFHNSL-NSHDSACASA-N 1 1 322.365 -1.185 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cnn(CCF)c1 ZINC001331782284 917337851 /nfs/dbraw/zinc/33/78/51/917337851.db2.gz NARNDWLRTKUEKF-LLVKDONJSA-N 1 1 313.333 -1.026 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001331774896 917338391 /nfs/dbraw/zinc/33/83/91/917338391.db2.gz OVLYIGLZKJSNLZ-MRVPVSSYSA-N 1 1 313.383 -1.321 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC001331780284 917339052 /nfs/dbraw/zinc/33/90/52/917339052.db2.gz MRBCPQJTWXUDOX-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO CCN(OC)C(=O)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC001331780284 917339068 /nfs/dbraw/zinc/33/90/68/917339068.db2.gz MRBCPQJTWXUDOX-JTQLQIEISA-N 1 1 300.359 -1.277 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001331821331 917343080 /nfs/dbraw/zinc/34/30/80/917343080.db2.gz YKPANCGHOYYVFS-VIFPVBQESA-N 1 1 324.341 -2.461 20 0 DAADMO Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)CN1C(=O)CCC1=O ZINC001331835688 917345079 /nfs/dbraw/zinc/34/50/79/917345079.db2.gz MZIMCYUTYSIKND-LLVKDONJSA-N 1 1 324.337 -1.301 20 0 DAADMO COCCOCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001331870346 917345654 /nfs/dbraw/zinc/34/56/54/917345654.db2.gz PQFNEYFGUKTCHJ-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CN1CCN(CCn2cc(CCN3CC[NH2+]CC3)nn2)CC1 ZINC001331856160 917346540 /nfs/dbraw/zinc/34/65/40/917346540.db2.gz BZIGFXDCJRRLIH-UHFFFAOYSA-N 1 1 307.446 -1.027 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001331882414 917348376 /nfs/dbraw/zinc/34/83/76/917348376.db2.gz FSAZPWKSIKMDLG-JTQLQIEISA-N 1 1 319.333 -1.548 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC=C[C@H]1CO ZINC001332109352 917354340 /nfs/dbraw/zinc/35/43/40/917354340.db2.gz MALYBPMPKKRWSM-YNEHKIRRSA-N 1 1 309.366 -1.275 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC001332250698 917360947 /nfs/dbraw/zinc/36/09/47/917360947.db2.gz NOVNHFWFUNQRGD-RDBSUJKOSA-N 1 1 323.441 -1.299 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001332367624 917366759 /nfs/dbraw/zinc/36/67/59/917366759.db2.gz RQZKCRLWJNZCJP-CHWSQXEVSA-N 1 1 304.387 -1.217 20 0 DAADMO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC001332415523 917370058 /nfs/dbraw/zinc/37/00/58/917370058.db2.gz DDIRYEMKIVEOGW-RWMBFGLXSA-N 1 1 310.398 -1.539 20 0 DAADMO C[C@@H](O)[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)N(C)C)CC2)C1=O ZINC001332417920 917370090 /nfs/dbraw/zinc/37/00/90/917370090.db2.gz PCWPPJPCCQAJKY-SKDRFNHKSA-N 1 1 312.370 -1.160 20 0 DAADMO O=C1N[C@@H](CO)C(=O)N1CC1([NH+]2CCOCC2)CCOCC1 ZINC001332445841 917373119 /nfs/dbraw/zinc/37/31/19/917373119.db2.gz GOGQOAQZKANPSB-NSHDSACASA-N 1 1 313.354 -1.220 20 0 DAADMO CN(C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ccn[nH]1 ZINC001332489993 917378945 /nfs/dbraw/zinc/37/89/45/917378945.db2.gz KXXIZASLQLZUNB-SECBINFHSA-N 1 1 319.387 -2.019 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001332490867 917378970 /nfs/dbraw/zinc/37/89/70/917378970.db2.gz OITCVTAKHYYNGS-ZJUUUORDSA-N 1 1 323.353 -1.454 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C(=O)c1ccn[nH]1 ZINC001332489997 917379247 /nfs/dbraw/zinc/37/92/47/917379247.db2.gz KXXIZASLQLZUNB-VIFPVBQESA-N 1 1 319.387 -2.019 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C(C)(C)C)C(=O)C(N)=O ZINC001332562090 917383236 /nfs/dbraw/zinc/38/32/36/917383236.db2.gz RUVQRORTXPZQLI-SECBINFHSA-N 1 1 312.374 -1.573 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001332630967 917393958 /nfs/dbraw/zinc/39/39/58/917393958.db2.gz DRSDWPJSICUSKO-VHSXEESVSA-N 1 1 316.402 -1.487 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1C(=O)CNC1=O)C(=O)C1CC1 ZINC001332616859 917395051 /nfs/dbraw/zinc/39/50/51/917395051.db2.gz PBZCDDOCIUZMBY-LLVKDONJSA-N 1 1 312.370 -1.301 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332675400 917400797 /nfs/dbraw/zinc/40/07/97/917400797.db2.gz BUCRMUCWNAPNNG-NXEZZACHSA-N 1 1 303.334 -1.240 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001332675400 917400800 /nfs/dbraw/zinc/40/08/00/917400800.db2.gz BUCRMUCWNAPNNG-NXEZZACHSA-N 1 1 303.334 -1.240 20 0 DAADMO CCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332663029 917400947 /nfs/dbraw/zinc/40/09/47/917400947.db2.gz JORVAQBCBPCDNY-GHMZBOCLSA-N 1 1 316.402 -1.472 20 0 DAADMO CCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332663029 917400955 /nfs/dbraw/zinc/40/09/55/917400955.db2.gz JORVAQBCBPCDNY-GHMZBOCLSA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332661940 917401672 /nfs/dbraw/zinc/40/16/72/917401672.db2.gz AUAXHAMSHPKVAR-MNOVXSKESA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332661940 917401685 /nfs/dbraw/zinc/40/16/85/917401685.db2.gz AUAXHAMSHPKVAR-MNOVXSKESA-N 1 1 316.402 -1.472 20 0 DAADMO COc1cc(C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001332665201 917402148 /nfs/dbraw/zinc/40/21/48/917402148.db2.gz YPTNGNIIINXOSB-QMMMGPOBSA-N 1 1 316.383 -1.112 20 0 DAADMO COc1cc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001332665201 917402159 /nfs/dbraw/zinc/40/21/59/917402159.db2.gz YPTNGNIIINXOSB-QMMMGPOBSA-N 1 1 316.383 -1.112 20 0 DAADMO CCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332663030 917402177 /nfs/dbraw/zinc/40/21/77/917402177.db2.gz JORVAQBCBPCDNY-MNOVXSKESA-N 1 1 316.402 -1.472 20 0 DAADMO CCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332663030 917402187 /nfs/dbraw/zinc/40/21/87/917402187.db2.gz JORVAQBCBPCDNY-MNOVXSKESA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332661939 917402750 /nfs/dbraw/zinc/40/27/50/917402750.db2.gz AUAXHAMSHPKVAR-GHMZBOCLSA-N 1 1 316.402 -1.472 20 0 DAADMO CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332661939 917402758 /nfs/dbraw/zinc/40/27/58/917402758.db2.gz AUAXHAMSHPKVAR-GHMZBOCLSA-N 1 1 316.402 -1.472 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C(=O)C(N)=O ZINC001332721760 917407653 /nfs/dbraw/zinc/40/76/53/917407653.db2.gz BEPUGBNHYFMMJS-QMMMGPOBSA-N 1 1 301.347 -1.776 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C(=O)C(N)=O ZINC001332721760 917407661 /nfs/dbraw/zinc/40/76/61/917407661.db2.gz BEPUGBNHYFMMJS-QMMMGPOBSA-N 1 1 301.347 -1.776 20 0 DAADMO COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001332778832 917408677 /nfs/dbraw/zinc/40/86/77/917408677.db2.gz UZWYPAJLMPIAOT-CYZMBNFOSA-N 1 1 311.382 -1.053 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC001333035079 917419114 /nfs/dbraw/zinc/41/91/14/917419114.db2.gz TUOAMKDBCPKEQA-DCAQKATOSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H]1CCOCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001333028626 917421334 /nfs/dbraw/zinc/42/13/34/917421334.db2.gz VBDWYLMMYGNPIQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001333099817 917422976 /nfs/dbraw/zinc/42/29/76/917422976.db2.gz IUBSBGNPZXKWOR-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001333099817 917423003 /nfs/dbraw/zinc/42/30/03/917423003.db2.gz IUBSBGNPZXKWOR-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001333099817 917423017 /nfs/dbraw/zinc/42/30/17/917423017.db2.gz IUBSBGNPZXKWOR-WDEREUQCSA-N 1 1 311.386 -1.369 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C2(O)CCOCC2)C[C@H]1O ZINC001333208206 917427198 /nfs/dbraw/zinc/42/71/98/917427198.db2.gz YPWXNFRGDPBWFZ-NWDGAFQWSA-N 1 1 305.371 -1.056 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C[C@@H]1O ZINC001333208203 917427340 /nfs/dbraw/zinc/42/73/40/917427340.db2.gz YPWXNFRGDPBWFZ-NEPJUHHUSA-N 1 1 305.371 -1.056 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001333206848 917427628 /nfs/dbraw/zinc/42/76/28/917427628.db2.gz NQEMOHWLBBSJSF-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO CN(CCOCC[NH2+]Cc1nncn1C)C(=O)c1cnnn1C ZINC001333217559 917427863 /nfs/dbraw/zinc/42/78/63/917427863.db2.gz LBAUHNJRPPLDAK-UHFFFAOYSA-N 1 1 322.373 -1.178 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C[C@H]1O ZINC001333208209 917428174 /nfs/dbraw/zinc/42/81/74/917428174.db2.gz YPWXNFRGDPBWFZ-VXGBXAGGSA-N 1 1 305.371 -1.056 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncccn1)C(=O)[C@H]1CNC(=O)N1 ZINC001333243826 917431439 /nfs/dbraw/zinc/43/14/39/917431439.db2.gz AJLZQYVEJXSWTK-LLVKDONJSA-N 1 1 322.369 -1.277 20 0 DAADMO COC1(OC)CC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C[C@@H]1O ZINC001333247546 917431674 /nfs/dbraw/zinc/43/16/74/917431674.db2.gz CXJSDXFLQYMITN-AGIUHOORSA-N 1 1 305.371 -1.056 20 0 DAADMO NC(=O)CC(=O)NCC1=CC[N@@H+](CCN2C(=O)CNC2=O)CC1 ZINC001333315702 917435050 /nfs/dbraw/zinc/43/50/50/917435050.db2.gz DXUVKJCQQOTKFR-UHFFFAOYSA-N 1 1 323.353 -1.838 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001333354955 917438732 /nfs/dbraw/zinc/43/87/32/917438732.db2.gz UBQQVKXATYKWCM-NSHDSACASA-N 1 1 310.354 -1.285 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001333378261 917439147 /nfs/dbraw/zinc/43/91/47/917439147.db2.gz KUZFSFXXNUMSKC-NSHDSACASA-N 1 1 310.358 -1.421 20 0 DAADMO C[N@@H+]1CCN(CC(=O)NCCCN2CCCC2=O)[C@H](CO)C1 ZINC001333430379 917442765 /nfs/dbraw/zinc/44/27/65/917442765.db2.gz ZBBQKQYWFPOYGD-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[N@H+]1CCN(CC(=O)NCCCN2CCCC2=O)[C@H](CO)C1 ZINC001333430379 917442776 /nfs/dbraw/zinc/44/27/76/917442776.db2.gz ZBBQKQYWFPOYGD-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001334044854 917471698 /nfs/dbraw/zinc/47/16/98/917471698.db2.gz VONFHCXOOZWZJQ-ZUWCUPBKSA-N 1 1 323.393 -1.195 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)C1 ZINC001334058024 917476090 /nfs/dbraw/zinc/47/60/90/917476090.db2.gz NETJTVVHBVUWBZ-SLEUVZQESA-N 1 1 311.382 -1.193 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001334206401 917478443 /nfs/dbraw/zinc/47/84/43/917478443.db2.gz JQZKZWVMMYCZQT-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001334206401 917478449 /nfs/dbraw/zinc/47/84/49/917478449.db2.gz JQZKZWVMMYCZQT-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316893 917484474 /nfs/dbraw/zinc/48/44/74/917484474.db2.gz VOAYSRNSYWTVDE-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)N(C)C(=O)CC(N)=O)C1 ZINC001334316893 917484484 /nfs/dbraw/zinc/48/44/84/917484484.db2.gz VOAYSRNSYWTVDE-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001334477531 917489245 /nfs/dbraw/zinc/48/92/45/917489245.db2.gz DYZDWGDXRWCPBL-MXWKQRLJSA-N 1 1 319.369 -1.134 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001334567174 917497145 /nfs/dbraw/zinc/49/71/45/917497145.db2.gz VLEJHBFPFJUCIL-WDEREUQCSA-N 1 1 309.388 -2.156 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001334567174 917497150 /nfs/dbraw/zinc/49/71/50/917497150.db2.gz VLEJHBFPFJUCIL-WDEREUQCSA-N 1 1 309.388 -2.156 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)C(N)=O)C1 ZINC001334677121 917502294 /nfs/dbraw/zinc/50/22/94/917502294.db2.gz CIGWNKINUDQLAV-UHFFFAOYSA-N 1 1 300.359 -2.109 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(CCO)(NC(=O)C(N)=O)C2)C1 ZINC001334664522 917502670 /nfs/dbraw/zinc/50/26/70/917502670.db2.gz IRQNYBPWKMGRLK-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001334722040 917504813 /nfs/dbraw/zinc/50/48/13/917504813.db2.gz ZKENJOOFKVBSAI-SCZZXKLOSA-N 1 1 301.318 -1.033 20 0 DAADMO CN1C(=O)NC2(CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)C1=O ZINC001334764157 917505815 /nfs/dbraw/zinc/50/58/15/917505815.db2.gz RWLDVOZTEWCBAW-YGRLFVJLSA-N 1 1 324.381 -1.016 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001334722041 917506547 /nfs/dbraw/zinc/50/65/47/917506547.db2.gz ZKENJOOFKVBSAI-WPRPVWTQSA-N 1 1 301.318 -1.033 20 0 DAADMO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001334786903 917508893 /nfs/dbraw/zinc/50/88/93/917508893.db2.gz NOJDNLNGSWRDIM-SNVBAGLBSA-N 1 1 317.411 -1.158 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001334786903 917508902 /nfs/dbraw/zinc/50/89/02/917508902.db2.gz NOJDNLNGSWRDIM-SNVBAGLBSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001334819085 917508998 /nfs/dbraw/zinc/50/89/98/917508998.db2.gz CNMSQBZPIJYWAS-VHSXEESVSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001334819085 917509012 /nfs/dbraw/zinc/50/90/12/917509012.db2.gz CNMSQBZPIJYWAS-VHSXEESVSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001334819082 917509741 /nfs/dbraw/zinc/50/97/41/917509741.db2.gz CNMSQBZPIJYWAS-NXEZZACHSA-N 1 1 317.411 -1.111 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)C1CC1 ZINC001334819082 917509749 /nfs/dbraw/zinc/50/97/49/917509749.db2.gz CNMSQBZPIJYWAS-NXEZZACHSA-N 1 1 317.411 -1.111 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)CCNC(=O)CO)CC1 ZINC001334891435 917512401 /nfs/dbraw/zinc/51/24/01/917512401.db2.gz LCYIPNKMSOSPGV-UHFFFAOYSA-N 1 1 300.403 -1.371 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1(C)C ZINC001335088095 917521623 /nfs/dbraw/zinc/52/16/23/917521623.db2.gz BCMYDGVWUQGFHL-SNVBAGLBSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1(C)C ZINC001335088095 917521634 /nfs/dbraw/zinc/52/16/34/917521634.db2.gz BCMYDGVWUQGFHL-SNVBAGLBSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001335114357 917524397 /nfs/dbraw/zinc/52/43/97/917524397.db2.gz AZEUJVLQRMMHGH-SNVBAGLBSA-N 1 1 312.370 -1.843 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001335218959 917531704 /nfs/dbraw/zinc/53/17/04/917531704.db2.gz HKSYUGMAXOOFOR-ZDUSSCGKSA-N 1 1 323.441 -1.392 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001335207296 917532446 /nfs/dbraw/zinc/53/24/46/917532446.db2.gz KWDVNTJWGFMJDC-FRRDWIJNSA-N 1 1 311.430 -1.408 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC001335207296 917532457 /nfs/dbraw/zinc/53/24/57/917532457.db2.gz KWDVNTJWGFMJDC-FRRDWIJNSA-N 1 1 311.430 -1.408 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001335218958 917533647 /nfs/dbraw/zinc/53/36/47/917533647.db2.gz HKSYUGMAXOOFOR-CYBMUJFWSA-N 1 1 323.441 -1.392 20 0 DAADMO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001335231939 917537140 /nfs/dbraw/zinc/53/71/40/917537140.db2.gz ZBLBZFBROTYGLW-NXEZZACHSA-N 1 1 319.383 -2.216 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC001335682185 917556847 /nfs/dbraw/zinc/55/68/47/917556847.db2.gz DRONRBSKDOYRDB-AOOOYVTPSA-N 1 1 313.354 -1.716 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC001335682185 917556853 /nfs/dbraw/zinc/55/68/53/917556853.db2.gz DRONRBSKDOYRDB-AOOOYVTPSA-N 1 1 313.354 -1.716 20 0 DAADMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001335654887 917557028 /nfs/dbraw/zinc/55/70/28/917557028.db2.gz HGDPUCPNOZCWJR-GARJFASQSA-N 1 1 322.365 -1.730 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001335654887 917557035 /nfs/dbraw/zinc/55/70/35/917557035.db2.gz HGDPUCPNOZCWJR-GARJFASQSA-N 1 1 322.365 -1.730 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC001335751727 917561620 /nfs/dbraw/zinc/56/16/20/917561620.db2.gz RCFJOLZFWYEWIC-WUHRBBMRSA-N 1 1 309.414 -1.643 20 0 DAADMO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001335801850 917562292 /nfs/dbraw/zinc/56/22/92/917562292.db2.gz MFKNYGFKCVVBDJ-CRWXNKLISA-N 1 1 324.425 -1.103 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CN1C(=O)CNC1=O ZINC001336020234 917567261 /nfs/dbraw/zinc/56/72/61/917567261.db2.gz XWUKOTSXTHRNDO-UHFFFAOYSA-N 1 1 311.342 -2.229 20 0 DAADMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCNC3=O)CC2)C1=O ZINC001336051014 917568688 /nfs/dbraw/zinc/56/86/88/917568688.db2.gz JQGZJPDIZFNVIB-UHFFFAOYSA-N 1 1 309.326 -1.446 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001336134067 917571461 /nfs/dbraw/zinc/57/14/61/917571461.db2.gz KQDWHFISKGDQJV-MJBXVCDLSA-N 1 1 324.425 -1.149 20 0 DAADMO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001336134067 917571467 /nfs/dbraw/zinc/57/14/67/917571467.db2.gz KQDWHFISKGDQJV-MJBXVCDLSA-N 1 1 324.425 -1.149 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001336221290 917572791 /nfs/dbraw/zinc/57/27/91/917572791.db2.gz QSRWGYHNXIIYMH-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO CN(CCNS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001336221290 917572804 /nfs/dbraw/zinc/57/28/04/917572804.db2.gz QSRWGYHNXIIYMH-VIFPVBQESA-N 1 1 306.388 -2.186 20 0 DAADMO C[C@H](CCCNC(=O)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001336199540 917575148 /nfs/dbraw/zinc/57/51/48/917575148.db2.gz TYQVDKPMZAKSPN-LLVKDONJSA-N 1 1 314.386 -1.405 20 0 DAADMO CN1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC001336300000 917576274 /nfs/dbraw/zinc/57/62/74/917576274.db2.gz YIQGHBVOANZDKK-UTUOFQBUSA-N 1 1 308.382 -1.114 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001336312659 917580102 /nfs/dbraw/zinc/58/01/02/917580102.db2.gz NZJKBUUNHGTQPW-VIFPVBQESA-N 1 1 313.354 -1.668 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1(C)C ZINC001336365600 917580495 /nfs/dbraw/zinc/58/04/95/917580495.db2.gz USHAJEXRULCDBJ-LLVKDONJSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1(C)C ZINC001336365600 917580501 /nfs/dbraw/zinc/58/05/01/917580501.db2.gz USHAJEXRULCDBJ-LLVKDONJSA-N 1 1 323.397 -1.225 20 0 DAADMO COC(=O)C1(O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC001336342894 917580891 /nfs/dbraw/zinc/58/08/91/917580891.db2.gz HUMCENKYOSHKPT-NXEZZACHSA-N 1 1 313.354 -1.668 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCNC(=O)C1 ZINC001336343474 917580941 /nfs/dbraw/zinc/58/09/41/917580941.db2.gz IOGJKPFMGIZVNS-LLVKDONJSA-N 1 1 311.386 -2.303 20 0 DAADMO CN1CCN(C(=O)c2nccnc2C(N)=O)CC[N@H+](C)CC1 ZINC001336601382 917595636 /nfs/dbraw/zinc/59/56/36/917595636.db2.gz XLBYUVCIHUPPDK-UHFFFAOYSA-N 1 1 306.370 -1.105 20 0 DAADMO CN1CCN(C(=O)c2nccnc2C(N)=O)CC[N@@H+](C)CC1 ZINC001336601382 917595649 /nfs/dbraw/zinc/59/56/49/917595649.db2.gz XLBYUVCIHUPPDK-UHFFFAOYSA-N 1 1 306.370 -1.105 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCOCCNC(=O)C(N)=O ZINC001336657633 917600306 /nfs/dbraw/zinc/60/03/06/917600306.db2.gz OIIYOEDNJVQNAX-UHFFFAOYSA-N 1 1 311.342 -1.732 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCOCCNC(=O)C(N)=O ZINC001336657626 917600341 /nfs/dbraw/zinc/60/03/41/917600341.db2.gz OFPPHNFLAFYQOS-UHFFFAOYSA-N 1 1 302.375 -1.597 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCCOCCNC(=O)C(N)=O)C1 ZINC001336848995 917606676 /nfs/dbraw/zinc/60/66/76/917606676.db2.gz CCDPOQCMPIYIHZ-LLVKDONJSA-N 1 1 314.386 -1.547 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001337377936 917618109 /nfs/dbraw/zinc/61/81/09/917618109.db2.gz SHYYPXARHCQOHX-FRRDWIJNSA-N 1 1 309.414 -1.689 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001337381421 917618642 /nfs/dbraw/zinc/61/86/42/917618642.db2.gz NAACTWMCQFONHJ-LBPRGKRZSA-N 1 1 323.397 -1.223 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599292 917631902 /nfs/dbraw/zinc/63/19/02/917631902.db2.gz GEJPQSJSTZVDQC-IUCAKERBSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599292 917631912 /nfs/dbraw/zinc/63/19/12/917631912.db2.gz GEJPQSJSTZVDQC-IUCAKERBSA-N 1 1 302.331 -3.214 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001337599204 917633533 /nfs/dbraw/zinc/63/35/33/917633533.db2.gz DSVFGAWJPHEBSK-NXEZZACHSA-N 1 1 300.359 -2.061 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599290 917633584 /nfs/dbraw/zinc/63/35/84/917633584.db2.gz GEJPQSJSTZVDQC-BDAKNGLRSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599290 917633589 /nfs/dbraw/zinc/63/35/89/917633589.db2.gz GEJPQSJSTZVDQC-BDAKNGLRSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599291 917633616 /nfs/dbraw/zinc/63/36/16/917633616.db2.gz GEJPQSJSTZVDQC-DTWKUNHWSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(N)=O)C1 ZINC001337599291 917633623 /nfs/dbraw/zinc/63/36/23/917633623.db2.gz GEJPQSJSTZVDQC-DTWKUNHWSA-N 1 1 302.331 -3.214 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CO)CNC(=O)CC(N)=O ZINC001337612620 917636257 /nfs/dbraw/zinc/63/62/57/917636257.db2.gz YLHDWDMIPUGFIN-GHMZBOCLSA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C1(C(N)=O)CC1 ZINC001337840885 917657640 /nfs/dbraw/zinc/65/76/40/917657640.db2.gz PAYIZPPCMGDROM-VHSXEESVSA-N 1 1 312.370 -2.061 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC001338321958 917678918 /nfs/dbraw/zinc/67/89/18/917678918.db2.gz MFKNYGFKCVVBDJ-XUXIUFHCSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001338321958 917678931 /nfs/dbraw/zinc/67/89/31/917678931.db2.gz MFKNYGFKCVVBDJ-XUXIUFHCSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC001338321957 917679109 /nfs/dbraw/zinc/67/91/09/917679109.db2.gz MFKNYGFKCVVBDJ-XDQVBPFNSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001338321957 917679117 /nfs/dbraw/zinc/67/91/17/917679117.db2.gz MFKNYGFKCVVBDJ-XDQVBPFNSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001338454963 917684416 /nfs/dbraw/zinc/68/44/16/917684416.db2.gz YALFPQIQBBLHKZ-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cn1 ZINC001338484867 917687838 /nfs/dbraw/zinc/68/78/38/917687838.db2.gz SLGWJKLAEULNFU-UHFFFAOYSA-N 1 1 322.369 -1.268 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)C(N)=O ZINC001338595615 917695487 /nfs/dbraw/zinc/69/54/87/917695487.db2.gz OQJQNJVYMLVXNG-SNVBAGLBSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O)C1 ZINC001338596095 917696381 /nfs/dbraw/zinc/69/63/81/917696381.db2.gz QUDMVKFKCPCZFQ-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001338598617 917699644 /nfs/dbraw/zinc/69/96/44/917699644.db2.gz YOMPFTKZUBJTMW-WDEREUQCSA-N 1 1 314.386 -1.718 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001338657402 917702438 /nfs/dbraw/zinc/70/24/38/917702438.db2.gz ALPNRHLQTQVTPM-JTQLQIEISA-N 1 1 311.342 -2.045 20 0 DAADMO CN(C[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001338669294 917702740 /nfs/dbraw/zinc/70/27/40/917702740.db2.gz ZAWPEOWEYKEPOA-LLVKDONJSA-N 1 1 314.386 -1.766 20 0 DAADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2C1 ZINC001338678662 917706041 /nfs/dbraw/zinc/70/60/41/917706041.db2.gz ALAQPKAVRRDCGG-UHFFFAOYSA-N 1 1 320.349 -1.205 20 0 DAADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2C1 ZINC001338678662 917706049 /nfs/dbraw/zinc/70/60/49/917706049.db2.gz ALAQPKAVRRDCGG-UHFFFAOYSA-N 1 1 320.349 -1.205 20 0 DAADMO C[C@@H](C(=O)NCCOCCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001339449472 917715726 /nfs/dbraw/zinc/71/57/26/917715726.db2.gz UOFCBZLQFADDHS-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO NC(=O)C(=O)N1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001339534778 917718166 /nfs/dbraw/zinc/71/81/66/917718166.db2.gz MNRGSBFMRVMKEL-UHFFFAOYSA-N 1 1 324.381 -1.531 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001340009771 917728297 /nfs/dbraw/zinc/72/82/97/917728297.db2.gz JIVACVMFJYRCOT-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC001340201586 917730536 /nfs/dbraw/zinc/73/05/36/917730536.db2.gz YOHGWVMGMIFRRI-SECBINFHSA-N 1 1 321.341 -1.162 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001340417391 917734064 /nfs/dbraw/zinc/73/40/64/917734064.db2.gz LDKQPKPREATNCU-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001340417391 917734075 /nfs/dbraw/zinc/73/40/75/917734075.db2.gz LDKQPKPREATNCU-UHFFFAOYSA-N 1 1 309.374 -1.541 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC001340855461 917742251 /nfs/dbraw/zinc/74/22/51/917742251.db2.gz BQLISQVKCQVMJU-PSASIEDQSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1noc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001340855461 917742262 /nfs/dbraw/zinc/74/22/62/917742262.db2.gz BQLISQVKCQVMJU-PSASIEDQSA-N 1 1 311.342 -1.170 20 0 DAADMO C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001340926939 917745548 /nfs/dbraw/zinc/74/55/48/917745548.db2.gz ATQGSGUKLSKQAB-ILXRZTDVSA-N 1 1 307.442 -1.119 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@]1(OC)CCOC1 ZINC001341182745 917747865 /nfs/dbraw/zinc/74/78/65/917747865.db2.gz DDWGXYJNAGEDDT-CQSZACIVSA-N 1 1 317.386 -1.398 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCc3nc[nH]c3[C@@]23CC[NH2+]C3)C1=O ZINC001341035565 917748303 /nfs/dbraw/zinc/74/83/03/917748303.db2.gz KKPRXBYECQFWQU-NHYWBVRUSA-N 1 1 319.365 -1.160 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CCc3nc[nH]c3[C@]23CC[NH2+]C3)C1=O ZINC001341035562 917749619 /nfs/dbraw/zinc/74/96/19/917749619.db2.gz KKPRXBYECQFWQU-IAQYHMDHSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001341602735 917759948 /nfs/dbraw/zinc/75/99/48/917759948.db2.gz KCYJPVYQOOCFSF-GHMZBOCLSA-N 1 1 323.353 -1.855 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CN(C)C(=O)CN2)CC1 ZINC001341731381 917764588 /nfs/dbraw/zinc/76/45/88/917764588.db2.gz DOEJVIARBTZHBV-ZDUSSCGKSA-N 1 1 311.430 -1.440 20 0 DAADMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001341853692 917766891 /nfs/dbraw/zinc/76/68/91/917766891.db2.gz CIUSLVNCGPFGKN-MNOVXSKESA-N 1 1 317.386 -1.053 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)[N@@H+](C)C1CC1 ZINC001341770355 917767360 /nfs/dbraw/zinc/76/73/60/917767360.db2.gz RTJFMQYMWGHYAI-VHSXEESVSA-N 1 1 311.386 -1.146 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC001341898901 917770321 /nfs/dbraw/zinc/77/03/21/917770321.db2.gz OUSQJUHNDBRRLX-WDEREUQCSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC001341898897 917770592 /nfs/dbraw/zinc/77/05/92/917770592.db2.gz OUSQJUHNDBRRLX-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC001341893480 917770666 /nfs/dbraw/zinc/77/06/66/917770666.db2.gz HBJLKFIZCRNJBN-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC001341893480 917770671 /nfs/dbraw/zinc/77/06/71/917770671.db2.gz HBJLKFIZCRNJBN-GHMZBOCLSA-N 1 1 313.354 -1.403 20 0 DAADMO C[C@@H](C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CC[NH+](C)CC1 ZINC001341945664 917772586 /nfs/dbraw/zinc/77/25/86/917772586.db2.gz NLUMXQPYMOIUKZ-WDEREUQCSA-N 1 1 309.370 -1.615 20 0 DAADMO CC(=O)NCCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001341988157 917772790 /nfs/dbraw/zinc/77/27/90/917772790.db2.gz UEFYWTNWOZYQJN-UHFFFAOYSA-N 1 1 324.385 -1.255 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001342059719 917774968 /nfs/dbraw/zinc/77/49/68/917774968.db2.gz YQVSUANBCLMUPG-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001342059720 917776715 /nfs/dbraw/zinc/77/67/15/917776715.db2.gz YQVSUANBCLMUPG-VIFPVBQESA-N 1 1 306.388 -2.138 20 0 DAADMO CN(Cc1ccon1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001342094324 917776875 /nfs/dbraw/zinc/77/68/75/917776875.db2.gz CEJFKDIXUGKTOR-GFCCVEGCSA-N 1 1 309.370 -1.005 20 0 DAADMO CN(Cc1ccon1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001342094325 917777028 /nfs/dbraw/zinc/77/70/28/917777028.db2.gz CEJFKDIXUGKTOR-LBPRGKRZSA-N 1 1 309.370 -1.005 20 0 DAADMO C[C@@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)N1CCNCC1=O ZINC001342155927 917779651 /nfs/dbraw/zinc/77/96/51/917779651.db2.gz LJTKPPQDLVWFCP-ZDUSSCGKSA-N 1 1 311.430 -1.488 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC001342411453 917784771 /nfs/dbraw/zinc/78/47/71/917784771.db2.gz PMOMCCUVVYOTFT-WDEREUQCSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)n1 ZINC001342409516 917785133 /nfs/dbraw/zinc/78/51/33/917785133.db2.gz DJHSHLIDRAVECT-JTQLQIEISA-N 1 1 307.358 -1.477 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001342735250 917787920 /nfs/dbraw/zinc/78/79/20/917787920.db2.gz UJHRLDDSTCUHLL-GARJFASQSA-N 1 1 314.386 -1.585 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001342735250 917787931 /nfs/dbraw/zinc/78/79/31/917787931.db2.gz UJHRLDDSTCUHLL-GARJFASQSA-N 1 1 314.386 -1.585 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001342729744 917789039 /nfs/dbraw/zinc/78/90/39/917789039.db2.gz LGSZPAKRPMAAEK-XIRUVYRFSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 ZINC001342729744 917789053 /nfs/dbraw/zinc/78/90/53/917789053.db2.gz LGSZPAKRPMAAEK-XIRUVYRFSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCCCCC[NH+]1CCNCC1)[C@H]1CCS(=O)(=O)N1 ZINC001342680217 917789337 /nfs/dbraw/zinc/78/93/37/917789337.db2.gz YZNVBPKFCYZHHL-GFCCVEGCSA-N 1 1 318.443 -1.130 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1)[C@H]1C[N@H+](C)CCO1 ZINC001343131482 917796349 /nfs/dbraw/zinc/79/63/49/917796349.db2.gz QXFSIOXZFCAUMR-UUIJZJDISA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001343131482 917796350 /nfs/dbraw/zinc/79/63/50/917796350.db2.gz QXFSIOXZFCAUMR-UUIJZJDISA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001343131480 917797507 /nfs/dbraw/zinc/79/75/07/917797507.db2.gz QXFSIOXZFCAUMR-JUFZMCDQSA-N 1 1 311.382 -1.338 20 0 DAADMO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@]2(CO)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001343131480 917797518 /nfs/dbraw/zinc/79/75/18/917797518.db2.gz QXFSIOXZFCAUMR-JUFZMCDQSA-N 1 1 311.382 -1.338 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001343269901 917801089 /nfs/dbraw/zinc/80/10/89/917801089.db2.gz CZPKRGXVINGGRD-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001343489082 917810719 /nfs/dbraw/zinc/81/07/19/917810719.db2.gz WONNFJXGYGMLSC-ZJUUUORDSA-N 1 1 305.338 -1.054 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001343606591 917811260 /nfs/dbraw/zinc/81/12/60/917811260.db2.gz ZNUGXIFNXMMFJW-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnnn1C ZINC001343515626 917811713 /nfs/dbraw/zinc/81/17/13/917811713.db2.gz BOBYOHQEWLVQNY-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO CN(CCCNC(=O)C(=O)Nc1cnnn1C)CC[NH+](C)C ZINC001343515626 917811729 /nfs/dbraw/zinc/81/17/29/917811729.db2.gz BOBYOHQEWLVQNY-UHFFFAOYSA-N 1 1 311.390 -1.247 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@H+](CCNS(C)(=O)=O)C1 ZINC001343904665 917817414 /nfs/dbraw/zinc/81/74/14/917817414.db2.gz GIHNCMXZBVDYOJ-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCNS(C)(=O)=O)C1 ZINC001343904665 917817423 /nfs/dbraw/zinc/81/74/23/917817423.db2.gz GIHNCMXZBVDYOJ-NWDGAFQWSA-N 1 1 310.416 -1.119 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001344070182 917818728 /nfs/dbraw/zinc/81/87/28/917818728.db2.gz WERRBDDBRZLEPI-ZDUSSCGKSA-N 1 1 309.326 -1.398 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185158 917823507 /nfs/dbraw/zinc/82/35/07/917823507.db2.gz NFWZAXQTZJYAFG-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001344185158 917823525 /nfs/dbraw/zinc/82/35/25/917823525.db2.gz NFWZAXQTZJYAFG-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001344549557 917831216 /nfs/dbraw/zinc/83/12/16/917831216.db2.gz PUQGZUOFOXTESS-DTWKUNHWSA-N 1 1 304.372 -1.703 20 0 DAADMO NS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001344549557 917831227 /nfs/dbraw/zinc/83/12/27/917831227.db2.gz PUQGZUOFOXTESS-DTWKUNHWSA-N 1 1 304.372 -1.703 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001344795376 917832343 /nfs/dbraw/zinc/83/23/43/917832343.db2.gz JBHAEWGQDIHGKY-UHFFFAOYSA-N 1 1 311.346 -2.335 20 0 DAADMO CCN1CCN(CC(=O)Nc2cc3n(n2)CC[NH2+]C3)C(=O)C1=O ZINC001345454227 917843549 /nfs/dbraw/zinc/84/35/49/917843549.db2.gz SPTXEJNGDWKQNA-UHFFFAOYSA-N 1 1 320.353 -1.385 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC001345459343 917845228 /nfs/dbraw/zinc/84/52/28/917845228.db2.gz WAJCEZUFJZENSL-PHIMTYICSA-N 1 1 315.370 -1.251 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CCO ZINC001345288779 917845477 /nfs/dbraw/zinc/84/54/77/917845477.db2.gz QQDNGXQORYDYDD-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC001345578653 917846993 /nfs/dbraw/zinc/84/69/93/917846993.db2.gz QMCNNIYGGADOFB-JTQLQIEISA-N 1 1 300.359 -1.972 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC001345578660 917847030 /nfs/dbraw/zinc/84/70/30/917847030.db2.gz QMCNNIYGGADOFB-SNVBAGLBSA-N 1 1 300.359 -1.972 20 0 DAADMO COCCCNC(=O)CN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001345691178 917850703 /nfs/dbraw/zinc/85/07/03/917850703.db2.gz JOAAXSIGQUSRNL-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COCCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC001345605885 917850823 /nfs/dbraw/zinc/85/08/23/917850823.db2.gz LHUQSLYCRVYZSM-HUUCEWRRSA-N 1 1 300.447 -1.095 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)C1CC1 ZINC001345689015 917851798 /nfs/dbraw/zinc/85/17/98/917851798.db2.gz QOLQNRVMZXUBDJ-NSHDSACASA-N 1 1 324.381 -1.150 20 0 DAADMO COCC[NH2+]CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001345767302 917856104 /nfs/dbraw/zinc/85/61/04/917856104.db2.gz NBBNCLXNIGVTMZ-AWEZNQCLSA-N 1 1 314.430 -1.255 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1O ZINC001345799316 917859354 /nfs/dbraw/zinc/85/93/54/917859354.db2.gz KUSBVLJNEOWAQX-ZJUUUORDSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001345858882 917861551 /nfs/dbraw/zinc/86/15/51/917861551.db2.gz ZMUYASOCTSBGPS-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001345858796 917862783 /nfs/dbraw/zinc/86/27/83/917862783.db2.gz XYBLTOYZZCDKOS-LBPRGKRZSA-N 1 1 313.402 -2.057 20 0 DAADMO [NH3+]CCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001345957984 917866076 /nfs/dbraw/zinc/86/60/76/917866076.db2.gz FYQIMKTUIUGKCO-QWHCGFSZSA-N 1 1 312.414 -1.101 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCNS(C)(=O)=O ZINC001346152535 917872532 /nfs/dbraw/zinc/87/25/32/917872532.db2.gz IXBXIOAXWNRLQY-MNOVXSKESA-N 1 1 304.416 -1.570 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC001346154162 917875116 /nfs/dbraw/zinc/87/51/16/917875116.db2.gz ZTLUMRLXBHFLNG-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001346257237 917880545 /nfs/dbraw/zinc/88/05/45/917880545.db2.gz WVAXPVXYRMITBM-GHMZBOCLSA-N 1 1 321.381 -1.425 20 0 DAADMO COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001346357205 917882504 /nfs/dbraw/zinc/88/25/04/917882504.db2.gz HDCCDTVWVZEHSU-ZPMVXHMNSA-N 1 1 317.411 -1.587 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001346357205 917882520 /nfs/dbraw/zinc/88/25/20/917882520.db2.gz HDCCDTVWVZEHSU-ZPMVXHMNSA-N 1 1 317.411 -1.587 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001346315138 917883901 /nfs/dbraw/zinc/88/39/01/917883901.db2.gz HWECZFZYHPWHRW-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO COc1nn(C)cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346456717 917889939 /nfs/dbraw/zinc/88/99/39/917889939.db2.gz AJNPUNZVIUCHOD-VHSXEESVSA-N 1 1 323.353 -1.355 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001346519278 917893013 /nfs/dbraw/zinc/89/30/13/917893013.db2.gz IAFHTUADALXENE-JQWIXIFHSA-N 1 1 306.370 -1.356 20 0 DAADMO O=C1C[C@@H](N2CC[NH+]([C@H]3CCOC3)CC2)C(=O)N1CCCO ZINC001346626070 917894502 /nfs/dbraw/zinc/89/45/02/917894502.db2.gz QXCTYJQQDAPOQJ-QWHCGFSZSA-N 1 1 311.382 -1.097 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001346770383 917898344 /nfs/dbraw/zinc/89/83/44/917898344.db2.gz QKZASLSSYDLAGZ-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)[C@H]2C1 ZINC001346804273 917898769 /nfs/dbraw/zinc/89/87/69/917898769.db2.gz YJWPECNVZJCKJT-LPEHRKFASA-N 1 1 307.354 -1.070 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)OC ZINC001347071062 917909442 /nfs/dbraw/zinc/90/94/42/917909442.db2.gz MAYGHVHCCXRVTB-WOPDTQHZSA-N 1 1 317.386 -1.401 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001347071062 917909452 /nfs/dbraw/zinc/90/94/52/917909452.db2.gz MAYGHVHCCXRVTB-WOPDTQHZSA-N 1 1 317.386 -1.401 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)OC ZINC001347071061 917909980 /nfs/dbraw/zinc/90/99/80/917909980.db2.gz MAYGHVHCCXRVTB-SRVKXCTJSA-N 1 1 317.386 -1.401 20 0 DAADMO COC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)OC ZINC001347071061 917909984 /nfs/dbraw/zinc/90/99/84/917909984.db2.gz MAYGHVHCCXRVTB-SRVKXCTJSA-N 1 1 317.386 -1.401 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001347189754 917911682 /nfs/dbraw/zinc/91/16/82/917911682.db2.gz GETMVVLMPSISAB-WISYIIOYSA-N 1 1 306.366 -1.552 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001347484577 917920612 /nfs/dbraw/zinc/92/06/12/917920612.db2.gz AQFNMGHRUKDWIF-RSUWNVLCSA-N 1 1 323.393 -1.051 20 0 DAADMO CCN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@@H+](C)C1 ZINC001347644083 917923371 /nfs/dbraw/zinc/92/33/71/917923371.db2.gz PAUDRODBBRWGIX-QWRGUYRKSA-N 1 1 324.381 -1.197 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC001347915561 917926307 /nfs/dbraw/zinc/92/63/07/917926307.db2.gz AZHKTOGQSOORDH-QWRGUYRKSA-N 1 1 310.354 -1.092 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+](C)CCOCCO ZINC001348131931 917928579 /nfs/dbraw/zinc/92/85/79/917928579.db2.gz MHLCWNSYOYMKIG-KBPBESRZSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131931 917928590 /nfs/dbraw/zinc/92/85/90/917928590.db2.gz MHLCWNSYOYMKIG-KBPBESRZSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CCN1C[C@H]2C(=O)NCC[N@H+](C)CCOCCO ZINC001348131931 917928618 /nfs/dbraw/zinc/92/86/18/917928618.db2.gz MHLCWNSYOYMKIG-KBPBESRZSA-N 1 1 314.430 -1.568 20 0 DAADMO C[C@H]1CN2CCN1C[C@H]2C(=O)NCC[N@@H+](C)CCOCCO ZINC001348131931 917928626 /nfs/dbraw/zinc/92/86/26/917928626.db2.gz MHLCWNSYOYMKIG-KBPBESRZSA-N 1 1 314.430 -1.568 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC2)CC1 ZINC001348107916 917929100 /nfs/dbraw/zinc/92/91/00/917929100.db2.gz RIXRURFTKDKZOP-GFCCVEGCSA-N 1 1 308.382 -1.016 20 0 DAADMO COC(=O)[C@@]1(N2CC[NH+](CCOCCO)CC2)CCOC1 ZINC001348189834 917929235 /nfs/dbraw/zinc/92/92/35/917929235.db2.gz UVWHUMZXGYPIHL-CQSZACIVSA-N 1 1 302.371 -1.055 20 0 DAADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(O)C2)CC1 ZINC001348213689 917933766 /nfs/dbraw/zinc/93/37/66/917933766.db2.gz JXSZNLYCQRTJKY-OAHLLOKOSA-N 1 1 313.398 -1.115 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C[C@H](C)[N@H+]1C ZINC001348366324 917940990 /nfs/dbraw/zinc/94/09/90/917940990.db2.gz SLSDONYEFROSFL-TUAOUCFPSA-N 1 1 323.397 -1.227 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)C[C@H](C)[N@@H+]1C ZINC001348366324 917941002 /nfs/dbraw/zinc/94/10/02/917941002.db2.gz SLSDONYEFROSFL-TUAOUCFPSA-N 1 1 323.397 -1.227 20 0 DAADMO CCn1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c1=O ZINC001348376673 917941829 /nfs/dbraw/zinc/94/18/29/917941829.db2.gz ALOQNSFJJDOGRP-NSHDSACASA-N 1 1 322.365 -1.011 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)CNC(=O)OC)C1 ZINC001348556016 917953635 /nfs/dbraw/zinc/95/36/35/917953635.db2.gz GKBGIVZYPUQUJB-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CNC(=O)OC)C1 ZINC001348556016 917953646 /nfs/dbraw/zinc/95/36/46/917953646.db2.gz GKBGIVZYPUQUJB-JTQLQIEISA-N 1 1 316.358 -1.705 20 0 DAADMO COCC(=O)NCCC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001348647174 917959550 /nfs/dbraw/zinc/95/95/50/917959550.db2.gz ICBLMYADIATTOZ-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C(=O)NCC(F)F ZINC001348648148 917962456 /nfs/dbraw/zinc/96/24/56/917962456.db2.gz JKUYGEDXHXRHEY-QMMMGPOBSA-N 1 1 306.313 -1.306 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001348701792 917964243 /nfs/dbraw/zinc/96/42/43/917964243.db2.gz RKFKACRDAUWPHL-IUCAKERBSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001348701792 917964257 /nfs/dbraw/zinc/96/42/57/917964257.db2.gz RKFKACRDAUWPHL-IUCAKERBSA-N 1 1 301.347 -2.394 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[N@@H+](C)C1 ZINC001348726180 917964306 /nfs/dbraw/zinc/96/43/06/917964306.db2.gz CXYGICSBEBXQHF-JTQLQIEISA-N 1 1 311.338 -1.301 20 0 DAADMO COCCO[C@H](C)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001348702973 917964520 /nfs/dbraw/zinc/96/45/20/917964520.db2.gz ZOHFHGITCLHAPX-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCO[C@H](C)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001348702973 917964541 /nfs/dbraw/zinc/96/45/41/917964541.db2.gz ZOHFHGITCLHAPX-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCO[C@@H](C)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001348702969 917964920 /nfs/dbraw/zinc/96/49/20/917964920.db2.gz ZOHFHGITCLHAPX-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCO[C@@H](C)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001348702969 917964941 /nfs/dbraw/zinc/96/49/41/917964941.db2.gz ZOHFHGITCLHAPX-NWDGAFQWSA-N 1 1 317.386 -1.399 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cc[nH]n2)C1 ZINC001348690529 917966533 /nfs/dbraw/zinc/96/65/33/917966533.db2.gz ALMLYMHAHAEWDE-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cc[nH]n2)C1 ZINC001348690529 917966543 /nfs/dbraw/zinc/96/65/43/917966543.db2.gz ALMLYMHAHAEWDE-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO Cc1c(C(=O)NCCNC(=O)CC[NH+]2CCOCC2)nnn1C ZINC001348700767 917966705 /nfs/dbraw/zinc/96/67/05/917966705.db2.gz KCLFDGZIUGXRKT-UHFFFAOYSA-N 1 1 324.385 -1.308 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001348746407 917969698 /nfs/dbraw/zinc/96/96/98/917969698.db2.gz DIVHGBDTFXDSCQ-SMDDNHRTSA-N 1 1 311.382 -1.146 20 0 DAADMO CNC(=O)NCCC(=O)NCCNC(=O)C[N@@H+](C)C(C)C ZINC001348906669 917978703 /nfs/dbraw/zinc/97/87/03/917978703.db2.gz DCTJEBIYWDLMDN-UHFFFAOYSA-N 1 1 301.391 -1.122 20 0 DAADMO CN1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)CC1 ZINC001348971846 917984893 /nfs/dbraw/zinc/98/48/93/917984893.db2.gz GUJGGGJANRGQEG-GFCCVEGCSA-N 1 1 305.444 -1.239 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001349024143 917987806 /nfs/dbraw/zinc/98/78/06/917987806.db2.gz LNEJCWZVNVYNIZ-GHMZBOCLSA-N 1 1 317.411 -1.252 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001349021821 917987867 /nfs/dbraw/zinc/98/78/67/917987867.db2.gz AAWMNMRSQINYEM-LLVKDONJSA-N 1 1 323.401 -1.019 20 0 DAADMO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCNCC1)C2=O ZINC001349110787 917995023 /nfs/dbraw/zinc/99/50/23/917995023.db2.gz GAJBYMXISWYUCE-XHDPSFHLSA-N 1 1 323.397 -1.142 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2nc[nH]n2)C1 ZINC001349126904 917996337 /nfs/dbraw/zinc/99/63/37/917996337.db2.gz XMNXRJWRWMFOBO-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)Cc2nc[nH]n2)C1 ZINC001349126904 917996342 /nfs/dbraw/zinc/99/63/42/917996342.db2.gz XMNXRJWRWMFOBO-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC001349177232 917997684 /nfs/dbraw/zinc/99/76/84/917997684.db2.gz WDSDTCCKUQDZSU-VWYCJHECSA-N 1 1 307.354 -1.863 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001349173899 917997703 /nfs/dbraw/zinc/99/77/03/917997703.db2.gz NNTMJSLESRANIQ-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001349173898 917998935 /nfs/dbraw/zinc/99/89/35/917998935.db2.gz NNTMJSLESRANIQ-LLVKDONJSA-N 1 1 319.427 -1.005 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCCNC(=O)C1 ZINC001349223130 918002841 /nfs/dbraw/zinc/00/28/41/918002841.db2.gz LJWFOWYLEMFRGF-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO Cn1cc(C(=O)NCCNC(=O)[C@H]2CCC[N@H+]2C)n(C)c1=O ZINC001349209638 918004455 /nfs/dbraw/zinc/00/44/55/918004455.db2.gz YDYFZIKZIXYDCM-SNVBAGLBSA-N 1 1 309.370 -1.336 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349243027 918006578 /nfs/dbraw/zinc/00/65/78/918006578.db2.gz ADZQHODUYIPFLE-MNOVXSKESA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001349286953 918007942 /nfs/dbraw/zinc/00/79/42/918007942.db2.gz DASQOEDAJZNBHH-MNOVXSKESA-N 1 1 324.381 -1.244 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001349286955 918009125 /nfs/dbraw/zinc/00/91/25/918009125.db2.gz DASQOEDAJZNBHH-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO Cn1nnc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001349301834 918011549 /nfs/dbraw/zinc/01/15/49/918011549.db2.gz OIVXMNHHNUIDBT-VHSXEESVSA-N 1 1 307.358 -1.621 20 0 DAADMO CN1C[C@@H](C(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)NC1=O ZINC001349379526 918014334 /nfs/dbraw/zinc/01/43/34/918014334.db2.gz PKAHHBVSGUFTPP-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001349398202 918016827 /nfs/dbraw/zinc/01/68/27/918016827.db2.gz GFFDUUSULBBQSN-JTQLQIEISA-N 1 1 303.388 -1.264 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nnc[nH]2)C1 ZINC001349483816 918020316 /nfs/dbraw/zinc/02/03/16/918020316.db2.gz VGEXKKMUNDCWOK-JTQLQIEISA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CCn2cnnn2)C1 ZINC001349515867 918023259 /nfs/dbraw/zinc/02/32/59/918023259.db2.gz WIGFTVSGNHKAEE-LLVKDONJSA-N 1 1 309.374 -1.363 20 0 DAADMO CC(=O)N(C)CC(=O)NCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001349721953 918032778 /nfs/dbraw/zinc/03/27/78/918032778.db2.gz BIGIGMMZIFJYSC-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)N(C)CC(=O)NCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001349721953 918032795 /nfs/dbraw/zinc/03/27/95/918032795.db2.gz BIGIGMMZIFJYSC-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCOCC3)C[C@H]2C1=O ZINC001349689060 918033978 /nfs/dbraw/zinc/03/39/78/918033978.db2.gz GAKLTUOLDHYVLR-SDDRHHMPSA-N 1 1 312.366 -1.175 20 0 DAADMO Cc1nccc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001349876042 918040179 /nfs/dbraw/zinc/04/01/79/918040179.db2.gz BRDVQPMKCSREMM-QWHCGFSZSA-N 1 1 319.365 -1.321 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001349856880 918040341 /nfs/dbraw/zinc/04/03/41/918040341.db2.gz UVLNYDGWLKVDQD-NXEZZACHSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001349856880 918040356 /nfs/dbraw/zinc/04/03/56/918040356.db2.gz UVLNYDGWLKVDQD-NXEZZACHSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001349856881 918041863 /nfs/dbraw/zinc/04/18/63/918041863.db2.gz UVLNYDGWLKVDQD-UWVGGRQHSA-N 1 1 313.358 -2.379 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001349856881 918041880 /nfs/dbraw/zinc/04/18/80/918041880.db2.gz UVLNYDGWLKVDQD-UWVGGRQHSA-N 1 1 313.358 -2.379 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001350004874 918047210 /nfs/dbraw/zinc/04/72/10/918047210.db2.gz MEVBEJGUUBDNIS-OLZOCXBDSA-N 1 1 311.430 -1.312 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001350405217 918061970 /nfs/dbraw/zinc/06/19/70/918061970.db2.gz LCMHKJVQFLRWRY-GFCCVEGCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001350577928 918068042 /nfs/dbraw/zinc/06/80/42/918068042.db2.gz AWILZQRYLLWKQS-UHFFFAOYSA-N 1 1 311.430 -1.438 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1C[N@H+](C)CCO1 ZINC001350823361 918076022 /nfs/dbraw/zinc/07/60/22/918076022.db2.gz RLXUBGBTSFONSS-ZYHUDNBSSA-N 1 1 324.385 -1.391 20 0 DAADMO C[C@@H](NC(=O)C(=O)N(C)Cc1cn(C)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC001350823361 918076037 /nfs/dbraw/zinc/07/60/37/918076037.db2.gz RLXUBGBTSFONSS-ZYHUDNBSSA-N 1 1 324.385 -1.391 20 0 DAADMO COCCCNC(=O)[C@@H](C)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC001351118297 918084197 /nfs/dbraw/zinc/08/41/97/918084197.db2.gz NDLASALYOYHTJM-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO CN(CCCNC(=O)Cn1cnnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001351226623 918086259 /nfs/dbraw/zinc/08/62/59/918086259.db2.gz ZEGYXJVLSYFUKR-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNC(=O)Cn1cnnn1 ZINC001351225879 918087162 /nfs/dbraw/zinc/08/71/62/918087162.db2.gz QPFFLOQJRHTWAN-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CN(CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001351350237 918089562 /nfs/dbraw/zinc/08/95/62/918089562.db2.gz CYKVILTYUJBVGL-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001351350237 918089574 /nfs/dbraw/zinc/08/95/74/918089574.db2.gz CYKVILTYUJBVGL-JTQLQIEISA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001351350241 918090480 /nfs/dbraw/zinc/09/04/80/918090480.db2.gz CYKVILTYUJBVGL-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO CN(CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001351350241 918090495 /nfs/dbraw/zinc/09/04/95/918090495.db2.gz CYKVILTYUJBVGL-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001351550546 918095106 /nfs/dbraw/zinc/09/51/06/918095106.db2.gz GLJVVCUQSYRZIZ-LBPRGKRZSA-N 1 1 310.398 -1.166 20 0 DAADMO CN1CC(=O)N(CCCC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1=O ZINC001351654054 918102300 /nfs/dbraw/zinc/10/23/00/918102300.db2.gz SFGOUWMODLZRAO-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CN1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@H+](C)CC1 ZINC001351841235 918108866 /nfs/dbraw/zinc/10/88/66/918108866.db2.gz CLZQUEQBNVZBIT-UHFFFAOYSA-N 1 1 304.416 -1.487 20 0 DAADMO CN1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC[N@@H+](C)CC1 ZINC001351841235 918108874 /nfs/dbraw/zinc/10/88/74/918108874.db2.gz CLZQUEQBNVZBIT-UHFFFAOYSA-N 1 1 304.416 -1.487 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCNC(=O)CC3)CC[C@@H]21 ZINC001351836378 918109158 /nfs/dbraw/zinc/10/91/58/918109158.db2.gz PKKDGDPKVPXSLC-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001351872479 918111693 /nfs/dbraw/zinc/11/16/93/918111693.db2.gz BUWVWLBGAITUOU-NSHDSACASA-N 1 1 322.369 -1.162 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001351872478 918112788 /nfs/dbraw/zinc/11/27/88/918112788.db2.gz BUWVWLBGAITUOU-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCNCC3)CC2)CC1 ZINC001351982521 918115361 /nfs/dbraw/zinc/11/53/61/918115361.db2.gz HUWVZQLOVGRBDP-UHFFFAOYSA-N 1 1 323.441 -1.343 20 0 DAADMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCNC(=O)C3)C2)C1 ZINC001352176455 918117380 /nfs/dbraw/zinc/11/73/80/918117380.db2.gz VPHKHOXKTKXCMT-OAHLLOKOSA-N 1 1 308.382 -1.111 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1cc(CO)nn1 ZINC001352209820 918118768 /nfs/dbraw/zinc/11/87/68/918118768.db2.gz QLPJPLVJUNZKAP-YPMHNXCESA-N 1 1 308.386 -1.335 20 0 DAADMO CONC(=O)C1CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC001352945576 918137390 /nfs/dbraw/zinc/13/73/90/918137390.db2.gz SESLKTHEFIZGNG-SNVBAGLBSA-N 1 1 314.386 -1.031 20 0 DAADMO CCOCCNC(=O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001353353875 918151269 /nfs/dbraw/zinc/15/12/69/918151269.db2.gz LVQQHIBMLHCLFK-UHFFFAOYSA-N 1 1 304.387 -1.025 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)no1 ZINC001353462178 918151955 /nfs/dbraw/zinc/15/19/55/918151955.db2.gz MBDSMVKQEPCBJE-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001353586628 918154177 /nfs/dbraw/zinc/15/41/77/918154177.db2.gz FEUNHHZVBGQFHP-GMTAPVOTSA-N 1 1 324.381 -1.654 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001353586628 918154189 /nfs/dbraw/zinc/15/41/89/918154189.db2.gz FEUNHHZVBGQFHP-GMTAPVOTSA-N 1 1 324.381 -1.654 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC001353688512 918156228 /nfs/dbraw/zinc/15/62/28/918156228.db2.gz XBYMSZRPIULBNR-DGAVXFQQSA-N 1 1 324.425 -1.422 20 0 DAADMO COC(=O)[C@@H](F)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001353862231 918162418 /nfs/dbraw/zinc/16/24/18/918162418.db2.gz JHPMIVGKRAMIPV-VIFPVBQESA-N 1 1 321.374 -1.221 20 0 DAADMO Cn1cc(S(=O)(=O)NCCN2CCNCC[NH2+]CC2)cn1 ZINC001354184700 918168922 /nfs/dbraw/zinc/16/89/22/918168922.db2.gz LJTRBZPGFLTNSF-UHFFFAOYSA-N 1 1 316.431 -1.807 20 0 DAADMO COc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1C(N)=O ZINC001354435599 918176640 /nfs/dbraw/zinc/17/66/40/918176640.db2.gz UJFLECSNHCWYME-MRVPVSSYSA-N 1 1 321.337 -1.052 20 0 DAADMO CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001354469034 918179529 /nfs/dbraw/zinc/17/95/29/918179529.db2.gz KVSRAAPKCGBWKE-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001354738416 918187630 /nfs/dbraw/zinc/18/76/30/918187630.db2.gz BHYYUVAZHBSWNC-SNVBAGLBSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC001354738416 918187636 /nfs/dbraw/zinc/18/76/36/918187636.db2.gz BHYYUVAZHBSWNC-SNVBAGLBSA-N 1 1 317.411 -1.252 20 0 DAADMO CONC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC001354914740 918192509 /nfs/dbraw/zinc/19/25/09/918192509.db2.gz JZKBAAYNNWVFCI-NSHDSACASA-N 1 1 312.370 -1.277 20 0 DAADMO CONC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC001354914740 918192523 /nfs/dbraw/zinc/19/25/23/918192523.db2.gz JZKBAAYNNWVFCI-NSHDSACASA-N 1 1 312.370 -1.277 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C[C@H]2C1=O ZINC001354917614 918193325 /nfs/dbraw/zinc/19/33/25/918193325.db2.gz ZYVZMQSKJGKSKN-LPEHRKFASA-N 1 1 308.338 -2.120 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C[C@H]2C1=O ZINC001354917614 918193329 /nfs/dbraw/zinc/19/33/29/918193329.db2.gz ZYVZMQSKJGKSKN-LPEHRKFASA-N 1 1 308.338 -2.120 20 0 DAADMO CN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[C@@H]1CCNC1=O ZINC001356282746 918221869 /nfs/dbraw/zinc/22/18/69/918221869.db2.gz YAZQEZYOMDQPJD-FIXISWKDSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[C@H]1CCNC1=O ZINC001356282748 918222230 /nfs/dbraw/zinc/22/22/30/918222230.db2.gz YAZQEZYOMDQPJD-ZIBATOQPSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001356718283 918237519 /nfs/dbraw/zinc/23/75/19/918237519.db2.gz KQDZELBRLAWLLC-LLVKDONJSA-N 1 1 307.354 -1.016 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001356776764 918245740 /nfs/dbraw/zinc/24/57/40/918245740.db2.gz COMAKFBEHDEYON-UHFFFAOYSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[C@@H](CNC(=O)CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001356875684 918258567 /nfs/dbraw/zinc/25/85/67/918258567.db2.gz VTSIRXUEROQHGV-NSHDSACASA-N 1 1 314.386 -1.405 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099420 918274187 /nfs/dbraw/zinc/27/41/87/918274187.db2.gz AVPIXAGGWFZHIX-GHMZBOCLSA-N 1 1 314.386 -1.551 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)C)C1 ZINC001357099420 918274189 /nfs/dbraw/zinc/27/41/89/918274189.db2.gz AVPIXAGGWFZHIX-GHMZBOCLSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)CC(N)=O)C1 ZINC001357400508 918286994 /nfs/dbraw/zinc/28/69/94/918286994.db2.gz STKYRAFGKZFQJA-VHSXEESVSA-N 1 1 300.359 -2.203 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC/C=C\CNC(=O)Cn1cnnn1 ZINC001357553913 918299227 /nfs/dbraw/zinc/29/92/27/918299227.db2.gz CHTYYFVFANJNHY-IHWYPQMZSA-N 1 1 318.341 -1.333 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)Cn2nccn2)C1 ZINC001357695408 918304504 /nfs/dbraw/zinc/30/45/04/918304504.db2.gz HRVPJLYGCJVBSG-ZZKXABKFSA-N 1 1 322.369 -1.603 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC/C=C\CNC(=O)Cn2nccn2)C1 ZINC001357695408 918304522 /nfs/dbraw/zinc/30/45/22/918304522.db2.gz HRVPJLYGCJVBSG-ZZKXABKFSA-N 1 1 322.369 -1.603 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNC(=O)c1nnn(C)n1 ZINC001357899436 918308126 /nfs/dbraw/zinc/30/81/26/918308126.db2.gz LHHYVASDHRBXQR-WAYWQWQTSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CN1C(=O)CCC1=O ZINC001358150299 918317623 /nfs/dbraw/zinc/31/76/23/918317623.db2.gz NIRWPWKWUHEMCS-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cc[n+]([O-])cc1 ZINC001358429249 918320678 /nfs/dbraw/zinc/32/06/78/918320678.db2.gz DGYWBLMYDIABCC-AAEUAGOBSA-N 1 1 322.365 -1.115 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cc[n+]([O-])cc1 ZINC001358429249 918320692 /nfs/dbraw/zinc/32/06/92/918320692.db2.gz DGYWBLMYDIABCC-AAEUAGOBSA-N 1 1 322.365 -1.115 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)C2(C(N)=O)CC2)C1 ZINC001358635664 918336342 /nfs/dbraw/zinc/33/63/42/918336342.db2.gz KHFQAVZUBWCUJA-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001361692699 918391837 /nfs/dbraw/zinc/39/18/37/918391837.db2.gz VYARCYVVGBGEED-UHFFFAOYSA-N 1 1 316.383 -1.030 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC001361763053 918402281 /nfs/dbraw/zinc/40/22/81/918402281.db2.gz RRBNIALLAQSLMU-PWSUYJOCSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001361763053 918402291 /nfs/dbraw/zinc/40/22/91/918402291.db2.gz RRBNIALLAQSLMU-PWSUYJOCSA-N 1 1 320.353 -1.274 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001361800481 918407296 /nfs/dbraw/zinc/40/72/96/918407296.db2.gz MISLGQGMYZZJNX-LLVKDONJSA-N 1 1 323.401 -1.481 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[C@@H]1CCC[C@H]1O ZINC001361831239 918412956 /nfs/dbraw/zinc/41/29/56/918412956.db2.gz SDKBAVQUHSRRJR-IJLUTSLNSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001361951375 918431594 /nfs/dbraw/zinc/43/15/94/918431594.db2.gz GKCDHQAUONQPKE-GHMZBOCLSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001361983601 918435712 /nfs/dbraw/zinc/43/57/12/918435712.db2.gz UUKNJJIHUCDADC-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001361983601 918435742 /nfs/dbraw/zinc/43/57/42/918435742.db2.gz UUKNJJIHUCDADC-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H]1CN(C)CC[N@H+]1C ZINC001361983601 918435755 /nfs/dbraw/zinc/43/57/55/918435755.db2.gz UUKNJJIHUCDADC-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001361983598 918436545 /nfs/dbraw/zinc/43/65/45/918436545.db2.gz UUKNJJIHUCDADC-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1CN(C)CC[N@@H+]1C ZINC001361983598 918436555 /nfs/dbraw/zinc/43/65/55/918436555.db2.gz UUKNJJIHUCDADC-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H]1CN(C)CC[N@H+]1C ZINC001361983598 918436566 /nfs/dbraw/zinc/43/65/66/918436566.db2.gz UUKNJJIHUCDADC-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001362059873 918451539 /nfs/dbraw/zinc/45/15/39/918451539.db2.gz QROKJVHWZWHCEN-QJPTWQEYSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001362128983 918464538 /nfs/dbraw/zinc/46/45/38/918464538.db2.gz OVFUURZFLIQZHE-SFYZADRCSA-N 1 1 310.358 -1.166 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NCC[NH+]1CCSCC1 ZINC001362141260 918466839 /nfs/dbraw/zinc/46/68/39/918466839.db2.gz WTZBXTJMMWMZFH-UHFFFAOYSA-N 1 1 319.412 -1.164 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001362142242 918468071 /nfs/dbraw/zinc/46/80/71/918468071.db2.gz GPLTZJKFDYZOBF-LBPRGKRZSA-N 1 1 308.386 -1.049 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001362152891 918468188 /nfs/dbraw/zinc/46/81/88/918468188.db2.gz RYDXTZONAOIELK-RYUDHWBXSA-N 1 1 320.459 -1.078 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001362168842 918469595 /nfs/dbraw/zinc/46/95/95/918469595.db2.gz HQMMFBRKJZPJBO-VIFPVBQESA-N 1 1 323.353 -1.400 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001362168842 918469603 /nfs/dbraw/zinc/46/96/03/918469603.db2.gz HQMMFBRKJZPJBO-VIFPVBQESA-N 1 1 323.353 -1.400 20 0 DAADMO COC(=O)Cc1nc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)n[nH]1 ZINC001362163848 918469734 /nfs/dbraw/zinc/46/97/34/918469734.db2.gz WNSHGINYCBVJGV-BDAKNGLRSA-N 1 1 308.342 -1.153 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1-n1cnnc1 ZINC001362303922 918494150 /nfs/dbraw/zinc/49/41/50/918494150.db2.gz YAUWJGZQIKOYCP-CYBMUJFWSA-N 1 1 305.342 -1.203 20 0 DAADMO Cc1cn2nnc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2c(=O)[nH]1 ZINC001362317078 918497122 /nfs/dbraw/zinc/49/71/22/918497122.db2.gz AZBGGWNYAUNPKU-CYBMUJFWSA-N 1 1 306.326 -1.065 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](CO)NC(N)=O ZINC001362367906 918506969 /nfs/dbraw/zinc/50/69/69/918506969.db2.gz NCYDYXLUSGKODO-MNOVXSKESA-N 1 1 301.391 -1.842 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(N)=O ZINC001362449159 918524134 /nfs/dbraw/zinc/52/41/34/918524134.db2.gz IBXQPLMJXPCLCO-UMNHJUIQSA-N 1 1 314.386 -1.720 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001362456972 918525621 /nfs/dbraw/zinc/52/56/21/918525621.db2.gz ZVOUDMUXBBTWMQ-OLZOCXBDSA-N 1 1 320.411 -1.501 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC1 ZINC001362509016 918535621 /nfs/dbraw/zinc/53/56/21/918535621.db2.gz GOYVBTYWNSJECL-QMMMGPOBSA-N 1 1 311.342 -1.001 20 0 DAADMO Cn1cnnc1COCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001362521865 918538168 /nfs/dbraw/zinc/53/81/68/918538168.db2.gz LOSOYSHEGNITJG-NWDGAFQWSA-N 1 1 309.370 -1.001 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001362513731 918538410 /nfs/dbraw/zinc/53/84/10/918538410.db2.gz KFSNTNHTZLZBDB-CHWSQXEVSA-N 1 1 310.398 -1.404 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001362542841 918543650 /nfs/dbraw/zinc/54/36/50/918543650.db2.gz PRPDFIYTSQLAPP-JTQLQIEISA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001362542841 918543658 /nfs/dbraw/zinc/54/36/58/918543658.db2.gz PRPDFIYTSQLAPP-JTQLQIEISA-N 1 1 300.359 -2.236 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001362548234 918546568 /nfs/dbraw/zinc/54/65/68/918546568.db2.gz GKAXGVCJZJNRFV-DMDPSCGWSA-N 1 1 319.427 -1.031 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)C(N)=O ZINC001362570784 918551584 /nfs/dbraw/zinc/55/15/84/918551584.db2.gz VZJDUQRAEZMUML-FOGDFJRCSA-N 1 1 314.386 -1.720 20 0 DAADMO C[C@@H](CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)NC(N)=O ZINC001362683700 918574921 /nfs/dbraw/zinc/57/49/21/918574921.db2.gz UNEAJFWJIAFOLS-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@@H](CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)NC(N)=O ZINC001362683700 918574930 /nfs/dbraw/zinc/57/49/30/918574930.db2.gz UNEAJFWJIAFOLS-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)NC(N)=O ZINC001362683704 918575561 /nfs/dbraw/zinc/57/55/61/918575561.db2.gz UNEAJFWJIAFOLS-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@H](CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)NC(N)=O ZINC001362683704 918575575 /nfs/dbraw/zinc/57/55/75/918575575.db2.gz UNEAJFWJIAFOLS-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)C1(n2cnnn2)CCCCC1 ZINC001362773371 918600801 /nfs/dbraw/zinc/60/08/01/918600801.db2.gz JGHQSHZPDVNWNJ-ZDUSSCGKSA-N 1 1 324.385 -1.200 20 0 DAADMO O=C(C[C@H]1CCCS1(=O)=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001362773274 918602050 /nfs/dbraw/zinc/60/20/50/918602050.db2.gz IWULECJFTJYTRF-ZYHUDNBSSA-N 1 1 306.384 -1.579 20 0 DAADMO O=C(Cc1nc2ncccn2n1)NC[C@]1(CO)COCC[NH2+]1 ZINC001362771443 918602477 /nfs/dbraw/zinc/60/24/77/918602477.db2.gz CVQBTPAHVWEENZ-ZDUSSCGKSA-N 1 1 306.326 -1.866 20 0 DAADMO CN(C)c1noc(CCC(=O)NC[C@]2(CO)COCC[NH2+]2)n1 ZINC001362781241 918604963 /nfs/dbraw/zinc/60/49/63/918604963.db2.gz ZFTZOGUFBNCPNK-ZDUSSCGKSA-N 1 1 313.358 -1.465 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CS(=O)(=O)C1 ZINC001362811674 918613183 /nfs/dbraw/zinc/61/31/83/918613183.db2.gz MGSNYQYLUQAWIF-VIFPVBQESA-N 1 1 301.324 -1.345 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cn1cc([C@H](C)O)nn1 ZINC001362810545 918614088 /nfs/dbraw/zinc/61/40/88/918614088.db2.gz HQSVHGGLJROZGX-WPRPVWTQSA-N 1 1 322.325 -1.045 20 0 DAADMO COC(=O)c1cccn(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1=O ZINC001362823806 918617674 /nfs/dbraw/zinc/61/76/74/918617674.db2.gz FSNIJJUPZLFTAT-OAHLLOKOSA-N 1 1 323.349 -1.182 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@@H]3C[N@H+](C)CCO3)nnc2C1=O ZINC001362857282 918626882 /nfs/dbraw/zinc/62/68/82/918626882.db2.gz ICZWGWJBDPKQTE-JTQLQIEISA-N 1 1 322.369 -1.647 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)nnc2C1=O ZINC001362857282 918626891 /nfs/dbraw/zinc/62/68/91/918626891.db2.gz ICZWGWJBDPKQTE-JTQLQIEISA-N 1 1 322.369 -1.647 20 0 DAADMO CN1CCn2c(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)nnc2C1=O ZINC001362860653 918630330 /nfs/dbraw/zinc/63/03/30/918630330.db2.gz XMJFTXMGNDQPFS-SNVBAGLBSA-N 1 1 306.370 -1.026 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCCS(N)(=O)=O ZINC001362901151 918637580 /nfs/dbraw/zinc/63/75/80/918637580.db2.gz HZASOMQBZDVXJA-GHMZBOCLSA-N 1 1 307.416 -1.031 20 0 DAADMO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2cnc[nH]2)CC1=O ZINC001362902452 918638320 /nfs/dbraw/zinc/63/83/20/918638320.db2.gz SDMFLUMXHWWXBR-CMPLNLGQSA-N 1 1 309.370 -1.031 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362914922 918643867 /nfs/dbraw/zinc/64/38/67/918643867.db2.gz RQERFGXVRMASMW-KIJLLGNVSA-N 1 1 300.330 -1.346 20 0 DAADMO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362914922 918643875 /nfs/dbraw/zinc/64/38/75/918643875.db2.gz RQERFGXVRMASMW-KIJLLGNVSA-N 1 1 300.330 -1.346 20 0 DAADMO Cc1cc(S(N)(=O)=O)oc1C(=O)NCC[N@@H+](C)CCO ZINC001362954999 918654307 /nfs/dbraw/zinc/65/43/07/918654307.db2.gz NAOMSPYJPMWLCC-UHFFFAOYSA-N 1 1 305.356 -1.111 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001362984589 918662591 /nfs/dbraw/zinc/66/25/91/918662591.db2.gz LESOXUQZKROXND-WDEREUQCSA-N 1 1 305.400 -1.455 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001363008600 918665285 /nfs/dbraw/zinc/66/52/85/918665285.db2.gz CSRFPRLBZIPZRC-UHFFFAOYSA-N 1 1 316.383 -1.227 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC001363018389 918667366 /nfs/dbraw/zinc/66/73/66/918667366.db2.gz GVUNZWVGBHEBAC-AWEZNQCLSA-N 1 1 312.370 -2.011 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001363013745 918667624 /nfs/dbraw/zinc/66/76/24/918667624.db2.gz AHUGQKXQVCYXEO-GXSJLCMTSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001363013745 918667634 /nfs/dbraw/zinc/66/76/34/918667634.db2.gz AHUGQKXQVCYXEO-GXSJLCMTSA-N 1 1 323.357 -2.545 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(CC(N)=O)C(=O)C2)C1 ZINC001363018393 918668568 /nfs/dbraw/zinc/66/85/68/918668568.db2.gz GVUNZWVGBHEBAC-CQSZACIVSA-N 1 1 312.370 -2.011 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001363069250 918684837 /nfs/dbraw/zinc/68/48/37/918684837.db2.gz TVZGPQZUIOJRGB-QWHCGFSZSA-N 1 1 310.398 -1.275 20 0 DAADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084751 918686811 /nfs/dbraw/zinc/68/68/11/918686811.db2.gz UUYFYZWBFBXXAS-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001363084751 918686823 /nfs/dbraw/zinc/68/68/23/918686823.db2.gz UUYFYZWBFBXXAS-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC001363078425 918687155 /nfs/dbraw/zinc/68/71/55/918687155.db2.gz KYXYQVBEJXWGLO-VIFPVBQESA-N 1 1 300.384 -1.716 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)NCC(=O)N2CC[NH+](C)CC2)n1 ZINC001363083219 918688297 /nfs/dbraw/zinc/68/82/97/918688297.db2.gz PIYVAJXSOLAEGI-UHFFFAOYSA-N 1 1 322.373 -1.976 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001363090055 918690941 /nfs/dbraw/zinc/69/09/41/918690941.db2.gz CSTMVNPJGOARBP-JTQLQIEISA-N 1 1 306.326 -1.926 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001363098100 918693797 /nfs/dbraw/zinc/69/37/97/918693797.db2.gz BTRUSJXUVHMZSZ-GHMZBOCLSA-N 1 1 300.359 -1.927 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C2 ZINC001363122280 918698613 /nfs/dbraw/zinc/69/86/13/918698613.db2.gz MAGMTRUPZNJPIL-ZMLRMANQSA-N 1 1 319.365 -1.201 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2(S(N)(=O)=O)CC2)C1 ZINC001363133451 918699665 /nfs/dbraw/zinc/69/96/65/918699665.db2.gz IWVMRUUJUFJZER-VIFPVBQESA-N 1 1 305.400 -1.231 20 0 DAADMO Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001363153255 918709233 /nfs/dbraw/zinc/70/92/33/918709233.db2.gz BHHQBGFRSXHZLC-SFYZADRCSA-N 1 1 309.326 -1.249 20 0 DAADMO CS(=O)(=O)c1ccnc(NC[C@@]2(CO)COCC[NH2+]2)n1 ZINC001363154008 918709872 /nfs/dbraw/zinc/70/98/72/918709872.db2.gz IAHTWGAUQQPBEZ-LLVKDONJSA-N 1 1 302.356 -1.357 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001363170542 918711067 /nfs/dbraw/zinc/71/10/67/918711067.db2.gz JLRADQDJPDUXSM-DOMZBBRYSA-N 1 1 313.398 -1.211 20 0 DAADMO COC(=O)c1ccnc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001363181032 918714351 /nfs/dbraw/zinc/71/43/51/918714351.db2.gz ZSUGOKDZAZFKDG-CQSZACIVSA-N 1 1 309.322 -1.051 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363175262 918714865 /nfs/dbraw/zinc/71/48/65/918714865.db2.gz NBNXXCHFQMRTLW-GFCCVEGCSA-N 1 1 321.399 -2.816 20 0 DAADMO CN(C[C@H](O)C[NH+]1CCN(CC(N)=O)CC1)CC(F)(F)F ZINC001363218880 918726657 /nfs/dbraw/zinc/72/66/57/918726657.db2.gz WTRJVLCSQGWHSU-JTQLQIEISA-N 1 1 312.336 -1.056 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H](C)[N@@H+]1CCO ZINC001363252606 918736341 /nfs/dbraw/zinc/73/63/41/918736341.db2.gz KIXVJNOITSUTOS-PHIMTYICSA-N 1 1 310.354 -1.138 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363274901 918742970 /nfs/dbraw/zinc/74/29/70/918742970.db2.gz SGYSLMZYCXIAJD-GXFFZTMASA-N 1 1 302.375 -1.319 20 0 DAADMO CCCC[C@H](NC(N)=O)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363274899 918743098 /nfs/dbraw/zinc/74/30/98/918743098.db2.gz SGYSLMZYCXIAJD-GWCFXTLKSA-N 1 1 302.375 -1.319 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1C(F)(F)F ZINC001363274658 918743127 /nfs/dbraw/zinc/74/31/27/918743127.db2.gz QDXSYEASQCZLGL-SNVBAGLBSA-N 1 1 323.275 -1.085 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001363282815 918744827 /nfs/dbraw/zinc/74/48/27/918744827.db2.gz CZVYTOSMIRUXGW-UHFFFAOYSA-N 1 1 324.337 -1.486 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001363282815 918744842 /nfs/dbraw/zinc/74/48/42/918744842.db2.gz CZVYTOSMIRUXGW-UHFFFAOYSA-N 1 1 324.337 -1.486 20 0 DAADMO CNS(=O)(=O)CC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001363289082 918749364 /nfs/dbraw/zinc/74/93/64/918749364.db2.gz CDVQCLBBKZYKFP-UHFFFAOYSA-N 1 1 313.401 -2.442 20 0 DAADMO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001363292508 918751861 /nfs/dbraw/zinc/75/18/61/918751861.db2.gz HITJNCJFZOAGHB-NXEZZACHSA-N 1 1 302.327 -1.262 20 0 DAADMO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001363292508 918751875 /nfs/dbraw/zinc/75/18/75/918751875.db2.gz HITJNCJFZOAGHB-NXEZZACHSA-N 1 1 302.327 -1.262 20 0 DAADMO O=S1(=O)CCC(O)(C[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001363300890 918754933 /nfs/dbraw/zinc/75/49/33/918754933.db2.gz SOFMFUFJDDWXDD-UHFFFAOYSA-N 1 1 307.412 -1.007 20 0 DAADMO C[N@@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](CO)C1 ZINC001363329546 918762316 /nfs/dbraw/zinc/76/23/16/918762316.db2.gz PXNBABJMOPDNET-SECBINFHSA-N 1 1 321.341 -1.078 20 0 DAADMO C[N@H+]1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](CO)C1 ZINC001363329546 918762333 /nfs/dbraw/zinc/76/23/33/918762333.db2.gz PXNBABJMOPDNET-SECBINFHSA-N 1 1 321.341 -1.078 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)CC1 ZINC001363339630 918764817 /nfs/dbraw/zinc/76/48/17/918764817.db2.gz YVVUNWIGVRTZKG-GFCCVEGCSA-N 1 1 316.427 -1.616 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001363354700 918766737 /nfs/dbraw/zinc/76/67/37/918766737.db2.gz GGDCXMWNXTZGPY-UHFFFAOYSA-N 1 1 318.443 -1.274 20 0 DAADMO C[NH+]1CC(N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2)C1 ZINC001363359638 918767501 /nfs/dbraw/zinc/76/75/01/918767501.db2.gz SAZSYMVZYBXHFA-UHFFFAOYSA-N 1 1 304.398 -1.001 20 0 DAADMO O=C(C[NH+]1CCC(CO)CC1)N[C@H](CO)CC1OCCO1 ZINC001363354497 918768898 /nfs/dbraw/zinc/76/88/98/918768898.db2.gz HFLVIPLJERTPLU-LBPRGKRZSA-N 1 1 302.371 -1.069 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC001363398568 918775596 /nfs/dbraw/zinc/77/55/96/918775596.db2.gz AADZXJFWEAOKLE-UHFFFAOYSA-N 1 1 315.395 -1.083 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)nn1 ZINC001363422299 918781982 /nfs/dbraw/zinc/78/19/82/918781982.db2.gz MTIXAJVEVYOCRN-UQPYNNQESA-N 1 1 313.383 -1.039 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCc1c[nH+]c2n1CCC2 ZINC001363425976 918784207 /nfs/dbraw/zinc/78/42/07/918784207.db2.gz YWTRTWMZVNIMAI-UHFFFAOYSA-N 1 1 301.372 -1.159 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cn(CC(N)=O)nn3)CC2)C1 ZINC001363430200 918785572 /nfs/dbraw/zinc/78/55/72/918785572.db2.gz WGQNRRNXCAFKRX-CQSZACIVSA-N 1 1 321.429 -1.025 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001363448837 918790316 /nfs/dbraw/zinc/79/03/16/918790316.db2.gz IDPNXGVOFNSOKO-JGVFFNPUSA-N 1 1 311.342 -1.003 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC001363448833 918791193 /nfs/dbraw/zinc/79/11/93/918791193.db2.gz IDPNXGVOFNSOKO-HTQZYQBOSA-N 1 1 311.342 -1.003 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](CO)C1 ZINC001363483356 918798813 /nfs/dbraw/zinc/79/88/13/918798813.db2.gz DXUOPEZMKDDNTJ-VIFPVBQESA-N 1 1 317.371 -2.335 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](CO)C1 ZINC001363483356 918798825 /nfs/dbraw/zinc/79/88/25/918798825.db2.gz DXUOPEZMKDDNTJ-VIFPVBQESA-N 1 1 317.371 -2.335 20 0 DAADMO Cc1oc(C(=O)NCC[N@@H+](C)CCO)cc1S(N)(=O)=O ZINC001363493701 918801665 /nfs/dbraw/zinc/80/16/65/918801665.db2.gz INBCGDQMMFSGRR-UHFFFAOYSA-N 1 1 305.356 -1.111 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001363491520 918802779 /nfs/dbraw/zinc/80/27/79/918802779.db2.gz SQROHWKBULPIRG-NSHDSACASA-N 1 1 322.431 -1.716 20 0 DAADMO COC(=O)CCNC(=O)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001363516361 918809493 /nfs/dbraw/zinc/80/94/93/918809493.db2.gz FWTYUFNGWBVDPY-IINYFYTJSA-N 1 1 315.370 -1.373 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363522842 918813268 /nfs/dbraw/zinc/81/32/68/918813268.db2.gz CLLMFEAILHRYBV-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001363522618 918813327 /nfs/dbraw/zinc/81/33/27/918813327.db2.gz AIBKMMDVBRBQQA-JOYOIKCWSA-N 1 1 307.416 -1.128 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001363523978 918813437 /nfs/dbraw/zinc/81/34/37/918813437.db2.gz GDBUZKAFNSVGRN-GXFFZTMASA-N 1 1 300.359 -1.756 20 0 DAADMO COc1ncnc(OC)c1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363522764 918813460 /nfs/dbraw/zinc/81/34/60/918813460.db2.gz BSPCYHYPWMXXBS-ZDUSSCGKSA-N 1 1 312.326 -1.426 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363522844 918813484 /nfs/dbraw/zinc/81/34/84/918813484.db2.gz CLLMFEAILHRYBV-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363525498 918815425 /nfs/dbraw/zinc/81/54/25/918815425.db2.gz KYJPTKYNMVRZHV-GFCCVEGCSA-N 1 1 302.331 -3.294 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363527257 918815839 /nfs/dbraw/zinc/81/58/39/918815839.db2.gz QPCWRDRWYAGEDB-PWSUYJOCSA-N 1 1 306.384 -1.722 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)nn2c1 ZINC001363525556 918816664 /nfs/dbraw/zinc/81/66/64/918816664.db2.gz NJDVDPVVZNEUDI-CYBMUJFWSA-N 1 1 306.326 -1.487 20 0 DAADMO Cc1cc(O)cc(=O)n1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363530684 918819025 /nfs/dbraw/zinc/81/90/25/918819025.db2.gz WGEGWSJTBFDZNF-AWEZNQCLSA-N 1 1 311.338 -1.671 20 0 DAADMO C[N@H+]1C[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C(C)(C)C1 ZINC001363589494 918835304 /nfs/dbraw/zinc/83/53/04/918835304.db2.gz BQGAQAPCYHSWQV-JTQLQIEISA-N 1 1 315.399 -1.013 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001363594457 918838610 /nfs/dbraw/zinc/83/86/10/918838610.db2.gz FBQDNLKXJGMONZ-AWEZNQCLSA-N 1 1 309.370 -1.298 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001363602621 918840109 /nfs/dbraw/zinc/84/01/09/918840109.db2.gz AXONINSCJVRHDM-WDEREUQCSA-N 1 1 302.400 -1.311 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1ccc(-n2ccnc2)nn1 ZINC001363598456 918841810 /nfs/dbraw/zinc/84/18/10/918841810.db2.gz NLWVTPMXMKHNNP-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO NC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001363653983 918853560 /nfs/dbraw/zinc/85/35/60/918853560.db2.gz JROINSOZYCVZQK-QWRGUYRKSA-N 1 1 300.359 -1.615 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)CS(C)(=O)=O)no1 ZINC001363672602 918855802 /nfs/dbraw/zinc/85/58/02/918855802.db2.gz VOZDSQAVHGCNFO-MRVPVSSYSA-N 1 1 305.356 -1.129 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363690008 918859596 /nfs/dbraw/zinc/85/95/96/918859596.db2.gz NIFPVQHTXLFQRG-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO CN1CCN(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001363751841 918871571 /nfs/dbraw/zinc/87/15/71/918871571.db2.gz ODWRCYCOBPYJJF-STQMWFEESA-N 1 1 318.443 -1.069 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N1CC([NH2+]C2COC2)C1 ZINC001363769106 918873924 /nfs/dbraw/zinc/87/39/24/918873924.db2.gz QNTILIGWOJKHEI-UHFFFAOYSA-N 1 1 303.384 -2.084 20 0 DAADMO NC(=O)c1cnn2c1nccc2C(=O)N1CC([NH2+]C2COC2)C1 ZINC001363782888 918876242 /nfs/dbraw/zinc/87/62/42/918876242.db2.gz SQSXIGLNTDMRQP-UHFFFAOYSA-N 1 1 316.321 -1.359 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC001363776814 918878212 /nfs/dbraw/zinc/87/82/12/918878212.db2.gz GFFPGZYUGFPIHT-YPMHNXCESA-N 1 1 319.427 -1.030 20 0 DAADMO CNC(=O)NC(=O)CC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC001363784469 918880134 /nfs/dbraw/zinc/88/01/34/918880134.db2.gz UBAAIGHWUVIBPQ-UHFFFAOYSA-N 1 1 321.403 -2.262 20 0 DAADMO CNC(=O)[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC001363799827 918881873 /nfs/dbraw/zinc/88/18/73/918881873.db2.gz FKZRTIGBVIDVDJ-JTQLQIEISA-N 1 1 315.399 -1.234 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC001363805547 918884121 /nfs/dbraw/zinc/88/41/21/918884121.db2.gz PTSRXEDNCIBMPU-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC001363805547 918884127 /nfs/dbraw/zinc/88/41/27/918884127.db2.gz PTSRXEDNCIBMPU-ZDUSSCGKSA-N 1 1 312.414 -1.277 20 0 DAADMO NC(=O)[C@@H]1C[NH+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC001363815047 918887903 /nfs/dbraw/zinc/88/79/03/918887903.db2.gz XMJMEQONNXJYPZ-PRJMDXOYSA-N 1 1 322.287 -1.332 20 0 DAADMO Nc1ccnn1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363970245 918916103 /nfs/dbraw/zinc/91/61/03/918916103.db2.gz HFVNJSBIUYGDOH-SMDDNHRTSA-N 1 1 309.370 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363976925 918919784 /nfs/dbraw/zinc/91/97/84/918919784.db2.gz PKOBMJBIPYCGNS-HBNTYKKESA-N 1 1 305.400 -1.110 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)C1 ZINC001363976925 918919801 /nfs/dbraw/zinc/91/98/01/918919801.db2.gz PKOBMJBIPYCGNS-HBNTYKKESA-N 1 1 305.400 -1.110 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001364010576 918928302 /nfs/dbraw/zinc/92/83/02/918928302.db2.gz KUNSSRZYTPXXLM-DTORHVGOSA-N 1 1 318.399 -2.071 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC3(C2)C[C@@H](O)CNC3=O)CC1 ZINC001364037902 918935816 /nfs/dbraw/zinc/93/58/16/918935816.db2.gz XBNGOPNSWWJGQT-SNVBAGLBSA-N 1 1 317.411 -1.407 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001364057346 918940074 /nfs/dbraw/zinc/94/00/74/918940074.db2.gz SAUNHIABOLSRMD-UHFFFAOYSA-N 1 1 308.404 -2.058 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001364055745 918940517 /nfs/dbraw/zinc/94/05/17/918940517.db2.gz BWKWFBJEKHWUJN-OPRDCNLKSA-N 1 1 302.400 -1.288 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)CCO)nnn1-c1ccn(C)n1 ZINC001364055170 918940978 /nfs/dbraw/zinc/94/09/78/918940978.db2.gz LCYBMVNUCXWQCS-UHFFFAOYSA-N 1 1 307.358 -1.037 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001364055738 918941047 /nfs/dbraw/zinc/94/10/47/918941047.db2.gz BWKWFBJEKHWUJN-BBBLOLIVSA-N 1 1 302.400 -1.288 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nn1 ZINC001364068057 918942102 /nfs/dbraw/zinc/94/21/02/918942102.db2.gz KPYALKHFAOSVBD-LLVKDONJSA-N 1 1 322.369 -1.565 20 0 DAADMO Cc1nn(CCS(=O)(=O)NCC[N@H+](C)CCO)c(=O)o1 ZINC001364081555 918946631 /nfs/dbraw/zinc/94/66/31/918946631.db2.gz JIYQCLQPAPKQGU-UHFFFAOYSA-N 1 1 308.360 -2.012 20 0 DAADMO Cc1nn(CCS(=O)(=O)NCC[N@@H+](C)CCO)c(=O)o1 ZINC001364081555 918946635 /nfs/dbraw/zinc/94/66/35/918946635.db2.gz JIYQCLQPAPKQGU-UHFFFAOYSA-N 1 1 308.360 -2.012 20 0 DAADMO C[NH+](C)CCCS(=O)(=O)N1CCS(=O)(=O)CCO1 ZINC001364080943 918946701 /nfs/dbraw/zinc/94/67/01/918946701.db2.gz UHCHCRNMTWXSKN-UHFFFAOYSA-N 1 1 300.402 -1.070 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1CS(N)(=O)=O ZINC001364121524 918953675 /nfs/dbraw/zinc/95/36/75/918953675.db2.gz XXPAYHKBYMEMKK-NEPJUHHUSA-N 1 1 318.443 -1.383 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001364190075 918958491 /nfs/dbraw/zinc/95/84/91/918958491.db2.gz FFJQPNWNUGLQLQ-ZYHUDNBSSA-N 1 1 314.386 -1.809 20 0 DAADMO O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001364207363 918962224 /nfs/dbraw/zinc/96/22/24/918962224.db2.gz JWCVTXKDDKUCTQ-SDDRHHMPSA-N 1 1 317.411 -1.119 20 0 DAADMO O=C(NC[C@H]1CCS(=O)(=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001364207360 918963381 /nfs/dbraw/zinc/96/33/81/918963381.db2.gz JWCVTXKDDKUCTQ-GRYCIOLGSA-N 1 1 317.411 -1.119 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H](CO)C1 ZINC001364228474 918969745 /nfs/dbraw/zinc/96/97/45/918969745.db2.gz WGEQLZGPDJWSDY-JTQLQIEISA-N 1 1 306.326 -1.974 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@H](CO)C1 ZINC001364228474 918969750 /nfs/dbraw/zinc/96/97/50/918969750.db2.gz WGEQLZGPDJWSDY-JTQLQIEISA-N 1 1 306.326 -1.974 20 0 DAADMO COC(=O)c1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)n(C)n1 ZINC001364312326 918983326 /nfs/dbraw/zinc/98/33/26/918983326.db2.gz VDHMNEUGAVZZLK-UHFFFAOYSA-N 1 1 323.353 -1.114 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC(O)(C(N)=O)C2)cn1 ZINC001364315980 918987848 /nfs/dbraw/zinc/98/78/48/918987848.db2.gz NTDLRTJMNASMMA-RYUDHWBXSA-N 1 1 321.381 -1.486 20 0 DAADMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[n-]c(N)nc3n2)C1 ZINC001364345008 918992615 /nfs/dbraw/zinc/99/26/15/918992615.db2.gz KPPIKZTWMQCVOZ-MRVPVSSYSA-N 1 1 305.342 -1.042 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC001364358206 918995737 /nfs/dbraw/zinc/99/57/37/918995737.db2.gz NDRKEXIUUDHMHD-FRRDWIJNSA-N 1 1 319.427 -1.304 20 0 DAADMO NC(=O)CN1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001364356793 918996496 /nfs/dbraw/zinc/99/64/96/918996496.db2.gz IKNYIYRXEJYQCT-LBPRGKRZSA-N 1 1 301.387 -1.618 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC001364357127 918996670 /nfs/dbraw/zinc/99/66/70/918996670.db2.gz JKOMIEZZKDQKLW-NSHDSACASA-N 1 1 307.416 -1.832 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001364382990 919000891 /nfs/dbraw/zinc/00/08/91/919000891.db2.gz MNWPQGBNPBWNAF-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)C1 ZINC001364382990 919000930 /nfs/dbraw/zinc/00/09/30/919000930.db2.gz MNWPQGBNPBWNAF-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)C1 ZINC001364382990 919000938 /nfs/dbraw/zinc/00/09/38/919000938.db2.gz MNWPQGBNPBWNAF-GXFFZTMASA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)C1 ZINC001364382980 919002013 /nfs/dbraw/zinc/00/20/13/919002013.db2.gz MNWPQGBNPBWNAF-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)C1 ZINC001364382980 919002061 /nfs/dbraw/zinc/00/20/61/919002061.db2.gz MNWPQGBNPBWNAF-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)C1 ZINC001364382980 919002071 /nfs/dbraw/zinc/00/20/71/919002071.db2.gz MNWPQGBNPBWNAF-GWCFXTLKSA-N 1 1 310.358 -1.054 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001364386835 919005782 /nfs/dbraw/zinc/00/57/82/919005782.db2.gz NAXIHWSKGLDVCX-TUAOUCFPSA-N 1 1 308.400 -1.358 20 0 DAADMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001364386835 919005792 /nfs/dbraw/zinc/00/57/92/919005792.db2.gz NAXIHWSKGLDVCX-TUAOUCFPSA-N 1 1 308.400 -1.358 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001364416131 919008196 /nfs/dbraw/zinc/00/81/96/919008196.db2.gz ZVBOPEFVPUZIKT-VIFPVBQESA-N 1 1 308.404 -1.998 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001364414872 919008917 /nfs/dbraw/zinc/00/89/17/919008917.db2.gz KBWIMKGFICRMRZ-LLVKDONJSA-N 1 1 323.415 -2.029 20 0 DAADMO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)CO)C[C@H](O)CO ZINC001364438806 919010212 /nfs/dbraw/zinc/01/02/12/919010212.db2.gz FSLGMRKMXOVSEC-PHIMTYICSA-N 1 1 308.375 -1.481 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)C1 ZINC001364434472 919013152 /nfs/dbraw/zinc/01/31/52/919013152.db2.gz TVCXVFDSESUGBG-MCIONIFRSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)C1 ZINC001364434472 919013166 /nfs/dbraw/zinc/01/31/66/919013166.db2.gz TVCXVFDSESUGBG-MCIONIFRSA-N 1 1 313.398 -1.211 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001364458576 919015058 /nfs/dbraw/zinc/01/50/58/919015058.db2.gz FSDSSQBMQYBDJD-UHFFFAOYSA-N 1 1 318.337 -1.061 20 0 DAADMO CO[C@]1(CO)CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001364454504 919016036 /nfs/dbraw/zinc/01/60/36/919016036.db2.gz GNXAIWQBXMCUTQ-CYBMUJFWSA-N 1 1 308.342 -1.027 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364470355 919017866 /nfs/dbraw/zinc/01/78/66/919017866.db2.gz BVWRQWWFUAXJQH-CMPLNLGQSA-N 1 1 323.415 -1.973 20 0 DAADMO NC(=O)c1ccccc1NCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001364470345 919019362 /nfs/dbraw/zinc/01/93/62/919019362.db2.gz BKXSDQWBLQTRHE-OAHLLOKOSA-N 1 1 322.365 -1.336 20 0 DAADMO CO[C@@H]1COC[C@@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001364472973 919019442 /nfs/dbraw/zinc/01/94/42/919019442.db2.gz BSWRBSAQXBZEHJ-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)CCN21 ZINC001364501455 919024488 /nfs/dbraw/zinc/02/44/88/919024488.db2.gz JAIYEQUELVWSSL-IJLUTSLNSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)CCN21 ZINC001364501455 919024499 /nfs/dbraw/zinc/02/44/99/919024499.db2.gz JAIYEQUELVWSSL-IJLUTSLNSA-N 1 1 321.399 -2.277 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001364504677 919025515 /nfs/dbraw/zinc/02/55/15/919025515.db2.gz INVKIHUXNGAIHC-SNVBAGLBSA-N 1 1 317.411 -1.123 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001364516904 919025641 /nfs/dbraw/zinc/02/56/41/919025641.db2.gz KQRRFSBSGZRTBR-UHFFFAOYSA-N 1 1 308.342 -1.469 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001364536329 919029882 /nfs/dbraw/zinc/02/98/82/919029882.db2.gz XWYYVWAFOJRXEX-GHMZBOCLSA-N 1 1 322.431 -2.063 20 0 DAADMO NS(=O)(=O)C[C@H]1CC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC001364548497 919030768 /nfs/dbraw/zinc/03/07/68/919030768.db2.gz HJGYZXDXFZDIFZ-WDEREUQCSA-N 1 1 308.400 -1.501 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)NCC2(S(N)(=O)=O)CC2)C1 ZINC001364543277 919030807 /nfs/dbraw/zinc/03/08/07/919030807.db2.gz KWVXKEJLWNEDJH-SNVBAGLBSA-N 1 1 320.415 -1.173 20 0 DAADMO C[NH+]1CCN(C(=O)CNCc2ccc(S(N)(=O)=O)o2)CC1 ZINC001364569223 919034938 /nfs/dbraw/zinc/03/49/38/919034938.db2.gz JUPUFQZTQCIOJE-UHFFFAOYSA-N 1 1 316.383 -1.209 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)NCC2(S(N)(=O)=O)CC2)C1 ZINC001364593381 919036979 /nfs/dbraw/zinc/03/69/79/919036979.db2.gz GNRXXAFQDOTGQG-NSHDSACASA-N 1 1 305.400 -1.230 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1(O)COC1 ZINC001364603062 919040377 /nfs/dbraw/zinc/04/03/77/919040377.db2.gz INHQPAUQPBDAOE-CYBMUJFWSA-N 1 1 313.398 -1.340 20 0 DAADMO NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001364654509 919043663 /nfs/dbraw/zinc/04/36/63/919043663.db2.gz BTWJKGZYFZJEHW-PWSUYJOCSA-N 1 1 308.400 -1.094 20 0 DAADMO NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC001364654510 919044713 /nfs/dbraw/zinc/04/47/13/919044713.db2.gz BTWJKGZYFZJEHW-ZYHUDNBSSA-N 1 1 308.400 -1.094 20 0 DAADMO C[N@H+]1CCC[C@@H]1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001364660118 919047464 /nfs/dbraw/zinc/04/74/64/919047464.db2.gz YIGKIOVWQGOPSN-RDBSUJKOSA-N 1 1 317.455 -1.144 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)nnc2C1=O ZINC001364681926 919048387 /nfs/dbraw/zinc/04/83/87/919048387.db2.gz BVBVSBNIOLBZDG-YMTOWFKASA-N 1 1 322.369 -1.565 20 0 DAADMO CN1CCn2c(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)nnc2C1=O ZINC001364681926 919048399 /nfs/dbraw/zinc/04/83/99/919048399.db2.gz BVBVSBNIOLBZDG-YMTOWFKASA-N 1 1 322.369 -1.565 20 0 DAADMO C[C@H]1CN(Cc2nnc3c(=O)n(C)ccn23)CC[N@H+]1CCO ZINC001364691439 919050829 /nfs/dbraw/zinc/05/08/29/919050829.db2.gz TVGUEJASGMFTDT-NSHDSACASA-N 1 1 306.370 -1.074 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697100 919051836 /nfs/dbraw/zinc/05/18/36/919051836.db2.gz YPTXJFWEIKHYBN-RYUDHWBXSA-N 1 1 302.371 -1.274 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697100 919051839 /nfs/dbraw/zinc/05/18/39/919051839.db2.gz YPTXJFWEIKHYBN-RYUDHWBXSA-N 1 1 302.371 -1.274 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697094 919052110 /nfs/dbraw/zinc/05/21/10/919052110.db2.gz YPTXJFWEIKHYBN-NEPJUHHUSA-N 1 1 302.371 -1.274 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CCOCC2)CCO1 ZINC001364697094 919052126 /nfs/dbraw/zinc/05/21/26/919052126.db2.gz YPTXJFWEIKHYBN-NEPJUHHUSA-N 1 1 302.371 -1.274 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC001364729713 919056572 /nfs/dbraw/zinc/05/65/72/919056572.db2.gz MDZUOKTUAWLIJA-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO CNS(=O)(=O)N1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC001364729713 919056585 /nfs/dbraw/zinc/05/65/85/919056585.db2.gz MDZUOKTUAWLIJA-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO Cn1cc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001364771957 919063297 /nfs/dbraw/zinc/06/32/97/919063297.db2.gz MJUVSHHZCMTPJO-LLVKDONJSA-N 1 1 323.353 -1.554 20 0 DAADMO Cn1cc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001364771957 919063312 /nfs/dbraw/zinc/06/33/12/919063312.db2.gz MJUVSHHZCMTPJO-LLVKDONJSA-N 1 1 323.353 -1.554 20 0 DAADMO C[N@@H+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)[C@@H](CO)C1 ZINC001364777090 919064591 /nfs/dbraw/zinc/06/45/91/919064591.db2.gz HVHRITUDTMGDQB-CYBMUJFWSA-N 1 1 313.398 -1.040 20 0 DAADMO C[N@H+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)[C@@H](CO)C1 ZINC001364777090 919064604 /nfs/dbraw/zinc/06/46/04/919064604.db2.gz HVHRITUDTMGDQB-CYBMUJFWSA-N 1 1 313.398 -1.040 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3CCC[C@@H](CO)[C@H]3CO)cc2=O)[nH]1 ZINC001364776695 919064862 /nfs/dbraw/zinc/06/48/62/919064862.db2.gz NFIVQNHEZBNDIX-WCBMZHEXSA-N 1 1 308.342 -1.435 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC001364781371 919066459 /nfs/dbraw/zinc/06/64/59/919066459.db2.gz PSCFPGSWYTUYDY-OLZOCXBDSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC001364781371 919066475 /nfs/dbraw/zinc/06/64/75/919066475.db2.gz PSCFPGSWYTUYDY-OLZOCXBDSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C1OCCN1CCS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC001364787098 919068715 /nfs/dbraw/zinc/06/87/15/919068715.db2.gz QXZCEQLZWRSTOR-UHFFFAOYSA-N 1 1 321.399 -1.232 20 0 DAADMO O=C1OCCN1CCS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC001364787098 919068733 /nfs/dbraw/zinc/06/87/33/919068733.db2.gz QXZCEQLZWRSTOR-UHFFFAOYSA-N 1 1 321.399 -1.232 20 0 DAADMO NC(=O)C1([NH2+]CCn2ccccc2=O)CCS(=O)(=O)CC1 ZINC001364786982 919068968 /nfs/dbraw/zinc/06/89/68/919068968.db2.gz YYZMXCVANCWOMX-UHFFFAOYSA-N 1 1 313.379 -1.129 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001364814420 919070945 /nfs/dbraw/zinc/07/09/45/919070945.db2.gz KGAWEJAZIGXQJP-BDAKNGLRSA-N 1 1 306.388 -1.312 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001364801478 919071404 /nfs/dbraw/zinc/07/14/04/919071404.db2.gz YJIASBMUGYAFTN-VIFPVBQESA-N 1 1 311.429 -1.227 20 0 DAADMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCN(C)CC2)C1 ZINC001364818938 919073944 /nfs/dbraw/zinc/07/39/44/919073944.db2.gz DQKFVZDODDYVCW-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO COCC[N@H+]1CC[C@H](NS(=O)(=O)N2CCN(C)CC2)C1 ZINC001364818938 919073956 /nfs/dbraw/zinc/07/39/56/919073956.db2.gz DQKFVZDODDYVCW-LBPRGKRZSA-N 1 1 306.432 -1.211 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC001364830705 919076047 /nfs/dbraw/zinc/07/60/47/919076047.db2.gz PSOLIJYJLCJQJP-NEPJUHHUSA-N 1 1 322.427 -1.041 20 0 DAADMO COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001364830736 919078196 /nfs/dbraw/zinc/07/81/96/919078196.db2.gz PSOLIJYJLCJQJP-NWDGAFQWSA-N 1 1 322.427 -1.041 20 0 DAADMO O=S1(=O)CCC(O)(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001364846971 919079736 /nfs/dbraw/zinc/07/97/36/919079736.db2.gz WZSOWLVEVKGKGM-VXGBXAGGSA-N 1 1 307.412 -1.151 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001364837009 919080699 /nfs/dbraw/zinc/08/06/99/919080699.db2.gz UVEWXTBABIRVNW-OLZOCXBDSA-N 1 1 322.365 -1.003 20 0 DAADMO Cn1cc(CN2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001364938344 919103920 /nfs/dbraw/zinc/10/39/20/919103920.db2.gz BZTHWLFBHYEVQH-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1cc(CN2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001364938344 919103930 /nfs/dbraw/zinc/10/39/30/919103930.db2.gz BZTHWLFBHYEVQH-CYBMUJFWSA-N 1 1 308.386 -1.210 20 0 DAADMO O=C(CC[N@@H+]1CC[C@H](F)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001364949988 919106085 /nfs/dbraw/zinc/10/60/85/919106085.db2.gz DNAOUEXOWZDRNJ-QWRGUYRKSA-N 1 1 320.390 -1.219 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001364957351 919106254 /nfs/dbraw/zinc/10/62/54/919106254.db2.gz XYKGDONDQCIYPZ-ZJUUUORDSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnc(N)nc1)[C@H]1C[N@H+](C)CCN1C ZINC001364952766 919106588 /nfs/dbraw/zinc/10/65/88/919106588.db2.gz OVISUKIKUHWJRL-GXSJLCMTSA-N 1 1 314.415 -1.029 20 0 DAADMO C[C@H](NS(=O)(=O)c1cnc(N)nc1)[C@H]1C[N@@H+](C)CCN1C ZINC001364952766 919106600 /nfs/dbraw/zinc/10/66/00/919106600.db2.gz OVISUKIKUHWJRL-GXSJLCMTSA-N 1 1 314.415 -1.029 20 0 DAADMO COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364998957 919114484 /nfs/dbraw/zinc/11/44/84/919114484.db2.gz WOCBGECWMIQTOX-CYZMBNFOSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364998957 919114493 /nfs/dbraw/zinc/11/44/93/919114493.db2.gz WOCBGECWMIQTOX-CYZMBNFOSA-N 1 1 321.381 -1.002 20 0 DAADMO COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364998957 919114502 /nfs/dbraw/zinc/11/45/02/919114502.db2.gz WOCBGECWMIQTOX-CYZMBNFOSA-N 1 1 321.381 -1.002 20 0 DAADMO O=C([C@H]1C[C@H](O)CN1c1ccncn1)N1CC([NH2+]C2COC2)C1 ZINC001365051515 919117296 /nfs/dbraw/zinc/11/72/96/919117296.db2.gz YLQNHESYZGLEGY-QWHCGFSZSA-N 1 1 319.365 -1.385 20 0 DAADMO Cn1cc(N2C[C@@H](C(=O)N3CC([NH2+]C4COC4)C3)CC2=O)cn1 ZINC001365051110 919117584 /nfs/dbraw/zinc/11/75/84/919117584.db2.gz PGJNWONLSKXVFH-JTQLQIEISA-N 1 1 319.365 -1.028 20 0 DAADMO C[C@H]1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC001365092802 919121994 /nfs/dbraw/zinc/12/19/94/919121994.db2.gz CEHHVKHPCWHBLB-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001365109740 919124519 /nfs/dbraw/zinc/12/45/19/919124519.db2.gz NXEUUKZZQIBECI-UWVGGRQHSA-N 1 1 313.358 -1.364 20 0 DAADMO C[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001365114433 919125782 /nfs/dbraw/zinc/12/57/82/919125782.db2.gz IDQOSDMBLXIVMF-QWRGUYRKSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001365114433 919125790 /nfs/dbraw/zinc/12/57/90/919125790.db2.gz IDQOSDMBLXIVMF-QWRGUYRKSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001365114431 919126020 /nfs/dbraw/zinc/12/60/20/919126020.db2.gz IDQOSDMBLXIVMF-GHMZBOCLSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H](NC(=O)N1CCC(O)(C(N)=O)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001365114431 919126031 /nfs/dbraw/zinc/12/60/31/919126031.db2.gz IDQOSDMBLXIVMF-GHMZBOCLSA-N 1 1 314.386 -1.273 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158966 919133838 /nfs/dbraw/zinc/13/38/38/919133838.db2.gz FHLFYVFRHRLJAU-BXUZGUMPSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158966 919133847 /nfs/dbraw/zinc/13/38/47/919133847.db2.gz FHLFYVFRHRLJAU-BXUZGUMPSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158973 919134301 /nfs/dbraw/zinc/13/43/01/919134301.db2.gz FHLFYVFRHRLJAU-SMDDNHRTSA-N 1 1 309.370 -1.036 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC001365158973 919134312 /nfs/dbraw/zinc/13/43/12/919134312.db2.gz FHLFYVFRHRLJAU-SMDDNHRTSA-N 1 1 309.370 -1.036 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001365180910 919138704 /nfs/dbraw/zinc/13/87/04/919138704.db2.gz HCKDQCPRHMQNIE-UHFFFAOYSA-N 1 1 311.342 -2.182 20 0 DAADMO C[NH+]1CCN(CC(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 ZINC001365210992 919140666 /nfs/dbraw/zinc/14/06/66/919140666.db2.gz QNGCNYPDPARYIV-UHFFFAOYSA-N 1 1 307.354 -1.481 20 0 DAADMO C[NH+]1CCN(CC(=O)NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001365195335 919142026 /nfs/dbraw/zinc/14/20/26/919142026.db2.gz UEOFCAGHBWYLJC-UHFFFAOYSA-N 1 1 319.427 -1.710 20 0 DAADMO CN(C)c1n[nH]c(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001365250488 919147355 /nfs/dbraw/zinc/14/73/55/919147355.db2.gz LMTOLDGVRGZEHD-VHSXEESVSA-N 1 1 309.374 -1.169 20 0 DAADMO NS(=O)(=O)CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001365260615 919150096 /nfs/dbraw/zinc/15/00/96/919150096.db2.gz AZFBECBUHIWCKO-UHFFFAOYSA-N 1 1 322.387 -1.977 20 0 DAADMO NS(=O)(=O)CCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001365260615 919150104 /nfs/dbraw/zinc/15/01/04/919150104.db2.gz AZFBECBUHIWCKO-UHFFFAOYSA-N 1 1 322.387 -1.977 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](CCO)CCN1CCOCC1 ZINC001365285959 919154026 /nfs/dbraw/zinc/15/40/26/919154026.db2.gz HJZYHYMFLVPATO-UHFFFAOYSA-N 1 1 317.386 -1.708 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001365311210 919155311 /nfs/dbraw/zinc/15/53/11/919155311.db2.gz NLNNDNODVZAIGF-QWRGUYRKSA-N 1 1 315.370 -1.299 20 0 DAADMO C[C@H](NC(=O)CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)C(=O)N(C)C ZINC001365310080 919157316 /nfs/dbraw/zinc/15/73/16/919157316.db2.gz IBAZBTCJJBNHBG-AGIUHOORSA-N 1 1 314.430 -1.034 20 0 DAADMO COC(=O)[C@H]([N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1(OC)CCC1 ZINC001365315481 919157690 /nfs/dbraw/zinc/15/76/90/919157690.db2.gz CBHPSKXECSZGCL-AEJSXWLSSA-N 1 1 313.354 -1.384 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)N1CCC2(CC1)OCCO2 ZINC001365322262 919160278 /nfs/dbraw/zinc/16/02/78/919160278.db2.gz QRSAQQBYQAHMKQ-BETUJISGSA-N 1 1 314.382 -1.116 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC001365322383 919160539 /nfs/dbraw/zinc/16/05/39/919160539.db2.gz SRRAXBFNKASIPP-BETUJISGSA-N 1 1 313.398 -1.354 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001365338349 919162253 /nfs/dbraw/zinc/16/22/53/919162253.db2.gz JRXMWAQFLZLEIU-UWVGGRQHSA-N 1 1 322.383 -1.180 20 0 DAADMO O=C(C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340951 919162648 /nfs/dbraw/zinc/16/26/48/919162648.db2.gz HZMHIMYUZLKYGD-QWHCGFSZSA-N 1 1 313.398 -1.352 20 0 DAADMO O=C(C[N@H+]1C[C@H](CO)[C@@H](CCO)C1)NCC(=O)N1CCCC1 ZINC001365340951 919162657 /nfs/dbraw/zinc/16/26/57/919162657.db2.gz HZMHIMYUZLKYGD-QWHCGFSZSA-N 1 1 313.398 -1.352 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001365333949 919163279 /nfs/dbraw/zinc/16/32/79/919163279.db2.gz WZCMUCALNDRMMO-JTQLQIEISA-N 1 1 313.445 -1.251 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001365333949 919163292 /nfs/dbraw/zinc/16/32/92/919163292.db2.gz WZCMUCALNDRMMO-JTQLQIEISA-N 1 1 313.445 -1.251 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1)C(=O)N(C)C ZINC001365339086 919163539 /nfs/dbraw/zinc/16/35/39/919163539.db2.gz FMFYMTNWXGJZQB-SRVKXCTJSA-N 1 1 301.387 -1.498 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H](CCO)[C@H](CO)C1)C(=O)N(C)C ZINC001365339086 919163552 /nfs/dbraw/zinc/16/35/52/919163552.db2.gz FMFYMTNWXGJZQB-SRVKXCTJSA-N 1 1 301.387 -1.498 20 0 DAADMO C[C@H](NC(=O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1)C(=O)N(C)C ZINC001365339070 919164038 /nfs/dbraw/zinc/16/40/38/919164038.db2.gz FMFYMTNWXGJZQB-QJPTWQEYSA-N 1 1 301.387 -1.498 20 0 DAADMO C[C@H](NC(=O)C[N@H+]1C[C@H](CO)[C@H](CCO)C1)C(=O)N(C)C ZINC001365339070 919164047 /nfs/dbraw/zinc/16/40/47/919164047.db2.gz FMFYMTNWXGJZQB-QJPTWQEYSA-N 1 1 301.387 -1.498 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001365373122 919167529 /nfs/dbraw/zinc/16/75/29/919167529.db2.gz VHBDZFLQFXJLKD-LLVKDONJSA-N 1 1 322.431 -1.318 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCN2CCOC2=O)C1 ZINC001365390482 919173615 /nfs/dbraw/zinc/17/36/15/919173615.db2.gz OWFCJMUAQINHIC-LLVKDONJSA-N 1 1 307.372 -1.575 20 0 DAADMO Cn1nncc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001365461095 919190673 /nfs/dbraw/zinc/19/06/73/919190673.db2.gz STNWDQKZXLPKRT-UHFFFAOYSA-N 1 1 302.360 -2.133 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC001365528084 919196753 /nfs/dbraw/zinc/19/67/53/919196753.db2.gz UKZNRCZRGWXZLZ-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC001365528084 919196767 /nfs/dbraw/zinc/19/67/67/919196767.db2.gz UKZNRCZRGWXZLZ-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(CO)(CO)C1 ZINC001365558134 919198857 /nfs/dbraw/zinc/19/88/57/919198857.db2.gz OVQHXWZMBSELRV-LBPRGKRZSA-N 1 1 300.403 -1.382 20 0 DAADMO O=C(NCCC1CS(=O)(=O)C1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001365577929 919201249 /nfs/dbraw/zinc/20/12/49/919201249.db2.gz MMTCXIJQLXPEGL-LLVKDONJSA-N 1 1 305.400 -1.213 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001365580467 919201850 /nfs/dbraw/zinc/20/18/50/919201850.db2.gz NGBAXQJCYFWWIG-NSHDSACASA-N 1 1 322.431 -1.318 20 0 DAADMO CC[C@H](CNS(C)(=O)=O)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001365591835 919203796 /nfs/dbraw/zinc/20/37/96/919203796.db2.gz XMVQKDCGQHFJCP-GHMZBOCLSA-N 1 1 322.431 -1.320 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001365609712 919204308 /nfs/dbraw/zinc/20/43/08/919204308.db2.gz XHJWLEUXWXRUNZ-UWVGGRQHSA-N 1 1 309.370 -1.582 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001365638736 919206546 /nfs/dbraw/zinc/20/65/46/919206546.db2.gz DMPRTEXMHKWOAY-JTQLQIEISA-N 1 1 308.404 -1.756 20 0 DAADMO Cn1nnnc1CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001365689439 919218203 /nfs/dbraw/zinc/21/82/03/919218203.db2.gz GDHDAYIKTGSXLH-LLVKDONJSA-N 1 1 309.374 -1.815 20 0 DAADMO Cn1nnnc1CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001365689439 919218208 /nfs/dbraw/zinc/21/82/08/919218208.db2.gz GDHDAYIKTGSXLH-LLVKDONJSA-N 1 1 309.374 -1.815 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001365732631 919229178 /nfs/dbraw/zinc/22/91/78/919229178.db2.gz LOSIRMJRMPAGND-JTQLQIEISA-N 1 1 309.370 -1.710 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001365732631 919229187 /nfs/dbraw/zinc/22/91/87/919229187.db2.gz LOSIRMJRMPAGND-JTQLQIEISA-N 1 1 309.370 -1.710 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365816651 919240282 /nfs/dbraw/zinc/24/02/82/919240282.db2.gz KQUCPNHYIWSVFY-OUAUKWLOSA-N 1 1 311.386 -1.240 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365833511 919240932 /nfs/dbraw/zinc/24/09/32/919240932.db2.gz KQUCPNHYIWSVFY-GMTAPVOTSA-N 1 1 311.386 -1.240 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001365877511 919242033 /nfs/dbraw/zinc/24/20/33/919242033.db2.gz QLZIXJKDACKSDH-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001365877511 919242043 /nfs/dbraw/zinc/24/20/43/919242043.db2.gz QLZIXJKDACKSDH-SNVBAGLBSA-N 1 1 315.374 -2.314 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@H]2CCCNC2=O)cc(=O)[nH]1 ZINC001365866005 919242122 /nfs/dbraw/zinc/24/21/22/919242122.db2.gz ZRXCJNZKNGCEQD-JTQLQIEISA-N 1 1 323.353 -1.187 20 0 DAADMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCOC2)n1)C(N)=O ZINC001365861888 919242257 /nfs/dbraw/zinc/24/22/57/919242257.db2.gz MHFXSIKGECBRKR-IUCAKERBSA-N 1 1 323.353 -1.202 20 0 DAADMO COCC(=O)NCCC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001365918821 919245264 /nfs/dbraw/zinc/24/52/64/919245264.db2.gz GZDHQLSOBQJAFH-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001365932758 919246172 /nfs/dbraw/zinc/24/61/72/919246172.db2.gz CEZKDPGAQQZONQ-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365883184 919248388 /nfs/dbraw/zinc/24/83/88/919248388.db2.gz NNRDRLYMFBPQDC-GFCCVEGCSA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001365883184 919248405 /nfs/dbraw/zinc/24/84/05/919248405.db2.gz NNRDRLYMFBPQDC-GFCCVEGCSA-N 1 1 309.370 -1.277 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001365944756 919249869 /nfs/dbraw/zinc/24/98/69/919249869.db2.gz BRYDRBLMFQLCAH-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001365946298 919250796 /nfs/dbraw/zinc/25/07/96/919250796.db2.gz GVDFDICGSYWQBL-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 ZINC001365964470 919253593 /nfs/dbraw/zinc/25/35/93/919253593.db2.gz VWKRGTMVKBUIAJ-ZDUSSCGKSA-N 1 1 313.446 -1.064 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN1CCN([C@H](C)C(N)=O)CC1 ZINC001365964469 919256512 /nfs/dbraw/zinc/25/65/12/919256512.db2.gz VWKRGTMVKBUIAJ-CYBMUJFWSA-N 1 1 313.446 -1.064 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001365969355 919257287 /nfs/dbraw/zinc/25/72/87/919257287.db2.gz HRGSOESFOJAJPV-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001365966887 919259250 /nfs/dbraw/zinc/25/92/50/919259250.db2.gz PFZFATHLBLKWIW-SNVBAGLBSA-N 1 1 310.354 -1.579 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001365966887 919259259 /nfs/dbraw/zinc/25/92/59/919259259.db2.gz PFZFATHLBLKWIW-SNVBAGLBSA-N 1 1 310.354 -1.579 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1)C1CCC1 ZINC001365971987 919260095 /nfs/dbraw/zinc/26/00/95/919260095.db2.gz CZXVPNNVWCKODH-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001365973878 919261026 /nfs/dbraw/zinc/26/10/26/919261026.db2.gz GLSZLPAARYKWIU-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC001365971953 919261080 /nfs/dbraw/zinc/26/10/80/919261080.db2.gz CZBOWCITIVBONJ-GHMZBOCLSA-N 1 1 321.385 -1.115 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001365997189 919262840 /nfs/dbraw/zinc/26/28/40/919262840.db2.gz SURFLUWYJKVWKR-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001365997189 919262857 /nfs/dbraw/zinc/26/28/57/919262857.db2.gz SURFLUWYJKVWKR-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccn3nnnc23)C1 ZINC001365986642 919262942 /nfs/dbraw/zinc/26/29/42/919262942.db2.gz OKXKRBMOBJSHRM-GHMZBOCLSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001365993675 919264490 /nfs/dbraw/zinc/26/44/90/919264490.db2.gz HLQYTKIACWICDC-STQMWFEESA-N 1 1 324.381 -1.169 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001365986689 919265301 /nfs/dbraw/zinc/26/53/01/919265301.db2.gz OKXKRBMOBJSHRM-WDEREUQCSA-N 1 1 320.353 -1.064 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001365993833 919266049 /nfs/dbraw/zinc/26/60/49/919266049.db2.gz VZUAAOURHUQXIR-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001365993833 919266063 /nfs/dbraw/zinc/26/60/63/919266063.db2.gz VZUAAOURHUQXIR-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001366002969 919267455 /nfs/dbraw/zinc/26/74/55/919267455.db2.gz KSEGETXPOYQZJE-QWRGUYRKSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001366005070 919267597 /nfs/dbraw/zinc/26/75/97/919267597.db2.gz PRYBMCKKHVTDTE-GHMZBOCLSA-N 1 1 310.354 -1.075 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001366025813 919267906 /nfs/dbraw/zinc/26/79/06/919267906.db2.gz HHCYJMXNHXAHAS-QWRGUYRKSA-N 1 1 311.386 -1.240 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001365999359 919270913 /nfs/dbraw/zinc/27/09/13/919270913.db2.gz APJYMAZQWXOLKL-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)[nH]c1=O ZINC001366060851 919272673 /nfs/dbraw/zinc/27/26/73/919272673.db2.gz MLTKQKVZAGUWHD-SECBINFHSA-N 1 1 320.357 -1.053 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001366091660 919276422 /nfs/dbraw/zinc/27/64/22/919276422.db2.gz MTLMJDIECRUNBW-NSHDSACASA-N 1 1 324.385 -1.044 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001366069603 919277995 /nfs/dbraw/zinc/27/79/95/919277995.db2.gz MPIJNPYMSRMYDA-LLVKDONJSA-N 1 1 324.385 -1.460 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001366103591 919279664 /nfs/dbraw/zinc/27/96/64/919279664.db2.gz RSRKSSODPPJVNW-QMMMGPOBSA-N 1 1 303.344 -1.691 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001366095818 919280359 /nfs/dbraw/zinc/28/03/59/919280359.db2.gz RDLCDAZIXXMSIC-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1)C(=O)NC(N)=O ZINC001366129911 919286745 /nfs/dbraw/zinc/28/67/45/919286745.db2.gz ZHEFVWICAZJXID-GWOFURMSSA-N 1 1 311.386 -1.099 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001366165754 919289388 /nfs/dbraw/zinc/28/93/88/919289388.db2.gz DDPUMTBPDBNZPS-DTORHVGOSA-N 1 1 316.387 -1.618 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001366202298 919292654 /nfs/dbraw/zinc/29/26/54/919292654.db2.gz ODZSDZUGOYCIHU-GFCCVEGCSA-N 1 1 314.386 -1.798 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](C)O ZINC001366217141 919293162 /nfs/dbraw/zinc/29/31/62/919293162.db2.gz YBZQZIXRWHOFFP-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001366199429 919293238 /nfs/dbraw/zinc/29/32/38/919293238.db2.gz XGAVOTWSXZAFKO-SNVBAGLBSA-N 1 1 324.389 -1.533 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366184300 919294067 /nfs/dbraw/zinc/29/40/67/919294067.db2.gz INWZINYEGGZMBI-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366184300 919294078 /nfs/dbraw/zinc/29/40/78/919294078.db2.gz INWZINYEGGZMBI-JTQLQIEISA-N 1 1 320.415 -1.809 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001366232594 919296352 /nfs/dbraw/zinc/29/63/52/919296352.db2.gz KXRUCFCYSOKZGC-AHRFKUBPSA-N 1 1 308.382 -1.212 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nc(C2CC2)nn1C ZINC001366252134 919297001 /nfs/dbraw/zinc/29/70/01/919297001.db2.gz ORZCCKYQJXTMMP-VIFPVBQESA-N 1 1 319.373 -1.027 20 0 DAADMO C[C@H](NC(=O)CN1CCNC(=O)C1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001366226132 919297522 /nfs/dbraw/zinc/29/75/22/919297522.db2.gz LKNOXJIRVYUFBP-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001366226118 919297836 /nfs/dbraw/zinc/29/78/36/919297836.db2.gz LKNOXJIRVYUFBP-CHWSQXEVSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)NC(N)=O ZINC001366235930 919297923 /nfs/dbraw/zinc/29/79/23/919297923.db2.gz SEQKNSOLVBBUEN-HMUNZLOLSA-N 1 1 323.397 -1.242 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nncn1C ZINC001366279450 919300649 /nfs/dbraw/zinc/30/06/49/919300649.db2.gz CNRHBSABZQBOJW-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001366281990 919302271 /nfs/dbraw/zinc/30/22/71/919302271.db2.gz NCIOATGBXCFIPA-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366270322 919302725 /nfs/dbraw/zinc/30/27/25/919302725.db2.gz OZELOYDILMEIGN-SNVBAGLBSA-N 1 1 324.385 -1.071 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001366269074 919303090 /nfs/dbraw/zinc/30/30/90/919303090.db2.gz SXVAMPGZUFGPMQ-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001366278242 919303736 /nfs/dbraw/zinc/30/37/36/919303736.db2.gz QQNUCRMYJUIAGR-MRVPVSSYSA-N 1 1 318.403 -1.353 20 0 DAADMO C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1ncccn1 ZINC001366300850 919306640 /nfs/dbraw/zinc/30/66/40/919306640.db2.gz COMOBTAFEZGMBF-GFCCVEGCSA-N 1 1 320.397 -1.155 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001366288432 919307448 /nfs/dbraw/zinc/30/74/48/919307448.db2.gz LGWSXVNQXPTHEM-MRVPVSSYSA-N 1 1 301.372 -1.546 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001366308310 919308374 /nfs/dbraw/zinc/30/83/74/919308374.db2.gz MFZYAMBKXIZHSZ-VIFPVBQESA-N 1 1 323.357 -1.042 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001366312006 919308510 /nfs/dbraw/zinc/30/85/10/919308510.db2.gz SPKIIXDTOWRSGF-SECBINFHSA-N 1 1 308.346 -1.995 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001366339198 919311815 /nfs/dbraw/zinc/31/18/15/919311815.db2.gz UUGTUHPTQJCPLA-QMMMGPOBSA-N 1 1 304.376 -1.596 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN(C)S(C)(=O)=O ZINC001366339198 919311829 /nfs/dbraw/zinc/31/18/29/919311829.db2.gz UUGTUHPTQJCPLA-QMMMGPOBSA-N 1 1 304.376 -1.596 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001366327495 919313333 /nfs/dbraw/zinc/31/33/33/919313333.db2.gz HDSAHJPFXUYBDE-VIFPVBQESA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)[NH2+]CCN1CCNC1=O ZINC001366324992 919313413 /nfs/dbraw/zinc/31/34/13/919313413.db2.gz QDLZHTUIZFEWLD-VIFPVBQESA-N 1 1 310.358 -1.141 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cn(C)nn1 ZINC001366354780 919315394 /nfs/dbraw/zinc/31/53/94/919315394.db2.gz AEOMKDUZZWEAEV-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)CS(=O)(=O)NC)n1 ZINC001366367490 919315962 /nfs/dbraw/zinc/31/59/62/919315962.db2.gz PEVPQXSXXITJAI-VIFPVBQESA-N 1 1 318.403 -1.559 20 0 DAADMO C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnn(C)n1 ZINC001366361046 919316590 /nfs/dbraw/zinc/31/65/90/919316590.db2.gz WGSJUDQFFYNEKX-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnn(C)n1 ZINC001366361036 919316650 /nfs/dbraw/zinc/31/66/50/919316650.db2.gz WGSJUDQFFYNEKX-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001366355888 919316861 /nfs/dbraw/zinc/31/68/61/919316861.db2.gz NAAAZTYOEMBONF-MRVPVSSYSA-N 1 1 324.345 -2.254 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001366359895 919317299 /nfs/dbraw/zinc/31/72/99/919317299.db2.gz BQBJLKZBCBONIT-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366351631 919317983 /nfs/dbraw/zinc/31/79/83/919317983.db2.gz JSEUPGNBTPJUMI-ZJUUUORDSA-N 1 1 322.369 -1.319 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001366378669 919320373 /nfs/dbraw/zinc/32/03/73/919320373.db2.gz FVFQGUILNCIXQP-UWVGGRQHSA-N 1 1 324.389 -1.219 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001366450117 919329063 /nfs/dbraw/zinc/32/90/63/919329063.db2.gz RADIXFDZAZNRSZ-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001366441014 919330032 /nfs/dbraw/zinc/33/00/32/919330032.db2.gz XRPDBIDMNHKDRI-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001366441014 919330049 /nfs/dbraw/zinc/33/00/49/919330049.db2.gz XRPDBIDMNHKDRI-SECBINFHSA-N 1 1 324.345 -2.209 20 0 DAADMO C[C@H](CC(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1)NC(N)=O ZINC001366460713 919330086 /nfs/dbraw/zinc/33/00/86/919330086.db2.gz CWHUFISDBOVDDM-RKDXNWHRSA-N 1 1 312.378 -1.359 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001366524355 919337367 /nfs/dbraw/zinc/33/73/67/919337367.db2.gz JFSFQTNJJCDTFW-NXEZZACHSA-N 1 1 319.383 -1.423 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C[C@H]1CCS(=O)(=O)C1 ZINC001366524355 919337383 /nfs/dbraw/zinc/33/73/83/919337383.db2.gz JFSFQTNJJCDTFW-NXEZZACHSA-N 1 1 319.383 -1.423 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366520940 919337422 /nfs/dbraw/zinc/33/74/22/919337422.db2.gz JEXBUNBHEPVRGT-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366520940 919337441 /nfs/dbraw/zinc/33/74/41/919337441.db2.gz JEXBUNBHEPVRGT-RKDXNWHRSA-N 1 1 313.358 -1.856 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001366517310 919338320 /nfs/dbraw/zinc/33/83/20/919338320.db2.gz HUMDTUKIWUKGEI-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCNC(=O)CCC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001366517310 919338331 /nfs/dbraw/zinc/33/83/31/919338331.db2.gz HUMDTUKIWUKGEI-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO C[N@H+](CCNC(=O)c1cccn2nnnc12)[C@@H]1CCNC1=O ZINC001366534691 919339693 /nfs/dbraw/zinc/33/96/93/919339693.db2.gz JVZXOOLFVQWOBN-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccn2nnnc12)[C@@H]1CCNC1=O ZINC001366534691 919339710 /nfs/dbraw/zinc/33/97/10/919339710.db2.gz JVZXOOLFVQWOBN-SNVBAGLBSA-N 1 1 303.326 -1.326 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001366539451 919342650 /nfs/dbraw/zinc/34/26/50/919342650.db2.gz IUIGOWWYTVCROX-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001366539451 919342661 /nfs/dbraw/zinc/34/26/61/919342661.db2.gz IUIGOWWYTVCROX-VIFPVBQESA-N 1 1 313.358 -1.984 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CC[C@@H]1CCOC1 ZINC001366558466 919342757 /nfs/dbraw/zinc/34/27/57/919342757.db2.gz JYONRSUGUCVVAP-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CO[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@@H]1CCOC1 ZINC001366554900 919343470 /nfs/dbraw/zinc/34/34/70/919343470.db2.gz QBOHBWAAKOXVQY-MWLCHTKSSA-N 1 1 316.358 -1.719 20 0 DAADMO CO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@@H]1CCOC1 ZINC001366554900 919343488 /nfs/dbraw/zinc/34/34/88/919343488.db2.gz QBOHBWAAKOXVQY-MWLCHTKSSA-N 1 1 316.358 -1.719 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)CCN1CCNC1=O ZINC001366539598 919343792 /nfs/dbraw/zinc/34/37/92/919343792.db2.gz JXCRFYREEGODEO-LLVKDONJSA-N 1 1 311.386 -1.414 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cncn1C ZINC001366544218 919344897 /nfs/dbraw/zinc/34/48/97/919344897.db2.gz INHUCGHXPOZHJM-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cncn1C ZINC001366544218 919344915 /nfs/dbraw/zinc/34/49/15/919344915.db2.gz INHUCGHXPOZHJM-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366536424 919345218 /nfs/dbraw/zinc/34/52/18/919345218.db2.gz WHEOJSYTHWEAKC-NSHDSACASA-N 1 1 316.402 -1.384 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001366536424 919345233 /nfs/dbraw/zinc/34/52/33/919345233.db2.gz WHEOJSYTHWEAKC-NSHDSACASA-N 1 1 316.402 -1.384 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CCNC(=O)C2CC2)NC1=O ZINC001366562320 919346286 /nfs/dbraw/zinc/34/62/86/919346286.db2.gz ZLYVYMPRMOEJEL-NSHDSACASA-N 1 1 311.386 -1.416 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001366558915 919346332 /nfs/dbraw/zinc/34/63/32/919346332.db2.gz XIVYIBJZQYOODP-UHFFFAOYSA-N 1 1 319.391 -2.189 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001366558915 919346348 /nfs/dbraw/zinc/34/63/48/919346348.db2.gz XIVYIBJZQYOODP-UHFFFAOYSA-N 1 1 319.391 -2.189 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)nn1 ZINC001366574934 919346401 /nfs/dbraw/zinc/34/64/01/919346401.db2.gz FVPXABWITGGHJS-UHFFFAOYSA-N 1 1 309.374 -1.015 20 0 DAADMO Cn1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)cc1=O ZINC001366566502 919347683 /nfs/dbraw/zinc/34/76/83/919347683.db2.gz SQALAGNKSPAAKC-NSHDSACASA-N 1 1 307.354 -1.385 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CCn1cncn1 ZINC001366568118 919347928 /nfs/dbraw/zinc/34/79/28/919347928.db2.gz ZSUHIXSTIYTVCK-WDEREUQCSA-N 1 1 310.358 -1.641 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001366568133 919348944 /nfs/dbraw/zinc/34/89/44/919348944.db2.gz NEBZJKGCVARPPW-VIFPVBQESA-N 1 1 309.370 -1.114 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001366568133 919348959 /nfs/dbraw/zinc/34/89/59/919348959.db2.gz NEBZJKGCVARPPW-VIFPVBQESA-N 1 1 309.370 -1.114 20 0 DAADMO Cc1nc(C)n(CC[N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001366565180 919349822 /nfs/dbraw/zinc/34/98/22/919349822.db2.gz NTNDHVVEZMFFLN-NSHDSACASA-N 1 1 309.374 -1.376 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001366583385 919351478 /nfs/dbraw/zinc/35/14/78/919351478.db2.gz HVRWSDYCNUXBHF-NSHDSACASA-N 1 1 310.402 -1.002 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](CC)CC(=O)NC(=O)NC ZINC001366603363 919352743 /nfs/dbraw/zinc/35/27/43/919352743.db2.gz PSOMICASPRKWHS-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)CC(=O)NC(=O)NC ZINC001366603363 919352760 /nfs/dbraw/zinc/35/27/60/919352760.db2.gz PSOMICASPRKWHS-UHFFFAOYSA-N 1 1 315.374 -1.594 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001366597233 919353237 /nfs/dbraw/zinc/35/32/37/919353237.db2.gz YAFCZZHWTSKZAM-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001366597233 919353250 /nfs/dbraw/zinc/35/32/50/919353250.db2.gz YAFCZZHWTSKZAM-VIFPVBQESA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001366588638 919353441 /nfs/dbraw/zinc/35/34/41/919353441.db2.gz WVHOCXFZHWQXTI-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001366588638 919353451 /nfs/dbraw/zinc/35/34/51/919353451.db2.gz WVHOCXFZHWQXTI-BXKDBHETSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(C)C1=O ZINC001366625843 919355573 /nfs/dbraw/zinc/35/55/73/919355573.db2.gz KKVQMXNPMGTNSW-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(=O)NC ZINC001366608180 919356256 /nfs/dbraw/zinc/35/62/56/919356256.db2.gz AXQWZIZIDXVNLP-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ccn(C)n1)CC(=O)NC(=O)NC ZINC001366608180 919356270 /nfs/dbraw/zinc/35/62/70/919356270.db2.gz AXQWZIZIDXVNLP-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)CC(=O)NC(N)=O ZINC001366611183 919356767 /nfs/dbraw/zinc/35/67/67/919356767.db2.gz LQLGPLKBZQDHAD-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(C)C1)CC(=O)NC(N)=O ZINC001366611183 919356787 /nfs/dbraw/zinc/35/67/87/919356787.db2.gz LQLGPLKBZQDHAD-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C[C@@H](O)COC ZINC001366615306 919357344 /nfs/dbraw/zinc/35/73/44/919357344.db2.gz BUFGITBTHJRVQO-LLVKDONJSA-N 1 1 312.370 -1.161 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cnn(C)c1C)CC(=O)NC(N)=O ZINC001366611184 919357395 /nfs/dbraw/zinc/35/73/95/919357395.db2.gz CWYPGQLLMPKRJW-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cnn(C)c1C)CC(=O)NC(N)=O ZINC001366611184 919357412 /nfs/dbraw/zinc/35/74/12/919357412.db2.gz CWYPGQLLMPKRJW-UHFFFAOYSA-N 1 1 324.385 -1.096 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnns1)CC(=O)NC(N)=O ZINC001366605213 919357491 /nfs/dbraw/zinc/35/74/91/919357491.db2.gz QBGYNCYQUWXGDB-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnns1)CC(=O)NC(N)=O ZINC001366605213 919357506 /nfs/dbraw/zinc/35/75/06/919357506.db2.gz QBGYNCYQUWXGDB-UHFFFAOYSA-N 1 1 300.344 -1.215 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)CC(=O)NC(N)=O ZINC001366611244 919358484 /nfs/dbraw/zinc/35/84/84/919358484.db2.gz LQLGPLKBZQDHAD-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(C)C1)CC(=O)NC(N)=O ZINC001366611244 919358499 /nfs/dbraw/zinc/35/84/99/919358499.db2.gz LQLGPLKBZQDHAD-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001366611429 919358649 /nfs/dbraw/zinc/35/86/49/919358649.db2.gz JZZFQTZMPAHTHA-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001366611429 919358667 /nfs/dbraw/zinc/35/86/67/919358667.db2.gz JZZFQTZMPAHTHA-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)N(C)C ZINC001366634195 919358791 /nfs/dbraw/zinc/35/87/91/919358791.db2.gz JFUDNGDDJPTLSD-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NS(C)(=O)=O)CC(=O)N(C)C ZINC001366634195 919358799 /nfs/dbraw/zinc/35/87/99/919358799.db2.gz JFUDNGDDJPTLSD-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NC(=O)NC ZINC001366607145 919359032 /nfs/dbraw/zinc/35/90/32/919359032.db2.gz MZHNMOJKGRJGSI-MRVPVSSYSA-N 1 1 315.330 -2.012 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)CC(=O)NC(=O)NC ZINC001366607145 919359045 /nfs/dbraw/zinc/35/90/45/919359045.db2.gz MZHNMOJKGRJGSI-MRVPVSSYSA-N 1 1 315.330 -2.012 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)CN1CCNC(=O)C1 ZINC001366628945 919359338 /nfs/dbraw/zinc/35/93/38/919359338.db2.gz XVKBXCUSVNEQQD-LLVKDONJSA-N 1 1 313.402 -1.880 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)CC(=O)NC ZINC001366610020 919359615 /nfs/dbraw/zinc/35/96/15/919359615.db2.gz HVRCUOPFZACIRS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)CC(=O)NC ZINC001366610020 919359631 /nfs/dbraw/zinc/35/96/31/919359631.db2.gz HVRCUOPFZACIRS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(C)C1=O ZINC001366625844 919359657 /nfs/dbraw/zinc/35/96/57/919359657.db2.gz KKVQMXNPMGTNSW-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001366663025 919360047 /nfs/dbraw/zinc/36/00/47/919360047.db2.gz PWTKWDWDYAIHAJ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366652955 919360103 /nfs/dbraw/zinc/36/01/03/919360103.db2.gz ALISRUYIRVFCKZ-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366652955 919360121 /nfs/dbraw/zinc/36/01/21/919360121.db2.gz ALISRUYIRVFCKZ-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366653136 919360299 /nfs/dbraw/zinc/36/02/99/919360299.db2.gz BQXNRVDEDBMKQR-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001366653136 919360313 /nfs/dbraw/zinc/36/03/13/919360313.db2.gz BQXNRVDEDBMKQR-SNVBAGLBSA-N 1 1 310.358 -2.092 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001366658419 919360841 /nfs/dbraw/zinc/36/08/41/919360841.db2.gz IIBCBFVRXRPLJA-GFCCVEGCSA-N 1 1 314.386 -1.798 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001366658422 919361228 /nfs/dbraw/zinc/36/12/28/919361228.db2.gz IIBCBFVRXRPLJA-LBPRGKRZSA-N 1 1 314.386 -1.798 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001366677663 919361862 /nfs/dbraw/zinc/36/18/62/919361862.db2.gz YQGUQAOAERCZCV-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001366677663 919361877 /nfs/dbraw/zinc/36/18/77/919361877.db2.gz YQGUQAOAERCZCV-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001366656437 919362101 /nfs/dbraw/zinc/36/21/01/919362101.db2.gz PVWBWJTUQIDCAK-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001366656437 919362120 /nfs/dbraw/zinc/36/21/20/919362120.db2.gz PVWBWJTUQIDCAK-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001366664980 919362205 /nfs/dbraw/zinc/36/22/05/919362205.db2.gz DGYIWBXUDCWXQS-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001366664980 919362221 /nfs/dbraw/zinc/36/22/21/919362221.db2.gz DGYIWBXUDCWXQS-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001366664980 919362240 /nfs/dbraw/zinc/36/22/40/919362240.db2.gz DGYIWBXUDCWXQS-LLVKDONJSA-N 1 1 321.385 -1.047 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001366655885 919362586 /nfs/dbraw/zinc/36/25/86/919362586.db2.gz DUSGBVYVOQPELN-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001366655885 919362604 /nfs/dbraw/zinc/36/26/04/919362604.db2.gz DUSGBVYVOQPELN-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)OC ZINC001366647381 919363623 /nfs/dbraw/zinc/36/36/23/919363623.db2.gz AGMWKUOWMKOJKU-WDEREUQCSA-N 1 1 303.359 -1.070 20 0 DAADMO CC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)NC(N)=O ZINC001366643647 919363901 /nfs/dbraw/zinc/36/39/01/919363901.db2.gz DGPNOXPRAYBEID-UHFFFAOYSA-N 1 1 324.341 -1.973 20 0 DAADMO CC[N@@H+](CCNC(=O)c1ccc(=O)n(C)n1)CC(=O)NC(N)=O ZINC001366643647 919363917 /nfs/dbraw/zinc/36/39/17/919363917.db2.gz DGPNOXPRAYBEID-UHFFFAOYSA-N 1 1 324.341 -1.973 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001366666700 919364143 /nfs/dbraw/zinc/36/41/43/919364143.db2.gz CCTUONYWNLWPFJ-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001366666700 919364158 /nfs/dbraw/zinc/36/41/58/919364158.db2.gz CCTUONYWNLWPFJ-LLVKDONJSA-N 1 1 311.386 -1.096 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001366680227 919364687 /nfs/dbraw/zinc/36/46/87/919364687.db2.gz KTMUNSFEASIOSG-GFCCVEGCSA-N 1 1 321.385 -1.363 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001366683604 919365351 /nfs/dbraw/zinc/36/53/51/919365351.db2.gz PLKWKOGIXABNJR-VHSXEESVSA-N 1 1 323.357 -1.528 20 0 DAADMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001366683599 919366168 /nfs/dbraw/zinc/36/61/68/919366168.db2.gz PLKWKOGIXABNJR-UWVGGRQHSA-N 1 1 323.357 -1.528 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001366690535 919366331 /nfs/dbraw/zinc/36/63/31/919366331.db2.gz QDQAGWDIOOTCAT-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CC[C@H](C(=O)NC[C@H]1CCN(CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366697302 919366975 /nfs/dbraw/zinc/36/69/75/919366975.db2.gz BBDRTYXTCRCHNO-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001366690533 919367030 /nfs/dbraw/zinc/36/70/30/919367030.db2.gz QDQAGWDIOOTCAT-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3ncnn3)C2)C1=O ZINC001366691670 919367468 /nfs/dbraw/zinc/36/74/68/919367468.db2.gz LERMRHZDLLNUPF-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001366695827 919367626 /nfs/dbraw/zinc/36/76/26/919367626.db2.gz KNEXWCPGANIFCQ-QWRGUYRKSA-N 1 1 310.354 -1.232 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001366691760 919368632 /nfs/dbraw/zinc/36/86/32/919368632.db2.gz LYLWAUIADIOIOG-VHSXEESVSA-N 1 1 310.358 -1.804 20 0 DAADMO O=C(CCn1cncn1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366685511 919369067 /nfs/dbraw/zinc/36/90/67/919369067.db2.gz RFAAVRFXCBAACD-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001366682416 919369329 /nfs/dbraw/zinc/36/93/29/919369329.db2.gz MPGXYLOHLSBUFN-DGCLKSJQSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695349 919369416 /nfs/dbraw/zinc/36/94/16/919369416.db2.gz FKNDOKDGDMJUBS-VHSXEESVSA-N 1 1 324.385 -1.442 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001366695349 919369434 /nfs/dbraw/zinc/36/94/34/919369434.db2.gz FKNDOKDGDMJUBS-VHSXEESVSA-N 1 1 324.385 -1.442 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@@H](C)C(N)=O ZINC001366722031 919371299 /nfs/dbraw/zinc/37/12/99/919371299.db2.gz ORBMILGTGJKPON-NSHDSACASA-N 1 1 313.402 -1.880 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753146 919373722 /nfs/dbraw/zinc/37/37/22/919373722.db2.gz YZVBKYPBKWAZGE-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753146 919373732 /nfs/dbraw/zinc/37/37/32/919373732.db2.gz YZVBKYPBKWAZGE-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1)n1cncn1 ZINC001366737005 919373902 /nfs/dbraw/zinc/37/39/02/919373902.db2.gz XJQLZFJQHWHELN-SECBINFHSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1)n1cncn1 ZINC001366737005 919373918 /nfs/dbraw/zinc/37/39/18/919373918.db2.gz XJQLZFJQHWHELN-SECBINFHSA-N 1 1 323.357 -1.385 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)CCn1ccnn1)C1CC1 ZINC001366739906 919374320 /nfs/dbraw/zinc/37/43/20/919374320.db2.gz IPROFHOYBBZAKE-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)CCn1ccnn1)C1CC1 ZINC001366739906 919374333 /nfs/dbraw/zinc/37/43/33/919374333.db2.gz IPROFHOYBBZAKE-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO CN1CC[C@@H]([N@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753140 919374677 /nfs/dbraw/zinc/37/46/77/919374677.db2.gz YZVBKYPBKWAZGE-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@@H]([N@@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753140 919374694 /nfs/dbraw/zinc/37/46/94/919374694.db2.gz YZVBKYPBKWAZGE-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753143 919375035 /nfs/dbraw/zinc/37/50/35/919375035.db2.gz YZVBKYPBKWAZGE-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@H]2CNC(=O)N2)C2CC2)C1=O ZINC001366753143 919375045 /nfs/dbraw/zinc/37/50/45/919375045.db2.gz YZVBKYPBKWAZGE-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCNC(=O)C1)c1nnnn1C ZINC001366768810 919376301 /nfs/dbraw/zinc/37/63/01/919376301.db2.gz KCQGMLZSUCHSOY-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001366761174 919376701 /nfs/dbraw/zinc/37/67/01/919376701.db2.gz UERYRDQJOGUEPD-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)C1CC1 ZINC001366761174 919376716 /nfs/dbraw/zinc/37/67/16/919376716.db2.gz UERYRDQJOGUEPD-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCNC(=O)C1)c1nnnn1C ZINC001366768806 919377832 /nfs/dbraw/zinc/37/78/32/919377832.db2.gz KCQGMLZSUCHSOY-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001366799644 919380494 /nfs/dbraw/zinc/38/04/94/919380494.db2.gz INNNGDWVAPLEOG-AXFHLTTASA-N 1 1 309.370 -1.392 20 0 DAADMO CCCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCO)C1 ZINC001366817983 919380735 /nfs/dbraw/zinc/38/07/35/919380735.db2.gz JVEJMZQWSHUHBZ-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CCCN(C(=O)CS(=O)(=O)NC)[C@H]1CC[N@@H+](CCO)C1 ZINC001366807794 919381270 /nfs/dbraw/zinc/38/12/70/919381270.db2.gz FNDAQIFBTZCKET-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CN(C)C(=O)N1)c1nncn1C ZINC001366776380 919382027 /nfs/dbraw/zinc/38/20/27/919382027.db2.gz LLOFRFCVTFURNE-VHSXEESVSA-N 1 1 309.374 -1.052 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001366828334 919383351 /nfs/dbraw/zinc/38/33/51/919383351.db2.gz UPFYINKLWFOVCU-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001366862223 919385372 /nfs/dbraw/zinc/38/53/72/919385372.db2.gz QNFQTOBMQLZCCG-JTQLQIEISA-N 1 1 313.358 -1.902 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cn3cnnn3)C2)C1=O ZINC001366830330 919387952 /nfs/dbraw/zinc/38/79/52/919387952.db2.gz ZZIPRQYNXVRMEJ-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001366831745 919388288 /nfs/dbraw/zinc/38/82/88/919388288.db2.gz CNINRLRMHCTQDF-QWRGUYRKSA-N 1 1 312.374 -1.341 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001366882100 919389374 /nfs/dbraw/zinc/38/93/74/919389374.db2.gz RGAKXDFGVVGUBO-LBPRGKRZSA-N 1 1 301.387 -1.136 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001366870315 919390432 /nfs/dbraw/zinc/39/04/32/919390432.db2.gz LVYICQHUCSUPMB-QWRGUYRKSA-N 1 1 323.397 -1.009 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366898736 919391663 /nfs/dbraw/zinc/39/16/63/919391663.db2.gz ULXFXDYVBLZXIV-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001366898736 919391677 /nfs/dbraw/zinc/39/16/77/919391677.db2.gz ULXFXDYVBLZXIV-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001366866090 919392936 /nfs/dbraw/zinc/39/29/36/919392936.db2.gz NLBQGYCHHSLDOR-JTQLQIEISA-N 1 1 307.354 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001366924519 919396679 /nfs/dbraw/zinc/39/66/79/919396679.db2.gz PJQAPKVCWRAZTG-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001366924519 919396697 /nfs/dbraw/zinc/39/66/97/919396697.db2.gz PJQAPKVCWRAZTG-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO COC(=O)NCC(=O)NCC1C[NH+](CCNC(=O)C2CC2)C1 ZINC001366956346 919405807 /nfs/dbraw/zinc/40/58/07/919405807.db2.gz FGMYTXDKJLZMJS-UHFFFAOYSA-N 1 1 312.370 -1.083 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001366967284 919410743 /nfs/dbraw/zinc/41/07/43/919410743.db2.gz JRASPSAJFCVLPD-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001366967286 919411154 /nfs/dbraw/zinc/41/11/54/919411154.db2.gz JRASPSAJFCVLPD-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(CN1CCOCC1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366960460 919411230 /nfs/dbraw/zinc/41/12/30/919411230.db2.gz DVHMOPBIDHMOLQ-ZDUSSCGKSA-N 1 1 310.398 -1.355 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)CNC(=O)NC)C2)C1=O ZINC001366968731 919411247 /nfs/dbraw/zinc/41/12/47/919411247.db2.gz UDJFSHYBNPXMON-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CN3CCOCC3)C2)C1=O ZINC001366963021 919411636 /nfs/dbraw/zinc/41/16/36/919411636.db2.gz NVHTYCJFOQIJLC-ZDUSSCGKSA-N 1 1 310.398 -1.403 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001366981688 919415116 /nfs/dbraw/zinc/41/51/16/919415116.db2.gz AIZFKPVLIBGMPW-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001366997008 919418095 /nfs/dbraw/zinc/41/80/95/919418095.db2.gz DDZFHRRLPDLAAM-QWRGUYRKSA-N 1 1 324.385 -1.645 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001366997008 919418106 /nfs/dbraw/zinc/41/81/06/919418106.db2.gz DDZFHRRLPDLAAM-QWRGUYRKSA-N 1 1 324.385 -1.645 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(=O)N1C ZINC001366996607 919419140 /nfs/dbraw/zinc/41/91/40/919419140.db2.gz WMGIXCPATGPSEI-CYDGBPFRSA-N 1 1 311.382 -1.100 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001366993180 919419770 /nfs/dbraw/zinc/41/97/70/919419770.db2.gz IRLDRBRNBXOEOE-STQMWFEESA-N 1 1 312.414 -1.280 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001366993180 919419775 /nfs/dbraw/zinc/41/97/75/919419775.db2.gz IRLDRBRNBXOEOE-STQMWFEESA-N 1 1 312.414 -1.280 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001367005875 919420889 /nfs/dbraw/zinc/42/08/89/919420889.db2.gz CZJRQASIAWKFDX-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001367013746 919421522 /nfs/dbraw/zinc/42/15/22/919421522.db2.gz JWNJFQPFJNSMSD-USWWRNFRSA-N 1 1 314.386 -1.408 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001367008048 919422286 /nfs/dbraw/zinc/42/22/86/919422286.db2.gz WHGDXMNUYKDJNY-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001367008048 919422293 /nfs/dbraw/zinc/42/22/93/919422293.db2.gz WHGDXMNUYKDJNY-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001367005538 919422630 /nfs/dbraw/zinc/42/26/30/919422630.db2.gz BKDHWOFWQDNQMI-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001367005538 919422636 /nfs/dbraw/zinc/42/26/36/919422636.db2.gz BKDHWOFWQDNQMI-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001367007486 919422654 /nfs/dbraw/zinc/42/26/54/919422654.db2.gz RLHNLQSVCUDTFX-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C(=O)C1CC1 ZINC001367007486 919422660 /nfs/dbraw/zinc/42/26/60/919422660.db2.gz RLHNLQSVCUDTFX-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001367010283 919422776 /nfs/dbraw/zinc/42/27/76/919422776.db2.gz LFVFFUXRIHQZAQ-NWDGAFQWSA-N 1 1 324.385 -1.637 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001367017633 919424903 /nfs/dbraw/zinc/42/49/03/919424903.db2.gz FLZRQUWUJXNKHO-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367029346 919425898 /nfs/dbraw/zinc/42/58/98/919425898.db2.gz AYZMROZAOQBKMD-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001367029346 919425909 /nfs/dbraw/zinc/42/59/09/919425909.db2.gz AYZMROZAOQBKMD-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030413 919426223 /nfs/dbraw/zinc/42/62/23/919426223.db2.gz MOJCQUQQNJGCJQ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001367030413 919426230 /nfs/dbraw/zinc/42/62/30/919426230.db2.gz MOJCQUQQNJGCJQ-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001367029822 919426958 /nfs/dbraw/zinc/42/69/58/919426958.db2.gz GVIRBGYKORARDE-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001367029822 919426963 /nfs/dbraw/zinc/42/69/63/919426963.db2.gz GVIRBGYKORARDE-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001367021721 919427646 /nfs/dbraw/zinc/42/76/46/919427646.db2.gz DQNSNWQVAIWAPW-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001367021721 919427652 /nfs/dbraw/zinc/42/76/52/919427652.db2.gz DQNSNWQVAIWAPW-WCBMZHEXSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001367035332 919428870 /nfs/dbraw/zinc/42/88/70/919428870.db2.gz QHVNCZIMDRGABT-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001367048304 919429724 /nfs/dbraw/zinc/42/97/24/919429724.db2.gz VBIWSRLTPAMITR-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001367051684 919429898 /nfs/dbraw/zinc/42/98/98/919429898.db2.gz POVSMCGYORRTLY-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001367039863 919430057 /nfs/dbraw/zinc/43/00/57/919430057.db2.gz ZNWOMDAZTXNHCA-MXWKQRLJSA-N 1 1 311.386 -1.098 20 0 DAADMO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001367039863 919430073 /nfs/dbraw/zinc/43/00/73/919430073.db2.gz ZNWOMDAZTXNHCA-MXWKQRLJSA-N 1 1 311.386 -1.098 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001367051687 919430497 /nfs/dbraw/zinc/43/04/97/919430497.db2.gz POVSMCGYORRTLY-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001367042162 919430643 /nfs/dbraw/zinc/43/06/43/919430643.db2.gz HPECBONSLRQPGH-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001367035390 919431144 /nfs/dbraw/zinc/43/11/44/919431144.db2.gz BTVMMILVBXQLJK-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001367045111 919431333 /nfs/dbraw/zinc/43/13/33/919431333.db2.gz LLHQLZCIZMZNQG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)NC)C1 ZINC001367045111 919431339 /nfs/dbraw/zinc/43/13/39/919431339.db2.gz LLHQLZCIZMZNQG-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001367038581 919431951 /nfs/dbraw/zinc/43/19/51/919431951.db2.gz UNULSBUDIREUOQ-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001367038581 919431964 /nfs/dbraw/zinc/43/19/64/919431964.db2.gz UNULSBUDIREUOQ-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001367059652 919434364 /nfs/dbraw/zinc/43/43/64/919434364.db2.gz YIIKQBTXMINMRK-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367058625 919435402 /nfs/dbraw/zinc/43/54/02/919435402.db2.gz KSIKKBJMFSKALS-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367058625 919435411 /nfs/dbraw/zinc/43/54/11/919435411.db2.gz KSIKKBJMFSKALS-QWRGUYRKSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367058621 919435753 /nfs/dbraw/zinc/43/57/53/919435753.db2.gz KSIKKBJMFSKALS-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001367058621 919435758 /nfs/dbraw/zinc/43/57/58/919435758.db2.gz KSIKKBJMFSKALS-MNOVXSKESA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001367058763 919435851 /nfs/dbraw/zinc/43/58/51/919435851.db2.gz YOBMTYVLDSBUKE-LBPRGKRZSA-N 1 1 321.385 -1.268 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nncn1C ZINC001367117575 919437088 /nfs/dbraw/zinc/43/70/88/919437088.db2.gz XHIBUNLKXIOBNU-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[C@H](CNC(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001367108650 919439012 /nfs/dbraw/zinc/43/90/12/919439012.db2.gz WRDCCPQBFWJWPG-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@@H](CNC(=O)CCn1cnnn1)[NH2+]Cc1cn(C)nn1 ZINC001367134559 919439758 /nfs/dbraw/zinc/43/97/58/919439758.db2.gz AKKIRFSNEJAGDQ-JTQLQIEISA-N 1 1 307.362 -1.124 20 0 DAADMO Cn1ncc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C2CC2)n1 ZINC001367190016 919443150 /nfs/dbraw/zinc/44/31/50/919443150.db2.gz LWBFBBFKHCRLDU-RISCZKNCSA-N 1 1 321.385 -1.129 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001367190019 919443202 /nfs/dbraw/zinc/44/32/02/919443202.db2.gz LWBFBBFKHCRLDU-SMDDNHRTSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1nnn(C)n1 ZINC001367268196 919449203 /nfs/dbraw/zinc/44/92/03/919449203.db2.gz CVOSOXAUNDLECK-QMMMGPOBSA-N 1 1 306.330 -1.551 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCO1 ZINC001367292609 919449407 /nfs/dbraw/zinc/44/94/07/919449407.db2.gz CDDZFZCHQCOSLL-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)CC1=O ZINC001367298169 919452428 /nfs/dbraw/zinc/45/24/28/919452428.db2.gz DOIOVACQICXXHD-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CCCC[N@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001367302901 919452574 /nfs/dbraw/zinc/45/25/74/919452574.db2.gz HXSXXXMHYOFCRE-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001367309985 919454077 /nfs/dbraw/zinc/45/40/77/919454077.db2.gz SNJZPCVXBIZLDD-JTQLQIEISA-N 1 1 311.379 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001367309985 919454083 /nfs/dbraw/zinc/45/40/83/919454083.db2.gz SNJZPCVXBIZLDD-JTQLQIEISA-N 1 1 311.379 -1.288 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)CCO1 ZINC001367304946 919454882 /nfs/dbraw/zinc/45/48/82/919454882.db2.gz LSZUKOGPRYUZDC-NWDGAFQWSA-N 1 1 309.370 -1.118 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(C[NH+]([C@H](C)C(N)=O)C2)CC1 ZINC001367336772 919458239 /nfs/dbraw/zinc/45/82/39/919458239.db2.gz PTOUZOOGYWHWRG-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001367322265 919458743 /nfs/dbraw/zinc/45/87/43/919458743.db2.gz YVBQDLCBWYSRMM-STQMWFEESA-N 1 1 324.385 -1.083 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(C[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001367336771 919458969 /nfs/dbraw/zinc/45/89/69/919458969.db2.gz PTOUZOOGYWHWRG-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)CN1CCOCC1=O ZINC001367363326 919461431 /nfs/dbraw/zinc/46/14/31/919461431.db2.gz ZHIMHPNVDVOKMM-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001367431210 919466132 /nfs/dbraw/zinc/46/61/32/919466132.db2.gz YLOMUKCNURTTRP-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ncnn1C)C(C)C ZINC001367474509 919467394 /nfs/dbraw/zinc/46/73/94/919467394.db2.gz OPNZPWCJSZIPOM-JTQLQIEISA-N 1 1 311.390 -1.026 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1C ZINC001367478275 919469727 /nfs/dbraw/zinc/46/97/27/919469727.db2.gz HSYXYUVOYJTTFD-NXEZZACHSA-N 1 1 309.374 -1.273 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ncnn1C)C(C)C ZINC001367474511 919469815 /nfs/dbraw/zinc/46/98/15/919469815.db2.gz OPNZPWCJSZIPOM-SNVBAGLBSA-N 1 1 311.390 -1.026 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CN(C)CCO1 ZINC001367509009 919469935 /nfs/dbraw/zinc/46/99/35/919469935.db2.gz QMTPBPSNZZYVAY-CYBMUJFWSA-N 1 1 310.402 -1.001 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001367519167 919471323 /nfs/dbraw/zinc/47/13/23/919471323.db2.gz SCWVHELGBLGEDH-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001367530954 919471487 /nfs/dbraw/zinc/47/14/87/919471487.db2.gz CGTRZMIKEDTNRH-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001367530954 919471494 /nfs/dbraw/zinc/47/14/94/919471494.db2.gz CGTRZMIKEDTNRH-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001367539461 919471979 /nfs/dbraw/zinc/47/19/79/919471979.db2.gz YSXULPNXOYYQRQ-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001367529961 919472999 /nfs/dbraw/zinc/47/29/99/919472999.db2.gz BXPAMPAPSFWTEZ-JTQLQIEISA-N 1 1 315.374 -1.514 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001367529961 919473006 /nfs/dbraw/zinc/47/30/06/919473006.db2.gz BXPAMPAPSFWTEZ-JTQLQIEISA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001367530248 919473162 /nfs/dbraw/zinc/47/31/62/919473162.db2.gz ACUXYDJEQYXICV-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001367530248 919473165 /nfs/dbraw/zinc/47/31/65/919473165.db2.gz ACUXYDJEQYXICV-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001367539056 919473199 /nfs/dbraw/zinc/47/31/99/919473199.db2.gz WZFUHXQZQBLATP-GRYCIOLGSA-N 1 1 317.386 -1.583 20 0 DAADMO COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001367519424 919473311 /nfs/dbraw/zinc/47/33/11/919473311.db2.gz YBGQQVZBECASMZ-SNVBAGLBSA-N 1 1 312.374 -1.198 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367530228 919473446 /nfs/dbraw/zinc/47/34/46/919473446.db2.gz ACAYCMPLJQZIQE-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001367530228 919473450 /nfs/dbraw/zinc/47/34/50/919473450.db2.gz ACAYCMPLJQZIQE-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)CCN1CCNC1=O ZINC001367511185 919474163 /nfs/dbraw/zinc/47/41/63/919474163.db2.gz IWHZUYMWTVZLLZ-JTQLQIEISA-N 1 1 314.390 -1.541 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001367514999 919474402 /nfs/dbraw/zinc/47/44/02/919474402.db2.gz HQAOVPZSTADBAC-GFCCVEGCSA-N 1 1 317.386 -1.757 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001367547517 919476291 /nfs/dbraw/zinc/47/62/91/919476291.db2.gz NUPYUSCFHAECFB-VIFPVBQESA-N 1 1 312.374 -1.846 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)c(=O)n1C ZINC001367547517 919476294 /nfs/dbraw/zinc/47/62/94/919476294.db2.gz NUPYUSCFHAECFB-VIFPVBQESA-N 1 1 312.374 -1.846 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nnnn2C)C1 ZINC001367560536 919477018 /nfs/dbraw/zinc/47/70/18/919477018.db2.gz KQCVBGIVWPNMHP-NEPJUHHUSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nnnn2C)C1 ZINC001367560536 919477033 /nfs/dbraw/zinc/47/70/33/919477033.db2.gz KQCVBGIVWPNMHP-NEPJUHHUSA-N 1 1 321.385 -1.231 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001367564052 919477127 /nfs/dbraw/zinc/47/71/27/919477127.db2.gz GBRSJUXDKGFJNA-ONGXEEELSA-N 1 1 312.374 -1.579 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1CCOCC1)c1nnnn1C ZINC001367562463 919477244 /nfs/dbraw/zinc/47/72/44/919477244.db2.gz KINMIJPJKKYRKD-GXSJLCMTSA-N 1 1 312.374 -1.236 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001367542727 919477392 /nfs/dbraw/zinc/47/73/92/919477392.db2.gz ZBELJVJWDXVOHB-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001367542727 919477402 /nfs/dbraw/zinc/47/74/02/919477402.db2.gz ZBELJVJWDXVOHB-VIFPVBQESA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001367564043 919477657 /nfs/dbraw/zinc/47/76/57/919477657.db2.gz GBRSJUXDKGFJNA-MWLCHTKSSA-N 1 1 312.374 -1.579 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)Cn1cncn1 ZINC001367551503 919478540 /nfs/dbraw/zinc/47/85/40/919478540.db2.gz JEVKXFHXZPATQM-CYBMUJFWSA-N 1 1 321.385 -1.074 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCCO1 ZINC001367569063 919479961 /nfs/dbraw/zinc/47/99/61/919479961.db2.gz IYMJHSDZJUVMDK-MNOVXSKESA-N 1 1 310.358 -1.246 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)[C@@H]1CCCO1 ZINC001367566204 919480158 /nfs/dbraw/zinc/48/01/58/919480158.db2.gz DFXKBLOSIIJMLU-MNOVXSKESA-N 1 1 315.349 -1.007 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001367570484 919480637 /nfs/dbraw/zinc/48/06/37/919480637.db2.gz RLMCOBPSTOJJCB-QMMMGPOBSA-N 1 1 301.303 -1.699 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001367570910 919481406 /nfs/dbraw/zinc/48/14/06/919481406.db2.gz LGZAOYFEZINODQ-GFCCVEGCSA-N 1 1 309.370 -1.170 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001367570470 919481496 /nfs/dbraw/zinc/48/14/96/919481496.db2.gz RLMCOBPSTOJJCB-MRVPVSSYSA-N 1 1 301.303 -1.699 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)OC)n1 ZINC001367574073 919485158 /nfs/dbraw/zinc/48/51/58/919485158.db2.gz YQCWULPRMOWAKV-SNVBAGLBSA-N 1 1 314.346 -1.779 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)on1 ZINC001367576182 919486787 /nfs/dbraw/zinc/48/67/87/919486787.db2.gz QUDRLNDSPJFOTF-VIFPVBQESA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)[nH]1 ZINC001367579778 919486858 /nfs/dbraw/zinc/48/68/58/919486858.db2.gz FMQAOWTYMCSBFV-CBAPKCEASA-N 1 1 319.387 -1.715 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001367579718 919487139 /nfs/dbraw/zinc/48/71/39/919487139.db2.gz JUXUEKSSNXPQJZ-GXSJLCMTSA-N 1 1 310.358 -2.140 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)C1 ZINC001367579449 919487341 /nfs/dbraw/zinc/48/73/41/919487341.db2.gz INYINSXCFBSHIW-LLVKDONJSA-N 1 1 310.358 -2.140 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1cc(C)on1 ZINC001367577485 919487738 /nfs/dbraw/zinc/48/77/38/919487738.db2.gz BNOXBTWOWGDBAL-LLVKDONJSA-N 1 1 313.358 -1.131 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001367575993 919487769 /nfs/dbraw/zinc/48/77/69/919487769.db2.gz YZCNLTOBOVBBNW-GHMZBOCLSA-N 1 1 324.385 -1.575 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)c1N ZINC001367576109 919488200 /nfs/dbraw/zinc/48/82/00/919488200.db2.gz QJXNHNIQFYKFNT-SECBINFHSA-N 1 1 305.342 -1.327 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001367575922 919488679 /nfs/dbraw/zinc/48/86/79/919488679.db2.gz ACMUNOVNJPINCT-VIFPVBQESA-N 1 1 309.330 -1.305 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]n1 ZINC001367582582 919490081 /nfs/dbraw/zinc/49/00/81/919490081.db2.gz JBQTUNKHUWKBIJ-DTWKUNHWSA-N 1 1 308.346 -1.317 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)o1 ZINC001367580008 919491562 /nfs/dbraw/zinc/49/15/62/919491562.db2.gz FYIFYUPPTOSZOA-JTQLQIEISA-N 1 1 306.326 -1.023 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001367580405 919491835 /nfs/dbraw/zinc/49/18/35/919491835.db2.gz FHUPNUWHWPONKB-SECBINFHSA-N 1 1 309.330 -1.305 20 0 DAADMO Cn1nccc1CCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367580873 919492069 /nfs/dbraw/zinc/49/20/69/919492069.db2.gz ACEGFVADSBYPFE-LLVKDONJSA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cnn1 ZINC001367580000 919492218 /nfs/dbraw/zinc/49/22/18/919492218.db2.gz JNUIEJUMMCOZLN-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001367584466 919494136 /nfs/dbraw/zinc/49/41/36/919494136.db2.gz FZMDWOSLCIXFGP-ZDUSSCGKSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ccc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001367584464 919495112 /nfs/dbraw/zinc/49/51/12/919495112.db2.gz FZMDWOSLCIXFGP-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001367583361 919495379 /nfs/dbraw/zinc/49/53/79/919495379.db2.gz QBLWBARCWWACOG-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001367584388 919496031 /nfs/dbraw/zinc/49/60/31/919496031.db2.gz RJXRWYLOYVSPCF-RKDXNWHRSA-N 1 1 301.347 -2.658 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367583723 919496242 /nfs/dbraw/zinc/49/62/42/919496242.db2.gz OMFDNXIJZLXMFG-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCc1[nH]ccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001367587166 919497722 /nfs/dbraw/zinc/49/77/22/919497722.db2.gz RNDNFDXNOVJIJB-SECBINFHSA-N 1 1 307.358 -1.019 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2ccncn2)nn1 ZINC001367586433 919497910 /nfs/dbraw/zinc/49/79/10/919497910.db2.gz IFLHZAPRRKCOHQ-CYBMUJFWSA-N 1 1 319.369 -1.195 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)CC1=O ZINC001367586973 919498662 /nfs/dbraw/zinc/49/86/62/919498662.db2.gz WPZSRQVNRFGXRN-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO CCN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)CC1=O ZINC001367586975 919499154 /nfs/dbraw/zinc/49/91/54/919499154.db2.gz WPZSRQVNRFGXRN-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)c(C)o1 ZINC001367587215 919499547 /nfs/dbraw/zinc/49/95/47/919499547.db2.gz UXFAKXODSVVXTL-KOLCDFICSA-N 1 1 312.326 -1.033 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001367589690 919501109 /nfs/dbraw/zinc/50/11/09/919501109.db2.gz VFEZWSJUWTTYAJ-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1)c1nnnn1C ZINC001367588204 919503080 /nfs/dbraw/zinc/50/30/80/919503080.db2.gz ZTZVFFAHBUEBMA-ONGXEEELSA-N 1 1 322.373 -1.686 20 0 DAADMO COCC1(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CCC1 ZINC001367596551 919508260 /nfs/dbraw/zinc/50/82/60/919508260.db2.gz DGGGGMZQPGKBBX-JTQLQIEISA-N 1 1 312.374 -1.407 20 0 DAADMO COCC1(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)CCC1 ZINC001367596552 919508284 /nfs/dbraw/zinc/50/82/84/919508284.db2.gz DGGGGMZQPGKBBX-SNVBAGLBSA-N 1 1 312.374 -1.407 20 0 DAADMO O=C(Cn1cc(C2CC2)nn1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367596107 919508950 /nfs/dbraw/zinc/50/89/50/919508950.db2.gz YJRFZASUPXMDOR-LLVKDONJSA-N 1 1 321.341 -1.195 20 0 DAADMO CN1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001367594838 919509541 /nfs/dbraw/zinc/50/95/41/919509541.db2.gz SMKUZAQNIQYHKJ-OLZOCXBDSA-N 1 1 312.414 -1.184 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1)c1nncn1C ZINC001367602389 919515890 /nfs/dbraw/zinc/51/58/90/919515890.db2.gz OOPOGJBULNWQOE-DTWKUNHWSA-N 1 1 323.357 -1.304 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)no1 ZINC001367602494 919516660 /nfs/dbraw/zinc/51/66/60/919516660.db2.gz PXMSUAMIMLBACE-SNVBAGLBSA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)no1 ZINC001367602488 919517217 /nfs/dbraw/zinc/51/72/17/919517217.db2.gz PXMSUAMIMLBACE-JTQLQIEISA-N 1 1 307.310 -1.053 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001367601344 919518195 /nfs/dbraw/zinc/51/81/95/919518195.db2.gz BVELOZABZRLRQL-NSHDSACASA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001367601507 919518270 /nfs/dbraw/zinc/51/82/70/919518270.db2.gz PFNYAMJTNJQHJJ-LLVKDONJSA-N 1 1 320.357 -1.800 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)n1 ZINC001367604950 919520908 /nfs/dbraw/zinc/52/09/08/919520908.db2.gz WHRAUQUCUDQOJC-PWSUYJOCSA-N 1 1 324.385 -1.750 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)n1 ZINC001367604954 919520958 /nfs/dbraw/zinc/52/09/58/919520958.db2.gz WHRAUQUCUDQOJC-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)c1[nH]nc2c1CCC2 ZINC001367609034 919523677 /nfs/dbraw/zinc/52/36/77/919523677.db2.gz PVOMZOXVUITLFI-JOYOIKCWSA-N 1 1 321.381 -1.143 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001367609373 919526139 /nfs/dbraw/zinc/52/61/39/919526139.db2.gz RGVATNWVWQHZCK-XQQFMLRXSA-N 1 1 303.403 -1.455 20 0 DAADMO CCc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001367612038 919527564 /nfs/dbraw/zinc/52/75/64/919527564.db2.gz YFTRCWADORUOLQ-VIFPVBQESA-N 1 1 322.373 -1.614 20 0 DAADMO COc1cncc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367613906 919528474 /nfs/dbraw/zinc/52/84/74/919528474.db2.gz ACIPWNGFSHHIMR-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCNC(=O)CC2)n1 ZINC001367610646 919528949 /nfs/dbraw/zinc/52/89/49/919528949.db2.gz NKMNULIFFRNMJC-PWSUYJOCSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)c1nnnn1C ZINC001367614847 919531297 /nfs/dbraw/zinc/53/12/97/919531297.db2.gz GAWQZBXNUCQONG-WCBMZHEXSA-N 1 1 321.341 -1.248 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cccnn2)n1 ZINC001367616148 919531429 /nfs/dbraw/zinc/53/14/29/919531429.db2.gz SIYOPBHOBCIQLW-LLVKDONJSA-N 1 1 305.342 -1.032 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cccnn1 ZINC001367618213 919531612 /nfs/dbraw/zinc/53/16/12/919531612.db2.gz YATRZIRIZBILCU-SNVBAGLBSA-N 1 1 318.341 -1.322 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2cnccn2)nn1 ZINC001367617212 919531668 /nfs/dbraw/zinc/53/16/68/919531668.db2.gz IZDMVBXHYRSIHF-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001367618145 919532956 /nfs/dbraw/zinc/53/29/56/919532956.db2.gz XQWCMHOISACNAR-SNVBAGLBSA-N 1 1 311.371 -1.213 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001367619773 919534667 /nfs/dbraw/zinc/53/46/67/919534667.db2.gz PZUOKFPCDPPNDD-GFCCVEGCSA-N 1 1 322.373 -1.857 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(CC)nn2)nn1 ZINC001367621364 919535036 /nfs/dbraw/zinc/53/50/36/919535036.db2.gz VGYKDPZGPMYOAN-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001367619514 919535559 /nfs/dbraw/zinc/53/55/59/919535559.db2.gz OGPOSNUNAJKRPB-QWRGUYRKSA-N 1 1 312.374 -1.704 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)ncn1 ZINC001367622733 919535949 /nfs/dbraw/zinc/53/59/49/919535949.db2.gz NXPHPKZLSCUBKO-NSHDSACASA-N 1 1 305.342 -1.287 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001367625718 919539275 /nfs/dbraw/zinc/53/92/75/919539275.db2.gz RILGLIOWGXVIEM-QWRGUYRKSA-N 1 1 324.385 -1.577 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001367626627 919539865 /nfs/dbraw/zinc/53/98/65/919539865.db2.gz ZXOIDGXUJMYABV-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc2cnn[nH]2)C1=O ZINC001367626627 919539875 /nfs/dbraw/zinc/53/98/75/919539875.db2.gz ZXOIDGXUJMYABV-VXGBXAGGSA-N 1 1 324.385 -1.575 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNCc1ncnn1C ZINC001367624807 919541334 /nfs/dbraw/zinc/54/13/34/919541334.db2.gz NEKDTXTUWYJDFW-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)o1 ZINC001367630002 919544229 /nfs/dbraw/zinc/54/42/29/919544229.db2.gz LRVHLIHTZMDKLS-SNVBAGLBSA-N 1 1 323.353 -1.099 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)n2)o1 ZINC001367633018 919548606 /nfs/dbraw/zinc/54/86/06/919548606.db2.gz VBQGLAIEZALDRF-SNVBAGLBSA-N 1 1 321.337 -1.043 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367670560 919550463 /nfs/dbraw/zinc/55/04/63/919550463.db2.gz XSZFIQIWGYWDTI-MNOVXSKESA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367662407 919551891 /nfs/dbraw/zinc/55/18/91/919551891.db2.gz LQQUFUPVBJUWRY-ZJUUUORDSA-N 1 1 310.358 -1.950 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc(C2CC2)[nH]1)NC(=O)Cn1cnnn1 ZINC001367656790 919552530 /nfs/dbraw/zinc/55/25/30/919552530.db2.gz ZUXCOPMROFQTAN-MRVPVSSYSA-N 1 1 305.346 -1.037 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001367651492 919552758 /nfs/dbraw/zinc/55/27/58/919552758.db2.gz DORKAERMSBVFGF-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001367651492 919552765 /nfs/dbraw/zinc/55/27/65/919552765.db2.gz DORKAERMSBVFGF-SNVBAGLBSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)Cn1ncn(C)c1=O ZINC001367686455 919554635 /nfs/dbraw/zinc/55/46/35/919554635.db2.gz ZEYJOXDPZUBOCG-NXEZZACHSA-N 1 1 322.373 -1.434 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)CN(C)S(C)(=O)=O ZINC001367674273 919554893 /nfs/dbraw/zinc/55/48/93/919554893.db2.gz FZDFLUCUPPXKLL-MRVPVSSYSA-N 1 1 305.360 -1.445 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001367685521 919555837 /nfs/dbraw/zinc/55/58/37/919555837.db2.gz SBPWXSRGLQKSCV-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO CO[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001367686776 919555912 /nfs/dbraw/zinc/55/59/12/919555912.db2.gz LOGNOIRBXIUMKY-SKDRFNHKSA-N 1 1 322.373 -1.074 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)c1cnn[nH]1 ZINC001367683875 919556592 /nfs/dbraw/zinc/55/65/92/919556592.db2.gz LBSIJUGHLWOZHC-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367711590 919557395 /nfs/dbraw/zinc/55/73/95/919557395.db2.gz UCVIVSHZKSSWBN-BDAKNGLRSA-N 1 1 320.357 -1.227 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1ncccn1 ZINC001367714908 919558052 /nfs/dbraw/zinc/55/80/52/919558052.db2.gz FTCXJJWTOWFOJD-SECBINFHSA-N 1 1 301.372 -1.380 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367714855 919558237 /nfs/dbraw/zinc/55/82/37/919558237.db2.gz HNYWZBZSTQPCPN-UTLUCORTSA-N 1 1 324.389 -1.092 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001367712598 919559027 /nfs/dbraw/zinc/55/90/27/919559027.db2.gz UOBPUXNUZQOZTA-MRVPVSSYSA-N 1 1 319.387 -1.136 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001367715994 919559060 /nfs/dbraw/zinc/55/90/60/919559060.db2.gz NALNZLBDKWHIQR-MRVPVSSYSA-N 1 1 304.376 -2.041 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CC1CS(=O)(=O)C1 ZINC001367741583 919566562 /nfs/dbraw/zinc/56/65/62/919566562.db2.gz BMZBPZFBJMJECL-QMMMGPOBSA-N 1 1 316.387 -1.761 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001367755983 919566724 /nfs/dbraw/zinc/56/67/24/919566724.db2.gz ACXPSURLBDSCLK-QMMMGPOBSA-N 1 1 318.403 -1.372 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)CN1CCN(C)C(=O)C1 ZINC001367743239 919567303 /nfs/dbraw/zinc/56/73/03/919567303.db2.gz OHQKDLDPTBWMEA-JTQLQIEISA-N 1 1 310.358 -1.562 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001367743829 919567419 /nfs/dbraw/zinc/56/74/19/919567419.db2.gz SRDNCEKQQCSRMD-QMMMGPOBSA-N 1 1 308.346 -1.697 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001367742734 919567472 /nfs/dbraw/zinc/56/74/72/919567472.db2.gz KRSZXVUAMQVGCG-NSHDSACASA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001367776050 919568462 /nfs/dbraw/zinc/56/84/62/919568462.db2.gz WXNONZXQBAKEIQ-IUCAKERBSA-N 1 1 318.403 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001367783722 919568874 /nfs/dbraw/zinc/56/88/74/919568874.db2.gz RMPZPKXSTHSFQK-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001367783722 919568886 /nfs/dbraw/zinc/56/88/86/919568886.db2.gz RMPZPKXSTHSFQK-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H]1CCc2ncnn21)NC(=O)Cn1ncnn1 ZINC001367804340 919574068 /nfs/dbraw/zinc/57/40/68/919574068.db2.gz IZJZYWPIKWIFQU-GHMZBOCLSA-N 1 1 319.373 -1.111 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367805000 919574735 /nfs/dbraw/zinc/57/47/35/919574735.db2.gz NGAYTAGIJISZGH-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001367805000 919574739 /nfs/dbraw/zinc/57/47/39/919574739.db2.gz NGAYTAGIJISZGH-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@H]1CCc2ncnn21)NC(=O)Cn1ncnn1 ZINC001367804354 919575131 /nfs/dbraw/zinc/57/51/31/919575131.db2.gz IZJZYWPIKWIFQU-WDEREUQCSA-N 1 1 319.373 -1.111 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001367813815 919575698 /nfs/dbraw/zinc/57/56/98/919575698.db2.gz XNRBACLOMHUPHO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001367813815 919575704 /nfs/dbraw/zinc/57/57/04/919575704.db2.gz XNRBACLOMHUPHO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001367795400 919575978 /nfs/dbraw/zinc/57/59/78/919575978.db2.gz SEEXMGXBHXVUPI-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001367795400 919575983 /nfs/dbraw/zinc/57/59/83/919575983.db2.gz SEEXMGXBHXVUPI-VHSXEESVSA-N 1 1 316.358 -1.706 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793567 919575998 /nfs/dbraw/zinc/57/59/98/919575998.db2.gz MSFFVURWHWUVAB-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cc[nH]n1 ZINC001367793567 919576005 /nfs/dbraw/zinc/57/60/05/919576005.db2.gz MSFFVURWHWUVAB-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001367851851 919577773 /nfs/dbraw/zinc/57/77/73/919577773.db2.gz HZOKHPGBGQMAIF-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC001367851851 919577788 /nfs/dbraw/zinc/57/77/88/919577788.db2.gz HZOKHPGBGQMAIF-SNVBAGLBSA-N 1 1 322.431 -1.598 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cncn1C ZINC001367852134 919577873 /nfs/dbraw/zinc/57/78/73/919577873.db2.gz ITQRUAWQOIEPBM-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cncn1C ZINC001367852134 919577879 /nfs/dbraw/zinc/57/78/79/919577879.db2.gz ITQRUAWQOIEPBM-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001367845478 919578249 /nfs/dbraw/zinc/57/82/49/919578249.db2.gz VLSYHUIDXCHDGO-LLVKDONJSA-N 1 1 324.389 -1.475 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)n1 ZINC001367857536 919579337 /nfs/dbraw/zinc/57/93/37/919579337.db2.gz WBRLWHAAOSWCAC-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)n1 ZINC001367857536 919579352 /nfs/dbraw/zinc/57/93/52/919579352.db2.gz WBRLWHAAOSWCAC-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001367856860 919579580 /nfs/dbraw/zinc/57/95/80/919579580.db2.gz BNBRFHWDMXMFPP-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001367856860 919579590 /nfs/dbraw/zinc/57/95/90/919579590.db2.gz BNBRFHWDMXMFPP-MRVPVSSYSA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001367878084 919581330 /nfs/dbraw/zinc/58/13/30/919581330.db2.gz BCRYDXPFDYFDNF-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001367878084 919581337 /nfs/dbraw/zinc/58/13/37/919581337.db2.gz BCRYDXPFDYFDNF-MRVPVSSYSA-N 1 1 311.346 -1.679 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887817 919582033 /nfs/dbraw/zinc/58/20/33/919582033.db2.gz RWAXHGYLJUZIDD-QWRGUYRKSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001367887817 919582048 /nfs/dbraw/zinc/58/20/48/919582048.db2.gz RWAXHGYLJUZIDD-QWRGUYRKSA-N 1 1 311.386 -2.257 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870887 919582133 /nfs/dbraw/zinc/58/21/33/919582133.db2.gz VBRIUTKDJFFSKS-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870887 919582148 /nfs/dbraw/zinc/58/21/48/919582148.db2.gz VBRIUTKDJFFSKS-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870881 919582564 /nfs/dbraw/zinc/58/25/64/919582564.db2.gz VBRIUTKDJFFSKS-NXEZZACHSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001367870881 919582580 /nfs/dbraw/zinc/58/25/80/919582580.db2.gz VBRIUTKDJFFSKS-NXEZZACHSA-N 1 1 309.370 -1.338 20 0 DAADMO CN1C[C@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)CC1=O ZINC001367909584 919584088 /nfs/dbraw/zinc/58/40/88/919584088.db2.gz ZTPICEVOGRPGLS-GHMZBOCLSA-N 1 1 321.385 -1.327 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367888057 919584656 /nfs/dbraw/zinc/58/46/56/919584656.db2.gz RWYGVJJSWRFQGV-QWRGUYRKSA-N 1 1 313.402 -1.881 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001367897332 919584791 /nfs/dbraw/zinc/58/47/91/919584791.db2.gz DWOHYWKWZDJDLO-SECBINFHSA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1nnc(C(=O)N[C@H](C[NH2+]Cc2ncnn2C)C2CC2)n1 ZINC001367906014 919585471 /nfs/dbraw/zinc/58/54/71/919585471.db2.gz LJCQZMBNWZKQJV-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367893897 919585918 /nfs/dbraw/zinc/58/59/18/919585918.db2.gz VMLXQWNXENORQE-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367893897 919585933 /nfs/dbraw/zinc/58/59/33/919585933.db2.gz VMLXQWNXENORQE-GHMZBOCLSA-N 1 1 313.402 -1.029 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)n1 ZINC001367934501 919587836 /nfs/dbraw/zinc/58/78/36/919587836.db2.gz FZWCHNAXLOHHBW-LBPRGKRZSA-N 1 1 319.373 -1.228 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)n1 ZINC001367934501 919587847 /nfs/dbraw/zinc/58/78/47/919587847.db2.gz FZWCHNAXLOHHBW-LBPRGKRZSA-N 1 1 319.373 -1.228 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953338 919593431 /nfs/dbraw/zinc/59/34/31/919593431.db2.gz QRNXUPYYPDHCMJ-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001367963885 919595774 /nfs/dbraw/zinc/59/57/74/919595774.db2.gz VEQHIRBOQCVQIZ-NSHDSACASA-N 1 1 300.359 -2.188 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cnn(C)n1 ZINC001367961504 919596413 /nfs/dbraw/zinc/59/64/13/919596413.db2.gz PJXBDRUFFWYPGX-CHWSQXEVSA-N 1 1 311.386 -1.055 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001367978638 919600788 /nfs/dbraw/zinc/60/07/88/919600788.db2.gz QEBDFMMYWAVIEF-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001367978638 919600799 /nfs/dbraw/zinc/60/07/99/919600799.db2.gz QEBDFMMYWAVIEF-WDEREUQCSA-N 1 1 322.365 -1.008 20 0 DAADMO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)c1nncn1C ZINC001368022507 919602799 /nfs/dbraw/zinc/60/27/99/919602799.db2.gz LTHREKFHUQZFMC-BDAKNGLRSA-N 1 1 307.358 -1.204 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001368065080 919607039 /nfs/dbraw/zinc/60/70/39/919607039.db2.gz VASXUDSMRUBTNI-IUODEOHRSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001368061725 919608184 /nfs/dbraw/zinc/60/81/84/919608184.db2.gz LZFOFHDHLZNRIB-ZDUSSCGKSA-N 1 1 309.370 -1.477 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001368074203 919610618 /nfs/dbraw/zinc/61/06/18/919610618.db2.gz FDXAFZQSOUHNRK-KOLCDFICSA-N 1 1 302.375 -1.417 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001368074208 919611568 /nfs/dbraw/zinc/61/15/68/919611568.db2.gz FDXAFZQSOUHNRK-MWLCHTKSSA-N 1 1 302.375 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001368138984 919618990 /nfs/dbraw/zinc/61/89/90/919618990.db2.gz NRMRWTHTTSZSSZ-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CCNC(N)=O)nn1 ZINC001368116664 919619099 /nfs/dbraw/zinc/61/90/99/919619099.db2.gz OINQPLWNGJXSIC-NSHDSACASA-N 1 1 309.374 -1.046 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163619 919622431 /nfs/dbraw/zinc/62/24/31/919622431.db2.gz QFNZMYWDXPVWLB-QMTHXVAHSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2ncn(C)c2=O)C1 ZINC001368163619 919622442 /nfs/dbraw/zinc/62/24/42/919622442.db2.gz QFNZMYWDXPVWLB-QMTHXVAHSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001368151868 919622578 /nfs/dbraw/zinc/62/25/78/919622578.db2.gz JVAGXJCZWXXLMG-AWEZNQCLSA-N 1 1 323.353 -2.387 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001368151868 919622590 /nfs/dbraw/zinc/62/25/90/919622590.db2.gz JVAGXJCZWXXLMG-AWEZNQCLSA-N 1 1 323.353 -2.387 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001368151169 919622654 /nfs/dbraw/zinc/62/26/54/919622654.db2.gz JCKWGUMWABGPHK-IAQYHMDHSA-N 1 1 324.381 -1.492 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368156593 919622891 /nfs/dbraw/zinc/62/28/91/919622891.db2.gz RKXACLDYKFVEBY-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368156593 919622903 /nfs/dbraw/zinc/62/29/03/919622903.db2.gz RKXACLDYKFVEBY-NSHDSACASA-N 1 1 306.388 -2.008 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368151383 919623110 /nfs/dbraw/zinc/62/31/10/919623110.db2.gz JJEBGFWFNUZXGY-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001368151383 919623119 /nfs/dbraw/zinc/62/31/19/919623119.db2.gz JJEBGFWFNUZXGY-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001368161815 919623477 /nfs/dbraw/zinc/62/34/77/919623477.db2.gz RKZXOEMGIMVOQI-GXFFZTMASA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158296 919623500 /nfs/dbraw/zinc/62/35/00/919623500.db2.gz CDNPHEDTPKCFFQ-IINYFYTJSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368158296 919623504 /nfs/dbraw/zinc/62/35/04/919623504.db2.gz CDNPHEDTPKCFFQ-IINYFYTJSA-N 1 1 311.386 -2.127 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001368156372 919623553 /nfs/dbraw/zinc/62/35/53/919623553.db2.gz TXVXFISROMFALX-CWSCBRNRSA-N 1 1 302.375 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 ZINC001368155754 919623768 /nfs/dbraw/zinc/62/37/68/919623768.db2.gz UUCNRKCRSJPWRL-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)CN2CCOCC2)C1 ZINC001368155754 919623774 /nfs/dbraw/zinc/62/37/74/919623774.db2.gz UUCNRKCRSJPWRL-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+](Cc2ccns2)C1 ZINC001368241456 919630088 /nfs/dbraw/zinc/63/00/88/919630088.db2.gz KHHRWQRRGQKZLN-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](Cc2ccns2)C1 ZINC001368241456 919630095 /nfs/dbraw/zinc/63/00/95/919630095.db2.gz KHHRWQRRGQKZLN-GFCCVEGCSA-N 1 1 323.382 -1.117 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccon2)C1 ZINC001368244224 919630122 /nfs/dbraw/zinc/63/01/22/919630122.db2.gz DPJYVYSOEXIELZ-YGRLFVJLSA-N 1 1 310.354 -1.095 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001368244590 919630340 /nfs/dbraw/zinc/63/03/40/919630340.db2.gz JTWRQQSMVIQGPF-FZMZJTMJSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001368244590 919630348 /nfs/dbraw/zinc/63/03/48/919630348.db2.gz JTWRQQSMVIQGPF-FZMZJTMJSA-N 1 1 307.354 -1.227 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC)n2)C1 ZINC001368244580 919630456 /nfs/dbraw/zinc/63/04/56/919630456.db2.gz CEROSTZNWIGWCD-BXUZGUMPSA-N 1 1 324.385 -1.272 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001368242309 919632822 /nfs/dbraw/zinc/63/28/22/919632822.db2.gz AUALWKAGGOOQJJ-NHYWBVRUSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1ccc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001368242309 919632842 /nfs/dbraw/zinc/63/28/42/919632842.db2.gz AUALWKAGGOOQJJ-NHYWBVRUSA-N 1 1 323.397 -1.128 20 0 DAADMO Cn1cccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001368248712 919634533 /nfs/dbraw/zinc/63/45/33/919634533.db2.gz BXTKFSBAGWMORM-AWEZNQCLSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1cccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001368248712 919634543 /nfs/dbraw/zinc/63/45/43/919634543.db2.gz BXTKFSBAGWMORM-AWEZNQCLSA-N 1 1 323.353 -1.613 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001368244981 919634753 /nfs/dbraw/zinc/63/47/53/919634753.db2.gz ICEVJORXYIBWPS-AWEZNQCLSA-N 1 1 312.370 -2.092 20 0 DAADMO CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001368244981 919634759 /nfs/dbraw/zinc/63/47/59/919634759.db2.gz ICEVJORXYIBWPS-AWEZNQCLSA-N 1 1 312.370 -2.092 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368246040 919634881 /nfs/dbraw/zinc/63/48/81/919634881.db2.gz HNSGREKULIVLQU-SMDDNHRTSA-N 1 1 307.354 -1.606 20 0 DAADMO O=C(Cc1cc[nH]n1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368246040 919634888 /nfs/dbraw/zinc/63/48/88/919634888.db2.gz HNSGREKULIVLQU-SMDDNHRTSA-N 1 1 307.354 -1.606 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001368249764 919635003 /nfs/dbraw/zinc/63/50/03/919635003.db2.gz LWHWDHAOIQCKFT-DOMZBBRYSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)o1 ZINC001368249764 919635010 /nfs/dbraw/zinc/63/50/10/919635010.db2.gz LWHWDHAOIQCKFT-DOMZBBRYSA-N 1 1 322.365 -1.033 20 0 DAADMO CCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001368245648 919635737 /nfs/dbraw/zinc/63/57/37/919635737.db2.gz MNWIJSQDDDCAEU-FZMZJTMJSA-N 1 1 301.387 -1.164 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001368248515 919636594 /nfs/dbraw/zinc/63/65/94/919636594.db2.gz JYZMXOXGYSAVQX-JQWIXIFHSA-N 1 1 323.415 -2.011 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001368246080 919636739 /nfs/dbraw/zinc/63/67/39/919636739.db2.gz LQOFKMNCCADMSU-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001368246080 919636750 /nfs/dbraw/zinc/63/67/50/919636750.db2.gz LQOFKMNCCADMSU-YGRLFVJLSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001368246174 919637022 /nfs/dbraw/zinc/63/70/22/919637022.db2.gz CNMJDMJKLRXDAM-ZDUSSCGKSA-N 1 1 315.374 -2.443 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001368246174 919637035 /nfs/dbraw/zinc/63/70/35/919637035.db2.gz CNMJDMJKLRXDAM-ZDUSSCGKSA-N 1 1 315.374 -2.443 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001368247430 919637180 /nfs/dbraw/zinc/63/71/80/919637180.db2.gz XGYCWMROAINUJX-HNNXBMFYSA-N 1 1 321.381 -1.332 20 0 DAADMO O=C(Cn1cccn1)NC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001368247430 919637193 /nfs/dbraw/zinc/63/71/93/919637193.db2.gz XGYCWMROAINUJX-HNNXBMFYSA-N 1 1 321.381 -1.332 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)o1 ZINC001368248586 919637246 /nfs/dbraw/zinc/63/72/46/919637246.db2.gz SINQYCKROWXSRB-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)o1 ZINC001368248586 919637256 /nfs/dbraw/zinc/63/72/56/919637256.db2.gz SINQYCKROWXSRB-CYBMUJFWSA-N 1 1 321.341 -1.277 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001368250052 919637513 /nfs/dbraw/zinc/63/75/13/919637513.db2.gz MSOPYQBWYMNBON-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2ccn(C)n2)C1 ZINC001368250052 919637520 /nfs/dbraw/zinc/63/75/20/919637520.db2.gz MSOPYQBWYMNBON-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO Cc1cncc(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001368253112 919638408 /nfs/dbraw/zinc/63/84/08/919638408.db2.gz VPYQKZFTODYOBR-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1cncc(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001368253112 919638422 /nfs/dbraw/zinc/63/84/22/919638422.db2.gz VPYQKZFTODYOBR-OAHLLOKOSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1cncc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001368253110 919638447 /nfs/dbraw/zinc/63/84/47/919638447.db2.gz VPYQKZFTODYOBR-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1cncc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001368253110 919638462 /nfs/dbraw/zinc/63/84/62/919638462.db2.gz VPYQKZFTODYOBR-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001368253601 919638785 /nfs/dbraw/zinc/63/87/85/919638785.db2.gz IZGPWJOWVXMSTP-RISCZKNCSA-N 1 1 309.370 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cccn2)C1 ZINC001368253601 919638794 /nfs/dbraw/zinc/63/87/94/919638794.db2.gz IZGPWJOWVXMSTP-RISCZKNCSA-N 1 1 309.370 -1.257 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001368252269 919639076 /nfs/dbraw/zinc/63/90/76/919639076.db2.gz CPRCVZCRMNJLES-CYBMUJFWSA-N 1 1 310.358 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001368252269 919639084 /nfs/dbraw/zinc/63/90/84/919639084.db2.gz CPRCVZCRMNJLES-CYBMUJFWSA-N 1 1 310.358 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001368252291 919639839 /nfs/dbraw/zinc/63/98/39/919639839.db2.gz CPRCVZCRMNJLES-ZDUSSCGKSA-N 1 1 310.358 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001368252291 919639849 /nfs/dbraw/zinc/63/98/49/919639849.db2.gz CPRCVZCRMNJLES-ZDUSSCGKSA-N 1 1 310.358 -1.632 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001368250974 919640169 /nfs/dbraw/zinc/64/01/69/919640169.db2.gz NCIOBLGWOSXXNN-JQWIXIFHSA-N 1 1 323.415 -2.141 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001368252383 919640827 /nfs/dbraw/zinc/64/08/27/919640827.db2.gz FURZKMLNDVJWIJ-XPTSAGLGSA-N 1 1 323.353 -1.517 20 0 DAADMO Cn1nncc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368252948 919640964 /nfs/dbraw/zinc/64/09/64/919640964.db2.gz FFDWFEZNESAQBY-HIFRSBDPSA-N 1 1 322.413 -1.038 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001368252234 919641690 /nfs/dbraw/zinc/64/16/90/919641690.db2.gz CIQCPBQMMPOPEJ-RNCFNFMXSA-N 1 1 318.349 -1.257 20 0 DAADMO CC[C@@H](F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001368252234 919641704 /nfs/dbraw/zinc/64/17/04/919641704.db2.gz CIQCPBQMMPOPEJ-RNCFNFMXSA-N 1 1 318.349 -1.257 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001368254687 919641730 /nfs/dbraw/zinc/64/17/30/919641730.db2.gz FBLRGNQBFFWXRZ-CQSZACIVSA-N 1 1 310.329 -1.199 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(F)cn2)C1 ZINC001368254687 919641740 /nfs/dbraw/zinc/64/17/40/919641740.db2.gz FBLRGNQBFFWXRZ-CQSZACIVSA-N 1 1 310.329 -1.199 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368256415 919641766 /nfs/dbraw/zinc/64/17/66/919641766.db2.gz AOTYFQVWFYSGFN-TVQRCGJNSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368256415 919641776 /nfs/dbraw/zinc/64/17/76/919641776.db2.gz AOTYFQVWFYSGFN-TVQRCGJNSA-N 1 1 308.342 -2.130 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001368262355 919642727 /nfs/dbraw/zinc/64/27/27/919642727.db2.gz QCGLHHHQJRNKAT-WFASDCNBSA-N 1 1 323.397 -1.121 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1 ZINC001368262617 919642933 /nfs/dbraw/zinc/64/29/33/919642933.db2.gz QYLOXRJDKFNONB-TZMCWYRMSA-N 1 1 310.354 -1.350 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264540 919642966 /nfs/dbraw/zinc/64/29/66/919642966.db2.gz LPSWNGULGOILIX-OTYXRUKQSA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264540 919642973 /nfs/dbraw/zinc/64/29/73/919642973.db2.gz LPSWNGULGOILIX-OTYXRUKQSA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001368259088 919643000 /nfs/dbraw/zinc/64/30/00/919643000.db2.gz VTGSQZKDHYZENS-GXFFZTMASA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001368259088 919643010 /nfs/dbraw/zinc/64/30/10/919643010.db2.gz VTGSQZKDHYZENS-GXFFZTMASA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001368262352 919643175 /nfs/dbraw/zinc/64/31/75/919643175.db2.gz QCGLHHHQJRNKAT-SWLSCSKDSA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCOC3CCC3)C2)n1 ZINC001368260540 919643385 /nfs/dbraw/zinc/64/33/85/919643385.db2.gz DARDWCVUSORYRJ-AWEZNQCLSA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001368262589 919643581 /nfs/dbraw/zinc/64/35/81/919643581.db2.gz TTXVLNZXQSGQMG-QMTHXVAHSA-N 1 1 310.354 -1.672 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264538 919643609 /nfs/dbraw/zinc/64/36/09/919643609.db2.gz LPSWNGULGOILIX-LKFCYVNXSA-N 1 1 324.385 -1.697 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001368264538 919643616 /nfs/dbraw/zinc/64/36/16/919643616.db2.gz LPSWNGULGOILIX-LKFCYVNXSA-N 1 1 324.385 -1.697 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]nc2C)C1 ZINC001368261541 919644404 /nfs/dbraw/zinc/64/44/04/919644404.db2.gz UZPIZURMWZCYJD-BXUZGUMPSA-N 1 1 312.370 -1.108 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001368259731 919644643 /nfs/dbraw/zinc/64/46/43/919644643.db2.gz CFQJICLCEMDXOO-SQYUCLKFSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001368259731 919644651 /nfs/dbraw/zinc/64/46/51/919644651.db2.gz CFQJICLCEMDXOO-SQYUCLKFSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3ncnn32)C1 ZINC001368263781 919644912 /nfs/dbraw/zinc/64/49/12/919644912.db2.gz KJGAXHJINRDIFC-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccc3ncnn32)C1 ZINC001368263781 919644925 /nfs/dbraw/zinc/64/49/25/919644925.db2.gz KJGAXHJINRDIFC-AWEZNQCLSA-N 1 1 318.337 -1.619 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001368262344 919645435 /nfs/dbraw/zinc/64/54/35/919645435.db2.gz QCGLHHHQJRNKAT-DOMZBBRYSA-N 1 1 323.397 -1.121 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001368258712 919645871 /nfs/dbraw/zinc/64/58/71/919645871.db2.gz OHUGNHWQVQDIJD-FZMZJTMJSA-N 1 1 314.386 -2.648 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001368259089 919646064 /nfs/dbraw/zinc/64/60/64/919646064.db2.gz VTGSQZKDHYZENS-MFKMUULPSA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001368259089 919646073 /nfs/dbraw/zinc/64/60/73/919646073.db2.gz VTGSQZKDHYZENS-MFKMUULPSA-N 1 1 310.358 -1.862 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001368259210 919646177 /nfs/dbraw/zinc/64/61/77/919646177.db2.gz YGVYFCQSTYBEJT-GXTWGEPZSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001368262615 919646397 /nfs/dbraw/zinc/64/63/97/919646397.db2.gz QYLOXRJDKFNONB-OCCSQVGLSA-N 1 1 310.354 -1.350 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368265395 919647750 /nfs/dbraw/zinc/64/77/50/919647750.db2.gz YUGCNYAIKNBBID-GXSJLCMTSA-N 1 1 309.388 -2.531 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC[C@H]3CCCO3)C2)n1 ZINC001368268181 919648089 /nfs/dbraw/zinc/64/80/89/919648089.db2.gz RMPOJEFGWSVJBU-BXUZGUMPSA-N 1 1 324.385 -1.054 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001368270129 919648230 /nfs/dbraw/zinc/64/82/30/919648230.db2.gz BMNUOIWJQYVWTI-OTYXRUKQSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001368270129 919648242 /nfs/dbraw/zinc/64/82/42/919648242.db2.gz BMNUOIWJQYVWTI-OTYXRUKQSA-N 1 1 314.386 -1.672 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368266460 919648525 /nfs/dbraw/zinc/64/85/25/919648525.db2.gz PQKBQGZENZQWEM-XHDPSFHLSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368266460 919648535 /nfs/dbraw/zinc/64/85/35/919648535.db2.gz PQKBQGZENZQWEM-XHDPSFHLSA-N 1 1 321.381 -1.042 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)c1=O ZINC001368265130 919648865 /nfs/dbraw/zinc/64/88/65/919648865.db2.gz UUFNOPOZQWXWMW-GFCCVEGCSA-N 1 1 301.322 -1.896 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)c1=O ZINC001368265130 919648876 /nfs/dbraw/zinc/64/88/76/919648876.db2.gz UUFNOPOZQWXWMW-GFCCVEGCSA-N 1 1 301.322 -1.896 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001368267874 919648900 /nfs/dbraw/zinc/64/89/00/919648900.db2.gz WYPNIDOXPFXPMT-RISCZKNCSA-N 1 1 323.353 -1.283 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001368269259 919649451 /nfs/dbraw/zinc/64/94/51/919649451.db2.gz ZXTJINZKRTUTIZ-LLVKDONJSA-N 1 1 311.379 -1.422 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001368269259 919649459 /nfs/dbraw/zinc/64/94/59/919649459.db2.gz ZXTJINZKRTUTIZ-LLVKDONJSA-N 1 1 311.379 -1.422 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001368266457 919650135 /nfs/dbraw/zinc/65/01/35/919650135.db2.gz PQKBQGZENZQWEM-NHYWBVRUSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1ccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001368266457 919650154 /nfs/dbraw/zinc/65/01/54/919650154.db2.gz PQKBQGZENZQWEM-NHYWBVRUSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)ccc2=O)C1 ZINC001368265676 919650557 /nfs/dbraw/zinc/65/05/57/919650557.db2.gz MUHUJLWCLQNECQ-ABAIWWIYSA-N 1 1 309.366 -1.067 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnnn3C)C2)cn1 ZINC001368267261 919650700 /nfs/dbraw/zinc/65/07/00/919650700.db2.gz RDDBLQIWJKKGRU-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC[C@@H]3CCCO3)C2)n1 ZINC001368268194 919651531 /nfs/dbraw/zinc/65/15/31/919651531.db2.gz RMPOJEFGWSVJBU-SMDDNHRTSA-N 1 1 324.385 -1.054 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC[C@H]3CCOC3)C2)n1 ZINC001368268544 919651687 /nfs/dbraw/zinc/65/16/87/919651687.db2.gz RWBDLSGQLPZQQM-FZMZJTMJSA-N 1 1 324.385 -1.197 20 0 DAADMO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)S(C)(=O)=O ZINC001368272152 919653526 /nfs/dbraw/zinc/65/35/26/919653526.db2.gz NKXPBXNJCYEDAU-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001368272152 919653539 /nfs/dbraw/zinc/65/35/39/919653539.db2.gz NKXPBXNJCYEDAU-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001368273173 919654262 /nfs/dbraw/zinc/65/42/62/919654262.db2.gz ACKXUYAOBUCJTF-HZMBPMFUSA-N 1 1 324.385 -1.272 20 0 DAADMO CCCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001368273173 919654274 /nfs/dbraw/zinc/65/42/74/919654274.db2.gz ACKXUYAOBUCJTF-HZMBPMFUSA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001368276040 919654502 /nfs/dbraw/zinc/65/45/02/919654502.db2.gz MQASHXGMIJMIHC-YPMHNXCESA-N 1 1 320.411 -1.237 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001368276040 919654509 /nfs/dbraw/zinc/65/45/09/919654509.db2.gz MQASHXGMIJMIHC-YPMHNXCESA-N 1 1 320.411 -1.237 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274078 919654667 /nfs/dbraw/zinc/65/46/67/919654667.db2.gz BXWKGTRCTYXFCJ-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274078 919654675 /nfs/dbraw/zinc/65/46/75/919654675.db2.gz BXWKGTRCTYXFCJ-CQSZACIVSA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001368275401 919655366 /nfs/dbraw/zinc/65/53/66/919655366.db2.gz JATKFSMPRXYQDN-BMIGLBTASA-N 1 1 322.365 -1.272 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001368274102 919655519 /nfs/dbraw/zinc/65/55/19/919655519.db2.gz VZEOYFJGLZLGDZ-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001368274102 919655532 /nfs/dbraw/zinc/65/55/32/919655532.db2.gz VZEOYFJGLZLGDZ-CYBMUJFWSA-N 1 1 310.358 -1.930 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1cnon1 ZINC001368270718 919656323 /nfs/dbraw/zinc/65/63/23/919656323.db2.gz CJQMOUFTEUAWDL-AWEZNQCLSA-N 1 1 323.353 -1.238 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)c1nnc[nH]1 ZINC001368272430 919656644 /nfs/dbraw/zinc/65/66/44/919656644.db2.gz LRJHDPQOQZRTSY-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)c1ncn[nH]1 ZINC001368272430 919656658 /nfs/dbraw/zinc/65/66/58/919656658.db2.gz LRJHDPQOQZRTSY-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)c1ncn[nH]1 ZINC001368272430 919656672 /nfs/dbraw/zinc/65/66/72/919656672.db2.gz LRJHDPQOQZRTSY-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)c1nc[nH]n1 ZINC001368272430 919656683 /nfs/dbraw/zinc/65/66/83/919656683.db2.gz LRJHDPQOQZRTSY-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)c1nc[nH]n1 ZINC001368272430 919656696 /nfs/dbraw/zinc/65/66/96/919656696.db2.gz LRJHDPQOQZRTSY-ZDUSSCGKSA-N 1 1 305.342 -1.132 20 0 DAADMO O=C(CN1CCCC1)NC[C@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001368280639 919658204 /nfs/dbraw/zinc/65/82/04/919658204.db2.gz BLYSMQHMLAYBNA-OAHLLOKOSA-N 1 1 322.413 -1.073 20 0 DAADMO O=C(CN1CCCC1)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001368280639 919658212 /nfs/dbraw/zinc/65/82/12/919658212.db2.gz BLYSMQHMLAYBNA-OAHLLOKOSA-N 1 1 322.413 -1.073 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001368277585 919658428 /nfs/dbraw/zinc/65/84/28/919658428.db2.gz KYKRLXQTAWUTBC-ABAIWWIYSA-N 1 1 323.397 -1.128 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001368277585 919658442 /nfs/dbraw/zinc/65/84/42/919658442.db2.gz KYKRLXQTAWUTBC-ABAIWWIYSA-N 1 1 323.397 -1.128 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278068 919659861 /nfs/dbraw/zinc/65/98/61/919659861.db2.gz JVSZICRJDYDBJT-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001368278068 919659867 /nfs/dbraw/zinc/65/98/67/919659867.db2.gz JVSZICRJDYDBJT-LKFCYVNXSA-N 1 1 308.338 -1.172 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)Cn3ccnc3)C2)C1=O ZINC001368276522 919660087 /nfs/dbraw/zinc/66/00/87/919660087.db2.gz OJASQMZINHJKHF-DOMZBBRYSA-N 1 1 321.381 -1.333 20 0 DAADMO CCO[C@@H](C[NH+]1CC(O)(CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001368280283 919660140 /nfs/dbraw/zinc/66/01/40/919660140.db2.gz RGLHQXFUJOQBDO-LBPRGKRZSA-N 1 1 324.385 -1.349 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001368284041 919662566 /nfs/dbraw/zinc/66/25/66/919662566.db2.gz IHRZAYRLFUDODT-GWCFXTLKSA-N 1 1 318.374 -2.395 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001368284043 919663051 /nfs/dbraw/zinc/66/30/51/919663051.db2.gz IHRZAYRLFUDODT-MFKMUULPSA-N 1 1 318.374 -2.395 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)c1c[nH]cn1 ZINC001368283960 919663531 /nfs/dbraw/zinc/66/35/31/919663531.db2.gz WPQSDQVRBPLUFD-AWEZNQCLSA-N 1 1 309.370 -1.274 20 0 DAADMO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)c1c[nH]cn1 ZINC001368283960 919663538 /nfs/dbraw/zinc/66/35/38/919663538.db2.gz WPQSDQVRBPLUFD-AWEZNQCLSA-N 1 1 309.370 -1.274 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368286029 919664019 /nfs/dbraw/zinc/66/40/19/919664019.db2.gz COIKVDGAYRNIQS-NSHDSACASA-N 1 1 308.386 -1.428 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001368281597 919664216 /nfs/dbraw/zinc/66/42/16/919664216.db2.gz CQPKUEWTXVGKJR-ZDUSSCGKSA-N 1 1 312.326 -2.355 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001368283055 919664472 /nfs/dbraw/zinc/66/44/72/919664472.db2.gz VJXUHIKAMUTQJL-CQSZACIVSA-N 1 1 309.370 -1.738 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001368283055 919664480 /nfs/dbraw/zinc/66/44/80/919664480.db2.gz VJXUHIKAMUTQJL-CQSZACIVSA-N 1 1 309.370 -1.738 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001368281592 919664560 /nfs/dbraw/zinc/66/45/60/919664560.db2.gz CQPKUEWTXVGKJR-CYBMUJFWSA-N 1 1 312.326 -2.355 20 0 DAADMO Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001368288967 919666835 /nfs/dbraw/zinc/66/68/35/919666835.db2.gz PMHKLDVCBDJUPA-LBPRGKRZSA-N 1 1 324.381 -1.023 20 0 DAADMO Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001368288967 919666846 /nfs/dbraw/zinc/66/68/46/919666846.db2.gz PMHKLDVCBDJUPA-LBPRGKRZSA-N 1 1 324.381 -1.023 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368298658 919677230 /nfs/dbraw/zinc/67/72/30/919677230.db2.gz JSUXMTJCFNQWIC-NSHDSACASA-N 1 1 312.414 -1.232 20 0 DAADMO CC1CC(C[NH+]2CC(O)(CNC(=O)CN3CCNC(=O)C3)C2)C1 ZINC001368300408 919679393 /nfs/dbraw/zinc/67/93/93/919679393.db2.gz DFZWGSBZSBMWJO-UHFFFAOYSA-N 1 1 324.425 -1.373 20 0 DAADMO CNC(=O)[C@H](C)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001368320225 919694910 /nfs/dbraw/zinc/69/49/10/919694910.db2.gz YKARWLQPPGABLX-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@@H](C)C(=O)NC)C1 ZINC001368320638 919696434 /nfs/dbraw/zinc/69/64/34/919696434.db2.gz MDQXYAQDWGXROI-NSHDSACASA-N 1 1 300.403 -1.374 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CCNC(=O)C3CC3)C2)C1 ZINC001368328039 919698311 /nfs/dbraw/zinc/69/83/11/919698311.db2.gz UOEFQWMARXXZNU-ZDUSSCGKSA-N 1 1 324.425 -1.373 20 0 DAADMO C[C@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368325239 919698521 /nfs/dbraw/zinc/69/85/21/919698521.db2.gz JPPJGKHZDRUBGU-GHMZBOCLSA-N 1 1 323.401 -1.614 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001368324515 919699347 /nfs/dbraw/zinc/69/93/47/919699347.db2.gz RAKDKRDFCGEYKR-DOMZBBRYSA-N 1 1 324.425 -1.101 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368325256 919699949 /nfs/dbraw/zinc/69/99/49/919699949.db2.gz JPPJGKHZDRUBGU-WDEREUQCSA-N 1 1 323.401 -1.614 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001368346525 919701640 /nfs/dbraw/zinc/70/16/40/919701640.db2.gz NPPQQLWOGMWGPB-AOOOYVTPSA-N 1 1 306.326 -1.392 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001368357116 919702471 /nfs/dbraw/zinc/70/24/71/919702471.db2.gz ZNEYGUHOABZEMN-TUAOUCFPSA-N 1 1 323.397 -1.464 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)=O)C[C@H]2C1 ZINC001368346548 919702948 /nfs/dbraw/zinc/70/29/48/919702948.db2.gz NWGDYGQYKAOVGC-MJBXVCDLSA-N 1 1 313.398 -1.138 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001368367002 919704618 /nfs/dbraw/zinc/70/46/18/919704618.db2.gz MSHPIFXHRLSEDU-OAHLLOKOSA-N 1 1 313.398 -1.162 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001368367853 919704788 /nfs/dbraw/zinc/70/47/88/919704788.db2.gz ZPMBFJOBZKRITI-DTORHVGOSA-N 1 1 321.341 -2.068 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368373656 919706471 /nfs/dbraw/zinc/70/64/71/919706471.db2.gz HOQRHBYGJOGFHA-OCCSQVGLSA-N 1 1 301.387 -1.164 20 0 DAADMO CCC[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001368371136 919706725 /nfs/dbraw/zinc/70/67/25/919706725.db2.gz HBDCQQVWAKYFFT-OAHLLOKOSA-N 1 1 312.414 -1.229 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1ccc2n[nH]nc2n1 ZINC001368374956 919706969 /nfs/dbraw/zinc/70/69/69/919706969.db2.gz LWZJUJWTGCNDPY-CQSZACIVSA-N 1 1 320.353 -1.098 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001368367472 919707056 /nfs/dbraw/zinc/70/70/56/919707056.db2.gz INHBXDWWLBQCRK-WCQYABFASA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)c1ccn2nnnc2c1 ZINC001368381398 919710547 /nfs/dbraw/zinc/71/05/47/919710547.db2.gz VFDGKFCXMCGFJN-CQSZACIVSA-N 1 1 320.353 -1.327 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392065 919712979 /nfs/dbraw/zinc/71/29/79/919712979.db2.gz GZSJRSCJTRSNAM-RKDXNWHRSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nc[nH]n1 ZINC001368392065 919712988 /nfs/dbraw/zinc/71/29/88/919712988.db2.gz GZSJRSCJTRSNAM-RKDXNWHRSA-N 1 1 321.341 -1.322 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCc2nncn2C1 ZINC001368392081 919716050 /nfs/dbraw/zinc/71/60/50/919716050.db2.gz OGEQJRRJYBQACE-WFASDCNBSA-N 1 1 323.397 -1.224 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)CN1CCCC1)C(=O)N(C)C ZINC001368402812 919718878 /nfs/dbraw/zinc/71/88/78/919718878.db2.gz ALDRDLXSHMETBM-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO COCC1(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CC1 ZINC001368405497 919719270 /nfs/dbraw/zinc/71/92/70/919719270.db2.gz PPGZLNLCDAZNOO-PHIMTYICSA-N 1 1 324.381 -1.002 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441868 919725203 /nfs/dbraw/zinc/72/52/03/919725203.db2.gz XBKSDIAUQAMUEA-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001368441868 919725216 /nfs/dbraw/zinc/72/52/16/919725216.db2.gz XBKSDIAUQAMUEA-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)n1 ZINC001368460239 919725309 /nfs/dbraw/zinc/72/53/09/919725309.db2.gz DYDCXFSWFJXLJK-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)n1 ZINC001368460239 919725330 /nfs/dbraw/zinc/72/53/30/919725330.db2.gz DYDCXFSWFJXLJK-LLVKDONJSA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)n1 ZINC001368460241 919725688 /nfs/dbraw/zinc/72/56/88/919725688.db2.gz DYDCXFSWFJXLJK-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO Cn1nnc(CNC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)n1 ZINC001368460241 919725701 /nfs/dbraw/zinc/72/57/01/919725701.db2.gz DYDCXFSWFJXLJK-NSHDSACASA-N 1 1 323.401 -1.331 20 0 DAADMO CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001368439621 919726261 /nfs/dbraw/zinc/72/62/61/919726261.db2.gz TVTHFXZDRMKFOR-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO CCCC[N@H+]1CCOC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001368439621 919726274 /nfs/dbraw/zinc/72/62/74/919726274.db2.gz TVTHFXZDRMKFOR-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO C[C@H](CNC(=O)N1CC(S(N)(=O)=O)C1)C[NH+]1CCOCC1 ZINC001368470897 919727863 /nfs/dbraw/zinc/72/78/63/919727863.db2.gz QGFZRUBXLBBVBV-SNVBAGLBSA-N 1 1 320.415 -1.363 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001368508721 919731598 /nfs/dbraw/zinc/73/15/98/919731598.db2.gz CRLUFMTVWWTOKU-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001368505499 919732018 /nfs/dbraw/zinc/73/20/18/919732018.db2.gz MQZLMUBFNKIIHI-NXEZZACHSA-N 1 1 310.358 -1.322 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001368515977 919735681 /nfs/dbraw/zinc/73/56/81/919735681.db2.gz ANUXCPAOIFVDKA-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001368565014 919738519 /nfs/dbraw/zinc/73/85/19/919738519.db2.gz CQZRWASCSIXDPQ-UHFFFAOYSA-N 1 1 308.404 -1.857 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001368532500 919739578 /nfs/dbraw/zinc/73/95/78/919739578.db2.gz ANHDAKSRGATCPF-DTORHVGOSA-N 1 1 317.371 -1.397 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ncccc2O)CCO1 ZINC001368531793 919739610 /nfs/dbraw/zinc/73/96/10/919739610.db2.gz ZTVZQTPHCZVJSF-JTQLQIEISA-N 1 1 308.338 -1.036 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)CCn1ncn(C)c1=O ZINC001368549203 919739695 /nfs/dbraw/zinc/73/96/95/919739695.db2.gz NKLHJGYHZMPVKW-UHFFFAOYSA-N 1 1 312.374 -1.763 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ncccc2O)CCO1 ZINC001368531798 919740234 /nfs/dbraw/zinc/74/02/34/919740234.db2.gz ZTVZQTPHCZVJSF-SNVBAGLBSA-N 1 1 308.338 -1.036 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001368538406 919741007 /nfs/dbraw/zinc/74/10/07/919741007.db2.gz GCPJSSKHCGVBCN-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO COCC(=O)NC[C@H]1CCC2(C[NH+](C[C@@H](O)COC)C2)O1 ZINC001368577650 919744949 /nfs/dbraw/zinc/74/49/49/919744949.db2.gz WQGKVNPRGWSZAE-VXGBXAGGSA-N 1 1 302.371 -1.010 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001368599375 919746362 /nfs/dbraw/zinc/74/63/62/919746362.db2.gz GSNKYKMTZBDQKX-DCAQKATOSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1)c1ncn[nH]1 ZINC001368633256 919753714 /nfs/dbraw/zinc/75/37/14/919753714.db2.gz RZIJFIQYCMIHIV-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1)c1nc[nH]n1 ZINC001368633256 919753719 /nfs/dbraw/zinc/75/37/19/919753719.db2.gz RZIJFIQYCMIHIV-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC001368671572 919758568 /nfs/dbraw/zinc/75/85/68/919758568.db2.gz UVMJLBWKXNJMRY-ONGXEEELSA-N 1 1 309.374 -1.190 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001368674103 919759044 /nfs/dbraw/zinc/75/90/44/919759044.db2.gz JRXITMUWKURIDW-GXTWGEPZSA-N 1 1 315.414 -1.143 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC001368672224 919759318 /nfs/dbraw/zinc/75/93/18/919759318.db2.gz AJVSXTKPWBCRBR-VIFPVBQESA-N 1 1 320.415 -1.762 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC001368672224 919759327 /nfs/dbraw/zinc/75/93/27/919759327.db2.gz AJVSXTKPWBCRBR-VIFPVBQESA-N 1 1 320.415 -1.762 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[nH]1 ZINC001368676272 919759642 /nfs/dbraw/zinc/75/96/42/919759642.db2.gz XOLQOLSHMVHZJB-SECBINFHSA-N 1 1 309.326 -1.577 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001368686491 919761358 /nfs/dbraw/zinc/76/13/58/919761358.db2.gz HZENYXPMUNCSTM-WCBMZHEXSA-N 1 1 323.353 -1.202 20 0 DAADMO COCC(=O)N1CCN(C2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001368677610 919761499 /nfs/dbraw/zinc/76/14/99/919761499.db2.gz WXQRORGQACTHQR-CYBMUJFWSA-N 1 1 301.387 -1.532 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCc1nc(CNCC(N)=O)cc(=O)[nH]1 ZINC001368683723 919762537 /nfs/dbraw/zinc/76/25/37/919762537.db2.gz DZKOKPVISVPFSY-SNVBAGLBSA-N 1 1 322.369 -1.533 20 0 DAADMO C[C@H]1CO[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)C1 ZINC001368686490 919762731 /nfs/dbraw/zinc/76/27/31/919762731.db2.gz HZENYXPMUNCSTM-SCZZXKLOSA-N 1 1 323.353 -1.202 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001368728767 919764447 /nfs/dbraw/zinc/76/44/47/919764447.db2.gz BQFVQHOYSGIDCV-STQMWFEESA-N 1 1 313.398 -1.067 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368739203 919764497 /nfs/dbraw/zinc/76/44/97/919764497.db2.gz VTEWVIYMFUEASX-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001368739203 919764501 /nfs/dbraw/zinc/76/45/01/919764501.db2.gz VTEWVIYMFUEASX-JTQLQIEISA-N 1 1 310.358 -1.550 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001368714088 919764643 /nfs/dbraw/zinc/76/46/43/919764643.db2.gz GCPSRQDUVQRHER-LBPRGKRZSA-N 1 1 324.385 -1.561 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001368714088 919764654 /nfs/dbraw/zinc/76/46/54/919764654.db2.gz GCPSRQDUVQRHER-LBPRGKRZSA-N 1 1 324.385 -1.561 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001368720129 919765288 /nfs/dbraw/zinc/76/52/88/919765288.db2.gz SUFSZYCLCDETMB-LBPRGKRZSA-N 1 1 309.370 -1.277 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC001368720129 919765300 /nfs/dbraw/zinc/76/53/00/919765300.db2.gz SUFSZYCLCDETMB-LBPRGKRZSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001368765067 919768522 /nfs/dbraw/zinc/76/85/22/919768522.db2.gz YETGOMPFANSSQY-UHFFFAOYSA-N 1 1 324.385 -1.492 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CCN([C@H]2CCNC2=O)CC1 ZINC001368767097 919769191 /nfs/dbraw/zinc/76/91/91/919769191.db2.gz YAHBWEIAGYKLIS-OLZOCXBDSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cncn2C)CC1 ZINC001368767443 919769363 /nfs/dbraw/zinc/76/93/63/919769363.db2.gz YAAYYTLBDDFNBB-SNVBAGLBSA-N 1 1 309.370 -1.149 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1cnccn1 ZINC001368749837 919769782 /nfs/dbraw/zinc/76/97/82/919769782.db2.gz ILGVKZNCSKUJGI-GFCCVEGCSA-N 1 1 319.365 -1.078 20 0 DAADMO C[C@H](O)C[NH+]1CCC(CO)(NC(=O)C2CS(=O)(=O)C2)CC1 ZINC001368763440 919770817 /nfs/dbraw/zinc/77/08/17/919770817.db2.gz XDOGZETXANBIEC-JTQLQIEISA-N 1 1 320.411 -1.645 20 0 DAADMO O=C(CN1CCOCC1=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001368758669 919771362 /nfs/dbraw/zinc/77/13/62/919771362.db2.gz BPCPLFSXTRORIH-UHFFFAOYSA-N 1 1 317.361 -1.242 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CCn2ccnn2)CC1 ZINC001368761165 919771456 /nfs/dbraw/zinc/77/14/56/919771456.db2.gz JDISTCJLSQXZAZ-LLVKDONJSA-N 1 1 324.385 -1.515 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cncn2C)CC1 ZINC001368767441 919771542 /nfs/dbraw/zinc/77/15/42/919771542.db2.gz YAAYYTLBDDFNBB-JTQLQIEISA-N 1 1 309.370 -1.149 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CC[N@H+]1CCn1cncn1 ZINC001368803607 919773584 /nfs/dbraw/zinc/77/35/84/919773584.db2.gz YXSHFKZCOMZBFK-MNOVXSKESA-N 1 1 309.374 -1.085 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001368793462 919773622 /nfs/dbraw/zinc/77/36/22/919773622.db2.gz KCXJIBLFMXULSO-UTUOFQBUSA-N 1 1 312.374 -1.351 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1(CO)CCN(CC(N)=O)CC1 ZINC001368781521 919773784 /nfs/dbraw/zinc/77/37/84/919773784.db2.gz WEAXYBKTAKQKFS-UHFFFAOYSA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797594 919774505 /nfs/dbraw/zinc/77/45/05/919774505.db2.gz ORYWDJYVZJPCBS-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001368797594 919774517 /nfs/dbraw/zinc/77/45/17/919774517.db2.gz ORYWDJYVZJPCBS-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001368798560 919775184 /nfs/dbraw/zinc/77/51/84/919775184.db2.gz CLLJWQCXNBAXEI-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001368798560 919775196 /nfs/dbraw/zinc/77/51/96/919775196.db2.gz CLLJWQCXNBAXEI-SECBINFHSA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)NC2(CO)CC[NH+]([C@@H]3CCNC3=O)CC2)n1 ZINC001368769411 919775457 /nfs/dbraw/zinc/77/54/57/919775457.db2.gz HWZLGHXPBYBGDU-LLVKDONJSA-N 1 1 322.369 -1.740 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C)C(N)=O ZINC001368782788 919775722 /nfs/dbraw/zinc/77/57/22/919775722.db2.gz AANDPEPKCYMYBQ-MIMYLULJSA-N 1 1 300.359 -2.062 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001368829236 919776898 /nfs/dbraw/zinc/77/68/98/919776898.db2.gz GWNQKXCYQOLDHB-UWVGGRQHSA-N 1 1 307.362 -1.033 20 0 DAADMO CC(=O)NCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001368836167 919777400 /nfs/dbraw/zinc/77/74/00/919777400.db2.gz OVZCXTIMHVEARZ-VHSXEESVSA-N 1 1 324.385 -1.073 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001368829239 919778051 /nfs/dbraw/zinc/77/80/51/919778051.db2.gz GWNQKXCYQOLDHB-ZJUUUORDSA-N 1 1 307.362 -1.033 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001368829234 919778230 /nfs/dbraw/zinc/77/82/30/919778230.db2.gz GWNQKXCYQOLDHB-NXEZZACHSA-N 1 1 307.362 -1.033 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001368821064 919778312 /nfs/dbraw/zinc/77/83/12/919778312.db2.gz PJNMFBQEAUGBFP-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc2n1CCOC2 ZINC001368836165 919778706 /nfs/dbraw/zinc/77/87/06/919778706.db2.gz OVZCXTIMHVEARZ-UWVGGRQHSA-N 1 1 324.385 -1.073 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001368806765 919778753 /nfs/dbraw/zinc/77/87/53/919778753.db2.gz PNJVVBYCLMYYPT-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001368806765 919778766 /nfs/dbraw/zinc/77/87/66/919778766.db2.gz PNJVVBYCLMYYPT-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001368932149 919784923 /nfs/dbraw/zinc/78/49/23/919784923.db2.gz QSGFNYHEFWEYLF-RKDXNWHRSA-N 1 1 315.374 -1.597 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cnon2)c(=O)n1C ZINC001368898705 919786489 /nfs/dbraw/zinc/78/64/89/919786489.db2.gz OPASRALTEVTYNR-BDAKNGLRSA-N 1 1 323.357 -1.044 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001368931879 919787215 /nfs/dbraw/zinc/78/72/15/919787215.db2.gz BJLHMPJLLISLKH-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001368931879 919787222 /nfs/dbraw/zinc/78/72/22/919787222.db2.gz BJLHMPJLLISLKH-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO C[C@@H](CNC(=O)COCC(F)F)[N@H+](C)CC(=O)NC(N)=O ZINC001368973934 919788986 /nfs/dbraw/zinc/78/89/86/919788986.db2.gz WLSBUCZFFCIKTC-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO C[C@@H](CNC(=O)COCC(F)F)[N@@H+](C)CC(=O)NC(N)=O ZINC001368973934 919788999 /nfs/dbraw/zinc/78/89/99/919788999.db2.gz WLSBUCZFFCIKTC-ZETCQYMHSA-N 1 1 310.301 -1.101 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970584 919789582 /nfs/dbraw/zinc/78/95/82/919789582.db2.gz JWRNCKBCUXYDTB-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)S(N)(=O)=O ZINC001368970584 919789595 /nfs/dbraw/zinc/78/95/95/919789595.db2.gz JWRNCKBCUXYDTB-ZJUUUORDSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001368962210 919789710 /nfs/dbraw/zinc/78/97/10/919789710.db2.gz PMUHTUFYEAWNSA-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001368962210 919789723 /nfs/dbraw/zinc/78/97/23/919789723.db2.gz PMUHTUFYEAWNSA-QMMMGPOBSA-N 1 1 324.341 -1.312 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1CCCC1=O ZINC001368940530 919789781 /nfs/dbraw/zinc/78/97/81/919789781.db2.gz VCFMTFDIFYRYCP-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001368950607 919790145 /nfs/dbraw/zinc/79/01/45/919790145.db2.gz VWCDRXIIPJQLBB-GXFFZTMASA-N 1 1 301.387 -1.092 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001368937516 919790446 /nfs/dbraw/zinc/79/04/46/919790446.db2.gz CAPCLYYEFNOBTK-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001368978467 919791883 /nfs/dbraw/zinc/79/18/83/919791883.db2.gz PHPIVBXAUSQBSJ-NXEZZACHSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](COC)OC ZINC001368978467 919791892 /nfs/dbraw/zinc/79/18/92/919791892.db2.gz PHPIVBXAUSQBSJ-NXEZZACHSA-N 1 1 318.374 -1.460 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001368938647 919792137 /nfs/dbraw/zinc/79/21/37/919792137.db2.gz PDXCMDYLWGLKGA-VXGBXAGGSA-N 1 1 322.373 -1.633 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001368953793 919792457 /nfs/dbraw/zinc/79/24/57/919792457.db2.gz LLBNRFXFEZAIHH-QWRGUYRKSA-N 1 1 312.370 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](COC)OC ZINC001368978470 919792626 /nfs/dbraw/zinc/79/26/26/919792626.db2.gz PHPIVBXAUSQBSJ-UWVGGRQHSA-N 1 1 318.374 -1.460 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](COC)OC ZINC001368978470 919792636 /nfs/dbraw/zinc/79/26/36/919792636.db2.gz PHPIVBXAUSQBSJ-UWVGGRQHSA-N 1 1 318.374 -1.460 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001368994887 919795574 /nfs/dbraw/zinc/79/55/74/919795574.db2.gz BBICOVDTDSYRNG-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001368993602 919796004 /nfs/dbraw/zinc/79/60/04/919796004.db2.gz FWMNBEOKFBPUIX-QWRGUYRKSA-N 1 1 312.370 -1.162 20 0 DAADMO C[C@@H](NC(=O)CCn1ccnn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001369071532 919807567 /nfs/dbraw/zinc/80/75/67/919807567.db2.gz DEGXYSUTPDDBNL-ZYHUDNBSSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@H](NC(=O)CNC(=O)C1CC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001369082636 919812129 /nfs/dbraw/zinc/81/21/29/919812129.db2.gz VAGUMOIDSMUITN-JOYOIKCWSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H](NC(=O)CNC(=O)C1CC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001369082638 919813643 /nfs/dbraw/zinc/81/36/43/919813643.db2.gz VAGUMOIDSMUITN-SKDRFNHKSA-N 1 1 308.382 -1.162 20 0 DAADMO COCC(=O)N1CC[C@]2(C1)C[N@H+](C[C@@H](O)COC)CCO2 ZINC001369106617 919814271 /nfs/dbraw/zinc/81/42/71/919814271.db2.gz CHOSTDYPNWVTMV-TZMCWYRMSA-N 1 1 302.371 -1.057 20 0 DAADMO COCC(=O)N1CC[C@]2(C1)C[N@@H+](C[C@@H](O)COC)CCO2 ZINC001369106617 919814282 /nfs/dbraw/zinc/81/42/82/919814282.db2.gz CHOSTDYPNWVTMV-TZMCWYRMSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001369113704 919814584 /nfs/dbraw/zinc/81/45/84/919814584.db2.gz USZHAZGPZHGVFA-GHMZBOCLSA-N 1 1 312.374 -1.493 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104272 919814720 /nfs/dbraw/zinc/81/47/20/919814720.db2.gz BCLQHISHVANUJO-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)CCNC(N)=O)C2)C1 ZINC001369104272 919814733 /nfs/dbraw/zinc/81/47/33/919814733.db2.gz BCLQHISHVANUJO-SMDDNHRTSA-N 1 1 314.386 -1.271 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC001369097283 919814774 /nfs/dbraw/zinc/81/47/74/919814774.db2.gz IJGBFUZXWCSQBB-QWRGUYRKSA-N 1 1 323.401 -1.024 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001369097570 919815044 /nfs/dbraw/zinc/81/50/44/919815044.db2.gz DBLFLGIQTMAONE-VIFPVBQESA-N 1 1 320.415 -1.940 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001369111680 919815708 /nfs/dbraw/zinc/81/57/08/919815708.db2.gz ZFLPNMNZKJGNCU-SNVBAGLBSA-N 1 1 307.416 -1.255 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)CC1(C)C ZINC001369122097 919816871 /nfs/dbraw/zinc/81/68/71/919816871.db2.gz SZDQWWVYTKMJSA-VHSXEESVSA-N 1 1 322.431 -1.752 20 0 DAADMO CCOCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001369130907 919816964 /nfs/dbraw/zinc/81/69/64/919816964.db2.gz SWGIPCYTCKKBKW-CNDDSTCGSA-N 1 1 319.427 -1.134 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001369117003 919817021 /nfs/dbraw/zinc/81/70/21/919817021.db2.gz JUYNGHGFBSWFLI-CNDDSTCGSA-N 1 1 324.381 -1.131 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)nn1 ZINC001369122587 919817202 /nfs/dbraw/zinc/81/72/02/919817202.db2.gz LEAJDLALKFOJLL-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)nn1 ZINC001369122587 919817210 /nfs/dbraw/zinc/81/72/10/919817210.db2.gz LEAJDLALKFOJLL-CNDDSTCGSA-N 1 1 317.357 -1.704 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]2C1 ZINC001369122686 919818074 /nfs/dbraw/zinc/81/80/74/919818074.db2.gz QQRJCSPRCRZBMA-FIQHERPVSA-N 1 1 320.411 -1.668 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCCC(=O)N3)[C@@H]2C1 ZINC001369125878 919818208 /nfs/dbraw/zinc/81/82/08/919818208.db2.gz NDSKLQXUMKIJJF-FIQHERPVSA-N 1 1 308.382 -1.176 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(C)CCC(=O)NC3)[C@@H]2C1 ZINC001369120356 919819224 /nfs/dbraw/zinc/81/92/24/919819224.db2.gz BAIDAVVLEZTCOJ-OVZMXSCWSA-N 1 1 322.409 -1.057 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001369140178 919820362 /nfs/dbraw/zinc/82/03/62/919820362.db2.gz UHHQJDNYJSTKSC-PDEGPIFNSA-N 1 1 321.385 -1.334 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001369140178 919820373 /nfs/dbraw/zinc/82/03/73/919820373.db2.gz UHHQJDNYJSTKSC-PDEGPIFNSA-N 1 1 321.385 -1.334 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001369139011 919820619 /nfs/dbraw/zinc/82/06/19/919820619.db2.gz ZHZQOLVEPZCXBV-OWUUHHOZSA-N 1 1 318.399 -2.295 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001369132902 919821012 /nfs/dbraw/zinc/82/10/12/919821012.db2.gz VLRCOGNTDJFSPO-OWUUHHOZSA-N 1 1 318.399 -2.166 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001369162063 919822902 /nfs/dbraw/zinc/82/29/02/919822902.db2.gz NGSZJMOQKKYHAU-RTCCRHLQSA-N 1 1 305.400 -1.836 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001369160259 919824019 /nfs/dbraw/zinc/82/40/19/919824019.db2.gz TWWXYWCOWTWJCU-NSHDSACASA-N 1 1 324.385 -1.245 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001369163974 919824775 /nfs/dbraw/zinc/82/47/75/919824775.db2.gz KHRGDWLWEJKGSO-CIUDSAMLSA-N 1 1 310.362 -1.749 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC001369183912 919825922 /nfs/dbraw/zinc/82/59/22/919825922.db2.gz PFSYCWAGOSPRIK-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CC(=O)NCC(=O)N1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001369176329 919826325 /nfs/dbraw/zinc/82/63/25/919826325.db2.gz BBWXOGUPNWNPJU-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001369185675 919827690 /nfs/dbraw/zinc/82/76/90/919827690.db2.gz QPQQTKVGKCLBQV-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1nnnn1C ZINC001369234363 919829224 /nfs/dbraw/zinc/82/92/24/919829224.db2.gz BTCNKPUDPIJVTI-DTWKUNHWSA-N 1 1 312.378 -1.407 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001369210558 919830460 /nfs/dbraw/zinc/83/04/60/919830460.db2.gz VIAQJLLYDCYSFX-JTQLQIEISA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001369247428 919833525 /nfs/dbraw/zinc/83/35/25/919833525.db2.gz LOELMELOKHQBRL-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001369253764 919833723 /nfs/dbraw/zinc/83/37/23/919833723.db2.gz QLHJQCSMXOKCFB-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1nnnn1C ZINC001369272255 919835315 /nfs/dbraw/zinc/83/53/15/919835315.db2.gz NEBFCDVQKVDFSM-MRVPVSSYSA-N 1 1 306.330 -1.456 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001369301355 919839069 /nfs/dbraw/zinc/83/90/69/919839069.db2.gz PQFRFFGJHSQEGR-ZJUUUORDSA-N 1 1 324.389 -1.310 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cn(C)nn1 ZINC001369295455 919839787 /nfs/dbraw/zinc/83/97/87/919839787.db2.gz UWFRZXNTCQIPRH-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001369306067 919842956 /nfs/dbraw/zinc/84/29/56/919842956.db2.gz ANCVSBFYXVORJY-NWDGAFQWSA-N 1 1 322.365 -1.065 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1ocnc1C ZINC001369312150 919845637 /nfs/dbraw/zinc/84/56/37/919845637.db2.gz VNNZMPZGAVCHGW-VIFPVBQESA-N 1 1 300.315 -1.094 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2=COCCO2)nn1 ZINC001369315875 919848868 /nfs/dbraw/zinc/84/88/68/919848868.db2.gz VBJKALIOCKQCPY-NSHDSACASA-N 1 1 324.337 -1.060 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)nn1 ZINC001369315868 919849731 /nfs/dbraw/zinc/84/97/31/919849731.db2.gz VBJKALIOCKQCPY-LLVKDONJSA-N 1 1 324.337 -1.060 20 0 DAADMO CCc1onc(C)c1C[NH2+][C@H](CO)CNC(=O)Cn1ncnn1 ZINC001369320470 919853381 /nfs/dbraw/zinc/85/33/81/919853381.db2.gz BXVKAUDCGZTVGU-JTQLQIEISA-N 1 1 323.357 -1.201 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NCC1CC1 ZINC001369323767 919856355 /nfs/dbraw/zinc/85/63/55/919856355.db2.gz VEVMRPVJBNXVRK-OLZOCXBDSA-N 1 1 312.414 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NCC1CC1 ZINC001369323770 919856812 /nfs/dbraw/zinc/85/68/12/919856812.db2.gz VEVMRPVJBNXVRK-QWHCGFSZSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1noc(C)c1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001369322504 919858585 /nfs/dbraw/zinc/85/85/85/919858585.db2.gz MRIUJLWMVJDTHZ-MWLCHTKSSA-N 1 1 312.326 -1.033 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)ncn1 ZINC001369326193 919861553 /nfs/dbraw/zinc/86/15/53/919861553.db2.gz CSQFKDJNRYOKSW-LBPRGKRZSA-N 1 1 324.385 -1.329 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001369328586 919865891 /nfs/dbraw/zinc/86/58/91/919865891.db2.gz YOJXZPHHCIMMNP-SNVBAGLBSA-N 1 1 320.353 -1.111 20 0 DAADMO Cn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)c1N ZINC001369332371 919866777 /nfs/dbraw/zinc/86/67/77/919866777.db2.gz ZVJUFJPRMUAAER-SSDOTTSWSA-N 1 1 311.371 -1.266 20 0 DAADMO CCc1nocc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001369333641 919867768 /nfs/dbraw/zinc/86/77/68/919867768.db2.gz NKCYEWYCNSXYQZ-ONGXEEELSA-N 1 1 312.326 -1.088 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001369335516 919872629 /nfs/dbraw/zinc/87/26/29/919872629.db2.gz UVYLAJDLDRBAJQ-JQWIXIFHSA-N 1 1 311.386 -1.099 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001369335531 919872735 /nfs/dbraw/zinc/87/27/35/919872735.db2.gz UVYLAJDLDRBAJQ-ZYHUDNBSSA-N 1 1 311.386 -1.099 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001369337516 919874721 /nfs/dbraw/zinc/87/47/21/919874721.db2.gz LKUOCSBJDCQXIE-MVWJERBFSA-N 1 1 319.369 -1.091 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cc(C2CC2)no1)[C@@H]1CNC(=O)N1 ZINC001369341981 919878040 /nfs/dbraw/zinc/87/80/40/919878040.db2.gz TZUYSPLJBQJIFR-CABZTGNLSA-N 1 1 323.353 -1.200 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)NC2)nn1C ZINC001369345957 919882801 /nfs/dbraw/zinc/88/28/01/919882801.db2.gz OBSZXIVDJJZMAU-WCQYABFASA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369351077 919890441 /nfs/dbraw/zinc/89/04/41/919890441.db2.gz SNLSCSIAIGXQFL-UWVGGRQHSA-N 1 1 317.390 -2.151 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)ncn1 ZINC001369352368 919890467 /nfs/dbraw/zinc/89/04/67/919890467.db2.gz KGWKWOJLPWEEPA-STQMWFEESA-N 1 1 321.381 -1.027 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369351074 919892335 /nfs/dbraw/zinc/89/23/35/919892335.db2.gz SNLSCSIAIGXQFL-NXEZZACHSA-N 1 1 317.390 -2.151 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CN(C)C(=O)N2)cn1 ZINC001369357038 919893321 /nfs/dbraw/zinc/89/33/21/919893321.db2.gz ZEHDYFYGIKSKIZ-VXGBXAGGSA-N 1 1 322.369 -1.625 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](CO)[NH2+]CCN1CCCC1=O ZINC001369358399 919894626 /nfs/dbraw/zinc/89/46/26/919894626.db2.gz IPEMODBHIDOBPP-GFCCVEGCSA-N 1 1 309.370 -1.359 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369357281 919895417 /nfs/dbraw/zinc/89/54/17/919895417.db2.gz AHVJCMYFFLULBX-WCQYABFASA-N 1 1 323.397 -1.065 20 0 DAADMO O=C(Cc1cnc[nH]1)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369357280 919895615 /nfs/dbraw/zinc/89/56/15/919895615.db2.gz AHVJCMYFFLULBX-DGCLKSJQSA-N 1 1 323.397 -1.065 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)cn1 ZINC001369357035 919895675 /nfs/dbraw/zinc/89/56/75/919895675.db2.gz ZEHDYFYGIKSKIZ-NEPJUHHUSA-N 1 1 322.369 -1.625 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001369363121 919898064 /nfs/dbraw/zinc/89/80/64/919898064.db2.gz ONMRPQBQCKBSLR-MNOVXSKESA-N 1 1 324.385 -1.467 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1ncn[nH]1 ZINC001369365376 919900246 /nfs/dbraw/zinc/90/02/46/919900246.db2.gz QTJXNLLLSHLXOB-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCS(=O)(=O)C1)c1nc[nH]n1 ZINC001369365376 919900258 /nfs/dbraw/zinc/90/02/58/919900258.db2.gz QTJXNLLLSHLXOB-BDAKNGLRSA-N 1 1 317.371 -2.080 20 0 DAADMO COc1nccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001369364114 919900419 /nfs/dbraw/zinc/90/04/19/919900419.db2.gz MTGTVPUYUULGIA-AXFHLTTASA-N 1 1 323.353 -1.827 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001369368025 919903555 /nfs/dbraw/zinc/90/35/55/919903555.db2.gz WNEXYOBIRHNLGE-NTZNESFSSA-N 1 1 323.397 -1.112 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001369373390 919910651 /nfs/dbraw/zinc/91/06/51/919910651.db2.gz QTNZXMFWLOBOND-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CC(C)N(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369378121 919914012 /nfs/dbraw/zinc/91/40/12/919914012.db2.gz BALOWUWXSIGMDH-OLZOCXBDSA-N 1 1 314.430 -1.128 20 0 DAADMO CC(C)N(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369378121 919914020 /nfs/dbraw/zinc/91/40/20/919914020.db2.gz BALOWUWXSIGMDH-OLZOCXBDSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NCc1nnn(C)n1 ZINC001369387682 919919483 /nfs/dbraw/zinc/91/94/83/919919483.db2.gz VELFFPRQNUEEAH-SNVBAGLBSA-N 1 1 308.346 -2.018 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001369384553 919920179 /nfs/dbraw/zinc/92/01/79/919920179.db2.gz WQPVVPQEFQOWRN-SNVBAGLBSA-N 1 1 305.342 -1.287 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001369405824 919922093 /nfs/dbraw/zinc/92/20/93/919922093.db2.gz RWGOIGHISWRTKA-DTWKUNHWSA-N 1 1 310.362 -1.782 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)[C@H]1C ZINC001369404346 919922168 /nfs/dbraw/zinc/92/21/68/919922168.db2.gz MNKURXOERKLMSE-PSASIEDQSA-N 1 1 317.371 -1.302 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@@H]12 ZINC001369401368 919922356 /nfs/dbraw/zinc/92/23/56/919922356.db2.gz FHACJSDUDUZXSJ-BZPMIXESSA-N 1 1 324.385 -1.206 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)[C@H]1C ZINC001369404348 919923718 /nfs/dbraw/zinc/92/37/18/919923718.db2.gz MNKURXOERKLMSE-SCZZXKLOSA-N 1 1 317.371 -1.302 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CCCO)[C@H]1C ZINC001369439552 919925484 /nfs/dbraw/zinc/92/54/84/919925484.db2.gz UFINZHBEQKISFD-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001369442077 919925987 /nfs/dbraw/zinc/92/59/87/919925987.db2.gz AQGZRTHJXONMOT-GFCCVEGCSA-N 1 1 312.374 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccnn1C ZINC001369454944 919933430 /nfs/dbraw/zinc/93/34/30/919933430.db2.gz MBYLLPWLUNYKPV-LLVKDONJSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1COCCO1 ZINC001369454973 919933680 /nfs/dbraw/zinc/93/36/80/919933680.db2.gz ZFBHOBGYBSCTQS-NWDGAFQWSA-N 1 1 313.358 -1.861 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)[nH]1 ZINC001369454049 919935330 /nfs/dbraw/zinc/93/53/30/919935330.db2.gz WCQQXWNHOLZWES-GHMZBOCLSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001369459298 919937578 /nfs/dbraw/zinc/93/75/78/919937578.db2.gz IQPDTJRHIZWWQU-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccon1 ZINC001369456575 919937624 /nfs/dbraw/zinc/93/76/24/919937624.db2.gz RHCBBBLNCSVJLM-SNVBAGLBSA-N 1 1 300.315 -1.061 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cnnn2C)n1 ZINC001369456203 919937741 /nfs/dbraw/zinc/93/77/41/919937741.db2.gz OCNZHSYGVIMSKD-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nncn2C)C1 ZINC001369456532 919937974 /nfs/dbraw/zinc/93/79/74/919937974.db2.gz PSBKUSFMSNMMOO-LBPRGKRZSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncs1 ZINC001369457272 919938253 /nfs/dbraw/zinc/93/82/53/919938253.db2.gz SQRSDLNNMMLHCR-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cncc(F)c1 ZINC001369462571 919942968 /nfs/dbraw/zinc/94/29/68/919942968.db2.gz UPBVDVMGDLSBNX-LLVKDONJSA-N 1 1 323.332 -1.033 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001369465499 919944162 /nfs/dbraw/zinc/94/41/62/919944162.db2.gz UEQCINPBRPIJCR-LLVKDONJSA-N 1 1 324.385 -1.377 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CO[C@H]1CCOC1 ZINC001369466519 919944604 /nfs/dbraw/zinc/94/46/04/919944604.db2.gz JRXAQMUIYYNKRF-RYUDHWBXSA-N 1 1 314.342 -1.216 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001369468271 919946285 /nfs/dbraw/zinc/94/62/85/919946285.db2.gz JUQDNQJDWRXACG-UWVGGRQHSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1cnoc1)c1nnnn1C ZINC001369474012 919948986 /nfs/dbraw/zinc/94/89/86/919948986.db2.gz VXXXMUIJTOJWNN-GXSJLCMTSA-N 1 1 323.357 -1.089 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CNC(=O)N2)o1 ZINC001369480726 919952857 /nfs/dbraw/zinc/95/28/57/919952857.db2.gz DVWHRQAPYHADJK-ZJUUUORDSA-N 1 1 311.342 -1.427 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cncn1C ZINC001369485516 919956921 /nfs/dbraw/zinc/95/69/21/919956921.db2.gz HCWVNFFAAAOOQI-CYBMUJFWSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cncn1C ZINC001369485516 919956946 /nfs/dbraw/zinc/95/69/46/919956946.db2.gz HCWVNFFAAAOOQI-CYBMUJFWSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCCC(=O)N1 ZINC001369483098 919957510 /nfs/dbraw/zinc/95/75/10/919957510.db2.gz RAXBDWHYAPVFOB-WDEREUQCSA-N 1 1 311.342 -1.353 20 0 DAADMO CCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC001369488885 919962293 /nfs/dbraw/zinc/96/22/93/919962293.db2.gz KNDVLIMFRLGIAZ-VHSXEESVSA-N 1 1 302.375 -1.008 20 0 DAADMO CCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC001369488881 919963227 /nfs/dbraw/zinc/96/32/27/919963227.db2.gz KNDVLIMFRLGIAZ-NXEZZACHSA-N 1 1 302.375 -1.008 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH]cn1 ZINC001369489992 919963312 /nfs/dbraw/zinc/96/33/12/919963312.db2.gz YMRYKLODOLDLHO-QWRGUYRKSA-N 1 1 323.397 -1.015 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001369497075 919964183 /nfs/dbraw/zinc/96/41/83/919964183.db2.gz OLYFXIXULIHSTC-ZYHUDNBSSA-N 1 1 309.370 -1.327 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001369499079 919964775 /nfs/dbraw/zinc/96/47/75/919964775.db2.gz WEXWXBVLDMPQIQ-CMPLNLGQSA-N 1 1 316.402 -1.602 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001369499079 919964786 /nfs/dbraw/zinc/96/47/86/919964786.db2.gz WEXWXBVLDMPQIQ-CMPLNLGQSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O)C1 ZINC001369498511 919964822 /nfs/dbraw/zinc/96/48/22/919964822.db2.gz YTIOTJAVAQXKLT-MFKMUULPSA-N 1 1 301.387 -1.403 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001369499092 919965977 /nfs/dbraw/zinc/96/59/77/919965977.db2.gz WEXWXBVLDMPQIQ-ZYHUDNBSSA-N 1 1 316.402 -1.602 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001369499092 919965994 /nfs/dbraw/zinc/96/59/94/919965994.db2.gz WEXWXBVLDMPQIQ-ZYHUDNBSSA-N 1 1 316.402 -1.602 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(C)=O ZINC001369494430 919966119 /nfs/dbraw/zinc/96/61/19/919966119.db2.gz WFMRRTDMTTYFFJ-NSHDSACASA-N 1 1 302.375 -1.007 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(C)=O ZINC001369494430 919966126 /nfs/dbraw/zinc/96/61/26/919966126.db2.gz WFMRRTDMTTYFFJ-NSHDSACASA-N 1 1 302.375 -1.007 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498614 919966419 /nfs/dbraw/zinc/96/64/19/919966419.db2.gz PBALEIWXLVBFMO-JQWIXIFHSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498614 919966432 /nfs/dbraw/zinc/96/64/32/919966432.db2.gz PBALEIWXLVBFMO-JQWIXIFHSA-N 1 1 311.386 -1.162 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001369496795 919966748 /nfs/dbraw/zinc/96/67/48/919966748.db2.gz PTOMHPOXGAFJLV-PWSUYJOCSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491866 919966966 /nfs/dbraw/zinc/96/69/66/919966966.db2.gz BQVDVUMIXSJKJS-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001369491866 919966974 /nfs/dbraw/zinc/96/69/74/919966974.db2.gz BQVDVUMIXSJKJS-GHMZBOCLSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498616 919968037 /nfs/dbraw/zinc/96/80/37/919968037.db2.gz PBALEIWXLVBFMO-ZYHUDNBSSA-N 1 1 311.386 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369498616 919968050 /nfs/dbraw/zinc/96/80/50/919968050.db2.gz PBALEIWXLVBFMO-ZYHUDNBSSA-N 1 1 311.386 -1.162 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001369498967 919968304 /nfs/dbraw/zinc/96/83/04/919968304.db2.gz VJJVNHZYXJJEDF-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001369498967 919968315 /nfs/dbraw/zinc/96/83/15/919968315.db2.gz VJJVNHZYXJJEDF-LLVKDONJSA-N 1 1 309.370 -1.023 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(C)=O ZINC001369494428 919968415 /nfs/dbraw/zinc/96/84/15/919968415.db2.gz WFMRRTDMTTYFFJ-LLVKDONJSA-N 1 1 302.375 -1.007 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(C)=O ZINC001369494428 919968430 /nfs/dbraw/zinc/96/84/30/919968430.db2.gz WFMRRTDMTTYFFJ-LLVKDONJSA-N 1 1 302.375 -1.007 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCNC(=O)C1 ZINC001369499831 919969960 /nfs/dbraw/zinc/96/99/60/919969960.db2.gz CKMOTLCKVQHBBE-LLVKDONJSA-N 1 1 302.375 -2.838 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001369499921 919970478 /nfs/dbraw/zinc/97/04/78/919970478.db2.gz ZLKMPPLIWMCIAB-MNOVXSKESA-N 1 1 313.354 -1.486 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502012 919970814 /nfs/dbraw/zinc/97/08/14/919970814.db2.gz CPQAMLIYFZSQJZ-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001369502012 919970822 /nfs/dbraw/zinc/97/08/22/919970822.db2.gz CPQAMLIYFZSQJZ-NXEZZACHSA-N 1 1 312.374 -1.686 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001369501563 919971981 /nfs/dbraw/zinc/97/19/81/919971981.db2.gz IDCNXSYKVUQSHP-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001369501563 919971989 /nfs/dbraw/zinc/97/19/89/919971989.db2.gz IDCNXSYKVUQSHP-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001369499923 919973268 /nfs/dbraw/zinc/97/32/68/919973268.db2.gz ZLKMPPLIWMCIAB-WDEREUQCSA-N 1 1 313.354 -1.486 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nn1C ZINC001369500440 919973533 /nfs/dbraw/zinc/97/35/33/919973533.db2.gz BDRPCTKOUIKCFO-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nn1C ZINC001369500440 919973540 /nfs/dbraw/zinc/97/35/40/919973540.db2.gz BDRPCTKOUIKCFO-SECBINFHSA-N 1 1 313.358 -1.721 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503028 919973648 /nfs/dbraw/zinc/97/36/48/919973648.db2.gz FNOFHFDDCMDXQR-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001369503028 919973657 /nfs/dbraw/zinc/97/36/57/919973657.db2.gz FNOFHFDDCMDXQR-CMPLNLGQSA-N 1 1 311.386 -1.413 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001369506470 919974234 /nfs/dbraw/zinc/97/42/34/919974234.db2.gz LMAUCBQZJBGHPS-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cn1ncn(C)c1=O ZINC001369501150 919974835 /nfs/dbraw/zinc/97/48/35/919974835.db2.gz BHYXITPHKJNBRM-LLVKDONJSA-N 1 1 315.374 -2.285 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001369512382 919975837 /nfs/dbraw/zinc/97/58/37/919975837.db2.gz BGVFWCXGVVTAQF-GHMZBOCLSA-N 1 1 315.374 -1.813 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)n1 ZINC001369511730 919976177 /nfs/dbraw/zinc/97/61/77/919976177.db2.gz VGUHNBWGLLZZRX-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001369509723 919976240 /nfs/dbraw/zinc/97/62/40/919976240.db2.gz NZFMYORFBFBEHL-RISCZKNCSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001369509723 919976252 /nfs/dbraw/zinc/97/62/52/919976252.db2.gz NZFMYORFBFBEHL-RISCZKNCSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001369513115 919976638 /nfs/dbraw/zinc/97/66/38/919976638.db2.gz VIPYZKGQKNQLLB-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001369513115 919976655 /nfs/dbraw/zinc/97/66/55/919976655.db2.gz VIPYZKGQKNQLLB-SNVBAGLBSA-N 1 1 309.370 -1.321 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001369509728 919977730 /nfs/dbraw/zinc/97/77/30/919977730.db2.gz DODZKDNYTYRJGK-NSHDSACASA-N 1 1 324.385 -1.669 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cc1nnc[nH]1 ZINC001369509728 919977742 /nfs/dbraw/zinc/97/77/42/919977742.db2.gz DODZKDNYTYRJGK-NSHDSACASA-N 1 1 324.385 -1.669 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001369509699 919977788 /nfs/dbraw/zinc/97/77/88/919977788.db2.gz ZDMKTEXBMAYQAL-VXGBXAGGSA-N 1 1 314.386 -1.208 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001369509721 919978561 /nfs/dbraw/zinc/97/85/61/919978561.db2.gz NZFMYORFBFBEHL-BXUZGUMPSA-N 1 1 319.377 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001369509721 919978571 /nfs/dbraw/zinc/97/85/71/919978571.db2.gz NZFMYORFBFBEHL-BXUZGUMPSA-N 1 1 319.377 -1.046 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001369510819 919978957 /nfs/dbraw/zinc/97/89/57/919978957.db2.gz BKOCDXZLBZWGCS-VXGBXAGGSA-N 1 1 312.370 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnc2nccn2c1 ZINC001369509577 919979539 /nfs/dbraw/zinc/97/95/39/919979539.db2.gz XLZZKBIRGXLZLM-LLVKDONJSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnc2nccn2c1 ZINC001369509577 919979556 /nfs/dbraw/zinc/97/95/56/919979556.db2.gz XLZZKBIRGXLZLM-LLVKDONJSA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001369517205 919981396 /nfs/dbraw/zinc/98/13/96/919981396.db2.gz MSZDFFYPTHEMAB-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001369517205 919981419 /nfs/dbraw/zinc/98/14/19/919981419.db2.gz MSZDFFYPTHEMAB-LLVKDONJSA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001369517207 919982077 /nfs/dbraw/zinc/98/20/77/919982077.db2.gz MSZDFFYPTHEMAB-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001369517207 919982091 /nfs/dbraw/zinc/98/20/91/919982091.db2.gz MSZDFFYPTHEMAB-NSHDSACASA-N 1 1 309.370 -1.071 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1nc2ncccn2n1 ZINC001369515156 919982167 /nfs/dbraw/zinc/98/21/67/919982167.db2.gz MXKLMFNOCNXHAZ-NSHDSACASA-N 1 1 322.369 -1.590 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001369517585 919982490 /nfs/dbraw/zinc/98/24/90/919982490.db2.gz ISSUBRHFXFDQJT-MNOVXSKESA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001369527692 919983291 /nfs/dbraw/zinc/98/32/91/919983291.db2.gz OQUMAUPAMXGOST-NEPJUHHUSA-N 1 1 324.385 -1.692 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(C)C ZINC001369516011 919983680 /nfs/dbraw/zinc/98/36/80/919983680.db2.gz PQHOZTABOSSHLT-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CNS(=O)(=O)CC(=O)N(CC[N@H+](C)[C@@H](C)C(N)=O)C(C)C ZINC001369533402 919983829 /nfs/dbraw/zinc/98/38/29/919983829.db2.gz VMCMYBDPEZOGLQ-JTQLQIEISA-N 1 1 322.431 -1.422 20 0 DAADMO CNS(=O)(=O)CC(=O)N(CC[N@@H+](C)[C@@H](C)C(N)=O)C(C)C ZINC001369533402 919983841 /nfs/dbraw/zinc/98/38/41/919983841.db2.gz VMCMYBDPEZOGLQ-JTQLQIEISA-N 1 1 322.431 -1.422 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001369516069 919983983 /nfs/dbraw/zinc/98/39/83/919983983.db2.gz ZNZXMDPYTSEMSD-NSHDSACASA-N 1 1 312.370 -1.209 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)NC(N)=O)[C@H]1CCNC1=O ZINC001369553706 919985461 /nfs/dbraw/zinc/98/54/61/919985461.db2.gz ZIHZTULJRBUASO-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)[C@H]1CCNC1=O ZINC001369553706 919985477 /nfs/dbraw/zinc/98/54/77/919985477.db2.gz ZIHZTULJRBUASO-UWVGGRQHSA-N 1 1 315.374 -2.004 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001369574679 919986959 /nfs/dbraw/zinc/98/69/59/919986959.db2.gz DBHBTGLYOBRFDP-PUSIOWJLSA-N 1 1 309.374 -1.186 20 0 DAADMO C[C@@H]([NH2+]C1CC(N(C)C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001369584989 919988956 /nfs/dbraw/zinc/98/89/56/919988956.db2.gz FVTAITNWRXICTM-XNWIYYODSA-N 1 1 324.389 -1.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369798552 919998057 /nfs/dbraw/zinc/99/80/57/919998057.db2.gz HWTCPBQFZWXJPQ-DCAQKATOSA-N 1 1 302.375 -1.369 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001369781167 919998085 /nfs/dbraw/zinc/99/80/85/919998085.db2.gz BZJWWKAFYHLOOK-SECBINFHSA-N 1 1 320.415 -1.668 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001369798553 920000713 /nfs/dbraw/zinc/00/07/13/920000713.db2.gz HWTCPBQFZWXJPQ-GARJFASQSA-N 1 1 302.375 -1.369 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001369815321 920001295 /nfs/dbraw/zinc/00/12/95/920001295.db2.gz HKWKMZMCABLPQJ-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN([C@@H]2CCNC2=O)CC1 ZINC001369887387 920007356 /nfs/dbraw/zinc/00/73/56/920007356.db2.gz JTDMHPLPCIZJEG-UONOGXRCSA-N 1 1 323.441 -1.297 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN([C@H]2CCNC2=O)CC1 ZINC001369887386 920008782 /nfs/dbraw/zinc/00/87/82/920008782.db2.gz JTDMHPLPCIZJEG-KGLIPLIRSA-N 1 1 323.441 -1.297 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001369902644 920011716 /nfs/dbraw/zinc/01/17/16/920011716.db2.gz RKOAKBZYZTWHJV-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001369983833 920024263 /nfs/dbraw/zinc/02/42/63/920024263.db2.gz GZLRCWJFVVMSKH-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001369983833 920024275 /nfs/dbraw/zinc/02/42/75/920024275.db2.gz GZLRCWJFVVMSKH-MNOVXSKESA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001369983834 920026450 /nfs/dbraw/zinc/02/64/50/920026450.db2.gz GZLRCWJFVVMSKH-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001369983834 920026461 /nfs/dbraw/zinc/02/64/61/920026461.db2.gz GZLRCWJFVVMSKH-QWRGUYRKSA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009309 920030292 /nfs/dbraw/zinc/03/02/92/920030292.db2.gz LPPQWJNBYREZPG-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009309 920030309 /nfs/dbraw/zinc/03/03/09/920030309.db2.gz LPPQWJNBYREZPG-VHSXEESVSA-N 1 1 310.395 -1.021 20 0 DAADMO CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009314 920031075 /nfs/dbraw/zinc/03/10/75/920031075.db2.gz LPPQWJNBYREZPG-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009314 920031090 /nfs/dbraw/zinc/03/10/90/920031090.db2.gz LPPQWJNBYREZPG-ZJUUUORDSA-N 1 1 310.395 -1.021 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370035717 920032697 /nfs/dbraw/zinc/03/26/97/920032697.db2.gz VGHYWRBQZIRUDF-QWRGUYRKSA-N 1 1 309.374 -1.223 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001370009220 920033058 /nfs/dbraw/zinc/03/30/58/920033058.db2.gz XSWRWINJQJPNQS-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001370009220 920033077 /nfs/dbraw/zinc/03/30/77/920033077.db2.gz XSWRWINJQJPNQS-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001370037751 920033587 /nfs/dbraw/zinc/03/35/87/920033587.db2.gz XPYMXJWSVUSQMG-ZJUUUORDSA-N 1 1 313.358 -2.697 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001370037751 920033604 /nfs/dbraw/zinc/03/36/04/920033604.db2.gz XPYMXJWSVUSQMG-ZJUUUORDSA-N 1 1 313.358 -2.697 20 0 DAADMO CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009308 920033725 /nfs/dbraw/zinc/03/37/25/920033725.db2.gz LPPQWJNBYREZPG-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001370009308 920033740 /nfs/dbraw/zinc/03/37/40/920033740.db2.gz LPPQWJNBYREZPG-UWVGGRQHSA-N 1 1 310.395 -1.021 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)C1=O ZINC001370045496 920034061 /nfs/dbraw/zinc/03/40/61/920034061.db2.gz OHDWCOKFQDMEHM-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001370066408 920035818 /nfs/dbraw/zinc/03/58/18/920035818.db2.gz JZUNUDYRUMLFMB-NEPJUHHUSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001370070618 920036585 /nfs/dbraw/zinc/03/65/85/920036585.db2.gz QSZLHOOPZXXXMO-JQWIXIFHSA-N 1 1 306.370 -1.173 20 0 DAADMO Cn1cc(CCC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001370070618 920036602 /nfs/dbraw/zinc/03/66/02/920036602.db2.gz QSZLHOOPZXXXMO-JQWIXIFHSA-N 1 1 306.370 -1.173 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001370066414 920036733 /nfs/dbraw/zinc/03/67/33/920036733.db2.gz JZUNUDYRUMLFMB-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001370124578 920039033 /nfs/dbraw/zinc/03/90/33/920039033.db2.gz KAKNPCXKRXYLOQ-JTQLQIEISA-N 1 1 305.346 -1.514 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370184628 920041304 /nfs/dbraw/zinc/04/13/04/920041304.db2.gz XSWQPTVLDYCBFI-LLVKDONJSA-N 1 1 323.401 -1.024 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001370212735 920043205 /nfs/dbraw/zinc/04/32/05/920043205.db2.gz HBYHZRFOSJEPFM-WDEREUQCSA-N 1 1 321.385 -1.185 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001370301387 920048105 /nfs/dbraw/zinc/04/81/05/920048105.db2.gz ZSDSPEGINFGYDW-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO COC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001370290891 920050116 /nfs/dbraw/zinc/05/01/16/920050116.db2.gz GDMTYUMQEAVCNY-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001370364723 920050952 /nfs/dbraw/zinc/05/09/52/920050952.db2.gz LPTSSCURSWONSJ-NSHDSACASA-N 1 1 322.369 -1.012 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001370330025 920053267 /nfs/dbraw/zinc/05/32/67/920053267.db2.gz LLTRAXZQEXZOCV-GRYCIOLGSA-N 1 1 310.358 -1.644 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001370522745 920065757 /nfs/dbraw/zinc/06/57/57/920065757.db2.gz QJDSYXULAKDPBX-IJLUTSLNSA-N 1 1 323.401 -1.024 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001370560998 920069482 /nfs/dbraw/zinc/06/94/82/920069482.db2.gz DDPUMTBPDBNZPS-KYZUINATSA-N 1 1 316.387 -1.618 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001370547859 920070658 /nfs/dbraw/zinc/07/06/58/920070658.db2.gz AQHWWVSCSHMTPF-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001370594221 920071208 /nfs/dbraw/zinc/07/12/08/920071208.db2.gz RXJPKSBGPQKKKJ-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001370594228 920072607 /nfs/dbraw/zinc/07/26/07/920072607.db2.gz RXJPKSBGPQKKKJ-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)NCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001370586924 920073440 /nfs/dbraw/zinc/07/34/40/920073440.db2.gz PCJBJYHCHLPMBC-FGWVZKOKSA-N 1 1 311.386 -1.098 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001370630207 920074590 /nfs/dbraw/zinc/07/45/90/920074590.db2.gz DBCSXTJHXNRDJW-PHIMTYICSA-N 1 1 324.385 -1.343 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001370617061 920074764 /nfs/dbraw/zinc/07/47/64/920074764.db2.gz RLQVWKQWDJJMAM-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370635871 920078509 /nfs/dbraw/zinc/07/85/09/920078509.db2.gz IWDJTAQUIQRNJF-GHMZBOCLSA-N 1 1 300.359 -2.333 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C2=COCCO2)C1 ZINC001370635398 920079048 /nfs/dbraw/zinc/07/90/48/920079048.db2.gz IZIJCNXTJBTKNT-WDEREUQCSA-N 1 1 313.354 -1.580 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001370649521 920088296 /nfs/dbraw/zinc/08/82/96/920088296.db2.gz JTYSRWAHXYRTHI-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001370655613 920090722 /nfs/dbraw/zinc/09/07/22/920090722.db2.gz ZWNPXFSUMKEZLG-LBPRGKRZSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCCC(N)=O ZINC001370663146 920095818 /nfs/dbraw/zinc/09/58/18/920095818.db2.gz BPVYIQOLMGWJDZ-MNOVXSKESA-N 1 1 314.386 -1.671 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670667 920099486 /nfs/dbraw/zinc/09/94/86/920099486.db2.gz FBNWUBTYDSLCAC-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001370670667 920099496 /nfs/dbraw/zinc/09/94/96/920099496.db2.gz FBNWUBTYDSLCAC-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CS(C)(=O)=O)C1 ZINC001370669676 920100544 /nfs/dbraw/zinc/10/05/44/920100544.db2.gz WETNSKLHKKZQAN-ZJUUUORDSA-N 1 1 321.399 -2.424 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001370673816 920102364 /nfs/dbraw/zinc/10/23/64/920102364.db2.gz WGBBVABTCXXWKH-NWDGAFQWSA-N 1 1 309.370 -1.360 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674358 920106443 /nfs/dbraw/zinc/10/64/43/920106443.db2.gz ITVGHLHWVSNZSS-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(F)F)C1 ZINC001370674358 920106451 /nfs/dbraw/zinc/10/64/51/920106451.db2.gz ITVGHLHWVSNZSS-IUCAKERBSA-N 1 1 309.313 -1.435 20 0 DAADMO Cn1nccc1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001370675731 920107476 /nfs/dbraw/zinc/10/74/76/920107476.db2.gz YMGVZVMFIVVJMZ-DGCLKSJQSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370682158 920112078 /nfs/dbraw/zinc/11/20/78/920112078.db2.gz DWRJWSANXQRJRZ-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001370682191 920112727 /nfs/dbraw/zinc/11/27/27/920112727.db2.gz DWRJWSANXQRJRZ-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001370684034 920115214 /nfs/dbraw/zinc/11/52/14/920115214.db2.gz GWLZNFRGTCMCGZ-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001370698705 920126967 /nfs/dbraw/zinc/12/69/67/920126967.db2.gz NLEIZFQJEBZFKP-ZYHUDNBSSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2ncnn2)C1 ZINC001370705759 920132554 /nfs/dbraw/zinc/13/25/54/920132554.db2.gz IBWDRKMTOCBWGH-UWVGGRQHSA-N 1 1 311.346 -2.782 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001370706720 920132574 /nfs/dbraw/zinc/13/25/74/920132574.db2.gz KXJKBYRPPRUOGA-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001370706724 920132865 /nfs/dbraw/zinc/13/28/65/920132865.db2.gz KXJKBYRPPRUOGA-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1cnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001370708386 920133382 /nfs/dbraw/zinc/13/33/82/920133382.db2.gz PZWLNKGWHJPWSU-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370708448 920135056 /nfs/dbraw/zinc/13/50/56/920135056.db2.gz RBIVYIOKMVAJPV-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001370710764 920135177 /nfs/dbraw/zinc/13/51/77/920135177.db2.gz XWIVIRJVNLVFTC-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001370710289 920136751 /nfs/dbraw/zinc/13/67/51/920136751.db2.gz VZVOUHYEMXYBGU-RYUDHWBXSA-N 1 1 323.397 -1.113 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001370718544 920137860 /nfs/dbraw/zinc/13/78/60/920137860.db2.gz QTPFTMLNNHZDDR-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccn(C)n2)CC[N@H+]1C ZINC001370712936 920138007 /nfs/dbraw/zinc/13/80/07/920138007.db2.gz AWEHNXRTFKFRND-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO Cc1nonc1C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001370716607 920139455 /nfs/dbraw/zinc/13/94/55/920139455.db2.gz MLKUHKYEFFHCNN-SNVBAGLBSA-N 1 1 313.358 -1.075 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn(C)nn2)CC[N@H+]1C ZINC001370722455 920142670 /nfs/dbraw/zinc/14/26/70/920142670.db2.gz WBLNOHFVBSJKFF-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1nonc1C ZINC001370729020 920144411 /nfs/dbraw/zinc/14/44/11/920144411.db2.gz XIZLTZKYIZEUGY-JTQLQIEISA-N 1 1 313.358 -1.073 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001370726722 920144658 /nfs/dbraw/zinc/14/46/58/920144658.db2.gz DNMYQYKPTVCDLT-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726722 920144663 /nfs/dbraw/zinc/14/46/63/920144663.db2.gz DNMYQYKPTVCDLT-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726722 920144668 /nfs/dbraw/zinc/14/46/68/920144668.db2.gz DNMYQYKPTVCDLT-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001370726719 920145096 /nfs/dbraw/zinc/14/50/96/920145096.db2.gz DNMYQYKPTVCDLT-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726719 920145102 /nfs/dbraw/zinc/14/51/02/920145102.db2.gz DNMYQYKPTVCDLT-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cnn[nH]1 ZINC001370726719 920145105 /nfs/dbraw/zinc/14/51/05/920145105.db2.gz DNMYQYKPTVCDLT-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001370733735 920146875 /nfs/dbraw/zinc/14/68/75/920146875.db2.gz QACOXQJCEQSNGV-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001370732011 920148283 /nfs/dbraw/zinc/14/82/83/920148283.db2.gz PMULFWHQSRELFI-LLVKDONJSA-N 1 1 321.385 -1.220 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001370738695 920149551 /nfs/dbraw/zinc/14/95/51/920149551.db2.gz FUIMEZIZVKUUAC-AXFHLTTASA-N 1 1 323.353 -2.094 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cncn1C ZINC001370737393 920150275 /nfs/dbraw/zinc/15/02/75/920150275.db2.gz DPWZEROFICWQQI-LLVKDONJSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001370745049 920152931 /nfs/dbraw/zinc/15/29/31/920152931.db2.gz NSBRJAOSEBECRS-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001370744615 920153010 /nfs/dbraw/zinc/15/30/10/920153010.db2.gz NCAHUOASDTVNQU-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001370744615 920153031 /nfs/dbraw/zinc/15/30/31/920153031.db2.gz NCAHUOASDTVNQU-JTQLQIEISA-N 1 1 322.369 -1.025 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H](O)C(C)C ZINC001370745202 920153438 /nfs/dbraw/zinc/15/34/38/920153438.db2.gz TWPLCIAGRMVUAD-DGCLKSJQSA-N 1 1 312.370 -1.198 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001370746502 920153791 /nfs/dbraw/zinc/15/37/91/920153791.db2.gz RDACRFGYQJCWSF-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001370741659 920153841 /nfs/dbraw/zinc/15/38/41/920153841.db2.gz JMSWTPNOJSYVKW-LLVKDONJSA-N 1 1 324.337 -1.327 20 0 DAADMO Cn1ccc(C(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001370745052 920154576 /nfs/dbraw/zinc/15/45/76/920154576.db2.gz NSBRJAOSEBECRS-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001370752472 920156701 /nfs/dbraw/zinc/15/67/01/920156701.db2.gz HZNOIYNWTPDCGH-QWRGUYRKSA-N 1 1 323.353 -1.937 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001370752468 920157294 /nfs/dbraw/zinc/15/72/94/920157294.db2.gz HZNOIYNWTPDCGH-MNOVXSKESA-N 1 1 323.353 -1.937 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370751402 920158251 /nfs/dbraw/zinc/15/82/51/920158251.db2.gz IDSMDFSYFWIVJY-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001370756190 920159793 /nfs/dbraw/zinc/15/97/93/920159793.db2.gz HBFVVRWKPMSQSZ-WCQYABFASA-N 1 1 323.397 -1.052 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ncn(C)n1 ZINC001370756662 920160526 /nfs/dbraw/zinc/16/05/26/920160526.db2.gz IVMGMXWVLXKWSS-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001370765526 920162702 /nfs/dbraw/zinc/16/27/02/920162702.db2.gz DBLHATWPASTCEN-NSHDSACASA-N 1 1 313.402 -1.120 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001370765524 920163040 /nfs/dbraw/zinc/16/30/40/920163040.db2.gz DBLHATWPASTCEN-LLVKDONJSA-N 1 1 313.402 -1.120 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnoc2)C1 ZINC001370766706 920165310 /nfs/dbraw/zinc/16/53/10/920165310.db2.gz AKFGBESHTOSSGZ-NWDGAFQWSA-N 1 1 310.354 -1.238 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)Cc2cnoc2)C1 ZINC001370766708 920166060 /nfs/dbraw/zinc/16/60/60/920166060.db2.gz AKFGBESHTOSSGZ-VXGBXAGGSA-N 1 1 310.354 -1.238 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)Cc2cnoc2)C1 ZINC001370766707 920166653 /nfs/dbraw/zinc/16/66/53/920166653.db2.gz AKFGBESHTOSSGZ-RYUDHWBXSA-N 1 1 310.354 -1.238 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001370778908 920171829 /nfs/dbraw/zinc/17/18/29/920171829.db2.gz PLAWLKKUIACBEP-SNVBAGLBSA-N 1 1 320.415 -1.631 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001370778908 920171841 /nfs/dbraw/zinc/17/18/41/920171841.db2.gz PLAWLKKUIACBEP-SNVBAGLBSA-N 1 1 320.415 -1.631 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2ncccn2)C1 ZINC001370779450 920174093 /nfs/dbraw/zinc/17/40/93/920174093.db2.gz SDJCJMHSRZMXSZ-QWRGUYRKSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ncccn2)C1 ZINC001370779445 920174444 /nfs/dbraw/zinc/17/44/44/920174444.db2.gz SDJCJMHSRZMXSZ-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncccn2)C1 ZINC001370779452 920174534 /nfs/dbraw/zinc/17/45/34/920174534.db2.gz SDJCJMHSRZMXSZ-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001370804848 920182099 /nfs/dbraw/zinc/18/20/99/920182099.db2.gz RJLMSWFOIPOGSV-UWVGGRQHSA-N 1 1 312.374 -1.719 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802759 920184296 /nfs/dbraw/zinc/18/42/96/920184296.db2.gz FGDWJSUMKYMCGR-QWRGUYRKSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)C)C1 ZINC001370802759 920184307 /nfs/dbraw/zinc/18/43/07/920184307.db2.gz FGDWJSUMKYMCGR-QWRGUYRKSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)CNC(N)=O)C1 ZINC001370810715 920186672 /nfs/dbraw/zinc/18/66/72/920186672.db2.gz VFQOUZNIDTZODU-VHSXEESVSA-N 1 1 315.374 -2.410 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)COC ZINC001370851325 920188663 /nfs/dbraw/zinc/18/86/63/920188663.db2.gz HWKRDPBAOQOYFC-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001370849000 920188779 /nfs/dbraw/zinc/18/87/79/920188779.db2.gz BKQDFMRPQOVPJW-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001370849000 920188783 /nfs/dbraw/zinc/18/87/83/920188783.db2.gz BKQDFMRPQOVPJW-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001370874715 920191361 /nfs/dbraw/zinc/19/13/61/920191361.db2.gz QLLPQMFYFKPBMZ-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001370874715 920191369 /nfs/dbraw/zinc/19/13/69/920191369.db2.gz QLLPQMFYFKPBMZ-LLVKDONJSA-N 1 1 311.386 -2.126 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954672 920196071 /nfs/dbraw/zinc/19/60/71/920196071.db2.gz XZUUFCPQXJFEGR-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954672 920196086 /nfs/dbraw/zinc/19/60/86/920196086.db2.gz XZUUFCPQXJFEGR-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954677 920197383 /nfs/dbraw/zinc/19/73/83/920197383.db2.gz XZUUFCPQXJFEGR-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C(F)F)C1 ZINC001370954677 920197393 /nfs/dbraw/zinc/19/73/93/920197393.db2.gz XZUUFCPQXJFEGR-UWVGGRQHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001370979798 920203254 /nfs/dbraw/zinc/20/32/54/920203254.db2.gz MHGMPUFPXZOWKM-QWHCGFSZSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cc[nH]c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001370979798 920203269 /nfs/dbraw/zinc/20/32/69/920203269.db2.gz MHGMPUFPXZOWKM-QWHCGFSZSA-N 1 1 324.381 -1.106 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001370986479 920207299 /nfs/dbraw/zinc/20/72/99/920207299.db2.gz PFGLVFVPAIFKFV-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)CN1CCCC1 ZINC001371002801 920211545 /nfs/dbraw/zinc/21/15/45/920211545.db2.gz ABXCLQLWIYXUKT-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCNC1=O ZINC001371015281 920216939 /nfs/dbraw/zinc/21/69/39/920216939.db2.gz PYIQFKSAMAABQS-ZXPJVPCYSA-N 1 1 311.382 -1.434 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001371028598 920219848 /nfs/dbraw/zinc/21/98/48/920219848.db2.gz ZDKYEJZPXNAPTP-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001371028599 920220545 /nfs/dbraw/zinc/22/05/45/920220545.db2.gz ZDKYEJZPXNAPTP-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371027227 920221150 /nfs/dbraw/zinc/22/11/50/920221150.db2.gz WIKNOSDHQVVXBC-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1cnc[nH]1)C(=O)CC[NH+](C)C ZINC001371034981 920224436 /nfs/dbraw/zinc/22/44/36/920224436.db2.gz WOFGDYGWFXTLSA-GFCCVEGCSA-N 1 1 311.386 -1.161 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)[NH2+]Cc1nccn1C ZINC001371186857 920238106 /nfs/dbraw/zinc/23/81/06/920238106.db2.gz KLQJVILEEPCYMQ-VIFPVBQESA-N 1 1 320.357 -1.595 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1cn(C)nn1 ZINC001371210549 920239601 /nfs/dbraw/zinc/23/96/01/920239601.db2.gz GQHUAUQZZYLOFB-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001371265795 920240683 /nfs/dbraw/zinc/24/06/83/920240683.db2.gz UKQCBARBGJXPAQ-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1cscn1 ZINC001371309042 920245054 /nfs/dbraw/zinc/24/50/54/920245054.db2.gz KXEBMOVPRPOQGQ-QMMMGPOBSA-N 1 1 321.428 -1.209 20 0 DAADMO Cc1ccnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001371366407 920248264 /nfs/dbraw/zinc/24/82/64/920248264.db2.gz UKQRQIAOLNOJEM-ZJUUUORDSA-N 1 1 320.353 -1.023 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1O ZINC001371447617 920254734 /nfs/dbraw/zinc/25/47/34/920254734.db2.gz YJRYDUUJANLWJY-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1O ZINC001371447617 920254749 /nfs/dbraw/zinc/25/47/49/920254749.db2.gz YJRYDUUJANLWJY-MXWKQRLJSA-N 1 1 301.343 -2.349 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001371453454 920257930 /nfs/dbraw/zinc/25/79/30/920257930.db2.gz ICCHRHCDVXQIMB-ZYHUDNBSSA-N 1 1 324.385 -1.543 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001371518338 920270992 /nfs/dbraw/zinc/27/09/92/920270992.db2.gz DRJVEZOKUBKWFU-NEPJUHHUSA-N 1 1 314.386 -1.848 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC001371529881 920276567 /nfs/dbraw/zinc/27/65/67/920276567.db2.gz KLFWYSNXWBLGMV-OLZOCXBDSA-N 1 1 323.397 -1.089 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001371537740 920279726 /nfs/dbraw/zinc/27/97/26/920279726.db2.gz MRKFMAABBKKBEP-RYUDHWBXSA-N 1 1 319.369 -1.205 20 0 DAADMO COCC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001371537422 920281278 /nfs/dbraw/zinc/28/12/78/920281278.db2.gz YRIVTWRALFJBCJ-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001371544417 920282395 /nfs/dbraw/zinc/28/23/95/920282395.db2.gz OYGUKWNTZRMMIQ-QMMMGPOBSA-N 1 1 319.412 -1.222 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001371558698 920286084 /nfs/dbraw/zinc/28/60/84/920286084.db2.gz UFFWYXOLLWUQAF-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CNC(N)=O)C[C@H]32)C1 ZINC001371549481 920286450 /nfs/dbraw/zinc/28/64/50/920286450.db2.gz ADTMEQILYWNVJF-IJLUTSLNSA-N 1 1 323.397 -1.334 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1O ZINC001371545571 920286836 /nfs/dbraw/zinc/28/68/36/920286836.db2.gz ZKIUZESKKNRVSJ-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001371692411 920295067 /nfs/dbraw/zinc/29/50/67/920295067.db2.gz NOXHRJLYFJDEQQ-SNVBAGLBSA-N 1 1 320.415 -1.537 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001371692411 920295085 /nfs/dbraw/zinc/29/50/85/920295085.db2.gz NOXHRJLYFJDEQQ-SNVBAGLBSA-N 1 1 320.415 -1.537 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001371695230 920295140 /nfs/dbraw/zinc/29/51/40/920295140.db2.gz RXZPPNDNGYAFEM-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001371695230 920295154 /nfs/dbraw/zinc/29/51/54/920295154.db2.gz RXZPPNDNGYAFEM-DCQANWLSSA-N 1 1 324.381 -1.004 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001371696094 920295282 /nfs/dbraw/zinc/29/52/82/920295282.db2.gz ZOEYYPWPDDVHTB-NSHDSACASA-N 1 1 324.385 -1.260 20 0 DAADMO Cn1cnnc1COCC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001371696094 920295298 /nfs/dbraw/zinc/29/52/98/920295298.db2.gz ZOEYYPWPDDVHTB-NSHDSACASA-N 1 1 324.385 -1.260 20 0 DAADMO C[C@H](CCNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001371767688 920297848 /nfs/dbraw/zinc/29/78/48/920297848.db2.gz DNPPQYUIGWYPCM-NXEZZACHSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@H](CCNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nnn(C)n1 ZINC001371809674 920300912 /nfs/dbraw/zinc/30/09/12/920300912.db2.gz NCRJLAAAPZSGGO-SNVBAGLBSA-N 1 1 324.389 -2.374 20 0 DAADMO C[C@H](CCNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001371846651 920304759 /nfs/dbraw/zinc/30/47/59/920304759.db2.gz RIMPFEBKZOEBRU-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO C[C@H](CCNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCOCC1 ZINC001371846651 920304782 /nfs/dbraw/zinc/30/47/82/920304782.db2.gz RIMPFEBKZOEBRU-SNVBAGLBSA-N 1 1 310.358 -1.239 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)CCNC(=O)NC(C)C ZINC001371895869 920310520 /nfs/dbraw/zinc/31/05/20/920310520.db2.gz UFOFGBSTNZCXJB-UHFFFAOYSA-N 1 1 301.391 -1.122 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC001371927307 920311757 /nfs/dbraw/zinc/31/17/57/920311757.db2.gz JDOYBPYQBHTJLB-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC001371927307 920311773 /nfs/dbraw/zinc/31/17/73/920311773.db2.gz JDOYBPYQBHTJLB-JTQLQIEISA-N 1 1 300.359 -1.083 20 0 DAADMO C[N@H+](CCNC(=O)CC1OCCCO1)CCNS(C)(=O)=O ZINC001371950516 920312388 /nfs/dbraw/zinc/31/23/88/920312388.db2.gz HDTSYWGYPUGRCP-UHFFFAOYSA-N 1 1 323.415 -1.263 20 0 DAADMO C[N@@H+](CCNC(=O)CC1OCCCO1)CCNS(C)(=O)=O ZINC001371950516 920312411 /nfs/dbraw/zinc/31/24/11/920312411.db2.gz HDTSYWGYPUGRCP-UHFFFAOYSA-N 1 1 323.415 -1.263 20 0 DAADMO C[C@@H](C(=O)NCC[N@@H+](C)CCN1CCNC1=O)n1cncn1 ZINC001371950112 920313378 /nfs/dbraw/zinc/31/33/78/920313378.db2.gz FCKYLWAMLZSXIJ-NSHDSACASA-N 1 1 309.374 -1.088 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001372002015 920322029 /nfs/dbraw/zinc/32/20/29/920322029.db2.gz YLQGWZFNSVLHIM-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CCNS(C)(=O)=O ZINC001372007934 920323966 /nfs/dbraw/zinc/32/39/66/920323966.db2.gz YSWUHHAWOLSVNT-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)CCNS(C)(=O)=O ZINC001372007934 920323976 /nfs/dbraw/zinc/32/39/76/920323976.db2.gz YSWUHHAWOLSVNT-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001372022006 920327384 /nfs/dbraw/zinc/32/73/84/920327384.db2.gz ZTSZMEMTYWAAJZ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@H+](C)[C@H]2CCCNC2=O)c1=O ZINC001372051813 920329560 /nfs/dbraw/zinc/32/95/60/920329560.db2.gz HKUPWEXXDHKPGG-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)[C@H]2CCCNC2=O)c1=O ZINC001372051813 920329571 /nfs/dbraw/zinc/32/95/71/920329571.db2.gz HKUPWEXXDHKPGG-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001372036162 920330032 /nfs/dbraw/zinc/33/00/32/920330032.db2.gz AEMSOVOVHQHBSZ-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)C(=O)CNC(N)=O)C1 ZINC001372077236 920332240 /nfs/dbraw/zinc/33/22/40/920332240.db2.gz YHMRSVAFPVBQPD-NSHDSACASA-N 1 1 322.369 -1.081 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O)S(C)(=O)=O ZINC001372111574 920336574 /nfs/dbraw/zinc/33/65/74/920336574.db2.gz VBSGXQYEMHHPRQ-ZJUUUORDSA-N 1 1 320.415 -1.953 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O)S(C)(=O)=O ZINC001372111574 920336587 /nfs/dbraw/zinc/33/65/87/920336587.db2.gz VBSGXQYEMHHPRQ-ZJUUUORDSA-N 1 1 320.415 -1.953 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372103907 920336613 /nfs/dbraw/zinc/33/66/13/920336613.db2.gz QDSYYADKZBEOFG-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001372103907 920336627 /nfs/dbraw/zinc/33/66/27/920336627.db2.gz QDSYYADKZBEOFG-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001372093232 920337644 /nfs/dbraw/zinc/33/76/44/920337644.db2.gz RDULIYHLYXABFZ-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001372093232 920337660 /nfs/dbraw/zinc/33/76/60/920337660.db2.gz RDULIYHLYXABFZ-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001372157239 920338865 /nfs/dbraw/zinc/33/88/65/920338865.db2.gz NAOHRZQPXNCZLM-UHFFFAOYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001372157239 920338882 /nfs/dbraw/zinc/33/88/82/920338882.db2.gz NAOHRZQPXNCZLM-UHFFFAOYSA-N 1 1 301.347 -1.856 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001372128445 920339991 /nfs/dbraw/zinc/33/99/91/920339991.db2.gz BEABVKJOFKOZSV-IUCAKERBSA-N 1 1 302.331 -2.360 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001372157408 920340070 /nfs/dbraw/zinc/34/00/70/920340070.db2.gz AWBSLFRRXWBBHV-JTNHKYCSSA-N 1 1 315.370 -1.070 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)cn2n1 ZINC001372159536 920343001 /nfs/dbraw/zinc/34/30/01/920343001.db2.gz UNJFLXZRVPUREM-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)cn2n1 ZINC001372159536 920343017 /nfs/dbraw/zinc/34/30/17/920343017.db2.gz UNJFLXZRVPUREM-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO COCC(=O)NCCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001372203107 920345152 /nfs/dbraw/zinc/34/51/52/920345152.db2.gz BQAIIVZKFWAQEI-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCN(C)S(C)(=O)=O ZINC001372221096 920347309 /nfs/dbraw/zinc/34/73/09/920347309.db2.gz PDODFUAUUGYUHI-GFCCVEGCSA-N 1 1 320.459 -1.123 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001372245526 920353635 /nfs/dbraw/zinc/35/36/35/920353635.db2.gz NNKPLEDAVWCWON-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001372258259 920354564 /nfs/dbraw/zinc/35/45/64/920354564.db2.gz PJDBCEFXOFADSY-LLVKDONJSA-N 1 1 310.354 -1.151 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001372255774 920356856 /nfs/dbraw/zinc/35/68/56/920356856.db2.gz MMCRPFHZXNFWKT-LLVKDONJSA-N 1 1 310.354 -1.151 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)C[C@H](O)Cn1cccn1 ZINC001372286740 920357442 /nfs/dbraw/zinc/35/74/42/920357442.db2.gz YWOMVJZHJRCFJM-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CC[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)NC(=O)NC ZINC001372399457 920367081 /nfs/dbraw/zinc/36/70/81/920367081.db2.gz PQCQNBWKRUSRBN-UHFFFAOYSA-N 1 1 324.341 -1.723 20 0 DAADMO CC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)CC(=O)NC(=O)NC ZINC001372399457 920367096 /nfs/dbraw/zinc/36/70/96/920367096.db2.gz PQCQNBWKRUSRBN-UHFFFAOYSA-N 1 1 324.341 -1.723 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)CCn1cncn1 ZINC001372395722 920368568 /nfs/dbraw/zinc/36/85/68/920368568.db2.gz MFIAXXOTLDKFCO-UHFFFAOYSA-N 1 1 323.401 -1.852 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCNC1=O ZINC001372411712 920370066 /nfs/dbraw/zinc/37/00/66/920370066.db2.gz RJNATCUAZWXUEK-GARJFASQSA-N 1 1 312.370 -1.654 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C[C@H](O)COC ZINC001372482000 920374830 /nfs/dbraw/zinc/37/48/30/920374830.db2.gz VFJYPXSHXOHNMV-NSHDSACASA-N 1 1 314.386 -1.217 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001372492952 920376105 /nfs/dbraw/zinc/37/61/05/920376105.db2.gz QZYMNTSJIHDCJK-SNVBAGLBSA-N 1 1 308.342 -1.341 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001372492952 920376118 /nfs/dbraw/zinc/37/61/18/920376118.db2.gz QZYMNTSJIHDCJK-SNVBAGLBSA-N 1 1 308.342 -1.341 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001372494078 920377827 /nfs/dbraw/zinc/37/78/27/920377827.db2.gz KKWUKTRQAPZCOL-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372507108 920379834 /nfs/dbraw/zinc/37/98/34/920379834.db2.gz PAOOFGIGRXCWOD-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372507108 920379849 /nfs/dbraw/zinc/37/98/49/920379849.db2.gz PAOOFGIGRXCWOD-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001372513090 920380294 /nfs/dbraw/zinc/38/02/94/920380294.db2.gz SWPDFTULVPZKFR-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 ZINC001372545939 920382292 /nfs/dbraw/zinc/38/22/92/920382292.db2.gz IAVIKUDLKPTCSC-GMTAPVOTSA-N 1 1 311.386 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001372531437 920382385 /nfs/dbraw/zinc/38/23/85/920382385.db2.gz IGFNXRZILZWOJB-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCNC1=O ZINC001372531437 920382401 /nfs/dbraw/zinc/38/24/01/920382401.db2.gz IGFNXRZILZWOJB-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001372542198 920382723 /nfs/dbraw/zinc/38/27/23/920382723.db2.gz AYIYSCAIALPNHL-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001372542198 920382736 /nfs/dbraw/zinc/38/27/36/920382736.db2.gz AYIYSCAIALPNHL-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cnnn1 ZINC001372552598 920387659 /nfs/dbraw/zinc/38/76/59/920387659.db2.gz TWNPASDOQWJCIB-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001372611442 920389747 /nfs/dbraw/zinc/38/97/47/920389747.db2.gz BHIAITBPSJZZQI-WDEREUQCSA-N 1 1 313.402 -1.170 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001372595779 920390246 /nfs/dbraw/zinc/39/02/46/920390246.db2.gz YMCLGKCOHJCMMA-PHIMTYICSA-N 1 1 309.374 -1.223 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372603992 920391782 /nfs/dbraw/zinc/39/17/82/920391782.db2.gz FDYCFZRWUIICBL-MWLCHTKSSA-N 1 1 300.359 -1.364 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cnnn2C)C1 ZINC001372612282 920392387 /nfs/dbraw/zinc/39/23/87/920392387.db2.gz MSSXFVJEMIRLCR-DTWKUNHWSA-N 1 1 323.357 -1.550 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnns2)C1 ZINC001372618674 920392882 /nfs/dbraw/zinc/39/28/82/920392882.db2.gz ZDGXSBUXFXHKAE-ZETCQYMHSA-N 1 1 312.355 -1.215 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnns2)C1 ZINC001372618674 920392902 /nfs/dbraw/zinc/39/29/02/920392902.db2.gz ZDGXSBUXFXHKAE-ZETCQYMHSA-N 1 1 312.355 -1.215 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001372653544 920393452 /nfs/dbraw/zinc/39/34/52/920393452.db2.gz QILRGCIIEUCOKW-ZJUUUORDSA-N 1 1 316.358 -1.719 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001372653231 920393590 /nfs/dbraw/zinc/39/35/90/920393590.db2.gz JSCLGENSUJVKOQ-SVDPJWKOSA-N 1 1 310.354 -1.488 20 0 DAADMO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)[nH]1 ZINC001372614556 920393636 /nfs/dbraw/zinc/39/36/36/920393636.db2.gz SNWOZRZBYNFJLN-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001372623491 920393686 /nfs/dbraw/zinc/39/36/86/920393686.db2.gz DFDPVNWUNRPETH-JFGNBEQYSA-N 1 1 323.397 -1.085 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001372632123 920393906 /nfs/dbraw/zinc/39/39/06/920393906.db2.gz ZZPUDTGIRDWJIA-LLVKDONJSA-N 1 1 319.365 -1.354 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC001372643195 920395727 /nfs/dbraw/zinc/39/57/27/920395727.db2.gz WVXVSSVDOBVKKD-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001372617363 920395974 /nfs/dbraw/zinc/39/59/74/920395974.db2.gz MCNXZOOURJVGTN-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001372654117 920396158 /nfs/dbraw/zinc/39/61/58/920396158.db2.gz RAIZCYGJGGYIKO-PWSUYJOCSA-N 1 1 323.397 -1.368 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001372617589 920396485 /nfs/dbraw/zinc/39/64/85/920396485.db2.gz NDOYOAXNZCVJTL-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372676532 920397592 /nfs/dbraw/zinc/39/75/92/920397592.db2.gz LCEBPIMCJQPXJC-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)CC(=O)NC(N)=O ZINC001372676532 920397609 /nfs/dbraw/zinc/39/76/09/920397609.db2.gz LCEBPIMCJQPXJC-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001372671777 920399716 /nfs/dbraw/zinc/39/97/16/920399716.db2.gz ZXPPZAPGJYPGMD-IUCAKERBSA-N 1 1 324.341 -1.035 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001372666811 920399851 /nfs/dbraw/zinc/39/98/51/920399851.db2.gz OBALIYFAZQOGNQ-VHSXEESVSA-N 1 1 323.357 -1.700 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001372691713 920400133 /nfs/dbraw/zinc/40/01/33/920400133.db2.gz QJWMSMFXURACKU-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO COCCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001372691713 920400149 /nfs/dbraw/zinc/40/01/49/920400149.db2.gz QJWMSMFXURACKU-CZXHOFHRSA-N 1 1 311.382 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001372664972 920400333 /nfs/dbraw/zinc/40/03/33/920400333.db2.gz FBGIUEHWWLRQEO-VIFPVBQESA-N 1 1 323.357 -1.759 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001372711360 920402774 /nfs/dbraw/zinc/40/27/74/920402774.db2.gz FUZSISFFDIQMDQ-MEWQQHAOSA-N 1 1 323.397 -1.560 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001372733881 920405281 /nfs/dbraw/zinc/40/52/81/920405281.db2.gz IZFKIGVFECAAJF-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CCC[N@H+](CCNC(=O)c1cnn(C)n1)CC(=O)NC(N)=O ZINC001372736108 920406082 /nfs/dbraw/zinc/40/60/82/920406082.db2.gz YUHMFFYAJGADRB-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1cnn(C)n1)CC(=O)NC(N)=O ZINC001372736108 920406089 /nfs/dbraw/zinc/40/60/89/920406089.db2.gz YUHMFFYAJGADRB-UHFFFAOYSA-N 1 1 311.346 -1.548 20 0 DAADMO CN1CC[C@H]([N@H+](CCNC(=O)[C@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799745 920413326 /nfs/dbraw/zinc/41/33/26/920413326.db2.gz JADNCNQMKRJUCB-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@H]([N@@H+](CCNC(=O)[C@H]2COC(=O)N2)C2CC2)C1=O ZINC001372799745 920413336 /nfs/dbraw/zinc/41/33/36/920413336.db2.gz JADNCNQMKRJUCB-MNOVXSKESA-N 1 1 310.354 -1.094 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001372793969 920414294 /nfs/dbraw/zinc/41/42/94/920414294.db2.gz PGFZFZVCEBXXFB-CYBMUJFWSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)C1 ZINC001372793969 920414305 /nfs/dbraw/zinc/41/43/05/920414305.db2.gz PGFZFZVCEBXXFB-CYBMUJFWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001372791277 920414482 /nfs/dbraw/zinc/41/44/82/920414482.db2.gz FLLXRQGZUWWGLG-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001372791277 920414491 /nfs/dbraw/zinc/41/44/91/920414491.db2.gz FLLXRQGZUWWGLG-VHSXEESVSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812164 920416166 /nfs/dbraw/zinc/41/61/66/920416166.db2.gz APAKFKOSJUPZNU-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1c[nH]cn1 ZINC001372812164 920416172 /nfs/dbraw/zinc/41/61/72/920416172.db2.gz APAKFKOSJUPZNU-JQWIXIFHSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813360 920416292 /nfs/dbraw/zinc/41/62/92/920416292.db2.gz BYPQCGDIVGEILJ-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccn(C)n1 ZINC001372813360 920416300 /nfs/dbraw/zinc/41/63/00/920416300.db2.gz BYPQCGDIVGEILJ-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001372811775 920416558 /nfs/dbraw/zinc/41/65/58/920416558.db2.gz DORGZBBXRREAPZ-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001372811775 920416567 /nfs/dbraw/zinc/41/65/67/920416567.db2.gz DORGZBBXRREAPZ-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818299 920416982 /nfs/dbraw/zinc/41/69/82/920416982.db2.gz JBKJMKAYKYBKHH-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cccn1 ZINC001372818299 920416993 /nfs/dbraw/zinc/41/69/93/920416993.db2.gz JBKJMKAYKYBKHH-RYUDHWBXSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822889 920419035 /nfs/dbraw/zinc/41/90/35/920419035.db2.gz QAHBELBWIJGPIY-RKDXNWHRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822889 920419043 /nfs/dbraw/zinc/41/90/43/920419043.db2.gz QAHBELBWIJGPIY-RKDXNWHRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822886 920420639 /nfs/dbraw/zinc/42/06/39/920420639.db2.gz QAHBELBWIJGPIY-BDAKNGLRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nnn(C)n1 ZINC001372822886 920420649 /nfs/dbraw/zinc/42/06/49/920420649.db2.gz QAHBELBWIJGPIY-BDAKNGLRSA-N 1 1 311.346 -2.225 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001372831200 920420728 /nfs/dbraw/zinc/42/07/28/920420728.db2.gz MYHUSPHCVARRLI-KOLCDFICSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)c1cnn(C)c1N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001372831200 920420740 /nfs/dbraw/zinc/42/07/40/920420740.db2.gz MYHUSPHCVARRLI-KOLCDFICSA-N 1 1 324.385 -1.433 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001372855786 920425699 /nfs/dbraw/zinc/42/56/99/920425699.db2.gz BASNWHLMFHXMDS-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001372855786 920425703 /nfs/dbraw/zinc/42/57/03/920425703.db2.gz BASNWHLMFHXMDS-LLVKDONJSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)N1CCC1 ZINC001372869807 920428519 /nfs/dbraw/zinc/42/85/19/920428519.db2.gz YIKLSPURKOVLKU-NSHDSACASA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1)N1CCC1 ZINC001372869807 920428531 /nfs/dbraw/zinc/42/85/31/920428531.db2.gz YIKLSPURKOVLKU-NSHDSACASA-N 1 1 309.370 -1.519 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)CN1CN=NC1=O ZINC001372908065 920433160 /nfs/dbraw/zinc/43/31/60/920433160.db2.gz MGEAZXFZXCXHQR-JTQLQIEISA-N 1 1 312.374 -1.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001372911932 920433710 /nfs/dbraw/zinc/43/37/10/920433710.db2.gz STVKEAHNSZWTKL-KOLCDFICSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001372911932 920433712 /nfs/dbraw/zinc/43/37/12/920433712.db2.gz STVKEAHNSZWTKL-KOLCDFICSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001372954257 920441247 /nfs/dbraw/zinc/44/12/47/920441247.db2.gz GFLMUNSUUJWAGN-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001372954261 920442726 /nfs/dbraw/zinc/44/27/26/920442726.db2.gz GFLMUNSUUJWAGN-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373019825 920450878 /nfs/dbraw/zinc/45/08/78/920450878.db2.gz RPKXFDVFPGTUSG-SCZZXKLOSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373019825 920450891 /nfs/dbraw/zinc/45/08/91/920450891.db2.gz RPKXFDVFPGTUSG-SCZZXKLOSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373019828 920451069 /nfs/dbraw/zinc/45/10/69/920451069.db2.gz RPKXFDVFPGTUSG-WCBMZHEXSA-N 1 1 310.358 -1.322 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373019828 920451083 /nfs/dbraw/zinc/45/10/83/920451083.db2.gz RPKXFDVFPGTUSG-WCBMZHEXSA-N 1 1 310.358 -1.322 20 0 DAADMO C[C@@H](CNC(=O)CCn1cnnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001373055029 920453317 /nfs/dbraw/zinc/45/33/17/920453317.db2.gz OBRLLEAVUPIFBR-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001373033892 920453706 /nfs/dbraw/zinc/45/37/06/920453706.db2.gz RVDKWEPKGDVXQV-OPRDCNLKSA-N 1 1 309.374 -1.215 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093941 920458280 /nfs/dbraw/zinc/45/82/80/920458280.db2.gz AXVJNLIMDILRBG-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)Cn2cncn2)C1 ZINC001373093941 920458295 /nfs/dbraw/zinc/45/82/95/920458295.db2.gz AXVJNLIMDILRBG-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[NH+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373221770 920465704 /nfs/dbraw/zinc/46/57/04/920465704.db2.gz FNKOYADYYGOZSJ-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO COCC[N@H+]1CC[C@H](CCNC(=O)CN2CCNC(=O)C2)C1 ZINC001373208735 920466129 /nfs/dbraw/zinc/46/61/29/920466129.db2.gz MWXDKTANIGHYSP-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2cn[nH]n2)C1 ZINC001373198149 920466167 /nfs/dbraw/zinc/46/61/67/920466167.db2.gz WMBHLTVBVJPFHB-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001373198149 920466173 /nfs/dbraw/zinc/46/61/73/920466173.db2.gz WMBHLTVBVJPFHB-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001373198149 920466176 /nfs/dbraw/zinc/46/61/76/920466176.db2.gz WMBHLTVBVJPFHB-SECBINFHSA-N 1 1 323.357 -1.298 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001373259021 920468455 /nfs/dbraw/zinc/46/84/55/920468455.db2.gz OVARFMJVIPBQBM-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CNC(N)=O ZINC001373259021 920468462 /nfs/dbraw/zinc/46/84/62/920468462.db2.gz OVARFMJVIPBQBM-ZJUUUORDSA-N 1 1 315.374 -2.004 20 0 DAADMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001373247307 920468531 /nfs/dbraw/zinc/46/85/31/920468531.db2.gz PMALROYZILTPCG-JTQLQIEISA-N 1 1 310.354 -1.080 20 0 DAADMO CN(CCN1CCN(CC(N)=O)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001373251971 920470270 /nfs/dbraw/zinc/47/02/70/920470270.db2.gz SDGWRZCCEBYVMI-ZDUSSCGKSA-N 1 1 311.430 -1.358 20 0 DAADMO COCCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001373271942 920471462 /nfs/dbraw/zinc/47/14/62/920471462.db2.gz JUYVAXMOFXPESN-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373277823 920472629 /nfs/dbraw/zinc/47/26/29/920472629.db2.gz BUEQMMRHZZJPAG-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001373280242 920472658 /nfs/dbraw/zinc/47/26/58/920472658.db2.gz BXDXPODRDZJIQT-QWRGUYRKSA-N 1 1 312.370 -1.037 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCO)C2)CC1=O ZINC001373287602 920473445 /nfs/dbraw/zinc/47/34/45/920473445.db2.gz JSQSHCZIFZSQEU-CYBMUJFWSA-N 1 1 312.414 -1.467 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H](C[N@@H+](C)CC(N)=O)C2)c1=O ZINC001373290241 920473516 /nfs/dbraw/zinc/47/35/16/920473516.db2.gz NWLUDFCZEYRPSI-LLVKDONJSA-N 1 1 324.385 -1.763 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001373295612 920473957 /nfs/dbraw/zinc/47/39/57/920473957.db2.gz WJSDKOGKZXCVSM-QWRGUYRKSA-N 1 1 312.374 -1.389 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001373280236 920474005 /nfs/dbraw/zinc/47/40/05/920474005.db2.gz BXDXPODRDZJIQT-GHMZBOCLSA-N 1 1 312.370 -1.037 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001373313768 920476230 /nfs/dbraw/zinc/47/62/30/920476230.db2.gz NQGXNJCOBXRAKY-ZJUUUORDSA-N 1 1 320.415 -1.810 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001373305285 920476395 /nfs/dbraw/zinc/47/63/95/920476395.db2.gz UNLFBJMDMHCRJF-SECBINFHSA-N 1 1 307.354 -1.007 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001373313764 920476545 /nfs/dbraw/zinc/47/65/45/920476545.db2.gz NQGXNJCOBXRAKY-VHSXEESVSA-N 1 1 320.415 -1.810 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)CCCO)C1 ZINC001373310465 920477104 /nfs/dbraw/zinc/47/71/04/920477104.db2.gz IDYWEPBJJZYWQF-LLVKDONJSA-N 1 1 307.416 -1.302 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001373389325 920483898 /nfs/dbraw/zinc/48/38/98/920483898.db2.gz VDJOEYDQDWJVGH-AVGNSLFASA-N 1 1 302.371 -1.010 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CCn1cncn1 ZINC001373387936 920484045 /nfs/dbraw/zinc/48/40/45/920484045.db2.gz GJDDAZWUJVLMHD-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CCn1cncn1 ZINC001373387936 920484057 /nfs/dbraw/zinc/48/40/57/920484057.db2.gz GJDDAZWUJVLMHD-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001373375760 920484685 /nfs/dbraw/zinc/48/46/85/920484685.db2.gz JJADPJPOVYGNSB-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1nnc[nH]1 ZINC001373388498 920485882 /nfs/dbraw/zinc/48/58/82/920485882.db2.gz JNRKABOYWCKSEU-JTQLQIEISA-N 1 1 310.358 -1.748 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1nnc[nH]1 ZINC001373388498 920485891 /nfs/dbraw/zinc/48/58/91/920485891.db2.gz JNRKABOYWCKSEU-JTQLQIEISA-N 1 1 310.358 -1.748 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001373407468 920488112 /nfs/dbraw/zinc/48/81/12/920488112.db2.gz ORNUZKKEUMQDGE-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@H](C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001373407468 920488126 /nfs/dbraw/zinc/48/81/26/920488126.db2.gz ORNUZKKEUMQDGE-NEPJUHHUSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001373395422 920489748 /nfs/dbraw/zinc/48/97/48/920489748.db2.gz PTHHTRAVSSOHLE-GARJFASQSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001373395422 920489757 /nfs/dbraw/zinc/48/97/57/920489757.db2.gz PTHHTRAVSSOHLE-GARJFASQSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373422369 920491118 /nfs/dbraw/zinc/49/11/18/920491118.db2.gz GUFKOMJABLCLRQ-PSASIEDQSA-N 1 1 313.358 -2.299 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373422369 920491128 /nfs/dbraw/zinc/49/11/28/920491128.db2.gz GUFKOMJABLCLRQ-PSASIEDQSA-N 1 1 313.358 -2.299 20 0 DAADMO CCn1ncc(C(=O)NCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001373428328 920493515 /nfs/dbraw/zinc/49/35/15/920493515.db2.gz UHQAJEAPSQBWMS-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO CCn1ncc(C(=O)NCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001373428328 920493522 /nfs/dbraw/zinc/49/35/22/920493522.db2.gz UHQAJEAPSQBWMS-GFCCVEGCSA-N 1 1 324.385 -1.183 20 0 DAADMO NC(=O)NC(=O)CN1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001373433139 920495965 /nfs/dbraw/zinc/49/59/65/920495965.db2.gz HCKRSOYRGDMYJY-RYUDHWBXSA-N 1 1 323.397 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001373445185 920500386 /nfs/dbraw/zinc/50/03/86/920500386.db2.gz KEHOLWRQCHRXFP-SECBINFHSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001373459091 920502347 /nfs/dbraw/zinc/50/23/47/920502347.db2.gz BHWAVZPSTXPHIX-SNVBAGLBSA-N 1 1 322.431 -1.656 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(=O)n(C)cn1 ZINC001373453450 920502523 /nfs/dbraw/zinc/50/25/23/920502523.db2.gz DGQYCDZGAKCLJY-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001373462346 920502844 /nfs/dbraw/zinc/50/28/44/920502844.db2.gz LRZFZTGFWJKZBU-ZJUUUORDSA-N 1 1 307.416 -1.115 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373455967 920503089 /nfs/dbraw/zinc/50/30/89/920503089.db2.gz TWNCCJUCKGNJPJ-GFCCVEGCSA-N 1 1 310.398 -1.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001373464239 920504938 /nfs/dbraw/zinc/50/49/38/920504938.db2.gz LSAJXRQDNQKEMW-UHFFFAOYSA-N 1 1 306.330 -1.547 20 0 DAADMO CC(C)C[NH+]1CC(NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001373472210 920506187 /nfs/dbraw/zinc/50/61/87/920506187.db2.gz ZDRWGFIVNNEHMD-JTQLQIEISA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001373510803 920512741 /nfs/dbraw/zinc/51/27/41/920512741.db2.gz ASPHMRFDYCCFMB-JTQLQIEISA-N 1 1 312.370 -1.972 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001373534512 920516149 /nfs/dbraw/zinc/51/61/49/920516149.db2.gz DNZYPEGVGFASPZ-RKDXNWHRSA-N 1 1 320.415 -1.893 20 0 DAADMO CCN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001373532942 920517028 /nfs/dbraw/zinc/51/70/28/920517028.db2.gz ZLVDDMHPKROVTK-LBPRGKRZSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCNS(C)(=O)=O)C1 ZINC001373530346 920517527 /nfs/dbraw/zinc/51/75/27/920517527.db2.gz QYYMYGXRVDBJMA-GFCCVEGCSA-N 1 1 318.443 -1.322 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001373540601 920518252 /nfs/dbraw/zinc/51/82/52/920518252.db2.gz XIFGTYPGXJLYNQ-LLVKDONJSA-N 1 1 322.413 -1.002 20 0 DAADMO Cn1cnn(CC(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)c1=O ZINC001373519148 920518577 /nfs/dbraw/zinc/51/85/77/920518577.db2.gz LDEROHJXYUERTC-LLVKDONJSA-N 1 1 322.369 -2.092 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001373549105 920520666 /nfs/dbraw/zinc/52/06/66/920520666.db2.gz FIAVSRHJUOZCOC-JTQLQIEISA-N 1 1 311.386 -1.429 20 0 DAADMO CN(CCNC(=O)Cc1cncn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001373571731 920526627 /nfs/dbraw/zinc/52/66/27/920526627.db2.gz BBCSSTNKPFEJJH-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)Cc1cncn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001373571731 920526643 /nfs/dbraw/zinc/52/66/43/920526643.db2.gz BBCSSTNKPFEJJH-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)CNC(C)=O ZINC001373570150 920528503 /nfs/dbraw/zinc/52/85/03/920528503.db2.gz ZNMOFFKVUBFINZ-RYUDHWBXSA-N 1 1 312.370 -1.830 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC001373596288 920531363 /nfs/dbraw/zinc/53/13/63/920531363.db2.gz RIWQUVCHPRJCJV-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC001373596288 920531377 /nfs/dbraw/zinc/53/13/77/920531377.db2.gz RIWQUVCHPRJCJV-KOLCDFICSA-N 1 1 311.386 -1.227 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001373601316 920531490 /nfs/dbraw/zinc/53/14/90/920531490.db2.gz OLZNIQYCEDQKPA-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001373601316 920531505 /nfs/dbraw/zinc/53/15/05/920531505.db2.gz OLZNIQYCEDQKPA-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001373594806 920531762 /nfs/dbraw/zinc/53/17/62/920531762.db2.gz CBLBBWJKKARTNN-MELADBBJSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001373607900 920534923 /nfs/dbraw/zinc/53/49/23/920534923.db2.gz ZYNKHBKDQIINPE-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001373607900 920534936 /nfs/dbraw/zinc/53/49/36/920534936.db2.gz ZYNKHBKDQIINPE-QWRGUYRKSA-N 1 1 324.385 -1.214 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001373602606 920534993 /nfs/dbraw/zinc/53/49/93/920534993.db2.gz IIWQNXPPFOJCEA-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373610169 920535126 /nfs/dbraw/zinc/53/51/26/920535126.db2.gz OUQAKMGZHMFREJ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001373610169 920535135 /nfs/dbraw/zinc/53/51/35/920535135.db2.gz OUQAKMGZHMFREJ-PWSUYJOCSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001373624291 920536623 /nfs/dbraw/zinc/53/66/23/920536623.db2.gz BADCFPABXOVAEY-PSASIEDQSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001373624291 920536636 /nfs/dbraw/zinc/53/66/36/920536636.db2.gz BADCFPABXOVAEY-PSASIEDQSA-N 1 1 308.342 -1.274 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001373625030 920538355 /nfs/dbraw/zinc/53/83/55/920538355.db2.gz ZCHYLFCZVQCOQN-MWLCHTKSSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001373625030 920538368 /nfs/dbraw/zinc/53/83/68/920538368.db2.gz ZCHYLFCZVQCOQN-MWLCHTKSSA-N 1 1 322.369 -1.264 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373631437 920541463 /nfs/dbraw/zinc/54/14/63/920541463.db2.gz YGCMIXWUWZODIW-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373631437 920541475 /nfs/dbraw/zinc/54/14/75/920541475.db2.gz YGCMIXWUWZODIW-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001373634091 920542817 /nfs/dbraw/zinc/54/28/17/920542817.db2.gz CAGXTTFJDWALDR-VHSXEESVSA-N 1 1 308.404 -1.734 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001373645338 920544648 /nfs/dbraw/zinc/54/46/48/920544648.db2.gz GTTHXVKPTNYJEG-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001373647358 920544973 /nfs/dbraw/zinc/54/49/73/920544973.db2.gz WZLZXMPLRXAQLK-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001373651357 920545412 /nfs/dbraw/zinc/54/54/12/920545412.db2.gz HOWXOTWKVWKDPL-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001373651357 920545428 /nfs/dbraw/zinc/54/54/28/920545428.db2.gz HOWXOTWKVWKDPL-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001373648160 920546474 /nfs/dbraw/zinc/54/64/74/920546474.db2.gz WPEBIXMXHWJOQX-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001373648160 920546483 /nfs/dbraw/zinc/54/64/83/920546483.db2.gz WPEBIXMXHWJOQX-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001373669844 920548141 /nfs/dbraw/zinc/54/81/41/920548141.db2.gz CXUJLWZJBAHXSG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001373669844 920548149 /nfs/dbraw/zinc/54/81/49/920548149.db2.gz CXUJLWZJBAHXSG-SNVBAGLBSA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001373680121 920549318 /nfs/dbraw/zinc/54/93/18/920549318.db2.gz BXDDCZIUVHJHEN-SNVBAGLBSA-N 1 1 316.387 -1.982 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001373680121 920549333 /nfs/dbraw/zinc/54/93/33/920549333.db2.gz BXDDCZIUVHJHEN-SNVBAGLBSA-N 1 1 316.387 -1.982 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373671966 920550027 /nfs/dbraw/zinc/55/00/27/920550027.db2.gz IYRBOMNSQIIHRI-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373671966 920550039 /nfs/dbraw/zinc/55/00/39/920550039.db2.gz IYRBOMNSQIIHRI-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001373701464 920551598 /nfs/dbraw/zinc/55/15/98/920551598.db2.gz FMBFIFKPQHJWAY-SDDRHHMPSA-N 1 1 316.402 -1.027 20 0 DAADMO CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001373707971 920552511 /nfs/dbraw/zinc/55/25/11/920552511.db2.gz KUXBBBLWUKOECN-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001373705667 920553095 /nfs/dbraw/zinc/55/30/95/920553095.db2.gz SQRWPRYCKADANB-LBPRGKRZSA-N 1 1 319.373 -1.112 20 0 DAADMO CCN(C(=O)CCNC(=O)NC)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001373711675 920553854 /nfs/dbraw/zinc/55/38/54/920553854.db2.gz WGAOOYPQCXVQOP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C(=O)CCNC(=O)NC)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001373711675 920553863 /nfs/dbraw/zinc/55/38/63/920553863.db2.gz WGAOOYPQCXVQOP-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001373736749 920556580 /nfs/dbraw/zinc/55/65/80/920556580.db2.gz AETOLWLYKINBGR-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001373736749 920556593 /nfs/dbraw/zinc/55/65/93/920556593.db2.gz AETOLWLYKINBGR-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001373757627 920557654 /nfs/dbraw/zinc/55/76/54/920557654.db2.gz CAHDJHMSQXOHTJ-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cn(CC)nn1 ZINC001373754715 920559941 /nfs/dbraw/zinc/55/99/41/920559941.db2.gz RWAUFWVXHUDGRS-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C)NC(N)=O ZINC001373961833 920573070 /nfs/dbraw/zinc/57/30/70/920573070.db2.gz SKICUOXLCHPPIP-VHSXEESVSA-N 1 1 324.389 -1.262 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004874 920576284 /nfs/dbraw/zinc/57/62/84/920576284.db2.gz LKUMQABFJAXVSK-UWVGGRQHSA-N 1 1 312.374 -1.317 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001374004874 920576297 /nfs/dbraw/zinc/57/62/97/920576297.db2.gz LKUMQABFJAXVSK-UWVGGRQHSA-N 1 1 312.374 -1.317 20 0 DAADMO C[C@H](CNC(=O)CN1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001374058658 920580806 /nfs/dbraw/zinc/58/08/06/920580806.db2.gz YREXGCGAUCHPJL-JTQLQIEISA-N 1 1 324.389 -2.516 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1nnn(C)n1 ZINC001374105644 920582975 /nfs/dbraw/zinc/58/29/75/920582975.db2.gz KWNFTKAGDIKWHF-LLVKDONJSA-N 1 1 319.369 -1.086 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374129767 920584324 /nfs/dbraw/zinc/58/43/24/920584324.db2.gz OZULGGMNXNPTEN-STQMWFEESA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CO[C@H]1CCOC1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374129767 920584342 /nfs/dbraw/zinc/58/43/42/920584342.db2.gz OZULGGMNXNPTEN-STQMWFEESA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374129765 920585542 /nfs/dbraw/zinc/58/55/42/920585542.db2.gz OZULGGMNXNPTEN-OLZOCXBDSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374129765 920585551 /nfs/dbraw/zinc/58/55/51/920585551.db2.gz OZULGGMNXNPTEN-OLZOCXBDSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCO1 ZINC001374132082 920585780 /nfs/dbraw/zinc/58/57/80/920585780.db2.gz ZZVCZSAVDJKACG-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374130846 920585819 /nfs/dbraw/zinc/58/58/19/920585819.db2.gz VMCPEDUQINEJOT-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374130846 920585830 /nfs/dbraw/zinc/58/58/30/920585830.db2.gz VMCPEDUQINEJOT-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374130847 920585897 /nfs/dbraw/zinc/58/58/97/920585897.db2.gz VMCPEDUQINEJOT-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374130847 920585907 /nfs/dbraw/zinc/58/59/07/920585907.db2.gz VMCPEDUQINEJOT-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001374137168 920589853 /nfs/dbraw/zinc/58/98/53/920589853.db2.gz VIVPHJZBTOGXCP-MNOVXSKESA-N 1 1 300.359 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001374137168 920589862 /nfs/dbraw/zinc/58/98/62/920589862.db2.gz VIVPHJZBTOGXCP-MNOVXSKESA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001374136078 920590783 /nfs/dbraw/zinc/59/07/83/920590783.db2.gz NYORXMCYWXCXRR-LLVKDONJSA-N 1 1 322.431 -1.392 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001374136078 920590792 /nfs/dbraw/zinc/59/07/92/920590792.db2.gz NYORXMCYWXCXRR-LLVKDONJSA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001374247447 920595157 /nfs/dbraw/zinc/59/51/57/920595157.db2.gz WBEIZPSZMPOFCL-MRVPVSSYSA-N 1 1 306.330 -1.044 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001374226475 920596262 /nfs/dbraw/zinc/59/62/62/920596262.db2.gz FIYRIISVDMOYNU-SECBINFHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374272585 920598208 /nfs/dbraw/zinc/59/82/08/920598208.db2.gz XRTQZZJGHMAAEU-GXSJLCMTSA-N 1 1 309.374 -1.225 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001374331055 920601098 /nfs/dbraw/zinc/60/10/98/920601098.db2.gz ZGOIFKGDHRXYRY-VIFPVBQESA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374334186 920601483 /nfs/dbraw/zinc/60/14/83/920601483.db2.gz YSQSCRLOGONRFX-UWVGGRQHSA-N 1 1 324.389 -1.310 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001374324160 920602173 /nfs/dbraw/zinc/60/21/73/920602173.db2.gz FEZPXOGVYWSZPB-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1nnnn1C ZINC001374429139 920603879 /nfs/dbraw/zinc/60/38/79/920603879.db2.gz HXSHQUCJQFUUSP-VHSXEESVSA-N 1 1 311.390 -1.048 20 0 DAADMO CC(C)[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001374408044 920604257 /nfs/dbraw/zinc/60/42/57/920604257.db2.gz BTQGNPPDTJXPCP-VIFPVBQESA-N 1 1 318.403 -1.515 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cnsn1 ZINC001374467476 920604900 /nfs/dbraw/zinc/60/49/00/920604900.db2.gz ITGJGPMGYKBMQO-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnsn1 ZINC001374467476 920604915 /nfs/dbraw/zinc/60/49/15/920604915.db2.gz ITGJGPMGYKBMQO-UHFFFAOYSA-N 1 1 314.371 -1.003 20 0 DAADMO CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001374408042 920605295 /nfs/dbraw/zinc/60/52/95/920605295.db2.gz BTQGNPPDTJXPCP-SECBINFHSA-N 1 1 318.403 -1.515 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001374471401 920605667 /nfs/dbraw/zinc/60/56/67/920605667.db2.gz QYVQWXIABTZMPU-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001374471401 920605676 /nfs/dbraw/zinc/60/56/76/920605676.db2.gz QYVQWXIABTZMPU-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001374469764 920605806 /nfs/dbraw/zinc/60/58/06/920605806.db2.gz JEMPKEHQFCBFNL-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1cnn(C)c1 ZINC001374469764 920605812 /nfs/dbraw/zinc/60/58/12/920605812.db2.gz JEMPKEHQFCBFNL-SNVBAGLBSA-N 1 1 324.385 -1.064 20 0 DAADMO COCC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001374501896 920606976 /nfs/dbraw/zinc/60/69/76/920606976.db2.gz JDPONLQHTOWYOW-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001374501896 920606988 /nfs/dbraw/zinc/60/69/88/920606988.db2.gz JDPONLQHTOWYOW-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001374506869 920607062 /nfs/dbraw/zinc/60/70/62/920607062.db2.gz ZNDDMDODFKVFEI-ZJUUUORDSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001374506869 920607074 /nfs/dbraw/zinc/60/70/74/920607074.db2.gz ZNDDMDODFKVFEI-ZJUUUORDSA-N 1 1 324.385 -1.190 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001374512044 920607316 /nfs/dbraw/zinc/60/73/16/920607316.db2.gz DVQFAYBFAYGVBV-VIFPVBQESA-N 1 1 311.342 -1.787 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001374512044 920607332 /nfs/dbraw/zinc/60/73/32/920607332.db2.gz DVQFAYBFAYGVBV-VIFPVBQESA-N 1 1 311.342 -1.787 20 0 DAADMO CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374479677 920607621 /nfs/dbraw/zinc/60/76/21/920607621.db2.gz OTSPOGUBULGMSK-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374479677 920607633 /nfs/dbraw/zinc/60/76/33/920607633.db2.gz OTSPOGUBULGMSK-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001374491233 920607669 /nfs/dbraw/zinc/60/76/69/920607669.db2.gz XYMJDUSVMPIVDN-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001374491233 920607679 /nfs/dbraw/zinc/60/76/79/920607679.db2.gz XYMJDUSVMPIVDN-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001374480627 920607931 /nfs/dbraw/zinc/60/79/31/920607931.db2.gz USTLQJCYLKKIGF-QWHCGFSZSA-N 1 1 303.403 -1.286 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001374485317 920608475 /nfs/dbraw/zinc/60/84/75/920608475.db2.gz SORLBDQRLHXHKH-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001374480629 920609769 /nfs/dbraw/zinc/60/97/69/920609769.db2.gz USTLQJCYLKKIGF-STQMWFEESA-N 1 1 303.403 -1.286 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374537395 920611067 /nfs/dbraw/zinc/61/10/67/920611067.db2.gz RPURVKIEEGLTLG-XQQFMLRXSA-N 1 1 323.397 -1.244 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CC(=O)NC(N)=O)C1 ZINC001374535405 920612564 /nfs/dbraw/zinc/61/25/64/920612564.db2.gz FIKCLMZXRSPUPM-LLVKDONJSA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374520491 920613701 /nfs/dbraw/zinc/61/37/01/920613701.db2.gz NUNNQZPZSAJDAK-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374520491 920613715 /nfs/dbraw/zinc/61/37/15/920613715.db2.gz NUNNQZPZSAJDAK-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374559769 920615660 /nfs/dbraw/zinc/61/56/60/920615660.db2.gz NRXGPQNIVAHBTJ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001374559769 920615666 /nfs/dbraw/zinc/61/56/66/920615666.db2.gz NRXGPQNIVAHBTJ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001374555664 920615988 /nfs/dbraw/zinc/61/59/88/920615988.db2.gz XXXGJRSQXWSTGC-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001374555664 920616002 /nfs/dbraw/zinc/61/60/02/920616002.db2.gz XXXGJRSQXWSTGC-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001374556589 920616176 /nfs/dbraw/zinc/61/61/76/920616176.db2.gz KPFOQVMGMULCEV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001374556589 920616184 /nfs/dbraw/zinc/61/61/84/920616184.db2.gz KPFOQVMGMULCEV-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001374558431 920616435 /nfs/dbraw/zinc/61/64/35/920616435.db2.gz QNWQDOJZIGSCOU-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001374558431 920616443 /nfs/dbraw/zinc/61/64/43/920616443.db2.gz QNWQDOJZIGSCOU-VIFPVBQESA-N 1 1 322.369 -1.286 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn(C)c(=O)n1C ZINC001374558099 920616669 /nfs/dbraw/zinc/61/66/69/920616669.db2.gz TWGGLYDFHXOQQR-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cn(C)c(=O)n1C ZINC001374558099 920616684 /nfs/dbraw/zinc/61/66/84/920616684.db2.gz TWGGLYDFHXOQQR-LLVKDONJSA-N 1 1 323.397 -1.042 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@H+](C)CCF ZINC001374549046 920616816 /nfs/dbraw/zinc/61/68/16/920616816.db2.gz DMYGVHBKLWXPHK-SNVBAGLBSA-N 1 1 315.353 -1.463 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CCF ZINC001374549046 920616823 /nfs/dbraw/zinc/61/68/23/920616823.db2.gz DMYGVHBKLWXPHK-SNVBAGLBSA-N 1 1 315.353 -1.463 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnccn1)c1nnnn1C ZINC001374577375 920619417 /nfs/dbraw/zinc/61/94/17/920619417.db2.gz NJTRLRVPXWAHRB-IUCAKERBSA-N 1 1 306.330 -1.558 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1cccn1 ZINC001374578863 920620226 /nfs/dbraw/zinc/62/02/26/920620226.db2.gz CQFFJKSOMUWLDW-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cnccn1)c1nnnn1C ZINC001374577373 920620488 /nfs/dbraw/zinc/62/04/88/920620488.db2.gz NJTRLRVPXWAHRB-BDAKNGLRSA-N 1 1 306.330 -1.558 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001374583181 920622286 /nfs/dbraw/zinc/62/22/86/920622286.db2.gz JKCMXJDNYIUXMU-QMMMGPOBSA-N 1 1 307.397 -1.246 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)s1 ZINC001374588294 920626154 /nfs/dbraw/zinc/62/61/54/920626154.db2.gz DVEFTQRVRVZFEY-DTWKUNHWSA-N 1 1 313.383 -1.308 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)Cc2cnn(C)c2)[nH]1 ZINC001374590292 920628152 /nfs/dbraw/zinc/62/81/52/920628152.db2.gz KTLWGJHWJXJHCM-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccnn1C)c1nncn1C ZINC001374590082 920628292 /nfs/dbraw/zinc/62/82/92/920628292.db2.gz KJTNPLAYDZXRKE-ZJUUUORDSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2nnn(C)c2C)[nH]1 ZINC001374590471 920628468 /nfs/dbraw/zinc/62/84/68/920628468.db2.gz WEDRROYWNPOQHX-VIFPVBQESA-N 1 1 308.346 -1.569 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)c2C)[nH]1 ZINC001374590468 920628701 /nfs/dbraw/zinc/62/87/01/920628701.db2.gz WEDRROYWNPOQHX-SECBINFHSA-N 1 1 308.346 -1.569 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)cn2)n1 ZINC001374594738 920632142 /nfs/dbraw/zinc/63/21/42/920632142.db2.gz SGJDUIBOPDSUIP-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nccc(C)n2)C1 ZINC001374598442 920634808 /nfs/dbraw/zinc/63/48/08/920634808.db2.gz KIEURIXNXZFPMX-CYBMUJFWSA-N 1 1 321.381 -1.170 20 0 DAADMO CCn1nccc1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001374597214 920635032 /nfs/dbraw/zinc/63/50/32/920635032.db2.gz FADFKOGUWGVQQE-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CC2OCCCO2)n1 ZINC001374598297 920635638 /nfs/dbraw/zinc/63/56/38/920635638.db2.gz JGTIASCTODJNFV-NSHDSACASA-N 1 1 313.358 -1.465 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2nccc(C)n2)C1 ZINC001374598448 920635749 /nfs/dbraw/zinc/63/57/49/920635749.db2.gz KIEURIXNXZFPMX-ZDUSSCGKSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001374597931 920636569 /nfs/dbraw/zinc/63/65/69/920636569.db2.gz ZHCWZHITFVGJPS-RISCZKNCSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1ncnn1)c1ncccn1 ZINC001374602949 920638050 /nfs/dbraw/zinc/63/80/50/920638050.db2.gz HBHPRJAOHQYKCG-UWVGGRQHSA-N 1 1 306.330 -1.709 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H](O)C[NH2+]Cc1coc(C2CC2)n1 ZINC001374602860 920638138 /nfs/dbraw/zinc/63/81/38/920638138.db2.gz GWRJQQQSMNYXDQ-LLVKDONJSA-N 1 1 321.341 -1.195 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cn(C)nn2)CC[N@H+]1C ZINC001374604201 920639014 /nfs/dbraw/zinc/63/90/14/920639014.db2.gz KAPUOQNJPOCSAR-KGYLQXTDSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1)c1nncn1C ZINC001374602536 920639052 /nfs/dbraw/zinc/63/90/52/920639052.db2.gz SNUPMGKHGYGMQG-ZYHUDNBSSA-N 1 1 321.385 -1.081 20 0 DAADMO CCCn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001374606103 920640791 /nfs/dbraw/zinc/64/07/91/920640791.db2.gz AVGFALPJUDIQJP-JTQLQIEISA-N 1 1 322.373 -1.303 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)nc1 ZINC001374605122 920641395 /nfs/dbraw/zinc/64/13/95/920641395.db2.gz VTFVUFXEDOUABJ-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)s1 ZINC001374604793 920641448 /nfs/dbraw/zinc/64/14/48/920641448.db2.gz SMDLJONWOYNBLO-HTQZYQBOSA-N 1 1 315.355 -1.478 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CNC(=O)C2CC2)C1 ZINC001374606845 920642053 /nfs/dbraw/zinc/64/20/53/920642053.db2.gz IFXXXARAJQUOFS-GFCCVEGCSA-N 1 1 308.382 -1.066 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001374604518 920642346 /nfs/dbraw/zinc/64/23/46/920642346.db2.gz RZVIKLMEQMMGAQ-VIFPVBQESA-N 1 1 308.346 -1.693 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001374613266 920645568 /nfs/dbraw/zinc/64/55/68/920645568.db2.gz CZEULHABTNZQQL-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO CCc1nn(C)cc1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001374614975 920647038 /nfs/dbraw/zinc/64/70/38/920647038.db2.gz HZQZCDSDMIMHTL-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001374613566 920647655 /nfs/dbraw/zinc/64/76/55/920647655.db2.gz VAKQAJDRHAEZEN-JQWIXIFHSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)nn1 ZINC001374615581 920647688 /nfs/dbraw/zinc/64/76/88/920647688.db2.gz LECUWYCDXKXGAP-IJLUTSLNSA-N 1 1 319.369 -1.091 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001374613373 920648331 /nfs/dbraw/zinc/64/83/31/920648331.db2.gz ARNCZQXUSLDNDC-GFCCVEGCSA-N 1 1 321.385 -1.090 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N1CCC1 ZINC001374615327 920648502 /nfs/dbraw/zinc/64/85/02/920648502.db2.gz JTULWSJHNJZLKM-IJLUTSLNSA-N 1 1 321.381 -1.188 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn[nH]c(=O)c2)n1 ZINC001374614894 920648562 /nfs/dbraw/zinc/64/85/62/920648562.db2.gz HBNBUOFMGNVJMH-NSHDSACASA-N 1 1 321.341 -1.326 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCC(=O)NC2)nn1 ZINC001374616000 920651027 /nfs/dbraw/zinc/65/10/27/920651027.db2.gz PEFMROJDSROZDQ-CMPLNLGQSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)nn1 ZINC001374616007 920651285 /nfs/dbraw/zinc/65/12/85/920651285.db2.gz PEFMROJDSROZDQ-PWSUYJOCSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)CCNC(=O)C1 ZINC001374617476 920651867 /nfs/dbraw/zinc/65/18/67/920651867.db2.gz WJOHMQDNGADKHC-XHDPSFHLSA-N 1 1 321.381 -1.040 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001374623427 920653438 /nfs/dbraw/zinc/65/34/38/920653438.db2.gz VUDUNEJNXHBPLP-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CCNC(N)=O)C2)C1 ZINC001374623427 920653446 /nfs/dbraw/zinc/65/34/46/920653446.db2.gz VUDUNEJNXHBPLP-JTQLQIEISA-N 1 1 313.358 -2.298 20 0 DAADMO CCc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cnn1C ZINC001374623734 920657400 /nfs/dbraw/zinc/65/74/00/920657400.db2.gz LDSCPPHTMKXMAY-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001374623656 920657714 /nfs/dbraw/zinc/65/77/14/920657714.db2.gz XZERBLKQYBAIGM-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001374623656 920657724 /nfs/dbraw/zinc/65/77/24/920657724.db2.gz XZERBLKQYBAIGM-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001374628942 920659044 /nfs/dbraw/zinc/65/90/44/920659044.db2.gz MLYNPDXJIZSPOH-NSHDSACASA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1)c1ncccn1 ZINC001374633347 920662229 /nfs/dbraw/zinc/66/22/29/920662229.db2.gz NMXSGGFLTGABFY-BDAKNGLRSA-N 1 1 306.330 -1.558 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001374633187 920662589 /nfs/dbraw/zinc/66/25/89/920662589.db2.gz MWKCNSLJQULWIE-QWRGUYRKSA-N 1 1 322.369 -1.625 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001374647793 920671066 /nfs/dbraw/zinc/67/10/66/920671066.db2.gz CHMRWTWCUWGVOO-VXGBXAGGSA-N 1 1 312.374 -1.704 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]nn1)C(=O)N(C)C ZINC001374650555 920671526 /nfs/dbraw/zinc/67/15/26/920671526.db2.gz KIJZBYFASBDUQY-GXSJLCMTSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1cnn[nH]1)C(=O)N(C)C ZINC001374650555 920671543 /nfs/dbraw/zinc/67/15/43/920671543.db2.gz KIJZBYFASBDUQY-GXSJLCMTSA-N 1 1 312.374 -1.719 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001374648516 920671671 /nfs/dbraw/zinc/67/16/71/920671671.db2.gz DNCRMXOZBHWAHK-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO COc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001374651455 920672630 /nfs/dbraw/zinc/67/26/30/920672630.db2.gz NCQBQILPCYRDQS-SECBINFHSA-N 1 1 321.341 -1.208 20 0 DAADMO COc1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ncn[nH]2)c(C)n1 ZINC001374654867 920674203 /nfs/dbraw/zinc/67/42/03/920674203.db2.gz BKNQEAABQRPJTG-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO COc1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2nc[nH]n2)c(C)n1 ZINC001374654867 920674208 /nfs/dbraw/zinc/67/42/08/920674208.db2.gz BKNQEAABQRPJTG-SNVBAGLBSA-N 1 1 321.341 -1.208 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccnnc1 ZINC001374653985 920674816 /nfs/dbraw/zinc/67/48/16/920674816.db2.gz QUPSBCBHIWLGCX-NSHDSACASA-N 1 1 320.357 -1.246 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001374655784 920675123 /nfs/dbraw/zinc/67/51/23/920675123.db2.gz KLVDVAHZKNPJOU-BDAKNGLRSA-N 1 1 322.373 -1.063 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnc[nH]2)C1=O ZINC001374653344 920675632 /nfs/dbraw/zinc/67/56/32/920675632.db2.gz PXKQBYRYFDBWOV-NEPJUHHUSA-N 1 1 309.370 -1.360 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)[nH]1 ZINC001374655797 920675780 /nfs/dbraw/zinc/67/57/80/920675780.db2.gz KLVDVAHZKNPJOU-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001374654518 920675807 /nfs/dbraw/zinc/67/58/07/920675807.db2.gz VSFDTMNFUSTBBI-MNOVXSKESA-N 1 1 312.374 -1.704 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001374658918 920677339 /nfs/dbraw/zinc/67/73/39/920677339.db2.gz UBTHIYQXELRHMJ-OUAUKWLOSA-N 1 1 324.385 -1.717 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(CC)n2)nn1 ZINC001374657469 920677902 /nfs/dbraw/zinc/67/79/02/920677902.db2.gz JPPUMBYONOJUFI-LLVKDONJSA-N 1 1 322.373 -1.210 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001374661858 920678348 /nfs/dbraw/zinc/67/83/48/920678348.db2.gz LHVABFXLPVJQEE-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(CC)n2)nn1 ZINC001374657473 920678373 /nfs/dbraw/zinc/67/83/73/920678373.db2.gz JPPUMBYONOJUFI-NSHDSACASA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2ncccn2)nn1 ZINC001374658024 920679072 /nfs/dbraw/zinc/67/90/72/920679072.db2.gz LJEWOFPNOUAKFD-GFCCVEGCSA-N 1 1 319.369 -1.195 20 0 DAADMO O=C(Cc1ncc[nH]1)NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC001374663286 920680352 /nfs/dbraw/zinc/68/03/52/920680352.db2.gz ZILIKZGGKRFLNR-SNVBAGLBSA-N 1 1 320.357 -1.460 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)NC1CC1 ZINC001374665788 920680774 /nfs/dbraw/zinc/68/07/74/920680774.db2.gz HNGUCBFXXNTCEB-SCZZXKLOSA-N 1 1 310.358 -1.919 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)nn1 ZINC001374663605 920680987 /nfs/dbraw/zinc/68/09/87/920680987.db2.gz UCGOTWVPTOPMHQ-VIFPVBQESA-N 1 1 308.298 -1.251 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)NC1CC1 ZINC001374665787 920681360 /nfs/dbraw/zinc/68/13/60/920681360.db2.gz HNGUCBFXXNTCEB-PSASIEDQSA-N 1 1 310.358 -1.919 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374671923 920684941 /nfs/dbraw/zinc/68/49/41/920684941.db2.gz RBNCKQDWLTUTMS-QWRGUYRKSA-N 1 1 311.390 -1.881 20 0 DAADMO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001374668070 920685489 /nfs/dbraw/zinc/68/54/89/920685489.db2.gz YXDQDZPLCSHGLG-ONGXEEELSA-N 1 1 322.369 -1.129 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2cn(C)c(=O)n2C)nn1 ZINC001374672989 920687633 /nfs/dbraw/zinc/68/76/33/920687633.db2.gz ANLYJXZLNJFYNP-SNVBAGLBSA-N 1 1 323.357 -2.267 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)n1 ZINC001374677794 920687883 /nfs/dbraw/zinc/68/78/83/920687883.db2.gz GQEBXJDJTNDLGA-LLVKDONJSA-N 1 1 305.342 -1.357 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001374679640 920689677 /nfs/dbraw/zinc/68/96/77/920689677.db2.gz RCFIAQAYLNTFAW-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)n1 ZINC001374683979 920691158 /nfs/dbraw/zinc/69/11/58/920691158.db2.gz KNJASRAMLIBAIT-JTQLQIEISA-N 1 1 320.357 -1.378 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)Cn2cnnn2)C1)C1CCC1 ZINC001374678811 920691420 /nfs/dbraw/zinc/69/14/20/920691420.db2.gz DZYLQYIIRIAWOO-UHFFFAOYSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001374686089 920694455 /nfs/dbraw/zinc/69/44/55/920694455.db2.gz SBPUFPRMWTWNLB-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001374711877 920695930 /nfs/dbraw/zinc/69/59/30/920695930.db2.gz NTDWRJQASSJOHO-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001374729526 920699851 /nfs/dbraw/zinc/69/98/51/920699851.db2.gz JJFXZMKJRCMEKT-UHFFFAOYSA-N 1 1 317.411 -1.300 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001374762931 920704366 /nfs/dbraw/zinc/70/43/66/920704366.db2.gz HTHFWWUTJZRBGC-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001374752187 920704550 /nfs/dbraw/zinc/70/45/50/920704550.db2.gz RAFBXABXJMZUCV-BDAKNGLRSA-N 1 1 312.378 -1.266 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCCCC1=O ZINC001374779303 920706702 /nfs/dbraw/zinc/70/67/02/920706702.db2.gz CCDISJHWOVCVIK-SNVBAGLBSA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001374782861 920709859 /nfs/dbraw/zinc/70/98/59/920709859.db2.gz DEZVEQUMUHQILU-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001374782274 920710825 /nfs/dbraw/zinc/71/08/25/920710825.db2.gz QRBZMGRHLDKGSI-APPZFPTMSA-N 1 1 309.330 -1.289 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001374798846 920712501 /nfs/dbraw/zinc/71/25/01/920712501.db2.gz LTMVNNRGSYKFQH-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001374800364 920713060 /nfs/dbraw/zinc/71/30/60/920713060.db2.gz WWNXAEHGCJHYEX-SECBINFHSA-N 1 1 309.374 -1.861 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374817226 920715621 /nfs/dbraw/zinc/71/56/21/920715621.db2.gz YIXSDNUGHDMQEI-HLTSFMKQSA-N 1 1 323.357 -1.432 20 0 DAADMO Cc1ccn(CC(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)c(=O)c1 ZINC001374816365 920715678 /nfs/dbraw/zinc/71/56/78/920715678.db2.gz FTAJGZFZIDRQFQ-LLVKDONJSA-N 1 1 319.369 -1.025 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001374831108 920717121 /nfs/dbraw/zinc/71/71/21/920717121.db2.gz VAKKEBAOPYIIGR-NXEZZACHSA-N 1 1 324.389 -1.262 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001374842069 920717649 /nfs/dbraw/zinc/71/76/49/920717649.db2.gz FDYOBTAEUKMEEC-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CS(=O)(=O)N(C)C ZINC001374841405 920717753 /nfs/dbraw/zinc/71/77/53/920717753.db2.gz SUDZVGMSZLDMTL-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1CN(C(=O)CNC(=O)NC)C1 ZINC001374878502 920724550 /nfs/dbraw/zinc/72/45/50/920724550.db2.gz PPWJOMQQWGEJJE-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)c1cnn[nH]1 ZINC001374906564 920725591 /nfs/dbraw/zinc/72/55/91/920725591.db2.gz QWYCHJMHVQMSDL-UWVGGRQHSA-N 1 1 310.358 -1.335 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001374902690 920725640 /nfs/dbraw/zinc/72/56/40/920725640.db2.gz CSMFZSVTZHRHQX-JTQLQIEISA-N 1 1 324.389 -2.422 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CN=NC2=O)C1 ZINC001374910323 920728951 /nfs/dbraw/zinc/72/89/51/920728951.db2.gz NGPCDHNBIDHONP-UHFFFAOYSA-N 1 1 324.385 -1.100 20 0 DAADMO C[C@@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001374922706 920729940 /nfs/dbraw/zinc/72/99/40/920729940.db2.gz PKOYMXZGBZICAZ-UWVGGRQHSA-N 1 1 324.389 -2.203 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001374999249 920735651 /nfs/dbraw/zinc/73/56/51/920735651.db2.gz ASBAOOXJDMCFNF-SNVBAGLBSA-N 1 1 310.362 -1.865 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001375005808 920736347 /nfs/dbraw/zinc/73/63/47/920736347.db2.gz ZNFCUINIAPDNBC-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001375005808 920736359 /nfs/dbraw/zinc/73/63/59/920736359.db2.gz ZNFCUINIAPDNBC-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038962 920737780 /nfs/dbraw/zinc/73/77/80/920737780.db2.gz YQRXUXRRNBDNJB-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001375038962 920737797 /nfs/dbraw/zinc/73/77/97/920737797.db2.gz YQRXUXRRNBDNJB-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)n1 ZINC001375033538 920738728 /nfs/dbraw/zinc/73/87/28/920738728.db2.gz XSIDSORTSRFTKF-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n1 ZINC001375033538 920738743 /nfs/dbraw/zinc/73/87/43/920738743.db2.gz XSIDSORTSRFTKF-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033560 920738823 /nfs/dbraw/zinc/73/88/23/920738823.db2.gz YAYTXLYFBVFHDG-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnnn1C ZINC001375033560 920738838 /nfs/dbraw/zinc/73/88/38/920738838.db2.gz YAYTXLYFBVFHDG-YUMQZZPRSA-N 1 1 311.346 -1.551 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)Cn1ncnn1 ZINC001375035936 920739092 /nfs/dbraw/zinc/73/90/92/920739092.db2.gz HKURXVIXXSBKGB-VXGBXAGGSA-N 1 1 322.373 -1.633 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001375021298 920740289 /nfs/dbraw/zinc/74/02/89/920740289.db2.gz QJXAACNWKZHQFG-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001375021298 920740306 /nfs/dbraw/zinc/74/03/06/920740306.db2.gz QJXAACNWKZHQFG-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064389 920741963 /nfs/dbraw/zinc/74/19/63/920741963.db2.gz ZEBOIDHPIGWNDH-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001375064389 920741971 /nfs/dbraw/zinc/74/19/71/920741971.db2.gz ZEBOIDHPIGWNDH-GXSJLCMTSA-N 1 1 307.354 -1.281 20 0 DAADMO C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001375075930 920741987 /nfs/dbraw/zinc/74/19/87/920741987.db2.gz CMJOEDISGULBPI-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001375075930 920741994 /nfs/dbraw/zinc/74/19/94/920741994.db2.gz CMJOEDISGULBPI-ZJUUUORDSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040620 920742272 /nfs/dbraw/zinc/74/22/72/920742272.db2.gz VMCDNZSRGIQGDI-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001375040620 920742276 /nfs/dbraw/zinc/74/22/76/920742276.db2.gz VMCDNZSRGIQGDI-ZJUUUORDSA-N 1 1 324.385 -1.018 20 0 DAADMO C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001375075927 920743060 /nfs/dbraw/zinc/74/30/60/920743060.db2.gz CMJOEDISGULBPI-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001375075927 920743076 /nfs/dbraw/zinc/74/30/76/920743076.db2.gz CMJOEDISGULBPI-UWVGGRQHSA-N 1 1 321.399 -2.282 20 0 DAADMO C[C@H](C[N@H+](C)Cc1ccnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375068430 920743424 /nfs/dbraw/zinc/74/34/24/920743424.db2.gz IAYLDKCZPOBVOQ-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1ccnn1C)NC(=O)Cn1ncn(C)c1=O ZINC001375068430 920743437 /nfs/dbraw/zinc/74/34/37/920743437.db2.gz IAYLDKCZPOBVOQ-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001375055849 920743659 /nfs/dbraw/zinc/74/36/59/920743659.db2.gz PCNZBRPNHSAESB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001375055849 920743669 /nfs/dbraw/zinc/74/36/69/920743669.db2.gz PCNZBRPNHSAESB-VHSXEESVSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001375042390 920743726 /nfs/dbraw/zinc/74/37/26/920743726.db2.gz DMORJPWXANOZFF-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001375042390 920743737 /nfs/dbraw/zinc/74/37/37/920743737.db2.gz DMORJPWXANOZFF-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001375104147 920744857 /nfs/dbraw/zinc/74/48/57/920744857.db2.gz WMRSIISMCLEAAW-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001375104147 920744870 /nfs/dbraw/zinc/74/48/70/920744870.db2.gz WMRSIISMCLEAAW-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001375091043 920745009 /nfs/dbraw/zinc/74/50/09/920745009.db2.gz VLZGOQIURRRJJW-SSDOTTSWSA-N 1 1 311.346 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nnc1C ZINC001375091043 920745022 /nfs/dbraw/zinc/74/50/22/920745022.db2.gz VLZGOQIURRRJJW-SSDOTTSWSA-N 1 1 311.346 -1.381 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001375099457 920745127 /nfs/dbraw/zinc/74/51/27/920745127.db2.gz LPYSWJRSPYGCRS-ONGXEEELSA-N 1 1 311.386 -1.370 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001375115547 920745345 /nfs/dbraw/zinc/74/53/45/920745345.db2.gz BBOHROTWUJDSCH-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001375115547 920745359 /nfs/dbraw/zinc/74/53/59/920745359.db2.gz BBOHROTWUJDSCH-SNVBAGLBSA-N 1 1 311.390 -1.021 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)CN1CCNC(=O)C1 ZINC001375091227 920746124 /nfs/dbraw/zinc/74/61/24/920746124.db2.gz VVUNUPWCTSSUPR-LBPRGKRZSA-N 1 1 323.401 -1.854 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CN=NC1=O ZINC001375090188 920746846 /nfs/dbraw/zinc/74/68/46/920746846.db2.gz UZFWUMRYWQADEM-QWRGUYRKSA-N 1 1 324.385 -1.054 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001375104149 920747358 /nfs/dbraw/zinc/74/73/58/920747358.db2.gz WMRSIISMCLEAAW-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001375104149 920747372 /nfs/dbraw/zinc/74/73/72/920747372.db2.gz WMRSIISMCLEAAW-VIFPVBQESA-N 1 1 308.404 -1.762 20 0 DAADMO C[C@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001375091306 920747759 /nfs/dbraw/zinc/74/77/59/920747759.db2.gz XJGLYDTUJDDCEX-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)CN1CCNC(=O)C1 ZINC001375091306 920747770 /nfs/dbraw/zinc/74/77/70/920747770.db2.gz XJGLYDTUJDDCEX-GFCCVEGCSA-N 1 1 322.413 -1.212 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001375115137 920747801 /nfs/dbraw/zinc/74/78/01/920747801.db2.gz WQCBOFFAWDYKGT-AEJSXWLSSA-N 1 1 316.358 -1.972 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375151918 920748888 /nfs/dbraw/zinc/74/88/88/920748888.db2.gz BAVWQVZQFGXANO-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375151918 920748898 /nfs/dbraw/zinc/74/88/98/920748898.db2.gz BAVWQVZQFGXANO-IUCAKERBSA-N 1 1 306.388 -2.139 20 0 DAADMO C[C@H](C[N@@H+](C)CCCO)NC(=O)CN1CCC(=O)NC1=O ZINC001375131073 920748937 /nfs/dbraw/zinc/74/89/37/920748937.db2.gz FYPGTGGDGIXNHX-SNVBAGLBSA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001375132239 920750299 /nfs/dbraw/zinc/75/02/99/920750299.db2.gz MYVNYVRJISEPIM-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001375132239 920750310 /nfs/dbraw/zinc/75/03/10/920750310.db2.gz MYVNYVRJISEPIM-JTQLQIEISA-N 1 1 324.385 -1.697 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001375147259 920750689 /nfs/dbraw/zinc/75/06/89/920750689.db2.gz CSDVNUKTAUTOFW-DTWKUNHWSA-N 1 1 311.346 -1.702 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001375147259 920750700 /nfs/dbraw/zinc/75/07/00/920750700.db2.gz CSDVNUKTAUTOFW-DTWKUNHWSA-N 1 1 311.346 -1.702 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)CS(C)(=O)=O)C2CC2)nn1 ZINC001375209146 920754070 /nfs/dbraw/zinc/75/40/70/920754070.db2.gz ZMBLHEURKLARPB-LLVKDONJSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1ncc(C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)c1N ZINC001375211103 920754423 /nfs/dbraw/zinc/75/44/23/920754423.db2.gz HKOMAISCXWFCSO-SNVBAGLBSA-N 1 1 319.373 -1.176 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001375242387 920756934 /nfs/dbraw/zinc/75/69/34/920756934.db2.gz GKWPWYSAZQLEAZ-MNOVXSKESA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H](C[NH2+]Cc2cnon2)C2CC2)c1=O ZINC001375237683 920757400 /nfs/dbraw/zinc/75/74/00/920757400.db2.gz CYRZTYWULULJLW-NSHDSACASA-N 1 1 321.341 -1.351 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)CN1CCCC1)C1CC1 ZINC001375269271 920758867 /nfs/dbraw/zinc/75/88/67/920758867.db2.gz GJOPEEKALQXHRS-LLVKDONJSA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001375291985 920760413 /nfs/dbraw/zinc/76/04/13/920760413.db2.gz HEBJGQBIIOGQFI-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)cn1 ZINC001375291985 920760422 /nfs/dbraw/zinc/76/04/22/920760422.db2.gz HEBJGQBIIOGQFI-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001375321160 920765517 /nfs/dbraw/zinc/76/55/17/920765517.db2.gz HQUBQMHBDJDVHD-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001375322345 920766161 /nfs/dbraw/zinc/76/61/61/920766161.db2.gz JYGDIGDEQPOAJY-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@@]1(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)CCC(=O)N1 ZINC001375350616 920768727 /nfs/dbraw/zinc/76/87/27/920768727.db2.gz UOUHXRZRABGEDO-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)CCC(=O)N1 ZINC001375350616 920768740 /nfs/dbraw/zinc/76/87/40/920768740.db2.gz UOUHXRZRABGEDO-ABAIWWIYSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001375356254 920769152 /nfs/dbraw/zinc/76/91/52/920769152.db2.gz LCRHMUHSJFKGLA-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001375368894 920769437 /nfs/dbraw/zinc/76/94/37/920769437.db2.gz JBPQUPMXKXDBGZ-GHMZBOCLSA-N 1 1 310.354 -1.408 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1CCC[C@H](C)O ZINC001375374926 920769533 /nfs/dbraw/zinc/76/95/33/920769533.db2.gz FSNODYBSQSXPBV-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001375374921 920769744 /nfs/dbraw/zinc/76/97/44/920769744.db2.gz FSNODYBSQSXPBV-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001375374750 920770200 /nfs/dbraw/zinc/77/02/00/920770200.db2.gz DSHOFJZTPLODLY-QWRGUYRKSA-N 1 1 305.400 -1.237 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCNC2=O)CCC(=O)N1 ZINC001375350621 920770549 /nfs/dbraw/zinc/77/05/49/920770549.db2.gz UOUHXRZRABGEDO-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H]2CC[N@H+]2CCN2CCNC2=O)CCC(=O)N1 ZINC001375350621 920770558 /nfs/dbraw/zinc/77/05/58/920770558.db2.gz UOUHXRZRABGEDO-NHYWBVRUSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnnc1CN1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001375349466 920770930 /nfs/dbraw/zinc/77/09/30/920770930.db2.gz HXBYJLQFIQIGCY-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCCF)C(N)=O ZINC001375352389 920771161 /nfs/dbraw/zinc/77/11/61/920771161.db2.gz YYIQVTZBJLDEOT-MNOVXSKESA-N 1 1 302.350 -1.083 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@H]3CCC(=O)N3)CC2)nc1=O ZINC001375401444 920772525 /nfs/dbraw/zinc/77/25/25/920772525.db2.gz CVDPPFQTPFVKEQ-MRVPVSSYSA-N 1 1 308.342 -1.875 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405788 920773451 /nfs/dbraw/zinc/77/34/51/920773451.db2.gz OEHXCISWQIPCBG-QWRGUYRKSA-N 1 1 323.401 -1.160 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)c1nnnn1C ZINC001375405788 920773462 /nfs/dbraw/zinc/77/34/62/920773462.db2.gz OEHXCISWQIPCBG-QWRGUYRKSA-N 1 1 323.401 -1.160 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)NC(N)=O)CC2)C1 ZINC001375522801 920783669 /nfs/dbraw/zinc/78/36/69/920783669.db2.gz SNBRFHFBVVGWJA-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)NC(N)=O)CC2)C1 ZINC001375522801 920783684 /nfs/dbraw/zinc/78/36/84/920783684.db2.gz SNBRFHFBVVGWJA-SNVBAGLBSA-N 1 1 311.386 -1.239 20 0 DAADMO Cc1nonc1C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001375562822 920786860 /nfs/dbraw/zinc/78/68/60/920786860.db2.gz LSCLPCHHHXRJSH-UHFFFAOYSA-N 1 1 307.314 -1.148 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001375546537 920787136 /nfs/dbraw/zinc/78/71/36/920787136.db2.gz YPATVHWRFMCUEE-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001375620327 920789614 /nfs/dbraw/zinc/78/96/14/920789614.db2.gz MBNOAOATUKQPOA-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CCOC2)n1 ZINC001375601852 920789644 /nfs/dbraw/zinc/78/96/44/920789644.db2.gz HJZDZWWLBOLWLA-SECBINFHSA-N 1 1 323.353 -1.200 20 0 DAADMO COCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CC(=O)NC(N)=O)C1 ZINC001375613814 920790111 /nfs/dbraw/zinc/79/01/11/920790111.db2.gz VDSDWSPMKPNRQH-BJDJZHNGSA-N 1 1 324.381 -1.004 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001375640709 920791693 /nfs/dbraw/zinc/79/16/93/920791693.db2.gz WVSVKZSJQQSEDF-IAQYHMDHSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1nccc1C(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001375638319 920793030 /nfs/dbraw/zinc/79/30/30/920793030.db2.gz YVYKNOOKDVOVFH-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO Cn1nccc1C(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001375638319 920793042 /nfs/dbraw/zinc/79/30/42/920793042.db2.gz YVYKNOOKDVOVFH-NSHDSACASA-N 1 1 309.370 -1.196 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001375631529 920793061 /nfs/dbraw/zinc/79/30/61/920793061.db2.gz NPPDBHFWPKNTIO-SNVBAGLBSA-N 1 1 322.369 -1.557 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001375631529 920793070 /nfs/dbraw/zinc/79/30/70/920793070.db2.gz NPPDBHFWPKNTIO-SNVBAGLBSA-N 1 1 322.369 -1.557 20 0 DAADMO CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001375635362 920794248 /nfs/dbraw/zinc/79/42/48/920794248.db2.gz RUMLRJKOVCVRAI-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001375640707 920794276 /nfs/dbraw/zinc/79/42/76/920794276.db2.gz WVSVKZSJQQSEDF-ABAIWWIYSA-N 1 1 323.397 -1.272 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnccn2)CC1 ZINC001375684720 920795217 /nfs/dbraw/zinc/79/52/17/920795217.db2.gz JGFNBZPKYPFGSV-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001375668225 920796715 /nfs/dbraw/zinc/79/67/15/920796715.db2.gz GFUATYAYAQQFOC-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001375668225 920796721 /nfs/dbraw/zinc/79/67/21/920796721.db2.gz GFUATYAYAQQFOC-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001375746734 920804725 /nfs/dbraw/zinc/80/47/25/920804725.db2.gz UVEYAKYMIAUVFQ-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001375763580 920805327 /nfs/dbraw/zinc/80/53/27/920805327.db2.gz WHUXXVBBCCPCDY-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001375746921 920806329 /nfs/dbraw/zinc/80/63/29/920806329.db2.gz VSGFOBKBJRXJQZ-ONGXEEELSA-N 1 1 309.374 -1.012 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001375814675 920807711 /nfs/dbraw/zinc/80/77/11/920807711.db2.gz ZABLXROGONWYEK-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@]1(NC(=O)Cn2cnnn2)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001375814675 920807722 /nfs/dbraw/zinc/80/77/22/920807722.db2.gz ZABLXROGONWYEK-CQSZACIVSA-N 1 1 321.385 -1.124 20 0 DAADMO CN(CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001375826770 920809126 /nfs/dbraw/zinc/80/91/26/920809126.db2.gz FNWAURLNUNUEIX-NSHDSACASA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001375826770 920809139 /nfs/dbraw/zinc/80/91/39/920809139.db2.gz FNWAURLNUNUEIX-NSHDSACASA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@H+](CCN2CCNC2=O)C1 ZINC001375844084 920809288 /nfs/dbraw/zinc/80/92/88/920809288.db2.gz AYQRYPUNPOXENH-AWEZNQCLSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@]1(NC(=O)Cc2nnc[nH]2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001375844084 920809305 /nfs/dbraw/zinc/80/93/05/920809305.db2.gz AYQRYPUNPOXENH-AWEZNQCLSA-N 1 1 321.385 -1.047 20 0 DAADMO CN(CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001375826762 920810542 /nfs/dbraw/zinc/81/05/42/920810542.db2.gz FNWAURLNUNUEIX-LLVKDONJSA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)S(C)(=O)=O ZINC001375826762 920810551 /nfs/dbraw/zinc/81/05/51/920810551.db2.gz FNWAURLNUNUEIX-LLVKDONJSA-N 1 1 306.388 -2.056 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375856988 920812398 /nfs/dbraw/zinc/81/23/98/920812398.db2.gz XKRSUZCJONJBMJ-CYBMUJFWSA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)CCNC(N)=O)C1 ZINC001375856988 920812406 /nfs/dbraw/zinc/81/24/06/920812406.db2.gz XKRSUZCJONJBMJ-CYBMUJFWSA-N 1 1 309.374 -1.046 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375990804 920815168 /nfs/dbraw/zinc/81/51/68/920815168.db2.gz DXYOKKVBTDMIGI-ZWNOBZJWSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375995409 920815457 /nfs/dbraw/zinc/81/54/57/920815457.db2.gz IANPPMQTYINLDK-YGRLFVJLSA-N 1 1 313.354 -1.438 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375992427 920815496 /nfs/dbraw/zinc/81/54/96/920815496.db2.gz AXLAVMLVCGYHCP-CQSZACIVSA-N 1 1 313.354 -1.484 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2=COCCO2)C1 ZINC001375992427 920815505 /nfs/dbraw/zinc/81/55/05/920815505.db2.gz AXLAVMLVCGYHCP-CQSZACIVSA-N 1 1 313.354 -1.484 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001375994601 920815646 /nfs/dbraw/zinc/81/56/46/920815646.db2.gz GQLDLRKNHIXTGU-GXTWGEPZSA-N 1 1 324.385 -1.205 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375994943 920815731 /nfs/dbraw/zinc/81/57/31/920815731.db2.gz HLHSFIXVXWJDPW-JQWIXIFHSA-N 1 1 314.346 -2.767 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001375994835 920816150 /nfs/dbraw/zinc/81/61/50/920816150.db2.gz NDXJQTIGECLLLU-BXUZGUMPSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001375990799 920817018 /nfs/dbraw/zinc/81/70/18/920817018.db2.gz DXYOKKVBTDMIGI-GWCFXTLKSA-N 1 1 300.359 -2.061 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2snnc2C)C1 ZINC001375992455 920817236 /nfs/dbraw/zinc/81/72/36/920817236.db2.gz BFMDPZRXQGZDLK-GFCCVEGCSA-N 1 1 313.383 -1.241 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2snnc2C)C1 ZINC001375992455 920817246 /nfs/dbraw/zinc/81/72/46/920817246.db2.gz BFMDPZRXQGZDLK-GFCCVEGCSA-N 1 1 313.383 -1.241 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001375994854 920817728 /nfs/dbraw/zinc/81/77/28/920817728.db2.gz NDXJQTIGECLLLU-SMDDNHRTSA-N 1 1 324.385 -1.515 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001375997605 920818721 /nfs/dbraw/zinc/81/87/21/920818721.db2.gz YFBYTDWOBBNWKX-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cccn2)C1 ZINC001375997605 920818732 /nfs/dbraw/zinc/81/87/32/920818732.db2.gz YFBYTDWOBBNWKX-HNNXBMFYSA-N 1 1 323.397 -1.038 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001375999320 920818933 /nfs/dbraw/zinc/81/89/33/920818933.db2.gz VDPWFYGFNGRCRD-GXFFZTMASA-N 1 1 323.357 -2.495 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001375996726 920819032 /nfs/dbraw/zinc/81/90/32/920819032.db2.gz MJJVGTRRXBMLLN-SKDRFNHKSA-N 1 1 311.346 -2.639 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376000864 920819414 /nfs/dbraw/zinc/81/94/14/920819414.db2.gz CRFBLSGTJPZBDA-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376000864 920819429 /nfs/dbraw/zinc/81/94/29/920819429.db2.gz CRFBLSGTJPZBDA-RNCFNFMXSA-N 1 1 300.359 -2.061 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001376002757 920819956 /nfs/dbraw/zinc/81/99/56/920819956.db2.gz HVKLMECQLCCPFD-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001376003283 920820378 /nfs/dbraw/zinc/82/03/78/920820378.db2.gz ITOYIXBKCFFSIV-OCCSQVGLSA-N 1 1 301.387 -1.484 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001375997415 920820782 /nfs/dbraw/zinc/82/07/82/920820782.db2.gz OOQWAYJPZFGLQB-AWEZNQCLSA-N 1 1 317.353 -1.179 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001375998087 920821089 /nfs/dbraw/zinc/82/10/89/920821089.db2.gz NVCPJCWVZVGQDZ-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001375998087 920821104 /nfs/dbraw/zinc/82/11/04/920821104.db2.gz NVCPJCWVZVGQDZ-AWEZNQCLSA-N 1 1 312.370 -1.205 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001375997609 920821753 /nfs/dbraw/zinc/82/17/53/920821753.db2.gz YFBYTDWOBBNWKX-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001375997609 920821762 /nfs/dbraw/zinc/82/17/62/920821762.db2.gz YFBYTDWOBBNWKX-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001376005163 920821809 /nfs/dbraw/zinc/82/18/09/920821809.db2.gz JZBUPVMLSWTQER-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnn2C)C1 ZINC001376005163 920821826 /nfs/dbraw/zinc/82/18/26/920821826.db2.gz JZBUPVMLSWTQER-CQSZACIVSA-N 1 1 309.370 -1.277 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnns2)C1 ZINC001376003626 920821892 /nfs/dbraw/zinc/82/18/92/920821892.db2.gz DHFYWEKOXOXEIH-CABZTGNLSA-N 1 1 316.383 -1.288 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376004257 920822258 /nfs/dbraw/zinc/82/22/58/920822258.db2.gz KNRJBSTZUKXRJY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376004257 920822263 /nfs/dbraw/zinc/82/22/63/920822263.db2.gz KNRJBSTZUKXRJY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001375998099 920822312 /nfs/dbraw/zinc/82/23/12/920822312.db2.gz NZPPFNTYNVVESM-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(C)=O)C1 ZINC001375998099 920822323 /nfs/dbraw/zinc/82/23/23/920822323.db2.gz NZPPFNTYNVVESM-ZDUSSCGKSA-N 1 1 300.359 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001376005034 920822459 /nfs/dbraw/zinc/82/24/59/920822459.db2.gz JQWRLVCPKMWUMQ-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001376005034 920822472 /nfs/dbraw/zinc/82/24/72/920822472.db2.gz JQWRLVCPKMWUMQ-AWEZNQCLSA-N 1 1 309.370 -1.509 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001376010506 920823172 /nfs/dbraw/zinc/82/31/72/920823172.db2.gz OISXEASRCVCSCG-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCOC2)C1)N1CCC1 ZINC001376010506 920823185 /nfs/dbraw/zinc/82/31/85/920823185.db2.gz OISXEASRCVCSCG-IUODEOHRSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)CS(C)(=O)=O)C1 ZINC001376017203 920823249 /nfs/dbraw/zinc/82/32/49/920823249.db2.gz VBTVQIKMZSEVCB-DGCLKSJQSA-N 1 1 322.427 -1.255 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001376029699 920823807 /nfs/dbraw/zinc/82/38/07/920823807.db2.gz CFORISXSUQVHGK-CYBMUJFWSA-N 1 1 319.427 -1.111 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001376010447 920824353 /nfs/dbraw/zinc/82/43/53/920824353.db2.gz NXEAMDCEBQUBKX-RNCFNFMXSA-N 1 1 300.359 -2.109 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001376010447 920824366 /nfs/dbraw/zinc/82/43/66/920824366.db2.gz NXEAMDCEBQUBKX-RNCFNFMXSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001376014306 920824447 /nfs/dbraw/zinc/82/44/47/920824447.db2.gz WJBXXGKLKVURKU-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001376014306 920824457 /nfs/dbraw/zinc/82/44/57/920824457.db2.gz WJBXXGKLKVURKU-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001376028351 920826381 /nfs/dbraw/zinc/82/63/81/920826381.db2.gz BPYQOVRCCGTVHL-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376033654 920828463 /nfs/dbraw/zinc/82/84/63/920828463.db2.gz JJURHERDOANPEW-FZMZJTMJSA-N 1 1 317.386 -1.927 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001376033898 920828764 /nfs/dbraw/zinc/82/87/64/920828764.db2.gz JPZILNXJNDWKIJ-BXUZGUMPSA-N 1 1 323.353 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001376039963 920828970 /nfs/dbraw/zinc/82/89/70/920828970.db2.gz RMDQLMQRFBRTOC-MFKMUULPSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001376039963 920828984 /nfs/dbraw/zinc/82/89/84/920828984.db2.gz RMDQLMQRFBRTOC-MFKMUULPSA-N 1 1 308.342 -2.130 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001376034493 920829464 /nfs/dbraw/zinc/82/94/64/920829464.db2.gz JYRKZXFDFFSNBT-BONVTDFDSA-N 1 1 321.381 -1.132 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001376034493 920829480 /nfs/dbraw/zinc/82/94/80/920829480.db2.gz JYRKZXFDFFSNBT-BONVTDFDSA-N 1 1 321.381 -1.132 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001376035591 920830257 /nfs/dbraw/zinc/83/02/57/920830257.db2.gz JJADPJPOVYGNSB-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NC)C1)OC ZINC001376034610 920830614 /nfs/dbraw/zinc/83/06/14/920830614.db2.gz KVPZXFDMLSZTEL-BXUZGUMPSA-N 1 1 316.402 -1.107 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cc1C1CC1 ZINC001376035686 920830837 /nfs/dbraw/zinc/83/08/37/920830837.db2.gz LTNPZNZZZZFZSK-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO Cn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cc1C1CC1 ZINC001376035686 920830842 /nfs/dbraw/zinc/83/08/42/920830842.db2.gz LTNPZNZZZZFZSK-HNNXBMFYSA-N 1 1 321.381 -1.051 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NC)C1)OC ZINC001376034611 920831164 /nfs/dbraw/zinc/83/11/64/920831164.db2.gz KVPZXFDMLSZTEL-FZMZJTMJSA-N 1 1 316.402 -1.107 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cncn2C)C1 ZINC001376046756 920833803 /nfs/dbraw/zinc/83/38/03/920833803.db2.gz NLRIFMXNNZOGEY-RISCZKNCSA-N 1 1 312.370 -1.406 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001376040863 920834159 /nfs/dbraw/zinc/83/41/59/920834159.db2.gz VEKJOKAFBSBVAE-WFASDCNBSA-N 1 1 312.414 -1.101 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001376046029 920834856 /nfs/dbraw/zinc/83/48/56/920834856.db2.gz FMUZUBVEQNVWEY-MQMSNWMVSA-N 1 1 309.366 -1.552 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001376046029 920834870 /nfs/dbraw/zinc/83/48/70/920834870.db2.gz FMUZUBVEQNVWEY-MQMSNWMVSA-N 1 1 309.366 -1.552 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001376046151 920835130 /nfs/dbraw/zinc/83/51/30/920835130.db2.gz DZJTUJYFPRCZJW-AWEZNQCLSA-N 1 1 311.386 -1.065 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncn2C)C1 ZINC001376046758 920835501 /nfs/dbraw/zinc/83/55/01/920835501.db2.gz NLRIFMXNNZOGEY-SMDDNHRTSA-N 1 1 312.370 -1.406 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001376044786 920835608 /nfs/dbraw/zinc/83/56/08/920835608.db2.gz DQZRRUURWQGSJT-HZMBPMFUSA-N 1 1 312.370 -1.024 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCn2cncc2C1 ZINC001376059005 920836983 /nfs/dbraw/zinc/83/69/83/920836983.db2.gz UHSOWTFHPKEHJD-WFASDCNBSA-N 1 1 308.382 -1.009 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376047908 920837624 /nfs/dbraw/zinc/83/76/24/920837624.db2.gz PTWOFDVSXJIZKN-CYBMUJFWSA-N 1 1 312.326 -2.506 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376065341 920837684 /nfs/dbraw/zinc/83/76/84/920837684.db2.gz GVDFDICGSYWQBL-NEPJUHHUSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376047909 920837954 /nfs/dbraw/zinc/83/79/54/920837954.db2.gz PTWOFDVSXJIZKN-ZDUSSCGKSA-N 1 1 312.326 -2.506 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001376059097 920838046 /nfs/dbraw/zinc/83/80/46/920838046.db2.gz URYASQIFRMDTHT-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001376059097 920838058 /nfs/dbraw/zinc/83/80/58/920838058.db2.gz URYASQIFRMDTHT-NHYWBVRUSA-N 1 1 321.381 -1.516 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001376047876 920838140 /nfs/dbraw/zinc/83/81/40/920838140.db2.gz PQCPIYPJFAFGFA-SWLSCSKDSA-N 1 1 313.398 -1.019 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048718 920838530 /nfs/dbraw/zinc/83/85/30/920838530.db2.gz WXTQURYOMHTXDF-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048718 920838545 /nfs/dbraw/zinc/83/85/45/920838545.db2.gz WXTQURYOMHTXDF-IINYFYTJSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048726 920838862 /nfs/dbraw/zinc/83/88/62/920838862.db2.gz WXTQURYOMHTXDF-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cn[nH]c(=O)c1 ZINC001376048726 920838878 /nfs/dbraw/zinc/83/88/78/920838878.db2.gz WXTQURYOMHTXDF-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001376050243 920839563 /nfs/dbraw/zinc/83/95/63/920839563.db2.gz NPSXPSIWTRKCLQ-UWVGGRQHSA-N 1 1 308.404 -1.998 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001376065625 920839676 /nfs/dbraw/zinc/83/96/76/920839676.db2.gz VGPXJXLKIZWYIV-WDEREUQCSA-N 1 1 302.375 -1.497 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048101 920840415 /nfs/dbraw/zinc/84/04/15/920840415.db2.gz ITNSGDAQVIXEBZ-GUTXKFCHSA-N 1 1 315.414 -1.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001376048101 920840424 /nfs/dbraw/zinc/84/04/24/920840424.db2.gz ITNSGDAQVIXEBZ-GUTXKFCHSA-N 1 1 315.414 -1.359 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001376062556 920840483 /nfs/dbraw/zinc/84/04/83/920840483.db2.gz YCUWUSOIIFESDD-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001376062556 920840491 /nfs/dbraw/zinc/84/04/91/920840491.db2.gz YCUWUSOIIFESDD-AWEZNQCLSA-N 1 1 318.337 -1.390 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001376059100 920840971 /nfs/dbraw/zinc/84/09/71/920840971.db2.gz URYASQIFRMDTHT-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001376059100 920840986 /nfs/dbraw/zinc/84/09/86/920840986.db2.gz URYASQIFRMDTHT-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066438 920841914 /nfs/dbraw/zinc/84/19/14/920841914.db2.gz BDPLHQWFSVKCEV-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376066438 920841933 /nfs/dbraw/zinc/84/19/33/920841933.db2.gz BDPLHQWFSVKCEV-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1nccn2ccnc12 ZINC001376077163 920842126 /nfs/dbraw/zinc/84/21/26/920842126.db2.gz GWMBPFYTGYZEEW-AWEZNQCLSA-N 1 1 305.338 -1.112 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376067380 920842580 /nfs/dbraw/zinc/84/25/80/920842580.db2.gz YWRZREBYEACRFJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001376067380 920842594 /nfs/dbraw/zinc/84/25/94/920842594.db2.gz YWRZREBYEACRFJ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001376075469 920843830 /nfs/dbraw/zinc/84/38/30/920843830.db2.gz COOJQXHFIUILCD-GXTWGEPZSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075469 920843840 /nfs/dbraw/zinc/84/38/40/920843840.db2.gz COOJQXHFIUILCD-GXTWGEPZSA-N 1 1 312.370 -1.488 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001376075469 920843849 /nfs/dbraw/zinc/84/38/49/920843849.db2.gz COOJQXHFIUILCD-GXTWGEPZSA-N 1 1 312.370 -1.488 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376067356 920844260 /nfs/dbraw/zinc/84/42/60/920844260.db2.gz YWRZREBYEACRFJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001376067356 920844272 /nfs/dbraw/zinc/84/42/72/920844272.db2.gz YWRZREBYEACRFJ-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1C ZINC001376075201 920844972 /nfs/dbraw/zinc/84/49/72/920844972.db2.gz DIUSAJXGONIBJW-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1C ZINC001376075201 920844983 /nfs/dbraw/zinc/84/49/83/920844983.db2.gz DIUSAJXGONIBJW-XHDPSFHLSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1C ZINC001376075194 920845204 /nfs/dbraw/zinc/84/52/04/920845204.db2.gz DIUSAJXGONIBJW-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1C ZINC001376075194 920845219 /nfs/dbraw/zinc/84/52/19/920845219.db2.gz DIUSAJXGONIBJW-NHYWBVRUSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1cnoc1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001376077091 920845282 /nfs/dbraw/zinc/84/52/82/920845282.db2.gz HEYLRJNQDIDGFH-SMDDNHRTSA-N 1 1 308.338 -1.341 20 0 DAADMO O=C(Cc1cnoc1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001376077091 920845292 /nfs/dbraw/zinc/84/52/92/920845292.db2.gz HEYLRJNQDIDGFH-SMDDNHRTSA-N 1 1 308.338 -1.341 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN([C@@H]2CCNC2=O)C1 ZINC001376085018 920846166 /nfs/dbraw/zinc/84/61/66/920846166.db2.gz BKWQGBUJHUPQAE-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001376085954 920846997 /nfs/dbraw/zinc/84/69/97/920846997.db2.gz VFKDEFBKADFVHC-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376085954 920847005 /nfs/dbraw/zinc/84/70/05/920847005.db2.gz VFKDEFBKADFVHC-OAHLLOKOSA-N 1 1 321.381 -1.216 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376088534 920847105 /nfs/dbraw/zinc/84/71/05/920847105.db2.gz IXBZJNSTOHWNOE-AWEZNQCLSA-N 1 1 323.353 -2.307 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376088534 920847115 /nfs/dbraw/zinc/84/71/15/920847115.db2.gz IXBZJNSTOHWNOE-AWEZNQCLSA-N 1 1 323.353 -2.307 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376088729 920847843 /nfs/dbraw/zinc/84/78/43/920847843.db2.gz KKAZKMZOQLUGAP-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO CC(C)(C)S(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376088729 920847857 /nfs/dbraw/zinc/84/78/57/920847857.db2.gz KKAZKMZOQLUGAP-CYBMUJFWSA-N 1 1 322.427 -1.255 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001376086827 920848147 /nfs/dbraw/zinc/84/81/47/920848147.db2.gz GTAPKGNNRWKHTM-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001376087276 920848709 /nfs/dbraw/zinc/84/87/09/920848709.db2.gz DAXCXXVSLKQUQW-OAHLLOKOSA-N 1 1 323.397 -1.098 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001376087276 920848723 /nfs/dbraw/zinc/84/87/23/920848723.db2.gz DAXCXXVSLKQUQW-OAHLLOKOSA-N 1 1 323.397 -1.098 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376088539 920848762 /nfs/dbraw/zinc/84/87/62/920848762.db2.gz IXBZJNSTOHWNOE-CQSZACIVSA-N 1 1 323.353 -2.307 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001376088539 920848779 /nfs/dbraw/zinc/84/87/79/920848779.db2.gz IXBZJNSTOHWNOE-CQSZACIVSA-N 1 1 323.353 -2.307 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1)N1CCC1 ZINC001376096656 920850411 /nfs/dbraw/zinc/85/04/11/920850411.db2.gz LAQDNUJUIOMXQX-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1)N1CCC1 ZINC001376096656 920850425 /nfs/dbraw/zinc/85/04/25/920850425.db2.gz LAQDNUJUIOMXQX-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001376096684 920850458 /nfs/dbraw/zinc/85/04/58/920850458.db2.gz ZAWBQUBPAGIUBR-RISCZKNCSA-N 1 1 322.369 -1.890 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001376089109 920851161 /nfs/dbraw/zinc/85/11/61/920851161.db2.gz BFQSHCGPMOMTAT-OTYXRUKQSA-N 1 1 323.353 -1.097 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001376089109 920851168 /nfs/dbraw/zinc/85/11/68/920851168.db2.gz BFQSHCGPMOMTAT-OTYXRUKQSA-N 1 1 323.353 -1.097 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1)N1CCC1 ZINC001376096652 920851481 /nfs/dbraw/zinc/85/14/81/920851481.db2.gz LAQDNUJUIOMXQX-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ccncn2)C1)N1CCC1 ZINC001376096652 920851493 /nfs/dbraw/zinc/85/14/93/920851493.db2.gz LAQDNUJUIOMXQX-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001376089200 920852305 /nfs/dbraw/zinc/85/23/05/920852305.db2.gz DCICVUZXYITGBQ-ZYHUDNBSSA-N 1 1 321.399 -2.387 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001376091371 920853171 /nfs/dbraw/zinc/85/31/71/920853171.db2.gz LUSHWVYYHQNYET-SMDDNHRTSA-N 1 1 300.403 -1.245 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001376090298 920853530 /nfs/dbraw/zinc/85/35/30/920853530.db2.gz MVPZMLCEPLTAJK-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001376090298 920853540 /nfs/dbraw/zinc/85/35/40/920853540.db2.gz MVPZMLCEPLTAJK-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001376104738 920857194 /nfs/dbraw/zinc/85/71/94/920857194.db2.gz ZBIMTYQQUPYWQD-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cn[nH]c2)C1 ZINC001376104738 920857200 /nfs/dbraw/zinc/85/72/00/920857200.db2.gz ZBIMTYQQUPYWQD-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN(CC(=O)N(C)C)C1 ZINC001376102216 920857947 /nfs/dbraw/zinc/85/79/47/920857947.db2.gz XWWWYLOGDWBFSX-HNNXBMFYSA-N 1 1 314.430 -1.032 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102954 920858409 /nfs/dbraw/zinc/85/84/09/920858409.db2.gz VDNVGDQARSJEHO-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cccnn1 ZINC001376102954 920858425 /nfs/dbraw/zinc/85/84/25/920858425.db2.gz VDNVGDQARSJEHO-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001376116552 920860592 /nfs/dbraw/zinc/86/05/92/920860592.db2.gz FNMDUKWTIYAZRZ-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001376116552 920860603 /nfs/dbraw/zinc/86/06/03/920860603.db2.gz FNMDUKWTIYAZRZ-OAHLLOKOSA-N 1 1 323.397 -1.038 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001376121348 920862974 /nfs/dbraw/zinc/86/29/74/920862974.db2.gz RAKVXEGKXWUNJI-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001376121348 920862991 /nfs/dbraw/zinc/86/29/91/920862991.db2.gz RAKVXEGKXWUNJI-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)c1 ZINC001376113937 920863537 /nfs/dbraw/zinc/86/35/37/920863537.db2.gz BGIIIMNSYLOXHX-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ccnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)c1 ZINC001376113937 920863546 /nfs/dbraw/zinc/86/35/46/920863546.db2.gz BGIIIMNSYLOXHX-OAHLLOKOSA-N 1 1 321.381 -1.201 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129652 920865183 /nfs/dbraw/zinc/86/51/83/920865183.db2.gz PNCALLSPFSBRSB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129652 920865193 /nfs/dbraw/zinc/86/51/93/920865193.db2.gz PNCALLSPFSBRSB-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)nc1 ZINC001376123461 920866370 /nfs/dbraw/zinc/86/63/70/920866370.db2.gz SNYXJCDMCBLNLO-CQSZACIVSA-N 1 1 308.338 -1.661 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129663 920866725 /nfs/dbraw/zinc/86/67/25/920866725.db2.gz PNCALLSPFSBRSB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129663 920866734 /nfs/dbraw/zinc/86/67/34/920866734.db2.gz PNCALLSPFSBRSB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@]1(CCC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CCC(=O)N1 ZINC001376124084 920866831 /nfs/dbraw/zinc/86/68/31/920866831.db2.gz UKMHTLFJIFQXAG-HUUCEWRRSA-N 1 1 313.398 -1.019 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129644 920867237 /nfs/dbraw/zinc/86/72/37/920867237.db2.gz PNCALLSPFSBRSB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001376129644 920867252 /nfs/dbraw/zinc/86/72/52/920867252.db2.gz PNCALLSPFSBRSB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001376136115 920868717 /nfs/dbraw/zinc/86/87/17/920868717.db2.gz YUSSEUILSINLBM-MNOVXSKESA-N 1 1 313.358 -2.220 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001376130552 920869852 /nfs/dbraw/zinc/86/98/52/920869852.db2.gz GLSZLPAARYKWIU-NEPJUHHUSA-N 1 1 315.370 -1.957 20 0 DAADMO Cn1nnnc1CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376143358 920872392 /nfs/dbraw/zinc/87/23/92/920872392.db2.gz QXBFETGHCNHOTB-SNVBAGLBSA-N 1 1 309.374 -2.033 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001376138742 920873432 /nfs/dbraw/zinc/87/34/32/920873432.db2.gz ITXCAMUCICVXOF-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001376147048 920874065 /nfs/dbraw/zinc/87/40/65/920874065.db2.gz MUVHALIHHPLYAF-FIFYQCSRSA-N 1 1 310.807 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001376147048 920874082 /nfs/dbraw/zinc/87/40/82/920874082.db2.gz MUVHALIHHPLYAF-FIFYQCSRSA-N 1 1 310.807 -1.017 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001376169539 920880154 /nfs/dbraw/zinc/88/01/54/920880154.db2.gz LZRHJVAHTMCWTA-UHFFFAOYSA-N 1 1 310.358 -1.660 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001376165786 920880503 /nfs/dbraw/zinc/88/05/03/920880503.db2.gz XJKDCHJCTLEMTR-NXEZZACHSA-N 1 1 322.369 -1.264 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001376165786 920880518 /nfs/dbraw/zinc/88/05/18/920880518.db2.gz XJKDCHJCTLEMTR-NXEZZACHSA-N 1 1 322.369 -1.264 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376171615 920883977 /nfs/dbraw/zinc/88/39/77/920883977.db2.gz XPRKRPQVAVUOFT-JHJVBQTASA-N 1 1 315.414 -1.503 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001376191096 920887368 /nfs/dbraw/zinc/88/73/68/920887368.db2.gz DVKKKHYMSNPYGC-UHFFFAOYSA-N 1 1 322.365 -1.088 20 0 DAADMO CC(C)CC[NH+]1CC(O)(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001376190163 920887866 /nfs/dbraw/zinc/88/78/66/920887866.db2.gz AAGXUKDJZKBKPL-UHFFFAOYSA-N 1 1 311.386 -1.209 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C2CC2)nn1 ZINC001376212901 920893721 /nfs/dbraw/zinc/89/37/21/920893721.db2.gz XDXVXEAHIKVHSK-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001376224753 920896183 /nfs/dbraw/zinc/89/61/83/920896183.db2.gz IFFCBKOOXKROMW-GFCCVEGCSA-N 1 1 324.385 -1.475 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cn1nccn1 ZINC001376224753 920896193 /nfs/dbraw/zinc/89/61/93/920896193.db2.gz IFFCBKOOXKROMW-GFCCVEGCSA-N 1 1 324.385 -1.475 20 0 DAADMO NC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001376259991 920904658 /nfs/dbraw/zinc/90/46/58/920904658.db2.gz SIWNQGMFYDSEDZ-NEPJUHHUSA-N 1 1 310.398 -1.349 20 0 DAADMO NC(=O)CN1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001376260010 920905796 /nfs/dbraw/zinc/90/57/96/920905796.db2.gz SIWNQGMFYDSEDZ-RYUDHWBXSA-N 1 1 310.398 -1.349 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001376268907 920907914 /nfs/dbraw/zinc/90/79/14/920907914.db2.gz CDTFEBVUZBPFKV-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO COCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001376273554 920908511 /nfs/dbraw/zinc/90/85/11/920908511.db2.gz IYONQSVRCKSLPY-JTQLQIEISA-N 1 1 300.359 -1.002 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H](C[N@@H+](C)CCO)C2)c1=O ZINC001376279494 920911807 /nfs/dbraw/zinc/91/18/07/920911807.db2.gz FOYQMUVTZCAHOQ-GFCCVEGCSA-N 1 1 311.386 -1.256 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376279190 920913559 /nfs/dbraw/zinc/91/35/59/920913559.db2.gz UEQMWHSRRXPNKT-QWHCGFSZSA-N 1 1 315.414 -1.502 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001376297098 920914828 /nfs/dbraw/zinc/91/48/28/920914828.db2.gz MJFJBDXEIXHVGE-SNVBAGLBSA-N 1 1 309.370 -1.511 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)S(C)(=O)=O ZINC001376300613 920914997 /nfs/dbraw/zinc/91/49/97/920914997.db2.gz ZBGZEUVEUFIGSF-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001376296586 920915030 /nfs/dbraw/zinc/91/50/30/920915030.db2.gz OOJHGUBLWRAANY-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC(=O)N1 ZINC001376292049 920916698 /nfs/dbraw/zinc/91/66/98/920916698.db2.gz ANLVZKUXJVJVBX-KXNHARMFSA-N 1 1 313.354 -1.223 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H](C)C(N)=O)C2)C1 ZINC001376301641 920918721 /nfs/dbraw/zinc/91/87/21/920918721.db2.gz ZAIDLRQWRDQBOK-WDEREUQCSA-N 1 1 314.386 -2.256 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN([C@@H](C)C(N)=O)C2)C1 ZINC001376301641 920918737 /nfs/dbraw/zinc/91/87/37/920918737.db2.gz ZAIDLRQWRDQBOK-WDEREUQCSA-N 1 1 314.386 -2.256 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001376305962 920919327 /nfs/dbraw/zinc/91/93/27/920919327.db2.gz QBEIVJSSJNXKKX-AXFHLTTASA-N 1 1 320.415 -1.998 20 0 DAADMO CN(CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)C(=O)C1CC1 ZINC001376322574 920919908 /nfs/dbraw/zinc/91/99/08/920919908.db2.gz MOEDEJCGVAXZHL-NSHDSACASA-N 1 1 321.385 -1.231 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001376324656 920923055 /nfs/dbraw/zinc/92/30/55/920923055.db2.gz NKZBNURWWFLQOA-IVZWLZJFSA-N 1 1 320.353 -1.101 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCO3)C[C@H]2C1 ZINC001376381497 920929423 /nfs/dbraw/zinc/92/94/23/920929423.db2.gz JBRGMJSGQVNONO-RFQIPJPRSA-N 1 1 314.382 -1.201 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@H]2C1 ZINC001376413042 920931556 /nfs/dbraw/zinc/93/15/56/920931556.db2.gz XEDODRDEDFYJDO-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)NC(N)=O)C[C@H]2C1 ZINC001376413042 920931566 /nfs/dbraw/zinc/93/15/66/920931566.db2.gz XEDODRDEDFYJDO-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO O=C(N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001376418981 920931604 /nfs/dbraw/zinc/93/16/04/920931604.db2.gz HKIZRKHSDVWHNZ-GMTAPVOTSA-N 1 1 305.342 -1.087 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1 ZINC001376423549 920931870 /nfs/dbraw/zinc/93/18/70/920931870.db2.gz GIMBCMYZYUSFPG-SNVBAGLBSA-N 1 1 323.401 -1.277 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001376402057 920932087 /nfs/dbraw/zinc/93/20/87/920932087.db2.gz HWIXBAJMPDZTRM-IEBDPFPHSA-N 1 1 320.353 -1.003 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001376418896 920932472 /nfs/dbraw/zinc/93/24/72/920932472.db2.gz RMRVZBOSSLQXRY-XQHKEYJVSA-N 1 1 322.409 -1.024 20 0 DAADMO CCO[C@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001376402507 920932618 /nfs/dbraw/zinc/93/26/18/920932618.db2.gz JAOJNKDRJZFSFS-USZNOCQGSA-N 1 1 324.381 -1.004 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)NC[C@@H]1CCCO1 ZINC001376430695 920933626 /nfs/dbraw/zinc/93/36/26/920933626.db2.gz XRSBXHMGFHGGCH-DCAQKATOSA-N 1 1 322.369 -1.050 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001376396536 920933891 /nfs/dbraw/zinc/93/38/91/920933891.db2.gz MKVNQBKASIITBD-PHIMTYICSA-N 1 1 321.385 -1.366 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@@H]2C1 ZINC001376396536 920933905 /nfs/dbraw/zinc/93/39/05/920933905.db2.gz MKVNQBKASIITBD-PHIMTYICSA-N 1 1 321.385 -1.366 20 0 DAADMO COCCC(=O)NC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376435228 920936951 /nfs/dbraw/zinc/93/69/51/920936951.db2.gz DEZVLGKOQJQPLJ-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CS(C)(=O)=O)C2)[nH]1 ZINC001376448117 920938070 /nfs/dbraw/zinc/93/80/70/920938070.db2.gz VEUKCAVIFVMFGU-DTORHVGOSA-N 1 1 301.372 -1.105 20 0 DAADMO CC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376446530 920938542 /nfs/dbraw/zinc/93/85/42/920938542.db2.gz YSRWORWRXUASKA-OAHLLOKOSA-N 1 1 324.381 -1.453 20 0 DAADMO CC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001376446530 920938553 /nfs/dbraw/zinc/93/85/53/920938553.db2.gz YSRWORWRXUASKA-OAHLLOKOSA-N 1 1 324.381 -1.453 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](O)C(C)C)C1 ZINC001376465430 920941210 /nfs/dbraw/zinc/94/12/10/920941210.db2.gz VGPBZDLFZORGPK-GZBFAFLISA-N 1 1 318.414 -1.046 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]n2)C1 ZINC001376485630 920952277 /nfs/dbraw/zinc/95/22/77/920952277.db2.gz FGEWCBGLTBCBEB-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001376485630 920952289 /nfs/dbraw/zinc/95/22/89/920952289.db2.gz FGEWCBGLTBCBEB-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001376485630 920952304 /nfs/dbraw/zinc/95/23/04/920952304.db2.gz FGEWCBGLTBCBEB-GXFFZTMASA-N 1 1 313.358 -1.631 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376497594 920957778 /nfs/dbraw/zinc/95/77/78/920957778.db2.gz JECDMKPDHSDNJZ-IUODEOHRSA-N 1 1 312.414 -1.373 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001376507151 920961191 /nfs/dbraw/zinc/96/11/91/920961191.db2.gz KFTRFHCPTHNUGS-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001376506511 920961910 /nfs/dbraw/zinc/96/19/10/920961910.db2.gz JFFBDASRLAJBCC-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517440 920963145 /nfs/dbraw/zinc/96/31/45/920963145.db2.gz WYIVMGLSGRKEOE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001376517440 920963158 /nfs/dbraw/zinc/96/31/58/920963158.db2.gz WYIVMGLSGRKEOE-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1cnn(CC(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC001376515529 920964396 /nfs/dbraw/zinc/96/43/96/920964396.db2.gz ZWVVFLKTNISSLT-LBPRGKRZSA-N 1 1 311.386 -1.208 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)cn1 ZINC001376529494 920967108 /nfs/dbraw/zinc/96/71/08/920967108.db2.gz XLGDJZNUNOERFG-HNNXBMFYSA-N 1 1 322.365 -1.271 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001376530758 920967886 /nfs/dbraw/zinc/96/78/86/920967886.db2.gz JAKHBOBFISJHMK-ZJUUUORDSA-N 1 1 316.358 -1.970 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001376534941 920970418 /nfs/dbraw/zinc/97/04/18/920970418.db2.gz WZMYGSBYEHOZAM-NSHDSACASA-N 1 1 307.416 -1.302 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001376537198 920970721 /nfs/dbraw/zinc/97/07/21/920970721.db2.gz CHGGZOLHYQVIRF-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001376549581 920979423 /nfs/dbraw/zinc/97/94/23/920979423.db2.gz NAELPGAQYRGNBC-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549581 920979434 /nfs/dbraw/zinc/97/94/34/920979434.db2.gz NAELPGAQYRGNBC-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1nc[nH]n1 ZINC001376549581 920979446 /nfs/dbraw/zinc/97/94/46/920979446.db2.gz NAELPGAQYRGNBC-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nccnc1N ZINC001376550075 920980131 /nfs/dbraw/zinc/98/01/31/920980131.db2.gz NZBAKDGYYBGQGY-ZJUUUORDSA-N 1 1 322.369 -1.640 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nnn1C ZINC001376555387 920981625 /nfs/dbraw/zinc/98/16/25/920981625.db2.gz GXJFIGCMDFYRDO-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001376569432 920981773 /nfs/dbraw/zinc/98/17/73/920981773.db2.gz ARYHEBOLZBJDPG-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCOCC1=O ZINC001376569432 920981784 /nfs/dbraw/zinc/98/17/84/920981784.db2.gz ARYHEBOLZBJDPG-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CNC(=O)N1)c1ncccn1 ZINC001376553206 920982836 /nfs/dbraw/zinc/98/28/36/920982836.db2.gz XZLOAMWUYPHELI-WDEREUQCSA-N 1 1 322.369 -1.371 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001376586104 920984566 /nfs/dbraw/zinc/98/45/66/920984566.db2.gz XIUUTSARYGKCLD-GHMZBOCLSA-N 1 1 312.374 -1.198 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1 ZINC001376594607 920988119 /nfs/dbraw/zinc/98/81/19/920988119.db2.gz BSLFFLHEJZFZGR-CMPLNLGQSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001376591298 920988159 /nfs/dbraw/zinc/98/81/59/920988159.db2.gz OSINUVYKESJWDC-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)C2=CCOCC2)C1 ZINC001376592756 920988384 /nfs/dbraw/zinc/98/83/84/920988384.db2.gz UVEQLTOSKRZFDM-QWHCGFSZSA-N 1 1 311.382 -1.122 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376615722 920992515 /nfs/dbraw/zinc/99/25/15/920992515.db2.gz PARLMHBWOHVYLT-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001376621083 920992337 /nfs/dbraw/zinc/99/23/37/920992337.db2.gz HEVKPZZRWDKYNL-MNOVXSKESA-N 1 1 313.402 -1.122 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376615722 920992507 /nfs/dbraw/zinc/99/25/07/920992507.db2.gz PARLMHBWOHVYLT-JTQLQIEISA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001376619762 920994291 /nfs/dbraw/zinc/99/42/91/920994291.db2.gz QXMXMWSSWZYJNK-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001376629913 920996672 /nfs/dbraw/zinc/99/66/72/920996672.db2.gz LTXSSDIZLXUOSZ-RYUDHWBXSA-N 1 1 300.403 -1.245 20 0 DAADMO Cc1nonc1C(=O)NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001376639563 921001429 /nfs/dbraw/zinc/00/14/29/921001429.db2.gz BPERRWCUYOCCHS-SNVBAGLBSA-N 1 1 313.358 -1.075 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001376639996 921003070 /nfs/dbraw/zinc/00/30/70/921003070.db2.gz DWNODHZVRXXGLT-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001376639996 921003085 /nfs/dbraw/zinc/00/30/85/921003085.db2.gz DWNODHZVRXXGLT-UWVGGRQHSA-N 1 1 312.374 -1.402 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC001376651758 921004597 /nfs/dbraw/zinc/00/45/97/921004597.db2.gz AVSCHSPMWKXQCK-SECBINFHSA-N 1 1 308.342 -1.893 20 0 DAADMO O=C(NC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC001376651758 921004606 /nfs/dbraw/zinc/00/46/06/921004606.db2.gz AVSCHSPMWKXQCK-SECBINFHSA-N 1 1 308.342 -1.893 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001376648229 921004795 /nfs/dbraw/zinc/00/47/95/921004795.db2.gz AWXNWDUVMLINRV-OGBGREFGSA-N 1 1 305.400 -1.649 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1ncn[nH]1 ZINC001376651760 921005942 /nfs/dbraw/zinc/00/59/42/921005942.db2.gz AVSCHSPMWKXQCK-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO O=C(NC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)c1nc[nH]n1 ZINC001376651760 921005954 /nfs/dbraw/zinc/00/59/54/921005954.db2.gz AVSCHSPMWKXQCK-VIFPVBQESA-N 1 1 308.342 -1.893 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CC1 ZINC001376660128 921007432 /nfs/dbraw/zinc/00/74/32/921007432.db2.gz WDNRUNYHFIVQNH-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CC1 ZINC001376660128 921007443 /nfs/dbraw/zinc/00/74/43/921007443.db2.gz WDNRUNYHFIVQNH-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 ZINC001376656918 921009316 /nfs/dbraw/zinc/00/93/16/921009316.db2.gz FDGIORRRSMTJBM-TVEHIPJCSA-N 1 1 311.382 -1.291 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001376727554 921021494 /nfs/dbraw/zinc/02/14/94/921021494.db2.gz UKNHLSLSWARQAH-MNOVXSKESA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001376727554 921021510 /nfs/dbraw/zinc/02/15/10/921021510.db2.gz UKNHLSLSWARQAH-MNOVXSKESA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001376741754 921023085 /nfs/dbraw/zinc/02/30/85/921023085.db2.gz XFERWXGSRBUXIP-QMMMGPOBSA-N 1 1 301.372 -1.546 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nonc1C ZINC001376748188 921023781 /nfs/dbraw/zinc/02/37/81/921023781.db2.gz UGZMECJJXGJGJT-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001376760374 921026583 /nfs/dbraw/zinc/02/65/83/921026583.db2.gz POESSAPCLXHSRA-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1ncnn1C ZINC001376762409 921027537 /nfs/dbraw/zinc/02/75/37/921027537.db2.gz SSIVZTLKPJFLPG-VIFPVBQESA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001376796659 921030363 /nfs/dbraw/zinc/03/03/63/921030363.db2.gz DDZASRNKGIWSGH-DTWKUNHWSA-N 1 1 323.357 -1.916 20 0 DAADMO C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001376807166 921032875 /nfs/dbraw/zinc/03/28/75/921032875.db2.gz CHLNGFCQKQHQSV-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001376807526 921033323 /nfs/dbraw/zinc/03/33/23/921033323.db2.gz CHLNGFCQKQHQSV-DTWKUNHWSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001376808853 921034041 /nfs/dbraw/zinc/03/40/41/921034041.db2.gz PTEZQGPRABWKFS-ZJUUUORDSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1nccnc1N ZINC001376808853 921034054 /nfs/dbraw/zinc/03/40/54/921034054.db2.gz PTEZQGPRABWKFS-ZJUUUORDSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001376821965 921035418 /nfs/dbraw/zinc/03/54/18/921035418.db2.gz HLEZCWGRBOYCDF-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001376821965 921035432 /nfs/dbraw/zinc/03/54/32/921035432.db2.gz HLEZCWGRBOYCDF-ZJUUUORDSA-N 1 1 310.358 -1.504 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CC(=O)N1CCOCC1 ZINC001376836432 921037584 /nfs/dbraw/zinc/03/75/84/921037584.db2.gz FEIPKMCBBYBQJI-SNVBAGLBSA-N 1 1 310.358 -1.700 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001376836272 921038930 /nfs/dbraw/zinc/03/89/30/921038930.db2.gz JMRGBIWUGBVHSF-LBPRGKRZSA-N 1 1 324.385 -1.390 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CNC(=O)CCn2cnnn2)n1 ZINC001376842718 921039664 /nfs/dbraw/zinc/03/96/64/921039664.db2.gz YYCIOURDZNRTOC-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CCO[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001376845476 921039796 /nfs/dbraw/zinc/03/97/96/921039796.db2.gz XNZJCPFUXSEKER-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001376842429 921040316 /nfs/dbraw/zinc/04/03/16/921040316.db2.gz TXXKMXPWIGTTOL-CMPLNLGQSA-N 1 1 324.385 -1.343 20 0 DAADMO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1)C(N)=O ZINC001376848876 921042279 /nfs/dbraw/zinc/04/22/79/921042279.db2.gz DJHNWPHRPUGEKA-WDEREUQCSA-N 1 1 324.385 -1.182 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001377358117 921810151 /nfs/dbraw/zinc/81/01/51/921810151.db2.gz SZCOOOZUWCAONR-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001377358117 921810159 /nfs/dbraw/zinc/81/01/59/921810159.db2.gz SZCOOOZUWCAONR-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1nc(=O)n(C)[nH]1 ZINC001377364004 921810582 /nfs/dbraw/zinc/81/05/82/921810582.db2.gz FNWNAXOCXJXTAQ-LLVKDONJSA-N 1 1 310.402 -1.002 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001377403374 921811962 /nfs/dbraw/zinc/81/19/62/921811962.db2.gz MPMSTJOSFAQERM-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001377403374 921811972 /nfs/dbraw/zinc/81/19/72/921811972.db2.gz MPMSTJOSFAQERM-SECBINFHSA-N 1 1 321.403 -2.633 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398538 921813629 /nfs/dbraw/zinc/81/36/29/921813629.db2.gz FPPDFOHQQIWRDH-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001377398538 921813641 /nfs/dbraw/zinc/81/36/41/921813641.db2.gz FPPDFOHQQIWRDH-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCF)C(N)=O ZINC001377406858 921813783 /nfs/dbraw/zinc/81/37/83/921813783.db2.gz QYPJMMABEWZSTB-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCF)C(N)=O ZINC001377406858 921813791 /nfs/dbraw/zinc/81/37/91/921813791.db2.gz QYPJMMABEWZSTB-QWRGUYRKSA-N 1 1 302.350 -1.083 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001377393693 921813908 /nfs/dbraw/zinc/81/39/08/921813908.db2.gz PCQXSEBPUGLWFI-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001377425221 921815122 /nfs/dbraw/zinc/81/51/22/921815122.db2.gz NHMWLPVEYZVLMG-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001377425221 921815133 /nfs/dbraw/zinc/81/51/33/921815133.db2.gz NHMWLPVEYZVLMG-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416886 921815247 /nfs/dbraw/zinc/81/52/47/921815247.db2.gz PAAHLDXPPRQFIL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)NC ZINC001377416886 921815257 /nfs/dbraw/zinc/81/52/57/921815257.db2.gz PAAHLDXPPRQFIL-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001377417513 921816143 /nfs/dbraw/zinc/81/61/43/921816143.db2.gz SFLBMFXTHSQOAO-NSHDSACASA-N 1 1 312.370 -1.109 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377420377 921816436 /nfs/dbraw/zinc/81/64/36/921816436.db2.gz GJCRTZVLVZXCPF-ONGXEEELSA-N 1 1 324.385 -1.429 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001377420368 921818042 /nfs/dbraw/zinc/81/80/42/921818042.db2.gz GJCRTZVLVZXCPF-MWLCHTKSSA-N 1 1 324.385 -1.429 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)Cn1cnnn1 ZINC001377432284 921818172 /nfs/dbraw/zinc/81/81/72/921818172.db2.gz VBDHZKQLQQMISM-UWVGGRQHSA-N 1 1 320.357 -1.104 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001377447388 921820234 /nfs/dbraw/zinc/82/02/34/921820234.db2.gz OSXDKQGOECNSOM-WDEREUQCSA-N 1 1 322.431 -1.487 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001377447383 921820313 /nfs/dbraw/zinc/82/03/13/921820313.db2.gz OSXDKQGOECNSOM-MNOVXSKESA-N 1 1 322.431 -1.487 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001377443361 921820572 /nfs/dbraw/zinc/82/05/72/921820572.db2.gz YDAJKDPATVEEFO-VHSXEESVSA-N 1 1 314.342 -1.965 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001377448073 921820960 /nfs/dbraw/zinc/82/09/60/921820960.db2.gz NTOQRXNIMWPWLR-CMPLNLGQSA-N 1 1 314.386 -1.942 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001377436871 921821339 /nfs/dbraw/zinc/82/13/39/921821339.db2.gz OENHKLGBHVYNQN-ZJUUUORDSA-N 1 1 320.415 -1.810 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377441296 921821396 /nfs/dbraw/zinc/82/13/96/921821396.db2.gz DWKPIMSHBZULFK-VXGBXAGGSA-N 1 1 323.397 -2.255 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001377436436 921821683 /nfs/dbraw/zinc/82/16/83/921821683.db2.gz NDTFLMRLXKEDLR-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001377444924 921822229 /nfs/dbraw/zinc/82/22/29/921822229.db2.gz ZTZJNKXFFFPVND-NWDGAFQWSA-N 1 1 324.381 -1.634 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001377445411 921822250 /nfs/dbraw/zinc/82/22/50/921822250.db2.gz IXKZQFDXOBGTOA-NSHDSACASA-N 1 1 324.385 -1.892 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377474349 921823407 /nfs/dbraw/zinc/82/34/07/921823407.db2.gz ICDZKKUHXUJQER-VIFPVBQESA-N 1 1 308.342 -1.035 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001377459665 921823675 /nfs/dbraw/zinc/82/36/75/921823675.db2.gz ILIVTUHYLNQPSQ-GHMZBOCLSA-N 1 1 312.370 -1.253 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001377465075 921825310 /nfs/dbraw/zinc/82/53/10/921825310.db2.gz SDKLOAUUJYGRLE-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001377465075 921825323 /nfs/dbraw/zinc/82/53/23/921825323.db2.gz SDKLOAUUJYGRLE-VIFPVBQESA-N 1 1 324.341 -1.033 20 0 DAADMO CCC[N@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)NC ZINC001377505778 921826472 /nfs/dbraw/zinc/82/64/72/921826472.db2.gz YYHQEDVOQUMNAW-UHFFFAOYSA-N 1 1 322.369 -1.237 20 0 DAADMO CCC[N@@H+](CCNC(=O)c1nccnc1C(N)=O)CC(=O)NC ZINC001377505778 921826485 /nfs/dbraw/zinc/82/64/85/921826485.db2.gz YYHQEDVOQUMNAW-UHFFFAOYSA-N 1 1 322.369 -1.237 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCC[N@H+](CCO)C1CC1 ZINC001377526804 921829771 /nfs/dbraw/zinc/82/97/71/921829771.db2.gz DWSMVGSIXPLOQV-UHFFFAOYSA-N 1 1 305.400 -1.405 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001377529660 921830273 /nfs/dbraw/zinc/83/02/73/921830273.db2.gz WGNRCLASSPUWEA-WDEREUQCSA-N 1 1 301.343 -1.317 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001377540550 921830980 /nfs/dbraw/zinc/83/09/80/921830980.db2.gz CVFDFZTZSARVBB-NXEZZACHSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001377530156 921832012 /nfs/dbraw/zinc/83/20/12/921832012.db2.gz UKBLSNDGRWVMTC-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001377530156 921832024 /nfs/dbraw/zinc/83/20/24/921832024.db2.gz UKBLSNDGRWVMTC-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(NC(N)=O)CC1 ZINC001377551765 921834201 /nfs/dbraw/zinc/83/42/01/921834201.db2.gz QIHMWMJSENOBNC-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001377547084 921834653 /nfs/dbraw/zinc/83/46/53/921834653.db2.gz LJIUVWPOMINSBJ-VIFPVBQESA-N 1 1 310.358 -1.754 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001377548015 921835991 /nfs/dbraw/zinc/83/59/91/921835991.db2.gz MKBYXIGXQNFMNH-RKDXNWHRSA-N 1 1 314.342 -2.088 20 0 DAADMO O=C(NCC[N@@H+](CCn1cncn1)C1CC1)[C@@H]1CNC(=O)N1 ZINC001377555245 921836287 /nfs/dbraw/zinc/83/62/87/921836287.db2.gz REGMJKLTPHTAAR-NSHDSACASA-N 1 1 307.358 -1.460 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001377561501 921839044 /nfs/dbraw/zinc/83/90/44/921839044.db2.gz UWQXQNSHLYLQFQ-JTQLQIEISA-N 1 1 324.385 -1.364 20 0 DAADMO Cc1nnc(CC(=O)N(C)CC[NH2+][C@H](C)c2nnnn2C)[nH]1 ZINC001377578540 921841217 /nfs/dbraw/zinc/84/12/17/921841217.db2.gz OGKMLQKWUVWIEV-MRVPVSSYSA-N 1 1 307.362 -1.012 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C ZINC001377588274 921841966 /nfs/dbraw/zinc/84/19/66/921841966.db2.gz FVZUUWNVMRDQEJ-VHSXEESVSA-N 1 1 300.363 -1.020 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(N)=O)c1nnnn1C ZINC001377606541 921844834 /nfs/dbraw/zinc/84/48/34/921844834.db2.gz XVDQOZIJEMARJU-UWVGGRQHSA-N 1 1 324.389 -1.138 20 0 DAADMO C[C@H]([NH2+][C@@H](CNC(=O)Cn1cnnn1)c1ccccc1)C(N)=O ZINC001377607956 921846335 /nfs/dbraw/zinc/84/63/35/921846335.db2.gz JNGRFJKDMABHEC-JQWIXIFHSA-N 1 1 317.353 -1.006 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001377633926 921846468 /nfs/dbraw/zinc/84/64/68/921846468.db2.gz LDGCQMLARBWQKA-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001377633926 921846473 /nfs/dbraw/zinc/84/64/73/921846473.db2.gz LDGCQMLARBWQKA-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)[C@@H]1CCNC1=O ZINC001377639446 921847525 /nfs/dbraw/zinc/84/75/25/921847525.db2.gz LNJDDVYSMFRNQO-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001377656096 921848905 /nfs/dbraw/zinc/84/89/05/921848905.db2.gz MKHNSUNUQPGFLN-VIFPVBQESA-N 1 1 323.357 -1.156 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001377656096 921848910 /nfs/dbraw/zinc/84/89/10/921848910.db2.gz MKHNSUNUQPGFLN-VIFPVBQESA-N 1 1 323.357 -1.156 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001377637685 921849474 /nfs/dbraw/zinc/84/94/74/921849474.db2.gz OLKUYJKKTQWRMO-TXEJJXNPSA-N 1 1 319.427 -1.065 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001377676455 921849532 /nfs/dbraw/zinc/84/95/32/921849532.db2.gz WHCWEYGCTWSJFB-MNOVXSKESA-N 1 1 309.374 -1.235 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377690383 921851571 /nfs/dbraw/zinc/85/15/71/921851571.db2.gz HFJXNNLSHWEWOP-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CS(=O)(=O)NCCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001377689166 921851924 /nfs/dbraw/zinc/85/19/24/921851924.db2.gz BSFYVFIMWYQQPD-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001377700906 921852386 /nfs/dbraw/zinc/85/23/86/921852386.db2.gz PVUJXIHRDAXMBW-LBPRGKRZSA-N 1 1 314.386 -1.941 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001377712071 921853430 /nfs/dbraw/zinc/85/34/30/921853430.db2.gz WFFBYJRYZOKHMI-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001377688072 921853492 /nfs/dbraw/zinc/85/34/92/921853492.db2.gz DPIHTBRYXUCANU-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCN1CCN(CC(N)=O)CC1 ZINC001377733644 921855714 /nfs/dbraw/zinc/85/57/14/921855714.db2.gz OWUOEAXDHSJBSY-UHFFFAOYSA-N 1 1 313.446 -1.111 20 0 DAADMO O=C(Cn1cncn1)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001377722950 921856548 /nfs/dbraw/zinc/85/65/48/921856548.db2.gz SXLDUMJVISXVPV-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001377762312 921858470 /nfs/dbraw/zinc/85/84/70/921858470.db2.gz NJICANSUIUJUEZ-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO COCCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)nn1 ZINC001377758390 921858995 /nfs/dbraw/zinc/85/89/95/921858995.db2.gz OPUQDZUUCBYUES-NSHDSACASA-N 1 1 324.385 -1.196 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377749156 921859162 /nfs/dbraw/zinc/85/91/62/921859162.db2.gz BTRRGHWZLSZZNM-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001377770310 921859386 /nfs/dbraw/zinc/85/93/86/921859386.db2.gz RHHMMUIZNZBJRV-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001377768796 921859497 /nfs/dbraw/zinc/85/94/97/921859497.db2.gz XPDVOAIDHSCNBT-LBPRGKRZSA-N 1 1 321.381 -1.101 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)C[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001377770341 921859856 /nfs/dbraw/zinc/85/98/56/921859856.db2.gz RHHMMUIZNZBJRV-ZYHUDNBSSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001377765880 921860037 /nfs/dbraw/zinc/86/00/37/921860037.db2.gz JVTHGVJQTNCAPL-SNVBAGLBSA-N 1 1 309.374 -1.283 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001377745254 921860377 /nfs/dbraw/zinc/86/03/77/921860377.db2.gz BJDVENIANZISLR-STQMWFEESA-N 1 1 312.414 -1.027 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001377745313 921860894 /nfs/dbraw/zinc/86/08/94/921860894.db2.gz BQLAFJAKVFAFRO-ZYHUDNBSSA-N 1 1 314.386 -1.022 20 0 DAADMO C[C@@H](NC(=O)CCn1ccnn1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001377781311 921863398 /nfs/dbraw/zinc/86/33/98/921863398.db2.gz KOQZENPXRCLBIS-NXEZZACHSA-N 1 1 307.362 -1.125 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001377816111 921867098 /nfs/dbraw/zinc/86/70/98/921867098.db2.gz IGSLMVUZLJIMDT-RKDXNWHRSA-N 1 1 319.387 -1.289 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001377829046 921867705 /nfs/dbraw/zinc/86/77/05/921867705.db2.gz FNOMQGMZJWSIHI-IJLUTSLNSA-N 1 1 314.386 -1.402 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCF)C1 ZINC001377845012 921867834 /nfs/dbraw/zinc/86/78/34/921867834.db2.gz OBQYJUSCQKGHHX-JTQLQIEISA-N 1 1 310.395 -1.020 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377882324 921873144 /nfs/dbraw/zinc/87/31/44/921873144.db2.gz RMJKHRMJWDOGGV-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001377880551 921873551 /nfs/dbraw/zinc/87/35/51/921873551.db2.gz JNPHBJHJHNLHIW-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001377885550 921875976 /nfs/dbraw/zinc/87/59/76/921875976.db2.gz RTUMIHNWGYOYJV-LLVKDONJSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001377917215 921881742 /nfs/dbraw/zinc/88/17/42/921881742.db2.gz MYEVMEWMUGOBQV-BDAKNGLRSA-N 1 1 319.387 -1.056 20 0 DAADMO COC[C@@H](O)CN1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001377928412 921882350 /nfs/dbraw/zinc/88/23/50/921882350.db2.gz RXOWUGHMUJOWNE-ZDUSSCGKSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377939645 921883395 /nfs/dbraw/zinc/88/33/95/921883395.db2.gz MMEVQQIUOLGEQP-QWRGUYRKSA-N 1 1 309.370 -1.096 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ncc[nH]1 ZINC001377939645 921883408 /nfs/dbraw/zinc/88/34/08/921883408.db2.gz MMEVQQIUOLGEQP-QWRGUYRKSA-N 1 1 309.370 -1.096 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001377939664 921883605 /nfs/dbraw/zinc/88/36/05/921883605.db2.gz YFGOZZXTFHVIPT-MRVPVSSYSA-N 1 1 308.342 -1.425 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CCn1cnnn1 ZINC001377941347 921884167 /nfs/dbraw/zinc/88/41/67/921884167.db2.gz RTURVFUTCLMBQO-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CCN(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001377945389 921887409 /nfs/dbraw/zinc/88/74/09/921887409.db2.gz XXECSTQLCOFUEZ-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001377945389 921887423 /nfs/dbraw/zinc/88/74/23/921887423.db2.gz XXECSTQLCOFUEZ-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CNC(=O)C3CC3)C2)C1=O ZINC001377963005 921889426 /nfs/dbraw/zinc/88/94/26/921889426.db2.gz ZCGLRMKUFSVFSJ-LBPRGKRZSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001377959582 921890156 /nfs/dbraw/zinc/89/01/56/921890156.db2.gz PRYQBMQZUFLRKC-SNVBAGLBSA-N 1 1 313.358 -2.440 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001377959582 921890168 /nfs/dbraw/zinc/89/01/68/921890168.db2.gz PRYQBMQZUFLRKC-SNVBAGLBSA-N 1 1 313.358 -2.440 20 0 DAADMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CN(C)C(=O)COC)C1 ZINC001377969670 921890764 /nfs/dbraw/zinc/89/07/64/921890764.db2.gz HTLTTWVNAHTUOG-NSHDSACASA-N 1 1 314.386 -1.597 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001377988141 921894364 /nfs/dbraw/zinc/89/43/64/921894364.db2.gz ORBOLHVYXCEJEF-LLVKDONJSA-N 1 1 311.386 -2.270 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001378008609 921897059 /nfs/dbraw/zinc/89/70/59/921897059.db2.gz QLBMRIYYJNRSJZ-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378008609 921897069 /nfs/dbraw/zinc/89/70/69/921897069.db2.gz QLBMRIYYJNRSJZ-BDAKNGLRSA-N 1 1 302.331 -1.967 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001378009536 921897151 /nfs/dbraw/zinc/89/71/51/921897151.db2.gz RVFCLQAPGBRHPZ-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001378009536 921897160 /nfs/dbraw/zinc/89/71/60/921897160.db2.gz RVFCLQAPGBRHPZ-SECBINFHSA-N 1 1 315.374 -1.643 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1ccnn1C ZINC001378004395 921897196 /nfs/dbraw/zinc/89/71/96/921897196.db2.gz QRGVNTIUOYMJBZ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnn1C ZINC001378004395 921897203 /nfs/dbraw/zinc/89/72/03/921897203.db2.gz QRGVNTIUOYMJBZ-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001377993984 921897593 /nfs/dbraw/zinc/89/75/93/921897593.db2.gz YHNWBEALWABNMR-YUMQZZPRSA-N 1 1 301.347 -1.858 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)CCNC(N)=O)C1)C1CC1 ZINC001378016528 921898388 /nfs/dbraw/zinc/89/83/88/921898388.db2.gz SHTXKMYTHBFLGE-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001378042595 921903304 /nfs/dbraw/zinc/90/33/04/921903304.db2.gz MOHPTPVVGOWNRR-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001378042595 921903316 /nfs/dbraw/zinc/90/33/16/921903316.db2.gz MOHPTPVVGOWNRR-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001378042597 921903668 /nfs/dbraw/zinc/90/36/68/921903668.db2.gz MOHPTPVVGOWNRR-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001378042597 921903679 /nfs/dbraw/zinc/90/36/79/921903679.db2.gz MOHPTPVVGOWNRR-NSHDSACASA-N 1 1 311.390 -1.118 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)N1 ZINC001378043525 921904399 /nfs/dbraw/zinc/90/43/99/921904399.db2.gz PYPUMFOVBCVBAV-OHTBPHCPSA-N 1 1 311.382 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CCC(=O)N1 ZINC001378043525 921904409 /nfs/dbraw/zinc/90/44/09/921904409.db2.gz PYPUMFOVBCVBAV-OHTBPHCPSA-N 1 1 311.382 -1.053 20 0 DAADMO COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COC ZINC001378041121 921904539 /nfs/dbraw/zinc/90/45/39/921904539.db2.gz KNQMOOKQOOVZQZ-ZDEQEGDKSA-N 1 1 302.371 -1.060 20 0 DAADMO COC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COC ZINC001378041121 921904553 /nfs/dbraw/zinc/90/45/53/921904553.db2.gz KNQMOOKQOOVZQZ-ZDEQEGDKSA-N 1 1 302.371 -1.060 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001378050611 921906019 /nfs/dbraw/zinc/90/60/19/921906019.db2.gz DCJFJLWMXNUXRK-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001378057606 921907867 /nfs/dbraw/zinc/90/78/67/921907867.db2.gz ZLPNYWFNDQCMAL-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001378057606 921907885 /nfs/dbraw/zinc/90/78/85/921907885.db2.gz ZLPNYWFNDQCMAL-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001378054484 921908155 /nfs/dbraw/zinc/90/81/55/921908155.db2.gz BPCBDBDWWCNDHN-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO CC[C@@H](C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1)OC ZINC001378070131 921908503 /nfs/dbraw/zinc/90/85/03/921908503.db2.gz LJZMLVCYCSQZHJ-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001378057015 921908648 /nfs/dbraw/zinc/90/86/48/921908648.db2.gz WVUGZHNYQWTIEJ-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001378056202 921909575 /nfs/dbraw/zinc/90/95/75/921909575.db2.gz URJHISZZBLJCAV-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378056202 921909582 /nfs/dbraw/zinc/90/95/82/921909582.db2.gz URJHISZZBLJCAV-DTWKUNHWSA-N 1 1 313.358 -1.904 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001378059432 921909603 /nfs/dbraw/zinc/90/96/03/921909603.db2.gz HTDYEENIDCAONC-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001378059432 921909614 /nfs/dbraw/zinc/90/96/14/921909614.db2.gz HTDYEENIDCAONC-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001378067276 921910079 /nfs/dbraw/zinc/91/00/79/921910079.db2.gz IBZPWKIKMWTGQP-LADJIXMOSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001378067276 921910086 /nfs/dbraw/zinc/91/00/86/921910086.db2.gz IBZPWKIKMWTGQP-LADJIXMOSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001378084806 921912639 /nfs/dbraw/zinc/91/26/39/921912639.db2.gz LHQLLGAOSLVVMA-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001378087034 921913703 /nfs/dbraw/zinc/91/37/03/921913703.db2.gz FNRYFDDYCDHISG-QWRGUYRKSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001378087034 921913715 /nfs/dbraw/zinc/91/37/15/921913715.db2.gz FNRYFDDYCDHISG-QWRGUYRKSA-N 1 1 319.365 -1.124 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)C1 ZINC001378090146 921913857 /nfs/dbraw/zinc/91/38/57/921913857.db2.gz TZPJRGXGNVELLE-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001378090234 921914745 /nfs/dbraw/zinc/91/47/45/921914745.db2.gz VFRALNPKEVCMDR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001378090234 921914752 /nfs/dbraw/zinc/91/47/52/921914752.db2.gz VFRALNPKEVCMDR-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001378108841 921915683 /nfs/dbraw/zinc/91/56/83/921915683.db2.gz BLUXVBWLLPWPAN-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378108841 921915695 /nfs/dbraw/zinc/91/56/95/921915695.db2.gz BLUXVBWLLPWPAN-SFYZADRCSA-N 1 1 314.346 -2.359 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001378114827 921915902 /nfs/dbraw/zinc/91/59/02/921915902.db2.gz RNNDJFWMGFXEDV-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001378109963 921917682 /nfs/dbraw/zinc/91/76/82/921917682.db2.gz YNMXKISFDKLNKJ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001378109963 921917691 /nfs/dbraw/zinc/91/76/91/921917691.db2.gz YNMXKISFDKLNKJ-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001378114320 921918041 /nfs/dbraw/zinc/91/80/41/921918041.db2.gz DCZUTADWCCYSPB-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@H+](C)CCCS(C)(=O)=O ZINC001378121148 921919958 /nfs/dbraw/zinc/91/99/58/921919958.db2.gz BOCBRGQSOZKEGX-NXEZZACHSA-N 1 1 320.415 -1.461 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCCS(C)(=O)=O ZINC001378121148 921919971 /nfs/dbraw/zinc/91/99/71/921919971.db2.gz BOCBRGQSOZKEGX-NXEZZACHSA-N 1 1 320.415 -1.461 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001378141271 921921636 /nfs/dbraw/zinc/92/16/36/921921636.db2.gz BIPWXUCYDKDLDS-ZYHUDNBSSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@H+](C)CC(N)=O ZINC001378156211 921922590 /nfs/dbraw/zinc/92/25/90/921922590.db2.gz PIFAZWHRDCYHCB-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[N@@H+](C)CC(N)=O ZINC001378156211 921922597 /nfs/dbraw/zinc/92/25/97/921922597.db2.gz PIFAZWHRDCYHCB-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)CCNS(C)(=O)=O ZINC001378152274 921922749 /nfs/dbraw/zinc/92/27/49/921922749.db2.gz ZPVZFDTYAXRBNU-AEJSXWLSSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001378152274 921922758 /nfs/dbraw/zinc/92/27/58/921922758.db2.gz ZPVZFDTYAXRBNU-AEJSXWLSSA-N 1 1 320.415 -1.907 20 0 DAADMO C[C@@H](CNC(=O)C1(n2cnnn2)CCOCC1)[N@@H+](C)CCO ZINC001378142670 921923263 /nfs/dbraw/zinc/92/32/63/921923263.db2.gz AIPUIOYFKYHLMF-NSHDSACASA-N 1 1 312.374 -1.392 20 0 DAADMO CN(C(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378152268 921924036 /nfs/dbraw/zinc/92/40/36/921924036.db2.gz FVDJMFYWKLXRTJ-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO CN(C(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378152268 921924047 /nfs/dbraw/zinc/92/40/47/921924047.db2.gz FVDJMFYWKLXRTJ-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001378189373 921925606 /nfs/dbraw/zinc/92/56/06/921925606.db2.gz HQJVJKXEEUOYMZ-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C(=O)CCNC(N)=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001378189373 921925613 /nfs/dbraw/zinc/92/56/13/921925613.db2.gz HQJVJKXEEUOYMZ-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378171321 921926460 /nfs/dbraw/zinc/92/64/60/921926460.db2.gz RNDMCUZCZGDMBG-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001378173305 921926565 /nfs/dbraw/zinc/92/65/65/921926565.db2.gz BMCRQDPSBDORNQ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001378173305 921926573 /nfs/dbraw/zinc/92/65/73/921926573.db2.gz BMCRQDPSBDORNQ-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378191642 921928106 /nfs/dbraw/zinc/92/81/06/921928106.db2.gz UFBIDVQTCVGMTB-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378191642 921928124 /nfs/dbraw/zinc/92/81/24/921928124.db2.gz UFBIDVQTCVGMTB-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[N@H+](C)CCNS(C)(=O)=O ZINC001378164827 921928303 /nfs/dbraw/zinc/92/83/03/921928303.db2.gz BYTQLSOYAJLUCQ-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001378164827 921928317 /nfs/dbraw/zinc/92/83/17/921928317.db2.gz BYTQLSOYAJLUCQ-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001378171318 921928579 /nfs/dbraw/zinc/92/85/79/921928579.db2.gz RNDMCUZCZGDMBG-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[N@@H+](C)CCCO ZINC001378180619 921928859 /nfs/dbraw/zinc/92/88/59/921928859.db2.gz QONMIHVKUCOVNZ-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001378196606 921930195 /nfs/dbraw/zinc/93/01/95/921930195.db2.gz FUMNQNSMGPLXBJ-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378196606 921930217 /nfs/dbraw/zinc/93/02/17/921930217.db2.gz FUMNQNSMGPLXBJ-MRVPVSSYSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)CC(=O)NC(N)=O ZINC001378196607 921930624 /nfs/dbraw/zinc/93/06/24/921930624.db2.gz FUMNQNSMGPLXBJ-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)CC(=O)NC(N)=O ZINC001378196607 921930637 /nfs/dbraw/zinc/93/06/37/921930637.db2.gz FUMNQNSMGPLXBJ-QMMMGPOBSA-N 1 1 324.341 -1.975 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001378219652 921934137 /nfs/dbraw/zinc/93/41/37/921934137.db2.gz RNESFJHZIAAGFQ-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@H+](C)[C@H](C)C(N)=O ZINC001378221301 921935221 /nfs/dbraw/zinc/93/52/21/921935221.db2.gz PYJIOASIBDYMQD-HTQZYQBOSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[N@@H+](C)[C@H](C)C(N)=O ZINC001378221301 921935228 /nfs/dbraw/zinc/93/52/28/921935228.db2.gz PYJIOASIBDYMQD-HTQZYQBOSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[N@H+](C)CC(=O)N(C)C ZINC001378223230 921935328 /nfs/dbraw/zinc/93/53/28/921935328.db2.gz SCBJCUNPFHOYBN-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[N@@H+](C)CC(=O)N(C)C ZINC001378223230 921935339 /nfs/dbraw/zinc/93/53/39/921935339.db2.gz SCBJCUNPFHOYBN-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1ncnn1C ZINC001378273727 921940262 /nfs/dbraw/zinc/94/02/62/921940262.db2.gz ZTWWVZFXHRDIRF-SNVBAGLBSA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1nnnn1C ZINC001378264972 921941006 /nfs/dbraw/zinc/94/10/06/921941006.db2.gz UKYCZWGOTJTKTJ-VHSXEESVSA-N 1 1 309.374 -1.137 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@@H]1COC(=O)N1 ZINC001378277188 921943711 /nfs/dbraw/zinc/94/37/11/921943711.db2.gz BMGAJWVTEPSYHF-MNOVXSKESA-N 1 1 313.354 -1.316 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1nonc1C ZINC001378290321 921946953 /nfs/dbraw/zinc/94/69/53/921946953.db2.gz PMVAFJPATBLYDL-NSHDSACASA-N 1 1 324.385 -1.206 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001378310904 921949682 /nfs/dbraw/zinc/94/96/82/921949682.db2.gz QVJMDRLHKZAZOT-GFCCVEGCSA-N 1 1 323.397 -1.121 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001378310905 921951648 /nfs/dbraw/zinc/95/16/48/921951648.db2.gz QVJMDRLHKZAZOT-LBPRGKRZSA-N 1 1 323.397 -1.121 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)c1c[nH]c(=O)cn1 ZINC001378325548 921952938 /nfs/dbraw/zinc/95/29/38/921952938.db2.gz GPILUEQDTCUXPX-LLVKDONJSA-N 1 1 322.365 -1.027 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001378339327 921955990 /nfs/dbraw/zinc/95/59/90/921955990.db2.gz WINKACPZZVIBQD-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001378371842 921958772 /nfs/dbraw/zinc/95/87/72/921958772.db2.gz NWHUEJFTNSGKPF-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001378370144 921959733 /nfs/dbraw/zinc/95/97/33/921959733.db2.gz MMWYXFHQUUUNBG-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001378370146 921959960 /nfs/dbraw/zinc/95/99/60/921959960.db2.gz MMWYXFHQUUUNBG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001378371856 921960344 /nfs/dbraw/zinc/96/03/44/921960344.db2.gz NWHUEJFTNSGKPF-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCN1C(=O)Cn1c[nH+]cc1C ZINC001378376476 921962746 /nfs/dbraw/zinc/96/27/46/921962746.db2.gz HQOMTRPPMSPGBC-LLVKDONJSA-N 1 1 322.369 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001378509883 921971525 /nfs/dbraw/zinc/97/15/25/921971525.db2.gz SGJAEZVXFKYWOY-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001378514195 921972491 /nfs/dbraw/zinc/97/24/91/921972491.db2.gz FADVBBFIMSVMLI-SNVBAGLBSA-N 1 1 317.371 -1.301 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001378555805 921975543 /nfs/dbraw/zinc/97/55/43/921975543.db2.gz MIZTVAJBXHHEJW-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCCNC2=O)C1 ZINC001378564952 921978270 /nfs/dbraw/zinc/97/82/70/921978270.db2.gz XDPXPPHZTCDUGJ-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001378564946 921978942 /nfs/dbraw/zinc/97/89/42/921978942.db2.gz XDPXPPHZTCDUGJ-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[C@H](C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653102 921986803 /nfs/dbraw/zinc/98/68/03/921986803.db2.gz OPODQJQZJSHHHT-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CC[C@H](C[N@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1)OC ZINC001378653102 921986815 /nfs/dbraw/zinc/98/68/15/921986815.db2.gz OPODQJQZJSHHHT-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CCO1 ZINC001378647079 921988640 /nfs/dbraw/zinc/98/86/40/921988640.db2.gz BCJJVPJOKAESJQ-NWDGAFQWSA-N 1 1 310.358 -1.473 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001378676521 921994593 /nfs/dbraw/zinc/99/45/93/921994593.db2.gz BGSJFCMDTNWYRH-XYJRDEOASA-N 1 1 310.398 -1.059 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673494 921995628 /nfs/dbraw/zinc/99/56/28/921995628.db2.gz QBPHEYMKTQJDNE-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001378673494 921995637 /nfs/dbraw/zinc/99/56/37/921995637.db2.gz QBPHEYMKTQJDNE-RYUDHWBXSA-N 1 1 312.374 -1.085 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001378688569 921995800 /nfs/dbraw/zinc/99/58/00/921995800.db2.gz FRWIXISYALOZFH-YFKTTZPYSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001378695487 921997259 /nfs/dbraw/zinc/99/72/59/921997259.db2.gz AMNRMIVGUBTMJX-WISYIIOYSA-N 1 1 323.397 -1.512 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@@H]2C1 ZINC001378700724 921997728 /nfs/dbraw/zinc/99/77/28/921997728.db2.gz PTWSUIQBUVTOHU-FIQHERPVSA-N 1 1 306.370 -1.121 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001378699890 921998008 /nfs/dbraw/zinc/99/80/08/921998008.db2.gz HXXOPQPYUUVUKT-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001378734163 921999630 /nfs/dbraw/zinc/99/96/30/921999630.db2.gz VGQVJOGZHUDLBJ-RTCCRHLQSA-N 1 1 309.370 -2.803 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001378725384 922001270 /nfs/dbraw/zinc/00/12/70/922001270.db2.gz FPLQIGKLCZAJAY-RTCCRHLQSA-N 1 1 319.427 -1.400 20 0 DAADMO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001378782089 922005464 /nfs/dbraw/zinc/00/54/64/922005464.db2.gz DABKOVHMNHFCPT-DTWKUNHWSA-N 1 1 318.403 -1.420 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001378774278 922005977 /nfs/dbraw/zinc/00/59/77/922005977.db2.gz LDWLNEGVPAHPKT-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC001378774283 922007069 /nfs/dbraw/zinc/00/70/69/922007069.db2.gz LDWLNEGVPAHPKT-LBPRGKRZSA-N 1 1 308.382 -1.065 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ncnn2C)C1 ZINC001378770270 922007244 /nfs/dbraw/zinc/00/72/44/922007244.db2.gz RCNFDEWDMKWYEP-CMPLNLGQSA-N 1 1 324.385 -1.343 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)CCNC(N)=O)CC1 ZINC001378790631 922009118 /nfs/dbraw/zinc/00/91/18/922009118.db2.gz GJHHKBLGUBPILA-SNVBAGLBSA-N 1 1 311.386 -1.096 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001378785659 922009819 /nfs/dbraw/zinc/00/98/19/922009819.db2.gz VJTQVVHWUMUTDQ-SNVBAGLBSA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001378800915 922010114 /nfs/dbraw/zinc/01/01/14/922010114.db2.gz WRKXJRAIBYWCGL-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001378913413 922018440 /nfs/dbraw/zinc/01/84/40/922018440.db2.gz ABALUSRTBULSMB-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001378914956 922019654 /nfs/dbraw/zinc/01/96/54/922019654.db2.gz VBJQJZRQWCHIIX-VHSXEESVSA-N 1 1 324.389 -1.534 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001378933360 922020236 /nfs/dbraw/zinc/02/02/36/922020236.db2.gz WOPKHVGMWAJNSU-UHFFFAOYSA-N 1 1 324.385 -1.318 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001378977137 922021310 /nfs/dbraw/zinc/02/13/10/922021310.db2.gz GKZOTRPYFBDTDH-NSHDSACASA-N 1 1 309.374 -1.327 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1C ZINC001378974417 922021712 /nfs/dbraw/zinc/02/17/12/922021712.db2.gz ZNDHSYFVDFIKHN-SNVBAGLBSA-N 1 1 307.362 -1.268 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cnn(C)c1N ZINC001379042686 922025408 /nfs/dbraw/zinc/02/54/08/922025408.db2.gz OSOXPPVZFMDNIL-UHFFFAOYSA-N 1 1 311.346 -1.799 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cnn(C)c1N ZINC001379042686 922025419 /nfs/dbraw/zinc/02/54/19/922025419.db2.gz OSOXPPVZFMDNIL-UHFFFAOYSA-N 1 1 311.346 -1.799 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379022359 922026003 /nfs/dbraw/zinc/02/60/03/922026003.db2.gz HBWUUYBQCURUKI-NWDGAFQWSA-N 1 1 321.385 -1.177 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001379044781 922026026 /nfs/dbraw/zinc/02/60/26/922026026.db2.gz ZWOWXIKBBNLNRW-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001379044781 922026036 /nfs/dbraw/zinc/02/60/36/922026036.db2.gz ZWOWXIKBBNLNRW-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001379013349 922026380 /nfs/dbraw/zinc/02/63/80/922026380.db2.gz NGBWFBRZRORUOG-LLVKDONJSA-N 1 1 319.373 -1.021 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@H+](C)[C@@H]1CCCNC1=O ZINC001379036469 922026542 /nfs/dbraw/zinc/02/65/42/922026542.db2.gz FHNXQLHOONSLSN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001379036469 922026552 /nfs/dbraw/zinc/02/65/52/922026552.db2.gz FHNXQLHOONSLSN-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](C[NH2+]Cc1cn(C)nn1)C1CC1 ZINC001379022357 922026812 /nfs/dbraw/zinc/02/68/12/922026812.db2.gz HBWUUYBQCURUKI-NEPJUHHUSA-N 1 1 321.385 -1.177 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001379035724 922027289 /nfs/dbraw/zinc/02/72/89/922027289.db2.gz VUFHEOUKSLWTCQ-QMMMGPOBSA-N 1 1 316.362 -2.111 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001379035724 922027291 /nfs/dbraw/zinc/02/72/91/922027291.db2.gz VUFHEOUKSLWTCQ-QMMMGPOBSA-N 1 1 316.362 -2.111 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001379052988 922028993 /nfs/dbraw/zinc/02/89/93/922028993.db2.gz JVLODTGZTTYHJB-RYUDHWBXSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)c1nnn(C)n1 ZINC001379079888 922029035 /nfs/dbraw/zinc/02/90/35/922029035.db2.gz WRDUPJPZMGAKLX-NSHDSACASA-N 1 1 322.373 -1.529 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001379075535 922030286 /nfs/dbraw/zinc/03/02/86/922030286.db2.gz MINNYQLLIYIQCH-JTQLQIEISA-N 1 1 321.381 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001379075535 922030302 /nfs/dbraw/zinc/03/03/02/922030302.db2.gz MINNYQLLIYIQCH-JTQLQIEISA-N 1 1 321.381 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379092400 922033533 /nfs/dbraw/zinc/03/35/33/922033533.db2.gz JXTFLWACNMNJPL-LPEHRKFASA-N 1 1 300.359 -1.717 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379092400 922033543 /nfs/dbraw/zinc/03/35/43/922033543.db2.gz JXTFLWACNMNJPL-LPEHRKFASA-N 1 1 300.359 -1.717 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001379082574 922033603 /nfs/dbraw/zinc/03/36/03/922033603.db2.gz IXKLJZAPTCGHML-BDAKNGLRSA-N 1 1 313.358 -1.917 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001379082574 922033615 /nfs/dbraw/zinc/03/36/15/922033615.db2.gz IXKLJZAPTCGHML-BDAKNGLRSA-N 1 1 313.358 -1.917 20 0 DAADMO C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1nnnn1C ZINC001379090744 922033714 /nfs/dbraw/zinc/03/37/14/922033714.db2.gz FNISUSFGQUHSML-MRVPVSSYSA-N 1 1 307.362 -1.224 20 0 DAADMO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001379082228 922034612 /nfs/dbraw/zinc/03/46/12/922034612.db2.gz KWEUFFPCUOTQOC-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001379082228 922034625 /nfs/dbraw/zinc/03/46/25/922034625.db2.gz KWEUFFPCUOTQOC-GHMZBOCLSA-N 1 1 310.416 -1.183 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001379082593 922035251 /nfs/dbraw/zinc/03/52/51/922035251.db2.gz IXKLJZAPTCGHML-IUCAKERBSA-N 1 1 313.358 -1.917 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001379082593 922035257 /nfs/dbraw/zinc/03/52/57/922035257.db2.gz IXKLJZAPTCGHML-IUCAKERBSA-N 1 1 313.358 -1.917 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379128575 922038329 /nfs/dbraw/zinc/03/83/29/922038329.db2.gz CXBLAICLCXENKT-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001379128575 922038345 /nfs/dbraw/zinc/03/83/45/922038345.db2.gz CXBLAICLCXENKT-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC001379133386 922038553 /nfs/dbraw/zinc/03/85/53/922038553.db2.gz WSWLXWBXSVWNFP-NSHDSACASA-N 1 1 307.416 -1.038 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)c2)n1 ZINC001379156949 922040679 /nfs/dbraw/zinc/04/06/79/922040679.db2.gz AHHSJFYOMZETTN-GFCCVEGCSA-N 1 1 307.358 -1.088 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001379151237 922041458 /nfs/dbraw/zinc/04/14/58/922041458.db2.gz AWJMZLGOFAHLIE-SNVBAGLBSA-N 1 1 312.374 -1.369 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)[nH]n1 ZINC001379160117 922042460 /nfs/dbraw/zinc/04/24/60/922042460.db2.gz AVDFNUDZOJRAMC-NSHDSACASA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001379169573 922047113 /nfs/dbraw/zinc/04/71/13/922047113.db2.gz XQAKCWCNHLFMSB-ONGXEEELSA-N 1 1 324.385 -1.137 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2 ZINC001379170614 922047413 /nfs/dbraw/zinc/04/74/13/922047413.db2.gz MCILUKLBGAFINP-VHSXEESVSA-N 1 1 313.358 -1.590 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cccn1C)c1nnnn1C ZINC001379170857 922048180 /nfs/dbraw/zinc/04/81/80/922048180.db2.gz OLRFVGZAFRFHGU-VHSXEESVSA-N 1 1 307.358 -1.010 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1 ZINC001379170373 922049499 /nfs/dbraw/zinc/04/94/99/922049499.db2.gz LRGBECOHAYUYHM-QWRGUYRKSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)[nH]1 ZINC001379169560 922050475 /nfs/dbraw/zinc/05/04/75/922050475.db2.gz XQAKCWCNHLFMSB-KOLCDFICSA-N 1 1 324.385 -1.137 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001379182532 922051910 /nfs/dbraw/zinc/05/19/10/922051910.db2.gz ORCULMGMBBJPNI-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnc(CNC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001379182532 922051923 /nfs/dbraw/zinc/05/19/23/922051923.db2.gz ORCULMGMBBJPNI-GHMZBOCLSA-N 1 1 313.358 -1.725 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379176145 922052020 /nfs/dbraw/zinc/05/20/20/922052020.db2.gz UCWIXCJLZBCSIN-BDAKNGLRSA-N 1 1 314.346 -1.701 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001379176147 922052202 /nfs/dbraw/zinc/05/22/02/922052202.db2.gz UCWIXCJLZBCSIN-DTWKUNHWSA-N 1 1 314.346 -1.701 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001379176152 922052510 /nfs/dbraw/zinc/05/25/10/922052510.db2.gz UCWIXCJLZBCSIN-RKDXNWHRSA-N 1 1 314.346 -1.701 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1)c1nnnn1C ZINC001379190399 922055058 /nfs/dbraw/zinc/05/50/58/922055058.db2.gz PRWVVDPIZJIXAM-BDAKNGLRSA-N 1 1 308.346 -1.615 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001379185085 922055352 /nfs/dbraw/zinc/05/53/52/922055352.db2.gz JXTUYAFQESJBDB-NSHDSACASA-N 1 1 309.370 -1.122 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001379188703 922055463 /nfs/dbraw/zinc/05/54/63/922055463.db2.gz KPVOITULQVTGKS-ZYHUDNBSSA-N 1 1 324.385 -1.609 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c1)c1nnnn1C ZINC001379190472 922055831 /nfs/dbraw/zinc/05/58/31/922055831.db2.gz QGSWGIIXPZMEKW-GXSJLCMTSA-N 1 1 307.358 -1.010 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379185062 922056680 /nfs/dbraw/zinc/05/66/80/922056680.db2.gz JRVMAUAFQRJOFV-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cn(C)cn1)c1nnnn1C ZINC001379190407 922057317 /nfs/dbraw/zinc/05/73/17/922057317.db2.gz PRWVVDPIZJIXAM-RKDXNWHRSA-N 1 1 308.346 -1.615 20 0 DAADMO Cc1cnccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379197701 922059329 /nfs/dbraw/zinc/05/93/29/922059329.db2.gz ORUAPPTXFAXSCV-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CN2CCOCC2)no1 ZINC001379195003 922059918 /nfs/dbraw/zinc/05/99/18/922059918.db2.gz IWQPNRSCPHQIRB-ZDUSSCGKSA-N 1 1 312.370 -1.118 20 0 DAADMO O=C(CO[C@@H]1CCOC1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001379200625 922064156 /nfs/dbraw/zinc/06/41/56/922064156.db2.gz XVOFIWSWCKLDCW-GHMZBOCLSA-N 1 1 300.315 -1.558 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)cnn1 ZINC001379198822 922064452 /nfs/dbraw/zinc/06/44/52/922064452.db2.gz GETMHVBTVNBZJY-SNVBAGLBSA-N 1 1 306.330 -1.811 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001379203548 922066369 /nfs/dbraw/zinc/06/63/69/922066369.db2.gz BRKSCIDIROOPPD-RKDXNWHRSA-N 1 1 317.371 -2.080 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001379204437 922067439 /nfs/dbraw/zinc/06/74/39/922067439.db2.gz HWSWAGAEDNYQTG-NXEZZACHSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001379204441 922067549 /nfs/dbraw/zinc/06/75/49/922067549.db2.gz HWSWAGAEDNYQTG-ZJUUUORDSA-N 1 1 311.342 -1.529 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001379204645 922067655 /nfs/dbraw/zinc/06/76/55/922067655.db2.gz GTNOTZDYSPXDAQ-RQJHMYQMSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cnn[nH]1 ZINC001379203544 922068143 /nfs/dbraw/zinc/06/81/43/922068143.db2.gz BRKSCIDIROOPPD-DTWKUNHWSA-N 1 1 317.371 -2.080 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001379203667 922068219 /nfs/dbraw/zinc/06/82/19/922068219.db2.gz GMVNOYLVIIWVPT-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2CS(=O)(=O)C2)n1 ZINC001379205145 922069404 /nfs/dbraw/zinc/06/94/04/922069404.db2.gz FWAYVLWZISXNKY-SNVBAGLBSA-N 1 1 317.371 -2.574 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)o1 ZINC001379207020 922070349 /nfs/dbraw/zinc/07/03/49/922070349.db2.gz OWEBBMQYIWPVRJ-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001379206981 922070963 /nfs/dbraw/zinc/07/09/63/922070963.db2.gz LOIQJDUECHFHAS-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001379205651 922071277 /nfs/dbraw/zinc/07/12/77/922071277.db2.gz MVZNSXBMNZYXKA-VHSXEESVSA-N 1 1 322.373 -1.306 20 0 DAADMO Cc1nc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)co1 ZINC001379205662 922072098 /nfs/dbraw/zinc/07/20/98/922072098.db2.gz ZICRFZAXKYNDCD-VXNVDRBHSA-N 1 1 309.330 -1.052 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001379205586 922072628 /nfs/dbraw/zinc/07/26/28/922072628.db2.gz YYAXGGPLTGBNBX-SNVBAGLBSA-N 1 1 309.330 -1.373 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001379206413 922073126 /nfs/dbraw/zinc/07/31/26/922073126.db2.gz KAEBCBJTIRBEHB-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001379205998 922073356 /nfs/dbraw/zinc/07/33/56/922073356.db2.gz FVIOTTSRFGHDRE-SSDOTTSWSA-N 1 1 304.301 -1.178 20 0 DAADMO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001379207651 922074576 /nfs/dbraw/zinc/07/45/76/922074576.db2.gz NMVHUWPIQSNFOU-VHSXEESVSA-N 1 1 312.374 -1.258 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001379213899 922080133 /nfs/dbraw/zinc/08/01/33/922080133.db2.gz DDCKYUGMFHPZCC-NSHDSACASA-N 1 1 323.357 -1.294 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001379226211 922081558 /nfs/dbraw/zinc/08/15/58/922081558.db2.gz KYJYMDOUZSMNGJ-MRVPVSSYSA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001379228590 922085906 /nfs/dbraw/zinc/08/59/06/922085906.db2.gz IXTDIFHWOJGMES-QMMMGPOBSA-N 1 1 307.314 -2.221 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001379238919 922088712 /nfs/dbraw/zinc/08/87/12/922088712.db2.gz GCNDFPNMMTVIQL-MXWKQRLJSA-N 1 1 310.358 -2.014 20 0 DAADMO Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001379238258 922088819 /nfs/dbraw/zinc/08/88/19/922088819.db2.gz CPWNWACEWZRQEJ-JTQLQIEISA-N 1 1 308.342 -1.260 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001379236004 922089700 /nfs/dbraw/zinc/08/97/00/922089700.db2.gz APDKQDHVFHHZRR-NSHDSACASA-N 1 1 323.357 -1.294 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)on1 ZINC001379233599 922089824 /nfs/dbraw/zinc/08/98/24/922089824.db2.gz UGVYTMKUYMCQQC-ZJUUUORDSA-N 1 1 319.383 -1.017 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O)on1 ZINC001379233591 922089953 /nfs/dbraw/zinc/08/99/53/922089953.db2.gz UGVYTMKUYMCQQC-NXEZZACHSA-N 1 1 319.383 -1.017 20 0 DAADMO Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)C1=NC(=O)N(C)C1 ZINC001379238259 922090106 /nfs/dbraw/zinc/09/01/06/922090106.db2.gz CPWNWACEWZRQEJ-SNVBAGLBSA-N 1 1 308.342 -1.260 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001379235994 922090161 /nfs/dbraw/zinc/09/01/61/922090161.db2.gz APDKQDHVFHHZRR-LLVKDONJSA-N 1 1 323.357 -1.294 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2c[nH]c(=O)cn2)nn1 ZINC001379233814 922090671 /nfs/dbraw/zinc/09/06/71/922090671.db2.gz RENDGQCIBPVDPL-SNVBAGLBSA-N 1 1 321.341 -1.738 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001379240242 922092094 /nfs/dbraw/zinc/09/20/94/922092094.db2.gz CWSWRCBUQNNFCJ-VIFPVBQESA-N 1 1 308.346 -1.867 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379243822 922092420 /nfs/dbraw/zinc/09/24/20/922092420.db2.gz LWOPYVIQBHWYDF-VIFPVBQESA-N 1 1 321.341 -1.500 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379244451 922092650 /nfs/dbraw/zinc/09/26/50/922092650.db2.gz MMWZQRFNSFBZDH-DCQANWLSSA-N 1 1 322.369 -1.533 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCNC(=O)CC2)nn1 ZINC001379240172 922093541 /nfs/dbraw/zinc/09/35/41/922093541.db2.gz YQSYYEZROJWJMF-JQWIXIFHSA-N 1 1 324.385 -1.702 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)n1C ZINC001379239871 922094106 /nfs/dbraw/zinc/09/41/06/922094106.db2.gz HSIZSAFJDWEFRR-JTQLQIEISA-N 1 1 320.353 -1.606 20 0 DAADMO COc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001379255040 922100667 /nfs/dbraw/zinc/10/06/67/922100667.db2.gz GLHXWIBVMBMAID-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001379255677 922100926 /nfs/dbraw/zinc/10/09/26/922100926.db2.gz HPRVFCYTGKWCMS-LLVKDONJSA-N 1 1 322.373 -1.303 20 0 DAADMO COc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001379257452 922100973 /nfs/dbraw/zinc/10/09/73/922100973.db2.gz NBNVQUQFSFGTCJ-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)c2cnn(C)n2)n1 ZINC001379255992 922101586 /nfs/dbraw/zinc/10/15/86/922101586.db2.gz SXEUOYLZJIRNGP-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2ncc[nH]2)n1 ZINC001379252301 922101819 /nfs/dbraw/zinc/10/18/19/922101819.db2.gz ANCRDCHZDBNTDH-NSHDSACASA-N 1 1 307.358 -1.170 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001379260800 922103575 /nfs/dbraw/zinc/10/35/75/922103575.db2.gz IOZANRJDUULOJB-SNVBAGLBSA-N 1 1 322.373 -1.214 20 0 DAADMO CC(C)n1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001379260797 922105089 /nfs/dbraw/zinc/10/50/89/922105089.db2.gz IOZANRJDUULOJB-JTQLQIEISA-N 1 1 322.373 -1.214 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)N1CCOCC1 ZINC001379261719 922105637 /nfs/dbraw/zinc/10/56/37/922105637.db2.gz OFEQTVPGNMSNFB-SECBINFHSA-N 1 1 312.330 -2.656 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)N1CCOCC1 ZINC001379261719 922105647 /nfs/dbraw/zinc/10/56/47/922105647.db2.gz OFEQTVPGNMSNFB-SECBINFHSA-N 1 1 312.330 -2.656 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001379272930 922107727 /nfs/dbraw/zinc/10/77/27/922107727.db2.gz FVCNCHNDZWKAIX-SECBINFHSA-N 1 1 308.346 -1.949 20 0 DAADMO C[C@@H](CN(C)C(=O)Cc1ncn[nH]1)[NH2+]CCS(C)(=O)=O ZINC001379266001 922108045 /nfs/dbraw/zinc/10/80/45/922108045.db2.gz OXNMIBWPVMKKHC-VIFPVBQESA-N 1 1 303.388 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001379264090 922109792 /nfs/dbraw/zinc/10/97/92/922109792.db2.gz URVCBGKQCXKIFZ-ZWNOBZJWSA-N 1 1 312.374 -1.407 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)[nH]1 ZINC001379277803 922111373 /nfs/dbraw/zinc/11/13/73/922111373.db2.gz OWVUQIZZXAFHFY-ZJUUUORDSA-N 1 1 322.373 -1.214 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001379278357 922111770 /nfs/dbraw/zinc/11/17/70/922111770.db2.gz QCJOLBNLYQFTKC-JTQLQIEISA-N 1 1 308.346 -1.844 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001379278359 922111797 /nfs/dbraw/zinc/11/17/97/922111797.db2.gz QCJOLBNLYQFTKC-SNVBAGLBSA-N 1 1 308.346 -1.844 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CCN1CCCC1=O ZINC001379281681 922113492 /nfs/dbraw/zinc/11/34/92/922113492.db2.gz FEMMCZWSBPAHEY-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)c1cnn(C)c1 ZINC001379281334 922113550 /nfs/dbraw/zinc/11/35/50/922113550.db2.gz CHXZMQXGUIKVGA-GWCFXTLKSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1)c1nnnn1C ZINC001379286800 922116153 /nfs/dbraw/zinc/11/61/53/922116153.db2.gz KTEIRBNCNYFHRD-DTWKUNHWSA-N 1 1 308.346 -1.615 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001379293348 922118397 /nfs/dbraw/zinc/11/83/97/922118397.db2.gz PYFZDUGGISIUNE-GXSJLCMTSA-N 1 1 319.383 -1.078 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001379293358 922118787 /nfs/dbraw/zinc/11/87/87/922118787.db2.gz PYFZDUGGISIUNE-ONGXEEELSA-N 1 1 319.383 -1.078 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN[C@@H](C)c1nnnn1C ZINC001379293877 922119138 /nfs/dbraw/zinc/11/91/38/922119138.db2.gz PONOQUIAZBDMTG-WDEREUQCSA-N 1 1 313.406 -1.322 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)n(C)c1=O ZINC001379292732 922119865 /nfs/dbraw/zinc/11/98/65/922119865.db2.gz NLBDTCYKDSVSCS-VIFPVBQESA-N 1 1 310.314 -2.013 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2ccnc2)nn1 ZINC001379293014 922120166 /nfs/dbraw/zinc/12/01/66/922120166.db2.gz OZBVNXDLWOWVMN-LBPRGKRZSA-N 1 1 307.358 -1.239 20 0 DAADMO C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1cnon1 ZINC001379313247 922122366 /nfs/dbraw/zinc/12/23/66/922122366.db2.gz NSCVUXCRDNWABX-SECBINFHSA-N 1 1 319.387 -1.103 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccccc1 ZINC001379346691 922130093 /nfs/dbraw/zinc/13/00/93/922130093.db2.gz CJGWXQHGQCHXFY-CYBMUJFWSA-N 1 1 322.365 -1.172 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)C2=COCCO2)n1 ZINC001379355197 922130436 /nfs/dbraw/zinc/13/04/36/922130436.db2.gz FVPHPTDQNUHFLA-LLVKDONJSA-N 1 1 324.337 -1.060 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001379354418 922130875 /nfs/dbraw/zinc/13/08/75/922130875.db2.gz JTJHJYDYNOYGDQ-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001379356461 922134094 /nfs/dbraw/zinc/13/40/94/922134094.db2.gz APIBRONLVPIDLJ-LLVKDONJSA-N 1 1 307.358 -1.642 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CNC(=O)C2CC2)nn1C ZINC001379361744 922134754 /nfs/dbraw/zinc/13/47/54/922134754.db2.gz LBUUVOSDVVUVIE-CYBMUJFWSA-N 1 1 323.397 -1.179 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001379363617 922135621 /nfs/dbraw/zinc/13/56/21/922135621.db2.gz RLGUEHXRSPXXQM-CBAPKCEASA-N 1 1 301.372 -1.371 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)c1ccc(=O)[nH]n1 ZINC001379366497 922135783 /nfs/dbraw/zinc/13/57/83/922135783.db2.gz VZTSCQVJZAOMEE-ZETCQYMHSA-N 1 1 310.339 -1.086 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCNC(=O)C2)cn1 ZINC001379366313 922137011 /nfs/dbraw/zinc/13/70/11/922137011.db2.gz IQXVNWDLIAZHRB-YPMHNXCESA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1c(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nnn1C ZINC001379373825 922143305 /nfs/dbraw/zinc/14/33/05/922143305.db2.gz MLDAZOONQNTHJH-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379376430 922143679 /nfs/dbraw/zinc/14/36/79/922143679.db2.gz XKMDFYJFSJWRIW-AAEUAGOBSA-N 1 1 312.414 -1.232 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001379375940 922144093 /nfs/dbraw/zinc/14/40/93/922144093.db2.gz RZGZQQWJXGSJIA-GXTWGEPZSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC001379378203 922144612 /nfs/dbraw/zinc/14/46/12/922144612.db2.gz YZGKDFFUULZGRR-KBPBESRZSA-N 1 1 323.397 -1.318 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001379383792 922147647 /nfs/dbraw/zinc/14/76/47/922147647.db2.gz QNXKRDAPZALULO-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)C1 ZINC001379390550 922147715 /nfs/dbraw/zinc/14/77/15/922147715.db2.gz NWPGRHFWINVXFL-LLVKDONJSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)CN1CCCNC1=O ZINC001379395846 922150998 /nfs/dbraw/zinc/15/09/98/922150998.db2.gz LIAVRNTUYNUMOK-NXEZZACHSA-N 1 1 324.389 -1.219 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001379393982 922152302 /nfs/dbraw/zinc/15/23/02/922152302.db2.gz GKMUJYFYFBOSBC-VIFPVBQESA-N 1 1 313.362 -2.299 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001379395442 922152334 /nfs/dbraw/zinc/15/23/34/922152334.db2.gz IUPSXTRLURHIIC-KXUCPTDWSA-N 1 1 315.374 -2.412 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001379395442 922152339 /nfs/dbraw/zinc/15/23/39/922152339.db2.gz IUPSXTRLURHIIC-KXUCPTDWSA-N 1 1 315.374 -2.412 20 0 DAADMO COc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)ncn1 ZINC001379396514 922154392 /nfs/dbraw/zinc/15/43/92/922154392.db2.gz LGJGSOWBFKOZPP-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO COc1cc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)nn1C ZINC001379397143 922155287 /nfs/dbraw/zinc/15/52/87/922155287.db2.gz GYAMCZNRMYVZDT-MRVPVSSYSA-N 1 1 308.346 -1.140 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379407831 922157556 /nfs/dbraw/zinc/15/75/56/922157556.db2.gz OUAFDBOYGKWYLJ-GHMZBOCLSA-N 1 1 309.370 -1.535 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379407832 922157969 /nfs/dbraw/zinc/15/79/69/922157969.db2.gz OUAFDBOYGKWYLJ-MNOVXSKESA-N 1 1 309.370 -1.535 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)CN1CCOCC1)c1cnccn1 ZINC001379404330 922159106 /nfs/dbraw/zinc/15/91/06/922159106.db2.gz SUTSJIBVSOPKGN-OLZOCXBDSA-N 1 1 323.397 -1.064 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001379407732 922159199 /nfs/dbraw/zinc/15/91/99/922159199.db2.gz DBZADXKSXATGSK-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O)C1CCC1 ZINC001379410087 922162127 /nfs/dbraw/zinc/16/21/27/922162127.db2.gz KADCQCFNQSCIJG-DGCLKSJQSA-N 1 1 312.414 -1.184 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)N[C@@H]1CCCNC1=O)C1CCC1 ZINC001379410087 922162136 /nfs/dbraw/zinc/16/21/36/922162136.db2.gz KADCQCFNQSCIJG-DGCLKSJQSA-N 1 1 312.414 -1.184 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)n[nH]1 ZINC001379410064 922162581 /nfs/dbraw/zinc/16/25/81/922162581.db2.gz ZJIXWCRTYRDBSD-VHSXEESVSA-N 1 1 310.358 -1.999 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001379422147 922164361 /nfs/dbraw/zinc/16/43/61/922164361.db2.gz NOCYSKGTCFKQAQ-SFYZADRCSA-N 1 1 318.403 -1.355 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001379419417 922165790 /nfs/dbraw/zinc/16/57/90/922165790.db2.gz BRAGAWHVEDKOLS-ADEWGFFLSA-N 1 1 324.385 -1.075 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001379430579 922170542 /nfs/dbraw/zinc/17/05/42/922170542.db2.gz YVEPLJRSDCPNRE-ONGXEEELSA-N 1 1 314.390 -1.337 20 0 DAADMO C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379429734 922170774 /nfs/dbraw/zinc/17/07/74/922170774.db2.gz WRZRXSJYSZEMAQ-RQJHMYQMSA-N 1 1 312.355 -1.270 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001379428929 922171422 /nfs/dbraw/zinc/17/14/22/922171422.db2.gz WRJBKISDTHJAHU-RYUDHWBXSA-N 1 1 323.397 -1.145 20 0 DAADMO O=C(NC[C@@H](CO)N[C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001379433632 922174609 /nfs/dbraw/zinc/17/46/09/922174609.db2.gz LCAQJEBGCSBLJM-STQMWFEESA-N 1 1 324.425 -1.040 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379436644 922175406 /nfs/dbraw/zinc/17/54/06/922175406.db2.gz YLXCROHLKOLMRG-MRVPVSSYSA-N 1 1 319.387 -1.008 20 0 DAADMO Cc1nnc(CN[C@@H](CO)CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001379438054 922177707 /nfs/dbraw/zinc/17/77/07/922177707.db2.gz CMJCAYIUPRYDGA-LLVKDONJSA-N 1 1 307.358 -1.115 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCNC(=O)CC2)n1 ZINC001379453066 922180675 /nfs/dbraw/zinc/18/06/75/922180675.db2.gz XTANNJLVAUGLHG-WCQYABFASA-N 1 1 323.397 -1.097 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001379460298 922183739 /nfs/dbraw/zinc/18/37/39/922183739.db2.gz MEWZRRQOHMJLAZ-MRVPVSSYSA-N 1 1 321.341 -1.478 20 0 DAADMO Cn1c(=O)[nH]cc1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001379463702 922183817 /nfs/dbraw/zinc/18/38/17/922183817.db2.gz LKMLHCBNHNPCOE-ZETCQYMHSA-N 1 1 312.355 -1.142 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CN2CCNC(=O)C2)n1 ZINC001379463865 922183989 /nfs/dbraw/zinc/18/39/89/922183989.db2.gz LQLMQTRQGCXJRL-LBPRGKRZSA-N 1 1 324.385 -2.581 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@]2(C)CCC(=O)N2)nn1C ZINC001379463760 922184249 /nfs/dbraw/zinc/18/42/49/922184249.db2.gz AXEDUYJFRPWIPH-WFASDCNBSA-N 1 1 323.397 -1.036 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC(=O)N2C)nn1C ZINC001379459066 922185614 /nfs/dbraw/zinc/18/56/14/922185614.db2.gz CEFPWTARXAGEMP-OLZOCXBDSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379468040 922187224 /nfs/dbraw/zinc/18/72/24/922187224.db2.gz FTVROSYALIYJAY-SRVKXCTJSA-N 1 1 300.403 -1.471 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379468040 922187231 /nfs/dbraw/zinc/18/72/31/922187231.db2.gz FTVROSYALIYJAY-SRVKXCTJSA-N 1 1 300.403 -1.471 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379468254 922189625 /nfs/dbraw/zinc/18/96/25/922189625.db2.gz KEMMQKZVKNUWRY-VIFPVBQESA-N 1 1 308.342 -1.260 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)=NC1=O ZINC001379472689 922192452 /nfs/dbraw/zinc/19/24/52/922192452.db2.gz YTIAGFPKOYGOKU-JTQLQIEISA-N 1 1 322.369 -1.218 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001379476337 922192589 /nfs/dbraw/zinc/19/25/89/922192589.db2.gz JLOGMQKUKIPQPX-QWRGUYRKSA-N 1 1 323.353 -1.662 20 0 DAADMO CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CCc2c[nH]nn2)C1=O ZINC001379474436 922192821 /nfs/dbraw/zinc/19/28/21/922192821.db2.gz DIKCHJBYQBTGRK-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001379476339 922193219 /nfs/dbraw/zinc/19/32/19/922193219.db2.gz JLOGMQKUKIPQPX-WDEREUQCSA-N 1 1 323.353 -1.662 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001379482280 922195522 /nfs/dbraw/zinc/19/55/22/922195522.db2.gz VNOCOAUMWMATJI-MRVPVSSYSA-N 1 1 324.366 -1.190 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001379494361 922199323 /nfs/dbraw/zinc/19/93/23/922199323.db2.gz CKAXIARAXVWZNI-JQWIXIFHSA-N 1 1 311.386 -1.257 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001379483492 922200022 /nfs/dbraw/zinc/20/00/22/922200022.db2.gz ZNLWFPWJDCGLHX-NSHDSACASA-N 1 1 322.373 -1.857 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)CCn1cnnn1 ZINC001379499490 922202795 /nfs/dbraw/zinc/20/27/95/922202795.db2.gz ZAURHCBIVQIJHK-LLVKDONJSA-N 1 1 309.330 -1.373 20 0 DAADMO CCC[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001379504038 922206890 /nfs/dbraw/zinc/20/68/90/922206890.db2.gz RVONOXKMXYMFAS-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H]1CCN(C)C1=O ZINC001379504038 922206904 /nfs/dbraw/zinc/20/69/04/922206904.db2.gz RVONOXKMXYMFAS-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379506309 922207868 /nfs/dbraw/zinc/20/78/68/922207868.db2.gz PUPZYBMJGPAWPI-ONGXEEELSA-N 1 1 310.358 -1.857 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001379524348 922214828 /nfs/dbraw/zinc/21/48/28/922214828.db2.gz IHERJQXBDJJZBF-MRVPVSSYSA-N 1 1 322.412 -1.741 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379526714 922218144 /nfs/dbraw/zinc/21/81/44/922218144.db2.gz KNWKIPWQZZJSCW-RYUDHWBXSA-N 1 1 300.403 -1.471 20 0 DAADMO CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379526714 922218156 /nfs/dbraw/zinc/21/81/56/922218156.db2.gz KNWKIPWQZZJSCW-RYUDHWBXSA-N 1 1 300.403 -1.471 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001379524352 922218191 /nfs/dbraw/zinc/21/81/91/922218191.db2.gz IHERJQXBDJJZBF-QMMMGPOBSA-N 1 1 322.412 -1.741 20 0 DAADMO COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1ccc2[nH]nnc2c1 ZINC001379530409 922219979 /nfs/dbraw/zinc/21/99/79/922219979.db2.gz YLGQLHRGQKYIKX-WDEREUQCSA-N 1 1 323.353 -1.355 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001379532877 922220056 /nfs/dbraw/zinc/22/00/56/922220056.db2.gz QLUXEUOVMDZPAI-VHSXEESVSA-N 1 1 309.374 -1.084 20 0 DAADMO CCc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1C ZINC001379530122 922220948 /nfs/dbraw/zinc/22/09/48/922220948.db2.gz CRCGLFSWKPCQGX-SNVBAGLBSA-N 1 1 321.385 -1.009 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](C)NC(=O)CCn2cnnn2)n1 ZINC001379563960 922224684 /nfs/dbraw/zinc/22/46/84/922224684.db2.gz WBXJPDJUJLAVTQ-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CNC(=O)C1CC1 ZINC001379537131 922225036 /nfs/dbraw/zinc/22/50/36/922225036.db2.gz AAPZBOGQPDWQAI-KOLCDFICSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)CCCS(N)(=O)=O ZINC001379545700 922225395 /nfs/dbraw/zinc/22/53/95/922225395.db2.gz DHNOBPKSYMRMOE-VIFPVBQESA-N 1 1 318.403 -1.522 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnnn1C ZINC001379591735 922230135 /nfs/dbraw/zinc/23/01/35/922230135.db2.gz JTKSIKPHYHRBCP-JGVFFNPUSA-N 1 1 319.391 -2.085 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@@H]1C ZINC001379594912 922232977 /nfs/dbraw/zinc/23/29/77/922232977.db2.gz ZXYJLSOOHYMWTE-IUCAKERBSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001379605675 922233236 /nfs/dbraw/zinc/23/32/36/922233236.db2.gz JHLJAKCUQZZDJZ-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001379646452 922234860 /nfs/dbraw/zinc/23/48/60/922234860.db2.gz MXXSFNSXEBJKMB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001379646452 922234867 /nfs/dbraw/zinc/23/48/67/922234867.db2.gz MXXSFNSXEBJKMB-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001379676690 922236170 /nfs/dbraw/zinc/23/61/70/922236170.db2.gz DWMMLOWJWKDYKI-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001379676690 922236184 /nfs/dbraw/zinc/23/61/84/922236184.db2.gz DWMMLOWJWKDYKI-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)Cc1nnc[nH]1 ZINC001379666229 922236376 /nfs/dbraw/zinc/23/63/76/922236376.db2.gz PEUXNNQUOWFHOR-WDEREUQCSA-N 1 1 324.385 -1.263 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@H+](C)CCCS(C)(=O)=O ZINC001379693884 922238903 /nfs/dbraw/zinc/23/89/03/922238903.db2.gz WTZCKXJWWMMLOE-SNVBAGLBSA-N 1 1 322.431 -1.213 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[N@@H+](C)CCCS(C)(=O)=O ZINC001379693884 922238922 /nfs/dbraw/zinc/23/89/22/922238922.db2.gz WTZCKXJWWMMLOE-SNVBAGLBSA-N 1 1 322.431 -1.213 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1=O ZINC001379681850 922239632 /nfs/dbraw/zinc/23/96/32/922239632.db2.gz RJNDNMIHODPKSM-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCOCC1=O ZINC001379681850 922239642 /nfs/dbraw/zinc/23/96/42/922239642.db2.gz RJNDNMIHODPKSM-NSHDSACASA-N 1 1 314.386 -1.630 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001379710277 922240248 /nfs/dbraw/zinc/24/02/48/922240248.db2.gz LODBBJUDYVWKPO-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001379710277 922240260 /nfs/dbraw/zinc/24/02/60/922240260.db2.gz LODBBJUDYVWKPO-VIFPVBQESA-N 1 1 323.419 -2.435 20 0 DAADMO CC(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001379704394 922240563 /nfs/dbraw/zinc/24/05/63/922240563.db2.gz CZXDZGDKHCMGGA-QWRGUYRKSA-N 1 1 319.427 -1.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001379689454 922240612 /nfs/dbraw/zinc/24/06/12/922240612.db2.gz PIUYINXODYNMAA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379689454 922240626 /nfs/dbraw/zinc/24/06/26/922240626.db2.gz PIUYINXODYNMAA-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379740805 922242236 /nfs/dbraw/zinc/24/22/36/922242236.db2.gz JYXCHDYRRVTADG-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001379740805 922242253 /nfs/dbraw/zinc/24/22/53/922242253.db2.gz JYXCHDYRRVTADG-GARJFASQSA-N 1 1 314.386 -1.408 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001379736919 922243224 /nfs/dbraw/zinc/24/32/24/922243224.db2.gz AJRIGBNPJMDYMH-WPRPVWTQSA-N 1 1 308.346 -1.283 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nncs1 ZINC001379737158 922243249 /nfs/dbraw/zinc/24/32/49/922243249.db2.gz BKBSEBQQBVBSMC-MRVPVSSYSA-N 1 1 317.371 -1.197 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001379736913 922244093 /nfs/dbraw/zinc/24/40/93/922244093.db2.gz AJRIGBNPJMDYMH-PSASIEDQSA-N 1 1 308.346 -1.283 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001379754917 922248774 /nfs/dbraw/zinc/24/87/74/922248774.db2.gz FUOIGOISLVBDBD-KOLCDFICSA-N 1 1 322.373 -1.354 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379761463 922249984 /nfs/dbraw/zinc/24/99/84/922249984.db2.gz WZKVGNBTVJAUPS-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379761463 922249997 /nfs/dbraw/zinc/24/99/97/922249997.db2.gz WZKVGNBTVJAUPS-MRVPVSSYSA-N 1 1 311.342 -2.381 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379761830 922250356 /nfs/dbraw/zinc/25/03/56/922250356.db2.gz SXRRIDZTLWJEGP-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)cn1 ZINC001379761831 922250997 /nfs/dbraw/zinc/25/09/97/922250997.db2.gz SXRRIDZTLWJEGP-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001379762574 922251427 /nfs/dbraw/zinc/25/14/27/922251427.db2.gz YMZLTCBWSBPVCK-VHSXEESVSA-N 1 1 312.370 -1.485 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCNC(=O)C2)[nH]1 ZINC001379765696 922251599 /nfs/dbraw/zinc/25/15/99/922251599.db2.gz OFQOWOLARXVTJN-GHMZBOCLSA-N 1 1 324.385 -1.452 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001379763147 922252802 /nfs/dbraw/zinc/25/28/02/922252802.db2.gz KRVFZTQREXLFAS-WDEREUQCSA-N 1 1 300.359 -1.252 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001379760721 922252903 /nfs/dbraw/zinc/25/29/03/922252903.db2.gz PUNKPXTXRSEUDT-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N1CCOCC1)NC(=O)c1cnn(C)n1 ZINC001379760721 922252918 /nfs/dbraw/zinc/25/29/18/922252918.db2.gz PUNKPXTXRSEUDT-LLVKDONJSA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001379761694 922253137 /nfs/dbraw/zinc/25/31/37/922253137.db2.gz RWKJHOIZHVDWCT-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001379758799 922253682 /nfs/dbraw/zinc/25/36/82/922253682.db2.gz FELIKBSVWIQXHC-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001379758799 922253696 /nfs/dbraw/zinc/25/36/96/922253696.db2.gz FELIKBSVWIQXHC-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001379766453 922254168 /nfs/dbraw/zinc/25/41/68/922254168.db2.gz HGLUTAAHWVDSNE-WDEREUQCSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C)n1cncn1 ZINC001379766451 922254875 /nfs/dbraw/zinc/25/48/75/922254875.db2.gz HGLUTAAHWVDSNE-QWRGUYRKSA-N 1 1 322.373 -1.423 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001379770149 922255604 /nfs/dbraw/zinc/25/56/04/922255604.db2.gz UKLOYPCIOUYWNV-SNVBAGLBSA-N 1 1 314.346 -1.920 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1)n1cncn1 ZINC001379772124 922255727 /nfs/dbraw/zinc/25/57/27/922255727.db2.gz SJDUXGDLLKITEU-ONGXEEELSA-N 1 1 309.330 -1.169 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cccnc1 ZINC001379771215 922255991 /nfs/dbraw/zinc/25/59/91/922255991.db2.gz PWRYHKCCXNOYBW-GFCCVEGCSA-N 1 1 319.369 -1.243 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cncnc1 ZINC001379770537 922256562 /nfs/dbraw/zinc/25/65/62/922256562.db2.gz FLVZJZGKWFDGBQ-LBPRGKRZSA-N 1 1 305.342 -1.172 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781570 922258002 /nfs/dbraw/zinc/25/80/02/922258002.db2.gz RZIWRLVPHFVCFT-RKDXNWHRSA-N 1 1 320.353 -1.486 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1nccnc1C(N)=O ZINC001379781570 922258014 /nfs/dbraw/zinc/25/80/14/922258014.db2.gz RZIWRLVPHFVCFT-RKDXNWHRSA-N 1 1 320.353 -1.486 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001379776655 922258037 /nfs/dbraw/zinc/25/80/37/922258037.db2.gz GNNOWLFCZFQLES-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001379776655 922258052 /nfs/dbraw/zinc/25/80/52/922258052.db2.gz GNNOWLFCZFQLES-JTQLQIEISA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001379779349 922258456 /nfs/dbraw/zinc/25/84/56/922258456.db2.gz AFGDHCRAYZQGJI-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001379779349 922258473 /nfs/dbraw/zinc/25/84/73/922258473.db2.gz AFGDHCRAYZQGJI-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2nncn2C)[nH]1 ZINC001379781672 922260270 /nfs/dbraw/zinc/26/02/70/922260270.db2.gz RQOMTMIDAPBASH-SNVBAGLBSA-N 1 1 322.373 -1.607 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)nn1 ZINC001379777354 922261214 /nfs/dbraw/zinc/26/12/14/922261214.db2.gz JNHXNLBBSLKRCC-SECBINFHSA-N 1 1 308.346 -1.834 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncc(C)o1 ZINC001379793386 922262227 /nfs/dbraw/zinc/26/22/27/922262227.db2.gz FHCITRVAWAILLR-SNVBAGLBSA-N 1 1 313.358 -1.179 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379795202 922264609 /nfs/dbraw/zinc/26/46/09/922264609.db2.gz JMUGXFLGUWIOSW-ZYHUDNBSSA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)C(=O)c1cn[nH]n1 ZINC001379798203 922266030 /nfs/dbraw/zinc/26/60/30/922266030.db2.gz DLTZGGRSLPINSB-VIFPVBQESA-N 1 1 321.345 -1.651 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001379806257 922269368 /nfs/dbraw/zinc/26/93/68/922269368.db2.gz YNPDSSWFLSFIBM-VIFPVBQESA-N 1 1 313.362 -2.347 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCC(=O)N1C ZINC001379820130 922273642 /nfs/dbraw/zinc/27/36/42/922273642.db2.gz WLXHUDDCHAVYJJ-WDEREUQCSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1c[nH]nn1 ZINC001379832542 922275652 /nfs/dbraw/zinc/27/56/52/922275652.db2.gz IQDSSFVEMGZANF-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1cnn[nH]1 ZINC001379832542 922275669 /nfs/dbraw/zinc/27/56/69/922275669.db2.gz IQDSSFVEMGZANF-NEPJUHHUSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNCc1nncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829898 922277298 /nfs/dbraw/zinc/27/72/98/922277298.db2.gz XMLYIJZWFMPAQP-VXGBXAGGSA-N 1 1 310.402 -1.182 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379827878 922277495 /nfs/dbraw/zinc/27/74/95/922277495.db2.gz USZQMNPLUNAVMB-ZJUUUORDSA-N 1 1 312.330 -1.998 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)C1 ZINC001379855376 922278527 /nfs/dbraw/zinc/27/85/27/922278527.db2.gz FZMJNFKMXYGRSC-GFCCVEGCSA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)CCn1cncn1)C1CC1 ZINC001379844190 922279478 /nfs/dbraw/zinc/27/94/78/922279478.db2.gz IUMXYKJHTVNMCP-LLVKDONJSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)c1cnn(C)n1 ZINC001379847247 922279593 /nfs/dbraw/zinc/27/95/93/922279593.db2.gz YDUAQFNBKCLLQU-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1CCC(=O)N1 ZINC001379847193 922280348 /nfs/dbraw/zinc/28/03/48/922280348.db2.gz XTRFNAXVCPGNPV-MWLCHTKSSA-N 1 1 311.342 -1.353 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001379844784 922280392 /nfs/dbraw/zinc/28/03/92/922280392.db2.gz QWNPTAFWUYHDJH-NSHDSACASA-N 1 1 313.358 -1.107 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001379865550 922283480 /nfs/dbraw/zinc/28/34/80/922283480.db2.gz ITHBPRXBTZLCDY-NXEZZACHSA-N 1 1 318.374 -1.772 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001379894830 922285973 /nfs/dbraw/zinc/28/59/73/922285973.db2.gz CNDAYBKOGCJFNB-VHSXEESVSA-N 1 1 313.362 -2.312 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897152 922286131 /nfs/dbraw/zinc/28/61/31/922286131.db2.gz IUMUAXVXLDBSAD-NEPJUHHUSA-N 1 1 311.386 -1.231 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001379897152 922286150 /nfs/dbraw/zinc/28/61/50/922286150.db2.gz IUMUAXVXLDBSAD-NEPJUHHUSA-N 1 1 311.386 -1.231 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(C)C ZINC001379882263 922286195 /nfs/dbraw/zinc/28/61/95/922286195.db2.gz GLWQUDYHRKTDNH-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(C)C ZINC001379882263 922286199 /nfs/dbraw/zinc/28/61/99/922286199.db2.gz GLWQUDYHRKTDNH-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379890155 922286869 /nfs/dbraw/zinc/28/68/69/922286869.db2.gz REDMOCHAGWXCDR-MWLCHTKSSA-N 1 1 302.375 -1.992 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379890155 922286888 /nfs/dbraw/zinc/28/68/88/922286888.db2.gz REDMOCHAGWXCDR-MWLCHTKSSA-N 1 1 302.375 -1.992 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001379873087 922286966 /nfs/dbraw/zinc/28/69/66/922286966.db2.gz VELDJFLPHKANQT-BDAKNGLRSA-N 1 1 304.347 -2.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001379870153 922287204 /nfs/dbraw/zinc/28/72/04/922287204.db2.gz ULHSCUZWHRQDRK-SNVBAGLBSA-N 1 1 314.390 -1.241 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379914147 922289612 /nfs/dbraw/zinc/28/96/12/922289612.db2.gz RCIXKEKMRWVXQF-ZJUUUORDSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379914147 922289627 /nfs/dbraw/zinc/28/96/27/922289627.db2.gz RCIXKEKMRWVXQF-ZJUUUORDSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001379909514 922289840 /nfs/dbraw/zinc/28/98/40/922289840.db2.gz MAXVGCCMNIOPFR-VXGBXAGGSA-N 1 1 314.386 -1.208 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907684 922289917 /nfs/dbraw/zinc/28/99/17/922289917.db2.gz IZKBFTDHMGQYTC-CMPLNLGQSA-N 1 1 316.402 -1.650 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379907684 922289933 /nfs/dbraw/zinc/28/99/33/922289933.db2.gz IZKBFTDHMGQYTC-CMPLNLGQSA-N 1 1 316.402 -1.650 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCOC1 ZINC001379919303 922290052 /nfs/dbraw/zinc/29/00/52/922290052.db2.gz WYNDATSZNSNPOI-UWVGGRQHSA-N 1 1 316.358 -2.031 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCOC1 ZINC001379919303 922290066 /nfs/dbraw/zinc/29/00/66/922290066.db2.gz WYNDATSZNSNPOI-UWVGGRQHSA-N 1 1 316.358 -2.031 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911173 922290267 /nfs/dbraw/zinc/29/02/67/922290267.db2.gz MWUNOWQLGNEYQB-UWVGGRQHSA-N 1 1 324.385 -1.442 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001379911173 922290279 /nfs/dbraw/zinc/29/02/79/922290279.db2.gz MWUNOWQLGNEYQB-UWVGGRQHSA-N 1 1 324.385 -1.442 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001379920128 922291293 /nfs/dbraw/zinc/29/12/93/922291293.db2.gz XEMHHIHPNPHARR-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001379906865 922291815 /nfs/dbraw/zinc/29/18/15/922291815.db2.gz HQBIFSYDRWNKBQ-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001379906865 922291827 /nfs/dbraw/zinc/29/18/27/922291827.db2.gz HQBIFSYDRWNKBQ-VIFPVBQESA-N 1 1 315.399 -1.009 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001379909509 922291988 /nfs/dbraw/zinc/29/19/88/922291988.db2.gz MAXVGCCMNIOPFR-RYUDHWBXSA-N 1 1 314.386 -1.208 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001379914145 922292375 /nfs/dbraw/zinc/29/23/75/922292375.db2.gz RCIXKEKMRWVXQF-UWVGGRQHSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001379914145 922292389 /nfs/dbraw/zinc/29/23/89/922292389.db2.gz RCIXKEKMRWVXQF-UWVGGRQHSA-N 1 1 318.374 -1.785 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379914582 922293824 /nfs/dbraw/zinc/29/38/24/922293824.db2.gz FGHGHFYBEHOALT-QWRGUYRKSA-N 1 1 315.374 -1.813 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001379920970 922294362 /nfs/dbraw/zinc/29/43/62/922294362.db2.gz YRSJPGVPQGORDN-SDDRHHMPSA-N 1 1 317.386 -1.977 20 0 DAADMO COCc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001379931373 922294626 /nfs/dbraw/zinc/29/46/26/922294626.db2.gz LMYFPVKTKBWMMY-NSHDSACASA-N 1 1 314.386 -1.077 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379935342 922294991 /nfs/dbraw/zinc/29/49/91/922294991.db2.gz KGHCMCXWORDVAY-RYUDHWBXSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379935342 922295004 /nfs/dbraw/zinc/29/50/04/922295004.db2.gz KGHCMCXWORDVAY-RYUDHWBXSA-N 1 1 322.427 -1.445 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001379922229 922295461 /nfs/dbraw/zinc/29/54/61/922295461.db2.gz ZSFWLPFKWIEPJB-WDEREUQCSA-N 1 1 312.374 -1.664 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001379922229 922295473 /nfs/dbraw/zinc/29/54/73/922295473.db2.gz ZSFWLPFKWIEPJB-WDEREUQCSA-N 1 1 312.374 -1.664 20 0 DAADMO C[C@@H]([NH2+]C[C@H](NC(=O)CCNC(N)=O)C1CC1)c1nnnn1C ZINC001379921903 922295848 /nfs/dbraw/zinc/29/58/48/922295848.db2.gz NNJYNULQKPPANI-SCZZXKLOSA-N 1 1 324.389 -1.186 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001379922211 922296714 /nfs/dbraw/zinc/29/67/14/922296714.db2.gz ZSFWLPFKWIEPJB-GHMZBOCLSA-N 1 1 312.374 -1.664 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001379922211 922296727 /nfs/dbraw/zinc/29/67/27/922296727.db2.gz ZSFWLPFKWIEPJB-GHMZBOCLSA-N 1 1 312.374 -1.664 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)CCn2cnnn2)C2CC2)n1 ZINC001379924891 922296920 /nfs/dbraw/zinc/29/69/20/922296920.db2.gz RSPAFNUSCWTFQA-LBPRGKRZSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCn1cncn1)C(=O)c1cnnn1C ZINC001379926707 922297523 /nfs/dbraw/zinc/29/75/23/922297523.db2.gz UTNILGMOSZFBEE-LLVKDONJSA-N 1 1 322.373 -1.529 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936747 922297738 /nfs/dbraw/zinc/29/77/38/922297738.db2.gz KDKLBYLQMRJSQY-PWSUYJOCSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001379936747 922297753 /nfs/dbraw/zinc/29/77/53/922297753.db2.gz KDKLBYLQMRJSQY-PWSUYJOCSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1cncn1C ZINC001379935356 922297839 /nfs/dbraw/zinc/29/78/39/922297839.db2.gz KHFSWJJXPRCALJ-MNOVXSKESA-N 1 1 309.370 -1.327 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(=O)NC ZINC001379944846 922299010 /nfs/dbraw/zinc/29/90/10/922299010.db2.gz XGSITQXAFMMFEB-NXEZZACHSA-N 1 1 317.390 -2.199 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NC ZINC001379944846 922299021 /nfs/dbraw/zinc/29/90/21/922299021.db2.gz XGSITQXAFMMFEB-NXEZZACHSA-N 1 1 317.390 -2.199 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC1CC1 ZINC001379942044 922299690 /nfs/dbraw/zinc/29/96/90/922299690.db2.gz HKCHMYAKVMNCMU-NSHDSACASA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC001379942044 922299705 /nfs/dbraw/zinc/29/97/05/922299705.db2.gz HKCHMYAKVMNCMU-NSHDSACASA-N 1 1 324.385 -1.244 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001379945031 922299814 /nfs/dbraw/zinc/29/98/14/922299814.db2.gz SXBIEVVAZQWNDC-UWVGGRQHSA-N 1 1 321.399 -2.329 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957324 922300108 /nfs/dbraw/zinc/30/01/08/922300108.db2.gz DIAJLFULJDUHTJ-SFYZADRCSA-N 1 1 301.322 -1.213 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001379957324 922300121 /nfs/dbraw/zinc/30/01/21/922300121.db2.gz DIAJLFULJDUHTJ-SFYZADRCSA-N 1 1 301.322 -1.213 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC ZINC001379944852 922300399 /nfs/dbraw/zinc/30/03/99/922300399.db2.gz XGSITQXAFMMFEB-UWVGGRQHSA-N 1 1 317.390 -2.199 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC ZINC001379944852 922300416 /nfs/dbraw/zinc/30/04/16/922300416.db2.gz XGSITQXAFMMFEB-UWVGGRQHSA-N 1 1 317.390 -2.199 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001379944899 922300446 /nfs/dbraw/zinc/30/04/46/922300446.db2.gz XHEOVNDWDSQYGV-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001379944899 922300461 /nfs/dbraw/zinc/30/04/61/922300461.db2.gz XHEOVNDWDSQYGV-WDEREUQCSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cc(OCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)no1 ZINC001379941063 922300908 /nfs/dbraw/zinc/30/09/08/922300908.db2.gz QYINZZKBBIWFCO-JTQLQIEISA-N 1 1 314.342 -1.402 20 0 DAADMO Cc1cc(OCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)no1 ZINC001379941063 922300919 /nfs/dbraw/zinc/30/09/19/922300919.db2.gz QYINZZKBBIWFCO-JTQLQIEISA-N 1 1 314.342 -1.402 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001379944878 922301298 /nfs/dbraw/zinc/30/12/98/922301298.db2.gz XHEOVNDWDSQYGV-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001379944878 922301308 /nfs/dbraw/zinc/30/13/08/922301308.db2.gz XHEOVNDWDSQYGV-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO COc1ccnc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)c1 ZINC001379943216 922301572 /nfs/dbraw/zinc/30/15/72/922301572.db2.gz MMYDCJVQRYGYIS-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1ccnc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)c1 ZINC001379943216 922301587 /nfs/dbraw/zinc/30/15/87/922301587.db2.gz MMYDCJVQRYGYIS-SNVBAGLBSA-N 1 1 310.354 -1.060 20 0 DAADMO Cc1cc(OCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)no1 ZINC001379941065 922302174 /nfs/dbraw/zinc/30/21/74/922302174.db2.gz QYINZZKBBIWFCO-SNVBAGLBSA-N 1 1 314.342 -1.402 20 0 DAADMO Cc1cc(OCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)no1 ZINC001379941065 922302181 /nfs/dbraw/zinc/30/21/81/922302181.db2.gz QYINZZKBBIWFCO-SNVBAGLBSA-N 1 1 314.342 -1.402 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001379969534 922303559 /nfs/dbraw/zinc/30/35/59/922303559.db2.gz NWKQLIVVQVUKCL-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001379969096 922303632 /nfs/dbraw/zinc/30/36/32/922303632.db2.gz NEHJGHOLNWYNIJ-MWLCHTKSSA-N 1 1 311.342 -1.335 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001379959926 922303743 /nfs/dbraw/zinc/30/37/43/922303743.db2.gz GXNZRDVCTHAJEV-VXGBXAGGSA-N 1 1 324.381 -1.228 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379966117 922303963 /nfs/dbraw/zinc/30/39/63/922303963.db2.gz LAELZVOHMLKJPR-QSLWVIQJSA-N 1 1 316.398 -1.363 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@H+]2CCCO)c1=O ZINC001379962496 922304411 /nfs/dbraw/zinc/30/44/11/922304411.db2.gz KELYEUMMASSEBO-LLVKDONJSA-N 1 1 310.354 -1.880 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001379969517 922305515 /nfs/dbraw/zinc/30/55/15/922305515.db2.gz NOKKCQGGMHPELU-MNOVXSKESA-N 1 1 317.357 -1.357 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1cc(Cl)cn1 ZINC001379964374 922306433 /nfs/dbraw/zinc/30/64/33/922306433.db2.gz OTRSTERUUPAGAE-SNVBAGLBSA-N 1 1 317.777 -1.227 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1cc(Cl)cn1 ZINC001379964374 922306448 /nfs/dbraw/zinc/30/64/48/922306448.db2.gz OTRSTERUUPAGAE-SNVBAGLBSA-N 1 1 317.777 -1.227 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001379966257 922306967 /nfs/dbraw/zinc/30/69/67/922306967.db2.gz DAEGQXZUPLYZKG-NSHDSACASA-N 1 1 311.386 -1.195 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001379966257 922306981 /nfs/dbraw/zinc/30/69/81/922306981.db2.gz DAEGQXZUPLYZKG-NSHDSACASA-N 1 1 311.386 -1.195 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001379974433 922307628 /nfs/dbraw/zinc/30/76/28/922307628.db2.gz VSWOGOOLNIYKLR-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379974621 922307893 /nfs/dbraw/zinc/30/78/93/922307893.db2.gz RPQCRGXJCPLNMC-NWDGAFQWSA-N 1 1 300.403 -1.565 20 0 DAADMO CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001379973689 922307986 /nfs/dbraw/zinc/30/79/86/922307986.db2.gz UHZXTEFYDSLOCV-GFCCVEGCSA-N 1 1 316.402 -2.055 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001379976676 922308580 /nfs/dbraw/zinc/30/85/80/922308580.db2.gz METDAJONUGRIML-SNVBAGLBSA-N 1 1 323.353 -1.208 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379975694 922308620 /nfs/dbraw/zinc/30/86/20/922308620.db2.gz UVBUICYXBSCZKB-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379975694 922308632 /nfs/dbraw/zinc/30/86/32/922308632.db2.gz UVBUICYXBSCZKB-GFCCVEGCSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)c1nnn(C)n1 ZINC001379974376 922308921 /nfs/dbraw/zinc/30/89/21/922308921.db2.gz VOKWKLSQFQKARE-NSHDSACASA-N 1 1 322.373 -1.529 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001379974048 922308961 /nfs/dbraw/zinc/30/89/61/922308961.db2.gz RABGBYWRXUXFIO-ZJUUUORDSA-N 1 1 309.388 -2.579 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001379970096 922309737 /nfs/dbraw/zinc/30/97/37/922309737.db2.gz KTFFJNCDIMLJEP-OLZOCXBDSA-N 1 1 314.430 -1.034 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC001379970096 922309759 /nfs/dbraw/zinc/30/97/59/922309759.db2.gz KTFFJNCDIMLJEP-OLZOCXBDSA-N 1 1 314.430 -1.034 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001379974039 922310845 /nfs/dbraw/zinc/31/08/45/922310845.db2.gz RABGBYWRXUXFIO-UWVGGRQHSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001379982010 922312602 /nfs/dbraw/zinc/31/26/02/922312602.db2.gz KUGRCKLWUIPLHF-VIFPVBQESA-N 1 1 324.403 -2.886 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001379982010 922312618 /nfs/dbraw/zinc/31/26/18/922312618.db2.gz KUGRCKLWUIPLHF-VIFPVBQESA-N 1 1 324.403 -2.886 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001379986260 922313031 /nfs/dbraw/zinc/31/30/31/922313031.db2.gz QJUVICWBOPVRRE-GHMZBOCLSA-N 1 1 320.415 -1.733 20 0 DAADMO CNC(=O)NCC(=O)N(CC[N@H+](C)[C@H](C)C(N)=O)C(C)C ZINC001379999808 922313850 /nfs/dbraw/zinc/31/38/50/922313850.db2.gz CKATVDGUPRQVSM-SNVBAGLBSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N(CC[N@@H+](C)[C@H](C)C(N)=O)C(C)C ZINC001379999808 922313861 /nfs/dbraw/zinc/31/38/61/922313861.db2.gz CKATVDGUPRQVSM-SNVBAGLBSA-N 1 1 301.391 -1.042 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001379985604 922314248 /nfs/dbraw/zinc/31/42/48/922314248.db2.gz XEVQSEJPGLWZBQ-QWHCGFSZSA-N 1 1 323.397 -1.398 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380018481 922317453 /nfs/dbraw/zinc/31/74/53/922317453.db2.gz XEJPKJYQXWDMDH-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001380018479 922318102 /nfs/dbraw/zinc/31/81/02/922318102.db2.gz XEJPKJYQXWDMDH-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001380029413 922318740 /nfs/dbraw/zinc/31/87/40/922318740.db2.gz KPTNCKBKXLGMKT-VXGBXAGGSA-N 1 1 316.402 -1.156 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001380029412 922318999 /nfs/dbraw/zinc/31/89/99/922318999.db2.gz KPTNCKBKXLGMKT-NEPJUHHUSA-N 1 1 316.402 -1.156 20 0 DAADMO O=C(Cn1ncn2nccc2c1=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001380015982 922319044 /nfs/dbraw/zinc/31/90/44/922319044.db2.gz SXDLZTZXRAIICF-NSHDSACASA-N 1 1 320.353 -1.536 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001380017650 922319748 /nfs/dbraw/zinc/31/97/48/922319748.db2.gz MRAQICJTJDNNHT-WDEREUQCSA-N 1 1 310.354 -1.075 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001380014303 922320545 /nfs/dbraw/zinc/32/05/45/922320545.db2.gz MMNNPAXMNZMRPH-RYUDHWBXSA-N 1 1 323.397 -1.048 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001380035552 922321828 /nfs/dbraw/zinc/32/18/28/922321828.db2.gz IOJGZJBTJHDPTO-VHSXEESVSA-N 1 1 323.353 -1.613 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC001380035552 922321843 /nfs/dbraw/zinc/32/18/43/922321843.db2.gz IOJGZJBTJHDPTO-VHSXEESVSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1ncnc1CNC1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001380065500 922323072 /nfs/dbraw/zinc/32/30/72/922323072.db2.gz WSAKBEJESIICKP-NSHDSACASA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1ncnc1CNC1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001380065500 922323081 /nfs/dbraw/zinc/32/30/81/922323081.db2.gz WSAKBEJESIICKP-NSHDSACASA-N 1 1 308.386 -1.116 20 0 DAADMO C[NH+](C)C1(C(=O)NCC2(NCC(=O)NC(N)=O)CC2)CCC1 ZINC001380080171 922323194 /nfs/dbraw/zinc/32/31/94/922323194.db2.gz KKLKXEMVWXHAIG-UHFFFAOYSA-N 1 1 311.386 -1.096 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(C)(C)C ZINC001380078468 922323732 /nfs/dbraw/zinc/32/37/32/922323732.db2.gz KVZJPAIPYWWYEA-UTLUCORTSA-N 1 1 323.401 -1.048 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cnn(C)c1N)[C@@H]1CCNC1=O ZINC001380099298 922329442 /nfs/dbraw/zinc/32/94/42/922329442.db2.gz BKWIYPHNPFRGAI-LLVKDONJSA-N 1 1 324.385 -1.431 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cnn(C)c1N)[C@@H]1CCNC1=O ZINC001380099298 922329456 /nfs/dbraw/zinc/32/94/56/922329456.db2.gz BKWIYPHNPFRGAI-LLVKDONJSA-N 1 1 324.385 -1.431 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1)NC1CCOCC1 ZINC001380113259 922330125 /nfs/dbraw/zinc/33/01/25/922330125.db2.gz GZCFIQPZNGOYOQ-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](O)C(C)C)[C@H]1CCNC1=O ZINC001380118734 922330901 /nfs/dbraw/zinc/33/09/01/922330901.db2.gz XTRPHSIOOYAKDY-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](O)C(C)C)[C@H]1CCNC1=O ZINC001380118734 922330912 /nfs/dbraw/zinc/33/09/12/922330912.db2.gz XTRPHSIOOYAKDY-NWDGAFQWSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCNC1=O ZINC001380115953 922332186 /nfs/dbraw/zinc/33/21/86/922332186.db2.gz LEOWBYAYNPTMNN-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1cn(C)nn1)[C@@H]1CCNC1=O ZINC001380115953 922332201 /nfs/dbraw/zinc/33/22/01/922332201.db2.gz LEOWBYAYNPTMNN-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO C[C@H]([NH2+]C1(CNC(=O)CN2CCCC2)CC1)C(=O)NC(N)=O ZINC001380169132 922337847 /nfs/dbraw/zinc/33/78/47/922337847.db2.gz KZASFZARNBJRBQ-JTQLQIEISA-N 1 1 311.386 -1.096 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)CNC(C)=O)CC1 ZINC001380188747 922338032 /nfs/dbraw/zinc/33/80/32/922338032.db2.gz XIXUQDPQWDDSGV-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N(C)C(=O)CN2CCOCC2=O)C1 ZINC001380227191 922340647 /nfs/dbraw/zinc/34/06/47/922340647.db2.gz CPNJCYPDYLRFTH-LBPRGKRZSA-N 1 1 315.370 -2.005 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001380208713 922341022 /nfs/dbraw/zinc/34/10/22/922341022.db2.gz YSBPAANQCACWJQ-IAQYHMDHSA-N 1 1 323.397 -1.142 20 0 DAADMO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001380252356 922343443 /nfs/dbraw/zinc/34/34/43/922343443.db2.gz RLHRLRXIMCWXFP-SNVBAGLBSA-N 1 1 311.386 -1.334 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N(C)C1C[NH+](CCCF)C1)C(N)=O ZINC001380239890 922343552 /nfs/dbraw/zinc/34/35/52/922343552.db2.gz BMJCOEFUNSXZBM-NSHDSACASA-N 1 1 302.350 -1.131 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380254376 922344188 /nfs/dbraw/zinc/34/41/88/922344188.db2.gz CLTCKCHTJIWPBN-NXEZZACHSA-N 1 1 311.386 -1.336 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNC(=O)Cn2ncnn2)C1 ZINC001380273063 922347267 /nfs/dbraw/zinc/34/72/67/922347267.db2.gz OMCSBRZXSBTIRG-HTAVTVPLSA-N 1 1 321.385 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001380305248 922349252 /nfs/dbraw/zinc/34/92/52/922349252.db2.gz MCFYXCJKCDYHIQ-WDEREUQCSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001380305243 922349574 /nfs/dbraw/zinc/34/95/74/922349574.db2.gz MCFYXCJKCDYHIQ-QWRGUYRKSA-N 1 1 323.397 -1.321 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001380306602 922350309 /nfs/dbraw/zinc/35/03/09/922350309.db2.gz VEGUCYWMHIORTA-NSHDSACASA-N 1 1 323.397 -1.203 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC001380306602 922350326 /nfs/dbraw/zinc/35/03/26/922350326.db2.gz VEGUCYWMHIORTA-NSHDSACASA-N 1 1 323.397 -1.203 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC3)CC2)C1 ZINC001380335273 922350348 /nfs/dbraw/zinc/35/03/48/922350348.db2.gz BTJGFRXZHSTGBU-LBPRGKRZSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C3CC3)CC2)C1 ZINC001380335273 922350366 /nfs/dbraw/zinc/35/03/66/922350366.db2.gz BTJGFRXZHSTGBU-LBPRGKRZSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353058 922354397 /nfs/dbraw/zinc/35/43/97/922354397.db2.gz GMJPSPFNSOYCHX-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001380353058 922354412 /nfs/dbraw/zinc/35/44/12/922354412.db2.gz GMJPSPFNSOYCHX-OQPBUACISA-N 1 1 323.357 -1.407 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001380375015 922356046 /nfs/dbraw/zinc/35/60/46/922356046.db2.gz DJGVTLQTWGYWIW-MFKMUULPSA-N 1 1 309.374 -1.222 20 0 DAADMO COC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001380512283 922361729 /nfs/dbraw/zinc/36/17/29/922361729.db2.gz DAUPIRDQPHOTTM-FZMZJTMJSA-N 1 1 315.370 -1.068 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](CCc2cnn(C)c2)C1 ZINC001380518851 922362113 /nfs/dbraw/zinc/36/21/13/922362113.db2.gz HQDNHMPOGMIXKY-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnnn2C)C1 ZINC001380517193 922364916 /nfs/dbraw/zinc/36/49/16/922364916.db2.gz FJXPQZFLSHZPAR-CYBMUJFWSA-N 1 1 310.358 -1.996 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnnn2C)C1 ZINC001380517193 922364934 /nfs/dbraw/zinc/36/49/34/922364934.db2.gz FJXPQZFLSHZPAR-CYBMUJFWSA-N 1 1 310.358 -1.996 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380527614 922365581 /nfs/dbraw/zinc/36/55/81/922365581.db2.gz STAYLIGSNREMPR-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380527614 922365591 /nfs/dbraw/zinc/36/55/91/922365591.db2.gz STAYLIGSNREMPR-CQSZACIVSA-N 1 1 308.338 -1.300 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001380526685 922365680 /nfs/dbraw/zinc/36/56/80/922365680.db2.gz MRZWLHJVYODYKX-GOMXZESMSA-N 1 1 324.381 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001380526685 922365696 /nfs/dbraw/zinc/36/56/96/922365696.db2.gz MRZWLHJVYODYKX-GOMXZESMSA-N 1 1 324.381 -1.220 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC001380520146 922365822 /nfs/dbraw/zinc/36/58/22/922365822.db2.gz KCHJQFMJJRVZTB-CQSZACIVSA-N 1 1 307.354 -1.191 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn[nH]c2)C1)N1CCC1 ZINC001380520146 922365831 /nfs/dbraw/zinc/36/58/31/922365831.db2.gz KCHJQFMJJRVZTB-CQSZACIVSA-N 1 1 307.354 -1.191 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380531479 922366130 /nfs/dbraw/zinc/36/61/30/922366130.db2.gz FUXJYVVSWWETRG-QPUJVOFHSA-N 1 1 301.347 -2.658 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380531479 922366146 /nfs/dbraw/zinc/36/61/46/922366146.db2.gz FUXJYVVSWWETRG-QPUJVOFHSA-N 1 1 301.347 -2.658 20 0 DAADMO CC(F)(F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380520370 922366648 /nfs/dbraw/zinc/36/66/48/922366648.db2.gz KSDVYZPAEQYJNU-NSHDSACASA-N 1 1 308.285 -1.611 20 0 DAADMO CC(F)(F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380520370 922366657 /nfs/dbraw/zinc/36/66/57/922366657.db2.gz KSDVYZPAEQYJNU-NSHDSACASA-N 1 1 308.285 -1.611 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380521042 922366849 /nfs/dbraw/zinc/36/68/49/922366849.db2.gz LRQZJGUIIQXWNJ-CYBMUJFWSA-N 1 1 300.359 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001380521042 922366863 /nfs/dbraw/zinc/36/68/63/922366863.db2.gz LRQZJGUIIQXWNJ-CYBMUJFWSA-N 1 1 300.359 -2.236 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001380523797 922367466 /nfs/dbraw/zinc/36/74/66/922367466.db2.gz ZXFZIFWWJUBBST-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO COCCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001380523797 922367480 /nfs/dbraw/zinc/36/74/80/922367480.db2.gz ZXFZIFWWJUBBST-ZANVPECISA-N 1 1 316.358 -1.841 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001380530777 922368102 /nfs/dbraw/zinc/36/81/02/922368102.db2.gz GSOAATJGPYUCIE-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001380530777 922368119 /nfs/dbraw/zinc/36/81/19/922368119.db2.gz GSOAATJGPYUCIE-CQSZACIVSA-N 1 1 307.354 -1.302 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001380522047 922368687 /nfs/dbraw/zinc/36/86/87/922368687.db2.gz QGFXVNQSLLDFBW-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001380522047 922368701 /nfs/dbraw/zinc/36/87/01/922368701.db2.gz QGFXVNQSLLDFBW-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)C)C1 ZINC001380524937 922368747 /nfs/dbraw/zinc/36/87/47/922368747.db2.gz ZOEFHDDTIBMIPM-ZDUSSCGKSA-N 1 1 300.359 -1.349 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)C)C1 ZINC001380524937 922368759 /nfs/dbraw/zinc/36/87/59/922368759.db2.gz ZOEFHDDTIBMIPM-ZDUSSCGKSA-N 1 1 300.359 -1.349 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)no1 ZINC001380530150 922368917 /nfs/dbraw/zinc/36/89/17/922368917.db2.gz IBFAWFQUDJYQFA-DOMZBBRYSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1cc(CC(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)no1 ZINC001380530150 922368933 /nfs/dbraw/zinc/36/89/33/922368933.db2.gz IBFAWFQUDJYQFA-DOMZBBRYSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)no1 ZINC001380530152 922369557 /nfs/dbraw/zinc/36/95/57/922369557.db2.gz IBFAWFQUDJYQFA-SWLSCSKDSA-N 1 1 322.365 -1.033 20 0 DAADMO Cc1cc(CC(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)no1 ZINC001380530152 922369575 /nfs/dbraw/zinc/36/95/75/922369575.db2.gz IBFAWFQUDJYQFA-SWLSCSKDSA-N 1 1 322.365 -1.033 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001380521217 922369608 /nfs/dbraw/zinc/36/96/08/922369608.db2.gz ODOOAMBZROBYMJ-KBUNVGBDSA-N 1 1 308.285 -1.612 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C(F)F)C1 ZINC001380521217 922369628 /nfs/dbraw/zinc/36/96/28/922369628.db2.gz ODOOAMBZROBYMJ-KBUNVGBDSA-N 1 1 308.285 -1.612 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380527612 922369845 /nfs/dbraw/zinc/36/98/45/922369845.db2.gz STAYLIGSNREMPR-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001380527612 922369858 /nfs/dbraw/zinc/36/98/58/922369858.db2.gz STAYLIGSNREMPR-AWEZNQCLSA-N 1 1 308.338 -1.300 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001380533587 922370686 /nfs/dbraw/zinc/37/06/86/922370686.db2.gz MBETVLMSRQBCEX-WFASDCNBSA-N 1 1 323.397 -1.221 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001380533501 922371135 /nfs/dbraw/zinc/37/11/35/922371135.db2.gz LCLQKIYAQFOIJC-CYBMUJFWSA-N 1 1 324.341 -1.968 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001380533501 922371145 /nfs/dbraw/zinc/37/11/45/922371145.db2.gz LCLQKIYAQFOIJC-CYBMUJFWSA-N 1 1 324.341 -1.968 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001380533686 922373171 /nfs/dbraw/zinc/37/31/71/922373171.db2.gz OSNQTIZLODRJLC-HZMBPMFUSA-N 1 1 322.369 -1.821 20 0 DAADMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)nnn1C ZINC001380533686 922373189 /nfs/dbraw/zinc/37/31/89/922373189.db2.gz OSNQTIZLODRJLC-HZMBPMFUSA-N 1 1 322.369 -1.821 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380538427 922373720 /nfs/dbraw/zinc/37/37/20/922373720.db2.gz LJGBDROTRCLJED-CQSZACIVSA-N 1 1 324.385 -1.743 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001380538427 922373734 /nfs/dbraw/zinc/37/37/34/922373734.db2.gz LJGBDROTRCLJED-CQSZACIVSA-N 1 1 324.385 -1.743 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001380533378 922373969 /nfs/dbraw/zinc/37/39/69/922373969.db2.gz DCFOICVGQIOZFB-CQSZACIVSA-N 1 1 314.386 -1.798 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380539581 922374998 /nfs/dbraw/zinc/37/49/98/922374998.db2.gz NLHMJKIRQXMHQW-ZDUSSCGKSA-N 1 1 309.326 -1.905 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001380539581 922375009 /nfs/dbraw/zinc/37/50/09/922375009.db2.gz NLHMJKIRQXMHQW-ZDUSSCGKSA-N 1 1 309.326 -1.905 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@H+](Cc2cncs2)C1 ZINC001380536744 922375078 /nfs/dbraw/zinc/37/50/78/922375078.db2.gz URHGNNSHZCKJPL-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@]1(O)CC[N@@H+](Cc2cncs2)C1 ZINC001380536744 922375091 /nfs/dbraw/zinc/37/50/91/922375091.db2.gz URHGNNSHZCKJPL-LBPRGKRZSA-N 1 1 323.382 -1.117 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380545396 922375796 /nfs/dbraw/zinc/37/57/96/922375796.db2.gz ZBNKBYJTURZEOG-AWEZNQCLSA-N 1 1 314.386 -2.382 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380545396 922375809 /nfs/dbraw/zinc/37/58/09/922375809.db2.gz ZBNKBYJTURZEOG-AWEZNQCLSA-N 1 1 314.386 -2.382 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1ncccn1 ZINC001380548202 922376098 /nfs/dbraw/zinc/37/60/98/922376098.db2.gz FEXPRFYDTSWWOF-ABAIWWIYSA-N 1 1 319.365 -1.078 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001380541653 922376635 /nfs/dbraw/zinc/37/66/35/922376635.db2.gz RVLKHNQHTKORBZ-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001380541653 922376645 /nfs/dbraw/zinc/37/66/45/922376645.db2.gz RVLKHNQHTKORBZ-HNNXBMFYSA-N 1 1 322.365 -1.702 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543323 922376685 /nfs/dbraw/zinc/37/66/85/922376685.db2.gz AUAGMMIVAFBYNN-NQUGEPOWSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001380543323 922376696 /nfs/dbraw/zinc/37/66/96/922376696.db2.gz AUAGMMIVAFBYNN-NQUGEPOWSA-N 1 1 309.366 -1.680 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001380547500 922376856 /nfs/dbraw/zinc/37/68/56/922376856.db2.gz ZUXAPQBZGDBOOC-JQWIXIFHSA-N 1 1 306.384 -2.034 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)C1 ZINC001380547500 922376870 /nfs/dbraw/zinc/37/68/70/922376870.db2.gz ZUXAPQBZGDBOOC-JQWIXIFHSA-N 1 1 306.384 -2.034 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001380547551 922377012 /nfs/dbraw/zinc/37/70/12/922377012.db2.gz AGGFZMUWWXQGRT-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001380547551 922377021 /nfs/dbraw/zinc/37/70/21/922377021.db2.gz AGGFZMUWWXQGRT-IINYFYTJSA-N 1 1 314.386 -1.861 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001380541636 922377061 /nfs/dbraw/zinc/37/70/61/922377061.db2.gz YHDOFLQGSBMMLT-AWEZNQCLSA-N 1 1 310.354 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380545439 922377277 /nfs/dbraw/zinc/37/72/77/922377277.db2.gz ZBNKBYJTURZEOG-CQSZACIVSA-N 1 1 314.386 -2.382 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380545439 922377291 /nfs/dbraw/zinc/37/72/91/922377291.db2.gz ZBNKBYJTURZEOG-CQSZACIVSA-N 1 1 314.386 -2.382 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001380542584 922377502 /nfs/dbraw/zinc/37/75/02/922377502.db2.gz SBMDRPIHYBCIDQ-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001380542584 922377519 /nfs/dbraw/zinc/37/75/19/922377519.db2.gz SBMDRPIHYBCIDQ-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001380547837 922377827 /nfs/dbraw/zinc/37/78/27/922377827.db2.gz BKFGEDDYLVRTKQ-ZDUSSCGKSA-N 1 1 320.357 -1.429 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380545777 922378213 /nfs/dbraw/zinc/37/82/13/922378213.db2.gz XMVHNEWFSQQZIJ-NSHDSACASA-N 1 1 309.388 -2.529 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380541917 922378900 /nfs/dbraw/zinc/37/89/00/922378900.db2.gz PZWNIATWDDIQDQ-CYBMUJFWSA-N 1 1 300.359 -2.643 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC001380541917 922378915 /nfs/dbraw/zinc/37/89/15/922378915.db2.gz PZWNIATWDDIQDQ-CYBMUJFWSA-N 1 1 300.359 -2.643 20 0 DAADMO NC(=O)N1CCC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001380545107 922379523 /nfs/dbraw/zinc/37/95/23/922379523.db2.gz RPZAHOLOMQONQO-BXUZGUMPSA-N 1 1 314.386 -1.678 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001380540914 922379743 /nfs/dbraw/zinc/37/97/43/922379743.db2.gz YTGZAJILOXOBMV-GXFFZTMASA-N 1 1 324.341 -2.024 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001380540914 922379757 /nfs/dbraw/zinc/37/97/57/922379757.db2.gz YTGZAJILOXOBMV-GXFFZTMASA-N 1 1 324.341 -2.024 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nc1 ZINC001380546922 922380101 /nfs/dbraw/zinc/38/01/01/922380101.db2.gz YWSSXPZDYURMCA-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO COc1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nc1 ZINC001380546922 922380118 /nfs/dbraw/zinc/38/01/18/922380118.db2.gz YWSSXPZDYURMCA-YMTOWFKASA-N 1 1 323.353 -1.474 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552811 922380682 /nfs/dbraw/zinc/38/06/82/922380682.db2.gz LNGNFNCZRHIUNJ-RNCFNFMXSA-N 1 1 313.333 -1.021 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552811 922380694 /nfs/dbraw/zinc/38/06/94/922380694.db2.gz LNGNFNCZRHIUNJ-RNCFNFMXSA-N 1 1 313.333 -1.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552813 922380721 /nfs/dbraw/zinc/38/07/21/922380721.db2.gz LNGNFNCZRHIUNJ-TVQRCGJNSA-N 1 1 313.333 -1.021 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552813 922380734 /nfs/dbraw/zinc/38/07/34/922380734.db2.gz LNGNFNCZRHIUNJ-TVQRCGJNSA-N 1 1 313.333 -1.021 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001380549133 922380800 /nfs/dbraw/zinc/38/08/00/922380800.db2.gz BYEAYAVUXAQXLS-AWEZNQCLSA-N 1 1 320.353 -1.536 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001380552527 922381399 /nfs/dbraw/zinc/38/13/99/922381399.db2.gz WZVRQYHXTPSPKG-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001380552527 922381413 /nfs/dbraw/zinc/38/14/13/922381413.db2.gz WZVRQYHXTPSPKG-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001380552079 922381539 /nfs/dbraw/zinc/38/15/39/922381539.db2.gz RDLIPHWHRQYRAV-UKTARXLSSA-N 1 1 321.381 -1.240 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001380552079 922381548 /nfs/dbraw/zinc/38/15/48/922381548.db2.gz RDLIPHWHRQYRAV-UKTARXLSSA-N 1 1 321.381 -1.240 20 0 DAADMO CN1CCN(CC(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CC1=O ZINC001380551704 922381645 /nfs/dbraw/zinc/38/16/45/922381645.db2.gz VKHIZSAIPGCMHB-CQSZACIVSA-N 1 1 316.377 -1.717 20 0 DAADMO CN1CCN(CC(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CC1=O ZINC001380551704 922381654 /nfs/dbraw/zinc/38/16/54/922381654.db2.gz VKHIZSAIPGCMHB-CQSZACIVSA-N 1 1 316.377 -1.717 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cc3ncc[nH]3)C2)C1=O ZINC001380550346 922381683 /nfs/dbraw/zinc/38/16/83/922381683.db2.gz ISKRWMCKWQULGY-IAQYHMDHSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380552125 922381722 /nfs/dbraw/zinc/38/17/22/922381722.db2.gz JHTYWXXPXMKMTD-HNNXBMFYSA-N 1 1 310.398 -1.619 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001380552081 922382003 /nfs/dbraw/zinc/38/20/03/922382003.db2.gz RFHDIIZWENOOJI-HZMBPMFUSA-N 1 1 310.354 -1.029 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)ccc1=O ZINC001380549888 922382246 /nfs/dbraw/zinc/38/22/46/922382246.db2.gz RFXSCAFXNMKNOP-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552809 922383084 /nfs/dbraw/zinc/38/30/84/922383084.db2.gz LNGNFNCZRHIUNJ-NOZJJQNGSA-N 1 1 313.333 -1.021 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380552809 922383098 /nfs/dbraw/zinc/38/30/98/922383098.db2.gz LNGNFNCZRHIUNJ-NOZJJQNGSA-N 1 1 313.333 -1.021 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553089 922383367 /nfs/dbraw/zinc/38/33/67/922383367.db2.gz LUUIPQIYEQNYHQ-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2csnn2)C1 ZINC001380553089 922383381 /nfs/dbraw/zinc/38/33/81/922383381.db2.gz LUUIPQIYEQNYHQ-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC001380549217 922383520 /nfs/dbraw/zinc/38/35/20/922383520.db2.gz CUFCRXZDIXVBDH-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC001380549217 922383540 /nfs/dbraw/zinc/38/35/40/922383540.db2.gz CUFCRXZDIXVBDH-OAHLLOKOSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380552127 922383869 /nfs/dbraw/zinc/38/38/69/922383869.db2.gz JHTYWXXPXMKMTD-OAHLLOKOSA-N 1 1 310.398 -1.619 20 0 DAADMO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N1CCOCC1 ZINC001380552675 922384356 /nfs/dbraw/zinc/38/43/56/922384356.db2.gz NCYQSAFXJYXYTR-OAHLLOKOSA-N 1 1 315.414 -1.358 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC001380549216 922384919 /nfs/dbraw/zinc/38/49/19/922384919.db2.gz CUFCRXZDIXVBDH-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC001380549216 922384934 /nfs/dbraw/zinc/38/49/34/922384934.db2.gz CUFCRXZDIXVBDH-HNNXBMFYSA-N 1 1 319.365 -1.125 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(=O)n2C)C1 ZINC001380558774 922386008 /nfs/dbraw/zinc/38/60/08/922386008.db2.gz ODOZOAKSCKFNSI-IAQYHMDHSA-N 1 1 309.366 -1.067 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554559 922386290 /nfs/dbraw/zinc/38/62/90/922386290.db2.gz NUFLYNIXJFQWFA-RNCFNFMXSA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554559 922386302 /nfs/dbraw/zinc/38/63/02/922386302.db2.gz NUFLYNIXJFQWFA-RNCFNFMXSA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555948 922386391 /nfs/dbraw/zinc/38/63/91/922386391.db2.gz RRYMZHMWGNCTMC-OQPBUACISA-N 1 1 313.333 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555948 922386405 /nfs/dbraw/zinc/38/64/05/922386405.db2.gz RRYMZHMWGNCTMC-OQPBUACISA-N 1 1 313.333 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555941 922386575 /nfs/dbraw/zinc/38/65/75/922386575.db2.gz RRYMZHMWGNCTMC-AMIZOPFISA-N 1 1 313.333 -1.150 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]cc2F)C1 ZINC001380555941 922386589 /nfs/dbraw/zinc/38/65/89/922386589.db2.gz RRYMZHMWGNCTMC-AMIZOPFISA-N 1 1 313.333 -1.150 20 0 DAADMO Cn1nnc(CN2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001380554588 922386671 /nfs/dbraw/zinc/38/66/71/922386671.db2.gz OCDJFSPINPIXDH-BXUZGUMPSA-N 1 1 323.401 -1.643 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554562 922386982 /nfs/dbraw/zinc/38/69/82/922386982.db2.gz NUFLYNIXJFQWFA-ZANVPECISA-N 1 1 310.358 -1.586 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001380554562 922386998 /nfs/dbraw/zinc/38/69/98/922386998.db2.gz NUFLYNIXJFQWFA-ZANVPECISA-N 1 1 310.358 -1.586 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001380557498 922387389 /nfs/dbraw/zinc/38/73/89/922387389.db2.gz JXCUKNWEIBJMBL-FZMZJTMJSA-N 1 1 314.386 -1.800 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001380557498 922387405 /nfs/dbraw/zinc/38/74/05/922387405.db2.gz JXCUKNWEIBJMBL-FZMZJTMJSA-N 1 1 314.386 -1.800 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001380557338 922387775 /nfs/dbraw/zinc/38/77/75/922387775.db2.gz SRGLBEHQJULBBH-OAHLLOKOSA-N 1 1 312.414 -1.229 20 0 DAADMO COc1ncccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001380558108 922387801 /nfs/dbraw/zinc/38/78/01/922387801.db2.gz YDBJSPZYWLEZNI-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1ncccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001380558108 922387814 /nfs/dbraw/zinc/38/78/14/922387814.db2.gz YDBJSPZYWLEZNI-AWEZNQCLSA-N 1 1 308.338 -1.258 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001380557512 922388014 /nfs/dbraw/zinc/38/80/14/922388014.db2.gz YABRXRJQKBLWHS-SKDRFNHKSA-N 1 1 300.315 -1.757 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001380556176 922388547 /nfs/dbraw/zinc/38/85/47/922388547.db2.gz VVVFRKSJWFVXED-YGRLFVJLSA-N 1 1 301.387 -1.165 20 0 DAADMO Cc1ncoc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001380555881 922388744 /nfs/dbraw/zinc/38/87/44/922388744.db2.gz RNGPVPMWTPBFLZ-HZMBPMFUSA-N 1 1 323.353 -1.283 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557736 922388896 /nfs/dbraw/zinc/38/88/96/922388896.db2.gz QUAJASSAJPWALF-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccnnc2)C1 ZINC001380557736 922388912 /nfs/dbraw/zinc/38/89/12/922388912.db2.gz QUAJASSAJPWALF-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001380558218 922389159 /nfs/dbraw/zinc/38/91/59/922389159.db2.gz YNKLGCPRTYXRFJ-OCCSQVGLSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001380558218 922389169 /nfs/dbraw/zinc/38/91/69/922389169.db2.gz YNKLGCPRTYXRFJ-OCCSQVGLSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558672 922389582 /nfs/dbraw/zinc/38/95/82/922389582.db2.gz UTZOYVQSYGVBSW-SMDDNHRTSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)n1ccnc1 ZINC001380558672 922389599 /nfs/dbraw/zinc/38/95/99/922389599.db2.gz UTZOYVQSYGVBSW-SMDDNHRTSA-N 1 1 309.370 -1.128 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(CC(=O)NC)C1 ZINC001380566468 922391014 /nfs/dbraw/zinc/39/10/14/922391014.db2.gz PVYWQSQNHJIDRO-CQSZACIVSA-N 1 1 300.403 -1.373 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001380563456 922392019 /nfs/dbraw/zinc/39/20/19/922392019.db2.gz GMHYWGJDQAEBAZ-NHYWBVRUSA-N 1 1 324.381 -1.903 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001380563456 922392026 /nfs/dbraw/zinc/39/20/26/922392026.db2.gz GMHYWGJDQAEBAZ-NHYWBVRUSA-N 1 1 324.381 -1.903 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@]1(O)CCN(CC(=O)N(C)C)C1 ZINC001380568617 922392944 /nfs/dbraw/zinc/39/29/44/922392944.db2.gz VPPUJHZEMGQFHB-OAHLLOKOSA-N 1 1 314.430 -1.031 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccn3)C2)n1 ZINC001380559195 922393666 /nfs/dbraw/zinc/39/36/66/922393666.db2.gz ZYLXDFXSPFUHGE-CQSZACIVSA-N 1 1 317.353 -1.028 20 0 DAADMO CNC(=O)CN1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001380560535 922393836 /nfs/dbraw/zinc/39/38/36/922393836.db2.gz WPPHKEWRFWLITP-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001380570246 922396129 /nfs/dbraw/zinc/39/61/29/922396129.db2.gz HCVCASKDQUZCLG-GFCCVEGCSA-N 1 1 307.416 -1.255 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001380573686 922396577 /nfs/dbraw/zinc/39/65/77/922396577.db2.gz ZTGKSSBFKYJIGX-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001380573686 922396591 /nfs/dbraw/zinc/39/65/91/922396591.db2.gz ZTGKSSBFKYJIGX-CQSZACIVSA-N 1 1 314.386 -1.669 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001380574377 922396759 /nfs/dbraw/zinc/39/67/59/922396759.db2.gz SBGRYXLLUCQYRB-HNNXBMFYSA-N 1 1 323.397 -1.050 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001380574377 922396773 /nfs/dbraw/zinc/39/67/73/922396773.db2.gz SBGRYXLLUCQYRB-HNNXBMFYSA-N 1 1 323.397 -1.050 20 0 DAADMO Cc1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001380574574 922397674 /nfs/dbraw/zinc/39/76/74/922397674.db2.gz RBBZMEIRIGQAQZ-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO Cc1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001380574574 922397684 /nfs/dbraw/zinc/39/76/84/922397684.db2.gz RBBZMEIRIGQAQZ-HNNXBMFYSA-N 1 1 306.366 -1.029 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577385 922399019 /nfs/dbraw/zinc/39/90/19/922399019.db2.gz JLLXWUJNRSMLIH-CHWSQXEVSA-N 1 1 313.398 -1.484 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001380577389 922399352 /nfs/dbraw/zinc/39/93/52/922399352.db2.gz JLLXWUJNRSMLIH-OLZOCXBDSA-N 1 1 313.398 -1.484 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2[nH]cnc2C)C1 ZINC001380578866 922400827 /nfs/dbraw/zinc/40/08/27/922400827.db2.gz YNPHLNQXNYDRIS-FZMZJTMJSA-N 1 1 312.370 -1.108 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001380575468 922400851 /nfs/dbraw/zinc/40/08/51/922400851.db2.gz VHRFLOHWMFEPOD-RISCZKNCSA-N 1 1 324.385 -1.692 20 0 DAADMO CC(C)OCCN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001380578883 922401067 /nfs/dbraw/zinc/40/10/67/922401067.db2.gz TYLSEYOXPSEKJU-ZDUSSCGKSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)OCCN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001380578883 922401077 /nfs/dbraw/zinc/40/10/77/922401077.db2.gz TYLSEYOXPSEKJU-ZDUSSCGKSA-N 1 1 315.414 -1.095 20 0 DAADMO CN1CC[C@H](N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001380583154 922402071 /nfs/dbraw/zinc/40/20/71/922402071.db2.gz ZDYSTYLRGZRZCD-RYUDHWBXSA-N 1 1 310.398 -1.526 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380580541 922403125 /nfs/dbraw/zinc/40/31/25/922403125.db2.gz IBEOHRXAOFEQKF-GFCCVEGCSA-N 1 1 308.386 -1.428 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001380579720 922404322 /nfs/dbraw/zinc/40/43/22/922404322.db2.gz BMRWSDPTNFUUGY-GFCCVEGCSA-N 1 1 308.386 -1.465 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CCn2cncn2)C1 ZINC001380579726 922404381 /nfs/dbraw/zinc/40/43/81/922404381.db2.gz BMRWSDPTNFUUGY-LBPRGKRZSA-N 1 1 308.386 -1.465 20 0 DAADMO CNC(=O)CN1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001380599511 922411729 /nfs/dbraw/zinc/41/17/29/922411729.db2.gz KUJZINTZYLTTJZ-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001380597281 922412445 /nfs/dbraw/zinc/41/24/45/922412445.db2.gz CBPCBYJKIAHURH-UHFFFAOYSA-N 1 1 312.370 -2.188 20 0 DAADMO NC(=O)c1ccc(C(=O)NCC2(O)C[NH+](C[C@H]3CCOC3)C2)[nH]1 ZINC001380616140 922420539 /nfs/dbraw/zinc/42/05/39/922420539.db2.gz RHJFGGRJFMXLPP-SNVBAGLBSA-N 1 1 322.365 -1.073 20 0 DAADMO Cn1cc(C(=O)NCC2(O)C[NH+](C[C@@H]3CCOC3)C2)[nH]c1=O ZINC001380623270 922422640 /nfs/dbraw/zinc/42/26/40/922422640.db2.gz DTFJMWCAPKUKOD-JTQLQIEISA-N 1 1 310.354 -1.061 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CNC(=O)N1 ZINC001380620891 922422703 /nfs/dbraw/zinc/42/27/03/922422703.db2.gz FDHZSDOSJNJRMV-WDEREUQCSA-N 1 1 312.370 -1.743 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CNC(=O)N1 ZINC001380620887 922423126 /nfs/dbraw/zinc/42/31/26/922423126.db2.gz FDHZSDOSJNJRMV-MNOVXSKESA-N 1 1 312.370 -1.743 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001380629430 922426105 /nfs/dbraw/zinc/42/61/05/922426105.db2.gz ZECJKIOGLLCLOM-NSHDSACASA-N 1 1 323.397 -1.018 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(CC(=O)N3CCCC3)C2)C1 ZINC001380641450 922430167 /nfs/dbraw/zinc/43/01/67/922430167.db2.gz HRSKDBOTIYUYOE-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(Cc2cn(C)nn2)C1 ZINC001380639429 922430388 /nfs/dbraw/zinc/43/03/88/922430388.db2.gz ZWGJTOYNRNLEHA-UHFFFAOYSA-N 1 1 310.402 -1.180 20 0 DAADMO C[C@@H](C(=O)NC1CC1)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380644394 922431626 /nfs/dbraw/zinc/43/16/26/922431626.db2.gz YNSNLPVEGKIBDC-RYUDHWBXSA-N 1 1 324.425 -1.232 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001380645314 922431948 /nfs/dbraw/zinc/43/19/48/922431948.db2.gz WTTIIKYLZYAHBZ-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO CC(C)NC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380643031 922432167 /nfs/dbraw/zinc/43/21/67/922432167.db2.gz PJICGWSOXOIBGX-GFCCVEGCSA-N 1 1 312.414 -1.374 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001380644966 922432217 /nfs/dbraw/zinc/43/22/17/922432217.db2.gz UJRNSROVMSBQSU-GFCCVEGCSA-N 1 1 303.403 -1.503 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001380641934 922432512 /nfs/dbraw/zinc/43/25/12/922432512.db2.gz GMOJOGNGQGVENV-UHFFFAOYSA-N 1 1 310.358 -1.660 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664868 922436895 /nfs/dbraw/zinc/43/68/95/922436895.db2.gz UNUBAIDMCWALNP-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)c1cnnn1C ZINC001380664868 922436910 /nfs/dbraw/zinc/43/69/10/922436910.db2.gz UNUBAIDMCWALNP-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO CC[C@H](OC)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001380698548 922438361 /nfs/dbraw/zinc/43/83/61/922438361.db2.gz ALQFGHWZDAOIOW-AXFHLTTASA-N 1 1 312.370 -1.004 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3nnn(C)n3)C[C@H]2C1 ZINC001380704286 922439269 /nfs/dbraw/zinc/43/92/69/922439269.db2.gz FNNSECQOFMKUQV-PHIMTYICSA-N 1 1 321.385 -1.308 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001380707810 922439558 /nfs/dbraw/zinc/43/95/58/922439558.db2.gz YPIMMPMCBDNKEO-OFTGVCEQSA-N 1 1 311.382 -1.495 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001380706110 922440502 /nfs/dbraw/zinc/44/05/02/922440502.db2.gz UHRIZSUBTIFKRQ-TXEJJXNPSA-N 1 1 323.397 -1.333 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)C1 ZINC001380736483 922442972 /nfs/dbraw/zinc/44/29/72/922442972.db2.gz XJXHHHNOBJJCHF-HIFRSBDPSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001380733761 922444269 /nfs/dbraw/zinc/44/42/69/922444269.db2.gz ISWSMASNJKYFPM-OAHLLOKOSA-N 1 1 323.397 -1.119 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2COCCO2)C1 ZINC001380727892 922444872 /nfs/dbraw/zinc/44/48/72/922444872.db2.gz BXKPQFRGSSSONA-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO O=C(CCn1cncn1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001380730184 922445852 /nfs/dbraw/zinc/44/58/52/922445852.db2.gz IPNGGHQRZYRLTC-CQSZACIVSA-N 1 1 311.386 -1.006 20 0 DAADMO O=C(CCn1cncn1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001380730181 922445995 /nfs/dbraw/zinc/44/59/95/922445995.db2.gz IPNGGHQRZYRLTC-AWEZNQCLSA-N 1 1 311.386 -1.006 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+](C(C)C)C1 ZINC001380741065 922448126 /nfs/dbraw/zinc/44/81/26/922448126.db2.gz MUHSUBPDVFPVDM-LBPRGKRZSA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001380738613 922448774 /nfs/dbraw/zinc/44/87/74/922448774.db2.gz ZWWWRUMYHUPJBH-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(CO)CCC[N@H+](C(C)C)C1 ZINC001380741063 922449196 /nfs/dbraw/zinc/44/91/96/922449196.db2.gz MUHSUBPDVFPVDM-GFCCVEGCSA-N 1 1 322.431 -1.608 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001380759552 922450977 /nfs/dbraw/zinc/45/09/77/922450977.db2.gz BPYINQZMNXPKJS-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001380759552 922450991 /nfs/dbraw/zinc/45/09/91/922450991.db2.gz BPYINQZMNXPKJS-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCCN2C)C1=O ZINC001380761812 922452001 /nfs/dbraw/zinc/45/20/01/922452001.db2.gz HJYDXXOABVQYGQ-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001380750398 922452109 /nfs/dbraw/zinc/45/21/09/922452109.db2.gz SDHWVHGBQOOFFI-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@](CO)(NC(=O)Cc2ncc[nH]2)C1 ZINC001380750398 922452112 /nfs/dbraw/zinc/45/21/12/922452112.db2.gz SDHWVHGBQOOFFI-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1nnn(C)n1)c1ncccn1 ZINC001380768068 922454391 /nfs/dbraw/zinc/45/43/91/922454391.db2.gz XGNMFRVWJKCPCA-SNVBAGLBSA-N 1 1 320.357 -1.215 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cnon1)c1nncn1C ZINC001380767918 922454617 /nfs/dbraw/zinc/45/46/17/922454617.db2.gz WAYUEDQHGNESLU-VIFPVBQESA-N 1 1 309.330 -1.017 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCOC1)c1nnnn1C ZINC001380770490 922455124 /nfs/dbraw/zinc/45/51/24/922455124.db2.gz WBDQTDOKNHNAOM-MNOVXSKESA-N 1 1 312.374 -1.282 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001380786859 922457144 /nfs/dbraw/zinc/45/71/44/922457144.db2.gz GJOFOGWQONMKDU-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001380786859 922457156 /nfs/dbraw/zinc/45/71/56/922457156.db2.gz GJOFOGWQONMKDU-QJPTWQEYSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@@H+]1CC1CCOCC1 ZINC001380806261 922458778 /nfs/dbraw/zinc/45/87/78/922458778.db2.gz HRZVTSMJSHWWSQ-CYBMUJFWSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1COCC[N@H+]1CC1CCOCC1 ZINC001380806261 922458791 /nfs/dbraw/zinc/45/87/91/922458791.db2.gz HRZVTSMJSHWWSQ-CYBMUJFWSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1CC[C@@H]1CCOC1 ZINC001380811957 922460738 /nfs/dbraw/zinc/46/07/38/922460738.db2.gz YHLBAVRXKPEFGR-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1CC[C@@H]1CCOC1 ZINC001380811957 922460742 /nfs/dbraw/zinc/46/07/42/922460742.db2.gz YHLBAVRXKPEFGR-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001380899656 922469995 /nfs/dbraw/zinc/46/99/95/922469995.db2.gz BJCDAYAKCFSPLZ-LLVKDONJSA-N 1 1 311.342 -1.087 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001380899658 922470955 /nfs/dbraw/zinc/47/09/55/922470955.db2.gz BJCDAYAKCFSPLZ-NSHDSACASA-N 1 1 311.342 -1.087 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001380901381 922472281 /nfs/dbraw/zinc/47/22/81/922472281.db2.gz FVQVOGGHEPNSSN-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001380908548 922474672 /nfs/dbraw/zinc/47/46/72/922474672.db2.gz AFWCZNROGPRVCP-MWLCHTKSSA-N 1 1 311.342 -1.102 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001380921134 922477321 /nfs/dbraw/zinc/47/73/21/922477321.db2.gz VMXJGUTYQOPCAR-LBPRGKRZSA-N 1 1 324.385 -1.310 20 0 DAADMO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001380921134 922477331 /nfs/dbraw/zinc/47/73/31/922477331.db2.gz VMXJGUTYQOPCAR-LBPRGKRZSA-N 1 1 324.385 -1.310 20 0 DAADMO CC(=O)N1CC[C@H]([NH+]2CCN([C@H](C)C(=O)NC(N)=O)CC2)C1 ZINC001380918162 922477532 /nfs/dbraw/zinc/47/75/32/922477532.db2.gz PLCOJYNUNHZOFX-PWSUYJOCSA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)N1CC[C@@H]([NH+]2CCN([C@@H](C)C(=O)NC(N)=O)CC2)C1 ZINC001380918151 922477593 /nfs/dbraw/zinc/47/75/93/922477593.db2.gz PLCOJYNUNHZOFX-CMPLNLGQSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001380928971 922478370 /nfs/dbraw/zinc/47/83/70/922478370.db2.gz DHIGYDXAGOMYLF-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001380934033 922478912 /nfs/dbraw/zinc/47/89/12/922478912.db2.gz QSSZFRUGUXMVQX-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001380959894 922480479 /nfs/dbraw/zinc/48/04/79/922480479.db2.gz GTBIOGMEYRQWOI-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cn[nH]n2)C1 ZINC001380959894 922480486 /nfs/dbraw/zinc/48/04/86/922480486.db2.gz GTBIOGMEYRQWOI-NSHDSACASA-N 1 1 322.369 -1.408 20 0 DAADMO CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001381038359 922494041 /nfs/dbraw/zinc/49/40/41/922494041.db2.gz AABGENJFEYOZSY-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001381038359 922494050 /nfs/dbraw/zinc/49/40/50/922494050.db2.gz AABGENJFEYOZSY-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO CN1CC[C@H]([NH2+]CC2(NC(=O)c3cnn[nH]3)CCOCC2)C1=O ZINC001381064252 922499005 /nfs/dbraw/zinc/49/90/05/922499005.db2.gz XZLBKARYXMQUKE-JTQLQIEISA-N 1 1 322.369 -1.096 20 0 DAADMO C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001381109249 922502240 /nfs/dbraw/zinc/50/22/40/922502240.db2.gz OLHUEZJQJOQPRS-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001381138733 922502958 /nfs/dbraw/zinc/50/29/58/922502958.db2.gz BKJDBNFUAGWTIX-CYBMUJFWSA-N 1 1 323.397 -1.141 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001381138733 922502975 /nfs/dbraw/zinc/50/29/75/922502975.db2.gz BKJDBNFUAGWTIX-CYBMUJFWSA-N 1 1 323.397 -1.141 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001381156671 922503903 /nfs/dbraw/zinc/50/39/03/922503903.db2.gz UUGLWUXTXXFAEK-JTQLQIEISA-N 1 1 324.385 -1.196 20 0 DAADMO CC[C@@H]([NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1)C(N)=O ZINC001381153801 922503985 /nfs/dbraw/zinc/50/39/85/922503985.db2.gz KKNUNPJWXYYZOI-SNVBAGLBSA-N 1 1 324.385 -1.066 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)c2[nH]nnc2C)CC1 ZINC001381156672 922505136 /nfs/dbraw/zinc/50/51/36/922505136.db2.gz UUGLWUXTXXFAEK-SNVBAGLBSA-N 1 1 324.385 -1.196 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC001381174865 922506901 /nfs/dbraw/zinc/50/69/01/922506901.db2.gz WLOVLFLSSSKLRM-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC001381174865 922506914 /nfs/dbraw/zinc/50/69/14/922506914.db2.gz WLOVLFLSSSKLRM-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001381164771 922507064 /nfs/dbraw/zinc/50/70/64/922507064.db2.gz BCMQXUWQZKRRGF-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001381164771 922507084 /nfs/dbraw/zinc/50/70/84/922507084.db2.gz BCMQXUWQZKRRGF-UWVGGRQHSA-N 1 1 320.415 -1.491 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC001381174863 922507328 /nfs/dbraw/zinc/50/73/28/922507328.db2.gz WLOVLFLSSSKLRM-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC001381174863 922507343 /nfs/dbraw/zinc/50/73/43/922507343.db2.gz WLOVLFLSSSKLRM-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1CN(C(=O)CNC(N)=O)C1 ZINC001381183818 922509234 /nfs/dbraw/zinc/50/92/34/922509234.db2.gz HRWVTLMOHPLUHG-VIFPVBQESA-N 1 1 322.369 -1.177 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2nnn(C)n2)C1 ZINC001381191915 922510852 /nfs/dbraw/zinc/51/08/52/922510852.db2.gz XBNJEYUHXVVSMF-VIFPVBQESA-N 1 1 309.374 -1.327 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCCO1 ZINC001381237662 922512125 /nfs/dbraw/zinc/51/21/25/922512125.db2.gz TYMMKKSTUVSWHF-RYUDHWBXSA-N 1 1 311.382 -1.003 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCCO1 ZINC001381237663 922512147 /nfs/dbraw/zinc/51/21/47/922512147.db2.gz TYMMKKSTUVSWHF-VXGBXAGGSA-N 1 1 311.382 -1.003 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001381254495 922514423 /nfs/dbraw/zinc/51/44/23/922514423.db2.gz DICNLBQXEPWTKY-LLVKDONJSA-N 1 1 324.385 -1.364 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H](C)CC(N)=O)CC1 ZINC001381262693 922515186 /nfs/dbraw/zinc/51/51/86/922515186.db2.gz UTCSFTIHZOSRNR-JTQLQIEISA-N 1 1 314.386 -1.813 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cnn(C)c2)CC1 ZINC001381245934 922515395 /nfs/dbraw/zinc/51/53/95/922515395.db2.gz FKUPSUBSNAJCCO-NSHDSACASA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnns2)CC1 ZINC001381242395 922515518 /nfs/dbraw/zinc/51/55/18/922515518.db2.gz RSBPEFDTAUFPPK-MRVPVSSYSA-N 1 1 313.383 -1.031 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2cc[nH]n2)CC1 ZINC001381248043 922516137 /nfs/dbraw/zinc/51/61/37/922516137.db2.gz XTNZLUGABBMBQZ-JTQLQIEISA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290500 922518287 /nfs/dbraw/zinc/51/82/87/922518287.db2.gz DXDFETVGZNBDCO-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC001381288794 922518600 /nfs/dbraw/zinc/51/86/00/922518600.db2.gz GTZVGWHOSASQQO-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290332 922519066 /nfs/dbraw/zinc/51/90/66/922519066.db2.gz CVNIFHMNUVBOKH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001381290332 922519081 /nfs/dbraw/zinc/51/90/81/922519081.db2.gz CVNIFHMNUVBOKH-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](NC(=O)c1ncn[nH]1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427102 922525564 /nfs/dbraw/zinc/52/55/64/922525564.db2.gz ISFOPGPMPMVSBJ-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)c1nc[nH]n1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001381427102 922525579 /nfs/dbraw/zinc/52/55/79/922525579.db2.gz ISFOPGPMPMVSBJ-NXEZZACHSA-N 1 1 310.358 -1.240 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001381524027 922529497 /nfs/dbraw/zinc/52/94/97/922529497.db2.gz CFBIPDLGVUPPEP-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001381524027 922529506 /nfs/dbraw/zinc/52/95/06/922529506.db2.gz CFBIPDLGVUPPEP-VIFPVBQESA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001381515451 922530044 /nfs/dbraw/zinc/53/00/44/922530044.db2.gz YXUIZIQPGZLNAV-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001381515451 922530055 /nfs/dbraw/zinc/53/00/55/922530055.db2.gz YXUIZIQPGZLNAV-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@@H](CNC(=O)CC1OCCCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001381522174 922530147 /nfs/dbraw/zinc/53/01/47/922530147.db2.gz XPAGTBSCBWGIKZ-VIFPVBQESA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@@H](CNC(=O)CC1OCCCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001381522174 922530160 /nfs/dbraw/zinc/53/01/60/922530160.db2.gz XPAGTBSCBWGIKZ-VIFPVBQESA-N 1 1 316.358 -1.229 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502724 922530192 /nfs/dbraw/zinc/53/01/92/922530192.db2.gz ADAGQOFONNKJAN-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1nnn(C)n1 ZINC001381502724 922530210 /nfs/dbraw/zinc/53/02/10/922530210.db2.gz ADAGQOFONNKJAN-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001381501616 922530743 /nfs/dbraw/zinc/53/07/43/922530743.db2.gz QDQNGRMBYDQQAS-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)cnn1C ZINC001381501616 922530753 /nfs/dbraw/zinc/53/07/53/922530753.db2.gz QDQNGRMBYDQQAS-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001381495566 922530923 /nfs/dbraw/zinc/53/09/23/922530923.db2.gz QGXAWNUJPBASJI-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001381495566 922530935 /nfs/dbraw/zinc/53/09/35/922530935.db2.gz QGXAWNUJPBASJI-ZJUUUORDSA-N 1 1 309.374 -1.223 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCNC(=O)C1CC1 ZINC001381534307 922532999 /nfs/dbraw/zinc/53/29/99/922532999.db2.gz PLWLDOBSCNPNNC-SNVBAGLBSA-N 1 1 313.402 -1.122 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)N1CCC1 ZINC001381563271 922533625 /nfs/dbraw/zinc/53/36/25/922533625.db2.gz DZKJQZJNQZRFRC-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)N1CCC1 ZINC001381563271 922533633 /nfs/dbraw/zinc/53/36/33/922533633.db2.gz DZKJQZJNQZRFRC-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@H+](C)CC(N)=O ZINC001381535699 922533766 /nfs/dbraw/zinc/53/37/66/922533766.db2.gz TUYMSWAZQKAUHJ-SECBINFHSA-N 1 1 311.342 -2.531 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[N@@H+](C)CC(N)=O ZINC001381535699 922533783 /nfs/dbraw/zinc/53/37/83/922533783.db2.gz TUYMSWAZQKAUHJ-SECBINFHSA-N 1 1 311.342 -2.531 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001381566271 922533997 /nfs/dbraw/zinc/53/39/97/922533997.db2.gz RCQOYZKRHXGTHT-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001381566271 922534012 /nfs/dbraw/zinc/53/40/12/922534012.db2.gz RCQOYZKRHXGTHT-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)CC(=O)N(C)C ZINC001381569897 922535757 /nfs/dbraw/zinc/53/57/57/922535757.db2.gz YWYZIIKWNWSSTO-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)CC(=O)N(C)C ZINC001381569897 922535769 /nfs/dbraw/zinc/53/57/69/922535769.db2.gz YWYZIIKWNWSSTO-NSHDSACASA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@H+](C)CC(=O)N1CCC1 ZINC001381563258 922536252 /nfs/dbraw/zinc/53/62/52/922536252.db2.gz DZKJQZJNQZRFRC-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CC(=O)N1CCC1 ZINC001381563258 922536257 /nfs/dbraw/zinc/53/62/57/922536257.db2.gz DZKJQZJNQZRFRC-GHMZBOCLSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(=O)NC ZINC001381533372 922536559 /nfs/dbraw/zinc/53/65/59/922536559.db2.gz NJGLSCFWVAEEML-QMMMGPOBSA-N 1 1 316.362 -2.193 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(=O)NC ZINC001381533372 922536568 /nfs/dbraw/zinc/53/65/68/922536568.db2.gz NJGLSCFWVAEEML-QMMMGPOBSA-N 1 1 316.362 -2.193 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)[N@H+](C)CCNS(C)(=O)=O ZINC001381606765 922537470 /nfs/dbraw/zinc/53/74/70/922537470.db2.gz SKBGDUZCTFSQRM-SECBINFHSA-N 1 1 318.403 -1.667 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001381606765 922537486 /nfs/dbraw/zinc/53/74/86/922537486.db2.gz SKBGDUZCTFSQRM-SECBINFHSA-N 1 1 318.403 -1.667 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001381586100 922538577 /nfs/dbraw/zinc/53/85/77/922538577.db2.gz IDAWYXFQYAHENJ-UTLUCORTSA-N 1 1 316.358 -1.972 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001381585195 922538815 /nfs/dbraw/zinc/53/88/15/922538815.db2.gz DUMLLQHBYJNUIW-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001381585195 922538821 /nfs/dbraw/zinc/53/88/21/922538821.db2.gz DUMLLQHBYJNUIW-DTWKUNHWSA-N 1 1 308.404 -1.893 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@H+](C)[C@@H](C)C(N)=O ZINC001381623406 922538915 /nfs/dbraw/zinc/53/89/15/922538915.db2.gz YNLJJVRGKIBWIN-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001381623406 922538920 /nfs/dbraw/zinc/53/89/20/922538920.db2.gz YNLJJVRGKIBWIN-ZJUUUORDSA-N 1 1 322.431 -1.422 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634522 922539079 /nfs/dbraw/zinc/53/90/79/922539079.db2.gz ZHEJNMQITKWOHM-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001381634522 922539089 /nfs/dbraw/zinc/53/90/89/922539089.db2.gz ZHEJNMQITKWOHM-ZJUUUORDSA-N 1 1 322.431 -1.551 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381641553 922541717 /nfs/dbraw/zinc/54/17/17/922541717.db2.gz FTWGIZGWYZHHQH-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001381641553 922541729 /nfs/dbraw/zinc/54/17/29/922541729.db2.gz FTWGIZGWYZHHQH-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO Cn1cc(CN2CC(CCO)(NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001381653131 922542011 /nfs/dbraw/zinc/54/20/11/922542011.db2.gz YKPPQGIPBUNOAO-ZDUSSCGKSA-N 1 1 322.413 -1.038 20 0 DAADMO O=C(CN1CCOCC1=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001381666172 922545853 /nfs/dbraw/zinc/54/58/53/922545853.db2.gz VWQJOKXQMHPBHP-UHFFFAOYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(NC1(CCO)C[NH+](CCC2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001381692670 922548291 /nfs/dbraw/zinc/54/82/91/922548291.db2.gz YTUJHUBLYBEYSQ-NSHDSACASA-N 1 1 324.381 -1.062 20 0 DAADMO CCCC[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001381752972 922550196 /nfs/dbraw/zinc/55/01/96/922550196.db2.gz UHMFQGALDJUHEW-NXEZZACHSA-N 1 1 324.389 -1.344 20 0 DAADMO O=C(NC1(CCO)C[NH+](C[C@H]2CCOC2)C1)[C@H]1CNC(=O)N1 ZINC001381693968 922550778 /nfs/dbraw/zinc/55/07/78/922550778.db2.gz ZJHMBFGVTOMQPM-GHMZBOCLSA-N 1 1 312.370 -1.743 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C1C[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC001381770187 922550811 /nfs/dbraw/zinc/55/08/11/922550811.db2.gz FTDNFJBNXANJMY-UWVGGRQHSA-N 1 1 321.385 -1.223 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001381770190 922551825 /nfs/dbraw/zinc/55/18/25/922551825.db2.gz FTDNFJBNXANJMY-VHSXEESVSA-N 1 1 321.385 -1.223 20 0 DAADMO CCCC[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001381752978 922552339 /nfs/dbraw/zinc/55/23/39/922552339.db2.gz UHMFQGALDJUHEW-UWVGGRQHSA-N 1 1 324.389 -1.344 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C)C1 ZINC001381780330 922555148 /nfs/dbraw/zinc/55/51/48/922555148.db2.gz QVZGGLPBPTWYSC-JTQLQIEISA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381789805 922555293 /nfs/dbraw/zinc/55/52/93/922555293.db2.gz JQZJAGUWQWKZFG-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](NC(=O)Cn1ncnn1)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001381778746 922556323 /nfs/dbraw/zinc/55/63/23/922556323.db2.gz OVQUFZDVOXAWNK-KOLCDFICSA-N 1 1 307.358 -1.660 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001381842088 922557556 /nfs/dbraw/zinc/55/75/56/922557556.db2.gz BXHAECDMBDGXMS-GFCCVEGCSA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC001381813720 922557870 /nfs/dbraw/zinc/55/78/70/922557870.db2.gz OTMAYJZGNZQQHB-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001381832913 922559129 /nfs/dbraw/zinc/55/91/29/922559129.db2.gz YELBZNRZCIEHKD-IUCAKERBSA-N 1 1 320.415 -1.893 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001381858039 922562051 /nfs/dbraw/zinc/56/20/51/922562051.db2.gz USZHAZGPZHGVFA-QWRGUYRKSA-N 1 1 312.374 -1.493 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001381866515 922562091 /nfs/dbraw/zinc/56/20/91/922562091.db2.gz BIWDTDQGRGGLGF-ZJUUUORDSA-N 1 1 307.416 -1.257 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001381895351 922563016 /nfs/dbraw/zinc/56/30/16/922563016.db2.gz YAKZTDDGHFZZTL-WISYIIOYSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001381895451 922564255 /nfs/dbraw/zinc/56/42/55/922564255.db2.gz YFMOSTOQYRGFTG-PDEGPIFNSA-N 1 1 308.382 -1.320 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001381921798 922565679 /nfs/dbraw/zinc/56/56/79/922565679.db2.gz CZMLZORSRXWECC-MWLCHTKSSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001381921798 922565691 /nfs/dbraw/zinc/56/56/91/922565691.db2.gz CZMLZORSRXWECC-MWLCHTKSSA-N 1 1 310.358 -1.572 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001381921970 922567407 /nfs/dbraw/zinc/56/74/07/922567407.db2.gz NAUKTJDNIKWTTJ-BXKDBHETSA-N 1 1 324.385 -1.045 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC001381916759 922567468 /nfs/dbraw/zinc/56/74/68/922567468.db2.gz RQBNKWSVRROJSJ-FIQHERPVSA-N 1 1 309.370 -1.270 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001381921992 922567706 /nfs/dbraw/zinc/56/77/06/922567706.db2.gz NAUKTJDNIKWTTJ-SKDRFNHKSA-N 1 1 324.385 -1.045 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cnn(C)n2)C1 ZINC001381928832 922569044 /nfs/dbraw/zinc/56/90/44/922569044.db2.gz TWMVLLYYXBQBNP-ZWNOBZJWSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001381995528 922574522 /nfs/dbraw/zinc/57/45/22/922574522.db2.gz QKPJHDQQQXWKKU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC001381988126 922574836 /nfs/dbraw/zinc/57/48/36/922574836.db2.gz KVWLYZZSHOHDKT-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001381998324 922574881 /nfs/dbraw/zinc/57/48/81/922574881.db2.gz RWIYVIBJLAEXDY-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1cnnn1 ZINC001382003270 922576276 /nfs/dbraw/zinc/57/62/76/922576276.db2.gz GJCAHLGDBQGMDH-QJPTWQEYSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1nnnn1C ZINC001382086075 922581658 /nfs/dbraw/zinc/58/16/58/922581658.db2.gz ONTXZFJXUHVLHZ-ZJUUUORDSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001382107737 922582632 /nfs/dbraw/zinc/58/26/32/922582632.db2.gz PSHPBFGDAJDRNW-SNVBAGLBSA-N 1 1 320.357 -1.159 20 0 DAADMO CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC001382164205 922590058 /nfs/dbraw/zinc/59/00/58/922590058.db2.gz FCKQVFZRPOUKLB-NEPJUHHUSA-N 1 1 309.370 -1.080 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001382182412 922596648 /nfs/dbraw/zinc/59/66/48/922596648.db2.gz JZIXVYSUNYEUBQ-QMMMGPOBSA-N 1 1 301.372 -1.369 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)cn1 ZINC001382183821 922597434 /nfs/dbraw/zinc/59/74/34/922597434.db2.gz MUQHMLGLGSCJJX-VXGBXAGGSA-N 1 1 307.354 -1.370 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001382184120 922598030 /nfs/dbraw/zinc/59/80/30/922598030.db2.gz HSPBWAAQRGYDES-LLVKDONJSA-N 1 1 311.342 -1.292 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001382184123 922598412 /nfs/dbraw/zinc/59/84/12/922598412.db2.gz HSPBWAAQRGYDES-NSHDSACASA-N 1 1 311.342 -1.292 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2cnnn2C)n1 ZINC001382186137 922600941 /nfs/dbraw/zinc/60/09/41/922600941.db2.gz FKTXUMRHCCZVRV-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001382198886 922611259 /nfs/dbraw/zinc/61/12/59/922611259.db2.gz LQYXWNNBUGFWAL-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001382198876 922612050 /nfs/dbraw/zinc/61/20/50/922612050.db2.gz LQYXWNNBUGFWAL-GHMZBOCLSA-N 1 1 324.385 -1.609 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1ccns1)C1CS(=O)(=O)C1 ZINC001382204114 922614385 /nfs/dbraw/zinc/61/43/85/922614385.db2.gz FVZOUUOBNMCLQD-SECBINFHSA-N 1 1 319.408 -1.246 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001382202695 922615591 /nfs/dbraw/zinc/61/55/91/922615591.db2.gz ALOYQUGZQVMIRS-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@H]1CCCC(=O)N1 ZINC001382208244 922617011 /nfs/dbraw/zinc/61/70/11/922617011.db2.gz HWPCUMXNICAYKX-WCBMZHEXSA-N 1 1 313.383 -1.227 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001382207590 922617058 /nfs/dbraw/zinc/61/70/58/922617058.db2.gz KOJGTTSVOAQDTB-FRRDWIJNSA-N 1 1 314.430 -1.128 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCC(=O)N(C)C)CC[N@H+]1C ZINC001382207590 922617070 /nfs/dbraw/zinc/61/70/70/922617070.db2.gz KOJGTTSVOAQDTB-FRRDWIJNSA-N 1 1 314.430 -1.128 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2cnnn2C)CC[N@H+]1C ZINC001382211081 922617167 /nfs/dbraw/zinc/61/71/67/922617167.db2.gz PEXRJZNFQPUZPS-NTZNESFSSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)NC(N)=O ZINC001382211764 922618465 /nfs/dbraw/zinc/61/84/65/922618465.db2.gz IEEVONXGPUFLST-GXSJLCMTSA-N 1 1 312.374 -1.566 20 0 DAADMO C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)NC(N)=O ZINC001382211770 922619523 /nfs/dbraw/zinc/61/95/23/922619523.db2.gz IEEVONXGPUFLST-ONGXEEELSA-N 1 1 312.374 -1.566 20 0 DAADMO NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001382212199 922622186 /nfs/dbraw/zinc/62/21/86/922622186.db2.gz NQZOGHOQRCTGKN-AAEUAGOBSA-N 1 1 312.414 -1.055 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2ncn(C)c2=O)on1 ZINC001382216790 922625143 /nfs/dbraw/zinc/62/51/43/922625143.db2.gz UZKCEKGMFFQEQD-JTQLQIEISA-N 1 1 324.341 -1.855 20 0 DAADMO CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001382216238 922625558 /nfs/dbraw/zinc/62/55/58/922625558.db2.gz RMTSXGSRSUKQJA-WDEREUQCSA-N 1 1 300.403 -1.328 20 0 DAADMO CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001382216238 922625569 /nfs/dbraw/zinc/62/55/69/922625569.db2.gz RMTSXGSRSUKQJA-WDEREUQCSA-N 1 1 300.403 -1.328 20 0 DAADMO C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001382225219 922628409 /nfs/dbraw/zinc/62/84/09/922628409.db2.gz YDEUTMGYPBNWFS-NXEZZACHSA-N 1 1 323.397 -1.229 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001382228585 922630917 /nfs/dbraw/zinc/63/09/17/922630917.db2.gz BMFCEJJSFVGOKX-VXGBXAGGSA-N 1 1 323.397 -1.097 20 0 DAADMO C[C@@H](N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001382232343 922632364 /nfs/dbraw/zinc/63/23/64/922632364.db2.gz CGVPGAOADYIYJY-NEPJUHHUSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)o1 ZINC001382234714 922634608 /nfs/dbraw/zinc/63/46/08/922634608.db2.gz LAYRYOOALQJMAE-NXEZZACHSA-N 1 1 311.342 -1.460 20 0 DAADMO CCc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001382234674 922634866 /nfs/dbraw/zinc/63/48/66/922634866.db2.gz KRWWSPJCIFRJQJ-MWLCHTKSSA-N 1 1 311.342 -1.515 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCc2cn(C)nn2)C1 ZINC001382244671 922636716 /nfs/dbraw/zinc/63/67/16/922636716.db2.gz HAVXSNNISPOZNY-AAEUAGOBSA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cccc(=O)n2C)n1 ZINC001382248264 922641414 /nfs/dbraw/zinc/64/14/14/922641414.db2.gz LBIRJMQKMKPLMI-GFCCVEGCSA-N 1 1 319.365 -1.001 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2c[nH]c(=O)n2C)n1 ZINC001382253935 922643564 /nfs/dbraw/zinc/64/35/64/922643564.db2.gz YIGGJXVRTBIECJ-SNVBAGLBSA-N 1 1 308.342 -1.260 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001382250891 922644089 /nfs/dbraw/zinc/64/40/89/922644089.db2.gz ONOVPGCWCKWTPE-NSHDSACASA-N 1 1 302.419 -1.223 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001382250891 922644097 /nfs/dbraw/zinc/64/40/97/922644097.db2.gz ONOVPGCWCKWTPE-NSHDSACASA-N 1 1 302.419 -1.223 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001382252712 922644478 /nfs/dbraw/zinc/64/44/78/922644478.db2.gz IZQUWHJDWQMHJQ-SNVBAGLBSA-N 1 1 320.353 -1.272 20 0 DAADMO O=C(NC[C@H](CO)N[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001382268240 922651298 /nfs/dbraw/zinc/65/12/98/922651298.db2.gz UFFBIKHUNCWIFM-VXGBXAGGSA-N 1 1 310.398 -1.573 20 0 DAADMO CNC(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001382266819 922653258 /nfs/dbraw/zinc/65/32/58/922653258.db2.gz VETOXWKTPVJVPW-ZDUSSCGKSA-N 1 1 314.430 -1.081 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271711 922658382 /nfs/dbraw/zinc/65/83/82/922658382.db2.gz DXZUFKKBAOMBTC-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccccn2)C1 ZINC001382271711 922658389 /nfs/dbraw/zinc/65/83/89/922658389.db2.gz DXZUFKKBAOMBTC-WCQYABFASA-N 1 1 322.365 -1.381 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001382277188 922660862 /nfs/dbraw/zinc/66/08/62/922660862.db2.gz ZYCNVHHREXZXJJ-UWVGGRQHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001382277187 922663049 /nfs/dbraw/zinc/66/30/49/922663049.db2.gz ZYCNVHHREXZXJJ-NXEZZACHSA-N 1 1 315.374 -2.268 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC001382279593 922665487 /nfs/dbraw/zinc/66/54/87/922665487.db2.gz DLGWDLOGYYLDHO-JTQLQIEISA-N 1 1 318.399 -1.579 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)[C@H]1C ZINC001382297097 922671335 /nfs/dbraw/zinc/67/13/35/922671335.db2.gz GSAWOMZIEICTLY-KOLCDFICSA-N 1 1 309.374 -1.177 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)CNC(=O)C1CC1 ZINC001382301449 922676301 /nfs/dbraw/zinc/67/63/01/922676301.db2.gz KNTSEYZVVYAVPA-KOLCDFICSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CCNC(N)=O ZINC001382313041 922680763 /nfs/dbraw/zinc/68/07/63/922680763.db2.gz JGDRHZFJYXYXRP-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cncn1 ZINC001382316744 922681290 /nfs/dbraw/zinc/68/12/90/922681290.db2.gz NXZXUPUTNZLLCQ-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC001382317816 922681364 /nfs/dbraw/zinc/68/13/64/922681364.db2.gz FHACJSDUDUZXSJ-SGMGOOAPSA-N 1 1 324.385 -1.206 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1cnn(C)c1 ZINC001382315767 922681752 /nfs/dbraw/zinc/68/17/52/922681752.db2.gz YAQZVUBCISTUBI-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001382312296 922682156 /nfs/dbraw/zinc/68/21/56/922682156.db2.gz PSYDSAQGOLIAQN-CMPLNLGQSA-N 1 1 309.370 -1.421 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382318220 922682325 /nfs/dbraw/zinc/68/23/25/922682325.db2.gz BIRJAPDYOKZUEZ-RYUDHWBXSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CCNC(N)=O ZINC001382321572 922683582 /nfs/dbraw/zinc/68/35/82/922683582.db2.gz ZANLEHYUWBRTTL-ZJUUUORDSA-N 1 1 309.374 -1.048 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323760 922684821 /nfs/dbraw/zinc/68/48/21/922684821.db2.gz HYPCFKLYPOSMJZ-JQWIXIFHSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323760 922684831 /nfs/dbraw/zinc/68/48/31/922684831.db2.gz HYPCFKLYPOSMJZ-JQWIXIFHSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323766 922685084 /nfs/dbraw/zinc/68/50/84/922685084.db2.gz HYPCFKLYPOSMJZ-PWSUYJOCSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccco2)C1 ZINC001382323766 922685093 /nfs/dbraw/zinc/68/50/93/922685093.db2.gz HYPCFKLYPOSMJZ-PWSUYJOCSA-N 1 1 311.338 -1.183 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCCS(N)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001382336922 922689174 /nfs/dbraw/zinc/68/91/74/922689174.db2.gz LZHYJQJPEDOQTC-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCCS(N)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001382336922 922689181 /nfs/dbraw/zinc/68/91/81/922689181.db2.gz LZHYJQJPEDOQTC-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382370725 922699923 /nfs/dbraw/zinc/69/99/23/922699923.db2.gz SBJPYDAHVUZEAU-ZJUUUORDSA-N 1 1 310.358 -1.586 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2cc[nH]n2)C1 ZINC001382370480 922700264 /nfs/dbraw/zinc/70/02/64/922700264.db2.gz DKNXTLGEAYZIRN-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO Cc1c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001382371480 922700780 /nfs/dbraw/zinc/70/07/80/922700780.db2.gz QNUKGHQCBQCXHP-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cc1cncnc1 ZINC001382370022 922702607 /nfs/dbraw/zinc/70/26/07/922702607.db2.gz PYFSJLRPTLSDFF-CHWSQXEVSA-N 1 1 321.381 -1.293 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001382374084 922705558 /nfs/dbraw/zinc/70/55/58/922705558.db2.gz UNQGZAOPOKXZSF-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccncc1 ZINC001382378574 922708504 /nfs/dbraw/zinc/70/85/04/922708504.db2.gz WHJWIUCNAZPGGK-LLVKDONJSA-N 1 1 305.342 -1.172 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001382385363 922709836 /nfs/dbraw/zinc/70/98/36/922709836.db2.gz BFGHYYANTIKJGZ-UWVGGRQHSA-N 1 1 300.363 -1.284 20 0 DAADMO CO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C)C1CC1 ZINC001382393742 922715693 /nfs/dbraw/zinc/71/56/93/922715693.db2.gz OGZJMLLOZOVJBP-PWSUYJOCSA-N 1 1 312.374 -1.456 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001382395106 922716271 /nfs/dbraw/zinc/71/62/71/922716271.db2.gz UDISEPGVPSTEIT-YUMQZZPRSA-N 1 1 313.318 -2.773 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)n1 ZINC001382396143 922716308 /nfs/dbraw/zinc/71/63/08/922716308.db2.gz YVOWKHYSWDPVSU-MNOVXSKESA-N 1 1 323.353 -1.198 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O)o1 ZINC001382395935 922716369 /nfs/dbraw/zinc/71/63/69/922716369.db2.gz YIEIGCWLCAPNCF-VHSXEESVSA-N 1 1 313.358 -1.051 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C1=COCCO1 ZINC001382393485 922718022 /nfs/dbraw/zinc/71/80/22/922718022.db2.gz NBNINCJMFFIIIG-NSHDSACASA-N 1 1 311.342 -1.388 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001382398728 922718726 /nfs/dbraw/zinc/71/87/26/922718726.db2.gz FMZBUCIKELFRFN-VIFPVBQESA-N 1 1 308.346 -1.361 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CN1CCCC1=O ZINC001382399270 922721033 /nfs/dbraw/zinc/72/10/33/922721033.db2.gz YCAQEYLSDAEBIC-NSHDSACASA-N 1 1 311.342 -1.399 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1nc[nH]n1 ZINC001382401373 922723779 /nfs/dbraw/zinc/72/37/79/922723779.db2.gz PXFRKVZNSOIHRW-JTQLQIEISA-N 1 1 312.374 -1.766 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CNC(=O)N1 ZINC001382410251 922728544 /nfs/dbraw/zinc/72/85/44/922728544.db2.gz AXEMMQDRCXYGJD-VHSXEESVSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001382410220 922728781 /nfs/dbraw/zinc/72/87/81/922728781.db2.gz BBQBXKIVEAJROE-SECBINFHSA-N 1 1 323.357 -1.225 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ncn(C)n1 ZINC001382417271 922735084 /nfs/dbraw/zinc/73/50/84/922735084.db2.gz YTBYDCQLSASMHR-SNVBAGLBSA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1ncn(C)n1 ZINC001382417270 922735593 /nfs/dbraw/zinc/73/55/93/922735593.db2.gz YTBYDCQLSASMHR-JTQLQIEISA-N 1 1 308.346 -1.834 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382421129 922736987 /nfs/dbraw/zinc/73/69/87/922736987.db2.gz SULXLAZKDLXFGC-WUHRBBMRSA-N 1 1 309.370 -1.384 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@]1(F)CCOC1 ZINC001382419336 922737208 /nfs/dbraw/zinc/73/72/08/922737208.db2.gz PCWOQPXCXWGRHH-AAEUAGOBSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001382420769 922737360 /nfs/dbraw/zinc/73/73/60/922737360.db2.gz MGPRVFGSILONRQ-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001382420766 922737773 /nfs/dbraw/zinc/73/77/73/922737773.db2.gz MGPRVFGSILONRQ-CHWSQXEVSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)[nH]1 ZINC001382421177 922738701 /nfs/dbraw/zinc/73/87/01/922738701.db2.gz UGSRAPFFCLIFBK-MRVPVSSYSA-N 1 1 309.334 -2.141 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001382421921 922740665 /nfs/dbraw/zinc/74/06/65/922740665.db2.gz UWUADIATAWIKAC-SNVBAGLBSA-N 1 1 310.358 -1.632 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001382421913 922741058 /nfs/dbraw/zinc/74/10/58/922741058.db2.gz UWUADIATAWIKAC-JTQLQIEISA-N 1 1 310.358 -1.632 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cn[nH]c(=O)c1 ZINC001382421410 922741786 /nfs/dbraw/zinc/74/17/86/922741786.db2.gz WEVWQMAMBMQLRW-SNVBAGLBSA-N 1 1 308.298 -1.212 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccnnc1)c1nnnn1C ZINC001382426801 922744104 /nfs/dbraw/zinc/74/41/04/922744104.db2.gz TXCJQTSUFVZMJM-GXSJLCMTSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccnnc1)c1nnnn1C ZINC001382426809 922745228 /nfs/dbraw/zinc/74/52/28/922745228.db2.gz TXCJQTSUFVZMJM-MWLCHTKSSA-N 1 1 320.357 -1.216 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ccnnc1)c1nnnn1C ZINC001382426814 922745844 /nfs/dbraw/zinc/74/58/44/922745844.db2.gz TXCJQTSUFVZMJM-ONGXEEELSA-N 1 1 320.357 -1.216 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)CCn1cnnn1 ZINC001382429241 922745910 /nfs/dbraw/zinc/74/59/10/922745910.db2.gz WGMALCSCWRQTDO-LLVKDONJSA-N 1 1 320.357 -1.538 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382434069 922747305 /nfs/dbraw/zinc/74/73/05/922747305.db2.gz MJPPACCAMPLTLQ-UWVGGRQHSA-N 1 1 310.358 -1.997 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cccnn2)C1 ZINC001382438133 922751540 /nfs/dbraw/zinc/75/15/40/922751540.db2.gz DQWKRFNFBFMNAU-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cccnn2)C1 ZINC001382438132 922753566 /nfs/dbraw/zinc/75/35/66/922753566.db2.gz DQWKRFNFBFMNAU-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O ZINC001382442489 922755003 /nfs/dbraw/zinc/75/50/03/922755003.db2.gz RNLFPNZDQKOXML-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2csnn2)C1 ZINC001382441089 922755712 /nfs/dbraw/zinc/75/57/12/922755712.db2.gz QJRDYIQGLDAMDR-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNCc1cnn(C)n1 ZINC001382440819 922756368 /nfs/dbraw/zinc/75/63/68/922756368.db2.gz KIMAHDFWLCNMCP-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001382443138 922756587 /nfs/dbraw/zinc/75/65/87/922756587.db2.gz CVFVVWQITQUIEY-NXEZZACHSA-N 1 1 318.374 -1.772 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001382443138 922756594 /nfs/dbraw/zinc/75/65/94/922756594.db2.gz CVFVVWQITQUIEY-NXEZZACHSA-N 1 1 318.374 -1.772 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2csnn2)C1 ZINC001382441086 922756636 /nfs/dbraw/zinc/75/66/36/922756636.db2.gz QJRDYIQGLDAMDR-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001382441695 922757179 /nfs/dbraw/zinc/75/71/79/922757179.db2.gz PRVPLCXYCXLOKT-RYUDHWBXSA-N 1 1 312.370 -1.151 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ccncn1 ZINC001382444252 922757733 /nfs/dbraw/zinc/75/77/33/922757733.db2.gz WPPHWETWOIPFKH-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CN(C[C@H](O)CNCc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382444905 922757951 /nfs/dbraw/zinc/75/79/51/922757951.db2.gz POGFGDJYENUZOE-WCQYABFASA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)CNCc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382444905 922757960 /nfs/dbraw/zinc/75/79/60/922757960.db2.gz POGFGDJYENUZOE-WCQYABFASA-N 1 1 310.402 -1.324 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001382446732 922757986 /nfs/dbraw/zinc/75/79/86/922757986.db2.gz SOTZHHSCZJKOMQ-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CN1CCCC1 ZINC001382445793 922758053 /nfs/dbraw/zinc/75/80/53/922758053.db2.gz RFUCQAAENHDLJU-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001382444839 922758170 /nfs/dbraw/zinc/75/81/70/922758170.db2.gz XSZWPAYTXOMXME-GXSJLCMTSA-N 1 1 323.353 -1.659 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)CS(C)(=O)=O ZINC001382447736 922758310 /nfs/dbraw/zinc/75/83/10/922758310.db2.gz SJINFXWGMBDUNR-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cnccn1 ZINC001382444812 922758831 /nfs/dbraw/zinc/75/88/31/922758831.db2.gz XHCHMIRZNMEXEH-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CO[C@@H](C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCN1CCNC1=O ZINC001382447434 922758870 /nfs/dbraw/zinc/75/88/70/922758870.db2.gz RQWPTHCUTJHVFZ-RYUDHWBXSA-N 1 1 316.402 -1.202 20 0 DAADMO Cc1nccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001382446725 922758959 /nfs/dbraw/zinc/75/89/59/922758959.db2.gz SOTZHHSCZJKOMQ-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001382445535 922759375 /nfs/dbraw/zinc/75/93/75/922759375.db2.gz YGWJWICWFGWVND-ONGXEEELSA-N 1 1 323.353 -1.565 20 0 DAADMO Cc1nccc(C(=O)NC[C@H](CO)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001382446727 922759413 /nfs/dbraw/zinc/75/94/13/922759413.db2.gz SOTZHHSCZJKOMQ-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001382444941 922760390 /nfs/dbraw/zinc/76/03/90/922760390.db2.gz YKJBQZATOHUBAI-RYUDHWBXSA-N 1 1 322.365 -1.054 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001382444726 922760523 /nfs/dbraw/zinc/76/05/23/922760523.db2.gz VVIUGIDVLJNNAX-MNOVXSKESA-N 1 1 315.370 -1.110 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCOCC1 ZINC001382450546 922761088 /nfs/dbraw/zinc/76/10/88/922761088.db2.gz FWFZIJRLLKQCHC-ZDUSSCGKSA-N 1 1 303.403 -1.548 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448683 922761505 /nfs/dbraw/zinc/76/15/05/922761505.db2.gz GMUYHISKXXSMEH-GXSJLCMTSA-N 1 1 314.386 -1.863 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001382448683 922761521 /nfs/dbraw/zinc/76/15/21/922761521.db2.gz GMUYHISKXXSMEH-GXSJLCMTSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001382450377 922761778 /nfs/dbraw/zinc/76/17/78/922761778.db2.gz DLNSWYDUTQANJK-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001382450377 922761793 /nfs/dbraw/zinc/76/17/93/922761793.db2.gz DLNSWYDUTQANJK-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001382452433 922762276 /nfs/dbraw/zinc/76/22/76/922762276.db2.gz DIAPGXOPAXNLLK-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001382450381 922762323 /nfs/dbraw/zinc/76/23/23/922762323.db2.gz DLNSWYDUTQANJK-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001382450381 922762337 /nfs/dbraw/zinc/76/23/37/922762337.db2.gz DLNSWYDUTQANJK-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001382452357 922762632 /nfs/dbraw/zinc/76/26/32/922762632.db2.gz FGGVJWAAKXYFSF-CHWSQXEVSA-N 1 1 312.370 -1.151 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(=O)NC ZINC001382460168 922764700 /nfs/dbraw/zinc/76/47/00/922764700.db2.gz GUDLVVHDCUNRJL-SNVBAGLBSA-N 1 1 317.390 -2.197 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(=O)NC ZINC001382460168 922764713 /nfs/dbraw/zinc/76/47/13/922764713.db2.gz GUDLVVHDCUNRJL-SNVBAGLBSA-N 1 1 317.390 -2.197 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001382462154 922768085 /nfs/dbraw/zinc/76/80/85/922768085.db2.gz MEPHEYJHYGZPSB-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001382462154 922768106 /nfs/dbraw/zinc/76/81/06/922768106.db2.gz MEPHEYJHYGZPSB-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001382463929 922768206 /nfs/dbraw/zinc/76/82/06/922768206.db2.gz RHRLCLYYOYEHLV-SECBINFHSA-N 1 1 303.363 -2.588 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001382463929 922768218 /nfs/dbraw/zinc/76/82/18/922768218.db2.gz RHRLCLYYOYEHLV-SECBINFHSA-N 1 1 303.363 -2.588 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001382465886 922768384 /nfs/dbraw/zinc/76/83/84/922768384.db2.gz RTCLKOHCVXWYDP-QWRGUYRKSA-N 1 1 324.385 -1.449 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nccn2C1 ZINC001382464558 922768490 /nfs/dbraw/zinc/76/84/90/922768490.db2.gz BNPYIYRYFQSOMX-RYUDHWBXSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nccn2C1 ZINC001382464558 922768499 /nfs/dbraw/zinc/76/84/99/922768499.db2.gz BNPYIYRYFQSOMX-RYUDHWBXSA-N 1 1 323.397 -1.318 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001382465891 922768630 /nfs/dbraw/zinc/76/86/30/922768630.db2.gz RTCLKOHCVXWYDP-WDEREUQCSA-N 1 1 324.385 -1.449 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382466756 922769376 /nfs/dbraw/zinc/76/93/76/922769376.db2.gz ICJOKRKMBBFWFJ-IEECTRCBSA-N 1 1 313.398 -1.106 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001382466749 922769729 /nfs/dbraw/zinc/76/97/29/922769729.db2.gz ICJOKRKMBBFWFJ-BNDIWNMDSA-N 1 1 313.398 -1.106 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ncnc2[nH]ccc21 ZINC001382464575 922770097 /nfs/dbraw/zinc/77/00/97/922770097.db2.gz BSPBCPJDLXMHER-VIFPVBQESA-N 1 1 320.353 -1.241 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ncnc2[nH]ccc21 ZINC001382464575 922770107 /nfs/dbraw/zinc/77/01/07/922770107.db2.gz BSPBCPJDLXMHER-VIFPVBQESA-N 1 1 320.353 -1.241 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001382462276 922770568 /nfs/dbraw/zinc/77/05/68/922770568.db2.gz UZQVZBITQYLNQL-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001382462276 922770581 /nfs/dbraw/zinc/77/05/81/922770581.db2.gz UZQVZBITQYLNQL-MNOVXSKESA-N 1 1 322.369 -1.647 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCn2ccnc2C1 ZINC001382464401 922770917 /nfs/dbraw/zinc/77/09/17/922770917.db2.gz AWQJWSRUUDZFFD-NWDGAFQWSA-N 1 1 323.397 -1.318 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCn2ccnc2C1 ZINC001382464401 922770932 /nfs/dbraw/zinc/77/09/32/922770932.db2.gz AWQJWSRUUDZFFD-NWDGAFQWSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001382466460 922771046 /nfs/dbraw/zinc/77/10/46/922771046.db2.gz XXORDARFCXDFGW-GFCCVEGCSA-N 1 1 311.386 -1.493 20 0 DAADMO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001382466460 922771060 /nfs/dbraw/zinc/77/10/60/922771060.db2.gz XXORDARFCXDFGW-GFCCVEGCSA-N 1 1 311.386 -1.493 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001382469315 922772479 /nfs/dbraw/zinc/77/24/79/922772479.db2.gz AGTYLVZQRFBVFN-VHSXEESVSA-N 1 1 300.363 -1.390 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1 ZINC001382472605 922772678 /nfs/dbraw/zinc/77/26/78/922772678.db2.gz JIGCXCILCQFTRS-NSHDSACASA-N 1 1 324.385 -1.290 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1 ZINC001382472605 922772688 /nfs/dbraw/zinc/77/26/88/922772688.db2.gz JIGCXCILCQFTRS-NSHDSACASA-N 1 1 324.385 -1.290 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468386 922773383 /nfs/dbraw/zinc/77/33/83/922773383.db2.gz HCNTXZGHOVYQIG-ZYHUDNBSSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468386 922773400 /nfs/dbraw/zinc/77/34/00/922773400.db2.gz HCNTXZGHOVYQIG-ZYHUDNBSSA-N 1 1 324.381 -1.376 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001382467458 922773525 /nfs/dbraw/zinc/77/35/25/922773525.db2.gz HBLGGLXWFCNBGI-NSHDSACASA-N 1 1 310.354 -1.765 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001382467458 922773538 /nfs/dbraw/zinc/77/35/38/922773538.db2.gz HBLGGLXWFCNBGI-NSHDSACASA-N 1 1 310.354 -1.765 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468357 922773903 /nfs/dbraw/zinc/77/39/03/922773903.db2.gz HCNTXZGHOVYQIG-CMPLNLGQSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001382468357 922773912 /nfs/dbraw/zinc/77/39/12/922773912.db2.gz HCNTXZGHOVYQIG-CMPLNLGQSA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCNC1=O ZINC001382472295 922774472 /nfs/dbraw/zinc/77/44/72/922774472.db2.gz NWZMBDYZZMAHHG-NEPJUHHUSA-N 1 1 316.402 -1.466 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001382471447 922775265 /nfs/dbraw/zinc/77/52/65/922775265.db2.gz HXQQUAXADCTOEE-NWDGAFQWSA-N 1 1 312.370 -1.151 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nonc1C ZINC001382477773 922776113 /nfs/dbraw/zinc/77/61/13/922776113.db2.gz YLXWMOBGARADFR-SNVBAGLBSA-N 1 1 313.358 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nonc1C ZINC001382477773 922776137 /nfs/dbraw/zinc/77/61/37/922776137.db2.gz YLXWMOBGARADFR-SNVBAGLBSA-N 1 1 313.358 -1.582 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001382474371 922776297 /nfs/dbraw/zinc/77/62/97/922776297.db2.gz ACCOOTDFEBIHTC-GHMZBOCLSA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001382476303 922776373 /nfs/dbraw/zinc/77/63/73/922776373.db2.gz FBMGQSOSBRAUOA-WDEREUQCSA-N 1 1 324.385 -1.923 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCc2nncn2C1 ZINC001382476303 922776391 /nfs/dbraw/zinc/77/63/91/922776391.db2.gz FBMGQSOSBRAUOA-WDEREUQCSA-N 1 1 324.385 -1.923 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nonc1C ZINC001382477769 922777194 /nfs/dbraw/zinc/77/71/94/922777194.db2.gz YLXWMOBGARADFR-JTQLQIEISA-N 1 1 313.358 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nonc1C ZINC001382477769 922777208 /nfs/dbraw/zinc/77/72/08/922777208.db2.gz YLXWMOBGARADFR-JTQLQIEISA-N 1 1 313.358 -1.582 20 0 DAADMO COC[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382476416 922778106 /nfs/dbraw/zinc/77/81/06/922778106.db2.gz PLTIRWKKDKCALU-MGPQQGTHSA-N 1 1 317.430 -1.161 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001382476416 922778116 /nfs/dbraw/zinc/77/81/16/922778116.db2.gz PLTIRWKKDKCALU-MGPQQGTHSA-N 1 1 317.430 -1.161 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001382475820 922778400 /nfs/dbraw/zinc/77/84/00/922778400.db2.gz UPKKISZCPGDSJS-GHMZBOCLSA-N 1 1 307.354 -1.270 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001382474806 922778702 /nfs/dbraw/zinc/77/87/02/922778702.db2.gz SKPFHEHVLPFRAW-ONGXEEELSA-N 1 1 312.370 -1.141 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001382474392 922779053 /nfs/dbraw/zinc/77/90/53/922779053.db2.gz ACCOOTDFEBIHTC-WDEREUQCSA-N 1 1 307.416 -1.162 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001382479114 922782082 /nfs/dbraw/zinc/78/20/82/922782082.db2.gz VMNNAWAWQVQNHL-JTQLQIEISA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001382479114 922782099 /nfs/dbraw/zinc/78/20/99/922782099.db2.gz VMNNAWAWQVQNHL-JTQLQIEISA-N 1 1 321.341 -2.026 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1nccnc1C(N)=O ZINC001382485914 922784458 /nfs/dbraw/zinc/78/44/58/922784458.db2.gz ZAJAOMLQNQVUFQ-VIFPVBQESA-N 1 1 311.342 -2.068 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC001382525525 922792680 /nfs/dbraw/zinc/79/26/80/922792680.db2.gz GKLCCOWKTVSLML-JTQLQIEISA-N 1 1 311.346 -2.374 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC001382525525 922792689 /nfs/dbraw/zinc/79/26/89/922792689.db2.gz GKLCCOWKTVSLML-JTQLQIEISA-N 1 1 311.346 -2.374 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)Cn1ncnn1 ZINC001382524531 922792711 /nfs/dbraw/zinc/79/27/11/922792711.db2.gz NDHAGVFONHOCIN-JTQLQIEISA-N 1 1 322.329 -2.528 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001382524488 922792880 /nfs/dbraw/zinc/79/28/80/922792880.db2.gz MNVLMLNCNAGQPF-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1nccc1C(=O)N[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382521527 922793939 /nfs/dbraw/zinc/79/39/39/922793939.db2.gz MCMQQSUYKQZLFH-NWDGAFQWSA-N 1 1 323.397 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NC(=O)c2ccn[nH]2)C1 ZINC001382520694 922794286 /nfs/dbraw/zinc/79/42/86/922794286.db2.gz LKBDQWKJGPCZAP-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@@H]1CCNC1=O ZINC001382530853 922795047 /nfs/dbraw/zinc/79/50/47/922795047.db2.gz TZSVHMRATDVOPC-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)NC(C)=O)[C@@H]1CCNC1=O ZINC001382530853 922795062 /nfs/dbraw/zinc/79/50/62/922795062.db2.gz TZSVHMRATDVOPC-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1cnnn1 ZINC001382547863 922798207 /nfs/dbraw/zinc/79/82/07/922798207.db2.gz GAIYIQSWRVHVIV-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nnc1C ZINC001382554460 922801543 /nfs/dbraw/zinc/80/15/43/922801543.db2.gz CUMVQXTVZGWCMH-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001382551862 922802891 /nfs/dbraw/zinc/80/28/91/922802891.db2.gz WXLAVCHDURIXJT-WDEREUQCSA-N 1 1 324.385 -1.196 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001382554022 922803250 /nfs/dbraw/zinc/80/32/50/922803250.db2.gz UCFZENMXQDUJPK-MNOVXSKESA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382551857 922803336 /nfs/dbraw/zinc/80/33/36/922803336.db2.gz WXLAVCHDURIXJT-MNOVXSKESA-N 1 1 324.385 -1.196 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001382625965 922823087 /nfs/dbraw/zinc/82/30/87/922823087.db2.gz YDMUXFQTBPBXLL-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCOC1 ZINC001382625958 922823355 /nfs/dbraw/zinc/82/33/55/922823355.db2.gz YDMUXFQTBPBXLL-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2ncn(C)n2)C1 ZINC001382626797 922823375 /nfs/dbraw/zinc/82/33/75/922823375.db2.gz AYVBGDGMBGJJEP-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO CCOCC(=O)N[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001382630374 922824440 /nfs/dbraw/zinc/82/44/40/922824440.db2.gz LXBYBBBBYCNZJZ-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001382631012 922825088 /nfs/dbraw/zinc/82/50/88/922825088.db2.gz RFEBWMNJJIIAAL-AXFHLTTASA-N 1 1 314.386 -1.959 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001382639041 922825773 /nfs/dbraw/zinc/82/57/73/922825773.db2.gz VFOBMUSWMMDKCI-JTQLQIEISA-N 1 1 321.341 -1.854 20 0 DAADMO C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001382653253 922827997 /nfs/dbraw/zinc/82/79/97/922827997.db2.gz LNPVCJKYJSYUGH-CYBMUJFWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNC(=O)CNC(N)=O)C2)C1 ZINC001382669786 922830784 /nfs/dbraw/zinc/83/07/84/922830784.db2.gz YURFEULUODDCDT-HSOILSAZSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382893705 922840877 /nfs/dbraw/zinc/84/08/77/922840877.db2.gz KIRXTPOIFQWBMN-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382958026 922854634 /nfs/dbraw/zinc/85/46/34/922854634.db2.gz VYPNBLXJDJKBGH-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)nn1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382958026 922854653 /nfs/dbraw/zinc/85/46/53/922854653.db2.gz VYPNBLXJDJKBGH-PWSUYJOCSA-N 1 1 324.385 -1.278 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1ncn(C)n1 ZINC001382988584 922862940 /nfs/dbraw/zinc/86/29/40/922862940.db2.gz PIPYEFQWQWXIEJ-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1ncn(C)n1 ZINC001382988612 922863039 /nfs/dbraw/zinc/86/30/39/922863039.db2.gz PIPYEFQWQWXIEJ-WDEREUQCSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)c1nnn(C)n1 ZINC001382991122 922863113 /nfs/dbraw/zinc/86/31/13/922863113.db2.gz DGCJXCIAPKMMMY-VHSXEESVSA-N 1 1 309.374 -1.262 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001383041093 922873197 /nfs/dbraw/zinc/87/31/97/922873197.db2.gz ROGIUJUMNPDOQG-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)CNC(N)=O ZINC001383060890 922875192 /nfs/dbraw/zinc/87/51/92/922875192.db2.gz YOOQRVBEFQHPPH-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001383089036 922881340 /nfs/dbraw/zinc/88/13/40/922881340.db2.gz UOPGXEYEXWZDFC-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1nnc[nH]1 ZINC001383092692 922882708 /nfs/dbraw/zinc/88/27/08/922882708.db2.gz YZPKTEIJAXWNGF-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1nnc[nH]1 ZINC001383092703 922884833 /nfs/dbraw/zinc/88/48/33/922884833.db2.gz YZPKTEIJAXWNGF-WDEREUQCSA-N 1 1 324.385 -1.623 20 0 DAADMO COCC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383103435 922885287 /nfs/dbraw/zinc/88/52/87/922885287.db2.gz NRFWDTIHXSUXIJ-NWDGAFQWSA-N 1 1 301.387 -1.138 20 0 DAADMO CC[C@H](C(=O)N1CC(CCO)(NC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001383154666 922893152 /nfs/dbraw/zinc/89/31/52/922893152.db2.gz QFVNGIBMUNEQCO-LLVKDONJSA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NC(=O)CNC(N)=O)C1 ZINC001383425546 922906737 /nfs/dbraw/zinc/90/67/37/922906737.db2.gz LXOXONNUBKNAEI-WHXUTIOJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383729091 922917070 /nfs/dbraw/zinc/91/70/70/922917070.db2.gz DQTRISLMUBTOOM-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001383724755 922917463 /nfs/dbraw/zinc/91/74/63/922917463.db2.gz XZWCQHIBSMMTOI-MWLCHTKSSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001383724067 922917896 /nfs/dbraw/zinc/91/78/96/922917896.db2.gz GCNVLTPMZWUJRA-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001383724070 922918058 /nfs/dbraw/zinc/91/80/58/922918058.db2.gz GCNVLTPMZWUJRA-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001383724758 922918499 /nfs/dbraw/zinc/91/84/99/922918499.db2.gz XZWCQHIBSMMTOI-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383724707 922918650 /nfs/dbraw/zinc/91/86/50/922918650.db2.gz KGAVJYBFLBAUQX-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383724709 922919288 /nfs/dbraw/zinc/91/92/88/922919288.db2.gz KGAVJYBFLBAUQX-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857468 922931766 /nfs/dbraw/zinc/93/17/66/922931766.db2.gz GRDFYEHFULDVBK-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnccn2)C1 ZINC001383857468 922931779 /nfs/dbraw/zinc/93/17/79/922931779.db2.gz GRDFYEHFULDVBK-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)C2CCOCC2)C1 ZINC001383856524 922931931 /nfs/dbraw/zinc/93/19/31/922931931.db2.gz VPZZFVKLELEWQD-STQMWFEESA-N 1 1 313.398 -1.042 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001383869514 922943278 /nfs/dbraw/zinc/94/32/78/922943278.db2.gz XTEBOSXRCHYLRS-NEPJUHHUSA-N 1 1 309.370 -1.279 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383872856 922943355 /nfs/dbraw/zinc/94/33/55/922943355.db2.gz IQTULAQGFSQLJX-VXGBXAGGSA-N 1 1 314.386 -1.990 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383872854 922944220 /nfs/dbraw/zinc/94/42/20/922944220.db2.gz IQTULAQGFSQLJX-RYUDHWBXSA-N 1 1 314.386 -1.990 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001383869521 922944344 /nfs/dbraw/zinc/94/43/44/922944344.db2.gz XTEBOSXRCHYLRS-RYUDHWBXSA-N 1 1 309.370 -1.279 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001383877385 922948503 /nfs/dbraw/zinc/94/85/03/922948503.db2.gz JYRXGCOHNMZDIQ-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO Cn1cc(CC(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC001383877383 922948766 /nfs/dbraw/zinc/94/87/66/922948766.db2.gz JYRXGCOHNMZDIQ-OLZOCXBDSA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)CCn1cccn1 ZINC001383881334 922952344 /nfs/dbraw/zinc/95/23/44/922952344.db2.gz ZNNZLPZSXYMSIX-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887541 922956860 /nfs/dbraw/zinc/95/68/60/922956860.db2.gz HIJCEVBGNWSBOE-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccoc2)C1 ZINC001383887541 922956868 /nfs/dbraw/zinc/95/68/68/922956868.db2.gz HIJCEVBGNWSBOE-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CC1(O)CCC1 ZINC001383888353 922957955 /nfs/dbraw/zinc/95/79/55/922957955.db2.gz CBQIYSXZDZEALI-VXGBXAGGSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001383890325 922959476 /nfs/dbraw/zinc/95/94/76/922959476.db2.gz RLRQYWDVCYIJAQ-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC(C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001383890325 922959489 /nfs/dbraw/zinc/95/94/89/922959489.db2.gz RLRQYWDVCYIJAQ-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccnnc1 ZINC001383895939 922962319 /nfs/dbraw/zinc/96/23/19/922962319.db2.gz RUHUHFMCRDMWLO-RYUDHWBXSA-N 1 1 307.354 -1.222 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001383897354 922963027 /nfs/dbraw/zinc/96/30/27/922963027.db2.gz UMDZBGUMTZJXHE-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C ZINC001383901151 922966575 /nfs/dbraw/zinc/96/65/75/922966575.db2.gz YWXOGDHJGWTJPE-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001383914076 922974309 /nfs/dbraw/zinc/97/43/09/922974309.db2.gz WRXXATCMZMQBTI-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)COCC2CC2)C1 ZINC001383922867 922976930 /nfs/dbraw/zinc/97/69/30/922976930.db2.gz CERQGVOHCPHCDT-QWHCGFSZSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2cccn2)CC[N@H+]1C ZINC001383925882 922979140 /nfs/dbraw/zinc/97/91/40/922979140.db2.gz GXJAIUMIRLHVGW-JHJVBQTASA-N 1 1 323.397 -1.183 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001383924001 922979788 /nfs/dbraw/zinc/97/97/88/922979788.db2.gz GOMAWGQOPWYVJV-VXGBXAGGSA-N 1 1 322.365 -1.054 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001383925451 922980122 /nfs/dbraw/zinc/98/01/22/922980122.db2.gz KKPFFWOSBWECDD-UWVGGRQHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001383929919 922982860 /nfs/dbraw/zinc/98/28/60/922982860.db2.gz VGLNCGFJDGPEBZ-PWSUYJOCSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001383940694 922984626 /nfs/dbraw/zinc/98/46/26/922984626.db2.gz XTBBWOGQLGZGEG-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001383940702 922985935 /nfs/dbraw/zinc/98/59/35/922985935.db2.gz XTBBWOGQLGZGEG-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001383933454 922986186 /nfs/dbraw/zinc/98/61/86/922986186.db2.gz VWHUWUTXAAULMP-SNVBAGLBSA-N 1 1 313.362 -2.393 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1nccnc1N ZINC001383944504 922988201 /nfs/dbraw/zinc/98/82/01/922988201.db2.gz SUTXSVNQUWPYTR-JTQLQIEISA-N 1 1 324.385 -1.394 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn1cccn1)C1CCC1 ZINC001383946216 922988384 /nfs/dbraw/zinc/98/83/84/922988384.db2.gz WRISTKFFBVCLSQ-LBPRGKRZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)Cn1ccnc1 ZINC001383951202 922989721 /nfs/dbraw/zinc/98/97/21/922989721.db2.gz IKEUBMGAWIEDPM-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001383967134 922996660 /nfs/dbraw/zinc/99/66/60/922996660.db2.gz FFFCSVUIEAKCAL-JTQLQIEISA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cn(C)nn1 ZINC001383969279 922998200 /nfs/dbraw/zinc/99/82/00/922998200.db2.gz NTIZQOMHRKIZDE-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001383970948 922998375 /nfs/dbraw/zinc/99/83/75/922998375.db2.gz AZKIHDFJVZOWBE-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO COCCC(=O)N[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001383970943 922998695 /nfs/dbraw/zinc/99/86/95/922998695.db2.gz AZKIHDFJVZOWBE-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1csnn1 ZINC001383981869 923002786 /nfs/dbraw/zinc/00/27/86/923002786.db2.gz JXGMVMRBQRPUNJ-WPRPVWTQSA-N 1 1 313.383 -1.161 20 0 DAADMO Cn1cc(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001383982711 923006248 /nfs/dbraw/zinc/00/62/48/923006248.db2.gz UXXPBTMAQREWNS-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383983638 923006822 /nfs/dbraw/zinc/00/68/22/923006822.db2.gz WBFCTQNCRDESLT-JQWIXIFHSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NC(=O)c2cn[nH]c2)C1 ZINC001383983637 923007110 /nfs/dbraw/zinc/00/71/10/923007110.db2.gz WBFCTQNCRDESLT-CMPLNLGQSA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(=O)[nH]n1 ZINC001383986072 923007856 /nfs/dbraw/zinc/00/78/56/923007856.db2.gz RNCORSAHIYFNIN-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001383993844 923014066 /nfs/dbraw/zinc/01/40/66/923014066.db2.gz QJCFPFLIDSKFLZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993844 923014083 /nfs/dbraw/zinc/01/40/83/923014083.db2.gz QJCFPFLIDSKFLZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001383993844 923014097 /nfs/dbraw/zinc/01/40/97/923014097.db2.gz QJCFPFLIDSKFLZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993844 923014111 /nfs/dbraw/zinc/01/41/11/923014111.db2.gz QJCFPFLIDSKFLZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001383993844 923014129 /nfs/dbraw/zinc/01/41/29/923014129.db2.gz QJCFPFLIDSKFLZ-GHMZBOCLSA-N 1 1 324.385 -1.114 20 0 DAADMO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001383996651 923015943 /nfs/dbraw/zinc/01/59/43/923015943.db2.gz GHDZBOORNCGCSU-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001383996651 923015956 /nfs/dbraw/zinc/01/59/56/923015956.db2.gz GHDZBOORNCGCSU-UTUOFQBUSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001384014474 923025883 /nfs/dbraw/zinc/02/58/83/923025883.db2.gz RGKTXXGFLXXMHJ-UWVGGRQHSA-N 1 1 315.374 -2.399 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnon2)C1 ZINC001384033289 923034144 /nfs/dbraw/zinc/03/41/44/923034144.db2.gz YXCYBNPDFFFTIZ-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)CNC(N)=O)C[C@@H]1C ZINC001384084213 923043393 /nfs/dbraw/zinc/04/33/93/923043393.db2.gz ASPSSBPGEMAUOT-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](NC(=O)CNC(N)=O)C[C@@H]1C ZINC001384084197 923043574 /nfs/dbraw/zinc/04/35/74/923043574.db2.gz ASPSSBPGEMAUOT-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001384203279 923056984 /nfs/dbraw/zinc/05/69/84/923056984.db2.gz XHQSCBJOBAMNHO-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001384209588 923058400 /nfs/dbraw/zinc/05/84/00/923058400.db2.gz PYVQNWMISUUHGZ-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO COCCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001384209588 923058418 /nfs/dbraw/zinc/05/84/18/923058418.db2.gz PYVQNWMISUUHGZ-GRYCIOLGSA-N 1 1 315.370 -1.959 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cn(C)nn1 ZINC001384221736 923064589 /nfs/dbraw/zinc/06/45/89/923064589.db2.gz FOWKSHAGNFRSAZ-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001384236441 923069117 /nfs/dbraw/zinc/06/91/17/923069117.db2.gz WZXWDGCSBMCXAE-NEPJUHHUSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001384232146 923071040 /nfs/dbraw/zinc/07/10/40/923071040.db2.gz WMWSIYGFSRFIAH-NEPJUHHUSA-N 1 1 314.386 -1.849 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239991 923073099 /nfs/dbraw/zinc/07/30/99/923073099.db2.gz LPFSUBDRZPNSHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001384239991 923073116 /nfs/dbraw/zinc/07/31/16/923073116.db2.gz LPFSUBDRZPNSHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239991 923073136 /nfs/dbraw/zinc/07/31/36/923073136.db2.gz LPFSUBDRZPNSHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001384239991 923073154 /nfs/dbraw/zinc/07/31/54/923073154.db2.gz LPFSUBDRZPNSHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001384239991 923073163 /nfs/dbraw/zinc/07/31/63/923073163.db2.gz LPFSUBDRZPNSHL-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1O ZINC001384238227 923073219 /nfs/dbraw/zinc/07/32/19/923073219.db2.gz YQWLYVWEZOOXMO-PWSUYJOCSA-N 1 1 324.385 -1.542 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001384260534 923080260 /nfs/dbraw/zinc/08/02/60/923080260.db2.gz BRMRJSQDLZBUDT-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001384738828 923108138 /nfs/dbraw/zinc/10/81/38/923108138.db2.gz CRBZGVHEQJRRTM-VXGBXAGGSA-N 1 1 323.397 -1.018 20 0 DAADMO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O)[NH+](C)C ZINC001384744582 923111974 /nfs/dbraw/zinc/11/19/74/923111974.db2.gz CTKUXXIOZXKHSU-OUAUKWLOSA-N 1 1 324.385 -1.245 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001384803885 923120985 /nfs/dbraw/zinc/12/09/85/923120985.db2.gz KNTXBCBBTVDKJY-UTUOFQBUSA-N 1 1 312.370 -2.095 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001385119242 923145198 /nfs/dbraw/zinc/14/51/98/923145198.db2.gz MYATUSXVCKDRKC-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001385119242 923145204 /nfs/dbraw/zinc/14/52/04/923145204.db2.gz MYATUSXVCKDRKC-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001385119242 923145211 /nfs/dbraw/zinc/14/52/11/923145211.db2.gz MYATUSXVCKDRKC-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001385119242 923145224 /nfs/dbraw/zinc/14/52/24/923145224.db2.gz MYATUSXVCKDRKC-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001385119242 923145232 /nfs/dbraw/zinc/14/52/32/923145232.db2.gz MYATUSXVCKDRKC-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001385116358 923146143 /nfs/dbraw/zinc/14/61/43/923146143.db2.gz PWBDABBPBRKSRM-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001385150769 923150797 /nfs/dbraw/zinc/15/07/97/923150797.db2.gz ZEXMMFBJAVTKLD-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001385280158 923160206 /nfs/dbraw/zinc/16/02/06/923160206.db2.gz QYDLMGXGMGFLGK-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCNC(C)=O)CC2)C1 ZINC001385523726 923176148 /nfs/dbraw/zinc/17/61/48/923176148.db2.gz ZYNCTMCEQKXIIF-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CCNC(C)=O)CC2)C1 ZINC001385523726 923176161 /nfs/dbraw/zinc/17/61/61/923176161.db2.gz ZYNCTMCEQKXIIF-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385574733 923181954 /nfs/dbraw/zinc/18/19/54/923181954.db2.gz UDEGNBRWTDCVAM-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001385589098 923186338 /nfs/dbraw/zinc/18/63/38/923186338.db2.gz GSTZQFSXOXBAMC-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001385590368 923187779 /nfs/dbraw/zinc/18/77/79/923187779.db2.gz LYZBCMHHFJEVLV-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622585 923188602 /nfs/dbraw/zinc/18/86/02/923188602.db2.gz PJVHKNDJRZYDBK-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001385622585 923188612 /nfs/dbraw/zinc/18/86/12/923188612.db2.gz PJVHKNDJRZYDBK-UWVGGRQHSA-N 1 1 313.358 -2.298 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](NC(=O)CNC(N)=O)C1CC1 ZINC001385742658 923201087 /nfs/dbraw/zinc/20/10/87/923201087.db2.gz GPOPMOXXYAYTFE-LLVKDONJSA-N 1 1 322.369 -1.129 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001385735506 923201905 /nfs/dbraw/zinc/20/19/05/923201905.db2.gz CPXJBKHKQYYEIL-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NC(=O)Cn2ncnn2)C2CC2)C1 ZINC001385878904 923211541 /nfs/dbraw/zinc/21/15/41/923211541.db2.gz PLQBXPBCCGGJST-NWDGAFQWSA-N 1 1 321.385 -1.364 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001385887404 923213210 /nfs/dbraw/zinc/21/32/10/923213210.db2.gz YIXAMFDHJROMSD-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386074485 923226541 /nfs/dbraw/zinc/22/65/41/923226541.db2.gz FOGAHRLYXMYTRV-IEECTRCBSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386074485 923226553 /nfs/dbraw/zinc/22/65/53/923226553.db2.gz FOGAHRLYXMYTRV-IEECTRCBSA-N 1 1 311.382 -1.075 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001386118473 923230803 /nfs/dbraw/zinc/23/08/03/923230803.db2.gz VOAPHDYCKLZXHH-IAZYJMLFSA-N 1 1 321.385 -1.263 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386162986 923237621 /nfs/dbraw/zinc/23/76/21/923237621.db2.gz WEHJUIUABAZCFJ-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386162986 923237635 /nfs/dbraw/zinc/23/76/35/923237635.db2.gz WEHJUIUABAZCFJ-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001386227978 923244345 /nfs/dbraw/zinc/24/43/45/923244345.db2.gz DRKGDDKRSVPTLQ-ZJUUUORDSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001386211658 923244377 /nfs/dbraw/zinc/24/43/77/923244377.db2.gz RDDSQNRIRZKSLM-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnc[nH]c1=O ZINC001386211658 923244390 /nfs/dbraw/zinc/24/43/90/923244390.db2.gz RDDSQNRIRZKSLM-ONGXEEELSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@@H](CNC(=O)C1(NC(N)=O)CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001386227977 923245514 /nfs/dbraw/zinc/24/55/14/923245514.db2.gz DRKGDDKRSVPTLQ-VHSXEESVSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CS(C)(=O)=O ZINC001386285433 923252947 /nfs/dbraw/zinc/25/29/47/923252947.db2.gz BMWYUIOIKRZFTC-HBNTYKKESA-N 1 1 319.427 -1.008 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305401 923256176 /nfs/dbraw/zinc/25/61/76/923256176.db2.gz CLRVBCQWOGGGHD-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)Cn2nccn2)C1 ZINC001386305401 923256184 /nfs/dbraw/zinc/25/61/84/923256184.db2.gz CLRVBCQWOGGGHD-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)CCCC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001386341766 923257543 /nfs/dbraw/zinc/25/75/43/923257543.db2.gz WKSFQSUUVVDBHR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@H](CNC(=O)CCCC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001386341766 923257560 /nfs/dbraw/zinc/25/75/60/923257560.db2.gz WKSFQSUUVVDBHR-MNOVXSKESA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001386456175 923271417 /nfs/dbraw/zinc/27/14/17/923271417.db2.gz UCKDYIGKJYRVBX-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001386456175 923271423 /nfs/dbraw/zinc/27/14/23/923271423.db2.gz UCKDYIGKJYRVBX-KZVDOYCCSA-N 1 1 324.381 -1.974 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001386498823 923277614 /nfs/dbraw/zinc/27/76/14/923277614.db2.gz ZQVAXWQGBIUSPE-GHMZBOCLSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386524910 923278400 /nfs/dbraw/zinc/27/84/00/923278400.db2.gz HRZFNZXELUSIGG-MEWQQHAOSA-N 1 1 323.397 -1.560 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001386528513 923280028 /nfs/dbraw/zinc/28/00/28/923280028.db2.gz WGMKDKCBRXEQNN-NMKXLXIOSA-N 1 1 308.382 -1.353 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001386560164 923280806 /nfs/dbraw/zinc/28/08/06/923280806.db2.gz LPMGRMNTBXGXNG-XZUYRWCXSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386643684 923289921 /nfs/dbraw/zinc/28/99/21/923289921.db2.gz WUCSAFQTZPGQLI-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001386643478 923290339 /nfs/dbraw/zinc/29/03/39/923290339.db2.gz BEZMAAMOAMDULT-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001386644159 923290518 /nfs/dbraw/zinc/29/05/18/923290518.db2.gz CPYHZWLRODJYAU-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1c(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001386705690 923299962 /nfs/dbraw/zinc/29/99/62/923299962.db2.gz UVCCFROCBUECRD-MWLCHTKSSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001386705690 923299977 /nfs/dbraw/zinc/29/99/77/923299977.db2.gz UVCCFROCBUECRD-MWLCHTKSSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703613 923300242 /nfs/dbraw/zinc/30/02/42/923300242.db2.gz GKRFFRBXPARQIM-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cc1ccnn1C ZINC001386703613 923300257 /nfs/dbraw/zinc/30/02/57/923300257.db2.gz GKRFFRBXPARQIM-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)nnn1C ZINC001386705686 923300831 /nfs/dbraw/zinc/30/08/31/923300831.db2.gz UVCCFROCBUECRD-GXSJLCMTSA-N 1 1 324.385 -1.311 20 0 DAADMO Cc1c(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nnn1C ZINC001386705686 923300847 /nfs/dbraw/zinc/30/08/47/923300847.db2.gz UVCCFROCBUECRD-GXSJLCMTSA-N 1 1 324.385 -1.311 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386737452 923301895 /nfs/dbraw/zinc/30/18/95/923301895.db2.gz FRLILLMIAHYCEP-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](CNC(=O)CCn1ccnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386737452 923301909 /nfs/dbraw/zinc/30/19/09/923301909.db2.gz FRLILLMIAHYCEP-NWDGAFQWSA-N 1 1 324.385 -1.380 20 0 DAADMO CN(CCNC(=O)c1cnccn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386787328 923308560 /nfs/dbraw/zinc/30/85/60/923308560.db2.gz NBMLNNWBNKFEPE-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CN(CCNC(=O)c1cnccn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386787328 923308578 /nfs/dbraw/zinc/30/85/78/923308578.db2.gz NBMLNNWBNKFEPE-GFCCVEGCSA-N 1 1 307.354 -1.005 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001386801142 923311018 /nfs/dbraw/zinc/31/10/18/923311018.db2.gz QSCLPEKOZCHWQD-ZJUUUORDSA-N 1 1 320.415 -1.892 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829707 923314546 /nfs/dbraw/zinc/31/45/46/923314546.db2.gz XQDGSRQYJQEYBX-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829707 923314552 /nfs/dbraw/zinc/31/45/52/923314552.db2.gz XQDGSRQYJQEYBX-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829703 923315301 /nfs/dbraw/zinc/31/53/01/923315301.db2.gz XQDGSRQYJQEYBX-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)NC(=O)c2cnnn2C)C1 ZINC001386829703 923315317 /nfs/dbraw/zinc/31/53/17/923315317.db2.gz XQDGSRQYJQEYBX-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828721 923315488 /nfs/dbraw/zinc/31/54/88/923315488.db2.gz VMZLKXGCQQGOQO-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828721 923315510 /nfs/dbraw/zinc/31/55/10/923315510.db2.gz VMZLKXGCQQGOQO-PWSUYJOCSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828719 923315749 /nfs/dbraw/zinc/31/57/49/923315749.db2.gz VMZLKXGCQQGOQO-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)CNC(C)=O)C1 ZINC001386828719 923315762 /nfs/dbraw/zinc/31/57/62/923315762.db2.gz VMZLKXGCQQGOQO-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)Cc1cncn1C ZINC001386839755 923316438 /nfs/dbraw/zinc/31/64/38/923316438.db2.gz MTPMVIYVKPOHKL-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)Cc1cncn1C ZINC001386839755 923316446 /nfs/dbraw/zinc/31/64/46/923316446.db2.gz MTPMVIYVKPOHKL-ZDUSSCGKSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)CCNC(N)=O ZINC001386835940 923316996 /nfs/dbraw/zinc/31/69/96/923316996.db2.gz CAPHRFBESNDHJZ-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)CCNC(N)=O ZINC001386835940 923317010 /nfs/dbraw/zinc/31/70/10/923317010.db2.gz CAPHRFBESNDHJZ-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CCNC(N)=O ZINC001386835937 923317143 /nfs/dbraw/zinc/31/71/43/923317143.db2.gz CAPHRFBESNDHJZ-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CCNC(N)=O ZINC001386835937 923317155 /nfs/dbraw/zinc/31/71/55/923317155.db2.gz CAPHRFBESNDHJZ-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386861200 923319637 /nfs/dbraw/zinc/31/96/37/923319637.db2.gz JMJBRBOFCZKBJJ-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386861200 923319652 /nfs/dbraw/zinc/31/96/52/923319652.db2.gz JMJBRBOFCZKBJJ-VHSXEESVSA-N 1 1 315.374 -2.052 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cnnn2C)C1 ZINC001386864447 923320842 /nfs/dbraw/zinc/32/08/42/923320842.db2.gz CDDHHCFHLBOKCO-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)c2cnnn2C)C1 ZINC001386864447 923320859 /nfs/dbraw/zinc/32/08/59/923320859.db2.gz CDDHHCFHLBOKCO-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001386860489 923320915 /nfs/dbraw/zinc/32/09/15/923320915.db2.gz FUNDPLAQBMFCPE-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001386865437 923323399 /nfs/dbraw/zinc/32/33/99/923323399.db2.gz IYHBTYQNHQWHNW-VHSXEESVSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001386865437 923323416 /nfs/dbraw/zinc/32/34/16/923323416.db2.gz IYHBTYQNHQWHNW-VHSXEESVSA-N 1 1 314.342 -2.000 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001386888982 923324299 /nfs/dbraw/zinc/32/42/99/923324299.db2.gz LNLJZJYUZFVWIB-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)NC(=O)c1cnnn1C ZINC001386946940 923333272 /nfs/dbraw/zinc/33/32/72/923333272.db2.gz QJABZHDGSXFGFQ-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001386965603 923334973 /nfs/dbraw/zinc/33/49/73/923334973.db2.gz QOKRDRRTRHXFJC-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001386979547 923335082 /nfs/dbraw/zinc/33/50/82/923335082.db2.gz WXOHJHKAFGIQJF-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001387009780 923341097 /nfs/dbraw/zinc/34/10/97/923341097.db2.gz WKVPCQCVPDAVQQ-SNVBAGLBSA-N 1 1 309.374 -1.260 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001387035792 923345519 /nfs/dbraw/zinc/34/55/19/923345519.db2.gz LUHXONOPFAQKRK-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)c1nnn(C)n1 ZINC001387047269 923350026 /nfs/dbraw/zinc/35/00/26/923350026.db2.gz HHUQNTWCWBOPII-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001387178051 923363517 /nfs/dbraw/zinc/36/35/17/923363517.db2.gz RVRUIEAONCXGMB-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)nn1 ZINC001387178051 923363534 /nfs/dbraw/zinc/36/35/34/923363534.db2.gz RVRUIEAONCXGMB-LBPRGKRZSA-N 1 1 324.385 -1.276 20 0 DAADMO CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387230086 923368866 /nfs/dbraw/zinc/36/88/66/923368866.db2.gz LLNLLEVPMDBTOC-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNC(=O)Cn1cnnn1 ZINC001387388620 923375188 /nfs/dbraw/zinc/37/51/88/923375188.db2.gz CVCDRPCXYPLHNE-SNVBAGLBSA-N 1 1 320.357 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)CNC(N)=O)C2CC2)C1 ZINC001387487240 923380035 /nfs/dbraw/zinc/38/00/35/923380035.db2.gz WJRUHNTZUAQPKU-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387674508 923390546 /nfs/dbraw/zinc/39/05/46/923390546.db2.gz IUFADEDOVSROER-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387674508 923390557 /nfs/dbraw/zinc/39/05/57/923390557.db2.gz IUFADEDOVSROER-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001387689750 923393295 /nfs/dbraw/zinc/39/32/95/923393295.db2.gz GMCXKUYRGVQNRH-NSHDSACASA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001387689750 923393303 /nfs/dbraw/zinc/39/33/03/923393303.db2.gz GMCXKUYRGVQNRH-NSHDSACASA-N 1 1 324.385 -1.479 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001387719007 923403721 /nfs/dbraw/zinc/40/37/21/923403721.db2.gz TVZKAMJRMUQINA-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001387724696 923406247 /nfs/dbraw/zinc/40/62/47/923406247.db2.gz IMYUZLHXLGZCQV-UHFFFAOYSA-N 1 1 308.342 -1.423 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001387756094 923412006 /nfs/dbraw/zinc/41/20/06/923412006.db2.gz IOKQWWRENTXOBU-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001387757454 923414876 /nfs/dbraw/zinc/41/48/76/923414876.db2.gz LVDWAGGGRMMFTI-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CCS(C)(=O)=O)C1 ZINC001387761651 923415049 /nfs/dbraw/zinc/41/50/49/923415049.db2.gz QMOGOEXPJUFJJC-LLVKDONJSA-N 1 1 317.411 -1.158 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)Cn2cnnn2)CC[N@H+]1C ZINC001387776169 923417818 /nfs/dbraw/zinc/41/78/18/923417818.db2.gz DQXFHLMADLIRED-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)Cn2ncnn2)CC[N@H+]1C ZINC001387771853 923418190 /nfs/dbraw/zinc/41/81/90/923418190.db2.gz MTHAQXIHACQGEQ-GHMZBOCLSA-N 1 1 309.374 -1.412 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001387786896 923421191 /nfs/dbraw/zinc/42/11/91/923421191.db2.gz MAIWHUALIBQUSJ-NSHDSACASA-N 1 1 311.386 -1.323 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC001387787446 923421598 /nfs/dbraw/zinc/42/15/98/923421598.db2.gz XPWPTVZYYIAGEP-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO NC(=O)NCC(=O)N1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001387906160 923440221 /nfs/dbraw/zinc/44/02/21/923440221.db2.gz JXFOZCHJFMOCQU-HNNXBMFYSA-N 1 1 323.397 -1.285 20 0 DAADMO CNC(=O)NCC(=O)N1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001387901807 923441065 /nfs/dbraw/zinc/44/10/65/923441065.db2.gz KGXFPUQRFGWOEQ-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001387901752 923441777 /nfs/dbraw/zinc/44/17/77/923441777.db2.gz JDAGJBXXUBRWGM-NSHDSACASA-N 1 1 320.353 -1.552 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)C[N@@H+](C)C(C)C ZINC001388188887 923468105 /nfs/dbraw/zinc/46/81/05/923468105.db2.gz QUUYBQRMXPCPQL-UHFFFAOYSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001388188249 923468731 /nfs/dbraw/zinc/46/87/31/923468731.db2.gz QLFDPCUYESWOPN-VXGBXAGGSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)Cn1ncnn1 ZINC001388342491 923472616 /nfs/dbraw/zinc/47/26/16/923472616.db2.gz CBXPJLZZHLBGDQ-UHFFFAOYSA-N 1 1 320.357 -1.157 20 0 DAADMO CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)c1nnn(C)n1 ZINC001388344634 923474312 /nfs/dbraw/zinc/47/43/12/923474312.db2.gz OZJQQTQDRTYPOX-UHFFFAOYSA-N 1 1 320.357 -1.006 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CNC(=O)Cn1cnnn1 ZINC001388385560 923475542 /nfs/dbraw/zinc/47/55/42/923475542.db2.gz FLXFWORKOHXDDV-RYUDHWBXSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001388386200 923475913 /nfs/dbraw/zinc/47/59/13/923475913.db2.gz GUHWEXJFZKBUCQ-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CCN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001388453580 923483585 /nfs/dbraw/zinc/48/35/85/923483585.db2.gz ZMSOYAJCPNLEJK-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001388453580 923483591 /nfs/dbraw/zinc/48/35/91/923483591.db2.gz ZMSOYAJCPNLEJK-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CNC(N)=O ZINC001388580918 923486685 /nfs/dbraw/zinc/48/66/85/923486685.db2.gz ZIUAKUUSNXZFNP-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO COC(=O)NCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(N)=O ZINC001388766521 923497848 /nfs/dbraw/zinc/49/78/48/923497848.db2.gz GMADOXSIMAPURP-USZNOCQGSA-N 1 1 324.381 -1.004 20 0 DAADMO C[C@@H]1OCC[C@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388765678 923498140 /nfs/dbraw/zinc/49/81/40/923498140.db2.gz DIZPFCGENFAXKR-WCBMZHEXSA-N 1 1 323.353 -1.202 20 0 DAADMO CS(=O)(=O)CCC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001388778601 923498229 /nfs/dbraw/zinc/49/82/29/923498229.db2.gz MDQFJBCGQPUUAW-LBPRGKRZSA-N 1 1 322.427 -1.301 20 0 DAADMO CCO[C@@H]1C[C@@H]1C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001388764892 923499272 /nfs/dbraw/zinc/49/92/72/923499272.db2.gz OPGOBTKXRAZUNI-VHSXEESVSA-N 1 1 323.353 -1.202 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001388776581 923499475 /nfs/dbraw/zinc/49/94/75/923499475.db2.gz MRDLLUMQXWSCLW-LLVKDONJSA-N 1 1 312.370 -1.123 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001388776581 923499489 /nfs/dbraw/zinc/49/94/89/923499489.db2.gz MRDLLUMQXWSCLW-LLVKDONJSA-N 1 1 312.370 -1.123 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001388775464 923499739 /nfs/dbraw/zinc/49/97/39/923499739.db2.gz BLBXSSMTRNNWBE-NSHDSACASA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001388775464 923499755 /nfs/dbraw/zinc/49/97/55/923499755.db2.gz BLBXSSMTRNNWBE-NSHDSACASA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001388775461 923500674 /nfs/dbraw/zinc/50/06/74/923500674.db2.gz BLBXSSMTRNNWBE-LLVKDONJSA-N 1 1 323.353 -1.434 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001388775461 923500678 /nfs/dbraw/zinc/50/06/78/923500678.db2.gz BLBXSSMTRNNWBE-LLVKDONJSA-N 1 1 323.353 -1.434 20 0 DAADMO C[C@H]1C[C@H](C(=O)NCc2nc(C[NH2+]CC(N)=O)cc(=O)[nH]2)CO1 ZINC001388763942 923501155 /nfs/dbraw/zinc/50/11/55/923501155.db2.gz GSXFQPWTRNBTKB-IUCAKERBSA-N 1 1 323.353 -1.202 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001388787856 923505260 /nfs/dbraw/zinc/50/52/60/923505260.db2.gz OFEIOCNAKBNNMX-GRYCIOLGSA-N 1 1 323.397 -1.416 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001388961072 923506719 /nfs/dbraw/zinc/50/67/19/923506719.db2.gz IKRWZFOIXAPBBK-LLVKDONJSA-N 1 1 309.374 -1.316 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001389034989 923512822 /nfs/dbraw/zinc/51/28/22/923512822.db2.gz CLXFYPCTBWHOLW-NSHDSACASA-N 1 1 303.359 -2.052 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001389044774 923516585 /nfs/dbraw/zinc/51/65/85/923516585.db2.gz PMKNQLHKFJPKTA-WCQYABFASA-N 1 1 324.381 -1.006 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCn2cncn2)C1 ZINC001389056522 923518521 /nfs/dbraw/zinc/51/85/21/923518521.db2.gz DAOJGOPGDOXYJH-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cnnn2)C1 ZINC001389061836 923524482 /nfs/dbraw/zinc/52/44/82/923524482.db2.gz MVJAQDWOPLBPRW-ZJUUUORDSA-N 1 1 311.346 -2.782 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1cncn1 ZINC001389068421 923528356 /nfs/dbraw/zinc/52/83/56/923528356.db2.gz YXVSLPXBELXAAT-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cn[nH]c2)CC[N@H+]1C ZINC001389069034 923529381 /nfs/dbraw/zinc/52/93/81/923529381.db2.gz IXABOMMAJZXGKS-YUSALJHKSA-N 1 1 309.370 -1.043 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001389074360 923533588 /nfs/dbraw/zinc/53/35/88/923533588.db2.gz GSLIOPJDEBOWHX-VHSXEESVSA-N 1 1 311.346 -2.639 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389077738 923537422 /nfs/dbraw/zinc/53/74/22/923537422.db2.gz UJPITERLEVTUBE-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080492 923539221 /nfs/dbraw/zinc/53/92/21/923539221.db2.gz UPQOBFHKNOARBZ-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001389080492 923539240 /nfs/dbraw/zinc/53/92/40/923539240.db2.gz UPQOBFHKNOARBZ-QWRGUYRKSA-N 1 1 317.386 -1.929 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081945 923541540 /nfs/dbraw/zinc/54/15/40/923541540.db2.gz ZKVJVADARZRMFZ-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cncnc2)C1 ZINC001389081945 923541549 /nfs/dbraw/zinc/54/15/49/923541549.db2.gz ZKVJVADARZRMFZ-NEPJUHHUSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001389085329 923541941 /nfs/dbraw/zinc/54/19/41/923541941.db2.gz GGEGPQUKKAEKHE-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2ccnn2C)C1 ZINC001389082682 923542056 /nfs/dbraw/zinc/54/20/56/923542056.db2.gz XEOPADFQXXTIMG-NEPJUHHUSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2ccnn2C)C1 ZINC001389082699 923542164 /nfs/dbraw/zinc/54/21/64/923542164.db2.gz XEOPADFQXXTIMG-VXGBXAGGSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001389088876 923544324 /nfs/dbraw/zinc/54/43/24/923544324.db2.gz FFTWVDLDLOOQPE-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088876 923544337 /nfs/dbraw/zinc/54/43/37/923544337.db2.gz FFTWVDLDLOOQPE-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001389088876 923544351 /nfs/dbraw/zinc/54/43/51/923544351.db2.gz FFTWVDLDLOOQPE-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2ccnn2)C1 ZINC001389086014 923544908 /nfs/dbraw/zinc/54/49/08/923544908.db2.gz HMIIDAIIQVZQOO-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO Cn1ccc(CC(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001389089545 923546302 /nfs/dbraw/zinc/54/63/02/923546302.db2.gz KVOZFRQKXFRHLN-AAEUAGOBSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001389091395 923546748 /nfs/dbraw/zinc/54/67/48/923546748.db2.gz MYEDIDCDDJKASJ-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO Cn1ccc(CC(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001389089550 923547270 /nfs/dbraw/zinc/54/72/70/923547270.db2.gz KVOZFRQKXFRHLN-WCQYABFASA-N 1 1 323.397 -1.492 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001389095402 923549535 /nfs/dbraw/zinc/54/95/35/923549535.db2.gz KHGPFFHVYRDLGL-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2cnc[nH]2)CC[N@@H+]1C ZINC001389095402 923549550 /nfs/dbraw/zinc/54/95/50/923549550.db2.gz KHGPFFHVYRDLGL-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)Cc2cnc[nH]2)CC[N@H+]1C ZINC001389095402 923549561 /nfs/dbraw/zinc/54/95/61/923549561.db2.gz KHGPFFHVYRDLGL-RAIGVLPGSA-N 1 1 323.397 -1.114 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001389094527 923549868 /nfs/dbraw/zinc/54/98/68/923549868.db2.gz HMIRBIVRLWDGLE-CHWSQXEVSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC2(O)CCC2)C1 ZINC001389095607 923550438 /nfs/dbraw/zinc/55/04/38/923550438.db2.gz RPRLNWGJGLWTRX-NEPJUHHUSA-N 1 1 313.398 -1.164 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001389094897 923550552 /nfs/dbraw/zinc/55/05/52/923550552.db2.gz HVINOPYRWNTATP-VIFPVBQESA-N 1 1 324.316 -1.039 20 0 DAADMO COCC1(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001389106525 923554489 /nfs/dbraw/zinc/55/44/89/923554489.db2.gz RDYXZOAVIREVLD-NWDGAFQWSA-N 1 1 313.398 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001389104763 923554866 /nfs/dbraw/zinc/55/48/66/923554866.db2.gz CHRDGSOYVUGDBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104763 923554882 /nfs/dbraw/zinc/55/48/82/923554882.db2.gz CHRDGSOYVUGDBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001389104763 923554892 /nfs/dbraw/zinc/55/48/92/923554892.db2.gz CHRDGSOYVUGDBS-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1cn[nH]n1 ZINC001389101944 923554919 /nfs/dbraw/zinc/55/49/19/923554919.db2.gz GTJKDOPHRZUOGV-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001389101944 923554930 /nfs/dbraw/zinc/55/49/30/923554930.db2.gz GTJKDOPHRZUOGV-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1c[nH]nn1 ZINC001389101944 923554942 /nfs/dbraw/zinc/55/49/42/923554942.db2.gz GTJKDOPHRZUOGV-NWDGAFQWSA-N 1 1 324.385 -1.575 20 0 DAADMO CC(C)[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1)[NH+](C)C ZINC001389109892 923557590 /nfs/dbraw/zinc/55/75/90/923557590.db2.gz UFTMHMGDMAMWHJ-KOLCDFICSA-N 1 1 312.374 -1.402 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001389111990 923560215 /nfs/dbraw/zinc/56/02/15/923560215.db2.gz PQWLAPJYYQCQHA-GHMZBOCLSA-N 1 1 324.385 -1.196 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001389115527 923560698 /nfs/dbraw/zinc/56/06/98/923560698.db2.gz ZYAFPSCTNYBKLV-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115527 923560704 /nfs/dbraw/zinc/56/07/04/923560704.db2.gz ZYAFPSCTNYBKLV-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001389115527 923560715 /nfs/dbraw/zinc/56/07/15/923560715.db2.gz ZYAFPSCTNYBKLV-UWVGGRQHSA-N 1 1 310.358 -1.647 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cncn1C ZINC001389115305 923561704 /nfs/dbraw/zinc/56/17/04/923561704.db2.gz YRADIORNISDOAM-NSHDSACASA-N 1 1 311.386 -1.033 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001389111416 923561770 /nfs/dbraw/zinc/56/17/70/923561770.db2.gz VRCPQNBDBUYUQB-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001389120319 923563853 /nfs/dbraw/zinc/56/38/53/923563853.db2.gz SZTDYESHIICQPY-GHMZBOCLSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001389133852 923566305 /nfs/dbraw/zinc/56/63/05/923566305.db2.gz KWEBNWUKZAFHTK-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cnnn1 ZINC001389133852 923566310 /nfs/dbraw/zinc/56/63/10/923566310.db2.gz KWEBNWUKZAFHTK-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)CCn1cncn1 ZINC001389141631 923568302 /nfs/dbraw/zinc/56/83/02/923568302.db2.gz WDWIOUYHWDSAJS-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)CCn1cncn1 ZINC001389141631 923568311 /nfs/dbraw/zinc/56/83/11/923568311.db2.gz WDWIOUYHWDSAJS-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001389144118 923568421 /nfs/dbraw/zinc/56/84/21/923568421.db2.gz KOBVFMKAALRMKB-JTQLQIEISA-N 1 1 319.383 -2.311 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001389144118 923568428 /nfs/dbraw/zinc/56/84/28/923568428.db2.gz KOBVFMKAALRMKB-JTQLQIEISA-N 1 1 319.383 -2.311 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001389159841 923571669 /nfs/dbraw/zinc/57/16/69/923571669.db2.gz JVUWNAPEVBNOGN-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001389159841 923571682 /nfs/dbraw/zinc/57/16/82/923571682.db2.gz JVUWNAPEVBNOGN-PWSUYJOCSA-N 1 1 309.370 -1.015 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001389185124 923579565 /nfs/dbraw/zinc/57/95/65/923579565.db2.gz XXOMODNHTRLPON-SECBINFHSA-N 1 1 310.358 -1.259 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)Cn2ncnn2)C1)CC(C)(C)C ZINC001389220714 923584192 /nfs/dbraw/zinc/58/41/92/923584192.db2.gz WEQIZCKNTHKCEN-UHFFFAOYSA-N 1 1 323.401 -1.022 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001389227706 923586343 /nfs/dbraw/zinc/58/63/43/923586343.db2.gz GGRUQBMYKYPPJR-PSASIEDQSA-N 1 1 308.342 -1.506 20 0 DAADMO CNC(=O)NCC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001389235872 923588190 /nfs/dbraw/zinc/58/81/90/923588190.db2.gz NZLVLACEWDDLIY-JTQLQIEISA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001389303423 923598009 /nfs/dbraw/zinc/59/80/09/923598009.db2.gz KNIUZNRCFRQGJN-UHFFFAOYSA-N 1 1 323.357 -2.278 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001389341945 923602180 /nfs/dbraw/zinc/60/21/80/923602180.db2.gz ALDJIDVDDXLKHT-BONVTDFDSA-N 1 1 323.397 -1.144 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001389361294 923605163 /nfs/dbraw/zinc/60/51/63/923605163.db2.gz PRWZJKREMGCSTO-ZIAGYGMSSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001389361276 923605406 /nfs/dbraw/zinc/60/54/06/923605406.db2.gz PRWZJKREMGCSTO-KBPBESRZSA-N 1 1 323.397 -1.039 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001389353598 923607077 /nfs/dbraw/zinc/60/70/77/923607077.db2.gz GGPHMWKNMRVJQL-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001389353632 923607361 /nfs/dbraw/zinc/60/73/61/923607361.db2.gz GGPHMWKNMRVJQL-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001389378957 923609982 /nfs/dbraw/zinc/60/99/82/923609982.db2.gz CAQKWCZYIIKPMK-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001389391555 923611993 /nfs/dbraw/zinc/61/19/93/923611993.db2.gz XFZQAAGKUZSTSK-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CCn2cnnn2)C1 ZINC001389388536 923613725 /nfs/dbraw/zinc/61/37/25/923613725.db2.gz VVZHPAAETBYKFA-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN1CCN([C@@H](C)C(N)=O)CC1 ZINC001389430873 923623750 /nfs/dbraw/zinc/62/37/50/923623750.db2.gz UCVWPOMIQOKYLV-ZDUSSCGKSA-N 1 1 313.446 -1.064 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451626 923625641 /nfs/dbraw/zinc/62/56/41/923625641.db2.gz OSKONEHZMBLKIL-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001389451626 923625651 /nfs/dbraw/zinc/62/56/51/923625651.db2.gz OSKONEHZMBLKIL-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001389469878 923632788 /nfs/dbraw/zinc/63/27/88/923632788.db2.gz QRNQEQQVVODXQG-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001389489144 923636459 /nfs/dbraw/zinc/63/64/59/923636459.db2.gz VJHVXZBHPPHNLT-QWRGUYRKSA-N 1 1 323.415 -1.747 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001389507332 923637496 /nfs/dbraw/zinc/63/74/96/923637496.db2.gz OYUYEESDCCHLIO-VHSXEESVSA-N 1 1 323.353 -1.613 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001389504953 923639441 /nfs/dbraw/zinc/63/94/41/923639441.db2.gz KMYZLFWEXGXNKG-SECBINFHSA-N 1 1 323.353 -1.574 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001389504953 923639455 /nfs/dbraw/zinc/63/94/55/923639455.db2.gz KMYZLFWEXGXNKG-SECBINFHSA-N 1 1 323.353 -1.574 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001389498701 923640359 /nfs/dbraw/zinc/64/03/59/923640359.db2.gz HLQYTKIACWICDC-QWHCGFSZSA-N 1 1 324.381 -1.169 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001389521109 923641952 /nfs/dbraw/zinc/64/19/52/923641952.db2.gz IOBLHYUZAPVQPZ-RYUDHWBXSA-N 1 1 322.365 -1.008 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001389595208 923651389 /nfs/dbraw/zinc/65/13/89/923651389.db2.gz LSPAGPQAHWXPFK-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO Cc1nnc(C[NH2+][C@H](CNC(=O)Cn2ncnn2)C2CC2)[nH]1 ZINC001389607243 923653427 /nfs/dbraw/zinc/65/34/27/923653427.db2.gz HUCRLYRVGUVWPG-SNVBAGLBSA-N 1 1 305.346 -1.216 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CNC(=O)Cn2ncnn2)CC[N@H+]1C ZINC001389655547 923659584 /nfs/dbraw/zinc/65/95/84/923659584.db2.gz RHPDAHXVGRQEBD-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001389667098 923663308 /nfs/dbraw/zinc/66/33/08/923663308.db2.gz QPAOESYVEJPWLN-UWVGGRQHSA-N 1 1 322.373 -1.782 20 0 DAADMO CCn1ncc(C[NH2+][C@H](CNC(=O)[C@@H]2CNC(=O)N2)C2CC2)n1 ZINC001389673596 923666017 /nfs/dbraw/zinc/66/60/17/923666017.db2.gz YRMIKFRSZODCBV-NEPJUHHUSA-N 1 1 321.385 -1.036 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001389709046 923668433 /nfs/dbraw/zinc/66/84/33/923668433.db2.gz FDAJTKTUOHJWJE-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(C)(=O)=O ZINC001389761526 923674037 /nfs/dbraw/zinc/67/40/37/923674037.db2.gz BCUWTWNSHZGTEA-KXNHARMFSA-N 1 1 319.427 -1.020 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 ZINC001389762636 923674255 /nfs/dbraw/zinc/67/42/55/923674255.db2.gz VENRLWQTWFFIPZ-XQHKEYJVSA-N 1 1 311.382 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2cncn2)C1 ZINC001389754503 923674859 /nfs/dbraw/zinc/67/48/59/923674859.db2.gz JHLXNLXNSHTZNN-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(C)(=O)=O ZINC001389761520 923675582 /nfs/dbraw/zinc/67/55/82/923675582.db2.gz BCUWTWNSHZGTEA-FIQHERPVSA-N 1 1 319.427 -1.020 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001389773639 923678247 /nfs/dbraw/zinc/67/82/47/923678247.db2.gz OZXVJWVJRBICEU-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)CS(C)(=O)=O)CC2)C1 ZINC001389800897 923680638 /nfs/dbraw/zinc/68/06/38/923680638.db2.gz HDBHTQLMTBPQNR-SNVBAGLBSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)Cn3cncn3)CC2)C1 ZINC001389857412 923690260 /nfs/dbraw/zinc/69/02/60/923690260.db2.gz RWCGGSLXRDREIV-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001389877517 923692703 /nfs/dbraw/zinc/69/27/03/923692703.db2.gz VIXFXGNQYMYBFE-OPRDCNLKSA-N 1 1 315.399 -1.015 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001389908604 923696737 /nfs/dbraw/zinc/69/67/37/923696737.db2.gz BDSJYDHHAOHQOL-MGCOHNPYSA-N 1 1 313.383 -1.237 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001389960520 923700822 /nfs/dbraw/zinc/70/08/22/923700822.db2.gz ZRHMHCYQHBYIAL-DTORHVGOSA-N 1 1 310.362 -1.734 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001390032168 923710095 /nfs/dbraw/zinc/71/00/95/923710095.db2.gz HYCUBCIUNFXTFR-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001390032168 923710106 /nfs/dbraw/zinc/71/01/06/923710106.db2.gz HYCUBCIUNFXTFR-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001390032163 923710887 /nfs/dbraw/zinc/71/08/87/923710887.db2.gz HYCUBCIUNFXTFR-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)Cn3cnnn3)C2)nn1 ZINC001390032163 923710907 /nfs/dbraw/zinc/71/09/07/923710907.db2.gz HYCUBCIUNFXTFR-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001390027186 923711353 /nfs/dbraw/zinc/71/13/53/923711353.db2.gz AMAMUFTYMGYLTC-QWRGUYRKSA-N 1 1 324.385 -1.716 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001390054563 923713321 /nfs/dbraw/zinc/71/33/21/923713321.db2.gz DWWMISSFMHIALH-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001390054563 923713316 /nfs/dbraw/zinc/71/33/16/923713316.db2.gz DWWMISSFMHIALH-VIFPVBQESA-N 1 1 306.388 -2.151 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001390097282 923717858 /nfs/dbraw/zinc/71/78/58/923717858.db2.gz UFHPVIBHWKZVPX-NSHDSACASA-N 1 1 311.386 -1.192 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)Cn2ncnn2)C1 ZINC001390138565 923718615 /nfs/dbraw/zinc/71/86/15/923718615.db2.gz WTZOYNBJVRTIHD-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390122792 923718853 /nfs/dbraw/zinc/71/88/53/923718853.db2.gz IJUDHDPUYMAWJI-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390132396 923719630 /nfs/dbraw/zinc/71/96/30/923719630.db2.gz TWYHSNJEOPXCKZ-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001390132396 923719646 /nfs/dbraw/zinc/71/96/46/923719646.db2.gz TWYHSNJEOPXCKZ-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001390231976 923725513 /nfs/dbraw/zinc/72/55/13/923725513.db2.gz BGUZXDHPWACZIH-CQSZACIVSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CCN(C(=O)CNC(N)=O)C1 ZINC001390231972 923725692 /nfs/dbraw/zinc/72/56/92/923725692.db2.gz BGUZXDHPWACZIH-AWEZNQCLSA-N 1 1 322.369 -1.033 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001390214061 923726640 /nfs/dbraw/zinc/72/66/40/923726640.db2.gz QRGUWVGQIYKYCD-ULHKAFAUSA-N 1 1 311.386 -1.386 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)NC(N)=O ZINC001390214046 923726747 /nfs/dbraw/zinc/72/67/47/923726747.db2.gz QRGUWVGQIYKYCD-KUNJHIDRSA-N 1 1 311.386 -1.386 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)NC(N)=O ZINC001390214056 923726943 /nfs/dbraw/zinc/72/69/43/923726943.db2.gz QRGUWVGQIYKYCD-OMHSBUABSA-N 1 1 311.386 -1.386 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001390340464 923729850 /nfs/dbraw/zinc/72/98/50/923729850.db2.gz HNMCPLOFJIXCPX-BDAKNGLRSA-N 1 1 312.378 -1.266 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnc2n1CCOC2 ZINC001390307034 923730267 /nfs/dbraw/zinc/73/02/67/923730267.db2.gz JSEUPGNBTPJUMI-VHSXEESVSA-N 1 1 322.369 -1.319 20 0 DAADMO C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1nnnn1C ZINC001390388435 923734148 /nfs/dbraw/zinc/73/41/48/923734148.db2.gz TZLKYWDZQKENDY-VIFPVBQESA-N 1 1 319.373 -1.026 20 0 DAADMO C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1nnnn1C ZINC001390388429 923734203 /nfs/dbraw/zinc/73/42/03/923734203.db2.gz TZLKYWDZQKENDY-SECBINFHSA-N 1 1 319.373 -1.026 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001390408952 923736160 /nfs/dbraw/zinc/73/61/60/923736160.db2.gz WUSHMVIUCJVHPE-SNVBAGLBSA-N 1 1 310.358 -1.732 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1ncnn1C ZINC001390408932 923736792 /nfs/dbraw/zinc/73/67/92/923736792.db2.gz WUSHMVIUCJVHPE-JTQLQIEISA-N 1 1 310.358 -1.732 20 0 DAADMO CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001390413653 923738652 /nfs/dbraw/zinc/73/86/52/923738652.db2.gz WZSFKWBHJIHMDJ-HIFRSBDPSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001390413656 923739493 /nfs/dbraw/zinc/73/94/93/923739493.db2.gz WZSFKWBHJIHMDJ-UKRRQHHQSA-N 1 1 323.397 -1.087 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1ncnn1 ZINC001390464902 923748226 /nfs/dbraw/zinc/74/82/26/923748226.db2.gz DNTGTGUGMGMLPA-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)COCc1nncn1C)[NH2+]Cc1cnn(C)n1 ZINC001390498378 923750269 /nfs/dbraw/zinc/75/02/69/923750269.db2.gz NQKGGABYQFOLBM-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001390516143 923750460 /nfs/dbraw/zinc/75/04/60/923750460.db2.gz XODVCICILXKHHM-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)CCn1cnnn1 ZINC001390494243 923750983 /nfs/dbraw/zinc/75/09/83/923750983.db2.gz SGGBBCPXGFRZEF-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NCc2nnn(C)n2)C1 ZINC001390530552 923754090 /nfs/dbraw/zinc/75/40/90/923754090.db2.gz JCMWNLTXFSPGCR-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)NCc2nnn(C)n2)C1 ZINC001390530552 923754103 /nfs/dbraw/zinc/75/41/03/923754103.db2.gz JCMWNLTXFSPGCR-GHMZBOCLSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NCc2nnn(C)n2)C1 ZINC001390530568 923755889 /nfs/dbraw/zinc/75/58/89/923755889.db2.gz JCMWNLTXFSPGCR-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NCc2nnn(C)n2)C1 ZINC001390530568 923755903 /nfs/dbraw/zinc/75/59/03/923755903.db2.gz JCMWNLTXFSPGCR-QWRGUYRKSA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1nnnn1C ZINC001390545413 923756144 /nfs/dbraw/zinc/75/61/44/923756144.db2.gz SZJZGHLMOJEWHV-VIFPVBQESA-N 1 1 307.362 -1.434 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001390623199 923764292 /nfs/dbraw/zinc/76/42/92/923764292.db2.gz PDEHOZMLOKVIFR-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001390623199 923764300 /nfs/dbraw/zinc/76/43/00/923764300.db2.gz PDEHOZMLOKVIFR-NSHDSACASA-N 1 1 314.386 -1.501 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001390636095 923766834 /nfs/dbraw/zinc/76/68/34/923766834.db2.gz KMENCPQRZCOXGK-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001390636095 923766851 /nfs/dbraw/zinc/76/68/51/923766851.db2.gz KMENCPQRZCOXGK-VIFPVBQESA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652793 923768770 /nfs/dbraw/zinc/76/87/70/923768770.db2.gz JAHVIQZCBQYPKN-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnn(C)n1 ZINC001390652793 923768780 /nfs/dbraw/zinc/76/87/80/923768780.db2.gz JAHVIQZCBQYPKN-MNOVXSKESA-N 1 1 311.390 -1.475 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001390758577 923771985 /nfs/dbraw/zinc/77/19/85/923771985.db2.gz QKEBKXJIMSPWLS-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001390758577 923771987 /nfs/dbraw/zinc/77/19/87/923771987.db2.gz QKEBKXJIMSPWLS-VHSXEESVSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001390756317 923773010 /nfs/dbraw/zinc/77/30/10/923773010.db2.gz NJVPXSBVMONNGF-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc(OC)ncn1 ZINC001390756317 923773019 /nfs/dbraw/zinc/77/30/19/923773019.db2.gz NJVPXSBVMONNGF-UHFFFAOYSA-N 1 1 324.341 -1.398 20 0 DAADMO C[C@H](CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758565 923773486 /nfs/dbraw/zinc/77/34/86/923773486.db2.gz QKEBKXJIMSPWLS-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(N)=O ZINC001390758565 923773498 /nfs/dbraw/zinc/77/34/98/923773498.db2.gz QKEBKXJIMSPWLS-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001390756262 923774216 /nfs/dbraw/zinc/77/42/16/923774216.db2.gz KCOGVDLXWDXQPV-JTQLQIEISA-N 1 1 310.420 -1.847 20 0 DAADMO CCOCC(=O)NCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001390729632 923774256 /nfs/dbraw/zinc/77/42/56/923774256.db2.gz DWVGLHDZFXCBJY-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO CCOCC(=O)NCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001390729632 923774263 /nfs/dbraw/zinc/77/42/63/923774263.db2.gz DWVGLHDZFXCBJY-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001390757772 923774967 /nfs/dbraw/zinc/77/49/67/923774967.db2.gz SKDIDIGLFWYGAS-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001390757772 923774976 /nfs/dbraw/zinc/77/49/76/923774976.db2.gz SKDIDIGLFWYGAS-UHFFFAOYSA-N 1 1 312.334 -2.433 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@H](C)NC(N)=O)CS(C)(=O)=O ZINC001390753410 923775527 /nfs/dbraw/zinc/77/55/27/923775527.db2.gz IJHPQJOWAOJTOO-ZJUUUORDSA-N 1 1 322.431 -1.228 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@H](C)NC(N)=O)CS(C)(=O)=O ZINC001390753410 923775537 /nfs/dbraw/zinc/77/55/37/923775537.db2.gz IJHPQJOWAOJTOO-ZJUUUORDSA-N 1 1 322.431 -1.228 20 0 DAADMO Cn1nncc1C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001390759141 923776175 /nfs/dbraw/zinc/77/61/75/923776175.db2.gz ZLKOHGSSWIFGKR-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001390759141 923776186 /nfs/dbraw/zinc/77/61/86/923776186.db2.gz ZLKOHGSSWIFGKR-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001390765434 923777439 /nfs/dbraw/zinc/77/74/39/923777439.db2.gz IEKXCQKTTXMAJO-JTQLQIEISA-N 1 1 308.342 -1.207 20 0 DAADMO C[N@H+](CCNC(=O)CO[C@@H]1CCOC1)CC(=O)NC(N)=O ZINC001390759370 923778546 /nfs/dbraw/zinc/77/85/46/923778546.db2.gz VKRSNFSXAOIJOT-SECBINFHSA-N 1 1 302.331 -1.965 20 0 DAADMO C[N@@H+](CCNC(=O)CO[C@@H]1CCOC1)CC(=O)NC(N)=O ZINC001390759370 923778553 /nfs/dbraw/zinc/77/85/53/923778553.db2.gz VKRSNFSXAOIJOT-SECBINFHSA-N 1 1 302.331 -1.965 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001390762948 923778590 /nfs/dbraw/zinc/77/85/90/923778590.db2.gz HMBCJPKTSXXGPO-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001390762948 923778602 /nfs/dbraw/zinc/77/86/02/923778602.db2.gz HMBCJPKTSXXGPO-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001390779553 923778702 /nfs/dbraw/zinc/77/87/02/923778702.db2.gz IYULDHOEPOIWEA-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001390779553 923778710 /nfs/dbraw/zinc/77/87/10/923778710.db2.gz IYULDHOEPOIWEA-BDAKNGLRSA-N 1 1 313.358 -1.856 20 0 DAADMO Cn1nncc1C(=O)NCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001390759142 923779109 /nfs/dbraw/zinc/77/91/09/923779109.db2.gz ZLKOHGSSWIFGKR-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1nncc1C(=O)NCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC001390759142 923779117 /nfs/dbraw/zinc/77/91/17/923779117.db2.gz ZLKOHGSSWIFGKR-SNVBAGLBSA-N 1 1 315.399 -1.089 20 0 DAADMO CN1CCN(CC(=O)NCC[N@@H+](C)CCn2cncn2)CC1=O ZINC001390788039 923780128 /nfs/dbraw/zinc/78/01/28/923780128.db2.gz WPGIEDRAGVALIF-UHFFFAOYSA-N 1 1 323.401 -1.900 20 0 DAADMO CN(CC[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)S(C)(=O)=O ZINC001390807999 923780325 /nfs/dbraw/zinc/78/03/25/923780325.db2.gz MUIVOVBSBXXEKI-VIFPVBQESA-N 1 1 321.403 -2.393 20 0 DAADMO CN(CC[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1)S(C)(=O)=O ZINC001390807999 923780334 /nfs/dbraw/zinc/78/03/34/923780334.db2.gz MUIVOVBSBXXEKI-VIFPVBQESA-N 1 1 321.403 -2.393 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810078 923782437 /nfs/dbraw/zinc/78/24/37/923782437.db2.gz VGGICNNAXRSQTH-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390810078 923782449 /nfs/dbraw/zinc/78/24/49/923782449.db2.gz VGGICNNAXRSQTH-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390794272 923782711 /nfs/dbraw/zinc/78/27/11/923782711.db2.gz DJVJSRIHPKAEOD-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001390794272 923782720 /nfs/dbraw/zinc/78/27/20/923782720.db2.gz DJVJSRIHPKAEOD-UWVGGRQHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)[C@H]1CCCNC1=O ZINC001390800397 923783310 /nfs/dbraw/zinc/78/33/10/923783310.db2.gz YVWCQMGOLCNBDO-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@H]1CCCNC1=O ZINC001390800397 923783321 /nfs/dbraw/zinc/78/33/21/923783321.db2.gz YVWCQMGOLCNBDO-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)c1cccn2c1n[nH]c2=O ZINC001390839146 923784176 /nfs/dbraw/zinc/78/41/76/923784176.db2.gz QVNSHVOLSUFYPI-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cccn2c1n[nH]c2=O ZINC001390839146 923784190 /nfs/dbraw/zinc/78/41/90/923784190.db2.gz QVNSHVOLSUFYPI-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001390829517 923784508 /nfs/dbraw/zinc/78/45/08/923784508.db2.gz IEADMIUSQCULDR-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC001390829517 923784517 /nfs/dbraw/zinc/78/45/17/923784517.db2.gz IEADMIUSQCULDR-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390838861 923787026 /nfs/dbraw/zinc/78/70/26/923787026.db2.gz VNTDWKIUYCJAKO-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001390838861 923787039 /nfs/dbraw/zinc/78/70/39/923787039.db2.gz VNTDWKIUYCJAKO-VIFPVBQESA-N 1 1 313.358 -1.889 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001390825903 923787132 /nfs/dbraw/zinc/78/71/32/923787132.db2.gz VTWAZSKWJLLCMJ-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH]cn1 ZINC001390825903 923787146 /nfs/dbraw/zinc/78/71/46/923787146.db2.gz VTWAZSKWJLLCMJ-VIFPVBQESA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001390845864 923787324 /nfs/dbraw/zinc/78/73/24/923787324.db2.gz PRNHBLCTYMEIRR-DTWKUNHWSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001390845864 923787331 /nfs/dbraw/zinc/78/73/31/923787331.db2.gz PRNHBLCTYMEIRR-DTWKUNHWSA-N 1 1 301.391 -1.009 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001390852888 923789640 /nfs/dbraw/zinc/78/96/40/923789640.db2.gz VEBDQTFKONUIGM-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001390852888 923789659 /nfs/dbraw/zinc/78/96/59/923789659.db2.gz VEBDQTFKONUIGM-LLVKDONJSA-N 1 1 307.354 -1.327 20 0 DAADMO CC[N@H+](CCNC(=O)C1=COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001390873919 923790461 /nfs/dbraw/zinc/79/04/61/923790461.db2.gz MTKPAUPXUKBTTJ-SECBINFHSA-N 1 1 314.342 -1.104 20 0 DAADMO CC[N@@H+](CCNC(=O)C1=COCCO1)[C@H](C)C(=O)NC(N)=O ZINC001390873919 923790467 /nfs/dbraw/zinc/79/04/67/923790467.db2.gz MTKPAUPXUKBTTJ-SECBINFHSA-N 1 1 314.342 -1.104 20 0 DAADMO C[N@H+](CCNC(=O)COC[C@@H]1CCCO1)CC(=O)NC(N)=O ZINC001390876096 923790577 /nfs/dbraw/zinc/79/05/77/923790577.db2.gz SFWBBZHEUVCSRJ-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO C[N@@H+](CCNC(=O)COC[C@@H]1CCCO1)CC(=O)NC(N)=O ZINC001390876096 923790590 /nfs/dbraw/zinc/79/05/90/923790590.db2.gz SFWBBZHEUVCSRJ-JTQLQIEISA-N 1 1 316.358 -1.575 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001390859033 923790654 /nfs/dbraw/zinc/79/06/54/923790654.db2.gz IPKMUACZNGPACT-VIFPVBQESA-N 1 1 314.342 -1.845 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001390867233 923790883 /nfs/dbraw/zinc/79/08/83/923790883.db2.gz LMGRXYMRLITADG-LLVKDONJSA-N 1 1 310.354 -1.151 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001390874236 923791229 /nfs/dbraw/zinc/79/12/29/923791229.db2.gz PGFWMCJGKZYZBB-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001390874236 923791238 /nfs/dbraw/zinc/79/12/38/923791238.db2.gz PGFWMCJGKZYZBB-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)CNS(=O)(=O)CC)[C@@H]1CCNC1=O ZINC001390914709 923792688 /nfs/dbraw/zinc/79/26/88/923792688.db2.gz IDRPDHSFWMDUKG-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@@H](O)COC ZINC001390900556 923793992 /nfs/dbraw/zinc/79/39/92/923793992.db2.gz GXNCIWGGEHTQSH-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(=O)NC ZINC001390886861 923794064 /nfs/dbraw/zinc/79/40/64/923794064.db2.gz JRKTXHOSSRZPCS-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CC[N@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@@H](C)C(=O)NC ZINC001390910510 923794159 /nfs/dbraw/zinc/79/41/59/923794159.db2.gz BRKARDXCGKMJCK-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)[C@@H](C)C(=O)NC ZINC001390910510 923794167 /nfs/dbraw/zinc/79/41/67/923794167.db2.gz BRKARDXCGKMJCK-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC001390946006 923794869 /nfs/dbraw/zinc/79/48/69/923794869.db2.gz NRUQZAADJZWBEX-SNVBAGLBSA-N 1 1 323.353 -1.725 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)NC ZINC001390957075 923795143 /nfs/dbraw/zinc/79/51/43/923795143.db2.gz WLMOYSMGKMJKDE-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NS(C)(=O)=O)CC(=O)NC ZINC001390957075 923795153 /nfs/dbraw/zinc/79/51/53/923795153.db2.gz WLMOYSMGKMJKDE-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795356 /nfs/dbraw/zinc/79/53/56/923795356.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CN(C)CCO1)[C@@H](C)C(=O)NC ZINC001390913074 923795364 /nfs/dbraw/zinc/79/53/64/923795364.db2.gz ZTTKRYXZJUIUFF-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(=O)NC ZINC001390886864 923795955 /nfs/dbraw/zinc/79/59/55/923795955.db2.gz JRKTXHOSSRZPCS-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001391049793 923796552 /nfs/dbraw/zinc/79/65/52/923796552.db2.gz SXGDXADDFCVJJT-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001391049793 923796561 /nfs/dbraw/zinc/79/65/61/923796561.db2.gz SXGDXADDFCVJJT-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC001391006741 923796592 /nfs/dbraw/zinc/79/65/92/923796592.db2.gz AJBITAWQIDLGDZ-NSHDSACASA-N 1 1 320.415 -1.748 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC001391006741 923796606 /nfs/dbraw/zinc/79/66/06/923796606.db2.gz AJBITAWQIDLGDZ-NSHDSACASA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccc(C(N)=O)n1)CC(=O)NC ZINC001391023648 923797096 /nfs/dbraw/zinc/79/70/96/923797096.db2.gz SSAORTCQPSIHBZ-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccc(C(N)=O)n1)CC(=O)NC ZINC001391023648 923797107 /nfs/dbraw/zinc/79/71/07/923797107.db2.gz SSAORTCQPSIHBZ-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391029833 923797187 /nfs/dbraw/zinc/79/71/87/923797187.db2.gz LNIJRKBBVJSKBT-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001391041367 923797238 /nfs/dbraw/zinc/79/72/38/923797238.db2.gz BADVZTVJKKWVIE-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001391041367 923797247 /nfs/dbraw/zinc/79/72/47/923797247.db2.gz BADVZTVJKKWVIE-SNVBAGLBSA-N 1 1 310.358 -1.962 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001391006831 923798477 /nfs/dbraw/zinc/79/84/77/923798477.db2.gz AXOSFOOLQYVIIR-LBPRGKRZSA-N 1 1 311.386 -1.272 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391030732 923799413 /nfs/dbraw/zinc/79/94/13/923799413.db2.gz MZFRTIKQOFXBGH-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391030732 923799424 /nfs/dbraw/zinc/79/94/24/923799424.db2.gz MZFRTIKQOFXBGH-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001391064613 923800873 /nfs/dbraw/zinc/80/08/73/923800873.db2.gz FDJROOHCPOEOBY-JTQLQIEISA-N 1 1 308.404 -2.045 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001391057217 923801348 /nfs/dbraw/zinc/80/13/48/923801348.db2.gz PJOLCSCEKTWGEH-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001391057755 923803144 /nfs/dbraw/zinc/80/31/44/923803144.db2.gz RLMLRBPFXDUDQM-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCC[N@H+]1CCO ZINC001391072263 923803172 /nfs/dbraw/zinc/80/31/72/923803172.db2.gz BZDUASNHALIEIM-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCC[N@@H+]1CCO ZINC001391072263 923803180 /nfs/dbraw/zinc/80/31/80/923803180.db2.gz BZDUASNHALIEIM-GFCCVEGCSA-N 1 1 319.427 -1.710 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391082009 923803641 /nfs/dbraw/zinc/80/36/41/923803641.db2.gz BJVFMCYSXKVHBM-SNVBAGLBSA-N 1 1 300.359 -1.938 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001391110588 923804676 /nfs/dbraw/zinc/80/46/76/923804676.db2.gz LDRZZWCTFHHBNM-JTQLQIEISA-N 1 1 323.357 -1.828 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001391090007 923804943 /nfs/dbraw/zinc/80/49/43/923804943.db2.gz ZVPJXGJVNWAQEM-VIFPVBQESA-N 1 1 323.357 -2.439 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001391091274 923805260 /nfs/dbraw/zinc/80/52/60/923805260.db2.gz DHXGGJALJJRALU-NSHDSACASA-N 1 1 309.374 -1.355 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391093898 923805514 /nfs/dbraw/zinc/80/55/14/923805514.db2.gz PYEPTRUNESSROC-GHMZBOCLSA-N 1 1 311.386 -1.368 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391098884 923805571 /nfs/dbraw/zinc/80/55/71/923805571.db2.gz NACOTJUYYVVYQB-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391093908 923805989 /nfs/dbraw/zinc/80/59/89/923805989.db2.gz PYEPTRUNESSROC-WDEREUQCSA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391088783 923806279 /nfs/dbraw/zinc/80/62/79/923806279.db2.gz FFULEBUBYJONTL-LVEVGFFFSA-N 1 1 324.381 -1.100 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)c1=O ZINC001391100110 923806460 /nfs/dbraw/zinc/80/64/60/923806460.db2.gz SAMICTXCZOFHQB-SNVBAGLBSA-N 1 1 323.353 -2.530 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391088786 923806578 /nfs/dbraw/zinc/80/65/78/923806578.db2.gz FFULEBUBYJONTL-RNWYCLNJSA-N 1 1 324.381 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001391100082 923806797 /nfs/dbraw/zinc/80/67/97/923806797.db2.gz NMTLVADQBMZNLI-MNOVXSKESA-N 1 1 324.385 -1.716 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cccn2)C1 ZINC001391087704 923807132 /nfs/dbraw/zinc/80/71/32/923807132.db2.gz MPMVTEPTAGWHET-NSHDSACASA-N 1 1 322.369 -1.094 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391088775 923807159 /nfs/dbraw/zinc/80/71/59/923807159.db2.gz FFULEBUBYJONTL-JCIQBVFBSA-N 1 1 324.381 -1.100 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCCS2(=O)=O)C1 ZINC001391094993 923807189 /nfs/dbraw/zinc/80/71/89/923807189.db2.gz JKVQBYSMBXUXNE-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001391094067 923807673 /nfs/dbraw/zinc/80/76/73/923807673.db2.gz FEYBIYNSMXSPNZ-RKDXNWHRSA-N 1 1 323.357 -1.550 20 0 DAADMO Cn1cnc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)c1 ZINC001391156491 923808923 /nfs/dbraw/zinc/80/89/23/923808923.db2.gz FNTOLNQLDHBQBZ-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)c1 ZINC001391156491 923808930 /nfs/dbraw/zinc/80/89/30/923808930.db2.gz FNTOLNQLDHBQBZ-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)cn1 ZINC001391150502 923809938 /nfs/dbraw/zinc/80/99/38/923809938.db2.gz NSXADFKSKDDUHB-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)cn1 ZINC001391150502 923809944 /nfs/dbraw/zinc/80/99/44/923809944.db2.gz NSXADFKSKDDUHB-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001391116841 923810680 /nfs/dbraw/zinc/81/06/80/923810680.db2.gz YZSCDVDPMJEJRR-LBPRGKRZSA-N 1 1 321.381 -1.183 20 0 DAADMO COC[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001391183099 923813298 /nfs/dbraw/zinc/81/32/98/923813298.db2.gz BKNWDYGYBIRAIT-VXGBXAGGSA-N 1 1 314.386 -1.402 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001391171438 923813386 /nfs/dbraw/zinc/81/33/86/923813386.db2.gz ZRBNWJWOYKTNFS-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@H]1CCCN(C(N)=O)C1)C1CC1 ZINC001391171438 923813393 /nfs/dbraw/zinc/81/33/93/923813393.db2.gz ZRBNWJWOYKTNFS-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)CN1CCCS1(=O)=O)C1CC1 ZINC001391166264 923813475 /nfs/dbraw/zinc/81/34/75/923813475.db2.gz FUPCOFVBZRGHEE-LLVKDONJSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001391212811 923815619 /nfs/dbraw/zinc/81/56/19/923815619.db2.gz URRZEWNGZLAFPA-KOLCDFICSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@H](CNC(=O)c1cnon1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001391212811 923815629 /nfs/dbraw/zinc/81/56/29/923815629.db2.gz URRZEWNGZLAFPA-KOLCDFICSA-N 1 1 311.342 -1.118 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)c1ccc(=O)n(C)n1)c1nnnn1C ZINC001391222435 923818482 /nfs/dbraw/zinc/81/84/82/923818482.db2.gz UJXRESTXVRWJHI-VIFPVBQESA-N 1 1 320.357 -1.273 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)c1ccc(=O)n(C)n1)c1nnnn1C ZINC001391222432 923819310 /nfs/dbraw/zinc/81/93/10/923819310.db2.gz UJXRESTXVRWJHI-SECBINFHSA-N 1 1 320.357 -1.273 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001391216184 923819599 /nfs/dbraw/zinc/81/95/99/923819599.db2.gz YFAGSGFSYAWWNP-MNOVXSKESA-N 1 1 324.385 -1.454 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001391216184 923819609 /nfs/dbraw/zinc/81/96/09/923819609.db2.gz YFAGSGFSYAWWNP-MNOVXSKESA-N 1 1 324.385 -1.454 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292937 923821727 /nfs/dbraw/zinc/82/17/27/923821727.db2.gz GXCBUTDIACUNAA-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001391292937 923821738 /nfs/dbraw/zinc/82/17/38/923821738.db2.gz GXCBUTDIACUNAA-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001391282918 923822126 /nfs/dbraw/zinc/82/21/26/923822126.db2.gz QGORSDUHPXEMMM-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001391261450 923822418 /nfs/dbraw/zinc/82/24/18/923822418.db2.gz URXNOKIILFUROU-SNVBAGLBSA-N 1 1 320.357 -1.253 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001391312836 923824633 /nfs/dbraw/zinc/82/46/33/923824633.db2.gz AGNFUFYISPRSMH-ZYHUDNBSSA-N 1 1 323.397 -1.225 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CN2CCCNC2=O)C1 ZINC001391312025 923825925 /nfs/dbraw/zinc/82/59/25/923825925.db2.gz ROEWLZZOYNWCJS-LLVKDONJSA-N 1 1 311.386 -1.285 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001391312827 923826001 /nfs/dbraw/zinc/82/60/01/923826001.db2.gz AGNFUFYISPRSMH-CMPLNLGQSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001391303075 923826504 /nfs/dbraw/zinc/82/65/04/923826504.db2.gz VZKNGSKOCCWJRR-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CCNC(N)=O)C1)[C@@H]1CCNC1=O ZINC001391362720 923828031 /nfs/dbraw/zinc/82/80/31/923828031.db2.gz ZCABRJLGQHQHPO-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001391371496 923828850 /nfs/dbraw/zinc/82/88/50/923828850.db2.gz ADHWCYBDEWAUQH-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001391371482 923829109 /nfs/dbraw/zinc/82/91/09/923829109.db2.gz ADHWCYBDEWAUQH-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001391348469 923829235 /nfs/dbraw/zinc/82/92/35/923829235.db2.gz SBJWHVGMWPIKNR-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391348060 923829940 /nfs/dbraw/zinc/82/99/40/923829940.db2.gz QISVWCXPCJYQRQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001391371519 923830121 /nfs/dbraw/zinc/83/01/21/923830121.db2.gz ADHWCYBDEWAUQH-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001391344081 923830349 /nfs/dbraw/zinc/83/03/49/923830349.db2.gz PREBVLZSEIEEQG-SNVBAGLBSA-N 1 1 300.359 -1.002 20 0 DAADMO O=C(NCC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001391337967 923830402 /nfs/dbraw/zinc/83/04/02/923830402.db2.gz NPMOQSIGIZCSSZ-WDEREUQCSA-N 1 1 305.400 -1.501 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001391402809 923831545 /nfs/dbraw/zinc/83/15/45/923831545.db2.gz OWFOSKYZRDMJGM-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001391391628 923832738 /nfs/dbraw/zinc/83/27/38/923832738.db2.gz SISWFLFDEHMOFD-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001391391628 923832746 /nfs/dbraw/zinc/83/27/46/923832746.db2.gz SISWFLFDEHMOFD-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001391389105 923833160 /nfs/dbraw/zinc/83/31/60/923833160.db2.gz VNWPLZCGRWSOSH-QWRGUYRKSA-N 1 1 310.354 -1.029 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC2CN(CC(=O)NC(N)=O)C2)no1 ZINC001391428171 923835207 /nfs/dbraw/zinc/83/52/07/923835207.db2.gz JTFWINLKMQRQCQ-UHFFFAOYSA-N 1 1 324.341 -1.655 20 0 DAADMO COCC(=O)NCC1C[NH+](CCN2CCCS2(=O)=O)C1 ZINC001391467128 923844240 /nfs/dbraw/zinc/84/42/40/923844240.db2.gz HVCRRSXQXBUILK-UHFFFAOYSA-N 1 1 305.400 -1.284 20 0 DAADMO Cc1nnc(CC(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)[nH]1 ZINC001391481753 923845495 /nfs/dbraw/zinc/84/54/95/923845495.db2.gz JKPHDAREDCBQIZ-LLVKDONJSA-N 1 1 306.370 -1.018 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)CN3CCNC(=O)C3)C2)C1=O ZINC001391495658 923849245 /nfs/dbraw/zinc/84/92/45/923849245.db2.gz VWULIGKDZDKGEF-LBPRGKRZSA-N 1 1 323.397 -2.303 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1CN(CC(=O)N2CCC2)C1 ZINC001391506308 923849397 /nfs/dbraw/zinc/84/93/97/923849397.db2.gz FSJQKKSHJWZPGN-UHFFFAOYSA-N 1 1 324.425 -1.011 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001391494862 923849493 /nfs/dbraw/zinc/84/94/93/923849493.db2.gz SZWJJSLEZKHCGR-LLVKDONJSA-N 1 1 311.386 -1.416 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1CN(CC(=O)NC(=O)NC)C1 ZINC001391510024 923850812 /nfs/dbraw/zinc/85/08/12/923850812.db2.gz KFEYHJWCWZRFPC-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCO1 ZINC001391528929 923852633 /nfs/dbraw/zinc/85/26/33/923852633.db2.gz YVDBZRMPDDERQA-WUHRBBMRSA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCO1 ZINC001391528929 923852638 /nfs/dbraw/zinc/85/26/38/923852638.db2.gz YVDBZRMPDDERQA-WUHRBBMRSA-N 1 1 300.355 -1.306 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001391544897 923855762 /nfs/dbraw/zinc/85/57/62/923855762.db2.gz NCWHZQGXLCFDDR-VWYCJHECSA-N 1 1 302.375 -1.369 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001391538098 923856003 /nfs/dbraw/zinc/85/60/03/923856003.db2.gz WMDFMWXZCZFLEL-UTLUCORTSA-N 1 1 306.388 -2.294 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001391538609 923856181 /nfs/dbraw/zinc/85/61/81/923856181.db2.gz YQERIDSSRWUTBV-BJDJZHNGSA-N 1 1 312.370 -1.698 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391561127 923856892 /nfs/dbraw/zinc/85/68/92/923856892.db2.gz LGSHFZBVLZFXAP-QWRGUYRKSA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391561127 923856902 /nfs/dbraw/zinc/85/69/02/923856902.db2.gz LGSHFZBVLZFXAP-QWRGUYRKSA-N 1 1 307.354 -1.302 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001391573110 923859386 /nfs/dbraw/zinc/85/93/86/923859386.db2.gz HPECBONSLRQPGH-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001391575318 923859421 /nfs/dbraw/zinc/85/94/21/923859421.db2.gz ARODSBQYFDRBLC-CMPLNLGQSA-N 1 1 319.365 -1.124 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1 ZINC001391575318 923859433 /nfs/dbraw/zinc/85/94/33/923859433.db2.gz ARODSBQYFDRBLC-CMPLNLGQSA-N 1 1 319.365 -1.124 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001391561576 923860494 /nfs/dbraw/zinc/86/04/94/923860494.db2.gz NCFRMVDPHGFXBP-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001391561576 923860510 /nfs/dbraw/zinc/86/05/10/923860510.db2.gz NCFRMVDPHGFXBP-NSHDSACASA-N 1 1 324.385 -1.390 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391592804 923861045 /nfs/dbraw/zinc/86/10/45/923861045.db2.gz QXBZWDVHIDKPQK-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2cnccc2=O)C1 ZINC001391592804 923861053 /nfs/dbraw/zinc/86/10/53/923861053.db2.gz QXBZWDVHIDKPQK-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001391592627 923861236 /nfs/dbraw/zinc/86/12/36/923861236.db2.gz PPDKBBWIXPCOGI-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001391592621 923861670 /nfs/dbraw/zinc/86/16/70/923861670.db2.gz PPDKBBWIXPCOGI-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001391600356 923863028 /nfs/dbraw/zinc/86/30/28/923863028.db2.gz BOIYMZOVKQGPOR-MXWKQRLJSA-N 1 1 321.399 -2.124 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001391608529 923863541 /nfs/dbraw/zinc/86/35/41/923863541.db2.gz FVDDBPPOQVUBOT-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001391608529 923863555 /nfs/dbraw/zinc/86/35/55/923863555.db2.gz FVDDBPPOQVUBOT-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001391600360 923865177 /nfs/dbraw/zinc/86/51/77/923865177.db2.gz BOIYMZOVKQGPOR-VWYCJHECSA-N 1 1 321.399 -2.124 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001391605653 923865985 /nfs/dbraw/zinc/86/59/85/923865985.db2.gz ZXVDGXTVPWWEQB-NWDGAFQWSA-N 1 1 323.401 -1.118 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001391624607 923866228 /nfs/dbraw/zinc/86/62/28/923866228.db2.gz GZYMMZCUPOEUOJ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001391641071 923867256 /nfs/dbraw/zinc/86/72/56/923867256.db2.gz JESGMUCRSZXYHG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001391641071 923867265 /nfs/dbraw/zinc/86/72/65/923867265.db2.gz JESGMUCRSZXYHG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C ZINC001391675252 923867465 /nfs/dbraw/zinc/86/74/65/923867465.db2.gz FGGHWTGESGYFGD-NSHDSACASA-N 1 1 311.390 -1.473 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001391650207 923867488 /nfs/dbraw/zinc/86/74/88/923867488.db2.gz OOSFRTXHUNOHLW-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001391650207 923867500 /nfs/dbraw/zinc/86/75/00/923867500.db2.gz OOSFRTXHUNOHLW-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001391628360 923869131 /nfs/dbraw/zinc/86/91/31/923869131.db2.gz FGPDCZMRGLWKKJ-VXGBXAGGSA-N 1 1 323.397 -1.273 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001391650292 923869402 /nfs/dbraw/zinc/86/94/02/923869402.db2.gz OOSFRTXHUNOHLW-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001391650292 923869410 /nfs/dbraw/zinc/86/94/10/923869410.db2.gz OOSFRTXHUNOHLW-WDEREUQCSA-N 1 1 309.374 -1.140 20 0 DAADMO CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1cn(C)nn1 ZINC001391705309 923871206 /nfs/dbraw/zinc/87/12/06/923871206.db2.gz PBMLDQQGGDHXGT-JTQLQIEISA-N 1 1 322.373 -1.605 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001391702195 923872334 /nfs/dbraw/zinc/87/23/34/923872334.db2.gz VFVXAUOWYCANIS-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1ncnn1C ZINC001391729425 923875801 /nfs/dbraw/zinc/87/58/01/923875801.db2.gz VMVKJLXBGFXOHZ-BDAKNGLRSA-N 1 1 323.357 -1.602 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001391783999 923877872 /nfs/dbraw/zinc/87/78/72/923877872.db2.gz DCAXIZJWTQKQCG-GFCCVEGCSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)n1 ZINC001391783999 923877884 /nfs/dbraw/zinc/87/78/84/923877884.db2.gz DCAXIZJWTQKQCG-GFCCVEGCSA-N 1 1 324.385 -1.324 20 0 DAADMO CNC(=O)NCC(=O)N[C@@](C)(C[NH2+]Cc1nnnn1C)C1CC1 ZINC001391805681 923878677 /nfs/dbraw/zinc/87/86/77/923878677.db2.gz SKIOXGNFYKXVID-ZDUSSCGKSA-N 1 1 324.389 -1.486 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001391886960 923882815 /nfs/dbraw/zinc/88/28/15/923882815.db2.gz MERYHJDKGAKUOT-VIFPVBQESA-N 1 1 307.362 -1.023 20 0 DAADMO C[C@H](CNC(=O)c1cnn[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001391906643 923883498 /nfs/dbraw/zinc/88/34/98/923883498.db2.gz UFWAQTOCWLCPBO-JTQLQIEISA-N 1 1 310.358 -1.381 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001391930576 923885873 /nfs/dbraw/zinc/88/58/73/923885873.db2.gz NBYQUBQHQWFZSM-VIFPVBQESA-N 1 1 310.358 -1.250 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969892 923891458 /nfs/dbraw/zinc/89/14/58/923891458.db2.gz HMKACFUHSPMAHG-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969892 923891464 /nfs/dbraw/zinc/89/14/64/923891464.db2.gz HMKACFUHSPMAHG-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969869 923892079 /nfs/dbraw/zinc/89/20/79/923892079.db2.gz HMKACFUHSPMAHG-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969902 923891969 /nfs/dbraw/zinc/89/19/69/923891969.db2.gz HMKACFUHSPMAHG-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969902 923891977 /nfs/dbraw/zinc/89/19/77/923891977.db2.gz HMKACFUHSPMAHG-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001391969869 923892087 /nfs/dbraw/zinc/89/20/87/923892087.db2.gz HMKACFUHSPMAHG-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976107 923893400 /nfs/dbraw/zinc/89/34/00/923893400.db2.gz IFUQSSCMZXJOKY-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)CCC[N@H+]1CCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001391976107 923893408 /nfs/dbraw/zinc/89/34/08/923893408.db2.gz IFUQSSCMZXJOKY-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001391989887 923898784 /nfs/dbraw/zinc/89/87/84/923898784.db2.gz PDSVNQFDFMJOKF-NEPJUHHUSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN([C@H](C)C(N)=O)CCO1 ZINC001391994197 923900644 /nfs/dbraw/zinc/90/06/44/923900644.db2.gz VHHFVDPIUBNCLR-PWSUYJOCSA-N 1 1 309.370 -1.118 20 0 DAADMO CC(C)C(=O)NC[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392007576 923906613 /nfs/dbraw/zinc/90/66/13/923906613.db2.gz FRMUYJHBPOFVRL-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392008894 923906920 /nfs/dbraw/zinc/90/69/20/923906920.db2.gz KEPXXOIZWQGUFZ-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1cccc1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392008894 923906929 /nfs/dbraw/zinc/90/69/29/923906929.db2.gz KEPXXOIZWQGUFZ-WCQYABFASA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1nccc1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392036261 923916514 /nfs/dbraw/zinc/91/65/14/923916514.db2.gz IGZRGTUXEBJVNO-STQMWFEESA-N 1 1 323.397 -1.350 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)CS(C)(=O)=O ZINC001392039991 923919329 /nfs/dbraw/zinc/91/93/29/923919329.db2.gz GXHHBZUVBFPHEY-SECBINFHSA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)CS(C)(=O)=O ZINC001392047111 923919856 /nfs/dbraw/zinc/91/98/56/923919856.db2.gz VOPJEWFWONEVIE-VIFPVBQESA-N 1 1 303.388 -1.204 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cnn(C)c1N ZINC001392059122 923921478 /nfs/dbraw/zinc/92/14/78/923921478.db2.gz KJYGNXYCCKCLOR-QMMMGPOBSA-N 1 1 307.362 -1.224 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001392086265 923925785 /nfs/dbraw/zinc/92/57/85/923925785.db2.gz BYOCTZYACIVROS-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001392078500 923926350 /nfs/dbraw/zinc/92/63/50/923926350.db2.gz VGTFELPWBHPUEF-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(C)(C)O)C1 ZINC001392078494 923926367 /nfs/dbraw/zinc/92/63/67/923926367.db2.gz VGTFELPWBHPUEF-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001392094178 923929489 /nfs/dbraw/zinc/92/94/89/923929489.db2.gz VKMBZSQWPNLVMX-ZJUUUORDSA-N 1 1 309.374 -1.233 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001392089756 923929564 /nfs/dbraw/zinc/92/95/64/923929564.db2.gz VDYVEDAWAXWACN-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cccnn2)C1 ZINC001392096454 923932194 /nfs/dbraw/zinc/93/21/94/923932194.db2.gz DUXSZTCTTXDVFJ-WDEREUQCSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1nccn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392096277 923932262 /nfs/dbraw/zinc/93/22/62/923932262.db2.gz DBJDEQOBZVNRRW-QWHCGFSZSA-N 1 1 323.397 -1.263 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001392103573 923934936 /nfs/dbraw/zinc/93/49/36/923934936.db2.gz GHWPISFCHZEEFL-BDAKNGLRSA-N 1 1 319.387 -1.056 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001392102716 923935694 /nfs/dbraw/zinc/93/56/94/923935694.db2.gz XNHWZDGJBHFKBG-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001392115766 923937622 /nfs/dbraw/zinc/93/76/22/923937622.db2.gz MQKDLNHPAKSYNK-SECBINFHSA-N 1 1 324.341 -1.052 20 0 DAADMO CC[C@H](C(=O)NC[C@H](O)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001392130305 923938370 /nfs/dbraw/zinc/93/83/70/923938370.db2.gz NNSOZWZAQIXRJM-NXEZZACHSA-N 1 1 312.374 -1.719 20 0 DAADMO Cc1cncn1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001392142382 923940977 /nfs/dbraw/zinc/94/09/77/923940977.db2.gz MRBLQOLANVFGIS-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn1cncn1)C1CCC1 ZINC001392135078 923942009 /nfs/dbraw/zinc/94/20/09/923942009.db2.gz UGCQDVCWJKNPKP-LBPRGKRZSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1nnc[nH]1)C1CCC1 ZINC001392133258 923942076 /nfs/dbraw/zinc/94/20/76/923942076.db2.gz PGBWFINOTLPPNH-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001392133258 923942081 /nfs/dbraw/zinc/94/20/81/923942081.db2.gz PGBWFINOTLPPNH-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1ncn[nH]1)C1CCC1 ZINC001392133258 923942090 /nfs/dbraw/zinc/94/20/90/923942090.db2.gz PGBWFINOTLPPNH-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001392133258 923942095 /nfs/dbraw/zinc/94/20/95/923942095.db2.gz PGBWFINOTLPPNH-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c1nc[nH]n1)C1CCC1 ZINC001392133258 923942106 /nfs/dbraw/zinc/94/21/06/923942106.db2.gz PGBWFINOTLPPNH-JTQLQIEISA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn1cncn1)C1CCC1 ZINC001392135075 923942284 /nfs/dbraw/zinc/94/22/84/923942284.db2.gz UGCQDVCWJKNPKP-GFCCVEGCSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1cncc1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001392147447 923944896 /nfs/dbraw/zinc/94/48/96/923944896.db2.gz UJNUGTJSJMGGFA-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392145985 923945292 /nfs/dbraw/zinc/94/52/92/923945292.db2.gz YQDIXNQMRNODNZ-QWRGUYRKSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2nnnn2C)C(C)C)C1 ZINC001392211852 923948743 /nfs/dbraw/zinc/94/87/43/923948743.db2.gz HALHSUFREGVZCE-GFCCVEGCSA-N 1 1 323.401 -1.081 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cnn(C)n1 ZINC001392204541 923950053 /nfs/dbraw/zinc/95/00/53/923950053.db2.gz JAQUXLYUOXXJNT-LLVKDONJSA-N 1 1 307.362 -1.268 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001392211416 923950299 /nfs/dbraw/zinc/95/02/99/923950299.db2.gz BGZHDIZZJQKEGY-WDEREUQCSA-N 1 1 323.401 -1.033 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)[NH2+]Cc1nnnn1C ZINC001392207083 923950416 /nfs/dbraw/zinc/95/04/16/923950416.db2.gz OQHIPRVYWCIDPC-MNOVXSKESA-N 1 1 312.374 -1.144 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCn1cncn1 ZINC001392261217 923951267 /nfs/dbraw/zinc/95/12/67/923951267.db2.gz TYJFXYBOAOFBMW-UHFFFAOYSA-N 1 1 311.346 -1.747 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCn1cncn1 ZINC001392261217 923951281 /nfs/dbraw/zinc/95/12/81/923951281.db2.gz TYJFXYBOAOFBMW-UHFFFAOYSA-N 1 1 311.346 -1.747 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392259689 923951918 /nfs/dbraw/zinc/95/19/18/923951918.db2.gz MLDGRIYYJHCERS-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCOC1 ZINC001392259689 923951925 /nfs/dbraw/zinc/95/19/25/923951925.db2.gz MLDGRIYYJHCERS-NXEZZACHSA-N 1 1 300.359 -1.004 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]([NH2+]Cc1cnon1)C(C)C ZINC001392253223 923953056 /nfs/dbraw/zinc/95/30/56/923953056.db2.gz NGRGHWLZYBFUTN-SNVBAGLBSA-N 1 1 319.387 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392262299 923953170 /nfs/dbraw/zinc/95/31/70/923953170.db2.gz CUUALAONELOKJW-JTQLQIEISA-N 1 1 316.358 -1.752 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001392262299 923953178 /nfs/dbraw/zinc/95/31/78/923953178.db2.gz CUUALAONELOKJW-JTQLQIEISA-N 1 1 316.358 -1.752 20 0 DAADMO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001392284025 923955082 /nfs/dbraw/zinc/95/50/82/923955082.db2.gz KWEUFFPCUOTQOC-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001392284025 923955094 /nfs/dbraw/zinc/95/50/94/923955094.db2.gz KWEUFFPCUOTQOC-MNOVXSKESA-N 1 1 310.416 -1.183 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001392284374 923955306 /nfs/dbraw/zinc/95/53/06/923955306.db2.gz MLQZBGROXBMZNV-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001392284374 923955315 /nfs/dbraw/zinc/95/53/15/923955315.db2.gz MLQZBGROXBMZNV-JTQLQIEISA-N 1 1 309.370 -1.081 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@H]1CCCN(C)C1=O ZINC001392280029 923955407 /nfs/dbraw/zinc/95/54/07/923955407.db2.gz SDENNVHICVPAMP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC001392280029 923955420 /nfs/dbraw/zinc/95/54/20/923955420.db2.gz SDENNVHICVPAMP-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001392273179 923955893 /nfs/dbraw/zinc/95/58/93/923955893.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001392273179 923955904 /nfs/dbraw/zinc/95/59/04/923955904.db2.gz RSRLLGNDIMMARV-NEPJUHHUSA-N 1 1 300.403 -1.029 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001392280914 923956196 /nfs/dbraw/zinc/95/61/96/923956196.db2.gz YGSBGLFRLOPGLX-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC001392280914 923956208 /nfs/dbraw/zinc/95/62/08/923956208.db2.gz YGSBGLFRLOPGLX-JTQLQIEISA-N 1 1 313.402 -1.027 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1COCCO1 ZINC001392263882 923956541 /nfs/dbraw/zinc/95/65/41/923956541.db2.gz NDNMKAMUGXETQA-LLVKDONJSA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@H]1COCCO1 ZINC001392263882 923956556 /nfs/dbraw/zinc/95/65/56/923956556.db2.gz NDNMKAMUGXETQA-LLVKDONJSA-N 1 1 323.415 -1.659 20 0 DAADMO CN(CC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392305145 923961009 /nfs/dbraw/zinc/96/10/09/923961009.db2.gz BHFOUIVPGCLQPU-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001392322430 923962135 /nfs/dbraw/zinc/96/21/35/923962135.db2.gz WWVGEYIFMNWUAM-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO Cc1nn(CC(=O)N(C)CC[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001392322430 923962142 /nfs/dbraw/zinc/96/21/42/923962142.db2.gz WWVGEYIFMNWUAM-LLVKDONJSA-N 1 1 324.385 -1.831 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392325101 923962333 /nfs/dbraw/zinc/96/23/33/923962333.db2.gz HQESWHYPYQQHMR-MRVPVSSYSA-N 1 1 311.342 -1.637 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001392325101 923962346 /nfs/dbraw/zinc/96/23/46/923962346.db2.gz HQESWHYPYQQHMR-MRVPVSSYSA-N 1 1 311.342 -1.637 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001392320970 923963258 /nfs/dbraw/zinc/96/32/58/923963258.db2.gz DZOBEVSDUCHIRV-VIFPVBQESA-N 1 1 308.404 -1.858 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001392320970 923963264 /nfs/dbraw/zinc/96/32/64/923963264.db2.gz DZOBEVSDUCHIRV-VIFPVBQESA-N 1 1 308.404 -1.858 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001392333677 923963603 /nfs/dbraw/zinc/96/36/03/923963603.db2.gz PRFDJNHZQRFSBV-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C(C)C ZINC001392340619 923966159 /nfs/dbraw/zinc/96/61/59/923966159.db2.gz KXHIYHYUQJOSGV-NSHDSACASA-N 1 1 312.374 -1.438 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nncs1)C1=COCCO1 ZINC001392350881 923968208 /nfs/dbraw/zinc/96/82/08/923968208.db2.gz MVQJPOXVOUMRGS-MRVPVSSYSA-N 1 1 300.340 -1.007 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cnn1C ZINC001392354323 923969971 /nfs/dbraw/zinc/96/99/71/923969971.db2.gz PFDWMTNKNVBIJR-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001392358875 923971854 /nfs/dbraw/zinc/97/18/54/923971854.db2.gz NBFISDBICYCRDU-NSHDSACASA-N 1 1 307.358 -1.642 20 0 DAADMO COC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001392356815 923972933 /nfs/dbraw/zinc/97/29/33/923972933.db2.gz QGKBSKDOEMJIFC-NXEZZACHSA-N 1 1 311.342 -1.040 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1=COCCO1)c1nnnn1C ZINC001392356700 923973327 /nfs/dbraw/zinc/97/33/27/923973327.db2.gz ZMQTYCYWSPECJC-IUCAKERBSA-N 1 1 312.330 -1.774 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001392362503 923974423 /nfs/dbraw/zinc/97/44/23/923974423.db2.gz DVVOMUJWLCIKTB-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)no1 ZINC001392362363 923975280 /nfs/dbraw/zinc/97/52/80/923975280.db2.gz FFCQRUWRAYDKTJ-QWHCGFSZSA-N 1 1 312.370 -1.120 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392361192 923976185 /nfs/dbraw/zinc/97/61/85/923976185.db2.gz YDJUAIYRUMPZOE-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001392364514 923976951 /nfs/dbraw/zinc/97/69/51/923976951.db2.gz LJSCBMFWEGQBNU-RYUDHWBXSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)cn1 ZINC001392362993 923976814 /nfs/dbraw/zinc/97/68/14/923976814.db2.gz JIPWBBMULUPQLU-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2cc[nH]n2)n1 ZINC001392365123 923977981 /nfs/dbraw/zinc/97/79/81/923977981.db2.gz MTXSLILNAZPSGO-LBPRGKRZSA-N 1 1 307.358 -1.170 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1)c1ncccn1 ZINC001392365561 923978202 /nfs/dbraw/zinc/97/82/02/923978202.db2.gz KBWGJRFHXFRWHA-QWHCGFSZSA-N 1 1 323.397 -1.064 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001392367511 923978763 /nfs/dbraw/zinc/97/87/63/923978763.db2.gz SZKNALYYMYSMGN-GHMZBOCLSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)nn1 ZINC001392367512 923978790 /nfs/dbraw/zinc/97/87/90/923978790.db2.gz SZKNALYYMYSMGN-WDEREUQCSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cc[nH]n2)n1 ZINC001392365120 923979287 /nfs/dbraw/zinc/97/92/87/923979287.db2.gz MTXSLILNAZPSGO-GFCCVEGCSA-N 1 1 307.358 -1.170 20 0 DAADMO Cc1[nH]nc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)c1C ZINC001392368006 923979538 /nfs/dbraw/zinc/97/95/38/923979538.db2.gz UMOVNDCWMYUZDL-UWVGGRQHSA-N 1 1 322.373 -1.008 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncccc1O ZINC001392365412 923979554 /nfs/dbraw/zinc/97/95/54/923979554.db2.gz VRKNOPMOMDEVMQ-JTQLQIEISA-N 1 1 310.354 -1.008 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)n1 ZINC001392366324 923979944 /nfs/dbraw/zinc/97/99/44/923979944.db2.gz GEMLTNJMDILJJM-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)co1 ZINC001392367284 923980512 /nfs/dbraw/zinc/98/05/12/923980512.db2.gz OEFZHJJLGIJFDU-CYBMUJFWSA-N 1 1 312.370 -1.118 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nccs1)[C@H]1COC(=O)N1 ZINC001392370652 923981788 /nfs/dbraw/zinc/98/17/88/923981788.db2.gz ZTJSLQZKLNYFCJ-HTQZYQBOSA-N 1 1 300.340 -1.182 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392369813 923982172 /nfs/dbraw/zinc/98/21/72/923982172.db2.gz OLHPFSCGYDPNTD-VIFPVBQESA-N 1 1 308.346 -1.395 20 0 DAADMO Cn1nnnc1CNC[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392370788 923982868 /nfs/dbraw/zinc/98/28/68/923982868.db2.gz AICRSPRWXNAOSM-LLVKDONJSA-N 1 1 311.390 -1.739 20 0 DAADMO CCn1ncnc1CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001392368410 923982931 /nfs/dbraw/zinc/98/29/31/923982931.db2.gz VFWRMUKFOBQSAS-RYUDHWBXSA-N 1 1 310.402 -1.041 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nncn2C)n1 ZINC001392368855 923983782 /nfs/dbraw/zinc/98/37/82/923983782.db2.gz IZFSHPJXQMHWMW-ZJUUUORDSA-N 1 1 322.373 -1.132 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1coc(C)n1 ZINC001392370566 923983832 /nfs/dbraw/zinc/98/38/32/923983832.db2.gz VGJTVBQBIMRZAE-LLVKDONJSA-N 1 1 313.358 -1.131 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001392369812 923983906 /nfs/dbraw/zinc/98/39/06/923983906.db2.gz OLHPFSCGYDPNTD-SECBINFHSA-N 1 1 308.346 -1.395 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001392373059 923985680 /nfs/dbraw/zinc/98/56/80/923985680.db2.gz JWSGDXDGSPWWET-GFCCVEGCSA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCNC2=O)[nH]1 ZINC001392374892 923986517 /nfs/dbraw/zinc/98/65/17/923986517.db2.gz MWVSYSFODOHONJ-ZJUUUORDSA-N 1 1 310.358 -1.794 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001392375131 923986903 /nfs/dbraw/zinc/98/69/03/923986903.db2.gz NFGZLRHSWGYSGA-VXGBXAGGSA-N 1 1 321.381 -1.122 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)ncn1 ZINC001392375979 923988495 /nfs/dbraw/zinc/98/84/95/923988495.db2.gz NIDCGCNGJFATIW-VIFPVBQESA-N 1 1 321.341 -1.208 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]Cc2cncn2C)n[nH]1 ZINC001392377558 923989095 /nfs/dbraw/zinc/98/90/95/923989095.db2.gz SJALPXFFEJIEKM-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001392378292 923989419 /nfs/dbraw/zinc/98/94/19/923989419.db2.gz OACZIFXNBLODRE-VIFPVBQESA-N 1 1 320.357 -1.767 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001392376675 923989541 /nfs/dbraw/zinc/98/95/41/923989541.db2.gz OQCSOQQKMSPWMF-NXEZZACHSA-N 1 1 314.346 -2.418 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c(C)n1 ZINC001392375632 923989632 /nfs/dbraw/zinc/98/96/32/923989632.db2.gz MSTZFVOEKNLTLB-NSHDSACASA-N 1 1 322.373 -1.466 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O)c1nncn1C ZINC001392380210 923991544 /nfs/dbraw/zinc/99/15/44/923991544.db2.gz GSASFQXZIKKVBO-IUCAKERBSA-N 1 1 321.341 -1.248 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cnc[nH]c2=O)n1 ZINC001392379971 923991885 /nfs/dbraw/zinc/99/18/85/923991885.db2.gz GFOLFCDXQMTTJR-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO Cc1c(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)cnn1C ZINC001392379511 923992678 /nfs/dbraw/zinc/99/26/78/923992678.db2.gz NIWWTILKENVFQP-NSHDSACASA-N 1 1 322.373 -1.939 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001392384704 923994640 /nfs/dbraw/zinc/99/46/40/923994640.db2.gz OPCKRBSHEXAHQL-NXEZZACHSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001392384712 923996474 /nfs/dbraw/zinc/99/64/74/923996474.db2.gz OPCKRBSHEXAHQL-VHSXEESVSA-N 1 1 310.358 -1.950 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392381766 923996637 /nfs/dbraw/zinc/99/66/37/923996637.db2.gz WORBZQAHHXJGMG-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001392382963 923996832 /nfs/dbraw/zinc/99/68/32/923996832.db2.gz LGTNVHCEANATOS-GHMZBOCLSA-N 1 1 324.385 -1.467 20 0 DAADMO COc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)nc1 ZINC001392386460 923999194 /nfs/dbraw/zinc/99/91/94/923999194.db2.gz KNPDIGYDFPKFCW-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)[nH]1 ZINC001392386028 923999277 /nfs/dbraw/zinc/99/92/77/923999277.db2.gz KBSRTVFVRLHUTE-VIFPVBQESA-N 1 1 319.387 -1.885 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392385261 923999692 /nfs/dbraw/zinc/99/96/92/923999692.db2.gz XOMFYJHPTWMCCZ-QWHCGFSZSA-N 1 1 312.370 -1.038 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001392387517 923999733 /nfs/dbraw/zinc/99/97/33/923999733.db2.gz MQWMHOZMARGBQX-NXEZZACHSA-N 1 1 312.374 -1.439 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CCCC(=O)N2)[nH]1 ZINC001392385720 923999950 /nfs/dbraw/zinc/99/99/50/923999950.db2.gz IZBILEORGFLEGK-WDEREUQCSA-N 1 1 324.385 -1.261 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392386060 924000144 /nfs/dbraw/zinc/00/01/44/924000144.db2.gz ZGBCIUONGHBMBS-ZJUUUORDSA-N 1 1 310.358 -2.140 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)[C@H]1CCNC(=O)CC1 ZINC001392391831 924001133 /nfs/dbraw/zinc/00/11/33/924001133.db2.gz RGOKJXYVUQCCSW-KOLCDFICSA-N 1 1 311.342 -1.447 20 0 DAADMO CN1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001392389786 924002467 /nfs/dbraw/zinc/00/24/67/924002467.db2.gz OZIIKRYTVAUBJB-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)n1 ZINC001392389965 924003114 /nfs/dbraw/zinc/00/31/14/924003114.db2.gz PIFWWFGIYRXZSP-BXUZGUMPSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1cnon1)[C@@H]1CCNC(=O)CC1 ZINC001392391825 924003197 /nfs/dbraw/zinc/00/31/97/924003197.db2.gz RGOKJXYVUQCCSW-GXSJLCMTSA-N 1 1 311.342 -1.447 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)n1 ZINC001392389642 924003468 /nfs/dbraw/zinc/00/34/68/924003468.db2.gz OTMOPWFUAMZJCA-SNVBAGLBSA-N 1 1 319.387 -2.184 20 0 DAADMO COc1nccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)n1 ZINC001392389122 924004142 /nfs/dbraw/zinc/00/41/42/924004142.db2.gz MOQFKSJEZQEWIL-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1[nH]nc2c1CCCC2)C(N)=O ZINC001392392148 924005977 /nfs/dbraw/zinc/00/59/77/924005977.db2.gz UHFRFXSEXPUNGS-DTWKUNHWSA-N 1 1 309.370 -1.157 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCCC2)C(N)=O ZINC001392392147 924007577 /nfs/dbraw/zinc/00/75/77/924007577.db2.gz UHFRFXSEXPUNGS-BDAKNGLRSA-N 1 1 309.370 -1.157 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001392398716 924009309 /nfs/dbraw/zinc/00/93/09/924009309.db2.gz PUMWWPIVJVCTCU-LLVKDONJSA-N 1 1 321.385 -1.252 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001392400227 924009717 /nfs/dbraw/zinc/00/97/17/924009717.db2.gz HZAWXKBWRSIZGZ-LOWDOPEQSA-N 1 1 309.370 -1.051 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC001392396077 924010476 /nfs/dbraw/zinc/01/04/76/924010476.db2.gz UGSROUQGGYLNTL-RISCZKNCSA-N 1 1 324.385 -1.467 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001392398726 924010923 /nfs/dbraw/zinc/01/09/23/924010923.db2.gz PUMWWPIVJVCTCU-NSHDSACASA-N 1 1 321.385 -1.252 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nonc1C ZINC001392402809 924012170 /nfs/dbraw/zinc/01/21/70/924012170.db2.gz QAXWLEHLGZOUDB-MNOVXSKESA-N 1 1 313.358 -1.141 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCc2cnn(C)n2)[nH]1 ZINC001392400268 924012522 /nfs/dbraw/zinc/01/25/22/924012522.db2.gz IPBCMTRCJQUGQQ-LLVKDONJSA-N 1 1 322.373 -1.559 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001392403187 924013549 /nfs/dbraw/zinc/01/35/49/924013549.db2.gz TXHZHPAMBMMBPQ-NXEZZACHSA-N 1 1 312.374 -1.581 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)C1CC1 ZINC001392408499 924017490 /nfs/dbraw/zinc/01/74/90/924017490.db2.gz IXBZILGFYLTAEH-WCBMZHEXSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@H](NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)C1CC1 ZINC001392408499 924017505 /nfs/dbraw/zinc/01/75/05/924017505.db2.gz IXBZILGFYLTAEH-WCBMZHEXSA-N 1 1 310.358 -1.600 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)NC1CCCC1 ZINC001392412541 924019595 /nfs/dbraw/zinc/01/95/95/924019595.db2.gz WQOFTCODEJWKAY-ONGXEEELSA-N 1 1 324.385 -1.068 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)NC1CCCC1 ZINC001392412541 924019602 /nfs/dbraw/zinc/01/96/02/924019602.db2.gz WQOFTCODEJWKAY-ONGXEEELSA-N 1 1 324.385 -1.068 20 0 DAADMO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)ccc1=O ZINC001392419653 924022637 /nfs/dbraw/zinc/02/26/37/924022637.db2.gz GQZFIHJLQGTQGT-MRVPVSSYSA-N 1 1 324.366 -1.488 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392420170 924022772 /nfs/dbraw/zinc/02/27/72/924022772.db2.gz NOBKANKYVJMAPM-VHSXEESVSA-N 1 1 322.373 -1.388 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)Cc1cncn1C ZINC001392421496 924023621 /nfs/dbraw/zinc/02/36/21/924023621.db2.gz JWRVUORTRABMOS-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001392420166 924024885 /nfs/dbraw/zinc/02/48/85/924024885.db2.gz NOBKANKYVJMAPM-UWVGGRQHSA-N 1 1 322.373 -1.388 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001392417741 924025165 /nfs/dbraw/zinc/02/51/65/924025165.db2.gz CUMVVGJNHRGRCV-CYBMUJFWSA-N 1 1 321.385 -1.252 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392423756 924026411 /nfs/dbraw/zinc/02/64/11/924026411.db2.gz REMZWSBHELONRB-UWVGGRQHSA-N 1 1 310.358 -1.857 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392423759 924027540 /nfs/dbraw/zinc/02/75/40/924027540.db2.gz REMZWSBHELONRB-ZJUUUORDSA-N 1 1 310.358 -1.857 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1C ZINC001392425616 924027900 /nfs/dbraw/zinc/02/79/00/924027900.db2.gz IZCSVCYATYRGEM-LLVKDONJSA-N 1 1 321.385 -1.009 20 0 DAADMO CCc1nc(C)c(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001392432856 924029999 /nfs/dbraw/zinc/02/99/99/924029999.db2.gz ZLLVQXSHJUCBOG-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)Cc2nnc[nH]2)cn1 ZINC001392429365 924030455 /nfs/dbraw/zinc/03/04/55/924030455.db2.gz TUFORZJFPIIIEI-LLVKDONJSA-N 1 1 305.342 -1.287 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)N(C)C ZINC001392431465 924030498 /nfs/dbraw/zinc/03/04/98/924030498.db2.gz WPLUOXGITZSXNR-NEPJUHHUSA-N 1 1 300.403 -1.374 20 0 DAADMO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)nn1C ZINC001392430343 924031539 /nfs/dbraw/zinc/03/15/39/924031539.db2.gz QHJILXMOZIRCQY-NSHDSACASA-N 1 1 321.385 -1.009 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN(C)S(C)(=O)=O ZINC001392487618 924036854 /nfs/dbraw/zinc/03/68/54/924036854.db2.gz NDQGWFXOUPQLIZ-MRVPVSSYSA-N 1 1 319.391 -2.304 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)n1 ZINC001392475521 924037043 /nfs/dbraw/zinc/03/70/43/924037043.db2.gz GHAUVBUYPJUFHL-SECBINFHSA-N 1 1 307.362 -1.113 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001392492871 924038612 /nfs/dbraw/zinc/03/86/12/924038612.db2.gz CYYAUTPKUVWBCI-ZJUUUORDSA-N 1 1 315.399 -1.156 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1c[nH]c(=O)cn1 ZINC001392509150 924039131 /nfs/dbraw/zinc/03/91/31/924039131.db2.gz ZUZSCKCVNHZPKC-SFYZADRCSA-N 1 1 306.330 -1.238 20 0 DAADMO COc1nccc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)n1 ZINC001392494123 924040125 /nfs/dbraw/zinc/04/01/25/924040125.db2.gz FZXDDFPXPSEJRJ-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ncn[nH]1 ZINC001392515742 924042238 /nfs/dbraw/zinc/04/22/38/924042238.db2.gz KISAMHIWNPVQJX-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1nc[nH]n1 ZINC001392515742 924042254 /nfs/dbraw/zinc/04/22/54/924042254.db2.gz KISAMHIWNPVQJX-ZJUUUORDSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)COCc1nncn1C ZINC001392521715 924042763 /nfs/dbraw/zinc/04/27/63/924042763.db2.gz YRGYWNKZFDIHSP-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)Cn1ccccc1=O ZINC001392531448 924045038 /nfs/dbraw/zinc/04/50/38/924045038.db2.gz TXXAEWPBFMEOIL-SNVBAGLBSA-N 1 1 305.342 -1.334 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001392535360 924045177 /nfs/dbraw/zinc/04/51/77/924045177.db2.gz FGNMLEWBINAYKX-SCZZXKLOSA-N 1 1 316.387 -1.899 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001392535276 924045594 /nfs/dbraw/zinc/04/55/94/924045594.db2.gz FCXIWBBGBQEEMG-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001392536681 924047196 /nfs/dbraw/zinc/04/71/96/924047196.db2.gz KSTXUNODGVLUSM-VXNVDRBHSA-N 1 1 303.344 -1.644 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001392561992 924049460 /nfs/dbraw/zinc/04/94/60/924049460.db2.gz ZUVKHIOLIMZBFH-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCCNC1=O ZINC001392572709 924051435 /nfs/dbraw/zinc/05/14/35/924051435.db2.gz GTBZOFXCPJPUPY-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001392584427 924052080 /nfs/dbraw/zinc/05/20/80/924052080.db2.gz ZZHGBSSZUBAXGY-VHSXEESVSA-N 1 1 323.401 -1.300 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1CNC(=O)N1 ZINC001392591327 924052408 /nfs/dbraw/zinc/05/24/08/924052408.db2.gz QDDKCJJSFIBRAQ-DTWKUNHWSA-N 1 1 323.357 -1.916 20 0 DAADMO C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)Cc1nnc[nH]1 ZINC001392606436 924056085 /nfs/dbraw/zinc/05/60/85/924056085.db2.gz SVPAOBIXXGPXCN-QWRGUYRKSA-N 1 1 324.385 -1.406 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)c1ccc(=O)n(C)n1 ZINC001392613977 924056511 /nfs/dbraw/zinc/05/65/11/924056511.db2.gz JTNWGFYZCSPCQT-VIFPVBQESA-N 1 1 305.342 -1.183 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001392629833 924057196 /nfs/dbraw/zinc/05/71/96/924057196.db2.gz OLAMKHLKAORIJB-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001392629833 924057208 /nfs/dbraw/zinc/05/72/08/924057208.db2.gz OLAMKHLKAORIJB-SECBINFHSA-N 1 1 314.342 -1.233 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1COC(=O)C1 ZINC001392638305 924057233 /nfs/dbraw/zinc/05/72/33/924057233.db2.gz BNUSWXWCSUVCEU-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@H]1COC(=O)C1 ZINC001392638305 924057243 /nfs/dbraw/zinc/05/72/43/924057243.db2.gz BNUSWXWCSUVCEU-RKDXNWHRSA-N 1 1 314.342 -1.429 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001392629834 924057979 /nfs/dbraw/zinc/05/79/79/924057979.db2.gz OLAMKHLKAORIJB-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001392629834 924057991 /nfs/dbraw/zinc/05/79/91/924057991.db2.gz OLAMKHLKAORIJB-VIFPVBQESA-N 1 1 314.342 -1.233 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001392627626 924058055 /nfs/dbraw/zinc/05/80/55/924058055.db2.gz HJVSLXJWRMTOOZ-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392638280 924058478 /nfs/dbraw/zinc/05/84/78/924058478.db2.gz BNUSWXWCSUVCEU-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392638280 924058488 /nfs/dbraw/zinc/05/84/88/924058488.db2.gz BNUSWXWCSUVCEU-BDAKNGLRSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392638294 924059041 /nfs/dbraw/zinc/05/90/41/924059041.db2.gz BNUSWXWCSUVCEU-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[C@@H]1COC(=O)C1 ZINC001392638294 924059052 /nfs/dbraw/zinc/05/90/52/924059052.db2.gz BNUSWXWCSUVCEU-IUCAKERBSA-N 1 1 314.342 -1.429 20 0 DAADMO COC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392641734 924059836 /nfs/dbraw/zinc/05/98/36/924059836.db2.gz IEPZGCJFRNHOGG-ZJUUUORDSA-N 1 1 312.374 -1.152 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001392627627 924060047 /nfs/dbraw/zinc/06/00/47/924060047.db2.gz HJVSLXJWRMTOOZ-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648607 924060914 /nfs/dbraw/zinc/06/09/14/924060914.db2.gz UWISWMMBYCTKIB-IUCAKERBSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001392648607 924060926 /nfs/dbraw/zinc/06/09/26/924060926.db2.gz UWISWMMBYCTKIB-IUCAKERBSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001392659892 924061505 /nfs/dbraw/zinc/06/15/05/924061505.db2.gz SHBVAPIHUGZEAY-SNVBAGLBSA-N 1 1 310.420 -1.847 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001392657870 924062219 /nfs/dbraw/zinc/06/22/19/924062219.db2.gz MDVASCVCVJJDPQ-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001392657870 924062230 /nfs/dbraw/zinc/06/22/30/924062230.db2.gz MDVASCVCVJJDPQ-DTWKUNHWSA-N 1 1 308.404 -1.812 20 0 DAADMO Cc1nn(C)cc1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392658514 924062566 /nfs/dbraw/zinc/06/25/66/924062566.db2.gz BSVRAZHHGXWOOX-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1nn(C)cc1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392658514 924062576 /nfs/dbraw/zinc/06/25/76/924062576.db2.gz BSVRAZHHGXWOOX-SECBINFHSA-N 1 1 324.385 -1.098 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001392654280 924063599 /nfs/dbraw/zinc/06/35/99/924063599.db2.gz AQFASVHGNJPMLX-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001392654280 924063613 /nfs/dbraw/zinc/06/36/13/924063613.db2.gz AQFASVHGNJPMLX-IUCAKERBSA-N 1 1 308.404 -1.764 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001392655161 924063637 /nfs/dbraw/zinc/06/36/37/924063637.db2.gz DOEWYIQIVCXBCL-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001392655161 924063650 /nfs/dbraw/zinc/06/36/50/924063650.db2.gz DOEWYIQIVCXBCL-QWRGUYRKSA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1nn(C)cc1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001392658515 924063763 /nfs/dbraw/zinc/06/37/63/924063763.db2.gz BSVRAZHHGXWOOX-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1nn(C)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001392658515 924063776 /nfs/dbraw/zinc/06/37/76/924063776.db2.gz BSVRAZHHGXWOOX-VIFPVBQESA-N 1 1 324.385 -1.098 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CCNC(=O)C1 ZINC001392674394 924064719 /nfs/dbraw/zinc/06/47/19/924064719.db2.gz DZARHIUMRQAGKA-ZDUSSCGKSA-N 1 1 322.413 -1.249 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1cncn1C ZINC001392673608 924065071 /nfs/dbraw/zinc/06/50/71/924065071.db2.gz MWLYRKPIUFITLF-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1cncn1C ZINC001392673608 924065091 /nfs/dbraw/zinc/06/50/91/924065091.db2.gz MWLYRKPIUFITLF-VIFPVBQESA-N 1 1 310.358 -1.074 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001392678461 924065116 /nfs/dbraw/zinc/06/51/16/924065116.db2.gz IRNAQVFSGAFQJS-SFYZADRCSA-N 1 1 309.392 -2.650 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001392678461 924065132 /nfs/dbraw/zinc/06/51/32/924065132.db2.gz IRNAQVFSGAFQJS-SFYZADRCSA-N 1 1 309.392 -2.650 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001392690713 924065672 /nfs/dbraw/zinc/06/56/72/924065672.db2.gz QESPYRDDMGFUPF-VHSXEESVSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001392691776 924065960 /nfs/dbraw/zinc/06/59/60/924065960.db2.gz LUKCGXFWNPRCGA-QMMMGPOBSA-N 1 1 305.356 -1.031 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccnnc1 ZINC001392688518 924066225 /nfs/dbraw/zinc/06/62/25/924066225.db2.gz KAVZSPPEPMOYLU-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccnnc1 ZINC001392688518 924066232 /nfs/dbraw/zinc/06/62/32/924066232.db2.gz KAVZSPPEPMOYLU-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001392704306 924070031 /nfs/dbraw/zinc/07/00/31/924070031.db2.gz VFIFTCXSJKNXNZ-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001392704306 924070040 /nfs/dbraw/zinc/07/00/40/924070040.db2.gz VFIFTCXSJKNXNZ-MRVPVSSYSA-N 1 1 306.326 -1.030 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001392712319 924070625 /nfs/dbraw/zinc/07/06/25/924070625.db2.gz AQCAUMJQINAOHI-CMPLNLGQSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725745 924071682 /nfs/dbraw/zinc/07/16/82/924071682.db2.gz ISRBNMPJAVYVMO-PSASIEDQSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)c1cn(CC(N)=O)nn1 ZINC001392725745 924071697 /nfs/dbraw/zinc/07/16/97/924071697.db2.gz ISRBNMPJAVYVMO-PSASIEDQSA-N 1 1 323.357 -2.298 20 0 DAADMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)Cn1cncn1 ZINC001392716514 924072461 /nfs/dbraw/zinc/07/24/61/924072461.db2.gz CRKUKLGOPUBTFL-QWHCGFSZSA-N 1 1 321.385 -1.028 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392728029 924072741 /nfs/dbraw/zinc/07/27/41/924072741.db2.gz FGEZAKPZGMEDSP-UWVGGRQHSA-N 1 1 322.369 -1.376 20 0 DAADMO C[C@@H](CNC(=O)c1nccnc1N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392728029 924072753 /nfs/dbraw/zinc/07/27/53/924072753.db2.gz FGEZAKPZGMEDSP-UWVGGRQHSA-N 1 1 322.369 -1.376 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCC1 ZINC001392732310 924073254 /nfs/dbraw/zinc/07/32/54/924073254.db2.gz IPSAEUYALMTTPC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCC1 ZINC001392732310 924073267 /nfs/dbraw/zinc/07/32/67/924073267.db2.gz IPSAEUYALMTTPC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO Cn1cnc(C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)n1 ZINC001392770151 924076217 /nfs/dbraw/zinc/07/62/17/924076217.db2.gz DEKPHZKBVISECH-SECBINFHSA-N 1 1 305.346 -1.363 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001392777104 924076254 /nfs/dbraw/zinc/07/62/54/924076254.db2.gz RVFNFHCHQPGYQK-IUCAKERBSA-N 1 1 309.330 -1.697 20 0 DAADMO Cn1cnc(C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)n1 ZINC001392770154 924078302 /nfs/dbraw/zinc/07/83/02/924078302.db2.gz DEKPHZKBVISECH-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001392800951 924079830 /nfs/dbraw/zinc/07/98/30/924079830.db2.gz VTXMEDHXWVRYQC-VXGBXAGGSA-N 1 1 321.385 -1.036 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCN1[C@H](C)C(=O)NC(N)=O ZINC001392835218 924082468 /nfs/dbraw/zinc/08/24/68/924082468.db2.gz GBLNWBXUIOXFRS-MNOVXSKESA-N 1 1 322.369 -1.035 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001392837472 924082903 /nfs/dbraw/zinc/08/29/03/924082903.db2.gz IOQVSBAYRYKEEM-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001392837472 924082912 /nfs/dbraw/zinc/08/29/12/924082912.db2.gz IOQVSBAYRYKEEM-VXGBXAGGSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001392835311 924083728 /nfs/dbraw/zinc/08/37/28/924083728.db2.gz NNYBPSREEMXCKI-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001392854262 924084999 /nfs/dbraw/zinc/08/49/99/924084999.db2.gz MDTJGKBSOZWEAA-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001392842544 924085262 /nfs/dbraw/zinc/08/52/62/924085262.db2.gz QFGSYYUOULSDIV-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392857603 924085471 /nfs/dbraw/zinc/08/54/71/924085471.db2.gz YOSUMKDTRVHOPY-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392857605 924085903 /nfs/dbraw/zinc/08/59/03/924085903.db2.gz YOSUMKDTRVHOPY-GUBZILKMSA-N 1 1 314.342 -2.218 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001392856050 924086271 /nfs/dbraw/zinc/08/62/71/924086271.db2.gz XKPLGLDPWBJVSX-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CNC(=O)c2ncn(C)n2)C1 ZINC001392856050 924086283 /nfs/dbraw/zinc/08/62/83/924086283.db2.gz XKPLGLDPWBJVSX-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001392863010 924090767 /nfs/dbraw/zinc/09/07/67/924090767.db2.gz DWTFXMRCBMERAD-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001392880501 924093326 /nfs/dbraw/zinc/09/33/26/924093326.db2.gz RSLKCKXDSNUCGQ-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001392902358 924094546 /nfs/dbraw/zinc/09/45/46/924094546.db2.gz HIMCCQIEMHWEJJ-SECBINFHSA-N 1 1 324.385 -1.239 20 0 DAADMO CNC(=O)NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001392946983 924098511 /nfs/dbraw/zinc/09/85/11/924098511.db2.gz GTTFWACFFAVIDI-UHFFFAOYSA-N 1 1 323.397 -1.224 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001392972272 924101121 /nfs/dbraw/zinc/10/11/21/924101121.db2.gz QEYSSBGZLBXRON-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncnn1 ZINC001392972272 924101127 /nfs/dbraw/zinc/10/11/27/924101127.db2.gz QEYSSBGZLBXRON-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957645 924102093 /nfs/dbraw/zinc/10/20/93/924102093.db2.gz XFXLNOIBCMRTTG-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001392957645 924102102 /nfs/dbraw/zinc/10/21/02/924102102.db2.gz XFXLNOIBCMRTTG-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001392951765 924102223 /nfs/dbraw/zinc/10/22/23/924102223.db2.gz UEXYEGLMLMZUQY-LLVKDONJSA-N 1 1 319.369 -1.157 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC001392988405 924104542 /nfs/dbraw/zinc/10/45/42/924104542.db2.gz VMTABIZALNYQFD-QMTHXVAHSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001393010051 924107767 /nfs/dbraw/zinc/10/77/67/924107767.db2.gz ITGRURCZPKJBPK-WCQYABFASA-N 1 1 323.397 -1.102 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@H]1C ZINC001393036311 924110910 /nfs/dbraw/zinc/11/09/10/924110910.db2.gz MBUBQXBPDPIKMM-NXEZZACHSA-N 1 1 324.389 -1.392 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)C[C@@H]1C ZINC001393036320 924112488 /nfs/dbraw/zinc/11/24/88/924112488.db2.gz MBUBQXBPDPIKMM-VHSXEESVSA-N 1 1 324.389 -1.392 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393104006 924115550 /nfs/dbraw/zinc/11/55/50/924115550.db2.gz AUOAESBVICOVBD-CYBMUJFWSA-N 1 1 300.359 -1.795 20 0 DAADMO COCC(=O)NCCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393104006 924115555 /nfs/dbraw/zinc/11/55/55/924115555.db2.gz AUOAESBVICOVBD-CYBMUJFWSA-N 1 1 300.359 -1.795 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001393102446 924116303 /nfs/dbraw/zinc/11/63/03/924116303.db2.gz KYSBMJHIPNXMMQ-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001393109739 924116831 /nfs/dbraw/zinc/11/68/31/924116831.db2.gz IYGSTMKEVYUSMJ-VHSXEESVSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001393109739 924116838 /nfs/dbraw/zinc/11/68/38/924116838.db2.gz IYGSTMKEVYUSMJ-VHSXEESVSA-N 1 1 310.358 -1.701 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001393105505 924116957 /nfs/dbraw/zinc/11/69/57/924116957.db2.gz RWRFVCDKWKOTOT-DGCLKSJQSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)C2CS(=O)(=O)C2)C1 ZINC001393105505 924116965 /nfs/dbraw/zinc/11/69/65/924116965.db2.gz RWRFVCDKWKOTOT-DGCLKSJQSA-N 1 1 320.411 -1.381 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001393107679 924117144 /nfs/dbraw/zinc/11/71/44/924117144.db2.gz ZZDFNYNRSGPJEK-MFKMUULPSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCNS(C)(=O)=O)C1 ZINC001393101484 924117369 /nfs/dbraw/zinc/11/73/69/924117369.db2.gz HIANSKPQJZJADC-ZYHUDNBSSA-N 1 1 307.416 -1.113 20 0 DAADMO CCC(=O)NCC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001393096046 924117655 /nfs/dbraw/zinc/11/76/55/924117655.db2.gz RNCWLIKHTBWVOK-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001393098551 924117578 /nfs/dbraw/zinc/11/75/78/924117578.db2.gz SFBQXACGDIITSH-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)CCn3cnnn3)C2)C1=O ZINC001393117882 924119113 /nfs/dbraw/zinc/11/91/13/924119113.db2.gz BQYDRIKZCVALKJ-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393118810 924119310 /nfs/dbraw/zinc/11/93/10/924119310.db2.gz FBVPPECBHCDKOG-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001393118810 924119324 /nfs/dbraw/zinc/11/93/24/924119324.db2.gz FBVPPECBHCDKOG-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO C[C@]1(NC(=O)CN2CCOCC2=O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393115121 924119370 /nfs/dbraw/zinc/11/93/70/924119370.db2.gz YHBLSKVXTRPBRK-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@]1(NC(=O)CN2CCOCC2=O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393115121 924119378 /nfs/dbraw/zinc/11/93/78/924119378.db2.gz YHBLSKVXTRPBRK-NHYWBVRUSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001393117090 924119615 /nfs/dbraw/zinc/11/96/15/924119615.db2.gz VSTUQYXKTHJOAH-NSHDSACASA-N 1 1 321.403 -2.633 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001393117090 924119626 /nfs/dbraw/zinc/11/96/26/924119626.db2.gz VSTUQYXKTHJOAH-NSHDSACASA-N 1 1 321.403 -2.633 20 0 DAADMO C[C@@]1(NC(=O)CN2CCOCC2=O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001393115114 924119649 /nfs/dbraw/zinc/11/96/49/924119649.db2.gz YHBLSKVXTRPBRK-IAQYHMDHSA-N 1 1 324.381 -1.686 20 0 DAADMO C[C@@]1(NC(=O)CN2CCOCC2=O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001393115114 924119656 /nfs/dbraw/zinc/11/96/56/924119656.db2.gz YHBLSKVXTRPBRK-IAQYHMDHSA-N 1 1 324.381 -1.686 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)CCn3cnnn3)C2)C1=O ZINC001393117875 924119988 /nfs/dbraw/zinc/11/99/88/924119988.db2.gz BQYDRIKZCVALKJ-BXUZGUMPSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CCOCC1)NC1CC1 ZINC001393216850 924123219 /nfs/dbraw/zinc/12/32/19/924123219.db2.gz BLFPHYHYSUDNDM-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CCOCC1)NC1CC1 ZINC001393216850 924123227 /nfs/dbraw/zinc/12/32/27/924123227.db2.gz BLFPHYHYSUDNDM-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n(C)n1 ZINC001393234746 924125233 /nfs/dbraw/zinc/12/52/33/924125233.db2.gz KIHRFQYPKJJXMX-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n(C)n1 ZINC001393234746 924125240 /nfs/dbraw/zinc/12/52/40/924125240.db2.gz KIHRFQYPKJJXMX-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)OC)C1 ZINC001393237422 924125326 /nfs/dbraw/zinc/12/53/26/924125326.db2.gz OSIRUXFRYJELQQ-NOZJJQNGSA-N 1 1 316.358 -1.970 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)OC)C1 ZINC001393237422 924125334 /nfs/dbraw/zinc/12/53/34/924125334.db2.gz OSIRUXFRYJELQQ-NOZJJQNGSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n(C)n1 ZINC001393234752 924125523 /nfs/dbraw/zinc/12/55/23/924125523.db2.gz KIHRFQYPKJJXMX-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n(C)n1 ZINC001393234752 924125532 /nfs/dbraw/zinc/12/55/32/924125532.db2.gz KIHRFQYPKJJXMX-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393233950 924125714 /nfs/dbraw/zinc/12/57/14/924125714.db2.gz JMAVNQIQDVJPPR-HIFRSBDPSA-N 1 1 324.381 -1.112 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001393233950 924125726 /nfs/dbraw/zinc/12/57/26/924125726.db2.gz JMAVNQIQDVJPPR-HIFRSBDPSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001393236243 924125847 /nfs/dbraw/zinc/12/58/47/924125847.db2.gz CXSPUHWEEKTTPI-OCCSQVGLSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(C[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001393232193 924126401 /nfs/dbraw/zinc/12/64/01/924126401.db2.gz DOFKTQFYXUHFBC-OAHLLOKOSA-N 1 1 324.381 -2.092 20 0 DAADMO O=C(C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001393232193 924126406 /nfs/dbraw/zinc/12/64/06/924126406.db2.gz DOFKTQFYXUHFBC-OAHLLOKOSA-N 1 1 324.381 -2.092 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001393231710 924127112 /nfs/dbraw/zinc/12/71/12/924127112.db2.gz GQNROHDJFDQUPV-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1)NC1CC1 ZINC001393235872 924127345 /nfs/dbraw/zinc/12/73/45/924127345.db2.gz HAWOFMGESFWTLZ-ABAIWWIYSA-N 1 1 311.382 -1.146 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCOC2)C1)NC1CC1 ZINC001393235872 924127355 /nfs/dbraw/zinc/12/73/55/924127355.db2.gz HAWOFMGESFWTLZ-ABAIWWIYSA-N 1 1 311.382 -1.146 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001393243049 924128570 /nfs/dbraw/zinc/12/85/70/924128570.db2.gz WZNGMUJXNCMRNT-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001393243049 924128580 /nfs/dbraw/zinc/12/85/80/924128580.db2.gz WZNGMUJXNCMRNT-YGRLFVJLSA-N 1 1 309.370 -1.231 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001393243783 924128759 /nfs/dbraw/zinc/12/87/59/924128759.db2.gz SMRSFRGHKMNODP-NNRVYMOVSA-N 1 1 300.750 -1.021 20 0 DAADMO CS[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393238556 924128816 /nfs/dbraw/zinc/12/88/16/924128816.db2.gz RPRYFHWYFGHYNX-PELKAZGASA-N 1 1 318.399 -1.514 20 0 DAADMO CS[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393238556 924128822 /nfs/dbraw/zinc/12/88/22/924128822.db2.gz RPRYFHWYFGHYNX-PELKAZGASA-N 1 1 318.399 -1.514 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)COC(C)C)C1 ZINC001393241612 924128841 /nfs/dbraw/zinc/12/88/41/924128841.db2.gz XBPFOCOIKZVTIB-GXTWGEPZSA-N 1 1 304.387 -1.028 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001393239593 924129092 /nfs/dbraw/zinc/12/90/92/924129092.db2.gz SOTRXDMXRZJILU-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001393239593 924129103 /nfs/dbraw/zinc/12/91/03/924129103.db2.gz SOTRXDMXRZJILU-CYBMUJFWSA-N 1 1 310.358 -2.033 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001393238748 924129863 /nfs/dbraw/zinc/12/98/63/924129863.db2.gz NUBGLGBXSYGYAC-LBPRGKRZSA-N 1 1 305.400 -1.501 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@](O)(CNC(=O)C2CC2)C1 ZINC001393238748 924129872 /nfs/dbraw/zinc/12/98/72/924129872.db2.gz NUBGLGBXSYGYAC-LBPRGKRZSA-N 1 1 305.400 -1.501 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001393240098 924130216 /nfs/dbraw/zinc/13/02/16/924130216.db2.gz KQEACUUITQHBQT-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001393240098 924130227 /nfs/dbraw/zinc/13/02/27/924130227.db2.gz KQEACUUITQHBQT-CQSZACIVSA-N 1 1 319.369 -1.235 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393240406 924131124 /nfs/dbraw/zinc/13/11/24/924131124.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 1 1 314.386 -2.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001393240406 924131128 /nfs/dbraw/zinc/13/11/28/924131128.db2.gz HCVGHVCDGSTEEG-RISCZKNCSA-N 1 1 314.386 -2.384 20 0 DAADMO O=C(Cn1cnnn1)NC[C@]1(O)CC[N@@H+](CCOC2CCC2)C1 ZINC001393242645 924131358 /nfs/dbraw/zinc/13/13/58/924131358.db2.gz PDKICZPSRGQSBP-CQSZACIVSA-N 1 1 324.385 -1.205 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244163 924131372 /nfs/dbraw/zinc/13/13/72/924131372.db2.gz PRDIEDKVVGKGRC-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cccc(=O)[nH]1 ZINC001393244163 924131376 /nfs/dbraw/zinc/13/13/76/924131376.db2.gz PRDIEDKVVGKGRC-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001393248770 924132588 /nfs/dbraw/zinc/13/25/88/924132588.db2.gz FZVATQJZVVESKY-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001393248770 924132598 /nfs/dbraw/zinc/13/25/98/924132598.db2.gz FZVATQJZVVESKY-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393247512 924133038 /nfs/dbraw/zinc/13/30/38/924133038.db2.gz CVHVZDDFMGTBHQ-GFCCVEGCSA-N 1 1 323.390 -1.456 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393247512 924133042 /nfs/dbraw/zinc/13/30/42/924133042.db2.gz CVHVZDDFMGTBHQ-GFCCVEGCSA-N 1 1 323.390 -1.456 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3ncc[nH]3)C2)C1=O ZINC001393247676 924133391 /nfs/dbraw/zinc/13/33/91/924133391.db2.gz DNNLDLZCZVXEDC-HZMBPMFUSA-N 1 1 307.354 -1.193 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001393248486 924134331 /nfs/dbraw/zinc/13/43/31/924134331.db2.gz GZUCUGLFYVWHHZ-XPTSAGLGSA-N 1 1 323.353 -1.521 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001393248486 924134340 /nfs/dbraw/zinc/13/43/40/924134340.db2.gz GZUCUGLFYVWHHZ-XPTSAGLGSA-N 1 1 323.353 -1.521 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393245840 924134505 /nfs/dbraw/zinc/13/45/05/924134505.db2.gz ACNKCUXOMCBGJT-BXUZGUMPSA-N 1 1 323.353 -1.419 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001393245840 924134509 /nfs/dbraw/zinc/13/45/09/924134509.db2.gz ACNKCUXOMCBGJT-BXUZGUMPSA-N 1 1 323.353 -1.419 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393248292 924134616 /nfs/dbraw/zinc/13/46/16/924134616.db2.gz HYRZNQQODDQBFI-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001393248292 924134622 /nfs/dbraw/zinc/13/46/22/924134622.db2.gz HYRZNQQODDQBFI-GFCCVEGCSA-N 1 1 311.346 -2.638 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393247353 924134639 /nfs/dbraw/zinc/13/46/39/924134639.db2.gz BOWIKOYERHQIDR-QMTHXVAHSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001393247353 924134641 /nfs/dbraw/zinc/13/46/41/924134641.db2.gz BOWIKOYERHQIDR-QMTHXVAHSA-N 1 1 322.369 -1.788 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393248300 924134698 /nfs/dbraw/zinc/13/46/98/924134698.db2.gz IBBMVCHAWALOHE-GFCCVEGCSA-N 1 1 323.415 -2.139 20 0 DAADMO C[C@H](O)CCC[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001393255627 924135986 /nfs/dbraw/zinc/13/59/86/924135986.db2.gz MCMUWVNCUSLXTA-GXFFZTMASA-N 1 1 312.374 -1.462 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)cc1=O ZINC001393251492 924136127 /nfs/dbraw/zinc/13/61/27/924136127.db2.gz XBOYFTHVIYTKHT-HNNXBMFYSA-N 1 1 309.366 -1.066 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001393254767 924136347 /nfs/dbraw/zinc/13/63/47/924136347.db2.gz PUHKKZWVOJMGIQ-CQSZACIVSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001393254767 924136358 /nfs/dbraw/zinc/13/63/58/924136358.db2.gz PUHKKZWVOJMGIQ-CQSZACIVSA-N 1 1 323.353 -1.613 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001393253839 924136576 /nfs/dbraw/zinc/13/65/76/924136576.db2.gz GQTAJDBNRCWDPG-CYBMUJFWSA-N 1 1 318.349 -1.255 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001393253839 924136583 /nfs/dbraw/zinc/13/65/83/924136583.db2.gz GQTAJDBNRCWDPG-CYBMUJFWSA-N 1 1 318.349 -1.255 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)c1 ZINC001393254765 924136912 /nfs/dbraw/zinc/13/69/12/924136912.db2.gz PUHKKZWVOJMGIQ-AWEZNQCLSA-N 1 1 323.353 -1.613 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)c1 ZINC001393254765 924136918 /nfs/dbraw/zinc/13/69/18/924136918.db2.gz PUHKKZWVOJMGIQ-AWEZNQCLSA-N 1 1 323.353 -1.613 20 0 DAADMO CC1(CC(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001393255578 924137559 /nfs/dbraw/zinc/13/75/59/924137559.db2.gz IIPARDWJHITGEV-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO CC1(CC(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC001393255578 924137563 /nfs/dbraw/zinc/13/75/63/924137563.db2.gz IIPARDWJHITGEV-CQSZACIVSA-N 1 1 312.370 -1.076 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 ZINC001393255430 924138327 /nfs/dbraw/zinc/13/83/27/924138327.db2.gz RLUCMTCIMIKXAM-WFASDCNBSA-N 1 1 316.398 -1.148 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)cc1=O ZINC001393251495 924138489 /nfs/dbraw/zinc/13/84/89/924138489.db2.gz XBOYFTHVIYTKHT-OAHLLOKOSA-N 1 1 309.366 -1.066 20 0 DAADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H](C)O)C2)nn1C ZINC001393261259 924140129 /nfs/dbraw/zinc/14/01/29/924140129.db2.gz NKJRJXFZOAYJIE-YGRLFVJLSA-N 1 1 312.370 -1.024 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393259501 924140531 /nfs/dbraw/zinc/14/05/31/924140531.db2.gz YGYFLXHOANDTNR-CMPLNLGQSA-N 1 1 323.415 -2.188 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393255826 924141126 /nfs/dbraw/zinc/14/11/26/924141126.db2.gz QRLXDPMAFJBMIU-IINYFYTJSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001393255826 924141130 /nfs/dbraw/zinc/14/11/30/924141130.db2.gz QRLXDPMAFJBMIU-IINYFYTJSA-N 1 1 312.370 -2.236 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257534 924141520 /nfs/dbraw/zinc/14/15/20/924141520.db2.gz VXWDABXBCZLOEL-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001393257534 924141528 /nfs/dbraw/zinc/14/15/28/924141528.db2.gz VXWDABXBCZLOEL-YGRLFVJLSA-N 1 1 309.370 -1.279 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001393255761 924141671 /nfs/dbraw/zinc/14/16/71/924141671.db2.gz DDKKUSDUTBVYPC-YPMHNXCESA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001393255761 924141680 /nfs/dbraw/zinc/14/16/80/924141680.db2.gz DDKKUSDUTBVYPC-YPMHNXCESA-N 1 1 320.411 -1.644 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)co1 ZINC001393261827 924141740 /nfs/dbraw/zinc/14/17/40/924141740.db2.gz UODNJQLXEOZWEQ-AWEZNQCLSA-N 1 1 311.338 -1.073 20 0 DAADMO CC(C)(O)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001393259949 924141783 /nfs/dbraw/zinc/14/17/83/924141783.db2.gz YCLPNJAVZQNFED-CQSZACIVSA-N 1 1 311.386 -1.008 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001393272867 924144000 /nfs/dbraw/zinc/14/40/00/924144000.db2.gz BXYCIKRIXHLUAD-GWCFXTLKSA-N 1 1 310.358 -1.754 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393270803 924144476 /nfs/dbraw/zinc/14/44/76/924144476.db2.gz HJZJYUQJPTVRSL-RISCZKNCSA-N 1 1 309.370 -1.231 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001393268130 924144822 /nfs/dbraw/zinc/14/48/22/924144822.db2.gz JODCXXGIPBXOME-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001393268130 924144828 /nfs/dbraw/zinc/14/48/28/924144828.db2.gz JODCXXGIPBXOME-OTYXRUKQSA-N 1 1 323.353 -1.474 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393270798 924145305 /nfs/dbraw/zinc/14/53/05/924145305.db2.gz HJZJYUQJPTVRSL-FZMZJTMJSA-N 1 1 309.370 -1.231 20 0 DAADMO CC[C@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001393265371 924145626 /nfs/dbraw/zinc/14/56/26/924145626.db2.gz SLGCZJBIQFXLCL-QPUJVOFHSA-N 1 1 304.322 -1.518 20 0 DAADMO CC[C@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001393265371 924145630 /nfs/dbraw/zinc/14/56/30/924145630.db2.gz SLGCZJBIQFXLCL-QPUJVOFHSA-N 1 1 304.322 -1.518 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393276179 924147034 /nfs/dbraw/zinc/14/70/34/924147034.db2.gz LFSKNHCNAJDCCZ-CYBMUJFWSA-N 1 1 315.374 -2.314 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001393276179 924147042 /nfs/dbraw/zinc/14/70/42/924147042.db2.gz LFSKNHCNAJDCCZ-CYBMUJFWSA-N 1 1 315.374 -2.314 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cncn2)C1 ZINC001393274814 924147164 /nfs/dbraw/zinc/14/71/64/924147164.db2.gz YRUDPSXOFXBXOS-GXTWGEPZSA-N 1 1 311.386 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393276363 924147652 /nfs/dbraw/zinc/14/76/52/924147652.db2.gz MULDACVDFPGUCS-GWCFXTLKSA-N 1 1 310.358 -2.034 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393276231 924147709 /nfs/dbraw/zinc/14/77/09/924147709.db2.gz MFTKEFDMXCDEOG-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO CN(C)c1ncccc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393276231 924147714 /nfs/dbraw/zinc/14/77/14/924147714.db2.gz MFTKEFDMXCDEOG-HNNXBMFYSA-N 1 1 321.381 -1.201 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001393275345 924148907 /nfs/dbraw/zinc/14/89/07/924148907.db2.gz MGPGCCLNRLPOJY-CQSZACIVSA-N 1 1 320.353 -1.478 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc(C)n2)C1 ZINC001393278830 924149175 /nfs/dbraw/zinc/14/91/75/924149175.db2.gz GWRLTCLTJZPSLG-WFASDCNBSA-N 1 1 324.381 -1.041 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393282495 924151564 /nfs/dbraw/zinc/15/15/64/924151564.db2.gz ZGYPFYTYPSIVGN-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001393282495 924151575 /nfs/dbraw/zinc/15/15/75/924151575.db2.gz ZGYPFYTYPSIVGN-CQSZACIVSA-N 1 1 309.370 -1.407 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001393283296 924151931 /nfs/dbraw/zinc/15/19/31/924151931.db2.gz QJKZWFBKPWZKTI-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393281493 924151962 /nfs/dbraw/zinc/15/19/62/924151962.db2.gz YRUUFUSGQLFSCQ-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001393281493 924151968 /nfs/dbraw/zinc/15/19/68/924151968.db2.gz YRUUFUSGQLFSCQ-CQSZACIVSA-N 1 1 324.385 -1.691 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001393281132 924152610 /nfs/dbraw/zinc/15/26/10/924152610.db2.gz WBVZCJZPAYMVPP-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001393281132 924152633 /nfs/dbraw/zinc/15/26/33/924152633.db2.gz WBVZCJZPAYMVPP-SMDDNHRTSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001393280149 924152825 /nfs/dbraw/zinc/15/28/25/924152825.db2.gz JQMSQGJBUSXOMK-WCQYABFASA-N 1 1 322.427 -1.134 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001393280149 924152839 /nfs/dbraw/zinc/15/28/39/924152839.db2.gz JQMSQGJBUSXOMK-WCQYABFASA-N 1 1 322.427 -1.134 20 0 DAADMO CNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282053 924152893 /nfs/dbraw/zinc/15/28/93/924152893.db2.gz WIMYVDVIGWCXLI-RISCZKNCSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1nc(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H](C)O)C2)ccc1=O ZINC001393280673 924153187 /nfs/dbraw/zinc/15/31/87/924153187.db2.gz QWSLKURUJSZVGK-ABAIWWIYSA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@@H](Oc1cccnc1)C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001393279479 924153458 /nfs/dbraw/zinc/15/34/58/924153458.db2.gz SMCLECOVXFYAAX-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO C[C@@H](Oc1cccnc1)C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001393279479 924153469 /nfs/dbraw/zinc/15/34/69/924153469.db2.gz SMCLECOVXFYAAX-IAQYHMDHSA-N 1 1 322.365 -1.113 20 0 DAADMO CNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001393282062 924153745 /nfs/dbraw/zinc/15/37/45/924153745.db2.gz WIMYVDVIGWCXLI-SMDDNHRTSA-N 1 1 300.403 -1.374 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001393283599 924155967 /nfs/dbraw/zinc/15/59/67/924155967.db2.gz RIYCIIWTFYGLPR-PWSUYJOCSA-N 1 1 323.415 -1.877 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC)C2)cn1 ZINC001393285639 924156020 /nfs/dbraw/zinc/15/60/20/924156020.db2.gz QJYPSJWRWQYBTO-HNNXBMFYSA-N 1 1 323.397 -1.256 20 0 DAADMO CCn1cc(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC)C2)cn1 ZINC001393285639 924156029 /nfs/dbraw/zinc/15/60/29/924156029.db2.gz QJYPSJWRWQYBTO-HNNXBMFYSA-N 1 1 323.397 -1.256 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290084 924158942 /nfs/dbraw/zinc/15/89/42/924158942.db2.gz HWDVIEYAPJEORD-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)Cc2cc[nH]n2)C1 ZINC001393290084 924158953 /nfs/dbraw/zinc/15/89/53/924158953.db2.gz HWDVIEYAPJEORD-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001393296395 924160785 /nfs/dbraw/zinc/16/07/85/924160785.db2.gz WRXVEBBJNNIWGF-HNNXBMFYSA-N 1 1 322.365 -1.007 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001393296292 924160939 /nfs/dbraw/zinc/16/09/39/924160939.db2.gz VPSOTUJIDJZVLS-CQSZACIVSA-N 1 1 323.353 -1.223 20 0 DAADMO Cc1nonc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001393296292 924160950 /nfs/dbraw/zinc/16/09/50/924160950.db2.gz VPSOTUJIDJZVLS-CQSZACIVSA-N 1 1 323.353 -1.223 20 0 DAADMO CCN1CC[C@H](N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001393304709 924163282 /nfs/dbraw/zinc/16/32/82/924163282.db2.gz QTAAEMPQTHWESA-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001393312876 924168225 /nfs/dbraw/zinc/16/82/25/924168225.db2.gz AMDCOFFFXNZHMG-DGCLKSJQSA-N 1 1 322.369 -1.737 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001393312885 924168794 /nfs/dbraw/zinc/16/87/94/924168794.db2.gz AMDCOFFFXNZHMG-YPMHNXCESA-N 1 1 322.369 -1.737 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001393313499 924168806 /nfs/dbraw/zinc/16/88/06/924168806.db2.gz CYUTUGUPFLZZIC-GFCCVEGCSA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001393316643 924170758 /nfs/dbraw/zinc/17/07/58/924170758.db2.gz MPEGIAALPDSDOH-NEPJUHHUSA-N 1 1 312.414 -1.104 20 0 DAADMO O=C(Cn1ncnn1)NCC1(O)C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001393317422 924171457 /nfs/dbraw/zinc/17/14/57/924171457.db2.gz OSPNDXZSFAMFKM-LBPRGKRZSA-N 1 1 324.385 -1.205 20 0 DAADMO CNC(=O)NCC(=O)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001393317450 924171634 /nfs/dbraw/zinc/17/16/34/924171634.db2.gz SLUZQIXNSMQHNZ-LLVKDONJSA-N 1 1 314.386 -1.495 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001393316656 924172148 /nfs/dbraw/zinc/17/21/48/924172148.db2.gz MPEGIAALPDSDOH-VXGBXAGGSA-N 1 1 312.414 -1.104 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2nnnn2C)C1 ZINC001393325984 924177061 /nfs/dbraw/zinc/17/70/61/924177061.db2.gz JSZBPIZZECHMSN-UHFFFAOYSA-N 1 1 320.357 -1.922 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334942 924180964 /nfs/dbraw/zinc/18/09/64/924180964.db2.gz PUNGZSJOMGPMAY-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]2CNC(=O)Cn2ncnn2)C1 ZINC001393334942 924180971 /nfs/dbraw/zinc/18/09/71/924180971.db2.gz PUNGZSJOMGPMAY-QWRGUYRKSA-N 1 1 323.357 -2.279 20 0 DAADMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001393340010 924181645 /nfs/dbraw/zinc/18/16/45/924181645.db2.gz UEVMLZUBXNDSLT-GFCCVEGCSA-N 1 1 312.414 -1.103 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001393342203 924183681 /nfs/dbraw/zinc/18/36/81/924183681.db2.gz UUEXKSTUKXDZHB-TUAOUCFPSA-N 1 1 311.382 -1.303 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001393342204 924184115 /nfs/dbraw/zinc/18/41/15/924184115.db2.gz UUEXKSTUKXDZHB-UTUOFQBUSA-N 1 1 311.382 -1.303 20 0 DAADMO Cc1nn(CC(=O)NCC2(O)C[NH+](CC(C)C)C2)c(=O)n1C ZINC001393357525 924188804 /nfs/dbraw/zinc/18/88/04/924188804.db2.gz RITALSKRYYCAKW-UHFFFAOYSA-N 1 1 311.386 -1.291 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC2(O)C[NH+](CC3CCC3)C2)nn1 ZINC001393356957 924188922 /nfs/dbraw/zinc/18/89/22/924188922.db2.gz HRIVGWOFAYWTST-UHFFFAOYSA-N 1 1 322.369 -1.660 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 ZINC001393400964 924194446 /nfs/dbraw/zinc/19/44/46/924194446.db2.gz AUAOUDLMKPKRCS-TXEJJXNPSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)C[C@H]2C1 ZINC001393418105 924197176 /nfs/dbraw/zinc/19/71/76/924197176.db2.gz JLAVDYGFBAHEPU-KKOKHZNYSA-N 1 1 319.427 -1.305 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427020 924198132 /nfs/dbraw/zinc/19/81/32/924198132.db2.gz KGAYUIVBNLOVGW-GXTWGEPZSA-N 1 1 301.387 -1.748 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001393413089 924198320 /nfs/dbraw/zinc/19/83/20/924198320.db2.gz KCFQGTNXQQKZAH-GRYCIOLGSA-N 1 1 310.358 -1.929 20 0 DAADMO CO[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1)C1CC1 ZINC001393410420 924198578 /nfs/dbraw/zinc/19/85/78/924198578.db2.gz COGAHCYZDIFOQO-NTZNESFSSA-N 1 1 324.381 -1.004 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001393411473 924199186 /nfs/dbraw/zinc/19/91/86/924199186.db2.gz QFRULOQKWOCCSU-TXEJJXNPSA-N 1 1 323.397 -1.462 20 0 DAADMO CNC(=O)NCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393436344 924200309 /nfs/dbraw/zinc/20/03/09/924200309.db2.gz PRWSDKZYHJDFQI-CYBMUJFWSA-N 1 1 302.375 -1.759 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001393444293 924200526 /nfs/dbraw/zinc/20/05/26/924200526.db2.gz BISDEAKLQOKHQJ-HNNXBMFYSA-N 1 1 324.381 -1.490 20 0 DAADMO CC[N@H+]1CCC[C@@](CO)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001393443296 924202880 /nfs/dbraw/zinc/20/28/80/924202880.db2.gz CRBVRNKVYLBIOF-GFCCVEGCSA-N 1 1 322.431 -1.655 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001393427047 924202918 /nfs/dbraw/zinc/20/29/18/924202918.db2.gz KGAYUIVBNLOVGW-TZMCWYRMSA-N 1 1 301.387 -1.748 20 0 DAADMO NS(=O)(=O)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001393455444 924206335 /nfs/dbraw/zinc/20/63/35/924206335.db2.gz TWERIZGSCDQSEZ-GFCCVEGCSA-N 1 1 323.415 -2.010 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001393460692 924208683 /nfs/dbraw/zinc/20/86/83/924208683.db2.gz RTMWEAYZPXINLN-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001393458806 924209603 /nfs/dbraw/zinc/20/96/03/924209603.db2.gz YYMMPSQEOVVRJT-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468126 924212992 /nfs/dbraw/zinc/21/29/92/924212992.db2.gz IWZRYBFSCZIVEI-WCQYABFASA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001393468124 924215157 /nfs/dbraw/zinc/21/51/57/924215157.db2.gz IWZRYBFSCZIVEI-DGCLKSJQSA-N 1 1 323.397 -1.113 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001393571140 924226185 /nfs/dbraw/zinc/22/61/85/924226185.db2.gz LCOJHYJRYNTLRI-NSHDSACASA-N 1 1 310.358 -1.434 20 0 DAADMO CC(=O)NCC(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001393571137 924227084 /nfs/dbraw/zinc/22/70/84/924227084.db2.gz LCOJHYJRYNTLRI-LLVKDONJSA-N 1 1 310.358 -1.434 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCO1 ZINC001393576561 924227928 /nfs/dbraw/zinc/22/79/28/924227928.db2.gz PZCDZWBPKXJRIB-GMTAPVOTSA-N 1 1 307.354 -1.185 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001393615726 924233117 /nfs/dbraw/zinc/23/31/17/924233117.db2.gz CRXXDLJERTWPQN-SNVBAGLBSA-N 1 1 312.374 -1.462 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)c3cnon3)CC2)C1 ZINC001393591303 924233634 /nfs/dbraw/zinc/23/36/34/924233634.db2.gz YPSMOJWDXQOHBA-SNVBAGLBSA-N 1 1 309.326 -1.221 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(NC(=O)c3cnon3)CC2)C1 ZINC001393591303 924233643 /nfs/dbraw/zinc/23/36/43/924233643.db2.gz YPSMOJWDXQOHBA-SNVBAGLBSA-N 1 1 309.326 -1.221 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001393597664 924235034 /nfs/dbraw/zinc/23/50/34/924235034.db2.gz FCVAJKBAPDFZIH-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001393631847 924236036 /nfs/dbraw/zinc/23/60/36/924236036.db2.gz UFVNMXLPYOAUNR-WDEREUQCSA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001393643161 924236635 /nfs/dbraw/zinc/23/66/35/924236635.db2.gz ZJBCASKLZJQYKM-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001393623223 924236678 /nfs/dbraw/zinc/23/66/78/924236678.db2.gz QYHXCWMHNCIPFW-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001393643463 924237230 /nfs/dbraw/zinc/23/72/30/924237230.db2.gz HTSROGNGAJGVHM-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001393643463 924237246 /nfs/dbraw/zinc/23/72/46/924237246.db2.gz HTSROGNGAJGVHM-NSHDSACASA-N 1 1 313.402 -1.087 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001393631837 924237347 /nfs/dbraw/zinc/23/73/47/924237347.db2.gz UFVNMXLPYOAUNR-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001393643162 924237927 /nfs/dbraw/zinc/23/79/27/924237927.db2.gz ZJBCASKLZJQYKM-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001393632893 924238602 /nfs/dbraw/zinc/23/86/02/924238602.db2.gz WNNRKVWZSYRXNO-NSHDSACASA-N 1 1 313.402 -1.928 20 0 DAADMO CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001393701114 924244906 /nfs/dbraw/zinc/24/49/06/924244906.db2.gz HDDLOOQXAPXMBB-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCC[C@@](CO)(NCC(N)=O)C1 ZINC001393701114 924244918 /nfs/dbraw/zinc/24/49/18/924244918.db2.gz HDDLOOQXAPXMBB-CQSZACIVSA-N 1 1 300.403 -1.243 20 0 DAADMO COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001393697584 924245369 /nfs/dbraw/zinc/24/53/69/924245369.db2.gz XQIPQPGYJPYUKN-SMDDNHRTSA-N 1 1 312.370 -1.026 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1)NC1CC1 ZINC001393716134 924248500 /nfs/dbraw/zinc/24/85/00/924248500.db2.gz KZSVVNAOZFKBQN-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1)NC1CC1 ZINC001393716134 924248508 /nfs/dbraw/zinc/24/85/08/924248508.db2.gz KZSVVNAOZFKBQN-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001393743720 924249160 /nfs/dbraw/zinc/24/91/60/924249160.db2.gz GSUFNYOCLHYZLO-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1[NH2+]Cc1nncn1C ZINC001393743724 924251067 /nfs/dbraw/zinc/25/10/67/924251067.db2.gz GSUFNYOCLHYZLO-VHSXEESVSA-N 1 1 309.374 -1.190 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393758207 924251358 /nfs/dbraw/zinc/25/13/58/924251358.db2.gz LXJYQGAJTYQRCY-QWRGUYRKSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CNC(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001393758205 924253012 /nfs/dbraw/zinc/25/30/12/924253012.db2.gz LXJYQGAJTYQRCY-MNOVXSKESA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001393743729 924253294 /nfs/dbraw/zinc/25/32/94/924253294.db2.gz GSUFNYOCLHYZLO-ZJUUUORDSA-N 1 1 309.374 -1.190 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)C1 ZINC001393757806 924253419 /nfs/dbraw/zinc/25/34/19/924253419.db2.gz BIDRTWOQOBKQRO-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001393771933 924254039 /nfs/dbraw/zinc/25/40/39/924254039.db2.gz JSASKJLSKOUMBF-UHFFFAOYSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001393771933 924254054 /nfs/dbraw/zinc/25/40/54/924254054.db2.gz JSASKJLSKOUMBF-UHFFFAOYSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)Cc2ccon2)CC1 ZINC001393839854 924260083 /nfs/dbraw/zinc/26/00/83/924260083.db2.gz NPZNIJYXWSHVPZ-UHFFFAOYSA-N 1 1 310.354 -1.094 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001393842030 924260400 /nfs/dbraw/zinc/26/04/00/924260400.db2.gz GTEOMVUVCZIPBS-SNVBAGLBSA-N 1 1 322.369 -1.442 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnn(C)n1 ZINC001393833040 924260940 /nfs/dbraw/zinc/26/09/40/924260940.db2.gz LDVXEUCFULEOCP-UWVGGRQHSA-N 1 1 324.389 -1.262 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393832979 924261669 /nfs/dbraw/zinc/26/16/69/924261669.db2.gz UVQFVNZUGJWOSC-QMMMGPOBSA-N 1 1 319.387 -1.088 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)CCCC(N)=O)CC1 ZINC001393854215 924263926 /nfs/dbraw/zinc/26/39/26/924263926.db2.gz YYXCBEZGAZDHDY-UHFFFAOYSA-N 1 1 314.386 -1.669 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnon2)CC1 ZINC001393849370 924264040 /nfs/dbraw/zinc/26/40/40/924264040.db2.gz ASAZQOMTRPFSAP-SNVBAGLBSA-N 1 1 311.342 -1.110 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871246 924265361 /nfs/dbraw/zinc/26/53/61/924265361.db2.gz KMHNLAULKHRQBW-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001393871246 924265369 /nfs/dbraw/zinc/26/53/69/924265369.db2.gz KMHNLAULKHRQBW-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CNC(=O)CCn1cccn1)[N@H+](C)CC(=O)NC(N)=O ZINC001394052618 924274413 /nfs/dbraw/zinc/27/44/13/924274413.db2.gz XZKGTTYQGARWNS-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](CNC(=O)CCn1cccn1)[N@@H+](C)CC(=O)NC(N)=O ZINC001394052618 924274424 /nfs/dbraw/zinc/27/44/24/924274424.db2.gz XZKGTTYQGARWNS-JTQLQIEISA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCNC(=O)C1CC1 ZINC001394037505 924274592 /nfs/dbraw/zinc/27/45/92/924274592.db2.gz RICGUMLJIYOUIQ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001394034768 924274660 /nfs/dbraw/zinc/27/46/60/924274660.db2.gz DYKKYHGYXAHGJC-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)Cn1cccn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394039269 924274959 /nfs/dbraw/zinc/27/49/59/924274959.db2.gz VBEJDKIDVHCVCD-ZJUUUORDSA-N 1 1 310.358 -1.097 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001394059543 924275603 /nfs/dbraw/zinc/27/56/03/924275603.db2.gz QCYHBOJCPJCRQZ-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001394059543 924275614 /nfs/dbraw/zinc/27/56/14/924275614.db2.gz QCYHBOJCPJCRQZ-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001394053774 924275670 /nfs/dbraw/zinc/27/56/70/924275670.db2.gz PIBFKVMVYHQEJC-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001394053774 924275681 /nfs/dbraw/zinc/27/56/81/924275681.db2.gz PIBFKVMVYHQEJC-YUMQZZPRSA-N 1 1 315.330 -2.013 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394065219 924277154 /nfs/dbraw/zinc/27/71/54/924277154.db2.gz HAVZYZKFONOEBE-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC001394065216 924278025 /nfs/dbraw/zinc/27/80/25/924278025.db2.gz HAVZYZKFONOEBE-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001394119599 924279514 /nfs/dbraw/zinc/27/95/14/924279514.db2.gz DAQBADWORLSGDC-UWVGGRQHSA-N 1 1 312.374 -1.358 20 0 DAADMO C[C@@H](CNC(=O)COCc1nncn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001394119599 924279525 /nfs/dbraw/zinc/27/95/25/924279525.db2.gz DAQBADWORLSGDC-UWVGGRQHSA-N 1 1 312.374 -1.358 20 0 DAADMO CC(C)[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001394101496 924279931 /nfs/dbraw/zinc/27/99/31/924279931.db2.gz YYFIFQHXGXDMIW-ZJUUUORDSA-N 1 1 305.400 -1.256 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[N@@H+](C)CCN1CCNC1=O ZINC001394102410 924280636 /nfs/dbraw/zinc/28/06/36/924280636.db2.gz LNUXLGRDGGIEEE-NXEZZACHSA-N 1 1 312.374 -1.871 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@H+](C)Cc1ccnn1C ZINC001394098403 924280801 /nfs/dbraw/zinc/28/08/01/924280801.db2.gz JFORDICPHFRSBJ-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)Cc1ccnn1C ZINC001394098403 924280809 /nfs/dbraw/zinc/28/08/09/924280809.db2.gz JFORDICPHFRSBJ-LBPRGKRZSA-N 1 1 322.413 -1.212 20 0 DAADMO C[C@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112692 924281006 /nfs/dbraw/zinc/28/10/06/924281006.db2.gz HSNOMXQBPMTLNM-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112692 924281015 /nfs/dbraw/zinc/28/10/15/924281015.db2.gz HSNOMXQBPMTLNM-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112692 924281026 /nfs/dbraw/zinc/28/10/26/924281026.db2.gz HSNOMXQBPMTLNM-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112692 924281028 /nfs/dbraw/zinc/28/10/28/924281028.db2.gz HSNOMXQBPMTLNM-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112692 924281036 /nfs/dbraw/zinc/28/10/36/924281036.db2.gz HSNOMXQBPMTLNM-MNOVXSKESA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)[C@H]1CCNC1=O ZINC001394106430 924281223 /nfs/dbraw/zinc/28/12/23/924281223.db2.gz XPAUFBJAAKBMSB-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1nnc[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112696 924281304 /nfs/dbraw/zinc/28/13/04/924281304.db2.gz HSNOMXQBPMTLNM-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112696 924281312 /nfs/dbraw/zinc/28/13/12/924281312.db2.gz HSNOMXQBPMTLNM-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112696 924281320 /nfs/dbraw/zinc/28/13/20/924281320.db2.gz HSNOMXQBPMTLNM-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112696 924281324 /nfs/dbraw/zinc/28/13/24/924281324.db2.gz HSNOMXQBPMTLNM-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001394112696 924281333 /nfs/dbraw/zinc/28/13/33/924281333.db2.gz HSNOMXQBPMTLNM-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001394101495 924281423 /nfs/dbraw/zinc/28/14/23/924281423.db2.gz YYFIFQHXGXDMIW-UWVGGRQHSA-N 1 1 305.400 -1.256 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@H+](C)CC(=O)NCC1CC1 ZINC001394103411 924281641 /nfs/dbraw/zinc/28/16/41/924281641.db2.gz VHSQIJBUMFYBLY-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CC(=O)NCC1CC1 ZINC001394103411 924281651 /nfs/dbraw/zinc/28/16/51/924281651.db2.gz VHSQIJBUMFYBLY-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](F)CC[NH+]1CC(CCO)(NC(=O)Cn2cnnn2)C1 ZINC001394143052 924284166 /nfs/dbraw/zinc/28/41/66/924284166.db2.gz DCIJICJYLMDFBP-JTQLQIEISA-N 1 1 300.338 -1.026 20 0 DAADMO C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@H+](C)CCCO ZINC001394139007 924284259 /nfs/dbraw/zinc/28/42/59/924284259.db2.gz UTMXQWZPVSZEIY-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)[N@@H+](C)CCCO ZINC001394139007 924284269 /nfs/dbraw/zinc/28/42/69/924284269.db2.gz UTMXQWZPVSZEIY-LBPRGKRZSA-N 1 1 321.443 -1.464 20 0 DAADMO Cn1ncnc1CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394147630 924285417 /nfs/dbraw/zinc/28/54/17/924285417.db2.gz OFBDZTARSADAOK-GFCCVEGCSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001394147620 924285898 /nfs/dbraw/zinc/28/58/98/924285898.db2.gz OAJDCXZEWVDFCL-VXGBXAGGSA-N 1 1 313.398 -1.021 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)CCNC(N)=O)C1 ZINC001394165379 924288653 /nfs/dbraw/zinc/28/86/53/924288653.db2.gz DTGIAGGOHAVCMH-JTQLQIEISA-N 1 1 302.375 -1.367 20 0 DAADMO Cc1nn(CC(=O)NC2(CCO)C[NH+](CC3CC3)C2)c(=O)n1C ZINC001394161758 924289664 /nfs/dbraw/zinc/28/96/64/924289664.db2.gz BCTIABARZUHLRT-UHFFFAOYSA-N 1 1 323.397 -1.147 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+]([C@H]2CCN(C)C2=O)C1 ZINC001394253949 924293096 /nfs/dbraw/zinc/29/30/96/924293096.db2.gz OTYQKMKJDGZNLH-KOLCDFICSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001394242563 924293966 /nfs/dbraw/zinc/29/39/66/924293966.db2.gz TWDRKCSRTYOBLM-JTQLQIEISA-N 1 1 321.385 -1.222 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001394292253 924294497 /nfs/dbraw/zinc/29/44/97/924294497.db2.gz XFABKBJXZKSJAM-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC001394292253 924294505 /nfs/dbraw/zinc/29/45/05/924294505.db2.gz XFABKBJXZKSJAM-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001394273437 924294636 /nfs/dbraw/zinc/29/46/36/924294636.db2.gz BZBMRVSSLWNXOK-IINYFYTJSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)CNC(N)=O)C2)C1 ZINC001394273438 924295413 /nfs/dbraw/zinc/29/54/13/924295413.db2.gz BZBMRVSSLWNXOK-QMTHXVAHSA-N 1 1 311.386 -1.286 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC001394286500 924295478 /nfs/dbraw/zinc/29/54/78/924295478.db2.gz NURGHZSEULXDBN-NXEZZACHSA-N 1 1 312.374 -1.342 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001394282623 924295659 /nfs/dbraw/zinc/29/56/59/924295659.db2.gz JHJCCWSYOPGKIR-LLVKDONJSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001394302714 924296547 /nfs/dbraw/zinc/29/65/47/924296547.db2.gz RSPURSBKXIUKQV-XWLWVQCSSA-N 1 1 322.369 -1.948 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001394301948 924296568 /nfs/dbraw/zinc/29/65/68/924296568.db2.gz SUHQICVYNCJQBJ-CNDDSTCGSA-N 1 1 319.369 -1.754 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnnn3C)[C@@H]2C1 ZINC001394299186 924296639 /nfs/dbraw/zinc/29/66/39/924296639.db2.gz GNEJDWWDHQXAHM-FIQHERPVSA-N 1 1 309.370 -1.270 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394329716 924298174 /nfs/dbraw/zinc/29/81/74/924298174.db2.gz WLIFCEJADFQCMH-CNDDSTCGSA-N 1 1 312.370 -2.475 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394326779 924298582 /nfs/dbraw/zinc/29/85/82/924298582.db2.gz DQFMRUQCCGXUNO-FIQHERPVSA-N 1 1 304.412 -1.047 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)n1C ZINC001394328418 924298870 /nfs/dbraw/zinc/29/88/70/924298870.db2.gz WBLVOQLFIIAEBN-RTCCRHLQSA-N 1 1 322.369 -2.330 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001394344164 924300230 /nfs/dbraw/zinc/30/02/30/924300230.db2.gz QAIPQGHUEAPTPJ-CNDDSTCGSA-N 1 1 323.397 -1.429 20 0 DAADMO CC(C)[C@@H](CCNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001394413621 924302976 /nfs/dbraw/zinc/30/29/76/924302976.db2.gz LIKSEDFYGQPDGT-NXEZZACHSA-N 1 1 324.389 -1.488 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cnnn2)n1 ZINC001394467857 924304119 /nfs/dbraw/zinc/30/41/19/924304119.db2.gz SSMCPIPDNCTRSV-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001394477379 924304335 /nfs/dbraw/zinc/30/43/35/924304335.db2.gz OWYWWYDYVNKEJK-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001394477380 924304855 /nfs/dbraw/zinc/30/48/55/924304855.db2.gz OWYWWYDYVNKEJK-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001394501026 924305139 /nfs/dbraw/zinc/30/51/39/924305139.db2.gz CDPKUGIYSPPVPF-SECBINFHSA-N 1 1 323.357 -1.090 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1cnon1 ZINC001394533764 924306629 /nfs/dbraw/zinc/30/66/29/924306629.db2.gz UEDWJQXMLDYBQC-IUCAKERBSA-N 1 1 319.387 -1.056 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1snnc1C ZINC001394562234 924306939 /nfs/dbraw/zinc/30/69/39/924306939.db2.gz CSAOWVRMEQPQOD-VIFPVBQESA-N 1 1 301.372 -1.451 20 0 DAADMO CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001394562085 924307183 /nfs/dbraw/zinc/30/71/83/924307183.db2.gz JJHUVFXTQSHKHO-JTQLQIEISA-N 1 1 316.402 -1.506 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)c1nccs1 ZINC001394560812 924307229 /nfs/dbraw/zinc/30/72/29/924307229.db2.gz CFFQRXVIGWHFAR-VIFPVBQESA-N 1 1 316.383 -1.181 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001394561166 924307518 /nfs/dbraw/zinc/30/75/18/924307518.db2.gz FWEBKEXMBFTXRV-VIFPVBQESA-N 1 1 320.367 -1.104 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001394533762 924307620 /nfs/dbraw/zinc/30/76/20/924307620.db2.gz UEDWJQXMLDYBQC-DTWKUNHWSA-N 1 1 319.387 -1.056 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2COCCO2)cn1 ZINC001394569816 924310960 /nfs/dbraw/zinc/31/09/60/924310960.db2.gz HIDICXFHNNUONQ-STQMWFEESA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)cn1 ZINC001394569808 924311486 /nfs/dbraw/zinc/31/14/86/924311486.db2.gz HIDICXFHNNUONQ-QWHCGFSZSA-N 1 1 310.354 -1.233 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001394572929 924313001 /nfs/dbraw/zinc/31/30/01/924313001.db2.gz AMKIRAIUISJCJS-VXGBXAGGSA-N 1 1 309.370 -1.252 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001394574165 924313838 /nfs/dbraw/zinc/31/38/38/924313838.db2.gz IEKVSEADBJZSOL-SNVBAGLBSA-N 1 1 306.330 -1.962 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001394583353 924321989 /nfs/dbraw/zinc/32/19/89/924321989.db2.gz PTFBTWSMNOZAID-MRVPVSSYSA-N 1 1 316.387 -1.576 20 0 DAADMO COc1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)on1 ZINC001394587634 924324407 /nfs/dbraw/zinc/32/44/07/924324407.db2.gz RNAJAUZIIHDKPD-QMMMGPOBSA-N 1 1 310.314 -1.308 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NC ZINC001394590368 924325821 /nfs/dbraw/zinc/32/58/21/924325821.db2.gz IURMFQWCNNQNRA-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)CC1=O ZINC001394597211 924330606 /nfs/dbraw/zinc/33/06/06/924330606.db2.gz ZKGCLZPDONNHRX-NXEZZACHSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001394609250 924334982 /nfs/dbraw/zinc/33/49/82/924334982.db2.gz FVFIHJIKLFJUQM-YGRLFVJLSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)ncn1 ZINC001394606956 924335496 /nfs/dbraw/zinc/33/54/96/924335496.db2.gz NPCZDUDZABYCMW-DGCLKSJQSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001394609488 924337282 /nfs/dbraw/zinc/33/72/82/924337282.db2.gz CMCQSCWAKFJBQL-QWRGUYRKSA-N 1 1 310.358 -1.990 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001394617884 924341338 /nfs/dbraw/zinc/34/13/38/924341338.db2.gz FFAZSJOFICMARN-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO C[NH+](C)CCCC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001394617894 924342489 /nfs/dbraw/zinc/34/24/89/924342489.db2.gz FFAZSJOFICMARN-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CN1CCC[C@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001394624335 924344945 /nfs/dbraw/zinc/34/49/45/924344945.db2.gz WLDOFPOIOBXGGK-RYUDHWBXSA-N 1 1 300.403 -1.374 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001394632753 924345931 /nfs/dbraw/zinc/34/59/31/924345931.db2.gz HQCCITIDAGJJPK-DGCLKSJQSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)o1 ZINC001394632772 924346059 /nfs/dbraw/zinc/34/60/59/924346059.db2.gz HXZANAFOZINYAC-MXWKQRLJSA-N 1 1 310.354 -1.020 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001394632755 924346371 /nfs/dbraw/zinc/34/63/71/924346371.db2.gz HQCCITIDAGJJPK-WCQYABFASA-N 1 1 312.414 -1.327 20 0 DAADMO CCn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccn(C)n2)nn1 ZINC001394641572 924351720 /nfs/dbraw/zinc/35/17/20/924351720.db2.gz FTFYCUPMVCRVNL-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CS(=O)(=O)CCN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001394646049 924353113 /nfs/dbraw/zinc/35/31/13/924353113.db2.gz AIIYMOUKPNQNRI-NSHDSACASA-N 1 1 319.427 -1.807 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001394648551 924353892 /nfs/dbraw/zinc/35/38/92/924353892.db2.gz QAVDATZMKRPBPJ-SECBINFHSA-N 1 1 308.346 -1.775 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)no1 ZINC001394649637 924354623 /nfs/dbraw/zinc/35/46/23/924354623.db2.gz CXLIJKMAPJHJOH-VIFPVBQESA-N 1 1 320.371 -1.901 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnoc1C ZINC001394651022 924355321 /nfs/dbraw/zinc/35/53/21/924355321.db2.gz HFXSZYIKIIMKOV-SNVBAGLBSA-N 1 1 320.371 -1.901 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)Cn1ccccc1=O ZINC001394656700 924356608 /nfs/dbraw/zinc/35/66/08/924356608.db2.gz MWXCKKKLUKMJPL-NSHDSACASA-N 1 1 320.353 -1.756 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1)Nc1ccon1 ZINC001394656796 924356721 /nfs/dbraw/zinc/35/67/21/924356721.db2.gz BWEKQBPCICRTGM-SNVBAGLBSA-N 1 1 322.325 -1.424 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C[C@@H]1C ZINC001394677583 924361253 /nfs/dbraw/zinc/36/12/53/924361253.db2.gz GFGYGYJVLDBKOW-UWVGGRQHSA-N 1 1 309.374 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C[C@H]1C ZINC001394677576 924361735 /nfs/dbraw/zinc/36/17/35/924361735.db2.gz GFGYGYJVLDBKOW-NXEZZACHSA-N 1 1 309.374 -1.177 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CCO ZINC001394718672 924362661 /nfs/dbraw/zinc/36/26/61/924362661.db2.gz SUWIFVJZHWEQPO-RYUDHWBXSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CCn2ncn(C)c2=O)CCC[N@H+]1CCO ZINC001394718674 924362821 /nfs/dbraw/zinc/36/28/21/924362821.db2.gz SUWIFVJZHWEQPO-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccccn1 ZINC001394724829 924363353 /nfs/dbraw/zinc/36/33/53/924363353.db2.gz RATWXNRUECZEOD-SNVBAGLBSA-N 1 1 305.342 -1.172 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CCn1cncn1 ZINC001394724539 924363660 /nfs/dbraw/zinc/36/36/60/924363660.db2.gz AUWCVZQOVZJMGP-LLVKDONJSA-N 1 1 322.373 -1.594 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)[nH]n1 ZINC001394726433 924363816 /nfs/dbraw/zinc/36/38/16/924363816.db2.gz HHIDBJJRUZGISD-SNVBAGLBSA-N 1 1 322.373 -1.282 20 0 DAADMO CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001394730352 924364551 /nfs/dbraw/zinc/36/45/51/924364551.db2.gz KXALRBPRGVZYAP-QWHCGFSZSA-N 1 1 310.402 -1.182 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cccn2)[nH]1 ZINC001394727960 924366143 /nfs/dbraw/zinc/36/61/43/924366143.db2.gz LZNVTGCYEHSMJN-LLVKDONJSA-N 1 1 307.358 -1.081 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001394731977 924368534 /nfs/dbraw/zinc/36/85/34/924368534.db2.gz CAOKJMRVKKDGCD-LBPRGKRZSA-N 1 1 311.386 -1.114 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001394734742 924369882 /nfs/dbraw/zinc/36/98/82/924369882.db2.gz YHBKBRXIHNNGLU-SNVBAGLBSA-N 1 1 312.374 -1.452 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCNC(=O)C1 ZINC001394743408 924372660 /nfs/dbraw/zinc/37/26/60/924372660.db2.gz XJWCPYOTRXFOFM-CMPLNLGQSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001394744944 924373223 /nfs/dbraw/zinc/37/32/23/924373223.db2.gz ORMFJNRNUUENAX-JTQLQIEISA-N 1 1 323.357 -1.225 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1ccsn1 ZINC001394747875 924373655 /nfs/dbraw/zinc/37/36/55/924373655.db2.gz XWMATGQWZOHASA-MRVPVSSYSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@]1(F)CCOC1 ZINC001394747996 924374510 /nfs/dbraw/zinc/37/45/10/924374510.db2.gz OZSCYIXFJPNWNX-WCQYABFASA-N 1 1 315.349 -1.147 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnc[nH]c1=O ZINC001394747378 924374757 /nfs/dbraw/zinc/37/47/57/924374757.db2.gz VPCWTGBGQCSJPI-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO CCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)nn1 ZINC001394753412 924376848 /nfs/dbraw/zinc/37/68/48/924376848.db2.gz DJZPRTLDYQIJEF-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001394753223 924377071 /nfs/dbraw/zinc/37/70/71/924377071.db2.gz DRNOLASMZSNMIT-SECBINFHSA-N 1 1 309.330 -1.352 20 0 DAADMO CCn1nncc1C[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]nnc1C ZINC001394749628 924377095 /nfs/dbraw/zinc/37/70/95/924377095.db2.gz FKVFEYPOIAMMQR-NSHDSACASA-N 1 1 322.373 -1.053 20 0 DAADMO CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1)C(N)=O ZINC001394754408 924377998 /nfs/dbraw/zinc/37/79/98/924377998.db2.gz NDBCBRBKRWRMEY-NEPJUHHUSA-N 1 1 300.403 -1.245 20 0 DAADMO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCC1)C(N)=O ZINC001394754416 924378126 /nfs/dbraw/zinc/37/81/26/924378126.db2.gz NDBCBRBKRWRMEY-VXGBXAGGSA-N 1 1 300.403 -1.245 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)co1 ZINC001394754783 924378659 /nfs/dbraw/zinc/37/86/59/924378659.db2.gz BKKDFYGUQQSXKN-GHMZBOCLSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O)[nH]1 ZINC001394755058 924379336 /nfs/dbraw/zinc/37/93/36/924379336.db2.gz VHYYPAHAJOJEHK-SCZZXKLOSA-N 1 1 312.374 -1.466 20 0 DAADMO Cc1c[nH]c(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001394759992 924380771 /nfs/dbraw/zinc/38/07/71/924380771.db2.gz SMANDAHGWOXMBO-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001394761156 924380836 /nfs/dbraw/zinc/38/08/36/924380836.db2.gz DYXXVWSAOJVECC-GXSJLCMTSA-N 1 1 314.386 -1.008 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2[nH]nnc2c1)C(N)=O ZINC001394763955 924381114 /nfs/dbraw/zinc/38/11/14/924381114.db2.gz KVEPSPLRNOWTEE-WCBMZHEXSA-N 1 1 320.353 -1.146 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001394771342 924382349 /nfs/dbraw/zinc/38/23/49/924382349.db2.gz VDHFUNXDGSWTIG-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001394771342 924382354 /nfs/dbraw/zinc/38/23/54/924382354.db2.gz VDHFUNXDGSWTIG-VXGBXAGGSA-N 1 1 301.387 -1.138 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394766661 924382811 /nfs/dbraw/zinc/38/28/11/924382811.db2.gz BNSDXRHODMPSKH-WDEREUQCSA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394766661 924382820 /nfs/dbraw/zinc/38/28/20/924382820.db2.gz BNSDXRHODMPSKH-WDEREUQCSA-N 1 1 315.370 -1.563 20 0 DAADMO COCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001394764310 924383184 /nfs/dbraw/zinc/38/31/84/924383184.db2.gz QOBPNWOUDIVJMT-UWVGGRQHSA-N 1 1 318.374 -1.643 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nncn1C ZINC001394767542 924383247 /nfs/dbraw/zinc/38/32/47/924383247.db2.gz YPJSRCZAUMOWJV-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO COCCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001394764312 924383331 /nfs/dbraw/zinc/38/33/31/924383331.db2.gz QOBPNWOUDIVJMT-ZJUUUORDSA-N 1 1 318.374 -1.643 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001394776069 924384753 /nfs/dbraw/zinc/38/47/53/924384753.db2.gz IFBPABWLCTZZDY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001394776069 924384762 /nfs/dbraw/zinc/38/47/62/924384762.db2.gz IFBPABWLCTZZDY-QWRGUYRKSA-N 1 1 311.386 -1.081 20 0 DAADMO CCc1nnsc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001394776368 924384913 /nfs/dbraw/zinc/38/49/13/924384913.db2.gz JIQUNVDHFNUOJD-QMMMGPOBSA-N 1 1 315.399 -1.050 20 0 DAADMO CCc1nnsc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001394776368 924384916 /nfs/dbraw/zinc/38/49/16/924384916.db2.gz JIQUNVDHFNUOJD-QMMMGPOBSA-N 1 1 315.399 -1.050 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001394777112 924384951 /nfs/dbraw/zinc/38/49/51/924384951.db2.gz MOTAKYLCJWLJLK-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001394777112 924384954 /nfs/dbraw/zinc/38/49/54/924384954.db2.gz MOTAKYLCJWLJLK-VXGBXAGGSA-N 1 1 322.427 -1.181 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394773497 924385211 /nfs/dbraw/zinc/38/52/11/924385211.db2.gz PNOHDFGEJBJTJX-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773497 924385235 /nfs/dbraw/zinc/38/52/35/924385235.db2.gz PNOHDFGEJBJTJX-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773497 924385244 /nfs/dbraw/zinc/38/52/44/924385244.db2.gz PNOHDFGEJBJTJX-NEPJUHHUSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001394774779 924385708 /nfs/dbraw/zinc/38/57/08/924385708.db2.gz LKGCXBDRHIXASE-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cncn1C)C(=O)Cn1ncnn1 ZINC001394774779 924385714 /nfs/dbraw/zinc/38/57/14/924385714.db2.gz LKGCXBDRHIXASE-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001394776070 924386101 /nfs/dbraw/zinc/38/61/01/924386101.db2.gz IFBPABWLCTZZDY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001394776070 924386110 /nfs/dbraw/zinc/38/61/10/924386110.db2.gz IFBPABWLCTZZDY-WDEREUQCSA-N 1 1 311.386 -1.081 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001394774414 924386198 /nfs/dbraw/zinc/38/61/98/924386198.db2.gz DGHDDLVRNJIRAR-IUCAKERBSA-N 1 1 303.363 -2.460 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001394774414 924386206 /nfs/dbraw/zinc/38/62/06/924386206.db2.gz DGHDDLVRNJIRAR-IUCAKERBSA-N 1 1 303.363 -2.460 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394773506 924386411 /nfs/dbraw/zinc/38/64/11/924386411.db2.gz PNOHDFGEJBJTJX-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773506 924386430 /nfs/dbraw/zinc/38/64/30/924386430.db2.gz PNOHDFGEJBJTJX-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001394773506 924386439 /nfs/dbraw/zinc/38/64/39/924386439.db2.gz PNOHDFGEJBJTJX-VXGBXAGGSA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cn1cc(C2CC2)nn1 ZINC001394776358 924386759 /nfs/dbraw/zinc/38/67/59/924386759.db2.gz KLCIYGWDRBMSDW-GFCCVEGCSA-N 1 1 311.386 -1.101 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001394785749 924387554 /nfs/dbraw/zinc/38/75/54/924387554.db2.gz LGDIETJNNMHGQP-SECBINFHSA-N 1 1 314.346 -3.182 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001394785749 924387563 /nfs/dbraw/zinc/38/75/63/924387563.db2.gz LGDIETJNNMHGQP-SECBINFHSA-N 1 1 314.346 -3.182 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CCn1ncn(C)c1=O ZINC001394779427 924387753 /nfs/dbraw/zinc/38/77/53/924387753.db2.gz FILNITFUDGJFRO-NSHDSACASA-N 1 1 317.365 -1.308 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CCn1ncn(C)c1=O ZINC001394779427 924387758 /nfs/dbraw/zinc/38/77/58/924387758.db2.gz FILNITFUDGJFRO-NSHDSACASA-N 1 1 317.365 -1.308 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001394778097 924387951 /nfs/dbraw/zinc/38/79/51/924387951.db2.gz XDCAZCNONLXHAR-SECBINFHSA-N 1 1 303.363 -2.458 20 0 DAADMO CNC(=O)NCCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001394778097 924387954 /nfs/dbraw/zinc/38/79/54/924387954.db2.gz XDCAZCNONLXHAR-SECBINFHSA-N 1 1 303.363 -2.458 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cccnc1C(N)=O ZINC001394785017 924388556 /nfs/dbraw/zinc/38/85/56/924388556.db2.gz BAOWCZBIWAINIX-NSHDSACASA-N 1 1 324.381 -1.072 20 0 DAADMO CNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394784286 924389121 /nfs/dbraw/zinc/38/91/21/924389121.db2.gz GRISIDRQDHZVPF-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1nccn1C ZINC001394777999 924389291 /nfs/dbraw/zinc/38/92/91/924389291.db2.gz AUELXHPGEXNWSV-LLVKDONJSA-N 1 1 311.386 -1.411 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1nccn1C ZINC001394777999 924389298 /nfs/dbraw/zinc/38/92/98/924389298.db2.gz AUELXHPGEXNWSV-LLVKDONJSA-N 1 1 311.386 -1.411 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394783428 924389372 /nfs/dbraw/zinc/38/93/72/924389372.db2.gz MJRLPAAVQJOKHR-ZJUUUORDSA-N 1 1 300.359 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786623 924390111 /nfs/dbraw/zinc/39/01/11/924390111.db2.gz BFPZIBADOLOQGU-VXGBXAGGSA-N 1 1 324.381 -1.527 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001394786623 924390123 /nfs/dbraw/zinc/39/01/23/924390123.db2.gz BFPZIBADOLOQGU-VXGBXAGGSA-N 1 1 324.381 -1.527 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001394795914 924390738 /nfs/dbraw/zinc/39/07/38/924390738.db2.gz XNYSFTLDXPHTMA-VXGBXAGGSA-N 1 1 324.385 -1.740 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C1 ZINC001394791410 924390786 /nfs/dbraw/zinc/39/07/86/924390786.db2.gz OPBFNLRBOLBRTF-STQMWFEESA-N 1 1 303.403 -1.550 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790947 924391127 /nfs/dbraw/zinc/39/11/27/924391127.db2.gz DVQOWCGINRUABE-MNOVXSKESA-N 1 1 324.381 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001394790947 924391134 /nfs/dbraw/zinc/39/11/34/924391134.db2.gz DVQOWCGINRUABE-MNOVXSKESA-N 1 1 324.381 -1.376 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)nn1C ZINC001394787204 924391227 /nfs/dbraw/zinc/39/12/27/924391227.db2.gz FRBNYJAUACWHKD-LLVKDONJSA-N 1 1 311.386 -1.168 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)nn1C ZINC001394787204 924391238 /nfs/dbraw/zinc/39/12/38/924391238.db2.gz FRBNYJAUACWHKD-LLVKDONJSA-N 1 1 311.386 -1.168 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001394790574 924391501 /nfs/dbraw/zinc/39/15/01/924391501.db2.gz LCIKTEAWDGGTJE-ZYHUDNBSSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001394790574 924391510 /nfs/dbraw/zinc/39/15/10/924391510.db2.gz LCIKTEAWDGGTJE-ZYHUDNBSSA-N 1 1 323.397 -1.249 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001394794724 924391747 /nfs/dbraw/zinc/39/17/47/924391747.db2.gz XIEULYKJOKLTIT-VIFPVBQESA-N 1 1 313.358 -2.426 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001394794724 924391754 /nfs/dbraw/zinc/39/17/54/924391754.db2.gz XIEULYKJOKLTIT-VIFPVBQESA-N 1 1 313.358 -2.426 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791124 924391789 /nfs/dbraw/zinc/39/17/89/924391789.db2.gz SJKYKRNNALRLIW-SCZZXKLOSA-N 1 1 311.342 -1.579 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001394791124 924391795 /nfs/dbraw/zinc/39/17/95/924391795.db2.gz SJKYKRNNALRLIW-SCZZXKLOSA-N 1 1 311.342 -1.579 20 0 DAADMO Cc1ccnc2nc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)nn21 ZINC001394789626 924391807 /nfs/dbraw/zinc/39/18/07/924391807.db2.gz GYXYYAHHOJHRDE-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CN(CC(N)=O)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001394789691 924392084 /nfs/dbraw/zinc/39/20/84/924392084.db2.gz PMLJPAUGWQTOIS-NWDGAFQWSA-N 1 1 300.403 -1.293 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C[C@@H]1CCC(=O)N1 ZINC001394791464 924392199 /nfs/dbraw/zinc/39/21/99/924392199.db2.gz XODPJSZSEMDPBN-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001394810421 924394262 /nfs/dbraw/zinc/39/42/62/924394262.db2.gz XEWZNHPAXUGXAB-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001394810421 924394270 /nfs/dbraw/zinc/39/42/70/924394270.db2.gz XEWZNHPAXUGXAB-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CCn1cc(C(=O)NCC[N@H+](CCOC)[C@@H]2CCNC2=O)nn1 ZINC001394839051 924394505 /nfs/dbraw/zinc/39/45/05/924394505.db2.gz XRCCODGZMGIZNK-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1cc(C(=O)NCC[N@@H+](CCOC)[C@@H]2CCNC2=O)nn1 ZINC001394839051 924394512 /nfs/dbraw/zinc/39/45/12/924394512.db2.gz XRCCODGZMGIZNK-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001394969292 924397319 /nfs/dbraw/zinc/39/73/19/924397319.db2.gz KZNTUZKZQNVVSI-QWRGUYRKSA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CN=NC1=O ZINC001395090333 924401386 /nfs/dbraw/zinc/40/13/86/924401386.db2.gz LMQHGOIVBSMXPT-QWRGUYRKSA-N 1 1 324.385 -1.102 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395064525 924401482 /nfs/dbraw/zinc/40/14/82/924401482.db2.gz ZWMGCRYFHSSBOC-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)Cn1cnnn1 ZINC001395132233 924403978 /nfs/dbraw/zinc/40/39/78/924403978.db2.gz CMGAVEIJNYVXCE-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001395129435 924404233 /nfs/dbraw/zinc/40/42/33/924404233.db2.gz PLYLURLHKKPWNC-SECBINFHSA-N 1 1 320.357 -1.008 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001395519965 924417202 /nfs/dbraw/zinc/41/72/02/924417202.db2.gz RIUYHTUJONWREK-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001395519965 924417208 /nfs/dbraw/zinc/41/72/08/924417208.db2.gz RIUYHTUJONWREK-ZYHUDNBSSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1ncnn1 ZINC001395539246 924418868 /nfs/dbraw/zinc/41/88/68/924418868.db2.gz MPSPZYZWSYVKQM-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1ncnn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395582210 924420994 /nfs/dbraw/zinc/42/09/94/924420994.db2.gz KTAYRXYRGCIIID-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H](CN(C)C(=O)c1nnn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395647240 924423719 /nfs/dbraw/zinc/42/37/19/924423719.db2.gz YQBQJRQRYNUYDP-NXEZZACHSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)Cn1cnnn1 ZINC001395668540 924425904 /nfs/dbraw/zinc/42/59/04/924425904.db2.gz ICKFSXYGRCCMSM-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)Cn1cccn1 ZINC001395691298 924433014 /nfs/dbraw/zinc/43/30/14/924433014.db2.gz JCMMRKPLOBGDKA-NWDGAFQWSA-N 1 1 309.370 -1.429 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001395692063 924434575 /nfs/dbraw/zinc/43/45/75/924434575.db2.gz KPYLPCLHGTWTPR-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001395692063 924434579 /nfs/dbraw/zinc/43/45/79/924434579.db2.gz KPYLPCLHGTWTPR-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001395692979 924434884 /nfs/dbraw/zinc/43/48/84/924434884.db2.gz QJTHHACYDBTNDE-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO CSCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395702060 924441189 /nfs/dbraw/zinc/44/11/89/924441189.db2.gz NHQXBAVQHNTBBJ-MNOVXSKESA-N 1 1 319.427 -1.337 20 0 DAADMO CSCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395702060 924441196 /nfs/dbraw/zinc/44/11/96/924441196.db2.gz NHQXBAVQHNTBBJ-MNOVXSKESA-N 1 1 319.427 -1.337 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001395707761 924442605 /nfs/dbraw/zinc/44/26/05/924442605.db2.gz MGMBCQLCGRDRJR-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO COCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001395707761 924442609 /nfs/dbraw/zinc/44/26/09/924442609.db2.gz MGMBCQLCGRDRJR-MNOVXSKESA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395711208 924445233 /nfs/dbraw/zinc/44/52/33/924445233.db2.gz TUQWKFJLLYOQDD-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001395711208 924445236 /nfs/dbraw/zinc/44/52/36/924445236.db2.gz TUQWKFJLLYOQDD-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001395711208 924445240 /nfs/dbraw/zinc/44/52/40/924445240.db2.gz TUQWKFJLLYOQDD-UWVGGRQHSA-N 1 1 310.358 -1.965 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001395713845 924445565 /nfs/dbraw/zinc/44/55/65/924445565.db2.gz HFMDIAXFWXFLSZ-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395711210 924445802 /nfs/dbraw/zinc/44/58/02/924445802.db2.gz TUQWKFJLLYOQDD-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001395711210 924445808 /nfs/dbraw/zinc/44/58/08/924445808.db2.gz TUQWKFJLLYOQDD-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nnc[nH]1 ZINC001395711210 924445815 /nfs/dbraw/zinc/44/58/15/924445815.db2.gz TUQWKFJLLYOQDD-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)c2ncn(C)n2)C1 ZINC001395723607 924450282 /nfs/dbraw/zinc/45/02/82/924450282.db2.gz HCDXGSJNIGLVLI-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC001395733887 924455023 /nfs/dbraw/zinc/45/50/23/924455023.db2.gz NPQPWBTVBQKTKJ-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395737359 924455684 /nfs/dbraw/zinc/45/56/84/924455684.db2.gz MZXWCAUOHFCSST-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2ncc[nH]2)C1 ZINC001395737325 924455959 /nfs/dbraw/zinc/45/59/59/924455959.db2.gz MVZMOFGBUFGVFF-WDEREUQCSA-N 1 1 309.370 -1.503 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001395737783 924456005 /nfs/dbraw/zinc/45/60/05/924456005.db2.gz ODALYCPGNDQONG-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2c[nH]cn2)C1 ZINC001395737416 924456891 /nfs/dbraw/zinc/45/68/91/924456891.db2.gz NJQSKXVSFZNPPR-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737416 924456897 /nfs/dbraw/zinc/45/68/97/924456897.db2.gz NJQSKXVSFZNPPR-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cc2cnc[nH]2)C1 ZINC001395737416 924456903 /nfs/dbraw/zinc/45/69/03/924456903.db2.gz NJQSKXVSFZNPPR-CMPLNLGQSA-N 1 1 309.370 -1.503 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cnsn2)C1 ZINC001395741221 924458414 /nfs/dbraw/zinc/45/84/14/924458414.db2.gz XHKMLYKYMBMQBA-RKDXNWHRSA-N 1 1 313.383 -1.303 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC001395745066 924459658 /nfs/dbraw/zinc/45/96/58/924459658.db2.gz RCTJLVPNGZFSRA-VHSXEESVSA-N 1 1 315.374 -2.397 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001395745070 924459853 /nfs/dbraw/zinc/45/98/53/924459853.db2.gz RCTJLVPNGZFSRA-ZJUUUORDSA-N 1 1 315.374 -2.397 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395751983 924461508 /nfs/dbraw/zinc/46/15/08/924461508.db2.gz BRZVUBRMJALNCF-UWVGGRQHSA-N 1 1 311.342 -1.463 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1CCC1 ZINC001395748147 924461736 /nfs/dbraw/zinc/46/17/36/924461736.db2.gz NGDPZHICXUFAHD-VIFPVBQESA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCCC(N)=O ZINC001395754243 924463100 /nfs/dbraw/zinc/46/31/00/924463100.db2.gz ARJGWSQECLGSFH-MNOVXSKESA-N 1 1 314.386 -1.671 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001395758581 924464432 /nfs/dbraw/zinc/46/44/32/924464432.db2.gz ASUNXYQCVQRRMS-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001395762870 924466415 /nfs/dbraw/zinc/46/64/15/924466415.db2.gz QLCYEZFTBCKTDW-WDEREUQCSA-N 1 1 324.385 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1n[nH]cc1F ZINC001395762966 924467068 /nfs/dbraw/zinc/46/70/68/924467068.db2.gz KWLQNBXSDKCRIR-SECBINFHSA-N 1 1 324.316 -1.039 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]n1 ZINC001395767331 924467957 /nfs/dbraw/zinc/46/79/57/924467957.db2.gz YPRIVDQFFUAPKN-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO CC(=O)NCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001395764357 924468098 /nfs/dbraw/zinc/46/80/98/924468098.db2.gz TXGHGUIRPJWZPG-NWDGAFQWSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001395764605 924468236 /nfs/dbraw/zinc/46/82/36/924468236.db2.gz IGHZNYGHMQQBOR-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ccncn1 ZINC001395766251 924468472 /nfs/dbraw/zinc/46/84/72/924468472.db2.gz RWEBMJMXRGYAKX-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001395767914 924468845 /nfs/dbraw/zinc/46/88/45/924468845.db2.gz ZKMZQECNCFMSER-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001395772105 924469512 /nfs/dbraw/zinc/46/95/12/924469512.db2.gz OHFKGIFAIVQOJK-JTQLQIEISA-N 1 1 312.374 -1.338 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001395770294 924469900 /nfs/dbraw/zinc/46/99/00/924469900.db2.gz COHIJTIKKWFAGL-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(N[C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001395770294 924469907 /nfs/dbraw/zinc/46/99/07/924469907.db2.gz COHIJTIKKWFAGL-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001395772108 924470093 /nfs/dbraw/zinc/47/00/93/924470093.db2.gz OHFKGIFAIVQOJK-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cn(C)nn1 ZINC001395776695 924472219 /nfs/dbraw/zinc/47/22/19/924472219.db2.gz JNRCJJMLZSSLDV-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO Cn1cnc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001395780391 924473047 /nfs/dbraw/zinc/47/30/47/924473047.db2.gz VUZYOFLRVOOPIR-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001395780653 924475593 /nfs/dbraw/zinc/47/55/93/924475593.db2.gz VXYMYBYATHTZEU-GHMZBOCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC001395780655 924475881 /nfs/dbraw/zinc/47/58/81/924475881.db2.gz VXYMYBYATHTZEU-WDEREUQCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001395781974 924475898 /nfs/dbraw/zinc/47/58/98/924475898.db2.gz OYNWXRCTDXSYPL-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001395781974 924475903 /nfs/dbraw/zinc/47/59/03/924475903.db2.gz OYNWXRCTDXSYPL-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cccnn2)C1 ZINC001395791626 924477138 /nfs/dbraw/zinc/47/71/38/924477138.db2.gz LOZXGQISTLNDNI-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001395787100 924477233 /nfs/dbraw/zinc/47/72/33/924477233.db2.gz OQDLTNOFQGEAMB-MWLCHTKSSA-N 1 1 323.353 -1.929 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c2cn(C)nn2)C1 ZINC001395807573 924482357 /nfs/dbraw/zinc/48/23/57/924482357.db2.gz OGWNIIJLUCDLIN-GHMZBOCLSA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)CC[N@H+]1C ZINC001395813591 924483267 /nfs/dbraw/zinc/48/32/67/924483267.db2.gz UVLUECZZBBKDCG-GMTAPVOTSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)CC[N@@H+]1C ZINC001395813591 924483274 /nfs/dbraw/zinc/48/32/74/924483274.db2.gz UVLUECZZBBKDCG-GMTAPVOTSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)CC[N@H+]1C ZINC001395813591 924483278 /nfs/dbraw/zinc/48/32/78/924483278.db2.gz UVLUECZZBBKDCG-GMTAPVOTSA-N 1 1 324.385 -1.719 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2ccn(C)n2)C1 ZINC001395811098 924483825 /nfs/dbraw/zinc/48/38/25/924483825.db2.gz XFIYKSWILZPONF-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001395812254 924484479 /nfs/dbraw/zinc/48/44/79/924484479.db2.gz OSIAKZBALOIBIL-LLVKDONJSA-N 1 1 312.374 -1.788 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001395808816 924484521 /nfs/dbraw/zinc/48/45/21/924484521.db2.gz FRXNDABWCCYTKJ-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808816 924484527 /nfs/dbraw/zinc/48/45/27/924484527.db2.gz FRXNDABWCCYTKJ-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001395808816 924484532 /nfs/dbraw/zinc/48/45/32/924484532.db2.gz FRXNDABWCCYTKJ-ZJUUUORDSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnn(C)n2)C1 ZINC001395809080 924484569 /nfs/dbraw/zinc/48/45/69/924484569.db2.gz RJJXRGLDJFNWKW-QWRGUYRKSA-N 1 1 324.385 -1.636 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1cncn1C ZINC001395812612 924484638 /nfs/dbraw/zinc/48/46/38/924484638.db2.gz GXEFHRVJHLFWJH-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001395959993 924490957 /nfs/dbraw/zinc/49/09/57/924490957.db2.gz AYJWBQOWJSYLMN-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)Cc1ccn[nH]1 ZINC001395984532 924493678 /nfs/dbraw/zinc/49/36/78/924493678.db2.gz GDXFKXUOWSICBA-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001396021117 924499947 /nfs/dbraw/zinc/49/99/47/924499947.db2.gz WKPSBGVXVSQQPU-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036733 924502702 /nfs/dbraw/zinc/50/27/02/924502702.db2.gz CTDADXCUIAORJL-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036733 924502710 /nfs/dbraw/zinc/50/27/10/924502710.db2.gz CTDADXCUIAORJL-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001396035410 924502786 /nfs/dbraw/zinc/50/27/86/924502786.db2.gz PZOWTWLYHSWQTK-VHSXEESVSA-N 1 1 312.374 -1.306 20 0 DAADMO CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001396035410 924502796 /nfs/dbraw/zinc/50/27/96/924502796.db2.gz PZOWTWLYHSWQTK-VHSXEESVSA-N 1 1 312.374 -1.306 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036727 924503355 /nfs/dbraw/zinc/50/33/55/924503355.db2.gz CTDADXCUIAORJL-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396036727 924503365 /nfs/dbraw/zinc/50/33/65/924503365.db2.gz CTDADXCUIAORJL-GHMZBOCLSA-N 1 1 324.385 -1.162 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001396044018 924504702 /nfs/dbraw/zinc/50/47/02/924504702.db2.gz IBVOSLLPYCLEMA-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001396053009 924506044 /nfs/dbraw/zinc/50/60/44/924506044.db2.gz PXBVTLSTPXVVKF-CHWSQXEVSA-N 1 1 314.430 -1.032 20 0 DAADMO COCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001396375953 924514433 /nfs/dbraw/zinc/51/44/33/924514433.db2.gz DWUPWECXEJRDSK-YUSALJHKSA-N 1 1 310.354 -1.077 20 0 DAADMO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1O ZINC001396378739 924516265 /nfs/dbraw/zinc/51/62/65/924516265.db2.gz XXZYQVFFELYRNU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001396385031 924517558 /nfs/dbraw/zinc/51/75/58/924517558.db2.gz HUPXHRXRMBCGDU-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O)[NH+](C)C ZINC001396380686 924517833 /nfs/dbraw/zinc/51/78/33/924517833.db2.gz UXMCNVWMKHODPK-JHJVBQTASA-N 1 1 323.397 -1.020 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001396421607 924522337 /nfs/dbraw/zinc/52/23/37/924522337.db2.gz YJRYDUUJANLWJY-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001396421607 924522344 /nfs/dbraw/zinc/52/23/44/924522344.db2.gz YJRYDUUJANLWJY-VWYCJHECSA-N 1 1 301.343 -2.349 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)C1 ZINC001396428858 924523997 /nfs/dbraw/zinc/52/39/97/924523997.db2.gz ACLWSVOIXRDZKZ-WOPDTQHZSA-N 1 1 317.361 -1.245 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CCCF)C[C@@H]2O)C1 ZINC001396428858 924524002 /nfs/dbraw/zinc/52/40/02/924524002.db2.gz ACLWSVOIXRDZKZ-WOPDTQHZSA-N 1 1 317.361 -1.245 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001396437213 924526967 /nfs/dbraw/zinc/52/69/67/924526967.db2.gz VMKMTPSBQMFHGQ-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CNC(N)=O ZINC001396598668 924531703 /nfs/dbraw/zinc/53/17/03/924531703.db2.gz VUMZIVVJZPAGEE-OUAUKWLOSA-N 1 1 311.386 -1.146 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001396634172 924533750 /nfs/dbraw/zinc/53/37/50/924533750.db2.gz CBYBFLPQVYIFLU-CMPLNLGQSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CCNC(N)=O)C2)C1 ZINC001396748013 924539721 /nfs/dbraw/zinc/53/97/21/924539721.db2.gz NBGJJOCBWGHJHX-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001396916662 924547789 /nfs/dbraw/zinc/54/77/89/924547789.db2.gz SUKRBVJOHOSPPK-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1ncn(C)c1=O ZINC001397003711 924552522 /nfs/dbraw/zinc/55/25/22/924552522.db2.gz XIIKLSLOKJFEKZ-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1ncn(C)c1=O ZINC001397003708 924552597 /nfs/dbraw/zinc/55/25/97/924552597.db2.gz XIIKLSLOKJFEKZ-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cn1ncn2nccc2c1=O ZINC001397038931 924554368 /nfs/dbraw/zinc/55/43/68/924554368.db2.gz OJHFWDKCQGXEIJ-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)CCNC(N)=O ZINC001397025658 924554395 /nfs/dbraw/zinc/55/43/95/924554395.db2.gz DVQCNPCDQKZUHF-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)CCNC(N)=O ZINC001397025658 924554402 /nfs/dbraw/zinc/55/44/02/924554402.db2.gz DVQCNPCDQKZUHF-NSHDSACASA-N 1 1 309.374 -1.131 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001397024450 924555112 /nfs/dbraw/zinc/55/51/12/924555112.db2.gz VCBOHDZRARYNSN-RYUDHWBXSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CNC(=O)Cn2ncnn2)C2CC2)C1 ZINC001397024441 924555177 /nfs/dbraw/zinc/55/51/77/924555177.db2.gz VCBOHDZRARYNSN-NWDGAFQWSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001397123757 924558878 /nfs/dbraw/zinc/55/88/78/924558878.db2.gz ATPZMKMFPGVYLB-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCOC2)n1 ZINC001397176036 924561014 /nfs/dbraw/zinc/56/10/14/924561014.db2.gz VYSJRGNPGXPRIB-MRVPVSSYSA-N 1 1 309.326 -1.590 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1C[C@H](O)COC ZINC001397195022 924562726 /nfs/dbraw/zinc/56/27/26/924562726.db2.gz KOZHZLWONJAPCU-GARJFASQSA-N 1 1 312.374 -1.200 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001397208678 924562939 /nfs/dbraw/zinc/56/29/39/924562939.db2.gz FRXGJXHCHOIYDP-VXGBXAGGSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001397208678 924562947 /nfs/dbraw/zinc/56/29/47/924562947.db2.gz FRXGJXHCHOIYDP-VXGBXAGGSA-N 1 1 315.370 -1.828 20 0 DAADMO COCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001397210216 924563697 /nfs/dbraw/zinc/56/36/97/924563697.db2.gz GOWMVOJZSGMUTL-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001397210216 924563704 /nfs/dbraw/zinc/56/37/04/924563704.db2.gz GOWMVOJZSGMUTL-GFCCVEGCSA-N 1 1 322.427 -1.037 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001397208662 924564066 /nfs/dbraw/zinc/56/40/66/924564066.db2.gz FRXGJXHCHOIYDP-NWDGAFQWSA-N 1 1 315.370 -1.828 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001397208662 924564071 /nfs/dbraw/zinc/56/40/71/924564071.db2.gz FRXGJXHCHOIYDP-NWDGAFQWSA-N 1 1 315.370 -1.828 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C ZINC001397243015 924564636 /nfs/dbraw/zinc/56/46/36/924564636.db2.gz OZKCJMYTMXUWIG-KOLCDFICSA-N 1 1 302.350 -1.213 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C ZINC001397243015 924564645 /nfs/dbraw/zinc/56/46/45/924564645.db2.gz OZKCJMYTMXUWIG-KOLCDFICSA-N 1 1 302.350 -1.213 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001397266429 924566482 /nfs/dbraw/zinc/56/64/82/924566482.db2.gz ABCGVVJEBMYNDV-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC001397323021 924569005 /nfs/dbraw/zinc/56/90/05/924569005.db2.gz HKFUATYIXKFOOU-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001397394715 924573327 /nfs/dbraw/zinc/57/33/27/924573327.db2.gz VRIDFWDJCVQSGT-NXEZZACHSA-N 1 1 305.400 -1.396 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001397404045 924574920 /nfs/dbraw/zinc/57/49/20/924574920.db2.gz UKNHLSLSWARQAH-QWRGUYRKSA-N 1 1 313.354 -1.174 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)C1=COCCO1 ZINC001397404045 924574928 /nfs/dbraw/zinc/57/49/28/924574928.db2.gz UKNHLSLSWARQAH-QWRGUYRKSA-N 1 1 313.354 -1.174 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397405113 924575676 /nfs/dbraw/zinc/57/56/76/924575676.db2.gz XHTMXOOUWFXWCE-SCZZXKLOSA-N 1 1 311.342 -1.057 20 0 DAADMO Cc1nonc1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397405113 924575683 /nfs/dbraw/zinc/57/56/83/924575683.db2.gz XHTMXOOUWFXWCE-SCZZXKLOSA-N 1 1 311.342 -1.057 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397423312 924577066 /nfs/dbraw/zinc/57/70/66/924577066.db2.gz IOKXATKKBUJTQW-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397423312 924577076 /nfs/dbraw/zinc/57/70/76/924577076.db2.gz IOKXATKKBUJTQW-ONGXEEELSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001397439721 924579127 /nfs/dbraw/zinc/57/91/27/924579127.db2.gz UVICEQVAGGYODG-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397430346 924579311 /nfs/dbraw/zinc/57/93/11/924579311.db2.gz UWEKOSAPNBAZGJ-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)CCNC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397430346 924579316 /nfs/dbraw/zinc/57/93/16/924579316.db2.gz UWEKOSAPNBAZGJ-VHSXEESVSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397430344 924579545 /nfs/dbraw/zinc/57/95/45/924579545.db2.gz UWEKOSAPNBAZGJ-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@H](CNC(=O)CCNC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397430344 924579550 /nfs/dbraw/zinc/57/95/50/924579550.db2.gz UWEKOSAPNBAZGJ-NXEZZACHSA-N 1 1 315.374 -2.004 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397457725 924580570 /nfs/dbraw/zinc/58/05/70/924580570.db2.gz WORLRZRXPYTCMP-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397457725 924580579 /nfs/dbraw/zinc/58/05/79/924580579.db2.gz WORLRZRXPYTCMP-UWVGGRQHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397457721 924580632 /nfs/dbraw/zinc/58/06/32/924580632.db2.gz WORLRZRXPYTCMP-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397457721 924580636 /nfs/dbraw/zinc/58/06/36/924580636.db2.gz WORLRZRXPYTCMP-NXEZZACHSA-N 1 1 311.346 -2.375 20 0 DAADMO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)NC(=O)Cn1ncnn1 ZINC001397481107 924582146 /nfs/dbraw/zinc/58/21/46/924582146.db2.gz ZXCLSXARYYFDEQ-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001397487552 924582927 /nfs/dbraw/zinc/58/29/27/924582927.db2.gz LKFMZZFQLNYFDJ-QWRGUYRKSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001397505691 924584188 /nfs/dbraw/zinc/58/41/88/924584188.db2.gz QKGCAZWNHYWTBA-SECBINFHSA-N 1 1 316.383 -1.143 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNC(=O)CNC(C)=O)CC[N@H+]1CCO ZINC001397737113 924596132 /nfs/dbraw/zinc/59/61/32/924596132.db2.gz BZPNIZVBGSHBDK-NWDGAFQWSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001397678566 924596675 /nfs/dbraw/zinc/59/66/75/924596675.db2.gz JNILZXGDWLYSFQ-VHSXEESVSA-N 1 1 324.389 -1.486 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](N(CCO)CC(N)=O)C1 ZINC001397756320 924598341 /nfs/dbraw/zinc/59/83/41/924598341.db2.gz STRUMNCYOXPMLE-CYBMUJFWSA-N 1 1 323.397 -1.038 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001397778252 924598412 /nfs/dbraw/zinc/59/84/12/924598412.db2.gz RIQYKYFWTIZFHK-AGIUHOORSA-N 1 1 324.385 -1.539 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001397746790 924598884 /nfs/dbraw/zinc/59/88/84/924598884.db2.gz GQXLHGXBQKKPHT-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001397746790 924598885 /nfs/dbraw/zinc/59/88/85/924598885.db2.gz GQXLHGXBQKKPHT-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001397765493 924598981 /nfs/dbraw/zinc/59/89/81/924598981.db2.gz KPEZWVFBFXJGAZ-ZJUUUORDSA-N 1 1 309.374 -1.071 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)CC[N@H+]1CCO ZINC001397757326 924599431 /nfs/dbraw/zinc/59/94/31/924599431.db2.gz PRXMEPVRMZNANZ-GARJFASQSA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001397787876 924600560 /nfs/dbraw/zinc/60/05/60/924600560.db2.gz SQWSAGAPEJVYST-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001397787876 924600566 /nfs/dbraw/zinc/60/05/66/924600566.db2.gz SQWSAGAPEJVYST-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001397780507 924600745 /nfs/dbraw/zinc/60/07/45/924600745.db2.gz JAGFHSWAWBNCQF-AGIUHOORSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001397791030 924600760 /nfs/dbraw/zinc/60/07/60/924600760.db2.gz SOYNULQVYVZFKZ-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001397791030 924600763 /nfs/dbraw/zinc/60/07/63/924600763.db2.gz SOYNULQVYVZFKZ-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO CC(=O)NCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001397817340 924601374 /nfs/dbraw/zinc/60/13/74/924601374.db2.gz UVZUCYAWLUKYPP-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO CC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001397846904 924602347 /nfs/dbraw/zinc/60/23/47/924602347.db2.gz INNLHBQMKNLBJE-LLVKDONJSA-N 1 1 300.359 -1.972 20 0 DAADMO CC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001397846904 924602359 /nfs/dbraw/zinc/60/23/59/924602359.db2.gz INNLHBQMKNLBJE-LLVKDONJSA-N 1 1 300.359 -1.972 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1ccnn1C ZINC001397875036 924606471 /nfs/dbraw/zinc/60/64/71/924606471.db2.gz AGNPBWOBNSPMCD-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1ccnn1C ZINC001397875036 924606475 /nfs/dbraw/zinc/60/64/75/924606475.db2.gz AGNPBWOBNSPMCD-LBPRGKRZSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)C1=COCCO1 ZINC001397881881 924606898 /nfs/dbraw/zinc/60/68/98/924606898.db2.gz IIIMPLXHGHPYEB-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)C1=COCCO1 ZINC001397881881 924606908 /nfs/dbraw/zinc/60/69/08/924606908.db2.gz IIIMPLXHGHPYEB-LLVKDONJSA-N 1 1 313.354 -1.220 20 0 DAADMO CCC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001397890973 924608290 /nfs/dbraw/zinc/60/82/90/924608290.db2.gz XLIKBRHIRZQXOU-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001397890973 924608298 /nfs/dbraw/zinc/60/82/98/924608298.db2.gz XLIKBRHIRZQXOU-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@H](CC(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(N)=O ZINC001397907699 924609979 /nfs/dbraw/zinc/60/99/79/924609979.db2.gz FBWUCOFNBYLWLQ-MNOVXSKESA-N 1 1 313.402 -1.040 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(=O)n(C)n1 ZINC001397925160 924613547 /nfs/dbraw/zinc/61/35/47/924613547.db2.gz BJUWGVLPSHTDRL-LLVKDONJSA-N 1 1 321.381 -1.080 20 0 DAADMO COC(=O)NCC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001397925938 924613595 /nfs/dbraw/zinc/61/35/95/924613595.db2.gz GCPUTWCQXYBFKF-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(=O)n(C)n1 ZINC001397925162 924613615 /nfs/dbraw/zinc/61/36/15/924613615.db2.gz BJUWGVLPSHTDRL-NSHDSACASA-N 1 1 321.381 -1.080 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CNC(=O)NC ZINC001398036887 924621396 /nfs/dbraw/zinc/62/13/96/924621396.db2.gz CUJLVWVGQBOWJZ-UHFFFAOYSA-N 1 1 301.391 -1.168 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)Cn2ncnn2)C1 ZINC001398037132 924621920 /nfs/dbraw/zinc/62/19/20/924621920.db2.gz BDWLJACXFYYGFT-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CNC(N)=O)C1 ZINC001398165695 924627560 /nfs/dbraw/zinc/62/75/60/924627560.db2.gz DHNDJUOJHAIUAH-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001398242038 924629572 /nfs/dbraw/zinc/62/95/72/924629572.db2.gz ZOKBDLYVQSSAFX-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001398242038 924629579 /nfs/dbraw/zinc/62/95/79/924629579.db2.gz ZOKBDLYVQSSAFX-BDAKNGLRSA-N 1 1 321.403 -2.505 20 0 DAADMO C[C@H](O)C[NH+]1CCN(CCNC(=O)CCc2nc[nH]n2)CC1 ZINC001398278870 924634179 /nfs/dbraw/zinc/63/41/79/924634179.db2.gz MPQKGJZIGWHHGV-LBPRGKRZSA-N 1 1 310.402 -1.148 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001398283380 924634464 /nfs/dbraw/zinc/63/44/64/924634464.db2.gz BVRHERLDRNOWGK-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001398319928 924636096 /nfs/dbraw/zinc/63/60/96/924636096.db2.gz BBZXIHUBPQJXSO-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001398319928 924636102 /nfs/dbraw/zinc/63/61/02/924636102.db2.gz BBZXIHUBPQJXSO-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398300433 924636491 /nfs/dbraw/zinc/63/64/91/924636491.db2.gz KDAZHEDQIPCBDK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001398300433 924636497 /nfs/dbraw/zinc/63/64/97/924636497.db2.gz KDAZHEDQIPCBDK-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001398315729 924636812 /nfs/dbraw/zinc/63/68/12/924636812.db2.gz MTYWWGNDQKUNFR-NSHDSACASA-N 1 1 322.431 -1.344 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001398298828 924636905 /nfs/dbraw/zinc/63/69/05/924636905.db2.gz UGGTYADQTXEQMU-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001398298828 924636911 /nfs/dbraw/zinc/63/69/11/924636911.db2.gz UGGTYADQTXEQMU-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001398335250 924637702 /nfs/dbraw/zinc/63/77/02/924637702.db2.gz VCTFNCHPIOTOGS-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338959 924638598 /nfs/dbraw/zinc/63/85/98/924638598.db2.gz ORDQJMNHIKVPEA-UWVGGRQHSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001398338959 924638601 /nfs/dbraw/zinc/63/86/01/924638601.db2.gz ORDQJMNHIKVPEA-UWVGGRQHSA-N 1 1 322.369 -1.013 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 ZINC001398399407 924640287 /nfs/dbraw/zinc/64/02/87/924640287.db2.gz KRRKNCLCBKMEMJ-WDEREUQCSA-N 1 1 308.342 -1.092 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@H]([NH2+]Cc1nnnn1C)C1CC1 ZINC001398437745 924642632 /nfs/dbraw/zinc/64/26/32/924642632.db2.gz KPKHLTIFNWXXSC-SCZZXKLOSA-N 1 1 309.374 -1.294 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001398436928 924642753 /nfs/dbraw/zinc/64/27/53/924642753.db2.gz OMMPESGWJOOXAA-MNOVXSKESA-N 1 1 321.385 -1.036 20 0 DAADMO O=C(NC[C@H]([NH2+]Cc1cnon1)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001398441332 924642802 /nfs/dbraw/zinc/64/28/02/924642802.db2.gz PNRPPWVOZJTSOW-UWVGGRQHSA-N 1 1 322.325 -1.348 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398558340 924649680 /nfs/dbraw/zinc/64/96/80/924649680.db2.gz HDHURTARKZHUQW-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CS(C)(=O)=O)C2)C1 ZINC001398558340 924649686 /nfs/dbraw/zinc/64/96/86/924649686.db2.gz HDHURTARKZHUQW-SNVBAGLBSA-N 1 1 317.411 -1.300 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)C3(NC(N)=O)CC3)C2)C1 ZINC001398581592 924653040 /nfs/dbraw/zinc/65/30/40/924653040.db2.gz AVJIZAFIQPCSBP-JTQLQIEISA-N 1 1 323.397 -1.144 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2(NC(N)=O)CC2)C1 ZINC001398588761 924654560 /nfs/dbraw/zinc/65/45/60/924654560.db2.gz NDGCHEUKFPQNNF-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398621580 924657354 /nfs/dbraw/zinc/65/73/54/924657354.db2.gz JENSESXMGHYYOW-AXFHLTTASA-N 1 1 311.386 -1.098 20 0 DAADMO Cn1nnc(CN[C@H]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001398642139 924659546 /nfs/dbraw/zinc/65/95/46/924659546.db2.gz LHPPTLCHZIBSPT-TXEJJXNPSA-N 1 1 323.401 -1.331 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001398639834 924660084 /nfs/dbraw/zinc/66/00/84/924660084.db2.gz QKTGXDNCHDCFDB-GXSJLCMTSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)NCCC(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001398641365 924660162 /nfs/dbraw/zinc/66/01/62/924660162.db2.gz USOCDFDVDJGYKQ-UHFFFAOYSA-N 1 1 322.369 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COC)C1 ZINC001398664997 924661043 /nfs/dbraw/zinc/66/10/43/924661043.db2.gz QAIMTECHEJURDV-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)COC)C1 ZINC001398664997 924661049 /nfs/dbraw/zinc/66/10/49/924661049.db2.gz QAIMTECHEJURDV-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001398689033 924662529 /nfs/dbraw/zinc/66/25/29/924662529.db2.gz LNCIWJWCWFKEMR-MNOVXSKESA-N 1 1 312.374 -1.341 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001398684144 924662870 /nfs/dbraw/zinc/66/28/70/924662870.db2.gz XKFOCZDDOACONO-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001398684144 924662881 /nfs/dbraw/zinc/66/28/81/924662881.db2.gz XKFOCZDDOACONO-SECBINFHSA-N 1 1 323.357 -1.548 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001398666663 924662925 /nfs/dbraw/zinc/66/29/25/924662925.db2.gz IBDHZZKQGGPQEA-SNVBAGLBSA-N 1 1 323.357 -1.699 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001398666663 924662930 /nfs/dbraw/zinc/66/29/30/924662930.db2.gz IBDHZZKQGGPQEA-SNVBAGLBSA-N 1 1 323.357 -1.699 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001398676957 924663136 /nfs/dbraw/zinc/66/31/36/924663136.db2.gz XMRSQMDXXZVOEY-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001398669397 924663330 /nfs/dbraw/zinc/66/33/30/924663330.db2.gz YFSQRBLNMLXWMD-SNVBAGLBSA-N 1 1 313.358 -1.854 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001398669397 924663333 /nfs/dbraw/zinc/66/33/33/924663333.db2.gz YFSQRBLNMLXWMD-SNVBAGLBSA-N 1 1 313.358 -1.854 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001398665926 924663699 /nfs/dbraw/zinc/66/36/99/924663699.db2.gz GNTWYLRPHPUBSK-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001398665923 924663877 /nfs/dbraw/zinc/66/38/77/924663877.db2.gz GNTWYLRPHPUBSK-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398713858 924666304 /nfs/dbraw/zinc/66/63/04/924666304.db2.gz VKADAABYEKYRHX-LLVKDONJSA-N 1 1 324.385 -1.355 20 0 DAADMO Cn1cnnc1COCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398713858 924666309 /nfs/dbraw/zinc/66/63/09/924666309.db2.gz VKADAABYEKYRHX-LLVKDONJSA-N 1 1 324.385 -1.355 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3cccn3)C2)C1 ZINC001398715296 924666746 /nfs/dbraw/zinc/66/67/46/924666746.db2.gz NXBJVQFKIKYPEU-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)Cn3cccn3)C2)C1 ZINC001398715296 924666758 /nfs/dbraw/zinc/66/67/58/924666758.db2.gz NXBJVQFKIKYPEU-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001398733945 924668238 /nfs/dbraw/zinc/66/82/38/924668238.db2.gz AJCLEYAGESYHFL-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3cc[nH]n3)C2)C1 ZINC001398733945 924668243 /nfs/dbraw/zinc/66/82/43/924668243.db2.gz AJCLEYAGESYHFL-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001398770361 924669691 /nfs/dbraw/zinc/66/96/91/924669691.db2.gz MVMLDRSIGZBJNN-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001398756968 924670169 /nfs/dbraw/zinc/67/01/69/924670169.db2.gz NXVHIJSRHUTRFZ-UHFFFAOYSA-N 1 1 309.374 -1.412 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001398798277 924673729 /nfs/dbraw/zinc/67/37/29/924673729.db2.gz YXHNSOWISGFGLL-HHHUOAJASA-N 1 1 323.397 -1.290 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cnn(C)c1N)c1nnnn1C ZINC001398901068 924677291 /nfs/dbraw/zinc/67/72/91/924677291.db2.gz DKJRRAMTCFGMHN-JGVFFNPUSA-N 1 1 307.362 -1.005 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911048 924677628 /nfs/dbraw/zinc/67/76/28/924677628.db2.gz HISAWCSHKVRZGE-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001398911048 924677633 /nfs/dbraw/zinc/67/76/33/924677633.db2.gz HISAWCSHKVRZGE-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001398921810 924678887 /nfs/dbraw/zinc/67/88/87/924678887.db2.gz YAUGRJDKFQABGV-VHSXEESVSA-N 1 1 309.374 -1.071 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cn(C)nn2)nn1 ZINC001398926135 924679095 /nfs/dbraw/zinc/67/90/95/924679095.db2.gz RCWMOUMNCITNLC-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001398921806 924679325 /nfs/dbraw/zinc/67/93/25/924679325.db2.gz YAUGRJDKFQABGV-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001398950489 924680655 /nfs/dbraw/zinc/68/06/55/924680655.db2.gz JUCYZGGDBXHSTP-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001398943405 924681258 /nfs/dbraw/zinc/68/12/58/924681258.db2.gz CTZABPMDAXNSHH-VHSXEESVSA-N 1 1 310.358 -1.335 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001398951844 924681379 /nfs/dbraw/zinc/68/13/79/924681379.db2.gz FFBCLSLJLLCSLF-DTWKUNHWSA-N 1 1 322.373 -1.136 20 0 DAADMO C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C)S(C)(=O)=O ZINC001398949442 924681419 /nfs/dbraw/zinc/68/14/19/924681419.db2.gz IEMXUYUPSFHFGB-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001398961266 924682595 /nfs/dbraw/zinc/68/25/95/924682595.db2.gz QXIXQLMIDDWTLB-QMMMGPOBSA-N 1 1 304.376 -1.596 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nccn1C ZINC001398989073 924683935 /nfs/dbraw/zinc/68/39/35/924683935.db2.gz GEMPOTAHWCGHDM-SNVBAGLBSA-N 1 1 320.353 -1.023 20 0 DAADMO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCNC(=O)C1 ZINC001399020106 924685028 /nfs/dbraw/zinc/68/50/28/924685028.db2.gz ISOBUJCBNRMYTA-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001398992352 924685081 /nfs/dbraw/zinc/68/50/81/924685081.db2.gz DETCEORFGGHQDS-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1coc(C)n1 ZINC001399029685 924686649 /nfs/dbraw/zinc/68/66/49/924686649.db2.gz PAQFUPYGTOTZNI-QMMMGPOBSA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1nnnn1C ZINC001399124701 924689389 /nfs/dbraw/zinc/68/93/89/924689389.db2.gz YYOONYIGZMKLLF-MRVPVSSYSA-N 1 1 306.330 -1.788 20 0 DAADMO C[C@H](CNC(=O)Cc1nc[nH]n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001399100496 924690088 /nfs/dbraw/zinc/69/00/88/924690088.db2.gz KWTZUYNDFSAJQZ-SECBINFHSA-N 1 1 320.357 -1.237 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1ncccn1 ZINC001399107011 924690193 /nfs/dbraw/zinc/69/01/93/924690193.db2.gz KVQUGBHMTCKWIQ-VIFPVBQESA-N 1 1 301.372 -1.380 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001399161636 924692108 /nfs/dbraw/zinc/69/21/08/924692108.db2.gz LQXGUIGOALIGGB-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001399243784 924693042 /nfs/dbraw/zinc/69/30/42/924693042.db2.gz BBIAJFGCPJJVNR-WDEREUQCSA-N 1 1 309.374 -1.137 20 0 DAADMO C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001399292902 924694870 /nfs/dbraw/zinc/69/48/70/924694870.db2.gz YYFXJCKJTARYMD-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001399282907 924695169 /nfs/dbraw/zinc/69/51/69/924695169.db2.gz IAFUBDRWHHSXOX-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001399282907 924695173 /nfs/dbraw/zinc/69/51/73/924695173.db2.gz IAFUBDRWHHSXOX-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO C[N@@H+](CCCO)[C@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001399292898 924695512 /nfs/dbraw/zinc/69/55/12/924695512.db2.gz YYFXJCKJTARYMD-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001399275433 924695702 /nfs/dbraw/zinc/69/57/02/924695702.db2.gz PBSSWZHNVHRVCI-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001399275433 924695710 /nfs/dbraw/zinc/69/57/10/924695710.db2.gz PBSSWZHNVHRVCI-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@@H]1CCNC(=O)CC1 ZINC001399478120 924703158 /nfs/dbraw/zinc/70/31/58/924703158.db2.gz ASGOGEASXWJGQN-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO Cc1c(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001399437560 924703334 /nfs/dbraw/zinc/70/33/34/924703334.db2.gz SUJWOFUUIWAKNS-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1c(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001399437560 924703341 /nfs/dbraw/zinc/70/33/41/924703341.db2.gz SUJWOFUUIWAKNS-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCN(C2CCC2)C1=O ZINC001399443790 924703857 /nfs/dbraw/zinc/70/38/57/924703857.db2.gz UMYKXTGLRDORQX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)[C@@H]1CCN(C2CCC2)C1=O ZINC001399443790 924703870 /nfs/dbraw/zinc/70/38/70/924703870.db2.gz UMYKXTGLRDORQX-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cc(C)ncn1 ZINC001399450234 924704059 /nfs/dbraw/zinc/70/40/59/924704059.db2.gz DXUMRXURWDTQLW-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)ncn1 ZINC001399450234 924704063 /nfs/dbraw/zinc/70/40/63/924704063.db2.gz DXUMRXURWDTQLW-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCN(C2CCC2)C1=O ZINC001399443807 924704250 /nfs/dbraw/zinc/70/42/50/924704250.db2.gz UMYKXTGLRDORQX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnnn1)[C@H]1CCN(C2CCC2)C1=O ZINC001399443807 924704253 /nfs/dbraw/zinc/70/42/53/924704253.db2.gz UMYKXTGLRDORQX-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)c1=O ZINC001399512942 924705786 /nfs/dbraw/zinc/70/57/86/924705786.db2.gz DJGFBNZLLADARD-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO Cn1cnn(CC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)c1=O ZINC001399512942 924705788 /nfs/dbraw/zinc/70/57/88/924705788.db2.gz DJGFBNZLLADARD-SNVBAGLBSA-N 1 1 310.358 -2.140 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001399512545 924705927 /nfs/dbraw/zinc/70/59/27/924705927.db2.gz LSDHXXWMGISQMM-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC001399512545 924705932 /nfs/dbraw/zinc/70/59/32/924705932.db2.gz LSDHXXWMGISQMM-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001399499695 924706448 /nfs/dbraw/zinc/70/64/48/924706448.db2.gz ZKZIYFODUZIQRG-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001399490137 924706475 /nfs/dbraw/zinc/70/64/75/924706475.db2.gz ZGMXTQMUFYSBTK-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001399490137 924706483 /nfs/dbraw/zinc/70/64/83/924706483.db2.gz ZGMXTQMUFYSBTK-SFYZADRCSA-N 1 1 315.330 -2.013 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001399499699 924706522 /nfs/dbraw/zinc/70/65/22/924706522.db2.gz ZKZIYFODUZIQRG-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCCNC1=O ZINC001399483737 924706549 /nfs/dbraw/zinc/70/65/49/924706549.db2.gz PSVHYLBOVPZRGT-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCCNC1=O ZINC001399483737 924706558 /nfs/dbraw/zinc/70/65/58/924706558.db2.gz PSVHYLBOVPZRGT-SECBINFHSA-N 1 1 323.357 -2.296 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CCNC1=O ZINC001399507335 924706895 /nfs/dbraw/zinc/70/68/95/924706895.db2.gz OZCHBSYPIPGEAJ-ZJUUUORDSA-N 1 1 322.369 -1.517 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CCNC1=O ZINC001399507335 924706901 /nfs/dbraw/zinc/70/69/01/924706901.db2.gz OZCHBSYPIPGEAJ-ZJUUUORDSA-N 1 1 322.369 -1.517 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001399487996 924707363 /nfs/dbraw/zinc/70/73/63/924707363.db2.gz MNLHFUZPVRXAFJ-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ncn(C)n1 ZINC001399487996 924707372 /nfs/dbraw/zinc/70/73/72/924707372.db2.gz MNLHFUZPVRXAFJ-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001399527925 924707969 /nfs/dbraw/zinc/70/79/69/924707969.db2.gz TXKSBKDTNGKFOR-VXGBXAGGSA-N 1 1 316.402 -1.168 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001399565793 924708476 /nfs/dbraw/zinc/70/84/76/924708476.db2.gz BZHLRHVSINBFSL-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001399565793 924708483 /nfs/dbraw/zinc/70/84/83/924708483.db2.gz BZHLRHVSINBFSL-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001399545969 924709437 /nfs/dbraw/zinc/70/94/37/924709437.db2.gz WHGCDBQQAZOJCA-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001399545969 924709444 /nfs/dbraw/zinc/70/94/44/924709444.db2.gz WHGCDBQQAZOJCA-NXEZZACHSA-N 1 1 322.356 -1.126 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399570308 924710165 /nfs/dbraw/zinc/71/01/65/924710165.db2.gz LWLNBHHDXAHZBB-MRVPVSSYSA-N 1 1 314.346 -2.439 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001399570308 924710176 /nfs/dbraw/zinc/71/01/76/924710176.db2.gz LWLNBHHDXAHZBB-MRVPVSSYSA-N 1 1 314.346 -2.439 20 0 DAADMO C[N@H+](CCNC(=O)c1cnc2cccnn21)CC(=O)NC(N)=O ZINC001399590481 924710896 /nfs/dbraw/zinc/71/08/96/924710896.db2.gz JZICMODTKMSTDF-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO C[N@@H+](CCNC(=O)c1cnc2cccnn21)CC(=O)NC(N)=O ZINC001399590481 924710904 /nfs/dbraw/zinc/71/09/04/924710904.db2.gz JZICMODTKMSTDF-UHFFFAOYSA-N 1 1 319.325 -1.414 20 0 DAADMO CN(CCNC(=O)CC[NH+]1CCOCC1)CCS(C)(=O)=O ZINC001399605614 924711005 /nfs/dbraw/zinc/71/10/05/924711005.db2.gz YZXAYFBYZIXFIO-UHFFFAOYSA-N 1 1 321.443 -1.199 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001399581666 924711026 /nfs/dbraw/zinc/71/10/26/924711026.db2.gz PFZMYNFLZFQGRE-WDEREUQCSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001399581666 924711034 /nfs/dbraw/zinc/71/10/34/924711034.db2.gz PFZMYNFLZFQGRE-WDEREUQCSA-N 1 1 323.401 -1.063 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001399570687 924711843 /nfs/dbraw/zinc/71/18/43/924711843.db2.gz SDSKADILHFBXPG-UHFFFAOYSA-N 1 1 312.378 -1.421 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001399584901 924712000 /nfs/dbraw/zinc/71/20/00/924712000.db2.gz HMYLBSVWTTWVTH-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001399584901 924712008 /nfs/dbraw/zinc/71/20/08/924712008.db2.gz HMYLBSVWTTWVTH-QMMMGPOBSA-N 1 1 311.342 -2.381 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001399581644 924712330 /nfs/dbraw/zinc/71/23/30/924712330.db2.gz PFZMYNFLZFQGRE-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001399581644 924712340 /nfs/dbraw/zinc/71/23/40/924712340.db2.gz PFZMYNFLZFQGRE-GHMZBOCLSA-N 1 1 323.401 -1.063 20 0 DAADMO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCOCC1 ZINC001399652347 924712919 /nfs/dbraw/zinc/71/29/19/924712919.db2.gz HVSKHRVIDICKHI-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO CO[C@@H](C)C[N@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001399651592 924713835 /nfs/dbraw/zinc/71/38/35/924713835.db2.gz FNLXLNGIADNRIE-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001399651592 924713841 /nfs/dbraw/zinc/71/38/41/924713841.db2.gz FNLXLNGIADNRIE-LBPRGKRZSA-N 1 1 321.443 -1.200 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001399652076 924714272 /nfs/dbraw/zinc/71/42/72/924714272.db2.gz TZCNVCCQOZZUPB-VIFPVBQESA-N 1 1 312.374 -1.927 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001399652076 924714281 /nfs/dbraw/zinc/71/42/81/924714281.db2.gz TZCNVCCQOZZUPB-VIFPVBQESA-N 1 1 312.374 -1.927 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+](C)CCF ZINC001399646457 924714692 /nfs/dbraw/zinc/71/46/92/924714692.db2.gz SEUPPTRTWZYFKW-SECBINFHSA-N 1 1 301.326 -1.805 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@@H+](C)CCF ZINC001399646457 924714701 /nfs/dbraw/zinc/71/47/01/924714701.db2.gz SEUPPTRTWZYFKW-SECBINFHSA-N 1 1 301.326 -1.805 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CCc1cncn1C ZINC001399643053 924714722 /nfs/dbraw/zinc/71/47/22/924714722.db2.gz DUUXJLYQERSDNU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CCc1cncn1C ZINC001399643053 924714730 /nfs/dbraw/zinc/71/47/30/924714730.db2.gz DUUXJLYQERSDNU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001399655285 924715119 /nfs/dbraw/zinc/71/51/19/924715119.db2.gz PBDWZAMZNLTDGQ-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C)[C@@H]2CCCNC2=O)n(C)c1=O ZINC001399656206 924715163 /nfs/dbraw/zinc/71/51/63/924715163.db2.gz FIIPJINBECHXIV-SNVBAGLBSA-N 1 1 309.370 -1.336 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)[C@@H]2CCCNC2=O)n(C)c1=O ZINC001399656206 924715170 /nfs/dbraw/zinc/71/51/70/924715170.db2.gz FIIPJINBECHXIV-SNVBAGLBSA-N 1 1 309.370 -1.336 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001399660175 924715324 /nfs/dbraw/zinc/71/53/24/924715324.db2.gz WLCWUICWDZBBAE-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001399660175 924715327 /nfs/dbraw/zinc/71/53/27/924715327.db2.gz WLCWUICWDZBBAE-RKDXNWHRSA-N 1 1 306.388 -2.139 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001399673353 924715416 /nfs/dbraw/zinc/71/54/16/924715416.db2.gz PYSYVSWALVMFKK-JTQLQIEISA-N 1 1 310.358 -1.334 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1nc[nH]n1 ZINC001399673353 924715422 /nfs/dbraw/zinc/71/54/22/924715422.db2.gz PYSYVSWALVMFKK-JTQLQIEISA-N 1 1 310.358 -1.334 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001399658984 924715538 /nfs/dbraw/zinc/71/55/38/924715538.db2.gz PEKJUGYQLVGERY-JTQLQIEISA-N 1 1 300.359 -1.607 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCCNC1=O ZINC001399656556 924716542 /nfs/dbraw/zinc/71/65/42/924716542.db2.gz JKDWHLXRYVOKJG-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCCNC1=O ZINC001399656556 924716550 /nfs/dbraw/zinc/71/65/50/924716550.db2.gz JKDWHLXRYVOKJG-ZJUUUORDSA-N 1 1 318.399 -1.995 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001399694437 924717899 /nfs/dbraw/zinc/71/78/99/924717899.db2.gz GKUIODMIOSUBGK-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(C)=O)[C@H](C)C(=O)NC(N)=O ZINC001399694437 924717909 /nfs/dbraw/zinc/71/79/09/924717909.db2.gz GKUIODMIOSUBGK-RKDXNWHRSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnnn1C)[C@H](C)C(=O)NC(N)=O ZINC001399697706 924718033 /nfs/dbraw/zinc/71/80/33/924718033.db2.gz ZPDNNMNTJSXHHS-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnnn1C)[C@H](C)C(=O)NC(N)=O ZINC001399697706 924718042 /nfs/dbraw/zinc/71/80/42/924718042.db2.gz ZPDNNMNTJSXHHS-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001399685460 924718398 /nfs/dbraw/zinc/71/83/98/924718398.db2.gz CZIIJECRAFZRDR-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCC(=O)NCC(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001399685460 924718409 /nfs/dbraw/zinc/71/84/09/924718409.db2.gz CZIIJECRAFZRDR-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnnn1C ZINC001399679155 924718643 /nfs/dbraw/zinc/71/86/43/924718643.db2.gz RTDDBPNGVKCULD-LBPRGKRZSA-N 1 1 324.385 -1.324 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnnn1C ZINC001399679155 924718648 /nfs/dbraw/zinc/71/86/48/924718648.db2.gz RTDDBPNGVKCULD-LBPRGKRZSA-N 1 1 324.385 -1.324 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCOCC1)CC(=O)N1CCC1 ZINC001399711292 924718686 /nfs/dbraw/zinc/71/86/86/924718686.db2.gz JVIIJCLERSGZLJ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCOCC1)CC(=O)N1CCC1 ZINC001399711292 924718690 /nfs/dbraw/zinc/71/86/90/924718690.db2.gz JVIIJCLERSGZLJ-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC[N@H+](CCNC(=O)C1CS(=O)(=O)C1)C[C@@H](O)COC ZINC001399720205 924719551 /nfs/dbraw/zinc/71/95/51/924719551.db2.gz GSPOWTYCBJVXND-LLVKDONJSA-N 1 1 308.400 -1.524 20 0 DAADMO CC[N@@H+](CCNC(=O)C1CS(=O)(=O)C1)C[C@@H](O)COC ZINC001399720205 924719553 /nfs/dbraw/zinc/71/95/53/924719553.db2.gz GSPOWTYCBJVXND-LLVKDONJSA-N 1 1 308.400 -1.524 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001399727085 924719595 /nfs/dbraw/zinc/71/95/95/924719595.db2.gz SYPZJLCCZBIMRQ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CC(=O)NC(N)=O ZINC001399727085 924719603 /nfs/dbraw/zinc/71/96/03/924719603.db2.gz SYPZJLCCZBIMRQ-SECBINFHSA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(CCOC)nn1)[C@@H]1CCNC1=O ZINC001399715704 924720023 /nfs/dbraw/zinc/72/00/23/924720023.db2.gz PHWRSLWGCWNBMI-GFCCVEGCSA-N 1 1 324.385 -1.135 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@@H]1CCNC1=O ZINC001399733290 924720082 /nfs/dbraw/zinc/72/00/82/924720082.db2.gz IYTSOIBYGVERGT-LLVKDONJSA-N 1 1 311.386 -2.255 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399755644 924723549 /nfs/dbraw/zinc/72/35/49/924723549.db2.gz FGAGLFBAAIKUIT-WDEREUQCSA-N 1 1 316.358 -2.954 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399755644 924723557 /nfs/dbraw/zinc/72/35/57/924723557.db2.gz FGAGLFBAAIKUIT-WDEREUQCSA-N 1 1 316.358 -2.954 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001399765060 924724131 /nfs/dbraw/zinc/72/41/31/924724131.db2.gz WUSIEPPTQLWHEY-UHFFFAOYSA-N 1 1 308.342 -1.679 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779576 924725976 /nfs/dbraw/zinc/72/59/76/924725976.db2.gz DBQKYVVKOSSESO-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1 ZINC001399779576 924725981 /nfs/dbraw/zinc/72/59/81/924725981.db2.gz DBQKYVVKOSSESO-ONGXEEELSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399783111 924727720 /nfs/dbraw/zinc/72/77/20/924727720.db2.gz MHPTTZQJUCAOID-RYUDHWBXSA-N 1 1 309.370 -1.572 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1ncc[nH]1)[C@@H](C)C(=O)NC(N)=O ZINC001399785457 924727845 /nfs/dbraw/zinc/72/78/45/924727845.db2.gz JPIPOKAULMBCSD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1ncc[nH]1)[C@@H](C)C(=O)NC(N)=O ZINC001399785457 924727854 /nfs/dbraw/zinc/72/78/54/924727854.db2.gz JPIPOKAULMBCSD-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cccn2)C1 ZINC001399795696 924731168 /nfs/dbraw/zinc/73/11/68/924731168.db2.gz JSDWLGFWJGEURX-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO CC[N@H+](CCNC(=O)c1cccc(C(=O)NC)n1)CC(N)=O ZINC001399802839 924733401 /nfs/dbraw/zinc/73/34/01/924733401.db2.gz FXSXSJMYMWXGHH-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cccc(C(=O)NC)n1)CC(N)=O ZINC001399802839 924733409 /nfs/dbraw/zinc/73/34/09/924733409.db2.gz FXSXSJMYMWXGHH-UHFFFAOYSA-N 1 1 307.354 -1.022 20 0 DAADMO Cc1ncncc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399801960 924734109 /nfs/dbraw/zinc/73/41/09/924734109.db2.gz PBXDHJIAQBCSDK-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO CC[N@H+](CCNC(=O)CS(=O)(=O)N(C)C)CC(=O)NC ZINC001399802780 924734214 /nfs/dbraw/zinc/73/42/14/924734214.db2.gz FFAGTTSQPAVOLS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC[N@@H+](CCNC(=O)CS(=O)(=O)N(C)C)CC(=O)NC ZINC001399802780 924734217 /nfs/dbraw/zinc/73/42/17/924734217.db2.gz FFAGTTSQPAVOLS-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001399809643 924736335 /nfs/dbraw/zinc/73/63/35/924736335.db2.gz ZUSRUYJHTSOVAI-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cncn1)[C@H](C)C(=O)NC(N)=O ZINC001399808091 924736809 /nfs/dbraw/zinc/73/68/09/924736809.db2.gz REPSXMTZELXSFR-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cncn1)[C@H](C)C(=O)NC(N)=O ZINC001399808091 924736817 /nfs/dbraw/zinc/73/68/17/924736817.db2.gz REPSXMTZELXSFR-SECBINFHSA-N 1 1 311.346 -1.700 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)[C@@H](C)C(=O)NC ZINC001399817534 924738822 /nfs/dbraw/zinc/73/88/22/924738822.db2.gz GXRSDUZBNBSSPY-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)[C@@H](C)C(=O)NC ZINC001399817534 924738835 /nfs/dbraw/zinc/73/88/35/924738835.db2.gz GXRSDUZBNBSSPY-JTQLQIEISA-N 1 1 311.386 -1.090 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1=O ZINC001399825561 924739743 /nfs/dbraw/zinc/73/97/43/924739743.db2.gz IZXWUOWESFEWCP-WDEREUQCSA-N 1 1 307.358 -1.468 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1cnnn1C ZINC001399823696 924740096 /nfs/dbraw/zinc/74/00/96/924740096.db2.gz HWFRTPBJKXSMRB-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCNS(C)(=O)=O ZINC001399831621 924741242 /nfs/dbraw/zinc/74/12/42/924741242.db2.gz VXALYVXUINOOHR-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844786 924743047 /nfs/dbraw/zinc/74/30/47/924743047.db2.gz SCAMQNFMHLZCPW-ZJUUUORDSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844786 924743049 /nfs/dbraw/zinc/74/30/49/924743049.db2.gz SCAMQNFMHLZCPW-ZJUUUORDSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001399844042 924743289 /nfs/dbraw/zinc/74/32/89/924743289.db2.gz CAFOOWKWODAFJA-VHSXEESVSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844775 924743514 /nfs/dbraw/zinc/74/35/14/924743514.db2.gz SCAMQNFMHLZCPW-VHSXEESVSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ncc[nH]2)C1 ZINC001399844775 924743518 /nfs/dbraw/zinc/74/35/18/924743518.db2.gz SCAMQNFMHLZCPW-VHSXEESVSA-N 1 1 311.342 -2.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnc[nH]c2=O)C1 ZINC001399844038 924743737 /nfs/dbraw/zinc/74/37/37/924743737.db2.gz CAFOOWKWODAFJA-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1 ZINC001399850803 924745039 /nfs/dbraw/zinc/74/50/39/924745039.db2.gz XMGFDBWCPWODDG-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001399851088 924746646 /nfs/dbraw/zinc/74/66/46/924746646.db2.gz DTHDMCQZVQEKQJ-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C(N)=O ZINC001399859230 924748376 /nfs/dbraw/zinc/74/83/76/924748376.db2.gz CATNQTABZYMFQP-RYUDHWBXSA-N 1 1 314.386 -1.671 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001399865531 924748650 /nfs/dbraw/zinc/74/86/50/924748650.db2.gz WVBMJUCTXSDNQO-GHMZBOCLSA-N 1 1 309.370 -1.421 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1C[C@@H](C)O ZINC001399861090 924749116 /nfs/dbraw/zinc/74/91/16/924749116.db2.gz CCWWKMCSASSNQJ-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870095 924749981 /nfs/dbraw/zinc/74/99/81/924749981.db2.gz IGEIENRETOUCDX-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001399870095 924749973 /nfs/dbraw/zinc/74/99/73/924749973.db2.gz IGEIENRETOUCDX-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO Cn1ccc(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001399865544 924750316 /nfs/dbraw/zinc/75/03/16/924750316.db2.gz WVBMJUCTXSDNQO-WDEREUQCSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001399872081 924750697 /nfs/dbraw/zinc/75/06/97/924750697.db2.gz RTHKRXRSMBREMZ-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nc[nH]n2)C1 ZINC001399869854 924750708 /nfs/dbraw/zinc/75/07/08/924750708.db2.gz FAKYNDYGSFYLQF-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869854 924750713 /nfs/dbraw/zinc/75/07/13/924750713.db2.gz FAKYNDYGSFYLQF-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cc2nnc[nH]2)C1 ZINC001399869854 924750716 /nfs/dbraw/zinc/75/07/16/924750716.db2.gz FAKYNDYGSFYLQF-MNOVXSKESA-N 1 1 324.385 -1.718 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001399890608 924753059 /nfs/dbraw/zinc/75/30/59/924753059.db2.gz HFKYOBLGSOEXOJ-WDEREUQCSA-N 1 1 313.402 -1.122 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399892836 924753498 /nfs/dbraw/zinc/75/34/98/924753498.db2.gz YUTXNGZRHUWDSS-QWRGUYRKSA-N 1 1 323.353 -1.937 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399889062 924753799 /nfs/dbraw/zinc/75/37/99/924753799.db2.gz DWSAOLXPALBVHC-VIFPVBQESA-N 1 1 323.357 -1.455 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001399889062 924753805 /nfs/dbraw/zinc/75/38/05/924753805.db2.gz DWSAOLXPALBVHC-VIFPVBQESA-N 1 1 323.357 -1.455 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001399890322 924753895 /nfs/dbraw/zinc/75/38/95/924753895.db2.gz DXKVBOCYFMDFFE-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnsn2)C1 ZINC001399888455 924753956 /nfs/dbraw/zinc/75/39/56/924753956.db2.gz CXMGRTDSCQFLQM-ZETCQYMHSA-N 1 1 312.355 -1.215 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cnsn2)C1 ZINC001399888455 924753964 /nfs/dbraw/zinc/75/39/64/924753964.db2.gz CXMGRTDSCQFLQM-ZETCQYMHSA-N 1 1 312.355 -1.215 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001399883807 924754149 /nfs/dbraw/zinc/75/41/49/924754149.db2.gz YLDIPWFTAGUFBH-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001399883801 924754182 /nfs/dbraw/zinc/75/41/82/924754182.db2.gz YLDIPWFTAGUFBH-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001399888500 924754201 /nfs/dbraw/zinc/75/42/01/924754201.db2.gz CSRMYONBKOSNMT-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)Cn3cnnn3)C2)C1=O ZINC001399890314 924754275 /nfs/dbraw/zinc/75/42/75/924754275.db2.gz DXKVBOCYFMDFFE-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399901755 924755155 /nfs/dbraw/zinc/75/51/55/924755155.db2.gz SCRXSWWJBNAWKA-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001399902428 924755219 /nfs/dbraw/zinc/75/52/19/924755219.db2.gz URGSLILRGMZPCZ-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001399900035 924755458 /nfs/dbraw/zinc/75/54/58/924755458.db2.gz QEPLYDPMIQKCMT-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)nn1 ZINC001399900035 924755471 /nfs/dbraw/zinc/75/54/71/924755471.db2.gz QEPLYDPMIQKCMT-MRVPVSSYSA-N 1 1 309.330 -1.938 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001399905659 924755799 /nfs/dbraw/zinc/75/57/99/924755799.db2.gz XVNQCKAHGWXKNN-PGUXBMHVSA-N 1 1 324.381 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001399905668 924756001 /nfs/dbraw/zinc/75/60/01/924756001.db2.gz XVNQCKAHGWXKNN-ZETOZRRWSA-N 1 1 324.381 -1.083 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001399902609 924756143 /nfs/dbraw/zinc/75/61/43/924756143.db2.gz UUSRGJOVUXDBTH-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001399893883 924756524 /nfs/dbraw/zinc/75/65/24/924756524.db2.gz GAUBCBRWJAUYGA-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001399893883 924756532 /nfs/dbraw/zinc/75/65/32/924756532.db2.gz GAUBCBRWJAUYGA-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399903317 924756820 /nfs/dbraw/zinc/75/68/20/924756820.db2.gz PMHCIMJNEHEABN-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO C[C@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001399927422 924757673 /nfs/dbraw/zinc/75/76/73/924757673.db2.gz OWGDUXLHMYDQEX-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001399927422 924757678 /nfs/dbraw/zinc/75/76/78/924757678.db2.gz OWGDUXLHMYDQEX-DGCLKSJQSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399919947 924757833 /nfs/dbraw/zinc/75/78/33/924757833.db2.gz BCHXZBSQWQVKFG-RKDXNWHRSA-N 1 1 306.388 -2.153 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCCS(N)(=O)=O)C1 ZINC001399929409 924759402 /nfs/dbraw/zinc/75/94/02/924759402.db2.gz KSYVEJOEMRHHNR-QWRGUYRKSA-N 1 1 307.416 -1.126 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001399946709 924760405 /nfs/dbraw/zinc/76/04/05/924760405.db2.gz QISGFSLDXAIAGC-WDEREUQCSA-N 1 1 302.375 -1.510 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001399929490 924760471 /nfs/dbraw/zinc/76/04/71/924760471.db2.gz WXZZSMIGLFLGBY-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001399929490 924760482 /nfs/dbraw/zinc/76/04/82/924760482.db2.gz WXZZSMIGLFLGBY-GRYCIOLGSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399973667 924761783 /nfs/dbraw/zinc/76/17/83/924761783.db2.gz OFVCIIFGQQTBOF-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)CN1CCOCC1)C1CC1 ZINC001400000890 924762668 /nfs/dbraw/zinc/76/26/68/924762668.db2.gz UAXVECWNDQOABT-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)CN1CCOCC1)C1CC1 ZINC001400000890 924762673 /nfs/dbraw/zinc/76/26/73/924762673.db2.gz UAXVECWNDQOABT-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO NC(=O)NC(=O)C[N@H+](CCNC(=O)C1=COCCO1)C1CC1 ZINC001399990671 924762827 /nfs/dbraw/zinc/76/28/27/924762827.db2.gz YRHROMFKNSWZTB-UHFFFAOYSA-N 1 1 312.326 -1.350 20 0 DAADMO NC(=O)NC(=O)C[N@@H+](CCNC(=O)C1=COCCO1)C1CC1 ZINC001399990671 924762831 /nfs/dbraw/zinc/76/28/31/924762831.db2.gz YRHROMFKNSWZTB-UHFFFAOYSA-N 1 1 312.326 -1.350 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001400008758 924764884 /nfs/dbraw/zinc/76/48/84/924764884.db2.gz QIOHOLADXYFTAK-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cnnn1C)C1CC1 ZINC001400008758 924764889 /nfs/dbraw/zinc/76/48/89/924764889.db2.gz QIOHOLADXYFTAK-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001400032463 924764945 /nfs/dbraw/zinc/76/49/45/924764945.db2.gz GUDNFHYIWMSUFF-IUCAKERBSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001400032463 924764956 /nfs/dbraw/zinc/76/49/56/924764956.db2.gz GUDNFHYIWMSUFF-IUCAKERBSA-N 1 1 320.415 -1.622 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC[N@@H+](CCn1cncn1)C1CC1 ZINC001400013467 924765136 /nfs/dbraw/zinc/76/51/36/924765136.db2.gz OYRWVBMBLXIAOE-JTQLQIEISA-N 1 1 309.374 -1.085 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1ccn2nnnc2c1)C1CC1 ZINC001400017584 924765422 /nfs/dbraw/zinc/76/54/22/924765422.db2.gz NTADEIOYDSQUKD-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1ccn2nnnc2c1)C1CC1 ZINC001400017584 924765431 /nfs/dbraw/zinc/76/54/31/924765431.db2.gz NTADEIOYDSQUKD-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO CC(C)[N@@H+](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1CC1 ZINC001400006931 924765815 /nfs/dbraw/zinc/76/58/15/924765815.db2.gz LOYSUVARSYWBSV-NSHDSACASA-N 1 1 317.411 -1.111 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001400007770 924765914 /nfs/dbraw/zinc/76/59/14/924765914.db2.gz RLLGPKXEQHVBFZ-LBPRGKRZSA-N 1 1 324.381 -1.018 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C1CC1 ZINC001400033535 924766133 /nfs/dbraw/zinc/76/61/33/924766133.db2.gz PFYZBWMFYLBWGT-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CCNC1=O)c1nnnn1C ZINC001400061565 924768787 /nfs/dbraw/zinc/76/87/87/924768787.db2.gz VPESYRPRMPKXBT-UWVGGRQHSA-N 1 1 309.374 -1.155 20 0 DAADMO O=C(Cn1cnnn1)NCC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001400154192 924773708 /nfs/dbraw/zinc/77/37/08/924773708.db2.gz VRZYNFFINHXHTD-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001400203076 924777506 /nfs/dbraw/zinc/77/75/06/924777506.db2.gz HNTKQDKAXYEJTH-JTQLQIEISA-N 1 1 319.427 -1.008 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001400212695 924779023 /nfs/dbraw/zinc/77/90/23/924779023.db2.gz FTGRXPYMAVLTNM-MNOVXSKESA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001400228511 924779261 /nfs/dbraw/zinc/77/92/61/924779261.db2.gz HHBWQXGRYPCKSK-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](C)O)C1 ZINC001400245286 924781360 /nfs/dbraw/zinc/78/13/60/924781360.db2.gz GQHFFZUKGWFCBM-WDEREUQCSA-N 1 1 307.416 -1.303 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](C)O)C1 ZINC001400238545 924781825 /nfs/dbraw/zinc/78/18/25/924781825.db2.gz YGSKFCZQVPSELF-MNOVXSKESA-N 1 1 322.431 -1.799 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233945 924781850 /nfs/dbraw/zinc/78/18/50/924781850.db2.gz QNRILDURNQWJNE-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233945 924781856 /nfs/dbraw/zinc/78/18/56/924781856.db2.gz QNRILDURNQWJNE-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001400233945 924781866 /nfs/dbraw/zinc/78/18/66/924781866.db2.gz QNRILDURNQWJNE-VIFPVBQESA-N 1 1 323.357 -1.298 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001400229190 924781964 /nfs/dbraw/zinc/78/19/64/924781964.db2.gz LOONPUNFWOTELL-GFCCVEGCSA-N 1 1 323.401 -1.068 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001400260007 924782488 /nfs/dbraw/zinc/78/24/88/924782488.db2.gz QFVUBKZIMDQSNE-WPRPVWTQSA-N 1 1 310.358 -1.131 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001400291572 924784568 /nfs/dbraw/zinc/78/45/68/924784568.db2.gz FOTLXVKAZAERKH-LBPRGKRZSA-N 1 1 314.386 -1.798 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001400279585 924784589 /nfs/dbraw/zinc/78/45/89/924784589.db2.gz XLZDUMKSTCYLOJ-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(CC(=O)NC(N)=O)C1 ZINC001400294106 924786499 /nfs/dbraw/zinc/78/64/99/924786499.db2.gz XLZDUMKSTCYLOJ-NSHDSACASA-N 1 1 322.369 -1.033 20 0 DAADMO CN(CC1CC1)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400338155 924788865 /nfs/dbraw/zinc/78/88/65/924788865.db2.gz KADHZZLEBFWVCK-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(CC1CC1)C(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400338155 924788869 /nfs/dbraw/zinc/78/88/69/924788869.db2.gz KADHZZLEBFWVCK-CQSZACIVSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001400340066 924789314 /nfs/dbraw/zinc/78/93/14/924789314.db2.gz MSCWJERWOOABAS-LLVKDONJSA-N 1 1 320.415 -2.333 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001400340066 924789318 /nfs/dbraw/zinc/78/93/18/924789318.db2.gz MSCWJERWOOABAS-LLVKDONJSA-N 1 1 320.415 -2.333 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001400376931 924793385 /nfs/dbraw/zinc/79/33/85/924793385.db2.gz GLSQIJJGKKHIFS-VIFPVBQESA-N 1 1 308.342 -1.425 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001400428202 924798344 /nfs/dbraw/zinc/79/83/44/924798344.db2.gz QAQQYCVTHIVJRJ-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN1C(=O)c1nnn(C)n1 ZINC001400450251 924800772 /nfs/dbraw/zinc/80/07/72/924800772.db2.gz KVYZANINJKPYMR-SNVBAGLBSA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001400514731 924806714 /nfs/dbraw/zinc/80/67/14/924806714.db2.gz RKDYFKIBUKJSOA-SNVBAGLBSA-N 1 1 311.386 -1.416 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C)C1 ZINC001400567434 924812135 /nfs/dbraw/zinc/81/21/35/924812135.db2.gz KMEBWZUKFLXODN-CYDGBPFRSA-N 1 1 311.382 -1.243 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001400560883 924812605 /nfs/dbraw/zinc/81/26/05/924812605.db2.gz GCHZAVQRWNBUAB-VIFPVBQESA-N 1 1 324.385 -1.927 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001400562443 924812715 /nfs/dbraw/zinc/81/27/15/924812715.db2.gz PADVZHWJFFEPOJ-SECBINFHSA-N 1 1 320.415 -1.940 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)Cn2cncn2)C1)C1CC1 ZINC001400582947 924814410 /nfs/dbraw/zinc/81/44/10/924814410.db2.gz XDLXXNAKZCVUKX-UHFFFAOYSA-N 1 1 306.370 -1.053 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc(C)[nH]1 ZINC001400572721 924814433 /nfs/dbraw/zinc/81/44/33/924814433.db2.gz WFSOSVIUYSHNAG-SDDRHHMPSA-N 1 1 309.370 -1.052 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H](C)O ZINC001400589945 924816093 /nfs/dbraw/zinc/81/60/93/924816093.db2.gz JPRSUPVUHNMKAB-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H](C)O ZINC001400589945 924816098 /nfs/dbraw/zinc/81/60/98/924816098.db2.gz JPRSUPVUHNMKAB-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001400605849 924816155 /nfs/dbraw/zinc/81/61/55/924816155.db2.gz QCNISRDODZCKOS-XQQFMLRXSA-N 1 1 301.387 -1.485 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)Cn3nccn3)CC2)C1 ZINC001400584756 924817111 /nfs/dbraw/zinc/81/71/11/924817111.db2.gz XGEKLBCLMXFWIL-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400622363 924817401 /nfs/dbraw/zinc/81/74/01/924817401.db2.gz XHTITVIXGNTYDC-BDAKNGLRSA-N 1 1 321.403 -2.635 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001400622363 924817405 /nfs/dbraw/zinc/81/74/05/924817405.db2.gz XHTITVIXGNTYDC-BDAKNGLRSA-N 1 1 321.403 -2.635 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001400621037 924817884 /nfs/dbraw/zinc/81/78/84/924817884.db2.gz ODXUDBLSJWHLSX-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001400621037 924817889 /nfs/dbraw/zinc/81/78/89/924817889.db2.gz ODXUDBLSJWHLSX-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001400615234 924818658 /nfs/dbraw/zinc/81/86/58/924818658.db2.gz VBBANXNQJDBIFK-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001400654734 924821536 /nfs/dbraw/zinc/82/15/36/924821536.db2.gz VJHVXZBHPPHNLT-GHMZBOCLSA-N 1 1 323.415 -1.747 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001400661638 924821932 /nfs/dbraw/zinc/82/19/32/924821932.db2.gz QRELPPZJRMSDJE-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001400661664 924822118 /nfs/dbraw/zinc/82/21/18/924822118.db2.gz QRELPPZJRMSDJE-WDEREUQCSA-N 1 1 323.397 -1.225 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001400661615 924822782 /nfs/dbraw/zinc/82/27/82/924822782.db2.gz QRELPPZJRMSDJE-MNOVXSKESA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400696051 924823775 /nfs/dbraw/zinc/82/37/75/924823775.db2.gz GQNNKRNWHNRZJB-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400696051 924823784 /nfs/dbraw/zinc/82/37/84/924823784.db2.gz GQNNKRNWHNRZJB-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001400696061 924824712 /nfs/dbraw/zinc/82/47/12/924824712.db2.gz GQNNKRNWHNRZJB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001400696061 924824718 /nfs/dbraw/zinc/82/47/18/924824718.db2.gz GQNNKRNWHNRZJB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721383 924825928 /nfs/dbraw/zinc/82/59/28/924825928.db2.gz MOYDMSMDNMUKAQ-KKJSVHSVSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721383 924825935 /nfs/dbraw/zinc/82/59/35/924825935.db2.gz MOYDMSMDNMUKAQ-KKJSVHSVSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721406 924826193 /nfs/dbraw/zinc/82/61/93/924826193.db2.gz MOYDMSMDNMUKAQ-LVEVGFFFSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001400721406 924826206 /nfs/dbraw/zinc/82/62/06/924826206.db2.gz MOYDMSMDNMUKAQ-LVEVGFFFSA-N 1 1 324.381 -1.005 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001400715503 924826285 /nfs/dbraw/zinc/82/62/85/924826285.db2.gz AJTFUHHYNRWYDE-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001400715503 924826294 /nfs/dbraw/zinc/82/62/94/924826294.db2.gz AJTFUHHYNRWYDE-VHSXEESVSA-N 1 1 320.415 -1.797 20 0 DAADMO CN(C(=O)C1(NC(N)=O)CC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400722781 924826489 /nfs/dbraw/zinc/82/64/89/924826489.db2.gz BGWXIOUFVVYYQR-JTQLQIEISA-N 1 1 323.397 -1.192 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001400715501 924826728 /nfs/dbraw/zinc/82/67/28/924826728.db2.gz AJTFUHHYNRWYDE-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001400715501 924826738 /nfs/dbraw/zinc/82/67/38/924826738.db2.gz AJTFUHHYNRWYDE-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001400742037 924827966 /nfs/dbraw/zinc/82/79/66/924827966.db2.gz RWFYDEVCEOQKMD-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001400729378 924828462 /nfs/dbraw/zinc/82/84/62/924828462.db2.gz BNTJMPKICRHZGY-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001400729378 924828470 /nfs/dbraw/zinc/82/84/70/924828470.db2.gz BNTJMPKICRHZGY-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001400782152 924831473 /nfs/dbraw/zinc/83/14/73/924831473.db2.gz ZFGVGODUVNTCFF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001400782152 924831475 /nfs/dbraw/zinc/83/14/75/924831475.db2.gz ZFGVGODUVNTCFF-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[C@H](CNC(=O)CNC(=O)NC)[NH2+][C@H](C)c1nnnn1C ZINC001400806562 924831672 /nfs/dbraw/zinc/83/16/72/924831672.db2.gz UJPGMPXZNXTMSG-RKDXNWHRSA-N 1 1 312.378 -1.316 20 0 DAADMO CC[C@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001400792869 924831702 /nfs/dbraw/zinc/83/17/02/924831702.db2.gz JNZDXJKIQCQRCD-MRVPVSSYSA-N 1 1 304.376 -1.761 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001400792879 924832364 /nfs/dbraw/zinc/83/23/64/924832364.db2.gz JNZDXJKIQCQRCD-QMMMGPOBSA-N 1 1 304.376 -1.761 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1nnnn1C ZINC001400835519 924833989 /nfs/dbraw/zinc/83/39/89/924833989.db2.gz UJIMIESKFJKCLW-BDAKNGLRSA-N 1 1 310.362 -1.782 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnn(CC)n1 ZINC001400880010 924835601 /nfs/dbraw/zinc/83/56/01/924835601.db2.gz UFOCFHLGQQMLHM-ONGXEEELSA-N 1 1 309.374 -1.036 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001400912316 924836325 /nfs/dbraw/zinc/83/63/25/924836325.db2.gz DCQKTIHROIKRIW-PSASIEDQSA-N 1 1 317.371 -1.254 20 0 DAADMO C[C@H](CNC(=O)CCc1nc[nH]n1)C[NH2+]Cc1nnnn1C ZINC001401106546 924843246 /nfs/dbraw/zinc/84/32/46/924843246.db2.gz JBGDLPZVHQYPPD-VIFPVBQESA-N 1 1 307.362 -1.197 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)C[NH2+]CC(=O)N1CCOCC1 ZINC001401141880 924843943 /nfs/dbraw/zinc/84/39/43/924843943.db2.gz WGVRTRXHTMRFMJ-NSHDSACASA-N 1 1 324.385 -1.452 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001401145879 924844822 /nfs/dbraw/zinc/84/48/22/924844822.db2.gz RRCKLNBWQHHRTL-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001401145879 924844831 /nfs/dbraw/zinc/84/48/31/924844831.db2.gz RRCKLNBWQHHRTL-QWRGUYRKSA-N 1 1 324.385 -1.257 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001401162252 924847360 /nfs/dbraw/zinc/84/73/60/924847360.db2.gz NBUVIJMDTBKHLV-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001401162252 924847368 /nfs/dbraw/zinc/84/73/68/924847368.db2.gz NBUVIJMDTBKHLV-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001401161180 924848113 /nfs/dbraw/zinc/84/81/13/924848113.db2.gz MFBPFPGADIUJLD-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001401161180 924848130 /nfs/dbraw/zinc/84/81/30/924848130.db2.gz MFBPFPGADIUJLD-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401199919 924849058 /nfs/dbraw/zinc/84/90/58/924849058.db2.gz HKRYXVUWMMAHNX-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401199919 924849069 /nfs/dbraw/zinc/84/90/69/924849069.db2.gz HKRYXVUWMMAHNX-GHMZBOCLSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173240 924849452 /nfs/dbraw/zinc/84/94/52/924849452.db2.gz XCIPDXHSRBUSHO-QWHCGFSZSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001401173240 924849458 /nfs/dbraw/zinc/84/94/58/924849458.db2.gz XCIPDXHSRBUSHO-QWHCGFSZSA-N 1 1 324.381 -1.169 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401199927 924849588 /nfs/dbraw/zinc/84/95/88/924849588.db2.gz HKRYXVUWMMAHNX-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CNCc1nnn(C)n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401199927 924849592 /nfs/dbraw/zinc/84/95/92/924849592.db2.gz HKRYXVUWMMAHNX-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2ncnn2)nn1 ZINC001401206820 924849668 /nfs/dbraw/zinc/84/96/68/924849668.db2.gz IWZAVAJAYFRSCZ-JTQLQIEISA-N 1 1 307.362 -1.079 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCn1ccnn1 ZINC001401217244 924850856 /nfs/dbraw/zinc/85/08/56/924850856.db2.gz VZLGQVGEONDQBF-JTQLQIEISA-N 1 1 307.362 -1.172 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001401230492 924852187 /nfs/dbraw/zinc/85/21/87/924852187.db2.gz VLRQFMSAJZZHSO-VIFPVBQESA-N 1 1 324.389 -1.127 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CCc1cnn(C)n1 ZINC001401246783 924854297 /nfs/dbraw/zinc/85/42/97/924854297.db2.gz ZEIJKWDKFLRWHT-SNVBAGLBSA-N 1 1 321.389 -1.092 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001401342361 924855806 /nfs/dbraw/zinc/85/58/06/924855806.db2.gz XEUFQNGEEXLKJC-QWRGUYRKSA-N 1 1 309.374 -1.273 20 0 DAADMO CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001401342364 924855977 /nfs/dbraw/zinc/85/59/77/924855977.db2.gz XEUFQNGEEXLKJC-WDEREUQCSA-N 1 1 309.374 -1.273 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1nnnn1C)C(C)C ZINC001401323521 924856317 /nfs/dbraw/zinc/85/63/17/924856317.db2.gz VQGWFHPUWFYYQD-SECBINFHSA-N 1 1 313.362 -1.204 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401392833 924857308 /nfs/dbraw/zinc/85/73/08/924857308.db2.gz DUWRECBSGNDDDN-UWVGGRQHSA-N 1 1 316.358 -2.018 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001401373327 924857546 /nfs/dbraw/zinc/85/75/46/924857546.db2.gz WVWIKWRUGJINQZ-SNVBAGLBSA-N 1 1 322.431 -1.468 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001401373327 924857556 /nfs/dbraw/zinc/85/75/56/924857556.db2.gz WVWIKWRUGJINQZ-SNVBAGLBSA-N 1 1 322.431 -1.468 20 0 DAADMO CC(C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001401383450 924857635 /nfs/dbraw/zinc/85/76/35/924857635.db2.gz NELPVBCEFQZLGW-JTQLQIEISA-N 1 1 305.400 -1.302 20 0 DAADMO CN(CC[N@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401398363 924857725 /nfs/dbraw/zinc/85/77/25/924857725.db2.gz SLVNLIZREIJAOU-NSHDSACASA-N 1 1 322.369 -1.092 20 0 DAADMO CN(CC[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401398363 924857733 /nfs/dbraw/zinc/85/77/33/924857733.db2.gz SLVNLIZREIJAOU-NSHDSACASA-N 1 1 322.369 -1.092 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001401387664 924857854 /nfs/dbraw/zinc/85/78/54/924857854.db2.gz OLODYTVRULGZQB-GFCCVEGCSA-N 1 1 304.322 -1.300 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001401387664 924857864 /nfs/dbraw/zinc/85/78/64/924857864.db2.gz OLODYTVRULGZQB-GFCCVEGCSA-N 1 1 304.322 -1.300 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001401411001 924857873 /nfs/dbraw/zinc/85/78/73/924857873.db2.gz BONIHKXRGXXQSW-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CCn1cnnn1 ZINC001401411001 924857882 /nfs/dbraw/zinc/85/78/82/924857882.db2.gz BONIHKXRGXXQSW-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)c1cccc(=O)n1C ZINC001401387972 924858073 /nfs/dbraw/zinc/85/80/73/924858073.db2.gz ZSUPEXLPUWBNHW-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1cccc(=O)n1C ZINC001401387972 924858080 /nfs/dbraw/zinc/85/80/80/924858080.db2.gz ZSUPEXLPUWBNHW-UHFFFAOYSA-N 1 1 323.353 -1.416 20 0 DAADMO CN(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401392549 924858099 /nfs/dbraw/zinc/85/80/99/924858099.db2.gz COGJRWPIDFHBMY-JTQLQIEISA-N 1 1 323.357 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1cn(C)cn1 ZINC001401363467 924858450 /nfs/dbraw/zinc/85/84/50/924858450.db2.gz BKVPKKDOWOPCSF-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)cn1 ZINC001401363467 924858459 /nfs/dbraw/zinc/85/84/59/924858459.db2.gz BKVPKKDOWOPCSF-UHFFFAOYSA-N 1 1 310.358 -1.121 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001401480850 924861030 /nfs/dbraw/zinc/86/10/30/924861030.db2.gz ALQWXCXBLKZFTE-SNVBAGLBSA-N 1 1 311.342 -1.247 20 0 DAADMO CN(CC[N@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001401438805 924861349 /nfs/dbraw/zinc/86/13/49/924861349.db2.gz ZYAYFNWJFCCOCC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC[N@@H+](C)CCNS(C)(=O)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001401438805 924861360 /nfs/dbraw/zinc/86/13/60/924861360.db2.gz ZYAYFNWJFCCOCC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO Cn1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)n2)cn1 ZINC001401485347 924863153 /nfs/dbraw/zinc/86/31/53/924863153.db2.gz AOWUYRXWIIMMRV-LBPRGKRZSA-N 1 1 307.358 -1.642 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CN2CCCC2=O)n1 ZINC001401489897 924864186 /nfs/dbraw/zinc/86/41/86/924864186.db2.gz PBMSHHAPEWVXSE-NSHDSACASA-N 1 1 310.358 -1.996 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1ccnn1)c1nncn1C ZINC001401491424 924864665 /nfs/dbraw/zinc/86/46/65/924864665.db2.gz NKEUCEYYAGQRBC-MNOVXSKESA-N 1 1 322.373 -1.375 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001401492795 924864781 /nfs/dbraw/zinc/86/47/81/924864781.db2.gz OOEZRTXQONXDGU-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO CC[N@H+]1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]21 ZINC001401493249 924865203 /nfs/dbraw/zinc/86/52/03/924865203.db2.gz NZGDCOHTVRCBFT-MNOVXSKESA-N 1 1 304.416 -1.017 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1cccnc1)c1nnnn1C ZINC001401500815 924868732 /nfs/dbraw/zinc/86/87/32/924868732.db2.gz AUZHZXVCAYSUCJ-JQWIXIFHSA-N 1 1 319.369 -1.025 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)C1 ZINC001401499478 924868808 /nfs/dbraw/zinc/86/88/08/924868808.db2.gz YMIWROPUSQNQCF-SNVBAGLBSA-N 1 1 313.383 -1.417 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001401501672 924869352 /nfs/dbraw/zinc/86/93/52/924869352.db2.gz WQKZPVUQLCZQSN-VIFPVBQESA-N 1 1 305.360 -2.574 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)c1nnnn1C ZINC001401505177 924870648 /nfs/dbraw/zinc/87/06/48/924870648.db2.gz MJMNPAWQLRSZRN-RKDXNWHRSA-N 1 1 321.341 -1.248 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001401503315 924870795 /nfs/dbraw/zinc/87/07/95/924870795.db2.gz IAUGGMMVXRDPSF-SECBINFHSA-N 1 1 322.373 -1.063 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)ncn1 ZINC001401502401 924871015 /nfs/dbraw/zinc/87/10/15/924871015.db2.gz HMZQZWNLYRDTGS-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)c1nnnn1C ZINC001401505170 924871982 /nfs/dbraw/zinc/87/19/82/924871982.db2.gz MJMNPAWQLRSZRN-DTWKUNHWSA-N 1 1 321.341 -1.248 20 0 DAADMO Nc1nccnc1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401511759 924872586 /nfs/dbraw/zinc/87/25/86/924872586.db2.gz RCXCPTXVSFVBCJ-SSDOTTSWSA-N 1 1 309.355 -1.209 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001401513501 924872671 /nfs/dbraw/zinc/87/26/71/924872671.db2.gz MOGARNHDDVWSLT-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001401514081 924872875 /nfs/dbraw/zinc/87/28/75/924872875.db2.gz NPSVTMWLUKUPHZ-NXEZZACHSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CCn1cccn1 ZINC001401512554 924873243 /nfs/dbraw/zinc/87/32/43/924873243.db2.gz OPQKJQIGQQGNTQ-SNVBAGLBSA-N 1 1 308.346 -1.936 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CCn1cccn1 ZINC001401512481 924873750 /nfs/dbraw/zinc/87/37/50/924873750.db2.gz OPQKJQIGQQGNTQ-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001401532613 924875993 /nfs/dbraw/zinc/87/59/93/924875993.db2.gz CIFJCNRJZICLIC-JTQLQIEISA-N 1 1 305.342 -1.206 20 0 DAADMO C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)S(C)(=O)=O ZINC001401536715 924877057 /nfs/dbraw/zinc/87/70/57/924877057.db2.gz JOMFSBFKBZYCOA-PSASIEDQSA-N 1 1 305.356 -1.326 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)c1cccc(=O)n1C ZINC001401542515 924878895 /nfs/dbraw/zinc/87/88/95/924878895.db2.gz IAMDFLJGQZZXKY-JTQLQIEISA-N 1 1 321.337 -1.043 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nccc(C)n1 ZINC001401542767 924879028 /nfs/dbraw/zinc/87/90/28/924879028.db2.gz OZUHATDGSLHXPX-JTQLQIEISA-N 1 1 310.358 -1.719 20 0 DAADMO CO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)C(C)C ZINC001401543741 924879374 /nfs/dbraw/zinc/87/93/74/924879374.db2.gz JBTXLHKAJGHEAT-KOLCDFICSA-N 1 1 300.363 -1.552 20 0 DAADMO CN(C)Cc1ccsc1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001401546838 924881195 /nfs/dbraw/zinc/88/11/95/924881195.db2.gz UVWJLJWVSYZIRO-JTQLQIEISA-N 1 1 314.411 -1.025 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)CC1=O ZINC001401546801 924881346 /nfs/dbraw/zinc/88/13/46/924881346.db2.gz UPQTXLIROSHQLC-BDAKNGLRSA-N 1 1 311.346 -2.745 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CCc2c[nH]cn2)nn1 ZINC001401544642 924881629 /nfs/dbraw/zinc/88/16/29/924881629.db2.gz GCUCOULKIOPCJZ-LBPRGKRZSA-N 1 1 307.358 -1.262 20 0 DAADMO COc1nccc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001401547387 924882550 /nfs/dbraw/zinc/88/25/50/924882550.db2.gz IXOCNFPTQUAGPY-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC001401548500 924883681 /nfs/dbraw/zinc/88/36/81/924883681.db2.gz WIQYROPLNHEIIX-DTWKUNHWSA-N 1 1 313.362 -2.128 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC(=O)C2)nn1 ZINC001401548311 924884038 /nfs/dbraw/zinc/88/40/38/924884038.db2.gz XPWDXZZECNXVTM-RISCZKNCSA-N 1 1 324.385 -1.702 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001401548761 924884212 /nfs/dbraw/zinc/88/42/12/924884212.db2.gz BJDUYVOXZJBULJ-VIFPVBQESA-N 1 1 307.358 -1.019 20 0 DAADMO Cc1cc(OCC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)no1 ZINC001401549042 924884428 /nfs/dbraw/zinc/88/44/28/924884428.db2.gz YAIGHIGLMLBNCQ-LLVKDONJSA-N 1 1 324.341 -1.243 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(=O)n(C)c2)n1 ZINC001401552892 924885493 /nfs/dbraw/zinc/88/54/93/924885493.db2.gz DPFJONCLXXNDOE-GFCCVEGCSA-N 1 1 320.353 -1.606 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001401553871 924885661 /nfs/dbraw/zinc/88/56/61/924885661.db2.gz JDWQEQZUFOIXAN-SFYZADRCSA-N 1 1 301.372 -1.384 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)c1ccnnc1 ZINC001401553645 924885742 /nfs/dbraw/zinc/88/57/42/924885742.db2.gz INYISNAHYQURFG-NSHDSACASA-N 1 1 305.342 -1.032 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001401553869 924886561 /nfs/dbraw/zinc/88/65/61/924886561.db2.gz JDWQEQZUFOIXAN-JGVFFNPUSA-N 1 1 301.372 -1.384 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncnn2C)n1 ZINC001401552507 924886843 /nfs/dbraw/zinc/88/68/43/924886843.db2.gz BYMCAJJQZDMDFX-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)cn2)nn1 ZINC001401558504 924888749 /nfs/dbraw/zinc/88/87/49/924888749.db2.gz BTVFBDYSROXERI-VIFPVBQESA-N 1 1 307.314 -2.221 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)o1 ZINC001401560529 924889945 /nfs/dbraw/zinc/88/99/45/924889945.db2.gz UPDILWXSEDVIAJ-LLVKDONJSA-N 1 1 308.342 -1.079 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cnoc1)c1nnnn1C ZINC001401563277 924891840 /nfs/dbraw/zinc/89/18/40/924891840.db2.gz XROZFPSOWAKEIF-WCBMZHEXSA-N 1 1 309.330 -1.432 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001401562356 924893519 /nfs/dbraw/zinc/89/35/19/924893519.db2.gz JSLXWZVTFMKTAZ-MNOVXSKESA-N 1 1 324.385 -1.607 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001401562364 924893532 /nfs/dbraw/zinc/89/35/32/924893532.db2.gz JSLXWZVTFMKTAZ-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO O=C(CCn1cnccc1=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001401568943 924894161 /nfs/dbraw/zinc/89/41/61/924894161.db2.gz HBDOFPARRWDCCY-LLVKDONJSA-N 1 1 322.325 -1.717 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001401568977 924894758 /nfs/dbraw/zinc/89/47/58/924894758.db2.gz YNNHJWCZUSQBDU-ZJUUUORDSA-N 1 1 311.346 -2.595 20 0 DAADMO Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)oc1C ZINC001401566942 924894883 /nfs/dbraw/zinc/89/48/83/924894883.db2.gz XXZQWTFXSDPQSF-VHSXEESVSA-N 1 1 311.342 -1.460 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001401568952 924895189 /nfs/dbraw/zinc/89/51/89/924895189.db2.gz YNNHJWCZUSQBDU-NXEZZACHSA-N 1 1 311.346 -2.595 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cncn2)nn1 ZINC001401573456 924897610 /nfs/dbraw/zinc/89/76/10/924897610.db2.gz MVDBOLBEMCPDJP-NSHDSACASA-N 1 1 308.346 -1.844 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)nn1 ZINC001401575774 924898377 /nfs/dbraw/zinc/89/83/77/924898377.db2.gz WXPYOARWGJIUDB-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCN2CCCC2=O)nn1 ZINC001401576154 924899064 /nfs/dbraw/zinc/89/90/64/924899064.db2.gz VUECTUYMRFTKNO-GFCCVEGCSA-N 1 1 324.385 -1.606 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2cncn2C)nn1 ZINC001401583457 924900600 /nfs/dbraw/zinc/90/06/00/924900600.db2.gz NCWPTJDGLPEWRH-CYBMUJFWSA-N 1 1 321.385 -1.159 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001401580330 924900657 /nfs/dbraw/zinc/90/06/57/924900657.db2.gz KACHQPOZJUKNLG-QWRGUYRKSA-N 1 1 324.385 -1.548 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001401583523 924901473 /nfs/dbraw/zinc/90/14/73/924901473.db2.gz ZTKKWOCHWHJPEA-VIFPVBQESA-N 1 1 311.371 -1.213 20 0 DAADMO Cn1[nH]c(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001401584940 924902841 /nfs/dbraw/zinc/90/28/41/924902841.db2.gz OEVDZNIPTAXFJJ-SNVBAGLBSA-N 1 1 324.385 -2.229 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001401587889 924903811 /nfs/dbraw/zinc/90/38/11/924903811.db2.gz XQMLKMSVTJDTBT-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001401587889 924903820 /nfs/dbraw/zinc/90/38/20/924903820.db2.gz XQMLKMSVTJDTBT-BQBZGAKWSA-N 1 1 311.264 -1.202 20 0 DAADMO Cn1ncc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001401588952 924903836 /nfs/dbraw/zinc/90/38/36/924903836.db2.gz TVMYMGMYINFXSU-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1ncn[nH]1 ZINC001401587981 924903867 /nfs/dbraw/zinc/90/38/67/924903867.db2.gz XQMLKMSVTJDTBT-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)c1nc[nH]n1 ZINC001401587981 924903873 /nfs/dbraw/zinc/90/38/73/924903873.db2.gz XQMLKMSVTJDTBT-RNFRBKRXSA-N 1 1 311.264 -1.202 20 0 DAADMO CCN(CC[NH2+][C@@H](C)c1nnnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401596917 924904147 /nfs/dbraw/zinc/90/41/47/924904147.db2.gz FEMOZUFMYMIVIQ-IUCAKERBSA-N 1 1 310.362 -1.609 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401624137 924908677 /nfs/dbraw/zinc/90/86/77/924908677.db2.gz HKRITRJXNMPZIG-ZJUUUORDSA-N 1 1 320.357 -1.807 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001401643402 924909427 /nfs/dbraw/zinc/90/94/27/924909427.db2.gz FOBJSICTZMFUAO-VXNVDRBHSA-N 1 1 319.387 -1.090 20 0 DAADMO COC(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001401668676 924911255 /nfs/dbraw/zinc/91/12/55/924911255.db2.gz KXPRTOSBCFHPFA-QMMMGPOBSA-N 1 1 311.346 -1.042 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001401671786 924911442 /nfs/dbraw/zinc/91/14/42/924911442.db2.gz PJZNXSPKNBJQJU-NXEZZACHSA-N 1 1 319.373 -1.342 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCS(C)(=O)=O ZINC001401691777 924914882 /nfs/dbraw/zinc/91/48/82/924914882.db2.gz GYKMAFJLCQBHDJ-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO Cc1nn(CC(=O)N[C@@H](C)C[NH2+]Cc2cnon2)c(=O)n1C ZINC001401713913 924916310 /nfs/dbraw/zinc/91/63/10/924916310.db2.gz YWDWAEPFRMHEAM-QMMMGPOBSA-N 1 1 309.330 -1.432 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001401719323 924916632 /nfs/dbraw/zinc/91/66/32/924916632.db2.gz KSTXUNODGVLUSM-CBAPKCEASA-N 1 1 303.344 -1.644 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001401714545 924916716 /nfs/dbraw/zinc/91/67/16/924916716.db2.gz UWAJHMXIRNWSSO-APPZFPTMSA-N 1 1 316.387 -1.601 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001401722300 924917402 /nfs/dbraw/zinc/91/74/02/924917402.db2.gz SMGPISYOUPEHMA-ZETCQYMHSA-N 1 1 305.360 -1.478 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001401719325 924917437 /nfs/dbraw/zinc/91/74/37/924917437.db2.gz KSTXUNODGVLUSM-IONNQARKSA-N 1 1 303.344 -1.644 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001401742553 924918258 /nfs/dbraw/zinc/91/82/58/924918258.db2.gz FJDCCAZTSUPYCW-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001401742553 924918263 /nfs/dbraw/zinc/91/82/63/924918263.db2.gz FJDCCAZTSUPYCW-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001401747460 924918737 /nfs/dbraw/zinc/91/87/37/924918737.db2.gz IAUVIDUGFHAAKU-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401735833 924919087 /nfs/dbraw/zinc/91/90/87/924919087.db2.gz RVKCXRIZQPLPFB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401735833 924919096 /nfs/dbraw/zinc/91/90/96/924919096.db2.gz RVKCXRIZQPLPFB-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401755728 924919187 /nfs/dbraw/zinc/91/91/87/924919187.db2.gz DCMHSPGUEYJASR-NXEZZACHSA-N 1 1 323.353 -1.726 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001401755728 924919193 /nfs/dbraw/zinc/91/91/93/924919193.db2.gz DCMHSPGUEYJASR-NXEZZACHSA-N 1 1 323.353 -1.726 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001401747465 924919237 /nfs/dbraw/zinc/91/92/37/924919237.db2.gz IAUVIDUGFHAAKU-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001401751860 924919498 /nfs/dbraw/zinc/91/94/98/924919498.db2.gz GBGBXJASXBJUJT-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001401751860 924919503 /nfs/dbraw/zinc/91/95/03/924919503.db2.gz GBGBXJASXBJUJT-SNVBAGLBSA-N 1 1 310.358 -1.095 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001401735857 924920149 /nfs/dbraw/zinc/92/01/49/924920149.db2.gz RVKCXRIZQPLPFB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001401735857 924920151 /nfs/dbraw/zinc/92/01/51/924920151.db2.gz RVKCXRIZQPLPFB-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001401784951 924921145 /nfs/dbraw/zinc/92/11/45/924921145.db2.gz NHNVUHOVJMXWKH-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001401784951 924921151 /nfs/dbraw/zinc/92/11/51/924921151.db2.gz NHNVUHOVJMXWKH-GHMZBOCLSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CN1CCCS1(=O)=O ZINC001401768640 924921426 /nfs/dbraw/zinc/92/14/26/924921426.db2.gz VXNSOXUAVTTWJK-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001401776788 924921596 /nfs/dbraw/zinc/92/15/96/924921596.db2.gz IJYNWQBHUXAMCU-VIFPVBQESA-N 1 1 309.370 -1.114 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001401776788 924921604 /nfs/dbraw/zinc/92/16/04/924921604.db2.gz IJYNWQBHUXAMCU-VIFPVBQESA-N 1 1 309.370 -1.114 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H](C)n1cncn1 ZINC001401770527 924921830 /nfs/dbraw/zinc/92/18/30/924921830.db2.gz QEHXXBATUNCZLJ-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H](C)n1cncn1 ZINC001401770527 924921837 /nfs/dbraw/zinc/92/18/37/924921837.db2.gz QEHXXBATUNCZLJ-IUCAKERBSA-N 1 1 311.346 -1.530 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001401795265 924921905 /nfs/dbraw/zinc/92/19/05/924921905.db2.gz QYFYQRHFJHOYQO-ONGXEEELSA-N 1 1 322.431 -1.518 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001401795265 924921908 /nfs/dbraw/zinc/92/19/08/924921908.db2.gz QYFYQRHFJHOYQO-ONGXEEELSA-N 1 1 322.431 -1.518 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCCC1=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001401790818 924922351 /nfs/dbraw/zinc/92/23/51/924922351.db2.gz ZSRDPCLZQBGHKW-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CC(C)CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401784957 924922581 /nfs/dbraw/zinc/92/25/81/924922581.db2.gz NHNVUHOVJMXWKH-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO CC(C)CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401784957 924922589 /nfs/dbraw/zinc/92/25/89/924922589.db2.gz NHNVUHOVJMXWKH-QWRGUYRKSA-N 1 1 313.402 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795305 924922678 /nfs/dbraw/zinc/92/26/78/924922678.db2.gz QYWLYEMZTUGILX-DTWKUNHWSA-N 1 1 322.431 -1.376 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001401795305 924922682 /nfs/dbraw/zinc/92/26/82/924922682.db2.gz QYWLYEMZTUGILX-DTWKUNHWSA-N 1 1 322.431 -1.376 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2COC(=O)N2)C2CC2)n1 ZINC001401831695 924924303 /nfs/dbraw/zinc/92/43/03/924924303.db2.gz CGGATGRRWUSLMX-QWRGUYRKSA-N 1 1 308.342 -1.092 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001401846515 924925157 /nfs/dbraw/zinc/92/51/57/924925157.db2.gz GUNMXGSEDQBHLL-GHMZBOCLSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001401835097 924925341 /nfs/dbraw/zinc/92/53/41/924925341.db2.gz NFOPJPMYOODGKL-SNVBAGLBSA-N 1 1 315.399 -1.156 20 0 DAADMO Cn1nnc(CNC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)n1 ZINC001401840153 924925437 /nfs/dbraw/zinc/92/54/37/924925437.db2.gz TYGPSSCYNRMDDZ-RYUDHWBXSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnc(CNC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)n1 ZINC001401840153 924925445 /nfs/dbraw/zinc/92/54/45/924925445.db2.gz TYGPSSCYNRMDDZ-RYUDHWBXSA-N 1 1 323.401 -1.475 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001401882377 924926957 /nfs/dbraw/zinc/92/69/57/924926957.db2.gz XSLHLORWOYFOKR-UWVGGRQHSA-N 1 1 307.358 -1.527 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCCF ZINC001401885667 924927400 /nfs/dbraw/zinc/92/74/00/924927400.db2.gz FPSNOGIQXAYJHQ-LLVKDONJSA-N 1 1 302.350 -1.211 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001401873649 924927865 /nfs/dbraw/zinc/92/78/65/924927865.db2.gz DVFOHEVWJJABLW-UONOGXRCSA-N 1 1 323.397 -1.087 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@H]1CNC(=O)Cn1ncnn1 ZINC001401887699 924928699 /nfs/dbraw/zinc/92/86/99/924928699.db2.gz ILBAURXSAALIKN-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001401887693 924929659 /nfs/dbraw/zinc/92/96/59/924929659.db2.gz ILBAURXSAALIKN-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1cn(C)nn1 ZINC001401911057 924930411 /nfs/dbraw/zinc/93/04/11/924930411.db2.gz DGUVMUKMOMKXBY-OLZOCXBDSA-N 1 1 311.386 -1.055 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3ccc(=O)[nH]n3)CC2)nc1=O ZINC001401913274 924930693 /nfs/dbraw/zinc/93/06/93/924930693.db2.gz ABBVTHVNWMEKFV-UHFFFAOYSA-N 1 1 319.325 -1.344 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001401907361 924931288 /nfs/dbraw/zinc/93/12/88/924931288.db2.gz UOCKRXCMJSFCNM-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001401923649 924933028 /nfs/dbraw/zinc/93/30/28/924933028.db2.gz LKNQVBXHDARFHQ-GHMZBOCLSA-N 1 1 312.370 -1.465 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1[C@@H](C)C(=O)NC(N)=O ZINC001401926436 924933309 /nfs/dbraw/zinc/93/33/09/924933309.db2.gz VZQIHUSQSGXUBD-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001401934870 924933630 /nfs/dbraw/zinc/93/36/30/924933630.db2.gz TYCVJNRJCBTBMX-NWDGAFQWSA-N 1 1 324.385 -1.250 20 0 DAADMO COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916971 924934319 /nfs/dbraw/zinc/93/43/19/924934319.db2.gz NWXCHKLZEVFQDI-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001401916971 924934323 /nfs/dbraw/zinc/93/43/23/924934323.db2.gz NWXCHKLZEVFQDI-NWDGAFQWSA-N 1 1 322.365 -1.008 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)[C@@H]3COC(=O)N3)CC2)nc1=O ZINC001401937500 924935325 /nfs/dbraw/zinc/93/53/25/924935325.db2.gz LZWCWEXKDQEGRT-ZETCQYMHSA-N 1 1 310.314 -2.045 20 0 DAADMO Cn1[nH]c(C[NH2+]C2(CNC(=O)c3c[nH]c(=O)cn3)CC2)nc1=O ZINC001401957248 924937785 /nfs/dbraw/zinc/93/77/85/924937785.db2.gz JCTNSEPCDJLAQU-UHFFFAOYSA-N 1 1 319.325 -1.756 20 0 DAADMO CN(CC[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)S(C)(=O)=O ZINC001401975066 924938401 /nfs/dbraw/zinc/93/84/01/924938401.db2.gz RINWTQCMGYYMQQ-UHFFFAOYSA-N 1 1 316.387 -1.452 20 0 DAADMO CN(CC[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)S(C)(=O)=O ZINC001401975066 924938411 /nfs/dbraw/zinc/93/84/11/924938411.db2.gz RINWTQCMGYYMQQ-UHFFFAOYSA-N 1 1 316.387 -1.452 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001402012621 924939809 /nfs/dbraw/zinc/93/98/09/924939809.db2.gz FOCCGNDJYGPREG-LLVKDONJSA-N 1 1 323.415 -1.924 20 0 DAADMO CCC(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001402007579 924939939 /nfs/dbraw/zinc/93/99/39/924939939.db2.gz CTQZFVAEGSWHID-CYBMUJFWSA-N 1 1 323.397 -1.087 20 0 DAADMO CCC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001402074906 924943054 /nfs/dbraw/zinc/94/30/54/924943054.db2.gz SWVLZVRSQQXBRC-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079705 924943486 /nfs/dbraw/zinc/94/34/86/924943486.db2.gz KWZYIXMTVCYPRW-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001402079705 924943489 /nfs/dbraw/zinc/94/34/89/924943489.db2.gz KWZYIXMTVCYPRW-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001402104014 924944417 /nfs/dbraw/zinc/94/44/17/924944417.db2.gz JSLLGLITTULGTB-HIFRSBDPSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001402104012 924945275 /nfs/dbraw/zinc/94/52/75/924945275.db2.gz JSLLGLITTULGTB-DZGCQCFKSA-N 1 1 323.397 -1.039 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001402132669 924946565 /nfs/dbraw/zinc/94/65/65/924946565.db2.gz YMFJZEIDPIFYPT-MFKMUULPSA-N 1 1 307.358 -1.516 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001402137058 924946785 /nfs/dbraw/zinc/94/67/85/924946785.db2.gz POTUMIDEFVTQJY-PWSUYJOCSA-N 1 1 322.431 -1.344 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)COC)C1 ZINC001402124613 924946942 /nfs/dbraw/zinc/94/69/42/924946942.db2.gz FLHJUFBRMHUGOG-PWSUYJOCSA-N 1 1 322.431 -1.344 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)CCNC(=O)COC)C1 ZINC001402132638 924947265 /nfs/dbraw/zinc/94/72/65/924947265.db2.gz SVBCOWDGLVERPJ-CQSZACIVSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)CCNC(=O)COC)C1 ZINC001402132638 924947270 /nfs/dbraw/zinc/94/72/70/924947270.db2.gz SVBCOWDGLVERPJ-CQSZACIVSA-N 1 1 314.386 -1.534 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001402132680 924947441 /nfs/dbraw/zinc/94/74/41/924947441.db2.gz YMFJZEIDPIFYPT-ZWNOBZJWSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402137662 924948429 /nfs/dbraw/zinc/94/84/29/924948429.db2.gz YKLZHWCDBMMSNV-YGRLFVJLSA-N 1 1 311.386 -1.225 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001402143672 924949280 /nfs/dbraw/zinc/94/92/80/924949280.db2.gz XTQDNYPFPXURIV-SNVBAGLBSA-N 1 1 307.376 -2.894 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001402143672 924949283 /nfs/dbraw/zinc/94/92/83/924949283.db2.gz XTQDNYPFPXURIV-SNVBAGLBSA-N 1 1 307.376 -2.894 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001402141115 924949315 /nfs/dbraw/zinc/94/93/15/924949315.db2.gz QJBRMSNCTYKRBN-CYBMUJFWSA-N 1 1 310.358 -1.396 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001402140478 924949744 /nfs/dbraw/zinc/94/97/44/924949744.db2.gz POYTWTUIAGOXCY-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001402140478 924949755 /nfs/dbraw/zinc/94/97/55/924949755.db2.gz POYTWTUIAGOXCY-JOYOIKCWSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001402171944 924951149 /nfs/dbraw/zinc/95/11/49/924951149.db2.gz LMOHMPKDQMMINA-LLVKDONJSA-N 1 1 309.374 -1.212 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001402213460 924951222 /nfs/dbraw/zinc/95/12/22/924951222.db2.gz QYJROWSBUXHRSH-QMTHXVAHSA-N 1 1 311.386 -1.368 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001402183507 924951494 /nfs/dbraw/zinc/95/14/94/924951494.db2.gz KLSNEKFIEKSHAM-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402183507 924951497 /nfs/dbraw/zinc/95/14/97/924951497.db2.gz KLSNEKFIEKSHAM-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001402213453 924952250 /nfs/dbraw/zinc/95/22/50/924952250.db2.gz QYJROWSBUXHRSH-HZMBPMFUSA-N 1 1 311.386 -1.368 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253393 924952783 /nfs/dbraw/zinc/95/27/83/924952783.db2.gz XFDOVTZGGHGFDX-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1)c1cnccn1 ZINC001402253393 924952787 /nfs/dbraw/zinc/95/27/87/924952787.db2.gz XFDOVTZGGHGFDX-FZMZJTMJSA-N 1 1 305.338 -1.468 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001402249777 924953071 /nfs/dbraw/zinc/95/30/71/924953071.db2.gz QCDHZUNNFZDICR-AWEZNQCLSA-N 1 1 309.370 -1.391 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001402249777 924953076 /nfs/dbraw/zinc/95/30/76/924953076.db2.gz QCDHZUNNFZDICR-AWEZNQCLSA-N 1 1 309.370 -1.391 20 0 DAADMO Cn1[n-]c(CN2CC[C@@](O)(CNC(=O)C3CCC3)C2)nc1=O ZINC001402252671 924953636 /nfs/dbraw/zinc/95/36/36/924953636.db2.gz XTCYMAJAEJDRJX-CQSZACIVSA-N 1 1 309.370 -1.039 20 0 DAADMO CC(=O)NCC(=O)NCC1([NH2+]Cc2cn(C)nn2)CCOCC1 ZINC001402223411 924953671 /nfs/dbraw/zinc/95/36/71/924953671.db2.gz XPUNFGWOLGFZPJ-UHFFFAOYSA-N 1 1 324.385 -1.294 20 0 DAADMO Cn1[n-]c(CN2CC[C@](O)(CNC(=O)C3CCC3)C2)nc1=O ZINC001402252667 924953793 /nfs/dbraw/zinc/95/37/93/924953793.db2.gz XTCYMAJAEJDRJX-AWEZNQCLSA-N 1 1 309.370 -1.039 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001402252347 924953821 /nfs/dbraw/zinc/95/38/21/924953821.db2.gz ZTEPKSBZQOQWJU-GFCCVEGCSA-N 1 1 312.414 -1.061 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CCOCC1)N1CCC1 ZINC001402246518 924953859 /nfs/dbraw/zinc/95/38/59/924953859.db2.gz XORZSKWNAGVBKN-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CCOCC1)N1CCC1 ZINC001402246518 924953864 /nfs/dbraw/zinc/95/38/64/924953864.db2.gz XORZSKWNAGVBKN-UHFFFAOYSA-N 1 1 322.369 -1.094 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccn[nH]1 ZINC001402256584 924955061 /nfs/dbraw/zinc/95/50/61/924955061.db2.gz HBQINKDMLFNMFM-CQSZACIVSA-N 1 1 322.369 -1.399 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cccn2)C1 ZINC001402257487 924955091 /nfs/dbraw/zinc/95/50/91/924955091.db2.gz ODIDHSZHGMOZFW-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001402261833 924955167 /nfs/dbraw/zinc/95/51/67/924955167.db2.gz GTOOXJBMIFBDLX-ZDUSSCGKSA-N 1 1 301.343 -1.822 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC2OCCCO2)C1 ZINC001402261833 924955177 /nfs/dbraw/zinc/95/51/77/924955177.db2.gz GTOOXJBMIFBDLX-ZDUSSCGKSA-N 1 1 301.343 -1.822 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C)ncn2)C1 ZINC001402261320 924955225 /nfs/dbraw/zinc/95/52/25/924955225.db2.gz HVKLMECQLCCPFD-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402262994 924955284 /nfs/dbraw/zinc/95/52/84/924955284.db2.gz CUHHBEFPSSXTSI-JQWIXIFHSA-N 1 1 314.346 -2.767 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C2=CCCC2)C1 ZINC001402263042 924955591 /nfs/dbraw/zinc/95/55/91/924955591.db2.gz JQPTXWYFCGMQTM-AWEZNQCLSA-N 1 1 310.354 -1.155 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C2=CCCC2)C1 ZINC001402263042 924955596 /nfs/dbraw/zinc/95/55/96/924955596.db2.gz JQPTXWYFCGMQTM-AWEZNQCLSA-N 1 1 310.354 -1.155 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1CCCCS1(=O)=O ZINC001402265619 924955675 /nfs/dbraw/zinc/95/56/75/924955675.db2.gz HUPPUDSAGNRWCG-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1CCCCS1(=O)=O ZINC001402265619 924955681 /nfs/dbraw/zinc/95/56/81/924955681.db2.gz HUPPUDSAGNRWCG-DGCLKSJQSA-N 1 1 320.411 -1.501 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCN2CCNC2=O)C1)c1ccn[nH]1 ZINC001402256578 924955895 /nfs/dbraw/zinc/95/58/95/924955895.db2.gz HBQINKDMLFNMFM-AWEZNQCLSA-N 1 1 322.369 -1.399 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001402257741 924955991 /nfs/dbraw/zinc/95/59/91/924955991.db2.gz CCEZJRVXTVVJCD-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001402257741 924955999 /nfs/dbraw/zinc/95/59/99/924955999.db2.gz CCEZJRVXTVVJCD-HNNXBMFYSA-N 1 1 321.381 -1.135 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402258131 924956455 /nfs/dbraw/zinc/95/64/55/924956455.db2.gz AJVCVNMKPLSFQA-LBPRGKRZSA-N 1 1 302.331 -2.229 20 0 DAADMO CCOCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402258131 924956459 /nfs/dbraw/zinc/95/64/59/924956459.db2.gz AJVCVNMKPLSFQA-LBPRGKRZSA-N 1 1 302.331 -2.229 20 0 DAADMO Cn1ncc(C[NH2+][C@H](CNC(=O)Cn2cnnn2)C2CC2)n1 ZINC001402253461 924956714 /nfs/dbraw/zinc/95/67/14/924956714.db2.gz GHKYCFBPVKKJDR-LLVKDONJSA-N 1 1 305.346 -1.514 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001402253942 924956773 /nfs/dbraw/zinc/95/67/73/924956773.db2.gz YDVXWAZYDIFORL-AWEZNQCLSA-N 1 1 309.370 -1.391 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001402253942 924956777 /nfs/dbraw/zinc/95/67/77/924956777.db2.gz YDVXWAZYDIFORL-AWEZNQCLSA-N 1 1 309.370 -1.391 20 0 DAADMO CC1(C)C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001402267419 924957823 /nfs/dbraw/zinc/95/78/23/924957823.db2.gz OEIOZYDCKKHOQK-LKFCYVNXSA-N 1 1 312.370 -1.220 20 0 DAADMO CC1(C)C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001402267419 924957830 /nfs/dbraw/zinc/95/78/30/924957830.db2.gz OEIOZYDCKKHOQK-LKFCYVNXSA-N 1 1 312.370 -1.220 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001402268417 924958237 /nfs/dbraw/zinc/95/82/37/924958237.db2.gz QLVRQSJICMCEQN-WFASDCNBSA-N 1 1 324.381 -2.094 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001402268417 924958244 /nfs/dbraw/zinc/95/82/44/924958244.db2.gz QLVRQSJICMCEQN-WFASDCNBSA-N 1 1 324.381 -2.094 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402272193 924959140 /nfs/dbraw/zinc/95/91/40/924959140.db2.gz PHYLFABYVMLLFG-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402272193 924959150 /nfs/dbraw/zinc/95/91/50/924959150.db2.gz PHYLFABYVMLLFG-WFASDCNBSA-N 1 1 321.381 -1.216 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001402272243 924959399 /nfs/dbraw/zinc/95/93/99/924959399.db2.gz OLGLUCBWTHTLCD-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001402272243 924959407 /nfs/dbraw/zinc/95/94/07/924959407.db2.gz OLGLUCBWTHTLCD-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001402269731 924959737 /nfs/dbraw/zinc/95/97/37/924959737.db2.gz HXFBPCRAWAQEMT-BIGJJFBESA-N 1 1 314.382 -1.561 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001402278408 924960482 /nfs/dbraw/zinc/96/04/82/924960482.db2.gz NDPQHSYETABLSE-CYBMUJFWSA-N 1 1 311.342 -1.780 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001402278408 924960488 /nfs/dbraw/zinc/96/04/88/924960488.db2.gz NDPQHSYETABLSE-CYBMUJFWSA-N 1 1 311.342 -1.780 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001402274850 924960792 /nfs/dbraw/zinc/96/07/92/924960792.db2.gz LCURXDIIRPWCFJ-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001402275002 924961096 /nfs/dbraw/zinc/96/10/96/924961096.db2.gz JEMJXSQGFKFREM-GWCFXTLKSA-N 1 1 302.375 -1.761 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001402275010 924961415 /nfs/dbraw/zinc/96/14/15/924961415.db2.gz JEMJXSQGFKFREM-MFKMUULPSA-N 1 1 302.375 -1.761 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402274771 924961504 /nfs/dbraw/zinc/96/15/04/924961504.db2.gz RHTFFNDGIOSJKU-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C)nn2)C1 ZINC001402274771 924961509 /nfs/dbraw/zinc/96/15/09/924961509.db2.gz RHTFFNDGIOSJKU-AWEZNQCLSA-N 1 1 307.354 -1.302 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402277300 924961746 /nfs/dbraw/zinc/96/17/46/924961746.db2.gz TYWYUSBYWFRCEJ-ABAIWWIYSA-N 1 1 311.382 -1.267 20 0 DAADMO O=C(CC1(O)CCC1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402277300 924961754 /nfs/dbraw/zinc/96/17/54/924961754.db2.gz TYWYUSBYWFRCEJ-ABAIWWIYSA-N 1 1 311.382 -1.267 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001402272775 924961776 /nfs/dbraw/zinc/96/17/76/924961776.db2.gz OWRUFGDSFKLVBB-RISCZKNCSA-N 1 1 316.402 -1.371 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001402278415 924961902 /nfs/dbraw/zinc/96/19/02/924961902.db2.gz NDPQHSYETABLSE-ZDUSSCGKSA-N 1 1 311.342 -1.780 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc(C)o2)C1 ZINC001402278415 924961908 /nfs/dbraw/zinc/96/19/08/924961908.db2.gz NDPQHSYETABLSE-ZDUSSCGKSA-N 1 1 311.342 -1.780 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)[C@H]1COCCO1 ZINC001402273308 924961960 /nfs/dbraw/zinc/96/19/60/924961960.db2.gz VWISPSMKZXUEEE-HIFRSBDPSA-N 1 1 324.381 -1.149 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001402275871 924962032 /nfs/dbraw/zinc/96/20/32/924962032.db2.gz YVUFXGMFUYLJGA-CQSZACIVSA-N 1 1 321.337 -1.178 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001402277652 924962300 /nfs/dbraw/zinc/96/23/00/924962300.db2.gz VBINXSJMZXOTBT-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2ccncn2)C1 ZINC001402277652 924962304 /nfs/dbraw/zinc/96/23/04/924962304.db2.gz VBINXSJMZXOTBT-AWEZNQCLSA-N 1 1 307.354 -1.553 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001402280387 924963136 /nfs/dbraw/zinc/96/31/36/924963136.db2.gz CCSNCTLAOCICJI-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2nccc2C)C1 ZINC001402280387 924963140 /nfs/dbraw/zinc/96/31/40/924963140.db2.gz CCSNCTLAOCICJI-CQSZACIVSA-N 1 1 309.370 -1.509 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001402282311 924963282 /nfs/dbraw/zinc/96/32/82/924963282.db2.gz QNUHKXAETFSPOG-RISCZKNCSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001402282311 924963288 /nfs/dbraw/zinc/96/32/88/924963288.db2.gz QNUHKXAETFSPOG-RISCZKNCSA-N 1 1 322.369 -1.647 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001402281334 924963670 /nfs/dbraw/zinc/96/36/70/924963670.db2.gz GYCDKNFKFVNEKK-ABAIWWIYSA-N 1 1 309.366 -1.067 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001402284614 924963859 /nfs/dbraw/zinc/96/38/59/924963859.db2.gz RNXLHRIHICOPQJ-HQJQHLMTSA-N 1 1 320.296 -1.611 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001402284614 924963872 /nfs/dbraw/zinc/96/38/72/924963872.db2.gz RNXLHRIHICOPQJ-HQJQHLMTSA-N 1 1 320.296 -1.611 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)N1CCCC1 ZINC001402282937 924963983 /nfs/dbraw/zinc/96/39/83/924963983.db2.gz HFPCJHXZQHGNRI-AWEZNQCLSA-N 1 1 323.353 -1.141 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)c2cnon2)C1)N1CCCC1 ZINC001402282937 924963990 /nfs/dbraw/zinc/96/39/90/924963990.db2.gz HFPCJHXZQHGNRI-AWEZNQCLSA-N 1 1 323.353 -1.141 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001402283672 924964656 /nfs/dbraw/zinc/96/46/56/924964656.db2.gz BTLDMQMYLAJDNQ-BXUZGUMPSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402287121 924965150 /nfs/dbraw/zinc/96/51/50/924965150.db2.gz FSKKSTAMGVTRNL-HZMBPMFUSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402287121 924965157 /nfs/dbraw/zinc/96/51/57/924965157.db2.gz FSKKSTAMGVTRNL-HZMBPMFUSA-N 1 1 312.370 -1.917 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001402285419 924965192 /nfs/dbraw/zinc/96/51/92/924965192.db2.gz MABYSKPQUWRYCF-FZMZJTMJSA-N 1 1 323.353 -2.089 20 0 DAADMO NC(=O)CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402287140 924965485 /nfs/dbraw/zinc/96/54/85/924965485.db2.gz FSKKSTAMGVTRNL-QMTHXVAHSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)CCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402287140 924965492 /nfs/dbraw/zinc/96/54/92/924965492.db2.gz FSKKSTAMGVTRNL-QMTHXVAHSA-N 1 1 312.370 -1.917 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001402290532 924965756 /nfs/dbraw/zinc/96/57/56/924965756.db2.gz RAXVWZGSDOSVSM-ZDUSSCGKSA-N 1 1 302.350 -2.059 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001402290532 924965764 /nfs/dbraw/zinc/96/57/64/924965764.db2.gz RAXVWZGSDOSVSM-ZDUSSCGKSA-N 1 1 302.350 -2.059 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001402291498 924966355 /nfs/dbraw/zinc/96/63/55/924966355.db2.gz XBUGFKKDKXSWFR-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001402291498 924966359 /nfs/dbraw/zinc/96/63/59/924966359.db2.gz XBUGFKKDKXSWFR-AWEZNQCLSA-N 1 1 324.385 -1.447 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001402285462 924966542 /nfs/dbraw/zinc/96/65/42/924966542.db2.gz MABYSKPQUWRYCF-SMDDNHRTSA-N 1 1 323.353 -2.089 20 0 DAADMO Cn1cncc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001402295426 924967650 /nfs/dbraw/zinc/96/76/50/924967650.db2.gz RRHJBBCHIAIILS-XHDPSFHLSA-N 1 1 321.381 -1.135 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001402300972 924967673 /nfs/dbraw/zinc/96/76/73/924967673.db2.gz XEGDWMVZJWFDCH-AWEZNQCLSA-N 1 1 323.353 -1.683 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC001402300972 924967680 /nfs/dbraw/zinc/96/76/80/924967680.db2.gz XEGDWMVZJWFDCH-AWEZNQCLSA-N 1 1 323.353 -1.683 20 0 DAADMO Cn1ccc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001402301587 924968148 /nfs/dbraw/zinc/96/81/48/924968148.db2.gz BIRLVEFTDOUIKI-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1ccc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001402301587 924968155 /nfs/dbraw/zinc/96/81/55/924968155.db2.gz BIRLVEFTDOUIKI-CYBMUJFWSA-N 1 1 323.397 -1.586 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001402301011 924968390 /nfs/dbraw/zinc/96/83/90/924968390.db2.gz WXSKAFXSFMXTGA-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO O=C(CCc1cn[nH]c1)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001402301011 924968395 /nfs/dbraw/zinc/96/83/95/924968395.db2.gz WXSKAFXSFMXTGA-IUODEOHRSA-N 1 1 321.381 -1.216 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001402297664 924968447 /nfs/dbraw/zinc/96/84/47/924968447.db2.gz RZLGRHCVWYXWAH-CYBMUJFWSA-N 1 1 311.317 -1.288 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001402297664 924968454 /nfs/dbraw/zinc/96/84/54/924968454.db2.gz RZLGRHCVWYXWAH-CYBMUJFWSA-N 1 1 311.317 -1.288 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001402296354 924968544 /nfs/dbraw/zinc/96/85/44/924968544.db2.gz PFIKROSOURSAKY-SMDDNHRTSA-N 1 1 324.385 -1.272 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001402303556 924968642 /nfs/dbraw/zinc/96/86/42/924968642.db2.gz WJJGPUUNVXTUQK-BXUZGUMPSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303556 924968650 /nfs/dbraw/zinc/96/86/50/924968650.db2.gz WJJGPUUNVXTUQK-BXUZGUMPSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001402303556 924968655 /nfs/dbraw/zinc/96/86/55/924968655.db2.gz WJJGPUUNVXTUQK-BXUZGUMPSA-N 1 1 324.385 -1.446 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001402296327 924969244 /nfs/dbraw/zinc/96/92/44/924969244.db2.gz PFIKROSOURSAKY-RISCZKNCSA-N 1 1 324.385 -1.272 20 0 DAADMO NC(=O)NCCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001402303491 924969466 /nfs/dbraw/zinc/96/94/66/924969466.db2.gz ZDCRTBWJQWFSHE-AWEZNQCLSA-N 1 1 324.385 -1.506 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001402308184 924969954 /nfs/dbraw/zinc/96/99/54/924969954.db2.gz GVZPKPRWRLFVBC-MEBBXXQBSA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001402304392 924971355 /nfs/dbraw/zinc/97/13/55/924971355.db2.gz QSLMKYKWBYXYIW-AWEZNQCLSA-N 1 1 324.385 -1.513 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402309110 924971387 /nfs/dbraw/zinc/97/13/87/924971387.db2.gz DIQBYEHDGWIOIC-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO CCCNC(=O)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402309110 924971392 /nfs/dbraw/zinc/97/13/92/924971392.db2.gz DIQBYEHDGWIOIC-AWEZNQCLSA-N 1 1 314.386 -1.669 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001402315536 924972428 /nfs/dbraw/zinc/97/24/28/924972428.db2.gz QEOSSYXNQQYOMB-GHMZBOCLSA-N 1 1 321.385 -1.279 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)n1 ZINC001402310435 924972619 /nfs/dbraw/zinc/97/26/19/924972619.db2.gz ILWQLMUWMZEDLZ-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001402312857 924973383 /nfs/dbraw/zinc/97/33/83/924973383.db2.gz ITQOWEPYXSVMJV-CQSZACIVSA-N 1 1 309.370 -1.115 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001402312857 924973391 /nfs/dbraw/zinc/97/33/91/924973391.db2.gz ITQOWEPYXSVMJV-CQSZACIVSA-N 1 1 309.370 -1.115 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001402323070 924974375 /nfs/dbraw/zinc/97/43/75/924974375.db2.gz BETAIODWHRYFGT-VIFPVBQESA-N 1 1 320.357 -1.053 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001402319595 924975569 /nfs/dbraw/zinc/97/55/69/924975569.db2.gz RJQNYPJRKSAKOV-SWLSCSKDSA-N 1 1 321.381 -1.298 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001402319595 924975577 /nfs/dbraw/zinc/97/55/77/924975577.db2.gz RJQNYPJRKSAKOV-SWLSCSKDSA-N 1 1 321.381 -1.298 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001402329600 924976339 /nfs/dbraw/zinc/97/63/39/924976339.db2.gz GYVVTEFZLONDML-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001402325667 924976979 /nfs/dbraw/zinc/97/69/79/924976979.db2.gz XLFNAFGHRBEMKD-LLVKDONJSA-N 1 1 322.387 -3.165 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)NC)C1 ZINC001402325667 924976983 /nfs/dbraw/zinc/97/69/83/924976983.db2.gz XLFNAFGHRBEMKD-LLVKDONJSA-N 1 1 322.387 -3.165 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001402329515 924977031 /nfs/dbraw/zinc/97/70/31/924977031.db2.gz DHZCACCOVRJFAZ-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001402329695 924978216 /nfs/dbraw/zinc/97/82/16/924978216.db2.gz ARUOWKBQZXMJRX-OLZOCXBDSA-N 1 1 324.425 -1.089 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001402334361 924978294 /nfs/dbraw/zinc/97/82/94/924978294.db2.gz HBYHZRFOSJEPFM-QWRGUYRKSA-N 1 1 321.385 -1.185 20 0 DAADMO COC[C@@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001402338087 924979458 /nfs/dbraw/zinc/97/94/58/924979458.db2.gz AVNCACYIOLHPBM-QWHCGFSZSA-N 1 1 315.414 -1.359 20 0 DAADMO C[C@@H](CC(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1)NC(N)=O ZINC001402334468 924979843 /nfs/dbraw/zinc/97/98/43/924979843.db2.gz JVUIFOLIUHFALU-WDEREUQCSA-N 1 1 314.386 -1.367 20 0 DAADMO O=C(CCn1ccnn1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001402337836 924980086 /nfs/dbraw/zinc/98/00/86/924980086.db2.gz SNJIXLYIICTEDR-GFCCVEGCSA-N 1 1 309.370 -1.132 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001402335277 924980331 /nfs/dbraw/zinc/98/03/31/924980331.db2.gz PDUAGWZTPRNQNF-UHFFFAOYSA-N 1 1 310.354 -1.882 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402344253 924981860 /nfs/dbraw/zinc/98/18/60/924981860.db2.gz KWNSGZNIXXEQQZ-LBPRGKRZSA-N 1 1 312.414 -1.245 20 0 DAADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001402344240 924982301 /nfs/dbraw/zinc/98/23/01/924982301.db2.gz KWNSGZNIXXEQQZ-GFCCVEGCSA-N 1 1 312.414 -1.245 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402350919 924984396 /nfs/dbraw/zinc/98/43/96/924984396.db2.gz DZAFFBYMFYVZPJ-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001402354506 924985781 /nfs/dbraw/zinc/98/57/81/924985781.db2.gz FCEIIPHSHIJYSV-SECBINFHSA-N 1 1 305.400 -1.503 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN([C@@H]3CCCNC3=O)C2)C1 ZINC001402360558 924988027 /nfs/dbraw/zinc/98/80/27/924988027.db2.gz ZZUWJXYOAOBERN-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN([C@H]3CCCNC3=O)C2)C1 ZINC001402360556 924988137 /nfs/dbraw/zinc/98/81/37/924988137.db2.gz ZZUWJXYOAOBERN-OLZOCXBDSA-N 1 1 324.425 -1.230 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(CCS(C)(=O)=O)C1 ZINC001402377335 924990876 /nfs/dbraw/zinc/99/08/76/924990876.db2.gz JJWVQCRGROFSJO-UHFFFAOYSA-N 1 1 321.443 -1.466 20 0 DAADMO Cn1[nH]c(CN2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001402380866 924991299 /nfs/dbraw/zinc/99/12/99/924991299.db2.gz GQQZPOZWXMQJRA-SNVBAGLBSA-N 1 1 324.385 -2.277 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001402431187 924994175 /nfs/dbraw/zinc/99/41/75/924994175.db2.gz MBPLILZLQSINDB-PHIMTYICSA-N 1 1 305.400 -1.692 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001402428546 924994297 /nfs/dbraw/zinc/99/42/97/924994297.db2.gz AIIYLHFBYBLCCF-AOOOYVTPSA-N 1 1 306.388 -2.577 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2CN(C(=O)COC)C[C@H]2C1 ZINC001402409559 924994409 /nfs/dbraw/zinc/99/44/09/924994409.db2.gz GXGVZDGTXRYCPE-TXEJJXNPSA-N 1 1 319.427 -1.038 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C1 ZINC001402420872 924995188 /nfs/dbraw/zinc/99/51/88/924995188.db2.gz RIXGJCOUOGVIFW-BETUJISGSA-N 1 1 322.409 -1.009 20 0 DAADMO CCNC(=O)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402448263 924995971 /nfs/dbraw/zinc/99/59/71/924995971.db2.gz KZHPRBIXAQYDSF-CQSZACIVSA-N 1 1 301.387 -1.162 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402448092 924996479 /nfs/dbraw/zinc/99/64/79/924996479.db2.gz KZHPRBIXAQYDSF-AWEZNQCLSA-N 1 1 301.387 -1.162 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001402458501 924999984 /nfs/dbraw/zinc/99/99/84/924999984.db2.gz ZUSGKEKIMOVLTR-GWCFXTLKSA-N 1 1 302.375 -1.761 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@@](CO)(NC(=O)c2nnn(C)n2)C1 ZINC001402457895 925000011 /nfs/dbraw/zinc/00/00/11/925000011.db2.gz DIXYXNWYUJQGSW-ZWNOBZJWSA-N 1 1 312.374 -1.198 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@]1(CO)CCC[N@H+](C(C)C)C1 ZINC001402460900 925000969 /nfs/dbraw/zinc/00/09/69/925000969.db2.gz SOKJWXIPBYQLAC-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)nc1 ZINC001402460074 925001176 /nfs/dbraw/zinc/00/11/76/925001176.db2.gz RMVGYYYJSXAJJX-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001402468112 925001719 /nfs/dbraw/zinc/00/17/19/925001719.db2.gz FNKSSPIOJXISEC-DTWKUNHWSA-N 1 1 321.341 -1.464 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001402468112 925001727 /nfs/dbraw/zinc/00/17/27/925001727.db2.gz FNKSSPIOJXISEC-DTWKUNHWSA-N 1 1 321.341 -1.464 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001402472201 925001749 /nfs/dbraw/zinc/00/17/49/925001749.db2.gz ZKHFLKBKVSBJPE-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001402459356 925001959 /nfs/dbraw/zinc/00/19/59/925001959.db2.gz CJWIKVNQPDEOBR-VIFPVBQESA-N 1 1 308.346 -1.282 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001402483795 925004425 /nfs/dbraw/zinc/00/44/25/925004425.db2.gz MCBUJYMAJZBVDL-WOPDTQHZSA-N 1 1 324.385 -1.104 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2c[nH]nn2)C1=O ZINC001402479252 925004961 /nfs/dbraw/zinc/00/49/61/925004961.db2.gz MNGHDKWYSGKRDB-LBPRGKRZSA-N 1 1 324.385 -1.622 20 0 DAADMO CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CCc2cnn[nH]2)C1=O ZINC001402479252 925004971 /nfs/dbraw/zinc/00/49/71/925004971.db2.gz MNGHDKWYSGKRDB-LBPRGKRZSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)S(C)(=O)=O ZINC001402503791 925006054 /nfs/dbraw/zinc/00/60/54/925006054.db2.gz ANPOFFJXGRRYPF-KYZUINATSA-N 1 1 316.387 -1.454 20 0 DAADMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)NC[C@H]1CCOC1 ZINC001402503858 925006105 /nfs/dbraw/zinc/00/61/05/925006105.db2.gz AZSSVHUZRNVTHO-GMTAPVOTSA-N 1 1 322.369 -1.192 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001402518973 925007679 /nfs/dbraw/zinc/00/76/79/925007679.db2.gz RTKGPUKVUYJZSO-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001402518973 925007689 /nfs/dbraw/zinc/00/76/89/925007689.db2.gz RTKGPUKVUYJZSO-NEPJUHHUSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001402518984 925007910 /nfs/dbraw/zinc/00/79/10/925007910.db2.gz RTKGPUKVUYJZSO-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001402518984 925007919 /nfs/dbraw/zinc/00/79/19/925007919.db2.gz RTKGPUKVUYJZSO-RYUDHWBXSA-N 1 1 310.358 -1.473 20 0 DAADMO Cc1ncc(C(=O)N(CCO)CC[NH2+][C@@H]2CCN(C)C2=O)[nH]1 ZINC001402527819 925009639 /nfs/dbraw/zinc/00/96/39/925009639.db2.gz BLWDSMUXTIMRJP-LLVKDONJSA-N 1 1 309.370 -1.027 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001402557060 925010427 /nfs/dbraw/zinc/01/04/27/925010427.db2.gz SEZXDNZTESQDCT-VIFPVBQESA-N 1 1 308.346 -1.282 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1cn[nH]c1)c1nnnn1C ZINC001402557058 925010888 /nfs/dbraw/zinc/01/08/88/925010888.db2.gz SEZXDNZTESQDCT-SECBINFHSA-N 1 1 308.346 -1.282 20 0 DAADMO Cn1ncc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)c1N ZINC001402564480 925011159 /nfs/dbraw/zinc/01/11/59/925011159.db2.gz OIAZEVATSQHFCN-AWEZNQCLSA-N 1 1 311.386 -1.059 20 0 DAADMO Cn1cnnc1C[NH2+]C1(CNC(=O)c2nnn(C)n2)CCC1 ZINC001402562897 925011488 /nfs/dbraw/zinc/01/14/88/925011488.db2.gz SCNDBRXRNJHRJI-UHFFFAOYSA-N 1 1 305.346 -1.219 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 ZINC001402558075 925011768 /nfs/dbraw/zinc/01/17/68/925011768.db2.gz KJKALSFDEOITSX-JTQLQIEISA-N 1 1 321.385 -1.135 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(CO)CCC[N@H+](C[C@H](C)O)C2)C1 ZINC001402566031 925012048 /nfs/dbraw/zinc/01/20/48/925012048.db2.gz QUSPPMDDACKZSG-NHYWBVRUSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001402579673 925012608 /nfs/dbraw/zinc/01/26/08/925012608.db2.gz ULSBIRGATDTXLJ-MRVPVSSYSA-N 1 1 308.346 -1.980 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001402647745 925019015 /nfs/dbraw/zinc/01/90/15/925019015.db2.gz HKZZVGZZOPMAJY-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO COCC[N@@H+](C)CCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001402652508 925019243 /nfs/dbraw/zinc/01/92/43/925019243.db2.gz XBNLPWHEJUXVQJ-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001402649671 925019425 /nfs/dbraw/zinc/01/94/25/925019425.db2.gz QDSOPJXWVJXJMS-SNVBAGLBSA-N 1 1 309.374 -1.165 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)C(C)(C)NS(C)(=O)=O ZINC001402650898 925019747 /nfs/dbraw/zinc/01/97/47/925019747.db2.gz CJZATJXPHUFFOE-UHFFFAOYSA-N 1 1 322.431 -1.420 20 0 DAADMO CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001402640715 925020702 /nfs/dbraw/zinc/02/07/02/925020702.db2.gz CPZNRHQHVKGUJM-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cnnn1)CO2 ZINC001402692132 925021899 /nfs/dbraw/zinc/02/18/99/925021899.db2.gz JSPAJLREHTUEMM-VXGBXAGGSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001402665039 925022050 /nfs/dbraw/zinc/02/20/50/925022050.db2.gz RWYOYHOAMZLJER-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001402734856 925024676 /nfs/dbraw/zinc/02/46/76/925024676.db2.gz IENWWMVXZQJMQC-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001402734856 925024685 /nfs/dbraw/zinc/02/46/85/925024685.db2.gz IENWWMVXZQJMQC-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001402734858 925025017 /nfs/dbraw/zinc/02/50/17/925025017.db2.gz IENWWMVXZQJMQC-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001402734858 925025025 /nfs/dbraw/zinc/02/50/25/925025025.db2.gz IENWWMVXZQJMQC-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 ZINC001402722399 925025520 /nfs/dbraw/zinc/02/55/20/925025520.db2.gz ZXYUIXHTEMLLBC-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC1 ZINC001402722399 925025528 /nfs/dbraw/zinc/02/55/28/925025528.db2.gz ZXYUIXHTEMLLBC-LBPRGKRZSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001402765628 925026408 /nfs/dbraw/zinc/02/64/08/925026408.db2.gz OESMKRNOJQFNPR-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(C[NH2+]Cc2cnon2)CCOCC1 ZINC001402760877 925026489 /nfs/dbraw/zinc/02/64/89/925026489.db2.gz SNIDNOWZEGOSHG-MNOVXSKESA-N 1 1 323.353 -1.054 20 0 DAADMO COC[C@@H](O)C[NH2+]CC1(NC(=O)c2ncn[nH]2)CCOCC1 ZINC001402746287 925027334 /nfs/dbraw/zinc/02/73/34/925027334.db2.gz DLAHGLLYKWRFGP-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO COC[C@@H](O)C[NH2+]CC1(NC(=O)c2nc[nH]n2)CCOCC1 ZINC001402746287 925027343 /nfs/dbraw/zinc/02/73/43/925027343.db2.gz DLAHGLLYKWRFGP-JTQLQIEISA-N 1 1 313.358 -1.319 20 0 DAADMO C[C@H](NC(=O)Cn1ncnn1)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001402762682 925028293 /nfs/dbraw/zinc/02/82/93/925028293.db2.gz HVVFSAGRBCRMPP-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@H]1CCOC1 ZINC001402777810 925029947 /nfs/dbraw/zinc/02/99/47/925029947.db2.gz JTXYEGONVFUZSM-XOBFJNJYSA-N 1 1 314.382 -1.154 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC001402816056 925030754 /nfs/dbraw/zinc/03/07/54/925030754.db2.gz FWTSAPSMXFCKDO-MNOVXSKESA-N 1 1 322.431 -1.608 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001402815412 925031345 /nfs/dbraw/zinc/03/13/45/925031345.db2.gz UPBLFPFITCOXRX-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CC(N)=O ZINC001402815412 925031354 /nfs/dbraw/zinc/03/13/54/925031354.db2.gz UPBLFPFITCOXRX-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC001402809286 925031911 /nfs/dbraw/zinc/03/19/11/925031911.db2.gz APIGEASIFMYSEA-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001402858617 925032835 /nfs/dbraw/zinc/03/28/35/925032835.db2.gz SXIVFUYEPZSWFQ-VIFPVBQESA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C1CC1 ZINC001402871040 925036019 /nfs/dbraw/zinc/03/60/19/925036019.db2.gz SFTBKXKPFKNQEA-LLVKDONJSA-N 1 1 323.401 -1.066 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1)[NH2+]Cc1nnnn1C1CC1 ZINC001402871044 925037097 /nfs/dbraw/zinc/03/70/97/925037097.db2.gz SFTBKXKPFKNQEA-NSHDSACASA-N 1 1 323.401 -1.066 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001402896520 925037769 /nfs/dbraw/zinc/03/77/69/925037769.db2.gz RRMXAPMWTAFTSX-JTQLQIEISA-N 1 1 312.374 -1.486 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001402896531 925038298 /nfs/dbraw/zinc/03/82/98/925038298.db2.gz RRMXAPMWTAFTSX-SNVBAGLBSA-N 1 1 312.374 -1.486 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001402895784 925038315 /nfs/dbraw/zinc/03/83/15/925038315.db2.gz VVKJDRYTIBJFFP-JTQLQIEISA-N 1 1 317.415 -1.046 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001402896175 925038862 /nfs/dbraw/zinc/03/88/62/925038862.db2.gz QRCVYSAOBQBREE-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nccn1C ZINC001402890322 925039082 /nfs/dbraw/zinc/03/90/82/925039082.db2.gz HWBJRSMCRDDWRX-SNVBAGLBSA-N 1 1 317.415 -1.046 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1cnn(C)n1 ZINC001402923098 925040296 /nfs/dbraw/zinc/04/02/96/925040296.db2.gz CZPVKLRWKMXHBS-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+][C@@H](C)c1nncn1C ZINC001402900323 925040461 /nfs/dbraw/zinc/04/04/61/925040461.db2.gz BPXNSOZIUCPEHK-QWRGUYRKSA-N 1 1 324.385 -1.171 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001402898672 925040804 /nfs/dbraw/zinc/04/08/04/925040804.db2.gz VVRKULSZIAPMCF-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1ncccn1 ZINC001402900719 925041754 /nfs/dbraw/zinc/04/17/54/925041754.db2.gz ZAQSYQYCJKRJIR-SNVBAGLBSA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001402945969 925042133 /nfs/dbraw/zinc/04/21/33/925042133.db2.gz XJSMYLPCNHMJHR-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO COCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001402937280 925042604 /nfs/dbraw/zinc/04/26/04/925042604.db2.gz ZTRNIMYGGIPMCH-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CCCS(N)(=O)=O ZINC001402942923 925043682 /nfs/dbraw/zinc/04/36/82/925043682.db2.gz XFLLIALDNKOEEX-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001402983726 925044141 /nfs/dbraw/zinc/04/41/41/925044141.db2.gz XFAKKNLJMFXORU-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)c2cnn(C)n2)CC[N@H+]1CC(=O)NC(N)=O ZINC001402983726 925044153 /nfs/dbraw/zinc/04/41/53/925044153.db2.gz XFAKKNLJMFXORU-IUCAKERBSA-N 1 1 323.357 -1.407 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001402969975 925044637 /nfs/dbraw/zinc/04/46/37/925044637.db2.gz FWLUXVFUPCVFLQ-IUCAKERBSA-N 1 1 319.387 -1.008 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001402971844 925045100 /nfs/dbraw/zinc/04/51/00/925045100.db2.gz ATCBGMVVESMJOV-CABZTGNLSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001402971851 925045150 /nfs/dbraw/zinc/04/51/50/925045150.db2.gz ATCBGMVVESMJOV-JOYOIKCWSA-N 1 1 321.385 -1.036 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnnn1C1CC1 ZINC001403008730 925046408 /nfs/dbraw/zinc/04/64/08/925046408.db2.gz RTSOWNWBJYIYMI-QNSHHTMESA-N 1 1 307.358 -1.276 20 0 DAADMO C[C@H](NC(=O)c1ncn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032747 925047054 /nfs/dbraw/zinc/04/70/54/925047054.db2.gz KXJMSJXFVVAIOH-IUCAKERBSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@H](NC(=O)c1nc[nH]n1)[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403032747 925047060 /nfs/dbraw/zinc/04/70/60/925047060.db2.gz KXJMSJXFVVAIOH-IUCAKERBSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)c1ncn[nH]1 ZINC001403032647 925047373 /nfs/dbraw/zinc/04/73/73/925047373.db2.gz KXJMSJXFVVAIOH-BDAKNGLRSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001403032647 925047379 /nfs/dbraw/zinc/04/73/79/925047379.db2.gz KXJMSJXFVVAIOH-BDAKNGLRSA-N 1 1 323.357 -2.141 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001402999607 925047919 /nfs/dbraw/zinc/04/79/19/925047919.db2.gz IXAUFWNOOCCYAI-AEJSXWLSSA-N 1 1 309.374 -1.294 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403066576 925048960 /nfs/dbraw/zinc/04/89/60/925048960.db2.gz YBJVMRPVLTXIDG-VHSXEESVSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001403049621 925048978 /nfs/dbraw/zinc/04/89/78/925048978.db2.gz FPCRFXZUEIXUFI-YUMQZZPRSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnc[nH]1)[NH2+]CCN(C)S(C)(=O)=O ZINC001403062334 925049382 /nfs/dbraw/zinc/04/93/82/925049382.db2.gz VMHLAAIEKLRONL-JTQLQIEISA-N 1 1 317.415 -1.062 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001403049598 925049907 /nfs/dbraw/zinc/04/99/07/925049907.db2.gz FPCRFXZUEIXUFI-HTQZYQBOSA-N 1 1 319.391 -2.258 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1nncn1C ZINC001403059280 925049951 /nfs/dbraw/zinc/04/99/51/925049951.db2.gz RXGKJXKMVZHBTC-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](NC(=O)CCn1cnnn1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001403066569 925050431 /nfs/dbraw/zinc/05/04/31/925050431.db2.gz YBJVMRPVLTXIDG-UWVGGRQHSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H](CNC(=O)CS(=O)(=O)N(C)C)[NH2+]Cc1ncnn1C ZINC001403117195 925052146 /nfs/dbraw/zinc/05/21/46/925052146.db2.gz QINNYAJUYDUDSQ-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@H+](C)CCNS(C)(=O)=O ZINC001403118446 925052195 /nfs/dbraw/zinc/05/21/95/925052195.db2.gz QQEHHWDVYMOUNI-SNVBAGLBSA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@H](CNC(=O)C1=COCCO1)[N@@H+](C)CCNS(C)(=O)=O ZINC001403118446 925052204 /nfs/dbraw/zinc/05/22/04/925052204.db2.gz QQEHHWDVYMOUNI-SNVBAGLBSA-N 1 1 321.399 -1.140 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111454 925052586 /nfs/dbraw/zinc/05/25/86/925052586.db2.gz ICUMXOYOEZLJIJ-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)Cc1nnnn1C ZINC001403111454 925052596 /nfs/dbraw/zinc/05/25/96/925052596.db2.gz ICUMXOYOEZLJIJ-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001403120748 925053521 /nfs/dbraw/zinc/05/35/21/925053521.db2.gz OZHZFTLGRMRBGK-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001403120748 925053532 /nfs/dbraw/zinc/05/35/32/925053532.db2.gz OZHZFTLGRMRBGK-UWVGGRQHSA-N 1 1 316.358 -1.706 20 0 DAADMO C[C@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[N@H+](C)CC(N)=O ZINC001403143413 925053598 /nfs/dbraw/zinc/05/35/98/925053598.db2.gz OCGQPTAWIMFOSW-MRVPVSSYSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[N@@H+](C)CC(N)=O ZINC001403143413 925053607 /nfs/dbraw/zinc/05/36/07/925053607.db2.gz OCGQPTAWIMFOSW-MRVPVSSYSA-N 1 1 321.337 -1.052 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001403120739 925054362 /nfs/dbraw/zinc/05/43/62/925054362.db2.gz OZHZFTLGRMRBGK-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001403120739 925054372 /nfs/dbraw/zinc/05/43/72/925054372.db2.gz OZHZFTLGRMRBGK-NXEZZACHSA-N 1 1 316.358 -1.706 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nccn1C ZINC001403134829 925054624 /nfs/dbraw/zinc/05/46/24/925054624.db2.gz IFHCHMJRJYJEJQ-ZJUUUORDSA-N 1 1 315.399 -1.294 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001403130063 925054993 /nfs/dbraw/zinc/05/49/93/925054993.db2.gz LDZSEJIOIXWFJD-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001403130063 925055003 /nfs/dbraw/zinc/05/50/03/925055003.db2.gz LDZSEJIOIXWFJD-SNVBAGLBSA-N 1 1 322.431 -1.550 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1nccn1C ZINC001403134805 925055272 /nfs/dbraw/zinc/05/52/72/925055272.db2.gz IFHCHMJRJYJEJQ-NXEZZACHSA-N 1 1 315.399 -1.294 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncnn1C ZINC001403147995 925055606 /nfs/dbraw/zinc/05/56/06/925055606.db2.gz UJBOCWTXLFIEIV-DTWKUNHWSA-N 1 1 316.387 -1.899 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001403129694 925055856 /nfs/dbraw/zinc/05/58/56/925055856.db2.gz IIOQSCQFBGFIMB-GHMZBOCLSA-N 1 1 314.386 -1.536 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O)n1C ZINC001403178152 925056949 /nfs/dbraw/zinc/05/69/49/925056949.db2.gz ZWPVTIMQPWTXJV-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1ncc(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O)n1C ZINC001403178152 925056957 /nfs/dbraw/zinc/05/69/57/925056957.db2.gz ZWPVTIMQPWTXJV-QMMMGPOBSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)nn2c1 ZINC001403156282 925057424 /nfs/dbraw/zinc/05/74/24/925057424.db2.gz WQJUNYUQLDUAPL-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO Cc1cnc2nc(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)nn2c1 ZINC001403156282 925057435 /nfs/dbraw/zinc/05/74/35/925057435.db2.gz WQJUNYUQLDUAPL-SECBINFHSA-N 1 1 305.342 -1.032 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001403174034 925057915 /nfs/dbraw/zinc/05/79/15/925057915.db2.gz GPNLBGZPWQQHHX-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001403174034 925057925 /nfs/dbraw/zinc/05/79/25/925057925.db2.gz GPNLBGZPWQQHHX-SECBINFHSA-N 1 1 310.358 -1.156 20 0 DAADMO C[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)[N@H+](C)CC(N)=O ZINC001403180944 925058933 /nfs/dbraw/zinc/05/89/33/925058933.db2.gz JRCGWZFAGURXCS-SCZZXKLOSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)[N@@H+](C)CC(N)=O ZINC001403180944 925058939 /nfs/dbraw/zinc/05/89/39/925058939.db2.gz JRCGWZFAGURXCS-SCZZXKLOSA-N 1 1 301.391 -1.009 20 0 DAADMO COC[C@@H](O)CN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001403199335 925058999 /nfs/dbraw/zinc/05/89/99/925058999.db2.gz KOVFSNKVWLCGIB-STQMWFEESA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1cnnc1CN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001403197469 925059024 /nfs/dbraw/zinc/05/90/24/925059024.db2.gz KGNZWAKZQADYKS-GFCCVEGCSA-N 1 1 322.413 -1.038 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[N@@H+](C)CCN1CCNC1=O ZINC001403184851 925059315 /nfs/dbraw/zinc/05/93/15/925059315.db2.gz WWYDFLXKZYRTON-SNVBAGLBSA-N 1 1 322.369 -1.155 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[N@H+](C)CC(N)=O ZINC001403180945 925059432 /nfs/dbraw/zinc/05/94/32/925059432.db2.gz JRCGWZFAGURXCS-WCBMZHEXSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[N@@H+](C)CC(N)=O ZINC001403180945 925059441 /nfs/dbraw/zinc/05/94/41/925059441.db2.gz JRCGWZFAGURXCS-WCBMZHEXSA-N 1 1 301.391 -1.009 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@H+](C)[C@H](C)C(N)=O ZINC001403206515 925061088 /nfs/dbraw/zinc/06/10/88/925061088.db2.gz SPNBGOHJSUCGAB-NXEZZACHSA-N 1 1 319.369 -1.023 20 0 DAADMO C[C@H](CNC(=O)Cc1nc2ncccn2n1)[N@@H+](C)[C@H](C)C(N)=O ZINC001403206515 925061093 /nfs/dbraw/zinc/06/10/93/925061093.db2.gz SPNBGOHJSUCGAB-NXEZZACHSA-N 1 1 319.369 -1.023 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001403208004 925061585 /nfs/dbraw/zinc/06/15/85/925061585.db2.gz CQDBUDHMNFCFHA-UHFFFAOYSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001403221481 925062806 /nfs/dbraw/zinc/06/28/06/925062806.db2.gz MMSGNCCKUHXLGV-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1)NC(N)=O ZINC001403221480 925062978 /nfs/dbraw/zinc/06/29/78/925062978.db2.gz MMSGNCCKUHXLGV-NXEZZACHSA-N 1 1 324.389 -1.405 20 0 DAADMO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CN2CCOCC2)C1 ZINC001403216436 925063414 /nfs/dbraw/zinc/06/34/14/925063414.db2.gz FBFWLUOHGQXCFK-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403226895 925064535 /nfs/dbraw/zinc/06/45/35/925064535.db2.gz VKUQHLHMKNCQEE-UTUOFQBUSA-N 1 1 316.402 -1.027 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2(CCO)CN(CC(N)=O)C2)CC[N@H+]1C ZINC001403233505 925064791 /nfs/dbraw/zinc/06/47/91/925064791.db2.gz YICTVRKMRKDNAF-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403226908 925064821 /nfs/dbraw/zinc/06/48/21/925064821.db2.gz VKUQHLHMKNCQEE-WOPDTQHZSA-N 1 1 316.402 -1.027 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001403244360 925065937 /nfs/dbraw/zinc/06/59/37/925065937.db2.gz OAJDCXZEWVDFCL-RYUDHWBXSA-N 1 1 313.398 -1.021 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2[nH]nnc2C)C1 ZINC001403250911 925067037 /nfs/dbraw/zinc/06/70/37/925067037.db2.gz VGKILUWRRPOZRN-SECBINFHSA-N 1 1 323.357 -1.380 20 0 DAADMO O=C(Cc1nc[nH]n1)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001403240508 925067226 /nfs/dbraw/zinc/06/72/26/925067226.db2.gz WJDQPWWGGUHTFF-LLVKDONJSA-N 1 1 309.370 -1.063 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)Cn3cnnn3)C2)C1=O ZINC001403297025 925068924 /nfs/dbraw/zinc/06/89/24/925068924.db2.gz JRXVEKNQUCNBNK-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001403262385 925068952 /nfs/dbraw/zinc/06/89/52/925068952.db2.gz BGZQDBPZBLETEG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001403262385 925068961 /nfs/dbraw/zinc/06/89/61/925068961.db2.gz BGZQDBPZBLETEG-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H](NC(=O)CCNC(N)=O)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001403323694 925070188 /nfs/dbraw/zinc/07/01/88/925070188.db2.gz FPSFVNBEEKYVFO-SECBINFHSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H](NC(=O)CCCS(N)(=O)=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403316071 925070266 /nfs/dbraw/zinc/07/02/66/925070266.db2.gz DHXQTDNLCDZNLI-BDAKNGLRSA-N 1 1 320.415 -1.635 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403325207 925070361 /nfs/dbraw/zinc/07/03/61/925070361.db2.gz KBBLVLKJVSXPGH-SNVBAGLBSA-N 1 1 313.402 -1.040 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001403314081 925070760 /nfs/dbraw/zinc/07/07/60/925070760.db2.gz GTQGTVGEXNXBIZ-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403310687 925071031 /nfs/dbraw/zinc/07/10/31/925071031.db2.gz YORTXSGFSMABGQ-NXEZZACHSA-N 1 1 314.386 -1.599 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001403330873 925071756 /nfs/dbraw/zinc/07/17/56/925071756.db2.gz OZTDHIZTQZFLMB-LBPRGKRZSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001403330873 925071766 /nfs/dbraw/zinc/07/17/66/925071766.db2.gz OZTDHIZTQZFLMB-LBPRGKRZSA-N 1 1 301.387 -1.748 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403342662 925072065 /nfs/dbraw/zinc/07/20/65/925072065.db2.gz LZADPCTTYPDKEK-HTQZYQBOSA-N 1 1 306.388 -2.154 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001403330863 925072109 /nfs/dbraw/zinc/07/21/09/925072109.db2.gz OZTDHIZTQZFLMB-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001403330863 925072116 /nfs/dbraw/zinc/07/21/16/925072116.db2.gz OZTDHIZTQZFLMB-GFCCVEGCSA-N 1 1 301.387 -1.748 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)CC1(C)C ZINC001403363690 925073806 /nfs/dbraw/zinc/07/38/06/925073806.db2.gz OCVOBGMFMAIDEX-SNVBAGLBSA-N 1 1 313.402 -1.170 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC001403363690 925073816 /nfs/dbraw/zinc/07/38/16/925073816.db2.gz OCVOBGMFMAIDEX-SNVBAGLBSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001403374405 925073872 /nfs/dbraw/zinc/07/38/72/925073872.db2.gz FUVVMYWFLOFLNG-ZDEQEGDKSA-N 1 1 310.398 -1.514 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC001403364907 925074102 /nfs/dbraw/zinc/07/41/02/925074102.db2.gz NURGHZSEULXDBN-VHSXEESVSA-N 1 1 312.374 -1.342 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001403359544 925074859 /nfs/dbraw/zinc/07/48/59/925074859.db2.gz VZZPCAFZEAUZHD-SNVBAGLBSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@@H](CCNC(=O)CN1CCCNC1=O)[NH2+]Cc1nnn(C)n1 ZINC001403415496 925075225 /nfs/dbraw/zinc/07/52/25/925075225.db2.gz IPZOYYJQSRBFCX-JTQLQIEISA-N 1 1 324.389 -1.390 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC)[C@@H]2C1 ZINC001403393999 925075272 /nfs/dbraw/zinc/07/52/72/925075272.db2.gz XCNARPWOXHXXBR-RTCCRHLQSA-N 1 1 312.370 -1.228 20 0 DAADMO Cc1noc(C[NH2+][C@H](C)CCNC(=O)Cn2ncn(C)c2=O)n1 ZINC001403406669 925075652 /nfs/dbraw/zinc/07/56/52/925075652.db2.gz LGKYCKFLDZMZCW-SECBINFHSA-N 1 1 323.357 -1.042 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001403403130 925075672 /nfs/dbraw/zinc/07/56/72/925075672.db2.gz FGOMLGJIHMPAHN-WISYIIOYSA-N 1 1 319.369 -1.754 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001403388689 925075892 /nfs/dbraw/zinc/07/58/92/925075892.db2.gz YTMGPSDYWHNUBL-XWLWVQCSSA-N 1 1 307.358 -1.898 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCNC(N)=O)[C@@H]3C2)C1=O ZINC001403400145 925076155 /nfs/dbraw/zinc/07/61/55/925076155.db2.gz DLWZBOOVPYFSOE-YFKTTZPYSA-N 1 1 323.397 -1.431 20 0 DAADMO C[C@@H](CC(=O)N1CC2(C1)CCC[N@H+](CC(N)=O)C2)NC(N)=O ZINC001403416745 925076172 /nfs/dbraw/zinc/07/61/72/925076172.db2.gz WMMNWIYJHCAPBV-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@@H](CC(=O)N1CC2(C1)CCC[N@@H+](CC(N)=O)C2)NC(N)=O ZINC001403416745 925076179 /nfs/dbraw/zinc/07/61/79/925076179.db2.gz WMMNWIYJHCAPBV-JTQLQIEISA-N 1 1 311.386 -1.157 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001403386368 925076295 /nfs/dbraw/zinc/07/62/95/925076295.db2.gz VSVKCIOONKGJOD-RTCCRHLQSA-N 1 1 307.358 -1.897 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001403420001 925077361 /nfs/dbraw/zinc/07/73/61/925077361.db2.gz POAHUISFJMUXPG-FIQHERPVSA-N 1 1 319.427 -1.136 20 0 DAADMO CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1nnn(C)n1)C(C)C ZINC001403460780 925078241 /nfs/dbraw/zinc/07/82/41/925078241.db2.gz FODORAHFHGSSBA-LLVKDONJSA-N 1 1 311.390 -1.033 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001403463451 925079940 /nfs/dbraw/zinc/07/99/40/925079940.db2.gz BLBXKTCDQQQAFI-LBPRGKRZSA-N 1 1 316.402 -1.025 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC001403505123 925080403 /nfs/dbraw/zinc/08/04/03/925080403.db2.gz ATBHHUUTNWQVRH-LLVKDONJSA-N 1 1 313.358 -1.352 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001403505143 925080968 /nfs/dbraw/zinc/08/09/68/925080968.db2.gz ATBHHUUTNWQVRH-NSHDSACASA-N 1 1 313.358 -1.352 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403514598 925082382 /nfs/dbraw/zinc/08/23/82/925082382.db2.gz CQEBYQXDKFYAKR-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC001403514598 925082393 /nfs/dbraw/zinc/08/23/93/925082393.db2.gz CQEBYQXDKFYAKR-ZJUUUORDSA-N 1 1 300.359 -1.085 20 0 DAADMO CN(CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O)S(C)(=O)=O ZINC001403561121 925083300 /nfs/dbraw/zinc/08/33/00/925083300.db2.gz FGJCEGLMFGADOJ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CN(CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O)S(C)(=O)=O ZINC001403561121 925083303 /nfs/dbraw/zinc/08/33/03/925083303.db2.gz FGJCEGLMFGADOJ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001403571612 925085387 /nfs/dbraw/zinc/08/53/87/925085387.db2.gz RRFPDUCAQFCSNJ-RKDXNWHRSA-N 1 1 312.378 -1.363 20 0 DAADMO C[C@@H]1CC[C@H](C[N@@H+](C)CCNC(=O)Cn2cnc(C(N)=O)n2)O1 ZINC001403571144 925085979 /nfs/dbraw/zinc/08/59/79/925085979.db2.gz ZYKMUFIMZYNNTB-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403568976 925086238 /nfs/dbraw/zinc/08/62/38/925086238.db2.gz UWQQBIWTJPDSQJ-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403568976 925086248 /nfs/dbraw/zinc/08/62/48/925086248.db2.gz UWQQBIWTJPDSQJ-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO Cn1cnc(C(=O)NCC[N@@H+](C)CCN2CCNC2=O)cc1=O ZINC001403587865 925086630 /nfs/dbraw/zinc/08/66/30/925086630.db2.gz GLCKEOPVJUKFPO-UHFFFAOYSA-N 1 1 322.369 -1.533 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001403600356 925088314 /nfs/dbraw/zinc/08/83/14/925088314.db2.gz ZSSKORCUYDGBFU-KOLCDFICSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001403596505 925088635 /nfs/dbraw/zinc/08/86/35/925088635.db2.gz VCCKQCYWZNFIEV-ONGXEEELSA-N 1 1 309.374 -1.084 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001403608648 925088806 /nfs/dbraw/zinc/08/88/06/925088806.db2.gz PCSJRWINMGYRGU-SNVBAGLBSA-N 1 1 313.358 -2.825 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001403608648 925088816 /nfs/dbraw/zinc/08/88/16/925088816.db2.gz PCSJRWINMGYRGU-SNVBAGLBSA-N 1 1 313.358 -2.825 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1ccoc1)N1CCNC(=O)C1 ZINC001403643947 925092564 /nfs/dbraw/zinc/09/25/64/925092564.db2.gz HSMNJYGRIJOYLH-LLVKDONJSA-N 1 1 324.337 -2.082 20 0 DAADMO CS(=O)(=O)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001403645837 925093095 /nfs/dbraw/zinc/09/30/95/925093095.db2.gz KMQBQMHSEXOJHB-NSHDSACASA-N 1 1 301.368 -1.307 20 0 DAADMO CC(C)(F)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001403642133 925094206 /nfs/dbraw/zinc/09/42/06/925094206.db2.gz DFCKVILBXVZHAD-VIFPVBQESA-N 1 1 318.349 -2.240 20 0 DAADMO Cn1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001403650240 925096287 /nfs/dbraw/zinc/09/62/87/925096287.db2.gz DOCUSVTVDZNNGD-STQMWFEESA-N 1 1 311.386 -1.683 20 0 DAADMO Cn1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001403650240 925096296 /nfs/dbraw/zinc/09/62/96/925096296.db2.gz DOCUSVTVDZNNGD-STQMWFEESA-N 1 1 311.386 -1.683 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1csnn1 ZINC001403650676 925097638 /nfs/dbraw/zinc/09/76/38/925097638.db2.gz VVBMYPVOMYXIIS-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1csnn1 ZINC001403650676 925097648 /nfs/dbraw/zinc/09/76/48/925097648.db2.gz VVBMYPVOMYXIIS-LURJTMIESA-N 1 1 300.344 -1.217 20 0 DAADMO Cc1nnc(CC(=O)NC[C@H](CO)[NH2+]Cc2nccn2C)o1 ZINC001403650608 925097920 /nfs/dbraw/zinc/09/79/20/925097920.db2.gz INJCGXBEROYLIP-SNVBAGLBSA-N 1 1 308.342 -1.079 20 0 DAADMO C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1)n1cncn1 ZINC001403653174 925098892 /nfs/dbraw/zinc/09/88/92/925098892.db2.gz JIGXKOGADXMLBI-BDAKNGLRSA-N 1 1 311.371 -1.043 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1)n1cncn1 ZINC001403653200 925098939 /nfs/dbraw/zinc/09/89/39/925098939.db2.gz JIGXKOGADXMLBI-IUCAKERBSA-N 1 1 311.371 -1.043 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(C)=O)n1 ZINC001403654082 925099314 /nfs/dbraw/zinc/09/93/14/925099314.db2.gz QHRHDMKWUHDESY-GWCFXTLKSA-N 1 1 311.386 -1.006 20 0 DAADMO Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001403654015 925099582 /nfs/dbraw/zinc/09/95/82/925099582.db2.gz IYXHKAQNTVDXFI-OLZOCXBDSA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1ncc(CN[C@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001403654807 925100868 /nfs/dbraw/zinc/10/08/68/925100868.db2.gz ABQCVWPRZMWPRZ-LBPRGKRZSA-N 1 1 310.402 -1.134 20 0 DAADMO Cc1ncc(C[NH2+][C@@H](CO)CNC(=O)CN2CCOCC2)o1 ZINC001403654610 925100932 /nfs/dbraw/zinc/10/09/32/925100932.db2.gz KZFBGEKSZDBBMO-GFCCVEGCSA-N 1 1 312.370 -1.118 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCCN(C)C2=O)NC1=O ZINC001403659266 925102035 /nfs/dbraw/zinc/10/20/35/925102035.db2.gz MMGRBKYCYKJVSK-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCCN(C)C2=O)NC1=O ZINC001403659266 925102041 /nfs/dbraw/zinc/10/20/41/925102041.db2.gz MMGRBKYCYKJVSK-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CN2CCOCC2)on1 ZINC001403659788 925102818 /nfs/dbraw/zinc/10/28/18/925102818.db2.gz OIHSSYLJGRYSQZ-GFCCVEGCSA-N 1 1 312.370 -1.118 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1CC ZINC001403661575 925104979 /nfs/dbraw/zinc/10/49/79/925104979.db2.gz UCQAJWVYUIKJAP-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001403663366 925106167 /nfs/dbraw/zinc/10/61/67/925106167.db2.gz QKTBWCMCEHHPRY-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)=O ZINC001403663376 925106307 /nfs/dbraw/zinc/10/63/07/925106307.db2.gz WABYTAGLISHWCZ-LLVKDONJSA-N 1 1 312.374 -1.657 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cc3n(n2)CCO3)n1 ZINC001403664256 925107066 /nfs/dbraw/zinc/10/70/66/925107066.db2.gz HDWFUFCTBLNKNT-LLVKDONJSA-N 1 1 320.353 -1.111 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1CCC1 ZINC001403664096 925107102 /nfs/dbraw/zinc/10/71/02/925107102.db2.gz GWNJSIDZZMEQMS-VIFPVBQESA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1CCC1 ZINC001403664096 925107108 /nfs/dbraw/zinc/10/71/08/925107108.db2.gz GWNJSIDZZMEQMS-VIFPVBQESA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1CCC1 ZINC001403664082 925107146 /nfs/dbraw/zinc/10/71/46/925107146.db2.gz GWNJSIDZZMEQMS-SECBINFHSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NCC(=O)NC(N)=O)C1CCC1 ZINC001403664082 925107154 /nfs/dbraw/zinc/10/71/54/925107154.db2.gz GWNJSIDZZMEQMS-SECBINFHSA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(CCn1ccnn1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001403669769 925108187 /nfs/dbraw/zinc/10/81/87/925108187.db2.gz NKGQOUBNBNOEEB-SECBINFHSA-N 1 1 311.371 -1.213 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)c1cnn[nH]1 ZINC001403668207 925108301 /nfs/dbraw/zinc/10/83/01/925108301.db2.gz JOSPHOGSOOOBSK-NKWVEPMBSA-N 1 1 311.264 -1.202 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCN(C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001403670149 925108431 /nfs/dbraw/zinc/10/84/31/925108431.db2.gz SDWGFNLATVVMKC-QWRGUYRKSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(CCn1ccnn1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001403669771 925108896 /nfs/dbraw/zinc/10/88/96/925108896.db2.gz NKGQOUBNBNOEEB-VIFPVBQESA-N 1 1 311.371 -1.213 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001403669454 925109153 /nfs/dbraw/zinc/10/91/53/925109153.db2.gz MBFPLLJMDQHYGC-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001403674660 925109997 /nfs/dbraw/zinc/10/99/97/925109997.db2.gz NDKTYNCYFHCVJX-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CCCS(N)(=O)=O)C1=O ZINC001403674660 925110003 /nfs/dbraw/zinc/11/00/03/925110003.db2.gz NDKTYNCYFHCVJX-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001403674477 925110270 /nfs/dbraw/zinc/11/02/70/925110270.db2.gz PPSRDVRXYKVCSK-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001403672887 925110441 /nfs/dbraw/zinc/11/04/41/925110441.db2.gz QKJSLZCIAJHKAO-SNVBAGLBSA-N 1 1 320.353 -1.606 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001403673228 925110802 /nfs/dbraw/zinc/11/08/02/925110802.db2.gz UQHVBXINZPLNDA-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO Cn1ncnc1CN[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001403673056 925110878 /nfs/dbraw/zinc/11/08/78/925110878.db2.gz GIECGBNUYQHTDN-RYUDHWBXSA-N 1 1 310.402 -1.134 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403675797 925112614 /nfs/dbraw/zinc/11/26/14/925112614.db2.gz UFMMBBDNSVEPRJ-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001403675797 925112620 /nfs/dbraw/zinc/11/26/20/925112620.db2.gz UFMMBBDNSVEPRJ-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO CC1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001403675595 925113161 /nfs/dbraw/zinc/11/31/61/925113161.db2.gz QEXPVIUTPJQGGO-JTQLQIEISA-N 1 1 312.370 -2.188 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001403682900 925113874 /nfs/dbraw/zinc/11/38/74/925113874.db2.gz JQLURPMSMPLSCS-NSHDSACASA-N 1 1 321.381 -1.099 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001403682900 925113880 /nfs/dbraw/zinc/11/38/80/925113880.db2.gz JQLURPMSMPLSCS-NSHDSACASA-N 1 1 321.381 -1.099 20 0 DAADMO C[C@@H]1COCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403682310 925114486 /nfs/dbraw/zinc/11/44/86/925114486.db2.gz HFFROOYUDSNZQC-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@@H]1COCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403682310 925114490 /nfs/dbraw/zinc/11/44/90/925114490.db2.gz HFFROOYUDSNZQC-NXEZZACHSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@@H]1COCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403682329 925114615 /nfs/dbraw/zinc/11/46/15/925114615.db2.gz HFFROOYUDSNZQC-ZJUUUORDSA-N 1 1 300.359 -1.098 20 0 DAADMO C[C@@H]1COCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403682329 925114618 /nfs/dbraw/zinc/11/46/18/925114618.db2.gz HFFROOYUDSNZQC-ZJUUUORDSA-N 1 1 300.359 -1.098 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CCNC2=O)nn1C ZINC001403682032 925114733 /nfs/dbraw/zinc/11/47/33/925114733.db2.gz WZSYHDFOKGORFG-WCQYABFASA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1ccccn1)C1CS(=O)(=O)C1 ZINC001403681642 925114741 /nfs/dbraw/zinc/11/47/41/925114741.db2.gz ZLEUARBWUDUPID-LBPRGKRZSA-N 1 1 313.379 -1.307 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001403688376 925116523 /nfs/dbraw/zinc/11/65/23/925116523.db2.gz XIMRKDHJCUBRFE-WDEREUQCSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001403688376 925116526 /nfs/dbraw/zinc/11/65/26/925116526.db2.gz XIMRKDHJCUBRFE-WDEREUQCSA-N 1 1 323.401 -1.192 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)[NH2+]Cc1c(C)noc1C ZINC001403684877 925116542 /nfs/dbraw/zinc/11/65/42/925116542.db2.gz UADPWIIKGRFVPT-SNVBAGLBSA-N 1 1 313.358 -1.213 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001403693909 925118094 /nfs/dbraw/zinc/11/80/94/925118094.db2.gz CQISWHDJDLLLNR-LBPRGKRZSA-N 1 1 300.403 -1.517 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001403693797 925118630 /nfs/dbraw/zinc/11/86/30/925118630.db2.gz FBTRJOHAEJOHHH-NSHDSACASA-N 1 1 317.415 -1.131 20 0 DAADMO CN(C)C(=O)CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001403693895 925119258 /nfs/dbraw/zinc/11/92/58/925119258.db2.gz CQISWHDJDLLLNR-GFCCVEGCSA-N 1 1 300.403 -1.517 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2n[nH]c(=O)[n-]2)CC1 ZINC001403699131 925120143 /nfs/dbraw/zinc/12/01/43/925120143.db2.gz JHAUYKZWJCJGNQ-JTQLQIEISA-N 1 1 312.374 -1.581 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001403697501 925120900 /nfs/dbraw/zinc/12/09/00/925120900.db2.gz CDEHSGJKIKZSSG-SNVBAGLBSA-N 1 1 318.337 -1.251 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnn(C)n2)n1 ZINC001403705420 925122843 /nfs/dbraw/zinc/12/28/43/925122843.db2.gz LBHFATBXVZRMHJ-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001403702184 925122914 /nfs/dbraw/zinc/12/29/14/925122914.db2.gz SRWSNDZWZPTREI-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403702184 925122916 /nfs/dbraw/zinc/12/29/16/925122916.db2.gz SRWSNDZWZPTREI-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CCN1CC[C@@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001403705656 925122992 /nfs/dbraw/zinc/12/29/92/925122992.db2.gz UEFMTURIZRYWKY-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCN1CC[C@@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001403705649 925123289 /nfs/dbraw/zinc/12/32/89/925123289.db2.gz UEFMTURIZRYWKY-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403708837 925125211 /nfs/dbraw/zinc/12/52/11/925125211.db2.gz YCISTSBKEZPIHO-UTUOFQBUSA-N 1 1 322.365 -1.222 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1 ZINC001403717030 925126641 /nfs/dbraw/zinc/12/66/41/925126641.db2.gz LZJQJRQDNBIYIM-LLVKDONJSA-N 1 1 309.370 -1.218 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O)c(=O)n1 ZINC001403717030 925126648 /nfs/dbraw/zinc/12/66/48/925126648.db2.gz LZJQJRQDNBIYIM-LLVKDONJSA-N 1 1 309.370 -1.218 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1ncccn1 ZINC001403715297 925127150 /nfs/dbraw/zinc/12/71/50/925127150.db2.gz KYEXXLSRTKMRJD-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1ncccn1 ZINC001403715297 925127156 /nfs/dbraw/zinc/12/71/56/925127156.db2.gz KYEXXLSRTKMRJD-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001403720386 925128310 /nfs/dbraw/zinc/12/83/10/925128310.db2.gz MTAWNPBBVVHUCY-WDEREUQCSA-N 1 1 316.402 -1.962 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cccnn1 ZINC001403720308 925129078 /nfs/dbraw/zinc/12/90/78/925129078.db2.gz UHGYWUKOLUXVNK-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cccnn1 ZINC001403720308 925129083 /nfs/dbraw/zinc/12/90/83/925129083.db2.gz UHGYWUKOLUXVNK-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C ZINC001403725443 925130271 /nfs/dbraw/zinc/13/02/71/925130271.db2.gz WJXPUOZSPXISGT-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C ZINC001403725443 925130278 /nfs/dbraw/zinc/13/02/78/925130278.db2.gz WJXPUOZSPXISGT-UWVGGRQHSA-N 1 1 300.359 -1.085 20 0 DAADMO O=C(CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CC1 ZINC001403724196 925130374 /nfs/dbraw/zinc/13/03/74/925130374.db2.gz KPSARUJXVFOHFV-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO C[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1cncn1)c1cnccn1 ZINC001403725923 925130801 /nfs/dbraw/zinc/13/08/01/925130801.db2.gz MZZMUSBVDSTZJZ-MNOVXSKESA-N 1 1 305.342 -1.104 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2[nH]nnc2C)n1 ZINC001403725210 925131010 /nfs/dbraw/zinc/13/10/10/925131010.db2.gz WCLKJVNJEZMRPC-JTQLQIEISA-N 1 1 321.341 -1.208 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723891 925131405 /nfs/dbraw/zinc/13/14/05/925131405.db2.gz JNIKZLCYUBDKOI-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCC(=O)NC(N)=O)C1 ZINC001403723891 925131409 /nfs/dbraw/zinc/13/14/09/925131409.db2.gz JNIKZLCYUBDKOI-UWVGGRQHSA-N 1 1 315.374 -2.410 20 0 DAADMO C[N@H+](CCNC(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCNC1=O ZINC001403741452 925134974 /nfs/dbraw/zinc/13/49/74/925134974.db2.gz SZUIJEPSROVHDS-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCNC1=O ZINC001403741452 925134981 /nfs/dbraw/zinc/13/49/81/925134981.db2.gz SZUIJEPSROVHDS-SNVBAGLBSA-N 1 1 318.337 -1.015 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)[C@H]1C ZINC001403743502 925135395 /nfs/dbraw/zinc/13/53/95/925135395.db2.gz CPNMQUMRQXNDRE-ZJUUUORDSA-N 1 1 309.374 -1.177 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751504 925137233 /nfs/dbraw/zinc/13/72/33/925137233.db2.gz QVYOAYUVSPTTMM-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCC(=O)N2CCCC2)C1 ZINC001403751504 925137238 /nfs/dbraw/zinc/13/72/38/925137238.db2.gz QVYOAYUVSPTTMM-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001403756784 925138756 /nfs/dbraw/zinc/13/87/56/925138756.db2.gz WMBKMKPJWSNZIJ-MNOVXSKESA-N 1 1 324.385 -1.470 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@H]1C ZINC001403764222 925139476 /nfs/dbraw/zinc/13/94/76/925139476.db2.gz YDLHFLOAIBYITL-BDAKNGLRSA-N 1 1 311.346 -1.355 20 0 DAADMO C[N@@H+](CCNC(=O)c1cn(CC(N)=O)nn1)C[C@@H]1CCCOC1 ZINC001403782415 925140173 /nfs/dbraw/zinc/14/01/73/925140173.db2.gz AOIHSCDEQKDLGB-NSHDSACASA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001403772064 925140336 /nfs/dbraw/zinc/14/03/36/925140336.db2.gz AMFDVCHLVFOXGM-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC001403772064 925140341 /nfs/dbraw/zinc/14/03/41/925140341.db2.gz AMFDVCHLVFOXGM-SNVBAGLBSA-N 1 1 323.353 -1.520 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001403771795 925140401 /nfs/dbraw/zinc/14/04/01/925140401.db2.gz HJYZLVGLQIQTDK-UHFFFAOYSA-N 1 1 323.375 -2.961 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CS(=O)(=O)NC ZINC001403771795 925140408 /nfs/dbraw/zinc/14/04/08/925140408.db2.gz HJYZLVGLQIQTDK-UHFFFAOYSA-N 1 1 323.375 -2.961 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCCN(C)[C@H](C)C(=O)NC(N)=O ZINC001403767855 925140689 /nfs/dbraw/zinc/14/06/89/925140689.db2.gz XOTKQLICQPZCGR-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ccnc1)C[C@H](O)CN1CCCC1=O ZINC001403799316 925142837 /nfs/dbraw/zinc/14/28/37/925142837.db2.gz BFMMUQKKBBDSQW-ZDUSSCGKSA-N 1 1 323.397 -1.086 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001403811884 925142923 /nfs/dbraw/zinc/14/29/23/925142923.db2.gz XUILTSVNGSBPBK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)[C@H]1C ZINC001403811884 925142925 /nfs/dbraw/zinc/14/29/25/925142925.db2.gz XUILTSVNGSBPBK-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCCC(N)=O ZINC001403793467 925143440 /nfs/dbraw/zinc/14/34/40/925143440.db2.gz FWDYUUGFUVWZRR-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCCC(N)=O ZINC001403793467 925143447 /nfs/dbraw/zinc/14/34/47/925143447.db2.gz FWDYUUGFUVWZRR-UHFFFAOYSA-N 1 1 301.347 -1.854 20 0 DAADMO CN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001403796652 925143562 /nfs/dbraw/zinc/14/35/62/925143562.db2.gz YADWHQRDPINIMM-SNVBAGLBSA-N 1 1 323.357 -2.344 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn(CC(N)=O)nn2)C1=O ZINC001403796652 925143568 /nfs/dbraw/zinc/14/35/68/925143568.db2.gz YADWHQRDPINIMM-SNVBAGLBSA-N 1 1 323.357 -2.344 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001403797215 925143842 /nfs/dbraw/zinc/14/38/42/925143842.db2.gz WIFAEVUGXZPSFQ-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)[C@H]1C ZINC001403797215 925143846 /nfs/dbraw/zinc/14/38/46/925143846.db2.gz WIFAEVUGXZPSFQ-WCBMZHEXSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1nonc1C ZINC001403818892 925144530 /nfs/dbraw/zinc/14/45/30/925144530.db2.gz OWPYMPXEXWAFET-NSHDSACASA-N 1 1 313.358 -1.235 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)Cc1cnn(C)c1 ZINC001403821699 925144669 /nfs/dbraw/zinc/14/46/69/925144669.db2.gz DFVSOHFALCFMEG-ZDUSSCGKSA-N 1 1 321.385 -1.300 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001403826217 925145176 /nfs/dbraw/zinc/14/51/76/925145176.db2.gz XVYVWFWXJMWUHY-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1)CCNS(C)(=O)=O ZINC001403826217 925145184 /nfs/dbraw/zinc/14/51/84/925145184.db2.gz XVYVWFWXJMWUHY-SNVBAGLBSA-N 1 1 320.415 -1.748 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)NC(=O)NC ZINC001403824618 925145288 /nfs/dbraw/zinc/14/52/88/925145288.db2.gz QOVTXGHCJNHXLD-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)NC(=O)NC ZINC001403824618 925145297 /nfs/dbraw/zinc/14/52/97/925145297.db2.gz QOVTXGHCJNHXLD-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H](O)C[NH2+]Cc2nnnn2C)co1 ZINC001403823400 925146169 /nfs/dbraw/zinc/14/61/69/925146169.db2.gz JDXXVNVWXXJMBB-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO COC[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403829204 925147469 /nfs/dbraw/zinc/14/74/69/925147469.db2.gz KRJUWYBSOAWHJS-ZJUUUORDSA-N 1 1 300.363 -1.599 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001403831173 925147779 /nfs/dbraw/zinc/14/77/79/925147779.db2.gz LRRRTNWODOLDPI-WCBMZHEXSA-N 1 1 313.362 -2.184 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001403829805 925147894 /nfs/dbraw/zinc/14/78/94/925147894.db2.gz LHOWWEKCOYILOK-RKDXNWHRSA-N 1 1 311.346 -2.602 20 0 DAADMO CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CCc1nc[nH]n1 ZINC001403831536 925148042 /nfs/dbraw/zinc/14/80/42/925148042.db2.gz CELGGFFHXOGOAF-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC(=O)N1 ZINC001403829793 925148134 /nfs/dbraw/zinc/14/81/34/925148134.db2.gz LHOWWEKCOYILOK-DTWKUNHWSA-N 1 1 311.346 -2.602 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001403837251 925149824 /nfs/dbraw/zinc/14/98/24/925149824.db2.gz OPVNTDWAAILYPQ-ONGXEEELSA-N 1 1 313.358 -1.107 20 0 DAADMO CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)Cc1ccn[nH]1 ZINC001403836612 925149967 /nfs/dbraw/zinc/14/99/67/925149967.db2.gz WMGQVVFKIKXORG-GFCCVEGCSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnc[nH]c2=O)[nH]1 ZINC001403843276 925150978 /nfs/dbraw/zinc/15/09/78/925150978.db2.gz GOSNXCUUMMKFEI-SECBINFHSA-N 1 1 321.341 -1.169 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)cn1)CC(=O)NC(=O)NC ZINC001403845637 925151606 /nfs/dbraw/zinc/15/16/06/925151606.db2.gz IUQWSTNYCHOLCF-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)cn1)CC(=O)NC(=O)NC ZINC001403845637 925151611 /nfs/dbraw/zinc/15/16/11/925151611.db2.gz IUQWSTNYCHOLCF-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnc[nH]c1=O ZINC001403842752 925151655 /nfs/dbraw/zinc/15/16/55/925151655.db2.gz GAKAWGLGMWGZNW-VIFPVBQESA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[C@H]1CCNC1=O ZINC001403843668 925151918 /nfs/dbraw/zinc/15/19/18/925151918.db2.gz INILLEGHNNDKQY-MWLCHTKSSA-N 1 1 311.342 -1.495 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001403844075 925152329 /nfs/dbraw/zinc/15/23/29/925152329.db2.gz NRLLFJVQFSXMMR-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO COCC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001403850592 925153317 /nfs/dbraw/zinc/15/33/17/925153317.db2.gz NHEURXFAJLOJHA-JTQLQIEISA-N 1 1 314.390 -1.208 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cscn1)C(=O)Cn1ncnn1 ZINC001403849300 925154244 /nfs/dbraw/zinc/15/42/44/925154244.db2.gz WHJFQZNIZNIWRO-SNVBAGLBSA-N 1 1 311.371 -1.261 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001403848177 925154252 /nfs/dbraw/zinc/15/42/52/925154252.db2.gz FFRNEASESOXJRM-VIFPVBQESA-N 1 1 323.361 -1.576 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1csnn1 ZINC001403855509 925155203 /nfs/dbraw/zinc/15/52/03/925155203.db2.gz CWQMDOAZJAZLQK-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](CC)CC(=O)NC(N)=O ZINC001403855640 925155495 /nfs/dbraw/zinc/15/54/95/925155495.db2.gz YRRBLEFJVDKISL-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](CC)CC(=O)NC(N)=O ZINC001403855640 925155499 /nfs/dbraw/zinc/15/54/99/925155499.db2.gz YRRBLEFJVDKISL-UHFFFAOYSA-N 1 1 311.346 -1.455 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]n1)c1nncn1C ZINC001403856693 925155682 /nfs/dbraw/zinc/15/56/82/925155682.db2.gz RTKDEBJSBVIZSK-DTWKUNHWSA-N 1 1 308.346 -1.283 20 0 DAADMO CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1C ZINC001403856068 925155708 /nfs/dbraw/zinc/15/57/08/925155708.db2.gz RCXGMCDZYVBEAI-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2n[nH]nc2C)nn1 ZINC001403857193 925156680 /nfs/dbraw/zinc/15/66/80/925156680.db2.gz HCXVEZFBBKBUIZ-LLVKDONJSA-N 1 1 322.373 -1.053 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001403860786 925157431 /nfs/dbraw/zinc/15/74/31/925157431.db2.gz PHLJNTCLWKTBGB-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncnn1C ZINC001403868138 925157708 /nfs/dbraw/zinc/15/77/08/925157708.db2.gz XGQAGELHSUIQDI-SECBINFHSA-N 1 1 308.346 -1.536 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001403868158 925157729 /nfs/dbraw/zinc/15/77/29/925157729.db2.gz XGQAGELHSUIQDI-VIFPVBQESA-N 1 1 308.346 -1.536 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001403868108 925157969 /nfs/dbraw/zinc/15/79/69/925157969.db2.gz DCJLYEMZMFNVBV-JTQLQIEISA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001403868108 925157972 /nfs/dbraw/zinc/15/79/72/925157972.db2.gz DCJLYEMZMFNVBV-JTQLQIEISA-N 1 1 300.359 -1.268 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001403860797 925158283 /nfs/dbraw/zinc/15/82/83/925158283.db2.gz PHLJNTCLWKTBGB-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403871063 925159489 /nfs/dbraw/zinc/15/94/89/925159489.db2.gz WTLFVZAXSKOWTC-BBBLOLIVSA-N 1 1 310.358 -2.155 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001403868539 925159890 /nfs/dbraw/zinc/15/98/90/925159890.db2.gz XLVXECCSCMCBMK-RKDXNWHRSA-N 1 1 323.361 -1.580 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@H+](CC)CC(=O)NC ZINC001403874275 925159912 /nfs/dbraw/zinc/15/99/12/925159912.db2.gz UWKWRYWZMRDWQO-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC[N@@H+](CC)CC(=O)NC ZINC001403874275 925159917 /nfs/dbraw/zinc/15/99/17/925159917.db2.gz UWKWRYWZMRDWQO-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1n[nH]cc1F ZINC001403875753 925160478 /nfs/dbraw/zinc/16/04/78/925160478.db2.gz OYSXGFKEIGIZGY-QMMMGPOBSA-N 1 1 311.321 -1.100 20 0 DAADMO CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC001403874149 925161030 /nfs/dbraw/zinc/16/10/30/925161030.db2.gz NGLBQHLTBBJYSW-OLZOCXBDSA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001403879279 925162063 /nfs/dbraw/zinc/16/20/63/925162063.db2.gz TUXMEAJYDIAKPX-VIFPVBQESA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001403882318 925162244 /nfs/dbraw/zinc/16/22/44/925162244.db2.gz ZUEXQMULSVQELK-SNVBAGLBSA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001403882318 925162249 /nfs/dbraw/zinc/16/22/49/925162249.db2.gz ZUEXQMULSVQELK-SNVBAGLBSA-N 1 1 300.359 -1.268 20 0 DAADMO CC[N@H+](CCCS(C)(=O)=O)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403883794 925162363 /nfs/dbraw/zinc/16/23/63/925162363.db2.gz DPZRHBYDTDVNCL-SNVBAGLBSA-N 1 1 320.415 -1.459 20 0 DAADMO CC[N@@H+](CCCS(C)(=O)=O)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001403883794 925162370 /nfs/dbraw/zinc/16/23/70/925162370.db2.gz DPZRHBYDTDVNCL-SNVBAGLBSA-N 1 1 320.415 -1.459 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCNC(N)=O)co1 ZINC001403878700 925162426 /nfs/dbraw/zinc/16/24/26/925162426.db2.gz WIFMIAKQRFSLFY-LLVKDONJSA-N 1 1 313.358 -1.050 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001403881961 925162805 /nfs/dbraw/zinc/16/28/05/925162805.db2.gz YRGMOGDUGQJROL-YUMQZZPRSA-N 1 1 324.328 -1.153 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(F)F ZINC001403881953 925162831 /nfs/dbraw/zinc/16/28/31/925162831.db2.gz YRGMOGDUGQJROL-JGVFFNPUSA-N 1 1 324.328 -1.153 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001403879275 925163053 /nfs/dbraw/zinc/16/30/53/925163053.db2.gz TUXMEAJYDIAKPX-SECBINFHSA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001403882315 925163256 /nfs/dbraw/zinc/16/32/56/925163256.db2.gz ZUEXQMULSVQELK-JTQLQIEISA-N 1 1 300.359 -1.268 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001403882315 925163259 /nfs/dbraw/zinc/16/32/59/925163259.db2.gz ZUEXQMULSVQELK-JTQLQIEISA-N 1 1 300.359 -1.268 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001403884323 925163755 /nfs/dbraw/zinc/16/37/55/925163755.db2.gz DADZORJKDSXNFV-NEPJUHHUSA-N 1 1 314.386 -1.896 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2c[nH]c(=O)cn2)[nH]1 ZINC001403884601 925163798 /nfs/dbraw/zinc/16/37/98/925163798.db2.gz ZMZICCWVOYXPMP-VIFPVBQESA-N 1 1 321.341 -1.581 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1nnc[nH]1 ZINC001403887416 925164306 /nfs/dbraw/zinc/16/43/06/925164306.db2.gz BLXSRQWEWQVWNQ-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CCc1cc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001403892461 925164672 /nfs/dbraw/zinc/16/46/72/925164672.db2.gz ZTSHKFUVZGRDBR-VIFPVBQESA-N 1 1 323.357 -1.017 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001403887181 925164760 /nfs/dbraw/zinc/16/47/60/925164760.db2.gz LBACECOWKCLXIO-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001403887181 925164769 /nfs/dbraw/zinc/16/47/69/925164769.db2.gz LBACECOWKCLXIO-NSHDSACASA-N 1 1 312.374 -1.835 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001403885655 925164827 /nfs/dbraw/zinc/16/48/27/925164827.db2.gz HENXBBYPZYWUJZ-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO CCOCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001403885655 925164833 /nfs/dbraw/zinc/16/48/33/925164833.db2.gz HENXBBYPZYWUJZ-JTQLQIEISA-N 1 1 318.374 -1.770 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001403892502 925165330 /nfs/dbraw/zinc/16/53/30/925165330.db2.gz DAEXPMHGLAYHSM-NXEZZACHSA-N 1 1 318.349 -1.079 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)c1ccncc1 ZINC001403896051 925166163 /nfs/dbraw/zinc/16/61/63/925166163.db2.gz KRVTXKWIPLAERQ-ZDUSSCGKSA-N 1 1 324.381 -1.445 20 0 DAADMO Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001403899782 925166184 /nfs/dbraw/zinc/16/61/84/925166184.db2.gz CXIDZYTVUCIHDE-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893848 925166259 /nfs/dbraw/zinc/16/62/59/925166259.db2.gz VSOWLUWTOOTMON-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001403893848 925166262 /nfs/dbraw/zinc/16/62/62/925166262.db2.gz VSOWLUWTOOTMON-NWDGAFQWSA-N 1 1 311.386 -1.102 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403892549 925166328 /nfs/dbraw/zinc/16/63/28/925166328.db2.gz DUNGVAAUBOHWKG-XQQFMLRXSA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403892549 925166336 /nfs/dbraw/zinc/16/63/36/925166336.db2.gz DUNGVAAUBOHWKG-XQQFMLRXSA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001403894527 925167449 /nfs/dbraw/zinc/16/74/49/925167449.db2.gz IBTYVWABHACKIH-WDEREUQCSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001403894527 925167454 /nfs/dbraw/zinc/16/74/54/925167454.db2.gz IBTYVWABHACKIH-WDEREUQCSA-N 1 1 303.359 -1.972 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CNC(=O)c1ccncc1 ZINC001403896047 925167652 /nfs/dbraw/zinc/16/76/52/925167652.db2.gz KRVTXKWIPLAERQ-CYBMUJFWSA-N 1 1 324.381 -1.445 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403894228 925167819 /nfs/dbraw/zinc/16/78/19/925167819.db2.gz BFNZIJQMNAZDMV-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001403894228 925167825 /nfs/dbraw/zinc/16/78/25/925167825.db2.gz BFNZIJQMNAZDMV-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCNC(=O)C1)[C@H](C)COC ZINC001403899878 925167835 /nfs/dbraw/zinc/16/78/35/925167835.db2.gz QYJZBYBNRVNOSK-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001403899318 925168060 /nfs/dbraw/zinc/16/80/60/925168060.db2.gz HFVDAMMEGURAEI-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001403897547 925168628 /nfs/dbraw/zinc/16/86/28/925168628.db2.gz LVKVTBQMAOJTDN-GARJFASQSA-N 1 1 303.359 -2.237 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cc1nnc[nH]1 ZINC001403892733 925168738 /nfs/dbraw/zinc/16/87/38/925168738.db2.gz IYICEZGHJMXZGE-QWRGUYRKSA-N 1 1 324.385 -1.671 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001403910974 925169472 /nfs/dbraw/zinc/16/94/72/925169472.db2.gz JSKZIOABBGURCY-NXEZZACHSA-N 1 1 315.374 -2.316 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001403900302 925169584 /nfs/dbraw/zinc/16/95/84/925169584.db2.gz HHNBQFSFHNUCLE-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001403905815 925169697 /nfs/dbraw/zinc/16/96/97/925169697.db2.gz WPKJUSWLAASCCM-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001403905815 925169701 /nfs/dbraw/zinc/16/97/01/925169701.db2.gz WPKJUSWLAASCCM-LLVKDONJSA-N 1 1 311.386 -1.161 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904382 925169809 /nfs/dbraw/zinc/16/98/09/925169809.db2.gz LTKBOYDDVSLKBZ-QWRGUYRKSA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904382 925169812 /nfs/dbraw/zinc/16/98/12/925169812.db2.gz LTKBOYDDVSLKBZ-QWRGUYRKSA-N 1 1 312.374 -1.707 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001403901825 925170116 /nfs/dbraw/zinc/17/01/16/925170116.db2.gz RHUVSWZPXXTHLB-FRRDWIJNSA-N 1 1 314.430 -1.047 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001403902945 925170650 /nfs/dbraw/zinc/17/06/50/925170650.db2.gz VBMDHBYYONOBTE-NSHDSACASA-N 1 1 308.400 -1.572 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911226 925170467 /nfs/dbraw/zinc/17/04/67/925170467.db2.gz KGZVOIAABUGEFI-WDEREUQCSA-N 1 1 312.374 -1.836 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001403911226 925170476 /nfs/dbraw/zinc/17/04/76/925170476.db2.gz KGZVOIAABUGEFI-WDEREUQCSA-N 1 1 312.374 -1.836 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001403902945 925170644 /nfs/dbraw/zinc/17/06/44/925170644.db2.gz VBMDHBYYONOBTE-NSHDSACASA-N 1 1 308.400 -1.572 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCS1(=O)=O ZINC001403900861 925171218 /nfs/dbraw/zinc/17/12/18/925171218.db2.gz RFFYCRGPNWVOFY-LLVKDONJSA-N 1 1 323.415 -2.235 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)CC[N@H+]1C ZINC001403901831 925171240 /nfs/dbraw/zinc/17/12/40/925171240.db2.gz RHUVSWZPXXTHLB-RWMBFGLXSA-N 1 1 314.430 -1.047 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1nnn(C(C)(C)C)n1 ZINC001403907737 925171466 /nfs/dbraw/zinc/17/14/66/925171466.db2.gz XSPOBKYDEZOXPP-SNVBAGLBSA-N 1 1 314.390 -1.215 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904372 925171619 /nfs/dbraw/zinc/17/16/19/925171619.db2.gz LTKBOYDDVSLKBZ-MNOVXSKESA-N 1 1 312.374 -1.707 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001403904372 925171622 /nfs/dbraw/zinc/17/16/22/925171622.db2.gz LTKBOYDDVSLKBZ-MNOVXSKESA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cccc(C(N)=O)n1 ZINC001403913594 925171977 /nfs/dbraw/zinc/17/19/77/925171977.db2.gz JBGWWDUTYUMDDI-JTQLQIEISA-N 1 1 310.354 -1.463 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001403924022 925172056 /nfs/dbraw/zinc/17/20/56/925172056.db2.gz YAPJXEIOPIHHLX-UONOGXRCSA-N 1 1 317.430 -1.302 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001403924022 925172061 /nfs/dbraw/zinc/17/20/61/925172061.db2.gz YAPJXEIOPIHHLX-UONOGXRCSA-N 1 1 317.430 -1.302 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001403923285 925172096 /nfs/dbraw/zinc/17/20/96/925172096.db2.gz ZBLMUHRRWHYQQA-UWVGGRQHSA-N 1 1 311.404 -2.333 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1nnc[nH]1 ZINC001403922528 925172200 /nfs/dbraw/zinc/17/22/00/925172200.db2.gz YKXVBTNSIITDEL-GHMZBOCLSA-N 1 1 324.385 -1.623 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001403923279 925172257 /nfs/dbraw/zinc/17/22/57/925172257.db2.gz ZBLMUHRRWHYQQA-NXEZZACHSA-N 1 1 311.404 -2.333 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC001403917824 925172334 /nfs/dbraw/zinc/17/23/34/925172334.db2.gz XNMNAXATIKQVCI-GFCCVEGCSA-N 1 1 316.402 -1.602 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)[nH]n1 ZINC001403914462 925172704 /nfs/dbraw/zinc/17/27/04/925172704.db2.gz UBQYRUOLLIHSQR-VIFPVBQESA-N 1 1 313.358 -1.342 20 0 DAADMO CCOc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)[nH]n1 ZINC001403914462 925172714 /nfs/dbraw/zinc/17/27/14/925172714.db2.gz UBQYRUOLLIHSQR-VIFPVBQESA-N 1 1 313.358 -1.342 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCNC(=O)C1 ZINC001403912999 925172921 /nfs/dbraw/zinc/17/29/21/925172921.db2.gz QAPCWLUWMZRLKA-NEPJUHHUSA-N 1 1 301.387 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCc1nnc[nH]1 ZINC001403922534 925172953 /nfs/dbraw/zinc/17/29/53/925172953.db2.gz YKXVBTNSIITDEL-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CC[N@@H+](CCNC(=O)COCc1nncn1C)[C@H]1CCNC1=O ZINC001403928376 925173156 /nfs/dbraw/zinc/17/31/56/925173156.db2.gz DTKRPXNWDNGSAR-NSHDSACASA-N 1 1 324.385 -1.342 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnon1)CCNS(C)(=O)=O ZINC001403927550 925173426 /nfs/dbraw/zinc/17/34/26/925173426.db2.gz WHEQOHSCRBXDHL-UHFFFAOYSA-N 1 1 305.360 -1.330 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnon1)CCNS(C)(=O)=O ZINC001403927550 925173433 /nfs/dbraw/zinc/17/34/33/925173433.db2.gz WHEQOHSCRBXDHL-UHFFFAOYSA-N 1 1 305.360 -1.330 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cccnc1C(N)=O ZINC001403913606 925173837 /nfs/dbraw/zinc/17/38/37/925173837.db2.gz JDIDZDCLJAHPSH-SNVBAGLBSA-N 1 1 310.354 -1.463 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC001403917826 925173869 /nfs/dbraw/zinc/17/38/69/925173869.db2.gz XNMNAXATIKQVCI-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)S(C)(=O)=O ZINC001403916223 925173884 /nfs/dbraw/zinc/17/38/84/925173884.db2.gz WMDFNIWXIHTFPS-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)S(C)(=O)=O ZINC001403916223 925173890 /nfs/dbraw/zinc/17/38/90/925173890.db2.gz WMDFNIWXIHTFPS-MNOVXSKESA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001403929943 925175000 /nfs/dbraw/zinc/17/50/00/925175000.db2.gz VSBOMGSGWJVXQR-LLVKDONJSA-N 1 1 324.443 -1.057 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)C(C)(C)S(C)(=O)=O ZINC001403929943 925175005 /nfs/dbraw/zinc/17/50/05/925175005.db2.gz VSBOMGSGWJVXQR-LLVKDONJSA-N 1 1 324.443 -1.057 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)c(=O)n1C)CC(=O)N(C)C ZINC001403943389 925175128 /nfs/dbraw/zinc/17/51/28/925175128.db2.gz OBMAKGSDCAUPKK-UHFFFAOYSA-N 1 1 311.386 -1.136 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)CC(=O)N(C)C ZINC001403943389 925175134 /nfs/dbraw/zinc/17/51/34/925175134.db2.gz OBMAKGSDCAUPKK-UHFFFAOYSA-N 1 1 311.386 -1.136 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001403978427 925175185 /nfs/dbraw/zinc/17/51/85/925175185.db2.gz QWQDUQQMWMCCIJ-SNVBAGLBSA-N 1 1 309.388 -2.265 20 0 DAADMO CC[N@H+](CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1)CC(N)=O ZINC001403937525 925175197 /nfs/dbraw/zinc/17/51/97/925175197.db2.gz DFCLAWVOSYVPEL-LBPRGKRZSA-N 1 1 320.415 -1.618 20 0 DAADMO CC[N@@H+](CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1)CC(N)=O ZINC001403937525 925175200 /nfs/dbraw/zinc/17/52/00/925175200.db2.gz DFCLAWVOSYVPEL-LBPRGKRZSA-N 1 1 320.415 -1.618 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCC[C@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001403971145 925175348 /nfs/dbraw/zinc/17/53/48/925175348.db2.gz QDPMTBALRAPQFD-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)C[C@H](C)O ZINC001403962876 925175399 /nfs/dbraw/zinc/17/53/99/925175399.db2.gz JJGUNHSCVVUOQA-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001403976649 925176403 /nfs/dbraw/zinc/17/64/03/925176403.db2.gz FNWANUNDKVWYRO-WDEREUQCSA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001403981910 925177248 /nfs/dbraw/zinc/17/72/48/925177248.db2.gz KZAZJGCAFOLPOE-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc[nH]n1 ZINC001403981910 925177253 /nfs/dbraw/zinc/17/72/53/925177253.db2.gz KZAZJGCAFOLPOE-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001403984407 925177815 /nfs/dbraw/zinc/17/78/15/925177815.db2.gz KTDAWCXROPFMIO-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001403984407 925177820 /nfs/dbraw/zinc/17/78/20/925177820.db2.gz KTDAWCXROPFMIO-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC ZINC001403984237 925177912 /nfs/dbraw/zinc/17/79/12/925177912.db2.gz KJALFTOLMJDAQC-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC ZINC001403984237 925177918 /nfs/dbraw/zinc/17/79/18/925177918.db2.gz KJALFTOLMJDAQC-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001403994636 925178279 /nfs/dbraw/zinc/17/82/79/925178279.db2.gz FACFKLPZBIOZRP-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001403994636 925178294 /nfs/dbraw/zinc/17/82/94/925178294.db2.gz FACFKLPZBIOZRP-MEWQQHAOSA-N 1 1 324.381 -1.085 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001403993296 925178484 /nfs/dbraw/zinc/17/84/84/925178484.db2.gz XCYOMKCASXQEHH-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO CC(=O)N(C)CC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1 ZINC001404001057 925178884 /nfs/dbraw/zinc/17/88/84/925178884.db2.gz FSTMKEBZCKOLIO-UHFFFAOYSA-N 1 1 309.374 -1.233 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404041330 925179444 /nfs/dbraw/zinc/17/94/44/925179444.db2.gz ZQAYJUUWDPAASI-QWRGUYRKSA-N 1 1 302.375 -1.857 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001404030302 925179942 /nfs/dbraw/zinc/17/99/42/925179942.db2.gz VCWLOBPJZKMVKE-ZJUUUORDSA-N 1 1 300.363 -1.390 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001404058083 925180708 /nfs/dbraw/zinc/18/07/08/925180708.db2.gz FIILFJWUIBBCBB-NSHDSACASA-N 1 1 307.358 -1.657 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001404016836 925180726 /nfs/dbraw/zinc/18/07/26/925180726.db2.gz HBXFQNHIGRKJBJ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001404016836 925180733 /nfs/dbraw/zinc/18/07/33/925180733.db2.gz HBXFQNHIGRKJBJ-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)COC)C1 ZINC001404030068 925180746 /nfs/dbraw/zinc/18/07/46/925180746.db2.gz RRDWGAAUCQFONA-VHSXEESVSA-N 1 1 300.359 -1.085 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001404094164 925181559 /nfs/dbraw/zinc/18/15/59/925181559.db2.gz PGYCNONGABNBBE-ZETCQYMHSA-N 1 1 312.305 -1.205 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2F)C1 ZINC001404094164 925181562 /nfs/dbraw/zinc/18/15/62/925181562.db2.gz PGYCNONGABNBBE-ZETCQYMHSA-N 1 1 312.305 -1.205 20 0 DAADMO CCC[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCC1 ZINC001404114276 925182176 /nfs/dbraw/zinc/18/21/76/925182176.db2.gz FJIGXVATTKWYTC-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCC1 ZINC001404114276 925182185 /nfs/dbraw/zinc/18/21/85/925182185.db2.gz FJIGXVATTKWYTC-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CC(CNC(=O)CNC(N)=O)C1 ZINC001404108415 925182372 /nfs/dbraw/zinc/18/23/72/925182372.db2.gz JNVDIVRXTLVAMO-UHFFFAOYSA-N 1 1 322.369 -1.129 20 0 DAADMO CCC[N@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(N)=O ZINC001404113004 925182740 /nfs/dbraw/zinc/18/27/40/925182740.db2.gz WTVKOFYMJVWOGW-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO CCC[N@@H+](CCNC(=O)Cc1cnn(C)c1)CC(=O)NC(N)=O ZINC001404113004 925182748 /nfs/dbraw/zinc/18/27/48/925182748.db2.gz WTVKOFYMJVWOGW-UHFFFAOYSA-N 1 1 324.385 -1.014 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001404178790 925184063 /nfs/dbraw/zinc/18/40/63/925184063.db2.gz CVKCWAWFWIYYQF-IUCAKERBSA-N 1 1 323.357 -1.550 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C[C@H](C)O ZINC001404168202 925185108 /nfs/dbraw/zinc/18/51/08/925185108.db2.gz BLVLMQBSRDYNKT-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC001404231479 925186182 /nfs/dbraw/zinc/18/61/82/925186182.db2.gz UQKIYYNEKLAXEO-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC001404231479 925186187 /nfs/dbraw/zinc/18/61/87/925186187.db2.gz UQKIYYNEKLAXEO-SECBINFHSA-N 1 1 306.326 -1.277 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C2CC2)[C@H]2CCNC2=O)n(C)c1=O ZINC001404299880 925190198 /nfs/dbraw/zinc/19/01/98/925190198.db2.gz YXHYNKJHHMZEOO-NSHDSACASA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C2CC2)[C@H]2CCNC2=O)n(C)c1=O ZINC001404299880 925190202 /nfs/dbraw/zinc/19/02/02/925190202.db2.gz YXHYNKJHHMZEOO-NSHDSACASA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NCC[N@H+](C2CC2)[C@@H]2CCNC2=O)n(C)c1=O ZINC001404299877 925190378 /nfs/dbraw/zinc/19/03/78/925190378.db2.gz YXHYNKJHHMZEOO-LLVKDONJSA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)n(C)c1=O ZINC001404299877 925190383 /nfs/dbraw/zinc/19/03/83/925190383.db2.gz YXHYNKJHHMZEOO-LLVKDONJSA-N 1 1 321.381 -1.194 20 0 DAADMO NC(=O)C[NH2+][C@H](CNC(=O)Cn1cnnn1)c1ccccc1 ZINC001404368369 925193745 /nfs/dbraw/zinc/19/37/45/925193745.db2.gz DPNYNBMRZPTCCD-LLVKDONJSA-N 1 1 303.326 -1.395 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001404359608 925193808 /nfs/dbraw/zinc/19/38/08/925193808.db2.gz QFFBQKLHZUUBQN-ONGXEEELSA-N 1 1 322.369 -1.164 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404413770 925195696 /nfs/dbraw/zinc/19/56/96/925195696.db2.gz HVHZDMZZXZSTDC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404413770 925195704 /nfs/dbraw/zinc/19/57/04/925195704.db2.gz HVHZDMZZXZSTDC-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001404452777 925196598 /nfs/dbraw/zinc/19/65/98/925196598.db2.gz IQJWFQXNTCGRBD-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001404452777 925196600 /nfs/dbraw/zinc/19/66/00/925196600.db2.gz IQJWFQXNTCGRBD-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cnc(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1 ZINC001404477017 925199053 /nfs/dbraw/zinc/19/90/53/925199053.db2.gz KGOOGLGGCNLFQM-VIFPVBQESA-N 1 1 323.357 -1.548 20 0 DAADMO CC(=O)NC1(CCO)CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001404497958 925199124 /nfs/dbraw/zinc/19/91/24/925199124.db2.gz SJXTXZDBGGSBBO-CYBMUJFWSA-N 1 1 323.397 -1.087 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404513360 925199894 /nfs/dbraw/zinc/19/98/94/925199894.db2.gz UKSVXHNSRKTFBE-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)nn1 ZINC001404498219 925200649 /nfs/dbraw/zinc/20/06/49/925200649.db2.gz CUMXCVUVYNIODD-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)Cn3ncnn3)C2)nn1 ZINC001404498219 925200660 /nfs/dbraw/zinc/20/06/60/925200660.db2.gz CUMXCVUVYNIODD-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)nn1 ZINC001404498210 925200967 /nfs/dbraw/zinc/20/09/67/925200967.db2.gz CUMXCVUVYNIODD-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)Cn3ncnn3)C2)nn1 ZINC001404498210 925200972 /nfs/dbraw/zinc/20/09/72/925200972.db2.gz CUMXCVUVYNIODD-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO O=C(Cn1ncnn1)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001404511312 925201330 /nfs/dbraw/zinc/20/13/30/925201330.db2.gz RPDMZRFUGVWDIE-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001404527383 925202077 /nfs/dbraw/zinc/20/20/77/925202077.db2.gz UQQFCKNAYRYOQD-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO Cn1cnnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404514893 925202690 /nfs/dbraw/zinc/20/26/90/925202690.db2.gz VJKZEVKKUTWSBC-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cnnc1C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001404514893 925202696 /nfs/dbraw/zinc/20/26/96/925202696.db2.gz VJKZEVKKUTWSBC-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404551677 925203901 /nfs/dbraw/zinc/20/39/01/925203901.db2.gz QXMJBLUGJPRBJK-SECBINFHSA-N 1 1 306.388 -2.151 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404560731 925203989 /nfs/dbraw/zinc/20/39/89/925203989.db2.gz CUHKASLLTROVBT-VXGBXAGGSA-N 1 1 312.374 -1.539 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001404549705 925204500 /nfs/dbraw/zinc/20/45/00/925204500.db2.gz OZTRLEWPHTZHNR-NXEZZACHSA-N 1 1 318.399 -2.008 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NC3CC3)C2)n1 ZINC001404582873 925205523 /nfs/dbraw/zinc/20/55/23/925205523.db2.gz DOTSZJGJDGFAAY-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001404590727 925205978 /nfs/dbraw/zinc/20/59/78/925205978.db2.gz QMNYSQUUTXQSBP-SNVBAGLBSA-N 1 1 307.354 -1.038 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001404578810 925207130 /nfs/dbraw/zinc/20/71/30/925207130.db2.gz XESOCUNIBYZFDF-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404625890 925207540 /nfs/dbraw/zinc/20/75/40/925207540.db2.gz OPERGXOURHYBMV-MNOVXSKESA-N 1 1 321.385 -1.412 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001404679672 925210346 /nfs/dbraw/zinc/21/03/46/925210346.db2.gz PEQRULCBQNCXRT-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CCN(CC)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001404738830 925212493 /nfs/dbraw/zinc/21/24/93/925212493.db2.gz BEDYLOUFIGXPKT-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(CC)C(=O)CN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001404738830 925212501 /nfs/dbraw/zinc/21/25/01/925212501.db2.gz BEDYLOUFIGXPKT-CYBMUJFWSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)CNC(N)=O)C[C@H]21 ZINC001404740857 925212520 /nfs/dbraw/zinc/21/25/20/925212520.db2.gz GNRVVEOEYKHYBL-YFKTTZPYSA-N 1 1 323.397 -1.431 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NC2CN(CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001404763199 925213722 /nfs/dbraw/zinc/21/37/22/925213722.db2.gz DBRHMCMNFNSDCC-WDEREUQCSA-N 1 1 311.386 -1.288 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)CNC(=O)CNC(C)=O)C1)OC ZINC001404775874 925214328 /nfs/dbraw/zinc/21/43/28/925214328.db2.gz AALJSNWWIQSDHC-LBPRGKRZSA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(CCNS(C)(=O)=O)C2)C1 ZINC001404830434 925218938 /nfs/dbraw/zinc/21/89/38/925218938.db2.gz XJIULSWEJLXEDO-NSHDSACASA-N 1 1 318.443 -1.322 20 0 DAADMO CCN(C(=O)C[NH+]1CC(CNC(=O)Cn2cnnn2)C1)C1CC1 ZINC001404848498 925221218 /nfs/dbraw/zinc/22/12/18/925221218.db2.gz DTDKACPMJDVHNZ-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO CCN(CC)C(=O)C[NH+]1CC(CNC(=O)CNC(=O)NC)C1 ZINC001404891622 925223523 /nfs/dbraw/zinc/22/35/23/925223523.db2.gz LCPYNJNKOUGHKN-UHFFFAOYSA-N 1 1 313.402 -1.168 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001404937320 925225012 /nfs/dbraw/zinc/22/50/12/925225012.db2.gz TUPPGMKGGQCQMR-SNVBAGLBSA-N 1 1 320.415 -1.810 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001405001286 925230783 /nfs/dbraw/zinc/23/07/83/925230783.db2.gz KHSNNYKEOUTBEY-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001405001286 925230787 /nfs/dbraw/zinc/23/07/87/925230787.db2.gz KHSNNYKEOUTBEY-WDEREUQCSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405001841 925231761 /nfs/dbraw/zinc/23/17/61/925231761.db2.gz OGENIPWACVSRBW-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001405001841 925231768 /nfs/dbraw/zinc/23/17/68/925231768.db2.gz OGENIPWACVSRBW-IUCAKERBSA-N 1 1 306.388 -2.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001405021291 925232729 /nfs/dbraw/zinc/23/27/29/925232729.db2.gz SOMBHGSTBLSISL-GARJFASQSA-N 1 1 300.359 -1.792 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405012262 925232778 /nfs/dbraw/zinc/23/27/78/925232778.db2.gz LSFKKSAFDOVJIY-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405030858 925232873 /nfs/dbraw/zinc/23/28/73/925232873.db2.gz QXBZWDVHIDKPQK-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001405030858 925232877 /nfs/dbraw/zinc/23/28/77/925232877.db2.gz QXBZWDVHIDKPQK-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001405014115 925232891 /nfs/dbraw/zinc/23/28/91/925232891.db2.gz FLPXFXPPXVGMHA-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001405014115 925232895 /nfs/dbraw/zinc/23/28/95/925232895.db2.gz FLPXFXPPXVGMHA-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001405013842 925233549 /nfs/dbraw/zinc/23/35/49/925233549.db2.gz CAGXTTFJDWALDR-ZJUUUORDSA-N 1 1 308.404 -1.734 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001405054435 925234270 /nfs/dbraw/zinc/23/42/70/925234270.db2.gz YHQCNVJBOYCNEA-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001405054435 925234277 /nfs/dbraw/zinc/23/42/77/925234277.db2.gz YHQCNVJBOYCNEA-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001405058739 925234492 /nfs/dbraw/zinc/23/44/92/925234492.db2.gz ZCBFDBKCEVFLGC-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001405058739 925234500 /nfs/dbraw/zinc/23/45/00/925234500.db2.gz ZCBFDBKCEVFLGC-NXEZZACHSA-N 1 1 323.357 -1.558 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001405070023 925237849 /nfs/dbraw/zinc/23/78/49/925237849.db2.gz VGHYWRBQZIRUDF-GHMZBOCLSA-N 1 1 309.374 -1.223 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001405111165 925238497 /nfs/dbraw/zinc/23/84/97/925238497.db2.gz FYJMTFYKMLCXJM-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001405111165 925238502 /nfs/dbraw/zinc/23/85/02/925238502.db2.gz FYJMTFYKMLCXJM-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001405095595 925238914 /nfs/dbraw/zinc/23/89/14/925238914.db2.gz WUSZVMBBULQKEB-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO COC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001405095595 925238923 /nfs/dbraw/zinc/23/89/23/925238923.db2.gz WUSZVMBBULQKEB-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO CN(CC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001405109926 925239593 /nfs/dbraw/zinc/23/95/93/925239593.db2.gz BXCMWIONZIUWEC-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001405111130 925240002 /nfs/dbraw/zinc/24/00/02/925240002.db2.gz FYJMTFYKMLCXJM-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)CCn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001405111130 925240011 /nfs/dbraw/zinc/24/00/11/925240011.db2.gz FYJMTFYKMLCXJM-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001405124368 925240673 /nfs/dbraw/zinc/24/06/73/925240673.db2.gz KJWDYOPTSKYGQS-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001405124368 925240684 /nfs/dbraw/zinc/24/06/84/925240684.db2.gz KJWDYOPTSKYGQS-MNOVXSKESA-N 1 1 311.386 -1.321 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001405139764 925241408 /nfs/dbraw/zinc/24/14/08/925241408.db2.gz WWTVAJCDIAILJT-VIFPVBQESA-N 1 1 320.357 -1.008 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126628 925242090 /nfs/dbraw/zinc/24/20/90/925242090.db2.gz LDRFXXNAXXNSMZ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)NC)C1 ZINC001405126628 925242102 /nfs/dbraw/zinc/24/21/02/925242102.db2.gz LDRFXXNAXXNSMZ-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001405174038 925242901 /nfs/dbraw/zinc/24/29/01/925242901.db2.gz JRKJSVOSNSWQJM-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001405174038 925242909 /nfs/dbraw/zinc/24/29/09/925242909.db2.gz JRKJSVOSNSWQJM-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001405174057 925242975 /nfs/dbraw/zinc/24/29/75/925242975.db2.gz JRKJSVOSNSWQJM-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)CCn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001405174057 925242985 /nfs/dbraw/zinc/24/29/85/925242985.db2.gz JRKJSVOSNSWQJM-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159930 925243100 /nfs/dbraw/zinc/24/31/00/925243100.db2.gz ULJCEYBKXATQOQ-RKDXNWHRSA-N 1 1 323.357 -1.537 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001405159930 925243106 /nfs/dbraw/zinc/24/31/06/925243106.db2.gz ULJCEYBKXATQOQ-RKDXNWHRSA-N 1 1 323.357 -1.537 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001405167045 925243570 /nfs/dbraw/zinc/24/35/70/925243570.db2.gz INBZRHZJQKNIAA-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001405167045 925243577 /nfs/dbraw/zinc/24/35/77/925243577.db2.gz INBZRHZJQKNIAA-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001405174094 925243707 /nfs/dbraw/zinc/24/37/07/925243707.db2.gz NQDAOSULSUBJNH-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405168455 925244489 /nfs/dbraw/zinc/24/44/89/925244489.db2.gz LDZRHYFPQSIWSY-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cncn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405168455 925244494 /nfs/dbraw/zinc/24/44/94/925244494.db2.gz LDZRHYFPQSIWSY-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO CCN(C(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001405172195 925244590 /nfs/dbraw/zinc/24/45/90/925244590.db2.gz KLYBNKQNLACRJA-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO CCN(C(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001405172195 925244599 /nfs/dbraw/zinc/24/45/99/925244599.db2.gz KLYBNKQNLACRJA-LLVKDONJSA-N 1 1 324.385 -1.620 20 0 DAADMO COCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001405188224 925245013 /nfs/dbraw/zinc/24/50/13/925245013.db2.gz IRPIZOOOKSIJFD-SRVKXCTJSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001405206095 925249998 /nfs/dbraw/zinc/24/99/98/925249998.db2.gz BCZRERFXHWSAOO-ZJUUUORDSA-N 1 1 309.374 -1.279 20 0 DAADMO CC[C@H](CNC(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1nnnn1C ZINC001405206090 925250258 /nfs/dbraw/zinc/25/02/58/925250258.db2.gz BCZRERFXHWSAOO-VHSXEESVSA-N 1 1 309.374 -1.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214580 925253718 /nfs/dbraw/zinc/25/37/18/925253718.db2.gz DOWZTOLIUWOULK-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccoc2)C1 ZINC001405214580 925253727 /nfs/dbraw/zinc/25/37/27/925253727.db2.gz DOWZTOLIUWOULK-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001405224663 925255629 /nfs/dbraw/zinc/25/56/29/925255629.db2.gz IVBBZMAKVIVHFS-MNOVXSKESA-N 1 1 309.370 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2ccn[nH]2)C1 ZINC001405224642 925256365 /nfs/dbraw/zinc/25/63/65/925256365.db2.gz IVBBZMAKVIVHFS-GHMZBOCLSA-N 1 1 309.370 -1.042 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001405225348 925257196 /nfs/dbraw/zinc/25/71/96/925257196.db2.gz VYDDBBSOWUKXOS-PWSUYJOCSA-N 1 1 316.402 -1.556 20 0 DAADMO Cc1cnn(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001405230727 925259480 /nfs/dbraw/zinc/25/94/80/925259480.db2.gz VXZPZWOZQQMMLQ-QWHCGFSZSA-N 1 1 323.397 -1.121 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001405230723 925259506 /nfs/dbraw/zinc/25/95/06/925259506.db2.gz VXZPZWOZQQMMLQ-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccncn1 ZINC001405236942 925261655 /nfs/dbraw/zinc/26/16/55/925261655.db2.gz XCDIKRQSIFWYEM-CMPLNLGQSA-N 1 1 307.354 -1.222 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405237519 925262598 /nfs/dbraw/zinc/26/25/98/925262598.db2.gz JOPGYALYDPNEGD-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405237519 925262605 /nfs/dbraw/zinc/26/26/05/925262605.db2.gz JOPGYALYDPNEGD-VXGBXAGGSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccncn1 ZINC001405236962 925262744 /nfs/dbraw/zinc/26/27/44/925262744.db2.gz XCDIKRQSIFWYEM-PWSUYJOCSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240935 925264966 /nfs/dbraw/zinc/26/49/66/925264966.db2.gz NUFDIHHPCNSFAK-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240935 925264976 /nfs/dbraw/zinc/26/49/76/925264976.db2.gz NUFDIHHPCNSFAK-NEPJUHHUSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240942 925265682 /nfs/dbraw/zinc/26/56/82/925265682.db2.gz NUFDIHHPCNSFAK-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2cc[nH]c2)C1 ZINC001405240942 925265690 /nfs/dbraw/zinc/26/56/90/925265690.db2.gz NUFDIHHPCNSFAK-NWDGAFQWSA-N 1 1 310.354 -1.448 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001405254638 925269754 /nfs/dbraw/zinc/26/97/54/925269754.db2.gz PROAFKFMUXIHTH-WDEREUQCSA-N 1 1 324.385 -1.636 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001405254463 925270071 /nfs/dbraw/zinc/27/00/71/925270071.db2.gz VYPVBCCKFCJVBV-NEPJUHHUSA-N 1 1 322.365 -1.054 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001405271190 925274126 /nfs/dbraw/zinc/27/41/26/925274126.db2.gz BLFZAWZAFPSTKZ-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1cnn(C)n1 ZINC001405270398 925274456 /nfs/dbraw/zinc/27/44/56/925274456.db2.gz JEGFVOMMEUHLCT-GXSJLCMTSA-N 1 1 309.374 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c2ccnnc2)C1 ZINC001405281409 925275974 /nfs/dbraw/zinc/27/59/74/925275974.db2.gz HHUUQFASSUTODP-VXGBXAGGSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cn1cncn1 ZINC001405276616 925276091 /nfs/dbraw/zinc/27/60/91/925276091.db2.gz BFGCDDPQNAFTPT-LLVKDONJSA-N 1 1 321.341 -1.923 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001405276904 925276198 /nfs/dbraw/zinc/27/61/98/925276198.db2.gz BHUHMSPTNWAWMG-QWRGUYRKSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cnc[nH]c2=O)C1 ZINC001405286561 925277419 /nfs/dbraw/zinc/27/74/19/925277419.db2.gz PYTDILXHFDMSSS-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)n1 ZINC001405288378 925277862 /nfs/dbraw/zinc/27/78/62/925277862.db2.gz SGDISLVNUJDPFK-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CNC(N)=O)C1 ZINC001405284176 925278630 /nfs/dbraw/zinc/27/86/30/925278630.db2.gz NCVJDFGIDHSOOL-IUCAKERBSA-N 1 1 301.347 -2.800 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCn2cncn2)C1 ZINC001405282649 925278775 /nfs/dbraw/zinc/27/87/75/925278775.db2.gz KOJDTOFCEVLSKE-NEPJUHHUSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)CC(C)(C)O ZINC001405289193 925279317 /nfs/dbraw/zinc/27/93/17/925279317.db2.gz UKVRRBIXRBTPLP-LLVKDONJSA-N 1 1 312.370 -1.054 20 0 DAADMO Cc1c(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nnn1C ZINC001405293319 925280320 /nfs/dbraw/zinc/28/03/20/925280320.db2.gz ZJBJKLZKWRNBLR-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405297019 925281110 /nfs/dbraw/zinc/28/11/10/925281110.db2.gz AFIHAAMJLHOADP-CIQGVGRVSA-N 1 1 313.398 -1.188 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001405301275 925281136 /nfs/dbraw/zinc/28/11/36/925281136.db2.gz XUONNUMMIYVNEJ-HUBLWGQQSA-N 1 1 313.398 -1.044 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1nonc1C ZINC001405311035 925285407 /nfs/dbraw/zinc/28/54/07/925285407.db2.gz MJKMMXBXJMOLEB-SNVBAGLBSA-N 1 1 322.325 -1.210 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1)C1CCC1 ZINC001405314171 925285862 /nfs/dbraw/zinc/28/58/62/925285862.db2.gz XUWDRYHGULLWDZ-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1)C1CCC1 ZINC001405314171 925285866 /nfs/dbraw/zinc/28/58/66/925285866.db2.gz XUWDRYHGULLWDZ-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1)C1CCC1 ZINC001405314171 925285872 /nfs/dbraw/zinc/28/58/72/925285872.db2.gz XUWDRYHGULLWDZ-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405319134 925287296 /nfs/dbraw/zinc/28/72/96/925287296.db2.gz LVCWDAXNCVIROI-NWDGAFQWSA-N 1 1 310.354 -1.179 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405312685 925287317 /nfs/dbraw/zinc/28/73/17/925287317.db2.gz WEVDXPPGBHTEEE-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cccn1 ZINC001405329291 925287983 /nfs/dbraw/zinc/28/79/83/925287983.db2.gz OVLGGFJXNNVQCR-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)Cn1ncnn1 ZINC001405323260 925288806 /nfs/dbraw/zinc/28/88/06/925288806.db2.gz GNTCOKUGCAPGTM-NXEZZACHSA-N 1 1 311.346 -2.639 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1csnn1 ZINC001405339905 925291997 /nfs/dbraw/zinc/29/19/97/925291997.db2.gz RYMGPEIVUMGXNV-SECBINFHSA-N 1 1 324.366 -1.050 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ccn(C)n1 ZINC001405344863 925294046 /nfs/dbraw/zinc/29/40/46/925294046.db2.gz NNHAIRJAGFENRG-NSHDSACASA-N 1 1 311.386 -1.031 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCOC1 ZINC001405352780 925294657 /nfs/dbraw/zinc/29/46/57/925294657.db2.gz VOLPCSXXQGMHDW-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cnn(C)n1 ZINC001405356546 925297258 /nfs/dbraw/zinc/29/72/58/925297258.db2.gz YYPGWUNIDZFGPM-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)n1 ZINC001405356548 925297476 /nfs/dbraw/zinc/29/74/76/925297476.db2.gz YYPGWUNIDZFGPM-SNVBAGLBSA-N 1 1 312.374 -1.636 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405377991 925301722 /nfs/dbraw/zinc/30/17/22/925301722.db2.gz UUJNRNXVVMVZPL-NMKXLXIOSA-N 1 1 313.398 -1.188 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376166 925301801 /nfs/dbraw/zinc/30/18/01/925301801.db2.gz PDJVXRJDCGDGLG-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(F)F)C1 ZINC001405376166 925301810 /nfs/dbraw/zinc/30/18/10/925301810.db2.gz PDJVXRJDCGDGLG-UWVGGRQHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001405380487 925302833 /nfs/dbraw/zinc/30/28/33/925302833.db2.gz GAZLJYCWKARBHV-ZJUUUORDSA-N 1 1 323.353 -2.072 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001405380133 925303020 /nfs/dbraw/zinc/30/30/20/925303020.db2.gz XINKQIMHYCEABT-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1[nH]nnc1C ZINC001405387452 925304169 /nfs/dbraw/zinc/30/41/69/925304169.db2.gz GHSFRGGXXKSQBS-SNVBAGLBSA-N 1 1 312.374 -1.338 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 ZINC001405396282 925305820 /nfs/dbraw/zinc/30/58/20/925305820.db2.gz SYVKXSUBEJSUTD-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001405409890 925307108 /nfs/dbraw/zinc/30/71/08/925307108.db2.gz QCYDSQMMXVRTMK-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409890 925307118 /nfs/dbraw/zinc/30/71/18/925307118.db2.gz QCYDSQMMXVRTMK-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409890 925307128 /nfs/dbraw/zinc/30/71/28/925307128.db2.gz QCYDSQMMXVRTMK-GHMZBOCLSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nc[nH]n2)C1 ZINC001405409920 925307261 /nfs/dbraw/zinc/30/72/61/925307261.db2.gz QCYDSQMMXVRTMK-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409920 925307269 /nfs/dbraw/zinc/30/72/69/925307269.db2.gz QCYDSQMMXVRTMK-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)Cc2nnc[nH]2)C1 ZINC001405409920 925307278 /nfs/dbraw/zinc/30/72/78/925307278.db2.gz QCYDSQMMXVRTMK-QWRGUYRKSA-N 1 1 324.385 -1.718 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001405407675 925307410 /nfs/dbraw/zinc/30/74/10/925307410.db2.gz OQRYMJAORRXPJS-JTQLQIEISA-N 1 1 321.341 -1.854 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)Cn1cncn1 ZINC001405404643 925307757 /nfs/dbraw/zinc/30/77/57/925307757.db2.gz YVIUTACTJKFXKP-NSHDSACASA-N 1 1 321.341 -1.923 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001405407679 925308399 /nfs/dbraw/zinc/30/83/99/925308399.db2.gz OQRYMJAORRXPJS-SNVBAGLBSA-N 1 1 321.341 -1.854 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)CC[N@H+]1C ZINC001405403792 925308487 /nfs/dbraw/zinc/30/84/87/925308487.db2.gz XZRRLKZVPBRSMA-IJLUTSLNSA-N 1 1 324.385 -1.788 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001405416146 925309839 /nfs/dbraw/zinc/30/98/39/925309839.db2.gz VWPQQZFRGAVGDI-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccnnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405592967 925318307 /nfs/dbraw/zinc/31/83/07/925318307.db2.gz DOCFHFZAPVJJOB-QWHCGFSZSA-N 1 1 321.381 -1.023 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405593176 925318438 /nfs/dbraw/zinc/31/84/38/925318438.db2.gz RSVQOXLYHQEOIB-KOLCDFICSA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405596865 925319570 /nfs/dbraw/zinc/31/95/70/925319570.db2.gz HWPGKERCZKYPLE-WDEREUQCSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ncn[nH]1)C(=O)C1CC[NH+](C)CC1 ZINC001405603074 925319778 /nfs/dbraw/zinc/31/97/78/925319778.db2.gz ARSXPVHRFDDUSQ-LLVKDONJSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1nc[nH]n1)C(=O)C1CC[NH+](C)CC1 ZINC001405603074 925319782 /nfs/dbraw/zinc/31/97/82/925319782.db2.gz ARSXPVHRFDDUSQ-LLVKDONJSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ccnc1 ZINC001405609174 925322143 /nfs/dbraw/zinc/32/21/43/925322143.db2.gz LIEDPHARIGBKAJ-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cnon1 ZINC001405644747 925325851 /nfs/dbraw/zinc/32/58/51/925325851.db2.gz MBYQEOZHZFMGJO-UWVGGRQHSA-N 1 1 311.342 -1.430 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnon1 ZINC001405644744 925327072 /nfs/dbraw/zinc/32/70/72/925327072.db2.gz MBYQEOZHZFMGJO-NXEZZACHSA-N 1 1 311.342 -1.430 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)c1cnon1 ZINC001405637913 925327129 /nfs/dbraw/zinc/32/71/29/925327129.db2.gz GWMUAGOBZJCWIT-GXSJLCMTSA-N 1 1 311.342 -1.287 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)CC[NH+](C)C ZINC001405650135 925327547 /nfs/dbraw/zinc/32/75/47/925327547.db2.gz OTGIDASPQIHWIW-JTQLQIEISA-N 1 1 312.374 -1.766 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001405660633 925328930 /nfs/dbraw/zinc/32/89/30/925328930.db2.gz AWSZJFKLLUOYSZ-VHSXEESVSA-N 1 1 311.390 -1.033 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cncn1 ZINC001405673609 925329068 /nfs/dbraw/zinc/32/90/68/925329068.db2.gz VQISGCQBVFKDCX-NEPJUHHUSA-N 1 1 324.385 -1.835 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001405660639 925329618 /nfs/dbraw/zinc/32/96/18/925329618.db2.gz AWSZJFKLLUOYSZ-ZJUUUORDSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1ncnn1)c1nncn1C ZINC001405801179 925335590 /nfs/dbraw/zinc/33/55/90/925335590.db2.gz AJDVMKLHVWYYST-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001405830376 925337407 /nfs/dbraw/zinc/33/74/07/925337407.db2.gz URTJEOVSGADPAM-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001406060211 925342548 /nfs/dbraw/zinc/34/25/48/925342548.db2.gz BDHAVKVKOBCSON-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001406060211 925342556 /nfs/dbraw/zinc/34/25/56/925342556.db2.gz BDHAVKVKOBCSON-UHFFFAOYSA-N 1 1 311.390 -1.068 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1nnnn1C ZINC001406053222 925343431 /nfs/dbraw/zinc/34/34/31/925343431.db2.gz ZVKYPIRAAVFBNF-KXUCPTDWSA-N 1 1 309.374 -1.438 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406119394 925344552 /nfs/dbraw/zinc/34/45/52/925344552.db2.gz DJQLRPFFUYJCTL-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406119394 925344559 /nfs/dbraw/zinc/34/45/59/925344559.db2.gz DJQLRPFFUYJCTL-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001406122221 925345031 /nfs/dbraw/zinc/34/50/31/925345031.db2.gz LXFWOISQKJKACZ-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001406122221 925345042 /nfs/dbraw/zinc/34/50/42/925345042.db2.gz LXFWOISQKJKACZ-UHFFFAOYSA-N 1 1 323.357 -1.203 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001406101414 925345138 /nfs/dbraw/zinc/34/51/38/925345138.db2.gz WSFSSOPWNVTDJN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001406101414 925345145 /nfs/dbraw/zinc/34/51/45/925345145.db2.gz WSFSSOPWNVTDJN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001406111395 925345421 /nfs/dbraw/zinc/34/54/21/925345421.db2.gz DJIHIEFPEQFAKL-NSHDSACASA-N 1 1 313.402 -1.976 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001406111395 925345432 /nfs/dbraw/zinc/34/54/32/925345432.db2.gz DJIHIEFPEQFAKL-NSHDSACASA-N 1 1 313.402 -1.976 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406111905 925345754 /nfs/dbraw/zinc/34/57/54/925345754.db2.gz JMBUJAYQUPOTPT-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406111905 925345760 /nfs/dbraw/zinc/34/57/60/925345760.db2.gz JMBUJAYQUPOTPT-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001406104233 925346213 /nfs/dbraw/zinc/34/62/13/925346213.db2.gz GKRJAJLRDJTBGA-SNVBAGLBSA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@H](CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001406104233 925346224 /nfs/dbraw/zinc/34/62/24/925346224.db2.gz GKRJAJLRDJTBGA-SNVBAGLBSA-N 1 1 301.391 -1.088 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001406103737 925346541 /nfs/dbraw/zinc/34/65/41/925346541.db2.gz YVFDJAVVVAAPQF-BHDSKKPTSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001406103737 925346551 /nfs/dbraw/zinc/34/65/51/925346551.db2.gz YVFDJAVVVAAPQF-BHDSKKPTSA-N 1 1 312.370 -1.004 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001406121692 925346665 /nfs/dbraw/zinc/34/66/65/925346665.db2.gz GQDMYCPXWIRHAU-GHMZBOCLSA-N 1 1 313.402 -1.123 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001406121692 925346672 /nfs/dbraw/zinc/34/66/72/925346672.db2.gz GQDMYCPXWIRHAU-GHMZBOCLSA-N 1 1 313.402 -1.123 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001406161879 925347299 /nfs/dbraw/zinc/34/72/99/925347299.db2.gz BCACNSICBFBVRU-JTQLQIEISA-N 1 1 322.431 -1.468 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001406161879 925347305 /nfs/dbraw/zinc/34/73/05/925347305.db2.gz BCACNSICBFBVRU-JTQLQIEISA-N 1 1 322.431 -1.468 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001406133301 925347816 /nfs/dbraw/zinc/34/78/16/925347816.db2.gz IOLIIMHOOHPFTQ-VIFPVBQESA-N 1 1 304.347 -1.767 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001406133301 925347831 /nfs/dbraw/zinc/34/78/31/925347831.db2.gz IOLIIMHOOHPFTQ-VIFPVBQESA-N 1 1 304.347 -1.767 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001406123031 925348442 /nfs/dbraw/zinc/34/84/42/925348442.db2.gz IJMYAYPDTYOFBX-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001406123031 925348451 /nfs/dbraw/zinc/34/84/51/925348451.db2.gz IJMYAYPDTYOFBX-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@@H]21 ZINC001406175026 925348655 /nfs/dbraw/zinc/34/86/55/925348655.db2.gz DQCOIZZLKJPKDE-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001406173872 925348891 /nfs/dbraw/zinc/34/88/91/925348891.db2.gz PRFDJNHZQRFSBV-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)on1 ZINC001406180815 925348932 /nfs/dbraw/zinc/34/89/32/925348932.db2.gz HVKAJSAFQHCAOK-DTWKUNHWSA-N 1 1 309.330 -1.052 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406137191 925348966 /nfs/dbraw/zinc/34/89/66/925348966.db2.gz CTVXCGYZMUKBMC-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406137191 925348976 /nfs/dbraw/zinc/34/89/76/925348976.db2.gz CTVXCGYZMUKBMC-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001406147287 925349406 /nfs/dbraw/zinc/34/94/06/925349406.db2.gz YFIWWRCUTUZQOO-SNVBAGLBSA-N 1 1 310.420 -1.847 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001406191605 925350057 /nfs/dbraw/zinc/35/00/57/925350057.db2.gz XAPZJCOLWOWRNS-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001406191612 925350630 /nfs/dbraw/zinc/35/06/30/925350630.db2.gz XAPZJCOLWOWRNS-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2cn(C)nn2)cn1 ZINC001406193657 925351011 /nfs/dbraw/zinc/35/10/11/925351011.db2.gz LMMLGNCXHBSUAG-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001406201288 925352059 /nfs/dbraw/zinc/35/20/59/925352059.db2.gz CSQAKOLGKFGQAX-JTQLQIEISA-N 1 1 319.387 -2.091 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001406202171 925352519 /nfs/dbraw/zinc/35/25/19/925352519.db2.gz FWKOPWLOYFPNNX-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O)n1 ZINC001406201294 925353779 /nfs/dbraw/zinc/35/37/79/925353779.db2.gz CSQAKOLGKFGQAX-SNVBAGLBSA-N 1 1 319.387 -2.091 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)c2C)n1 ZINC001406198997 925353797 /nfs/dbraw/zinc/35/37/97/925353797.db2.gz BPEFBGAEUNLZCY-LLVKDONJSA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)cn1 ZINC001406206237 925354311 /nfs/dbraw/zinc/35/43/11/925354311.db2.gz HRSTWSQIBXARAG-MWLCHTKSSA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1)c1nncn1C ZINC001406208896 925355036 /nfs/dbraw/zinc/35/50/36/925355036.db2.gz IZPLMHFBTGKXMR-ONGXEEELSA-N 1 1 324.385 -1.531 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CC1)c1nncn1C ZINC001406208880 925355267 /nfs/dbraw/zinc/35/52/67/925355267.db2.gz IZPLMHFBTGKXMR-KOLCDFICSA-N 1 1 324.385 -1.531 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)CNC(=O)C1CC1)c1nncn1C ZINC001406208760 925355733 /nfs/dbraw/zinc/35/57/33/925355733.db2.gz IZPLMHFBTGKXMR-GXSJLCMTSA-N 1 1 324.385 -1.531 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)cn1 ZINC001406206223 925355845 /nfs/dbraw/zinc/35/58/45/925355845.db2.gz HRSTWSQIBXARAG-KOLCDFICSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1cc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n(C)n1 ZINC001406209692 925356578 /nfs/dbraw/zinc/35/65/78/925356578.db2.gz KKPJBLMZUXIURS-ZJUUUORDSA-N 1 1 322.373 -1.306 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)on1 ZINC001406210207 925356623 /nfs/dbraw/zinc/35/66/23/925356623.db2.gz JEUPPXFZBOXKNN-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001406214671 925356873 /nfs/dbraw/zinc/35/68/73/925356873.db2.gz PRLOCASMMHRMQN-ZJUUUORDSA-N 1 1 312.326 -1.102 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001406210095 925357160 /nfs/dbraw/zinc/35/71/60/925357160.db2.gz LEOAOJAOUHEJKE-JGVFFNPUSA-N 1 1 301.372 -1.233 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncnn1CCF)c1cnccn1 ZINC001406210097 925357382 /nfs/dbraw/zinc/35/73/82/925357382.db2.gz YWQGWLHHEZPQHH-SNVBAGLBSA-N 1 1 323.332 -1.082 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001406214655 925357863 /nfs/dbraw/zinc/35/78/63/925357863.db2.gz PRLOCASMMHRMQN-VHSXEESVSA-N 1 1 312.326 -1.102 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cnccn1 ZINC001406210071 925357955 /nfs/dbraw/zinc/35/79/55/925357955.db2.gz YWQGWLHHEZPQHH-JTQLQIEISA-N 1 1 323.332 -1.082 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)n1 ZINC001406217461 925358504 /nfs/dbraw/zinc/35/85/04/925358504.db2.gz JTNUFVKQDRGJKY-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)n1 ZINC001406219539 925359009 /nfs/dbraw/zinc/35/90/09/925359009.db2.gz RSCYXTYDFKWXDZ-GFCCVEGCSA-N 1 1 312.374 -2.286 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001406216345 925359748 /nfs/dbraw/zinc/35/97/48/925359748.db2.gz PBEGNJIZEUFRCA-JTQLQIEISA-N 1 1 313.362 -2.891 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)C)n[nH]1 ZINC001406224487 925362088 /nfs/dbraw/zinc/36/20/88/925362088.db2.gz TUCFQCRNRAGEIZ-JTQLQIEISA-N 1 1 312.374 -1.753 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1ccon1)c1nnnn1C ZINC001406223061 925362109 /nfs/dbraw/zinc/36/21/09/925362109.db2.gz QRHSKCLOQSHCHF-WPRPVWTQSA-N 1 1 309.330 -1.432 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1ccon1)c1nnnn1C ZINC001406222994 925362720 /nfs/dbraw/zinc/36/27/20/925362720.db2.gz QRHSKCLOQSHCHF-PSASIEDQSA-N 1 1 309.330 -1.432 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@](C)(O)C2CC2)n1 ZINC001406224622 925363928 /nfs/dbraw/zinc/36/39/28/925363928.db2.gz XZWMQBUIATVMQR-JSGCOSHPSA-N 1 1 311.386 -1.067 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)nn2)nn1 ZINC001406231114 925365969 /nfs/dbraw/zinc/36/59/69/925365969.db2.gz YSHGUNNQTPRORD-NSHDSACASA-N 1 1 322.373 -1.132 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1cnc[nH]1)C(=O)N(C)C ZINC001406229492 925366146 /nfs/dbraw/zinc/36/61/46/925366146.db2.gz BJYVTRPYKYIIPT-PWSUYJOCSA-N 1 1 311.386 -1.114 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1cnc[nH]1)C(=O)N(C)C ZINC001406229480 925366614 /nfs/dbraw/zinc/36/66/14/925366614.db2.gz BJYVTRPYKYIIPT-JQWIXIFHSA-N 1 1 311.386 -1.114 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](O)C[NH2+][C@H](C)c1ncccn1 ZINC001406234544 925367317 /nfs/dbraw/zinc/36/73/17/925367317.db2.gz HHHZJUGJEUERLD-ZJUUUORDSA-N 1 1 310.358 -1.467 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406235471 925367414 /nfs/dbraw/zinc/36/74/14/925367414.db2.gz PGUQPLOFKVUNMR-GXSJLCMTSA-N 1 1 312.374 -1.704 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O)no1 ZINC001406239740 925368972 /nfs/dbraw/zinc/36/89/72/925368972.db2.gz JCLRXTLBRISRNE-NSHDSACASA-N 1 1 319.383 -1.016 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406239781 925369269 /nfs/dbraw/zinc/36/92/69/925369269.db2.gz NJRTYIVQSCGSPM-JTQLQIEISA-N 1 1 312.330 -1.948 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2)N1CCC1 ZINC001406243537 925371131 /nfs/dbraw/zinc/37/11/31/925371131.db2.gz QGDRYTJLYCNARL-JTQLQIEISA-N 1 1 321.381 -1.189 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nncs2)CC1=O ZINC001406242981 925372107 /nfs/dbraw/zinc/37/21/07/925372107.db2.gz YACDNFDPDNOJGI-RKDXNWHRSA-N 1 1 313.383 -1.417 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001406245355 925373834 /nfs/dbraw/zinc/37/38/34/925373834.db2.gz QNMBUIHGNGOSES-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406248379 925375114 /nfs/dbraw/zinc/37/51/14/925375114.db2.gz RPJCBZPOWKCWNK-LURJTMIESA-N 1 1 323.275 -1.097 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001406249245 925375630 /nfs/dbraw/zinc/37/56/30/925375630.db2.gz TWUQQJCWAJFQIK-SNVBAGLBSA-N 1 1 321.341 -2.211 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)C(=O)N2)no1 ZINC001406251471 925378011 /nfs/dbraw/zinc/37/80/11/925378011.db2.gz GOTCHIREZQCSQB-MNOVXSKESA-N 1 1 311.342 -1.427 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)CNC(=O)NC)n1 ZINC001406252771 925378030 /nfs/dbraw/zinc/37/80/30/925378030.db2.gz YKCGYDXQRSFXKO-JTQLQIEISA-N 1 1 313.362 -2.206 20 0 DAADMO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001406254660 925378631 /nfs/dbraw/zinc/37/86/31/925378631.db2.gz KLUBKPBVOCTGDS-VXGBXAGGSA-N 1 1 300.403 -1.328 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C)c1nncn1C ZINC001406254472 925378777 /nfs/dbraw/zinc/37/87/77/925378777.db2.gz KCKVCHHKCXEUBV-DTWKUNHWSA-N 1 1 323.357 -1.304 20 0 DAADMO CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2=NC(=O)N(C)C2)C1=O ZINC001406255159 925378825 /nfs/dbraw/zinc/37/88/25/925378825.db2.gz GAZMCHPHJLKSFM-DTWKUNHWSA-N 1 1 311.342 -1.963 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001406255061 925379011 /nfs/dbraw/zinc/37/90/11/925379011.db2.gz NVXSZXFFXJISFZ-VHSXEESVSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C)c1nncn1C ZINC001406254488 925379410 /nfs/dbraw/zinc/37/94/10/925379410.db2.gz KCKVCHHKCXEUBV-RKDXNWHRSA-N 1 1 323.357 -1.304 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)n1 ZINC001406255502 925379569 /nfs/dbraw/zinc/37/95/69/925379569.db2.gz CTAGXENOWTUQHL-NSHDSACASA-N 1 1 309.330 -1.602 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)NC2)nc1 ZINC001406255990 925379660 /nfs/dbraw/zinc/37/96/60/925379660.db2.gz OQKCSSQCHZLNRH-RYUDHWBXSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)nc1 ZINC001406255988 925379995 /nfs/dbraw/zinc/37/99/95/925379995.db2.gz OQKCSSQCHZLNRH-NEPJUHHUSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC(=O)C2)[nH]1 ZINC001406253626 925380395 /nfs/dbraw/zinc/38/03/95/925380395.db2.gz ZVEMGGNGRXRZFQ-IINYFYTJSA-N 1 1 324.385 -1.404 20 0 DAADMO CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2=NC(=O)N(C)C2)C1=O ZINC001406255164 925380445 /nfs/dbraw/zinc/38/04/45/925380445.db2.gz GAZMCHPHJLKSFM-IUCAKERBSA-N 1 1 311.342 -1.963 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001406258587 925381960 /nfs/dbraw/zinc/38/19/60/925381960.db2.gz ZBRMBZVXJDMKDR-VIFPVBQESA-N 1 1 321.341 -1.044 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001406257028 925382075 /nfs/dbraw/zinc/38/20/75/925382075.db2.gz GQMZHFJMLCRUSP-NXEZZACHSA-N 1 1 313.362 -2.309 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001406260675 925382884 /nfs/dbraw/zinc/38/28/84/925382884.db2.gz XEMBGUKBRMONLS-RXSPXGNFSA-N 1 1 321.381 -1.195 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001406260420 925383832 /nfs/dbraw/zinc/38/38/32/925383832.db2.gz WSFIOTKHHHUHIO-RYUDHWBXSA-N 1 1 313.358 -1.643 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1cnn[nH]1)NCC1CCC1 ZINC001406260562 925384690 /nfs/dbraw/zinc/38/46/90/925384690.db2.gz XFEXPAXHCZJPDE-SNVBAGLBSA-N 1 1 310.358 -1.599 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)n1 ZINC001406272104 925387429 /nfs/dbraw/zinc/38/74/29/925387429.db2.gz POCCXHQNKAZUCF-LBPRGKRZSA-N 1 1 319.369 -1.195 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1conc1C1CC1 ZINC001406272080 925387569 /nfs/dbraw/zinc/38/75/69/925387569.db2.gz POAHDBBFMAIJMO-SECBINFHSA-N 1 1 321.341 -1.044 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1O ZINC001406270496 925389019 /nfs/dbraw/zinc/38/90/19/925389019.db2.gz DPTSLDSFDQQQFE-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001406276868 925389621 /nfs/dbraw/zinc/38/96/21/925389621.db2.gz FDKFZGOCKZBHLB-QMMMGPOBSA-N 1 1 322.412 -1.741 20 0 DAADMO COc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001406275758 925389800 /nfs/dbraw/zinc/38/98/00/925389800.db2.gz FXNGGMJNNYTKLM-SECBINFHSA-N 1 1 321.341 -1.208 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2C)n1 ZINC001406273574 925390682 /nfs/dbraw/zinc/39/06/82/925390682.db2.gz GZVSLPYMVOLEPB-VXGBXAGGSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001406279163 925392173 /nfs/dbraw/zinc/39/21/73/925392173.db2.gz LJDPDXOXWBEZDI-JTQLQIEISA-N 1 1 320.371 -1.867 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1)c1cnccn1 ZINC001406281506 925392193 /nfs/dbraw/zinc/39/21/93/925392193.db2.gz JLNKENOVNQNIFL-VHSXEESVSA-N 1 1 305.342 -1.035 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)N1CCCCCC1 ZINC001406287976 925393507 /nfs/dbraw/zinc/39/35/07/925393507.db2.gz YNCUDXYOSNGAAB-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)N1CCCCCC1 ZINC001406287976 925393515 /nfs/dbraw/zinc/39/35/15/925393515.db2.gz YNCUDXYOSNGAAB-NSHDSACASA-N 1 1 324.385 -1.112 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1nccn1C ZINC001406288429 925395258 /nfs/dbraw/zinc/39/52/58/925395258.db2.gz MMXBHBNFOXOQAE-SNVBAGLBSA-N 1 1 318.399 -1.579 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(C)cc2=O)[nH]1 ZINC001406286702 925395500 /nfs/dbraw/zinc/39/55/00/925395500.db2.gz OZZFZAXMNJEMKZ-JTQLQIEISA-N 1 1 320.353 -1.010 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001406283775 925395694 /nfs/dbraw/zinc/39/56/94/925395694.db2.gz KITGLHIKJVGHNV-GWCFXTLKSA-N 1 1 321.385 -1.016 20 0 DAADMO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001406287122 925395737 /nfs/dbraw/zinc/39/57/37/925395737.db2.gz MAEODIRODMLDCR-MFKMUULPSA-N 1 1 321.385 -1.016 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCN2CCCC2=O)[nH]1 ZINC001406288574 925396307 /nfs/dbraw/zinc/39/63/07/925396307.db2.gz MUYNHUJYWBQQIO-NSHDSACASA-N 1 1 324.385 -1.308 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CN1CCCC1 ZINC001406293380 925397396 /nfs/dbraw/zinc/39/73/96/925397396.db2.gz QNBVVCVQXYBISO-GFCCVEGCSA-N 1 1 300.403 -1.373 20 0 DAADMO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nonc2C)nn1 ZINC001406294031 925398822 /nfs/dbraw/zinc/39/88/22/925398822.db2.gz VEOBAJBUCWUALN-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406294171 925399294 /nfs/dbraw/zinc/39/92/94/925399294.db2.gz UBEIHSKBHBSYFA-SNVBAGLBSA-N 1 1 306.330 -1.880 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001406295398 925399822 /nfs/dbraw/zinc/39/98/22/925399822.db2.gz UQQGQYSRGULIOT-RKDXNWHRSA-N 1 1 313.383 -1.227 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)CNC(=O)C1CC1 ZINC001406338321 925403643 /nfs/dbraw/zinc/40/36/43/925403643.db2.gz MMPZPIJEZWSYTM-BDAKNGLRSA-N 1 1 309.374 -1.108 20 0 DAADMO C[C@H](C[NH2+]Cc1nnc2n1CCCC2)NC(=O)Cn1cnnn1 ZINC001406332631 925403838 /nfs/dbraw/zinc/40/38/38/925403838.db2.gz PTMSTTYGHNOSCL-SNVBAGLBSA-N 1 1 319.373 -1.105 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001406379859 925408378 /nfs/dbraw/zinc/40/83/78/925408378.db2.gz KCGAKGKOYMHAIQ-RKDXNWHRSA-N 1 1 303.388 -1.158 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001406427878 925414150 /nfs/dbraw/zinc/41/41/50/925414150.db2.gz FOLJYWFPBMUUMM-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)Cc1nnc[nH]1 ZINC001406412316 925414359 /nfs/dbraw/zinc/41/43/59/925414359.db2.gz BQUFOFYGXLKFJN-SECBINFHSA-N 1 1 318.341 -1.130 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(C)c(=O)n1C ZINC001406427449 925415075 /nfs/dbraw/zinc/41/50/75/925415075.db2.gz CRVURBDLTFBIGR-SECBINFHSA-N 1 1 307.358 -1.240 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)c1cn(C)nn1 ZINC001406467483 925415780 /nfs/dbraw/zinc/41/57/80/925415780.db2.gz FIBKSEBXZRRUSA-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)CC1=O ZINC001406476568 925418424 /nfs/dbraw/zinc/41/84/24/925418424.db2.gz YHZVKANZIQQCDA-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1)S(C)(=O)=O ZINC001406484380 925419071 /nfs/dbraw/zinc/41/90/71/925419071.db2.gz MFXZLKHFKQKFOS-DTWKUNHWSA-N 1 1 303.388 -1.158 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)CCc1cnn(C)n1 ZINC001406528632 925420938 /nfs/dbraw/zinc/42/09/38/925420938.db2.gz LCWMDSLPUJYHQW-VIFPVBQESA-N 1 1 307.362 -1.434 20 0 DAADMO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001406581403 925422493 /nfs/dbraw/zinc/42/24/93/925422493.db2.gz LNYINRWRNRHCFW-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001406581403 925422498 /nfs/dbraw/zinc/42/24/98/925422498.db2.gz LNYINRWRNRHCFW-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001406597181 925423655 /nfs/dbraw/zinc/42/36/55/925423655.db2.gz CJWYYJMTEWCNNA-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001406597181 925423662 /nfs/dbraw/zinc/42/36/62/925423662.db2.gz CJWYYJMTEWCNNA-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001406616436 925423877 /nfs/dbraw/zinc/42/38/77/925423877.db2.gz STUMFESILQYDJA-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001406616436 925423882 /nfs/dbraw/zinc/42/38/82/925423882.db2.gz STUMFESILQYDJA-VHSXEESVSA-N 1 1 320.415 -1.749 20 0 DAADMO CCN(CC)C(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001406614112 925424328 /nfs/dbraw/zinc/42/43/28/925424328.db2.gz PFRRUGFQKAXUAU-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO CCN(CC)C(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001406614112 925424331 /nfs/dbraw/zinc/42/43/31/925424331.db2.gz PFRRUGFQKAXUAU-LLVKDONJSA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001406585655 925424484 /nfs/dbraw/zinc/42/44/84/925424484.db2.gz OWOLLTRTNRLUKY-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1cnnn1 ZINC001406585655 925424488 /nfs/dbraw/zinc/42/44/88/925424488.db2.gz OWOLLTRTNRLUKY-SECBINFHSA-N 1 1 319.391 -2.341 20 0 DAADMO COCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001406588949 925424671 /nfs/dbraw/zinc/42/46/71/925424671.db2.gz UZFDGSDJAIKDEJ-JTQLQIEISA-N 1 1 312.370 -1.333 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406589609 925425142 /nfs/dbraw/zinc/42/51/42/925425142.db2.gz YFAHWRGADJHMFD-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406589609 925425143 /nfs/dbraw/zinc/42/51/43/925425143.db2.gz YFAHWRGADJHMFD-SECBINFHSA-N 1 1 315.374 -1.466 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001406628767 925426327 /nfs/dbraw/zinc/42/63/27/925426327.db2.gz DKIZRJIRFZITNR-QMMMGPOBSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001406628767 925426336 /nfs/dbraw/zinc/42/63/36/925426336.db2.gz DKIZRJIRFZITNR-QMMMGPOBSA-N 1 1 309.392 -2.777 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406644234 925426413 /nfs/dbraw/zinc/42/64/13/925426413.db2.gz CCLQNTHZETWPHF-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001406644234 925426416 /nfs/dbraw/zinc/42/64/16/925426416.db2.gz CCLQNTHZETWPHF-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001406633645 925426629 /nfs/dbraw/zinc/42/66/29/925426629.db2.gz JVOCSLHQWKUODL-GHMZBOCLSA-N 1 1 312.370 -1.162 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406659659 925426671 /nfs/dbraw/zinc/42/66/71/925426671.db2.gz AQZHVCMVDOUSFH-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001406659659 925426673 /nfs/dbraw/zinc/42/66/73/925426673.db2.gz AQZHVCMVDOUSFH-ZJUUUORDSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001406634876 925426723 /nfs/dbraw/zinc/42/67/23/925426723.db2.gz KUEVLTLHFJHDFN-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001406634876 925426731 /nfs/dbraw/zinc/42/67/31/925426731.db2.gz KUEVLTLHFJHDFN-JTQLQIEISA-N 1 1 312.374 -1.846 20 0 DAADMO C[C@@H](C[N@H+](C)CCCS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001406654330 925426859 /nfs/dbraw/zinc/42/68/59/925426859.db2.gz QCXOMATVFQLYQX-VIFPVBQESA-N 1 1 318.403 -1.305 20 0 DAADMO C[C@@H](C[N@@H+](C)CCCS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001406654330 925426868 /nfs/dbraw/zinc/42/68/68/925426868.db2.gz QCXOMATVFQLYQX-VIFPVBQESA-N 1 1 318.403 -1.305 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001406642362 925427233 /nfs/dbraw/zinc/42/72/33/925427233.db2.gz ORYMDAVFIZCUMH-JQWIXIFHSA-N 1 1 322.427 -1.135 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001406642362 925427242 /nfs/dbraw/zinc/42/72/42/925427242.db2.gz ORYMDAVFIZCUMH-JQWIXIFHSA-N 1 1 322.427 -1.135 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001406651281 925427388 /nfs/dbraw/zinc/42/73/88/925427388.db2.gz SCNUQNQSKDVPDX-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001406651281 925427397 /nfs/dbraw/zinc/42/73/97/925427397.db2.gz SCNUQNQSKDVPDX-LLVKDONJSA-N 1 1 313.402 -2.057 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)CCNC(N)=O ZINC001406686596 925427987 /nfs/dbraw/zinc/42/79/87/925427987.db2.gz GZCOFWQPQBPIRA-SNVBAGLBSA-N 1 1 314.390 -1.494 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001406671188 925428050 /nfs/dbraw/zinc/42/80/50/925428050.db2.gz TWRIIGFSKKUJOH-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001406671188 925428054 /nfs/dbraw/zinc/42/80/54/925428054.db2.gz TWRIIGFSKKUJOH-SCZZXKLOSA-N 1 1 315.374 -1.468 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703055 925428281 /nfs/dbraw/zinc/42/82/81/925428281.db2.gz VPVKVDFDWLRQHX-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001406703055 925428288 /nfs/dbraw/zinc/42/82/88/925428288.db2.gz VPVKVDFDWLRQHX-VHSXEESVSA-N 1 1 322.431 -1.551 20 0 DAADMO C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001406681901 925428316 /nfs/dbraw/zinc/42/83/16/925428316.db2.gz UVCDXMLNAWINNN-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406693623 925428660 /nfs/dbraw/zinc/42/86/60/925428660.db2.gz MQUBUBXULULJJO-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406709365 925428789 /nfs/dbraw/zinc/42/87/89/925428789.db2.gz UXMYGFYJTGSKJF-QWRGUYRKSA-N 1 1 313.402 -1.170 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001406686005 925428841 /nfs/dbraw/zinc/42/88/41/925428841.db2.gz KNFZAWCQOPIIEO-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cnn(C)c1 ZINC001406727245 925429848 /nfs/dbraw/zinc/42/98/48/925429848.db2.gz RTGAHICRMFBAAU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CCc1cnn(C)c1 ZINC001406727245 925429855 /nfs/dbraw/zinc/42/98/55/925429855.db2.gz RTGAHICRMFBAAU-JTQLQIEISA-N 1 1 324.385 -1.016 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001406781762 925431173 /nfs/dbraw/zinc/43/11/73/925431173.db2.gz ZBQORDPXEFAJTO-GFCCVEGCSA-N 1 1 322.369 -1.514 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001406776146 925431466 /nfs/dbraw/zinc/43/14/66/925431466.db2.gz RSALHGSWXXDJLR-WCBMZHEXSA-N 1 1 309.374 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001406768055 925431516 /nfs/dbraw/zinc/43/15/16/925431516.db2.gz BXPUSKOKBVSAAD-IUCAKERBSA-N 1 1 308.346 -2.124 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2COC(=O)N2)C2CC2)nn1 ZINC001406761432 925431724 /nfs/dbraw/zinc/43/17/24/925431724.db2.gz UTFWZLDZDCGIPO-GHMZBOCLSA-N 1 1 308.342 -1.092 20 0 DAADMO O=C(C[NH2+]C[C@@H](NC(=O)c1ncn[nH]1)C1CC1)N1CCOCC1 ZINC001406793162 925431856 /nfs/dbraw/zinc/43/18/56/925431856.db2.gz QVERBNFEXSUYGU-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]C[C@@H](NC(=O)c1nc[nH]n1)C1CC1)N1CCOCC1 ZINC001406793162 925431861 /nfs/dbraw/zinc/43/18/61/925431861.db2.gz QVERBNFEXSUYGU-LLVKDONJSA-N 1 1 322.369 -1.239 20 0 DAADMO Cn1cc(C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)nn1 ZINC001406759051 925432051 /nfs/dbraw/zinc/43/20/51/925432051.db2.gz KEFGIOXFWBSPMA-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)[C@H](O)C1 ZINC001406818227 925433265 /nfs/dbraw/zinc/43/32/65/925433265.db2.gz BMDIZKXQEKVWQH-MWLCHTKSSA-N 1 1 310.358 -1.552 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)cc1=O ZINC001406825216 925434889 /nfs/dbraw/zinc/43/48/89/925434889.db2.gz FRFHLMAWMHMWNP-LBPRGKRZSA-N 1 1 317.353 -1.238 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001406857783 925438297 /nfs/dbraw/zinc/43/82/97/925438297.db2.gz PCAMVRBQZSEWJA-QWRGUYRKSA-N 1 1 324.385 -1.164 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406863140 925439558 /nfs/dbraw/zinc/43/95/58/925439558.db2.gz RMDFURSQAJHQQM-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406863140 925439565 /nfs/dbraw/zinc/43/95/65/925439565.db2.gz RMDFURSQAJHQQM-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001406897186 925440938 /nfs/dbraw/zinc/44/09/38/925440938.db2.gz PCNDGNKLUNCMLM-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001406897186 925440946 /nfs/dbraw/zinc/44/09/46/925440946.db2.gz PCNDGNKLUNCMLM-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001406886551 925440960 /nfs/dbraw/zinc/44/09/60/925440960.db2.gz JBPQUPMXKXDBGZ-MNOVXSKESA-N 1 1 310.354 -1.408 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+]1CCN1CCCC1=O ZINC001406877305 925442106 /nfs/dbraw/zinc/44/21/06/925442106.db2.gz LVTAGALLGOXWGC-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@H+]1CCN1CCCC1=O ZINC001406877305 925442109 /nfs/dbraw/zinc/44/21/09/925442109.db2.gz LVTAGALLGOXWGC-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1)c1cnn[nH]1 ZINC001406962186 925444735 /nfs/dbraw/zinc/44/47/35/925444735.db2.gz WEQVQRRHNFIHTR-JTQLQIEISA-N 1 1 322.369 -1.360 20 0 DAADMO CN1C[C@@H](C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)NC1=O ZINC001406960852 925445020 /nfs/dbraw/zinc/44/50/20/925445020.db2.gz WDPUOPJFIFSSDR-QMMMGPOBSA-N 1 1 323.357 -2.130 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001407055330 925448682 /nfs/dbraw/zinc/44/86/82/925448682.db2.gz QIIXWVYZOPDTMM-LLVKDONJSA-N 1 1 323.415 -1.924 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N(C)C(=O)CN2CCOCC2)C1 ZINC001407047442 925448711 /nfs/dbraw/zinc/44/87/11/925448711.db2.gz FHBBGXSJWQXOQY-CYBMUJFWSA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(=O)NC(N)=O)C1 ZINC001407056191 925449352 /nfs/dbraw/zinc/44/93/52/925449352.db2.gz IEACPLMKCUNPLZ-JTQLQIEISA-N 1 1 313.358 -2.346 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)NC(N)=O)C1 ZINC001407056191 925449359 /nfs/dbraw/zinc/44/93/59/925449359.db2.gz IEACPLMKCUNPLZ-JTQLQIEISA-N 1 1 313.358 -2.346 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407070793 925450012 /nfs/dbraw/zinc/45/00/12/925450012.db2.gz BCTWOXYBZSFWLB-SNVBAGLBSA-N 1 1 311.386 -1.464 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001407073093 925451434 /nfs/dbraw/zinc/45/14/34/925451434.db2.gz HPDZUHCGPUYVHZ-VIFPVBQESA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001407073091 925451573 /nfs/dbraw/zinc/45/15/73/925451573.db2.gz HPDZUHCGPUYVHZ-SECBINFHSA-N 1 1 322.369 -1.082 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001407082634 925451730 /nfs/dbraw/zinc/45/17/30/925451730.db2.gz RRQAIYYQPRUWMC-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001407109412 925452730 /nfs/dbraw/zinc/45/27/30/925452730.db2.gz SXSTVZGYGINZKD-WDEREUQCSA-N 1 1 322.369 -1.035 20 0 DAADMO CN(CC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1)S(C)(=O)=O ZINC001407161981 925455357 /nfs/dbraw/zinc/45/53/57/925455357.db2.gz BJBKEOVYRHNPDC-LBPRGKRZSA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)O)C1 ZINC001407173948 925456089 /nfs/dbraw/zinc/45/60/89/925456089.db2.gz YXDODPSLQFDXHW-QMTHXVAHSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1)C(N)=O ZINC001407182956 925456189 /nfs/dbraw/zinc/45/61/89/925456189.db2.gz VUJFYFYSVQEGCE-GXFFZTMASA-N 1 1 300.359 -2.061 20 0 DAADMO CN1CCN(CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001407172860 925456435 /nfs/dbraw/zinc/45/64/35/925456435.db2.gz YDLQPXZWSVNCRS-AWEZNQCLSA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CCN(CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001407172860 925456440 /nfs/dbraw/zinc/45/64/40/925456440.db2.gz YDLQPXZWSVNCRS-AWEZNQCLSA-N 1 1 311.386 -2.174 20 0 DAADMO C[C@]1(NC(=O)CN2CCCS2(=O)=O)CC[N@@H+](CCCO)C1 ZINC001407168163 925456631 /nfs/dbraw/zinc/45/66/31/925456631.db2.gz AXIRIKVAEJZPPA-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO C[C@@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+](CC(N)=O)C1 ZINC001407163062 925456670 /nfs/dbraw/zinc/45/66/70/925456670.db2.gz GLOGNXHCQNZPMM-CYBMUJFWSA-N 1 1 309.326 -1.985 20 0 DAADMO C[C@@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+](CC(N)=O)C1 ZINC001407163062 925456678 /nfs/dbraw/zinc/45/66/78/925456678.db2.gz GLOGNXHCQNZPMM-CYBMUJFWSA-N 1 1 309.326 -1.985 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001407180126 925456827 /nfs/dbraw/zinc/45/68/27/925456827.db2.gz RSQMUDQHVDAUHE-LDYMZIIASA-N 1 1 321.403 -2.505 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001407180126 925456834 /nfs/dbraw/zinc/45/68/34/925456834.db2.gz RSQMUDQHVDAUHE-LDYMZIIASA-N 1 1 321.403 -2.505 20 0 DAADMO CNC(=O)NCC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001407174293 925457139 /nfs/dbraw/zinc/45/71/39/925457139.db2.gz GMWUVUBTZOOWFA-QMTHXVAHSA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@]1(NC(=O)Cc2cnoc2)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407182421 925457419 /nfs/dbraw/zinc/45/74/19/925457419.db2.gz OZWANDSPXFBEPB-ZDUSSCGKSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@]1(NC(=O)Cc2cnoc2)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407182421 925457425 /nfs/dbraw/zinc/45/74/25/925457425.db2.gz OZWANDSPXFBEPB-ZDUSSCGKSA-N 1 1 309.326 -1.007 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001407172076 925457655 /nfs/dbraw/zinc/45/76/55/925457655.db2.gz JTPQJAMMGQKBSK-ZYHUDNBSSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001407172046 925457666 /nfs/dbraw/zinc/45/76/66/925457666.db2.gz JTPQJAMMGQKBSK-JQWIXIFHSA-N 1 1 322.431 -1.656 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CC(=O)NC(N)=O)C2)C1 ZINC001407186541 925458483 /nfs/dbraw/zinc/45/84/83/925458483.db2.gz TUVGJPDTOQKBAA-QMTHXVAHSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001407223472 925460118 /nfs/dbraw/zinc/46/01/18/925460118.db2.gz DUXUYZUIWUSFIX-CQSZACIVSA-N 1 1 322.369 -1.025 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3nnn(C)n3)C2)nn1 ZINC001407227988 925460438 /nfs/dbraw/zinc/46/04/38/925460438.db2.gz SRAFKWHTSHPPAL-ZDUSSCGKSA-N 1 1 319.373 -1.019 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001407285319 925461765 /nfs/dbraw/zinc/46/17/65/925461765.db2.gz IFDDRNBRNMDLOQ-CYBMUJFWSA-N 1 1 309.374 -1.363 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cncn2C)C1 ZINC001407322323 925462265 /nfs/dbraw/zinc/46/22/65/925462265.db2.gz FQSOUYNUDWHCBR-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cncn2C)C1 ZINC001407322323 925462270 /nfs/dbraw/zinc/46/22/70/925462270.db2.gz FQSOUYNUDWHCBR-HNNXBMFYSA-N 1 1 323.397 -1.049 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(C)CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001407304877 925462563 /nfs/dbraw/zinc/46/25/63/925462563.db2.gz QNCBDYWQQYCXCL-YGRLFVJLSA-N 1 1 321.385 -1.070 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001407317422 925462585 /nfs/dbraw/zinc/46/25/85/925462585.db2.gz KQUNDTQFBFLDMK-AWEZNQCLSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(C)C)C1 ZINC001407317422 925462590 /nfs/dbraw/zinc/46/25/90/925462590.db2.gz KQUNDTQFBFLDMK-AWEZNQCLSA-N 1 1 314.386 -1.800 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001407324430 925462815 /nfs/dbraw/zinc/46/28/15/925462815.db2.gz BEGWDQQUBSMIGV-ZDUSSCGKSA-N 1 1 323.357 -2.495 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001407324430 925462822 /nfs/dbraw/zinc/46/28/22/925462822.db2.gz BEGWDQQUBSMIGV-ZDUSSCGKSA-N 1 1 323.357 -2.495 20 0 DAADMO Cn1nnc(C(=O)NC[C@@]2(C)CCC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001407304870 925462833 /nfs/dbraw/zinc/46/28/33/925462833.db2.gz QNCBDYWQQYCXCL-QMTHXVAHSA-N 1 1 321.385 -1.070 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001407314288 925463417 /nfs/dbraw/zinc/46/34/17/925463417.db2.gz BPYCWBGOTYEAQA-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001407314288 925463420 /nfs/dbraw/zinc/46/34/20/925463420.db2.gz BPYCWBGOTYEAQA-HNNXBMFYSA-N 1 1 321.381 -1.026 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407341866 925464090 /nfs/dbraw/zinc/46/40/90/925464090.db2.gz CVVHOLLXWYXARY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1cn(C)nc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407341866 925464096 /nfs/dbraw/zinc/46/40/96/925464096.db2.gz CVVHOLLXWYXARY-HNNXBMFYSA-N 1 1 323.397 -1.017 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001407335145 925464192 /nfs/dbraw/zinc/46/41/92/925464192.db2.gz ZUPAJCVVLZKFMU-LBPRGKRZSA-N 1 1 307.416 -1.255 20 0 DAADMO CC(C)C(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001407335145 925464195 /nfs/dbraw/zinc/46/41/95/925464195.db2.gz ZUPAJCVVLZKFMU-LBPRGKRZSA-N 1 1 307.416 -1.255 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001407345721 925464234 /nfs/dbraw/zinc/46/42/34/925464234.db2.gz CUFYPRYNZKFSDZ-OAHLLOKOSA-N 1 1 321.381 -1.263 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001407345721 925464238 /nfs/dbraw/zinc/46/42/38/925464238.db2.gz CUFYPRYNZKFSDZ-OAHLLOKOSA-N 1 1 321.381 -1.263 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001407343784 925464268 /nfs/dbraw/zinc/46/42/68/925464268.db2.gz GJTKEWBAWMKXMN-ZWNOBZJWSA-N 1 1 302.375 -1.367 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001407345464 925464535 /nfs/dbraw/zinc/46/45/35/925464535.db2.gz HPCQAJTUMFCQQL-BXUZGUMPSA-N 1 1 315.370 -1.909 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CO[C@@H]2CCOC2)C1 ZINC001407345464 925464541 /nfs/dbraw/zinc/46/45/41/925464541.db2.gz HPCQAJTUMFCQQL-BXUZGUMPSA-N 1 1 315.370 -1.909 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(=O)c1 ZINC001407343491 925464943 /nfs/dbraw/zinc/46/49/43/925464943.db2.gz AGAAETYQXQSJII-HNNXBMFYSA-N 1 1 322.365 -1.805 20 0 DAADMO Cc1ccn(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(=O)c1 ZINC001407343491 925464952 /nfs/dbraw/zinc/46/49/52/925464952.db2.gz AGAAETYQXQSJII-HNNXBMFYSA-N 1 1 322.365 -1.805 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001407348444 925465127 /nfs/dbraw/zinc/46/51/27/925465127.db2.gz GUTAFDSOGIPVNT-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001407348444 925465132 /nfs/dbraw/zinc/46/51/32/925465132.db2.gz GUTAFDSOGIPVNT-AWEZNQCLSA-N 1 1 309.370 -1.407 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345340 925465463 /nfs/dbraw/zinc/46/54/63/925465463.db2.gz JAGGXIFSUUBFER-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2ccnn2C)C1 ZINC001407345340 925465477 /nfs/dbraw/zinc/46/54/77/925465477.db2.gz JAGGXIFSUUBFER-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO O=C(Cc1c[nH]cn1)NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001407348995 925465713 /nfs/dbraw/zinc/46/57/13/925465713.db2.gz HOHYYEMQHQIISF-SWLSCSKDSA-N 1 1 321.381 -1.216 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001407343345 925465852 /nfs/dbraw/zinc/46/58/52/925465852.db2.gz KJFKJCYHDQTYFM-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001407343345 925465857 /nfs/dbraw/zinc/46/58/57/925465857.db2.gz KJFKJCYHDQTYFM-AWEZNQCLSA-N 1 1 324.385 -1.691 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353958 925466570 /nfs/dbraw/zinc/46/65/70/925466570.db2.gz PVIVEWXZFIVCGL-ABAIWWIYSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353958 925466574 /nfs/dbraw/zinc/46/65/74/925466574.db2.gz PVIVEWXZFIVCGL-ABAIWWIYSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353961 925466609 /nfs/dbraw/zinc/46/66/09/925466609.db2.gz PVIVEWXZFIVCGL-IAQYHMDHSA-N 1 1 319.365 -1.126 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ncccn3)C2)C1=O ZINC001407353961 925466614 /nfs/dbraw/zinc/46/66/14/925466614.db2.gz PVIVEWXZFIVCGL-IAQYHMDHSA-N 1 1 319.365 -1.126 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001407355974 925466731 /nfs/dbraw/zinc/46/67/31/925466731.db2.gz UCSWQQAZNSHXQV-OCCSQVGLSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(COCC(F)F)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407351101 925466786 /nfs/dbraw/zinc/46/67/86/925466786.db2.gz BYGNUTBLIUOSAB-RNCFNFMXSA-N 1 1 321.324 -1.290 20 0 DAADMO O=C(COCC(F)F)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407351101 925466791 /nfs/dbraw/zinc/46/67/91/925466791.db2.gz BYGNUTBLIUOSAB-RNCFNFMXSA-N 1 1 321.324 -1.290 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001407351948 925466865 /nfs/dbraw/zinc/46/68/65/925466865.db2.gz MNOFWOODQODLDG-RISCZKNCSA-N 1 1 310.354 -1.350 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001407356372 925467070 /nfs/dbraw/zinc/46/70/70/925467070.db2.gz HUPOTJIKVSYXJR-IINYFYTJSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001407356372 925467075 /nfs/dbraw/zinc/46/70/75/925467075.db2.gz HUPOTJIKVSYXJR-IINYFYTJSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(COCC(F)F)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001407351118 925467327 /nfs/dbraw/zinc/46/73/27/925467327.db2.gz BYGNUTBLIUOSAB-ZANVPECISA-N 1 1 321.324 -1.290 20 0 DAADMO O=C(COCC(F)F)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001407351118 925467338 /nfs/dbraw/zinc/46/73/38/925467338.db2.gz BYGNUTBLIUOSAB-ZANVPECISA-N 1 1 321.324 -1.290 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001407356368 925467725 /nfs/dbraw/zinc/46/77/25/925467725.db2.gz HUPOTJIKVSYXJR-HZMBPMFUSA-N 1 1 312.370 -2.059 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001407356368 925467731 /nfs/dbraw/zinc/46/77/31/925467731.db2.gz HUPOTJIKVSYXJR-HZMBPMFUSA-N 1 1 312.370 -2.059 20 0 DAADMO CCCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001407352590 925467913 /nfs/dbraw/zinc/46/79/13/925467913.db2.gz PSWINSWDPWSLLO-AWEZNQCLSA-N 1 1 324.385 -1.270 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001407356472 925468003 /nfs/dbraw/zinc/46/80/03/925468003.db2.gz YXXLBHUAZMLIPZ-GFCCVEGCSA-N 1 1 323.415 -1.923 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cn1 ZINC001407352479 925468083 /nfs/dbraw/zinc/46/80/83/925468083.db2.gz NOQRTUPKFOTTJX-ZOWXZIJZSA-N 1 1 321.381 -1.438 20 0 DAADMO Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cn1 ZINC001407352479 925468086 /nfs/dbraw/zinc/46/80/86/925468086.db2.gz NOQRTUPKFOTTJX-ZOWXZIJZSA-N 1 1 321.381 -1.438 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+](Cc3cncn3C)C2)n1 ZINC001407351352 925468352 /nfs/dbraw/zinc/46/83/52/925468352.db2.gz OFAHWYNYMLMPRD-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3cncn3C)C2)n1 ZINC001407351352 925468358 /nfs/dbraw/zinc/46/83/58/925468358.db2.gz OFAHWYNYMLMPRD-CQSZACIVSA-N 1 1 319.369 -1.085 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407349653 925468485 /nfs/dbraw/zinc/46/84/85/925468485.db2.gz NCFFQEINLINLNL-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407349653 925468489 /nfs/dbraw/zinc/46/84/89/925468489.db2.gz NCFFQEINLINLNL-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001407364680 925469552 /nfs/dbraw/zinc/46/95/52/925469552.db2.gz AWEDTEWOHIYJJT-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364892 925469723 /nfs/dbraw/zinc/46/97/23/925469723.db2.gz BRBQIODQCFBDIO-BJOHPYRUSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364892 925469729 /nfs/dbraw/zinc/46/97/29/925469729.db2.gz BRBQIODQCFBDIO-BJOHPYRUSA-N 1 1 321.381 -1.061 20 0 DAADMO CO[C@H](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001407362813 925470093 /nfs/dbraw/zinc/47/00/93/925470093.db2.gz QKXKISKAOHPIDC-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO CO[C@H](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001407362813 925470101 /nfs/dbraw/zinc/47/01/01/925470101.db2.gz QKXKISKAOHPIDC-NOZJJQNGSA-N 1 1 316.358 -1.841 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363891 925470132 /nfs/dbraw/zinc/47/01/32/925470132.db2.gz JSYDLRQUUCLLMD-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1ccc(=O)[nH]c1 ZINC001407363891 925470138 /nfs/dbraw/zinc/47/01/38/925470138.db2.gz JSYDLRQUUCLLMD-ABAIWWIYSA-N 1 1 320.349 -1.158 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001407364105 925470172 /nfs/dbraw/zinc/47/01/72/925470172.db2.gz OBFHJWKJNJGODD-RMRHIDDWSA-N 1 1 314.382 -1.417 20 0 DAADMO Cc1nonc1CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001407364159 925470394 /nfs/dbraw/zinc/47/03/94/925470394.db2.gz GYWIOQXEMJSRKT-BXUZGUMPSA-N 1 1 323.353 -1.638 20 0 DAADMO Cc1nonc1CC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001407364159 925470405 /nfs/dbraw/zinc/47/04/05/925470405.db2.gz GYWIOQXEMJSRKT-BXUZGUMPSA-N 1 1 323.353 -1.638 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364897 925470437 /nfs/dbraw/zinc/47/04/37/925470437.db2.gz BRBQIODQCFBDIO-VFZGTOFNSA-N 1 1 321.381 -1.061 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2n[nH]c3c2CCC3)C1 ZINC001407364897 925470440 /nfs/dbraw/zinc/47/04/40/925470440.db2.gz BRBQIODQCFBDIO-VFZGTOFNSA-N 1 1 321.381 -1.061 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407364173 925470513 /nfs/dbraw/zinc/47/05/13/925470513.db2.gz JKNDCPCKCRMNLC-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407364173 925470521 /nfs/dbraw/zinc/47/05/21/925470521.db2.gz JKNDCPCKCRMNLC-ZDUSSCGKSA-N 1 1 321.341 -1.127 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001407357728 925470974 /nfs/dbraw/zinc/47/09/74/925470974.db2.gz CDTGGXIHCZCNTH-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001407357728 925470977 /nfs/dbraw/zinc/47/09/77/925470977.db2.gz CDTGGXIHCZCNTH-HNNXBMFYSA-N 1 1 323.397 -1.348 20 0 DAADMO Cc1nocc1C[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407364152 925471118 /nfs/dbraw/zinc/47/11/18/925471118.db2.gz JKNDCPCKCRMNLC-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1nocc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407364152 925471119 /nfs/dbraw/zinc/47/11/19/925471119.db2.gz JKNDCPCKCRMNLC-CYBMUJFWSA-N 1 1 321.341 -1.127 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)on1 ZINC001407357411 925471125 /nfs/dbraw/zinc/47/11/25/925471125.db2.gz GNUONKQSWCOOCB-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CNC(=O)N3)C2)on1 ZINC001407357411 925471129 /nfs/dbraw/zinc/47/11/29/925471129.db2.gz GNUONKQSWCOOCB-FZMZJTMJSA-N 1 1 323.353 -1.283 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC(F)F)C1 ZINC001407371478 925471959 /nfs/dbraw/zinc/47/19/59/925471959.db2.gz ODIZSULGBNRGJD-GFCCVEGCSA-N 1 1 322.312 -1.220 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCC(F)F)C1 ZINC001407371478 925471965 /nfs/dbraw/zinc/47/19/65/925471965.db2.gz ODIZSULGBNRGJD-GFCCVEGCSA-N 1 1 322.312 -1.220 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407367470 925472038 /nfs/dbraw/zinc/47/20/38/925472038.db2.gz NFTAKYKRFYDCRI-IINYFYTJSA-N 1 1 312.370 -2.094 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001407367470 925472046 /nfs/dbraw/zinc/47/20/46/925472046.db2.gz NFTAKYKRFYDCRI-IINYFYTJSA-N 1 1 312.370 -2.094 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)Cc3nc[nH]n3)C2)C1=O ZINC001407378616 925474110 /nfs/dbraw/zinc/47/41/10/925474110.db2.gz UQRDJIJNJUYDTL-HZMBPMFUSA-N 1 1 322.369 -1.869 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001407380382 925474193 /nfs/dbraw/zinc/47/41/93/925474193.db2.gz DVKQIPNDJUBJNO-NHYWBVRUSA-N 1 1 323.397 -1.004 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001407380382 925474196 /nfs/dbraw/zinc/47/41/96/925474196.db2.gz DVKQIPNDJUBJNO-NHYWBVRUSA-N 1 1 323.397 -1.004 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccnc2n[nH]nc21 ZINC001407377753 925474330 /nfs/dbraw/zinc/47/43/30/925474330.db2.gz TYSKBPUFEIUIIA-CYBMUJFWSA-N 1 1 306.326 -1.488 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377573 925474369 /nfs/dbraw/zinc/47/43/69/925474369.db2.gz YINDJVCIVSMYPD-KBPBESRZSA-N 1 1 312.370 -2.059 20 0 DAADMO C[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377573 925474372 /nfs/dbraw/zinc/47/43/72/925474372.db2.gz YINDJVCIVSMYPD-KBPBESRZSA-N 1 1 312.370 -2.059 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CC(=O)NC3CC3)C2)C1 ZINC001407380304 925474597 /nfs/dbraw/zinc/47/45/97/925474597.db2.gz DVADEELFIVADMR-BLLLJJGKSA-N 1 1 324.425 -1.230 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001407375458 925474739 /nfs/dbraw/zinc/47/47/39/925474739.db2.gz ASOTVIHVUOEAMI-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001407375458 925474747 /nfs/dbraw/zinc/47/47/47/925474747.db2.gz ASOTVIHVUOEAMI-OAHLLOKOSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001407375983 925474937 /nfs/dbraw/zinc/47/49/37/925474937.db2.gz BUZXQAQFHYKKHJ-OCCSQVGLSA-N 1 1 311.386 -1.008 20 0 DAADMO CC(C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001407375394 925474980 /nfs/dbraw/zinc/47/49/80/925474980.db2.gz RKNZXKNKAGWPJC-CQSZACIVSA-N 1 1 310.354 -1.090 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)cc1=O ZINC001407374564 925475125 /nfs/dbraw/zinc/47/51/25/925475125.db2.gz JWBYIINVSZVCEC-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001407374564 925475129 /nfs/dbraw/zinc/47/51/29/925475129.db2.gz JWBYIINVSZVCEC-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO C[C@]1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377582 925475143 /nfs/dbraw/zinc/47/51/43/925475143.db2.gz YINDJVCIVSMYPD-UONOGXRCSA-N 1 1 312.370 -2.059 20 0 DAADMO C[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CCC(=O)NC1 ZINC001407377582 925475147 /nfs/dbraw/zinc/47/51/47/925475147.db2.gz YINDJVCIVSMYPD-UONOGXRCSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375074 925475196 /nfs/dbraw/zinc/47/51/96/925475196.db2.gz XAPOZBYJNFJDIT-UFBFGSQYSA-N 1 1 311.346 -2.359 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407375074 925475199 /nfs/dbraw/zinc/47/51/99/925475199.db2.gz XAPOZBYJNFJDIT-UFBFGSQYSA-N 1 1 311.346 -2.359 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@H]1CCc2nncn2C1 ZINC001407382339 925476017 /nfs/dbraw/zinc/47/60/17/925476017.db2.gz VWJOYBLPVILARU-WFASDCNBSA-N 1 1 323.397 -1.224 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001407382028 925476170 /nfs/dbraw/zinc/47/61/70/925476170.db2.gz MKFIPGSXTTUTIB-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001407382028 925476175 /nfs/dbraw/zinc/47/61/75/925476175.db2.gz MKFIPGSXTTUTIB-CQSZACIVSA-N 1 1 324.385 -1.242 20 0 DAADMO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001407382373 925476769 /nfs/dbraw/zinc/47/67/69/925476769.db2.gz GYOUACALUSUEPP-SWLSCSKDSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407385349 925477072 /nfs/dbraw/zinc/47/70/72/925477072.db2.gz YQTNETVMSWKQPI-OTYXRUKQSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)n1 ZINC001407385349 925477080 /nfs/dbraw/zinc/47/70/80/925477080.db2.gz YQTNETVMSWKQPI-OTYXRUKQSA-N 1 1 307.354 -1.175 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)[C@@H]1CCc2nncn2C1 ZINC001407382326 925477148 /nfs/dbraw/zinc/47/71/48/925477148.db2.gz VWJOYBLPVILARU-DOMZBBRYSA-N 1 1 323.397 -1.224 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001407388245 925477740 /nfs/dbraw/zinc/47/77/40/925477740.db2.gz KSPWMSNGCZFTOG-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCC3)C1 ZINC001407388245 925477747 /nfs/dbraw/zinc/47/77/47/925477747.db2.gz KSPWMSNGCZFTOG-CQSZACIVSA-N 1 1 307.354 -1.519 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001407391290 925478785 /nfs/dbraw/zinc/47/87/85/925478785.db2.gz OSDYRLIWNZQNBL-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001407391290 925478788 /nfs/dbraw/zinc/47/87/88/925478788.db2.gz OSDYRLIWNZQNBL-OAHLLOKOSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001407396522 925479823 /nfs/dbraw/zinc/47/98/23/925479823.db2.gz GIZBUKAWDBLIDS-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001407396522 925479827 /nfs/dbraw/zinc/47/98/27/925479827.db2.gz GIZBUKAWDBLIDS-ZDUSSCGKSA-N 1 1 323.397 -1.586 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407398325 925480510 /nfs/dbraw/zinc/48/05/10/925480510.db2.gz MTMFXLIPIVYZGI-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1nncc1CN1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407398325 925480516 /nfs/dbraw/zinc/48/05/16/925480516.db2.gz MTMFXLIPIVYZGI-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCC1(O)CN(CCCO)C1 ZINC001407435479 925491625 /nfs/dbraw/zinc/49/16/25/925491625.db2.gz RUXBWIHSSZOUAV-UHFFFAOYSA-N 1 1 301.387 -1.746 20 0 DAADMO C[NH+](C)[C@@H](C(=O)NCC1(O)CN(CC(N)=O)C1)c1ccccc1 ZINC001407477123 925498372 /nfs/dbraw/zinc/49/83/72/925498372.db2.gz OMERVMPTJGATLZ-CQSZACIVSA-N 1 1 320.393 -1.063 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CNC(N)=O)C2)CC[N@H+]1C ZINC001407503804 925502821 /nfs/dbraw/zinc/50/28/21/925502821.db2.gz ZDAKVLGKEFPGEZ-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001407527096 925504051 /nfs/dbraw/zinc/50/40/51/925504051.db2.gz UCALJYFWTDHHIC-DGCLKSJQSA-N 1 1 322.413 -1.182 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001407564209 925505201 /nfs/dbraw/zinc/50/52/01/925505201.db2.gz ZLKPZWPESZMCMH-TUAOUCFPSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001407573001 925505396 /nfs/dbraw/zinc/50/53/96/925505396.db2.gz VOLQGRIRPQPHJF-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2C1 ZINC001407563993 925506153 /nfs/dbraw/zinc/50/61/53/925506153.db2.gz PEZWYBBGTCEWFY-UTUOFQBUSA-N 1 1 310.398 -1.024 20 0 DAADMO C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1)NC(N)=O ZINC001407551408 925506256 /nfs/dbraw/zinc/50/62/56/925506256.db2.gz GNKFDZOWAMHHMN-YFKTTZPYSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1)NC(N)=O ZINC001407562272 925506322 /nfs/dbraw/zinc/50/63/22/925506322.db2.gz QOSXPMYBNHUSOK-DBIOUOCHSA-N 1 1 311.386 -1.303 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C1 ZINC001407549397 925506906 /nfs/dbraw/zinc/50/69/06/925506906.db2.gz ILOARZNCWMZUJO-HLTSFMKQSA-N 1 1 321.341 -1.608 20 0 DAADMO CC[C@H]([NH2+]C1CCN(CCNC(=O)c2cnn[nH]2)CC1)C(N)=O ZINC001407585430 925507571 /nfs/dbraw/zinc/50/75/71/925507571.db2.gz BKHXTXYKYGZWNN-NSHDSACASA-N 1 1 323.401 -1.148 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001407597260 925508020 /nfs/dbraw/zinc/50/80/20/925508020.db2.gz UUPGUGAYAOONLY-PHIMTYICSA-N 1 1 305.400 -1.740 20 0 DAADMO Cc1nnc(CC(=O)N[C@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)[nH]1 ZINC001407596193 925508645 /nfs/dbraw/zinc/50/86/45/925508645.db2.gz CNPGTYBSIGKURB-QMTHXVAHSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@@H+](C[C@@H](C)O)C2)n[nH]1 ZINC001407596193 925508649 /nfs/dbraw/zinc/50/86/49/925508649.db2.gz CNPGTYBSIGKURB-QMTHXVAHSA-N 1 1 311.386 -1.020 20 0 DAADMO Cc1nc(CC(=O)N[C@]2(CO)CCC[N@H+](C[C@@H](C)O)C2)n[nH]1 ZINC001407596193 925508654 /nfs/dbraw/zinc/50/86/54/925508654.db2.gz CNPGTYBSIGKURB-QMTHXVAHSA-N 1 1 311.386 -1.020 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1COC(=O)N1 ZINC001407605757 925509358 /nfs/dbraw/zinc/50/93/58/925509358.db2.gz HSTWHGLJKXUUKK-MFKMUULPSA-N 1 1 301.343 -1.580 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407617071 925510224 /nfs/dbraw/zinc/51/02/24/925510224.db2.gz JRWGHTUBLPIXHY-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001407636821 925511665 /nfs/dbraw/zinc/51/16/65/925511665.db2.gz FXJZXQLGJWARKE-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629662 925512108 /nfs/dbraw/zinc/51/21/08/925512108.db2.gz ABNHIPOCDBIJCC-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629662 925512114 /nfs/dbraw/zinc/51/21/14/925512114.db2.gz ABNHIPOCDBIJCC-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629666 925512306 /nfs/dbraw/zinc/51/23/06/925512306.db2.gz ABNHIPOCDBIJCC-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)NC(N)=O ZINC001407629666 925512312 /nfs/dbraw/zinc/51/23/12/925512312.db2.gz ABNHIPOCDBIJCC-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629706 925512637 /nfs/dbraw/zinc/51/26/37/925512637.db2.gz AEVKYSLNMJFPHW-NXEZZACHSA-N 1 1 321.341 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cn[nH]n1 ZINC001407629706 925512642 /nfs/dbraw/zinc/51/26/42/925512642.db2.gz AEVKYSLNMJFPHW-NXEZZACHSA-N 1 1 321.341 -1.322 20 0 DAADMO O=C(N[C@]1(CO)CCC[N@H+](CCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001407632358 925512752 /nfs/dbraw/zinc/51/27/52/925512752.db2.gz BHWWNNLBDLUPLE-IUODEOHRSA-N 1 1 313.398 -1.162 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+][C@@H](C)c1nncn1C ZINC001407648762 925513505 /nfs/dbraw/zinc/51/35/05/925513505.db2.gz FNIQQMXJSDXYRB-JTQLQIEISA-N 1 1 312.374 -1.577 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)CCNC(N)=O)C1 ZINC001407647620 925514045 /nfs/dbraw/zinc/51/40/45/925514045.db2.gz XUGWFNVNEKJOMG-GWCFXTLKSA-N 1 1 302.375 -1.631 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CC[NH2+][C@H](C)c1nncn1C ZINC001407648779 925514116 /nfs/dbraw/zinc/51/41/16/925514116.db2.gz FNIQQMXJSDXYRB-SNVBAGLBSA-N 1 1 312.374 -1.577 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001407646974 925515013 /nfs/dbraw/zinc/51/50/13/925515013.db2.gz BLQMCYNULVVITM-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001407646974 925515016 /nfs/dbraw/zinc/51/50/16/925515016.db2.gz BLQMCYNULVVITM-NWDGAFQWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)c1nc[nH]n1)c1nncn1C ZINC001407667089 925516118 /nfs/dbraw/zinc/51/61/18/925516118.db2.gz UTWPOCIJVAIRQF-VIFPVBQESA-N 1 1 308.346 -1.282 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)c1ccn(C)n1)c1nnnn1C ZINC001407662457 925516799 /nfs/dbraw/zinc/51/67/99/925516799.db2.gz BNOFZGHJKHSSSV-SNVBAGLBSA-N 1 1 322.373 -1.271 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001407697444 925520038 /nfs/dbraw/zinc/52/00/38/925520038.db2.gz RXIUFEOUYQLWRP-SNVBAGLBSA-N 1 1 322.373 -1.353 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCOC1 ZINC001407745847 925521876 /nfs/dbraw/zinc/52/18/76/925521876.db2.gz XGFLFJOQKSMAJV-NWDGAFQWSA-N 1 1 314.386 -1.231 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCOC1 ZINC001407745847 925521881 /nfs/dbraw/zinc/52/18/81/925521881.db2.gz XGFLFJOQKSMAJV-NWDGAFQWSA-N 1 1 314.386 -1.231 20 0 DAADMO CCNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001407760592 925523623 /nfs/dbraw/zinc/52/36/23/925523623.db2.gz FAQDAVZBCPJANI-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001407833518 925528957 /nfs/dbraw/zinc/52/89/57/925528957.db2.gz KCFVMZKGPKWGRP-MGCOHNPYSA-N 1 1 309.374 -1.071 20 0 DAADMO CC(=O)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407831904 925528966 /nfs/dbraw/zinc/52/89/66/925528966.db2.gz JXBWXRVSTVDOIY-LBPRGKRZSA-N 1 1 324.385 -1.092 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407841718 925529585 /nfs/dbraw/zinc/52/95/85/925529585.db2.gz VYJZNBHYHMETSU-CABZTGNLSA-N 1 1 324.385 -1.045 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001407849444 925529706 /nfs/dbraw/zinc/52/97/06/925529706.db2.gz JRNBQTWNGOIWRK-MNOVXSKESA-N 1 1 324.385 -1.356 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001407853017 925530079 /nfs/dbraw/zinc/53/00/79/925530079.db2.gz MZOBKCLMJYXVPI-WDEREUQCSA-N 1 1 313.358 -1.449 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001407841716 925530585 /nfs/dbraw/zinc/53/05/85/925530585.db2.gz VYJZNBHYHMETSU-BXKDBHETSA-N 1 1 324.385 -1.045 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001407849453 925530885 /nfs/dbraw/zinc/53/08/85/925530885.db2.gz JRNBQTWNGOIWRK-QWRGUYRKSA-N 1 1 324.385 -1.356 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1 ZINC001407882029 925534254 /nfs/dbraw/zinc/53/42/54/925534254.db2.gz YBBWTVRZFBZWED-NSHDSACASA-N 1 1 310.358 -1.700 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1 ZINC001407882029 925534261 /nfs/dbraw/zinc/53/42/61/925534261.db2.gz YBBWTVRZFBZWED-NSHDSACASA-N 1 1 310.358 -1.700 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001407954978 925535162 /nfs/dbraw/zinc/53/51/62/925535162.db2.gz QPBWGAKUNJIXIG-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001407912976 925535318 /nfs/dbraw/zinc/53/53/18/925535318.db2.gz CPGQHZYOHPHMSM-VHSXEESVSA-N 1 1 300.359 -1.715 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)c1nnn(C)n1 ZINC001407919313 925535368 /nfs/dbraw/zinc/53/53/68/925535368.db2.gz KSPPAOTZALPKBZ-UHFFFAOYSA-N 1 1 312.334 -2.201 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001407932455 925535832 /nfs/dbraw/zinc/53/58/32/925535832.db2.gz WZLLPTRSLXEHCU-QWRGUYRKSA-N 1 1 302.375 -1.545 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001407912154 925536087 /nfs/dbraw/zinc/53/60/87/925536087.db2.gz AKSJSFPXJBSPKT-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CNS(=O)(=O)NC)O2 ZINC001407971275 925538010 /nfs/dbraw/zinc/53/80/10/925538010.db2.gz HYXGFONJSHNZIB-SNVBAGLBSA-N 1 1 320.415 -1.590 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001407998099 925539612 /nfs/dbraw/zinc/53/96/12/925539612.db2.gz AXYNMXRDBUKWAV-XZUYRWCXSA-N 1 1 323.397 -1.288 20 0 DAADMO NC(=O)CN[C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001408031057 925541833 /nfs/dbraw/zinc/54/18/33/925541833.db2.gz VAXFCGDDHNRTJS-OAHLLOKOSA-N 1 1 310.398 -1.489 20 0 DAADMO CNC(=O)CN[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001408047307 925542577 /nfs/dbraw/zinc/54/25/77/925542577.db2.gz ILWGKWXBGYMPII-AWEZNQCLSA-N 1 1 300.403 -1.373 20 0 DAADMO C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001408092971 925545963 /nfs/dbraw/zinc/54/59/63/925545963.db2.gz CVHFIUNGHKGRSR-BDAKNGLRSA-N 1 1 310.362 -1.795 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001408103198 925547880 /nfs/dbraw/zinc/54/78/80/925547880.db2.gz IITJQIZTBKXESB-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CCn1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001408103198 925547887 /nfs/dbraw/zinc/54/78/87/925547887.db2.gz IITJQIZTBKXESB-ZYHUDNBSSA-N 1 1 324.385 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131272 925549507 /nfs/dbraw/zinc/54/95/07/925549507.db2.gz FRIGBFDGLXIXBG-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cnnn2C)C1 ZINC001408131272 925549513 /nfs/dbraw/zinc/54/95/13/925549513.db2.gz FRIGBFDGLXIXBG-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)CN1CN=NC1=O ZINC001408134248 925549982 /nfs/dbraw/zinc/54/99/82/925549982.db2.gz ZNOGIQLNTWTFKB-VHSXEESVSA-N 1 1 310.358 -1.301 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001408163630 925553193 /nfs/dbraw/zinc/55/31/93/925553193.db2.gz AWOYJKUJPDBYEI-SECBINFHSA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@@H+]1CC(N)=O ZINC001408155520 925553430 /nfs/dbraw/zinc/55/34/30/925553430.db2.gz GUOVFIOKPJAKNR-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CC(N)=O ZINC001408155520 925553435 /nfs/dbraw/zinc/55/34/35/925553435.db2.gz GUOVFIOKPJAKNR-QWRGUYRKSA-N 1 1 324.385 -1.574 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408193422 925554269 /nfs/dbraw/zinc/55/42/69/925554269.db2.gz FACPEQXMDPMNAF-NXEZZACHSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408193422 925554274 /nfs/dbraw/zinc/55/42/74/925554274.db2.gz FACPEQXMDPMNAF-NXEZZACHSA-N 1 1 315.374 -2.133 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cn(C)c(=O)cn1 ZINC001408186842 925555428 /nfs/dbraw/zinc/55/54/28/925555428.db2.gz XMESXRFPDGASMS-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233863 925557923 /nfs/dbraw/zinc/55/79/23/925557923.db2.gz JFPYTWRKIPTRMM-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233863 925557928 /nfs/dbraw/zinc/55/79/28/925557928.db2.gz JFPYTWRKIPTRMM-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO Cc1noc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001408226517 925558196 /nfs/dbraw/zinc/55/81/96/925558196.db2.gz JELXAHBKJXNZDY-CBAPKCEASA-N 1 1 324.341 -1.039 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233871 925558640 /nfs/dbraw/zinc/55/86/40/925558640.db2.gz JFPYTWRKIPTRMM-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233871 925558652 /nfs/dbraw/zinc/55/86/52/925558652.db2.gz JFPYTWRKIPTRMM-PWSUYJOCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233873 925558797 /nfs/dbraw/zinc/55/87/97/925558797.db2.gz JFPYTWRKIPTRMM-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CNC(=O)c2cnn(C)n2)C1 ZINC001408233873 925558805 /nfs/dbraw/zinc/55/88/05/925558805.db2.gz JFPYTWRKIPTRMM-ZYHUDNBSSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)c2cncnc2)CC1 ZINC001408264632 925559616 /nfs/dbraw/zinc/55/96/16/925559616.db2.gz GLTLMDNJCMZMHD-UHFFFAOYSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(NC1(CO)CC[NH+](CCCO)CC1)C1CS(=O)(=O)C1 ZINC001408264719 925559709 /nfs/dbraw/zinc/55/97/09/925559709.db2.gz ARUBTYMCGXSZOA-UHFFFAOYSA-N 1 1 320.411 -1.644 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001408263464 925559953 /nfs/dbraw/zinc/55/99/53/925559953.db2.gz HXTPRHFPYWXRSQ-GHMZBOCLSA-N 1 1 324.381 -1.903 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001408278263 925562107 /nfs/dbraw/zinc/56/21/07/925562107.db2.gz WFFBYJRYZOKHMI-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001408320906 925564611 /nfs/dbraw/zinc/56/46/11/925564611.db2.gz BBEGQHCOIFZSHK-VIFPVBQESA-N 1 1 321.403 -2.552 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001408320906 925564615 /nfs/dbraw/zinc/56/46/15/925564615.db2.gz BBEGQHCOIFZSHK-VIFPVBQESA-N 1 1 321.403 -2.552 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCO)c(=O)n1C ZINC001408332284 925564634 /nfs/dbraw/zinc/56/46/34/925564634.db2.gz GVIDDICBSDKEHF-LBPRGKRZSA-N 1 1 311.386 -1.195 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324687 925565327 /nfs/dbraw/zinc/56/53/27/925565327.db2.gz DAKQOSZQBBKWSC-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408324687 925565338 /nfs/dbraw/zinc/56/53/38/925565338.db2.gz DAKQOSZQBBKWSC-QWRGUYRKSA-N 1 1 324.385 -1.622 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344896 925566488 /nfs/dbraw/zinc/56/64/88/925566488.db2.gz RESUYUZVTYIFDY-NWDGAFQWSA-N 1 1 321.385 -1.118 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408350756 925566672 /nfs/dbraw/zinc/56/66/72/925566672.db2.gz ZBJCJULPKNMTJJ-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344841 925566871 /nfs/dbraw/zinc/56/68/71/925566871.db2.gz QTXVCZYRVWRRCL-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001408344841 925566879 /nfs/dbraw/zinc/56/68/79/925566879.db2.gz QTXVCZYRVWRRCL-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001408350766 925566899 /nfs/dbraw/zinc/56/68/99/925566899.db2.gz ZBJCJULPKNMTJJ-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001408465882 925571163 /nfs/dbraw/zinc/57/11/63/925571163.db2.gz ISTKNYBASQWHLQ-MWLCHTKSSA-N 1 1 322.369 -1.116 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1ccn(C)n1 ZINC001408542603 925575826 /nfs/dbraw/zinc/57/58/26/925575826.db2.gz WFLOVVONPQRRKA-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1ccn(C)n1 ZINC001408542603 925575831 /nfs/dbraw/zinc/57/58/31/925575831.db2.gz WFLOVVONPQRRKA-CYBMUJFWSA-N 1 1 323.397 -1.132 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001408542690 925575950 /nfs/dbraw/zinc/57/59/50/925575950.db2.gz YUEYZNHLQLTKGX-OUAUKWLOSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001408542690 925575956 /nfs/dbraw/zinc/57/59/56/925575956.db2.gz YUEYZNHLQLTKGX-OUAUKWLOSA-N 1 1 312.370 -1.987 20 0 DAADMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001408600601 925581973 /nfs/dbraw/zinc/58/19/73/925581973.db2.gz JIRLHOYXVMZBSV-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cnnn1 ZINC001408726071 925592749 /nfs/dbraw/zinc/59/27/49/925592749.db2.gz VUZFYBBOKUAAEG-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)Cn2ncnn2)C2CC2)C1 ZINC001408916442 925599052 /nfs/dbraw/zinc/59/90/52/925599052.db2.gz ADAYRLFOORBIMQ-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001409029733 925603346 /nfs/dbraw/zinc/60/33/46/925603346.db2.gz KOARDXTVOAXRAW-GFCCVEGCSA-N 1 1 312.370 -1.878 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001409029733 925603347 /nfs/dbraw/zinc/60/33/47/925603347.db2.gz KOARDXTVOAXRAW-GFCCVEGCSA-N 1 1 312.370 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001409040327 925604854 /nfs/dbraw/zinc/60/48/54/925604854.db2.gz FIUZBJLHNTZRCL-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001409040327 925604860 /nfs/dbraw/zinc/60/48/60/925604860.db2.gz FIUZBJLHNTZRCL-GFCCVEGCSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001409040328 925604988 /nfs/dbraw/zinc/60/49/88/925604988.db2.gz FIUZBJLHNTZRCL-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001409040328 925604992 /nfs/dbraw/zinc/60/49/92/925604992.db2.gz FIUZBJLHNTZRCL-LBPRGKRZSA-N 1 1 324.381 -1.830 20 0 DAADMO NC(=O)NCCC(=O)NC1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001409049236 925607501 /nfs/dbraw/zinc/60/75/01/925607501.db2.gz CFUBXUGRLPNVNV-HNNXBMFYSA-N 1 1 323.397 -1.142 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001409078318 925611098 /nfs/dbraw/zinc/61/10/98/925611098.db2.gz JUFKSTNZNYPXJB-LBPRGKRZSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)CCNC(N)=O)C1)C1CCC1 ZINC001409066841 925611201 /nfs/dbraw/zinc/61/12/01/925611201.db2.gz OMSZZPOCWZVVCP-UHFFFAOYSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409082391 925611960 /nfs/dbraw/zinc/61/19/60/925611960.db2.gz WIWMSLFCMZABDI-UWVGGRQHSA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001409092833 925613738 /nfs/dbraw/zinc/61/37/38/925613738.db2.gz LBRRTAZIDJEZMQ-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CCn3cnnn3)C2)CC[N@H+]1C ZINC001409096409 925613798 /nfs/dbraw/zinc/61/37/98/925613798.db2.gz XIVWXAWQGNMUBI-ZYHUDNBSSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001409108543 925615584 /nfs/dbraw/zinc/61/55/84/925615584.db2.gz UXWNSWNDUOFHFM-UHFFFAOYSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001409135566 925618591 /nfs/dbraw/zinc/61/85/91/925618591.db2.gz LLXYTNKROQOOAK-LLVKDONJSA-N 1 1 323.397 -1.144 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001409144109 925620999 /nfs/dbraw/zinc/62/09/99/925620999.db2.gz QFPGFJPADATONP-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnnn1 ZINC001409188141 925624050 /nfs/dbraw/zinc/62/40/50/925624050.db2.gz KJTDCAUVUKSANI-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1cnn(C)c1N ZINC001409336282 925630668 /nfs/dbraw/zinc/63/06/68/925630668.db2.gz ZDAWXDMMYPXMSQ-SFYZADRCSA-N 1 1 307.362 -1.178 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001409352936 925630723 /nfs/dbraw/zinc/63/07/23/925630723.db2.gz JJVOKGCAXIXNGR-NXEZZACHSA-N 1 1 324.389 -1.392 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409373002 925630942 /nfs/dbraw/zinc/63/09/42/925630942.db2.gz OWFBGOYNJRMYFR-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001409370548 925631087 /nfs/dbraw/zinc/63/10/87/925631087.db2.gz MTWYOVCQEDWUOD-GHMZBOCLSA-N 1 1 324.385 -1.343 20 0 DAADMO C[C@H](NC(=O)c1cnn[nH]1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409372954 925631979 /nfs/dbraw/zinc/63/19/79/925631979.db2.gz OWFBGOYNJRMYFR-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)[NH2+]Cc1nncn1C ZINC001409371336 925632138 /nfs/dbraw/zinc/63/21/38/925632138.db2.gz OLDQFJSJCINCEW-NXEZZACHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001409376981 925633349 /nfs/dbraw/zinc/63/33/49/925633349.db2.gz HKVYZKWXCRFDGS-IUCAKERBSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001409376972 925633375 /nfs/dbraw/zinc/63/33/75/925633375.db2.gz HKVYZKWXCRFDGS-DTWKUNHWSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001409376944 925633944 /nfs/dbraw/zinc/63/39/44/925633944.db2.gz HKVYZKWXCRFDGS-BDAKNGLRSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)[NH2+]Cc1cnon1 ZINC001409377127 925634007 /nfs/dbraw/zinc/63/40/07/925634007.db2.gz RJQPBSVJSHJYSX-IUCAKERBSA-N 1 1 319.387 -1.056 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001409552764 925635120 /nfs/dbraw/zinc/63/51/20/925635120.db2.gz FKSPKMZRMHHQHP-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001409552764 925635126 /nfs/dbraw/zinc/63/51/26/925635126.db2.gz FKSPKMZRMHHQHP-SNVBAGLBSA-N 1 1 324.385 -1.145 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n1C)[C@H](C)[NH2+]Cc1nnnn1C ZINC001409480492 925635396 /nfs/dbraw/zinc/63/53/96/925635396.db2.gz XETWJGAUQUJSJA-DTWKUNHWSA-N 1 1 322.373 -1.456 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001409487688 925635773 /nfs/dbraw/zinc/63/57/73/925635773.db2.gz AIEVSUYZEUEHEX-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001409487688 925635776 /nfs/dbraw/zinc/63/57/76/925635776.db2.gz AIEVSUYZEUEHEX-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001409559278 925635849 /nfs/dbraw/zinc/63/58/49/925635849.db2.gz UDJGNURWKYLQEW-JTQLQIEISA-N 1 1 312.374 -1.279 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001409559278 925635856 /nfs/dbraw/zinc/63/58/56/925635856.db2.gz UDJGNURWKYLQEW-JTQLQIEISA-N 1 1 312.374 -1.279 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001409513142 925636156 /nfs/dbraw/zinc/63/61/56/925636156.db2.gz SKGBSPVPRRDXDL-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CNC(C)=O ZINC001409513142 925636161 /nfs/dbraw/zinc/63/61/61/925636161.db2.gz SKGBSPVPRRDXDL-MRVPVSSYSA-N 1 1 301.347 -1.985 20 0 DAADMO C[C@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[N@@H+](C)CCO ZINC001409578564 925637373 /nfs/dbraw/zinc/63/73/73/925637373.db2.gz JPJVNMNWKPEWKJ-MRVPVSSYSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409591166 925637172 /nfs/dbraw/zinc/63/71/72/925637172.db2.gz LTJILQZRFBYJCA-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409586333 925637400 /nfs/dbraw/zinc/63/74/00/925637400.db2.gz AVEDFHUUQMWMER-IUCAKERBSA-N 1 1 321.403 -2.635 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)CC(=O)N(C)C ZINC001409566366 925637458 /nfs/dbraw/zinc/63/74/58/925637458.db2.gz NEHJXOBGRWUXQS-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)CC(=O)N(C)C ZINC001409566366 925637463 /nfs/dbraw/zinc/63/74/63/925637463.db2.gz NEHJXOBGRWUXQS-SNVBAGLBSA-N 1 1 309.370 -1.081 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001409605394 925637555 /nfs/dbraw/zinc/63/75/55/925637555.db2.gz VELLCTHSYPKLGH-WDEREUQCSA-N 1 1 309.374 -1.262 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)[N@@H+](C)CCn1cncn1 ZINC001409605392 925638740 /nfs/dbraw/zinc/63/87/40/925638740.db2.gz VELLCTHSYPKLGH-QWRGUYRKSA-N 1 1 309.374 -1.262 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001409618497 925639296 /nfs/dbraw/zinc/63/92/96/925639296.db2.gz OTSOEMQBHKHAJH-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001409618497 925639303 /nfs/dbraw/zinc/63/93/03/925639303.db2.gz OTSOEMQBHKHAJH-KXUCPTDWSA-N 1 1 300.359 -1.798 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001409627434 925640112 /nfs/dbraw/zinc/64/01/12/925640112.db2.gz NQIGXSOBNCECCF-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001409627434 925640120 /nfs/dbraw/zinc/64/01/20/925640120.db2.gz NQIGXSOBNCECCF-SECBINFHSA-N 1 1 308.404 -1.762 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)cn2n1 ZINC001409623576 925640158 /nfs/dbraw/zinc/64/01/58/925640158.db2.gz MPTLITHRWXNEPX-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cc2[nH]c(=O)c(C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)cn2n1 ZINC001409623576 925640168 /nfs/dbraw/zinc/64/01/68/925640168.db2.gz MPTLITHRWXNEPX-SECBINFHSA-N 1 1 320.353 -1.134 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001409609093 925640262 /nfs/dbraw/zinc/64/02/62/925640262.db2.gz LBMCXCBMTFEREC-SVDPJWKOSA-N 1 1 312.370 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001409609093 925640270 /nfs/dbraw/zinc/64/02/70/925640270.db2.gz LBMCXCBMTFEREC-SVDPJWKOSA-N 1 1 312.370 -1.229 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001409615946 925640960 /nfs/dbraw/zinc/64/09/60/925640960.db2.gz GGKLHWTWEIBRJW-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001409615946 925640968 /nfs/dbraw/zinc/64/09/68/925640968.db2.gz GGKLHWTWEIBRJW-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@H+](C)CCNS(C)(=O)=O ZINC001409616401 925641029 /nfs/dbraw/zinc/64/10/29/925641029.db2.gz DBBBYJHFAALNJJ-IUCAKERBSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[N@@H+](C)CCNS(C)(=O)=O ZINC001409616401 925641037 /nfs/dbraw/zinc/64/10/37/925641037.db2.gz DBBBYJHFAALNJJ-IUCAKERBSA-N 1 1 321.403 -2.347 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[N@H+](C)CC(=O)N(C)C ZINC001409630792 925641056 /nfs/dbraw/zinc/64/10/56/925641056.db2.gz QKCVDXZTGFGHIN-JTQLQIEISA-N 1 1 322.431 -1.420 20 0 DAADMO C[C@@H](CNC(=O)CCCS(N)(=O)=O)[N@@H+](C)CC(=O)N(C)C ZINC001409630792 925641062 /nfs/dbraw/zinc/64/10/62/925641062.db2.gz QKCVDXZTGFGHIN-JTQLQIEISA-N 1 1 322.431 -1.420 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c(=O)n1C ZINC001409650429 925641999 /nfs/dbraw/zinc/64/19/99/925641999.db2.gz ZVROTVLTCOOAJJ-GXSJLCMTSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001409652087 925642608 /nfs/dbraw/zinc/64/26/08/925642608.db2.gz OOZCDYOTORPRDG-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001409652087 925642612 /nfs/dbraw/zinc/64/26/12/925642612.db2.gz OOZCDYOTORPRDG-SECBINFHSA-N 1 1 311.346 -1.830 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001409708011 925645131 /nfs/dbraw/zinc/64/51/31/925645131.db2.gz CNDAAAIOAJKFBC-SECBINFHSA-N 1 1 320.357 -1.103 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001409703929 925646164 /nfs/dbraw/zinc/64/61/64/925646164.db2.gz WGTPTSMFBQNVAH-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)COC)C1 ZINC001409832298 925652437 /nfs/dbraw/zinc/65/24/37/925652437.db2.gz FCJHHEXELNACEN-RKDXNWHRSA-N 1 1 300.359 -1.087 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC1(CCO)CN([C@@H](C)C(N)=O)C1 ZINC001409751863 925652890 /nfs/dbraw/zinc/65/28/90/925652890.db2.gz RNZFJRQYFHTPLF-NSHDSACASA-N 1 1 300.403 -1.245 20 0 DAADMO C[C@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001409940020 925656663 /nfs/dbraw/zinc/65/66/63/925656663.db2.gz YOEWQHKASIUSHY-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001409922115 925656827 /nfs/dbraw/zinc/65/68/27/925656827.db2.gz PBOCKDZGERXXMX-IUCAKERBSA-N 1 1 323.353 -1.741 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409934912 925656991 /nfs/dbraw/zinc/65/69/91/925656991.db2.gz VQXYLJCULIMXOH-SKDRFNHKSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409934877 925657293 /nfs/dbraw/zinc/65/72/93/925657293.db2.gz VQXYLJCULIMXOH-JOYOIKCWSA-N 1 1 323.397 -1.370 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCNC(=O)C2CC2)C1 ZINC001409934853 925657448 /nfs/dbraw/zinc/65/74/48/925657448.db2.gz VQXYLJCULIMXOH-CABZTGNLSA-N 1 1 323.397 -1.370 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001409989131 925660186 /nfs/dbraw/zinc/66/01/86/925660186.db2.gz AHVOPDSKCIGFQT-UHFFFAOYSA-N 1 1 320.357 -1.054 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001409989428 925660798 /nfs/dbraw/zinc/66/07/98/925660798.db2.gz ASFRJNBBZYQYOK-LLVKDONJSA-N 1 1 309.374 -1.458 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001410017936 925662301 /nfs/dbraw/zinc/66/23/01/925662301.db2.gz AKHHZNYXVLRMAV-CNDDSTCGSA-N 1 1 314.353 -1.043 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001410017936 925662309 /nfs/dbraw/zinc/66/23/09/925662309.db2.gz AKHHZNYXVLRMAV-CNDDSTCGSA-N 1 1 314.353 -1.043 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001410042459 925664131 /nfs/dbraw/zinc/66/41/31/925664131.db2.gz AXOULBUTENKTLA-YFKTTZPYSA-N 1 1 324.381 -1.133 20 0 DAADMO CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001410045661 925665714 /nfs/dbraw/zinc/66/57/14/925665714.db2.gz LVZGCZYGGLOOPN-XWLWVQCSSA-N 1 1 312.370 -1.100 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001410047255 925665753 /nfs/dbraw/zinc/66/57/53/925665753.db2.gz COEJFGCYWLPPOJ-RTCCRHLQSA-N 1 1 306.370 -1.141 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056092 925666883 /nfs/dbraw/zinc/66/68/83/925666883.db2.gz QOHIELWEPKYIDI-WCQYABFASA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056092 925666888 /nfs/dbraw/zinc/66/68/88/925666888.db2.gz QOHIELWEPKYIDI-WCQYABFASA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056002 925667627 /nfs/dbraw/zinc/66/76/27/925667627.db2.gz QOHIELWEPKYIDI-AAEUAGOBSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001410056002 925667633 /nfs/dbraw/zinc/66/76/33/925667633.db2.gz QOHIELWEPKYIDI-AAEUAGOBSA-N 1 1 324.381 -1.058 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCOCC3)[C@@H]2C1 ZINC001410064411 925668645 /nfs/dbraw/zinc/66/86/45/925668645.db2.gz JMIQZKKURXNAGP-XDQVBPFNSA-N 1 1 324.425 -1.253 20 0 DAADMO COCCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410067397 925670001 /nfs/dbraw/zinc/67/00/01/925670001.db2.gz VQLJECVLVFZMMX-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO COCCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410067373 925670013 /nfs/dbraw/zinc/67/00/13/925670013.db2.gz VQLJECVLVFZMMX-GRYCIOLGSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069081 925670138 /nfs/dbraw/zinc/67/01/38/925670138.db2.gz DAVOKZURRNYLJE-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)CCC(F)F)C1 ZINC001410069081 925670143 /nfs/dbraw/zinc/67/01/43/925670143.db2.gz DAVOKZURRNYLJE-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1nccc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410066498 925670317 /nfs/dbraw/zinc/67/03/17/925670317.db2.gz BQFCKXZNKYVTPA-WDEREUQCSA-N 1 1 309.370 -1.279 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001410072445 925672540 /nfs/dbraw/zinc/67/25/40/925672540.db2.gz KKEWGDBAEBBHES-CNDDSTCGSA-N 1 1 323.397 -1.512 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CCNC(N)=O ZINC001410088715 925676500 /nfs/dbraw/zinc/67/65/00/925676500.db2.gz MVJPRANIAAKJFO-ZJUUUORDSA-N 1 1 315.374 -2.268 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1cncnc1 ZINC001410087029 925676585 /nfs/dbraw/zinc/67/65/85/925676585.db2.gz LLXXHYRZWXYEDE-QWHCGFSZSA-N 1 1 321.381 -1.293 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001410094519 925678203 /nfs/dbraw/zinc/67/82/03/925678203.db2.gz SZTDYESHIICQPY-QWRGUYRKSA-N 1 1 309.370 -1.360 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001410105384 925682826 /nfs/dbraw/zinc/68/28/26/925682826.db2.gz PFWQNSGXRCQWIS-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001410105934 925683118 /nfs/dbraw/zinc/68/31/18/925683118.db2.gz DJCCBJLJDYGHPD-SNVBAGLBSA-N 1 1 321.341 -1.854 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001410108885 925684434 /nfs/dbraw/zinc/68/44/34/925684434.db2.gz QJCAPBYAPWQNIH-NWDGAFQWSA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001410118580 925686357 /nfs/dbraw/zinc/68/63/57/925686357.db2.gz OLVFUSGIXMILLS-NXEZZACHSA-N 1 1 316.358 -1.972 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001410121775 925688180 /nfs/dbraw/zinc/68/81/80/925688180.db2.gz CMUZUEGSUCGAIJ-QWRGUYRKSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001410118850 925688501 /nfs/dbraw/zinc/68/85/01/925688501.db2.gz FGFVJWHXXMRSAL-MXWKQRLJSA-N 1 1 323.353 -2.094 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001410119556 925688725 /nfs/dbraw/zinc/68/87/25/925688725.db2.gz DYGSQASBQNSXRG-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119556 925688734 /nfs/dbraw/zinc/68/87/34/925688734.db2.gz DYGSQASBQNSXRG-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119556 925688744 /nfs/dbraw/zinc/68/87/44/925688744.db2.gz DYGSQASBQNSXRG-ZYHUDNBSSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001410119542 925689156 /nfs/dbraw/zinc/68/91/56/925689156.db2.gz DYGSQASBQNSXRG-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119542 925689161 /nfs/dbraw/zinc/68/91/61/925689161.db2.gz DYGSQASBQNSXRG-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001410119542 925689170 /nfs/dbraw/zinc/68/91/70/925689170.db2.gz DYGSQASBQNSXRG-CMPLNLGQSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCNC(N)=O)[C@@H]3C2)nn1 ZINC001410128438 925690218 /nfs/dbraw/zinc/69/02/18/925690218.db2.gz VEXGTECPMLPLNX-CNDDSTCGSA-N 1 1 321.385 -1.333 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCNC(N)=O)[C@@H]3C2)nn1 ZINC001410128438 925690226 /nfs/dbraw/zinc/69/02/26/925690226.db2.gz VEXGTECPMLPLNX-CNDDSTCGSA-N 1 1 321.385 -1.333 20 0 DAADMO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC001410130298 925690921 /nfs/dbraw/zinc/69/09/21/925690921.db2.gz ZSMLYPQTRVBDMF-ZSOGYDGISA-N 1 1 324.425 -1.299 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410133122 925691888 /nfs/dbraw/zinc/69/18/88/925691888.db2.gz PIDCPAJFHAKRFY-NXEZZACHSA-N 1 1 315.374 -2.399 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410133135 925692344 /nfs/dbraw/zinc/69/23/44/925692344.db2.gz PIDCPAJFHAKRFY-VHSXEESVSA-N 1 1 315.374 -2.399 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001410140950 925693674 /nfs/dbraw/zinc/69/36/74/925693674.db2.gz UAAQPSLSJCMXKF-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140950 925693680 /nfs/dbraw/zinc/69/36/80/925693680.db2.gz UAAQPSLSJCMXKF-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001410140950 925693687 /nfs/dbraw/zinc/69/36/87/925693687.db2.gz UAAQPSLSJCMXKF-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140950 925693697 /nfs/dbraw/zinc/69/36/97/925693697.db2.gz UAAQPSLSJCMXKF-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001410140950 925693706 /nfs/dbraw/zinc/69/37/06/925693706.db2.gz UAAQPSLSJCMXKF-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001410146406 925693884 /nfs/dbraw/zinc/69/38/84/925693884.db2.gz IBLZZCDNUCXXBO-GHMZBOCLSA-N 1 1 324.385 -1.311 20 0 DAADMO CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cc1nnc[nH]1)[NH+](C)C ZINC001410145792 925693945 /nfs/dbraw/zinc/69/39/45/925693945.db2.gz NNSOZWZAQIXRJM-ZJUUUORDSA-N 1 1 312.374 -1.719 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001410176023 925699256 /nfs/dbraw/zinc/69/92/56/925699256.db2.gz MHKOBWRJVIMGBR-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CS(C)(=O)=O ZINC001410176023 925699260 /nfs/dbraw/zinc/69/92/60/925699260.db2.gz MHKOBWRJVIMGBR-NXEZZACHSA-N 1 1 321.399 -2.018 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001410169107 925699541 /nfs/dbraw/zinc/69/95/41/925699541.db2.gz FRRJVVQMBVJNNS-FIQHERPVSA-N 1 1 310.398 -1.059 20 0 DAADMO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)N1CCOCC1 ZINC001410220406 925702503 /nfs/dbraw/zinc/70/25/03/925702503.db2.gz OWYLBCXAKDKWOA-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)N1CCOCC1 ZINC001410220406 925702511 /nfs/dbraw/zinc/70/25/11/925702511.db2.gz OWYLBCXAKDKWOA-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)CN1CN=NC1=O ZINC001410246095 925705455 /nfs/dbraw/zinc/70/54/55/925705455.db2.gz IALOOSAEECUENM-SECBINFHSA-N 1 1 321.341 -1.190 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001410262479 925705583 /nfs/dbraw/zinc/70/55/83/925705583.db2.gz YNTHDRHASLBNRH-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001410260343 925705934 /nfs/dbraw/zinc/70/59/34/925705934.db2.gz PPUJGWRDPKPYGH-LBPRGKRZSA-N 1 1 319.427 -1.017 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001410263902 925706226 /nfs/dbraw/zinc/70/62/26/925706226.db2.gz HYFZULFPZSEPOJ-MRVPVSSYSA-N 1 1 306.330 -1.350 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001410253214 925706419 /nfs/dbraw/zinc/70/64/19/925706419.db2.gz VCVHOEAOHVIUPQ-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001410251991 925706465 /nfs/dbraw/zinc/70/64/65/925706465.db2.gz NCNNMAUTZBQNBC-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410331673 925710374 /nfs/dbraw/zinc/71/03/74/925710374.db2.gz IULAOSCZRJQDBY-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410331673 925710384 /nfs/dbraw/zinc/71/03/84/925710384.db2.gz IULAOSCZRJQDBY-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001410333654 925710736 /nfs/dbraw/zinc/71/07/36/925710736.db2.gz OWGDUXLHMYDQEX-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001410333654 925710742 /nfs/dbraw/zinc/71/07/42/925710742.db2.gz OWGDUXLHMYDQEX-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410330697 925711911 /nfs/dbraw/zinc/71/19/11/925711911.db2.gz GECIYGZHCJTWQS-ONGXEEELSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410330697 925711917 /nfs/dbraw/zinc/71/19/17/925711917.db2.gz GECIYGZHCJTWQS-ONGXEEELSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001410336221 925712045 /nfs/dbraw/zinc/71/20/45/925712045.db2.gz WYNBDFGSPMIBCR-DCAQKATOSA-N 1 1 312.370 -1.784 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001410336221 925712060 /nfs/dbraw/zinc/71/20/60/925712060.db2.gz WYNBDFGSPMIBCR-DCAQKATOSA-N 1 1 312.370 -1.784 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)CCNC(N)=O ZINC001410365223 925713339 /nfs/dbraw/zinc/71/33/39/925713339.db2.gz WLEIDFOWILBOEM-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410374781 925715048 /nfs/dbraw/zinc/71/50/48/925715048.db2.gz UDAQGGSTGQNQJV-WPRPVWTQSA-N 1 1 308.342 -1.506 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001410415017 925716519 /nfs/dbraw/zinc/71/65/19/925716519.db2.gz YNTHDRHASLBNRH-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001410439429 925717945 /nfs/dbraw/zinc/71/79/45/925717945.db2.gz ORQPPAJZZURBHM-ZJUUUORDSA-N 1 1 309.374 -1.084 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001410439408 925718078 /nfs/dbraw/zinc/71/80/78/925718078.db2.gz ORQPPAJZZURBHM-UWVGGRQHSA-N 1 1 309.374 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001410423063 925718122 /nfs/dbraw/zinc/71/81/22/925718122.db2.gz ZQXKPYRKEZZCCP-WPRPVWTQSA-N 1 1 309.326 -1.079 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1ncnn1C ZINC001410450473 925719950 /nfs/dbraw/zinc/71/99/50/925719950.db2.gz VVTZXRQFQQNXSZ-UWVGGRQHSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1nnnn1C ZINC001410445940 925720086 /nfs/dbraw/zinc/72/00/86/925720086.db2.gz WSSHBLFDPZQRNG-MRVPVSSYSA-N 1 1 320.357 -1.113 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001410460795 925720360 /nfs/dbraw/zinc/72/03/60/925720360.db2.gz QNZYHWBQINEKMS-WCBMZHEXSA-N 1 1 308.342 -1.506 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001410460801 925720906 /nfs/dbraw/zinc/72/09/06/925720906.db2.gz QNZYHWBQINEKMS-WPRPVWTQSA-N 1 1 308.342 -1.506 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001410477284 925722041 /nfs/dbraw/zinc/72/20/41/925722041.db2.gz CNPBHWKWNBTDAR-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cn1cncn1 ZINC001410477284 925722048 /nfs/dbraw/zinc/72/20/48/925722048.db2.gz CNPBHWKWNBTDAR-WDEREUQCSA-N 1 1 310.358 -1.770 20 0 DAADMO CC(C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410545742 925724850 /nfs/dbraw/zinc/72/48/50/925724850.db2.gz GESSNWLUEXZIES-LLVKDONJSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001410540322 925726046 /nfs/dbraw/zinc/72/60/46/925726046.db2.gz AUXLHZDWAVJWJW-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]2CNC(=O)C2(NC(N)=O)CC2)C1 ZINC001410562542 925726634 /nfs/dbraw/zinc/72/66/34/925726634.db2.gz RGEXLXBMFJBDON-MNOVXSKESA-N 1 1 323.397 -1.144 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC001410569616 925728629 /nfs/dbraw/zinc/72/86/29/925728629.db2.gz ISAYTEHZBDZSMO-MFKMUULPSA-N 1 1 323.397 -1.079 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)s1 ZINC001410570995 925729474 /nfs/dbraw/zinc/72/94/74/925729474.db2.gz KBWRLHGZQOKBQI-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1cc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001410575547 925730262 /nfs/dbraw/zinc/73/02/62/925730262.db2.gz DOIAFPPTMGUAKU-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001410575547 925730267 /nfs/dbraw/zinc/73/02/67/925730267.db2.gz DOIAFPPTMGUAKU-STQMWFEESA-N 1 1 312.370 -1.120 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001410582674 925732502 /nfs/dbraw/zinc/73/25/02/925732502.db2.gz OLMDKYDZXXGNMC-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001410582674 925732510 /nfs/dbraw/zinc/73/25/10/925732510.db2.gz OLMDKYDZXXGNMC-UWVGGRQHSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001410582687 925733059 /nfs/dbraw/zinc/73/30/59/925733059.db2.gz OLMDKYDZXXGNMC-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001410582687 925733066 /nfs/dbraw/zinc/73/30/66/925733066.db2.gz OLMDKYDZXXGNMC-ZJUUUORDSA-N 1 1 313.362 -2.893 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001410580359 925733467 /nfs/dbraw/zinc/73/34/67/925733467.db2.gz FLIREXLRZPPJDD-LBPRGKRZSA-N 1 1 309.370 -1.122 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CNC(=O)C2CC2)cn1 ZINC001410580326 925733631 /nfs/dbraw/zinc/73/36/31/925733631.db2.gz LKAXOUZVNHMERL-CYBMUJFWSA-N 1 1 321.381 -1.122 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001410609698 925738240 /nfs/dbraw/zinc/73/82/40/925738240.db2.gz AZSRCAKLJNEKIE-GFCCVEGCSA-N 1 1 321.385 -1.159 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001410605917 925738368 /nfs/dbraw/zinc/73/83/68/925738368.db2.gz JRHDIHUTIRDDKE-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001410609730 925738728 /nfs/dbraw/zinc/73/87/28/925738728.db2.gz AZSRCAKLJNEKIE-LBPRGKRZSA-N 1 1 321.385 -1.159 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@H]2CCN(C)C2=O)n[nH]1 ZINC001410628235 925742288 /nfs/dbraw/zinc/74/22/88/925742288.db2.gz QVYDJUZTLXHGGX-ZJUUUORDSA-N 1 1 310.358 -2.047 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001410628219 925743252 /nfs/dbraw/zinc/74/32/52/925743252.db2.gz QVYDJUZTLXHGGX-VHSXEESVSA-N 1 1 310.358 -2.047 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)n[nH]1 ZINC001410637811 925744607 /nfs/dbraw/zinc/74/46/07/925744607.db2.gz YKIUNFKEANEPDI-JTQLQIEISA-N 1 1 310.358 -1.999 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410641798 925746399 /nfs/dbraw/zinc/74/63/99/925746399.db2.gz CCTDWZZPGPZCCZ-QWHCGFSZSA-N 1 1 312.414 -1.517 20 0 DAADMO Cc1oncc1C[NH2+][C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001410664480 925752467 /nfs/dbraw/zinc/75/24/67/925752467.db2.gz ASLIALDLSIHPHA-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001410670439 925753683 /nfs/dbraw/zinc/75/36/83/925753683.db2.gz PIZWGRNGGVJZBM-WDEREUQCSA-N 1 1 309.370 -1.487 20 0 DAADMO O=C(CCCF)NC[C@@H](CO)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001410689854 925759958 /nfs/dbraw/zinc/75/99/58/925759958.db2.gz ATZULJLORLVQGS-JTQLQIEISA-N 1 1 318.349 -2.239 20 0 DAADMO CCc1onc(C)c1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001410701298 925761496 /nfs/dbraw/zinc/76/14/96/925761496.db2.gz APTGLSFHGMWHGL-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)N[C@@H](C)c1nnnn1C ZINC001410714246 925764570 /nfs/dbraw/zinc/76/45/70/925764570.db2.gz ZTSPTVREJHACGR-WDEREUQCSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1noc(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)n1 ZINC001410715950 925765244 /nfs/dbraw/zinc/76/52/44/925765244.db2.gz ZMEPPHSDJAIRRS-JTQLQIEISA-N 1 1 323.357 -1.294 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001410714975 925766108 /nfs/dbraw/zinc/76/61/08/925766108.db2.gz AWISZFLJRSUEKG-QWRGUYRKSA-N 1 1 308.342 -1.967 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001410722214 925766743 /nfs/dbraw/zinc/76/67/43/925766743.db2.gz ILYACZDEMSWITG-JTQLQIEISA-N 1 1 307.310 -1.053 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NCC(=O)NC2CC2)CC1 ZINC001410725559 925767068 /nfs/dbraw/zinc/76/70/68/925767068.db2.gz IACRSLASJPGPEF-CYBMUJFWSA-N 1 1 312.414 -1.327 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001410722615 925767296 /nfs/dbraw/zinc/76/72/96/925767296.db2.gz JVIZKVPXSCOUKQ-NSHDSACASA-N 1 1 307.358 -1.170 20 0 DAADMO C[C@H](N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001410723909 925768255 /nfs/dbraw/zinc/76/82/55/925768255.db2.gz JWFNXOMUAHSENS-CMPLNLGQSA-N 1 1 300.403 -1.341 20 0 DAADMO O=C(CCc1c[nH]nn1)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001410732262 925768669 /nfs/dbraw/zinc/76/86/69/925768669.db2.gz SKFKBBRUKKYVRL-LBPRGKRZSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001410735741 925771458 /nfs/dbraw/zinc/77/14/58/925771458.db2.gz ZSNOEEQUILBWSJ-OUAUKWLOSA-N 1 1 324.385 -1.717 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001410735745 925771500 /nfs/dbraw/zinc/77/15/00/925771500.db2.gz ZSNOEEQUILBWSJ-VWYCJHECSA-N 1 1 324.385 -1.717 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001410763006 925773162 /nfs/dbraw/zinc/77/31/62/925773162.db2.gz BYPPINCHNZTFHG-JTQLQIEISA-N 1 1 312.374 -1.704 20 0 DAADMO CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC(N)=O)[NH+](C)C ZINC001410757949 925773342 /nfs/dbraw/zinc/77/33/42/925773342.db2.gz VGRAXKYBMHWSAG-RKDXNWHRSA-N 1 1 303.363 -2.412 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)Cn2ncnn2)CC1 ZINC001410755863 925773486 /nfs/dbraw/zinc/77/34/86/925773486.db2.gz RAGBGSLTTCHSKM-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CCC(=O)N2)n1 ZINC001410771223 925775151 /nfs/dbraw/zinc/77/51/51/925775151.db2.gz LSSQQZXZQHVIKV-PWSUYJOCSA-N 1 1 309.370 -1.345 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001410775817 925777603 /nfs/dbraw/zinc/77/76/03/925777603.db2.gz AJZZRDWDOVXIAY-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CN(C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001410775817 925777613 /nfs/dbraw/zinc/77/76/13/925777613.db2.gz AJZZRDWDOVXIAY-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001410779329 925778209 /nfs/dbraw/zinc/77/82/09/925778209.db2.gz SGZUXVRMVUWDIQ-VIFPVBQESA-N 1 1 309.330 -1.130 20 0 DAADMO Cc1cnn(CCC(=O)NC[C@@H](CO)[NH2+]Cc2cnnn2C)c1 ZINC001410786970 925781816 /nfs/dbraw/zinc/78/18/16/925781816.db2.gz NSVXKNRDWVQYJW-LBPRGKRZSA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1[nH]c(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001410793967 925784435 /nfs/dbraw/zinc/78/44/35/925784435.db2.gz UXFDURQCWZDFEK-NXEZZACHSA-N 1 1 312.374 -2.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)Cn3cncn3)CC2)C1 ZINC001410824458 925786007 /nfs/dbraw/zinc/78/60/07/925786007.db2.gz UWLCJCQKGJBYFI-NSHDSACASA-N 1 1 306.370 -1.005 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001410843147 925788391 /nfs/dbraw/zinc/78/83/91/925788391.db2.gz QFJFDTRMWDQVLD-BDAKNGLRSA-N 1 1 311.346 -1.355 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)Cc1ccn[nH]1 ZINC001410833698 925788455 /nfs/dbraw/zinc/78/84/55/925788455.db2.gz FOSKDJKJGOOFDJ-SCZZXKLOSA-N 1 1 308.342 -1.274 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001410945408 925794890 /nfs/dbraw/zinc/79/48/90/925794890.db2.gz CURGUZQGWXQEBX-UWVGGRQHSA-N 1 1 324.389 -1.486 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccn1C ZINC001410972055 925796525 /nfs/dbraw/zinc/79/65/25/925796525.db2.gz FLKKVARCJUDGTH-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1COCCO1 ZINC001410972443 925796682 /nfs/dbraw/zinc/79/66/82/925796682.db2.gz GLHHDWIKTRDDJX-QWRGUYRKSA-N 1 1 300.315 -1.606 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCn2cncn2)[nH]1 ZINC001410969480 925796740 /nfs/dbraw/zinc/79/67/40/925796740.db2.gz CYPYULBGEGYISE-LLVKDONJSA-N 1 1 322.373 -1.296 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1COCCO1 ZINC001410972435 925797417 /nfs/dbraw/zinc/79/74/17/925797417.db2.gz GLHHDWIKTRDDJX-MNOVXSKESA-N 1 1 300.315 -1.606 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cc[nH]c(=O)c1 ZINC001410977980 925798643 /nfs/dbraw/zinc/79/86/43/925798643.db2.gz JEWURIGGAVBNNH-SNVBAGLBSA-N 1 1 321.341 -1.467 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001410980155 925798807 /nfs/dbraw/zinc/79/88/07/925798807.db2.gz LLHLLMLJGKIAPG-CMPLNLGQSA-N 1 1 322.373 -1.423 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001410985076 925799350 /nfs/dbraw/zinc/79/93/50/925799350.db2.gz OMNZYBMJWDUYTL-WCBMZHEXSA-N 1 1 313.362 -2.219 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001411002388 925801380 /nfs/dbraw/zinc/80/13/80/925801380.db2.gz YOWWFSIAGJZYOF-NXEZZACHSA-N 1 1 300.363 -1.456 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)C[C@@H]1CCNC1=O ZINC001411042655 925805016 /nfs/dbraw/zinc/80/50/16/925805016.db2.gz LMZQEDGBNURDKJ-QWRGUYRKSA-N 1 1 324.385 -1.750 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC(=O)N(C)C2)[nH]1 ZINC001411044743 925805698 /nfs/dbraw/zinc/80/56/98/925805698.db2.gz PMBVBDUCMYCHDK-GHMZBOCLSA-N 1 1 324.385 -1.500 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn(C)nn2)nn1 ZINC001411051607 925805773 /nfs/dbraw/zinc/80/57/73/925805773.db2.gz ABSSJOICLMIKEA-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO COC1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)C1 ZINC001411055281 925806151 /nfs/dbraw/zinc/80/61/51/925806151.db2.gz AANINTPCYUYMOR-YVNMAJEFSA-N 1 1 312.374 -1.456 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001411063212 925806327 /nfs/dbraw/zinc/80/63/27/925806327.db2.gz GDPGXYVRVPVIIG-SNVBAGLBSA-N 1 1 323.357 -1.225 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)[nH]1 ZINC001411055509 925807237 /nfs/dbraw/zinc/80/72/37/925807237.db2.gz FAWKEGLYFBEWRS-NSHDSACASA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnco1)c1nnnn1C ZINC001411055975 925807664 /nfs/dbraw/zinc/80/76/64/925807664.db2.gz ABJIEFZDKLIQEH-BDAKNGLRSA-N 1 1 309.330 -1.018 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001411061368 925808095 /nfs/dbraw/zinc/80/80/95/925808095.db2.gz DRYMXSTYBMRJRW-ZJUUUORDSA-N 1 1 310.358 -1.586 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)no1 ZINC001411067347 925808428 /nfs/dbraw/zinc/80/84/28/925808428.db2.gz BJPVIPFDVLULMO-GHMZBOCLSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411079539 925809000 /nfs/dbraw/zinc/80/90/00/925809000.db2.gz RXTZWPUNDCTNJH-SNVBAGLBSA-N 1 1 308.346 -1.536 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnnn2C)nn1 ZINC001411076382 925809973 /nfs/dbraw/zinc/80/99/73/925809973.db2.gz QKIMCDLJVOTNFF-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c2[nH]nnc2C)C1=O ZINC001411087121 925810754 /nfs/dbraw/zinc/81/07/54/925810754.db2.gz YHVOYTPNEWWRKU-GHMZBOCLSA-N 1 1 324.385 -1.244 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCC(=O)N1C ZINC001411090933 925811340 /nfs/dbraw/zinc/81/13/40/925811340.db2.gz IZUNAPAIDKADDA-QWRGUYRKSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@H]1CCC(=O)N1C ZINC001411090542 925812353 /nfs/dbraw/zinc/81/23/53/925812353.db2.gz NNVQZOGRCOLUEQ-VXGBXAGGSA-N 1 1 324.385 -1.655 20 0 DAADMO CCn1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n1 ZINC001411096995 925812734 /nfs/dbraw/zinc/81/27/34/925812734.db2.gz DPQPAKLEAQNYIU-JTQLQIEISA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CCC(=O)N1C ZINC001411107798 925813583 /nfs/dbraw/zinc/81/35/83/925813583.db2.gz YTZYBZVAJHJWOF-RYUDHWBXSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)C[C@H]1CCC(=O)N1 ZINC001411100392 925813628 /nfs/dbraw/zinc/81/36/28/925813628.db2.gz ICEKWGLNOINBST-ZYHUDNBSSA-N 1 1 324.385 -1.607 20 0 DAADMO Cc1nonc1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001411119527 925814391 /nfs/dbraw/zinc/81/43/91/925814391.db2.gz QZTMVNVQQZSXCC-JTQLQIEISA-N 1 1 310.314 -1.087 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccnn1 ZINC001411129585 925815545 /nfs/dbraw/zinc/81/55/45/925815545.db2.gz PHLDWJUQGLGNIT-SECBINFHSA-N 1 1 306.330 -1.777 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)c1cccnn1 ZINC001411129607 925815641 /nfs/dbraw/zinc/81/56/41/925815641.db2.gz PHLDWJUQGLGNIT-VIFPVBQESA-N 1 1 306.330 -1.777 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001411135193 925818134 /nfs/dbraw/zinc/81/81/34/925818134.db2.gz XAERGPWVCVHNCZ-QMMMGPOBSA-N 1 1 324.328 -1.152 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001411135193 925818142 /nfs/dbraw/zinc/81/81/42/925818142.db2.gz XAERGPWVCVHNCZ-QMMMGPOBSA-N 1 1 324.328 -1.152 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001411136047 925818237 /nfs/dbraw/zinc/81/82/37/925818237.db2.gz YDVPHBLQTHSEJX-YUMQZZPRSA-N 1 1 324.328 -1.024 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001411143946 925819976 /nfs/dbraw/zinc/81/99/76/925819976.db2.gz GIZAVHRPYLNPOQ-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143946 925819991 /nfs/dbraw/zinc/81/99/91/925819991.db2.gz GIZAVHRPYLNPOQ-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cc1ccn[nH]1 ZINC001411143946 925820004 /nfs/dbraw/zinc/82/00/04/925820004.db2.gz GIZAVHRPYLNPOQ-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001411144767 925820804 /nfs/dbraw/zinc/82/08/04/925820804.db2.gz CFRNPRRLCHNHTK-NEPJUHHUSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001411144767 925820813 /nfs/dbraw/zinc/82/08/13/925820813.db2.gz CFRNPRRLCHNHTK-NEPJUHHUSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001411144807 925821197 /nfs/dbraw/zinc/82/11/97/925821197.db2.gz CFRNPRRLCHNHTK-NWDGAFQWSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001411144807 925821204 /nfs/dbraw/zinc/82/12/04/925821204.db2.gz CFRNPRRLCHNHTK-NWDGAFQWSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001411144817 925821246 /nfs/dbraw/zinc/82/12/46/925821246.db2.gz CFRNPRRLCHNHTK-RYUDHWBXSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001411144817 925821251 /nfs/dbraw/zinc/82/12/51/925821251.db2.gz CFRNPRRLCHNHTK-RYUDHWBXSA-N 1 1 311.386 -1.059 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001411145916 925821576 /nfs/dbraw/zinc/82/15/76/925821576.db2.gz HNAYPYRPGGYXTE-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001411145916 925821577 /nfs/dbraw/zinc/82/15/77/925821577.db2.gz HNAYPYRPGGYXTE-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001411151701 925822432 /nfs/dbraw/zinc/82/24/32/925822432.db2.gz SBOUNBBKCZNSDW-UWVGGRQHSA-N 1 1 310.358 -1.699 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001411162454 925823936 /nfs/dbraw/zinc/82/39/36/925823936.db2.gz KMROQIXSCUVBQC-MNOVXSKESA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1ccnc2ccnn21 ZINC001411164843 925824231 /nfs/dbraw/zinc/82/42/31/925824231.db2.gz BXYMGFNHUJMSBJ-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1ccnc2ccnn21 ZINC001411164843 925824239 /nfs/dbraw/zinc/82/42/39/925824239.db2.gz BXYMGFNHUJMSBJ-JTQLQIEISA-N 1 1 320.353 -1.421 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)ccn1 ZINC001411165299 925824258 /nfs/dbraw/zinc/82/42/58/925824258.db2.gz LQUIWALERHAMQK-LLVKDONJSA-N 1 1 310.354 -1.060 20 0 DAADMO COc1cc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)ccn1 ZINC001411165299 925824264 /nfs/dbraw/zinc/82/42/64/925824264.db2.gz LQUIWALERHAMQK-LLVKDONJSA-N 1 1 310.354 -1.060 20 0 DAADMO Cc1nc(C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]2CCNC2=O)c[nH]1 ZINC001411167780 925825410 /nfs/dbraw/zinc/82/54/10/925825410.db2.gz PTBMUJXPRMEPGA-ZYHUDNBSSA-N 1 1 309.370 -1.029 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411169515 925825547 /nfs/dbraw/zinc/82/55/47/925825547.db2.gz OIJDSXHERNJEBU-JTQLQIEISA-N 1 1 305.350 -1.259 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411169515 925825557 /nfs/dbraw/zinc/82/55/57/925825557.db2.gz OIJDSXHERNJEBU-JTQLQIEISA-N 1 1 305.350 -1.259 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001411167437 925825756 /nfs/dbraw/zinc/82/57/56/925825756.db2.gz TUROCFZUNSVMRK-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1ccnn1C)C(=O)Cn1cnnn1 ZINC001411167437 925825767 /nfs/dbraw/zinc/82/57/67/925825767.db2.gz TUROCFZUNSVMRK-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163496 925825848 /nfs/dbraw/zinc/82/58/48/925825848.db2.gz QOHUURFORRVCJQ-PWSUYJOCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163496 925825857 /nfs/dbraw/zinc/82/58/57/925825857.db2.gz QOHUURFORRVCJQ-PWSUYJOCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163474 925826033 /nfs/dbraw/zinc/82/60/33/925826033.db2.gz QOHUURFORRVCJQ-CMPLNLGQSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001411163474 925826042 /nfs/dbraw/zinc/82/60/42/925826042.db2.gz QOHUURFORRVCJQ-CMPLNLGQSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001411174971 925826449 /nfs/dbraw/zinc/82/64/49/925826449.db2.gz WMUNSOHYYZSSLG-LLVKDONJSA-N 1 1 303.403 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001411174971 925826450 /nfs/dbraw/zinc/82/64/50/925826450.db2.gz WMUNSOHYYZSSLG-LLVKDONJSA-N 1 1 303.403 -1.013 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176655 925826567 /nfs/dbraw/zinc/82/65/67/925826567.db2.gz DISIZUVBWOZSJO-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176655 925826574 /nfs/dbraw/zinc/82/65/74/925826574.db2.gz DISIZUVBWOZSJO-GHMZBOCLSA-N 1 1 324.385 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177469 925826865 /nfs/dbraw/zinc/82/68/65/925826865.db2.gz BSZHYPQEGZCAST-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177469 925826875 /nfs/dbraw/zinc/82/68/75/925826875.db2.gz BSZHYPQEGZCAST-QWRGUYRKSA-N 1 1 309.370 -1.024 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001411172644 925826914 /nfs/dbraw/zinc/82/69/14/925826914.db2.gz XJBWDTWQRAQDKT-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001411172644 925826921 /nfs/dbraw/zinc/82/69/21/925826921.db2.gz XJBWDTWQRAQDKT-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411171082 925827417 /nfs/dbraw/zinc/82/74/17/925827417.db2.gz YGYWNXCGBQDGDI-JTQLQIEISA-N 1 1 301.343 -1.628 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001411171082 925827426 /nfs/dbraw/zinc/82/74/26/925827426.db2.gz YGYWNXCGBQDGDI-JTQLQIEISA-N 1 1 301.343 -1.628 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177472 925827600 /nfs/dbraw/zinc/82/76/00/925827600.db2.gz BSZHYPQEGZCAST-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001411177472 925827603 /nfs/dbraw/zinc/82/76/03/925827603.db2.gz BSZHYPQEGZCAST-WDEREUQCSA-N 1 1 309.370 -1.024 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001411174179 925827622 /nfs/dbraw/zinc/82/76/22/925827622.db2.gz IAXXUFPQVGOFRY-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001411174179 925827629 /nfs/dbraw/zinc/82/76/29/925827629.db2.gz IAXXUFPQVGOFRY-MNOVXSKESA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001411174182 925828152 /nfs/dbraw/zinc/82/81/52/925828152.db2.gz IAXXUFPQVGOFRY-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O ZINC001411174182 925828159 /nfs/dbraw/zinc/82/81/59/925828159.db2.gz IAXXUFPQVGOFRY-QWRGUYRKSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176656 925828191 /nfs/dbraw/zinc/82/81/91/925828191.db2.gz DISIZUVBWOZSJO-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001411176656 925828195 /nfs/dbraw/zinc/82/81/95/925828195.db2.gz DISIZUVBWOZSJO-MNOVXSKESA-N 1 1 324.385 -1.210 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001411176805 925828311 /nfs/dbraw/zinc/82/83/11/925828311.db2.gz FNJNKQHLLPIYFP-LLVKDONJSA-N 1 1 316.402 -1.615 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001411176805 925828318 /nfs/dbraw/zinc/82/83/18/925828318.db2.gz FNJNKQHLLPIYFP-LLVKDONJSA-N 1 1 316.402 -1.615 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1ncccn1 ZINC001411177604 925828334 /nfs/dbraw/zinc/82/83/34/925828334.db2.gz KFPBBAJVIMTZEZ-NSHDSACASA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1ncccn1 ZINC001411177604 925828341 /nfs/dbraw/zinc/82/83/41/925828341.db2.gz KFPBBAJVIMTZEZ-NSHDSACASA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001411171767 925828386 /nfs/dbraw/zinc/82/83/86/925828386.db2.gz ZODCOBGAMNZUND-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001411171767 925828392 /nfs/dbraw/zinc/82/83/92/925828392.db2.gz ZODCOBGAMNZUND-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001411172471 925828535 /nfs/dbraw/zinc/82/85/35/925828535.db2.gz XTYIMYAKKRNUIQ-NWDGAFQWSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176834 925828793 /nfs/dbraw/zinc/82/87/93/925828793.db2.gz GBKCVPHIPCLLHB-ZYHUDNBSSA-N 1 1 311.386 -1.033 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001411176834 925828801 /nfs/dbraw/zinc/82/88/01/925828801.db2.gz GBKCVPHIPCLLHB-ZYHUDNBSSA-N 1 1 311.386 -1.033 20 0 DAADMO CC(C)OCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001411173538 925828820 /nfs/dbraw/zinc/82/88/20/925828820.db2.gz FGBYAKYFBWZPKC-NSHDSACASA-N 1 1 314.390 -1.000 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)C1 ZINC001411192305 925829266 /nfs/dbraw/zinc/82/92/66/925829266.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)C1 ZINC001411192305 925829277 /nfs/dbraw/zinc/82/92/77/925829277.db2.gz YVFLWPDICAVLNB-RYUDHWBXSA-N 1 1 316.402 -2.057 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001411182865 925829661 /nfs/dbraw/zinc/82/96/61/925829661.db2.gz KEGOUILTPYXBLA-LLVKDONJSA-N 1 1 312.374 -1.883 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001411182865 925829674 /nfs/dbraw/zinc/82/96/74/925829674.db2.gz KEGOUILTPYXBLA-LLVKDONJSA-N 1 1 312.374 -1.883 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182455 925830374 /nfs/dbraw/zinc/83/03/74/925830374.db2.gz TXQVVTSBDAIKCD-UWVGGRQHSA-N 1 1 312.374 -1.767 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182455 925830382 /nfs/dbraw/zinc/83/03/82/925830382.db2.gz TXQVVTSBDAIKCD-UWVGGRQHSA-N 1 1 312.374 -1.767 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180031 925831317 /nfs/dbraw/zinc/83/13/17/925831317.db2.gz NBSCCTXBZDDPTC-VHSXEESVSA-N 1 1 313.362 -2.312 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001411180031 925831327 /nfs/dbraw/zinc/83/13/27/925831327.db2.gz NBSCCTXBZDDPTC-VHSXEESVSA-N 1 1 313.362 -2.312 20 0 DAADMO CN(C[C@H](O)CN(C)[C@H]1CCCNC1=O)C(=O)CC[NH+](C)C ZINC001411190827 925831632 /nfs/dbraw/zinc/83/16/32/925831632.db2.gz NOAAAPOWLLYPGU-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)C1 ZINC001411184999 925831689 /nfs/dbraw/zinc/83/16/89/925831689.db2.gz YICLCDDRQXIJJP-UKRRQHHQSA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001411183045 925831776 /nfs/dbraw/zinc/83/17/76/925831776.db2.gz QPTZNUPAUGKNOU-IGQOVBAYSA-N 1 1 323.397 -1.078 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182457 925831794 /nfs/dbraw/zinc/83/17/94/925831794.db2.gz TXQVVTSBDAIKCD-VHSXEESVSA-N 1 1 312.374 -1.767 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc[nH]1 ZINC001411182457 925831801 /nfs/dbraw/zinc/83/18/01/925831801.db2.gz TXQVVTSBDAIKCD-VHSXEESVSA-N 1 1 312.374 -1.767 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001411184800 925832300 /nfs/dbraw/zinc/83/23/00/925832300.db2.gz OKRHYVVLLQFAMU-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001411184800 925832311 /nfs/dbraw/zinc/83/23/11/925832311.db2.gz OKRHYVVLLQFAMU-LLVKDONJSA-N 1 1 311.386 -1.079 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001411490138 925842356 /nfs/dbraw/zinc/84/23/56/925842356.db2.gz AGKYQBYYXFTYQG-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(N[C@@]12CC[N@H+](C1)CCC2)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001411519448 925844926 /nfs/dbraw/zinc/84/49/26/925844926.db2.gz SDTZHDLKIHYZPW-CABZTGNLSA-N 1 1 301.368 -1.746 20 0 DAADMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001411519448 925844933 /nfs/dbraw/zinc/84/49/33/925844933.db2.gz SDTZHDLKIHYZPW-CABZTGNLSA-N 1 1 301.368 -1.746 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001411581529 925845446 /nfs/dbraw/zinc/84/54/46/925845446.db2.gz ODJXFGGFNNMNEE-MNOVXSKESA-N 1 1 313.402 -1.029 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001411581531 925845704 /nfs/dbraw/zinc/84/57/04/925845704.db2.gz ODJXFGGFNNMNEE-QWRGUYRKSA-N 1 1 313.402 -1.029 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)C(=O)Cn1ncnn1 ZINC001411638077 925848492 /nfs/dbraw/zinc/84/84/92/925848492.db2.gz ZFRFLCNGWIUBMT-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001411642451 925848668 /nfs/dbraw/zinc/84/86/68/925848668.db2.gz QFBXXIRPOFVPPB-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001411642013 925849609 /nfs/dbraw/zinc/84/96/09/925849609.db2.gz IGBMYJGFXNOOSG-SRVKXCTJSA-N 1 1 321.385 -1.079 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nnc[nH]2)C1 ZINC001411774436 925856326 /nfs/dbraw/zinc/85/63/26/925856326.db2.gz IIFNEIVRBQBGOI-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001411774436 925856332 /nfs/dbraw/zinc/85/63/32/925856332.db2.gz IIFNEIVRBQBGOI-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2ncn[nH]2)C1 ZINC001411774436 925856341 /nfs/dbraw/zinc/85/63/41/925856341.db2.gz IIFNEIVRBQBGOI-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001411774436 925856347 /nfs/dbraw/zinc/85/63/47/925856347.db2.gz IIFNEIVRBQBGOI-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(CCO)(NC(=O)c2nc[nH]n2)C1 ZINC001411774436 925856352 /nfs/dbraw/zinc/85/63/52/925856352.db2.gz IIFNEIVRBQBGOI-UHFFFAOYSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCC(=O)N2CCC(O)CC2)C1 ZINC001411992697 925865624 /nfs/dbraw/zinc/86/56/24/925865624.db2.gz TVLOZSMKWGTMCZ-OAHLLOKOSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CNC(=O)c1ncccc1O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001412307357 925885991 /nfs/dbraw/zinc/88/59/91/925885991.db2.gz YOKCLSKQUICYPZ-WDEREUQCSA-N 1 1 320.349 -1.206 20 0 DAADMO COC(=O)c1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cn1 ZINC001412463987 925899121 /nfs/dbraw/zinc/89/91/21/925899121.db2.gz VITGNAIYPQZGFQ-AWEZNQCLSA-N 1 1 309.322 -1.051 20 0 DAADMO CC(C)CS(=O)(=O)CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412457788 925899805 /nfs/dbraw/zinc/89/98/05/925899805.db2.gz HZOPMUXBCPHQCH-CYBMUJFWSA-N 1 1 322.427 -1.086 20 0 DAADMO O=C(C[C@H]1C=CS(=O)(=O)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465516 925900915 /nfs/dbraw/zinc/90/09/15/925900915.db2.gz MKSTVOIVUAWYLJ-PWSUYJOCSA-N 1 1 304.368 -1.598 20 0 DAADMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cn(C(F)(F)CO)nn1 ZINC001412464792 925901785 /nfs/dbraw/zinc/90/17/85/925901785.db2.gz KSQRLYBOWFZIHQ-SNVBAGLBSA-N 1 1 321.284 -2.100 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001412518690 925906024 /nfs/dbraw/zinc/90/60/24/925906024.db2.gz CTSHDNOUHIPMBA-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+](CC(=O)NCc1nnc2n1CCNC2=O)[C@@H]1CCC[C@H]1O ZINC001412513176 925906129 /nfs/dbraw/zinc/90/61/29/925906129.db2.gz ITAZHLXYVAEDCF-NXEZZACHSA-N 1 1 322.369 -1.517 20 0 DAADMO Cn1ncnc1C1(O)CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001412517217 925906535 /nfs/dbraw/zinc/90/65/35/925906535.db2.gz UPEBCVXKJPZORU-GHMZBOCLSA-N 1 1 309.370 -1.310 20 0 DAADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001412530053 925907370 /nfs/dbraw/zinc/90/73/70/925907370.db2.gz VKYIMXXSDKFAOO-GFCCVEGCSA-N 1 1 315.418 -1.595 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001412522178 925907626 /nfs/dbraw/zinc/90/76/26/925907626.db2.gz MXBQIWDKTFIVSX-WDEREUQCSA-N 1 1 308.338 -1.384 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001412532082 925908195 /nfs/dbraw/zinc/90/81/95/925908195.db2.gz COVIYLYNFSAJDO-VHSXEESVSA-N 1 1 309.374 -1.262 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n1 ZINC001412519775 925908212 /nfs/dbraw/zinc/90/82/12/925908212.db2.gz GSKZDBMFWDELIN-VHSXEESVSA-N 1 1 321.385 -1.199 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)C1 ZINC001412579691 925913470 /nfs/dbraw/zinc/91/34/70/925913470.db2.gz UCBRINQAGRWAKG-VXGBXAGGSA-N 1 1 313.402 -1.746 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001412570719 925913776 /nfs/dbraw/zinc/91/37/76/925913776.db2.gz CCLNNXYAWZFZJN-DLOVCJGASA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)C(N)=O ZINC001412570719 925913794 /nfs/dbraw/zinc/91/37/94/925913794.db2.gz CCLNNXYAWZFZJN-DLOVCJGASA-N 1 1 313.402 -1.883 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)C(N)=O ZINC001412570719 925913802 /nfs/dbraw/zinc/91/38/02/925913802.db2.gz CCLNNXYAWZFZJN-DLOVCJGASA-N 1 1 313.402 -1.883 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CCn1cnc2c1ncnc2N ZINC001412609280 925916136 /nfs/dbraw/zinc/91/61/36/925916136.db2.gz QOWNHGQUYFVGQT-UHFFFAOYSA-N 1 1 307.358 -1.161 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCc1nnc2c(=O)[nH]ccn12 ZINC001412637456 925919978 /nfs/dbraw/zinc/91/99/78/925919978.db2.gz VGAUUFPGZJZPMY-UHFFFAOYSA-N 1 1 306.326 -1.244 20 0 DAADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC(=O)NCCO)cn1 ZINC001412660589 925921401 /nfs/dbraw/zinc/92/14/01/925921401.db2.gz BFTKCEQTTBQQAL-STQMWFEESA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001412660949 925921932 /nfs/dbraw/zinc/92/19/32/925921932.db2.gz JNHHQIDVYUOKLY-FOGDFJRCSA-N 1 1 321.385 -1.223 20 0 DAADMO COCCC(=O)NC[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001412723946 925926827 /nfs/dbraw/zinc/92/68/27/925926827.db2.gz JHAZSSDYXCKFQR-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)Cn2cccn2)C1 ZINC001412759628 925937179 /nfs/dbraw/zinc/93/71/79/925937179.db2.gz RQVIPJXKTPXQLR-NEPJUHHUSA-N 1 1 309.370 -1.572 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001412765722 925939210 /nfs/dbraw/zinc/93/92/10/925939210.db2.gz AWFAHOBDMLSTOV-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001412765716 925939595 /nfs/dbraw/zinc/93/95/95/925939595.db2.gz AWFAHOBDMLSTOV-GARJFASQSA-N 1 1 310.354 -1.358 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001412776659 925942772 /nfs/dbraw/zinc/94/27/72/925942772.db2.gz UJSCLPIAXHWROC-ONGXEEELSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c(=O)c1 ZINC001412786452 925946566 /nfs/dbraw/zinc/94/65/66/925946566.db2.gz CHYSQWSQDZYYTL-WDEREUQCSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]c(=O)c1 ZINC001412786435 925947110 /nfs/dbraw/zinc/94/71/10/925947110.db2.gz CHYSQWSQDZYYTL-GHMZBOCLSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001412791094 925948767 /nfs/dbraw/zinc/94/87/67/925948767.db2.gz HYGBLMZCGXZZQM-IEECTRCBSA-N 1 1 311.382 -1.434 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cc1cnoc1 ZINC001412789958 925949001 /nfs/dbraw/zinc/94/90/01/925949001.db2.gz GVCDCMAJYIEGHD-RYUDHWBXSA-N 1 1 310.354 -1.095 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001412799939 925951760 /nfs/dbraw/zinc/95/17/60/925951760.db2.gz CBNINPLZHVFFLB-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001412799939 925951769 /nfs/dbraw/zinc/95/17/69/925951769.db2.gz CBNINPLZHVFFLB-QWHCGFSZSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001412800953 925952326 /nfs/dbraw/zinc/95/23/26/925952326.db2.gz RIVOFPOXTUMPRQ-GXSJLCMTSA-N 1 1 310.358 -1.884 20 0 DAADMO Cn1cncc1CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001412803585 925953432 /nfs/dbraw/zinc/95/34/32/925953432.db2.gz SDBDSYQLCYUDLM-WCQYABFASA-N 1 1 323.397 -1.350 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cocn2)C1 ZINC001412806689 925954131 /nfs/dbraw/zinc/95/41/31/925954131.db2.gz HKFOMMWHEJNGTA-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)c2cocn2)C1 ZINC001412806689 925954138 /nfs/dbraw/zinc/95/41/38/925954138.db2.gz HKFOMMWHEJNGTA-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412807581 925955143 /nfs/dbraw/zinc/95/51/43/925955143.db2.gz UWKXUFRASRRIIH-NEPJUHHUSA-N 1 1 317.386 -1.663 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001412808535 925955236 /nfs/dbraw/zinc/95/52/36/925955236.db2.gz OIRBDTRCIGQGDK-UHFFFAOYSA-N 1 1 323.353 -1.371 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412807586 925955924 /nfs/dbraw/zinc/95/59/24/925955924.db2.gz UWKXUFRASRRIIH-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nnc[nH]2)C1 ZINC001412814437 925957554 /nfs/dbraw/zinc/95/75/54/925957554.db2.gz NQVOYLBAHZNRBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814437 925957562 /nfs/dbraw/zinc/95/75/62/925957562.db2.gz NQVOYLBAHZNRBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)CCc2nc[nH]n2)C1 ZINC001412814437 925957570 /nfs/dbraw/zinc/95/75/70/925957570.db2.gz NQVOYLBAHZNRBS-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818897 925958003 /nfs/dbraw/zinc/95/80/03/925958003.db2.gz QJUIZAHCERWRQJ-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818897 925958010 /nfs/dbraw/zinc/95/80/10/925958010.db2.gz QJUIZAHCERWRQJ-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818894 925958565 /nfs/dbraw/zinc/95/85/65/925958565.db2.gz QJUIZAHCERWRQJ-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412818894 925958574 /nfs/dbraw/zinc/95/85/74/925958574.db2.gz QJUIZAHCERWRQJ-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1nnc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001412836545 925962779 /nfs/dbraw/zinc/96/27/79/925962779.db2.gz DZSJFCIRBTUZAJ-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001412836545 925962787 /nfs/dbraw/zinc/96/27/87/925962787.db2.gz DZSJFCIRBTUZAJ-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001412836545 925962792 /nfs/dbraw/zinc/96/27/92/925962792.db2.gz DZSJFCIRBTUZAJ-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)nn1 ZINC001412834876 925963266 /nfs/dbraw/zinc/96/32/66/925963266.db2.gz OEUWNNNRMSFUBB-JQWIXIFHSA-N 1 1 324.385 -1.494 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2nccnc2N)C1 ZINC001412842554 925964956 /nfs/dbraw/zinc/96/49/56/925964956.db2.gz HPOAAEMOVYZHGS-ZJUUUORDSA-N 1 1 322.369 -1.783 20 0 DAADMO Cc1ccn(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001412846323 925966546 /nfs/dbraw/zinc/96/65/46/925966546.db2.gz ANRSEQYRWMZLOX-STQMWFEESA-N 1 1 323.397 -1.263 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001412852687 925967656 /nfs/dbraw/zinc/96/76/56/925967656.db2.gz POFFYJYKZJLMMG-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852687 925967666 /nfs/dbraw/zinc/96/76/66/925967666.db2.gz POFFYJYKZJLMMG-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852687 925967672 /nfs/dbraw/zinc/96/76/72/925967672.db2.gz POFFYJYKZJLMMG-ZYHUDNBSSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]n1 ZINC001412852662 925968145 /nfs/dbraw/zinc/96/81/45/925968145.db2.gz POFFYJYKZJLMMG-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852662 925968151 /nfs/dbraw/zinc/96/81/51/925968151.db2.gz POFFYJYKZJLMMG-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1 ZINC001412852662 925968157 /nfs/dbraw/zinc/96/81/57/925968157.db2.gz POFFYJYKZJLMMG-JQWIXIFHSA-N 1 1 324.385 -1.116 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c2ccncn2)C1 ZINC001412848808 925968416 /nfs/dbraw/zinc/96/84/16/925968416.db2.gz OPKGAUDEQZFSRP-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412857573 925969735 /nfs/dbraw/zinc/96/97/35/925969735.db2.gz JOJOQZXDESBEOW-NWDGAFQWSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)C)C1 ZINC001412861786 925970734 /nfs/dbraw/zinc/97/07/34/925970734.db2.gz DQXQWARYOJSEMP-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)C)C1 ZINC001412861786 925970744 /nfs/dbraw/zinc/97/07/44/925970744.db2.gz DQXQWARYOJSEMP-NEPJUHHUSA-N 1 1 301.387 -1.044 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001412861341 925971646 /nfs/dbraw/zinc/97/16/46/925971646.db2.gz NCLRMNRFRNGNHY-SECBINFHSA-N 1 1 308.298 -1.518 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001412868182 925973612 /nfs/dbraw/zinc/97/36/12/925973612.db2.gz ZTYPSIWDZXFENW-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001412890366 925976182 /nfs/dbraw/zinc/97/61/82/925976182.db2.gz AJPJKFFPCZPOMQ-GXSJLCMTSA-N 1 1 311.342 -1.239 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001412881920 925977088 /nfs/dbraw/zinc/97/70/88/925977088.db2.gz OEWUBQRNFWCKEK-LBPRGKRZSA-N 1 1 316.402 -1.602 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cn[nH]n1 ZINC001412897976 925978194 /nfs/dbraw/zinc/97/81/94/925978194.db2.gz VMXCOJSIWJPKPD-MWLCHTKSSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897976 925978201 /nfs/dbraw/zinc/97/82/01/925978201.db2.gz VMXCOJSIWJPKPD-MWLCHTKSSA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cnn[nH]1 ZINC001412897976 925978210 /nfs/dbraw/zinc/97/82/10/925978210.db2.gz VMXCOJSIWJPKPD-MWLCHTKSSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001412907726 925979440 /nfs/dbraw/zinc/97/94/40/925979440.db2.gz SRPBGEMVEHHHGU-GFCCVEGCSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1[nH]nnc1C ZINC001412906142 925979960 /nfs/dbraw/zinc/97/99/60/925979960.db2.gz QQHIFNDHXATXSA-JTQLQIEISA-N 1 1 321.341 -1.475 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)NC(=O)c1ncccn1 ZINC001412910328 925981100 /nfs/dbraw/zinc/98/11/00/925981100.db2.gz WXTAIGMOEJZJKI-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)c1cncn1C ZINC001412911457 925981137 /nfs/dbraw/zinc/98/11/37/925981137.db2.gz VGINSOZKQBIMSA-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)Cn2ccnc2)CC[N@H+]1C ZINC001412911128 925982208 /nfs/dbraw/zinc/98/22/08/925982208.db2.gz YUQYWPOHEJOOSK-FRRDWIJNSA-N 1 1 323.397 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCn1ccnc1 ZINC001412914441 925983895 /nfs/dbraw/zinc/98/38/95/925983895.db2.gz GZYQKQCZSHBZBY-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cnn(C)c1 ZINC001412928461 925986718 /nfs/dbraw/zinc/98/67/18/925986718.db2.gz MCNAAIYKNOCNQH-GFCCVEGCSA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC001412941240 925988060 /nfs/dbraw/zinc/98/80/60/925988060.db2.gz WVSQESAOCFIGLC-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ncn[nH]1 ZINC001412955790 925991524 /nfs/dbraw/zinc/99/15/24/925991524.db2.gz XOJVRNJFHQYKFJ-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2)c1nc[nH]n1 ZINC001412955790 925991529 /nfs/dbraw/zinc/99/15/29/925991529.db2.gz XOJVRNJFHQYKFJ-QWRGUYRKSA-N 1 1 322.369 -1.647 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001412955580 925991565 /nfs/dbraw/zinc/99/15/65/925991565.db2.gz IVPBVGFMWMCHJE-OBPIAQAESA-N 1 1 311.382 -1.576 20 0 DAADMO NS(=O)(=O)CCN1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001412967576 925996210 /nfs/dbraw/zinc/99/62/10/925996210.db2.gz FFKWYSZJCXKYRV-LLVKDONJSA-N 1 1 314.415 -1.329 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001412979596 925997052 /nfs/dbraw/zinc/99/70/52/925997052.db2.gz TWTCJHYCBVHFMR-JSGCOSHPSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001412979596 925997062 /nfs/dbraw/zinc/99/70/62/925997062.db2.gz TWTCJHYCBVHFMR-JSGCOSHPSA-N 1 1 313.398 -1.211 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cnn[nH]1)[NH+](C)C ZINC001412979155 925997252 /nfs/dbraw/zinc/99/72/52/925997252.db2.gz GJHYDZIRPRIWGY-GXSJLCMTSA-N 1 1 312.374 -1.402 20 0 DAADMO C[C@H]1CCN(CC(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976705 925997662 /nfs/dbraw/zinc/99/76/62/925997662.db2.gz WNBIUAUAGPXBQL-STQMWFEESA-N 1 1 314.430 -1.127 20 0 DAADMO C[C@@H]1CCN(CC(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)C1 ZINC001412976697 925997832 /nfs/dbraw/zinc/99/78/32/925997832.db2.gz WNBIUAUAGPXBQL-CHWSQXEVSA-N 1 1 314.430 -1.127 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)c1nnn(C)n1 ZINC001412987332 925998590 /nfs/dbraw/zinc/99/85/90/925998590.db2.gz HKPVGUVDZNTYDB-SECBINFHSA-N 1 1 313.362 -2.241 20 0 DAADMO COC[C@]1(CO)CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001412991637 925998976 /nfs/dbraw/zinc/99/89/76/925998976.db2.gz LDRYGBNMSSJBKI-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@]1(CO)CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001412991637 925998982 /nfs/dbraw/zinc/99/89/82/925998982.db2.gz LDRYGBNMSSJBKI-SMDDNHRTSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)CO ZINC001412991007 925999143 /nfs/dbraw/zinc/99/91/43/925999143.db2.gz GWAIWLXKMVRFIJ-JTQLQIEISA-N 1 1 304.368 -1.002 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)NC(=O)Cn2nccn2)C1 ZINC001413005461 926001834 /nfs/dbraw/zinc/00/18/34/926001834.db2.gz IXOUMHGNGSAGQD-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccnnc1 ZINC001413007446 926002624 /nfs/dbraw/zinc/00/26/24/926002624.db2.gz CAFACJHSEXMFMA-NEPJUHHUSA-N 1 1 307.354 -1.222 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C(N)=O ZINC001413026644 926004445 /nfs/dbraw/zinc/00/44/45/926004445.db2.gz MJOWFZMFPCAKGM-DTORHVGOSA-N 1 1 304.372 -2.460 20 0 DAADMO CCN1CC[NH+](CCC(=O)NC[C@@H](O)Cn2ccnn2)CC1 ZINC001413055726 926006854 /nfs/dbraw/zinc/00/68/54/926006854.db2.gz SQLTTYUCYMMZLG-CYBMUJFWSA-N 1 1 310.402 -1.217 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCN21 ZINC001413066884 926007971 /nfs/dbraw/zinc/00/79/71/926007971.db2.gz IIXBOPNPDUNTCR-WDEREUQCSA-N 1 1 321.399 -2.277 20 0 DAADMO O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCN21 ZINC001413066884 926007980 /nfs/dbraw/zinc/00/79/80/926007980.db2.gz IIXBOPNPDUNTCR-WDEREUQCSA-N 1 1 321.399 -2.277 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001413070384 926008165 /nfs/dbraw/zinc/00/81/65/926008165.db2.gz LUTANMAUOQIAAY-ZJUUUORDSA-N 1 1 321.399 -1.478 20 0 DAADMO C[C@](Cn1cccn1)([NH2+]CCN1CCCS1(=O)=O)C(N)=O ZINC001413078492 926009658 /nfs/dbraw/zinc/00/96/58/926009658.db2.gz NBNILCNIVACQQZ-GFCCVEGCSA-N 1 1 315.399 -1.248 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001413095691 926011978 /nfs/dbraw/zinc/01/19/78/926011978.db2.gz PFWMVAFDAGCBMG-VXGBXAGGSA-N 1 1 302.371 -1.069 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn[nH]c1 ZINC001413234601 926020172 /nfs/dbraw/zinc/02/01/72/926020172.db2.gz UFTGJYNUXIXMHP-PWSUYJOCSA-N 1 1 309.370 -1.090 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001413234563 926020751 /nfs/dbraw/zinc/02/07/51/926020751.db2.gz UHWRYALEYWPTKR-LLVKDONJSA-N 1 1 302.338 -1.056 20 0 DAADMO O=C(Cc1nc2ncccn2n1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001413234563 926020758 /nfs/dbraw/zinc/02/07/58/926020758.db2.gz UHWRYALEYWPTKR-LLVKDONJSA-N 1 1 302.338 -1.056 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn[nH]c1 ZINC001413234597 926020969 /nfs/dbraw/zinc/02/09/69/926020969.db2.gz UFTGJYNUXIXMHP-CMPLNLGQSA-N 1 1 309.370 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(C)(F)F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001413244389 926021844 /nfs/dbraw/zinc/02/18/44/926021844.db2.gz FKTCAIRGPUBZJP-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(C)(F)F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001413244389 926021852 /nfs/dbraw/zinc/02/18/52/926021852.db2.gz FKTCAIRGPUBZJP-VHSXEESVSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(C)(F)F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001413244384 926022409 /nfs/dbraw/zinc/02/24/09/926022409.db2.gz FKTCAIRGPUBZJP-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(C)(F)F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001413244384 926022420 /nfs/dbraw/zinc/02/24/20/926022420.db2.gz FKTCAIRGPUBZJP-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cncn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413262266 926025337 /nfs/dbraw/zinc/02/53/37/926025337.db2.gz HJHIIBLXSYMTPX-NEPJUHHUSA-N 1 1 324.385 -1.835 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001413270491 926025484 /nfs/dbraw/zinc/02/54/84/926025484.db2.gz NBMMHSNAAFSQPV-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001413270491 926025495 /nfs/dbraw/zinc/02/54/95/926025495.db2.gz NBMMHSNAAFSQPV-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001413270491 926025503 /nfs/dbraw/zinc/02/55/03/926025503.db2.gz NBMMHSNAAFSQPV-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001413270491 926025515 /nfs/dbraw/zinc/02/55/15/926025515.db2.gz NBMMHSNAAFSQPV-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001413270491 926025526 /nfs/dbraw/zinc/02/55/26/926025526.db2.gz NBMMHSNAAFSQPV-SNVBAGLBSA-N 1 1 312.374 -1.306 20 0 DAADMO COCCC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001413265266 926025566 /nfs/dbraw/zinc/02/55/66/926025566.db2.gz LCYPHOXLKDDAIY-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)CNC(N)=O ZINC001413273342 926026678 /nfs/dbraw/zinc/02/66/78/926026678.db2.gz UZTILKQHWUXKOO-SNVBAGLBSA-N 1 1 317.390 -2.070 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1ccncn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001413274162 926027391 /nfs/dbraw/zinc/02/73/91/926027391.db2.gz YVGYBYPKXSFJMR-NWDGAFQWSA-N 1 1 321.381 -1.023 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cnon1 ZINC001413285891 926028598 /nfs/dbraw/zinc/02/85/98/926028598.db2.gz GFYAUARBNSTFEZ-JTQLQIEISA-N 1 1 313.358 -1.040 20 0 DAADMO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1CO)c1ncnc2nc[nH]c21 ZINC001413326668 926036540 /nfs/dbraw/zinc/03/65/40/926036540.db2.gz MTUIVTKCJUMSRG-SNVBAGLBSA-N 1 1 319.369 -1.076 20 0 DAADMO CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)c1ncnc2nc[nH]c21 ZINC001413326668 926036549 /nfs/dbraw/zinc/03/65/49/926036549.db2.gz MTUIVTKCJUMSRG-SNVBAGLBSA-N 1 1 319.369 -1.076 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cn[nH]n2)C1 ZINC001413328766 926036867 /nfs/dbraw/zinc/03/68/67/926036867.db2.gz AGOTTWGNBNRWAJ-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328766 926036876 /nfs/dbraw/zinc/03/68/76/926036876.db2.gz AGOTTWGNBNRWAJ-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)c2cnn[nH]2)C1 ZINC001413328766 926036887 /nfs/dbraw/zinc/03/68/87/926036887.db2.gz AGOTTWGNBNRWAJ-QWRGUYRKSA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cncn1 ZINC001413355936 926042574 /nfs/dbraw/zinc/04/25/74/926042574.db2.gz LAUVQXNINSTACF-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CC[C@H](O)Cn1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001413378858 926046467 /nfs/dbraw/zinc/04/64/67/926046467.db2.gz OQHUOOPETNFBKW-NSHDSACASA-N 1 1 324.385 -1.272 20 0 DAADMO CC(=O)c1cn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)nn1 ZINC001413380884 926046720 /nfs/dbraw/zinc/04/67/20/926046720.db2.gz SZQPHROUSXKCNA-UHFFFAOYSA-N 1 1 308.342 -1.453 20 0 DAADMO CN(CC(=O)N1CC[N@H+](C)[C@H](CO)C1)c1ncnc2nc[nH]c21 ZINC001413409611 926050257 /nfs/dbraw/zinc/05/02/57/926050257.db2.gz QYZADIZTJLMRGZ-JTQLQIEISA-N 1 1 319.369 -1.076 20 0 DAADMO CN(CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1ncnc2nc[nH]c21 ZINC001413409611 926050267 /nfs/dbraw/zinc/05/02/67/926050267.db2.gz QYZADIZTJLMRGZ-JTQLQIEISA-N 1 1 319.369 -1.076 20 0 DAADMO CO[C@]1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CCS(=O)(=O)C1 ZINC001413418609 926051211 /nfs/dbraw/zinc/05/12/11/926051211.db2.gz FQVMLQPCNHSMIA-NWDGAFQWSA-N 1 1 322.383 -2.343 20 0 DAADMO O=C(CNC(=O)c1cccc(O)c1)NC[C@]1(CO)COCC[NH2+]1 ZINC001413418164 926051485 /nfs/dbraw/zinc/05/14/85/926051485.db2.gz DZMLERRDUMHTHQ-HNNXBMFYSA-N 1 1 323.349 -1.411 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)C[C@H](O)CNC2=O)N1CC[NH+](C)CC1 ZINC001413556997 926062937 /nfs/dbraw/zinc/06/29/37/926062937.db2.gz GKPXSONTPMTVCB-RYUDHWBXSA-N 1 1 310.398 -1.668 20 0 DAADMO C[C@H](C(=O)N1CC2(C1)C[C@@H](O)CNC2=O)N1CC[NH+](C)CC1 ZINC001413557008 926063498 /nfs/dbraw/zinc/06/34/98/926063498.db2.gz GKPXSONTPMTVCB-VXGBXAGGSA-N 1 1 310.398 -1.668 20 0 DAADMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587372 926064937 /nfs/dbraw/zinc/06/49/37/926064937.db2.gz HGWRKOHEDHKVAC-ONGXEEELSA-N 1 1 305.400 -1.231 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001413587372 926064942 /nfs/dbraw/zinc/06/49/42/926064942.db2.gz HGWRKOHEDHKVAC-ONGXEEELSA-N 1 1 305.400 -1.231 20 0 DAADMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001413727471 926071885 /nfs/dbraw/zinc/07/18/85/926071885.db2.gz LYRYGFWOXZAMTP-FRRDWIJNSA-N 1 1 324.385 -1.199 20 0 DAADMO O=C(NC[C@H](O)Cn1ccnn1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001413727515 926072160 /nfs/dbraw/zinc/07/21/60/926072160.db2.gz LYRYGFWOXZAMTP-RWMBFGLXSA-N 1 1 324.385 -1.199 20 0 DAADMO C[C@H](CNC(=O)N1C[C@H](CO)[C@H](O)C1)CN1CC[NH+](C)CC1 ZINC001413731253 926072765 /nfs/dbraw/zinc/07/27/65/926072765.db2.gz VFHIAWIRBDCHFR-MGPQQGTHSA-N 1 1 314.430 -1.136 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC001413745819 926073132 /nfs/dbraw/zinc/07/31/32/926073132.db2.gz DFALYYBUCZUCEG-SECBINFHSA-N 1 1 306.388 -1.611 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001413810037 926077390 /nfs/dbraw/zinc/07/73/90/926077390.db2.gz HQUANIZEGKTFIS-IRCOFANPSA-N 1 1 321.385 -1.366 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 ZINC001413816736 926078096 /nfs/dbraw/zinc/07/80/96/926078096.db2.gz QWBCRYFJFWCMGH-LLVKDONJSA-N 1 1 315.395 -1.175 20 0 DAADMO CNS(=O)(=O)C1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC001413848934 926078724 /nfs/dbraw/zinc/07/87/24/926078724.db2.gz UVZAJGHBWOSRGD-UHFFFAOYSA-N 1 1 318.443 -1.226 20 0 DAADMO C[NH+]1CCN(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001413849651 926078889 /nfs/dbraw/zinc/07/88/89/926078889.db2.gz OSFQPDNNRJZMOS-LBPRGKRZSA-N 1 1 305.400 -2.100 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CCS1(=O)=O ZINC001413900039 926082623 /nfs/dbraw/zinc/08/26/23/926082623.db2.gz JMHHTTHCQMVYKK-CKYFFXLPSA-N 1 1 305.400 -1.072 20 0 DAADMO C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CCS1(=O)=O ZINC001413900039 926082632 /nfs/dbraw/zinc/08/26/32/926082632.db2.gz JMHHTTHCQMVYKK-CKYFFXLPSA-N 1 1 305.400 -1.072 20 0 DAADMO NS(=O)(=O)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001413940030 926084664 /nfs/dbraw/zinc/08/46/64/926084664.db2.gz ZSDHHTOYEXIWOP-NSHDSACASA-N 1 1 320.415 -1.173 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)S(N)(=O)=O ZINC001413955660 926086823 /nfs/dbraw/zinc/08/68/23/926086823.db2.gz LJECXQQZSUHSHB-GARJFASQSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C)S(N)(=O)=O ZINC001413955660 926086835 /nfs/dbraw/zinc/08/68/35/926086835.db2.gz LJECXQQZSUHSHB-GARJFASQSA-N 1 1 321.447 -1.403 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C)S(N)(=O)=O ZINC001413955660 926086839 /nfs/dbraw/zinc/08/68/39/926086839.db2.gz LJECXQQZSUHSHB-GARJFASQSA-N 1 1 321.447 -1.403 20 0 DAADMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC001413958628 926088489 /nfs/dbraw/zinc/08/84/89/926088489.db2.gz SEUQDIFPQGFTHJ-MNOVXSKESA-N 1 1 307.416 -1.233 20 0 DAADMO CCOC(=O)C[C@@H](O)C[N@@H+](CCO)CCN1CCOCC1 ZINC001413965014 926089805 /nfs/dbraw/zinc/08/98/05/926089805.db2.gz UVQKUPXFDXOYAM-CYBMUJFWSA-N 1 1 304.387 -1.073 20 0 DAADMO Nc1nn2c(nc(C[N@H+]3CCC[C@@H](OCCO)C3)cc2=O)[nH]1 ZINC001413982061 926092039 /nfs/dbraw/zinc/09/20/39/926092039.db2.gz JATVWYYFMHCVCD-SNVBAGLBSA-N 1 1 308.342 -1.027 20 0 DAADMO NC(=O)C1([NH2+]CC(=O)NCC(=O)N2CCCC2)CCOCC1 ZINC001414014509 926093438 /nfs/dbraw/zinc/09/34/38/926093438.db2.gz QNPMJCHTJRNCIP-UHFFFAOYSA-N 1 1 312.370 -1.651 20 0 DAADMO Cn1c2ncn(CC[N@@H+](C)C(C)(C)C(N)=O)c2c(=O)n(C)c1=O ZINC001413999976 926093661 /nfs/dbraw/zinc/09/36/61/926093661.db2.gz HOTYYRNQGHHOGI-UHFFFAOYSA-N 1 1 322.369 -1.371 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC001413997566 926094764 /nfs/dbraw/zinc/09/47/64/926094764.db2.gz DNBHHYYUJBHLBX-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)CCN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC001413997566 926094769 /nfs/dbraw/zinc/09/47/69/926094769.db2.gz DNBHHYYUJBHLBX-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO CNC(=O)NC(=O)CCN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001413997566 926094778 /nfs/dbraw/zinc/09/47/78/926094778.db2.gz DNBHHYYUJBHLBX-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO O=S1(=O)C[C@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@H]2C1 ZINC001414032912 926097727 /nfs/dbraw/zinc/09/77/27/926097727.db2.gz FIDYMHJHZPKUEC-QNWHQSFQSA-N 1 1 305.396 -1.135 20 0 DAADMO O=S1(=O)C[C@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@H]2C1 ZINC001414032912 926097730 /nfs/dbraw/zinc/09/77/30/926097730.db2.gz FIDYMHJHZPKUEC-QNWHQSFQSA-N 1 1 305.396 -1.135 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099557 /nfs/dbraw/zinc/09/95/57/926099557.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099563 /nfs/dbraw/zinc/09/95/63/926099563.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 1 1 323.459 -1.203 20 0 DAADMO COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001414040680 926099570 /nfs/dbraw/zinc/09/95/70/926099570.db2.gz VPAGAZFPGRXQSI-CHWSQXEVSA-N 1 1 323.459 -1.203 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001414039900 926099799 /nfs/dbraw/zinc/09/97/99/926099799.db2.gz ZPRPMRSVBIBIQE-UTLUCORTSA-N 1 1 321.399 -1.480 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001414045701 926101113 /nfs/dbraw/zinc/10/11/13/926101113.db2.gz MVRVQKQJHSXZRJ-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC001414048994 926103003 /nfs/dbraw/zinc/10/30/03/926103003.db2.gz DGUPRCKAPILJES-MNOVXSKESA-N 1 1 311.342 -1.289 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1O ZINC001414059554 926103871 /nfs/dbraw/zinc/10/38/71/926103871.db2.gz HLYWOWSDAKUHJS-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001414057499 926104050 /nfs/dbraw/zinc/10/40/50/926104050.db2.gz YYUJHKMKOPOSPR-NEPJUHHUSA-N 1 1 324.385 -1.162 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C(=O)OC ZINC001414057545 926104249 /nfs/dbraw/zinc/10/42/49/926104249.db2.gz DMSMTROIHXYZER-OCAPTIKFSA-N 1 1 301.299 -1.535 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001414065745 926105374 /nfs/dbraw/zinc/10/53/74/926105374.db2.gz RSRNDSIKPFHLCC-DTORHVGOSA-N 1 1 315.326 -1.274 20 0 DAADMO C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)CC1 ZINC001414060859 926105551 /nfs/dbraw/zinc/10/55/51/926105551.db2.gz XBWRHCOYQNXUAE-ZJUUUORDSA-N 1 1 322.369 -1.552 20 0 DAADMO C[NH+](C)CC1(C(=O)N2C[C@@H](NC(=O)c3nc[nH]n3)[C@@H](O)C2)CC1 ZINC001414060859 926105559 /nfs/dbraw/zinc/10/55/59/926105559.db2.gz XBWRHCOYQNXUAE-ZJUUUORDSA-N 1 1 322.369 -1.552 20 0 DAADMO COC(=O)C[C@]1([NH2+]Cc2cn(CC(N)=O)nn2)CCCOC1 ZINC001414149118 926109194 /nfs/dbraw/zinc/10/91/94/926109194.db2.gz WTPPPAWTPRZOBI-CYBMUJFWSA-N 1 1 311.342 -1.035 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414542514 926130453 /nfs/dbraw/zinc/13/04/53/926130453.db2.gz TXHSWCKCMUFQQW-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCc2nnnn2CC1 ZINC001414558565 926132562 /nfs/dbraw/zinc/13/25/62/926132562.db2.gz SYRGSOFJPULWRM-RYUDHWBXSA-N 1 1 322.417 -1.077 20 0 DAADMO CN(CCS(N)(=O)=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001414557183 926132585 /nfs/dbraw/zinc/13/25/85/926132585.db2.gz APIIHFKCDNHKAI-GHMZBOCLSA-N 1 1 320.415 -1.221 20 0 DAADMO O=C(NCCC1CS(=O)(=O)C1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001414614312 926135433 /nfs/dbraw/zinc/13/54/33/926135433.db2.gz MMTCXIJQLXPEGL-NSHDSACASA-N 1 1 305.400 -1.213 20 0 DAADMO COCC(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001414733081 926144341 /nfs/dbraw/zinc/14/43/41/926144341.db2.gz JTOFPAWBICFCQN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001414791514 926147669 /nfs/dbraw/zinc/14/76/69/926147669.db2.gz AUFRNZPCBVSNPU-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)CNC(N)=O)C2)C1 ZINC001414791720 926147788 /nfs/dbraw/zinc/14/77/88/926147788.db2.gz WVGBUSLAEUVPDZ-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001414800095 926148817 /nfs/dbraw/zinc/14/88/17/926148817.db2.gz SYUOMDDJDRZXNN-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001415002991 926156767 /nfs/dbraw/zinc/15/67/67/926156767.db2.gz XZVQZVVMUSNOAU-UKKRHICBSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132746 926163630 /nfs/dbraw/zinc/16/36/30/926163630.db2.gz ITEHFTDUAPTEMD-ZJUUUORDSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132746 926163636 /nfs/dbraw/zinc/16/36/36/926163636.db2.gz ITEHFTDUAPTEMD-ZJUUUORDSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001415131324 926163802 /nfs/dbraw/zinc/16/38/02/926163802.db2.gz DAFXERZHMBGBTL-KOLCDFICSA-N 1 1 323.353 -1.665 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1c[nH]c(=O)cn1 ZINC001415131324 926163809 /nfs/dbraw/zinc/16/38/09/926163809.db2.gz DAFXERZHMBGBTL-KOLCDFICSA-N 1 1 323.353 -1.665 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415132881 926164249 /nfs/dbraw/zinc/16/42/49/926164249.db2.gz KFWMCICYLZFMSA-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415132881 926164257 /nfs/dbraw/zinc/16/42/57/926164257.db2.gz KFWMCICYLZFMSA-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132743 926164313 /nfs/dbraw/zinc/16/43/13/926164313.db2.gz ITEHFTDUAPTEMD-UWVGGRQHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132743 926164318 /nfs/dbraw/zinc/16/43/18/926164318.db2.gz ITEHFTDUAPTEMD-UWVGGRQHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134788 926164452 /nfs/dbraw/zinc/16/44/52/926164452.db2.gz VPXIQGXTGWJLAT-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1nccn1 ZINC001415134788 926164460 /nfs/dbraw/zinc/16/44/60/926164460.db2.gz VPXIQGXTGWJLAT-MNOVXSKESA-N 1 1 310.358 -1.770 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001415134344 926164637 /nfs/dbraw/zinc/16/46/37/926164637.db2.gz TZXWJSBXLBNFHJ-MWLCHTKSSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cnn(C)c1N ZINC001415134344 926164640 /nfs/dbraw/zinc/16/46/40/926164640.db2.gz TZXWJSBXLBNFHJ-MWLCHTKSSA-N 1 1 324.385 -1.433 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132735 926164689 /nfs/dbraw/zinc/16/46/89/926164689.db2.gz ITEHFTDUAPTEMD-NXEZZACHSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001415132735 926164693 /nfs/dbraw/zinc/16/46/93/926164693.db2.gz ITEHFTDUAPTEMD-NXEZZACHSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001415151761 926165878 /nfs/dbraw/zinc/16/58/78/926165878.db2.gz KUBIKDYPJGVJTH-PSASIEDQSA-N 1 1 309.326 -1.079 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001415151764 926165936 /nfs/dbraw/zinc/16/59/36/926165936.db2.gz KUBIKDYPJGVJTH-WCBMZHEXSA-N 1 1 309.326 -1.079 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001415175036 926166940 /nfs/dbraw/zinc/16/69/40/926166940.db2.gz CHYMZOGSDWCCDO-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001415175036 926166946 /nfs/dbraw/zinc/16/69/46/926166946.db2.gz CHYMZOGSDWCCDO-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC001415241431 926172036 /nfs/dbraw/zinc/17/20/36/926172036.db2.gz JWEHTNYBNIUZOW-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC001415241431 926172043 /nfs/dbraw/zinc/17/20/43/926172043.db2.gz JWEHTNYBNIUZOW-UHFFFAOYSA-N 1 1 315.337 -1.243 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)C1 ZINC001415313327 926176111 /nfs/dbraw/zinc/17/61/11/926176111.db2.gz IEJAQCKCHADJRY-LLVKDONJSA-N 1 1 313.402 -1.040 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)NC(=O)CNC(N)=O ZINC001415389991 926178459 /nfs/dbraw/zinc/17/84/59/926178459.db2.gz BRYFQIHGAJJCDE-SECBINFHSA-N 1 1 310.358 -1.129 20 0 DAADMO C[C@H](CCNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001415429333 926180163 /nfs/dbraw/zinc/18/01/63/926180163.db2.gz QEXHSKCLKDGWDM-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@H](CCNC(=O)Cn1cncn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001415429333 926180167 /nfs/dbraw/zinc/18/01/67/926180167.db2.gz QEXHSKCLKDGWDM-VXGBXAGGSA-N 1 1 324.385 -1.380 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)n1cncn1 ZINC001415463566 926182989 /nfs/dbraw/zinc/18/29/89/926182989.db2.gz ABQFFSJFYALDNC-RYUDHWBXSA-N 1 1 324.385 -1.256 20 0 DAADMO C[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)n1cncn1 ZINC001415463566 926182994 /nfs/dbraw/zinc/18/29/94/926182994.db2.gz ABQFFSJFYALDNC-RYUDHWBXSA-N 1 1 324.385 -1.256 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cn1cccn1 ZINC001415464193 926183001 /nfs/dbraw/zinc/18/30/01/926183001.db2.gz GJFKULMIGPMVAI-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cn1cccn1 ZINC001415464193 926183006 /nfs/dbraw/zinc/18/30/06/926183006.db2.gz GJFKULMIGPMVAI-GFCCVEGCSA-N 1 1 309.370 -1.212 20 0 DAADMO CN(CCNC(=O)c1nccnc1N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415462632 926184064 /nfs/dbraw/zinc/18/40/64/926184064.db2.gz LMRJCQPBTVQIQT-JTQLQIEISA-N 1 1 322.369 -1.422 20 0 DAADMO CN(CCNC(=O)c1nccnc1N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415462632 926184069 /nfs/dbraw/zinc/18/40/69/926184069.db2.gz LMRJCQPBTVQIQT-JTQLQIEISA-N 1 1 322.369 -1.422 20 0 DAADMO CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1CCC[N@H+]1C ZINC001415471328 926185351 /nfs/dbraw/zinc/18/53/51/926185351.db2.gz XCCMNWQBAWBNLJ-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CNC(=O)N1 ZINC001415468872 926185526 /nfs/dbraw/zinc/18/55/26/926185526.db2.gz HTYXKIGMSXYXTP-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CNC(=O)N1 ZINC001415468872 926185530 /nfs/dbraw/zinc/18/55/30/926185530.db2.gz HTYXKIGMSXYXTP-VHSXEESVSA-N 1 1 313.358 -2.427 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001415468260 926185566 /nfs/dbraw/zinc/18/55/66/926185566.db2.gz FKDNDHCKDYYMME-RYUDHWBXSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@H](OC)C(=O)N(C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001415468260 926185568 /nfs/dbraw/zinc/18/55/68/926185568.db2.gz FKDNDHCKDYYMME-RYUDHWBXSA-N 1 1 317.386 -1.447 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001415483412 926186373 /nfs/dbraw/zinc/18/63/73/926186373.db2.gz CCNHAMQRUFVHQR-JTQLQIEISA-N 1 1 309.326 -1.125 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001415483413 926186886 /nfs/dbraw/zinc/18/68/86/926186886.db2.gz CCNHAMQRUFVHQR-SNVBAGLBSA-N 1 1 309.326 -1.125 20 0 DAADMO CNC(=O)NCCC(=O)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001415485874 926187189 /nfs/dbraw/zinc/18/71/89/926187189.db2.gz AJWQHHYMUDLIBM-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncn(C)c1=O ZINC001415575630 926194844 /nfs/dbraw/zinc/19/48/44/926194844.db2.gz WLGKPVWXDVQJTK-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(CCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415573478 926194900 /nfs/dbraw/zinc/19/49/00/926194900.db2.gz MKMOMESAODPAFT-WDEREUQCSA-N 1 1 311.386 -1.464 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CNC(C)=O ZINC001415654943 926200627 /nfs/dbraw/zinc/20/06/27/926200627.db2.gz JMKZCUCOKVFVBM-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CNC(C)=O ZINC001415654943 926200637 /nfs/dbraw/zinc/20/06/37/926200637.db2.gz JMKZCUCOKVFVBM-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ncnn1 ZINC001415697714 926202163 /nfs/dbraw/zinc/20/21/63/926202163.db2.gz NHBYXENADJXCHP-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO CCN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)CC[N@@H+](C)CC ZINC001415714499 926202408 /nfs/dbraw/zinc/20/24/08/926202408.db2.gz FZPYGJPWOMRMPB-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO Cn1cnnc1CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001415817848 926205564 /nfs/dbraw/zinc/20/55/64/926205564.db2.gz PBBKKLZOVPMPJO-LBPRGKRZSA-N 1 1 308.386 -1.210 20 0 DAADMO Cn1cnnc1CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001415817848 926205573 /nfs/dbraw/zinc/20/55/73/926205573.db2.gz PBBKKLZOVPMPJO-LBPRGKRZSA-N 1 1 308.386 -1.210 20 0 DAADMO O=C(Cn1cnnn1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001415808813 926205624 /nfs/dbraw/zinc/20/56/24/926205624.db2.gz TXTLTJLLVKBSSP-LBPRGKRZSA-N 1 1 320.357 -1.925 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001415970342 926209721 /nfs/dbraw/zinc/20/97/21/926209721.db2.gz PWCSYCIIUNBSMN-CABZTGNLSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001415970342 926209729 /nfs/dbraw/zinc/20/97/29/926209729.db2.gz PWCSYCIIUNBSMN-CABZTGNLSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001415970344 926210132 /nfs/dbraw/zinc/21/01/32/926210132.db2.gz PWCSYCIIUNBSMN-SKDRFNHKSA-N 1 1 312.370 -1.831 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001415970344 926210140 /nfs/dbraw/zinc/21/01/40/926210140.db2.gz PWCSYCIIUNBSMN-SKDRFNHKSA-N 1 1 312.370 -1.831 20 0 DAADMO CNC(=O)NCC(=O)N1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001416030581 926219795 /nfs/dbraw/zinc/21/97/95/926219795.db2.gz CDYBTXXMQCDJIM-HNNXBMFYSA-N 1 1 323.397 -1.272 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC001416050399 926222484 /nfs/dbraw/zinc/22/24/84/926222484.db2.gz PJOYPNBZQZBALE-UHFFFAOYSA-N 1 1 305.400 -1.300 20 0 DAADMO C[N@@H+](CC(=O)NCC1CN(C(=O)[C@H]2CNC(=O)N2)C1)C1CCC1 ZINC001416095346 926227278 /nfs/dbraw/zinc/22/72/78/926227278.db2.gz BUXHPFYSCVJZRQ-GFCCVEGCSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001416125380 926230183 /nfs/dbraw/zinc/23/01/83/926230183.db2.gz BKVZJOBODFPMGG-SNVBAGLBSA-N 1 1 311.386 -1.429 20 0 DAADMO CC[C@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001416226317 926234690 /nfs/dbraw/zinc/23/46/90/926234690.db2.gz UHTCRHJIJSFOFK-MNOVXSKESA-N 1 1 322.369 -1.116 20 0 DAADMO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cnnn1 ZINC001416226336 926234712 /nfs/dbraw/zinc/23/47/12/926234712.db2.gz VAKALJCVVIMCMU-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001416475371 926241624 /nfs/dbraw/zinc/24/16/24/926241624.db2.gz SVEHDTLFFQMCNI-RYUDHWBXSA-N 1 1 323.401 -1.117 20 0 DAADMO COCC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001416705210 926247516 /nfs/dbraw/zinc/24/75/16/926247516.db2.gz GMNMCSZYWHSKRK-YPMHNXCESA-N 1 1 324.381 -1.006 20 0 DAADMO COCC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001416714300 926248439 /nfs/dbraw/zinc/24/84/39/926248439.db2.gz ZLANDDMCRAXKFT-SDDRHHMPSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724011 926250409 /nfs/dbraw/zinc/25/04/09/926250409.db2.gz CXQXAHYMHLJGMU-PWSUYJOCSA-N 1 1 310.354 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc[nH]2)C1 ZINC001416724011 926250414 /nfs/dbraw/zinc/25/04/14/926250414.db2.gz CXQXAHYMHLJGMU-PWSUYJOCSA-N 1 1 310.354 -1.448 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001416726855 926251322 /nfs/dbraw/zinc/25/13/22/926251322.db2.gz HAYXDGQSEFGCRE-GFCCVEGCSA-N 1 1 311.386 -1.031 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001416730051 926253197 /nfs/dbraw/zinc/25/31/97/926253197.db2.gz JLQICZYAJMMKMX-RYUDHWBXSA-N 1 1 314.386 -1.848 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001416730103 926253376 /nfs/dbraw/zinc/25/33/76/926253376.db2.gz JUNGCIQYZWTCNX-QWHCGFSZSA-N 1 1 323.397 -1.039 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001416730055 926253550 /nfs/dbraw/zinc/25/35/50/926253550.db2.gz JLQICZYAJMMKMX-VXGBXAGGSA-N 1 1 314.386 -1.848 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001416732246 926254430 /nfs/dbraw/zinc/25/44/30/926254430.db2.gz CNRANEHZPVLPND-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416736899 926255869 /nfs/dbraw/zinc/25/58/69/926255869.db2.gz GAIJLKAWOXTDRT-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(C)OCC(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416736899 926255879 /nfs/dbraw/zinc/25/58/79/926255879.db2.gz GAIJLKAWOXTDRT-NEPJUHHUSA-N 1 1 317.386 -1.665 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001416738584 926257343 /nfs/dbraw/zinc/25/73/43/926257343.db2.gz FMIHZFPSKWYSIB-RYUDHWBXSA-N 1 1 309.370 -1.429 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001416736946 926257924 /nfs/dbraw/zinc/25/79/24/926257924.db2.gz BUIAAEJUOGLRIN-ZYHUDNBSSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001416742228 926258432 /nfs/dbraw/zinc/25/84/32/926258432.db2.gz ZSHQVDUYVGDOEB-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001416742228 926258439 /nfs/dbraw/zinc/25/84/39/926258439.db2.gz ZSHQVDUYVGDOEB-AAEUAGOBSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001416740375 926258742 /nfs/dbraw/zinc/25/87/42/926258742.db2.gz JWBGIYHHBVWDRI-GXSJLCMTSA-N 1 1 323.353 -1.517 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)Cc1ccon1 ZINC001416742608 926258904 /nfs/dbraw/zinc/25/89/04/926258904.db2.gz NDHCIVRROBMQBS-NEPJUHHUSA-N 1 1 310.354 -1.095 20 0 DAADMO Cc1cncn1CC(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416742500 926259343 /nfs/dbraw/zinc/25/93/43/926259343.db2.gz MRBLQOLANVFGIS-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001416741165 926259611 /nfs/dbraw/zinc/25/96/11/926259611.db2.gz LBIMEBBWAJIDSD-VHSXEESVSA-N 1 1 310.358 -1.884 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001416755586 926264940 /nfs/dbraw/zinc/26/49/40/926264940.db2.gz DRBUHVHFUGRAFR-LBPRGKRZSA-N 1 1 320.353 -1.318 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001416757862 926265875 /nfs/dbraw/zinc/26/58/75/926265875.db2.gz AKGZFESXWCPVOO-JTQLQIEISA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)Cn2nccn2)C1 ZINC001416758065 926267619 /nfs/dbraw/zinc/26/76/19/926267619.db2.gz LRAXZJIEGSXIOS-GHMZBOCLSA-N 1 1 310.358 -2.177 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001416760663 926267979 /nfs/dbraw/zinc/26/79/79/926267979.db2.gz WHFNMNUAILFMNR-LLVKDONJSA-N 1 1 311.386 -1.031 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)CC[N@H+]1C ZINC001416765186 926269629 /nfs/dbraw/zinc/26/96/29/926269629.db2.gz QJQDVEWWPGAPED-GRYCIOLGSA-N 1 1 324.385 -1.788 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001416771824 926271858 /nfs/dbraw/zinc/27/18/58/926271858.db2.gz RUTIIPFWHLVTCN-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771824 926271865 /nfs/dbraw/zinc/27/18/65/926271865.db2.gz RUTIIPFWHLVTCN-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001416771824 926271872 /nfs/dbraw/zinc/27/18/72/926271872.db2.gz RUTIIPFWHLVTCN-MNOVXSKESA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001416778083 926275130 /nfs/dbraw/zinc/27/51/30/926275130.db2.gz OITMENOORRFYHK-ZJUUUORDSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1CS(=O)(=O)C1 ZINC001416816584 926278635 /nfs/dbraw/zinc/27/86/35/926278635.db2.gz WSBKXTBJGGHGJZ-NXEZZACHSA-N 1 1 317.411 -1.396 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001416822612 926279726 /nfs/dbraw/zinc/27/97/26/926279726.db2.gz LQEUSMAHIXRPMV-NXEZZACHSA-N 1 1 315.374 -2.133 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001416822612 926279732 /nfs/dbraw/zinc/27/97/32/926279732.db2.gz LQEUSMAHIXRPMV-NXEZZACHSA-N 1 1 315.374 -2.133 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001416835645 926281600 /nfs/dbraw/zinc/28/16/00/926281600.db2.gz QFVUBKZIMDQSNE-SCZZXKLOSA-N 1 1 310.358 -1.131 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)CCNC(N)=O ZINC001416892892 926286494 /nfs/dbraw/zinc/28/64/94/926286494.db2.gz JWXMCXYLFZYJNK-VIFPVBQESA-N 1 1 310.358 -1.129 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1 ZINC001417066910 926298174 /nfs/dbraw/zinc/29/81/74/926298174.db2.gz VLIYFLJHLJKKHG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417253104 926309517 /nfs/dbraw/zinc/30/95/17/926309517.db2.gz RVHWTKFKEUWKKL-JTQLQIEISA-N 1 1 311.386 -1.464 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC001417250020 926309550 /nfs/dbraw/zinc/30/95/50/926309550.db2.gz BSAIAVXMSXPUTK-UHFFFAOYSA-N 1 1 309.374 -1.316 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001417309122 926312464 /nfs/dbraw/zinc/31/24/64/926312464.db2.gz SJYCEVQYLKWMCQ-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001417429164 926315194 /nfs/dbraw/zinc/31/51/94/926315194.db2.gz OYQUAPSGILHQEJ-RISCZKNCSA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001417429164 926315203 /nfs/dbraw/zinc/31/52/03/926315203.db2.gz OYQUAPSGILHQEJ-RISCZKNCSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001417446444 926316876 /nfs/dbraw/zinc/31/68/76/926316876.db2.gz LXSVLLFFBLKNTJ-IUCAKERBSA-N 1 1 305.346 -1.411 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)C1 ZINC001417600704 926319304 /nfs/dbraw/zinc/31/93/04/926319304.db2.gz ZWOFMFSUYWWTBN-WDEREUQCSA-N 1 1 302.375 -1.511 20 0 DAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001417598284 926319729 /nfs/dbraw/zinc/31/97/29/926319729.db2.gz MIFDPTVJSOEQQG-JHJVBQTASA-N 1 1 321.381 -1.316 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001417619770 926321476 /nfs/dbraw/zinc/32/14/76/926321476.db2.gz ISXNFDSATAMLGZ-ZJUUUORDSA-N 1 1 307.358 -1.469 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001417648181 926324093 /nfs/dbraw/zinc/32/40/93/926324093.db2.gz CZNDLPJWWUEUMQ-CMPLNLGQSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001417648181 926324107 /nfs/dbraw/zinc/32/41/07/926324107.db2.gz CZNDLPJWWUEUMQ-CMPLNLGQSA-N 1 1 313.402 -2.011 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001417648181 926324116 /nfs/dbraw/zinc/32/41/16/926324116.db2.gz CZNDLPJWWUEUMQ-CMPLNLGQSA-N 1 1 313.402 -2.011 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCn1ncn(C)c1=O ZINC001417735776 926333523 /nfs/dbraw/zinc/33/35/23/926333523.db2.gz FZOLWXAKKPCTFT-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001417760601 926334490 /nfs/dbraw/zinc/33/44/90/926334490.db2.gz PXIBQEVNIDAJBQ-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001417749154 926335854 /nfs/dbraw/zinc/33/58/54/926335854.db2.gz JWSHAJQVUXBKAW-CHWSQXEVSA-N 1 1 312.414 -1.326 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758124 926335970 /nfs/dbraw/zinc/33/59/70/926335970.db2.gz XKAXIUFNSVDQEV-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001417758124 926335982 /nfs/dbraw/zinc/33/59/82/926335982.db2.gz XKAXIUFNSVDQEV-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CO[C@@H](C)C(=O)NCc1nc(C[NH2+][C@H](C)C(N)=O)cc(=O)[nH]1 ZINC001417820840 926338806 /nfs/dbraw/zinc/33/88/06/926338806.db2.gz XGSMFEIXTNWVDV-SFYZADRCSA-N 1 1 311.342 -1.203 20 0 DAADMO COCC(=O)NCc1nc(C[NH2+]CC(=O)N(C)C)cc(=O)[nH]1 ZINC001417819545 926339302 /nfs/dbraw/zinc/33/93/02/926339302.db2.gz OOGQHSMYBBJWHZ-UHFFFAOYSA-N 1 1 311.342 -1.377 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCNC(N)=O)C2)n1 ZINC001417813909 926339333 /nfs/dbraw/zinc/33/93/33/926339333.db2.gz OCVCVKVXEQZQMN-VHSXEESVSA-N 1 1 324.389 -1.357 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001417838570 926339990 /nfs/dbraw/zinc/33/99/90/926339990.db2.gz ZTHMBMQAOHIOHK-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001417838570 926340000 /nfs/dbraw/zinc/34/00/00/926340000.db2.gz ZTHMBMQAOHIOHK-SECBINFHSA-N 1 1 313.383 -1.078 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001417843887 926340071 /nfs/dbraw/zinc/34/00/71/926340071.db2.gz SKGZOEVOYMVNEO-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001417843887 926340081 /nfs/dbraw/zinc/34/00/81/926340081.db2.gz SKGZOEVOYMVNEO-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@@H+]1CC(N)=O ZINC001417849831 926340531 /nfs/dbraw/zinc/34/05/31/926340531.db2.gz QDKYGXNEPURLRA-BDAKNGLRSA-N 1 1 306.388 -1.881 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CC[N@H+]1CC(N)=O ZINC001417849831 926340540 /nfs/dbraw/zinc/34/05/40/926340540.db2.gz QDKYGXNEPURLRA-BDAKNGLRSA-N 1 1 306.388 -1.881 20 0 DAADMO CNC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001417845277 926340964 /nfs/dbraw/zinc/34/09/64/926340964.db2.gz UKIALUZUVHQNLR-SNVBAGLBSA-N 1 1 311.342 -1.286 20 0 DAADMO CNC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001417845277 926340973 /nfs/dbraw/zinc/34/09/73/926340973.db2.gz UKIALUZUVHQNLR-SNVBAGLBSA-N 1 1 311.342 -1.286 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)NC)CC[N@H+]1C[C@@H](C)O ZINC001417825532 926341144 /nfs/dbraw/zinc/34/11/44/926341144.db2.gz PBHSESCOUNVARP-OUAUKWLOSA-N 1 1 322.431 -1.610 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001417834147 926341309 /nfs/dbraw/zinc/34/13/09/926341309.db2.gz XORUXCMKEVRVKK-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001417834147 926341318 /nfs/dbraw/zinc/34/13/18/926341318.db2.gz XORUXCMKEVRVKK-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@@H]([N@H+](CCO)CC(N)=O)C1 ZINC001417840227 926341669 /nfs/dbraw/zinc/34/16/69/926341669.db2.gz HOWRSGFYJLGHEL-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001417840227 926341681 /nfs/dbraw/zinc/34/16/81/926341681.db2.gz HOWRSGFYJLGHEL-VXGBXAGGSA-N 1 1 317.386 -1.582 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](N(CCO)CC(N)=O)C1 ZINC001417833594 926342023 /nfs/dbraw/zinc/34/20/23/926342023.db2.gz JUEFRSLZHKJRMX-CHWSQXEVSA-N 1 1 312.414 -1.149 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001417853111 926342272 /nfs/dbraw/zinc/34/22/72/926342272.db2.gz YHBQVVISOPTLEL-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1CC(=O)NC(N)=O ZINC001417853111 926342276 /nfs/dbraw/zinc/34/22/76/926342276.db2.gz YHBQVVISOPTLEL-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCNC(N)=O)[C@H]1C ZINC001417852145 926342309 /nfs/dbraw/zinc/34/23/09/926342309.db2.gz OZRMTWFXHMIVHQ-VWYCJHECSA-N 1 1 302.375 -1.369 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)C[C@@H]2C1 ZINC001417844167 926342417 /nfs/dbraw/zinc/34/24/17/926342417.db2.gz YKRNWYWQIQCQFL-MNOVXSKESA-N 1 1 311.386 -1.429 20 0 DAADMO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001417839228 926342438 /nfs/dbraw/zinc/34/24/38/926342438.db2.gz GCABSKFERBTESD-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CC(=O)NCC(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001417861485 926343639 /nfs/dbraw/zinc/34/36/39/926343639.db2.gz DZTJLEKJBHWNIY-LLVKDONJSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CC[NH+](C)CC1 ZINC001417889157 926345176 /nfs/dbraw/zinc/34/51/76/926345176.db2.gz NMDMEVPIWMUIHM-JHJVBQTASA-N 1 1 310.398 -1.262 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001417910357 926346413 /nfs/dbraw/zinc/34/64/13/926346413.db2.gz MAUWEYSWATUXAS-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001417910357 926346419 /nfs/dbraw/zinc/34/64/19/926346419.db2.gz MAUWEYSWATUXAS-NEPJUHHUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001417912267 926347151 /nfs/dbraw/zinc/34/71/51/926347151.db2.gz YQHZBIXLOBZWGM-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001417913049 926347456 /nfs/dbraw/zinc/34/74/56/926347456.db2.gz SORYKDGODKYZEY-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001417913049 926347466 /nfs/dbraw/zinc/34/74/66/926347466.db2.gz SORYKDGODKYZEY-GHMZBOCLSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001417933843 926351629 /nfs/dbraw/zinc/35/16/29/926351629.db2.gz MFHBASBJQXPFPF-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001417933843 926351635 /nfs/dbraw/zinc/35/16/35/926351635.db2.gz MFHBASBJQXPFPF-UWVGGRQHSA-N 1 1 323.357 -1.558 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001417938863 926352566 /nfs/dbraw/zinc/35/25/66/926352566.db2.gz ITUBRLURDKGDNP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001417938863 926352577 /nfs/dbraw/zinc/35/25/77/926352577.db2.gz ITUBRLURDKGDNP-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001417944684 926352719 /nfs/dbraw/zinc/35/27/19/926352719.db2.gz BWJLWGUACITBAO-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001417944684 926352730 /nfs/dbraw/zinc/35/27/30/926352730.db2.gz BWJLWGUACITBAO-NSHDSACASA-N 1 1 311.386 -1.142 20 0 DAADMO CCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001417944811 926353324 /nfs/dbraw/zinc/35/33/24/926353324.db2.gz ODXPFVOVILYMKI-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)C1CC1 ZINC001417944811 926353333 /nfs/dbraw/zinc/35/33/33/926353333.db2.gz ODXPFVOVILYMKI-CMPLNLGQSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001417952003 926353617 /nfs/dbraw/zinc/35/36/17/926353617.db2.gz HOWXOTWKVWKDPL-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001417952003 926353626 /nfs/dbraw/zinc/35/36/26/926353626.db2.gz HOWXOTWKVWKDPL-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001417939379 926354086 /nfs/dbraw/zinc/35/40/86/926354086.db2.gz FZYOOTCRWLQSQD-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]([NH2+]Cc2nnnn2C)C2CC2)n1 ZINC001417977454 926356237 /nfs/dbraw/zinc/35/62/37/926356237.db2.gz HJJBNVUUBXGAHG-VIFPVBQESA-N 1 1 305.346 -1.363 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)CN1CCCC1)C1CC1 ZINC001418010664 926357951 /nfs/dbraw/zinc/35/79/51/926357951.db2.gz ANGDRVCURZPTQB-NSHDSACASA-N 1 1 311.386 -1.239 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001418045174 926360190 /nfs/dbraw/zinc/36/01/90/926360190.db2.gz UXMSNTNSQXRYMH-JTQLQIEISA-N 1 1 313.383 -1.284 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC001418072140 926362506 /nfs/dbraw/zinc/36/25/06/926362506.db2.gz MFSHSELDJOLRLI-WDEREUQCSA-N 1 1 310.354 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001418123707 926365714 /nfs/dbraw/zinc/36/57/14/926365714.db2.gz GDMGPPGVLBXTDO-JTQLQIEISA-N 1 1 323.353 -1.738 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001418123707 926365720 /nfs/dbraw/zinc/36/57/20/926365720.db2.gz GDMGPPGVLBXTDO-JTQLQIEISA-N 1 1 323.353 -1.738 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001418109312 926365916 /nfs/dbraw/zinc/36/59/16/926365916.db2.gz NQFYMVBDHFBVIK-AOOOYVTPSA-N 1 1 309.374 -1.138 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001418119451 926366507 /nfs/dbraw/zinc/36/65/07/926366507.db2.gz BUWZPNNNAXQARU-OLZOCXBDSA-N 1 1 301.387 -1.042 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001418120970 926366793 /nfs/dbraw/zinc/36/67/93/926366793.db2.gz AUCJNWCTZIHHJL-CYBMUJFWSA-N 1 1 312.414 -1.371 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001418107533 926367064 /nfs/dbraw/zinc/36/70/64/926367064.db2.gz IUOBHEHYXDAJAV-PHIMTYICSA-N 1 1 324.385 -1.031 20 0 DAADMO CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001418123505 926367212 /nfs/dbraw/zinc/36/72/12/926367212.db2.gz NKBKBHKDXXOPBQ-NSHDSACASA-N 1 1 309.374 -1.363 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204540 926369862 /nfs/dbraw/zinc/36/98/62/926369862.db2.gz BCOAGILTWFDKOE-JQWIXIFHSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NCc1nnnn1C1CC1 ZINC001418204540 926369873 /nfs/dbraw/zinc/36/98/73/926369873.db2.gz BCOAGILTWFDKOE-JQWIXIFHSA-N 1 1 323.401 -1.067 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001418180973 926371161 /nfs/dbraw/zinc/37/11/61/926371161.db2.gz IVNXOHIGDYVSST-FPYNETTCSA-N 1 1 308.382 -1.164 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001418217059 926371610 /nfs/dbraw/zinc/37/16/10/926371610.db2.gz GZJPZCROVRLKIK-BDAKNGLRSA-N 1 1 314.321 -1.050 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](C)[NH2+]CCN2CCNC2=O)n[nH]1 ZINC001418220543 926372707 /nfs/dbraw/zinc/37/27/07/926372707.db2.gz FZOSQYFORHLGAI-SECBINFHSA-N 1 1 309.374 -1.225 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2nncn2C)nn1 ZINC001418223083 926372786 /nfs/dbraw/zinc/37/27/86/926372786.db2.gz SZAVBXIGRALIAP-SNVBAGLBSA-N 1 1 322.373 -1.039 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001418220780 926373144 /nfs/dbraw/zinc/37/31/44/926373144.db2.gz YHASRCGGZRNJCQ-BDAKNGLRSA-N 1 1 311.346 -1.214 20 0 DAADMO C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001418235593 926374705 /nfs/dbraw/zinc/37/47/05/926374705.db2.gz OEFBQVKGLWIGFW-QMMMGPOBSA-N 1 1 319.391 -2.304 20 0 DAADMO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[NH2+]Cc1cnn(C)n1 ZINC001418240823 926375476 /nfs/dbraw/zinc/37/54/76/926375476.db2.gz XWEXNZFQEWBYDY-SECBINFHSA-N 1 1 318.403 -1.699 20 0 DAADMO C[C@@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1cnns1 ZINC001418261915 926377053 /nfs/dbraw/zinc/37/70/53/926377053.db2.gz NBENQNGMHRIBIE-VIFPVBQESA-N 1 1 312.399 -1.436 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)[NH2+]Cc1ccon1 ZINC001418254462 926377259 /nfs/dbraw/zinc/37/72/59/926377259.db2.gz GYPCXEBSDMFVNY-QMMMGPOBSA-N 1 1 305.360 -1.677 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001418268658 926377711 /nfs/dbraw/zinc/37/77/11/926377711.db2.gz XFNMCNISKKYWQY-VHSXEESVSA-N 1 1 324.389 -1.251 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccon1)C(N)=O ZINC001418281370 926378339 /nfs/dbraw/zinc/37/83/39/926378339.db2.gz NZTWHNKCPTZGLX-KWQFWETISA-N 1 1 311.342 -1.351 20 0 DAADMO C[C@@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001418299727 926379153 /nfs/dbraw/zinc/37/91/53/926379153.db2.gz YQFUIMSDVNTFQA-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001418299727 926379164 /nfs/dbraw/zinc/37/91/64/926379164.db2.gz YQFUIMSDVNTFQA-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO COc1ncc(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)cn1 ZINC001418292304 926379325 /nfs/dbraw/zinc/37/93/25/926379325.db2.gz QRSUPJKISSHZGW-QMMMGPOBSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@@H](CNC(=O)CCc1c[nH]nn1)[NH2+]CCN1CCNC1=O ZINC001418279258 926380042 /nfs/dbraw/zinc/38/00/42/926380042.db2.gz FWOMKLDVPVWUTK-JTQLQIEISA-N 1 1 309.374 -1.143 20 0 DAADMO C[C@@H](CNC(=O)CCc1cnn[nH]1)[NH2+]CCN1CCNC1=O ZINC001418279258 926380049 /nfs/dbraw/zinc/38/00/49/926380049.db2.gz FWOMKLDVPVWUTK-JTQLQIEISA-N 1 1 309.374 -1.143 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001418317322 926380979 /nfs/dbraw/zinc/38/09/79/926380979.db2.gz VIBYJBAHMSYOPC-JGVFFNPUSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1ncnn1C ZINC001418311355 926381335 /nfs/dbraw/zinc/38/13/35/926381335.db2.gz AMEITQHILALFLJ-ZJUUUORDSA-N 1 1 315.399 -1.013 20 0 DAADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)Cn1nnc(N)n1 ZINC001418308954 926381661 /nfs/dbraw/zinc/38/16/61/926381661.db2.gz QETDNGMHVVVCQI-VHSXEESVSA-N 1 1 309.374 -1.129 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001418317325 926382033 /nfs/dbraw/zinc/38/20/33/926382033.db2.gz VIBYJBAHMSYOPC-SFYZADRCSA-N 1 1 319.391 -2.085 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001418354031 926384865 /nfs/dbraw/zinc/38/48/65/926384865.db2.gz FAKFCSYMSUKEPF-VXGBXAGGSA-N 1 1 312.374 -1.397 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418370169 926386012 /nfs/dbraw/zinc/38/60/12/926386012.db2.gz CTGJXJBQOQBCCK-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001418370169 926386026 /nfs/dbraw/zinc/38/60/26/926386026.db2.gz CTGJXJBQOQBCCK-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418375830 926386231 /nfs/dbraw/zinc/38/62/31/926386231.db2.gz ULQQFXATAKSOSY-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418375830 926386240 /nfs/dbraw/zinc/38/62/40/926386240.db2.gz ULQQFXATAKSOSY-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]([N@@H+](C)CCCO)C1 ZINC001418380397 926386366 /nfs/dbraw/zinc/38/63/66/926386366.db2.gz BYYXHHQOJPNMBJ-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C(=O)Nc1ccc(=O)n(CC(N)=O)c1)N1CC[NH+](C)CC1 ZINC001418368680 926386386 /nfs/dbraw/zinc/38/63/86/926386386.db2.gz XOOKUBBJBNLSBI-NSHDSACASA-N 1 1 321.381 -1.092 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001418375770 926386636 /nfs/dbraw/zinc/38/66/36/926386636.db2.gz PBIJSVREYOPZCR-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001418375770 926386644 /nfs/dbraw/zinc/38/66/44/926386644.db2.gz PBIJSVREYOPZCR-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001418376361 926386660 /nfs/dbraw/zinc/38/66/60/926386660.db2.gz POUJTBRYSHINJZ-BDAKNGLRSA-N 1 1 323.357 -1.076 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001418377141 926387057 /nfs/dbraw/zinc/38/70/57/926387057.db2.gz XWNQCXAHZXSLAC-GHMZBOCLSA-N 1 1 312.374 -1.246 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001418375926 926387359 /nfs/dbraw/zinc/38/73/59/926387359.db2.gz LZOTXOYDUZZVRP-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001418375926 926387366 /nfs/dbraw/zinc/38/73/66/926387366.db2.gz LZOTXOYDUZZVRP-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001418376597 926387615 /nfs/dbraw/zinc/38/76/15/926387615.db2.gz VFGDFEAZPYPPFA-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC(=O)NCC(=O)NCC[N@@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001418441378 926388145 /nfs/dbraw/zinc/38/81/45/926388145.db2.gz LGDNTQYUJUSLGE-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NCC[N@H+](C)C[C@H]1CCCS(=O)(=O)C1 ZINC001418441378 926388150 /nfs/dbraw/zinc/38/81/50/926388150.db2.gz LGDNTQYUJUSLGE-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO COC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001418446550 926389367 /nfs/dbraw/zinc/38/93/67/926389367.db2.gz PNRSDWJCHADXNU-JTQLQIEISA-N 1 1 321.399 -1.175 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001418446550 926389376 /nfs/dbraw/zinc/38/93/76/926389376.db2.gz PNRSDWJCHADXNU-JTQLQIEISA-N 1 1 321.399 -1.175 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@H+](C)CC(=O)NC(=O)NC ZINC001418463009 926390264 /nfs/dbraw/zinc/39/02/64/926390264.db2.gz KYQIZXVXKSEXIQ-UHFFFAOYSA-N 1 1 302.335 -2.581 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC ZINC001418463009 926390266 /nfs/dbraw/zinc/39/02/66/926390266.db2.gz KYQIZXVXKSEXIQ-UHFFFAOYSA-N 1 1 302.335 -2.581 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCN(C2CCC2)C1=O ZINC001418459189 926390306 /nfs/dbraw/zinc/39/03/06/926390306.db2.gz GJTLVABULJSENO-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)[C@@H]1CCN(C2CCC2)C1=O ZINC001418459189 926390309 /nfs/dbraw/zinc/39/03/09/926390309.db2.gz GJTLVABULJSENO-GFCCVEGCSA-N 1 1 321.385 -1.126 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001418464919 926390920 /nfs/dbraw/zinc/39/09/20/926390920.db2.gz ARRNOXJNLXBATN-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001418464919 926390929 /nfs/dbraw/zinc/39/09/29/926390929.db2.gz ARRNOXJNLXBATN-VIFPVBQESA-N 1 1 308.404 -1.892 20 0 DAADMO CC(C)N1CC[C@@H]([N@H+](C)CCNC(=O)Cn2ncnn2)C1=O ZINC001418461613 926391409 /nfs/dbraw/zinc/39/14/09/926391409.db2.gz QFWWRFMYVYPORC-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO CC(C)N1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2ncnn2)C1=O ZINC001418461613 926391417 /nfs/dbraw/zinc/39/14/17/926391417.db2.gz QFWWRFMYVYPORC-LLVKDONJSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)C[C@@H](O)Cn1cccn1 ZINC001418476653 926392612 /nfs/dbraw/zinc/39/26/12/926392612.db2.gz PPUQXUNYIUCULN-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CC[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001418482773 926393176 /nfs/dbraw/zinc/39/31/76/926393176.db2.gz PVXOXHYAPXXSHH-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO Cn1ccc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cc1=O ZINC001418472123 926393351 /nfs/dbraw/zinc/39/33/51/926393351.db2.gz XFESFXOSLXYWHM-UHFFFAOYSA-N 1 1 309.326 -1.758 20 0 DAADMO Cn1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cc1=O ZINC001418472123 926393357 /nfs/dbraw/zinc/39/33/57/926393357.db2.gz XFESFXOSLXYWHM-UHFFFAOYSA-N 1 1 309.326 -1.758 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)CN1CCCCS1(=O)=O ZINC001418479236 926393990 /nfs/dbraw/zinc/39/39/90/926393990.db2.gz WNNDYNJGMROAGL-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO Cc1cn2nc(C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)cc2c(=O)[nH]1 ZINC001418481142 926394019 /nfs/dbraw/zinc/39/40/19/926394019.db2.gz BBUUGHIIIUEVMM-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO Cc1cn2nc(C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)cc2c(=O)[nH]1 ZINC001418481142 926394027 /nfs/dbraw/zinc/39/40/27/926394027.db2.gz BBUUGHIIIUEVMM-VIFPVBQESA-N 1 1 320.353 -1.134 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CCc1cncnc1 ZINC001418477356 926394189 /nfs/dbraw/zinc/39/41/89/926394189.db2.gz BRYUVBOCNLINMU-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CCc1cncnc1 ZINC001418477356 926394199 /nfs/dbraw/zinc/39/41/99/926394199.db2.gz BRYUVBOCNLINMU-UHFFFAOYSA-N 1 1 322.369 -1.087 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001418479282 926394658 /nfs/dbraw/zinc/39/46/58/926394658.db2.gz XAVSWKIHJPPMHY-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO Cn1c(Cl)ncc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001418479282 926394665 /nfs/dbraw/zinc/39/46/65/926394665.db2.gz XAVSWKIHJPPMHY-UHFFFAOYSA-N 1 1 316.749 -1.070 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1CC(OC)C1 ZINC001418478157 926394800 /nfs/dbraw/zinc/39/48/00/926394800.db2.gz UVCXRGYNQLOSKC-UHFFFAOYSA-N 1 1 300.359 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1CC(OC)C1 ZINC001418478157 926394812 /nfs/dbraw/zinc/39/48/12/926394812.db2.gz UVCXRGYNQLOSKC-UHFFFAOYSA-N 1 1 300.359 -1.085 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488518 926395264 /nfs/dbraw/zinc/39/52/64/926395264.db2.gz PZTAKLPNYNPLCK-UWVGGRQHSA-N 1 1 320.415 -1.905 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418488518 926395272 /nfs/dbraw/zinc/39/52/72/926395272.db2.gz PZTAKLPNYNPLCK-UWVGGRQHSA-N 1 1 320.415 -1.905 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001418502967 926396002 /nfs/dbraw/zinc/39/60/02/926396002.db2.gz UHUSDMJUUFMYIT-NWDGAFQWSA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418495888 926396150 /nfs/dbraw/zinc/39/61/50/926396150.db2.gz KOXAMGSPRYMNSK-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001418495888 926396159 /nfs/dbraw/zinc/39/61/59/926396159.db2.gz KOXAMGSPRYMNSK-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CC[C@H](C[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1)OC ZINC001418486044 926396193 /nfs/dbraw/zinc/39/61/93/926396193.db2.gz CXCPHXCPONYXAF-GFCCVEGCSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418495322 926396328 /nfs/dbraw/zinc/39/63/28/926396328.db2.gz LHWILFCUALMZAN-BDAKNGLRSA-N 1 1 306.388 -2.295 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)CCNS(C)(=O)=O ZINC001418495322 926396336 /nfs/dbraw/zinc/39/63/36/926396336.db2.gz LHWILFCUALMZAN-BDAKNGLRSA-N 1 1 306.388 -2.295 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)CCNS(C)(=O)=O)C1 ZINC001418493962 926397199 /nfs/dbraw/zinc/39/71/99/926397199.db2.gz IWOMUUYSTGMQRD-LBPRGKRZSA-N 1 1 320.459 -1.075 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001418516014 926398058 /nfs/dbraw/zinc/39/80/58/926398058.db2.gz MSSSFAWKIIILAO-UWVGGRQHSA-N 1 1 313.362 -2.393 20 0 DAADMO CC(C)C[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001418511147 926398267 /nfs/dbraw/zinc/39/82/67/926398267.db2.gz FDTCBHGDPKRBLX-LLVKDONJSA-N 1 1 311.390 -1.118 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)[C@@H]1CCNC1=O ZINC001418513234 926398542 /nfs/dbraw/zinc/39/85/42/926398542.db2.gz QCNLNAZFKWVKEB-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1CCCCN1C(N)=O)[C@@H]1CCNC1=O ZINC001418513234 926398546 /nfs/dbraw/zinc/39/85/46/926398546.db2.gz QCNLNAZFKWVKEB-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC[N@H+](C)C[C@H](C)O ZINC001418513069 926398746 /nfs/dbraw/zinc/39/87/46/926398746.db2.gz MSSSFAWKIIILAO-VHSXEESVSA-N 1 1 313.362 -2.393 20 0 DAADMO C[N@H+](CCCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001418518730 926399237 /nfs/dbraw/zinc/39/92/37/926399237.db2.gz GWVAUXXVNXJLRC-UHFFFAOYSA-N 1 1 307.416 -1.853 20 0 DAADMO C[N@@H+](CCCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC001418518730 926399249 /nfs/dbraw/zinc/39/92/49/926399249.db2.gz GWVAUXXVNXJLRC-UHFFFAOYSA-N 1 1 307.416 -1.853 20 0 DAADMO CC[N@H+](CCNC(=O)[C@]12C[C@H]1COC2)CC(=O)NC(=O)NC ZINC001418550258 926401466 /nfs/dbraw/zinc/40/14/66/926401466.db2.gz VZCCQYBDMNHGGL-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@]12C[C@H]1COC2)CC(=O)NC(=O)NC ZINC001418550258 926401475 /nfs/dbraw/zinc/40/14/75/926401475.db2.gz VZCCQYBDMNHGGL-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)CC(N)=O ZINC001418547407 926402461 /nfs/dbraw/zinc/40/24/61/926402461.db2.gz JPRLJIAIMBBVJC-SNVBAGLBSA-N 1 1 322.369 -1.314 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)CC(N)=O ZINC001418547407 926402463 /nfs/dbraw/zinc/40/24/63/926402463.db2.gz JPRLJIAIMBBVJC-SNVBAGLBSA-N 1 1 322.369 -1.314 20 0 DAADMO CC[N@H+](CCNC(=O)CNC(=O)NC)[C@@H](C)C(=O)N(C)C ZINC001418544219 926402607 /nfs/dbraw/zinc/40/26/07/926402607.db2.gz BGFDYUZJXMGGNT-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@@H+](CCNC(=O)CNC(=O)NC)[C@@H](C)C(=O)N(C)C ZINC001418544219 926402612 /nfs/dbraw/zinc/40/26/12/926402612.db2.gz BGFDYUZJXMGGNT-JTQLQIEISA-N 1 1 301.391 -1.170 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnon1)[C@H](C)C(=O)NC(=O)NC ZINC001418568714 926403410 /nfs/dbraw/zinc/40/34/10/926403410.db2.gz PGSABCAGRSZRSH-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnon1)[C@H](C)C(=O)NC(=O)NC ZINC001418568714 926403417 /nfs/dbraw/zinc/40/34/17/926403417.db2.gz PGSABCAGRSZRSH-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCC(=O)NC1)C[C@@H](O)COC ZINC001418558232 926404633 /nfs/dbraw/zinc/40/46/33/926404633.db2.gz NHOYJVSACCHYQJ-NWDGAFQWSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCCCS1(=O)=O)CC(N)=O ZINC001418558457 926404764 /nfs/dbraw/zinc/40/47/64/926404764.db2.gz RGXLRSNPPOKFCF-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCCCS1(=O)=O)CC(N)=O ZINC001418558457 926404771 /nfs/dbraw/zinc/40/47/71/926404771.db2.gz RGXLRSNPPOKFCF-UHFFFAOYSA-N 1 1 320.415 -1.665 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001418578784 926404934 /nfs/dbraw/zinc/40/49/34/926404934.db2.gz RZOWULYGUFGALN-JQWIXIFHSA-N 1 1 314.386 -1.848 20 0 DAADMO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001418570388 926404987 /nfs/dbraw/zinc/40/49/87/926404987.db2.gz KREQKFWOMCPXPR-LLVKDONJSA-N 1 1 313.402 -1.039 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001418611660 926408112 /nfs/dbraw/zinc/40/81/12/926408112.db2.gz CKSFTXLWNSSZME-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001418597503 926408282 /nfs/dbraw/zinc/40/82/82/926408282.db2.gz XRLOHTBAIQTZDW-WDEREUQCSA-N 1 1 322.431 -1.704 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)OC ZINC001418599288 926408524 /nfs/dbraw/zinc/40/85/24/926408524.db2.gz AGMWKUOWMKOJKU-QWRGUYRKSA-N 1 1 303.359 -1.070 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001418607101 926408575 /nfs/dbraw/zinc/40/85/75/926408575.db2.gz GJZJEEAPLODBKM-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001418607101 926408584 /nfs/dbraw/zinc/40/85/84/926408584.db2.gz GJZJEEAPLODBKM-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c1=O ZINC001418613958 926409100 /nfs/dbraw/zinc/40/91/00/926409100.db2.gz NERNLGQVFFWWFV-SNVBAGLBSA-N 1 1 323.353 -2.387 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c1=O ZINC001418613958 926409107 /nfs/dbraw/zinc/40/91/07/926409107.db2.gz NERNLGQVFFWWFV-SNVBAGLBSA-N 1 1 323.353 -2.387 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N(C)C ZINC001418608275 926409265 /nfs/dbraw/zinc/40/92/65/926409265.db2.gz NOWTXLYBANPOHC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N(C)C ZINC001418608275 926409269 /nfs/dbraw/zinc/40/92/69/926409269.db2.gz NOWTXLYBANPOHC-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001418609056 926409325 /nfs/dbraw/zinc/40/93/25/926409325.db2.gz AFJVFPBTSYSKNY-SNVBAGLBSA-N 1 1 323.357 -1.556 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccnn1 ZINC001418609056 926409330 /nfs/dbraw/zinc/40/93/30/926409330.db2.gz AFJVFPBTSYSKNY-SNVBAGLBSA-N 1 1 323.357 -1.556 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418615224 926410052 /nfs/dbraw/zinc/41/00/52/926410052.db2.gz ZQLQAICPEAARIN-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001418626550 926410310 /nfs/dbraw/zinc/41/03/10/926410310.db2.gz UHKUSFOBDREHDD-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1ncn(C)c1=O ZINC001418626550 926410316 /nfs/dbraw/zinc/41/03/16/926410316.db2.gz UHKUSFOBDREHDD-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H]1CCC[N@@H+]1CCO ZINC001418631360 926410389 /nfs/dbraw/zinc/41/03/89/926410389.db2.gz BYWZPJIKISDQAZ-GFCCVEGCSA-N 1 1 323.397 -1.046 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1=O ZINC001418622071 926410783 /nfs/dbraw/zinc/41/07/83/926410783.db2.gz MBNCNCQNIDSSKZ-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1=O ZINC001418622071 926410790 /nfs/dbraw/zinc/41/07/90/926410790.db2.gz MBNCNCQNIDSSKZ-NSHDSACASA-N 1 1 311.386 -2.174 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC001418629132 926411307 /nfs/dbraw/zinc/41/13/07/926411307.db2.gz VIZHGAZWLLYRCX-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+]1CC(=O)NC1CC1 ZINC001418629132 926411314 /nfs/dbraw/zinc/41/13/14/926411314.db2.gz VIZHGAZWLLYRCX-GFCCVEGCSA-N 1 1 321.385 -1.078 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001418633042 926411414 /nfs/dbraw/zinc/41/14/14/926411414.db2.gz GXSVPYPMMIKMRK-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001418656099 926412333 /nfs/dbraw/zinc/41/23/33/926412333.db2.gz GYRRUFCVWFGUIY-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001418636140 926412770 /nfs/dbraw/zinc/41/27/70/926412770.db2.gz IISWWXPOGAYUHR-JTQLQIEISA-N 1 1 322.369 -1.262 20 0 DAADMO Cn1cncc1CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001418636140 926412773 /nfs/dbraw/zinc/41/27/73/926412773.db2.gz IISWWXPOGAYUHR-JTQLQIEISA-N 1 1 322.369 -1.262 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001418657846 926413094 /nfs/dbraw/zinc/41/30/94/926413094.db2.gz MMBPHPFIDITCFD-ZYHUDNBSSA-N 1 1 320.411 -1.524 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001418663765 926413168 /nfs/dbraw/zinc/41/31/68/926413168.db2.gz YELVQSOEUHCLOJ-ZDUSSCGKSA-N 1 1 314.430 -1.127 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001418678577 926414204 /nfs/dbraw/zinc/41/42/04/926414204.db2.gz CVVWWKLFJOIYEV-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ncccn2)C1 ZINC001418678577 926414213 /nfs/dbraw/zinc/41/42/13/926414213.db2.gz CVVWWKLFJOIYEV-JTQLQIEISA-N 1 1 320.353 -1.016 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)n1C ZINC001418669959 926414305 /nfs/dbraw/zinc/41/43/05/926414305.db2.gz CUYNWTCSXRROIA-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO O=C(Cn1ncnn1)NC[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001418670094 926414508 /nfs/dbraw/zinc/41/45/08/926414508.db2.gz SSYBMYOFGWLGKZ-NSHDSACASA-N 1 1 321.385 -1.363 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001418679614 926414862 /nfs/dbraw/zinc/41/48/62/926414862.db2.gz VXOIRDMECTWVKT-OLZOCXBDSA-N 1 1 312.414 -1.421 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001418667539 926415016 /nfs/dbraw/zinc/41/50/16/926415016.db2.gz FNLWRUYMDXMEGJ-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001418689070 926415809 /nfs/dbraw/zinc/41/58/09/926415809.db2.gz PVNQPXXZIYULPP-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001418687989 926415896 /nfs/dbraw/zinc/41/58/96/926415896.db2.gz QYOGMNOVSRDVTB-GMTAPVOTSA-N 1 1 312.374 -1.144 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418700064 926416153 /nfs/dbraw/zinc/41/61/53/926416153.db2.gz QPUSEZPLIVJXDP-SNVBAGLBSA-N 1 1 320.415 -1.809 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001418689216 926416173 /nfs/dbraw/zinc/41/61/73/926416173.db2.gz PVNQPXXZIYULPP-QWRGUYRKSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001418699675 926416423 /nfs/dbraw/zinc/41/64/23/926416423.db2.gz PCGNENKSIKUMLQ-UWVGGRQHSA-N 1 1 320.415 -1.892 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001418699843 926416489 /nfs/dbraw/zinc/41/64/89/926416489.db2.gz LJPMOISDBPPEQG-KYZUINATSA-N 1 1 310.362 -1.747 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCn1cncn1 ZINC001418726126 926417915 /nfs/dbraw/zinc/41/79/15/926417915.db2.gz WTRQAYFETSQSNX-NSHDSACASA-N 1 1 309.374 -1.212 20 0 DAADMO CC(C)[C@H](NC(N)=O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC001418719432 926418233 /nfs/dbraw/zinc/41/82/33/926418233.db2.gz ORRZIRPTSULLQQ-LBPRGKRZSA-N 1 1 313.402 -1.088 20 0 DAADMO CCO[C@H](C)C(=O)NCc1nc(C[NH2+]CC(N)=O)cc(=O)[nH]1 ZINC001418738209 926418398 /nfs/dbraw/zinc/41/83/98/926418398.db2.gz LEFWHYAZJSVJJF-MRVPVSSYSA-N 1 1 311.342 -1.202 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001418725993 926418707 /nfs/dbraw/zinc/41/87/07/926418707.db2.gz VKLBSIDSXPVVBO-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CC(=O)NC1CC1 ZINC001418725993 926418712 /nfs/dbraw/zinc/41/87/12/926418712.db2.gz VKLBSIDSXPVVBO-NSHDSACASA-N 1 1 311.386 -1.225 20 0 DAADMO NC(=O)N[C@H](CO)C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001418734053 926418788 /nfs/dbraw/zinc/41/87/88/926418788.db2.gz QHYVRBBNDKIMHV-VXGBXAGGSA-N 1 1 308.338 -1.106 20 0 DAADMO CS(=O)(=O)CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001418711527 926418815 /nfs/dbraw/zinc/41/88/15/926418815.db2.gz UXNQBWMEGMYRJR-MGCOHNPYSA-N 1 1 315.399 -1.124 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C)OC)n1 ZINC001418744752 926419187 /nfs/dbraw/zinc/41/91/87/926419187.db2.gz ZUZOGUCLRFQGIP-QMMMGPOBSA-N 1 1 311.342 -1.331 20 0 DAADMO CNC(=O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCOC2)n1 ZINC001418736445 926419284 /nfs/dbraw/zinc/41/92/84/926419284.db2.gz DLBUUOMCCXKUAK-VIFPVBQESA-N 1 1 323.353 -1.330 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001418766657 926420046 /nfs/dbraw/zinc/42/00/46/926420046.db2.gz GAYWKAQVKAMVQA-NEPJUHHUSA-N 1 1 316.402 -1.419 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001418766661 926420423 /nfs/dbraw/zinc/42/04/23/926420423.db2.gz GAYWKAQVKAMVQA-NWDGAFQWSA-N 1 1 316.402 -1.419 20 0 DAADMO COC[C@@H](O)C[N@H+](CCNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001418756566 926420720 /nfs/dbraw/zinc/42/07/20/926420720.db2.gz HEWPJXOTLJRJTC-LBPRGKRZSA-N 1 1 320.411 -1.381 20 0 DAADMO COC[C@@H](O)C[N@@H+](CCNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001418756566 926420729 /nfs/dbraw/zinc/42/07/29/926420729.db2.gz HEWPJXOTLJRJTC-LBPRGKRZSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001418765248 926420803 /nfs/dbraw/zinc/42/08/03/926420803.db2.gz GGEOMRYIRWGCRX-LBPRGKRZSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001418765248 926420808 /nfs/dbraw/zinc/42/08/08/926420808.db2.gz GGEOMRYIRWGCRX-LBPRGKRZSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@H]([N@H+](CCO)CCF)C1 ZINC001418763037 926420860 /nfs/dbraw/zinc/42/08/60/926420860.db2.gz CHLIRJKFZKUZRH-NSHDSACASA-N 1 1 300.338 -1.072 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[C@H]([N@@H+](CCO)CCF)C1 ZINC001418763037 926420868 /nfs/dbraw/zinc/42/08/68/926420868.db2.gz CHLIRJKFZKUZRH-NSHDSACASA-N 1 1 300.338 -1.072 20 0 DAADMO CN1CCC[C@H]([N@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777486 926421495 /nfs/dbraw/zinc/42/14/95/926421495.db2.gz LHTPHHYAKRVJTM-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1CCC[C@H]([N@@H+](CCNC(=O)[C@@H]2CNC(=O)N2)C2CC2)C1=O ZINC001418777486 926421502 /nfs/dbraw/zinc/42/15/02/926421502.db2.gz LHTPHHYAKRVJTM-RYUDHWBXSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001418780115 926422429 /nfs/dbraw/zinc/42/24/29/926422429.db2.gz QXHMOYQTRCKJPI-ZOWXZIJZSA-N 1 1 311.382 -1.207 20 0 DAADMO NC(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001418780115 926422433 /nfs/dbraw/zinc/42/24/33/926422433.db2.gz QXHMOYQTRCKJPI-ZOWXZIJZSA-N 1 1 311.382 -1.207 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001418772341 926422637 /nfs/dbraw/zinc/42/26/37/926422637.db2.gz DURPILXWBZIKKI-NWDGAFQWSA-N 1 1 316.402 -1.289 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001418796100 926422770 /nfs/dbraw/zinc/42/27/70/926422770.db2.gz DERSWYTWNUXMSU-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(CCn1cnnn1)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001418796100 926422775 /nfs/dbraw/zinc/42/27/75/926422775.db2.gz DERSWYTWNUXMSU-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001418804718 926423710 /nfs/dbraw/zinc/42/37/10/926423710.db2.gz JFXZGIKRCGQUEN-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001418804718 926423721 /nfs/dbraw/zinc/42/37/21/926423721.db2.gz JFXZGIKRCGQUEN-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C)C(N)=O ZINC001418808897 926423980 /nfs/dbraw/zinc/42/39/80/926423980.db2.gz AVJXBUHKELBNBN-MIMYLULJSA-N 1 1 302.350 -1.085 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C)C(N)=O ZINC001418808897 926423985 /nfs/dbraw/zinc/42/39/85/926423985.db2.gz AVJXBUHKELBNBN-MIMYLULJSA-N 1 1 302.350 -1.085 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)CCc1cnc[nH]1)C(=O)NC(N)=O ZINC001418804621 926424507 /nfs/dbraw/zinc/42/45/07/926424507.db2.gz BJAGPBKUHUVJTG-VIFPVBQESA-N 1 1 310.358 -1.026 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001418813744 926424666 /nfs/dbraw/zinc/42/46/66/926424666.db2.gz OTKCLDHCBVRANB-SECBINFHSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001418813744 926424674 /nfs/dbraw/zinc/42/46/74/926424674.db2.gz OTKCLDHCBVRANB-SECBINFHSA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001418833683 926425910 /nfs/dbraw/zinc/42/59/10/926425910.db2.gz RPIWURXLBLYUSX-RYUDHWBXSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001418848563 926426086 /nfs/dbraw/zinc/42/60/86/926426086.db2.gz IPOUJYZNXDIWOJ-UKKRHICBSA-N 1 1 309.370 -1.393 20 0 DAADMO C[C@H]([NH2+]CCN(C)C(=O)C[C@@H]1CCC(=O)N1)c1nnnn1C ZINC001418834144 926426177 /nfs/dbraw/zinc/42/61/77/926426177.db2.gz RNSZEQAIFLLARG-UWVGGRQHSA-N 1 1 309.374 -1.012 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001418851834 926426687 /nfs/dbraw/zinc/42/66/87/926426687.db2.gz CQLTZPOFIZLOGM-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001418833688 926426892 /nfs/dbraw/zinc/42/68/92/926426892.db2.gz RPIWURXLBLYUSX-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001418894471 926427866 /nfs/dbraw/zinc/42/78/66/926427866.db2.gz MMYNTPPLYCYFQN-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)c1ccccc1 ZINC001418856350 926428411 /nfs/dbraw/zinc/42/84/11/926428411.db2.gz LWGXSQWYDWBHHU-VXGBXAGGSA-N 1 1 319.365 -1.139 20 0 DAADMO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccccc1 ZINC001418856344 926428782 /nfs/dbraw/zinc/42/87/82/926428782.db2.gz LWGXSQWYDWBHHU-RYUDHWBXSA-N 1 1 319.365 -1.139 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[C@H]2CC[N@@H+](CCO)C2)c1=O ZINC001418895978 926429165 /nfs/dbraw/zinc/42/91/65/926429165.db2.gz MWDICFGDNWDEGD-LBPRGKRZSA-N 1 1 324.381 -1.633 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1)C(N)=O ZINC001418908423 926429985 /nfs/dbraw/zinc/42/99/85/926429985.db2.gz OYQFFCNPDRVNJP-NEPJUHHUSA-N 1 1 314.386 -1.813 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001418902115 926430008 /nfs/dbraw/zinc/43/00/08/926430008.db2.gz AQAXMLKLCGETAE-SNVBAGLBSA-N 1 1 322.369 -1.025 20 0 DAADMO C[N@@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001418934085 926432136 /nfs/dbraw/zinc/43/21/36/926432136.db2.gz AMCTYEPAPACAFP-RYUDHWBXSA-N 1 1 321.385 -1.260 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001418931334 926432436 /nfs/dbraw/zinc/43/24/36/926432436.db2.gz OVEOKCNQSUOOEQ-SECBINFHSA-N 1 1 308.342 -1.002 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC001418953138 926432500 /nfs/dbraw/zinc/43/25/00/926432500.db2.gz QSNFDVZCNCEAIO-BXUZGUMPSA-N 1 1 315.370 -2.052 20 0 DAADMO CO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001418921727 926432869 /nfs/dbraw/zinc/43/28/69/926432869.db2.gz JYGFBOOUASPLJI-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO NC(=O)c1ccc(OCC(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1 ZINC001418951996 926433107 /nfs/dbraw/zinc/43/31/07/926433107.db2.gz BWOSXJYESFUNKT-OAHLLOKOSA-N 1 1 323.349 -1.369 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001418933919 926433300 /nfs/dbraw/zinc/43/33/00/926433300.db2.gz UTRCHTXHZMWCLF-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO NC(=O)c1ccc(OCC(=O)NC[C@]2(CO)COCC[NH2+]2)cc1 ZINC001418951994 926433405 /nfs/dbraw/zinc/43/34/05/926433405.db2.gz BWOSXJYESFUNKT-HNNXBMFYSA-N 1 1 323.349 -1.369 20 0 DAADMO CC(C)(C)OC(=O)NCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001418953409 926433473 /nfs/dbraw/zinc/43/34/73/926433473.db2.gz RUJHTFAEAWNXOG-CYBMUJFWSA-N 1 1 303.359 -1.022 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001418927756 926433483 /nfs/dbraw/zinc/43/34/83/926433483.db2.gz IBCDNCUQUWMERO-SECBINFHSA-N 1 1 324.345 -2.352 20 0 DAADMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cn(-c2cccnc2)nn1 ZINC001418952657 926433580 /nfs/dbraw/zinc/43/35/80/926433580.db2.gz KVLSVLIRRHQPJR-AWEZNQCLSA-N 1 1 318.337 -1.257 20 0 DAADMO COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C[C@H]1C ZINC001418953809 926434109 /nfs/dbraw/zinc/43/41/09/926434109.db2.gz VIODZXNQEPMRJK-ZHSDAYTOSA-N 1 1 316.354 -1.580 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001419001962 926442531 /nfs/dbraw/zinc/44/25/31/926442531.db2.gz AYWCVAWTZPSYPX-UHFFFAOYSA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(CC(=O)NC(=O)NC3CC3)C2)C1 ZINC001418999381 926442648 /nfs/dbraw/zinc/44/26/48/926442648.db2.gz LNBNOEGEAJSXFP-JTQLQIEISA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001419035958 926447010 /nfs/dbraw/zinc/44/70/10/926447010.db2.gz OKHDRUVCVPLGAD-LLVKDONJSA-N 1 1 322.413 -1.002 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001419030011 926447394 /nfs/dbraw/zinc/44/73/94/926447394.db2.gz UBRLDRAFIDXTLV-NSHDSACASA-N 1 1 311.386 -1.464 20 0 DAADMO CCNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001419045085 926447805 /nfs/dbraw/zinc/44/78/05/926447805.db2.gz KMLFGGLISSMKGZ-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001419045085 926447811 /nfs/dbraw/zinc/44/78/11/926447811.db2.gz KMLFGGLISSMKGZ-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1[nH]c(CN2CC(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001419035961 926448086 /nfs/dbraw/zinc/44/80/86/926448086.db2.gz OKHDRUVCVPLGAD-NSHDSACASA-N 1 1 322.413 -1.002 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419053770 926448995 /nfs/dbraw/zinc/44/89/95/926448995.db2.gz WIAJFGVEFGODAZ-SCZZXKLOSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001419053770 926448998 /nfs/dbraw/zinc/44/89/98/926448998.db2.gz WIAJFGVEFGODAZ-SCZZXKLOSA-N 1 1 313.358 -1.843 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001419063248 926451168 /nfs/dbraw/zinc/45/11/68/926451168.db2.gz NPGVJRARTDUVKH-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C2)NC1=O ZINC001419063248 926451172 /nfs/dbraw/zinc/45/11/72/926451172.db2.gz NPGVJRARTDUVKH-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCc2nnc3n2CCNC3=O)C1 ZINC001419081076 926453766 /nfs/dbraw/zinc/45/37/66/926453766.db2.gz ASRNJSXDLSUHBS-UHFFFAOYSA-N 1 1 321.385 -1.869 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001419075986 926454019 /nfs/dbraw/zinc/45/40/19/926454019.db2.gz CBLBBWJKKARTNN-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419071043 926454501 /nfs/dbraw/zinc/45/45/01/926454501.db2.gz UBNHYISZUGQULF-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419071043 926454508 /nfs/dbraw/zinc/45/45/08/926454508.db2.gz UBNHYISZUGQULF-VGMNWLOBSA-N 1 1 311.342 -1.961 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001419095108 926455337 /nfs/dbraw/zinc/45/53/37/926455337.db2.gz HGODSCHXTFXJFL-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419094589 926455375 /nfs/dbraw/zinc/45/53/75/926455375.db2.gz YEPILTFWSIQBBY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1=O ZINC001419094589 926455382 /nfs/dbraw/zinc/45/53/82/926455382.db2.gz YEPILTFWSIQBBY-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001419094001 926455571 /nfs/dbraw/zinc/45/55/71/926455571.db2.gz OATCKKLQDFOALE-VXGBXAGGSA-N 1 1 319.365 -1.288 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001419094001 926455577 /nfs/dbraw/zinc/45/55/77/926455577.db2.gz OATCKKLQDFOALE-VXGBXAGGSA-N 1 1 319.365 -1.288 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001419095369 926455658 /nfs/dbraw/zinc/45/56/58/926455658.db2.gz JOJPKSMEEUEWIK-GFCCVEGCSA-N 1 1 319.373 -1.065 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001419101269 926456246 /nfs/dbraw/zinc/45/62/46/926456246.db2.gz CHWDRXRKOYROJQ-WDEREUQCSA-N 1 1 310.354 -1.077 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419117142 926457975 /nfs/dbraw/zinc/45/79/75/926457975.db2.gz UAPLTQZGBHXQGJ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419117142 926457981 /nfs/dbraw/zinc/45/79/81/926457981.db2.gz UAPLTQZGBHXQGJ-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001419134383 926459852 /nfs/dbraw/zinc/45/98/52/926459852.db2.gz KMDBDLREHXSBMN-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001419134383 926459856 /nfs/dbraw/zinc/45/98/56/926459856.db2.gz KMDBDLREHXSBMN-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001419138940 926460154 /nfs/dbraw/zinc/46/01/54/926460154.db2.gz ULXRWTAFQLNNFU-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001419138940 926460162 /nfs/dbraw/zinc/46/01/62/926460162.db2.gz ULXRWTAFQLNNFU-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419137107 926460298 /nfs/dbraw/zinc/46/02/98/926460298.db2.gz OMCWDXPHVSOWGT-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419137107 926460303 /nfs/dbraw/zinc/46/03/03/926460303.db2.gz OMCWDXPHVSOWGT-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001419133714 926460738 /nfs/dbraw/zinc/46/07/38/926460738.db2.gz WCDUXTFPXLEYLW-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001419133712 926460822 /nfs/dbraw/zinc/46/08/22/926460822.db2.gz WCDUXTFPXLEYLW-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001419131754 926460900 /nfs/dbraw/zinc/46/09/00/926460900.db2.gz XCLWWCDCHCJJPY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001419131754 926460903 /nfs/dbraw/zinc/46/09/03/926460903.db2.gz XCLWWCDCHCJJPY-SCZZXKLOSA-N 1 1 313.358 -1.761 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001419170579 926464902 /nfs/dbraw/zinc/46/49/02/926464902.db2.gz VNTJZMFMHZCDTB-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001419170579 926464909 /nfs/dbraw/zinc/46/49/09/926464909.db2.gz VNTJZMFMHZCDTB-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001419171441 926465119 /nfs/dbraw/zinc/46/51/19/926465119.db2.gz DLPUASYQBFUUDT-GHMZBOCLSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419178371 926465366 /nfs/dbraw/zinc/46/53/66/926465366.db2.gz RECCELWVDKJDRS-SFYZADRCSA-N 1 1 307.376 -2.896 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419178371 926465373 /nfs/dbraw/zinc/46/53/73/926465373.db2.gz RECCELWVDKJDRS-SFYZADRCSA-N 1 1 307.376 -2.896 20 0 DAADMO Cn1cc(C[NH2+][C@@H](CNC(=O)Cn2cnnn2)C2CC2)nn1 ZINC001419210199 926465963 /nfs/dbraw/zinc/46/59/63/926465963.db2.gz MHTNGJFCLGTARK-NSHDSACASA-N 1 1 305.346 -1.514 20 0 DAADMO CCn1ncc(C[NH2+][C@@H](CNC(=O)Cn2cnnn2)C2CC2)n1 ZINC001419206871 926466665 /nfs/dbraw/zinc/46/66/65/926466665.db2.gz IAUWQJXKOPLCPS-LBPRGKRZSA-N 1 1 319.373 -1.031 20 0 DAADMO Cc1nnc(C[NH2+][C@H](CNC(=O)Cn2cnnn2)C2CC2)[nH]1 ZINC001419205269 926466763 /nfs/dbraw/zinc/46/67/63/926466763.db2.gz FZKPYZGWZQBBKZ-SNVBAGLBSA-N 1 1 305.346 -1.216 20 0 DAADMO CCCN(C(=O)[C@@H]1CNC(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC001419205070 926466823 /nfs/dbraw/zinc/46/68/23/926466823.db2.gz QBKOPQHNZNXTBR-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO CCCN(C(=O)[C@H]1CNC(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC001419205047 926467284 /nfs/dbraw/zinc/46/72/84/926467284.db2.gz QBKOPQHNZNXTBR-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1cnon1 ZINC001419263470 926470100 /nfs/dbraw/zinc/47/01/00/926470100.db2.gz AODPDWPXJDINQU-QMMMGPOBSA-N 1 1 305.360 -1.397 20 0 DAADMO CC[C@@H](CNC(=O)CCNC(N)=O)[NH2+][C@@H](C)c1nnnn1C ZINC001419277878 926470144 /nfs/dbraw/zinc/47/01/44/926470144.db2.gz NWOZHIRGOSATKT-IUCAKERBSA-N 1 1 312.378 -1.186 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001419345100 926473170 /nfs/dbraw/zinc/47/31/70/926473170.db2.gz OCYYPOXAECJVJS-SECBINFHSA-N 1 1 323.357 -1.216 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001419387132 926475522 /nfs/dbraw/zinc/47/55/22/926475522.db2.gz CCXKFYYTILIQKN-JBDRJPRFSA-N 1 1 310.362 -1.435 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001419425449 926476204 /nfs/dbraw/zinc/47/62/04/926476204.db2.gz XNGDSZLIMXOQMP-KYZUINATSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001419411188 926476257 /nfs/dbraw/zinc/47/62/57/926476257.db2.gz VMXGHUPRPCKKCG-GUBZILKMSA-N 1 1 315.399 -1.015 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1nnn(C)n1 ZINC001419452614 926478003 /nfs/dbraw/zinc/47/80/03/926478003.db2.gz VPZFKOCHTCUSAK-ZJUUUORDSA-N 1 1 309.374 -1.422 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1nnn(C)n1 ZINC001419483381 926480631 /nfs/dbraw/zinc/48/06/31/926480631.db2.gz FWXOQSKUJMIMGR-QWRGUYRKSA-N 1 1 323.401 -1.032 20 0 DAADMO C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001419498702 926481502 /nfs/dbraw/zinc/48/15/02/926481502.db2.gz VMXGHUPRPCKKCG-LPEHRKFASA-N 1 1 315.399 -1.015 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001419543142 926482725 /nfs/dbraw/zinc/48/27/25/926482725.db2.gz UYOWIJGMEZCLDZ-MRVPVSSYSA-N 1 1 319.391 -2.399 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001419532025 926482740 /nfs/dbraw/zinc/48/27/40/926482740.db2.gz BNOOERZLPWNGNU-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](CCS(C)(=O)=O)C1 ZINC001419526647 926483014 /nfs/dbraw/zinc/48/30/14/926483014.db2.gz LHCBXUIMNLGJHS-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC001419526647 926483019 /nfs/dbraw/zinc/48/30/19/926483019.db2.gz LHCBXUIMNLGJHS-GFCCVEGCSA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001419540870 926483439 /nfs/dbraw/zinc/48/34/39/926483439.db2.gz RLLVETKRKFUCAZ-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)Cn3ncnn3)C2)nn1 ZINC001419540870 926483444 /nfs/dbraw/zinc/48/34/44/926483444.db2.gz RLLVETKRKFUCAZ-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)c(=O)n1C ZINC001419544186 926485059 /nfs/dbraw/zinc/48/50/59/926485059.db2.gz NQJYROFSGICKEB-NSHDSACASA-N 1 1 324.385 -1.796 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)c(=O)n1C ZINC001419544186 926485065 /nfs/dbraw/zinc/48/50/65/926485065.db2.gz NQJYROFSGICKEB-NSHDSACASA-N 1 1 324.385 -1.796 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001419594433 926488923 /nfs/dbraw/zinc/48/89/23/926488923.db2.gz DDHMOSJNKYPAHG-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN([C@@H]2CCNC2=O)CCO1 ZINC001419576316 926488977 /nfs/dbraw/zinc/48/89/77/926488977.db2.gz STXKAYKJVDJSLL-QWHCGFSZSA-N 1 1 321.381 -1.103 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)c(=O)n1C ZINC001419626174 926490669 /nfs/dbraw/zinc/49/06/69/926490669.db2.gz ZMVXPFBXABPJLG-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)c(=O)n1C ZINC001419626174 926490675 /nfs/dbraw/zinc/49/06/75/926490675.db2.gz ZMVXPFBXABPJLG-NSHDSACASA-N 1 1 324.385 -1.654 20 0 DAADMO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419595842 926491215 /nfs/dbraw/zinc/49/12/15/926491215.db2.gz BWLXKPUIFOGXHN-JTQLQIEISA-N 1 1 322.369 -1.347 20 0 DAADMO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419595842 926491219 /nfs/dbraw/zinc/49/12/19/926491219.db2.gz BWLXKPUIFOGXHN-JTQLQIEISA-N 1 1 322.369 -1.347 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001419665593 926492180 /nfs/dbraw/zinc/49/21/80/926492180.db2.gz ZZUVXAKIJCTZNA-IIEKFROSSA-N 1 1 308.382 -1.225 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001419632661 926492227 /nfs/dbraw/zinc/49/22/27/926492227.db2.gz FWEXHOQVBCSSGJ-DZEUPHNYSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC001419632661 926492229 /nfs/dbraw/zinc/49/22/29/926492229.db2.gz FWEXHOQVBCSSGJ-DZEUPHNYSA-N 1 1 323.353 -2.105 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)NC(N)=O ZINC001419636539 926492291 /nfs/dbraw/zinc/49/22/91/926492291.db2.gz CSNIQNAKLPDJEY-XPORZQOISA-N 1 1 323.397 -1.290 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654281 926492343 /nfs/dbraw/zinc/49/23/43/926492343.db2.gz CKJKIRUMHMOYEU-HMUNZLOLSA-N 1 1 323.397 -1.371 20 0 DAADMO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001419654281 926492348 /nfs/dbraw/zinc/49/23/48/926492348.db2.gz CKJKIRUMHMOYEU-HMUNZLOLSA-N 1 1 323.397 -1.371 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001419665599 926493052 /nfs/dbraw/zinc/49/30/52/926493052.db2.gz ZZUVXAKIJCTZNA-ZTVLKNOQSA-N 1 1 308.382 -1.225 20 0 DAADMO Cc1c(C(=O)N(C)[C@H](C)C[NH2+]Cc2nnnn2C)nnn1C ZINC001419650806 926493318 /nfs/dbraw/zinc/49/33/18/926493318.db2.gz UGMFIZNWQXUBEN-MRVPVSSYSA-N 1 1 307.362 -1.103 20 0 DAADMO Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]Cc2nnnn2C)nnn1C ZINC001419650814 926493332 /nfs/dbraw/zinc/49/33/32/926493332.db2.gz UGMFIZNWQXUBEN-QMMMGPOBSA-N 1 1 307.362 -1.103 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001419680386 926494806 /nfs/dbraw/zinc/49/48/06/926494806.db2.gz MJVPYBWDFKQWET-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@H](C[NH2+]Cc1cnon1)N(C)C(=O)CCNS(C)(=O)=O ZINC001419677435 926495110 /nfs/dbraw/zinc/49/51/10/926495110.db2.gz JPBYOYBNJMZWNF-SECBINFHSA-N 1 1 319.387 -1.055 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001419710594 926497107 /nfs/dbraw/zinc/49/71/07/926497107.db2.gz YVLGMZUWUNRAIW-NXEZZACHSA-N 1 1 309.374 -1.225 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001419766507 926498057 /nfs/dbraw/zinc/49/80/57/926498057.db2.gz CJKDMSKQPZDBRM-VIFPVBQESA-N 1 1 306.326 -1.246 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCc2nnc3c(=O)[nH]ccn23)C1 ZINC001419766507 926498061 /nfs/dbraw/zinc/49/80/61/926498061.db2.gz CJKDMSKQPZDBRM-VIFPVBQESA-N 1 1 306.326 -1.246 20 0 DAADMO C[C@@H](CNC(=O)CCNS(C)(=O)=O)[NH2+]Cc1nnnn1C ZINC001419752829 926498073 /nfs/dbraw/zinc/49/80/73/926498073.db2.gz BJASSSXANVGJOE-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+][C@@H](C)c1nnnn1C ZINC001419761668 926498126 /nfs/dbraw/zinc/49/81/26/926498126.db2.gz WTCGHPZBHNZUFD-BDAKNGLRSA-N 1 1 320.357 -1.227 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnon1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419757081 926498153 /nfs/dbraw/zinc/49/81/53/926498153.db2.gz HJZRFEFSBJWKKH-WPRPVWTQSA-N 1 1 317.371 -1.302 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nccn1C ZINC001419763772 926498337 /nfs/dbraw/zinc/49/83/37/926498337.db2.gz ACFMKYBWQMGPSO-NSHDSACASA-N 1 1 309.370 -1.127 20 0 DAADMO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nncn1C ZINC001419778676 926500493 /nfs/dbraw/zinc/50/04/93/926500493.db2.gz CZUUOKPGEQFLNH-VIFPVBQESA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[NH2+]Cc1nncn1C ZINC001419778672 926500749 /nfs/dbraw/zinc/50/07/49/926500749.db2.gz CZUUOKPGEQFLNH-SECBINFHSA-N 1 1 321.341 -1.628 20 0 DAADMO C[C@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001419793181 926501966 /nfs/dbraw/zinc/50/19/66/926501966.db2.gz MLSNJTWKEFBJIQ-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO CC(C)C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001419790869 926502913 /nfs/dbraw/zinc/50/29/13/926502913.db2.gz MIRFFTROXWRFTP-VHSXEESVSA-N 1 1 324.389 -1.488 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001419820928 926504034 /nfs/dbraw/zinc/50/40/34/926504034.db2.gz GMEIWUAFKRTDFN-LLVKDONJSA-N 1 1 323.401 -1.676 20 0 DAADMO C[N@@H+](CCC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1)CC(N)=O ZINC001419842002 926504268 /nfs/dbraw/zinc/50/42/68/926504268.db2.gz GQUHJWJFJMJJMW-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001419827303 926504428 /nfs/dbraw/zinc/50/44/28/926504428.db2.gz VPRDLVDYSCZNMZ-IUCAKERBSA-N 1 1 313.337 -1.477 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1ncnn1CCF ZINC001419827315 926505032 /nfs/dbraw/zinc/50/50/32/926505032.db2.gz VPRDLVDYSCZNMZ-RKDXNWHRSA-N 1 1 313.337 -1.477 20 0 DAADMO CCn1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 ZINC001419854974 926505072 /nfs/dbraw/zinc/50/50/72/926505072.db2.gz TTWDPXPGLNMGQT-ADEWGFFLSA-N 1 1 324.385 -1.075 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001419895716 926506937 /nfs/dbraw/zinc/50/69/37/926506937.db2.gz NCUVIMVTFSAVNI-NXEZZACHSA-N 1 1 315.399 -1.124 20 0 DAADMO C[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001419895766 926507359 /nfs/dbraw/zinc/50/73/59/926507359.db2.gz NCUVIMVTFSAVNI-ZJUUUORDSA-N 1 1 315.399 -1.124 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1cnn(C)n1 ZINC001419918907 926508177 /nfs/dbraw/zinc/50/81/77/926508177.db2.gz BEJNGKIPTNAAMT-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO COc1c(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)cnn1C ZINC001419904837 926508286 /nfs/dbraw/zinc/50/82/86/926508286.db2.gz MEOKWBSGHPRARU-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO CNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001419910254 926509105 /nfs/dbraw/zinc/50/91/05/926509105.db2.gz NYWAHYLJSZDKNI-SWLSCSKDSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1nnnn1C ZINC001419935390 926510268 /nfs/dbraw/zinc/51/02/68/926510268.db2.gz ZAAJTCZBRYKMQF-SSDOTTSWSA-N 1 1 322.329 -2.083 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419931460 926510338 /nfs/dbraw/zinc/51/03/38/926510338.db2.gz FYWXRRNNGAQJGU-IONNQARKSA-N 1 1 317.371 -1.336 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1nnnn1C ZINC001419938489 926511201 /nfs/dbraw/zinc/51/12/01/926511201.db2.gz OODBATXWBKTANL-YUMQZZPRSA-N 1 1 317.375 -2.504 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419931452 926511469 /nfs/dbraw/zinc/51/14/69/926511469.db2.gz FYWXRRNNGAQJGU-CBAPKCEASA-N 1 1 317.371 -1.336 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@H+](C)CCNS(C)(=O)=O ZINC001419948129 926511641 /nfs/dbraw/zinc/51/16/41/926511641.db2.gz NVRSVAQTXGJTJI-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)CCNS(C)(=O)=O ZINC001419948129 926511643 /nfs/dbraw/zinc/51/16/43/926511643.db2.gz NVRSVAQTXGJTJI-UHFFFAOYSA-N 1 1 308.404 -1.938 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1cn(C)nn1 ZINC001419937164 926511738 /nfs/dbraw/zinc/51/17/38/926511738.db2.gz QUBOWURHAFVCRX-GXSJLCMTSA-N 1 1 315.399 -1.013 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1nnnn1C ZINC001419958131 926511865 /nfs/dbraw/zinc/51/18/65/926511865.db2.gz SLCQVHJLGXJFLE-IUCAKERBSA-N 1 1 310.362 -1.653 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001419930892 926511893 /nfs/dbraw/zinc/51/18/93/926511893.db2.gz PWLJCJTVVBFILX-SECBINFHSA-N 1 1 303.388 -1.156 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001419972600 926512713 /nfs/dbraw/zinc/51/27/13/926512713.db2.gz ITJKTLBNQYYZMG-UHFFFAOYSA-N 1 1 316.402 -1.430 20 0 DAADMO COCC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001419972600 926512724 /nfs/dbraw/zinc/51/27/24/926512724.db2.gz ITJKTLBNQYYZMG-UHFFFAOYSA-N 1 1 316.402 -1.430 20 0 DAADMO Cc1ccc(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001419968121 926512892 /nfs/dbraw/zinc/51/28/92/926512892.db2.gz WOJSPPDRNQSLFA-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO Cc1ccc(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001419968121 926512900 /nfs/dbraw/zinc/51/29/00/926512900.db2.gz WOJSPPDRNQSLFA-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001419966287 926513211 /nfs/dbraw/zinc/51/32/11/926513211.db2.gz KUYIJHCWGNTPEP-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001419966287 926513215 /nfs/dbraw/zinc/51/32/15/926513215.db2.gz KUYIJHCWGNTPEP-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001419970808 926513484 /nfs/dbraw/zinc/51/34/84/926513484.db2.gz GMZIJTFSSHDCMO-UHFFFAOYSA-N 1 1 305.356 -1.077 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001419962781 926513974 /nfs/dbraw/zinc/51/39/74/926513974.db2.gz DJKMUDSRCKCMHK-UWVGGRQHSA-N 1 1 301.391 -1.090 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001419962781 926513984 /nfs/dbraw/zinc/51/39/84/926513984.db2.gz DJKMUDSRCKCMHK-UWVGGRQHSA-N 1 1 301.391 -1.090 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](COC)OC ZINC001420014775 926514934 /nfs/dbraw/zinc/51/49/34/926514934.db2.gz WNHLIZZRCGUNMJ-JTQLQIEISA-N 1 1 318.374 -1.506 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](COC)OC ZINC001420014775 926514938 /nfs/dbraw/zinc/51/49/38/926514938.db2.gz WNHLIZZRCGUNMJ-JTQLQIEISA-N 1 1 318.374 -1.506 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001420006107 926515873 /nfs/dbraw/zinc/51/58/73/926515873.db2.gz YJZABGHOERHMAE-DTWKUNHWSA-N 1 1 310.362 -1.795 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001420038040 926516978 /nfs/dbraw/zinc/51/69/78/926516978.db2.gz AKEHDYYPVBHGRG-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001420038040 926516983 /nfs/dbraw/zinc/51/69/83/926516983.db2.gz AKEHDYYPVBHGRG-JTQLQIEISA-N 1 1 322.431 -1.598 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)c1ccncn1 ZINC001420039664 926517582 /nfs/dbraw/zinc/51/75/82/926517582.db2.gz SLDJRPNZVHRHDQ-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)c1ccncn1 ZINC001420039664 926517584 /nfs/dbraw/zinc/51/75/84/926517584.db2.gz SLDJRPNZVHRHDQ-UHFFFAOYSA-N 1 1 308.342 -1.064 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001420056324 926518367 /nfs/dbraw/zinc/51/83/67/926518367.db2.gz VIYGFADDKSYBIY-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001420056324 926518382 /nfs/dbraw/zinc/51/83/82/926518382.db2.gz VIYGFADDKSYBIY-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001420069828 926518904 /nfs/dbraw/zinc/51/89/04/926518904.db2.gz JEPGMNVVOJZRLV-NEPJUHHUSA-N 1 1 319.427 -1.159 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)Cc1cnn(C)c1 ZINC001420057210 926519029 /nfs/dbraw/zinc/51/90/29/926519029.db2.gz CWEULPWSEMIFGU-UHFFFAOYSA-N 1 1 317.415 -1.141 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)Cc1cnn(C)c1 ZINC001420057210 926519036 /nfs/dbraw/zinc/51/90/36/926519036.db2.gz CWEULPWSEMIFGU-UHFFFAOYSA-N 1 1 317.415 -1.141 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001420069834 926519101 /nfs/dbraw/zinc/51/91/01/926519101.db2.gz JEPGMNVVOJZRLV-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001420064301 926519282 /nfs/dbraw/zinc/51/92/82/926519282.db2.gz VUOMYJSPBXMJRC-NSHDSACASA-N 1 1 314.386 -1.265 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001420069830 926519548 /nfs/dbraw/zinc/51/95/48/926519548.db2.gz JEPGMNVVOJZRLV-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420065066 926519636 /nfs/dbraw/zinc/51/96/36/926519636.db2.gz ZVDBQTCZVGOVBG-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001420065066 926519642 /nfs/dbraw/zinc/51/96/42/926519642.db2.gz ZVDBQTCZVGOVBG-UWVGGRQHSA-N 1 1 320.415 -1.797 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001420087309 926520305 /nfs/dbraw/zinc/52/03/05/926520305.db2.gz GSFWRXQRHZXBNH-KOLCDFICSA-N 1 1 312.374 -1.611 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2COCCO2)s1 ZINC001420101825 926524115 /nfs/dbraw/zinc/52/41/15/926524115.db2.gz HXLHAKMZUOQYRV-ZJUUUORDSA-N 1 1 316.383 -1.171 20 0 DAADMO Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nncn2C)nnn1C ZINC001420105225 926524445 /nfs/dbraw/zinc/52/44/45/926524445.db2.gz IAHMCLUQWVZECV-SCZZXKLOSA-N 1 1 322.373 -1.306 20 0 DAADMO C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)n1cncn1 ZINC001420101348 926524746 /nfs/dbraw/zinc/52/47/46/926524746.db2.gz DIPIFLWGPZEENM-KOLCDFICSA-N 1 1 308.346 -1.766 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)nc1 ZINC001420105787 926525374 /nfs/dbraw/zinc/52/53/74/926525374.db2.gz KGXVNYBXMMLLQH-GHMZBOCLSA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)nc1 ZINC001420105789 926525447 /nfs/dbraw/zinc/52/54/47/926525447.db2.gz KGXVNYBXMMLLQH-WDEREUQCSA-N 1 1 307.354 -1.370 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cccn2)[nH]1 ZINC001420106518 926525646 /nfs/dbraw/zinc/52/56/46/926525646.db2.gz LCHLOCHMEYXPIJ-LLVKDONJSA-N 1 1 307.358 -1.033 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1)c1nnnn1C ZINC001420101741 926525691 /nfs/dbraw/zinc/52/56/91/926525691.db2.gz GTBDNIATRQSPNO-PSASIEDQSA-N 1 1 308.346 -1.696 20 0 DAADMO Cc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)n(C)n1 ZINC001420113995 926526364 /nfs/dbraw/zinc/52/63/64/926526364.db2.gz QHPNYWQTMFQQSR-SECBINFHSA-N 1 1 308.346 -1.867 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001420115198 926529367 /nfs/dbraw/zinc/52/93/67/926529367.db2.gz MUHGPTWJNCMAQT-QWRGUYRKSA-N 1 1 322.373 -1.283 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ccn[nH]1 ZINC001420118632 926529573 /nfs/dbraw/zinc/52/95/73/926529573.db2.gz UTSUZFBIJKXFPA-VIFPVBQESA-N 1 1 311.321 -1.149 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001420118174 926530058 /nfs/dbraw/zinc/53/00/58/926530058.db2.gz PPFFSWATLUHUPD-MRVPVSSYSA-N 1 1 308.346 -1.989 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)c1cn[nH]c1 ZINC001420121895 926532182 /nfs/dbraw/zinc/53/21/82/926532182.db2.gz ZYLHTAAPSAQOQB-JTQLQIEISA-N 1 1 306.330 -1.388 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C)n[nH]1 ZINC001420129503 926533271 /nfs/dbraw/zinc/53/32/71/926533271.db2.gz RPYFIWLHGWJFNJ-WPRPVWTQSA-N 1 1 312.374 -1.801 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cc(=O)n(C)cn2)n1 ZINC001420133244 926535611 /nfs/dbraw/zinc/53/56/11/926535611.db2.gz ICTVWIURFGBGME-JTQLQIEISA-N 1 1 321.341 -2.211 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC(=O)N2)nn1 ZINC001420133792 926536222 /nfs/dbraw/zinc/53/62/22/926536222.db2.gz KCFXCKQRJDZISM-VXGBXAGGSA-N 1 1 324.385 -1.467 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)nn1 ZINC001420138228 926537887 /nfs/dbraw/zinc/53/78/87/926537887.db2.gz NQQIBPXQUBMGMN-CMPLNLGQSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001420136558 926538135 /nfs/dbraw/zinc/53/81/35/926538135.db2.gz HZWNTSBIIZYASG-VHSXEESVSA-N 1 1 310.358 -2.092 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1csc(C)n1 ZINC001420136459 926538151 /nfs/dbraw/zinc/53/81/51/926538151.db2.gz LTFAAGQTKJVUJG-SNVBAGLBSA-N 1 1 315.399 -1.053 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)nn1 ZINC001420138232 926538301 /nfs/dbraw/zinc/53/83/01/926538301.db2.gz NQQIBPXQUBMGMN-ZYHUDNBSSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)nn1 ZINC001420143363 926540766 /nfs/dbraw/zinc/54/07/66/926540766.db2.gz JSPYJFLKKAEVDF-VIFPVBQESA-N 1 1 309.330 -1.865 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn3c2CCC3)n1 ZINC001420147550 926542106 /nfs/dbraw/zinc/54/21/06/926542106.db2.gz XOSSTSIOZOVQIW-LLVKDONJSA-N 1 1 319.369 -1.162 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1)CS(C)(=O)=O ZINC001420155528 926543546 /nfs/dbraw/zinc/54/35/46/926543546.db2.gz LKFIXQPSKNFPGT-BDAKNGLRSA-N 1 1 319.387 -1.834 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnc[nH]c2=O)nn1 ZINC001420148996 926543823 /nfs/dbraw/zinc/54/38/23/926543823.db2.gz KCTFAJLHCIHLES-VIFPVBQESA-N 1 1 307.314 -1.809 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(=O)N2C)nn1 ZINC001420160091 926545950 /nfs/dbraw/zinc/54/59/50/926545950.db2.gz GSQQEEWWXRYEAM-NWDGAFQWSA-N 1 1 324.385 -1.515 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001420155963 926546351 /nfs/dbraw/zinc/54/63/51/926546351.db2.gz OUXFDWPCUGWQLT-QMMMGPOBSA-N 1 1 307.314 -2.221 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2[nH]nnc2C)n1 ZINC001420156441 926546563 /nfs/dbraw/zinc/54/65/63/926546563.db2.gz ICHNBRRMNSTKTI-JTQLQIEISA-N 1 1 308.346 -1.395 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1coc(C2CC2)n1)[C@@H]1CNC(=O)N1 ZINC001420157869 926546774 /nfs/dbraw/zinc/54/67/74/926546774.db2.gz RVNFJJFRORFJFH-MNOVXSKESA-N 1 1 323.353 -1.200 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)n1 ZINC001420162022 926547141 /nfs/dbraw/zinc/54/71/41/926547141.db2.gz MOTOEBIEDZYBMX-MWLCHTKSSA-N 1 1 309.370 -1.137 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)c2n[nH]c3c2CCC3)nn1 ZINC001420160232 926547469 /nfs/dbraw/zinc/54/74/69/926547469.db2.gz ROJHRZHDTXQMDP-SNVBAGLBSA-N 1 1 319.369 -1.093 20 0 DAADMO O=C(C[C@H]1CCCC(=O)N1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001420157187 926547584 /nfs/dbraw/zinc/54/75/84/926547584.db2.gz LKUOQTNLPUVPJB-KOLCDFICSA-N 1 1 311.342 -1.305 20 0 DAADMO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001420163405 926548204 /nfs/dbraw/zinc/54/82/04/926548204.db2.gz WMBWNDJZWVIBRD-VHSXEESVSA-N 1 1 310.358 -1.506 20 0 DAADMO Cc1nnccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001420164298 926548530 /nfs/dbraw/zinc/54/85/30/926548530.db2.gz YJRSTNGRNLALFM-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CC(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001420163404 926549264 /nfs/dbraw/zinc/54/92/64/926549264.db2.gz WMBWNDJZWVIBRD-UWVGGRQHSA-N 1 1 310.358 -1.506 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)nn1C ZINC001420162804 926549718 /nfs/dbraw/zinc/54/97/18/926549718.db2.gz UUDCDDOBLNZXGL-SECBINFHSA-N 1 1 310.314 -1.308 20 0 DAADMO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)c2nnn(C)n2)o1 ZINC001420172913 926550334 /nfs/dbraw/zinc/55/03/34/926550334.db2.gz PKCCVWJOCQSNHN-BDAKNGLRSA-N 1 1 309.330 -1.052 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001420179884 926554428 /nfs/dbraw/zinc/55/44/28/926554428.db2.gz DGVRXFHYEHXPEO-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001420179884 926554431 /nfs/dbraw/zinc/55/44/31/926554431.db2.gz DGVRXFHYEHXPEO-QMMMGPOBSA-N 1 1 301.347 -1.904 20 0 DAADMO Cc1ccn(CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)c(=O)c1 ZINC001420177816 926554530 /nfs/dbraw/zinc/55/45/30/926554530.db2.gz LDJKXAKMDHCYTC-GFCCVEGCSA-N 1 1 321.337 -1.193 20 0 DAADMO Cc1nccnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001420185209 926555449 /nfs/dbraw/zinc/55/54/49/926555449.db2.gz CVQCYENIFBPMPF-SNVBAGLBSA-N 1 1 305.342 -1.287 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1COCCO1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420182923 926555922 /nfs/dbraw/zinc/55/59/22/926555922.db2.gz NQHNRAVCNZULMI-RYUDHWBXSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1COCCO1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420182923 926555931 /nfs/dbraw/zinc/55/59/31/926555931.db2.gz NQHNRAVCNZULMI-RYUDHWBXSA-N 1 1 320.411 -1.116 20 0 DAADMO CCCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C)[nH]2)nn1 ZINC001420181891 926555953 /nfs/dbraw/zinc/55/59/53/926555953.db2.gz DZOLNHUQCNBVMA-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO COC(=O)NCC(=O)NCC[N@H+](C)CCN(C)S(C)(=O)=O ZINC001420183799 926556001 /nfs/dbraw/zinc/55/60/01/926556001.db2.gz USIODVXXLXGZLV-UHFFFAOYSA-N 1 1 324.403 -1.718 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)CCN(C)S(C)(=O)=O ZINC001420183799 926556009 /nfs/dbraw/zinc/55/60/09/926556009.db2.gz USIODVXXLXGZLV-UHFFFAOYSA-N 1 1 324.403 -1.718 20 0 DAADMO COC(=O)NCC(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001420183049 926556093 /nfs/dbraw/zinc/55/60/93/926556093.db2.gz RNCQEPZMGMFHSD-UHFFFAOYSA-N 1 1 301.347 -1.584 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)nn1 ZINC001420185258 926556157 /nfs/dbraw/zinc/55/61/57/926556157.db2.gz NGQLJYDVBXLWRT-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COCCO1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420182918 926556387 /nfs/dbraw/zinc/55/63/87/926556387.db2.gz NQHNRAVCNZULMI-NWDGAFQWSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COCCO1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420182918 926556395 /nfs/dbraw/zinc/55/63/95/926556395.db2.gz NQHNRAVCNZULMI-NWDGAFQWSA-N 1 1 320.411 -1.116 20 0 DAADMO C[N@H+](CCNC(=O)[C@H]1COCCO1)CCNS(C)(=O)=O ZINC001420184360 926556626 /nfs/dbraw/zinc/55/66/26/926556626.db2.gz PXLKPCNOZMAPGV-SNVBAGLBSA-N 1 1 309.388 -2.001 20 0 DAADMO C[N@@H+](CCNC(=O)[C@H]1COCCO1)CCNS(C)(=O)=O ZINC001420184360 926556634 /nfs/dbraw/zinc/55/66/34/926556634.db2.gz PXLKPCNOZMAPGV-SNVBAGLBSA-N 1 1 309.388 -2.001 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1)NC1CCCCC1 ZINC001420191939 926559172 /nfs/dbraw/zinc/55/91/72/926559172.db2.gz HKJIRABXVKIQGC-NSHDSACASA-N 1 1 324.385 -1.066 20 0 DAADMO O=C(C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1)NC1CCCCC1 ZINC001420191939 926559179 /nfs/dbraw/zinc/55/91/79/926559179.db2.gz HKJIRABXVKIQGC-NSHDSACASA-N 1 1 324.385 -1.066 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1ncn[nH]1 ZINC001420190528 926559330 /nfs/dbraw/zinc/55/93/30/926559330.db2.gz FMQABHZMKCDJDK-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)c1nc[nH]n1 ZINC001420190528 926559338 /nfs/dbraw/zinc/55/93/38/926559338.db2.gz FMQABHZMKCDJDK-UWVGGRQHSA-N 1 1 310.358 -1.599 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CN1CCCC1 ZINC001420196357 926559946 /nfs/dbraw/zinc/55/99/46/926559946.db2.gz ZYAMAIRLFHXULF-VIFPVBQESA-N 1 1 301.347 -2.656 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)COCC1CC1 ZINC001420196822 926560159 /nfs/dbraw/zinc/56/01/59/926560159.db2.gz HCQNQGXFCMRTGY-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)COCC1CC1 ZINC001420196822 926560166 /nfs/dbraw/zinc/56/01/66/926560166.db2.gz HCQNQGXFCMRTGY-UHFFFAOYSA-N 1 1 300.359 -1.083 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)COc1cccnc1 ZINC001420194906 926561004 /nfs/dbraw/zinc/56/10/04/926561004.db2.gz UXVXCMDEHSAVRA-LLVKDONJSA-N 1 1 320.353 -1.144 20 0 DAADMO C[N@@H+](CCNC(=O)CCc1nnc[nH]1)CCN1CCNC1=O ZINC001420196717 926561230 /nfs/dbraw/zinc/56/12/30/926561230.db2.gz GDOQLGCCJBVVKT-UHFFFAOYSA-N 1 1 309.374 -1.190 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001420194499 926561421 /nfs/dbraw/zinc/56/14/21/926561421.db2.gz XWDTWRMQXSWQOA-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001420194499 926561426 /nfs/dbraw/zinc/56/14/26/926561426.db2.gz XWDTWRMQXSWQOA-DTWKUNHWSA-N 1 1 313.358 -1.843 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)Cc2cncn2C)n1 ZINC001420197667 926561925 /nfs/dbraw/zinc/56/19/25/926561925.db2.gz PVFQSYGZWNWXKI-ZDUSSCGKSA-N 1 1 321.385 -1.159 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001420202218 926562350 /nfs/dbraw/zinc/56/23/50/926562350.db2.gz VGVSKVHAZVNHMN-VIFPVBQESA-N 1 1 320.357 -1.309 20 0 DAADMO Cn1nc(C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)ccc1=O ZINC001420203488 926562430 /nfs/dbraw/zinc/56/24/30/926562430.db2.gz HUZUJOJJXNWSFW-JTQLQIEISA-N 1 1 318.337 -1.549 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1)c1nncn1C ZINC001420200186 926562482 /nfs/dbraw/zinc/56/24/82/926562482.db2.gz VVFBZRREPBSNDS-BDAKNGLRSA-N 1 1 308.346 -1.696 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001420202214 926562533 /nfs/dbraw/zinc/56/25/33/926562533.db2.gz VGVSKVHAZVNHMN-SECBINFHSA-N 1 1 320.357 -1.309 20 0 DAADMO C[N@H+](CCNC(=O)c1cc[nH]c(=O)c1)CCNS(C)(=O)=O ZINC001420203025 926562648 /nfs/dbraw/zinc/56/26/48/926562648.db2.gz NHVVCNIHLKPNHF-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO C[N@@H+](CCNC(=O)c1cc[nH]c(=O)c1)CCNS(C)(=O)=O ZINC001420203025 926562658 /nfs/dbraw/zinc/56/26/58/926562658.db2.gz NHVVCNIHLKPNHF-UHFFFAOYSA-N 1 1 316.383 -1.002 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001420199417 926563065 /nfs/dbraw/zinc/56/30/65/926563065.db2.gz VENMDECOIJEXJW-WDEREUQCSA-N 1 1 324.385 -1.670 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C)[nH]2)n1 ZINC001420199795 926563177 /nfs/dbraw/zinc/56/31/77/926563177.db2.gz BQLXBFYRXOARLK-JTQLQIEISA-N 1 1 322.373 -1.087 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CCc2cnccn2)n1 ZINC001420198911 926564019 /nfs/dbraw/zinc/56/40/19/926564019.db2.gz PLSDHBPPQBOTNR-ZDUSSCGKSA-N 1 1 319.369 -1.195 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN[C@@H](C)c1nnnn1C ZINC001420207783 926564847 /nfs/dbraw/zinc/56/48/47/926564847.db2.gz ACMPJTGSDOUAKW-GXSJLCMTSA-N 1 1 322.373 -1.457 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CN[C@H](C)c1nnnn1C ZINC001420207788 926565478 /nfs/dbraw/zinc/56/54/78/926565478.db2.gz ACMPJTGSDOUAKW-MWLCHTKSSA-N 1 1 322.373 -1.457 20 0 DAADMO Cn1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)ccc1=O ZINC001420207252 926566493 /nfs/dbraw/zinc/56/64/93/926566493.db2.gz TVUQCHNHXHYCIA-SNVBAGLBSA-N 1 1 307.310 -1.351 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(=O)n(C)n2)[nH]1 ZINC001420207402 926566516 /nfs/dbraw/zinc/56/65/16/926566516.db2.gz UUSJKPDUGJIPNA-VIFPVBQESA-N 1 1 321.341 -1.913 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420212811 926567592 /nfs/dbraw/zinc/56/75/92/926567592.db2.gz MCDZXNUYBIZWKX-SNVBAGLBSA-N 1 1 319.387 -2.184 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420221249 926567705 /nfs/dbraw/zinc/56/77/05/926567705.db2.gz JQUMQCCLNQHSLT-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC001420221249 926567712 /nfs/dbraw/zinc/56/77/12/926567712.db2.gz JQUMQCCLNQHSLT-VIFPVBQESA-N 1 1 323.419 -2.354 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC001420226639 926567790 /nfs/dbraw/zinc/56/77/90/926567790.db2.gz YAAZVWXYCSKFIR-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)N1CCCC1)[C@H]1CCNC1=O ZINC001420226639 926567798 /nfs/dbraw/zinc/56/77/98/926567798.db2.gz YAAZVWXYCSKFIR-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001420212810 926567917 /nfs/dbraw/zinc/56/79/17/926567917.db2.gz MCDZXNUYBIZWKX-JTQLQIEISA-N 1 1 319.387 -2.184 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001420215130 926568212 /nfs/dbraw/zinc/56/82/12/926568212.db2.gz ZTNKLPUJNZFDAI-LLVKDONJSA-N 1 1 302.375 -1.103 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H](O)C(C)C ZINC001420215130 926568223 /nfs/dbraw/zinc/56/82/23/926568223.db2.gz ZTNKLPUJNZFDAI-LLVKDONJSA-N 1 1 302.375 -1.103 20 0 DAADMO C[N@H+](CCNC(=O)Cn1ncnn1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420216043 926568334 /nfs/dbraw/zinc/56/83/34/926568334.db2.gz FQNVULSSCGAFJD-JTQLQIEISA-N 1 1 316.387 -1.844 20 0 DAADMO C[N@@H+](CCNC(=O)Cn1ncnn1)C[C@@H]1CCS(=O)(=O)C1 ZINC001420216043 926568340 /nfs/dbraw/zinc/56/83/40/926568340.db2.gz FQNVULSSCGAFJD-JTQLQIEISA-N 1 1 316.387 -1.844 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420240082 926569383 /nfs/dbraw/zinc/56/93/83/926569383.db2.gz RRVZSWXTKYWKAV-VIFPVBQESA-N 1 1 313.358 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420240082 926569392 /nfs/dbraw/zinc/56/93/92/926569392.db2.gz RRVZSWXTKYWKAV-VIFPVBQESA-N 1 1 313.358 -2.032 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001420240437 926569699 /nfs/dbraw/zinc/56/96/99/926569699.db2.gz TUMBWXPZSIEDKS-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001420240437 926569706 /nfs/dbraw/zinc/56/97/06/926569706.db2.gz TUMBWXPZSIEDKS-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001420236356 926570865 /nfs/dbraw/zinc/57/08/65/926570865.db2.gz YMTPWZPJBULSQI-RKDXNWHRSA-N 1 1 308.346 -1.317 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001420231086 926571021 /nfs/dbraw/zinc/57/10/21/926571021.db2.gz BCUQAKPVRFADFG-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001420231086 926571027 /nfs/dbraw/zinc/57/10/27/926571027.db2.gz BCUQAKPVRFADFG-SECBINFHSA-N 1 1 308.404 -1.940 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001420256683 926572065 /nfs/dbraw/zinc/57/20/65/926572065.db2.gz GCFDQAYTXBEQSG-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001420256683 926572073 /nfs/dbraw/zinc/57/20/73/926572073.db2.gz GCFDQAYTXBEQSG-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)c1ccc2nnnn2c1 ZINC001420266603 926572861 /nfs/dbraw/zinc/57/28/61/926572861.db2.gz ZCGUENBPKODFHL-NSHDSACASA-N 1 1 308.342 -1.207 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNCc1cnn(C)n1 ZINC001420264362 926572994 /nfs/dbraw/zinc/57/29/94/926572994.db2.gz MGQFJHMETMEAPD-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001420270091 926574219 /nfs/dbraw/zinc/57/42/19/926574219.db2.gz BMVDRTXLXOJFSR-PSASIEDQSA-N 1 1 307.358 -1.119 20 0 DAADMO C[N@@H+](CCNC(=O)CN1CCNC(=O)C1)C[C@@H]1C[C@@]12CCOC2 ZINC001420279962 926574631 /nfs/dbraw/zinc/57/46/31/926574631.db2.gz CATYEFYNIJYQDB-XJKSGUPXSA-N 1 1 324.425 -1.107 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001420305413 926577041 /nfs/dbraw/zinc/57/70/41/926577041.db2.gz CSMFZSVTZHRHQX-SNVBAGLBSA-N 1 1 324.389 -2.422 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420296960 926577181 /nfs/dbraw/zinc/57/71/81/926577181.db2.gz SMPJCDCBFRFGOD-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420296960 926577186 /nfs/dbraw/zinc/57/71/86/926577186.db2.gz SMPJCDCBFRFGOD-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO CS(=O)(=O)N1CCC(C(=O)N2CC([NH2+]C3COC3)C2)CC1 ZINC001420302184 926577682 /nfs/dbraw/zinc/57/76/82/926577682.db2.gz YHYZKWQRFRZOJS-UHFFFAOYSA-N 1 1 317.411 -1.143 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)C1CS(=O)(=O)C1 ZINC001420292669 926577735 /nfs/dbraw/zinc/57/77/35/926577735.db2.gz SBQVILWQDTXIPJ-HTQZYQBOSA-N 1 1 316.387 -1.590 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)N2CC([NH2+]C3COC3)C2)o1 ZINC001420302009 926578317 /nfs/dbraw/zinc/57/83/17/926578317.db2.gz XNCJXLTULULPJG-UHFFFAOYSA-N 1 1 301.324 -1.260 20 0 DAADMO CS(=O)(=O)C1(C(=O)N2CC([NH2+]C3COC3)C2)CCOCC1 ZINC001420298379 926578706 /nfs/dbraw/zinc/57/87/06/926578706.db2.gz MBPGLPMVWMJENW-UHFFFAOYSA-N 1 1 318.395 -1.221 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)c1cc(=O)n(C)cn1 ZINC001420313944 926579940 /nfs/dbraw/zinc/57/99/40/926579940.db2.gz LGRGTNPBCZGBHA-RKDXNWHRSA-N 1 1 320.357 -1.227 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC001420312875 926579961 /nfs/dbraw/zinc/57/99/61/926579961.db2.gz DSUYZHUWAUZBRZ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001420312875 926579968 /nfs/dbraw/zinc/57/99/68/926579968.db2.gz DSUYZHUWAUZBRZ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)c1ncn[nH]1 ZINC001420312875 926579976 /nfs/dbraw/zinc/57/99/76/926579976.db2.gz DSUYZHUWAUZBRZ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001420312875 926579987 /nfs/dbraw/zinc/57/99/87/926579987.db2.gz DSUYZHUWAUZBRZ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)c1nc[nH]n1 ZINC001420312875 926579995 /nfs/dbraw/zinc/57/99/95/926579995.db2.gz DSUYZHUWAUZBRZ-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CN1CCNC(=O)C1 ZINC001420323903 926580191 /nfs/dbraw/zinc/58/01/91/926580191.db2.gz ZETVLRLHNSVQOV-SNVBAGLBSA-N 1 1 309.374 -2.159 20 0 DAADMO CCN1CC[C@H]([N@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001420320091 926580260 /nfs/dbraw/zinc/58/02/60/926580260.db2.gz QOBWSDJGWMTPTI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001420320091 926580268 /nfs/dbraw/zinc/58/02/68/926580268.db2.gz QOBWSDJGWMTPTI-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420321009 926580325 /nfs/dbraw/zinc/58/03/25/926580325.db2.gz HVVIUWZLNBRTAQ-PSASIEDQSA-N 1 1 322.373 -1.374 20 0 DAADMO CCc1cc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001420316145 926580646 /nfs/dbraw/zinc/58/06/46/926580646.db2.gz DIQIUZLUVPXMKY-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO CCc1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)n(C)n1 ZINC001420316145 926580650 /nfs/dbraw/zinc/58/06/50/926580650.db2.gz DIQIUZLUVPXMKY-UHFFFAOYSA-N 1 1 310.358 -1.161 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)CN1CCNC(=O)C1 ZINC001420323866 926580760 /nfs/dbraw/zinc/58/07/60/926580760.db2.gz YMVMESWNGHYVRS-GHMZBOCLSA-N 1 1 323.401 -1.598 20 0 DAADMO CCN1CC[C@@H]([N@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001420320090 926581042 /nfs/dbraw/zinc/58/10/42/926581042.db2.gz QOBWSDJGWMTPTI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CCn2cnnn2)C1=O ZINC001420320090 926581046 /nfs/dbraw/zinc/58/10/46/926581046.db2.gz QOBWSDJGWMTPTI-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001420350081 926582592 /nfs/dbraw/zinc/58/25/92/926582592.db2.gz FPJWCHDFIAAVLL-WDEREUQCSA-N 1 1 307.416 -1.856 20 0 DAADMO C[C@H](C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001420333237 926583715 /nfs/dbraw/zinc/58/37/15/926583715.db2.gz KNELFMXNVWXKPM-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1)CS(C)(=O)=O ZINC001420333237 926583724 /nfs/dbraw/zinc/58/37/24/926583724.db2.gz KNELFMXNVWXKPM-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001420355910 926585826 /nfs/dbraw/zinc/58/58/26/926585826.db2.gz HKUUCFLJMXVIBO-UHFFFAOYSA-N 1 1 321.403 -2.391 20 0 DAADMO CC[N@H+](CCNC(=O)c1cn(C)nn1)CC(=O)NC(=O)NC ZINC001420385122 926586750 /nfs/dbraw/zinc/58/67/50/926586750.db2.gz VJTFOBBSBCGHRT-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)nn1)CC(=O)NC(=O)NC ZINC001420385122 926586757 /nfs/dbraw/zinc/58/67/57/926586757.db2.gz VJTFOBBSBCGHRT-UHFFFAOYSA-N 1 1 311.346 -1.678 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H](C)NC(N)=O)CCN1CCNC1=O ZINC001420376498 926587012 /nfs/dbraw/zinc/58/70/12/926587012.db2.gz GKANDGADTDMNAZ-JTQLQIEISA-N 1 1 314.390 -1.494 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnn(C)c1)CC(=O)NC(=O)NC ZINC001420368468 926587531 /nfs/dbraw/zinc/58/75/31/926587531.db2.gz OJUGOPCLQTXTAV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnn(C)c1)CC(=O)NC(=O)NC ZINC001420368468 926587540 /nfs/dbraw/zinc/58/75/40/926587540.db2.gz OJUGOPCLQTXTAV-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CC[N@H+](CCNC(=O)c1cnccn1)CC(=O)NC(=O)NC ZINC001420377862 926587635 /nfs/dbraw/zinc/58/76/35/926587635.db2.gz YPZAUEAHXRGYLW-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cnccn1)CC(=O)NC(=O)NC ZINC001420377862 926587644 /nfs/dbraw/zinc/58/76/44/926587644.db2.gz YPZAUEAHXRGYLW-UHFFFAOYSA-N 1 1 308.342 -1.016 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1ncnn1)[C@H](C)C(=O)NC1CC1 ZINC001420384765 926587687 /nfs/dbraw/zinc/58/76/87/926587687.db2.gz FDKRPDRWYUETLO-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1ncnn1)[C@H](C)C(=O)NC1CC1 ZINC001420384765 926587694 /nfs/dbraw/zinc/58/76/94/926587694.db2.gz FDKRPDRWYUETLO-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cc(C)cn1)CC(=O)NC(N)=O ZINC001420384527 926587785 /nfs/dbraw/zinc/58/77/85/926587785.db2.gz LDADHEPVDOVBRG-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cc(C)cn1)CC(=O)NC(N)=O ZINC001420384527 926587788 /nfs/dbraw/zinc/58/77/88/926587788.db2.gz LDADHEPVDOVBRG-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO C[C@H](C[NH2+][C@@H](C)c1nnnn1C)NC(=O)c1cn(C)c(=O)n1C ZINC001420375822 926588368 /nfs/dbraw/zinc/58/83/68/926588368.db2.gz XRNWZUQDDWTYGP-BDAKNGLRSA-N 1 1 322.373 -1.284 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)C2CS(=O)(=O)C2)nn1 ZINC001420417544 926589590 /nfs/dbraw/zinc/58/95/90/926589590.db2.gz GQXZJHLCNBSPGQ-VIFPVBQESA-N 1 1 315.399 -1.063 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCNS(C)(=O)=O ZINC001420427489 926591193 /nfs/dbraw/zinc/59/11/93/926591193.db2.gz RKBRVKYMGWEEDC-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CNC(=O)N1)CCNS(C)(=O)=O ZINC001420427489 926591201 /nfs/dbraw/zinc/59/12/01/926591201.db2.gz RKBRVKYMGWEEDC-VIFPVBQESA-N 1 1 321.403 -2.345 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)NC(=O)Cc1nnc[nH]1 ZINC001420442115 926591264 /nfs/dbraw/zinc/59/12/64/926591264.db2.gz UFYQLIDXBLLMKZ-MNOVXSKESA-N 1 1 307.358 -1.301 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001420440232 926591983 /nfs/dbraw/zinc/59/19/83/926591983.db2.gz UFKUECHSCZAWGE-VIFPVBQESA-N 1 1 322.373 -1.002 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001420429365 926592415 /nfs/dbraw/zinc/59/24/15/926592415.db2.gz POJJVWMTBHBZCC-VIFPVBQESA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)Cn1ncn(C)c1=O ZINC001420437365 926592720 /nfs/dbraw/zinc/59/27/20/926592720.db2.gz KPGAGZQIHHNWRG-VIFPVBQESA-N 1 1 308.346 -1.995 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)[C@H](C)C(N)=O ZINC001420429690 926592746 /nfs/dbraw/zinc/59/27/46/926592746.db2.gz YBDRLBZFUHUKIL-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCc2nnnn2CC1)[C@H](C)C(N)=O ZINC001420429690 926592755 /nfs/dbraw/zinc/59/27/55/926592755.db2.gz YBDRLBZFUHUKIL-MNOVXSKESA-N 1 1 323.401 -1.063 20 0 DAADMO CC[N@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(=O)NC ZINC001420441512 926593037 /nfs/dbraw/zinc/59/30/37/926593037.db2.gz XXYXPLYJUXNZQB-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO CC[N@@H+](CCNC(=O)CN1CCC(=O)NC1=O)CC(=O)NC ZINC001420441512 926593043 /nfs/dbraw/zinc/59/30/43/926593043.db2.gz XXYXPLYJUXNZQB-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001420478599 926593982 /nfs/dbraw/zinc/59/39/82/926593982.db2.gz CCRNLYKLFZIOPD-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001420478599 926593990 /nfs/dbraw/zinc/59/39/90/926593990.db2.gz CCRNLYKLFZIOPD-JTQLQIEISA-N 1 1 300.359 -1.795 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001420479884 926594219 /nfs/dbraw/zinc/59/42/19/926594219.db2.gz FBTMRYRVKMFOLO-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)n1C)C[C@@H](O)COC ZINC001420461987 926594687 /nfs/dbraw/zinc/59/46/87/926594687.db2.gz VFJYPXSHXOHNMV-LLVKDONJSA-N 1 1 314.386 -1.217 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001420450877 926594957 /nfs/dbraw/zinc/59/49/57/926594957.db2.gz JTUKKCWMRVVNQE-UHFFFAOYSA-N 1 1 312.374 -1.590 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H](C)C[NH2+]Cc1nocc1C ZINC001420454832 926595034 /nfs/dbraw/zinc/59/50/34/926595034.db2.gz MZGXHKTXPXKHBI-VIFPVBQESA-N 1 1 319.387 -1.369 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001420535426 926598335 /nfs/dbraw/zinc/59/83/35/926598335.db2.gz DNLKHNROMPYRRR-RYUDHWBXSA-N 1 1 311.386 -1.209 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)COCc2nncn2C)C1 ZINC001420534460 926598528 /nfs/dbraw/zinc/59/85/28/926598528.db2.gz AGKXAPMZXLEECM-GHMZBOCLSA-N 1 1 324.385 -1.356 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001420535087 926599566 /nfs/dbraw/zinc/59/95/66/926599566.db2.gz CLIYHFZSXKVMTO-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001420528935 926599595 /nfs/dbraw/zinc/59/95/95/926599595.db2.gz DAHHBVDFOFRDGF-UWVGGRQHSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001420528935 926599603 /nfs/dbraw/zinc/59/96/03/926599603.db2.gz DAHHBVDFOFRDGF-UWVGGRQHSA-N 1 1 320.415 -1.474 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)NC(=O)c1cn(C)c(=O)n1C ZINC001420516555 926599946 /nfs/dbraw/zinc/59/99/46/926599946.db2.gz CRVURBDLTFBIGR-VIFPVBQESA-N 1 1 307.358 -1.240 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001420561022 926600866 /nfs/dbraw/zinc/60/08/66/926600866.db2.gz UYNLZAQTXFNPNZ-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001420560614 926600900 /nfs/dbraw/zinc/60/09/00/926600900.db2.gz BQNAFRKONCTHJR-WDEREUQCSA-N 1 1 323.415 -2.019 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001420551396 926600914 /nfs/dbraw/zinc/60/09/14/926600914.db2.gz FXNUGFGIXNVDHU-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001420551396 926600916 /nfs/dbraw/zinc/60/09/16/926600916.db2.gz FXNUGFGIXNVDHU-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cnccc2=O)C1 ZINC001420554954 926600923 /nfs/dbraw/zinc/60/09/23/926600923.db2.gz WOZPGKGSJIOBSJ-VXGBXAGGSA-N 1 1 321.381 -1.055 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001420561014 926601280 /nfs/dbraw/zinc/60/12/80/926601280.db2.gz UYNLZAQTXFNPNZ-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001420548166 926601944 /nfs/dbraw/zinc/60/19/44/926601944.db2.gz YGUQFIFIRDIPOA-KBPBESRZSA-N 1 1 324.425 -1.107 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001420548170 926602047 /nfs/dbraw/zinc/60/20/47/926602047.db2.gz YGUQFIFIRDIPOA-ZIAGYGMSSA-N 1 1 324.425 -1.107 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001420548094 926602221 /nfs/dbraw/zinc/60/22/21/926602221.db2.gz YOYKVZNWZGNILI-GFCCVEGCSA-N 1 1 321.385 -1.266 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001420555207 926602342 /nfs/dbraw/zinc/60/23/42/926602342.db2.gz XECRRDWUGVEAIT-QWRGUYRKSA-N 1 1 309.374 -1.235 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001420616998 926603003 /nfs/dbraw/zinc/60/30/03/926603003.db2.gz ZWHSBFANQLICFK-NSHDSACASA-N 1 1 322.431 -1.703 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)Cn2ncnn2)C1=O ZINC001420589984 926603694 /nfs/dbraw/zinc/60/36/94/926603694.db2.gz NGDHRLASUAVWAS-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001420589022 926603769 /nfs/dbraw/zinc/60/37/69/926603769.db2.gz FBGMWFXRRKSHOO-JTQLQIEISA-N 1 1 321.381 -1.095 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001420589022 926603774 /nfs/dbraw/zinc/60/37/74/926603774.db2.gz FBGMWFXRRKSHOO-JTQLQIEISA-N 1 1 321.381 -1.095 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603182 926604414 /nfs/dbraw/zinc/60/44/14/926604414.db2.gz TXONMKJFNZTXTN-NXEZZACHSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603182 926604419 /nfs/dbraw/zinc/60/44/19/926604419.db2.gz TXONMKJFNZTXTN-NXEZZACHSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603187 926604465 /nfs/dbraw/zinc/60/44/65/926604465.db2.gz TXONMKJFNZTXTN-UWVGGRQHSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603187 926604469 /nfs/dbraw/zinc/60/44/69/926604469.db2.gz TXONMKJFNZTXTN-UWVGGRQHSA-N 1 1 310.358 -2.093 20 0 DAADMO CCC[N@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NCC ZINC001420611651 926604479 /nfs/dbraw/zinc/60/44/79/926604479.db2.gz LFGJPCWFZQHJAG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CCC[N@@H+](CCNC(=O)[C@@H]1CN(C)C(=O)N1)CC(=O)NCC ZINC001420611651 926604483 /nfs/dbraw/zinc/60/44/83/926604483.db2.gz LFGJPCWFZQHJAG-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCNS(C)(=O)=O ZINC001420583379 926604634 /nfs/dbraw/zinc/60/46/34/926604634.db2.gz OETTVYYCFCLXJT-VIFPVBQESA-N 1 1 323.419 -2.099 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCNS(C)(=O)=O ZINC001420583379 926604639 /nfs/dbraw/zinc/60/46/39/926604639.db2.gz OETTVYYCFCLXJT-VIFPVBQESA-N 1 1 323.419 -2.099 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603195 926604706 /nfs/dbraw/zinc/60/47/06/926604706.db2.gz TXONMKJFNZTXTN-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001420603195 926604708 /nfs/dbraw/zinc/60/47/08/926604708.db2.gz TXONMKJFNZTXTN-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001420625771 926606241 /nfs/dbraw/zinc/60/62/41/926606241.db2.gz XUQPZXKDJBAXNA-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001420625771 926606247 /nfs/dbraw/zinc/60/62/47/926606247.db2.gz XUQPZXKDJBAXNA-VIFPVBQESA-N 1 1 318.341 -1.407 20 0 DAADMO C[C@H](CC(=O)NCC[N@H+](C1CC1)[C@H]1CCNC1=O)NC(N)=O ZINC001420640475 926606418 /nfs/dbraw/zinc/60/64/18/926606418.db2.gz BNBOVXAZARGYGD-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)NC(N)=O ZINC001420640475 926606423 /nfs/dbraw/zinc/60/64/23/926606423.db2.gz BNBOVXAZARGYGD-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O ZINC001420630373 926606661 /nfs/dbraw/zinc/60/66/61/926606661.db2.gz WZNYXFUNBMOHNF-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O ZINC001420630373 926606666 /nfs/dbraw/zinc/60/66/66/926606666.db2.gz WZNYXFUNBMOHNF-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001420624231 926606704 /nfs/dbraw/zinc/60/67/04/926606704.db2.gz PHKCNMZLATWGNB-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001420624231 926606708 /nfs/dbraw/zinc/60/67/08/926606708.db2.gz PHKCNMZLATWGNB-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628297 926606796 /nfs/dbraw/zinc/60/67/96/926606796.db2.gz UEDHHKMKINWURU-IUCAKERBSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001420628297 926606803 /nfs/dbraw/zinc/60/68/03/926606803.db2.gz UEDHHKMKINWURU-IUCAKERBSA-N 1 1 309.374 -1.073 20 0 DAADMO C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661408 926608218 /nfs/dbraw/zinc/60/82/18/926608218.db2.gz ONZPJZOUEDTQIZ-VXGBXAGGSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001420661408 926608226 /nfs/dbraw/zinc/60/82/26/926608226.db2.gz ONZPJZOUEDTQIZ-VXGBXAGGSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC001420659496 926608728 /nfs/dbraw/zinc/60/87/28/926608728.db2.gz KUKARQLFGGUQSM-JTQLQIEISA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)Cn1cncn1 ZINC001420672859 926608927 /nfs/dbraw/zinc/60/89/27/926608927.db2.gz XCHFSTASFGRHHY-LLVKDONJSA-N 1 1 309.374 -1.260 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001420670430 926609279 /nfs/dbraw/zinc/60/92/79/926609279.db2.gz HDDVDUXPFMIJEC-QWRGUYRKSA-N 1 1 312.370 -1.162 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001420684868 926610501 /nfs/dbraw/zinc/61/05/01/926610501.db2.gz NWJJVSCFIUSIQF-QWRGUYRKSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001420684868 926610505 /nfs/dbraw/zinc/61/05/05/926610505.db2.gz NWJJVSCFIUSIQF-QWRGUYRKSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C[NH2+][C@@H](C)c1nnnn1C)C1CC1 ZINC001420741576 926613916 /nfs/dbraw/zinc/61/39/16/926613916.db2.gz QPIXBMNTMLQWDY-WCBMZHEXSA-N 1 1 324.389 -1.316 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)NC1=O ZINC001420761670 926614760 /nfs/dbraw/zinc/61/47/60/926614760.db2.gz DXMOBTWYZPATIM-ZJUUUORDSA-N 1 1 322.373 -1.782 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001420792101 926616415 /nfs/dbraw/zinc/61/64/15/926616415.db2.gz BUKMHYITLOEGHW-STQMWFEESA-N 1 1 309.370 -1.429 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001420782964 926616487 /nfs/dbraw/zinc/61/64/87/926616487.db2.gz DCCUGAKXGYBYEM-TXEJJXNPSA-N 1 1 321.385 -1.118 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001420782964 926616493 /nfs/dbraw/zinc/61/64/93/926616493.db2.gz DCCUGAKXGYBYEM-TXEJJXNPSA-N 1 1 321.385 -1.118 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001420799427 926616764 /nfs/dbraw/zinc/61/67/64/926616764.db2.gz MDBCNZXZIZHPHZ-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001420792098 926616787 /nfs/dbraw/zinc/61/67/87/926616787.db2.gz BUKMHYITLOEGHW-OLZOCXBDSA-N 1 1 309.370 -1.429 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001420831222 926619310 /nfs/dbraw/zinc/61/93/10/926619310.db2.gz GUDKGIDRQIPGST-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001420807595 926619391 /nfs/dbraw/zinc/61/93/91/926619391.db2.gz BUXJSNHDIUKLNQ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CCCN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420807595 926619397 /nfs/dbraw/zinc/61/93/97/926619397.db2.gz BUXJSNHDIUKLNQ-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001420861456 926620444 /nfs/dbraw/zinc/62/04/44/926620444.db2.gz YYEMQNWIEDGVLW-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@@H](OC)C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001420861456 926620453 /nfs/dbraw/zinc/62/04/53/926620453.db2.gz YYEMQNWIEDGVLW-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420855248 926620911 /nfs/dbraw/zinc/62/09/11/926620911.db2.gz NKYVXEVAOVSDDP-NSHDSACASA-N 1 1 309.374 -1.411 20 0 DAADMO C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001420844909 926621033 /nfs/dbraw/zinc/62/10/33/926621033.db2.gz FKOKAGTVCXZSSL-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420846269 926621388 /nfs/dbraw/zinc/62/13/88/926621388.db2.gz FUTLRLZOKZURCF-QWRGUYRKSA-N 1 1 309.374 -1.364 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CN1CCCNC1=O ZINC001420863096 926621682 /nfs/dbraw/zinc/62/16/82/926621682.db2.gz JYGDIGDEQPOAJY-NWDGAFQWSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1cnc(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1=O ZINC001420864021 926623685 /nfs/dbraw/zinc/62/36/85/926623685.db2.gz VZMVAHRDSVWOLZ-SNVBAGLBSA-N 1 1 307.354 -1.293 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420881754 926624098 /nfs/dbraw/zinc/62/40/98/926624098.db2.gz ZHWZIYMFLIDCKD-UWVGGRQHSA-N 1 1 320.415 -1.762 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001420896838 926625466 /nfs/dbraw/zinc/62/54/66/926625466.db2.gz IOJGZJBTJHDPTO-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC001420896838 926625475 /nfs/dbraw/zinc/62/54/75/926625475.db2.gz IOJGZJBTJHDPTO-ZJUUUORDSA-N 1 1 323.353 -1.613 20 0 DAADMO NC(=O)NCCC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001420892031 926626374 /nfs/dbraw/zinc/62/63/74/926626374.db2.gz RWJDHNQGGKNVEA-QWRGUYRKSA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCCC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001420892033 926626406 /nfs/dbraw/zinc/62/64/06/926626406.db2.gz RWJDHNQGGKNVEA-WDEREUQCSA-N 1 1 311.386 -1.239 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1=O ZINC001420924011 926627141 /nfs/dbraw/zinc/62/71/41/926627141.db2.gz IQTIPLOSCMCHDR-JTQLQIEISA-N 1 1 307.354 -1.341 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001420916508 926627458 /nfs/dbraw/zinc/62/74/58/926627458.db2.gz YCNNWCHCFZHZEX-RYUDHWBXSA-N 1 1 323.401 -1.070 20 0 DAADMO Cn1cc(CNC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001420917421 926628048 /nfs/dbraw/zinc/62/80/48/926628048.db2.gz GSHONVONZPQIAZ-LBPRGKRZSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1cc(CNC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001420917421 926628054 /nfs/dbraw/zinc/62/80/54/926628054.db2.gz GSHONVONZPQIAZ-LBPRGKRZSA-N 1 1 308.386 -1.116 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001420948104 926629037 /nfs/dbraw/zinc/62/90/37/926629037.db2.gz WJZCFCBLQNCHRP-LLVKDONJSA-N 1 1 309.374 -1.411 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001420933471 926629190 /nfs/dbraw/zinc/62/91/90/926629190.db2.gz UGHUSJRKYYFTIY-JTQLQIEISA-N 1 1 323.357 -1.747 20 0 DAADMO CNC(=O)CCCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001420947735 926629254 /nfs/dbraw/zinc/62/92/54/926629254.db2.gz QSPBVDPCKLQUPP-UHFFFAOYSA-N 1 1 324.385 -1.237 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001420934030 926629353 /nfs/dbraw/zinc/62/93/53/926629353.db2.gz ZNODTUHXKKNAJW-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001420960419 926629671 /nfs/dbraw/zinc/62/96/71/926629671.db2.gz ZQGNTGSAQIOHPN-UWVGGRQHSA-N 1 1 318.399 -2.056 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001420949382 926629847 /nfs/dbraw/zinc/62/98/47/926629847.db2.gz YPOBHPBBZNBZON-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001420947908 926630036 /nfs/dbraw/zinc/63/00/36/926630036.db2.gz QUVAADRDBPMUJX-LLVKDONJSA-N 1 1 307.416 -1.172 20 0 DAADMO COc1ccc(C[NH2+]C2(CNC(=O)Cn3ncnn3)CC2)nn1 ZINC001420943038 926630181 /nfs/dbraw/zinc/63/01/81/926630181.db2.gz SVYPGDYDGMWNGD-UHFFFAOYSA-N 1 1 318.341 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001420934034 926630542 /nfs/dbraw/zinc/63/05/42/926630542.db2.gz ZNODTUHXKKNAJW-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2ncn[nH]2)CC1)NC1CCOCC1 ZINC001420981454 926632055 /nfs/dbraw/zinc/63/20/55/926632055.db2.gz HXTGMRHVTGCXBL-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO O=C(C[NH2+]C1(CNC(=O)c2nc[nH]n2)CC1)NC1CCOCC1 ZINC001420981454 926632063 /nfs/dbraw/zinc/63/20/63/926632063.db2.gz HXTGMRHVTGCXBL-UHFFFAOYSA-N 1 1 322.369 -1.048 20 0 DAADMO C[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001420968352 926632717 /nfs/dbraw/zinc/63/27/17/926632717.db2.gz LKHKBWYRXBONRX-LBPRGKRZSA-N 1 1 319.427 -1.159 20 0 DAADMO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001421015740 926634458 /nfs/dbraw/zinc/63/44/58/926634458.db2.gz VAZJQMVQBHCYGZ-RYUDHWBXSA-N 1 1 324.381 -1.782 20 0 DAADMO COCC[N@@H+](CC(N)=O)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001421019608 926634571 /nfs/dbraw/zinc/63/45/71/926634571.db2.gz BRKFETZRJHMAJA-UHFFFAOYSA-N 1 1 324.385 -1.147 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001421058151 926639114 /nfs/dbraw/zinc/63/91/14/926639114.db2.gz QAIQMWKGLPOVJV-GFCCVEGCSA-N 1 1 324.385 -1.684 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001421075470 926640902 /nfs/dbraw/zinc/64/09/02/926640902.db2.gz UXQVJBCUDXRGOE-UHFFFAOYSA-N 1 1 322.369 -1.033 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001421078568 926642686 /nfs/dbraw/zinc/64/26/86/926642686.db2.gz KMYCFBFBSXJPIZ-SNVBAGLBSA-N 1 1 307.416 -1.209 20 0 DAADMO CC(C)[NH+]1CC(N(C)C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001421086882 926643481 /nfs/dbraw/zinc/64/34/81/926643481.db2.gz CCMLURXBFWZVGR-SNVBAGLBSA-N 1 1 309.374 -1.271 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001421120713 926646228 /nfs/dbraw/zinc/64/62/28/926646228.db2.gz ODVLOAANPBWYBV-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001421126184 926646428 /nfs/dbraw/zinc/64/64/28/926646428.db2.gz KANJRKIDAQGPCX-GFCCVEGCSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001421116817 926646606 /nfs/dbraw/zinc/64/66/06/926646606.db2.gz WMBZCZVIKTVHSJ-GXSJLCMTSA-N 1 1 305.400 -1.361 20 0 DAADMO O=C(CCn1cnnn1)NCC1C[NH+](CC(=O)N2CCCC2)C1 ZINC001421166211 926651047 /nfs/dbraw/zinc/65/10/47/926651047.db2.gz KDZIVQVQFXIQPI-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)NC(=O)CN1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001421188412 926652718 /nfs/dbraw/zinc/65/27/18/926652718.db2.gz SETPAYFOULEMSR-UHFFFAOYSA-N 1 1 322.369 -1.305 20 0 DAADMO NC(=O)NCCC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001421188339 926653349 /nfs/dbraw/zinc/65/33/49/926653349.db2.gz NLUWMOBAAFMFTQ-GFCCVEGCSA-N 1 1 313.402 -1.744 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2cn(C)nn2)C1 ZINC001421195591 926654694 /nfs/dbraw/zinc/65/46/94/926654694.db2.gz WKPSYTKFIOBCQX-JTQLQIEISA-N 1 1 308.386 -1.070 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211820 926655113 /nfs/dbraw/zinc/65/51/13/926655113.db2.gz UMVGEWJJLIVVBH-BXKDBHETSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCCS(N)(=O)=O)C1 ZINC001421211820 926655119 /nfs/dbraw/zinc/65/51/19/926655119.db2.gz UMVGEWJJLIVVBH-BXKDBHETSA-N 1 1 320.415 -1.491 20 0 DAADMO CCCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421198197 926655306 /nfs/dbraw/zinc/65/53/06/926655306.db2.gz QUOAXKDRTLTHAV-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO CCCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001421198197 926655311 /nfs/dbraw/zinc/65/53/11/926655311.db2.gz QUOAXKDRTLTHAV-CYBMUJFWSA-N 1 1 309.374 -1.220 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001421212209 926655576 /nfs/dbraw/zinc/65/55/76/926655576.db2.gz COCULGUWFXMFLB-GXSJLCMTSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCS(N)(=O)=O ZINC001421216016 926656583 /nfs/dbraw/zinc/65/65/83/926656583.db2.gz IJLFUILGPPBBOT-VWYCJHECSA-N 1 1 305.400 -1.279 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001421213919 926656661 /nfs/dbraw/zinc/65/66/61/926656661.db2.gz PIVNXWRWNYSXSP-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001421241029 926656944 /nfs/dbraw/zinc/65/69/44/926656944.db2.gz ZTPWEVNEQIFXEK-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001421241029 926656953 /nfs/dbraw/zinc/65/69/53/926656953.db2.gz ZTPWEVNEQIFXEK-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421236495 926657491 /nfs/dbraw/zinc/65/74/91/926657491.db2.gz ADOWBZBYVMYHOA-WPRPVWTQSA-N 1 1 313.358 -2.697 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421236495 926657499 /nfs/dbraw/zinc/65/74/99/926657499.db2.gz ADOWBZBYVMYHOA-WPRPVWTQSA-N 1 1 313.358 -2.697 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001421241026 926657904 /nfs/dbraw/zinc/65/79/04/926657904.db2.gz ZTPWEVNEQIFXEK-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001421241026 926657917 /nfs/dbraw/zinc/65/79/17/926657917.db2.gz ZTPWEVNEQIFXEK-UWVGGRQHSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001421215554 926658375 /nfs/dbraw/zinc/65/83/75/926658375.db2.gz CSTXYAONUZWGMJ-GFCCVEGCSA-N 1 1 322.431 -1.655 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001421227949 926658388 /nfs/dbraw/zinc/65/83/88/926658388.db2.gz XQYOROWDZPZZIZ-HZMBPMFUSA-N 1 1 311.386 -1.273 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001421227949 926658393 /nfs/dbraw/zinc/65/83/93/926658393.db2.gz XQYOROWDZPZZIZ-HZMBPMFUSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001421229693 926658408 /nfs/dbraw/zinc/65/84/08/926658408.db2.gz ZTKIQVVBFTYWHU-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)S(C)(=O)=O ZINC001421229693 926658414 /nfs/dbraw/zinc/65/84/14/926658414.db2.gz ZTKIQVVBFTYWHU-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001421220522 926658432 /nfs/dbraw/zinc/65/84/32/926658432.db2.gz IAXPUHSIZHECAW-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001421220522 926658438 /nfs/dbraw/zinc/65/84/38/926658438.db2.gz IAXPUHSIZHECAW-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001421293171 926659619 /nfs/dbraw/zinc/65/96/19/926659619.db2.gz UJXYQBUGVAVIRP-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001421293171 926659627 /nfs/dbraw/zinc/65/96/27/926659627.db2.gz UJXYQBUGVAVIRP-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001421278771 926659916 /nfs/dbraw/zinc/65/99/16/926659916.db2.gz LMQBYMVEULRQRL-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421290129 926660359 /nfs/dbraw/zinc/66/03/59/926660359.db2.gz SSJLAFFLDNHBRH-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001421294150 926660544 /nfs/dbraw/zinc/66/05/44/926660544.db2.gz VZNUWTBEEXDYMJ-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001421294150 926660551 /nfs/dbraw/zinc/66/05/51/926660551.db2.gz VZNUWTBEEXDYMJ-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001421311260 926662219 /nfs/dbraw/zinc/66/22/19/926662219.db2.gz HSFXDAPMZYUGGT-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CCn2cnnn2)C1 ZINC001421318652 926662732 /nfs/dbraw/zinc/66/27/32/926662732.db2.gz XCIFICUYGBRSDD-QWRGUYRKSA-N 1 1 309.374 -1.140 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001421302964 926662853 /nfs/dbraw/zinc/66/28/53/926662853.db2.gz OYYAYEOBCWCHPM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001421302964 926662858 /nfs/dbraw/zinc/66/28/58/926662858.db2.gz OYYAYEOBCWCHPM-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421313611 926663514 /nfs/dbraw/zinc/66/35/14/926663514.db2.gz UUWGWWLYBAMVOJ-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001421313611 926663522 /nfs/dbraw/zinc/66/35/22/926663522.db2.gz UUWGWWLYBAMVOJ-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H]3CCCNC3=O)C2)cn1 ZINC001421325464 926664629 /nfs/dbraw/zinc/66/46/29/926664629.db2.gz CSJHHXCMLCVIIT-IUODEOHRSA-N 1 1 321.381 -1.135 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001421332876 926664743 /nfs/dbraw/zinc/66/47/43/926664743.db2.gz RWPHJGBQDBWRJB-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO CC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001421332876 926664751 /nfs/dbraw/zinc/66/47/51/926664751.db2.gz RWPHJGBQDBWRJB-OAHLLOKOSA-N 1 1 321.381 -1.026 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001421335474 926665178 /nfs/dbraw/zinc/66/51/78/926665178.db2.gz CSUGUJWWXKKGHK-NOZJJQNGSA-N 1 1 316.358 -1.983 20 0 DAADMO COC[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001421335474 926665187 /nfs/dbraw/zinc/66/51/87/926665187.db2.gz CSUGUJWWXKKGHK-NOZJJQNGSA-N 1 1 316.358 -1.983 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001421338429 926665532 /nfs/dbraw/zinc/66/55/32/926665532.db2.gz IZZROJJMIDLRHT-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)cn1 ZINC001421338429 926665541 /nfs/dbraw/zinc/66/55/41/926665541.db2.gz IZZROJJMIDLRHT-IINYFYTJSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001421338444 926667032 /nfs/dbraw/zinc/66/70/32/926667032.db2.gz IZZROJJMIDLRHT-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)cn1 ZINC001421338444 926667038 /nfs/dbraw/zinc/66/70/38/926667038.db2.gz IZZROJJMIDLRHT-YGRLFVJLSA-N 1 1 309.370 -1.057 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001421345882 926668081 /nfs/dbraw/zinc/66/80/81/926668081.db2.gz KSBPPPLPPLEENN-CQSZACIVSA-N 1 1 324.385 -1.695 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001421345882 926668089 /nfs/dbraw/zinc/66/80/89/926668089.db2.gz KSBPPPLPPLEENN-CQSZACIVSA-N 1 1 324.385 -1.695 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421344351 926668922 /nfs/dbraw/zinc/66/89/22/926668922.db2.gz FBNCUXIDXFRSLA-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421344351 926668930 /nfs/dbraw/zinc/66/89/30/926668930.db2.gz FBNCUXIDXFRSLA-CYBMUJFWSA-N 1 1 316.358 -2.823 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCn2cncn2)C1 ZINC001421342458 926669426 /nfs/dbraw/zinc/66/94/26/926669426.db2.gz UNXFGGXIQJVVQC-HIFRSBDPSA-N 1 1 322.413 -1.075 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421342458 926669436 /nfs/dbraw/zinc/66/94/36/926669436.db2.gz UNXFGGXIQJVVQC-HIFRSBDPSA-N 1 1 322.413 -1.075 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347360 926669532 /nfs/dbraw/zinc/66/95/32/926669532.db2.gz DEBDLHTWWIOUQX-IINYFYTJSA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001421347360 926669539 /nfs/dbraw/zinc/66/95/39/926669539.db2.gz DEBDLHTWWIOUQX-IINYFYTJSA-N 1 1 324.385 -1.575 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421340486 926670168 /nfs/dbraw/zinc/67/01/68/926670168.db2.gz OULAZCDNBUTLMH-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CCC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421340486 926670176 /nfs/dbraw/zinc/67/01/76/926670176.db2.gz OULAZCDNBUTLMH-QMTHXVAHSA-N 1 1 312.370 -2.046 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001421342173 926670313 /nfs/dbraw/zinc/67/03/13/926670313.db2.gz PTOHAZFIWPANSU-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cccn2)C1 ZINC001421342173 926670321 /nfs/dbraw/zinc/67/03/21/926670321.db2.gz PTOHAZFIWPANSU-OAHLLOKOSA-N 1 1 323.397 -1.086 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421343589 926670396 /nfs/dbraw/zinc/67/03/96/926670396.db2.gz XGZOMTQIQXRCEI-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001421343589 926670403 /nfs/dbraw/zinc/67/04/03/926670403.db2.gz XGZOMTQIQXRCEI-SWLSCSKDSA-N 1 1 321.381 -1.042 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2nccc(C)n2)C1 ZINC001421344887 926670617 /nfs/dbraw/zinc/67/06/17/926670617.db2.gz ICTLERKPDWDIKX-IUODEOHRSA-N 1 1 324.381 -1.041 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421349878 926672113 /nfs/dbraw/zinc/67/21/13/926672113.db2.gz RMTPVIFLEIJDNG-ABAIWWIYSA-N 1 1 321.381 -1.042 20 0 DAADMO CCn1nccc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421349878 926672123 /nfs/dbraw/zinc/67/21/23/926672123.db2.gz RMTPVIFLEIJDNG-ABAIWWIYSA-N 1 1 321.381 -1.042 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001421351966 926672436 /nfs/dbraw/zinc/67/24/36/926672436.db2.gz DGULAXRKQAQFKP-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421351966 926672445 /nfs/dbraw/zinc/67/24/45/926672445.db2.gz DGULAXRKQAQFKP-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO CCN(C(=O)CNC(=O)NC)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001421353858 926672555 /nfs/dbraw/zinc/67/25/55/926672555.db2.gz LAIRNXRHCCNPBS-NEPJUHHUSA-N 1 1 316.402 -1.155 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001421351470 926672612 /nfs/dbraw/zinc/67/26/12/926672612.db2.gz RKNRMCNCBCMRPB-CQSZACIVSA-N 1 1 317.386 -1.973 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001421348950 926673523 /nfs/dbraw/zinc/67/35/23/926673523.db2.gz NEXYUDJNPKPKNU-RISCZKNCSA-N 1 1 317.386 -1.975 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358915 926674022 /nfs/dbraw/zinc/67/40/22/926674022.db2.gz QWHZZVHXAWFHBS-XPTSAGLGSA-N 1 1 312.370 -1.220 20 0 DAADMO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1)C1CC1 ZINC001421358915 926674032 /nfs/dbraw/zinc/67/40/32/926674032.db2.gz QWHZZVHXAWFHBS-XPTSAGLGSA-N 1 1 312.370 -1.220 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2csnn2)C1 ZINC001421365301 926675117 /nfs/dbraw/zinc/67/51/17/926675117.db2.gz BTEBKSFSLPYAGI-SKDRFNHKSA-N 1 1 316.383 -1.288 20 0 DAADMO CN1C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)NC1=O ZINC001421366904 926675346 /nfs/dbraw/zinc/67/53/46/926675346.db2.gz FCDYALYGBIEMPM-ZWNOBZJWSA-N 1 1 300.359 -2.055 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001421360222 926675562 /nfs/dbraw/zinc/67/55/62/926675562.db2.gz MNHMRSKFKORILJ-FZMZJTMJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001421360222 926675566 /nfs/dbraw/zinc/67/55/66/926675566.db2.gz MNHMRSKFKORILJ-FZMZJTMJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1 ZINC001421369862 926675608 /nfs/dbraw/zinc/67/56/08/926675608.db2.gz XHVHASNWTYKENF-CYBMUJFWSA-N 1 1 320.357 -1.727 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421360767 926675651 /nfs/dbraw/zinc/67/56/51/926675651.db2.gz NLMWFRMGTADLEK-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001421360767 926675658 /nfs/dbraw/zinc/67/56/58/926675658.db2.gz NLMWFRMGTADLEK-ZDUSSCGKSA-N 1 1 310.358 -1.882 20 0 DAADMO Cc1cc(C)n(CCC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001421365121 926676217 /nfs/dbraw/zinc/67/62/17/926676217.db2.gz AXZMQSXYFKEASM-HNNXBMFYSA-N 1 1 323.397 -1.072 20 0 DAADMO Cc1cc(C)n(CCC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001421365121 926676226 /nfs/dbraw/zinc/67/62/26/926676226.db2.gz AXZMQSXYFKEASM-HNNXBMFYSA-N 1 1 323.397 -1.072 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001421365733 926676628 /nfs/dbraw/zinc/67/66/28/926676628.db2.gz YGVYFCQSTYBEJT-OCCSQVGLSA-N 1 1 312.370 -1.488 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001421363391 926676818 /nfs/dbraw/zinc/67/68/18/926676818.db2.gz PVDIAVZQALRATP-LKFCYVNXSA-N 1 1 320.353 -1.100 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001421363398 926677167 /nfs/dbraw/zinc/67/71/67/926677167.db2.gz PVDIAVZQALRATP-XPTSAGLGSA-N 1 1 320.353 -1.100 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001421370299 926678614 /nfs/dbraw/zinc/67/86/14/926678614.db2.gz RUUNHKGYLJKCQU-ABAIWWIYSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001421370299 926678623 /nfs/dbraw/zinc/67/86/23/926678623.db2.gz RUUNHKGYLJKCQU-ABAIWWIYSA-N 1 1 323.397 -1.302 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001421376331 926679246 /nfs/dbraw/zinc/67/92/46/926679246.db2.gz NSLGJVRCNPNHRB-OSAQELSMSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001421376331 926679256 /nfs/dbraw/zinc/67/92/56/926679256.db2.gz NSLGJVRCNPNHRB-OSAQELSMSA-N 1 1 311.382 -1.160 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001421375711 926679290 /nfs/dbraw/zinc/67/92/90/926679290.db2.gz KTKMMWVEDMEWSF-YGRLFVJLSA-N 1 1 310.354 -1.095 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421378770 926679364 /nfs/dbraw/zinc/67/93/64/926679364.db2.gz QVCGIKRAFYEUSK-IINYFYTJSA-N 1 1 310.354 -1.029 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001421370311 926679602 /nfs/dbraw/zinc/67/96/02/926679602.db2.gz RUUNHKGYLJKCQU-NHYWBVRUSA-N 1 1 323.397 -1.302 20 0 DAADMO Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001421370311 926679611 /nfs/dbraw/zinc/67/96/11/926679611.db2.gz RUUNHKGYLJKCQU-NHYWBVRUSA-N 1 1 323.397 -1.302 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389066 926682311 /nfs/dbraw/zinc/68/23/11/926682311.db2.gz LWRNLKKPSQNUEX-UKRRQHHQSA-N 1 1 315.414 -1.358 20 0 DAADMO Cn1ncnc1CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421385060 926682608 /nfs/dbraw/zinc/68/26/08/926682608.db2.gz GMKOCSLYYABBRH-WFASDCNBSA-N 1 1 322.413 -1.180 20 0 DAADMO Cc1noc(C)c1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421387408 926682761 /nfs/dbraw/zinc/68/27/61/926682761.db2.gz DJLDTKLDUFDOHL-AWEZNQCLSA-N 1 1 310.354 -1.128 20 0 DAADMO Cc1noc(C)c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421387408 926682776 /nfs/dbraw/zinc/68/27/76/926682776.db2.gz DJLDTKLDUFDOHL-AWEZNQCLSA-N 1 1 310.354 -1.128 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001421389367 926683121 /nfs/dbraw/zinc/68/31/21/926683121.db2.gz VJKZSIQIGYNFEL-QMTHXVAHSA-N 1 1 309.370 -1.231 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001421391007 926683158 /nfs/dbraw/zinc/68/31/58/926683158.db2.gz WKUHOMSHAMVING-HHHUMZEGSA-N 1 1 311.382 -1.434 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389831 926683295 /nfs/dbraw/zinc/68/32/95/926683295.db2.gz FNMAVJIEPXSCSL-YGRLFVJLSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421393089 926683701 /nfs/dbraw/zinc/68/37/01/926683701.db2.gz MAGQCVQIEPCGFQ-CQSZACIVSA-N 1 1 324.385 -1.469 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421393089 926683707 /nfs/dbraw/zinc/68/37/07/926683707.db2.gz MAGQCVQIEPCGFQ-CQSZACIVSA-N 1 1 324.385 -1.469 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391921 926684270 /nfs/dbraw/zinc/68/42/70/926684270.db2.gz NBFMEMZYNZSXOA-NOZJJQNGSA-N 1 1 311.342 -1.321 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2nonc2C)C1 ZINC001421391921 926684292 /nfs/dbraw/zinc/68/42/92/926684292.db2.gz NBFMEMZYNZSXOA-NOZJJQNGSA-N 1 1 311.342 -1.321 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001421389824 926684350 /nfs/dbraw/zinc/68/43/50/926684350.db2.gz FNMAVJIEPXSCSL-IINYFYTJSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1ncc(CN2CC[C@](O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421383674 926684811 /nfs/dbraw/zinc/68/48/11/926684811.db2.gz BYZVCQSTOONBBE-WFASDCNBSA-N 1 1 322.413 -1.180 20 0 DAADMO CCN1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001421389074 926685386 /nfs/dbraw/zinc/68/53/86/926685386.db2.gz LWRNLKKPSQNUEX-ZFWWWQNUSA-N 1 1 315.414 -1.358 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398785 926686506 /nfs/dbraw/zinc/68/65/06/926686506.db2.gz SMXLAAFNWHZOTK-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccncn2)C1 ZINC001421398785 926686514 /nfs/dbraw/zinc/68/65/14/926686514.db2.gz SMXLAAFNWHZOTK-CQSZACIVSA-N 1 1 307.354 -1.269 20 0 DAADMO Cc1ccn(CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c(=O)c1 ZINC001421395306 926687171 /nfs/dbraw/zinc/68/71/71/926687171.db2.gz XKQPCAFPACTXKM-OAHLLOKOSA-N 1 1 309.366 -1.298 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001421396315 926687517 /nfs/dbraw/zinc/68/75/17/926687517.db2.gz YZLLWCKNZPRFGU-AAEUAGOBSA-N 1 1 317.411 -1.359 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421394557 926687574 /nfs/dbraw/zinc/68/75/74/926687574.db2.gz UFMYZFAKJWPYOF-CQSZACIVSA-N 1 1 309.370 -1.298 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cccn2)C1 ZINC001421394557 926687584 /nfs/dbraw/zinc/68/75/84/926687584.db2.gz UFMYZFAKJWPYOF-CQSZACIVSA-N 1 1 309.370 -1.298 20 0 DAADMO COCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001421395596 926687610 /nfs/dbraw/zinc/68/76/10/926687610.db2.gz VOUVESDMTMECJU-OAHLLOKOSA-N 1 1 322.365 -1.007 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CC2CC2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001421396324 926687740 /nfs/dbraw/zinc/68/77/40/926687740.db2.gz YZLLWCKNZPRFGU-WCQYABFASA-N 1 1 317.411 -1.359 20 0 DAADMO O=C(C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001421398993 926688007 /nfs/dbraw/zinc/68/80/07/926688007.db2.gz OJIJORRRECHJAB-NHYWBVRUSA-N 1 1 324.381 -1.950 20 0 DAADMO O=C(C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001421398993 926688015 /nfs/dbraw/zinc/68/80/15/926688015.db2.gz OJIJORRRECHJAB-NHYWBVRUSA-N 1 1 324.381 -1.950 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)c(Cl)n1 ZINC001421403221 926688207 /nfs/dbraw/zinc/68/82/07/926688207.db2.gz DBIIHUWMBSXBML-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)c(Cl)n1 ZINC001421403221 926688219 /nfs/dbraw/zinc/68/82/19/926688219.db2.gz DBIIHUWMBSXBML-LBPRGKRZSA-N 1 1 315.761 -1.275 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001421396822 926688415 /nfs/dbraw/zinc/68/84/15/926688415.db2.gz SMXGWUUPLJCMDI-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CC(C)(C)[C@H](NC(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001421403114 926688503 /nfs/dbraw/zinc/68/85/03/926688503.db2.gz CVNZAUBTZJMBLS-QMTHXVAHSA-N 1 1 316.402 -1.385 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001421414175 926692567 /nfs/dbraw/zinc/69/25/67/926692567.db2.gz BKGPMSLWOICUAI-STQMWFEESA-N 1 1 314.382 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001421412371 926693079 /nfs/dbraw/zinc/69/30/79/926693079.db2.gz NKZFZGWBOZKLDP-IAQYHMDHSA-N 1 1 323.397 -1.350 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1COCCO1 ZINC001421414167 926693206 /nfs/dbraw/zinc/69/32/06/926693206.db2.gz BKGPMSLWOICUAI-OLZOCXBDSA-N 1 1 314.382 -1.009 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421414785 926693645 /nfs/dbraw/zinc/69/36/45/926693645.db2.gz APLGCPZHLYMHAA-RYUDHWBXSA-N 1 1 312.414 -1.280 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC)C2)c1 ZINC001421419089 926695429 /nfs/dbraw/zinc/69/54/29/926695429.db2.gz YFNFCWCTJJZLEG-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CCn1cnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC)C2)c1 ZINC001421419089 926695442 /nfs/dbraw/zinc/69/54/42/926695442.db2.gz YFNFCWCTJJZLEG-CQSZACIVSA-N 1 1 309.370 -1.184 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nnc(C)[nH]1 ZINC001421416667 926696075 /nfs/dbraw/zinc/69/60/75/926696075.db2.gz HFBWMHFVQCVZNW-SNVBAGLBSA-N 1 1 322.373 -1.307 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001421427161 926698086 /nfs/dbraw/zinc/69/80/86/926698086.db2.gz PYKYATVFQKCVCO-ZDUSSCGKSA-N 1 1 323.397 -1.623 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(CCn3cccn3)C2)C1 ZINC001421427161 926698093 /nfs/dbraw/zinc/69/80/93/926698093.db2.gz PYKYATVFQKCVCO-ZDUSSCGKSA-N 1 1 323.397 -1.623 20 0 DAADMO CCCC[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001421448695 926705676 /nfs/dbraw/zinc/70/56/76/926705676.db2.gz YNSUFTBIMQKPBK-UHFFFAOYSA-N 1 1 324.381 -1.490 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001421484954 926715433 /nfs/dbraw/zinc/71/54/33/926715433.db2.gz VESFKRRQNFDMDA-UHFFFAOYSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)[NH2+]Cc1cnon1 ZINC001421482618 926715844 /nfs/dbraw/zinc/71/58/44/926715844.db2.gz QTIMTBAFMBHSEZ-SNVBAGLBSA-N 1 1 323.357 -1.042 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN([C@@H](C)C(=O)N(C)C)C1 ZINC001421494446 926717364 /nfs/dbraw/zinc/71/73/64/926717364.db2.gz IOGNOVQKVJTTNF-LBPRGKRZSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)[NH2+]CC(N)=O ZINC001421490111 926717735 /nfs/dbraw/zinc/71/77/35/926717735.db2.gz NODGYRBXALLLCV-NWDGAFQWSA-N 1 1 300.403 -1.076 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(CC(=O)N(C)C)C1 ZINC001421490772 926717931 /nfs/dbraw/zinc/71/79/31/926717931.db2.gz BSRKMKGUJOPHKR-UHFFFAOYSA-N 1 1 300.403 -1.421 20 0 DAADMO CCn1ncc(CN2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001421500354 926720143 /nfs/dbraw/zinc/72/01/43/926720143.db2.gz QBTSHGWGOQEUOS-LBPRGKRZSA-N 1 1 322.413 -1.087 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001421512612 926722486 /nfs/dbraw/zinc/72/24/86/926722486.db2.gz JJUXPHSYUFBENP-AXFHLTTASA-N 1 1 322.406 -1.021 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001421502374 926722815 /nfs/dbraw/zinc/72/28/15/926722815.db2.gz JWPDGAFPYRFEJT-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001421502369 926723385 /nfs/dbraw/zinc/72/33/85/926723385.db2.gz JWPDGAFPYRFEJT-NEPJUHHUSA-N 1 1 312.414 -1.103 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001421550882 926724178 /nfs/dbraw/zinc/72/41/78/926724178.db2.gz YHWBUJDCEXVBJZ-MMWGEVLESA-N 1 1 311.386 -1.112 20 0 DAADMO C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001421572020 926727337 /nfs/dbraw/zinc/72/73/37/926727337.db2.gz BHKHNRKCOKMERO-WISYIIOYSA-N 1 1 324.381 -1.004 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001421589498 926727646 /nfs/dbraw/zinc/72/76/46/926727646.db2.gz AWAZXRPLPJGOSU-SMDDNHRTSA-N 1 1 300.355 -1.125 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001421570127 926727680 /nfs/dbraw/zinc/72/76/80/926727680.db2.gz SEACJVDJLNOHOT-TUAOUCFPSA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]2C1 ZINC001421577838 926727830 /nfs/dbraw/zinc/72/78/30/926727830.db2.gz NTZUCRLWGNYHHE-UTUOFQBUSA-N 1 1 319.427 -1.351 20 0 DAADMO Cn1cnnc1COCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001421577646 926727941 /nfs/dbraw/zinc/72/79/41/926727941.db2.gz NBUZVYZTBJMCNE-TXEJJXNPSA-N 1 1 309.370 -1.286 20 0 DAADMO CCC(=O)NCC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001421563178 926728213 /nfs/dbraw/zinc/72/82/13/926728213.db2.gz PDQFWICVQJOLQZ-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@H]3C2)C1 ZINC001421570655 926728342 /nfs/dbraw/zinc/72/83/42/926728342.db2.gz WLJOYXIJRCKWIG-YFKTTZPYSA-N 1 1 324.381 -1.004 20 0 DAADMO O=C(N[C@@]1(CO)CCC[N@H+](CCCO)C1)[C@H]1COCCO1 ZINC001421593302 926729698 /nfs/dbraw/zinc/72/96/98/926729698.db2.gz BPJWYXCYWLACDZ-OCCSQVGLSA-N 1 1 302.371 -1.273 20 0 DAADMO CNC(=O)CN1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421599837 926729765 /nfs/dbraw/zinc/72/97/65/926729765.db2.gz BNFOAJWEJPKOLN-WFASDCNBSA-N 1 1 312.414 -1.230 20 0 DAADMO CNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421599776 926730799 /nfs/dbraw/zinc/73/07/99/926730799.db2.gz BNFOAJWEJPKOLN-IUODEOHRSA-N 1 1 312.414 -1.230 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccn[nH]2)C1 ZINC001421602565 926731249 /nfs/dbraw/zinc/73/12/49/926731249.db2.gz XLUSEPCJTUIJGZ-RISCZKNCSA-N 1 1 312.370 -1.026 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cn[nH]n2)C1 ZINC001421606160 926733267 /nfs/dbraw/zinc/73/32/67/926733267.db2.gz FGEWCBGLTBCBEB-ZWNOBZJWSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001421606160 926733275 /nfs/dbraw/zinc/73/32/75/926733275.db2.gz FGEWCBGLTBCBEB-ZWNOBZJWSA-N 1 1 313.358 -1.631 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cnn[nH]2)C1 ZINC001421606160 926733281 /nfs/dbraw/zinc/73/32/81/926733281.db2.gz FGEWCBGLTBCBEB-ZWNOBZJWSA-N 1 1 313.358 -1.631 20 0 DAADMO Cn1nc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)ccc1=O ZINC001421609864 926734498 /nfs/dbraw/zinc/73/44/98/926734498.db2.gz GJJAQXSMBMORQB-HNNXBMFYSA-N 1 1 324.381 -1.281 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O)NC(N)=O ZINC001421607485 926734810 /nfs/dbraw/zinc/73/48/10/926734810.db2.gz BCNDAPZWKXKHHT-OUAUKWLOSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O)NC(N)=O ZINC001421607485 926734820 /nfs/dbraw/zinc/73/48/20/926734820.db2.gz BCNDAPZWKXKHHT-OUAUKWLOSA-N 1 1 311.386 -1.016 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001421620111 926735015 /nfs/dbraw/zinc/73/50/15/926735015.db2.gz OQCWDBIMTGEOHB-QMTHXVAHSA-N 1 1 310.354 -1.293 20 0 DAADMO CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001421636425 926736314 /nfs/dbraw/zinc/73/63/14/926736314.db2.gz OHRZYLWFIJKECX-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO CCN1CC[C@@H]([NH2+]CCN(CCO)C(=O)Cc2ccn[nH]2)C1=O ZINC001421632753 926736337 /nfs/dbraw/zinc/73/63/37/926736337.db2.gz BMORPFBANKXFHL-CYBMUJFWSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001421644419 926739416 /nfs/dbraw/zinc/73/94/16/926739416.db2.gz MEXXEAYGRWWYAP-LPEHRKFASA-N 1 1 324.389 -1.092 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)C1 ZINC001421677042 926741514 /nfs/dbraw/zinc/74/15/14/926741514.db2.gz JUHGJKJZRYMHRH-SECBINFHSA-N 1 1 309.374 -1.470 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 ZINC001421737494 926749476 /nfs/dbraw/zinc/74/94/76/926749476.db2.gz QLBNAGKBKVQLHP-JTQLQIEISA-N 1 1 321.385 -1.135 20 0 DAADMO C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1nnn(C)n1 ZINC001421722823 926749885 /nfs/dbraw/zinc/74/98/85/926749885.db2.gz ULPJOLBEWDFLPZ-QMMMGPOBSA-N 1 1 308.346 -1.195 20 0 DAADMO CN1C[C@@H](C(=O)NCC2([NH2+]Cc3nnnn3C)CCC2)NC1=O ZINC001421755661 926752919 /nfs/dbraw/zinc/75/29/19/926752919.db2.gz AMPRQKPENFVMOC-VIFPVBQESA-N 1 1 322.373 -1.638 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@H+](CCCF)CCO2)c1=O ZINC001421802651 926756961 /nfs/dbraw/zinc/75/69/61/926756961.db2.gz SQQFFZHZDSOBGZ-NSHDSACASA-N 1 1 315.349 -1.242 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CCCF)CCO2)c1=O ZINC001421802651 926756975 /nfs/dbraw/zinc/75/69/75/926756975.db2.gz SQQFFZHZDSOBGZ-NSHDSACASA-N 1 1 315.349 -1.242 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421803917 926759849 /nfs/dbraw/zinc/75/98/49/926759849.db2.gz VERMPJCEQVZLLU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001421803917 926759857 /nfs/dbraw/zinc/75/98/57/926759857.db2.gz VERMPJCEQVZLLU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CO[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809427 926760059 /nfs/dbraw/zinc/76/00/59/926760059.db2.gz QUKVHDNIHKKDRO-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001421809427 926760070 /nfs/dbraw/zinc/76/00/70/926760070.db2.gz QUKVHDNIHKKDRO-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO C[C@H](O)CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807045 926760354 /nfs/dbraw/zinc/76/03/54/926760354.db2.gz MVULGTGNOKTKCH-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@H](O)CCC[N@H+]1CCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001421807045 926760364 /nfs/dbraw/zinc/76/03/64/926760364.db2.gz MVULGTGNOKTKCH-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421813277 926764268 /nfs/dbraw/zinc/76/42/68/926764268.db2.gz CJUMVXKIJKFEMU-JQWIXIFHSA-N 1 1 309.370 -1.109 20 0 DAADMO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)Cn1cnnn1 ZINC001421828304 926764438 /nfs/dbraw/zinc/76/44/38/926764438.db2.gz HIKOEXZIQXWFOL-UHFFFAOYSA-N 1 1 307.362 -1.255 20 0 DAADMO CNC(=O)NCC(=O)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001421856838 926766242 /nfs/dbraw/zinc/76/62/42/926766242.db2.gz ALNCADDUUMZQQF-LLVKDONJSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnnn1C)n1cncn1 ZINC001421884561 926767022 /nfs/dbraw/zinc/76/70/22/926767022.db2.gz GJXKJKOYEQZBRF-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](CCF)CC1 ZINC001421837872 926767061 /nfs/dbraw/zinc/76/70/61/926767061.db2.gz YBWBDKQHWBJNMM-JTQLQIEISA-N 1 1 310.395 -1.020 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)CCCC(N)=O)CCO2)nn1 ZINC001421829215 926768013 /nfs/dbraw/zinc/76/80/13/926768013.db2.gz SPDQWMIYNUCEOU-LBPRGKRZSA-N 1 1 324.385 -1.212 20 0 DAADMO NC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC001421915737 926771956 /nfs/dbraw/zinc/77/19/56/926771956.db2.gz KNYPQYGCXIMIOK-NWDGAFQWSA-N 1 1 302.371 -1.145 20 0 DAADMO NC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC001421915737 926771962 /nfs/dbraw/zinc/77/19/62/926771962.db2.gz KNYPQYGCXIMIOK-NWDGAFQWSA-N 1 1 302.371 -1.145 20 0 DAADMO CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)O2 ZINC001421922442 926772362 /nfs/dbraw/zinc/77/23/62/926772362.db2.gz XGICWUMFLKBNRU-JTQLQIEISA-N 1 1 322.369 -1.254 20 0 DAADMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001421918566 926773013 /nfs/dbraw/zinc/77/30/13/926773013.db2.gz SGSMEZIUBFSLQB-RYUDHWBXSA-N 1 1 310.354 -1.002 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001421950871 926775299 /nfs/dbraw/zinc/77/52/99/926775299.db2.gz WXXFMMMABPCMGO-JTQLQIEISA-N 1 1 320.415 -1.592 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001421934602 926776148 /nfs/dbraw/zinc/77/61/48/926776148.db2.gz OBDIWYNXWKUMFI-DTWKUNHWSA-N 1 1 310.362 -1.830 20 0 DAADMO NC(=O)CN[C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001421974981 926778832 /nfs/dbraw/zinc/77/88/32/926778832.db2.gz ZPRNDCWAVXWDDT-XJKSGUPXSA-N 1 1 324.425 -1.243 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](CC[S@@](=O)C(F)(F)F)C[C@H]1C(N)=O ZINC001422053861 926782994 /nfs/dbraw/zinc/78/29/94/926782994.db2.gz RRQLOECWOCFQBP-QHVZADHASA-N 1 1 301.290 -1.227 20 0 DAADMO C[C@H](C(=O)Nc1nccs1)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422046419 926783911 /nfs/dbraw/zinc/78/39/11/926783911.db2.gz FPKBIJQKCCYABI-BWZBUEFSSA-N 1 1 311.367 -1.011 20 0 DAADMO NC(=O)[C@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C(N)=O ZINC001422050119 926784626 /nfs/dbraw/zinc/78/46/26/926784626.db2.gz NDXNXNRDSXKIPC-DTORHVGOSA-N 1 1 304.310 -1.959 20 0 DAADMO C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422046424 926785135 /nfs/dbraw/zinc/78/51/35/926785135.db2.gz FPKBIJQKCCYABI-PRJMDXOYSA-N 1 1 311.367 -1.011 20 0 DAADMO C[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422046424 926785147 /nfs/dbraw/zinc/78/51/47/926785147.db2.gz FPKBIJQKCCYABI-PRJMDXOYSA-N 1 1 311.367 -1.011 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC001422114385 926789453 /nfs/dbraw/zinc/78/94/53/926789453.db2.gz AJXZEBHFBVGGSP-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC001422114387 926790563 /nfs/dbraw/zinc/79/05/63/926790563.db2.gz AJXZEBHFBVGGSP-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO NC(=O)C[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001422103675 926791087 /nfs/dbraw/zinc/79/10/87/926791087.db2.gz RHZNTWNBELRWRG-UHFFFAOYSA-N 1 1 310.358 -1.834 20 0 DAADMO NC(=O)C[NH2+]CC1(O)CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001422103675 926791101 /nfs/dbraw/zinc/79/11/01/926791101.db2.gz RHZNTWNBELRWRG-UHFFFAOYSA-N 1 1 310.358 -1.834 20 0 DAADMO C[C@@H](CCNC(=O)CCc1cnn(C)n1)[NH2+]Cc1nnn(C)n1 ZINC001422159682 926792468 /nfs/dbraw/zinc/79/24/68/926792468.db2.gz JNLWTFKYZYNUQR-JTQLQIEISA-N 1 1 321.389 -1.044 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001422161627 926792613 /nfs/dbraw/zinc/79/26/13/926792613.db2.gz WPLZGIJAEXJXKN-UHFFFAOYSA-N 1 1 301.391 -1.216 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001422161627 926792622 /nfs/dbraw/zinc/79/26/22/926792622.db2.gz WPLZGIJAEXJXKN-UHFFFAOYSA-N 1 1 301.391 -1.216 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)C(C)(C)O)CC1 ZINC001422142888 926792835 /nfs/dbraw/zinc/79/28/35/926792835.db2.gz KUTVUFMRHXDQLP-LBPRGKRZSA-N 1 1 301.387 -1.211 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001422161229 926793817 /nfs/dbraw/zinc/79/38/17/926793817.db2.gz KQSDSCJZRWYVSH-JTQLQIEISA-N 1 1 312.374 -1.198 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O)nn1 ZINC001422161229 926793837 /nfs/dbraw/zinc/79/38/37/926793837.db2.gz KQSDSCJZRWYVSH-JTQLQIEISA-N 1 1 312.374 -1.198 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001422161230 926794272 /nfs/dbraw/zinc/79/42/72/926794272.db2.gz KQSDSCJZRWYVSH-SNVBAGLBSA-N 1 1 312.374 -1.198 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001422161230 926794282 /nfs/dbraw/zinc/79/42/82/926794282.db2.gz KQSDSCJZRWYVSH-SNVBAGLBSA-N 1 1 312.374 -1.198 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001422169552 926794815 /nfs/dbraw/zinc/79/48/15/926794815.db2.gz OFSPNOHAMSGVDG-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001422169552 926794822 /nfs/dbraw/zinc/79/48/22/926794822.db2.gz OFSPNOHAMSGVDG-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422180229 926796650 /nfs/dbraw/zinc/79/66/50/926796650.db2.gz AREFEPXVUHSMAW-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422180229 926796655 /nfs/dbraw/zinc/79/66/55/926796655.db2.gz AREFEPXVUHSMAW-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001422183554 926797062 /nfs/dbraw/zinc/79/70/62/926797062.db2.gz RDVJBARCMUIEOX-SECBINFHSA-N 1 1 315.374 -1.656 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001422183554 926797068 /nfs/dbraw/zinc/79/70/68/926797068.db2.gz RDVJBARCMUIEOX-SECBINFHSA-N 1 1 315.374 -1.656 20 0 DAADMO CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422180232 926798092 /nfs/dbraw/zinc/79/80/92/926798092.db2.gz AREFEPXVUHSMAW-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422180232 926798105 /nfs/dbraw/zinc/79/81/05/926798105.db2.gz AREFEPXVUHSMAW-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cn2ccnc2)CC1 ZINC001422198154 926799127 /nfs/dbraw/zinc/79/91/27/926799127.db2.gz XDYVIPXQPWVNMQ-NSHDSACASA-N 1 1 309.370 -1.300 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1(CO)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001422203716 926799395 /nfs/dbraw/zinc/79/93/95/926799395.db2.gz INWLYGUNHVTUCH-SECBINFHSA-N 1 1 310.358 -1.456 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)CCCS(N)(=O)=O ZINC001422196453 926799666 /nfs/dbraw/zinc/79/96/66/926799666.db2.gz QPSZMVADHARPBW-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCCS(N)(=O)=O ZINC001422196453 926799678 /nfs/dbraw/zinc/79/96/78/926799678.db2.gz QPSZMVADHARPBW-JTQLQIEISA-N 1 1 320.415 -1.666 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001422202290 926800059 /nfs/dbraw/zinc/80/00/59/926800059.db2.gz YKENOBHENZPSBU-NWDGAFQWSA-N 1 1 313.398 -1.165 20 0 DAADMO CNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H]2COCCO2)CC1 ZINC001422196829 926800204 /nfs/dbraw/zinc/80/02/04/926800204.db2.gz NTEMWVHSOAWIGF-LLVKDONJSA-N 1 1 315.370 -1.909 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422202289 926800591 /nfs/dbraw/zinc/80/05/91/926800591.db2.gz VFOHWKUJJVGXON-YIZRAAEISA-N 1 1 313.358 -1.919 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422202289 926800600 /nfs/dbraw/zinc/80/06/00/926800600.db2.gz VFOHWKUJJVGXON-YIZRAAEISA-N 1 1 313.358 -1.919 20 0 DAADMO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001422211301 926800631 /nfs/dbraw/zinc/80/06/31/926800631.db2.gz QOJMQWSLGZDHRL-LLVKDONJSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001422199770 926800767 /nfs/dbraw/zinc/80/07/67/926800767.db2.gz YPBHYWCUWSQCGS-SECBINFHSA-N 1 1 308.404 -1.681 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001422199770 926800775 /nfs/dbraw/zinc/80/07/75/926800775.db2.gz YPBHYWCUWSQCGS-SECBINFHSA-N 1 1 308.404 -1.681 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@@H](C)CC(N)=O)CC1 ZINC001422207000 926800870 /nfs/dbraw/zinc/80/08/70/926800870.db2.gz RQDCLGGEDUVVKE-VHSXEESVSA-N 1 1 314.386 -1.685 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)[C@@H]1CCOC1 ZINC001422196890 926801067 /nfs/dbraw/zinc/80/10/67/926801067.db2.gz ONPHNDYJXQWAMO-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@H+](C)CCF ZINC001422221742 926802167 /nfs/dbraw/zinc/80/21/67/926802167.db2.gz DMYGVHBKLWXPHK-JTQLQIEISA-N 1 1 315.353 -1.463 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)CCF ZINC001422221742 926802176 /nfs/dbraw/zinc/80/21/76/926802176.db2.gz DMYGVHBKLWXPHK-JTQLQIEISA-N 1 1 315.353 -1.463 20 0 DAADMO CN1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422255722 926803067 /nfs/dbraw/zinc/80/30/67/926803067.db2.gz LVNUDLDAXIQORB-ILDUYXDCSA-N 1 1 311.386 -1.240 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CCNC(N)=O)[C@H]1CCNC1=O ZINC001422250216 926803605 /nfs/dbraw/zinc/80/36/05/926803605.db2.gz FTFADWNQCLRQBM-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN(C)C(=O)CN1CCC[N@H+](CCS(=O)(=O)N(C)C)CC1 ZINC001422253658 926803872 /nfs/dbraw/zinc/80/38/72/926803872.db2.gz QCDUPUALRZGFFU-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CN(C)C(=O)CN1CCC[N@@H+](CCS(=O)(=O)N(C)C)CC1 ZINC001422253658 926803887 /nfs/dbraw/zinc/80/38/87/926803887.db2.gz QCDUPUALRZGFFU-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(CCS(=O)(=O)N(C)C)CC1 ZINC001422253658 926803899 /nfs/dbraw/zinc/80/38/99/926803899.db2.gz QCDUPUALRZGFFU-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(CCS(=O)(=O)N(C)C)CC1 ZINC001422253658 926803912 /nfs/dbraw/zinc/80/39/12/926803912.db2.gz QCDUPUALRZGFFU-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CC(C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422231929 926804428 /nfs/dbraw/zinc/80/44/28/926804428.db2.gz QDMNAQCDJASLPL-LLVKDONJSA-N 1 1 311.390 -1.024 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001422252965 926804720 /nfs/dbraw/zinc/80/47/20/926804720.db2.gz FVOLROSTWSCAEO-GHMZBOCLSA-N 1 1 322.406 -1.068 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]nc(C)c1C ZINC001422270592 926806328 /nfs/dbraw/zinc/80/63/28/926806328.db2.gz YVIWSBWDHKRKPV-GHMZBOCLSA-N 1 1 300.359 -1.286 20 0 DAADMO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001422267595 926806569 /nfs/dbraw/zinc/80/65/69/926806569.db2.gz SGJMNHZRFXVSNT-SECBINFHSA-N 1 1 315.399 -1.061 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc2n1CCOC2)c1cocn1 ZINC001422267641 926807263 /nfs/dbraw/zinc/80/72/63/926807263.db2.gz SNCBZRQUBAHCCG-SECBINFHSA-N 1 1 322.325 -1.323 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)nn1 ZINC001422277130 926809654 /nfs/dbraw/zinc/80/96/54/926809654.db2.gz SIVBTLKBPQQFJP-NEPJUHHUSA-N 1 1 312.374 -2.288 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)nn1 ZINC001422277133 926810179 /nfs/dbraw/zinc/81/01/79/926810179.db2.gz SIVBTLKBPQQFJP-VXGBXAGGSA-N 1 1 312.374 -2.288 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnccn1 ZINC001422281969 926813220 /nfs/dbraw/zinc/81/32/20/926813220.db2.gz LKIPZGAWTHXVRL-SNVBAGLBSA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001422284173 926813285 /nfs/dbraw/zinc/81/32/85/926813285.db2.gz RUSOKFFTACIQJD-LLVKDONJSA-N 1 1 312.374 -1.657 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CCn1ccnn1 ZINC001422291628 926816519 /nfs/dbraw/zinc/81/65/19/926816519.db2.gz BEEYMYOEDSWIAD-JTQLQIEISA-N 1 1 308.346 -1.936 20 0 DAADMO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CCc2nc[nH]n2)C1=O ZINC001422288359 926816540 /nfs/dbraw/zinc/81/65/40/926816540.db2.gz PLOCJEKZOFOAOD-QWRGUYRKSA-N 1 1 324.385 -1.575 20 0 DAADMO CCn1ccnc1C(=O)NC[C@H](O)C[NH2+][C@H](C)c1nnnn1C ZINC001422300244 926818669 /nfs/dbraw/zinc/81/86/69/926818669.db2.gz RBNYPYNMVMJXIS-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2CN(C(C)=O)C2)n1 ZINC001422296724 926819333 /nfs/dbraw/zinc/81/93/33/926819333.db2.gz KYUBYFXFKAEJSV-CYBMUJFWSA-N 1 1 324.385 -1.657 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)n1 ZINC001422302808 926819419 /nfs/dbraw/zinc/81/94/19/926819419.db2.gz UTYWYVOCCCAPLS-UWVGGRQHSA-N 1 1 312.330 -2.027 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)n1 ZINC001422302806 926819442 /nfs/dbraw/zinc/81/94/42/926819442.db2.gz UTYWYVOCCCAPLS-NXEZZACHSA-N 1 1 312.330 -2.027 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001422313680 926824186 /nfs/dbraw/zinc/82/41/86/926824186.db2.gz MUKYUCOREQPDDQ-ZJUUUORDSA-N 1 1 323.397 -1.229 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2)C(N)=O ZINC001422313640 926824221 /nfs/dbraw/zinc/82/42/21/926824221.db2.gz MUKYUCOREQPDDQ-NXEZZACHSA-N 1 1 323.397 -1.229 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cc3n(n2)CCO3)nn1 ZINC001422314994 926824502 /nfs/dbraw/zinc/82/45/02/926824502.db2.gz MOXAKKBUQCZHOH-JTQLQIEISA-N 1 1 321.341 -1.716 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)nn1 ZINC001422313972 926825311 /nfs/dbraw/zinc/82/53/11/926825311.db2.gz NJHSJLIRPUKMDG-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001422312618 926825591 /nfs/dbraw/zinc/82/55/91/926825591.db2.gz KSCWXJNKPQJJMQ-NSHDSACASA-N 1 1 308.342 -1.079 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)Cn2ncnn2)nc1 ZINC001422314879 926825904 /nfs/dbraw/zinc/82/59/04/926825904.db2.gz OSDSRZPPOCWOBQ-JTQLQIEISA-N 1 1 306.330 -1.962 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001422311248 926826478 /nfs/dbraw/zinc/82/64/78/926826478.db2.gz DDYXJQGBYZSAAU-RKDXNWHRSA-N 1 1 315.399 -1.158 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001422323942 926827255 /nfs/dbraw/zinc/82/72/55/926827255.db2.gz PQLUBGHARNKESE-SECBINFHSA-N 1 1 320.357 -1.767 20 0 DAADMO Cc1cc(OCC(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)no1 ZINC001422321107 926829331 /nfs/dbraw/zinc/82/93/31/926829331.db2.gz WLHIQKHDWMPJKK-SNVBAGLBSA-N 1 1 324.341 -1.243 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001422324861 926830947 /nfs/dbraw/zinc/83/09/47/926830947.db2.gz FCYUJOKSIRLZSE-QMMMGPOBSA-N 1 1 320.357 -1.698 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCc2nccn2C)nn1 ZINC001422325077 926831044 /nfs/dbraw/zinc/83/10/44/926831044.db2.gz FRCSZDARTFBSTA-GFCCVEGCSA-N 1 1 321.385 -1.252 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]Cc1nnnn1C ZINC001422325554 926831239 /nfs/dbraw/zinc/83/12/39/926831239.db2.gz MPQJFNDTBCCIQJ-HTQZYQBOSA-N 1 1 316.387 -1.763 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001422327715 926831579 /nfs/dbraw/zinc/83/15/79/926831579.db2.gz BXRXULGDFPIEGT-VIFPVBQESA-N 1 1 307.372 -1.724 20 0 DAADMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001422330793 926832315 /nfs/dbraw/zinc/83/23/15/926832315.db2.gz YZLRSHKBODYXIG-RRFJBIMHSA-N 1 1 318.414 -1.222 20 0 DAADMO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)nn1 ZINC001422335479 926833482 /nfs/dbraw/zinc/83/34/82/926833482.db2.gz XTIJQUPJHDNDDJ-VIFPVBQESA-N 1 1 307.314 -1.516 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CCc1cnc[nH]1 ZINC001422333045 926833537 /nfs/dbraw/zinc/83/35/37/926833537.db2.gz XLDMQNSMDRWXDN-GFCCVEGCSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)[nH]1 ZINC001422335319 926833758 /nfs/dbraw/zinc/83/37/58/926833758.db2.gz BJRLFWCIICZGTG-GHMZBOCLSA-N 1 1 324.385 -1.452 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCN(C)C(=O)C2)[nH]1 ZINC001422335325 926834389 /nfs/dbraw/zinc/83/43/89/926834389.db2.gz BJRLFWCIICZGTG-MNOVXSKESA-N 1 1 324.385 -1.452 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422331413 926835269 /nfs/dbraw/zinc/83/52/69/926835269.db2.gz MRMANJYFWIJVPG-DTWKUNHWSA-N 1 1 307.372 -1.726 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001422331413 926835281 /nfs/dbraw/zinc/83/52/81/926835281.db2.gz MRMANJYFWIJVPG-DTWKUNHWSA-N 1 1 307.372 -1.726 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C2(F)CCOCC2)n1 ZINC001422334501 926835472 /nfs/dbraw/zinc/83/54/72/926835472.db2.gz XWUOELOXQYEPQK-LLVKDONJSA-N 1 1 315.349 -1.100 20 0 DAADMO Cc1ncc(CC(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)o1 ZINC001422331219 926836201 /nfs/dbraw/zinc/83/62/01/926836201.db2.gz VNGIELSXCCOCDX-PSASIEDQSA-N 1 1 323.357 -1.123 20 0 DAADMO C[C@@H]([NH2+]Cc1cnon1)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001422336117 926837096 /nfs/dbraw/zinc/83/70/96/926837096.db2.gz ANRPIJWXBGNSST-BDAKNGLRSA-N 1 1 319.387 -1.008 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)Cn2ncn(C)c2=O)co1 ZINC001422339416 926837714 /nfs/dbraw/zinc/83/77/14/926837714.db2.gz FHSQWUUBPOLKIP-LLVKDONJSA-N 1 1 324.341 -1.855 20 0 DAADMO COc1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nc1 ZINC001422342088 926839388 /nfs/dbraw/zinc/83/93/88/926839388.db2.gz JAESQULOPAABSR-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001422344286 926840123 /nfs/dbraw/zinc/84/01/23/926840123.db2.gz GAOWZPKUYVMJSU-CHWSQXEVSA-N 1 1 312.414 -1.327 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)nn1 ZINC001422343343 926840316 /nfs/dbraw/zinc/84/03/16/926840316.db2.gz KLQWBXXZUAAFPC-VHSXEESVSA-N 1 1 311.346 -2.454 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001422344303 926841152 /nfs/dbraw/zinc/84/11/52/926841152.db2.gz GAOWZPKUYVMJSU-QWHCGFSZSA-N 1 1 312.414 -1.327 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nn1 ZINC001422343346 926842915 /nfs/dbraw/zinc/84/29/15/926842915.db2.gz KLQWBXXZUAAFPC-ZJUUUORDSA-N 1 1 311.346 -2.454 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)ccc2=O)n1 ZINC001422352681 926845663 /nfs/dbraw/zinc/84/56/63/926845663.db2.gz UUJJNVVSVSAVNJ-NSHDSACASA-N 1 1 320.353 -1.606 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001422349546 926845971 /nfs/dbraw/zinc/84/59/71/926845971.db2.gz KVZKAPJVGLTCFH-SNVBAGLBSA-N 1 1 322.373 -1.005 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC001422379104 926854866 /nfs/dbraw/zinc/85/48/66/926854866.db2.gz XSMJGFORXYMUNL-JQWIXIFHSA-N 1 1 324.385 -1.467 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)c2cnn(C)n2)nc1 ZINC001422379894 926856343 /nfs/dbraw/zinc/85/63/43/926856343.db2.gz YILXIZZGXAXYFU-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CC1CCN(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001422376549 926856933 /nfs/dbraw/zinc/85/69/33/926856933.db2.gz FSMVIFQSJMOACR-ZDUSSCGKSA-N 1 1 314.430 -1.127 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)CCn2cnnn2)nc1 ZINC001422381242 926859061 /nfs/dbraw/zinc/85/90/61/926859061.db2.gz MJZOGCFFIQSVPO-LLVKDONJSA-N 1 1 320.357 -1.571 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1cnon1 ZINC001422382659 926859925 /nfs/dbraw/zinc/85/99/25/926859925.db2.gz ONBXEAGWGYIFLV-QMMMGPOBSA-N 1 1 313.293 -1.489 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001422403167 926862101 /nfs/dbraw/zinc/86/21/01/926862101.db2.gz LGWUZLBXZCYPIZ-AAEUAGOBSA-N 1 1 312.414 -1.184 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001422403179 926864016 /nfs/dbraw/zinc/86/40/16/926864016.db2.gz LGWUZLBXZCYPIZ-DGCLKSJQSA-N 1 1 312.414 -1.184 20 0 DAADMO Cn1cnnc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422406141 926864972 /nfs/dbraw/zinc/86/49/72/926864972.db2.gz XECVDLYDJJZTIN-RYUDHWBXSA-N 1 1 310.402 -1.276 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1nocc1C ZINC001422405933 926866507 /nfs/dbraw/zinc/86/65/07/926866507.db2.gz GBUJUKBDMWQKCH-VIFPVBQESA-N 1 1 320.371 -1.901 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1)c1nncn1C ZINC001422403435 926866767 /nfs/dbraw/zinc/86/67/67/926866767.db2.gz KJBXWZYGFASBQL-GHMZBOCLSA-N 1 1 307.358 -1.161 20 0 DAADMO Cn1cc(CCC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)nn1 ZINC001422410085 926867066 /nfs/dbraw/zinc/86/70/66/926867066.db2.gz YDUCOTUZMRNGPM-GFCCVEGCSA-N 1 1 322.373 -1.857 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001422418652 926870014 /nfs/dbraw/zinc/87/00/14/926870014.db2.gz WPZSBUHDDJMPPY-VIFPVBQESA-N 1 1 306.344 -2.210 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001422432340 926872091 /nfs/dbraw/zinc/87/20/91/926872091.db2.gz KFFUFYVUYSGMQG-JGVFFNPUSA-N 1 1 305.360 -1.398 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001422427720 926873508 /nfs/dbraw/zinc/87/35/08/926873508.db2.gz ICPNSZHKMRBIPF-BDAKNGLRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)[N@H+](C)CC(=O)NC(N)=O ZINC001422487140 926875008 /nfs/dbraw/zinc/87/50/08/926875008.db2.gz NGKCNHDWYRQIOJ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)CC(=O)NC(N)=O ZINC001422487140 926875019 /nfs/dbraw/zinc/87/50/19/926875019.db2.gz NGKCNHDWYRQIOJ-VIFPVBQESA-N 1 1 310.358 -1.406 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422486999 926875076 /nfs/dbraw/zinc/87/50/76/926875076.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422486999 926875086 /nfs/dbraw/zinc/87/50/86/926875086.db2.gz MCYZQIXTJMEMJV-NEPJUHHUSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CCNS(C)(=O)=O ZINC001422488221 926875327 /nfs/dbraw/zinc/87/53/27/926875327.db2.gz CQDWJYWIQDBBEC-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N(C)CC1CC1 ZINC001422485132 926877377 /nfs/dbraw/zinc/87/73/77/926877377.db2.gz WDZVOIAJEOFOLL-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N(C)CC1CC1 ZINC001422485132 926877388 /nfs/dbraw/zinc/87/73/88/926877388.db2.gz WDZVOIAJEOFOLL-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@H+](C)CC(=O)N(C)C ZINC001422487000 926877762 /nfs/dbraw/zinc/87/77/62/926877762.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[N@@H+](C)CC(=O)N(C)C ZINC001422487000 926877776 /nfs/dbraw/zinc/87/77/76/926877776.db2.gz MCYZQIXTJMEMJV-NWDGAFQWSA-N 1 1 300.403 -1.158 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](O)C(C)C ZINC001422499636 926879789 /nfs/dbraw/zinc/87/97/89/926879789.db2.gz CIDDYPOVKOMHIM-GXSJLCMTSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](O)C(C)C ZINC001422499636 926879797 /nfs/dbraw/zinc/87/97/97/926879797.db2.gz CIDDYPOVKOMHIM-GXSJLCMTSA-N 1 1 302.375 -1.105 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001422500081 926880722 /nfs/dbraw/zinc/88/07/22/926880722.db2.gz POJJVWMTBHBZCC-SECBINFHSA-N 1 1 310.358 -1.108 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCN1CCNC1=O ZINC001422506917 926880902 /nfs/dbraw/zinc/88/09/02/926880902.db2.gz QJDZVVYYUGKRPL-JTQLQIEISA-N 1 1 309.374 -1.110 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@H+](C)CC(=O)N1CCC1 ZINC001422510838 926881078 /nfs/dbraw/zinc/88/10/78/926881078.db2.gz YTQFUKGQBIYFJO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001422510838 926881089 /nfs/dbraw/zinc/88/10/89/926881089.db2.gz YTQFUKGQBIYFJO-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001422519583 926881547 /nfs/dbraw/zinc/88/15/47/926881547.db2.gz KABAHFVBEXSJJM-MRVPVSSYSA-N 1 1 322.325 -1.065 20 0 DAADMO CCCCn1nnnc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422547028 926883234 /nfs/dbraw/zinc/88/32/34/926883234.db2.gz CYJHZELHEDZGSQ-ZJUUUORDSA-N 1 1 324.389 -1.251 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[N@H+](C)CC(N)=O ZINC001422526750 926884974 /nfs/dbraw/zinc/88/49/74/926884974.db2.gz XMKCGECEPNUFRU-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[N@@H+](C)CC(N)=O ZINC001422526750 926884980 /nfs/dbraw/zinc/88/49/80/926884980.db2.gz XMKCGECEPNUFRU-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO COc1cnc(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)nc1 ZINC001422531857 926885087 /nfs/dbraw/zinc/88/50/87/926885087.db2.gz VKLBSPZTXIQUPH-MRVPVSSYSA-N 1 1 306.330 -1.083 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)c1cccn(C)c1=O ZINC001422588891 926886745 /nfs/dbraw/zinc/88/67/45/926886745.db2.gz HUIDHCYQBXWYBB-SECBINFHSA-N 1 1 305.342 -1.183 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C1CC1 ZINC001422572803 926889075 /nfs/dbraw/zinc/88/90/75/926889075.db2.gz UTHCAPWLGNUVTB-SECBINFHSA-N 1 1 324.389 -1.079 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001422601831 926891974 /nfs/dbraw/zinc/89/19/74/926891974.db2.gz HTYGSYPZEMEFSX-DTWKUNHWSA-N 1 1 312.374 -1.799 20 0 DAADMO Cc1nn(CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O)c(=O)n1C ZINC001422601831 926891982 /nfs/dbraw/zinc/89/19/82/926891982.db2.gz HTYGSYPZEMEFSX-DTWKUNHWSA-N 1 1 312.374 -1.799 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001422607721 926894079 /nfs/dbraw/zinc/89/40/79/926894079.db2.gz IGEQXISQJFJVBK-DTWKUNHWSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001422620562 926894420 /nfs/dbraw/zinc/89/44/20/926894420.db2.gz ICQXVLNZGMOTJM-QWRGUYRKSA-N 1 1 316.402 -1.243 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001422617892 926894766 /nfs/dbraw/zinc/89/47/66/926894766.db2.gz VVIDONGTRXWLSQ-NXEZZACHSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001422632352 926897029 /nfs/dbraw/zinc/89/70/29/926897029.db2.gz GTZLCLUNRFMRQT-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CCO)C[NH+](C[C@@H]2CCOC2)C1 ZINC001422636381 926897306 /nfs/dbraw/zinc/89/73/06/926897306.db2.gz WEZOGJMGIBCUQV-TUAOUCFPSA-N 1 1 311.382 -1.303 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2(CCO)CN([C@@H]3CCNC3=O)C2)C1 ZINC001422632363 926898989 /nfs/dbraw/zinc/89/89/89/926898989.db2.gz GTZLCLUNRFMRQT-QWHCGFSZSA-N 1 1 324.425 -1.230 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001422640056 926900204 /nfs/dbraw/zinc/90/02/04/926900204.db2.gz GUXUAIXGUVSVFI-UHFFFAOYSA-N 1 1 322.431 -1.655 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001422640946 926900249 /nfs/dbraw/zinc/90/02/49/926900249.db2.gz FGLGHACCLAGKKF-JTQLQIEISA-N 1 1 319.427 -1.113 20 0 DAADMO CC(C)[NH+]1CC(CCO)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001422644351 926901322 /nfs/dbraw/zinc/90/13/22/926901322.db2.gz WBGZAKNJYLYMGK-UHFFFAOYSA-N 1 1 324.381 -1.341 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422649639 926902359 /nfs/dbraw/zinc/90/23/59/926902359.db2.gz ZMBZRXQZJAPCKA-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)[C@H](C)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422649635 926903597 /nfs/dbraw/zinc/90/35/97/926903597.db2.gz ZMBZRXQZJAPCKA-NWDGAFQWSA-N 1 1 312.414 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422649633 926904134 /nfs/dbraw/zinc/90/41/34/926904134.db2.gz ZMBZRXQZJAPCKA-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CCO)CN(CC(=O)NC3CC3)C2)C1 ZINC001422656712 926906381 /nfs/dbraw/zinc/90/63/81/926906381.db2.gz PKIWCLIDSJCICB-LBPRGKRZSA-N 1 1 324.425 -1.230 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)nn1 ZINC001422708823 926908457 /nfs/dbraw/zinc/90/84/57/926908457.db2.gz WCMMYZUYHNPUBF-GXSJLCMTSA-N 1 1 309.374 -1.084 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001422702898 926909028 /nfs/dbraw/zinc/90/90/28/926909028.db2.gz HFMBXOVGSWQVAT-JGVFFNPUSA-N 1 1 319.391 -2.258 20 0 DAADMO Cc1nnc(CC(=O)N[C@H](C)C2C[NH+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001422725569 926909130 /nfs/dbraw/zinc/90/91/30/926909130.db2.gz IFBDLEBKRJCRQH-KCJUWKMLSA-N 1 1 306.370 -1.019 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)[nH]1 ZINC001422725562 926909302 /nfs/dbraw/zinc/90/93/02/926909302.db2.gz IFBDLEBKRJCRQH-GZMMTYOYSA-N 1 1 306.370 -1.019 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001422738045 926910377 /nfs/dbraw/zinc/91/03/77/926910377.db2.gz TXAUJXKBDJGESF-IUCAKERBSA-N 1 1 320.415 -1.764 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001422739549 926911593 /nfs/dbraw/zinc/91/15/93/926911593.db2.gz OQVWBVOVRUVRLN-GXSJLCMTSA-N 1 1 324.385 -1.718 20 0 DAADMO C[C@H](NC(=O)Cc1ncc[nH]1)C1C[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001422745013 926913949 /nfs/dbraw/zinc/91/39/49/926913949.db2.gz GZAKPPLSYXKZKF-IUCAKERBSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CC(=O)NC(N)=O)C1 ZINC001422751353 926914916 /nfs/dbraw/zinc/91/49/16/926914916.db2.gz IMBHPSOZSACEGD-VHSXEESVSA-N 1 1 311.386 -1.431 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3N)[C@@H]2C1 ZINC001422797124 926916413 /nfs/dbraw/zinc/91/64/13/926916413.db2.gz ACYOLEGJEKOMGC-KKOKHZNYSA-N 1 1 321.381 -1.026 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)CC1(C)C ZINC001422794913 926916901 /nfs/dbraw/zinc/91/69/01/926916901.db2.gz YSDYVMVNUAHUIX-SNVBAGLBSA-N 1 1 322.431 -1.487 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001422808344 926917093 /nfs/dbraw/zinc/91/70/93/926917093.db2.gz VYFLTYCMZYFJQS-XYYAHUGASA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001422795979 926917550 /nfs/dbraw/zinc/91/75/50/926917550.db2.gz LDEFEKWODHKSNX-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001422795979 926917558 /nfs/dbraw/zinc/91/75/58/926917558.db2.gz LDEFEKWODHKSNX-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001422779803 926918031 /nfs/dbraw/zinc/91/80/31/926918031.db2.gz XWBVWCYYHHCMHX-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001422779803 926918048 /nfs/dbraw/zinc/91/80/48/926918048.db2.gz XWBVWCYYHHCMHX-JTQLQIEISA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820173 926919536 /nfs/dbraw/zinc/91/95/36/926919536.db2.gz AQPAORIVQUCOCP-NXEZZACHSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001422820173 926919543 /nfs/dbraw/zinc/91/95/43/926919543.db2.gz AQPAORIVQUCOCP-NXEZZACHSA-N 1 1 312.374 -1.847 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001422819891 926919749 /nfs/dbraw/zinc/91/97/49/926919749.db2.gz MCMIVJGDWWZQSR-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001422819891 926919757 /nfs/dbraw/zinc/91/97/57/926919757.db2.gz MCMIVJGDWWZQSR-VIFPVBQESA-N 1 1 311.390 -1.108 20 0 DAADMO COc1cc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)on1 ZINC001422812217 926919778 /nfs/dbraw/zinc/91/97/78/926919778.db2.gz SDECLFRXWKZZOT-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1cc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)on1 ZINC001422812217 926919791 /nfs/dbraw/zinc/91/97/91/926919791.db2.gz SDECLFRXWKZZOT-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnco3)[C@@H]2C1 ZINC001422850131 926921576 /nfs/dbraw/zinc/92/15/76/926921576.db2.gz YAZAIVCMFYRNDR-PSVAKVPMSA-N 1 1 307.310 -1.223 20 0 DAADMO O=C(Cc1nc[nH]n1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001422853438 926921651 /nfs/dbraw/zinc/92/16/51/926921651.db2.gz SREOOWGOWCVZMG-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001422853438 926921664 /nfs/dbraw/zinc/92/16/64/926921664.db2.gz SREOOWGOWCVZMG-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO O=C(Cc1nnc[nH]1)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001422853438 926921680 /nfs/dbraw/zinc/92/16/80/926921680.db2.gz SREOOWGOWCVZMG-YFKTTZPYSA-N 1 1 318.381 -1.080 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001422839352 926922542 /nfs/dbraw/zinc/92/25/42/926922542.db2.gz XKQLDCQMTPONRG-QMMMGPOBSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001422839352 926922551 /nfs/dbraw/zinc/92/25/51/926922551.db2.gz XKQLDCQMTPONRG-QMMMGPOBSA-N 1 1 321.337 -1.052 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCNC(=O)C1 ZINC001422843531 926923105 /nfs/dbraw/zinc/92/31/05/926923105.db2.gz TWWKTVHNBRFKGB-YYHMBLRTSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870204 926924226 /nfs/dbraw/zinc/92/42/26/926924226.db2.gz FFHPCJYRERBJOU-OGBGREFGSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870204 926924239 /nfs/dbraw/zinc/92/42/39/926924239.db2.gz FFHPCJYRERBJOU-OGBGREFGSA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)C[C@H](O)Cn1cccn1)NC(=O)c1nnn(C)n1 ZINC001422862679 926924521 /nfs/dbraw/zinc/92/45/21/926924521.db2.gz BYMJZTXSZIYLRL-MNOVXSKESA-N 1 1 322.373 -1.482 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC001422866246 926924545 /nfs/dbraw/zinc/92/45/45/926924545.db2.gz WPOZVCQZLWVWAC-QWRGUYRKSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H](C[N@@H+](C)CCNC(=O)C1CC1)NC(=O)c1nnn(C)n1 ZINC001422864302 926924602 /nfs/dbraw/zinc/92/46/02/926924602.db2.gz DZTNCWDUDUVUSG-SECBINFHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870207 926924645 /nfs/dbraw/zinc/92/46/45/926924645.db2.gz FFHPCJYRERBJOU-XXFSISAASA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422870207 926924651 /nfs/dbraw/zinc/92/46/51/926924651.db2.gz FFHPCJYRERBJOU-XXFSISAASA-N 1 1 312.370 -1.101 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422868715 926925289 /nfs/dbraw/zinc/92/52/89/926925289.db2.gz OQJAVSOAFHIJCN-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422868715 926925297 /nfs/dbraw/zinc/92/52/97/926925297.db2.gz OQJAVSOAFHIJCN-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C[N@H+](C)C[C@H](C)O ZINC001422855085 926926138 /nfs/dbraw/zinc/92/61/38/926926138.db2.gz JZQROLXXMVUXMZ-ZJUUUORDSA-N 1 1 302.375 -1.944 20 0 DAADMO CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422868718 926926374 /nfs/dbraw/zinc/92/63/74/926926374.db2.gz ORTVTIOFXMDJMD-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001422921174 926927761 /nfs/dbraw/zinc/92/77/61/926927761.db2.gz ZEFRKMCTMABEOD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001422921174 926927773 /nfs/dbraw/zinc/92/77/73/926927773.db2.gz ZEFRKMCTMABEOD-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001422893104 926927798 /nfs/dbraw/zinc/92/77/98/926927798.db2.gz RCNMABZDNHOYMT-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001422893104 926927807 /nfs/dbraw/zinc/92/78/07/926927807.db2.gz RCNMABZDNHOYMT-NXEZZACHSA-N 1 1 309.374 -1.453 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876202 926928293 /nfs/dbraw/zinc/92/82/93/926928293.db2.gz JLVOIOLRIQGSTO-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001422876202 926928299 /nfs/dbraw/zinc/92/82/99/926928299.db2.gz JLVOIOLRIQGSTO-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC(N)=O)nn1 ZINC001422897426 926929106 /nfs/dbraw/zinc/92/91/06/926929106.db2.gz NRDCVAXNAKENAE-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nn1 ZINC001422897426 926929125 /nfs/dbraw/zinc/92/91/25/926929125.db2.gz NRDCVAXNAKENAE-QMMMGPOBSA-N 1 1 311.346 -1.457 20 0 DAADMO NC(=O)Cn1cc(C[NH2+]C[C@@]23COCCN2C(=O)COC3)nn1 ZINC001422912751 926929543 /nfs/dbraw/zinc/92/95/43/926929543.db2.gz YBPFEVXHQYBLHY-ZDUSSCGKSA-N 1 1 324.341 -2.519 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001422877400 926929606 /nfs/dbraw/zinc/92/96/06/926929606.db2.gz SLDMXRATQXWSMC-UHFFFAOYSA-N 1 1 305.400 -1.548 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422876462 926929695 /nfs/dbraw/zinc/92/96/95/926929695.db2.gz DCDYRUGVJXVKSZ-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001422876462 926929700 /nfs/dbraw/zinc/92/97/00/926929700.db2.gz DCDYRUGVJXVKSZ-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001422924179 926930791 /nfs/dbraw/zinc/93/07/91/926930791.db2.gz FHLFANNOAWEEIA-QWRGUYRKSA-N 1 1 314.386 -1.219 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001422931500 926931509 /nfs/dbraw/zinc/93/15/09/926931509.db2.gz YNPJASHRRUPZBS-SECBINFHSA-N 1 1 312.374 -1.927 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001422931500 926931521 /nfs/dbraw/zinc/93/15/21/926931521.db2.gz YNPJASHRRUPZBS-SECBINFHSA-N 1 1 312.374 -1.927 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932398 926931743 /nfs/dbraw/zinc/93/17/43/926931743.db2.gz ISLDANSKKNPKBY-JGVFFNPUSA-N 1 1 311.342 -1.590 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001422932398 926931751 /nfs/dbraw/zinc/93/17/51/926931751.db2.gz ISLDANSKKNPKBY-JGVFFNPUSA-N 1 1 311.342 -1.590 20 0 DAADMO CNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001422936268 926931774 /nfs/dbraw/zinc/93/17/74/926931774.db2.gz UWNFLZLOGNGXMQ-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1ccnc1 ZINC001422955602 926934447 /nfs/dbraw/zinc/93/44/47/926934447.db2.gz UBCJHWDHIKKMQE-VHSXEESVSA-N 1 1 310.358 -1.097 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1ccnc1 ZINC001422955602 926934457 /nfs/dbraw/zinc/93/44/57/926934457.db2.gz UBCJHWDHIKKMQE-VHSXEESVSA-N 1 1 310.358 -1.097 20 0 DAADMO Cc1c(C(=O)N[C@H](C[NH2+]Cc2nnnn2C)C2CC2)nnn1C ZINC001422995390 926935217 /nfs/dbraw/zinc/93/52/17/926935217.db2.gz VDBDPCAMUBQOIP-SNVBAGLBSA-N 1 1 319.373 -1.055 20 0 DAADMO Cc1c(C(=O)N[C@@H](C[NH2+]Cc2nnnn2C)C2CC2)nnn1C ZINC001422995380 926935500 /nfs/dbraw/zinc/93/55/00/926935500.db2.gz VDBDPCAMUBQOIP-JTQLQIEISA-N 1 1 319.373 -1.055 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C2CC2)nn1 ZINC001423018579 926935823 /nfs/dbraw/zinc/93/58/23/926935823.db2.gz CPUUAWCASKRNSP-QWRGUYRKSA-N 1 1 307.358 -1.519 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001423008612 926935905 /nfs/dbraw/zinc/93/59/05/926935905.db2.gz UTASWDMPVBNSID-VIFPVBQESA-N 1 1 310.362 -1.877 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001422997418 926936585 /nfs/dbraw/zinc/93/65/85/926936585.db2.gz XSLHLORWOYFOKR-NXEZZACHSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C2CC2)nn1 ZINC001423018564 926936712 /nfs/dbraw/zinc/93/67/12/926936712.db2.gz CPUUAWCASKRNSP-GHMZBOCLSA-N 1 1 307.358 -1.519 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423060897 926938396 /nfs/dbraw/zinc/93/83/96/926938396.db2.gz JOWUECSMDGDZFU-JTQLQIEISA-N 1 1 313.358 -1.442 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423060897 926938412 /nfs/dbraw/zinc/93/84/12/926938412.db2.gz JOWUECSMDGDZFU-JTQLQIEISA-N 1 1 313.358 -1.442 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423060898 926942033 /nfs/dbraw/zinc/94/20/33/926942033.db2.gz JOWUECSMDGDZFU-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423060898 926942046 /nfs/dbraw/zinc/94/20/46/926942046.db2.gz JOWUECSMDGDZFU-SNVBAGLBSA-N 1 1 313.358 -1.442 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)[NH2+]Cc1cnon1 ZINC001423072893 926943739 /nfs/dbraw/zinc/94/37/39/926943739.db2.gz CJWPTJXUNOAMBP-NSHDSACASA-N 1 1 324.385 -1.220 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001423080973 926943785 /nfs/dbraw/zinc/94/37/85/926943785.db2.gz WIKQLYJIDBKKKA-VHSXEESVSA-N 1 1 312.374 -1.741 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001423080973 926943793 /nfs/dbraw/zinc/94/37/93/926943793.db2.gz WIKQLYJIDBKKKA-VHSXEESVSA-N 1 1 312.374 -1.741 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089271 926945585 /nfs/dbraw/zinc/94/55/85/926945585.db2.gz ROEDZZKNIQPXIO-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2CC(=O)NC(N)=O)C1 ZINC001423089271 926945596 /nfs/dbraw/zinc/94/55/96/926945596.db2.gz ROEDZZKNIQPXIO-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2CC[N@H+]2C[C@@H]2CCOC2)c1=O ZINC001423106658 926948980 /nfs/dbraw/zinc/94/89/80/926948980.db2.gz HYHGYSHTPXECPH-NWDGAFQWSA-N 1 1 309.370 -1.191 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CCN1[C@@H]1CCNC1=O ZINC001423130647 926951408 /nfs/dbraw/zinc/95/14/08/926951408.db2.gz IIEPDOFUOFLKDQ-CHWSQXEVSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@H]1CCN1[C@H]1CCNC1=O ZINC001423130650 926951845 /nfs/dbraw/zinc/95/18/45/926951845.db2.gz IIEPDOFUOFLKDQ-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCN1[C@H]1CCNC1=O ZINC001423130663 926953121 /nfs/dbraw/zinc/95/31/21/926953121.db2.gz IIEPDOFUOFLKDQ-STQMWFEESA-N 1 1 310.398 -1.212 20 0 DAADMO C[C@H](NC(=O)C[NH2+][C@H](CO)CNC(=O)C(F)F)C(=O)N(C)C ZINC001423179483 926954407 /nfs/dbraw/zinc/95/44/07/926954407.db2.gz PMSDLOMHSDGPDC-YUMQZZPRSA-N 1 1 324.328 -2.089 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423170667 926955132 /nfs/dbraw/zinc/95/51/32/926955132.db2.gz HXPSNQQJDQMWBB-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001423177475 926955646 /nfs/dbraw/zinc/95/56/46/926955646.db2.gz BKAWIUXISRTAEQ-UWVGGRQHSA-N 1 1 311.342 -1.483 20 0 DAADMO COc1cccc(C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O)n1 ZINC001423175324 926955780 /nfs/dbraw/zinc/95/57/80/926955780.db2.gz FKQGNOBLADFCBQ-GFCCVEGCSA-N 1 1 310.354 -1.207 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423170676 926956010 /nfs/dbraw/zinc/95/60/10/926956010.db2.gz HXPSNQQJDQMWBB-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001423177470 926956300 /nfs/dbraw/zinc/95/63/00/926956300.db2.gz BKAWIUXISRTAEQ-NXEZZACHSA-N 1 1 311.342 -1.483 20 0 DAADMO COCC(=O)NC[C@@H](CO)[NH2+]CC(=O)Nc1cc(C)nn1C ZINC001423180336 926957150 /nfs/dbraw/zinc/95/71/50/926957150.db2.gz FFWBHBOIXRMFBL-JTQLQIEISA-N 1 1 313.358 -1.620 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1cncn1)[NH2+][C@@H](C)c1nnnn1C ZINC001423181451 926957295 /nfs/dbraw/zinc/95/72/95/926957295.db2.gz ZHKDSLKGICMDQA-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001423193709 926962145 /nfs/dbraw/zinc/96/21/45/926962145.db2.gz KZYGDLNMTSVYSN-LLVKDONJSA-N 1 1 321.341 -1.656 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001423200146 926963437 /nfs/dbraw/zinc/96/34/37/926963437.db2.gz NFGVHEOXINOSSO-AAEUAGOBSA-N 1 1 310.354 -1.233 20 0 DAADMO Cc1noc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001423199964 926963761 /nfs/dbraw/zinc/96/37/61/926963761.db2.gz ZAEDVZVHJLUBPH-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001423199964 926963775 /nfs/dbraw/zinc/96/37/75/926963775.db2.gz ZAEDVZVHJLUBPH-MNOVXSKESA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001423200149 926963958 /nfs/dbraw/zinc/96/39/58/926963958.db2.gz NFGVHEOXINOSSO-YPMHNXCESA-N 1 1 310.354 -1.233 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001423197180 926964164 /nfs/dbraw/zinc/96/41/64/926964164.db2.gz AQSIBQZTWONJDC-MRVPVSSYSA-N 1 1 305.360 -2.574 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001423199500 926964806 /nfs/dbraw/zinc/96/48/06/926964806.db2.gz XJGHPHPFMQATLI-NEPJUHHUSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1cnc(CN[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001423199500 926964819 /nfs/dbraw/zinc/96/48/19/926964819.db2.gz XJGHPHPFMQATLI-NEPJUHHUSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1noc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001423199967 926965171 /nfs/dbraw/zinc/96/51/71/926965171.db2.gz ZAEDVZVHJLUBPH-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1noc(CN[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001423199967 926965183 /nfs/dbraw/zinc/96/51/83/926965183.db2.gz ZAEDVZVHJLUBPH-QWRGUYRKSA-N 1 1 313.358 -1.725 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001423206904 926969900 /nfs/dbraw/zinc/96/99/00/926969900.db2.gz LVDCCYAXEUOXDW-JGVFFNPUSA-N 1 1 315.355 -1.478 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001423206889 926970915 /nfs/dbraw/zinc/97/09/15/926970915.db2.gz LVDCCYAXEUOXDW-HTQZYQBOSA-N 1 1 315.355 -1.478 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001423206915 926971016 /nfs/dbraw/zinc/97/10/16/926971016.db2.gz LVDCCYAXEUOXDW-YUMQZZPRSA-N 1 1 315.355 -1.478 20 0 DAADMO CCn1nnc(C)c1C[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001423208531 926971151 /nfs/dbraw/zinc/97/11/51/926971151.db2.gz NJOPYEADTUOZBZ-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[C@H]1C[NH+]2CCC1CC2 ZINC001423214877 926974364 /nfs/dbraw/zinc/97/43/64/926974364.db2.gz GABAIDKTJRBVQE-QWRGUYRKSA-N 1 1 324.385 -1.581 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423218845 926975429 /nfs/dbraw/zinc/97/54/29/926975429.db2.gz ZMINZGUNCFDLBY-LLVKDONJSA-N 1 1 307.358 -1.088 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423218851 926975493 /nfs/dbraw/zinc/97/54/93/926975493.db2.gz ZMINZGUNCFDLBY-NSHDSACASA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)cc1=O ZINC001423217574 926975751 /nfs/dbraw/zinc/97/57/51/926975751.db2.gz IJQMKVQQZJQUAT-MRVPVSSYSA-N 1 1 324.366 -1.488 20 0 DAADMO CCn1ncc(C(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)n1 ZINC001423218262 926976856 /nfs/dbraw/zinc/97/68/56/926976856.db2.gz YZRHGIHDEINBJO-UHFFFAOYSA-N 1 1 320.357 -1.228 20 0 DAADMO Cc1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)ncn1 ZINC001423220218 926978179 /nfs/dbraw/zinc/97/81/79/926978179.db2.gz PIXGXPDRRBLTNF-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO O=C(C[NH2+][C@H](CO)CNC(=O)c1ncccc1O)NCC1CC1 ZINC001423233122 926990003 /nfs/dbraw/zinc/99/00/03/926990003.db2.gz OXZPYOMGSKKZET-NSHDSACASA-N 1 1 322.365 -1.006 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001423233128 926990210 /nfs/dbraw/zinc/99/02/10/926990210.db2.gz JQFONLNQZWPXOZ-GHMZBOCLSA-N 1 1 324.385 -1.657 20 0 DAADMO Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CCNC2=O)n1 ZINC001423244842 926996518 /nfs/dbraw/zinc/99/65/18/926996518.db2.gz YLZFMVLQTMJTDL-ZYHUDNBSSA-N 1 1 309.370 -1.487 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+]Cc1snnc1C ZINC001423246715 926997045 /nfs/dbraw/zinc/99/70/45/926997045.db2.gz YMIXWSBTXDMIAK-QMMMGPOBSA-N 1 1 316.387 -1.658 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001423254983 926998076 /nfs/dbraw/zinc/99/80/76/926998076.db2.gz GWWOJNJXBSWNQN-UWVGGRQHSA-N 1 1 324.341 -2.267 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001423254981 926999214 /nfs/dbraw/zinc/99/92/14/926999214.db2.gz GWWOJNJXBSWNQN-NXEZZACHSA-N 1 1 324.341 -2.267 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H](CO)NCC(=O)N1CCOCC1 ZINC001423258702 927002528 /nfs/dbraw/zinc/00/25/28/927002528.db2.gz MHERFIMXSYGEBG-GFCCVEGCSA-N 1 1 316.402 -2.136 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2c[nH]c(=O)cn2)cn1 ZINC001423258827 927002557 /nfs/dbraw/zinc/00/25/57/927002557.db2.gz QJEPOFRPTBVDLO-NSHDSACASA-N 1 1 318.337 -1.251 20 0 DAADMO CCn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CNC(=O)N3)CC2)nn1 ZINC001423260302 927002753 /nfs/dbraw/zinc/00/27/53/927002753.db2.gz PRCNYOUWTRSOCM-JTQLQIEISA-N 1 1 307.358 -1.282 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001423264430 927006500 /nfs/dbraw/zinc/00/65/00/927006500.db2.gz BCGCQGPALCMZMR-QWHCGFSZSA-N 1 1 311.386 -1.099 20 0 DAADMO CN1CC[C@@H](N[C@H](CO)CNC(=O)CCC[NH+](C)C)C1=O ZINC001423262095 927007288 /nfs/dbraw/zinc/00/72/88/927007288.db2.gz ZXHJNGGQGOMDSD-NWDGAFQWSA-N 1 1 300.403 -1.374 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001423264397 927007350 /nfs/dbraw/zinc/00/73/50/927007350.db2.gz TZDDLFJMNFHNRP-JQWIXIFHSA-N 1 1 324.385 -1.515 20 0 DAADMO CC[N@H+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001423282170 927012579 /nfs/dbraw/zinc/01/25/79/927012579.db2.gz JTPFLOXHJOMFAB-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001423282170 927012589 /nfs/dbraw/zinc/01/25/89/927012589.db2.gz JTPFLOXHJOMFAB-NWDGAFQWSA-N 1 1 300.403 -1.327 20 0 DAADMO CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC001423290391 927014299 /nfs/dbraw/zinc/01/42/99/927014299.db2.gz FFHJJTZZXIDQJD-RKDXNWHRSA-N 1 1 300.363 -1.583 20 0 DAADMO CCN1CC[C@@H](N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001423293935 927017227 /nfs/dbraw/zinc/01/72/27/927017227.db2.gz JRPJKQSBTXLKNU-CHWSQXEVSA-N 1 1 324.425 -1.230 20 0 DAADMO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301971 927021687 /nfs/dbraw/zinc/02/16/87/927021687.db2.gz UOKRHVVXEOWACS-DGCLKSJQSA-N 1 1 312.414 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCC(=O)NC2CC2)C1 ZINC001423301971 927021704 /nfs/dbraw/zinc/02/17/04/927021704.db2.gz UOKRHVVXEOWACS-DGCLKSJQSA-N 1 1 312.414 -1.327 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)N[C@H](C)c1nnnn1C ZINC001423302028 927023518 /nfs/dbraw/zinc/02/35/18/927023518.db2.gz KNFOSVJQQYITPZ-MWLCHTKSSA-N 1 1 322.373 -1.457 20 0 DAADMO Cn1ncc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001423305987 927025640 /nfs/dbraw/zinc/02/56/40/927025640.db2.gz ZEPRJGHMBHJJAI-WCQYABFASA-N 1 1 310.402 -1.276 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CCN2CCCC2=O)n1 ZINC001423308800 927026243 /nfs/dbraw/zinc/02/62/43/927026243.db2.gz ZHUHGKRLXFEURY-ZDUSSCGKSA-N 1 1 323.397 -1.001 20 0 DAADMO COc1ncccc1C[NH2+][C@H](CO)CNC(=O)Cn1cncn1 ZINC001423324606 927027485 /nfs/dbraw/zinc/02/74/85/927027485.db2.gz UNJDWIHKDUOTLZ-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO COc1ccnc(C[NH2+][C@H](CO)CNC(=O)Cn2cncn2)c1 ZINC001423317243 927029100 /nfs/dbraw/zinc/02/91/00/927029100.db2.gz PMKHDOBLVFDJHC-LBPRGKRZSA-N 1 1 320.353 -1.051 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ccn[nH]2)C1 ZINC001423349987 927032496 /nfs/dbraw/zinc/03/24/96/927032496.db2.gz YDJAEQQRGWMSRB-GXSJLCMTSA-N 1 1 322.369 -1.013 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001423362639 927033275 /nfs/dbraw/zinc/03/32/75/927033275.db2.gz NMAQXDNTDLGWQL-XHDPSFHLSA-N 1 1 323.397 -1.272 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001423366820 927036048 /nfs/dbraw/zinc/03/60/48/927036048.db2.gz UKEPFWOPZUYCRR-ZDUSSCGKSA-N 1 1 319.427 -1.158 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001423366817 927036136 /nfs/dbraw/zinc/03/61/36/927036136.db2.gz UKEPFWOPZUYCRR-CYBMUJFWSA-N 1 1 319.427 -1.158 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001423404218 927037713 /nfs/dbraw/zinc/03/77/13/927037713.db2.gz OPDGTGYHOZJFHW-SECBINFHSA-N 1 1 324.389 -1.405 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CCn1cncn1 ZINC001423415307 927040613 /nfs/dbraw/zinc/04/06/13/927040613.db2.gz HULDFJZQPUWQFA-GFCCVEGCSA-N 1 1 322.373 -1.594 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cnns1 ZINC001423427400 927045808 /nfs/dbraw/zinc/04/58/08/927045808.db2.gz HTZHGGQYVULRNQ-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccn[nH]1)C(=O)N(C)C ZINC001423428020 927046604 /nfs/dbraw/zinc/04/66/04/927046604.db2.gz AVINBMGVURHDHG-ZYHUDNBSSA-N 1 1 311.386 -1.162 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cn(C)nn2)c1 ZINC001423428018 927046696 /nfs/dbraw/zinc/04/66/96/927046696.db2.gz LZOXMIQQZDWBJM-ZDUSSCGKSA-N 1 1 321.385 -1.071 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2COC(=O)N2)[nH]1 ZINC001423434198 927047426 /nfs/dbraw/zinc/04/74/26/927047426.db2.gz DNCOQIXANPHRSS-IUCAKERBSA-N 1 1 312.330 -1.870 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001423432719 927047984 /nfs/dbraw/zinc/04/79/84/927047984.db2.gz SCULNAQNNVGRBW-GHMZBOCLSA-N 1 1 324.385 -1.750 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001423437360 927053065 /nfs/dbraw/zinc/05/30/65/927053065.db2.gz AAOFDSOOAKAXBF-WPRPVWTQSA-N 1 1 313.362 -2.219 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cn[nH]c(=O)c2)[nH]1 ZINC001423447942 927054041 /nfs/dbraw/zinc/05/40/41/927054041.db2.gz UONWWPGQIWYFJK-SNVBAGLBSA-N 1 1 321.341 -1.169 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001423447462 927056590 /nfs/dbraw/zinc/05/65/90/927056590.db2.gz YAWSYDGCFRETQX-SNVBAGLBSA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423444942 927056650 /nfs/dbraw/zinc/05/66/50/927056650.db2.gz KNORGBQRXGXRGX-GHMZBOCLSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CCn1ccnn1 ZINC001423453348 927059173 /nfs/dbraw/zinc/05/91/73/927059173.db2.gz YWQUXTONZMRTHE-NSHDSACASA-N 1 1 322.373 -1.594 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)o1 ZINC001423458910 927063501 /nfs/dbraw/zinc/06/35/01/927063501.db2.gz MMZDXQSCGBYTEH-SECBINFHSA-N 1 1 309.330 -1.271 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CCNC(N)=O)n1 ZINC001423479824 927070238 /nfs/dbraw/zinc/07/02/38/927070238.db2.gz ADHZJCXEQXZYLT-LLVKDONJSA-N 1 1 324.385 -1.248 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)CCNC(N)=O ZINC001423487784 927073401 /nfs/dbraw/zinc/07/34/01/927073401.db2.gz VFEPLVPOSJOSMU-JTQLQIEISA-N 1 1 310.358 -1.556 20 0 DAADMO CN(C[C@@H](O)CNCc1cnn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423483040 927073941 /nfs/dbraw/zinc/07/39/41/927073941.db2.gz IWDYVAOACGVERZ-AAEUAGOBSA-N 1 1 310.402 -1.324 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001423489248 927074599 /nfs/dbraw/zinc/07/45/99/927074599.db2.gz JADGJXUNWNNXHK-SECBINFHSA-N 1 1 304.347 -2.161 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001423489248 927074617 /nfs/dbraw/zinc/07/46/17/927074617.db2.gz JADGJXUNWNNXHK-SECBINFHSA-N 1 1 304.347 -2.161 20 0 DAADMO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)n1)c1nncn1C ZINC001423483945 927075169 /nfs/dbraw/zinc/07/51/69/927075169.db2.gz KKWKJWVZDVZTFP-ZJUUUORDSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001423500498 927077403 /nfs/dbraw/zinc/07/74/03/927077403.db2.gz AJWPLYTXMHKXEI-SMDDNHRTSA-N 1 1 301.387 -1.226 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001423500498 927077423 /nfs/dbraw/zinc/07/74/23/927077423.db2.gz AJWPLYTXMHKXEI-SMDDNHRTSA-N 1 1 301.387 -1.226 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001423497198 927078467 /nfs/dbraw/zinc/07/84/67/927078467.db2.gz AHBWWTDHAHUQPV-NXEZZACHSA-N 1 1 316.358 -2.018 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001423497198 927078482 /nfs/dbraw/zinc/07/84/82/927078482.db2.gz AHBWWTDHAHUQPV-NXEZZACHSA-N 1 1 316.358 -2.018 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CN1CCCC1=O ZINC001423496339 927078782 /nfs/dbraw/zinc/07/87/82/927078782.db2.gz OIPGHBJCXXEBNQ-GFCCVEGCSA-N 1 1 301.387 -1.258 20 0 DAADMO CN(C[C@H](O)CNCc1cn(C)nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423489770 927078984 /nfs/dbraw/zinc/07/89/84/927078984.db2.gz YHTPJOSAVPQGAP-WCQYABFASA-N 1 1 310.402 -1.324 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001423504881 927081095 /nfs/dbraw/zinc/08/10/95/927081095.db2.gz UPYLGKPCLNNDLV-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001423511840 927081498 /nfs/dbraw/zinc/08/14/98/927081498.db2.gz NIDXIXXIUDPNJD-NXEZZACHSA-N 1 1 318.399 -1.090 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001423501726 927081764 /nfs/dbraw/zinc/08/17/64/927081764.db2.gz DJTUICGUOSOCKP-OLZOCXBDSA-N 1 1 311.382 -1.027 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001423511522 927081949 /nfs/dbraw/zinc/08/19/49/927081949.db2.gz FHWPKIWNUONIQC-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001423511522 927081960 /nfs/dbraw/zinc/08/19/60/927081960.db2.gz FHWPKIWNUONIQC-SECBINFHSA-N 1 1 315.399 -1.009 20 0 DAADMO CCN1C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)CC1=O ZINC001423504771 927082007 /nfs/dbraw/zinc/08/20/07/927082007.db2.gz MZWOKPLAYYFOGZ-CHWSQXEVSA-N 1 1 315.414 -1.012 20 0 DAADMO COC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001423507652 927083206 /nfs/dbraw/zinc/08/32/06/927083206.db2.gz HORAMFIAJIWFNC-VHSXEESVSA-N 1 1 316.358 -2.018 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001423507158 927083571 /nfs/dbraw/zinc/08/35/71/927083571.db2.gz NHJLQRQFFDVIJV-LLVKDONJSA-N 1 1 302.375 -1.990 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001423507158 927083578 /nfs/dbraw/zinc/08/35/78/927083578.db2.gz NHJLQRQFFDVIJV-LLVKDONJSA-N 1 1 302.375 -1.990 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)C1 ZINC001423501749 927084239 /nfs/dbraw/zinc/08/42/39/927084239.db2.gz DLVOAGCKLDABOA-NSHDSACASA-N 1 1 300.359 -2.299 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)C1 ZINC001423501749 927084258 /nfs/dbraw/zinc/08/42/58/927084258.db2.gz DLVOAGCKLDABOA-NSHDSACASA-N 1 1 300.359 -2.299 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001423513064 927085837 /nfs/dbraw/zinc/08/58/37/927085837.db2.gz GMOAEZSUACIXCJ-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001423513064 927085854 /nfs/dbraw/zinc/08/58/54/927085854.db2.gz GMOAEZSUACIXCJ-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423520946 927087165 /nfs/dbraw/zinc/08/71/65/927087165.db2.gz UIUUIMZVCZLOJS-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423520946 927087180 /nfs/dbraw/zinc/08/71/80/927087180.db2.gz UIUUIMZVCZLOJS-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001423520348 927087210 /nfs/dbraw/zinc/08/72/10/927087210.db2.gz CPRMNXXBYMXCDR-LPEHRKFASA-N 1 1 316.358 -2.744 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001423520348 927087218 /nfs/dbraw/zinc/08/72/18/927087218.db2.gz CPRMNXXBYMXCDR-LPEHRKFASA-N 1 1 316.358 -2.744 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001423527202 927087770 /nfs/dbraw/zinc/08/77/70/927087770.db2.gz UFHXRMKQPPLUIJ-IUCAKERBSA-N 1 1 306.338 -1.320 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001423527202 927087783 /nfs/dbraw/zinc/08/77/83/927087783.db2.gz UFHXRMKQPPLUIJ-IUCAKERBSA-N 1 1 306.338 -1.320 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423520943 927088086 /nfs/dbraw/zinc/08/80/86/927088086.db2.gz UIUUIMZVCZLOJS-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001423520943 927088096 /nfs/dbraw/zinc/08/80/96/927088096.db2.gz UIUUIMZVCZLOJS-GHMZBOCLSA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001423520344 927088124 /nfs/dbraw/zinc/08/81/24/927088124.db2.gz CPRMNXXBYMXCDR-KXUCPTDWSA-N 1 1 316.358 -2.744 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001423520344 927088140 /nfs/dbraw/zinc/08/81/40/927088140.db2.gz CPRMNXXBYMXCDR-KXUCPTDWSA-N 1 1 316.358 -2.744 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423515028 927088406 /nfs/dbraw/zinc/08/84/06/927088406.db2.gz OQHOJYXDFPRZAD-UWVGGRQHSA-N 1 1 313.362 -2.312 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cncnc1 ZINC001423522398 927088558 /nfs/dbraw/zinc/08/85/58/927088558.db2.gz FJFXCKPTEYJWBZ-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cncnc1 ZINC001423522398 927088572 /nfs/dbraw/zinc/08/85/72/927088572.db2.gz FJFXCKPTEYJWBZ-LBPRGKRZSA-N 1 1 309.370 -1.354 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423517539 927088870 /nfs/dbraw/zinc/08/88/70/927088870.db2.gz VJAFPIDKWOVFCC-MNOVXSKESA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001423517539 927088882 /nfs/dbraw/zinc/08/88/82/927088882.db2.gz VJAFPIDKWOVFCC-MNOVXSKESA-N 1 1 300.359 -1.218 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn[nH]1 ZINC001423517539 927088896 /nfs/dbraw/zinc/08/88/96/927088896.db2.gz VJAFPIDKWOVFCC-MNOVXSKESA-N 1 1 300.359 -1.218 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cncn1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423528772 927090143 /nfs/dbraw/zinc/09/01/43/927090143.db2.gz YZDGAPQKICMEGY-TUAOUCFPSA-N 1 1 324.385 -1.849 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001423546195 927090665 /nfs/dbraw/zinc/09/06/65/927090665.db2.gz SASCMXMCPFSTJB-LLVKDONJSA-N 1 1 312.374 -2.016 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001423546195 927090678 /nfs/dbraw/zinc/09/06/78/927090678.db2.gz SASCMXMCPFSTJB-LLVKDONJSA-N 1 1 312.374 -2.016 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423538276 927091329 /nfs/dbraw/zinc/09/13/29/927091329.db2.gz DYEBYZWOPVZTJG-RKDXNWHRSA-N 1 1 301.347 -2.835 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423538276 927091343 /nfs/dbraw/zinc/09/13/43/927091343.db2.gz DYEBYZWOPVZTJG-RKDXNWHRSA-N 1 1 301.347 -2.835 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001423529370 927091375 /nfs/dbraw/zinc/09/13/75/927091375.db2.gz HORDUIIQBPTZSB-CMPLNLGQSA-N 1 1 324.385 -1.590 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001423542450 927091984 /nfs/dbraw/zinc/09/19/84/927091984.db2.gz KAQRNMYAJOUUSJ-VXGBXAGGSA-N 1 1 311.386 -1.231 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001423534906 927092091 /nfs/dbraw/zinc/09/20/91/927092091.db2.gz RUGFDKXFKHGYDY-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001423534906 927092105 /nfs/dbraw/zinc/09/21/05/927092105.db2.gz RUGFDKXFKHGYDY-FZMZJTMJSA-N 1 1 301.387 -1.090 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001423547230 927092658 /nfs/dbraw/zinc/09/26/58/927092658.db2.gz LDDSQQMIWHXZHB-LBPRGKRZSA-N 1 1 311.386 -1.311 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001423547200 927093199 /nfs/dbraw/zinc/09/31/99/927093199.db2.gz LAPDZZAJAPZUGJ-VIFPVBQESA-N 1 1 324.403 -2.967 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CS(=O)(=O)NC ZINC001423547200 927093212 /nfs/dbraw/zinc/09/32/12/927093212.db2.gz LAPDZZAJAPZUGJ-VIFPVBQESA-N 1 1 324.403 -2.967 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCN1CCCC1=O)C(=O)c1nc[nH]n1 ZINC001423536009 927094515 /nfs/dbraw/zinc/09/45/15/927094515.db2.gz UXLAEKNSVPPPSA-LLVKDONJSA-N 1 1 324.385 -1.208 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001423583991 927094954 /nfs/dbraw/zinc/09/49/54/927094954.db2.gz WCHXXAQDBKSUIB-AWEZNQCLSA-N 1 1 324.385 -1.342 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)COCc2nncn2C)C1 ZINC001423583991 927094975 /nfs/dbraw/zinc/09/49/75/927094975.db2.gz WCHXXAQDBKSUIB-AWEZNQCLSA-N 1 1 324.385 -1.342 20 0 DAADMO C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423561416 927095452 /nfs/dbraw/zinc/09/54/52/927095452.db2.gz IFZVRKSDYGTZRI-FZZIBODNSA-N 1 1 310.354 -1.202 20 0 DAADMO C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423561416 927095467 /nfs/dbraw/zinc/09/54/67/927095467.db2.gz IFZVRKSDYGTZRI-FZZIBODNSA-N 1 1 310.354 -1.202 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001423572633 927096155 /nfs/dbraw/zinc/09/61/55/927096155.db2.gz COWPKGBKFYSMMX-BXKDBHETSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001423572633 927096169 /nfs/dbraw/zinc/09/61/69/927096169.db2.gz COWPKGBKFYSMMX-BXKDBHETSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563506 927097167 /nfs/dbraw/zinc/09/71/67/927097167.db2.gz YPJPJNSWICSENT-RNCFNFMXSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563506 927097182 /nfs/dbraw/zinc/09/71/82/927097182.db2.gz YPJPJNSWICSENT-RNCFNFMXSA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563513 927097270 /nfs/dbraw/zinc/09/72/70/927097270.db2.gz YPJPJNSWICSENT-ZANVPECISA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1)n1cncn1 ZINC001423563513 927097282 /nfs/dbraw/zinc/09/72/82/927097282.db2.gz YPJPJNSWICSENT-ZANVPECISA-N 1 1 323.357 -1.385 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001423548850 927097896 /nfs/dbraw/zinc/09/78/96/927097896.db2.gz XZXUXONJKMYHEF-ZYHUDNBSSA-N 1 1 324.381 -1.074 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423553118 927098804 /nfs/dbraw/zinc/09/88/04/927098804.db2.gz YKHKOGQSZUZEIY-VHSXEESVSA-N 1 1 315.374 -2.493 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423553118 927098814 /nfs/dbraw/zinc/09/88/14/927098814.db2.gz YKHKOGQSZUZEIY-VHSXEESVSA-N 1 1 315.374 -2.493 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1COCCO1)[C@@H]1CCNC1=O ZINC001423633063 927099349 /nfs/dbraw/zinc/09/93/49/927099349.db2.gz KBTCBMORIJKQFG-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1COCCO1)[C@@H]1CCNC1=O ZINC001423633063 927099360 /nfs/dbraw/zinc/09/93/60/927099360.db2.gz KBTCBMORIJKQFG-NEPJUHHUSA-N 1 1 315.370 -1.645 20 0 DAADMO CNC(=O)CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOC ZINC001423625056 927099725 /nfs/dbraw/zinc/09/97/25/927099725.db2.gz GKYMZJCLFQJXQJ-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO CNC(=O)CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOC ZINC001423625056 927099740 /nfs/dbraw/zinc/09/97/40/927099740.db2.gz GKYMZJCLFQJXQJ-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO COCC[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@H]1CCNC1=O ZINC001423637749 927101557 /nfs/dbraw/zinc/10/15/57/927101557.db2.gz MZRAXWXCRZYQKJ-NSHDSACASA-N 1 1 323.353 -1.663 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)[C@H]1CCNC1=O ZINC001423637749 927101565 /nfs/dbraw/zinc/10/15/65/927101565.db2.gz MZRAXWXCRZYQKJ-NSHDSACASA-N 1 1 323.353 -1.663 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001423688779 927103636 /nfs/dbraw/zinc/10/36/36/927103636.db2.gz WEBSYNRJOGGEPV-GWCFXTLKSA-N 1 1 309.374 -1.235 20 0 DAADMO C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2nnnn2C)C1)NC(N)=O ZINC001423681058 927104504 /nfs/dbraw/zinc/10/45/04/927104504.db2.gz RZVUQTWHRYHKHG-IDKOKCKLSA-N 1 1 324.389 -1.264 20 0 DAADMO O=C(CCn1cccn1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001423737230 927106649 /nfs/dbraw/zinc/10/66/49/927106649.db2.gz BRILWGYVKGXUHK-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1cccn1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001423737230 927106661 /nfs/dbraw/zinc/10/66/61/927106661.db2.gz BRILWGYVKGXUHK-WFASDCNBSA-N 1 1 321.381 -1.285 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423737433 927107027 /nfs/dbraw/zinc/10/70/27/927107027.db2.gz FYCPVFPILPIMGW-NHYWBVRUSA-N 1 1 323.397 -1.018 20 0 DAADMO O=C(CCn1cccn1)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423737223 927107757 /nfs/dbraw/zinc/10/77/57/927107757.db2.gz BRILWGYVKGXUHK-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1cccn1)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423737223 927107767 /nfs/dbraw/zinc/10/77/67/927107767.db2.gz BRILWGYVKGXUHK-DOMZBBRYSA-N 1 1 321.381 -1.285 20 0 DAADMO CNC(=O)C[NH2+]C1(CNC(=O)Cc2nnc[nH]2)CCOCC1 ZINC001423717063 927107878 /nfs/dbraw/zinc/10/78/78/927107878.db2.gz JXKSWXIRFIIGBF-UHFFFAOYSA-N 1 1 310.358 -1.652 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423741883 927108807 /nfs/dbraw/zinc/10/88/07/927108807.db2.gz OUSQXYFQFVXAJC-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001423741883 927108813 /nfs/dbraw/zinc/10/88/13/927108813.db2.gz OUSQXYFQFVXAJC-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423753002 927110219 /nfs/dbraw/zinc/11/02/19/927110219.db2.gz CHBPYAYQOVRKRB-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423753002 927110230 /nfs/dbraw/zinc/11/02/30/927110230.db2.gz CHBPYAYQOVRKRB-TVQRCGJNSA-N 1 1 315.374 -2.268 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001423748222 927110582 /nfs/dbraw/zinc/11/05/82/927110582.db2.gz SHSBVJVTPGDGJR-FZMZJTMJSA-N 1 1 317.386 -1.927 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743743 927111219 /nfs/dbraw/zinc/11/12/19/927111219.db2.gz DKUVZZCQQJCLRA-JOYOIKCWSA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnsn2)C1 ZINC001423743743 927111230 /nfs/dbraw/zinc/11/12/30/927111230.db2.gz DKUVZZCQQJCLRA-JOYOIKCWSA-N 1 1 313.383 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C2CCOCC2)C1 ZINC001423745445 927111265 /nfs/dbraw/zinc/11/12/65/927111265.db2.gz SQDQQEFXPGURHQ-HIFRSBDPSA-N 1 1 316.398 -1.027 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001423743245 927111893 /nfs/dbraw/zinc/11/18/93/927111893.db2.gz PVBNUCLGENVUJH-FZMZJTMJSA-N 1 1 312.370 -2.046 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001423748439 927112185 /nfs/dbraw/zinc/11/21/85/927112185.db2.gz XRXZZNIIUDGMLU-LKFCYVNXSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC2CC2)C1 ZINC001423748439 927112193 /nfs/dbraw/zinc/11/21/93/927112193.db2.gz XRXZZNIIUDGMLU-LKFCYVNXSA-N 1 1 312.370 -1.077 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001423743361 927112768 /nfs/dbraw/zinc/11/27/68/927112768.db2.gz ANZWKIGRYHURDJ-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO COCC(=O)NC[C@@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001423743361 927112776 /nfs/dbraw/zinc/11/27/76/927112776.db2.gz ANZWKIGRYHURDJ-NSHDSACASA-N 1 1 309.388 -2.265 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001423748441 927112850 /nfs/dbraw/zinc/11/28/50/927112850.db2.gz XRXZZNIIUDGMLU-XPTSAGLGSA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001423748441 927112860 /nfs/dbraw/zinc/11/28/60/927112860.db2.gz XRXZZNIIUDGMLU-XPTSAGLGSA-N 1 1 312.370 -1.077 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423759996 927113697 /nfs/dbraw/zinc/11/36/97/927113697.db2.gz IYZWGCMUUFDMTK-LALPHHSUSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001423759931 927115551 /nfs/dbraw/zinc/11/55/51/927115551.db2.gz IVOYGEZPZHRAIQ-YGRLFVJLSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001423759931 927115554 /nfs/dbraw/zinc/11/55/54/927115554.db2.gz IVOYGEZPZHRAIQ-YGRLFVJLSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001423756082 927115607 /nfs/dbraw/zinc/11/56/07/927115607.db2.gz FJBUPEOYXDWQAR-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001423756082 927115609 /nfs/dbraw/zinc/11/56/09/927115609.db2.gz FJBUPEOYXDWQAR-YGRLFVJLSA-N 1 1 312.370 -2.188 20 0 DAADMO Cn1nncc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001423756974 927115748 /nfs/dbraw/zinc/11/57/48/927115748.db2.gz JMVGUAUMQCLLBW-QMTHXVAHSA-N 1 1 322.369 -1.740 20 0 DAADMO CNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001423757585 927116193 /nfs/dbraw/zinc/11/61/93/927116193.db2.gz HNUSWZSJGSXBSH-SWLSCSKDSA-N 1 1 312.414 -1.230 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001423759568 927116466 /nfs/dbraw/zinc/11/64/66/927116466.db2.gz GXPVTVVTDHSPOC-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(C)cn2)C1 ZINC001423759568 927116473 /nfs/dbraw/zinc/11/64/73/927116473.db2.gz GXPVTVVTDHSPOC-AWEZNQCLSA-N 1 1 309.370 -1.277 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CC(C)(C)O)C1 ZINC001423753212 927116621 /nfs/dbraw/zinc/11/66/21/927116621.db2.gz CVTFEIVHIJDFBX-YGRLFVJLSA-N 1 1 301.387 -1.165 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)n1 ZINC001423770545 927117903 /nfs/dbraw/zinc/11/79/03/927117903.db2.gz FDEXIGBYADUESV-CYBMUJFWSA-N 1 1 323.357 -2.345 20 0 DAADMO Cn1nnc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)n1 ZINC001423770545 927117914 /nfs/dbraw/zinc/11/79/14/927117914.db2.gz FDEXIGBYADUESV-CYBMUJFWSA-N 1 1 323.357 -2.345 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423766635 927118488 /nfs/dbraw/zinc/11/84/88/927118488.db2.gz QATXRCYZKHWNQX-CQSZACIVSA-N 1 1 324.385 -1.655 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001423766635 927118502 /nfs/dbraw/zinc/11/85/02/927118502.db2.gz QATXRCYZKHWNQX-CQSZACIVSA-N 1 1 324.385 -1.655 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423761410 927119658 /nfs/dbraw/zinc/11/96/58/927119658.db2.gz WNRODUIFIQRTNY-GFCCVEGCSA-N 1 1 313.383 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423761410 927119667 /nfs/dbraw/zinc/11/96/67/927119667.db2.gz WNRODUIFIQRTNY-GFCCVEGCSA-N 1 1 313.383 -1.159 20 0 DAADMO CC[C@H](C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1)OC ZINC001423763554 927119724 /nfs/dbraw/zinc/11/97/24/927119724.db2.gz NHXIPNGWPNWJLT-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@]1(O)CC[N@H+](C(C)C)C1 ZINC001423761450 927119851 /nfs/dbraw/zinc/11/98/51/927119851.db2.gz KRFSOVLSFSYADD-LBPRGKRZSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423764448 927120008 /nfs/dbraw/zinc/12/00/08/927120008.db2.gz ZLLNGALNFCQBQD-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001423764448 927120019 /nfs/dbraw/zinc/12/00/19/927120019.db2.gz ZLLNGALNFCQBQD-QPUJVOFHSA-N 1 1 313.383 -1.161 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001423760856 927120174 /nfs/dbraw/zinc/12/01/74/927120174.db2.gz HDTZNMBDXOBTPN-ZWNOBZJWSA-N 1 1 302.375 -1.497 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001423772920 927121896 /nfs/dbraw/zinc/12/18/96/927121896.db2.gz ZZYMFQFDCVVDLG-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[nH]2)C1 ZINC001423772920 927121902 /nfs/dbraw/zinc/12/19/02/927121902.db2.gz ZZYMFQFDCVVDLG-CQSZACIVSA-N 1 1 324.385 -1.622 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001423777346 927122220 /nfs/dbraw/zinc/12/22/20/927122220.db2.gz JIJXQKJENAVVAF-GXSJLCMTSA-N 1 1 324.403 -3.026 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773535 927122396 /nfs/dbraw/zinc/12/23/96/927122396.db2.gz HQGKZYMFMAUVSB-NHYWBVRUSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)c1cnn(C)c1 ZINC001423773535 927122404 /nfs/dbraw/zinc/12/24/04/927122404.db2.gz HQGKZYMFMAUVSB-NHYWBVRUSA-N 1 1 323.397 -1.048 20 0 DAADMO Cc1nnccc1C(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001423773083 927122903 /nfs/dbraw/zinc/12/29/03/927122903.db2.gz IVJAEJLMOCQELV-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cc1nnccc1C(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001423773083 927122909 /nfs/dbraw/zinc/12/29/09/927122909.db2.gz IVJAEJLMOCQELV-IINYFYTJSA-N 1 1 307.354 -1.175 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)N3CCC3)C2)n1 ZINC001423789249 927125564 /nfs/dbraw/zinc/12/55/64/927125564.db2.gz KTUZRPMPDXAMQS-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO Cn1ncc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)N3CCC3)C2)n1 ZINC001423789249 927125577 /nfs/dbraw/zinc/12/55/77/927125577.db2.gz KTUZRPMPDXAMQS-CQSZACIVSA-N 1 1 322.369 -1.786 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC001423787465 927125887 /nfs/dbraw/zinc/12/58/87/927125887.db2.gz ILTQKMALBZXRDK-YGRLFVJLSA-N 1 1 320.353 -1.328 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001423788765 927126423 /nfs/dbraw/zinc/12/64/23/927126423.db2.gz JXRSHBWZONWKHY-SMDDNHRTSA-N 1 1 315.370 -1.780 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)COC[C@@H]2CCCO2)C1 ZINC001423788765 927126432 /nfs/dbraw/zinc/12/64/32/927126432.db2.gz JXRSHBWZONWKHY-SMDDNHRTSA-N 1 1 315.370 -1.780 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001423788861 927126783 /nfs/dbraw/zinc/12/67/83/927126783.db2.gz KPINXRBKYKIMOW-CQSZACIVSA-N 1 1 309.370 -1.476 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001423788861 927126792 /nfs/dbraw/zinc/12/67/92/927126792.db2.gz KPINXRBKYKIMOW-CQSZACIVSA-N 1 1 309.370 -1.476 20 0 DAADMO CC(C)[N@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001423792009 927126968 /nfs/dbraw/zinc/12/69/68/927126968.db2.gz HBVCWWMJMWZFDA-LBPRGKRZSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[N@H+]1CC[C@](O)(CNC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001423785786 927127288 /nfs/dbraw/zinc/12/72/88/927127288.db2.gz GQWAUKDWCNGGFJ-ZDUSSCGKSA-N 1 1 324.385 -1.248 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001423790267 927127523 /nfs/dbraw/zinc/12/75/23/927127523.db2.gz GVTUIMXOQGHUIS-QMTHXVAHSA-N 1 1 309.370 -1.360 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001423790661 927127679 /nfs/dbraw/zinc/12/76/79/927127679.db2.gz MOBXGRWVPIYGLU-MEBBXXQBSA-N 1 1 322.365 -1.272 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001423787588 927127711 /nfs/dbraw/zinc/12/77/11/927127711.db2.gz RHGYGMIKSQULDR-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001423787588 927127719 /nfs/dbraw/zinc/12/77/19/927127719.db2.gz RHGYGMIKSQULDR-OAHLLOKOSA-N 1 1 321.381 -1.129 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001423782501 927127738 /nfs/dbraw/zinc/12/77/38/927127738.db2.gz AMDZRKVMXCMVJD-GPCCPHFNSA-N 1 1 312.370 -1.220 20 0 DAADMO CC[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001423782501 927127744 /nfs/dbraw/zinc/12/77/44/927127744.db2.gz AMDZRKVMXCMVJD-GPCCPHFNSA-N 1 1 312.370 -1.220 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)nc1 ZINC001423788799 927127778 /nfs/dbraw/zinc/12/77/78/927127778.db2.gz KILPGCMCPMNEDE-OAHLLOKOSA-N 1 1 322.365 -1.271 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423783514 927128162 /nfs/dbraw/zinc/12/81/62/927128162.db2.gz ZJOJUNHUEPGPFH-CYBMUJFWSA-N 1 1 310.358 -1.584 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nnc2C)C1 ZINC001423783514 927128174 /nfs/dbraw/zinc/12/81/74/927128174.db2.gz ZJOJUNHUEPGPFH-CYBMUJFWSA-N 1 1 310.358 -1.584 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001423790272 927128265 /nfs/dbraw/zinc/12/82/65/927128265.db2.gz GVTUIMXOQGHUIS-YGRLFVJLSA-N 1 1 309.370 -1.360 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCNC(=O)C2CC2)C1)c1nnc[nH]1 ZINC001423798627 927129673 /nfs/dbraw/zinc/12/96/73/927129673.db2.gz WFMCJWJTVVYGBJ-CQSZACIVSA-N 1 1 322.369 -1.503 20 0 DAADMO CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001423793784 927129807 /nfs/dbraw/zinc/12/98/07/927129807.db2.gz IQZMEFGFZHBHJB-IINYFYTJSA-N 1 1 312.370 -1.062 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001423793772 927129855 /nfs/dbraw/zinc/12/98/55/927129855.db2.gz DZECYLDPTWXCHV-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001423798591 927130416 /nfs/dbraw/zinc/13/04/16/927130416.db2.gz PITUGOSIPRUZSV-OAHLLOKOSA-N 1 1 324.381 -1.339 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001423794462 927130429 /nfs/dbraw/zinc/13/04/29/927130429.db2.gz SYLZHQZIONHVJV-JQWIXIFHSA-N 1 1 308.400 -1.788 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423794462 927130437 /nfs/dbraw/zinc/13/04/37/927130437.db2.gz SYLZHQZIONHVJV-JQWIXIFHSA-N 1 1 308.400 -1.788 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423797813 927130488 /nfs/dbraw/zinc/13/04/88/927130488.db2.gz WDZQMFYMEHXIIA-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001423797813 927130495 /nfs/dbraw/zinc/13/04/95/927130495.db2.gz WDZQMFYMEHXIIA-CYBMUJFWSA-N 1 1 310.358 -1.882 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cncc(OC)n2)C1 ZINC001423795311 927130833 /nfs/dbraw/zinc/13/08/33/927130833.db2.gz KUSSBEZDNRJYFT-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncc(OC)n2)C1 ZINC001423795311 927130839 /nfs/dbraw/zinc/13/08/39/927130839.db2.gz KUSSBEZDNRJYFT-CQSZACIVSA-N 1 1 323.353 -1.602 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)c3cnon3)C2)C1=O ZINC001423799772 927131168 /nfs/dbraw/zinc/13/11/68/927131168.db2.gz YHKATALPRGSSSC-RISCZKNCSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCCNC2=O)C1)c1cnon1 ZINC001423797614 927131229 /nfs/dbraw/zinc/13/12/29/927131229.db2.gz VDXHJKBONFYHHP-MFKMUULPSA-N 1 1 309.326 -1.485 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798164 927131327 /nfs/dbraw/zinc/13/13/27/927131327.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 1 1 314.386 -2.255 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001423798164 927131336 /nfs/dbraw/zinc/13/13/36/927131336.db2.gz FGYLVCCQYCPVBY-SMDDNHRTSA-N 1 1 314.386 -2.255 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001423794277 927132147 /nfs/dbraw/zinc/13/21/47/927132147.db2.gz WEHPLGDCVWWOFJ-OTYXRUKQSA-N 1 1 310.354 -1.339 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001423801923 927135094 /nfs/dbraw/zinc/13/50/94/927135094.db2.gz UXHJJSLHWOTGSQ-HNNXBMFYSA-N 1 1 323.397 -1.396 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001423801923 927135103 /nfs/dbraw/zinc/13/51/03/927135103.db2.gz UXHJJSLHWOTGSQ-HNNXBMFYSA-N 1 1 323.397 -1.396 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001423800226 927135152 /nfs/dbraw/zinc/13/51/52/927135152.db2.gz KLTDWUPNQMQYKY-ZUZCIYMTSA-N 1 1 322.365 -1.272 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CCN([C@@H](C)C(N)=O)C1 ZINC001423801312 927135358 /nfs/dbraw/zinc/13/53/58/927135358.db2.gz NIYAQBGAYFCHJV-FZMZJTMJSA-N 1 1 300.403 -1.247 20 0 DAADMO Cn1nnnc1CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001423804131 927135714 /nfs/dbraw/zinc/13/57/14/927135714.db2.gz XKXIUIRZDQPPPA-FZMZJTMJSA-N 1 1 323.401 -1.785 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN([C@H](C)C(N)=O)C2)CC[N@H+]1C ZINC001423819284 927140092 /nfs/dbraw/zinc/14/00/92/927140092.db2.gz HYQADHDJHAVRKA-GRYCIOLGSA-N 1 1 312.414 -1.247 20 0 DAADMO CC[C@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423820084 927141203 /nfs/dbraw/zinc/14/12/03/927141203.db2.gz KSLMYRABFKZYGZ-IJLUTSLNSA-N 1 1 312.414 -1.247 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001423820093 927141505 /nfs/dbraw/zinc/14/15/05/927141505.db2.gz KSLMYRABFKZYGZ-UTUOFQBUSA-N 1 1 312.414 -1.247 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001423826435 927142906 /nfs/dbraw/zinc/14/29/06/927142906.db2.gz HHRORJTZCYGSHR-GFCCVEGCSA-N 1 1 324.385 -2.228 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(CCn3cncn3)C2)C1 ZINC001423826435 927142916 /nfs/dbraw/zinc/14/29/16/927142916.db2.gz HHRORJTZCYGSHR-GFCCVEGCSA-N 1 1 324.385 -2.228 20 0 DAADMO CCC[NH+]1CC(O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001423827262 927145437 /nfs/dbraw/zinc/14/54/37/927145437.db2.gz VONNSRHQSYIABB-UHFFFAOYSA-N 1 1 310.354 -1.880 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001423833136 927149411 /nfs/dbraw/zinc/14/94/11/927149411.db2.gz YSHIGAZVCQILNG-NSHDSACASA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001423833136 927149419 /nfs/dbraw/zinc/14/94/19/927149419.db2.gz YSHIGAZVCQILNG-NSHDSACASA-N 1 1 324.385 -2.191 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@@H]2CCCO2)C1)[C@H]1CCC(=O)N1 ZINC001423832405 927149673 /nfs/dbraw/zinc/14/96/73/927149673.db2.gz YMEORANCSYETFQ-NWDGAFQWSA-N 1 1 311.382 -1.003 20 0 DAADMO CC(C)C[NH+]1CC(O)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001423865941 927159506 /nfs/dbraw/zinc/15/95/06/927159506.db2.gz ILOLAGYPFAVQKT-UHFFFAOYSA-N 1 1 311.386 -1.209 20 0 DAADMO CCNC(=O)CN1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001423870128 927162036 /nfs/dbraw/zinc/16/20/36/927162036.db2.gz LGJNZAYOGICRPY-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001423958074 927175818 /nfs/dbraw/zinc/17/58/18/927175818.db2.gz FKHAQWBZQKDQLK-CLLJXQQHSA-N 1 1 323.397 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cnnn1)C2 ZINC001423962845 927176253 /nfs/dbraw/zinc/17/62/53/927176253.db2.gz MJDUUPDEYAWEDU-YFKTTZPYSA-N 1 1 321.385 -1.094 20 0 DAADMO CCC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)S(N)(=O)=O ZINC001423980992 927176952 /nfs/dbraw/zinc/17/69/52/927176952.db2.gz SPEFATLVDSXKPP-GRYCIOLGSA-N 1 1 319.427 -1.174 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C1 ZINC001423985562 927178834 /nfs/dbraw/zinc/17/88/34/927178834.db2.gz XNFHZHWQULPHJF-WHOHXGKFSA-N 1 1 324.381 -1.004 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3ccnc3)C[C@H]2C1 ZINC001423994560 927178908 /nfs/dbraw/zinc/17/89/08/927178908.db2.gz ABJBYPVFMXQZMB-PHIMTYICSA-N 1 1 320.353 -1.532 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCCS2(=O)=O)C1 ZINC001424018713 927181531 /nfs/dbraw/zinc/18/15/31/927181531.db2.gz YIWCAZNMHWIYQE-ZDUSSCGKSA-N 1 1 319.427 -1.015 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001424021156 927181692 /nfs/dbraw/zinc/18/16/92/927181692.db2.gz BIQYRQGLMOPTQZ-IUODEOHRSA-N 1 1 312.414 -1.243 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(CC(N)=O)C2)C1 ZINC001424021154 927183177 /nfs/dbraw/zinc/18/31/77/927183177.db2.gz BIQYRQGLMOPTQZ-DOMZBBRYSA-N 1 1 312.414 -1.243 20 0 DAADMO CCN1C[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)CC1=O ZINC001424020303 927183219 /nfs/dbraw/zinc/18/32/19/927183219.db2.gz LATMQZDCYBMJDO-IUODEOHRSA-N 1 1 313.398 -1.210 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001424008779 927183666 /nfs/dbraw/zinc/18/36/66/927183666.db2.gz FLUSBALOARXGAC-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)N(C)C)C1 ZINC001424008779 927183676 /nfs/dbraw/zinc/18/36/76/927183676.db2.gz FLUSBALOARXGAC-AWEZNQCLSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001424023263 927185400 /nfs/dbraw/zinc/18/54/00/927185400.db2.gz PLYDUDLMMQFOTK-AWEZNQCLSA-N 1 1 310.354 -1.088 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cn1ncnn1)c1ncccn1 ZINC001424042748 927185576 /nfs/dbraw/zinc/18/55/76/927185576.db2.gz AOQQIDWTBHGSER-NSHDSACASA-N 1 1 320.357 -1.365 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)c2nnn(C)n2)[nH]1 ZINC001424039630 927186372 /nfs/dbraw/zinc/18/63/72/927186372.db2.gz AHMISDKIKPWSDQ-MRVPVSSYSA-N 1 1 323.361 -1.578 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001424047080 927189062 /nfs/dbraw/zinc/18/90/62/927189062.db2.gz GFZYTIFOVTYIFQ-SNVBAGLBSA-N 1 1 322.373 -1.353 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)Cn1ccnc1)c1nnnn1C ZINC001424076289 927194275 /nfs/dbraw/zinc/19/42/75/927194275.db2.gz QOYRSGAFXUKPSY-NSHDSACASA-N 1 1 322.373 -1.422 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110725 927196267 /nfs/dbraw/zinc/19/62/67/927196267.db2.gz YWKGCBKNMDPWJX-GHMZBOCLSA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cc1nnc[nH]1 ZINC001424110725 927196274 /nfs/dbraw/zinc/19/62/74/927196274.db2.gz YWKGCBKNMDPWJX-GHMZBOCLSA-N 1 1 324.385 -1.359 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107768 927196390 /nfs/dbraw/zinc/19/63/90/927196390.db2.gz UMQFPWCTDPFEHW-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1nccn1 ZINC001424107768 927196395 /nfs/dbraw/zinc/19/63/95/927196395.db2.gz UMQFPWCTDPFEHW-NWDGAFQWSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001424148563 927204173 /nfs/dbraw/zinc/20/41/73/927204173.db2.gz KIMBLGNGYHMOMU-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)NCC(=O)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001424217874 927208737 /nfs/dbraw/zinc/20/87/37/927208737.db2.gz KIEDZISVTRINAI-JTQLQIEISA-N 1 1 312.330 -1.684 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001424229147 927211106 /nfs/dbraw/zinc/21/11/06/927211106.db2.gz MEKNAYWSEXXJMK-MWLCHTKSSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001424229147 927211114 /nfs/dbraw/zinc/21/11/14/927211114.db2.gz MEKNAYWSEXXJMK-MWLCHTKSSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCO1)C(N)=O ZINC001424229150 927212354 /nfs/dbraw/zinc/21/23/54/927212354.db2.gz MEKNAYWSEXXJMK-ONGXEEELSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCO1)C(N)=O ZINC001424229150 927212368 /nfs/dbraw/zinc/21/23/68/927212368.db2.gz MEKNAYWSEXXJMK-ONGXEEELSA-N 1 1 310.358 -1.572 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001424289126 927216325 /nfs/dbraw/zinc/21/63/25/927216325.db2.gz XGECZVAOWQABJA-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001424273941 927217253 /nfs/dbraw/zinc/21/72/53/927217253.db2.gz UCTLMHPYGIBRRV-RYUDHWBXSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001424307993 927220007 /nfs/dbraw/zinc/22/00/07/927220007.db2.gz PGSIBQHPFXIDPA-QWRGUYRKSA-N 1 1 313.402 -1.075 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001424331110 927222458 /nfs/dbraw/zinc/22/24/58/927222458.db2.gz JFPXKFBHYMKNQQ-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC2(C[NH+](C[C@@H](C)O)C2)O1 ZINC001424342588 927223525 /nfs/dbraw/zinc/22/35/25/927223525.db2.gz BWPQDVVSEKZKLN-MNOVXSKESA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H]1CCC2(C[NH+](C[C@H](C)O)C2)O1 ZINC001424342592 927224523 /nfs/dbraw/zinc/22/45/23/927224523.db2.gz BWPQDVVSEKZKLN-QWRGUYRKSA-N 1 1 314.386 -1.354 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H]1CCC2(C[NH+](C[C@H](C)O)C2)O1 ZINC001424342596 927224864 /nfs/dbraw/zinc/22/48/64/927224864.db2.gz BWPQDVVSEKZKLN-WDEREUQCSA-N 1 1 314.386 -1.354 20 0 DAADMO Cn1cc(C[NH2+][C@@]2(CO)CCCN(C(=O)c3nc[nH]n3)C2)nn1 ZINC001424412775 927231475 /nfs/dbraw/zinc/23/14/75/927231475.db2.gz XPIVFRNARIXSCE-ZDUSSCGKSA-N 1 1 320.357 -1.310 20 0 DAADMO O=C(NC1(C[NH2+]Cc2cnon2)CCOCC1)[C@H]1CNC(=O)N1 ZINC001424429413 927235564 /nfs/dbraw/zinc/23/55/64/927235564.db2.gz RFSYHGIRCJGJBK-SNVBAGLBSA-N 1 1 324.341 -1.494 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001424479003 927238280 /nfs/dbraw/zinc/23/82/80/927238280.db2.gz LNHOGEIHYIJZFX-WCBMZHEXSA-N 1 1 309.374 -1.021 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001424527200 927239842 /nfs/dbraw/zinc/23/98/42/927239842.db2.gz BOFYQNLDBAMUOZ-UHFFFAOYSA-N 1 1 312.414 -1.278 20 0 DAADMO COCCC(=O)N1CCN(C2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001424525812 927240451 /nfs/dbraw/zinc/24/04/51/927240451.db2.gz YJTVBQCAHVGFLH-CQSZACIVSA-N 1 1 315.414 -1.141 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC001424562999 927244287 /nfs/dbraw/zinc/24/42/87/927244287.db2.gz YFPURJYCCOQXOQ-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CC(C)(C)O)CC1 ZINC001424641262 927247844 /nfs/dbraw/zinc/24/78/44/927247844.db2.gz LPZVDBUWPDJMJC-SNVBAGLBSA-N 1 1 301.387 -1.036 20 0 DAADMO COCC(=O)NC1(CO)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001424629329 927248229 /nfs/dbraw/zinc/24/82/29/927248229.db2.gz QSGKOLQLDJCPRD-VIFPVBQESA-N 1 1 316.358 -1.841 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1ccn[nH]1 ZINC001424635531 927248266 /nfs/dbraw/zinc/24/82/66/927248266.db2.gz ADZCXHDUPCPARI-LLVKDONJSA-N 1 1 307.354 -1.145 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1ccn[nH]1 ZINC001424635551 927248378 /nfs/dbraw/zinc/24/83/78/927248378.db2.gz ADZCXHDUPCPARI-NSHDSACASA-N 1 1 307.354 -1.145 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)CC(C)(C)O)CC1 ZINC001424641255 927249324 /nfs/dbraw/zinc/24/93/24/927249324.db2.gz LPZVDBUWPDJMJC-JTQLQIEISA-N 1 1 301.387 -1.036 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001424662199 927251567 /nfs/dbraw/zinc/25/15/67/927251567.db2.gz ZDBTVFAZOGOYJB-VIFPVBQESA-N 1 1 310.358 -1.754 20 0 DAADMO COC[C@H](OC)C(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001424662103 927251818 /nfs/dbraw/zinc/25/18/18/927251818.db2.gz QDWCVWSKDRVQLJ-QWRGUYRKSA-N 1 1 317.386 -1.535 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NC(N)=O ZINC001424691360 927252492 /nfs/dbraw/zinc/25/24/92/927252492.db2.gz LRINLBAAIWMBHS-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO Cn1nncc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NC(N)=O ZINC001424691360 927252510 /nfs/dbraw/zinc/25/25/10/927252510.db2.gz LRINLBAAIWMBHS-VIFPVBQESA-N 1 1 323.357 -1.454 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](C)O ZINC001424700979 927253184 /nfs/dbraw/zinc/25/31/84/927253184.db2.gz IPUAXIFPCKTHEA-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O)S(C)(=O)=O ZINC001424715760 927253326 /nfs/dbraw/zinc/25/33/26/927253326.db2.gz YZMQGUJQBGCPGV-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O)S(C)(=O)=O ZINC001424715760 927253335 /nfs/dbraw/zinc/25/33/35/927253335.db2.gz YZMQGUJQBGCPGV-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O)S(C)(=O)=O ZINC001424715763 927253448 /nfs/dbraw/zinc/25/34/48/927253448.db2.gz YZMQGUJQBGCPGV-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O)S(C)(=O)=O ZINC001424715763 927253461 /nfs/dbraw/zinc/25/34/61/927253461.db2.gz YZMQGUJQBGCPGV-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCO ZINC001424703867 927253732 /nfs/dbraw/zinc/25/37/32/927253732.db2.gz KZUKURNEYADHGX-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](C)O ZINC001424700974 927253912 /nfs/dbraw/zinc/25/39/12/927253912.db2.gz IPUAXIFPCKTHEA-QWRGUYRKSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424738909 927255233 /nfs/dbraw/zinc/25/52/33/927255233.db2.gz BYMJNZYBTULZCJ-PNESKVBLSA-N 1 1 312.414 -1.076 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC001424806675 927258248 /nfs/dbraw/zinc/25/82/48/927258248.db2.gz BKDHTVDMXLEPLM-RKDXNWHRSA-N 1 1 310.358 -1.109 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC001424778795 927258704 /nfs/dbraw/zinc/25/87/04/927258704.db2.gz NENGVMFKFZALNL-IUCAKERBSA-N 1 1 324.389 -1.080 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001424938410 927263277 /nfs/dbraw/zinc/26/32/77/927263277.db2.gz LMLFBKGWUYTCPE-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC001424938437 927263548 /nfs/dbraw/zinc/26/35/48/927263548.db2.gz LMLFBKGWUYTCPE-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001424924579 927264749 /nfs/dbraw/zinc/26/47/49/927264749.db2.gz DPSGXZNTZNVQRN-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001424924579 927264759 /nfs/dbraw/zinc/26/47/59/927264759.db2.gz DPSGXZNTZNVQRN-SECBINFHSA-N 1 1 310.358 -1.074 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)CCN1CCCC1=O ZINC001424945950 927264887 /nfs/dbraw/zinc/26/48/87/927264887.db2.gz UCYSKRXZRSLYOO-LLVKDONJSA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975334 927266755 /nfs/dbraw/zinc/26/67/55/927266755.db2.gz GVRNJVITEFTWGJ-WDEREUQCSA-N 1 1 313.402 -2.011 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001424975334 927266764 /nfs/dbraw/zinc/26/67/64/927266764.db2.gz GVRNJVITEFTWGJ-WDEREUQCSA-N 1 1 313.402 -2.011 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CCN1CCNC1=O ZINC001424983803 927268277 /nfs/dbraw/zinc/26/82/77/927268277.db2.gz LFZQJWPMMFLMGJ-JTQLQIEISA-N 1 1 310.362 -1.865 20 0 DAADMO C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)[N@H+](C)CC(N)=O ZINC001424981435 927268493 /nfs/dbraw/zinc/26/84/93/927268493.db2.gz MZQZBLIZCCJFEL-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)[N@@H+](C)CC(N)=O ZINC001424981435 927268506 /nfs/dbraw/zinc/26/85/06/927268506.db2.gz MZQZBLIZCCJFEL-AXFHLTTASA-N 1 1 314.386 -1.279 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001424996234 927269414 /nfs/dbraw/zinc/26/94/14/927269414.db2.gz NLUOMKVAGCUAJL-ZJUUUORDSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001424996234 927269427 /nfs/dbraw/zinc/26/94/27/927269427.db2.gz NLUOMKVAGCUAJL-ZJUUUORDSA-N 1 1 312.374 -1.718 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001425026627 927269789 /nfs/dbraw/zinc/26/97/89/927269789.db2.gz PGNNNQGJGUOVLH-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001425026627 927269801 /nfs/dbraw/zinc/26/98/01/927269801.db2.gz PGNNNQGJGUOVLH-JTQLQIEISA-N 1 1 310.358 -1.177 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@H+](C)CC(=O)NC(N)=O ZINC001425000953 927270979 /nfs/dbraw/zinc/27/09/79/927270979.db2.gz ICAOFGZHIULDHF-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@@H+](C)CC(=O)NC(N)=O ZINC001425000953 927270986 /nfs/dbraw/zinc/27/09/86/927270986.db2.gz ICAOFGZHIULDHF-SDBXPKJASA-N 1 1 313.358 -1.714 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001425004718 927271077 /nfs/dbraw/zinc/27/10/77/927271077.db2.gz YXZJHAWRRKVZLU-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001425004718 927271098 /nfs/dbraw/zinc/27/10/98/927271098.db2.gz YXZJHAWRRKVZLU-ONGXEEELSA-N 1 1 322.369 -1.452 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001425052462 927273539 /nfs/dbraw/zinc/27/35/39/927273539.db2.gz OVTBKJHAILRUEQ-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001425052462 927273546 /nfs/dbraw/zinc/27/35/46/927273546.db2.gz OVTBKJHAILRUEQ-VIFPVBQESA-N 1 1 308.404 -1.940 20 0 DAADMO C[C@@H](CNC(=O)C[C@]1(C)CCS(=O)(=O)N1)[N@@H+](C)CCO ZINC001425050737 927274495 /nfs/dbraw/zinc/27/44/95/927274495.db2.gz AHAGJELQNVLLSM-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cnon1 ZINC001425035212 927274535 /nfs/dbraw/zinc/27/45/35/927274535.db2.gz KMRLVPGAWSWITH-JGVFFNPUSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[N@H+](C)[C@@H](C)C(N)=O ZINC001425033728 927274958 /nfs/dbraw/zinc/27/49/58/927274958.db2.gz UFOFYBFRAVZHRV-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425033728 927274973 /nfs/dbraw/zinc/27/49/73/927274973.db2.gz UFOFYBFRAVZHRV-IUCAKERBSA-N 1 1 313.358 -1.761 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cnon1 ZINC001425035270 927275040 /nfs/dbraw/zinc/27/50/40/927275040.db2.gz KMRLVPGAWSWITH-SFYZADRCSA-N 1 1 312.330 -1.036 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425048999 927275357 /nfs/dbraw/zinc/27/53/57/927275357.db2.gz WOYYKABFJLTJSS-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001425048999 927275374 /nfs/dbraw/zinc/27/53/74/927275374.db2.gz WOYYKABFJLTJSS-CMPLNLGQSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001425033723 927275622 /nfs/dbraw/zinc/27/56/22/927275622.db2.gz UFOFYBFRAVZHRV-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001425033723 927275636 /nfs/dbraw/zinc/27/56/36/927275636.db2.gz UFOFYBFRAVZHRV-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[N@@H+](C)CCn1cncn1 ZINC001425063202 927277063 /nfs/dbraw/zinc/27/70/63/927277063.db2.gz DGXAEJKUWLWZFL-SNVBAGLBSA-N 1 1 318.403 -1.736 20 0 DAADMO C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425082225 927277964 /nfs/dbraw/zinc/27/79/64/927277964.db2.gz XAJLMASWDAEFEL-VXGBXAGGSA-N 1 1 321.443 -1.466 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001425082225 927277977 /nfs/dbraw/zinc/27/79/77/927277977.db2.gz XAJLMASWDAEFEL-VXGBXAGGSA-N 1 1 321.443 -1.466 20 0 DAADMO CN1CC[C@H](N2CC(CCO)(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001425089616 927280299 /nfs/dbraw/zinc/28/02/99/927280299.db2.gz BZDBSWMHLGJPOQ-STQMWFEESA-N 1 1 324.425 -1.136 20 0 DAADMO COCCN1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001425127110 927286651 /nfs/dbraw/zinc/28/66/51/927286651.db2.gz MLUORYKZEMQRED-UHFFFAOYSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@H](C(N)=O)N1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001425132211 927287171 /nfs/dbraw/zinc/28/71/71/927287171.db2.gz IBYODTTVSMDDPL-VXGBXAGGSA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@@H](C(N)=O)N1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001425132210 927287278 /nfs/dbraw/zinc/28/72/78/927287278.db2.gz IBYODTTVSMDDPL-RYUDHWBXSA-N 1 1 312.414 -1.245 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001425164877 927288218 /nfs/dbraw/zinc/28/82/18/927288218.db2.gz FCGMPEADEWAJFZ-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425211938 927290541 /nfs/dbraw/zinc/29/05/41/927290541.db2.gz NMQWEJGZIQFXBN-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425211941 927290641 /nfs/dbraw/zinc/29/06/41/927290641.db2.gz NMQWEJGZIQFXBN-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425217967 927290879 /nfs/dbraw/zinc/29/08/79/927290879.db2.gz UYFIXCKAKUAOBQ-KOLCDFICSA-N 1 1 322.369 -1.164 20 0 DAADMO C[C@@H](NC(=O)Cc1cc[nH]n1)C1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001425226176 927293698 /nfs/dbraw/zinc/29/36/98/927293698.db2.gz CHJGZTKFQHXUEL-RKDXNWHRSA-N 1 1 322.369 -1.028 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001425229139 927294415 /nfs/dbraw/zinc/29/44/15/927294415.db2.gz LXJWAXDSVHNCJV-KOLCDFICSA-N 1 1 311.386 -1.370 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](CO)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001425287632 927303732 /nfs/dbraw/zinc/30/37/32/927303732.db2.gz YSGQPEINKOMYRO-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC001425291544 927304385 /nfs/dbraw/zinc/30/43/85/927304385.db2.gz NGGSLLJMSRKTDH-NSHDSACASA-N 1 1 311.386 -1.209 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c1=O ZINC001425291537 927305361 /nfs/dbraw/zinc/30/53/61/927305361.db2.gz NGGSLLJMSRKTDH-LLVKDONJSA-N 1 1 311.386 -1.209 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001425295883 927306834 /nfs/dbraw/zinc/30/68/34/927306834.db2.gz JAAVBBTYEHIWFJ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC001425295883 927306842 /nfs/dbraw/zinc/30/68/42/927306842.db2.gz JAAVBBTYEHIWFJ-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425296800 927307049 /nfs/dbraw/zinc/30/70/49/927307049.db2.gz JGIRDPSYNIVIEU-ZJUUUORDSA-N 1 1 316.358 -2.113 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001425313482 927314755 /nfs/dbraw/zinc/31/47/55/927314755.db2.gz YXAHVFSUMOBYMG-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001425313412 927315266 /nfs/dbraw/zinc/31/52/66/927315266.db2.gz JCGYFYYGSJRFNA-FIQHERPVSA-N 1 1 321.385 -1.371 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001425319000 927317316 /nfs/dbraw/zinc/31/73/16/927317316.db2.gz DUJNHJBXFGYZSF-LPWJVIDDSA-N 1 1 313.398 -1.234 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)=O)[C@@H]2C1 ZINC001425321620 927317364 /nfs/dbraw/zinc/31/73/64/927317364.db2.gz NRVPRZDANMMLDJ-SYQHCUMBSA-N 1 1 313.398 -1.234 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001425317105 927317577 /nfs/dbraw/zinc/31/75/77/927317577.db2.gz MDOQEYYNVRHYJK-KKOKHZNYSA-N 1 1 310.398 -1.059 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001425316856 927317631 /nfs/dbraw/zinc/31/76/31/927317631.db2.gz LLJCWCFMTPTHIM-FIQHERPVSA-N 1 1 319.427 -1.400 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2C1 ZINC001425324640 927318546 /nfs/dbraw/zinc/31/85/46/927318546.db2.gz QRBLFZHGMTVJDT-XWLWVQCSSA-N 1 1 307.358 -1.898 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1ccnn1 ZINC001425323298 927319172 /nfs/dbraw/zinc/31/91/72/927319172.db2.gz BWAOZOODNZLXLR-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1ccnn1 ZINC001425323285 927319711 /nfs/dbraw/zinc/31/97/11/927319711.db2.gz BWAOZOODNZLXLR-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO Cc1cncn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425331802 927321470 /nfs/dbraw/zinc/32/14/70/927321470.db2.gz UKKLEQMOQVJWOB-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c1=O ZINC001425335255 927323207 /nfs/dbraw/zinc/32/32/07/927323207.db2.gz VZVVIJHIROEMSF-CNDDSTCGSA-N 1 1 322.365 -2.167 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001425343557 927325784 /nfs/dbraw/zinc/32/57/84/927325784.db2.gz WXEKNKIDRDLWIO-FIQHERPVSA-N 1 1 310.398 -1.072 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2cnnn2C)CC[N@H+]1C ZINC001425351905 927327289 /nfs/dbraw/zinc/32/72/89/927327289.db2.gz FGGFPAUHHCKDHK-OUAUKWLOSA-N 1 1 324.385 -1.638 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nc[nH]n4)[C@@H]3C2)C1=O ZINC001425349537 927328022 /nfs/dbraw/zinc/32/80/22/927328022.db2.gz JEADGTOONXXWAA-WISYIIOYSA-N 1 1 318.381 -1.128 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nnc[nH]4)[C@@H]3C2)C1=O ZINC001425349537 927328035 /nfs/dbraw/zinc/32/80/35/927328035.db2.gz JEADGTOONXXWAA-WISYIIOYSA-N 1 1 318.381 -1.128 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4nnc[nH]4)[C@@H]3C2)C1=O ZINC001425349537 927328050 /nfs/dbraw/zinc/32/80/50/927328050.db2.gz JEADGTOONXXWAA-WISYIIOYSA-N 1 1 318.381 -1.128 20 0 DAADMO CC(C)(C)C(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001425352363 927328942 /nfs/dbraw/zinc/32/89/42/927328942.db2.gz AQSFGXBZBVMDGD-RTCCRHLQSA-N 1 1 310.398 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(C)(C)O)C1 ZINC001425352613 927331084 /nfs/dbraw/zinc/33/10/84/927331084.db2.gz RTWGVTKGIXKJSB-MNOVXSKESA-N 1 1 301.387 -1.308 20 0 DAADMO Cn1nncc1C(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425362403 927334425 /nfs/dbraw/zinc/33/44/25/927334425.db2.gz QVJITRAJXUWNEE-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2cncnc2)C1 ZINC001425360759 927335616 /nfs/dbraw/zinc/33/56/16/927335616.db2.gz VWTRYWIOAFAZIZ-JQWIXIFHSA-N 1 1 307.354 -1.365 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cnnn1C ZINC001425365945 927337032 /nfs/dbraw/zinc/33/70/32/927337032.db2.gz UZSIJRSDULKKHR-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CCCC(N)=O)C1 ZINC001425387466 927340920 /nfs/dbraw/zinc/34/09/20/927340920.db2.gz BGSZJACOFCOUDY-QWRGUYRKSA-N 1 1 314.386 -1.813 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)Cn2cnnn2)C1 ZINC001425390310 927342905 /nfs/dbraw/zinc/34/29/05/927342905.db2.gz ICXMVAQHCZPSBN-UWVGGRQHSA-N 1 1 311.346 -2.782 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)Cc1cc[nH]n1 ZINC001425389856 927344306 /nfs/dbraw/zinc/34/43/06/927344306.db2.gz ILJCXURGAWQCIE-LBPRGKRZSA-N 1 1 320.353 -1.249 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425389514 927344523 /nfs/dbraw/zinc/34/45/23/927344523.db2.gz GSIUHWWGTVJCEK-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1c[nH]cc1C(=O)NC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425389514 927344536 /nfs/dbraw/zinc/34/45/36/927344536.db2.gz GSIUHWWGTVJCEK-DGCLKSJQSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001425396087 927347992 /nfs/dbraw/zinc/34/79/92/927347992.db2.gz VPOZJGWGLCPEAQ-RYUDHWBXSA-N 1 1 310.354 -1.036 20 0 DAADMO Cc1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC001425400608 927348089 /nfs/dbraw/zinc/34/80/89/927348089.db2.gz YGEKAYXHAHRXCQ-MNOVXSKESA-N 1 1 309.370 -1.123 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)COC)C1 ZINC001425399779 927348207 /nfs/dbraw/zinc/34/82/07/927348207.db2.gz FKRSIJYLROMNLT-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)COC)C1 ZINC001425399779 927348221 /nfs/dbraw/zinc/34/82/21/927348221.db2.gz FKRSIJYLROMNLT-WDEREUQCSA-N 1 1 303.359 -2.053 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCO1 ZINC001425396084 927348904 /nfs/dbraw/zinc/34/89/04/927348904.db2.gz VPOZJGWGLCPEAQ-NWDGAFQWSA-N 1 1 310.354 -1.036 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)Cn1nccn1 ZINC001425396636 927349402 /nfs/dbraw/zinc/34/94/02/927349402.db2.gz WKRXPZSPJIYFNK-LLVKDONJSA-N 1 1 321.341 -1.923 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn(C)cn2)CC[N@H+]1C ZINC001425406685 927350938 /nfs/dbraw/zinc/35/09/38/927350938.db2.gz NRCWWYUCKBVEFB-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)Cn1cnnn1 ZINC001425401525 927351554 /nfs/dbraw/zinc/35/15/54/927351554.db2.gz BGHPAJSHMFKAER-JTQLQIEISA-N 1 1 313.362 -2.393 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001425414420 927354184 /nfs/dbraw/zinc/35/41/84/927354184.db2.gz GBQRKIYSOCGOEC-MGCOHNPYSA-N 1 1 324.389 -1.486 20 0 DAADMO CN(CC(=O)N1CCC([N@@H+](C)CCO)CC1)S(C)(=O)=O ZINC001425430336 927355461 /nfs/dbraw/zinc/35/54/61/927355461.db2.gz GFZLFCGFHONPIF-UHFFFAOYSA-N 1 1 307.416 -1.207 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001425441069 927360408 /nfs/dbraw/zinc/36/04/08/927360408.db2.gz DUEPWIIJWDEFFN-LLVKDONJSA-N 1 1 306.326 -1.178 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439486 927361091 /nfs/dbraw/zinc/36/10/91/927361091.db2.gz BBFODVNWPVRFBS-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439486 927361101 /nfs/dbraw/zinc/36/11/01/927361101.db2.gz BBFODVNWPVRFBS-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439475 927361223 /nfs/dbraw/zinc/36/12/23/927361223.db2.gz BBFODVNWPVRFBS-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)CCC(F)F)C1 ZINC001425439475 927361233 /nfs/dbraw/zinc/36/12/33/927361233.db2.gz BBFODVNWPVRFBS-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001425446983 927363267 /nfs/dbraw/zinc/36/32/67/927363267.db2.gz YTZFBAHMQLOPLU-LBPRGKRZSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCO1 ZINC001425445894 927364218 /nfs/dbraw/zinc/36/42/18/927364218.db2.gz MUMWSMSBVAULHE-NEPJUHHUSA-N 1 1 310.354 -1.036 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425455641 927364752 /nfs/dbraw/zinc/36/47/52/927364752.db2.gz KVTWQVOXANOTQU-NMKXLXIOSA-N 1 1 313.398 -1.186 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001425455639 927365797 /nfs/dbraw/zinc/36/57/97/927365797.db2.gz KVTWQVOXANOTQU-CIQGVGRVSA-N 1 1 313.398 -1.186 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1nonc1C ZINC001425460597 927368104 /nfs/dbraw/zinc/36/81/04/927368104.db2.gz TZVNBSYWYNVGJE-SNVBAGLBSA-N 1 1 313.358 -1.073 20 0 DAADMO CN(C(=O)[C@@H]1COC(=O)N1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001425476211 927372811 /nfs/dbraw/zinc/37/28/11/927372811.db2.gz GKDKLWZIGDXZMF-VHSXEESVSA-N 1 1 323.357 -1.355 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490456 927380281 /nfs/dbraw/zinc/38/02/81/927380281.db2.gz LXNXOZKIZGABTI-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001425490456 927380294 /nfs/dbraw/zinc/38/02/94/927380294.db2.gz LXNXOZKIZGABTI-JQWIXIFHSA-N 1 1 323.353 -1.986 20 0 DAADMO C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1nnnn1C ZINC001425518287 927386126 /nfs/dbraw/zinc/38/61/26/927386126.db2.gz KRUSLUSCONHACW-SNVBAGLBSA-N 1 1 307.362 -1.172 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnn(C)c2)C1 ZINC001425524044 927386886 /nfs/dbraw/zinc/38/68/86/927386886.db2.gz PCLUVWNNCPVTQW-YPMHNXCESA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c2cnn(C)c2)C1 ZINC001425524027 927386990 /nfs/dbraw/zinc/38/69/90/927386990.db2.gz PCLUVWNNCPVTQW-AAEUAGOBSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CO)CNC(=O)Cn2cncn2)C1 ZINC001425526094 927389050 /nfs/dbraw/zinc/38/90/50/927389050.db2.gz TZTHWUAGTFFEAV-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)[NH2+]Cc1nncn1C ZINC001425604576 927397408 /nfs/dbraw/zinc/39/74/08/927397408.db2.gz RQZNFPQBSUUWDH-LLVKDONJSA-N 1 1 323.401 -1.817 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)[NH2+]Cc1cn(C)nn1 ZINC001425601661 927398446 /nfs/dbraw/zinc/39/84/46/927398446.db2.gz NCGKNYHLEFRXNT-ONGXEEELSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)[NH2+]Cc1cnon1 ZINC001425685740 927399440 /nfs/dbraw/zinc/39/94/40/927399440.db2.gz RWMIZHJVCMKWRY-WCBMZHEXSA-N 1 1 317.371 -1.302 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)n1 ZINC001425705073 927402087 /nfs/dbraw/zinc/40/20/87/927402087.db2.gz AGEYWVUTNRJTQA-WDEREUQCSA-N 1 1 323.353 -1.670 20 0 DAADMO CN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCN1CCNC1=O ZINC001425711610 927406799 /nfs/dbraw/zinc/40/67/99/927406799.db2.gz JGXDJWJHWWPQMO-NEPJUHHUSA-N 1 1 313.402 -1.828 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001425731402 927410633 /nfs/dbraw/zinc/41/06/33/927410633.db2.gz HVUHVNWNPTUKEY-JTQLQIEISA-N 1 1 319.369 -1.019 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)C1 ZINC001425727063 927411568 /nfs/dbraw/zinc/41/15/68/927411568.db2.gz PAVJFABZJRJNBA-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)C1 ZINC001425727063 927411576 /nfs/dbraw/zinc/41/15/76/927411576.db2.gz PAVJFABZJRJNBA-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001425733444 927413314 /nfs/dbraw/zinc/41/33/14/927413314.db2.gz LBXYWKHOZFGXQS-MNOVXSKESA-N 1 1 322.373 -1.283 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001425739180 927416005 /nfs/dbraw/zinc/41/60/05/927416005.db2.gz COGAKYZBRARXPQ-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1conc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425738213 927416083 /nfs/dbraw/zinc/41/60/83/927416083.db2.gz RRTVFYOZBKXHKR-DGCLKSJQSA-N 1 1 312.370 -1.120 20 0 DAADMO Cc1conc1CN[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425738213 927416091 /nfs/dbraw/zinc/41/60/91/927416091.db2.gz RRTVFYOZBKXHKR-DGCLKSJQSA-N 1 1 312.370 -1.120 20 0 DAADMO C[C@H]([NH2+][C@@H](CO)CNC(=O)CCc1nc[nH]n1)C(=O)N(C)C ZINC001425738130 927417495 /nfs/dbraw/zinc/41/74/95/927417495.db2.gz PSYHEEZGSDTCBM-VHSXEESVSA-N 1 1 312.374 -1.719 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1)N1CCNC(=O)C1 ZINC001425743619 927418434 /nfs/dbraw/zinc/41/84/34/927418434.db2.gz LYTDSQPZPJRINW-LLVKDONJSA-N 1 1 323.353 -2.347 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCOCC1 ZINC001425742787 927419345 /nfs/dbraw/zinc/41/93/45/927419345.db2.gz XKQLUPDDMZHVKE-GFCCVEGCSA-N 1 1 311.386 -1.681 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2CC)n1 ZINC001425746840 927420956 /nfs/dbraw/zinc/42/09/56/927420956.db2.gz OQOHXJILZPPFQO-SNVBAGLBSA-N 1 1 322.373 -1.210 20 0 DAADMO Cc1cnc(C[NH2+][C@H](CO)CNC(=O)c2ncn(C)n2)cn1 ZINC001425747614 927421668 /nfs/dbraw/zinc/42/16/68/927421668.db2.gz TYCKPNIKMPJXBN-NSHDSACASA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](CO)[NH2+]Cc1conc1C ZINC001425745962 927421711 /nfs/dbraw/zinc/42/17/11/927421711.db2.gz MYBCXBBMQHPDLH-LLVKDONJSA-N 1 1 313.358 -1.131 20 0 DAADMO Cc1cnc([C@H](C)[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)cn1 ZINC001425748968 927421725 /nfs/dbraw/zinc/42/17/25/927421725.db2.gz BVFHOKHUMSSHSL-QWRGUYRKSA-N 1 1 320.357 -1.401 20 0 DAADMO Cc1ncoc1C[NH2+][C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001425747052 927422301 /nfs/dbraw/zinc/42/23/01/927422301.db2.gz XJAVQZSNXIHLKL-JTQLQIEISA-N 1 1 317.367 -1.406 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C)n[nH]1 ZINC001425747747 927422383 /nfs/dbraw/zinc/42/23/83/927422383.db2.gz QITOCJPABOOLQT-PSASIEDQSA-N 1 1 312.374 -1.801 20 0 DAADMO Cc1nccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001425752159 927425028 /nfs/dbraw/zinc/42/50/28/927425028.db2.gz CIZXXIRJAFCPCN-NWDGAFQWSA-N 1 1 321.381 -1.170 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001425750635 927425499 /nfs/dbraw/zinc/42/54/99/927425499.db2.gz GVKRRLZZRLAMRG-RKDXNWHRSA-N 1 1 313.383 -1.369 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001425752167 927425711 /nfs/dbraw/zinc/42/57/11/927425711.db2.gz CIZXXIRJAFCPCN-RYUDHWBXSA-N 1 1 321.381 -1.170 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2nncn2C)CC[N@H+]1C ZINC001425756150 927427590 /nfs/dbraw/zinc/42/75/90/927427590.db2.gz NOLGKRXPYBJBHH-GRYCIOLGSA-N 1 1 310.402 -1.278 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2nncn2C)CC[N@H+]1C ZINC001425756152 927428083 /nfs/dbraw/zinc/42/80/83/927428083.db2.gz NOLGKRXPYBJBHH-IJLUTSLNSA-N 1 1 310.402 -1.278 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425760039 927429646 /nfs/dbraw/zinc/42/96/46/927429646.db2.gz OHJMYWIBBXCLBZ-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001425762529 927432024 /nfs/dbraw/zinc/43/20/24/927432024.db2.gz GHWLYELPLJAVBQ-LLVKDONJSA-N 1 1 320.353 -1.606 20 0 DAADMO O=C(NC[C@H](CO)N[C@H]1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001425764173 927433082 /nfs/dbraw/zinc/43/30/82/927433082.db2.gz BIKATFUBJDUFGV-OLZOCXBDSA-N 1 1 324.425 -1.182 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001425767031 927434750 /nfs/dbraw/zinc/43/47/50/927434750.db2.gz WIQKFWXTXRPJPK-GHMZBOCLSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001425767044 927436282 /nfs/dbraw/zinc/43/62/82/927436282.db2.gz WIQKFWXTXRPJPK-QWRGUYRKSA-N 1 1 324.385 -1.559 20 0 DAADMO Cn1cncc1C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001425772679 927438895 /nfs/dbraw/zinc/43/88/95/927438895.db2.gz UIFKCAPLESZEEW-SECBINFHSA-N 1 1 322.325 -1.273 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]Cc1cnns1)[C@H]1CCC(=O)NC1 ZINC001425774083 927440594 /nfs/dbraw/zinc/44/05/94/927440594.db2.gz AWNOEMXJCQUYTH-DTWKUNHWSA-N 1 1 313.383 -1.369 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cn1cncn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425772689 927440886 /nfs/dbraw/zinc/44/08/86/927440886.db2.gz JSJUNQRLUXUXOO-RYUDHWBXSA-N 1 1 324.385 -1.692 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001425779549 927443564 /nfs/dbraw/zinc/44/35/64/927443564.db2.gz RGEFFOMHZFNACI-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001425781985 927443811 /nfs/dbraw/zinc/44/38/11/927443811.db2.gz KJWFKLKRHANDIS-WDEREUQCSA-N 1 1 324.385 -1.609 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)o1 ZINC001425786705 927444627 /nfs/dbraw/zinc/44/46/27/927444627.db2.gz FXLVESNOKVDGSZ-VIFPVBQESA-N 1 1 323.357 -1.051 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1cn(C)cn1 ZINC001425785163 927445598 /nfs/dbraw/zinc/44/55/98/927445598.db2.gz NDSREKNIPSUHFZ-NWDGAFQWSA-N 1 1 323.397 -1.079 20 0 DAADMO CCc1nc(C)c(C[NH2+][C@@H](CO)CNC(=O)c2nnn(C)n2)o1 ZINC001425786702 927445913 /nfs/dbraw/zinc/44/59/13/927445913.db2.gz FXLVESNOKVDGSZ-SECBINFHSA-N 1 1 323.357 -1.051 20 0 DAADMO Cn1ccnc1CCC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001425788117 927446997 /nfs/dbraw/zinc/44/69/97/927446997.db2.gz NSGDBHLDJZJGSN-LLVKDONJSA-N 1 1 321.385 -1.252 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001425789775 927447517 /nfs/dbraw/zinc/44/75/17/927447517.db2.gz QZTLYRQSZXQIBR-NSHDSACASA-N 1 1 324.341 -1.855 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425794989 927450447 /nfs/dbraw/zinc/45/04/47/927450447.db2.gz HZJOTCGCMIKRHL-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)c2nnn(C)n2)n1 ZINC001425793422 927450556 /nfs/dbraw/zinc/45/05/56/927450556.db2.gz MHRDBMPVTAOUFK-JTQLQIEISA-N 1 1 308.346 -1.693 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NCC(=O)N2CCC2)C1 ZINC001425796856 927450801 /nfs/dbraw/zinc/45/08/01/927450801.db2.gz DMKIVLCWOBMKKU-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001425807812 927456175 /nfs/dbraw/zinc/45/61/75/927456175.db2.gz AOQRQEOXSHYPBP-QWRGUYRKSA-N 1 1 309.370 -1.345 20 0 DAADMO CC[C@@H](N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001425809429 927457219 /nfs/dbraw/zinc/45/72/19/927457219.db2.gz QURJATIIVSSWBF-NWDGAFQWSA-N 1 1 300.403 -1.341 20 0 DAADMO COc1ncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)cn1 ZINC001425811795 927458117 /nfs/dbraw/zinc/45/81/17/927458117.db2.gz INMZAZIPYKEUBR-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO CN(C)C(=O)CN[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001425822712 927462393 /nfs/dbraw/zinc/46/23/93/927462393.db2.gz PUVOMLYXKGPVIU-ZDUSSCGKSA-N 1 1 314.430 -1.127 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cncn2)ncn1 ZINC001425827667 927465045 /nfs/dbraw/zinc/46/50/45/927465045.db2.gz AGEWITXMTOTYMI-GFCCVEGCSA-N 1 1 305.342 -1.357 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001425831022 927467302 /nfs/dbraw/zinc/46/73/02/927467302.db2.gz ZWVBLRLUUVQVJQ-GFCCVEGCSA-N 1 1 305.342 -1.275 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001425831023 927467823 /nfs/dbraw/zinc/46/78/23/927467823.db2.gz ZWVBLRLUUVQVJQ-LBPRGKRZSA-N 1 1 305.342 -1.275 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)c2cccn(C)c2=O)n1 ZINC001425831385 927468066 /nfs/dbraw/zinc/46/80/66/927468066.db2.gz IVUIPCRBEHYPHS-LBPRGKRZSA-N 1 1 319.365 -1.001 20 0 DAADMO COc1cccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC001425832468 927468554 /nfs/dbraw/zinc/46/85/54/927468554.db2.gz ANCVSBFYXVORJY-RYUDHWBXSA-N 1 1 322.365 -1.065 20 0 DAADMO Cn1nnnc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001425839616 927470969 /nfs/dbraw/zinc/47/09/69/927470969.db2.gz UPRDTTXLYXWPNC-WDEREUQCSA-N 1 1 311.390 -1.881 20 0 DAADMO O=C(CCC[NH+]1CCCC1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001425840330 927471462 /nfs/dbraw/zinc/47/14/62/927471462.db2.gz LSGBTLSOKNCLJG-OLZOCXBDSA-N 1 1 312.414 -1.182 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001425837676 927472032 /nfs/dbraw/zinc/47/20/32/927472032.db2.gz OOAIQVDUVMCPFG-NSHDSACASA-N 1 1 321.337 -1.043 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001425846213 927473135 /nfs/dbraw/zinc/47/31/35/927473135.db2.gz BBDXTBJXVSUKCO-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CN(C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1nc[nH]n1 ZINC001425846219 927474063 /nfs/dbraw/zinc/47/40/63/927474063.db2.gz BBDXTBJXVSUKCO-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCn1nncc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425848333 927477042 /nfs/dbraw/zinc/47/70/42/927477042.db2.gz ZXTHZRBUTQFEOQ-NWDGAFQWSA-N 1 1 310.402 -1.184 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001425856634 927478199 /nfs/dbraw/zinc/47/81/99/927478199.db2.gz NTKVGYMQNHBFBI-WCQYABFASA-N 1 1 324.385 -1.607 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001425856629 927479399 /nfs/dbraw/zinc/47/93/99/927479399.db2.gz NTKVGYMQNHBFBI-DGCLKSJQSA-N 1 1 324.385 -1.607 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1nnc[nH]1 ZINC001425867081 927483795 /nfs/dbraw/zinc/48/37/95/927483795.db2.gz PGXJAKAVAOBNKQ-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867081 927483806 /nfs/dbraw/zinc/48/38/06/927483806.db2.gz PGXJAKAVAOBNKQ-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867081 927483818 /nfs/dbraw/zinc/48/38/18/927483818.db2.gz PGXJAKAVAOBNKQ-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1nnc[nH]1 ZINC001425867065 927484773 /nfs/dbraw/zinc/48/47/73/927484773.db2.gz PGXJAKAVAOBNKQ-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867065 927484781 /nfs/dbraw/zinc/48/47/81/927484781.db2.gz PGXJAKAVAOBNKQ-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1ncn[nH]1 ZINC001425867065 927484787 /nfs/dbraw/zinc/48/47/87/927484787.db2.gz PGXJAKAVAOBNKQ-GHMZBOCLSA-N 1 1 324.385 -1.766 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@@H+]1CC(N)=O ZINC001425908159 927488808 /nfs/dbraw/zinc/48/88/08/927488808.db2.gz CMDNZLVWTMATGD-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1[C@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CC(N)=O ZINC001425908159 927488812 /nfs/dbraw/zinc/48/88/12/927488812.db2.gz CMDNZLVWTMATGD-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)Cc1ncn[nH]1 ZINC001425923235 927488874 /nfs/dbraw/zinc/48/88/74/927488874.db2.gz SOOQIANCTVYFMX-VHSXEESVSA-N 1 1 315.399 -1.029 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CNC(=O)C1CC1 ZINC001425981418 927494070 /nfs/dbraw/zinc/49/40/70/927494070.db2.gz UVYOYGUOBXUPEA-GFCCVEGCSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CNC(=O)C1CC1 ZINC001425981422 927494137 /nfs/dbraw/zinc/49/41/37/927494137.db2.gz UVYOYGUOBXUPEA-LBPRGKRZSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1ccnn1C ZINC001425982415 927495408 /nfs/dbraw/zinc/49/54/08/927495408.db2.gz OGXBUXQSMHIJIC-SNVBAGLBSA-N 1 1 307.358 -1.229 20 0 DAADMO Cc1cnc(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cnnn2)nc1 ZINC001425988390 927497020 /nfs/dbraw/zinc/49/70/20/927497020.db2.gz WJGMPRSBHWLZKS-LLVKDONJSA-N 1 1 320.357 -1.619 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1ccc(=O)[nH]n1 ZINC001425987606 927497225 /nfs/dbraw/zinc/49/72/25/927497225.db2.gz UQKVUVVBSDRXFB-JTQLQIEISA-N 1 1 321.341 -1.467 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)C[C@H]1CCNC1=O ZINC001426002187 927500151 /nfs/dbraw/zinc/50/01/51/927500151.db2.gz IYQBRTFFRQJDHB-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CCn1ccnn1 ZINC001426005267 927500591 /nfs/dbraw/zinc/50/05/91/927500591.db2.gz KZEQWJTWBIKKNJ-LBPRGKRZSA-N 1 1 322.373 -1.594 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncccn1 ZINC001426003381 927500789 /nfs/dbraw/zinc/50/07/89/927500789.db2.gz PFSBRURVXYQJCY-VHSXEESVSA-N 1 1 310.358 -1.558 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@H]1CCCC(=O)N1 ZINC001426011506 927503534 /nfs/dbraw/zinc/50/35/34/927503534.db2.gz FBCIJGXQYHPXFP-WDEREUQCSA-N 1 1 324.385 -1.607 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001426012763 927503838 /nfs/dbraw/zinc/50/38/38/927503838.db2.gz WTJBGYUZAIIQST-LLVKDONJSA-N 1 1 324.385 -1.377 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001426013822 927504765 /nfs/dbraw/zinc/50/47/65/927504765.db2.gz HKRQJBQGZBXZEZ-MRVPVSSYSA-N 1 1 309.334 -2.141 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1csnn1 ZINC001426019118 927504963 /nfs/dbraw/zinc/50/49/63/927504963.db2.gz MNXSDOOFXMMURA-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2nnn(C)n2)co1 ZINC001426013363 927505982 /nfs/dbraw/zinc/50/59/82/927505982.db2.gz JQVJKTAKAIVCLT-SNVBAGLBSA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001426024632 927507566 /nfs/dbraw/zinc/50/75/66/927507566.db2.gz IWGGHFHGDWIJBC-SNVBAGLBSA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1ncccn1 ZINC001426028963 927510975 /nfs/dbraw/zinc/51/09/75/927510975.db2.gz WJAAECOEFNKLMS-JTQLQIEISA-N 1 1 305.342 -1.172 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001426055939 927518165 /nfs/dbraw/zinc/51/81/65/927518165.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 1 1 316.402 -2.186 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001426055939 927518174 /nfs/dbraw/zinc/51/81/74/927518174.db2.gz IWEKUQKGOPNBNA-RYUDHWBXSA-N 1 1 316.402 -2.186 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC001426056470 927518706 /nfs/dbraw/zinc/51/87/06/927518706.db2.gz PBDNYZPXJDALIJ-GFCCVEGCSA-N 1 1 317.386 -1.757 20 0 DAADMO COCC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC001426056470 927518718 /nfs/dbraw/zinc/51/87/18/927518718.db2.gz PBDNYZPXJDALIJ-GFCCVEGCSA-N 1 1 317.386 -1.757 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001426057733 927518940 /nfs/dbraw/zinc/51/89/40/927518940.db2.gz MWWGZXGYVLLZQF-NWDGAFQWSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057733 927518947 /nfs/dbraw/zinc/51/89/47/927518947.db2.gz MWWGZXGYVLLZQF-NWDGAFQWSA-N 1 1 311.386 -1.033 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1ccn[nH]1 ZINC001426057733 927518961 /nfs/dbraw/zinc/51/89/61/927518961.db2.gz MWWGZXGYVLLZQF-NWDGAFQWSA-N 1 1 311.386 -1.033 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001426053136 927519011 /nfs/dbraw/zinc/51/90/11/927519011.db2.gz BIYVRCZREMGLHQ-SNVBAGLBSA-N 1 1 324.385 -1.488 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001426053136 927519025 /nfs/dbraw/zinc/51/90/25/927519025.db2.gz BIYVRCZREMGLHQ-SNVBAGLBSA-N 1 1 324.385 -1.488 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058914 927520860 /nfs/dbraw/zinc/52/08/60/927520860.db2.gz IEIGZZQDCSWQIN-BDAKNGLRSA-N 1 1 312.374 -1.759 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001426058914 927520869 /nfs/dbraw/zinc/52/08/69/927520869.db2.gz IEIGZZQDCSWQIN-BDAKNGLRSA-N 1 1 312.374 -1.759 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cccn2nnnc12 ZINC001426062257 927521158 /nfs/dbraw/zinc/52/11/58/927521158.db2.gz CPIVGKINOIMMQB-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001426058439 927521185 /nfs/dbraw/zinc/52/11/85/927521185.db2.gz ILKRCUXQZIVAQC-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001426058439 927521197 /nfs/dbraw/zinc/52/11/97/927521197.db2.gz ILKRCUXQZIVAQC-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001426059993 927521211 /nfs/dbraw/zinc/52/12/11/927521211.db2.gz MNTYZEFRWSMYIC-RYUDHWBXSA-N 1 1 300.359 -1.218 20 0 DAADMO COCCN(CCNC(=O)c1nnc[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426061958 927522439 /nfs/dbraw/zinc/52/24/39/927522439.db2.gz GBBLLBRUFRITGQ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426061958 927522445 /nfs/dbraw/zinc/52/24/45/927522445.db2.gz GBBLLBRUFRITGQ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1ncn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426061958 927522455 /nfs/dbraw/zinc/52/24/55/927522455.db2.gz GBBLLBRUFRITGQ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426061958 927522465 /nfs/dbraw/zinc/52/24/65/927522465.db2.gz GBBLLBRUFRITGQ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1nc[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426061958 927522475 /nfs/dbraw/zinc/52/24/75/927522475.db2.gz GBBLLBRUFRITGQ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)[nH]n1 ZINC001426063605 927522916 /nfs/dbraw/zinc/52/29/16/927522916.db2.gz STZDBLDRVJNUBG-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001426063605 927522924 /nfs/dbraw/zinc/52/29/24/927522924.db2.gz STZDBLDRVJNUBG-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)n[nH]1 ZINC001426063605 927522935 /nfs/dbraw/zinc/52/29/35/927522935.db2.gz STZDBLDRVJNUBG-JQWIXIFHSA-N 1 1 309.370 -1.029 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001426075606 927523719 /nfs/dbraw/zinc/52/37/19/927523719.db2.gz HGDZJVPNFGWIRM-SNVBAGLBSA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001426075606 927523728 /nfs/dbraw/zinc/52/37/28/927523728.db2.gz HGDZJVPNFGWIRM-SNVBAGLBSA-N 1 1 312.374 -1.847 20 0 DAADMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426073407 927524054 /nfs/dbraw/zinc/52/40/54/927524054.db2.gz CQCXOCBETLETLH-GHMZBOCLSA-N 1 1 300.363 -1.541 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)c1cnnn1C ZINC001426072846 927524485 /nfs/dbraw/zinc/52/44/85/927524485.db2.gz FZQLBSVJCHKEBF-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)c1cnnn1C ZINC001426072846 927524498 /nfs/dbraw/zinc/52/44/98/927524498.db2.gz FZQLBSVJCHKEBF-NSHDSACASA-N 1 1 324.385 -1.588 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001426070961 927526181 /nfs/dbraw/zinc/52/61/81/927526181.db2.gz JUMIMDGRXPDYSZ-OLZOCXBDSA-N 1 1 314.386 -1.208 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001426077453 927526250 /nfs/dbraw/zinc/52/62/50/927526250.db2.gz BLZFDODQZQPZAX-NXEZZACHSA-N 1 1 302.375 -2.005 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001426077453 927526255 /nfs/dbraw/zinc/52/62/55/927526255.db2.gz BLZFDODQZQPZAX-NXEZZACHSA-N 1 1 302.375 -2.005 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001426070964 927526488 /nfs/dbraw/zinc/52/64/88/927526488.db2.gz JUMIMDGRXPDYSZ-STQMWFEESA-N 1 1 314.386 -1.208 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001426075603 927526536 /nfs/dbraw/zinc/52/65/36/927526536.db2.gz HGDZJVPNFGWIRM-JTQLQIEISA-N 1 1 312.374 -1.847 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001426075603 927526544 /nfs/dbraw/zinc/52/65/44/927526544.db2.gz HGDZJVPNFGWIRM-JTQLQIEISA-N 1 1 312.374 -1.847 20 0 DAADMO CC[C@H](C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1)OC ZINC001426082536 927526971 /nfs/dbraw/zinc/52/69/71/927526971.db2.gz WFERUNLRUUKREP-GHMZBOCLSA-N 1 1 314.390 -1.000 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001426084933 927527314 /nfs/dbraw/zinc/52/73/14/927527314.db2.gz RFXICBZNEDTPBU-GARJFASQSA-N 1 1 305.350 -1.260 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001426084933 927527322 /nfs/dbraw/zinc/52/73/22/927527322.db2.gz RFXICBZNEDTPBU-GARJFASQSA-N 1 1 305.350 -1.260 20 0 DAADMO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001426082959 927527745 /nfs/dbraw/zinc/52/77/45/927527745.db2.gz AQQCJQZFYYHEAR-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001426082959 927527756 /nfs/dbraw/zinc/52/77/56/927527756.db2.gz AQQCJQZFYYHEAR-NWDGAFQWSA-N 1 1 322.427 -1.039 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001426081115 927527780 /nfs/dbraw/zinc/52/77/80/927527780.db2.gz RLKJYZUHMQQRFL-UWVGGRQHSA-N 1 1 310.358 -1.634 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001426082441 927528379 /nfs/dbraw/zinc/52/83/79/927528379.db2.gz VVPNOGYRDUDYLI-WDEREUQCSA-N 1 1 302.375 -1.593 20 0 DAADMO COc1nn(C)cc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001426080443 927528573 /nfs/dbraw/zinc/52/85/73/927528573.db2.gz PAHWVIKVSOLUJK-SNVBAGLBSA-N 1 1 300.359 -1.214 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001426082392 927528647 /nfs/dbraw/zinc/52/86/47/927528647.db2.gz VORYGPHGOQBKTF-ZJUUUORDSA-N 1 1 320.365 -1.059 20 0 DAADMO CC[C@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001426082392 927528652 /nfs/dbraw/zinc/52/86/52/927528652.db2.gz VORYGPHGOQBKTF-ZJUUUORDSA-N 1 1 320.365 -1.059 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(=O)NC ZINC001426082376 927528684 /nfs/dbraw/zinc/52/86/84/927528684.db2.gz VORYGPHGOQBKTF-NXEZZACHSA-N 1 1 320.365 -1.059 20 0 DAADMO CC[C@@H](F)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(=O)NC ZINC001426082376 927528688 /nfs/dbraw/zinc/52/86/88/927528688.db2.gz VORYGPHGOQBKTF-NXEZZACHSA-N 1 1 320.365 -1.059 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001426078691 927528754 /nfs/dbraw/zinc/52/87/54/927528754.db2.gz DAEXPMHGLAYHSM-ZJUUUORDSA-N 1 1 318.349 -1.079 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426084773 927528794 /nfs/dbraw/zinc/52/87/94/927528794.db2.gz KTEIVYKRMVLLAT-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426084773 927528799 /nfs/dbraw/zinc/52/87/99/927528799.db2.gz KTEIVYKRMVLLAT-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001426079267 927528812 /nfs/dbraw/zinc/52/88/12/927528812.db2.gz JVGULWXHUPBTSZ-LBPRGKRZSA-N 1 1 300.403 -1.421 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001426089173 927528952 /nfs/dbraw/zinc/52/89/52/927528952.db2.gz NASJKCPTDYELEH-NSHDSACASA-N 1 1 310.354 -1.463 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1ccc(C(N)=O)cn1 ZINC001426089167 927529225 /nfs/dbraw/zinc/52/92/25/927529225.db2.gz NASJKCPTDYELEH-LLVKDONJSA-N 1 1 310.354 -1.463 20 0 DAADMO CCCN1C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC1=O ZINC001426100361 927530830 /nfs/dbraw/zinc/53/08/30/927530830.db2.gz LKKQMFSBCSLFBE-STQMWFEESA-N 1 1 315.414 -1.012 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001426101741 927531498 /nfs/dbraw/zinc/53/14/98/927531498.db2.gz OFGNGYNKIOXEIW-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001426104690 927531947 /nfs/dbraw/zinc/53/19/47/927531947.db2.gz VJNMSWDZDDSKMP-MNOVXSKESA-N 1 1 312.374 -1.707 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cn(C)c(=O)n1C ZINC001426094887 927531992 /nfs/dbraw/zinc/53/19/92/927531992.db2.gz ZDPWYZAWJANPPI-NSHDSACASA-N 1 1 314.386 -1.529 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001426093812 927532074 /nfs/dbraw/zinc/53/20/74/927532074.db2.gz DKQYOYNQAFEURQ-GHMZBOCLSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001426093812 927532087 /nfs/dbraw/zinc/53/20/87/927532087.db2.gz DKQYOYNQAFEURQ-GHMZBOCLSA-N 1 1 314.386 -1.766 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001426098241 927532316 /nfs/dbraw/zinc/53/23/16/927532316.db2.gz QELOBQXKPRTUFP-QWRGUYRKSA-N 1 1 308.400 -1.836 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001426098241 927532322 /nfs/dbraw/zinc/53/23/22/927532322.db2.gz QELOBQXKPRTUFP-QWRGUYRKSA-N 1 1 308.400 -1.836 20 0 DAADMO COCC[N@H+](CCNC(=O)Cn1cncn1)[C@H]1CCCNC1=O ZINC001426165603 927533866 /nfs/dbraw/zinc/53/38/66/927533866.db2.gz QJJGNHATLRJXND-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cn1cncn1)[C@H]1CCCNC1=O ZINC001426165603 927533879 /nfs/dbraw/zinc/53/38/79/927533879.db2.gz QJJGNHATLRJXND-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCNC1=O ZINC001426164669 927534280 /nfs/dbraw/zinc/53/42/80/927534280.db2.gz LGHOKQCBSNVSBO-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCNC1=O ZINC001426164669 927534287 /nfs/dbraw/zinc/53/42/87/927534287.db2.gz LGHOKQCBSNVSBO-WDEREUQCSA-N 1 1 312.370 -1.782 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C[C@@H](C)O ZINC001426157999 927534352 /nfs/dbraw/zinc/53/43/52/927534352.db2.gz XKUDAYFEPAQGSD-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001426127443 927534692 /nfs/dbraw/zinc/53/46/92/927534692.db2.gz GSIXPHIAYXTWDB-NSHDSACASA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001426350146 927540464 /nfs/dbraw/zinc/54/04/64/927540464.db2.gz PCDNKBBUYKWIIO-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCS(N)(=O)=O)CC1 ZINC001426523077 927550912 /nfs/dbraw/zinc/55/09/12/927550912.db2.gz FZPCGILXYBTYKJ-UHFFFAOYSA-N 1 1 321.403 -2.216 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001426534394 927552754 /nfs/dbraw/zinc/55/27/54/927552754.db2.gz VACVQKUXXFRPCM-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001426534394 927552762 /nfs/dbraw/zinc/55/27/62/927552762.db2.gz VACVQKUXXFRPCM-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001426534394 927552771 /nfs/dbraw/zinc/55/27/71/927552771.db2.gz VACVQKUXXFRPCM-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618782 927558668 /nfs/dbraw/zinc/55/86/68/927558668.db2.gz SXSVZJMSMPSGCS-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)Cn1cncn1 ZINC001426618782 927558678 /nfs/dbraw/zinc/55/86/78/927558678.db2.gz SXSVZJMSMPSGCS-NEPJUHHUSA-N 1 1 324.385 -1.428 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1OC ZINC001426620292 927558761 /nfs/dbraw/zinc/55/87/61/927558761.db2.gz NGPBDMQKBPDXEQ-IJLUTSLNSA-N 1 1 315.370 -1.695 20 0 DAADMO COCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1OC ZINC001426620292 927558769 /nfs/dbraw/zinc/55/87/69/927558769.db2.gz NGPBDMQKBPDXEQ-IJLUTSLNSA-N 1 1 315.370 -1.695 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001426662076 927567620 /nfs/dbraw/zinc/56/76/20/927567620.db2.gz IIKWLJSKZXDHOD-UTUOFQBUSA-N 1 1 313.398 -1.071 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001426675255 927571295 /nfs/dbraw/zinc/57/12/95/927571295.db2.gz LUPBWOUMIWBNQY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001426675255 927571307 /nfs/dbraw/zinc/57/13/07/927571307.db2.gz LUPBWOUMIWBNQY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001426675255 927571319 /nfs/dbraw/zinc/57/13/19/927571319.db2.gz LUPBWOUMIWBNQY-MNOVXSKESA-N 1 1 324.385 -1.623 20 0 DAADMO CC(=O)NCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001426677959 927573789 /nfs/dbraw/zinc/57/37/89/927573789.db2.gz JSDSKXXVMDCCFO-UTUOFQBUSA-N 1 1 312.370 -2.095 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC(C)(C)CNC(N)=O ZINC001426905026 927588689 /nfs/dbraw/zinc/58/86/89/927588689.db2.gz BOEYUUNXGPKEOR-SNVBAGLBSA-N 1 1 300.407 -1.022 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CNC(N)=O)C1 ZINC001427028137 927591446 /nfs/dbraw/zinc/59/14/46/927591446.db2.gz HENFODLBBSZBIG-ZJUUUORDSA-N 1 1 311.386 -1.431 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001427103613 927595239 /nfs/dbraw/zinc/59/52/39/927595239.db2.gz QNBUDMJKBWFDDP-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[NH+](CC)CC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001427103613 927595248 /nfs/dbraw/zinc/59/52/48/927595248.db2.gz QNBUDMJKBWFDDP-QWRGUYRKSA-N 1 1 324.385 -1.162 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001427135055 927597953 /nfs/dbraw/zinc/59/79/53/927597953.db2.gz ZRVGVLAQFHFDBX-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001427135055 927597964 /nfs/dbraw/zinc/59/79/64/927597964.db2.gz ZRVGVLAQFHFDBX-UTUOFQBUSA-N 1 1 314.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNC(=O)CNC(N)=O)C1 ZINC001427286447 927602202 /nfs/dbraw/zinc/60/22/02/927602202.db2.gz JNVDIVRXTLVAMO-XYPYZODXSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001427374693 927608932 /nfs/dbraw/zinc/60/89/32/927608932.db2.gz QZOKORRHHKAOFG-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001427373547 927608961 /nfs/dbraw/zinc/60/89/61/927608961.db2.gz CPCYINNMLINORY-GXSJLCMTSA-N 1 1 322.369 -1.035 20 0 DAADMO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CNC(N)=O ZINC001427650905 927622697 /nfs/dbraw/zinc/62/26/97/927622697.db2.gz VAXAXIASSLKXPV-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NC(=O)CNC(N)=O)C2)C1 ZINC001427640572 927623506 /nfs/dbraw/zinc/62/35/06/927623506.db2.gz YPQKEORZZIHROP-MNOVXSKESA-N 1 1 311.386 -1.286 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001427672246 927625717 /nfs/dbraw/zinc/62/57/17/927625717.db2.gz GLYGHYHHQXDMFU-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CCC(=O)NC[C@H](CO)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001427726262 927630778 /nfs/dbraw/zinc/63/07/78/927630778.db2.gz DPPNHRAFEQMFSC-NEPJUHHUSA-N 1 1 311.386 -1.183 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001427734103 927634137 /nfs/dbraw/zinc/63/41/37/927634137.db2.gz KXIKZUAZISRVSV-SNVBAGLBSA-N 1 1 313.362 -2.393 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCOC1 ZINC001427766731 927651722 /nfs/dbraw/zinc/65/17/22/927651722.db2.gz PZDVOACPZIORQA-VXGBXAGGSA-N 1 1 310.354 -1.179 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccnn2C)CC[N@H+]1C ZINC001427775025 927656320 /nfs/dbraw/zinc/65/63/20/927656320.db2.gz KOGPDTFQHDQLJO-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccnn2C)CC[N@H+]1C ZINC001427775033 927656670 /nfs/dbraw/zinc/65/66/70/927656670.db2.gz KOGPDTFQHDQLJO-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](CO)CNC(=O)c1ccnn1C ZINC001427778733 927658599 /nfs/dbraw/zinc/65/85/99/927658599.db2.gz NRPWNRDKVBOWFI-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO CCn1ncc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001427775368 927658975 /nfs/dbraw/zinc/65/89/75/927658975.db2.gz HHFPDIMKEYJDLS-JQWIXIFHSA-N 1 1 324.385 -1.401 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782355 927660950 /nfs/dbraw/zinc/66/09/50/927660950.db2.gz UYEAJKNNRZADDF-WDEREUQCSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782355 927660967 /nfs/dbraw/zinc/66/09/67/927660967.db2.gz UYEAJKNNRZADDF-WDEREUQCSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782343 927661770 /nfs/dbraw/zinc/66/17/70/927661770.db2.gz UYEAJKNNRZADDF-GHMZBOCLSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)C2(CF)CC2)C1 ZINC001427782343 927661778 /nfs/dbraw/zinc/66/17/78/927661778.db2.gz UYEAJKNNRZADDF-GHMZBOCLSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783384 927663079 /nfs/dbraw/zinc/66/30/79/927663079.db2.gz YANZGKOUWBDBCO-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(C)(F)F)C1 ZINC001427783384 927663087 /nfs/dbraw/zinc/66/30/87/927663087.db2.gz YANZGKOUWBDBCO-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001427786931 927665870 /nfs/dbraw/zinc/66/58/70/927665870.db2.gz KOUFNAPDWOERMJ-JTQLQIEISA-N 1 1 309.374 -1.117 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001427786942 927665893 /nfs/dbraw/zinc/66/58/93/927665893.db2.gz KOUFNAPDWOERMJ-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CCn1cc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001427788358 927666009 /nfs/dbraw/zinc/66/60/09/927666009.db2.gz ZXJFPGMIZXHUPK-JQWIXIFHSA-N 1 1 324.385 -1.401 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H](CO)CNC(=O)c1cncnc1 ZINC001427785913 927666243 /nfs/dbraw/zinc/66/62/43/927666243.db2.gz BUDVBUADYPHCME-GFCCVEGCSA-N 1 1 318.337 -1.111 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ncn(C)n2)CC[N@H+]1C ZINC001427798560 927672647 /nfs/dbraw/zinc/67/26/47/927672647.db2.gz QEGOQDKIDZEJQE-GMTAPVOTSA-N 1 1 324.385 -1.638 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](CO)NC(=O)c1ncn(C)n1 ZINC001427823616 927681448 /nfs/dbraw/zinc/68/14/48/927681448.db2.gz ILEWEHJIIBFDCD-SNVBAGLBSA-N 1 1 321.341 -1.773 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)Cn2ccnc2)C1 ZINC001427821960 927682219 /nfs/dbraw/zinc/68/22/19/927682219.db2.gz GDRMSESJGXCRKF-NWDGAFQWSA-N 1 1 309.370 -1.572 20 0 DAADMO Cn1ncc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001427823113 927682449 /nfs/dbraw/zinc/68/24/49/927682449.db2.gz ICSDWDFRRWWLML-NXEZZACHSA-N 1 1 310.358 -2.026 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ncn(C)n1 ZINC001427823615 927682668 /nfs/dbraw/zinc/68/26/68/927682668.db2.gz ILEWEHJIIBFDCD-JTQLQIEISA-N 1 1 321.341 -1.773 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1ccnnc1 ZINC001427828968 927684186 /nfs/dbraw/zinc/68/41/86/927684186.db2.gz OUTQFCWDCRTKPB-LBPRGKRZSA-N 1 1 318.337 -1.111 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CCn2cccn2)C1 ZINC001427829004 927684650 /nfs/dbraw/zinc/68/46/50/927684650.db2.gz PBZCXNMXACLVOQ-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO Cn1cncc1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001427834531 927685964 /nfs/dbraw/zinc/68/59/64/927685964.db2.gz XOUGGEGNYQOPRM-NEPJUHHUSA-N 1 1 323.397 -1.492 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427834984 927686038 /nfs/dbraw/zinc/68/60/38/927686038.db2.gz YFUUOYPFVOCTPE-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835191 927686951 /nfs/dbraw/zinc/68/69/51/927686951.db2.gz YOGFRPGSMDMIBV-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CN2CCCC2)C1 ZINC001427835191 927686961 /nfs/dbraw/zinc/68/69/61/927686961.db2.gz YOGFRPGSMDMIBV-QWHCGFSZSA-N 1 1 312.414 -1.373 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427835340 927687354 /nfs/dbraw/zinc/68/73/54/927687354.db2.gz ZIODPXYQLNRRMU-VXGBXAGGSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nnccc1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001427835332 927687405 /nfs/dbraw/zinc/68/74/05/927687405.db2.gz ZIODPXYQLNRRMU-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nnccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001427835328 927687725 /nfs/dbraw/zinc/68/77/25/927687725.db2.gz ZIODPXYQLNRRMU-NEPJUHHUSA-N 1 1 321.381 -1.056 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC001427848511 927689680 /nfs/dbraw/zinc/68/96/80/927689680.db2.gz GZBAUBYNZKXISP-JTQLQIEISA-N 1 1 313.358 -1.075 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001427855429 927692140 /nfs/dbraw/zinc/69/21/40/927692140.db2.gz HQXCPQWSMGAJDA-ZYHUDNBSSA-N 1 1 316.402 -1.556 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001427855420 927692590 /nfs/dbraw/zinc/69/25/90/927692590.db2.gz HQXCPQWSMGAJDA-CMPLNLGQSA-N 1 1 316.402 -1.556 20 0 DAADMO C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)c2cnn[nH]2)CCC1 ZINC001427875775 927696573 /nfs/dbraw/zinc/69/65/73/927696573.db2.gz UQSJLYVZMJYVPL-SECBINFHSA-N 1 1 310.358 -1.504 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001427873087 927696890 /nfs/dbraw/zinc/69/68/90/927696890.db2.gz DYPJUNBCRKOPSL-NMKXLXIOSA-N 1 1 322.365 -1.323 20 0 DAADMO CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cnn[nH]1)[NH+]1CCCC1 ZINC001427872824 927697578 /nfs/dbraw/zinc/69/75/78/927697578.db2.gz OLYBLDXMXILXTD-SNVBAGLBSA-N 1 1 324.385 -1.114 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001427890160 927699985 /nfs/dbraw/zinc/69/99/85/927699985.db2.gz LBXQSIILZDNZEG-GFCCVEGCSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CNC(=O)c2csnn2)C1 ZINC001427892143 927702215 /nfs/dbraw/zinc/70/22/15/927702215.db2.gz DVPUJHUSUGAMFQ-IUCAKERBSA-N 1 1 313.383 -1.303 20 0 DAADMO Cn1cc(CC(=O)N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001427915320 927707803 /nfs/dbraw/zinc/70/78/03/927707803.db2.gz CEFWTCFODAMTFH-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO Cc1nccn1CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001427925320 927708558 /nfs/dbraw/zinc/70/85/58/927708558.db2.gz NJUKDJDOBGBCHE-CHWSQXEVSA-N 1 1 323.397 -1.121 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)c2cnon2)C1 ZINC001427927186 927711329 /nfs/dbraw/zinc/71/13/29/927711329.db2.gz WBCPLFMBOIYLEN-NXEZZACHSA-N 1 1 311.342 -1.382 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001427926529 927711549 /nfs/dbraw/zinc/71/15/49/927711549.db2.gz PKNJKSJNEVNXQA-NWDGAFQWSA-N 1 1 314.386 -1.848 20 0 DAADMO CN1CC(C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)=NC1=O ZINC001427948192 927718199 /nfs/dbraw/zinc/71/81/99/927718199.db2.gz MSBKDFAWSUEFBH-VIFPVBQESA-N 1 1 313.358 -1.716 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]n1 ZINC001427956089 927720105 /nfs/dbraw/zinc/72/01/05/927720105.db2.gz CMEUFQQORVFSSI-ZJUUUORDSA-N 1 1 310.358 -1.965 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001427958535 927720988 /nfs/dbraw/zinc/72/09/88/927720988.db2.gz DBLLFTASSLETNB-CIQGVGRVSA-N 1 1 313.398 -1.186 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001427965649 927721601 /nfs/dbraw/zinc/72/16/01/927721601.db2.gz IZCSBZQUXDOTRY-MWLCHTKSSA-N 1 1 324.385 -1.338 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)[C@H]1C ZINC001427994467 927727527 /nfs/dbraw/zinc/72/75/27/927727527.db2.gz GYXFYAOXNMULJX-KOLCDFICSA-N 1 1 322.369 -1.035 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001428104237 927734391 /nfs/dbraw/zinc/73/43/91/927734391.db2.gz CPCYINNMLINORY-ONGXEEELSA-N 1 1 322.369 -1.035 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(F)F ZINC001428139241 927736391 /nfs/dbraw/zinc/73/63/91/927736391.db2.gz IRZLRSMVUATCJU-BDAKNGLRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(F)F ZINC001428139241 927736395 /nfs/dbraw/zinc/73/63/95/927736395.db2.gz IRZLRSMVUATCJU-BDAKNGLRSA-N 1 1 309.313 -1.482 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001428133324 927737134 /nfs/dbraw/zinc/73/71/34/927737134.db2.gz FTLLURFAPBEZGF-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CCOCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428160266 927743374 /nfs/dbraw/zinc/74/33/74/927743374.db2.gz RKWFNMMNBCXGAU-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccnn1C ZINC001428168836 927745675 /nfs/dbraw/zinc/74/56/75/927745675.db2.gz GDXIYWNSADQLAU-NEPJUHHUSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1ccnn1C ZINC001428168839 927745800 /nfs/dbraw/zinc/74/58/00/927745800.db2.gz GDXIYWNSADQLAU-NWDGAFQWSA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)c1cnnn1C ZINC001428179175 927746514 /nfs/dbraw/zinc/74/65/14/927746514.db2.gz KWGVZIYOIVCZJH-QWRGUYRKSA-N 1 1 324.385 -1.542 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(F)F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428179365 927746763 /nfs/dbraw/zinc/74/67/63/927746763.db2.gz WOPYNZBZKIAWNP-BDAKNGLRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@H](O)CNC(=O)C(F)F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428179365 927746775 /nfs/dbraw/zinc/74/67/75/927746775.db2.gz WOPYNZBZKIAWNP-BDAKNGLRSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(F)F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428179369 927747049 /nfs/dbraw/zinc/74/70/49/927747049.db2.gz WOPYNZBZKIAWNP-DTWKUNHWSA-N 1 1 309.313 -1.482 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C(F)F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428179369 927747053 /nfs/dbraw/zinc/74/70/53/927747053.db2.gz WOPYNZBZKIAWNP-DTWKUNHWSA-N 1 1 309.313 -1.482 20 0 DAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)N[C@@H]1COC(=O)C1 ZINC001428174153 927747979 /nfs/dbraw/zinc/74/79/79/927747979.db2.gz YTACRIGFWJCBRC-COPLHBTASA-N 1 1 313.354 -1.173 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nc[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001428187553 927749068 /nfs/dbraw/zinc/74/90/68/927749068.db2.gz SATKBCVESWBGFJ-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001428187553 927749078 /nfs/dbraw/zinc/74/90/78/927749078.db2.gz SATKBCVESWBGFJ-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@@H](O)CNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001428187553 927749087 /nfs/dbraw/zinc/74/90/87/927749087.db2.gz SATKBCVESWBGFJ-QWRGUYRKSA-N 1 1 324.385 -1.623 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1nccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428194015 927751158 /nfs/dbraw/zinc/75/11/58/927751158.db2.gz BWXVJRQIVMYAFN-NWDGAFQWSA-N 1 1 324.385 -1.835 20 0 DAADMO CN(C[C@H](O)CNC(=O)Cn1cccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428206109 927753506 /nfs/dbraw/zinc/75/35/06/927753506.db2.gz SDPJJOMKXAWFCI-CHWSQXEVSA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nnc[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218184 927758151 /nfs/dbraw/zinc/75/81/51/927758151.db2.gz WONNVWZYEFSRFC-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[N@H+](C)C1CCC1 ZINC001428218184 927758159 /nfs/dbraw/zinc/75/81/59/927758159.db2.gz WONNVWZYEFSRFC-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1ncn[nH]1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218184 927758169 /nfs/dbraw/zinc/75/81/69/927758169.db2.gz WONNVWZYEFSRFC-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[N@H+](C)C1CCC1 ZINC001428218184 927758181 /nfs/dbraw/zinc/75/81/81/927758181.db2.gz WONNVWZYEFSRFC-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1nc[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001428218184 927758188 /nfs/dbraw/zinc/75/81/88/927758188.db2.gz WONNVWZYEFSRFC-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1ccnc1 ZINC001428226606 927760835 /nfs/dbraw/zinc/76/08/35/927760835.db2.gz UMPBIBOFMBEMCD-STQMWFEESA-N 1 1 323.397 -1.230 20 0 DAADMO CN(C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)c1nc[nH]n1 ZINC001428227993 927761306 /nfs/dbraw/zinc/76/13/06/927761306.db2.gz FPBZVHOXNHJJDR-NSHDSACASA-N 1 1 324.385 -1.162 20 0 DAADMO CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)Cc1ncn[nH]1 ZINC001428274223 927771485 /nfs/dbraw/zinc/77/14/85/927771485.db2.gz RJWVFJJCMBJQEK-JTQLQIEISA-N 1 1 312.374 -1.766 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N[C@@H]1COCC[C@H]1O ZINC001428320132 927772865 /nfs/dbraw/zinc/77/28/65/927772865.db2.gz YUEFDSWQDTXXFN-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N[C@@H]1COCC[C@H]1O ZINC001428320132 927772869 /nfs/dbraw/zinc/77/28/69/927772869.db2.gz YUEFDSWQDTXXFN-VXGBXAGGSA-N 1 1 315.370 -1.116 20 0 DAADMO COCCN(CCNC(=O)c1cn[nH]n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428413961 927778422 /nfs/dbraw/zinc/77/84/22/927778422.db2.gz WGROMFUXBZXAJZ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428413961 927778429 /nfs/dbraw/zinc/77/84/29/927778429.db2.gz WGROMFUXBZXAJZ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO COCCN(CCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428413961 927778441 /nfs/dbraw/zinc/77/84/41/927778441.db2.gz WGROMFUXBZXAJZ-LLVKDONJSA-N 1 1 324.385 -1.039 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428504207 927782880 /nfs/dbraw/zinc/78/28/80/927782880.db2.gz JYDUMCINGFDKPC-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO C[C@H](CNC(=O)c1ccc(=O)[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428504207 927782890 /nfs/dbraw/zinc/78/28/90/927782890.db2.gz JYDUMCINGFDKPC-KOLCDFICSA-N 1 1 323.353 -1.253 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428489809 927783460 /nfs/dbraw/zinc/78/34/60/927783460.db2.gz AJAPBQAIGQRBBQ-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428489809 927783449 /nfs/dbraw/zinc/78/34/49/927783449.db2.gz AJAPBQAIGQRBBQ-KOLCDFICSA-N 1 1 300.359 -1.926 20 0 DAADMO C[C@@H](CNC(=O)c1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001428697549 927798015 /nfs/dbraw/zinc/79/80/15/927798015.db2.gz SJIAPEFEGOJYHH-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001428697549 927798025 /nfs/dbraw/zinc/79/80/25/927798025.db2.gz SJIAPEFEGOJYHH-JQWIXIFHSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001428719338 927798080 /nfs/dbraw/zinc/79/80/80/927798080.db2.gz UBRPDMRINUCCNG-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001428719338 927798090 /nfs/dbraw/zinc/79/80/90/927798090.db2.gz UBRPDMRINUCCNG-GXSJLCMTSA-N 1 1 310.358 -1.620 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001428743923 927799236 /nfs/dbraw/zinc/79/92/36/927799236.db2.gz CELLRCGBTMEDHN-GXSJLCMTSA-N 1 1 322.369 -1.164 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001428799308 927808523 /nfs/dbraw/zinc/80/85/23/927808523.db2.gz YRYYVPXHYYAKGX-GHMZBOCLSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H](O)C1 ZINC001428905007 927822928 /nfs/dbraw/zinc/82/29/28/927822928.db2.gz HFUJOCFSPSLLMR-OLZOCXBDSA-N 1 1 323.397 -1.020 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001428919223 927827000 /nfs/dbraw/zinc/82/70/00/927827000.db2.gz PREJWLCUGQXRTJ-OLZOCXBDSA-N 1 1 312.414 -1.278 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1O ZINC001428929336 927827789 /nfs/dbraw/zinc/82/77/89/927827789.db2.gz IMEBIGBZARJVAQ-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O ZINC001428929336 927827794 /nfs/dbraw/zinc/82/77/94/927827794.db2.gz IMEBIGBZARJVAQ-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1O ZINC001428929336 927827805 /nfs/dbraw/zinc/82/78/05/927827805.db2.gz IMEBIGBZARJVAQ-MNOVXSKESA-N 1 1 324.385 -1.244 20 0 DAADMO CN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001428939845 927830126 /nfs/dbraw/zinc/83/01/26/927830126.db2.gz KROXRYZPZFKCMO-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cnnn1 ZINC001428996827 927833846 /nfs/dbraw/zinc/83/38/46/927833846.db2.gz TVPSEVRHLCDCBX-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnnn1C ZINC001429205774 927846178 /nfs/dbraw/zinc/84/61/78/927846178.db2.gz YYCSXWXFZCKZJJ-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnnn1C ZINC001429205774 927846195 /nfs/dbraw/zinc/84/61/95/927846195.db2.gz YYCSXWXFZCKZJJ-NSHDSACASA-N 1 1 310.358 -1.666 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cncn1C ZINC001429201849 927846762 /nfs/dbraw/zinc/84/67/62/927846762.db2.gz KXIOFAHQYYWVGW-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cncn1C ZINC001429201849 927846775 /nfs/dbraw/zinc/84/67/75/927846775.db2.gz KXIOFAHQYYWVGW-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)c1cnnn1C)C(=O)CC[NH+]1CCOCC1 ZINC001429232507 927847728 /nfs/dbraw/zinc/84/77/28/927847728.db2.gz AGLUPPFDFIMOLK-UHFFFAOYSA-N 1 1 324.385 -1.274 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001429284028 927855387 /nfs/dbraw/zinc/85/53/87/927855387.db2.gz UVBZSGXMYXWPRD-JQWIXIFHSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001429284031 927855604 /nfs/dbraw/zinc/85/56/04/927855604.db2.gz UVBZSGXMYXWPRD-PWSUYJOCSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001429276364 927856002 /nfs/dbraw/zinc/85/60/02/927856002.db2.gz DGYBHWDPKMCZNX-STQMWFEESA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001429424238 927868201 /nfs/dbraw/zinc/86/82/01/927868201.db2.gz FZNCDZXFPRJKJL-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO COC(=O)NCC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001429464849 927873087 /nfs/dbraw/zinc/87/30/87/927873087.db2.gz JTLBLPVPMNFPEE-NSHDSACASA-N 1 1 312.370 -1.035 20 0 DAADMO COC[C@H](OC)C(=O)NCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001429472331 927875294 /nfs/dbraw/zinc/87/52/94/927875294.db2.gz AWPUTEKDCSRMNO-NEPJUHHUSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@H](OC)C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001429472331 927875307 /nfs/dbraw/zinc/87/53/07/927875307.db2.gz AWPUTEKDCSRMNO-NEPJUHHUSA-N 1 1 317.386 -1.447 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)CCNC(N)=O)CC1 ZINC001429474968 927875663 /nfs/dbraw/zinc/87/56/63/927875663.db2.gz QDHZCLUTNVDHEC-UHFFFAOYSA-N 1 1 322.369 -1.079 20 0 DAADMO COC[C@@H](OC)C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001429472338 927876711 /nfs/dbraw/zinc/87/67/11/927876711.db2.gz AWPUTEKDCSRMNO-NWDGAFQWSA-N 1 1 317.386 -1.447 20 0 DAADMO COC[C@@H](OC)C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001429472338 927876723 /nfs/dbraw/zinc/87/67/23/927876723.db2.gz AWPUTEKDCSRMNO-NWDGAFQWSA-N 1 1 317.386 -1.447 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001429517857 927880042 /nfs/dbraw/zinc/88/00/42/927880042.db2.gz PLHJTXGWKBIJHY-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)CNC(N)=O)C2)C1 ZINC001429517857 927880053 /nfs/dbraw/zinc/88/00/53/927880053.db2.gz PLHJTXGWKBIJHY-NXEZZACHSA-N 1 1 313.358 -2.298 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001429515884 927880439 /nfs/dbraw/zinc/88/04/39/927880439.db2.gz MDGSAKBUQHIGFF-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001429779092 927894893 /nfs/dbraw/zinc/89/48/93/927894893.db2.gz NBUFMRGBQKRSSM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CCC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001429779092 927894902 /nfs/dbraw/zinc/89/49/02/927894902.db2.gz NBUFMRGBQKRSSM-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001429841094 927900059 /nfs/dbraw/zinc/90/00/59/927900059.db2.gz KWXXKXQPGMQZDC-NSHDSACASA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001429873403 927901532 /nfs/dbraw/zinc/90/15/32/927901532.db2.gz IOPBGQKDFDTQKA-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CCn3cnnn3)C2)C1 ZINC001429869295 927903046 /nfs/dbraw/zinc/90/30/46/927903046.db2.gz QZOKORRHHKAOFG-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001430096527 927911645 /nfs/dbraw/zinc/91/16/45/927911645.db2.gz IKVHAVUGQAMVJB-JTQLQIEISA-N 1 1 308.342 -1.423 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CNC(C)=O)C2)C1 ZINC001430138372 927912864 /nfs/dbraw/zinc/91/28/64/927912864.db2.gz MVBLRUFQEDCOPU-LBPRGKRZSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)CNC(C)=O)C2)C1 ZINC001430138372 927912876 /nfs/dbraw/zinc/91/28/76/927912876.db2.gz MVBLRUFQEDCOPU-LBPRGKRZSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001430156626 927915281 /nfs/dbraw/zinc/91/52/81/927915281.db2.gz UFOVYKAHWAHMHD-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)CCn3cncn3)C2)C1 ZINC001430156626 927915293 /nfs/dbraw/zinc/91/52/93/927915293.db2.gz UFOVYKAHWAHMHD-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)COCC(F)F)C2)C1 ZINC001430169399 927919656 /nfs/dbraw/zinc/91/96/56/927919656.db2.gz OUTDSYYXDATQAB-JTQLQIEISA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)COCC(F)F)C2)C1 ZINC001430169399 927919665 /nfs/dbraw/zinc/91/96/65/927919665.db2.gz OUTDSYYXDATQAB-JTQLQIEISA-N 1 1 321.324 -1.074 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CCNC(N)=O)C2)C1 ZINC001430190445 927923567 /nfs/dbraw/zinc/92/35/67/927923567.db2.gz WGWJRPSFMJPSBL-SNVBAGLBSA-N 1 1 311.386 -1.286 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001430242395 927929908 /nfs/dbraw/zinc/92/99/08/927929908.db2.gz DRVSIIRQKPYHGN-VIFPVBQESA-N 1 1 308.342 -1.425 20 0 DAADMO C[N@@H+](CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)C1CCC1 ZINC001430232740 927929973 /nfs/dbraw/zinc/92/99/73/927929973.db2.gz XZJQHRPYMNIJFI-NEPJUHHUSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001430264166 927931595 /nfs/dbraw/zinc/93/15/95/927931595.db2.gz SGGSFFUTNSGGFH-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001430264166 927931598 /nfs/dbraw/zinc/93/15/98/927931598.db2.gz SGGSFFUTNSGGFH-GXSJLCMTSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001430270338 927931636 /nfs/dbraw/zinc/93/16/36/927931636.db2.gz JHIZPOXVZDWHSR-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCNC(N)=O)C[C@H]21 ZINC001430335057 927939589 /nfs/dbraw/zinc/93/95/89/927939589.db2.gz JQIFSGXBTBGDSW-SRRSOLGSSA-N 1 1 323.397 -1.288 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)CS(C)(=O)=O)C2)C1 ZINC001430352562 927940560 /nfs/dbraw/zinc/94/05/60/927940560.db2.gz WKXYZBSVVNTKHT-LLVKDONJSA-N 1 1 317.411 -1.443 20 0 DAADMO C[N@@H+](CC(=O)NCC1CN(C(=O)Cn2ncnn2)C1)C1CCC1 ZINC001430382892 927946308 /nfs/dbraw/zinc/94/63/08/927946308.db2.gz JLHZKLAHEJWCDF-UHFFFAOYSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001430428471 927948534 /nfs/dbraw/zinc/94/85/34/927948534.db2.gz NUXUPQWCPXGYOR-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)Cn2ncnn2)C1 ZINC001430417825 927948879 /nfs/dbraw/zinc/94/88/79/927948879.db2.gz KIWGTPPUQFFHTC-UHFFFAOYSA-N 1 1 323.401 -1.020 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001430447562 927953175 /nfs/dbraw/zinc/95/31/75/927953175.db2.gz SKUYTUUVVKXFSF-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cc3c[nH]cn3)C2)C1 ZINC001430447562 927953181 /nfs/dbraw/zinc/95/31/81/927953181.db2.gz SKUYTUUVVKXFSF-CYBMUJFWSA-N 1 1 321.381 -1.143 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430480253 927955573 /nfs/dbraw/zinc/95/55/73/927955573.db2.gz JVUWNAPEVBNOGN-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430480253 927955578 /nfs/dbraw/zinc/95/55/78/927955578.db2.gz JVUWNAPEVBNOGN-CMPLNLGQSA-N 1 1 309.370 -1.015 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001430478361 927955619 /nfs/dbraw/zinc/95/56/19/927955619.db2.gz AVPDGWFESOZPMA-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001430478361 927955632 /nfs/dbraw/zinc/95/56/32/927955632.db2.gz AVPDGWFESOZPMA-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001430481064 927956020 /nfs/dbraw/zinc/95/60/20/927956020.db2.gz IYGSTMKEVYUSMJ-NXEZZACHSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)Cc1nc[nH]n1 ZINC001430481064 927956033 /nfs/dbraw/zinc/95/60/33/927956033.db2.gz IYGSTMKEVYUSMJ-NXEZZACHSA-N 1 1 310.358 -1.701 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001430486971 927957871 /nfs/dbraw/zinc/95/78/71/927957871.db2.gz WYQHLZJUQBHOMG-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)CCCC(N)=O ZINC001430486971 927957881 /nfs/dbraw/zinc/95/78/81/927957881.db2.gz WYQHLZJUQBHOMG-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001430521884 927960565 /nfs/dbraw/zinc/96/05/65/927960565.db2.gz ZQXKPYRKEZZCCP-PSASIEDQSA-N 1 1 309.326 -1.079 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430537758 927962042 /nfs/dbraw/zinc/96/20/42/927962042.db2.gz LLZOLGSBDHWIMP-QWRGUYRKSA-N 1 1 319.427 -1.006 20 0 DAADMO CC[C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430537743 927962286 /nfs/dbraw/zinc/96/22/86/927962286.db2.gz LLZOLGSBDHWIMP-MNOVXSKESA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cn1cnnn1 ZINC001430579205 927966322 /nfs/dbraw/zinc/96/63/22/927966322.db2.gz RIXSYKDMULSNQM-GMTAPVOTSA-N 1 1 309.374 -1.366 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)NC(=O)Cn1cnnn1 ZINC001430587259 927967215 /nfs/dbraw/zinc/96/72/15/927967215.db2.gz LZPHANABKDDZEC-NSHDSACASA-N 1 1 320.357 -1.111 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001430859429 927982822 /nfs/dbraw/zinc/98/28/22/927982822.db2.gz LNMIOLXGOUZPSC-LBPRGKRZSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)C2)C1 ZINC001430858273 927983817 /nfs/dbraw/zinc/98/38/17/927983817.db2.gz IOIBUBXKRLDGEX-QWRGUYRKSA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@@H](CNC(=O)c1nnn(C)n1)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001430981183 927988329 /nfs/dbraw/zinc/98/83/29/927988329.db2.gz CXVMZNYRDLEUSN-NXEZZACHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](CNC(=O)CCn1cnnn1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431018720 927992221 /nfs/dbraw/zinc/99/22/21/927992221.db2.gz AZMDSWGGEXYOHK-NEPJUHHUSA-N 1 1 323.401 -1.117 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CS(C)(=O)=O)C1 ZINC001431154082 927999454 /nfs/dbraw/zinc/99/94/54/927999454.db2.gz ZGOFNSREKBYHLQ-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CS(C)(=O)=O)C1 ZINC001431154082 927999463 /nfs/dbraw/zinc/99/94/63/927999463.db2.gz ZGOFNSREKBYHLQ-LLVKDONJSA-N 1 1 319.427 -1.053 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cnn(C)c1N ZINC001431183952 928000865 /nfs/dbraw/zinc/00/08/65/928000865.db2.gz IYWGQOJSOCKSRQ-LLVKDONJSA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cnn(C)c1N ZINC001431183952 928000876 /nfs/dbraw/zinc/00/08/76/928000876.db2.gz IYWGQOJSOCKSRQ-LLVKDONJSA-N 1 1 324.385 -1.479 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cc[nH]n1 ZINC001431189485 928004131 /nfs/dbraw/zinc/00/41/31/928004131.db2.gz UZRKNVBXKFESTL-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cc[nH]n1 ZINC001431189485 928004144 /nfs/dbraw/zinc/00/41/44/928004144.db2.gz UZRKNVBXKFESTL-GFCCVEGCSA-N 1 1 309.370 -1.143 20 0 DAADMO Cc1nnc(CC(=O)NCCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001431230018 928005402 /nfs/dbraw/zinc/00/54/02/928005402.db2.gz LFYFTBIVUBLTAY-LLVKDONJSA-N 1 1 324.385 -1.439 20 0 DAADMO Cc1nnc(CC(=O)NCCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001431230018 928005412 /nfs/dbraw/zinc/00/54/12/928005412.db2.gz LFYFTBIVUBLTAY-LLVKDONJSA-N 1 1 324.385 -1.439 20 0 DAADMO CC(C)[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431238538 928007088 /nfs/dbraw/zinc/00/70/88/928007088.db2.gz AADLPDBILLBFOH-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001431259715 928007621 /nfs/dbraw/zinc/00/76/21/928007621.db2.gz WYNNLYPHMBOSBI-VIFPVBQESA-N 1 1 310.358 -1.177 20 0 DAADMO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CCS(C)(=O)=O ZINC001431264202 928008109 /nfs/dbraw/zinc/00/81/09/928008109.db2.gz OWNYTNKPJHDFTJ-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO CN(CCNC(=O)Cn1ncn(C)c1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431341261 928014152 /nfs/dbraw/zinc/01/41/52/928014152.db2.gz CJNPQBSTUKITIW-NSHDSACASA-N 1 1 324.385 -1.892 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001431404947 928017003 /nfs/dbraw/zinc/01/70/03/928017003.db2.gz YKLILHZUMWLYNQ-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001431486246 928031719 /nfs/dbraw/zinc/03/17/19/928031719.db2.gz HYHNCMKHMAZDCB-STQMWFEESA-N 1 1 323.397 -1.039 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001431490267 928034768 /nfs/dbraw/zinc/03/47/68/928034768.db2.gz QMYJQAOJGWVMHF-GFCCVEGCSA-N 1 1 311.386 -1.183 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001431494109 928037552 /nfs/dbraw/zinc/03/75/52/928037552.db2.gz CTUFXRZKQSJVPJ-VXGBXAGGSA-N 1 1 307.354 -1.222 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CCn2cccn2)C1 ZINC001431507823 928043463 /nfs/dbraw/zinc/04/34/63/928043463.db2.gz NBEPIDQORCRVST-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509201 928046222 /nfs/dbraw/zinc/04/62/22/928046222.db2.gz OTGRKRUUSUHFMM-WDEREUQCSA-N 1 1 317.361 -1.340 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)C2(CF)CC2)C1 ZINC001431509201 928046235 /nfs/dbraw/zinc/04/62/35/928046235.db2.gz OTGRKRUUSUHFMM-WDEREUQCSA-N 1 1 317.361 -1.340 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001431526942 928048297 /nfs/dbraw/zinc/04/82/97/928048297.db2.gz BNKRXEAYRMCYCF-WCQYABFASA-N 1 1 303.403 -1.063 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncccc2O)C1 ZINC001431528161 928049230 /nfs/dbraw/zinc/04/92/30/928049230.db2.gz GTPJSSHPLHOJPJ-WDEREUQCSA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001431534248 928051565 /nfs/dbraw/zinc/05/15/65/928051565.db2.gz CQDGGJONTQAJPM-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534248 928051573 /nfs/dbraw/zinc/05/15/73/928051573.db2.gz CQDGGJONTQAJPM-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001431534248 928051587 /nfs/dbraw/zinc/05/15/87/928051587.db2.gz CQDGGJONTQAJPM-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534248 928051600 /nfs/dbraw/zinc/05/16/00/928051600.db2.gz CQDGGJONTQAJPM-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001431534248 928051612 /nfs/dbraw/zinc/05/16/12/928051612.db2.gz CQDGGJONTQAJPM-GHMZBOCLSA-N 1 1 324.385 -1.116 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001431537436 928054080 /nfs/dbraw/zinc/05/40/80/928054080.db2.gz VHAWKWSOPDVLFA-MNOVXSKESA-N 1 1 307.354 -1.112 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001431540727 928054753 /nfs/dbraw/zinc/05/47/53/928054753.db2.gz GYFBUIYQIQBHFJ-SNVBAGLBSA-N 1 1 322.329 -2.528 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431547068 928056495 /nfs/dbraw/zinc/05/64/95/928056495.db2.gz MVBUFOBJECDWLG-MNOVXSKESA-N 1 1 310.358 -2.177 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431545423 928057945 /nfs/dbraw/zinc/05/79/45/928057945.db2.gz CTQMHRXUHMNQPN-VXGBXAGGSA-N 1 1 324.385 -1.787 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001431542861 928058798 /nfs/dbraw/zinc/05/87/98/928058798.db2.gz KLUULNBCPMYJIA-JTQLQIEISA-N 1 1 322.325 -1.210 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)Cn2cncn2)C1 ZINC001431547069 928059753 /nfs/dbraw/zinc/05/97/53/928059753.db2.gz MVBUFOBJECDWLG-QWRGUYRKSA-N 1 1 310.358 -2.177 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)c2cncn2C)CC[N@H+]1C ZINC001431549410 928060252 /nfs/dbraw/zinc/06/02/52/928060252.db2.gz RJIHQLVWDXZROT-GRYCIOLGSA-N 1 1 323.397 -1.033 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2n[nH]cc2F)C1 ZINC001431551529 928060593 /nfs/dbraw/zinc/06/05/93/928060593.db2.gz QXAPUJSBWQAZNR-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551529 928060604 /nfs/dbraw/zinc/06/06/04/928060604.db2.gz QXAPUJSBWQAZNR-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c2[nH]ncc2F)C1 ZINC001431551529 928060616 /nfs/dbraw/zinc/06/06/16/928060616.db2.gz QXAPUJSBWQAZNR-DTWKUNHWSA-N 1 1 313.333 -1.293 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001431547108 928061315 /nfs/dbraw/zinc/06/13/15/928061315.db2.gz LVLHPCLPNOQLIK-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547108 928061327 /nfs/dbraw/zinc/06/13/27/928061327.db2.gz LVLHPCLPNOQLIK-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnn[nH]1 ZINC001431547108 928061336 /nfs/dbraw/zinc/06/13/36/928061336.db2.gz LVLHPCLPNOQLIK-JQWIXIFHSA-N 1 1 324.385 -1.114 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001431569752 928066543 /nfs/dbraw/zinc/06/65/43/928066543.db2.gz QCSJAYKKZOMFIO-MNOVXSKESA-N 1 1 324.385 -1.636 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431569351 928067414 /nfs/dbraw/zinc/06/74/14/928067414.db2.gz KSNAFEXFEMSNER-CHWSQXEVSA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cn2ccnc2)C1 ZINC001431569360 928067878 /nfs/dbraw/zinc/06/78/78/928067878.db2.gz KSNAFEXFEMSNER-STQMWFEESA-N 1 1 323.397 -1.182 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1 ZINC001431577933 928069698 /nfs/dbraw/zinc/06/96/98/928069698.db2.gz ZPGXWGKJXRQDBI-VXGBXAGGSA-N 1 1 323.397 -1.113 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CNC(N)=O ZINC001431633173 928073716 /nfs/dbraw/zinc/07/37/16/928073716.db2.gz HFCVNIGVJGLWPJ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001431783070 928084622 /nfs/dbraw/zinc/08/46/22/928084622.db2.gz KCRMFBYDZZFDCO-DTWKUNHWSA-N 1 1 301.347 -2.394 20 0 DAADMO C[C@@H](CNC(=O)CNC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001431783070 928084631 /nfs/dbraw/zinc/08/46/31/928084631.db2.gz KCRMFBYDZZFDCO-DTWKUNHWSA-N 1 1 301.347 -2.394 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001431818470 928086704 /nfs/dbraw/zinc/08/67/04/928086704.db2.gz PEBYEQAVAPWGRE-VIFPVBQESA-N 1 1 306.330 -1.501 20 0 DAADMO C[C@@H](CNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001431824556 928086998 /nfs/dbraw/zinc/08/69/98/928086998.db2.gz DRHMHWIJENJFPK-HBNTYKKESA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431868464 928089557 /nfs/dbraw/zinc/08/95/57/928089557.db2.gz RHWPUSBRXRCZPL-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO CNC(=O)NCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001432183262 928111238 /nfs/dbraw/zinc/11/12/38/928111238.db2.gz MZKFPDNQQDQXQT-UHFFFAOYSA-N 1 1 322.369 -1.114 20 0 DAADMO CNC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001432200106 928112844 /nfs/dbraw/zinc/11/28/44/928112844.db2.gz GCKPYIDNWUNHAZ-SNVBAGLBSA-N 1 1 311.386 -1.368 20 0 DAADMO CNC(=O)NCC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001432200105 928113582 /nfs/dbraw/zinc/11/35/82/928113582.db2.gz GCKPYIDNWUNHAZ-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001432299669 928127832 /nfs/dbraw/zinc/12/78/32/928127832.db2.gz SAEWWZUSBUYZFT-JTQLQIEISA-N 1 1 311.386 -1.225 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001432299673 928128994 /nfs/dbraw/zinc/12/89/94/928128994.db2.gz SAEWWZUSBUYZFT-SNVBAGLBSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001432314752 928131176 /nfs/dbraw/zinc/13/11/76/928131176.db2.gz DJUQOAZUJRBEQB-VWYCJHECSA-N 1 1 308.382 -1.033 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001432313069 928131526 /nfs/dbraw/zinc/13/15/26/928131526.db2.gz GPUNTGUFRPVJPL-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432372140 928139213 /nfs/dbraw/zinc/13/92/13/928139213.db2.gz GKLVYIYPXZCSHM-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)Cn3cnnn3)C2)C1 ZINC001432372140 928139218 /nfs/dbraw/zinc/13/92/18/928139218.db2.gz GKLVYIYPXZCSHM-LLVKDONJSA-N 1 1 323.357 -2.422 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)C2(NC(N)=O)CC2)C1 ZINC001432392216 928142541 /nfs/dbraw/zinc/14/25/41/928142541.db2.gz HKROOSZDXDMMMV-JTQLQIEISA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001432471088 928151101 /nfs/dbraw/zinc/15/11/01/928151101.db2.gz OHQJALVMCSKARA-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001432471082 928151563 /nfs/dbraw/zinc/15/15/63/928151563.db2.gz OHQJALVMCSKARA-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)Cn3ncnn3)C2)C1 ZINC001432484475 928154115 /nfs/dbraw/zinc/15/41/15/928154115.db2.gz XIJIKQLDRHDZTI-NSHDSACASA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783704 928166251 /nfs/dbraw/zinc/16/62/51/928166251.db2.gz BFDKFGLCHFACFC-NOZJJQNGSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C(F)F)C2)C1 ZINC001432783704 928166262 /nfs/dbraw/zinc/16/62/62/928166262.db2.gz BFDKFGLCHFACFC-NOZJJQNGSA-N 1 1 321.324 -1.338 20 0 DAADMO C[C@@H](CNC(=O)CS(C)(=O)=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432958552 928173147 /nfs/dbraw/zinc/17/31/47/928173147.db2.gz UYMAMPVNNTZRHW-WDEREUQCSA-N 1 1 319.427 -1.149 20 0 DAADMO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC001433173329 928180781 /nfs/dbraw/zinc/18/07/81/928180781.db2.gz XQLKNSRJBXZEAV-SNVBAGLBSA-N 1 1 309.374 -1.308 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC[C@@H](O)CNC(=O)C1CC1 ZINC001433212718 928183110 /nfs/dbraw/zinc/18/31/10/928183110.db2.gz OYLLPOOZSZMHAA-STQMWFEESA-N 1 1 323.397 -1.183 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230648 928184596 /nfs/dbraw/zinc/18/45/96/928184596.db2.gz CCPAXGYLVCJNET-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2cnccn2)C1 ZINC001433230648 928184610 /nfs/dbraw/zinc/18/46/10/928184610.db2.gz CCPAXGYLVCJNET-PWSUYJOCSA-N 1 1 323.353 -1.986 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001433237981 928190856 /nfs/dbraw/zinc/19/08/56/928190856.db2.gz IYXILSCPYQNONU-RYUDHWBXSA-N 1 1 321.381 -1.056 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccon2)C1 ZINC001433255442 928196710 /nfs/dbraw/zinc/19/67/10/928196710.db2.gz NMQBGXJBRSIXBO-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccon2)C1 ZINC001433255442 928196719 /nfs/dbraw/zinc/19/67/19/928196719.db2.gz NMQBGXJBRSIXBO-KOLCDFICSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccon2)C1 ZINC001433255451 928196857 /nfs/dbraw/zinc/19/68/57/928196857.db2.gz NMQBGXJBRSIXBO-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNC(=O)c2ccon2)C1 ZINC001433255451 928196869 /nfs/dbraw/zinc/19/68/69/928196869.db2.gz NMQBGXJBRSIXBO-MWLCHTKSSA-N 1 1 312.326 -1.788 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CN1CCCC1 ZINC001433258977 928198346 /nfs/dbraw/zinc/19/83/46/928198346.db2.gz FJWVETPYORDEDV-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)CN1CCCC1 ZINC001433258977 928198357 /nfs/dbraw/zinc/19/83/57/928198357.db2.gz FJWVETPYORDEDV-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001433258363 928199098 /nfs/dbraw/zinc/19/90/98/928199098.db2.gz MUIUFLATRROJBR-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001433258363 928199101 /nfs/dbraw/zinc/19/91/01/928199101.db2.gz MUIUFLATRROJBR-NEPJUHHUSA-N 1 1 324.381 -1.139 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001433258097 928199326 /nfs/dbraw/zinc/19/93/26/928199326.db2.gz DFELQEZALZSXCZ-QWRGUYRKSA-N 1 1 309.370 -1.279 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001433258376 928199517 /nfs/dbraw/zinc/19/95/17/928199517.db2.gz MUIUFLATRROJBR-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO Cc1cc[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001433258376 928199526 /nfs/dbraw/zinc/19/95/26/928199526.db2.gz MUIUFLATRROJBR-VXGBXAGGSA-N 1 1 324.381 -1.139 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2nnc[nH]2)C1 ZINC001433262028 928201300 /nfs/dbraw/zinc/20/13/00/928201300.db2.gz XWPOFFSKSOLDMN-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262028 928201310 /nfs/dbraw/zinc/20/13/10/928201310.db2.gz XWPOFFSKSOLDMN-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CCc2nc[nH]n2)C1 ZINC001433262028 928201320 /nfs/dbraw/zinc/20/13/20/928201320.db2.gz XWPOFFSKSOLDMN-WDEREUQCSA-N 1 1 324.385 -1.718 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001433260193 928201815 /nfs/dbraw/zinc/20/18/15/928201815.db2.gz RPCSWSLMEGCTAY-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001433260193 928201828 /nfs/dbraw/zinc/20/18/28/928201828.db2.gz RPCSWSLMEGCTAY-OLZOCXBDSA-N 1 1 324.381 -1.437 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001433275886 928203957 /nfs/dbraw/zinc/20/39/57/928203957.db2.gz OKPQJLAYRRYPJF-GHMZBOCLSA-N 1 1 322.365 -1.054 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001433275889 928204255 /nfs/dbraw/zinc/20/42/55/928204255.db2.gz OKPQJLAYRRYPJF-MNOVXSKESA-N 1 1 322.365 -1.054 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1cnnn1C ZINC001433278725 928205256 /nfs/dbraw/zinc/20/52/56/928205256.db2.gz JJIHBBBLORHCDW-JTQLQIEISA-N 1 1 312.374 -1.638 20 0 DAADMO Cn1nncc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001433283847 928207154 /nfs/dbraw/zinc/20/71/54/928207154.db2.gz PWSNBMASDXLFGB-WDEREUQCSA-N 1 1 324.385 -1.494 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001433291815 928210864 /nfs/dbraw/zinc/21/08/64/928210864.db2.gz BTTVFHXMXQCSPJ-NSHDSACASA-N 1 1 320.353 -1.168 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2nnc[nH]2)CC[N@H+]1C ZINC001433299650 928211333 /nfs/dbraw/zinc/21/13/33/928211333.db2.gz WPMTWWCODMYYPM-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CC[N@@H+]1C ZINC001433299650 928211343 /nfs/dbraw/zinc/21/13/43/928211343.db2.gz WPMTWWCODMYYPM-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ncn[nH]2)CC[N@H+]1C ZINC001433299650 928211357 /nfs/dbraw/zinc/21/13/57/928211357.db2.gz WPMTWWCODMYYPM-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CC[N@@H+]1C ZINC001433299650 928211364 /nfs/dbraw/zinc/21/13/64/928211364.db2.gz WPMTWWCODMYYPM-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2nc[nH]n2)CC[N@H+]1C ZINC001433299650 928211378 /nfs/dbraw/zinc/21/13/78/928211378.db2.gz WPMTWWCODMYYPM-OPRDCNLKSA-N 1 1 310.358 -1.648 20 0 DAADMO Cc1cnn(C)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001433297114 928212828 /nfs/dbraw/zinc/21/28/28/928212828.db2.gz OJJFVEPSOUXFRE-NEPJUHHUSA-N 1 1 323.397 -1.113 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001433299244 928212949 /nfs/dbraw/zinc/21/29/49/928212949.db2.gz DJHUWOKQOCBXLC-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001433311642 928214706 /nfs/dbraw/zinc/21/47/06/928214706.db2.gz UHNUHNODGKUERW-VIFPVBQESA-N 1 1 310.358 -1.647 20 0 DAADMO Cn1cncc1C(=O)NC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433313632 928215124 /nfs/dbraw/zinc/21/51/24/928215124.db2.gz CVACMSZHEUOZAB-RYUDHWBXSA-N 1 1 323.397 -1.031 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)c2cnon2)C1 ZINC001433327590 928216737 /nfs/dbraw/zinc/21/67/37/928216737.db2.gz FSDRZWVOHVTOFK-VHSXEESVSA-N 1 1 311.342 -1.382 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)CNC(=O)c2cnon2)C1 ZINC001433327587 928217227 /nfs/dbraw/zinc/21/72/27/928217227.db2.gz FSDRZWVOHVTOFK-UWVGGRQHSA-N 1 1 311.342 -1.382 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001433332752 928219224 /nfs/dbraw/zinc/21/92/24/928219224.db2.gz BUYLJXDEGKCZIF-VIFPVBQESA-N 1 1 313.362 -2.241 20 0 DAADMO Cn1ccc(C[NH+]2CCN(C(=O)Cn3ncnn3)CC2)cc1=O ZINC001433419257 928224664 /nfs/dbraw/zinc/22/46/64/928224664.db2.gz KFGHTDYUCRDTJV-UHFFFAOYSA-N 1 1 317.353 -1.284 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001433439998 928225940 /nfs/dbraw/zinc/22/59/40/928225940.db2.gz TTXDXMNUJKIVIN-SNVBAGLBSA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001433477489 928230641 /nfs/dbraw/zinc/23/06/41/928230641.db2.gz TYYQXVSBBIBPET-NXEZZACHSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001433556916 928239312 /nfs/dbraw/zinc/23/93/12/928239312.db2.gz MMBBOPSKINUEFR-HBNTYKKESA-N 1 1 313.402 -1.124 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001433595038 928242148 /nfs/dbraw/zinc/24/21/48/928242148.db2.gz HYFZULFPZSEPOJ-QMMMGPOBSA-N 1 1 306.330 -1.350 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NC(=O)c1nnn(C)n1 ZINC001433596216 928243771 /nfs/dbraw/zinc/24/37/71/928243771.db2.gz TYYQXVSBBIBPET-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@@H](CNC(=O)CN1CN=NC1=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001433618445 928248139 /nfs/dbraw/zinc/24/81/39/928248139.db2.gz BPACWEGMDNDPHE-MNOVXSKESA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC001433655611 928249143 /nfs/dbraw/zinc/24/91/43/928249143.db2.gz DRKQCDNDTJLWJA-VHSXEESVSA-N 1 1 309.374 -1.223 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]2CNC(=O)Cn2cnnn2)C1 ZINC001433687550 928253477 /nfs/dbraw/zinc/25/34/77/928253477.db2.gz SCKXXTSGYSYSRS-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)c1nnn(C)n1 ZINC001433722557 928257764 /nfs/dbraw/zinc/25/77/64/928257764.db2.gz BVWBSRHOHMLSIX-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O)C1CCC1 ZINC001433755664 928260770 /nfs/dbraw/zinc/26/07/70/928260770.db2.gz MWPDPFRWSVXASR-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H](O)CN1CCCC1=O)[C@@H]1CCC[C@H]1O ZINC001433798613 928264175 /nfs/dbraw/zinc/26/41/75/928264175.db2.gz UUVZWRWNCYPFQW-YNEHKIRRSA-N 1 1 313.398 -1.069 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CN1CCCC1=O)[C@@H]1CCC[C@H]1O ZINC001433798610 928265639 /nfs/dbraw/zinc/26/56/39/928265639.db2.gz UUVZWRWNCYPFQW-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)Cn2cnnn2)CC1 ZINC001433837484 928271612 /nfs/dbraw/zinc/27/16/12/928271612.db2.gz YYKDEZVAGZFVSH-UHFFFAOYSA-N 1 1 309.374 -1.220 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 ZINC001433889281 928275015 /nfs/dbraw/zinc/27/50/15/928275015.db2.gz DXLBRYUZAISLOG-CYBMUJFWSA-N 1 1 321.341 -1.030 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)CN3CN=NC3=O)CC2)C1 ZINC001433893634 928276199 /nfs/dbraw/zinc/27/61/99/928276199.db2.gz OHDBYLVUMFPJMG-SNVBAGLBSA-N 1 1 322.369 -1.300 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CC2)CC[N@H+]1C ZINC001433902865 928278407 /nfs/dbraw/zinc/27/84/07/928278407.db2.gz KSAKXSQBVIQZGF-GMTAPVOTSA-N 1 1 323.397 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)Cn2ncnn2)CC1 ZINC001433897140 928278855 /nfs/dbraw/zinc/27/88/55/928278855.db2.gz MMPSKNRGDXZTIO-UHFFFAOYSA-N 1 1 318.341 -1.357 20 0 DAADMO CNC(=O)NCC(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001434063670 928298843 /nfs/dbraw/zinc/29/88/43/928298843.db2.gz CBUMMLGBJSABGG-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CC[N@@H+](C)C1 ZINC001434094217 928302309 /nfs/dbraw/zinc/30/23/09/928302309.db2.gz AGHPVASYZRBJGE-SNVBAGLBSA-N 1 1 308.338 -1.043 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CN=NC2=O)C1 ZINC001434106781 928305409 /nfs/dbraw/zinc/30/54/09/928305409.db2.gz FWIFGNMDODLMIJ-UHFFFAOYSA-N 1 1 324.385 -1.005 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001434103748 928305446 /nfs/dbraw/zinc/30/54/46/928305446.db2.gz HTSMCRMSAGEAOP-LLVKDONJSA-N 1 1 311.386 -1.323 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC1CC([NH+]2CCOCC2)C1 ZINC001434118265 928307768 /nfs/dbraw/zinc/30/77/68/928307768.db2.gz YVBOZMPBRUKMHT-UHFFFAOYSA-N 1 1 308.338 -1.072 20 0 DAADMO O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001434148723 928308969 /nfs/dbraw/zinc/30/89/69/928308969.db2.gz FVTPDZKSQKPSFK-XKAARJIMSA-N 1 1 307.354 -1.135 20 0 DAADMO O=C(CO)NCCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001434205560 928313818 /nfs/dbraw/zinc/31/38/18/928313818.db2.gz WIJXFSNWLKLRGB-UHFFFAOYSA-N 1 1 301.343 -1.950 20 0 DAADMO O=C(CO)NCCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001434205560 928313831 /nfs/dbraw/zinc/31/38/31/928313831.db2.gz WIJXFSNWLKLRGB-UHFFFAOYSA-N 1 1 301.343 -1.950 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CCN(S(N)(=O)=O)CC1 ZINC001434234775 928318467 /nfs/dbraw/zinc/31/84/67/928318467.db2.gz WKVAKWRJZLAWDE-ZYHUDNBSSA-N 1 1 320.415 -1.774 20 0 DAADMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001434245303 928320843 /nfs/dbraw/zinc/32/08/43/928320843.db2.gz BRNLEUZLMWPUBC-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CC[C@@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001434245303 928320853 /nfs/dbraw/zinc/32/08/53/928320853.db2.gz BRNLEUZLMWPUBC-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)CC2 ZINC001434250258 928322054 /nfs/dbraw/zinc/32/20/54/928322054.db2.gz BMUHTBWXWJZEHM-SECBINFHSA-N 1 1 313.383 -1.242 20 0 DAADMO COCC(=O)N[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)C(C)C ZINC001434283816 928324190 /nfs/dbraw/zinc/32/41/90/928324190.db2.gz PGIRTDRPKZWALP-GXTWGEPZSA-N 1 1 317.386 -1.759 20 0 DAADMO Cc1occc(=O)c1OCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001434286520 928324886 /nfs/dbraw/zinc/32/48/86/928324886.db2.gz DLIFYTUEDRGUIP-CQSZACIVSA-N 1 1 312.322 -1.206 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001434288306 928325039 /nfs/dbraw/zinc/32/50/39/928325039.db2.gz RWNWDJJQVFNZLO-LLVKDONJSA-N 1 1 324.403 -2.808 20 0 DAADMO NC(=O)C1(NC(=O)CCc2cnc[nH]2)CCS(=O)(=O)CC1 ZINC001434295798 928326177 /nfs/dbraw/zinc/32/61/77/928326177.db2.gz DKKJHQWPYLRPLJ-UHFFFAOYSA-N 1 1 314.367 -1.109 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329811 928334574 /nfs/dbraw/zinc/33/45/74/928334574.db2.gz AQBXBNGSLNFCPG-IUODEOHRSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C3CC3)C2)C1 ZINC001434329811 928334587 /nfs/dbraw/zinc/33/45/87/928334587.db2.gz AQBXBNGSLNFCPG-IUODEOHRSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CCC(=O)N1CCC(O)CC1 ZINC001434363785 928340650 /nfs/dbraw/zinc/34/06/50/928340650.db2.gz BLXRUEXUYDQMKH-UHFFFAOYSA-N 1 1 301.387 -1.210 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001434381841 928345276 /nfs/dbraw/zinc/34/52/76/928345276.db2.gz XYKGDONDQCIYPZ-VHSXEESVSA-N 1 1 309.374 -1.366 20 0 DAADMO C[NH+]1CCN(C(=O)CNC(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC001434426267 928352437 /nfs/dbraw/zinc/35/24/37/928352437.db2.gz YZENDXNYOPUDQC-UHFFFAOYSA-N 1 1 318.337 -1.061 20 0 DAADMO Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001434447335 928353634 /nfs/dbraw/zinc/35/36/34/928353634.db2.gz RWZFLCLEJZLMQM-GFCCVEGCSA-N 1 1 316.383 -1.049 20 0 DAADMO Cn1nnnc1CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001434458988 928354203 /nfs/dbraw/zinc/35/42/03/928354203.db2.gz FJGJIVVMEXFYSC-SECBINFHSA-N 1 1 303.392 -1.742 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cn1 ZINC001434481650 928355675 /nfs/dbraw/zinc/35/56/75/928355675.db2.gz YGKWNIRQNSCXPG-JQWIXIFHSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cn1 ZINC001434481650 928355690 /nfs/dbraw/zinc/35/56/90/928355690.db2.gz YGKWNIRQNSCXPG-JQWIXIFHSA-N 1 1 318.399 -1.484 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC001434481320 928355871 /nfs/dbraw/zinc/35/58/71/928355871.db2.gz SHSXMVHAYRMHOL-HZMBPMFUSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC001434481320 928355883 /nfs/dbraw/zinc/35/58/83/928355883.db2.gz SHSXMVHAYRMHOL-HZMBPMFUSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)[N@@H+](C)C[C@@H](O)CNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001434482959 928356247 /nfs/dbraw/zinc/35/62/47/928356247.db2.gz BSMRAYXBMAGPJG-NSHDSACASA-N 1 1 321.443 -1.290 20 0 DAADMO NC(=O)[C@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C[C@H]1C(N)=O ZINC001434481721 928357469 /nfs/dbraw/zinc/35/74/69/928357469.db2.gz CTUBFRIXJXKNTM-HHHUOAJASA-N 1 1 308.382 -1.048 20 0 DAADMO CN(C(=O)C[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1)C1CC1 ZINC001434483356 928359688 /nfs/dbraw/zinc/35/96/88/928359688.db2.gz PWJVOGLOZHXMFU-UHFFFAOYSA-N 1 1 303.384 -1.371 20 0 DAADMO C[NH+]1CCN(CCCS(=O)(=O)NCCc2nc[nH]n2)CC1 ZINC001434559336 928363165 /nfs/dbraw/zinc/36/31/65/928363165.db2.gz YSMYGAJPLZUSRR-UHFFFAOYSA-N 1 1 316.431 -1.096 20 0 DAADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC001434537449 928363962 /nfs/dbraw/zinc/36/39/62/928363962.db2.gz XPXPLJPNVYGXHN-NXEZZACHSA-N 1 1 304.372 -1.223 20 0 DAADMO C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[N@H+](C)CCN1C ZINC001434636784 928373705 /nfs/dbraw/zinc/37/37/05/928373705.db2.gz WTOHCWQMUACGRB-WRWGMCAJSA-N 1 1 307.416 -1.700 20 0 DAADMO C[C@@H](NS(=O)(=O)[C@@H]1COC[C@H]1O)[C@@H]1C[N@@H+](C)CCN1C ZINC001434636784 928373715 /nfs/dbraw/zinc/37/37/15/928373715.db2.gz WTOHCWQMUACGRB-WRWGMCAJSA-N 1 1 307.416 -1.700 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001434759702 928376028 /nfs/dbraw/zinc/37/60/28/928376028.db2.gz PFDWIZUFBQTSDJ-NEPJUHHUSA-N 1 1 314.386 -1.855 20 0 DAADMO CC(CO)(CO)NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001434832085 928386418 /nfs/dbraw/zinc/38/64/18/928386418.db2.gz ATTOBJBKIVMKOV-UHFFFAOYSA-N 1 1 303.359 -1.522 20 0 DAADMO CC(CO)(CO)NC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001434832085 928386424 /nfs/dbraw/zinc/38/64/24/928386424.db2.gz ATTOBJBKIVMKOV-UHFFFAOYSA-N 1 1 303.359 -1.522 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)NCc2nc(N)n[nH]2)CC[N@@H+](C)C1 ZINC001434826652 928387438 /nfs/dbraw/zinc/38/74/38/928387438.db2.gz MFROLCLCXBZFAS-MRVPVSSYSA-N 1 1 311.346 -1.367 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001434846110 928389572 /nfs/dbraw/zinc/38/95/72/928389572.db2.gz DIVZWOPHAPFGMM-SECBINFHSA-N 1 1 307.358 -1.378 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC001434846897 928389748 /nfs/dbraw/zinc/38/97/48/928389748.db2.gz WDBXBNHWZHEBRD-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC001434846897 928389762 /nfs/dbraw/zinc/38/97/62/928389762.db2.gz WDBXBNHWZHEBRD-UHFFFAOYSA-N 1 1 315.337 -1.014 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001434855776 928389896 /nfs/dbraw/zinc/38/98/96/928389896.db2.gz VXEYHLUTTZJLMK-KBPBESRZSA-N 1 1 324.381 -1.196 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001436329398 928394609 /nfs/dbraw/zinc/39/46/09/928394609.db2.gz LDGWRQNUJYKEJF-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001436329398 928394612 /nfs/dbraw/zinc/39/46/12/928394612.db2.gz LDGWRQNUJYKEJF-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001436359034 928395715 /nfs/dbraw/zinc/39/57/15/928395715.db2.gz JJXKXSVIJVDUHK-RBZYPMLTSA-N 1 1 321.385 -1.137 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436392950 928396504 /nfs/dbraw/zinc/39/65/04/928396504.db2.gz GTLLRNORUMFOJV-GUBZILKMSA-N 1 1 309.374 -1.294 20 0 DAADMO NC(=O)NCCC(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001436465602 928397982 /nfs/dbraw/zinc/39/79/82/928397982.db2.gz YSHFNVANDUGORG-GFCCVEGCSA-N 1 1 316.402 -1.288 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001436465303 928398011 /nfs/dbraw/zinc/39/80/11/928398011.db2.gz XSBWHRVJEXQJFG-OLZOCXBDSA-N 1 1 311.386 -1.056 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001436479949 928398269 /nfs/dbraw/zinc/39/82/69/928398269.db2.gz DPGFYYAROSTYRB-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001436479949 928398281 /nfs/dbraw/zinc/39/82/81/928398281.db2.gz DPGFYYAROSTYRB-VWYCJHECSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001436465288 928399933 /nfs/dbraw/zinc/39/99/33/928399933.db2.gz XSBWHRVJEXQJFG-CHWSQXEVSA-N 1 1 311.386 -1.056 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](N(CCO)CC(N)=O)C2)C1 ZINC001436457152 928400656 /nfs/dbraw/zinc/40/06/56/928400656.db2.gz IULDPIZDKBJUGL-STQMWFEESA-N 1 1 312.414 -1.291 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001436692628 928402788 /nfs/dbraw/zinc/40/27/88/928402788.db2.gz NGLLYVCOKZLXJU-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001436692628 928402798 /nfs/dbraw/zinc/40/27/98/928402798.db2.gz NGLLYVCOKZLXJU-VXGBXAGGSA-N 1 1 321.385 -1.078 20 0 DAADMO COCCS(=O)(=O)CC(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001436665876 928403959 /nfs/dbraw/zinc/40/39/59/928403959.db2.gz GXGUOBLSCAFBFR-UHFFFAOYSA-N 1 1 322.427 -1.037 20 0 DAADMO NC(=O)CN1CCN(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001436713556 928408076 /nfs/dbraw/zinc/40/80/76/928408076.db2.gz OSDPOCWTJQWPJZ-INIZCTEOSA-N 1 1 323.441 -1.309 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728358 928408660 /nfs/dbraw/zinc/40/86/60/928408660.db2.gz BZFIVORHBCKANS-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001436728358 928408676 /nfs/dbraw/zinc/40/86/76/928408676.db2.gz BZFIVORHBCKANS-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1nnnc1C[NH2+][C@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001436770033 928411680 /nfs/dbraw/zinc/41/16/80/928411680.db2.gz QRMWCDLPQPCFIL-MNOVXSKESA-N 1 1 310.358 -1.390 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001436847916 928413510 /nfs/dbraw/zinc/41/35/10/928413510.db2.gz WWTCEJGKEOEGNG-NSHDSACASA-N 1 1 324.385 -1.460 20 0 DAADMO CC[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001436875686 928413532 /nfs/dbraw/zinc/41/35/32/928413532.db2.gz KOUVULOWYKBHNZ-QWRGUYRKSA-N 1 1 309.374 -1.185 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001436848938 928413929 /nfs/dbraw/zinc/41/39/29/928413929.db2.gz ZCSMJYYLIVMSSG-QWRGUYRKSA-N 1 1 312.370 -1.253 20 0 DAADMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001436847910 928414547 /nfs/dbraw/zinc/41/45/47/928414547.db2.gz WWTCEJGKEOEGNG-LLVKDONJSA-N 1 1 324.385 -1.460 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001436868066 928415032 /nfs/dbraw/zinc/41/50/32/928415032.db2.gz JQJKBOVVPLHRFZ-VIFPVBQESA-N 1 1 317.371 -1.301 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001436889732 928416919 /nfs/dbraw/zinc/41/69/19/928416919.db2.gz OKGOXFDZBPMTCI-IWSPIJDZSA-N 1 1 311.346 -1.136 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001436999900 928420436 /nfs/dbraw/zinc/42/04/36/928420436.db2.gz VALBOHTXZUHSBU-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001437000741 928420782 /nfs/dbraw/zinc/42/07/82/928420782.db2.gz HBNSFLWSMPCNRL-NSHDSACASA-N 1 1 307.416 -1.254 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001436990286 928420807 /nfs/dbraw/zinc/42/08/07/928420807.db2.gz DMTAMKQCIVMTIL-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001436990286 928420815 /nfs/dbraw/zinc/42/08/15/928420815.db2.gz DMTAMKQCIVMTIL-SNVBAGLBSA-N 1 1 320.415 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001437001311 928420824 /nfs/dbraw/zinc/42/08/24/928420824.db2.gz JMNNHEOQVMTTAF-JTQLQIEISA-N 1 1 320.415 -1.890 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001437000614 928421645 /nfs/dbraw/zinc/42/16/45/928421645.db2.gz WQXQRJLARDJHLN-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001437000614 928421653 /nfs/dbraw/zinc/42/16/53/928421653.db2.gz WQXQRJLARDJHLN-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001437000739 928421674 /nfs/dbraw/zinc/42/16/74/928421674.db2.gz HBNSFLWSMPCNRL-LLVKDONJSA-N 1 1 307.416 -1.254 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001436990661 928422177 /nfs/dbraw/zinc/42/21/77/928422177.db2.gz ZXZHTDCFBOGQMX-MNOVXSKESA-N 1 1 309.374 -1.364 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[C@@H]1CCOC1 ZINC001437075444 928422961 /nfs/dbraw/zinc/42/29/61/928422961.db2.gz BDDNDGMTGUMKPR-FQEAEBOJSA-N 1 1 311.382 -1.040 20 0 DAADMO CCO[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[C@@H]1CCOC1 ZINC001437075444 928422969 /nfs/dbraw/zinc/42/29/69/928422969.db2.gz BDDNDGMTGUMKPR-FQEAEBOJSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001437061568 928422990 /nfs/dbraw/zinc/42/29/90/928422990.db2.gz WPYNXLNMFAUJFB-UVOCVTCTSA-N 1 1 310.354 -1.205 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001437061568 928422998 /nfs/dbraw/zinc/42/29/98/928422998.db2.gz WPYNXLNMFAUJFB-UVOCVTCTSA-N 1 1 310.354 -1.205 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001437061518 928423205 /nfs/dbraw/zinc/42/32/05/928423205.db2.gz SMSFKTXBAXHRES-AHRFKUBPSA-N 1 1 308.382 -1.164 20 0 DAADMO CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001437069471 928423226 /nfs/dbraw/zinc/42/32/26/928423226.db2.gz UFRRWJZRXYVSQW-GCHJQGSQSA-N 1 1 323.397 -1.371 20 0 DAADMO CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001437069477 928423261 /nfs/dbraw/zinc/42/32/61/928423261.db2.gz UFRRWJZRXYVSQW-HHHUOAJASA-N 1 1 323.397 -1.371 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001437010769 928423310 /nfs/dbraw/zinc/42/33/10/928423310.db2.gz ZNXRFCPWWAXJKN-NXEZZACHSA-N 1 1 320.415 -1.762 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001437010778 928423933 /nfs/dbraw/zinc/42/39/33/928423933.db2.gz ZNXRFCPWWAXJKN-VHSXEESVSA-N 1 1 320.415 -1.762 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[C@@H]1CCOC1 ZINC001437075446 928424013 /nfs/dbraw/zinc/42/40/13/928424013.db2.gz BDDNDGMTGUMKPR-SSYGJKRZSA-N 1 1 311.382 -1.040 20 0 DAADMO CCO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[C@@H]1CCOC1 ZINC001437075446 928424020 /nfs/dbraw/zinc/42/40/20/928424020.db2.gz BDDNDGMTGUMKPR-SSYGJKRZSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437082984 928424334 /nfs/dbraw/zinc/42/43/34/928424334.db2.gz REFKGUUMXNPJHV-KKJSVHSVSA-N 1 1 323.397 -1.432 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078807 928424450 /nfs/dbraw/zinc/42/44/50/928424450.db2.gz KPSGHQJCPRMPDQ-OFKSJOQMSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001437078807 928424460 /nfs/dbraw/zinc/42/44/60/928424460.db2.gz KPSGHQJCPRMPDQ-OFKSJOQMSA-N 1 1 310.354 -1.347 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437082986 928424926 /nfs/dbraw/zinc/42/49/26/928424926.db2.gz REFKGUUMXNPJHV-RNWYCLNJSA-N 1 1 323.397 -1.432 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070133 928425105 /nfs/dbraw/zinc/42/51/05/928425105.db2.gz JUCKLINCZBIGDB-FBDQPXRJSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)S(C)(=O)=O ZINC001437070133 928425111 /nfs/dbraw/zinc/42/51/11/928425111.db2.gz JUCKLINCZBIGDB-FBDQPXRJSA-N 1 1 315.395 -1.646 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001437103841 928427669 /nfs/dbraw/zinc/42/76/69/928427669.db2.gz IXMZVEZVVCVZEW-WCBMZHEXSA-N 1 1 307.358 -1.119 20 0 DAADMO C[C@H](CNC(=O)CN1CCOCC1)[NH2+][C@H](C)c1nnnn1C ZINC001437127152 928430045 /nfs/dbraw/zinc/43/00/45/928430045.db2.gz PPMFCYHLWSJNSC-GHMZBOCLSA-N 1 1 311.390 -1.302 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001437164283 928431642 /nfs/dbraw/zinc/43/16/42/928431642.db2.gz OWDMLJOMPOZLDQ-VHSXEESVSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)[NH2+]Cc1nnnn1C ZINC001437164284 928433448 /nfs/dbraw/zinc/43/34/48/928433448.db2.gz OWDMLJOMPOZLDQ-ZJUUUORDSA-N 1 1 324.389 -1.405 20 0 DAADMO C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)[NH2+]Cc1ncnn1C ZINC001437201246 928434879 /nfs/dbraw/zinc/43/48/79/928434879.db2.gz KPBJZNDRKIPINS-RKDXNWHRSA-N 1 1 318.403 -1.653 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)[NH2+]Cc1ccon1 ZINC001437210651 928435883 /nfs/dbraw/zinc/43/58/83/928435883.db2.gz KNXZRYDQXOTWNN-SECBINFHSA-N 1 1 321.337 -1.020 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001437195690 928436162 /nfs/dbraw/zinc/43/61/62/928436162.db2.gz AVQBYGPVONBGOF-ZETCQYMHSA-N 1 1 306.330 -1.078 20 0 DAADMO C[C@H](CNC(=O)CCCS(N)(=O)=O)[NH2+]Cc1ncnn1C ZINC001437197302 928436338 /nfs/dbraw/zinc/43/63/38/928436338.db2.gz QBSXOQIONMEJKY-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437221155 928439355 /nfs/dbraw/zinc/43/93/55/928439355.db2.gz FNENPMIPXFJNRX-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001437221155 928439362 /nfs/dbraw/zinc/43/93/62/928439362.db2.gz FNENPMIPXFJNRX-NXEZZACHSA-N 1 1 310.358 -1.192 20 0 DAADMO CCS(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001437264591 928441096 /nfs/dbraw/zinc/44/10/96/928441096.db2.gz VXYQETIFGZBVIG-VIFPVBQESA-N 1 1 303.388 -1.156 20 0 DAADMO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001437331987 928445439 /nfs/dbraw/zinc/44/54/39/928445439.db2.gz GLNQQTRKJBDPAG-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001437331987 928445445 /nfs/dbraw/zinc/44/54/45/928445445.db2.gz GLNQQTRKJBDPAG-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001437336346 928445577 /nfs/dbraw/zinc/44/55/77/928445577.db2.gz LMISWGMYMVGRQY-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001437336346 928445584 /nfs/dbraw/zinc/44/55/84/928445584.db2.gz LMISWGMYMVGRQY-NSHDSACASA-N 1 1 313.402 -1.026 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001437339247 928445603 /nfs/dbraw/zinc/44/56/03/928445603.db2.gz VSMVQJNKVQCLKC-GFCCVEGCSA-N 1 1 314.386 -1.846 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001437331995 928445645 /nfs/dbraw/zinc/44/56/45/928445645.db2.gz GLNQQTRKJBDPAG-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001437331995 928445651 /nfs/dbraw/zinc/44/56/51/928445651.db2.gz GLNQQTRKJBDPAG-SNVBAGLBSA-N 1 1 320.415 -1.714 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001437343970 928446302 /nfs/dbraw/zinc/44/63/02/928446302.db2.gz CSFDXNAJXRYTOL-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001437311396 928446697 /nfs/dbraw/zinc/44/66/97/928446697.db2.gz PXPXNQXIUOFCAH-SECBINFHSA-N 1 1 310.362 -1.923 20 0 DAADMO Cc1c(C(=O)NCC[C@@H](C)[NH2+]Cc2nnn(C)n2)nnn1C ZINC001437369838 928448062 /nfs/dbraw/zinc/44/80/62/928448062.db2.gz VLJJHXJIYQMROM-MRVPVSSYSA-N 1 1 307.362 -1.055 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cnccn1 ZINC001437429341 928448287 /nfs/dbraw/zinc/44/82/87/928448287.db2.gz FUQVBYMSUULSFS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cnccn1 ZINC001437429341 928448294 /nfs/dbraw/zinc/44/82/94/928448294.db2.gz FUQVBYMSUULSFS-SECBINFHSA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cnccn1 ZINC001437429344 928448601 /nfs/dbraw/zinc/44/86/01/928448601.db2.gz FUQVBYMSUULSFS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cnccn1 ZINC001437429344 928448608 /nfs/dbraw/zinc/44/86/08/928448608.db2.gz FUQVBYMSUULSFS-VIFPVBQESA-N 1 1 308.342 -1.018 20 0 DAADMO C[C@H](CCNC(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1nnn(C)n1 ZINC001437426613 928449157 /nfs/dbraw/zinc/44/91/57/928449157.db2.gz HMPVDYRTDTUYMQ-SECBINFHSA-N 1 1 322.373 -1.455 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001437453704 928451344 /nfs/dbraw/zinc/45/13/44/928451344.db2.gz UQXKRPLFJKCSRA-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437432607 928451566 /nfs/dbraw/zinc/45/15/66/928451566.db2.gz QUMSIPAMYDMYFZ-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437432607 928451575 /nfs/dbraw/zinc/45/15/75/928451575.db2.gz QUMSIPAMYDMYFZ-SFYZADRCSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437432606 928452106 /nfs/dbraw/zinc/45/21/06/928452106.db2.gz QUMSIPAMYDMYFZ-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001437432606 928452116 /nfs/dbraw/zinc/45/21/16/928452116.db2.gz QUMSIPAMYDMYFZ-JGVFFNPUSA-N 1 1 301.347 -1.858 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)Cn1cccn1 ZINC001437438384 928452900 /nfs/dbraw/zinc/45/29/00/928452900.db2.gz ZERHZRZNGWQUKK-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)Cn1cccn1 ZINC001437438384 928452904 /nfs/dbraw/zinc/45/29/04/928452904.db2.gz ZERHZRZNGWQUKK-UHFFFAOYSA-N 1 1 310.358 -1.223 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437479652 928454185 /nfs/dbraw/zinc/45/41/85/928454185.db2.gz HQHRHBFMZOFCTH-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO CN1CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437479652 928454191 /nfs/dbraw/zinc/45/41/91/928454191.db2.gz HQHRHBFMZOFCTH-SECBINFHSA-N 1 1 313.358 -1.902 20 0 DAADMO Cc1nnccc1C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O ZINC001437479792 928454291 /nfs/dbraw/zinc/45/42/91/928454291.db2.gz FSRJLFQSTPLNMB-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO Cc1nnccc1C(=O)NCC[N@H+](C)CCNS(C)(=O)=O ZINC001437479792 928454298 /nfs/dbraw/zinc/45/42/98/928454298.db2.gz FSRJLFQSTPLNMB-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001437476627 928454320 /nfs/dbraw/zinc/45/43/20/928454320.db2.gz AJSVEPPNWUZDQS-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)CNC(C)=O ZINC001437476627 928454325 /nfs/dbraw/zinc/45/43/25/928454325.db2.gz AJSVEPPNWUZDQS-VIFPVBQESA-N 1 1 315.374 -2.579 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437474254 928454629 /nfs/dbraw/zinc/45/46/29/928454629.db2.gz ZTEIAAZUCGUPPF-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC1=O ZINC001437474254 928454636 /nfs/dbraw/zinc/45/46/36/928454636.db2.gz ZTEIAAZUCGUPPF-VIFPVBQESA-N 1 1 313.358 -1.902 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437478011 928455451 /nfs/dbraw/zinc/45/54/51/928455451.db2.gz DVZWEHCUTQULPD-JTQLQIEISA-N 1 1 324.385 -1.098 20 0 DAADMO Cc1nn(C)cc1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437478011 928455458 /nfs/dbraw/zinc/45/54/58/928455458.db2.gz DVZWEHCUTQULPD-JTQLQIEISA-N 1 1 324.385 -1.098 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NCC[N@H+](C)C[C@@H]1CCOC1 ZINC001437480709 928455582 /nfs/dbraw/zinc/45/55/82/928455582.db2.gz KSZHYSLFFSCNNR-LBPRGKRZSA-N 1 1 314.386 -1.677 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001437481361 928455659 /nfs/dbraw/zinc/45/56/59/928455659.db2.gz LKGFEOJKJQKEHJ-MRVPVSSYSA-N 1 1 305.356 -1.031 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001437486597 928455690 /nfs/dbraw/zinc/45/56/90/928455690.db2.gz WQVLPOMJOKYPFB-RKDXNWHRSA-N 1 1 310.358 -1.532 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001437486597 928455695 /nfs/dbraw/zinc/45/56/95/928455695.db2.gz WQVLPOMJOKYPFB-RKDXNWHRSA-N 1 1 310.358 -1.532 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@@H+](C)[C@@H]3CCNC3=O)nn2c1 ZINC001437476344 928455731 /nfs/dbraw/zinc/45/57/31/928455731.db2.gz CLBFNQLVSAOUJA-SNVBAGLBSA-N 1 1 317.353 -1.017 20 0 DAADMO Cc1cnc2nc(C(=O)NCC[N@H+](C)[C@@H]3CCNC3=O)nn2c1 ZINC001437476344 928455738 /nfs/dbraw/zinc/45/57/38/928455738.db2.gz CLBFNQLVSAOUJA-SNVBAGLBSA-N 1 1 317.353 -1.017 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CCNS(C)(=O)=O ZINC001437484496 928455864 /nfs/dbraw/zinc/45/58/64/928455864.db2.gz PWENKKZYDBHCFW-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)CCNS(C)(=O)=O ZINC001437484496 928455869 /nfs/dbraw/zinc/45/58/69/928455869.db2.gz PWENKKZYDBHCFW-SNVBAGLBSA-N 1 1 320.415 -1.890 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464500 928456460 /nfs/dbraw/zinc/45/64/60/928456460.db2.gz SUOMDXBKAYZFBZ-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437464500 928456470 /nfs/dbraw/zinc/45/64/70/928456470.db2.gz SUOMDXBKAYZFBZ-VHSXEESVSA-N 1 1 322.369 -1.316 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001437467609 928456734 /nfs/dbraw/zinc/45/67/34/928456734.db2.gz YXWAMVXYPFVECW-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001437467609 928456743 /nfs/dbraw/zinc/45/67/43/928456743.db2.gz YXWAMVXYPFVECW-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001437515358 928458142 /nfs/dbraw/zinc/45/81/42/928458142.db2.gz HGKKKYWCWIZZGO-UHFFFAOYSA-N 1 1 312.330 -1.757 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001437515358 928458153 /nfs/dbraw/zinc/45/81/53/928458153.db2.gz HGKKKYWCWIZZGO-UHFFFAOYSA-N 1 1 312.330 -1.757 20 0 DAADMO COc1ccnc(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)c1 ZINC001437496940 928458640 /nfs/dbraw/zinc/45/86/40/928458640.db2.gz BWSUZNKUCRQOID-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO COc1ccnc(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)c1 ZINC001437496940 928458652 /nfs/dbraw/zinc/45/86/52/928458652.db2.gz BWSUZNKUCRQOID-UHFFFAOYSA-N 1 1 309.326 -1.053 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437501898 928458805 /nfs/dbraw/zinc/45/88/05/928458805.db2.gz BYUKVWTWHBQAKH-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001437501898 928458812 /nfs/dbraw/zinc/45/88/12/928458812.db2.gz BYUKVWTWHBQAKH-GXSJLCMTSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)COCC(F)F ZINC001437500363 928458887 /nfs/dbraw/zinc/45/88/87/928458887.db2.gz UBQKCNASHNJDHS-UHFFFAOYSA-N 1 1 310.301 -1.228 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)COCC(F)F ZINC001437500363 928458897 /nfs/dbraw/zinc/45/88/97/928458897.db2.gz UBQKCNASHNJDHS-UHFFFAOYSA-N 1 1 310.301 -1.228 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001437491907 928459128 /nfs/dbraw/zinc/45/91/28/928459128.db2.gz KPBUVYZAPRDUMX-VIFPVBQESA-N 1 1 311.342 -1.869 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001437491907 928459136 /nfs/dbraw/zinc/45/91/36/928459136.db2.gz KPBUVYZAPRDUMX-VIFPVBQESA-N 1 1 311.342 -1.869 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@H+](C)[C@H]1CCNC1=O)CC2 ZINC001437510646 928459457 /nfs/dbraw/zinc/45/94/57/928459457.db2.gz XDLQKGJICRXLFP-PWSUYJOCSA-N 1 1 320.397 -1.144 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O)CC2 ZINC001437510646 928459462 /nfs/dbraw/zinc/45/94/62/928459462.db2.gz XDLQKGJICRXLFP-PWSUYJOCSA-N 1 1 320.397 -1.144 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1cnc(C)n1C ZINC001437502994 928459578 /nfs/dbraw/zinc/45/95/78/928459578.db2.gz AODIARDFQGVWGG-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1cnc(C)n1C ZINC001437502994 928459588 /nfs/dbraw/zinc/45/95/88/928459588.db2.gz AODIARDFQGVWGG-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437501904 928459633 /nfs/dbraw/zinc/45/96/33/928459633.db2.gz BYUKVWTWHBQAKH-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001437501904 928459639 /nfs/dbraw/zinc/45/96/39/928459639.db2.gz BYUKVWTWHBQAKH-ONGXEEELSA-N 1 1 311.386 -1.275 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001437499447 928459832 /nfs/dbraw/zinc/45/98/32/928459832.db2.gz RCNPWEYZWYKYTC-MRVPVSSYSA-N 1 1 309.392 -2.777 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNS(=O)(=O)NC ZINC001437499447 928459836 /nfs/dbraw/zinc/45/98/36/928459836.db2.gz RCNPWEYZWYKYTC-MRVPVSSYSA-N 1 1 309.392 -2.777 20 0 DAADMO C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437517679 928460236 /nfs/dbraw/zinc/46/02/36/928460236.db2.gz GISYWLJJIRWXPT-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001437517679 928460242 /nfs/dbraw/zinc/46/02/42/928460242.db2.gz GISYWLJJIRWXPT-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437507869 928460310 /nfs/dbraw/zinc/46/03/10/928460310.db2.gz QBDDGSFZTNWCFT-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001437507869 928460317 /nfs/dbraw/zinc/46/03/17/928460317.db2.gz QBDDGSFZTNWCFT-MRVPVSSYSA-N 1 1 324.341 -1.724 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001437541166 928461603 /nfs/dbraw/zinc/46/16/03/928461603.db2.gz OZSWLAKHZKBCTN-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001437541166 928461614 /nfs/dbraw/zinc/46/16/14/928461614.db2.gz OZSWLAKHZKBCTN-LLVKDONJSA-N 1 1 309.370 -1.055 20 0 DAADMO C[N@H+](CCNC(=O)c1cccnn1)CCNS(C)(=O)=O ZINC001437539118 928461774 /nfs/dbraw/zinc/46/17/74/928461774.db2.gz NRCQWLJUFCCUBZ-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO C[N@@H+](CCNC(=O)c1cccnn1)CCNS(C)(=O)=O ZINC001437539118 928461785 /nfs/dbraw/zinc/46/17/85/928461785.db2.gz NRCQWLJUFCCUBZ-UHFFFAOYSA-N 1 1 301.372 -1.313 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)cn1 ZINC001437564256 928461909 /nfs/dbraw/zinc/46/19/09/928461909.db2.gz KQMRUTIDOAERNG-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO Cn1cc(CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)cn1 ZINC001437564256 928461915 /nfs/dbraw/zinc/46/19/15/928461915.db2.gz KQMRUTIDOAERNG-UHFFFAOYSA-N 1 1 310.358 -1.404 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001437541171 928462179 /nfs/dbraw/zinc/46/21/79/928462179.db2.gz OZSWLAKHZKBCTN-NSHDSACASA-N 1 1 309.370 -1.055 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1cnccc1=O ZINC001437541171 928462181 /nfs/dbraw/zinc/46/21/81/928462181.db2.gz OZSWLAKHZKBCTN-NSHDSACASA-N 1 1 309.370 -1.055 20 0 DAADMO CCc1ncncc1C(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001437563651 928462294 /nfs/dbraw/zinc/46/22/94/928462294.db2.gz QGCDHZFHPGPUAJ-UHFFFAOYSA-N 1 1 308.342 -1.105 20 0 DAADMO CCc1ncncc1C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001437563651 928462297 /nfs/dbraw/zinc/46/22/97/928462297.db2.gz QGCDHZFHPGPUAJ-UHFFFAOYSA-N 1 1 308.342 -1.105 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)Cc2nnnn2C)C1 ZINC001437563878 928462409 /nfs/dbraw/zinc/46/24/09/928462409.db2.gz LLQROYQUOUQIIE-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)Cc2nnnn2C)C1 ZINC001437563878 928462413 /nfs/dbraw/zinc/46/24/13/928462413.db2.gz LLQROYQUOUQIIE-NSHDSACASA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437566200 928462452 /nfs/dbraw/zinc/46/24/52/928462452.db2.gz SBUHELODWMNALQ-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001437566200 928462454 /nfs/dbraw/zinc/46/24/54/928462454.db2.gz SBUHELODWMNALQ-SNVBAGLBSA-N 1 1 311.386 -1.138 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437535483 928462527 /nfs/dbraw/zinc/46/25/27/928462527.db2.gz IOLISSPTGRGEKQ-QMMMGPOBSA-N 1 1 315.374 -1.468 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001437535483 928462533 /nfs/dbraw/zinc/46/25/33/928462533.db2.gz IOLISSPTGRGEKQ-QMMMGPOBSA-N 1 1 315.374 -1.468 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001437546849 928462603 /nfs/dbraw/zinc/46/26/03/928462603.db2.gz YFFOWTBFQVZOAF-JTQLQIEISA-N 1 1 316.358 -2.016 20 0 DAADMO COC[C@H](C)[N@@H+](C)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001437528817 928462916 /nfs/dbraw/zinc/46/29/16/928462916.db2.gz YBRKLNQKDVYZOL-NSHDSACASA-N 1 1 322.369 -1.026 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001437560082 928463075 /nfs/dbraw/zinc/46/30/75/928463075.db2.gz RHUWCGPPXRKPPH-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccn(C)n1 ZINC001437560082 928463084 /nfs/dbraw/zinc/46/30/84/928463084.db2.gz RHUWCGPPXRKPPH-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001437567072 928464639 /nfs/dbraw/zinc/46/46/39/928464639.db2.gz WHNCMWLBIWJRPU-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CNC(=O)c1ccccn1 ZINC001437567072 928464642 /nfs/dbraw/zinc/46/46/42/928464642.db2.gz WHNCMWLBIWJRPU-SNVBAGLBSA-N 1 1 307.354 -1.267 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@H]1CCNC1=O ZINC001437616083 928465086 /nfs/dbraw/zinc/46/50/86/928465086.db2.gz PALSDPOYORXJFZ-NSHDSACASA-N 1 1 324.385 -1.702 20 0 DAADMO CC[N@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCCC1 ZINC001437575717 928465147 /nfs/dbraw/zinc/46/51/47/928465147.db2.gz YCUFJSAMCTYGNY-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnnn1)CC(=O)N1CCCC1 ZINC001437575717 928465150 /nfs/dbraw/zinc/46/51/50/928465150.db2.gz YCUFJSAMCTYGNY-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465287 /nfs/dbraw/zinc/46/52/87/928465287.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)NC(N)=O ZINC001437589917 928465294 /nfs/dbraw/zinc/46/52/94/928465294.db2.gz NSVWYLPIZBQQHG-JTQLQIEISA-N 1 1 315.374 -2.050 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)C[C@H](O)Cn1cccn1 ZINC001437611133 928465530 /nfs/dbraw/zinc/46/55/30/928465530.db2.gz AKFBZOXBUOTTEW-NSHDSACASA-N 1 1 322.373 -1.481 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001437568709 928466370 /nfs/dbraw/zinc/46/63/70/928466370.db2.gz PQNPNXJAOZCVQN-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C(N)=O)ccn1 ZINC001437568709 928466381 /nfs/dbraw/zinc/46/63/81/928466381.db2.gz PQNPNXJAOZCVQN-SECBINFHSA-N 1 1 307.354 -1.023 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001437676296 928467515 /nfs/dbraw/zinc/46/75/15/928467515.db2.gz SVJJGGPNSMWPRS-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001437676296 928467522 /nfs/dbraw/zinc/46/75/22/928467522.db2.gz SVJJGGPNSMWPRS-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001437676291 928467964 /nfs/dbraw/zinc/46/79/64/928467964.db2.gz SVJJGGPNSMWPRS-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001437676291 928467973 /nfs/dbraw/zinc/46/79/73/928467973.db2.gz SVJJGGPNSMWPRS-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001437674522 928469090 /nfs/dbraw/zinc/46/90/90/928469090.db2.gz AQUPZQBDTOZOHF-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[N@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(=O)NC ZINC001437638499 928469633 /nfs/dbraw/zinc/46/96/33/928469633.db2.gz IWTUZLNXYDVSNJ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@@H+](CCNC(=O)Cc1cncn1C)CC(=O)NC(=O)NC ZINC001437638499 928469637 /nfs/dbraw/zinc/46/96/37/928469637.db2.gz IWTUZLNXYDVSNJ-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CC[N@@H+](CCNC(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC001437648341 928469783 /nfs/dbraw/zinc/46/97/83/928469783.db2.gz SDAREMNMRKIUGF-SNVBAGLBSA-N 1 1 323.353 -1.574 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001437687423 928470843 /nfs/dbraw/zinc/47/08/43/928470843.db2.gz FUWUQWHXGRSFIB-JTQLQIEISA-N 1 1 313.358 -1.902 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(N)=O ZINC001437686110 928471199 /nfs/dbraw/zinc/47/11/99/928471199.db2.gz GWSXFUJFVQBGET-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)CCNC(N)=O ZINC001437686110 928471209 /nfs/dbraw/zinc/47/12/09/928471209.db2.gz GWSXFUJFVQBGET-JTQLQIEISA-N 1 1 309.374 -1.046 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001437707919 928471324 /nfs/dbraw/zinc/47/13/24/928471324.db2.gz PNYUEIMMQUPRGW-GFCCVEGCSA-N 1 1 323.401 -1.022 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001437682306 928471472 /nfs/dbraw/zinc/47/14/72/928471472.db2.gz SUDIPWNVHADAEX-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001437682306 928471480 /nfs/dbraw/zinc/47/14/80/928471480.db2.gz SUDIPWNVHADAEX-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001437689487 928471507 /nfs/dbraw/zinc/47/15/07/928471507.db2.gz NPFJUNRXOHFYKY-SECBINFHSA-N 1 1 308.342 -1.083 20 0 DAADMO COCC(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001437701047 928471786 /nfs/dbraw/zinc/47/17/86/928471786.db2.gz XLAALDFIQBHCAG-NSHDSACASA-N 1 1 312.370 -1.971 20 0 DAADMO COCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001437701047 928471792 /nfs/dbraw/zinc/47/17/92/928471792.db2.gz XLAALDFIQBHCAG-NSHDSACASA-N 1 1 312.370 -1.971 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001437700509 928471801 /nfs/dbraw/zinc/47/18/01/928471801.db2.gz OTVJIYRQKPWUTR-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)CN3CCOCC3)C2)C1=O ZINC001437704852 928472276 /nfs/dbraw/zinc/47/22/76/928472276.db2.gz MKVXYVNFCBTCJF-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001437700506 928472829 /nfs/dbraw/zinc/47/28/29/928472829.db2.gz OTVJIYRQKPWUTR-GHMZBOCLSA-N 1 1 307.358 -1.610 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001437708055 928473003 /nfs/dbraw/zinc/47/30/03/928473003.db2.gz MNOUGCAPEHIBQG-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001437708055 928473014 /nfs/dbraw/zinc/47/30/14/928473014.db2.gz MNOUGCAPEHIBQG-UWVGGRQHSA-N 1 1 309.374 -1.190 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(N)=O ZINC001437686113 928473509 /nfs/dbraw/zinc/47/35/09/928473509.db2.gz GWSXFUJFVQBGET-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(N)=O ZINC001437686113 928473514 /nfs/dbraw/zinc/47/35/14/928473514.db2.gz GWSXFUJFVQBGET-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001437711529 928473601 /nfs/dbraw/zinc/47/36/01/928473601.db2.gz VLNOBRWGFDELAG-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001437711529 928473606 /nfs/dbraw/zinc/47/36/06/928473606.db2.gz VLNOBRWGFDELAG-VIFPVBQESA-N 1 1 323.357 -1.678 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001437713690 928474982 /nfs/dbraw/zinc/47/49/82/928474982.db2.gz ZHDNVPITZSBKCG-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001437723011 928475008 /nfs/dbraw/zinc/47/50/08/928475008.db2.gz KGSQIDKFAVMZPA-LBPRGKRZSA-N 1 1 319.373 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001437715126 928475066 /nfs/dbraw/zinc/47/50/66/928475066.db2.gz MZZCGSUITWCWFH-LLVKDONJSA-N 1 1 312.370 -1.971 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCS(C)(=O)=O)C1 ZINC001437714445 928475589 /nfs/dbraw/zinc/47/55/89/928475589.db2.gz FNLWRUYMDXMEGJ-NEPJUHHUSA-N 1 1 322.427 -1.134 20 0 DAADMO O=C(CCn1cnnn1)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001437723010 928475610 /nfs/dbraw/zinc/47/56/10/928475610.db2.gz KGSQIDKFAVMZPA-GFCCVEGCSA-N 1 1 319.373 -1.207 20 0 DAADMO O=C(CCn1cnnn1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001437719072 928475925 /nfs/dbraw/zinc/47/59/25/928475925.db2.gz BHVOIYILIWYYKK-WDEREUQCSA-N 1 1 307.358 -1.610 20 0 DAADMO NS(=O)(=O)CCCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001437723525 928476238 /nfs/dbraw/zinc/47/62/38/928476238.db2.gz NYZYXOYEBKUNRU-LLVKDONJSA-N 1 1 307.416 -1.124 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001437733780 928476601 /nfs/dbraw/zinc/47/66/01/928476601.db2.gz AFGJGUXKTOTYBV-ZJUUUORDSA-N 1 1 320.415 -1.810 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCn2cnnn2)C1 ZINC001437726795 928476726 /nfs/dbraw/zinc/47/67/26/928476726.db2.gz RMYLZPUSOYKCKD-VXGBXAGGSA-N 1 1 312.374 -1.491 20 0 DAADMO O=C(C[N@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)N1CCCC1 ZINC001437804080 928478041 /nfs/dbraw/zinc/47/80/41/928478041.db2.gz KSPAPANQSDEKKG-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)C1CC1)N1CCCC1 ZINC001437804080 928478048 /nfs/dbraw/zinc/47/80/48/928478048.db2.gz KSPAPANQSDEKKG-GFCCVEGCSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001437795862 928478127 /nfs/dbraw/zinc/47/81/27/928478127.db2.gz XBJWHMFBFONODE-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001437795862 928478134 /nfs/dbraw/zinc/47/81/34/928478134.db2.gz XBJWHMFBFONODE-CMPLNLGQSA-N 1 1 308.382 -1.018 20 0 DAADMO NC(=O)C[N@H+](CCNC(=O)c1nc2ncccn2n1)C1CC1 ZINC001437816170 928478467 /nfs/dbraw/zinc/47/84/67/928478467.db2.gz MLDLPHNNTJXZHQ-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO NC(=O)C[N@@H+](CCNC(=O)c1nc2ncccn2n1)C1CC1 ZINC001437816170 928478475 /nfs/dbraw/zinc/47/84/75/928478475.db2.gz MLDLPHNNTJXZHQ-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818819 928478962 /nfs/dbraw/zinc/47/89/62/928478962.db2.gz LNFALJKETOUURT-SCZZXKLOSA-N 1 1 318.399 -1.868 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818819 928478973 /nfs/dbraw/zinc/47/89/73/928478973.db2.gz LNFALJKETOUURT-SCZZXKLOSA-N 1 1 318.399 -1.868 20 0 DAADMO O=C(Cc1nc[nH]n1)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001437815588 928479070 /nfs/dbraw/zinc/47/90/70/928479070.db2.gz MNMSHVAQJZXZLR-UHFFFAOYSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[N@H+](CCN1CCNC1=O)C1CC1 ZINC001437815588 928479078 /nfs/dbraw/zinc/47/90/78/928479078.db2.gz MNMSHVAQJZXZLR-UHFFFAOYSA-N 1 1 321.385 -1.047 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[N@@H+](CCN1CCNC1=O)C1CC1 ZINC001437815588 928479089 /nfs/dbraw/zinc/47/90/89/928479089.db2.gz MNMSHVAQJZXZLR-UHFFFAOYSA-N 1 1 321.385 -1.047 20 0 DAADMO C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818804 928479177 /nfs/dbraw/zinc/47/91/77/928479177.db2.gz LNFALJKETOUURT-PSASIEDQSA-N 1 1 318.399 -1.868 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001437818804 928479185 /nfs/dbraw/zinc/47/91/85/928479185.db2.gz LNFALJKETOUURT-PSASIEDQSA-N 1 1 318.399 -1.868 20 0 DAADMO Cc1nn(CC(=O)NCC[N@@H+]([C@H](C)C(N)=O)C2CC2)c(=O)n1C ZINC001437817872 928479263 /nfs/dbraw/zinc/47/92/63/928479263.db2.gz UPYFEPKSPQMFQN-SECBINFHSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)NCC[N@H+]([C@H](C)C(N)=O)C2CC2)c(=O)n1C ZINC001437817872 928479270 /nfs/dbraw/zinc/47/92/70/928479270.db2.gz UPYFEPKSPQMFQN-SECBINFHSA-N 1 1 324.385 -1.655 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001437787075 928479352 /nfs/dbraw/zinc/47/93/52/928479352.db2.gz ZAVDQTDGLJILES-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](CC(=O)NC(N)=O)C2CC2)n1 ZINC001437787075 928479359 /nfs/dbraw/zinc/47/93/59/928479359.db2.gz ZAVDQTDGLJILES-UHFFFAOYSA-N 1 1 323.357 -1.313 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001437811535 928479559 /nfs/dbraw/zinc/47/95/59/928479559.db2.gz OIFMVUVOEZCQMO-VIFPVBQESA-N 1 1 311.342 -2.089 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001437811535 928479562 /nfs/dbraw/zinc/47/95/62/928479562.db2.gz OIFMVUVOEZCQMO-VIFPVBQESA-N 1 1 311.342 -2.089 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001437808993 928479625 /nfs/dbraw/zinc/47/96/25/928479625.db2.gz UBVPOSUDOJQNFW-WOPDTQHZSA-N 1 1 308.382 -1.033 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001437808993 928479627 /nfs/dbraw/zinc/47/96/27/928479627.db2.gz UBVPOSUDOJQNFW-WOPDTQHZSA-N 1 1 308.382 -1.033 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001437783967 928479721 /nfs/dbraw/zinc/47/97/21/928479721.db2.gz BNVDUVUFIKUQOF-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001437783967 928479724 /nfs/dbraw/zinc/47/97/24/928479724.db2.gz BNVDUVUFIKUQOF-LLVKDONJSA-N 1 1 307.358 -1.468 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001437807977 928479791 /nfs/dbraw/zinc/47/97/91/928479791.db2.gz UIMCMMNAHMDBTD-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](CCNC(=O)c1cnn(C)n1)C1CC1 ZINC001437807977 928479795 /nfs/dbraw/zinc/47/97/95/928479795.db2.gz UIMCMMNAHMDBTD-MRVPVSSYSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCOCC1=O)c1nncn1C ZINC001437845083 928481328 /nfs/dbraw/zinc/48/13/28/928481328.db2.gz NCKPSUOMFQSZTO-LLVKDONJSA-N 1 1 324.385 -1.217 20 0 DAADMO Cc1nn(CC(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)c(=O)n1C ZINC001437953762 928483718 /nfs/dbraw/zinc/48/37/18/928483718.db2.gz ROUPUHMGYQKHNI-GFCCVEGCSA-N 1 1 311.386 -1.289 20 0 DAADMO O=C(NCC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001437936659 928483796 /nfs/dbraw/zinc/48/37/96/928483796.db2.gz KTRZDVPGTNKWFU-MNOVXSKESA-N 1 1 312.370 -1.205 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001437948773 928484397 /nfs/dbraw/zinc/48/43/97/928484397.db2.gz QCSUFGGNGLNDHV-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001437948769 928484487 /nfs/dbraw/zinc/48/44/87/928484487.db2.gz QCSUFGGNGLNDHV-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(CN1CCNC(=O)C1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001437950175 928484573 /nfs/dbraw/zinc/48/45/73/928484573.db2.gz VOVGDFAOAUSDSH-CYBMUJFWSA-N 1 1 312.414 -1.371 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001437983882 928486915 /nfs/dbraw/zinc/48/69/15/928486915.db2.gz UDQYOMUWNLVTLV-DTWKUNHWSA-N 1 1 323.357 -1.218 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001437990843 928487099 /nfs/dbraw/zinc/48/70/99/928487099.db2.gz YXGSUAIPJHBDJV-JTQLQIEISA-N 1 1 322.369 -1.073 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001437986937 928487198 /nfs/dbraw/zinc/48/71/98/928487198.db2.gz VCFSEAGZYQGHSA-NXEZZACHSA-N 1 1 309.374 -1.132 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001437974144 928487665 /nfs/dbraw/zinc/48/76/65/928487665.db2.gz DTFAPTIHQRDLHW-GFCCVEGCSA-N 1 1 321.385 -1.314 20 0 DAADMO COCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001437976643 928487855 /nfs/dbraw/zinc/48/78/55/928487855.db2.gz MZBHCYSBCFSASO-ZDUSSCGKSA-N 1 1 312.414 -1.155 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1C[NH+](CCC2CC2)C1 ZINC001438086601 928495496 /nfs/dbraw/zinc/49/54/96/928495496.db2.gz ZZNWQZZXLVMEMV-SNVBAGLBSA-N 1 1 321.385 -1.222 20 0 DAADMO CNS(=O)(=O)CC(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001438097300 928496413 /nfs/dbraw/zinc/49/64/13/928496413.db2.gz DYNTWFATHOTJFM-SNVBAGLBSA-N 1 1 305.400 -1.237 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CN(C)C(=O)COC)C1 ZINC001438118145 928497804 /nfs/dbraw/zinc/49/78/04/928497804.db2.gz CNKRPXKPESRRNJ-SNVBAGLBSA-N 1 1 314.386 -1.726 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001438131841 928500832 /nfs/dbraw/zinc/50/08/32/928500832.db2.gz SZDKYCBMFCNRCR-UHFFFAOYSA-N 1 1 304.358 -1.037 20 0 DAADMO CN(C)C(=O)CN1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001438140928 928501856 /nfs/dbraw/zinc/50/18/56/928501856.db2.gz IZBQRPAMZAGYJZ-UHFFFAOYSA-N 1 1 312.414 -1.155 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001438210880 928505886 /nfs/dbraw/zinc/50/58/86/928505886.db2.gz IWSZIXFEYLSDJX-LLVKDONJSA-N 1 1 322.373 -1.721 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001438210280 928506042 /nfs/dbraw/zinc/50/60/42/928506042.db2.gz RFSFZNSWSMNRQP-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001438181561 928506919 /nfs/dbraw/zinc/50/69/19/928506919.db2.gz KICQQNZSGIPIAP-VWYCJHECSA-N 1 1 307.358 -1.517 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001438174763 928507018 /nfs/dbraw/zinc/50/70/18/928507018.db2.gz YLTTXVUISIBTNM-QMMMGPOBSA-N 1 1 321.403 -2.777 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001438193060 928507199 /nfs/dbraw/zinc/50/71/99/928507199.db2.gz BXBKDJBIAWSQBS-DCAQKATOSA-N 1 1 323.415 -1.878 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438211350 928507355 /nfs/dbraw/zinc/50/73/55/928507355.db2.gz HCPNBVNEXQJELL-HBNTYKKESA-N 1 1 311.386 -1.146 20 0 DAADMO O=C(CCn1cnnn1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001438196122 928507578 /nfs/dbraw/zinc/50/75/78/928507578.db2.gz PZXNSGRQOFEFCW-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001438223863 928507979 /nfs/dbraw/zinc/50/79/79/928507979.db2.gz MOKDBYDOJYIOTJ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001438223863 928507989 /nfs/dbraw/zinc/50/79/89/928507989.db2.gz MOKDBYDOJYIOTJ-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001438244729 928508923 /nfs/dbraw/zinc/50/89/23/928508923.db2.gz COXRXYMJKJJCJW-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001438244729 928508932 /nfs/dbraw/zinc/50/89/32/928508932.db2.gz COXRXYMJKJJCJW-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CCN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001438270436 928509274 /nfs/dbraw/zinc/50/92/74/928509274.db2.gz XGHVIKMVRFVAOT-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001438234527 928509306 /nfs/dbraw/zinc/50/93/06/928509306.db2.gz WEPJQJHDMGEKED-QWRGUYRKSA-N 1 1 322.431 -1.392 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001438233337 928509882 /nfs/dbraw/zinc/50/98/82/928509882.db2.gz SKCDUCKOFBFIOJ-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+](CCNC(=O)C2CC2)C1 ZINC001438233233 928510375 /nfs/dbraw/zinc/51/03/75/928510375.db2.gz SDFSBGVNNVVVJO-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001438233233 928510387 /nfs/dbraw/zinc/51/03/87/928510387.db2.gz SDFSBGVNNVVVJO-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001438236524 928511374 /nfs/dbraw/zinc/51/13/74/928511374.db2.gz TVBQLRRBICFEJM-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001438236524 928511380 /nfs/dbraw/zinc/51/13/80/928511380.db2.gz TVBQLRRBICFEJM-RYUDHWBXSA-N 1 1 322.427 -1.039 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncn(C)c1=O)[NH2+]Cc1nonc1C ZINC001438325975 928513275 /nfs/dbraw/zinc/51/32/75/928513275.db2.gz KTZAMJNPEBXCTL-SNVBAGLBSA-N 1 1 323.357 -1.042 20 0 DAADMO CC[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ncnn1CC ZINC001438277174 928514447 /nfs/dbraw/zinc/51/44/47/928514447.db2.gz WOVZITJPGCGKAJ-JTQLQIEISA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)CS(=O)(=O)NC)[NH2+]Cc1ncnn1C ZINC001438376143 928515604 /nfs/dbraw/zinc/51/56/04/928515604.db2.gz SNRMDAOFTHIJFV-SECBINFHSA-N 1 1 318.403 -1.651 20 0 DAADMO CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1nnn(C)n1 ZINC001438542549 928520784 /nfs/dbraw/zinc/52/07/84/928520784.db2.gz YSLMIDGCJNMHAW-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)CN1CCOCC1 ZINC001438652350 928530814 /nfs/dbraw/zinc/53/08/14/928530814.db2.gz ZXRSHVSVTQXZKE-LLVKDONJSA-N 1 1 311.390 -1.521 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001438673646 928530961 /nfs/dbraw/zinc/53/09/61/928530961.db2.gz NHIIHTLSCLUHCX-WPRPVWTQSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001438673640 928532361 /nfs/dbraw/zinc/53/23/61/928532361.db2.gz NHIIHTLSCLUHCX-SCZZXKLOSA-N 1 1 322.373 -1.374 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842144 928535833 /nfs/dbraw/zinc/53/58/33/928535833.db2.gz YGBJNVOHBXDIIY-SECBINFHSA-N 1 1 314.342 -1.152 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842144 928535846 /nfs/dbraw/zinc/53/58/46/928535846.db2.gz YGBJNVOHBXDIIY-SECBINFHSA-N 1 1 314.342 -1.152 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842150 928536385 /nfs/dbraw/zinc/53/63/85/928536385.db2.gz YGBJNVOHBXDIIY-VIFPVBQESA-N 1 1 314.342 -1.152 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCN(C)C(=O)CNC(C)=O ZINC001438849235 928536288 /nfs/dbraw/zinc/53/62/88/928536288.db2.gz ZJBHXGAUSFOHSF-UHFFFAOYSA-N 1 1 301.347 -2.032 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C(=O)CNC(C)=O ZINC001438849235 928536292 /nfs/dbraw/zinc/53/62/92/928536292.db2.gz ZJBHXGAUSFOHSF-UHFFFAOYSA-N 1 1 301.347 -2.032 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001438842150 928536393 /nfs/dbraw/zinc/53/63/93/928536393.db2.gz YGBJNVOHBXDIIY-VIFPVBQESA-N 1 1 314.342 -1.152 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001438869931 928537170 /nfs/dbraw/zinc/53/71/70/928537170.db2.gz CDBOHDOMOSLFRZ-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001438869931 928537175 /nfs/dbraw/zinc/53/71/75/928537175.db2.gz CDBOHDOMOSLFRZ-JTQLQIEISA-N 1 1 300.359 -1.037 20 0 DAADMO CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001438801193 928537673 /nfs/dbraw/zinc/53/76/73/928537673.db2.gz PQRCJPRXUWMQBZ-WDEREUQCSA-N 1 1 323.401 -1.081 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001438869059 928537877 /nfs/dbraw/zinc/53/78/77/928537877.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001438869059 928537879 /nfs/dbraw/zinc/53/78/79/928537879.db2.gz VVCZQYYLAMRBQN-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001438870113 928538007 /nfs/dbraw/zinc/53/80/07/928538007.db2.gz CDBOHDOMOSLFRZ-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001438870113 928538010 /nfs/dbraw/zinc/53/80/10/928538010.db2.gz CDBOHDOMOSLFRZ-SNVBAGLBSA-N 1 1 300.359 -1.037 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001438869445 928538035 /nfs/dbraw/zinc/53/80/35/928538035.db2.gz BDQDDPLLXPLJKA-ZETCQYMHSA-N 1 1 301.303 -2.320 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001438869445 928538039 /nfs/dbraw/zinc/53/80/39/928538039.db2.gz BDQDDPLLXPLJKA-ZETCQYMHSA-N 1 1 301.303 -2.320 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001438874164 928538153 /nfs/dbraw/zinc/53/81/53/928538153.db2.gz QHLGGCMQYSNVHM-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001438874164 928538159 /nfs/dbraw/zinc/53/81/59/928538159.db2.gz QHLGGCMQYSNVHM-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001438919267 928539796 /nfs/dbraw/zinc/53/97/96/928539796.db2.gz QOUOUMJZRVBQFW-GARJFASQSA-N 1 1 314.386 -1.456 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001438919267 928539807 /nfs/dbraw/zinc/53/98/07/928539807.db2.gz QOUOUMJZRVBQFW-GARJFASQSA-N 1 1 314.386 -1.456 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O ZINC001438927304 928540172 /nfs/dbraw/zinc/54/01/72/928540172.db2.gz JFNVBROLFXCGDX-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O ZINC001438927304 928540179 /nfs/dbraw/zinc/54/01/79/928540179.db2.gz JFNVBROLFXCGDX-ZJUUUORDSA-N 1 1 300.359 -1.004 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC001438875120 928540825 /nfs/dbraw/zinc/54/08/25/928540825.db2.gz BERBPHAEDKNEGN-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001438902748 928541235 /nfs/dbraw/zinc/54/12/35/928541235.db2.gz UZKMDCIHJGTHQE-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO COC1CC(C(=O)N(C)CC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001438886075 928541658 /nfs/dbraw/zinc/54/16/58/928541658.db2.gz FQMOEIQHUZYWRH-UHFFFAOYSA-N 1 1 300.359 -1.004 20 0 DAADMO COC1CC(C(=O)N(C)CC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001438886075 928541665 /nfs/dbraw/zinc/54/16/65/928541665.db2.gz FQMOEIQHUZYWRH-UHFFFAOYSA-N 1 1 300.359 -1.004 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)s1 ZINC001438952905 928543120 /nfs/dbraw/zinc/54/31/20/928543120.db2.gz FYSJOGJAGUWCGF-GMSGAONNSA-N 1 1 315.399 -1.062 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001438962816 928546039 /nfs/dbraw/zinc/54/60/39/928546039.db2.gz AYABUMSWFCEXJN-JTQLQIEISA-N 1 1 311.342 -1.292 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)[nH]n1 ZINC001438968037 928546955 /nfs/dbraw/zinc/54/69/55/928546955.db2.gz DJZPMZLWGJTRSA-PSASIEDQSA-N 1 1 322.373 -1.063 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2ncccn2)C1 ZINC001438968962 928548229 /nfs/dbraw/zinc/54/82/29/928548229.db2.gz KZIVDHGZWFFHIA-VXGBXAGGSA-N 1 1 309.370 -1.626 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNCc2ncccn2)C1 ZINC001438968962 928548243 /nfs/dbraw/zinc/54/82/43/928548243.db2.gz KZIVDHGZWFFHIA-VXGBXAGGSA-N 1 1 309.370 -1.626 20 0 DAADMO Cc1cc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001438973461 928550082 /nfs/dbraw/zinc/55/00/82/928550082.db2.gz TWZMXLIWNANPNF-JTQLQIEISA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1cnn(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)n2)c1 ZINC001438973375 928550369 /nfs/dbraw/zinc/55/03/69/928550369.db2.gz TZTWUTXWCPMUGJ-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1cc(CC(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)no1 ZINC001438973469 928550870 /nfs/dbraw/zinc/55/08/70/928550870.db2.gz TWZMXLIWNANPNF-SNVBAGLBSA-N 1 1 309.330 -1.684 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)c1nnnn1C ZINC001438980547 928552400 /nfs/dbraw/zinc/55/24/00/928552400.db2.gz YWQITIPGCJWECM-WPRPVWTQSA-N 1 1 313.362 -2.184 20 0 DAADMO Cc1ccnc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001438975470 928552602 /nfs/dbraw/zinc/55/26/02/928552602.db2.gz AGSPLDUXTBGFGS-VHSXEESVSA-N 1 1 320.357 -1.250 20 0 DAADMO Cc1ccnc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)n1 ZINC001438975472 928552704 /nfs/dbraw/zinc/55/27/04/928552704.db2.gz AGSPLDUXTBGFGS-ZJUUUORDSA-N 1 1 320.357 -1.250 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H](O)CNC(=O)c2cncnc2)n1 ZINC001438982162 928555763 /nfs/dbraw/zinc/55/57/63/928555763.db2.gz KJUNQZHDYUEZHB-GFCCVEGCSA-N 1 1 305.342 -1.032 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)c2ncn(C)n2)n1 ZINC001438983388 928555955 /nfs/dbraw/zinc/55/59/55/928555955.db2.gz MIXYITQPIGBXPD-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CCn2ccnn2)[nH]1 ZINC001438983597 928556486 /nfs/dbraw/zinc/55/64/86/928556486.db2.gz SZSWLCGGEULWMJ-JTQLQIEISA-N 1 1 308.346 -1.638 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c2cnnn2C)[nH]1 ZINC001438987267 928558353 /nfs/dbraw/zinc/55/83/53/928558353.db2.gz VTHOBYPITDXLLD-RKDXNWHRSA-N 1 1 322.373 -1.063 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001438988073 928559889 /nfs/dbraw/zinc/55/98/89/928559889.db2.gz YAVIPGZVIZNQKF-LLVKDONJSA-N 1 1 324.385 -1.329 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2nnnn2C)CC[N@H+]1C ZINC001438989955 928562447 /nfs/dbraw/zinc/56/24/47/928562447.db2.gz JLXZBIOOBFYAEA-GMTAPVOTSA-N 1 1 311.390 -1.883 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001438994216 928563573 /nfs/dbraw/zinc/56/35/73/928563573.db2.gz BESPPKOLZFJQDY-MRVPVSSYSA-N 1 1 308.346 -1.624 20 0 DAADMO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1n[nH]c(C)n1 ZINC001438993251 928564612 /nfs/dbraw/zinc/56/46/12/928564612.db2.gz LRYFXRVLYOEOCW-JTQLQIEISA-N 1 1 312.374 -1.799 20 0 DAADMO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2c1CCC2 ZINC001438993986 928565231 /nfs/dbraw/zinc/56/52/31/928565231.db2.gz AIBSNKAGZQQIHW-VHSXEESVSA-N 1 1 312.370 -1.414 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001439001025 928566056 /nfs/dbraw/zinc/56/60/56/928566056.db2.gz LQVZEZSYHPWUFI-UWVGGRQHSA-N 1 1 311.342 -1.529 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)c2)n[nH]1 ZINC001438998326 928567240 /nfs/dbraw/zinc/56/72/40/928567240.db2.gz QZYQMKZKDUJCQW-NSHDSACASA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCN(C)C2=O)n[nH]1 ZINC001438996601 928567897 /nfs/dbraw/zinc/56/78/97/928567897.db2.gz PSDKGMTYGHZDMK-WDEREUQCSA-N 1 1 324.385 -1.657 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)c2)n[nH]1 ZINC001438998320 928568035 /nfs/dbraw/zinc/56/80/35/928568035.db2.gz QZYQMKZKDUJCQW-LLVKDONJSA-N 1 1 307.358 -1.344 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001439004438 928569706 /nfs/dbraw/zinc/56/97/06/928569706.db2.gz DMBAJNBQYAAYLQ-LLVKDONJSA-N 1 1 321.337 -1.043 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)c2nnn(C)n2)n1 ZINC001439019383 928578088 /nfs/dbraw/zinc/57/80/88/928578088.db2.gz XCPWIQLCUCOTPV-SECBINFHSA-N 1 1 306.330 -1.811 20 0 DAADMO Cc1ncccc1C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001439019405 928578250 /nfs/dbraw/zinc/57/82/50/928578250.db2.gz VHYGGYIGULBTAF-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CCn1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)n1 ZINC001439030339 928582757 /nfs/dbraw/zinc/58/27/57/928582757.db2.gz FSCAYYGQBWYVPK-VHSXEESVSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)c(=O)[nH]1 ZINC001439031138 928583286 /nfs/dbraw/zinc/58/32/86/928583286.db2.gz YJVLRPUOIHKHTH-VIFPVBQESA-N 1 1 321.341 -1.500 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cn(C)c(=O)[nH]2)nn1 ZINC001439027539 928583775 /nfs/dbraw/zinc/58/37/75/928583775.db2.gz RHFKIECZWRTIJC-JTQLQIEISA-N 1 1 323.357 -1.382 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001439026234 928583798 /nfs/dbraw/zinc/58/37/98/928583798.db2.gz JRPJMXYDEOCHCS-NSHDSACASA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439032441 928584623 /nfs/dbraw/zinc/58/46/23/928584623.db2.gz MJJOEBPYDHWQRV-VHSXEESVSA-N 1 1 311.342 -1.387 20 0 DAADMO CCc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n(C)n1 ZINC001439034984 928584666 /nfs/dbraw/zinc/58/46/66/928584666.db2.gz PEMZXWZEAXDWCG-GFCCVEGCSA-N 1 1 321.385 -1.009 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439042308 928587411 /nfs/dbraw/zinc/58/74/11/928587411.db2.gz QAKUTGLLNJXMFX-VHSXEESVSA-N 1 1 312.374 -1.260 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439042308 928587422 /nfs/dbraw/zinc/58/74/22/928587422.db2.gz QAKUTGLLNJXMFX-VHSXEESVSA-N 1 1 312.374 -1.260 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1ncnn1CCF)c1ccncn1 ZINC001439043160 928589019 /nfs/dbraw/zinc/58/90/19/928589019.db2.gz RHAUNIRFLUYFDF-JTQLQIEISA-N 1 1 323.332 -1.082 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1ccncn1 ZINC001439039865 928589206 /nfs/dbraw/zinc/58/92/06/928589206.db2.gz LNUQDNXSSKUOMX-JTQLQIEISA-N 1 1 320.357 -1.246 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001439039864 928589698 /nfs/dbraw/zinc/58/96/98/928589698.db2.gz MHFPGNKLFMMBQK-SNVBAGLBSA-N 1 1 319.369 -1.093 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cccnn1)c1nnnn1C ZINC001439046399 928591016 /nfs/dbraw/zinc/59/10/16/928591016.db2.gz WPQWDXGLGDVYQD-RKDXNWHRSA-N 1 1 306.330 -1.558 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)[C@@H]1CCc2nncn2C1 ZINC001439062914 928595873 /nfs/dbraw/zinc/59/58/73/928595873.db2.gz XRXOFLOVWWWJPO-KOLCDFICSA-N 1 1 321.341 -1.510 20 0 DAADMO CCN(CC[NH2+][C@H](C)c1nncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001439079367 928596983 /nfs/dbraw/zinc/59/69/83/928596983.db2.gz OAHVVBBOXAZBPJ-NXEZZACHSA-N 1 1 309.374 -1.004 20 0 DAADMO C[C@H](C[NH2+]Cc1ncnn1C)NC(=O)CN1CCCNC1=O ZINC001439123245 928599612 /nfs/dbraw/zinc/59/96/12/928599612.db2.gz IZBVKCKQZYUPIX-SNVBAGLBSA-N 1 1 309.374 -1.175 20 0 DAADMO C[C@H](C[NH2+][C@H](C)c1nnnn1C)NC(=O)[C@H]1CCC(=O)N1C ZINC001439151945 928601631 /nfs/dbraw/zinc/60/16/31/928601631.db2.gz SRWCXSVLNXPPMV-OPRDCNLKSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)CN1CCNC(=O)C1 ZINC001439140543 928601730 /nfs/dbraw/zinc/60/17/30/928601730.db2.gz XTTOBTICOMRZTA-SECBINFHSA-N 1 1 310.362 -2.764 20 0 DAADMO C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCCS(N)(=O)=O ZINC001439147815 928602331 /nfs/dbraw/zinc/60/23/31/928602331.db2.gz QFKKGMJHZQQQPD-SECBINFHSA-N 1 1 318.403 -1.522 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001439129561 928602642 /nfs/dbraw/zinc/60/26/42/928602642.db2.gz TVQUZPQAFQDHOI-ZJUUUORDSA-N 1 1 309.374 -1.137 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001439197421 928604398 /nfs/dbraw/zinc/60/43/98/928604398.db2.gz FACQXZJXCWCIFY-CMPLNLGQSA-N 1 1 323.401 -1.067 20 0 DAADMO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439167840 928604915 /nfs/dbraw/zinc/60/49/15/928604915.db2.gz BYHYMNXIGNDIDS-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CN1CCOCC1 ZINC001439180422 928605025 /nfs/dbraw/zinc/60/50/25/928605025.db2.gz YXYUEEICTHGFTN-VXGBXAGGSA-N 1 1 300.403 -1.205 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ncn[nH]1 ZINC001439162778 928605395 /nfs/dbraw/zinc/60/53/95/928605395.db2.gz VLNYDITZUYWKPS-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)c1nc[nH]n1 ZINC001439162778 928605406 /nfs/dbraw/zinc/60/54/06/928605406.db2.gz VLNYDITZUYWKPS-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001439229290 928608235 /nfs/dbraw/zinc/60/82/35/928608235.db2.gz CYYAUTPKUVWBCI-VHSXEESVSA-N 1 1 315.399 -1.156 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001439284265 928609307 /nfs/dbraw/zinc/60/93/07/928609307.db2.gz YXYUEEICTHGFTN-RYUDHWBXSA-N 1 1 300.403 -1.205 20 0 DAADMO C[C@@H](C[NH2+]Cc1ncnn1C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001439282440 928609338 /nfs/dbraw/zinc/60/93/38/928609338.db2.gz MEWZRRQOHMJLAZ-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnnn1C ZINC001439283212 928609587 /nfs/dbraw/zinc/60/95/87/928609587.db2.gz DKTGEJDUURHVDT-IUCAKERBSA-N 1 1 318.403 -1.200 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439261378 928610938 /nfs/dbraw/zinc/61/09/38/928610938.db2.gz YOWWVLWPLBEDQD-XPUUQOCRSA-N 1 1 310.314 -1.430 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325721 928612804 /nfs/dbraw/zinc/61/28/04/928612804.db2.gz AJAMGGJTJJPTCN-GHMZBOCLSA-N 1 1 316.402 -1.338 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001439325721 928612812 /nfs/dbraw/zinc/61/28/12/928612812.db2.gz AJAMGGJTJJPTCN-GHMZBOCLSA-N 1 1 316.402 -1.338 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330555 928613736 /nfs/dbraw/zinc/61/37/36/928613736.db2.gz LSDDPQWERGGQNO-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCNS(C)(=O)=O ZINC001439330555 928613743 /nfs/dbraw/zinc/61/37/43/928613743.db2.gz LSDDPQWERGGQNO-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439306334 928614270 /nfs/dbraw/zinc/61/42/70/928614270.db2.gz SJXWLFQDPNRQPL-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001439333802 928616108 /nfs/dbraw/zinc/61/61/08/928616108.db2.gz TVVSBXJYNCLUJZ-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001439333806 928616226 /nfs/dbraw/zinc/61/62/26/928616226.db2.gz TVVSBXJYNCLUJZ-QWRGUYRKSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001439362114 928616703 /nfs/dbraw/zinc/61/67/03/928616703.db2.gz BCNDEMGBTWOIEC-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001439362114 928616709 /nfs/dbraw/zinc/61/67/09/928616709.db2.gz BCNDEMGBTWOIEC-QMMMGPOBSA-N 1 1 305.342 -1.101 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001439349683 928617093 /nfs/dbraw/zinc/61/70/93/928617093.db2.gz AGHXMYGYKGPGJG-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001439349683 928617099 /nfs/dbraw/zinc/61/70/99/928617099.db2.gz AGHXMYGYKGPGJG-IUCAKERBSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001439359757 928617131 /nfs/dbraw/zinc/61/71/31/928617131.db2.gz FFLZYNQLTCKSMJ-QMMMGPOBSA-N 1 1 319.391 -2.191 20 0 DAADMO C[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)c1nnn(C)n1 ZINC001439359757 928617137 /nfs/dbraw/zinc/61/71/37/928617137.db2.gz FFLZYNQLTCKSMJ-QMMMGPOBSA-N 1 1 319.391 -2.191 20 0 DAADMO C[C@H](C[N@@H+](C)CCO)NC(=O)CN1CCCCS1(=O)=O ZINC001439361352 928617206 /nfs/dbraw/zinc/61/72/06/928617206.db2.gz YCLHIOICAYOBFA-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](C[N@@H+](C)CCO)NC(=O)CN1CCCCS1(=O)=O ZINC001439361361 928617270 /nfs/dbraw/zinc/61/72/70/928617270.db2.gz YCLHIOICAYOBFA-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001439405471 928618113 /nfs/dbraw/zinc/61/81/13/928618113.db2.gz JBCXBDQSENLJAR-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001439405471 928618124 /nfs/dbraw/zinc/61/81/24/928618124.db2.gz JBCXBDQSENLJAR-MRVPVSSYSA-N 1 1 311.346 -2.441 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400232 928619015 /nfs/dbraw/zinc/61/90/15/928619015.db2.gz SBKQQWBAJPWWTQ-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439400232 928619022 /nfs/dbraw/zinc/61/90/22/928619022.db2.gz SBKQQWBAJPWWTQ-ZJUUUORDSA-N 1 1 309.370 -1.035 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ccnc1 ZINC001439400235 928619686 /nfs/dbraw/zinc/61/96/86/928619686.db2.gz AQHIPQVLDJEENB-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)Cn1ccnc1 ZINC001439400235 928619690 /nfs/dbraw/zinc/61/96/90/928619690.db2.gz AQHIPQVLDJEENB-LLVKDONJSA-N 1 1 317.415 -1.131 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001439460850 928621502 /nfs/dbraw/zinc/62/15/02/928621502.db2.gz YBRYEXTXCJQUNJ-LBPRGKRZSA-N 1 1 323.353 -1.087 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514526 928622783 /nfs/dbraw/zinc/62/27/83/928622783.db2.gz NHLXEDPADGAAPU-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)Cn2cnnn2)C1=O ZINC001439514526 928622792 /nfs/dbraw/zinc/62/27/92/928622792.db2.gz NHLXEDPADGAAPU-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439523083 928625466 /nfs/dbraw/zinc/62/54/66/928625466.db2.gz KBJNBIBICGEUBY-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO COCC[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001439556487 928628785 /nfs/dbraw/zinc/62/87/85/928628785.db2.gz GKSNATUCQJJERW-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001439548017 928629230 /nfs/dbraw/zinc/62/92/30/928629230.db2.gz IOQWSNZDVUKFDX-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563799 928630462 /nfs/dbraw/zinc/63/04/62/928630462.db2.gz FGQOKLFPCGYHNM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCNC(N)=O)C1=O ZINC001439563799 928630468 /nfs/dbraw/zinc/63/04/68/928630468.db2.gz FGQOKLFPCGYHNM-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001439564246 928631236 /nfs/dbraw/zinc/63/12/36/928631236.db2.gz UCYWHWYQNGBMLX-MNOVXSKESA-N 1 1 309.374 -1.223 20 0 DAADMO Cn1cc(CC(=O)NCC2([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)cn1 ZINC001439591389 928634020 /nfs/dbraw/zinc/63/40/20/928634020.db2.gz BKGBWPNVTWZKQY-UHFFFAOYSA-N 1 1 319.369 -1.177 20 0 DAADMO NC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001439605518 928634227 /nfs/dbraw/zinc/63/42/27/928634227.db2.gz SCTPWKJIZZAIAX-LLVKDONJSA-N 1 1 323.397 -1.239 20 0 DAADMO C[NH+](C)CC1(C(=O)NCC2(NCC(=O)NC(N)=O)CC2)CC1 ZINC001439642101 928636445 /nfs/dbraw/zinc/63/64/45/928636445.db2.gz XWVIEDCTOWCOQA-UHFFFAOYSA-N 1 1 311.386 -1.239 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439725026 928638295 /nfs/dbraw/zinc/63/82/95/928638295.db2.gz ICTOPPPCXKOIKN-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CCC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001439725212 928638634 /nfs/dbraw/zinc/63/86/34/928638634.db2.gz FOCCGNDJYGPREG-NSHDSACASA-N 1 1 323.415 -1.924 20 0 DAADMO CNC(=O)NC(=O)CN1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001439755283 928640898 /nfs/dbraw/zinc/64/08/98/928640898.db2.gz MFAFYRQVFYSXHO-UHFFFAOYSA-N 1 1 322.369 -1.210 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001439849637 928645511 /nfs/dbraw/zinc/64/55/11/928645511.db2.gz MMKHSCFDWNDXHK-CQSZACIVSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@@]1(NC(=O)CCn2cnnn2)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001439849637 928645517 /nfs/dbraw/zinc/64/55/17/928645517.db2.gz MMKHSCFDWNDXHK-CQSZACIVSA-N 1 1 321.385 -1.078 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439843247 928645649 /nfs/dbraw/zinc/64/56/49/928645649.db2.gz AKHNOXFBOOSAFE-CYBMUJFWSA-N 1 1 313.358 -2.695 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439843247 928645657 /nfs/dbraw/zinc/64/56/57/928645657.db2.gz AKHNOXFBOOSAFE-CYBMUJFWSA-N 1 1 313.358 -2.695 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cnnn2)C1 ZINC001439844435 928646229 /nfs/dbraw/zinc/64/62/29/928646229.db2.gz DONYXZZRYQOOJT-DGCLKSJQSA-N 1 1 312.374 -1.349 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)CCOC)CC2)C1 ZINC001439829570 928646307 /nfs/dbraw/zinc/64/63/07/928646307.db2.gz MWGNUJQZIFEJBP-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001439848777 928646697 /nfs/dbraw/zinc/64/66/97/928646697.db2.gz IQQKDXVHBOQROH-PWSUYJOCSA-N 1 1 307.416 -1.113 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCn2cnnn2)C1 ZINC001439844437 928646860 /nfs/dbraw/zinc/64/68/60/928646860.db2.gz DONYXZZRYQOOJT-YPMHNXCESA-N 1 1 312.374 -1.349 20 0 DAADMO CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)Cn3cnnn3)C2)C1=O ZINC001439833840 928646946 /nfs/dbraw/zinc/64/69/46/928646946.db2.gz FWURBNTVRPJTIL-FZMZJTMJSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(CC(=O)NC(N)=O)C1 ZINC001439837452 928647021 /nfs/dbraw/zinc/64/70/21/928647021.db2.gz YJYUCEFEKZBMGG-HZMBPMFUSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001439844636 928647096 /nfs/dbraw/zinc/64/70/96/928647096.db2.gz MEQURIFYAOULQQ-JQWIXIFHSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001439860585 928648081 /nfs/dbraw/zinc/64/80/81/928648081.db2.gz ZHLQJWNMMKRAGM-HZMBPMFUSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439859825 928648136 /nfs/dbraw/zinc/64/81/36/928648136.db2.gz TVEKYNSNINMHQP-SAOAKYDJSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@]1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439859825 928648141 /nfs/dbraw/zinc/64/81/41/928648141.db2.gz TVEKYNSNINMHQP-SAOAKYDJSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@]1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCC[N@@H+](CCO)C1 ZINC001439934269 928648500 /nfs/dbraw/zinc/64/85/00/928648500.db2.gz DTMVINUWFGTKOH-HZMBPMFUSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001439860588 928648968 /nfs/dbraw/zinc/64/89/68/928648968.db2.gz ZHLQJWNMMKRAGM-QMTHXVAHSA-N 1 1 310.354 -1.090 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2ncc[nH]2)C1 ZINC001439857802 928649297 /nfs/dbraw/zinc/64/92/97/928649297.db2.gz YWNDJTWSDOIFBL-CQSZACIVSA-N 1 1 322.369 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cc2ncc[nH]2)C1 ZINC001439857802 928649309 /nfs/dbraw/zinc/64/93/09/928649309.db2.gz YWNDJTWSDOIFBL-CQSZACIVSA-N 1 1 322.369 -1.012 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cnsn1 ZINC001439976254 928650570 /nfs/dbraw/zinc/65/05/70/928650570.db2.gz CQJXFUZJKSEGTK-GFCCVEGCSA-N 1 1 323.382 -1.004 20 0 DAADMO Nc1nccnc1C(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439977317 928650671 /nfs/dbraw/zinc/65/06/71/928650671.db2.gz DVUGDZAUTSESII-LKFCYVNXSA-N 1 1 320.353 -1.886 20 0 DAADMO Nc1nccnc1C(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439977317 928650676 /nfs/dbraw/zinc/65/06/76/928650676.db2.gz DVUGDZAUTSESII-LKFCYVNXSA-N 1 1 320.353 -1.886 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001439977451 928650890 /nfs/dbraw/zinc/65/08/90/928650890.db2.gz FRIIYBOFKCONFD-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001439977451 928650896 /nfs/dbraw/zinc/65/08/96/928650896.db2.gz FRIIYBOFKCONFD-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439974070 928651908 /nfs/dbraw/zinc/65/19/08/928651908.db2.gz LLNFCWFOPGIQQI-CQSZACIVSA-N 1 1 323.353 -1.515 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001439974070 928651915 /nfs/dbraw/zinc/65/19/15/928651915.db2.gz LLNFCWFOPGIQQI-CQSZACIVSA-N 1 1 323.353 -1.515 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001439977320 928652437 /nfs/dbraw/zinc/65/24/37/928652437.db2.gz DVUGDZAUTSESII-OTYXRUKQSA-N 1 1 320.353 -1.886 20 0 DAADMO Nc1nccnc1C(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001439977320 928652441 /nfs/dbraw/zinc/65/24/41/928652441.db2.gz DVUGDZAUTSESII-OTYXRUKQSA-N 1 1 320.353 -1.886 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439980298 928653292 /nfs/dbraw/zinc/65/32/92/928653292.db2.gz YWLLZCYWLPPJTK-ZDUSSCGKSA-N 1 1 300.359 -2.236 20 0 DAADMO CC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439980298 928653298 /nfs/dbraw/zinc/65/32/98/928653298.db2.gz YWLLZCYWLPPJTK-ZDUSSCGKSA-N 1 1 300.359 -2.236 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001439979613 928653466 /nfs/dbraw/zinc/65/34/66/928653466.db2.gz HNFYIFUHZLUGGO-FZMZJTMJSA-N 1 1 324.385 -1.644 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001439980642 928653690 /nfs/dbraw/zinc/65/36/90/928653690.db2.gz UYNQOAPOFZMCIF-ABAIWWIYSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001439980642 928653696 /nfs/dbraw/zinc/65/36/96/928653696.db2.gz UYNQOAPOFZMCIF-ABAIWWIYSA-N 1 1 323.397 -1.002 20 0 DAADMO CO[C@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001439980213 928653739 /nfs/dbraw/zinc/65/37/39/928653739.db2.gz IKKOKTAQZYHXJG-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO CO[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001439980213 928653743 /nfs/dbraw/zinc/65/37/43/928653743.db2.gz IKKOKTAQZYHXJG-ZYHUDNBSSA-N 1 1 323.415 -1.877 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439982698 928653884 /nfs/dbraw/zinc/65/38/84/928653884.db2.gz OEEJMBDWISQSOF-DOMZBBRYSA-N 1 1 321.381 -1.248 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439982698 928653888 /nfs/dbraw/zinc/65/38/88/928653888.db2.gz OEEJMBDWISQSOF-DOMZBBRYSA-N 1 1 321.381 -1.248 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@]1(O)CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001439980205 928654220 /nfs/dbraw/zinc/65/42/20/928654220.db2.gz IKKOKTAQZYHXJG-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CO[C@@H](C)C(=O)NC[C@]1(O)CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001439980205 928654227 /nfs/dbraw/zinc/65/42/27/928654227.db2.gz IKKOKTAQZYHXJG-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO CC(C)(F)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001439979575 928654240 /nfs/dbraw/zinc/65/42/40/928654240.db2.gz XZHZIPVBALIAGV-LBPRGKRZSA-N 1 1 304.322 -1.518 20 0 DAADMO CC(C)(F)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001439979575 928654247 /nfs/dbraw/zinc/65/42/47/928654247.db2.gz XZHZIPVBALIAGV-LBPRGKRZSA-N 1 1 304.322 -1.518 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001439978219 928654540 /nfs/dbraw/zinc/65/45/40/928654540.db2.gz WEOVGPKYROSRCW-TVQRCGJNSA-N 1 1 300.359 -1.077 20 0 DAADMO CCCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001439978219 928654547 /nfs/dbraw/zinc/65/45/47/928654547.db2.gz WEOVGPKYROSRCW-TVQRCGJNSA-N 1 1 300.359 -1.077 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccnn2C)C1 ZINC001439980707 928654675 /nfs/dbraw/zinc/65/46/75/928654675.db2.gz UYNQOAPOFZMCIF-NHYWBVRUSA-N 1 1 323.397 -1.002 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccnn2C)C1 ZINC001439980707 928654680 /nfs/dbraw/zinc/65/46/80/928654680.db2.gz UYNQOAPOFZMCIF-NHYWBVRUSA-N 1 1 323.397 -1.002 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001439979280 928654695 /nfs/dbraw/zinc/65/46/95/928654695.db2.gz XAODCJGASQTTPI-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@](O)(CNC(=O)CC2CC2)C1 ZINC001439979280 928654703 /nfs/dbraw/zinc/65/47/03/928654703.db2.gz XAODCJGASQTTPI-ZDUSSCGKSA-N 1 1 319.427 -1.111 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001439979636 928655057 /nfs/dbraw/zinc/65/50/57/928655057.db2.gz HNFYIFUHZLUGGO-SMDDNHRTSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C2=COCCO2)C1 ZINC001439977858 928655330 /nfs/dbraw/zinc/65/53/30/928655330.db2.gz PHJRTUGMHMRCQB-YGRLFVJLSA-N 1 1 313.354 -1.309 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439983023 928655505 /nfs/dbraw/zinc/65/55/05/928655505.db2.gz OTAHZTXFNFMESV-RISCZKNCSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439983023 928655513 /nfs/dbraw/zinc/65/55/13/928655513.db2.gz OTAHZTXFNFMESV-RISCZKNCSA-N 1 1 322.369 -1.853 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001439986123 928656505 /nfs/dbraw/zinc/65/65/05/928656505.db2.gz AKLIHDUMPNFNEK-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001439986123 928656516 /nfs/dbraw/zinc/65/65/16/928656516.db2.gz AKLIHDUMPNFNEK-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001439984433 928656670 /nfs/dbraw/zinc/65/66/70/928656670.db2.gz PATTWZIPGACWMK-CQSZACIVSA-N 1 1 314.386 -1.894 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001439984433 928656673 /nfs/dbraw/zinc/65/66/73/928656673.db2.gz PATTWZIPGACWMK-CQSZACIVSA-N 1 1 314.386 -1.894 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001439984583 928657348 /nfs/dbraw/zinc/65/73/48/928657348.db2.gz SMHFMZCMEMQSTL-SMDDNHRTSA-N 1 1 324.385 -1.472 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001439984583 928657357 /nfs/dbraw/zinc/65/73/57/928657357.db2.gz SMHFMZCMEMQSTL-SMDDNHRTSA-N 1 1 324.385 -1.472 20 0 DAADMO CCC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001439984140 928657785 /nfs/dbraw/zinc/65/77/85/928657785.db2.gz YTBATQMGKHKBHF-SWLSCSKDSA-N 1 1 313.398 -1.067 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001439985617 928658411 /nfs/dbraw/zinc/65/84/11/928658411.db2.gz RTOILNQUWHJUJU-QPUJVOFHSA-N 1 1 302.331 -2.231 20 0 DAADMO COC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001439985617 928658417 /nfs/dbraw/zinc/65/84/17/928658417.db2.gz RTOILNQUWHJUJU-QPUJVOFHSA-N 1 1 302.331 -2.231 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)c1cn[nH]c1 ZINC001439985343 928658642 /nfs/dbraw/zinc/65/86/42/928658642.db2.gz RHHQPDOYUUJMOF-CYBMUJFWSA-N 1 1 305.342 -1.132 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001439986167 928658666 /nfs/dbraw/zinc/65/86/66/928658666.db2.gz BPEXMRSPLHLGIP-CYBMUJFWSA-N 1 1 305.342 -1.095 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@](O)(CNC(=O)c2ncc[nH]2)C1 ZINC001439986167 928658671 /nfs/dbraw/zinc/65/86/71/928658671.db2.gz BPEXMRSPLHLGIP-CYBMUJFWSA-N 1 1 305.342 -1.095 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001439988802 928659437 /nfs/dbraw/zinc/65/94/37/928659437.db2.gz JNTYKASKPPRBEU-CYBMUJFWSA-N 1 1 301.343 -2.610 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001439993995 928659475 /nfs/dbraw/zinc/65/94/75/928659475.db2.gz ZGAKBYMZNGUPJX-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001439993995 928659478 /nfs/dbraw/zinc/65/94/78/928659478.db2.gz ZGAKBYMZNGUPJX-IINYFYTJSA-N 1 1 312.370 -2.188 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995258 928659513 /nfs/dbraw/zinc/65/95/13/928659513.db2.gz XGJZVHOMLDLUTP-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1)c1cnc[nH]c1=O ZINC001439995258 928659523 /nfs/dbraw/zinc/65/95/23/928659523.db2.gz XGJZVHOMLDLUTP-YGRLFVJLSA-N 1 1 321.337 -1.763 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001439992783 928659792 /nfs/dbraw/zinc/65/97/92/928659792.db2.gz OINRFQZLSIACOA-AWEZNQCLSA-N 1 1 309.370 -1.738 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001439992783 928659799 /nfs/dbraw/zinc/65/97/99/928659799.db2.gz OINRFQZLSIACOA-AWEZNQCLSA-N 1 1 309.370 -1.738 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001439992787 928659817 /nfs/dbraw/zinc/65/98/17/928659817.db2.gz OINRFQZLSIACOA-CQSZACIVSA-N 1 1 309.370 -1.738 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccn(C)n2)C1 ZINC001439992787 928659826 /nfs/dbraw/zinc/65/98/26/928659826.db2.gz OINRFQZLSIACOA-CQSZACIVSA-N 1 1 309.370 -1.738 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001439995198 928660009 /nfs/dbraw/zinc/66/00/09/928660009.db2.gz BTBAYGGOFGOEJH-QMTHXVAHSA-N 1 1 320.353 -1.328 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001439991545 928660495 /nfs/dbraw/zinc/66/04/95/928660495.db2.gz JTHNDVRYZCMVJY-AWEZNQCLSA-N 1 1 309.370 -1.447 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001439991545 928660507 /nfs/dbraw/zinc/66/05/07/928660507.db2.gz JTHNDVRYZCMVJY-AWEZNQCLSA-N 1 1 309.370 -1.447 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992367 928660602 /nfs/dbraw/zinc/66/06/02/928660602.db2.gz LHFYQBONUDWULA-AWEZNQCLSA-N 1 1 323.353 -2.307 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992367 928660614 /nfs/dbraw/zinc/66/06/14/928660614.db2.gz LHFYQBONUDWULA-AWEZNQCLSA-N 1 1 323.353 -2.307 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)n1 ZINC001439991547 928660682 /nfs/dbraw/zinc/66/06/82/928660682.db2.gz JTHNDVRYZCMVJY-CQSZACIVSA-N 1 1 309.370 -1.447 20 0 DAADMO CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)n1 ZINC001439991547 928660685 /nfs/dbraw/zinc/66/06/85/928660685.db2.gz JTHNDVRYZCMVJY-CQSZACIVSA-N 1 1 309.370 -1.447 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001439992435 928660827 /nfs/dbraw/zinc/66/08/27/928660827.db2.gz LZSUQEDBNSJBME-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001439989494 928661130 /nfs/dbraw/zinc/66/11/30/928661130.db2.gz LYRDHHRDTCZBOE-TVQRCGJNSA-N 1 1 313.358 -2.643 20 0 DAADMO CNC(=O)NCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001439989494 928661133 /nfs/dbraw/zinc/66/11/33/928661133.db2.gz LYRDHHRDTCZBOE-TVQRCGJNSA-N 1 1 313.358 -2.643 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001439991999 928661149 /nfs/dbraw/zinc/66/11/49/928661149.db2.gz OAJHNVJFAUCWDC-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1ncc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001439991999 928661152 /nfs/dbraw/zinc/66/11/52/928661152.db2.gz OAJHNVJFAUCWDC-TVQRCGJNSA-N 1 1 310.358 -1.662 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001439993994 928661262 /nfs/dbraw/zinc/66/12/62/928661262.db2.gz ZGAKBYMZNGUPJX-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001439993994 928661265 /nfs/dbraw/zinc/66/12/65/928661265.db2.gz ZGAKBYMZNGUPJX-HZMBPMFUSA-N 1 1 312.370 -2.188 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001439992001 928661275 /nfs/dbraw/zinc/66/12/75/928661275.db2.gz OAJHNVJFAUCWDC-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1ncc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001439992001 928661293 /nfs/dbraw/zinc/66/12/93/928661293.db2.gz OAJHNVJFAUCWDC-ZANVPECISA-N 1 1 310.358 -1.662 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001440004669 928662570 /nfs/dbraw/zinc/66/25/70/928662570.db2.gz PJNMDHRYVYURHX-GFCCVEGCSA-N 1 1 324.399 -2.407 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001440004669 928662579 /nfs/dbraw/zinc/66/25/79/928662579.db2.gz PJNMDHRYVYURHX-GFCCVEGCSA-N 1 1 324.399 -2.407 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1ccc2nnnn2c1 ZINC001440003898 928662918 /nfs/dbraw/zinc/66/29/18/928662918.db2.gz UWTZEVPUFYLTGO-CYBMUJFWSA-N 1 1 306.326 -1.717 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001440000832 928663048 /nfs/dbraw/zinc/66/30/48/928663048.db2.gz OBHLWWMRAGECAI-AWEZNQCLSA-N 1 1 320.353 -1.063 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007481 928663300 /nfs/dbraw/zinc/66/33/00/928663300.db2.gz KITCEHZUQXAAFF-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC001440007481 928663303 /nfs/dbraw/zinc/66/33/03/928663303.db2.gz KITCEHZUQXAAFF-YGRLFVJLSA-N 1 1 307.354 -1.222 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001440004675 928663312 /nfs/dbraw/zinc/66/33/12/928663312.db2.gz PJNMDHRYVYURHX-LBPRGKRZSA-N 1 1 324.399 -2.407 20 0 DAADMO COCCS(=O)(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001440004675 928663315 /nfs/dbraw/zinc/66/33/15/928663315.db2.gz PJNMDHRYVYURHX-LBPRGKRZSA-N 1 1 324.399 -2.407 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001440004932 928663377 /nfs/dbraw/zinc/66/33/77/928663377.db2.gz AUQTXXZZJMZBLI-GFCCVEGCSA-N 1 1 320.415 -1.997 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001440022784 928668474 /nfs/dbraw/zinc/66/84/74/928668474.db2.gz YTJMBGREJHLSCH-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO CCCS(=O)(=O)CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001440022784 928668476 /nfs/dbraw/zinc/66/84/76/928668476.db2.gz YTJMBGREJHLSCH-CYBMUJFWSA-N 1 1 322.427 -1.253 20 0 DAADMO O=C(Cn1ccccc1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001440021399 928668502 /nfs/dbraw/zinc/66/85/02/928668502.db2.gz HLGRUZRBMOALQA-HNNXBMFYSA-N 1 1 309.366 -1.216 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001440021063 928668604 /nfs/dbraw/zinc/66/86/04/928668604.db2.gz JKCKAZSRKMDRJE-BONVTDFDSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001440021063 928668609 /nfs/dbraw/zinc/66/86/09/928668609.db2.gz JKCKAZSRKMDRJE-BONVTDFDSA-N 1 1 321.381 -1.447 20 0 DAADMO Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440022184 928668663 /nfs/dbraw/zinc/66/86/63/928668663.db2.gz YZRSGUHKMXKBBA-HFAKWTLXSA-N 1 1 321.381 -1.438 20 0 DAADMO Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440022184 928668670 /nfs/dbraw/zinc/66/86/70/928668670.db2.gz YZRSGUHKMXKBBA-HFAKWTLXSA-N 1 1 321.381 -1.438 20 0 DAADMO CCNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001440022327 928668893 /nfs/dbraw/zinc/66/88/93/928668893.db2.gz KBRIERUYZIVCEN-SWLSCSKDSA-N 1 1 312.414 -1.373 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001440021062 928668993 /nfs/dbraw/zinc/66/89/93/928668993.db2.gz JKCKAZSRKMDRJE-BMIGLBTASA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001440021062 928668997 /nfs/dbraw/zinc/66/89/97/928668997.db2.gz JKCKAZSRKMDRJE-BMIGLBTASA-N 1 1 321.381 -1.447 20 0 DAADMO COc1cccnc1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440022160 928669066 /nfs/dbraw/zinc/66/90/66/928669066.db2.gz PJWBPLALJGBVPR-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO COc1cccnc1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440022160 928669074 /nfs/dbraw/zinc/66/90/74/928669074.db2.gz PJWBPLALJGBVPR-CQSZACIVSA-N 1 1 308.338 -1.258 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022891 928669220 /nfs/dbraw/zinc/66/92/20/928669220.db2.gz MIXUNXWKHMMKSO-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cccn(C)c2=O)C1 ZINC001440022891 928669228 /nfs/dbraw/zinc/66/92/28/928669228.db2.gz MIXUNXWKHMMKSO-MEBBXXQBSA-N 1 1 322.365 -1.574 20 0 DAADMO CCNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001440022315 928669316 /nfs/dbraw/zinc/66/93/16/928669316.db2.gz KBRIERUYZIVCEN-DOMZBBRYSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021445 928669757 /nfs/dbraw/zinc/66/97/57/928669757.db2.gz URSMMFWPUAHIBN-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021445 928669761 /nfs/dbraw/zinc/66/97/61/928669761.db2.gz URSMMFWPUAHIBN-NHYWBVRUSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021442 928670082 /nfs/dbraw/zinc/67/00/82/928670082.db2.gz URSMMFWPUAHIBN-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021442 928670086 /nfs/dbraw/zinc/67/00/86/928670086.db2.gz URSMMFWPUAHIBN-ABAIWWIYSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021447 928670520 /nfs/dbraw/zinc/67/05/20/928670520.db2.gz URSMMFWPUAHIBN-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnn(C)c2)C1 ZINC001440021447 928670525 /nfs/dbraw/zinc/67/05/25/928670525.db2.gz URSMMFWPUAHIBN-XHDPSFHLSA-N 1 1 323.397 -1.221 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3cncn3)C2)C1=O ZINC001440023539 928670594 /nfs/dbraw/zinc/67/05/94/928670594.db2.gz NAGIIVGOYLCPEO-BXUZGUMPSA-N 1 1 322.369 -1.938 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001440024282 928671511 /nfs/dbraw/zinc/67/15/11/928671511.db2.gz QCNNDSRUCVZLJB-TVQRCGJNSA-N 1 1 310.358 -1.836 20 0 DAADMO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@H]3CCCNC3=O)C2)n1 ZINC001440024008 928671814 /nfs/dbraw/zinc/67/18/14/928671814.db2.gz ORRHZUWDBDESIT-WFASDCNBSA-N 1 1 321.381 -1.135 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001440027914 928671957 /nfs/dbraw/zinc/67/19/57/928671957.db2.gz AHTQAPGFUWRUCA-DOMZBBRYSA-N 1 1 323.397 -1.087 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001440024881 928672100 /nfs/dbraw/zinc/67/21/00/928672100.db2.gz UAGZJEACCVDBEU-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO Cc1nccc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001440024881 928672113 /nfs/dbraw/zinc/67/21/13/928672113.db2.gz UAGZJEACCVDBEU-DOMZBBRYSA-N 1 1 319.365 -1.160 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001440028010 928672154 /nfs/dbraw/zinc/67/21/54/928672154.db2.gz AHUBCBXBNHSCIJ-CQSZACIVSA-N 1 1 308.338 -1.661 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001440027922 928672956 /nfs/dbraw/zinc/67/29/56/928672956.db2.gz AHUBCBXBNHSCIJ-AWEZNQCLSA-N 1 1 308.338 -1.661 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032616 928674785 /nfs/dbraw/zinc/67/47/85/928674785.db2.gz NIMGVHSAZCFCHN-IINYFYTJSA-N 1 1 324.385 -1.826 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001440032616 928674790 /nfs/dbraw/zinc/67/47/90/928674790.db2.gz NIMGVHSAZCFCHN-IINYFYTJSA-N 1 1 324.385 -1.826 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)cn1 ZINC001440036517 928676195 /nfs/dbraw/zinc/67/61/95/928676195.db2.gz WCLXIKOOTIBMGU-AWEZNQCLSA-N 1 1 308.338 -1.661 20 0 DAADMO COC[C@H](O)CN1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001440050101 928680042 /nfs/dbraw/zinc/68/00/42/928680042.db2.gz AVNCACYIOLHPBM-CHWSQXEVSA-N 1 1 315.414 -1.359 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001440045961 928680543 /nfs/dbraw/zinc/68/05/43/928680543.db2.gz YTNZPHJAIPOCKN-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO Cn1cc(CN2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001440045961 928680547 /nfs/dbraw/zinc/68/05/47/928680547.db2.gz YTNZPHJAIPOCKN-GFCCVEGCSA-N 1 1 324.385 -2.191 20 0 DAADMO CC1CC(C[NH+]2CC(O)(CNC(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001440057734 928684042 /nfs/dbraw/zinc/68/40/42/928684042.db2.gz XCJUIRIRGUXBJA-UHFFFAOYSA-N 1 1 323.397 -1.209 20 0 DAADMO CC(C)[NH+]1CC(O)(CNC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001440084900 928689814 /nfs/dbraw/zinc/68/98/14/928689814.db2.gz BVOFTSNHJQLRHQ-UHFFFAOYSA-N 1 1 323.397 -1.048 20 0 DAADMO CN(C)C(=O)CN1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001440086648 928691513 /nfs/dbraw/zinc/69/15/13/928691513.db2.gz BGBUPDRAAJACLR-GFCCVEGCSA-N 1 1 312.414 -1.421 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001440152526 928696270 /nfs/dbraw/zinc/69/62/70/928696270.db2.gz USLLBVQPRPXIOV-TUAOUCFPSA-N 1 1 324.381 -1.037 20 0 DAADMO COCCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001440126199 928696642 /nfs/dbraw/zinc/69/66/42/928696642.db2.gz FAPNQTSKBBLNOT-MXWKQRLJSA-N 1 1 312.370 -1.004 20 0 DAADMO COC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001440152522 928696977 /nfs/dbraw/zinc/69/69/77/928696977.db2.gz USLLBVQPRPXIOV-GRYCIOLGSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001440133583 928697173 /nfs/dbraw/zinc/69/71/73/928697173.db2.gz NKTXJOVTSUMQIZ-BBBLOLIVSA-N 1 1 320.353 -1.003 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001440133583 928697177 /nfs/dbraw/zinc/69/71/77/928697177.db2.gz NKTXJOVTSUMQIZ-BBBLOLIVSA-N 1 1 320.353 -1.003 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001440133583 928697181 /nfs/dbraw/zinc/69/71/81/928697181.db2.gz NKTXJOVTSUMQIZ-BBBLOLIVSA-N 1 1 320.353 -1.003 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3n[nH]cc3F)C[C@H]2C1 ZINC001440145853 928697218 /nfs/dbraw/zinc/69/72/18/928697218.db2.gz AHMZAYMPTARLEB-OCAPTIKFSA-N 1 1 324.316 -1.253 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440169475 928698166 /nfs/dbraw/zinc/69/81/66/928698166.db2.gz ACPLMCPURBKFHE-OCCSQVGLSA-N 1 1 302.371 -1.273 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440169472 928698330 /nfs/dbraw/zinc/69/83/30/928698330.db2.gz ACPLMCPURBKFHE-JSGCOSHPSA-N 1 1 302.371 -1.273 20 0 DAADMO O=C(CN1CCCC1=O)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001440173154 928698567 /nfs/dbraw/zinc/69/85/67/928698567.db2.gz GXECBQOPHSCBCZ-OAHLLOKOSA-N 1 1 313.398 -1.066 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)c2nccnc2N)C1 ZINC001440167987 928698728 /nfs/dbraw/zinc/69/87/28/928698728.db2.gz ZLNGMCPZQNKTAM-YGRLFVJLSA-N 1 1 309.370 -1.004 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001440166251 928699711 /nfs/dbraw/zinc/69/97/11/928699711.db2.gz QTVQGGINNOLXOE-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO CC(=O)NCC(=O)N[C@]1(CO)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001440166251 928699716 /nfs/dbraw/zinc/69/97/16/928699716.db2.gz QTVQGGINNOLXOE-OAHLLOKOSA-N 1 1 323.397 -1.001 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)CN2CCOCC2)C1 ZINC001440174489 928700022 /nfs/dbraw/zinc/70/00/22/928700022.db2.gz NWSDFISXIBQBFU-HNNXBMFYSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001440188964 928700659 /nfs/dbraw/zinc/70/06/59/928700659.db2.gz OQTCIXCKLPGZDX-SDDRHHMPSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cnnn2)C1 ZINC001440187612 928701738 /nfs/dbraw/zinc/70/17/38/928701738.db2.gz SUDIFDOEYDLDRC-CYBMUJFWSA-N 1 1 312.374 -1.347 20 0 DAADMO CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001440180581 928702080 /nfs/dbraw/zinc/70/20/80/928702080.db2.gz BJSBKKYXQUDOJT-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001440188961 928702169 /nfs/dbraw/zinc/70/21/69/928702169.db2.gz OQTCIXCKLPGZDX-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(Cn1cnnn1)N[C@]1(CO)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440184675 928702524 /nfs/dbraw/zinc/70/25/24/928702524.db2.gz WPAJAACGKTWLQP-TZMCWYRMSA-N 1 1 324.385 -1.347 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001440202810 928703142 /nfs/dbraw/zinc/70/31/42/928703142.db2.gz PPHCKDVIQWSBKE-RWMBFGLXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCCO1)c1nnnn1C ZINC001440199519 928703763 /nfs/dbraw/zinc/70/37/63/928703763.db2.gz LQOYRHJXCSBMOD-MNOVXSKESA-N 1 1 312.374 -1.139 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCCO1)c1nnnn1C ZINC001440199521 928704092 /nfs/dbraw/zinc/70/40/92/928704092.db2.gz LQOYRHJXCSBMOD-WDEREUQCSA-N 1 1 312.374 -1.139 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1ncnn1 ZINC001440196767 928704247 /nfs/dbraw/zinc/70/42/47/928704247.db2.gz NWSVDPKMWGRNJS-XQQFMLRXSA-N 1 1 324.385 -1.254 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1)c1nncn1C ZINC001440200373 928704789 /nfs/dbraw/zinc/70/47/89/928704789.db2.gz MWYVUCROSMZPKK-WDEREUQCSA-N 1 1 324.385 -1.435 20 0 DAADMO C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O)c1nncn1C ZINC001440210651 928707498 /nfs/dbraw/zinc/70/74/98/928707498.db2.gz XKYONYGDICUJBQ-AXFHLTTASA-N 1 1 324.385 -1.592 20 0 DAADMO CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440250775 928709223 /nfs/dbraw/zinc/70/92/23/928709223.db2.gz XVNFEVSPOYWUOF-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440250775 928709232 /nfs/dbraw/zinc/70/92/32/928709232.db2.gz XVNFEVSPOYWUOF-LLVKDONJSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)NCC(=O)NCC1([NH2+]Cc2ncnn2C)CCC1 ZINC001440326561 928712780 /nfs/dbraw/zinc/71/27/80/928712780.db2.gz XAOPDBISMCBPRR-UHFFFAOYSA-N 1 1 309.374 -1.127 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)CN2CCCC2=O)C1 ZINC001440320704 928713051 /nfs/dbraw/zinc/71/30/51/928713051.db2.gz POHKAXIGSBCDMN-XYPYZODXSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C1(CNC(=O)CNC(=O)C2CC2)CCC1 ZINC001440298122 928713244 /nfs/dbraw/zinc/71/32/44/928713244.db2.gz DNLSJKGOURFRIK-UHFFFAOYSA-N 1 1 321.385 -1.135 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001440383349 928719365 /nfs/dbraw/zinc/71/93/65/928719365.db2.gz RMGSKWMDNOBAGK-LBPRGKRZSA-N 1 1 323.353 -1.087 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001440397952 928719382 /nfs/dbraw/zinc/71/93/82/928719382.db2.gz YICQIODHVUDUMV-ZYHUDNBSSA-N 1 1 324.385 -1.356 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001440404009 928720432 /nfs/dbraw/zinc/72/04/32/928720432.db2.gz NWHQYZNUDOFVGP-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CO[C@@H](C)CC(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001440381676 928720606 /nfs/dbraw/zinc/72/06/06/928720606.db2.gz REBXBBZKRQWAST-WDEREUQCSA-N 1 1 312.374 -1.048 20 0 DAADMO CO[C@H](C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001440381673 928721141 /nfs/dbraw/zinc/72/11/41/928721141.db2.gz REBXBBZKRQWAST-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCc1nc(CNCC(N)=O)cc(=O)[nH]1 ZINC001440442279 928721891 /nfs/dbraw/zinc/72/18/91/928721891.db2.gz LEPWODORLDESGK-UHFFFAOYSA-N 1 1 324.385 -1.287 20 0 DAADMO CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001440424866 928722106 /nfs/dbraw/zinc/72/21/06/928722106.db2.gz FXTQNRBMOYUIKU-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)CC[N@H+]1CCO ZINC001440446337 928723033 /nfs/dbraw/zinc/72/30/33/928723033.db2.gz AMFXFNGGSJMUIT-SDDRHHMPSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]2C1 ZINC001440451113 928723346 /nfs/dbraw/zinc/72/33/46/928723346.db2.gz OQKYXCJDOVRDQS-AXFHLTTASA-N 1 1 311.386 -1.431 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]([N@H+](CCO)CC(N)=O)C1 ZINC001440444264 928723684 /nfs/dbraw/zinc/72/36/84/928723684.db2.gz JHNDLSKPXUNFHW-NSHDSACASA-N 1 1 300.359 -2.107 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(N)=O)C1 ZINC001440444264 928723691 /nfs/dbraw/zinc/72/36/91/928723691.db2.gz JHNDLSKPXUNFHW-NSHDSACASA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CN1CCOCC1 ZINC001440438801 928723735 /nfs/dbraw/zinc/72/37/35/928723735.db2.gz XROARPBUATZTHP-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CCNC(=O)C1CC1 ZINC001440493138 928725530 /nfs/dbraw/zinc/72/55/30/928725530.db2.gz JBSQPDVVAHRKQU-KOLCDFICSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CCNC(=O)C1CC1 ZINC001440493138 928725536 /nfs/dbraw/zinc/72/55/36/928725536.db2.gz JBSQPDVVAHRKQU-KOLCDFICSA-N 1 1 321.385 -1.071 20 0 DAADMO CN(CCC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001440463902 928726201 /nfs/dbraw/zinc/72/62/01/928726201.db2.gz VZTATWWCOMKXPM-LLVKDONJSA-N 1 1 309.374 -1.223 20 0 DAADMO CN(CCC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001440463902 928726211 /nfs/dbraw/zinc/72/62/11/928726211.db2.gz VZTATWWCOMKXPM-LLVKDONJSA-N 1 1 309.374 -1.223 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC001440491530 928726308 /nfs/dbraw/zinc/72/63/08/928726308.db2.gz VWIIDIGSSGNKEO-NEPJUHHUSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1CC(=O)NC(N)=O ZINC001440492635 928726404 /nfs/dbraw/zinc/72/64/04/928726404.db2.gz LCDMXZRQIJYBQL-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001440497309 928726566 /nfs/dbraw/zinc/72/65/66/928726566.db2.gz VJXYBZJGRHYJRS-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001440497309 928726574 /nfs/dbraw/zinc/72/65/74/928726574.db2.gz VJXYBZJGRHYJRS-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CC(=O)NCC(=O)N1CCC[C@](CO)([NH2+]Cc2nncn2C)C1 ZINC001440542906 928728009 /nfs/dbraw/zinc/72/80/09/928728009.db2.gz UNSBQFDQKMJMQB-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001440543746 928728355 /nfs/dbraw/zinc/72/83/55/928728355.db2.gz GWGOVKXZOBXQDR-ZDUSSCGKSA-N 1 1 310.358 -1.503 20 0 DAADMO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001440538161 928728457 /nfs/dbraw/zinc/72/84/57/928728457.db2.gz ZSILLDLLQSZCQO-NSHDSACASA-N 1 1 312.374 -1.661 20 0 DAADMO CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001440543718 928728568 /nfs/dbraw/zinc/72/85/68/928728568.db2.gz GWGOVKXZOBXQDR-CYBMUJFWSA-N 1 1 310.358 -1.503 20 0 DAADMO Cn1[nH]c(C[NH2+][C@@]2(CO)CCCN(C(=O)C3CC3)C2)nc1=O ZINC001440541354 928729353 /nfs/dbraw/zinc/72/93/53/928729353.db2.gz YRAWIYQNLJKGDJ-AWEZNQCLSA-N 1 1 309.370 -1.039 20 0 DAADMO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC001440551295 928730950 /nfs/dbraw/zinc/73/09/50/928730950.db2.gz DSKJSECCNBBPEW-AWEZNQCLSA-N 1 1 324.385 -1.574 20 0 DAADMO Cn1ncc(C(=O)N2CCC(O)(C[NH2+]Cc3cnon3)CC2)n1 ZINC001440634145 928735223 /nfs/dbraw/zinc/73/52/23/928735223.db2.gz FPYCIZVGUPYMMU-UHFFFAOYSA-N 1 1 321.341 -1.045 20 0 DAADMO NC(=O)C[NH2+]CC1(O)CCN(C(=O)c2ncccc2O)CC1 ZINC001440626973 928735822 /nfs/dbraw/zinc/73/58/22/928735822.db2.gz TVFOQFYXTLLRGO-UHFFFAOYSA-N 1 1 308.338 -1.171 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001440655975 928736817 /nfs/dbraw/zinc/73/68/17/928736817.db2.gz ZXJQEKUPRLRYHC-VHSXEESVSA-N 1 1 308.404 -1.998 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)nn2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001440637890 928737758 /nfs/dbraw/zinc/73/77/58/928737758.db2.gz OESGUQYHBPGDIT-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cn(C)nn2)CC[N@H+]1CC(=O)NC(N)=O ZINC001440637890 928737767 /nfs/dbraw/zinc/73/77/67/928737767.db2.gz OESGUQYHBPGDIT-DTWKUNHWSA-N 1 1 323.357 -1.407 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC001440634984 928738382 /nfs/dbraw/zinc/73/83/82/928738382.db2.gz HOYFHMZLWWUOJV-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)CC[N@H+]1CCO ZINC001440634983 928738533 /nfs/dbraw/zinc/73/85/33/928738533.db2.gz HOYFHMZLWWUOJV-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)c1=O ZINC001440720466 928739951 /nfs/dbraw/zinc/73/99/51/928739951.db2.gz HJBMYUFUBZHRSG-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)c1=O ZINC001440720466 928739958 /nfs/dbraw/zinc/73/99/58/928739958.db2.gz HJBMYUFUBZHRSG-SNVBAGLBSA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)c1=O ZINC001440720434 928740049 /nfs/dbraw/zinc/74/00/49/928740049.db2.gz HJBMYUFUBZHRSG-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)c1=O ZINC001440720434 928740060 /nfs/dbraw/zinc/74/00/60/928740060.db2.gz HJBMYUFUBZHRSG-JTQLQIEISA-N 1 1 310.358 -2.010 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001440731162 928740121 /nfs/dbraw/zinc/74/01/21/928740121.db2.gz WEJKEFBLQAFSGQ-GARJFASQSA-N 1 1 312.370 -1.573 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001440731162 928740130 /nfs/dbraw/zinc/74/01/30/928740130.db2.gz WEJKEFBLQAFSGQ-GARJFASQSA-N 1 1 312.370 -1.573 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1ccnnc1 ZINC001440697371 928741098 /nfs/dbraw/zinc/74/10/98/928741098.db2.gz PKUPWQSPXULXJP-GFCCVEGCSA-N 1 1 319.365 -1.078 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)Cc2ccn(C)n2)CC1 ZINC001440695450 928741146 /nfs/dbraw/zinc/74/11/46/928741146.db2.gz FMMNNBNDIXZDHS-LLVKDONJSA-N 1 1 323.397 -1.221 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001440717670 928741330 /nfs/dbraw/zinc/74/13/30/928741330.db2.gz ASKSBELHGFHVGN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001440717670 928741339 /nfs/dbraw/zinc/74/13/39/928741339.db2.gz ASKSBELHGFHVGN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001440723662 928741567 /nfs/dbraw/zinc/74/15/67/928741567.db2.gz IANGRVGCPFCHQR-GHMZBOCLSA-N 1 1 309.374 -1.140 20 0 DAADMO C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)[NH2+]Cc1nnnn1C ZINC001440777692 928742182 /nfs/dbraw/zinc/74/21/82/928742182.db2.gz HMCGZQXOYMVEEY-DTWKUNHWSA-N 1 1 309.374 -1.281 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001440739007 928742563 /nfs/dbraw/zinc/74/25/63/928742563.db2.gz YXSIGTGIQYKQOC-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(N)=O)c(=O)[nH]c1=O ZINC001440739007 928742575 /nfs/dbraw/zinc/74/25/75/928742575.db2.gz YXSIGTGIQYKQOC-VIFPVBQESA-N 1 1 323.353 -1.492 20 0 DAADMO C[C@@H]([NH2+]Cc1nnnn1C)[C@H](C)NC(=O)c1nccnc1N ZINC001440768479 928742726 /nfs/dbraw/zinc/74/27/26/928742726.db2.gz CNSUYFVJRKZADR-SFYZADRCSA-N 1 1 305.346 -1.121 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@H+](C)[C@@H](C)C(N)=O ZINC001440735907 928742759 /nfs/dbraw/zinc/74/27/59/928742759.db2.gz RFLREHBAZUILEK-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)[C@@H](C)C(N)=O ZINC001440735907 928742767 /nfs/dbraw/zinc/74/27/67/928742767.db2.gz RFLREHBAZUILEK-UWVGGRQHSA-N 1 1 320.415 -1.668 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001440744953 928743494 /nfs/dbraw/zinc/74/34/94/928743494.db2.gz ZSMISVUPDFWVES-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC(N)=O)c(=O)n1C ZINC001440736719 928743559 /nfs/dbraw/zinc/74/35/59/928743559.db2.gz RYSZXHDIVNKDDB-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO Cc1nn(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC(N)=O)c(=O)n1C ZINC001440736719 928743566 /nfs/dbraw/zinc/74/35/66/928743566.db2.gz RYSZXHDIVNKDDB-LLVKDONJSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440804603 928746086 /nfs/dbraw/zinc/74/60/86/928746086.db2.gz VEKWAJBHCXQLFH-NXEZZACHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](NC(=O)c1cnn[nH]1)[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001440799354 928746734 /nfs/dbraw/zinc/74/67/34/928746734.db2.gz BSLPXQGWDIUDEC-RKDXNWHRSA-N 1 1 318.403 -1.208 20 0 DAADMO C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)[NH2+]Cc1nncn1C ZINC001440812882 928746939 /nfs/dbraw/zinc/74/69/39/928746939.db2.gz TZQUTCRRNZQNCP-RKDXNWHRSA-N 1 1 315.399 -1.158 20 0 DAADMO C[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440804608 928747007 /nfs/dbraw/zinc/74/70/07/928747007.db2.gz VEKWAJBHCXQLFH-UWVGGRQHSA-N 1 1 322.373 -1.607 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@H+](C)CC(=O)NC(N)=O ZINC001440902983 928748198 /nfs/dbraw/zinc/74/81/98/928748198.db2.gz JIBZAAVLLNTSBX-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[N@@H+](C)CC(=O)NC(N)=O ZINC001440902983 928748203 /nfs/dbraw/zinc/74/82/03/928748203.db2.gz JIBZAAVLLNTSBX-UWVGGRQHSA-N 1 1 315.374 -2.052 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC001440891977 928748861 /nfs/dbraw/zinc/74/88/61/928748861.db2.gz OFOAJTWDIAXRSX-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(N)=O ZINC001440891977 928748869 /nfs/dbraw/zinc/74/88/69/928748869.db2.gz OFOAJTWDIAXRSX-HTQZYQBOSA-N 1 1 301.347 -1.858 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC001440905539 928748961 /nfs/dbraw/zinc/74/89/61/928748961.db2.gz WBPUDIGGFMMREB-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CNC(=O)Cn1cnnn1)[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001440905539 928748967 /nfs/dbraw/zinc/74/89/67/928748967.db2.gz WBPUDIGGFMMREB-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001440927106 928749563 /nfs/dbraw/zinc/74/95/63/928749563.db2.gz VQJIWZPMYCROFX-UWVGGRQHSA-N 1 1 312.374 -1.152 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001440913514 928749975 /nfs/dbraw/zinc/74/99/75/928749975.db2.gz NLSTVYNOMPANPD-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001440913514 928749985 /nfs/dbraw/zinc/74/99/85/928749985.db2.gz NLSTVYNOMPANPD-SNVBAGLBSA-N 1 1 301.391 -1.170 20 0 DAADMO CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001440937832 928750726 /nfs/dbraw/zinc/75/07/26/928750726.db2.gz AAZIIKONUAQDCQ-ZJUUUORDSA-N 1 1 305.400 -1.254 20 0 DAADMO CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001440937820 928750920 /nfs/dbraw/zinc/75/09/20/928750920.db2.gz AAZIIKONUAQDCQ-UWVGGRQHSA-N 1 1 305.400 -1.254 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@H+](C)Cc1cnn(C)c1 ZINC001440942929 928751087 /nfs/dbraw/zinc/75/10/87/928751087.db2.gz MMXNPVKLRZQHAA-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO C[C@H](CNC(=O)Cn1ncn(C)c1=O)[N@@H+](C)Cc1cnn(C)c1 ZINC001440942929 928751094 /nfs/dbraw/zinc/75/10/94/928751094.db2.gz MMXNPVKLRZQHAA-LLVKDONJSA-N 1 1 321.385 -1.048 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001440933242 928751157 /nfs/dbraw/zinc/75/11/57/928751157.db2.gz YVBISJDSOFNJBU-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001440933242 928751161 /nfs/dbraw/zinc/75/11/61/928751161.db2.gz YVBISJDSOFNJBU-RKDXNWHRSA-N 1 1 308.404 -1.764 20 0 DAADMO C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001440977535 928751613 /nfs/dbraw/zinc/75/16/13/928751613.db2.gz MTSKYDNKJBPIKX-BDAKNGLRSA-N 1 1 310.358 -1.028 20 0 DAADMO C[C@H](CNC(=O)CN1CCCCS1(=O)=O)[N@H+](C)CC(N)=O ZINC001440941661 928751902 /nfs/dbraw/zinc/75/19/02/928751902.db2.gz GCXXQYYCOOKRGC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO C[C@H](CNC(=O)CN1CCCCS1(=O)=O)[N@@H+](C)CC(N)=O ZINC001440941661 928751913 /nfs/dbraw/zinc/75/19/13/928751913.db2.gz GCXXQYYCOOKRGC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001440996465 928753007 /nfs/dbraw/zinc/75/30/07/928753007.db2.gz GDPZORGMVBIUGD-UHFFFAOYSA-N 1 1 323.357 -1.156 20 0 DAADMO O=C(Cn1cnnn1)NC1(CCO)C[NH+](C[C@H]2CCOC2)C1 ZINC001441022809 928753935 /nfs/dbraw/zinc/75/39/35/928753935.db2.gz VGBXJUAUVMOUSJ-LLVKDONJSA-N 1 1 310.358 -1.737 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)CC(=O)NC(N)=O ZINC001440995085 928754640 /nfs/dbraw/zinc/75/46/40/928754640.db2.gz LFBWEFKUCIJKFC-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001441034277 928756049 /nfs/dbraw/zinc/75/60/49/928756049.db2.gz KQDKWBIOAPDIIQ-GHMZBOCLSA-N 1 1 314.386 -1.219 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441041937 928758149 /nfs/dbraw/zinc/75/81/49/928758149.db2.gz DBGYCECRCZNVDJ-LBPRGKRZSA-N 1 1 313.402 -2.464 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCN2CCN(CC(N)=O)CC2)C1 ZINC001441041937 928758163 /nfs/dbraw/zinc/75/81/63/928758163.db2.gz DBGYCECRCZNVDJ-LBPRGKRZSA-N 1 1 313.402 -2.464 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2(CCO)C[NH+](CC3CC3)C2)n1 ZINC001441041248 928759193 /nfs/dbraw/zinc/75/91/93/928759193.db2.gz ODXCHJBWNSNCCI-UHFFFAOYSA-N 1 1 322.369 -1.660 20 0 DAADMO CCC[NH+]1CC(CCO)(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001441041429 928759206 /nfs/dbraw/zinc/75/92/06/928759206.db2.gz CXHIOXNLPHGRGZ-UHFFFAOYSA-N 1 1 314.386 -1.798 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CCO)CN([C@H]2CCNC2=O)C1 ZINC001441059554 928759801 /nfs/dbraw/zinc/75/98/01/928759801.db2.gz RGGACYQVBIMXAS-STQMWFEESA-N 1 1 324.425 -1.088 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001441059552 928760587 /nfs/dbraw/zinc/76/05/87/928760587.db2.gz RGGACYQVBIMXAS-QWHCGFSZSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](O)CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001441060381 928763169 /nfs/dbraw/zinc/76/31/69/928763169.db2.gz ARDCAASPTQMBIF-WDEREUQCSA-N 1 1 314.386 -1.618 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001441083459 928765068 /nfs/dbraw/zinc/76/50/68/928765068.db2.gz AMFWMBCZWPJFDU-UONOGXRCSA-N 1 1 323.397 -1.087 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001441105887 928767885 /nfs/dbraw/zinc/76/78/85/928767885.db2.gz OGKAQIHYYCKSKN-ONGXEEELSA-N 1 1 300.359 -2.190 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001441127475 928769092 /nfs/dbraw/zinc/76/90/92/928769092.db2.gz CFYZOOJQPRTKNG-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)C[NH+]1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001441195777 928772874 /nfs/dbraw/zinc/77/28/74/928772874.db2.gz KOVBHGUSRGSIBR-JTQLQIEISA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H](NC(=O)CCn1cnnn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001441202465 928773764 /nfs/dbraw/zinc/77/37/64/928773764.db2.gz XQLJQZDIMTVWLP-MWLCHTKSSA-N 1 1 307.358 -1.612 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001441189951 928773863 /nfs/dbraw/zinc/77/38/63/928773863.db2.gz CVAWKNIWYZCSKO-VIFPVBQESA-N 1 1 322.369 -1.177 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CN(CC(=O)NC(N)=O)C1 ZINC001441189946 928774091 /nfs/dbraw/zinc/77/40/91/928774091.db2.gz CVAWKNIWYZCSKO-SECBINFHSA-N 1 1 322.369 -1.177 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cnnn4)[C@@H]3C2)C1=O ZINC001441258956 928775171 /nfs/dbraw/zinc/77/51/71/928775171.db2.gz LVZHOWYDJAIXAH-WISYIIOYSA-N 1 1 319.369 -1.802 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001441261848 928775346 /nfs/dbraw/zinc/77/53/46/928775346.db2.gz RXLDWZBCDUEFCP-MMWGEVLESA-N 1 1 310.354 -1.346 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001441268965 928777454 /nfs/dbraw/zinc/77/74/54/928777454.db2.gz CRPQRUJQAJEPSH-PSVAKVPMSA-N 1 1 321.341 -2.082 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CC(N)=O)C2)NC1=O ZINC001441289830 928777796 /nfs/dbraw/zinc/77/77/96/928777796.db2.gz CJLAQWVQPBFSJZ-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CCC(=O)NC1 ZINC001441310282 928780057 /nfs/dbraw/zinc/78/00/57/928780057.db2.gz UVKJDRSEVPCVKF-YYHMBLRTSA-N 1 1 308.382 -1.318 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001441301468 928780397 /nfs/dbraw/zinc/78/03/97/928780397.db2.gz OQVPRDXMDQIQQH-UWVGGRQHSA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CCc2nc[nH]n2)CCO1 ZINC001441320375 928781307 /nfs/dbraw/zinc/78/13/07/928781307.db2.gz UQYCFBYRVDXQFC-UWVGGRQHSA-N 1 1 310.358 -1.572 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001441328658 928781322 /nfs/dbraw/zinc/78/13/22/928781322.db2.gz ZRXXPPIPZCFNJX-RTCCRHLQSA-N 1 1 305.400 -1.524 20 0 DAADMO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001441320822 928781730 /nfs/dbraw/zinc/78/17/30/928781730.db2.gz JPVCYSQRMMVEOI-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)CNC(=O)C3CC3)C2)n1 ZINC001441350068 928784667 /nfs/dbraw/zinc/78/46/67/928784667.db2.gz OAXZUUBFYDCSBH-HOMQSWHASA-N 1 1 321.385 -1.279 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001441342718 928784926 /nfs/dbraw/zinc/78/49/26/928784926.db2.gz STYMQKYRWXCOKL-SDDRHHMPSA-N 1 1 319.427 -1.255 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001441346437 928785202 /nfs/dbraw/zinc/78/52/02/928785202.db2.gz AVFJQBOTSFFZHO-MGCOHNPYSA-N 1 1 309.374 -1.279 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001441391706 928787389 /nfs/dbraw/zinc/78/73/89/928787389.db2.gz BLBXKTCDQQQAFI-GFCCVEGCSA-N 1 1 316.402 -1.025 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441452492 928788750 /nfs/dbraw/zinc/78/87/50/928788750.db2.gz XIPHHMSOHJDMEF-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H](C[NH2+]Cc1nncn1C)C1CC1 ZINC001441451879 928789003 /nfs/dbraw/zinc/78/90/03/928789003.db2.gz ZUUDGBVXSLCSQF-NSHDSACASA-N 1 1 319.373 -1.172 20 0 DAADMO CNC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001441455050 928789203 /nfs/dbraw/zinc/78/92/03/928789203.db2.gz QADOYTHHBWCBJH-FGNRJIRKSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001441438106 928789345 /nfs/dbraw/zinc/78/93/45/928789345.db2.gz XJIYNTPIADPNLE-SNVBAGLBSA-N 1 1 324.389 -1.534 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCC2)C1 ZINC001441437797 928789536 /nfs/dbraw/zinc/78/95/36/928789536.db2.gz JWAGQIXMNZIEKW-XYPYZODXSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001441481253 928791194 /nfs/dbraw/zinc/79/11/94/928791194.db2.gz AQNMLTNQJPGVGM-HLTSFMKQSA-N 1 1 310.362 -1.563 20 0 DAADMO C[C@H](CN(C)C(=O)c1ccn[nH]1)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001441484919 928792758 /nfs/dbraw/zinc/79/27/58/928792758.db2.gz CFDBYZRTAYRMNY-SNVBAGLBSA-N 1 1 322.369 -1.582 20 0 DAADMO C[C@H](CN(C)C(=O)Cn1ncnn1)[NH2+][C@@H](C)c1nncn1C ZINC001441531529 928793865 /nfs/dbraw/zinc/79/38/65/928793865.db2.gz RAMUHPXRFLAOQO-ZJUUUORDSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1ncnn1)c1nncn1C ZINC001441531523 928794416 /nfs/dbraw/zinc/79/44/16/928794416.db2.gz RAMUHPXRFLAOQO-VHSXEESVSA-N 1 1 307.362 -1.001 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCCC2)C1)C(=O)NC(N)=O ZINC001441533456 928794697 /nfs/dbraw/zinc/79/46/97/928794697.db2.gz MGUWJFNIALJXSE-GARJFASQSA-N 1 1 311.386 -1.098 20 0 DAADMO CO[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCOC1 ZINC001441504073 928794868 /nfs/dbraw/zinc/79/48/68/928794868.db2.gz DRMKOLQGYXLZHV-KQXIARHKSA-N 1 1 324.385 -1.002 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001441510053 928795528 /nfs/dbraw/zinc/79/55/28/928795528.db2.gz NNTBHXBAEXJEFG-OUAUKWLOSA-N 1 1 309.374 -1.138 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001441572570 928796527 /nfs/dbraw/zinc/79/65/27/928796527.db2.gz MOGWRLRGDQKMRT-WDEREUQCSA-N 1 1 307.416 -1.255 20 0 DAADMO C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)[NH2+]Cc1nncn1C ZINC001441537299 928797125 /nfs/dbraw/zinc/79/71/25/928797125.db2.gz RCKHHFLQKYKTEB-VIFPVBQESA-N 1 1 315.399 -1.204 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)c1=O ZINC001441592809 928801355 /nfs/dbraw/zinc/80/13/55/928801355.db2.gz UVKXOXYDEZBKGK-LLVKDONJSA-N 1 1 324.385 -1.715 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)c1=O ZINC001441592809 928801363 /nfs/dbraw/zinc/80/13/63/928801363.db2.gz UVKXOXYDEZBKGK-LLVKDONJSA-N 1 1 324.385 -1.715 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2COCCO2)ncn1 ZINC001441666120 928805910 /nfs/dbraw/zinc/80/59/10/928805910.db2.gz BOYXYJVPOHQINZ-OLZOCXBDSA-N 1 1 310.354 -1.233 20 0 DAADMO CCn1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cnnn2)n1 ZINC001441660799 928806130 /nfs/dbraw/zinc/80/61/30/928806130.db2.gz CBIWCGSOPPJAGI-LLVKDONJSA-N 1 1 308.346 -1.844 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2COCCO2)ncn1 ZINC001441666127 928806288 /nfs/dbraw/zinc/80/62/88/928806288.db2.gz BOYXYJVPOHQINZ-QWHCGFSZSA-N 1 1 310.354 -1.233 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CNC(=O)C1CC1 ZINC001441665277 928806538 /nfs/dbraw/zinc/80/65/38/928806538.db2.gz KUZUEPMDJXCXOT-LLVKDONJSA-N 1 1 309.370 -1.487 20 0 DAADMO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CNC(C)=O)nn1 ZINC001441658200 928806626 /nfs/dbraw/zinc/80/66/26/928806626.db2.gz GXYRHOLPEUDEPJ-NSHDSACASA-N 1 1 311.342 -1.812 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1nccnc1C ZINC001441671230 928809181 /nfs/dbraw/zinc/80/91/81/928809181.db2.gz SDORGKYIEXVAPV-ZYHUDNBSSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cnc(C)cn1 ZINC001441672155 928809396 /nfs/dbraw/zinc/80/93/96/928809396.db2.gz UBRHAHOISRBYJF-ZWNOBZJWSA-N 1 1 309.370 -1.124 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC001441669332 928810091 /nfs/dbraw/zinc/81/00/91/928810091.db2.gz PGFGYLVLZMTJNX-ZWNOBZJWSA-N 1 1 311.386 -1.180 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCNC(=O)C2)ncn1 ZINC001441680089 928811541 /nfs/dbraw/zinc/81/15/41/928811541.db2.gz BZKATLBRKKEOTP-WCQYABFASA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC(=O)N2)ncn1 ZINC001441683975 928814655 /nfs/dbraw/zinc/81/46/55/928814655.db2.gz VMMQKZOWQNOPDZ-NWDGAFQWSA-N 1 1 307.354 -1.370 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnsn2)C1 ZINC001441691776 928818158 /nfs/dbraw/zinc/81/81/58/928818158.db2.gz CPSRVXZNYLVUIE-MNOVXSKESA-N 1 1 315.399 -1.565 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)NCc2cnsn2)C1 ZINC001441691776 928818169 /nfs/dbraw/zinc/81/81/69/928818169.db2.gz CPSRVXZNYLVUIE-MNOVXSKESA-N 1 1 315.399 -1.565 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)Cn2ncnn2)ncn1 ZINC001441694305 928818669 /nfs/dbraw/zinc/81/86/69/928818669.db2.gz BZSCWVKEEOWLOF-NSHDSACASA-N 1 1 306.330 -1.962 20 0 DAADMO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cnnn2C)nn1 ZINC001441698459 928820884 /nfs/dbraw/zinc/82/08/84/928820884.db2.gz OSECTBMLIINEIU-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)nn1C ZINC001441698778 928821548 /nfs/dbraw/zinc/82/15/48/928821548.db2.gz QGJOMBSALPXGEV-LLVKDONJSA-N 1 1 307.358 -1.262 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1ccon1 ZINC001441700752 928822996 /nfs/dbraw/zinc/82/29/96/928822996.db2.gz UUKBLPUITWNWPF-BXKDBHETSA-N 1 1 314.342 -1.303 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CO[C@@H]1CCOC1 ZINC001441701248 928823433 /nfs/dbraw/zinc/82/34/33/928823433.db2.gz XXRGIJKOIQUHQG-ZYHUDNBSSA-N 1 1 313.358 -1.813 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001441704016 928825055 /nfs/dbraw/zinc/82/50/55/928825055.db2.gz BMKPBGNXKIDBLI-GHMZBOCLSA-N 1 1 324.385 -1.702 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001441705424 928825349 /nfs/dbraw/zinc/82/53/49/928825349.db2.gz OHBWMSHXCMDISC-YUMQZZPRSA-N 1 1 301.372 -1.233 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2cc3n(n2)CCC3)nn1 ZINC001441705041 928827097 /nfs/dbraw/zinc/82/70/97/928827097.db2.gz PVEMKSXAFZSYAY-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CCn1ccnn1 ZINC001441706474 928827987 /nfs/dbraw/zinc/82/79/87/928827987.db2.gz QNRHBTNEHZUGQW-NSHDSACASA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC2CC2)n[nH]1 ZINC001441706666 928829228 /nfs/dbraw/zinc/82/92/28/928829228.db2.gz ULVADYXOOUZKGJ-KCJUWKMLSA-N 1 1 324.385 -1.611 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CCn1ccnn1 ZINC001441706471 928829781 /nfs/dbraw/zinc/82/97/81/928829781.db2.gz QNRHBTNEHZUGQW-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO C[C@@H](N[C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441709831 928831620 /nfs/dbraw/zinc/83/16/20/928831620.db2.gz HGPHPBYOWHXASH-VXGBXAGGSA-N 1 1 312.414 -1.197 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@H](C)c1cnc(C)cn1 ZINC001441709450 928831657 /nfs/dbraw/zinc/83/16/57/928831657.db2.gz SKVUFKZRDNOWTJ-MNOVXSKESA-N 1 1 324.385 -1.158 20 0 DAADMO CN1CC[C@H](N[C@H](CO)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001441709931 928832457 /nfs/dbraw/zinc/83/24/57/928832457.db2.gz LSSSRORFVMJLPJ-RYUDHWBXSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H]1C ZINC001441716689 928833987 /nfs/dbraw/zinc/83/39/87/928833987.db2.gz VHOVPGFGTAJONK-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H]1C ZINC001441716689 928833997 /nfs/dbraw/zinc/83/39/97/928833997.db2.gz VHOVPGFGTAJONK-OQEOFVATSA-N 1 1 324.381 -1.087 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CCNC2=O)n1 ZINC001441718310 928838111 /nfs/dbraw/zinc/83/81/11/928838111.db2.gz WZEHBBHCKLSRBR-AAEUAGOBSA-N 1 1 323.397 -1.004 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CCn1ccnc1 ZINC001441726174 928840000 /nfs/dbraw/zinc/84/00/00/928840000.db2.gz UBLDEYCUTBGSGV-LLVKDONJSA-N 1 1 307.358 -1.331 20 0 DAADMO Cc1ncoc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001441730639 928842566 /nfs/dbraw/zinc/84/25/66/928842566.db2.gz LSFDMCJYLFMDLX-ZJUUUORDSA-N 1 1 311.342 -1.427 20 0 DAADMO Cc1nccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001441729217 928842832 /nfs/dbraw/zinc/84/28/32/928842832.db2.gz CKHMGKBIPGWQCK-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCOC1 ZINC001441743532 928848207 /nfs/dbraw/zinc/84/82/07/928848207.db2.gz SJRFDOLBUSUOOA-GXFFZTMASA-N 1 1 315.349 -1.007 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001441741899 928849866 /nfs/dbraw/zinc/84/98/66/928849866.db2.gz NWNQUXAJWZRHOF-MRVPVSSYSA-N 1 1 307.314 -2.221 20 0 DAADMO C[NH+](C)CC1(C(=O)NC[C@H](CO)NCC(=O)N2CCC2)CC1 ZINC001441741939 928850327 /nfs/dbraw/zinc/85/03/27/928850327.db2.gz NXSNHHXHKCJGGJ-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H](N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001441748909 928851275 /nfs/dbraw/zinc/85/12/75/928851275.db2.gz RZSYAEZCFPOIAC-AAEUAGOBSA-N 1 1 314.430 -1.128 20 0 DAADMO Cc1nnsc1C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)n1 ZINC001441753793 928852325 /nfs/dbraw/zinc/85/23/25/928852325.db2.gz OUWSIQLGFLNFOA-MRVPVSSYSA-N 1 1 311.371 -1.144 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001441756732 928852619 /nfs/dbraw/zinc/85/26/19/928852619.db2.gz SCSVDBZRPOOIGF-UWVGGRQHSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001441756744 928854159 /nfs/dbraw/zinc/85/41/59/928854159.db2.gz SCSVDBZRPOOIGF-VHSXEESVSA-N 1 1 310.358 -1.950 20 0 DAADMO Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001441762903 928854461 /nfs/dbraw/zinc/85/44/61/928854461.db2.gz AIQNPLAJOCVWGA-RYUDHWBXSA-N 1 1 323.397 -1.002 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)c2ncn[nH]2)n1 ZINC001441769075 928858330 /nfs/dbraw/zinc/85/83/30/928858330.db2.gz VHKWCTUHBXZXNL-SNVBAGLBSA-N 1 1 308.346 -1.606 20 0 DAADMO Cc1nc(C)n(CC[NH2+][C@@H](CO)CNC(=O)c2nc[nH]n2)n1 ZINC001441769075 928858343 /nfs/dbraw/zinc/85/83/43/928858343.db2.gz VHKWCTUHBXZXNL-SNVBAGLBSA-N 1 1 308.346 -1.606 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCCC(=O)N2C)n1 ZINC001441763061 928858731 /nfs/dbraw/zinc/85/87/31/928858731.db2.gz ARLADFQVOIJKKI-STQMWFEESA-N 1 1 323.397 -1.002 20 0 DAADMO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1nnc2n1CCCC2 ZINC001441781769 928863767 /nfs/dbraw/zinc/86/37/67/928863767.db2.gz QZXSMNLNLOEMKV-JTQLQIEISA-N 1 1 319.373 -1.105 20 0 DAADMO Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CCN1CCCC1=O ZINC001441784247 928864156 /nfs/dbraw/zinc/86/41/56/928864156.db2.gz BVUQNEZWESXFNW-NSHDSACASA-N 1 1 324.385 -1.606 20 0 DAADMO CCN(C)C(=O)CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441796433 928865298 /nfs/dbraw/zinc/86/52/98/928865298.db2.gz VUDDOXJFGUCNJS-LBPRGKRZSA-N 1 1 312.414 -1.373 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001441799923 928869760 /nfs/dbraw/zinc/86/97/60/928869760.db2.gz RKHZACBDFPUFDM-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CCNC(N)=O)nn1C ZINC001441810347 928871443 /nfs/dbraw/zinc/87/14/43/928871443.db2.gz YMAYHCLOERJEHU-NSHDSACASA-N 1 1 312.374 -1.646 20 0 DAADMO C[C@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001441810343 928871473 /nfs/dbraw/zinc/87/14/73/928871473.db2.gz IHVXDADZDDHWLP-SECBINFHSA-N 1 1 320.357 -1.155 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001441814953 928872563 /nfs/dbraw/zinc/87/25/63/928872563.db2.gz IFMBNSCUYZNCKT-KOLCDFICSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[NH2+]Cc1nnc2n1CCOC2 ZINC001441810345 928872626 /nfs/dbraw/zinc/87/26/26/928872626.db2.gz IHVXDADZDDHWLP-VIFPVBQESA-N 1 1 320.357 -1.155 20 0 DAADMO Cn1cc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)n(C)c1=O ZINC001441816630 928872678 /nfs/dbraw/zinc/87/26/78/928872678.db2.gz DKURZEYCTSRYOD-SECBINFHSA-N 1 1 323.357 -2.267 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001441814942 928872888 /nfs/dbraw/zinc/87/28/88/928872888.db2.gz IFMBNSCUYZNCKT-GXSJLCMTSA-N 1 1 309.374 -1.233 20 0 DAADMO CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2nnnn2C)C[C@H]1C ZINC001441814962 928873051 /nfs/dbraw/zinc/87/30/51/928873051.db2.gz IFMBNSCUYZNCKT-MWLCHTKSSA-N 1 1 309.374 -1.233 20 0 DAADMO C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1nnnn1C ZINC001441842096 928875351 /nfs/dbraw/zinc/87/53/51/928875351.db2.gz LNLBAHGTNQSWNB-UWVGGRQHSA-N 1 1 309.374 -1.327 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ncnn1CCF ZINC001441832013 928875715 /nfs/dbraw/zinc/87/57/15/928875715.db2.gz VBYQUAKCWHAKRN-SECBINFHSA-N 1 1 311.325 -1.471 20 0 DAADMO C[C@@H](CNC(=O)CN1CCOCC1=O)[NH2+]Cc1nnnn1C ZINC001441856777 928877169 /nfs/dbraw/zinc/87/71/69/928877169.db2.gz GTOPAGOTYBQDJM-VIFPVBQESA-N 1 1 311.346 -2.337 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCC[N@H+]1CCO ZINC001441877186 928877423 /nfs/dbraw/zinc/87/74/23/928877423.db2.gz DAKSPAFYISZQIR-QWRGUYRKSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001441878412 928877452 /nfs/dbraw/zinc/87/74/52/928877452.db2.gz QEKRMRKQQDPBNV-VHSXEESVSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+][C@@H](C)c1nnnn1C ZINC001441857696 928877709 /nfs/dbraw/zinc/87/77/09/928877709.db2.gz YVYCJVPCTLVEFH-YUMQZZPRSA-N 1 1 316.387 -1.590 20 0 DAADMO C[C@H](CNC(=O)C1CS(=O)(=O)C1)[NH2+][C@H](C)c1nnnn1C ZINC001441857664 928878743 /nfs/dbraw/zinc/87/87/43/928878743.db2.gz YVYCJVPCTLVEFH-HTQZYQBOSA-N 1 1 316.387 -1.590 20 0 DAADMO C[C@H](CNC(=O)CC1CS(=O)(=O)C1)[NH2+]Cc1cn(C)nn1 ZINC001441875404 928878993 /nfs/dbraw/zinc/87/89/93/928878993.db2.gz NLESTNZZOHYFSS-SECBINFHSA-N 1 1 315.399 -1.156 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001441916887 928879798 /nfs/dbraw/zinc/87/97/98/928879798.db2.gz PMJBQENSDHFESJ-MRVPVSSYSA-N 1 1 308.346 -1.140 20 0 DAADMO Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001441913199 928880107 /nfs/dbraw/zinc/88/01/07/928880107.db2.gz HNFQLQUEWXJSNJ-ZJUUUORDSA-N 1 1 323.401 -1.300 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001441916895 928881224 /nfs/dbraw/zinc/88/12/24/928881224.db2.gz PMJBQENSDHFESJ-QMMMGPOBSA-N 1 1 308.346 -1.140 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CCC[N@H+]1CCO ZINC001441911354 928881580 /nfs/dbraw/zinc/88/15/80/928881580.db2.gz WXPIAHOMLIJTPX-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1nnnn1C ZINC001441944542 928883211 /nfs/dbraw/zinc/88/32/11/928883211.db2.gz VGIZFBATLZUFLD-ZANVPECISA-N 1 1 309.374 -1.279 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC001441957557 928885536 /nfs/dbraw/zinc/88/55/36/928885536.db2.gz XZFXIEMHIZZRNH-KOLCDFICSA-N 1 1 312.374 -1.579 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)c1nccnc1N ZINC001441956234 928885990 /nfs/dbraw/zinc/88/59/90/928885990.db2.gz DFWUZBPYUTXQKY-JTQLQIEISA-N 1 1 320.357 -1.590 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CNC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001441948206 928887141 /nfs/dbraw/zinc/88/71/41/928887141.db2.gz ANAOTNDAHITRMC-VXNVDRBHSA-N 1 1 308.346 -1.716 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CCn1ccnn1 ZINC001441972741 928893841 /nfs/dbraw/zinc/89/38/41/928893841.db2.gz PUZRPTVCLTVSQC-LLVKDONJSA-N 1 1 309.330 -1.340 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCNC(=O)C1 ZINC001441972209 928894391 /nfs/dbraw/zinc/89/43/91/928894391.db2.gz LPOCKKNLTYWUOS-ZYHUDNBSSA-N 1 1 324.385 -1.750 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncccn1)C(=O)Cn1ncnn1 ZINC001441974875 928894487 /nfs/dbraw/zinc/89/44/87/928894487.db2.gz PQWFWXJRVNQERC-SNVBAGLBSA-N 1 1 306.330 -1.928 20 0 DAADMO CC(C)OCC(=O)N(C)C[C@H](O)C[NH2+]Cc1nnnn1C ZINC001441974250 928895337 /nfs/dbraw/zinc/89/53/37/928895337.db2.gz XXFRQMCKXDHGLJ-SNVBAGLBSA-N 1 1 300.363 -1.456 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1ncc[nH]1)c1nnnn1C ZINC001441971609 928895563 /nfs/dbraw/zinc/89/55/63/928895563.db2.gz JGKCXXUZBSXGFK-IUCAKERBSA-N 1 1 308.346 -1.283 20 0 DAADMO CCn1nncc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001441976806 928896620 /nfs/dbraw/zinc/89/66/20/928896620.db2.gz SNESJBMYCGSUBD-NSHDSACASA-N 1 1 322.373 -1.351 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001441978909 928897532 /nfs/dbraw/zinc/89/75/32/928897532.db2.gz FIBZLQSXYPFWMQ-MNOVXSKESA-N 1 1 324.385 -1.798 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1COC(=O)N1 ZINC001441984985 928898101 /nfs/dbraw/zinc/89/81/01/928898101.db2.gz DPZWMJQFQSPNDI-IUCAKERBSA-N 1 1 312.330 -2.168 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1)c1ncccn1 ZINC001441980509 928898878 /nfs/dbraw/zinc/89/88/78/928898878.db2.gz WNWJSVRODBMQNT-WDEREUQCSA-N 1 1 320.357 -1.367 20 0 DAADMO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001441991476 928899609 /nfs/dbraw/zinc/89/96/09/928899609.db2.gz GMSFYZRVJSCJGI-DTWKUNHWSA-N 1 1 313.358 -1.717 20 0 DAADMO Cc1ncc(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2nnnn2C)n1C ZINC001441993123 928901044 /nfs/dbraw/zinc/90/10/44/928901044.db2.gz LFKDUOMNGFSUNP-JTQLQIEISA-N 1 1 322.373 -1.525 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001441991480 928901074 /nfs/dbraw/zinc/90/10/74/928901074.db2.gz GMSFYZRVJSCJGI-RKDXNWHRSA-N 1 1 313.358 -1.717 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)c2nnn(C)n2)no1 ZINC001442001554 928905344 /nfs/dbraw/zinc/90/53/44/928905344.db2.gz JSMZRRJCSYWQSO-JTQLQIEISA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cscn1)C(=O)c1nnn(C)n1 ZINC001442009282 928905371 /nfs/dbraw/zinc/90/53/71/928905371.db2.gz RZRVVGMSOHZCPL-VIFPVBQESA-N 1 1 311.371 -1.111 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001442001073 928906003 /nfs/dbraw/zinc/90/60/03/928906003.db2.gz WUCAGAXPPJRXEP-VIFPVBQESA-N 1 1 322.325 -1.316 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001442001069 928906377 /nfs/dbraw/zinc/90/63/77/928906377.db2.gz WUCAGAXPPJRXEP-SECBINFHSA-N 1 1 322.325 -1.316 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1nnnn1C1CC1 ZINC001442014343 928907191 /nfs/dbraw/zinc/90/71/91/928907191.db2.gz IXMZVEZVVCVZEW-SCZZXKLOSA-N 1 1 307.358 -1.119 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnon2)nn1 ZINC001442025896 928908092 /nfs/dbraw/zinc/90/80/92/928908092.db2.gz UJDHSMHCVVAWBM-SNVBAGLBSA-N 1 1 309.330 -1.096 20 0 DAADMO Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001442024955 928908561 /nfs/dbraw/zinc/90/85/61/928908561.db2.gz PIWWQYLOTOVJGQ-LBPRGKRZSA-N 1 1 321.385 -1.002 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]2CCC(=O)N2)[nH]1 ZINC001442031931 928910552 /nfs/dbraw/zinc/91/05/52/928910552.db2.gz RRFVIKFWMFACTR-QWRGUYRKSA-N 1 1 324.385 -1.309 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)Cn1cccn1 ZINC001442045060 928913046 /nfs/dbraw/zinc/91/30/46/928913046.db2.gz OVKPBLLDOKYJGM-ZDUSSCGKSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)Cn1cccn1 ZINC001442045060 928913056 /nfs/dbraw/zinc/91/30/56/928913056.db2.gz OVKPBLLDOKYJGM-ZDUSSCGKSA-N 1 1 323.397 -1.134 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442042255 928913877 /nfs/dbraw/zinc/91/38/77/928913877.db2.gz MZVNPHAIQRETOE-LBPRGKRZSA-N 1 1 311.386 -1.278 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001442042255 928913885 /nfs/dbraw/zinc/91/38/85/928913885.db2.gz MZVNPHAIQRETOE-LBPRGKRZSA-N 1 1 311.386 -1.278 20 0 DAADMO C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)[NH2+]Cc1nncn1C ZINC001442037375 928913934 /nfs/dbraw/zinc/91/39/34/928913934.db2.gz DVKVFRKLRPOOHU-QMMMGPOBSA-N 1 1 321.341 -1.478 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncccn1 ZINC001442048576 928915998 /nfs/dbraw/zinc/91/59/98/928915998.db2.gz MTGPNDAEXGKMIY-UWVGGRQHSA-N 1 1 313.383 -1.237 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)Cc1cncn1C ZINC001442052375 928916065 /nfs/dbraw/zinc/91/60/65/928916065.db2.gz YWXMIWAXIXNGCA-LLVKDONJSA-N 1 1 322.373 -1.905 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001442046542 928916968 /nfs/dbraw/zinc/91/69/68/928916968.db2.gz KSKIJGQFRIJDEM-IUCAKERBSA-N 1 1 318.403 -1.480 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(N)=O ZINC001442054889 928917212 /nfs/dbraw/zinc/91/72/12/928917212.db2.gz MKRAZFJDERIMNV-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(N)=O ZINC001442054889 928917216 /nfs/dbraw/zinc/91/72/16/928917216.db2.gz MKRAZFJDERIMNV-NXEZZACHSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCn1ccccc1=O ZINC001442055111 928917304 /nfs/dbraw/zinc/91/73/04/928917304.db2.gz SVZHYHATJWEIMD-CYBMUJFWSA-N 1 1 311.382 -1.018 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC001442046540 928917495 /nfs/dbraw/zinc/91/74/95/928917495.db2.gz KSKIJGQFRIJDEM-BDAKNGLRSA-N 1 1 318.403 -1.480 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)[NH2+]Cc1ncccn1 ZINC001442048580 928917564 /nfs/dbraw/zinc/91/75/64/928917564.db2.gz MTGPNDAEXGKMIY-ZJUUUORDSA-N 1 1 313.383 -1.237 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1 ZINC001442046954 928918155 /nfs/dbraw/zinc/91/81/55/928918155.db2.gz RNQGANZPCFFVFI-CYBMUJFWSA-N 1 1 311.386 -1.193 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001442053312 928918198 /nfs/dbraw/zinc/91/81/98/928918198.db2.gz YUXLJMRRJRSEKQ-WDEREUQCSA-N 1 1 302.375 -1.863 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)N(C)C ZINC001442053416 928918232 /nfs/dbraw/zinc/91/82/32/928918232.db2.gz PSLDKEYRVCLGKP-JTQLQIEISA-N 1 1 317.390 -2.245 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC001442053416 928918239 /nfs/dbraw/zinc/91/82/39/928918239.db2.gz PSLDKEYRVCLGKP-JTQLQIEISA-N 1 1 317.390 -2.245 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCF)C(=O)Cn1ncn(C)c1=O ZINC001442062900 928919262 /nfs/dbraw/zinc/91/92/62/928919262.db2.gz ALVODJXFMUCQFK-SNVBAGLBSA-N 1 1 303.338 -1.698 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)Cn1ncn(C)c1=O ZINC001442062900 928919271 /nfs/dbraw/zinc/91/92/71/928919271.db2.gz ALVODJXFMUCQFK-SNVBAGLBSA-N 1 1 303.338 -1.698 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cncc2nc[nH]c21 ZINC001442058224 928919378 /nfs/dbraw/zinc/91/93/78/928919378.db2.gz OVVSIHUGCDWLQW-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cncc2nc[nH]c21 ZINC001442058224 928919382 /nfs/dbraw/zinc/91/93/82/928919382.db2.gz OVVSIHUGCDWLQW-VIFPVBQESA-N 1 1 320.353 -1.192 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1nncn1C ZINC001442057471 928919670 /nfs/dbraw/zinc/91/96/70/928919670.db2.gz WITZLHUPKZYUHT-NXEZZACHSA-N 1 1 315.399 -1.013 20 0 DAADMO CCC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001442056427 928919728 /nfs/dbraw/zinc/91/97/28/928919728.db2.gz OXPGPUCFHQZEKR-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cn(C)nn1 ZINC001442065862 928920091 /nfs/dbraw/zinc/92/00/91/928920091.db2.gz GFXCCTNVZQTLPK-KOLCDFICSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cn(C)nn1 ZINC001442065863 928920191 /nfs/dbraw/zinc/92/01/91/928920191.db2.gz GFXCCTNVZQTLPK-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001442060251 928920217 /nfs/dbraw/zinc/92/02/17/928920217.db2.gz YULWVXMNQHNSCJ-NXEZZACHSA-N 1 1 324.385 -1.313 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC001442062647 928920485 /nfs/dbraw/zinc/92/04/85/928920485.db2.gz YFIARUJWHRMVOI-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCn1cccn1)C(=O)Cn1ncnn1 ZINC001442059487 928920657 /nfs/dbraw/zinc/92/06/57/928920657.db2.gz RTZOLLUOQKVBHR-LBPRGKRZSA-N 1 1 322.373 -1.679 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)c1 ZINC001442057579 928921032 /nfs/dbraw/zinc/92/10/32/928921032.db2.gz PQMZHOBKFCYMAS-NWDGAFQWSA-N 1 1 311.386 -1.184 20 0 DAADMO Cc1cnn(CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(N)=O)c1 ZINC001442057579 928921038 /nfs/dbraw/zinc/92/10/38/928921038.db2.gz PQMZHOBKFCYMAS-NWDGAFQWSA-N 1 1 311.386 -1.184 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001442060467 928921271 /nfs/dbraw/zinc/92/12/71/928921271.db2.gz GRPZLYKVASCCGA-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001442060467 928921279 /nfs/dbraw/zinc/92/12/79/928921279.db2.gz GRPZLYKVASCCGA-LBPRGKRZSA-N 1 1 316.402 -2.184 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442081507 928922812 /nfs/dbraw/zinc/92/28/12/928922812.db2.gz GWBPKPNSTMRWSX-RKDXNWHRSA-N 1 1 313.362 -2.161 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CN1CCCCC1=O ZINC001442069344 928923200 /nfs/dbraw/zinc/92/32/00/928923200.db2.gz NNFHORCRKRBDRS-GFCCVEGCSA-N 1 1 301.387 -1.258 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCc1cn[nH]c1 ZINC001442078965 928924471 /nfs/dbraw/zinc/92/44/71/928924471.db2.gz FBVHLWSYKYACMT-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C1CCS(=O)(=O)CC1 ZINC001442078057 928924688 /nfs/dbraw/zinc/92/46/88/928924688.db2.gz CZVYNDWCVGZVRJ-GFCCVEGCSA-N 1 1 322.427 -1.445 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C1CCS(=O)(=O)CC1 ZINC001442078057 928924695 /nfs/dbraw/zinc/92/46/95/928924695.db2.gz CZVYNDWCVGZVRJ-GFCCVEGCSA-N 1 1 322.427 -1.445 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001442096471 928925451 /nfs/dbraw/zinc/92/54/51/928925451.db2.gz OZTQVEVXLRHUKA-LLVKDONJSA-N 1 1 310.416 -1.447 20 0 DAADMO CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001442096471 928925476 /nfs/dbraw/zinc/92/54/76/928925476.db2.gz OZTQVEVXLRHUKA-LLVKDONJSA-N 1 1 310.416 -1.447 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001442085713 928926272 /nfs/dbraw/zinc/92/62/72/928926272.db2.gz BCUCMODICUMFHV-SECBINFHSA-N 1 1 308.342 -1.488 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001442085713 928926289 /nfs/dbraw/zinc/92/62/89/928926289.db2.gz BCUCMODICUMFHV-SECBINFHSA-N 1 1 308.342 -1.488 20 0 DAADMO COc1c(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)cnn1C ZINC001442097650 928927022 /nfs/dbraw/zinc/92/70/22/928927022.db2.gz SSVSIQSUMIMMAS-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO COc1c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)cnn1C ZINC001442097650 928927031 /nfs/dbraw/zinc/92/70/31/928927031.db2.gz SSVSIQSUMIMMAS-VIFPVBQESA-N 1 1 313.358 -1.721 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001442091643 928927309 /nfs/dbraw/zinc/92/73/09/928927309.db2.gz MCNYIBBXHWVCLJ-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088971 928927568 /nfs/dbraw/zinc/92/75/68/928927568.db2.gz UPOAMZPQXIQHAB-BDAKNGLRSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001442088971 928927577 /nfs/dbraw/zinc/92/75/77/928927577.db2.gz UPOAMZPQXIQHAB-BDAKNGLRSA-N 1 1 313.362 -2.291 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001442090596 928927597 /nfs/dbraw/zinc/92/75/97/928927597.db2.gz WNACQIXCWGBLHW-GMTAPVOTSA-N 1 1 314.386 -1.151 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001442090596 928927607 /nfs/dbraw/zinc/92/76/07/928927607.db2.gz WNACQIXCWGBLHW-GMTAPVOTSA-N 1 1 314.386 -1.151 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442083719 928927626 /nfs/dbraw/zinc/92/76/26/928927626.db2.gz QECPGLSRICVILA-RNCFNFMXSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001442083719 928927637 /nfs/dbraw/zinc/92/76/37/928927637.db2.gz QECPGLSRICVILA-RNCFNFMXSA-N 1 1 300.359 -2.109 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCN1CCOCC1 ZINC001442096582 928927653 /nfs/dbraw/zinc/92/76/53/928927653.db2.gz PHGNVPVZVDHTAP-CYBMUJFWSA-N 1 1 303.403 -1.548 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442091007 928927833 /nfs/dbraw/zinc/92/78/33/928927833.db2.gz HPOHAWXLTFPWGT-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442091007 928927845 /nfs/dbraw/zinc/92/78/45/928927845.db2.gz HPOHAWXLTFPWGT-JTQLQIEISA-N 1 1 312.374 -1.732 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O ZINC001442083054 928927946 /nfs/dbraw/zinc/92/79/46/928927946.db2.gz JWQUMNOJEFDTTE-IJLUTSLNSA-N 1 1 321.443 -1.057 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC001442083054 928927958 /nfs/dbraw/zinc/92/79/58/928927958.db2.gz JWQUMNOJEFDTTE-IJLUTSLNSA-N 1 1 321.443 -1.057 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCCC(=O)N1C ZINC001442093540 928928083 /nfs/dbraw/zinc/92/80/83/928928083.db2.gz LWTQMFZWQFJZSA-NEPJUHHUSA-N 1 1 301.387 -1.259 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001442083012 928928207 /nfs/dbraw/zinc/92/82/07/928928207.db2.gz ZAWGTNNYNIOCIV-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001442083012 928928219 /nfs/dbraw/zinc/92/82/19/928928219.db2.gz ZAWGTNNYNIOCIV-MRVPVSSYSA-N 1 1 301.372 -1.351 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCc2nncn2C1 ZINC001442086839 928928453 /nfs/dbraw/zinc/92/84/53/928928453.db2.gz BHMQILHCDOXBOL-NWDGAFQWSA-N 1 1 311.386 -1.416 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001442099177 928929940 /nfs/dbraw/zinc/92/99/40/928929940.db2.gz VBNCBHXLDKBQPG-NSHDSACASA-N 1 1 312.370 -1.139 20 0 DAADMO COCC[N@H+](CCNC(=O)Cc1ccn(C)n1)[C@H]1CCNC1=O ZINC001442181835 928934366 /nfs/dbraw/zinc/93/43/66/928934366.db2.gz BVGKFKHGNLADLK-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@@H+](CCNC(=O)Cc1ccn(C)n1)[C@H]1CCNC1=O ZINC001442181835 928934370 /nfs/dbraw/zinc/93/43/70/928934370.db2.gz BVGKFKHGNLADLK-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001442193709 928934519 /nfs/dbraw/zinc/93/45/19/928934519.db2.gz VNLBWMCSUPLTMQ-CQSZACIVSA-N 1 1 301.387 -1.040 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001442207280 928934540 /nfs/dbraw/zinc/93/45/40/928934540.db2.gz COEVSFRMQWYEOV-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001442207280 928934543 /nfs/dbraw/zinc/93/45/43/928934543.db2.gz COEVSFRMQWYEOV-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001442193703 928935928 /nfs/dbraw/zinc/93/59/28/928935928.db2.gz VNLBWMCSUPLTMQ-AWEZNQCLSA-N 1 1 301.387 -1.040 20 0 DAADMO Cc1nc(C)n(CC[N@@H+](C)CCNC(=O)Cn2cnnn2)n1 ZINC001442349006 928939021 /nfs/dbraw/zinc/93/90/21/928939021.db2.gz BSSHBHNWSPAAEK-UHFFFAOYSA-N 1 1 307.362 -1.370 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442369090 928939053 /nfs/dbraw/zinc/93/90/53/928939053.db2.gz UZFAFOKUEPWDCI-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442369090 928939061 /nfs/dbraw/zinc/93/90/61/928939061.db2.gz UZFAFOKUEPWDCI-LBPRGKRZSA-N 1 1 319.427 -1.053 20 0 DAADMO CCS(=O)(=O)NCC[N@H+](C)CCNC(=O)C1=COCCO1 ZINC001442347145 928940443 /nfs/dbraw/zinc/94/04/43/928940443.db2.gz PCNDTJFJSPMSPY-UHFFFAOYSA-N 1 1 321.399 -1.138 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC001442347145 928940452 /nfs/dbraw/zinc/94/04/52/928940452.db2.gz PCNDTJFJSPMSPY-UHFFFAOYSA-N 1 1 321.399 -1.138 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cnns1 ZINC001442365153 928940498 /nfs/dbraw/zinc/94/04/98/928940498.db2.gz NTASLGDJMRVGRU-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cnns1 ZINC001442365153 928940509 /nfs/dbraw/zinc/94/05/09/928940509.db2.gz NTASLGDJMRVGRU-ZCFIWIBFSA-N 1 1 300.344 -1.217 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001442336871 928941021 /nfs/dbraw/zinc/94/10/21/928941021.db2.gz HGQDEUQLFBCVSS-QMMMGPOBSA-N 1 1 319.391 -2.256 20 0 DAADMO Cc1ccnc(C(=O)NCC[N@@H+](C)CCNS(C)(=O)=O)n1 ZINC001442390937 928942334 /nfs/dbraw/zinc/94/23/34/928942334.db2.gz DMYSJGHTSSGUIG-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO Cc1ccnc(C(=O)NCC[N@H+](C)CCNS(C)(=O)=O)n1 ZINC001442390937 928942342 /nfs/dbraw/zinc/94/23/42/928942342.db2.gz DMYSJGHTSSGUIG-UHFFFAOYSA-N 1 1 315.399 -1.004 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001442413211 928945612 /nfs/dbraw/zinc/94/56/12/928945612.db2.gz QBHUCZXFXFSHQI-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccn2nnnc12 ZINC001442413211 928945622 /nfs/dbraw/zinc/94/56/22/928945622.db2.gz QBHUCZXFXFSHQI-SECBINFHSA-N 1 1 305.342 -1.080 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442419133 928946306 /nfs/dbraw/zinc/94/63/06/928946306.db2.gz WDFCGOFEOHTCPT-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442419133 928946318 /nfs/dbraw/zinc/94/63/18/928946318.db2.gz WDFCGOFEOHTCPT-UWVGGRQHSA-N 1 1 320.415 -1.749 20 0 DAADMO CNC(=O)NCC(=O)NCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC001442414105 928946501 /nfs/dbraw/zinc/94/65/01/928946501.db2.gz ZBXLNVRDVCFFPX-NSHDSACASA-N 1 1 312.374 -1.779 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442484431 928947968 /nfs/dbraw/zinc/94/79/68/928947968.db2.gz GXBXBVDIEHCMME-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001442484431 928947979 /nfs/dbraw/zinc/94/79/79/928947979.db2.gz GXBXBVDIEHCMME-QWRGUYRKSA-N 1 1 319.427 -1.019 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1c(C)cnn1C ZINC001442482144 928948242 /nfs/dbraw/zinc/94/82/42/928948242.db2.gz AXKQRWQJWNIECB-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1c(C)cnn1C ZINC001442482144 928948245 /nfs/dbraw/zinc/94/82/45/928948245.db2.gz AXKQRWQJWNIECB-UHFFFAOYSA-N 1 1 310.358 -1.154 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1ccnnc1C ZINC001442467531 928948416 /nfs/dbraw/zinc/94/84/16/928948416.db2.gz VJPWMSHGSZFJDP-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1ccnnc1C ZINC001442467531 928948426 /nfs/dbraw/zinc/94/84/26/928948426.db2.gz VJPWMSHGSZFJDP-UHFFFAOYSA-N 1 1 308.342 -1.098 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC001442455849 928948540 /nfs/dbraw/zinc/94/85/40/928948540.db2.gz RFQOKTWCNZKHHR-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001442455849 928948551 /nfs/dbraw/zinc/94/85/51/928948551.db2.gz RFQOKTWCNZKHHR-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO CN(C)S(=O)(=O)CCC[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC001442455849 928948559 /nfs/dbraw/zinc/94/85/59/928948559.db2.gz RFQOKTWCNZKHHR-UHFFFAOYSA-N 1 1 318.403 -1.252 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)c1=O ZINC001442480531 928948827 /nfs/dbraw/zinc/94/88/27/928948827.db2.gz JNIRLVDPHHCCBO-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO Cn1cnn(CCC(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)c1=O ZINC001442480531 928948836 /nfs/dbraw/zinc/94/88/36/928948836.db2.gz JNIRLVDPHHCCBO-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442464257 928949394 /nfs/dbraw/zinc/94/93/94/928949394.db2.gz KKYOMMHWCGWIEE-SECBINFHSA-N 1 1 311.342 -1.739 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442464257 928949407 /nfs/dbraw/zinc/94/94/07/928949407.db2.gz KKYOMMHWCGWIEE-SECBINFHSA-N 1 1 311.342 -1.739 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@H+](C)Cc1cccnc1 ZINC001442486304 928950962 /nfs/dbraw/zinc/95/09/62/928950962.db2.gz IGVHPRATOKKRFE-UHFFFAOYSA-N 1 1 315.399 -1.317 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[N@@H+](C)Cc1cccnc1 ZINC001442486304 928950973 /nfs/dbraw/zinc/95/09/73/928950973.db2.gz IGVHPRATOKKRFE-UHFFFAOYSA-N 1 1 315.399 -1.317 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)NC1=O ZINC001442491366 928951007 /nfs/dbraw/zinc/95/10/07/928951007.db2.gz SGOSZSUZHRACBT-SSDOTTSWSA-N 1 1 300.319 -2.747 20 0 DAADMO CN1C[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)NC1=O ZINC001442491366 928951015 /nfs/dbraw/zinc/95/10/15/928951015.db2.gz SGOSZSUZHRACBT-SSDOTTSWSA-N 1 1 300.319 -2.747 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)NC1=O ZINC001442491416 928951112 /nfs/dbraw/zinc/95/11/12/928951112.db2.gz SGOSZSUZHRACBT-ZETCQYMHSA-N 1 1 300.319 -2.747 20 0 DAADMO CN1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)NC1=O ZINC001442491416 928951122 /nfs/dbraw/zinc/95/11/22/928951122.db2.gz SGOSZSUZHRACBT-ZETCQYMHSA-N 1 1 300.319 -2.747 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001442487160 928951483 /nfs/dbraw/zinc/95/14/83/928951483.db2.gz MXSQGACTLKEGSD-UHFFFAOYSA-N 1 1 312.334 -2.283 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001442487160 928951491 /nfs/dbraw/zinc/95/14/91/928951491.db2.gz MXSQGACTLKEGSD-UHFFFAOYSA-N 1 1 312.334 -2.283 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001442529481 928953760 /nfs/dbraw/zinc/95/37/60/928953760.db2.gz DMJZJNBYDYFMRI-JTQLQIEISA-N 1 1 308.342 -1.434 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001442529481 928953771 /nfs/dbraw/zinc/95/37/71/928953771.db2.gz DMJZJNBYDYFMRI-JTQLQIEISA-N 1 1 308.342 -1.434 20 0 DAADMO C[N@@H+](CCNC(=O)CCn1cnccc1=O)CCn1cncn1 ZINC001442558210 928954118 /nfs/dbraw/zinc/95/41/18/928954118.db2.gz HYBQWHCCEDRIEE-UHFFFAOYSA-N 1 1 319.369 -1.027 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001442585664 928954582 /nfs/dbraw/zinc/95/45/82/928954582.db2.gz UAZLUYWVPHQMLY-QMMMGPOBSA-N 1 1 321.341 -1.093 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)c1cnn2cc[nH]c12 ZINC001442585664 928954596 /nfs/dbraw/zinc/95/45/96/928954596.db2.gz UAZLUYWVPHQMLY-QMMMGPOBSA-N 1 1 321.341 -1.093 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001442607521 928955540 /nfs/dbraw/zinc/95/55/40/928955540.db2.gz WBBIKUJSVWHMOY-DTWKUNHWSA-N 1 1 304.372 -2.385 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCNC1=O ZINC001442607521 928955550 /nfs/dbraw/zinc/95/55/50/928955550.db2.gz WBBIKUJSVWHMOY-DTWKUNHWSA-N 1 1 304.372 -2.385 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCc1cnn(C)c1 ZINC001442610960 928955704 /nfs/dbraw/zinc/95/57/04/928955704.db2.gz HYOSIVYADKVBDH-UHFFFAOYSA-N 1 1 317.415 -1.440 20 0 DAADMO CC[N@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442638861 928958321 /nfs/dbraw/zinc/95/83/21/928958321.db2.gz DHJHIVXVXLKQFM-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCNC(=O)C1)CC(=O)NC(N)=O ZINC001442638861 928958329 /nfs/dbraw/zinc/95/83/29/928958329.db2.gz DHJHIVXVXLKQFM-VIFPVBQESA-N 1 1 313.358 -1.854 20 0 DAADMO CC[N@H+](CCNC(=O)CCNC(=O)NC)[C@H](C)C(=O)NC ZINC001442660891 928958920 /nfs/dbraw/zinc/95/89/20/928958920.db2.gz NGDLPEXJIAXNGN-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)CCNC(=O)NC)[C@H](C)C(=O)NC ZINC001442660891 928958934 /nfs/dbraw/zinc/95/89/34/928958934.db2.gz NGDLPEXJIAXNGN-SNVBAGLBSA-N 1 1 301.391 -1.122 20 0 DAADMO CC[N@@H+](CCNC(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCNC1=O ZINC001442654018 928959111 /nfs/dbraw/zinc/95/91/11/928959111.db2.gz WDRUEBIBPQOZQH-VIFPVBQESA-N 1 1 323.357 -2.296 20 0 DAADMO CC[N@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@H](C)C(N)=O ZINC001442690795 928960566 /nfs/dbraw/zinc/96/05/66/928960566.db2.gz DUFRNYZTWFMDDH-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@@H+](CCNC(=O)CCn1ncn(C)c1=O)[C@H](C)C(N)=O ZINC001442690795 928960573 /nfs/dbraw/zinc/96/05/73/928960573.db2.gz DUFRNYZTWFMDDH-SNVBAGLBSA-N 1 1 312.374 -1.716 20 0 DAADMO CC[N@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@H](C)C(N)=O ZINC001442678720 928960973 /nfs/dbraw/zinc/96/09/73/928960973.db2.gz MCCNZJQYDNYMCN-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CCNC(=O)CN(C)S(C)(=O)=O)[C@H](C)C(N)=O ZINC001442678720 928960984 /nfs/dbraw/zinc/96/09/84/928960984.db2.gz MCCNZJQYDNYMCN-SECBINFHSA-N 1 1 308.404 -1.810 20 0 DAADMO CC[N@@H+](CCNC(=O)c1nnn(C)n1)CCN1CCNC1=O ZINC001442707669 928963870 /nfs/dbraw/zinc/96/38/70/928963870.db2.gz XEMJXFVKOZCXIG-UHFFFAOYSA-N 1 1 310.362 -1.713 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001442785299 928966379 /nfs/dbraw/zinc/96/63/79/928966379.db2.gz QPRZMJUINWTDNE-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001442785299 928966389 /nfs/dbraw/zinc/96/63/89/928966389.db2.gz QPRZMJUINWTDNE-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CNC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442746869 928966456 /nfs/dbraw/zinc/96/64/56/928966456.db2.gz GTBBCHKEDYGNDQ-MNOVXSKESA-N 1 1 313.402 -1.170 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001442852525 928970429 /nfs/dbraw/zinc/97/04/29/928970429.db2.gz HJKGINQHTYOPJS-RKDXNWHRSA-N 1 1 311.342 -2.102 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001442841444 928970619 /nfs/dbraw/zinc/97/06/19/928970619.db2.gz UWLPNAYPOMYEIC-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001442841444 928970628 /nfs/dbraw/zinc/97/06/28/928970628.db2.gz UWLPNAYPOMYEIC-SNVBAGLBSA-N 1 1 322.369 -1.073 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001442854950 928972021 /nfs/dbraw/zinc/97/20/21/928972021.db2.gz KKTTYVUXKRFPIQ-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001442833240 928972596 /nfs/dbraw/zinc/97/25/96/928972596.db2.gz CSJHLQRIFISRLY-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001442833240 928972605 /nfs/dbraw/zinc/97/26/05/928972605.db2.gz CSJHLQRIFISRLY-SNVBAGLBSA-N 1 1 320.353 -1.016 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001442858341 928973882 /nfs/dbraw/zinc/97/38/82/928973882.db2.gz ARIAMUNRAAXTEE-NXEZZACHSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)NC(N)=O ZINC001442872657 928974361 /nfs/dbraw/zinc/97/43/61/928974361.db2.gz QZJHFKCNILLJOP-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001442882964 928975593 /nfs/dbraw/zinc/97/55/93/928975593.db2.gz KWGQPNBGIJMSBI-SNVBAGLBSA-N 1 1 323.353 -1.867 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001442882908 928975771 /nfs/dbraw/zinc/97/57/71/928975771.db2.gz KWGQPNBGIJMSBI-JTQLQIEISA-N 1 1 323.353 -1.867 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001442859154 928975904 /nfs/dbraw/zinc/97/59/04/928975904.db2.gz XIQMSTACEAVIIF-WDEREUQCSA-N 1 1 314.386 -1.549 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001442892334 928976770 /nfs/dbraw/zinc/97/67/70/928976770.db2.gz PDVNPAXBCSYXPI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001442904944 928977139 /nfs/dbraw/zinc/97/71/39/928977139.db2.gz LIGJMCBBGQLPLK-GXSJLCMTSA-N 1 1 324.385 -1.798 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001442897549 928977724 /nfs/dbraw/zinc/97/77/24/928977724.db2.gz XEUOGOXHAFDYSD-NSHDSACASA-N 1 1 311.390 -1.022 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001442902144 928978358 /nfs/dbraw/zinc/97/83/58/928978358.db2.gz CCFWVVNXKWQRTA-ZJUUUORDSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001442902142 928978398 /nfs/dbraw/zinc/97/83/98/928978398.db2.gz CCFWVVNXKWQRTA-UWVGGRQHSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442962873 928980108 /nfs/dbraw/zinc/98/01/08/928980108.db2.gz KSGXTJYRROOBMW-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO C[C@@H](CNC(=O)Cn1cncn1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442962873 928980114 /nfs/dbraw/zinc/98/01/14/928980114.db2.gz KSGXTJYRROOBMW-RYUDHWBXSA-N 1 1 324.385 -1.428 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001442947504 928980770 /nfs/dbraw/zinc/98/07/70/928980770.db2.gz VSQYVLFWJFZSRQ-WDEREUQCSA-N 1 1 313.402 -1.029 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001442998635 928983974 /nfs/dbraw/zinc/98/39/74/928983974.db2.gz ZITSGOSXCWSVAJ-GHMZBOCLSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001442998635 928983984 /nfs/dbraw/zinc/98/39/84/928983984.db2.gz ZITSGOSXCWSVAJ-GHMZBOCLSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001443002057 928984589 /nfs/dbraw/zinc/98/45/89/928984589.db2.gz ZOYVADKNYOPSFM-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001443002057 928984599 /nfs/dbraw/zinc/98/45/99/928984599.db2.gz ZOYVADKNYOPSFM-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001443006575 928985455 /nfs/dbraw/zinc/98/54/55/928985455.db2.gz PZJQZXIPDDGDBT-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@H+](CC(=O)N1CCC1)C1CC1 ZINC001442998178 928985646 /nfs/dbraw/zinc/98/56/46/928985646.db2.gz RLFOOLISLZPVMC-UHFFFAOYSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)NCC[N@@H+](CC(=O)N1CCC1)C1CC1 ZINC001442998178 928985652 /nfs/dbraw/zinc/98/56/52/928985652.db2.gz RLFOOLISLZPVMC-UHFFFAOYSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001443035791 928987650 /nfs/dbraw/zinc/98/76/50/928987650.db2.gz ZLIYGMCWPHNHMJ-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+](CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001443035791 928987660 /nfs/dbraw/zinc/98/76/60/928987660.db2.gz ZLIYGMCWPHNHMJ-VIFPVBQESA-N 1 1 309.374 -1.119 20 0 DAADMO CNC(=O)C[N@H+](CCNC(=O)c1nccnc1C(N)=O)C1CC1 ZINC001443040359 928988862 /nfs/dbraw/zinc/98/88/62/928988862.db2.gz FFSZEDROANRYAL-UHFFFAOYSA-N 1 1 320.353 -1.484 20 0 DAADMO CNC(=O)C[N@@H+](CCNC(=O)c1nccnc1C(N)=O)C1CC1 ZINC001443040359 928988867 /nfs/dbraw/zinc/98/88/67/928988867.db2.gz FFSZEDROANRYAL-UHFFFAOYSA-N 1 1 320.353 -1.484 20 0 DAADMO C[C@@H](O)C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001443065136 928988901 /nfs/dbraw/zinc/98/89/01/928988901.db2.gz YHZQIDKTACNCHX-MWLCHTKSSA-N 1 1 305.400 -1.361 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC1(CCO)CN(C(=O)c2nc[nH]n2)C1 ZINC001443051453 928989569 /nfs/dbraw/zinc/98/95/69/928989569.db2.gz XKNRFOIKFGSAAD-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H](O)C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001443065125 928989793 /nfs/dbraw/zinc/98/97/93/928989793.db2.gz YHZQIDKTACNCHX-GXSJLCMTSA-N 1 1 305.400 -1.361 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443157624 928992749 /nfs/dbraw/zinc/99/27/49/928992749.db2.gz FSYFQSRWZJKGKN-NSHDSACASA-N 1 1 323.401 -1.022 20 0 DAADMO CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443190223 928993836 /nfs/dbraw/zinc/99/38/36/928993836.db2.gz RMMLILCAMORLMA-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cnn(CC(=O)NCC[C@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001443244212 928995481 /nfs/dbraw/zinc/99/54/81/928995481.db2.gz XSXBHDNDFIILLE-LBPRGKRZSA-N 1 1 311.386 -1.208 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@H+](Cc3ncnn3C)C2)n1 ZINC001443234963 928995543 /nfs/dbraw/zinc/99/55/43/928995543.db2.gz DLXKTJRDBWNCNI-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ncnn3C)C2)n1 ZINC001443234963 928995554 /nfs/dbraw/zinc/99/55/54/928995554.db2.gz DLXKTJRDBWNCNI-SNVBAGLBSA-N 1 1 319.373 -1.019 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443246676 928996322 /nfs/dbraw/zinc/99/63/22/928996322.db2.gz GXQBNOSZLMAYNU-NSHDSACASA-N 1 1 314.386 -1.595 20 0 DAADMO Cn1cnn(CC(=O)NCC[C@@H]2CC[N@@H+](CCCO)C2)c1=O ZINC001443244209 928996672 /nfs/dbraw/zinc/99/66/72/928996672.db2.gz XSXBHDNDFIILLE-GFCCVEGCSA-N 1 1 311.386 -1.208 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)CCn3cncn3)C2)n1 ZINC001443314410 928998431 /nfs/dbraw/zinc/99/84/31/928998431.db2.gz ADVKYMYPOOVSFK-LLVKDONJSA-N 1 1 319.373 -1.104 20 0 DAADMO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001443312560 928999437 /nfs/dbraw/zinc/99/94/37/928999437.db2.gz RKVFZTZUQHGTBM-NWDGAFQWSA-N 1 1 322.427 -1.181 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001443323322 929000244 /nfs/dbraw/zinc/00/02/44/929000244.db2.gz JDZZUXZPNBZGOR-NSHDSACASA-N 1 1 313.402 -1.168 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335431 929000631 /nfs/dbraw/zinc/00/06/31/929000631.db2.gz PBAQTOSFMNKIIK-ZJUUUORDSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001443335421 929000812 /nfs/dbraw/zinc/00/08/12/929000812.db2.gz PBAQTOSFMNKIIK-VHSXEESVSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001443344795 929001759 /nfs/dbraw/zinc/00/17/59/929001759.db2.gz UPCVYDHXISRMDB-QWRGUYRKSA-N 1 1 324.385 -1.462 20 0 DAADMO C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001443336468 929001994 /nfs/dbraw/zinc/00/19/94/929001994.db2.gz LUGJTGDEFPTQBT-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001443538392 929011463 /nfs/dbraw/zinc/01/14/63/929011463.db2.gz CNBURPICKWNIHA-VHSXEESVSA-N 1 1 311.386 -1.288 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NC1CN([C@@H]2CCCNC2=O)C1 ZINC001443532512 929012792 /nfs/dbraw/zinc/01/27/92/929012792.db2.gz XBDRIVKFCQTVBE-CYBMUJFWSA-N 1 1 310.398 -1.212 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)Cn3cnnn3)C2)C1=O ZINC001443560112 929014680 /nfs/dbraw/zinc/01/46/80/929014680.db2.gz YZURHDNTTNDFQT-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001443579676 929015589 /nfs/dbraw/zinc/01/55/89/929015589.db2.gz HFHOLKIKGQCXDK-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H](C)NC(N)=O)C2)C1=O ZINC001443579670 929016077 /nfs/dbraw/zinc/01/60/77/929016077.db2.gz HFHOLKIKGQCXDK-GXSJLCMTSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](CC(=O)NCC1C[NH+]([C@@H](C)C(=O)N(C)C)C1)NC(N)=O ZINC001443578301 929017321 /nfs/dbraw/zinc/01/73/21/929017321.db2.gz JBTRIWQISIGYOU-UWVGGRQHSA-N 1 1 313.402 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCC1=O ZINC001443675750 929021273 /nfs/dbraw/zinc/02/12/73/929021273.db2.gz XDTAGMYYJPBBHB-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCC1=O ZINC001443675750 929021282 /nfs/dbraw/zinc/02/12/82/929021282.db2.gz XDTAGMYYJPBBHB-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001443723514 929023143 /nfs/dbraw/zinc/02/31/43/929023143.db2.gz AUYWKYRWAKJOQG-MNOVXSKESA-N 1 1 322.431 -1.392 20 0 DAADMO C[C@@H](CN(C)C(=O)Cn1cnnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001443719593 929023711 /nfs/dbraw/zinc/02/37/11/929023711.db2.gz WPSIATDVKDJMMD-WDEREUQCSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759810 929025455 /nfs/dbraw/zinc/02/54/55/929025455.db2.gz PEWFLQZDFLTAES-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1ncn(C)n1 ZINC001443759810 929025463 /nfs/dbraw/zinc/02/54/63/929025463.db2.gz PEWFLQZDFLTAES-GHMZBOCLSA-N 1 1 324.385 -1.278 20 0 DAADMO CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1)S(N)(=O)=O ZINC001443806637 929027858 /nfs/dbraw/zinc/02/78/58/929027858.db2.gz WDWJNVBOCPPJKY-MNOVXSKESA-N 1 1 307.416 -1.031 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001443774208 929028237 /nfs/dbraw/zinc/02/82/37/929028237.db2.gz VQJDKODFFLDQFU-JLLWLGSASA-N 1 1 314.386 -1.408 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1)C(N)=O ZINC001443774147 929029154 /nfs/dbraw/zinc/02/91/54/929029154.db2.gz UHEDQEGRDJVCEU-GDPRMGEGSA-N 1 1 300.359 -2.062 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443820027 929030081 /nfs/dbraw/zinc/03/00/81/929030081.db2.gz ZQCMWQLRBUNZDO-QWRGUYRKSA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001443820032 929030473 /nfs/dbraw/zinc/03/04/73/929030473.db2.gz ZQCMWQLRBUNZDO-WDEREUQCSA-N 1 1 309.374 -1.132 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001443819039 929031073 /nfs/dbraw/zinc/03/10/73/929031073.db2.gz UKYBQHRZINWCCD-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001443819039 929031087 /nfs/dbraw/zinc/03/10/87/929031087.db2.gz UKYBQHRZINWCCD-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443818524 929031572 /nfs/dbraw/zinc/03/15/72/929031572.db2.gz MMXNRRDBNWWGQZ-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)n1C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443818524 929031586 /nfs/dbraw/zinc/03/15/86/929031586.db2.gz MMXNRRDBNWWGQZ-QMMMGPOBSA-N 1 1 324.341 -1.533 20 0 DAADMO CN(C(=O)Cc1cncn1C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001443832120 929031661 /nfs/dbraw/zinc/03/16/61/929031661.db2.gz KCJMNWDPTLRQED-SNVBAGLBSA-N 1 1 322.369 -1.310 20 0 DAADMO CN(C(=O)Cc1cncn1C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001443832120 929031672 /nfs/dbraw/zinc/03/16/72/929031672.db2.gz KCJMNWDPTLRQED-SNVBAGLBSA-N 1 1 322.369 -1.310 20 0 DAADMO CCN(C(=O)CS(=O)(=O)NC)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001443879936 929033016 /nfs/dbraw/zinc/03/30/16/929033016.db2.gz QGZSTXGRXDDQCM-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CCN(C(=O)CS(=O)(=O)NC)[C@H]1CC[N@@H+](CCCO)C1 ZINC001443879942 929034223 /nfs/dbraw/zinc/03/42/23/929034223.db2.gz QGZSTXGRXDDQCM-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO CC[C@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cnn(CC)n1 ZINC001443913787 929034902 /nfs/dbraw/zinc/03/49/02/929034902.db2.gz HBGUYEFOHQYYES-SNVBAGLBSA-N 1 1 307.362 -1.031 20 0 DAADMO CC[C@H](CNC(=O)CN1CCNC(=O)C1)[NH2+]Cc1ncnn1C ZINC001443966634 929037437 /nfs/dbraw/zinc/03/74/37/929037437.db2.gz OQEUJOSCXRVWIZ-LLVKDONJSA-N 1 1 323.401 -1.769 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)[NH2+]Cc1nncn1C ZINC001444000045 929040081 /nfs/dbraw/zinc/04/00/81/929040081.db2.gz CJSZLQLKMDJQIY-BDAKNGLRSA-N 1 1 323.357 -1.602 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)CNC(N)=O ZINC001444013894 929040631 /nfs/dbraw/zinc/04/06/31/929040631.db2.gz ODMCKNNDUUTEPK-JTQLQIEISA-N 1 1 301.391 -1.040 20 0 DAADMO CCOCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444054054 929042092 /nfs/dbraw/zinc/04/20/92/929042092.db2.gz BYBQXVBGMWGKLL-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cnccn2)C1 ZINC001444056455 929044723 /nfs/dbraw/zinc/04/47/23/929044723.db2.gz AKOWZPAYXZKVLJ-GHMZBOCLSA-N 1 1 307.354 -1.365 20 0 DAADMO COCC(=O)NC[C@H](CO)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001444060811 929045201 /nfs/dbraw/zinc/04/52/01/929045201.db2.gz NPROMPJYHQHAPS-LLVKDONJSA-N 1 1 301.387 -1.042 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444062548 929046067 /nfs/dbraw/zinc/04/60/67/929046067.db2.gz BXGXBSZCXHHCGQ-CMPLNLGQSA-N 1 1 314.386 -1.942 20 0 DAADMO Cn1nnnc1C[NH2+]CC1(NC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001444066392 929047381 /nfs/dbraw/zinc/04/73/81/929047381.db2.gz MLEAYUVXFIWREV-VIFPVBQESA-N 1 1 323.357 -1.163 20 0 DAADMO CC(=O)NCC(=O)NC[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444077969 929049839 /nfs/dbraw/zinc/04/98/39/929049839.db2.gz TWVZMVQSLHPGAF-VXGBXAGGSA-N 1 1 314.386 -1.942 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CO)CNC(=O)Cn1cccn1 ZINC001444092090 929051047 /nfs/dbraw/zinc/05/10/47/929051047.db2.gz ITIXTKHMHNIGAF-GFCCVEGCSA-N 1 1 320.353 -1.318 20 0 DAADMO Cc1nc[nH]c1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001444102324 929054042 /nfs/dbraw/zinc/05/40/42/929054042.db2.gz HBFVVRWKPMSQSZ-AAEUAGOBSA-N 1 1 323.397 -1.052 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001444129600 929065596 /nfs/dbraw/zinc/06/55/96/929065596.db2.gz VTOHEPGRQSAMMC-RYUDHWBXSA-N 1 1 317.386 -1.665 20 0 DAADMO Cc1ccn(CC(=O)N[C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001444131258 929068162 /nfs/dbraw/zinc/06/81/62/929068162.db2.gz VGTOZQYQJMJRBP-STQMWFEESA-N 1 1 323.397 -1.121 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001444173658 929075265 /nfs/dbraw/zinc/07/52/65/929075265.db2.gz HIPONUJLHIXFBH-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001444179042 929077453 /nfs/dbraw/zinc/07/74/53/929077453.db2.gz WBDVULGGCCELNL-VHSXEESVSA-N 1 1 316.358 -1.970 20 0 DAADMO Cc1nccn1CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444183779 929078100 /nfs/dbraw/zinc/07/81/00/929078100.db2.gz FEHVINCJMYGWPO-OLZOCXBDSA-N 1 1 323.397 -1.263 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001444183065 929079243 /nfs/dbraw/zinc/07/92/43/929079243.db2.gz BMQXMHGLFZPWMP-UWVGGRQHSA-N 1 1 323.353 -1.659 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001444187895 929080333 /nfs/dbraw/zinc/08/03/33/929080333.db2.gz XOEAAWHLPCFCAC-MNOVXSKESA-N 1 1 324.385 -1.494 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444189329 929081465 /nfs/dbraw/zinc/08/14/65/929081465.db2.gz MKLDSYKBRCHULF-CMPLNLGQSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1ccnc(C(=O)N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001444189506 929083216 /nfs/dbraw/zinc/08/32/16/929083216.db2.gz MZGXBLSKMJFIPD-NWDGAFQWSA-N 1 1 321.381 -1.056 20 0 DAADMO C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)CN1CCCC1 ZINC001444200743 929084633 /nfs/dbraw/zinc/08/46/33/929084633.db2.gz WMXUIFFOTGKLIK-LBPRGKRZSA-N 1 1 300.403 -1.373 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)NC(=O)c1cccnn1 ZINC001444196436 929085133 /nfs/dbraw/zinc/08/51/33/929085133.db2.gz RNJCQCYWPJHDBQ-NSHDSACASA-N 1 1 318.337 -1.111 20 0 DAADMO C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)c2cnn[nH]2)CC1 ZINC001444218678 929086338 /nfs/dbraw/zinc/08/63/38/929086338.db2.gz IUIYGCYKCYJXHR-SNVBAGLBSA-N 1 1 310.358 -1.647 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1nnc[nH]1)C1CCC1 ZINC001444227067 929088881 /nfs/dbraw/zinc/08/88/81/929088881.db2.gz PBILKZFJONNGES-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1)C1CCC1 ZINC001444227067 929088886 /nfs/dbraw/zinc/08/88/86/929088886.db2.gz PBILKZFJONNGES-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1ncn[nH]1)C1CCC1 ZINC001444227067 929088895 /nfs/dbraw/zinc/08/88/95/929088895.db2.gz PBILKZFJONNGES-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1)C1CCC1 ZINC001444227067 929088905 /nfs/dbraw/zinc/08/89/05/929088905.db2.gz PBILKZFJONNGES-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)c1nc[nH]n1)C1CCC1 ZINC001444227067 929088916 /nfs/dbraw/zinc/08/89/16/929088916.db2.gz PBILKZFJONNGES-VIFPVBQESA-N 1 1 310.358 -1.504 20 0 DAADMO Cn1cc(C(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C2CCC2)nn1 ZINC001444236007 929091337 /nfs/dbraw/zinc/09/13/37/929091337.db2.gz ZAHLBFKCJOKYBP-SNVBAGLBSA-N 1 1 324.385 -1.494 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1[nH]nnc1C ZINC001444244284 929092398 /nfs/dbraw/zinc/09/23/98/929092398.db2.gz SNZDNZLPTTYQDK-SECBINFHSA-N 1 1 323.357 -1.237 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)c1ncn[nH]1 ZINC001444265839 929097430 /nfs/dbraw/zinc/09/74/30/929097430.db2.gz KKUAGXPUOKATET-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO O=C(NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)c1nc[nH]n1 ZINC001444265839 929097436 /nfs/dbraw/zinc/09/74/36/929097436.db2.gz KKUAGXPUOKATET-SNVBAGLBSA-N 1 1 322.369 -1.360 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)c1ncn[nH]1)[NH+](C)C ZINC001444269193 929097719 /nfs/dbraw/zinc/09/77/19/929097719.db2.gz IJZGEAIXDCRGIS-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)c1nc[nH]n1)[NH+](C)C ZINC001444269193 929097730 /nfs/dbraw/zinc/09/77/30/929097730.db2.gz IJZGEAIXDCRGIS-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](CO)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001444275168 929100979 /nfs/dbraw/zinc/10/09/79/929100979.db2.gz MXXKINYYMCRNMR-CIQGVGRVSA-N 1 1 322.365 -1.323 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccncn2)C1 ZINC001444283543 929101939 /nfs/dbraw/zinc/10/19/39/929101939.db2.gz XLXICZRYXDUPQR-MNOVXSKESA-N 1 1 307.354 -1.365 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](C)C[NH2+]Cc2nnn(C)n2)n1 ZINC001444307011 929108283 /nfs/dbraw/zinc/10/82/83/929108283.db2.gz HIMXFARTSQRXNT-SECBINFHSA-N 1 1 307.362 -1.023 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001444342090 929114395 /nfs/dbraw/zinc/11/43/95/929114395.db2.gz CSCKLKGUANGKMI-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001444342090 929114402 /nfs/dbraw/zinc/11/44/02/929114402.db2.gz CSCKLKGUANGKMI-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001444342090 929114406 /nfs/dbraw/zinc/11/44/06/929114406.db2.gz CSCKLKGUANGKMI-NEPJUHHUSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)NC(=O)Cn2cncn2)C1 ZINC001444342137 929114465 /nfs/dbraw/zinc/11/44/65/929114465.db2.gz HGJFJMHTDRUBMV-RYUDHWBXSA-N 1 1 324.385 -1.787 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001444330630 929114622 /nfs/dbraw/zinc/11/46/22/929114622.db2.gz YJLQDWVBNBLIED-WPRPVWTQSA-N 1 1 313.333 -1.150 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](CO)NC(=O)C1=COCCO1 ZINC001444354407 929115678 /nfs/dbraw/zinc/11/56/78/929115678.db2.gz SJXNDWJSPVQVGM-LLVKDONJSA-N 1 1 315.370 -1.190 20 0 DAADMO C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)Cc2nnc[nH]2)CCC1 ZINC001444344405 929116307 /nfs/dbraw/zinc/11/63/07/929116307.db2.gz UBDAQWAACGKJJW-SNVBAGLBSA-N 1 1 324.385 -1.575 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438701 929122619 /nfs/dbraw/zinc/12/26/19/929122619.db2.gz CHCCQXXKVHRRLG-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001444438701 929122625 /nfs/dbraw/zinc/12/26/25/929122625.db2.gz CHCCQXXKVHRRLG-VXGBXAGGSA-N 1 1 315.370 -1.957 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443242 929124192 /nfs/dbraw/zinc/12/41/92/929124192.db2.gz BVIGUGLUDDQELP-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOCC2)C1 ZINC001444443242 929124202 /nfs/dbraw/zinc/12/42/02/929124202.db2.gz BVIGUGLUDDQELP-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001444477666 929126025 /nfs/dbraw/zinc/12/60/25/929126025.db2.gz OLIZTXYQWBXFCX-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001444477666 929126030 /nfs/dbraw/zinc/12/60/30/929126030.db2.gz OLIZTXYQWBXFCX-NXEZZACHSA-N 1 1 309.388 -2.267 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486273 929126727 /nfs/dbraw/zinc/12/67/27/929126727.db2.gz QDJUKPQEEVMHJV-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001444486273 929126731 /nfs/dbraw/zinc/12/67/31/929126731.db2.gz QDJUKPQEEVMHJV-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001444604071 929133567 /nfs/dbraw/zinc/13/35/67/929133567.db2.gz XKLRJTUTMRWTCB-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CC(C)C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001444604071 929133574 /nfs/dbraw/zinc/13/35/74/929133574.db2.gz XKLRJTUTMRWTCB-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001444628390 929136819 /nfs/dbraw/zinc/13/68/19/929136819.db2.gz ABTXFBZZCCTFBQ-SECBINFHSA-N 1 1 323.357 -1.090 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001444643403 929138622 /nfs/dbraw/zinc/13/86/22/929138622.db2.gz AXFBKMZFDUMLGK-MWLCHTKSSA-N 1 1 309.374 -1.225 20 0 DAADMO C[C@@H](C[NH2+]Cc1cnn(C)n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001444643410 929139127 /nfs/dbraw/zinc/13/91/27/929139127.db2.gz AXFBKMZFDUMLGK-ONGXEEELSA-N 1 1 309.374 -1.225 20 0 DAADMO CN(C[C@@H](O)CNC(=O)c1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444655623 929139916 /nfs/dbraw/zinc/13/99/16/929139916.db2.gz RRURMIQCNVGSGC-YPMHNXCESA-N 1 1 323.397 -1.079 20 0 DAADMO CN(C[C@H](O)CNC(=O)c1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444655468 929140752 /nfs/dbraw/zinc/14/07/52/929140752.db2.gz RBYDVWPGLYQGBE-VHSXEESVSA-N 1 1 311.342 -1.430 20 0 DAADMO C[C@H](C[NH2+]Cc1nnnn1C)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001444714076 929147643 /nfs/dbraw/zinc/14/76/43/929147643.db2.gz BYRLCXQFOJMNOQ-SECBINFHSA-N 1 1 322.373 -1.502 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001444709532 929148843 /nfs/dbraw/zinc/14/88/43/929148843.db2.gz SJBUVDOBXUPVCS-SNVBAGLBSA-N 1 1 312.374 -1.304 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001444730492 929152124 /nfs/dbraw/zinc/15/21/24/929152124.db2.gz VVDZBCWCCARNAB-JTQLQIEISA-N 1 1 315.399 -1.038 20 0 DAADMO C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001444797729 929155087 /nfs/dbraw/zinc/15/50/87/929155087.db2.gz WPMJMWMYRMZBTD-UWVGGRQHSA-N 1 1 324.389 -1.405 20 0 DAADMO COCC(=O)N(C)CC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001444932822 929156825 /nfs/dbraw/zinc/15/68/25/929156825.db2.gz VMDBCHGDSIDZPB-UHFFFAOYSA-N 1 1 312.370 -1.379 20 0 DAADMO COCC(=O)N(C)CC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001444932822 929156832 /nfs/dbraw/zinc/15/68/32/929156832.db2.gz VMDBCHGDSIDZPB-UHFFFAOYSA-N 1 1 312.370 -1.379 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001444955409 929157342 /nfs/dbraw/zinc/15/73/42/929157342.db2.gz VUPITQNOZOGMDC-DTWKUNHWSA-N 1 1 315.374 -1.515 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001444955409 929157362 /nfs/dbraw/zinc/15/73/62/929157362.db2.gz VUPITQNOZOGMDC-DTWKUNHWSA-N 1 1 315.374 -1.515 20 0 DAADMO CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444988456 929159730 /nfs/dbraw/zinc/15/97/30/929159730.db2.gz MMDFSPZKQAHAPN-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444988456 929159737 /nfs/dbraw/zinc/15/97/37/929159737.db2.gz MMDFSPZKQAHAPN-JTQLQIEISA-N 1 1 322.431 -1.550 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001444985461 929160433 /nfs/dbraw/zinc/16/04/33/929160433.db2.gz FLUBVPIIWQKXDL-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001444985461 929160440 /nfs/dbraw/zinc/16/04/40/929160440.db2.gz FLUBVPIIWQKXDL-VIFPVBQESA-N 1 1 308.404 -1.810 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@H+](C)[C@H]2CCNC2=O)nn1 ZINC001444980825 929160655 /nfs/dbraw/zinc/16/06/55/929160655.db2.gz VKNGYLQYHGWCSY-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO COCCn1cc(C(=O)N(C)CC[N@@H+](C)[C@H]2CCNC2=O)nn1 ZINC001444980825 929160660 /nfs/dbraw/zinc/16/06/60/929160660.db2.gz VKNGYLQYHGWCSY-LBPRGKRZSA-N 1 1 324.385 -1.183 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001445090531 929162013 /nfs/dbraw/zinc/16/20/13/929162013.db2.gz LPDNQFISJVCXEQ-SNVBAGLBSA-N 1 1 310.358 -1.143 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1ccnc1 ZINC001445090531 929162022 /nfs/dbraw/zinc/16/20/22/929162022.db2.gz LPDNQFISJVCXEQ-SNVBAGLBSA-N 1 1 310.358 -1.143 20 0 DAADMO CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ncccn1 ZINC001445047700 929162824 /nfs/dbraw/zinc/16/28/24/929162824.db2.gz JQDCONADIKRURW-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CCc1ncccn1 ZINC001445047700 929162831 /nfs/dbraw/zinc/16/28/31/929162831.db2.gz JQDCONADIKRURW-UHFFFAOYSA-N 1 1 322.369 -1.006 20 0 DAADMO C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001445026546 929162928 /nfs/dbraw/zinc/16/29/28/929162928.db2.gz HDZVOJQFKHZLMY-QWRGUYRKSA-N 1 1 323.401 -1.110 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001445026546 929162937 /nfs/dbraw/zinc/16/29/37/929162937.db2.gz HDZVOJQFKHZLMY-QWRGUYRKSA-N 1 1 323.401 -1.110 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001445089006 929163019 /nfs/dbraw/zinc/16/30/19/929163019.db2.gz IRFLVCLFIIKUTE-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001445089006 929163025 /nfs/dbraw/zinc/16/30/25/929163025.db2.gz IRFLVCLFIIKUTE-JTQLQIEISA-N 1 1 320.415 -1.844 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001445094054 929163114 /nfs/dbraw/zinc/16/31/14/929163114.db2.gz UMMZRQQQBHFZBZ-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001445094054 929163118 /nfs/dbraw/zinc/16/31/18/929163118.db2.gz UMMZRQQQBHFZBZ-UHFFFAOYSA-N 1 1 322.431 -1.596 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1)c1nncn1C ZINC001445131458 929164576 /nfs/dbraw/zinc/16/45/76/929164576.db2.gz IUCKFBYTBKGNAA-GXSJLCMTSA-N 1 1 307.358 -1.010 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H](O)C[NH2+]Cc1coc(C2CC2)n1 ZINC001445127465 929164907 /nfs/dbraw/zinc/16/49/07/929164907.db2.gz FAXRNKMRBQBXPO-LLVKDONJSA-N 1 1 321.341 -1.195 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cnnn1)c1ncccn1 ZINC001445141337 929166928 /nfs/dbraw/zinc/16/69/28/929166928.db2.gz ZTROEPNQGCRZSE-UWVGGRQHSA-N 1 1 306.330 -1.709 20 0 DAADMO CC(C)SCC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001445134149 929167080 /nfs/dbraw/zinc/16/70/80/929167080.db2.gz JXPAAPINOMHCCX-SECBINFHSA-N 1 1 302.404 -1.082 20 0 DAADMO CCn1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001445150291 929169042 /nfs/dbraw/zinc/16/90/42/929169042.db2.gz NUZNWBQWBLVVQU-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C2CC2)nn1 ZINC001445151627 929169397 /nfs/dbraw/zinc/16/93/97/929169397.db2.gz IROCZXDHVVSCFS-OCCSQVGLSA-N 1 1 311.386 -1.067 20 0 DAADMO Cc1cnc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)cn1 ZINC001445148616 929169926 /nfs/dbraw/zinc/16/99/26/929169926.db2.gz VFFBXEFEMOXPRZ-UWVGGRQHSA-N 1 1 320.357 -1.250 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)n1cccn1 ZINC001445156420 929171064 /nfs/dbraw/zinc/17/10/64/929171064.db2.gz LBZQKBZWGWJXLJ-UWVGGRQHSA-N 1 1 308.346 -1.766 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001445154079 929171393 /nfs/dbraw/zinc/17/13/93/929171393.db2.gz IIZOFVPPSHYCRK-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO Cn1nnc(CNC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001445154079 929171399 /nfs/dbraw/zinc/17/13/99/929171399.db2.gz IIZOFVPPSHYCRK-VHSXEESVSA-N 1 1 313.362 -2.893 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001445157921 929171849 /nfs/dbraw/zinc/17/18/49/929171849.db2.gz MIZGCYWXRKMGLJ-MNOVXSKESA-N 1 1 313.358 -1.720 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001445156183 929172146 /nfs/dbraw/zinc/17/21/46/929172146.db2.gz MOSXKPZJWSDYJW-QMMMGPOBSA-N 1 1 301.372 -1.369 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CN2CCOCC2)nn1 ZINC001445159175 929173121 /nfs/dbraw/zinc/17/31/21/929173121.db2.gz SANPINQIPSRRQM-GFCCVEGCSA-N 1 1 312.374 -2.286 20 0 DAADMO Cc1cncc(C(=O)NC[C@H](O)C[NH2+]Cc2nnnn2C)c1 ZINC001445164594 929173812 /nfs/dbraw/zinc/17/38/12/929173812.db2.gz WCVXKHMEFZRPIS-LLVKDONJSA-N 1 1 305.342 -1.206 20 0 DAADMO Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001445161780 929174187 /nfs/dbraw/zinc/17/41/87/929174187.db2.gz YJLRESRQPXQSJK-UWVGGRQHSA-N 1 1 309.330 -1.203 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445179098 929175898 /nfs/dbraw/zinc/17/58/98/929175898.db2.gz JMGVXOXUTQGOHX-UONOGXRCSA-N 1 1 322.413 -1.276 20 0 DAADMO COc1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2nncn2C)ncn1 ZINC001445173527 929176365 /nfs/dbraw/zinc/17/63/65/929176365.db2.gz BDVQSLBYHPUTSD-VIFPVBQESA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nc(CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001445174813 929176374 /nfs/dbraw/zinc/17/63/74/929176374.db2.gz DDWPOHUDXUAKSW-NXEZZACHSA-N 1 1 310.358 -2.047 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2nncn2C)ncn1 ZINC001445173515 929176576 /nfs/dbraw/zinc/17/65/76/929176576.db2.gz BDVQSLBYHPUTSD-SECBINFHSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)n[nH]1 ZINC001445174819 929176848 /nfs/dbraw/zinc/17/68/48/929176848.db2.gz DDWPOHUDXUAKSW-VHSXEESVSA-N 1 1 310.358 -2.047 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)[nH]1 ZINC001445179955 929178103 /nfs/dbraw/zinc/17/81/03/929178103.db2.gz CMAGOSNNYVGHNF-MNOVXSKESA-N 1 1 324.385 -1.404 20 0 DAADMO Cc1ncc(CC(=O)NC[C@@H](O)C[NH2+]Cc2nnnn2C)o1 ZINC001445186479 929178452 /nfs/dbraw/zinc/17/84/52/929178452.db2.gz IMJGQZBJRJEPSH-VIFPVBQESA-N 1 1 309.330 -1.684 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CCC(=O)NC2)[nH]1 ZINC001445179951 929179066 /nfs/dbraw/zinc/17/90/66/929179066.db2.gz CMAGOSNNYVGHNF-GHMZBOCLSA-N 1 1 324.385 -1.404 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)nn1 ZINC001445183581 929179104 /nfs/dbraw/zinc/17/91/04/929179104.db2.gz MGUOYUSDWTWZGS-SUHUHFCYSA-N 1 1 309.370 -1.099 20 0 DAADMO COc1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)ncn1 ZINC001445191580 929180239 /nfs/dbraw/zinc/18/02/39/929180239.db2.gz XTSMXNJDBNNQFJ-SECBINFHSA-N 1 1 308.298 -1.251 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001445187405 929180647 /nfs/dbraw/zinc/18/06/47/929180647.db2.gz BZDPTWFBEQXJDW-NWDGAFQWSA-N 1 1 321.381 -1.170 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)Cc1cncs1 ZINC001445192074 929181009 /nfs/dbraw/zinc/18/10/09/929181009.db2.gz URERXGJZKFKQTA-MRVPVSSYSA-N 1 1 311.371 -1.524 20 0 DAADMO NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001445188418 929181063 /nfs/dbraw/zinc/18/10/63/929181063.db2.gz UDNPWSTVUDHOIB-SECBINFHSA-N 1 1 309.370 -1.617 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001445187403 929181395 /nfs/dbraw/zinc/18/13/95/929181395.db2.gz BZDPTWFBEQXJDW-NEPJUHHUSA-N 1 1 321.381 -1.170 20 0 DAADMO CCn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2cn(C)nn2)n1 ZINC001445193954 929182685 /nfs/dbraw/zinc/18/26/85/929182685.db2.gz QUESVNYYQYJFHI-SNVBAGLBSA-N 1 1 308.346 -1.693 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)c2ncn(C)n2)[nH]1 ZINC001445200834 929184528 /nfs/dbraw/zinc/18/45/28/929184528.db2.gz WCVPBURQLKZOHK-CBAPKCEASA-N 1 1 308.346 -1.317 20 0 DAADMO COc1nc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)co1 ZINC001445202189 929184706 /nfs/dbraw/zinc/18/47/06/929184706.db2.gz IONFTXMPEIONCZ-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001445206504 929185402 /nfs/dbraw/zinc/18/54/02/929185402.db2.gz LHAGSBHATRGEOX-YUMQZZPRSA-N 1 1 320.375 -2.790 20 0 DAADMO Cn1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)n1 ZINC001445200697 929185596 /nfs/dbraw/zinc/18/55/96/929185596.db2.gz VZVLZLPQKNIGEC-SECBINFHSA-N 1 1 320.357 -1.309 20 0 DAADMO COCC1(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001445210580 929186342 /nfs/dbraw/zinc/18/63/42/929186342.db2.gz MTZVQOUSVLLQRJ-VHSXEESVSA-N 1 1 312.374 -1.236 20 0 DAADMO CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)c2cnn[nH]2)CC1 ZINC001445209965 929186396 /nfs/dbraw/zinc/18/63/96/929186396.db2.gz SJDUNZNSHNEVES-NSHDSACASA-N 1 1 324.385 -1.257 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnn[nH]1 ZINC001445210618 929186563 /nfs/dbraw/zinc/18/65/63/929186563.db2.gz URZPWTOGMIJBHI-ZJUUUORDSA-N 1 1 312.374 -1.354 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001445210859 929187152 /nfs/dbraw/zinc/18/71/52/929187152.db2.gz AFKLQPAXGDSPHB-ZJUUUORDSA-N 1 1 310.358 -1.997 20 0 DAADMO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)c2cnn[nH]2)C1=O ZINC001445212113 929187530 /nfs/dbraw/zinc/18/75/30/929187530.db2.gz WKPBOSZLRQWCCG-ZJUUUORDSA-N 1 1 324.385 -1.116 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O)nn1 ZINC001445217674 929188536 /nfs/dbraw/zinc/18/85/36/929188536.db2.gz WOHOELKFORZFMK-SNVBAGLBSA-N 1 1 319.387 -2.184 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2C)nn1 ZINC001445218768 929188735 /nfs/dbraw/zinc/18/87/35/929188735.db2.gz NEGKYGFWQXSXOZ-QWRGUYRKSA-N 1 1 310.358 -1.997 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001445215286 929189701 /nfs/dbraw/zinc/18/97/01/929189701.db2.gz AHKFYCOLWWMCBD-LLVKDONJSA-N 1 1 311.342 -2.327 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CC(N)=O)s1 ZINC001445218971 929189737 /nfs/dbraw/zinc/18/97/37/929189737.db2.gz FHKBXSBJMRNQLI-VXNVDRBHSA-N 1 1 315.399 -1.075 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001445213121 929189950 /nfs/dbraw/zinc/18/99/50/929189950.db2.gz RMMAVJPXQQXKTC-MWLCHTKSSA-N 1 1 310.358 -2.092 20 0 DAADMO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cnn3c2CCC3)nn1 ZINC001445215506 929189983 /nfs/dbraw/zinc/18/99/83/929189983.db2.gz YFPQCJCVNUEPEM-NSHDSACASA-N 1 1 319.369 -1.162 20 0 DAADMO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001445216632 929190157 /nfs/dbraw/zinc/19/01/57/929190157.db2.gz VEZBZUTYGHOJMP-OLZOCXBDSA-N 1 1 310.402 -1.134 20 0 DAADMO Cn1nncc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445221187 929191882 /nfs/dbraw/zinc/19/18/82/929191882.db2.gz BHJBDBJRMRTKCD-ZDUSSCGKSA-N 1 1 310.402 -1.276 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1)c1nncn1C ZINC001445226617 929193796 /nfs/dbraw/zinc/19/37/96/929193796.db2.gz BRMJXKCLKDAHSF-IUCAKERBSA-N 1 1 321.341 -1.660 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)c2c[nH]c(=O)n2C)n1 ZINC001445231779 929194171 /nfs/dbraw/zinc/19/41/71/929194171.db2.gz ZBVCJEDZZRXNDM-VIFPVBQESA-N 1 1 309.330 -1.865 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 ZINC001445234251 929196378 /nfs/dbraw/zinc/19/63/78/929196378.db2.gz PGRWVQYAOARBGI-DGCLKSJQSA-N 1 1 315.349 -1.007 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001445235542 929196640 /nfs/dbraw/zinc/19/66/40/929196640.db2.gz ANFCBDLPUNLTQV-WCBMZHEXSA-N 1 1 320.371 -1.821 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001445235090 929197106 /nfs/dbraw/zinc/19/71/06/929197106.db2.gz XOCBRDVYTOUAMT-WDEREUQCSA-N 1 1 324.385 -1.515 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)[nH]1 ZINC001445237525 929197156 /nfs/dbraw/zinc/19/71/56/929197156.db2.gz CFOJHZRJOJPQON-WPRPVWTQSA-N 1 1 322.373 -1.008 20 0 DAADMO CCn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(F)CCOC2)nn1 ZINC001445234252 929197195 /nfs/dbraw/zinc/19/71/95/929197195.db2.gz PGRWVQYAOARBGI-WCQYABFASA-N 1 1 315.349 -1.007 20 0 DAADMO CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001445241352 929197252 /nfs/dbraw/zinc/19/72/52/929197252.db2.gz BJSFAJYZUFHNCG-LLVKDONJSA-N 1 1 311.386 -1.066 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)c1ncn[nH]1 ZINC001445247713 929198070 /nfs/dbraw/zinc/19/80/70/929198070.db2.gz FFJCDDQVQPYCLB-IUCAKERBSA-N 1 1 306.330 -1.736 20 0 DAADMO O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)c1nc[nH]n1 ZINC001445247713 929198076 /nfs/dbraw/zinc/19/80/76/929198076.db2.gz FFJCDDQVQPYCLB-IUCAKERBSA-N 1 1 306.330 -1.736 20 0 DAADMO Cc1ccnn1CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001445248862 929198291 /nfs/dbraw/zinc/19/82/91/929198291.db2.gz INMFKLJIAMGGPD-GFCCVEGCSA-N 1 1 307.358 -1.413 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)nc1 ZINC001445247921 929198958 /nfs/dbraw/zinc/19/89/58/929198958.db2.gz PGUGBPCBAUVEKR-AXFHLTTASA-N 1 1 307.354 -1.527 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1 ZINC001445253530 929201321 /nfs/dbraw/zinc/20/13/21/929201321.db2.gz WNMBBMMAXOYHND-WDEREUQCSA-N 1 1 312.374 -1.405 20 0 DAADMO Cc1nc[nH]c1CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001445257022 929201722 /nfs/dbraw/zinc/20/17/22/929201722.db2.gz PCDHIMHYKXBISZ-JTQLQIEISA-N 1 1 307.358 -1.344 20 0 DAADMO CC(=O)N[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)C(C)C ZINC001445258048 929201882 /nfs/dbraw/zinc/20/18/82/929201882.db2.gz GNPDQNUUVNMQKK-NWDGAFQWSA-N 1 1 313.358 -1.203 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1ncn[nH]1)N1CCCCC1 ZINC001445253134 929202286 /nfs/dbraw/zinc/20/22/86/929202286.db2.gz NDSZUOXWDZUCSU-SNVBAGLBSA-N 1 1 310.358 -1.503 20 0 DAADMO O=C(C[NH2+]C[C@@H](O)CNC(=O)c1nc[nH]n1)N1CCCCC1 ZINC001445253134 929202291 /nfs/dbraw/zinc/20/22/91/929202291.db2.gz NDSZUOXWDZUCSU-SNVBAGLBSA-N 1 1 310.358 -1.503 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ncnn2C)n(C)c1=O ZINC001445263917 929203048 /nfs/dbraw/zinc/20/30/48/929203048.db2.gz GLZMTQTYLBLKRW-SECBINFHSA-N 1 1 323.357 -2.267 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)nn1 ZINC001445261183 929203600 /nfs/dbraw/zinc/20/36/00/929203600.db2.gz NJWASETZRRRTQY-NEPJUHHUSA-N 1 1 324.385 -1.296 20 0 DAADMO Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001445260723 929204272 /nfs/dbraw/zinc/20/42/72/929204272.db2.gz ABTXIBFDRSOJJC-LLVKDONJSA-N 1 1 321.385 -1.036 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)COc2cccnc2)nn1 ZINC001445262331 929204804 /nfs/dbraw/zinc/20/48/04/929204804.db2.gz YFWXARICEXLTSE-GFCCVEGCSA-N 1 1 320.353 -1.144 20 0 DAADMO CC(=O)NCC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001445262463 929205109 /nfs/dbraw/zinc/20/51/09/929205109.db2.gz YQQWORHGZQPGGE-LLVKDONJSA-N 1 1 313.358 -1.201 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001445259595 929205134 /nfs/dbraw/zinc/20/51/34/929205134.db2.gz UXLWCTMFSXWIKQ-ZJUUUORDSA-N 1 1 310.358 -1.950 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)on1 ZINC001445270075 929206671 /nfs/dbraw/zinc/20/66/71/929206671.db2.gz GINKFZRYDWMEPU-JTQLQIEISA-N 1 1 320.371 -1.901 20 0 DAADMO CCn1cc(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nncn2C)nn1 ZINC001445272230 929209206 /nfs/dbraw/zinc/20/92/06/929209206.db2.gz JQIYVSXVPLHEND-NXEZZACHSA-N 1 1 322.373 -1.132 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cncn2)s1 ZINC001445278571 929211352 /nfs/dbraw/zinc/21/13/52/929211352.db2.gz ZSEOWXYGKPRUOD-SECBINFHSA-N 1 1 311.371 -1.295 20 0 DAADMO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CCn2cnnn2)no1 ZINC001445281962 929213792 /nfs/dbraw/zinc/21/37/92/929213792.db2.gz XBRXOZWIDQNNKF-NSHDSACASA-N 1 1 309.330 -1.373 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2n[nH]c(=O)[n-]2)C1 ZINC001445279575 929213959 /nfs/dbraw/zinc/21/39/59/929213959.db2.gz RJSVSMHOQYHAJF-UWVGGRQHSA-N 1 1 312.374 -1.581 20 0 DAADMO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001445283602 929216021 /nfs/dbraw/zinc/21/60/21/929216021.db2.gz ZLNOLNBLFXTVEK-JTQLQIEISA-N 1 1 321.341 -1.587 20 0 DAADMO C[C@H](C[NH2+]Cc1cnn(C)n1)NC(=O)COCc1nncn1C ZINC001445475701 929222137 /nfs/dbraw/zinc/22/21/37/929222137.db2.gz JKVMYOWFOVTBEP-SNVBAGLBSA-N 1 1 322.373 -1.245 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445454049 929223129 /nfs/dbraw/zinc/22/31/29/929223129.db2.gz YOWWVLWPLBEDQD-SVRRBLITSA-N 1 1 310.314 -1.430 20 0 DAADMO C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445507004 929229124 /nfs/dbraw/zinc/22/91/24/929229124.db2.gz YAKIAGKPBWCCMY-BDAKNGLRSA-N 1 1 316.387 -1.899 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1O ZINC001445505820 929229919 /nfs/dbraw/zinc/22/99/19/929229919.db2.gz OOHIOUQRXGGZTO-YUSALJHKSA-N 1 1 310.354 -1.086 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1O ZINC001445522496 929233396 /nfs/dbraw/zinc/23/33/96/929233396.db2.gz YQWLYVWEZOOXMO-ZYHUDNBSSA-N 1 1 324.385 -1.542 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1O ZINC001445522498 929233857 /nfs/dbraw/zinc/23/38/57/929233857.db2.gz YVUWQLXVCSKPFJ-GHMZBOCLSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnc2n1CCOC2)NC(=O)[C@H]1COC(=O)N1 ZINC001445557355 929235294 /nfs/dbraw/zinc/23/52/94/929235294.db2.gz WAHDCCYJIIGXLE-DTWKUNHWSA-N 1 1 324.341 -1.489 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001445582735 929235645 /nfs/dbraw/zinc/23/56/45/929235645.db2.gz TVQUZPQAFQDHOI-UWVGGRQHSA-N 1 1 309.374 -1.137 20 0 DAADMO COCCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001445620328 929240088 /nfs/dbraw/zinc/24/00/88/929240088.db2.gz BMMMBZNIUVEUEX-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001445646395 929245243 /nfs/dbraw/zinc/24/52/43/929245243.db2.gz OFFFJNDXFNCGOI-ZJUUUORDSA-N 1 1 315.374 -2.317 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNCc2nnnn2C)C1 ZINC001445657918 929247843 /nfs/dbraw/zinc/24/78/43/929247843.db2.gz OQNRBXMPLKJEBJ-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CNCc2nnnn2C)C1 ZINC001445657918 929247847 /nfs/dbraw/zinc/24/78/47/929247847.db2.gz OQNRBXMPLKJEBJ-WDEREUQCSA-N 1 1 311.390 -1.475 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001445661110 929247920 /nfs/dbraw/zinc/24/79/20/929247920.db2.gz XEXIPFLHDMUTPJ-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445664931 929250637 /nfs/dbraw/zinc/25/06/37/929250637.db2.gz AYYSZZVYJGAPAA-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001445664931 929250646 /nfs/dbraw/zinc/25/06/46/929250646.db2.gz AYYSZZVYJGAPAA-QMMMGPOBSA-N 1 1 301.347 -1.985 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445668372 929250688 /nfs/dbraw/zinc/25/06/88/929250688.db2.gz DSXBEZZJDUHUQZ-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001445668372 929250699 /nfs/dbraw/zinc/25/06/99/929250699.db2.gz DSXBEZZJDUHUQZ-BDAKNGLRSA-N 1 1 315.374 -1.597 20 0 DAADMO C[C@@H](CN(C)Cc1nnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445705289 929251664 /nfs/dbraw/zinc/25/16/64/929251664.db2.gz LACIIGNYDWXXGX-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)Cc1nnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445705289 929251671 /nfs/dbraw/zinc/25/16/71/929251671.db2.gz LACIIGNYDWXXGX-QWRGUYRKSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445681934 929252305 /nfs/dbraw/zinc/25/23/05/929252305.db2.gz ATMMCFGSXBHHRS-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445681934 929252311 /nfs/dbraw/zinc/25/23/11/929252311.db2.gz ATMMCFGSXBHHRS-IUCAKERBSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@H](C[N@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COCCO1 ZINC001445690856 929252516 /nfs/dbraw/zinc/25/25/16/929252516.db2.gz HVFLNFJVQMTJMG-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@H](C[N@@H+](C)CCNS(C)(=O)=O)NC(=O)[C@H]1COCCO1 ZINC001445690856 929252528 /nfs/dbraw/zinc/25/25/28/929252528.db2.gz HVFLNFJVQMTJMG-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445681932 929252802 /nfs/dbraw/zinc/25/28/02/929252802.db2.gz ATMMCFGSXBHHRS-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445681932 929252814 /nfs/dbraw/zinc/25/28/14/929252814.db2.gz ATMMCFGSXBHHRS-DTWKUNHWSA-N 1 1 313.358 -1.856 20 0 DAADMO C[C@@H](CN(C)Cc1nnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445705291 929253377 /nfs/dbraw/zinc/25/33/77/929253377.db2.gz LACIIGNYDWXXGX-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@@H](CN(C)Cc1nnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445705291 929253390 /nfs/dbraw/zinc/25/33/90/929253390.db2.gz LACIIGNYDWXXGX-WDEREUQCSA-N 1 1 311.390 -1.523 20 0 DAADMO Cc1c(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001445701961 929253424 /nfs/dbraw/zinc/25/34/24/929253424.db2.gz FARARGLFHCJRTR-SSDOTTSWSA-N 1 1 311.346 -1.631 20 0 DAADMO Cc1c(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)nnn1C ZINC001445701961 929253433 /nfs/dbraw/zinc/25/34/33/929253433.db2.gz FARARGLFHCJRTR-SSDOTTSWSA-N 1 1 311.346 -1.631 20 0 DAADMO C[C@H](CN(C)Cc1nnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445705284 929253504 /nfs/dbraw/zinc/25/35/04/929253504.db2.gz LACIIGNYDWXXGX-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CN(C)Cc1nnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445705284 929253513 /nfs/dbraw/zinc/25/35/13/929253513.db2.gz LACIIGNYDWXXGX-MNOVXSKESA-N 1 1 311.390 -1.523 20 0 DAADMO C[C@H](CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716133 929253576 /nfs/dbraw/zinc/25/35/76/929253576.db2.gz HCKCIHOUZRYQKG-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO C[C@H](CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C)NC(N)=O ZINC001445716133 929253586 /nfs/dbraw/zinc/25/35/86/929253586.db2.gz HCKCIHOUZRYQKG-NXEZZACHSA-N 1 1 301.391 -1.042 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCN1CCNC1=O ZINC001445744274 929255296 /nfs/dbraw/zinc/25/52/96/929255296.db2.gz UWUIQUWFDLMHQL-JTQLQIEISA-N 1 1 314.390 -1.623 20 0 DAADMO C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)CN1CCOCC1=O ZINC001445745937 929255774 /nfs/dbraw/zinc/25/57/74/929255774.db2.gz NGLYSGZUUZRBJK-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O)nn1 ZINC001445717264 929256055 /nfs/dbraw/zinc/25/60/55/929256055.db2.gz JZHKAPAZBROOLS-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O)nn1 ZINC001445717264 929256067 /nfs/dbraw/zinc/25/60/67/929256067.db2.gz JZHKAPAZBROOLS-VHSXEESVSA-N 1 1 312.374 -1.152 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001445760329 929256664 /nfs/dbraw/zinc/25/66/64/929256664.db2.gz WDQUHTTZHHAXBW-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001445760329 929256672 /nfs/dbraw/zinc/25/66/72/929256672.db2.gz WDQUHTTZHHAXBW-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001445787016 929257600 /nfs/dbraw/zinc/25/76/00/929257600.db2.gz JEUUJJKCAIQNNQ-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445760016 929257708 /nfs/dbraw/zinc/25/77/08/929257708.db2.gz BIXKOWZOWXRQMZ-ZJUUUORDSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001445760016 929257719 /nfs/dbraw/zinc/25/77/19/929257719.db2.gz BIXKOWZOWXRQMZ-ZJUUUORDSA-N 1 1 312.374 -1.718 20 0 DAADMO C[C@@H](C[N@H+](C)CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001445761435 929257833 /nfs/dbraw/zinc/25/78/33/929257833.db2.gz JLLAHSBBMIPEEA-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](C[N@@H+](C)CC(=O)N1CCC1)NC(=O)Cn1ncn(C)c1=O ZINC001445761435 929257845 /nfs/dbraw/zinc/25/78/45/929257845.db2.gz JLLAHSBBMIPEEA-NSHDSACASA-N 1 1 324.385 -1.749 20 0 DAADMO COc1nc(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC(N)=O)co1 ZINC001445769111 929258371 /nfs/dbraw/zinc/25/83/71/929258371.db2.gz IUOISXDTSURWEE-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO COc1nc(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC(N)=O)co1 ZINC001445769111 929258384 /nfs/dbraw/zinc/25/83/84/929258384.db2.gz IUOISXDTSURWEE-SSDOTTSWSA-N 1 1 313.314 -1.072 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001445771931 929258540 /nfs/dbraw/zinc/25/85/40/929258540.db2.gz WRKISUIALHOEHM-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001445771931 929258547 /nfs/dbraw/zinc/25/85/47/929258547.db2.gz WRKISUIALHOEHM-NXEZZACHSA-N 1 1 324.385 -1.271 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1ncnn1 ZINC001445787015 929258567 /nfs/dbraw/zinc/25/85/67/929258567.db2.gz JEUUJJKCAIQNNQ-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CCCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001445780549 929258738 /nfs/dbraw/zinc/25/87/38/929258738.db2.gz CYMMCMKNIKGLBB-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001445780549 929258742 /nfs/dbraw/zinc/25/87/42/929258742.db2.gz CYMMCMKNIKGLBB-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO C[C@H](C[N@H+](C)CC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001445820627 929259481 /nfs/dbraw/zinc/25/94/81/929259481.db2.gz SSGKVXWCTGQTQI-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001445820627 929259493 /nfs/dbraw/zinc/25/94/93/929259493.db2.gz SSGKVXWCTGQTQI-MRVPVSSYSA-N 1 1 309.392 -2.696 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001445823446 929260960 /nfs/dbraw/zinc/26/09/60/929260960.db2.gz VQVYHZFROJVVRC-NXEZZACHSA-N 1 1 310.420 -1.800 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001445823279 929261041 /nfs/dbraw/zinc/26/10/41/929261041.db2.gz SGQRUSJFZRTGAK-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001445823279 929261046 /nfs/dbraw/zinc/26/10/46/929261046.db2.gz SGQRUSJFZRTGAK-BDAKNGLRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870208 929263131 /nfs/dbraw/zinc/26/31/31/929263131.db2.gz MZVICQCOGQCYES-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001445870208 929263143 /nfs/dbraw/zinc/26/31/43/929263143.db2.gz MZVICQCOGQCYES-RKDXNWHRSA-N 1 1 308.404 -1.893 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001445963823 929265642 /nfs/dbraw/zinc/26/56/42/929265642.db2.gz XAZNFMOOCJQRJR-MNOVXSKESA-N 1 1 321.385 -1.177 20 0 DAADMO O=C(C[NH2+]C[C@H](NC(=O)c1cnn[nH]1)C1CC1)N1CCOCC1 ZINC001445960732 929266244 /nfs/dbraw/zinc/26/62/44/929266244.db2.gz QTJQKWMAOKYHDB-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001446016903 929267401 /nfs/dbraw/zinc/26/74/01/929267401.db2.gz OHRJICWYQBQNQX-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001446016903 929267406 /nfs/dbraw/zinc/26/74/06/929267406.db2.gz OHRJICWYQBQNQX-LBPRGKRZSA-N 1 1 311.386 -1.320 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001446028674 929267989 /nfs/dbraw/zinc/26/79/89/929267989.db2.gz MBQUHUNLIOXVIV-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001446025379 929268248 /nfs/dbraw/zinc/26/82/48/929268248.db2.gz VYCQDYKFBUHFQY-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001446053077 929269321 /nfs/dbraw/zinc/26/93/21/929269321.db2.gz XFSINWHDURJKHL-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001446053077 929269330 /nfs/dbraw/zinc/26/93/30/929269330.db2.gz XFSINWHDURJKHL-GFCCVEGCSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001446053080 929270949 /nfs/dbraw/zinc/27/09/49/929270949.db2.gz XFSINWHDURJKHL-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H]2CNC(=O)Cn2ncnn2)cn1 ZINC001446053080 929270961 /nfs/dbraw/zinc/27/09/61/929270961.db2.gz XFSINWHDURJKHL-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001446057882 929272632 /nfs/dbraw/zinc/27/26/32/929272632.db2.gz ZDELITKDRZENNY-LBPRGKRZSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001446118549 929274130 /nfs/dbraw/zinc/27/41/30/929274130.db2.gz CIZSWZAUOWCRCP-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CC[N@H+]1CCCF ZINC001446106996 929274632 /nfs/dbraw/zinc/27/46/32/929274632.db2.gz RLJIDFFDTJCJQX-JTQLQIEISA-N 1 1 310.395 -1.068 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001446359311 929286885 /nfs/dbraw/zinc/28/68/85/929286885.db2.gz BVKREKDKLIIBEJ-ZJUUUORDSA-N 1 1 307.416 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)N1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001446391607 929289979 /nfs/dbraw/zinc/28/99/79/929289979.db2.gz OFYLCEPGSURZSG-GFCCVEGCSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N(C)C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001446416015 929290183 /nfs/dbraw/zinc/29/01/83/929290183.db2.gz QKPCJJKJTJJCRU-SNVBAGLBSA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001446436110 929291339 /nfs/dbraw/zinc/29/13/39/929291339.db2.gz QTHBQHUDXHBZMA-NSHDSACASA-N 1 1 309.374 -1.175 20 0 DAADMO Cn1nncc1C[NH+]1CCC(C)(NC(=O)Cn2cnnn2)CC1 ZINC001446463407 929293461 /nfs/dbraw/zinc/29/34/61/929293461.db2.gz VZVHYVXZJPUKEI-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001446505052 929295360 /nfs/dbraw/zinc/29/53/60/929295360.db2.gz UXBNOLWJMRDDNY-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001446524217 929295416 /nfs/dbraw/zinc/29/54/16/929295416.db2.gz GNTATIUXAQQEFK-QMTHXVAHSA-N 1 1 324.385 -1.574 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)C1 ZINC001446535136 929296226 /nfs/dbraw/zinc/29/62/26/929296226.db2.gz NWDDABSZZADJAF-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC001446519939 929296305 /nfs/dbraw/zinc/29/63/05/929296305.db2.gz LDVZBSMHMUSTNV-QJPTWQEYSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@]1(NC(=O)Cn2ncnn2)CC[N@@H+](CCNC(=O)C2CC2)C1 ZINC001446529910 929296785 /nfs/dbraw/zinc/29/67/85/929296785.db2.gz GMQIUOABJFVLJW-AWEZNQCLSA-N 1 1 321.385 -1.220 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001446526612 929296822 /nfs/dbraw/zinc/29/68/22/929296822.db2.gz OYWKOOKVIPDRJM-CQSZACIVSA-N 1 1 314.386 -1.534 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)CCNC(N)=O)C2)C1=O ZINC001446570187 929298089 /nfs/dbraw/zinc/29/80/89/929298089.db2.gz ZDHQRSJTHCZPNR-IINYFYTJSA-N 1 1 311.386 -1.144 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560432 929298274 /nfs/dbraw/zinc/29/82/74/929298274.db2.gz KSXSVQVFLYGIRM-XPTSAGLGSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560432 929298277 /nfs/dbraw/zinc/29/82/77/929298277.db2.gz KSXSVQVFLYGIRM-XPTSAGLGSA-N 1 1 324.385 -1.655 20 0 DAADMO CNC(=O)NCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001446543181 929298510 /nfs/dbraw/zinc/29/85/10/929298510.db2.gz VSFXZVSJJUONKK-HZMBPMFUSA-N 1 1 313.402 -1.027 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560423 929298658 /nfs/dbraw/zinc/29/86/58/929298658.db2.gz KSXSVQVFLYGIRM-OTYXRUKQSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001446560423 929298670 /nfs/dbraw/zinc/29/86/70/929298670.db2.gz KSXSVQVFLYGIRM-OTYXRUKQSA-N 1 1 324.385 -1.655 20 0 DAADMO COCC[N@H+]1CC[C@@](C)(NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001446543722 929298933 /nfs/dbraw/zinc/29/89/33/929298933.db2.gz WKISFEMHVVWELY-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCNC2=O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446544268 929299643 /nfs/dbraw/zinc/29/96/43/929299643.db2.gz YDZUITKEKSRRNO-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@@]1(NC(=O)CN2CCCNC2=O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446544268 929299656 /nfs/dbraw/zinc/29/96/56/929299656.db2.gz YDZUITKEKSRRNO-XHDPSFHLSA-N 1 1 323.397 -1.129 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001446584341 929300551 /nfs/dbraw/zinc/30/05/51/929300551.db2.gz SLKUKILTPYLEFA-BXUZGUMPSA-N 1 1 324.385 -1.046 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+]([C@H]2CCCNC2=O)C1)c1cnccn1 ZINC001446738649 929304656 /nfs/dbraw/zinc/30/46/56/929304656.db2.gz HUTFYPSXLUVHBY-SWLSCSKDSA-N 1 1 319.365 -1.078 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC)C1 ZINC001446739251 929304719 /nfs/dbraw/zinc/30/47/19/929304719.db2.gz DDIQMHXCAYFJCH-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO CCC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC)C1 ZINC001446739251 929304729 /nfs/dbraw/zinc/30/47/29/929304729.db2.gz DDIQMHXCAYFJCH-ZDUSSCGKSA-N 1 1 300.359 -2.188 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446734502 929305049 /nfs/dbraw/zinc/30/50/49/929305049.db2.gz CBGVXJZIPFLLJK-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001446734502 929305060 /nfs/dbraw/zinc/30/50/60/929305060.db2.gz CBGVXJZIPFLLJK-ZANVPECISA-N 1 1 315.374 -2.268 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C)cn2)C1 ZINC001446731515 929305438 /nfs/dbraw/zinc/30/54/38/929305438.db2.gz AZJVDWXPSIWSEI-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)F)C1 ZINC001446717794 929305475 /nfs/dbraw/zinc/30/54/75/929305475.db2.gz AZOLEMGBHYAKHJ-ZDUSSCGKSA-N 1 1 318.349 -1.257 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)F)C1 ZINC001446717794 929305489 /nfs/dbraw/zinc/30/54/89/929305489.db2.gz AZOLEMGBHYAKHJ-ZDUSSCGKSA-N 1 1 318.349 -1.257 20 0 DAADMO COCC(=O)NC[C@]1(O)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001446723979 929305774 /nfs/dbraw/zinc/30/57/74/929305774.db2.gz IIQBZSADTMOEAJ-CYBMUJFWSA-N 1 1 300.359 -1.789 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001446731322 929305914 /nfs/dbraw/zinc/30/59/14/929305914.db2.gz AHDLTXLFZTXIJO-OCCSQVGLSA-N 1 1 324.385 -1.347 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001446734956 929305936 /nfs/dbraw/zinc/30/59/36/929305936.db2.gz GZXFMWQIYOHJPC-PRHODGIISA-N 1 1 313.383 -1.031 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)c2cnns2)C1 ZINC001446734956 929305939 /nfs/dbraw/zinc/30/59/39/929305939.db2.gz GZXFMWQIYOHJPC-PRHODGIISA-N 1 1 313.383 -1.031 20 0 DAADMO O=C(NC[C@]1(O)CC[N@@H+](CCn2cncn2)C1)C1=COCCO1 ZINC001446732420 929306461 /nfs/dbraw/zinc/30/64/61/929306461.db2.gz DAIQSBXCQHCFSR-CQSZACIVSA-N 1 1 323.353 -1.281 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001446717713 929306777 /nfs/dbraw/zinc/30/67/77/929306777.db2.gz ABPLLXCRUBJEBJ-YMTOWFKASA-N 1 1 312.370 -1.077 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C2CCC2)C1 ZINC001446717713 929306787 /nfs/dbraw/zinc/30/67/87/929306787.db2.gz ABPLLXCRUBJEBJ-YMTOWFKASA-N 1 1 312.370 -1.077 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cncnc3)C2)C1=O ZINC001446733720 929307147 /nfs/dbraw/zinc/30/71/47/929307147.db2.gz ALZSGTPILVKHLH-WFASDCNBSA-N 1 1 319.365 -1.126 20 0 DAADMO COCC[N@H+]1CC[C@](O)(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001446750995 929307462 /nfs/dbraw/zinc/30/74/62/929307462.db2.gz KNUNNGSFETWWFQ-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)ccc1=O ZINC001446752570 929308124 /nfs/dbraw/zinc/30/81/24/929308124.db2.gz BIGMMNDWWXFFOX-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO Cn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)ccc1=O ZINC001446752570 929308137 /nfs/dbraw/zinc/30/81/37/929308137.db2.gz BIGMMNDWWXFFOX-AWEZNQCLSA-N 1 1 308.338 -1.963 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc(C)cn2)C1 ZINC001446747779 929308531 /nfs/dbraw/zinc/30/85/31/929308531.db2.gz LLHZNDHICJODSY-WFASDCNBSA-N 1 1 323.397 -1.121 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751108 929308649 /nfs/dbraw/zinc/30/86/49/929308649.db2.gz BYHBFYNPBCDWSH-ABAIWWIYSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751108 929308655 /nfs/dbraw/zinc/30/86/55/929308655.db2.gz BYHBFYNPBCDWSH-ABAIWWIYSA-N 1 1 321.381 -1.164 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cncnc2C)C1 ZINC001446742535 929309233 /nfs/dbraw/zinc/30/92/33/929309233.db2.gz YRQFJHOGTXMESQ-SWLSCSKDSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](CCOC(C)C)C1 ZINC001446750884 929310355 /nfs/dbraw/zinc/31/03/55/929310355.db2.gz KHZRUNNKBARMIO-AWEZNQCLSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746738 929310512 /nfs/dbraw/zinc/31/05/12/929310512.db2.gz SVFHJNXNEPXQKZ-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cnccn2)C1 ZINC001446746738 929310523 /nfs/dbraw/zinc/31/05/23/929310523.db2.gz SVFHJNXNEPXQKZ-HZMBPMFUSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751121 929310763 /nfs/dbraw/zinc/31/07/63/929310763.db2.gz BYHBFYNPBCDWSH-IAQYHMDHSA-N 1 1 321.381 -1.164 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncnc2)C1 ZINC001446751121 929310775 /nfs/dbraw/zinc/31/07/75/929310775.db2.gz BYHBFYNPBCDWSH-IAQYHMDHSA-N 1 1 321.381 -1.164 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446761288 929311946 /nfs/dbraw/zinc/31/19/46/929311946.db2.gz HFIAVQFZEILXJY-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001446761288 929311959 /nfs/dbraw/zinc/31/19/59/929311959.db2.gz HFIAVQFZEILXJY-AWEZNQCLSA-N 1 1 324.385 -1.540 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1=O ZINC001446761371 929312186 /nfs/dbraw/zinc/31/21/86/929312186.db2.gz PQPBWZZJTPHBBW-DOMZBBRYSA-N 1 1 313.398 -1.210 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001446759674 929312467 /nfs/dbraw/zinc/31/24/67/929312467.db2.gz GDPGTWMJAUGSAF-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO Cn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001446759674 929312475 /nfs/dbraw/zinc/31/24/75/929312475.db2.gz GDPGTWMJAUGSAF-CQSZACIVSA-N 1 1 322.369 -1.740 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1=O ZINC001446758894 929313475 /nfs/dbraw/zinc/31/34/75/929313475.db2.gz LFHDFJLLAQVUNQ-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1=O ZINC001446758894 929313483 /nfs/dbraw/zinc/31/34/83/929313483.db2.gz LFHDFJLLAQVUNQ-IINYFYTJSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001446762646 929314862 /nfs/dbraw/zinc/31/48/62/929314862.db2.gz SMMAHOHPOMOARA-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CN2CCCCC2=O)C1 ZINC001446762646 929314879 /nfs/dbraw/zinc/31/48/79/929314879.db2.gz SMMAHOHPOMOARA-AWEZNQCLSA-N 1 1 312.370 -1.963 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nccn2C)C1 ZINC001446761432 929315286 /nfs/dbraw/zinc/31/52/86/929315286.db2.gz TYDCDVIWEPSZDO-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nccn2C)C1 ZINC001446761432 929315297 /nfs/dbraw/zinc/31/52/97/929315297.db2.gz TYDCDVIWEPSZDO-OAHLLOKOSA-N 1 1 323.397 -1.348 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001446761410 929316078 /nfs/dbraw/zinc/31/60/78/929316078.db2.gz HUJAZERNELFJAT-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO CCn1nncc1C(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001446761410 929316089 /nfs/dbraw/zinc/31/60/89/929316089.db2.gz HUJAZERNELFJAT-RNCFNFMXSA-N 1 1 310.358 -1.662 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001446764971 929316277 /nfs/dbraw/zinc/31/62/77/929316277.db2.gz UNJXPWOJMXRHJP-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001446764971 929316282 /nfs/dbraw/zinc/31/62/82/929316282.db2.gz UNJXPWOJMXRHJP-XHDPSFHLSA-N 1 1 321.381 -1.516 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cc2n(n1)CCO2 ZINC001446765385 929316342 /nfs/dbraw/zinc/31/63/42/929316342.db2.gz VKMPGIYIGUOBBN-CQSZACIVSA-N 1 1 310.354 -1.176 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446766113 929316494 /nfs/dbraw/zinc/31/64/94/929316494.db2.gz LLGSBGHCAGTKNT-YGRLFVJLSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2COC(=O)C2)C1 ZINC001446766113 929316499 /nfs/dbraw/zinc/31/64/99/929316499.db2.gz LLGSBGHCAGTKNT-YGRLFVJLSA-N 1 1 313.354 -1.761 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446764122 929317321 /nfs/dbraw/zinc/31/73/21/929317321.db2.gz JVQHIWGCZFUZEU-TVQRCGJNSA-N 1 1 308.342 -2.130 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446764122 929317330 /nfs/dbraw/zinc/31/73/30/929317330.db2.gz JVQHIWGCZFUZEU-TVQRCGJNSA-N 1 1 308.342 -2.130 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccncn3)C2)C1=O ZINC001446779387 929319305 /nfs/dbraw/zinc/31/93/05/929319305.db2.gz GRXDRSTYSPBNFR-SWLSCSKDSA-N 1 1 319.365 -1.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001446779314 929319541 /nfs/dbraw/zinc/31/95/41/929319541.db2.gz UUOPWVVZOSRIRA-CQSZACIVSA-N 1 1 310.354 -1.094 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cnoc2)C1 ZINC001446779314 929319552 /nfs/dbraw/zinc/31/95/52/929319552.db2.gz UUOPWVVZOSRIRA-CQSZACIVSA-N 1 1 310.354 -1.094 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)c3ccncn3)C2)C1=O ZINC001446779386 929319705 /nfs/dbraw/zinc/31/97/05/929319705.db2.gz GRXDRSTYSPBNFR-IUODEOHRSA-N 1 1 319.365 -1.126 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001446777641 929319882 /nfs/dbraw/zinc/31/98/82/929319882.db2.gz ACLTWACALBJNFU-CQSZACIVSA-N 1 1 314.386 -1.800 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)NC(C)=O)C1 ZINC001446777641 929319892 /nfs/dbraw/zinc/31/98/92/929319892.db2.gz ACLTWACALBJNFU-CQSZACIVSA-N 1 1 314.386 -1.800 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446783551 929320093 /nfs/dbraw/zinc/32/00/93/929320093.db2.gz PAJIZFJSMGXSAD-YGRLFVJLSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001446783551 929320102 /nfs/dbraw/zinc/32/01/02/929320102.db2.gz PAJIZFJSMGXSAD-YGRLFVJLSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cccnc2)C1 ZINC001446776579 929320177 /nfs/dbraw/zinc/32/01/77/929320177.db2.gz WMKRSJYLDOBPIK-HNNXBMFYSA-N 1 1 306.366 -1.077 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2cccnc2)C1 ZINC001446776579 929320184 /nfs/dbraw/zinc/32/01/84/929320184.db2.gz WMKRSJYLDOBPIK-HNNXBMFYSA-N 1 1 306.366 -1.077 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001446776938 929320363 /nfs/dbraw/zinc/32/03/63/929320363.db2.gz VRIMOZBGQUUVIF-ZANVPECISA-N 1 1 318.349 -1.128 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CCCF)C1 ZINC001446776938 929320371 /nfs/dbraw/zinc/32/03/71/929320371.db2.gz VRIMOZBGQUUVIF-ZANVPECISA-N 1 1 318.349 -1.128 20 0 DAADMO CO[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)c1cnn(C)c1 ZINC001446779769 929320386 /nfs/dbraw/zinc/32/03/86/929320386.db2.gz VEGNHFNRUWHSDT-OCCSQVGLSA-N 1 1 312.370 -1.347 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@]2(O)CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446783539 929320408 /nfs/dbraw/zinc/32/04/08/929320408.db2.gz PAJIZFJSMGXSAD-IINYFYTJSA-N 1 1 307.354 -1.227 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@]2(O)CC[N@H+]([C@H]3CCNC3=O)C2)n1 ZINC001446783539 929320419 /nfs/dbraw/zinc/32/04/19/929320419.db2.gz PAJIZFJSMGXSAD-IINYFYTJSA-N 1 1 307.354 -1.227 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001446774591 929320496 /nfs/dbraw/zinc/32/04/96/929320496.db2.gz LGBCJWOBEQSRRD-OLZOCXBDSA-N 1 1 303.334 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCOC2)C1 ZINC001446774591 929320507 /nfs/dbraw/zinc/32/05/07/929320507.db2.gz LGBCJWOBEQSRRD-OLZOCXBDSA-N 1 1 303.334 -1.586 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC001446774131 929320907 /nfs/dbraw/zinc/32/09/07/929320907.db2.gz WMJYKSGDNOJAPG-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1cnc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC001446774131 929320924 /nfs/dbraw/zinc/32/09/24/929320924.db2.gz WMJYKSGDNOJAPG-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001446776936 929321014 /nfs/dbraw/zinc/32/10/14/929321014.db2.gz VRIMOZBGQUUVIF-TVQRCGJNSA-N 1 1 318.349 -1.128 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CCCF)C1 ZINC001446776936 929321026 /nfs/dbraw/zinc/32/10/26/929321026.db2.gz VRIMOZBGQUUVIF-TVQRCGJNSA-N 1 1 318.349 -1.128 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccnn3C)C2)n1 ZINC001446783276 929321124 /nfs/dbraw/zinc/32/11/24/929321124.db2.gz NUFSLPLHQOEOMC-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO Cn1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC001446783276 929321130 /nfs/dbraw/zinc/32/11/30/929321130.db2.gz NUFSLPLHQOEOMC-AWEZNQCLSA-N 1 1 319.369 -1.085 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@](O)(CNC(=O)Cn3ncnn3)C2)C1=O ZINC001446771762 929321358 /nfs/dbraw/zinc/32/13/58/929321358.db2.gz UCDIXCYYYZUNLJ-GXFFZTMASA-N 1 1 323.357 -2.543 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3nnc[nH]3)C2)cn1 ZINC001446783558 929321566 /nfs/dbraw/zinc/32/15/66/929321566.db2.gz PBUFSZVININKEZ-CYBMUJFWSA-N 1 1 305.342 -1.095 20 0 DAADMO O=C(CCn1ccnc1)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446781776 929321656 /nfs/dbraw/zinc/32/16/56/929321656.db2.gz YUXHBCKNHZHYTP-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(CCn1ccnc1)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446781776 929321667 /nfs/dbraw/zinc/32/16/67/929321667.db2.gz YUXHBCKNHZHYTP-SWLSCSKDSA-N 1 1 321.381 -1.285 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001446793088 929322557 /nfs/dbraw/zinc/32/25/57/929322557.db2.gz MLTXCZJHWHRMOW-KOLCDFICSA-N 1 1 309.363 -1.799 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@@H+](CCF)C1)[C@H]1CCS(=O)(=O)N1 ZINC001446793088 929322568 /nfs/dbraw/zinc/32/25/68/929322568.db2.gz MLTXCZJHWHRMOW-KOLCDFICSA-N 1 1 309.363 -1.799 20 0 DAADMO Cn1cnnc1CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446787902 929322657 /nfs/dbraw/zinc/32/26/57/929322657.db2.gz AKWYMGITIYGNIO-SWLSCSKDSA-N 1 1 322.413 -1.180 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)N(C)C)C1 ZINC001446785927 929322778 /nfs/dbraw/zinc/32/27/78/929322778.db2.gz GEZBFGRKRNYPPE-FZMZJTMJSA-N 1 1 317.386 -1.711 20 0 DAADMO COC[C@H](OC)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)N(C)C)C1 ZINC001446785927 929322790 /nfs/dbraw/zinc/32/27/90/929322790.db2.gz GEZBFGRKRNYPPE-FZMZJTMJSA-N 1 1 317.386 -1.711 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001446799859 929323321 /nfs/dbraw/zinc/32/33/21/929323321.db2.gz YFIZYXQSGQWETR-BONVTDFDSA-N 1 1 321.381 -1.447 20 0 DAADMO NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001446799859 929323330 /nfs/dbraw/zinc/32/33/30/929323330.db2.gz YFIZYXQSGQWETR-BONVTDFDSA-N 1 1 321.381 -1.447 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001446789958 929323460 /nfs/dbraw/zinc/32/34/60/929323460.db2.gz FWPOBNSWDVLJOD-WFASDCNBSA-N 1 1 306.366 -1.001 20 0 DAADMO O=C(Cc1ccc[nH]1)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001446789958 929323469 /nfs/dbraw/zinc/32/34/69/929323469.db2.gz FWPOBNSWDVLJOD-WFASDCNBSA-N 1 1 306.366 -1.001 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@](O)(CNC(=O)c3cccnn3)C2)C1=O ZINC001446793908 929323696 /nfs/dbraw/zinc/32/36/96/929323696.db2.gz ACRXVGLFAAOGDP-WFASDCNBSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001446785264 929325232 /nfs/dbraw/zinc/32/52/32/929325232.db2.gz LHTBIOHLXJSVLH-XUJVJEKNSA-N 1 1 321.381 -1.406 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001446785264 929325239 /nfs/dbraw/zinc/32/52/39/929325239.db2.gz LHTBIOHLXJSVLH-XUJVJEKNSA-N 1 1 321.381 -1.406 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001446807520 929326153 /nfs/dbraw/zinc/32/61/53/929326153.db2.gz MKHBGUZZTXZEER-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001446807520 929326167 /nfs/dbraw/zinc/32/61/67/929326167.db2.gz MKHBGUZZTXZEER-QMTHXVAHSA-N 1 1 324.385 -1.401 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001446807494 929327159 /nfs/dbraw/zinc/32/71/59/929327159.db2.gz MIFULYXZMRXPJD-RISCZKNCSA-N 1 1 322.369 -1.647 20 0 DAADMO CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001446807494 929327169 /nfs/dbraw/zinc/32/71/69/929327169.db2.gz MIFULYXZMRXPJD-RISCZKNCSA-N 1 1 322.369 -1.647 20 0 DAADMO O=C(Cn1cncn1)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001446803876 929327808 /nfs/dbraw/zinc/32/78/08/929327808.db2.gz INCNHOBTKOHENC-OCCSQVGLSA-N 1 1 309.370 -1.132 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001446801438 929327893 /nfs/dbraw/zinc/32/78/93/929327893.db2.gz RPXAVEJGLFRXGL-XHDPSFHLSA-N 1 1 323.397 -1.052 20 0 DAADMO Cn1cc(CCC(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)nn1 ZINC001446820911 929328894 /nfs/dbraw/zinc/32/88/94/929328894.db2.gz WGMYCRXKVQYSQS-CQSZACIVSA-N 1 1 311.386 -1.317 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001446820108 929329680 /nfs/dbraw/zinc/32/96/80/929329680.db2.gz SYZMBLXZJMYDIS-IAQYHMDHSA-N 1 1 311.382 -1.159 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC23CCOCC3)C1 ZINC001446820108 929329693 /nfs/dbraw/zinc/32/96/93/929329693.db2.gz SYZMBLXZJMYDIS-IAQYHMDHSA-N 1 1 311.382 -1.159 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001446831916 929332569 /nfs/dbraw/zinc/33/25/69/929332569.db2.gz BAKANWHEFRQJGY-QWRGUYRKSA-N 1 1 314.386 -1.367 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NCC1(O)C[NH+](C[C@H]2CCCOC2)C1 ZINC001446831917 929333184 /nfs/dbraw/zinc/33/31/84/929333184.db2.gz BAKANWHEFRQJGY-WDEREUQCSA-N 1 1 314.386 -1.367 20 0 DAADMO CC[C@@H](C(N)=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446850227 929336878 /nfs/dbraw/zinc/33/68/78/929336878.db2.gz QCSZROWBFFJVCB-NWDGAFQWSA-N 1 1 312.414 -1.103 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(Cc2cnnn2C)C1 ZINC001446854198 929338596 /nfs/dbraw/zinc/33/85/96/929338596.db2.gz LSIXUAIUAAZJTQ-UHFFFAOYSA-N 1 1 319.369 -1.317 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1(O)CN(CC(=O)N2CCC2)C1 ZINC001446854602 929339423 /nfs/dbraw/zinc/33/94/23/929339423.db2.gz OJNCKCPSALIELW-UHFFFAOYSA-N 1 1 321.381 -1.413 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@H]2CCOC2)C1)c1cnc[nH]c1=O ZINC001446857630 929341294 /nfs/dbraw/zinc/34/12/94/929341294.db2.gz URXATTRYRKAUPU-SNVBAGLBSA-N 1 1 308.338 -1.005 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001446857745 929341375 /nfs/dbraw/zinc/34/13/75/929341375.db2.gz QGPHKHYMXZPGGF-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@H](C[NH+]1CC(O)(CNC(=O)c2c[nH]c(=O)cn2)C1)OC ZINC001446863990 929342279 /nfs/dbraw/zinc/34/22/79/929342279.db2.gz DQKGONJRZMCXJL-SNVBAGLBSA-N 1 1 310.354 -1.029 20 0 DAADMO O=C(NCC1(O)C[NH+](C[C@@H]2CCNC(=O)CC2)C1)c1cnon1 ZINC001446881633 929343844 /nfs/dbraw/zinc/34/38/44/929343844.db2.gz IVOCNJFTJBGZLH-JTQLQIEISA-N 1 1 323.353 -1.238 20 0 DAADMO Cn1cnnc1CN1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001446897993 929347842 /nfs/dbraw/zinc/34/78/42/929347842.db2.gz VLVXYSVZYADHHF-UHFFFAOYSA-N 1 1 305.342 -1.556 20 0 DAADMO Cn1ncc(CN2CC(O)(CNC(=O)Cc3cnc[nH]3)C2)n1 ZINC001446895859 929347939 /nfs/dbraw/zinc/34/79/39/929347939.db2.gz RLKIRDDORXTLTH-UHFFFAOYSA-N 1 1 305.342 -1.556 20 0 DAADMO O=C(CCn1cnnn1)NCC1(O)C[NH+](C[C@@H]2CCCOC2)C1 ZINC001446893121 929348869 /nfs/dbraw/zinc/34/88/69/929348869.db2.gz XYNRAQJDHUNPSP-LBPRGKRZSA-N 1 1 324.385 -1.347 20 0 DAADMO CCN(C)C(=O)CN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446912371 929350240 /nfs/dbraw/zinc/35/02/40/929350240.db2.gz MUWNPTGFUVQYIT-GFCCVEGCSA-N 1 1 312.414 -1.421 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN([C@@H]2CCN(C)C2=O)C1 ZINC001446904957 929350498 /nfs/dbraw/zinc/35/04/98/929350498.db2.gz KDHUIMWEDSRIGK-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCC[C@H](N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001446908390 929351058 /nfs/dbraw/zinc/35/10/58/929351058.db2.gz AFPXNULPDHHWBY-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(CC(=O)N3CCC3)C2)C1 ZINC001446912490 929351565 /nfs/dbraw/zinc/35/15/65/929351565.db2.gz ODQLIUQZVULNPV-GFCCVEGCSA-N 1 1 310.398 -1.667 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001446925197 929352695 /nfs/dbraw/zinc/35/26/95/929352695.db2.gz OPHPJSJVVNIBRQ-SRVKXCTJSA-N 1 1 319.427 -1.113 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001446975827 929355864 /nfs/dbraw/zinc/35/58/64/929355864.db2.gz SQVLGUCEZQMXIQ-WHOHXGKFSA-N 1 1 313.354 -1.508 20 0 DAADMO C[N@@H+](CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C1CCC1 ZINC001446982797 929356518 /nfs/dbraw/zinc/35/65/18/929356518.db2.gz AVIDLYOBWZQBFO-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001446975824 929357392 /nfs/dbraw/zinc/35/73/92/929357392.db2.gz SQVLGUCEZQMXIQ-USZNOCQGSA-N 1 1 313.354 -1.508 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001447005741 929359851 /nfs/dbraw/zinc/35/98/51/929359851.db2.gz VMBFQFWCAIEZON-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001447012088 929361706 /nfs/dbraw/zinc/36/17/06/929361706.db2.gz OBFPWJIRDYUSTA-RISCZKNCSA-N 1 1 314.386 -1.401 20 0 DAADMO COCC[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001447020140 929362077 /nfs/dbraw/zinc/36/20/77/929362077.db2.gz MXGJXHWUNGBJEB-AWEZNQCLSA-N 1 1 310.354 -1.027 20 0 DAADMO COC(=O)NCC(=O)N[C@@]1(CO)CCC[N@@H+](C[C@H](C)O)C1 ZINC001447014669 929362446 /nfs/dbraw/zinc/36/24/46/929362446.db2.gz XBGIPOYIAKCGSA-GWCFXTLKSA-N 1 1 303.359 -1.334 20 0 DAADMO NC(=O)c1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)co1 ZINC001447015752 929362475 /nfs/dbraw/zinc/36/24/75/929362475.db2.gz YZGWALYSUYWOOL-AWEZNQCLSA-N 1 1 311.338 -1.073 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCNC(N)=O ZINC001447046800 929365648 /nfs/dbraw/zinc/36/56/48/929365648.db2.gz UZVZFSDHALMHFJ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCNC(N)=O ZINC001447046804 929365837 /nfs/dbraw/zinc/36/58/37/929365837.db2.gz UZVZFSDHALMHFJ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(CCO)CC[NH2+][C@H](C)c1nnnn1C ZINC001447063082 929368842 /nfs/dbraw/zinc/36/88/42/929368842.db2.gz XWAUUJQDBRBMGF-GHMZBOCLSA-N 1 1 314.390 -1.302 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@@H+]1C[C@H]1CCCOC1 ZINC001447098835 929370581 /nfs/dbraw/zinc/37/05/81/929370581.db2.gz BURHWUPMUAIOLS-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO O=C(Cn1cnnn1)NC[C@H]1COCC[N@H+]1C[C@H]1CCCOC1 ZINC001447098835 929370591 /nfs/dbraw/zinc/37/05/91/929370591.db2.gz BURHWUPMUAIOLS-OLZOCXBDSA-N 1 1 324.385 -1.083 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H]1CCOC1 ZINC001447162077 929373138 /nfs/dbraw/zinc/37/31/38/929373138.db2.gz IXWRPJFUNYZESV-NEPJUHHUSA-N 1 1 314.386 -1.102 20 0 DAADMO NC(=O)NCCC(=O)NC[C@H]1COCC[N@H+]1C[C@H]1CCOC1 ZINC001447162077 929373147 /nfs/dbraw/zinc/37/31/47/929373147.db2.gz IXWRPJFUNYZESV-NEPJUHHUSA-N 1 1 314.386 -1.102 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)CC1=O ZINC001447146031 929373708 /nfs/dbraw/zinc/37/37/08/929373708.db2.gz VQSHKQJSTGWMOD-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2COCC[N@H+]2CC2CC2)CC1=O ZINC001447146031 929373726 /nfs/dbraw/zinc/37/37/26/929373726.db2.gz VQSHKQJSTGWMOD-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001447294480 929380585 /nfs/dbraw/zinc/38/05/85/929380585.db2.gz AHQNYOZIQPDPEH-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001447294476 929381990 /nfs/dbraw/zinc/38/19/90/929381990.db2.gz AHQNYOZIQPDPEH-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001447314813 929383878 /nfs/dbraw/zinc/38/38/78/929383878.db2.gz ZXTWNLJDSNIHSB-LLVKDONJSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001447296914 929385515 /nfs/dbraw/zinc/38/55/15/929385515.db2.gz CDOJTDOVLCNWSM-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001447327863 929385801 /nfs/dbraw/zinc/38/58/01/929385801.db2.gz XTTISPCLUPHMBD-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001447373344 929387226 /nfs/dbraw/zinc/38/72/26/929387226.db2.gz DTONSEZEWYZJFJ-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001447460141 929392460 /nfs/dbraw/zinc/39/24/60/929392460.db2.gz VZTDUCZLBOLGLO-AWEZNQCLSA-N 1 1 309.370 -1.359 20 0 DAADMO CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001447460142 929393043 /nfs/dbraw/zinc/39/30/43/929393043.db2.gz VZTDUCZLBOLGLO-CQSZACIVSA-N 1 1 309.370 -1.359 20 0 DAADMO NC(=O)C[NH2+]CC1(NC(=O)CCc2nc[nH]n2)CCOCC1 ZINC001447466835 929394838 /nfs/dbraw/zinc/39/48/38/929394838.db2.gz WKPXMBVKABCMIU-UHFFFAOYSA-N 1 1 310.358 -1.522 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)[NH2+]Cc1nnn(C)n1 ZINC001447658387 929406120 /nfs/dbraw/zinc/40/61/20/929406120.db2.gz LYRQOZNECBGJJJ-DTWKUNHWSA-N 1 1 310.362 -1.782 20 0 DAADMO C[C@H](C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1)S(C)(=O)=O ZINC001447718783 929407186 /nfs/dbraw/zinc/40/71/86/929407186.db2.gz AGTYDPXGSITCTK-WDEREUQCSA-N 1 1 322.427 -1.257 20 0 DAADMO CNC(=O)NCC(=O)NC1(CO)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001447722612 929409768 /nfs/dbraw/zinc/40/97/68/929409768.db2.gz OKUUZNFGNVTHJK-VIFPVBQESA-N 1 1 315.374 -2.268 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@H]2CCNC2=O)CC1)c1cnon1 ZINC001447741533 929410039 /nfs/dbraw/zinc/41/00/39/929410039.db2.gz WAOKUBDVAYJHEV-JTQLQIEISA-N 1 1 309.326 -1.485 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(CO)(NC(=O)[C@]2(F)CCOC2)CC1 ZINC001447726802 929410394 /nfs/dbraw/zinc/41/03/94/929410394.db2.gz HRISAOVAUCSAII-YGRLFVJLSA-N 1 1 317.361 -1.068 20 0 DAADMO O=C(NC1(CO)CC[NH+]([C@@H]2CCNC2=O)CC1)c1cnon1 ZINC001447741548 929410833 /nfs/dbraw/zinc/41/08/33/929410833.db2.gz WAOKUBDVAYJHEV-SNVBAGLBSA-N 1 1 309.326 -1.485 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCO)c1=O ZINC001447762908 929411676 /nfs/dbraw/zinc/41/16/76/929411676.db2.gz NRDBEKJQMZFRGO-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](C)O ZINC001447766061 929411772 /nfs/dbraw/zinc/41/17/72/929411772.db2.gz FHXUNGPUJFLXDQ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC001447766054 929412464 /nfs/dbraw/zinc/41/24/64/929412464.db2.gz FHXUNGPUJFLXDQ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCCC(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC001447791511 929413866 /nfs/dbraw/zinc/41/38/66/929413866.db2.gz GBQRKIYSOCGOEC-UHFFFAOYSA-N 1 1 324.389 -1.486 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857534 929415186 /nfs/dbraw/zinc/41/51/86/929415186.db2.gz VRPSTSNTJULQQO-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)Cn1ccnc1 ZINC001447857534 929415189 /nfs/dbraw/zinc/41/51/89/929415189.db2.gz VRPSTSNTJULQQO-NEPJUHHUSA-N 1 1 309.370 -1.165 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nonc1C ZINC001447940397 929418690 /nfs/dbraw/zinc/41/86/90/929418690.db2.gz RELKKEZXGSHLGQ-JGVFFNPUSA-N 1 1 319.387 -1.090 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@H+](C)CCNS(C)(=O)=O ZINC001448012130 929423055 /nfs/dbraw/zinc/42/30/55/929423055.db2.gz FDAWQNARMBCCHD-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO C[C@@H](CNC(=O)c1ncn(C)n1)[N@@H+](C)CCNS(C)(=O)=O ZINC001448012130 929423063 /nfs/dbraw/zinc/42/30/63/929423063.db2.gz FDAWQNARMBCCHD-VIFPVBQESA-N 1 1 318.403 -1.586 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)NC ZINC001448030000 929425038 /nfs/dbraw/zinc/42/50/38/929425038.db2.gz BAJZATGAGUHSCN-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC ZINC001448030000 929425046 /nfs/dbraw/zinc/42/50/46/929425046.db2.gz BAJZATGAGUHSCN-NXEZZACHSA-N 1 1 322.431 -1.503 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001448033576 929425071 /nfs/dbraw/zinc/42/50/71/929425071.db2.gz GQOGEVJMTYBRME-NXEZZACHSA-N 1 1 301.391 -1.171 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001448033576 929425077 /nfs/dbraw/zinc/42/50/77/929425077.db2.gz GQOGEVJMTYBRME-NXEZZACHSA-N 1 1 301.391 -1.171 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)CC(=O)N(C)C ZINC001448042555 929426050 /nfs/dbraw/zinc/42/60/50/929426050.db2.gz OEXFXNLZHHULLG-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)CC(=O)N(C)C ZINC001448042555 929426053 /nfs/dbraw/zinc/42/60/53/929426053.db2.gz OEXFXNLZHHULLG-NSHDSACASA-N 1 1 313.402 -1.074 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001448061556 929427744 /nfs/dbraw/zinc/42/77/44/929427744.db2.gz CMLGWDPBBSBSCA-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001448061556 929427749 /nfs/dbraw/zinc/42/77/49/929427749.db2.gz CMLGWDPBBSBSCA-NSHDSACASA-N 1 1 313.402 -2.009 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)CN1CN=NC1=O ZINC001448074394 929427888 /nfs/dbraw/zinc/42/78/88/929427888.db2.gz WRLDPYXWDOPGPN-VIFPVBQESA-N 1 1 321.341 -1.190 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072431 929428155 /nfs/dbraw/zinc/42/81/55/929428155.db2.gz RIKWPJHURCFSRY-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)S(N)(=O)=O ZINC001448072431 929428162 /nfs/dbraw/zinc/42/81/62/929428162.db2.gz RIKWPJHURCFSRY-IUCAKERBSA-N 1 1 308.404 -1.635 20 0 DAADMO COCCn1nc(C(=O)NC[C@H](C)[N@@H+](C)CCO)ccc1=O ZINC001448065838 929428678 /nfs/dbraw/zinc/42/86/78/929428678.db2.gz YLOHQGGQGGOFEJ-NSHDSACASA-N 1 1 312.370 -1.068 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001448062154 929428983 /nfs/dbraw/zinc/42/89/83/929428983.db2.gz HXQINFSNSWAYJN-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001448105619 929430782 /nfs/dbraw/zinc/43/07/82/929430782.db2.gz ACEMECWXAFLTNW-VHSXEESVSA-N 1 1 300.359 -1.254 20 0 DAADMO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CS(C)(=O)=O ZINC001448088873 929430916 /nfs/dbraw/zinc/43/09/16/929430916.db2.gz LNJKPRKICIDZPU-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@H](CNC(=O)Cn1cncn1)[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001448131250 929433572 /nfs/dbraw/zinc/43/35/72/929433572.db2.gz GPERUHXPIRIGIU-BDAKNGLRSA-N 1 1 311.346 -1.702 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001448137979 929433805 /nfs/dbraw/zinc/43/38/05/929433805.db2.gz AMHBIHHIMPMHFQ-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001448137979 929433810 /nfs/dbraw/zinc/43/38/10/929433810.db2.gz AMHBIHHIMPMHFQ-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1(CCO)CN([C@@H]2CCNC2=O)C1 ZINC001448174580 929437635 /nfs/dbraw/zinc/43/76/35/929437635.db2.gz RGGACYQVBIMXAS-CHWSQXEVSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)Cn1ncnn1 ZINC001448214976 929442381 /nfs/dbraw/zinc/44/23/81/929442381.db2.gz FATWPZRYYHPTTO-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)c1nnn(C)n1 ZINC001448217678 929443560 /nfs/dbraw/zinc/44/35/60/929443560.db2.gz LSRSKKDEEUYYOY-ZJUUUORDSA-N 1 1 309.374 -1.214 20 0 DAADMO C[C@H](NC(=O)CN1CCOCC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448299315 929445572 /nfs/dbraw/zinc/44/55/72/929445572.db2.gz RIYORPYHLSNWTB-AAEUAGOBSA-N 1 1 310.398 -1.356 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H](C)C1C[NH+](CCF)C1 ZINC001448323424 929447036 /nfs/dbraw/zinc/44/70/36/929447036.db2.gz ZHNNUHDXGLVQBX-SECBINFHSA-N 1 1 302.350 -1.355 20 0 DAADMO C[C@@H](NC(=O)CN1CCCNC1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448308517 929447848 /nfs/dbraw/zinc/44/78/48/929447848.db2.gz HVNKOUBMWMWZJL-NXEZZACHSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[C@@H]2C1 ZINC001448428289 929451091 /nfs/dbraw/zinc/45/10/91/929451091.db2.gz ZSIQMUCISUIGOA-DBIOUOCHSA-N 1 1 311.386 -1.527 20 0 DAADMO COC(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001448416652 929451367 /nfs/dbraw/zinc/45/13/67/929451367.db2.gz NQCUEHCRQNHMCB-RTCCRHLQSA-N 1 1 312.370 -1.275 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001448437126 929452602 /nfs/dbraw/zinc/45/26/02/929452602.db2.gz LDQWTGSNQIKLOT-SYQHCUMBSA-N 1 1 324.425 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 ZINC001448439918 929452928 /nfs/dbraw/zinc/45/29/28/929452928.db2.gz IMEUHUAWVPRIMU-ZVXAKGHKSA-N 1 1 308.382 -1.305 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCN3CCOCC3)[C@@H]2C1 ZINC001448446552 929453166 /nfs/dbraw/zinc/45/31/66/929453166.db2.gz HYHKEXNMYXTQTJ-SYQHCUMBSA-N 1 1 324.425 -1.124 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001448433055 929453255 /nfs/dbraw/zinc/45/32/55/929453255.db2.gz FGQKLAMXGCIGHR-CNDDSTCGSA-N 1 1 316.427 -1.256 20 0 DAADMO CS(=O)(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001448463823 929454384 /nfs/dbraw/zinc/45/43/84/929454384.db2.gz ZMSZUKNAYJDZAC-RTCCRHLQSA-N 1 1 317.411 -1.410 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNC(N)=O)C[C@H]2C1 ZINC001448467768 929455027 /nfs/dbraw/zinc/45/50/27/929455027.db2.gz GIBCTPVYVHOWML-GARJFASQSA-N 1 1 311.386 -1.253 20 0 DAADMO C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448498871 929456249 /nfs/dbraw/zinc/45/62/49/929456249.db2.gz DQWDDNCCYIPFDD-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@H](CCNC(=O)c1ncn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448498871 929456255 /nfs/dbraw/zinc/45/62/55/929456255.db2.gz DQWDDNCCYIPFDD-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC001448484728 929456645 /nfs/dbraw/zinc/45/66/45/929456645.db2.gz SYZXEKCZBSJLBY-UHFFFAOYSA-N 1 1 319.427 -1.158 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001448514646 929457244 /nfs/dbraw/zinc/45/72/44/929457244.db2.gz KDYWPPNMMNFOHG-LBPRGKRZSA-N 1 1 312.374 -1.397 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448596275 929457888 /nfs/dbraw/zinc/45/78/88/929457888.db2.gz QSRMGZXTLHPACL-NSHDSACASA-N 1 1 319.373 -1.021 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001448536032 929458330 /nfs/dbraw/zinc/45/83/30/929458330.db2.gz PZWGEQCAFOVVQF-NWDGAFQWSA-N 1 1 314.386 -1.402 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H](C[NH2+]Cc1nnnn1C)C1CC1 ZINC001448596270 929459825 /nfs/dbraw/zinc/45/98/25/929459825.db2.gz QSRMGZXTLHPACL-LLVKDONJSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1nnnn1C ZINC001448667811 929463894 /nfs/dbraw/zinc/46/38/94/929463894.db2.gz BWAXUGUSSBMLIH-UWVGGRQHSA-N 1 1 309.374 -1.375 20 0 DAADMO COC[C@H](OC)C(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001448710765 929464748 /nfs/dbraw/zinc/46/47/48/929464748.db2.gz LRYNNGMMUKLTRD-UWVGGRQHSA-N 1 1 300.363 -1.192 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N(C)CCNC(=O)Cn2cnnn2)CC[N@H+]1C ZINC001448702441 929465339 /nfs/dbraw/zinc/46/53/39/929465339.db2.gz UEOIHJGESQOMEF-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO COC[C@@H](OC)C(=O)N(C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001448710767 929465472 /nfs/dbraw/zinc/46/54/72/929465472.db2.gz LRYNNGMMUKLTRD-VHSXEESVSA-N 1 1 300.363 -1.192 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001448740480 929467404 /nfs/dbraw/zinc/46/74/04/929467404.db2.gz UDAAUZCWPALQTN-NXEZZACHSA-N 1 1 324.389 -1.299 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)Cc1cncnc1 ZINC001448763007 929469175 /nfs/dbraw/zinc/46/91/75/929469175.db2.gz APWOEUFRSHAAJE-CYBMUJFWSA-N 1 1 321.381 -1.076 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)Cc1cncnc1 ZINC001448763007 929469181 /nfs/dbraw/zinc/46/91/81/929469181.db2.gz APWOEUFRSHAAJE-CYBMUJFWSA-N 1 1 321.381 -1.076 20 0 DAADMO C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)[NH2+]Cc1cnon1 ZINC001448761169 929469475 /nfs/dbraw/zinc/46/94/75/929469475.db2.gz MFCOYYTZQPHJGR-VIFPVBQESA-N 1 1 324.341 -1.052 20 0 DAADMO COCC(=O)NC[C@H](CO)[NH2+]CC(=O)Nc1cc(C)on1 ZINC001448777305 929472436 /nfs/dbraw/zinc/47/24/36/929472436.db2.gz GDHVFFLCPAIDDD-SECBINFHSA-N 1 1 300.315 -1.365 20 0 DAADMO COc1ncccc1C[NH2+][C@@H](CO)CNC(=O)CNC(C)=O ZINC001448795530 929473928 /nfs/dbraw/zinc/47/39/28/929473928.db2.gz HMZDGJHCONSYKO-GFCCVEGCSA-N 1 1 310.354 -1.207 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CN(C)CCO2)ncn1 ZINC001448822001 929480239 /nfs/dbraw/zinc/48/02/39/929480239.db2.gz ALRCQKMROSRSEL-KGLIPLIRSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1cc(C[NH2+][C@H](CO)CNC(=O)CS(C)(=O)=O)ncn1 ZINC001448821826 929480784 /nfs/dbraw/zinc/48/07/84/929480784.db2.gz IQKDRDSQTSRBLO-NSHDSACASA-N 1 1 316.383 -1.604 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)C1 ZINC001448825438 929482976 /nfs/dbraw/zinc/48/29/76/929482976.db2.gz RWLVIDLHRITWPV-JTQLQIEISA-N 1 1 313.383 -1.417 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448827154 929484049 /nfs/dbraw/zinc/48/40/49/929484049.db2.gz NTGLGJWAZJMUFU-SNVBAGLBSA-N 1 1 307.358 -1.262 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)n[nH]1 ZINC001448827082 929484475 /nfs/dbraw/zinc/48/44/75/929484475.db2.gz FRYHXKRYIRRDPE-NSHDSACASA-N 1 1 321.385 -1.301 20 0 DAADMO CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2n[nH]c(C)n2)C1=O ZINC001448830001 929486266 /nfs/dbraw/zinc/48/62/66/929486266.db2.gz KMTUNCFCGAAGLS-MNOVXSKESA-N 1 1 324.385 -1.657 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnns2)CC1=O ZINC001448833650 929488080 /nfs/dbraw/zinc/48/80/80/929488080.db2.gz BKRUKYZMVQTQKT-BDAKNGLRSA-N 1 1 313.383 -1.417 20 0 DAADMO CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001448833573 929488351 /nfs/dbraw/zinc/48/83/51/929488351.db2.gz CJYXKNHHMBIHAC-QWHCGFSZSA-N 1 1 312.414 -1.469 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001448838317 929489962 /nfs/dbraw/zinc/48/99/62/929489962.db2.gz RGTKDWBKBYHCEL-JTQLQIEISA-N 1 1 312.374 -1.694 20 0 DAADMO CCn1nncc1C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001448839846 929490674 /nfs/dbraw/zinc/49/06/74/929490674.db2.gz SZFIEYYXOKCNRI-SECBINFHSA-N 1 1 308.346 -1.693 20 0 DAADMO O=C(NC[C@@H](CO)[NH2+]Cc1cnns1)[C@@H]1COC(=O)N1 ZINC001448838207 929491326 /nfs/dbraw/zinc/49/13/26/929491326.db2.gz YUOIKIJAXUBAQE-XPUUQOCRSA-N 1 1 301.328 -1.787 20 0 DAADMO COc1cncc(C[NH2+][C@@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001448842578 929492963 /nfs/dbraw/zinc/49/29/63/929492963.db2.gz WUEBODFSUHBQCU-SNVBAGLBSA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1nc(CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)n[nH]1 ZINC001448842582 929493075 /nfs/dbraw/zinc/49/30/75/929493075.db2.gz WUJBRURLDVXTRW-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO CCn1nncc1C[NH2+][C@@H](CO)CNC(=O)c1nnn(C)c1C ZINC001448842776 929493236 /nfs/dbraw/zinc/49/32/36/929493236.db2.gz WDKRTPWYBXOBKA-SNVBAGLBSA-N 1 1 322.373 -1.385 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1nnn(C)c1C ZINC001448842774 929493454 /nfs/dbraw/zinc/49/34/54/929493454.db2.gz WDKRTPWYBXOBKA-JTQLQIEISA-N 1 1 322.373 -1.385 20 0 DAADMO COc1cncc(C[NH2+][C@H](CO)CNC(=O)c2cn(C)nn2)n1 ZINC001448842576 929493594 /nfs/dbraw/zinc/49/35/94/929493594.db2.gz WUEBODFSUHBQCU-JTQLQIEISA-N 1 1 321.341 -1.506 20 0 DAADMO Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)nn1 ZINC001448843965 929493605 /nfs/dbraw/zinc/49/36/05/929493605.db2.gz OXKXJGBCWFORSL-SNVBAGLBSA-N 1 1 305.342 -1.206 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC001448850231 929495278 /nfs/dbraw/zinc/49/52/78/929495278.db2.gz SKVYKPRVFYHPER-UWVGGRQHSA-N 1 1 310.358 -1.467 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001448862876 929498848 /nfs/dbraw/zinc/49/88/48/929498848.db2.gz USZGHYNGYYGQDI-PWSUYJOCSA-N 1 1 309.370 -1.487 20 0 DAADMO Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001448868188 929499692 /nfs/dbraw/zinc/49/96/92/929499692.db2.gz KECFOSTWVOKDSU-VJIDBOODSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CN1CCCCC1=O ZINC001448867621 929500179 /nfs/dbraw/zinc/50/01/79/929500179.db2.gz UMJKQJACFWXJFR-GFCCVEGCSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(C)C(=O)c1nnn(C)n1 ZINC001448871557 929502027 /nfs/dbraw/zinc/50/20/27/929502027.db2.gz DMXRHARRAGEYSD-UHFFFAOYSA-N 1 1 306.330 -1.397 20 0 DAADMO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)CN1CCOCC1 ZINC001448883230 929506313 /nfs/dbraw/zinc/50/63/13/929506313.db2.gz QHAWBUZUXNGILF-STQMWFEESA-N 1 1 317.430 -1.208 20 0 DAADMO COc1nc(C(=O)NC[C@H](CO)[NH2+]Cc2cnnn2C)co1 ZINC001448887488 929506721 /nfs/dbraw/zinc/50/67/21/929506721.db2.gz VVIKFVQVSNEECC-MRVPVSSYSA-N 1 1 310.314 -1.308 20 0 DAADMO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)CN1CCOCC1 ZINC001448883228 929506894 /nfs/dbraw/zinc/50/68/94/929506894.db2.gz QHAWBUZUXNGILF-QWHCGFSZSA-N 1 1 317.430 -1.208 20 0 DAADMO CNC(=O)NC(=O)CN[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001448894131 929508316 /nfs/dbraw/zinc/50/83/16/929508316.db2.gz WNLBUWQWWWUTBB-SECBINFHSA-N 1 1 303.363 -2.540 20 0 DAADMO CNC(=O)NC(=O)CN[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001448894136 929508862 /nfs/dbraw/zinc/50/88/62/929508862.db2.gz WNLBUWQWWWUTBB-VIFPVBQESA-N 1 1 303.363 -2.540 20 0 DAADMO Cc1nnsc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001448892052 929508991 /nfs/dbraw/zinc/50/89/91/929508991.db2.gz QOXNHNQWYROVBS-JGVFFNPUSA-N 1 1 314.371 -1.905 20 0 DAADMO CC(C)n1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001448890873 929509307 /nfs/dbraw/zinc/50/93/07/929509307.db2.gz PLANYIMKIDULAR-VXGBXAGGSA-N 1 1 324.385 -1.288 20 0 DAADMO CCn1nncc1C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001448896765 929511659 /nfs/dbraw/zinc/51/16/59/929511659.db2.gz ZJMIMYLCINQWBE-JTQLQIEISA-N 1 1 307.358 -1.088 20 0 DAADMO Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)nn1C ZINC001448913543 929513869 /nfs/dbraw/zinc/51/38/69/929513869.db2.gz WJUNZHZQMUFYGR-UTUOFQBUSA-N 1 1 309.370 -1.583 20 0 DAADMO CCn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 ZINC001448914114 929514292 /nfs/dbraw/zinc/51/42/92/929514292.db2.gz WPXJANYXOYKDQN-TUAOUCFPSA-N 1 1 309.370 -1.409 20 0 DAADMO CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)C1=O ZINC001448938542 929520133 /nfs/dbraw/zinc/52/01/33/929520133.db2.gz RXIOCXJGAVFWNL-VHSXEESVSA-N 1 1 310.358 -1.965 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NC ZINC001448944570 929522616 /nfs/dbraw/zinc/52/26/16/929522616.db2.gz IQGRZSWJJNDNND-NEPJUHHUSA-N 1 1 300.403 -1.327 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2nnnn2C2CC2)C1 ZINC001448950567 929525444 /nfs/dbraw/zinc/52/54/44/929525444.db2.gz IAFKEVBIYVFSQT-QWRGUYRKSA-N 1 1 323.401 -1.474 20 0 DAADMO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)N[C@@H](C)C(=O)NC(N)=O ZINC001448953158 929526009 /nfs/dbraw/zinc/52/60/09/929526009.db2.gz VFSDOTAGKHEXCW-UWVGGRQHSA-N 1 1 317.390 -2.023 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)N[C@@H](C)C(=O)NC(N)=O ZINC001448953158 929526016 /nfs/dbraw/zinc/52/60/16/929526016.db2.gz VFSDOTAGKHEXCW-UWVGGRQHSA-N 1 1 317.390 -2.023 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CCn3cnnn3)CCC[C@@H]12 ZINC001449011712 929529921 /nfs/dbraw/zinc/52/99/21/929529921.db2.gz JUEFIGSXPCIIFG-RISCZKNCSA-N 1 1 321.385 -1.078 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CCNC(N)=O ZINC001449024086 929532629 /nfs/dbraw/zinc/53/26/29/929532629.db2.gz WZNNIBACYMRWDW-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(=O)[nH]c1=O ZINC001449062191 929535562 /nfs/dbraw/zinc/53/55/62/929535562.db2.gz AOSWNSVVRFGUJD-UWVGGRQHSA-N 1 1 308.338 -1.233 20 0 DAADMO CN(CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(=O)Cn1ncnn1 ZINC001449085316 929536051 /nfs/dbraw/zinc/53/60/51/929536051.db2.gz RWECTWOMKFBHCB-AWEZNQCLSA-N 1 1 321.385 -1.266 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C[C@@H]1CCCO1 ZINC001449096533 929536549 /nfs/dbraw/zinc/53/65/49/929536549.db2.gz RAJQEACPHTWNQZ-MNOVXSKESA-N 1 1 312.374 -1.312 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)c1cnsn1 ZINC001449094393 929537194 /nfs/dbraw/zinc/53/71/94/929537194.db2.gz ONGWGCNBDLLMIX-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ccon1)C(=O)CS(C)(=O)=O ZINC001449098579 929539228 /nfs/dbraw/zinc/53/92/28/929539228.db2.gz WSUYRUQUORXRSN-SNVBAGLBSA-N 1 1 305.356 -1.372 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cnns1 ZINC001449097076 929540424 /nfs/dbraw/zinc/54/04/24/929540424.db2.gz SIEDHXSFDQMQHU-QMMMGPOBSA-N 1 1 311.371 -1.111 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1COCCO1 ZINC001449109225 929542011 /nfs/dbraw/zinc/54/20/11/929542011.db2.gz CMZAEYUSIQLYHZ-ZJUUUORDSA-N 1 1 314.346 -2.466 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)[C@H]1COCCO1 ZINC001449109150 929542632 /nfs/dbraw/zinc/54/26/32/929542632.db2.gz CMZAEYUSIQLYHZ-NXEZZACHSA-N 1 1 314.346 -2.466 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1COC(=O)N1 ZINC001449119188 929543461 /nfs/dbraw/zinc/54/34/61/929543461.db2.gz KSFKELCBEZGSQI-UWVGGRQHSA-N 1 1 312.330 -2.168 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ccon1)C(=O)CN1CCOCC1 ZINC001449116310 929544328 /nfs/dbraw/zinc/54/43/28/929544328.db2.gz UFMRCBZSSCEVIU-ZDUSSCGKSA-N 1 1 312.370 -1.084 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)Cc1cnn(C)c1 ZINC001449117364 929544409 /nfs/dbraw/zinc/54/44/09/929544409.db2.gz RTNCRHBMJXMCIM-CYBMUJFWSA-N 1 1 321.385 -1.300 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)cn1)c1nnnn1C ZINC001449120342 929544454 /nfs/dbraw/zinc/54/44/54/929544454.db2.gz VENUSOVNMKQIPQ-VHSXEESVSA-N 1 1 322.373 -1.273 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1COC(=O)N1 ZINC001449119191 929545071 /nfs/dbraw/zinc/54/50/71/929545071.db2.gz KSFKELCBEZGSQI-VHSXEESVSA-N 1 1 312.330 -2.168 20 0 DAADMO C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1)NC(N)=O ZINC001449135457 929548958 /nfs/dbraw/zinc/54/89/58/929548958.db2.gz ZZUZAYAXHWZQPO-QWRGUYRKSA-N 1 1 324.385 -1.168 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)[C@H]1CCC(=O)N1C ZINC001449142579 929550678 /nfs/dbraw/zinc/55/06/78/929550678.db2.gz YTZYBZVAJHJWOF-VXGBXAGGSA-N 1 1 324.385 -1.655 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001449136716 929551839 /nfs/dbraw/zinc/55/18/39/929551839.db2.gz IEWUIYRFEIAQPB-SECBINFHSA-N 1 1 321.341 -1.879 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001449141492 929551928 /nfs/dbraw/zinc/55/19/28/929551928.db2.gz WBHBNZMSZYXWMS-DTWKUNHWSA-N 1 1 311.346 -2.297 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001449147265 929552833 /nfs/dbraw/zinc/55/28/33/929552833.db2.gz PKXFWCCGVYTUEC-VIFPVBQESA-N 1 1 323.357 -1.523 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001449147262 929553067 /nfs/dbraw/zinc/55/30/67/929553067.db2.gz PKXFWCCGVYTUEC-SECBINFHSA-N 1 1 323.357 -1.523 20 0 DAADMO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001449150229 929553557 /nfs/dbraw/zinc/55/35/57/929553557.db2.gz QLJFHAURNQXMJA-JQWIXIFHSA-N 1 1 311.386 -1.257 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)c1cc2n(n1)CCO2 ZINC001449143941 929554359 /nfs/dbraw/zinc/55/43/59/929554359.db2.gz VJULFYYRCHGRHC-SNVBAGLBSA-N 1 1 322.325 -1.119 20 0 DAADMO COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001449147178 929554432 /nfs/dbraw/zinc/55/44/32/929554432.db2.gz FLKMIGNSOMEYLG-RWMBFGLXSA-N 1 1 303.403 -1.503 20 0 DAADMO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001449150224 929554544 /nfs/dbraw/zinc/55/45/44/929554544.db2.gz QLJFHAURNQXMJA-CMPLNLGQSA-N 1 1 311.386 -1.257 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nncs1)C(=O)Cc1nnc[nH]1 ZINC001449157752 929555205 /nfs/dbraw/zinc/55/52/05/929555205.db2.gz DOWBFZBIZOHPQZ-MRVPVSSYSA-N 1 1 311.371 -1.192 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cnn(C)n2)nn1 ZINC001449152400 929555763 /nfs/dbraw/zinc/55/57/63/929555763.db2.gz XGWYURFZZGFXLL-LLVKDONJSA-N 1 1 322.373 -1.351 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001449154390 929556397 /nfs/dbraw/zinc/55/63/97/929556397.db2.gz BMGCJEPPQHASGW-UWVGGRQHSA-N 1 1 311.386 -1.030 20 0 DAADMO CN(CCNC(=O)CCn1cnnn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449150913 929556903 /nfs/dbraw/zinc/55/69/03/929556903.db2.gz GZEHHWJBCWLUSH-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CCC(=O)N1C ZINC001449151743 929556970 /nfs/dbraw/zinc/55/69/70/929556970.db2.gz NNVQZOGRCOLUEQ-RYUDHWBXSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001449160664 929558389 /nfs/dbraw/zinc/55/83/89/929558389.db2.gz WXSOCIZZLILSRP-QWRGUYRKSA-N 1 1 309.370 -1.103 20 0 DAADMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1ccncn1)c1nnnn1C ZINC001449158668 929558571 /nfs/dbraw/zinc/55/85/71/929558571.db2.gz FEXWGSOQZFDZHX-NXEZZACHSA-N 1 1 320.357 -1.216 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001449176764 929560674 /nfs/dbraw/zinc/56/06/74/929560674.db2.gz LXVVAMSKKOLLSW-STQMWFEESA-N 1 1 301.387 -1.090 20 0 DAADMO CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001449176764 929560683 /nfs/dbraw/zinc/56/06/83/929560683.db2.gz LXVVAMSKKOLLSW-STQMWFEESA-N 1 1 301.387 -1.090 20 0 DAADMO Cc1nonc1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001449177587 929560961 /nfs/dbraw/zinc/56/09/61/929560961.db2.gz RUOGTVJIWCTGPA-JTQLQIEISA-N 1 1 309.330 -1.271 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCNS(C)(=O)=O)C(=O)C1CC1 ZINC001449171744 929561054 /nfs/dbraw/zinc/56/10/54/929561054.db2.gz BKRCJYOSYMTYFX-LLVKDONJSA-N 1 1 307.416 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O)C(=O)C1CC1 ZINC001449171744 929561062 /nfs/dbraw/zinc/56/10/62/929561062.db2.gz BKRCJYOSYMTYFX-LLVKDONJSA-N 1 1 307.416 -1.303 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001449180101 929561757 /nfs/dbraw/zinc/56/17/57/929561757.db2.gz ZMPLBGPKFPYIHV-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC ZINC001449180101 929561763 /nfs/dbraw/zinc/56/17/63/929561763.db2.gz ZMPLBGPKFPYIHV-SNVBAGLBSA-N 1 1 318.374 -1.770 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001449191818 929562523 /nfs/dbraw/zinc/56/25/23/929562523.db2.gz QREIWQNNNRFXMR-KOLCDFICSA-N 1 1 312.374 -1.556 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(N)=O)o1 ZINC001449185820 929562872 /nfs/dbraw/zinc/56/28/72/929562872.db2.gz ILOICCGRADIOCG-WPRPVWTQSA-N 1 1 313.358 -1.455 20 0 DAADMO Cc1nnc(CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(N)=O)o1 ZINC001449185820 929562879 /nfs/dbraw/zinc/56/28/79/929562879.db2.gz ILOICCGRADIOCG-WPRPVWTQSA-N 1 1 313.358 -1.455 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCOCC1=O ZINC001449191687 929563079 /nfs/dbraw/zinc/56/30/79/929563079.db2.gz BSHLAIVKIBCUAN-NEPJUHHUSA-N 1 1 317.386 -2.023 20 0 DAADMO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001449190879 929563132 /nfs/dbraw/zinc/56/31/32/929563132.db2.gz MYIGDKIKTXWBSR-MNOVXSKESA-N 1 1 300.363 -1.541 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NC)n1 ZINC001449185569 929563423 /nfs/dbraw/zinc/56/34/23/929563423.db2.gz GUXQOGHIHYCCPC-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO CCn1ncc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NC)n1 ZINC001449185569 929563429 /nfs/dbraw/zinc/56/34/29/929563429.db2.gz GUXQOGHIHYCCPC-JTQLQIEISA-N 1 1 312.374 -1.591 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)CCn1cncn1 ZINC001449182206 929563580 /nfs/dbraw/zinc/56/35/80/929563580.db2.gz BOUKDSGPDRCWCQ-GFCCVEGCSA-N 1 1 312.374 -1.835 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449182433 929563885 /nfs/dbraw/zinc/56/38/85/929563885.db2.gz DLTBPTVAXJHEJL-JTQLQIEISA-N 1 1 313.362 -2.488 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449182433 929563877 /nfs/dbraw/zinc/56/38/77/929563877.db2.gz DLTBPTVAXJHEJL-JTQLQIEISA-N 1 1 313.362 -2.488 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccnn1C ZINC001449191629 929564234 /nfs/dbraw/zinc/56/42/34/929564234.db2.gz OYPCSCJSXJICOJ-ZDUSSCGKSA-N 1 1 311.386 -1.193 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccnn1C ZINC001449191629 929564241 /nfs/dbraw/zinc/56/42/41/929564241.db2.gz OYPCSCJSXJICOJ-ZDUSSCGKSA-N 1 1 311.386 -1.193 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200344 929566123 /nfs/dbraw/zinc/56/61/23/929566123.db2.gz ZKKBBMFQRQDRCN-MNOVXSKESA-N 1 1 314.386 -1.766 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001449200344 929566128 /nfs/dbraw/zinc/56/61/28/929566128.db2.gz ZKKBBMFQRQDRCN-MNOVXSKESA-N 1 1 314.386 -1.766 20 0 DAADMO CNC(=O)NCC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001449198194 929566216 /nfs/dbraw/zinc/56/62/16/929566216.db2.gz KLDJBQKVVFRVAY-NXEZZACHSA-N 1 1 315.374 -2.445 20 0 DAADMO Cc1cn(C)nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC001449200128 929566258 /nfs/dbraw/zinc/56/62/58/929566258.db2.gz XSNQZHYJHJGKSW-NEPJUHHUSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1cnnn1 ZINC001449197856 929566547 /nfs/dbraw/zinc/56/65/47/929566547.db2.gz WFXLMMGICALJSS-LBPRGKRZSA-N 1 1 322.373 -1.642 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)Cc1cnn(C)c1)C(=O)Cn1cnnn1 ZINC001449197852 929566798 /nfs/dbraw/zinc/56/67/98/929566798.db2.gz WFXLMMGICALJSS-GFCCVEGCSA-N 1 1 322.373 -1.642 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449193595 929567061 /nfs/dbraw/zinc/56/70/61/929567061.db2.gz DFRQWVVXAWMKNL-GHMZBOCLSA-N 1 1 314.386 -2.038 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001449193595 929567073 /nfs/dbraw/zinc/56/70/73/929567073.db2.gz DFRQWVVXAWMKNL-GHMZBOCLSA-N 1 1 314.386 -2.038 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NC(N)=O ZINC001449204526 929567985 /nfs/dbraw/zinc/56/79/85/929567985.db2.gz WSGRRHAZTJWKFE-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CCO[C@H](C)C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NC(N)=O ZINC001449204526 929567989 /nfs/dbraw/zinc/56/79/89/929567989.db2.gz WSGRRHAZTJWKFE-NXEZZACHSA-N 1 1 318.374 -1.643 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449203240 929568094 /nfs/dbraw/zinc/56/80/94/929568094.db2.gz YISPNVHHAFKPQN-UWVGGRQHSA-N 1 1 300.359 -2.299 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001449203240 929568099 /nfs/dbraw/zinc/56/80/99/929568099.db2.gz YISPNVHHAFKPQN-UWVGGRQHSA-N 1 1 300.359 -2.299 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(N)=O)on1 ZINC001449203902 929568945 /nfs/dbraw/zinc/56/89/45/929568945.db2.gz SCBRFOAIBSHQPC-BDAKNGLRSA-N 1 1 314.342 -1.078 20 0 DAADMO COc1cc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(N)=O)on1 ZINC001449203902 929568954 /nfs/dbraw/zinc/56/89/54/929568954.db2.gz SCBRFOAIBSHQPC-BDAKNGLRSA-N 1 1 314.342 -1.078 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001449201555 929569467 /nfs/dbraw/zinc/56/94/67/929569467.db2.gz PQAGYFPKROLSSM-PSASIEDQSA-N 1 1 313.383 -1.209 20 0 DAADMO CN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)C(=O)C1CC1 ZINC001449200956 929569872 /nfs/dbraw/zinc/56/98/72/929569872.db2.gz PZLQPDZCWBBSQT-LBPRGKRZSA-N 1 1 301.387 -1.402 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001449208981 929570038 /nfs/dbraw/zinc/57/00/38/929570038.db2.gz GPOIRAGVSPOVBD-MNOVXSKESA-N 1 1 324.385 -1.291 20 0 DAADMO C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001449211579 929570295 /nfs/dbraw/zinc/57/02/95/929570295.db2.gz IECPUQFYQSOGPB-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001449211579 929570303 /nfs/dbraw/zinc/57/03/03/929570303.db2.gz IECPUQFYQSOGPB-SFYZADRCSA-N 1 1 301.372 -1.223 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O)C(=O)CCn1ccnc1 ZINC001449214493 929570417 /nfs/dbraw/zinc/57/04/17/929570417.db2.gz NSSYNNHKAYHRIT-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001449208367 929570631 /nfs/dbraw/zinc/57/06/31/929570631.db2.gz DRLHDNTWUCLQLJ-CIQGVGRVSA-N 1 1 313.398 -1.234 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001449208367 929570637 /nfs/dbraw/zinc/57/06/37/929570637.db2.gz DRLHDNTWUCLQLJ-CIQGVGRVSA-N 1 1 313.398 -1.234 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001449233063 929571666 /nfs/dbraw/zinc/57/16/66/929571666.db2.gz CQHGAPJIGWHDLT-SECBINFHSA-N 1 1 315.349 -1.282 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001449233063 929571673 /nfs/dbraw/zinc/57/16/73/929571673.db2.gz CQHGAPJIGWHDLT-SECBINFHSA-N 1 1 315.349 -1.282 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCN1CCCC1=O ZINC001449235529 929571764 /nfs/dbraw/zinc/57/17/64/929571764.db2.gz QNNIYKOTNGKLEB-LBPRGKRZSA-N 1 1 301.387 -1.258 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCNC(=O)C1CC1)C(=O)c1cn[nH]n1 ZINC001449226619 929571807 /nfs/dbraw/zinc/57/18/07/929571807.db2.gz MOWCOTRLLYAHOM-LLVKDONJSA-N 1 1 324.385 -1.304 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001449226966 929572356 /nfs/dbraw/zinc/57/23/56/929572356.db2.gz RWKOJTQGEPBMDA-NSHDSACASA-N 1 1 315.374 -2.021 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001449233066 929572817 /nfs/dbraw/zinc/57/28/17/929572817.db2.gz CQHGAPJIGWHDLT-VIFPVBQESA-N 1 1 315.349 -1.282 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001449233066 929572825 /nfs/dbraw/zinc/57/28/25/929572825.db2.gz CQHGAPJIGWHDLT-VIFPVBQESA-N 1 1 315.349 -1.282 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001449234440 929573234 /nfs/dbraw/zinc/57/32/34/929573234.db2.gz PMBOPPHDQNZBOJ-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001449236462 929573690 /nfs/dbraw/zinc/57/36/90/929573690.db2.gz JZHSQHDNJVRCFA-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001449236462 929573695 /nfs/dbraw/zinc/57/36/95/929573695.db2.gz JZHSQHDNJVRCFA-MNOVXSKESA-N 1 1 314.386 -1.848 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001449228510 929573726 /nfs/dbraw/zinc/57/37/26/929573726.db2.gz ABGLWTDFZPDWBB-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233174 929573752 /nfs/dbraw/zinc/57/37/52/929573752.db2.gz WTSYDUCXFNILFD-KOLCDFICSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]n1 ZINC001449233174 929573759 /nfs/dbraw/zinc/57/37/59/929573759.db2.gz WTSYDUCXFNILFD-KOLCDFICSA-N 1 1 310.358 -1.600 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001449221876 929573968 /nfs/dbraw/zinc/57/39/68/929573968.db2.gz CCVDOIRROHKZHJ-BDAKNGLRSA-N 1 1 302.331 -2.672 20 0 DAADMO CNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001449239774 929574038 /nfs/dbraw/zinc/57/40/38/929574038.db2.gz ZKKSAXMJNINNMJ-LBPRGKRZSA-N 1 1 302.419 -1.176 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001449234270 929574112 /nfs/dbraw/zinc/57/41/12/929574112.db2.gz XGXGXCWAGGZUMI-STQMWFEESA-N 1 1 303.403 -1.550 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001449232185 929574145 /nfs/dbraw/zinc/57/41/45/929574145.db2.gz HSIQUWIVBZCASC-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCCS1(=O)=O ZINC001449232185 929574158 /nfs/dbraw/zinc/57/41/58/929574158.db2.gz HSIQUWIVBZCASC-NEPJUHHUSA-N 1 1 322.427 -1.303 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)CC(=O)N1CCCC1)C(=O)c1nc[nH]n1 ZINC001449245150 929574760 /nfs/dbraw/zinc/57/47/60/929574760.db2.gz DGYCXVDOTAONTA-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CC(=O)N1CCCC1)C(=O)c1nc[nH]n1 ZINC001449245150 929574765 /nfs/dbraw/zinc/57/47/65/929574765.db2.gz DGYCXVDOTAONTA-NSHDSACASA-N 1 1 324.385 -1.208 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001449243101 929575191 /nfs/dbraw/zinc/57/51/91/929575191.db2.gz MQTLLDKPLRMDOD-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248706 929575282 /nfs/dbraw/zinc/57/52/82/929575282.db2.gz GKPGPZRCXCEJBN-GXSJLCMTSA-N 1 1 324.385 -1.164 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449248706 929575291 /nfs/dbraw/zinc/57/52/91/929575291.db2.gz GKPGPZRCXCEJBN-GXSJLCMTSA-N 1 1 324.385 -1.164 20 0 DAADMO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449337987 929579931 /nfs/dbraw/zinc/57/99/31/929579931.db2.gz DIUWDAMQHTXDIQ-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@H](C)n1cncn1)[C@@H]1CCNC1=O ZINC001449327866 929580589 /nfs/dbraw/zinc/58/05/89/929580589.db2.gz KUSYPDQISAUXMV-NWDGAFQWSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@H](C)n1cncn1)[C@@H]1CCNC1=O ZINC001449327866 929580594 /nfs/dbraw/zinc/58/05/94/929580594.db2.gz KUSYPDQISAUXMV-NWDGAFQWSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@H+](CCNC(=O)[C@@H](C)n1cncn1)[C@H]1CCNC1=O ZINC001449327862 929580897 /nfs/dbraw/zinc/58/08/97/929580897.db2.gz KUSYPDQISAUXMV-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@@H+](CCNC(=O)[C@@H](C)n1cncn1)[C@H]1CCNC1=O ZINC001449327862 929580911 /nfs/dbraw/zinc/58/09/11/929580911.db2.gz KUSYPDQISAUXMV-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO COCC[N@@H+](CCO)CCNC(=O)c1ccn2nnnc2c1 ZINC001449341897 929580973 /nfs/dbraw/zinc/58/09/73/929580973.db2.gz SJAYGORJTDRSSR-UHFFFAOYSA-N 1 1 308.342 -1.205 20 0 DAADMO CCn1ncc(C(=O)NCC[N@H+](CCOC)[C@H]2CCNC2=O)n1 ZINC001449325949 929581480 /nfs/dbraw/zinc/58/14/80/929581480.db2.gz GGUDNFZSPBCAGL-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO CCn1ncc(C(=O)NCC[N@@H+](CCOC)[C@H]2CCNC2=O)n1 ZINC001449325949 929581484 /nfs/dbraw/zinc/58/14/84/929581484.db2.gz GGUDNFZSPBCAGL-LBPRGKRZSA-N 1 1 324.385 -1.135 20 0 DAADMO COCC[N@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCCNC1=O ZINC001449326292 929581613 /nfs/dbraw/zinc/58/16/13/929581613.db2.gz HJMLRFSLMOXLQT-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO COCC[N@@H+](CCNC(=O)c1ncn(C)n1)[C@@H]1CCCNC1=O ZINC001449326292 929581616 /nfs/dbraw/zinc/58/16/16/929581616.db2.gz HJMLRFSLMOXLQT-LLVKDONJSA-N 1 1 324.385 -1.228 20 0 DAADMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)C(=O)CNC(N)=O ZINC001449403182 929584334 /nfs/dbraw/zinc/58/43/34/929584334.db2.gz RFORLQMDIYEDGH-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001449600553 929591750 /nfs/dbraw/zinc/59/17/50/929591750.db2.gz VIKGYCKXDAPWJG-UWVGGRQHSA-N 1 1 320.357 -1.112 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001449600568 929592392 /nfs/dbraw/zinc/59/23/92/929592392.db2.gz VIKGYCKXDAPWJG-ZJUUUORDSA-N 1 1 320.357 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H](C)[N@@H+]1CCO ZINC001449680547 929593137 /nfs/dbraw/zinc/59/31/37/929593137.db2.gz CTDPNCZEGXAYRD-TXEJJXNPSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H](C)[N@@H+]1CCO ZINC001449688387 929594416 /nfs/dbraw/zinc/59/44/16/929594416.db2.gz VSEIDJVBYJPNNO-PHIMTYICSA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCNC(=O)Cn2cnnn2)C2CC2)C1 ZINC001449799965 929596283 /nfs/dbraw/zinc/59/62/83/929596283.db2.gz LCPPBSQNRQPOJW-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001449857283 929599357 /nfs/dbraw/zinc/59/93/57/929599357.db2.gz HTGBVQVFUUYYEP-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001449857283 929599363 /nfs/dbraw/zinc/59/93/63/929599363.db2.gz HTGBVQVFUUYYEP-PWSUYJOCSA-N 1 1 314.386 -1.584 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001449924653 929600667 /nfs/dbraw/zinc/60/06/67/929600667.db2.gz DKQUSAQUXKHZHM-JTQLQIEISA-N 1 1 320.357 -1.159 20 0 DAADMO C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)Cn1cnnn1 ZINC001450101678 929606255 /nfs/dbraw/zinc/60/62/55/929606255.db2.gz RKUIAHWHSXGPJU-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C(=O)Cn1cnnn1 ZINC001450101686 929606704 /nfs/dbraw/zinc/60/67/04/929606704.db2.gz RKUIAHWHSXGPJU-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001450103943 929606750 /nfs/dbraw/zinc/60/67/50/929606750.db2.gz DBJUYFPTNLJICA-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO COCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001450103943 929606768 /nfs/dbraw/zinc/60/67/68/929606768.db2.gz DBJUYFPTNLJICA-NSHDSACASA-N 1 1 315.370 -1.957 20 0 DAADMO C[NH+]1CCN(CC2CN(C(=O)CN3C(=O)CCC3=O)C2)CC1 ZINC001450172358 929611062 /nfs/dbraw/zinc/61/10/62/929611062.db2.gz NSSPHCNNQYNTOU-UHFFFAOYSA-N 1 1 308.382 -1.159 20 0 DAADMO Cn1cnn(CC(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1=O ZINC001450183826 929612989 /nfs/dbraw/zinc/61/29/89/929612989.db2.gz SWHZKEQSHHEYRQ-UHFFFAOYSA-N 1 1 308.386 -1.712 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001450307764 929618424 /nfs/dbraw/zinc/61/84/24/929618424.db2.gz GCKAXYDKMZTVRB-LBPRGKRZSA-N 1 1 312.370 -1.878 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001450307764 929618435 /nfs/dbraw/zinc/61/84/35/929618435.db2.gz GCKAXYDKMZTVRB-LBPRGKRZSA-N 1 1 312.370 -1.878 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001450309112 929620939 /nfs/dbraw/zinc/62/09/39/929620939.db2.gz IZBRAJHJWOBXLJ-VXGBXAGGSA-N 1 1 315.370 -1.695 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001450309112 929620947 /nfs/dbraw/zinc/62/09/47/929620947.db2.gz IZBRAJHJWOBXLJ-VXGBXAGGSA-N 1 1 315.370 -1.695 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001513483394 929635228 /nfs/dbraw/zinc/63/52/28/929635228.db2.gz RGQNPGIBBJEOLZ-AXFHLTTASA-N 1 1 312.370 -2.109 20 0 DAADMO C[C@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001519903065 929654819 /nfs/dbraw/zinc/65/48/19/929654819.db2.gz WESFNBCCBSCTLI-YFKTTZPYSA-N 1 1 323.397 -1.465 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001521504475 929663200 /nfs/dbraw/zinc/66/32/00/929663200.db2.gz VAMNSDODQCNPNO-CHWSQXEVSA-N 1 1 311.430 -1.454 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001522087563 929665733 /nfs/dbraw/zinc/66/57/33/929665733.db2.gz UFJUMHCRFYSRBI-HIFRSBDPSA-N 1 1 307.442 -1.167 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001522089699 929666244 /nfs/dbraw/zinc/66/62/44/929666244.db2.gz QPSORTFYEAUCQE-CQSZACIVSA-N 1 1 314.386 -1.454 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001522528452 929675984 /nfs/dbraw/zinc/67/59/84/929675984.db2.gz XRAOREMMTGZCOV-QWRGUYRKSA-N 1 1 301.343 -2.035 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001522528452 929675990 /nfs/dbraw/zinc/67/59/90/929675990.db2.gz XRAOREMMTGZCOV-QWRGUYRKSA-N 1 1 301.343 -2.035 20 0 DAADMO NC(=O)CC(=O)NCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001522564585 929679742 /nfs/dbraw/zinc/67/97/42/929679742.db2.gz DUISAUJRKCTSCT-UHFFFAOYSA-N 1 1 307.354 -1.130 20 0 DAADMO NC(=O)CC(=O)NCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001522564386 929680328 /nfs/dbraw/zinc/68/03/28/929680328.db2.gz AQDUMBROBJGNIT-UHFFFAOYSA-N 1 1 323.353 -1.008 20 0 DAADMO Cn1ccc(CCC(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001522568038 929682739 /nfs/dbraw/zinc/68/27/39/929682739.db2.gz DTPRIBSNXKBOQE-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1ccc(CCC(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001522568038 929682745 /nfs/dbraw/zinc/68/27/45/929682745.db2.gz DTPRIBSNXKBOQE-CYBMUJFWSA-N 1 1 323.397 -1.084 20 0 DAADMO CNC(=O)CCCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001522567349 929682811 /nfs/dbraw/zinc/68/28/11/929682811.db2.gz HOAWOQIDANMMNY-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)CCCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001522567349 929682815 /nfs/dbraw/zinc/68/28/15/929682815.db2.gz HOAWOQIDANMMNY-NSHDSACASA-N 1 1 314.386 -1.534 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001522583822 929683728 /nfs/dbraw/zinc/68/37/28/929683728.db2.gz XYQFTHZTMPQFEY-NSHDSACASA-N 1 1 307.354 -1.050 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001522617869 929686523 /nfs/dbraw/zinc/68/65/23/929686523.db2.gz NLPTTXFAPPXYMG-UHFFFAOYSA-N 1 1 310.358 -1.617 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001522657036 929689887 /nfs/dbraw/zinc/68/98/87/929689887.db2.gz JLUQDPIVAFXGLJ-SECBINFHSA-N 1 1 306.388 -2.138 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001522653748 929690538 /nfs/dbraw/zinc/69/05/38/929690538.db2.gz KZLOARIVXNCQIG-NSHDSACASA-N 1 1 319.365 -1.022 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cncn2C)C1 ZINC001522676075 929691500 /nfs/dbraw/zinc/69/15/00/929691500.db2.gz VPCGWBVZXCFOQT-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)Cc2cncn2C)C1 ZINC001522676075 929691509 /nfs/dbraw/zinc/69/15/09/929691509.db2.gz VPCGWBVZXCFOQT-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)CNC(=O)NC)C1 ZINC001522676148 929691717 /nfs/dbraw/zinc/69/17/17/929691717.db2.gz WHJDPMUSLGYLQX-SNVBAGLBSA-N 1 1 315.374 -2.132 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNC(=O)CNC(=O)NC)C1 ZINC001522676148 929691722 /nfs/dbraw/zinc/69/17/22/929691722.db2.gz WHJDPMUSLGYLQX-SNVBAGLBSA-N 1 1 315.374 -2.132 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCNC(=O)c1cn(C)c(=O)cn1 ZINC001522698160 929694838 /nfs/dbraw/zinc/69/48/38/929694838.db2.gz MFFCZTVEEBHJNR-UHFFFAOYSA-N 1 1 309.370 -1.034 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001522742909 929697801 /nfs/dbraw/zinc/69/78/01/929697801.db2.gz RQHGPWJSJGDGIQ-NSHDSACASA-N 1 1 324.381 -1.244 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)CCn1cnnn1 ZINC001522743211 929698522 /nfs/dbraw/zinc/69/85/22/929698522.db2.gz XTOPHPPAHBUTLV-LLVKDONJSA-N 1 1 309.374 -1.220 20 0 DAADMO Cn1nncc1C(=O)NCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001522868417 929707878 /nfs/dbraw/zinc/70/78/78/929707878.db2.gz ACUKMZFLDRSFPM-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO Cn1nncc1C(=O)NCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001522868417 929707889 /nfs/dbraw/zinc/70/78/89/929707889.db2.gz ACUKMZFLDRSFPM-LLVKDONJSA-N 1 1 310.358 -1.618 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)Cc2cc[nH]n2)C1 ZINC001522867166 929707941 /nfs/dbraw/zinc/70/79/41/929707941.db2.gz YTNJNIUFVRYWRN-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)Cc2cc[nH]n2)C1 ZINC001522867166 929707952 /nfs/dbraw/zinc/70/79/52/929707952.db2.gz YTNJNIUFVRYWRN-LBPRGKRZSA-N 1 1 309.370 -1.095 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001522962897 929713087 /nfs/dbraw/zinc/71/30/87/929713087.db2.gz YWVMXYFZZILYDP-GHMZBOCLSA-N 1 1 324.381 -1.244 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001522962899 929713133 /nfs/dbraw/zinc/71/31/33/929713133.db2.gz YWVMXYFZZILYDP-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001523199989 929721664 /nfs/dbraw/zinc/72/16/64/929721664.db2.gz ADZVHTMJGTUHNF-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001523199989 929721673 /nfs/dbraw/zinc/72/16/73/929721673.db2.gz ADZVHTMJGTUHNF-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CN(CCCNC(=O)c1cnn[nH]1)C(=O)[C@H]1CN(C)CCO1 ZINC001523578134 929726860 /nfs/dbraw/zinc/72/68/60/929726860.db2.gz FWEDLBMIUUQZNH-LLVKDONJSA-N 1 1 310.358 -1.286 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCN(C)C(=O)CNC(N)=O ZINC001523627964 929729245 /nfs/dbraw/zinc/72/92/45/929729245.db2.gz RBVIOEIQTKVUAM-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001523742806 929731227 /nfs/dbraw/zinc/73/12/27/929731227.db2.gz VKLRAMPXIKXKKK-NSHDSACASA-N 1 1 313.402 -1.027 20 0 DAADMO CCOCC(=O)NCCC[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001524041622 929733316 /nfs/dbraw/zinc/73/33/16/929733316.db2.gz ZYULOLFNCCCYNK-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CCC(=O)NCCC[NH+]1CCN(C(=O)Cn2ncnn2)CC1 ZINC001524040129 929733755 /nfs/dbraw/zinc/73/37/55/929733755.db2.gz UXGWAKVLOPYOSS-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CC(=O)N1CC[NH+](CCCNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001524048901 929734704 /nfs/dbraw/zinc/73/47/04/929734704.db2.gz YIZALETWZXQQJA-UHFFFAOYSA-N 1 1 324.381 -1.290 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001526230258 929760593 /nfs/dbraw/zinc/76/05/93/929760593.db2.gz MKMJLIPFSGDLRY-YABSGUDNSA-N 1 1 321.385 -1.412 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001526472088 929763667 /nfs/dbraw/zinc/76/36/67/929763667.db2.gz AHHIDWXJSUXCSJ-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001526472088 929763671 /nfs/dbraw/zinc/76/36/71/929763671.db2.gz AHHIDWXJSUXCSJ-WDEREUQCSA-N 1 1 314.386 -1.536 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001526603036 929765196 /nfs/dbraw/zinc/76/51/96/929765196.db2.gz TTXDXMNUJKIVIN-JTQLQIEISA-N 1 1 322.431 -1.503 20 0 DAADMO C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001526771137 929769058 /nfs/dbraw/zinc/76/90/58/929769058.db2.gz PZHQNHXDDBPZRQ-ZJUUUORDSA-N 1 1 324.381 -1.388 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001527108829 929773098 /nfs/dbraw/zinc/77/30/98/929773098.db2.gz GZDCLPYNPWQXPB-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001527282447 929778952 /nfs/dbraw/zinc/77/89/52/929778952.db2.gz LPWDHRPDDCBHEQ-GFCCVEGCSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1C(=O)CNC1=O ZINC001527679539 929782787 /nfs/dbraw/zinc/78/27/87/929782787.db2.gz JLVOPMGSQUHGPM-MNOVXSKESA-N 1 1 309.370 -1.567 20 0 DAADMO CN(CCNC(=O)CCn1cncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001527928649 929785908 /nfs/dbraw/zinc/78/59/08/929785908.db2.gz OVUHYJYTRAQVQT-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)CCn1cncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001527928649 929785914 /nfs/dbraw/zinc/78/59/14/929785914.db2.gz OVUHYJYTRAQVQT-GFCCVEGCSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CCNC(=O)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001527998816 929789780 /nfs/dbraw/zinc/78/97/80/929789780.db2.gz XIZWCUHEHQTMAS-UHFFFAOYSA-N 1 1 300.359 -1.841 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)c1cn(C)cn1 ZINC001528004874 929790679 /nfs/dbraw/zinc/79/06/79/929790679.db2.gz YXSXXRGSELSMPG-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)c1cn(C)cn1 ZINC001528004874 929790686 /nfs/dbraw/zinc/79/06/86/929790686.db2.gz YXSXXRGSELSMPG-GFCCVEGCSA-N 1 1 309.370 -1.061 20 0 DAADMO CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001528007700 929790981 /nfs/dbraw/zinc/79/09/81/929790981.db2.gz ULRRZCQTIRMJHW-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO CN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001528007701 929792329 /nfs/dbraw/zinc/79/23/29/929792329.db2.gz ULRRZCQTIRMJHW-QWHCGFSZSA-N 1 1 312.414 -1.157 20 0 DAADMO CNC(=O)NCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1C ZINC001528175870 929797395 /nfs/dbraw/zinc/79/73/95/929797395.db2.gz ABSKENBQTLTXNH-UHFFFAOYSA-N 1 1 310.358 -1.305 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CNC(C)=O)C1 ZINC001528222112 929798485 /nfs/dbraw/zinc/79/84/85/929798485.db2.gz AJTSIWFKZWLEGD-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCN(C)C(=O)CNC(C)=O)C1 ZINC001528222112 929798495 /nfs/dbraw/zinc/79/84/95/929798495.db2.gz AJTSIWFKZWLEGD-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001528419688 929805143 /nfs/dbraw/zinc/80/51/43/929805143.db2.gz CQGIHRMNUQUKEJ-LLVKDONJSA-N 1 1 322.369 -1.210 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001528419689 929805595 /nfs/dbraw/zinc/80/55/95/929805595.db2.gz CQGIHRMNUQUKEJ-NSHDSACASA-N 1 1 322.369 -1.210 20 0 DAADMO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CCn1cnnn1 ZINC001528430879 929806976 /nfs/dbraw/zinc/80/69/76/929806976.db2.gz HYYHFQSAEVULOG-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001528419930 929807033 /nfs/dbraw/zinc/80/70/33/929807033.db2.gz LNRVSAXCBYJRHL-MNOVXSKESA-N 1 1 307.354 -1.112 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001528582707 929812365 /nfs/dbraw/zinc/81/23/65/929812365.db2.gz ARAHGILOHVKLMT-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001528583195 929812723 /nfs/dbraw/zinc/81/27/23/929812723.db2.gz FBXFBVVUJUVNDX-MNOVXSKESA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CCn2cnnn2)C1 ZINC001528665909 929814176 /nfs/dbraw/zinc/81/41/76/929814176.db2.gz HUEIIMZRXRWDNE-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO CN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001528681120 929816368 /nfs/dbraw/zinc/81/63/68/929816368.db2.gz VAKCMINJRKSENL-NSHDSACASA-N 1 1 310.358 -1.817 20 0 DAADMO CN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001528681120 929816379 /nfs/dbraw/zinc/81/63/79/929816379.db2.gz VAKCMINJRKSENL-NSHDSACASA-N 1 1 310.358 -1.817 20 0 DAADMO CCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)CNC(N)=O ZINC001528863757 929819782 /nfs/dbraw/zinc/81/97/82/929819782.db2.gz PWMQKVYZVNWDSF-UHFFFAOYSA-N 1 1 310.358 -1.175 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001530363259 929840431 /nfs/dbraw/zinc/84/04/31/929840431.db2.gz VOLWPGKYHRQITP-SNVBAGLBSA-N 1 1 314.342 -2.000 20 0 DAADMO COC(=O)NCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001530363259 929840438 /nfs/dbraw/zinc/84/04/38/929840438.db2.gz VOLWPGKYHRQITP-SNVBAGLBSA-N 1 1 314.342 -2.000 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CNC(=O)C3CC3)C2)C1 ZINC001530449274 929847484 /nfs/dbraw/zinc/84/74/84/929847484.db2.gz WYCOGQPIAWWTFH-NSHDSACASA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C1(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001530449256 929848683 /nfs/dbraw/zinc/84/86/83/929848683.db2.gz WKRAQAABFGHURM-JTQLQIEISA-N 1 1 308.382 -1.209 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001530484432 929849383 /nfs/dbraw/zinc/84/93/83/929849383.db2.gz DWMWVNPYXLBPDS-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001530714300 929865604 /nfs/dbraw/zinc/86/56/04/929865604.db2.gz GKBIPFXDAXZSHC-ONGXEEELSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)NCC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530791876 929868045 /nfs/dbraw/zinc/86/80/45/929868045.db2.gz PMSVBVKVOIMLSM-NSHDSACASA-N 1 1 311.386 -1.558 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)Cn2ncnn2)C1 ZINC001530777058 929869174 /nfs/dbraw/zinc/86/91/74/929869174.db2.gz QLTLAZPYJWEBQB-UHFFFAOYSA-N 1 1 318.341 -1.547 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001530832026 929870760 /nfs/dbraw/zinc/87/07/60/929870760.db2.gz ZUBAYLMJVDKWNS-LBPRGKRZSA-N 1 1 319.365 -1.098 20 0 DAADMO CC[C@H](CNC(=O)CNC(C)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001531049690 929877162 /nfs/dbraw/zinc/87/71/62/929877162.db2.gz MPJIEWLJOYJQKF-VXGBXAGGSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](CNC(=O)CNC(C)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001531049690 929877168 /nfs/dbraw/zinc/87/71/68/929877168.db2.gz MPJIEWLJOYJQKF-VXGBXAGGSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@H](CNC(=O)Cn1cnnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531069854 929878935 /nfs/dbraw/zinc/87/89/35/929878935.db2.gz KXJSRRZBWSJGRH-GHMZBOCLSA-N 1 1 309.374 -1.364 20 0 DAADMO CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001531320654 929884424 /nfs/dbraw/zinc/88/44/24/929884424.db2.gz MEVWAUVWMRJHDZ-WDEREUQCSA-N 1 1 322.369 -1.116 20 0 DAADMO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)Cn1cc[nH+]c1C ZINC001531441836 929885711 /nfs/dbraw/zinc/88/57/11/929885711.db2.gz WELPVQFIBAOPSB-MNOVXSKESA-N 1 1 322.369 -1.116 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)CNC(=O)Cn1cnnn1 ZINC001532095191 929890655 /nfs/dbraw/zinc/89/06/55/929890655.db2.gz FLWIATACFHFVCR-JTQLQIEISA-N 1 1 320.357 -1.253 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001532255800 929893713 /nfs/dbraw/zinc/89/37/13/929893713.db2.gz TWTFULXDYNJZDF-ZJUUUORDSA-N 1 1 300.359 -1.939 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNC(=O)C(N)=O)C1 ZINC001532255800 929893714 /nfs/dbraw/zinc/89/37/14/929893714.db2.gz TWTFULXDYNJZDF-ZJUUUORDSA-N 1 1 300.359 -1.939 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001532300255 929894970 /nfs/dbraw/zinc/89/49/70/929894970.db2.gz PNWKLZRDTIKONA-ONGXEEELSA-N 1 1 322.369 -1.259 20 0 DAADMO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)CN1CN=NC1=O ZINC001532931161 929901275 /nfs/dbraw/zinc/90/12/75/929901275.db2.gz SUXNZXXTHVNEBE-LLVKDONJSA-N 1 1 324.385 -1.005 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)Cn2cnnn2)C1 ZINC001532886759 929901440 /nfs/dbraw/zinc/90/14/40/929901440.db2.gz VFGFCVQGCYLHJP-LBPRGKRZSA-N 1 1 323.401 -1.068 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)COC)C1 ZINC001533154442 929909511 /nfs/dbraw/zinc/90/95/11/929909511.db2.gz UYTKFGRJMXGIKA-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)COC)C1 ZINC001533154442 929909519 /nfs/dbraw/zinc/90/95/19/929909519.db2.gz UYTKFGRJMXGIKA-QWRGUYRKSA-N 1 1 303.359 -2.053 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173837 929913558 /nfs/dbraw/zinc/91/35/58/929913558.db2.gz CICJQNGFCSPSKF-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNC(=O)c2ccoc2)C1 ZINC001533173837 929913564 /nfs/dbraw/zinc/91/35/64/929913564.db2.gz CICJQNGFCSPSKF-NWDGAFQWSA-N 1 1 311.338 -1.183 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001533171261 929913645 /nfs/dbraw/zinc/91/36/45/929913645.db2.gz MPCZUDWMTOZWJK-LBPRGKRZSA-N 1 1 320.353 -1.168 20 0 DAADMO Cn1cc(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001533172564 929913858 /nfs/dbraw/zinc/91/38/58/929913858.db2.gz VSFRHVMAKHNARH-ZYHUDNBSSA-N 1 1 309.370 -1.421 20 0 DAADMO Cn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001533172561 929914227 /nfs/dbraw/zinc/91/42/27/929914227.db2.gz VSFRHVMAKHNARH-JQWIXIFHSA-N 1 1 309.370 -1.421 20 0 DAADMO Cc1c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nnn1C ZINC001533207320 929924472 /nfs/dbraw/zinc/92/44/72/929924472.db2.gz IMBQGNXASCYBEC-MNOVXSKESA-N 1 1 324.385 -1.575 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217152 929927390 /nfs/dbraw/zinc/92/73/90/929927390.db2.gz NUPVZRNAMFKNQZ-STQMWFEESA-N 1 1 311.382 -1.124 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNC(=O)C2CC=CC2)C1 ZINC001533217152 929927397 /nfs/dbraw/zinc/92/73/97/929927397.db2.gz NUPVZRNAMFKNQZ-STQMWFEESA-N 1 1 311.382 -1.124 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001533266237 929936607 /nfs/dbraw/zinc/93/66/07/929936607.db2.gz HRRFWWLRPSVZOC-GHMZBOCLSA-N 1 1 309.370 -1.123 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001533269528 929936687 /nfs/dbraw/zinc/93/66/87/929936687.db2.gz QLBJIPPHBFXGRX-GMTAPVOTSA-N 1 1 324.385 -1.340 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)c2ccn(C)n2)CC[N@H+]1C ZINC001533267014 929936991 /nfs/dbraw/zinc/93/69/91/929936991.db2.gz LYJRIAPJGAKYKO-IJLUTSLNSA-N 1 1 323.397 -1.033 20 0 DAADMO Cc1c[nH]c(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001533266258 929937930 /nfs/dbraw/zinc/93/79/30/929937930.db2.gz HRRFWWLRPSVZOC-WDEREUQCSA-N 1 1 309.370 -1.123 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001533289856 929940398 /nfs/dbraw/zinc/94/03/98/929940398.db2.gz QAHAMRPFZDFBBI-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289856 929940406 /nfs/dbraw/zinc/94/04/06/929940406.db2.gz QAHAMRPFZDFBBI-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001533289856 929940415 /nfs/dbraw/zinc/94/04/15/929940415.db2.gz QAHAMRPFZDFBBI-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289856 929940420 /nfs/dbraw/zinc/94/04/20/929940420.db2.gz QAHAMRPFZDFBBI-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001533289856 929940428 /nfs/dbraw/zinc/94/04/28/929940428.db2.gz QAHAMRPFZDFBBI-WDEREUQCSA-N 1 1 324.385 -1.114 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001533294152 929941135 /nfs/dbraw/zinc/94/11/35/929941135.db2.gz WEXCTPAIRYIDGA-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001533298654 929941849 /nfs/dbraw/zinc/94/18/49/929941849.db2.gz WTMOLDXTJMBULF-JTQLQIEISA-N 1 1 312.374 -1.636 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ncn[nH]1)[NH+](C)C ZINC001533307494 929942901 /nfs/dbraw/zinc/94/29/01/929942901.db2.gz DWNODHZVRXXGLT-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO CC(C)[C@H](C(=O)NC[C@@H](O)CNC(=O)c1nc[nH]n1)[NH+](C)C ZINC001533307494 929942908 /nfs/dbraw/zinc/94/29/08/929942908.db2.gz DWNODHZVRXXGLT-NXEZZACHSA-N 1 1 312.374 -1.402 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC/C=C\CNC(=O)Cn1cnnn1 ZINC001533366870 929945135 /nfs/dbraw/zinc/94/51/35/929945135.db2.gz CFQKMLJONJQTLX-IHWYPQMZSA-N 1 1 318.341 -1.333 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)Cn2cnnn2)C1 ZINC001533370233 929947318 /nfs/dbraw/zinc/94/73/18/929947318.db2.gz VLIFMHIBFDUCGX-VUDBWIFFSA-N 1 1 307.358 -1.587 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001533480635 929950219 /nfs/dbraw/zinc/95/02/19/929950219.db2.gz PRZVLMHBDCMILT-MMJBKMRYSA-N 1 1 310.354 -1.165 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001533480640 929950604 /nfs/dbraw/zinc/95/06/04/929950604.db2.gz PRZVLMHBDCMILT-ZROCKMJXSA-N 1 1 310.354 -1.165 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CNC(=O)N1 ZINC001533585871 929954271 /nfs/dbraw/zinc/95/42/71/929954271.db2.gz KDXUKVIMLIHLBF-LVUHIJSRSA-N 1 1 309.370 -1.449 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1 ZINC001533585878 929954334 /nfs/dbraw/zinc/95/43/34/929954334.db2.gz KDXUKVIMLIHLBF-ZROCKMJXSA-N 1 1 309.370 -1.449 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001534103312 929961966 /nfs/dbraw/zinc/96/19/66/929961966.db2.gz ICEZCUVAFBZCCR-QJPTWQEYSA-N 1 1 301.387 -1.045 20 0 DAADMO CC(C)[C@@H](O)C(=O)N[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001534103312 929961971 /nfs/dbraw/zinc/96/19/71/929961971.db2.gz ICEZCUVAFBZCCR-QJPTWQEYSA-N 1 1 301.387 -1.045 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001534255303 929963418 /nfs/dbraw/zinc/96/34/18/929963418.db2.gz HNWSDHCPAIIUGS-GARJFASQSA-N 1 1 324.381 -1.246 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]2CNC(=O)CS(C)(=O)=O)C1 ZINC001534708336 929971552 /nfs/dbraw/zinc/97/15/52/929971552.db2.gz CIDTUHAPJRGRFS-QWRGUYRKSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCN1C(=O)Cn1cnnn1)C1CCC1 ZINC001534870717 929977475 /nfs/dbraw/zinc/97/74/75/929977475.db2.gz BBCWNCDWXYWHCC-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001534967906 929980956 /nfs/dbraw/zinc/98/09/56/929980956.db2.gz GNZGYLCILZEKPH-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001534954965 929981401 /nfs/dbraw/zinc/98/14/01/929981401.db2.gz SPZVDCKRTJBKTD-GARJFASQSA-N 1 1 311.386 -1.146 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CCn1cnnn1 ZINC001534988568 929982036 /nfs/dbraw/zinc/98/20/36/929982036.db2.gz BBUGOAYYMNRTQS-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H]1CNC(=O)C(N)=O)CC2 ZINC001535007881 929982851 /nfs/dbraw/zinc/98/28/51/929982851.db2.gz JIQXHZHJAYCCIM-ZYHUDNBSSA-N 1 1 319.365 -1.044 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)Cn3cnnn3)CC2)C1 ZINC001535109771 929987177 /nfs/dbraw/zinc/98/71/77/929987177.db2.gz GASJHMOLTZOOFE-JTQLQIEISA-N 1 1 307.358 -1.610 20 0 DAADMO CNC(=O)NCC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001535278733 929989839 /nfs/dbraw/zinc/98/98/39/929989839.db2.gz MHPVVJXKOFBJJO-JTQLQIEISA-N 1 1 311.386 -1.368 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)Cn3ncnn3)CC2)C1 ZINC001535278132 929990993 /nfs/dbraw/zinc/99/09/93/929990993.db2.gz GOHSPGOODYIIBI-SNVBAGLBSA-N 1 1 307.358 -1.610 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001535531200 929991593 /nfs/dbraw/zinc/99/15/93/929991593.db2.gz WCLIUMFZORFVFR-SNVBAGLBSA-N 1 1 311.386 -1.227 20 0 DAADMO C[N@@H+](CC(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)C1CCC1 ZINC001535874952 929995980 /nfs/dbraw/zinc/99/59/80/929995980.db2.gz WFPLVVOTLOYVJE-NSHDSACASA-N 1 1 323.397 -1.083 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001535874918 929996166 /nfs/dbraw/zinc/99/61/66/929996166.db2.gz VNPMFIZORYUWOH-UWVGGRQHSA-N 1 1 309.370 -1.473 20 0 DAADMO CNC(=O)NCC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001536399834 930002719 /nfs/dbraw/zinc/00/27/19/930002719.db2.gz YQEWDQSYIDASPN-SNVBAGLBSA-N 1 1 311.386 -1.464 20 0 DAADMO CN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001536438494 930004857 /nfs/dbraw/zinc/00/48/57/930004857.db2.gz ICRHAJBVAIVVRU-UHFFFAOYSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(NC(=O)Cn3cnnn3)C2)C1 ZINC001536742410 930009834 /nfs/dbraw/zinc/00/98/34/930009834.db2.gz OTFHDAVUYHMTJD-BXUZGUMPSA-N 1 1 321.385 -1.268 20 0 DAADMO CN1CC[NH+](CCCNC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001540430260 930021985 /nfs/dbraw/zinc/02/19/85/930021985.db2.gz FPGWWDWAXQMALE-UHFFFAOYSA-N 1 1 304.416 -1.439 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC001548427236 930030178 /nfs/dbraw/zinc/03/01/78/930030178.db2.gz PTKRHCSIXLVSQM-UFBFGSQYSA-N 1 1 308.342 -1.263 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCCS1(=O)=O ZINC001548636070 930032798 /nfs/dbraw/zinc/03/27/98/930032798.db2.gz QDXHRLKSHNSQEK-RYUDHWBXSA-N 1 1 316.427 -1.474 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548622209 930033020 /nfs/dbraw/zinc/03/30/20/930033020.db2.gz JLUZPAILSVELMP-UONOGXRCSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1CCN(CC(N)=O)CC1 ZINC001548620775 930033060 /nfs/dbraw/zinc/03/30/60/930033060.db2.gz LMPFHZCSRKIDMX-AAEUAGOBSA-N 1 1 309.414 -1.559 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC001548647887 930033131 /nfs/dbraw/zinc/03/31/31/930033131.db2.gz DJIZMYWFLFVMCK-UTUOFQBUSA-N 1 1 316.427 -1.475 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC001548650362 930033246 /nfs/dbraw/zinc/03/32/46/930033246.db2.gz LAVUFXKXSZPHJZ-WOPDTQHZSA-N 1 1 316.427 -1.346 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC1CCN(CC(N)=O)CC1 ZINC001548620781 930033556 /nfs/dbraw/zinc/03/35/56/930033556.db2.gz LMPFHZCSRKIDMX-DGCLKSJQSA-N 1 1 309.414 -1.559 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548625730 930033593 /nfs/dbraw/zinc/03/35/93/930033593.db2.gz PUNSICBRVKZHFG-UKRRQHHQSA-N 1 1 323.441 -1.345 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCC(=O)N1CCN(C)CC1 ZINC001548646957 930034304 /nfs/dbraw/zinc/03/43/04/930034304.db2.gz LNCFASCZRZICQI-ZIAGYGMSSA-N 1 1 323.441 -1.345 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548622208 930034659 /nfs/dbraw/zinc/03/46/59/930034659.db2.gz JLUZPAILSVELMP-KGLIPLIRSA-N 1 1 323.441 -1.345 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548644527 930034682 /nfs/dbraw/zinc/03/46/82/930034682.db2.gz DQWMWSLOOQQNFG-GHMZBOCLSA-N 1 1 304.416 -1.570 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC001548647881 930034902 /nfs/dbraw/zinc/03/49/02/930034902.db2.gz DJIZMYWFLFVMCK-IJLUTSLNSA-N 1 1 316.427 -1.475 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548634736 930035278 /nfs/dbraw/zinc/03/52/78/930035278.db2.gz IOIRUGSCRQTMDJ-VXGBXAGGSA-N 1 1 318.443 -1.181 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001548619447 930035957 /nfs/dbraw/zinc/03/59/57/930035957.db2.gz GJXCDHWVSJQXFW-NWDGAFQWSA-N 1 1 316.427 -1.522 20 0 DAADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@@]1(O)CCOC1 ZINC001548656535 930036697 /nfs/dbraw/zinc/03/66/97/930036697.db2.gz LZQMRYGZZWJVQM-ZDUSSCGKSA-N 1 1 315.370 -1.114 20 0 DAADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@@]1(O)CCOC1 ZINC001548656535 930036706 /nfs/dbraw/zinc/03/67/06/930036706.db2.gz LZQMRYGZZWJVQM-ZDUSSCGKSA-N 1 1 315.370 -1.114 20 0 DAADMO CN1C[C@H](NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1=O ZINC001548656637 930037552 /nfs/dbraw/zinc/03/75/52/930037552.db2.gz NYQAURFKBNRONI-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO CN1C[C@H](NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1=O ZINC001548656637 930037557 /nfs/dbraw/zinc/03/75/57/930037557.db2.gz NYQAURFKBNRONI-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC1(CC(N)=O)CCOCC1 ZINC001548663339 930037575 /nfs/dbraw/zinc/03/75/75/930037575.db2.gz GDMNNWOSXUQELN-RYUDHWBXSA-N 1 1 310.398 -1.085 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001548723709 930039751 /nfs/dbraw/zinc/03/97/51/930039751.db2.gz UVEPLPGGUFSHNA-IJLUTSLNSA-N 1 1 305.386 -1.118 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001548725987 930040475 /nfs/dbraw/zinc/04/04/75/930040475.db2.gz MKNKISQMOKWAIY-QNWHQSFQSA-N 1 1 311.382 -1.243 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001548723708 930040636 /nfs/dbraw/zinc/04/06/36/930040636.db2.gz UVEPLPGGUFSHNA-GRYCIOLGSA-N 1 1 305.386 -1.118 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCS(=O)(=O)N(C)C ZINC001548707449 930040844 /nfs/dbraw/zinc/04/08/44/930040844.db2.gz XMWCYDWDHPVLFM-GHMZBOCLSA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(c2nncn2C)CC1 ZINC001548726779 930041322 /nfs/dbraw/zinc/04/13/22/930041322.db2.gz JPTSPLKAIGMIEZ-QWHCGFSZSA-N 1 1 319.413 -1.148 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nncn2C)CC1 ZINC001548726780 930041456 /nfs/dbraw/zinc/04/14/56/930041456.db2.gz JPTSPLKAIGMIEZ-STQMWFEESA-N 1 1 319.413 -1.148 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCC2(C1)OCCO2 ZINC001548731091 930041551 /nfs/dbraw/zinc/04/15/51/930041551.db2.gz DQDGOVAXDHDUOL-UONOGXRCSA-N 1 1 324.425 -1.060 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCS(=O)(=O)N(C)C ZINC001548707450 930041762 /nfs/dbraw/zinc/04/17/62/930041762.db2.gz XMWCYDWDHPVLFM-MNOVXSKESA-N 1 1 304.416 -1.618 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC(=O)Nc1ccn(C)n1 ZINC001548694529 930041785 /nfs/dbraw/zinc/04/17/85/930041785.db2.gz UFRABILANYIWLC-MNOVXSKESA-N 1 1 306.370 -1.137 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC001548719420 930041812 /nfs/dbraw/zinc/04/18/12/930041812.db2.gz SLGNGORPUDGJMT-QWRGUYRKSA-N 1 1 309.370 -2.469 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001548722071 930042008 /nfs/dbraw/zinc/04/20/08/930042008.db2.gz JKTZGSCZTJMYFY-XBFCOCLRSA-N 1 1 307.398 -1.172 20 0 DAADMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC001548735572 930043104 /nfs/dbraw/zinc/04/31/04/930043104.db2.gz LOVFEXCFZZCAQC-KBPBESRZSA-N 1 1 323.441 -1.393 20 0 DAADMO C[NH+](C)[C@@]1(C(=O)N2CC(O)(C(N)=O)C2)COc2ccccc2C1 ZINC001548732216 930043301 /nfs/dbraw/zinc/04/33/01/930043301.db2.gz DMRCOBWGUJLYHG-OAHLLOKOSA-N 1 1 319.361 -1.020 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(c2nccnn2)CC1 ZINC001548732612 930043773 /nfs/dbraw/zinc/04/37/73/930043773.db2.gz IEJNUQBIAGFLEQ-OLZOCXBDSA-N 1 1 317.397 -1.092 20 0 DAADMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC12COCCN1CCOC2 ZINC001548733523 930044442 /nfs/dbraw/zinc/04/44/42/930044442.db2.gz JCGVLUZIXINRJT-KGLIPLIRSA-N 1 1 324.425 -1.408 20 0 DAADMO CCn1cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)c(=O)[nH]c1=O ZINC001548770101 930045634 /nfs/dbraw/zinc/04/56/34/930045634.db2.gz NLYPAQQZDHVHEJ-CMPLNLGQSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)c1=O ZINC001548981076 930046507 /nfs/dbraw/zinc/04/65/07/930046507.db2.gz JIZHKFBLGZPPEZ-IJLUTSLNSA-N 1 1 309.370 -1.314 20 0 DAADMO COC1(c2cnnn2C)CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001548811033 930047178 /nfs/dbraw/zinc/04/71/78/930047178.db2.gz RUVHSCZPZMEOHD-ZWNOBZJWSA-N 1 1 309.370 -1.046 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CC(=O)NC1=O ZINC001549044153 930047309 /nfs/dbraw/zinc/04/73/09/930047309.db2.gz VXRDQACLLMNSRG-SECBINFHSA-N 1 1 306.326 -1.555 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001548978509 930047411 /nfs/dbraw/zinc/04/74/11/930047411.db2.gz WZETZGYOXBKMBO-JHJVBQTASA-N 1 1 311.382 -1.051 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC001549139472 930049505 /nfs/dbraw/zinc/04/95/05/930049505.db2.gz LQSMQNVJXRSODJ-WDEREUQCSA-N 1 1 312.370 -1.131 20 0 DAADMO Cn1nccc1[C@@H]1[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)CC(=O)N1C ZINC001549046721 930050566 /nfs/dbraw/zinc/05/05/66/930050566.db2.gz BWIRVVHLYJHTJK-KWBADKCTSA-N 1 1 307.354 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549173552 930050913 /nfs/dbraw/zinc/05/09/13/930050913.db2.gz VOLWXQWSLDKSEY-OUAUKWLOSA-N 1 1 312.370 -1.858 20 0 DAADMO C[C@@H]1C[N@@H+](CN2C[C@@H](O)CC2=O)C[C@@H]1C(=O)N1CCOCC1 ZINC001549173936 930051092 /nfs/dbraw/zinc/05/10/92/930051092.db2.gz WTKMWAQBFLYVMA-AGIUHOORSA-N 1 1 311.382 -1.036 20 0 DAADMO NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](N2CCOCC2)C12CCC2 ZINC001549301150 930052469 /nfs/dbraw/zinc/05/24/69/930052469.db2.gz PPAQIBVXDPDBCC-TUAOUCFPSA-N 1 1 310.398 -1.051 20 0 DAADMO O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)CNC1 ZINC001549293535 930052555 /nfs/dbraw/zinc/05/25/55/930052555.db2.gz WSIUWZGXJIIPAQ-RYUDHWBXSA-N 1 1 323.397 -1.933 20 0 DAADMO CC(=O)N[C@@]1(c2nc(C)no2)CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC001549301792 930052754 /nfs/dbraw/zinc/05/27/54/930052754.db2.gz WJDLOQKDMMOMHO-RISCZKNCSA-N 1 1 323.353 -1.070 20 0 DAADMO O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1(O)CNC1 ZINC001549293533 930052778 /nfs/dbraw/zinc/05/27/78/930052778.db2.gz WSIUWZGXJIIPAQ-NEPJUHHUSA-N 1 1 323.397 -1.933 20 0 DAADMO O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)[C@H]1CC(=O)NC(=O)N1 ZINC001549395444 930053621 /nfs/dbraw/zinc/05/36/21/930053621.db2.gz GRQOOWQSAPWPCX-GWOFURMSSA-N 1 1 310.354 -1.312 20 0 DAADMO O=C(N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)[C@H]1CC(=O)NC(=O)N1 ZINC001549395447 930054113 /nfs/dbraw/zinc/05/41/13/930054113.db2.gz GRQOOWQSAPWPCX-LNFKQOIKSA-N 1 1 310.354 -1.312 20 0 DAADMO Cc1c([C@@H]2C[N@H+]([C@@H]3CC(=O)N(C)C3=O)C[C@H]2C(N)=O)cnn1C ZINC001549522142 930054903 /nfs/dbraw/zinc/05/49/03/930054903.db2.gz KDDRNAXWJCKEKM-QJPTWQEYSA-N 1 1 319.365 -1.013 20 0 DAADMO Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CN2CC[NH+](C)CC2)cn1 ZINC001549713900 930058472 /nfs/dbraw/zinc/05/84/72/930058472.db2.gz CUPZHAWLHBVHKL-UONOGXRCSA-N 1 1 323.397 -1.070 20 0 DAADMO Cn1cc(O[C@H]2COC[C@@H]2NC(=O)CN2CC[NH+](C)CC2)cn1 ZINC001549713897 930058501 /nfs/dbraw/zinc/05/85/01/930058501.db2.gz CUPZHAWLHBVHKL-KBPBESRZSA-N 1 1 323.397 -1.070 20 0 DAADMO O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)[C@H]1CNCCO1 ZINC001549728028 930059194 /nfs/dbraw/zinc/05/91/94/930059194.db2.gz GIVMHMZOYGNNOR-OUCADQQQSA-N 1 1 310.398 -1.262 20 0 DAADMO COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CNCCO1 ZINC001550066602 930060174 /nfs/dbraw/zinc/06/01/74/930060174.db2.gz HYVJHVBYFRWKQC-NFAWXSAZSA-N 1 1 323.397 -1.322 20 0 DAADMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1nc2n(n1)CCCN2 ZINC001550059085 930060357 /nfs/dbraw/zinc/06/03/57/930060357.db2.gz ABXIIFLHUOHGAF-JTQLQIEISA-N 1 1 316.369 -1.129 20 0 DAADMO CC(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2CO)CC1 ZINC001550144101 930062006 /nfs/dbraw/zinc/06/20/06/930062006.db2.gz HNWHYRUQMHCCOL-GJZGRUSLSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC001550115548 930062855 /nfs/dbraw/zinc/06/28/55/930062855.db2.gz BETCWOFXGDTPLE-KGLIPLIRSA-N 1 1 323.441 -1.297 20 0 DAADMO C[C@H](NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CO)C(=O)N(C)C ZINC001550146175 930063295 /nfs/dbraw/zinc/06/32/95/930063295.db2.gz ZOVFWURSPFHFAE-AVGNSLFASA-N 1 1 312.414 -1.280 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001551084857 930063828 /nfs/dbraw/zinc/06/38/28/930063828.db2.gz NTMDJBAGPXYZKT-STQMWFEESA-N 1 1 315.439 -1.017 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)C1 ZINC001551084857 930063836 /nfs/dbraw/zinc/06/38/36/930063836.db2.gz NTMDJBAGPXYZKT-STQMWFEESA-N 1 1 315.439 -1.017 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001550908405 930063944 /nfs/dbraw/zinc/06/39/44/930063944.db2.gz NSPFQBPEMGBAKH-NWDGAFQWSA-N 1 1 317.411 -1.022 20 0 DAADMO O=C(N1CCS(=O)(=O)CC1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001550908405 930063956 /nfs/dbraw/zinc/06/39/56/930063956.db2.gz NSPFQBPEMGBAKH-NWDGAFQWSA-N 1 1 317.411 -1.022 20 0 DAADMO CNC(=O)[C@]12C[N@H+](CC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551410448 930065508 /nfs/dbraw/zinc/06/55/08/930065508.db2.gz QFDNNLBDFOADCZ-IUODEOHRSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CC(=O)N3CCNCC3)C[C@@H]1COCC2 ZINC001551410448 930065518 /nfs/dbraw/zinc/06/55/18/930065518.db2.gz QFDNNLBDFOADCZ-IUODEOHRSA-N 1 1 310.398 -1.497 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CN3CC(=O)N(C)C3=O)C[C@H]1COCC2 ZINC001551406894 930065677 /nfs/dbraw/zinc/06/56/77/930065677.db2.gz LALAGDWYPBBQLV-IINYFYTJSA-N 1 1 310.354 -1.078 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551436070 930066711 /nfs/dbraw/zinc/06/67/11/930066711.db2.gz NUBFTZLOCCJMRP-QMTHXVAHSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)[C@]12C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]1COCC2 ZINC001551428779 930067060 /nfs/dbraw/zinc/06/70/60/930067060.db2.gz WYFDVUGPFZXCFC-IINYFYTJSA-N 1 1 310.354 -1.377 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551420273 930067205 /nfs/dbraw/zinc/06/72/05/930067205.db2.gz MBMHNYVBMOBFIF-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551420276 930067873 /nfs/dbraw/zinc/06/78/73/930067873.db2.gz MBMHNYVBMOBFIF-IINYFYTJSA-N 1 1 312.370 -1.083 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1C[C@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551436062 930067976 /nfs/dbraw/zinc/06/79/76/930067976.db2.gz NUBFTZLOCCJMRP-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCNC[C@H]2C)nn1 ZINC001552162092 930070272 /nfs/dbraw/zinc/07/02/72/930070272.db2.gz VOTXISPQXKBMFY-NTZNESFSSA-N 1 1 308.386 -1.200 20 0 DAADMO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNC[C@@H]2C)nn1 ZINC001552162086 930071499 /nfs/dbraw/zinc/07/14/99/930071499.db2.gz VOTXISPQXKBMFY-DMDPSCGWSA-N 1 1 308.386 -1.200 20 0 DAADMO Cn1nc2n(c1=O)CCN(C(=O)C1CN(C)CC[N@@H+](C)C1)C2 ZINC001553327090 930074939 /nfs/dbraw/zinc/07/49/39/930074939.db2.gz DUDPKMATVORWRK-UHFFFAOYSA-N 1 1 308.386 -1.583 20 0 DAADMO CC(=O)N1CCO[C@@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C[C@@H]21 ZINC001552990442 930074982 /nfs/dbraw/zinc/07/49/82/930074982.db2.gz MBFPQNMRAVLTCE-LSDHHAIUSA-N 1 1 324.425 -1.062 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001556761216 930080312 /nfs/dbraw/zinc/08/03/12/930080312.db2.gz RPVFTHNVSNIRGM-NSHDSACASA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001556761215 930081079 /nfs/dbraw/zinc/08/10/79/930081079.db2.gz RPVFTHNVSNIRGM-LLVKDONJSA-N 1 1 310.354 -1.235 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001559635134 930089183 /nfs/dbraw/zinc/08/91/83/930089183.db2.gz LQRFJSZYJOFYMX-QWRGUYRKSA-N 1 1 301.343 -2.347 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001559635134 930089190 /nfs/dbraw/zinc/08/91/90/930089190.db2.gz LQRFJSZYJOFYMX-QWRGUYRKSA-N 1 1 301.343 -2.347 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001560193949 930090954 /nfs/dbraw/zinc/09/09/54/930090954.db2.gz OQPCGJLQLGMTCM-JTQLQIEISA-N 1 1 313.445 -1.074 20 0 DAADMO NC(=O)NC(=O)OCCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560169595 930091394 /nfs/dbraw/zinc/09/13/94/930091394.db2.gz RBDMSTGVSKHCNI-MRVPVSSYSA-N 1 1 321.359 -1.984 20 0 DAADMO NC(=O)NC(=O)OCCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560169595 930091405 /nfs/dbraw/zinc/09/14/05/930091405.db2.gz RBDMSTGVSKHCNI-MRVPVSSYSA-N 1 1 321.359 -1.984 20 0 DAADMO O=C1CNC(=O)N1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560168948 930091722 /nfs/dbraw/zinc/09/17/22/930091722.db2.gz DQIVBTLSIGSXEJ-SECBINFHSA-N 1 1 317.371 -2.238 20 0 DAADMO O=C1CNC(=O)N1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001560168948 930091728 /nfs/dbraw/zinc/09/17/28/930091728.db2.gz DQIVBTLSIGSXEJ-SECBINFHSA-N 1 1 317.371 -2.238 20 0 DAADMO COCCCS(=O)(=O)NCC[NH+]1CCC(O)(C(N)=O)CC1 ZINC001559832703 930092164 /nfs/dbraw/zinc/09/21/64/930092164.db2.gz YIDWUWKRDDTODJ-UHFFFAOYSA-N 1 1 323.415 -1.746 20 0 DAADMO CN1CCN(Cc2cc(=O)n3nc(N)[nH]c3n2)CC[N@@H+](C)CC1 ZINC001560172097 930092456 /nfs/dbraw/zinc/09/24/56/930092456.db2.gz NMZHDWLMLLOXGD-UHFFFAOYSA-N 1 1 320.401 -1.321 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001563962675 930095556 /nfs/dbraw/zinc/09/55/56/930095556.db2.gz WDVFRLVSTBIXKT-KXNHARMFSA-N 1 1 322.365 -1.236 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001563962676 930095894 /nfs/dbraw/zinc/09/58/94/930095894.db2.gz WDVFRLVSTBIXKT-WHOHXGKFSA-N 1 1 322.365 -1.236 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1COCO1 ZINC001565070250 930098057 /nfs/dbraw/zinc/09/80/57/930098057.db2.gz XEGYCHDJVAAZAQ-MNOVXSKESA-N 1 1 300.359 -1.002 20 0 DAADMO C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001592417707 978018795 /nfs/dbraw/zinc/01/87/95/978018795.db2.gz AYGJVIAEPFKMEY-NSHDSACASA-N 1 1 320.415 -1.383 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(=O)[O-])CC1 ZINC001595922288 983038358 /nfs/dbraw/zinc/03/83/58/983038358.db2.gz SQEIKXKUXYLEKC-NSHDSACASA-N 1 1 314.386 -1.105 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC001598119681 990536900 /nfs/dbraw/zinc/53/69/00/990536900.db2.gz PQKNZPYNBQGAGF-WDEREUQCSA-N 1 1 314.386 -1.153 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@H+](CCC[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725472 995514484 /nfs/dbraw/zinc/51/44/84/995514484.db2.gz YEZACTBRNVNNRJ-UONOGXRCSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](CCC[NH+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725472 995514494 /nfs/dbraw/zinc/51/44/94/995514494.db2.gz YEZACTBRNVNNRJ-UONOGXRCSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[NH+](CCC[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725472 995514501 /nfs/dbraw/zinc/51/45/01/995514501.db2.gz YEZACTBRNVNNRJ-UONOGXRCSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@@]1(O)CC[NH+](CCC[N@H+]2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001598725472 995514506 /nfs/dbraw/zinc/51/45/06/995514506.db2.gz YEZACTBRNVNNRJ-UONOGXRCSA-N 1 1 316.354 -1.492 20 0 DAADMO COC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1C(=O)[O-] ZINC001598822607 996345737 /nfs/dbraw/zinc/34/57/37/996345737.db2.gz RNHJVBUKXPMHJM-MNOVXSKESA-N 1 1 313.354 -1.386 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719405 781918735 /nfs/dbraw/zinc/91/87/35/781918735.db2.gz LSBBDHQBHTVHBQ-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719405 781918741 /nfs/dbraw/zinc/91/87/41/781918741.db2.gz LSBBDHQBHTVHBQ-NWDGAFQWSA-N 1 1 323.397 -1.179 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001191677580 781919821 /nfs/dbraw/zinc/91/98/21/781919821.db2.gz XLMMMBVPHDMFTM-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191696311 781920461 /nfs/dbraw/zinc/92/04/61/781920461.db2.gz CTVSFNOCTYIOPV-LNFKQOIKSA-N 1 1 301.343 -2.566 20 0 DAADMO COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191697559 781920612 /nfs/dbraw/zinc/92/06/12/781920612.db2.gz VDRJKVCCCACEQK-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191765713 781920630 /nfs/dbraw/zinc/92/06/30/781920630.db2.gz ZJYHRVYJAOFSKW-QJPTWQEYSA-N 1 1 314.386 -1.545 20 0 DAADMO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191765713 781920634 /nfs/dbraw/zinc/92/06/34/781920634.db2.gz ZJYHRVYJAOFSKW-QJPTWQEYSA-N 1 1 314.386 -1.545 20 0 DAADMO CN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C1CC1 ZINC001191770114 781920840 /nfs/dbraw/zinc/92/08/40/781920840.db2.gz FAJVNTYNLWCSDE-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C1CC1 ZINC001191770114 781920846 /nfs/dbraw/zinc/92/08/46/781920846.db2.gz FAJVNTYNLWCSDE-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191777833 781921837 /nfs/dbraw/zinc/92/18/37/781921837.db2.gz QXTJFYILYJQDHX-QJPTWQEYSA-N 1 1 317.386 -1.929 20 0 DAADMO CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698537 781921869 /nfs/dbraw/zinc/92/18/69/781921869.db2.gz ZZBNMQMQOGEYTP-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746424 781923270 /nfs/dbraw/zinc/92/32/70/781923270.db2.gz UVZJNQFJXGDJLS-BDAKNGLRSA-N 1 1 313.358 -1.775 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001191746424 781923277 /nfs/dbraw/zinc/92/32/77/781923277.db2.gz UVZJNQFJXGDJLS-BDAKNGLRSA-N 1 1 313.358 -1.775 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668436455 545646894 /nfs/dbraw/zinc/64/68/94/545646894.db2.gz FOJXNWUVJNMDJC-UMSGYPCISA-N 1 1 300.355 -1.764 20 0 DAADMO CCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191784951 781924517 /nfs/dbraw/zinc/92/45/17/781924517.db2.gz MAGLKKMUGYDKKC-FRRDWIJNSA-N 1 1 312.414 -1.232 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191786177 781924806 /nfs/dbraw/zinc/92/48/06/781924806.db2.gz XOJNKCVXMPYQFI-JHJVBQTASA-N 1 1 312.414 -1.234 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191789457 781925125 /nfs/dbraw/zinc/92/51/25/781925125.db2.gz FJQRDYRPCDFHSK-YUMQZZPRSA-N 1 1 324.345 -2.060 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001191801296 781925604 /nfs/dbraw/zinc/92/56/04/781925604.db2.gz BIUHFLMBQPHUOV-GMTAPVOTSA-N 1 1 303.359 -2.319 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001191807476 781925953 /nfs/dbraw/zinc/92/59/53/781925953.db2.gz QMKIPEGYVXFNBK-RAIGVLPGSA-N 1 1 312.370 -1.489 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001191854728 781926711 /nfs/dbraw/zinc/92/67/11/781926711.db2.gz QFGCMINJFGBLPK-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cn1 ZINC001191854728 781926705 /nfs/dbraw/zinc/92/67/05/781926705.db2.gz QFGCMINJFGBLPK-CHWSQXEVSA-N 1 1 312.370 -1.313 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827559 781927107 /nfs/dbraw/zinc/92/71/07/781927107.db2.gz FWHIULWBMYQBEX-SVDPJWKOSA-N 1 1 310.354 -1.394 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827559 781927116 /nfs/dbraw/zinc/92/71/16/781927116.db2.gz FWHIULWBMYQBEX-SVDPJWKOSA-N 1 1 310.354 -1.394 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408005545 545666904 /nfs/dbraw/zinc/66/69/04/545666904.db2.gz RCFRQNXMTVNNMU-NWDGAFQWSA-N 1 1 318.443 -1.098 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)cn1 ZINC001191854828 781927397 /nfs/dbraw/zinc/92/73/97/781927397.db2.gz SVMMOHSLJUKTJG-YNEHKIRRSA-N 1 1 312.370 -1.315 20 0 DAADMO NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000408034624 545668983 /nfs/dbraw/zinc/66/89/83/545668983.db2.gz GXXKIMBNCLHVFF-MNOVXSKESA-N 1 1 302.400 -1.734 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827211 781927617 /nfs/dbraw/zinc/92/76/17/781927617.db2.gz BFWRBMOCHXZRNH-MEWQQHAOSA-N 1 1 324.381 -1.133 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191827211 781927621 /nfs/dbraw/zinc/92/76/21/781927621.db2.gz BFWRBMOCHXZRNH-MEWQQHAOSA-N 1 1 324.381 -1.133 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191860166 781927728 /nfs/dbraw/zinc/92/77/28/781927728.db2.gz XUIGSGGWDCPYFO-LVEVGFFFSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668891828 545677967 /nfs/dbraw/zinc/67/79/67/545677967.db2.gz CZRMCECTYJCWAW-YNEHKIRRSA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001191860157 781928378 /nfs/dbraw/zinc/92/83/78/781928378.db2.gz XUIGSGGWDCPYFO-JCIQBVFBSA-N 1 1 324.381 -1.005 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000408316165 545685447 /nfs/dbraw/zinc/68/54/47/545685447.db2.gz ABKIGGWLJXKKKO-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000408316165 545685453 /nfs/dbraw/zinc/68/54/53/545685453.db2.gz ABKIGGWLJXKKKO-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000408316163 545685465 /nfs/dbraw/zinc/68/54/65/545685465.db2.gz ABKIGGWLJXKKKO-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000408316163 545685471 /nfs/dbraw/zinc/68/54/71/545685471.db2.gz ABKIGGWLJXKKKO-QWRGUYRKSA-N 1 1 307.416 -1.209 20 0 DAADMO CN(C)C(=O)CN1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000679652910 545690336 /nfs/dbraw/zinc/69/03/36/545690336.db2.gz UCZULPBHRNSDSY-UHFFFAOYSA-N 1 1 311.430 -1.534 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+](CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000343040155 545696928 /nfs/dbraw/zinc/69/69/28/545696928.db2.gz YXEVGZKWXXVGFX-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000343040155 545696932 /nfs/dbraw/zinc/69/69/32/545696932.db2.gz YXEVGZKWXXVGFX-SNVBAGLBSA-N 1 1 321.399 -1.032 20 0 DAADMO COC(=O)[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+](C)C1 ZINC000416576124 545697825 /nfs/dbraw/zinc/69/78/25/545697825.db2.gz COXAMEJIMYLJFN-NSHDSACASA-N 1 1 321.399 -1.400 20 0 DAADMO COC(=O)[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+](C)C1 ZINC000416576124 545697818 /nfs/dbraw/zinc/69/78/18/545697818.db2.gz COXAMEJIMYLJFN-NSHDSACASA-N 1 1 321.399 -1.400 20 0 DAADMO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714520 191221536 /nfs/dbraw/zinc/22/15/36/191221536.db2.gz MNAMLIFTKKABGZ-BDAKNGLRSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072714520 191221539 /nfs/dbraw/zinc/22/15/39/191221539.db2.gz MNAMLIFTKKABGZ-BDAKNGLRSA-N 1 1 312.370 -1.060 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000331343300 545702547 /nfs/dbraw/zinc/70/25/47/545702547.db2.gz ZFAKBJNRZWAAHS-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000331343300 545702551 /nfs/dbraw/zinc/70/25/51/545702551.db2.gz ZFAKBJNRZWAAHS-SNVBAGLBSA-N 1 1 308.404 -1.781 20 0 DAADMO CCCC[N@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072889355 191248715 /nfs/dbraw/zinc/24/87/15/191248715.db2.gz NDPPNXSQGWLFNB-UHFFFAOYSA-N 1 1 312.370 -1.057 20 0 DAADMO CCCC[N@@H+](CCO)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000072889355 191248716 /nfs/dbraw/zinc/24/87/16/191248716.db2.gz NDPPNXSQGWLFNB-UHFFFAOYSA-N 1 1 312.370 -1.057 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000331283940 545703253 /nfs/dbraw/zinc/70/32/53/545703253.db2.gz MGAKOHTZEUCHAS-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CC(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000331296679 545704238 /nfs/dbraw/zinc/70/42/38/545704238.db2.gz TYBLHZGXTDTWOC-RYUDHWBXSA-N 1 1 301.387 -1.259 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001191946828 781930749 /nfs/dbraw/zinc/93/07/49/781930749.db2.gz FPXCSJOOAPMGBH-NOZJJQNGSA-N 1 1 316.333 -1.157 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001191946828 781930755 /nfs/dbraw/zinc/93/07/55/781930755.db2.gz FPXCSJOOAPMGBH-NOZJJQNGSA-N 1 1 316.333 -1.157 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1C ZINC001191935445 781930948 /nfs/dbraw/zinc/93/09/48/781930948.db2.gz AALQWCXAPZWXIG-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c1C ZINC001191935445 781930955 /nfs/dbraw/zinc/93/09/55/781930955.db2.gz AALQWCXAPZWXIG-VXGBXAGGSA-N 1 1 312.370 -1.190 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001191935574 781931766 /nfs/dbraw/zinc/93/17/66/781931766.db2.gz FMZHLQAQTGQSAU-IJLUTSLNSA-N 1 1 312.370 -1.191 20 0 DAADMO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191944307 781932332 /nfs/dbraw/zinc/93/23/32/781932332.db2.gz AIUAPWBGCQGGRO-JHJVBQTASA-N 1 1 302.371 -1.417 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001191916149 781932979 /nfs/dbraw/zinc/93/29/79/781932979.db2.gz HLHHEQNZERAYCQ-QJPTWQEYSA-N 1 1 306.359 -2.182 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191916242 781933033 /nfs/dbraw/zinc/93/30/33/781933033.db2.gz KKTSLERVEOTKNF-VXGBXAGGSA-N 1 1 306.359 -2.180 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191916242 781933040 /nfs/dbraw/zinc/93/30/40/781933040.db2.gz KKTSLERVEOTKNF-VXGBXAGGSA-N 1 1 306.359 -2.180 20 0 DAADMO O=C(N1CCNCC1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000530224506 545718400 /nfs/dbraw/zinc/71/84/00/545718400.db2.gz SHIBXCSQSQQMSU-UHFFFAOYSA-N 1 1 310.446 -1.466 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191989249 781934136 /nfs/dbraw/zinc/93/41/36/781934136.db2.gz ZUMGJFXZIQWMML-KXUCPTDWSA-N 1 1 300.359 -1.933 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191989249 781934145 /nfs/dbraw/zinc/93/41/45/781934145.db2.gz ZUMGJFXZIQWMML-KXUCPTDWSA-N 1 1 300.359 -1.933 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191996602 781935344 /nfs/dbraw/zinc/93/53/44/781935344.db2.gz BYADAQYXJOPFJT-NSHDSACASA-N 1 1 310.354 -1.075 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999484 781935700 /nfs/dbraw/zinc/93/57/00/781935700.db2.gz VUENEOPGSUMRDF-MRVPVSSYSA-N 1 1 322.325 -1.889 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001191999484 781935710 /nfs/dbraw/zinc/93/57/10/781935710.db2.gz VUENEOPGSUMRDF-MRVPVSSYSA-N 1 1 322.325 -1.889 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192003533 781935820 /nfs/dbraw/zinc/93/58/20/781935820.db2.gz ZOJZHTZZGSZXHL-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001191960264 781935982 /nfs/dbraw/zinc/93/59/82/781935982.db2.gz NNFLOYGAEMQRAJ-HBNTYKKESA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001191960264 781935986 /nfs/dbraw/zinc/93/59/86/781935986.db2.gz NNFLOYGAEMQRAJ-HBNTYKKESA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001191960263 781936032 /nfs/dbraw/zinc/93/60/32/781936032.db2.gz NNFLOYGAEMQRAJ-GMTAPVOTSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001191960263 781936043 /nfs/dbraw/zinc/93/60/43/781936043.db2.gz NNFLOYGAEMQRAJ-GMTAPVOTSA-N 1 1 313.358 -2.094 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N(C)C)C1 ZINC000357999483 545738597 /nfs/dbraw/zinc/73/85/97/545738597.db2.gz GRBPKHCAGCLNNF-NSHDSACASA-N 1 1 322.431 -1.102 20 0 DAADMO CCN1CCN(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C(=O)C1=O ZINC000358052159 545739557 /nfs/dbraw/zinc/73/95/57/545739557.db2.gz DPGIIXYLYLRHJD-CQSZACIVSA-N 1 1 312.370 -2.140 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358061836 545739631 /nfs/dbraw/zinc/73/96/31/545739631.db2.gz WOODNIDCILRRLQ-LBPRGKRZSA-N 1 1 323.415 -1.875 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000357977485 545739693 /nfs/dbraw/zinc/73/96/93/545739693.db2.gz CLJFMMQKMHLXRW-PWSUYJOCSA-N 1 1 310.354 -1.084 20 0 DAADMO Cn1nnnc1SCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358045999 545739978 /nfs/dbraw/zinc/73/99/78/545739978.db2.gz JWEAMYZDERESFH-NSHDSACASA-N 1 1 300.388 -1.125 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CO)C1)C[NH+]1CCOCC1 ZINC000357984990 545740384 /nfs/dbraw/zinc/74/03/84/545740384.db2.gz BILYZQKFWFMJKE-CHWSQXEVSA-N 1 1 313.398 -1.088 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001192013005 781937386 /nfs/dbraw/zinc/93/73/86/781937386.db2.gz JCJYZJLPEDLCFL-MGPQQGTHSA-N 1 1 315.414 -1.097 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001192013179 781938127 /nfs/dbraw/zinc/93/81/27/781938127.db2.gz LLKOKQBNERTGOR-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001192014122 781938730 /nfs/dbraw/zinc/93/87/30/781938730.db2.gz PXFUXVWBBHMZEU-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192038705 781940102 /nfs/dbraw/zinc/94/01/02/781940102.db2.gz RPAQKRIBLFMYCG-QWRGUYRKSA-N 1 1 300.359 -1.791 20 0 DAADMO CC(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038451 781940189 /nfs/dbraw/zinc/94/01/89/781940189.db2.gz QHQYOCHAWGBXSC-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO CC(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192038451 781940201 /nfs/dbraw/zinc/94/02/01/781940201.db2.gz QHQYOCHAWGBXSC-WDEREUQCSA-N 1 1 311.386 -1.275 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039338 781940741 /nfs/dbraw/zinc/94/07/41/781940741.db2.gz XJIOCNYATMVXDT-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192039338 781940749 /nfs/dbraw/zinc/94/07/49/781940749.db2.gz XJIOCNYATMVXDT-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039546 781941628 /nfs/dbraw/zinc/94/16/28/781941628.db2.gz ZHLXTSKGZYMWII-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039546 781941639 /nfs/dbraw/zinc/94/16/39/781941639.db2.gz ZHLXTSKGZYMWII-GHMZBOCLSA-N 1 1 311.386 -1.273 20 0 DAADMO C[N@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039337 781941873 /nfs/dbraw/zinc/94/18/73/781941873.db2.gz XJIOCNYATMVXDT-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192039337 781941883 /nfs/dbraw/zinc/94/18/83/781941883.db2.gz XJIOCNYATMVXDT-NWDGAFQWSA-N 1 1 323.397 -1.273 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072484 781942639 /nfs/dbraw/zinc/94/26/39/781942639.db2.gz FTALEULJHBDYMV-QWRGUYRKSA-N 1 1 303.359 -1.972 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192082471 781942483 /nfs/dbraw/zinc/94/24/83/781942483.db2.gz HRLNHHKFDDFILE-UWVGGRQHSA-N 1 1 320.415 -1.538 20 0 DAADMO C[C@H](C[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082374 781942911 /nfs/dbraw/zinc/94/29/11/781942911.db2.gz GLLPCSFEMIQORU-NXEZZACHSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@H](C[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082374 781942918 /nfs/dbraw/zinc/94/29/18/781942918.db2.gz GLLPCSFEMIQORU-NXEZZACHSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082377 781943481 /nfs/dbraw/zinc/94/34/81/781943481.db2.gz GLLPCSFEMIQORU-ZJUUUORDSA-N 1 1 305.400 -1.315 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001192082377 781943490 /nfs/dbraw/zinc/94/34/90/781943490.db2.gz GLLPCSFEMIQORU-ZJUUUORDSA-N 1 1 305.400 -1.315 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCOC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081898 781943507 /nfs/dbraw/zinc/94/35/07/781943507.db2.gz AJXUQLRZJQDOCA-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCOC1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192081898 781943509 /nfs/dbraw/zinc/94/35/09/781943509.db2.gz AJXUQLRZJQDOCA-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+](CC(=O)NCc1cccnc1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101586 781943557 /nfs/dbraw/zinc/94/35/57/781943557.db2.gz DEGQOBAYYCRCNQ-LBPRGKRZSA-N 1 1 319.365 -1.284 20 0 DAADMO C[N@@H+](CC(=O)NCc1cccnc1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101586 781943566 /nfs/dbraw/zinc/94/35/66/781943566.db2.gz DEGQOBAYYCRCNQ-LBPRGKRZSA-N 1 1 319.365 -1.284 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001192103560 781945161 /nfs/dbraw/zinc/94/51/61/781945161.db2.gz OUHNHPRQYLIPSZ-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102244 781945277 /nfs/dbraw/zinc/94/52/77/781945277.db2.gz PHAJSHCJLTXPNG-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102252 781945843 /nfs/dbraw/zinc/94/58/43/781945843.db2.gz PLNGEGURENWCEC-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192102252 781945852 /nfs/dbraw/zinc/94/58/52/781945852.db2.gz PLNGEGURENWCEC-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101920 781946511 /nfs/dbraw/zinc/94/65/11/781946511.db2.gz KQZAAOHULQFEOI-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192101920 781946518 /nfs/dbraw/zinc/94/65/18/781946518.db2.gz KQZAAOHULQFEOI-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001192109279 781946640 /nfs/dbraw/zinc/94/66/40/781946640.db2.gz AOYSTCOGPRPMQV-CHWSQXEVSA-N 1 1 312.370 -1.569 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n[nH]1 ZINC001192109279 781946655 /nfs/dbraw/zinc/94/66/55/781946655.db2.gz AOYSTCOGPRPMQV-CHWSQXEVSA-N 1 1 312.370 -1.569 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n[nH]1 ZINC001192109279 781946661 /nfs/dbraw/zinc/94/66/61/781946661.db2.gz AOYSTCOGPRPMQV-CHWSQXEVSA-N 1 1 312.370 -1.569 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001192206886 781948211 /nfs/dbraw/zinc/94/82/11/781948211.db2.gz RTUQMPLOMYJXTH-SSDOTTSWSA-N 1 1 312.305 -1.110 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001192206886 781948216 /nfs/dbraw/zinc/94/82/16/781948216.db2.gz RTUQMPLOMYJXTH-SSDOTTSWSA-N 1 1 312.305 -1.110 20 0 DAADMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192206169 781948356 /nfs/dbraw/zinc/94/83/56/781948356.db2.gz PNRRQBBCTYVBIM-QJPTWQEYSA-N 1 1 316.354 -1.890 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001192164399 781948944 /nfs/dbraw/zinc/94/89/44/781948944.db2.gz NZPNJJCJQPYHBY-VXGBXAGGSA-N 1 1 311.338 -1.429 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000375726217 545753762 /nfs/dbraw/zinc/75/37/62/545753762.db2.gz HFXBSJNYZBJWDG-CYBMUJFWSA-N 1 1 301.343 -1.634 20 0 DAADMO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000375726217 545753766 /nfs/dbraw/zinc/75/37/66/545753766.db2.gz HFXBSJNYZBJWDG-CYBMUJFWSA-N 1 1 301.343 -1.634 20 0 DAADMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192151614 781949155 /nfs/dbraw/zinc/94/91/55/781949155.db2.gz AHYAWHLUYUSWKJ-KBPBESRZSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC001192151614 781949164 /nfs/dbraw/zinc/94/91/64/781949164.db2.gz AHYAWHLUYUSWKJ-KBPBESRZSA-N 1 1 323.397 -1.018 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001192151614 781949176 /nfs/dbraw/zinc/94/91/76/781949176.db2.gz AHYAWHLUYUSWKJ-KBPBESRZSA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001192095096 781949685 /nfs/dbraw/zinc/94/96/85/781949685.db2.gz ZMBBDTMEGXHMSS-WDEREUQCSA-N 1 1 307.416 -1.031 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCn2cc(C(=O)OC)nn2)C1 ZINC000375981927 545753995 /nfs/dbraw/zinc/75/39/95/545753995.db2.gz ZIIBCFKIGYNTST-LLVKDONJSA-N 1 1 311.342 -1.098 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001192231062 781951257 /nfs/dbraw/zinc/95/12/57/781951257.db2.gz YZXVYCGKJAOAIH-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001192231062 781951265 /nfs/dbraw/zinc/95/12/65/781951265.db2.gz YZXVYCGKJAOAIH-CYZMBNFOSA-N 1 1 310.354 -1.433 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192271154 781952198 /nfs/dbraw/zinc/95/21/98/781952198.db2.gz PALCWZHAGHJGNE-FRRDWIJNSA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192271154 781952205 /nfs/dbraw/zinc/95/22/05/781952205.db2.gz PALCWZHAGHJGNE-FRRDWIJNSA-N 1 1 317.386 -2.513 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192271172 781952727 /nfs/dbraw/zinc/95/27/27/781952727.db2.gz POZAQKIMTFHFGK-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001192263048 781953269 /nfs/dbraw/zinc/95/32/69/781953269.db2.gz DLXLPNSXWFKXPS-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192263375 781953464 /nfs/dbraw/zinc/95/34/64/781953464.db2.gz SNXRAWCYSPNBBM-CHWSQXEVSA-N 1 1 317.386 -2.511 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192263375 781953468 /nfs/dbraw/zinc/95/34/68/781953468.db2.gz SNXRAWCYSPNBBM-CHWSQXEVSA-N 1 1 317.386 -2.511 20 0 DAADMO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192270653 781953565 /nfs/dbraw/zinc/95/35/65/781953565.db2.gz HBYCQXOUGWJSSB-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192270653 781953575 /nfs/dbraw/zinc/95/35/75/781953575.db2.gz HBYCQXOUGWJSSB-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001192270912 781953588 /nfs/dbraw/zinc/95/35/88/781953588.db2.gz LAEVNOANDKUYPX-MGPQQGTHSA-N 1 1 315.414 -1.097 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269272 781953736 /nfs/dbraw/zinc/95/37/36/781953736.db2.gz WSTWGWHFRWGIEN-NXEZZACHSA-N 1 1 316.358 -1.625 20 0 DAADMO COC[C@@H](OC)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192269272 781953744 /nfs/dbraw/zinc/95/37/44/781953744.db2.gz WSTWGWHFRWGIEN-NXEZZACHSA-N 1 1 316.358 -1.625 20 0 DAADMO CC[C@H](C)OCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192270654 781953867 /nfs/dbraw/zinc/95/38/67/781953867.db2.gz HBYCQXOUGWJSSB-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO CC[C@H](C)OCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192270654 781953879 /nfs/dbraw/zinc/95/38/79/781953879.db2.gz HBYCQXOUGWJSSB-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC(C)(C)C)C1 ZINC001192329426 781954387 /nfs/dbraw/zinc/95/43/87/781954387.db2.gz YVPIESSRZQTBGH-IJLUTSLNSA-N 1 1 304.387 -1.030 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192306728 781954418 /nfs/dbraw/zinc/95/44/18/781954418.db2.gz PGVHFVWNQQCEOQ-NFAWXSAZSA-N 1 1 323.397 -1.010 20 0 DAADMO C[C@](O)(CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1CC1 ZINC001192306728 781954428 /nfs/dbraw/zinc/95/44/28/781954428.db2.gz PGVHFVWNQQCEOQ-NFAWXSAZSA-N 1 1 323.397 -1.010 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001192328431 781954661 /nfs/dbraw/zinc/95/46/61/781954661.db2.gz GMMLAONVIUEORB-JMJZKYOTSA-N 1 1 313.358 -2.216 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320169 781955587 /nfs/dbraw/zinc/95/55/87/781955587.db2.gz BZUUSBXBYKEAAR-GHMZBOCLSA-N 1 1 313.358 -1.430 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192320759 781955732 /nfs/dbraw/zinc/95/57/32/781955732.db2.gz JXNBCTGTRQPTNX-HBNTYKKESA-N 1 1 313.358 -1.694 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192364266 781956809 /nfs/dbraw/zinc/95/68/09/781956809.db2.gz OGFMSPJCKYIWCE-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192364266 781956815 /nfs/dbraw/zinc/95/68/15/781956815.db2.gz OGFMSPJCKYIWCE-GHMZBOCLSA-N 1 1 310.358 -2.034 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001192363303 781957035 /nfs/dbraw/zinc/95/70/35/781957035.db2.gz IXPNDXHOQFVWMM-IJLUTSLNSA-N 1 1 301.387 -1.165 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377103 781957125 /nfs/dbraw/zinc/95/71/25/781957125.db2.gz HYYLRGAJIODICT-TUAOUCFPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377103 781957131 /nfs/dbraw/zinc/95/71/31/781957131.db2.gz HYYLRGAJIODICT-TUAOUCFPSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377525 781957393 /nfs/dbraw/zinc/95/73/93/781957393.db2.gz MLZFOHKHDRTCKC-HLTSFMKQSA-N 1 1 311.342 -2.165 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377525 781957398 /nfs/dbraw/zinc/95/73/98/781957398.db2.gz MLZFOHKHDRTCKC-HLTSFMKQSA-N 1 1 311.342 -2.165 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001192354349 781957895 /nfs/dbraw/zinc/95/78/95/781957895.db2.gz ZLPLDCAXIFDWMU-CHWSQXEVSA-N 1 1 323.397 -1.039 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001192429934 781959058 /nfs/dbraw/zinc/95/90/58/781959058.db2.gz UCZFHGDFTIUPNF-VXGBXAGGSA-N 1 1 322.365 -1.817 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(NCC2([NH+](C)C)CC2)n1 ZINC000419010551 545766092 /nfs/dbraw/zinc/76/60/92/545766092.db2.gz QHTPFAFNVIYAPV-UHFFFAOYSA-N 1 1 309.418 -1.132 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)S1(=O)=O ZINC000423586384 545771751 /nfs/dbraw/zinc/77/17/51/545771751.db2.gz BBHWXUXGRQZDLM-WDEREUQCSA-N 1 1 317.411 -1.158 20 0 DAADMO NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092818 193203479 /nfs/dbraw/zinc/20/34/79/193203479.db2.gz GYFMYQNHVDIQRT-TXEJJXNPSA-N 1 1 302.352 -1.250 20 0 DAADMO CCCOCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424040941 545775900 /nfs/dbraw/zinc/77/59/00/545775900.db2.gz MPNPBNLRFPZNTG-UHFFFAOYSA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)O1 ZINC000527549665 545776088 /nfs/dbraw/zinc/77/60/88/545776088.db2.gz MBEAXLUHUJAFCF-NFAWXSAZSA-N 1 1 315.414 -1.095 20 0 DAADMO C[C@H](CO)[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C[C@H](C)O ZINC000443334007 545778165 /nfs/dbraw/zinc/77/81/65/545778165.db2.gz LFQRLTDOAUGDHD-GRYCIOLGSA-N 1 1 301.387 -1.226 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341674 372764959 /nfs/dbraw/zinc/76/49/59/372764959.db2.gz QNZKGHDBOOWUQR-GHMZBOCLSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341674 372764967 /nfs/dbraw/zinc/76/49/67/372764967.db2.gz QNZKGHDBOOWUQR-GHMZBOCLSA-N 1 1 308.386 -1.122 20 0 DAADMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000600188996 372758938 /nfs/dbraw/zinc/75/89/38/372758938.db2.gz ADCSISDZRTVEBP-CQSZACIVSA-N 1 1 311.338 -1.152 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNS(=O)(=O)N(C)C ZINC000616340999 372763961 /nfs/dbraw/zinc/76/39/61/372763961.db2.gz KGYDIXRSQWCUGD-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341677 372764496 /nfs/dbraw/zinc/76/44/96/372764496.db2.gz QNZKGHDBOOWUQR-WDEREUQCSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1nc2n(n1)CCCN2 ZINC000616341677 372764504 /nfs/dbraw/zinc/76/45/04/372764504.db2.gz QNZKGHDBOOWUQR-WDEREUQCSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000186886427 372766461 /nfs/dbraw/zinc/76/64/61/372766461.db2.gz OVPGSVMCYVELNY-NSHDSACASA-N 1 1 311.386 -1.115 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC000041967285 372773937 /nfs/dbraw/zinc/77/39/37/372773937.db2.gz KLHXTRCPSKMPHY-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624774137 372774867 /nfs/dbraw/zinc/77/48/67/372774867.db2.gz LTJYQLBJYUGIFW-ZETCQYMHSA-N 1 1 301.376 -1.538 20 0 DAADMO C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000632128827 372778938 /nfs/dbraw/zinc/77/89/38/372778938.db2.gz AABMXUOWOMAKOI-GFCCVEGCSA-N 1 1 302.444 -1.000 20 0 DAADMO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000642718571 372787449 /nfs/dbraw/zinc/78/74/49/372787449.db2.gz ZWKRJOBCNVPWIS-IXOXFDKPSA-N 1 1 310.398 -1.624 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@]1(C)CO ZINC000558217091 372820969 /nfs/dbraw/zinc/82/09/69/372820969.db2.gz LRVNEJSDCMOLKR-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616549421 372800718 /nfs/dbraw/zinc/80/07/18/372800718.db2.gz CAXWZVAXDWMJGT-GXSJLCMTSA-N 1 1 305.400 -1.408 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616549421 372800725 /nfs/dbraw/zinc/80/07/25/372800725.db2.gz CAXWZVAXDWMJGT-GXSJLCMTSA-N 1 1 305.400 -1.408 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616703064 372805869 /nfs/dbraw/zinc/80/58/69/372805869.db2.gz OCUGKHFUWUEIHF-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2ncn(C)c2=O)[C@@H](C)C1 ZINC000556745052 372806026 /nfs/dbraw/zinc/80/60/26/372806026.db2.gz XARYNKHGELPEGB-NWDGAFQWSA-N 1 1 311.386 -1.115 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000556685465 372806310 /nfs/dbraw/zinc/80/63/10/372806310.db2.gz WMBQCUPJEICWDE-LLVKDONJSA-N 1 1 322.369 -1.141 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000556685465 372806317 /nfs/dbraw/zinc/80/63/17/372806317.db2.gz WMBQCUPJEICWDE-LLVKDONJSA-N 1 1 322.369 -1.141 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623844507 372808299 /nfs/dbraw/zinc/80/82/99/372808299.db2.gz ZFFDRQZMPWEDBB-UHFFFAOYSA-N 1 1 302.364 -2.375 20 0 DAADMO C[C@H](O)CN1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000557241991 372810920 /nfs/dbraw/zinc/81/09/20/372810920.db2.gz TVYGPABVITXYCT-MELADBBJSA-N 1 1 313.446 -1.014 20 0 DAADMO C[C@@H]1CN(c2nc(N)nc(N)[nH+]2)C[C@H]1C(=O)N1CCOCC1 ZINC000624375741 372817208 /nfs/dbraw/zinc/81/72/08/372817208.db2.gz YIBCBKONLCHGQW-RKDXNWHRSA-N 1 1 307.358 -1.372 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000625733425 372831538 /nfs/dbraw/zinc/83/15/38/372831538.db2.gz DWWSQGIFCKBQPK-CHWSQXEVSA-N 1 1 318.418 -1.445 20 0 DAADMO CNC(=O)NC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000625733427 372832137 /nfs/dbraw/zinc/83/21/37/372832137.db2.gz DWWSQGIFCKBQPK-QWHCGFSZSA-N 1 1 318.418 -1.445 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781057 372842724 /nfs/dbraw/zinc/84/27/24/372842724.db2.gz IRULCIQNVXFPIU-BBBLOLIVSA-N 1 1 322.365 -1.184 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781057 372842727 /nfs/dbraw/zinc/84/27/27/372842727.db2.gz IRULCIQNVXFPIU-BBBLOLIVSA-N 1 1 322.365 -1.184 20 0 DAADMO CN(C)S(=O)(=O)N1CC(NC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000623716645 372847796 /nfs/dbraw/zinc/84/77/96/372847796.db2.gz VHUOQFJBJSOKQT-NSHDSACASA-N 1 1 319.431 -1.130 20 0 DAADMO CN(CCCNC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1)S(C)(=O)=O ZINC000375314655 372854493 /nfs/dbraw/zinc/85/44/93/372854493.db2.gz ODCDZIDUTGBGIK-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO CN(CCCNC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1)S(C)(=O)=O ZINC000375314655 372854502 /nfs/dbraw/zinc/85/45/02/372854502.db2.gz ODCDZIDUTGBGIK-LLVKDONJSA-N 1 1 319.427 -1.159 20 0 DAADMO NC(=O)c1cccnc1N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000262675484 372867504 /nfs/dbraw/zinc/86/75/04/372867504.db2.gz RRBFVDIKJYWSGR-LBPRGKRZSA-N 1 1 319.365 -1.183 20 0 DAADMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000155579755 372872259 /nfs/dbraw/zinc/87/22/59/372872259.db2.gz OXOBYTNERSZQBQ-UHFFFAOYSA-N 1 1 318.399 -1.298 20 0 DAADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@H](O)C1)c(=O)n2C ZINC000114723442 372857727 /nfs/dbraw/zinc/85/77/27/372857727.db2.gz JXUXTVSTQBJNIQ-SNVBAGLBSA-N 1 1 307.354 -1.110 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626044746 372859599 /nfs/dbraw/zinc/85/95/99/372859599.db2.gz RYZAUCBJGCCDMO-BBBLOLIVSA-N 1 1 324.381 -1.060 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000117292707 372860843 /nfs/dbraw/zinc/86/08/43/372860843.db2.gz NPCSTTFICGBSFK-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO COCC[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC000117292707 372860851 /nfs/dbraw/zinc/86/08/51/372860851.db2.gz NPCSTTFICGBSFK-LBPRGKRZSA-N 1 1 324.381 -1.274 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358814681 372860988 /nfs/dbraw/zinc/86/09/88/372860988.db2.gz HLVJIHZOFBGWRW-VIFPVBQESA-N 1 1 303.384 -1.089 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358814681 372860993 /nfs/dbraw/zinc/86/09/93/372860993.db2.gz HLVJIHZOFBGWRW-VIFPVBQESA-N 1 1 303.384 -1.089 20 0 DAADMO C[N@@H+](C[C@@H](O)CN1CCOC[C@H]1CNS(C)(=O)=O)C1CC1 ZINC000626097710 372861868 /nfs/dbraw/zinc/86/18/68/372861868.db2.gz XSRBXSWMPNMVHP-CHWSQXEVSA-N 1 1 321.443 -1.309 20 0 DAADMO CS(=O)(=O)NC[C@H]1COCCN1CCC[NH+]1CCOCC1 ZINC000626094630 372862218 /nfs/dbraw/zinc/86/22/18/372862218.db2.gz DXEFDLQRCVANOZ-ZDUSSCGKSA-N 1 1 321.443 -1.041 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630692 372888026 /nfs/dbraw/zinc/88/80/26/372888026.db2.gz WAALXSHHWSUFNY-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622630571 372888088 /nfs/dbraw/zinc/88/80/88/372888088.db2.gz SUTNIATWHBJIFR-LBPRGKRZSA-N 1 1 319.427 -1.015 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000363567407 372891080 /nfs/dbraw/zinc/89/10/80/372891080.db2.gz ZKROELDWESBOQP-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000363567407 372891089 /nfs/dbraw/zinc/89/10/89/372891089.db2.gz ZKROELDWESBOQP-NSHDSACASA-N 1 1 305.400 -1.189 20 0 DAADMO NC(=O)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000635474579 372881744 /nfs/dbraw/zinc/88/17/44/372881744.db2.gz WSQUEYBARNHKLD-UHFFFAOYSA-N 1 1 304.350 -1.068 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000562442325 372882440 /nfs/dbraw/zinc/88/24/40/372882440.db2.gz OMDLRCQUOKVSEI-CHWSQXEVSA-N 1 1 303.403 -1.550 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)C[N@H+]1C1CC1 ZINC000562667598 372882556 /nfs/dbraw/zinc/88/25/56/372882556.db2.gz SGUQVKLXGZGMGQ-WDEREUQCSA-N 1 1 323.397 -1.049 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000635549826 372885871 /nfs/dbraw/zinc/88/58/71/372885871.db2.gz QOAUKTLYBPJLSF-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630833 372887025 /nfs/dbraw/zinc/88/70/25/372887025.db2.gz ZXOOEPNNEBTBPF-NSHDSACASA-N 1 1 307.416 -1.111 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC000622631669 372887363 /nfs/dbraw/zinc/88/73/63/372887363.db2.gz SEXRGBZOHAMASZ-GFCCVEGCSA-N 1 1 324.381 -1.490 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622631160 372887714 /nfs/dbraw/zinc/88/77/14/372887714.db2.gz HVLJEABYOJREFC-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)c1=O ZINC000622630564 372887741 /nfs/dbraw/zinc/88/77/41/372887741.db2.gz SRNUCOOUGUVYQV-GFCCVEGCSA-N 1 1 324.381 -1.490 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000572981919 372903423 /nfs/dbraw/zinc/90/34/23/372903423.db2.gz FLOVKWVNDPRXLI-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000152450239 372909533 /nfs/dbraw/zinc/90/95/33/372909533.db2.gz YYLKFSFGBKXYDK-UHFFFAOYSA-N 1 1 312.370 -1.369 20 0 DAADMO CS(=O)(=O)NC1CN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000636447675 372924753 /nfs/dbraw/zinc/92/47/53/372924753.db2.gz GLUQTLXMXXAKOW-UHFFFAOYSA-N 1 1 320.415 -1.348 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000570763530 372916098 /nfs/dbraw/zinc/91/60/98/372916098.db2.gz SKWVPLINRCZGOG-VXGBXAGGSA-N 1 1 314.386 -2.432 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000332770918 372922027 /nfs/dbraw/zinc/92/20/27/372922027.db2.gz RCUOPLNXDBUWIV-GXTWGEPZSA-N 1 1 301.387 -1.484 20 0 DAADMO CC(C)OCC[NH+]1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000169274356 372929992 /nfs/dbraw/zinc/92/99/92/372929992.db2.gz POHAMNHUPRLCIQ-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](CO)C1 ZINC000174708549 372931986 /nfs/dbraw/zinc/93/19/86/372931986.db2.gz PWJWLTRELZMIMR-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](CO)C1 ZINC000174708549 372931997 /nfs/dbraw/zinc/93/19/97/372931997.db2.gz PWJWLTRELZMIMR-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000174352917 372932201 /nfs/dbraw/zinc/93/22/01/372932201.db2.gz RTNSRNXHEBABTH-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO Cn1c2ncn(CC[N@@H+](CCO)C3CC3)c2c(=O)n(C)c1=O ZINC000182037863 372934917 /nfs/dbraw/zinc/93/49/17/372934917.db2.gz KIJHMRWMYGROHG-UHFFFAOYSA-N 1 1 307.354 -1.110 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2COCC[C@H]2O)CC1 ZINC000636550241 372944592 /nfs/dbraw/zinc/94/45/92/372944592.db2.gz OFUZLHGMMSJOHX-VXGBXAGGSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[N@@H+]1CCO ZINC000364449582 372947400 /nfs/dbraw/zinc/94/74/00/372947400.db2.gz RURYRPAENZUSQO-NSHDSACASA-N 1 1 312.370 -1.518 20 0 DAADMO C[C@H]1CN(C(=O)C2=NN(CCO)C(=O)CC2)CC[N@H+]1CCO ZINC000364449582 372947409 /nfs/dbraw/zinc/94/74/09/372947409.db2.gz RURYRPAENZUSQO-NSHDSACASA-N 1 1 312.370 -1.518 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592197269 372966062 /nfs/dbraw/zinc/96/60/62/372966062.db2.gz OZMQLKSNKSNXHX-IVZWLZJFSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592197269 372966075 /nfs/dbraw/zinc/96/60/75/372966075.db2.gz OZMQLKSNKSNXHX-IVZWLZJFSA-N 1 1 302.327 -1.480 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592206410 372967190 /nfs/dbraw/zinc/96/71/90/372967190.db2.gz FVSKBTGAHDPCFK-ZJUUUORDSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592206410 372967200 /nfs/dbraw/zinc/96/72/00/372967200.db2.gz FVSKBTGAHDPCFK-ZJUUUORDSA-N 1 1 302.327 -1.479 20 0 DAADMO COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000592184474 372968840 /nfs/dbraw/zinc/96/88/40/372968840.db2.gz MAGAFOJVZHSVBI-UWVGGRQHSA-N 1 1 323.353 -1.160 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000592388956 372969231 /nfs/dbraw/zinc/96/92/31/372969231.db2.gz QUEGOKQDUQIEKJ-VIFPVBQESA-N 1 1 302.356 -1.054 20 0 DAADMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000592387948 372969809 /nfs/dbraw/zinc/96/98/09/372969809.db2.gz CXMXJBCQPKKKIM-ZJUUUORDSA-N 1 1 321.399 -1.370 20 0 DAADMO COC(=O)[C@@H]1CNCCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000592557236 372974077 /nfs/dbraw/zinc/97/40/77/372974077.db2.gz XBSPETJZXWNSBB-MNOVXSKESA-N 1 1 312.370 -1.782 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000593069416 372980440 /nfs/dbraw/zinc/98/04/40/372980440.db2.gz RSGKJBSMSGZSCP-HBNTYKKESA-N 1 1 303.359 -1.071 20 0 DAADMO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000593069416 372980446 /nfs/dbraw/zinc/98/04/46/372980446.db2.gz RSGKJBSMSGZSCP-HBNTYKKESA-N 1 1 303.359 -1.071 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](CO)[C@H](O)C2)C1=O ZINC000595453787 373001673 /nfs/dbraw/zinc/00/16/73/373001673.db2.gz HAMDNGWMNJCBIG-SDDRHHMPSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](CO)[C@@H](O)C2)C1=O ZINC000595453789 373001753 /nfs/dbraw/zinc/00/17/53/373001753.db2.gz HAMDNGWMNJCBIG-WOPDTQHZSA-N 1 1 300.355 -1.175 20 0 DAADMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC000595661501 373002078 /nfs/dbraw/zinc/00/20/78/373002078.db2.gz HQHLXHAXRFIZHF-JOYOIKCWSA-N 1 1 315.370 -1.063 20 0 DAADMO COC(=O)CCN1CCC[C@@H]([N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC000595523152 373002145 /nfs/dbraw/zinc/00/21/45/373002145.db2.gz ITOXTWWGSHNDBI-OUAUKWLOSA-N 1 1 323.349 -1.255 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC(CO)(CO)C1)C(C)C ZINC000595805092 373003801 /nfs/dbraw/zinc/00/38/01/373003801.db2.gz DMVNEMMLKGZKRU-LBPRGKRZSA-N 1 1 302.371 -1.023 20 0 DAADMO COC(=O)[C@@H](NC(=O)C[N@H+]1CCC(CO)(CO)C1)C(C)C ZINC000595805092 373003811 /nfs/dbraw/zinc/00/38/11/373003811.db2.gz DMVNEMMLKGZKRU-LBPRGKRZSA-N 1 1 302.371 -1.023 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595957234 373005758 /nfs/dbraw/zinc/00/57/58/373005758.db2.gz RPKNRIDKADICMO-CMPLNLGQSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595957234 373005768 /nfs/dbraw/zinc/00/57/68/373005768.db2.gz RPKNRIDKADICMO-CMPLNLGQSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000595946721 373006315 /nfs/dbraw/zinc/00/63/15/373006315.db2.gz XMQIQBPPZNHMFI-QWRGUYRKSA-N 1 1 314.386 -1.420 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595957235 373006324 /nfs/dbraw/zinc/00/63/24/373006324.db2.gz RPKNRIDKADICMO-JQWIXIFHSA-N 1 1 315.370 -1.027 20 0 DAADMO CCOC(=O)[C@@H](N)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595957235 373006333 /nfs/dbraw/zinc/00/63/33/373006333.db2.gz RPKNRIDKADICMO-JQWIXIFHSA-N 1 1 315.370 -1.027 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](C)C1 ZINC000593743929 372984693 /nfs/dbraw/zinc/98/46/93/372984693.db2.gz NZQBHXKPSWPJMW-ZJUUUORDSA-N 1 1 319.383 -1.759 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@@H+](C)C1 ZINC000593743927 372984759 /nfs/dbraw/zinc/98/47/59/372984759.db2.gz NZQBHXKPSWPJMW-UWVGGRQHSA-N 1 1 319.383 -1.759 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CCCNC1=O ZINC000593892437 372986853 /nfs/dbraw/zinc/98/68/53/372986853.db2.gz QSNASUKCMQJUMN-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988451 /nfs/dbraw/zinc/98/84/51/372988451.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988461 /nfs/dbraw/zinc/98/84/61/372988461.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 1 1 304.387 -1.219 20 0 DAADMO COCCN(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016457 372988469 /nfs/dbraw/zinc/98/84/69/372988469.db2.gz XMKYRKYXQPJPAL-XQQFMLRXSA-N 1 1 304.387 -1.219 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000597972370 373030105 /nfs/dbraw/zinc/03/01/05/373030105.db2.gz KUFAEWRLQOWHBT-LLVKDONJSA-N 1 1 304.372 -1.448 20 0 DAADMO CCS(=O)(=O)NCC[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000597972370 373030113 /nfs/dbraw/zinc/03/01/13/373030113.db2.gz KUFAEWRLQOWHBT-LLVKDONJSA-N 1 1 304.372 -1.448 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000598791556 373031023 /nfs/dbraw/zinc/03/10/23/373031023.db2.gz BAYONWBABQVUMW-VIFPVBQESA-N 1 1 307.372 -1.901 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000598791556 373031027 /nfs/dbraw/zinc/03/10/27/373031027.db2.gz BAYONWBABQVUMW-VIFPVBQESA-N 1 1 307.372 -1.901 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC[N@@H+](C)C1 ZINC000598791757 373032848 /nfs/dbraw/zinc/03/28/48/373032848.db2.gz LHHNMSAYZGBRGE-JTQLQIEISA-N 1 1 321.399 -1.511 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000598793332 373033050 /nfs/dbraw/zinc/03/30/50/373033050.db2.gz SCVRZBDAQCYKKK-JTQLQIEISA-N 1 1 300.359 -1.131 20 0 DAADMO COC(=O)[C@H](CC(C)C)NC(=O)CNc1nc(N)nc(N)[nH+]1 ZINC000599062681 373034767 /nfs/dbraw/zinc/03/47/67/373034767.db2.gz QKIAMZUYHGHTIN-ZETCQYMHSA-N 1 1 311.346 -1.766 20 0 DAADMO COC(=O)Cn1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cn1 ZINC000599105942 373034866 /nfs/dbraw/zinc/03/48/66/373034866.db2.gz HBAOPFSJICPHSK-VIFPVBQESA-N 1 1 318.355 -1.677 20 0 DAADMO COC(=O)COCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000597219709 373016238 /nfs/dbraw/zinc/01/62/38/373016238.db2.gz AGYWWWJDWUIVFW-UHFFFAOYSA-N 1 1 301.343 -1.544 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)CCO1 ZINC000599539741 373047991 /nfs/dbraw/zinc/04/79/91/373047991.db2.gz MIBIVGBYIAWWHE-SECBINFHSA-N 1 1 301.347 -1.409 20 0 DAADMO CNC(=O)NC[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCO1 ZINC000599539741 373048001 /nfs/dbraw/zinc/04/80/01/373048001.db2.gz MIBIVGBYIAWWHE-SECBINFHSA-N 1 1 301.347 -1.409 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563178 373048239 /nfs/dbraw/zinc/04/82/39/373048239.db2.gz ALCVXVVNPMRACQ-ZANVPECISA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563178 373048246 /nfs/dbraw/zinc/04/82/46/373048246.db2.gz ALCVXVVNPMRACQ-ZANVPECISA-N 1 1 302.327 -1.072 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622678 373048268 /nfs/dbraw/zinc/04/82/68/373048268.db2.gz HOKZCSZMALJZCC-LEWSCRJBSA-N 1 1 302.371 -1.023 20 0 DAADMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622678 373048275 /nfs/dbraw/zinc/04/82/75/373048275.db2.gz HOKZCSZMALJZCC-LEWSCRJBSA-N 1 1 302.371 -1.023 20 0 DAADMO CNC(=O)NC[C@H]1C[N@H+](CCCC(=O)NC(N)=O)CCO1 ZINC000599539742 373048644 /nfs/dbraw/zinc/04/86/44/373048644.db2.gz MIBIVGBYIAWWHE-VIFPVBQESA-N 1 1 301.347 -1.409 20 0 DAADMO CNC(=O)NC[C@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCO1 ZINC000599539742 373048649 /nfs/dbraw/zinc/04/86/49/373048649.db2.gz MIBIVGBYIAWWHE-VIFPVBQESA-N 1 1 301.347 -1.409 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000599692564 373050964 /nfs/dbraw/zinc/05/09/64/373050964.db2.gz JZMOOGAIQSHOSD-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000599692564 373050972 /nfs/dbraw/zinc/05/09/72/373050972.db2.gz JZMOOGAIQSHOSD-BDAKNGLRSA-N 1 1 306.388 -1.169 20 0 DAADMO COC(=O)c1cnn(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000600083869 373054739 /nfs/dbraw/zinc/05/47/39/373054739.db2.gz LSTKNPXVWNUQLY-GFCCVEGCSA-N 1 1 308.338 -1.053 20 0 DAADMO COC(=O)c1cnn(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000600083869 373054757 /nfs/dbraw/zinc/05/47/57/373054757.db2.gz LSTKNPXVWNUQLY-GFCCVEGCSA-N 1 1 308.338 -1.053 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000636848608 373068788 /nfs/dbraw/zinc/06/87/88/373068788.db2.gz YMHNSXMUAKFRKU-UHFFFAOYSA-N 1 1 322.431 -1.102 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[N@H+](C)C1 ZINC000600011311 373055984 /nfs/dbraw/zinc/05/59/84/373055984.db2.gz HIQWLHYLFCLQDK-MXWKQRLJSA-N 1 1 313.354 -1.418 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[N@@H+](C)C1 ZINC000600011311 373055990 /nfs/dbraw/zinc/05/59/90/373055990.db2.gz HIQWLHYLFCLQDK-MXWKQRLJSA-N 1 1 313.354 -1.418 20 0 DAADMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000354841956 373057575 /nfs/dbraw/zinc/05/75/75/373057575.db2.gz ACNNXPAPSNPNEE-OCCSQVGLSA-N 1 1 304.387 -1.075 20 0 DAADMO COC(=O)COCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602194697 373060483 /nfs/dbraw/zinc/06/04/83/373060483.db2.gz LZHLHUMTFFEWFF-UHFFFAOYSA-N 1 1 301.343 -1.592 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000624168247 373060865 /nfs/dbraw/zinc/06/08/65/373060865.db2.gz CYQKVTKZWIWFCM-QMMMGPOBSA-N 1 1 313.387 -1.299 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CN1CC(=O)N(C)C1=O ZINC000627777121 373060905 /nfs/dbraw/zinc/06/09/05/373060905.db2.gz QAPSUFCNEGMIJJ-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO COC(=O)COCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000602361192 373064479 /nfs/dbraw/zinc/06/44/79/373064479.db2.gz SIFQPWJANNSYIK-WDEREUQCSA-N 1 1 301.343 -1.364 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000602989379 373066067 /nfs/dbraw/zinc/06/60/67/373066067.db2.gz NGPYPZAYBAJMEZ-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO CCOC(=O)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000599391915 373043411 /nfs/dbraw/zinc/04/34/11/373043411.db2.gz MTIXFHXWNCKKNG-LLVKDONJSA-N 1 1 323.415 -1.181 20 0 DAADMO CCOC(=O)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000599391916 373043461 /nfs/dbraw/zinc/04/34/61/373043461.db2.gz MTIXFHXWNCKKNG-NSHDSACASA-N 1 1 323.415 -1.181 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000599531561 373044608 /nfs/dbraw/zinc/04/46/08/373044608.db2.gz COXIRCBUDIKBIJ-USWWRNFRSA-N 1 1 300.355 -1.176 20 0 DAADMO CCN(C(=O)C(=O)NC[C@H]1COCCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000637102642 373076376 /nfs/dbraw/zinc/07/63/76/373076376.db2.gz HVMTXCNVBVRSGB-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000604720104 373076661 /nfs/dbraw/zinc/07/66/61/373076661.db2.gz GDRVWGCAOZZCFO-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC000604720104 373076669 /nfs/dbraw/zinc/07/66/69/373076669.db2.gz GDRVWGCAOZZCFO-LBPRGKRZSA-N 1 1 319.427 -1.446 20 0 DAADMO CCN(C(=O)C(=O)NC[C@@H]1COCCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000637102408 373077095 /nfs/dbraw/zinc/07/70/95/373077095.db2.gz HVMTXCNVBVRSGB-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000604725007 373078114 /nfs/dbraw/zinc/07/81/14/373078114.db2.gz TTZXXIMHSVRIFI-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000604725007 373078124 /nfs/dbraw/zinc/07/81/24/373078124.db2.gz TTZXXIMHSVRIFI-LLVKDONJSA-N 1 1 310.354 -1.616 20 0 DAADMO O=C(N[C@@H]1CO[C@H](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637131449 373081598 /nfs/dbraw/zinc/08/15/98/373081598.db2.gz XMPLHODRWVQVTD-FQUUOJAGSA-N 1 1 323.393 -1.053 20 0 DAADMO C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000637127281 373081860 /nfs/dbraw/zinc/08/18/60/373081860.db2.gz FMLKZWNPTOKQLI-GHMZBOCLSA-N 1 1 322.431 -1.104 20 0 DAADMO C[C@@H](NC(=O)NCCS(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000637127281 373081865 /nfs/dbraw/zinc/08/18/65/373081865.db2.gz FMLKZWNPTOKQLI-GHMZBOCLSA-N 1 1 322.431 -1.104 20 0 DAADMO O=C(N[C@H]1CO[C@H](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637131451 373083118 /nfs/dbraw/zinc/08/31/18/373083118.db2.gz XMPLHODRWVQVTD-RQJABVFESA-N 1 1 323.393 -1.053 20 0 DAADMO CNS(=O)(=O)CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336815337 373091640 /nfs/dbraw/zinc/09/16/40/373091640.db2.gz HPNHVMARXUECSB-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO C[C@@H]1[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCS1(=O)=O ZINC000637451210 373099705 /nfs/dbraw/zinc/09/97/05/373099705.db2.gz LYAPXFCWLBLSGE-ZNSHCXBVSA-N 1 1 305.400 -1.122 20 0 DAADMO Cn1cc(OCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000337470887 373100687 /nfs/dbraw/zinc/10/06/87/373100687.db2.gz VKOJYUVOXJDEDI-AWEZNQCLSA-N 1 1 312.370 -1.002 20 0 DAADMO Cn1cc(OCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000337470888 373101832 /nfs/dbraw/zinc/10/18/32/373101832.db2.gz VKOJYUVOXJDEDI-CQSZACIVSA-N 1 1 312.370 -1.002 20 0 DAADMO COC[C@@H](O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000338631593 373118357 /nfs/dbraw/zinc/11/83/57/373118357.db2.gz CXVVCDZUDJMBPT-NSHDSACASA-N 1 1 302.375 -1.543 20 0 DAADMO CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000637532276 373113522 /nfs/dbraw/zinc/11/35/22/373113522.db2.gz AURFHFYLWGCUMH-NSHDSACASA-N 1 1 319.431 -1.128 20 0 DAADMO CC[NH+]1CCN(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000637541640 373115959 /nfs/dbraw/zinc/11/59/59/373115959.db2.gz LQFRDHJFHZIIHA-UHFFFAOYSA-N 1 1 319.431 -1.176 20 0 DAADMO C[C@@H](CNC(=O)N[C@@H]1COC[C@@H]1O)CN1CC[NH+](C)CC1 ZINC000636844563 373069717 /nfs/dbraw/zinc/06/97/17/373069717.db2.gz BSAHYCBYIHMIEX-XQQFMLRXSA-N 1 1 300.403 -1.071 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000051649905 373069806 /nfs/dbraw/zinc/06/98/06/373069806.db2.gz LZVYAMXXSAVRAC-LBPRGKRZSA-N 1 1 317.415 -1.332 20 0 DAADMO C[C@@H](NC(=O)N(CCO)CCOCCO)[C@H]1C[N@H+](C)CCO1 ZINC000636949588 373072544 /nfs/dbraw/zinc/07/25/44/373072544.db2.gz INTBNRAXPFGDAO-CHWSQXEVSA-N 1 1 319.402 -1.282 20 0 DAADMO C[C@@H](NC(=O)N(CCO)CCOCCO)[C@H]1C[N@@H+](C)CCO1 ZINC000636949588 373072558 /nfs/dbraw/zinc/07/25/58/373072558.db2.gz INTBNRAXPFGDAO-CHWSQXEVSA-N 1 1 319.402 -1.282 20 0 DAADMO CC[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000264325219 373161370 /nfs/dbraw/zinc/16/13/70/373161370.db2.gz AQQOBTXSCVXGHT-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO O=S(=O)([C@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376252 373162935 /nfs/dbraw/zinc/16/29/35/373162935.db2.gz IUZXKIDMUUDQRK-YNEHKIRRSA-N 1 1 320.411 -1.128 20 0 DAADMO O=S(=O)([C@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)C1)N1CCOCC1 ZINC000643376252 373162938 /nfs/dbraw/zinc/16/29/38/373162938.db2.gz IUZXKIDMUUDQRK-YNEHKIRRSA-N 1 1 320.411 -1.128 20 0 DAADMO COCCNc1nc(N(C)CCO)nc(N(C)CCO)[nH+]1 ZINC000269461750 373167364 /nfs/dbraw/zinc/16/73/64/373167364.db2.gz YDCRHMDXNXIFEZ-UHFFFAOYSA-N 1 1 300.363 -1.213 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339095258 373122120 /nfs/dbraw/zinc/12/21/20/373122120.db2.gz KOMBVYYMQDFTBZ-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000339095258 373122132 /nfs/dbraw/zinc/12/21/32/373122132.db2.gz KOMBVYYMQDFTBZ-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H](C)CO ZINC000339631351 373129042 /nfs/dbraw/zinc/12/90/42/373129042.db2.gz VOBZKSUSVLZAIM-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000563334802 373133382 /nfs/dbraw/zinc/13/33/82/373133382.db2.gz TVLIFIYWIVUXKG-NSHDSACASA-N 1 1 322.431 -1.343 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000563350593 373133662 /nfs/dbraw/zinc/13/36/62/373133662.db2.gz YUOLAOBJWHRTRE-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000563372986 373134165 /nfs/dbraw/zinc/13/41/65/373134165.db2.gz FBBXQYUQIIFCAC-ZDUSSCGKSA-N 1 1 312.414 -1.107 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627470754 373136517 /nfs/dbraw/zinc/13/65/17/373136517.db2.gz YTYPRLCQQXZCRS-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627470754 373136529 /nfs/dbraw/zinc/13/65/29/373136529.db2.gz YTYPRLCQQXZCRS-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627470754 373136537 /nfs/dbraw/zinc/13/65/37/373136537.db2.gz YTYPRLCQQXZCRS-WCQYABFASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCO ZINC000410936533 373137021 /nfs/dbraw/zinc/13/70/21/373137021.db2.gz IEIZPIVDRITCHW-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCO ZINC000410936533 373137027 /nfs/dbraw/zinc/13/70/27/373137027.db2.gz IEIZPIVDRITCHW-NSHDSACASA-N 1 1 301.387 -1.259 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627470752 373137397 /nfs/dbraw/zinc/13/73/97/373137397.db2.gz YTYPRLCQQXZCRS-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627470752 373137401 /nfs/dbraw/zinc/13/74/01/373137401.db2.gz YTYPRLCQQXZCRS-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C(=O)C(=O)NC[C@H]1COCCN1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000627470752 373137406 /nfs/dbraw/zinc/13/74/06/373137406.db2.gz YTYPRLCQQXZCRS-AAEUAGOBSA-N 1 1 310.398 -1.214 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000339860562 373138490 /nfs/dbraw/zinc/13/84/90/373138490.db2.gz UQKBRRWKXOEHTD-NSHDSACASA-N 1 1 302.375 -1.150 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CC(N)=O)C1 ZINC000051826826 373139276 /nfs/dbraw/zinc/13/92/76/373139276.db2.gz SFHOWITXNDQEKA-LBPRGKRZSA-N 1 1 300.403 -1.124 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249322423 373141114 /nfs/dbraw/zinc/14/11/14/373141114.db2.gz RPJAWHKTPAIEQE-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](CO)C1 ZINC000249322423 373141127 /nfs/dbraw/zinc/14/11/27/373141127.db2.gz RPJAWHKTPAIEQE-NXEZZACHSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CN1C1CC1 ZINC000571185372 373142234 /nfs/dbraw/zinc/14/22/34/373142234.db2.gz FHQFDAYWTIJONL-LFSVMHDDSA-N 1 1 310.398 -1.481 20 0 DAADMO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000263252179 373145008 /nfs/dbraw/zinc/14/50/08/373145008.db2.gz PJRLSNGTKOYHPH-OCCSQVGLSA-N 1 1 313.446 -1.162 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCNC(=O)[C@@H]1CC(=O)OC ZINC000571384864 373149554 /nfs/dbraw/zinc/14/95/54/373149554.db2.gz SWMQJBDEUFFERH-NEPJUHHUSA-N 1 1 317.386 -1.711 20 0 DAADMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N1CCNCC1=O ZINC000638136786 373210492 /nfs/dbraw/zinc/21/04/92/373210492.db2.gz MHWVFSMSJBZKKW-CYBMUJFWSA-N 1 1 311.430 -1.440 20 0 DAADMO C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)N1CCNCC1=O ZINC000638222678 373211215 /nfs/dbraw/zinc/21/12/15/373211215.db2.gz OTFXAYGETOLTCR-VXGBXAGGSA-N 1 1 320.397 -1.287 20 0 DAADMO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638479654 373222396 /nfs/dbraw/zinc/22/23/96/373222396.db2.gz BWAUDPAPVZQXMR-UPJWGTAASA-N 1 1 307.398 -1.094 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@H]3CO)c2c(=O)n(C)c1=O ZINC000272069352 373178440 /nfs/dbraw/zinc/17/84/40/373178440.db2.gz JMHHXYPTMXHPKV-JTQLQIEISA-N 1 1 307.354 -1.110 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCC(N)=O)CC1 ZINC000353188707 373184978 /nfs/dbraw/zinc/18/49/78/373184978.db2.gz HGEUAWSRHRKHAW-UHFFFAOYSA-N 1 1 313.402 -1.974 20 0 DAADMO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278543523 373186065 /nfs/dbraw/zinc/18/60/65/373186065.db2.gz AKEZCDZKSPOORO-OKILXGFUSA-N 1 1 321.377 -1.072 20 0 DAADMO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278543523 373186074 /nfs/dbraw/zinc/18/60/74/373186074.db2.gz AKEZCDZKSPOORO-OKILXGFUSA-N 1 1 321.377 -1.072 20 0 DAADMO O[C@@H]1C[N@H+](Cc2ccccc2CN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789408 373190801 /nfs/dbraw/zinc/19/08/01/373190801.db2.gz OAKYOVSTIYZPRB-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1C[N@@H+](Cc2ccccc2CN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789408 373190805 /nfs/dbraw/zinc/19/08/05/373190805.db2.gz OAKYOVSTIYZPRB-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO O[C@@H]1CN(Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000278789408 373190808 /nfs/dbraw/zinc/19/08/08/373190808.db2.gz OAKYOVSTIYZPRB-YHUYYLMFSA-N 1 1 308.378 -1.239 20 0 DAADMO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000282064524 373203831 /nfs/dbraw/zinc/20/38/31/373203831.db2.gz BQGIOPAJVZBYCA-XVKPBYJWSA-N 1 1 323.353 -2.037 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)N2CCNCC2=O)C[C@@H]1C ZINC000638105252 373208855 /nfs/dbraw/zinc/20/88/55/373208855.db2.gz GAWSKXZCQKZMOQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCN(C(=O)[C@@H](C)N2CCNCC2=O)C[C@@H]1C ZINC000638105252 373208866 /nfs/dbraw/zinc/20/88/66/373208866.db2.gz GAWSKXZCQKZMOQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(=O)N(C)C ZINC000340460223 373229292 /nfs/dbraw/zinc/22/92/92/373229292.db2.gz MINOLYMGBKXIDJ-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000340551337 373235197 /nfs/dbraw/zinc/23/51/97/373235197.db2.gz QDOQAHCOPANRGV-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608009513 373238084 /nfs/dbraw/zinc/23/80/84/373238084.db2.gz GXCJWLQQJSLVEV-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000608009513 373238093 /nfs/dbraw/zinc/23/80/93/373238093.db2.gz GXCJWLQQJSLVEV-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)NCCNS(C)(=O)=O ZINC000340964458 373241129 /nfs/dbraw/zinc/24/11/29/373241129.db2.gz LEKBLAZAEBCPQA-UHFFFAOYSA-N 1 1 310.420 -1.197 20 0 DAADMO CN(C)C(=O)CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000341073078 373241346 /nfs/dbraw/zinc/24/13/46/373241346.db2.gz QUXWEBVLLLLXRK-CQSZACIVSA-N 1 1 316.402 -1.153 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC000617710218 373277936 /nfs/dbraw/zinc/27/79/36/373277936.db2.gz IEMLJDKBQFSQRC-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(OCCO)CCOC2)C1 ZINC000617710218 373277947 /nfs/dbraw/zinc/27/79/47/373277947.db2.gz IEMLJDKBQFSQRC-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO CNC(=O)N[C@@H]1CCN(CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000342357250 373242591 /nfs/dbraw/zinc/24/25/91/373242591.db2.gz QXDFDMJVBOPMOO-TXEJJXNPSA-N 1 1 312.418 -1.007 20 0 DAADMO CNC(=O)N[C@@H]1CC[N@@H+](CCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000342357250 373242597 /nfs/dbraw/zinc/24/25/97/373242597.db2.gz QXDFDMJVBOPMOO-TXEJJXNPSA-N 1 1 312.418 -1.007 20 0 DAADMO CNC(=O)N[C@@H]1CC[N@H+](CCN2CC[C@H](NC(=O)NC)C2)C1 ZINC000342357250 373242603 /nfs/dbraw/zinc/24/26/03/373242603.db2.gz QXDFDMJVBOPMOO-TXEJJXNPSA-N 1 1 312.418 -1.007 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)[N@@H+](C)C1CC1 ZINC000342059954 373243229 /nfs/dbraw/zinc/24/32/29/373243229.db2.gz JPFZKGJBVAIORX-GXSJLCMTSA-N 1 1 312.370 -1.702 20 0 DAADMO O[C@@H]1CN(c2cc(C3CC3)[nH+]c(N3C[C@@H](O)[C@@H](O)C3)n2)C[C@@H]1O ZINC000343210320 373249844 /nfs/dbraw/zinc/24/98/44/373249844.db2.gz YOQSCZNLXKPVMA-MPZDIEGVSA-N 1 1 322.365 -1.562 20 0 DAADMO O=C(NC[C@]1(OCCO)CCOC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000617709092 373278412 /nfs/dbraw/zinc/27/84/12/373278412.db2.gz PSDNUXQVIKZWDD-UKRRQHHQSA-N 1 1 313.398 -1.340 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(C(=O)CN3CCCS3(=O)=O)[C@@H]2C1 ZINC000328932075 373252779 /nfs/dbraw/zinc/25/27/79/373252779.db2.gz BKYKKYWNMMWZES-VXGBXAGGSA-N 1 1 317.411 -1.047 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1=O ZINC000186604910 373260468 /nfs/dbraw/zinc/26/04/68/373260468.db2.gz KXPZZVNHCJKKMO-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[C@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@@H](C)O ZINC000182212239 373262267 /nfs/dbraw/zinc/26/22/67/373262267.db2.gz JSXHUSCNBBESHK-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000623226667 373265868 /nfs/dbraw/zinc/26/58/68/373265868.db2.gz WRMPRQGIYKRGTR-SECBINFHSA-N 1 1 301.372 -1.259 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639854924 373288477 /nfs/dbraw/zinc/28/84/77/373288477.db2.gz KRUGQDREFYJLOU-BXUZGUMPSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639854924 373288483 /nfs/dbraw/zinc/28/84/83/373288483.db2.gz KRUGQDREFYJLOU-BXUZGUMPSA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)C1 ZINC000639850677 373288604 /nfs/dbraw/zinc/28/86/04/373288604.db2.gz FTJDWDYJWZJENN-IPYPFGDCSA-N 1 1 313.398 -1.069 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639854934 373288738 /nfs/dbraw/zinc/28/87/38/373288738.db2.gz KRUGQDREFYJLOU-RISCZKNCSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639854934 373288748 /nfs/dbraw/zinc/28/87/48/373288748.db2.gz KRUGQDREFYJLOU-RISCZKNCSA-N 1 1 301.387 -1.211 20 0 DAADMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000639857881 373289838 /nfs/dbraw/zinc/28/98/38/373289838.db2.gz WCIBPVSLYOJXHQ-DOMZBBRYSA-N 1 1 313.398 -1.067 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639867075 373294113 /nfs/dbraw/zinc/29/41/13/373294113.db2.gz BJNMDZNCTZHCDJ-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639867075 373294117 /nfs/dbraw/zinc/29/41/17/373294117.db2.gz BJNMDZNCTZHCDJ-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCCS(=O)(=O)NCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639870395 373294208 /nfs/dbraw/zinc/29/42/08/373294208.db2.gz IDOBSGQMJIMISB-GFCCVEGCSA-N 1 1 309.432 -1.449 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639867076 373294406 /nfs/dbraw/zinc/29/44/06/373294406.db2.gz BJNMDZNCTZHCDJ-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CCN(CC(=O)NC(C)C)C(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639867076 373294409 /nfs/dbraw/zinc/29/44/09/373294409.db2.gz BJNMDZNCTZHCDJ-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)NC[C@]3(O)CC[N@@H+](C)C3)CC2=O)cn1 ZINC000626461114 373294420 /nfs/dbraw/zinc/29/44/20/373294420.db2.gz OSATWEWPVVNPIL-IAQYHMDHSA-N 1 1 321.381 -1.044 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CC[C@@H](CO)C3)c2c(=O)n(C)c1=O ZINC000174710206 373298742 /nfs/dbraw/zinc/29/87/42/373298742.db2.gz HGCPYPSYAZRHCW-SNVBAGLBSA-N 1 1 307.354 -1.252 20 0 DAADMO CN(CC(=O)NC1CC1)CC(O)C[N@H+](C)CC(=O)NC1CC1 ZINC000181775862 373300565 /nfs/dbraw/zinc/30/05/65/373300565.db2.gz QNFKJYYCIDLKDC-UHFFFAOYSA-N 1 1 312.414 -1.232 20 0 DAADMO CN(CC(=O)NC1CC1)CC(O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000181775862 373300572 /nfs/dbraw/zinc/30/05/72/373300572.db2.gz QNFKJYYCIDLKDC-UHFFFAOYSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@H]1CCCN1CC(O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000181790489 373302413 /nfs/dbraw/zinc/30/24/13/373302413.db2.gz OXVOWJKPPDCVDR-YHWZYXNKSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@H]1CCC[N@H+]1CC(O)CN1CCC[C@H]1C(=O)NC ZINC000181790489 373302423 /nfs/dbraw/zinc/30/24/23/373302423.db2.gz OXVOWJKPPDCVDR-YHWZYXNKSA-N 1 1 312.414 -1.232 20 0 DAADMO CNC(=O)[C@H]1CCC[N@@H+]1CC(O)CN1CCC[C@H]1C(=O)NC ZINC000181790489 373302432 /nfs/dbraw/zinc/30/24/32/373302432.db2.gz OXVOWJKPPDCVDR-YHWZYXNKSA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@@H+](CCCC(=O)NC(N)=O)CCN1CCCS1(=O)=O ZINC000610604473 373306049 /nfs/dbraw/zinc/30/60/49/373306049.db2.gz UPSMYGCRLYBJEJ-UHFFFAOYSA-N 1 1 306.388 -1.071 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604237 373306748 /nfs/dbraw/zinc/30/67/48/373306748.db2.gz IYHSTEISCJZHLN-UHFFFAOYSA-N 1 1 321.399 -1.367 20 0 DAADMO CNC(=O)NC(=O)CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604452 373307305 /nfs/dbraw/zinc/30/73/05/373307305.db2.gz SUBYSWFGYIICPJ-UHFFFAOYSA-N 1 1 306.388 -1.201 20 0 DAADMO C[C@]12C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@]1(C)C(=O)NC2=O ZINC000639945184 373307397 /nfs/dbraw/zinc/30/73/97/373307397.db2.gz IXJVMJRLDQSCSO-OKILXGFUSA-N 1 1 308.338 -1.087 20 0 DAADMO CN1CCN(C(=O)C[N@@H+](C)CCCN2C(=O)CNC2=O)CC1 ZINC000640057822 373309555 /nfs/dbraw/zinc/30/95/55/373309555.db2.gz DVTJBLKRZPUDBZ-UHFFFAOYSA-N 1 1 311.386 -1.366 20 0 DAADMO CNC(=O)NC[C@@H]1COCCN1C[C@H](O)C[N@@H+](C)CCOC ZINC000640104178 373311380 /nfs/dbraw/zinc/31/13/80/373311380.db2.gz CFNBDVODXLZTRD-CHWSQXEVSA-N 1 1 318.418 -1.445 20 0 DAADMO Cn1nccc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584838532 373312956 /nfs/dbraw/zinc/31/29/56/373312956.db2.gz SMICHUJIXKVYGL-UHFFFAOYSA-N 1 1 313.383 -1.521 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000419678101 373320946 /nfs/dbraw/zinc/32/09/46/373320946.db2.gz NQTAFOVNIYMCLT-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000419678101 373320952 /nfs/dbraw/zinc/32/09/52/373320952.db2.gz NQTAFOVNIYMCLT-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419352001 373321210 /nfs/dbraw/zinc/32/12/10/373321210.db2.gz IGRLPCFVIDQCAN-NWDGAFQWSA-N 1 1 300.403 -1.124 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418926941 373321314 /nfs/dbraw/zinc/32/13/14/373321314.db2.gz SDNPRSJANZCFBE-NWDGAFQWSA-N 1 1 300.403 -1.077 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000420148368 373323092 /nfs/dbraw/zinc/32/30/92/373323092.db2.gz FMUNHHHECMCGAN-BDAKNGLRSA-N 1 1 318.324 -1.034 20 0 DAADMO COC[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000420166648 373323402 /nfs/dbraw/zinc/32/34/02/373323402.db2.gz IZOBQSACUPKQQL-DTWKUNHWSA-N 1 1 309.313 -1.041 20 0 DAADMO CNC(=O)[C@@H]1CCCN1CC(O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000245977619 373324824 /nfs/dbraw/zinc/32/48/24/373324824.db2.gz OXVOWJKPPDCVDR-STQMWFEESA-N 1 1 312.414 -1.232 20 0 DAADMO COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000611217025 373326642 /nfs/dbraw/zinc/32/66/42/373326642.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611217025 373326645 /nfs/dbraw/zinc/32/66/45/373326645.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000611217025 373326646 /nfs/dbraw/zinc/32/66/46/373326646.db2.gz WAQBQOIJAVHKNI-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO O=C(C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1)N1CCCC1 ZINC000073806498 373326677 /nfs/dbraw/zinc/32/66/77/373326677.db2.gz YGNAJRSEEGPJOO-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO O=C(C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1)N1CCCC1 ZINC000073806498 373326680 /nfs/dbraw/zinc/32/66/80/373326680.db2.gz YGNAJRSEEGPJOO-UHFFFAOYSA-N 1 1 321.385 -1.170 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(F)(F)C[NH3+])c(=O)n(C)c1=O ZINC000162630539 373326846 /nfs/dbraw/zinc/32/68/46/373326846.db2.gz RDGLQYZOEVPSSM-UHFFFAOYSA-N 1 1 312.298 -2.044 20 0 DAADMO OCC(F)(F)CN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000639738494 373283246 /nfs/dbraw/zinc/28/32/46/373283246.db2.gz JCYKSRJMFIIJMX-ZDUSSCGKSA-N 1 1 323.384 -1.075 20 0 DAADMO OCC(F)(F)CN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000639738493 373283618 /nfs/dbraw/zinc/28/36/18/373283618.db2.gz JCYKSRJMFIIJMX-CYBMUJFWSA-N 1 1 323.384 -1.075 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(n2cnnn2)CC1 ZINC000628585569 373374737 /nfs/dbraw/zinc/37/47/37/373374737.db2.gz KZIHEPJOCAHXLM-JTQLQIEISA-N 1 1 307.358 -1.382 20 0 DAADMO C[NH2+][C@@H](C(=O)N(C)CC(=O)N1CCOCC1)c1cnn(C)c1 ZINC000262011114 373331660 /nfs/dbraw/zinc/33/16/60/373331660.db2.gz BYWFYMPRMVJEMD-CYBMUJFWSA-N 1 1 309.370 -1.002 20 0 DAADMO C[C@H]1OCCN[C@@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262317755 373333605 /nfs/dbraw/zinc/33/36/05/373333605.db2.gz QZRWQRUXFJORNI-OCCSQVGLSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[NH+](CC)CC(=O)N1CCN(C(=O)CNC(=O)CN)CC1 ZINC000262420933 373334164 /nfs/dbraw/zinc/33/41/64/373334164.db2.gz QXYCMBXIZCBUGE-UHFFFAOYSA-N 1 1 313.402 -1.926 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000422289669 373345364 /nfs/dbraw/zinc/34/53/64/373345364.db2.gz ZMYPHUPNVHRFDH-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO O=C(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCCO ZINC000533314418 373357026 /nfs/dbraw/zinc/35/70/26/373357026.db2.gz MCEJHAIRDLWWLT-MRXNPFEDSA-N 1 1 321.377 -1.152 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000612523283 373358551 /nfs/dbraw/zinc/35/85/51/373358551.db2.gz OPYLUECCOHHYBB-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000612523281 373358861 /nfs/dbraw/zinc/35/88/61/373358861.db2.gz OPYLUECCOHHYBB-NEPJUHHUSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000612669678 373360831 /nfs/dbraw/zinc/36/08/31/373360831.db2.gz HIJYYRBFHOAQKI-UWVGGRQHSA-N 1 1 308.404 -1.782 20 0 DAADMO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669678 373360839 /nfs/dbraw/zinc/36/08/39/373360839.db2.gz HIJYYRBFHOAQKI-UWVGGRQHSA-N 1 1 308.404 -1.782 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000612679055 373361238 /nfs/dbraw/zinc/36/12/38/373361238.db2.gz LWQKSPDOAQSXCE-NSHDSACASA-N 1 1 308.386 -1.120 20 0 DAADMO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000612669680 373361779 /nfs/dbraw/zinc/36/17/79/373361779.db2.gz HIJYYRBFHOAQKI-VHSXEESVSA-N 1 1 308.404 -1.782 20 0 DAADMO C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000612669680 373361780 /nfs/dbraw/zinc/36/17/80/373361780.db2.gz HIJYYRBFHOAQKI-VHSXEESVSA-N 1 1 308.404 -1.782 20 0 DAADMO Cn1nc2c(cc1=O)CN(CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000093177569 373363643 /nfs/dbraw/zinc/36/36/43/373363643.db2.gz NGJLZZNQIHSTIS-UHFFFAOYSA-N 1 1 305.382 -1.088 20 0 DAADMO CS(=O)(=O)NCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000060906492 373370983 /nfs/dbraw/zinc/37/09/83/373370983.db2.gz DHQKFZZBKLIKBZ-UHFFFAOYSA-N 1 1 308.404 -1.443 20 0 DAADMO CCN1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629787576 373403700 /nfs/dbraw/zinc/40/37/00/373403700.db2.gz GRXVRKVXJBMKCP-UHFFFAOYSA-N 1 1 300.403 -1.026 20 0 DAADMO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817198 373413369 /nfs/dbraw/zinc/41/33/69/373413369.db2.gz ZXTKLBMTVDPAKU-MJBXVCDLSA-N 1 1 324.425 -1.280 20 0 DAADMO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629817198 373413375 /nfs/dbraw/zinc/41/33/75/373413375.db2.gz ZXTKLBMTVDPAKU-MJBXVCDLSA-N 1 1 324.425 -1.280 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911132 373414410 /nfs/dbraw/zinc/41/44/10/373414410.db2.gz DGAGJEONBXEXOB-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@](O)(Cn1ccccc1=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916849 373416544 /nfs/dbraw/zinc/41/65/44/373416544.db2.gz XWLOZSLUJHKMFU-SWLSCSKDSA-N 1 1 309.366 -1.218 20 0 DAADMO C[N@@H+](CC(=O)N1CCN(CCS(N)(=O)=O)CC1)C1CCC1 ZINC000629965971 373416757 /nfs/dbraw/zinc/41/67/57/373416757.db2.gz FBJBFGQMFHGUQG-UHFFFAOYSA-N 1 1 318.443 -1.097 20 0 DAADMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cnnn2)cn1 ZINC000629917706 373416949 /nfs/dbraw/zinc/41/69/49/373416949.db2.gz LNIWOXNMTSMPIU-NSHDSACASA-N 1 1 303.326 -1.146 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c(=O)n1C ZINC000640867887 373420049 /nfs/dbraw/zinc/42/00/49/373420049.db2.gz XOMQLRZRQSITLC-UPJWGTAASA-N 1 1 323.397 -1.006 20 0 DAADMO COCC(COC)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000641339665 373421808 /nfs/dbraw/zinc/42/18/08/373421808.db2.gz AUWWPGSKAMSSCJ-UHFFFAOYSA-N 1 1 310.416 -1.022 20 0 DAADMO COCC(COC)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000641339665 373421818 /nfs/dbraw/zinc/42/18/18/373421818.db2.gz AUWWPGSKAMSSCJ-UHFFFAOYSA-N 1 1 310.416 -1.022 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nnn(C)c2=O)C1 ZINC000641516999 373425000 /nfs/dbraw/zinc/42/50/00/373425000.db2.gz SOYKCPOTNGYTTJ-NSHDSACASA-N 1 1 312.374 -1.550 20 0 DAADMO CNS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698591 373426446 /nfs/dbraw/zinc/42/64/46/373426446.db2.gz XCIVUOLWPRFXBV-LBPRGKRZSA-N 1 1 306.432 -1.163 20 0 DAADMO CNS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641698588 373426701 /nfs/dbraw/zinc/42/67/01/373426701.db2.gz XCIVUOLWPRFXBV-GFCCVEGCSA-N 1 1 306.432 -1.163 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000069577878 373427190 /nfs/dbraw/zinc/42/71/90/373427190.db2.gz WBOPWZFJPDERMD-NSHDSACASA-N 1 1 310.354 -1.236 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629167542 373383097 /nfs/dbraw/zinc/38/30/97/373383097.db2.gz GNYJGMBZILDFFC-SNVBAGLBSA-N 1 1 308.404 -2.093 20 0 DAADMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1=O ZINC000629178138 373383157 /nfs/dbraw/zinc/38/31/57/373383157.db2.gz GQHUCDKZSCVIFE-ABAIWWIYSA-N 1 1 324.381 -1.110 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175800 373383315 /nfs/dbraw/zinc/38/33/15/373383315.db2.gz YVFIZTOHQHWBOB-LLVKDONJSA-N 1 1 307.416 -1.159 20 0 DAADMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000629518774 373388956 /nfs/dbraw/zinc/38/89/56/373388956.db2.gz OPOIPPSFZSRKRY-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000629518774 373388965 /nfs/dbraw/zinc/38/89/65/373388965.db2.gz OPOIPPSFZSRKRY-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](N2CCOCC2)C1)N1CCNC(=O)C1 ZINC000572494356 373389381 /nfs/dbraw/zinc/38/93/81/373389381.db2.gz SNXPAEBXCOHRQX-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](N2CCOCC2)C1)N1CCNC(=O)C1 ZINC000572494356 373389390 /nfs/dbraw/zinc/38/93/90/373389390.db2.gz SNXPAEBXCOHRQX-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO Cn1c2ncn(CC[N@H+]3C[C@@H]4C[C@]4(O)C3)c2c(=O)n(C)c1=O ZINC000640477571 373393157 /nfs/dbraw/zinc/39/31/57/373393157.db2.gz BXRGJOJXFQZEAL-XPTSAGLGSA-N 1 1 305.338 -1.500 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629573323 373397966 /nfs/dbraw/zinc/39/79/66/373397966.db2.gz FIXYTJQMMXKKDI-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO COC[C@@]1(CNS(=O)(=O)C[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000631936428 373442780 /nfs/dbraw/zinc/44/27/80/373442780.db2.gz BVYMNJSNVLMHFM-RYUDHWBXSA-N 1 1 307.416 -1.337 20 0 DAADMO COC[C@]1(CNS(=O)(=O)C[C@@H]2CNCCO2)CCC[NH2+]1 ZINC000631936427 373443096 /nfs/dbraw/zinc/44/30/96/373443096.db2.gz BVYMNJSNVLMHFM-NWDGAFQWSA-N 1 1 307.416 -1.337 20 0 DAADMO C[NH2+]CCCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627062549 373448744 /nfs/dbraw/zinc/44/87/44/373448744.db2.gz KKJKJQKHUBIZJF-UHFFFAOYSA-N 1 1 312.418 -1.052 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502863 373481358 /nfs/dbraw/zinc/48/13/58/373481358.db2.gz DAAYLGLWMMCJDF-VXGBXAGGSA-N 1 1 319.413 -1.283 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000613521240 373458208 /nfs/dbraw/zinc/45/82/08/373458208.db2.gz BQUVXWADHQLIGA-CMPLNLGQSA-N 1 1 320.415 -1.915 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000614506055 373482699 /nfs/dbraw/zinc/48/26/99/373482699.db2.gz DTRVEIORODGOHH-JTQLQIEISA-N 1 1 323.353 -2.087 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@H](C)C1 ZINC000613656614 373464080 /nfs/dbraw/zinc/46/40/80/373464080.db2.gz ROKSUUAWDYEHDW-GHMZBOCLSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2nc3n(n2)CCCN3)[C@H](C)C1 ZINC000613656614 373464090 /nfs/dbraw/zinc/46/40/90/373464090.db2.gz ROKSUUAWDYEHDW-GHMZBOCLSA-N 1 1 308.386 -1.122 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000613655620 373464771 /nfs/dbraw/zinc/46/47/71/373464771.db2.gz LMHAZSAUWYJEKN-GHMZBOCLSA-N 1 1 322.431 -1.704 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000613655622 373465283 /nfs/dbraw/zinc/46/52/83/373465283.db2.gz LMHAZSAUWYJEKN-QWRGUYRKSA-N 1 1 322.431 -1.704 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614511055 373481889 /nfs/dbraw/zinc/48/18/89/373481889.db2.gz DYQNTPPMVAOEDE-NSHDSACASA-N 1 1 304.416 -1.568 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614502374 373481931 /nfs/dbraw/zinc/48/19/31/373481931.db2.gz KIOLPHXGDGCGRH-UBHSHLNASA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614502375 373481974 /nfs/dbraw/zinc/48/19/74/373481974.db2.gz KIOLPHXGDGCGRH-YUTCNCBUSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000613757034 373469004 /nfs/dbraw/zinc/46/90/04/373469004.db2.gz AYKSREQEHBNKCD-ONGXEEELSA-N 1 1 312.370 -1.112 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NCC[N@H+]1CCCOCC1 ZINC000613802322 373469032 /nfs/dbraw/zinc/46/90/32/373469032.db2.gz HDYBULXNSXMYBV-UHFFFAOYSA-N 1 1 308.404 -1.779 20 0 DAADMO O=C(NCC[N@H+]1CCCOCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000613801314 373469679 /nfs/dbraw/zinc/46/96/79/373469679.db2.gz BSOYDRBKLITZEE-JHJVBQTASA-N 1 1 300.355 -1.762 20 0 DAADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000613767464 373470053 /nfs/dbraw/zinc/47/00/53/373470053.db2.gz VDZXKSMPRBRWIS-UWVGGRQHSA-N 1 1 312.370 -1.112 20 0 DAADMO CN1CCN(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000614502637 373482425 /nfs/dbraw/zinc/48/24/25/373482425.db2.gz LBGISXIRBYRZAW-CYBMUJFWSA-N 1 1 309.414 -1.734 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614098746 373475843 /nfs/dbraw/zinc/47/58/43/373475843.db2.gz UIBQXDWSPQVFPX-UWVGGRQHSA-N 1 1 308.379 -1.315 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614514042 373482474 /nfs/dbraw/zinc/48/24/74/373482474.db2.gz YFMCIWNMTQFBFG-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(=O)n1C ZINC000614514257 373482602 /nfs/dbraw/zinc/48/26/02/373482602.db2.gz KQNKDUMANRBOCW-GFCCVEGCSA-N 1 1 308.386 -1.604 20 0 DAADMO CN1NN=C2C1=NCC[C@@H]2C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627266127 373492913 /nfs/dbraw/zinc/49/29/13/373492913.db2.gz UZMHKCZVUKTCSK-TUAOUCFPSA-N 1 1 320.397 -1.122 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000541814147 373498674 /nfs/dbraw/zinc/49/86/74/373498674.db2.gz RLOMUTDQMQYBJG-UONOGXRCSA-N 1 1 311.430 -1.042 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)N(C)C ZINC000614938196 373500370 /nfs/dbraw/zinc/50/03/70/373500370.db2.gz XNWUHZGJWSQMCR-UHFFFAOYSA-N 1 1 323.463 -1.618 20 0 DAADMO CN(CCCNC(=O)CNS(=O)(=O)N(C)C)CC[NH+](C)C ZINC000614938196 373500380 /nfs/dbraw/zinc/50/03/80/373500380.db2.gz XNWUHZGJWSQMCR-UHFFFAOYSA-N 1 1 323.463 -1.618 20 0 DAADMO CC(C)(O)CN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000630343645 373500408 /nfs/dbraw/zinc/50/04/08/373500408.db2.gz HYYGBDSMLQYHCS-UHFFFAOYSA-N 1 1 313.446 -1.010 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627267861 373500934 /nfs/dbraw/zinc/50/09/34/373500934.db2.gz TYPKRGBLYQFDGF-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615139604 373505780 /nfs/dbraw/zinc/50/57/80/373505780.db2.gz HUKVCELPFCROJH-ZDUSSCGKSA-N 1 1 313.398 -1.090 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)S1(=O)=O ZINC000615147253 373506173 /nfs/dbraw/zinc/50/61/73/373506173.db2.gz DBJMULXIFNDVBA-LBPRGKRZSA-N 1 1 317.411 -1.189 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615203125 373507017 /nfs/dbraw/zinc/50/70/17/373507017.db2.gz JOBSXMBMGITZKG-GFCCVEGCSA-N 1 1 304.416 -1.063 20 0 DAADMO CC1(C)C[NH+](CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000553269879 373507942 /nfs/dbraw/zinc/50/79/42/373507942.db2.gz QDGFFZWIXQIGOT-UHFFFAOYSA-N 1 1 321.385 -1.314 20 0 DAADMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000615276143 373508379 /nfs/dbraw/zinc/50/83/79/373508379.db2.gz PWQUHPUIBBEHKQ-TUAOUCFPSA-N 1 1 317.411 -1.000 20 0 DAADMO C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000615214795 373509051 /nfs/dbraw/zinc/50/90/51/373509051.db2.gz GGASERWPACUWGT-SRVKXCTJSA-N 1 1 302.419 -1.178 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)[NH+](C)C)N(C)C ZINC000615214795 373509057 /nfs/dbraw/zinc/50/90/57/373509057.db2.gz GGASERWPACUWGT-SRVKXCTJSA-N 1 1 302.419 -1.178 20 0 DAADMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000615275652 373509390 /nfs/dbraw/zinc/50/93/90/373509390.db2.gz MYPVYJWGFUFZAL-QWRGUYRKSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927128 373509667 /nfs/dbraw/zinc/50/96/67/373509667.db2.gz YAOPNXPBLPHHLZ-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000089927128 373509671 /nfs/dbraw/zinc/50/96/71/373509671.db2.gz YAOPNXPBLPHHLZ-ZJUUUORDSA-N 1 1 324.381 -1.058 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000554562890 373511899 /nfs/dbraw/zinc/51/18/99/373511899.db2.gz SATAYEZVAWHSPD-JTQLQIEISA-N 1 1 313.358 -1.754 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CO)C2)C1 ZINC000553394769 373512510 /nfs/dbraw/zinc/51/25/10/373512510.db2.gz VQLYJIIRROLMPU-FRRDWIJNSA-N 1 1 313.398 -1.090 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000565870802 373525216 /nfs/dbraw/zinc/52/52/16/373525216.db2.gz DECIHQUBBVUHSG-STQMWFEESA-N 1 1 323.459 -1.109 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000566413762 373527921 /nfs/dbraw/zinc/52/79/21/373527921.db2.gz IQIAFWSALROSMK-QWHCGFSZSA-N 1 1 323.459 -1.061 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506449 373482808 /nfs/dbraw/zinc/48/28/08/373482808.db2.gz YBDDUSJYAPLPTB-JTQLQIEISA-N 1 1 305.404 -2.454 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CCS(=O)(=O)N1 ZINC000614514352 373484574 /nfs/dbraw/zinc/48/45/74/373484574.db2.gz MZOYMSNLWIHHRS-QWRGUYRKSA-N 1 1 302.400 -1.816 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CCS(=O)(=O)N1 ZINC000614514353 373484691 /nfs/dbraw/zinc/48/46/91/373484691.db2.gz MZOYMSNLWIHHRS-WDEREUQCSA-N 1 1 302.400 -1.816 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000529736648 373487330 /nfs/dbraw/zinc/48/73/30/373487330.db2.gz DEXMKBMZAKXKTB-QWRGUYRKSA-N 1 1 300.359 -1.527 20 0 DAADMO CNC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000529736648 373487335 /nfs/dbraw/zinc/48/73/35/373487335.db2.gz DEXMKBMZAKXKTB-QWRGUYRKSA-N 1 1 300.359 -1.527 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(CC(N)=O)C(=O)C1 ZINC000578140498 373579710 /nfs/dbraw/zinc/57/97/10/373579710.db2.gz KZVGVUZSBGJTFT-NSHDSACASA-N 1 1 302.375 -2.445 20 0 DAADMO Cn1cnn(CCC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1=O ZINC000579003879 373587895 /nfs/dbraw/zinc/58/78/95/373587895.db2.gz CPIYUJJMCYCYBB-LBPRGKRZSA-N 1 1 311.386 -1.065 20 0 DAADMO CN(CC(=O)N1CCNCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567584320 373537280 /nfs/dbraw/zinc/53/72/80/373537280.db2.gz LZRMWQJDIOXVGV-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000572703470 373547323 /nfs/dbraw/zinc/54/73/23/373547323.db2.gz IEBLQDBFJTYRLS-ZDUSSCGKSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000569045597 373547382 /nfs/dbraw/zinc/54/73/82/373547382.db2.gz BIECJNPJJLXOEE-WZRBSPASSA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000569045597 373547389 /nfs/dbraw/zinc/54/73/89/373547389.db2.gz BIECJNPJJLXOEE-WZRBSPASSA-N 1 1 313.398 -1.213 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1=O ZINC000569197978 373548626 /nfs/dbraw/zinc/54/86/26/373548626.db2.gz MUVRFSTUUMEDBK-VXGBXAGGSA-N 1 1 308.382 -1.160 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000572703469 373548846 /nfs/dbraw/zinc/54/88/46/373548846.db2.gz IEBLQDBFJTYRLS-CYBMUJFWSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1=O ZINC000569197975 373549131 /nfs/dbraw/zinc/54/91/31/373549131.db2.gz MUVRFSTUUMEDBK-NEPJUHHUSA-N 1 1 308.382 -1.160 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000572732184 373550002 /nfs/dbraw/zinc/55/00/02/373550002.db2.gz YOQVXFWTAGACBS-UHFFFAOYSA-N 1 1 314.386 -1.629 20 0 DAADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000573694543 373555455 /nfs/dbraw/zinc/55/54/55/373555455.db2.gz DZYIRMGLKLUYOY-UHFFFAOYSA-N 1 1 307.354 -1.002 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000573919790 373556480 /nfs/dbraw/zinc/55/64/80/373556480.db2.gz ZYCPIKCOJHGPSL-SNVBAGLBSA-N 1 1 308.342 -1.594 20 0 DAADMO O=C(c1cnns1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573919103 373557239 /nfs/dbraw/zinc/55/72/39/373557239.db2.gz ARMYKRGNRYDEGK-UHFFFAOYSA-N 1 1 317.396 -1.403 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCNC(C)=O)C1 ZINC000573963252 373558515 /nfs/dbraw/zinc/55/85/15/373558515.db2.gz DFODUCLKIRXCSC-GFCCVEGCSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000574130646 373559226 /nfs/dbraw/zinc/55/92/26/373559226.db2.gz DNPFUYLCYHNYCD-GHMZBOCLSA-N 1 1 302.375 -1.151 20 0 DAADMO CN(CC(=O)N1CCNCC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000574751935 373561691 /nfs/dbraw/zinc/56/16/91/373561691.db2.gz HAUIWQSFVNCTOG-LLVKDONJSA-N 1 1 300.428 -1.028 20 0 DAADMO COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000575772520 373568089 /nfs/dbraw/zinc/56/80/89/373568089.db2.gz ATHVGHLENOVXLS-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000576712378 373570005 /nfs/dbraw/zinc/57/00/05/373570005.db2.gz IIEKBOAWUDYWCC-UHFFFAOYSA-N 1 1 321.447 -1.818 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000580656034 373574903 /nfs/dbraw/zinc/57/49/03/373574903.db2.gz HDPXQZJDTRETSU-UHFFFAOYSA-N 1 1 300.359 -2.019 20 0 DAADMO CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[C@@H]1CCC[N@H+]1C ZINC000577599320 373576440 /nfs/dbraw/zinc/57/64/40/373576440.db2.gz WCWODWCAQALNEE-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000072937999 373625472 /nfs/dbraw/zinc/62/54/72/373625472.db2.gz IIEGYNYWEGOJNX-UHFFFAOYSA-N 1 1 311.430 -1.534 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC000069577465 373625844 /nfs/dbraw/zinc/62/58/44/373625844.db2.gz PKIAYDPXHNDDNK-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000616158180 373628079 /nfs/dbraw/zinc/62/80/79/373628079.db2.gz XCYPZKVATMRRPZ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000616158180 373628085 /nfs/dbraw/zinc/62/80/85/373628085.db2.gz XCYPZKVATMRRPZ-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000616158186 373628440 /nfs/dbraw/zinc/62/84/40/373628440.db2.gz XCYPZKVATMRRPZ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000616158186 373628449 /nfs/dbraw/zinc/62/84/49/373628449.db2.gz XCYPZKVATMRRPZ-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405246487 373636708 /nfs/dbraw/zinc/63/67/08/373636708.db2.gz FZNMECCCMUYXBZ-WDEREUQCSA-N 1 1 321.399 -1.523 20 0 DAADMO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627302629 373639278 /nfs/dbraw/zinc/63/92/78/373639278.db2.gz TYCOVJLQHVJESK-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000627312775 373642928 /nfs/dbraw/zinc/64/29/28/373642928.db2.gz IKGSIHSUSHYUMT-JHJVBQTASA-N 1 1 311.430 -1.395 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C[NH2+]1 ZINC000627312775 373642937 /nfs/dbraw/zinc/64/29/37/373642937.db2.gz IKGSIHSUSHYUMT-JHJVBQTASA-N 1 1 311.430 -1.395 20 0 DAADMO CNS(=O)(=O)CCN1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000621269337 373643112 /nfs/dbraw/zinc/64/31/12/373643112.db2.gz QVEGITGNABXHIN-UHFFFAOYSA-N 1 1 302.404 -1.220 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[NH2+]1 ZINC000627312776 373643444 /nfs/dbraw/zinc/64/34/44/373643444.db2.gz IKGSIHSUSHYUMT-UPJWGTAASA-N 1 1 311.430 -1.395 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)C[NH2+]1 ZINC000627312776 373643450 /nfs/dbraw/zinc/64/34/50/373643450.db2.gz IKGSIHSUSHYUMT-UPJWGTAASA-N 1 1 311.430 -1.395 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627308386 373643563 /nfs/dbraw/zinc/64/35/63/373643563.db2.gz OJMBEENARAWTHN-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627308386 373643573 /nfs/dbraw/zinc/64/35/73/373643573.db2.gz OJMBEENARAWTHN-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627308386 373643578 /nfs/dbraw/zinc/64/35/78/373643578.db2.gz OJMBEENARAWTHN-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627313254 373643876 /nfs/dbraw/zinc/64/38/76/373643876.db2.gz ZXURNWBOBASUJO-CHWSQXEVSA-N 1 1 323.441 -1.251 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627313254 373643886 /nfs/dbraw/zinc/64/38/86/373643886.db2.gz ZXURNWBOBASUJO-CHWSQXEVSA-N 1 1 323.441 -1.251 20 0 DAADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000621521438 373645791 /nfs/dbraw/zinc/64/57/91/373645791.db2.gz OECCYAIKOWLFAG-SNVBAGLBSA-N 1 1 322.456 -1.658 20 0 DAADMO CNS(=O)(=O)CC[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000621287381 373647068 /nfs/dbraw/zinc/64/70/68/373647068.db2.gz LVZNPXXLEOSCAN-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000621287381 373647072 /nfs/dbraw/zinc/64/70/72/373647072.db2.gz LVZNPXXLEOSCAN-VXGBXAGGSA-N 1 1 310.416 -1.119 20 0 DAADMO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC000622031104 373653414 /nfs/dbraw/zinc/65/34/14/373653414.db2.gz HNVSHZBNWDJRHL-BCUIYNNISA-N 1 1 322.409 -1.396 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000622050319 373655710 /nfs/dbraw/zinc/65/57/10/373655710.db2.gz IZTVAOVUKORQEK-SNVBAGLBSA-N 1 1 309.388 -1.872 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000622050319 373655718 /nfs/dbraw/zinc/65/57/18/373655718.db2.gz IZTVAOVUKORQEK-SNVBAGLBSA-N 1 1 309.388 -1.872 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CNS(=O)(=O)NC)CC1 ZINC000581198434 373599411 /nfs/dbraw/zinc/59/94/11/373599411.db2.gz YNYPRUFZISNEJY-UHFFFAOYSA-N 1 1 321.403 -2.680 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000627349264 373655757 /nfs/dbraw/zinc/65/57/57/373655757.db2.gz HZVGQJTXMAYYLL-YPMHNXCESA-N 1 1 312.414 -1.063 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1nc2n(n1)CCCN2 ZINC000615480786 373609285 /nfs/dbraw/zinc/60/92/85/373609285.db2.gz RUQBUTSMTBEJRK-LLVKDONJSA-N 1 1 308.386 -1.072 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615601663 373611502 /nfs/dbraw/zinc/61/15/02/373611502.db2.gz ISEKQAHTVWYFPZ-LBPRGKRZSA-N 1 1 304.416 -1.016 20 0 DAADMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000026174333 373612889 /nfs/dbraw/zinc/61/28/89/373612889.db2.gz IPSCLYZMKZLHBT-VIFPVBQESA-N 1 1 306.388 -1.025 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCCN2)C[N@@H+]1C1CC1 ZINC000627349167 373656780 /nfs/dbraw/zinc/65/67/80/373656780.db2.gz FGNKRGVBPFJLPP-UTUOFQBUSA-N 1 1 310.398 -1.168 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCCN2)C[N@H+]1C1CC1 ZINC000627349167 373656787 /nfs/dbraw/zinc/65/67/87/373656787.db2.gz FGNKRGVBPFJLPP-UTUOFQBUSA-N 1 1 310.398 -1.168 20 0 DAADMO CC(C)NC(=O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000043886632 373616851 /nfs/dbraw/zinc/61/68/51/373616851.db2.gz QFXBJYFYYZGZKV-UHFFFAOYSA-N 1 1 313.402 -1.026 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627352903 373657051 /nfs/dbraw/zinc/65/70/51/373657051.db2.gz LXYRDCJLLXFAMY-RYUDHWBXSA-N 1 1 300.403 -1.063 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(S(N)(=O)=O)CC2)C1 ZINC000117372898 373659889 /nfs/dbraw/zinc/65/98/89/373659889.db2.gz SQKHLFKBESQOAB-GFCCVEGCSA-N 1 1 306.432 -1.083 20 0 DAADMO Nc1nc(N)[nH+]c(NCc2cccnc2N2CCOCC2)n1 ZINC000623842431 373660940 /nfs/dbraw/zinc/66/09/40/373660940.db2.gz NQECJHKHRDKPCU-UHFFFAOYSA-N 1 1 302.342 -1.038 20 0 DAADMO CN(C)S(=O)(=O)c1ccccc1CNc1nc(N)nc(N)[nH+]1 ZINC000623829554 373661147 /nfs/dbraw/zinc/66/11/47/373661147.db2.gz MGFWNOWDQODHNM-UHFFFAOYSA-N 1 1 323.382 -1.019 20 0 DAADMO CC(C)OCCOC[C@H](O)CN(C)c1nc(N)nc(N)[nH+]1 ZINC000623893639 373661895 /nfs/dbraw/zinc/66/18/95/373661895.db2.gz XHVUDAMVWUIYSE-SECBINFHSA-N 1 1 300.363 -1.065 20 0 DAADMO CS(=O)(=O)NC[C@H]1CCCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000623854924 373662619 /nfs/dbraw/zinc/66/26/19/373662619.db2.gz MMZYDLCGNHXNPU-SSDOTTSWSA-N 1 1 301.376 -1.538 20 0 DAADMO C[C@@H]1C[C@@H](Nc2nc(N)nc(N)[nH+]2)C(=O)N1c1cnn(C)c1 ZINC000624006450 373665211 /nfs/dbraw/zinc/66/52/11/373665211.db2.gz XKJOUAUVPCLRMA-HTRCEHHLSA-N 1 1 303.330 -1.542 20 0 DAADMO COc1cc(N2CCN(c3nc(N)nc(N)[nH+]3)CC2)ncn1 ZINC000624104512 373665522 /nfs/dbraw/zinc/66/55/22/373665522.db2.gz WSKSDTYAAXLLJX-UHFFFAOYSA-N 1 1 303.330 -1.178 20 0 DAADMO CS(=O)(=O)NCC[C@@H]1CCCCN1c1nc(N)nc(N)[nH+]1 ZINC000624022926 373665976 /nfs/dbraw/zinc/66/59/76/373665976.db2.gz GYBORYJEKIXOMT-QMMMGPOBSA-N 1 1 315.403 -1.005 20 0 DAADMO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624283613 373667437 /nfs/dbraw/zinc/66/74/37/373667437.db2.gz UTZBXGRHCZCEJU-SECBINFHSA-N 1 1 311.429 -1.356 20 0 DAADMO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNc1nc(N)nc(N)[nH+]1 ZINC000624212379 373667585 /nfs/dbraw/zinc/66/75/85/373667585.db2.gz FXKKTKZWYLKXEJ-YUMQZZPRSA-N 1 1 315.403 -1.361 20 0 DAADMO Nc1nc(N)[nH+]c(N2CCCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000624190224 373668055 /nfs/dbraw/zinc/66/80/55/373668055.db2.gz ZJHPYMOKDRFCNT-UHFFFAOYSA-N 1 1 313.387 -1.299 20 0 DAADMO COCCN(CCOC)S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000624402273 373671105 /nfs/dbraw/zinc/67/11/05/373671105.db2.gz RYQXRCWVWZURPL-LLVKDONJSA-N 1 1 311.404 -1.596 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627361356 373671488 /nfs/dbraw/zinc/67/14/88/373671488.db2.gz MKBMBLUZLKMYHX-GFCCVEGCSA-N 1 1 316.402 -1.825 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627361356 373671496 /nfs/dbraw/zinc/67/14/96/373671496.db2.gz MKBMBLUZLKMYHX-GFCCVEGCSA-N 1 1 316.402 -1.825 20 0 DAADMO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000627464025 373680018 /nfs/dbraw/zinc/68/00/18/373680018.db2.gz PDKMLFPQNIZJHE-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO CCN1C[C@H](S(=O)(=O)NCC[NH+]2CCC(O)CC2)CC1=O ZINC000632421752 373718543 /nfs/dbraw/zinc/71/85/43/373718543.db2.gz YSMCYDUEXSZAPZ-GFCCVEGCSA-N 1 1 319.427 -1.017 20 0 DAADMO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627472302 373682254 /nfs/dbraw/zinc/68/22/54/373682254.db2.gz MURHVHYCNYBZNS-LBPRGKRZSA-N 1 1 300.403 -1.110 20 0 DAADMO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627473375 373682368 /nfs/dbraw/zinc/68/23/68/373682368.db2.gz MHOKKXJJHSWCPJ-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627473375 373682372 /nfs/dbraw/zinc/68/23/72/373682372.db2.gz MHOKKXJJHSWCPJ-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475675 373684175 /nfs/dbraw/zinc/68/41/75/373684175.db2.gz RYDBCKSIWMXRKY-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475675 373684187 /nfs/dbraw/zinc/68/41/87/373684187.db2.gz RYDBCKSIWMXRKY-CHWSQXEVSA-N 1 1 312.414 -1.061 20 0 DAADMO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475488 373684618 /nfs/dbraw/zinc/68/46/18/373684618.db2.gz NQINQONBEFVSHR-LBPRGKRZSA-N 1 1 300.403 -1.061 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1=O ZINC000627574346 373690150 /nfs/dbraw/zinc/69/01/50/373690150.db2.gz CLELCAOIRYXNGL-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1=O ZINC000627574345 373690200 /nfs/dbraw/zinc/69/02/00/373690200.db2.gz CLELCAOIRYXNGL-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO CN1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000632421210 373719135 /nfs/dbraw/zinc/71/91/35/373719135.db2.gz SRFFDEUJUQPBNG-ZDUSSCGKSA-N 1 1 321.443 -1.307 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCCF)CC1 ZINC000627957036 373695095 /nfs/dbraw/zinc/69/50/95/373695095.db2.gz IXUVLFAJLJSVCO-UHFFFAOYSA-N 1 1 302.350 -1.258 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000631901035 373697470 /nfs/dbraw/zinc/69/74/70/373697470.db2.gz PFJOCKXNOINKFU-SNVBAGLBSA-N 1 1 311.429 -1.497 20 0 DAADMO CN(CCC[NH+](C)C)CCNS(=O)(=O)C[C@@H]1CNCCO1 ZINC000631950602 373703588 /nfs/dbraw/zinc/70/35/88/373703588.db2.gz LXYFQYTUHINZBK-ZDUSSCGKSA-N 1 1 322.475 -1.222 20 0 DAADMO CCO[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000631947734 373703715 /nfs/dbraw/zinc/70/37/15/373703715.db2.gz LGQQWWQFFATPAL-GRYCIOLGSA-N 1 1 307.416 -1.400 20 0 DAADMO O=S(=O)(C[C@H]1CNCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631937747 373704092 /nfs/dbraw/zinc/70/40/92/373704092.db2.gz ZIFXGYDLGBVKCE-QWHCGFSZSA-N 1 1 318.443 -1.716 20 0 DAADMO CN1CCN(CCCS(=O)(=O)NCCOCCC[NH3+])CC1 ZINC000631955528 373704395 /nfs/dbraw/zinc/70/43/95/373704395.db2.gz MLVAULLNNIOLLD-UHFFFAOYSA-N 1 1 322.475 -1.091 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000632001418 373705744 /nfs/dbraw/zinc/70/57/44/373705744.db2.gz QOPNVZZGWOMWDH-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CN1CCO[C@@H](CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000632001418 373705746 /nfs/dbraw/zinc/70/57/46/373705746.db2.gz QOPNVZZGWOMWDH-CYBMUJFWSA-N 1 1 321.443 -1.353 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CCC[N@H+](CCO)CC2)CC1=O ZINC000632001240 373707569 /nfs/dbraw/zinc/70/75/69/373707569.db2.gz KXPXCLOJKLSIFV-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CCC[N@@H+](CCO)CC2)CC1=O ZINC000632001240 373707580 /nfs/dbraw/zinc/70/75/80/373707580.db2.gz KXPXCLOJKLSIFV-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CNS(=O)(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000632726335 373724981 /nfs/dbraw/zinc/72/49/81/373724981.db2.gz ICAVVKIGMMUXBM-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000633112396 373731295 /nfs/dbraw/zinc/73/12/95/373731295.db2.gz YUXDVGZCHKESFS-MELADBBJSA-N 1 1 324.425 -1.006 20 0 DAADMO CNS(=O)(=O)CCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000633471782 373732900 /nfs/dbraw/zinc/73/29/00/373732900.db2.gz JWGJURBJOUVCES-LLVKDONJSA-N 1 1 322.431 -1.054 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CNC(=O)NC)C1 ZINC000634516114 373737226 /nfs/dbraw/zinc/73/72/26/373737226.db2.gz BGEPOWZCYZGBPV-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCOC[C@H]2CNC(=O)NC)C1 ZINC000634516114 373737231 /nfs/dbraw/zinc/73/72/31/373737231.db2.gz BGEPOWZCYZGBPV-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000174442483 373738620 /nfs/dbraw/zinc/73/86/20/373738620.db2.gz VUHVDSPATJGZLC-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC000174442483 373738627 /nfs/dbraw/zinc/73/86/27/373738627.db2.gz VUHVDSPATJGZLC-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)NC)C1 ZINC000634516117 373739898 /nfs/dbraw/zinc/73/98/98/373739898.db2.gz BGEPOWZCYZGBPV-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)NC)C1 ZINC000634516117 373739906 /nfs/dbraw/zinc/73/99/06/373739906.db2.gz BGEPOWZCYZGBPV-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001192476623 781962684 /nfs/dbraw/zinc/96/26/84/781962684.db2.gz LSXAMXZYWGDCOW-IVZWLZJFSA-N 1 1 315.326 -2.240 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001192473265 781963961 /nfs/dbraw/zinc/96/39/61/781963961.db2.gz VLBBVVIIRGQMEE-GFCCVEGCSA-N 1 1 319.365 -1.171 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC001192473265 781963971 /nfs/dbraw/zinc/96/39/71/781963971.db2.gz VLBBVVIIRGQMEE-GFCCVEGCSA-N 1 1 319.365 -1.171 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192444198 781964782 /nfs/dbraw/zinc/96/47/82/781964782.db2.gz JFVMXKFOHRXSET-YNEHKIRRSA-N 1 1 315.370 -2.367 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001192444113 781964947 /nfs/dbraw/zinc/96/49/47/781964947.db2.gz HDIQUIJPQDFPAW-MVWJERBFSA-N 1 1 314.386 -1.369 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192443728 781965583 /nfs/dbraw/zinc/96/55/83/781965583.db2.gz APTASJLREPPCJY-IVZWLZJFSA-N 1 1 304.347 -2.787 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192443728 781965574 /nfs/dbraw/zinc/96/55/74/781965574.db2.gz APTASJLREPPCJY-IVZWLZJFSA-N 1 1 304.347 -2.787 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001192438183 781965614 /nfs/dbraw/zinc/96/56/14/781965614.db2.gz RSPYWJFXWVNUPX-JHJVBQTASA-N 1 1 310.354 -1.433 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001192443765 781965998 /nfs/dbraw/zinc/96/59/98/781965998.db2.gz BFOCBXGYDCGUQI-MVWJERBFSA-N 1 1 314.386 -1.369 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001192443765 781966005 /nfs/dbraw/zinc/96/60/05/781966005.db2.gz BFOCBXGYDCGUQI-MVWJERBFSA-N 1 1 314.386 -1.369 20 0 DAADMO CC[NH+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000023467911 182361184 /nfs/dbraw/zinc/36/11/84/182361184.db2.gz REDUQVWHBPDFDZ-UHFFFAOYSA-N 1 1 309.370 -1.514 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)CC[N@H+]1CC(C)(C)O ZINC000444574212 545781739 /nfs/dbraw/zinc/78/17/39/545781739.db2.gz QWBSUCWBNROOTI-ZJUUUORDSA-N 1 1 302.375 -1.681 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494950 781966706 /nfs/dbraw/zinc/96/67/06/781966706.db2.gz LNNVCWQKGGDSCU-ZIAGYGMSSA-N 1 1 324.381 -1.157 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001192494950 781966716 /nfs/dbraw/zinc/96/67/16/781966716.db2.gz LNNVCWQKGGDSCU-ZIAGYGMSSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192453324 781967403 /nfs/dbraw/zinc/96/74/03/781967403.db2.gz LHRUHABUHPGJNX-GMTAPVOTSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192453324 781967413 /nfs/dbraw/zinc/96/74/13/781967413.db2.gz LHRUHABUHPGJNX-GMTAPVOTSA-N 1 1 312.370 -2.095 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192552039 781968903 /nfs/dbraw/zinc/96/89/03/781968903.db2.gz WFZLLBJTINBPDZ-LLVKDONJSA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001192552039 781968914 /nfs/dbraw/zinc/96/89/14/781968914.db2.gz WFZLLBJTINBPDZ-LLVKDONJSA-N 1 1 322.369 -1.060 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550028 781970539 /nfs/dbraw/zinc/97/05/39/781970539.db2.gz CXOZXLPRSNSERQ-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550028 781970550 /nfs/dbraw/zinc/97/05/50/781970550.db2.gz CXOZXLPRSNSERQ-NXEZZACHSA-N 1 1 320.415 -1.797 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192550006 781970653 /nfs/dbraw/zinc/97/06/53/781970653.db2.gz CTXXIODZDDCPCI-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192563696 781971274 /nfs/dbraw/zinc/97/12/74/781971274.db2.gz NKNGMQSLFUBJOU-GMTAPVOTSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192563696 781971283 /nfs/dbraw/zinc/97/12/83/781971283.db2.gz NKNGMQSLFUBJOU-GMTAPVOTSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192563700 781971316 /nfs/dbraw/zinc/97/13/16/781971316.db2.gz NKNGMQSLFUBJOU-OUAUKWLOSA-N 1 1 317.342 -2.081 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192563700 781971307 /nfs/dbraw/zinc/97/13/07/781971307.db2.gz NKNGMQSLFUBJOU-OUAUKWLOSA-N 1 1 317.342 -2.081 20 0 DAADMO CC[N@@H+](CC(=O)N1CCN(CCS(N)(=O)=O)CC1)C1CC1 ZINC000122780134 269707240 /nfs/dbraw/zinc/70/72/40/269707240.db2.gz KUVYZYPSZLSOAI-UHFFFAOYSA-N 1 1 318.443 -1.097 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528508344 269714397 /nfs/dbraw/zinc/71/43/97/269714397.db2.gz ZCJNVJQBWBMVQY-NSHDSACASA-N 1 1 307.416 -1.266 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192545965 781971456 /nfs/dbraw/zinc/97/14/56/781971456.db2.gz APISJLYMOZQSGX-JHJVBQTASA-N 1 1 311.386 -1.010 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192615409 781972717 /nfs/dbraw/zinc/97/27/17/781972717.db2.gz LQWUPQRWMKZVNO-UPJWGTAASA-N 1 1 302.371 -1.418 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C1CC1 ZINC001192615409 781972727 /nfs/dbraw/zinc/97/27/27/781972727.db2.gz LQWUPQRWMKZVNO-UPJWGTAASA-N 1 1 302.371 -1.418 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192590838 781973082 /nfs/dbraw/zinc/97/30/82/781973082.db2.gz MTAIWROGOHRRKP-GRYCIOLGSA-N 1 1 315.370 -1.071 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192590838 781973092 /nfs/dbraw/zinc/97/30/92/781973092.db2.gz MTAIWROGOHRRKP-GRYCIOLGSA-N 1 1 315.370 -1.071 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)c(=O)n(C)c1=O ZINC001192632389 781975835 /nfs/dbraw/zinc/97/58/35/781975835.db2.gz PKVSVJCNOGBERV-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO C[C@H](C(=O)NC1CC(NS(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000669924690 545791047 /nfs/dbraw/zinc/79/10/47/545791047.db2.gz TUJZPBODLVBOJK-VOMCLLRMSA-N 1 1 318.443 -1.181 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192640450 781976878 /nfs/dbraw/zinc/97/68/78/781976878.db2.gz YOWJOQFBRYZUPZ-QJPTWQEYSA-N 1 1 312.370 -1.489 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001192702119 781977714 /nfs/dbraw/zinc/97/77/14/781977714.db2.gz JMZJDXJBNDQSGA-QJPTWQEYSA-N 1 1 316.402 -1.372 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1)C(N)=O ZINC001192688251 781977801 /nfs/dbraw/zinc/97/78/01/781977801.db2.gz ROGHQPFFZJLUPN-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1)OC ZINC001192701966 781978453 /nfs/dbraw/zinc/97/84/53/781978453.db2.gz DVKCEKBQALMSRL-QJPTWQEYSA-N 1 1 316.402 -1.108 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001192666695 781979020 /nfs/dbraw/zinc/97/90/20/781979020.db2.gz VYDCIGNSVWWCGE-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001192666695 781979025 /nfs/dbraw/zinc/97/90/25/781979025.db2.gz VYDCIGNSVWWCGE-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]2O)[nH]1 ZINC001192751800 781980762 /nfs/dbraw/zinc/98/07/62/781980762.db2.gz LPIKKNCCLSTGRS-MVWJERBFSA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)n[nH]1 ZINC001192751800 781980771 /nfs/dbraw/zinc/98/07/71/781980771.db2.gz LPIKKNCCLSTGRS-MVWJERBFSA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]2O)n[nH]1 ZINC001192751800 781980778 /nfs/dbraw/zinc/98/07/78/781980778.db2.gz LPIKKNCCLSTGRS-MVWJERBFSA-N 1 1 311.386 -1.022 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)S1(=O)=O ZINC001192795378 781982085 /nfs/dbraw/zinc/98/20/85/781982085.db2.gz XUPSAHYPQQJCDV-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001192749344 781982299 /nfs/dbraw/zinc/98/22/99/781982299.db2.gz NDHLSLHXRMFGLC-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC1(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001192834886 781983557 /nfs/dbraw/zinc/98/35/57/781983557.db2.gz JMOLGMWJVMIMNU-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001192844965 781984083 /nfs/dbraw/zinc/98/40/83/781984083.db2.gz DETGHPLRANDZAT-GHMZBOCLSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192838258 781984311 /nfs/dbraw/zinc/98/43/11/781984311.db2.gz XGIMYTSSOPRBJQ-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001192838258 781984315 /nfs/dbraw/zinc/98/43/15/781984315.db2.gz XGIMYTSSOPRBJQ-MRVPVSSYSA-N 1 1 309.330 -1.844 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827318 781984420 /nfs/dbraw/zinc/98/44/20/781984420.db2.gz WASZJENRXYPOIY-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192827318 781984435 /nfs/dbraw/zinc/98/44/35/781984435.db2.gz WASZJENRXYPOIY-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192836674 781984482 /nfs/dbraw/zinc/98/44/82/781984482.db2.gz BCCJRKVXQHWKLI-ONGXEEELSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001192889197 781985733 /nfs/dbraw/zinc/98/57/33/781985733.db2.gz SPOUOTKRDMWAAN-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001192889197 781985741 /nfs/dbraw/zinc/98/57/41/781985741.db2.gz SPOUOTKRDMWAAN-SECBINFHSA-N 1 1 311.342 -2.183 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001192925065 781987450 /nfs/dbraw/zinc/98/74/50/781987450.db2.gz SJJYUVHJOIUPGL-GHMZBOCLSA-N 1 1 305.400 -1.503 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923837 781987625 /nfs/dbraw/zinc/98/76/25/781987625.db2.gz NQGSHSUNWOOVQG-QMMMGPOBSA-N 1 1 309.330 -1.593 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001192923837 781987628 /nfs/dbraw/zinc/98/76/28/781987628.db2.gz NQGSHSUNWOOVQG-QMMMGPOBSA-N 1 1 309.330 -1.593 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001192930775 781987967 /nfs/dbraw/zinc/98/79/67/781987967.db2.gz ANXGQOPFPYMAET-YNEHKIRRSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)NC(N)=O ZINC001192944907 781988189 /nfs/dbraw/zinc/98/81/89/781988189.db2.gz VBAVLZRZWPBIEZ-QJPTWQEYSA-N 1 1 324.385 -1.509 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001192924523 781989095 /nfs/dbraw/zinc/98/90/95/781989095.db2.gz JZRRECASQYOBRK-GHMZBOCLSA-N 1 1 307.416 -1.113 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001192879018 781989260 /nfs/dbraw/zinc/98/92/60/781989260.db2.gz RWXQVNARMNJCJW-NEPJUHHUSA-N 1 1 314.386 -1.718 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001192931621 781989717 /nfs/dbraw/zinc/98/97/17/781989717.db2.gz LSODGLZZVPKVOF-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192932162 781990957 /nfs/dbraw/zinc/99/09/57/781990957.db2.gz QRRNJQFFCBMSIU-YNEHKIRRSA-N 1 1 318.370 -2.038 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192932162 781990969 /nfs/dbraw/zinc/99/09/69/781990969.db2.gz QRRNJQFFCBMSIU-YNEHKIRRSA-N 1 1 318.370 -2.038 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001192940741 781991088 /nfs/dbraw/zinc/99/10/88/781991088.db2.gz VMRPUTZXIHDPJB-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)NC(N)=O ZINC001192940731 781991838 /nfs/dbraw/zinc/99/18/38/781991838.db2.gz UYJHFBSVIWAUSO-GMTAPVOTSA-N 1 1 318.374 -2.397 20 0 DAADMO CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005495 781992329 /nfs/dbraw/zinc/99/23/29/781992329.db2.gz OMCFAWIOONXZTH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193015933 781992583 /nfs/dbraw/zinc/99/25/83/781992583.db2.gz PFQACGWPPHFJRT-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193015933 781992592 /nfs/dbraw/zinc/99/25/92/781992592.db2.gz PFQACGWPPHFJRT-GHMZBOCLSA-N 1 1 314.346 -2.503 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026980 781992702 /nfs/dbraw/zinc/99/27/02/781992702.db2.gz NTELLDQFTSWPKZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193026980 781992707 /nfs/dbraw/zinc/99/27/07/781992707.db2.gz NTELLDQFTSWPKZ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005771 781992984 /nfs/dbraw/zinc/99/29/84/781992984.db2.gz YKOAXNIDISMBJH-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027307 781993560 /nfs/dbraw/zinc/99/35/60/781993560.db2.gz PHJLMVHOSNTRKO-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193027307 781993564 /nfs/dbraw/zinc/99/35/64/781993564.db2.gz PHJLMVHOSNTRKO-VIFPVBQESA-N 1 1 324.345 -2.209 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193088021 781994767 /nfs/dbraw/zinc/99/47/67/781994767.db2.gz OUZPJXQPAZOVBR-QMMMGPOBSA-N 1 1 324.303 -1.056 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001193088021 781994775 /nfs/dbraw/zinc/99/47/75/781994775.db2.gz OUZPJXQPAZOVBR-QMMMGPOBSA-N 1 1 324.303 -1.056 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2)C1 ZINC001193174857 781994892 /nfs/dbraw/zinc/99/48/92/781994892.db2.gz VKQCBBCEHJPLLU-YUSALJHKSA-N 1 1 311.338 -1.449 20 0 DAADMO CCn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001193109182 781994977 /nfs/dbraw/zinc/99/49/77/781994977.db2.gz FGNAISAMUJLVNH-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001193109182 781994984 /nfs/dbraw/zinc/99/49/84/781994984.db2.gz FGNAISAMUJLVNH-VIFPVBQESA-N 1 1 323.357 -1.361 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@](O)(C(N)=O)C2)C[C@@H](C)O1 ZINC000346561867 545797295 /nfs/dbraw/zinc/79/72/95/545797295.db2.gz BTUPMNYHLUSBMA-RGCMKSIDSA-N 1 1 315.414 -1.231 20 0 DAADMO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cnn(C)c1 ZINC000273278867 130102051 /nfs/dbraw/zinc/10/20/51/130102051.db2.gz IGOOCIBLHKYNGC-MRVPVSSYSA-N 1 1 320.353 -1.067 20 0 DAADMO Cn1nccc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000274126158 130208441 /nfs/dbraw/zinc/20/84/41/130208441.db2.gz GUHRWJPOMOQXTN-UHFFFAOYSA-N 1 1 315.399 -1.138 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000274382663 130229916 /nfs/dbraw/zinc/22/99/16/130229916.db2.gz JGSZSLSDVHNDBU-UHFFFAOYSA-N 1 1 318.399 -1.284 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000274682916 130253455 /nfs/dbraw/zinc/25/34/55/130253455.db2.gz RXDBWWLDESKFLY-UHFFFAOYSA-N 1 1 312.374 -1.247 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)nn1 ZINC000275105350 130291532 /nfs/dbraw/zinc/29/15/32/130291532.db2.gz APBKCIMKNSTLNC-JTQLQIEISA-N 1 1 311.342 -1.410 20 0 DAADMO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cn[nH]c1 ZINC000275247430 130299210 /nfs/dbraw/zinc/29/92/10/130299210.db2.gz YDAMQWLSRQVFNJ-ZETCQYMHSA-N 1 1 306.326 -1.077 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)C1 ZINC000275237916 130300169 /nfs/dbraw/zinc/30/01/69/130300169.db2.gz NSEJALZRTLSBRO-MNOVXSKESA-N 1 1 310.354 -1.138 20 0 DAADMO COC(=O)c1cn(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)nn1 ZINC000275378264 130310574 /nfs/dbraw/zinc/31/05/74/130310574.db2.gz APBKCIMKNSTLNC-SNVBAGLBSA-N 1 1 311.342 -1.410 20 0 DAADMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000275689457 130364655 /nfs/dbraw/zinc/36/46/55/130364655.db2.gz QLMOIHJBRZMIRK-UHFFFAOYSA-N 1 1 318.399 -1.020 20 0 DAADMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000275689457 130364659 /nfs/dbraw/zinc/36/46/59/130364659.db2.gz QLMOIHJBRZMIRK-UHFFFAOYSA-N 1 1 318.399 -1.020 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000285780121 131202056 /nfs/dbraw/zinc/20/20/56/131202056.db2.gz FOWMFHIHQHYIEZ-QWRGUYRKSA-N 1 1 312.370 -1.102 20 0 DAADMO C[C@H](CO)N(C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340231127 131237205 /nfs/dbraw/zinc/23/72/05/131237205.db2.gz QGQJXUHBZIOSRG-LLVKDONJSA-N 1 1 314.386 -1.894 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000286480446 131237337 /nfs/dbraw/zinc/23/73/37/131237337.db2.gz UPFZUWOTJLJJBO-QWHCGFSZSA-N 1 1 307.350 -1.150 20 0 DAADMO NC(=O)[C@H](CO)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000286480446 131237339 /nfs/dbraw/zinc/23/73/39/131237339.db2.gz UPFZUWOTJLJJBO-QWHCGFSZSA-N 1 1 307.350 -1.150 20 0 DAADMO C[C@H](CNC(=O)CCn1ncn(C)c1=O)CN1CC[NH+](C)CC1 ZINC000340299631 131351200 /nfs/dbraw/zinc/35/12/00/131351200.db2.gz ICVPZJSSLUIVIU-CYBMUJFWSA-N 1 1 324.429 -1.028 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001193095645 781995349 /nfs/dbraw/zinc/99/53/49/781995349.db2.gz MNFXKRVKWGVFPK-JLNYLFASSA-N 1 1 314.382 -1.153 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001193095645 781995357 /nfs/dbraw/zinc/99/53/57/781995357.db2.gz MNFXKRVKWGVFPK-JLNYLFASSA-N 1 1 314.382 -1.153 20 0 DAADMO C[N@H+]([C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@H]1CCNC1=O ZINC001193120907 781995455 /nfs/dbraw/zinc/99/54/55/781995455.db2.gz ACWOAKFADTXKFQ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)[C@H]1CCNC1=O ZINC001193120907 781995456 /nfs/dbraw/zinc/99/54/56/781995456.db2.gz ACWOAKFADTXKFQ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193120906 781995525 /nfs/dbraw/zinc/99/55/25/781995525.db2.gz ACWOAKFADTXKFQ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001193120906 781995534 /nfs/dbraw/zinc/99/55/34/781995534.db2.gz ACWOAKFADTXKFQ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[N@@H+](C)CC1 ZINC000298644596 132071875 /nfs/dbraw/zinc/07/18/75/132071875.db2.gz UKLVTFSVQKMKHS-SNVBAGLBSA-N 1 1 323.397 -1.125 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[N@@H+](C)CC1 ZINC000298644594 132072105 /nfs/dbraw/zinc/07/21/05/132072105.db2.gz UKLVTFSVQKMKHS-JTQLQIEISA-N 1 1 323.397 -1.125 20 0 DAADMO NC(=O)[C@]1(O)CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000320250056 132138478 /nfs/dbraw/zinc/13/84/78/132138478.db2.gz PNJUEZBXKYNSQM-AWEZNQCLSA-N 1 1 305.338 -1.192 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340727506 132167298 /nfs/dbraw/zinc/16/72/98/132167298.db2.gz IVSCAIKBKBKQBH-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CC[C@H]1COCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065823 545813244 /nfs/dbraw/zinc/81/32/44/545813244.db2.gz NUMINASSOLOWQH-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001193145477 781996975 /nfs/dbraw/zinc/99/69/75/781996975.db2.gz KERXNTAILYINQF-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001193145477 781996981 /nfs/dbraw/zinc/99/69/81/781996981.db2.gz KERXNTAILYINQF-GFCCVEGCSA-N 1 1 321.381 -1.088 20 0 DAADMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193166086 781997098 /nfs/dbraw/zinc/99/70/98/781997098.db2.gz JKTFWRFTPVPZCK-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193166086 781997087 /nfs/dbraw/zinc/99/70/87/781997087.db2.gz JKTFWRFTPVPZCK-CYZMBNFOSA-N 1 1 313.398 -1.165 20 0 DAADMO CC[NH+](CC)CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656281330 545818095 /nfs/dbraw/zinc/81/80/95/545818095.db2.gz BZBIFEXXICZEHC-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001193141885 781997420 /nfs/dbraw/zinc/99/74/20/781997420.db2.gz WRPYLTRYMALSRS-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001193174937 781997446 /nfs/dbraw/zinc/99/74/46/781997446.db2.gz WCNGSOTXTGHZCQ-VXGBXAGGSA-N 1 1 311.338 -1.447 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656303839 545820908 /nfs/dbraw/zinc/82/09/08/545820908.db2.gz NLUKJOMLLVVFPR-QWHCGFSZSA-N 1 1 310.398 -1.526 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656303839 545820913 /nfs/dbraw/zinc/82/09/13/545820913.db2.gz NLUKJOMLLVVFPR-QWHCGFSZSA-N 1 1 310.398 -1.526 20 0 DAADMO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627393161 545828866 /nfs/dbraw/zinc/82/88/66/545828866.db2.gz QFJDSDMLCYTHSX-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627393161 545828870 /nfs/dbraw/zinc/82/88/70/545828870.db2.gz QFJDSDMLCYTHSX-GFCCVEGCSA-N 1 1 300.403 -1.061 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627380817 545829268 /nfs/dbraw/zinc/82/92/68/545829268.db2.gz ZLTIHCKXVLWJBQ-STQMWFEESA-N 1 1 310.398 -1.309 20 0 DAADMO O=C(NC[C@H]1COCCN1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000627380817 545829271 /nfs/dbraw/zinc/82/92/71/545829271.db2.gz ZLTIHCKXVLWJBQ-STQMWFEESA-N 1 1 310.398 -1.309 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193140792 781998127 /nfs/dbraw/zinc/99/81/27/781998127.db2.gz ICOLGNYIQKUXKP-IVZWLZJFSA-N 1 1 309.388 -2.532 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193140792 781998135 /nfs/dbraw/zinc/99/81/35/781998135.db2.gz ICOLGNYIQKUXKP-IVZWLZJFSA-N 1 1 309.388 -2.532 20 0 DAADMO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627384809 545829489 /nfs/dbraw/zinc/82/94/89/545829489.db2.gz PFPBWPUODFGANK-GFCCVEGCSA-N 1 1 316.402 -1.825 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627384809 545829493 /nfs/dbraw/zinc/82/94/93/545829493.db2.gz PFPBWPUODFGANK-GFCCVEGCSA-N 1 1 316.402 -1.825 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)[nH]2)[C@@H]2NCN[C@@H]21 ZINC001193342486 782000148 /nfs/dbraw/zinc/00/01/48/782000148.db2.gz QYYJTTJMPFRCHR-HLTSFMKQSA-N 1 1 315.175 -1.090 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193327736 782000284 /nfs/dbraw/zinc/00/02/84/782000284.db2.gz NDFJMQNWJWMARA-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001193327736 782000294 /nfs/dbraw/zinc/00/02/94/782000294.db2.gz NDFJMQNWJWMARA-CHWSQXEVSA-N 1 1 309.370 -1.134 20 0 DAADMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000666911065 545858050 /nfs/dbraw/zinc/85/80/50/545858050.db2.gz NSPSWZKPSOYYMY-WDEREUQCSA-N 1 1 304.416 -1.030 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000671960702 545862354 /nfs/dbraw/zinc/86/23/54/545862354.db2.gz GXEYQQZQASKBMR-NWDGAFQWSA-N 1 1 301.387 -1.090 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001193447115 782001810 /nfs/dbraw/zinc/00/18/10/782001810.db2.gz JSNSBEGENZQOCY-IVZWLZJFSA-N 1 1 309.388 -2.532 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2nnnn2C)[C@@H](C)C1 ZINC000673000092 545865003 /nfs/dbraw/zinc/86/50/03/545865003.db2.gz MHXBFFJTWVZUIE-WDEREUQCSA-N 1 1 311.390 -1.151 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193373250 782002583 /nfs/dbraw/zinc/00/25/83/782002583.db2.gz LYWQXGXALIVKGB-RKDXNWHRSA-N 1 1 323.357 -1.537 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)C(C)C)C1 ZINC001193437161 782002701 /nfs/dbraw/zinc/00/27/01/782002701.db2.gz IHZNJVXEYQMZIG-VXGBXAGGSA-N 1 1 301.387 -1.092 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193446851 782002963 /nfs/dbraw/zinc/00/29/63/782002963.db2.gz AIKRHNPHQAQLRM-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1O ZINC001193447808 782005346 /nfs/dbraw/zinc/00/53/46/782005346.db2.gz WXBLFPCHLMUENO-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487508 782006652 /nfs/dbraw/zinc/00/66/52/782006652.db2.gz AHLIJIQYBJCZKG-RYUDHWBXSA-N 1 1 300.403 -1.029 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193483062 782006993 /nfs/dbraw/zinc/00/69/93/782006993.db2.gz UEIGYUJIDMXGLO-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001193483006 782007214 /nfs/dbraw/zinc/00/72/14/782007214.db2.gz QOYBCOZXEUZMAN-GHMZBOCLSA-N 1 1 305.350 -1.388 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001193543878 782007828 /nfs/dbraw/zinc/00/78/28/782007828.db2.gz BQJJAENJVMFTAP-GMTAPVOTSA-N 1 1 300.359 -1.887 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1O ZINC001193455384 782008432 /nfs/dbraw/zinc/00/84/32/782008432.db2.gz BCFFVSVRMAQFJJ-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001193527608 782008745 /nfs/dbraw/zinc/00/87/45/782008745.db2.gz IKLDUTZTYODOBB-IJLUTSLNSA-N 1 1 314.386 -1.497 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193504668 782009205 /nfs/dbraw/zinc/00/92/05/782009205.db2.gz AEUSICNWISACDO-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001193545173 782010042 /nfs/dbraw/zinc/01/00/42/782010042.db2.gz UKYIPMDRTRNDNS-VXGBXAGGSA-N 1 1 314.386 -1.497 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1O ZINC001193506967 782010148 /nfs/dbraw/zinc/01/01/48/782010148.db2.gz RZUHUOMBJDTTFP-QJPTWQEYSA-N 1 1 317.386 -1.665 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001193637914 782010503 /nfs/dbraw/zinc/01/05/03/782010503.db2.gz MDRRWZLQXAWNRX-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001193637914 782010513 /nfs/dbraw/zinc/01/05/13/782010513.db2.gz MDRRWZLQXAWNRX-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295561 409328714 /nfs/dbraw/zinc/32/87/14/409328714.db2.gz DDLVTEBZCWUYEC-QJPTWQEYSA-N 1 1 319.427 -1.162 20 0 DAADMO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299085 409329146 /nfs/dbraw/zinc/32/91/46/409329146.db2.gz DNEKZOKVQRWVRR-TUAOUCFPSA-N 1 1 317.411 -1.312 20 0 DAADMO COCCN1C[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655299369 409329281 /nfs/dbraw/zinc/32/92/81/409329281.db2.gz IEMFSLRCWRBZAF-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO [NH3+][C@@H]1CCCCN(CC(=O)N2CC[C@H]3OCCN[C@H]3C2)C1=O ZINC000648136026 409322374 /nfs/dbraw/zinc/32/23/74/409322374.db2.gz LVORBKZJWGNHJB-FRRDWIJNSA-N 1 1 310.398 -1.085 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000650110996 409322498 /nfs/dbraw/zinc/32/24/98/409322498.db2.gz QNIOFHFLSMPBFZ-GFCCVEGCSA-N 1 1 322.369 -1.088 20 0 DAADMO CNC(=O)Cn1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000650110996 409322504 /nfs/dbraw/zinc/32/25/04/409322504.db2.gz QNIOFHFLSMPBFZ-GFCCVEGCSA-N 1 1 322.369 -1.088 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000647067230 409325676 /nfs/dbraw/zinc/32/56/76/409325676.db2.gz TVSCTHPMXKWGKV-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO CC(=O)NCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000647067230 409325679 /nfs/dbraw/zinc/32/56/79/409325679.db2.gz TVSCTHPMXKWGKV-JQWIXIFHSA-N 1 1 314.386 -1.584 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)C1 ZINC000647029193 409326895 /nfs/dbraw/zinc/32/68/95/409326895.db2.gz XZTWFHUJVADSIN-MNOVXSKESA-N 1 1 312.370 -1.530 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000647067105 409327117 /nfs/dbraw/zinc/32/71/17/409327117.db2.gz LMHNDRMWVKABJR-DCAQKATOSA-N 1 1 312.370 -1.532 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000647067105 409327120 /nfs/dbraw/zinc/32/71/20/409327120.db2.gz LMHNDRMWVKABJR-DCAQKATOSA-N 1 1 312.370 -1.532 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)C1 ZINC000647029192 409327173 /nfs/dbraw/zinc/32/71/73/409327173.db2.gz XZTWFHUJVADSIN-GHMZBOCLSA-N 1 1 312.370 -1.530 20 0 DAADMO Cc1nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c[nH]1 ZINC000647092164 409328137 /nfs/dbraw/zinc/32/81/37/409328137.db2.gz MWSSYZPJSKQLRX-UHFFFAOYSA-N 1 1 313.383 -1.222 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000655289496 409328284 /nfs/dbraw/zinc/32/82/84/409328284.db2.gz QIWPNCSRRVNUKR-ZDUSSCGKSA-N 1 1 319.413 -1.146 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651178689 409361142 /nfs/dbraw/zinc/36/11/42/409361142.db2.gz VARPKFCCAABNHC-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)C[NH+]1CCOCC1 ZINC000651366589 409364805 /nfs/dbraw/zinc/36/48/05/409364805.db2.gz CNECHOWXMMAXPW-WDEREUQCSA-N 1 1 305.400 -1.237 20 0 DAADMO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000363146834 409367394 /nfs/dbraw/zinc/36/73/94/409367394.db2.gz ICSHUXLPPYGNLG-NWDGAFQWSA-N 1 1 316.427 -1.474 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000651544569 409370151 /nfs/dbraw/zinc/37/01/51/409370151.db2.gz DKFFVNPHUBHXKV-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@@H+]1C[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 ZINC000644813762 409373182 /nfs/dbraw/zinc/37/31/82/409373182.db2.gz ICUZSSISWMDKCE-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO C[N@H+]1C[C@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 ZINC000644813762 409373183 /nfs/dbraw/zinc/37/31/83/409373183.db2.gz ICUZSSISWMDKCE-NEPJUHHUSA-N 1 1 301.412 -1.121 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)n1 ZINC000651629345 409374146 /nfs/dbraw/zinc/37/41/46/409374146.db2.gz UAQSSENSOCAMKQ-VHSXEESVSA-N 1 1 323.353 -1.319 20 0 DAADMO COc1cncc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000651629345 409374153 /nfs/dbraw/zinc/37/41/53/409374153.db2.gz UAQSSENSOCAMKQ-VHSXEESVSA-N 1 1 323.353 -1.319 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000408140515 409374909 /nfs/dbraw/zinc/37/49/09/409374909.db2.gz SHNOXSLFWZMHBZ-NEPJUHHUSA-N 1 1 314.386 -1.184 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[N@@H+]1CCO ZINC000651781196 409376187 /nfs/dbraw/zinc/37/61/87/409376187.db2.gz DSCFNGJCCKQVSN-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCC3)CC[N@H+]1CCO ZINC000651781196 409376194 /nfs/dbraw/zinc/37/61/94/409376194.db2.gz DSCFNGJCCKQVSN-GFCCVEGCSA-N 1 1 323.397 -1.094 20 0 DAADMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)C1 ZINC000651773552 409377078 /nfs/dbraw/zinc/37/70/78/409377078.db2.gz NWXJTXSHTQLVOT-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)C1 ZINC000651773552 409377086 /nfs/dbraw/zinc/37/70/86/409377086.db2.gz NWXJTXSHTQLVOT-DCAQKATOSA-N 1 1 305.400 -1.408 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647709006 409377370 /nfs/dbraw/zinc/37/73/70/409377370.db2.gz QPYOLKPJMHLMJY-GHMZBOCLSA-N 1 1 324.381 -1.016 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647709007 409377731 /nfs/dbraw/zinc/37/77/31/409377731.db2.gz QPYOLKPJMHLMJY-MNOVXSKESA-N 1 1 324.381 -1.016 20 0 DAADMO C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(C)(C)O ZINC000651848438 409379752 /nfs/dbraw/zinc/37/97/52/409379752.db2.gz RODNFXBZJUPWRG-QWRGUYRKSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000651842334 409381236 /nfs/dbraw/zinc/38/12/36/409381236.db2.gz QVAZRKDNAZHEDQ-SNVBAGLBSA-N 1 1 324.385 -1.319 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H](C)[N@H+]1CCO ZINC000652401694 409382434 /nfs/dbraw/zinc/38/24/34/409382434.db2.gz XFCJUHMYXDRHKZ-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H](C)[N@@H+]1CCO ZINC000652401694 409382439 /nfs/dbraw/zinc/38/24/39/409382439.db2.gz XFCJUHMYXDRHKZ-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(=O)n(C)c(=O)n1C ZINC000647871579 409400739 /nfs/dbraw/zinc/40/07/39/409400739.db2.gz GWXNXCASEGFCOP-LLVKDONJSA-N 1 1 312.370 -1.787 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC000652390413 409383209 /nfs/dbraw/zinc/38/32/09/409383209.db2.gz OMHHJMWITUWJTJ-MNOVXSKESA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)N1 ZINC000652379874 409383389 /nfs/dbraw/zinc/38/33/89/409383389.db2.gz RTAOTQNLWZLFLY-WDEREUQCSA-N 1 1 305.400 -1.359 20 0 DAADMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)N1 ZINC000652379873 409384262 /nfs/dbraw/zinc/38/42/62/409384262.db2.gz RTAOTQNLWZLFLY-QWRGUYRKSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458768 409385164 /nfs/dbraw/zinc/38/51/64/409385164.db2.gz ZGSRYOLKYIDJIP-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000652458768 409385171 /nfs/dbraw/zinc/38/51/71/409385171.db2.gz ZGSRYOLKYIDJIP-VHSXEESVSA-N 1 1 310.358 -1.710 20 0 DAADMO O=C(CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccon1 ZINC000647909273 409400834 /nfs/dbraw/zinc/40/08/34/409400834.db2.gz PACLIFOSPDEHDA-NSHDSACASA-N 1 1 307.354 -1.069 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(=O)n(C)c1=O ZINC000661704510 409385601 /nfs/dbraw/zinc/38/56/01/409385601.db2.gz ILFRCQLVXGVCOK-VFZGTOFNSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@H]3COC[C@]3(C)C2)c(=O)n(C)c1=O ZINC000661704510 409385605 /nfs/dbraw/zinc/38/56/05/409385605.db2.gz ILFRCQLVXGVCOK-VFZGTOFNSA-N 1 1 322.365 -1.183 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)C[N@@H+]1CCO ZINC000652458423 409386918 /nfs/dbraw/zinc/38/69/18/409386918.db2.gz DXBREXQEFPFGDM-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)C[N@H+]1CCO ZINC000652458423 409386926 /nfs/dbraw/zinc/38/69/26/409386926.db2.gz DXBREXQEFPFGDM-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000644885462 409388820 /nfs/dbraw/zinc/38/88/20/409388820.db2.gz OBOGXEYWXHWHOU-KBPBESRZSA-N 1 1 312.414 -1.814 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000337029934 409389647 /nfs/dbraw/zinc/38/96/47/409389647.db2.gz CRHPENFIWAQSSS-MISXGVKJSA-N 1 1 300.355 -1.005 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000339311364 409393321 /nfs/dbraw/zinc/39/33/21/409393321.db2.gz VSPFTKYPNMRSNL-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410864200 409395519 /nfs/dbraw/zinc/39/55/19/409395519.db2.gz KRCCQVSKYMOBDP-MROQNXINSA-N 1 1 313.398 -1.261 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408440511 409395661 /nfs/dbraw/zinc/39/56/61/409395661.db2.gz COXIRCBUDIKBIJ-ZMLRMANQSA-N 1 1 300.355 -1.176 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408440511 409395668 /nfs/dbraw/zinc/39/56/68/409395668.db2.gz COXIRCBUDIKBIJ-ZMLRMANQSA-N 1 1 300.355 -1.176 20 0 DAADMO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000408440508 409395753 /nfs/dbraw/zinc/39/57/53/409395753.db2.gz COXIRCBUDIKBIJ-DLOVCJGASA-N 1 1 300.355 -1.176 20 0 DAADMO COCCNc1nc(N[C@@H]2CC[C@H]2O)[nH+]c(N[C@@H]2CC[C@H]2O)n1 ZINC000425287938 409395989 /nfs/dbraw/zinc/39/59/89/409395989.db2.gz SHNVTKLBCRPWJC-GWOFURMSSA-N 1 1 324.385 -1.934 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000408436585 409396134 /nfs/dbraw/zinc/39/61/34/409396134.db2.gz DVKBMXRLCRQHSF-NSHDSACASA-N 1 1 320.415 -2.250 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000408436585 409396139 /nfs/dbraw/zinc/39/61/39/409396139.db2.gz DVKBMXRLCRQHSF-NSHDSACASA-N 1 1 320.415 -2.250 20 0 DAADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000411025052 409396275 /nfs/dbraw/zinc/39/62/75/409396275.db2.gz ALWSNWRCKBUONN-RWMBFGLXSA-N 1 1 313.398 -1.259 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2COC[C@H]2OC)CC1 ZINC000645136179 409396615 /nfs/dbraw/zinc/39/66/15/409396615.db2.gz XIYJGMUSNOGPCI-VXGBXAGGSA-N 1 1 314.386 -1.090 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000647822714 409397686 /nfs/dbraw/zinc/39/76/86/409397686.db2.gz XOABGVGLGIOYHQ-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000357777616 409334217 /nfs/dbraw/zinc/33/42/17/409334217.db2.gz FLQZZFKJOBUGLF-NSHDSACASA-N 1 1 321.447 -1.577 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CO)CC2)c(=O)n(C)c1=O ZINC000293234552 409334734 /nfs/dbraw/zinc/33/47/34/409334734.db2.gz SLMILHDDCWYOCL-JTQLQIEISA-N 1 1 324.381 -1.057 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CO)CC2)c(=O)n(C)c1=O ZINC000293234552 409334741 /nfs/dbraw/zinc/33/47/41/409334741.db2.gz SLMILHDDCWYOCL-JTQLQIEISA-N 1 1 324.381 -1.057 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000344230083 409399098 /nfs/dbraw/zinc/39/90/98/409399098.db2.gz XTCPNAAAGRYEKX-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000344230083 409399102 /nfs/dbraw/zinc/39/91/02/409399102.db2.gz XTCPNAAAGRYEKX-UHFFFAOYSA-N 1 1 312.414 -1.059 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000153568075 409339382 /nfs/dbraw/zinc/33/93/82/409339382.db2.gz MZLPGKFIBFHRRN-OAHLLOKOSA-N 1 1 322.365 -1.039 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000153568075 409339388 /nfs/dbraw/zinc/33/93/88/409339388.db2.gz MZLPGKFIBFHRRN-OAHLLOKOSA-N 1 1 322.365 -1.039 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000655402693 409340115 /nfs/dbraw/zinc/34/01/15/409340115.db2.gz LTFVUDYBPNHDQM-UHFFFAOYSA-N 1 1 324.385 -1.829 20 0 DAADMO CCN1CCN(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)C(=O)C1=O ZINC000449578038 409342587 /nfs/dbraw/zinc/34/25/87/409342587.db2.gz YWVCIUSVPDSAOC-AWEZNQCLSA-N 1 1 314.361 -1.163 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648290514 409352410 /nfs/dbraw/zinc/35/24/10/409352410.db2.gz BBOFXBRPWLKWNU-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648290514 409352416 /nfs/dbraw/zinc/35/24/16/409352416.db2.gz BBOFXBRPWLKWNU-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CCS(=O)(=O)NCC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000407950494 409353486 /nfs/dbraw/zinc/35/34/86/409353486.db2.gz IXUGZKPEMRGMHR-UHFFFAOYSA-N 1 1 318.399 -1.058 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648290511 409353945 /nfs/dbraw/zinc/35/39/45/409353945.db2.gz BBOFXBRPWLKWNU-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000648290511 409353947 /nfs/dbraw/zinc/35/39/47/409353947.db2.gz BBOFXBRPWLKWNU-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000351637466 409459532 /nfs/dbraw/zinc/45/95/32/409459532.db2.gz VLWNCAMFQVWRIK-MFKMUULPSA-N 1 1 301.343 -1.778 20 0 DAADMO COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)C(C)C ZINC000351637466 409459536 /nfs/dbraw/zinc/45/95/36/409459536.db2.gz VLWNCAMFQVWRIK-MFKMUULPSA-N 1 1 301.343 -1.778 20 0 DAADMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351648216 409459848 /nfs/dbraw/zinc/45/98/48/409459848.db2.gz SOVQBNKHTBSULR-ISVAXAHUSA-N 1 1 300.359 -1.079 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000265010101 409401452 /nfs/dbraw/zinc/40/14/52/409401452.db2.gz MFQBVEAKBOTGFX-UHFFFAOYSA-N 1 1 300.315 -1.899 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272618892 409401505 /nfs/dbraw/zinc/40/15/05/409401505.db2.gz VXUIQDNXACDQMC-LLVKDONJSA-N 1 1 323.401 -1.316 20 0 DAADMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CN(C)C)CC1=O ZINC000348837063 409402129 /nfs/dbraw/zinc/40/21/29/409402129.db2.gz GGDFGTMEVCDFAT-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN(C)C)CC1=O ZINC000348837063 409402133 /nfs/dbraw/zinc/40/21/33/409402133.db2.gz GGDFGTMEVCDFAT-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)[C@H](C)N1CCNCC1=O ZINC000638121571 409404313 /nfs/dbraw/zinc/40/43/13/409404313.db2.gz GJXPSXFGZGGOGY-LBPRGKRZSA-N 1 1 300.403 -1.109 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452569878 409407154 /nfs/dbraw/zinc/40/71/54/409407154.db2.gz FLLWSAJSKUCIOW-SNVBAGLBSA-N 1 1 304.416 -1.017 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000653392649 409408234 /nfs/dbraw/zinc/40/82/34/409408234.db2.gz IAQVXYDMKIVWNH-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000340925458 409410241 /nfs/dbraw/zinc/41/02/41/409410241.db2.gz PRYUFGGXWUAIHE-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000340925458 409410245 /nfs/dbraw/zinc/41/02/45/409410245.db2.gz PRYUFGGXWUAIHE-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000340931845 409410627 /nfs/dbraw/zinc/41/06/27/409410627.db2.gz OWEKPPQRROORKG-QWHCGFSZSA-N 1 1 312.414 -1.326 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000341715356 409413738 /nfs/dbraw/zinc/41/37/38/409413738.db2.gz FTPFNWYTNHFMSS-RYUDHWBXSA-N 1 1 321.385 -1.458 20 0 DAADMO Cn1cc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000328972835 409416390 /nfs/dbraw/zinc/41/63/90/409416390.db2.gz VOEWAAHTQMHWOW-QWHCGFSZSA-N 1 1 308.382 -1.011 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000330453578 409416454 /nfs/dbraw/zinc/41/64/54/409416454.db2.gz LLQDHMXPEBFMGK-NSHDSACASA-N 1 1 322.431 -1.487 20 0 DAADMO COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351609220 409460401 /nfs/dbraw/zinc/46/04/01/409460401.db2.gz KIMZDBOSDWQMER-RYUDHWBXSA-N 1 1 320.411 -1.287 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000330549272 409418316 /nfs/dbraw/zinc/41/83/16/409418316.db2.gz RHXCPJNWZJGQMX-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000330549272 409418325 /nfs/dbraw/zinc/41/83/25/409418325.db2.gz RHXCPJNWZJGQMX-STQMWFEESA-N 1 1 301.387 -1.532 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[NH+](CCO)CC1 ZINC000330507651 409418577 /nfs/dbraw/zinc/41/85/77/409418577.db2.gz IEFGAHZUDHKNHS-UHFFFAOYSA-N 1 1 300.388 -1.171 20 0 DAADMO Cn1cc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000328972833 409418633 /nfs/dbraw/zinc/41/86/33/409418633.db2.gz VOEWAAHTQMHWOW-OLZOCXBDSA-N 1 1 308.382 -1.011 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827515 409460427 /nfs/dbraw/zinc/46/04/27/409460427.db2.gz LTSDBJUIFMYCSQ-HRDYMLBCSA-N 1 1 310.354 -1.450 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827515 409460428 /nfs/dbraw/zinc/46/04/28/409460428.db2.gz LTSDBJUIFMYCSQ-HRDYMLBCSA-N 1 1 310.354 -1.450 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000330366449 409418882 /nfs/dbraw/zinc/41/88/82/409418882.db2.gz RBFFGCBSPFGPEB-SECBINFHSA-N 1 1 304.372 -1.244 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000330366449 409418887 /nfs/dbraw/zinc/41/88/87/409418887.db2.gz RBFFGCBSPFGPEB-SECBINFHSA-N 1 1 304.372 -1.244 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000330453577 409418974 /nfs/dbraw/zinc/41/89/74/409418974.db2.gz LLQDHMXPEBFMGK-LLVKDONJSA-N 1 1 322.431 -1.487 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000330646351 409419769 /nfs/dbraw/zinc/41/97/69/409419769.db2.gz ZGFYUKVJLGMQBB-OLZOCXBDSA-N 1 1 321.443 -1.307 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330720578 409420365 /nfs/dbraw/zinc/42/03/65/409420365.db2.gz XBNRKXJRYBKPLT-HBNTYKKESA-N 1 1 307.416 -1.162 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000330625870 409421500 /nfs/dbraw/zinc/42/15/00/409421500.db2.gz IEHDFPAYWBSGHH-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000330625870 409421510 /nfs/dbraw/zinc/42/15/10/409421510.db2.gz IEHDFPAYWBSGHH-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330708333 409422101 /nfs/dbraw/zinc/42/21/01/409422101.db2.gz MZMAQMWHUZQDIV-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000343300230 409426596 /nfs/dbraw/zinc/42/65/96/409426596.db2.gz IAWDNBKBFYMPKR-ZDUSSCGKSA-N 1 1 311.430 -1.441 20 0 DAADMO CN1CCN(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000343300230 409426600 /nfs/dbraw/zinc/42/66/00/409426600.db2.gz IAWDNBKBFYMPKR-ZDUSSCGKSA-N 1 1 311.430 -1.441 20 0 DAADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000343289293 409427127 /nfs/dbraw/zinc/42/71/27/409427127.db2.gz SHEXOJZMNRVDDS-LLVKDONJSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(CCN1CCOCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343298451 409427875 /nfs/dbraw/zinc/42/78/75/409427875.db2.gz NNHLMMGOJKIHBY-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331346440 409428425 /nfs/dbraw/zinc/42/84/25/409428425.db2.gz WCIIAJKHHGGSPR-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO CNS(=O)(=O)NCC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331346440 409428429 /nfs/dbraw/zinc/42/84/29/409428429.db2.gz WCIIAJKHHGGSPR-UHFFFAOYSA-N 1 1 322.431 -1.391 20 0 DAADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000332571187 409460823 /nfs/dbraw/zinc/46/08/23/409460823.db2.gz BBQFVHHSZHEIPV-RYUDHWBXSA-N 1 1 308.382 -1.113 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000344494054 409432237 /nfs/dbraw/zinc/43/22/37/409432237.db2.gz FYDSKYDJJHWCNY-NSHDSACASA-N 1 1 301.343 -1.497 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000344494054 409432244 /nfs/dbraw/zinc/43/22/44/409432244.db2.gz FYDSKYDJJHWCNY-NSHDSACASA-N 1 1 301.343 -1.497 20 0 DAADMO C[C@@H]1C[N@H+](CCCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000345843435 409440356 /nfs/dbraw/zinc/44/03/56/409440356.db2.gz VCAYZSQKLWDYRO-SECBINFHSA-N 1 1 306.388 -1.073 20 0 DAADMO C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)CCN1S(C)(=O)=O ZINC000345843435 409440366 /nfs/dbraw/zinc/44/03/66/409440366.db2.gz VCAYZSQKLWDYRO-SECBINFHSA-N 1 1 306.388 -1.073 20 0 DAADMO CC[N@@H+](CCO)CCNS(=O)(=O)N(C)CCC(=O)OC ZINC000345967079 409440664 /nfs/dbraw/zinc/44/06/64/409440664.db2.gz JWIWGMTZLUUTAX-UHFFFAOYSA-N 1 1 311.404 -1.370 20 0 DAADMO COC[C@H](O)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000346343397 409440781 /nfs/dbraw/zinc/44/07/81/409440781.db2.gz CPZLBOQMDGYZET-GFCCVEGCSA-N 1 1 316.402 -1.153 20 0 DAADMO COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000346181232 409440800 /nfs/dbraw/zinc/44/08/00/409440800.db2.gz YEQBEBMLKIECSJ-SNVBAGLBSA-N 1 1 301.343 -1.809 20 0 DAADMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000346182764 409441010 /nfs/dbraw/zinc/44/10/10/409441010.db2.gz DIIMIYCPOFKREO-LLVKDONJSA-N 1 1 315.370 -1.467 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCSC1 ZINC000346760281 409442200 /nfs/dbraw/zinc/44/22/00/409442200.db2.gz CIPMWAAEHLFRGB-GHMZBOCLSA-N 1 1 300.428 -1.030 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)N1CCNC1=O ZINC000346706717 409443914 /nfs/dbraw/zinc/44/39/14/409443914.db2.gz BRXXDKSBSNXYMI-HNNXBMFYSA-N 1 1 324.381 -1.013 20 0 DAADMO C[C@@H]1OCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000347965338 409447498 /nfs/dbraw/zinc/44/74/98/409447498.db2.gz LEUATCFQCDIAKQ-RWMBFGLXSA-N 1 1 312.414 -1.016 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000347965319 409447648 /nfs/dbraw/zinc/44/76/48/409447648.db2.gz KZBOGXKQSPTTDV-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO CCCCN(CCO)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347968712 409447795 /nfs/dbraw/zinc/44/77/95/409447795.db2.gz OWMVNGXQHGYZSW-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000347810306 409448183 /nfs/dbraw/zinc/44/81/83/409448183.db2.gz SAEFDHURXILJCE-UHFFFAOYSA-N 1 1 307.416 -1.853 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN1CCS(=O)(=O)CC1 ZINC000347810306 409448185 /nfs/dbraw/zinc/44/81/85/409448185.db2.gz SAEFDHURXILJCE-UHFFFAOYSA-N 1 1 307.416 -1.853 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CCO)C1CCC1 ZINC000347970944 409448760 /nfs/dbraw/zinc/44/87/60/409448760.db2.gz QGWDKCYAOFOUCU-ZDUSSCGKSA-N 1 1 312.414 -1.278 20 0 DAADMO CC[N@H+](CCO)CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000347914264 409448948 /nfs/dbraw/zinc/44/89/48/409448948.db2.gz WKEUBMPHZXIFOI-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000347914264 409448952 /nfs/dbraw/zinc/44/89/52/409448952.db2.gz WKEUBMPHZXIFOI-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)CCN1CCCS1(=O)=O ZINC000347810201 409449180 /nfs/dbraw/zinc/44/91/80/409449180.db2.gz PYVNHOUHYKSYOL-UHFFFAOYSA-N 1 1 307.416 -1.158 20 0 DAADMO CC(C)N(C[C@@H](C)O)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347970083 409449208 /nfs/dbraw/zinc/44/92/08/409449208.db2.gz QFUKTAPJGBBKEE-OLZOCXBDSA-N 1 1 314.430 -1.034 20 0 DAADMO COC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000348006669 409449271 /nfs/dbraw/zinc/44/92/71/409449271.db2.gz JKQNULRMJPVQQZ-CHWSQXEVSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H]1CO ZINC000347971962 409449348 /nfs/dbraw/zinc/44/93/48/409449348.db2.gz RMZZDIPMOOXSOD-JHJVBQTASA-N 1 1 312.414 -1.422 20 0 DAADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC000367045344 409449946 /nfs/dbraw/zinc/44/99/46/409449946.db2.gz KTPFFDFJZFCQND-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000348334910 409450635 /nfs/dbraw/zinc/45/06/35/409450635.db2.gz QIAQTWMMGRAFNY-UHFFFAOYSA-N 1 1 315.370 -1.202 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](CCO)CCCO)C1 ZINC000348138406 409451636 /nfs/dbraw/zinc/45/16/36/409451636.db2.gz ZZJLKISHOJEPRH-CYBMUJFWSA-N 1 1 301.387 -1.210 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](CCO)CCCO)C1 ZINC000348138406 409451641 /nfs/dbraw/zinc/45/16/41/409451641.db2.gz ZZJLKISHOJEPRH-CYBMUJFWSA-N 1 1 301.387 -1.210 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCCCO)CC1 ZINC000349957080 409452720 /nfs/dbraw/zinc/45/27/20/409452720.db2.gz YPVSJZPYRCBSOQ-UHFFFAOYSA-N 1 1 314.430 -1.077 20 0 DAADMO C[C@H](CNC(=O)NCCNS(C)(=O)=O)C[NH+]1CCOCC1 ZINC000350079445 409453216 /nfs/dbraw/zinc/45/32/16/409453216.db2.gz QMIFCULPEPVAIP-LLVKDONJSA-N 1 1 322.431 -1.197 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)C1 ZINC000349905320 409453981 /nfs/dbraw/zinc/45/39/81/409453981.db2.gz MAFVAECQAPNRSC-GHMZBOCLSA-N 1 1 300.359 -1.397 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000349662262 409454522 /nfs/dbraw/zinc/45/45/22/409454522.db2.gz MWYOADMESOBJMO-LLVKDONJSA-N 1 1 322.431 -1.054 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000653428069 409456029 /nfs/dbraw/zinc/45/60/29/409456029.db2.gz ZHXHYSJKXJWFDF-WDEREUQCSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000653428069 409456033 /nfs/dbraw/zinc/45/60/33/409456033.db2.gz ZHXHYSJKXJWFDF-WDEREUQCSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000653428068 409456119 /nfs/dbraw/zinc/45/61/19/409456119.db2.gz ZHXHYSJKXJWFDF-QWRGUYRKSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000653428068 409456123 /nfs/dbraw/zinc/45/61/23/409456123.db2.gz ZHXHYSJKXJWFDF-QWRGUYRKSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000653428066 409456236 /nfs/dbraw/zinc/45/62/36/409456236.db2.gz ZHXHYSJKXJWFDF-GHMZBOCLSA-N 1 1 312.370 -1.878 20 0 DAADMO C[C@@H](NC(=O)C(=O)N1CCN(C)C(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000653428066 409456240 /nfs/dbraw/zinc/45/62/40/409456240.db2.gz ZHXHYSJKXJWFDF-GHMZBOCLSA-N 1 1 312.370 -1.878 20 0 DAADMO O=C(CN1CCNCC1=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000519711808 409456922 /nfs/dbraw/zinc/45/69/22/409456922.db2.gz KRYZBWJZCMBXOF-CYBMUJFWSA-N 1 1 303.366 -1.014 20 0 DAADMO C[C@@H](C(=O)N1CC(OCC(=O)N(C)C)C1)N1CC[NH+](C)CC1 ZINC000332419648 409462362 /nfs/dbraw/zinc/46/23/62/409462362.db2.gz BJEQNUFYLGYIQL-LBPRGKRZSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Cn1ncn(C)c1=O ZINC000332565859 409462907 /nfs/dbraw/zinc/46/29/07/409462907.db2.gz SRGDHMBLHUAGBX-UHFFFAOYSA-N 1 1 310.402 -1.322 20 0 DAADMO O=C(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CCO[C@@H](CO)C1 ZINC000332577800 409463044 /nfs/dbraw/zinc/46/30/44/409463044.db2.gz DJMBBMORPGYQIW-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CCO[C@@H](CO)C1 ZINC000332577800 409463047 /nfs/dbraw/zinc/46/30/47/409463047.db2.gz DJMBBMORPGYQIW-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO COCCN1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1=O ZINC000351934303 409464968 /nfs/dbraw/zinc/46/49/68/409464968.db2.gz HHUPTCBBGRAVGZ-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO CN(CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)S(C)(=O)=O ZINC000332732333 409465038 /nfs/dbraw/zinc/46/50/38/409465038.db2.gz SBDWLVNIGIZYHI-GHMZBOCLSA-N 1 1 305.400 -1.191 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889962 409472157 /nfs/dbraw/zinc/47/21/57/409472157.db2.gz JXQKZNVEDLYGOE-SNVBAGLBSA-N 1 1 305.400 -1.408 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889962 409472160 /nfs/dbraw/zinc/47/21/60/409472160.db2.gz JXQKZNVEDLYGOE-SNVBAGLBSA-N 1 1 305.400 -1.408 20 0 DAADMO Cn1cc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c(=O)n(C)c1=O ZINC000353922302 409473509 /nfs/dbraw/zinc/47/35/09/409473509.db2.gz AEHYHTWQUUEIDN-UHFFFAOYSA-N 1 1 323.397 -1.535 20 0 DAADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000353574756 409473566 /nfs/dbraw/zinc/47/35/66/409473566.db2.gz DAEBBZAMWBYTGS-CHWSQXEVSA-N 1 1 311.430 -1.182 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000352254762 409468949 /nfs/dbraw/zinc/46/89/49/409468949.db2.gz XVKGPOLYINIZIV-UHFFFAOYSA-N 1 1 321.381 -1.134 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888047 409469974 /nfs/dbraw/zinc/46/99/74/409469974.db2.gz WYZPLQQUSTZSHF-LLVKDONJSA-N 1 1 303.384 -1.701 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888047 409469976 /nfs/dbraw/zinc/46/99/76/409469976.db2.gz WYZPLQQUSTZSHF-LLVKDONJSA-N 1 1 303.384 -1.701 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000354468544 409477646 /nfs/dbraw/zinc/47/76/46/409477646.db2.gz NPTCRIRDDFIARA-ZYHUDNBSSA-N 1 1 301.387 -1.044 20 0 DAADMO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)[C@H]([NH3+])CC(N)=O ZINC000353738202 409474443 /nfs/dbraw/zinc/47/44/43/409474443.db2.gz LLEHLQXBJZDMLH-LLVKDONJSA-N 1 1 318.333 -1.056 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000353765864 409474509 /nfs/dbraw/zinc/47/45/09/409474509.db2.gz HWKNOYQDBFPNJO-QWRGUYRKSA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000353765864 409474512 /nfs/dbraw/zinc/47/45/12/409474512.db2.gz HWKNOYQDBFPNJO-QWRGUYRKSA-N 1 1 305.400 -1.013 20 0 DAADMO C[C@H](CO)N(C)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353103572 409474849 /nfs/dbraw/zinc/47/48/49/409474849.db2.gz ZJEAHLJOKDWMSS-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@@H+](C)CCNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000354021720 409474900 /nfs/dbraw/zinc/47/49/00/409474900.db2.gz YTRHISDZTQNZQI-UHFFFAOYSA-N 1 1 303.388 -1.012 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000353765863 409475023 /nfs/dbraw/zinc/47/50/23/409475023.db2.gz HWKNOYQDBFPNJO-MNOVXSKESA-N 1 1 305.400 -1.013 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000353765863 409475026 /nfs/dbraw/zinc/47/50/26/409475026.db2.gz HWKNOYQDBFPNJO-MNOVXSKESA-N 1 1 305.400 -1.013 20 0 DAADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000353574766 409475822 /nfs/dbraw/zinc/47/58/22/409475822.db2.gz DAEBBZAMWBYTGS-STQMWFEESA-N 1 1 311.430 -1.182 20 0 DAADMO COC[C@@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353773645 409475897 /nfs/dbraw/zinc/47/58/97/409475897.db2.gz XNDSRQCWDIUTCB-NWDGAFQWSA-N 1 1 316.402 -1.120 20 0 DAADMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC000355368470 409484111 /nfs/dbraw/zinc/48/41/11/409484111.db2.gz OWFQPYWFEROPMH-MNOVXSKESA-N 1 1 320.415 -1.638 20 0 DAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CCO)CCO)C1 ZINC000355507317 409484702 /nfs/dbraw/zinc/48/47/02/409484702.db2.gz NKBCXHYYMWFIPT-CQSZACIVSA-N 1 1 317.430 -1.254 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000356525012 409487344 /nfs/dbraw/zinc/48/73/44/409487344.db2.gz ZLWKYOCXSFAYCR-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000356525012 409487347 /nfs/dbraw/zinc/48/73/47/409487347.db2.gz ZLWKYOCXSFAYCR-ZDUSSCGKSA-N 1 1 314.430 -1.032 20 0 DAADMO CCN1CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000358557247 409495696 /nfs/dbraw/zinc/49/56/96/409495696.db2.gz GVNZJFINXMQSHR-UHFFFAOYSA-N 1 1 300.403 -1.155 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCNC(=O)c2ccn[nH]2)C1 ZINC000358654202 409496312 /nfs/dbraw/zinc/49/63/12/409496312.db2.gz VOUPFHRGDRCIEY-CYBMUJFWSA-N 1 1 310.358 -1.495 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H]1CO ZINC000358572841 409496740 /nfs/dbraw/zinc/49/67/40/409496740.db2.gz NDBAHCQKAIXCIX-RYUDHWBXSA-N 1 1 301.387 -1.090 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000358405963 409496822 /nfs/dbraw/zinc/49/68/22/409496822.db2.gz FGEPEYDGIHOPIY-RYUDHWBXSA-N 1 1 320.411 -1.021 20 0 DAADMO O=C(CO)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000357335659 409489272 /nfs/dbraw/zinc/48/92/72/409489272.db2.gz KKHMXRMTRMZGFD-UHFFFAOYSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C[C@H]1C(N)=O ZINC000356950226 409490165 /nfs/dbraw/zinc/49/01/65/409490165.db2.gz PBRURNFTHKDFKO-GMTAPVOTSA-N 1 1 313.354 -1.824 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000357501376 409494231 /nfs/dbraw/zinc/49/42/31/409494231.db2.gz PMAKHMUFILNMBU-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000357501376 409494233 /nfs/dbraw/zinc/49/42/33/409494233.db2.gz PMAKHMUFILNMBU-IINYFYTJSA-N 1 1 310.354 -1.092 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357888997 409494376 /nfs/dbraw/zinc/49/43/76/409494376.db2.gz FVGQMAFDBVOEIK-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357888997 409494378 /nfs/dbraw/zinc/49/43/78/409494378.db2.gz FVGQMAFDBVOEIK-IUCAKERBSA-N 1 1 306.388 -1.169 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000357435348 409494475 /nfs/dbraw/zinc/49/44/75/409494475.db2.gz LUYGOJSWNHQNSW-UHFFFAOYSA-N 1 1 301.372 -1.528 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000357584707 409494655 /nfs/dbraw/zinc/49/46/55/409494655.db2.gz XKCHCBYNTDIOGE-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000516177399 409557119 /nfs/dbraw/zinc/55/71/19/409557119.db2.gz JHAKUVCVXUJOFU-ZDUSSCGKSA-N 1 1 312.414 -1.109 20 0 DAADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)NCC(=O)OC ZINC000426182498 409557742 /nfs/dbraw/zinc/55/77/42/409557742.db2.gz FUGXCCNHEDVCAV-SNVBAGLBSA-N 1 1 321.399 -1.321 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000515533590 409559830 /nfs/dbraw/zinc/55/98/30/409559830.db2.gz PWIRCGAHLNYQIQ-UHFFFAOYSA-N 1 1 323.397 -1.023 20 0 DAADMO C[N@@H+](CCCC(=O)NC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428776938 409565663 /nfs/dbraw/zinc/56/56/63/409565663.db2.gz GQZAGUJNAXWORD-SECBINFHSA-N 1 1 306.388 -1.073 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000358556601 409498211 /nfs/dbraw/zinc/49/82/11/409498211.db2.gz CXZFTUZBFPCQKX-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO COCC[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000358883405 409499479 /nfs/dbraw/zinc/49/94/79/409499479.db2.gz FQNDNBCQYIMFNJ-NEPJUHHUSA-N 1 1 300.403 -1.110 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)NCCNC(=O)c2cnccn2)C1 ZINC000358720169 409500131 /nfs/dbraw/zinc/50/01/31/409500131.db2.gz LMWMGNNMRVAVIR-AWEZNQCLSA-N 1 1 322.369 -1.428 20 0 DAADMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359429106 409503153 /nfs/dbraw/zinc/50/31/53/409503153.db2.gz NLURXVVXRPJKMJ-JTQLQIEISA-N 1 1 322.431 -1.374 20 0 DAADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359430007 409503300 /nfs/dbraw/zinc/50/33/00/409503300.db2.gz OFLFARRJJULUEN-VHSXEESVSA-N 1 1 322.431 -1.374 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000367357671 409506470 /nfs/dbraw/zinc/50/64/70/409506470.db2.gz CQHBSCHYXUJGGY-LLVKDONJSA-N 1 1 309.370 -2.597 20 0 DAADMO CNS(=O)(=O)NC1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000361382298 409509962 /nfs/dbraw/zinc/50/99/62/409509962.db2.gz UPLWNYDRFKPPPE-CYBMUJFWSA-N 1 1 320.459 -1.040 20 0 DAADMO CCOCCOC[C@@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000361626926 409510322 /nfs/dbraw/zinc/51/03/22/409510322.db2.gz YTACOGLZSTXYFZ-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@](C)(C(N)=O)C2)cn1 ZINC000361555320 409510454 /nfs/dbraw/zinc/51/04/54/409510454.db2.gz AHTVPXWYXFAPMB-LBPRGKRZSA-N 1 1 315.399 -1.104 20 0 DAADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000361557742 409511365 /nfs/dbraw/zinc/51/13/65/409511365.db2.gz SDDAOHQEPWPGHB-CQSZACIVSA-N 1 1 323.353 -1.069 20 0 DAADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000361557742 409511368 /nfs/dbraw/zinc/51/13/68/409511368.db2.gz SDDAOHQEPWPGHB-CQSZACIVSA-N 1 1 323.353 -1.069 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000369949779 409512905 /nfs/dbraw/zinc/51/29/05/409512905.db2.gz AFQYTZVBECAOBS-JTQLQIEISA-N 1 1 306.388 -1.945 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000369949779 409512908 /nfs/dbraw/zinc/51/29/08/409512908.db2.gz AFQYTZVBECAOBS-JTQLQIEISA-N 1 1 306.388 -1.945 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 ZINC000372022418 409516961 /nfs/dbraw/zinc/51/69/61/409516961.db2.gz URYWQKMSIWAVNF-GFCCVEGCSA-N 1 1 323.397 -1.223 20 0 DAADMO COCCN1CCC[N@@H+](CCC(=O)NCC(=O)OC)CC1=O ZINC000375493899 409519337 /nfs/dbraw/zinc/51/93/37/409519337.db2.gz DFRUPJLDRXMXTM-UHFFFAOYSA-N 1 1 315.370 -1.154 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[NH+](CCO)CC1 ZINC000121639265 409519766 /nfs/dbraw/zinc/51/97/66/409519766.db2.gz UEPYRUPGQRJALP-UHFFFAOYSA-N 1 1 323.397 -1.092 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000374861323 409520144 /nfs/dbraw/zinc/52/01/44/409520144.db2.gz HOSCNBOWZMBFMK-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@H](CNC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)S(N)(=O)=O ZINC000645621302 409523314 /nfs/dbraw/zinc/52/33/14/409523314.db2.gz JVMVVBLXAZKROM-UTLUCORTSA-N 1 1 318.399 -2.058 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000173926726 409523665 /nfs/dbraw/zinc/52/36/65/409523665.db2.gz RQMZVCIJCNHUDA-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)C(=O)N(C)C ZINC000173926726 409523670 /nfs/dbraw/zinc/52/36/70/409523670.db2.gz RQMZVCIJCNHUDA-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377776737 409524860 /nfs/dbraw/zinc/52/48/60/409524860.db2.gz HQJKWZWAZUZAKE-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377776737 409524871 /nfs/dbraw/zinc/52/48/71/409524871.db2.gz HQJKWZWAZUZAKE-ZDUSSCGKSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000653034756 409529903 /nfs/dbraw/zinc/52/99/03/409529903.db2.gz ZTJFKQPRTJEBCM-JTQLQIEISA-N 1 1 318.399 -2.042 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)n1 ZINC000653018258 409530616 /nfs/dbraw/zinc/53/06/16/409530616.db2.gz VPWACSZRALUFKD-UHFFFAOYSA-N 1 1 319.373 -1.218 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000653019192 409530724 /nfs/dbraw/zinc/53/07/24/409530724.db2.gz KCRGFQZGDMHOAT-UHFFFAOYSA-N 1 1 323.401 -1.121 20 0 DAADMO CN(C)c1nc(N)nc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000653034862 409530915 /nfs/dbraw/zinc/53/09/15/409530915.db2.gz IMLMTVLAFVJFPJ-SNVBAGLBSA-N 1 1 323.401 -1.073 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000653535443 409533154 /nfs/dbraw/zinc/53/31/54/409533154.db2.gz RNLMNJLBLXIGFB-STQMWFEESA-N 1 1 323.459 -1.061 20 0 DAADMO CN(C)S(=O)(=O)N1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000653065503 409534789 /nfs/dbraw/zinc/53/47/89/409534789.db2.gz IASYWTXUWDCBAK-UHFFFAOYSA-N 1 1 314.358 -1.079 20 0 DAADMO COC(=O)Cc1nnn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000432734323 409569148 /nfs/dbraw/zinc/56/91/48/409569148.db2.gz RDGZWGHQTPBQJW-OUAUKWLOSA-N 1 1 313.358 -1.141 20 0 DAADMO COC(=O)Cc1nnn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000432734323 409569157 /nfs/dbraw/zinc/56/91/57/409569157.db2.gz RDGZWGHQTPBQJW-OUAUKWLOSA-N 1 1 313.358 -1.141 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000420148374 409538816 /nfs/dbraw/zinc/53/88/16/409538816.db2.gz FMUNHHHECMCGAN-RKDXNWHRSA-N 1 1 318.324 -1.034 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001193577399 782012305 /nfs/dbraw/zinc/01/23/05/782012305.db2.gz QXWXARDUFOTWNF-ZKYQVNSYSA-N 1 1 324.381 -1.389 20 0 DAADMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCNCC1 ZINC000423205611 409543509 /nfs/dbraw/zinc/54/35/09/409543509.db2.gz FEPQZCKVFTWNKQ-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COC(=O)Cc1nnn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000432734322 409569454 /nfs/dbraw/zinc/56/94/54/409569454.db2.gz RDGZWGHQTPBQJW-GMTAPVOTSA-N 1 1 313.358 -1.141 20 0 DAADMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC000533087118 409552149 /nfs/dbraw/zinc/55/21/49/409552149.db2.gz WXDILAUKVDQROV-SECBINFHSA-N 1 1 307.372 -1.711 20 0 DAADMO CC(C)(CO)[NH+]1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000613036072 409552392 /nfs/dbraw/zinc/55/23/92/409552392.db2.gz DFSVFRMLOKKJJS-UHFFFAOYSA-N 1 1 308.386 -1.120 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646577746 409623164 /nfs/dbraw/zinc/62/31/64/409623164.db2.gz HQFBWWDLOSRJJU-JHJVBQTASA-N 1 1 300.355 -1.762 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)S1(=O)=O ZINC000648918262 409641342 /nfs/dbraw/zinc/64/13/42/409641342.db2.gz QGXVAPIVSGPMTI-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653825647 409633829 /nfs/dbraw/zinc/63/38/29/409633829.db2.gz DSGGTASRUBVZKH-RFQIPJPRSA-N 1 1 324.425 -1.150 20 0 DAADMO CO[C@@H]1COC[C@H]1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000517363994 409634306 /nfs/dbraw/zinc/63/43/06/409634306.db2.gz OYOBPSRCTCIEIP-BZPMIXESSA-N 1 1 317.386 -1.217 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN1CC(=O)NC[C@@H]1C(=O)OC ZINC000517038242 409634554 /nfs/dbraw/zinc/63/45/54/409634554.db2.gz PLBOZIBWBZFMDJ-WDEREUQCSA-N 1 1 303.359 -2.101 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000521657009 409635070 /nfs/dbraw/zinc/63/50/70/409635070.db2.gz JGQPNYVMBBBEHB-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000521657009 409635080 /nfs/dbraw/zinc/63/50/80/409635080.db2.gz JGQPNYVMBBBEHB-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000372022429 409638158 /nfs/dbraw/zinc/63/81/58/409638158.db2.gz USZWTHDLPFDMBM-WDEREUQCSA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@@H+](CC(=O)N1CCNC1=O)C[C@H](O)CN1CCOCC1 ZINC000434994141 409575609 /nfs/dbraw/zinc/57/56/09/409575609.db2.gz HNMZQAHQJPOWKK-NSHDSACASA-N 1 1 300.359 -1.837 20 0 DAADMO C[N@H+](CC(=O)N1CCNC1=O)C[C@H](O)CN1CCOCC1 ZINC000434994141 409575614 /nfs/dbraw/zinc/57/56/14/409575614.db2.gz HNMZQAHQJPOWKK-NSHDSACASA-N 1 1 300.359 -1.837 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1=O ZINC000645769814 409578164 /nfs/dbraw/zinc/57/81/64/409578164.db2.gz GHDNNCBDFHXBOB-GFCCVEGCSA-N 1 1 309.370 -1.095 20 0 DAADMO CNS(=O)(=O)CCNC(=O)NCC[NH+]1CCSCC1 ZINC000439080372 409582825 /nfs/dbraw/zinc/58/28/25/409582825.db2.gz XHAQULGNCPQYDW-UHFFFAOYSA-N 1 1 310.445 -1.116 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000522146193 409640118 /nfs/dbraw/zinc/64/01/18/409640118.db2.gz ONOHBBWIBXIIBS-NSHDSACASA-N 1 1 307.358 -1.704 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)S(N)(=O)=O ZINC000442276207 409585337 /nfs/dbraw/zinc/58/53/37/409585337.db2.gz TWBGUYPTALZEPC-AEJSXWLSSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)S(N)(=O)=O ZINC000442276207 409585353 /nfs/dbraw/zinc/58/53/53/409585353.db2.gz TWBGUYPTALZEPC-AEJSXWLSSA-N 1 1 320.415 -1.669 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)CN2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000447263696 409589853 /nfs/dbraw/zinc/58/98/53/409589853.db2.gz KFWNESKAIJGCNG-SBAKFKMJSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000447263696 409589865 /nfs/dbraw/zinc/58/98/65/409589865.db2.gz KFWNESKAIJGCNG-SBAKFKMJSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000447263696 409589879 /nfs/dbraw/zinc/58/98/79/409589879.db2.gz KFWNESKAIJGCNG-SBAKFKMJSA-N 1 1 318.414 -1.490 20 0 DAADMO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000447263696 409589889 /nfs/dbraw/zinc/58/98/89/409589889.db2.gz KFWNESKAIJGCNG-SBAKFKMJSA-N 1 1 318.414 -1.490 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000447776103 409592367 /nfs/dbraw/zinc/59/23/67/409592367.db2.gz AJYUQDIYOHBHPG-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452384485 409596959 /nfs/dbraw/zinc/59/69/59/409596959.db2.gz RPXMIYDOKNYOOE-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452103908 409598095 /nfs/dbraw/zinc/59/80/95/409598095.db2.gz LCQQLOGOEINQAI-NSHDSACASA-N 1 1 323.415 -1.276 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452103908 409598102 /nfs/dbraw/zinc/59/81/02/409598102.db2.gz LCQQLOGOEINQAI-NSHDSACASA-N 1 1 323.415 -1.276 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000646118721 409600685 /nfs/dbraw/zinc/60/06/85/409600685.db2.gz ALTKVSVYFWNLBY-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000659870914 409601417 /nfs/dbraw/zinc/60/14/17/409601417.db2.gz NNNMAKXPXKPDPA-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CN1CC(=O)N(CC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000659870914 409601422 /nfs/dbraw/zinc/60/14/22/409601422.db2.gz NNNMAKXPXKPDPA-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000492595508 409606385 /nfs/dbraw/zinc/60/63/85/409606385.db2.gz NNGSDGDMPSAHIX-AATRIKPKSA-N 1 1 324.381 -1.472 20 0 DAADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)C2COC2)CC1 ZINC000493471804 409607079 /nfs/dbraw/zinc/60/70/79/409607079.db2.gz GATOBUTZJCMDSV-LBPRGKRZSA-N 1 1 317.411 -1.047 20 0 DAADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)C2COC2)CC1 ZINC000493471803 409608822 /nfs/dbraw/zinc/60/88/22/409608822.db2.gz GATOBUTZJCMDSV-GFCCVEGCSA-N 1 1 317.411 -1.047 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000659723565 409692824 /nfs/dbraw/zinc/69/28/24/409692824.db2.gz JPZSGFBERWHIOV-SECBINFHSA-N 1 1 316.312 -1.163 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000659730669 409692918 /nfs/dbraw/zinc/69/29/18/409692918.db2.gz TYHTXHPNUFVDHL-DTWKUNHWSA-N 1 1 305.356 -2.654 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659725204 409693084 /nfs/dbraw/zinc/69/30/84/409693084.db2.gz TZDVFKWYPIRGGT-JTQLQIEISA-N 1 1 320.340 -1.370 20 0 DAADMO CO[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[C@H]1CCOC1 ZINC000659725579 409694307 /nfs/dbraw/zinc/69/43/07/409694307.db2.gz XTJMHLVNYGMPMF-DTWKUNHWSA-N 1 1 309.313 -1.136 20 0 DAADMO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000659739021 409699602 /nfs/dbraw/zinc/69/96/02/409699602.db2.gz DKZWWIPJPUNLCA-XWAURUHHSA-N 1 1 308.382 -1.868 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660073174 409700536 /nfs/dbraw/zinc/70/05/36/409700536.db2.gz BFCLFEXVYRXBRU-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660073174 409700542 /nfs/dbraw/zinc/70/05/42/409700542.db2.gz BFCLFEXVYRXBRU-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO COC[C@H](OC)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578268 409712838 /nfs/dbraw/zinc/71/28/38/409712838.db2.gz SJQQXUSFGBJDDT-NSHDSACASA-N 1 1 321.399 -1.906 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000661881978 409708271 /nfs/dbraw/zinc/70/82/71/409708271.db2.gz LMFCNMPFMVLYKT-RVMXOQNASA-N 1 1 315.395 -1.012 20 0 DAADMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000661881978 409708279 /nfs/dbraw/zinc/70/82/79/409708279.db2.gz LMFCNMPFMVLYKT-RVMXOQNASA-N 1 1 315.395 -1.012 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)N1CCNC(=O)C1 ZINC000662062924 409708442 /nfs/dbraw/zinc/70/84/42/409708442.db2.gz SIYKGZWTXJSHOV-LBPRGKRZSA-N 1 1 308.382 -1.111 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)N1CCNC(=O)C1 ZINC000662062924 409708449 /nfs/dbraw/zinc/70/84/49/409708449.db2.gz SIYKGZWTXJSHOV-LBPRGKRZSA-N 1 1 308.382 -1.111 20 0 DAADMO O=C(N[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529344633 409643463 /nfs/dbraw/zinc/64/34/63/409643463.db2.gz RHTZVIKRVCEVQT-LBPRGKRZSA-N 1 1 310.402 -1.299 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000373153373 409643621 /nfs/dbraw/zinc/64/36/21/409643621.db2.gz PDNDYYMLMBSJAS-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000373153373 409643624 /nfs/dbraw/zinc/64/36/24/409643624.db2.gz PDNDYYMLMBSJAS-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000373153375 409643630 /nfs/dbraw/zinc/64/36/30/409643630.db2.gz PDNDYYMLMBSJAS-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000373153375 409643632 /nfs/dbraw/zinc/64/36/32/409643632.db2.gz PDNDYYMLMBSJAS-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NCC1C[NH2+]C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529335270 409643778 /nfs/dbraw/zinc/64/37/78/409643778.db2.gz JPZKSISYVOORGN-UHFFFAOYSA-N 1 1 310.402 -1.442 20 0 DAADMO O=C(C[NH2+][C@]1(CO)COc2ccccc2C1)N1CCNC(=O)C1 ZINC000528651635 409643878 /nfs/dbraw/zinc/64/38/78/409643878.db2.gz NZSNGKFZORFEJQ-MRXNPFEDSA-N 1 1 319.361 -1.099 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000529034723 409644321 /nfs/dbraw/zinc/64/43/21/409644321.db2.gz FMXDYTJATAQOND-AAEUAGOBSA-N 1 1 319.427 -1.159 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000529034724 409644391 /nfs/dbraw/zinc/64/43/91/409644391.db2.gz FMXDYTJATAQOND-WCQYABFASA-N 1 1 319.427 -1.159 20 0 DAADMO CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000649303537 409654758 /nfs/dbraw/zinc/65/47/58/409654758.db2.gz FPRHMUDFFZLKKH-LLVKDONJSA-N 1 1 320.415 -2.332 20 0 DAADMO O=C(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCNC(=O)C1 ZINC000662155853 409710894 /nfs/dbraw/zinc/71/08/94/409710894.db2.gz HHIFCKHCXJECBY-CYBMUJFWSA-N 1 1 310.398 -1.524 20 0 DAADMO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654051982 409657265 /nfs/dbraw/zinc/65/72/65/409657265.db2.gz PNWVZLOSOVQYQW-MXWKQRLJSA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654051982 409657275 /nfs/dbraw/zinc/65/72/75/409657275.db2.gz PNWVZLOSOVQYQW-MXWKQRLJSA-N 1 1 324.385 -1.009 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000576287795 409658276 /nfs/dbraw/zinc/65/82/76/409658276.db2.gz LIXWHLSJIPSFNZ-LLVKDONJSA-N 1 1 322.431 -1.607 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000576481009 409658954 /nfs/dbraw/zinc/65/89/54/409658954.db2.gz WTWZDHNSGJZFIP-PWSUYJOCSA-N 1 1 323.397 -1.192 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)NCC(F)(F)C[NH3+] ZINC000576398470 409659050 /nfs/dbraw/zinc/65/90/50/409659050.db2.gz KLOPIMUYEQZMTP-UHFFFAOYSA-N 1 1 303.331 -1.348 20 0 DAADMO COC(=O)CN(C)C(=O)CCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576292252 409660398 /nfs/dbraw/zinc/66/03/98/409660398.db2.gz ISBUXYXCNUBKEA-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO O=C(CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCOCC1 ZINC000654519876 409661634 /nfs/dbraw/zinc/66/16/34/409661634.db2.gz NYNHTIRVWYUZDH-NWDGAFQWSA-N 1 1 312.370 -1.694 20 0 DAADMO O=C(NCCCN1C(=O)CCC1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654430515 409661671 /nfs/dbraw/zinc/66/16/71/409661671.db2.gz OPHZBPMHOXMLGU-NWDGAFQWSA-N 1 1 324.381 -1.014 20 0 DAADMO O=C(NCCN1CCNC(=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654522520 409662279 /nfs/dbraw/zinc/66/22/79/409662279.db2.gz BUXSERLPFFXXRI-NWDGAFQWSA-N 1 1 311.386 -2.121 20 0 DAADMO O=C(NCCN1C(=O)CCC1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654443557 409664469 /nfs/dbraw/zinc/66/44/69/409664469.db2.gz UDLPLVKXDAVLKO-WDEREUQCSA-N 1 1 310.354 -1.404 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000662031991 409711276 /nfs/dbraw/zinc/71/12/76/409711276.db2.gz HRFHLLYXZHVLPW-ZJUUUORDSA-N 1 1 322.365 -1.183 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(=O)n(C)c1=O ZINC000662031991 409711285 /nfs/dbraw/zinc/71/12/85/409711285.db2.gz HRFHLLYXZHVLPW-ZJUUUORDSA-N 1 1 322.365 -1.183 20 0 DAADMO CCN(C(=O)C(=O)N1CCO[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807400 409669273 /nfs/dbraw/zinc/66/92/73/409669273.db2.gz NVYSKYQEGUWNMA-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN1CCS(=O)(=O)C[C@@H]1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000655096213 409670233 /nfs/dbraw/zinc/67/02/33/409670233.db2.gz LXRVNSXULMHGDK-SRVKXCTJSA-N 1 1 319.427 -1.761 20 0 DAADMO Cc1nn(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)c(=O)n1C ZINC000655120505 409670713 /nfs/dbraw/zinc/67/07/13/409670713.db2.gz KKGAFYGBFKSMDO-GFCCVEGCSA-N 1 1 311.386 -1.147 20 0 DAADMO Cc1nn(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c(=O)n1C ZINC000655033031 409671104 /nfs/dbraw/zinc/67/11/04/409671104.db2.gz AJXSDMRZJHZWJO-UHFFFAOYSA-N 1 1 305.342 -1.038 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000655000427 409671498 /nfs/dbraw/zinc/67/14/98/409671498.db2.gz JQNUHJVQURQOSP-ZDUSSCGKSA-N 1 1 303.326 -1.146 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659683247 409689406 /nfs/dbraw/zinc/68/94/06/409689406.db2.gz WRFHUBCBRLVUKJ-IJLUTSLNSA-N 1 1 315.393 -1.754 20 0 DAADMO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000659681893 409690178 /nfs/dbraw/zinc/69/01/78/409690178.db2.gz DHRWARQBUFYXGD-CHWSQXEVSA-N 1 1 313.446 -1.162 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659706873 409690272 /nfs/dbraw/zinc/69/02/72/409690272.db2.gz QYMBWXRGDBTGFH-AVERBVTBSA-N 1 1 310.398 -1.309 20 0 DAADMO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O ZINC000664581832 409730878 /nfs/dbraw/zinc/73/08/78/409730878.db2.gz YSYLARMMQMCCIM-VWYCJHECSA-N 1 1 305.400 -1.120 20 0 DAADMO C[N@H+]1CCC[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000665103130 409735476 /nfs/dbraw/zinc/73/54/76/409735476.db2.gz JVLSWEWHUOHXPD-NSHDSACASA-N 1 1 322.431 -1.068 20 0 DAADMO CC[NH+]1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665098061 409735822 /nfs/dbraw/zinc/73/58/22/409735822.db2.gz BZZICFBOAHSZKA-UHFFFAOYSA-N 1 1 308.404 -1.361 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000665015313 409735871 /nfs/dbraw/zinc/73/58/71/409735871.db2.gz XIGKSJDODDGFLP-UHFFFAOYSA-N 1 1 307.420 -1.224 20 0 DAADMO CC(C)[N@@H+](C)CCNC(=O)NCCOCCS(N)(=O)=O ZINC000665103193 409736749 /nfs/dbraw/zinc/73/67/49/409736749.db2.gz METFVGBIBHBRDX-UHFFFAOYSA-N 1 1 310.420 -1.069 20 0 DAADMO C[N@H+]1CCC[C@H]1CNC(=O)NCCOCCS(N)(=O)=O ZINC000665103218 409739539 /nfs/dbraw/zinc/73/95/39/409739539.db2.gz NDPCHQIMPNWGRW-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCNc1cnccn1 ZINC000348820993 409743235 /nfs/dbraw/zinc/74/32/35/409743235.db2.gz VFOHQQUUFSKYGJ-LBPRGKRZSA-N 1 1 307.402 -0.567 20 0 DAADMO C[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)S(N)(=O)=O ZINC000353283379 409743672 /nfs/dbraw/zinc/74/36/72/409743672.db2.gz USKSKLRAHDCJEP-SECBINFHSA-N 1 1 301.372 -0.598 20 0 DAADMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000348248858 409744472 /nfs/dbraw/zinc/74/44/72/409744472.db2.gz VSRRDCWUDOPCKW-LLVKDONJSA-N 1 1 309.370 -0.726 20 0 DAADMO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)CN1CCOCC1)C2 ZINC000591907612 409758179 /nfs/dbraw/zinc/75/81/79/409758179.db2.gz DIEYEZATBBTMSP-CYBMUJFWSA-N 1 1 307.398 -0.431 20 0 DAADMO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC000591907612 409758181 /nfs/dbraw/zinc/75/81/81/409758181.db2.gz DIEYEZATBBTMSP-CYBMUJFWSA-N 1 1 307.398 -0.431 20 0 DAADMO CN1NN=C2C1=NCC[C@H]2C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000665489304 409767477 /nfs/dbraw/zinc/76/74/77/409767477.db2.gz NKSPIZGTLDCFOP-GFCCVEGCSA-N 1 1 321.429 -1.036 20 0 DAADMO O=C(NCCO)c1ccc(NCC[N@H+]2CCCOCC2)nn1 ZINC000445663729 409767605 /nfs/dbraw/zinc/76/76/05/409767605.db2.gz ZJDNUKGYGNPGSQ-UHFFFAOYSA-N 1 1 309.370 -0.667 20 0 DAADMO NS(=O)(=O)N1CCC[C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000662767651 409718172 /nfs/dbraw/zinc/71/81/72/409718172.db2.gz XWGANFJOEGQVJG-SSDOTTSWSA-N 1 1 300.331 -1.388 20 0 DAADMO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000344566048 409785053 /nfs/dbraw/zinc/78/50/53/409785053.db2.gz OYYBWFJJVBIQCN-UHFFFAOYSA-N 1 1 323.353 -0.643 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC1 ZINC000340100348 409789559 /nfs/dbraw/zinc/78/95/59/409789559.db2.gz CWCZEWINFSLRPG-NSHDSACASA-N 1 1 324.385 -1.023 20 0 DAADMO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nn1 ZINC000342260651 409790963 /nfs/dbraw/zinc/79/09/63/409790963.db2.gz PQOPVLUQFSXMBD-AOOOYVTPSA-N 1 1 305.338 -0.556 20 0 DAADMO COc1cncc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000569728357 409791916 /nfs/dbraw/zinc/79/19/16/409791916.db2.gz WHJUSESMSNALKB-AOOOYVTPSA-N 1 1 305.338 -0.556 20 0 DAADMO C[C@H]1C[N@H+](C)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000578136137 409806980 /nfs/dbraw/zinc/80/69/80/409806980.db2.gz BAMUEGVMHSHNOD-JTQLQIEISA-N 1 1 321.385 -0.934 20 0 DAADMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000578136137 409806984 /nfs/dbraw/zinc/80/69/84/409806984.db2.gz BAMUEGVMHSHNOD-JTQLQIEISA-N 1 1 321.385 -0.934 20 0 DAADMO Nc1nc(-n2cccn2)cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000581677712 409811284 /nfs/dbraw/zinc/81/12/84/409811284.db2.gz LALHJFWNKQEMKJ-UWVGGRQHSA-N 1 1 314.353 -1.007 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193718695 782013456 /nfs/dbraw/zinc/01/34/56/782013456.db2.gz KFGMNWWRRBYVKJ-IJLUTSLNSA-N 1 1 315.370 -2.317 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791177 782016062 /nfs/dbraw/zinc/01/60/62/782016062.db2.gz FCHILOHCGHGDNM-VXGBXAGGSA-N 1 1 323.401 -1.644 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193829136 782018102 /nfs/dbraw/zinc/01/81/02/782018102.db2.gz WUVYOCYZMYJLOO-JHJVBQTASA-N 1 1 312.414 -1.104 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193866048 782018297 /nfs/dbraw/zinc/01/82/97/782018297.db2.gz UMNVWEFKLZCQNL-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001193866048 782018303 /nfs/dbraw/zinc/01/83/03/782018303.db2.gz UMNVWEFKLZCQNL-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193929540 782018617 /nfs/dbraw/zinc/01/86/17/782018617.db2.gz ILJQRPIEFCMUFF-LLVKDONJSA-N 1 1 309.374 -1.131 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821072 782018799 /nfs/dbraw/zinc/01/87/99/782018799.db2.gz CQFPZEVBROJFJR-ZIAGYGMSSA-N 1 1 322.413 -1.039 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821940 782018947 /nfs/dbraw/zinc/01/89/47/782018947.db2.gz UCOGAIJTRUJWFX-BFHYXJOUSA-N 1 1 315.414 -1.361 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821940 782018961 /nfs/dbraw/zinc/01/89/61/782018961.db2.gz UCOGAIJTRUJWFX-BFHYXJOUSA-N 1 1 315.414 -1.361 20 0 DAADMO CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001193849582 782018015 /nfs/dbraw/zinc/01/80/15/782018015.db2.gz LFMWQMJTEWSMHP-HBNTYKKESA-N 1 1 312.370 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001193857946 782019466 /nfs/dbraw/zinc/01/94/66/782019466.db2.gz MIJJAQIEMKQWPT-NQBHXWOUSA-N 1 1 324.381 -1.389 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000330444006 262505287 /nfs/dbraw/zinc/50/52/87/262505287.db2.gz GEYJGKFILAAZFQ-JTQLQIEISA-N 1 1 308.404 -1.875 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001193939779 782020592 /nfs/dbraw/zinc/02/05/92/782020592.db2.gz DSMIWPAOJOLIIV-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000355364293 262571501 /nfs/dbraw/zinc/57/15/01/262571501.db2.gz KNAHZFQYROOMKF-SNVBAGLBSA-N 1 1 308.404 -1.756 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCCNC1=O ZINC001193930070 782021005 /nfs/dbraw/zinc/02/10/05/782021005.db2.gz SHMBELQIHNTLGX-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCCNC1=O ZINC001193930070 782021010 /nfs/dbraw/zinc/02/10/10/782021010.db2.gz SHMBELQIHNTLGX-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193921854 782021757 /nfs/dbraw/zinc/02/17/57/782021757.db2.gz OJXXSHZPRFAKCK-QMMMGPOBSA-N 1 1 314.346 -2.228 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193921854 782021764 /nfs/dbraw/zinc/02/17/64/782021764.db2.gz OJXXSHZPRFAKCK-QMMMGPOBSA-N 1 1 314.346 -2.228 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193954193 782021680 /nfs/dbraw/zinc/02/16/80/782021680.db2.gz SPIWSVHBDHARNP-GMTAPVOTSA-N 1 1 312.326 -2.036 20 0 DAADMO C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922803 782021913 /nfs/dbraw/zinc/02/19/13/782021913.db2.gz YRKWDFAMALNNBJ-LLVKDONJSA-N 1 1 302.375 -1.414 20 0 DAADMO C[N@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922449 782021936 /nfs/dbraw/zinc/02/19/36/782021936.db2.gz VIJCQSYOYZRLOU-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001193922449 782021944 /nfs/dbraw/zinc/02/19/44/782021944.db2.gz VIJCQSYOYZRLOU-NSHDSACASA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCNC(N)=O)C1)[C@H]1CCCNC1=O ZINC001193922067 782022365 /nfs/dbraw/zinc/02/23/65/782022365.db2.gz PZQDXQLQQIHHRD-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916745 782022759 /nfs/dbraw/zinc/02/27/59/782022759.db2.gz YGSBXEFPLXTKSB-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001193916745 782022768 /nfs/dbraw/zinc/02/27/68/782022768.db2.gz YGSBXEFPLXTKSB-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)CCN1CCCS1(=O)=O ZINC000674464142 545868240 /nfs/dbraw/zinc/86/82/40/545868240.db2.gz YYKIJGGRGPUYFT-UHFFFAOYSA-N 1 1 318.399 -1.104 20 0 DAADMO CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000674563883 545869134 /nfs/dbraw/zinc/86/91/34/545869134.db2.gz KKFUHGHCHMXMCF-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000674563883 545869138 /nfs/dbraw/zinc/86/91/38/545869138.db2.gz KKFUHGHCHMXMCF-LLVKDONJSA-N 1 1 305.400 -1.189 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(N)=O ZINC000675405295 545871269 /nfs/dbraw/zinc/87/12/69/545871269.db2.gz XIBCQXMMXCPIQD-NSHDSACASA-N 1 1 311.386 -1.238 20 0 DAADMO C[C@@H](NC(=O)CN1CCCS1(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000676257756 545871572 /nfs/dbraw/zinc/87/15/72/545871572.db2.gz JJFDDMDHKRQCJH-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](NC(=O)CN1CCCS1(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676257756 545871577 /nfs/dbraw/zinc/87/15/77/545871577.db2.gz JJFDDMDHKRQCJH-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676287101 545872081 /nfs/dbraw/zinc/87/20/81/545872081.db2.gz OLTMBJADZAOQGF-BDAKNGLRSA-N 1 1 312.326 -1.758 20 0 DAADMO C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287101 545872086 /nfs/dbraw/zinc/87/20/86/545872086.db2.gz OLTMBJADZAOQGF-BDAKNGLRSA-N 1 1 312.326 -1.758 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](CC(N)=O)C2)cn1 ZINC000676897932 545874119 /nfs/dbraw/zinc/87/41/19/545874119.db2.gz CXGALCIDVLMGMC-JTQLQIEISA-N 1 1 315.399 -1.104 20 0 DAADMO C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1S(C)(=O)=O ZINC000678971457 545878228 /nfs/dbraw/zinc/87/82/28/545878228.db2.gz MLSXNNQTCXXPOD-LBPRGKRZSA-N 1 1 318.443 -1.274 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000682203054 545886759 /nfs/dbraw/zinc/88/67/59/545886759.db2.gz QBAQGVKZIQVPAB-NXEZZACHSA-N 1 1 308.404 -1.446 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000682203054 545886763 /nfs/dbraw/zinc/88/67/63/545886763.db2.gz QBAQGVKZIQVPAB-NXEZZACHSA-N 1 1 308.404 -1.446 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682005143 545886786 /nfs/dbraw/zinc/88/67/86/545886786.db2.gz SRTLVGHRRLUCJJ-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685336201 545893653 /nfs/dbraw/zinc/89/36/53/545893653.db2.gz LZQQBBPGEMPSAQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685336201 545893658 /nfs/dbraw/zinc/89/36/58/545893658.db2.gz LZQQBBPGEMPSAQ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)C1 ZINC001193977942 782023943 /nfs/dbraw/zinc/02/39/43/782023943.db2.gz GNGILRHUTBRKJL-FIYWTHMPSA-N 1 1 302.371 -1.418 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193947856 782023909 /nfs/dbraw/zinc/02/39/09/782023909.db2.gz XQZNNKRWMPHVBT-HBNTYKKESA-N 1 1 301.387 -1.180 20 0 DAADMO COC1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)C1 ZINC001193977942 782023937 /nfs/dbraw/zinc/02/39/37/782023937.db2.gz GNGILRHUTBRKJL-FIYWTHMPSA-N 1 1 302.371 -1.418 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 ZINC001194017062 782024695 /nfs/dbraw/zinc/02/46/95/782024695.db2.gz YQBXYDLJNXVGRN-FBIMIBRVSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccsn2)C1 ZINC001194017062 782024701 /nfs/dbraw/zinc/02/47/01/782024701.db2.gz YQBXYDLJNXVGRN-FBIMIBRVSA-N 1 1 301.368 -1.075 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001194088457 782025545 /nfs/dbraw/zinc/02/55/45/782025545.db2.gz SPMOXPCEBRVPNQ-HZSPNIEDSA-N 1 1 318.381 -1.545 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001146 782025571 /nfs/dbraw/zinc/02/55/71/782025571.db2.gz FHEJARMWWIQSDS-MNOVXSKESA-N 1 1 311.386 -1.334 20 0 DAADMO CN(CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001147 782026374 /nfs/dbraw/zinc/02/63/74/782026374.db2.gz FHEJARMWWIQSDS-QWRGUYRKSA-N 1 1 311.386 -1.334 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060417 782026824 /nfs/dbraw/zinc/02/68/24/782026824.db2.gz LUSOYZIHFIQQFY-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060417 782026842 /nfs/dbraw/zinc/02/68/42/782026842.db2.gz LUSOYZIHFIQQFY-ZJUUUORDSA-N 1 1 318.399 -2.043 20 0 DAADMO COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061403 782026860 /nfs/dbraw/zinc/02/68/60/782026860.db2.gz VMYHBKYTJJMJRR-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089300 782028380 /nfs/dbraw/zinc/02/83/80/782028380.db2.gz DDJXLTSBOSJFNP-ZJUUUORDSA-N 1 1 320.415 -1.797 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089544 782028524 /nfs/dbraw/zinc/02/85/24/782028524.db2.gz JTNZQYYQAGATRO-ZJUUUORDSA-N 1 1 320.415 -1.668 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001194089530 782027990 /nfs/dbraw/zinc/02/79/90/782027990.db2.gz JMRXCUQSPAGGJA-WDEREUQCSA-N 1 1 323.415 -1.924 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001194089540 782028079 /nfs/dbraw/zinc/02/80/79/782028079.db2.gz JTNZQYYQAGATRO-NXEZZACHSA-N 1 1 320.415 -1.668 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CCCCC1 ZINC001194227125 782031165 /nfs/dbraw/zinc/03/11/65/782031165.db2.gz HEUCKTNZQARDTP-CHWSQXEVSA-N 1 1 313.398 -1.021 20 0 DAADMO CC(=O)NC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCCCC1 ZINC001194227125 782031176 /nfs/dbraw/zinc/03/11/76/782031176.db2.gz HEUCKTNZQARDTP-CHWSQXEVSA-N 1 1 313.398 -1.021 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001194200892 782031384 /nfs/dbraw/zinc/03/13/84/782031384.db2.gz POYRDVTWBXXLDT-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238757 782031781 /nfs/dbraw/zinc/03/17/81/782031781.db2.gz PMYAAYVKWDSTSF-LLVKDONJSA-N 1 1 310.358 -2.081 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001194266334 782032223 /nfs/dbraw/zinc/03/22/23/782032223.db2.gz OYCNBDAKOVOLGP-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001194266334 782032230 /nfs/dbraw/zinc/03/22/30/782032230.db2.gz OYCNBDAKOVOLGP-SNVBAGLBSA-N 1 1 313.402 -1.027 20 0 DAADMO C[N@H+](CCF)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238717 782032486 /nfs/dbraw/zinc/03/24/86/782032486.db2.gz OYJDDZIKZMBQLQ-LLVKDONJSA-N 1 1 312.349 -1.104 20 0 DAADMO C[N@@H+](CCF)[C@@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238717 782032495 /nfs/dbraw/zinc/03/24/95/782032495.db2.gz OYJDDZIKZMBQLQ-LLVKDONJSA-N 1 1 312.349 -1.104 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001194244216 782032642 /nfs/dbraw/zinc/03/26/42/782032642.db2.gz LFHBAYKODRRDAL-HBNTYKKESA-N 1 1 300.403 -1.248 20 0 DAADMO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001194244029 782032848 /nfs/dbraw/zinc/03/28/48/782032848.db2.gz IDTDPDUNAYLFHD-JHJVBQTASA-N 1 1 317.430 -1.115 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001194244029 782032852 /nfs/dbraw/zinc/03/28/52/782032852.db2.gz IDTDPDUNAYLFHD-JHJVBQTASA-N 1 1 317.430 -1.115 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238758 782032922 /nfs/dbraw/zinc/03/29/22/782032922.db2.gz PMYAAYVKWDSTSF-NSHDSACASA-N 1 1 310.358 -2.081 20 0 DAADMO C[N@H+](CCF)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238718 782033318 /nfs/dbraw/zinc/03/33/18/782033318.db2.gz OYJDDZIKZMBQLQ-NSHDSACASA-N 1 1 312.349 -1.104 20 0 DAADMO C[N@@H+](CCF)[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)C1 ZINC001194238718 782033327 /nfs/dbraw/zinc/03/33/27/782033327.db2.gz OYJDDZIKZMBQLQ-NSHDSACASA-N 1 1 312.349 -1.104 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001194376142 782034221 /nfs/dbraw/zinc/03/42/21/782034221.db2.gz REONIDYIUXYKRW-CHWSQXEVSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194376142 782034229 /nfs/dbraw/zinc/03/42/29/782034229.db2.gz REONIDYIUXYKRW-CHWSQXEVSA-N 1 1 312.370 -1.244 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194328957 782034379 /nfs/dbraw/zinc/03/43/79/782034379.db2.gz GFTPJMWXNKUOQM-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194328957 782034389 /nfs/dbraw/zinc/03/43/89/782034389.db2.gz GFTPJMWXNKUOQM-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329003 782034661 /nfs/dbraw/zinc/03/46/61/782034661.db2.gz HKKIDNFAFMXWHT-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329003 782034670 /nfs/dbraw/zinc/03/46/70/782034670.db2.gz HKKIDNFAFMXWHT-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001194365647 782035063 /nfs/dbraw/zinc/03/50/63/782035063.db2.gz PVOICWUQZSIALP-OASPWFOLSA-N 1 1 324.381 -1.319 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001194329263 782035493 /nfs/dbraw/zinc/03/54/93/782035493.db2.gz NNUBJUXTIYXTNC-IVZWLZJFSA-N 1 1 321.324 -1.435 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001194321009 782035912 /nfs/dbraw/zinc/03/59/12/782035912.db2.gz COARCBGFAILHON-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001194321009 782035920 /nfs/dbraw/zinc/03/59/20/782035920.db2.gz COARCBGFAILHON-QJPTWQEYSA-N 1 1 315.370 -2.317 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001194329439 782037236 /nfs/dbraw/zinc/03/72/36/782037236.db2.gz OSSGSPIESJDEKH-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001194472626 782037514 /nfs/dbraw/zinc/03/75/14/782037514.db2.gz WZVHRRBRTVKEFU-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001194472626 782037521 /nfs/dbraw/zinc/03/75/21/782037521.db2.gz WZVHRRBRTVKEFU-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194424837 782037560 /nfs/dbraw/zinc/03/75/60/782037560.db2.gz ZHYQMJQTGJYWSA-VXGBXAGGSA-N 1 1 316.402 -2.404 20 0 DAADMO O=C(C[N@@H+]1CCNC(=O)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000065954978 262484096 /nfs/dbraw/zinc/48/40/96/262484096.db2.gz QHEAZJRLIRBPNM-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO O=C(C[N@H+]1CCNC(=O)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000065954978 262484100 /nfs/dbraw/zinc/48/41/00/262484100.db2.gz QHEAZJRLIRBPNM-UHFFFAOYSA-N 1 1 308.382 -1.111 20 0 DAADMO Cn1c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329909776 262502552 /nfs/dbraw/zinc/50/25/52/262502552.db2.gz MTTJJZIDSOXRMC-RKDXNWHRSA-N 1 1 320.353 -1.108 20 0 DAADMO C[C@H]1C[C@@H](O)C[N@H+]1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000331696495 262514396 /nfs/dbraw/zinc/51/43/96/262514396.db2.gz ADUDZFXWLYGFAH-VHSXEESVSA-N 1 1 307.354 -1.111 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000362647728 262596495 /nfs/dbraw/zinc/59/64/95/262596495.db2.gz HCBNMWMRYIYFDJ-NSHDSACASA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000428490914 262624803 /nfs/dbraw/zinc/62/48/03/262624803.db2.gz QGVRQHZPGUGPPJ-GVXVVHGQSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC(C)(CO)CO ZINC000432428778 262629166 /nfs/dbraw/zinc/62/91/66/262629166.db2.gz BDJKOFQTUGOXAA-NSHDSACASA-N 1 1 301.387 -1.367 20 0 DAADMO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC(C)(CO)CO ZINC000432428778 262629168 /nfs/dbraw/zinc/62/91/68/262629168.db2.gz BDJKOFQTUGOXAA-NSHDSACASA-N 1 1 301.387 -1.367 20 0 DAADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000515113747 262656642 /nfs/dbraw/zinc/65/66/42/262656642.db2.gz YOMQJIWWGZTTJV-UHFFFAOYSA-N 1 1 324.389 -1.484 20 0 DAADMO CC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[N@H+]1C[C@H](C)O ZINC000331322532 263217919 /nfs/dbraw/zinc/21/79/19/263217919.db2.gz MINJKLGESUJBAJ-WDEREUQCSA-N 1 1 322.431 -1.656 20 0 DAADMO C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[N@@H+]1CCO ZINC000330324228 263218102 /nfs/dbraw/zinc/21/81/02/263218102.db2.gz UALUEZSVEZOADG-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000330324228 263218105 /nfs/dbraw/zinc/21/81/05/263218105.db2.gz UALUEZSVEZOADG-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO NC(=O)CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353813097 263218914 /nfs/dbraw/zinc/21/89/14/263218914.db2.gz WEQHVHHGSYJRLP-UHFFFAOYSA-N 1 1 306.370 -1.020 20 0 DAADMO C[C@@]1(C(N)=O)CCN(CC(O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361556032 263220017 /nfs/dbraw/zinc/22/00/17/263220017.db2.gz DTAZAAUUSUNNGZ-HUUCEWRRSA-N 1 1 312.414 -1.258 20 0 DAADMO C[C@@]1(C(N)=O)CCN(CC(O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361556032 263220018 /nfs/dbraw/zinc/22/00/18/263220018.db2.gz DTAZAAUUSUNNGZ-HUUCEWRRSA-N 1 1 312.414 -1.258 20 0 DAADMO C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000244303033 263220828 /nfs/dbraw/zinc/22/08/28/263220828.db2.gz WYWXKUQXJPZXLS-AWEZNQCLSA-N 1 1 324.425 -1.059 20 0 DAADMO C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)[NH+]1CCSCC1 ZINC000330791880 263222030 /nfs/dbraw/zinc/22/20/30/263222030.db2.gz DEOWLCJLWBFNKC-SNVBAGLBSA-N 1 1 324.472 -1.064 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)[C@H](C)C1 ZINC000350088144 263222209 /nfs/dbraw/zinc/22/22/09/263222209.db2.gz LCDWCHITLPGRAU-MNOVXSKESA-N 1 1 322.431 -1.368 20 0 DAADMO Cn1cnn(CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1=O ZINC000352437024 263222493 /nfs/dbraw/zinc/22/24/93/263222493.db2.gz LFMVXJSXJSDOHQ-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347542938 263223430 /nfs/dbraw/zinc/22/34/30/263223430.db2.gz HAENLBUNIQDBQV-SNVBAGLBSA-N 1 1 321.399 -1.239 20 0 DAADMO Cn1ccnc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1=O ZINC000347203230 263223964 /nfs/dbraw/zinc/22/39/64/263223964.db2.gz LHLOGYIIFPFJBS-LBPRGKRZSA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1ccnc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1=O ZINC000347203230 263223967 /nfs/dbraw/zinc/22/39/67/263223967.db2.gz LHLOGYIIFPFJBS-LBPRGKRZSA-N 1 1 321.381 -1.241 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H](O)CN1CCOCC1 ZINC000435538645 263226832 /nfs/dbraw/zinc/22/68/32/263226832.db2.gz XSLBJYHXAQIHEE-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H](O)CN1CCOCC1 ZINC000435538645 263226833 /nfs/dbraw/zinc/22/68/33/263226833.db2.gz XSLBJYHXAQIHEE-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CNC(=O)CCCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000341016114 263227537 /nfs/dbraw/zinc/22/75/37/263227537.db2.gz LPPJIPHUAWIYDN-CQSZACIVSA-N 1 1 316.402 -1.105 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000347804889 263227905 /nfs/dbraw/zinc/22/79/05/263227905.db2.gz IYTBSAMJTJDBRI-UHFFFAOYSA-N 1 1 320.353 -1.128 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416311345 263228069 /nfs/dbraw/zinc/22/80/69/263228069.db2.gz OZYKVXDFZSYEAJ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828029 263228095 /nfs/dbraw/zinc/22/80/95/263228095.db2.gz VKTJWZRTAQHPQB-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000344025555 263229439 /nfs/dbraw/zinc/22/94/39/263229439.db2.gz YDJIKSXKEJTMSM-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO CC[N@@H+](CCNC(=O)C(=O)NCc1cc(C(N)=O)no1)C1CC1 ZINC000359258498 263229767 /nfs/dbraw/zinc/22/97/67/263229767.db2.gz DTBUCLSJPQWBQL-UHFFFAOYSA-N 1 1 323.353 -1.010 20 0 DAADMO O=S(=O)(C1COC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330221940 263230112 /nfs/dbraw/zinc/23/01/12/263230112.db2.gz RJDFHIMCMHSKOV-UHFFFAOYSA-N 1 1 320.411 -1.126 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000351505069 263230400 /nfs/dbraw/zinc/23/04/00/263230400.db2.gz LOENNUDXIHEWJB-UONOGXRCSA-N 1 1 315.414 -1.095 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C2(S(C)(=O)=O)CC2)CC1 ZINC000331516831 263231063 /nfs/dbraw/zinc/23/10/63/263231063.db2.gz MJJMLPKVRSQBOM-UHFFFAOYSA-N 1 1 317.411 -1.156 20 0 DAADMO CC(C)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341477875 263231836 /nfs/dbraw/zinc/23/18/36/263231836.db2.gz PYULBZRJXXMBBW-NEPJUHHUSA-N 1 1 319.427 -1.402 20 0 DAADMO Cn1c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329720405 263232273 /nfs/dbraw/zinc/23/22/73/263232273.db2.gz MTTJJZIDSOXRMC-DTWKUNHWSA-N 1 1 320.353 -1.108 20 0 DAADMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCN(C)CC3)CC2)C1=O ZINC000329104473 263232365 /nfs/dbraw/zinc/23/23/65/263232365.db2.gz CNUASIPSYIQRQC-UHFFFAOYSA-N 1 1 323.397 -1.019 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000496994512 263234418 /nfs/dbraw/zinc/23/44/18/263234418.db2.gz BBUCFRUXLSONAN-GHMZBOCLSA-N 1 1 310.354 -1.140 20 0 DAADMO CNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000355367376 263234768 /nfs/dbraw/zinc/23/47/68/263234768.db2.gz OGIAJBIETCBORY-QWRGUYRKSA-N 1 1 322.431 -1.368 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000420148372 263234774 /nfs/dbraw/zinc/23/47/74/263234774.db2.gz FMUNHHHECMCGAN-IUCAKERBSA-N 1 1 318.324 -1.034 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358188208 263235437 /nfs/dbraw/zinc/23/54/37/263235437.db2.gz TXRRLVDHDNHCPH-NXEZZACHSA-N 1 1 321.399 -1.335 20 0 DAADMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358188208 263235439 /nfs/dbraw/zinc/23/54/39/263235439.db2.gz TXRRLVDHDNHCPH-NXEZZACHSA-N 1 1 321.399 -1.335 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000330849650 263235565 /nfs/dbraw/zinc/23/55/65/263235565.db2.gz ZJMIGRWJAXBHPM-UHFFFAOYSA-N 1 1 320.415 -1.842 20 0 DAADMO COCCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000416589514 263236029 /nfs/dbraw/zinc/23/60/29/263236029.db2.gz RQWOLGNMZCBFSY-NSHDSACASA-N 1 1 323.415 -1.154 20 0 DAADMO CCN(CCO)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000340786751 263236052 /nfs/dbraw/zinc/23/60/52/263236052.db2.gz ZLIZCQFKJYLMAO-ZDUSSCGKSA-N 1 1 314.430 -1.173 20 0 DAADMO O=C([C@H]1CNCCO1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000444161378 263236508 /nfs/dbraw/zinc/23/65/08/263236508.db2.gz OEPRKPKBWQOPAT-QWHCGFSZSA-N 1 1 310.398 -1.355 20 0 DAADMO Cn1c2ncn(CC[N@@H+]3CCC[C@H]3C(N)=O)c2c(=O)n(C)c1=O ZINC000176233648 263236623 /nfs/dbraw/zinc/23/66/23/263236623.db2.gz NQXLQSCPPPXSMH-VIFPVBQESA-N 1 1 320.353 -1.617 20 0 DAADMO Cn1c2ncn(CC[N@H+]3CCC[C@H]3C(N)=O)c2c(=O)n(C)c1=O ZINC000176233648 263236625 /nfs/dbraw/zinc/23/66/25/263236625.db2.gz NQXLQSCPPPXSMH-VIFPVBQESA-N 1 1 320.353 -1.617 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N3CCNC3=O)C2)nn1 ZINC000355072942 263236659 /nfs/dbraw/zinc/23/66/59/263236659.db2.gz YSNNUPHNKFOSJV-SECBINFHSA-N 1 1 322.325 -1.137 20 0 DAADMO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)nn1 ZINC000355072942 263236660 /nfs/dbraw/zinc/23/66/60/263236660.db2.gz YSNNUPHNKFOSJV-SECBINFHSA-N 1 1 322.325 -1.137 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000331343299 263236999 /nfs/dbraw/zinc/23/69/99/263236999.db2.gz ZFAKBJNRZWAAHS-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000331343299 263237001 /nfs/dbraw/zinc/23/70/01/263237001.db2.gz ZFAKBJNRZWAAHS-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@](C)(O)CN2CCOCC2)C1 ZINC000331208094 263238007 /nfs/dbraw/zinc/23/80/07/263238007.db2.gz FOZWJVSXSCBPPU-JSGCOSHPSA-N 1 1 301.387 -1.484 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@H](O)CN1CCOCC1 ZINC000435538647 263238780 /nfs/dbraw/zinc/23/87/80/263238780.db2.gz XSLBJYHXAQIHEE-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@H](O)CN1CCOCC1 ZINC000435538647 263238781 /nfs/dbraw/zinc/23/87/81/263238781.db2.gz XSLBJYHXAQIHEE-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CCCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000341455149 263239640 /nfs/dbraw/zinc/23/96/40/263239640.db2.gz DLTHZIASUXFAAL-NEPJUHHUSA-N 1 1 319.427 -1.400 20 0 DAADMO CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000451154448 263239890 /nfs/dbraw/zinc/23/98/90/263239890.db2.gz LDEKRMYUARTNKU-ZDUSSCGKSA-N 1 1 314.430 -1.079 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000331437945 263241468 /nfs/dbraw/zinc/24/14/68/263241468.db2.gz SBLDSLCVHWRDDT-FOGDFJRCSA-N 1 1 308.382 -1.068 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000367817072 263242100 /nfs/dbraw/zinc/24/21/00/263242100.db2.gz WKTMTLJAOYANJK-SNVBAGLBSA-N 1 1 302.327 -1.070 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000367817072 263242102 /nfs/dbraw/zinc/24/21/02/263242102.db2.gz WKTMTLJAOYANJK-SNVBAGLBSA-N 1 1 302.327 -1.070 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC000357328345 263242373 /nfs/dbraw/zinc/24/23/73/263242373.db2.gz JENOONLYSXCNOM-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000370774555 263243677 /nfs/dbraw/zinc/24/36/77/263243677.db2.gz QCLOHEHDVVDSPH-SDBXPKJASA-N 1 1 311.342 -1.153 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000370774555 263243680 /nfs/dbraw/zinc/24/36/80/263243680.db2.gz QCLOHEHDVVDSPH-SDBXPKJASA-N 1 1 311.342 -1.153 20 0 DAADMO COCCN1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1=O ZINC000420155290 263244169 /nfs/dbraw/zinc/24/41/69/263244169.db2.gz UIUNTFRLDMMIJX-UHFFFAOYSA-N 1 1 322.312 -1.986 20 0 DAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000361589664 263244418 /nfs/dbraw/zinc/24/44/18/263244418.db2.gz QOUUHNASWAKNGC-NSHDSACASA-N 1 1 324.385 -1.150 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000184058167 263244716 /nfs/dbraw/zinc/24/47/16/263244716.db2.gz FYEOEYDKASAWPV-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000354521383 263244732 /nfs/dbraw/zinc/24/47/32/263244732.db2.gz HYYBTWCIMORBDP-VHSXEESVSA-N 1 1 322.431 -1.376 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000358553981 263244793 /nfs/dbraw/zinc/24/47/93/263244793.db2.gz AOPLABAZOIVMFE-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000345512051 263245762 /nfs/dbraw/zinc/24/57/62/263245762.db2.gz KBXXKIUANXLQND-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000345512051 263245765 /nfs/dbraw/zinc/24/57/65/263245765.db2.gz KBXXKIUANXLQND-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285613 263245902 /nfs/dbraw/zinc/24/59/02/263245902.db2.gz ZDPDPRNFKAIYCF-WDEREUQCSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330285613 263245904 /nfs/dbraw/zinc/24/59/04/263245904.db2.gz ZDPDPRNFKAIYCF-WDEREUQCSA-N 1 1 322.369 -1.129 20 0 DAADMO C[C@H]1C(=O)NCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347974931 263246491 /nfs/dbraw/zinc/24/64/91/263246491.db2.gz WOPBXMMCGQOJSV-WDEREUQCSA-N 1 1 311.386 -2.305 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000353252043 263247368 /nfs/dbraw/zinc/24/73/68/263247368.db2.gz GUJAVHRHZKYGEJ-NSHDSACASA-N 1 1 323.415 -1.483 20 0 DAADMO COC(=O)CN(CC(=O)OC)C[C@@H](O)C[NH+]1CCOCC1 ZINC000314678220 263248416 /nfs/dbraw/zinc/24/84/16/263248416.db2.gz JDBQGBZRPCOFGO-NSHDSACASA-N 1 1 304.343 -1.673 20 0 DAADMO COC(=O)CCN(C)S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358217087 263249482 /nfs/dbraw/zinc/24/94/82/263249482.db2.gz VFJKPLGEXWDRLJ-NSHDSACASA-N 1 1 309.388 -1.618 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)c(=O)n(C)c1=O ZINC000377609622 263249582 /nfs/dbraw/zinc/24/95/82/263249582.db2.gz YEICKMBLZHXLLJ-MRVPVSSYSA-N 1 1 323.353 -1.954 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)c(=O)n(C)c1=O ZINC000377609622 263249583 /nfs/dbraw/zinc/24/95/83/263249583.db2.gz YEICKMBLZHXLLJ-MRVPVSSYSA-N 1 1 323.353 -1.954 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000331437949 263250287 /nfs/dbraw/zinc/25/02/87/263250287.db2.gz SBLDSLCVHWRDDT-SCVCMEIPSA-N 1 1 308.382 -1.068 20 0 DAADMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000328906643 263250381 /nfs/dbraw/zinc/25/03/81/263250381.db2.gz BOXFOHAKLAWKAY-VXGBXAGGSA-N 1 1 305.400 -1.032 20 0 DAADMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCOCC3)[C@@H]2C1 ZINC000328906643 263250383 /nfs/dbraw/zinc/25/03/83/263250383.db2.gz BOXFOHAKLAWKAY-VXGBXAGGSA-N 1 1 305.400 -1.032 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCCS(=O)(=O)NC)C1 ZINC000330631969 263251094 /nfs/dbraw/zinc/25/10/94/263251094.db2.gz QIFCTQOYFUNESV-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000330631969 263251096 /nfs/dbraw/zinc/25/10/96/263251096.db2.gz QIFCTQOYFUNESV-JTQLQIEISA-N 1 1 313.445 -1.061 20 0 DAADMO COc1ccnc(N2CCN(C(=O)C(=O)NCC[NH3+])CC2)c1 ZINC000419817355 263251199 /nfs/dbraw/zinc/25/11/99/263251199.db2.gz LTJWWXIHRSJXKO-UHFFFAOYSA-N 1 1 307.354 -1.186 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](CO)C1 ZINC000357582594 263251938 /nfs/dbraw/zinc/25/19/38/263251938.db2.gz TXQGGIUYKWKMKW-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)S(C)(=O)=O ZINC000362661955 263252044 /nfs/dbraw/zinc/25/20/44/263252044.db2.gz HEQYNYUJAOLBRV-WDEREUQCSA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000358051998 263252639 /nfs/dbraw/zinc/25/26/39/263252639.db2.gz ZKLFARKTAMQNAH-GFCCVEGCSA-N 1 1 324.381 -1.226 20 0 DAADMO NS(=O)(=O)CCN1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000516660132 263252715 /nfs/dbraw/zinc/25/27/15/263252715.db2.gz MFFSUGAGJGZIOI-UHFFFAOYSA-N 1 1 314.358 -1.597 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347309281 263252838 /nfs/dbraw/zinc/25/28/38/263252838.db2.gz KWUXEASHUXLKQW-PHIMTYICSA-N 1 1 301.387 -1.165 20 0 DAADMO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347309281 263252841 /nfs/dbraw/zinc/25/28/41/263252841.db2.gz KWUXEASHUXLKQW-PHIMTYICSA-N 1 1 301.387 -1.165 20 0 DAADMO COCCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000347889807 263253196 /nfs/dbraw/zinc/25/31/96/263253196.db2.gz SCYGZADFHAFRFE-CHWSQXEVSA-N 1 1 312.414 -1.157 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCS(N)(=O)=O ZINC000349721141 263253806 /nfs/dbraw/zinc/25/38/06/263253806.db2.gz GVVUNIMWCRHZKY-JTQLQIEISA-N 1 1 308.404 -1.315 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000331378932 263253855 /nfs/dbraw/zinc/25/38/55/263253855.db2.gz IDGNXXAYLULJET-PWSUYJOCSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000345512053 263255554 /nfs/dbraw/zinc/25/55/54/263255554.db2.gz KBXXKIUANXLQND-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000345512053 263255556 /nfs/dbraw/zinc/25/55/56/263255556.db2.gz KBXXKIUANXLQND-WDEREUQCSA-N 1 1 305.400 -1.156 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412028480 263257864 /nfs/dbraw/zinc/25/78/64/263257864.db2.gz BHAYDCRSZVAQIN-LPEHRKFASA-N 1 1 324.381 -1.060 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412028480 263257865 /nfs/dbraw/zinc/25/78/65/263257865.db2.gz BHAYDCRSZVAQIN-LPEHRKFASA-N 1 1 324.381 -1.060 20 0 DAADMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC000411025048 263258365 /nfs/dbraw/zinc/25/83/65/263258365.db2.gz ALWSNWRCKBUONN-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1=O ZINC000377476410 263258414 /nfs/dbraw/zinc/25/84/14/263258414.db2.gz YLSCJQIDIVIRRG-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000333304844 263259038 /nfs/dbraw/zinc/25/90/38/263259038.db2.gz MXLKAVFLEXPZFQ-YUMQZZPRSA-N 1 1 320.353 -1.283 20 0 DAADMO O=C([C@H]1CCC(=O)NC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362650108 263260217 /nfs/dbraw/zinc/26/02/17/263260217.db2.gz SVWYVALPDXGLCK-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[N@@H+]1CCO ZINC000408377796 263260260 /nfs/dbraw/zinc/26/02/60/263260260.db2.gz ZSZCBZIMMCPJQO-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)CC[N@H+]1CCO ZINC000408377796 263260261 /nfs/dbraw/zinc/26/02/61/263260261.db2.gz ZSZCBZIMMCPJQO-SNVBAGLBSA-N 1 1 307.416 -1.161 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(=O)n(C)c1=O ZINC000329624759 263261789 /nfs/dbraw/zinc/26/17/89/263261789.db2.gz GHRHBKIXLAYPCQ-LPEHRKFASA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(=O)n(C)c1=O ZINC000329624759 263261791 /nfs/dbraw/zinc/26/17/91/263261791.db2.gz GHRHBKIXLAYPCQ-LPEHRKFASA-N 1 1 322.365 -1.448 20 0 DAADMO CCN(CC(C)(C)O)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347958274 263261798 /nfs/dbraw/zinc/26/17/98/263261798.db2.gz DWRQDAXWVYATMX-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000347965317 263262114 /nfs/dbraw/zinc/26/21/14/263262114.db2.gz KZBOGXKQSPTTDV-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362647544 263264466 /nfs/dbraw/zinc/26/44/66/263264466.db2.gz FTYYLFIGUAQTRL-JTQLQIEISA-N 1 1 318.399 -2.042 20 0 DAADMO CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000348604212 263264632 /nfs/dbraw/zinc/26/46/32/263264632.db2.gz XYNHGARCOMJHFW-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000360906144 263264659 /nfs/dbraw/zinc/26/46/59/263264659.db2.gz IMIWHYAPODFJPF-NSHDSACASA-N 1 1 308.404 -1.756 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCOC(C)(C)C1 ZINC000347956074 263265081 /nfs/dbraw/zinc/26/50/81/263265081.db2.gz BZTHLNZTUIZOGD-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cn2cncn2)C1 ZINC000357479730 263267183 /nfs/dbraw/zinc/26/71/83/263267183.db2.gz SVRIPXIIENROTK-NEPJUHHUSA-N 1 1 324.385 -1.380 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C(N)=O)nn3)C2)C1 ZINC000354694961 263269508 /nfs/dbraw/zinc/26/95/08/263269508.db2.gz UYOVPDKJANVJGL-LLVKDONJSA-N 1 1 308.342 -1.519 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc(C(N)=O)nn3)C2)C1 ZINC000354694961 263269510 /nfs/dbraw/zinc/26/95/10/263269510.db2.gz UYOVPDKJANVJGL-LLVKDONJSA-N 1 1 308.342 -1.519 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000371027501 263269635 /nfs/dbraw/zinc/26/96/35/263269635.db2.gz IQHXZIWUTFNGGX-CQSZACIVSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828027 263270370 /nfs/dbraw/zinc/27/03/70/263270370.db2.gz VKTJWZRTAQHPQB-MNOVXSKESA-N 1 1 311.386 -1.273 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(=O)n(C)c1=O ZINC000329624754 263271082 /nfs/dbraw/zinc/27/10/82/263271082.db2.gz GHRHBKIXLAYPCQ-AEJSXWLSSA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(=O)n(C)c1=O ZINC000329624754 263271083 /nfs/dbraw/zinc/27/10/83/263271083.db2.gz GHRHBKIXLAYPCQ-AEJSXWLSSA-N 1 1 322.365 -1.448 20 0 DAADMO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359490692 263271365 /nfs/dbraw/zinc/27/13/65/263271365.db2.gz LDRLGOVJHGNDQD-JTQLQIEISA-N 1 1 322.431 -1.372 20 0 DAADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000330489920 263272853 /nfs/dbraw/zinc/27/28/53/263272853.db2.gz MWZFGRKQONVBBG-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(NCC1CC1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000516182621 263272875 /nfs/dbraw/zinc/27/28/75/263272875.db2.gz AZOOMVLASFGHJX-GFCCVEGCSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256870 263273283 /nfs/dbraw/zinc/27/32/83/263273283.db2.gz PNHMVLNHHPCLBY-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000451256870 263273286 /nfs/dbraw/zinc/27/32/86/263273286.db2.gz PNHMVLNHHPCLBY-VHSXEESVSA-N 1 1 324.381 -1.058 20 0 DAADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000361089229 263273877 /nfs/dbraw/zinc/27/38/77/263273877.db2.gz SJOYVVWDTCFKLT-VIFPVBQESA-N 1 1 306.388 -1.154 20 0 DAADMO COC(=O)CN(CC(=O)OC)CC(=O)N1CC[NH+](C)CC1 ZINC000061876399 263274933 /nfs/dbraw/zinc/27/49/33/263274933.db2.gz LWINHWSYBPGDMA-UHFFFAOYSA-N 1 1 301.343 -1.592 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000358559740 263275277 /nfs/dbraw/zinc/27/52/77/263275277.db2.gz KTECNUHRHNFJCC-UHFFFAOYSA-N 1 1 302.375 -1.725 20 0 DAADMO CCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000359407294 263276508 /nfs/dbraw/zinc/27/65/08/263276508.db2.gz CNBGPZWTVAVWLC-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353503036 263276809 /nfs/dbraw/zinc/27/68/09/263276809.db2.gz SVGGYKSXOWXKQZ-MNOVXSKESA-N 1 1 313.402 -1.752 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NCCN1CCNC(=O)C1 ZINC000358451802 263277235 /nfs/dbraw/zinc/27/72/35/263277235.db2.gz JCCAMXYTDJXNJU-UHFFFAOYSA-N 1 1 315.418 -1.314 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000372558237 263277479 /nfs/dbraw/zinc/27/74/79/263277479.db2.gz RZQJYIHMQJEQQI-JOYOIKCWSA-N 1 1 302.327 -1.336 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000372558237 263277481 /nfs/dbraw/zinc/27/74/81/263277481.db2.gz RZQJYIHMQJEQQI-JOYOIKCWSA-N 1 1 302.327 -1.336 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000332018547 263277649 /nfs/dbraw/zinc/27/76/49/263277649.db2.gz QJVOMYXBJQQAGK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000248435956 263277916 /nfs/dbraw/zinc/27/79/16/263277916.db2.gz FYEOEYDKASAWPV-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000496605965 263278357 /nfs/dbraw/zinc/27/83/57/263278357.db2.gz IYHUYLFNTTYVBK-UHFFFAOYSA-N 1 1 322.312 -1.003 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000331150976 263278597 /nfs/dbraw/zinc/27/85/97/263278597.db2.gz BRDKGJUNSUBIOM-SNVBAGLBSA-N 1 1 308.404 -1.734 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000331150976 263278600 /nfs/dbraw/zinc/27/86/00/263278600.db2.gz BRDKGJUNSUBIOM-SNVBAGLBSA-N 1 1 308.404 -1.734 20 0 DAADMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000505355642 263279481 /nfs/dbraw/zinc/27/94/81/263279481.db2.gz KZIGYJUBSVJBRV-LBPRGKRZSA-N 1 1 311.386 -1.113 20 0 DAADMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262200553 263279669 /nfs/dbraw/zinc/27/96/69/263279669.db2.gz ICRJAFRDAGFWHK-BZPMIXESSA-N 1 1 310.398 -1.214 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000408402941 263279777 /nfs/dbraw/zinc/27/97/77/263279777.db2.gz JTMWIPBPTYWQPD-NSHDSACASA-N 1 1 305.400 -1.284 20 0 DAADMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000340931847 263280331 /nfs/dbraw/zinc/28/03/31/263280331.db2.gz OWEKPPQRROORKG-STQMWFEESA-N 1 1 312.414 -1.326 20 0 DAADMO COC[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355088488 263281443 /nfs/dbraw/zinc/28/14/43/263281443.db2.gz ONAYLWZUJXHKQK-NEPJUHHUSA-N 1 1 300.403 -1.253 20 0 DAADMO C[NH+](CCOCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352798056 263282278 /nfs/dbraw/zinc/28/22/78/263282278.db2.gz XCKIXSRNFPTLRU-SYQHCUMBSA-N 1 1 304.387 -1.614 20 0 DAADMO C[NH+](CCOCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352798056 263282280 /nfs/dbraw/zinc/28/22/80/263282280.db2.gz XCKIXSRNFPTLRU-SYQHCUMBSA-N 1 1 304.387 -1.614 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000361626927 263282735 /nfs/dbraw/zinc/28/27/35/263282735.db2.gz YTACOGLZSTXYFZ-ZIAGYGMSSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(CN1CCCS1(=O)=O)NCCC[NH+]1CCOCC1 ZINC000344017800 263282745 /nfs/dbraw/zinc/28/27/45/263282745.db2.gz ONRUXAXFWKOFMI-UHFFFAOYSA-N 1 1 305.400 -1.140 20 0 DAADMO C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCNCC2)CCSC1 ZINC000419581284 263283202 /nfs/dbraw/zinc/28/32/02/263283202.db2.gz JIDVPUWWHBOITQ-ZDUSSCGKSA-N 1 1 300.428 -1.028 20 0 DAADMO C[C@H](CO)Nc1nc(N2CCOCC2)nc(N[C@H](C)CO)[nH+]1 ZINC000358455493 263283521 /nfs/dbraw/zinc/28/35/21/263283521.db2.gz FSQRQISJIYZUCP-NXEZZACHSA-N 1 1 312.374 -1.863 20 0 DAADMO CN(C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC000352570687 263283786 /nfs/dbraw/zinc/28/37/86/263283786.db2.gz KXABZIPOLAMOQG-SECBINFHSA-N 1 1 306.388 -1.215 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1)S(C)(=O)=O ZINC000352570687 263283787 /nfs/dbraw/zinc/28/37/87/263283787.db2.gz KXABZIPOLAMOQG-SECBINFHSA-N 1 1 306.388 -1.215 20 0 DAADMO COC[C@@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000355088490 263285051 /nfs/dbraw/zinc/28/50/51/263285051.db2.gz ONAYLWZUJXHKQK-RYUDHWBXSA-N 1 1 300.403 -1.253 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC(=O)N1 ZINC000369348353 263285952 /nfs/dbraw/zinc/28/59/52/263285952.db2.gz SRJPVZVCAWRJSS-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO COCC[N@H+](CCCN1C(=O)CNC1=O)CC(=O)N(C)C ZINC000355753194 263286275 /nfs/dbraw/zinc/28/62/75/263286275.db2.gz RIMFYODQVNEXLX-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COCC[N@@H+](CCCN1C(=O)CNC1=O)CC(=O)N(C)C ZINC000355753194 263286278 /nfs/dbraw/zinc/28/62/78/263286278.db2.gz RIMFYODQVNEXLX-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC(F)F ZINC000444180696 263287222 /nfs/dbraw/zinc/28/72/22/263287222.db2.gz HFCYGKKHCHSNGL-MRVPVSSYSA-N 1 1 306.313 -1.176 20 0 DAADMO C[C@H](O)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@@H](C)CO ZINC000355127550 263287596 /nfs/dbraw/zinc/28/75/96/263287596.db2.gz GMOATJQEYQJONN-SRVKXCTJSA-N 1 1 313.398 -1.071 20 0 DAADMO COCC[NH+]1CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC1 ZINC000362770745 263287968 /nfs/dbraw/zinc/28/79/68/263287968.db2.gz UPJDCQMCUURVKZ-LBPRGKRZSA-N 1 1 301.387 -1.090 20 0 DAADMO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)CO)CC2)C1 ZINC000348319878 263288266 /nfs/dbraw/zinc/28/82/66/263288266.db2.gz OZFQCLDBQYRBLQ-LBPRGKRZSA-N 1 1 319.427 -1.206 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC[N@@H+](C)CCOC)C1 ZINC000371007324 263288456 /nfs/dbraw/zinc/28/84/56/263288456.db2.gz UQJXPMJONAOLFL-LLVKDONJSA-N 1 1 322.431 -1.102 20 0 DAADMO NC(=O)C[C@@H]([NH3+])C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000353476258 263290458 /nfs/dbraw/zinc/29/04/58/263290458.db2.gz YVJXVFXHXOMDHO-SNVBAGLBSA-N 1 1 304.306 -1.399 20 0 DAADMO CCN(CCO)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340241318 263291888 /nfs/dbraw/zinc/29/18/88/263291888.db2.gz PBEYZCUIEDYZHA-UHFFFAOYSA-N 1 1 314.386 -1.893 20 0 DAADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNC(=O)C3)C2)C1 ZINC000514658740 263292174 /nfs/dbraw/zinc/29/21/74/263292174.db2.gz PIBGYKUPPPRRJT-OAHLLOKOSA-N 1 1 308.382 -1.111 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H](C)S1(=O)=O ZINC000423586380 263293420 /nfs/dbraw/zinc/29/34/20/263293420.db2.gz BBHWXUXGRQZDLM-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)NCCN1C(=O)CNC1=O ZINC000355500645 263293433 /nfs/dbraw/zinc/29/34/33/263293433.db2.gz FATFEMVJSUYKJU-UHFFFAOYSA-N 1 1 315.374 -1.194 20 0 DAADMO CCCCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358057157 263293682 /nfs/dbraw/zinc/29/36/82/263293682.db2.gz ONAHMDACXUPLCL-GFCCVEGCSA-N 1 1 307.416 -1.111 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000343082972 263294588 /nfs/dbraw/zinc/29/45/88/263294588.db2.gz GBDLZGCAQJRZNZ-AGIUHOORSA-N 1 1 312.414 -1.171 20 0 DAADMO COCC(=O)N[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000358076103 263295800 /nfs/dbraw/zinc/29/58/00/263295800.db2.gz URRJDJZMXQYGDW-TZMCWYRMSA-N 1 1 301.387 -1.044 20 0 DAADMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1C(=O)CCC1=O ZINC000520766236 263295818 /nfs/dbraw/zinc/29/58/18/263295818.db2.gz OSGJMYZUDBIFKG-WDEREUQCSA-N 1 1 324.381 -1.020 20 0 DAADMO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCN1C(=O)CNC1=O ZINC000436063608 263296356 /nfs/dbraw/zinc/29/63/56/263296356.db2.gz UODOTMFQCRYKDC-LLVKDONJSA-N 1 1 311.386 -1.142 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357888998 263297392 /nfs/dbraw/zinc/29/73/92/263297392.db2.gz FVGQMAFDBVOEIK-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357888998 263297394 /nfs/dbraw/zinc/29/73/94/263297394.db2.gz FVGQMAFDBVOEIK-RKDXNWHRSA-N 1 1 306.388 -1.169 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)CN(CC[NH3+])CCO)C1 ZINC000342398371 263298008 /nfs/dbraw/zinc/29/80/08/263298008.db2.gz GEQYJMUUFKGLLP-CQSZACIVSA-N 1 1 316.446 -1.288 20 0 DAADMO COCCCNC(=O)C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000349640328 263298243 /nfs/dbraw/zinc/29/82/43/263298243.db2.gz GDTBLYOLVQZKIX-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000349640328 263298246 /nfs/dbraw/zinc/29/82/46/263298246.db2.gz GDTBLYOLVQZKIX-UHFFFAOYSA-N 1 1 312.370 -1.332 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000330871448 263299192 /nfs/dbraw/zinc/29/91/92/263299192.db2.gz ZVQBACXSVNQHOL-LLVKDONJSA-N 1 1 303.388 -1.674 20 0 DAADMO COCCNC(=O)CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000522273328 263299238 /nfs/dbraw/zinc/29/92/38/263299238.db2.gz YYLPYJJVDHUNBW-CYBMUJFWSA-N 1 1 312.414 -1.155 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419702778 263303904 /nfs/dbraw/zinc/30/39/04/263303904.db2.gz BYPJGTOSSOUXJG-AVGNSLFASA-N 1 1 312.414 -1.063 20 0 DAADMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000352563760 263304817 /nfs/dbraw/zinc/30/48/17/263304817.db2.gz TUODZUNJHRAYJW-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000352563760 263304819 /nfs/dbraw/zinc/30/48/19/263304819.db2.gz TUODZUNJHRAYJW-JTQLQIEISA-N 1 1 318.399 -1.106 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000361200458 263305005 /nfs/dbraw/zinc/30/50/05/263305005.db2.gz IWMURXMZVUIPMM-NWDGAFQWSA-N 1 1 315.370 -1.285 20 0 DAADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000361200458 263305009 /nfs/dbraw/zinc/30/50/09/263305009.db2.gz IWMURXMZVUIPMM-NWDGAFQWSA-N 1 1 315.370 -1.285 20 0 DAADMO C[C@@H](O)CNc1nc(N2CCOCC2)nc(NC[C@@H](C)O)[nH+]1 ZINC000351499699 263306948 /nfs/dbraw/zinc/30/69/48/263306948.db2.gz DGSQQJKVFHHETE-NXEZZACHSA-N 1 1 312.374 -1.863 20 0 DAADMO C[C@@H](O)CNc1nc(NC[C@@H](C)O)[nH+]c(N2CCOCC2)n1 ZINC000351499699 263306950 /nfs/dbraw/zinc/30/69/50/263306950.db2.gz DGSQQJKVFHHETE-NXEZZACHSA-N 1 1 312.374 -1.863 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358724279 263308638 /nfs/dbraw/zinc/30/86/38/263308638.db2.gz QRMHSXYDCCBNTD-HIFRSBDPSA-N 1 1 313.446 -1.012 20 0 DAADMO C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358724279 263308639 /nfs/dbraw/zinc/30/86/39/263308639.db2.gz QRMHSXYDCCBNTD-HIFRSBDPSA-N 1 1 313.446 -1.012 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC(F)F)CC1 ZINC000444265959 263308754 /nfs/dbraw/zinc/30/87/54/263308754.db2.gz KAIHVAVODDCISG-UHFFFAOYSA-N 1 1 306.313 -1.352 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)C1 ZINC000351933305 263309486 /nfs/dbraw/zinc/30/94/86/263309486.db2.gz CGXKPLDKCDGECY-WCQYABFASA-N 1 1 301.387 -1.211 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](CCO)C[C@H](C)O)C1 ZINC000351933305 263309487 /nfs/dbraw/zinc/30/94/87/263309487.db2.gz CGXKPLDKCDGECY-WCQYABFASA-N 1 1 301.387 -1.211 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000332149189 263309720 /nfs/dbraw/zinc/30/97/20/263309720.db2.gz NHQKHKSUJRQCIK-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000376816266 263310025 /nfs/dbraw/zinc/31/00/25/263310025.db2.gz OCAYDPFRIWYMNE-SECBINFHSA-N 1 1 306.388 -1.027 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](C)CC1 ZINC000086961771 263310085 /nfs/dbraw/zinc/31/00/85/263310085.db2.gz UQKKZCOLWHOXES-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO O=C(NC[C@H](O)CN1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372357021 263310879 /nfs/dbraw/zinc/31/08/79/263310879.db2.gz NSZVJYONNJWQRN-UONOGXRCSA-N 1 1 312.414 -1.814 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000428050655 263311553 /nfs/dbraw/zinc/31/15/53/263311553.db2.gz AVEJWSQAQSQVKL-OUAUKWLOSA-N 1 1 315.370 -1.111 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000428050655 263311555 /nfs/dbraw/zinc/31/15/55/263311555.db2.gz AVEJWSQAQSQVKL-OUAUKWLOSA-N 1 1 315.370 -1.111 20 0 DAADMO COCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000331975840 263312784 /nfs/dbraw/zinc/31/27/84/263312784.db2.gz MJYRAXVUSMIDRW-UHFFFAOYSA-N 1 1 306.388 -1.738 20 0 DAADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN(C)S(C)(=O)=O ZINC000330672014 263313032 /nfs/dbraw/zinc/31/30/32/263313032.db2.gz FYBRNMYOALYVGI-UHFFFAOYSA-N 1 1 320.459 -1.026 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000368570525 263313105 /nfs/dbraw/zinc/31/31/05/263313105.db2.gz VSFQDXLYFMAOCH-CHWSQXEVSA-N 1 1 321.443 -1.307 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434717964 263314165 /nfs/dbraw/zinc/31/41/65/263314165.db2.gz KUNKKIXLTIBNSG-KWQFWETISA-N 1 1 312.370 -1.079 20 0 DAADMO CN1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1=O ZINC000362755741 263314266 /nfs/dbraw/zinc/31/42/66/263314266.db2.gz ALALLRYZNUCTLY-MNOVXSKESA-N 1 1 311.386 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408237799 263315124 /nfs/dbraw/zinc/31/51/24/263315124.db2.gz UIFCUGDUZQPGEH-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000408237799 263315125 /nfs/dbraw/zinc/31/51/25/263315125.db2.gz UIFCUGDUZQPGEH-LBPRGKRZSA-N 1 1 324.381 -1.734 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000346571948 263315442 /nfs/dbraw/zinc/31/54/42/263315442.db2.gz VIIFDSJFTWPMSQ-ZDUSSCGKSA-N 1 1 301.387 -1.530 20 0 DAADMO C[C@](O)(CNC(=O)CN1CCCNC1=O)C[NH+]1CCOCC1 ZINC000530878288 263315582 /nfs/dbraw/zinc/31/55/82/263315582.db2.gz ZESCZPILISKHLX-AWEZNQCLSA-N 1 1 314.386 -1.399 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408005546 263317255 /nfs/dbraw/zinc/31/72/55/263317255.db2.gz RCFRQNXMTVNNMU-RYUDHWBXSA-N 1 1 318.443 -1.098 20 0 DAADMO CN(CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC000377472982 263317284 /nfs/dbraw/zinc/31/72/84/263317284.db2.gz PVDZSDUHWDUSSP-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO CNC(=O)CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000355839727 263317329 /nfs/dbraw/zinc/31/73/29/263317329.db2.gz TXGPEVVMDAAKNR-UHFFFAOYSA-N 1 1 310.354 -1.584 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362056218 263317547 /nfs/dbraw/zinc/31/75/47/263317547.db2.gz OPHLQGQKKHRJDG-OPRDCNLKSA-N 1 1 324.381 -1.202 20 0 DAADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362056218 263317549 /nfs/dbraw/zinc/31/75/49/263317549.db2.gz OPHLQGQKKHRJDG-OPRDCNLKSA-N 1 1 324.381 -1.202 20 0 DAADMO CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419231351 263317964 /nfs/dbraw/zinc/31/79/64/263317964.db2.gz ZOMFYLXNTKSRNN-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO CC1=CCN(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419231351 263317965 /nfs/dbraw/zinc/31/79/65/263317965.db2.gz ZOMFYLXNTKSRNN-ZDUSSCGKSA-N 1 1 310.398 -1.059 20 0 DAADMO Cn1cnn(CCC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1=O ZINC000329206044 263318113 /nfs/dbraw/zinc/31/81/13/263318113.db2.gz YAKZKBPYBRLFIM-NWDGAFQWSA-N 1 1 309.370 -1.097 20 0 DAADMO Cn1nnnc1SCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358045991 263318463 /nfs/dbraw/zinc/31/84/63/263318463.db2.gz JWEAMYZDERESFH-LLVKDONJSA-N 1 1 300.388 -1.125 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1O ZINC000351777540 263319282 /nfs/dbraw/zinc/31/92/82/263319282.db2.gz FZOQKDLFCISYFE-QWRGUYRKSA-N 1 1 307.416 -1.303 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCNS(C)(=O)=O)[C@@H](C)C1 ZINC000350088346 263319666 /nfs/dbraw/zinc/31/96/66/263319666.db2.gz LCDWCHITLPGRAU-WDEREUQCSA-N 1 1 322.431 -1.368 20 0 DAADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000358163891 263319738 /nfs/dbraw/zinc/31/97/38/263319738.db2.gz HOZQHXHEFDAEBF-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CNC(=O)C(=O)N(C)CCCO)C[NH+]1CCOCC1 ZINC000357985728 263319987 /nfs/dbraw/zinc/31/99/87/263319987.db2.gz BUICOGYSIAIYTB-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCCO1 ZINC000332018546 263320381 /nfs/dbraw/zinc/32/03/81/263320381.db2.gz QJVOMYXBJQQAGK-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000342479962 263320573 /nfs/dbraw/zinc/32/05/73/263320573.db2.gz NYLOCXJJVRDHLA-NSHDSACASA-N 1 1 322.431 -1.102 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000410600516 263320604 /nfs/dbraw/zinc/32/06/04/263320604.db2.gz FDALAZMLCOJVNK-TUAOUCFPSA-N 1 1 301.387 -1.261 20 0 DAADMO C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000410600516 263320607 /nfs/dbraw/zinc/32/06/07/263320607.db2.gz FDALAZMLCOJVNK-TUAOUCFPSA-N 1 1 301.387 -1.261 20 0 DAADMO CNC(=O)[C@@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CCO1 ZINC000368079059 263322640 /nfs/dbraw/zinc/32/26/40/263322640.db2.gz NALRCOAQYOJSQM-NSHDSACASA-N 1 1 302.375 -1.279 20 0 DAADMO CC[C@H]1CN(C(=O)CN2CCNCC2=O)CC[N@H+]1CCOC ZINC000168072242 263322860 /nfs/dbraw/zinc/32/28/60/263322860.db2.gz NCHJOMIXFSASSU-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO COCC[NH+]1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000488383724 263323013 /nfs/dbraw/zinc/32/30/13/263323013.db2.gz XPNXWLCYJJALJE-UHFFFAOYSA-N 1 1 309.370 -1.033 20 0 DAADMO CC(C)NS(=O)(=O)NCCNC(=O)NCC(F)(F)C[NH3+] ZINC000418067607 263323291 /nfs/dbraw/zinc/32/32/91/263323291.db2.gz BSWDFJGYWXOZOZ-UHFFFAOYSA-N 1 1 317.362 -1.288 20 0 DAADMO Cn1c(N)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(=O)n(C)c1=O ZINC000329624756 263323372 /nfs/dbraw/zinc/32/33/72/263323372.db2.gz GHRHBKIXLAYPCQ-IVZWLZJFSA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1c(N)c(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(=O)n(C)c1=O ZINC000329624756 263323373 /nfs/dbraw/zinc/32/33/73/263323373.db2.gz GHRHBKIXLAYPCQ-IVZWLZJFSA-N 1 1 322.365 -1.448 20 0 DAADMO Cn1cnn(CCC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1=O ZINC000329206043 263324191 /nfs/dbraw/zinc/32/41/91/263324191.db2.gz YAKZKBPYBRLFIM-NEPJUHHUSA-N 1 1 309.370 -1.097 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000443433197 263325483 /nfs/dbraw/zinc/32/54/83/263325483.db2.gz ZPTHSNALURUFIC-JTQLQIEISA-N 1 1 308.404 -1.363 20 0 DAADMO C[C@H](O)C[N@H+]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C ZINC000330683509 263325542 /nfs/dbraw/zinc/32/55/42/263325542.db2.gz ITZKZVOYNZIOOC-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO CN1CCN(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452361313 263325824 /nfs/dbraw/zinc/32/58/24/263325824.db2.gz JXHXQRGRMBFLSV-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO CCOC(=O)[C@H]1C[N@H+](CC(=O)NCC(=O)OC)CC12COC2 ZINC000451128508 263326344 /nfs/dbraw/zinc/32/63/44/263326344.db2.gz BOIFXLUYADCVTC-SNVBAGLBSA-N 1 1 314.338 -1.213 20 0 DAADMO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NCC(=O)OC)CC12COC2 ZINC000451128508 263326346 /nfs/dbraw/zinc/32/63/46/263326346.db2.gz BOIFXLUYADCVTC-SNVBAGLBSA-N 1 1 314.338 -1.213 20 0 DAADMO CN(C)C(=O)CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000355444370 263326368 /nfs/dbraw/zinc/32/63/68/263326368.db2.gz DYKUULRNSFUSOU-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000332385887 263326676 /nfs/dbraw/zinc/32/66/76/263326676.db2.gz PTKRHCSIXLVSQM-PRHODGIISA-N 1 1 308.342 -1.263 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2C)C1 ZINC001194423961 782038287 /nfs/dbraw/zinc/03/82/87/782038287.db2.gz JOZYPYDBLSDNJC-RAIGVLPGSA-N 1 1 310.354 -1.433 20 0 DAADMO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001194492085 782038965 /nfs/dbraw/zinc/03/89/65/782038965.db2.gz FUKNSZOSERGIMZ-CHWSQXEVSA-N 1 1 323.349 -1.213 20 0 DAADMO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001194492085 782038955 /nfs/dbraw/zinc/03/89/55/782038955.db2.gz FUKNSZOSERGIMZ-CHWSQXEVSA-N 1 1 323.349 -1.213 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194448332 782039235 /nfs/dbraw/zinc/03/92/35/782039235.db2.gz BPQIMZDIETVYTI-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194448332 782039240 /nfs/dbraw/zinc/03/92/40/782039240.db2.gz BPQIMZDIETVYTI-NSHDSACASA-N 1 1 322.369 -1.129 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(CC3CC3)c2=O)[C@@H]2NCN[C@@H]21 ZINC001194604556 782041417 /nfs/dbraw/zinc/04/14/17/782041417.db2.gz OERMHHVXWBCEAR-UPJWGTAASA-N 1 1 318.381 -1.609 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@H+](CCN2C(=O)CCC2=O)CC1 ZINC001194674205 782041974 /nfs/dbraw/zinc/04/19/74/782041974.db2.gz FZMAZQACFGZONO-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC001194674205 782041982 /nfs/dbraw/zinc/04/19/82/782041982.db2.gz FZMAZQACFGZONO-UHFFFAOYSA-N 1 1 324.381 -1.194 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(COC)CC2)C1 ZINC001194681254 782043270 /nfs/dbraw/zinc/04/32/70/782043270.db2.gz JVFSTSAYUBTUBF-IJLUTSLNSA-N 1 1 302.371 -1.418 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194700005 782042405 /nfs/dbraw/zinc/04/24/05/782042405.db2.gz XEHCWEHIYIJBEL-LLVKDONJSA-N 1 1 310.354 -1.538 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001194700005 782042410 /nfs/dbraw/zinc/04/24/10/782042410.db2.gz XEHCWEHIYIJBEL-LLVKDONJSA-N 1 1 310.354 -1.538 20 0 DAADMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001194681902 782042482 /nfs/dbraw/zinc/04/24/82/782042482.db2.gz OJEXHTLBLIZBQO-AWEZNQCLSA-N 1 1 323.397 -1.086 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3cnccn3)cn2)[C@@H]2NCN[C@H]21 ZINC001194733797 782044368 /nfs/dbraw/zinc/04/43/68/782044368.db2.gz MBBNQDRJPXWCNQ-TUAOUCFPSA-N 1 1 315.341 -2.205 20 0 DAADMO O=C(CCc1cncnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001194711187 782044488 /nfs/dbraw/zinc/04/44/88/782044488.db2.gz IWEDJFLCAZAQGH-ZIAGYGMSSA-N 1 1 324.381 -1.421 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cc(F)c[nH]1 ZINC001194789688 782048067 /nfs/dbraw/zinc/04/80/67/782048067.db2.gz PQLAHYQASYKADW-VXGBXAGGSA-N 1 1 301.318 -1.062 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cc(F)c[nH]1 ZINC001194789688 782048077 /nfs/dbraw/zinc/04/80/77/782048077.db2.gz PQLAHYQASYKADW-VXGBXAGGSA-N 1 1 301.318 -1.062 20 0 DAADMO CC1(CC(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001194860404 782049103 /nfs/dbraw/zinc/04/91/03/782049103.db2.gz ORSBGDBFINRTPC-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO CC1(CC(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001194860404 782049112 /nfs/dbraw/zinc/04/91/12/782049112.db2.gz ORSBGDBFINRTPC-GHMZBOCLSA-N 1 1 324.381 -1.110 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC(C)(C)O ZINC000177728482 274204879 /nfs/dbraw/zinc/20/48/79/274204879.db2.gz GSVCKCDQIBHSQE-QMMMGPOBSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CC(C)(C)O ZINC000177728482 274204881 /nfs/dbraw/zinc/20/48/81/274204881.db2.gz GSVCKCDQIBHSQE-QMMMGPOBSA-N 1 1 312.370 -1.060 20 0 DAADMO CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000340621803 277221703 /nfs/dbraw/zinc/22/17/03/277221703.db2.gz QAPQQWPGLBLYIW-UHFFFAOYSA-N 1 1 306.370 -1.149 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001194952229 782050717 /nfs/dbraw/zinc/05/07/17/782050717.db2.gz MZYRZLOOIMGULF-GHMZBOCLSA-N 1 1 313.358 -2.484 20 0 DAADMO CC(C)[N@@H+](C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000338431006 279355837 /nfs/dbraw/zinc/35/58/37/279355837.db2.gz MXIJDFCITDSRPY-UHFFFAOYSA-N 1 1 303.388 -1.013 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976233 782053263 /nfs/dbraw/zinc/05/32/63/782053263.db2.gz WOLFUEKVTVFRGW-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299545456 289333683 /nfs/dbraw/zinc/33/36/83/289333683.db2.gz IEKDANDAMDRIGT-XLKFXECMSA-N 1 1 323.353 -1.011 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000299545456 289333684 /nfs/dbraw/zinc/33/36/84/289333684.db2.gz IEKDANDAMDRIGT-XLKFXECMSA-N 1 1 323.353 -1.011 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O)S(N)(=O)=O ZINC001194976233 782053273 /nfs/dbraw/zinc/05/32/73/782053273.db2.gz WOLFUEKVTVFRGW-MXWKQRLJSA-N 1 1 323.415 -1.749 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194998010 782053852 /nfs/dbraw/zinc/05/38/52/782053852.db2.gz WNOATMABXFNELW-NXEZZACHSA-N 1 1 324.403 -2.762 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194997954 782054576 /nfs/dbraw/zinc/05/45/76/782054576.db2.gz VDMSBOOUHLPLJY-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195247177 782056926 /nfs/dbraw/zinc/05/69/26/782056926.db2.gz SJZANZCNBMJUNI-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195247177 782056935 /nfs/dbraw/zinc/05/69/35/782056935.db2.gz SJZANZCNBMJUNI-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001195221787 782056985 /nfs/dbraw/zinc/05/69/85/782056985.db2.gz GTGPEDJDAMORIC-VXGBXAGGSA-N 1 1 314.386 -2.384 20 0 DAADMO COc1nccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1Cl ZINC001195199055 782057017 /nfs/dbraw/zinc/05/70/17/782057017.db2.gz ZDZHDDOXKBXOQS-UTLUCORTSA-N 1 1 312.761 -1.124 20 0 DAADMO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195161946 782057574 /nfs/dbraw/zinc/05/75/74/782057574.db2.gz CSDZHLBHLONROA-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001195270176 782058883 /nfs/dbraw/zinc/05/88/83/782058883.db2.gz BSNZEWBOIGKBFQ-OUAUKWLOSA-N 1 1 300.359 -1.792 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195270162 782059048 /nfs/dbraw/zinc/05/90/48/782059048.db2.gz BFPXKMDGZFTKFU-QJPTWQEYSA-N 1 1 315.370 -2.053 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195270162 782059058 /nfs/dbraw/zinc/05/90/58/782059058.db2.gz BFPXKMDGZFTKFU-QJPTWQEYSA-N 1 1 315.370 -2.053 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195271546 782058785 /nfs/dbraw/zinc/05/87/85/782058785.db2.gz NDUDOMRCHONTTL-GMTAPVOTSA-N 1 1 301.343 -2.707 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1CCNC1=O ZINC001195271546 782058794 /nfs/dbraw/zinc/05/87/94/782058794.db2.gz NDUDOMRCHONTTL-GMTAPVOTSA-N 1 1 301.343 -2.707 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001195263131 782059815 /nfs/dbraw/zinc/05/98/15/782059815.db2.gz RYXYEPJEXBBJRK-IJLUTSLNSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001195263131 782059826 /nfs/dbraw/zinc/05/98/26/782059826.db2.gz RYXYEPJEXBBJRK-IJLUTSLNSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001195296054 782061259 /nfs/dbraw/zinc/06/12/59/782061259.db2.gz YETMMJXCLPLTBH-OPRDCNLKSA-N 1 1 323.340 -1.059 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001195296054 782061266 /nfs/dbraw/zinc/06/12/66/782061266.db2.gz YETMMJXCLPLTBH-OPRDCNLKSA-N 1 1 323.340 -1.059 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001195295691 782062081 /nfs/dbraw/zinc/06/20/81/782062081.db2.gz XNRGUMXXJOUVGX-RAIGVLPGSA-N 1 1 323.397 -1.365 20 0 DAADMO Cn1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1C(F)F ZINC001195282429 782062287 /nfs/dbraw/zinc/06/22/87/782062287.db2.gz GPKQDTLGIVSQPT-WHFVKQHSSA-N 1 1 301.301 -1.510 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001195277637 782062344 /nfs/dbraw/zinc/06/23/44/782062344.db2.gz IQNXCAUZQUFRCC-GRYCIOLGSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001195296053 782062504 /nfs/dbraw/zinc/06/25/04/782062504.db2.gz YETMMJXCLPLTBH-IVZWLZJFSA-N 1 1 323.340 -1.059 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001195296053 782062510 /nfs/dbraw/zinc/06/25/10/782062510.db2.gz YETMMJXCLPLTBH-IVZWLZJFSA-N 1 1 323.340 -1.059 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299545444 298122430 /nfs/dbraw/zinc/12/24/30/298122430.db2.gz IEKDANDAMDRIGT-CLAHSXSESA-N 1 1 323.353 -1.011 20 0 DAADMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000299545444 298122431 /nfs/dbraw/zinc/12/24/31/298122431.db2.gz IEKDANDAMDRIGT-CLAHSXSESA-N 1 1 323.353 -1.011 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCN1C(=O)CCC1=O ZINC000264575514 303299068 /nfs/dbraw/zinc/29/90/68/303299068.db2.gz SUCVRPHOSLRSIP-NSHDSACASA-N 1 1 324.381 -1.019 20 0 DAADMO CN(CC[N@@H+]1CCCN(C(=O)CC(N)=O)CC1)S(C)(=O)=O ZINC001195363868 782064633 /nfs/dbraw/zinc/06/46/33/782064633.db2.gz GKYVLNRKJBSWOL-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO CN(CC[N@H+]1CCCN(C(=O)CC(N)=O)CC1)S(C)(=O)=O ZINC001195363868 782064643 /nfs/dbraw/zinc/06/46/43/782064643.db2.gz GKYVLNRKJBSWOL-UHFFFAOYSA-N 1 1 320.415 -1.713 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001195413761 782065523 /nfs/dbraw/zinc/06/55/23/782065523.db2.gz YMUKZIGVNDQEEX-WHOHXGKFSA-N 1 1 315.370 -2.224 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)n1 ZINC001195365197 782064128 /nfs/dbraw/zinc/06/41/28/782064128.db2.gz BWQULHCKROFLKN-RKDXNWHRSA-N 1 1 300.319 -3.006 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001195365197 782064139 /nfs/dbraw/zinc/06/41/39/782064139.db2.gz BWQULHCKROFLKN-RKDXNWHRSA-N 1 1 300.319 -3.006 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001195404779 782066878 /nfs/dbraw/zinc/06/68/78/782066878.db2.gz SERHLWZCASQZTP-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC001195515980 782068571 /nfs/dbraw/zinc/06/85/71/782068571.db2.gz VAPGMIXGPGHVKG-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(F)c(CO)c(F)c2)[C@H]2NCN[C@@H]21 ZINC001195638337 782072474 /nfs/dbraw/zinc/07/24/74/782072474.db2.gz ZFLDGDLFGURNRW-IJLUTSLNSA-N 1 1 313.308 -1.410 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001195625947 782072679 /nfs/dbraw/zinc/07/26/79/782072679.db2.gz UBFBEBDJPIJQSB-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001195625947 782072684 /nfs/dbraw/zinc/07/26/84/782072684.db2.gz UBFBEBDJPIJQSB-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001195639821 782073113 /nfs/dbraw/zinc/07/31/13/782073113.db2.gz OJDOJBKFLMOYBT-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CCC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001195639821 782073121 /nfs/dbraw/zinc/07/31/21/782073121.db2.gz OJDOJBKFLMOYBT-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195625505 782073315 /nfs/dbraw/zinc/07/33/15/782073315.db2.gz LVKLOXTZQVSFSY-WDEREUQCSA-N 1 1 302.375 -1.415 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COc2cnn(C)c2)C1 ZINC001195649091 782075356 /nfs/dbraw/zinc/07/53/56/782075356.db2.gz ZSDALIBGYNTBAV-CYZMBNFOSA-N 1 1 312.370 -1.005 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195648841 782075435 /nfs/dbraw/zinc/07/54/35/782075435.db2.gz VGXSANLDOZTTQV-VXGBXAGGSA-N 1 1 310.354 -1.029 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CCC[N@H+](CCOCCO)CC1 ZINC001195681778 782074276 /nfs/dbraw/zinc/07/42/76/782074276.db2.gz IVKKBRNQVHEYRO-LLVKDONJSA-N 1 1 301.343 -1.362 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195647386 782074858 /nfs/dbraw/zinc/07/48/58/782074858.db2.gz JDNPSHSZJUJHQV-VXGBXAGGSA-N 1 1 310.354 -1.030 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195647167 782074944 /nfs/dbraw/zinc/07/49/44/782074944.db2.gz FDUGKCSRGYJSNC-VXGBXAGGSA-N 1 1 310.354 -1.029 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747466 782081076 /nfs/dbraw/zinc/08/10/76/782081076.db2.gz UFARPEAEWHEWCC-GMTAPVOTSA-N 1 1 323.415 -1.749 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001195789931 782082147 /nfs/dbraw/zinc/08/21/47/782082147.db2.gz LAVHTSSNBNSSTD-QJPTWQEYSA-N 1 1 311.382 -1.018 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195783641 782083188 /nfs/dbraw/zinc/08/31/88/782083188.db2.gz PFRSHLQXYFZAKN-QJPTWQEYSA-N 1 1 311.382 -1.160 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001195701701 782077585 /nfs/dbraw/zinc/07/75/85/782077585.db2.gz QHJXOKMUAUPFOV-CHWSQXEVSA-N 1 1 303.403 -1.502 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001195736685 782078071 /nfs/dbraw/zinc/07/80/71/782078071.db2.gz PLSVLIIOTZQKMF-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001195736685 782078077 /nfs/dbraw/zinc/07/80/77/782078077.db2.gz PLSVLIIOTZQKMF-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O ZINC001195717499 782078169 /nfs/dbraw/zinc/07/81/69/782078169.db2.gz HVSPQLILAAHXGL-GHMZBOCLSA-N 1 1 310.358 -1.905 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001195736402 782078185 /nfs/dbraw/zinc/07/81/85/782078185.db2.gz MITMZWIHPXDWCP-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001195736402 782078190 /nfs/dbraw/zinc/07/81/90/782078190.db2.gz MITMZWIHPXDWCP-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccnc2OC(F)F)[C@@H]2NCN[C@@H]21 ZINC001195742988 782078539 /nfs/dbraw/zinc/07/85/39/782078539.db2.gz ULOOIGBLNBCJHA-HLTSFMKQSA-N 1 1 314.296 -1.184 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccnc2OC(F)F)[C@H]2NCN[C@H]21 ZINC001195742987 782078604 /nfs/dbraw/zinc/07/86/04/782078604.db2.gz ULOOIGBLNBCJHA-DJLDLDEBSA-N 1 1 314.296 -1.184 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001195718195 782079281 /nfs/dbraw/zinc/07/92/81/782079281.db2.gz PZGBVECLQWQZHN-GMTAPVOTSA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001195718195 782079293 /nfs/dbraw/zinc/07/92/93/782079293.db2.gz PZGBVECLQWQZHN-GMTAPVOTSA-N 1 1 301.343 -2.171 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001195717342 782079523 /nfs/dbraw/zinc/07/95/23/782079523.db2.gz GRYPNYRQTGQGJX-RAIGVLPGSA-N 1 1 323.349 -1.927 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001195717342 782079532 /nfs/dbraw/zinc/07/95/32/782079532.db2.gz GRYPNYRQTGQGJX-RAIGVLPGSA-N 1 1 323.349 -1.927 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747459 782080638 /nfs/dbraw/zinc/08/06/38/782080638.db2.gz TYBGLVJYXUEDSS-OPRDCNLKSA-N 1 1 309.388 -2.403 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195747467 782080671 /nfs/dbraw/zinc/08/06/71/782080671.db2.gz UFARPEAEWHEWCC-HBNTYKKESA-N 1 1 323.415 -1.749 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001195842656 782084644 /nfs/dbraw/zinc/08/46/44/782084644.db2.gz QRTOEBAPQGJHEH-FXPVBKGRSA-N 1 1 314.342 -2.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001195842658 782084867 /nfs/dbraw/zinc/08/48/67/782084867.db2.gz QRTOEBAPQGJHEH-IQJOONFLSA-N 1 1 314.342 -2.092 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001195854098 782085243 /nfs/dbraw/zinc/08/52/43/782085243.db2.gz VLPIALCKADCJQN-NEPJUHHUSA-N 1 1 316.402 -1.025 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001195859005 782085554 /nfs/dbraw/zinc/08/55/54/782085554.db2.gz AHOUUBVLSBHIOF-YNEHKIRRSA-N 1 1 322.413 -1.122 20 0 DAADMO C[C@@H](CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853890 782085658 /nfs/dbraw/zinc/08/56/58/782085658.db2.gz PSUXUQFXEYKYBE-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001195853890 782085665 /nfs/dbraw/zinc/08/56/65/782085665.db2.gz PSUXUQFXEYKYBE-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066344 782090218 /nfs/dbraw/zinc/09/02/18/782090218.db2.gz JVCGFMYAFVNSBS-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CCCN(C(=O)CNC(=O)NC)CC1 ZINC001196066344 782090225 /nfs/dbraw/zinc/09/02/25/782090225.db2.gz JVCGFMYAFVNSBS-UHFFFAOYSA-N 1 1 313.402 -1.072 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001196067418 782090395 /nfs/dbraw/zinc/09/03/95/782090395.db2.gz XAPPLKZHQNTRQP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001196067418 782090403 /nfs/dbraw/zinc/09/04/03/782090403.db2.gz XAPPLKZHQNTRQP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[N@@H+](CCOCCO)CC1 ZINC001196066755 782090776 /nfs/dbraw/zinc/09/07/76/782090776.db2.gz NSJXUGFKEMGOPG-UHFFFAOYSA-N 1 1 302.375 -1.541 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196028827 782090929 /nfs/dbraw/zinc/09/09/29/782090929.db2.gz BVOJMWSUQLEGOO-IJLUTSLNSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196028827 782090938 /nfs/dbraw/zinc/09/09/38/782090938.db2.gz BVOJMWSUQLEGOO-IJLUTSLNSA-N 1 1 313.358 -1.899 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001196200300 782095170 /nfs/dbraw/zinc/09/51/70/782095170.db2.gz UQKDZJGCDYHDSZ-VXGBXAGGSA-N 1 1 310.354 -1.075 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN(C)CC(=O)N1CCOCC1 ZINC000569550108 332135491 /nfs/dbraw/zinc/13/54/91/332135491.db2.gz SRUSSZSZCCAOOJ-CYBMUJFWSA-N 1 1 303.403 -1.284 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)CCn2cnccc2=O)CC1 ZINC000559795192 332282303 /nfs/dbraw/zinc/28/23/03/332282303.db2.gz FDGKNWAQIDRQST-UHFFFAOYSA-N 1 1 321.381 -1.086 20 0 DAADMO CC(C)CN1CCO[C@H](CNC(=O)CN(C)C[C@H](O)C[NH3+])C1 ZINC000566302762 332327011 /nfs/dbraw/zinc/32/70/11/332327011.db2.gz UIHJXVKXJGRWOO-ZIAGYGMSSA-N 1 1 316.446 -1.289 20 0 DAADMO CCOC(=O)CNC(=O)C1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000566414084 332393747 /nfs/dbraw/zinc/39/37/47/332393747.db2.gz XUHIICZVBICMIH-JTQLQIEISA-N 1 1 311.338 -1.207 20 0 DAADMO CCOC(=O)CCCNC(=O)C[NH2+][C@]1(C(N)=O)CCOC1 ZINC000580208523 333008724 /nfs/dbraw/zinc/00/87/24/333008724.db2.gz FGWMCOUKPSKBPK-CYBMUJFWSA-N 1 1 301.343 -1.320 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)n1 ZINC001152254532 782096040 /nfs/dbraw/zinc/09/60/40/782096040.db2.gz PPMIEDKMXKVAGU-UHFFFAOYSA-N 1 1 320.357 -1.966 20 0 DAADMO CN(C)C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000563647200 333646297 /nfs/dbraw/zinc/64/62/97/333646297.db2.gz GETBIWJYOPZYTO-UHFFFAOYSA-N 1 1 321.328 -1.478 20 0 DAADMO NC(=O)[C@]1(O)CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000276485414 334079547 /nfs/dbraw/zinc/07/95/47/334079547.db2.gz TXXFPDSNIJAROH-ZDUSSCGKSA-N 1 1 313.379 -1.113 20 0 DAADMO NC(=O)[C@]1(O)CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000276485414 334079549 /nfs/dbraw/zinc/07/95/49/334079549.db2.gz TXXFPDSNIJAROH-ZDUSSCGKSA-N 1 1 313.379 -1.113 20 0 DAADMO C[C@@H]([N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)O ZINC000295067244 334216902 /nfs/dbraw/zinc/21/69/02/334216902.db2.gz CHQBDHSGQZMWSX-MRVPVSSYSA-N 1 1 312.370 -1.060 20 0 DAADMO C[C@@H]([N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)O ZINC000295067244 334216903 /nfs/dbraw/zinc/21/69/03/334216903.db2.gz CHQBDHSGQZMWSX-MRVPVSSYSA-N 1 1 312.370 -1.060 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CCC[N@H+](C[C@H](C)O)CC1 ZINC001196324901 782101306 /nfs/dbraw/zinc/10/13/06/782101306.db2.gz CQPZZHWVSZQNBS-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196340154 782101353 /nfs/dbraw/zinc/10/13/53/782101353.db2.gz WUDKYOHDDBVHAG-JHJVBQTASA-N 1 1 324.385 -1.646 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196340154 782101357 /nfs/dbraw/zinc/10/13/57/782101357.db2.gz WUDKYOHDDBVHAG-JHJVBQTASA-N 1 1 324.385 -1.646 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196333045 782101616 /nfs/dbraw/zinc/10/16/16/782101616.db2.gz FZURUQUBUACZSK-CHWSQXEVSA-N 1 1 322.365 -1.645 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001196338408 782102053 /nfs/dbraw/zinc/10/20/53/782102053.db2.gz HWAZMISLZIKTRV-JHJVBQTASA-N 1 1 317.386 -1.929 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001196338408 782102060 /nfs/dbraw/zinc/10/20/60/782102060.db2.gz HWAZMISLZIKTRV-JHJVBQTASA-N 1 1 317.386 -1.929 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001196377032 782102644 /nfs/dbraw/zinc/10/26/44/782102644.db2.gz METUGXQJUQZZSO-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnnc2)C1 ZINC001196377032 782102648 /nfs/dbraw/zinc/10/26/48/782102648.db2.gz METUGXQJUQZZSO-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110480407 782102817 /nfs/dbraw/zinc/10/28/17/782102817.db2.gz GRAMWOSHMGRPOT-ZNSHCXBVSA-N 1 1 322.365 -1.351 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110480407 782102821 /nfs/dbraw/zinc/10/28/21/782102821.db2.gz GRAMWOSHMGRPOT-ZNSHCXBVSA-N 1 1 322.365 -1.351 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001196388127 782103266 /nfs/dbraw/zinc/10/32/66/782103266.db2.gz DAZRIVBNDKIBTI-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490593 782104398 /nfs/dbraw/zinc/10/43/98/782104398.db2.gz SGVBXDWWWQIQNE-NXEZZACHSA-N 1 1 324.403 -2.810 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196422349 782104472 /nfs/dbraw/zinc/10/44/72/782104472.db2.gz ZAPSSWHWQDEACZ-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001196490046 782104640 /nfs/dbraw/zinc/10/46/40/782104640.db2.gz LVJHNJGGGNKJQA-NXEZZACHSA-N 1 1 308.404 -2.046 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001196453703 782104720 /nfs/dbraw/zinc/10/47/20/782104720.db2.gz RQEDHTSFSOVQOB-IVZWLZJFSA-N 1 1 314.342 -2.218 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196549820 782105910 /nfs/dbraw/zinc/10/59/10/782105910.db2.gz CKKPWFLKQKIVTK-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196549820 782105917 /nfs/dbraw/zinc/10/59/17/782105917.db2.gz CKKPWFLKQKIVTK-GHMZBOCLSA-N 1 1 323.415 -2.188 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001196550270 782106276 /nfs/dbraw/zinc/10/62/76/782106276.db2.gz JVEFWNBLGNVTGI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001196550270 782106283 /nfs/dbraw/zinc/10/62/83/782106283.db2.gz JVEFWNBLGNVTGI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(COC1CCOCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196583107 782106360 /nfs/dbraw/zinc/10/63/60/782106360.db2.gz QYTFZDYONJRUMH-CHWSQXEVSA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(COC[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196550763 782106665 /nfs/dbraw/zinc/10/66/65/782106665.db2.gz UWEOLVHCHFSNAS-JHJVBQTASA-N 1 1 302.371 -1.417 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001196567311 782107052 /nfs/dbraw/zinc/10/70/52/782107052.db2.gz BKUJEGMFOJNIQP-CHWSQXEVSA-N 1 1 302.371 -1.010 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114310967 782107768 /nfs/dbraw/zinc/10/77/68/782107768.db2.gz FYJJRTRNMWJPDS-UKKRHICBSA-N 1 1 305.400 -1.647 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)C(N)=O ZINC001196700736 782107819 /nfs/dbraw/zinc/10/78/19/782107819.db2.gz ISTJOFFHJDVVOB-QJPTWQEYSA-N 1 1 312.370 -2.062 20 0 DAADMO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196758543 782108595 /nfs/dbraw/zinc/10/85/95/782108595.db2.gz VVMUMRLLRPCVSO-GHMZBOCLSA-N 1 1 319.427 -1.115 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001196683187 782108673 /nfs/dbraw/zinc/10/86/73/782108673.db2.gz IYMJIDGQXPLRBT-HBNTYKKESA-N 1 1 316.358 -2.826 20 0 DAADMO C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207584 782096847 /nfs/dbraw/zinc/09/68/47/782096847.db2.gz RBXPGOKFOQRFLU-IJLUTSLNSA-N 1 1 314.430 -1.001 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001196733151 782109904 /nfs/dbraw/zinc/10/99/04/782109904.db2.gz YUZIQYVWHZOCIV-VXGBXAGGSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001196765078 782109927 /nfs/dbraw/zinc/10/99/27/782109927.db2.gz PCYLGKVTIMYZCK-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001196765078 782109934 /nfs/dbraw/zinc/10/99/34/782109934.db2.gz PCYLGKVTIMYZCK-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196739567 782110110 /nfs/dbraw/zinc/11/01/10/782110110.db2.gz PVCIHVOMVBTFQB-QJPTWQEYSA-N 1 1 301.387 -1.213 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001196733137 782110472 /nfs/dbraw/zinc/11/04/72/782110472.db2.gz YUZIQYVWHZOCIV-NEPJUHHUSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001196740291 782110542 /nfs/dbraw/zinc/11/05/42/782110542.db2.gz YTKTYIQXLCIEIH-CHWSQXEVSA-N 1 1 323.397 -1.398 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000582802951 337175969 /nfs/dbraw/zinc/17/59/69/337175969.db2.gz OXKUJVAZPXINBX-UHFFFAOYSA-N 1 1 324.447 -1.191 20 0 DAADMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424178174 337799219 /nfs/dbraw/zinc/79/92/19/337799219.db2.gz WCSDWEQKBAXNHH-QWRGUYRKSA-N 1 1 305.400 -1.097 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001196733149 782110789 /nfs/dbraw/zinc/11/07/89/782110789.db2.gz YUZIQYVWHZOCIV-RYUDHWBXSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001196738968 782111099 /nfs/dbraw/zinc/11/10/99/782111099.db2.gz GUPQVWJLVLAPMM-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001196738968 782111103 /nfs/dbraw/zinc/11/11/03/782111103.db2.gz GUPQVWJLVLAPMM-NXEZZACHSA-N 1 1 323.340 -1.092 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000528372337 340707365 /nfs/dbraw/zinc/70/73/65/340707365.db2.gz DSLQAOVWUWZAKB-UHFFFAOYSA-N 1 1 318.341 -1.451 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1)S(N)(=O)=O ZINC000542876355 341024723 /nfs/dbraw/zinc/02/47/23/341024723.db2.gz BLUAQIFDKLYKEV-ZJUUUORDSA-N 1 1 320.415 -1.762 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@H]2CCNC2=O)COC1)[C@@H]1CCNC1=O ZINC000542980803 341027624 /nfs/dbraw/zinc/02/76/24/341027624.db2.gz MKPNBPVVQRHGBO-TXEJJXNPSA-N 1 1 310.398 -1.356 20 0 DAADMO CN(CC1(C[N@@H+](C)[C@@H]2CCNC2=O)COC1)[C@H]1CCNC1=O ZINC000542980803 341027626 /nfs/dbraw/zinc/02/76/26/341027626.db2.gz MKPNBPVVQRHGBO-TXEJJXNPSA-N 1 1 310.398 -1.356 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000543847230 341061463 /nfs/dbraw/zinc/06/14/63/341061463.db2.gz XAFFHNDZGXZRQA-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000543847230 341061464 /nfs/dbraw/zinc/06/14/64/341061464.db2.gz XAFFHNDZGXZRQA-AGIUHOORSA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CCO1 ZINC000543847232 341061492 /nfs/dbraw/zinc/06/14/92/341061492.db2.gz XAFFHNDZGXZRQA-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CCO1 ZINC000543847232 341061493 /nfs/dbraw/zinc/06/14/93/341061493.db2.gz XAFFHNDZGXZRQA-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000131288214 341073579 /nfs/dbraw/zinc/07/35/79/341073579.db2.gz OQRJLZRZLBPHGH-GFCCVEGCSA-N 1 1 300.403 -1.157 20 0 DAADMO CC(C)[C@H](CNC(=O)NC(CO)CO)N1CC[NH+](C)CC1 ZINC000073596173 341118663 /nfs/dbraw/zinc/11/86/63/341118663.db2.gz OJSFPFLJDOTJQD-ZDUSSCGKSA-N 1 1 302.419 -1.089 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1=O ZINC000547735375 341229427 /nfs/dbraw/zinc/22/94/27/341229427.db2.gz DYHRLZWDHRKBCK-UHFFFAOYSA-N 1 1 318.337 -1.381 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548058792 341245091 /nfs/dbraw/zinc/24/50/91/341245091.db2.gz ZQUIXLZXFBHOLV-UHFFFAOYSA-N 1 1 301.372 -1.002 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390974 341258464 /nfs/dbraw/zinc/25/84/64/341258464.db2.gz NHHWDRWACFWZBS-SECBINFHSA-N 1 1 301.372 -1.004 20 0 DAADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC(CO)CO)CC1 ZINC000080450019 341273667 /nfs/dbraw/zinc/27/36/67/341273667.db2.gz ANHTWSCGPXNPNW-LBPRGKRZSA-N 1 1 302.419 -1.088 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000549720087 341301289 /nfs/dbraw/zinc/30/12/89/341301289.db2.gz IZMGOMBNZQFKSW-LLVKDONJSA-N 1 1 320.415 -1.638 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000549720087 341301290 /nfs/dbraw/zinc/30/12/90/341301290.db2.gz IZMGOMBNZQFKSW-LLVKDONJSA-N 1 1 320.415 -1.638 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000549720093 341301361 /nfs/dbraw/zinc/30/13/61/341301361.db2.gz IZMGOMBNZQFKSW-NSHDSACASA-N 1 1 320.415 -1.638 20 0 DAADMO CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000549720093 341301362 /nfs/dbraw/zinc/30/13/62/341301362.db2.gz IZMGOMBNZQFKSW-NSHDSACASA-N 1 1 320.415 -1.638 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000552138634 341372697 /nfs/dbraw/zinc/37/26/97/341372697.db2.gz KVWNOPITZCKVNM-CLLJXQQHSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000552138634 341372698 /nfs/dbraw/zinc/37/26/98/341372698.db2.gz KVWNOPITZCKVNM-CLLJXQQHSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000552138634 341372699 /nfs/dbraw/zinc/37/26/99/341372699.db2.gz KVWNOPITZCKVNM-CLLJXQQHSA-N 1 1 312.414 -1.328 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)CN2CC(=O)NC2=O)CC1 ZINC000552309947 341385492 /nfs/dbraw/zinc/38/54/92/341385492.db2.gz BKBLQZWCCKIARE-UHFFFAOYSA-N 1 1 311.342 -2.182 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249561999 341399310 /nfs/dbraw/zinc/39/93/10/341399310.db2.gz LVGLVXWFAMAFQC-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO CCCNC(=O)CN(C)C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249561999 341399311 /nfs/dbraw/zinc/39/93/11/341399311.db2.gz LVGLVXWFAMAFQC-ZDUSSCGKSA-N 1 1 314.430 -1.031 20 0 DAADMO C[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)NCC[NH+](C)C ZINC000565209887 341520127 /nfs/dbraw/zinc/52/01/27/341520127.db2.gz XKFPCNGSRDYYLP-VIFPVBQESA-N 1 1 305.400 -1.254 20 0 DAADMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CCNCC1=O ZINC000567917066 341640523 /nfs/dbraw/zinc/64/05/23/341640523.db2.gz UHBHLQZQVUYUKW-LLVKDONJSA-N 1 1 306.370 -1.675 20 0 DAADMO CN(CC(=O)N1CCNCC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000574751938 341767842 /nfs/dbraw/zinc/76/78/42/341767842.db2.gz HAUIWQSFVNCTOG-NSHDSACASA-N 1 1 300.428 -1.028 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001196919330 782113943 /nfs/dbraw/zinc/11/39/43/782113943.db2.gz KUUSSCSFYCRSPN-GHMZBOCLSA-N 1 1 322.369 -2.034 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001196919330 782113951 /nfs/dbraw/zinc/11/39/51/782113951.db2.gz KUUSSCSFYCRSPN-GHMZBOCLSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(CNC(=O)CC1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196925768 782114654 /nfs/dbraw/zinc/11/46/54/782114654.db2.gz OMKFABYIDGMSPC-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCOCC1 ZINC001196931665 782114876 /nfs/dbraw/zinc/11/48/76/782114876.db2.gz ADYMJVNHRRFETL-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CCOCC1 ZINC001196931665 782114881 /nfs/dbraw/zinc/11/48/81/782114881.db2.gz ADYMJVNHRRFETL-CHWSQXEVSA-N 1 1 316.398 -1.027 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114311486 782114963 /nfs/dbraw/zinc/11/49/63/782114963.db2.gz NZOXBUDTRAGIAV-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114311486 782114968 /nfs/dbraw/zinc/11/49/68/782114968.db2.gz NZOXBUDTRAGIAV-WYOJIJJFSA-N 1 1 318.399 -2.154 20 0 DAADMO O=C(CCNC(=O)C1CCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001196868796 782115139 /nfs/dbraw/zinc/11/51/39/782115139.db2.gz YIRJWGXWOVPFIZ-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001196935016 782115156 /nfs/dbraw/zinc/11/51/56/782115156.db2.gz MZZBPEPZVMURTJ-LLVKDONJSA-N 1 1 310.354 -1.075 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCC[N@H+](CCOCCO)CC1 ZINC001196935276 782116310 /nfs/dbraw/zinc/11/63/10/782116310.db2.gz NTWHPQXFUGATDW-UHFFFAOYSA-N 1 1 310.354 -1.073 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](CCOCCO)CC1 ZINC001196963247 782118138 /nfs/dbraw/zinc/11/81/38/782118138.db2.gz PFYISKSGGUHDJM-NSHDSACASA-N 1 1 300.359 -1.789 20 0 DAADMO COCCOCC[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001196962407 782118202 /nfs/dbraw/zinc/11/82/02/782118202.db2.gz FWLUFJBNDKWIJA-GFCCVEGCSA-N 1 1 314.386 -1.135 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196946201 782117464 /nfs/dbraw/zinc/11/74/64/782117464.db2.gz KBOMLZFNFWYGNH-CHWSQXEVSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196946201 782117468 /nfs/dbraw/zinc/11/74/68/782117468.db2.gz KBOMLZFNFWYGNH-CHWSQXEVSA-N 1 1 323.397 -1.041 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001196963443 782120026 /nfs/dbraw/zinc/12/00/26/782120026.db2.gz RPFIQVFWPKCKOJ-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001196963440 782120171 /nfs/dbraw/zinc/12/01/71/782120171.db2.gz RPFIQVFWPKCKOJ-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO O=C(NCC[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1)C1CC1 ZINC001196963604 782120194 /nfs/dbraw/zinc/12/01/94/782120194.db2.gz XRFFENXHDXFHPF-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NCC[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1)C1CC1 ZINC001196963604 782120200 /nfs/dbraw/zinc/12/02/00/782120200.db2.gz XRFFENXHDXFHPF-LBPRGKRZSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CCCS(N)(=O)=O)CC1 ZINC001196993762 782120751 /nfs/dbraw/zinc/12/07/51/782120751.db2.gz RRJNBCLOYKGLEY-LLVKDONJSA-N 1 1 307.416 -1.030 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001197010476 782119968 /nfs/dbraw/zinc/11/99/68/782119968.db2.gz TUMSMNYAWXTYTJ-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO NS(=O)(=O)CCCC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC001196993949 782120991 /nfs/dbraw/zinc/12/09/91/782120991.db2.gz XZOYZYQVDNNMNZ-UHFFFAOYSA-N 1 1 307.416 -1.028 20 0 DAADMO CCN(CC[NH2+]Cc1nonc1C)C(=O)CN1C(=O)CNC1=O ZINC001273737047 782123607 /nfs/dbraw/zinc/12/36/07/782123607.db2.gz CVTXVMBOOYRHNT-UHFFFAOYSA-N 1 1 324.341 -1.132 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001197033995 782122898 /nfs/dbraw/zinc/12/28/98/782122898.db2.gz ARRMEUCDYBATDM-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001197033995 782122904 /nfs/dbraw/zinc/12/29/04/782122904.db2.gz ARRMEUCDYBATDM-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncccn2)C1 ZINC001197099508 782124275 /nfs/dbraw/zinc/12/42/75/782124275.db2.gz YEQLLWVMLKEZAH-JHJVBQTASA-N 1 1 324.381 -1.422 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197160882 782125346 /nfs/dbraw/zinc/12/53/46/782125346.db2.gz IDNCXSSOOZYVGW-HBNTYKKESA-N 1 1 314.346 -2.768 20 0 DAADMO O=C(CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)NC1CCCC1 ZINC001197156193 782125742 /nfs/dbraw/zinc/12/57/42/782125742.db2.gz RUUPVTVVDSOVLE-CHWSQXEVSA-N 1 1 313.398 -1.021 20 0 DAADMO CN(C)C(=O)OCC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001197124494 782125774 /nfs/dbraw/zinc/12/57/74/782125774.db2.gz DEJDCLMLHKKRHP-UHFFFAOYSA-N 1 1 307.372 -1.293 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001197160772 782125912 /nfs/dbraw/zinc/12/59/12/782125912.db2.gz GBYGNGHMJIHHDE-YNEHKIRRSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001197171076 782126945 /nfs/dbraw/zinc/12/69/45/782126945.db2.gz DPCCLSWHOARLHA-YNEHKIRRSA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197172287 782127007 /nfs/dbraw/zinc/12/70/07/782127007.db2.gz OOJIDRCEBLEOMP-GHMZBOCLSA-N 1 1 314.346 -2.767 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1)OC ZINC001197171513 782127659 /nfs/dbraw/zinc/12/76/59/782127659.db2.gz JBPIDADBZBEPKN-QJPTWQEYSA-N 1 1 312.374 -1.351 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001197171055 782127862 /nfs/dbraw/zinc/12/78/62/782127862.db2.gz DGJNCQBQGPKNTH-CHWSQXEVSA-N 1 1 324.385 -1.206 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001197278105 782129348 /nfs/dbraw/zinc/12/93/48/782129348.db2.gz NKRIYGSYRNQQBQ-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001197296002 782129408 /nfs/dbraw/zinc/12/94/08/782129408.db2.gz FUYPTXHDPZVQKS-RAIGVLPGSA-N 1 1 313.398 -1.165 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=S)NCC(=O)OC)CC1 ZINC001197215938 782129600 /nfs/dbraw/zinc/12/96/00/782129600.db2.gz MUAJUTCYRWGJBL-UHFFFAOYSA-N 1 1 302.400 -1.166 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197333641 782130411 /nfs/dbraw/zinc/13/04/11/782130411.db2.gz FAYMCXQBXWEQPG-VXGBXAGGSA-N 1 1 310.354 -1.823 20 0 DAADMO Cn1cnnc1COCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001197356898 782130441 /nfs/dbraw/zinc/13/04/41/782130441.db2.gz FVKLLLDRWPIVSK-GHMZBOCLSA-N 1 1 315.349 -1.147 20 0 DAADMO COCC[N@H+]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001197353695 782130829 /nfs/dbraw/zinc/13/08/29/782130829.db2.gz GASDNLHPONZPIQ-LBPRGKRZSA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001197365525 782131405 /nfs/dbraw/zinc/13/14/05/782131405.db2.gz DABXVUZRESUURC-HBNTYKKESA-N 1 1 313.358 -2.126 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 ZINC001197334486 782131567 /nfs/dbraw/zinc/13/15/67/782131567.db2.gz UXHIOTGIEZUAFS-YNEHKIRRSA-N 1 1 324.381 -1.170 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197387428 782132245 /nfs/dbraw/zinc/13/22/45/782132245.db2.gz DEWYXBVVGOJYHV-HBNTYKKESA-N 1 1 323.415 -2.190 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001197387438 782132410 /nfs/dbraw/zinc/13/24/10/782132410.db2.gz DLNBXFRXYFVFIW-GHMZBOCLSA-N 1 1 307.416 -1.162 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 ZINC001197374825 782132729 /nfs/dbraw/zinc/13/27/29/782132729.db2.gz PNKTXMNEXQBAIL-MVWJERBFSA-N 1 1 314.342 -1.911 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001197528763 782134240 /nfs/dbraw/zinc/13/42/40/782134240.db2.gz SLSGRBZFKMMOIG-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1O ZINC001197528073 782134651 /nfs/dbraw/zinc/13/46/51/782134651.db2.gz GRLCKKXMFOSASX-CHWSQXEVSA-N 1 1 312.414 -1.232 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3cccnc3)c2)[C@@H]2NCN[C@H]21 ZINC001197585756 782135697 /nfs/dbraw/zinc/13/56/97/782135697.db2.gz MBAKSJVVERQCAT-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO O=C(NC(CO)(CO)CO)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197617564 782136735 /nfs/dbraw/zinc/13/67/35/782136735.db2.gz BTFZGQJQKTZJMG-CQSZACIVSA-N 1 1 324.377 -1.301 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(CC(F)(F)F)c2)[C@@H]2NCN[C@H]21 ZINC001197568794 782136838 /nfs/dbraw/zinc/13/68/38/782136838.db2.gz GCMPQBWCLRSZTN-YIZRAAEISA-N 1 1 319.291 -1.422 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC001197640436 782137002 /nfs/dbraw/zinc/13/70/02/782137002.db2.gz VHVBWVFKYKKJTO-UHFFFAOYSA-N 1 1 307.416 -1.206 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197589109 782137280 /nfs/dbraw/zinc/13/72/80/782137280.db2.gz SKGATWSGPSQHQL-YNEHKIRRSA-N 1 1 304.387 -1.028 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCCC1=O ZINC001197768182 782139790 /nfs/dbraw/zinc/13/97/90/782139790.db2.gz AEDUBMMDWZBMSO-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(CC3CC3)c2)[C@H]2NCN[C@@H]21 ZINC001197781034 782139876 /nfs/dbraw/zinc/13/98/76/782139876.db2.gz LRDZCQDZCLQVIE-IJLUTSLNSA-N 1 1 319.369 -2.214 20 0 DAADMO COCCOc1cccnc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001197697433 782138796 /nfs/dbraw/zinc/13/87/96/782138796.db2.gz TXJWGTBGHCMNAN-AVGNSLFASA-N 1 1 322.369 -1.761 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C1 ZINC001197812295 782140099 /nfs/dbraw/zinc/14/00/99/782140099.db2.gz LENSHNSALKTJTD-MXWKQRLJSA-N 1 1 316.402 -1.123 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(=O)n(CC3CC3)c2)[C@@H]2NCN[C@@H]21 ZINC001197781037 782140333 /nfs/dbraw/zinc/14/03/33/782140333.db2.gz LRDZCQDZCLQVIE-UTUOFQBUSA-N 1 1 319.369 -2.214 20 0 DAADMO COCCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cnc1=O ZINC001197715273 782140725 /nfs/dbraw/zinc/14/07/25/782140725.db2.gz TXXKJRBOJKJKRK-OUAUKWLOSA-N 1 1 323.357 -2.978 20 0 DAADMO CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197812250 782140771 /nfs/dbraw/zinc/14/07/71/782140771.db2.gz JTMSNVNODPAAAU-MXWKQRLJSA-N 1 1 316.402 -1.387 20 0 DAADMO NC(=O)c1ccccc1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197804784 782143024 /nfs/dbraw/zinc/14/30/24/782143024.db2.gz IIKILIKEPUDWLC-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947993 782143486 /nfs/dbraw/zinc/14/34/86/782143486.db2.gz BQGYCJMPYHSOGN-MGPQQGTHSA-N 1 1 317.430 -1.113 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn(-c3ncccn3)c2)[C@H]2NCN[C@H]21 ZINC001197842097 782141992 /nfs/dbraw/zinc/14/19/92/782141992.db2.gz FLZSAMXULKZNCU-HBNTYKKESA-N 1 1 315.341 -2.205 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926846 782145083 /nfs/dbraw/zinc/14/50/83/782145083.db2.gz ZKTQFHOLKUOOSZ-IVZWLZJFSA-N 1 1 321.324 -1.292 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001197926846 782145085 /nfs/dbraw/zinc/14/50/85/782145085.db2.gz ZKTQFHOLKUOOSZ-IVZWLZJFSA-N 1 1 321.324 -1.292 20 0 DAADMO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001197948090 782144251 /nfs/dbraw/zinc/14/42/51/782144251.db2.gz FNMLZRIEUXRPBL-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)N(C)C)C1 ZINC001197903641 782145220 /nfs/dbraw/zinc/14/52/20/782145220.db2.gz PFPVVPLVGWUBKE-IJLUTSLNSA-N 1 1 301.387 -1.213 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1O ZINC001198028884 782146008 /nfs/dbraw/zinc/14/60/08/782146008.db2.gz LAXMLLOUIGQOKJ-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001197983081 782146139 /nfs/dbraw/zinc/14/61/39/782146139.db2.gz BVDMGYGRAXTMKG-CHWSQXEVSA-N 1 1 324.381 -1.250 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1O ZINC001198046817 782146690 /nfs/dbraw/zinc/14/66/90/782146690.db2.gz FTMNRPQTRPUYMR-IJLUTSLNSA-N 1 1 300.403 -1.376 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC001198001780 782145368 /nfs/dbraw/zinc/14/53/68/782145368.db2.gz GECCSKAXXYKUCX-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccnc2OCC2CC2)[C@H]2NCN[C@@H]21 ZINC001198024729 782147845 /nfs/dbraw/zinc/14/78/45/782147845.db2.gz SPHWPKXHXLMRID-YUSALJHKSA-N 1 1 319.369 -1.602 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NCC)C[C@H]1O ZINC001198020538 782147057 /nfs/dbraw/zinc/14/70/57/782147057.db2.gz PGGZHEDWTKSTDK-VXGBXAGGSA-N 1 1 300.403 -1.374 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1O ZINC001198047445 782147124 /nfs/dbraw/zinc/14/71/24/782147124.db2.gz NFJZLNYDJZPHME-GRYCIOLGSA-N 1 1 300.403 -1.247 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001198020396 782147208 /nfs/dbraw/zinc/14/72/08/782147208.db2.gz MCYFQUDWLWSFNK-CHWSQXEVSA-N 1 1 310.402 -1.182 20 0 DAADMO O=C(CNC(=O)c1ccccc1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198075428 782147421 /nfs/dbraw/zinc/14/74/21/782147421.db2.gz JABPLDOPMOYQTH-ZIAGYGMSSA-N 1 1 321.377 -1.040 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001198029709 782147537 /nfs/dbraw/zinc/14/75/37/782147537.db2.gz WCWPGWFVLWHETJ-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1O ZINC001198029709 782147541 /nfs/dbraw/zinc/14/75/41/782147541.db2.gz WCWPGWFVLWHETJ-JHJVBQTASA-N 1 1 303.403 -1.503 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198065439 782149291 /nfs/dbraw/zinc/14/92/91/782149291.db2.gz UDLSWSXWDVWORB-LLVKDONJSA-N 1 1 302.375 -1.414 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)no1 ZINC001152410138 782149420 /nfs/dbraw/zinc/14/94/20/782149420.db2.gz VLBHDZKMUJAKPJ-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO C[NH+]1CCN(c2cnccc2C(=O)NC(CO)(CO)CO)CC1 ZINC001198153689 782149612 /nfs/dbraw/zinc/14/96/12/782149612.db2.gz RZNQTAFOEXAMLR-UHFFFAOYSA-N 1 1 324.381 -1.721 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CCC[N@H+](CCO)CC1 ZINC001198065260 782149944 /nfs/dbraw/zinc/14/99/44/782149944.db2.gz PEDCWOAPYOLYGG-UHFFFAOYSA-N 1 1 312.370 -1.155 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198233910 782150799 /nfs/dbraw/zinc/15/07/99/782150799.db2.gz QFBKHRHHZHMMNZ-VXGBXAGGSA-N 1 1 312.370 -1.244 20 0 DAADMO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198233910 782150802 /nfs/dbraw/zinc/15/08/02/782150802.db2.gz QFBKHRHHZHMMNZ-VXGBXAGGSA-N 1 1 312.370 -1.244 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2ccccn2)[C@H]2NCN[C@H]21 ZINC001198200910 782151051 /nfs/dbraw/zinc/15/10/51/782151051.db2.gz SUKVYRQWYITTGE-YNEHKIRRSA-N 1 1 314.353 -1.600 20 0 DAADMO C[C@@H](OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1nccn1C ZINC001198233306 782151406 /nfs/dbraw/zinc/15/14/06/782151406.db2.gz GWLSZSSCZKFGIH-IJLUTSLNSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H](OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nccn1C ZINC001198233306 782151410 /nfs/dbraw/zinc/15/14/10/782151410.db2.gz GWLSZSSCZKFGIH-IJLUTSLNSA-N 1 1 312.370 -1.349 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268876 782151567 /nfs/dbraw/zinc/15/15/67/782151567.db2.gz MIZISDQGJZTKDO-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198268876 782151571 /nfs/dbraw/zinc/15/15/71/782151571.db2.gz MIZISDQGJZTKDO-HBNTYKKESA-N 1 1 323.415 -1.926 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001198143121 782152059 /nfs/dbraw/zinc/15/20/59/782152059.db2.gz QBHPTPCAYPMCSG-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198256134 782153708 /nfs/dbraw/zinc/15/37/08/782153708.db2.gz WHKJBXFXMQTICM-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198254763 782153860 /nfs/dbraw/zinc/15/38/60/782153860.db2.gz ATNSXUPDHFCSCF-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001198254763 782153864 /nfs/dbraw/zinc/15/38/64/782153864.db2.gz ATNSXUPDHFCSCF-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1COC(=O)N1 ZINC001110506112 782154417 /nfs/dbraw/zinc/15/44/17/782154417.db2.gz HCODRNXPMDCEDS-KKOKHZNYSA-N 1 1 313.354 -1.175 20 0 DAADMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)C1=O ZINC001198326497 782153195 /nfs/dbraw/zinc/15/31/95/782153195.db2.gz GKMUKOIVFZFSDI-RKDXNWHRSA-N 1 1 304.372 -1.463 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490008 782155557 /nfs/dbraw/zinc/15/55/57/782155557.db2.gz QAMPFIGUKLYTMJ-VXGBXAGGSA-N 1 1 316.402 -1.121 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198489234 782155675 /nfs/dbraw/zinc/15/56/75/782155675.db2.gz BSELOTCKNIJKJD-VXGBXAGGSA-N 1 1 324.385 -1.818 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001198466627 782156536 /nfs/dbraw/zinc/15/65/36/782156536.db2.gz SYDLHKBUCMPXSY-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001198466627 782156543 /nfs/dbraw/zinc/15/65/43/782156543.db2.gz SYDLHKBUCMPXSY-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198489859 782156765 /nfs/dbraw/zinc/15/67/65/782156765.db2.gz ORAONYOKABRNOM-HBNTYKKESA-N 1 1 300.359 -1.757 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198507123 782158469 /nfs/dbraw/zinc/15/84/69/782158469.db2.gz IGNIKFALOZQJHM-DJLDLDEBSA-N 1 1 300.315 -2.872 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)no1 ZINC001198613817 782158007 /nfs/dbraw/zinc/15/80/07/782158007.db2.gz HRLIUFCKZHAVCZ-NXEZZACHSA-N 1 1 312.326 -1.535 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)no1 ZINC001198613817 782158012 /nfs/dbraw/zinc/15/80/12/782158012.db2.gz HRLIUFCKZHAVCZ-NXEZZACHSA-N 1 1 312.326 -1.535 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001198649931 782159556 /nfs/dbraw/zinc/15/95/56/782159556.db2.gz ZBVQDOZAXNTJLC-SDDRHHMPSA-N 1 1 319.354 -1.096 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2O)C1 ZINC001198653749 782160139 /nfs/dbraw/zinc/16/01/39/782160139.db2.gz NCYUTHYLOGKGIK-OPRDCNLKSA-N 1 1 313.358 -2.706 20 0 DAADMO COCCn1c(=O)cccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001198702872 782160182 /nfs/dbraw/zinc/16/01/82/782160182.db2.gz RXFOAMLPZFBOIA-FRRDWIJNSA-N 1 1 322.369 -2.373 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001198671684 782160298 /nfs/dbraw/zinc/16/02/98/782160298.db2.gz IWFFPFHNKVYUOI-YNEHKIRRSA-N 1 1 301.387 -1.749 20 0 DAADMO CC(=O)NCCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000164378674 534386359 /nfs/dbraw/zinc/38/63/59/534386359.db2.gz PCLDOQQCVCLQNL-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC(C)[N@@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(N)=O ZINC000180720289 519651524 /nfs/dbraw/zinc/65/15/24/519651524.db2.gz XYJJODLLYWNORZ-UHFFFAOYSA-N 1 1 322.369 -1.371 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001198705906 782162171 /nfs/dbraw/zinc/16/21/71/782162171.db2.gz ASKFZLCIOLZIRX-HBNTYKKESA-N 1 1 321.399 -2.124 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)NC)C1)OC ZINC001198721777 782162388 /nfs/dbraw/zinc/16/23/88/782162388.db2.gz BVXGQABFOOPLJB-HBNTYKKESA-N 1 1 323.415 -1.878 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198706037 782162466 /nfs/dbraw/zinc/16/24/66/782162466.db2.gz DMGONDWHTIYNHI-ZIAGYGMSSA-N 1 1 324.381 -1.177 20 0 DAADMO CCc1ncncc1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198706037 782162475 /nfs/dbraw/zinc/16/24/75/782162475.db2.gz DMGONDWHTIYNHI-ZIAGYGMSSA-N 1 1 324.381 -1.177 20 0 DAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCOCC2)CC1 ZINC000339318892 521758507 /nfs/dbraw/zinc/75/85/07/521758507.db2.gz RYELELYQLRROCM-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@@H](O)CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000338454019 522409578 /nfs/dbraw/zinc/40/95/78/522409578.db2.gz CTFZPKPUTGXRAH-NEPJUHHUSA-N 1 1 316.402 -1.120 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001198761141 782162877 /nfs/dbraw/zinc/16/28/77/782162877.db2.gz DFJYFXYMGUREQJ-GHMZBOCLSA-N 1 1 307.416 -1.257 20 0 DAADMO C[N@@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336850175 522746003 /nfs/dbraw/zinc/74/60/03/522746003.db2.gz VXACGWDHUNVIKS-SNVBAGLBSA-N 1 1 318.399 -1.106 20 0 DAADMO CN(CCOCCO)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339488457 522893589 /nfs/dbraw/zinc/89/35/89/522893589.db2.gz OYQMZCGVMKKDIH-UHFFFAOYSA-N 1 1 317.386 -1.708 20 0 DAADMO COC(=O)CN(CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338271974 523157396 /nfs/dbraw/zinc/15/73/96/523157396.db2.gz CCBAGQAAEDEHCE-UHFFFAOYSA-N 1 1 315.370 -1.202 20 0 DAADMO COC(=O)COCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000354511602 523213346 /nfs/dbraw/zinc/21/33/46/523213346.db2.gz PKKYAAQTVASVKX-ZDUSSCGKSA-N 1 1 304.343 -1.625 20 0 DAADMO COCC[N@@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000117292703 523842265 /nfs/dbraw/zinc/84/22/65/523842265.db2.gz NPCSTTFICGBSFK-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO COCC[N@H+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C ZINC000117292703 523842269 /nfs/dbraw/zinc/84/22/69/523842269.db2.gz NPCSTTFICGBSFK-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000264867592 523862336 /nfs/dbraw/zinc/86/23/36/523862336.db2.gz GGWHXYUZUGESAB-SECBINFHSA-N 1 1 312.326 -1.756 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCSCC1 ZINC000339302327 523888960 /nfs/dbraw/zinc/88/89/60/523888960.db2.gz LLEQLYKKMIUWOT-LLVKDONJSA-N 1 1 300.428 -1.076 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(C3CCC3)c(=O)c2)[C@H]2NCN[C@H]21 ZINC001198763310 782163187 /nfs/dbraw/zinc/16/31/87/782163187.db2.gz BNKKZPBSIOWUGQ-BFHYXJOUSA-N 1 1 318.381 -1.294 20 0 DAADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000157388249 523987512 /nfs/dbraw/zinc/98/75/12/523987512.db2.gz ZYPDEVFUJLWBAX-ZDUSSCGKSA-N 1 1 312.414 -1.467 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccc(=O)n2CC2CC2)[C@H]2NCN[C@@H]21 ZINC001198803565 782163228 /nfs/dbraw/zinc/16/32/28/782163228.db2.gz MMEZKGNLMQVAPF-MGPQQGTHSA-N 1 1 318.381 -1.609 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000248889051 524287263 /nfs/dbraw/zinc/28/72/63/524287263.db2.gz FLCJWLLINFYXFI-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1CO ZINC000248889051 524287273 /nfs/dbraw/zinc/28/72/73/524287273.db2.gz FLCJWLLINFYXFI-IUCAKERBSA-N 1 1 310.354 -1.448 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccn(C3CCC3)c(=O)c2)[C@H]2NCN[C@@H]21 ZINC001198763315 782163328 /nfs/dbraw/zinc/16/33/28/782163328.db2.gz BNKKZPBSIOWUGQ-MGPQQGTHSA-N 1 1 318.381 -1.294 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000339490923 524449794 /nfs/dbraw/zinc/44/97/94/524449794.db2.gz RYCPESWMAJPDLF-QWHCGFSZSA-N 1 1 313.398 -1.088 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1CO ZINC000190922303 524934328 /nfs/dbraw/zinc/93/43/28/524934328.db2.gz VOYLJMZSFIPLSD-BDAKNGLRSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@H]1CO ZINC000190922303 524934339 /nfs/dbraw/zinc/93/43/39/524934339.db2.gz VOYLJMZSFIPLSD-BDAKNGLRSA-N 1 1 310.354 -1.591 20 0 DAADMO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000339496633 524967225 /nfs/dbraw/zinc/96/72/25/524967225.db2.gz RAFOPLAGLCASIA-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198810075 782163611 /nfs/dbraw/zinc/16/36/11/782163611.db2.gz MOXBENRJNPJFJT-YNEHKIRRSA-N 1 1 304.387 -1.171 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001198810075 782163618 /nfs/dbraw/zinc/16/36/18/782163618.db2.gz MOXBENRJNPJFJT-YNEHKIRRSA-N 1 1 304.387 -1.171 20 0 DAADMO C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)N(C)C ZINC000337324896 525195980 /nfs/dbraw/zinc/19/59/80/525195980.db2.gz UUHVONRNIJMDKL-LLVKDONJSA-N 1 1 313.402 -1.074 20 0 DAADMO CC(C)(C)CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198793417 782163841 /nfs/dbraw/zinc/16/38/41/782163841.db2.gz UPFGRNMJUYWZKE-GHMZBOCLSA-N 1 1 301.387 -1.308 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000189728543 525757308 /nfs/dbraw/zinc/75/73/08/525757308.db2.gz NMOCEVMEELQDIU-NSHDSACASA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000191232507 525795057 /nfs/dbraw/zinc/79/50/57/525795057.db2.gz OETBAUVCZVIACO-VXGBXAGGSA-N 1 1 310.398 -1.029 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001198761097 782163895 /nfs/dbraw/zinc/16/38/95/782163895.db2.gz AQQGPUCLDSGPRJ-HBNTYKKESA-N 1 1 321.399 -2.267 20 0 DAADMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000364199786 527012565 /nfs/dbraw/zinc/01/25/65/527012565.db2.gz DYFMXOJMEHFTDR-JTQLQIEISA-N 1 1 313.383 -1.005 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[N@H+]2CCCOCC2)c1=O ZINC000189389047 527033536 /nfs/dbraw/zinc/03/35/36/527033536.db2.gz XKJPMUCSLRXQMG-UHFFFAOYSA-N 1 1 310.354 -1.615 20 0 DAADMO Cn1cc[nH+]c1N1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000265740970 527446105 /nfs/dbraw/zinc/44/61/05/527446105.db2.gz GCRDVIMONRVKAE-UHFFFAOYSA-N 1 1 320.353 -1.037 20 0 DAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCn1cccn1 ZINC000339496623 527669877 /nfs/dbraw/zinc/66/98/77/527669877.db2.gz QEZSULLDQOAVOG-UHFFFAOYSA-N 1 1 309.370 -1.162 20 0 DAADMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198917748 782165328 /nfs/dbraw/zinc/16/53/28/782165328.db2.gz PDLDGXDDCWYCSL-SQNXGDPESA-N 1 1 301.387 -1.309 20 0 DAADMO CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198917748 782165323 /nfs/dbraw/zinc/16/53/23/782165323.db2.gz PDLDGXDDCWYCSL-SQNXGDPESA-N 1 1 301.387 -1.309 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198983091 782167344 /nfs/dbraw/zinc/16/73/44/782167344.db2.gz RWKPPYPFDRWRCC-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1 ZINC001198983490 782167670 /nfs/dbraw/zinc/16/76/70/782167670.db2.gz WTBUJULXEYNNTI-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001199010848 782167706 /nfs/dbraw/zinc/16/77/06/782167706.db2.gz HFRHQUMSRNDLAY-GHMZBOCLSA-N 1 1 310.358 -2.036 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001199011071 782167817 /nfs/dbraw/zinc/16/78/17/782167817.db2.gz JFPNILMJCICPSX-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 ZINC001198970739 782167891 /nfs/dbraw/zinc/16/78/91/782167891.db2.gz VNLPIZYRTFVOFI-RAIGVLPGSA-N 1 1 322.365 -1.647 20 0 DAADMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284518301 536319415 /nfs/dbraw/zinc/31/94/15/536319415.db2.gz IPRYLIVUTIQODZ-CYBMUJFWSA-N 1 1 310.358 -1.049 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1=O ZINC000285987895 536479896 /nfs/dbraw/zinc/47/98/96/536479896.db2.gz YFJPJLMWPZCVHX-VXGBXAGGSA-N 1 1 322.365 -1.522 20 0 DAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1COCCO1 ZINC000340577266 536783146 /nfs/dbraw/zinc/78/31/46/536783146.db2.gz VFHVOILQMRUPKI-LBPRGKRZSA-N 1 1 317.386 -1.398 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2C2CCOCC2)[C@H]2NCN[C@H]21 ZINC001199083623 782168922 /nfs/dbraw/zinc/16/89/22/782168922.db2.gz UDNAYNQPVFIBIW-YNEHKIRRSA-N 1 1 321.385 -1.633 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000348205641 545643618 /nfs/dbraw/zinc/64/36/18/545643618.db2.gz XYRBODIKPKRBOT-GFQSEFKGSA-N 1 1 301.387 -1.621 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000668360304 545644638 /nfs/dbraw/zinc/64/46/38/545644638.db2.gz YPJCDILOYWWGOT-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668373847 545644812 /nfs/dbraw/zinc/64/48/12/545644812.db2.gz LZFJQVJIHAQSGU-AAVRWANBSA-N 1 1 314.382 -1.374 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000668373903 545645116 /nfs/dbraw/zinc/64/51/16/545645116.db2.gz NCEDEPBPDWLBCK-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668373848 545645466 /nfs/dbraw/zinc/64/54/66/545645466.db2.gz LZFJQVJIHAQSGU-REWJHTLYSA-N 1 1 314.382 -1.374 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000668436500 545647576 /nfs/dbraw/zinc/64/75/76/545647576.db2.gz GYRWVLSOSVAPLX-JTQLQIEISA-N 1 1 308.404 -1.781 20 0 DAADMO COC[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000672596363 545655633 /nfs/dbraw/zinc/65/56/33/545655633.db2.gz AOEIGEFVKOSTQG-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(NCC[NH+]1CCSCC1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668638179 545656944 /nfs/dbraw/zinc/65/69/44/545656944.db2.gz CVJXARZKARNDFL-IJLUTSLNSA-N 1 1 302.396 -1.436 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)C[NH+]1CCOCC1 ZINC000668728664 545660961 /nfs/dbraw/zinc/66/09/61/545660961.db2.gz UHJIPTXOPQMDPM-MNOVXSKESA-N 1 1 312.370 -1.924 20 0 DAADMO COCC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000407979397 545664303 /nfs/dbraw/zinc/66/43/03/545664303.db2.gz YRXYTEYIGISIQH-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668891822 545677700 /nfs/dbraw/zinc/67/77/00/545677700.db2.gz CZRMCECTYJCWAW-RWMBFGLXSA-N 1 1 312.414 -1.280 20 0 DAADMO CCN(C#N)CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000602791602 545681692 /nfs/dbraw/zinc/68/16/92/545681692.db2.gz WLQJFDIUACSYMT-OLZOCXBDSA-N 1 1 316.427 -1.123 20 0 DAADMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602863876 545681887 /nfs/dbraw/zinc/68/18/87/545681887.db2.gz IOENRTDIFPQGNJ-UHFFFAOYSA-N 1 1 324.385 -1.056 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000162506274 545681914 /nfs/dbraw/zinc/68/19/14/545681914.db2.gz CQUQFPVYOMCUQP-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO C[C@@H](O)C[N@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000408297039 545685718 /nfs/dbraw/zinc/68/57/18/545685718.db2.gz HPBCBRDKBWDKLS-WDEREUQCSA-N 1 1 307.416 -1.209 20 0 DAADMO CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C[C@H]21 ZINC000671815965 545687982 /nfs/dbraw/zinc/68/79/82/545687982.db2.gz AIKDCVQXNPAXOY-MRVWCRGKSA-N 1 1 322.409 -1.119 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cccn2)C1 ZINC000342904346 545693704 /nfs/dbraw/zinc/69/37/04/545693704.db2.gz VUAWPJZXANTKJF-LBPRGKRZSA-N 1 1 309.370 -1.164 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000342667365 545694114 /nfs/dbraw/zinc/69/41/14/545694114.db2.gz NXWPGULSWWUPGV-GFCCVEGCSA-N 1 1 317.386 -1.398 20 0 DAADMO Cn1ccnc1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000342963381 545695465 /nfs/dbraw/zinc/69/54/65/545695465.db2.gz AARBSUICJNHZMO-UHFFFAOYSA-N 1 1 323.397 -1.049 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000428050654 545697589 /nfs/dbraw/zinc/69/75/89/545697589.db2.gz AVEJWSQAQSQVKL-GARJFASQSA-N 1 1 315.370 -1.111 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000428050654 545697596 /nfs/dbraw/zinc/69/75/96/545697596.db2.gz AVEJWSQAQSQVKL-GARJFASQSA-N 1 1 315.370 -1.111 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000428050656 545698726 /nfs/dbraw/zinc/69/87/26/545698726.db2.gz AVEJWSQAQSQVKL-VWYCJHECSA-N 1 1 315.370 -1.111 20 0 DAADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000428050656 545698728 /nfs/dbraw/zinc/69/87/28/545698728.db2.gz AVEJWSQAQSQVKL-VWYCJHECSA-N 1 1 315.370 -1.111 20 0 DAADMO COC(=O)[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@H+](C)C1 ZINC000416576123 545698925 /nfs/dbraw/zinc/69/89/25/545698925.db2.gz COXAMEJIMYLJFN-LLVKDONJSA-N 1 1 321.399 -1.400 20 0 DAADMO COC(=O)[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[N@@H+](C)C1 ZINC000416576123 545698932 /nfs/dbraw/zinc/69/89/32/545698932.db2.gz COXAMEJIMYLJFN-LLVKDONJSA-N 1 1 321.399 -1.400 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000331107820 545700588 /nfs/dbraw/zinc/70/05/88/545700588.db2.gz RQVMQXSWIVOGLR-CMPLNLGQSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@@H+]1CCO ZINC000331126417 545700944 /nfs/dbraw/zinc/70/09/44/545700944.db2.gz BSOUWYIZAHNUAU-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@H+]1CCO ZINC000331126417 545700948 /nfs/dbraw/zinc/70/09/48/545700948.db2.gz BSOUWYIZAHNUAU-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC000331301127 545704542 /nfs/dbraw/zinc/70/45/42/545704542.db2.gz CASJJSWQBLTZIK-UHFFFAOYSA-N 1 1 308.404 -1.779 20 0 DAADMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC000424994517 545705828 /nfs/dbraw/zinc/70/58/28/545705828.db2.gz YNSBVHYBOARLQR-SNVBAGLBSA-N 1 1 302.375 -1.415 20 0 DAADMO COC(=O)C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)OC ZINC000343540408 545707505 /nfs/dbraw/zinc/70/75/05/545707505.db2.gz KLCCYYLXNXXOIP-MNOVXSKESA-N 1 1 313.354 -1.403 20 0 DAADMO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000343792697 545707603 /nfs/dbraw/zinc/70/76/03/545707603.db2.gz JTWIILYCXJNFIT-AWEZNQCLSA-N 1 1 310.354 -1.174 20 0 DAADMO CNC(=O)CN(C)c1nc(NC)[nH+]c(N(C)CC(=O)NC)n1 ZINC000343796077 545707620 /nfs/dbraw/zinc/70/76/20/545707620.db2.gz VSBNCGPPKDFNCF-UHFFFAOYSA-N 1 1 310.362 -2.300 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCn2ccnn2)C1 ZINC000343909195 545708222 /nfs/dbraw/zinc/70/82/22/545708222.db2.gz KEZWEABKCFYZMI-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000343927064 545709349 /nfs/dbraw/zinc/70/93/49/545709349.db2.gz UWRVADVSIJGDMH-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000343849532 545709383 /nfs/dbraw/zinc/70/93/83/545709383.db2.gz YPQORERVFBFKNV-CMPLNLGQSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000343884478 545709455 /nfs/dbraw/zinc/70/94/55/545709455.db2.gz GTYVOPQCVRRKKA-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2[C@@H](CO)CC[C@H]2CO)cn1 ZINC000347269882 545715192 /nfs/dbraw/zinc/71/51/92/545715192.db2.gz GXEPAXUVJDFMFC-PHIMTYICSA-N 1 1 318.399 -1.484 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2[C@@H](CO)CC[C@H]2CO)cn1 ZINC000347269882 545715195 /nfs/dbraw/zinc/71/51/95/545715195.db2.gz GXEPAXUVJDFMFC-PHIMTYICSA-N 1 1 318.399 -1.484 20 0 DAADMO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000347425413 545717168 /nfs/dbraw/zinc/71/71/68/545717168.db2.gz HYTPMJXTBSYKLB-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CCCNC(=O)CN(C)C(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347344776 545717397 /nfs/dbraw/zinc/71/73/97/545717397.db2.gz SFNUBUBHICRHIM-VXGBXAGGSA-N 1 1 301.387 -1.211 20 0 DAADMO Cn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329432116 545719367 /nfs/dbraw/zinc/71/93/67/545719367.db2.gz KUWFNRWTFFSYRY-VIFPVBQESA-N 1 1 320.353 -1.107 20 0 DAADMO Cn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nc2c1c(=O)[nH]c(=O)n2C ZINC000329432116 545719370 /nfs/dbraw/zinc/71/93/70/545719370.db2.gz KUWFNRWTFFSYRY-VIFPVBQESA-N 1 1 320.353 -1.107 20 0 DAADMO CNc1nc(N2C[C@H](C)[C@H](O)C2)nc(N2C[C@H](C)[C@H](O)C2)[nH+]1 ZINC000351499106 545720152 /nfs/dbraw/zinc/72/01/52/545720152.db2.gz BIMJBNPRDOFQTO-UKKRHICBSA-N 1 1 308.386 -1.031 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCOC2)CC1 ZINC000670967544 545721295 /nfs/dbraw/zinc/72/12/95/545721295.db2.gz VHZRHKLXQMSACT-NSHDSACASA-N 1 1 312.370 -1.828 20 0 DAADMO CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000331702436 545726638 /nfs/dbraw/zinc/72/66/38/545726638.db2.gz FXAVBJBWPFFTLK-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000331944544 545728601 /nfs/dbraw/zinc/72/86/01/545728601.db2.gz GKNJXTIKVUYVHN-ZDUSSCGKSA-N 1 1 312.414 -1.013 20 0 DAADMO C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[N@@H+]1CCO ZINC000330324229 545728791 /nfs/dbraw/zinc/72/87/91/545728791.db2.gz UALUEZSVEZOADG-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000330324229 545728798 /nfs/dbraw/zinc/72/87/98/545728798.db2.gz UALUEZSVEZOADG-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CN(C)C(=O)COC1CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000353013992 545735489 /nfs/dbraw/zinc/73/54/89/545735489.db2.gz RNSGBGCFYUFMBH-GFCCVEGCSA-N 1 1 301.387 -1.532 20 0 DAADMO COCCCS(=O)(=O)NCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358061833 545738870 /nfs/dbraw/zinc/73/88/70/545738870.db2.gz WOODNIDCILRRLQ-GFCCVEGCSA-N 1 1 323.415 -1.875 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000357986413 545739395 /nfs/dbraw/zinc/73/93/95/545739395.db2.gz ZRVSEYGJAHAYGS-CYBMUJFWSA-N 1 1 321.381 -1.149 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000358052558 545740802 /nfs/dbraw/zinc/74/08/02/545740802.db2.gz FTQIVTWPVINWKW-HUUCEWRRSA-N 1 1 324.381 -1.110 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000358077977 545740838 /nfs/dbraw/zinc/74/08/38/545740838.db2.gz MXFAFTDKSZWLJV-HNNXBMFYSA-N 1 1 317.349 -1.026 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CO)NC(=O)C(C)C)C1 ZINC000362759169 545743939 /nfs/dbraw/zinc/74/39/39/545743939.db2.gz LJPAGHMHMVMRBE-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@H](CO)NC(=O)C(C)C)C1 ZINC000362759168 545744999 /nfs/dbraw/zinc/74/49/99/545744999.db2.gz LJPAGHMHMVMRBE-RYUDHWBXSA-N 1 1 301.387 -1.044 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828028 545746252 /nfs/dbraw/zinc/74/62/52/545746252.db2.gz VKTJWZRTAQHPQB-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCNC(=O)C1 ZINC000362826074 545747036 /nfs/dbraw/zinc/74/70/36/545747036.db2.gz LHYXFOLSQDZPOO-GFCCVEGCSA-N 1 1 323.397 -2.159 20 0 DAADMO CCNC(=O)NC(=O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832143 545747257 /nfs/dbraw/zinc/74/72/57/545747257.db2.gz WBUHAZDIBALZDZ-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000367456430 545748703 /nfs/dbraw/zinc/74/87/03/545748703.db2.gz OUHJFVZCAYEJJQ-TXEJJXNPSA-N 1 1 321.429 -1.062 20 0 DAADMO C[NH+]1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000368626869 545751205 /nfs/dbraw/zinc/75/12/05/545751205.db2.gz UZAQKWIQOHHCIY-LLVKDONJSA-N 1 1 304.416 -1.487 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCn2cc(C(=O)OC)nn2)C1 ZINC000375981927 545753989 /nfs/dbraw/zinc/75/39/89/545753989.db2.gz ZIIBCFKIGYNTST-LLVKDONJSA-N 1 1 311.342 -1.098 20 0 DAADMO COC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000377452205 545756214 /nfs/dbraw/zinc/75/62/14/545756214.db2.gz WUMHKZYJUYLCBV-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000377452205 545756216 /nfs/dbraw/zinc/75/62/16/545756216.db2.gz WUMHKZYJUYLCBV-UHFFFAOYSA-N 1 1 300.359 -1.035 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671163571 545758002 /nfs/dbraw/zinc/75/80/02/545758002.db2.gz OGHCLDAYHRTDEJ-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO COCCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671163571 545758006 /nfs/dbraw/zinc/75/80/06/545758006.db2.gz OGHCLDAYHRTDEJ-NEPJUHHUSA-N 1 1 317.386 -1.399 20 0 DAADMO O=S(=O)(NC[C@@H]1COCC[NH2+]1)c1ccc(-n2cnnn2)cc1 ZINC000528057130 545777673 /nfs/dbraw/zinc/77/76/73/545777673.db2.gz QPTJZKVGRDATRN-SNVBAGLBSA-N 1 1 324.366 -1.071 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1O ZINC001199104791 782168990 /nfs/dbraw/zinc/16/89/90/782168990.db2.gz SUDPGLCAXYAMDP-CHWSQXEVSA-N 1 1 310.402 -1.183 20 0 DAADMO CN1CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)S1(=O)=O ZINC000648713175 545783646 /nfs/dbraw/zinc/78/36/46/545783646.db2.gz MOTQHYLTMZZLNN-NSHDSACASA-N 1 1 305.400 -1.141 20 0 DAADMO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000489049158 545794199 /nfs/dbraw/zinc/79/41/99/545794199.db2.gz XPOHTSARHLPCAT-VXGBXAGGSA-N 1 1 307.354 -1.837 20 0 DAADMO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)N1CCN(c2cnccn2)CC1 ZINC000489049144 545795264 /nfs/dbraw/zinc/79/52/64/545795264.db2.gz XPOHTSARHLPCAT-RYUDHWBXSA-N 1 1 307.354 -1.837 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)NC)C2 ZINC001110526664 782169194 /nfs/dbraw/zinc/16/91/94/782169194.db2.gz SXWPRLFTSBOGJF-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)NC)C2 ZINC001110526664 782169197 /nfs/dbraw/zinc/16/91/97/782169197.db2.gz SXWPRLFTSBOGJF-MXWKQRLJSA-N 1 1 311.386 -1.227 20 0 DAADMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@](O)(C(N)=O)C2)C[C@H](C)O1 ZINC000346561863 545797718 /nfs/dbraw/zinc/79/77/18/545797718.db2.gz BTUPMNYHLUSBMA-COMQUAJESA-N 1 1 315.414 -1.231 20 0 DAADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649335457 545801843 /nfs/dbraw/zinc/80/18/43/545801843.db2.gz DHIVQXOYBBXMNR-KBXIAJHMSA-N 1 1 308.426 -1.026 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000649473888 545803932 /nfs/dbraw/zinc/80/39/32/545803932.db2.gz SBLANKNWEMWLMS-YNEHKIRRSA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000649473888 545803941 /nfs/dbraw/zinc/80/39/41/545803941.db2.gz SBLANKNWEMWLMS-YNEHKIRRSA-N 1 1 312.414 -1.232 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnoc2C(F)(F)F)[C@H]2NCN[C@H]21 ZINC001199061592 782169170 /nfs/dbraw/zinc/16/91/70/782169170.db2.gz QQBBJKUQXLDVQG-UIISKDMLSA-N 1 1 306.248 -1.174 20 0 DAADMO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656022238 545810025 /nfs/dbraw/zinc/81/00/25/545810025.db2.gz WSRBVTPQOYFIBL-FVCCEPFGSA-N 1 1 310.398 -1.350 20 0 DAADMO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656022339 545810511 /nfs/dbraw/zinc/81/05/11/545810511.db2.gz WSRBVTPQOYFIBL-MROQNXINSA-N 1 1 310.398 -1.350 20 0 DAADMO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025592 545811006 /nfs/dbraw/zinc/81/10/06/545811006.db2.gz OBHPCJUWAAOTOR-RWMBFGLXSA-N 1 1 312.414 -1.103 20 0 DAADMO COC1(CO)CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000656025776 545811669 /nfs/dbraw/zinc/81/16/69/545811669.db2.gz SORDYIVCUZALRE-UHFFFAOYSA-N 1 1 309.313 -1.304 20 0 DAADMO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000656023991 545811776 /nfs/dbraw/zinc/81/17/76/545811776.db2.gz GWDGYUIQWWPUKI-BFHYXJOUSA-N 1 1 324.425 -1.103 20 0 DAADMO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000656023992 545811802 /nfs/dbraw/zinc/81/18/02/545811802.db2.gz GWDGYUIQWWPUKI-MJBXVCDLSA-N 1 1 324.425 -1.103 20 0 DAADMO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656021758 545812008 /nfs/dbraw/zinc/81/20/08/545812008.db2.gz JELTWCVMNCFAHS-QWHCGFSZSA-N 1 1 312.414 -1.232 20 0 DAADMO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025591 545812030 /nfs/dbraw/zinc/81/20/30/545812030.db2.gz OBHPCJUWAAOTOR-FRRDWIJNSA-N 1 1 312.414 -1.103 20 0 DAADMO COCC[NH2+]CCNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656025380 545812081 /nfs/dbraw/zinc/81/20/81/545812081.db2.gz JBADGHOMNIVVPC-NWDGAFQWSA-N 1 1 314.386 -2.384 20 0 DAADMO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656068160 545812576 /nfs/dbraw/zinc/81/25/76/545812576.db2.gz QEWXFBIOAYIAND-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO CC1(C)CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656065454 545813364 /nfs/dbraw/zinc/81/33/64/545813364.db2.gz AIMYAYKAVHRODB-NWDGAFQWSA-N 1 1 311.382 -1.099 20 0 DAADMO CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656062671 545813582 /nfs/dbraw/zinc/81/35/82/545813582.db2.gz PWVBDHZVSJZQGD-YNEHKIRRSA-N 1 1 311.382 -1.099 20 0 DAADMO C[C@@]1(CO)CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656073744 545813736 /nfs/dbraw/zinc/81/37/36/545813736.db2.gz PQZCHVQAZNPPLB-ZOWXZIJZSA-N 1 1 311.382 -1.363 20 0 DAADMO C[C@]1(O)CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656075713 545813877 /nfs/dbraw/zinc/81/38/77/545813877.db2.gz STAGAMUHZOOMQU-ZOWXZIJZSA-N 1 1 311.382 -1.363 20 0 DAADMO CCN(C(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658820102 545813955 /nfs/dbraw/zinc/81/39/55/545813955.db2.gz CDXVNVMJYVSZRW-FRRDWIJNSA-N 1 1 313.398 -1.259 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656062670 545814106 /nfs/dbraw/zinc/81/41/06/545814106.db2.gz PWVBDHZVSJZQGD-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO CC[C@@H]1COCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065822 545814141 /nfs/dbraw/zinc/81/41/41/545814141.db2.gz NUMINASSOLOWQH-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CCCN(C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000656105252 545815105 /nfs/dbraw/zinc/81/51/05/545815105.db2.gz ZWKHLGZTUCYCEQ-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(CCOC2)C1 ZINC000656080990 545815232 /nfs/dbraw/zinc/81/52/32/545815232.db2.gz NMHRLZKWWDQJJA-WOSRLPQWSA-N 1 1 323.393 -1.097 20 0 DAADMO O=C(C(=O)N1CCO[C@H](C2CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656076161 545815550 /nfs/dbraw/zinc/81/55/50/545815550.db2.gz FJVOODWUGWDJNG-MJBXVCDLSA-N 1 1 323.393 -1.099 20 0 DAADMO CN(CC(C)(C)CO)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656087878 545815570 /nfs/dbraw/zinc/81/55/70/545815570.db2.gz IGQAWYJASZDLBP-NWDGAFQWSA-N 1 1 313.398 -1.259 20 0 DAADMO CC(C)[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104274 545817181 /nfs/dbraw/zinc/81/71/81/545817181.db2.gz MRUMBAPOXATALY-BFHYXJOUSA-N 1 1 324.425 -1.280 20 0 DAADMO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000656104264 545817347 /nfs/dbraw/zinc/81/73/47/545817347.db2.gz MNACRJKFURLCIR-RFQIPJPRSA-N 1 1 324.425 -1.150 20 0 DAADMO C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1C[NH3+] ZINC000656104581 545817569 /nfs/dbraw/zinc/81/75/69/545817569.db2.gz RCIKFIVOHQVXRY-XJFOESAGSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656104561 545817707 /nfs/dbraw/zinc/81/77/07/545817707.db2.gz QLESCMSGCUFQAT-QNWHQSFQSA-N 1 1 308.382 -2.058 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H](C)C[NH2+]1 ZINC000656104004 545817831 /nfs/dbraw/zinc/81/78/31/545817831.db2.gz FMHKSBYTPLTJQD-ZDEQEGDKSA-N 1 1 310.398 -1.527 20 0 DAADMO O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000656103966 545817888 /nfs/dbraw/zinc/81/78/88/545817888.db2.gz DOIMYUPAOATABB-IGQOVBAYSA-N 1 1 322.409 -1.526 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH3+] ZINC000656104020 545817969 /nfs/dbraw/zinc/81/79/69/545817969.db2.gz FVEBITPXSOFBGU-IGQOVBAYSA-N 1 1 324.425 -1.150 20 0 DAADMO CC[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000656104019 545818226 /nfs/dbraw/zinc/81/82/26/545818226.db2.gz FVEBITPXSOFBGU-FQUUOJAGSA-N 1 1 324.425 -1.150 20 0 DAADMO O=C(NC[C@H]1CCCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656302126 545819272 /nfs/dbraw/zinc/81/92/72/545819272.db2.gz HHKZHLJQGOHMOM-YNEHKIRRSA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656316184 545820203 /nfs/dbraw/zinc/82/02/03/545820203.db2.gz PVHLLXRNUPPVNE-YIYPIFLZSA-N 1 1 324.425 -1.137 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000656316184 545820207 /nfs/dbraw/zinc/82/02/07/545820207.db2.gz PVHLLXRNUPPVNE-YIYPIFLZSA-N 1 1 324.425 -1.137 20 0 DAADMO Cc1nccn1CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308015 545820472 /nfs/dbraw/zinc/82/04/72/545820472.db2.gz ZCXXYCWNOCBWDS-QWHCGFSZSA-N 1 1 321.381 -1.415 20 0 DAADMO CN1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1=O ZINC000656315962 545821074 /nfs/dbraw/zinc/82/10/74/545821074.db2.gz NTFBYPXGZYDQTL-SDDRHHMPSA-N 1 1 324.381 -1.999 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000157530056 545824172 /nfs/dbraw/zinc/82/41/72/545824172.db2.gz LKFNELVHJQWVMC-MNOVXSKESA-N 1 1 310.354 -1.618 20 0 DAADMO C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000157530056 545824181 /nfs/dbraw/zinc/82/41/81/545824181.db2.gz LKFNELVHJQWVMC-MNOVXSKESA-N 1 1 310.354 -1.618 20 0 DAADMO COCC(=O)NC1CN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000358479158 545824777 /nfs/dbraw/zinc/82/47/77/545824777.db2.gz OZHAUCGJBJLVAD-MBNYWOFBSA-N 1 1 315.414 -1.097 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670406357 545827268 /nfs/dbraw/zinc/82/72/68/545827268.db2.gz OSPPURMGBBOPMS-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670407463 545827414 /nfs/dbraw/zinc/82/74/14/545827414.db2.gz SCJTXHNYZNWBDD-LLVKDONJSA-N 1 1 307.354 -1.545 20 0 DAADMO CN1CC(=O)N(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1=O ZINC000670408812 545827461 /nfs/dbraw/zinc/82/74/61/545827461.db2.gz XOGYMWJOGWDXAP-LLVKDONJSA-N 1 1 309.370 -1.614 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000666098388 545830464 /nfs/dbraw/zinc/83/04/64/545830464.db2.gz ULUAEORELXGORG-XWLWVQCSSA-N 1 1 321.399 -1.885 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)C[NH+]1CCCC1 ZINC000627398556 545830727 /nfs/dbraw/zinc/83/07/27/545830727.db2.gz PUCNKMAVKZPZBR-STQMWFEESA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)C[NH+]1CCCC1 ZINC000627398555 545830750 /nfs/dbraw/zinc/83/07/50/545830750.db2.gz PUCNKMAVKZPZBR-QWHCGFSZSA-N 1 1 312.414 -1.061 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(=O)[nH]c1=O ZINC000670446991 545833370 /nfs/dbraw/zinc/83/33/70/545833370.db2.gz BPUFFDRLRMHJKN-JTQLQIEISA-N 1 1 307.354 -1.394 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CN3CCN2CCC3)c(=O)[nH]c1=O ZINC000670446991 545833375 /nfs/dbraw/zinc/83/33/75/545833375.db2.gz BPUFFDRLRMHJKN-JTQLQIEISA-N 1 1 307.354 -1.394 20 0 DAADMO NC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000658625345 545834912 /nfs/dbraw/zinc/83/49/12/545834912.db2.gz RGBLQEWKEGFISD-GFCCVEGCSA-N 1 1 324.381 -1.747 20 0 DAADMO C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000658867421 545835561 /nfs/dbraw/zinc/83/55/61/545835561.db2.gz NOINMPNOYSJXEO-WUHRBBMRSA-N 1 1 311.382 -1.364 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(COC2)C1 ZINC000658785133 545835868 /nfs/dbraw/zinc/83/58/68/545835868.db2.gz LEQGIXITDMUNGD-NWDGAFQWSA-N 1 1 309.366 -1.487 20 0 DAADMO C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000658867422 545836501 /nfs/dbraw/zinc/83/65/01/545836501.db2.gz NOINMPNOYSJXEO-YVECIDJPSA-N 1 1 311.382 -1.364 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]2COC[C@@H]2C1 ZINC000658785210 545836910 /nfs/dbraw/zinc/83/69/10/545836910.db2.gz MEDTYEXLKMAEQK-XDQVBPFNSA-N 1 1 323.393 -1.241 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000658785212 545837114 /nfs/dbraw/zinc/83/71/14/545837114.db2.gz MEDTYEXLKMAEQK-YIYPIFLZSA-N 1 1 323.393 -1.241 20 0 DAADMO C[N@H+]1CC[C@@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000518196270 545852597 /nfs/dbraw/zinc/85/25/97/545852597.db2.gz XSUANBUTYCONBR-JTQLQIEISA-N 1 1 321.385 -1.028 20 0 DAADMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)C1 ZINC000666911062 545857205 /nfs/dbraw/zinc/85/72/05/545857205.db2.gz NSPSWZKPSOYYMY-GHMZBOCLSA-N 1 1 304.416 -1.030 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC000667995031 545860166 /nfs/dbraw/zinc/86/01/66/545860166.db2.gz XGMSOXKPPDEJJP-UHFFFAOYSA-N 1 1 312.374 -1.127 20 0 DAADMO CN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)NC1=O ZINC000667911957 545860236 /nfs/dbraw/zinc/86/02/36/545860236.db2.gz VGORAJZQEWANQL-VXGBXAGGSA-N 1 1 323.397 -1.049 20 0 DAADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(n3cnnn3)CC2)C1 ZINC000667939238 545860323 /nfs/dbraw/zinc/86/03/23/545860323.db2.gz BYWCCFWFZRJCMI-NSHDSACASA-N 1 1 321.385 -1.134 20 0 DAADMO CN1C[C@H](C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)NC1=O ZINC000667911954 545860450 /nfs/dbraw/zinc/86/04/50/545860450.db2.gz VGORAJZQEWANQL-NEPJUHHUSA-N 1 1 323.397 -1.049 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671935072 545861663 /nfs/dbraw/zinc/86/16/63/545861663.db2.gz NURATCSCYNYRKS-IJLUTSLNSA-N 1 1 324.385 -1.382 20 0 DAADMO C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671935072 545861667 /nfs/dbraw/zinc/86/16/67/545861667.db2.gz NURATCSCYNYRKS-IJLUTSLNSA-N 1 1 324.385 -1.382 20 0 DAADMO C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)O)C[NH+]1CCOCC1 ZINC000671960701 545861945 /nfs/dbraw/zinc/86/19/45/545861945.db2.gz GXEYQQZQASKBMR-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO O=C(CC[N@@H+](CCO)CCN1CCOCC1)N1CCOCC1 ZINC000487492948 545863849 /nfs/dbraw/zinc/86/38/49/545863849.db2.gz ASEACQQDIJOPMK-UHFFFAOYSA-N 1 1 315.414 -1.138 20 0 DAADMO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)CN1CCCC1=O ZINC000674463988 545867503 /nfs/dbraw/zinc/86/75/03/545867503.db2.gz WLDNRGRYFNBXIN-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)CN1CCCC1=O ZINC000674463988 545867509 /nfs/dbraw/zinc/86/75/09/545867509.db2.gz WLDNRGRYFNBXIN-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000676242005 545870718 /nfs/dbraw/zinc/87/07/18/545870718.db2.gz LTAYLZPHUSZNKM-NXEZZACHSA-N 1 1 308.404 -1.446 20 0 DAADMO C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676242005 545870722 /nfs/dbraw/zinc/87/07/22/545870722.db2.gz LTAYLZPHUSZNKM-NXEZZACHSA-N 1 1 308.404 -1.446 20 0 DAADMO C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676290174 545871812 /nfs/dbraw/zinc/87/18/12/545871812.db2.gz NAOUKXODZDYGTE-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676290174 545871818 /nfs/dbraw/zinc/87/18/18/545871818.db2.gz NAOUKXODZDYGTE-RYUDHWBXSA-N 1 1 319.427 -1.448 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676244287 545872573 /nfs/dbraw/zinc/87/25/73/545872573.db2.gz TVWQVVBTQGUCKW-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO CCS(=O)(=O)NCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676244287 545872576 /nfs/dbraw/zinc/87/25/76/545872576.db2.gz TVWQVVBTQGUCKW-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000676489096 545872618 /nfs/dbraw/zinc/87/26/18/545872618.db2.gz JUHGYRCEKHPTGA-RWMBFGLXSA-N 1 1 321.333 -1.098 20 0 DAADMO C[C@H](NC(=O)NCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676244915 545872644 /nfs/dbraw/zinc/87/26/44/545872644.db2.gz DAANLBLAXQFPQM-UWVGGRQHSA-N 1 1 313.358 -1.444 20 0 DAADMO C[C@H](NC(=O)NCCN1C(=O)CNC1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244915 545872647 /nfs/dbraw/zinc/87/26/47/545872647.db2.gz DAANLBLAXQFPQM-UWVGGRQHSA-N 1 1 313.358 -1.444 20 0 DAADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H]1C ZINC000677218449 545874449 /nfs/dbraw/zinc/87/44/49/545874449.db2.gz JPPYCQRDABSVLR-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C[C@H]1C ZINC000677218449 545874457 /nfs/dbraw/zinc/87/44/57/545874457.db2.gz JPPYCQRDABSVLR-SNVBAGLBSA-N 1 1 322.369 -1.141 20 0 DAADMO Cn1nnnc1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000678538689 545876479 /nfs/dbraw/zinc/87/64/79/545876479.db2.gz XRVMBTVOMBYRQS-UHFFFAOYSA-N 1 1 324.389 -1.784 20 0 DAADMO O=C(CO)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678068632 545876860 /nfs/dbraw/zinc/87/68/60/545876860.db2.gz KQLBPTAWCHAYDB-UHFFFAOYSA-N 1 1 307.354 -1.046 20 0 DAADMO CS(=O)(=O)NCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081148 545877148 /nfs/dbraw/zinc/87/71/48/545877148.db2.gz OGAYMFSXSRXMAM-LBPRGKRZSA-N 1 1 318.443 -1.050 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000678431817 545877615 /nfs/dbraw/zinc/87/76/15/545877615.db2.gz VBUIVNZOHBYMOU-GFCCVEGCSA-N 1 1 318.443 -1.226 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1=O ZINC000679306703 545878438 /nfs/dbraw/zinc/87/84/38/545878438.db2.gz RJMGOAVMSOXVOT-GFCCVEGCSA-N 1 1 322.413 -1.134 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1=O ZINC000679306703 545878445 /nfs/dbraw/zinc/87/84/45/545878445.db2.gz RJMGOAVMSOXVOT-GFCCVEGCSA-N 1 1 322.413 -1.134 20 0 DAADMO Cc1nnc(CN2CC[NH+](CCCS(N)(=O)=O)CC2)[nH]1 ZINC000678888966 545878755 /nfs/dbraw/zinc/87/87/55/545878755.db2.gz RXUNWSILMIVHLP-UHFFFAOYSA-N 1 1 302.404 -1.091 20 0 DAADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000679637064 545880431 /nfs/dbraw/zinc/88/04/31/545880431.db2.gz HDRNBNRDMGJVOZ-ZIAGYGMSSA-N 1 1 315.414 -1.141 20 0 DAADMO C[C@H](NC(=O)NCCN1CCNC(=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000679714040 545880655 /nfs/dbraw/zinc/88/06/55/545880655.db2.gz ZJJWJDNIJYTPOG-RYUDHWBXSA-N 1 1 313.402 -1.564 20 0 DAADMO C[C@H](NC(=O)NCCN1CCNC(=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000679714040 545880660 /nfs/dbraw/zinc/88/06/60/545880660.db2.gz ZJJWJDNIJYTPOG-RYUDHWBXSA-N 1 1 313.402 -1.564 20 0 DAADMO C[C@@H](NC(=O)NCCN1CCNC(=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000679714041 545880819 /nfs/dbraw/zinc/88/08/19/545880819.db2.gz ZJJWJDNIJYTPOG-VXGBXAGGSA-N 1 1 313.402 -1.564 20 0 DAADMO C[C@@H](NC(=O)NCCN1CCNC(=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000679714041 545880822 /nfs/dbraw/zinc/88/08/22/545880822.db2.gz ZJJWJDNIJYTPOG-VXGBXAGGSA-N 1 1 313.402 -1.564 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCC(C)(C)NS(C)(=O)=O)C1 ZINC000680834890 545883390 /nfs/dbraw/zinc/88/33/90/545883390.db2.gz RAEHEGUXXXAQJO-GFCCVEGCSA-N 1 1 322.431 -1.320 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1CCO ZINC000681750376 545885951 /nfs/dbraw/zinc/88/59/51/545885951.db2.gz YSGLLHBCVJSTPN-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1CCO ZINC000681750376 545885954 /nfs/dbraw/zinc/88/59/54/545885954.db2.gz YSGLLHBCVJSTPN-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682011172 545885988 /nfs/dbraw/zinc/88/59/88/545885988.db2.gz STZFCSKYDJKSMV-UHFFFAOYSA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](NC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1)C(=O)N(C)C ZINC000682035212 545886081 /nfs/dbraw/zinc/88/60/81/545886081.db2.gz UJTNNMQAUJJNQQ-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000683574680 545890013 /nfs/dbraw/zinc/89/00/13/545890013.db2.gz WMCGRHJQBHADKV-DCAQKATOSA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683574680 545890017 /nfs/dbraw/zinc/89/00/17/545890017.db2.gz WMCGRHJQBHADKV-DCAQKATOSA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000683574681 545890106 /nfs/dbraw/zinc/89/01/06/545890106.db2.gz WMCGRHJQBHADKV-GARJFASQSA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000683574681 545890109 /nfs/dbraw/zinc/89/01/09/545890109.db2.gz WMCGRHJQBHADKV-GARJFASQSA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000683574682 545890450 /nfs/dbraw/zinc/89/04/50/545890450.db2.gz WMCGRHJQBHADKV-HBNTYKKESA-N 1 1 320.415 -1.222 20 0 DAADMO C[C@H](NC(=O)N1CC[C@@H](S(N)(=O)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000683574682 545890456 /nfs/dbraw/zinc/89/04/56/545890456.db2.gz WMCGRHJQBHADKV-HBNTYKKESA-N 1 1 320.415 -1.222 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685128765 545892128 /nfs/dbraw/zinc/89/21/28/545892128.db2.gz MUXPIYCGYXIWNF-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CCN(C)C(=O)CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685128765 545892131 /nfs/dbraw/zinc/89/21/31/545892131.db2.gz MUXPIYCGYXIWNF-MNOVXSKESA-N 1 1 314.386 -1.584 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1O ZINC001199135617 782170873 /nfs/dbraw/zinc/17/08/73/782170873.db2.gz BORPTNAMQUJHIY-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO CN(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cccnc1 ZINC001199164205 782171339 /nfs/dbraw/zinc/17/13/39/782171339.db2.gz QEIHQCFALJYBGQ-MCIONIFRSA-N 1 1 308.382 -1.162 20 0 DAADMO CN(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccnc1 ZINC001199164205 782171348 /nfs/dbraw/zinc/17/13/48/782171348.db2.gz QEIHQCFALJYBGQ-MCIONIFRSA-N 1 1 308.382 -1.162 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ccccn3)cn2)[C@@H]2NCN[C@@H]21 ZINC001199118736 782171629 /nfs/dbraw/zinc/17/16/29/782171629.db2.gz LEVYRXRSVACGDV-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(OC3CCC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001199149839 782171675 /nfs/dbraw/zinc/17/16/75/782171675.db2.gz YBEKTQYMMUFTOJ-UPJWGTAASA-N 1 1 319.369 -1.459 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001199111680 782171696 /nfs/dbraw/zinc/17/16/96/782171696.db2.gz HEUYXXMTZJIFBO-CHWSQXEVSA-N 1 1 310.402 -1.220 20 0 DAADMO COCCOc1cnc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cn1 ZINC001199130496 782171829 /nfs/dbraw/zinc/17/18/29/782171829.db2.gz FSUSTOLPHPZXKM-GRYCIOLGSA-N 1 1 323.357 -2.366 20 0 DAADMO COCCOc1ccncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001199238442 782172712 /nfs/dbraw/zinc/17/27/12/782172712.db2.gz ZZOYVGOIAIIPJF-AGIUHOORSA-N 1 1 322.369 -1.761 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001199210823 782173537 /nfs/dbraw/zinc/17/35/37/782173537.db2.gz MQIATZQHFLUWCJ-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(OC(F)F)c2)[C@@H]2NCN[C@@H]21 ZINC001199300440 782174146 /nfs/dbraw/zinc/17/41/46/782174146.db2.gz QSOWRZHWRXMCLD-BBBLOLIVSA-N 1 1 314.296 -1.184 20 0 DAADMO COCCOc1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cn1 ZINC001199258636 782174503 /nfs/dbraw/zinc/17/45/03/782174503.db2.gz YBAQWFUOXJOQGZ-GARJFASQSA-N 1 1 323.357 -2.366 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnccc2OC(F)F)[C@@H]2NCN[C@H]21 ZINC001199383110 782175872 /nfs/dbraw/zinc/17/58/72/782175872.db2.gz RFCCVDWTIQPJSG-AEJSXWLSSA-N 1 1 314.296 -1.184 20 0 DAADMO N[C@@H]1NCN(C(=O)c2c[nH+]ccc2N2CCCC2)[C@@H]2NCN[C@H]21 ZINC001199371300 782176591 /nfs/dbraw/zinc/17/65/91/782176591.db2.gz QHYGALODLJTOBP-MJBXVCDLSA-N 1 1 317.397 -1.186 20 0 DAADMO COCCOCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199323203 782176686 /nfs/dbraw/zinc/17/66/86/782176686.db2.gz BWJZRAZNRLQEMU-CHWSQXEVSA-N 1 1 320.386 -1.790 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199421189 782177678 /nfs/dbraw/zinc/17/76/78/782177678.db2.gz AHKQRLKBWQPPQI-OPRDCNLKSA-N 1 1 300.315 -1.840 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nonc2C)C1 ZINC001199421189 782177683 /nfs/dbraw/zinc/17/76/83/782177683.db2.gz AHKQRLKBWQPPQI-OPRDCNLKSA-N 1 1 300.315 -1.840 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2-c2cccnc2)[C@H]2NCN[C@@H]21 ZINC001199434463 782178211 /nfs/dbraw/zinc/17/82/11/782178211.db2.gz BRYYGLCFRQSWRV-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199449649 782178496 /nfs/dbraw/zinc/17/84/96/782178496.db2.gz BOQAYAPYRTVXFQ-VXGBXAGGSA-N 1 1 317.386 -1.534 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cccn(C3CCC3)c2=O)[C@H]2NCN[C@@H]21 ZINC001199489623 782179300 /nfs/dbraw/zinc/17/93/00/782179300.db2.gz IVIRXFDZHPJSER-JHJVBQTASA-N 1 1 318.381 -1.294 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001199523910 782181211 /nfs/dbraw/zinc/18/12/11/782181211.db2.gz NEPURBOOAMFQEC-IACUBPJLSA-N 1 1 323.397 -1.055 20 0 DAADMO O=C(COC[C@H]1CCCO1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199475584 782181244 /nfs/dbraw/zinc/18/12/44/782181244.db2.gz WNDYISOHCYORNU-JHJVBQTASA-N 1 1 302.371 -1.274 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H]2CCCO2)C1 ZINC001199474610 782181302 /nfs/dbraw/zinc/18/13/02/782181302.db2.gz QTYWACHWNYVLSX-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001199539594 782181884 /nfs/dbraw/zinc/18/18/84/782181884.db2.gz QOXDBSRULITEJX-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199523973 782182070 /nfs/dbraw/zinc/18/20/70/782182070.db2.gz QJXNTAWBATVQNO-IJLUTSLNSA-N 1 1 301.387 -1.322 20 0 DAADMO CC(C)n1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1=O ZINC001199516086 782182188 /nfs/dbraw/zinc/18/21/88/782182188.db2.gz NJDUBPXUDHOVLF-AVGNSLFASA-N 1 1 306.370 -1.438 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cn(-c3ncccn3)cn2)[C@@H]2NCN[C@H]21 ZINC001199558116 782182928 /nfs/dbraw/zinc/18/29/28/782182928.db2.gz FRRUDGARLZJPMY-AXFHLTTASA-N 1 1 315.341 -2.205 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001199552040 782183125 /nfs/dbraw/zinc/18/31/25/782183125.db2.gz YRBGRZQALPSCGR-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001199583427 782183249 /nfs/dbraw/zinc/18/32/49/782183249.db2.gz SZEKIEWXHOVZQA-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001199583427 782183252 /nfs/dbraw/zinc/18/32/52/782183252.db2.gz SZEKIEWXHOVZQA-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccc(OC3CCC3)n2)[C@H]2NCN[C@H]21 ZINC001199635749 782183308 /nfs/dbraw/zinc/18/33/08/782183308.db2.gz ABRKBEHFMANKJO-DMDPSCGWSA-N 1 1 319.369 -1.459 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nccc(OC3CCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001199635752 782183557 /nfs/dbraw/zinc/18/35/57/782183557.db2.gz ABRKBEHFMANKJO-WZRBSPASSA-N 1 1 319.369 -1.459 20 0 DAADMO COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001199582308 782183583 /nfs/dbraw/zinc/18/35/83/782183583.db2.gz FTDVNUVSNFLBOG-CHWSQXEVSA-N 1 1 322.365 -1.008 20 0 DAADMO CC(=O)NCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001199716226 782184742 /nfs/dbraw/zinc/18/47/42/782184742.db2.gz MBBGHRISCGBSNT-LBPRGKRZSA-N 1 1 324.385 -1.342 20 0 DAADMO O=C(C[NH+](CCO)CCO)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822993765 599572143 /nfs/dbraw/zinc/57/21/43/599572143.db2.gz XZJNABAWFLYONP-UHFFFAOYSA-N 1 1 320.353 -1.231 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001049366489 678580553 /nfs/dbraw/zinc/58/05/53/678580553.db2.gz ZHUCCUWJPQXKDR-UWVGGRQHSA-N 1 1 300.359 -2.156 20 0 DAADMO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241871 607223016 /nfs/dbraw/zinc/22/30/16/607223016.db2.gz PLBZDJSIRHYNDS-RKDXNWHRSA-N 1 1 305.346 -1.085 20 0 DAADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821241871 607223017 /nfs/dbraw/zinc/22/30/17/607223017.db2.gz PLBZDJSIRHYNDS-RKDXNWHRSA-N 1 1 305.346 -1.085 20 0 DAADMO NC(=O)C(NC(=S)NCCC[NH+]1CCOCC1)C(N)=O ZINC001199954724 782188741 /nfs/dbraw/zinc/18/87/41/782188741.db2.gz QRSJNXLPXFCKNQ-UHFFFAOYSA-N 1 1 303.388 -2.488 20 0 DAADMO COCC[N@H+](C)C[C@@H](O)CN1CCO[C@H](CS(C)(=O)=O)C1 ZINC000933644967 662390321 /nfs/dbraw/zinc/39/03/21/662390321.db2.gz XRAPEOWILGIQMI-OLZOCXBDSA-N 1 1 324.443 -1.329 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](CS(C)(=O)=O)C1 ZINC000933644967 662390322 /nfs/dbraw/zinc/39/03/22/662390322.db2.gz XRAPEOWILGIQMI-OLZOCXBDSA-N 1 1 324.443 -1.329 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924985533 662692198 /nfs/dbraw/zinc/69/21/98/662692198.db2.gz CBZMRWHBVYVFMS-AXFHLTTASA-N 1 1 307.416 -1.259 20 0 DAADMO CCOC(=O)C[C@H](CO)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908314365 662802472 /nfs/dbraw/zinc/80/24/72/662802472.db2.gz JSBBVULNLSLSMF-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746170 663154784 /nfs/dbraw/zinc/15/47/84/663154784.db2.gz CHWKALITKVIIEI-VIFPVBQESA-N 1 1 300.388 -1.173 20 0 DAADMO Cn1nnnc1SCCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746170 663154787 /nfs/dbraw/zinc/15/47/87/663154787.db2.gz CHWKALITKVIIEI-VIFPVBQESA-N 1 1 300.388 -1.173 20 0 DAADMO COC(=O)[C@@H](C)CS(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920536018 663306163 /nfs/dbraw/zinc/30/61/63/663306163.db2.gz YJDCVRSMGXERGZ-JTQLQIEISA-N 1 1 321.399 -1.511 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCN1CCCS1(=O)=O ZINC000751396353 663802224 /nfs/dbraw/zinc/80/22/24/663802224.db2.gz COGKAUVQPXBCCH-UHFFFAOYSA-N 1 1 305.400 -1.140 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCN(S(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000851766874 663897293 /nfs/dbraw/zinc/89/72/93/663897293.db2.gz PHMJSVGRYRXELX-TXEJJXNPSA-N 1 1 306.432 -1.083 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869779350 663936476 /nfs/dbraw/zinc/93/64/76/663936476.db2.gz ZXERLXBGDQPORJ-JTQLQIEISA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000880878968 663957333 /nfs/dbraw/zinc/95/73/33/663957333.db2.gz ONURDTIHBWLHAG-NSHDSACASA-N 1 1 305.400 -1.405 20 0 DAADMO C[NH+](C)CCN1C(=O)COCC12CN(CCS(C)(=O)=O)C2 ZINC001273811516 782190532 /nfs/dbraw/zinc/19/05/32/782190532.db2.gz KCSSHEBQMOGSFW-UHFFFAOYSA-N 1 1 319.427 -1.494 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000949238890 662305200 /nfs/dbraw/zinc/30/52/00/662305200.db2.gz NQESAASCSULVAD-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000949238890 662305204 /nfs/dbraw/zinc/30/52/04/662305204.db2.gz NQESAASCSULVAD-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)c1=O ZINC000969142925 662305818 /nfs/dbraw/zinc/30/58/18/662305818.db2.gz IRMBHOOYFRYFQY-SECBINFHSA-N 1 1 321.345 -2.504 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000947368829 662305929 /nfs/dbraw/zinc/30/59/29/662305929.db2.gz BGDIJNHKRPGKLL-RYUDHWBXSA-N 1 1 324.381 -1.492 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000969167639 662306481 /nfs/dbraw/zinc/30/64/81/662306481.db2.gz VEYCQAJNRMPZSK-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000969194553 662307867 /nfs/dbraw/zinc/30/78/67/662307867.db2.gz DBPJORCUUUXQGX-SNVBAGLBSA-N 1 1 322.373 -1.684 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001020420486 662307874 /nfs/dbraw/zinc/30/78/74/662307874.db2.gz YRFZPNUBDWRUPS-MGCOHNPYSA-N 1 1 319.373 -1.199 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC000947370484 662308106 /nfs/dbraw/zinc/30/81/06/662308106.db2.gz UKEDSBJYQNXNTN-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001020426032 662308734 /nfs/dbraw/zinc/30/87/34/662308734.db2.gz LDKQILSWHRVOTH-JRKPZEMJSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000969271576 662309583 /nfs/dbraw/zinc/30/95/83/662309583.db2.gz UADJUZMKDDIALM-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001020456899 662310721 /nfs/dbraw/zinc/31/07/21/662310721.db2.gz RJWRFAZZTVMUQL-FIQHERPVSA-N 1 1 323.397 -1.132 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001020460536 662310764 /nfs/dbraw/zinc/31/07/64/662310764.db2.gz DPNZYWOLVDPDOK-GMTAPVOTSA-N 1 1 321.385 -1.042 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC(=O)N2CCOCC2)C1 ZINC001039026009 662310876 /nfs/dbraw/zinc/31/08/76/662310876.db2.gz CAQPLLJKYXSRCM-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020463764 662311520 /nfs/dbraw/zinc/31/15/20/662311520.db2.gz JOYDSUANEVRJEJ-MGCOHNPYSA-N 1 1 324.410 -1.293 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020464048 662311670 /nfs/dbraw/zinc/31/16/70/662311670.db2.gz VYZBFZCYUKBYSV-HAQNSBGRSA-N 1 1 318.381 -1.355 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1)c1nnnn1C ZINC001020467845 662311750 /nfs/dbraw/zinc/31/17/50/662311750.db2.gz KTRJBSDDZMKDOK-AATLWQCWSA-N 1 1 307.358 -1.356 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1)c1nnnn1C ZINC001020471209 662312088 /nfs/dbraw/zinc/31/20/88/662312088.db2.gz YXUSYUWGARCZRU-ZYUZMQFOSA-N 1 1 322.373 -1.469 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001020479844 662313254 /nfs/dbraw/zinc/31/32/54/662313254.db2.gz CSEHBXJVDZDILR-KYZUINATSA-N 1 1 320.361 -1.343 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001020482400 662313627 /nfs/dbraw/zinc/31/36/27/662313627.db2.gz FHBJOZGRESYYTQ-OPRDCNLKSA-N 1 1 307.358 -1.575 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001020497259 662314276 /nfs/dbraw/zinc/31/42/76/662314276.db2.gz MOTPPHGMVFAVCT-GPCCPHFNSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]3(F)CCOC3)C2)[nH]c1=O ZINC001020509380 662314624 /nfs/dbraw/zinc/31/46/24/662314624.db2.gz SLPUPTMWJGWSFZ-RVBZMBCESA-N 1 1 313.333 -1.026 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020531634 662316552 /nfs/dbraw/zinc/31/65/52/662316552.db2.gz XTLZKVYPHTZTPK-GUBZILKMSA-N 1 1 322.373 -1.499 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000969441002 662317767 /nfs/dbraw/zinc/31/77/67/662317767.db2.gz WBMGKJIGMSBRPH-RNCFNFMXSA-N 1 1 307.358 -1.573 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001020535009 662317805 /nfs/dbraw/zinc/31/78/05/662317805.db2.gz USXFGQLHPLSGQY-IZLXSQMJSA-N 1 1 321.263 -1.543 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000969481038 662318809 /nfs/dbraw/zinc/31/88/09/662318809.db2.gz AWXODDVMGPWXFR-VWYCJHECSA-N 1 1 322.369 -1.491 20 0 DAADMO C[C@H](NC(=O)[C@@H]1COCCN1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969516843 662319374 /nfs/dbraw/zinc/31/93/74/662319374.db2.gz FWFWRLKYSPOHAR-AAEUAGOBSA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@H](NC(=O)[C@H]1COCCN1C)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000969513955 662320124 /nfs/dbraw/zinc/32/01/24/662320124.db2.gz JGIMFMVUXRSQLS-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O ZINC000969535282 662321118 /nfs/dbraw/zinc/32/11/18/662321118.db2.gz XIVBTXFFBZIDOT-LOWDOPEQSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@@H]1O ZINC000969536265 662321164 /nfs/dbraw/zinc/32/11/64/662321164.db2.gz CYWUTMKGLMINSX-NDBYEHHHSA-N 1 1 311.382 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001020553329 662321843 /nfs/dbraw/zinc/32/18/43/662321843.db2.gz XMHKHUDVPWFSAG-RVBZMBCESA-N 1 1 307.358 -1.384 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000969546054 662322156 /nfs/dbraw/zinc/32/21/56/662322156.db2.gz NRXMNYCNVBTAHN-SNVBAGLBSA-N 1 1 307.358 -1.058 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969572624 662322350 /nfs/dbraw/zinc/32/23/50/662322350.db2.gz GBXIYKYMNZBREJ-LLVKDONJSA-N 1 1 321.385 -2.063 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000969566684 662322643 /nfs/dbraw/zinc/32/26/43/662322643.db2.gz MOCKEAMJNOEXFU-MWLCHTKSSA-N 1 1 319.369 -1.165 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)n1 ZINC000969566748 662322890 /nfs/dbraw/zinc/32/28/90/662322890.db2.gz NJDAHABNNFXOLH-LLVKDONJSA-N 1 1 321.385 -2.063 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969568113 662322895 /nfs/dbraw/zinc/32/28/95/662322895.db2.gz YNJMMWHUORBVRE-SNVBAGLBSA-N 1 1 322.373 -2.668 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC000969575679 662322915 /nfs/dbraw/zinc/32/29/15/662322915.db2.gz ZRTXMPXBRZQJCB-NOZJJQNGSA-N 1 1 308.382 -1.210 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000969585827 662323563 /nfs/dbraw/zinc/32/35/63/662323563.db2.gz BBVGBYJNMSCBDV-NXEZZACHSA-N 1 1 307.358 -1.471 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC000969626136 662324290 /nfs/dbraw/zinc/32/42/90/662324290.db2.gz QFMVDRIJXHBJPV-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048842 662324922 /nfs/dbraw/zinc/32/49/22/662324922.db2.gz BNGIYFHMBZBSAI-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039048842 662324923 /nfs/dbraw/zinc/32/49/23/662324923.db2.gz BNGIYFHMBZBSAI-NXEZZACHSA-N 1 1 310.358 -1.398 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969743285 662325503 /nfs/dbraw/zinc/32/55/03/662325503.db2.gz CHYVFVCYVKQQEF-SECBINFHSA-N 1 1 303.326 -1.097 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC000969739964 662325610 /nfs/dbraw/zinc/32/56/10/662325610.db2.gz HMMQBOCAPONVDQ-MXWKQRLJSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)C1CC1 ZINC000969746833 662327093 /nfs/dbraw/zinc/32/70/93/662327093.db2.gz QWPYURICEBBACR-VWYCJHECSA-N 1 1 322.369 -1.554 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)C1CC1 ZINC000969746833 662327097 /nfs/dbraw/zinc/32/70/97/662327097.db2.gz QWPYURICEBBACR-VWYCJHECSA-N 1 1 322.369 -1.554 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000969747386 662327204 /nfs/dbraw/zinc/32/72/04/662327204.db2.gz XZQIEEVLKKMORN-VWYCJHECSA-N 1 1 324.385 -1.308 20 0 DAADMO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1)[NH+](C)C ZINC000969747386 662327206 /nfs/dbraw/zinc/32/72/06/662327206.db2.gz XZQIEEVLKKMORN-VWYCJHECSA-N 1 1 324.385 -1.308 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969770802 662328761 /nfs/dbraw/zinc/32/87/61/662328761.db2.gz OIUFIDBRASIPQR-NXEZZACHSA-N 1 1 322.373 -1.545 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969770805 662328771 /nfs/dbraw/zinc/32/87/71/662328771.db2.gz OIUFIDBRASIPQR-ZJUUUORDSA-N 1 1 322.373 -1.545 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC000969766950 662328886 /nfs/dbraw/zinc/32/88/86/662328886.db2.gz SDTQZUMWLFLSAS-ZYHUDNBSSA-N 1 1 321.385 -1.022 20 0 DAADMO CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1C ZINC000969765260 662328967 /nfs/dbraw/zinc/32/89/67/662328967.db2.gz BTOSYJVKRNMZTG-NXEZZACHSA-N 1 1 321.385 -1.251 20 0 DAADMO CCn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC000969770031 662329011 /nfs/dbraw/zinc/32/90/11/662329011.db2.gz ABZZCINPZWVAIU-MWLCHTKSSA-N 1 1 307.358 -1.330 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969781169 662329399 /nfs/dbraw/zinc/32/93/99/662329399.db2.gz CXHTYVBPESTVJQ-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000969781169 662329400 /nfs/dbraw/zinc/32/94/00/662329400.db2.gz CXHTYVBPESTVJQ-OUAUKWLOSA-N 1 1 310.354 -1.996 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)o1 ZINC000969786083 662330596 /nfs/dbraw/zinc/33/05/96/662330596.db2.gz UCJIQFCEMLNTHA-MRVPVSSYSA-N 1 1 315.351 -1.141 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC000969814030 662332256 /nfs/dbraw/zinc/33/22/56/662332256.db2.gz YTFSARKCKUWGRK-QUGYJXMDSA-N 1 1 323.393 -1.339 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1)c1nnnn1C ZINC001020597133 662332812 /nfs/dbraw/zinc/33/28/12/662332812.db2.gz BWTYPEBLCGABEF-WLRJLXCNSA-N 1 1 307.358 -1.371 20 0 DAADMO C[C@@H](NC(=O)c1cc(=O)n(C)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000969878495 662333727 /nfs/dbraw/zinc/33/37/27/662333727.db2.gz RIZJFUQIWPXTQD-SKDRFNHKSA-N 1 1 319.365 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969881036 662333818 /nfs/dbraw/zinc/33/38/18/662333818.db2.gz LOMBONJFWPGMIE-ZJUUUORDSA-N 1 1 321.381 -1.035 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC000969894279 662333911 /nfs/dbraw/zinc/33/39/11/662333911.db2.gz PKMSHYGXSACTGB-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO O=C(Cc1cnc[nH]1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020636629 662334318 /nfs/dbraw/zinc/33/43/18/662334318.db2.gz BFHUHIXICVTCDI-QXEWZRGKSA-N 1 1 305.338 -1.006 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 ZINC000969931950 662334710 /nfs/dbraw/zinc/33/47/10/662334710.db2.gz YDYGCYTURMLRLB-ADEWGFFLSA-N 1 1 322.369 -1.462 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)[nH]1 ZINC000969931777 662334872 /nfs/dbraw/zinc/33/48/72/662334872.db2.gz UDEBCMQFGPVUGQ-OUAUKWLOSA-N 1 1 322.369 -1.163 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)O1 ZINC000969930199 662335040 /nfs/dbraw/zinc/33/50/40/662335040.db2.gz CCYUZCMSJLILGB-DVVUODLYSA-N 1 1 309.326 -1.207 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CC[N@H+]1C ZINC000969962272 662335200 /nfs/dbraw/zinc/33/52/00/662335200.db2.gz LJJBRZQTFVAWQQ-MMWGEVLESA-N 1 1 312.370 -2.110 20 0 DAADMO Cn1ncc(CCC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC000969977059 662335805 /nfs/dbraw/zinc/33/58/05/662335805.db2.gz IMJSHDHJUGGBQI-LLVKDONJSA-N 1 1 319.373 -1.338 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)CC[N@H+]1C ZINC000970000720 662336810 /nfs/dbraw/zinc/33/68/10/662336810.db2.gz CUMVXVHNJRQUSO-IQIPOGNMSA-N 1 1 323.353 -1.289 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)C1 ZINC000969999116 662336832 /nfs/dbraw/zinc/33/68/32/662336832.db2.gz HQADPBZSONLQNA-JLLWLGSASA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC000970010365 662338423 /nfs/dbraw/zinc/33/84/23/662338423.db2.gz SFUBGRMVWALJOE-UTUOFQBUSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncccn2)[C@@H](O)C1 ZINC000970017628 662338729 /nfs/dbraw/zinc/33/87/29/662338729.db2.gz BJEVJVLJANRTIU-WOPDTQHZSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3ncccn3)[C@@H](O)C2)C1 ZINC000970027163 662338836 /nfs/dbraw/zinc/33/88/36/662338836.db2.gz MSOWMOKMYKLHKM-TUAOUCFPSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccnn2)[C@@H](O)C1 ZINC000970040583 662339401 /nfs/dbraw/zinc/33/94/01/662339401.db2.gz JUKYAZBIJVIBOS-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001020744898 662341380 /nfs/dbraw/zinc/34/13/80/662341380.db2.gz FSRIOZTVKCOVDG-KYZUINATSA-N 1 1 321.341 -2.000 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC001020744463 662341399 /nfs/dbraw/zinc/34/13/99/662341399.db2.gz WQICRCOPYTWOMX-CIUDSAMLSA-N 1 1 305.346 -1.050 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)CCO1 ZINC001020776877 662342022 /nfs/dbraw/zinc/34/20/22/662342022.db2.gz LBCMAFQPBVHRDN-DCAQKATOSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)CCO1 ZINC001020776877 662342025 /nfs/dbraw/zinc/34/20/25/662342025.db2.gz LBCMAFQPBVHRDN-DCAQKATOSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)CCO1 ZINC001020776878 662342638 /nfs/dbraw/zinc/34/26/38/662342638.db2.gz LBCMAFQPBVHRDN-GMTAPVOTSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)CCO1 ZINC001020776878 662342640 /nfs/dbraw/zinc/34/26/40/662342640.db2.gz LBCMAFQPBVHRDN-GMTAPVOTSA-N 1 1 322.369 -1.098 20 0 DAADMO CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001020838270 662343311 /nfs/dbraw/zinc/34/33/11/662343311.db2.gz DTABHEWLPNFIPA-KYZUINATSA-N 1 1 305.346 -1.128 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970119177 662343427 /nfs/dbraw/zinc/34/34/27/662343427.db2.gz OIHLVLJMDHHXOY-ZJUUUORDSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nn1 ZINC000970118752 662343743 /nfs/dbraw/zinc/34/37/43/662343743.db2.gz HOWCERHLEVVZKS-SCZZXKLOSA-N 1 1 321.341 -1.896 20 0 DAADMO Cc1nonc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020861062 662344168 /nfs/dbraw/zinc/34/41/68/662344168.db2.gz KEMRZKIPMJZHIV-KYZUINATSA-N 1 1 306.330 -1.119 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020905127 662345037 /nfs/dbraw/zinc/34/50/37/662345037.db2.gz UGQOTRAGNHGUPM-CIUDSAMLSA-N 1 1 306.326 -1.611 20 0 DAADMO Cn1[n-]c(C[NH2+]C2CC(NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001020933186 662345475 /nfs/dbraw/zinc/34/54/75/662345475.db2.gz CNZCJTLLDZAVBN-XYPYZODXSA-N 1 1 320.397 -1.059 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001020933186 662345477 /nfs/dbraw/zinc/34/54/77/662345477.db2.gz CNZCJTLLDZAVBN-XYPYZODXSA-N 1 1 320.397 -1.059 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001020987960 662346055 /nfs/dbraw/zinc/34/60/55/662346055.db2.gz VPPWQRFPPKLMFL-SRVKXCTJSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC001021014577 662346817 /nfs/dbraw/zinc/34/68/17/662346817.db2.gz AETAPUPIHDXRHA-MGCOHNPYSA-N 1 1 317.353 -1.041 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1)c1nnnn1C ZINC001021020246 662346983 /nfs/dbraw/zinc/34/69/83/662346983.db2.gz AGCKZCJFFBRFLK-GUBZILKMSA-N 1 1 305.346 -1.200 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970185768 662348504 /nfs/dbraw/zinc/34/85/04/662348504.db2.gz VNGXUPXVGCKVOY-JTQLQIEISA-N 1 1 321.381 -1.081 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970183898 662348710 /nfs/dbraw/zinc/34/87/10/662348710.db2.gz FJQXQVZQSOZDHJ-CABZTGNLSA-N 1 1 319.365 -1.281 20 0 DAADMO CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970195027 662348958 /nfs/dbraw/zinc/34/89/58/662348958.db2.gz LTJVRJVSQOZYQW-ONGXEEELSA-N 1 1 317.411 -1.254 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001021047735 662349052 /nfs/dbraw/zinc/34/90/52/662349052.db2.gz NBQVATXZRCGRIZ-DCAQKATOSA-N 1 1 308.386 -1.203 20 0 DAADMO Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001021047735 662349055 /nfs/dbraw/zinc/34/90/55/662349055.db2.gz NBQVATXZRCGRIZ-DCAQKATOSA-N 1 1 308.386 -1.203 20 0 DAADMO CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000970192484 662349074 /nfs/dbraw/zinc/34/90/74/662349074.db2.gz CHLORPZBEFBWIA-WPRPVWTQSA-N 1 1 303.384 -1.644 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039154647 662349996 /nfs/dbraw/zinc/34/99/96/662349996.db2.gz CMYOLCVIKPIFTF-LLVKDONJSA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039154647 662349997 /nfs/dbraw/zinc/34/99/97/662349997.db2.gz CMYOLCVIKPIFTF-LLVKDONJSA-N 1 1 321.385 -1.244 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)O1 ZINC000970208167 662351213 /nfs/dbraw/zinc/35/12/13/662351213.db2.gz HKOWYUQJBOOHAG-DOLQZWNJSA-N 1 1 314.342 -3.121 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)O1 ZINC000970208167 662351218 /nfs/dbraw/zinc/35/12/18/662351218.db2.gz HKOWYUQJBOOHAG-DOLQZWNJSA-N 1 1 314.342 -3.121 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970208580 662351595 /nfs/dbraw/zinc/35/15/95/662351595.db2.gz VEOOLVJDLKKNSA-VWYCJHECSA-N 1 1 312.370 -1.966 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970209044 662351776 /nfs/dbraw/zinc/35/17/76/662351776.db2.gz ZXCIYSMRPNDQTI-MXWKQRLJSA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)CC[N@H+]1C ZINC000970208974 662352042 /nfs/dbraw/zinc/35/20/42/662352042.db2.gz WDRKPMKDQCDLEI-MMWGEVLESA-N 1 1 312.370 -2.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001039156136 662353830 /nfs/dbraw/zinc/35/38/30/662353830.db2.gz YVRFTVMUANSOIW-VXGBXAGGSA-N 1 1 323.397 -1.286 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1)c1nnnn1C ZINC000970257681 662354808 /nfs/dbraw/zinc/35/48/08/662354808.db2.gz QUZNBEUEHNANQZ-RKDXNWHRSA-N 1 1 305.346 -1.096 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970255496 662354856 /nfs/dbraw/zinc/35/48/56/662354856.db2.gz YBOILZSLRBDAAJ-SECBINFHSA-N 1 1 321.341 -2.047 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@H](C)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000970256542 662354939 /nfs/dbraw/zinc/35/49/39/662354939.db2.gz NGEOEYVUJVIINR-XCBNKYQSSA-N 1 1 320.353 -1.032 20 0 DAADMO Cn1nnc(CN[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000970270717 662356386 /nfs/dbraw/zinc/35/63/86/662356386.db2.gz QMARAABMHULSIF-GFCCVEGCSA-N 1 1 323.401 -1.377 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970283416 662356804 /nfs/dbraw/zinc/35/68/04/662356804.db2.gz QZNIQENYEQEERH-MRVPVSSYSA-N 1 1 324.366 -1.220 20 0 DAADMO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000970287004 662356893 /nfs/dbraw/zinc/35/68/93/662356893.db2.gz GOYCOXPBXYJKMN-WCBMZHEXSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970292725 662357445 /nfs/dbraw/zinc/35/74/45/662357445.db2.gz NQIYTWIZLFOLHE-CMPLNLGQSA-N 1 1 310.398 -1.011 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001021141900 662357513 /nfs/dbraw/zinc/35/75/13/662357513.db2.gz JCFAHGQKROHLDM-IWSPIJDZSA-N 1 1 321.341 -2.000 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970340268 662358821 /nfs/dbraw/zinc/35/88/21/662358821.db2.gz OKDHHPRBIIMNTA-LDYMZIIASA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970340266 662358930 /nfs/dbraw/zinc/35/89/30/662358930.db2.gz OKDHHPRBIIMNTA-KCJUWKMLSA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970340412 662359119 /nfs/dbraw/zinc/35/91/19/662359119.db2.gz PDBIEVYMGHKZQG-VIFPVBQESA-N 1 1 307.354 -1.092 20 0 DAADMO C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+](CC(=O)N(C)C)C1 ZINC000970340411 662359282 /nfs/dbraw/zinc/35/92/82/662359282.db2.gz PDBIEVYMGHKZQG-SECBINFHSA-N 1 1 307.354 -1.092 20 0 DAADMO C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC000970340267 662359306 /nfs/dbraw/zinc/35/93/06/662359306.db2.gz OKDHHPRBIIMNTA-KWQFWETISA-N 1 1 305.338 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970342662 662359321 /nfs/dbraw/zinc/35/93/21/662359321.db2.gz DHSSYPWZDVBTQG-DTWKUNHWSA-N 1 1 307.354 -1.046 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000970354875 662359955 /nfs/dbraw/zinc/35/99/55/662359955.db2.gz UZHKDWXRALKJFT-SKDRFNHKSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](CC(=O)N2CCC2)C1 ZINC000970355144 662359961 /nfs/dbraw/zinc/35/99/61/662359961.db2.gz WWDWAIPLZXXESH-MWLCHTKSSA-N 1 1 309.370 -1.663 20 0 DAADMO CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC000970361390 662360631 /nfs/dbraw/zinc/36/06/31/662360631.db2.gz DPNHBXXUMAKUHT-SECBINFHSA-N 1 1 305.346 -1.174 20 0 DAADMO O=C(Cn1ncnn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001021258156 662362148 /nfs/dbraw/zinc/36/21/48/662362148.db2.gz NJZIXSOEMHRMJP-YATPEIPISA-N 1 1 319.369 -1.327 20 0 DAADMO O=C(Cc1ncn[nH]1)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000970446452 662362195 /nfs/dbraw/zinc/36/21/95/662362195.db2.gz BKMCATMAHVLAKE-SNVBAGLBSA-N 1 1 320.353 -1.313 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676535 662363559 /nfs/dbraw/zinc/36/35/59/662363559.db2.gz GAZWYPXNRSRRLY-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)C1=O ZINC001010676535 662363563 /nfs/dbraw/zinc/36/35/63/662363563.db2.gz GAZWYPXNRSRRLY-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001010695298 662363995 /nfs/dbraw/zinc/36/39/95/662363995.db2.gz QCVSNSCSJJLTBX-OLZOCXBDSA-N 1 1 308.386 -1.201 20 0 DAADMO Cn1cnnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038136643 662364062 /nfs/dbraw/zinc/36/40/62/662364062.db2.gz LZTDFUXQGNDEJM-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038136643 662364064 /nfs/dbraw/zinc/36/40/64/662364064.db2.gz LZTDFUXQGNDEJM-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038136647 662364091 /nfs/dbraw/zinc/36/40/91/662364091.db2.gz LZTDFUXQGNDEJM-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038136647 662364094 /nfs/dbraw/zinc/36/40/94/662364094.db2.gz LZTDFUXQGNDEJM-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970577792 662364681 /nfs/dbraw/zinc/36/46/81/662364681.db2.gz QZSIYRMCXRGGPS-HTQZYQBOSA-N 1 1 310.354 -1.651 20 0 DAADMO C[C@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970584078 662364908 /nfs/dbraw/zinc/36/49/08/662364908.db2.gz SCSZVNRXRAAECK-GZMMTYOYSA-N 1 1 320.353 -1.330 20 0 DAADMO C[C@@H](NC(=O)c1cnn(C)n1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000970584086 662364968 /nfs/dbraw/zinc/36/49/68/662364968.db2.gz SCSZVNRXRAAECK-LDYMZIIASA-N 1 1 320.353 -1.330 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CCC1=O ZINC001021367799 662365917 /nfs/dbraw/zinc/36/59/17/662365917.db2.gz XILRDFVYOOOIAH-FGWVZKOKSA-N 1 1 322.365 -1.268 20 0 DAADMO NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001021367412 662365966 /nfs/dbraw/zinc/36/59/66/662365966.db2.gz OFUQPJJNFHVIID-WVMKXHBISA-N 1 1 321.381 -1.159 20 0 DAADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001021394319 662366594 /nfs/dbraw/zinc/36/65/94/662366594.db2.gz DJXZEYVXCPDWJO-GYIHNLGQSA-N 1 1 310.354 -1.312 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000970644290 662366701 /nfs/dbraw/zinc/36/67/01/662366701.db2.gz XQLFMTNFNCSLSI-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000970644290 662366702 /nfs/dbraw/zinc/36/67/02/662366702.db2.gz XQLFMTNFNCSLSI-MXWKQRLJSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cncn2)C1)c1nnnn1C ZINC000970654064 662367008 /nfs/dbraw/zinc/36/70/08/662367008.db2.gz XQFIRMQBCWKALT-VHSXEESVSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970662530 662367136 /nfs/dbraw/zinc/36/71/36/662367136.db2.gz WBIRDULWGTVRFA-SECBINFHSA-N 1 1 321.341 -1.943 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970662554 662367151 /nfs/dbraw/zinc/36/71/51/662367151.db2.gz WSRRMVSOONFCLJ-MRVPVSSYSA-N 1 1 324.366 -1.220 20 0 DAADMO Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970665118 662367585 /nfs/dbraw/zinc/36/75/85/662367585.db2.gz MFPOERIGRFGZME-SNVBAGLBSA-N 1 1 320.353 -1.338 20 0 DAADMO CN1C(=O)CN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1=O ZINC001021436342 662368059 /nfs/dbraw/zinc/36/80/59/662368059.db2.gz CDIGOUJBULUAHY-YOGCLGLASA-N 1 1 324.381 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000970729923 662368548 /nfs/dbraw/zinc/36/85/48/662368548.db2.gz RGIDCKZRMGKJTI-SECBINFHSA-N 1 1 318.341 -1.359 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000970712794 662368595 /nfs/dbraw/zinc/36/85/95/662368595.db2.gz SHCRPFZIAVCKRL-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)nn1 ZINC001021469739 662369333 /nfs/dbraw/zinc/36/93/33/662369333.db2.gz JXTUZXNHTHUETI-FGWVZKOKSA-N 1 1 322.369 -1.519 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)C1 ZINC000970761627 662370177 /nfs/dbraw/zinc/37/01/77/662370177.db2.gz FJNUSASGDINGJN-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NCc3nnn(C)n3)C2)C1 ZINC000970761627 662370178 /nfs/dbraw/zinc/37/01/78/662370178.db2.gz FJNUSASGDINGJN-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC000970781719 662370434 /nfs/dbraw/zinc/37/04/34/662370434.db2.gz VQSTZUBDWQNXJS-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781719 662370437 /nfs/dbraw/zinc/37/04/37/662370437.db2.gz VQSTZUBDWQNXJS-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC000970781719 662370440 /nfs/dbraw/zinc/37/04/40/662370440.db2.gz VQSTZUBDWQNXJS-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000970784920 662370469 /nfs/dbraw/zinc/37/04/69/662370469.db2.gz VXDMCMKKVIEEHU-VWYCJHECSA-N 1 1 324.385 -1.625 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnnn2)C1 ZINC001021517145 662371542 /nfs/dbraw/zinc/37/15/42/662371542.db2.gz RFVKRRLFTGNMGC-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)C2)n(C)c1=O ZINC000970818544 662372114 /nfs/dbraw/zinc/37/21/14/662372114.db2.gz CZVPBSFKHGFLPE-SNVBAGLBSA-N 1 1 319.369 -1.143 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000970845431 662372896 /nfs/dbraw/zinc/37/28/96/662372896.db2.gz JCNIRRLKWONXTA-UWVGGRQHSA-N 1 1 321.381 -1.035 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970865783 662373644 /nfs/dbraw/zinc/37/36/44/662373644.db2.gz QPXRLYKJIRXXFF-HTQZYQBOSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC000970870440 662373701 /nfs/dbraw/zinc/37/37/01/662373701.db2.gz TWSGGIRWUZVOBH-QWRGUYRKSA-N 1 1 322.413 -1.003 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CN=NC2=O)C1 ZINC001021567102 662374080 /nfs/dbraw/zinc/37/40/80/662374080.db2.gz OSJXMBCGHRCOBJ-GHMZBOCLSA-N 1 1 322.369 -1.218 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CN=NC2=O)C1 ZINC001021567104 662374244 /nfs/dbraw/zinc/37/42/44/662374244.db2.gz OSJXMBCGHRCOBJ-MNOVXSKESA-N 1 1 322.369 -1.218 20 0 DAADMO Cn1cc(CCC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC000970883614 662374389 /nfs/dbraw/zinc/37/43/89/662374389.db2.gz NTAYILAIWHDGFI-SNVBAGLBSA-N 1 1 319.373 -1.338 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912336 662374736 /nfs/dbraw/zinc/37/47/36/662374736.db2.gz YKWQMYUINIMEMY-YPMHNXCESA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C2CN(CC(=O)NC)C2)C1 ZINC000970912336 662374737 /nfs/dbraw/zinc/37/47/37/662374737.db2.gz YKWQMYUINIMEMY-YPMHNXCESA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021587639 662375312 /nfs/dbraw/zinc/37/53/12/662375312.db2.gz MQKKCGDHTCQVJX-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001038200642 662376236 /nfs/dbraw/zinc/37/62/36/662376236.db2.gz DIEIAFQKZNXUOT-CYBMUJFWSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2CCN2CCNC2=O)C1 ZINC001038200642 662376241 /nfs/dbraw/zinc/37/62/41/662376241.db2.gz DIEIAFQKZNXUOT-CYBMUJFWSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)n2C)C1 ZINC000970940475 662376328 /nfs/dbraw/zinc/37/63/28/662376328.db2.gz DBTORPTZLVHWRP-ZJUUUORDSA-N 1 1 323.397 -1.092 20 0 DAADMO C[C@H](NC(=O)c1cn(C)c(=O)n1C)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC000970942453 662376362 /nfs/dbraw/zinc/37/63/62/662376362.db2.gz SKKOTQGAVQTPAL-GXSJLCMTSA-N 1 1 321.381 -1.338 20 0 DAADMO CN(C(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955088492 662376834 /nfs/dbraw/zinc/37/68/34/662376834.db2.gz KZYQMEQZNLIGBK-LLVKDONJSA-N 1 1 309.326 -1.317 20 0 DAADMO CN(C(=O)c1cnon1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955088492 662376835 /nfs/dbraw/zinc/37/68/35/662376835.db2.gz KZYQMEQZNLIGBK-LLVKDONJSA-N 1 1 309.326 -1.317 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]32)n1 ZINC001021647059 662377193 /nfs/dbraw/zinc/37/71/93/662377193.db2.gz VFOHQTWTWWHDBZ-ZJUUUORDSA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)n1 ZINC001021647059 662377194 /nfs/dbraw/zinc/37/71/94/662377194.db2.gz VFOHQTWTWWHDBZ-ZJUUUORDSA-N 1 1 307.358 -1.378 20 0 DAADMO NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC001021663084 662377278 /nfs/dbraw/zinc/37/72/78/662377278.db2.gz ZLWNZWDMSWISIS-NWDGAFQWSA-N 1 1 323.397 -1.190 20 0 DAADMO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661076 662377532 /nfs/dbraw/zinc/37/75/32/662377532.db2.gz JYONCJDRLXDXIF-ZJUUUORDSA-N 1 1 322.369 -1.593 20 0 DAADMO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C(N)=O)C2)nc1=O ZINC001021661076 662377535 /nfs/dbraw/zinc/37/75/35/662377535.db2.gz JYONCJDRLXDXIF-ZJUUUORDSA-N 1 1 322.369 -1.593 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662124 662377560 /nfs/dbraw/zinc/37/75/60/662377560.db2.gz UAUUYBQZUFWFAR-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662124 662377562 /nfs/dbraw/zinc/37/75/62/662377562.db2.gz UAUUYBQZUFWFAR-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021652217 662377606 /nfs/dbraw/zinc/37/76/06/662377606.db2.gz HUASULKEKJUTSO-KBPBESRZSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@H]32)n1 ZINC001021647056 662377615 /nfs/dbraw/zinc/37/76/15/662377615.db2.gz VFOHQTWTWWHDBZ-NXEZZACHSA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)n1 ZINC001021647056 662377616 /nfs/dbraw/zinc/37/76/16/662377616.db2.gz VFOHQTWTWWHDBZ-NXEZZACHSA-N 1 1 307.358 -1.378 20 0 DAADMO Cn1nnc(C(=O)N2CCC3(CC2)C[N@@H+](CCCO)CCO3)n1 ZINC000949443864 662377622 /nfs/dbraw/zinc/37/76/22/662377622.db2.gz AAGKWIJJGILKOE-UHFFFAOYSA-N 1 1 324.385 -1.101 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971048770 662377852 /nfs/dbraw/zinc/37/78/52/662377852.db2.gz PLTOIWPYSARCBF-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971046370 662378058 /nfs/dbraw/zinc/37/80/58/662378058.db2.gz QZRNIILTCSYSLS-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971046370 662378060 /nfs/dbraw/zinc/37/80/60/662378060.db2.gz QZRNIILTCSYSLS-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCC(=O)NC1=O ZINC000971044971 662378300 /nfs/dbraw/zinc/37/83/00/662378300.db2.gz KWDSALITEAZONX-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cnnn2)C1 ZINC001021698774 662378646 /nfs/dbraw/zinc/37/86/46/662378646.db2.gz DVYFXKWCYVBYSX-NEPJUHHUSA-N 1 1 321.385 -1.139 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cnnn2)C1 ZINC001021698777 662378728 /nfs/dbraw/zinc/37/87/28/662378728.db2.gz DVYFXKWCYVBYSX-RYUDHWBXSA-N 1 1 321.385 -1.139 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H](O)CC3(O)CCCC3)CCN21 ZINC000933093731 662380007 /nfs/dbraw/zinc/38/00/07/662380007.db2.gz PKQSTOPDPOWEDL-NEPJUHHUSA-N 1 1 319.427 -1.123 20 0 DAADMO O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)CC3(O)CCCC3)CCN21 ZINC000933093731 662380008 /nfs/dbraw/zinc/38/00/08/662380008.db2.gz PKQSTOPDPOWEDL-NEPJUHHUSA-N 1 1 319.427 -1.123 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239217 662380034 /nfs/dbraw/zinc/38/00/34/662380034.db2.gz NYSCCWBPXSAOJB-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239217 662380036 /nfs/dbraw/zinc/38/00/36/662380036.db2.gz NYSCCWBPXSAOJB-WDEREUQCSA-N 1 1 317.411 -1.171 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCN3[C@@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000933095505 662380276 /nfs/dbraw/zinc/38/02/76/662380276.db2.gz IHKYBLOCWUIANV-XQQFMLRXSA-N 1 1 318.443 -1.070 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCN3[C@@H](CNS3(=O)=O)C2)C[C@H](C)O1 ZINC000933095505 662380277 /nfs/dbraw/zinc/38/02/77/662380277.db2.gz IHKYBLOCWUIANV-XQQFMLRXSA-N 1 1 318.443 -1.070 20 0 DAADMO CN(Cc1nnnn1C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271073 662380370 /nfs/dbraw/zinc/38/03/70/662380370.db2.gz JWVVBHDQHUVFKT-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(Cc1nnnn1C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271073 662380376 /nfs/dbraw/zinc/38/03/76/662380376.db2.gz JWVVBHDQHUVFKT-RYUDHWBXSA-N 1 1 323.401 -1.427 20 0 DAADMO C[N@@H+](C[C@H](O)CN1CCN2[C@@H](CNS2(=O)=O)C1)C1CC1 ZINC000933102580 662380444 /nfs/dbraw/zinc/38/04/44/662380444.db2.gz ZUWIZBWDCIKYKI-RYUDHWBXSA-N 1 1 304.416 -1.724 20 0 DAADMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933102220 662380475 /nfs/dbraw/zinc/38/04/75/662380475.db2.gz XUJHYYMZLBXVKB-NEPJUHHUSA-N 1 1 306.432 -1.478 20 0 DAADMO O=C1OCCN1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933105808 662380504 /nfs/dbraw/zinc/38/05/04/662380504.db2.gz IVMRXKFFVFGGOR-SNVBAGLBSA-N 1 1 304.372 -1.337 20 0 DAADMO O=C1OCCN1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933105808 662380506 /nfs/dbraw/zinc/38/05/06/662380506.db2.gz IVMRXKFFVFGGOR-SNVBAGLBSA-N 1 1 304.372 -1.337 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001021816406 662380901 /nfs/dbraw/zinc/38/09/01/662380901.db2.gz MGVBYDURVXQZJX-DTORHVGOSA-N 1 1 321.345 -1.441 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001021816762 662380989 /nfs/dbraw/zinc/38/09/89/662380989.db2.gz RCGUKHJLQRPORO-DTORHVGOSA-N 1 1 322.329 -1.361 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@H]1CCNC1=O ZINC000971375577 662381250 /nfs/dbraw/zinc/38/12/50/662381250.db2.gz BONAJGGQJDCGDT-ZJUUUORDSA-N 1 1 308.342 -1.595 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)[C@@H]1CCCNC1=O ZINC000971375971 662381322 /nfs/dbraw/zinc/38/13/22/662381322.db2.gz FLZJLRGCRFHLDW-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1=O ZINC000971376531 662381357 /nfs/dbraw/zinc/38/13/57/662381357.db2.gz KZKXYDDIZAGZMA-GHMZBOCLSA-N 1 1 322.369 -1.253 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CN2CCOCC2)C1)[C@H]1CCNC1=O ZINC000971357042 662381360 /nfs/dbraw/zinc/38/13/60/662381360.db2.gz OPJDLCNCOKWWNE-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971376902 662381371 /nfs/dbraw/zinc/38/13/71/662381371.db2.gz QESALANDVFTNNG-NXEZZACHSA-N 1 1 310.358 -1.220 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001021899087 662382518 /nfs/dbraw/zinc/38/25/18/662382518.db2.gz IWHSOBSSUKGKCB-AXTSPUMRSA-N 1 1 307.358 -1.214 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452640 662383789 /nfs/dbraw/zinc/38/37/89/662383789.db2.gz SZISIHFLLLJKPE-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971452640 662383790 /nfs/dbraw/zinc/38/37/90/662383790.db2.gz SZISIHFLLLJKPE-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC001021990004 662383994 /nfs/dbraw/zinc/38/39/94/662383994.db2.gz HYOMFAXSPJUNEM-XHNCKOQMSA-N 1 1 321.345 -1.495 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2C[C@H](NC(=O)[C@@H]3COCCN3C)C2)n1 ZINC001021991701 662384359 /nfs/dbraw/zinc/38/43/59/662384359.db2.gz VVAMTQGAYPRZKM-LOWVWBTDSA-N 1 1 308.386 -1.118 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001022048275 662384832 /nfs/dbraw/zinc/38/48/32/662384832.db2.gz LTATYYGKPWUTBU-DTORHVGOSA-N 1 1 305.346 -1.128 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971566826 662385140 /nfs/dbraw/zinc/38/51/40/662385140.db2.gz JYVQKYBSYPUHDK-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011026372 662385147 /nfs/dbraw/zinc/38/51/47/662385147.db2.gz XYKVXRZUONQBAP-KBPBESRZSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971562240 662385392 /nfs/dbraw/zinc/38/53/92/662385392.db2.gz DQRCAOJLMPMTQW-QMMMGPOBSA-N 1 1 309.330 -2.605 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000971562240 662385393 /nfs/dbraw/zinc/38/53/93/662385393.db2.gz DQRCAOJLMPMTQW-QMMMGPOBSA-N 1 1 309.330 -2.605 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001022083746 662385585 /nfs/dbraw/zinc/38/55/85/662385585.db2.gz YVIQXRAPCLJVSC-DTORHVGOSA-N 1 1 321.345 -1.441 20 0 DAADMO COCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001022083155 662385804 /nfs/dbraw/zinc/38/58/04/662385804.db2.gz MGKAJBHLYPPXRY-DTORHVGOSA-N 1 1 322.329 -1.361 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCCC1=O)[C@H]1COC(=O)N1 ZINC001038214796 662386350 /nfs/dbraw/zinc/38/63/50/662386350.db2.gz SIIVIJVAEIOGPD-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCCC1=O)[C@H]1COC(=O)N1 ZINC001038214796 662386351 /nfs/dbraw/zinc/38/63/51/662386351.db2.gz SIIVIJVAEIOGPD-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO Cn1nnnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137917 662386740 /nfs/dbraw/zinc/38/67/40/662386740.db2.gz SQISYBKHQOGMTQ-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnnc1CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137917 662386744 /nfs/dbraw/zinc/38/67/44/662386744.db2.gz SQISYBKHQOGMTQ-WDEREUQCSA-N 1 1 309.374 -1.769 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CSCC(=O)N1)[C@H]1C[N@@H+](C)CCN1C ZINC000933385549 662386802 /nfs/dbraw/zinc/38/68/02/662386802.db2.gz FIUKAYLLOQGWQD-GARJFASQSA-N 1 1 300.428 -1.032 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)n1 ZINC001022106768 662386841 /nfs/dbraw/zinc/38/68/41/662386841.db2.gz NJAVGPCBOWOYAC-AOOOYVTPSA-N 1 1 319.325 -1.198 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633014 662387102 /nfs/dbraw/zinc/38/71/02/662387102.db2.gz LFUODMCGOJOFLH-ZJUUUORDSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC000971633014 662387105 /nfs/dbraw/zinc/38/71/05/662387105.db2.gz LFUODMCGOJOFLH-ZJUUUORDSA-N 1 1 310.354 -1.458 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[N@H+]1CCO ZINC000947460152 662387121 /nfs/dbraw/zinc/38/71/21/662387121.db2.gz RLZWCHKMKAPEJR-CHWSQXEVSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC[N@@H+](C)CC1 ZINC000888978966 662387211 /nfs/dbraw/zinc/38/72/11/662387211.db2.gz AWRNKLLXPYHEDK-UHFFFAOYSA-N 1 1 318.443 -1.416 20 0 DAADMO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)nn1 ZINC001022133490 662387290 /nfs/dbraw/zinc/38/72/90/662387290.db2.gz DVJKZFQKJVKJAI-AOOOYVTPSA-N 1 1 313.383 -1.404 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000971643779 662387514 /nfs/dbraw/zinc/38/75/14/662387514.db2.gz ZUNFZLKIIWEDQU-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)c1=O ZINC000971641939 662387553 /nfs/dbraw/zinc/38/75/53/662387553.db2.gz QYCIRBWXIIQXAS-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000971651783 662387649 /nfs/dbraw/zinc/38/76/49/662387649.db2.gz DLXUOSWTDKRUBU-MXWKQRLJSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000971651783 662387652 /nfs/dbraw/zinc/38/76/52/662387652.db2.gz DLXUOSWTDKRUBU-MXWKQRLJSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000971651781 662387828 /nfs/dbraw/zinc/38/78/28/662387828.db2.gz DLXUOSWTDKRUBU-GMTAPVOTSA-N 1 1 310.354 -2.138 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000971651781 662387830 /nfs/dbraw/zinc/38/78/30/662387830.db2.gz DLXUOSWTDKRUBU-GMTAPVOTSA-N 1 1 310.354 -2.138 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001022191443 662388041 /nfs/dbraw/zinc/38/80/41/662388041.db2.gz MTDNMGPOGNHGQC-BBBLOLIVSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001038138342 662388068 /nfs/dbraw/zinc/38/80/68/662388068.db2.gz VKKLROXYPNDJEY-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001038138342 662388069 /nfs/dbraw/zinc/38/80/69/662388069.db2.gz VKKLROXYPNDJEY-QWRGUYRKSA-N 1 1 309.374 -1.769 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000971659753 662388098 /nfs/dbraw/zinc/38/80/98/662388098.db2.gz OFVRDKVAIYONOG-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000971659753 662388100 /nfs/dbraw/zinc/38/81/00/662388100.db2.gz OFVRDKVAIYONOG-UTUOFQBUSA-N 1 1 324.381 -1.748 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001022175017 662388248 /nfs/dbraw/zinc/38/82/48/662388248.db2.gz NHYQTFZJQWHMDX-WDEREUQCSA-N 1 1 305.338 -1.264 20 0 DAADMO Cn1nnc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001038138339 662388274 /nfs/dbraw/zinc/38/82/74/662388274.db2.gz VKKLROXYPNDJEY-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cn1nnc(CN2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001038138339 662388275 /nfs/dbraw/zinc/38/82/75/662388275.db2.gz VKKLROXYPNDJEY-GHMZBOCLSA-N 1 1 309.374 -1.769 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCOCC3=O)C2)n1 ZINC001022207226 662388362 /nfs/dbraw/zinc/38/83/62/662388362.db2.gz KKRPHXKZYFWDLB-PHIMTYICSA-N 1 1 323.353 -1.026 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)[C@@H]1CCNC1=O ZINC000971689496 662388546 /nfs/dbraw/zinc/38/85/46/662388546.db2.gz JRAAMVIEPFUOSN-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO CN(CC(N)=O)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971679802 662388748 /nfs/dbraw/zinc/38/87/48/662388748.db2.gz VJCZLZRDQADRED-CHWSQXEVSA-N 1 1 322.413 -1.169 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001022244815 662388992 /nfs/dbraw/zinc/38/89/92/662388992.db2.gz IBCIGUZORABNRC-DTORHVGOSA-N 1 1 304.314 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC000947463321 662389036 /nfs/dbraw/zinc/38/90/36/662389036.db2.gz FKNPJDIKXUVGAR-WDEREUQCSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC000971709824 662389138 /nfs/dbraw/zinc/38/91/38/662389138.db2.gz NHDZABLUNSOKCH-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC000971725548 662389159 /nfs/dbraw/zinc/38/91/59/662389159.db2.gz IIELDIWKVJHMOC-ZJUUUORDSA-N 1 1 324.381 -1.164 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)c1=O ZINC001022330917 662390290 /nfs/dbraw/zinc/39/02/90/662390290.db2.gz FHDNJXKLQGUNSS-DTORHVGOSA-N 1 1 307.314 -1.598 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038224785 662390300 /nfs/dbraw/zinc/39/03/00/662390300.db2.gz DDDBXZNUKHMJDM-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038224785 662390302 /nfs/dbraw/zinc/39/03/02/662390302.db2.gz DDDBXZNUKHMJDM-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)c1=O ZINC001022331426 662390333 /nfs/dbraw/zinc/39/03/33/662390333.db2.gz KJSFBKXUNVUNJJ-AOOOYVTPSA-N 1 1 320.357 -1.853 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001038224272 662390401 /nfs/dbraw/zinc/39/04/01/662390401.db2.gz VOOJMOTWLUNVSC-NXEZZACHSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1COC(=O)N1 ZINC001038224272 662390403 /nfs/dbraw/zinc/39/04/03/662390403.db2.gz VOOJMOTWLUNVSC-NXEZZACHSA-N 1 1 324.337 -1.566 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)C2)o1 ZINC001022333275 662390496 /nfs/dbraw/zinc/39/04/96/662390496.db2.gz PLMLHKDXGZCPPC-AOOOYVTPSA-N 1 1 321.341 -1.290 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001022335337 662390689 /nfs/dbraw/zinc/39/06/89/662390689.db2.gz CRGGMFBNJGHDND-GRYCIOLGSA-N 1 1 323.401 -1.332 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001022352564 662391224 /nfs/dbraw/zinc/39/12/24/662391224.db2.gz VOTGXZJMIHPRON-AOOOYVTPSA-N 1 1 308.342 -1.486 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000971822199 662391368 /nfs/dbraw/zinc/39/13/68/662391368.db2.gz SQEPLTBLXOPQOP-VHSXEESVSA-N 1 1 310.358 -2.012 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC000933797958 662392008 /nfs/dbraw/zinc/39/20/08/662392008.db2.gz JNYSFHGFIKJJIH-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849731 662392152 /nfs/dbraw/zinc/39/21/52/662392152.db2.gz BIFHJXAILVVACD-VIFPVBQESA-N 1 1 321.341 -1.497 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCCNC2=O)C1)[C@H]1CCNC1=O ZINC000971857383 662392196 /nfs/dbraw/zinc/39/21/96/662392196.db2.gz AUEBVPJMAJLMJP-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849622 662392236 /nfs/dbraw/zinc/39/22/36/662392236.db2.gz ZOKBZRDGCXRDTK-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849622 662392240 /nfs/dbraw/zinc/39/22/40/662392240.db2.gz ZOKBZRDGCXRDTK-NSHDSACASA-N 1 1 322.369 -1.190 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001022408816 662392321 /nfs/dbraw/zinc/39/23/21/662392321.db2.gz MFHDXJUJYUIRAT-AOOOYVTPSA-N 1 1 317.353 -1.041 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N[C@@]2(C)CCNC2=O)CC1 ZINC000891879469 662392333 /nfs/dbraw/zinc/39/23/33/662392333.db2.gz SEQHOZXCMPQOOM-AWEZNQCLSA-N 1 1 311.386 -1.272 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000933872454 662392553 /nfs/dbraw/zinc/39/25/53/662392553.db2.gz VLXAIRRBSWIBLP-UHFFFAOYSA-N 1 1 323.397 -1.049 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971888298 662393203 /nfs/dbraw/zinc/39/32/03/662393203.db2.gz TYWJYYVASWWRPI-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000971888298 662393204 /nfs/dbraw/zinc/39/32/04/662393204.db2.gz TYWJYYVASWWRPI-SNVBAGLBSA-N 1 1 310.354 -1.457 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001022530796 662394285 /nfs/dbraw/zinc/39/42/85/662394285.db2.gz DPNZYWOLVDPDOK-AXFHLTTASA-N 1 1 321.385 -1.042 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022538273 662394463 /nfs/dbraw/zinc/39/44/63/662394463.db2.gz WYSYMFQJSWCEPU-AOOOYVTPSA-N 1 1 324.410 -1.293 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022537295 662394526 /nfs/dbraw/zinc/39/45/26/662394526.db2.gz IOJVJTIHJFDFQD-AOOOYVTPSA-N 1 1 324.410 -1.293 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCNC(=O)C3)C2)n1 ZINC001022536774 662394537 /nfs/dbraw/zinc/39/45/37/662394537.db2.gz AOZMESXIQZSLJN-PHIMTYICSA-N 1 1 321.385 -2.016 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC000971918948 662395132 /nfs/dbraw/zinc/39/51/32/662395132.db2.gz CYSQAOMDJFSNMW-MRVPVSSYSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC000971918948 662395134 /nfs/dbraw/zinc/39/51/34/662395134.db2.gz CYSQAOMDJFSNMW-MRVPVSSYSA-N 1 1 303.326 -1.016 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000971933422 662395552 /nfs/dbraw/zinc/39/55/52/662395552.db2.gz JDZPVLDRTXYYAV-JTQLQIEISA-N 1 1 303.326 -1.244 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000971933422 662395554 /nfs/dbraw/zinc/39/55/54/662395554.db2.gz JDZPVLDRTXYYAV-JTQLQIEISA-N 1 1 303.326 -1.244 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC000971965126 662396694 /nfs/dbraw/zinc/39/66/94/662396694.db2.gz BNNFXBYDCWIYLX-ZJUUUORDSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000971996107 662397083 /nfs/dbraw/zinc/39/70/83/662397083.db2.gz MYPICTUZTXDJET-PWSUYJOCSA-N 1 1 307.354 -1.110 20 0 DAADMO CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971999017 662397551 /nfs/dbraw/zinc/39/75/51/662397551.db2.gz YKMSHMQEABBHDW-MNOVXSKESA-N 1 1 317.411 -1.158 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC000972002391 662397640 /nfs/dbraw/zinc/39/76/40/662397640.db2.gz QVTWSBHSQVBVOV-NEPJUHHUSA-N 1 1 311.386 -1.115 20 0 DAADMO C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971997229 662397659 /nfs/dbraw/zinc/39/76/59/662397659.db2.gz JWVXXMRVDFJXFT-ZJUUUORDSA-N 1 1 319.383 -2.575 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000971997229 662397660 /nfs/dbraw/zinc/39/76/60/662397660.db2.gz JWVXXMRVDFJXFT-ZJUUUORDSA-N 1 1 319.383 -2.575 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022629818 662398049 /nfs/dbraw/zinc/39/80/49/662398049.db2.gz IFFHDFTYVYDOEI-AEJSXWLSSA-N 1 1 322.373 -1.328 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001022615903 662398326 /nfs/dbraw/zinc/39/83/26/662398326.db2.gz PAMMNLXQSVCHSO-DTORHVGOSA-N 1 1 303.326 -1.051 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1)c1nnnn1C ZINC001022615313 662398454 /nfs/dbraw/zinc/39/84/54/662398454.db2.gz GKDGLHJTTZJQKF-HLTSFMKQSA-N 1 1 318.341 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000972076384 662399208 /nfs/dbraw/zinc/39/92/08/662399208.db2.gz SCQRARXEIARBIS-WDEREUQCSA-N 1 1 311.386 -2.175 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001022662586 662399238 /nfs/dbraw/zinc/39/92/38/662399238.db2.gz XMHKHUDVPWFSAG-RWEMILLDSA-N 1 1 307.358 -1.384 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)c1[nH]ncc1F ZINC001022667315 662399336 /nfs/dbraw/zinc/39/93/36/662399336.db2.gz YIYMATHUTVSMFK-OCAPTIKFSA-N 1 1 324.316 -1.049 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972080902 662399829 /nfs/dbraw/zinc/39/98/29/662399829.db2.gz XAAUTGQJIOTEAG-VXGBXAGGSA-N 1 1 306.370 -1.053 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088867 662400340 /nfs/dbraw/zinc/40/03/40/662400340.db2.gz ZEYAHSSRZHPCRL-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088867 662400344 /nfs/dbraw/zinc/40/03/44/662400344.db2.gz ZEYAHSSRZHPCRL-RYUDHWBXSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)n1 ZINC000972110745 662400355 /nfs/dbraw/zinc/40/03/55/662400355.db2.gz ALFWERMKTOMODA-SNVBAGLBSA-N 1 1 307.358 -1.411 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)n1 ZINC000972110745 662400360 /nfs/dbraw/zinc/40/03/60/662400360.db2.gz ALFWERMKTOMODA-SNVBAGLBSA-N 1 1 307.358 -1.411 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCCC3=O)C2)n1 ZINC000972111758 662400402 /nfs/dbraw/zinc/40/04/02/662400402.db2.gz IMQYOKSZXJPHFB-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001022701059 662400456 /nfs/dbraw/zinc/40/04/56/662400456.db2.gz KVDPFTREGGRGPZ-VYUIOLGVSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000972114132 662400659 /nfs/dbraw/zinc/40/06/59/662400659.db2.gz BXUVGZZNVASBRF-JTQLQIEISA-N 1 1 322.373 -1.618 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088868 662400800 /nfs/dbraw/zinc/40/08/00/662400800.db2.gz ZEYAHSSRZHPCRL-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)NC1=O ZINC000972088868 662400806 /nfs/dbraw/zinc/40/08/06/662400806.db2.gz ZEYAHSSRZHPCRL-VXGBXAGGSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)n1 ZINC000972117421 662401127 /nfs/dbraw/zinc/40/11/27/662401127.db2.gz UZZPEIGWIFHXSG-RKDXNWHRSA-N 1 1 321.341 -1.838 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)n1 ZINC000972117142 662401392 /nfs/dbraw/zinc/40/13/92/662401392.db2.gz SCNJZFXKBKLGKG-JTQLQIEISA-N 1 1 305.346 -1.352 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000972187685 662402344 /nfs/dbraw/zinc/40/23/44/662402344.db2.gz WTDCIKNJIUXZDH-SECBINFHSA-N 1 1 308.338 -1.061 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000972187685 662402346 /nfs/dbraw/zinc/40/23/46/662402346.db2.gz WTDCIKNJIUXZDH-SECBINFHSA-N 1 1 308.338 -1.061 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000972187896 662402748 /nfs/dbraw/zinc/40/27/48/662402748.db2.gz ZHPNFMGIKDSDJI-SECBINFHSA-N 1 1 317.353 -1.005 20 0 DAADMO Cn1nnc2c1nccc2C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000972187896 662402752 /nfs/dbraw/zinc/40/27/52/662402752.db2.gz ZHPNFMGIKDSDJI-SECBINFHSA-N 1 1 317.353 -1.005 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)[C@H]1CCNC1=O ZINC000972193081 662402799 /nfs/dbraw/zinc/40/27/99/662402799.db2.gz PBCUESDNUKTJMP-KOLCDFICSA-N 1 1 305.338 -1.195 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972197634 662403101 /nfs/dbraw/zinc/40/31/01/662403101.db2.gz DTPXBOGJNWPAOZ-WDEREUQCSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1)[C@H]1CCC(=O)N1 ZINC001022745171 662403128 /nfs/dbraw/zinc/40/31/28/662403128.db2.gz OCZPGPSONXWMFT-UKKRHICBSA-N 1 1 321.385 -1.138 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972198646 662403205 /nfs/dbraw/zinc/40/32/05/662403205.db2.gz IMOIYWMRMPDCMG-WDEREUQCSA-N 1 1 324.385 -1.774 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198631 662403215 /nfs/dbraw/zinc/40/32/15/662403215.db2.gz IKIYMAVNLTYRIF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972198631 662403217 /nfs/dbraw/zinc/40/32/17/662403217.db2.gz IKIYMAVNLTYRIF-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205601 662403355 /nfs/dbraw/zinc/40/33/55/662403355.db2.gz DYKUCUXWWIOQRV-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972205601 662403357 /nfs/dbraw/zinc/40/33/57/662403357.db2.gz DYKUCUXWWIOQRV-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205595 662403675 /nfs/dbraw/zinc/40/36/75/662403675.db2.gz DYKUCUXWWIOQRV-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972205595 662403676 /nfs/dbraw/zinc/40/36/76/662403676.db2.gz DYKUCUXWWIOQRV-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000972243365 662403926 /nfs/dbraw/zinc/40/39/26/662403926.db2.gz SKLGIPBAPWXIHY-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1c(C[N@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC000972225176 662404230 /nfs/dbraw/zinc/40/42/30/662404230.db2.gz XEHBWHDEFWBTFV-SECBINFHSA-N 1 1 323.353 -2.398 20 0 DAADMO Cn1c(C[N@@H+](C)[C@@H]2CCN(C(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC000972225176 662404234 /nfs/dbraw/zinc/40/42/34/662404234.db2.gz XEHBWHDEFWBTFV-SECBINFHSA-N 1 1 323.353 -2.398 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@H]1CCC(=O)NC1=O ZINC000972223739 662404485 /nfs/dbraw/zinc/40/44/85/662404485.db2.gz HTOGJXYHLBDKEB-UWVGGRQHSA-N 1 1 322.365 -1.410 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972272045 662405642 /nfs/dbraw/zinc/40/56/42/662405642.db2.gz BHVULXFCDVQIFZ-OCCSQVGLSA-N 1 1 300.355 -1.303 20 0 DAADMO O=C([C@H]1COCCO1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972272045 662405649 /nfs/dbraw/zinc/40/56/49/662405649.db2.gz BHVULXFCDVQIFZ-OCCSQVGLSA-N 1 1 300.355 -1.303 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC000972254823 662405937 /nfs/dbraw/zinc/40/59/37/662405937.db2.gz LKCGJBWUZPJQLR-GHMZBOCLSA-N 1 1 305.338 -1.264 20 0 DAADMO O=C(CCn1cncn1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972262411 662405982 /nfs/dbraw/zinc/40/59/82/662405982.db2.gz WOYQOGNLCVBYDL-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(CCn1cncn1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972262411 662405983 /nfs/dbraw/zinc/40/59/83/662405983.db2.gz WOYQOGNLCVBYDL-AWEZNQCLSA-N 1 1 309.370 -1.036 20 0 DAADMO Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001022782429 662406632 /nfs/dbraw/zinc/40/66/32/662406632.db2.gz AYXQEPFLQYNZJK-YIZRAAEISA-N 1 1 322.325 -1.287 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@H](O)CN2C)CC[C@@H]1C[NH3+] ZINC000926417610 662407738 /nfs/dbraw/zinc/40/77/38/662407738.db2.gz HFWHSLPLYDMKIE-NDBYEHHHSA-N 1 1 312.414 -1.389 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2C)CC[C@@H]1C[NH3+] ZINC000926417593 662407788 /nfs/dbraw/zinc/40/77/88/662407788.db2.gz HFWHSLPLYDMKIE-FVCCEPFGSA-N 1 1 312.414 -1.389 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972339268 662407998 /nfs/dbraw/zinc/40/79/98/662407998.db2.gz OKZPLTYJGWWCHY-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCNC(=O)C1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972339268 662407999 /nfs/dbraw/zinc/40/79/99/662407999.db2.gz OKZPLTYJGWWCHY-WFASDCNBSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972358032 662408288 /nfs/dbraw/zinc/40/82/88/662408288.db2.gz PDYBVTHSRRASHK-SMDDNHRTSA-N 1 1 313.354 -1.220 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972358032 662408290 /nfs/dbraw/zinc/40/82/90/662408290.db2.gz PDYBVTHSRRASHK-SMDDNHRTSA-N 1 1 313.354 -1.220 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011176592 662408608 /nfs/dbraw/zinc/40/86/08/662408608.db2.gz JRVRPVUHGKBNHN-NWDGAFQWSA-N 1 1 321.385 -1.458 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@]3(C2)C[N@H+](CCO)CCO3)c1N ZINC000972355158 662408716 /nfs/dbraw/zinc/40/87/16/662408716.db2.gz JSJXUIPAUSMPSN-CQSZACIVSA-N 1 1 309.370 -1.089 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@]3(C2)C[N@@H+](CCO)CCO3)c1N ZINC000972355158 662408717 /nfs/dbraw/zinc/40/87/17/662408717.db2.gz JSJXUIPAUSMPSN-CQSZACIVSA-N 1 1 309.370 -1.089 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381626 662409040 /nfs/dbraw/zinc/40/90/40/662409040.db2.gz SKOCFNIBQLCAAP-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000972381626 662409042 /nfs/dbraw/zinc/40/90/42/662409042.db2.gz SKOCFNIBQLCAAP-AAEUAGOBSA-N 1 1 310.358 -1.643 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ncnn2)CC1 ZINC001011177265 662409338 /nfs/dbraw/zinc/40/93/38/662409338.db2.gz YHDJGZLANGGCKG-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001022844366 662409728 /nfs/dbraw/zinc/40/97/28/662409728.db2.gz ZSPABJUTJXGHFJ-BBBLOLIVSA-N 1 1 307.358 -1.384 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972385062 662410033 /nfs/dbraw/zinc/41/00/33/662410033.db2.gz TXCOFJNNIJPCQS-MNOVXSKESA-N 1 1 321.385 -1.356 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000972385062 662410034 /nfs/dbraw/zinc/41/00/34/662410034.db2.gz TXCOFJNNIJPCQS-MNOVXSKESA-N 1 1 321.385 -1.356 20 0 DAADMO CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1O ZINC001022851750 662410797 /nfs/dbraw/zinc/41/07/97/662410797.db2.gz HJHLSSJYTYDABW-YGFYLSKRSA-N 1 1 309.366 -1.443 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC000947512770 662411237 /nfs/dbraw/zinc/41/12/37/662411237.db2.gz YIJSNQZPKYMMRX-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC000947512772 662411203 /nfs/dbraw/zinc/41/12/03/662411203.db2.gz YIJSNQZPKYMMRX-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022855110 662411206 /nfs/dbraw/zinc/41/12/06/662411206.db2.gz CZUQYQVZSKCBQH-HLTSFMKQSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022855110 662411207 /nfs/dbraw/zinc/41/12/07/662411207.db2.gz CZUQYQVZSKCBQH-HLTSFMKQSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022855111 662411331 /nfs/dbraw/zinc/41/13/31/662411331.db2.gz CZUQYQVZSKCBQH-IWSPIJDZSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)C1 ZINC001022855111 662411333 /nfs/dbraw/zinc/41/13/33/662411333.db2.gz CZUQYQVZSKCBQH-IWSPIJDZSA-N 1 1 307.297 -1.730 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001022862124 662412220 /nfs/dbraw/zinc/41/22/20/662412220.db2.gz VQHIVKAVNYSFRK-OCAPTIKFSA-N 1 1 324.366 -1.173 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1ncn[nH]1 ZINC001022867751 662412990 /nfs/dbraw/zinc/41/29/90/662412990.db2.gz CZZNFDSMODLQMQ-DTORHVGOSA-N 1 1 306.326 -1.196 20 0 DAADMO O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)c1nc[nH]n1 ZINC001022867751 662412995 /nfs/dbraw/zinc/41/29/95/662412995.db2.gz CZZNFDSMODLQMQ-DTORHVGOSA-N 1 1 306.326 -1.196 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395007 662413403 /nfs/dbraw/zinc/41/34/03/662413403.db2.gz VOMMGMMIXLKXTP-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395007 662413409 /nfs/dbraw/zinc/41/34/09/662413409.db2.gz VOMMGMMIXLKXTP-TZMCWYRMSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395004 662413631 /nfs/dbraw/zinc/41/36/31/662413631.db2.gz VOMMGMMIXLKXTP-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395004 662413632 /nfs/dbraw/zinc/41/36/32/662413632.db2.gz VOMMGMMIXLKXTP-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)CCO1 ZINC001022867941 662413654 /nfs/dbraw/zinc/41/36/54/662413654.db2.gz LBCMAFQPBVHRDN-MXWKQRLJSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)CCO1 ZINC001022867941 662413656 /nfs/dbraw/zinc/41/36/56/662413656.db2.gz LBCMAFQPBVHRDN-MXWKQRLJSA-N 1 1 322.369 -1.098 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395005 662414062 /nfs/dbraw/zinc/41/40/62/662414062.db2.gz VOMMGMMIXLKXTP-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 ZINC000972395005 662414066 /nfs/dbraw/zinc/41/40/66/662414066.db2.gz VOMMGMMIXLKXTP-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972399607 662414353 /nfs/dbraw/zinc/41/43/53/662414353.db2.gz MRYSHOKKUSQYQB-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972399607 662414354 /nfs/dbraw/zinc/41/43/54/662414354.db2.gz MRYSHOKKUSQYQB-CQSZACIVSA-N 1 1 309.370 -1.036 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972404551 662414405 /nfs/dbraw/zinc/41/44/05/662414405.db2.gz GNBRBLKPTIVTKJ-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972404551 662414413 /nfs/dbraw/zinc/41/44/13/662414413.db2.gz GNBRBLKPTIVTKJ-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972404547 662414691 /nfs/dbraw/zinc/41/46/91/662414691.db2.gz GNBRBLKPTIVTKJ-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972404547 662414692 /nfs/dbraw/zinc/41/46/92/662414692.db2.gz GNBRBLKPTIVTKJ-DOMZBBRYSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1 ZINC001022882955 662415097 /nfs/dbraw/zinc/41/50/97/662415097.db2.gz KNPLHYWYXHUAEP-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC3)C2)C1 ZINC001022882955 662415101 /nfs/dbraw/zinc/41/51/01/662415101.db2.gz KNPLHYWYXHUAEP-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972419783 662415423 /nfs/dbraw/zinc/41/54/23/662415423.db2.gz JEDCVDPHWKZSJY-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972419783 662415427 /nfs/dbraw/zinc/41/54/27/662415427.db2.gz JEDCVDPHWKZSJY-SWLSCSKDSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC000972472432 662417917 /nfs/dbraw/zinc/41/79/17/662417917.db2.gz NVSKKTZGQDCHEM-LLVKDONJSA-N 1 1 320.353 -1.584 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)n(C)c1=O ZINC000972472266 662418435 /nfs/dbraw/zinc/41/84/35/662418435.db2.gz MJJHJPSGTDSLQV-SECBINFHSA-N 1 1 323.353 -2.284 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)n(C)c1=O ZINC000972472266 662418442 /nfs/dbraw/zinc/41/84/42/662418442.db2.gz MJJHJPSGTDSLQV-SECBINFHSA-N 1 1 323.353 -2.284 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1=O ZINC000972471766 662418626 /nfs/dbraw/zinc/41/86/26/662418626.db2.gz HLBQVLFQEMOZNI-SECBINFHSA-N 1 1 312.326 -2.068 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)c(=O)n(C)c1=O ZINC000972472267 662418741 /nfs/dbraw/zinc/41/87/41/662418741.db2.gz MJJHJPSGTDSLQV-VIFPVBQESA-N 1 1 323.353 -2.284 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)c(=O)n(C)c1=O ZINC000972472267 662418743 /nfs/dbraw/zinc/41/87/43/662418743.db2.gz MJJHJPSGTDSLQV-VIFPVBQESA-N 1 1 323.353 -2.284 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480020 662419392 /nfs/dbraw/zinc/41/93/92/662419392.db2.gz GHPCCRMVQLGPJH-GJZGRUSLSA-N 1 1 311.382 -1.192 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCO)CCO3)CNC(=O)C1 ZINC000972480020 662419397 /nfs/dbraw/zinc/41/93/97/662419397.db2.gz GHPCCRMVQLGPJH-GJZGRUSLSA-N 1 1 311.382 -1.192 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnccn2)C1 ZINC001022950149 662419430 /nfs/dbraw/zinc/41/94/30/662419430.db2.gz MLYIRPYBZSTITG-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022953064 662420380 /nfs/dbraw/zinc/42/03/80/662420380.db2.gz FRPAKMYUKMQNHQ-PHIMTYICSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022956184 662420525 /nfs/dbraw/zinc/42/05/25/662420525.db2.gz UWLHDDHALXPTPC-AOOOYVTPSA-N 1 1 307.358 -1.391 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022956173 662420569 /nfs/dbraw/zinc/42/05/69/662420569.db2.gz UGQOTRAGNHGUPM-YIZRAAEISA-N 1 1 306.326 -1.611 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022956956 662420608 /nfs/dbraw/zinc/42/06/08/662420608.db2.gz HOIJXVPUGAXZGN-AOOOYVTPSA-N 1 1 320.353 -1.267 20 0 DAADMO CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000972496779 662424574 /nfs/dbraw/zinc/42/45/74/662424574.db2.gz JSZWUJWNSZPXQP-OAHLLOKOSA-N 1 1 310.398 -1.259 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1 ZINC001023040719 662425291 /nfs/dbraw/zinc/42/52/91/662425291.db2.gz JXPJICACTRUFQU-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)C1 ZINC001023040719 662425293 /nfs/dbraw/zinc/42/52/93/662425293.db2.gz JXPJICACTRUFQU-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1 ZINC001023052819 662425846 /nfs/dbraw/zinc/42/58/46/662425846.db2.gz WJVFFAMFRWIYRB-JHJVBQTASA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccoc3)C2)C1 ZINC001023052819 662425850 /nfs/dbraw/zinc/42/58/50/662425850.db2.gz WJVFFAMFRWIYRB-JHJVBQTASA-N 1 1 323.349 -1.088 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001023064160 662426773 /nfs/dbraw/zinc/42/67/73/662426773.db2.gz DDAWAAHDSJGDGE-OCAPTIKFSA-N 1 1 322.329 -2.501 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)CNC3=O)C2)n1 ZINC001023064343 662427167 /nfs/dbraw/zinc/42/71/67/662427167.db2.gz IDTRNHBHHBIHLV-DTORHVGOSA-N 1 1 321.341 -1.896 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)C1 ZINC001023061609 662427376 /nfs/dbraw/zinc/42/73/76/662427376.db2.gz NXSIWJCDOHYLRH-YNEHKIRRSA-N 1 1 321.381 -1.477 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507357 662427699 /nfs/dbraw/zinc/42/76/99/662427699.db2.gz YYGGEUJLSXGDLT-GWCFXTLKSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C)n3)C2)C1 ZINC000972507357 662427701 /nfs/dbraw/zinc/42/77/01/662427701.db2.gz YYGGEUJLSXGDLT-GWCFXTLKSA-N 1 1 310.358 -1.492 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001023068773 662427709 /nfs/dbraw/zinc/42/77/09/662427709.db2.gz KMLXSMXNQHRECO-AOOOYVTPSA-N 1 1 320.353 -1.299 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254239 662427982 /nfs/dbraw/zinc/42/79/82/662427982.db2.gz ICVROAKWUQDAFP-WDEREUQCSA-N 1 1 307.354 -1.055 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001038254239 662427985 /nfs/dbraw/zinc/42/79/85/662427985.db2.gz ICVROAKWUQDAFP-WDEREUQCSA-N 1 1 307.354 -1.055 20 0 DAADMO O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000091673350 662428379 /nfs/dbraw/zinc/42/83/79/662428379.db2.gz BADQYKHLYJPWOK-RYUDHWBXSA-N 1 1 304.416 -1.411 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001023102087 662430264 /nfs/dbraw/zinc/43/02/64/662430264.db2.gz BWPVNLUIGNUHNZ-VXGBXAGGSA-N 1 1 318.337 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023109486 662431260 /nfs/dbraw/zinc/43/12/60/662431260.db2.gz NGNRYBHAVMRYGH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023109486 662431263 /nfs/dbraw/zinc/43/12/63/662431263.db2.gz NGNRYBHAVMRYGH-IJLUTSLNSA-N 1 1 323.353 -1.958 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023115505 662431436 /nfs/dbraw/zinc/43/14/36/662431436.db2.gz NFZZQRFRLJHZOF-OUAUKWLOSA-N 1 1 324.385 -1.032 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001023115505 662431438 /nfs/dbraw/zinc/43/14/38/662431438.db2.gz NFZZQRFRLJHZOF-OUAUKWLOSA-N 1 1 324.385 -1.032 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936911281 662431715 /nfs/dbraw/zinc/43/17/15/662431715.db2.gz LUCKZOBVVFFQCW-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)C1 ZINC001023118506 662431762 /nfs/dbraw/zinc/43/17/62/662431762.db2.gz FPIJMJIRWTYNKA-MVWJERBFSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023125296 662432302 /nfs/dbraw/zinc/43/23/02/662432302.db2.gz VXFRPQKTPFSVPA-IJLUTSLNSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023125296 662432305 /nfs/dbraw/zinc/43/23/05/662432305.db2.gz VXFRPQKTPFSVPA-IJLUTSLNSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023125297 662432464 /nfs/dbraw/zinc/43/24/64/662432464.db2.gz VXFRPQKTPFSVPA-UTUOFQBUSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023125297 662432466 /nfs/dbraw/zinc/43/24/66/662432466.db2.gz VXFRPQKTPFSVPA-UTUOFQBUSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)C1 ZINC001023136718 662432735 /nfs/dbraw/zinc/43/27/35/662432735.db2.gz FALXSOFHPFZTRI-MVWJERBFSA-N 1 1 308.338 -1.072 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2O)[nH]n1 ZINC001023144097 662434206 /nfs/dbraw/zinc/43/42/06/662434206.db2.gz FOHBFBXROXCDSC-RAIGVLPGSA-N 1 1 321.381 -1.029 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001023173430 662436169 /nfs/dbraw/zinc/43/61/69/662436169.db2.gz JCFAHGQKROHLDM-XHNCKOQMSA-N 1 1 321.341 -2.000 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023175499 662437063 /nfs/dbraw/zinc/43/70/63/662437063.db2.gz QPHFEXZJYKLSTG-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO Cn1nccc1CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972525970 662437865 /nfs/dbraw/zinc/43/78/65/662437865.db2.gz FSJGFBCSVQUBDM-OAHLLOKOSA-N 1 1 321.381 -1.249 20 0 DAADMO Cn1nccc1CC[N@H+]1CCO[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC000972525970 662437868 /nfs/dbraw/zinc/43/78/68/662437868.db2.gz FSJGFBCSVQUBDM-OAHLLOKOSA-N 1 1 321.381 -1.249 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O ZINC001023192389 662437884 /nfs/dbraw/zinc/43/78/84/662437884.db2.gz KZZFJOWWGNUEKS-JHJVBQTASA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC001023191965 662438406 /nfs/dbraw/zinc/43/84/06/662438406.db2.gz CCKLREYBSHSTSP-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972526653 662438736 /nfs/dbraw/zinc/43/87/36/662438736.db2.gz LWSRCKOKXVODPB-FZMZJTMJSA-N 1 1 312.370 -1.647 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972526653 662438740 /nfs/dbraw/zinc/43/87/40/662438740.db2.gz LWSRCKOKXVODPB-FZMZJTMJSA-N 1 1 312.370 -1.647 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCCO)CCO2 ZINC000972526655 662439691 /nfs/dbraw/zinc/43/96/91/662439691.db2.gz LWSRCKOKXVODPB-SMDDNHRTSA-N 1 1 312.370 -1.647 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCCO)CCO2 ZINC000972526655 662439697 /nfs/dbraw/zinc/43/96/97/662439697.db2.gz LWSRCKOKXVODPB-SMDDNHRTSA-N 1 1 312.370 -1.647 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001023216421 662441305 /nfs/dbraw/zinc/44/13/05/662441305.db2.gz GXQURJWISVGWHK-JHJVBQTASA-N 1 1 321.381 -1.184 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001023212972 662441330 /nfs/dbraw/zinc/44/13/30/662441330.db2.gz WBJREHSAEHWGHU-GRYCIOLGSA-N 1 1 322.369 -1.789 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1O ZINC001023208534 662441501 /nfs/dbraw/zinc/44/15/01/662441501.db2.gz SHKDLTMOKFKCDV-WZBKEBKWSA-N 1 1 323.393 -1.339 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O ZINC001023216450 662441792 /nfs/dbraw/zinc/44/17/92/662441792.db2.gz HGDZLZMPFIFGMU-FRRDWIJNSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1O ZINC001023212345 662442017 /nfs/dbraw/zinc/44/20/17/662442017.db2.gz BGUPPHDWZCZAEH-GRYCIOLGSA-N 1 1 319.365 -1.128 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)CC1 ZINC000972528364 662442044 /nfs/dbraw/zinc/44/20/44/662442044.db2.gz NAUKTSOBNKSNSU-AWEZNQCLSA-N 1 1 311.382 -1.062 20 0 DAADMO NC(=O)C1(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)CC1 ZINC000972528364 662442046 /nfs/dbraw/zinc/44/20/46/662442046.db2.gz NAUKTSOBNKSNSU-AWEZNQCLSA-N 1 1 311.382 -1.062 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC001023208827 662442113 /nfs/dbraw/zinc/44/21/13/662442113.db2.gz YCYYBWCNPBTJJY-FRRDWIJNSA-N 1 1 321.381 -1.335 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1O ZINC001023214690 662442880 /nfs/dbraw/zinc/44/28/80/662442880.db2.gz KGLMUWUEFWRQEP-GRYCIOLGSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)C1 ZINC001023244075 662443544 /nfs/dbraw/zinc/44/35/44/662443544.db2.gz AQPNWSZOGZFMIZ-RAIGVLPGSA-N 1 1 322.365 -1.143 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCN(C(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000972535340 662443837 /nfs/dbraw/zinc/44/38/37/662443837.db2.gz ZXLBFMURTRPORC-XIRUVYRFSA-N 1 1 310.354 -1.500 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)C1 ZINC001023279053 662444428 /nfs/dbraw/zinc/44/44/28/662444428.db2.gz LMJQEYXHGUWISK-WZRBSPASSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)C1 ZINC001023279053 662444430 /nfs/dbraw/zinc/44/44/30/662444430.db2.gz LMJQEYXHGUWISK-WZRBSPASSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)C1 ZINC001023279710 662444591 /nfs/dbraw/zinc/44/45/91/662444591.db2.gz YERSILIVSXGBRQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2O)C1 ZINC001023279710 662444594 /nfs/dbraw/zinc/44/45/94/662444594.db2.gz YERSILIVSXGBRQ-JHJVBQTASA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)C1 ZINC001023278697 662444621 /nfs/dbraw/zinc/44/46/21/662444621.db2.gz FWELQPCPAQTVAI-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2O)C1 ZINC001023278697 662444624 /nfs/dbraw/zinc/44/46/24/662444624.db2.gz FWELQPCPAQTVAI-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972542065 662444717 /nfs/dbraw/zinc/44/47/17/662444717.db2.gz UXHGYHQKJLOUFQ-PSASIEDQSA-N 1 1 310.354 -1.554 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000972541664 662444728 /nfs/dbraw/zinc/44/47/28/662444728.db2.gz QULNOGMKLMJORA-WDEREUQCSA-N 1 1 324.381 -1.164 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023281075 662444744 /nfs/dbraw/zinc/44/47/44/662444744.db2.gz CZTSTKGNYKKEBT-WJXXXQCASA-N 1 1 311.382 -1.029 20 0 DAADMO C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023281075 662444745 /nfs/dbraw/zinc/44/47/45/662444745.db2.gz CZTSTKGNYKKEBT-WJXXXQCASA-N 1 1 311.382 -1.029 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)C1 ZINC001023282361 662445324 /nfs/dbraw/zinc/44/53/24/662445324.db2.gz BQMWZYTVEBATSS-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2O)C1 ZINC001023282361 662445328 /nfs/dbraw/zinc/44/53/28/662445328.db2.gz BQMWZYTVEBATSS-UPJWGTAASA-N 1 1 322.365 -1.353 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)CCN3CCNC3=O)C2)n1 ZINC000972545109 662445344 /nfs/dbraw/zinc/44/53/44/662445344.db2.gz QGLMSHRPUXLEEJ-LLVKDONJSA-N 1 1 321.385 -1.013 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023282921 662445462 /nfs/dbraw/zinc/44/54/62/662445462.db2.gz KFOVWXVWLHCPGR-HLTSFMKQSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)C1 ZINC001023282921 662445466 /nfs/dbraw/zinc/44/54/66/662445466.db2.gz KFOVWXVWLHCPGR-HLTSFMKQSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023281941 662445621 /nfs/dbraw/zinc/44/56/21/662445621.db2.gz RQDPNCMYYYEQSR-HLTSFMKQSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)C1 ZINC001023281941 662445623 /nfs/dbraw/zinc/44/56/23/662445623.db2.gz RQDPNCMYYYEQSR-HLTSFMKQSA-N 1 1 307.297 -1.730 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001023314327 662445790 /nfs/dbraw/zinc/44/57/90/662445790.db2.gz KHYLVWKRPOEDGE-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001023314326 662446003 /nfs/dbraw/zinc/44/60/03/662446003.db2.gz KHYLVWKRPOEDGE-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001023314328 662446113 /nfs/dbraw/zinc/44/61/13/662446113.db2.gz KHYLVWKRPOEDGE-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000972560040 662447007 /nfs/dbraw/zinc/44/70/07/662447007.db2.gz OODAPPHUDDRQMV-RKDXNWHRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)[C@@H]1CCNC1=O ZINC000972566339 662447831 /nfs/dbraw/zinc/44/78/31/662447831.db2.gz TTXZORIGAWDGDK-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972575207 662449512 /nfs/dbraw/zinc/44/95/12/662449512.db2.gz ADZOUDQQDNCSQT-JTQLQIEISA-N 1 1 307.358 -1.024 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)C1 ZINC001023493980 662449830 /nfs/dbraw/zinc/44/98/30/662449830.db2.gz VBBRLPSFQLBSGL-BFHYXJOUSA-N 1 1 323.393 -1.027 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001023531603 662451087 /nfs/dbraw/zinc/45/10/87/662451087.db2.gz ZLHFRNCLIUFGNP-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)n1 ZINC001023543659 662451431 /nfs/dbraw/zinc/45/14/31/662451431.db2.gz PJDVFCGBTWBXOU-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)n1 ZINC001023543659 662451434 /nfs/dbraw/zinc/45/14/34/662451434.db2.gz PJDVFCGBTWBXOU-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001023561045 662452060 /nfs/dbraw/zinc/45/20/60/662452060.db2.gz WUGRUXPNTMPPPS-JTQLQIEISA-N 1 1 307.354 -1.042 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001023567053 662452740 /nfs/dbraw/zinc/45/27/40/662452740.db2.gz SRJVLROOGLGVBK-JQWIXIFHSA-N 1 1 323.397 -1.225 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001023566847 662452942 /nfs/dbraw/zinc/45/29/42/662452942.db2.gz RXNJYWUIVAQRDO-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC000972597249 662453198 /nfs/dbraw/zinc/45/31/98/662453198.db2.gz UMWWBXZLJCBGNW-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972597249 662453200 /nfs/dbraw/zinc/45/32/00/662453200.db2.gz UMWWBXZLJCBGNW-SWLSCSKDSA-N 1 1 311.382 -1.049 20 0 DAADMO Cn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566128 662453296 /nfs/dbraw/zinc/45/32/96/662453296.db2.gz JLVDXFWPCYTUJX-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1nncc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001023566128 662453297 /nfs/dbraw/zinc/45/32/97/662453297.db2.gz JLVDXFWPCYTUJX-ZYHUDNBSSA-N 1 1 321.385 -1.175 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2O)nn1 ZINC001023586356 662453588 /nfs/dbraw/zinc/45/35/88/662453588.db2.gz BATWKGROLSLGQQ-YUSALJHKSA-N 1 1 322.369 -1.789 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001023597571 662454559 /nfs/dbraw/zinc/45/45/59/662454559.db2.gz GOWRQNCDUFRBOG-GMTAPVOTSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@@H+]([C@H]1CCN(C(=O)CCn2cnnn2)C1)[C@@H]1CCCNC1=O ZINC000972603313 662454828 /nfs/dbraw/zinc/45/48/28/662454828.db2.gz AKDGVEJQHKLWKC-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000972601305 662455049 /nfs/dbraw/zinc/45/50/49/662455049.db2.gz GVMJMATXMIZWEJ-AWEZNQCLSA-N 1 1 310.354 -1.139 20 0 DAADMO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972610873 662455275 /nfs/dbraw/zinc/45/52/75/662455275.db2.gz VUSTYLLOFVQPAC-GFCCVEGCSA-N 1 1 319.373 -1.112 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)C[N@H+](CCO)CCO2 ZINC000972612582 662455734 /nfs/dbraw/zinc/45/57/34/662455734.db2.gz VEDXYWHGNXZILC-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)C[N@@H+](CCO)CCO2 ZINC000972612582 662455735 /nfs/dbraw/zinc/45/57/35/662455735.db2.gz VEDXYWHGNXZILC-ZDUSSCGKSA-N 1 1 310.358 -1.641 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023635226 662456136 /nfs/dbraw/zinc/45/61/36/662456136.db2.gz HKVRPLXGGYKOJJ-QJPTWQEYSA-N 1 1 321.381 -1.029 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023626552 662456309 /nfs/dbraw/zinc/45/63/09/662456309.db2.gz FYWURDBDNYDCQT-GHMZBOCLSA-N 1 1 318.337 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001023626413 662456442 /nfs/dbraw/zinc/45/64/42/662456442.db2.gz DDJVSECZAIQEGR-GHMZBOCLSA-N 1 1 318.337 -1.084 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001023641230 662456738 /nfs/dbraw/zinc/45/67/38/662456738.db2.gz WDTDRHWQUBMBNO-NLTNOIMHSA-N 1 1 324.381 -1.205 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023644576 662456916 /nfs/dbraw/zinc/45/69/16/662456916.db2.gz NOWKCSWMLSADBC-ZJUUUORDSA-N 1 1 324.381 -1.259 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001023646345 662456920 /nfs/dbraw/zinc/45/69/20/662456920.db2.gz AHFIQFLSTMVRGO-SNVBAGLBSA-N 1 1 324.381 -1.387 20 0 DAADMO Cc1cc(C)n(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)c(=O)n1 ZINC000972624078 662456977 /nfs/dbraw/zinc/45/69/77/662456977.db2.gz BISMQEFKDMORBO-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO Cc1cc(C)n(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)c(=O)n1 ZINC000972624078 662456979 /nfs/dbraw/zinc/45/69/79/662456979.db2.gz BISMQEFKDMORBO-GFCCVEGCSA-N 1 1 321.381 -1.122 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001023749058 662457916 /nfs/dbraw/zinc/45/79/16/662457916.db2.gz ODDOZHLBDRUBDE-NXEZZACHSA-N 1 1 323.353 -1.820 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738988 662458022 /nfs/dbraw/zinc/45/80/22/662458022.db2.gz KITLGHHRCALKFF-VIFPVBQESA-N 1 1 320.353 -1.497 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001023738988 662458023 /nfs/dbraw/zinc/45/80/23/662458023.db2.gz KITLGHHRCALKFF-VIFPVBQESA-N 1 1 320.353 -1.497 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)c(=O)[nH]c1=O ZINC001023743917 662458058 /nfs/dbraw/zinc/45/80/58/662458058.db2.gz IGFLECZXCZRWPP-JTQLQIEISA-N 1 1 310.354 -1.080 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665954 662458276 /nfs/dbraw/zinc/45/82/76/662458276.db2.gz BVFXCZPAPPUYPJ-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665954 662458279 /nfs/dbraw/zinc/45/82/79/662458279.db2.gz BVFXCZPAPPUYPJ-GXTWGEPZSA-N 1 1 309.370 -1.038 20 0 DAADMO CNC(=O)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972672779 662458368 /nfs/dbraw/zinc/45/83/68/662458368.db2.gz AHLONDUQJYNCQS-BBRMVZONSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)n(C)c1=O ZINC001023766650 662458402 /nfs/dbraw/zinc/45/84/02/662458402.db2.gz VSXWETCLYAZNNA-JTQLQIEISA-N 1 1 309.370 -1.349 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)nn1 ZINC001023763364 662458504 /nfs/dbraw/zinc/45/85/04/662458504.db2.gz KPRUSOFRJUSXEJ-LLVKDONJSA-N 1 1 324.385 -1.412 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665958 662458775 /nfs/dbraw/zinc/45/87/75/662458775.db2.gz BVFXCZPAPPUYPJ-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cncn3)C2)C1 ZINC000972665958 662458781 /nfs/dbraw/zinc/45/87/81/662458781.db2.gz BVFXCZPAPPUYPJ-JSGCOSHPSA-N 1 1 309.370 -1.038 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2O)C1 ZINC001023782017 662459035 /nfs/dbraw/zinc/45/90/35/662459035.db2.gz AQVIWTUBCDFCTM-HBNTYKKESA-N 1 1 307.354 -1.337 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@]2(C1)CN(CC(N)=O)CCO2 ZINC000972675898 662459111 /nfs/dbraw/zinc/45/91/11/662459111.db2.gz FSKRPTZVQGSFDC-OAHLLOKOSA-N 1 1 321.381 -1.020 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2O)C1 ZINC001023782185 662459205 /nfs/dbraw/zinc/45/92/05/662459205.db2.gz GUTZBYGHSTVVOK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2O)C1 ZINC001023782185 662459209 /nfs/dbraw/zinc/45/92/09/662459209.db2.gz GUTZBYGHSTVVOK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2O)C1 ZINC001023782185 662459212 /nfs/dbraw/zinc/45/92/12/662459212.db2.gz GUTZBYGHSTVVOK-CYZMBNFOSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2O)C1 ZINC001023782054 662459236 /nfs/dbraw/zinc/45/92/36/662459236.db2.gz BRGBCOMLHONRAP-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023782054 662459237 /nfs/dbraw/zinc/45/92/37/662459237.db2.gz BRGBCOMLHONRAP-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2O)C1 ZINC001023782054 662459238 /nfs/dbraw/zinc/45/92/38/662459238.db2.gz BRGBCOMLHONRAP-YUSALJHKSA-N 1 1 307.354 -1.337 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2O)C1 ZINC001023782296 662459354 /nfs/dbraw/zinc/45/93/54/662459354.db2.gz KBXMXGMKGBDKQE-IJLUTSLNSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2O)C1 ZINC001023788080 662459538 /nfs/dbraw/zinc/45/95/38/662459538.db2.gz SVLWVMWPQYUXIS-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2O)C1 ZINC001023783971 662459540 /nfs/dbraw/zinc/45/95/40/662459540.db2.gz QDDUIGJIURWMTC-CYZMBNFOSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2O)C1 ZINC001023783519 662459558 /nfs/dbraw/zinc/45/95/58/662459558.db2.gz JXWZDKKUHHOSCN-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2O)C1 ZINC001023783519 662459561 /nfs/dbraw/zinc/45/95/61/662459561.db2.gz JXWZDKKUHHOSCN-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2O)C1 ZINC001023783519 662459564 /nfs/dbraw/zinc/45/95/64/662459564.db2.gz JXWZDKKUHHOSCN-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023788007 662459671 /nfs/dbraw/zinc/45/96/71/662459671.db2.gz RRYFJNYDRXCCPE-RAIGVLPGSA-N 1 1 321.381 -1.327 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3nccn3)C[C@H]2O)C1 ZINC001023783305 662459812 /nfs/dbraw/zinc/45/98/12/662459812.db2.gz GPWLCMLPOULVOK-IJLUTSLNSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncccn3)C[C@H]2O)C1 ZINC001023783104 662459924 /nfs/dbraw/zinc/45/99/24/662459924.db2.gz DBODAPQMAPUPEW-IJLUTSLNSA-N 1 1 319.365 -1.270 20 0 DAADMO Cc1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023788365 662460258 /nfs/dbraw/zinc/46/02/58/662460258.db2.gz VZOPWAMPZPCJPH-IJLUTSLNSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2O)C1 ZINC001023788314 662460390 /nfs/dbraw/zinc/46/03/90/662460390.db2.gz VFEYZCSWTXMQJV-YNEHKIRRSA-N 1 1 319.365 -1.270 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000972690540 662460476 /nfs/dbraw/zinc/46/04/76/662460476.db2.gz KOTDOTTVQZXLIH-WDEREUQCSA-N 1 1 322.369 -1.129 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC000972690540 662460479 /nfs/dbraw/zinc/46/04/79/662460479.db2.gz KOTDOTTVQZXLIH-WDEREUQCSA-N 1 1 322.369 -1.129 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1O ZINC001023799452 662461517 /nfs/dbraw/zinc/46/15/17/662461517.db2.gz DVFGQMDGYHSLOX-JHJVBQTASA-N 1 1 322.365 -1.084 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001023861567 662463142 /nfs/dbraw/zinc/46/31/42/662463142.db2.gz SKTXAGHZBLNHBD-RYUDHWBXSA-N 1 1 324.385 -1.046 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001023892781 662464205 /nfs/dbraw/zinc/46/42/05/662464205.db2.gz WFASMEMLOIADDP-IJLUTSLNSA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000972717348 662464709 /nfs/dbraw/zinc/46/47/09/662464709.db2.gz GAOXVPCLHQBVFU-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000972704746 662464930 /nfs/dbraw/zinc/46/49/30/662464930.db2.gz UTDUSMCJCXPJJO-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000972704746 662464932 /nfs/dbraw/zinc/46/49/32/662464932.db2.gz UTDUSMCJCXPJJO-MNOVXSKESA-N 1 1 311.386 -1.062 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972719924 662465770 /nfs/dbraw/zinc/46/57/70/662465770.db2.gz DYVSFSNAHSRKBO-VHSXEESVSA-N 1 1 320.353 -1.055 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)Cn3ncnn3)C2)n1 ZINC001023987890 662466001 /nfs/dbraw/zinc/46/60/01/662466001.db2.gz ZABYPOFFHXHHKO-SNVBAGLBSA-N 1 1 320.361 -1.775 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)n1 ZINC000972775893 662466217 /nfs/dbraw/zinc/46/62/17/662466217.db2.gz HTMLAPUSQIJRAV-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)n1 ZINC000972775893 662466219 /nfs/dbraw/zinc/46/62/19/662466219.db2.gz HTMLAPUSQIJRAV-NSHDSACASA-N 1 1 307.354 -1.430 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)Cn3nccn3)C2)n1 ZINC001024005783 662466307 /nfs/dbraw/zinc/46/63/07/662466307.db2.gz UPEKIEXMIUYPEN-NSHDSACASA-N 1 1 319.373 -1.170 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)n1 ZINC000972775890 662466370 /nfs/dbraw/zinc/46/63/70/662466370.db2.gz HTMLAPUSQIJRAV-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)n1 ZINC000972775890 662466375 /nfs/dbraw/zinc/46/63/75/662466375.db2.gz HTMLAPUSQIJRAV-LLVKDONJSA-N 1 1 307.354 -1.430 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)n1 ZINC001024050768 662467091 /nfs/dbraw/zinc/46/70/91/662467091.db2.gz QQUDDVOTRMAYSW-SECBINFHSA-N 1 1 305.346 -1.030 20 0 DAADMO CC1(C)C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794239 662467449 /nfs/dbraw/zinc/46/74/49/662467449.db2.gz NQIKJLCRLHRSCB-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794239 662467451 /nfs/dbraw/zinc/46/74/51/662467451.db2.gz NQIKJLCRLHRSCB-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795294 662467804 /nfs/dbraw/zinc/46/78/04/662467804.db2.gz YYGPESBOIJPOJA-MNOVXSKESA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cn3cnnn3)C(C)(C)C2)C1=O ZINC000972795294 662467807 /nfs/dbraw/zinc/46/78/07/662467807.db2.gz YYGPESBOIJPOJA-MNOVXSKESA-N 1 1 321.385 -1.270 20 0 DAADMO CC1(C)C[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794462 662467915 /nfs/dbraw/zinc/46/79/15/662467915.db2.gz QDVQQMCSLGGZOT-NSHDSACASA-N 1 1 321.385 -1.222 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794462 662467918 /nfs/dbraw/zinc/46/79/18/662467918.db2.gz QDVQQMCSLGGZOT-NSHDSACASA-N 1 1 321.385 -1.222 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793977 662468018 /nfs/dbraw/zinc/46/80/18/662468018.db2.gz LKTZKHPILUKSKF-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972793977 662468022 /nfs/dbraw/zinc/46/80/22/662468022.db2.gz LKTZKHPILUKSKF-JTQLQIEISA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800051 662468410 /nfs/dbraw/zinc/46/84/10/662468410.db2.gz QWFQBNFTYOYHOK-QWRGUYRKSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972800051 662468416 /nfs/dbraw/zinc/46/84/16/662468416.db2.gz QWFQBNFTYOYHOK-QWRGUYRKSA-N 1 1 323.401 -1.024 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCNC3=O)C2)n1 ZINC001024092646 662468679 /nfs/dbraw/zinc/46/86/79/662468679.db2.gz FYLASLCCSDOXIN-WDEREUQCSA-N 1 1 321.385 -1.326 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1 ZINC001024101522 662468689 /nfs/dbraw/zinc/46/86/89/662468689.db2.gz ZHMKIPHDBHBGIL-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)C1 ZINC001024101522 662468690 /nfs/dbraw/zinc/46/86/90/662468690.db2.gz ZHMKIPHDBHBGIL-JHJVBQTASA-N 1 1 322.365 -1.353 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024122043 662469288 /nfs/dbraw/zinc/46/92/88/662469288.db2.gz LTOOAWZRMWIPGP-GMTAPVOTSA-N 1 1 312.370 -1.966 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024137285 662469813 /nfs/dbraw/zinc/46/98/13/662469813.db2.gz KOERUXIQYARUCV-OUAUKWLOSA-N 1 1 312.370 -1.966 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001024128999 662469861 /nfs/dbraw/zinc/46/98/61/662469861.db2.gz HXZCIWCBINNRMW-ZJUUUORDSA-N 1 1 322.373 -1.780 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)O1 ZINC000972855711 662470335 /nfs/dbraw/zinc/47/03/35/662470335.db2.gz VVYQAGIALLHYNF-DDHJBXDOSA-N 1 1 324.381 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)O1 ZINC000972855711 662470342 /nfs/dbraw/zinc/47/03/42/662470342.db2.gz VVYQAGIALLHYNF-DDHJBXDOSA-N 1 1 324.381 -1.750 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001024203084 662470783 /nfs/dbraw/zinc/47/07/83/662470783.db2.gz NHNMPWCSEBPIHI-VIFPVBQESA-N 1 1 305.346 -1.030 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001024200444 662470801 /nfs/dbraw/zinc/47/08/01/662470801.db2.gz ZBKSRCMXJJHAFH-JTQLQIEISA-N 1 1 319.373 -1.019 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001024244822 662471116 /nfs/dbraw/zinc/47/11/16/662471116.db2.gz OVPKEMNDWKBXLV-QWRGUYRKSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC001024244819 662471209 /nfs/dbraw/zinc/47/12/09/662471209.db2.gz OVPKEMNDWKBXLV-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)O1 ZINC001024387408 662472604 /nfs/dbraw/zinc/47/26/04/662472604.db2.gz PDQIBAGXHUVAHV-ZYUZMQFOSA-N 1 1 321.324 -1.342 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2O)O1 ZINC001024387408 662472608 /nfs/dbraw/zinc/47/26/08/662472608.db2.gz PDQIBAGXHUVAHV-ZYUZMQFOSA-N 1 1 321.324 -1.342 20 0 DAADMO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024425266 662473329 /nfs/dbraw/zinc/47/33/29/662473329.db2.gz QVKAHJYJYZUPFS-GMTAPVOTSA-N 1 1 323.353 -1.226 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024469830 662474673 /nfs/dbraw/zinc/47/46/73/662474673.db2.gz CQHRQMLJWQFIGT-DMDPSCGWSA-N 1 1 321.381 -1.327 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)C1 ZINC001024549573 662477740 /nfs/dbraw/zinc/47/77/40/662477740.db2.gz HUJQNBUGZSPLMO-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024549573 662477741 /nfs/dbraw/zinc/47/77/41/662477741.db2.gz HUJQNBUGZSPLMO-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnn[nH]3)C2)C1 ZINC001024549573 662477742 /nfs/dbraw/zinc/47/77/42/662477742.db2.gz HUJQNBUGZSPLMO-YUSALJHKSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CCCO ZINC000947619354 662478724 /nfs/dbraw/zinc/47/87/24/662478724.db2.gz HLEOQUHVWXYBQD-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947619376 662478898 /nfs/dbraw/zinc/47/88/98/662478898.db2.gz HOSGRMQFHAYFBW-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947619376 662478901 /nfs/dbraw/zinc/47/89/01/662478901.db2.gz HOSGRMQFHAYFBW-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@@H+]1CC(N)=O ZINC000947619379 662479026 /nfs/dbraw/zinc/47/90/26/662479026.db2.gz HOSGRMQFHAYFBW-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[N@H+]1CC(N)=O ZINC000947619379 662479028 /nfs/dbraw/zinc/47/90/28/662479028.db2.gz HOSGRMQFHAYFBW-WDEREUQCSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC[N@@H+]1CCO ZINC000935498544 662479319 /nfs/dbraw/zinc/47/93/19/662479319.db2.gz HEWYUBUOHOYQLU-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC[N@H+]1CCO ZINC000935498544 662479320 /nfs/dbraw/zinc/47/93/20/662479320.db2.gz HEWYUBUOHOYQLU-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001024596005 662479849 /nfs/dbraw/zinc/47/98/49/662479849.db2.gz NDWLSJALAVOREA-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001024596005 662479855 /nfs/dbraw/zinc/47/98/55/662479855.db2.gz NDWLSJALAVOREA-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1O ZINC001024699512 662481498 /nfs/dbraw/zinc/48/14/98/662481498.db2.gz REPPGQPDURRTSH-YRGRVCCFSA-N 1 1 324.381 -1.104 20 0 DAADMO O=C(NC[C@H]1CCCC[N@@H+]1CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001024685643 662481745 /nfs/dbraw/zinc/48/17/45/662481745.db2.gz KVLFSBVQDKSYAH-MNOVXSKESA-N 1 1 312.370 -1.062 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C[C@H]1C ZINC000947209272 662481954 /nfs/dbraw/zinc/48/19/54/662481954.db2.gz BOGOBEAZKNNBRO-NXEZZACHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C[C@H]1C ZINC000947209278 662481968 /nfs/dbraw/zinc/48/19/68/662481968.db2.gz BOGOBEAZKNNBRO-ZJUUUORDSA-N 1 1 310.358 -1.301 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024813314 662484676 /nfs/dbraw/zinc/48/46/76/662484676.db2.gz YYIFRGOWCYKPJW-MNOVXSKESA-N 1 1 324.385 -1.272 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)C1 ZINC001024853062 662485851 /nfs/dbraw/zinc/48/58/51/662485851.db2.gz WNGHWSFGJKTGRK-GMTAPVOTSA-N 1 1 308.338 -1.072 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)Cn2cnnn2)n1 ZINC001024860700 662485957 /nfs/dbraw/zinc/48/59/57/662485957.db2.gz DAHZSLIRZXAUJE-GFCCVEGCSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001024898995 662486374 /nfs/dbraw/zinc/48/63/74/662486374.db2.gz QPQUVJNPFSKCBE-GHMZBOCLSA-N 1 1 321.385 -1.041 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001024863573 662486420 /nfs/dbraw/zinc/48/64/20/662486420.db2.gz DWIWGUKUKCMQSC-SNVBAGLBSA-N 1 1 320.361 -1.633 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001024964673 662488152 /nfs/dbraw/zinc/48/81/52/662488152.db2.gz NIDQXOLZMUOBLG-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001024964127 662488321 /nfs/dbraw/zinc/48/83/21/662488321.db2.gz JOEXRWIUZOOAMV-HFAKWTLXSA-N 1 1 324.381 -1.964 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024985251 662489076 /nfs/dbraw/zinc/48/90/76/662489076.db2.gz AWXODDVMGPWXFR-GMTAPVOTSA-N 1 1 322.369 -1.491 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936146488 662492848 /nfs/dbraw/zinc/49/28/48/662492848.db2.gz AEXICBHGCSEGIE-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001025060794 662493573 /nfs/dbraw/zinc/49/35/73/662493573.db2.gz NOPKLXRGZBLRGO-ZJUUUORDSA-N 1 1 322.373 -1.638 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)N2)n1 ZINC001025059987 662493630 /nfs/dbraw/zinc/49/36/30/662493630.db2.gz AIDNZZAINJPVCN-NEPJUHHUSA-N 1 1 321.385 -1.033 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936147772 662493682 /nfs/dbraw/zinc/49/36/82/662493682.db2.gz XLSKEYSRUODMKZ-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000936147772 662493687 /nfs/dbraw/zinc/49/36/87/662493687.db2.gz XLSKEYSRUODMKZ-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2O)n1 ZINC001025127690 662500261 /nfs/dbraw/zinc/50/02/61/662500261.db2.gz KUFCAIXINJQAHQ-KXUCPTDWSA-N 1 1 323.357 -2.394 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)N(C)C ZINC000947310061 662500315 /nfs/dbraw/zinc/50/03/15/662500315.db2.gz KYYQCEVBYJHSIF-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)n1 ZINC001025131607 662501076 /nfs/dbraw/zinc/50/10/76/662501076.db2.gz SPBRYKWGIMVZSF-IVZWLZJFSA-N 1 1 323.357 -2.537 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973123845 662503160 /nfs/dbraw/zinc/50/31/60/662503160.db2.gz LDMVLDBLVBZXHA-SRVKXCTJSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC000973123845 662503162 /nfs/dbraw/zinc/50/31/62/662503162.db2.gz LDMVLDBLVBZXHA-SRVKXCTJSA-N 1 1 322.369 -1.628 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000973200880 662505882 /nfs/dbraw/zinc/50/58/82/662505882.db2.gz MKFDDCMRKGFKMO-DCAQKATOSA-N 1 1 322.369 -1.301 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnon2)C1 ZINC001025243031 662506003 /nfs/dbraw/zinc/50/60/03/662506003.db2.gz SFUBGRMVWALJOE-IJLUTSLNSA-N 1 1 323.353 -1.145 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000973233038 662507490 /nfs/dbraw/zinc/50/74/90/662507490.db2.gz ZLEDBRABUIABKK-DBIOUOCHSA-N 1 1 310.354 -1.190 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000973291741 662510115 /nfs/dbraw/zinc/51/01/15/662510115.db2.gz BQYRLLJSHINTHX-NAKRPEOUSA-N 1 1 309.370 -1.617 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000973293679 662510118 /nfs/dbraw/zinc/51/01/18/662510118.db2.gz TVQDJGJKRMIBKN-NGDQXYMTSA-N 1 1 308.382 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3nccn3)C2)C1 ZINC000973292488 662510344 /nfs/dbraw/zinc/51/03/44/662510344.db2.gz HZDBBDNFSLLVHJ-IJLUTSLNSA-N 1 1 306.370 -1.007 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000973308731 662510425 /nfs/dbraw/zinc/51/04/25/662510425.db2.gz SYKFVLDJQNXTMZ-DDHJBXDOSA-N 1 1 321.385 -1.223 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018655921 662511617 /nfs/dbraw/zinc/51/16/17/662511617.db2.gz HTGAJSRASMVGQT-NSHDSACASA-N 1 1 320.353 -1.306 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000973465417 662517078 /nfs/dbraw/zinc/51/70/78/662517078.db2.gz JIFMFUXPALTPEE-DDHJBXDOSA-N 1 1 323.397 -1.227 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025383633 662517135 /nfs/dbraw/zinc/51/71/35/662517135.db2.gz QTCZOFMIELRIDK-OUAUKWLOSA-N 1 1 312.370 -1.968 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973510408 662519417 /nfs/dbraw/zinc/51/94/17/662519417.db2.gz WVNMNWHMQXJABK-XWLWVQCSSA-N 1 1 321.385 -1.215 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000973510164 662519437 /nfs/dbraw/zinc/51/94/37/662519437.db2.gz CMROONINRRAZRP-GMTAPVOTSA-N 1 1 321.385 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000973592337 662521044 /nfs/dbraw/zinc/52/10/44/662521044.db2.gz MGMFDWUCTKLWER-YATPEIPISA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)C1 ZINC000973592337 662521048 /nfs/dbraw/zinc/52/10/48/662521048.db2.gz MGMFDWUCTKLWER-YATPEIPISA-N 1 1 324.381 -1.560 20 0 DAADMO NC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000408025147 662521109 /nfs/dbraw/zinc/52/11/09/662521109.db2.gz OMGBOXYQIMLOQD-GFCCVEGCSA-N 1 1 323.397 -1.190 20 0 DAADMO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000408025147 662521115 /nfs/dbraw/zinc/52/11/15/662521115.db2.gz OMGBOXYQIMLOQD-GFCCVEGCSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025560651 662523343 /nfs/dbraw/zinc/52/33/43/662523343.db2.gz GFQOATORTDJUKM-NXEZZACHSA-N 1 1 324.381 -1.259 20 0 DAADMO C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001025560655 662523426 /nfs/dbraw/zinc/52/34/26/662523426.db2.gz GFQOATORTDJUKM-VHSXEESVSA-N 1 1 324.381 -1.259 20 0 DAADMO C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001025630826 662524326 /nfs/dbraw/zinc/52/43/26/662524326.db2.gz WWGHWNAOZZMSJT-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001025630825 662524455 /nfs/dbraw/zinc/52/44/55/662524455.db2.gz WWGHWNAOZZMSJT-QWRGUYRKSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001025630824 662524644 /nfs/dbraw/zinc/52/46/44/662524644.db2.gz WWGHWNAOZZMSJT-MNOVXSKESA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001025630823 662524743 /nfs/dbraw/zinc/52/47/43/662524743.db2.gz WWGHWNAOZZMSJT-GHMZBOCLSA-N 1 1 324.385 -1.414 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686082 662525417 /nfs/dbraw/zinc/52/54/17/662525417.db2.gz JYWJYCICWOHFND-MLGHIDQZSA-N 1 1 309.366 -1.273 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001025683589 662525461 /nfs/dbraw/zinc/52/54/61/662525461.db2.gz PELNTUKJUHTWLJ-YUSALJHKSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1O ZINC001025683589 662525462 /nfs/dbraw/zinc/52/54/62/662525462.db2.gz PELNTUKJUHTWLJ-YUSALJHKSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001025683365 662525483 /nfs/dbraw/zinc/52/54/83/662525483.db2.gz LRPFUZXXZKAHBD-HBNTYKKESA-N 1 1 312.370 -1.966 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001025685875 662525584 /nfs/dbraw/zinc/52/55/84/662525584.db2.gz XQLFMTNFNCSLSI-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2O)C1 ZINC001025685875 662525588 /nfs/dbraw/zinc/52/55/88/662525588.db2.gz XQLFMTNFNCSLSI-GMTAPVOTSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001025688130 662526083 /nfs/dbraw/zinc/52/60/83/662526083.db2.gz ZZXFGXWCWDGETJ-IEECTRCBSA-N 1 1 311.382 -1.075 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC001025688129 662526099 /nfs/dbraw/zinc/52/60/99/662526099.db2.gz ZZXFGXWCWDGETJ-BNDIWNMDSA-N 1 1 311.382 -1.075 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCOC1 ZINC001025701450 662526688 /nfs/dbraw/zinc/52/66/88/662526688.db2.gz UTMFALNCIGOVIC-HMUNZLOLSA-N 1 1 307.350 -1.126 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708515 662526813 /nfs/dbraw/zinc/52/68/13/662526813.db2.gz UHTJGBJGGGSQPA-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708515 662526814 /nfs/dbraw/zinc/52/68/14/662526814.db2.gz UHTJGBJGGGSQPA-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCOC1 ZINC001025701451 662527076 /nfs/dbraw/zinc/52/70/76/662527076.db2.gz UTMFALNCIGOVIC-IIEKFROSSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025709105 662527274 /nfs/dbraw/zinc/52/72/74/662527274.db2.gz KPMBKGBCNFLLBT-DUYQIWHPSA-N 1 1 320.349 -1.883 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001025719888 662527356 /nfs/dbraw/zinc/52/73/56/662527356.db2.gz WPWIFPJEPGKOLR-FPYNETTCSA-N 1 1 310.398 -1.373 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001025719812 662527614 /nfs/dbraw/zinc/52/76/14/662527614.db2.gz DMCWSQJJFWTPMB-ZUWCUPBKSA-N 1 1 322.409 -1.406 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001025708877 662527674 /nfs/dbraw/zinc/52/76/74/662527674.db2.gz NEKFZJCVUKPSRY-TUTUZKQUSA-N 1 1 306.366 -1.458 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708516 662527987 /nfs/dbraw/zinc/52/79/87/662527987.db2.gz UHTJGBJGGGSQPA-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025708516 662527988 /nfs/dbraw/zinc/52/79/88/662527988.db2.gz UHTJGBJGGGSQPA-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001025719345 662527998 /nfs/dbraw/zinc/52/79/98/662527998.db2.gz JQZIUNJOALDXAX-ITGHMWBKSA-N 1 1 322.409 -1.358 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cncn3)C2)C1 ZINC001025728702 662528546 /nfs/dbraw/zinc/52/85/46/662528546.db2.gz HPZPICJDALQHIY-QJPTWQEYSA-N 1 1 322.369 -2.082 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001025740886 662528891 /nfs/dbraw/zinc/52/88/91/662528891.db2.gz IOFWPUSHHVWJBS-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)C1 ZINC001025740886 662528892 /nfs/dbraw/zinc/52/88/92/662528892.db2.gz IOFWPUSHHVWJBS-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)C1 ZINC001025740886 662528894 /nfs/dbraw/zinc/52/88/94/662528894.db2.gz IOFWPUSHHVWJBS-HBNTYKKESA-N 1 1 322.369 -2.013 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025737361 662529052 /nfs/dbraw/zinc/52/90/52/662529052.db2.gz KLRAHNWPMKMWHE-QEGBUVANSA-N 1 1 307.350 -1.126 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025747430 662530789 /nfs/dbraw/zinc/53/07/89/662530789.db2.gz LUEXEFDUPLFYIR-MLGHIDQZSA-N 1 1 308.382 -1.748 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025763968 662530995 /nfs/dbraw/zinc/53/09/95/662530995.db2.gz JULCWSOTBYIUMC-RNWYCLNJSA-N 1 1 322.365 -1.238 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025764374 662531200 /nfs/dbraw/zinc/53/12/00/662531200.db2.gz QQTFKAAMGWLTJH-ROHXPCBUSA-N 1 1 322.365 -1.238 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COC(=O)N2)C1=O ZINC001025763969 662531286 /nfs/dbraw/zinc/53/12/86/662531286.db2.gz JULCWSOTBYIUMC-ROHXPCBUSA-N 1 1 322.365 -1.238 20 0 DAADMO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001025764373 662531342 /nfs/dbraw/zinc/53/13/42/662531342.db2.gz QQTFKAAMGWLTJH-RNWYCLNJSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001025803101 662532382 /nfs/dbraw/zinc/53/23/82/662532382.db2.gz USXOGBHTJWRORF-JHJVBQTASA-N 1 1 321.381 -1.266 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001025808408 662532585 /nfs/dbraw/zinc/53/25/85/662532585.db2.gz OCVVGTYFSBQVDF-VLLVSFFDSA-N 1 1 308.382 -1.354 20 0 DAADMO NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798645 662532725 /nfs/dbraw/zinc/53/27/25/662532725.db2.gz CBDSWKSRPJPBRT-BYNIDDHOSA-N 1 1 308.382 -1.619 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001025803989 662532819 /nfs/dbraw/zinc/53/28/19/662532819.db2.gz USXOGBHTJWRORF-FRRDWIJNSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001025812343 662533233 /nfs/dbraw/zinc/53/32/33/662533233.db2.gz BDPIIBRRJJNFFT-YCGPCKTQSA-N 1 1 320.393 -1.210 20 0 DAADMO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000314238993 662533363 /nfs/dbraw/zinc/53/33/63/662533363.db2.gz XCKWPLHGONRSRW-AVGNSLFASA-N 1 1 319.427 -1.243 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025812008 662533384 /nfs/dbraw/zinc/53/33/84/662533384.db2.gz DZOUOYLFMNVKMS-XPORZQOISA-N 1 1 306.366 -1.553 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025811927 662533387 /nfs/dbraw/zinc/53/33/87/662533387.db2.gz PSDHFVIXQVLXSY-QKZHPOIUSA-N 1 1 320.393 -1.162 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001025808466 662533396 /nfs/dbraw/zinc/53/33/96/662533396.db2.gz UDXRHGDYZONASE-ZTVLKNOQSA-N 1 1 308.382 -1.225 20 0 DAADMO CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808578 662533426 /nfs/dbraw/zinc/53/34/26/662533426.db2.gz DKDORAMTRAEAPF-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCNC2=O)C1=O ZINC001025812342 662533680 /nfs/dbraw/zinc/53/36/80/662533680.db2.gz BDPIIBRRJJNFFT-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1CCCNC1=O ZINC001025815289 662533682 /nfs/dbraw/zinc/53/36/82/662533682.db2.gz YJWBJCWOBOSDGF-KIJLLGNVSA-N 1 1 320.393 -1.162 20 0 DAADMO CO[C@H]1COCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001025811842 662533693 /nfs/dbraw/zinc/53/36/93/662533693.db2.gz VWLPFEJWKRVMLY-KLFGWDPYSA-N 1 1 311.382 -1.040 20 0 DAADMO CO[C@H]1COCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001025811842 662533695 /nfs/dbraw/zinc/53/36/95/662533695.db2.gz VWLPFEJWKRVMLY-KLFGWDPYSA-N 1 1 311.382 -1.040 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1=O ZINC001025808843 662533794 /nfs/dbraw/zinc/53/37/94/662533794.db2.gz POCUFNNNSIEUJZ-IIEKFROSSA-N 1 1 306.366 -1.600 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001025815364 662533881 /nfs/dbraw/zinc/53/38/81/662533881.db2.gz FEXOPANHDHVCRM-HHHUOAJASA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCNC2=O)C1=O ZINC001025812341 662533926 /nfs/dbraw/zinc/53/39/26/662533926.db2.gz BDPIIBRRJJNFFT-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001025808422 662534002 /nfs/dbraw/zinc/53/40/02/662534002.db2.gz PJDNBBWTBQMUIS-BYNIDDHOSA-N 1 1 320.393 -1.258 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814139 662534104 /nfs/dbraw/zinc/53/41/04/662534104.db2.gz PWXFIWZSASQLEC-KSFAHDSMSA-N 1 1 323.353 -2.105 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814198 662534115 /nfs/dbraw/zinc/53/41/15/662534115.db2.gz XWVWSYUBAFIOBO-ABCHNEDTSA-N 1 1 323.353 -2.235 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818397 662534214 /nfs/dbraw/zinc/53/42/14/662534214.db2.gz CKAZYZUCVPBOGY-WNWFYDSVSA-N 1 1 322.409 -1.360 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025815777 662534251 /nfs/dbraw/zinc/53/42/51/662534251.db2.gz YOMBAXTXSUCCNR-DIACKHNESA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001025842749 662534354 /nfs/dbraw/zinc/53/43/54/662534354.db2.gz VGGBMMVMSPKZBM-BNDIWNMDSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001025842749 662534356 /nfs/dbraw/zinc/53/43/56/662534356.db2.gz VGGBMMVMSPKZBM-BNDIWNMDSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)O1 ZINC001025818396 662534588 /nfs/dbraw/zinc/53/45/88/662534588.db2.gz CKAZYZUCVPBOGY-WCQYUDONSA-N 1 1 322.409 -1.360 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025814138 662534635 /nfs/dbraw/zinc/53/46/35/662534635.db2.gz PWXFIWZSASQLEC-KHWQERMQSA-N 1 1 323.353 -2.105 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC001025815754 662534691 /nfs/dbraw/zinc/53/46/91/662534691.db2.gz UTZRVQYCLDOXAU-HMUNZLOLSA-N 1 1 308.382 -1.164 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001025842751 662534756 /nfs/dbraw/zinc/53/47/56/662534756.db2.gz VGGBMMVMSPKZBM-KIJLLGNVSA-N 1 1 310.398 -1.373 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001025842751 662534759 /nfs/dbraw/zinc/53/47/59/662534759.db2.gz VGGBMMVMSPKZBM-KIJLLGNVSA-N 1 1 310.398 -1.373 20 0 DAADMO CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025815778 662534766 /nfs/dbraw/zinc/53/47/66/662534766.db2.gz YOMBAXTXSUCCNR-JLDUMIBSSA-N 1 1 320.393 -1.210 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001025813936 662534824 /nfs/dbraw/zinc/53/48/24/662534824.db2.gz FJZJODUBUGRNAK-RWHSBRQSSA-N 1 1 310.354 -1.334 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001025848881 662535055 /nfs/dbraw/zinc/53/50/55/662535055.db2.gz KVHNYPUDZPFVJG-XPORZQOISA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001025873971 662535209 /nfs/dbraw/zinc/53/52/09/662535209.db2.gz YEUCINZKVRICOX-RNWYCLNJSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001025873971 662535210 /nfs/dbraw/zinc/53/52/10/662535210.db2.gz YEUCINZKVRICOX-RNWYCLNJSA-N 1 1 323.397 -1.303 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC001025849397 662535248 /nfs/dbraw/zinc/53/52/48/662535248.db2.gz TUZLIUZPISVXLV-XPORZQOISA-N 1 1 306.366 -1.553 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001025873963 662535411 /nfs/dbraw/zinc/53/54/11/662535411.db2.gz YEUCINZKVRICOX-JCIQBVFBSA-N 1 1 323.397 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001025873963 662535415 /nfs/dbraw/zinc/53/54/15/662535415.db2.gz YEUCINZKVRICOX-JCIQBVFBSA-N 1 1 323.397 -1.303 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC001025849399 662535449 /nfs/dbraw/zinc/53/54/49/662535449.db2.gz TUZLIUZPISVXLV-ZTVLKNOQSA-N 1 1 306.366 -1.553 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000930488486 662541975 /nfs/dbraw/zinc/54/19/75/662541975.db2.gz ZLPAKPZOCATMBH-LLVKDONJSA-N 1 1 307.416 -1.266 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001020194255 662537874 /nfs/dbraw/zinc/53/78/74/662537874.db2.gz HKRDGFGXVHEXFF-MGCOHNPYSA-N 1 1 313.383 -1.404 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1)c1nnnn1C ZINC001020199158 662538081 /nfs/dbraw/zinc/53/80/81/662538081.db2.gz IJXXACKFMCPWNC-OPRDCNLKSA-N 1 1 305.346 -1.200 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001020232296 662538121 /nfs/dbraw/zinc/53/81/21/662538121.db2.gz PWOIUIQHNKGGSZ-DCAQKATOSA-N 1 1 321.385 -1.137 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 ZINC001025921868 662538965 /nfs/dbraw/zinc/53/89/65/662538965.db2.gz IVKVORFEEMJYRB-DDRZYQNWSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC(=O)CC1 ZINC001025927837 662539028 /nfs/dbraw/zinc/53/90/28/662539028.db2.gz JGIBXFUCJYNLQG-JLDUMIBSSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001025922604 662539086 /nfs/dbraw/zinc/53/90/86/662539086.db2.gz WDQSGMPNQCNZGK-ZNXLTMBDSA-N 1 1 308.382 -1.307 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025920015 662539251 /nfs/dbraw/zinc/53/92/51/662539251.db2.gz NEVALYBMPQKRCK-SWYYREQYSA-N 1 1 323.393 -1.042 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001025920015 662539253 /nfs/dbraw/zinc/53/92/53/662539253.db2.gz NEVALYBMPQKRCK-SWYYREQYSA-N 1 1 323.393 -1.042 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001025928086 662539296 /nfs/dbraw/zinc/53/92/96/662539296.db2.gz ZYARXRRBUOZNLD-OQEOFVATSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001025928086 662539297 /nfs/dbraw/zinc/53/92/97/662539297.db2.gz ZYARXRRBUOZNLD-OQEOFVATSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001025928085 662539385 /nfs/dbraw/zinc/53/93/85/662539385.db2.gz ZYARXRRBUOZNLD-HKLXJQGRSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001025928085 662539387 /nfs/dbraw/zinc/53/93/87/662539387.db2.gz ZYARXRRBUOZNLD-HKLXJQGRSA-N 1 1 308.382 -1.177 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025938410 662539622 /nfs/dbraw/zinc/53/96/22/662539622.db2.gz XFJMIKJVGORHEZ-HKLXJQGRSA-N 1 1 308.382 -1.368 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC001025935080 662539645 /nfs/dbraw/zinc/53/96/45/662539645.db2.gz CTYJAIKLVGCIMU-ZRDGONRFSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC(=O)N1C ZINC001025935080 662539647 /nfs/dbraw/zinc/53/96/47/662539647.db2.gz CTYJAIKLVGCIMU-ZRDGONRFSA-N 1 1 308.382 -1.083 20 0 DAADMO NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001025936715 662539683 /nfs/dbraw/zinc/53/96/83/662539683.db2.gz BNGKUXGIGDXXIC-ZXPJVPCYSA-N 1 1 320.393 -1.223 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025935351 662539706 /nfs/dbraw/zinc/53/97/06/662539706.db2.gz BCNNACLTNWAJPN-HHHUMZEGSA-N 1 1 320.393 -1.068 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025938519 662539724 /nfs/dbraw/zinc/53/97/24/662539724.db2.gz ZUILMXDVPQKHLT-OBPIAQAESA-N 1 1 318.381 -1.127 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025938519 662539726 /nfs/dbraw/zinc/53/97/26/662539726.db2.gz ZUILMXDVPQKHLT-OBPIAQAESA-N 1 1 318.381 -1.127 20 0 DAADMO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025935353 662539784 /nfs/dbraw/zinc/53/97/84/662539784.db2.gz BCNNACLTNWAJPN-OVKLUEDNSA-N 1 1 320.393 -1.068 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025938411 662539811 /nfs/dbraw/zinc/53/98/11/662539811.db2.gz XFJMIKJVGORHEZ-OQEOFVATSA-N 1 1 308.382 -1.368 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001025958870 662540092 /nfs/dbraw/zinc/54/00/92/662540092.db2.gz ILRQRJGCEMQLSJ-RNWYCLNJSA-N 1 1 308.382 -1.354 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001025941603 662540208 /nfs/dbraw/zinc/54/02/08/662540208.db2.gz CSMVRPCKFROTND-JUJYEKSXSA-N 1 1 320.393 -1.164 20 0 DAADMO NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001025941130 662540214 /nfs/dbraw/zinc/54/02/14/662540214.db2.gz RMYAWZLBMGDFFY-KVSVUVNWSA-N 1 1 318.381 -1.164 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1=O ZINC001025958884 662540249 /nfs/dbraw/zinc/54/02/49/662540249.db2.gz KPVBTDUBAGBMPX-IEECTRCBSA-N 1 1 320.393 -1.258 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001025941602 662540284 /nfs/dbraw/zinc/54/02/84/662540284.db2.gz CSMVRPCKFROTND-GCJRFFTHSA-N 1 1 320.393 -1.164 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1=O ZINC001025941447 662540516 /nfs/dbraw/zinc/54/05/16/662540516.db2.gz LLWNJVJRUBARSD-IEECTRCBSA-N 1 1 320.393 -1.210 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001025967819 662540714 /nfs/dbraw/zinc/54/07/14/662540714.db2.gz DLEKQJWEGZBMNJ-ZTVLKNOQSA-N 1 1 308.382 -1.212 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001025965069 662540745 /nfs/dbraw/zinc/54/07/45/662540745.db2.gz PTGDKTOHVHBJMN-ZNXLTMBDSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001025965069 662540746 /nfs/dbraw/zinc/54/07/46/662540746.db2.gz PTGDKTOHVHBJMN-ZNXLTMBDSA-N 1 1 308.382 -1.177 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025958975 662540764 /nfs/dbraw/zinc/54/07/64/662540764.db2.gz ULEYKFDRJABSKR-HHHUOAJASA-N 1 1 306.366 -1.600 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC001025967818 662540776 /nfs/dbraw/zinc/54/07/76/662540776.db2.gz DLEKQJWEGZBMNJ-HMUNZLOLSA-N 1 1 308.382 -1.212 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025967881 662540780 /nfs/dbraw/zinc/54/07/80/662540780.db2.gz YDPJRPLLEYJNOS-OJROKELRSA-N 1 1 320.393 -1.068 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1=O ZINC001025958976 662540832 /nfs/dbraw/zinc/54/08/32/662540832.db2.gz ULEYKFDRJABSKR-PREPNJAASA-N 1 1 306.366 -1.600 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCNC1=O ZINC001026036166 662541090 /nfs/dbraw/zinc/54/10/90/662541090.db2.gz FCSRPZAIWCMRBW-DWJWARBKSA-N 1 1 308.382 -1.177 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025994301 662541142 /nfs/dbraw/zinc/54/11/42/662541142.db2.gz MMTSVJNMBUXPPS-KSFAHDSMSA-N 1 1 321.337 -2.481 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001026019718 662541153 /nfs/dbraw/zinc/54/11/53/662541153.db2.gz LPPKIZPTWMWHOD-GCCGGCASSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCCCC(=O)N1 ZINC001026033004 662541155 /nfs/dbraw/zinc/54/11/55/662541155.db2.gz HJFVYBIXILRSFO-XJBAAKRRSA-N 1 1 320.393 -1.020 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC001026033270 662541161 /nfs/dbraw/zinc/54/11/61/662541161.db2.gz YUNUFDYTKFAMHI-HMUNZLOLSA-N 1 1 308.382 -1.035 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC(=O)N1 ZINC001026033270 662541162 /nfs/dbraw/zinc/54/11/62/662541162.db2.gz YUNUFDYTKFAMHI-HMUNZLOLSA-N 1 1 308.382 -1.035 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001025994610 662541164 /nfs/dbraw/zinc/54/11/64/662541164.db2.gz WENPGWRDJLQJTR-HPENLJRUSA-N 1 1 307.354 -2.055 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CCNC1=O ZINC001026036810 662541345 /nfs/dbraw/zinc/54/13/45/662541345.db2.gz GEAZCLLRLVDDLL-OOPIDFETSA-N 1 1 320.393 -1.162 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001026036592 662541456 /nfs/dbraw/zinc/54/14/56/662541456.db2.gz UVXUAUZVQNAPRC-XMQPUEPBSA-N 1 1 320.393 -1.210 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC001026043803 662541484 /nfs/dbraw/zinc/54/14/84/662541484.db2.gz DYDFVNCTUHHJOP-ZXPJVPCYSA-N 1 1 319.413 -1.046 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3nnn(C)n3)C[C@H]21 ZINC001026044208 662541496 /nfs/dbraw/zinc/54/14/96/662541496.db2.gz LSUDWBKTCZQNIJ-SVPLCASGSA-N 1 1 319.413 -1.046 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CCNC1=O ZINC001026036815 662541564 /nfs/dbraw/zinc/54/15/64/662541564.db2.gz GEAZCLLRLVDDLL-OYFAQSGBSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCNC1=O ZINC001026036667 662541590 /nfs/dbraw/zinc/54/15/90/662541590.db2.gz BIXDLPYYJFVOFI-DWJWARBKSA-N 1 1 306.366 -1.553 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001026078048 662542004 /nfs/dbraw/zinc/54/20/04/662542004.db2.gz RPLVQPSLIXZMLJ-RWHSBRQSSA-N 1 1 310.354 -1.334 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026103176 662542041 /nfs/dbraw/zinc/54/20/41/662542041.db2.gz FMQDPUOZMYTAAX-HHHUMZEGSA-N 1 1 320.393 -1.020 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001026084118 662542065 /nfs/dbraw/zinc/54/20/65/662542065.db2.gz SMDQDDBOVPVOPS-VLLVSFFDSA-N 1 1 308.382 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001026084118 662542068 /nfs/dbraw/zinc/54/20/68/662542068.db2.gz SMDQDDBOVPVOPS-VLLVSFFDSA-N 1 1 308.382 -1.190 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026141416 662542076 /nfs/dbraw/zinc/54/20/76/662542076.db2.gz PHMJSCZZKQSTHU-AHRFKUBPSA-N 1 1 308.382 -1.083 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001026141416 662542080 /nfs/dbraw/zinc/54/20/80/662542080.db2.gz PHMJSCZZKQSTHU-AHRFKUBPSA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001026138971 662542111 /nfs/dbraw/zinc/54/21/11/662542111.db2.gz QCHPOKRYQTYNAB-GCHJQGSQSA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001026138971 662542115 /nfs/dbraw/zinc/54/21/15/662542115.db2.gz QCHPOKRYQTYNAB-GCHJQGSQSA-N 1 1 323.397 -1.160 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC001026143749 662542137 /nfs/dbraw/zinc/54/21/37/662542137.db2.gz HUADLOWFRVFMGZ-XPORZQOISA-N 1 1 308.382 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(=O)N1C ZINC001026143749 662542139 /nfs/dbraw/zinc/54/21/39/662542139.db2.gz HUADLOWFRVFMGZ-XPORZQOISA-N 1 1 308.382 -1.083 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)C1CC2(C1)NC(=O)NC2=O ZINC001026102736 662542172 /nfs/dbraw/zinc/54/21/72/662542172.db2.gz ACOKUIBACYCNST-NVKKWZCJSA-N 1 1 322.365 -1.597 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001026103005 662542200 /nfs/dbraw/zinc/54/22/00/662542200.db2.gz ZZFLRIKTHLUBLP-SDCWXVSXSA-N 1 1 322.365 -1.598 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001026084117 662542288 /nfs/dbraw/zinc/54/22/88/662542288.db2.gz SMDQDDBOVPVOPS-OQEOFVATSA-N 1 1 308.382 -1.190 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001026084117 662542290 /nfs/dbraw/zinc/54/22/90/662542290.db2.gz SMDQDDBOVPVOPS-OQEOFVATSA-N 1 1 308.382 -1.190 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001026103228 662542317 /nfs/dbraw/zinc/54/23/17/662542317.db2.gz AEJFXZUDPZQWKA-OVKLUEDNSA-N 1 1 320.393 -1.068 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)C1CC2(C1)NC(=O)NC2=O ZINC001026102989 662542338 /nfs/dbraw/zinc/54/23/38/662542338.db2.gz YCTUDMGKTQZHMT-FGSHSYPDSA-N 1 1 310.329 -1.010 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)C1CC2(C1)NC(=O)NC2=O ZINC001026102989 662542339 /nfs/dbraw/zinc/54/23/39/662542339.db2.gz YCTUDMGKTQZHMT-FGSHSYPDSA-N 1 1 310.329 -1.010 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001026102825 662542354 /nfs/dbraw/zinc/54/23/54/662542354.db2.gz OORDWECHKWPTTF-NVKKWZCJSA-N 1 1 322.365 -1.333 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001026101207 662542402 /nfs/dbraw/zinc/54/24/02/662542402.db2.gz CNKICSJIVZUDHO-HHHUOAJASA-N 1 1 317.411 -1.553 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001026103226 662542450 /nfs/dbraw/zinc/54/24/50/662542450.db2.gz AEJFXZUDPZQWKA-HHHUMZEGSA-N 1 1 320.393 -1.068 20 0 DAADMO CC(=O)N1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000725885126 662542655 /nfs/dbraw/zinc/54/26/55/662542655.db2.gz CGXJAWXCASHJFX-UHFFFAOYSA-N 1 1 312.414 -1.011 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143925 662542671 /nfs/dbraw/zinc/54/26/71/662542671.db2.gz MWXXAIKIBXFOQU-AHRFKUBPSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026143925 662542673 /nfs/dbraw/zinc/54/26/73/662542673.db2.gz MWXXAIKIBXFOQU-AHRFKUBPSA-N 1 1 324.381 -1.846 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001026146835 662542678 /nfs/dbraw/zinc/54/26/78/662542678.db2.gz YWTQDIZEWLSLBY-PREPNJAASA-N 1 1 317.411 -1.241 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141705 662542916 /nfs/dbraw/zinc/54/29/16/662542916.db2.gz KPMBKGBCNFLLBT-TURJHENQSA-N 1 1 320.349 -1.883 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146779 662542977 /nfs/dbraw/zinc/54/29/77/662542977.db2.gz MRPFFXQFOWDQOI-GCHJQGSQSA-N 1 1 317.411 -1.241 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001026141735 662542998 /nfs/dbraw/zinc/54/29/98/662542998.db2.gz NEKFZJCVUKPSRY-VGDATSSVSA-N 1 1 306.366 -1.458 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001026146829 662543110 /nfs/dbraw/zinc/54/31/10/662543110.db2.gz WPBVMVUTUBQYBM-QUARPLMYSA-N 1 1 303.384 -1.895 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026142949 662543211 /nfs/dbraw/zinc/54/32/11/662543211.db2.gz QUSRPRJXIXLMAF-PDWCTOEPSA-N 1 1 320.393 -1.210 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)C1 ZINC001026147805 662543220 /nfs/dbraw/zinc/54/32/20/662543220.db2.gz OHNJMQLVQBXBBQ-IEECTRCBSA-N 1 1 310.398 -1.373 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026153793 662543336 /nfs/dbraw/zinc/54/33/36/662543336.db2.gz SMMLYGHHYFIHHH-LVEVGFFFSA-N 1 1 321.381 -1.536 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026147885 662543367 /nfs/dbraw/zinc/54/33/67/662543367.db2.gz WPURBSJGZJHCHX-MEBFFEOJSA-N 1 1 322.409 -1.358 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21)N1CCOCC1 ZINC001026154597 662543397 /nfs/dbraw/zinc/54/33/97/662543397.db2.gz UOQZNGNHIFMLEV-JZRPKSSGSA-N 1 1 310.398 -1.373 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21)N1CCOCC1 ZINC001026154597 662543399 /nfs/dbraw/zinc/54/33/99/662543399.db2.gz UOQZNGNHIFMLEV-JZRPKSSGSA-N 1 1 310.398 -1.373 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026154872 662543411 /nfs/dbraw/zinc/54/34/11/662543411.db2.gz ZZZSATXERVMYPU-HQUHEKEPSA-N 1 1 320.349 -2.026 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001026154813 662543557 /nfs/dbraw/zinc/54/35/57/662543557.db2.gz UDSGWQKUNLZGFB-NKGMTQDZSA-N 1 1 322.365 -1.651 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001026153810 662543576 /nfs/dbraw/zinc/54/35/76/662543576.db2.gz YRPBZRUQPKYIAU-LVEVGFFFSA-N 1 1 323.397 -1.160 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCOCC1 ZINC001026154586 662543586 /nfs/dbraw/zinc/54/35/86/662543586.db2.gz SNJMEPAJXWDLGS-BJJPWKGXSA-N 1 1 324.425 -1.112 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026153792 662543592 /nfs/dbraw/zinc/54/35/92/662543592.db2.gz SMMLYGHHYFIHHH-KZZRWZIVSA-N 1 1 321.381 -1.536 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973865030 662544493 /nfs/dbraw/zinc/54/44/93/662544493.db2.gz LLPFYZLSPUCQRG-GRYCIOLGSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973861538 662544567 /nfs/dbraw/zinc/54/45/67/662544567.db2.gz QVIYHNKTDVXRGK-OUAUKWLOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000973861538 662544568 /nfs/dbraw/zinc/54/45/68/662544568.db2.gz QVIYHNKTDVXRGK-OUAUKWLOSA-N 1 1 323.357 -2.233 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000973878788 662544905 /nfs/dbraw/zinc/54/49/05/662544905.db2.gz HFTNAXVLCASPKK-XQQFMLRXSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000973878788 662544907 /nfs/dbraw/zinc/54/49/07/662544907.db2.gz HFTNAXVLCASPKK-XQQFMLRXSA-N 1 1 321.381 -1.023 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000973949947 662545834 /nfs/dbraw/zinc/54/58/34/662545834.db2.gz HIFAUPCVFAKPSI-NNYUYHANSA-N 1 1 308.382 -1.020 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973960100 662546310 /nfs/dbraw/zinc/54/63/10/662546310.db2.gz UHNWYWRNWNMWEK-VLEAKVRGSA-N 1 1 309.370 -1.475 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000947671078 662546590 /nfs/dbraw/zinc/54/65/90/662546590.db2.gz KSYGOAPJXOAHRW-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973989191 662546746 /nfs/dbraw/zinc/54/67/46/662546746.db2.gz OWNRFLOCTBSAHC-USZNOCQGSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973989191 662546747 /nfs/dbraw/zinc/54/67/47/662546747.db2.gz OWNRFLOCTBSAHC-USZNOCQGSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973989194 662546831 /nfs/dbraw/zinc/54/68/31/662546831.db2.gz OWNRFLOCTBSAHC-WHOHXGKFSA-N 1 1 324.381 -1.784 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000973989194 662546834 /nfs/dbraw/zinc/54/68/34/662546834.db2.gz OWNRFLOCTBSAHC-WHOHXGKFSA-N 1 1 324.381 -1.784 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000947671084 662546906 /nfs/dbraw/zinc/54/69/06/662546906.db2.gz KSYGOAPJXOAHRW-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000973967574 662546924 /nfs/dbraw/zinc/54/69/24/662546924.db2.gz VBADJCSIYWHGDH-KXUCPTDWSA-N 1 1 307.358 -1.319 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000973998157 662547489 /nfs/dbraw/zinc/54/74/89/662547489.db2.gz HPJSOWLSHBVPAA-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000973998157 662547491 /nfs/dbraw/zinc/54/74/91/662547491.db2.gz HPJSOWLSHBVPAA-UMNHJUIQSA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000974001349 662547499 /nfs/dbraw/zinc/54/74/99/662547499.db2.gz VXKYTWOTJYHCMY-AXFHLTTASA-N 1 1 322.369 -1.477 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000974001349 662547500 /nfs/dbraw/zinc/54/75/00/662547500.db2.gz VXKYTWOTJYHCMY-AXFHLTTASA-N 1 1 322.369 -1.477 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000974052645 662548738 /nfs/dbraw/zinc/54/87/38/662548738.db2.gz MKFDDCMRKGFKMO-MXWKQRLJSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974161555 662552363 /nfs/dbraw/zinc/55/23/63/662552363.db2.gz ANTMJIXYRJSDKM-WISYIIOYSA-N 1 1 321.385 -1.366 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974161557 662552607 /nfs/dbraw/zinc/55/26/07/662552607.db2.gz ANTMJIXYRJSDKM-YFKTTZPYSA-N 1 1 321.385 -1.366 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974166540 662552989 /nfs/dbraw/zinc/55/29/89/662552989.db2.gz PTRNGTYISTUCQF-GRYCIOLGSA-N 1 1 321.385 -1.079 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974166541 662553231 /nfs/dbraw/zinc/55/32/31/662553231.db2.gz PTRNGTYISTUCQF-TUAOUCFPSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC000947310322 662556185 /nfs/dbraw/zinc/55/61/85/662556185.db2.gz PFTUDDFLCABQKH-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1nccc1CC[NH+]1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000949948647 662558110 /nfs/dbraw/zinc/55/81/10/662558110.db2.gz UOLVENQNVUZMQM-LBPRGKRZSA-N 1 1 306.370 -1.212 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000974370723 662560383 /nfs/dbraw/zinc/56/03/83/662560383.db2.gz WVNMNWHMQXJABK-MMWGEVLESA-N 1 1 321.385 -1.215 20 0 DAADMO Cn1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001026561808 662560891 /nfs/dbraw/zinc/56/08/91/662560891.db2.gz YBPUBIPIWVKCGU-LXKPXOPUSA-N 1 1 321.385 -1.152 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC001026672971 662561256 /nfs/dbraw/zinc/56/12/56/662561256.db2.gz VOHMMZRUPFJCBC-VIFPVBQESA-N 1 1 306.334 -2.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522765 662561725 /nfs/dbraw/zinc/56/17/25/662561725.db2.gz RDCPUYOAGUVDGU-VHSXEESVSA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)C(C)(C)C2)C1 ZINC001008522765 662561729 /nfs/dbraw/zinc/56/17/29/662561729.db2.gz RDCPUYOAGUVDGU-VHSXEESVSA-N 1 1 312.370 -1.845 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001026698720 662562000 /nfs/dbraw/zinc/56/20/00/662562000.db2.gz NSPYYPQUBIEBTD-MNOVXSKESA-N 1 1 310.358 -1.436 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001026732873 662562458 /nfs/dbraw/zinc/56/24/58/662562458.db2.gz GTPJDKPKGGMTRU-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001026749434 662562556 /nfs/dbraw/zinc/56/25/56/662562556.db2.gz IHLHUVDOHDVCCV-NWDGAFQWSA-N 1 1 323.401 -1.521 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473598 662562805 /nfs/dbraw/zinc/56/28/05/662562805.db2.gz TXYDGAQZQRKBHS-JTQLQIEISA-N 1 1 324.385 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473598 662562808 /nfs/dbraw/zinc/56/28/08/662562808.db2.gz TXYDGAQZQRKBHS-JTQLQIEISA-N 1 1 324.385 -1.102 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473192 662562860 /nfs/dbraw/zinc/56/28/60/662562860.db2.gz SCTLCMFKVKXESQ-RKDXNWHRSA-N 1 1 310.358 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)C(C)(C)C1 ZINC000974473192 662562863 /nfs/dbraw/zinc/56/28/63/662562863.db2.gz SCTLCMFKVKXESQ-RKDXNWHRSA-N 1 1 310.358 -1.316 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CCn3ccnn3)C2)n1 ZINC001026807910 662563372 /nfs/dbraw/zinc/56/33/72/662563372.db2.gz UEQTTWLJSJUIFT-LLVKDONJSA-N 1 1 319.373 -1.170 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)n1 ZINC001026792158 662563537 /nfs/dbraw/zinc/56/35/37/662563537.db2.gz RLBJMQHZUWUUCO-NEPJUHHUSA-N 1 1 323.401 -1.521 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CN=NC3=O)C2)n1 ZINC001026793412 662563539 /nfs/dbraw/zinc/56/35/39/662563539.db2.gz BSKLGCHZYNYHBS-SECBINFHSA-N 1 1 321.345 -1.855 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC001026809326 662563900 /nfs/dbraw/zinc/56/39/00/662563900.db2.gz VXOZGVSQLAWUNW-NSHDSACASA-N 1 1 321.385 -1.374 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001026820436 662564039 /nfs/dbraw/zinc/56/40/39/662564039.db2.gz MRPNASIJPPVKJN-SECBINFHSA-N 1 1 305.346 -1.410 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974596751 662564301 /nfs/dbraw/zinc/56/43/01/662564301.db2.gz VZNGZBGWPDHCFI-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974596751 662564305 /nfs/dbraw/zinc/56/43/05/662564305.db2.gz VZNGZBGWPDHCFI-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC000974597468 662564608 /nfs/dbraw/zinc/56/46/08/662564608.db2.gz FFEZXZPRYZBGTP-NXEZZACHSA-N 1 1 324.385 -1.416 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602719 662564624 /nfs/dbraw/zinc/56/46/24/662564624.db2.gz LYYIDMCENPRADD-VHSXEESVSA-N 1 1 309.374 -1.366 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974602719 662564629 /nfs/dbraw/zinc/56/46/29/662564629.db2.gz LYYIDMCENPRADD-VHSXEESVSA-N 1 1 309.374 -1.366 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC001026825864 662564754 /nfs/dbraw/zinc/56/47/54/662564754.db2.gz RJGNQSFUDBMQCR-VIFPVBQESA-N 1 1 305.346 -1.410 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)n1 ZINC001026841033 662564927 /nfs/dbraw/zinc/56/49/27/662564927.db2.gz BGYXIKOUUXYFKA-RYUDHWBXSA-N 1 1 324.385 -1.046 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607856 662565075 /nfs/dbraw/zinc/56/50/75/662565075.db2.gz WRRSFXYKLTVSLF-MNOVXSKESA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cn3ncnn3)C(C)(C)C2)C1=O ZINC000974607856 662565076 /nfs/dbraw/zinc/56/50/76/662565076.db2.gz WRRSFXYKLTVSLF-MNOVXSKESA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974607864 662565081 /nfs/dbraw/zinc/56/50/81/662565081.db2.gz WRSSLODBSFVXSI-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974607864 662565082 /nfs/dbraw/zinc/56/50/82/662565082.db2.gz WRSSLODBSFVXSI-SNVBAGLBSA-N 1 1 309.374 -1.412 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600456 662565255 /nfs/dbraw/zinc/56/52/55/662565255.db2.gz GYRLGQWNWSWDEY-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600456 662565257 /nfs/dbraw/zinc/56/52/57/662565257.db2.gz GYRLGQWNWSWDEY-VHSXEESVSA-N 1 1 309.374 -1.236 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001026876031 662565951 /nfs/dbraw/zinc/56/59/51/662565951.db2.gz VLSRNOMDKMPYPC-MNOVXSKESA-N 1 1 321.385 -1.374 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@H+](C)[C@H](CO)C1)C(C)C ZINC000931399464 662566101 /nfs/dbraw/zinc/56/61/01/662566101.db2.gz QSTQTJXINYQPMZ-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO COC(=O)[C@@H](NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1)C(C)C ZINC000931399464 662566102 /nfs/dbraw/zinc/56/61/02/662566102.db2.gz QSTQTJXINYQPMZ-AAEUAGOBSA-N 1 1 301.387 -1.092 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001026909674 662566424 /nfs/dbraw/zinc/56/64/24/662566424.db2.gz XMYOLYJLXFQWMQ-VIFPVBQESA-N 1 1 318.341 -1.042 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001026984841 662567476 /nfs/dbraw/zinc/56/74/76/662567476.db2.gz AVAAFOLUXAIAGY-SECBINFHSA-N 1 1 305.346 -1.111 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n1 ZINC001026988050 662567553 /nfs/dbraw/zinc/56/75/53/662567553.db2.gz XFEMPRGMRBFXDG-UWVGGRQHSA-N 1 1 307.358 -1.716 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)n1 ZINC001026970358 662567611 /nfs/dbraw/zinc/56/76/11/662567611.db2.gz OGYDRKWVFKRGQK-IINYFYTJSA-N 1 1 321.385 -1.326 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)n1 ZINC001027025470 662569182 /nfs/dbraw/zinc/56/91/82/662569182.db2.gz FDAFRQGGDGKHLF-SECBINFHSA-N 1 1 318.341 -1.455 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)C(C)(C)C1 ZINC000974917603 662569817 /nfs/dbraw/zinc/56/98/17/662569817.db2.gz CCJVLXARCIMPKR-NEPJUHHUSA-N 1 1 312.414 -1.374 20 0 DAADMO CC(C)(C)n1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027032816 662569903 /nfs/dbraw/zinc/56/99/03/662569903.db2.gz CJLDQFOZKJFUOG-VIFPVBQESA-N 1 1 309.374 -1.149 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)n1 ZINC001027060869 662572304 /nfs/dbraw/zinc/57/23/04/662572304.db2.gz PMJCITPQULKMOU-QMTHXVAHSA-N 1 1 321.385 -1.326 20 0 DAADMO CC1(C)C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974997334 662572360 /nfs/dbraw/zinc/57/23/60/662572360.db2.gz POAQHKKVGUCSTP-GHMZBOCLSA-N 1 1 321.385 -1.214 20 0 DAADMO CC1(C)C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC000975001236 662572739 /nfs/dbraw/zinc/57/27/39/662572739.db2.gz BJOMPCLANOMSDR-WDEREUQCSA-N 1 1 309.370 -1.444 20 0 DAADMO CC1(C)C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974991346 662572982 /nfs/dbraw/zinc/57/29/82/662572982.db2.gz DNIOAYNLMKXSSL-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974991346 662572986 /nfs/dbraw/zinc/57/29/86/662572986.db2.gz DNIOAYNLMKXSSL-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000975003929 662573090 /nfs/dbraw/zinc/57/30/90/662573090.db2.gz GUFGRSVWYMVDQY-MRVPVSSYSA-N 1 1 311.342 -2.150 20 0 DAADMO CC1(C)C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C(N)=O ZINC000975003929 662573092 /nfs/dbraw/zinc/57/30/92/662573092.db2.gz GUFGRSVWYMVDQY-MRVPVSSYSA-N 1 1 311.342 -2.150 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1NC(=O)C(N)=O ZINC000975001223 662573115 /nfs/dbraw/zinc/57/31/15/662573115.db2.gz BJOMPCLANOMSDR-MNOVXSKESA-N 1 1 309.370 -1.444 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)c(=O)n(C)c1=O ZINC000975112474 662573138 /nfs/dbraw/zinc/57/31/38/662573138.db2.gz KEBCYHHIBWIGCQ-LLVKDONJSA-N 1 1 324.381 -1.484 20 0 DAADMO O=S1(=O)C[C@H]([NH2+]CC2OCCO2)[C@@H](N2CCOCC2)C1 ZINC000777615395 662573195 /nfs/dbraw/zinc/57/31/95/662573195.db2.gz IRLYILPMISKSPI-QWRGUYRKSA-N 1 1 306.384 -1.553 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001027118037 662573607 /nfs/dbraw/zinc/57/36/07/662573607.db2.gz KHXOHAOSNYVRLP-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000975226895 662573666 /nfs/dbraw/zinc/57/36/66/662573666.db2.gz VEERIXYWVAUELB-IJLUTSLNSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cncn3)C2)n1 ZINC001027204819 662576015 /nfs/dbraw/zinc/57/60/15/662576015.db2.gz SSGCLTORLCNFMN-JTQLQIEISA-N 1 1 305.346 -1.560 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001006684835 662576089 /nfs/dbraw/zinc/57/60/89/662576089.db2.gz NLIUYUFWPGJIMV-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001006684835 662576092 /nfs/dbraw/zinc/57/60/92/662576092.db2.gz NLIUYUFWPGJIMV-ZJUUUORDSA-N 1 1 321.341 -1.941 20 0 DAADMO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001006682704 662576158 /nfs/dbraw/zinc/57/61/58/662576158.db2.gz IEJGURZYDKAWGI-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1)C1CC1 ZINC001006682704 662576161 /nfs/dbraw/zinc/57/61/61/662576161.db2.gz IEJGURZYDKAWGI-NSHDSACASA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689723 662576446 /nfs/dbraw/zinc/57/64/46/662576446.db2.gz DFQSIRDJEXWWLG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001006689723 662576448 /nfs/dbraw/zinc/57/64/48/662576448.db2.gz DFQSIRDJEXWWLG-MNOVXSKESA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006694533 662576920 /nfs/dbraw/zinc/57/69/20/662576920.db2.gz PQJNXJQGVFEFPA-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006694533 662576923 /nfs/dbraw/zinc/57/69/23/662576923.db2.gz PQJNXJQGVFEFPA-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006696178 662577062 /nfs/dbraw/zinc/57/70/62/662577062.db2.gz SLPZZHDBIFCDGB-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006696178 662577063 /nfs/dbraw/zinc/57/70/63/662577063.db2.gz SLPZZHDBIFCDGB-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291159 662577352 /nfs/dbraw/zinc/57/73/52/662577352.db2.gz KGUMCJSDHLMXEF-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291159 662577355 /nfs/dbraw/zinc/57/73/55/662577355.db2.gz KGUMCJSDHLMXEF-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+]([C@@H]1CCCNC1=O)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027289830 662577414 /nfs/dbraw/zinc/57/74/14/662577414.db2.gz KFLDYPUZHVOGKY-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027290724 662577572 /nfs/dbraw/zinc/57/75/72/662577572.db2.gz BZMJUVUJQYJHAQ-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384125 662579676 /nfs/dbraw/zinc/57/96/76/662579676.db2.gz ULVXUDMOSJTYGA-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)c(=O)n1C ZINC001009384125 662579677 /nfs/dbraw/zinc/57/96/77/662579677.db2.gz ULVXUDMOSJTYGA-ONGXEEELSA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2COCCO2)C1 ZINC000976204458 662579896 /nfs/dbraw/zinc/57/98/96/662579896.db2.gz IGYGAJGYOVXQBT-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)C1 ZINC000976198288 662580468 /nfs/dbraw/zinc/58/04/68/662580468.db2.gz CARAIIWNGMZHCJ-QNWHQSFQSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]c2)C1 ZINC000976198288 662580471 /nfs/dbraw/zinc/58/04/71/662580471.db2.gz CARAIIWNGMZHCJ-QNWHQSFQSA-N 1 1 319.365 -1.073 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458716 662581705 /nfs/dbraw/zinc/58/17/05/662581705.db2.gz LXZNMSLYOYSCAT-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009458716 662581709 /nfs/dbraw/zinc/58/17/09/662581709.db2.gz LXZNMSLYOYSCAT-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]21 ZINC000976275462 662581718 /nfs/dbraw/zinc/58/17/18/662581718.db2.gz VAHBGGFQPMTYNU-RNWYCLNJSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC000976268674 662582251 /nfs/dbraw/zinc/58/22/51/662582251.db2.gz LCTPDAQDGQBRMF-WHOHXGKFSA-N 1 1 320.393 -1.081 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnon4)C[C@H]32)C1 ZINC000976311924 662582488 /nfs/dbraw/zinc/58/24/88/662582488.db2.gz PNOJMCBCIFHQDW-DMWPJOQESA-N 1 1 321.337 -1.413 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cnon4)C[C@H]32)C1 ZINC000976311924 662582493 /nfs/dbraw/zinc/58/24/93/662582493.db2.gz PNOJMCBCIFHQDW-DMWPJOQESA-N 1 1 321.337 -1.413 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000976304347 662582517 /nfs/dbraw/zinc/58/25/17/662582517.db2.gz HHTORIQTEMYSSS-IEECTRCBSA-N 1 1 311.382 -1.075 20 0 DAADMO CO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000976304347 662582522 /nfs/dbraw/zinc/58/25/22/662582522.db2.gz HHTORIQTEMYSSS-IEECTRCBSA-N 1 1 311.382 -1.075 20 0 DAADMO C[N@@H+]([C@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001027341291 662582587 /nfs/dbraw/zinc/58/25/87/662582587.db2.gz LHRXIKFIVOBWLT-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]32)C1 ZINC000976303362 662582597 /nfs/dbraw/zinc/58/25/97/662582597.db2.gz DDMAEAASVDPHLI-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]32)C1 ZINC000976303362 662582598 /nfs/dbraw/zinc/58/25/98/662582598.db2.gz DDMAEAASVDPHLI-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001027340775 662583032 /nfs/dbraw/zinc/58/30/32/662583032.db2.gz FRZGZDQCMKZILC-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COC(=O)N1 ZINC000976430502 662583614 /nfs/dbraw/zinc/58/36/14/662583614.db2.gz GLCRIYARDHIUTN-KZZRWZIVSA-N 1 1 322.365 -1.238 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000976437020 662584779 /nfs/dbraw/zinc/58/47/79/662584779.db2.gz CLAYXVVXJKHJFI-HHHUOAJASA-N 1 1 322.365 -1.381 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC000976455243 662585220 /nfs/dbraw/zinc/58/52/20/662585220.db2.gz XXBGZZXXGOXHBG-GMTAPVOTSA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1 ZINC000976455243 662585223 /nfs/dbraw/zinc/58/52/23/662585223.db2.gz XXBGZZXXGOXHBG-GMTAPVOTSA-N 1 1 312.370 -1.654 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]32)nn1 ZINC000976452930 662585234 /nfs/dbraw/zinc/58/52/34/662585234.db2.gz UUMXSRMQGLQLGE-MEWQQHAOSA-N 1 1 318.381 -1.047 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)C1 ZINC000976472738 662585636 /nfs/dbraw/zinc/58/56/36/662585636.db2.gz QYWIIIQMCPMLIK-WHOHXGKFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)C1 ZINC000976472738 662585637 /nfs/dbraw/zinc/58/56/37/662585637.db2.gz QYWIIIQMCPMLIK-WHOHXGKFSA-N 1 1 319.365 -1.073 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027375119 662585753 /nfs/dbraw/zinc/58/57/53/662585753.db2.gz SQNLOXDLUPUUEA-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000976506804 662585883 /nfs/dbraw/zinc/58/58/83/662585883.db2.gz FJKSXVWCWUWPGI-FHUSYTEZSA-N 1 1 320.393 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001027377303 662586101 /nfs/dbraw/zinc/58/61/01/662586101.db2.gz KBWPPKNGNBQVAU-VHSXEESVSA-N 1 1 310.358 -1.220 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4COCCO4)C[C@H]32)C1 ZINC000976534935 662586271 /nfs/dbraw/zinc/58/62/71/662586271.db2.gz HVYOPDWNYHUAQE-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4ncnn4)C[C@H]32)C1 ZINC000976535893 662586282 /nfs/dbraw/zinc/58/62/82/662586282.db2.gz HMBBRRAXZLDQGJ-MEWQQHAOSA-N 1 1 319.369 -1.802 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000976531994 662586287 /nfs/dbraw/zinc/58/62/87/662586287.db2.gz IXHYDWYZSSTRRU-UKKRHICBSA-N 1 1 319.369 -1.652 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cncn4)C[C@H]32)C1 ZINC000976544347 662586644 /nfs/dbraw/zinc/58/66/44/662586644.db2.gz GWAPNLGFULHYLN-NMKXLXIOSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@@H+]([C@H]1CCCN(C(=O)Cn2ncnn2)C1)[C@H]1CCCNC1=O ZINC001027411230 662588346 /nfs/dbraw/zinc/58/83/46/662588346.db2.gz BRYIXFKXCNIEBU-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412629 662588843 /nfs/dbraw/zinc/58/88/43/662588843.db2.gz SVHPVZZXOREYCH-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027412629 662588846 /nfs/dbraw/zinc/58/88/46/662588846.db2.gz SVHPVZZXOREYCH-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000976786682 662589913 /nfs/dbraw/zinc/58/99/13/662589913.db2.gz CAFNTYKFZJEMGP-BBGACYKPSA-N 1 1 308.382 -1.081 20 0 DAADMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001009638480 662591248 /nfs/dbraw/zinc/59/12/48/662591248.db2.gz STTQCCIOABXDOH-SNVBAGLBSA-N 1 1 310.358 -1.396 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cn[nH]n2)C1 ZINC000976815407 662591267 /nfs/dbraw/zinc/59/12/67/662591267.db2.gz LUGXIMDZPPFGGE-UXCLJVHYSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn[nH]2)C1 ZINC000976815407 662591270 /nfs/dbraw/zinc/59/12/70/662591270.db2.gz LUGXIMDZPPFGGE-UXCLJVHYSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnn[nH]2)C1 ZINC000976815407 662591272 /nfs/dbraw/zinc/59/12/72/662591272.db2.gz LUGXIMDZPPFGGE-UXCLJVHYSA-N 1 1 304.354 -1.057 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433256 662591402 /nfs/dbraw/zinc/59/14/02/662591402.db2.gz VLLCCIBUMCPWEE-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1)N1C(=O)CCC1=O ZINC001027433256 662591403 /nfs/dbraw/zinc/59/14/03/662591403.db2.gz VLLCCIBUMCPWEE-GHMZBOCLSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646704 662591737 /nfs/dbraw/zinc/59/17/37/662591737.db2.gz FHASCSFINHZCDW-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001009646704 662591739 /nfs/dbraw/zinc/59/17/39/662591739.db2.gz FHASCSFINHZCDW-NXEZZACHSA-N 1 1 309.370 -1.208 20 0 DAADMO C[N@@H+](CCO)[C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001027433733 662591746 /nfs/dbraw/zinc/59/17/46/662591746.db2.gz CNEFFJVVCHPASD-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000976912794 662592298 /nfs/dbraw/zinc/59/22/98/662592298.db2.gz TXAWRKJZLFQQGE-SVPLCASGSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027443336 662592432 /nfs/dbraw/zinc/59/24/32/662592432.db2.gz IOPWHLCTKLZGEO-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC001027443336 662592433 /nfs/dbraw/zinc/59/24/33/662592433.db2.gz IOPWHLCTKLZGEO-NSHDSACASA-N 1 1 312.370 -1.747 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)cc1=O ZINC001027447256 662592451 /nfs/dbraw/zinc/59/24/51/662592451.db2.gz DXBBUYQZLGYESO-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1cnc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)cc1=O ZINC001027447256 662592452 /nfs/dbraw/zinc/59/24/52/662592452.db2.gz DXBBUYQZLGYESO-SNVBAGLBSA-N 1 1 307.354 -1.198 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC000976912796 662592473 /nfs/dbraw/zinc/59/24/73/662592473.db2.gz TXAWRKJZLFQQGE-XJBAAKRRSA-N 1 1 320.393 -1.068 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC2=O)C1 ZINC000976946943 662593658 /nfs/dbraw/zinc/59/36/58/662593658.db2.gz SUPRLFZUVPNBGB-KVSVUVNWSA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCNC2=O)C1 ZINC000976946942 662593911 /nfs/dbraw/zinc/59/39/11/662593911.db2.gz SUPRLFZUVPNBGB-JZRPKSSGSA-N 1 1 320.393 -1.353 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nnc[nH]2)C1 ZINC000976984430 662594350 /nfs/dbraw/zinc/59/43/50/662594350.db2.gz HJHFEAWEIXVUIR-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncn[nH]2)C1 ZINC000976984430 662594351 /nfs/dbraw/zinc/59/43/51/662594351.db2.gz HJHFEAWEIXVUIR-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncn[nH]2)C1 ZINC000976984430 662594353 /nfs/dbraw/zinc/59/43/53/662594353.db2.gz HJHFEAWEIXVUIR-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)C1 ZINC000976984430 662594354 /nfs/dbraw/zinc/59/43/54/662594354.db2.gz HJHFEAWEIXVUIR-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)C1 ZINC000976984430 662594356 /nfs/dbraw/zinc/59/43/56/662594356.db2.gz HJHFEAWEIXVUIR-ZNSHCXBVSA-N 1 1 304.354 -1.057 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977026943 662596009 /nfs/dbraw/zinc/59/60/09/662596009.db2.gz LTJQKJBHLHWDJZ-KXNHARMFSA-N 1 1 324.381 -1.846 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977026943 662596011 /nfs/dbraw/zinc/59/60/11/662596011.db2.gz LTJQKJBHLHWDJZ-KXNHARMFSA-N 1 1 324.381 -1.846 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CC[N@H+]1C ZINC000977026816 662596128 /nfs/dbraw/zinc/59/61/28/662596128.db2.gz SZTDBLWBXDNFNP-KKJSVHSVSA-N 1 1 308.382 -1.225 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977089529 662598468 /nfs/dbraw/zinc/59/84/68/662598468.db2.gz GDLJIDHKFDHTAU-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CC[N@H+]1C ZINC000977094340 662599171 /nfs/dbraw/zinc/59/91/71/662599171.db2.gz IFPCDJCLCYWPEX-PREPNJAASA-N 1 1 308.382 -1.225 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000977079495 662599612 /nfs/dbraw/zinc/59/96/12/662599612.db2.gz MXLYICMALYJBBC-IAZYJMLFSA-N 1 1 310.354 -2.233 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000977081679 662599881 /nfs/dbraw/zinc/59/98/81/662599881.db2.gz APTGPNRJRMOQQM-PREPNJAASA-N 1 1 321.381 -1.808 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000977081676 662599903 /nfs/dbraw/zinc/59/99/03/662599903.db2.gz APTGPNRJRMOQQM-HHHUOAJASA-N 1 1 321.381 -1.808 20 0 DAADMO CN1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)CC1=O ZINC001027472143 662600020 /nfs/dbraw/zinc/60/00/20/662600020.db2.gz ZIOBQHLDOUMPCY-CYBMUJFWSA-N 1 1 312.414 -1.325 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001027471272 662600385 /nfs/dbraw/zinc/60/03/85/662600385.db2.gz YSLWMVAASMRPFM-VXGBXAGGSA-N 1 1 311.386 -1.115 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC(N)=O)C[C@H]32)C1 ZINC000977203894 662600834 /nfs/dbraw/zinc/60/08/34/662600834.db2.gz LJPMCUSIVDMOAP-KIGUWFBYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC000977200148 662601156 /nfs/dbraw/zinc/60/11/56/662601156.db2.gz RBQNRQQRGKEFGR-OZWUEAAUSA-N 1 1 308.382 -1.081 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC000977222149 662601215 /nfs/dbraw/zinc/60/12/15/662601215.db2.gz FBVOVHNLELZATH-CZXHOFHRSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1 ZINC000977229951 662601496 /nfs/dbraw/zinc/60/14/96/662601496.db2.gz TXABTAREUWEQGN-NMKXLXIOSA-N 1 1 318.381 -1.197 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nc[nH]n2)C1 ZINC000977258102 662601903 /nfs/dbraw/zinc/60/19/03/662601903.db2.gz GWQWIJSGDRJRAB-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1 ZINC000977258102 662601904 /nfs/dbraw/zinc/60/19/04/662601904.db2.gz GWQWIJSGDRJRAB-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2nnc[nH]2)C1 ZINC000977258102 662601905 /nfs/dbraw/zinc/60/19/05/662601905.db2.gz GWQWIJSGDRJRAB-PUHVVEEASA-N 1 1 318.381 -1.128 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000977315817 662602469 /nfs/dbraw/zinc/60/24/69/662602469.db2.gz KRBVUEMRNJJAQD-KGXJWFGYSA-N 1 1 324.381 -1.207 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519771 662602714 /nfs/dbraw/zinc/60/27/14/662602714.db2.gz VWJNXXBDSCWANJ-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977362911 662602758 /nfs/dbraw/zinc/60/27/58/662602758.db2.gz MDWAYRLQEQURKG-NXEZZACHSA-N 1 1 312.370 -1.254 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001027519770 662602876 /nfs/dbraw/zinc/60/28/76/662602876.db2.gz VWJNXXBDSCWANJ-QWHCGFSZSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C[C@H]1CCN1C(=O)Cn1cnnn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000977463887 662603061 /nfs/dbraw/zinc/60/30/61/662603061.db2.gz CQXUVDBMNUPSBR-NEPJUHHUSA-N 1 1 321.385 -1.173 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC000977461614 662603190 /nfs/dbraw/zinc/60/31/90/662603190.db2.gz LKCKEUPYCGDSQF-JTQLQIEISA-N 1 1 320.353 -1.150 20 0 DAADMO CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000977483144 662603420 /nfs/dbraw/zinc/60/34/20/662603420.db2.gz FREHPYODADBFHJ-SNVBAGLBSA-N 1 1 312.370 -1.253 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977527198 662603644 /nfs/dbraw/zinc/60/36/44/662603644.db2.gz SDIPUGPVRNHCOU-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)c1nc[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977527198 662603646 /nfs/dbraw/zinc/60/36/46/662603646.db2.gz SDIPUGPVRNHCOU-MNOVXSKESA-N 1 1 322.369 -1.192 20 0 DAADMO CN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001027532967 662603662 /nfs/dbraw/zinc/60/36/62/662603662.db2.gz FZBNRHPIYQPBIF-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3nnn(C)n3)C2)C1=O ZINC001027532969 662603676 /nfs/dbraw/zinc/60/36/76/662603676.db2.gz FZBNRHPIYQPBIF-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977512084 662603702 /nfs/dbraw/zinc/60/37/02/662603702.db2.gz NZTKUCFVPLJJMH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977512084 662603704 /nfs/dbraw/zinc/60/37/04/662603704.db2.gz NZTKUCFVPLJJMH-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000977512082 662603879 /nfs/dbraw/zinc/60/38/79/662603879.db2.gz NZTKUCFVPLJJMH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCN1C(=O)CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000977512082 662603880 /nfs/dbraw/zinc/60/38/80/662603880.db2.gz NZTKUCFVPLJJMH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1=O ZINC000977564602 662604053 /nfs/dbraw/zinc/60/40/53/662604053.db2.gz HCERCWHUUTWCQR-JTQLQIEISA-N 1 1 312.370 -1.301 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C(C)(C)C1 ZINC000977568802 662604209 /nfs/dbraw/zinc/60/42/09/662604209.db2.gz QBWGNFXKFVLUOT-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C(C)(C)C1 ZINC000977568802 662604211 /nfs/dbraw/zinc/60/42/11/662604211.db2.gz QBWGNFXKFVLUOT-NSHDSACASA-N 1 1 321.381 -1.034 20 0 DAADMO CC1(C)C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977565027 662604349 /nfs/dbraw/zinc/60/43/49/662604349.db2.gz IKACAOPCSJJMTJ-MNOVXSKESA-N 1 1 306.370 -1.007 20 0 DAADMO CC1(C)C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1NC(=O)Cn1cncn1 ZINC000977565027 662604351 /nfs/dbraw/zinc/60/43/51/662604351.db2.gz IKACAOPCSJJMTJ-MNOVXSKESA-N 1 1 306.370 -1.007 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663295 662605479 /nfs/dbraw/zinc/60/54/79/662605479.db2.gz VIQIAONPNPLXOK-VHSXEESVSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977663295 662605480 /nfs/dbraw/zinc/60/54/80/662605480.db2.gz VIQIAONPNPLXOK-VHSXEESVSA-N 1 1 324.381 -1.388 20 0 DAADMO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553507 662605549 /nfs/dbraw/zinc/60/55/49/662605549.db2.gz ZGUVXCQBQDKRKH-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553507 662605551 /nfs/dbraw/zinc/60/55/51/662605551.db2.gz ZGUVXCQBQDKRKH-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553506 662605809 /nfs/dbraw/zinc/60/58/09/662605809.db2.gz ZGUVXCQBQDKRKH-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027553506 662605810 /nfs/dbraw/zinc/60/58/10/662605810.db2.gz ZGUVXCQBQDKRKH-MNOVXSKESA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552712 662605853 /nfs/dbraw/zinc/60/58/53/662605853.db2.gz ZMXMYLXBZGUYRF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027552712 662605854 /nfs/dbraw/zinc/60/58/54/662605854.db2.gz ZMXMYLXBZGUYRF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)[nH]n3)[C@@H]2C1 ZINC000977752109 662605969 /nfs/dbraw/zinc/60/59/69/662605969.db2.gz LSIAWMYJKDPYQQ-KYXWUPHJSA-N 1 1 305.338 -1.036 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000977958185 662607436 /nfs/dbraw/zinc/60/74/36/662607436.db2.gz PKRRGWUOJQTXMS-WISYIIOYSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977948103 662607523 /nfs/dbraw/zinc/60/75/23/662607523.db2.gz BFNYZWYWGXKMEG-FVCCEPFGSA-N 1 1 310.398 -1.643 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977953392 662607534 /nfs/dbraw/zinc/60/75/34/662607534.db2.gz JHSWAOSMFNNDBS-FQUUOJAGSA-N 1 1 324.425 -1.301 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969082 662607870 /nfs/dbraw/zinc/60/78/70/662607870.db2.gz JEOQPCJEIMSFCT-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cn[nH]n1 ZINC000977969082 662607871 /nfs/dbraw/zinc/60/78/71/662607871.db2.gz JEOQPCJEIMSFCT-PWSUYJOCSA-N 1 1 322.369 -1.192 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000936556027 662607898 /nfs/dbraw/zinc/60/78/98/662607898.db2.gz MUDFAQIVWFYEPO-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC000978061082 662608465 /nfs/dbraw/zinc/60/84/65/662608465.db2.gz MBNDPIGCRRITQV-FVCCEPFGSA-N 1 1 310.398 -1.643 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC000978056737 662608489 /nfs/dbraw/zinc/60/84/89/662608489.db2.gz GYLPBLQQLMBEOQ-YIYPIFLZSA-N 1 1 324.425 -1.301 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CN(C(C)=O)C3)[C@@H]2C1 ZINC000978078259 662608800 /nfs/dbraw/zinc/60/88/00/662608800.db2.gz QHWFICLWCBBITQ-JXJLXUTGSA-N 1 1 322.409 -1.107 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1)N1CCC1 ZINC000978104113 662608837 /nfs/dbraw/zinc/60/88/37/662608837.db2.gz CUGSCMKTWVIAEL-YFKTTZPYSA-N 1 1 322.365 -1.379 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncn(C)n3)[C@@H]2C1 ZINC000978090466 662609099 /nfs/dbraw/zinc/60/90/99/662609099.db2.gz BOAQTSLHQCFZKH-CHWFTXMASA-N 1 1 306.370 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC000978114901 662609277 /nfs/dbraw/zinc/60/92/77/662609277.db2.gz RKOYQQQSVOBPIN-MMWGEVLESA-N 1 1 310.354 -1.523 20 0 DAADMO Cn1oc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)cc1=O ZINC000978108464 662609469 /nfs/dbraw/zinc/60/94/69/662609469.db2.gz MXQCTMCKMBNLQM-MMWGEVLESA-N 1 1 320.349 -1.226 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC000978106519 662609613 /nfs/dbraw/zinc/60/96/13/662609613.db2.gz JKOBRRJSUHFNQX-KYXWUPHJSA-N 1 1 308.338 -1.240 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC000978106510 662609668 /nfs/dbraw/zinc/60/96/68/662609668.db2.gz JKOBRRJSUHFNQX-AATLWQCWSA-N 1 1 308.338 -1.240 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n1 ZINC000978106663 662609687 /nfs/dbraw/zinc/60/96/87/662609687.db2.gz ZURJSDQFWUYOIW-WISYIIOYSA-N 1 1 318.381 -1.047 20 0 DAADMO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC000978188157 662610239 /nfs/dbraw/zinc/61/02/39/662610239.db2.gz HBFNXGALXQRNDY-GHMZBOCLSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)c1nnn(C)n1 ZINC000978188164 662610420 /nfs/dbraw/zinc/61/04/20/662610420.db2.gz HBFNXGALXQRNDY-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)C1CS(=O)(=O)C1 ZINC000978199386 662611003 /nfs/dbraw/zinc/61/10/03/662611003.db2.gz DPGIEPZOPOFKDR-CNDDSTCGSA-N 1 1 302.396 -1.293 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccn4nnnc34)[C@@H]2C1 ZINC000978209337 662611448 /nfs/dbraw/zinc/61/14/48/662611448.db2.gz WZNZKXWTGMKTFX-RTCCRHLQSA-N 1 1 315.337 -1.483 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)[C@@H]2C1 ZINC000978227536 662611465 /nfs/dbraw/zinc/61/14/65/662611465.db2.gz FGTLPXRHZBQDKU-FIQHERPVSA-N 1 1 308.382 -1.495 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4n(n3)CCO4)[C@@H]2C1 ZINC000978274033 662612091 /nfs/dbraw/zinc/61/20/91/662612091.db2.gz HUSMTCULYSYONV-RTCCRHLQSA-N 1 1 319.365 -1.071 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnc4n[nH]nc4c3)[C@@H]2C1 ZINC000978277256 662612122 /nfs/dbraw/zinc/61/21/22/662612122.db2.gz NRUYVMINSZFISA-OWUUHHOZSA-N 1 1 315.337 -1.254 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC000978287447 662612134 /nfs/dbraw/zinc/61/21/34/662612134.db2.gz KJNJZQSKDLVYHS-DBIOUOCHSA-N 1 1 319.365 -1.438 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(=O)n(C)cn3)[C@@H]2C1 ZINC000978306661 662612420 /nfs/dbraw/zinc/61/24/20/662612420.db2.gz NPKRIYCCAFWBRS-RTCCRHLQSA-N 1 1 319.365 -1.566 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc4n(n3)CCO4)[C@@H]2C1 ZINC000978302958 662612448 /nfs/dbraw/zinc/61/24/48/662612448.db2.gz QZYBOXNHRPAJPM-OWUUHHOZSA-N 1 1 305.338 -1.332 20 0 DAADMO CN1CC[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)S1(=O)=O ZINC001027613489 662612884 /nfs/dbraw/zinc/61/28/84/662612884.db2.gz YGEVEAUUUXKLBY-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1cn[nH]n1 ZINC000978381605 662613121 /nfs/dbraw/zinc/61/31/21/662613121.db2.gz ARSXFQVCJRVESE-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978381605 662613123 /nfs/dbraw/zinc/61/31/23/662613123.db2.gz ARSXFQVCJRVESE-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000978381605 662613124 /nfs/dbraw/zinc/61/31/24/662613124.db2.gz ARSXFQVCJRVESE-RTCCRHLQSA-N 1 1 319.369 -1.263 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000978399345 662613353 /nfs/dbraw/zinc/61/33/53/662613353.db2.gz ZMPUPLWJKMVMCG-FIQHERPVSA-N 1 1 308.382 -1.366 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000978432285 662613934 /nfs/dbraw/zinc/61/39/34/662613934.db2.gz VSDSUGINAJFZFA-CNDDSTCGSA-N 1 1 304.350 -1.222 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC000978437606 662614012 /nfs/dbraw/zinc/61/40/12/662614012.db2.gz OUHNNESZCATNOW-FIQHERPVSA-N 1 1 323.397 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC(=O)CC3)[C@@H]2C1 ZINC000978548449 662614261 /nfs/dbraw/zinc/61/42/61/662614261.db2.gz NQVJYSVLBADNLJ-ZDEQEGDKSA-N 1 1 322.409 -1.057 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCNC3=O)[C@@H]2C1)N1CCC1 ZINC000978586619 662614613 /nfs/dbraw/zinc/61/46/13/662614613.db2.gz TZQNVNYOVPUJAS-LPWJVIDDSA-N 1 1 320.393 -1.351 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1CCNC1=O ZINC000978605273 662614850 /nfs/dbraw/zinc/61/48/50/662614850.db2.gz OAJXXXVBOBECPK-ZDEQEGDKSA-N 1 1 318.381 -1.292 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnn(C)n3)[C@@H]2C1 ZINC000978617417 662615376 /nfs/dbraw/zinc/61/53/76/662615376.db2.gz SYBSBUZSXQULLY-XWLWVQCSSA-N 1 1 321.385 -1.406 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000978647606 662615400 /nfs/dbraw/zinc/61/54/00/662615400.db2.gz CKELMZMGHVFQOM-TUAOUCFPSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C1 ZINC000978683852 662615904 /nfs/dbraw/zinc/61/59/04/662615904.db2.gz XUXOJKVKKGRIFX-KYXWUPHJSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC000978683852 662615905 /nfs/dbraw/zinc/61/59/05/662615905.db2.gz XUXOJKVKKGRIFX-KYXWUPHJSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC000978683852 662615906 /nfs/dbraw/zinc/61/59/06/662615906.db2.gz XUXOJKVKKGRIFX-KYXWUPHJSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C1 ZINC000978683846 662615919 /nfs/dbraw/zinc/61/59/19/662615919.db2.gz XUXOJKVKKGRIFX-AATLWQCWSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC000978683846 662615920 /nfs/dbraw/zinc/61/59/20/662615920.db2.gz XUXOJKVKKGRIFX-AATLWQCWSA-N 1 1 307.354 -1.093 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3=NC(=O)N(C)C3)[C@@H]2C1 ZINC000978683846 662615921 /nfs/dbraw/zinc/61/59/21/662615921.db2.gz XUXOJKVKKGRIFX-AATLWQCWSA-N 1 1 307.354 -1.093 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001027653475 662615925 /nfs/dbraw/zinc/61/59/25/662615925.db2.gz YOVDGYKVDQKTNA-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn(C)c(=O)[nH]3)[C@@H]2C1 ZINC000978681626 662615970 /nfs/dbraw/zinc/61/59/70/662615970.db2.gz UWDCLYFGOFLAPN-OWUUHHOZSA-N 1 1 307.354 -1.221 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000978678437 662615990 /nfs/dbraw/zinc/61/59/90/662615990.db2.gz XCIONUOVRQRBHG-YFKTTZPYSA-N 1 1 316.365 -1.048 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000978678437 662615991 /nfs/dbraw/zinc/61/59/91/662615991.db2.gz XCIONUOVRQRBHG-YFKTTZPYSA-N 1 1 316.365 -1.048 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000978669360 662616035 /nfs/dbraw/zinc/61/60/35/662616035.db2.gz UPTTULXICDQVBO-AXFHLTTASA-N 1 1 321.385 -1.071 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 ZINC000978711730 662616305 /nfs/dbraw/zinc/61/63/05/662616305.db2.gz RLPKRZCMOQXINW-PSVAKVPMSA-N 1 1 305.338 -1.494 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038767859 662616387 /nfs/dbraw/zinc/61/63/87/662616387.db2.gz LTLGTHWACGUFNZ-WDEREUQCSA-N 1 1 324.381 -1.077 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)[C@@H]2C1 ZINC000978711830 662616394 /nfs/dbraw/zinc/61/63/94/662616394.db2.gz RWPYYIOUCGVZMX-KYXWUPHJSA-N 1 1 319.365 -1.105 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978711350 662616459 /nfs/dbraw/zinc/61/64/59/662616459.db2.gz BJTNNIDVDJHFIG-KZZRWZIVSA-N 1 1 308.382 -1.510 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC000978791657 662617091 /nfs/dbraw/zinc/61/70/91/662617091.db2.gz HWQOPDUEMIHVIM-MMWGEVLESA-N 1 1 310.354 -1.739 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001027673160 662617126 /nfs/dbraw/zinc/61/71/26/662617126.db2.gz DYGXDJTZYWDSEJ-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC000978855183 662617307 /nfs/dbraw/zinc/61/73/07/662617307.db2.gz KHSPQVVQQKHWBB-HKWIRBFKSA-N 1 1 309.366 -1.286 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673344 662617375 /nfs/dbraw/zinc/61/73/75/662617375.db2.gz HPSPNKBVZFFEJT-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673344 662617377 /nfs/dbraw/zinc/61/73/77/662617377.db2.gz HPSPNKBVZFFEJT-VIFPVBQESA-N 1 1 311.342 -2.054 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027675607 662617385 /nfs/dbraw/zinc/61/73/85/662617385.db2.gz YDRMXBGLOJYPHV-VIFPVBQESA-N 1 1 320.353 -1.403 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001027675607 662617388 /nfs/dbraw/zinc/61/73/88/662617388.db2.gz YDRMXBGLOJYPHV-VIFPVBQESA-N 1 1 320.353 -1.403 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001027673502 662617461 /nfs/dbraw/zinc/61/74/61/662617461.db2.gz JKJAMTADOMGWRH-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001027684843 662617710 /nfs/dbraw/zinc/61/77/10/662617710.db2.gz GOFQPMUFZRHODD-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CCn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)ccc1=O ZINC000978866353 662617756 /nfs/dbraw/zinc/61/77/56/662617756.db2.gz JCOXWHORXBFIRR-RTCCRHLQSA-N 1 1 319.365 -1.344 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1nnc[nH]1 ZINC000978882477 662617797 /nfs/dbraw/zinc/61/77/97/662617797.db2.gz YTIAGAQAQHZMIF-MMWGEVLESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978882477 662617800 /nfs/dbraw/zinc/61/78/00/662617800.db2.gz YTIAGAQAQHZMIF-MMWGEVLESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1ncn[nH]1 ZINC000978882477 662617802 /nfs/dbraw/zinc/61/78/02/662617802.db2.gz YTIAGAQAQHZMIF-MMWGEVLESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978882477 662617804 /nfs/dbraw/zinc/61/78/04/662617804.db2.gz YTIAGAQAQHZMIF-MMWGEVLESA-N 1 1 304.354 -1.009 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)c1nc[nH]n1 ZINC000978882477 662617806 /nfs/dbraw/zinc/61/78/06/662617806.db2.gz YTIAGAQAQHZMIF-MMWGEVLESA-N 1 1 304.354 -1.009 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(C)n3)[C@@H]2C1 ZINC000978873994 662617873 /nfs/dbraw/zinc/61/78/73/662617873.db2.gz DMYVGGBAARUGAJ-DBIOUOCHSA-N 1 1 306.370 -1.143 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000978893851 662618177 /nfs/dbraw/zinc/61/81/77/662618177.db2.gz BJABMEZCUUUBBC-USZNOCQGSA-N 1 1 324.381 -1.654 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000978883756 662618302 /nfs/dbraw/zinc/61/83/02/662618302.db2.gz OUQRAWUFYOYCDV-OUAUKWLOSA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000978883756 662618303 /nfs/dbraw/zinc/61/83/03/662618303.db2.gz OUQRAWUFYOYCDV-OUAUKWLOSA-N 1 1 312.370 -1.797 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1)NC1CC1 ZINC000979011957 662618999 /nfs/dbraw/zinc/61/89/99/662618999.db2.gz CKDMZSWAWHMIPB-RVMXOQNASA-N 1 1 320.393 -1.162 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)C(N)=O)C2)no1 ZINC000978985014 662619070 /nfs/dbraw/zinc/61/90/70/662619070.db2.gz LYUGTPOLODETBH-DTORHVGOSA-N 1 1 323.353 -1.154 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC000979043089 662619256 /nfs/dbraw/zinc/61/92/56/662619256.db2.gz HWQMQHVKKKYSOT-XWLWVQCSSA-N 1 1 319.365 -1.438 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC000979043074 662619306 /nfs/dbraw/zinc/61/93/06/662619306.db2.gz HWQMQHVKKKYSOT-DBIOUOCHSA-N 1 1 319.365 -1.438 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c(=O)[nH]c1=O ZINC000979076260 662619698 /nfs/dbraw/zinc/61/96/98/662619698.db2.gz VRZCIWBCYMAGQD-OWUUHHOZSA-N 1 1 308.338 -1.614 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC000979078049 662619711 /nfs/dbraw/zinc/61/97/11/662619711.db2.gz QQZFXGLHZVNOQS-MMWGEVLESA-N 1 1 303.384 -2.036 20 0 DAADMO Cn1nnnc1CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077771 662619713 /nfs/dbraw/zinc/61/97/13/662619713.db2.gz XENRYLCADTULIZ-ZDEQEGDKSA-N 1 1 319.413 -1.044 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979046461 662619885 /nfs/dbraw/zinc/61/98/85/662619885.db2.gz OZJURNSZTGFVGN-LPWJVIDDSA-N 1 1 308.382 -1.366 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@@H]2C1 ZINC000979057819 662619910 /nfs/dbraw/zinc/61/99/10/662619910.db2.gz LPETYJIBDTVADJ-PSVAKVPMSA-N 1 1 318.337 -2.032 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c(=O)[nH]c1=O ZINC000979078647 662620178 /nfs/dbraw/zinc/62/01/78/662620178.db2.gz YJZMGLXBUJVCPM-RTCCRHLQSA-N 1 1 322.365 -1.224 20 0 DAADMO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC000979070729 662620258 /nfs/dbraw/zinc/62/02/58/662620258.db2.gz FAWBVDMTTNIAAN-YFKTTZPYSA-N 1 1 317.411 -1.646 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC000979083921 662620275 /nfs/dbraw/zinc/62/02/75/662620275.db2.gz LJVUSYZKQQNHRB-OWUUHHOZSA-N 1 1 305.338 -1.494 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C(N)=O)n3)[C@@H]2C1 ZINC000979109992 662620496 /nfs/dbraw/zinc/62/04/96/662620496.db2.gz BUNVOVSPVBKYIY-OWUUHHOZSA-N 1 1 317.349 -1.427 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C(N)=O)nc3)[C@@H]2C1 ZINC000979105970 662620523 /nfs/dbraw/zinc/62/05/23/662620523.db2.gz NZTJQEBWRSZEAY-RTCCRHLQSA-N 1 1 317.349 -1.427 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000979137353 662621250 /nfs/dbraw/zinc/62/12/50/662621250.db2.gz IMHBBEJFDZJJEJ-GARJFASQSA-N 1 1 321.385 -1.214 20 0 DAADMO CCn1nc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000979110761 662621320 /nfs/dbraw/zinc/62/13/20/662621320.db2.gz BQWMDDWLSDOKDK-RTCCRHLQSA-N 1 1 306.370 -1.001 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000979230317 662622382 /nfs/dbraw/zinc/62/23/82/662622382.db2.gz PHZMDXVKJOGQAN-YFKTTZPYSA-N 1 1 323.397 -1.370 20 0 DAADMO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)CC(N)=O)CCO2)[nH]1 ZINC000979240205 662622506 /nfs/dbraw/zinc/62/25/06/662622506.db2.gz TUPGWCSRXFABAQ-SCZZXKLOSA-N 1 1 310.358 -1.306 20 0 DAADMO C[C@H]([NH2+]Cc1cnon1)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC000979294384 662622978 /nfs/dbraw/zinc/62/29/78/662622978.db2.gz JXMOBGFPDWHWJJ-ONGXEEELSA-N 1 1 322.329 -1.538 20 0 DAADMO CCCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979362425 662623195 /nfs/dbraw/zinc/62/31/95/662623195.db2.gz SOZRUDGNPKEBFV-QWRGUYRKSA-N 1 1 324.385 -1.121 20 0 DAADMO C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979349507 662623236 /nfs/dbraw/zinc/62/32/36/662623236.db2.gz UZBMZNDSJAYYIV-BXKDBHETSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979338923 662623330 /nfs/dbraw/zinc/62/33/30/662623330.db2.gz IDIADZVPGDYWET-MWLCHTKSSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000979338916 662623359 /nfs/dbraw/zinc/62/33/59/662623359.db2.gz IDIADZVPGDYWET-GXSJLCMTSA-N 1 1 320.357 -1.048 20 0 DAADMO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361741 662623365 /nfs/dbraw/zinc/62/33/65/662623365.db2.gz ROZREXYOVNMASK-WCBMZHEXSA-N 1 1 322.369 -1.127 20 0 DAADMO Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)nc1 ZINC000979361782 662623456 /nfs/dbraw/zinc/62/34/56/662623456.db2.gz RZTVQOHLWJMACK-QWRGUYRKSA-N 1 1 307.354 -1.024 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979361264 662623708 /nfs/dbraw/zinc/62/37/08/662623708.db2.gz QIHFCZUMJIEXJY-UWVGGRQHSA-N 1 1 310.358 -1.511 20 0 DAADMO Cc1ccnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979353332 662623823 /nfs/dbraw/zinc/62/38/23/662623823.db2.gz CYPFTAPBWHWICP-WDEREUQCSA-N 1 1 307.354 -1.024 20 0 DAADMO CCc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC000979363794 662623900 /nfs/dbraw/zinc/62/39/00/662623900.db2.gz WHWOMCWEVWTBLM-UWVGGRQHSA-N 1 1 324.385 -1.432 20 0 DAADMO CCn1ncc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC000979364714 662623956 /nfs/dbraw/zinc/62/39/56/662623956.db2.gz XBPCFJQGRPKBDK-MWLCHTKSSA-N 1 1 310.358 -1.511 20 0 DAADMO C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC000979401097 662624375 /nfs/dbraw/zinc/62/43/75/662624375.db2.gz WBFCOPJKAPODCW-WCBMZHEXSA-N 1 1 322.329 -1.388 20 0 DAADMO C[C@@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000979398907 662624505 /nfs/dbraw/zinc/62/45/05/662624505.db2.gz SJLBSAKRHUKJIT-KOLCDFICSA-N 1 1 320.357 -1.048 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cnnn3)C[C@@H]2C1 ZINC000979524673 662624789 /nfs/dbraw/zinc/62/47/89/662624789.db2.gz ZHNJWXOMYKBHMJ-QJPTWQEYSA-N 1 1 321.385 -1.364 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000979584452 662625921 /nfs/dbraw/zinc/62/59/21/662625921.db2.gz UPTTULXICDQVBO-DCAQKATOSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C[C@@H]2C1 ZINC000979708911 662627008 /nfs/dbraw/zinc/62/70/08/662627008.db2.gz FDYYKVASDRDZGV-QJPTWQEYSA-N 1 1 321.385 -1.364 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000979777703 662627625 /nfs/dbraw/zinc/62/76/25/662627625.db2.gz XWKNFIVZCZJAKL-FIQHERPVSA-N 1 1 323.397 -1.370 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000979777696 662627894 /nfs/dbraw/zinc/62/78/94/662627894.db2.gz XWKNFIVZCZJAKL-BJDJZHNGSA-N 1 1 323.397 -1.370 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCCO1 ZINC001010040359 662628663 /nfs/dbraw/zinc/62/86/63/662628663.db2.gz XNSOURYQZKOWJZ-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)[C@H]1CCCO1 ZINC001010040359 662628664 /nfs/dbraw/zinc/62/86/64/662628664.db2.gz XNSOURYQZKOWJZ-GHMZBOCLSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC001027860567 662630936 /nfs/dbraw/zinc/63/09/36/662630936.db2.gz JPINTZOSHALKLE-GHMZBOCLSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC001027860567 662630937 /nfs/dbraw/zinc/63/09/37/662630937.db2.gz JPINTZOSHALKLE-GHMZBOCLSA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC001027857850 662631185 /nfs/dbraw/zinc/63/11/85/662631185.db2.gz CLLOHPMFTZRGDB-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC001027857850 662631189 /nfs/dbraw/zinc/63/11/89/662631189.db2.gz CLLOHPMFTZRGDB-WDEREUQCSA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC001027860568 662631265 /nfs/dbraw/zinc/63/12/65/662631265.db2.gz JPINTZOSHALKLE-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC001027860568 662631270 /nfs/dbraw/zinc/63/12/70/662631270.db2.gz JPINTZOSHALKLE-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077394 662631974 /nfs/dbraw/zinc/63/19/74/662631974.db2.gz HKETVKHRFGIWSS-NEPJUHHUSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010077394 662631976 /nfs/dbraw/zinc/63/19/76/662631976.db2.gz HKETVKHRFGIWSS-NEPJUHHUSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010079471 662632212 /nfs/dbraw/zinc/63/22/12/662632212.db2.gz NSZWBCSVNAWWRL-ONGXEEELSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010079471 662632214 /nfs/dbraw/zinc/63/22/14/662632214.db2.gz NSZWBCSVNAWWRL-ONGXEEELSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010079464 662632377 /nfs/dbraw/zinc/63/23/77/662632377.db2.gz NSZWBCSVNAWWRL-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010079464 662632380 /nfs/dbraw/zinc/63/23/80/662632380.db2.gz NSZWBCSVNAWWRL-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010079469 662632446 /nfs/dbraw/zinc/63/24/46/662632446.db2.gz NSZWBCSVNAWWRL-MWLCHTKSSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010079469 662632447 /nfs/dbraw/zinc/63/24/47/662632447.db2.gz NSZWBCSVNAWWRL-MWLCHTKSSA-N 1 1 307.358 -1.469 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980192713 662633349 /nfs/dbraw/zinc/63/33/49/662633349.db2.gz JTYXICKMHNQPBT-QJPTWQEYSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980171584 662633427 /nfs/dbraw/zinc/63/34/27/662633427.db2.gz MLAWTEMRTBNDQW-MGPQQGTHSA-N 1 1 324.425 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C1 ZINC000980165436 662633480 /nfs/dbraw/zinc/63/34/80/662633480.db2.gz MMRHGIIGJKERCQ-QJPTWQEYSA-N 1 1 323.397 -1.286 20 0 DAADMO Cn1[nH]c(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)C(N)=O)C[C@@H]3C2)nc1=O ZINC000980186106 662633552 /nfs/dbraw/zinc/63/35/52/662633552.db2.gz NODUNCYZLBGXFW-AEJSXWLSSA-N 1 1 322.369 -1.690 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3nnn(C)n3)C[C@H]2C1 ZINC000980155946 662633601 /nfs/dbraw/zinc/63/36/01/662633601.db2.gz VDZDVVIHMFDJCO-DCAQKATOSA-N 1 1 321.385 -1.214 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C1 ZINC000980165435 662633623 /nfs/dbraw/zinc/63/36/23/662633623.db2.gz MMRHGIIGJKERCQ-IJLUTSLNSA-N 1 1 323.397 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3nnn(C)n3)C[C@@H]2C1 ZINC000980155950 662633643 /nfs/dbraw/zinc/63/36/43/662633643.db2.gz VDZDVVIHMFDJCO-HBNTYKKESA-N 1 1 321.385 -1.214 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980192712 662633691 /nfs/dbraw/zinc/63/36/91/662633691.db2.gz JTYXICKMHNQPBT-IJLUTSLNSA-N 1 1 324.381 -1.253 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC000980165434 662633722 /nfs/dbraw/zinc/63/37/22/662633722.db2.gz MMRHGIIGJKERCQ-GRYCIOLGSA-N 1 1 323.397 -1.286 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2C1 ZINC000980166110 662633752 /nfs/dbraw/zinc/63/37/52/662633752.db2.gz NLIFLAINRWRYAC-QJPTWQEYSA-N 1 1 306.370 -1.020 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC000980167084 662633762 /nfs/dbraw/zinc/63/37/62/662633762.db2.gz RXDWHGKFYDIQJI-JBLDHEPKSA-N 1 1 308.382 -1.033 20 0 DAADMO Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187213 662633770 /nfs/dbraw/zinc/63/37/70/662633770.db2.gz RETXQKUWKSNCEZ-IVZWLZJFSA-N 1 1 307.358 -1.588 20 0 DAADMO Cn1nnnc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980187213 662633772 /nfs/dbraw/zinc/63/37/72/662633772.db2.gz RETXQKUWKSNCEZ-IVZWLZJFSA-N 1 1 307.358 -1.588 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C1 ZINC000980166109 662633791 /nfs/dbraw/zinc/63/37/91/662633791.db2.gz NLIFLAINRWRYAC-IJLUTSLNSA-N 1 1 306.370 -1.020 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980188220 662633795 /nfs/dbraw/zinc/63/37/95/662633795.db2.gz UZKGWORFGZHJAL-AXFHLTTASA-N 1 1 317.411 -1.267 20 0 DAADMO O=C(CN1CCCC1=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010102862 662634256 /nfs/dbraw/zinc/63/42/56/662634256.db2.gz BMGJEAOJQCNNQF-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1CCCC1=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010102862 662634259 /nfs/dbraw/zinc/63/42/59/662634259.db2.gz BMGJEAOJQCNNQF-QWRGUYRKSA-N 1 1 322.365 -1.396 20 0 DAADMO C[N@@H+](CCO)[C@@H]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC000980263731 662634523 /nfs/dbraw/zinc/63/45/23/662634523.db2.gz LIWQPMVBVLEGBQ-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108245 662634612 /nfs/dbraw/zinc/63/46/12/662634612.db2.gz QXUKJLOYQCWEPJ-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108245 662634614 /nfs/dbraw/zinc/63/46/14/662634614.db2.gz QXUKJLOYQCWEPJ-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108235 662634641 /nfs/dbraw/zinc/63/46/41/662634641.db2.gz QXUKJLOYQCWEPJ-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001010108235 662634644 /nfs/dbraw/zinc/63/46/44/662634644.db2.gz QXUKJLOYQCWEPJ-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C2)c(=O)n1C ZINC000980293244 662634835 /nfs/dbraw/zinc/63/48/35/662634835.db2.gz ATHVXVWOLYDINI-MWLCHTKSSA-N 1 1 324.385 -1.703 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C2)c(=O)n1C ZINC000980293241 662635169 /nfs/dbraw/zinc/63/51/69/662635169.db2.gz ATHVXVWOLYDINI-GXSJLCMTSA-N 1 1 324.385 -1.703 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000980353714 662635407 /nfs/dbraw/zinc/63/54/07/662635407.db2.gz SUQGYNAOZCMVKY-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000980332712 662635531 /nfs/dbraw/zinc/63/55/31/662635531.db2.gz GXXYIYARKOEGSA-UWVGGRQHSA-N 1 1 307.354 -1.200 20 0 DAADMO Cn1nc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)ccc1=O ZINC000980333325 662635582 /nfs/dbraw/zinc/63/55/82/662635582.db2.gz MQXSTKRXBMQEHJ-CMPLNLGQSA-N 1 1 319.365 -1.185 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000980332711 662635616 /nfs/dbraw/zinc/63/56/16/662635616.db2.gz GXXYIYARKOEGSA-NXEZZACHSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC000980350800 662635835 /nfs/dbraw/zinc/63/58/35/662635835.db2.gz BCQPXAUXIJJCIF-KKOKHZNYSA-N 1 1 323.397 -1.227 20 0 DAADMO C[N@@H+]([C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)[C@@H]1CCNC1=O ZINC000980345994 662635847 /nfs/dbraw/zinc/63/58/47/662635847.db2.gz KFKPILKHJOONFM-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000980351317 662635864 /nfs/dbraw/zinc/63/58/64/662635864.db2.gz ZAZXOFOPXZXDLV-GHMZBOCLSA-N 1 1 312.370 -1.206 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1=O ZINC000980349600 662635876 /nfs/dbraw/zinc/63/58/76/662635876.db2.gz JEZCSFHFGVMAPW-SECBINFHSA-N 1 1 311.342 -2.102 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1=O ZINC000980349600 662635877 /nfs/dbraw/zinc/63/58/77/662635877.db2.gz JEZCSFHFGVMAPW-SECBINFHSA-N 1 1 311.342 -2.102 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483365 662636527 /nfs/dbraw/zinc/63/65/27/662636527.db2.gz OJJZECCOXNDHQG-DTWKUNHWSA-N 1 1 323.357 -2.217 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980444842 662636645 /nfs/dbraw/zinc/63/66/45/662636645.db2.gz BMOFVPVLOYXKHU-RYUDHWBXSA-N 1 1 312.370 -1.748 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980444842 662636646 /nfs/dbraw/zinc/63/66/46/662636646.db2.gz BMOFVPVLOYXKHU-RYUDHWBXSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)nn1 ZINC000980483229 662636783 /nfs/dbraw/zinc/63/67/83/662636783.db2.gz KXXPVYLYKGSYGI-NSHDSACASA-N 1 1 324.385 -1.495 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000980471900 662636870 /nfs/dbraw/zinc/63/68/70/662636870.db2.gz PZQKQIQRERISLG-WDEREUQCSA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000980471900 662636871 /nfs/dbraw/zinc/63/68/71/662636871.db2.gz PZQKQIQRERISLG-WDEREUQCSA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000980471893 662636897 /nfs/dbraw/zinc/63/68/97/662636897.db2.gz PZQKQIQRERISLG-GHMZBOCLSA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000980471893 662636899 /nfs/dbraw/zinc/63/68/99/662636899.db2.gz PZQKQIQRERISLG-GHMZBOCLSA-N 1 1 306.370 -1.142 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483328 662636914 /nfs/dbraw/zinc/63/69/14/662636914.db2.gz NGXUPSLHBPOXRW-MRVPVSSYSA-N 1 1 309.330 -2.605 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000980483328 662636915 /nfs/dbraw/zinc/63/69/15/662636915.db2.gz NGXUPSLHBPOXRW-MRVPVSSYSA-N 1 1 309.330 -2.605 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943084 662637145 /nfs/dbraw/zinc/63/71/45/662637145.db2.gz KBFSZAFULYJDDK-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001027943084 662637146 /nfs/dbraw/zinc/63/71/46/662637146.db2.gz KBFSZAFULYJDDK-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000980508880 662637160 /nfs/dbraw/zinc/63/71/60/662637160.db2.gz WBVFJCZNCRGJSF-SECBINFHSA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000980508880 662637161 /nfs/dbraw/zinc/63/71/61/662637161.db2.gz WBVFJCZNCRGJSF-SECBINFHSA-N 1 1 305.338 -1.188 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)n(C)c1=O ZINC000980499958 662637169 /nfs/dbraw/zinc/63/71/69/662637169.db2.gz BGKHPMBPMSRZRW-QWRGUYRKSA-N 1 1 321.381 -1.241 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC000980544426 662637183 /nfs/dbraw/zinc/63/71/83/662637183.db2.gz YZVXSIWTEWAAMH-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC000980544426 662637184 /nfs/dbraw/zinc/63/71/84/662637184.db2.gz YZVXSIWTEWAAMH-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnnn1C ZINC000980553129 662637189 /nfs/dbraw/zinc/63/71/89/662637189.db2.gz LTGGIDZTTGNPFQ-NXEZZACHSA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)cc1=O ZINC001027942818 662637191 /nfs/dbraw/zinc/63/71/91/662637191.db2.gz HMPMTFXQXGZRTC-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)cc1=O ZINC001027942818 662637192 /nfs/dbraw/zinc/63/71/92/662637192.db2.gz HMPMTFXQXGZRTC-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1cnnn1C ZINC000980553137 662637225 /nfs/dbraw/zinc/63/72/25/662637225.db2.gz LTGGIDZTTGNPFQ-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000980530726 662637233 /nfs/dbraw/zinc/63/72/33/662637233.db2.gz KHKWIGJXOIMMLR-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000980530726 662637234 /nfs/dbraw/zinc/63/72/34/662637234.db2.gz KHKWIGJXOIMMLR-JTQLQIEISA-N 1 1 305.338 -1.188 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC000980502325 662637278 /nfs/dbraw/zinc/63/72/78/662637278.db2.gz GYRNGHGFSAEVJH-NXEZZACHSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC000980502328 662637310 /nfs/dbraw/zinc/63/73/10/662637310.db2.gz GYRNGHGFSAEVJH-ZJUUUORDSA-N 1 1 309.370 -1.256 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCNC2=O)cc1=O ZINC001027942816 662637352 /nfs/dbraw/zinc/63/73/52/662637352.db2.gz HMPMTFXQXGZRTC-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCNC2=O)cc1=O ZINC001027942816 662637354 /nfs/dbraw/zinc/63/73/54/662637354.db2.gz HMPMTFXQXGZRTC-JQWIXIFHSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@@H]1C[C@@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cn1ncnn1 ZINC000980580832 662637544 /nfs/dbraw/zinc/63/75/44/662637544.db2.gz FACRZJOOJHMACE-ZJUUUORDSA-N 1 1 320.361 -1.777 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000980677162 662637788 /nfs/dbraw/zinc/63/77/88/662637788.db2.gz IBOOYVPUVOISER-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000980677162 662637790 /nfs/dbraw/zinc/63/77/90/662637790.db2.gz IBOOYVPUVOISER-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980679492 662637853 /nfs/dbraw/zinc/63/78/53/662637853.db2.gz QXJNCVJGSLHWNI-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980679492 662637854 /nfs/dbraw/zinc/63/78/54/662637854.db2.gz QXJNCVJGSLHWNI-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000980673578 662637969 /nfs/dbraw/zinc/63/79/69/662637969.db2.gz GVVRHVPXADDSPH-DTWKUNHWSA-N 1 1 320.361 -1.626 20 0 DAADMO CN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679414 662637985 /nfs/dbraw/zinc/63/79/85/662637985.db2.gz NEJKEOOFSJQYRB-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)C1=O ZINC000980679414 662637986 /nfs/dbraw/zinc/63/79/86/662637986.db2.gz NEJKEOOFSJQYRB-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)c1nc[nH]n1 ZINC000980724588 662638258 /nfs/dbraw/zinc/63/82/58/662638258.db2.gz PDRHAMSIGFTKFX-RKDXNWHRSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1C[C@H](C[NH2+]Cc2nc(N(C)C)no2)CN1C(=O)C(N)=O ZINC000980687095 662638261 /nfs/dbraw/zinc/63/82/61/662638261.db2.gz MPLNTMVNVJCJEE-DTWKUNHWSA-N 1 1 310.358 -1.053 20 0 DAADMO C[C@@H]1C[C@H](C[NH2+]Cc2nnn(C)n2)CN1C(=O)Cc1nnc[nH]1 ZINC000980758491 662638745 /nfs/dbraw/zinc/63/87/45/662638745.db2.gz BFFWZYRICHRVAR-NXEZZACHSA-N 1 1 319.373 -1.103 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000980839558 662639647 /nfs/dbraw/zinc/63/96/47/662639647.db2.gz JJJWDRGLJQAVBI-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000980839558 662639649 /nfs/dbraw/zinc/63/96/49/662639649.db2.gz JJJWDRGLJQAVBI-GHMZBOCLSA-N 1 1 322.365 -1.396 20 0 DAADMO NC(=O)CC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000980867547 662639984 /nfs/dbraw/zinc/63/99/84/662639984.db2.gz YYGZVUGOMAAZCS-LBPRGKRZSA-N 1 1 309.370 -1.346 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015648 662640637 /nfs/dbraw/zinc/64/06/37/662640637.db2.gz CAUBJVUDUJTHKM-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015648 662640639 /nfs/dbraw/zinc/64/06/39/662640639.db2.gz CAUBJVUDUJTHKM-SNVBAGLBSA-N 1 1 310.358 -1.348 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CS(C)(=O)=O)C1 ZINC000950063171 662640846 /nfs/dbraw/zinc/64/08/46/662640846.db2.gz AJJSADZYMQEMFR-MNOVXSKESA-N 1 1 317.411 -1.300 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981001263 662640975 /nfs/dbraw/zinc/64/09/75/662640975.db2.gz AYBJJTRFXXLMPP-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CCOCC1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981001263 662640976 /nfs/dbraw/zinc/64/09/76/662640976.db2.gz AYBJJTRFXXLMPP-ZDUSSCGKSA-N 1 1 310.398 -1.259 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981005831 662640978 /nfs/dbraw/zinc/64/09/78/662640978.db2.gz SBSDVNXCCDVJPJ-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981005831 662640979 /nfs/dbraw/zinc/64/09/79/662640979.db2.gz SBSDVNXCCDVJPJ-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981073303 662641325 /nfs/dbraw/zinc/64/13/25/662641325.db2.gz DRXYXJYNBNBNKH-UWVGGRQHSA-N 1 1 324.337 -1.566 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981073303 662641326 /nfs/dbraw/zinc/64/13/26/662641326.db2.gz DRXYXJYNBNBNKH-UWVGGRQHSA-N 1 1 324.337 -1.566 20 0 DAADMO Cn1nnc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000981092671 662641681 /nfs/dbraw/zinc/64/16/81/662641681.db2.gz XFWAKFOJNVOOGH-UWVGGRQHSA-N 1 1 320.361 -1.586 20 0 DAADMO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981170544 662641992 /nfs/dbraw/zinc/64/19/92/662641992.db2.gz BKGITELYDYGLTG-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000981170544 662641993 /nfs/dbraw/zinc/64/19/93/662641993.db2.gz BKGITELYDYGLTG-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO O=C(Cn1ncnn1)N1CCC[N@@H+](CCn2cncn2)CC1 ZINC000981173308 662642118 /nfs/dbraw/zinc/64/21/18/662642118.db2.gz GWCCKEAZNGACLE-UHFFFAOYSA-N 1 1 305.346 -1.501 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC000936687024 662642151 /nfs/dbraw/zinc/64/21/51/662642151.db2.gz BNYBCLFXQGTFDM-QWRGUYRKSA-N 1 1 305.338 -1.121 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197789 662642487 /nfs/dbraw/zinc/64/24/87/662642487.db2.gz PBAMWCWXIODBIO-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000981197799 662642570 /nfs/dbraw/zinc/64/25/70/662642570.db2.gz PGLWJSFBXHBTIP-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001028073348 662643121 /nfs/dbraw/zinc/64/31/21/662643121.db2.gz SIHXBWNRPGGVTD-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001028073348 662643124 /nfs/dbraw/zinc/64/31/24/662643124.db2.gz SIHXBWNRPGGVTD-NEPJUHHUSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@H]1CCNC1=O ZINC001028071325 662643154 /nfs/dbraw/zinc/64/31/54/662643154.db2.gz BEJIGHKJIHKZRD-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076322 662643533 /nfs/dbraw/zinc/64/35/33/662643533.db2.gz LTDSNGGPNQTOEF-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076322 662643535 /nfs/dbraw/zinc/64/35/35/662643535.db2.gz LTDSNGGPNQTOEF-QWRGUYRKSA-N 1 1 311.386 -1.321 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076894 662643650 /nfs/dbraw/zinc/64/36/50/662643650.db2.gz ZTCSBXZPNDXQHI-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)NC1=O ZINC001028076894 662643652 /nfs/dbraw/zinc/64/36/52/662643652.db2.gz ZTCSBXZPNDXQHI-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000981274484 662643697 /nfs/dbraw/zinc/64/36/97/662643697.db2.gz AETPCXLJCBQJJG-BDAKNGLRSA-N 1 1 320.361 -1.436 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028078842 662644048 /nfs/dbraw/zinc/64/40/48/662644048.db2.gz SYLQKRDUUWBLQQ-IUCAKERBSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028078842 662644049 /nfs/dbraw/zinc/64/40/49/662644049.db2.gz SYLQKRDUUWBLQQ-IUCAKERBSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)n1 ZINC001028079987 662644064 /nfs/dbraw/zinc/64/40/64/662644064.db2.gz ADNFQOWILNRPGD-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)n1 ZINC001028079987 662644065 /nfs/dbraw/zinc/64/40/65/662644065.db2.gz ADNFQOWILNRPGD-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028080603 662644073 /nfs/dbraw/zinc/64/40/73/662644073.db2.gz ADTHFNJWGLUZSK-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028080603 662644074 /nfs/dbraw/zinc/64/40/74/662644074.db2.gz ADTHFNJWGLUZSK-UWVGGRQHSA-N 1 1 309.374 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)n1 ZINC001028078006 662644111 /nfs/dbraw/zinc/64/41/11/662644111.db2.gz BEMOZIHMYJWJTB-UWVGGRQHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)n1 ZINC001028078006 662644113 /nfs/dbraw/zinc/64/41/13/662644113.db2.gz BEMOZIHMYJWJTB-UWVGGRQHSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028078840 662644148 /nfs/dbraw/zinc/64/41/48/662644148.db2.gz SYLQKRDUUWBLQQ-BDAKNGLRSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028078840 662644149 /nfs/dbraw/zinc/64/41/49/662644149.db2.gz SYLQKRDUUWBLQQ-BDAKNGLRSA-N 1 1 321.341 -1.791 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCCNC2=O)n1 ZINC001028078008 662644284 /nfs/dbraw/zinc/64/42/84/662644284.db2.gz BEMOZIHMYJWJTB-VHSXEESVSA-N 1 1 307.358 -1.317 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)n1 ZINC001028078008 662644287 /nfs/dbraw/zinc/64/42/87/662644287.db2.gz BEMOZIHMYJWJTB-VHSXEESVSA-N 1 1 307.358 -1.317 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000981326383 662644607 /nfs/dbraw/zinc/64/46/07/662644607.db2.gz DGHZDLVMNOZWON-ZDUSSCGKSA-N 1 1 322.413 -1.167 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000981344765 662644699 /nfs/dbraw/zinc/64/46/99/662644699.db2.gz GHVJZABCPSPRMF-GFCCVEGCSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C(CN1CCOCC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000981344765 662644700 /nfs/dbraw/zinc/64/47/00/662644700.db2.gz GHVJZABCPSPRMF-GFCCVEGCSA-N 1 1 324.381 -1.732 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1cnsn1 ZINC001010328454 662644990 /nfs/dbraw/zinc/64/49/90/662644990.db2.gz IEGGCYVLZMTBNH-MRVPVSSYSA-N 1 1 324.366 -1.106 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1cnsn1 ZINC001010328454 662644991 /nfs/dbraw/zinc/64/49/91/662644991.db2.gz IEGGCYVLZMTBNH-MRVPVSSYSA-N 1 1 324.366 -1.106 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981539258 662645183 /nfs/dbraw/zinc/64/51/83/662645183.db2.gz NWPRNGOPBWIHAC-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(CN1CCCNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981539258 662645185 /nfs/dbraw/zinc/64/51/85/662645185.db2.gz NWPRNGOPBWIHAC-LBPRGKRZSA-N 1 1 323.397 -1.176 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001028109671 662645638 /nfs/dbraw/zinc/64/56/38/662645638.db2.gz LTGDPHGIYKCDMD-WDEREUQCSA-N 1 1 324.385 -1.726 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1CCN1CCCC1=O)[C@H]1CNC(=O)N1 ZINC001028109121 662645652 /nfs/dbraw/zinc/64/56/52/662645652.db2.gz DLZPTMMWWPVGNF-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103707 662645661 /nfs/dbraw/zinc/64/56/61/662645661.db2.gz URYVWWOUXWDMQD-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103707 662645662 /nfs/dbraw/zinc/64/56/62/662645662.db2.gz URYVWWOUXWDMQD-MWLCHTKSSA-N 1 1 305.338 -1.147 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981611232 662645666 /nfs/dbraw/zinc/64/56/66/662645666.db2.gz ASPNCXQREWDUCS-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981611232 662645667 /nfs/dbraw/zinc/64/56/67/662645667.db2.gz ASPNCXQREWDUCS-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC000981613165 662645707 /nfs/dbraw/zinc/64/57/07/662645707.db2.gz IQKIZBVPBDFHRL-NSHDSACASA-N 1 1 321.385 -1.139 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001028109885 662645713 /nfs/dbraw/zinc/64/57/13/662645713.db2.gz PEDVTBCJADFGBC-GHMZBOCLSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001028109885 662645716 /nfs/dbraw/zinc/64/57/16/662645716.db2.gz PEDVTBCJADFGBC-GHMZBOCLSA-N 1 1 309.370 -1.473 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001028109670 662645723 /nfs/dbraw/zinc/64/57/23/662645723.db2.gz LTGDPHGIYKCDMD-QWRGUYRKSA-N 1 1 324.385 -1.726 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001028109719 662645760 /nfs/dbraw/zinc/64/57/60/662645760.db2.gz MNJUCNUMFOGSPW-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001028109719 662645761 /nfs/dbraw/zinc/64/57/61/662645761.db2.gz MNJUCNUMFOGSPW-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103706 662645878 /nfs/dbraw/zinc/64/58/78/662645878.db2.gz URYVWWOUXWDMQD-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001028103706 662645880 /nfs/dbraw/zinc/64/58/80/662645880.db2.gz URYVWWOUXWDMQD-KOLCDFICSA-N 1 1 305.338 -1.147 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC001028109907 662646113 /nfs/dbraw/zinc/64/61/13/662646113.db2.gz PIGXTACDPYZHJA-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC001028109907 662646115 /nfs/dbraw/zinc/64/61/15/662646115.db2.gz PIGXTACDPYZHJA-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC000981668160 662646221 /nfs/dbraw/zinc/64/62/21/662646221.db2.gz FTYDBZCKFAHCEX-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO CCC[N@H+]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC000981668160 662646223 /nfs/dbraw/zinc/64/62/23/662646223.db2.gz FTYDBZCKFAHCEX-NSHDSACASA-N 1 1 317.411 -1.156 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC001028109906 662646342 /nfs/dbraw/zinc/64/63/42/662646342.db2.gz PIGXTACDPYZHJA-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC001028109906 662646343 /nfs/dbraw/zinc/64/63/43/662646343.db2.gz PIGXTACDPYZHJA-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001028111332 662646365 /nfs/dbraw/zinc/64/63/65/662646365.db2.gz WVRYOIMMJZGITO-QWRGUYRKSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000981742860 662646490 /nfs/dbraw/zinc/64/64/90/662646490.db2.gz LEKUOKJXYUJFPS-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000981742860 662646492 /nfs/dbraw/zinc/64/64/92/662646492.db2.gz LEKUOKJXYUJFPS-LBPRGKRZSA-N 1 1 323.397 -2.159 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725099 662646521 /nfs/dbraw/zinc/64/65/21/662646521.db2.gz IGNLYTVAIVFQAF-SNVBAGLBSA-N 1 1 322.369 -1.218 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725099 662646522 /nfs/dbraw/zinc/64/65/22/662646522.db2.gz IGNLYTVAIVFQAF-SNVBAGLBSA-N 1 1 322.369 -1.218 20 0 DAADMO CO[C@H](C)C[N@H+]1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742331 662646540 /nfs/dbraw/zinc/64/65/40/662646540.db2.gz BKJAODVNEHMKTP-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981742352 662646588 /nfs/dbraw/zinc/64/65/88/662646588.db2.gz LFKNOVPRIMYFMI-GHMZBOCLSA-N 1 1 322.365 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725168 662646794 /nfs/dbraw/zinc/64/67/94/662646794.db2.gz KTMVZVMVEIKNKJ-UHFFFAOYSA-N 1 1 322.369 -1.346 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000981725168 662646796 /nfs/dbraw/zinc/64/67/96/662646796.db2.gz KTMVZVMVEIKNKJ-UHFFFAOYSA-N 1 1 322.369 -1.346 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)NC1=O ZINC000981750362 662646829 /nfs/dbraw/zinc/64/68/29/662646829.db2.gz AACMWRSZJDVOTH-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)NC1=O ZINC000981750362 662646831 /nfs/dbraw/zinc/64/68/31/662646831.db2.gz AACMWRSZJDVOTH-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[N@@H+](CCn3cncn3)CC2)NC1=O ZINC000981751713 662647253 /nfs/dbraw/zinc/64/72/53/662647253.db2.gz WGGFISVYHXECPX-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@@H+]([C@H]3CCCN(C)C3=O)CC2)n1 ZINC000981773447 662647299 /nfs/dbraw/zinc/64/72/99/662647299.db2.gz HEDSNMYYHPMPBV-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CCC[N@H+]([C@H]3CCCN(C)C3=O)CC2)n1 ZINC000981773447 662647301 /nfs/dbraw/zinc/64/73/01/662647301.db2.gz HEDSNMYYHPMPBV-NSHDSACASA-N 1 1 321.385 -1.021 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000981818788 662647607 /nfs/dbraw/zinc/64/76/07/662647607.db2.gz DIYYXABQWUDUBY-NSHDSACASA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)cc1=O ZINC000981821036 662647689 /nfs/dbraw/zinc/64/76/89/662647689.db2.gz WUSWNTJAEWVEKK-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)cc1=O ZINC000981821036 662647690 /nfs/dbraw/zinc/64/76/90/662647690.db2.gz WUSWNTJAEWVEKK-UHFFFAOYSA-N 1 1 319.365 -1.196 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981770751 662647713 /nfs/dbraw/zinc/64/77/13/662647713.db2.gz DSUANQZFSCPKGK-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001028140599 662647945 /nfs/dbraw/zinc/64/79/45/662647945.db2.gz SYHHVVVCCFFDDC-UTUOFQBUSA-N 1 1 306.370 -1.020 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981850428 662648395 /nfs/dbraw/zinc/64/83/95/662648395.db2.gz HLJMGMWQRGXFOM-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC000981850428 662648398 /nfs/dbraw/zinc/64/83/98/662648398.db2.gz HLJMGMWQRGXFOM-WDEREUQCSA-N 1 1 309.370 -1.519 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981850911 662648436 /nfs/dbraw/zinc/64/84/36/662648436.db2.gz WGJPNKROHXPKPG-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000981850911 662648437 /nfs/dbraw/zinc/64/84/37/662648437.db2.gz WGJPNKROHXPKPG-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC1 ZINC001028140979 662648547 /nfs/dbraw/zinc/64/85/47/662648547.db2.gz CCBPPMPWNANFKQ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCC1 ZINC001028140979 662648548 /nfs/dbraw/zinc/64/85/48/662648548.db2.gz CCBPPMPWNANFKQ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)c1=O ZINC000981861629 662648862 /nfs/dbraw/zinc/64/88/62/662648862.db2.gz ZRTBRJAYOSOCRF-UHFFFAOYSA-N 1 1 309.370 -1.502 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150516 662649389 /nfs/dbraw/zinc/64/93/89/662649389.db2.gz SRQSXCUGHVFYHE-GHMZBOCLSA-N 1 1 321.385 -1.309 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150516 662649392 /nfs/dbraw/zinc/64/93/92/662649392.db2.gz SRQSXCUGHVFYHE-GHMZBOCLSA-N 1 1 321.385 -1.309 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000981933961 662649610 /nfs/dbraw/zinc/64/96/10/662649610.db2.gz ALKXTGUSUGAGMM-NWDGAFQWSA-N 1 1 320.393 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933820 662649675 /nfs/dbraw/zinc/64/96/75/662649675.db2.gz VMMWVQIOEOIBPC-UHFFFAOYSA-N 1 1 323.397 -2.172 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC000981933820 662649676 /nfs/dbraw/zinc/64/96/76/662649676.db2.gz VMMWVQIOEOIBPC-UHFFFAOYSA-N 1 1 323.397 -2.172 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)C1 ZINC000981932499 662649977 /nfs/dbraw/zinc/64/99/77/662649977.db2.gz ABUFUSPVQVUUHK-MNOVXSKESA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]3C(N)=O)C2)C1 ZINC000981932499 662649978 /nfs/dbraw/zinc/64/99/78/662649978.db2.gz ABUFUSPVQVUUHK-MNOVXSKESA-N 1 1 308.382 -1.092 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981945028 662650014 /nfs/dbraw/zinc/65/00/14/662650014.db2.gz WEXDYTFOIRFICC-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO CNC(=O)C[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981945028 662650015 /nfs/dbraw/zinc/65/00/15/662650015.db2.gz WEXDYTFOIRFICC-UHFFFAOYSA-N 1 1 307.358 -1.506 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981935804 662650115 /nfs/dbraw/zinc/65/01/15/662650115.db2.gz SXQCVAJLDGYFBC-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000981935804 662650117 /nfs/dbraw/zinc/65/01/17/662650117.db2.gz SXQCVAJLDGYFBC-MNOVXSKESA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946523 662650510 /nfs/dbraw/zinc/65/05/10/662650510.db2.gz GUTRTMRDMXKDGJ-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000981946523 662650513 /nfs/dbraw/zinc/65/05/13/662650513.db2.gz GUTRTMRDMXKDGJ-SNVBAGLBSA-N 1 1 321.385 -1.117 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001038158590 662650623 /nfs/dbraw/zinc/65/06/23/662650623.db2.gz SOKNYBZDIGLDSX-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001038158590 662650628 /nfs/dbraw/zinc/65/06/28/662650628.db2.gz SOKNYBZDIGLDSX-VXGBXAGGSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCO)c(=O)n(C)c1=O ZINC001028178076 662650813 /nfs/dbraw/zinc/65/08/13/662650813.db2.gz JYFGBVFNFPPOIF-JTQLQIEISA-N 1 1 310.354 -1.730 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000981975582 662650831 /nfs/dbraw/zinc/65/08/31/662650831.db2.gz XUSPQSUOMYRPIG-QWRGUYRKSA-N 1 1 321.381 -1.519 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC000981967823 662650876 /nfs/dbraw/zinc/65/08/76/662650876.db2.gz JDMBJFWYQHBZMJ-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1=O ZINC000981967823 662650879 /nfs/dbraw/zinc/65/08/79/662650879.db2.gz JDMBJFWYQHBZMJ-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001028178999 662650910 /nfs/dbraw/zinc/65/09/10/662650910.db2.gz SRSQRXZVTPHNKR-QWRGUYRKSA-N 1 1 324.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000981975239 662650931 /nfs/dbraw/zinc/65/09/31/662650931.db2.gz NEAJSDUABQCBEO-LLVKDONJSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)c(=O)n(C)c1=O ZINC001028177802 662650971 /nfs/dbraw/zinc/65/09/71/662650971.db2.gz HAJIJYWLUILGIG-SECBINFHSA-N 1 1 323.353 -2.237 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)c(=O)n(C)c1=O ZINC001028177802 662650973 /nfs/dbraw/zinc/65/09/73/662650973.db2.gz HAJIJYWLUILGIG-SECBINFHSA-N 1 1 323.353 -2.237 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975417 662650986 /nfs/dbraw/zinc/65/09/86/662650986.db2.gz RIBAMMLVOUFJJP-MNOVXSKESA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981972102 662650993 /nfs/dbraw/zinc/65/09/93/662650993.db2.gz NUJQMNWWOXYGQO-VIFPVBQESA-N 1 1 308.338 -1.799 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CCC[N@H+](CC(N)=O)C3)CCNC1=O ZINC000982008999 662651253 /nfs/dbraw/zinc/65/12/53/662651253.db2.gz WBOXCFNWJAFCNH-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@]1(C(=O)N2CC3(C2)CCC[N@@H+](CC(N)=O)C3)CCNC1=O ZINC000982008999 662651254 /nfs/dbraw/zinc/65/12/54/662651254.db2.gz WBOXCFNWJAFCNH-CQSZACIVSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015691 662651762 /nfs/dbraw/zinc/65/17/62/662651762.db2.gz UPXOAFHZOGQGLL-AXFHLTTASA-N 1 1 308.382 -1.094 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC000982015691 662651763 /nfs/dbraw/zinc/65/17/63/662651763.db2.gz UPXOAFHZOGQGLL-AXFHLTTASA-N 1 1 308.382 -1.094 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028198600 662651771 /nfs/dbraw/zinc/65/17/71/662651771.db2.gz LNMGSKFYHSKAIU-ONGXEEELSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCC(=O)NC2=O)n1 ZINC001028198600 662651773 /nfs/dbraw/zinc/65/17/73/662651773.db2.gz LNMGSKFYHSKAIU-ONGXEEELSA-N 1 1 320.353 -1.186 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000982015328 662651803 /nfs/dbraw/zinc/65/18/03/662651803.db2.gz AJZWILYLVAYSDV-WOPDTQHZSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000982070907 662652209 /nfs/dbraw/zinc/65/22/09/662652209.db2.gz ZZZDLIJTDBSVLS-NSHDSACASA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(NC[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O)c1nnc[nH]1 ZINC001028212058 662652264 /nfs/dbraw/zinc/65/22/64/662652264.db2.gz BGTAQRHWOHXROZ-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO NC(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042454 662652372 /nfs/dbraw/zinc/65/23/72/662652372.db2.gz MWMHERSFPJNGBT-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000982042454 662652373 /nfs/dbraw/zinc/65/23/73/662652373.db2.gz MWMHERSFPJNGBT-VIFPVBQESA-N 1 1 323.353 -2.006 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982073580 662652378 /nfs/dbraw/zinc/65/23/78/662652378.db2.gz WRUVOTCYLMUJGB-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@H+](CCO)CC2)S1(=O)=O ZINC000982165417 662652607 /nfs/dbraw/zinc/65/26/07/662652607.db2.gz FGEDKVVGAHNQSU-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CN1CC[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)S1(=O)=O ZINC000982165417 662652609 /nfs/dbraw/zinc/65/26/09/662652609.db2.gz FGEDKVVGAHNQSU-LLVKDONJSA-N 1 1 305.400 -1.453 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201538 662653308 /nfs/dbraw/zinc/65/33/08/662653308.db2.gz SQDCHLRHXMURGT-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201538 662653309 /nfs/dbraw/zinc/65/33/09/662653309.db2.gz SQDCHLRHXMURGT-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ncnn3)C[C@@]2(C)C1 ZINC000982281259 662654463 /nfs/dbraw/zinc/65/44/63/662654463.db2.gz RIFKQCFOJLXQTL-HONMWMINSA-N 1 1 321.385 -1.283 20 0 DAADMO C[C@]12CN(C(=O)Cn3ncnn3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982280637 662654474 /nfs/dbraw/zinc/65/44/74/662654474.db2.gz CFXLAVQYYIDHAN-BETUJISGSA-N 1 1 307.358 -1.671 20 0 DAADMO C[C@]12CN(C(=O)Cn3ncnn3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982280637 662654475 /nfs/dbraw/zinc/65/44/75/662654475.db2.gz CFXLAVQYYIDHAN-BETUJISGSA-N 1 1 307.358 -1.671 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@]3(C)C[N@H+](CC(N)=O)C[C@]3(C)C2)NC1=O ZINC000982428310 662658525 /nfs/dbraw/zinc/65/85/25/662658525.db2.gz GXETWDQPPJNZFJ-KMUNFCNLSA-N 1 1 323.397 -1.334 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@]3(C)C[N@@H+](CC(N)=O)C[C@]3(C)C2)NC1=O ZINC000982428310 662658527 /nfs/dbraw/zinc/65/85/27/662658527.db2.gz GXETWDQPPJNZFJ-KMUNFCNLSA-N 1 1 323.397 -1.334 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000982426675 662658783 /nfs/dbraw/zinc/65/87/83/662658783.db2.gz YHUITGLQXJMRPR-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982428729 662658932 /nfs/dbraw/zinc/65/89/32/662658932.db2.gz KRZHPSBKWKYPPQ-KMUNFCNLSA-N 1 1 308.382 -1.222 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCNC3=O)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982428729 662658933 /nfs/dbraw/zinc/65/89/33/662658933.db2.gz KRZHPSBKWKYPPQ-KMUNFCNLSA-N 1 1 308.382 -1.222 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000936906889 662659606 /nfs/dbraw/zinc/65/96/06/662659606.db2.gz WFKHJOBASQPUID-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000982433260 662659676 /nfs/dbraw/zinc/65/96/76/662659676.db2.gz WEBROQBAECWYLD-NEPJUHHUSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000982433269 662659777 /nfs/dbraw/zinc/65/97/77/662659777.db2.gz WEBROQBAECWYLD-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452538 662659840 /nfs/dbraw/zinc/65/98/40/662659840.db2.gz KFGOQCCPXGRUNQ-FZQKWOKYSA-N 1 1 321.385 -1.132 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)c3nnn(C)n3)C[C@@]2(C)C1 ZINC000982452538 662659841 /nfs/dbraw/zinc/65/98/41/662659841.db2.gz KFGOQCCPXGRUNQ-FZQKWOKYSA-N 1 1 321.385 -1.132 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000982433266 662659848 /nfs/dbraw/zinc/65/98/48/662659848.db2.gz WEBROQBAECWYLD-RYUDHWBXSA-N 1 1 321.385 -1.411 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946365 662660966 /nfs/dbraw/zinc/66/09/66/662660966.db2.gz CENWDJAAHMAOEU-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946365 662660967 /nfs/dbraw/zinc/66/09/67/662660967.db2.gz CENWDJAAHMAOEU-QWRGUYRKSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946366 662660996 /nfs/dbraw/zinc/66/09/96/662660996.db2.gz CENWDJAAHMAOEU-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000936946366 662660995 /nfs/dbraw/zinc/66/09/95/662660995.db2.gz CENWDJAAHMAOEU-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCNC2=O)ccc1=O ZINC001028302598 662665320 /nfs/dbraw/zinc/66/53/20/662665320.db2.gz UFZYHQORIJDPFY-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCNC2=O)ccc1=O ZINC001028302598 662665322 /nfs/dbraw/zinc/66/53/22/662665322.db2.gz UFZYHQORIJDPFY-ZYHUDNBSSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313051 662667191 /nfs/dbraw/zinc/66/71/91/662667191.db2.gz VEDVPHCHBHRSPT-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001028313051 662667192 /nfs/dbraw/zinc/66/71/92/662667192.db2.gz VEDVPHCHBHRSPT-BDAKNGLRSA-N 1 1 323.353 -1.446 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326091 662667240 /nfs/dbraw/zinc/66/72/40/662667240.db2.gz PPWZCOLHCPJLAT-BDAKNGLRSA-N 1 1 304.372 -2.256 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001028326091 662667245 /nfs/dbraw/zinc/66/72/45/662667245.db2.gz PPWZCOLHCPJLAT-BDAKNGLRSA-N 1 1 304.372 -2.256 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334845 662668612 /nfs/dbraw/zinc/66/86/12/662668612.db2.gz JCGCSSSRYCXSCE-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001028334845 662668614 /nfs/dbraw/zinc/66/86/14/662668614.db2.gz JCGCSSSRYCXSCE-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420756 662671432 /nfs/dbraw/zinc/67/14/32/662671432.db2.gz OMLCNJIPPHCBFR-NWDGAFQWSA-N 1 1 320.411 -1.116 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCO2)C1 ZINC001028420756 662671435 /nfs/dbraw/zinc/67/14/35/662671435.db2.gz OMLCNJIPPHCBFR-NWDGAFQWSA-N 1 1 320.411 -1.116 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001028449111 662671845 /nfs/dbraw/zinc/67/18/45/662671845.db2.gz VDPDFSCOHDAAPN-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCC(=O)N1 ZINC001028443106 662672150 /nfs/dbraw/zinc/67/21/50/662672150.db2.gz JUXRFIPTYGDAKD-VXGBXAGGSA-N 1 1 306.370 -1.005 20 0 DAADMO CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001028464874 662672634 /nfs/dbraw/zinc/67/26/34/662672634.db2.gz GRPINOKVUPZBPW-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000982555746 662672955 /nfs/dbraw/zinc/67/29/55/662672955.db2.gz XHXPELYWHLDRAN-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558429 662673607 /nfs/dbraw/zinc/67/36/07/662673607.db2.gz GVNWXIZPUPHPNE-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000982558429 662673609 /nfs/dbraw/zinc/67/36/09/662673609.db2.gz GVNWXIZPUPHPNE-MNOVXSKESA-N 1 1 312.370 -1.843 20 0 DAADMO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001028505648 662674375 /nfs/dbraw/zinc/67/43/75/662674375.db2.gz JWCUUBOFGCJJAP-YPMHNXCESA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)O1 ZINC001038395123 662675033 /nfs/dbraw/zinc/67/50/33/662675033.db2.gz BCDAGPAJWYJUBY-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2CC(=O)N(C)C)O1 ZINC001038395123 662675035 /nfs/dbraw/zinc/67/50/35/662675035.db2.gz BCDAGPAJWYJUBY-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001028532921 662675151 /nfs/dbraw/zinc/67/51/51/662675151.db2.gz SNOBLUKVUQPUJC-GHMZBOCLSA-N 1 1 324.385 -1.150 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001028531268 662675449 /nfs/dbraw/zinc/67/54/49/662675449.db2.gz DXSNVFBCBHUWCR-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO COCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001028531268 662675450 /nfs/dbraw/zinc/67/54/50/662675450.db2.gz DXSNVFBCBHUWCR-JTQLQIEISA-N 1 1 310.358 -1.539 20 0 DAADMO C[C@]12CN(C(=O)CN3CC(=O)NC3=O)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982651208 662676095 /nfs/dbraw/zinc/67/60/95/662676095.db2.gz HHAHOKHQJTVUPU-GASCZTMLSA-N 1 1 324.381 -1.299 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001028583725 662678260 /nfs/dbraw/zinc/67/82/60/662678260.db2.gz YNLAULSMVDMTHJ-VXGBXAGGSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982744392 662678410 /nfs/dbraw/zinc/67/84/10/662678410.db2.gz IWFHEIILMOJXLK-NZVBXONLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982744392 662678411 /nfs/dbraw/zinc/67/84/11/662678411.db2.gz IWFHEIILMOJXLK-NZVBXONLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001028583724 662678653 /nfs/dbraw/zinc/67/86/53/662678653.db2.gz YNLAULSMVDMTHJ-RYUDHWBXSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@]12CN(C(=O)Cn3cncn3)C[C@@]1(C)C[N@H+](CC(N)=O)C2 ZINC000982783273 662679385 /nfs/dbraw/zinc/67/93/85/662679385.db2.gz ARVNRNHCTNIHGW-OKILXGFUSA-N 1 1 306.370 -1.066 20 0 DAADMO C[C@]12CN(C(=O)Cn3cncn3)C[C@@]1(C)C[N@@H+](CC(N)=O)C2 ZINC000982783273 662679390 /nfs/dbraw/zinc/67/93/90/662679390.db2.gz ARVNRNHCTNIHGW-OKILXGFUSA-N 1 1 306.370 -1.066 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001028596670 662680978 /nfs/dbraw/zinc/68/09/78/662680978.db2.gz JFHUFONKLKTMET-MRVPVSSYSA-N 1 1 303.326 -1.110 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCCNC(=O)C2)CC1 ZINC000726848595 662681074 /nfs/dbraw/zinc/68/10/74/662681074.db2.gz BJOFKEFVGNLPLF-UHFFFAOYSA-N 1 1 311.386 -1.318 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055320 662681280 /nfs/dbraw/zinc/68/12/80/662681280.db2.gz CTUYPKYQDSQFBD-GHMZBOCLSA-N 1 1 321.385 -1.308 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC000991724719 662681330 /nfs/dbraw/zinc/68/13/30/662681330.db2.gz WPWUSSJFDRPPEQ-VIFPVBQESA-N 1 1 323.353 -2.183 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001028602027 662681365 /nfs/dbraw/zinc/68/13/65/662681365.db2.gz BYDNWKZLSQZOKD-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001028640679 662682413 /nfs/dbraw/zinc/68/24/13/662682413.db2.gz UNHIMPWYASGRIZ-GHMZBOCLSA-N 1 1 309.370 -1.024 20 0 DAADMO CS(=O)(=O)CCN1CC[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001028650391 662682434 /nfs/dbraw/zinc/68/24/34/662682434.db2.gz ZICXMGMPVAANLV-VIFPVBQESA-N 1 1 301.372 -1.099 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001028641327 662682576 /nfs/dbraw/zinc/68/25/76/662682576.db2.gz DMQOKOIWTIMGSJ-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001028641326 662682729 /nfs/dbraw/zinc/68/27/29/662682729.db2.gz DMQOKOIWTIMGSJ-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cn[nH]n1 ZINC001028652905 662682998 /nfs/dbraw/zinc/68/29/98/662682998.db2.gz HDSMVXHTXKCJIL-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001028652905 662683000 /nfs/dbraw/zinc/68/30/00/662683000.db2.gz HDSMVXHTXKCJIL-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1cnn[nH]1 ZINC001028652905 662683002 /nfs/dbraw/zinc/68/30/02/662683002.db2.gz HDSMVXHTXKCJIL-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)o1 ZINC001028658847 662683563 /nfs/dbraw/zinc/68/35/63/662683563.db2.gz IWRHMONVKHMNDU-SECBINFHSA-N 1 1 317.367 -1.029 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3nnnn3c2)C1 ZINC001028686165 662685087 /nfs/dbraw/zinc/68/50/87/662685087.db2.gz HSQWEJOBCUYARK-VIFPVBQESA-N 1 1 303.326 -1.339 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001028682395 662685151 /nfs/dbraw/zinc/68/51/51/662685151.db2.gz HYEXXTPDDDDHJI-QMMMGPOBSA-N 1 1 303.326 -1.110 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001028682395 662685153 /nfs/dbraw/zinc/68/51/53/662685153.db2.gz HYEXXTPDDDDHJI-QMMMGPOBSA-N 1 1 303.326 -1.110 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116189 662685430 /nfs/dbraw/zinc/68/54/30/662685430.db2.gz UQEBPAVJWPIFMP-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000983116189 662685432 /nfs/dbraw/zinc/68/54/32/662685432.db2.gz UQEBPAVJWPIFMP-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@H]3CC[N@@H+](CC(N)=O)C3)cnc21 ZINC001028694633 662685453 /nfs/dbraw/zinc/68/54/53/662685453.db2.gz DMRXPJFNIWFTDX-VIFPVBQESA-N 1 1 317.353 -1.100 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167452 662686480 /nfs/dbraw/zinc/68/64/80/662686480.db2.gz KJRWAVBAQIXQFG-ZYHUDNBSSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167452 662686481 /nfs/dbraw/zinc/68/64/81/662686481.db2.gz KJRWAVBAQIXQFG-ZYHUDNBSSA-N 1 1 323.353 -1.022 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028701048 662686484 /nfs/dbraw/zinc/68/64/84/662686484.db2.gz SXAQJEGTBNLCNQ-SNVBAGLBSA-N 1 1 307.354 -1.422 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001028707136 662686509 /nfs/dbraw/zinc/68/65/09/662686509.db2.gz JSSYODKQKFSLKM-ONGXEEELSA-N 1 1 320.353 -1.711 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001028702936 662686512 /nfs/dbraw/zinc/68/65/12/662686512.db2.gz OISPXZWXNIYRGO-UWVGGRQHSA-N 1 1 307.354 -1.294 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167448 662686565 /nfs/dbraw/zinc/68/65/65/662686565.db2.gz KJRWAVBAQIXQFG-PWSUYJOCSA-N 1 1 323.353 -1.022 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000983167448 662686567 /nfs/dbraw/zinc/68/65/67/662686567.db2.gz KJRWAVBAQIXQFG-PWSUYJOCSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001028707737 662686751 /nfs/dbraw/zinc/68/67/51/662686751.db2.gz WMOHZSTYAGDSFG-UWVGGRQHSA-N 1 1 303.384 -1.642 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206717 662688324 /nfs/dbraw/zinc/68/83/24/662688324.db2.gz TUFUVGRXFQPGDW-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000983206717 662688325 /nfs/dbraw/zinc/68/83/25/662688325.db2.gz TUFUVGRXFQPGDW-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740480 662689056 /nfs/dbraw/zinc/68/90/56/662689056.db2.gz QOWUPUPEJXFTHC-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC001028740480 662689057 /nfs/dbraw/zinc/68/90/57/662689057.db2.gz QOWUPUPEJXFTHC-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001028737556 662689296 /nfs/dbraw/zinc/68/92/96/662689296.db2.gz ZKCZEJGCIGWIFW-VXGBXAGGSA-N 1 1 308.382 -1.207 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001028740144 662689301 /nfs/dbraw/zinc/68/93/01/662689301.db2.gz OLFQSRVVOBZUMH-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)n1 ZINC001028744013 662689436 /nfs/dbraw/zinc/68/94/36/662689436.db2.gz GTMQEJWQIICOKI-NXEZZACHSA-N 1 1 307.358 -1.460 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001028737553 662689512 /nfs/dbraw/zinc/68/95/12/662689512.db2.gz ZKCZEJGCIGWIFW-NEPJUHHUSA-N 1 1 308.382 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC001028743164 662689685 /nfs/dbraw/zinc/68/96/85/662689685.db2.gz BKFNUXSVLMCMID-LLVKDONJSA-N 1 1 321.385 -1.116 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)n1 ZINC001028748935 662689785 /nfs/dbraw/zinc/68/97/85/662689785.db2.gz PLALNRDIQRPNBM-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001028746057 662690017 /nfs/dbraw/zinc/69/00/17/662690017.db2.gz MHBDGJVOHDWXCR-NXEZZACHSA-N 1 1 321.385 -1.071 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n1 ZINC001028748395 662690190 /nfs/dbraw/zinc/69/01/90/662690190.db2.gz LFXRNWOMDKLGDK-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CNC(=O)N1 ZINC001028772654 662690357 /nfs/dbraw/zinc/69/03/57/662690357.db2.gz FESYMYAZGKFDGO-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028772576 662690448 /nfs/dbraw/zinc/69/04/48/662690448.db2.gz DASPRFGCZXEGPM-ONGXEEELSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028772576 662690452 /nfs/dbraw/zinc/69/04/52/662690452.db2.gz DASPRFGCZXEGPM-ONGXEEELSA-N 1 1 307.358 -1.565 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001028772339 662690738 /nfs/dbraw/zinc/69/07/38/662690738.db2.gz CGNUMHZSAJNVGA-MNOVXSKESA-N 1 1 307.358 -1.602 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001028773350 662690822 /nfs/dbraw/zinc/69/08/22/662690822.db2.gz KZKWWWFRPWKJQS-PWSUYJOCSA-N 1 1 323.397 -1.273 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001028773375 662690943 /nfs/dbraw/zinc/69/09/43/662690943.db2.gz LFLXXTRTZSTVOU-QWRGUYRKSA-N 1 1 324.385 -1.869 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028772573 662691000 /nfs/dbraw/zinc/69/10/00/662691000.db2.gz DASPRFGCZXEGPM-KOLCDFICSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001028772573 662691001 /nfs/dbraw/zinc/69/10/01/662691001.db2.gz DASPRFGCZXEGPM-KOLCDFICSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772375 662691003 /nfs/dbraw/zinc/69/10/03/662691003.db2.gz CRPDVHVFSYDVAA-KOLCDFICSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001028772375 662691004 /nfs/dbraw/zinc/69/10/04/662691004.db2.gz CRPDVHVFSYDVAA-KOLCDFICSA-N 1 1 307.358 -1.565 20 0 DAADMO Cn1nnc2c1C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)CC2 ZINC001028764510 662691025 /nfs/dbraw/zinc/69/10/25/662691025.db2.gz HYYPQMKCSWMRFI-WDEREUQCSA-N 1 1 320.397 -1.157 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)[C@@H]1CNC(=O)N1 ZINC001028772340 662691043 /nfs/dbraw/zinc/69/10/43/662691043.db2.gz CGNUMHZSAJNVGA-QWRGUYRKSA-N 1 1 307.358 -1.602 20 0 DAADMO CCn1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028774508 662691366 /nfs/dbraw/zinc/69/13/66/662691366.db2.gz XPMOMIJEZJQYRJ-ZYHUDNBSSA-N 1 1 321.385 -1.083 20 0 DAADMO CCn1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)nn1 ZINC001028774508 662691367 /nfs/dbraw/zinc/69/13/67/662691367.db2.gz XPMOMIJEZJQYRJ-ZYHUDNBSSA-N 1 1 321.385 -1.083 20 0 DAADMO NS(=O)(=O)C1(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCC1 ZINC000928145863 662691453 /nfs/dbraw/zinc/69/14/53/662691453.db2.gz USAKWOSDBYNYOI-NSHDSACASA-N 1 1 316.427 -1.296 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001028773268 662691669 /nfs/dbraw/zinc/69/16/69/662691669.db2.gz KMRMDEJGWRVVIX-MNOVXSKESA-N 1 1 309.370 -1.662 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001028774016 662691838 /nfs/dbraw/zinc/69/18/38/662691838.db2.gz QZTCQJDADADGIG-GXSJLCMTSA-N 1 1 309.370 -1.616 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807660 662692072 /nfs/dbraw/zinc/69/20/72/662692072.db2.gz OWJODICRHNEMTL-WCQGTBRESA-N 1 1 306.370 -1.125 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001028807660 662692073 /nfs/dbraw/zinc/69/20/73/662692073.db2.gz OWJODICRHNEMTL-WCQGTBRESA-N 1 1 306.370 -1.125 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001028816367 662692219 /nfs/dbraw/zinc/69/22/19/662692219.db2.gz CJXKSYVGZPXLEL-MNOVXSKESA-N 1 1 321.385 -1.451 20 0 DAADMO CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924985543 662692292 /nfs/dbraw/zinc/69/22/92/662692292.db2.gz CBZMRWHBVYVFMS-MXWKQRLJSA-N 1 1 307.416 -1.259 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cnon1 ZINC001028882536 662692919 /nfs/dbraw/zinc/69/29/19/662692919.db2.gz IABSJCIAKRIEBB-WCBMZHEXSA-N 1 1 307.310 -1.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865850 662692931 /nfs/dbraw/zinc/69/29/31/662692931.db2.gz BWZSIALQNJXDEJ-SNVBAGLBSA-N 1 1 324.381 -1.435 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001028862425 662692980 /nfs/dbraw/zinc/69/29/80/662692980.db2.gz RHWHQQLNKBSVJM-NWDGAFQWSA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1)N1CCOCC1 ZINC001028880542 662693194 /nfs/dbraw/zinc/69/31/94/662693194.db2.gz GRBBSNBCXPHXEV-LLVKDONJSA-N 1 1 323.353 -1.020 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)S1(=O)=O ZINC001028862036 662693413 /nfs/dbraw/zinc/69/34/13/662693413.db2.gz KDTHUIYKBKXDDA-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)S1(=O)=O ZINC001028862471 662693420 /nfs/dbraw/zinc/69/34/20/662693420.db2.gz SGPZWLCRAGDTTH-WDEREUQCSA-N 1 1 305.400 -1.549 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)S1(=O)=O ZINC001028862468 662693439 /nfs/dbraw/zinc/69/34/39/662693439.db2.gz SGPZWLCRAGDTTH-GHMZBOCLSA-N 1 1 305.400 -1.549 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1nnc[nH]1 ZINC001028877993 662693442 /nfs/dbraw/zinc/69/34/42/662693442.db2.gz GHGHKTGERGDNLD-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001028877993 662693444 /nfs/dbraw/zinc/69/34/44/662693444.db2.gz GHGHKTGERGDNLD-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1ncn[nH]1 ZINC001028877993 662693446 /nfs/dbraw/zinc/69/34/46/662693446.db2.gz GHGHKTGERGDNLD-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001028877993 662693447 /nfs/dbraw/zinc/69/34/47/662693447.db2.gz GHGHKTGERGDNLD-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)c1nc[nH]n1 ZINC001028877993 662693449 /nfs/dbraw/zinc/69/34/49/662693449.db2.gz GHGHKTGERGDNLD-VIFPVBQESA-N 1 1 321.341 -1.592 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028865960 662693479 /nfs/dbraw/zinc/69/34/79/662693479.db2.gz CQRGBTIZZNWUFB-IUCAKERBSA-N 1 1 310.354 -1.649 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CC(=O)NC(=O)C1 ZINC001028866715 662693482 /nfs/dbraw/zinc/69/34/82/662693482.db2.gz SGWXLUHKBWFNQH-GXSJLCMTSA-N 1 1 322.365 -1.634 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877520 662693490 /nfs/dbraw/zinc/69/34/90/662693490.db2.gz VTQHYAGBBSTCJD-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001028877520 662693491 /nfs/dbraw/zinc/69/34/91/662693491.db2.gz VTQHYAGBBSTCJD-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001028877520 662693492 /nfs/dbraw/zinc/69/34/92/662693492.db2.gz VTQHYAGBBSTCJD-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877520 662693493 /nfs/dbraw/zinc/69/34/93/662693493.db2.gz VTQHYAGBBSTCJD-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001028877520 662693494 /nfs/dbraw/zinc/69/34/94/662693494.db2.gz VTQHYAGBBSTCJD-JTQLQIEISA-N 1 1 307.358 -1.118 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001028866384 662693496 /nfs/dbraw/zinc/69/34/96/662693496.db2.gz LXBVJQOPNHQVAF-MWLCHTKSSA-N 1 1 324.381 -1.259 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+](CCO)C1)C1CC2(C1)NC(=O)NC2=O ZINC001028864032 662693502 /nfs/dbraw/zinc/69/35/02/662693502.db2.gz ITCLMTDYYBJQKT-IPWFMCSPSA-N 1 1 310.354 -1.595 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)n1 ZINC001028865322 662693522 /nfs/dbraw/zinc/69/35/22/662693522.db2.gz PCNVFKRCMHRUNX-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)n1 ZINC001028865322 662693524 /nfs/dbraw/zinc/69/35/24/662693524.db2.gz PCNVFKRCMHRUNX-JTQLQIEISA-N 1 1 315.399 -1.089 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936480 662693732 /nfs/dbraw/zinc/69/37/32/662693732.db2.gz YJFXHWXBKPFDSN-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001028936480 662693733 /nfs/dbraw/zinc/69/37/33/662693733.db2.gz YJFXHWXBKPFDSN-MNOVXSKESA-N 1 1 317.411 -1.252 20 0 DAADMO C[C@@H](C(=O)N(C)CC(=O)NCC[N@@H+](C)CCO)n1cccn1 ZINC000925009338 662694102 /nfs/dbraw/zinc/69/41/02/662694102.db2.gz GRBVBGYEGRDODF-LBPRGKRZSA-N 1 1 311.386 -1.057 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001028920572 662694214 /nfs/dbraw/zinc/69/42/14/662694214.db2.gz BQMFHRLZHBTWRG-GHMZBOCLSA-N 1 1 311.386 -1.157 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001028926782 662694294 /nfs/dbraw/zinc/69/42/94/662694294.db2.gz RKTSYUVXJLOWGG-VHSXEESVSA-N 1 1 306.370 -1.167 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)ccc1=O ZINC001028971481 662694441 /nfs/dbraw/zinc/69/44/41/662694441.db2.gz PCQRVXKRWBIPNR-CMPLNLGQSA-N 1 1 319.365 -1.280 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)C1 ZINC001028974919 662694674 /nfs/dbraw/zinc/69/46/74/662694674.db2.gz UCMWVEKIKXKRHZ-VIFPVBQESA-N 1 1 320.353 -1.627 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H]3CC[N@H+](CC(N)=O)C3)nn21 ZINC001028969208 662694701 /nfs/dbraw/zinc/69/47/01/662694701.db2.gz CGMKSQLDONNDHT-SNVBAGLBSA-N 1 1 317.353 -1.030 20 0 DAADMO Cc1ccnc2nc(C(=O)NC[C@H]3CC[N@@H+](CC(N)=O)C3)nn21 ZINC001028969208 662694702 /nfs/dbraw/zinc/69/47/02/662694702.db2.gz CGMKSQLDONNDHT-SNVBAGLBSA-N 1 1 317.353 -1.030 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001028990943 662694705 /nfs/dbraw/zinc/69/47/05/662694705.db2.gz UVBVSKGOQZIPGG-UWVGGRQHSA-N 1 1 318.399 -2.138 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001028970996 662694752 /nfs/dbraw/zinc/69/47/52/662694752.db2.gz DJOKFPIDAGOKKU-NXEZZACHSA-N 1 1 307.354 -1.294 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cccnc2C(N)=O)C1 ZINC001028998894 662694997 /nfs/dbraw/zinc/69/49/97/662694997.db2.gz BJFTYRSIHFTLST-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001029000820 662695042 /nfs/dbraw/zinc/69/50/42/662695042.db2.gz KJNGTTCROBKMBB-MNOVXSKESA-N 1 1 306.370 -1.236 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029015296 662695134 /nfs/dbraw/zinc/69/51/34/662695134.db2.gz VGKWDHJQEBWXLT-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029015296 662695137 /nfs/dbraw/zinc/69/51/37/662695137.db2.gz VGKWDHJQEBWXLT-SECBINFHSA-N 1 1 305.338 -1.283 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029006545 662695158 /nfs/dbraw/zinc/69/51/58/662695158.db2.gz KHTZUXFBZPOZCG-LLVKDONJSA-N 1 1 323.397 -1.136 20 0 DAADMO CCN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC)C2)C1 ZINC001028995242 662695272 /nfs/dbraw/zinc/69/52/72/662695272.db2.gz JWZUHDAREAHEDI-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029003461 662695376 /nfs/dbraw/zinc/69/53/76/662695376.db2.gz IQYVWOYSVJMKEW-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001029014559 662695394 /nfs/dbraw/zinc/69/53/94/662695394.db2.gz CXLHQXDXZXONRE-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001029000620 662695422 /nfs/dbraw/zinc/69/54/22/662695422.db2.gz GLJRUNOFQDCEOI-DTWKUNHWSA-N 1 1 323.357 -2.311 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001029022914 662695786 /nfs/dbraw/zinc/69/57/86/662695786.db2.gz VVBUYWCAUQGSLT-QWRGUYRKSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001029028040 662695864 /nfs/dbraw/zinc/69/58/64/662695864.db2.gz YEKFDSCWMBLWAP-SNVBAGLBSA-N 1 1 319.365 -1.022 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)C1 ZINC000983543868 662696097 /nfs/dbraw/zinc/69/60/97/662696097.db2.gz RWBMCKAXTDUBEO-UMSPYCQHSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)C1CCN(C(=O)CC(N)=O)CC1 ZINC001029072386 662696411 /nfs/dbraw/zinc/69/64/11/662696411.db2.gz UWQRDOSZOHBQPW-SECBINFHSA-N 1 1 309.374 -1.198 20 0 DAADMO Cc1nc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)n[nH]1 ZINC000983633645 662696945 /nfs/dbraw/zinc/69/69/45/662696945.db2.gz IWGVTPNQYNTGPG-MGCOHNPYSA-N 1 1 319.373 -1.136 20 0 DAADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000909437495 662698434 /nfs/dbraw/zinc/69/84/34/662698434.db2.gz LGERZWVXELDVMF-JTQLQIEISA-N 1 1 305.400 -1.597 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000909437495 662698436 /nfs/dbraw/zinc/69/84/36/662698436.db2.gz LGERZWVXELDVMF-JTQLQIEISA-N 1 1 305.400 -1.597 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001029246909 662698001 /nfs/dbraw/zinc/69/80/01/662698001.db2.gz WWCYARLKCHVQMC-PHIMTYICSA-N 1 1 322.365 -1.314 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CCC1=O ZINC001029246909 662698003 /nfs/dbraw/zinc/69/80/03/662698003.db2.gz WWCYARLKCHVQMC-PHIMTYICSA-N 1 1 322.365 -1.314 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698290 /nfs/dbraw/zinc/69/82/90/662698290.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 1 1 322.409 -1.119 20 0 DAADMO CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)C1 ZINC001029254903 662698292 /nfs/dbraw/zinc/69/82/92/662698292.db2.gz GPSIAFBBFHSAKP-RFQIPJPRSA-N 1 1 322.409 -1.119 20 0 DAADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000909437496 662698528 /nfs/dbraw/zinc/69/85/28/662698528.db2.gz LGERZWVXELDVMF-SNVBAGLBSA-N 1 1 305.400 -1.597 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000909437496 662698529 /nfs/dbraw/zinc/69/85/29/662698529.db2.gz LGERZWVXELDVMF-SNVBAGLBSA-N 1 1 305.400 -1.597 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698539 /nfs/dbraw/zinc/69/85/39/662698539.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 1 1 322.409 -1.119 20 0 DAADMO CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)C1 ZINC001029254902 662698540 /nfs/dbraw/zinc/69/85/40/662698540.db2.gz GPSIAFBBFHSAKP-CRWXNKLISA-N 1 1 322.409 -1.119 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)no1 ZINC000937510196 662699171 /nfs/dbraw/zinc/69/91/71/662699171.db2.gz DZGOHZNQHIESNO-IUCAKERBSA-N 1 1 321.337 -1.353 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001029295767 662699676 /nfs/dbraw/zinc/69/96/76/662699676.db2.gz BBXRRUGGFFOPJK-JFGNBEQYSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001029295767 662699677 /nfs/dbraw/zinc/69/96/77/662699677.db2.gz BBXRRUGGFFOPJK-JFGNBEQYSA-N 1 1 304.354 -1.008 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)n1 ZINC001029314081 662700272 /nfs/dbraw/zinc/70/02/72/662700272.db2.gz AACRTYVEUGJZOH-AOOOYVTPSA-N 1 1 308.342 -1.956 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000984047723 662700830 /nfs/dbraw/zinc/70/08/30/662700830.db2.gz ZDAYWFHFYNZMGS-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000984047723 662700833 /nfs/dbraw/zinc/70/08/33/662700833.db2.gz ZDAYWFHFYNZMGS-WDEREUQCSA-N 1 1 312.370 -1.748 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029340297 662700842 /nfs/dbraw/zinc/70/08/42/662700842.db2.gz KLHNOEDHWYCVIP-BETUJISGSA-N 1 1 311.382 -1.097 20 0 DAADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928558334 662701488 /nfs/dbraw/zinc/70/14/88/662701488.db2.gz BDKJYQCUGVOBMU-ZJUUUORDSA-N 1 1 315.399 -1.093 20 0 DAADMO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC000928570355 662702334 /nfs/dbraw/zinc/70/23/34/662702334.db2.gz SWGWSNBVHIQZNK-SECBINFHSA-N 1 1 301.372 -1.481 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)NC1=O ZINC001029422371 662703447 /nfs/dbraw/zinc/70/34/47/662703447.db2.gz AKURHZAEUKEZEB-WRWGMCAJSA-N 1 1 321.381 -1.426 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)n1 ZINC001029428451 662703644 /nfs/dbraw/zinc/70/36/44/662703644.db2.gz UMNHGIIVCVURNT-KXUCPTDWSA-N 1 1 305.342 -1.613 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CCNC2=O)n1 ZINC001029428451 662703646 /nfs/dbraw/zinc/70/36/46/662703646.db2.gz UMNHGIIVCVURNT-KXUCPTDWSA-N 1 1 305.342 -1.613 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)n1 ZINC001029428450 662703701 /nfs/dbraw/zinc/70/37/01/662703701.db2.gz UMNHGIIVCVURNT-AEJSXWLSSA-N 1 1 305.342 -1.613 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001029428450 662703702 /nfs/dbraw/zinc/70/37/02/662703702.db2.gz UMNHGIIVCVURNT-AEJSXWLSSA-N 1 1 305.342 -1.613 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029445588 662704282 /nfs/dbraw/zinc/70/42/82/662704282.db2.gz TZWXXSPHIDCLTM-WRWGMCAJSA-N 1 1 321.381 -1.378 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC001029450745 662704431 /nfs/dbraw/zinc/70/44/31/662704431.db2.gz XEXHQWOXNVMFTB-GRYCIOLGSA-N 1 1 307.354 -1.596 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001029450745 662704432 /nfs/dbraw/zinc/70/44/32/662704432.db2.gz XEXHQWOXNVMFTB-GRYCIOLGSA-N 1 1 307.354 -1.596 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000727852947 662706752 /nfs/dbraw/zinc/70/67/52/662706752.db2.gz ANEPEPPNRXRZBR-VXGBXAGGSA-N 1 1 322.365 -1.094 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)CC1 ZINC000896229848 662706848 /nfs/dbraw/zinc/70/68/48/662706848.db2.gz IWZGONPLEZBRFP-LBPRGKRZSA-N 1 1 323.397 -1.366 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000727852944 662706873 /nfs/dbraw/zinc/70/68/73/662706873.db2.gz ANEPEPPNRXRZBR-NEPJUHHUSA-N 1 1 322.365 -1.094 20 0 DAADMO Cn1cnc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000896229795 662706883 /nfs/dbraw/zinc/70/68/83/662706883.db2.gz IBTMIFZLSFIHMY-UHFFFAOYSA-N 1 1 321.385 -1.060 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896548721 662707091 /nfs/dbraw/zinc/70/70/91/662707091.db2.gz NQAFNMXVZZGXGD-STQMWFEESA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896548721 662707093 /nfs/dbraw/zinc/70/70/93/662707093.db2.gz NQAFNMXVZZGXGD-STQMWFEESA-N 1 1 311.430 -1.489 20 0 DAADMO C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896548721 662707094 /nfs/dbraw/zinc/70/70/94/662707094.db2.gz NQAFNMXVZZGXGD-STQMWFEESA-N 1 1 311.430 -1.489 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C(N)=O ZINC000984729801 662707576 /nfs/dbraw/zinc/70/75/76/662707576.db2.gz HUZDLUZYZIUTHT-HBNTYKKESA-N 1 1 312.370 -1.702 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C(N)=O ZINC000984729801 662707577 /nfs/dbraw/zinc/70/75/77/662707577.db2.gz HUZDLUZYZIUTHT-HBNTYKKESA-N 1 1 312.370 -1.702 20 0 DAADMO COCCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984725667 662707809 /nfs/dbraw/zinc/70/78/09/662707809.db2.gz QOMATCBLCHPZOJ-KYZUINATSA-N 1 1 311.342 -1.272 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)n1 ZINC000984924613 662708530 /nfs/dbraw/zinc/70/85/30/662708530.db2.gz JKJXVUPCKJZJEM-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)S1(=O)=O ZINC001029511058 662708577 /nfs/dbraw/zinc/70/85/77/662708577.db2.gz VTDMCWQWDNASLH-TUAOUCFPSA-N 1 1 317.411 -1.312 20 0 DAADMO CN1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)S1(=O)=O ZINC001029511058 662708579 /nfs/dbraw/zinc/70/85/79/662708579.db2.gz VTDMCWQWDNASLH-TUAOUCFPSA-N 1 1 317.411 -1.312 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC000984918879 662708617 /nfs/dbraw/zinc/70/86/17/662708617.db2.gz LIFHSXIOEXQYCU-GMTAPVOTSA-N 1 1 321.385 -1.137 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)n1 ZINC001029513449 662708622 /nfs/dbraw/zinc/70/86/22/662708622.db2.gz CECCOMRXJFNGPS-UMNHJUIQSA-N 1 1 304.354 -1.008 20 0 DAADMO Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CCNC2=O)n1 ZINC001029513449 662708623 /nfs/dbraw/zinc/70/86/23/662708623.db2.gz CECCOMRXJFNGPS-UMNHJUIQSA-N 1 1 304.354 -1.008 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000985021773 662708904 /nfs/dbraw/zinc/70/89/04/662708904.db2.gz OTJXEZOCKWAKQR-GUBZILKMSA-N 1 1 320.353 -1.363 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n1 ZINC000985049238 662708910 /nfs/dbraw/zinc/70/89/10/662708910.db2.gz DVWNXEFGULPXSZ-GUBZILKMSA-N 1 1 307.358 -1.527 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029570334 662709797 /nfs/dbraw/zinc/70/97/97/662709797.db2.gz STVASEPITQWDCB-MJBXVCDLSA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@@H+](C1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CCCNC1=O ZINC000985254946 662709881 /nfs/dbraw/zinc/70/98/81/662709881.db2.gz WKHCLAKWPDJUEQ-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254332 662709958 /nfs/dbraw/zinc/70/99/58/662709958.db2.gz OJHPFJWNTISDBN-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985252802 662710107 /nfs/dbraw/zinc/71/01/07/662710107.db2.gz AHHTWSXKVASPLM-LLVKDONJSA-N 1 1 309.374 -1.140 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029577601 662710264 /nfs/dbraw/zinc/71/02/64/662710264.db2.gz ZCKJFFJTGYNORX-PHIMTYICSA-N 1 1 310.354 -1.404 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)c(=O)[nH]c1=O ZINC001029581854 662710617 /nfs/dbraw/zinc/71/06/17/662710617.db2.gz BVOLESZPTBGBKD-AOOOYVTPSA-N 1 1 308.338 -1.233 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCNC1=O ZINC001029641668 662710898 /nfs/dbraw/zinc/71/08/98/662710898.db2.gz NNYGNBRMPLIVLA-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cnnn2)C1)[C@H]1CCNC1=O ZINC001029641669 662711192 /nfs/dbraw/zinc/71/11/92/662711192.db2.gz NNYGNBRMPLIVLA-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cn3ncnn3)CC2)C1=O ZINC000985432139 662711239 /nfs/dbraw/zinc/71/12/39/662711239.db2.gz DLPFVIWSNLPCBW-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001029736909 662711593 /nfs/dbraw/zinc/71/15/93/662711593.db2.gz CXTPVQVDQKDREX-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cn3ncnn3)C2)nn1 ZINC001029736909 662711596 /nfs/dbraw/zinc/71/15/96/662711596.db2.gz CXTPVQVDQKDREX-LLVKDONJSA-N 1 1 319.373 -1.218 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2ncnn2)C1)[C@H]1CCNC1=O ZINC001029737952 662711641 /nfs/dbraw/zinc/71/16/41/662711641.db2.gz QGNYQBNAWBUFGT-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000985474713 662711713 /nfs/dbraw/zinc/71/17/13/662711713.db2.gz VWNLBYZDTJIMAW-ONGXEEELSA-N 1 1 312.370 -1.112 20 0 DAADMO Cn1cnn(CCC(=O)N2CCC([N@@H+](C)CCO)CC2)c1=O ZINC000985552004 662712008 /nfs/dbraw/zinc/71/20/08/662712008.db2.gz BTNJHTMHNOPRIN-UHFFFAOYSA-N 1 1 311.386 -1.113 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)C(N)=O)C1)C[C@H]1CCS(=O)(=O)C1 ZINC001029823145 662712445 /nfs/dbraw/zinc/71/24/45/662712445.db2.gz QSZFYEPKCYFBAD-WDEREUQCSA-N 1 1 317.411 -1.313 20 0 DAADMO Cn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001029805839 662712513 /nfs/dbraw/zinc/71/25/13/662712513.db2.gz DIRGKBHAHKSTRD-SNVBAGLBSA-N 1 1 319.373 -1.067 20 0 DAADMO Cn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001029805839 662712515 /nfs/dbraw/zinc/71/25/15/662712515.db2.gz DIRGKBHAHKSTRD-SNVBAGLBSA-N 1 1 319.373 -1.067 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000985573004 662712534 /nfs/dbraw/zinc/71/25/34/662712534.db2.gz CEKQMOLVQLDHBR-ONGXEEELSA-N 1 1 311.386 -1.193 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC001029805774 662712554 /nfs/dbraw/zinc/71/25/54/662712554.db2.gz CLTXJSYRCRCWGS-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)[C@@H]1CCNC1=O ZINC001029825701 662712749 /nfs/dbraw/zinc/71/27/49/662712749.db2.gz SQVCOCVHBLSWJK-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)C(N)=O)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC001029823143 662712759 /nfs/dbraw/zinc/71/27/59/662712759.db2.gz QSZFYEPKCYFBAD-MNOVXSKESA-N 1 1 317.411 -1.313 20 0 DAADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001029822049 662712832 /nfs/dbraw/zinc/71/28/32/662712832.db2.gz XVSUQAUTQFFTPF-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)nn1 ZINC001029822049 662712836 /nfs/dbraw/zinc/71/28/36/662712836.db2.gz XVSUQAUTQFFTPF-JQWIXIFHSA-N 1 1 321.385 -1.223 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)C(N)=O)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC001029823144 662712895 /nfs/dbraw/zinc/71/28/95/662712895.db2.gz QSZFYEPKCYFBAD-QWRGUYRKSA-N 1 1 317.411 -1.313 20 0 DAADMO C[N@@H+]([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607931 662713176 /nfs/dbraw/zinc/71/31/76/662713176.db2.gz LNXHEDVBWMLHMA-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC000985618295 662713189 /nfs/dbraw/zinc/71/31/89/662713189.db2.gz QRRXEAWXTCBVNP-RYUDHWBXSA-N 1 1 323.397 -1.179 20 0 DAADMO C[N@@H+](CCn1cncn1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985618755 662713198 /nfs/dbraw/zinc/71/31/98/662713198.db2.gz WOFBIKNBOQBLKH-GFCCVEGCSA-N 1 1 321.385 -1.118 20 0 DAADMO Cn1cnnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607131 662713211 /nfs/dbraw/zinc/71/32/11/662713211.db2.gz FKGMCFAUDZMFMJ-NSHDSACASA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1cnnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985607131 662713212 /nfs/dbraw/zinc/71/32/12/662713212.db2.gz FKGMCFAUDZMFMJ-NSHDSACASA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC000985608262 662713218 /nfs/dbraw/zinc/71/32/18/662713218.db2.gz OVGSVAWLCRTUDQ-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1ncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)n1 ZINC000985608262 662713219 /nfs/dbraw/zinc/71/32/19/662713219.db2.gz OVGSVAWLCRTUDQ-LBPRGKRZSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnc(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)n1 ZINC000985584404 662713228 /nfs/dbraw/zinc/71/32/28/662713228.db2.gz BSQRKSUNLCAUHV-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613221 662713250 /nfs/dbraw/zinc/71/32/50/662713250.db2.gz LIGKOZUYMMFSKV-JTQLQIEISA-N 1 1 317.411 -1.171 20 0 DAADMO C[N@@H+](CC(=O)N1CCC1)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985607172 662713419 /nfs/dbraw/zinc/71/34/19/662713419.db2.gz GLCCDCLMTWRRIW-GFCCVEGCSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985617929 662713446 /nfs/dbraw/zinc/71/34/46/662713446.db2.gz ODIZCJPYDDECLQ-WDEREUQCSA-N 1 1 311.386 -1.146 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CCCO ZINC000947820671 662713713 /nfs/dbraw/zinc/71/37/13/662713713.db2.gz MQGKTXXYPAVVBR-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000985703383 662713813 /nfs/dbraw/zinc/71/38/13/662713813.db2.gz AWJGITUOUZVKJQ-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO CC(C)(CNS(C)(=O)=O)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000928857204 662713992 /nfs/dbraw/zinc/71/39/92/662713992.db2.gz HXLGEPVQCACSDH-NSHDSACASA-N 1 1 318.443 -1.180 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000985805461 662714053 /nfs/dbraw/zinc/71/40/53/662714053.db2.gz YGVFOJOONSTUTB-JTQLQIEISA-N 1 1 324.385 -1.319 20 0 DAADMO C[N@@H+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000985815610 662714246 /nfs/dbraw/zinc/71/42/46/662714246.db2.gz HNGJLAAQVMGOBV-VIFPVBQESA-N 1 1 310.354 -1.553 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000985804552 662714273 /nfs/dbraw/zinc/71/42/73/662714273.db2.gz RQWBRAAKBSFYMA-UHFFFAOYSA-N 1 1 310.358 -1.708 20 0 DAADMO C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000985793942 662714282 /nfs/dbraw/zinc/71/42/82/662714282.db2.gz WOPSVYHUJGSPKM-LLVKDONJSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC([N@@H+](C)CCO)CC2)C1=O ZINC000985781932 662714338 /nfs/dbraw/zinc/71/43/38/662714338.db2.gz MPDMKQUBVIJDPH-UHFFFAOYSA-N 1 1 312.370 -1.205 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)Cn1cnnn1 ZINC000985946950 662715205 /nfs/dbraw/zinc/71/52/05/662715205.db2.gz SXJOYHVHWCYJOE-GXSJLCMTSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1nccnc1N ZINC000986067497 662715404 /nfs/dbraw/zinc/71/54/04/662715404.db2.gz JTXYQSSQGRSSLZ-BDAKNGLRSA-N 1 1 317.357 -1.025 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CS(C)(=O)=O ZINC000986037055 662715438 /nfs/dbraw/zinc/71/54/38/662715438.db2.gz AQCYMJRILKRISB-MWLCHTKSSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CS(C)(=O)=O ZINC000986043865 662715583 /nfs/dbraw/zinc/71/55/83/662715583.db2.gz SGTSDBFKYJXEHI-ONGXEEELSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CS(C)(=O)=O ZINC000986039935 662715601 /nfs/dbraw/zinc/71/56/01/662715601.db2.gz IZXYOQUWUAYVPH-IUCAKERBSA-N 1 1 316.387 -1.666 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986153129 662715793 /nfs/dbraw/zinc/71/57/93/662715793.db2.gz UWFNQNWTJZVMMB-RKDXNWHRSA-N 1 1 321.345 -1.714 20 0 DAADMO C[N@@H+](C[C@@H]1CCN(C(=O)Cn2cncn2)C1)[C@@H]1CCNC1=O ZINC001029900324 662715833 /nfs/dbraw/zinc/71/58/33/662715833.db2.gz SUYCIIDNSSJPHU-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)CC(N)=O ZINC000986112508 662715849 /nfs/dbraw/zinc/71/58/49/662715849.db2.gz OIRLEZWHROPWPQ-PSASIEDQSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnnn2C2CC2)CCN1C(=O)CC(N)=O ZINC000986112520 662715884 /nfs/dbraw/zinc/71/58/84/662715884.db2.gz OIRLEZWHROPWPQ-WCBMZHEXSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986153128 662715951 /nfs/dbraw/zinc/71/59/51/662715951.db2.gz UWFNQNWTJZVMMB-IUCAKERBSA-N 1 1 321.345 -1.714 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)c1ncn(C)n1 ZINC000986237129 662716133 /nfs/dbraw/zinc/71/61/33/662716133.db2.gz XSXYSFFUXOTAAM-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cn(C)nn2)CCN1C(=O)CN1CN=NC1=O ZINC000986182015 662716242 /nfs/dbraw/zinc/71/62/42/662716242.db2.gz HPCFTLPOUZABNW-ONGXEEELSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CN1CN=NC1=O ZINC000986185272 662716274 /nfs/dbraw/zinc/71/62/74/662716274.db2.gz NYGYKFQPKWGDFG-MWLCHTKSSA-N 1 1 320.357 -1.109 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986183717 662716322 /nfs/dbraw/zinc/71/63/22/662716322.db2.gz LCRIZLRQNAKWRS-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)[C@@H]2C)C1 ZINC000986207479 662716423 /nfs/dbraw/zinc/71/64/23/662716423.db2.gz OQQZHKYLFXPOOM-CABZTGNLSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CN1CN=NC1=O ZINC000986183708 662716579 /nfs/dbraw/zinc/71/65/79/662716579.db2.gz LCRIZLRQNAKWRS-NXEZZACHSA-N 1 1 320.357 -1.109 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([NH2+]Cc3nnnn3C)[C@@H]2C)[nH]1 ZINC000986254116 662716841 /nfs/dbraw/zinc/71/68/41/662716841.db2.gz VYZZLTONIPZGPP-WCBMZHEXSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1nccn1 ZINC000986331042 662717303 /nfs/dbraw/zinc/71/73/03/662717303.db2.gz CVWORTVABDRDEM-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986448479 662717332 /nfs/dbraw/zinc/71/73/32/662717332.db2.gz RNJZJHWVJYQNAY-KOLCDFICSA-N 1 1 321.341 -1.256 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2ncnn2C)CCN1C(=O)c1nnn(C)n1 ZINC000986658275 662718464 /nfs/dbraw/zinc/71/84/64/662718464.db2.gz SUJPQCUKNVFYNB-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986674048 662718816 /nfs/dbraw/zinc/71/88/16/662718816.db2.gz ZIARVTWSGXDNJH-PWSUYJOCSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nnc3n2CCOC3)CCN1C(=O)C(N)=O ZINC000986777358 662718922 /nfs/dbraw/zinc/71/89/22/662718922.db2.gz HILMQXQMURGBPB-DTWKUNHWSA-N 1 1 308.342 -1.627 20 0 DAADMO Cn1nnc(C(=O)N2CCC(C[N@@H+](C)[C@@H]3CCNC3=O)CC2)n1 ZINC001029986327 662719163 /nfs/dbraw/zinc/71/91/63/662719163.db2.gz AYSWSEXSRXZVPB-LLVKDONJSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CCn1cnnn1 ZINC000987249817 662721751 /nfs/dbraw/zinc/72/17/51/662721751.db2.gz QPESBMOZPHYVRF-WDEREUQCSA-N 1 1 319.373 -1.029 20 0 DAADMO CNC(=O)CC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000170783319 662722014 /nfs/dbraw/zinc/72/20/14/662722014.db2.gz DOSMYRJIRPSRSM-UHFFFAOYSA-N 1 1 322.369 -1.498 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000987306205 662722373 /nfs/dbraw/zinc/72/23/73/662722373.db2.gz SZOWGFBBVYQAIA-WOPDTQHZSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cn1cncn1 ZINC000987470976 662722851 /nfs/dbraw/zinc/72/28/51/662722851.db2.gz KFNAWNDQRKCILA-ZJUUUORDSA-N 1 1 305.346 -1.419 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)Cn1cnnn1 ZINC000987447379 662722887 /nfs/dbraw/zinc/72/28/87/662722887.db2.gz CQBYKGOZXKOHCG-WOPDTQHZSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1[C@H]([NH2+]Cc2cnon2)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987482599 662722925 /nfs/dbraw/zinc/72/29/25/662722925.db2.gz PTWCOQJABMYEJD-WCBMZHEXSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)Cn1cnnn1 ZINC000987990218 662724096 /nfs/dbraw/zinc/72/40/96/662724096.db2.gz DPXLGBFILDVAQX-IUCAKERBSA-N 1 1 306.334 -2.024 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000988175914 662724459 /nfs/dbraw/zinc/72/44/59/662724459.db2.gz VEYAGQIDYBIBBV-GRYCIOLGSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CS(C)(=O)=O ZINC000988213335 662724655 /nfs/dbraw/zinc/72/46/55/662724655.db2.gz CEKKWSQCVYZRAG-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CN1C(=O)CS(C)(=O)=O ZINC000988214555 662725164 /nfs/dbraw/zinc/72/51/64/662725164.db2.gz FHIVHSXKUDRKEX-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CS(C)(=O)=O ZINC000988284259 662725743 /nfs/dbraw/zinc/72/57/43/662725743.db2.gz WRXDWAIXFWPWIT-NXEZZACHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)CS(C)(=O)=O ZINC000988284262 662725863 /nfs/dbraw/zinc/72/58/63/662725863.db2.gz WRXDWAIXFWPWIT-UWVGGRQHSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000937656258 662726100 /nfs/dbraw/zinc/72/61/00/662726100.db2.gz LNRHQBQCWYJGJW-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000897510387 662728765 /nfs/dbraw/zinc/72/87/65/662728765.db2.gz SAJHADVNQDIGSE-NSHDSACASA-N 1 1 311.386 -1.190 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)CN1CN=NC1=O ZINC000988663881 662729918 /nfs/dbraw/zinc/72/99/18/662729918.db2.gz DRUAXILVYGGROZ-ZJUUUORDSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000937755593 662730191 /nfs/dbraw/zinc/73/01/91/662730191.db2.gz HRHNCQXGELZYSI-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CN1CN=NC1=O ZINC000988666126 662730208 /nfs/dbraw/zinc/73/02/08/662730208.db2.gz JCEOUXZTCQZSJR-VHSXEESVSA-N 1 1 320.357 -1.109 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000937745376 662730219 /nfs/dbraw/zinc/73/02/19/662730219.db2.gz HLOATOOTRTYXMX-WDEREUQCSA-N 1 1 307.358 -1.516 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000937778984 662730703 /nfs/dbraw/zinc/73/07/03/662730703.db2.gz KLRPXCDOPYXMIS-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000937778984 662730706 /nfs/dbraw/zinc/73/07/06/662730706.db2.gz KLRPXCDOPYXMIS-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000937780023 662730745 /nfs/dbraw/zinc/73/07/45/662730745.db2.gz RDGLQIPVNMTDMD-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cnon3)C2)C1 ZINC000937780023 662730747 /nfs/dbraw/zinc/73/07/47/662730747.db2.gz RDGLQIPVNMTDMD-GXSJLCMTSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937781513 662730887 /nfs/dbraw/zinc/73/08/87/662730887.db2.gz NKCYJDDJICGMKR-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937781513 662730889 /nfs/dbraw/zinc/73/08/89/662730889.db2.gz NKCYJDDJICGMKR-QWRGUYRKSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000937771823 662730905 /nfs/dbraw/zinc/73/09/05/662730905.db2.gz GULSEUDODSXOMU-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000937771823 662730909 /nfs/dbraw/zinc/73/09/09/662730909.db2.gz GULSEUDODSXOMU-QWHCGFSZSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937779050 662730957 /nfs/dbraw/zinc/73/09/57/662730957.db2.gz KXQKJDXXIRVTSG-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1 ZINC000937779050 662730959 /nfs/dbraw/zinc/73/09/59/662730959.db2.gz KXQKJDXXIRVTSG-WDEREUQCSA-N 1 1 323.357 -2.279 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000937779116 662731067 /nfs/dbraw/zinc/73/10/67/662731067.db2.gz LLEZHEXSWKTOQM-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000937779116 662731069 /nfs/dbraw/zinc/73/10/69/662731069.db2.gz LLEZHEXSWKTOQM-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NC(=O)CN3CCOCC3)C2)C1 ZINC000937849774 662732159 /nfs/dbraw/zinc/73/21/59/662732159.db2.gz UWOKBZBDWCHQMR-KGLIPLIRSA-N 1 1 324.425 -1.013 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000937982545 662736428 /nfs/dbraw/zinc/73/64/28/662736428.db2.gz GIYAOQZFXYOOCR-JTQLQIEISA-N 1 1 318.341 -1.254 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1 ZINC000937976679 662736434 /nfs/dbraw/zinc/73/64/34/662736434.db2.gz UIKKAPPKFJIPTR-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000937977663 662736614 /nfs/dbraw/zinc/73/66/14/662736614.db2.gz UMACTUDRSOITIA-ZJUUUORDSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000937977808 662736653 /nfs/dbraw/zinc/73/66/53/662736653.db2.gz FSTLDEGUHMXHHU-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937977412 662736733 /nfs/dbraw/zinc/73/67/33/662736733.db2.gz AEXICBHGCSEGIE-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000937976904 662736794 /nfs/dbraw/zinc/73/67/94/662736794.db2.gz WNPMVRVDMWKNHV-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1 ZINC000937977411 662736805 /nfs/dbraw/zinc/73/68/05/662736805.db2.gz AEXICBHGCSEGIE-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000938002044 662737691 /nfs/dbraw/zinc/73/76/91/662737691.db2.gz IUOAHGLGYDTLGZ-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000938039830 662738247 /nfs/dbraw/zinc/73/82/47/662738247.db2.gz SEHJBWPQGRDZAU-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000938047432 662738544 /nfs/dbraw/zinc/73/85/44/662738544.db2.gz TWYSTHAKFMVUFU-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000938047432 662738546 /nfs/dbraw/zinc/73/85/46/662738546.db2.gz TWYSTHAKFMVUFU-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)Cn1ncnn1 ZINC000988840656 662739335 /nfs/dbraw/zinc/73/93/35/662739335.db2.gz XRJJCUDPROESOZ-UWVGGRQHSA-N 1 1 305.346 -1.419 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C[C@@H]2C)[nH]1 ZINC000988824588 662739564 /nfs/dbraw/zinc/73/95/64/662739564.db2.gz IEDFWMUXPNDLCZ-WPRPVWTQSA-N 1 1 319.373 -1.042 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)Cn1ncn(C)c1=O ZINC000989069462 662741149 /nfs/dbraw/zinc/74/11/49/662741149.db2.gz OFEJJDWZHGGFOM-ZJUUUORDSA-N 1 1 321.341 -1.256 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000938103905 662741327 /nfs/dbraw/zinc/74/13/27/662741327.db2.gz AQAFTNPBGPVBFP-VHSXEESVSA-N 1 1 305.338 -1.037 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296559 662742605 /nfs/dbraw/zinc/74/26/05/662742605.db2.gz VKWMZTWIWZCASL-GHMZBOCLSA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296563 662742828 /nfs/dbraw/zinc/74/28/28/662742828.db2.gz VKWMZTWIWZCASL-MNOVXSKESA-N 1 1 322.369 -1.420 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)c1nnn(C)n1 ZINC000989308927 662743003 /nfs/dbraw/zinc/74/30/03/662743003.db2.gz RGCLZWLHGVHFTN-DTWKUNHWSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989309212 662743014 /nfs/dbraw/zinc/74/30/14/662743014.db2.gz SSUQGVZKGBDYNR-HTQZYQBOSA-N 1 1 306.334 -1.874 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)CN1C(=O)c1nnn(C)n1 ZINC000989310138 662743214 /nfs/dbraw/zinc/74/32/14/662743214.db2.gz YTCSKKHXPHDWDS-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)c1nnn(C)n1 ZINC000989310260 662743324 /nfs/dbraw/zinc/74/33/24/662743324.db2.gz ZRBJNRDARPOFAS-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nn2)CN1C(=O)c1nnn(C)n1 ZINC000989308926 662743481 /nfs/dbraw/zinc/74/34/81/662743481.db2.gz RGCLZWLHGVHFTN-BDAKNGLRSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989365173 662743795 /nfs/dbraw/zinc/74/37/95/662743795.db2.gz LNSZYYPTVLOMKC-DTWKUNHWSA-N 1 1 318.341 -1.314 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000989333672 662744103 /nfs/dbraw/zinc/74/41/03/662744103.db2.gz IDOYDHQTZDVFJG-MXWKQRLJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CN1C(=O)C(N)=O ZINC000989385189 662744341 /nfs/dbraw/zinc/74/43/41/662744341.db2.gz RHWWRKLYRBTHFN-BDAKNGLRSA-N 1 1 308.342 -1.627 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[N@H+](CCCO)CC1 ZINC000989421648 662744994 /nfs/dbraw/zinc/74/49/94/662744994.db2.gz BBNRLCUVQYJBLS-UHFFFAOYSA-N 1 1 312.370 -1.155 20 0 DAADMO O=C(NCCN1CCNC1=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000897668403 662745049 /nfs/dbraw/zinc/74/50/49/662745049.db2.gz FUUMOSFSSQDGER-GFCCVEGCSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCCN1CCNC1=O)[N@@H+](C)C1CC1 ZINC000897650529 662745387 /nfs/dbraw/zinc/74/53/87/662745387.db2.gz ZQSAOXHUCVJDQH-JTQLQIEISA-N 1 1 311.386 -1.273 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000989422472 662745478 /nfs/dbraw/zinc/74/54/78/662745478.db2.gz LSSFXUGXNDPXDS-NSHDSACASA-N 1 1 312.370 -1.157 20 0 DAADMO Cn1cc(CN2CCN(C)CC[N@@H+](C)CC2)c(=O)n(C)c1=O ZINC000897855149 662745694 /nfs/dbraw/zinc/74/56/94/662745694.db2.gz VEWUBXWAFCBYAU-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO Cn1cc(C[NH+]2CCN(C)CCN(C)CC2)c(=O)n(C)c1=O ZINC000897855149 662745696 /nfs/dbraw/zinc/74/56/96/662745696.db2.gz VEWUBXWAFCBYAU-UHFFFAOYSA-N 1 1 309.414 -1.237 20 0 DAADMO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000898037677 662746675 /nfs/dbraw/zinc/74/66/75/662746675.db2.gz UPOCXAYVCVWWSS-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000898037677 662746677 /nfs/dbraw/zinc/74/66/77/662746677.db2.gz UPOCXAYVCVWWSS-UWVGGRQHSA-N 1 1 303.384 -1.500 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCNC2=O)C1 ZINC000898127676 662747040 /nfs/dbraw/zinc/74/70/40/662747040.db2.gz IEYMEDXSNATHMP-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2nc[nH]n2)CC1 ZINC000898323442 662747239 /nfs/dbraw/zinc/74/72/39/662747239.db2.gz ISWJSCQBSDWZGT-GFCCVEGCSA-N 1 1 305.386 -1.157 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000898143153 662747412 /nfs/dbraw/zinc/74/74/12/662747412.db2.gz YROXCFADEPUGQE-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000898143153 662747414 /nfs/dbraw/zinc/74/74/14/662747414.db2.gz YROXCFADEPUGQE-LBPRGKRZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CN1C(=O)c1cnn(C)n1 ZINC000989549053 662747975 /nfs/dbraw/zinc/74/79/75/662747975.db2.gz DWDCOSQVCPGQBR-IUCAKERBSA-N 1 1 305.346 -1.269 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC000989596870 662748727 /nfs/dbraw/zinc/74/87/27/662748727.db2.gz LWLGRBWXMFLERQ-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC000989596870 662748729 /nfs/dbraw/zinc/74/87/29/662748729.db2.gz LWLGRBWXMFLERQ-VWYCJHECSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000989626309 662749417 /nfs/dbraw/zinc/74/94/17/662749417.db2.gz XHZOQCUQMOFELD-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)n2)CN1C(=O)CCn1cnnn1 ZINC000989602171 662749466 /nfs/dbraw/zinc/74/94/66/662749466.db2.gz SDMFRERSLMGTSD-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CN1C(=O)CCn1cnnn1 ZINC000989602925 662749791 /nfs/dbraw/zinc/74/97/91/662749791.db2.gz ZSHPYGNFZVYUQU-VHSXEESVSA-N 1 1 320.361 -1.634 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989623978 662749801 /nfs/dbraw/zinc/74/98/01/662749801.db2.gz PUKYXSVCDKNRJO-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989623978 662749802 /nfs/dbraw/zinc/74/98/02/662749802.db2.gz PUKYXSVCDKNRJO-JTQLQIEISA-N 1 1 323.353 -2.039 20 0 DAADMO O=C(Cn1cncn1)N1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989619764 662749805 /nfs/dbraw/zinc/74/98/05/662749805.db2.gz PNGSKIFCQVEPTO-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO O=C(Cn1cncn1)N1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000989619764 662749807 /nfs/dbraw/zinc/74/98/07/662749807.db2.gz PNGSKIFCQVEPTO-NSHDSACASA-N 1 1 320.353 -1.382 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)cn1 ZINC001014425972 662749985 /nfs/dbraw/zinc/74/99/85/662749985.db2.gz FONRHZJOUNMYJE-LBPRGKRZSA-N 1 1 304.358 -1.160 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000989689064 662750168 /nfs/dbraw/zinc/75/01/68/662750168.db2.gz BGBUANUJRKUIFP-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001014424163 662750222 /nfs/dbraw/zinc/75/02/22/662750222.db2.gz ADUYPHXFTOOHJF-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001014424163 662750225 /nfs/dbraw/zinc/75/02/25/662750225.db2.gz ADUYPHXFTOOHJF-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000989689065 662750358 /nfs/dbraw/zinc/75/03/58/662750358.db2.gz BGBUANUJRKUIFP-QWRGUYRKSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001014424184 662750377 /nfs/dbraw/zinc/75/03/77/662750377.db2.gz ADUYPHXFTOOHJF-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001014424184 662750379 /nfs/dbraw/zinc/75/03/79/662750379.db2.gz ADUYPHXFTOOHJF-NSHDSACASA-N 1 1 307.358 -1.514 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989629932 662750403 /nfs/dbraw/zinc/75/04/03/662750403.db2.gz PNAXQHIDJFMULO-UHFFFAOYSA-N 1 1 324.381 -1.242 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000989629932 662750404 /nfs/dbraw/zinc/75/04/04/662750404.db2.gz PNAXQHIDJFMULO-UHFFFAOYSA-N 1 1 324.381 -1.242 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC001014424449 662750428 /nfs/dbraw/zinc/75/04/28/662750428.db2.gz BVLGULXYWWJLDR-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC001014424449 662750430 /nfs/dbraw/zinc/75/04/30/662750430.db2.gz BVLGULXYWWJLDR-GFCCVEGCSA-N 1 1 321.385 -1.124 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815897 662751565 /nfs/dbraw/zinc/75/15/65/662751565.db2.gz PUOCKTIRZXDGFU-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989815897 662751567 /nfs/dbraw/zinc/75/15/67/662751567.db2.gz PUOCKTIRZXDGFU-MNOVXSKESA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989806659 662751633 /nfs/dbraw/zinc/75/16/33/662751633.db2.gz JZISCPBJPIYZMW-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989806659 662751635 /nfs/dbraw/zinc/75/16/35/662751635.db2.gz JZISCPBJPIYZMW-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815899 662751731 /nfs/dbraw/zinc/75/17/31/662751731.db2.gz PUOCKTIRZXDGFU-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989815899 662751732 /nfs/dbraw/zinc/75/17/32/662751732.db2.gz PUOCKTIRZXDGFU-WDEREUQCSA-N 1 1 324.381 -1.163 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(NC(=O)Cn3cnnn3)CCC[C@H]12 ZINC000989940587 662751926 /nfs/dbraw/zinc/75/19/26/662751926.db2.gz XPNDFOAQMGWNTA-MJVIPROJSA-N 1 1 321.385 -1.079 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000990120390 662753314 /nfs/dbraw/zinc/75/33/14/662753314.db2.gz GWADUMJGAGELID-YWPYICTPSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000990120390 662753317 /nfs/dbraw/zinc/75/33/17/662753317.db2.gz GWADUMJGAGELID-YWPYICTPSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)C1 ZINC000990120387 662753364 /nfs/dbraw/zinc/75/33/64/662753364.db2.gz GWADUMJGAGELID-HUBLWGQQSA-N 1 1 310.398 -1.085 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)C1 ZINC000990120387 662753365 /nfs/dbraw/zinc/75/33/65/662753365.db2.gz GWADUMJGAGELID-HUBLWGQQSA-N 1 1 310.398 -1.085 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990189090 662755605 /nfs/dbraw/zinc/75/56/05/662755605.db2.gz QGSKBOHVCZOPOG-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000990189090 662755607 /nfs/dbraw/zinc/75/56/07/662755607.db2.gz QGSKBOHVCZOPOG-LLVKDONJSA-N 1 1 323.357 -2.279 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990190241 662756146 /nfs/dbraw/zinc/75/61/46/662756146.db2.gz XTKGOTKLTGTBEB-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990241782 662757336 /nfs/dbraw/zinc/75/73/36/662757336.db2.gz NRWWNYFAVNUFAC-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cn3cccn3)C2)C1 ZINC000990241782 662757338 /nfs/dbraw/zinc/75/73/38/662757338.db2.gz NRWWNYFAVNUFAC-ZDUSSCGKSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)C1 ZINC000990277245 662758716 /nfs/dbraw/zinc/75/87/16/662758716.db2.gz VOJQUQZFMKSMQG-NWDGAFQWSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3COCCO3)C2)C1 ZINC000990277245 662758718 /nfs/dbraw/zinc/75/87/18/662758718.db2.gz VOJQUQZFMKSMQG-NWDGAFQWSA-N 1 1 313.354 -1.941 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990303831 662759055 /nfs/dbraw/zinc/75/90/55/662759055.db2.gz VBDHUKVMMRTWIU-LBPRGKRZSA-N 1 1 308.338 -1.066 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnsn3)C2)C1 ZINC000990333808 662759365 /nfs/dbraw/zinc/75/93/65/662759365.db2.gz RVXFJWCWBMQPDB-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cnsn3)C2)C1 ZINC000990333808 662759368 /nfs/dbraw/zinc/75/93/68/662759368.db2.gz RVXFJWCWBMQPDB-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@H]12 ZINC000990310288 662759516 /nfs/dbraw/zinc/75/95/16/662759516.db2.gz ZBYINDDHUIMVNX-HZMBPMFUSA-N 1 1 322.369 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990310291 662759540 /nfs/dbraw/zinc/75/95/40/662759540.db2.gz ZBYINDDHUIMVNX-QMTHXVAHSA-N 1 1 322.369 -1.157 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@]2(NC(=O)CN3CN=NC3=O)CCC[C@@H]12 ZINC000990331834 662759678 /nfs/dbraw/zinc/75/96/78/662759678.db2.gz UVHLQVLVEFWGSB-RULNRJAQSA-N 1 1 322.369 -1.029 20 0 DAADMO Cc1cnn(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990367930 662760357 /nfs/dbraw/zinc/76/03/57/662760357.db2.gz RFEDAQIESNHFAZ-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1cnn(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990367930 662760359 /nfs/dbraw/zinc/76/03/59/662760359.db2.gz RFEDAQIESNHFAZ-CYBMUJFWSA-N 1 1 321.381 -1.151 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)c3nccnc3N)CC2)n1 ZINC000990390132 662760522 /nfs/dbraw/zinc/76/05/22/662760522.db2.gz YQHJDJSOKDWXIC-UHFFFAOYSA-N 1 1 317.357 -1.023 20 0 DAADMO Cn1cc(CC(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC000990437925 662761695 /nfs/dbraw/zinc/76/16/95/662761695.db2.gz QRFQTEYSLPOILP-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO Cn1cc(CC(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC000990437925 662761696 /nfs/dbraw/zinc/76/16/96/662761696.db2.gz QRFQTEYSLPOILP-CYBMUJFWSA-N 1 1 321.381 -1.380 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3COC(=O)N3)CCC[C@@H]12 ZINC000990480095 662762642 /nfs/dbraw/zinc/76/26/42/662762642.db2.gz WNWHJFUFCFKVNS-IMSIIYSGSA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000990484994 662763075 /nfs/dbraw/zinc/76/30/75/662763075.db2.gz BDEQDXCGOYHJLE-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990493686 662763154 /nfs/dbraw/zinc/76/31/54/662763154.db2.gz OQPABOSDXRUINO-LLVKDONJSA-N 1 1 305.338 -1.203 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000990496700 662763399 /nfs/dbraw/zinc/76/33/99/662763399.db2.gz WRDIKOUBEXWMPA-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1ncc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000990496700 662763401 /nfs/dbraw/zinc/76/34/01/662763401.db2.gz WRDIKOUBEXWMPA-LBPRGKRZSA-N 1 1 307.354 -1.011 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1=O ZINC000990507274 662763638 /nfs/dbraw/zinc/76/36/38/662763638.db2.gz GEOYNJHBDDQXDZ-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000990511309 662763685 /nfs/dbraw/zinc/76/36/85/662763685.db2.gz TVGAOMZOEHRBSU-KOLCDFICSA-N 1 1 322.365 -1.540 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000990511308 662763849 /nfs/dbraw/zinc/76/38/49/662763849.db2.gz TVGAOMZOEHRBSU-GXSJLCMTSA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990518725 662764151 /nfs/dbraw/zinc/76/41/51/662764151.db2.gz QSECPIJTKWQRIG-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000990509790 662764227 /nfs/dbraw/zinc/76/42/27/662764227.db2.gz LTIZJFUKFOQIER-NEPJUHHUSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000990509818 662764261 /nfs/dbraw/zinc/76/42/61/662764261.db2.gz MFNQZGWIKOYFHM-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000990520027 662764349 /nfs/dbraw/zinc/76/43/49/662764349.db2.gz VOWDEFZDJFIILL-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000990521795 662764563 /nfs/dbraw/zinc/76/45/63/662764563.db2.gz GQHWHRMJVLHUMC-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000990524162 662764881 /nfs/dbraw/zinc/76/48/81/662764881.db2.gz OKKILRBVLUIVFJ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000990527841 662765088 /nfs/dbraw/zinc/76/50/88/662765088.db2.gz XMTSXJCWHHYUGO-SNVBAGLBSA-N 1 1 323.353 -2.041 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990596764 662766179 /nfs/dbraw/zinc/76/61/79/662766179.db2.gz HHSKSFHXHRSVRL-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)C1 ZINC000990596764 662766182 /nfs/dbraw/zinc/76/61/82/662766182.db2.gz HHSKSFHXHRSVRL-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)O1 ZINC000990604746 662766654 /nfs/dbraw/zinc/76/66/54/662766654.db2.gz QRYPZBWJYBCDAM-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3cc[nH]n3)C2)O1 ZINC000990604746 662766656 /nfs/dbraw/zinc/76/66/56/662766656.db2.gz QRYPZBWJYBCDAM-ZWNOBZJWSA-N 1 1 321.381 -1.002 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000990616009 662766994 /nfs/dbraw/zinc/76/69/94/662766994.db2.gz FXZBMDZEQBQECK-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3=O)C2)C1 ZINC000990616009 662766995 /nfs/dbraw/zinc/76/69/95/662766995.db2.gz FXZBMDZEQBQECK-GFCCVEGCSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990616498 662767021 /nfs/dbraw/zinc/76/70/21/662767021.db2.gz JVQJIAQZRXENJU-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC000990616498 662767022 /nfs/dbraw/zinc/76/70/22/662767022.db2.gz JVQJIAQZRXENJU-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000990615598 662767040 /nfs/dbraw/zinc/76/70/40/662767040.db2.gz CZVBXJXEFHEYED-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC000990618703 662767089 /nfs/dbraw/zinc/76/70/89/662767089.db2.gz SOBCAHPNECXCSD-LLVKDONJSA-N 1 1 324.337 -1.751 20 0 DAADMO Cn1oc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC000990618703 662767092 /nfs/dbraw/zinc/76/70/92/662767092.db2.gz SOBCAHPNECXCSD-LLVKDONJSA-N 1 1 324.337 -1.751 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cccnn3)C2)C1 ZINC000990617090 662767100 /nfs/dbraw/zinc/76/71/00/662767100.db2.gz NMPAMTHBTDZBNL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cccnn3)C2)C1 ZINC000990617090 662767103 /nfs/dbraw/zinc/76/71/03/662767103.db2.gz NMPAMTHBTDZBNL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC000990615529 662767310 /nfs/dbraw/zinc/76/73/10/662767310.db2.gz CQKKYINYCNONLY-NEPJUHHUSA-N 1 1 313.354 -1.941 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC000990615529 662767313 /nfs/dbraw/zinc/76/73/13/662767313.db2.gz CQKKYINYCNONLY-NEPJUHHUSA-N 1 1 313.354 -1.941 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1C ZINC000990617475 662767326 /nfs/dbraw/zinc/76/73/26/662767326.db2.gz MTIPIBWRJUSUHO-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1C ZINC000990617475 662767328 /nfs/dbraw/zinc/76/73/28/662767328.db2.gz MTIPIBWRJUSUHO-CYBMUJFWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990615974 662767344 /nfs/dbraw/zinc/76/73/44/662767344.db2.gz FEIKYJCSYBQGCF-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1nn(C)cc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990615974 662767345 /nfs/dbraw/zinc/76/73/45/662767345.db2.gz FEIKYJCSYBQGCF-ZDUSSCGKSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ncccn3)C2)C1 ZINC000990616984 662767356 /nfs/dbraw/zinc/76/73/56/662767356.db2.gz MBAMRVUVLFBCLR-NSHDSACASA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3ncccn3)C2)C1 ZINC000990616984 662767357 /nfs/dbraw/zinc/76/73/57/662767357.db2.gz MBAMRVUVLFBCLR-NSHDSACASA-N 1 1 305.338 -1.252 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC000990615286 662767368 /nfs/dbraw/zinc/76/73/68/662767368.db2.gz BOHXYWXVNGYGQR-NSHDSACASA-N 1 1 322.369 -1.687 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC000990615286 662767371 /nfs/dbraw/zinc/76/73/71/662767371.db2.gz BOHXYWXVNGYGQR-NSHDSACASA-N 1 1 322.369 -1.687 20 0 DAADMO Cc1cn(C)nc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990617580 662767418 /nfs/dbraw/zinc/76/74/18/662767418.db2.gz NVAGAXBHRFCBPW-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cn(C)nc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990617580 662767421 /nfs/dbraw/zinc/76/74/21/662767421.db2.gz NVAGAXBHRFCBPW-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ccon3)C2)C1 ZINC000990615301 662767462 /nfs/dbraw/zinc/76/74/62/662767462.db2.gz BSFUWFZCRYCXQM-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cc3ccon3)C2)C1 ZINC000990615301 662767464 /nfs/dbraw/zinc/76/74/64/662767464.db2.gz BSFUWFZCRYCXQM-GFCCVEGCSA-N 1 1 308.338 -1.125 20 0 DAADMO Cn1nncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990617489 662767896 /nfs/dbraw/zinc/76/78/96/662767896.db2.gz MVJHIJYAPYAUBX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cn1nncc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990617489 662767897 /nfs/dbraw/zinc/76/78/97/662767897.db2.gz MVJHIJYAPYAUBX-NSHDSACASA-N 1 1 308.342 -1.914 20 0 DAADMO Cc1nc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c[nH]1 ZINC000990615223 662767931 /nfs/dbraw/zinc/76/79/31/662767931.db2.gz AYJCZINLSPNGDO-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c[nH]1 ZINC000990615223 662767935 /nfs/dbraw/zinc/76/79/35/662767935.db2.gz AYJCZINLSPNGDO-GFCCVEGCSA-N 1 1 307.354 -1.011 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000990618781 662767973 /nfs/dbraw/zinc/76/79/73/662767973.db2.gz TZJPPJBZSYIQCE-JTQLQIEISA-N 1 1 324.341 -2.359 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000990618781 662767978 /nfs/dbraw/zinc/76/79/78/662767978.db2.gz TZJPPJBZSYIQCE-JTQLQIEISA-N 1 1 324.341 -2.359 20 0 DAADMO Cc1nonc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990620521 662768031 /nfs/dbraw/zinc/76/80/31/662768031.db2.gz AYVQZXLFWPRQPA-LBPRGKRZSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nonc1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990620521 662768033 /nfs/dbraw/zinc/76/80/33/662768033.db2.gz AYVQZXLFWPRQPA-LBPRGKRZSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990619188 662768069 /nfs/dbraw/zinc/76/80/69/662768069.db2.gz VEETVLGCJOWWHE-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1c[nH]nc1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990619188 662768072 /nfs/dbraw/zinc/76/80/72/662768072.db2.gz VEETVLGCJOWWHE-LLVKDONJSA-N 1 1 307.354 -1.011 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC000990617963 662768078 /nfs/dbraw/zinc/76/80/78/662768078.db2.gz PQHXBJLCLOYSNX-LLVKDONJSA-N 1 1 323.353 -1.422 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC000990617963 662768080 /nfs/dbraw/zinc/76/80/80/662768080.db2.gz PQHXBJLCLOYSNX-LLVKDONJSA-N 1 1 323.353 -1.422 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000990618008 662768137 /nfs/dbraw/zinc/76/81/37/662768137.db2.gz PZBAMNULQADWRZ-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1cnc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000990618008 662768139 /nfs/dbraw/zinc/76/81/39/662768139.db2.gz PZBAMNULQADWRZ-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000990622982 662768286 /nfs/dbraw/zinc/76/82/86/662768286.db2.gz LDMHIALFRWEXOE-FZMZJTMJSA-N 1 1 315.345 -1.227 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@]3(F)CCOC3)C2)C1 ZINC000990622982 662768287 /nfs/dbraw/zinc/76/82/87/662768287.db2.gz LDMHIALFRWEXOE-FZMZJTMJSA-N 1 1 315.345 -1.227 20 0 DAADMO Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000990620953 662768304 /nfs/dbraw/zinc/76/83/04/662768304.db2.gz CZBLBTDLOOVXHK-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cnn(C)c1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000990620953 662768306 /nfs/dbraw/zinc/76/83/06/662768306.db2.gz CZBLBTDLOOVXHK-GFCCVEGCSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000990620388 662768424 /nfs/dbraw/zinc/76/84/24/662768424.db2.gz ASPAQJBRMUYXPX-ZYHUDNBSSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000990620388 662768427 /nfs/dbraw/zinc/76/84/27/662768427.db2.gz ASPAQJBRMUYXPX-ZYHUDNBSSA-N 1 1 324.381 -1.878 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000990618104 662768466 /nfs/dbraw/zinc/76/84/66/662768466.db2.gz RKLONCIYXGPKJG-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)Cn3cccn3)C2)C1 ZINC000990618104 662768468 /nfs/dbraw/zinc/76/84/68/662768468.db2.gz RKLONCIYXGPKJG-LBPRGKRZSA-N 1 1 307.354 -1.459 20 0 DAADMO Cc1nonc1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000990622529 662768589 /nfs/dbraw/zinc/76/85/89/662768589.db2.gz IWORMZSIIVDBHR-JTQLQIEISA-N 1 1 309.326 -1.351 20 0 DAADMO Cc1nonc1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000990622529 662768591 /nfs/dbraw/zinc/76/85/91/662768591.db2.gz IWORMZSIIVDBHR-JTQLQIEISA-N 1 1 309.326 -1.351 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnccn3)C2)C1 ZINC000990618077 662768611 /nfs/dbraw/zinc/76/86/11/662768611.db2.gz QWBWQSKMZXXDDL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cnccn3)C2)C1 ZINC000990618077 662768613 /nfs/dbraw/zinc/76/86/13/662768613.db2.gz QWBWQSKMZXXDDL-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO Cn1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000990630336 662768759 /nfs/dbraw/zinc/76/87/59/662768759.db2.gz MYHJGPFYPLFAQV-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1ccc(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000990630336 662768761 /nfs/dbraw/zinc/76/87/61/662768761.db2.gz MYHJGPFYPLFAQV-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000990628947 662768922 /nfs/dbraw/zinc/76/89/22/662768922.db2.gz HLVJTUCRCRNVQT-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000990623899 662768946 /nfs/dbraw/zinc/76/89/46/662768946.db2.gz PCECRXCQMCRWFR-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000990623899 662768948 /nfs/dbraw/zinc/76/89/48/662768948.db2.gz PCECRXCQMCRWFR-CMPLNLGQSA-N 1 1 324.381 -1.830 20 0 DAADMO CN1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000990632155 662769139 /nfs/dbraw/zinc/76/91/39/662769139.db2.gz RMBNLJIFKPMBJW-DGCLKSJQSA-N 1 1 310.398 -1.404 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000990625350 662769536 /nfs/dbraw/zinc/76/95/36/662769536.db2.gz SDPNYBTVRIBYCL-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000990625350 662769538 /nfs/dbraw/zinc/76/95/38/662769538.db2.gz SDPNYBTVRIBYCL-NWDGAFQWSA-N 1 1 324.381 -1.878 20 0 DAADMO CN(CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)S(C)(=O)=O ZINC000900191939 662776877 /nfs/dbraw/zinc/77/68/77/662776877.db2.gz KHNJDPWHNYECKN-CMPLNLGQSA-N 1 1 307.416 -1.161 20 0 DAADMO CCN(C(=O)C(=O)NCCN1CCNC1=O)[C@H]1CC[N@@H+](C)C1 ZINC000898693543 662770967 /nfs/dbraw/zinc/77/09/67/662770967.db2.gz TVZLSEWGZWCFRI-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3ncnn3)CCC[C@@H]12 ZINC000990716153 662770992 /nfs/dbraw/zinc/77/09/92/662770992.db2.gz XGMCSSISOXFWBB-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCNC3=O)CC[C@@H]21 ZINC000898692792 662771090 /nfs/dbraw/zinc/77/10/90/662771090.db2.gz YGUXDOAYTYJTAC-NEPJUHHUSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCN1CCNC1=O ZINC000898696217 662771283 /nfs/dbraw/zinc/77/12/83/662771283.db2.gz RTLQXUPWYMUHLJ-UHFFFAOYSA-N 1 1 311.386 -1.320 20 0 DAADMO CN(CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)S(C)(=O)=O ZINC000899057526 662771717 /nfs/dbraw/zinc/77/17/17/662771717.db2.gz RCVAJVASLKOFGF-UHFFFAOYSA-N 1 1 321.399 -1.557 20 0 DAADMO CN(CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)S(C)(=O)=O ZINC000899057526 662771719 /nfs/dbraw/zinc/77/17/19/662771719.db2.gz RCVAJVASLKOFGF-UHFFFAOYSA-N 1 1 321.399 -1.557 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)n1 ZINC000990765783 662771910 /nfs/dbraw/zinc/77/19/10/662771910.db2.gz TVKQLSABQYQURN-HZMBPMFUSA-N 1 1 322.369 -1.518 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)n1 ZINC000990765785 662772411 /nfs/dbraw/zinc/77/24/11/662772411.db2.gz TVKQLSABQYQURN-QMTHXVAHSA-N 1 1 322.369 -1.518 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000899468721 662773315 /nfs/dbraw/zinc/77/33/15/662773315.db2.gz USQGTCYIVGOIJQ-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000899468721 662773317 /nfs/dbraw/zinc/77/33/17/662773317.db2.gz USQGTCYIVGOIJQ-SNVBAGLBSA-N 1 1 305.400 -1.143 20 0 DAADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCO ZINC000899737483 662774854 /nfs/dbraw/zinc/77/48/54/662774854.db2.gz IXUIATTWVNIFHM-OAHLLOKOSA-N 1 1 311.382 -1.052 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000899737155 662774969 /nfs/dbraw/zinc/77/49/69/662774969.db2.gz AGFHOYZJNXPNKY-UHFFFAOYSA-N 1 1 321.381 -1.328 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643155 662775382 /nfs/dbraw/zinc/77/53/82/662775382.db2.gz KYPQIQPYOVYEAR-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643155 662775383 /nfs/dbraw/zinc/77/53/83/662775383.db2.gz KYPQIQPYOVYEAR-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000899987495 662775741 /nfs/dbraw/zinc/77/57/41/662775741.db2.gz SKTLHYKFNPZUCS-CJNGLKHVSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000900100246 662776386 /nfs/dbraw/zinc/77/63/86/662776386.db2.gz BWLTZWNSRSKKOP-AAEUAGOBSA-N 1 1 319.427 -1.065 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC000990841019 662776940 /nfs/dbraw/zinc/77/69/40/662776940.db2.gz BTGIKYKWRKOTGP-FRRDWIJNSA-N 1 1 322.369 -1.503 20 0 DAADMO CC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC000990841019 662776943 /nfs/dbraw/zinc/77/69/43/662776943.db2.gz BTGIKYKWRKOTGP-FRRDWIJNSA-N 1 1 322.369 -1.503 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1CCCS1(=O)=O ZINC000900436574 662777443 /nfs/dbraw/zinc/77/74/43/662777443.db2.gz LMJJLUMOYXCZPN-ZYHUDNBSSA-N 1 1 305.400 -1.407 20 0 DAADMO CCS(=O)(=O)NCCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900452621 662777554 /nfs/dbraw/zinc/77/75/54/662777554.db2.gz PVTXTYXGLPNJPV-JQWIXIFHSA-N 1 1 307.416 -1.113 20 0 DAADMO CCS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900448656 662777767 /nfs/dbraw/zinc/77/77/67/662777767.db2.gz MIUZNNJCMJTFIP-AAEUAGOBSA-N 1 1 319.427 -1.065 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC000900603272 662777864 /nfs/dbraw/zinc/77/78/64/662777864.db2.gz NBRCPPPJVVUHES-SNVBAGLBSA-N 1 1 305.400 -1.597 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCCN(CC(N)=O)CC2)C1 ZINC000900566316 662778166 /nfs/dbraw/zinc/77/81/66/662778166.db2.gz RBDVWRLQEPLOME-OAHLLOKOSA-N 1 1 312.414 -1.147 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000900647505 662778684 /nfs/dbraw/zinc/77/86/84/662778684.db2.gz VYOADMVZWBRRDT-SKDRFNHKSA-N 1 1 307.416 -1.115 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000900706644 662779094 /nfs/dbraw/zinc/77/90/94/662779094.db2.gz IZOHULHFBGMAKA-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000900706644 662779101 /nfs/dbraw/zinc/77/91/01/662779101.db2.gz IZOHULHFBGMAKA-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO CN1CCN(C(=O)CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900685716 662779231 /nfs/dbraw/zinc/77/92/31/662779231.db2.gz VCVDFQKNWPBEMN-WFASDCNBSA-N 1 1 312.414 -1.278 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000900740379 662779372 /nfs/dbraw/zinc/77/93/72/662779372.db2.gz FMCFSSOALQLJRL-CKYFFXLPSA-N 1 1 305.400 -1.408 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000900706642 662779448 /nfs/dbraw/zinc/77/94/48/662779448.db2.gz IZOHULHFBGMAKA-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000900706642 662779449 /nfs/dbraw/zinc/77/94/49/662779449.db2.gz IZOHULHFBGMAKA-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000900742772 662779477 /nfs/dbraw/zinc/77/94/77/662779477.db2.gz VBMXGKDWZAKNDZ-WCQYABFASA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000900953212 662779661 /nfs/dbraw/zinc/77/96/61/662779661.db2.gz DPQDUNAWVVYFFU-QMTHXVAHSA-N 1 1 310.354 -1.404 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000900953207 662779844 /nfs/dbraw/zinc/77/98/44/662779844.db2.gz DPQDUNAWVVYFFU-HZMBPMFUSA-N 1 1 310.354 -1.404 20 0 DAADMO CNC(=O)CN1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900958514 662779891 /nfs/dbraw/zinc/77/98/91/662779891.db2.gz OXQNINRZGVRRLI-HNNXBMFYSA-N 1 1 312.414 -1.277 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCS(=O)(=O)C1 ZINC000900968148 662780050 /nfs/dbraw/zinc/78/00/50/662780050.db2.gz UUCLOTYYKWGEMH-VHSXEESVSA-N 1 1 319.383 -1.328 20 0 DAADMO C[NH+](C)CCN(C(=O)[C@@H](O)C(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000900965606 662780312 /nfs/dbraw/zinc/78/03/12/662780312.db2.gz CMRUFLBTIVXOHS-GHMZBOCLSA-N 1 1 322.427 -1.305 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000901176304 662780972 /nfs/dbraw/zinc/78/09/72/662780972.db2.gz TVKSOYWYNVCCKO-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000901105667 662781089 /nfs/dbraw/zinc/78/10/89/662781089.db2.gz JJCUWQUJRZDFCC-QJPTWQEYSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000901105621 662781143 /nfs/dbraw/zinc/78/11/43/662781143.db2.gz HZNDKZNEQHTNAL-NEPJUHHUSA-N 1 1 313.398 -1.117 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000901309391 662781406 /nfs/dbraw/zinc/78/14/06/662781406.db2.gz WAEIKIJFKKMCOC-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000901309391 662781410 /nfs/dbraw/zinc/78/14/10/662781410.db2.gz WAEIKIJFKKMCOC-NQBHXWOUSA-N 1 1 319.427 -1.018 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901334106 662781447 /nfs/dbraw/zinc/78/14/47/662781447.db2.gz NBYMJGFDTRXNAH-UHIISALHSA-N 1 1 300.355 -1.032 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000901309392 662781483 /nfs/dbraw/zinc/78/14/83/662781483.db2.gz WAEIKIJFKKMCOC-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000901309392 662781486 /nfs/dbraw/zinc/78/14/86/662781486.db2.gz WAEIKIJFKKMCOC-WZRBSPASSA-N 1 1 319.427 -1.018 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000938225195 662781786 /nfs/dbraw/zinc/78/17/86/662781786.db2.gz FUZPSQQQFOECCZ-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)CN2CCOCC2)C1 ZINC000990911935 662783135 /nfs/dbraw/zinc/78/31/35/662783135.db2.gz YBEATYFQBKGMLH-OCCSQVGLSA-N 1 1 324.425 -1.157 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990923436 662784104 /nfs/dbraw/zinc/78/41/04/662784104.db2.gz WTOPEEYZOYRZCJ-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2COCCN2C)C1 ZINC000990922057 662784734 /nfs/dbraw/zinc/78/47/34/662784734.db2.gz IAVSKPQVZDOZFK-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3COCCN3C)C2)C1 ZINC000990932064 662785188 /nfs/dbraw/zinc/78/51/88/662785188.db2.gz WDFRJUMOQVRDHO-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)on1 ZINC000990942604 662785935 /nfs/dbraw/zinc/78/59/35/662785935.db2.gz BOXJMAFCFNXCAG-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)on1 ZINC000990942604 662785937 /nfs/dbraw/zinc/78/59/37/662785937.db2.gz BOXJMAFCFNXCAG-NSHDSACASA-N 1 1 324.337 -1.046 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)CN3CN=NC3=O)C2)C1 ZINC000990940587 662785958 /nfs/dbraw/zinc/78/59/58/662785958.db2.gz ZSZXDMZUIAAIKH-JTQLQIEISA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN2CN=NC2=O)C1 ZINC000990943312 662786380 /nfs/dbraw/zinc/78/63/80/662786380.db2.gz XPPQIUGDBFYFJG-SNVBAGLBSA-N 1 1 322.369 -1.205 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000903600028 662789915 /nfs/dbraw/zinc/78/99/15/662789915.db2.gz GBZXHWZMOWUKCF-JTQLQIEISA-N 1 1 314.429 -1.329 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CCOCC1 ZINC000903602028 662789976 /nfs/dbraw/zinc/78/99/76/662789976.db2.gz LRVFYVHBAHHGAL-ZDUSSCGKSA-N 1 1 321.443 -1.041 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000903598810 662789986 /nfs/dbraw/zinc/78/99/86/662789986.db2.gz QRTMEUYSAPLOKM-RYUDHWBXSA-N 1 1 317.411 -1.000 20 0 DAADMO CCN1C[C@@H](S(=O)(=O)N2CC[NH2+]C[C@H]2COC)CC1=O ZINC000903597717 662790113 /nfs/dbraw/zinc/79/01/13/662790113.db2.gz DCLFLPNQFLQZQT-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134661 662791229 /nfs/dbraw/zinc/79/12/29/662791229.db2.gz GYISRLRQLDRGJT-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2CCS(C)(=O)=O)C1 ZINC001038134661 662791234 /nfs/dbraw/zinc/79/12/34/662791234.db2.gz GYISRLRQLDRGJT-NEPJUHHUSA-N 1 1 319.427 -1.448 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000991040815 662791517 /nfs/dbraw/zinc/79/15/17/662791517.db2.gz VGHDHYSDQHPKQB-CYBMUJFWSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1=O ZINC000991039379 662791557 /nfs/dbraw/zinc/79/15/57/662791557.db2.gz NUSPVYVKWRBNSE-LLVKDONJSA-N 1 1 324.337 -1.751 20 0 DAADMO Cn1oc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1=O ZINC000991039379 662791558 /nfs/dbraw/zinc/79/15/58/662791558.db2.gz NUSPVYVKWRBNSE-LLVKDONJSA-N 1 1 324.337 -1.751 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000991048087 662791737 /nfs/dbraw/zinc/79/17/37/662791737.db2.gz LXXQOZNQYQQEJT-HZMBPMFUSA-N 1 1 322.409 -1.011 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000991046011 662791866 /nfs/dbraw/zinc/79/18/66/662791866.db2.gz VGHDHYSDQHPKQB-ZDUSSCGKSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991047591 662791951 /nfs/dbraw/zinc/79/19/51/662791951.db2.gz XEHPIUSXPAVMKP-NSHDSACASA-N 1 1 308.382 -1.257 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000905011922 662793086 /nfs/dbraw/zinc/79/30/86/662793086.db2.gz AFRPXIZEAPDKNN-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000905014254 662793488 /nfs/dbraw/zinc/79/34/88/662793488.db2.gz JFKBXGBPUBSNDB-SNVBAGLBSA-N 1 1 321.399 -2.064 20 0 DAADMO CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904986062 662793633 /nfs/dbraw/zinc/79/36/33/662793633.db2.gz FMOKXWLEDVZMLE-CHWSQXEVSA-N 1 1 312.414 -1.149 20 0 DAADMO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000904989644 662793636 /nfs/dbraw/zinc/79/36/36/662793636.db2.gz MNJAKSQXIFSVQX-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904987613 662793681 /nfs/dbraw/zinc/79/36/81/662793681.db2.gz QGQMPYPZTDXBTH-IGQOVBAYSA-N 1 1 322.409 -1.383 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904988096 662793914 /nfs/dbraw/zinc/79/39/14/662793914.db2.gz SMMNBVKESZPRSH-IHRRRGAJSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCN1 ZINC000904988096 662793915 /nfs/dbraw/zinc/79/39/15/662793915.db2.gz SMMNBVKESZPRSH-IHRRRGAJSA-N 1 1 324.425 -1.136 20 0 DAADMO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904985405 662793926 /nfs/dbraw/zinc/79/39/26/662793926.db2.gz BCZPUDQAJGAWGA-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000905017759 662793929 /nfs/dbraw/zinc/79/39/29/662793929.db2.gz WFONZFYIRUPUCI-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000905014242 662793943 /nfs/dbraw/zinc/79/39/43/662793943.db2.gz JFKBXGBPUBSNDB-JTQLQIEISA-N 1 1 321.399 -2.064 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000905016557 662794003 /nfs/dbraw/zinc/79/40/03/662794003.db2.gz SMHKNZFFQNIGNJ-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000905016557 662794006 /nfs/dbraw/zinc/79/40/06/662794006.db2.gz SMHKNZFFQNIGNJ-CJNGLKHVSA-N 1 1 324.425 -1.013 20 0 DAADMO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000904989642 662794026 /nfs/dbraw/zinc/79/40/26/662794026.db2.gz MNJAKSQXIFSVQX-HZSPNIEDSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904991067 662794253 /nfs/dbraw/zinc/79/42/53/662794253.db2.gz SMMNBVKESZPRSH-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCN1 ZINC000904991067 662794256 /nfs/dbraw/zinc/79/42/56/662794256.db2.gz SMMNBVKESZPRSH-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCN1 ZINC000904991070 662794583 /nfs/dbraw/zinc/79/45/83/662794583.db2.gz SMMNBVKESZPRSH-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCN1 ZINC000904991070 662794585 /nfs/dbraw/zinc/79/45/85/662794585.db2.gz SMMNBVKESZPRSH-RDBSUJKOSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000905022390 662794716 /nfs/dbraw/zinc/79/47/16/662794716.db2.gz QSSRXIARNUYLDF-IHRRRGAJSA-N 1 1 324.425 -1.014 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000905022390 662794719 /nfs/dbraw/zinc/79/47/19/662794719.db2.gz QSSRXIARNUYLDF-IHRRRGAJSA-N 1 1 324.425 -1.014 20 0 DAADMO O=S(=O)(CC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345178 662795137 /nfs/dbraw/zinc/79/51/37/662795137.db2.gz NCASNUQZSCMGHC-UHFFFAOYSA-N 1 1 323.440 -1.355 20 0 DAADMO O=S(=O)(CCCN1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000905360484 662795307 /nfs/dbraw/zinc/79/53/07/662795307.db2.gz BOGMEOOZGJAMCU-GFCCVEGCSA-N 1 1 307.416 -1.384 20 0 DAADMO CCNS(=O)(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345341 662795421 /nfs/dbraw/zinc/79/54/21/662795421.db2.gz NVKYSLYJOURXFA-UHFFFAOYSA-N 1 1 312.417 -2.240 20 0 DAADMO CC(C)[C@H](CNC(=O)CCNC(=O)CO)[NH+]1CCOCC1 ZINC000905677884 662795713 /nfs/dbraw/zinc/79/57/13/662795713.db2.gz APKSKMYKNWLEBC-LBPRGKRZSA-N 1 1 301.387 -1.042 20 0 DAADMO CN1CC[N@H+](C)CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000906614627 662796205 /nfs/dbraw/zinc/79/62/05/662796205.db2.gz ACMQMAXNVCVKFG-LLVKDONJSA-N 1 1 309.374 -1.407 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1 ZINC000906614627 662796208 /nfs/dbraw/zinc/79/62/08/662796208.db2.gz ACMQMAXNVCVKFG-LLVKDONJSA-N 1 1 309.374 -1.407 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000906726685 662796303 /nfs/dbraw/zinc/79/63/03/662796303.db2.gz ATQDXPHOIFLWCB-GFCCVEGCSA-N 1 1 318.443 -1.370 20 0 DAADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNC(=O)CO)CC1 ZINC000906679363 662796368 /nfs/dbraw/zinc/79/63/68/662796368.db2.gz XYCSHUUZEWJWQY-CYBMUJFWSA-N 1 1 314.430 -1.125 20 0 DAADMO CC(C)NS(=O)(=O)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906449299 662796485 /nfs/dbraw/zinc/79/64/85/662796485.db2.gz SBXJWCQKJXEXCF-UHFFFAOYSA-N 1 1 320.459 -1.076 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCNC(=O)CO)C[C@@H]1C ZINC000907215287 662796595 /nfs/dbraw/zinc/79/65/95/662796595.db2.gz XMMVTJTUAVGHAY-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=O)CCNC(=O)CO)C[C@@H]1C ZINC000907215287 662796597 /nfs/dbraw/zinc/79/65/97/662796597.db2.gz XMMVTJTUAVGHAY-NSHDSACASA-N 1 1 315.370 -1.419 20 0 DAADMO COCCN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1=O ZINC000907192719 662796800 /nfs/dbraw/zinc/79/68/00/662796800.db2.gz KNFKBLABBUGOBX-UHFFFAOYSA-N 1 1 312.414 -1.203 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000991089641 662796854 /nfs/dbraw/zinc/79/68/54/662796854.db2.gz PWZIIKYWWFXVSY-WFASDCNBSA-N 1 1 311.382 -1.049 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000991089636 662796861 /nfs/dbraw/zinc/79/68/61/662796861.db2.gz PWZIIKYWWFXVSY-IUODEOHRSA-N 1 1 311.382 -1.049 20 0 DAADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000907453082 662797410 /nfs/dbraw/zinc/79/74/10/662797410.db2.gz UBRREDACPGUVQL-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000907575497 662797972 /nfs/dbraw/zinc/79/79/72/662797972.db2.gz SJKNMUXYIZFCEQ-LBPRGKRZSA-N 1 1 312.414 -1.278 20 0 DAADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CN2CCNC(=O)C2)C[C@H](C)O1 ZINC000907838390 662798372 /nfs/dbraw/zinc/79/83/72/662798372.db2.gz DEEYEWZZTUZION-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CCN(C)C(=O)CN2CCNC(=O)C2)C[C@H](C)O1 ZINC000907838390 662798374 /nfs/dbraw/zinc/79/83/74/662798374.db2.gz DEEYEWZZTUZION-BETUJISGSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1ccc(=O)n(CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1=O ZINC000907790952 662798553 /nfs/dbraw/zinc/79/85/53/662798553.db2.gz SMNAMUMMSAKPQZ-ABAIWWIYSA-N 1 1 324.381 -1.492 20 0 DAADMO CCOCCOC[C@H](O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907718573 662798658 /nfs/dbraw/zinc/79/86/58/662798658.db2.gz RRGUKIAMTUBMMQ-YRGRVCCFSA-N 1 1 304.387 -1.028 20 0 DAADMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CN1CCNC(=O)C1 ZINC000907840236 662798704 /nfs/dbraw/zinc/79/87/04/662798704.db2.gz SDNTUHMHPVPMLH-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CN1CCNC(=O)C1 ZINC000907840236 662798706 /nfs/dbraw/zinc/79/87/06/662798706.db2.gz SDNTUHMHPVPMLH-UHFFFAOYSA-N 1 1 312.414 -1.013 20 0 DAADMO CN1CC[NH+](C)CC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000908029556 662799154 /nfs/dbraw/zinc/79/91/54/662799154.db2.gz UCTOPVSESLDAJC-OAHLLOKOSA-N 1 1 309.458 -1.014 20 0 DAADMO CN1CC[NH+](C)CC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000908029556 662799158 /nfs/dbraw/zinc/79/91/58/662799158.db2.gz UCTOPVSESLDAJC-OAHLLOKOSA-N 1 1 309.458 -1.014 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030022920 662799401 /nfs/dbraw/zinc/79/94/01/662799401.db2.gz CHTYCNSRBAYWDC-GMTAPVOTSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001030022920 662799405 /nfs/dbraw/zinc/79/94/05/662799405.db2.gz CHTYCNSRBAYWDC-GMTAPVOTSA-N 1 1 322.365 -1.349 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)CN2CCOCC2)C1 ZINC000907974671 662799582 /nfs/dbraw/zinc/79/95/82/662799582.db2.gz FOCSHNHZWBTGET-DZGCQCFKSA-N 1 1 315.414 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991099896 662799908 /nfs/dbraw/zinc/79/99/08/662799908.db2.gz LJXRCJLDPGJMMA-QIBSRJKCSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991099896 662799911 /nfs/dbraw/zinc/79/99/11/662799911.db2.gz LJXRCJLDPGJMMA-QIBSRJKCSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991099894 662799999 /nfs/dbraw/zinc/79/99/99/662799999.db2.gz LJXRCJLDPGJMMA-ATEUNZGCSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC[C@@H]12 ZINC000991099894 662800001 /nfs/dbraw/zinc/80/00/01/662800001.db2.gz LJXRCJLDPGJMMA-ATEUNZGCSA-N 1 1 323.353 -1.817 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000991098411 662800058 /nfs/dbraw/zinc/80/00/58/662800058.db2.gz AJZIBDBKDHJCOF-BHDSKKPTSA-N 1 1 310.354 -1.310 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991108975 662800319 /nfs/dbraw/zinc/80/03/19/662800319.db2.gz CHYNUUQJVJDNEX-ZJUUUORDSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000991108975 662800320 /nfs/dbraw/zinc/80/03/20/662800320.db2.gz CHYNUUQJVJDNEX-ZJUUUORDSA-N 1 1 312.326 -2.248 20 0 DAADMO C[N@@H+](CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1)C1CCC1 ZINC000991119466 662801732 /nfs/dbraw/zinc/80/17/32/662801732.db2.gz MMLGOJYJZPOGKE-NSHDSACASA-N 1 1 310.354 -1.094 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000908201460 662802310 /nfs/dbraw/zinc/80/23/10/662802310.db2.gz MBQGBBZPPVBDCG-NWDGAFQWSA-N 1 1 317.411 -1.455 20 0 DAADMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1OCCN(C)C1=O ZINC000908240287 662802501 /nfs/dbraw/zinc/80/25/01/662802501.db2.gz SQVRMRIFUPGFRQ-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(CCCNC(=O)[C@@H]1OCCN(C)C1=O)CC[NH+](C)C ZINC000908240287 662802502 /nfs/dbraw/zinc/80/25/02/662802502.db2.gz SQVRMRIFUPGFRQ-LBPRGKRZSA-N 1 1 300.403 -1.157 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908303877 662802608 /nfs/dbraw/zinc/80/26/08/662802608.db2.gz RQOMHJQTIVLVNH-UHFFFAOYSA-N 1 1 306.432 -1.513 20 0 DAADMO CN(C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000908346713 662802659 /nfs/dbraw/zinc/80/26/59/662802659.db2.gz NSRNRICODKCTQY-LOWVWBTDSA-N 1 1 319.427 -1.066 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)C1 ZINC000991179845 663127053 /nfs/dbraw/zinc/12/70/53/663127053.db2.gz KOJHAIMMCZUODU-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cn(C)nn3)C2)C1 ZINC000991179845 663127054 /nfs/dbraw/zinc/12/70/54/663127054.db2.gz KOJHAIMMCZUODU-LBPRGKRZSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)C1 ZINC000991184536 663127410 /nfs/dbraw/zinc/12/74/10/663127410.db2.gz XYXTYDIULIKAQB-LLVKDONJSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3ncn(C)n3)C2)C1 ZINC000991184536 663127411 /nfs/dbraw/zinc/12/74/11/663127411.db2.gz XYXTYDIULIKAQB-LLVKDONJSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001038380093 663127525 /nfs/dbraw/zinc/12/75/25/663127525.db2.gz ZDRQFFCUZIARRD-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@@H]1CCCNC1=O ZINC001038380093 663127526 /nfs/dbraw/zinc/12/75/26/663127526.db2.gz ZDRQFFCUZIARRD-NWDGAFQWSA-N 1 1 323.397 -1.272 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2OCCN(C)C2=O)CC[N@@H+](C)C1 ZINC000910413481 663129151 /nfs/dbraw/zinc/12/91/51/663129151.db2.gz LPVNUPDLJDSFLV-GHMZBOCLSA-N 1 1 313.354 -1.593 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CC(S(N)(=O)=O)C2)CC1 ZINC000910520056 663129906 /nfs/dbraw/zinc/12/99/06/663129906.db2.gz GQTAHSZHJWWPOJ-UHFFFAOYSA-N 1 1 304.416 -1.487 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000910687536 663131270 /nfs/dbraw/zinc/13/12/70/663131270.db2.gz LJPMKSYHVLEAJJ-QJPTWQEYSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000910687536 663131271 /nfs/dbraw/zinc/13/12/71/663131271.db2.gz LJPMKSYHVLEAJJ-QJPTWQEYSA-N 1 1 301.387 -1.213 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000910652909 663131310 /nfs/dbraw/zinc/13/13/10/663131310.db2.gz SBIYUZVUOXCQDE-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000910652909 663131312 /nfs/dbraw/zinc/13/13/12/663131312.db2.gz SBIYUZVUOXCQDE-OLZOCXBDSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000910700502 663131643 /nfs/dbraw/zinc/13/16/43/663131643.db2.gz ROXKCAHHKMHJOB-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000910700502 663131644 /nfs/dbraw/zinc/13/16/44/663131644.db2.gz ROXKCAHHKMHJOB-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1(C)C ZINC000910773572 663133105 /nfs/dbraw/zinc/13/31/05/663133105.db2.gz BMOJSACAUQBTLK-AOOOYVTPSA-N 1 1 322.365 -1.730 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1(C)C ZINC000910773572 663133107 /nfs/dbraw/zinc/13/31/07/663133107.db2.gz BMOJSACAUQBTLK-AOOOYVTPSA-N 1 1 322.365 -1.730 20 0 DAADMO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1(C)C ZINC000910774910 663133610 /nfs/dbraw/zinc/13/36/10/663133610.db2.gz NPUQGOJHLSRRAK-VXGBXAGGSA-N 1 1 313.398 -1.259 20 0 DAADMO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1(C)C ZINC000910774910 663133612 /nfs/dbraw/zinc/13/36/12/663133612.db2.gz NPUQGOJHLSRRAK-VXGBXAGGSA-N 1 1 313.398 -1.259 20 0 DAADMO O=C(C(=O)N1CCNC(=O)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910927938 663134624 /nfs/dbraw/zinc/13/46/24/663134624.db2.gz XCINUUHREYJTSD-RYUDHWBXSA-N 1 1 324.381 -1.998 20 0 DAADMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929025 663134876 /nfs/dbraw/zinc/13/48/76/663134876.db2.gz SVQYQCCBQSEGAO-QWRGUYRKSA-N 1 1 319.427 -1.209 20 0 DAADMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC000910929025 663134882 /nfs/dbraw/zinc/13/48/82/663134882.db2.gz SVQYQCCBQSEGAO-QWRGUYRKSA-N 1 1 319.427 -1.209 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910922961 663134957 /nfs/dbraw/zinc/13/49/57/663134957.db2.gz IEGTTZLLWLGNAV-UONOGXRCSA-N 1 1 324.425 -1.182 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CNOC2)CCCO1 ZINC000910983579 663135362 /nfs/dbraw/zinc/13/53/62/663135362.db2.gz IBCXPPGAQIVDHS-RYUDHWBXSA-N 1 1 314.386 -1.377 20 0 DAADMO Cc1cn(C)nc1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000991293059 663135367 /nfs/dbraw/zinc/13/53/67/663135367.db2.gz ZBOPNAYJXGXEBS-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO Cc1cn(C)nc1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000991293059 663135368 /nfs/dbraw/zinc/13/53/68/663135368.db2.gz ZBOPNAYJXGXEBS-LBPRGKRZSA-N 1 1 321.381 -1.000 20 0 DAADMO CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911032389 663135711 /nfs/dbraw/zinc/13/57/11/663135711.db2.gz UFBIFSXAVFARIA-XJKCOSOUSA-N 1 1 323.441 -1.312 20 0 DAADMO [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000911071922 663136317 /nfs/dbraw/zinc/13/63/17/663136317.db2.gz DLXWJZYSAUKNCQ-ABAIWWIYSA-N 1 1 310.398 -1.349 20 0 DAADMO COC[C@H]1CNCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000911073871 663136735 /nfs/dbraw/zinc/13/67/35/663136735.db2.gz XBICDFZDWFFPKM-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO COCCN(C)CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911157947 663138178 /nfs/dbraw/zinc/13/81/78/663138178.db2.gz XERLGXDRJVAZQD-NEPJUHHUSA-N 1 1 300.403 -1.076 20 0 DAADMO COCCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911187268 663138569 /nfs/dbraw/zinc/13/85/69/663138569.db2.gz NYNWXUHSDXOIEE-FRRDWIJNSA-N 1 1 312.414 -1.063 20 0 DAADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911188757 663139047 /nfs/dbraw/zinc/13/90/47/663139047.db2.gz WNZYXMSMPDQCAG-WDEREUQCSA-N 1 1 300.359 -1.767 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911239889 663139478 /nfs/dbraw/zinc/13/94/78/663139478.db2.gz FKLBSGNDMGPNDT-NEPJUHHUSA-N 1 1 312.414 -1.063 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911239632 663139793 /nfs/dbraw/zinc/13/97/93/663139793.db2.gz CZLFWYPXACGWSY-WUHRBBMRSA-N 1 1 310.398 -1.168 20 0 DAADMO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000911273199 663140046 /nfs/dbraw/zinc/14/00/46/663140046.db2.gz JFIRABHANKDHEM-MGPQQGTHSA-N 1 1 324.425 -1.103 20 0 DAADMO COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911243735 663140184 /nfs/dbraw/zinc/14/01/84/663140184.db2.gz ZDXAMEFINCHECA-MJBXVCDLSA-N 1 1 324.425 -1.109 20 0 DAADMO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000911273197 663140355 /nfs/dbraw/zinc/14/03/55/663140355.db2.gz JFIRABHANKDHEM-MCIONIFRSA-N 1 1 324.425 -1.103 20 0 DAADMO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911275064 663140376 /nfs/dbraw/zinc/14/03/76/663140376.db2.gz UJQODLIBDZVQBK-UPJWGTAASA-N 1 1 310.398 -1.478 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911298123 663140842 /nfs/dbraw/zinc/14/08/42/663140842.db2.gz RNQCUGVHCYDTKP-AGIUHOORSA-N 1 1 312.414 -1.103 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000911257088 663140883 /nfs/dbraw/zinc/14/08/83/663140883.db2.gz DEKCIVKHJADWLR-LBPRGKRZSA-N 1 1 316.402 -1.872 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000911298124 663140894 /nfs/dbraw/zinc/14/08/94/663140894.db2.gz RNQCUGVHCYDTKP-FRRDWIJNSA-N 1 1 312.414 -1.103 20 0 DAADMO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911265224 663141141 /nfs/dbraw/zinc/14/11/41/663141141.db2.gz BHWNAINIRKLAHA-MGPQQGTHSA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911292129 663141155 /nfs/dbraw/zinc/14/11/55/663141155.db2.gz PAZTZDQYPJBBQO-JHJVBQTASA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911292130 663141195 /nfs/dbraw/zinc/14/11/95/663141195.db2.gz PAZTZDQYPJBBQO-UPJWGTAASA-N 1 1 312.414 -1.245 20 0 DAADMO C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911298126 663141228 /nfs/dbraw/zinc/14/12/28/663141228.db2.gz RNQCUGVHCYDTKP-UPJWGTAASA-N 1 1 312.414 -1.103 20 0 DAADMO COC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325760 663141531 /nfs/dbraw/zinc/14/15/31/663141531.db2.gz WWKIRCCPCLJPBV-XQQFMLRXSA-N 1 1 312.414 -1.110 20 0 DAADMO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911282228 663141685 /nfs/dbraw/zinc/14/16/85/663141685.db2.gz OWBLWTUETGZHLH-IHRRRGAJSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000911282227 663141787 /nfs/dbraw/zinc/14/17/87/663141787.db2.gz OWBLWTUETGZHLH-BFHYXJOUSA-N 1 1 324.425 -1.088 20 0 DAADMO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911282982 663142008 /nfs/dbraw/zinc/14/20/08/663142008.db2.gz FPROWPDVGUUCPL-KGLIPLIRSA-N 1 1 324.425 -1.088 20 0 DAADMO CC[C@H](CN1CCOCC1)NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000911305037 663142043 /nfs/dbraw/zinc/14/20/43/663142043.db2.gz DXGPSSNDGJXXJP-SNVBAGLBSA-N 1 1 322.356 -1.076 20 0 DAADMO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911348731 663142244 /nfs/dbraw/zinc/14/22/44/663142244.db2.gz REKAZMTVBQZBQU-CRWXNKLISA-N 1 1 324.425 -1.089 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000911339350 663142320 /nfs/dbraw/zinc/14/23/20/663142320.db2.gz VPCDOHWVSJPDMB-AVGNSLFASA-N 1 1 312.414 -1.232 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)C[NH+](C)C ZINC000911345956 663142959 /nfs/dbraw/zinc/14/29/59/663142959.db2.gz LZPSHRQARDRWCO-VXGBXAGGSA-N 1 1 316.402 -1.826 20 0 DAADMO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911339352 663142990 /nfs/dbraw/zinc/14/29/90/663142990.db2.gz VPCDOHWVSJPDMB-XQQFMLRXSA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)C[C@]2(C)C1 ZINC000911345305 663143132 /nfs/dbraw/zinc/14/31/32/663143132.db2.gz ICDKZOJMUAVPLC-JMSVASOKSA-N 1 1 310.398 -1.499 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)C[C@]2(C)C1 ZINC000911345305 663143136 /nfs/dbraw/zinc/14/31/36/663143136.db2.gz ICDKZOJMUAVPLC-JMSVASOKSA-N 1 1 310.398 -1.499 20 0 DAADMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000911366817 663143339 /nfs/dbraw/zinc/14/33/39/663143339.db2.gz JRAJYDQGGDVVOP-SYQHCUMBSA-N 1 1 324.425 -1.232 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)N1CCNC[C@@H]1C)C[NH+](C)C ZINC000911433641 663144752 /nfs/dbraw/zinc/14/47/52/663144752.db2.gz COWLTZGMDLSEQX-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO CCO[C@H](CNC(=O)C(=O)N1CCN[C@@H](C)C1)C[NH+](C)C ZINC000911433603 663144776 /nfs/dbraw/zinc/14/47/76/663144776.db2.gz BJTRXHQGDHQOLO-NWDGAFQWSA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)CC[N@@H+]1CC(C)(C)O ZINC000911470041 663146501 /nfs/dbraw/zinc/14/65/01/663146501.db2.gz RYWAAXZVRWAIGE-MNOVXSKESA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CNOC2)CC[N@H+]1CC(C)(C)O ZINC000911470041 663146504 /nfs/dbraw/zinc/14/65/04/663146504.db2.gz RYWAAXZVRWAIGE-MNOVXSKESA-N 1 1 314.386 -1.690 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000991330454 663146631 /nfs/dbraw/zinc/14/66/31/663146631.db2.gz FNIYIRLKNJQIEO-SNVBAGLBSA-N 1 1 322.365 -1.586 20 0 DAADMO O=C(N[C@@H]1CNOC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000911461876 663146895 /nfs/dbraw/zinc/14/68/95/663146895.db2.gz PAYUZDMITSYAHL-LLVKDONJSA-N 1 1 312.370 -1.671 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CNOC2)CC[N@@H+]1CC(C)(C)O ZINC000911462072 663146986 /nfs/dbraw/zinc/14/69/86/663146986.db2.gz RYWAAXZVRWAIGE-WDEREUQCSA-N 1 1 314.386 -1.690 20 0 DAADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CNOC2)CC[N@H+]1CC(C)(C)O ZINC000911462072 663146988 /nfs/dbraw/zinc/14/69/88/663146988.db2.gz RYWAAXZVRWAIGE-WDEREUQCSA-N 1 1 314.386 -1.690 20 0 DAADMO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911529666 663147361 /nfs/dbraw/zinc/14/73/61/663147361.db2.gz WGRBZDXKVVPNDM-TUAOUCFPSA-N 1 1 310.398 -1.622 20 0 DAADMO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000911543043 663148126 /nfs/dbraw/zinc/14/81/26/663148126.db2.gz SXEKRWKKSBLSAR-KIJLLGNVSA-N 1 1 308.382 -1.727 20 0 DAADMO COC(=O)[C@H]1C[C@H](O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000911606351 663149896 /nfs/dbraw/zinc/14/98/96/663149896.db2.gz JTQAOLICFLPYKC-AAEUAGOBSA-N 1 1 313.398 -1.138 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000911606352 663150074 /nfs/dbraw/zinc/15/00/74/663150074.db2.gz JTQAOLICFLPYKC-DGCLKSJQSA-N 1 1 313.398 -1.138 20 0 DAADMO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000911606355 663150183 /nfs/dbraw/zinc/15/01/83/663150183.db2.gz JTQAOLICFLPYKC-YPMHNXCESA-N 1 1 313.398 -1.138 20 0 DAADMO COCC[NH+](CCOC)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000911860101 663151085 /nfs/dbraw/zinc/15/10/85/663151085.db2.gz ZQHCEMIUBMVNIT-LBPRGKRZSA-N 1 1 314.386 -1.184 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884532 663151891 /nfs/dbraw/zinc/15/18/91/663151891.db2.gz RCKCFAFHQDAXDI-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000911884534 663152143 /nfs/dbraw/zinc/15/21/43/663152143.db2.gz RCKCFAFHQDAXDI-YPMHNXCESA-N 1 1 319.427 -1.017 20 0 DAADMO Cn1cnnc1N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000912054665 663152742 /nfs/dbraw/zinc/15/27/42/663152742.db2.gz QOCKLMYLAKHILD-BXUZGUMPSA-N 1 1 308.386 -1.081 20 0 DAADMO CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912394249 663153315 /nfs/dbraw/zinc/15/33/15/663153315.db2.gz DKNCJHUARFGYOW-LOWVWBTDSA-N 1 1 320.411 -1.239 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000912604187 663153571 /nfs/dbraw/zinc/15/35/71/663153571.db2.gz IGWWJVSZAMJQJM-OAHLLOKOSA-N 1 1 311.382 -1.018 20 0 DAADMO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608787 663153597 /nfs/dbraw/zinc/15/35/97/663153597.db2.gz YARILJBATDXYLV-PWSUYJOCSA-N 1 1 301.387 -1.356 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912609149 663153627 /nfs/dbraw/zinc/15/36/27/663153627.db2.gz ZUZBHLLMYCWQCG-UHFFFAOYSA-N 1 1 302.419 -1.175 20 0 DAADMO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912607514 663154072 /nfs/dbraw/zinc/15/40/72/663154072.db2.gz GWLNYENQBUVIGA-LLVKDONJSA-N 1 1 309.432 -1.057 20 0 DAADMO CCN1CCN(CC(=O)N(C)CC[N@@H+](C)CCO)C(=O)C1=O ZINC000912609401 663154075 /nfs/dbraw/zinc/15/40/75/663154075.db2.gz ASIONLDFPYUJAQ-UHFFFAOYSA-N 1 1 314.386 -1.940 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCO[C@H](Cn2ccnn2)C1 ZINC000912677173 663154383 /nfs/dbraw/zinc/15/43/83/663154383.db2.gz NDOZWHKBUCTSIU-DYEKYZERSA-N 1 1 309.370 -1.039 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000912677175 663154583 /nfs/dbraw/zinc/15/45/83/663154583.db2.gz NDOZWHKBUCTSIU-YRGRVCCFSA-N 1 1 309.370 -1.039 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743214 663154929 /nfs/dbraw/zinc/15/49/29/663154929.db2.gz RJQRRCYDFPZTMD-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743214 663154932 /nfs/dbraw/zinc/15/49/32/663154932.db2.gz RJQRRCYDFPZTMD-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2CO)C(=O)C1=O ZINC000912747492 663154979 /nfs/dbraw/zinc/15/49/79/663154979.db2.gz KPEGPRIBZXBCRH-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C(=O)C1=O ZINC000912747492 663154981 /nfs/dbraw/zinc/15/49/81/663154981.db2.gz KPEGPRIBZXBCRH-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](CO)C1 ZINC000912735009 663155045 /nfs/dbraw/zinc/15/50/45/663155045.db2.gz UDOOTKITHJFEOH-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@H](CO)C1 ZINC000912735009 663155046 /nfs/dbraw/zinc/15/50/46/663155046.db2.gz UDOOTKITHJFEOH-LBPRGKRZSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](CO)C1 ZINC000912744791 663155093 /nfs/dbraw/zinc/15/50/93/663155093.db2.gz ZVEZYXCCAWRPMM-NSHDSACASA-N 1 1 305.338 -1.369 20 0 DAADMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](CO)C1 ZINC000912744791 663155096 /nfs/dbraw/zinc/15/50/96/663155096.db2.gz ZVEZYXCCAWRPMM-NSHDSACASA-N 1 1 305.338 -1.369 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3CO)CC2=O)cn1 ZINC000912734684 663155176 /nfs/dbraw/zinc/15/51/76/663155176.db2.gz MJVHNJXHJUXXDV-YPMHNXCESA-N 1 1 321.381 -1.092 20 0 DAADMO Cn1cc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3CO)CC2=O)cn1 ZINC000912734684 663155178 /nfs/dbraw/zinc/15/51/78/663155178.db2.gz MJVHNJXHJUXXDV-YPMHNXCESA-N 1 1 321.381 -1.092 20 0 DAADMO C[N@@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](CO)C1 ZINC000912735008 663155189 /nfs/dbraw/zinc/15/51/89/663155189.db2.gz UDOOTKITHJFEOH-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@H+]1CCN(C(=O)CC2(n3cnnn3)CCOCC2)[C@@H](CO)C1 ZINC000912735008 663155190 /nfs/dbraw/zinc/15/51/90/663155190.db2.gz UDOOTKITHJFEOH-GFCCVEGCSA-N 1 1 324.385 -1.296 20 0 DAADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CO)C1 ZINC000912742830 663155229 /nfs/dbraw/zinc/15/52/29/663155229.db2.gz JFEOAEPOYINTMR-ZYHUDNBSSA-N 1 1 307.354 -1.103 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)[C@@H](CO)C1 ZINC000912742830 663155232 /nfs/dbraw/zinc/15/52/32/663155232.db2.gz JFEOAEPOYINTMR-ZYHUDNBSSA-N 1 1 307.354 -1.103 20 0 DAADMO CCN1CC[NH+](CCC(=O)N2CC(NS(N)(=O)=O)C2)CC1 ZINC000913056104 663155963 /nfs/dbraw/zinc/15/59/63/663155963.db2.gz KAOWRDAHCKVESX-UHFFFAOYSA-N 1 1 319.431 -1.982 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000913074343 663155967 /nfs/dbraw/zinc/15/59/67/663155967.db2.gz WEJQOMSMXXXZPT-ZDUSSCGKSA-N 1 1 319.361 -1.054 20 0 DAADMO NC(=O)C1(O)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000913074343 663155968 /nfs/dbraw/zinc/15/59/68/663155968.db2.gz WEJQOMSMXXXZPT-ZDUSSCGKSA-N 1 1 319.361 -1.054 20 0 DAADMO C[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000913055734 663156044 /nfs/dbraw/zinc/15/60/44/663156044.db2.gz AZYJRKQSEUPFPK-SECBINFHSA-N 1 1 305.404 -2.374 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913191426 663156386 /nfs/dbraw/zinc/15/63/86/663156386.db2.gz RLPNWDUMBVFRMD-JQWIXIFHSA-N 1 1 303.384 -1.625 20 0 DAADMO CCC(=O)N1CSC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913189226 663156415 /nfs/dbraw/zinc/15/64/15/663156415.db2.gz SHNGMDHHTHXKOI-GWCFXTLKSA-N 1 1 317.411 -1.235 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)nc2C1 ZINC000913196249 663156572 /nfs/dbraw/zinc/15/65/72/663156572.db2.gz LCRVENDINXCOHB-ABAIWWIYSA-N 1 1 324.381 -1.075 20 0 DAADMO O=C(CNC(=O)c1ccsc1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913184730 663156666 /nfs/dbraw/zinc/15/66/66/663156666.db2.gz GHDVEQOSORHMGD-ZDUSSCGKSA-N 1 1 313.379 -1.055 20 0 DAADMO O=C(CNC(=O)c1ccccc1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913196146 663156771 /nfs/dbraw/zinc/15/67/71/663156771.db2.gz JXCNQNJIWQUZIS-HNNXBMFYSA-N 1 1 307.350 -1.117 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC12COCCN1CCOC2 ZINC000913296765 663157012 /nfs/dbraw/zinc/15/70/12/663157012.db2.gz RUPCEBHXFJMFNQ-JSGCOSHPSA-N 1 1 313.398 -1.341 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000913427316 663157431 /nfs/dbraw/zinc/15/74/31/663157431.db2.gz FWMAXDPAKUJQLI-NSHDSACASA-N 1 1 319.427 -1.161 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547708 663158311 /nfs/dbraw/zinc/15/83/11/663158311.db2.gz UWBXHUCPUZSNGP-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547708 663158314 /nfs/dbraw/zinc/15/83/14/663158314.db2.gz UWBXHUCPUZSNGP-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547709 663158444 /nfs/dbraw/zinc/15/84/44/663158444.db2.gz UWBXHUCPUZSNGP-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547709 663158446 /nfs/dbraw/zinc/15/84/46/663158446.db2.gz UWBXHUCPUZSNGP-NSHDSACASA-N 1 1 323.415 -1.923 20 0 DAADMO Cn1cnn(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)c1=O ZINC000991473533 663158774 /nfs/dbraw/zinc/15/87/74/663158774.db2.gz ORUVFIUOPXJTOQ-BXUZGUMPSA-N 1 1 309.370 -1.313 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)c1=O ZINC000991469065 663158844 /nfs/dbraw/zinc/15/88/44/663158844.db2.gz DDDJWNVPNXAWSM-HZMBPMFUSA-N 1 1 322.369 -1.820 20 0 DAADMO Cn1cnn(CC(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)c1=O ZINC000991469065 663158845 /nfs/dbraw/zinc/15/88/45/663158845.db2.gz DDDJWNVPNXAWSM-HZMBPMFUSA-N 1 1 322.369 -1.820 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1O ZINC000991485535 663159106 /nfs/dbraw/zinc/15/91/06/663159106.db2.gz OSYJMQBDEOTHLB-MNOVXSKESA-N 1 1 323.353 -1.855 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000991483240 663159113 /nfs/dbraw/zinc/15/91/13/663159113.db2.gz LRHWBNLNWRWQEI-MNOVXSKESA-N 1 1 322.369 -1.408 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000991484541 663159152 /nfs/dbraw/zinc/15/91/52/663159152.db2.gz JWWDZCZYDMOFCX-GFCCVEGCSA-N 1 1 321.385 -1.127 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000991482604 663159157 /nfs/dbraw/zinc/15/91/57/663159157.db2.gz GKGDKHLHHQYJSL-NEPJUHHUSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000991481841 663159242 /nfs/dbraw/zinc/15/92/42/663159242.db2.gz ZFAYLUCXIPOEEA-GFCCVEGCSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC000947323016 663160771 /nfs/dbraw/zinc/16/07/71/663160771.db2.gz GLVUUSZIVHOUMQ-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC000947323014 663160787 /nfs/dbraw/zinc/16/07/87/663160787.db2.gz GLVUUSZIVHOUMQ-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCO ZINC000947324004 663161094 /nfs/dbraw/zinc/16/10/94/663161094.db2.gz ONLMYGMOKVQAKT-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO Cn1nnc(C(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000947860259 663161189 /nfs/dbraw/zinc/16/11/89/663161189.db2.gz QSTDPDAPRZBWRS-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030035798 663161630 /nfs/dbraw/zinc/16/16/30/663161630.db2.gz KYHNKTSPAKYMGY-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030035798 663161633 /nfs/dbraw/zinc/16/16/33/663161633.db2.gz KYHNKTSPAKYMGY-TUAOUCFPSA-N 1 1 323.397 -1.001 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC000947324680 663161648 /nfs/dbraw/zinc/16/16/48/663161648.db2.gz UQUGDUVJCGNNSS-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC000947324680 663161651 /nfs/dbraw/zinc/16/16/51/663161651.db2.gz UQUGDUVJCGNNSS-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@@H+]1CC(N)=O ZINC000947324687 663161657 /nfs/dbraw/zinc/16/16/57/663161657.db2.gz UQUGDUVJCGNNSS-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CC(N)=O ZINC000947324687 663161661 /nfs/dbraw/zinc/16/16/61/663161661.db2.gz UQUGDUVJCGNNSS-DTWKUNHWSA-N 1 1 323.357 -2.169 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000991553166 663161996 /nfs/dbraw/zinc/16/19/96/663161996.db2.gz KULORRKFXMSWDW-UWVGGRQHSA-N 1 1 323.353 -1.994 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC000991557073 663162666 /nfs/dbraw/zinc/16/26/66/663162666.db2.gz LWRLKBGJGYQHCI-WPRPVWTQSA-N 1 1 323.353 -2.137 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ncnn2)C1 ZINC000950076974 663165127 /nfs/dbraw/zinc/16/51/27/663165127.db2.gz KLAFWUOBZVNFIE-QWRGUYRKSA-N 1 1 307.358 -1.658 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001011862105 663165805 /nfs/dbraw/zinc/16/58/05/663165805.db2.gz VXWLJYPIFJHGRN-WPRPVWTQSA-N 1 1 323.353 -1.059 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C[C@H](O)CN2CCCC2=O)C1 ZINC001030161595 663167466 /nfs/dbraw/zinc/16/74/66/663167466.db2.gz OCCAQXHDCQSNFU-UONOGXRCSA-N 1 1 324.425 -1.136 20 0 DAADMO CCn1nncc1CN1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030184808 663169293 /nfs/dbraw/zinc/16/92/93/663169293.db2.gz YCOSTAZSBRUTJH-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1nncc1CN1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030184808 663169296 /nfs/dbraw/zinc/16/92/96/663169296.db2.gz YCOSTAZSBRUTJH-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001030181386 663169469 /nfs/dbraw/zinc/16/94/69/663169469.db2.gz DAAXUZDKAZPAAY-LLVKDONJSA-N 1 1 305.400 -1.838 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCS(C)(=O)=O)C2)C1 ZINC001030181386 663169471 /nfs/dbraw/zinc/16/94/71/663169471.db2.gz DAAXUZDKAZPAAY-LLVKDONJSA-N 1 1 305.400 -1.838 20 0 DAADMO CCn1cc(CN2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001030180752 663169521 /nfs/dbraw/zinc/16/95/21/663169521.db2.gz YELREPAYYPULMY-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1cc(CN2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001030180752 663169524 /nfs/dbraw/zinc/16/95/24/663169524.db2.gz YELREPAYYPULMY-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncc(CN2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001030184371 663169572 /nfs/dbraw/zinc/16/95/72/663169572.db2.gz WOVVKIRXSYRZRY-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncc(CN2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001030184371 663169574 /nfs/dbraw/zinc/16/95/74/663169574.db2.gz WOVVKIRXSYRZRY-CYBMUJFWSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncc(CN2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001030184374 663169789 /nfs/dbraw/zinc/16/97/89/663169789.db2.gz WOVVKIRXSYRZRY-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO CCn1ncc(CN2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001030184374 663169790 /nfs/dbraw/zinc/16/97/90/663169790.db2.gz WOVVKIRXSYRZRY-ZDUSSCGKSA-N 1 1 308.386 -1.071 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030182740 663169808 /nfs/dbraw/zinc/16/98/08/663169808.db2.gz NDYLKYKVEKNQCT-GXSJLCMTSA-N 1 1 309.374 -1.598 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030182740 663169810 /nfs/dbraw/zinc/16/98/10/663169810.db2.gz NDYLKYKVEKNQCT-GXSJLCMTSA-N 1 1 309.374 -1.598 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180180 663169853 /nfs/dbraw/zinc/16/98/53/663169853.db2.gz LVIOTPZLGJOUOK-ZWNOBZJWSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@H](C(=O)NC1CC1)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180180 663169855 /nfs/dbraw/zinc/16/98/55/663169855.db2.gz LVIOTPZLGJOUOK-ZWNOBZJWSA-N 1 1 310.398 -1.216 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CN(CCN3CCCC3=O)C2)C1 ZINC001030180874 663169869 /nfs/dbraw/zinc/16/98/69/663169869.db2.gz ZNLXVVDEADSTSC-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CN(CCN3CCCC3=O)C2)C1 ZINC001030180874 663169871 /nfs/dbraw/zinc/16/98/71/663169871.db2.gz ZNLXVVDEADSTSC-CYBMUJFWSA-N 1 1 310.398 -1.260 20 0 DAADMO CCN1CC[C@H](N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030181768 663169899 /nfs/dbraw/zinc/16/98/99/663169899.db2.gz GKJUVFUYJCBWLB-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CCN1CC[C@H](N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030181768 663169901 /nfs/dbraw/zinc/16/99/01/663169901.db2.gz GKJUVFUYJCBWLB-STQMWFEESA-N 1 1 310.398 -1.262 20 0 DAADMO CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC001030181765 663169973 /nfs/dbraw/zinc/16/99/73/663169973.db2.gz GKJUVFUYJCBWLB-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC001030181765 663169976 /nfs/dbraw/zinc/16/99/76/663169976.db2.gz GKJUVFUYJCBWLB-OLZOCXBDSA-N 1 1 310.398 -1.262 20 0 DAADMO COCC(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000991612510 663171332 /nfs/dbraw/zinc/17/13/32/663171332.db2.gz LWJAXMKGVMVWBO-NEPJUHHUSA-N 1 1 310.354 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1O ZINC000991614784 663171340 /nfs/dbraw/zinc/17/13/40/663171340.db2.gz RAQKNUWQWBIZTC-GHMZBOCLSA-N 1 1 323.353 -1.855 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C[C@@H]1O ZINC000991614788 663171460 /nfs/dbraw/zinc/17/14/60/663171460.db2.gz RAQKNUWQWBIZTC-QWRGUYRKSA-N 1 1 323.353 -1.855 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001030335486 663179528 /nfs/dbraw/zinc/17/95/28/663179528.db2.gz ZTAMPFXPIBDZMU-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)n1 ZINC001030339031 663179838 /nfs/dbraw/zinc/17/98/38/663179838.db2.gz BININPASWJVDHF-LLVKDONJSA-N 1 1 322.369 -1.254 20 0 DAADMO NC(=O)c1ncn(CC(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)n1 ZINC001030339871 663180342 /nfs/dbraw/zinc/18/03/42/663180342.db2.gz LGCSHQAIJMUKFO-SNVBAGLBSA-N 1 1 322.369 -1.396 20 0 DAADMO CC[C@@H](C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001030340204 663180374 /nfs/dbraw/zinc/18/03/74/663180374.db2.gz SLWFROXMWRMIKK-JTQLQIEISA-N 1 1 310.358 -1.398 20 0 DAADMO CC[C@H](C[NH+]1CC(NC(=O)Cn2cnc(C(N)=O)n2)C1)OC ZINC001030340205 663180428 /nfs/dbraw/zinc/18/04/28/663180428.db2.gz SLWFROXMWRMIKK-SNVBAGLBSA-N 1 1 310.358 -1.398 20 0 DAADMO Cn1nncc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347505 663180731 /nfs/dbraw/zinc/18/07/31/663180731.db2.gz LLQNAKMCCDZSRT-OCCSQVGLSA-N 1 1 320.397 -1.021 20 0 DAADMO O=C(NC1CN(CCn2cncn2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030346576 663180999 /nfs/dbraw/zinc/18/09/99/663180999.db2.gz CBQSAXZDPWLLBK-UONOGXRCSA-N 1 1 320.397 -1.058 20 0 DAADMO Cn1cc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001030347985 663181054 /nfs/dbraw/zinc/18/10/54/663181054.db2.gz QLPUBBMGVZACEH-UONOGXRCSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1ncc(CN2CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001030346793 663181066 /nfs/dbraw/zinc/18/10/66/663181066.db2.gz DWQZLSHUGBUHHN-UONOGXRCSA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1ncnc1CN1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347780 663181072 /nfs/dbraw/zinc/18/10/72/663181072.db2.gz PCWRLWQDGUFNQT-STQMWFEESA-N 1 1 320.397 -1.021 20 0 DAADMO Cn1nnc(CN2CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)n1 ZINC001030348549 663181166 /nfs/dbraw/zinc/18/11/66/663181166.db2.gz USLUOFUGDFPNAB-RYUDHWBXSA-N 1 1 321.385 -1.626 20 0 DAADMO CN(C)C(=O)CN1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347604 663181174 /nfs/dbraw/zinc/18/11/74/663181174.db2.gz NGRQONRJQOODCV-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000991709131 663183984 /nfs/dbraw/zinc/18/39/84/663183984.db2.gz JREKIGWSLPQOSF-SNVBAGLBSA-N 1 1 306.370 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CCn3ccnn3)C2)C1 ZINC000991707743 663184170 /nfs/dbraw/zinc/18/41/70/663184170.db2.gz CTUJRMRBULILAX-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO Cc1nnc(CC(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000991709129 663184281 /nfs/dbraw/zinc/18/42/81/663184281.db2.gz JREKIGWSLPQOSF-JTQLQIEISA-N 1 1 306.370 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000991711293 663184496 /nfs/dbraw/zinc/18/44/96/663184496.db2.gz DIUBJXYLNXTTIF-VIFPVBQESA-N 1 1 305.338 -1.338 20 0 DAADMO Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1N ZINC000991713901 663184667 /nfs/dbraw/zinc/18/46/67/663184667.db2.gz WSKWHXKWHQVJIP-SECBINFHSA-N 1 1 306.370 -1.105 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991713943 663185131 /nfs/dbraw/zinc/18/51/31/663185131.db2.gz XAUFGEOEFCVXSS-AAEUAGOBSA-N 1 1 310.398 -1.404 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000991717193 663185453 /nfs/dbraw/zinc/18/54/53/663185453.db2.gz GHZPGUXLHPRQKP-SCZZXKLOSA-N 1 1 323.353 -2.137 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC000991717194 663185483 /nfs/dbraw/zinc/18/54/83/663185483.db2.gz GHZPGUXLHPRQKP-WPRPVWTQSA-N 1 1 323.353 -2.137 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000991720494 663186170 /nfs/dbraw/zinc/18/61/70/663186170.db2.gz APEMWTNNLYPPSK-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)C3CS(=O)(=O)C3)C2)C1 ZINC000991720275 663186251 /nfs/dbraw/zinc/18/62/51/663186251.db2.gz ZFSODESYVGLAIU-SECBINFHSA-N 1 1 315.395 -1.690 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000991724313 663187096 /nfs/dbraw/zinc/18/70/96/663187096.db2.gz UINFDCJYBCRRIH-MNOVXSKESA-N 1 1 308.382 -1.257 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991724575 663187151 /nfs/dbraw/zinc/18/71/51/663187151.db2.gz VOOSDISFXLMUPW-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3C(=O)CCC3=O)C2)C1 ZINC000991725275 663188314 /nfs/dbraw/zinc/18/83/14/663188314.db2.gz YOXMPJKYMFIQOP-SNVBAGLBSA-N 1 1 322.365 -1.586 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000991728483 663189242 /nfs/dbraw/zinc/18/92/42/663189242.db2.gz MMDJGQJSBQOPEB-PWSUYJOCSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000991728478 663189424 /nfs/dbraw/zinc/18/94/24/663189424.db2.gz MMDJGQJSBQOPEB-CMPLNLGQSA-N 1 1 308.382 -1.257 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000991731500 663189850 /nfs/dbraw/zinc/18/98/50/663189850.db2.gz SZWSUVWZSHTOTE-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1nc(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ccc1=O ZINC000991733179 663190433 /nfs/dbraw/zinc/19/04/33/663190433.db2.gz XWAVOKOJAXYDHU-JTQLQIEISA-N 1 1 319.365 -1.327 20 0 DAADMO Cn1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC000991738846 663191442 /nfs/dbraw/zinc/19/14/42/663191442.db2.gz JSOOISSVSONJBB-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO Cn1ccc(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000991738846 663191443 /nfs/dbraw/zinc/19/14/43/663191443.db2.gz JSOOISSVSONJBB-GFCCVEGCSA-N 1 1 307.354 -1.309 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CCC1 ZINC000991742257 663191511 /nfs/dbraw/zinc/19/15/11/663191511.db2.gz MUIHODCCWVLZLH-QWRGUYRKSA-N 1 1 312.370 -1.966 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000991741972 663191556 /nfs/dbraw/zinc/19/15/56/663191556.db2.gz LWLZMKVBMGBLMR-ZJUUUORDSA-N 1 1 309.326 -2.245 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CCC1 ZINC000991742254 663191600 /nfs/dbraw/zinc/19/16/00/663191600.db2.gz MUIHODCCWVLZLH-MNOVXSKESA-N 1 1 312.370 -1.966 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC000991741969 663191641 /nfs/dbraw/zinc/19/16/41/663191641.db2.gz LWLZMKVBMGBLMR-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC000991740851 663192194 /nfs/dbraw/zinc/19/21/94/663192194.db2.gz XKOBOADBRDJYAN-GHMZBOCLSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000991750648 663193332 /nfs/dbraw/zinc/19/33/32/663193332.db2.gz RZHXHUMYNKYTHX-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000991750693 663193455 /nfs/dbraw/zinc/19/34/55/663193455.db2.gz SFWYJWJIMHWOHI-SNVBAGLBSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2COCCO2)C1 ZINC000991757930 663194229 /nfs/dbraw/zinc/19/42/29/663194229.db2.gz XUNCENSSYZLEHR-GFCCVEGCSA-N 1 1 308.338 -1.066 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000991760150 663194373 /nfs/dbraw/zinc/19/43/73/663194373.db2.gz JUPVEXCHFCEPDN-NSHDSACASA-N 1 1 319.365 -1.003 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CCn3ccnn3)CC2)n1 ZINC000991779296 663196333 /nfs/dbraw/zinc/19/63/33/663196333.db2.gz FWJLUFNVANEUHG-UHFFFAOYSA-N 1 1 319.373 -1.028 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)C1 ZINC000991800213 663197695 /nfs/dbraw/zinc/19/76/95/663197695.db2.gz VEUYZQQNWXIZDT-UHFFFAOYSA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)O1 ZINC001030515931 663199716 /nfs/dbraw/zinc/19/97/16/663199716.db2.gz OGMXUFRXABHRJK-DGCLKSJQSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CC(=O)N3CCC3)C2)O1 ZINC001030515931 663199717 /nfs/dbraw/zinc/19/97/17/663199717.db2.gz OGMXUFRXABHRJK-DGCLKSJQSA-N 1 1 310.398 -1.262 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)O1 ZINC001030516164 663199723 /nfs/dbraw/zinc/19/97/23/663199723.db2.gz WSXMCAWDAPFXKQ-ZWNOBZJWSA-N 1 1 310.398 -1.216 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)O1 ZINC001030516164 663199725 /nfs/dbraw/zinc/19/97/25/663199725.db2.gz WSXMCAWDAPFXKQ-ZWNOBZJWSA-N 1 1 310.398 -1.216 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000991870157 663202858 /nfs/dbraw/zinc/20/28/58/663202858.db2.gz WGQFFSZGJPVKCT-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(Cn1ncnn1)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000991869641 663203180 /nfs/dbraw/zinc/20/31/80/663203180.db2.gz RXUDYGPPNADISN-UHFFFAOYSA-N 1 1 323.357 -2.278 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991877095 663204172 /nfs/dbraw/zinc/20/41/72/663204172.db2.gz AMHLCEXBSLEYCP-KOLCDFICSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991877101 663204179 /nfs/dbraw/zinc/20/41/79/663204179.db2.gz AMHLCEXBSLEYCP-MWLCHTKSSA-N 1 1 307.358 -1.802 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991877088 663204256 /nfs/dbraw/zinc/20/42/56/663204256.db2.gz AMHLCEXBSLEYCP-GXSJLCMTSA-N 1 1 307.358 -1.802 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000991878293 663204448 /nfs/dbraw/zinc/20/44/48/663204448.db2.gz BONSPEMGTZKBJE-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991878687 663204744 /nfs/dbraw/zinc/20/47/44/663204744.db2.gz IBLNSAXNJHFGMX-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938291038 663206823 /nfs/dbraw/zinc/20/68/23/663206823.db2.gz LPIARXIIKRCRKX-NSHDSACASA-N 1 1 318.341 -1.405 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000938291726 663207901 /nfs/dbraw/zinc/20/79/01/663207901.db2.gz VHQNRHWFFWHPTQ-JTQLQIEISA-N 1 1 319.365 -1.036 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[N@H+]1CCO ZINC000948010347 663207944 /nfs/dbraw/zinc/20/79/44/663207944.db2.gz ARHCRSNWBQKJKL-WDEREUQCSA-N 1 1 312.370 -1.158 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061650212 663208211 /nfs/dbraw/zinc/20/82/11/663208211.db2.gz IFRFKTMZWILQTE-WDEREUQCSA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC000948015901 663208594 /nfs/dbraw/zinc/20/85/94/663208594.db2.gz JAAIVFRCTSTCJD-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC000948015901 663208598 /nfs/dbraw/zinc/20/85/98/663208598.db2.gz JAAIVFRCTSTCJD-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@@H+]1CC(N)=O ZINC000948015900 663208692 /nfs/dbraw/zinc/20/86/92/663208692.db2.gz JAAIVFRCTSTCJD-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[N@H+]1CC(N)=O ZINC000948015900 663208696 /nfs/dbraw/zinc/20/86/96/663208696.db2.gz JAAIVFRCTSTCJD-UWVGGRQHSA-N 1 1 310.354 -1.410 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1=O ZINC000913557078 663211340 /nfs/dbraw/zinc/21/13/40/663211340.db2.gz SGCGQTASTNQITR-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO CN1CC(=O)N(CCCC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1=O ZINC000913557078 663211344 /nfs/dbraw/zinc/21/13/44/663211344.db2.gz SGCGQTASTNQITR-LLVKDONJSA-N 1 1 312.370 -1.205 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)Cn3nccn3)C2)C1 ZINC000991942065 663213262 /nfs/dbraw/zinc/21/32/62/663213262.db2.gz DSSDLHLKEYOIIQ-LLVKDONJSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991948055 663213609 /nfs/dbraw/zinc/21/36/09/663213609.db2.gz FFKHQEMILLJVME-ZYHUDNBSSA-N 1 1 306.370 -1.197 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001038094998 663215221 /nfs/dbraw/zinc/21/52/21/663215221.db2.gz IRLMPHKCCGUTAN-MNOVXSKESA-N 1 1 308.386 -1.107 20 0 DAADMO O=C(NC1CN([C@@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030706017 663215842 /nfs/dbraw/zinc/21/58/42/663215842.db2.gz RSUHJBXHDYQOLX-WXURJZIFSA-N 1 1 320.393 -1.462 20 0 DAADMO O=C(NC1CN([C@@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030706015 663215885 /nfs/dbraw/zinc/21/58/85/663215885.db2.gz RSUHJBXHDYQOLX-UGQARLJISA-N 1 1 320.393 -1.462 20 0 DAADMO O=C(NC1CN([C@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030706016 663216078 /nfs/dbraw/zinc/21/60/78/663216078.db2.gz RSUHJBXHDYQOLX-VRKVRWBGSA-N 1 1 320.393 -1.462 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001015000687 663219024 /nfs/dbraw/zinc/21/90/24/663219024.db2.gz QOBCJRDFRQDLKS-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000992090707 663220341 /nfs/dbraw/zinc/22/03/41/663220341.db2.gz UBWVDPTXOOUYBN-MWLCHTKSSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(NC(=O)CN3CCNC(=O)C3)CCC[C@H]12 ZINC000992106257 663220464 /nfs/dbraw/zinc/22/04/64/663220464.db2.gz FESACNIRQHUYGE-HEHGZKQESA-N 1 1 324.425 -1.088 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CCOCC3)C2)CC[N@H+]1C ZINC000992087806 663220547 /nfs/dbraw/zinc/22/05/47/663220547.db2.gz RQIAQEUCDISWIC-TZMCWYRMSA-N 1 1 324.425 -1.014 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@H]12 ZINC000992139938 663222761 /nfs/dbraw/zinc/22/27/61/663222761.db2.gz BCMSRTUJFOLXOK-JRPNMDOOSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC000992145667 663223505 /nfs/dbraw/zinc/22/35/05/663223505.db2.gz QDFQATAVUZDWNY-ITMYJUKJSA-N 1 1 308.338 -1.610 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@H]1CCNC1=O ZINC001030792256 663223547 /nfs/dbraw/zinc/22/35/47/663223547.db2.gz JLLVZXOUZGNBMX-PWSUYJOCSA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@@H]12 ZINC000992146524 663223562 /nfs/dbraw/zinc/22/35/62/663223562.db2.gz KXRHIMAIWCZZPS-YGRLFVJLSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(=O)cn3)CCC[C@@H]12 ZINC000992146524 663223563 /nfs/dbraw/zinc/22/35/63/663223563.db2.gz KXRHIMAIWCZZPS-YGRLFVJLSA-N 1 1 305.338 -1.018 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC000992145671 663223648 /nfs/dbraw/zinc/22/36/48/663223648.db2.gz QDFQATAVUZDWNY-NUPCCRGMSA-N 1 1 308.338 -1.610 20 0 DAADMO O=C(NC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)[C@@H]1CCNC1=O ZINC001030792257 663223729 /nfs/dbraw/zinc/22/37/29/663223729.db2.gz JLLVZXOUZGNBMX-ZYHUDNBSSA-N 1 1 308.382 -1.161 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 ZINC000992151306 663224256 /nfs/dbraw/zinc/22/42/56/663224256.db2.gz HNQWNUOFYPUWFX-GPCCPHFNSA-N 1 1 309.370 -1.473 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)C1 ZINC000992162249 663224883 /nfs/dbraw/zinc/22/48/83/663224883.db2.gz OUQRAWUFYOYCDV-VQXHTEKXSA-N 1 1 312.370 -1.797 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CC(NC(=O)C(N)=O)C2)C1 ZINC000992162249 663224884 /nfs/dbraw/zinc/22/48/84/663224884.db2.gz OUQRAWUFYOYCDV-VQXHTEKXSA-N 1 1 312.370 -1.797 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000992177846 663225142 /nfs/dbraw/zinc/22/51/42/663225142.db2.gz YEWAQJGNRFGYJH-ZOWXZIJZSA-N 1 1 321.381 -1.158 20 0 DAADMO Cn1nnc(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001030804904 663225544 /nfs/dbraw/zinc/22/55/44/663225544.db2.gz GLLHRWLCGOVXQO-VIFPVBQESA-N 1 1 307.358 -1.460 20 0 DAADMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)o1 ZINC001015083692 663228243 /nfs/dbraw/zinc/22/82/43/663228243.db2.gz ISBQNVJOZSARPY-MRVPVSSYSA-N 1 1 303.340 -1.277 20 0 DAADMO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@@H]1CC(=O)NC(=O)N1 ZINC000992280211 663228555 /nfs/dbraw/zinc/22/85/55/663228555.db2.gz AMGIKNLDTNDJPZ-BHDSKKPTSA-N 1 1 310.354 -1.310 20 0 DAADMO O=C(N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1CC(=O)NC(=O)N1 ZINC000992280212 663228777 /nfs/dbraw/zinc/22/87/77/663228777.db2.gz AMGIKNLDTNDJPZ-IMSIIYSGSA-N 1 1 310.354 -1.310 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000948055653 663228799 /nfs/dbraw/zinc/22/87/99/663228799.db2.gz FETWLUNTAYYMMO-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992286250 663229839 /nfs/dbraw/zinc/22/98/39/663229839.db2.gz HENNFQCHPDEDJY-QIBSRJKCSA-N 1 1 323.353 -1.817 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC(=O)NC(=O)N3)CCC[C@@H]12 ZINC000992286250 663229845 /nfs/dbraw/zinc/22/98/45/663229845.db2.gz HENNFQCHPDEDJY-QIBSRJKCSA-N 1 1 323.353 -1.817 20 0 DAADMO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC000992308193 663231468 /nfs/dbraw/zinc/23/14/68/663231468.db2.gz ABIOWWHSASNIER-JLLWLGSASA-N 1 1 308.382 -1.210 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992313841 663232456 /nfs/dbraw/zinc/23/24/56/663232456.db2.gz AUPVETJYZIDZKZ-IINYFYTJSA-N 1 1 310.354 -1.356 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1=O ZINC000992392480 663234381 /nfs/dbraw/zinc/23/43/81/663234381.db2.gz BFVZSYAGNLNHPO-XHDPSFHLSA-N 1 1 324.381 -1.014 20 0 DAADMO C[NH+](C)C[C@@H]1NC(=O)N(CCCN2CCC[C@H]2C(N)=O)C1=O ZINC000925393188 663234630 /nfs/dbraw/zinc/23/46/30/663234630.db2.gz NLRRRKHIPOTPOT-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)C1=O ZINC000992392468 663234694 /nfs/dbraw/zinc/23/46/94/663234694.db2.gz BFVZSYAGNLNHPO-IAQYHMDHSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)C[C@H]2C1=O ZINC000913751280 663235539 /nfs/dbraw/zinc/23/55/39/663235539.db2.gz XDUIJMDPFFXQEL-JRPNMDOOSA-N 1 1 309.366 -1.094 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(N)=O)CC3)ccc1=O ZINC000992457242 663235727 /nfs/dbraw/zinc/23/57/27/663235727.db2.gz UDHHEVSMIYSBJT-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO Cn1nc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(N)=O)CC3)ccc1=O ZINC000992457242 663235729 /nfs/dbraw/zinc/23/57/29/663235729.db2.gz UDHHEVSMIYSBJT-ABAIWWIYSA-N 1 1 319.365 -1.008 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCNC(=O)CO ZINC000913683411 663236002 /nfs/dbraw/zinc/23/60/02/663236002.db2.gz BQHBIDGYHJQTOU-UHFFFAOYSA-N 1 1 300.359 -2.283 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992478084 663236342 /nfs/dbraw/zinc/23/63/42/663236342.db2.gz SFRNONXWFRCHIV-YGRLFVJLSA-N 1 1 310.354 -1.356 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992471352 663236408 /nfs/dbraw/zinc/23/64/08/663236408.db2.gz GYFAJUHPVLHOJW-LKFCYVNXSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CNC3=O)CCC[C@H]12 ZINC000992471352 663236410 /nfs/dbraw/zinc/23/64/10/663236410.db2.gz GYFAJUHPVLHOJW-LKFCYVNXSA-N 1 1 323.353 -1.863 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 ZINC000992466675 663236516 /nfs/dbraw/zinc/23/65/16/663236516.db2.gz SAOUMERULBHYBA-ZUZCIYMTSA-N 1 1 322.365 -1.266 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(NC(=O)CN3C(=O)CCC3=O)CCC[C@H]12 ZINC000992466675 663236519 /nfs/dbraw/zinc/23/65/19/663236519.db2.gz SAOUMERULBHYBA-ZUZCIYMTSA-N 1 1 322.365 -1.266 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)C1 ZINC000913775126 663236536 /nfs/dbraw/zinc/23/65/36/663236536.db2.gz ZZGJTXCOHQCUDS-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@H]1CCS(=O)(=O)N1 ZINC000992503129 663237388 /nfs/dbraw/zinc/23/73/88/663237388.db2.gz UCAIPYYDWVPCMA-MDZLAQPJSA-N 1 1 317.411 -1.216 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523857 663237517 /nfs/dbraw/zinc/23/75/17/663237517.db2.gz JPMVDFMEHGCJKT-NHYWBVRUSA-N 1 1 321.381 -1.064 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523857 663237519 /nfs/dbraw/zinc/23/75/19/663237519.db2.gz JPMVDFMEHGCJKT-NHYWBVRUSA-N 1 1 321.381 -1.064 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523861 663237728 /nfs/dbraw/zinc/23/77/28/663237728.db2.gz JPMVDFMEHGCJKT-XHDPSFHLSA-N 1 1 321.381 -1.064 20 0 DAADMO Cn1cc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(N)=O)CC3)n(C)c1=O ZINC000992523861 663237732 /nfs/dbraw/zinc/23/77/32/663237732.db2.gz JPMVDFMEHGCJKT-XHDPSFHLSA-N 1 1 321.381 -1.064 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000913915905 663237981 /nfs/dbraw/zinc/23/79/81/663237981.db2.gz SBLANKNWEMWLMS-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO CN1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000913915905 663237987 /nfs/dbraw/zinc/23/79/87/663237987.db2.gz SBLANKNWEMWLMS-JHJVBQTASA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(CC(=O)N3CCOCC3)C2)C1 ZINC001030959992 663238183 /nfs/dbraw/zinc/23/81/83/663238183.db2.gz NVYMGZGQEPPYCB-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030960960 663238575 /nfs/dbraw/zinc/23/85/75/663238575.db2.gz PZGIARWAJAUMFH-GXTWGEPZSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001030959520 663238878 /nfs/dbraw/zinc/23/88/78/663238878.db2.gz JUABAKSIENJXMO-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001030960964 663238901 /nfs/dbraw/zinc/23/89/01/663238901.db2.gz PZGIARWAJAUMFH-OCCSQVGLSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001030961476 663238918 /nfs/dbraw/zinc/23/89/18/663238918.db2.gz WFBKGLOZVTXJEF-KOLCDFICSA-N 1 1 308.386 -1.394 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000992583887 663240051 /nfs/dbraw/zinc/24/00/51/663240051.db2.gz UWZHFNIWIVRIEA-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000992583887 663240055 /nfs/dbraw/zinc/24/00/55/663240055.db2.gz UWZHFNIWIVRIEA-RYUDHWBXSA-N 1 1 324.381 -1.830 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCOC[C@H]2CO)CC1 ZINC000914063131 663240118 /nfs/dbraw/zinc/24/01/18/663240118.db2.gz SZFCJKZNDUDUCT-GFCCVEGCSA-N 1 1 314.386 -1.447 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000992583893 663240215 /nfs/dbraw/zinc/24/02/15/663240215.db2.gz UYBQAHNCFFLPFI-NSHDSACASA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC000992583893 663240222 /nfs/dbraw/zinc/24/02/22/663240222.db2.gz UYBQAHNCFFLPFI-NSHDSACASA-N 1 1 308.342 -1.534 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000992583885 663240558 /nfs/dbraw/zinc/24/05/58/663240558.db2.gz UWZHFNIWIVRIEA-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC000992583885 663240565 /nfs/dbraw/zinc/24/05/65/663240565.db2.gz UWZHFNIWIVRIEA-NWDGAFQWSA-N 1 1 324.381 -1.830 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC000992580105 663240699 /nfs/dbraw/zinc/24/06/99/663240699.db2.gz GZPLBYWOTQMEAG-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)C1 ZINC000992580105 663240701 /nfs/dbraw/zinc/24/07/01/663240701.db2.gz GZPLBYWOTQMEAG-CYBMUJFWSA-N 1 1 321.381 -1.069 20 0 DAADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914056226 663240721 /nfs/dbraw/zinc/24/07/21/663240721.db2.gz AAEXTVHBFQWLIP-QJPTWQEYSA-N 1 1 308.400 -1.224 20 0 DAADMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000914071512 663240895 /nfs/dbraw/zinc/24/08/95/663240895.db2.gz SLQSXIAALZKQAE-QJPTWQEYSA-N 1 1 308.400 -1.224 20 0 DAADMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000914071512 663240898 /nfs/dbraw/zinc/24/08/98/663240898.db2.gz SLQSXIAALZKQAE-QJPTWQEYSA-N 1 1 308.400 -1.224 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)C1 ZINC000992605995 663241118 /nfs/dbraw/zinc/24/11/18/663241118.db2.gz DBUTXLCUFBGNMV-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)c3cn(C)nn3)C2)C1 ZINC000992605995 663241120 /nfs/dbraw/zinc/24/11/20/663241120.db2.gz DBUTXLCUFBGNMV-GFCCVEGCSA-N 1 1 322.369 -1.524 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000992607633 663241395 /nfs/dbraw/zinc/24/13/95/663241395.db2.gz JCNYRYCLIPKYNP-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000992607633 663241397 /nfs/dbraw/zinc/24/13/97/663241397.db2.gz JCNYRYCLIPKYNP-RYUDHWBXSA-N 1 1 324.381 -1.687 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000992612477 663242083 /nfs/dbraw/zinc/24/20/83/663242083.db2.gz ZWIMANPKDAJLMV-LLVKDONJSA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000992612477 663242086 /nfs/dbraw/zinc/24/20/86/663242086.db2.gz ZWIMANPKDAJLMV-LLVKDONJSA-N 1 1 324.381 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000992611330 663242239 /nfs/dbraw/zinc/24/22/39/663242239.db2.gz UNQHIUDWIGVXQI-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000992611330 663242243 /nfs/dbraw/zinc/24/22/43/663242243.db2.gz UNQHIUDWIGVXQI-GFCCVEGCSA-N 1 1 322.369 -1.674 20 0 DAADMO O=C(NC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001031025806 663242708 /nfs/dbraw/zinc/24/27/08/663242708.db2.gz JQMAUVFNUXAQBT-MNOVXSKESA-N 1 1 310.354 -1.046 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992730533 663242972 /nfs/dbraw/zinc/24/29/72/663242972.db2.gz LSJHEXFUQAQAIE-FIXISWKDSA-N 1 1 324.381 -1.891 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(C(=O)C(N)=O)C[C@@]3(C)C2)C1 ZINC000992730533 663242978 /nfs/dbraw/zinc/24/29/78/663242978.db2.gz LSJHEXFUQAQAIE-FIXISWKDSA-N 1 1 324.381 -1.891 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)ncc1=O ZINC001015322588 663243872 /nfs/dbraw/zinc/24/38/72/663243872.db2.gz DCVSVRYASZAQOO-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)ncc1=O ZINC001015322588 663243874 /nfs/dbraw/zinc/24/38/74/663243874.db2.gz DCVSVRYASZAQOO-LLVKDONJSA-N 1 1 319.365 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000914315052 663244912 /nfs/dbraw/zinc/24/49/12/663244912.db2.gz JLXWQLKKMJWWCY-WDEREUQCSA-N 1 1 317.415 -1.376 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCn1cncn1 ZINC000993010559 663247254 /nfs/dbraw/zinc/24/72/54/663247254.db2.gz GORUDMZYQSIZJI-NEPJUHHUSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993015135 663248047 /nfs/dbraw/zinc/24/80/47/663248047.db2.gz OZSNTWOMVAOFKA-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993015135 663248055 /nfs/dbraw/zinc/24/80/55/663248055.db2.gz OZSNTWOMVAOFKA-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)NC1CC1 ZINC000993020725 663248205 /nfs/dbraw/zinc/24/82/05/663248205.db2.gz YTOQFHPGKAWIOT-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)NC1CC1 ZINC000993020725 663248211 /nfs/dbraw/zinc/24/82/11/663248211.db2.gz YTOQFHPGKAWIOT-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993015131 663248324 /nfs/dbraw/zinc/24/83/24/663248324.db2.gz OZSNTWOMVAOFKA-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CC(=O)N(C)C ZINC000993015131 663248329 /nfs/dbraw/zinc/24/83/29/663248329.db2.gz OZSNTWOMVAOFKA-MNOVXSKESA-N 1 1 309.374 -1.270 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502066 663249359 /nfs/dbraw/zinc/24/93/59/663249359.db2.gz DEAKHWSGMAVMOD-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1)N1CCCC1 ZINC001015502066 663249363 /nfs/dbraw/zinc/24/93/63/663249363.db2.gz DEAKHWSGMAVMOD-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001015511653 663250448 /nfs/dbraw/zinc/25/04/48/663250448.db2.gz WZQFFEKXMSFFJY-OLZOCXBDSA-N 1 1 310.398 -1.355 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545524 663252418 /nfs/dbraw/zinc/25/24/18/663252418.db2.gz KORNLRQJKLDIDJ-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1=O ZINC001015545524 663252422 /nfs/dbraw/zinc/25/24/22/663252422.db2.gz KORNLRQJKLDIDJ-VXGBXAGGSA-N 1 1 308.382 -1.113 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)n1 ZINC001015555487 663253167 /nfs/dbraw/zinc/25/31/67/663253167.db2.gz VRVMMNWSUMUJIU-SECBINFHSA-N 1 1 308.346 -1.961 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)n1 ZINC001015555487 663253173 /nfs/dbraw/zinc/25/31/73/663253173.db2.gz VRVMMNWSUMUJIU-SECBINFHSA-N 1 1 308.346 -1.961 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)C1=O ZINC001015569448 663253432 /nfs/dbraw/zinc/25/34/32/663253432.db2.gz RUDGTWXNHAGCTP-RYUDHWBXSA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C)C[NH+]1CCOCC1 ZINC000929864116 663254418 /nfs/dbraw/zinc/25/44/18/663254418.db2.gz UMFJSBNNXMXPHP-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)[C@@H]1C ZINC000993204962 663255923 /nfs/dbraw/zinc/25/59/23/663255923.db2.gz RPVCBQDAHMYBIQ-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)[C@@H]1C ZINC000993204962 663255926 /nfs/dbraw/zinc/25/59/26/663255926.db2.gz RPVCBQDAHMYBIQ-UWVGGRQHSA-N 1 1 310.358 -1.301 20 0 DAADMO COC(=O)C[C@@H](NC(=O)CC[NH+]1CCOCC1)C(=O)OC ZINC000732055890 663256527 /nfs/dbraw/zinc/25/65/27/663256527.db2.gz YBWYXOXYTFRTRO-SNVBAGLBSA-N 1 1 302.327 -1.070 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000732248478 663257348 /nfs/dbraw/zinc/25/73/48/663257348.db2.gz YKQFSSGUKXZVSZ-LLVKDONJSA-N 1 1 321.447 -1.529 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015635820 663257588 /nfs/dbraw/zinc/25/75/88/663257588.db2.gz XILCOGZSQNNSNT-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001015635821 663257742 /nfs/dbraw/zinc/25/77/42/663257742.db2.gz XILCOGZSQNNSNT-QWRGUYRKSA-N 1 1 309.370 -1.519 20 0 DAADMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC001015640464 663259067 /nfs/dbraw/zinc/25/90/67/663259067.db2.gz NZOCESILXDSVCX-UWVGGRQHSA-N 1 1 318.399 -2.056 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000929882036 663259201 /nfs/dbraw/zinc/25/92/01/663259201.db2.gz POQHVHWPTJAWMQ-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000915500294 663259253 /nfs/dbraw/zinc/25/92/53/663259253.db2.gz IZLMRDOWFKOHQS-NSHDSACASA-N 1 1 320.415 -1.348 20 0 DAADMO C[C@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCC[N@H+]1CCO ZINC000993329987 663260941 /nfs/dbraw/zinc/26/09/41/663260941.db2.gz CWFKXXGSKCLIBI-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@@H+]1CC(N)=O ZINC000993417928 663263521 /nfs/dbraw/zinc/26/35/21/663263521.db2.gz DNNBMHXTXGZSKK-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCC[N@H+]1CC(N)=O ZINC000993417928 663263523 /nfs/dbraw/zinc/26/35/23/663263523.db2.gz DNNBMHXTXGZSKK-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCC[N@H+]1CCO ZINC000993419061 663263791 /nfs/dbraw/zinc/26/37/91/663263791.db2.gz UHLGWKTYBGGDMV-NEPJUHHUSA-N 1 1 324.381 -1.492 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@H]3CCNC3=O)C2)C1 ZINC000993439676 663265149 /nfs/dbraw/zinc/26/51/49/663265149.db2.gz BQUFXHGLDLLBQG-MNOVXSKESA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C[C@@H]3CCNC3=O)C2)C1 ZINC000993439698 663265155 /nfs/dbraw/zinc/26/51/55/663265155.db2.gz BQUFXHGLDLLBQG-WDEREUQCSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993518552 663266535 /nfs/dbraw/zinc/26/65/35/663266535.db2.gz ZJKAHWIUYDXTEH-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993518552 663266540 /nfs/dbraw/zinc/26/65/40/663266540.db2.gz ZJKAHWIUYDXTEH-MNOVXSKESA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993518550 663266616 /nfs/dbraw/zinc/26/66/16/663266616.db2.gz ZJKAHWIUYDXTEH-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993518550 663266618 /nfs/dbraw/zinc/26/66/18/663266618.db2.gz ZJKAHWIUYDXTEH-GHMZBOCLSA-N 1 1 324.385 -1.703 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCC[N@H+]1CCO ZINC000993519568 663266633 /nfs/dbraw/zinc/26/66/33/663266633.db2.gz KDBDZNKLZWJPSY-STQMWFEESA-N 1 1 312.414 -1.278 20 0 DAADMO O=C(NC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993576700 663267011 /nfs/dbraw/zinc/26/70/11/663267011.db2.gz HPKGLXRCTUIVPX-PWSUYJOCSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000993567673 663267020 /nfs/dbraw/zinc/26/70/20/663267020.db2.gz LLPQYQHEEGEPCU-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000993567673 663267021 /nfs/dbraw/zinc/26/70/21/663267021.db2.gz LLPQYQHEEGEPCU-UWVGGRQHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCC[N@H+]1CCO ZINC000993563707 663267030 /nfs/dbraw/zinc/26/70/30/663267030.db2.gz DXEWWSBRLQXVGI-MNOVXSKESA-N 1 1 310.354 -1.090 20 0 DAADMO O=C(NC1CN(C(=O)c2nc[nH]n2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993581446 663267042 /nfs/dbraw/zinc/26/70/42/663267042.db2.gz ROXPHCCJCRUJFG-GHMZBOCLSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)c2cnon2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993574013 663267493 /nfs/dbraw/zinc/26/74/93/663267493.db2.gz CPSJODNDZQFCNZ-PWSUYJOCSA-N 1 1 321.337 -1.127 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000993575141 663267649 /nfs/dbraw/zinc/26/76/49/663267649.db2.gz FOCSRVLWTVBRTA-WDEREUQCSA-N 1 1 310.354 -1.948 20 0 DAADMO O=C(NC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000993576691 663267751 /nfs/dbraw/zinc/26/77/51/663267751.db2.gz HPKGLXRCTUIVPX-JQWIXIFHSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)c2cn[nH]n2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000993576705 663267758 /nfs/dbraw/zinc/26/77/58/663267758.db2.gz HPKGLXRCTUIVPX-ZYHUDNBSSA-N 1 1 320.353 -1.392 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000993732868 663268653 /nfs/dbraw/zinc/26/86/53/663268653.db2.gz PJCMZYCALFUHRI-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000993732868 663268660 /nfs/dbraw/zinc/26/86/60/663268660.db2.gz PJCMZYCALFUHRI-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015683031 663268713 /nfs/dbraw/zinc/26/87/13/663268713.db2.gz ZQOWILQIHSEMEM-ZETCQYMHSA-N 1 1 303.344 -2.147 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000993792049 663268922 /nfs/dbraw/zinc/26/89/22/663268922.db2.gz QMLINRGNRAGZHP-LLVKDONJSA-N 1 1 319.365 -1.003 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000993724523 663269025 /nfs/dbraw/zinc/26/90/25/663269025.db2.gz ALUWRPFYRNBUCM-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000993724523 663269029 /nfs/dbraw/zinc/26/90/29/663269029.db2.gz ALUWRPFYRNBUCM-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000993779871 663269766 /nfs/dbraw/zinc/26/97/66/663269766.db2.gz IVCXMNYOPLODTA-QWRGUYRKSA-N 1 1 308.382 -1.257 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1=O ZINC000993779868 663269800 /nfs/dbraw/zinc/26/98/00/663269800.db2.gz IVCXMNYOPLODTA-MNOVXSKESA-N 1 1 308.382 -1.257 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1=O ZINC000993782665 663269878 /nfs/dbraw/zinc/26/98/78/663269878.db2.gz CDWUFMGVBFAONJ-PWSUYJOCSA-N 1 1 324.381 -1.878 20 0 DAADMO CN1C[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1=O ZINC000993782665 663269881 /nfs/dbraw/zinc/26/98/81/663269881.db2.gz CDWUFMGVBFAONJ-PWSUYJOCSA-N 1 1 324.381 -1.878 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000993776989 663269895 /nfs/dbraw/zinc/26/98/95/663269895.db2.gz CAYLNLRAKCATML-NSHDSACASA-N 1 1 319.365 -1.003 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000993838914 663270939 /nfs/dbraw/zinc/27/09/39/663270939.db2.gz YGESLJIIYZEIIH-PHIMTYICSA-N 1 1 321.385 -1.127 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000993882870 663271366 /nfs/dbraw/zinc/27/13/66/663271366.db2.gz VQFJBMFJLCGZIG-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000993961949 663271890 /nfs/dbraw/zinc/27/18/90/663271890.db2.gz VIPNVFZXSJHZEI-JTQLQIEISA-N 1 1 305.338 -1.037 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000993867044 663272039 /nfs/dbraw/zinc/27/20/39/663272039.db2.gz SUSAUXRAFNLMRH-LBPRGKRZSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000993870793 663272069 /nfs/dbraw/zinc/27/20/69/663272069.db2.gz AXQJHEGXSUBTPS-GMTAPVOTSA-N 1 1 312.370 -1.987 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000993870793 663272072 /nfs/dbraw/zinc/27/20/72/663272072.db2.gz AXQJHEGXSUBTPS-GMTAPVOTSA-N 1 1 312.370 -1.987 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCCNC2=O)C1 ZINC000994000348 663273059 /nfs/dbraw/zinc/27/30/59/663273059.db2.gz VBQSNZGGEALMOM-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC000994012430 663274681 /nfs/dbraw/zinc/27/46/81/663274681.db2.gz RIIMVXRBZBIRMF-CMPLNLGQSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2CC(=O)NC2=O)CCC[N@H+]1CCCO ZINC000994018590 663274848 /nfs/dbraw/zinc/27/48/48/663274848.db2.gz FXAAGRWRTDRGKQ-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994107337 663276384 /nfs/dbraw/zinc/27/63/84/663276384.db2.gz PDJNCHVFLNNTFO-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994107337 663276389 /nfs/dbraw/zinc/27/63/89/663276389.db2.gz PDJNCHVFLNNTFO-VXGBXAGGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCCC(=O)N3)C2)C1 ZINC000994108561 663276482 /nfs/dbraw/zinc/27/64/82/663276482.db2.gz XSJNWHZVINKQFF-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CCC[N@H+]1CCO ZINC000994213746 663278624 /nfs/dbraw/zinc/27/86/24/663278624.db2.gz STNUVXUEHKBBBA-UWVGGRQHSA-N 1 1 320.353 -1.007 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CCOCC3=O)C2)C1 ZINC000994222228 663279466 /nfs/dbraw/zinc/27/94/66/663279466.db2.gz IJRYFRFVTYMGGR-NSHDSACASA-N 1 1 324.381 -1.876 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC000994299130 663282292 /nfs/dbraw/zinc/28/22/92/663282292.db2.gz TTYKPKDQEFVUBN-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)c(=O)n1C ZINC000994299130 663282297 /nfs/dbraw/zinc/28/22/97/663282297.db2.gz TTYKPKDQEFVUBN-KOLCDFICSA-N 1 1 324.385 -1.655 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCC[N@H+]1CCO ZINC000994366457 663283193 /nfs/dbraw/zinc/28/31/93/663283193.db2.gz RFTHBWQLUSYUNK-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CCCO ZINC000994369480 663283211 /nfs/dbraw/zinc/28/32/11/663283211.db2.gz YQQJQGZWSMZCMW-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CCCO ZINC000994369482 663283445 /nfs/dbraw/zinc/28/34/45/663283445.db2.gz YQQJQGZWSMZCMW-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCC[N@H+]1CCCO ZINC000994369481 663283643 /nfs/dbraw/zinc/28/36/43/663283643.db2.gz YQQJQGZWSMZCMW-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3cnc[nH]c3=O)C2)C1 ZINC000994430215 663284700 /nfs/dbraw/zinc/28/47/00/663284700.db2.gz VTUCAIPDFGYFQW-NSHDSACASA-N 1 1 321.337 -1.547 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000994410057 663284837 /nfs/dbraw/zinc/28/48/37/663284837.db2.gz HJQMTFHOQLLRNA-WCBMZHEXSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000994410057 663284839 /nfs/dbraw/zinc/28/48/39/663284839.db2.gz HJQMTFHOQLLRNA-WCBMZHEXSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@@H+]1CC(N)=O ZINC000994410059 663285024 /nfs/dbraw/zinc/28/50/24/663285024.db2.gz HJQMTFHOQLLRNA-WPRPVWTQSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCC[N@H+]1CC(N)=O ZINC000994410059 663285028 /nfs/dbraw/zinc/28/50/28/663285028.db2.gz HJQMTFHOQLLRNA-WPRPVWTQSA-N 1 1 323.353 -1.446 20 0 DAADMO COC[C@H](CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)OC ZINC000917067218 663285922 /nfs/dbraw/zinc/28/59/22/663285922.db2.gz ZROSDTUHSLFJQY-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO COC[C@H](CS(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)OC ZINC000917067218 663285924 /nfs/dbraw/zinc/28/59/24/663285924.db2.gz ZROSDTUHSLFJQY-CHWSQXEVSA-N 1 1 321.443 -1.043 20 0 DAADMO COCCOCCS(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917056482 663286016 /nfs/dbraw/zinc/28/60/16/663286016.db2.gz UWCFOSLHVCGWOE-ZDUSSCGKSA-N 1 1 321.443 -1.041 20 0 DAADMO COCCOCCS(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917056482 663286019 /nfs/dbraw/zinc/28/60/19/663286019.db2.gz UWCFOSLHVCGWOE-ZDUSSCGKSA-N 1 1 321.443 -1.041 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917062477 663286123 /nfs/dbraw/zinc/28/61/23/663286123.db2.gz WZISYJGFJLHBDA-FRRDWIJNSA-N 1 1 319.427 -1.291 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917062477 663286125 /nfs/dbraw/zinc/28/61/25/663286125.db2.gz WZISYJGFJLHBDA-FRRDWIJNSA-N 1 1 319.427 -1.291 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCCO ZINC000994454974 663286595 /nfs/dbraw/zinc/28/65/95/663286595.db2.gz AFQKNAQBLBKCMP-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCC[N@H+]1CCO ZINC000994491143 663287603 /nfs/dbraw/zinc/28/76/03/663287603.db2.gz XMUADLBVBMZGIA-VHSXEESVSA-N 1 1 310.358 -1.662 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001031388422 663289007 /nfs/dbraw/zinc/28/90/07/663289007.db2.gz YBHZFMHTWVSJHA-JSGCOSHPSA-N 1 1 307.398 -1.004 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2CN(C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031388424 663289299 /nfs/dbraw/zinc/28/92/99/663289299.db2.gz YBHZFMHTWVSJHA-TZMCWYRMSA-N 1 1 307.398 -1.004 20 0 DAADMO Cc1nn(CCS(=O)(=O)N(C)CC2C[NH+](C)C2)c(=O)o1 ZINC000917356259 663289349 /nfs/dbraw/zinc/28/93/49/663289349.db2.gz CDGGILABTSDXAG-UHFFFAOYSA-N 1 1 304.372 -1.032 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(CC(=O)N2CCOCC2)C1 ZINC001031391422 663289614 /nfs/dbraw/zinc/28/96/14/663289614.db2.gz FTCUAVQXKKKYHX-UHFFFAOYSA-N 1 1 321.381 -1.149 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC1CN(CCN2C(=O)CNC2=O)C1 ZINC001031390105 663289705 /nfs/dbraw/zinc/28/97/05/663289705.db2.gz HWUIECAIGYQNEH-UHFFFAOYSA-N 1 1 320.353 -1.456 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000925437899 663289717 /nfs/dbraw/zinc/28/97/17/663289717.db2.gz GVTSDGKVAOGSLG-ZJUUUORDSA-N 1 1 303.388 -1.766 20 0 DAADMO O=C(NC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001031402639 663290327 /nfs/dbraw/zinc/29/03/27/663290327.db2.gz LZQXEHPAOWIBNW-GXSJLCMTSA-N 1 1 303.384 -1.485 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001031414005 663291679 /nfs/dbraw/zinc/29/16/79/663291679.db2.gz CZFLGSPXAWWXRL-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCN(C)C3=O)C2)C1 ZINC001031414005 663291689 /nfs/dbraw/zinc/29/16/89/663291689.db2.gz CZFLGSPXAWWXRL-QWHCGFSZSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031417766 663292040 /nfs/dbraw/zinc/29/20/40/663292040.db2.gz ANSLLNUPFAOZBK-ZDUSSCGKSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031417766 663292042 /nfs/dbraw/zinc/29/20/42/663292042.db2.gz ANSLLNUPFAOZBK-ZDUSSCGKSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001031414003 663292194 /nfs/dbraw/zinc/29/21/94/663292194.db2.gz CZFLGSPXAWWXRL-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@@H]3CCN(C)C3=O)C2)C1 ZINC001031414003 663292203 /nfs/dbraw/zinc/29/22/03/663292203.db2.gz CZFLGSPXAWWXRL-CHWSQXEVSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)C1 ZINC001031418034 663292384 /nfs/dbraw/zinc/29/23/84/663292384.db2.gz GPMWLPZFCDLMFM-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CN([C@H]3CCCNC3=O)C2)C1 ZINC001031418034 663292388 /nfs/dbraw/zinc/29/23/88/663292388.db2.gz GPMWLPZFCDLMFM-QWHCGFSZSA-N 1 1 310.398 -1.214 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001031420965 663292687 /nfs/dbraw/zinc/29/26/87/663292687.db2.gz XXKULILODVRGBP-NSHDSACASA-N 1 1 309.374 -1.769 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001031420965 663292694 /nfs/dbraw/zinc/29/26/94/663292694.db2.gz XXKULILODVRGBP-NSHDSACASA-N 1 1 309.374 -1.769 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)nn1 ZINC001031438596 663293398 /nfs/dbraw/zinc/29/33/98/663293398.db2.gz LQPQHCVPYXWCEU-SNVBAGLBSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001031438864 663293501 /nfs/dbraw/zinc/29/35/01/663293501.db2.gz XXTWMJDQYMTOHS-VIFPVBQESA-N 1 1 308.342 -1.786 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001031438863 663293541 /nfs/dbraw/zinc/29/35/41/663293541.db2.gz XXTWMJDQYMTOHS-SECBINFHSA-N 1 1 308.342 -1.786 20 0 DAADMO NS(=O)(=O)C1CN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000918226564 663294799 /nfs/dbraw/zinc/29/47/99/663294799.db2.gz AYQZUUUVSALHCJ-UHFFFAOYSA-N 1 1 308.429 -1.283 20 0 DAADMO CN(C)C(=O)CNC(=S)NCCC(=O)N1CC[NH+](C)CC1 ZINC000918722922 663297682 /nfs/dbraw/zinc/29/76/82/663297682.db2.gz QDIUTJNANPHXIC-UHFFFAOYSA-N 1 1 315.443 -1.297 20 0 DAADMO Cc1cc(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)[nH]n1 ZINC001031567129 663299318 /nfs/dbraw/zinc/29/93/18/663299318.db2.gz KDWFZHIJLXWBDP-UHFFFAOYSA-N 1 1 320.353 -1.068 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1cnns1 ZINC001031564074 663299573 /nfs/dbraw/zinc/29/95/73/663299573.db2.gz FJIMTMQNYQYRIM-UHFFFAOYSA-N 1 1 324.366 -1.249 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1CCOC1 ZINC001031571950 663299920 /nfs/dbraw/zinc/29/99/20/663299920.db2.gz CMJSXDANNCNEQZ-NSHDSACASA-N 1 1 310.354 -1.377 20 0 DAADMO COCCN(C)S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000919298110 663300083 /nfs/dbraw/zinc/30/00/83/663300083.db2.gz OSRWNWCTSONEJT-UHFFFAOYSA-N 1 1 322.431 -1.485 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000919321676 663299969 /nfs/dbraw/zinc/29/99/69/663299969.db2.gz RKFIURUHPXONPR-GHMZBOCLSA-N 1 1 321.399 -2.218 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cn(C)cn1 ZINC000919298614 663300212 /nfs/dbraw/zinc/30/02/12/663300212.db2.gz ZTQYEDYAWRDTAS-UHFFFAOYSA-N 1 1 315.399 -1.185 20 0 DAADMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cnnn1C ZINC000919305964 663300231 /nfs/dbraw/zinc/30/02/31/663300231.db2.gz ZRCJNPFFTJWPHC-UHFFFAOYSA-N 1 1 316.387 -1.790 20 0 DAADMO Nc1nccnc1C(=O)NCC1C[NH+]([C@H]2CCCNC2=O)C1 ZINC001031589230 663300521 /nfs/dbraw/zinc/30/05/21/663300521.db2.gz MJLVPLFWNPVHLL-JTQLQIEISA-N 1 1 304.354 -1.001 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000924020954 663300550 /nfs/dbraw/zinc/30/05/50/663300550.db2.gz JMJVKPRNTNDKRH-MNOVXSKESA-N 1 1 317.415 -1.376 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001031584325 663300630 /nfs/dbraw/zinc/30/06/30/663300630.db2.gz BQYFGVIHPNDJJJ-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnnc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593883 663300718 /nfs/dbraw/zinc/30/07/18/663300718.db2.gz MEOOOWDUVCNTIY-NSHDSACASA-N 1 1 309.374 -1.911 20 0 DAADMO Cn1nnnc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593883 663300722 /nfs/dbraw/zinc/30/07/22/663300722.db2.gz MEOOOWDUVCNTIY-NSHDSACASA-N 1 1 309.374 -1.911 20 0 DAADMO Nc1nccnc1C(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001031589365 663300847 /nfs/dbraw/zinc/30/08/47/663300847.db2.gz SJWGFNGGMLSVFR-VIFPVBQESA-N 1 1 318.337 -1.474 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001031585036 663300863 /nfs/dbraw/zinc/30/08/63/663300863.db2.gz OOTCDXVUVSUQLO-ZJUUUORDSA-N 1 1 308.338 -1.882 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)N2)C1)C1CC1 ZINC001031582692 663300922 /nfs/dbraw/zinc/30/09/22/663300922.db2.gz SHTQGVRIHMGGOO-GFCCVEGCSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nnnc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593882 663300931 /nfs/dbraw/zinc/30/09/31/663300931.db2.gz MEOOOWDUVCNTIY-LLVKDONJSA-N 1 1 309.374 -1.911 20 0 DAADMO Cn1nnnc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593882 663300936 /nfs/dbraw/zinc/30/09/36/663300936.db2.gz MEOOOWDUVCNTIY-LLVKDONJSA-N 1 1 309.374 -1.911 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001031593626 663301094 /nfs/dbraw/zinc/30/10/94/663301094.db2.gz GATKHCIWEMZAAD-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)N3CCCC3)C2)C1 ZINC001031593626 663301096 /nfs/dbraw/zinc/30/10/96/663301096.db2.gz GATKHCIWEMZAAD-AWEZNQCLSA-N 1 1 324.425 -1.013 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000924020956 663301225 /nfs/dbraw/zinc/30/12/25/663301225.db2.gz JMJVKPRNTNDKRH-QWRGUYRKSA-N 1 1 317.415 -1.376 20 0 DAADMO CN(C)c1ncc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)n1C ZINC000930086159 663301368 /nfs/dbraw/zinc/30/13/68/663301368.db2.gz NYIYTCNEISJPJH-SNVBAGLBSA-N 1 1 308.386 -1.077 20 0 DAADMO CN(C)c1ncc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)n1C ZINC000930086159 663301371 /nfs/dbraw/zinc/30/13/71/663301371.db2.gz NYIYTCNEISJPJH-SNVBAGLBSA-N 1 1 308.386 -1.077 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031594920 663301461 /nfs/dbraw/zinc/30/14/61/663301461.db2.gz NHDRWNZMSYFRKH-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031594920 663301465 /nfs/dbraw/zinc/30/14/65/663301465.db2.gz NHDRWNZMSYFRKH-ZDUSSCGKSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031595263 663301909 /nfs/dbraw/zinc/30/19/09/663301909.db2.gz SKOHDWXLVKGSMR-QWHCGFSZSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031594919 663301940 /nfs/dbraw/zinc/30/19/40/663301940.db2.gz NHDRWNZMSYFRKH-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(CC(=O)NC3CC3)C2)C1 ZINC001031594919 663301943 /nfs/dbraw/zinc/30/19/43/663301943.db2.gz NHDRWNZMSYFRKH-CYBMUJFWSA-N 1 1 310.398 -1.356 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789110 663302765 /nfs/dbraw/zinc/30/27/65/663302765.db2.gz NFHJZDFLOVVXCB-MNOVXSKESA-N 1 1 324.381 -1.077 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031625293 663303062 /nfs/dbraw/zinc/30/30/62/663303062.db2.gz WFZJIDPWFWCCJM-QWHCGFSZSA-N 1 1 310.398 -1.404 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2C)C1)C1CC1 ZINC001031621788 663303209 /nfs/dbraw/zinc/30/32/09/663303209.db2.gz OCAUMRPFXSBKJA-AWEZNQCLSA-N 1 1 324.425 -1.014 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3COCCN3C)C2)C1=O ZINC001031622356 663303314 /nfs/dbraw/zinc/30/33/14/663303314.db2.gz ZQRCKHHHHVUIPT-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031625367 663303340 /nfs/dbraw/zinc/30/33/40/663303340.db2.gz XJHHOEAVLWEOCS-DGCLKSJQSA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031625368 663303513 /nfs/dbraw/zinc/30/35/13/663303513.db2.gz XJHHOEAVLWEOCS-WCQYABFASA-N 1 1 312.414 -1.158 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000919982819 663303739 /nfs/dbraw/zinc/30/37/39/663303739.db2.gz WLWOPXFWIXCHHA-FVCCEPFGSA-N 1 1 321.443 -1.046 20 0 DAADMO CO[C@H]1COC[C@H]1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000919982819 663303743 /nfs/dbraw/zinc/30/37/43/663303743.db2.gz WLWOPXFWIXCHHA-FVCCEPFGSA-N 1 1 321.443 -1.046 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)c3cc(=O)n(C)o3)C2)C1=O ZINC001031634397 663304087 /nfs/dbraw/zinc/30/40/87/663304087.db2.gz XQPRTSPNKABPIK-SNVBAGLBSA-N 1 1 308.338 -1.129 20 0 DAADMO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000920018964 663304224 /nfs/dbraw/zinc/30/42/24/663304224.db2.gz ILLLFMXDMBPBMQ-NEPJUHHUSA-N 1 1 306.432 -1.213 20 0 DAADMO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920018964 663304229 /nfs/dbraw/zinc/30/42/29/663304229.db2.gz ILLLFMXDMBPBMQ-NEPJUHHUSA-N 1 1 306.432 -1.213 20 0 DAADMO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000920018993 663304250 /nfs/dbraw/zinc/30/42/50/663304250.db2.gz ILLLFMXDMBPBMQ-VXGBXAGGSA-N 1 1 306.432 -1.213 20 0 DAADMO C[C@@H](NS(=O)(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000920018993 663304254 /nfs/dbraw/zinc/30/42/54/663304254.db2.gz ILLLFMXDMBPBMQ-VXGBXAGGSA-N 1 1 306.432 -1.213 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001031629403 663304292 /nfs/dbraw/zinc/30/42/92/663304292.db2.gz UBDJRQWFDQUHCY-SNVBAGLBSA-N 1 1 320.353 -1.531 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC001031636616 663304302 /nfs/dbraw/zinc/30/43/02/663304302.db2.gz ILGCYBHPBLUUQQ-ZDUSSCGKSA-N 1 1 308.382 -1.209 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)nn1 ZINC001031645260 663304564 /nfs/dbraw/zinc/30/45/64/663304564.db2.gz BWXWAZXLTWUFSL-UHFFFAOYSA-N 1 1 320.353 -1.374 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1=O ZINC001031643245 663304649 /nfs/dbraw/zinc/30/46/49/663304649.db2.gz NPWFBOOCJBYWKS-WDEREUQCSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1oc(C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)cc1=O ZINC001031637054 663304743 /nfs/dbraw/zinc/30/47/43/663304743.db2.gz SDNAYJZKZQYJKP-JTQLQIEISA-N 1 1 308.338 -1.082 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1=O ZINC001031643243 663305077 /nfs/dbraw/zinc/30/50/77/663305077.db2.gz NPWFBOOCJBYWKS-MNOVXSKESA-N 1 1 310.354 -1.236 20 0 DAADMO O=C(C[NH+]1CC(CNC(=O)[C@@H]2COC(=O)N2)C1)N1CCCC1 ZINC001031643066 663305089 /nfs/dbraw/zinc/30/50/89/663305089.db2.gz JAHNQJZJWNFNTJ-NSHDSACASA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@H]1CCN(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC000920534654 663305721 /nfs/dbraw/zinc/30/57/21/663305721.db2.gz GGTVTBGLTKVDNS-NSHDSACASA-N 1 1 304.416 -1.063 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2cn(CCOC)nn2)C1 ZINC001031660012 663305808 /nfs/dbraw/zinc/30/58/08/663305808.db2.gz AEQBEGLGDTZHOD-GFCCVEGCSA-N 1 1 324.385 -1.150 20 0 DAADMO Cc1ncc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)n1C ZINC000920527709 663306092 /nfs/dbraw/zinc/30/60/92/663306092.db2.gz RBNCEVYRTZETSF-UHFFFAOYSA-N 1 1 315.399 -1.219 20 0 DAADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000920535818 663306284 /nfs/dbraw/zinc/30/62/84/663306284.db2.gz SZBRDVRZKGSAMN-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO C[C@@H]1OCC[C@H]1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000920534048 663306576 /nfs/dbraw/zinc/30/65/76/663306576.db2.gz BJIBTSQLOIDWJJ-WDEREUQCSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001038585205 663307336 /nfs/dbraw/zinc/30/73/36/663307336.db2.gz ABOWSPZCGZCWIO-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@H]1CCNC1=O ZINC001038585205 663307340 /nfs/dbraw/zinc/30/73/40/663307340.db2.gz ABOWSPZCGZCWIO-QWRGUYRKSA-N 1 1 322.365 -1.538 20 0 DAADMO CC(=O)N1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000994705643 663307612 /nfs/dbraw/zinc/30/76/12/663307612.db2.gz XYQNWEPNCNQIMB-CYBMUJFWSA-N 1 1 322.369 -1.372 20 0 DAADMO CC(=O)N1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000994705643 663307616 /nfs/dbraw/zinc/30/76/16/663307616.db2.gz XYQNWEPNCNQIMB-CYBMUJFWSA-N 1 1 322.369 -1.372 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689383 663307912 /nfs/dbraw/zinc/30/79/12/663307912.db2.gz VERHWSVJTAQXBR-OLZOCXBDSA-N 1 1 310.398 -1.356 20 0 DAADMO CNC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689384 663307984 /nfs/dbraw/zinc/30/79/84/663307984.db2.gz VERHWSVJTAQXBR-QWHCGFSZSA-N 1 1 310.398 -1.356 20 0 DAADMO CN1CCOC[C@@]1(CO)CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000921339043 663308507 /nfs/dbraw/zinc/30/85/07/663308507.db2.gz WAIQCRGENMEMJF-ZDUSSCGKSA-N 1 1 321.443 -1.307 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC000994712123 663308665 /nfs/dbraw/zinc/30/86/65/663308665.db2.gz JBDDXFWXJDTOSG-VHSXEESVSA-N 1 1 320.361 -1.729 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921413267 663309472 /nfs/dbraw/zinc/30/94/72/663309472.db2.gz HZCRTVMCMUVMSN-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C ZINC000921413267 663309474 /nfs/dbraw/zinc/30/94/74/663309474.db2.gz HZCRTVMCMUVMSN-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000994722433 663309742 /nfs/dbraw/zinc/30/97/42/663309742.db2.gz AJPWNIGNHOZZBN-UWVGGRQHSA-N 1 1 323.353 -1.994 20 0 DAADMO CN1C[C@@H](C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1=O ZINC001031711757 663311496 /nfs/dbraw/zinc/31/14/96/663311496.db2.gz KEHLNXRAWUFUGU-QWRGUYRKSA-N 1 1 322.365 -1.682 20 0 DAADMO C[C@@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031712559 663311576 /nfs/dbraw/zinc/31/15/76/663311576.db2.gz CJJWLKFRASAMFE-CMPLNLGQSA-N 1 1 310.398 -1.011 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938316387 663313198 /nfs/dbraw/zinc/31/31/98/663313198.db2.gz GGXZAQUFQSNBBF-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000938459447 663320186 /nfs/dbraw/zinc/32/01/86/663320186.db2.gz ICJMGZJIGVMVPV-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000938460338 663320377 /nfs/dbraw/zinc/32/03/77/663320377.db2.gz DXEDOWIGXWJULE-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)O1 ZINC000994840957 663321664 /nfs/dbraw/zinc/32/16/64/663321664.db2.gz TUJOQURQHXTQRC-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)c3cnn(C)n3)C2)O1 ZINC000994840957 663321668 /nfs/dbraw/zinc/32/16/68/663321668.db2.gz TUJOQURQHXTQRC-BXKDBHETSA-N 1 1 322.369 -1.525 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938538281 663323072 /nfs/dbraw/zinc/32/30/72/663323072.db2.gz YNGBQZFXCAAUCW-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000938539601 663323267 /nfs/dbraw/zinc/32/32/67/663323267.db2.gz KTTBLJOHIGIKAN-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938540531 663323477 /nfs/dbraw/zinc/32/34/77/663323477.db2.gz YECBUMMNBHNAIV-NEPJUHHUSA-N 1 1 321.385 -1.316 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)CC2 ZINC000938554789 663324007 /nfs/dbraw/zinc/32/40/07/663324007.db2.gz XEHUJXUHWDOLEI-MNOVXSKESA-N 1 1 319.365 -1.044 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000938562596 663324252 /nfs/dbraw/zinc/32/42/52/663324252.db2.gz SFIXTBDYEHGOOL-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000938586542 663327755 /nfs/dbraw/zinc/32/77/55/663327755.db2.gz ZIMKDWUPVLDXRR-VHSXEESVSA-N 1 1 305.338 -1.037 20 0 DAADMO Cn1cnc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cc1=O ZINC001031740440 663330452 /nfs/dbraw/zinc/33/04/52/663330452.db2.gz BKIUOVWMELDMHN-NSHDSACASA-N 1 1 305.338 -1.670 20 0 DAADMO CN(C)C(=O)C[NH+]1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031741109 663330602 /nfs/dbraw/zinc/33/06/02/663330602.db2.gz NYVUZSJXKKDQBB-UHFFFAOYSA-N 1 1 307.354 -1.470 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)O1 ZINC000994848928 663330676 /nfs/dbraw/zinc/33/06/76/663330676.db2.gz ZUAXEUUEQDGHCC-ZYHUDNBSSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CN(C(=O)Cc3ncc[nH]3)C2)O1 ZINC000994848928 663330682 /nfs/dbraw/zinc/33/06/82/663330682.db2.gz ZUAXEUUEQDGHCC-ZYHUDNBSSA-N 1 1 321.381 -1.002 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)C2 ZINC000938828640 663335033 /nfs/dbraw/zinc/33/50/33/663335033.db2.gz YTWWLJVILNUIGO-MNOVXSKESA-N 1 1 319.365 -1.044 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCN2CCCC2=O)NC1=O ZINC001038589797 663336580 /nfs/dbraw/zinc/33/65/80/663336580.db2.gz ZSLCTUAJHVXMAX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCN2CCCC2=O)NC1=O ZINC001038589797 663336581 /nfs/dbraw/zinc/33/65/81/663336581.db2.gz ZSLCTUAJHVXMAX-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000938869308 663336608 /nfs/dbraw/zinc/33/66/08/663336608.db2.gz CRLWIJRLBCTIPC-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCCNC2=O)C1)[C@@H]1CCCNC1=O ZINC001031748518 663336880 /nfs/dbraw/zinc/33/68/80/663336880.db2.gz BCBXJDCALZSXBX-VXGBXAGGSA-N 1 1 308.382 -1.161 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)C1=O ZINC001031748237 663337650 /nfs/dbraw/zinc/33/76/50/663337650.db2.gz YQSSPEVDZOLGJM-NWDGAFQWSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)C1=O ZINC001031748238 663337750 /nfs/dbraw/zinc/33/77/50/663337750.db2.gz YQSSPEVDZOLGJM-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000938990280 663339863 /nfs/dbraw/zinc/33/98/63/663339863.db2.gz XASJVUKKNXZMHE-WCQYABFASA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)C1 ZINC000938990280 663339868 /nfs/dbraw/zinc/33/98/68/663339868.db2.gz XASJVUKKNXZMHE-WCQYABFASA-N 1 1 321.381 -1.000 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000939113319 663343024 /nfs/dbraw/zinc/34/30/24/663343024.db2.gz JFOVYUADWYUHOQ-GMTAPVOTSA-N 1 1 321.385 -1.119 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939134801 663344031 /nfs/dbraw/zinc/34/40/31/663344031.db2.gz HWAJVDVEUMZYHQ-QWRGUYRKSA-N 1 1 321.385 -1.165 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000939130758 663344058 /nfs/dbraw/zinc/34/40/58/663344058.db2.gz DNTPKANJTYAUJU-QWRGUYRKSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001031796678 663345191 /nfs/dbraw/zinc/34/51/91/663345191.db2.gz SAJLGRLQOKAMOF-AAEUAGOBSA-N 1 1 312.414 -1.110 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)NC1 ZINC001031801955 663345795 /nfs/dbraw/zinc/34/57/95/663345795.db2.gz IYTFLTVFDPSJIA-QWRGUYRKSA-N 1 1 322.365 -1.634 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000939333413 663350729 /nfs/dbraw/zinc/35/07/29/663350729.db2.gz AVQXXRAWDYILQD-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cnnn3)C2)C1 ZINC000939340550 663351298 /nfs/dbraw/zinc/35/12/98/663351298.db2.gz ZARAKNWFQZHEBO-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC000994940696 663353275 /nfs/dbraw/zinc/35/32/75/663353275.db2.gz RQNGYKJDKMEWQK-ZJUUUORDSA-N 1 1 320.361 -1.729 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001031820068 663355768 /nfs/dbraw/zinc/35/57/68/663355768.db2.gz JBPHBPZOFMKWAK-SECBINFHSA-N 1 1 321.381 -1.080 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000939422627 663355798 /nfs/dbraw/zinc/35/57/98/663355798.db2.gz NDXOMWJIMALMJK-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](NC(=O)Cn3cccn3)C2)C1 ZINC000939422627 663355801 /nfs/dbraw/zinc/35/58/01/663355801.db2.gz NDXOMWJIMALMJK-CHWSQXEVSA-N 1 1 321.381 -1.069 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3nccn3)C2)n1 ZINC000994962758 663357892 /nfs/dbraw/zinc/35/78/92/663357892.db2.gz JOJAORMNIGZZMU-QWRGUYRKSA-N 1 1 319.373 -1.124 20 0 DAADMO Cn1cnn(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1=O ZINC000994975637 663359135 /nfs/dbraw/zinc/35/91/35/663359135.db2.gz RYJXVPWGIGBFRQ-JTQLQIEISA-N 1 1 322.369 -2.140 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000994993413 663361146 /nfs/dbraw/zinc/36/11/46/663361146.db2.gz ZORFWFYDMMZBFN-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939719184 663363404 /nfs/dbraw/zinc/36/34/04/663363404.db2.gz RYAPJEDVAYLLAC-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000939719184 663363405 /nfs/dbraw/zinc/36/34/05/663363405.db2.gz RYAPJEDVAYLLAC-UTUOFQBUSA-N 1 1 324.381 -1.687 20 0 DAADMO NC(=O)CN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856707 663365140 /nfs/dbraw/zinc/36/51/40/663365140.db2.gz GNCRGWIVCICKGT-WBFHCKIUSA-N 1 1 308.382 -1.617 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000939864129 663365181 /nfs/dbraw/zinc/36/51/81/663365181.db2.gz VVDIMQASCVSGMD-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000939864129 663365185 /nfs/dbraw/zinc/36/51/85/663365185.db2.gz VVDIMQASCVSGMD-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000939867033 663365373 /nfs/dbraw/zinc/36/53/73/663365373.db2.gz NKCYJDDJICGMKR-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC000939867033 663365375 /nfs/dbraw/zinc/36/53/75/663365375.db2.gz NKCYJDDJICGMKR-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000939864133 663365429 /nfs/dbraw/zinc/36/54/29/663365429.db2.gz WAYNSMDKPJWPOB-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)C1 ZINC000939864133 663365431 /nfs/dbraw/zinc/36/54/31/663365431.db2.gz WAYNSMDKPJWPOB-CHWSQXEVSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000939865936 663365660 /nfs/dbraw/zinc/36/56/60/663365660.db2.gz BSVNXIDHMKKJLE-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000939865936 663365662 /nfs/dbraw/zinc/36/56/62/663365662.db2.gz BSVNXIDHMKKJLE-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000939865974 663365873 /nfs/dbraw/zinc/36/58/73/663365873.db2.gz CKWWHCKTMCECAX-ZJUUUORDSA-N 1 1 308.342 -1.534 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC000939865974 663365875 /nfs/dbraw/zinc/36/58/75/663365875.db2.gz CKWWHCKTMCECAX-ZJUUUORDSA-N 1 1 308.342 -1.534 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000939863550 663365898 /nfs/dbraw/zinc/36/58/98/663365898.db2.gz FJOCFIDLTMQLGT-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000939863550 663365899 /nfs/dbraw/zinc/36/58/99/663365899.db2.gz FJOCFIDLTMQLGT-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001038593690 663365944 /nfs/dbraw/zinc/36/59/44/663365944.db2.gz OOISNDYEFMZRCP-NXEZZACHSA-N 1 1 323.353 -2.135 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCNC1=O ZINC001038593690 663365949 /nfs/dbraw/zinc/36/59/49/663365949.db2.gz OOISNDYEFMZRCP-NXEZZACHSA-N 1 1 323.353 -2.135 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)CN3CCOCC3)C2)C1 ZINC000940086008 663368058 /nfs/dbraw/zinc/36/80/58/663368058.db2.gz UWOKBZBDWCHQMR-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1 ZINC000940103534 663368356 /nfs/dbraw/zinc/36/83/56/663368356.db2.gz MRDFYOAAUMJBRL-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000940100593 663368669 /nfs/dbraw/zinc/36/86/69/663368669.db2.gz IKWZTKFXOUSWPJ-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC000995049053 663369059 /nfs/dbraw/zinc/36/90/59/663369059.db2.gz QRDTYVNSVVKTME-IUCAKERBSA-N 1 1 320.361 -1.578 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000940226260 663370208 /nfs/dbraw/zinc/37/02/08/663370208.db2.gz RZMJJWKKLIRWQR-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000940226260 663370212 /nfs/dbraw/zinc/37/02/12/663370212.db2.gz RZMJJWKKLIRWQR-PWSUYJOCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000940274203 663371905 /nfs/dbraw/zinc/37/19/05/663371905.db2.gz MMVQIUFFJOAMRY-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000940274203 663371908 /nfs/dbraw/zinc/37/19/08/663371908.db2.gz MMVQIUFFJOAMRY-MNOVXSKESA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000940509739 663374152 /nfs/dbraw/zinc/37/41/52/663374152.db2.gz LEFAPEBDLIOPOQ-NWDGAFQWSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC000995080698 663374313 /nfs/dbraw/zinc/37/43/13/663374313.db2.gz HGZTXPIXIXHXJL-LLVKDONJSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC000940522268 663374434 /nfs/dbraw/zinc/37/44/34/663374434.db2.gz FQLWROIVOPDQBL-WDEREUQCSA-N 1 1 322.369 -1.348 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000940529032 663374493 /nfs/dbraw/zinc/37/44/93/663374493.db2.gz UMACTUDRSOITIA-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000940509738 663374531 /nfs/dbraw/zinc/37/45/31/663374531.db2.gz LEFAPEBDLIOPOQ-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CCn3cnnn3)C2)C1 ZINC000940526577 663374567 /nfs/dbraw/zinc/37/45/67/663374567.db2.gz WNPMVRVDMWKNHV-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000940522614 663374584 /nfs/dbraw/zinc/37/45/84/663374584.db2.gz LELMLGCSCNOBLL-WDEREUQCSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CS(C)(=O)=O)C2)C1 ZINC000940522613 663374617 /nfs/dbraw/zinc/37/46/17/663374617.db2.gz LELMLGCSCNOBLL-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)CC(N)=O)CC2)C1 ZINC000940548770 663374994 /nfs/dbraw/zinc/37/49/94/663374994.db2.gz LYFVAZFCLWVXNO-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)CC(N)=O)CC2)C1 ZINC000940548770 663374996 /nfs/dbraw/zinc/37/49/96/663374996.db2.gz LYFVAZFCLWVXNO-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000940546222 663375001 /nfs/dbraw/zinc/37/50/01/663375001.db2.gz XCQNQGSUVQLRNV-LLVKDONJSA-N 1 1 318.341 -1.405 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940563045 663375269 /nfs/dbraw/zinc/37/52/69/663375269.db2.gz IXJWBPJPFIYAGG-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940563045 663375271 /nfs/dbraw/zinc/37/52/71/663375271.db2.gz IXJWBPJPFIYAGG-JTQLQIEISA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940563055 663375416 /nfs/dbraw/zinc/37/54/16/663375416.db2.gz IXJWBPJPFIYAGG-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000940563055 663375419 /nfs/dbraw/zinc/37/54/19/663375419.db2.gz IXJWBPJPFIYAGG-SNVBAGLBSA-N 1 1 309.374 -1.364 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000940550824 663375506 /nfs/dbraw/zinc/37/55/06/663375506.db2.gz GIYAOQZFXYOOCR-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000995085521 663375910 /nfs/dbraw/zinc/37/59/10/663375910.db2.gz OIYPUKKHQQHTIK-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031896918 663375991 /nfs/dbraw/zinc/37/59/91/663375991.db2.gz LUCQXDPZJOXQRG-BXKDBHETSA-N 1 1 323.397 -1.275 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031898270 663376008 /nfs/dbraw/zinc/37/60/08/663376008.db2.gz DUKOCYVKFLXMKI-CABZTGNLSA-N 1 1 308.382 -1.162 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCNC2=O)C1)C1CC1 ZINC001031896998 663376029 /nfs/dbraw/zinc/37/60/29/663376029.db2.gz NDFKEKDFXIMZOV-GFCCVEGCSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000995085522 663376078 /nfs/dbraw/zinc/37/60/78/663376078.db2.gz OIYPUKKHQQHTIK-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031898272 663376178 /nfs/dbraw/zinc/37/61/78/663376178.db2.gz DUKOCYVKFLXMKI-SKDRFNHKSA-N 1 1 308.382 -1.162 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)NC1=O ZINC001031897946 663376709 /nfs/dbraw/zinc/37/67/09/663376709.db2.gz XUZODFGCEHEXEZ-GFCCVEGCSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940611063 663376830 /nfs/dbraw/zinc/37/68/30/663376830.db2.gz MMFJXMMZCBZIKR-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CN1CCC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1=O ZINC001031900352 663377499 /nfs/dbraw/zinc/37/74/99/663377499.db2.gz OUXJUNIDHMZCRQ-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000940594876 663377509 /nfs/dbraw/zinc/37/75/09/663377509.db2.gz SZHPWAANRJVENU-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000940594876 663377511 /nfs/dbraw/zinc/37/75/11/663377511.db2.gz SZHPWAANRJVENU-LLVKDONJSA-N 1 1 322.369 -1.190 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000995086920 663377826 /nfs/dbraw/zinc/37/78/26/663377826.db2.gz RPLBZJBTQGSQEZ-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1)[C@@H]1CCNC1=O ZINC001031902586 663378149 /nfs/dbraw/zinc/37/81/49/663378149.db2.gz OXFFKMBNZFEIPT-NXEZZACHSA-N 1 1 308.338 -2.024 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000940616289 663378182 /nfs/dbraw/zinc/37/81/82/663378182.db2.gz SUGNWMQEBQWNAU-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1=O ZINC001031901986 663378297 /nfs/dbraw/zinc/37/82/97/663378297.db2.gz CZMKUUGEPMAKRW-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC000940616386 663378348 /nfs/dbraw/zinc/37/83/48/663378348.db2.gz VUGDJCAAIYFFKV-LLVKDONJSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1=O ZINC001031901988 663378484 /nfs/dbraw/zinc/37/84/84/663378484.db2.gz CZMKUUGEPMAKRW-RYUDHWBXSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)NC1=O ZINC001031903071 663378565 /nfs/dbraw/zinc/37/85/65/663378565.db2.gz UAAYCMOQPZGDIK-VXGBXAGGSA-N 1 1 323.397 -1.321 20 0 DAADMO CN1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)NC1=O ZINC001031903035 663378925 /nfs/dbraw/zinc/37/89/25/663378925.db2.gz SQYXLKGLEKJMPD-MNOVXSKESA-N 1 1 309.370 -1.663 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)C1=O ZINC001031905259 663379313 /nfs/dbraw/zinc/37/93/13/663379313.db2.gz DEAAFRYETCOPAY-NWDGAFQWSA-N 1 1 308.382 -1.114 20 0 DAADMO Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)cn1 ZINC001031903206 663379370 /nfs/dbraw/zinc/37/93/70/663379370.db2.gz XFSTWBRWDGHGAE-LBPRGKRZSA-N 1 1 306.370 -1.008 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666289 663379442 /nfs/dbraw/zinc/37/94/42/663379442.db2.gz LUMVRMSXVYYTLR-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3nccn3)C2)C1 ZINC000940666289 663379445 /nfs/dbraw/zinc/37/94/45/663379445.db2.gz LUMVRMSXVYYTLR-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000940747888 663379680 /nfs/dbraw/zinc/37/96/80/663379680.db2.gz QWGSVOLFDKBVPS-LLVKDONJSA-N 1 1 323.401 -1.022 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000940746656 663379732 /nfs/dbraw/zinc/37/97/32/663379732.db2.gz AZCZQGRXOUCYHI-QWRGUYRKSA-N 1 1 321.385 -1.222 20 0 DAADMO CC(C)N1CC[C@@H]([NH+]2CC(CNC(=O)c3nnn(C)n3)C2)C1=O ZINC001031907104 663379936 /nfs/dbraw/zinc/37/99/36/663379936.db2.gz ZDSLRDOXJBVDDD-LLVKDONJSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000940756307 663380048 /nfs/dbraw/zinc/38/00/48/663380048.db2.gz SWCIAEKNPPPWJM-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000940794419 663380404 /nfs/dbraw/zinc/38/04/04/663380404.db2.gz TWYSTHAKFMVUFU-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000940794419 663380408 /nfs/dbraw/zinc/38/04/08/663380408.db2.gz TWYSTHAKFMVUFU-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)c1=O ZINC000940850536 663380419 /nfs/dbraw/zinc/38/04/19/663380419.db2.gz IGKKCKHWMBGWHF-SNVBAGLBSA-N 1 1 324.385 -1.716 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)c1=O ZINC000940850536 663380423 /nfs/dbraw/zinc/38/04/23/663380423.db2.gz IGKKCKHWMBGWHF-SNVBAGLBSA-N 1 1 324.385 -1.716 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)c1=O ZINC000940850535 663380564 /nfs/dbraw/zinc/38/05/64/663380564.db2.gz IGKKCKHWMBGWHF-JTQLQIEISA-N 1 1 324.385 -1.716 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)c1=O ZINC000940850535 663380568 /nfs/dbraw/zinc/38/05/68/663380568.db2.gz IGKKCKHWMBGWHF-JTQLQIEISA-N 1 1 324.385 -1.716 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000940794418 663380583 /nfs/dbraw/zinc/38/05/83/663380583.db2.gz TWYSTHAKFMVUFU-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000940794418 663380587 /nfs/dbraw/zinc/38/05/87/663380587.db2.gz TWYSTHAKFMVUFU-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO CN1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCCNC3=O)C2)C1=O ZINC001031911874 663380645 /nfs/dbraw/zinc/38/06/45/663380645.db2.gz FPDLSVZQPNVXHG-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCN(C)C3=O)C2)C1=O ZINC001031912592 663380753 /nfs/dbraw/zinc/38/07/53/663380753.db2.gz NVIUMAWKPOINCH-NWDGAFQWSA-N 1 1 308.382 -1.257 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)c1=O ZINC000940850602 663380833 /nfs/dbraw/zinc/38/08/33/663380833.db2.gz ITZDXJAMPRZRRP-NSHDSACASA-N 1 1 311.386 -1.209 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000940938629 663381377 /nfs/dbraw/zinc/38/13/77/663381377.db2.gz LOCDANFJMUPJFM-GFCCVEGCSA-N 1 1 312.414 -1.373 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(F)F ZINC000940920481 663381554 /nfs/dbraw/zinc/38/15/54/663381554.db2.gz GTVDEFRDNCHRAI-BBBLOLIVSA-N 1 1 321.324 -1.076 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(F)F ZINC000940920481 663381555 /nfs/dbraw/zinc/38/15/55/663381555.db2.gz GTVDEFRDNCHRAI-BBBLOLIVSA-N 1 1 321.324 -1.076 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943684 663382393 /nfs/dbraw/zinc/38/23/93/663382393.db2.gz MMSYSFXCZXUMDF-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)NC1=O ZINC000940943684 663382396 /nfs/dbraw/zinc/38/23/96/663382396.db2.gz MMSYSFXCZXUMDF-ZJUUUORDSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962574 663382572 /nfs/dbraw/zinc/38/25/72/663382572.db2.gz ZNNOAAPSGHYCSV-IUCAKERBSA-N 1 1 309.374 -1.086 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962574 663382576 /nfs/dbraw/zinc/38/25/76/663382576.db2.gz ZNNOAAPSGHYCSV-IUCAKERBSA-N 1 1 309.374 -1.086 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962573 663382606 /nfs/dbraw/zinc/38/26/06/663382606.db2.gz ZNNOAAPSGHYCSV-DTWKUNHWSA-N 1 1 309.374 -1.086 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C(C)(C)C1 ZINC000940962573 663382609 /nfs/dbraw/zinc/38/26/09/663382609.db2.gz ZNNOAAPSGHYCSV-DTWKUNHWSA-N 1 1 309.374 -1.086 20 0 DAADMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cccn2)CC[C@H]1NC(=O)C(N)=O ZINC000941000635 663383172 /nfs/dbraw/zinc/38/31/72/663383172.db2.gz UTGSDFTZXCKESZ-VXGBXAGGSA-N 1 1 323.397 -1.054 20 0 DAADMO CC1(C)C[N@@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000940997656 663383212 /nfs/dbraw/zinc/38/32/12/663383212.db2.gz YKRRJVIQIYQNLM-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CC1(C)C[N@H+]([C@H]2CCC(=O)NC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000940997181 663383222 /nfs/dbraw/zinc/38/32/22/663383222.db2.gz PWXHMYMPMBYVPW-DTWKUNHWSA-N 1 1 310.354 -1.506 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000941097861 663384626 /nfs/dbraw/zinc/38/46/26/663384626.db2.gz UVDMGPOWKWQMKW-LBPRGKRZSA-N 1 1 321.385 -1.314 20 0 DAADMO O=C(NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1)c1c[nH]c(=O)cn1 ZINC001031933744 663385425 /nfs/dbraw/zinc/38/54/25/663385425.db2.gz LDEMFMYIBBCZJT-JTQLQIEISA-N 1 1 319.321 -1.763 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000941206844 663385532 /nfs/dbraw/zinc/38/55/32/663385532.db2.gz OIHRVKIURLGWFM-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000941206844 663385534 /nfs/dbraw/zinc/38/55/34/663385534.db2.gz OIHRVKIURLGWFM-JTQLQIEISA-N 1 1 324.381 -1.163 20 0 DAADMO CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000941226190 663386022 /nfs/dbraw/zinc/38/60/22/663386022.db2.gz LYWGWOPZOMXTSH-WDEREUQCSA-N 1 1 319.427 -1.113 20 0 DAADMO CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000941256561 663386262 /nfs/dbraw/zinc/38/62/62/663386262.db2.gz ZFWZJCJMAVPRNM-VHSXEESVSA-N 1 1 324.381 -1.259 20 0 DAADMO CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000941256561 663386265 /nfs/dbraw/zinc/38/62/65/663386265.db2.gz ZFWZJCJMAVPRNM-VHSXEESVSA-N 1 1 324.381 -1.259 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000995136302 663386932 /nfs/dbraw/zinc/38/69/32/663386932.db2.gz TZVSQEILQKFDAI-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)C1 ZINC000995137625 663387183 /nfs/dbraw/zinc/38/71/83/663387183.db2.gz UTRGPHXLTZOZEF-QWRGUYRKSA-N 1 1 308.382 -1.209 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000995141996 663388066 /nfs/dbraw/zinc/38/80/66/663388066.db2.gz TZVSQEILQKFDAI-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031941487 663388232 /nfs/dbraw/zinc/38/82/32/663388232.db2.gz FCCSQGJRIMUEAE-QWRGUYRKSA-N 1 1 309.370 -1.663 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1=O ZINC001031941485 663388262 /nfs/dbraw/zinc/38/82/62/663388262.db2.gz FCCSQGJRIMUEAE-GHMZBOCLSA-N 1 1 309.370 -1.663 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1=O ZINC001031941488 663388361 /nfs/dbraw/zinc/38/83/61/663388361.db2.gz FCCSQGJRIMUEAE-WDEREUQCSA-N 1 1 309.370 -1.663 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001031943101 663389359 /nfs/dbraw/zinc/38/93/59/663389359.db2.gz XCNBWLKHZZGINE-VIFPVBQESA-N 1 1 324.341 -2.732 20 0 DAADMO NC(=O)CC(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941352502 663390382 /nfs/dbraw/zinc/39/03/82/663390382.db2.gz CPKJPLQMFVRLHS-UHFFFAOYSA-N 1 1 321.385 -2.018 20 0 DAADMO O=C(CCn1ccnn1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941390935 663391698 /nfs/dbraw/zinc/39/16/98/663391698.db2.gz HYWCNDXADBRCNH-UHFFFAOYSA-N 1 1 308.386 -1.511 20 0 DAADMO O=C(C[C@H]1COC(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941378566 663392031 /nfs/dbraw/zinc/39/20/31/663392031.db2.gz XMNQXASGIPYCIX-GFCCVEGCSA-N 1 1 311.382 -1.240 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941374739 663392288 /nfs/dbraw/zinc/39/22/88/663392288.db2.gz HXWHQJDVLXSZFN-IJLUTSLNSA-N 1 1 322.369 -1.146 20 0 DAADMO CO[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000941374739 663392291 /nfs/dbraw/zinc/39/22/91/663392291.db2.gz HXWHQJDVLXSZFN-IJLUTSLNSA-N 1 1 322.369 -1.146 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941376122 663392340 /nfs/dbraw/zinc/39/23/40/663392340.db2.gz OXGVVBQNRWCLAJ-GFCCVEGCSA-N 1 1 310.398 -1.667 20 0 DAADMO Cc1nnc(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)[nH]1 ZINC000941403887 663392546 /nfs/dbraw/zinc/39/25/46/663392546.db2.gz LXPSIJGVTDJKEL-UHFFFAOYSA-N 1 1 308.386 -1.524 20 0 DAADMO Cc1nnc(CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)o1 ZINC000941401069 663392695 /nfs/dbraw/zinc/39/26/95/663392695.db2.gz QEBHZYLFMFEGBM-UHFFFAOYSA-N 1 1 309.370 -1.259 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)C1 ZINC000941396217 663392742 /nfs/dbraw/zinc/39/27/42/663392742.db2.gz BAMIYCWXINHQJT-GFCCVEGCSA-N 1 1 312.370 -1.430 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000941392756 663393073 /nfs/dbraw/zinc/39/30/73/663393073.db2.gz KORLTUJOSCXJGD-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941419722 663393680 /nfs/dbraw/zinc/39/36/80/663393680.db2.gz CENQARBPPKUGAS-UHFFFAOYSA-N 1 1 317.411 -2.148 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1=O ZINC000941428544 663393736 /nfs/dbraw/zinc/39/37/36/663393736.db2.gz SVANFTRZUZGZFM-LBPRGKRZSA-N 1 1 310.398 -1.715 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1 ZINC000941428919 663393829 /nfs/dbraw/zinc/39/38/29/663393829.db2.gz WTXXESBMGYIRGA-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000941431387 663394071 /nfs/dbraw/zinc/39/40/71/663394071.db2.gz OSUIUBGGRKQYPT-BBBLOLIVSA-N 1 1 314.342 -2.856 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000941431387 663394073 /nfs/dbraw/zinc/39/40/73/663394073.db2.gz OSUIUBGGRKQYPT-BBBLOLIVSA-N 1 1 314.342 -2.856 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941447194 663394181 /nfs/dbraw/zinc/39/41/81/663394181.db2.gz QNGUVZPWSJVOJX-CYBMUJFWSA-N 1 1 310.398 -1.524 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)[nH]c1=O ZINC001031951039 663394401 /nfs/dbraw/zinc/39/44/01/663394401.db2.gz KWGRYJCIJQBIFE-SNVBAGLBSA-N 1 1 321.337 -1.408 20 0 DAADMO O=C(C[C@@H]1CCC(=O)NC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941437115 663394568 /nfs/dbraw/zinc/39/45/68/663394568.db2.gz SCFYSBFKZLPNIF-ZDUSSCGKSA-N 1 1 324.425 -1.277 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)C1 ZINC000941436895 663394690 /nfs/dbraw/zinc/39/46/90/663394690.db2.gz KNNAMLFWHGBGOD-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941436746 663394716 /nfs/dbraw/zinc/39/47/16/663394716.db2.gz DQZFAUMNQZYKPY-LBPRGKRZSA-N 1 1 310.398 -1.667 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1=O ZINC000941449799 663394838 /nfs/dbraw/zinc/39/48/38/663394838.db2.gz QHRNNDRMFUQCCP-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)C1 ZINC000941471077 663395319 /nfs/dbraw/zinc/39/53/19/663395319.db2.gz OVUQOMOMNKTFOF-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC000941513539 663397057 /nfs/dbraw/zinc/39/70/57/663397057.db2.gz HXAWEVKQZOVWMQ-CYBMUJFWSA-N 1 1 310.398 -1.403 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1=O ZINC000941524895 663397128 /nfs/dbraw/zinc/39/71/28/663397128.db2.gz RAEOOWVDPPTFST-ZDUSSCGKSA-N 1 1 310.398 -1.715 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC000995158539 663397620 /nfs/dbraw/zinc/39/76/20/663397620.db2.gz MCYTWVLZVBZMNW-ZJUUUORDSA-N 1 1 319.373 -1.055 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC000941540696 663397922 /nfs/dbraw/zinc/39/79/22/663397922.db2.gz KWXVFCYJMNDFHL-LBPRGKRZSA-N 1 1 311.386 -1.857 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCCN(C(=O)C(N)=O)CC2)no1 ZINC000941528631 663398082 /nfs/dbraw/zinc/39/80/82/663398082.db2.gz XIHRAZICSCIIPB-UHFFFAOYSA-N 1 1 323.353 -1.104 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](CCc3ccns3)C2)CC1 ZINC000941543663 663398342 /nfs/dbraw/zinc/39/83/42/663398342.db2.gz ODGASRDJWSIAQD-UHFFFAOYSA-N 1 1 323.422 -1.001 20 0 DAADMO NC(=O)C(=O)N1CCN(C2C[NH+](CCn3cncn3)C2)CC1 ZINC000941543648 663398421 /nfs/dbraw/zinc/39/84/21/663398421.db2.gz NOEJWNXJLHVBGG-UHFFFAOYSA-N 1 1 307.358 -2.408 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941567556 663399035 /nfs/dbraw/zinc/39/90/35/663399035.db2.gz WNHQOFOHPQGIDI-CYBMUJFWSA-N 1 1 323.441 -1.216 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941567557 663399177 /nfs/dbraw/zinc/39/91/77/663399177.db2.gz WNHQOFOHPQGIDI-ZDUSSCGKSA-N 1 1 323.441 -1.216 20 0 DAADMO COCC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCNC3=O)CC2)C1 ZINC000941564227 663399428 /nfs/dbraw/zinc/39/94/28/663399428.db2.gz CZCGDSKPYPPMQH-INIZCTEOSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@]1(C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCNC1=O ZINC000941564177 663399705 /nfs/dbraw/zinc/39/97/05/663399705.db2.gz BAFIAWFNFUGJDT-HNNXBMFYSA-N 1 1 310.398 -1.667 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC(N)=O)C2)CC1 ZINC000941566346 663399731 /nfs/dbraw/zinc/39/97/31/663399731.db2.gz CIWBLUMUXAAGKA-OCCSQVGLSA-N 1 1 323.441 -1.502 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941605630 663399894 /nfs/dbraw/zinc/39/98/94/663399894.db2.gz QWUSCGSEWOYTKC-UHFFFAOYSA-N 1 1 324.381 -2.140 20 0 DAADMO Cc1nonc1CC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941627879 663400842 /nfs/dbraw/zinc/40/08/42/663400842.db2.gz MXRGZYJRBQDBGF-UHFFFAOYSA-N 1 1 309.370 -1.259 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941653474 663401635 /nfs/dbraw/zinc/40/16/35/663401635.db2.gz WAIOHUPAKUINEF-AWEZNQCLSA-N 1 1 324.425 -1.325 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941653153 663401703 /nfs/dbraw/zinc/40/17/03/663401703.db2.gz FHLNMXACSCUOKD-CQSZACIVSA-N 1 1 324.425 -1.182 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CCC1=O ZINC000941674965 663401784 /nfs/dbraw/zinc/40/17/84/663401784.db2.gz NXZVJAKCYCJNIL-ZDUSSCGKSA-N 1 1 324.425 -1.325 20 0 DAADMO CNC(=O)CN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665264 663402378 /nfs/dbraw/zinc/40/23/78/663402378.db2.gz PHAHEMPIUQRHHO-ZDUSSCGKSA-N 1 1 323.441 -1.488 20 0 DAADMO O=C(CCN1CCCC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941665057 663402415 /nfs/dbraw/zinc/40/24/15/663402415.db2.gz ATJPTLFXPSOGBC-UHFFFAOYSA-N 1 1 324.425 -1.180 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941662143 663402564 /nfs/dbraw/zinc/40/25/64/663402564.db2.gz YORITBVRBLMPKJ-UHFFFAOYSA-N 1 1 324.381 -2.044 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)Cn1cnnn1 ZINC000941787957 663404288 /nfs/dbraw/zinc/40/42/88/663404288.db2.gz AIAZUYHFQBPWHF-WDEREUQCSA-N 1 1 309.374 -1.412 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001031973249 663404492 /nfs/dbraw/zinc/40/44/92/663404492.db2.gz CEJKTPDVYZEBKY-GRYCIOLGSA-N 1 1 324.381 -1.702 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1=O ZINC001031973250 663404515 /nfs/dbraw/zinc/40/45/15/663404515.db2.gz CEJKTPDVYZEBKY-SDDRHHMPSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)Cn1cnnn1 ZINC000941794854 663404742 /nfs/dbraw/zinc/40/47/42/663404742.db2.gz ODYNZPQBCXIBLE-RYUDHWBXSA-N 1 1 319.373 -1.209 20 0 DAADMO CO[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941852724 663405930 /nfs/dbraw/zinc/40/59/30/663405930.db2.gz NFJPHSSZKBJPAX-GMTAPVOTSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2nnn(C)n2)C1 ZINC001031977822 663406617 /nfs/dbraw/zinc/40/66/17/663406617.db2.gz JDDLFNSHQTVSKL-JQWIXIFHSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nnnn2C)C1 ZINC001031978775 663407555 /nfs/dbraw/zinc/40/75/55/663407555.db2.gz WNYXAORZTRPWAS-CMPLNLGQSA-N 1 1 307.402 -1.044 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001031978540 663407595 /nfs/dbraw/zinc/40/75/95/663407595.db2.gz VJXBYAIJUHODST-ZYHUDNBSSA-N 1 1 322.413 -1.146 20 0 DAADMO NC(=O)c1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001031982040 663408510 /nfs/dbraw/zinc/40/85/10/663408510.db2.gz BWFJUIPCCIFUGE-NSHDSACASA-N 1 1 305.338 -1.336 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001031982229 663408705 /nfs/dbraw/zinc/40/87/05/663408705.db2.gz KSFUTUNLAZSBIS-KXUCPTDWSA-N 1 1 308.338 -2.039 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031982481 663408837 /nfs/dbraw/zinc/40/88/37/663408837.db2.gz RQGZTJLKGVFRAO-ZJUUUORDSA-N 1 1 323.353 -2.292 20 0 DAADMO CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1=O ZINC001031982303 663408949 /nfs/dbraw/zinc/40/89/49/663408949.db2.gz OAMJEMJZPHEUEP-GRYCIOLGSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)CN1CN=NC1=O ZINC000941958253 663409039 /nfs/dbraw/zinc/40/90/39/663409039.db2.gz HMIZGMRBILVOBI-GHMZBOCLSA-N 1 1 324.385 -1.102 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000941999743 663410053 /nfs/dbraw/zinc/41/00/53/663410053.db2.gz VOINNDHIULWRTA-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000942003370 663410877 /nfs/dbraw/zinc/41/08/77/663410877.db2.gz CVDDAJGJABTPLI-GWOFURMSSA-N 1 1 312.370 -1.846 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)nn1 ZINC000942042595 663411589 /nfs/dbraw/zinc/41/15/89/663411589.db2.gz UJCAZBDKFBQVOV-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO COCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)nn1 ZINC000942042595 663411591 /nfs/dbraw/zinc/41/15/91/663411591.db2.gz UJCAZBDKFBQVOV-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1NC(=O)Cn1ncnn1 ZINC000942057327 663411900 /nfs/dbraw/zinc/41/19/00/663411900.db2.gz MOVSOIBTEBGOHW-ZYHUDNBSSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942055546 663412139 /nfs/dbraw/zinc/41/21/39/663412139.db2.gz AMHOKZKCNWGXLF-NEPJUHHUSA-N 1 1 319.373 -1.209 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000942061051 663412688 /nfs/dbraw/zinc/41/26/88/663412688.db2.gz IAAPSMADDQPSPG-QWRGUYRKSA-N 1 1 324.385 -1.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)Cn1ncnn1 ZINC000942058601 663412696 /nfs/dbraw/zinc/41/26/96/663412696.db2.gz ZACWDKIUVZKLKY-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000942128188 663412981 /nfs/dbraw/zinc/41/29/81/663412981.db2.gz CPEOEIYKSGNPFX-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000942128188 663412984 /nfs/dbraw/zinc/41/29/84/663412984.db2.gz CPEOEIYKSGNPFX-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000942128194 663413179 /nfs/dbraw/zinc/41/31/79/663413179.db2.gz CPEOEIYKSGNPFX-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000942128194 663413181 /nfs/dbraw/zinc/41/31/81/663413181.db2.gz CPEOEIYKSGNPFX-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)CN1CCCS1(=O)=O ZINC000942098811 663413226 /nfs/dbraw/zinc/41/32/26/663413226.db2.gz BBLBWCZBQORSIJ-RYUDHWBXSA-N 1 1 319.427 -1.159 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](C)C1 ZINC000942141950 663413557 /nfs/dbraw/zinc/41/35/57/663413557.db2.gz FQHKAHUDHZWABM-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015866957 663414799 /nfs/dbraw/zinc/41/47/99/663414799.db2.gz WXLVZEFWJGKRTJ-RKDXNWHRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015866957 663414802 /nfs/dbraw/zinc/41/48/02/663414802.db2.gz WXLVZEFWJGKRTJ-RKDXNWHRSA-N 1 1 309.326 -2.383 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NC(=O)c3nnn(C)n3)C2)C1 ZINC000942196048 663415446 /nfs/dbraw/zinc/41/54/46/663415446.db2.gz MMIZNPRUGSCUGB-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000942197312 663415661 /nfs/dbraw/zinc/41/56/61/663415661.db2.gz KVTDKCBCAPHPSS-SNVBAGLBSA-N 1 1 318.341 -1.254 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC000942199149 663416049 /nfs/dbraw/zinc/41/60/49/663416049.db2.gz ALKITBWFRFYCAU-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC000942199151 663416196 /nfs/dbraw/zinc/41/61/96/663416196.db2.gz ALKITBWFRFYCAU-QWRGUYRKSA-N 1 1 324.385 -1.846 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ccnnc1 ZINC001032004569 663416758 /nfs/dbraw/zinc/41/67/58/663416758.db2.gz KUAPSSAZNQBASD-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCCNC1=O ZINC000942258552 663416909 /nfs/dbraw/zinc/41/69/09/663416909.db2.gz PUYRLJWWKVADON-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CCCNC1=O ZINC000942258552 663416910 /nfs/dbraw/zinc/41/69/10/663416910.db2.gz PUYRLJWWKVADON-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000942305338 663420150 /nfs/dbraw/zinc/42/01/50/663420150.db2.gz UYKRSIJUVLTCNV-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942307955 663420643 /nfs/dbraw/zinc/42/06/43/663420643.db2.gz KNVXGWHHQROJLN-MNOVXSKESA-N 1 1 322.369 -1.984 20 0 DAADMO Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)cn1 ZINC001032013781 663422766 /nfs/dbraw/zinc/42/27/66/663422766.db2.gz LOXHEQZDYFJTMJ-NSHDSACASA-N 1 1 320.353 -1.434 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1=O ZINC001032013929 663423186 /nfs/dbraw/zinc/42/31/86/663423186.db2.gz QAHUDHYKTTYBAQ-VHSXEESVSA-N 1 1 323.353 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC000942522681 663425569 /nfs/dbraw/zinc/42/55/69/663425569.db2.gz FROLOJHUHPDSSI-MNOVXSKESA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC000942522680 663425931 /nfs/dbraw/zinc/42/59/31/663425931.db2.gz FROLOJHUHPDSSI-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522614 663425934 /nfs/dbraw/zinc/42/59/34/663425934.db2.gz DXBZCALFHGWARO-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC000942522614 663425935 /nfs/dbraw/zinc/42/59/35/663425935.db2.gz DXBZCALFHGWARO-VHSXEESVSA-N 1 1 307.354 -1.294 20 0 DAADMO C[C@H]1C[N@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563157 663426524 /nfs/dbraw/zinc/42/65/24/663426524.db2.gz VSZCZTBYNKNLSB-GXSJLCMTSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](Cc2cnnn2C)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942563157 663426527 /nfs/dbraw/zinc/42/65/27/663426527.db2.gz VSZCZTBYNKNLSB-GXSJLCMTSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942561630 663426709 /nfs/dbraw/zinc/42/67/09/663426709.db2.gz ALFQEMLXXRXWOI-QWRGUYRKSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000942560461 663426961 /nfs/dbraw/zinc/42/69/61/663426961.db2.gz QKYLVBUWVTUPIR-STQMWFEESA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1NC(=O)C(N)=O ZINC000942591682 663427421 /nfs/dbraw/zinc/42/74/21/663427421.db2.gz NILDSKHHEHIUEF-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000942596330 663427819 /nfs/dbraw/zinc/42/78/19/663427819.db2.gz ZEGPQJKXVJOYJW-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cn[nH]n1 ZINC000942692747 663428120 /nfs/dbraw/zinc/42/81/20/663428120.db2.gz ATJIOINIJJCGFM-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942692747 663428123 /nfs/dbraw/zinc/42/81/23/663428123.db2.gz ATJIOINIJJCGFM-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942692747 663428127 /nfs/dbraw/zinc/42/81/27/663428127.db2.gz ATJIOINIJJCGFM-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO Cn1ncc(C(=O)NCC2C[NH+](CCN3C(=O)CCC3=O)C2)n1 ZINC001032048973 663429319 /nfs/dbraw/zinc/42/93/19/663429319.db2.gz PBPOCMDWXLFPSN-UHFFFAOYSA-N 1 1 320.353 -1.374 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032052486 663430754 /nfs/dbraw/zinc/43/07/54/663430754.db2.gz MYRNSDKGBSMRIY-SECBINFHSA-N 1 1 324.381 -1.436 20 0 DAADMO O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)c1ncn[nH]1 ZINC001032061152 663432032 /nfs/dbraw/zinc/43/20/32/663432032.db2.gz PPBZWKJHNVCRFU-LLVKDONJSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ccncn1 ZINC001032061598 663432143 /nfs/dbraw/zinc/43/21/43/663432143.db2.gz KVFVTMBNQMFPOG-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C[C@H]3CC(=O)NC3=O)C2)C1 ZINC000995307442 663432171 /nfs/dbraw/zinc/43/21/71/663432171.db2.gz YMBUDKXQKCFWOF-UWVGGRQHSA-N 1 1 322.365 -1.682 20 0 DAADMO O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)c1ncccn1 ZINC001032065668 663432911 /nfs/dbraw/zinc/43/29/11/663432911.db2.gz KLNZUPBULIAJGY-UHFFFAOYSA-N 1 1 318.337 -1.310 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000943495131 663435571 /nfs/dbraw/zinc/43/55/71/663435571.db2.gz BWQCARVNYZKCRZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000943495131 663435576 /nfs/dbraw/zinc/43/55/76/663435576.db2.gz BWQCARVNYZKCRZ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549719 663436531 /nfs/dbraw/zinc/43/65/31/663436531.db2.gz UVFBTINGVOPTAZ-SCZZXKLOSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000943549719 663436532 /nfs/dbraw/zinc/43/65/32/663436532.db2.gz UVFBTINGVOPTAZ-SCZZXKLOSA-N 1 1 310.354 -1.649 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674980 663436863 /nfs/dbraw/zinc/43/68/63/663436863.db2.gz LXHMIIXIULPBFP-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674980 663436864 /nfs/dbraw/zinc/43/68/64/663436864.db2.gz LXHMIIXIULPBFP-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674982 663437107 /nfs/dbraw/zinc/43/71/07/663437107.db2.gz LXHMIIXIULPBFP-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674982 663437110 /nfs/dbraw/zinc/43/71/10/663437110.db2.gz LXHMIIXIULPBFP-RKDXNWHRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674978 663437156 /nfs/dbraw/zinc/43/71/56/663437156.db2.gz LXHMIIXIULPBFP-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000943674978 663437158 /nfs/dbraw/zinc/43/71/58/663437158.db2.gz LXHMIIXIULPBFP-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC000995433109 663441732 /nfs/dbraw/zinc/44/17/32/663441732.db2.gz UWAHSXBPEMRTNE-VIFPVBQESA-N 1 1 320.361 -1.777 20 0 DAADMO CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001032136720 663442151 /nfs/dbraw/zinc/44/21/51/663442151.db2.gz DKOWXOSHMVMGKR-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC000944030757 663442362 /nfs/dbraw/zinc/44/23/62/663442362.db2.gz AKXIYJPQCOFAAL-WDEREUQCSA-N 1 1 312.370 -1.253 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032139024 663442368 /nfs/dbraw/zinc/44/23/68/663442368.db2.gz RRMQBUATGPUTIO-CABZTGNLSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@H](C(=O)NC1CC1)[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032139025 663442629 /nfs/dbraw/zinc/44/26/29/663442629.db2.gz RRMQBUATGPUTIO-SKDRFNHKSA-N 1 1 308.382 -1.020 20 0 DAADMO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1)C1CC1 ZINC001032138248 663442664 /nfs/dbraw/zinc/44/26/64/663442664.db2.gz SHTQGVRIHMGGOO-LBPRGKRZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC000944038470 663443412 /nfs/dbraw/zinc/44/34/12/663443412.db2.gz ZMIYFTOJPJWPKH-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCNC(=O)CC2)n1 ZINC001038601724 663443806 /nfs/dbraw/zinc/44/38/06/663443806.db2.gz PTOLFDIETVORBH-MNOVXSKESA-N 1 1 321.385 -1.070 20 0 DAADMO Cn1nc(C(=O)NCC2C[NH+]([C@@H]3CCCNC3=O)C2)ccc1=O ZINC001032173037 663444192 /nfs/dbraw/zinc/44/41/92/663444192.db2.gz KVGYETWXRMZHLE-GFCCVEGCSA-N 1 1 319.365 -1.280 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)c3ccc(=O)n(C)n3)C2)C1=O ZINC001032173310 663444280 /nfs/dbraw/zinc/44/42/80/663444280.db2.gz YIHVIICFXCWYFS-LBPRGKRZSA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173158 663444479 /nfs/dbraw/zinc/44/44/79/663444479.db2.gz QFSQJRGQEAXAFZ-SNVBAGLBSA-N 1 1 321.381 -1.081 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)c(=O)[nH]c1=O ZINC001032183837 663444872 /nfs/dbraw/zinc/44/48/72/663444872.db2.gz CAPJLCOKLUNWHD-SNVBAGLBSA-N 1 1 321.337 -1.964 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000995458665 663445000 /nfs/dbraw/zinc/44/50/00/663445000.db2.gz WMXAAASXVSIDTG-WCQYABFASA-N 1 1 324.381 -1.735 20 0 DAADMO CC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000995458665 663445001 /nfs/dbraw/zinc/44/50/01/663445001.db2.gz WMXAAASXVSIDTG-WCQYABFASA-N 1 1 324.381 -1.735 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC000944135459 663446375 /nfs/dbraw/zinc/44/63/75/663446375.db2.gz MHWACNLUYWKYRL-GHMZBOCLSA-N 1 1 312.370 -1.301 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC000944243997 663447212 /nfs/dbraw/zinc/44/72/12/663447212.db2.gz NOMWHFGOXHIAMP-IJLUTSLNSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000944210458 663447347 /nfs/dbraw/zinc/44/73/47/663447347.db2.gz RDIZRVACBLZPRF-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)n1 ZINC000944239828 663449238 /nfs/dbraw/zinc/44/92/38/663449238.db2.gz AJAJPDBQBNQCGN-PWSUYJOCSA-N 1 1 321.381 -1.136 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)n1 ZINC000944239828 663449239 /nfs/dbraw/zinc/44/92/39/663449239.db2.gz AJAJPDBQBNQCGN-PWSUYJOCSA-N 1 1 321.381 -1.136 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3nnnn3C)C2)C1 ZINC001032203083 663451395 /nfs/dbraw/zinc/45/13/95/663451395.db2.gz YVRJNFQLZBHQNA-GFCCVEGCSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3nnnn3C)C2)C1 ZINC001032203083 663451398 /nfs/dbraw/zinc/45/13/98/663451398.db2.gz YVRJNFQLZBHQNA-GFCCVEGCSA-N 1 1 323.401 -1.521 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001032202191 663452316 /nfs/dbraw/zinc/45/23/16/663452316.db2.gz OXDYKUCVGQUQJR-OLZOCXBDSA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC2CN([C@@H]3CCNC3=O)C2)C1 ZINC001032202191 663452319 /nfs/dbraw/zinc/45/23/19/663452319.db2.gz OXDYKUCVGQUQJR-OLZOCXBDSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cnn[n-]2)CCO1 ZINC000944516121 663454819 /nfs/dbraw/zinc/45/48/19/663454819.db2.gz MJWREFHTPSGJMY-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516121 663454820 /nfs/dbraw/zinc/45/48/20/663454820.db2.gz MJWREFHTPSGJMY-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC000944516121 663454821 /nfs/dbraw/zinc/45/48/21/663454821.db2.gz MJWREFHTPSGJMY-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2ncn[n-]2)CCO1 ZINC000944518713 663454854 /nfs/dbraw/zinc/45/48/54/663454854.db2.gz GAHXZBOKGSMELZ-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518713 663454856 /nfs/dbraw/zinc/45/48/56/663454856.db2.gz GAHXZBOKGSMELZ-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518713 663454859 /nfs/dbraw/zinc/45/48/59/663454859.db2.gz GAHXZBOKGSMELZ-WDEREUQCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncn[n-]2)CCO1 ZINC000944518710 663455034 /nfs/dbraw/zinc/45/50/34/663455034.db2.gz GAHXZBOKGSMELZ-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518710 663455041 /nfs/dbraw/zinc/45/50/41/663455041.db2.gz GAHXZBOKGSMELZ-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC000944518710 663455046 /nfs/dbraw/zinc/45/50/46/663455046.db2.gz GAHXZBOKGSMELZ-GHMZBOCLSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525917 663456813 /nfs/dbraw/zinc/45/68/13/663456813.db2.gz KFKAZJUNBBBKHM-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(C(=O)C(F)F)CCO2)C1 ZINC000944525917 663456814 /nfs/dbraw/zinc/45/68/14/663456814.db2.gz KFKAZJUNBBBKHM-NXEZZACHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524910 663456944 /nfs/dbraw/zinc/45/69/44/663456944.db2.gz ATRHFPSAWOZNQF-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1 ZINC000944524910 663456950 /nfs/dbraw/zinc/45/69/50/663456950.db2.gz ATRHFPSAWOZNQF-UWVGGRQHSA-N 1 1 314.342 -2.854 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2C)c(=O)n1C ZINC000944534113 663457631 /nfs/dbraw/zinc/45/76/31/663457631.db2.gz RVYOKBVIKFMHRY-CMPLNLGQSA-N 1 1 311.386 -1.291 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1 ZINC000944597113 663459599 /nfs/dbraw/zinc/45/95/99/663459599.db2.gz PDCJFMFNCMOJTO-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)c3cnon3)CCO2)C1 ZINC000944601320 663459659 /nfs/dbraw/zinc/45/96/59/663459659.db2.gz PHBCCGYTMYKWLC-GHMZBOCLSA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211762 663460481 /nfs/dbraw/zinc/46/04/81/663460481.db2.gz YEVDWRKAZSCAEP-SNVBAGLBSA-N 1 1 323.397 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](C)C1 ZINC000944635608 663460840 /nfs/dbraw/zinc/46/08/40/663460840.db2.gz UOUWANINHOFHFF-QWRGUYRKSA-N 1 1 321.381 -1.034 20 0 DAADMO Cn1cc(C(=O)NCC2C[NH+]([C@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001032211791 663461011 /nfs/dbraw/zinc/46/10/11/663461011.db2.gz ZIRSNVMBCUEHHM-NSHDSACASA-N 1 1 321.381 -1.384 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](C)C1 ZINC000944635609 663461016 /nfs/dbraw/zinc/46/10/16/663461016.db2.gz UOUWANINHOFHFF-WDEREUQCSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@H]([NH2+][C@H]1CN(C(=O)CC(N)=O)CC1(C)C)c1nnnn1C ZINC000995566590 663462846 /nfs/dbraw/zinc/46/28/46/663462846.db2.gz RFFMKSRKDGCFKY-IUCAKERBSA-N 1 1 309.374 -1.027 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3nnc[nH]3)C2)C1 ZINC000944717746 663463938 /nfs/dbraw/zinc/46/39/38/663463938.db2.gz NTTAELYMOZJRJW-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717746 663463940 /nfs/dbraw/zinc/46/39/40/663463940.db2.gz NTTAELYMOZJRJW-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717746 663463942 /nfs/dbraw/zinc/46/39/42/663463942.db2.gz NTTAELYMOZJRJW-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717746 663463944 /nfs/dbraw/zinc/46/39/44/663463944.db2.gz NTTAELYMOZJRJW-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717746 663463946 /nfs/dbraw/zinc/46/39/46/663463946.db2.gz NTTAELYMOZJRJW-WDEREUQCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3nnc[nH]3)C2)C1 ZINC000944717744 663464803 /nfs/dbraw/zinc/46/48/03/663464803.db2.gz NTTAELYMOZJRJW-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717744 663464808 /nfs/dbraw/zinc/46/48/08/663464808.db2.gz NTTAELYMOZJRJW-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3ncn[nH]3)C2)C1 ZINC000944717744 663464810 /nfs/dbraw/zinc/46/48/10/663464810.db2.gz NTTAELYMOZJRJW-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717744 663464813 /nfs/dbraw/zinc/46/48/13/663464813.db2.gz NTTAELYMOZJRJW-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)c3nc[nH]n3)C2)C1 ZINC000944717744 663464815 /nfs/dbraw/zinc/46/48/15/663464815.db2.gz NTTAELYMOZJRJW-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811992 663467923 /nfs/dbraw/zinc/46/79/23/663467923.db2.gz RLGINQUQQBKACS-RKDXNWHRSA-N 1 1 320.353 -1.499 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1nccnc1C(N)=O ZINC000944811992 663467924 /nfs/dbraw/zinc/46/79/24/663467924.db2.gz RLGINQUQQBKACS-RKDXNWHRSA-N 1 1 320.353 -1.499 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000944812004 663468203 /nfs/dbraw/zinc/46/82/03/663468203.db2.gz RNXMPDBDTPKWCG-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813749 663468272 /nfs/dbraw/zinc/46/82/72/663468272.db2.gz WOWRMMGHVUIEHJ-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000944813749 663468273 /nfs/dbraw/zinc/46/82/73/663468273.db2.gz WOWRMMGHVUIEHJ-UWVGGRQHSA-N 1 1 310.354 -1.553 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H]2CCc3ncnn32)n1 ZINC001038602529 663469105 /nfs/dbraw/zinc/46/91/05/663469105.db2.gz ZWYHPKQMUWKITH-NXEZZACHSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)n1 ZINC001038602529 663469107 /nfs/dbraw/zinc/46/91/07/663469107.db2.gz ZWYHPKQMUWKITH-NXEZZACHSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H]2CCc3ncnn32)n1 ZINC001038602531 663469462 /nfs/dbraw/zinc/46/94/62/663469462.db2.gz ZWYHPKQMUWKITH-VHSXEESVSA-N 1 1 317.357 -1.207 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCc3ncnn32)n1 ZINC001038602531 663469464 /nfs/dbraw/zinc/46/94/64/663469464.db2.gz ZWYHPKQMUWKITH-VHSXEESVSA-N 1 1 317.357 -1.207 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032227275 663469838 /nfs/dbraw/zinc/46/98/38/663469838.db2.gz OWCZAPXJXLQPCB-MNOVXSKESA-N 1 1 311.386 -1.159 20 0 DAADMO CN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032227249 663469920 /nfs/dbraw/zinc/46/99/20/663469920.db2.gz NWOMNVBHZRFNEN-RYUDHWBXSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945184638 663471211 /nfs/dbraw/zinc/47/12/11/663471211.db2.gz XDKVLSFIYQFQTE-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000945184643 663471452 /nfs/dbraw/zinc/47/14/52/663471452.db2.gz XDKVLSFIYQFQTE-ZJUUUORDSA-N 1 1 310.358 -1.804 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC000945224404 663471985 /nfs/dbraw/zinc/47/19/85/663471985.db2.gz RHJDDKBEFQKFTC-WDEREUQCSA-N 1 1 323.397 -1.090 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000945567224 663476661 /nfs/dbraw/zinc/47/66/61/663476661.db2.gz TUAFPVFIUVLVSD-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC2CCN(C(=O)CC(N)=O)CC2)C1 ZINC000945567224 663476662 /nfs/dbraw/zinc/47/66/62/663476662.db2.gz TUAFPVFIUVLVSD-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2cnn(C)n2)C1 ZINC000995707871 663477538 /nfs/dbraw/zinc/47/75/38/663477538.db2.gz AKUUNJOMWZINNE-MWLCHTKSSA-N 1 1 306.370 -1.047 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032283155 663480011 /nfs/dbraw/zinc/48/00/11/663480011.db2.gz PWUUZJAEMQFWJK-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032283155 663480014 /nfs/dbraw/zinc/48/00/14/663480014.db2.gz PWUUZJAEMQFWJK-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995793269 663482398 /nfs/dbraw/zinc/48/23/98/663482398.db2.gz BSFLNLIHWSHVAF-SNVBAGLBSA-N 1 1 319.373 -1.172 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC000995793031 663482403 /nfs/dbraw/zinc/48/24/03/663482403.db2.gz ASFCUDKHJLHNDP-SECBINFHSA-N 1 1 320.361 -1.777 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000996059322 663482764 /nfs/dbraw/zinc/48/27/64/663482764.db2.gz MVTPPXHXLFATRJ-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000996062252 663482847 /nfs/dbraw/zinc/48/28/47/663482847.db2.gz YIGRMYNDFCZWKR-NSHDSACASA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000996059084 663483015 /nfs/dbraw/zinc/48/30/15/663483015.db2.gz JKSAIXXCGHIFJD-NSHDSACASA-N 1 1 305.338 -1.345 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000996053840 663483039 /nfs/dbraw/zinc/48/30/39/663483039.db2.gz CGDGBZMLNVEODN-UHFFFAOYSA-N 1 1 303.326 -1.190 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000996056907 663483154 /nfs/dbraw/zinc/48/31/54/663483154.db2.gz QUYVQHONAQTEAI-JTQLQIEISA-N 1 1 306.326 -1.800 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CN(C(=O)c3nnn(C)n3)CC2(C)C)nn1 ZINC000996153972 663483678 /nfs/dbraw/zinc/48/36/78/663483678.db2.gz RVMZSDNJRJGYNW-JTQLQIEISA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C(C)(C)C2)n1 ZINC000996167667 663483899 /nfs/dbraw/zinc/48/38/99/663483899.db2.gz KCXBBLWSWFHQOJ-VIFPVBQESA-N 1 1 319.373 -1.021 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC000996211854 663484223 /nfs/dbraw/zinc/48/42/23/663484223.db2.gz JIWLKFWMGOEBAI-IUCAKERBSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1nnc(C(=O)N2C[C@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000996169247 663484293 /nfs/dbraw/zinc/48/42/93/663484293.db2.gz MUTZDNIBPMKCRJ-QMMMGPOBSA-N 1 1 320.361 -1.626 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C ZINC000996303913 663485721 /nfs/dbraw/zinc/48/57/21/663485721.db2.gz JSEYUQIBVRFNRW-KXUCPTDWSA-N 1 1 321.385 -1.342 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000996438437 663486135 /nfs/dbraw/zinc/48/61/35/663486135.db2.gz ZRFBSNFRZLOTIX-GXTWGEPZSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]([NH2+]Cc3nnnn3C)C(C)(C)C2)n1 ZINC000996408788 663486262 /nfs/dbraw/zinc/48/62/62/663486262.db2.gz XCTWITGWPXVXOH-SNVBAGLBSA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)Cn3cnnn3)C2)C1 ZINC000996434580 663486596 /nfs/dbraw/zinc/48/65/96/663486596.db2.gz NIYCLMHUJDYDOS-JTQLQIEISA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC000996435982 663486684 /nfs/dbraw/zinc/48/66/84/663486684.db2.gz MPJHNBPZESZZRZ-MWLCHTKSSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000996433620 663486863 /nfs/dbraw/zinc/48/68/63/663486863.db2.gz BVMJUJZLKTXMPR-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC000996435983 663487095 /nfs/dbraw/zinc/48/70/95/663487095.db2.gz MPJHNBPZESZZRZ-ONGXEEELSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC000996442412 663487116 /nfs/dbraw/zinc/48/71/16/663487116.db2.gz PNTHVVWHHHDSHF-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)Cn3ncnn3)CC2)n1 ZINC000996534872 663488357 /nfs/dbraw/zinc/48/83/57/663488357.db2.gz XJYJJEBTBWEALW-UHFFFAOYSA-N 1 1 306.334 -2.023 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC1(C)C ZINC000996536583 663488367 /nfs/dbraw/zinc/48/83/67/663488367.db2.gz QAWGPFUMVCIHSK-UWVGGRQHSA-N 1 1 321.385 -1.185 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3csnn3)C2)C1 ZINC000996592446 663489158 /nfs/dbraw/zinc/48/91/58/663489158.db2.gz NYVCLNHAUZTKRB-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3csnn3)C2)C1 ZINC000996592446 663489160 /nfs/dbraw/zinc/48/91/60/663489160.db2.gz NYVCLNHAUZTKRB-SNVBAGLBSA-N 1 1 311.367 -1.191 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001032324618 663492551 /nfs/dbraw/zinc/49/25/51/663492551.db2.gz OJHGWPLQSURVLB-DCAQKATOSA-N 1 1 304.354 -1.074 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCc2ncnn21 ZINC001032324619 663492940 /nfs/dbraw/zinc/49/29/40/663492940.db2.gz OJHGWPLQSURVLB-VWYCJHECSA-N 1 1 304.354 -1.074 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(=O)n(C)c1=O ZINC000735037045 663494341 /nfs/dbraw/zinc/49/43/41/663494341.db2.gz DOFLWABCFGWLCY-WDEREUQCSA-N 1 1 322.365 -1.323 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000735037043 663494556 /nfs/dbraw/zinc/49/45/56/663494556.db2.gz DOFLWABCFGWLCY-MNOVXSKESA-N 1 1 322.365 -1.323 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735045378 663494590 /nfs/dbraw/zinc/49/45/90/663494590.db2.gz DWWNEHZFWJNEIP-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(=O)n(C)c1=O ZINC000735037044 663494606 /nfs/dbraw/zinc/49/46/06/663494606.db2.gz DOFLWABCFGWLCY-QWRGUYRKSA-N 1 1 322.365 -1.323 20 0 DAADMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735014439 663494712 /nfs/dbraw/zinc/49/47/12/663494712.db2.gz SHMGPBZGPOKCHD-JTQLQIEISA-N 1 1 310.354 -1.466 20 0 DAADMO CC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735014439 663494715 /nfs/dbraw/zinc/49/47/15/663494715.db2.gz SHMGPBZGPOKCHD-JTQLQIEISA-N 1 1 310.354 -1.466 20 0 DAADMO CCOCC[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735051960 663495332 /nfs/dbraw/zinc/49/53/32/663495332.db2.gz RLZSWNSHJWWRJD-UHFFFAOYSA-N 1 1 324.381 -1.122 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)n1 ZINC000996882098 663497282 /nfs/dbraw/zinc/49/72/82/663497282.db2.gz GKKOURZBBKYWPZ-JTQLQIEISA-N 1 1 322.373 -1.686 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]C2CCN(C(=O)C(N)=O)CC2)n1 ZINC000996939041 663498970 /nfs/dbraw/zinc/49/89/70/663498970.db2.gz SGQBOMVZUOFRCU-UHFFFAOYSA-N 1 1 324.341 -2.076 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032360995 663499697 /nfs/dbraw/zinc/49/96/97/663499697.db2.gz AWNJNCPSZOPXDW-MELADBBJSA-N 1 1 322.409 -1.118 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032361839 663499765 /nfs/dbraw/zinc/49/97/65/663499765.db2.gz DTUOVSVTTCMKEU-LPEHRKFASA-N 1 1 306.326 -1.843 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032361839 663499768 /nfs/dbraw/zinc/49/97/68/663499768.db2.gz DTUOVSVTTCMKEU-LPEHRKFASA-N 1 1 306.326 -1.843 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032361838 663499870 /nfs/dbraw/zinc/49/98/70/663499870.db2.gz DTUOVSVTTCMKEU-GUBZILKMSA-N 1 1 306.326 -1.843 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032361838 663499873 /nfs/dbraw/zinc/49/98/73/663499873.db2.gz DTUOVSVTTCMKEU-GUBZILKMSA-N 1 1 306.326 -1.843 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032365071 663500205 /nfs/dbraw/zinc/50/02/05/663500205.db2.gz LLZIAJFPVDODHA-IHRRRGAJSA-N 1 1 320.397 -1.106 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032365071 663500209 /nfs/dbraw/zinc/50/02/09/663500209.db2.gz LLZIAJFPVDODHA-IHRRRGAJSA-N 1 1 320.397 -1.106 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CN2CN=NC2=O)C1=O ZINC001032366099 663500505 /nfs/dbraw/zinc/50/05/05/663500505.db2.gz VDLXCJIBLIKMEI-GARJFASQSA-N 1 1 320.353 -1.501 20 0 DAADMO NC(=O)C(=O)N1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000997063005 663501975 /nfs/dbraw/zinc/50/19/75/663501975.db2.gz FXDPNLQZEDOSNB-CFEOFWIRSA-N 1 1 308.338 -2.338 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)cc1=O ZINC001032375986 663502153 /nfs/dbraw/zinc/50/21/53/663502153.db2.gz DMYHXDGYYMPSFQ-LPEHRKFASA-N 1 1 306.322 -1.235 20 0 DAADMO Cn1oc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)cc1=O ZINC001032375986 663502154 /nfs/dbraw/zinc/50/21/54/663502154.db2.gz DMYHXDGYYMPSFQ-LPEHRKFASA-N 1 1 306.322 -1.235 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000997087146 663502315 /nfs/dbraw/zinc/50/23/15/663502315.db2.gz WPQKEZHKRGTMCN-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(N)=O)C1 ZINC000997087146 663502316 /nfs/dbraw/zinc/50/23/16/663502316.db2.gz WPQKEZHKRGTMCN-NOOOWODRSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC000997104898 663503105 /nfs/dbraw/zinc/50/31/05/663503105.db2.gz BDEQDXCGOYHJLE-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnnn2C)C1=O ZINC001032382169 663503392 /nfs/dbraw/zinc/50/33/92/663503392.db2.gz WIKGHLBENUSPNQ-DCAQKATOSA-N 1 1 304.354 -1.056 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnnn2C)C1=O ZINC001032382169 663503394 /nfs/dbraw/zinc/50/33/94/663503394.db2.gz WIKGHLBENUSPNQ-DCAQKATOSA-N 1 1 304.354 -1.056 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032384259 663503683 /nfs/dbraw/zinc/50/36/83/663503683.db2.gz JGHQFNUYVCNUCC-GARJFASQSA-N 1 1 323.353 -1.595 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032384259 663503684 /nfs/dbraw/zinc/50/36/84/663503684.db2.gz JGHQFNUYVCNUCC-GARJFASQSA-N 1 1 323.353 -1.595 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001032387660 663503726 /nfs/dbraw/zinc/50/37/26/663503726.db2.gz HGOCMYOJXLAOJG-ATZCPNFKSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001032387660 663503729 /nfs/dbraw/zinc/50/37/29/663503729.db2.gz HGOCMYOJXLAOJG-ATZCPNFKSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1nnc(C[NH2+]C2CCN(C(=O)CCn3cnnn3)CC2)n1 ZINC000997121165 663504325 /nfs/dbraw/zinc/50/43/25/663504325.db2.gz VTKBQKDQCAYBPD-UHFFFAOYSA-N 1 1 320.361 -1.633 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032405332 663505678 /nfs/dbraw/zinc/50/56/78/663505678.db2.gz VOMLTBZHBVDIMG-DCAQKATOSA-N 1 1 305.342 -1.763 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032405333 663506062 /nfs/dbraw/zinc/50/60/62/663506062.db2.gz VOMLTBZHBVDIMG-GARJFASQSA-N 1 1 305.342 -1.763 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000736660509 663507430 /nfs/dbraw/zinc/50/74/30/663507430.db2.gz IQLWDOIAJIQHLM-LLVKDONJSA-N 1 1 322.431 -1.054 20 0 DAADMO NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000997189832 663507515 /nfs/dbraw/zinc/50/75/15/663507515.db2.gz GGFDHVPMJYEJBP-SECBINFHSA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000997189832 663507516 /nfs/dbraw/zinc/50/75/16/663507516.db2.gz GGFDHVPMJYEJBP-SECBINFHSA-N 1 1 306.370 -1.025 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc(C(N)=O)n1 ZINC001032412483 663507579 /nfs/dbraw/zinc/50/75/79/663507579.db2.gz ZFWBQZCYSNPDKF-UTLUCORTSA-N 1 1 308.342 -1.957 20 0 DAADMO Cc1nn[nH]c1C(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000997340946 663509634 /nfs/dbraw/zinc/50/96/34/663509634.db2.gz YZTSQVDFKZDHHV-UHFFFAOYSA-N 1 1 322.369 -1.224 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)c1=O ZINC001032433530 663511005 /nfs/dbraw/zinc/51/10/05/663511005.db2.gz OPKLIZDSJCIXIY-QWRGUYRKSA-N 1 1 308.338 -2.176 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)c1=O ZINC001032433530 663511007 /nfs/dbraw/zinc/51/10/07/663511007.db2.gz OPKLIZDSJCIXIY-QWRGUYRKSA-N 1 1 308.338 -2.176 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032448454 663511336 /nfs/dbraw/zinc/51/13/36/663511336.db2.gz OIGSIFLKAKIJKS-SRVKXCTJSA-N 1 1 322.365 -1.981 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032448454 663511338 /nfs/dbraw/zinc/51/13/38/663511338.db2.gz OIGSIFLKAKIJKS-SRVKXCTJSA-N 1 1 322.365 -1.981 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC000997433037 663513532 /nfs/dbraw/zinc/51/35/32/663513532.db2.gz WIOOZZKKPYWLOE-JLLWLGSASA-N 1 1 308.382 -1.210 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997433726 663513635 /nfs/dbraw/zinc/51/36/35/663513635.db2.gz ZURDOKZRAFCIOH-NSHDSACASA-N 1 1 305.338 -1.345 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997428702 663516628 /nfs/dbraw/zinc/51/66/28/663516628.db2.gz ZTEZRAPOYHJMFE-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC000997428747 663516633 /nfs/dbraw/zinc/51/66/33/663516633.db2.gz ZYJHFFJSPFIFCL-JQWIXIFHSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997427342 663516807 /nfs/dbraw/zinc/51/68/07/663516807.db2.gz QPOHCWMOVBNBJO-NSHDSACASA-N 1 1 305.338 -1.345 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC000997428752 663516830 /nfs/dbraw/zinc/51/68/30/663516830.db2.gz ZYJHFFJSPFIFCL-ZYHUDNBSSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997427336 663516880 /nfs/dbraw/zinc/51/68/80/663516880.db2.gz QPOHCWMOVBNBJO-LLVKDONJSA-N 1 1 305.338 -1.345 20 0 DAADMO CN1C[C@@H](C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC000997440402 663517362 /nfs/dbraw/zinc/51/73/62/663517362.db2.gz DOWGSYFRKALYEB-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC000997451329 663519036 /nfs/dbraw/zinc/51/90/36/663519036.db2.gz NKAKEFHGKQZUTR-ZYHUDNBSSA-N 1 1 323.397 -1.321 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000997451236 663519189 /nfs/dbraw/zinc/51/91/89/663519189.db2.gz MCCNFLVAYHHMNY-LLVKDONJSA-N 1 1 320.353 -1.458 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000997451328 663519196 /nfs/dbraw/zinc/51/91/96/663519196.db2.gz NKAKEFHGKQZUTR-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCN(C)C(=O)C1 ZINC001032485152 663519851 /nfs/dbraw/zinc/51/98/51/663519851.db2.gz BWGYSCVXWZIXGC-AVGNSLFASA-N 1 1 310.398 -1.574 20 0 DAADMO Cn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)ncc1=O ZINC000997524765 663520580 /nfs/dbraw/zinc/52/05/80/663520580.db2.gz KORYUCGSKAWXNR-GFCCVEGCSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001032494509 663520741 /nfs/dbraw/zinc/52/07/41/663520741.db2.gz GGUKIIWNYRHYOQ-SDDRHHMPSA-N 1 1 317.353 -1.039 20 0 DAADMO O=C(c1cn[nH]n1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001032494509 663520744 /nfs/dbraw/zinc/52/07/44/663520744.db2.gz GGUKIIWNYRHYOQ-SDDRHHMPSA-N 1 1 317.353 -1.039 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)ncc1=O ZINC001032530016 663522669 /nfs/dbraw/zinc/52/26/69/663522669.db2.gz DAHGCMINHUZNDP-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)ncc1=O ZINC001032530016 663522672 /nfs/dbraw/zinc/52/26/72/663522672.db2.gz DAHGCMINHUZNDP-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529822 663522779 /nfs/dbraw/zinc/52/27/79/663522779.db2.gz YIQKKPJXKZGOOL-UXQPOQGDSA-N 1 1 320.393 -1.380 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997768421 663525221 /nfs/dbraw/zinc/52/52/21/663525221.db2.gz XOBGIXJDAGQHIF-VIFPVBQESA-N 1 1 323.353 -2.183 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC000997768414 663525287 /nfs/dbraw/zinc/52/52/87/663525287.db2.gz XOBGIXJDAGQHIF-SECBINFHSA-N 1 1 323.353 -2.183 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032550515 663525732 /nfs/dbraw/zinc/52/57/32/663525732.db2.gz VMSUUIGHTIYQRZ-RYUDHWBXSA-N 1 1 317.349 -1.227 20 0 DAADMO O=C(Cn1nc2ccccn2c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032550515 663525736 /nfs/dbraw/zinc/52/57/36/663525736.db2.gz VMSUUIGHTIYQRZ-RYUDHWBXSA-N 1 1 317.349 -1.227 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1nnc[nH]1 ZINC000997818505 663527420 /nfs/dbraw/zinc/52/74/20/663527420.db2.gz WNZBGCNERFUVHF-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1ncn[nH]1 ZINC000997818505 663527422 /nfs/dbraw/zinc/52/74/22/663527422.db2.gz WNZBGCNERFUVHF-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1ncn[nH]1 ZINC000997818505 663527425 /nfs/dbraw/zinc/52/74/25/663527425.db2.gz WNZBGCNERFUVHF-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)c1nc[nH]n1 ZINC000997818505 663527428 /nfs/dbraw/zinc/52/74/28/663527428.db2.gz WNZBGCNERFUVHF-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1)c1nc[nH]n1 ZINC000997818505 663527430 /nfs/dbraw/zinc/52/74/30/663527430.db2.gz WNZBGCNERFUVHF-WDEREUQCSA-N 1 1 320.353 -1.392 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000997861923 663528603 /nfs/dbraw/zinc/52/86/03/663528603.db2.gz AJRRLSOXKZLJJE-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000997861923 663528606 /nfs/dbraw/zinc/52/86/06/663528606.db2.gz AJRRLSOXKZLJJE-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000997868411 663529340 /nfs/dbraw/zinc/52/93/40/663529340.db2.gz VKQMCYVCAJXUSP-SECBINFHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000997875705 663529572 /nfs/dbraw/zinc/52/95/72/663529572.db2.gz KUEFMKIJMQHXSE-PSASIEDQSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC000997873395 663529905 /nfs/dbraw/zinc/52/99/05/663529905.db2.gz QHOCMECRFRDFGK-SECBINFHSA-N 1 1 307.358 -1.508 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000997875978 663529940 /nfs/dbraw/zinc/52/99/40/663529940.db2.gz NOTCYEPLGKRHOT-WDEREUQCSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000997876618 663530090 /nfs/dbraw/zinc/53/00/90/663530090.db2.gz BTZUNLRQWWCQFC-UHFFFAOYSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC000997876923 663530286 /nfs/dbraw/zinc/53/02/86/663530286.db2.gz ZEWXQFZIQORDLY-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)c[nH]c1=O ZINC001032561593 663530630 /nfs/dbraw/zinc/53/06/30/663530630.db2.gz UXRIEQDRBRAYCQ-LPEHRKFASA-N 1 1 305.338 -1.087 20 0 DAADMO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)c[nH]c1=O ZINC001032561593 663530635 /nfs/dbraw/zinc/53/06/35/663530635.db2.gz UXRIEQDRBRAYCQ-LPEHRKFASA-N 1 1 305.338 -1.087 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC000997879010 663530750 /nfs/dbraw/zinc/53/07/50/663530750.db2.gz UYROVSVZCOSCBZ-UWVGGRQHSA-N 1 1 321.385 -1.119 20 0 DAADMO Cn1nnc(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000997879253 663530909 /nfs/dbraw/zinc/53/09/09/663530909.db2.gz XFGFTTQZWQHSRU-JTQLQIEISA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)c[nH]c1=O ZINC001032561592 663530971 /nfs/dbraw/zinc/53/09/71/663530971.db2.gz UXRIEQDRBRAYCQ-GUBZILKMSA-N 1 1 305.338 -1.087 20 0 DAADMO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)c[nH]c1=O ZINC001032561592 663530973 /nfs/dbraw/zinc/53/09/73/663530973.db2.gz UXRIEQDRBRAYCQ-GUBZILKMSA-N 1 1 305.338 -1.087 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cncn2)NC1=O ZINC001032563200 663531205 /nfs/dbraw/zinc/53/12/05/663531205.db2.gz RBMHPIFBPMFIRD-SRVKXCTJSA-N 1 1 319.369 -1.413 20 0 DAADMO CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cncn2)NC1=O ZINC001032563200 663531209 /nfs/dbraw/zinc/53/12/09/663531209.db2.gz RBMHPIFBPMFIRD-SRVKXCTJSA-N 1 1 319.369 -1.413 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032575336 663531367 /nfs/dbraw/zinc/53/13/67/663531367.db2.gz BTYOSOWWXGVJIF-DYOQXNRMSA-N 1 1 319.361 -1.031 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032575336 663531369 /nfs/dbraw/zinc/53/13/69/663531369.db2.gz BTYOSOWWXGVJIF-DYOQXNRMSA-N 1 1 319.361 -1.031 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)C1=O ZINC001032571532 663531696 /nfs/dbraw/zinc/53/16/96/663531696.db2.gz ISPBHZGZGIZNGK-DCAQKATOSA-N 1 1 319.369 -1.270 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nnn(C)n2)C1=O ZINC001032571532 663531697 /nfs/dbraw/zinc/53/16/97/663531697.db2.gz ISPBHZGZGIZNGK-DCAQKATOSA-N 1 1 319.369 -1.270 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000997915045 663531975 /nfs/dbraw/zinc/53/19/75/663531975.db2.gz FVGOQXFTDNJFPM-RYUDHWBXSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC000997915041 663532072 /nfs/dbraw/zinc/53/20/72/663532072.db2.gz FVGOQXFTDNJFPM-NEPJUHHUSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000997950513 663533708 /nfs/dbraw/zinc/53/37/08/663533708.db2.gz ZEFREOIFXPCVLQ-PWSUYJOCSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000997947616 663533949 /nfs/dbraw/zinc/53/39/49/663533949.db2.gz KAHOMOBVLORPHP-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032587514 663534192 /nfs/dbraw/zinc/53/41/92/663534192.db2.gz JREZPPOQZRWIQR-AVGNSLFASA-N 1 1 310.398 -1.134 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(N)=O)C1 ZINC001032587514 663534195 /nfs/dbraw/zinc/53/41/95/663534195.db2.gz JREZPPOQZRWIQR-AVGNSLFASA-N 1 1 310.398 -1.134 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032591381 663534208 /nfs/dbraw/zinc/53/42/08/663534208.db2.gz HMXJJTHVMCJHHJ-NHCYSSNCSA-N 1 1 317.349 -1.053 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032591630 663534436 /nfs/dbraw/zinc/53/44/36/663534436.db2.gz KBLZFQKTHSLIFA-QWRGUYRKSA-N 1 1 315.337 -1.040 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032591630 663534438 /nfs/dbraw/zinc/53/44/38/663534438.db2.gz KBLZFQKTHSLIFA-QWRGUYRKSA-N 1 1 315.337 -1.040 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001032591380 663534471 /nfs/dbraw/zinc/53/44/71/663534471.db2.gz HMXJJTHVMCJHHJ-JBLDHEPKSA-N 1 1 317.349 -1.053 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032597686 663535299 /nfs/dbraw/zinc/53/52/99/663535299.db2.gz ZATLBBFGGQXNEN-DCAQKATOSA-N 1 1 305.342 -1.755 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032597686 663535301 /nfs/dbraw/zinc/53/53/01/663535301.db2.gz ZATLBBFGGQXNEN-DCAQKATOSA-N 1 1 305.342 -1.755 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCNC1=O ZINC001032595717 663535322 /nfs/dbraw/zinc/53/53/22/663535322.db2.gz XQCCUSYHFDUINC-DCAQKATOSA-N 1 1 322.369 -2.022 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCNC1=O ZINC001032595717 663535323 /nfs/dbraw/zinc/53/53/23/663535323.db2.gz XQCCUSYHFDUINC-DCAQKATOSA-N 1 1 322.369 -2.022 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000998077780 663536313 /nfs/dbraw/zinc/53/63/13/663536313.db2.gz MUKDZSLTXPCIGH-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000998077779 663536392 /nfs/dbraw/zinc/53/63/92/663536392.db2.gz MUKDZSLTXPCIGH-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)CC[C@@H]2C1 ZINC000946471565 663536885 /nfs/dbraw/zinc/53/68/85/663536885.db2.gz RRRGPLWZUXKKCW-TXEJJXNPSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)Cn3ncnn3)C2)CC[N@H+]1C ZINC000998169637 663537831 /nfs/dbraw/zinc/53/78/31/663537831.db2.gz NARTYHCHYJSDLU-QWRGUYRKSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CC(NC(=O)c2cnon2)C1 ZINC000998220081 663538079 /nfs/dbraw/zinc/53/80/79/663538079.db2.gz XLHZHBXPPDSKAA-UHFFFAOYSA-N 1 1 309.326 -1.268 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1)c1cnon1 ZINC000998235745 663538464 /nfs/dbraw/zinc/53/84/64/663538464.db2.gz ITVDJRRMGQMIOY-ZYHUDNBSSA-N 1 1 321.337 -1.127 20 0 DAADMO CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)C(N)=O ZINC000946503290 663540395 /nfs/dbraw/zinc/54/03/95/663540395.db2.gz RESXIXSUCMVPQE-HBNTYKKESA-N 1 1 312.370 -1.845 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cccnn3)C2)C1 ZINC000998292775 663540589 /nfs/dbraw/zinc/54/05/89/663540589.db2.gz PYTIYSIJAIWWSS-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)c3cccnn3)C2)C1 ZINC000998292775 663540593 /nfs/dbraw/zinc/54/05/93/663540593.db2.gz PYTIYSIJAIWWSS-GFCCVEGCSA-N 1 1 305.338 -1.252 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)O1 ZINC000998391751 663541906 /nfs/dbraw/zinc/54/19/06/663541906.db2.gz KBHDGIZYUCPFOX-ZYHUDNBSSA-N 1 1 321.381 -1.002 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(NC(=O)Cc3ncc[nH]3)C2)O1 ZINC000998391751 663541909 /nfs/dbraw/zinc/54/19/09/663541909.db2.gz KBHDGIZYUCPFOX-ZYHUDNBSSA-N 1 1 321.381 -1.002 20 0 DAADMO CN(C(=O)CN1CCCC1=O)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000998427520 663542358 /nfs/dbraw/zinc/54/23/58/663542358.db2.gz VEVBJWZUVAZJAR-UHFFFAOYSA-N 1 1 321.385 -1.089 20 0 DAADMO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998425059 663542586 /nfs/dbraw/zinc/54/25/86/663542586.db2.gz CVCGHUPYCPKNFP-XNWIYYODSA-N 1 1 320.361 -1.463 20 0 DAADMO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000998492089 663542904 /nfs/dbraw/zinc/54/29/04/663542904.db2.gz XHJLQWLWPRSAJR-UWVGGRQHSA-N 1 1 320.361 -1.462 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)Cn3cnnn3)C2)[nH]1 ZINC000998492154 663543166 /nfs/dbraw/zinc/54/31/66/663543166.db2.gz YELIJRNHKKYZHI-SNVBAGLBSA-N 1 1 305.346 -1.120 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CN(C(=O)C(N)=O)C1)CC2 ZINC000998569674 663543421 /nfs/dbraw/zinc/54/34/21/663543421.db2.gz KDVYJPXTQQBLLX-VIFPVBQESA-N 1 1 305.338 -1.434 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998568910 663543867 /nfs/dbraw/zinc/54/38/67/663543867.db2.gz BZNOFRDPGWKRIF-UHFFFAOYSA-N 1 1 316.321 -1.084 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(=O)cn3)C2)C1 ZINC000998574808 663544250 /nfs/dbraw/zinc/54/42/50/663544250.db2.gz SFQZIYICAPNBFD-SECBINFHSA-N 1 1 305.338 -1.338 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000998575714 663544270 /nfs/dbraw/zinc/54/42/70/663544270.db2.gz ZKMXYBOMCXHBEZ-GXSJLCMTSA-N 1 1 319.365 -1.092 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)n1 ZINC000998664463 663545028 /nfs/dbraw/zinc/54/50/28/663545028.db2.gz FUJZRBAWCPVCDH-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000998592352 663545147 /nfs/dbraw/zinc/54/51/47/663545147.db2.gz CMDHZAFJMYGZIS-GHMZBOCLSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998669945 663545385 /nfs/dbraw/zinc/54/53/85/663545385.db2.gz HZGMYOBNLVCVBV-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998673518 663545895 /nfs/dbraw/zinc/54/58/95/663545895.db2.gz IOWWGXTZSOOXPN-KOLCDFICSA-N 1 1 309.370 -1.663 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC000998670806 663546402 /nfs/dbraw/zinc/54/64/02/663546402.db2.gz JSVSTGRRDUKOEV-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998671115 663546627 /nfs/dbraw/zinc/54/66/27/663546627.db2.gz BBJDVISQPSWGMH-NSHDSACASA-N 1 1 323.397 -1.273 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998671114 663546831 /nfs/dbraw/zinc/54/68/31/663546831.db2.gz BBJDVISQPSWGMH-LLVKDONJSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998674036 663547247 /nfs/dbraw/zinc/54/72/47/663547247.db2.gz LVAXVGMENJGWOQ-NXEZZACHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998674036 663547248 /nfs/dbraw/zinc/54/72/48/663547248.db2.gz LVAXVGMENJGWOQ-NXEZZACHSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998674042 663547302 /nfs/dbraw/zinc/54/73/02/663547302.db2.gz LVAXVGMENJGWOQ-ZJUUUORDSA-N 1 1 311.342 -2.675 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000998674042 663547308 /nfs/dbraw/zinc/54/73/08/663547308.db2.gz LVAXVGMENJGWOQ-ZJUUUORDSA-N 1 1 311.342 -2.675 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000998678137 663548141 /nfs/dbraw/zinc/54/81/41/663548141.db2.gz LPHRINSTYJZJAL-ONGXEEELSA-N 1 1 309.370 -1.663 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998678934 663548221 /nfs/dbraw/zinc/54/82/21/663548221.db2.gz ATUGHJDSKZFGMH-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3nnnn3C)C2)C1 ZINC000998687614 663549170 /nfs/dbraw/zinc/54/91/70/663549170.db2.gz GHZCOKRNHHCSJP-UHFFFAOYSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000998684625 663549293 /nfs/dbraw/zinc/54/92/93/663549293.db2.gz TZTVYWOFLUKUDK-NHCYSSNCSA-N 1 1 323.397 -1.275 20 0 DAADMO O=C([C@H]1CCc2nnnn2CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032639536 663550778 /nfs/dbraw/zinc/55/07/78/663550778.db2.gz GBUFYBLDVYDVJR-SRVKXCTJSA-N 1 1 306.370 -1.097 20 0 DAADMO O=C([C@H]1CCc2nnnn2CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032639536 663550782 /nfs/dbraw/zinc/55/07/82/663550782.db2.gz GBUFYBLDVYDVJR-SRVKXCTJSA-N 1 1 306.370 -1.097 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998813667 663552742 /nfs/dbraw/zinc/55/27/42/663552742.db2.gz XGUVFODTTKDBCA-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000998965446 663553805 /nfs/dbraw/zinc/55/38/05/663553805.db2.gz RGIVLWXPDWOCTN-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998976816 663553944 /nfs/dbraw/zinc/55/39/44/663553944.db2.gz RSVGEGCPCUGLDN-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000998965439 663554158 /nfs/dbraw/zinc/55/41/58/663554158.db2.gz RGIVLWXPDWOCTN-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)NC1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999027442 663554583 /nfs/dbraw/zinc/55/45/83/663554583.db2.gz MPRCAAOKYHAXJA-KPPDAEKUSA-N 1 1 321.385 -1.185 20 0 DAADMO CN(C(=O)[C@@]1(C)CNC(=O)C1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999166719 663556532 /nfs/dbraw/zinc/55/65/32/663556532.db2.gz YENLIBOOMMQECT-RPFQZYLTSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999165664 663556559 /nfs/dbraw/zinc/55/65/59/663556559.db2.gz UTEKOMYCLOPHLE-SECBINFHSA-N 1 1 306.334 -2.023 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001032654436 663557197 /nfs/dbraw/zinc/55/71/97/663557197.db2.gz ZYKNUALWKVSBRF-RCWTZXSCSA-N 1 1 310.354 -1.096 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032653994 663557421 /nfs/dbraw/zinc/55/74/21/663557421.db2.gz LPIGQNFCWOTRCR-BJDJZHNGSA-N 1 1 322.365 -1.094 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCC(=O)N3)C2)C1 ZINC000999187273 663557500 /nfs/dbraw/zinc/55/75/00/663557500.db2.gz PVOHHZZUYZUAIY-BMIGLBTASA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032684294 663558169 /nfs/dbraw/zinc/55/81/69/663558169.db2.gz JUBDNJRTVFTJRB-MELADBBJSA-N 1 1 322.409 -1.118 20 0 DAADMO O=C(CCN1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032684294 663558170 /nfs/dbraw/zinc/55/81/70/663558170.db2.gz JUBDNJRTVFTJRB-MELADBBJSA-N 1 1 322.409 -1.118 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032679541 663558272 /nfs/dbraw/zinc/55/82/72/663558272.db2.gz UMPVCHYAZYJEJL-SSOKKCIESA-N 1 1 322.365 -1.358 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032683195 663558505 /nfs/dbraw/zinc/55/85/05/663558505.db2.gz YCVDAHMZJGUDIE-ATZCPNFKSA-N 1 1 318.337 -1.481 20 0 DAADMO Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)n1 ZINC001032683195 663558508 /nfs/dbraw/zinc/55/85/08/663558508.db2.gz YCVDAHMZJGUDIE-ATZCPNFKSA-N 1 1 318.337 -1.481 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032686726 663558658 /nfs/dbraw/zinc/55/86/58/663558658.db2.gz GILAKQKHPCHJHQ-GUBZILKMSA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032686726 663558659 /nfs/dbraw/zinc/55/86/59/663558659.db2.gz GILAKQKHPCHJHQ-GUBZILKMSA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032686528 663558668 /nfs/dbraw/zinc/55/86/68/663558668.db2.gz WWIVRYRVSALCTB-RYUDHWBXSA-N 1 1 322.365 -1.406 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000999251808 663558919 /nfs/dbraw/zinc/55/89/19/663558919.db2.gz YDJMSUAECSTXNS-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140829 663559613 /nfs/dbraw/zinc/55/96/13/663559613.db2.gz KRNAJXNPSHFFHS-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001016140829 663559616 /nfs/dbraw/zinc/55/96/16/663559616.db2.gz KRNAJXNPSHFFHS-KOLCDFICSA-N 1 1 324.385 -1.785 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999321375 663559706 /nfs/dbraw/zinc/55/97/06/663559706.db2.gz AWSXDCPOPQVISS-AMDVSUOASA-N 1 1 308.346 -2.030 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999801707 663565518 /nfs/dbraw/zinc/56/55/18/663565518.db2.gz YOQUPULFVUWGIZ-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@]3(C)CCNC3=O)C2)C1 ZINC000999801707 663565520 /nfs/dbraw/zinc/56/55/20/663565520.db2.gz YOQUPULFVUWGIZ-IAQYHMDHSA-N 1 1 324.381 -1.830 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000999802854 663565581 /nfs/dbraw/zinc/56/55/81/663565581.db2.gz HWXHWBPIOYKBKA-SDDRHHMPSA-N 1 1 324.381 -1.560 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC000999811958 663566039 /nfs/dbraw/zinc/56/60/39/663566039.db2.gz BYJPIJUZIAFKMU-ADEWGFFLSA-N 1 1 324.381 -1.702 20 0 DAADMO CN(C(=O)CN1C(=O)CNC1=O)C1CC([NH2+]Cc2cnon2)C1 ZINC000999806137 663566191 /nfs/dbraw/zinc/56/61/91/663566191.db2.gz YEMASKNCXIMMBZ-UHFFFAOYSA-N 1 1 322.325 -1.300 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999846892 663566944 /nfs/dbraw/zinc/56/69/44/663566944.db2.gz HJOUKCKLVMDVMM-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999835402 663567086 /nfs/dbraw/zinc/56/70/86/663567086.db2.gz AYWQQMXCPFINAL-GXSJLCMTSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CN2CN=NC2=O)C1 ZINC000999836069 663567112 /nfs/dbraw/zinc/56/71/12/663567112.db2.gz GBLPYTLLULDRBG-JTQLQIEISA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999852351 663567165 /nfs/dbraw/zinc/56/71/65/663567165.db2.gz NZTFQDKNRCYXEK-JLLWLGSASA-N 1 1 308.382 -1.081 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000999886066 663567405 /nfs/dbraw/zinc/56/74/05/663567405.db2.gz COKLNSBXZGPMGL-VHSXEESVSA-N 1 1 322.373 -1.686 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000999886072 663567502 /nfs/dbraw/zinc/56/75/02/663567502.db2.gz COKLNSBXZGPMGL-ZJUUUORDSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC000999887866 663567610 /nfs/dbraw/zinc/56/76/10/663567610.db2.gz TWPQVSRLTXCYCL-MWLCHTKSSA-N 1 1 307.358 -1.802 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC000999886055 663567726 /nfs/dbraw/zinc/56/77/26/663567726.db2.gz COKLNSBXZGPMGL-NXEZZACHSA-N 1 1 322.373 -1.686 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000999889507 663567759 /nfs/dbraw/zinc/56/77/59/663567759.db2.gz WGEQXTRAYYSGKM-KOLCDFICSA-N 1 1 319.365 -1.092 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)nn1 ZINC000999889742 663567772 /nfs/dbraw/zinc/56/77/72/663567772.db2.gz KIVUIFANGJDOSC-JQWIXIFHSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC000999886925 663567783 /nfs/dbraw/zinc/56/77/83/663567783.db2.gz QOKPKTHXGHXBNW-JQWIXIFHSA-N 1 1 306.370 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCOCC2)C1 ZINC000999887119 663567790 /nfs/dbraw/zinc/56/77/90/663567790.db2.gz DUOXYBRYJGFBBI-OCCSQVGLSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000999889510 663567806 /nfs/dbraw/zinc/56/78/06/663567806.db2.gz WGEQXTRAYYSGKM-MWLCHTKSSA-N 1 1 319.365 -1.092 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC000999866020 663568038 /nfs/dbraw/zinc/56/80/38/663568038.db2.gz WJYFOSXDIJUHTP-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000999876357 663568157 /nfs/dbraw/zinc/56/81/57/663568157.db2.gz HENKYRNFJHGOMO-PWSUYJOCSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000999869926 663568213 /nfs/dbraw/zinc/56/82/13/663568213.db2.gz JMRKYRGNBPUOMG-GXSJLCMTSA-N 1 1 309.370 -1.663 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCOCC3)C2)C1 ZINC000999865078 663568236 /nfs/dbraw/zinc/56/82/36/663568236.db2.gz SDNZAIJSOCABCE-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)Cn3cncn3)C2)C1 ZINC000999873019 663568285 /nfs/dbraw/zinc/56/82/85/663568285.db2.gz VERMZNLPDQDXKE-NSHDSACASA-N 1 1 306.370 -1.053 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000999865052 663568342 /nfs/dbraw/zinc/56/83/42/663568342.db2.gz RUPGYWJDCMPATN-JSGCOSHPSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CS(C)(=O)=O)C1 ZINC000999880970 663568927 /nfs/dbraw/zinc/56/89/27/663568927.db2.gz LLKNQDIJJBCUJI-GXSJLCMTSA-N 1 1 317.411 -1.444 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999878284 663568985 /nfs/dbraw/zinc/56/89/85/663568985.db2.gz BSNNBGYXIAGCIZ-ZJUUUORDSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CCn2cnnn2)C1 ZINC000999883736 663569092 /nfs/dbraw/zinc/56/90/92/663569092.db2.gz KOPWYWFLHRSTBA-CMPLNLGQSA-N 1 1 321.385 -1.412 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000999923991 663570166 /nfs/dbraw/zinc/57/01/66/663570166.db2.gz VUODNEUUXLBLCP-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3nnn(C)n3)C2)nn1 ZINC000999923334 663570215 /nfs/dbraw/zinc/57/02/15/663570215.db2.gz RGKHEDIBHHPSSK-SECBINFHSA-N 1 1 305.346 -1.267 20 0 DAADMO CC(=O)NCc1cn([C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941391 663571248 /nfs/dbraw/zinc/57/12/48/663571248.db2.gz ZVUAAQBEPFSVBX-NWDGAFQWSA-N 1 1 320.353 -1.034 20 0 DAADMO CC(=O)NCc1cn([C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941391 663571251 /nfs/dbraw/zinc/57/12/51/663571251.db2.gz ZVUAAQBEPFSVBX-NWDGAFQWSA-N 1 1 320.353 -1.034 20 0 DAADMO CC(=O)NCc1cn([C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941390 663571612 /nfs/dbraw/zinc/57/16/12/663571612.db2.gz ZVUAAQBEPFSVBX-NEPJUHHUSA-N 1 1 320.353 -1.034 20 0 DAADMO CC(=O)NCc1cn([C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nn1 ZINC000999941390 663571616 /nfs/dbraw/zinc/57/16/16/663571616.db2.gz ZVUAAQBEPFSVBX-NEPJUHHUSA-N 1 1 320.353 -1.034 20 0 DAADMO Cc1ccn(CC(=O)NC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC000999968083 663572235 /nfs/dbraw/zinc/57/22/35/663572235.db2.gz COMNAMITXBNFCW-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO Cc1ccn(CC(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC000999968083 663572241 /nfs/dbraw/zinc/57/22/41/663572241.db2.gz COMNAMITXBNFCW-ZDUSSCGKSA-N 1 1 321.381 -1.151 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CCNC1=O ZINC001000012904 663572295 /nfs/dbraw/zinc/57/22/95/663572295.db2.gz FSNWUTWFQLOSFT-NEPJUHHUSA-N 1 1 322.369 -1.731 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCO)C2)nn1)[C@H]1CNC(=O)N1 ZINC001000018615 663572470 /nfs/dbraw/zinc/57/24/70/663572470.db2.gz YONHMQSJXIGUNX-WDEREUQCSA-N 1 1 323.357 -2.185 20 0 DAADMO Cn1nncc1C(=O)NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1 ZINC000999985158 663572765 /nfs/dbraw/zinc/57/27/65/663572765.db2.gz OFNKFDBFXLBPRE-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000047795 663573193 /nfs/dbraw/zinc/57/31/93/663573193.db2.gz IKXRRDUXOBOPOC-VHSXEESVSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)c1cn[nH]n1 ZINC001000002708 663573481 /nfs/dbraw/zinc/57/34/81/663573481.db2.gz LBUUEXCEGSYGFB-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)c1cnn[nH]1 ZINC001000002708 663573484 /nfs/dbraw/zinc/57/34/84/663573484.db2.gz LBUUEXCEGSYGFB-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)c1cnn[nH]1 ZINC001000002708 663573491 /nfs/dbraw/zinc/57/34/91/663573491.db2.gz LBUUEXCEGSYGFB-NSHDSACASA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCO)C2)nn1)c1cnon1 ZINC001000029360 663573965 /nfs/dbraw/zinc/57/39/65/663573965.db2.gz MKVAYLAPUXJAGY-SNVBAGLBSA-N 1 1 307.314 -1.170 20 0 DAADMO Cn1nc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)ccc1=O ZINC001000085890 663574036 /nfs/dbraw/zinc/57/40/36/663574036.db2.gz FPHQORCPOJKQDZ-LBPRGKRZSA-N 1 1 319.365 -1.185 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1)c1nnc[nH]1 ZINC001000031703 663574101 /nfs/dbraw/zinc/57/41/01/663574101.db2.gz ZPZIKZUMHTXAOW-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCCO)C2)nn1)c1ncn[nH]1 ZINC001000031703 663574106 /nfs/dbraw/zinc/57/41/06/663574106.db2.gz ZPZIKZUMHTXAOW-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1)c1ncn[nH]1 ZINC001000031703 663574110 /nfs/dbraw/zinc/57/41/10/663574110.db2.gz ZPZIKZUMHTXAOW-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@@H+](CCCO)C2)nn1)c1nc[nH]n1 ZINC001000031703 663574112 /nfs/dbraw/zinc/57/41/12/663574112.db2.gz ZPZIKZUMHTXAOW-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO O=C(NCc1cn([C@@H]2CC[N@H+](CCCO)C2)nn1)c1nc[nH]n1 ZINC001000031703 663574115 /nfs/dbraw/zinc/57/41/15/663574115.db2.gz ZPZIKZUMHTXAOW-LLVKDONJSA-N 1 1 320.357 -1.045 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001000042170 663574259 /nfs/dbraw/zinc/57/42/59/663574259.db2.gz CKABYIBEUVUUNX-KOLCDFICSA-N 1 1 307.358 -1.423 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001000026698 663574301 /nfs/dbraw/zinc/57/43/01/663574301.db2.gz BPNPLUKHARIBDB-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026698 663574302 /nfs/dbraw/zinc/57/43/02/663574302.db2.gz BPNPLUKHARIBDB-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001000026698 663574303 /nfs/dbraw/zinc/57/43/03/663574303.db2.gz BPNPLUKHARIBDB-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026698 663574304 /nfs/dbraw/zinc/57/43/04/663574304.db2.gz BPNPLUKHARIBDB-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001000026698 663574305 /nfs/dbraw/zinc/57/43/05/663574305.db2.gz BPNPLUKHARIBDB-MWLCHTKSSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000041668 663574446 /nfs/dbraw/zinc/57/44/46/663574446.db2.gz BKIMVBFECYXNSW-NXEZZACHSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000041672 663574592 /nfs/dbraw/zinc/57/45/92/663574592.db2.gz BKIMVBFECYXNSW-VHSXEESVSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1nc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccc1=O ZINC001000091455 663575147 /nfs/dbraw/zinc/57/51/47/663575147.db2.gz PRAZXQOPKIFQNV-SNVBAGLBSA-N 1 1 319.365 -1.327 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000114542 663575625 /nfs/dbraw/zinc/57/56/25/663575625.db2.gz CXCIJZZNRIVSND-PWSUYJOCSA-N 1 1 306.370 -1.197 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2CC1 ZINC000946526837 663575669 /nfs/dbraw/zinc/57/56/69/663575669.db2.gz NZQSKNYZAGMSDH-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001032731049 663576929 /nfs/dbraw/zinc/57/69/29/663576929.db2.gz XZUBCXAEYFRFJU-GUBZILKMSA-N 1 1 318.337 -1.303 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032740899 663578976 /nfs/dbraw/zinc/57/89/76/663578976.db2.gz NGBPJWALEQYFMX-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001032740899 663578978 /nfs/dbraw/zinc/57/89/78/663578978.db2.gz NGBPJWALEQYFMX-XWLWVQCSSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032740898 663579379 /nfs/dbraw/zinc/57/93/79/663579379.db2.gz NGBPJWALEQYFMX-NAKRPEOUSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032740898 663579381 /nfs/dbraw/zinc/57/93/81/663579381.db2.gz NGBPJWALEQYFMX-NAKRPEOUSA-N 1 1 320.349 -1.645 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001000172448 663579557 /nfs/dbraw/zinc/57/95/57/663579557.db2.gz UYDGKJAFFMHNMH-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)Cc3nc[nH]n3)C2)C1 ZINC001000202673 663582069 /nfs/dbraw/zinc/58/20/69/663582069.db2.gz WGEVAJSRBNJAES-LLVKDONJSA-N 1 1 322.369 -1.605 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)c(=O)n1C ZINC001032760325 663583390 /nfs/dbraw/zinc/58/33/90/663583390.db2.gz WDRSMEHQTDEHBN-RYUDHWBXSA-N 1 1 309.370 -1.442 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032768345 663584031 /nfs/dbraw/zinc/58/40/31/663584031.db2.gz GVBRVMYFNGJPFN-SRVKXCTJSA-N 1 1 304.354 -1.158 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032769393 663584122 /nfs/dbraw/zinc/58/41/22/663584122.db2.gz IFIARSLXAVPECV-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032769393 663584127 /nfs/dbraw/zinc/58/41/27/663584127.db2.gz IFIARSLXAVPECV-RYUDHWBXSA-N 1 1 302.342 -1.145 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)CN(C)C1=O ZINC001032770971 663584169 /nfs/dbraw/zinc/58/41/69/663584169.db2.gz KPGDCJFOMTWZQU-QWRGUYRKSA-N 1 1 310.354 -1.188 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCNC2=O)ccc1=O ZINC001032767622 663584181 /nfs/dbraw/zinc/58/41/81/663584181.db2.gz HFIYMBGCNLFDDP-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCNC2=O)ccc1=O ZINC001032767622 663584182 /nfs/dbraw/zinc/58/41/82/663584182.db2.gz HFIYMBGCNLFDDP-NHCYSSNCSA-N 1 1 317.349 -1.433 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032770741 663584200 /nfs/dbraw/zinc/58/42/00/663584200.db2.gz CYOUPSIBLNXPRK-GUBZILKMSA-N 1 1 321.337 -2.288 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032770741 663584201 /nfs/dbraw/zinc/58/42/01/663584201.db2.gz CYOUPSIBLNXPRK-GUBZILKMSA-N 1 1 321.337 -2.288 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCNC2=O)ccc1=O ZINC001032767621 663584292 /nfs/dbraw/zinc/58/42/92/663584292.db2.gz HFIYMBGCNLFDDP-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO Cn1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCNC2=O)ccc1=O ZINC001032767621 663584296 /nfs/dbraw/zinc/58/42/96/663584296.db2.gz HFIYMBGCNLFDDP-JBLDHEPKSA-N 1 1 317.349 -1.433 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016198855 663585563 /nfs/dbraw/zinc/58/55/63/663585563.db2.gz BBRAMEQIMCJSDF-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC001000331102 663585582 /nfs/dbraw/zinc/58/55/82/663585582.db2.gz UCOZGGJCVIWBQW-WPRPVWTQSA-N 1 1 322.325 -1.252 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032788414 663586293 /nfs/dbraw/zinc/58/62/93/663586293.db2.gz CAZAKBFOTFTWKX-GARJFASQSA-N 1 1 303.384 -1.654 20 0 DAADMO COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001032789066 663586321 /nfs/dbraw/zinc/58/63/21/663586321.db2.gz SSJQLKJDIOZTKW-GARJFASQSA-N 1 1 303.384 -1.390 20 0 DAADMO COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001032789066 663586322 /nfs/dbraw/zinc/58/63/22/663586322.db2.gz SSJQLKJDIOZTKW-GARJFASQSA-N 1 1 303.384 -1.390 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001000455629 663586587 /nfs/dbraw/zinc/58/65/87/663586587.db2.gz IDCDQVQROXKPHX-MNOVXSKESA-N 1 1 321.385 -1.041 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccnnc3)C2)C1 ZINC001000466746 663586693 /nfs/dbraw/zinc/58/66/93/663586693.db2.gz PWJKASCVJDCDTG-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)c3ccnnc3)C2)C1 ZINC001000466746 663586695 /nfs/dbraw/zinc/58/66/95/663586695.db2.gz PWJKASCVJDCDTG-LBPRGKRZSA-N 1 1 305.338 -1.252 20 0 DAADMO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(=O)NCC12COC2 ZINC000921794987 663588010 /nfs/dbraw/zinc/58/80/10/663588010.db2.gz SOXPECJCRFYPOM-VXGBXAGGSA-N 1 1 309.366 -1.033 20 0 DAADMO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(=O)NCC12COC2 ZINC000921794984 663588166 /nfs/dbraw/zinc/58/81/66/663588166.db2.gz SOXPECJCRFYPOM-NEPJUHHUSA-N 1 1 309.366 -1.033 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)C1 ZINC001032793309 663589112 /nfs/dbraw/zinc/58/91/12/663589112.db2.gz ZQVOZOSKSXALEC-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC(=O)NC)C1 ZINC001032793309 663589116 /nfs/dbraw/zinc/58/91/16/663589116.db2.gz ZQVOZOSKSXALEC-AVGNSLFASA-N 1 1 310.398 -1.262 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000594614 663589548 /nfs/dbraw/zinc/58/95/48/663589548.db2.gz SWKAVKZQZQTTRB-ZDUSSCGKSA-N 1 1 310.398 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C)CC1 ZINC001000594614 663589553 /nfs/dbraw/zinc/58/95/53/663589553.db2.gz SWKAVKZQZQTTRB-ZDUSSCGKSA-N 1 1 310.398 -1.189 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2=CC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589775 /nfs/dbraw/zinc/58/97/75/663589775.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 1 1 322.409 -1.046 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2=CC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC001000550163 663589776 /nfs/dbraw/zinc/58/97/76/663589776.db2.gz IKHFIXHHCYIFQS-KBPBESRZSA-N 1 1 322.409 -1.046 20 0 DAADMO COCCn1cc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)nn1 ZINC001000663361 663590116 /nfs/dbraw/zinc/59/01/16/663590116.db2.gz DPUWFYKTVZLEJD-UHFFFAOYSA-N 1 1 322.369 -1.228 20 0 DAADMO COCCn1cc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)nn1 ZINC001000663361 663590119 /nfs/dbraw/zinc/59/01/19/663590119.db2.gz DPUWFYKTVZLEJD-UHFFFAOYSA-N 1 1 322.369 -1.228 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)C2CN(C(C)=O)C2)CC1 ZINC001000610001 663590141 /nfs/dbraw/zinc/59/01/41/663590141.db2.gz RTYHYCVWCGTRAZ-UHFFFAOYSA-N 1 1 308.382 -1.041 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)C2CN(C(C)=O)C2)CC1 ZINC001000610001 663590143 /nfs/dbraw/zinc/59/01/43/663590143.db2.gz RTYHYCVWCGTRAZ-UHFFFAOYSA-N 1 1 308.382 -1.041 20 0 DAADMO NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001000685021 663590928 /nfs/dbraw/zinc/59/09/28/663590928.db2.gz ASHVZNZFGWEIGY-ZJUUUORDSA-N 1 1 306.370 -1.025 20 0 DAADMO NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001000685021 663590931 /nfs/dbraw/zinc/59/09/31/663590931.db2.gz ASHVZNZFGWEIGY-ZJUUUORDSA-N 1 1 306.370 -1.025 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3COCCO3)C2)C1 ZINC001001019103 663593547 /nfs/dbraw/zinc/59/35/47/663593547.db2.gz YHUXBSSUUCSVSM-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3COCCO3)C2)C1 ZINC001001019101 663593689 /nfs/dbraw/zinc/59/36/89/663593689.db2.gz YHUXBSSUUCSVSM-OLZOCXBDSA-N 1 1 311.382 -1.072 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)nn1 ZINC001032802002 663593790 /nfs/dbraw/zinc/59/37/90/663593790.db2.gz MHIZLDOPZDELLE-QWRGUYRKSA-N 1 1 322.369 -1.743 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)nn1 ZINC001032802002 663593791 /nfs/dbraw/zinc/59/37/91/663593791.db2.gz MHIZLDOPZDELLE-QWRGUYRKSA-N 1 1 322.369 -1.743 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC001001041192 663593795 /nfs/dbraw/zinc/59/37/95/663593795.db2.gz SWOGLAMGSUFSKY-RYUDHWBXSA-N 1 1 306.366 -1.241 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC001001041192 663593796 /nfs/dbraw/zinc/59/37/96/663593796.db2.gz SWOGLAMGSUFSKY-RYUDHWBXSA-N 1 1 306.366 -1.241 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001038810 663594250 /nfs/dbraw/zinc/59/42/50/663594250.db2.gz IWJORABDUSNJDY-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001038810 663594255 /nfs/dbraw/zinc/59/42/55/663594255.db2.gz IWJORABDUSNJDY-GFCCVEGCSA-N 1 1 308.382 -1.041 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001056390 663594366 /nfs/dbraw/zinc/59/43/66/663594366.db2.gz RGUQZOAFHVXXJZ-SNVBAGLBSA-N 1 1 307.358 -1.164 20 0 DAADMO Cn1nnc(C(=O)NCC2=CC[N@H+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC001001056860 663594369 /nfs/dbraw/zinc/59/43/69/663594369.db2.gz WODCCBLWEQFURT-LLVKDONJSA-N 1 1 319.369 -1.197 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001038811 663594586 /nfs/dbraw/zinc/59/45/86/663594586.db2.gz IWJORABDUSNJDY-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001038811 663594590 /nfs/dbraw/zinc/59/45/90/663594590.db2.gz IWJORABDUSNJDY-LBPRGKRZSA-N 1 1 308.382 -1.041 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC001001107992 663595043 /nfs/dbraw/zinc/59/50/43/663595043.db2.gz XTZPKSFHZUODAY-NWDGAFQWSA-N 1 1 321.381 -1.353 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001104709 663595101 /nfs/dbraw/zinc/59/51/01/663595101.db2.gz IKFQGZTWHNJHIG-WDEREUQCSA-N 1 1 309.370 -1.320 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CNC(=O)N3)CC2)C1=O ZINC001001107995 663595125 /nfs/dbraw/zinc/59/51/25/663595125.db2.gz XTZPKSFHZUODAY-RYUDHWBXSA-N 1 1 321.381 -1.353 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802607 663595390 /nfs/dbraw/zinc/59/53/90/663595390.db2.gz GPJIBPBJPWYWBA-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(CC(N)=O)nn1 ZINC001032802607 663595392 /nfs/dbraw/zinc/59/53/92/663595392.db2.gz GPJIBPBJPWYWBA-VWYCJHECSA-N 1 1 322.369 -1.303 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114373 663595729 /nfs/dbraw/zinc/59/57/29/663595729.db2.gz IJPINUYNDLOLFP-RYUDHWBXSA-N 1 1 321.381 -1.305 20 0 DAADMO O=C(NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114579 663596106 /nfs/dbraw/zinc/59/61/06/663596106.db2.gz JGERCQKCHHHKHU-QWRGUYRKSA-N 1 1 307.354 -1.695 20 0 DAADMO O=C(NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001001114579 663596109 /nfs/dbraw/zinc/59/61/09/663596109.db2.gz JGERCQKCHHHKHU-QWRGUYRKSA-N 1 1 307.354 -1.695 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001001155537 663596702 /nfs/dbraw/zinc/59/67/02/663596702.db2.gz BXYZPQXNZFSYBM-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001001155537 663596706 /nfs/dbraw/zinc/59/67/06/663596706.db2.gz BXYZPQXNZFSYBM-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141634 663596796 /nfs/dbraw/zinc/59/67/96/663596796.db2.gz KJOPPOSLULCDPF-ZMLRMANQSA-N 1 1 324.381 -1.359 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001141634 663596798 /nfs/dbraw/zinc/59/67/98/663596798.db2.gz KJOPPOSLULCDPF-ZMLRMANQSA-N 1 1 324.381 -1.359 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC001001218047 663597185 /nfs/dbraw/zinc/59/71/85/663597185.db2.gz JDPSGWAHIFLPOX-VXGBXAGGSA-N 1 1 323.397 -1.321 20 0 DAADMO COCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001216221 663597255 /nfs/dbraw/zinc/59/72/55/663597255.db2.gz LNLCXYUMACKXMD-NSHDSACASA-N 1 1 310.354 -1.021 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001001217306 663597453 /nfs/dbraw/zinc/59/74/53/663597453.db2.gz BFIIVUXMIOKBEW-SNVBAGLBSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001001223280 663597522 /nfs/dbraw/zinc/59/75/22/663597522.db2.gz RVJJRTLXSCGQIQ-QWRGUYRKSA-N 1 1 309.370 -1.663 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001001207590 663597932 /nfs/dbraw/zinc/59/79/32/663597932.db2.gz MGVSJXFGIPDPSI-KGLIPLIRSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001001202470 663598000 /nfs/dbraw/zinc/59/80/00/663598000.db2.gz CYCPMPYORXUXRP-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001001206136 663598117 /nfs/dbraw/zinc/59/81/17/663598117.db2.gz CYCPMPYORXUXRP-RYUDHWBXSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001001207708 663598135 /nfs/dbraw/zinc/59/81/35/663598135.db2.gz OMXGNBHYAXQEMC-MNOVXSKESA-N 1 1 310.354 -1.236 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001001207592 663598183 /nfs/dbraw/zinc/59/81/83/663598183.db2.gz MGVSJXFGIPDPSI-UONOGXRCSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cnnn2)C1 ZINC001001203863 663598374 /nfs/dbraw/zinc/59/83/74/663598374.db2.gz LWUOLPLYFOUZSY-LLVKDONJSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cccn3)C2)C1 ZINC001001296995 663598640 /nfs/dbraw/zinc/59/86/40/663598640.db2.gz PIWHABNRHHBASQ-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cn3cccn3)C2)C1 ZINC001001296995 663598642 /nfs/dbraw/zinc/59/86/42/663598642.db2.gz PIWHABNRHHBASQ-CYBMUJFWSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cccn3)C2)C1 ZINC001001296996 663598792 /nfs/dbraw/zinc/59/87/92/663598792.db2.gz PIWHABNRHHBASQ-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cn3cccn3)C2)C1 ZINC001001296996 663598793 /nfs/dbraw/zinc/59/87/93/663598793.db2.gz PIWHABNRHHBASQ-ZDUSSCGKSA-N 1 1 321.381 -1.212 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001211913 663598942 /nfs/dbraw/zinc/59/89/42/663598942.db2.gz AYLNBYMRUBKWQW-VIFPVBQESA-N 1 1 309.326 -2.182 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001211913 663598945 /nfs/dbraw/zinc/59/89/45/663598945.db2.gz AYLNBYMRUBKWQW-VIFPVBQESA-N 1 1 309.326 -2.182 20 0 DAADMO CN1CC[C@@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)S1(=O)=O ZINC001001254195 663598996 /nfs/dbraw/zinc/59/89/96/663598996.db2.gz JEGVUCPHDPATRC-LBPRGKRZSA-N 1 1 317.411 -1.239 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001297042 663599033 /nfs/dbraw/zinc/59/90/33/663599033.db2.gz PZHMFJOWZIVCCO-QWHCGFSZSA-N 1 1 313.398 -1.092 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001297042 663599035 /nfs/dbraw/zinc/59/90/35/663599035.db2.gz PZHMFJOWZIVCCO-QWHCGFSZSA-N 1 1 313.398 -1.092 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ncccn3)C2)C1 ZINC001001298545 663599399 /nfs/dbraw/zinc/59/93/99/663599399.db2.gz ZQGJIUUSTVDCTK-GFCCVEGCSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ncccn3)C2)C1 ZINC001001298545 663599400 /nfs/dbraw/zinc/59/94/00/663599400.db2.gz ZQGJIUUSTVDCTK-GFCCVEGCSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001001295041 663599513 /nfs/dbraw/zinc/59/95/13/663599513.db2.gz DLUKZIRXWHLEGQ-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1nncc1C(=O)N1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001001295041 663599519 /nfs/dbraw/zinc/59/95/19/663599519.db2.gz DLUKZIRXWHLEGQ-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001001295369 663599678 /nfs/dbraw/zinc/59/96/78/663599678.db2.gz FEUQHKVYIMKUBI-NSHDSACASA-N 1 1 309.326 -1.412 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cnon3)C2)C1 ZINC001001295369 663599684 /nfs/dbraw/zinc/59/96/84/663599684.db2.gz FEUQHKVYIMKUBI-NSHDSACASA-N 1 1 309.326 -1.412 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001295062 663599736 /nfs/dbraw/zinc/59/97/36/663599736.db2.gz DQCHROGTKXTEIK-RYUDHWBXSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001001295062 663599737 /nfs/dbraw/zinc/59/97/37/663599737.db2.gz DQCHROGTKXTEIK-RYUDHWBXSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001001298472 663599820 /nfs/dbraw/zinc/59/98/20/663599820.db2.gz YYXYJXCWSNPOHT-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001001298472 663599825 /nfs/dbraw/zinc/59/98/25/663599825.db2.gz YYXYJXCWSNPOHT-GFCCVEGCSA-N 1 1 307.354 -1.072 20 0 DAADMO Cn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001001297965 663600124 /nfs/dbraw/zinc/60/01/24/663600124.db2.gz VNESNHCYCJQVPQ-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1nccc1C(=O)N1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001001297965 663600128 /nfs/dbraw/zinc/60/01/28/663600128.db2.gz VNESNHCYCJQVPQ-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001001298476 663600143 /nfs/dbraw/zinc/60/01/43/663600143.db2.gz YYXYJXCWSNPOHT-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001001298476 663600144 /nfs/dbraw/zinc/60/01/44/663600144.db2.gz YYXYJXCWSNPOHT-LBPRGKRZSA-N 1 1 307.354 -1.072 20 0 DAADMO CN1CCO[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001001297865 663600170 /nfs/dbraw/zinc/60/01/70/663600170.db2.gz URJPZGFVOKJBLH-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001001297470 663600188 /nfs/dbraw/zinc/60/01/88/663600188.db2.gz SIXVDDCZWMKESL-LLVKDONJSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001001297470 663600192 /nfs/dbraw/zinc/60/01/92/663600192.db2.gz SIXVDDCZWMKESL-LLVKDONJSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ccncn3)C2)C1 ZINC001001296212 663600230 /nfs/dbraw/zinc/60/02/30/663600230.db2.gz LCAMXDPPYUZOHK-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3ccncn3)C2)C1 ZINC001001296212 663600234 /nfs/dbraw/zinc/60/02/34/663600234.db2.gz LCAMXDPPYUZOHK-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO Cn1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001001314082 663601012 /nfs/dbraw/zinc/60/10/12/663601012.db2.gz YMRPPOGXIYWEIN-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1ccc(C(=O)N2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001001314082 663601017 /nfs/dbraw/zinc/60/10/17/663601017.db2.gz YMRPPOGXIYWEIN-CYBMUJFWSA-N 1 1 321.381 -1.061 20 0 DAADMO Cn1nc(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)ccc1=O ZINC001001429179 663601441 /nfs/dbraw/zinc/60/14/41/663601441.db2.gz HSKLQGCPWOXAON-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO Cn1nc(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)ccc1=O ZINC001001429179 663601447 /nfs/dbraw/zinc/60/14/47/663601447.db2.gz HSKLQGCPWOXAON-UHFFFAOYSA-N 1 1 305.338 -1.373 20 0 DAADMO NC(=O)c1nccnc1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001430109 663601667 /nfs/dbraw/zinc/60/16/67/663601667.db2.gz OWXATEYQUQAFSA-UHFFFAOYSA-N 1 1 305.338 -1.070 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CNC(=O)c2ccc(=O)n(C)n2)CC1 ZINC001001429968 663601678 /nfs/dbraw/zinc/60/16/78/663601678.db2.gz MBXYAVVTDBBNNY-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc(=O)n(C)n2)CC1 ZINC001001429968 663601681 /nfs/dbraw/zinc/60/16/81/663601681.db2.gz MBXYAVVTDBBNNY-UHFFFAOYSA-N 1 1 319.365 -1.112 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC2=CC[N@@H+](CCO)CC2)C1 ZINC001001417774 663601800 /nfs/dbraw/zinc/60/18/00/663601800.db2.gz HUGAEYOYIJWLBG-AWEZNQCLSA-N 1 1 311.382 -1.026 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001001494687 663602211 /nfs/dbraw/zinc/60/22/11/663602211.db2.gz WNTWEIJXTYLOTE-KBPBESRZSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001032814956 663602246 /nfs/dbraw/zinc/60/22/46/663602246.db2.gz RKUYHPFLQFTBHF-SRVKXCTJSA-N 1 1 317.349 -1.027 20 0 DAADMO O=C(Cn1ccnc1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001032814956 663602251 /nfs/dbraw/zinc/60/22/51/663602251.db2.gz RKUYHPFLQFTBHF-SRVKXCTJSA-N 1 1 317.349 -1.027 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001001440137 663602478 /nfs/dbraw/zinc/60/24/78/663602478.db2.gz WEGDMBWCYPAIKH-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001001440137 663602481 /nfs/dbraw/zinc/60/24/81/663602481.db2.gz WEGDMBWCYPAIKH-UHFFFAOYSA-N 1 1 305.338 -1.039 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001001459530 663602533 /nfs/dbraw/zinc/60/25/33/663602533.db2.gz SQVMZGFVPHAKQX-AWEZNQCLSA-N 1 1 311.382 -1.026 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001477253 663603074 /nfs/dbraw/zinc/60/30/74/663603074.db2.gz RDNDWGFLVZELFF-SNVBAGLBSA-N 1 1 321.381 -1.041 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001001477253 663603077 /nfs/dbraw/zinc/60/30/77/663603077.db2.gz RDNDWGFLVZELFF-SNVBAGLBSA-N 1 1 321.381 -1.041 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cncnc3)C2)C1 ZINC001001533689 663603370 /nfs/dbraw/zinc/60/33/70/663603370.db2.gz NQCFUMJWAPQCHW-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cncnc3)C2)C1 ZINC001001533689 663603375 /nfs/dbraw/zinc/60/33/75/663603375.db2.gz NQCFUMJWAPQCHW-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cncnc3)C2)C1 ZINC001001533690 663603405 /nfs/dbraw/zinc/60/34/05/663603405.db2.gz NQCFUMJWAPQCHW-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cncnc3)C2)C1 ZINC001001533690 663603409 /nfs/dbraw/zinc/60/34/09/663603409.db2.gz NQCFUMJWAPQCHW-ZDUSSCGKSA-N 1 1 319.365 -1.005 20 0 DAADMO CC(=O)N1CC(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001001603838 663603975 /nfs/dbraw/zinc/60/39/75/663603975.db2.gz JJRSFMMRTJNCJA-ZDUSSCGKSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001001668736 663604748 /nfs/dbraw/zinc/60/47/48/663604748.db2.gz HWBQHSDEMBXQDF-WDEREUQCSA-N 1 1 310.354 -1.236 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001001689220 663605569 /nfs/dbraw/zinc/60/55/69/663605569.db2.gz XGPVYYQRBXJVOG-WDEREUQCSA-N 1 1 310.354 -1.379 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001001689219 663605802 /nfs/dbraw/zinc/60/58/02/663605802.db2.gz XGPVYYQRBXJVOG-QWRGUYRKSA-N 1 1 310.354 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001001774705 663608681 /nfs/dbraw/zinc/60/86/81/663608681.db2.gz ANMZQGFAWOPHSW-LLVKDONJSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3ncc[nH]3)C2)C1 ZINC001001774705 663608687 /nfs/dbraw/zinc/60/86/87/663608687.db2.gz ANMZQGFAWOPHSW-LLVKDONJSA-N 1 1 307.354 -1.072 20 0 DAADMO Cn1nncc1C[NH+]1CCC(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001782730 663609858 /nfs/dbraw/zinc/60/98/58/663609858.db2.gz PQJWQVROGZZZBM-LBPRGKRZSA-N 1 1 321.385 -1.175 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001001974837 663611477 /nfs/dbraw/zinc/61/14/77/663611477.db2.gz DDMWPRKNJIDKSY-CYBMUJFWSA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001001975905 663611565 /nfs/dbraw/zinc/61/15/65/663611565.db2.gz GXHXEXWFJJTVTJ-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001001977299 663611922 /nfs/dbraw/zinc/61/19/22/663611922.db2.gz MGVICGBEVGHNTO-UONOGXRCSA-N 1 1 324.425 -1.157 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001001998400 663612131 /nfs/dbraw/zinc/61/21/31/663612131.db2.gz MTFRHLDRGNYUNZ-GHMZBOCLSA-N 1 1 309.370 -1.806 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001001980644 663612264 /nfs/dbraw/zinc/61/22/64/663612264.db2.gz YBNBNFZPAGEMLQ-QWHCGFSZSA-N 1 1 311.382 -1.072 20 0 DAADMO Cn1cnc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001001977910 663612319 /nfs/dbraw/zinc/61/23/19/663612319.db2.gz NXYYDVVIVRXACH-NSHDSACASA-N 1 1 306.370 -1.045 20 0 DAADMO Cn1nnc(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001002003356 663612341 /nfs/dbraw/zinc/61/23/41/663612341.db2.gz YESNBUHTAYZILA-JTQLQIEISA-N 1 1 307.358 -1.650 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001001999816 663612344 /nfs/dbraw/zinc/61/23/44/663612344.db2.gz SDBDMTLMGGUAPO-UTUOFQBUSA-N 1 1 308.382 -1.366 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)CS(C)(=O)=O)C2)C1 ZINC001001980187 663612347 /nfs/dbraw/zinc/61/23/47/663612347.db2.gz WFLUFIPBTFEKLC-NSHDSACASA-N 1 1 317.411 -1.443 20 0 DAADMO CN1C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001001999083 663612383 /nfs/dbraw/zinc/61/23/83/663612383.db2.gz KCWJXCXTMMBUBQ-NWDGAFQWSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1C[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001001999084 663612439 /nfs/dbraw/zinc/61/24/39/663612439.db2.gz KCWJXCXTMMBUBQ-RYUDHWBXSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001002001474 663612443 /nfs/dbraw/zinc/61/24/43/663612443.db2.gz QGJZVWGFYWFRHG-STQMWFEESA-N 1 1 322.409 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001001998989 663612485 /nfs/dbraw/zinc/61/24/85/663612485.db2.gz JHELUNUMJXFRFW-NWDGAFQWSA-N 1 1 308.382 -1.351 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)CCn3cnnn3)C2)C1 ZINC001001993563 663612551 /nfs/dbraw/zinc/61/25/51/663612551.db2.gz GIGVFRSOLCUQKF-GFCCVEGCSA-N 1 1 321.385 -1.411 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001002283858 663613107 /nfs/dbraw/zinc/61/31/07/663613107.db2.gz KDAYFJCPOKWQNM-GFCCVEGCSA-N 1 1 322.369 -1.286 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001002283858 663613109 /nfs/dbraw/zinc/61/31/09/663613109.db2.gz KDAYFJCPOKWQNM-GFCCVEGCSA-N 1 1 322.369 -1.286 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC001002240435 663613280 /nfs/dbraw/zinc/61/32/80/663613280.db2.gz ZCIOVWZQNYGXMQ-JLLWLGSASA-N 1 1 323.397 -1.417 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)c3nnn(C)n3)C2)CC[N@H+]1C ZINC001002244925 663613469 /nfs/dbraw/zinc/61/34/69/663613469.db2.gz AGEXKQIXRSNQEP-MWLCHTKSSA-N 1 1 321.385 -1.262 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032824633 663614179 /nfs/dbraw/zinc/61/41/79/663614179.db2.gz GMMYCCPDWKGNPH-AEJSXWLSSA-N 1 1 308.338 -1.739 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCC(=O)N1 ZINC001032824633 663614182 /nfs/dbraw/zinc/61/41/82/663614182.db2.gz GMMYCCPDWKGNPH-AEJSXWLSSA-N 1 1 308.338 -1.739 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307031 663614792 /nfs/dbraw/zinc/61/47/92/663614792.db2.gz RRBDGYDIKKJFSH-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3nnnn3C)C2)C1 ZINC001016307031 663614797 /nfs/dbraw/zinc/61/47/97/663614797.db2.gz RRBDGYDIKKJFSH-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001002512078 663615864 /nfs/dbraw/zinc/61/58/64/663615864.db2.gz FNHDTVZFBFLODB-JTQLQIEISA-N 1 1 305.338 -1.180 20 0 DAADMO CN1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001002523356 663615892 /nfs/dbraw/zinc/61/58/92/663615892.db2.gz NMNZGHPZMBNCMA-OLZOCXBDSA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(NC1CC[NH+]([C@H]2CCNC2=O)CC1)[C@@H]1CCNC(=O)C1 ZINC001002556851 663616479 /nfs/dbraw/zinc/61/64/79/663616479.db2.gz NPFMHUMBKMAKPL-PWSUYJOCSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(CN1CN=NC1=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001002648676 663617390 /nfs/dbraw/zinc/61/73/90/663617390.db2.gz ONZIDECZDWLJMU-UHFFFAOYSA-N 1 1 322.369 -1.157 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001002641765 663617757 /nfs/dbraw/zinc/61/77/57/663617757.db2.gz HMBHNCPEKJGCPH-UHFFFAOYSA-N 1 1 310.358 -1.348 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032827404 663618164 /nfs/dbraw/zinc/61/81/64/663618164.db2.gz HUNCYUODOHCIBF-AXFHLTTASA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032827404 663618167 /nfs/dbraw/zinc/61/81/67/663618167.db2.gz HUNCYUODOHCIBF-AXFHLTTASA-N 1 1 322.365 -1.349 20 0 DAADMO Cn1cc(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)nn1 ZINC001002749332 663618708 /nfs/dbraw/zinc/61/87/08/663618708.db2.gz RDFDQHSQFYQMPG-NSHDSACASA-N 1 1 320.353 -1.186 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831590 663619626 /nfs/dbraw/zinc/61/96/26/663619626.db2.gz PYZWGQCSDQWQNM-CIUDSAMLSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831590 663619628 /nfs/dbraw/zinc/61/96/28/663619628.db2.gz PYZWGQCSDQWQNM-CIUDSAMLSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831591 663620061 /nfs/dbraw/zinc/62/00/61/663620061.db2.gz PYZWGQCSDQWQNM-XHNCKOQMSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032831591 663620065 /nfs/dbraw/zinc/62/00/65/663620065.db2.gz PYZWGQCSDQWQNM-XHNCKOQMSA-N 1 1 309.326 -2.337 20 0 DAADMO CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001002908885 663620638 /nfs/dbraw/zinc/62/06/38/663620638.db2.gz BQYPOIGCTZZYIH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO CN(C[C@H]1CCCN1C(=O)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001002908885 663620641 /nfs/dbraw/zinc/62/06/41/663620641.db2.gz BQYPOIGCTZZYIH-MNOVXSKESA-N 1 1 312.370 -1.748 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352549 663621520 /nfs/dbraw/zinc/62/15/20/663621520.db2.gz BNOFTFVIHQKLNR-MNOVXSKESA-N 1 1 321.381 -1.241 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)n(C)c1=O ZINC001016352549 663621522 /nfs/dbraw/zinc/62/15/22/663621522.db2.gz BNOFTFVIHQKLNR-MNOVXSKESA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H](C(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1)N1C(=O)CCC1=O ZINC001002952695 663621681 /nfs/dbraw/zinc/62/16/81/663621681.db2.gz HMVDSWYCESUKEC-NXEZZACHSA-N 1 1 324.381 -1.022 20 0 DAADMO CN1CCO[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)C1=O ZINC000922109417 663621976 /nfs/dbraw/zinc/62/19/76/663621976.db2.gz DZFDGBNYPJFVHM-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC000922119298 663622000 /nfs/dbraw/zinc/62/20/00/663622000.db2.gz QGHFCYGVSXNUOU-CYBMUJFWSA-N 1 1 317.386 -1.709 20 0 DAADMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCOCCO ZINC000922112514 663622546 /nfs/dbraw/zinc/62/25/46/663622546.db2.gz FLOGHHUSGNMZOE-NWDGAFQWSA-N 1 1 301.387 -1.232 20 0 DAADMO CC(=O)N1CSC[C@H]1C(=O)NCC[N@H+](C)CCOCCO ZINC000922121065 663622978 /nfs/dbraw/zinc/62/29/78/663622978.db2.gz ATZDJUGVSDDICW-LBPRGKRZSA-N 1 1 319.427 -1.035 20 0 DAADMO CNC(=O)C1(C(=O)NCC[N@@H+](C)CCOCCO)CCC1 ZINC000922121376 663623038 /nfs/dbraw/zinc/62/30/38/663623038.db2.gz SDDTZZIDMSJOCT-UHFFFAOYSA-N 1 1 301.387 -1.040 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032834074 663623195 /nfs/dbraw/zinc/62/31/95/663623195.db2.gz WWFPQNNZBKNRHK-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)N1CCOCC1 ZINC001032834074 663623197 /nfs/dbraw/zinc/62/31/97/663623197.db2.gz WWFPQNNZBKNRHK-AVGNSLFASA-N 1 1 310.398 -1.214 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001003227928 663626338 /nfs/dbraw/zinc/62/63/38/663626338.db2.gz VJTXTOGBQQSBAC-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO Cn1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001003227928 663626340 /nfs/dbraw/zinc/62/63/40/663626340.db2.gz VJTXTOGBQQSBAC-LBPRGKRZSA-N 1 1 322.369 -1.666 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837019 663626790 /nfs/dbraw/zinc/62/67/90/663626790.db2.gz BOMNKRNIDGQELP-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837019 663626793 /nfs/dbraw/zinc/62/67/93/663626793.db2.gz BOMNKRNIDGQELP-HRDYMLBCSA-N 1 1 311.342 -1.961 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc3nnnn3c2)CC1 ZINC001003305259 663626900 /nfs/dbraw/zinc/62/69/00/663626900.db2.gz PCRDMHYVLMXPHP-UHFFFAOYSA-N 1 1 303.326 -1.196 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032837321 663627019 /nfs/dbraw/zinc/62/70/19/663627019.db2.gz HUNCYUODOHCIBF-MXWKQRLJSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1CCCC(=O)N1 ZINC001032837321 663627020 /nfs/dbraw/zinc/62/70/20/663627020.db2.gz HUNCYUODOHCIBF-MXWKQRLJSA-N 1 1 322.365 -1.349 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032837016 663627226 /nfs/dbraw/zinc/62/72/26/663627226.db2.gz BJEVAVJUKDWLRF-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032837016 663627232 /nfs/dbraw/zinc/62/72/32/663627232.db2.gz BJEVAVJUKDWLRF-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cn(C)c(=O)cn2)CC1 ZINC001003338922 663627427 /nfs/dbraw/zinc/62/74/27/663627427.db2.gz MANHYFQNKPOCEJ-VIFPVBQESA-N 1 1 307.354 -1.152 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001003438201 663628700 /nfs/dbraw/zinc/62/87/00/663628700.db2.gz WPBSADKYVUCHDU-MNOVXSKESA-N 1 1 309.370 -1.521 20 0 DAADMO CN1C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)NC1=O ZINC001003438208 663628780 /nfs/dbraw/zinc/62/87/80/663628780.db2.gz WPBSADKYVUCHDU-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841882 663628794 /nfs/dbraw/zinc/62/87/94/663628794.db2.gz PYZWGQCSDQWQNM-HRDYMLBCSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841882 663628796 /nfs/dbraw/zinc/62/87/96/663628796.db2.gz PYZWGQCSDQWQNM-HRDYMLBCSA-N 1 1 309.326 -2.337 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)NC1=O ZINC001003436698 663628814 /nfs/dbraw/zinc/62/88/14/663628814.db2.gz JRQLPFJDTYXXHQ-GFCCVEGCSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)NC1=O ZINC001003438184 663629000 /nfs/dbraw/zinc/62/90/00/663629000.db2.gz WPBSADKYVUCHDU-GHMZBOCLSA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(CN1CCNC(=O)C1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003423254 663629099 /nfs/dbraw/zinc/62/90/99/663629099.db2.gz CMOFOZYLPDTFOT-GFCCVEGCSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841883 663629114 /nfs/dbraw/zinc/62/91/14/663629114.db2.gz PYZWGQCSDQWQNM-VGMNWLOBSA-N 1 1 309.326 -2.337 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032841883 663629115 /nfs/dbraw/zinc/62/91/15/663629115.db2.gz PYZWGQCSDQWQNM-VGMNWLOBSA-N 1 1 309.326 -2.337 20 0 DAADMO CN1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)C1=O ZINC001003465941 663629375 /nfs/dbraw/zinc/62/93/75/663629375.db2.gz REOHINFZKWNOMB-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003507778 663629902 /nfs/dbraw/zinc/62/99/02/663629902.db2.gz BILNTWAKXOTLOH-UHFFFAOYSA-N 1 1 308.338 -1.013 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001003475319 663629915 /nfs/dbraw/zinc/62/99/15/663629915.db2.gz QMAACZDMKDERLJ-NWDGAFQWSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC001003534022 663630621 /nfs/dbraw/zinc/63/06/21/663630621.db2.gz CWRVYNZDPTZVRG-UHFFFAOYSA-N 1 1 312.370 -1.653 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001003540589 663630817 /nfs/dbraw/zinc/63/08/17/663630817.db2.gz XEDMVJXTMNXYIV-JTQLQIEISA-N 1 1 317.411 -1.123 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001003532826 663631184 /nfs/dbraw/zinc/63/11/84/663631184.db2.gz YIQKUUSGGDETPY-LLVKDONJSA-N 1 1 322.369 -1.368 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001003532826 663631185 /nfs/dbraw/zinc/63/11/85/663631185.db2.gz YIQKUUSGGDETPY-LLVKDONJSA-N 1 1 322.369 -1.368 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003554621 663631855 /nfs/dbraw/zinc/63/18/55/663631855.db2.gz ZNHHTTKYTIUXMA-NEPJUHHUSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001003554621 663631858 /nfs/dbraw/zinc/63/18/58/663631858.db2.gz ZNHHTTKYTIUXMA-NEPJUHHUSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003554626 663631885 /nfs/dbraw/zinc/63/18/85/663631885.db2.gz ZNHHTTKYTIUXMA-RYUDHWBXSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001003554626 663631887 /nfs/dbraw/zinc/63/18/87/663631887.db2.gz ZNHHTTKYTIUXMA-RYUDHWBXSA-N 1 1 324.381 -1.972 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001003554077 663631983 /nfs/dbraw/zinc/63/19/83/663631983.db2.gz UHNOBGVDLUJIHD-NEPJUHHUSA-N 1 1 308.382 -1.209 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001003562933 663632189 /nfs/dbraw/zinc/63/21/89/663632189.db2.gz IKXBFPYUXXBOLZ-LBPRGKRZSA-N 1 1 319.365 -1.098 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)NC1=O ZINC001003574282 663632736 /nfs/dbraw/zinc/63/27/36/663632736.db2.gz ZWSSUXVGZLAXRI-RYUDHWBXSA-N 1 1 323.397 -1.464 20 0 DAADMO CN1C[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)NC1=O ZINC001003568782 663633374 /nfs/dbraw/zinc/63/33/74/663633374.db2.gz CBEZTTQJMKTSPL-VXGBXAGGSA-N 1 1 323.397 -1.321 20 0 DAADMO C[C@]1(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)CCNC1=O ZINC001003616532 663633596 /nfs/dbraw/zinc/63/35/96/663633596.db2.gz OAXFUGNXRAUBEF-NHYWBVRUSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001003615837 663633767 /nfs/dbraw/zinc/63/37/67/663633767.db2.gz VFTHHEFRTJGRKI-INTQDDNPSA-N 1 1 312.370 -1.526 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(CNC(=O)c2nnn(C)n2)C1 ZINC001003709098 663636338 /nfs/dbraw/zinc/63/63/38/663636338.db2.gz UNWVDTGLGPVQNK-JTQLQIEISA-N 1 1 321.385 -1.117 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001003709881 663636419 /nfs/dbraw/zinc/63/64/19/663636419.db2.gz IDEHOFNUIQECKS-JTQLQIEISA-N 1 1 323.357 -2.271 20 0 DAADMO Cn1nnc(C(=O)NCC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001003709881 663636420 /nfs/dbraw/zinc/63/64/20/663636420.db2.gz IDEHOFNUIQECKS-JTQLQIEISA-N 1 1 323.357 -2.271 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032844355 663637449 /nfs/dbraw/zinc/63/74/49/663637449.db2.gz VAOZDOLDACONDR-WOPDTQHZSA-N 1 1 323.397 -1.049 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)C1=O ZINC001032844355 663637450 /nfs/dbraw/zinc/63/74/50/663637450.db2.gz VAOZDOLDACONDR-WOPDTQHZSA-N 1 1 323.397 -1.049 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844297 663637528 /nfs/dbraw/zinc/63/75/28/663637528.db2.gz GAHJUFYHKXQWMI-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844297 663637532 /nfs/dbraw/zinc/63/75/32/663637532.db2.gz GAHJUFYHKXQWMI-AXFHLTTASA-N 1 1 311.386 -1.146 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844305 663637797 /nfs/dbraw/zinc/63/77/97/663637797.db2.gz JEVGKPWNLIJHPW-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032844305 663637798 /nfs/dbraw/zinc/63/77/98/663637798.db2.gz JEVGKPWNLIJHPW-MXWKQRLJSA-N 1 1 311.386 -1.016 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)NC2CC[NH+](CCF)CC2)C1=O ZINC001003726077 663638274 /nfs/dbraw/zinc/63/82/74/663638274.db2.gz LLIRYVFHEWLDFZ-UHFFFAOYSA-N 1 1 314.317 -1.043 20 0 DAADMO CN1CC[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)S1(=O)=O ZINC001003774216 663638928 /nfs/dbraw/zinc/63/89/28/663638928.db2.gz BAOFCDRUIWJXEP-JTQLQIEISA-N 1 1 318.399 -1.914 20 0 DAADMO Cn1ncc(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)n1 ZINC001003792321 663639214 /nfs/dbraw/zinc/63/92/14/663639214.db2.gz ZNWAPDTWHKZEMB-LLVKDONJSA-N 1 1 320.353 -1.186 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C(N)=O)C2)C1 ZINC001003793090 663639236 /nfs/dbraw/zinc/63/92/36/663639236.db2.gz ISSJZUYTKGWOAQ-NSHDSACASA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003811891 663639348 /nfs/dbraw/zinc/63/93/48/663639348.db2.gz LZTVASSGACHQBP-LBPRGKRZSA-N 1 1 323.353 -1.022 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003811891 663639351 /nfs/dbraw/zinc/63/93/51/663639351.db2.gz LZTVASSGACHQBP-LBPRGKRZSA-N 1 1 323.353 -1.022 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001003806138 663639497 /nfs/dbraw/zinc/63/94/97/663639497.db2.gz MQSUAWFJNGFCGJ-SNVBAGLBSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001003801588 663639579 /nfs/dbraw/zinc/63/95/79/663639579.db2.gz JRFKLLGOIZYDNR-MRVPVSSYSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003808962 663639933 /nfs/dbraw/zinc/63/99/33/663639933.db2.gz WSRVAIDBYIHAKM-LLVKDONJSA-N 1 1 309.326 -1.412 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cnon3)C2)C1 ZINC001003808962 663639936 /nfs/dbraw/zinc/63/99/36/663639936.db2.gz WSRVAIDBYIHAKM-LLVKDONJSA-N 1 1 309.326 -1.412 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001032894532 663640320 /nfs/dbraw/zinc/64/03/20/663640320.db2.gz YKXKKRLTGJEFBW-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001032894532 663640323 /nfs/dbraw/zinc/64/03/23/663640323.db2.gz YKXKKRLTGJEFBW-QWRGUYRKSA-N 1 1 307.358 -1.564 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894234 663640522 /nfs/dbraw/zinc/64/05/22/663640522.db2.gz USOPSWKXFWIRAI-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894234 663640523 /nfs/dbraw/zinc/64/05/23/663640523.db2.gz USOPSWKXFWIRAI-JQWIXIFHSA-N 1 1 321.385 -1.127 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032898627 663640533 /nfs/dbraw/zinc/64/05/33/663640533.db2.gz WJBIKZOEGYBWNP-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001032893292 663640551 /nfs/dbraw/zinc/64/05/51/663640551.db2.gz MLAQEMXIFRRANR-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001032893292 663640552 /nfs/dbraw/zinc/64/05/52/663640552.db2.gz MLAQEMXIFRRANR-GFCCVEGCSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001032893295 663640573 /nfs/dbraw/zinc/64/05/73/663640573.db2.gz MLAQEMXIFRRANR-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001032893295 663640580 /nfs/dbraw/zinc/64/05/80/663640580.db2.gz MLAQEMXIFRRANR-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894020 663640635 /nfs/dbraw/zinc/64/06/35/663640635.db2.gz SDFVXWFJWFBIRO-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894020 663640639 /nfs/dbraw/zinc/64/06/39/663640639.db2.gz SDFVXWFJWFBIRO-GHMZBOCLSA-N 1 1 309.374 -1.318 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cccnn3)C2)C1 ZINC001003826333 663640667 /nfs/dbraw/zinc/64/06/67/663640667.db2.gz SDOMXWXXLHTCCH-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)c3cccnn3)C2)C1 ZINC001003826333 663640675 /nfs/dbraw/zinc/64/06/75/663640675.db2.gz SDOMXWXXLHTCCH-CYBMUJFWSA-N 1 1 319.365 -1.005 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001032899810 663640713 /nfs/dbraw/zinc/64/07/13/663640713.db2.gz NEOGZALTVGHQBJ-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001032899810 663640718 /nfs/dbraw/zinc/64/07/18/663640718.db2.gz NEOGZALTVGHQBJ-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032897960 663640864 /nfs/dbraw/zinc/64/08/64/663640864.db2.gz QQWUXNDDMINRJN-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001032897960 663640866 /nfs/dbraw/zinc/64/08/66/663640866.db2.gz QQWUXNDDMINRJN-ZJUUUORDSA-N 1 1 321.341 -1.989 20 0 DAADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)CC2 ZINC001003904201 663641073 /nfs/dbraw/zinc/64/10/73/663641073.db2.gz GTFOHXRQPMDMFM-LLVKDONJSA-N 1 1 319.365 -1.186 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)CC[C@@H]2C1 ZINC000946573536 663641826 /nfs/dbraw/zinc/64/18/26/663641826.db2.gz VNHDYHWCONIQBR-AXFHLTTASA-N 1 1 310.354 -1.250 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003953348 663642228 /nfs/dbraw/zinc/64/22/28/663642228.db2.gz USHQPMXJKJUKFQ-NSHDSACASA-N 1 1 320.353 -1.552 20 0 DAADMO C[N@@H+](CC(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1)C1CCC1 ZINC001003955334 663642724 /nfs/dbraw/zinc/64/27/24/663642724.db2.gz PEFLVULGSKEMBG-LBPRGKRZSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001003956970 663643249 /nfs/dbraw/zinc/64/32/49/663643249.db2.gz XTPZZPDPKKLLIV-ZYHUDNBSSA-N 1 1 323.397 -1.416 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001003950732 663643458 /nfs/dbraw/zinc/64/34/58/663643458.db2.gz KXIFSNORVMJZSV-MNOVXSKESA-N 1 1 309.370 -1.806 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001003951750 663643564 /nfs/dbraw/zinc/64/35/64/663643564.db2.gz YMLOGWCPECQEBY-RYUDHWBXSA-N 1 1 323.397 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978129 663643859 /nfs/dbraw/zinc/64/38/59/663643859.db2.gz XIVFVUPEUGCPAH-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(Cc2nnn(C)n2)C1 ZINC001032978129 663643860 /nfs/dbraw/zinc/64/38/60/663643860.db2.gz XIVFVUPEUGCPAH-NEPJUHHUSA-N 1 1 323.401 -1.427 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001032977061 663644223 /nfs/dbraw/zinc/64/42/23/663644223.db2.gz RHRFGFJUQXVNKB-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001032977061 663644225 /nfs/dbraw/zinc/64/42/25/663644225.db2.gz RHRFGFJUQXVNKB-STQMWFEESA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001032977059 663644240 /nfs/dbraw/zinc/64/42/40/663644240.db2.gz RHRFGFJUQXVNKB-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001032977059 663644242 /nfs/dbraw/zinc/64/42/42/663644242.db2.gz RHRFGFJUQXVNKB-OLZOCXBDSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017048 663644396 /nfs/dbraw/zinc/64/43/96/663644396.db2.gz RQQWFZGKOGQDLB-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017048 663644398 /nfs/dbraw/zinc/64/43/98/663644398.db2.gz RQQWFZGKOGQDLB-ZDUSSCGKSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033016184 663644558 /nfs/dbraw/zinc/64/45/58/663644558.db2.gz NHKLDTDMVWZYFD-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO CN(C(=O)CN1CCOCC1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033016184 663644561 /nfs/dbraw/zinc/64/45/61/663644561.db2.gz NHKLDTDMVWZYFD-QWHCGFSZSA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N1 ZINC000922343032 663644620 /nfs/dbraw/zinc/64/46/20/663644620.db2.gz JLVORYXMZIRJBE-OLZOCXBDSA-N 1 1 310.398 -1.212 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017123 663644831 /nfs/dbraw/zinc/64/48/31/663644831.db2.gz SPBUUSSCNYOXQR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033017123 663644834 /nfs/dbraw/zinc/64/48/34/663644834.db2.gz SPBUUSSCNYOXQR-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033026184 663645230 /nfs/dbraw/zinc/64/52/30/663645230.db2.gz MKGPFAMMVXSAAJ-QWRGUYRKSA-N 1 1 322.369 -1.253 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001033026184 663645231 /nfs/dbraw/zinc/64/52/31/663645231.db2.gz MKGPFAMMVXSAAJ-QWRGUYRKSA-N 1 1 322.369 -1.253 20 0 DAADMO Cc1nn(CC(=O)NC2CC[NH+]([C@@H](C)C(N)=O)CC2)c(=O)n1C ZINC001004074828 663645301 /nfs/dbraw/zinc/64/53/01/663645301.db2.gz LGEGSJXDEBBOJM-VIFPVBQESA-N 1 1 324.385 -1.655 20 0 DAADMO Cc1nn(CC(=O)NC2CC[NH+](CC(N)=O)CC2)c(=O)n1C ZINC001004076743 663645423 /nfs/dbraw/zinc/64/54/23/663645423.db2.gz XQSCXIRDVFCTNW-UHFFFAOYSA-N 1 1 310.358 -2.044 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033021713 663645513 /nfs/dbraw/zinc/64/55/13/663645513.db2.gz CSGJIHGAIRTJFT-ZJUUUORDSA-N 1 1 308.342 -1.595 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033021713 663645518 /nfs/dbraw/zinc/64/55/18/663645518.db2.gz CSGJIHGAIRTJFT-ZJUUUORDSA-N 1 1 308.342 -1.595 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001004111450 663645903 /nfs/dbraw/zinc/64/59/03/663645903.db2.gz ZNWGCEPIGRYOJJ-QMMMGPOBSA-N 1 1 320.353 -1.357 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033049858 663646444 /nfs/dbraw/zinc/64/64/44/663646444.db2.gz YITXSZHPVKVXIG-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033049858 663646447 /nfs/dbraw/zinc/64/64/47/663646447.db2.gz YITXSZHPVKVXIG-WDEREUQCSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033057748 663647141 /nfs/dbraw/zinc/64/71/41/663647141.db2.gz LSYGBHLDKPKWGN-NSHDSACASA-N 1 1 321.385 -1.013 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001004259429 663647492 /nfs/dbraw/zinc/64/74/92/663647492.db2.gz HWRPLIHJVPIGMP-UHFFFAOYSA-N 1 1 305.338 -1.140 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004264614 663647605 /nfs/dbraw/zinc/64/76/05/663647605.db2.gz RWJVFWCKIRWVEN-NEPJUHHUSA-N 1 1 323.397 -1.001 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033085856 663647982 /nfs/dbraw/zinc/64/79/82/663647982.db2.gz KCAVBMBRAKELKY-LLVKDONJSA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033086192 663648016 /nfs/dbraw/zinc/64/80/16/663648016.db2.gz LJTNBLGATSVVPZ-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033086192 663648017 /nfs/dbraw/zinc/64/80/17/663648017.db2.gz LJTNBLGATSVVPZ-UWVGGRQHSA-N 1 1 321.341 -1.989 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033079540 663648128 /nfs/dbraw/zinc/64/81/28/663648128.db2.gz ZEICGTYXBFRTEV-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033079540 663648133 /nfs/dbraw/zinc/64/81/33/663648133.db2.gz ZEICGTYXBFRTEV-NSHDSACASA-N 1 1 307.358 -1.562 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033085862 663648229 /nfs/dbraw/zinc/64/82/29/663648229.db2.gz KCAVBMBRAKELKY-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097504 663648361 /nfs/dbraw/zinc/64/83/61/663648361.db2.gz ZHJBOAFLHYELEO-RKDXNWHRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097504 663648365 /nfs/dbraw/zinc/64/83/65/663648365.db2.gz ZHJBOAFLHYELEO-RKDXNWHRSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097502 663648641 /nfs/dbraw/zinc/64/86/41/663648641.db2.gz ZHJBOAFLHYELEO-IUCAKERBSA-N 1 1 323.357 -2.217 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033097502 663648644 /nfs/dbraw/zinc/64/86/44/663648644.db2.gz ZHJBOAFLHYELEO-IUCAKERBSA-N 1 1 323.357 -2.217 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033112239 663649135 /nfs/dbraw/zinc/64/91/35/663649135.db2.gz FUKJRMXORXWMOE-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033112239 663649137 /nfs/dbraw/zinc/64/91/37/663649137.db2.gz FUKJRMXORXWMOE-MNOVXSKESA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033112243 663649141 /nfs/dbraw/zinc/64/91/41/663649141.db2.gz FUKJRMXORXWMOE-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001033112243 663649142 /nfs/dbraw/zinc/64/91/42/663649142.db2.gz FUKJRMXORXWMOE-QWRGUYRKSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033112249 663649161 /nfs/dbraw/zinc/64/91/61/663649161.db2.gz FUKJRMXORXWMOE-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033112249 663649163 /nfs/dbraw/zinc/64/91/63/663649163.db2.gz FUKJRMXORXWMOE-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001004446403 663649550 /nfs/dbraw/zinc/64/95/50/663649550.db2.gz YOAGTJHPSVFDNS-ONGXEEELSA-N 1 1 321.385 -1.404 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)c2nnn(C)n2)C1 ZINC001004446395 663649657 /nfs/dbraw/zinc/64/96/57/663649657.db2.gz YOAGTJHPSVFDNS-MWLCHTKSSA-N 1 1 321.385 -1.404 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)CC[C@@H]2C1 ZINC000946610058 663649865 /nfs/dbraw/zinc/64/98/65/663649865.db2.gz CNDHXSKLOCUPFK-TXEJJXNPSA-N 1 1 306.370 -1.066 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001004472801 663650061 /nfs/dbraw/zinc/65/00/61/663650061.db2.gz PMADOEMFJWUTHL-TUAOUCFPSA-N 1 1 308.382 -1.366 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125232 663650607 /nfs/dbraw/zinc/65/06/07/663650607.db2.gz BOHWOENIVLTKAE-GFCCVEGCSA-N 1 1 324.381 -1.274 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001033123835 663650667 /nfs/dbraw/zinc/65/06/67/663650667.db2.gz SEJWDCJPJNZYKW-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001033123835 663650672 /nfs/dbraw/zinc/65/06/72/663650672.db2.gz SEJWDCJPJNZYKW-GHMZBOCLSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001033123838 663650859 /nfs/dbraw/zinc/65/08/59/663650859.db2.gz SEJWDCJPJNZYKW-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001033123838 663650860 /nfs/dbraw/zinc/65/08/60/663650860.db2.gz SEJWDCJPJNZYKW-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033127253 663651022 /nfs/dbraw/zinc/65/10/22/663651022.db2.gz SQZZDLHEVOONRJ-LLVKDONJSA-N 1 1 310.354 -1.928 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001033125198 663651111 /nfs/dbraw/zinc/65/11/11/663651111.db2.gz AREZKSXFNYNNGY-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001033130645 663651123 /nfs/dbraw/zinc/65/11/23/663651123.db2.gz GYTJCRUSXYOFAB-NEPJUHHUSA-N 1 1 319.427 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033145301 663651332 /nfs/dbraw/zinc/65/13/32/663651332.db2.gz KXJAJMLJYZPOMB-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033145301 663651334 /nfs/dbraw/zinc/65/13/34/663651334.db2.gz KXJAJMLJYZPOMB-LLVKDONJSA-N 1 1 312.370 -1.876 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001004532771 663651500 /nfs/dbraw/zinc/65/15/00/663651500.db2.gz VLFAVJWNNPJKHC-NWDGAFQWSA-N 1 1 323.397 -1.144 20 0 DAADMO CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033132132 663651507 /nfs/dbraw/zinc/65/15/07/663651507.db2.gz QIEQSLHARUAXMM-NSHDSACASA-N 1 1 305.400 -1.453 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151564 663651809 /nfs/dbraw/zinc/65/18/09/663651809.db2.gz HELKSVSSWYEXOF-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033151564 663651810 /nfs/dbraw/zinc/65/18/10/663651810.db2.gz HELKSVSSWYEXOF-GHMZBOCLSA-N 1 1 312.370 -1.748 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153205 663652336 /nfs/dbraw/zinc/65/23/36/663652336.db2.gz FNCFWFKINVTYEI-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033153205 663652338 /nfs/dbraw/zinc/65/23/38/663652338.db2.gz FNCFWFKINVTYEI-VHSXEESVSA-N 1 1 307.354 -1.200 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033160338 663652897 /nfs/dbraw/zinc/65/28/97/663652897.db2.gz FHTOCFIDKKBMCY-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033160338 663652900 /nfs/dbraw/zinc/65/29/00/663652900.db2.gz FHTOCFIDKKBMCY-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)CC[C@@H]2C1 ZINC000946755333 663654236 /nfs/dbraw/zinc/65/42/36/663654236.db2.gz WHBPMCABDHBOHP-PHIMTYICSA-N 1 1 308.382 -1.092 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2CC1 ZINC000946751886 663654329 /nfs/dbraw/zinc/65/43/29/663654329.db2.gz IUTFHEMPTQBJBJ-TUAOUCFPSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C(N)=O)CC[C@@H]3C2)C1=O ZINC000946752191 663654351 /nfs/dbraw/zinc/65/43/51/663654351.db2.gz WYPBIMPABUDTNC-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1cnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946747969 663654549 /nfs/dbraw/zinc/65/45/49/663654549.db2.gz YBNYIZORXBHHON-PHIMTYICSA-N 1 1 306.370 -1.029 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203057 663654837 /nfs/dbraw/zinc/65/48/37/663654837.db2.gz BIABBWMVJUTWAQ-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033203057 663654839 /nfs/dbraw/zinc/65/48/39/663654839.db2.gz BIABBWMVJUTWAQ-MNOVXSKESA-N 1 1 324.385 -1.622 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033208867 663655116 /nfs/dbraw/zinc/65/51/16/663655116.db2.gz SYYHYWAWXBMPTQ-MNOVXSKESA-N 1 1 322.369 -1.997 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033208867 663655118 /nfs/dbraw/zinc/65/51/18/663655118.db2.gz SYYHYWAWXBMPTQ-MNOVXSKESA-N 1 1 322.369 -1.997 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207647 663655121 /nfs/dbraw/zinc/65/51/21/663655121.db2.gz NQUDBBCHIIHZQQ-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033207647 663655123 /nfs/dbraw/zinc/65/51/23/663655123.db2.gz NQUDBBCHIIHZQQ-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033213870 663655128 /nfs/dbraw/zinc/65/51/28/663655128.db2.gz YQPBKBQOUXNWTK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033213870 663655130 /nfs/dbraw/zinc/65/51/30/663655130.db2.gz YQPBKBQOUXNWTK-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209002 663655162 /nfs/dbraw/zinc/65/51/62/663655162.db2.gz WADVEBGFFPRTGF-VHSXEESVSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209002 663655163 /nfs/dbraw/zinc/65/51/63/663655163.db2.gz WADVEBGFFPRTGF-VHSXEESVSA-N 1 1 310.358 -2.012 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225199 663655580 /nfs/dbraw/zinc/65/55/80/663655580.db2.gz OEWXZPZGZXPPPQ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001033225199 663655582 /nfs/dbraw/zinc/65/55/82/663655582.db2.gz OEWXZPZGZXPPPQ-QWRGUYRKSA-N 1 1 311.386 -1.192 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000946770916 663655679 /nfs/dbraw/zinc/65/56/79/663655679.db2.gz VGTCSIMUIVBNSB-HBNTYKKESA-N 1 1 312.370 -1.702 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033228696 663655752 /nfs/dbraw/zinc/65/57/52/663655752.db2.gz NJWOPEYTACDMFT-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033228696 663655753 /nfs/dbraw/zinc/65/57/53/663655753.db2.gz NJWOPEYTACDMFT-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223101 663655758 /nfs/dbraw/zinc/65/57/58/663655758.db2.gz UNLKJWSDXWNNHC-WCBMZHEXSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cnn[n-]1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223101 663655759 /nfs/dbraw/zinc/65/57/59/663655759.db2.gz UNLKJWSDXWNNHC-WCBMZHEXSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223101 663655762 /nfs/dbraw/zinc/65/57/62/663655762.db2.gz UNLKJWSDXWNNHC-WCBMZHEXSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033223101 663655765 /nfs/dbraw/zinc/65/57/65/663655765.db2.gz UNLKJWSDXWNNHC-WCBMZHEXSA-N 1 1 306.326 -1.244 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033228698 663655917 /nfs/dbraw/zinc/65/59/17/663655917.db2.gz NJWOPEYTACDMFT-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033228698 663655919 /nfs/dbraw/zinc/65/59/19/663655919.db2.gz NJWOPEYTACDMFT-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033239354 663656110 /nfs/dbraw/zinc/65/61/10/663656110.db2.gz CNHYQMOCCHSOQL-NSHDSACASA-N 1 1 310.354 -1.136 20 0 DAADMO CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000946776027 663656149 /nfs/dbraw/zinc/65/61/49/663656149.db2.gz YPKMKGSWSXYKKB-GMTAPVOTSA-N 1 1 312.370 -1.845 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033241059 663656321 /nfs/dbraw/zinc/65/63/21/663656321.db2.gz SEMDYUXFQSLRQJ-QWRGUYRKSA-N 1 1 310.354 -1.138 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240709 663656370 /nfs/dbraw/zinc/65/63/70/663656370.db2.gz ONTJIORIJPQCPJ-VHSXEESVSA-N 1 1 323.353 -1.645 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001033240709 663656372 /nfs/dbraw/zinc/65/63/72/663656372.db2.gz ONTJIORIJPQCPJ-VHSXEESVSA-N 1 1 323.353 -1.645 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033277810 663656822 /nfs/dbraw/zinc/65/68/22/663656822.db2.gz HRYKLXYJWYGBQE-LGESCRJUSA-N 1 1 322.409 -1.132 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC000946796467 663657269 /nfs/dbraw/zinc/65/72/69/663657269.db2.gz JVFXVHGXNJVUBQ-CMPLNLGQSA-N 1 1 323.397 -1.273 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC(NC(=O)Cn3ncnn3)CC2)C1 ZINC000946796177 663657440 /nfs/dbraw/zinc/65/74/40/663657440.db2.gz DEMIQELLIIYFFB-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328143 663658393 /nfs/dbraw/zinc/65/83/93/663658393.db2.gz MUCRKXWSLWBVOF-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033326992 663658453 /nfs/dbraw/zinc/65/84/53/663658453.db2.gz FLVRZSBWOWWQPB-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033326992 663658454 /nfs/dbraw/zinc/65/84/54/663658454.db2.gz FLVRZSBWOWWQPB-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033329393 663658467 /nfs/dbraw/zinc/65/84/67/663658467.db2.gz ULGNNZCAHLGJBK-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033329393 663658468 /nfs/dbraw/zinc/65/84/68/663658468.db2.gz ULGNNZCAHLGJBK-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033327029 663658476 /nfs/dbraw/zinc/65/84/76/663658476.db2.gz GGGYNZHQDFEFFR-NEPJUHHUSA-N 1 1 321.385 -1.166 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033326981 663658481 /nfs/dbraw/zinc/65/84/81/663658481.db2.gz FLVRZSBWOWWQPB-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033326981 663658483 /nfs/dbraw/zinc/65/84/83/663658483.db2.gz FLVRZSBWOWWQPB-NEPJUHHUSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033330346 663658807 /nfs/dbraw/zinc/65/88/07/663658807.db2.gz ZLUQVKJZZOEQQT-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033337117 663658838 /nfs/dbraw/zinc/65/88/38/663658838.db2.gz FSZRIUFAHSDGRU-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033337117 663658842 /nfs/dbraw/zinc/65/88/42/663658842.db2.gz FSZRIUFAHSDGRU-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033332688 663658941 /nfs/dbraw/zinc/65/89/41/663658941.db2.gz OJXWHGXTQFEQEB-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033334773 663659017 /nfs/dbraw/zinc/65/90/17/663659017.db2.gz WURVNZKRACMOOW-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033337040 663659055 /nfs/dbraw/zinc/65/90/55/663659055.db2.gz DDBJXHXLEXOZTH-DTWKUNHWSA-N 1 1 321.341 -1.838 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033337040 663659057 /nfs/dbraw/zinc/65/90/57/663659057.db2.gz DDBJXHXLEXOZTH-DTWKUNHWSA-N 1 1 321.341 -1.838 20 0 DAADMO O[C@H]1CN(Cc2ccccc2C[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000625713154 663659100 /nfs/dbraw/zinc/65/91/00/663659100.db2.gz OAKYOVSTIYZPRB-VGWMRTNUSA-N 1 1 308.378 -1.239 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033337120 663659113 /nfs/dbraw/zinc/65/91/13/663659113.db2.gz FSZRIUFAHSDGRU-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001033337120 663659115 /nfs/dbraw/zinc/65/91/15/663659115.db2.gz FSZRIUFAHSDGRU-WDEREUQCSA-N 1 1 321.385 -1.023 20 0 DAADMO CN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033338477 663659281 /nfs/dbraw/zinc/65/92/81/663659281.db2.gz BOANJFMKIXILMI-LLVKDONJSA-N 1 1 321.385 -1.021 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033379623 663659399 /nfs/dbraw/zinc/65/93/99/663659399.db2.gz NIVIZOLBULFRHD-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033379623 663659400 /nfs/dbraw/zinc/65/94/00/663659400.db2.gz NIVIZOLBULFRHD-WDEREUQCSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033379621 663659416 /nfs/dbraw/zinc/65/94/16/663659416.db2.gz NIVIZOLBULFRHD-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033379621 663659418 /nfs/dbraw/zinc/65/94/18/663659418.db2.gz NIVIZOLBULFRHD-QWRGUYRKSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033371688 663659798 /nfs/dbraw/zinc/65/97/98/663659798.db2.gz ANDLDTKNWMROCC-KOLCDFICSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033371688 663659799 /nfs/dbraw/zinc/65/97/99/663659799.db2.gz ANDLDTKNWMROCC-KOLCDFICSA-N 1 1 305.338 -1.195 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001033375988 663660142 /nfs/dbraw/zinc/66/01/42/663660142.db2.gz MDGBCSWYQHNVFW-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001033375988 663660144 /nfs/dbraw/zinc/66/01/44/663660144.db2.gz MDGBCSWYQHNVFW-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033379056 663660532 /nfs/dbraw/zinc/66/05/32/663660532.db2.gz JOXCSOQEDSRXQL-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033379056 663660533 /nfs/dbraw/zinc/66/05/33/663660533.db2.gz JOXCSOQEDSRXQL-GHMZBOCLSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033425533 663660553 /nfs/dbraw/zinc/66/05/53/663660553.db2.gz JTFOZNWORJVCLA-TUAOUCFPSA-N 1 1 323.397 -1.334 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001033379061 663660639 /nfs/dbraw/zinc/66/06/39/663660639.db2.gz JOXCSOQEDSRXQL-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001033379061 663660641 /nfs/dbraw/zinc/66/06/41/663660641.db2.gz JOXCSOQEDSRXQL-QWRGUYRKSA-N 1 1 309.370 -1.567 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001033382566 663660741 /nfs/dbraw/zinc/66/07/41/663660741.db2.gz FNCMSBVKXKWUGO-SECBINFHSA-N 1 1 323.353 -2.398 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001033382566 663660742 /nfs/dbraw/zinc/66/07/42/663660742.db2.gz FNCMSBVKXKWUGO-SECBINFHSA-N 1 1 323.353 -2.398 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501775 663661078 /nfs/dbraw/zinc/66/10/78/663661078.db2.gz IQIPPJMAZLVRGX-MWLCHTKSSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501775 663661082 /nfs/dbraw/zinc/66/10/82/663661082.db2.gz IQIPPJMAZLVRGX-MWLCHTKSSA-N 1 1 324.381 -1.294 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033464109 663661187 /nfs/dbraw/zinc/66/11/87/663661187.db2.gz WGUYWPJJHMPIFS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033464109 663661188 /nfs/dbraw/zinc/66/11/88/663661188.db2.gz WGUYWPJJHMPIFS-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CC[N@@H+](CCO)C1 ZINC001033475614 663661495 /nfs/dbraw/zinc/66/14/95/663661495.db2.gz WYVWWCBBWSXOJJ-JTQLQIEISA-N 1 1 310.354 -1.777 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503067 663661932 /nfs/dbraw/zinc/66/19/32/663661932.db2.gz VBZSWLAITCUEQR-NSHDSACASA-N 1 1 324.381 -1.340 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033503067 663661935 /nfs/dbraw/zinc/66/19/35/663661935.db2.gz VBZSWLAITCUEQR-NSHDSACASA-N 1 1 324.381 -1.340 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507207 663662163 /nfs/dbraw/zinc/66/21/63/663662163.db2.gz CYPMOYDBGBBGJT-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507207 663662168 /nfs/dbraw/zinc/66/21/68/663662168.db2.gz CYPMOYDBGBBGJT-BDAKNGLRSA-N 1 1 311.342 -2.055 20 0 DAADMO CN(C(=O)[C@H]1CCN(C)S1(=O)=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033503212 663662238 /nfs/dbraw/zinc/66/22/38/663662238.db2.gz UQQNCNCWAWJUDO-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033500212 663662366 /nfs/dbraw/zinc/66/23/66/663662366.db2.gz XWYKKOLRBNHGRX-OPASDULOSA-N 1 1 310.354 -1.500 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501816 663662381 /nfs/dbraw/zinc/66/23/81/663662381.db2.gz IWQQXWWREJHVQQ-QWRGUYRKSA-N 1 1 324.381 -1.164 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501816 663662382 /nfs/dbraw/zinc/66/23/82/663662382.db2.gz IWQQXWWREJHVQQ-QWRGUYRKSA-N 1 1 324.381 -1.164 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033519559 663662405 /nfs/dbraw/zinc/66/24/05/663662405.db2.gz VQPUXGJBMXJQNB-VIFPVBQESA-N 1 1 322.325 -1.232 20 0 DAADMO CN(C(=O)c1cnon1)[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001033519559 663662406 /nfs/dbraw/zinc/66/24/06/663662406.db2.gz VQPUXGJBMXJQNB-VIFPVBQESA-N 1 1 322.325 -1.232 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033514076 663662510 /nfs/dbraw/zinc/66/25/10/663662510.db2.gz SUFRJFFDXZKNIH-SNVBAGLBSA-N 1 1 307.358 -1.024 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001033577749 663663612 /nfs/dbraw/zinc/66/36/12/663663612.db2.gz PULSHPCDYDINBL-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO CN(C(=O)c1cc(=O)n2[nH]cnc2n1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033583519 663663980 /nfs/dbraw/zinc/66/39/80/663663980.db2.gz RHIUMWSAPWJODN-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001033599285 663664453 /nfs/dbraw/zinc/66/44/53/663664453.db2.gz NBRMPYVOLNKGKZ-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001033599285 663664455 /nfs/dbraw/zinc/66/44/55/663664455.db2.gz NBRMPYVOLNKGKZ-RYUDHWBXSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001033599284 663664588 /nfs/dbraw/zinc/66/45/88/663664588.db2.gz NBRMPYVOLNKGKZ-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)n1 ZINC001033599284 663664591 /nfs/dbraw/zinc/66/45/91/663664591.db2.gz NBRMPYVOLNKGKZ-NWDGAFQWSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642183 663665000 /nfs/dbraw/zinc/66/50/00/663665000.db2.gz JIXIXZWUTOADNR-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642183 663665001 /nfs/dbraw/zinc/66/50/01/663665001.db2.gz JIXIXZWUTOADNR-DTWKUNHWSA-N 1 1 311.342 -2.055 20 0 DAADMO Cc1nn(CC(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)O)C2)c(=O)n1C ZINC001033626746 663665257 /nfs/dbraw/zinc/66/52/57/663665257.db2.gz UNOISSGBCBCHRJ-PWSUYJOCSA-N 1 1 311.386 -1.196 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033639879 663665265 /nfs/dbraw/zinc/66/52/65/663665265.db2.gz JCXIAYJXUMHXGZ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033639879 663665268 /nfs/dbraw/zinc/66/52/68/663665268.db2.gz JCXIAYJXUMHXGZ-PWSUYJOCSA-N 1 1 319.365 -1.185 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033643692 663665458 /nfs/dbraw/zinc/66/54/58/663665458.db2.gz DXMGHVNJYUWRGD-GFCCVEGCSA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660176 663665550 /nfs/dbraw/zinc/66/55/50/663665550.db2.gz NVQSJPSAWQLUAK-IUCAKERBSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660176 663665552 /nfs/dbraw/zinc/66/55/52/663665552.db2.gz NVQSJPSAWQLUAK-IUCAKERBSA-N 1 1 323.353 -1.494 20 0 DAADMO CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033676312 663665738 /nfs/dbraw/zinc/66/57/38/663665738.db2.gz WBHBOALGYOVFOW-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645358 663665746 /nfs/dbraw/zinc/66/57/46/663665746.db2.gz CFAYGZGNJFQALZ-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645358 663665750 /nfs/dbraw/zinc/66/57/50/663665750.db2.gz CFAYGZGNJFQALZ-SNVBAGLBSA-N 1 1 310.354 -1.586 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671738 663665767 /nfs/dbraw/zinc/66/57/67/663665767.db2.gz QCZVTFJINIPBMU-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671738 663665770 /nfs/dbraw/zinc/66/57/70/663665770.db2.gz QCZVTFJINIPBMU-VHSXEESVSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001033643240 663665839 /nfs/dbraw/zinc/66/58/39/663665839.db2.gz WFKNMQOHXOQTGS-WDEREUQCSA-N 1 1 312.370 -1.206 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646040 663665868 /nfs/dbraw/zinc/66/58/68/663665868.db2.gz IUEHPVDVECQVIA-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646040 663665869 /nfs/dbraw/zinc/66/58/69/663665869.db2.gz IUEHPVDVECQVIA-WDEREUQCSA-N 1 1 324.381 -1.068 20 0 DAADMO CN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033642802 663665925 /nfs/dbraw/zinc/66/59/25/663665925.db2.gz PAUUMOWGJKDZIG-NSHDSACASA-N 1 1 312.370 -1.205 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033642746 663666102 /nfs/dbraw/zinc/66/61/02/663666102.db2.gz SGMPQDJNRWZZOF-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO CN(C(=O)Cn1cncn1)[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001033642746 663666104 /nfs/dbraw/zinc/66/61/04/663666104.db2.gz SGMPQDJNRWZZOF-WDEREUQCSA-N 1 1 320.353 -1.384 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660173 663666138 /nfs/dbraw/zinc/66/61/38/663666138.db2.gz NVQSJPSAWQLUAK-BDAKNGLRSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033660173 663666140 /nfs/dbraw/zinc/66/61/40/663666140.db2.gz NVQSJPSAWQLUAK-BDAKNGLRSA-N 1 1 323.353 -1.494 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690261 663666359 /nfs/dbraw/zinc/66/63/59/663666359.db2.gz HLTUBMSEAQGORC-VHSXEESVSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690261 663666362 /nfs/dbraw/zinc/66/63/62/663666362.db2.gz HLTUBMSEAQGORC-VHSXEESVSA-N 1 1 309.370 -1.256 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005286353 663666371 /nfs/dbraw/zinc/66/63/71/663666371.db2.gz DPZVWQCYYIGHLA-NSHDSACASA-N 1 1 322.369 -1.205 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001033705769 663666422 /nfs/dbraw/zinc/66/64/22/663666422.db2.gz LSAPZSWHKCJJMY-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001033705769 663666424 /nfs/dbraw/zinc/66/64/24/663666424.db2.gz LSAPZSWHKCJJMY-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033693127 663666474 /nfs/dbraw/zinc/66/64/74/663666474.db2.gz PPGGZBXPPMVFTB-GHMZBOCLSA-N 1 1 321.381 -1.241 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033693127 663666478 /nfs/dbraw/zinc/66/64/78/663666478.db2.gz PPGGZBXPPMVFTB-GHMZBOCLSA-N 1 1 321.381 -1.241 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690262 663666618 /nfs/dbraw/zinc/66/66/18/663666618.db2.gz HLTUBMSEAQGORC-ZJUUUORDSA-N 1 1 309.370 -1.256 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001033690262 663666619 /nfs/dbraw/zinc/66/66/19/663666619.db2.gz HLTUBMSEAQGORC-ZJUUUORDSA-N 1 1 309.370 -1.256 20 0 DAADMO CN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033683567 663666627 /nfs/dbraw/zinc/66/66/27/663666627.db2.gz ABJPIZIZPPUHTK-JTQLQIEISA-N 1 1 310.358 -1.708 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033687013 663666743 /nfs/dbraw/zinc/66/67/43/663666743.db2.gz WEPKIGOBUVVJTK-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033684048 663666754 /nfs/dbraw/zinc/66/67/54/663666754.db2.gz CGLRZUDBXATPOJ-GHMZBOCLSA-N 1 1 324.385 -1.055 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005393210 663667251 /nfs/dbraw/zinc/66/72/51/663667251.db2.gz NQYHJTCSHULJHA-NSHDSACASA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001005391857 663667341 /nfs/dbraw/zinc/66/73/41/663667341.db2.gz ABYSJMIMQKLFTR-UHFFFAOYSA-N 1 1 321.385 -1.126 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033929013 663667977 /nfs/dbraw/zinc/66/79/77/663667977.db2.gz ITDKJJAWFUDINI-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033929013 663667979 /nfs/dbraw/zinc/66/79/79/663667979.db2.gz ITDKJJAWFUDINI-ZJUUUORDSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033929010 663668158 /nfs/dbraw/zinc/66/81/58/663668158.db2.gz ITDKJJAWFUDINI-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033929010 663668162 /nfs/dbraw/zinc/66/81/62/663668162.db2.gz ITDKJJAWFUDINI-NXEZZACHSA-N 1 1 309.374 -1.119 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001034038230 663668415 /nfs/dbraw/zinc/66/84/15/663668415.db2.gz QVRHNCFPYLPKCB-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034038230 663668418 /nfs/dbraw/zinc/66/84/18/663668418.db2.gz QVRHNCFPYLPKCB-SECBINFHSA-N 1 1 323.353 -1.492 20 0 DAADMO CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033983089 663668450 /nfs/dbraw/zinc/66/84/50/663668450.db2.gz MEJIZWIRQRMVGX-LOIXOFCESA-N 1 1 324.381 -1.110 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033986461 663668487 /nfs/dbraw/zinc/66/84/87/663668487.db2.gz RTICZTBBMNLXMO-MWLCHTKSSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033986461 663668488 /nfs/dbraw/zinc/66/84/88/663668488.db2.gz RTICZTBBMNLXMO-MWLCHTKSSA-N 1 1 324.381 -1.164 20 0 DAADMO CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033980784 663668609 /nfs/dbraw/zinc/66/86/09/663668609.db2.gz ZREBCBZNQWCJKP-LLVKDONJSA-N 1 1 324.381 -1.387 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001033937056 663668668 /nfs/dbraw/zinc/66/86/68/663668668.db2.gz FRVWVZIFEGDCCD-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001033937056 663668669 /nfs/dbraw/zinc/66/86/69/663668669.db2.gz FRVWVZIFEGDCCD-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033970859 663668693 /nfs/dbraw/zinc/66/86/93/663668693.db2.gz FGVDVMDESHOHQI-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034049658 663669065 /nfs/dbraw/zinc/66/90/65/663669065.db2.gz SPDNEHNROPNWCY-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034048015 663669121 /nfs/dbraw/zinc/66/91/21/663669121.db2.gz DFSLTFCDQJTYHG-WDEREUQCSA-N 1 1 324.385 -1.319 20 0 DAADMO CCN(C(=O)c1cn(CC(N)=O)nn1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034049481 663669273 /nfs/dbraw/zinc/66/92/73/663669273.db2.gz RDVZWKLLPWUDAK-SNVBAGLBSA-N 1 1 310.358 -1.708 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCCC[C@H](NC(=O)Cn3cnnn3)C2)C1=O ZINC001034096014 663669300 /nfs/dbraw/zinc/66/93/00/663669300.db2.gz BBZOJZVWTZCUSF-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034094615 663669309 /nfs/dbraw/zinc/66/93/09/663669309.db2.gz NFJPLODWKIZJSG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001034094615 663669310 /nfs/dbraw/zinc/66/93/10/663669310.db2.gz NFJPLODWKIZJSG-NSHDSACASA-N 1 1 309.374 -1.268 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001005506784 663669363 /nfs/dbraw/zinc/66/93/63/663669363.db2.gz ADRIDAUPARREHX-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220277 663669656 /nfs/dbraw/zinc/66/96/56/663669656.db2.gz SRNGJLPWKMZPQL-WDEREUQCSA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@H+]1CCCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034218055 663669750 /nfs/dbraw/zinc/66/97/50/663669750.db2.gz YNBCWLKGRJEZDT-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001034220271 663669918 /nfs/dbraw/zinc/66/99/18/663669918.db2.gz SRNGJLPWKMZPQL-GHMZBOCLSA-N 1 1 324.385 -1.272 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001034207087 663670012 /nfs/dbraw/zinc/67/00/12/663670012.db2.gz HTZUUUULUAZLQQ-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034280191 663670206 /nfs/dbraw/zinc/67/02/06/663670206.db2.gz SIIWGGWHWRHURQ-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)n1 ZINC001034221169 663670336 /nfs/dbraw/zinc/67/03/36/663670336.db2.gz ZSQPAYUJCWLDJR-SNVBAGLBSA-N 1 1 310.358 -1.660 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)cc1=O ZINC001034250880 663670379 /nfs/dbraw/zinc/67/03/79/663670379.db2.gz YBJHOFWMBCOPKV-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)CC1=O ZINC001034283239 663670345 /nfs/dbraw/zinc/67/03/45/663670345.db2.gz TVQWYHZTRQMMKM-CYBMUJFWSA-N 1 1 312.414 -1.277 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)cc1=O ZINC001034250880 663670380 /nfs/dbraw/zinc/67/03/80/663670380.db2.gz YBJHOFWMBCOPKV-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)c1=O ZINC001034279317 663670398 /nfs/dbraw/zinc/67/03/98/663670398.db2.gz KCNGHYUQTBGDGD-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)c1=O ZINC001034279317 663670400 /nfs/dbraw/zinc/67/04/00/663670400.db2.gz KCNGHYUQTBGDGD-JTQLQIEISA-N 1 1 310.358 -1.962 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@H]2CCCC[N@@H+](CCO)C2)c1=O ZINC001034232927 663670558 /nfs/dbraw/zinc/67/05/58/663670558.db2.gz ZHVSOZOLEHRJHA-LBPRGKRZSA-N 1 1 324.381 -1.490 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279961 663670761 /nfs/dbraw/zinc/67/07/61/663670761.db2.gz SIIWGGWHWRHURQ-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279866 663670765 /nfs/dbraw/zinc/67/07/65/663670765.db2.gz QKKAFDYSLZLOGW-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001034279866 663670766 /nfs/dbraw/zinc/67/07/66/663670766.db2.gz QKKAFDYSLZLOGW-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001034371243 663670982 /nfs/dbraw/zinc/67/09/82/663670982.db2.gz APZSEXFBYZVMBR-WDEREUQCSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001034371243 663670984 /nfs/dbraw/zinc/67/09/84/663670984.db2.gz APZSEXFBYZVMBR-WDEREUQCSA-N 1 1 317.411 -1.123 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034350263 663671041 /nfs/dbraw/zinc/67/10/41/663671041.db2.gz NSLGVNNGEVYWJK-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001034350263 663671043 /nfs/dbraw/zinc/67/10/43/663671043.db2.gz NSLGVNNGEVYWJK-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO O=C(C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379764 663671184 /nfs/dbraw/zinc/67/11/84/663671184.db2.gz QOICYEOEWOTTJZ-RYUDHWBXSA-N 1 1 323.397 -1.083 20 0 DAADMO O=C(C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001034379764 663671185 /nfs/dbraw/zinc/67/11/85/663671185.db2.gz QOICYEOEWOTTJZ-RYUDHWBXSA-N 1 1 323.397 -1.083 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348476 663671194 /nfs/dbraw/zinc/67/11/94/663671194.db2.gz BZDXBIVNGMJNSU-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001034348476 663671195 /nfs/dbraw/zinc/67/11/95/663671195.db2.gz BZDXBIVNGMJNSU-UWVGGRQHSA-N 1 1 309.374 -1.071 20 0 DAADMO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001034345690 663671226 /nfs/dbraw/zinc/67/12/26/663671226.db2.gz QDZAXFKVISFPNJ-STQMWFEESA-N 1 1 312.414 -1.230 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449918 663671751 /nfs/dbraw/zinc/67/17/51/663671751.db2.gz VYMRZQGMMMFFOG-ONGXEEELSA-N 1 1 324.381 -1.116 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001034449918 663671753 /nfs/dbraw/zinc/67/17/53/663671753.db2.gz VYMRZQGMMMFFOG-ONGXEEELSA-N 1 1 324.381 -1.116 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034523578 663671819 /nfs/dbraw/zinc/67/18/19/663671819.db2.gz MUGLSFMDECMQPL-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001034523578 663671821 /nfs/dbraw/zinc/67/18/21/663671821.db2.gz MUGLSFMDECMQPL-SECBINFHSA-N 1 1 311.342 -2.006 20 0 DAADMO CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034561056 663672326 /nfs/dbraw/zinc/67/23/26/663672326.db2.gz ZQXTUFXUPOTLMT-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001034561056 663672328 /nfs/dbraw/zinc/67/23/28/663672328.db2.gz ZQXTUFXUPOTLMT-WDEREUQCSA-N 1 1 324.381 -1.244 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034518483 663672426 /nfs/dbraw/zinc/67/24/26/663672426.db2.gz VSUDYBCMXBJCLJ-LLVKDONJSA-N 1 1 312.370 -1.109 20 0 DAADMO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034560030 663672544 /nfs/dbraw/zinc/67/25/44/663672544.db2.gz UAYGVJLIUIVMTM-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001034560030 663672546 /nfs/dbraw/zinc/67/25/46/663672546.db2.gz UAYGVJLIUIVMTM-ZJUUUORDSA-N 1 1 310.354 -1.505 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1 ZINC001005667208 663673768 /nfs/dbraw/zinc/67/37/68/663673768.db2.gz DKEBWPXVZXOCSB-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1 ZINC001005667208 663673770 /nfs/dbraw/zinc/67/37/70/663673770.db2.gz DKEBWPXVZXOCSB-WYUUTHIRSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1 ZINC001005667205 663673848 /nfs/dbraw/zinc/67/38/48/663673848.db2.gz DKEBWPXVZXOCSB-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)C1 ZINC001005667205 663673850 /nfs/dbraw/zinc/67/38/50/663673850.db2.gz DKEBWPXVZXOCSB-WISYIIOYSA-N 1 1 324.381 -1.560 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)O1 ZINC001005680002 663674086 /nfs/dbraw/zinc/67/40/86/663674086.db2.gz ORKBGHAABJWMQU-PZWNZHSQSA-N 1 1 324.381 -1.561 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(N)=O)C3)O1 ZINC001005680002 663674088 /nfs/dbraw/zinc/67/40/88/663674088.db2.gz ORKBGHAABJWMQU-PZWNZHSQSA-N 1 1 324.381 -1.561 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794163 663674800 /nfs/dbraw/zinc/67/48/00/663674800.db2.gz ALBIPUYEIPLDAH-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014794163 663674803 /nfs/dbraw/zinc/67/48/03/663674803.db2.gz ALBIPUYEIPLDAH-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CS(C)(=O)=O)n1 ZINC001034871917 663675070 /nfs/dbraw/zinc/67/50/70/663675070.db2.gz GLRFDPSAVNGGNT-LLVKDONJSA-N 1 1 315.399 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001034905006 663675401 /nfs/dbraw/zinc/67/54/01/663675401.db2.gz KQEVAIOSHNIDMI-WDEREUQCSA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CN=NC2=O)n1 ZINC001034913353 663675467 /nfs/dbraw/zinc/67/54/67/663675467.db2.gz MOGMGHVRFASTQI-LLVKDONJSA-N 1 1 320.357 -1.107 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCn1ccnn1 ZINC001034919397 663675659 /nfs/dbraw/zinc/67/56/59/663675659.db2.gz RIPAFPBRRFCLGJ-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)cn1)C1CC[NH+](CC(N)=O)CC1 ZINC001005743774 663675985 /nfs/dbraw/zinc/67/59/85/663675985.db2.gz FQQTVSAAOACUJC-UHFFFAOYSA-N 1 1 307.354 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)c1cc(=O)n(C)o1 ZINC001034922215 663676098 /nfs/dbraw/zinc/67/60/98/663676098.db2.gz KMUCKKSIJURHRT-SECBINFHSA-N 1 1 321.341 -1.104 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)nn1 ZINC001035015187 663676427 /nfs/dbraw/zinc/67/64/27/663676427.db2.gz XBTYIICSMWOBLE-NEPJUHHUSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001035016590 663676713 /nfs/dbraw/zinc/67/67/13/663676713.db2.gz CLQZBLRHOILHSY-MRVPVSSYSA-N 1 1 306.334 -1.872 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2C)NC1=O ZINC001035014669 663676741 /nfs/dbraw/zinc/67/67/41/663676741.db2.gz PENMMKGUTRSQTA-GHMZBOCLSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001035086311 663676976 /nfs/dbraw/zinc/67/69/76/663676976.db2.gz RYZGQEAGBQSELW-SNVBAGLBSA-N 1 1 320.361 -1.633 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001035078199 663677019 /nfs/dbraw/zinc/67/70/19/663677019.db2.gz IBYRPYKTEOJCST-SNVBAGLBSA-N 1 1 322.325 -1.298 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001035030290 663677031 /nfs/dbraw/zinc/67/70/31/663677031.db2.gz FABISCBHDVVODI-ZJUUUORDSA-N 1 1 307.358 -1.423 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001035031622 663677247 /nfs/dbraw/zinc/67/72/47/663677247.db2.gz ZYVLFSWKAQWLOW-ZJUUUORDSA-N 1 1 307.358 -1.423 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035213205 663677773 /nfs/dbraw/zinc/67/77/73/663677773.db2.gz GLXUYVWTIGOPKX-UHFFFAOYSA-N 1 1 324.425 -1.275 20 0 DAADMO Cn1cnn(CC(=O)N2CCC3(CC[N@@H+](CCO)C3)CC2)c1=O ZINC001035200895 663677841 /nfs/dbraw/zinc/67/78/41/663677841.db2.gz CXRQUCSFOUNVOH-UHFFFAOYSA-N 1 1 323.397 -1.111 20 0 DAADMO NC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC001035183778 663677926 /nfs/dbraw/zinc/67/79/26/663677926.db2.gz LWYWFGVCAHJBJB-SNVBAGLBSA-N 1 1 310.354 -1.105 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035156535 663677936 /nfs/dbraw/zinc/67/79/36/663677936.db2.gz DVBYJYPPOKQHAZ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035186309 663677964 /nfs/dbraw/zinc/67/79/64/663677964.db2.gz ZXVFJGWXQWKGCW-LLVKDONJSA-N 1 1 321.385 -1.139 20 0 DAADMO Cn1nnc(CN2CCO[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001035307292 663678557 /nfs/dbraw/zinc/67/85/57/663678557.db2.gz OIBRHSSZOAAAGV-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnc(CN2CCO[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001035307290 663678581 /nfs/dbraw/zinc/67/85/81/663678581.db2.gz OIBRHSSZOAAAGV-NEPJUHHUSA-N 1 1 323.401 -1.379 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325801 663679226 /nfs/dbraw/zinc/67/92/26/663679226.db2.gz CRXWMANBKOSWHA-MNOVXSKESA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)C1 ZINC001035325801 663679228 /nfs/dbraw/zinc/67/92/28/663679228.db2.gz CRXWMANBKOSWHA-MNOVXSKESA-N 1 1 300.359 -2.381 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035341784 663679597 /nfs/dbraw/zinc/67/95/97/663679597.db2.gz KXGUOFGJYDKMHQ-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035341784 663679601 /nfs/dbraw/zinc/67/96/01/663679601.db2.gz KXGUOFGJYDKMHQ-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035341958 663679821 /nfs/dbraw/zinc/67/98/21/663679821.db2.gz KXGUOFGJYDKMHQ-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035341958 663679822 /nfs/dbraw/zinc/67/98/22/663679822.db2.gz KXGUOFGJYDKMHQ-STQMWFEESA-N 1 1 301.387 -1.484 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)cc1=O ZINC001035401309 663681536 /nfs/dbraw/zinc/68/15/36/663681536.db2.gz YTJLXDDENDFMPL-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)cc1=O ZINC001035401309 663681537 /nfs/dbraw/zinc/68/15/37/663681537.db2.gz YTJLXDDENDFMPL-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435703 663682570 /nfs/dbraw/zinc/68/25/70/663682570.db2.gz MGJLLBMBPVGOAJ-ZYHUDNBSSA-N 1 1 324.381 -1.065 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001035435703 663682573 /nfs/dbraw/zinc/68/25/73/663682573.db2.gz MGJLLBMBPVGOAJ-ZYHUDNBSSA-N 1 1 324.381 -1.065 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](C[C@H]3CCOC3)CCO2)n1 ZINC001035475131 663683774 /nfs/dbraw/zinc/68/37/74/663683774.db2.gz MVKKIDNGQVNNCB-MNOVXSKESA-N 1 1 310.358 -1.323 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)n1 ZINC001035475131 663683776 /nfs/dbraw/zinc/68/37/76/663683776.db2.gz MVKKIDNGQVNNCB-MNOVXSKESA-N 1 1 310.358 -1.323 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)NC1=O ZINC001035467790 663684586 /nfs/dbraw/zinc/68/45/86/663684586.db2.gz RFCIOUPPSAYPRA-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)NC1=O ZINC001035467790 663684587 /nfs/dbraw/zinc/68/45/87/663684587.db2.gz RFCIOUPPSAYPRA-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)NC1=O ZINC001035467796 663684739 /nfs/dbraw/zinc/68/47/39/663684739.db2.gz RFCIOUPPSAYPRA-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)NC1=O ZINC001035467796 663684742 /nfs/dbraw/zinc/68/47/42/663684742.db2.gz RFCIOUPPSAYPRA-WDEREUQCSA-N 1 1 300.359 -1.791 20 0 DAADMO CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035524370 663686017 /nfs/dbraw/zinc/68/60/17/663686017.db2.gz BNKOEEDBRMACLI-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO CCC[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035524370 663686018 /nfs/dbraw/zinc/68/60/18/663686018.db2.gz BNKOEEDBRMACLI-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO CC[N@@H+]1CCO[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001035539378 663686048 /nfs/dbraw/zinc/68/60/48/663686048.db2.gz IOTBKSUALOUDMS-OPASDULOSA-N 1 1 310.354 -1.189 20 0 DAADMO CC[N@H+]1CCO[C@H](CNC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001035539378 663686049 /nfs/dbraw/zinc/68/60/49/663686049.db2.gz IOTBKSUALOUDMS-OPASDULOSA-N 1 1 310.354 -1.189 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035532243 663686171 /nfs/dbraw/zinc/68/61/71/663686171.db2.gz WXGNKBJMNDFTLR-LLVKDONJSA-N 1 1 324.381 -1.077 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001035532243 663686173 /nfs/dbraw/zinc/68/61/73/663686173.db2.gz WXGNKBJMNDFTLR-LLVKDONJSA-N 1 1 324.381 -1.077 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CC2CC2)CCO1)[C@@H]1CC(=O)NC(=O)N1 ZINC001035535722 663686643 /nfs/dbraw/zinc/68/66/43/663686643.db2.gz RHRYOQPLOFHGHD-MNOVXSKESA-N 1 1 310.354 -1.189 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CC(=O)N3CCC3)CCO2)C1 ZINC001035600216 663687166 /nfs/dbraw/zinc/68/71/66/663687166.db2.gz OYLJEXXSPSVQHC-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C)C(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035604800 663687736 /nfs/dbraw/zinc/68/77/36/663687736.db2.gz OWRQGOBQVVPADY-OLZOCXBDSA-N 1 1 312.414 -1.157 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)cn1 ZINC001035620074 663688202 /nfs/dbraw/zinc/68/82/02/663688202.db2.gz DDOBXNRMXZHKAY-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)cn1 ZINC001035620074 663688204 /nfs/dbraw/zinc/68/82/04/663688204.db2.gz DDOBXNRMXZHKAY-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035608084 663688499 /nfs/dbraw/zinc/68/84/99/663688499.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035608084 663688501 /nfs/dbraw/zinc/68/85/01/663688501.db2.gz YALPCUQHJVYNTB-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035608080 663688554 /nfs/dbraw/zinc/68/85/54/663688554.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CCCO)CCO2)C1 ZINC001035608080 663688555 /nfs/dbraw/zinc/68/85/55/663688555.db2.gz YALPCUQHJVYNTB-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035608082 663688630 /nfs/dbraw/zinc/68/86/30/663688630.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(CCCO)CCO2)C1 ZINC001035608082 663688631 /nfs/dbraw/zinc/68/86/31/663688631.db2.gz YALPCUQHJVYNTB-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)c[nH]1 ZINC001035613380 663688990 /nfs/dbraw/zinc/68/89/90/663688990.db2.gz JAFFBEVHJLMSQQ-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)c[nH]1 ZINC001035613380 663688992 /nfs/dbraw/zinc/68/89/92/663688992.db2.gz JAFFBEVHJLMSQQ-LLVKDONJSA-N 1 1 310.354 -1.073 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035612185 663689126 /nfs/dbraw/zinc/68/91/26/663689126.db2.gz ADRXSDWCJVVFDN-MNOVXSKESA-N 1 1 305.400 -1.097 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035612185 663689127 /nfs/dbraw/zinc/68/91/27/663689127.db2.gz ADRXSDWCJVVFDN-MNOVXSKESA-N 1 1 305.400 -1.097 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)c[nH]1 ZINC001035613382 663689332 /nfs/dbraw/zinc/68/93/32/663689332.db2.gz JAFFBEVHJLMSQQ-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)c[nH]1 ZINC001035613382 663689333 /nfs/dbraw/zinc/68/93/33/663689333.db2.gz JAFFBEVHJLMSQQ-NSHDSACASA-N 1 1 310.354 -1.073 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035694976 663689594 /nfs/dbraw/zinc/68/95/94/663689594.db2.gz HXSUXMNBVKWRRW-WDEREUQCSA-N 1 1 322.365 -1.092 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705281 663689628 /nfs/dbraw/zinc/68/96/28/663689628.db2.gz BAJQRSSAHYHJOA-UHFFFAOYSA-N 1 1 307.358 -1.657 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035694975 663689640 /nfs/dbraw/zinc/68/96/40/663689640.db2.gz HXSUXMNBVKWRRW-QWRGUYRKSA-N 1 1 322.365 -1.092 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)n(C)c1=O ZINC001035616828 663689695 /nfs/dbraw/zinc/68/96/95/663689695.db2.gz PNLQNLDRVMFECU-LLVKDONJSA-N 1 1 312.370 -1.463 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)n(C)c1=O ZINC001035616828 663689697 /nfs/dbraw/zinc/68/96/97/663689697.db2.gz PNLQNLDRVMFECU-LLVKDONJSA-N 1 1 312.370 -1.463 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645458 663689723 /nfs/dbraw/zinc/68/97/23/663689723.db2.gz BKJZCEAFVGRBRJ-LLVKDONJSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CC2CC2)CCO1)[C@H]1CCS(=O)(=O)N1 ZINC001035615364 663689856 /nfs/dbraw/zinc/68/98/56/663689856.db2.gz YYPWDXRYRODOJO-NWDGAFQWSA-N 1 1 317.411 -1.095 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC001035695798 663689880 /nfs/dbraw/zinc/68/98/80/663689880.db2.gz ZWMINVXBOYNWGD-ZJUUUORDSA-N 1 1 310.354 -1.107 20 0 DAADMO O=C(Cn1cnnn1)N1CCC2(C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035645962 663689927 /nfs/dbraw/zinc/68/99/27/663689927.db2.gz QPBDTHSBWDAIGL-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035615238 663689933 /nfs/dbraw/zinc/68/99/33/663689933.db2.gz XCYJPFPBHYGXGT-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001035615238 663689934 /nfs/dbraw/zinc/68/99/34/663689934.db2.gz XCYJPFPBHYGXGT-MNOVXSKESA-N 1 1 305.400 -1.095 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)c1nnn(C)n1)CC2 ZINC001035771046 663690133 /nfs/dbraw/zinc/69/01/33/663690133.db2.gz NXJLBUAZBDOMSH-VIFPVBQESA-N 1 1 307.358 -1.378 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035764544 663690140 /nfs/dbraw/zinc/69/01/40/663690140.db2.gz IDEVOODOIZPALU-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782243 663690395 /nfs/dbraw/zinc/69/03/95/663690395.db2.gz OTXLFOWXZJRTTF-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO CNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782267 663690510 /nfs/dbraw/zinc/69/05/10/663690510.db2.gz PDNMUKPFKBZPPD-WDEREUQCSA-N 1 1 323.397 -1.273 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001035798959 663690601 /nfs/dbraw/zinc/69/06/01/663690601.db2.gz VDBOOUCWMHXWNL-WOPDTQHZSA-N 1 1 320.393 -1.079 20 0 DAADMO CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782775 663690756 /nfs/dbraw/zinc/69/07/56/663690756.db2.gz SFKXJSVZUZCLFQ-GHMZBOCLSA-N 1 1 323.397 -1.144 20 0 DAADMO C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036019287 663691070 /nfs/dbraw/zinc/69/10/70/663691070.db2.gz FOAKFQILGWBDDG-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036018648 663691244 /nfs/dbraw/zinc/69/12/44/663691244.db2.gz AFTHOOJUKPTLMI-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036092719 663691657 /nfs/dbraw/zinc/69/16/57/663691657.db2.gz WHPGXDPUOIPDOW-IUCAKERBSA-N 1 1 305.346 -1.031 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036132949 663691773 /nfs/dbraw/zinc/69/17/73/663691773.db2.gz OZLZOBZNZKWLGM-IUCAKERBSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036164932 663691941 /nfs/dbraw/zinc/69/19/41/663691941.db2.gz ZZBXGSRPTFMWLV-NXEZZACHSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036164933 663692009 /nfs/dbraw/zinc/69/20/09/663692009.db2.gz ZZBXGSRPTFMWLV-UWVGGRQHSA-N 1 1 321.385 -1.198 20 0 DAADMO C[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001036252390 663692437 /nfs/dbraw/zinc/69/24/37/663692437.db2.gz YBWYAQYBPYDYLC-VHSXEESVSA-N 1 1 319.373 -1.103 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001036226565 663692459 /nfs/dbraw/zinc/69/24/59/663692459.db2.gz XPBUKRAZHQGGCB-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[N@@H+](CCC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCC(=O)NC1=O ZINC001036603170 663692825 /nfs/dbraw/zinc/69/28/25/663692825.db2.gz CHPIUYQSBGHFSO-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2cnnn2)C1 ZINC001005804575 663692831 /nfs/dbraw/zinc/69/28/31/663692831.db2.gz LVRGIKUWQPOYHP-PWSUYJOCSA-N 1 1 321.385 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001036640700 663693304 /nfs/dbraw/zinc/69/33/04/663693304.db2.gz OEQLZGVNOVZUJJ-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21 ZINC001036641271 663693383 /nfs/dbraw/zinc/69/33/83/663693383.db2.gz XYMCFQUSPMBBKN-GHMZBOCLSA-N 1 1 307.358 -1.658 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000946835492 663693536 /nfs/dbraw/zinc/69/35/36/663693536.db2.gz CSOCXGQPZOOUHL-NSHDSACASA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001005820309 663693719 /nfs/dbraw/zinc/69/37/19/663693719.db2.gz FTBPOPORLLNTJC-NEPJUHHUSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001005816552 663693723 /nfs/dbraw/zinc/69/37/23/663693723.db2.gz DEQRTCLXJFYVNY-GXSJLCMTSA-N 1 1 311.386 -1.193 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001005816565 663693779 /nfs/dbraw/zinc/69/37/79/663693779.db2.gz DEQRTCLXJFYVNY-ONGXEEELSA-N 1 1 311.386 -1.193 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005820316 663693814 /nfs/dbraw/zinc/69/38/14/663693814.db2.gz FTBPOPORLLNTJC-VXGBXAGGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)c2nnn(C)n2)CC1 ZINC001005833521 663694016 /nfs/dbraw/zinc/69/40/16/663694016.db2.gz JNFMYFFDTGCOFX-SECBINFHSA-N 1 1 309.374 -1.119 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855162 663694121 /nfs/dbraw/zinc/69/41/21/663694121.db2.gz RMDYUEVUABCOOW-GXSJLCMTSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2nc[nH]n2)C1 ZINC001005855162 663694123 /nfs/dbraw/zinc/69/41/23/663694123.db2.gz RMDYUEVUABCOOW-GXSJLCMTSA-N 1 1 322.369 -1.288 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCN2CCNC2=O)C1 ZINC001036673015 663694323 /nfs/dbraw/zinc/69/43/23/663694323.db2.gz JTBLZVMEULGOKR-NEPJUHHUSA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)CC[C@@H]21 ZINC001036685196 663694439 /nfs/dbraw/zinc/69/44/39/663694439.db2.gz TYHIXWHGGGLXRH-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001005914062 663695132 /nfs/dbraw/zinc/69/51/32/663695132.db2.gz PQDDKAUOIRATII-LLVKDONJSA-N 1 1 311.386 -1.321 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000948730057 663695365 /nfs/dbraw/zinc/69/53/65/663695365.db2.gz SCQGEFXBAATBRY-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC[NH+](CC(N)=O)CC1 ZINC001005984925 663695525 /nfs/dbraw/zinc/69/55/25/663695525.db2.gz CHUMUCCKUUSKQB-WDEREUQCSA-N 1 1 312.370 -1.573 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)CC[C@@H]2C1 ZINC000946883287 663695906 /nfs/dbraw/zinc/69/59/06/663695906.db2.gz SEJIKOSYARQBOB-TXEJJXNPSA-N 1 1 306.370 -1.066 20 0 DAADMO CC(C)(C)NC(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923433918 663696894 /nfs/dbraw/zinc/69/68/94/663696894.db2.gz YVKFDJQHUHCUSM-UHFFFAOYSA-N 1 1 318.443 -1.180 20 0 DAADMO CN(C(=O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000923434175 663697079 /nfs/dbraw/zinc/69/70/79/663697079.db2.gz LBOAAWADFSUEOE-UHFFFAOYSA-N 1 1 316.427 -1.474 20 0 DAADMO O=S(=O)(C1CN(CCn2cncn2)C1)N1CC[NH2+]CC1 ZINC000923433160 663697203 /nfs/dbraw/zinc/69/72/03/663697203.db2.gz BGVRUMBQJRGJBN-UHFFFAOYSA-N 1 1 300.388 -1.803 20 0 DAADMO CC(C)OC[C@@H](O)CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436412 663697265 /nfs/dbraw/zinc/69/72/65/663697265.db2.gz FKKMTWFDWOUESA-LBPRGKRZSA-N 1 1 321.443 -1.309 20 0 DAADMO CCOC(=O)[C@H](C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437039 663697606 /nfs/dbraw/zinc/69/76/06/663697606.db2.gz MPESAHPBFMJQKJ-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001006116011 663697684 /nfs/dbraw/zinc/69/76/84/663697684.db2.gz FZRVPVPMNXQXKX-UWVGGRQHSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2nnn(C)n2)C1 ZINC001006115990 663697733 /nfs/dbraw/zinc/69/77/33/663697733.db2.gz FZRVPVPMNXQXKX-NXEZZACHSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H](c1nnnn1C)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437447 663697808 /nfs/dbraw/zinc/69/78/08/663697808.db2.gz TXKZCMLHKSCKFN-VIFPVBQESA-N 1 1 315.403 -1.810 20 0 DAADMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001006137017 663698009 /nfs/dbraw/zinc/69/80/09/663698009.db2.gz SKBUPANJSWGUBA-VIFPVBQESA-N 1 1 324.381 -1.164 20 0 DAADMO CN(C(=O)CN1CC(=O)NC1=O)C1CC[NH+](CC(N)=O)CC1 ZINC001006148673 663698367 /nfs/dbraw/zinc/69/83/67/663698367.db2.gz ZYRXYRZUVYKMFL-UHFFFAOYSA-N 1 1 311.342 -2.054 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946918823 663698585 /nfs/dbraw/zinc/69/85/85/663698585.db2.gz SJFMQDWSHDNKKE-GFCCVEGCSA-N 1 1 321.381 -1.216 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190458 663699143 /nfs/dbraw/zinc/69/91/43/663699143.db2.gz YJXJWBRHDKEEDX-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C2CN(C(=O)C(N)=O)C2)C1 ZINC001006190458 663699145 /nfs/dbraw/zinc/69/91/45/663699145.db2.gz YJXJWBRHDKEEDX-MWLCHTKSSA-N 1 1 312.370 -1.845 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000946934428 663699464 /nfs/dbraw/zinc/69/94/64/663699464.db2.gz HVXBRNWADNXXAX-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000946934428 663699465 /nfs/dbraw/zinc/69/94/65/663699465.db2.gz HVXBRNWADNXXAX-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO O=S(=O)(CCn1cccn1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000867485703 663792194 /nfs/dbraw/zinc/79/21/94/663792194.db2.gz YITMGFQBOZBZCU-NWDGAFQWSA-N 1 1 300.384 -1.036 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000742247933 663795487 /nfs/dbraw/zinc/79/54/87/663795487.db2.gz HUPYCVLMDBFNMM-LLVKDONJSA-N 1 1 321.399 -1.905 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000742247933 663795493 /nfs/dbraw/zinc/79/54/93/663795493.db2.gz HUPYCVLMDBFNMM-LLVKDONJSA-N 1 1 321.399 -1.905 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000742247934 663795534 /nfs/dbraw/zinc/79/55/34/663795534.db2.gz HUPYCVLMDBFNMM-NSHDSACASA-N 1 1 321.399 -1.905 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000742247934 663795536 /nfs/dbraw/zinc/79/55/36/663795536.db2.gz HUPYCVLMDBFNMM-NSHDSACASA-N 1 1 321.399 -1.905 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nonc2C)C1 ZINC000804900137 663796842 /nfs/dbraw/zinc/79/68/42/663796842.db2.gz ONOVZEDVVIXCFF-SNVBAGLBSA-N 1 1 311.342 -1.169 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccnn2C)C1 ZINC000804901129 663796890 /nfs/dbraw/zinc/79/68/90/663796890.db2.gz QXZJFDLUZFACBY-GFCCVEGCSA-N 1 1 323.397 -1.084 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@@H+]1C ZINC000748347921 663800566 /nfs/dbraw/zinc/80/05/66/663800566.db2.gz WXYYFNGXIWTNEU-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC[N@H+]1C ZINC000748347921 663800568 /nfs/dbraw/zinc/80/05/68/663800568.db2.gz WXYYFNGXIWTNEU-SNVBAGLBSA-N 1 1 315.399 -1.139 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@@H+]1C ZINC000748348163 663800852 /nfs/dbraw/zinc/80/08/52/663800852.db2.gz HUGJSWHPYPIDOK-SECBINFHSA-N 1 1 301.372 -1.307 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC000748348163 663800854 /nfs/dbraw/zinc/80/08/54/663800854.db2.gz HUGJSWHPYPIDOK-SECBINFHSA-N 1 1 301.372 -1.307 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@@H+]1C ZINC000748348180 663800869 /nfs/dbraw/zinc/80/08/69/663800869.db2.gz HUGJSWHPYPIDOK-VIFPVBQESA-N 1 1 301.372 -1.307 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC[N@H+]1C ZINC000748348180 663800871 /nfs/dbraw/zinc/80/08/71/663800871.db2.gz HUGJSWHPYPIDOK-VIFPVBQESA-N 1 1 301.372 -1.307 20 0 DAADMO CC[NH+]1CCN(C(=O)CNC(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000750734035 663801799 /nfs/dbraw/zinc/80/17/99/663801799.db2.gz KZTGRLLXFRBQNW-UHFFFAOYSA-N 1 1 309.370 -1.125 20 0 DAADMO Cn1c(=O)ccn(CC(=O)OCCC[NH+]2CCOCC2)c1=O ZINC000750882240 663802008 /nfs/dbraw/zinc/80/20/08/663802008.db2.gz QWDCUGXLDRTOMO-UHFFFAOYSA-N 1 1 311.338 -1.188 20 0 DAADMO O=S(=O)(N1CCOCC1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000751419827 663802340 /nfs/dbraw/zinc/80/23/40/663802340.db2.gz XQJHOKHNBJGXDZ-ZDUSSCGKSA-N 1 1 319.427 -1.048 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000751746350 663802930 /nfs/dbraw/zinc/80/29/30/663802930.db2.gz SBEBHWRLXROFCD-QWRGUYRKSA-N 1 1 305.400 -1.143 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N(CCO)CCN1CCOCC1 ZINC000757108180 663807001 /nfs/dbraw/zinc/80/70/01/663807001.db2.gz WYQWIXOMQZNMTL-UHFFFAOYSA-N 1 1 315.414 -1.138 20 0 DAADMO C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[N@@H+]1C ZINC000761072543 663810045 /nfs/dbraw/zinc/81/00/45/663810045.db2.gz TXIMRZMRAGVQDX-VIFPVBQESA-N 1 1 309.370 -1.515 20 0 DAADMO C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[N@H+]1C ZINC000761072543 663810047 /nfs/dbraw/zinc/81/00/47/663810047.db2.gz TXIMRZMRAGVQDX-VIFPVBQESA-N 1 1 309.370 -1.515 20 0 DAADMO COC(=O)c1cn([C@H]2CCC[N@H+](CCS(N)(=O)=O)C2)nn1 ZINC000762622600 663810753 /nfs/dbraw/zinc/81/07/53/663810753.db2.gz IMNAIIZZCWBURF-VIFPVBQESA-N 1 1 317.371 -1.010 20 0 DAADMO COC(=O)c1cn([C@H]2CCC[N@@H+](CCS(N)(=O)=O)C2)nn1 ZINC000762622600 663810756 /nfs/dbraw/zinc/81/07/56/663810756.db2.gz IMNAIIZZCWBURF-VIFPVBQESA-N 1 1 317.371 -1.010 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=S)NCC(N)=O)CC1 ZINC000764506948 663812630 /nfs/dbraw/zinc/81/26/30/663812630.db2.gz ZVOWOBBJUYAHLV-SNVBAGLBSA-N 1 1 313.427 -1.415 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=S)NCC(N)=O)CC1 ZINC000764506899 663812671 /nfs/dbraw/zinc/81/26/71/663812671.db2.gz ZVOWOBBJUYAHLV-JTQLQIEISA-N 1 1 313.427 -1.415 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NN(CCO)C(=O)CC1 ZINC000765491786 663813138 /nfs/dbraw/zinc/81/31/38/663813138.db2.gz PVFKTQFIQRIMIR-LLVKDONJSA-N 1 1 311.386 -1.681 20 0 DAADMO Cn1ncc2c1nc(N1CCC[N@H+](CC(N)=O)CC1)nc2N ZINC000767180541 663814477 /nfs/dbraw/zinc/81/44/77/663814477.db2.gz QXDZQVYQOSIGKI-UHFFFAOYSA-N 1 1 304.358 -1.057 20 0 DAADMO Cn1ncc2c1nc(N1CCC[N@@H+](CC(N)=O)CC1)nc2N ZINC000767180541 663814480 /nfs/dbraw/zinc/81/44/80/663814480.db2.gz QXDZQVYQOSIGKI-UHFFFAOYSA-N 1 1 304.358 -1.057 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770004674 663816498 /nfs/dbraw/zinc/81/64/98/663816498.db2.gz KYNUKBFEUIWERO-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO CCNS(=O)(=O)CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770004674 663816501 /nfs/dbraw/zinc/81/65/01/663816501.db2.gz KYNUKBFEUIWERO-GHMZBOCLSA-N 1 1 322.431 -1.056 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[N@H+](C)CCO1 ZINC000770237157 663816680 /nfs/dbraw/zinc/81/66/80/663816680.db2.gz SJBMFGWIFXVFLQ-MWLCHTKSSA-N 1 1 310.354 -1.467 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000770237157 663816683 /nfs/dbraw/zinc/81/66/83/663816683.db2.gz SJBMFGWIFXVFLQ-MWLCHTKSSA-N 1 1 310.354 -1.467 20 0 DAADMO Cn1nnnc1CCNC(=S)NCCC[NH+]1CCOCC1 ZINC000771538581 663817580 /nfs/dbraw/zinc/81/75/80/663817580.db2.gz HAUXHCNSZQXFFW-UHFFFAOYSA-N 1 1 313.431 -1.061 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](O)C1 ZINC000774180808 663820366 /nfs/dbraw/zinc/82/03/66/663820366.db2.gz QTEMZBQCZPDFTA-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO COC(=O)CC[N@@H+]1CCN(C(=S)NCC(N)=O)[C@H](C)C1 ZINC000774564113 663821016 /nfs/dbraw/zinc/82/10/16/663821016.db2.gz FQTXUMQDCYVTLF-SECBINFHSA-N 1 1 302.400 -1.085 20 0 DAADMO COC(=O)CC[N@H+]1CCN(C(=S)NCC(N)=O)[C@H](C)C1 ZINC000774564113 663821018 /nfs/dbraw/zinc/82/10/18/663821018.db2.gz FQTXUMQDCYVTLF-SECBINFHSA-N 1 1 302.400 -1.085 20 0 DAADMO O=C(NCCn1ccnc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000775098978 663821386 /nfs/dbraw/zinc/82/13/86/663821386.db2.gz IUVQCCLNILJXAU-OLZOCXBDSA-N 1 1 321.381 -1.021 20 0 DAADMO O=C(NCCn1ccnc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000775098980 663821629 /nfs/dbraw/zinc/82/16/29/663821629.db2.gz IUVQCCLNILJXAU-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+]1CCO ZINC000779125987 663824007 /nfs/dbraw/zinc/82/40/07/663824007.db2.gz DODWLDSUTKPWHC-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@H+]1CCO ZINC000779125987 663824009 /nfs/dbraw/zinc/82/40/09/663824009.db2.gz DODWLDSUTKPWHC-SNVBAGLBSA-N 1 1 310.354 -1.777 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C)S(N)(=O)=O ZINC000781971616 663825865 /nfs/dbraw/zinc/82/58/65/663825865.db2.gz WQAIDTJFDLVRAY-VHSXEESVSA-N 1 1 320.415 -1.620 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C)S(N)(=O)=O ZINC000781971607 663825973 /nfs/dbraw/zinc/82/59/73/663825973.db2.gz WQAIDTJFDLVRAY-NXEZZACHSA-N 1 1 320.415 -1.620 20 0 DAADMO CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000782586568 663826436 /nfs/dbraw/zinc/82/64/36/663826436.db2.gz OJCXDUBFYSWSGP-GHMZBOCLSA-N 1 1 312.370 -1.830 20 0 DAADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCS(C)(=O)=O ZINC000788391518 663831590 /nfs/dbraw/zinc/83/15/90/663831590.db2.gz NVIZYVHFYFTYKS-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)C1=O ZINC000793926521 663836190 /nfs/dbraw/zinc/83/61/90/663836190.db2.gz FIQVELSNOANNLT-VHSXEESVSA-N 1 1 308.338 -1.183 20 0 DAADMO C[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)S(N)(=O)=O ZINC000799919541 663839978 /nfs/dbraw/zinc/83/99/78/663839978.db2.gz HDRSLGTUIRMOJI-MXWKQRLJSA-N 1 1 320.415 -1.174 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)cc1=O ZINC001036740054 663841171 /nfs/dbraw/zinc/84/11/71/663841171.db2.gz LWYCSWGJWLLPNU-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036718746 663841334 /nfs/dbraw/zinc/84/13/34/663841334.db2.gz ROSWJGWXNJAQBL-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3ncnn3)CC[C@H]21 ZINC001036716422 663841613 /nfs/dbraw/zinc/84/16/13/663841613.db2.gz FUCXTLSTKOTRKV-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036724131 663841643 /nfs/dbraw/zinc/84/16/43/663841643.db2.gz ALRBLJQPZJPPAO-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3nnn(C)n3)CC[C@H]21 ZINC001036794545 663841853 /nfs/dbraw/zinc/84/18/53/663841853.db2.gz XBQPVSDTOYCPTJ-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036791554 663842192 /nfs/dbraw/zinc/84/21/92/663842192.db2.gz AUWSJEBALJQMPU-STQMWFEESA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806939 663842212 /nfs/dbraw/zinc/84/22/12/663842212.db2.gz VZPVRFQWGWTXKM-GXSJLCMTSA-N 1 1 319.369 -1.084 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nnnn2C2CC2)C1 ZINC001036806939 663842214 /nfs/dbraw/zinc/84/22/14/663842214.db2.gz VZPVRFQWGWTXKM-GXSJLCMTSA-N 1 1 319.369 -1.084 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)ncc1=O ZINC001036776678 663842219 /nfs/dbraw/zinc/84/22/19/663842219.db2.gz OKMQBOZHCACCHQ-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@H]21 ZINC001036802991 663842234 /nfs/dbraw/zinc/84/22/34/663842234.db2.gz MOCCOMCXQQJVSE-GXSJLCMTSA-N 1 1 305.338 -1.208 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036791553 663842247 /nfs/dbraw/zinc/84/22/47/663842247.db2.gz AUWSJEBALJQMPU-QWHCGFSZSA-N 1 1 310.398 -1.667 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)c1=O ZINC001036778473 663842288 /nfs/dbraw/zinc/84/22/88/663842288.db2.gz SYHZGUHWQZLSSA-QWHCGFSZSA-N 1 1 323.397 -1.113 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCN2C(=O)CNC2=O)C1 ZINC001036805833 663842567 /nfs/dbraw/zinc/84/25/67/663842567.db2.gz FXOZCWSRVROICI-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)CC[C@@H]21 ZINC001036842576 663842592 /nfs/dbraw/zinc/84/25/92/663842592.db2.gz RSYROPYFFRFMPR-KOLCDFICSA-N 1 1 322.365 -1.553 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)N2CCOCC2)C1 ZINC001036805861 663842613 /nfs/dbraw/zinc/84/26/13/663842613.db2.gz GMIVKFVIIOOYNY-RYUDHWBXSA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036841855 663842686 /nfs/dbraw/zinc/84/26/86/663842686.db2.gz GOFDVCXVULSKDU-CMPLNLGQSA-N 1 1 309.366 -1.046 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@H]21 ZINC001036802993 663843036 /nfs/dbraw/zinc/84/30/36/663843036.db2.gz MOCCOMCXQQJVSE-MWLCHTKSSA-N 1 1 305.338 -1.208 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)c(=O)n1C ZINC001036882907 663843214 /nfs/dbraw/zinc/84/32/14/663843214.db2.gz UDGDJUYRDKUJKS-CHWSQXEVSA-N 1 1 323.397 -1.195 20 0 DAADMO COC(=O)c1cn(CCNC(=O)CC[NH+]2CCOCC2)nn1 ZINC000803643882 663843698 /nfs/dbraw/zinc/84/36/98/663843698.db2.gz CJHITMWHXITFLD-UHFFFAOYSA-N 1 1 311.342 -1.097 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)n(C)c1=O ZINC001036905443 663844009 /nfs/dbraw/zinc/84/40/09/663844009.db2.gz KEKHHUVJGGQMEC-GHMZBOCLSA-N 1 1 321.381 -1.255 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC[S@](C)=O)C[NH+]1CCOCC1 ZINC000804023415 663844173 /nfs/dbraw/zinc/84/41/73/663844173.db2.gz JNSHJNZJHMTYTM-FIKIJFGZSA-N 1 1 319.427 -1.434 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)nn1 ZINC001036903089 663844235 /nfs/dbraw/zinc/84/42/35/663844235.db2.gz VIOOGRVNMGAVEI-PWSUYJOCSA-N 1 1 322.369 -1.708 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036888174 663844334 /nfs/dbraw/zinc/84/43/34/663844334.db2.gz FEPGGNXIXPDTID-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061935 663845052 /nfs/dbraw/zinc/84/50/52/663845052.db2.gz XWNWKGKGPDCHJC-WOPDTQHZSA-N 1 1 324.381 -1.687 20 0 DAADMO Cn1nncc1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000806389860 663845761 /nfs/dbraw/zinc/84/57/61/663845761.db2.gz BUOFVJGSQKBCGH-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000808019907 663846710 /nfs/dbraw/zinc/84/67/10/663846710.db2.gz LLEJGKCLYIOBAG-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCCc1ccnn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000808019907 663846711 /nfs/dbraw/zinc/84/67/11/663846711.db2.gz LLEJGKCLYIOBAG-YPMHNXCESA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1C[N@H+](C)CCO1 ZINC000808019906 663846859 /nfs/dbraw/zinc/84/68/59/663846859.db2.gz LLEJGKCLYIOBAG-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@H](NC(=O)C(=O)NCCc1ccnn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000808019906 663846862 /nfs/dbraw/zinc/84/68/62/663846862.db2.gz LLEJGKCLYIOBAG-WCQYABFASA-N 1 1 323.397 -1.086 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000809441355 663848171 /nfs/dbraw/zinc/84/81/71/663848171.db2.gz WCXZFGPVHVJQQB-ONGXEEELSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441355 663848174 /nfs/dbraw/zinc/84/81/74/663848174.db2.gz WCXZFGPVHVJQQB-ONGXEEELSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000809441352 663848233 /nfs/dbraw/zinc/84/82/33/663848233.db2.gz WCXZFGPVHVJQQB-GXSJLCMTSA-N 1 1 311.342 -1.170 20 0 DAADMO Cc1nonc1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000809441352 663848235 /nfs/dbraw/zinc/84/82/35/663848235.db2.gz WCXZFGPVHVJQQB-GXSJLCMTSA-N 1 1 311.342 -1.170 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000810390053 663848817 /nfs/dbraw/zinc/84/88/17/663848817.db2.gz AYWMUGAKHXXWRT-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000810390053 663848819 /nfs/dbraw/zinc/84/88/19/663848819.db2.gz AYWMUGAKHXXWRT-UHFFFAOYSA-N 1 1 310.358 -1.331 20 0 DAADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnnn2C)CC1 ZINC000810372717 663848839 /nfs/dbraw/zinc/84/88/39/663848839.db2.gz LDKPUAAXXBGSRP-JTQLQIEISA-N 1 1 310.358 -1.331 20 0 DAADMO CON(C)C(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000812867949 663850390 /nfs/dbraw/zinc/85/03/90/663850390.db2.gz HFLIYBGOCKFSDI-UHFFFAOYSA-N 1 1 312.370 -1.323 20 0 DAADMO Cn1cnn(CCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1=O ZINC000815152669 663851285 /nfs/dbraw/zinc/85/12/85/663851285.db2.gz YAXAUQMPGHZWLT-RYUDHWBXSA-N 1 1 309.370 -1.049 20 0 DAADMO C[N@@H+](C[C@@H](O)CNCCS(=O)(=O)N1CCOCC1)C1CC1 ZINC000818989194 663856037 /nfs/dbraw/zinc/85/60/37/663856037.db2.gz KLFQOXRELYCVSX-ZDUSSCGKSA-N 1 1 321.443 -1.307 20 0 DAADMO O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000819824198 663856430 /nfs/dbraw/zinc/85/64/30/663856430.db2.gz JCZIMJZWZLDKBX-VXGBXAGGSA-N 1 1 324.381 -1.375 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000820263649 663857403 /nfs/dbraw/zinc/85/74/03/663857403.db2.gz GRHZYUHDALUZJY-GARJFASQSA-N 1 1 307.358 -1.660 20 0 DAADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000820729189 663858683 /nfs/dbraw/zinc/85/86/83/663858683.db2.gz VICDDPNMQFVKDZ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC000820729189 663858687 /nfs/dbraw/zinc/85/86/87/663858687.db2.gz VICDDPNMQFVKDZ-GHMZBOCLSA-N 1 1 309.374 -1.270 20 0 DAADMO COCCOCC[N@@H+](C)CCC(=O)NN1CC(=O)N(C)C1=O ZINC000821475637 663860104 /nfs/dbraw/zinc/86/01/04/663860104.db2.gz XODYZLVNZQGTBL-UHFFFAOYSA-N 1 1 316.358 -1.104 20 0 DAADMO CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000822143515 663860508 /nfs/dbraw/zinc/86/05/08/663860508.db2.gz NGUQSDFVTPJFNP-JTQLQIEISA-N 1 1 317.411 -1.110 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+](C)C1 ZINC000822629914 663861548 /nfs/dbraw/zinc/86/15/48/663861548.db2.gz BLBNZZQRQXHHPB-VHSXEESVSA-N 1 1 311.338 -1.398 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)CC[N@@H+](C)C1 ZINC000822631503 663861735 /nfs/dbraw/zinc/86/17/35/663861735.db2.gz ZGPFGJXJCKCALF-UWVGGRQHSA-N 1 1 315.395 -1.219 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+](C)C1 ZINC000822629912 663861837 /nfs/dbraw/zinc/86/18/37/663861837.db2.gz BLBNZZQRQXHHPB-UWVGGRQHSA-N 1 1 311.338 -1.398 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823783247 663862294 /nfs/dbraw/zinc/86/22/94/663862294.db2.gz GSYQQJPAJGZHFE-GRYCIOLGSA-N 1 1 321.385 -1.412 20 0 DAADMO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000823276231 663862634 /nfs/dbraw/zinc/86/26/34/663862634.db2.gz NDRCZMGYCSAFRW-GARJFASQSA-N 1 1 315.395 -1.548 20 0 DAADMO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)[C@@H]2C1 ZINC000823276231 663862635 /nfs/dbraw/zinc/86/26/35/663862635.db2.gz NDRCZMGYCSAFRW-GARJFASQSA-N 1 1 315.395 -1.548 20 0 DAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCO[C@@H](Cn2ccnn2)C1 ZINC000824664968 663863291 /nfs/dbraw/zinc/86/32/91/663863291.db2.gz DWAXMYXTNFJHOQ-ZIAGYGMSSA-N 1 1 320.397 -1.105 20 0 DAADMO C[C@@]1(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCS(=O)(=O)N1 ZINC000824019230 663863321 /nfs/dbraw/zinc/86/33/21/663863321.db2.gz QJNSOGXIYPAELA-YPMHNXCESA-N 1 1 317.411 -1.264 20 0 DAADMO C[C@@]1(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCS(=O)(=O)N1 ZINC000824019230 663863326 /nfs/dbraw/zinc/86/33/26/663863326.db2.gz QJNSOGXIYPAELA-YPMHNXCESA-N 1 1 317.411 -1.264 20 0 DAADMO COC1(OC)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H]1O ZINC000824068630 663863436 /nfs/dbraw/zinc/86/34/36/663863436.db2.gz BNGWDEQULRSQBZ-OLZOCXBDSA-N 1 1 313.398 -1.041 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000824740062 663863460 /nfs/dbraw/zinc/86/34/60/663863460.db2.gz BNQFUJDPHUFJLV-GHMZBOCLSA-N 1 1 320.415 -1.638 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000826106463 663865713 /nfs/dbraw/zinc/86/57/13/663865713.db2.gz BARIVESEFMXDBT-CQSZACIVSA-N 1 1 308.338 -1.064 20 0 DAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414305 663867867 /nfs/dbraw/zinc/86/78/67/663867867.db2.gz SQAFTUSCUGBNJO-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)CC1 ZINC000827414305 663867871 /nfs/dbraw/zinc/86/78/71/663867871.db2.gz SQAFTUSCUGBNJO-PWSUYJOCSA-N 1 1 323.397 -1.131 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000827318084 663867976 /nfs/dbraw/zinc/86/79/76/663867976.db2.gz DRNAXDVLZBVMQC-ZJUUUORDSA-N 1 1 308.338 -1.040 20 0 DAADMO C[C@]1(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCS(=O)(=O)N1 ZINC000827528080 663868030 /nfs/dbraw/zinc/86/80/30/663868030.db2.gz GWWLIAPRUYRNTA-ZYHUDNBSSA-N 1 1 305.400 -1.359 20 0 DAADMO C[N@@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@@H]1CO ZINC000827983605 663868722 /nfs/dbraw/zinc/86/87/22/663868722.db2.gz OGMUVXKBOWSPRT-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[N@H+]1CCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C[C@@H]1CO ZINC000827983605 663868724 /nfs/dbraw/zinc/86/87/24/663868724.db2.gz OGMUVXKBOWSPRT-PWSUYJOCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@]1(CC(=O)NCC[N@H+]2CC[C@H](O)C2)CCS(=O)(=O)N1 ZINC000827749182 663868742 /nfs/dbraw/zinc/86/87/42/663868742.db2.gz GWWLIAPRUYRNTA-JQWIXIFHSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828510435 663869736 /nfs/dbraw/zinc/86/97/36/663869736.db2.gz IMSVELFLVZXCSI-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828510439 663869894 /nfs/dbraw/zinc/86/98/94/663869894.db2.gz IMSVELFLVZXCSI-SRVKXCTJSA-N 1 1 321.385 -1.270 20 0 DAADMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961364 663870305 /nfs/dbraw/zinc/87/03/05/663870305.db2.gz WGZCXKFQRKEOFV-HBNTYKKESA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000828961364 663870308 /nfs/dbraw/zinc/87/03/08/663870308.db2.gz WGZCXKFQRKEOFV-HBNTYKKESA-N 1 1 315.395 -1.405 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000829751039 663871112 /nfs/dbraw/zinc/87/11/12/663871112.db2.gz WQOYFLJZCHYFLX-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO NC1=CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)N1 ZINC000829831686 663871267 /nfs/dbraw/zinc/87/12/67/663871267.db2.gz QROBZKJUTQRHDJ-GFCCVEGCSA-N 1 1 323.397 -1.153 20 0 DAADMO CN1CCn2nc(C(=O)NC[C@@H]3CC[N@@H+]3C)cc2S1(=O)=O ZINC000830135151 663872067 /nfs/dbraw/zinc/87/20/67/663872067.db2.gz LEUCQACQBJZZOD-VIFPVBQESA-N 1 1 313.383 -1.049 20 0 DAADMO CN1CCn2nc(C(=O)NC[C@@H]3CC[N@H+]3C)cc2S1(=O)=O ZINC000830135151 663872070 /nfs/dbraw/zinc/87/20/70/663872070.db2.gz LEUCQACQBJZZOD-VIFPVBQESA-N 1 1 313.383 -1.049 20 0 DAADMO CCO[C@H](CNC(=O)C1(OC)CS(=O)(=O)C1)C[NH+](C)C ZINC000831695563 663873753 /nfs/dbraw/zinc/87/37/53/663873753.db2.gz MXJULTRLJFKFDC-SNVBAGLBSA-N 1 1 308.400 -1.117 20 0 DAADMO C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000834692095 663875676 /nfs/dbraw/zinc/87/56/76/663875676.db2.gz ZQFOCOUCMFXIAA-IJLUTSLNSA-N 1 1 324.381 -1.388 20 0 DAADMO CC1=C(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)Cn2nnnc2N1C ZINC000837192402 663876145 /nfs/dbraw/zinc/87/61/45/663876145.db2.gz STALPMPKCIQQJF-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+](CCO)C[C@H]2C)Cn2nnnc2N1C ZINC000837192402 663876147 /nfs/dbraw/zinc/87/61/47/663876147.db2.gz STALPMPKCIQQJF-SNVBAGLBSA-N 1 1 321.385 -1.078 20 0 DAADMO C[N@H+]1CC[C@](O)(CNC(=O)C(F)(F)C(=O)N2CCOCC2)C1 ZINC000836204890 663876303 /nfs/dbraw/zinc/87/63/03/663876303.db2.gz AARNYMBTVIFVPT-LBPRGKRZSA-N 1 1 321.324 -1.337 20 0 DAADMO CO[C@@H](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842513910 663877041 /nfs/dbraw/zinc/87/70/41/663877041.db2.gz RBJAGHKLSICUQR-JTQLQIEISA-N 1 1 305.400 -1.143 20 0 DAADMO Cn1cc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000843055105 663877815 /nfs/dbraw/zinc/87/78/15/663877815.db2.gz RDQQMMCFCZMZQE-UHFFFAOYSA-N 1 1 300.388 -1.766 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)S1(=O)=O ZINC000843777728 663878998 /nfs/dbraw/zinc/87/89/98/663878998.db2.gz BLXZOMACLNFVAO-QJPTWQEYSA-N 1 1 317.411 -1.000 20 0 DAADMO CC1=C(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)Cn2nnnc2N1C ZINC000844003509 663879953 /nfs/dbraw/zinc/87/99/53/663879953.db2.gz SMGGKEWIJCQMQD-LLVKDONJSA-N 1 1 319.369 -1.326 20 0 DAADMO CC1=C(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)Cn2nnnc2N1C ZINC000844003509 663879955 /nfs/dbraw/zinc/87/99/55/663879955.db2.gz SMGGKEWIJCQMQD-LLVKDONJSA-N 1 1 319.369 -1.326 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCS(=O)(=O)N1 ZINC000845344513 663882655 /nfs/dbraw/zinc/88/26/55/663882655.db2.gz XCHKVLDLPSTADI-GMTAPVOTSA-N 1 1 303.384 -1.343 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCS(=O)(=O)N1 ZINC000845344508 663882854 /nfs/dbraw/zinc/88/28/54/663882854.db2.gz XCHKVLDLPSTADI-AXFHLTTASA-N 1 1 303.384 -1.343 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)OCCC[NH+]1CCOCC1 ZINC000845200617 663882945 /nfs/dbraw/zinc/88/29/45/663882945.db2.gz WUMMNLVVCHZIRX-UHFFFAOYSA-N 1 1 323.415 -1.010 20 0 DAADMO CCON(C)C(=O)CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847392522 663889539 /nfs/dbraw/zinc/88/95/39/663889539.db2.gz YKCZBWFPTQFJJS-WDEREUQCSA-N 1 1 300.359 -1.143 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(=O)n1C ZINC000847406522 663889715 /nfs/dbraw/zinc/88/97/15/663889715.db2.gz CUSXIMMUHBOWAU-NWDGAFQWSA-N 1 1 309.370 -1.130 20 0 DAADMO CC1=C(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)Cn2nnnc2N1C ZINC000848307677 663891392 /nfs/dbraw/zinc/89/13/92/663891392.db2.gz ZYSQGKMDYJMVHO-WDEREUQCSA-N 1 1 319.369 -1.326 20 0 DAADMO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000848637414 663892090 /nfs/dbraw/zinc/89/20/90/663892090.db2.gz PTUCGCQCFOULDM-RWMBFGLXSA-N 1 1 310.398 -1.539 20 0 DAADMO Cn1cccc1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848930980 663893084 /nfs/dbraw/zinc/89/30/84/663893084.db2.gz AWWFYDULRKLXHK-QWHCGFSZSA-N 1 1 306.366 -1.081 20 0 DAADMO NC(=O)[C@](O)(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000851881399 663897012 /nfs/dbraw/zinc/89/70/12/663897012.db2.gz LDVZRVKVPYPLTC-ABAIWWIYSA-N 1 1 318.333 -1.405 20 0 DAADMO NC(=O)[C@](O)(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000851881399 663897014 /nfs/dbraw/zinc/89/70/14/663897014.db2.gz LDVZRVKVPYPLTC-ABAIWWIYSA-N 1 1 318.333 -1.405 20 0 DAADMO Cc1nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)no1 ZINC000857766163 663908787 /nfs/dbraw/zinc/90/87/87/663908787.db2.gz MZDYSUCYTGOLQK-UHFFFAOYSA-N 1 1 315.355 -1.563 20 0 DAADMO CON(C)C(=O)[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000858210262 663909133 /nfs/dbraw/zinc/90/91/33/663909133.db2.gz KPDSOPDDMFAZGA-QWRGUYRKSA-N 1 1 301.391 -1.060 20 0 DAADMO CON(C)C(=O)[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000858210261 663909204 /nfs/dbraw/zinc/90/92/04/663909204.db2.gz KPDSOPDDMFAZGA-MNOVXSKESA-N 1 1 301.391 -1.060 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000858930791 663910678 /nfs/dbraw/zinc/91/06/78/663910678.db2.gz PLVWXMSYQJFTQI-UHFFFAOYSA-N 1 1 316.383 -1.030 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cn1 ZINC000860160576 663914128 /nfs/dbraw/zinc/91/41/28/663914128.db2.gz XFWWAFDNPVUJQM-MWLCHTKSSA-N 1 1 314.367 -1.197 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cn1 ZINC000860160576 663914134 /nfs/dbraw/zinc/91/41/34/663914134.db2.gz XFWWAFDNPVUJQM-MWLCHTKSSA-N 1 1 314.367 -1.197 20 0 DAADMO CS(=O)(=O)NCCNC(=S)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863236034 663923497 /nfs/dbraw/zinc/92/34/97/663923497.db2.gz DYGSLSOKGXWPKO-SECBINFHSA-N 1 1 310.445 -1.934 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000864082526 663928562 /nfs/dbraw/zinc/92/85/62/663928562.db2.gz WALJAMHCOHAQAC-DDTOSNHZSA-N 1 1 313.354 -1.221 20 0 DAADMO COCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864352148 663929006 /nfs/dbraw/zinc/92/90/06/663929006.db2.gz SNGQNNZIFRTTPV-AEJSXWLSSA-N 1 1 309.322 -1.693 20 0 DAADMO Cn1nnnc1CC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000866661404 663932018 /nfs/dbraw/zinc/93/20/18/663932018.db2.gz ITNUSZGMFIBONH-LBPRGKRZSA-N 1 1 307.402 -1.104 20 0 DAADMO Cn1nnnc1CC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000866661404 663932022 /nfs/dbraw/zinc/93/20/22/663932022.db2.gz ITNUSZGMFIBONH-LBPRGKRZSA-N 1 1 307.402 -1.104 20 0 DAADMO CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000867625473 663932296 /nfs/dbraw/zinc/93/22/96/663932296.db2.gz JCUOUNHHCQPBHF-RYUDHWBXSA-N 1 1 308.382 -1.160 20 0 DAADMO COCCN1CCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923604198 663932386 /nfs/dbraw/zinc/93/23/86/663932386.db2.gz DAFKIRNYWZCULD-GFCCVEGCSA-N 1 1 306.432 -1.163 20 0 DAADMO O=C(C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000868419063 663934101 /nfs/dbraw/zinc/93/41/01/663934101.db2.gz UJKSOSVKVFCCNB-REWJHTLYSA-N 1 1 322.409 -1.383 20 0 DAADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1 ZINC000923614230 663935548 /nfs/dbraw/zinc/93/55/48/663935548.db2.gz PCCZNACXJBNDIS-GFCCVEGCSA-N 1 1 302.444 -1.000 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000923607636 663935603 /nfs/dbraw/zinc/93/56/03/663935603.db2.gz FEAQZKWXVUTMDL-LBPRGKRZSA-N 1 1 315.399 -1.266 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c(=O)n(C)c1=O ZINC000869780951 663936391 /nfs/dbraw/zinc/93/63/91/663936391.db2.gz YRACOZDDGYWWFI-JTQLQIEISA-N 1 1 324.381 -1.341 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)S1(=O)=O ZINC000869776795 663936779 /nfs/dbraw/zinc/93/67/79/663936779.db2.gz VSWKEQYYVPJJLC-QWRGUYRKSA-N 1 1 319.427 -1.018 20 0 DAADMO O=S(=O)(NCCCN1CCC(O)CC1)N1CC[NH2+]CC1 ZINC000923619845 663936808 /nfs/dbraw/zinc/93/68/08/663936808.db2.gz ZUSVJQHANCOVPJ-UHFFFAOYSA-N 1 1 306.432 -1.427 20 0 DAADMO O=C(NC[C@@]12COC(=O)N1CCOC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000871409853 663938209 /nfs/dbraw/zinc/93/82/09/663938209.db2.gz UEDZVAGMBVBLSJ-IUODEOHRSA-N 1 1 324.381 -1.286 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C[C@H]2C1=O ZINC000871528407 663938699 /nfs/dbraw/zinc/93/86/99/663938699.db2.gz KOGACPQLSDVZMJ-TUAOUCFPSA-N 1 1 306.366 -1.551 20 0 DAADMO C[N@H+](C[C@H](O)CNC[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232932 663939024 /nfs/dbraw/zinc/93/90/24/663939024.db2.gz JUDYVAAPSHPDQH-UKRRQHHQSA-N 1 1 313.398 -1.341 20 0 DAADMO C[N@@H+](C[C@H](O)CNC[C@]12COCCN1C(=O)COC2)C1CC1 ZINC000872232932 663939028 /nfs/dbraw/zinc/93/90/28/663939028.db2.gz JUDYVAAPSHPDQH-UKRRQHHQSA-N 1 1 313.398 -1.341 20 0 DAADMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872616451 663940196 /nfs/dbraw/zinc/94/01/96/663940196.db2.gz DWABQCLKFJZSJR-SDDRHHMPSA-N 1 1 319.427 -1.066 20 0 DAADMO CNC(=O)CN(CC(=O)NC)C(=O)CC[NH+]1CCOCC1 ZINC000874897443 663942148 /nfs/dbraw/zinc/94/21/48/663942148.db2.gz KCDLIOQBIYTUEB-UHFFFAOYSA-N 1 1 300.359 -1.971 20 0 DAADMO COC(=O)C1(O)CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000875237118 663942599 /nfs/dbraw/zinc/94/25/99/663942599.db2.gz IAGUWMOWVXZNFK-WDEREUQCSA-N 1 1 313.354 -1.221 20 0 DAADMO C[NH+]1CCN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC000876195007 663945642 /nfs/dbraw/zinc/94/56/42/663945642.db2.gz DRQRTTFNBXNLQR-CQSZACIVSA-N 1 1 312.370 -1.429 20 0 DAADMO COC[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CNCCO1 ZINC000876849008 663948725 /nfs/dbraw/zinc/94/87/25/663948725.db2.gz WIBSQWIQWRNGEA-ZFWWWQNUSA-N 1 1 312.414 -1.503 20 0 DAADMO C[NH+](C)C[C@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000876997012 663949107 /nfs/dbraw/zinc/94/91/07/663949107.db2.gz KVQJALYNYXUZKC-LBPRGKRZSA-N 1 1 312.418 -1.955 20 0 DAADMO COC[C@@]1(C(=O)NCCN(C)CCC[NH+](C)C)CNCCO1 ZINC000876961730 663949563 /nfs/dbraw/zinc/94/95/63/663949563.db2.gz WKZSDRWHCFZVJN-OAHLLOKOSA-N 1 1 316.446 -1.009 20 0 DAADMO NC(=O)c1ccc(CC[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000878194053 663950785 /nfs/dbraw/zinc/95/07/85/663950785.db2.gz DVMZVIHURRTKSJ-ZDUSSCGKSA-N 1 1 316.361 -1.029 20 0 DAADMO NC(=O)c1ccc(CC[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000878194053 663950786 /nfs/dbraw/zinc/95/07/86/663950786.db2.gz DVMZVIHURRTKSJ-ZDUSSCGKSA-N 1 1 316.361 -1.029 20 0 DAADMO O=S(=O)(N1CC[NH2+]CC1)N1CCN(c2nccnn2)CC1 ZINC000923660511 663951019 /nfs/dbraw/zinc/95/10/19/663951019.db2.gz WIDVMLJCFXCKLQ-UHFFFAOYSA-N 1 1 313.387 -1.856 20 0 DAADMO C[NH+](C)CC(=O)N1CCN(CC(=O)N=S(C)(C)=O)CC1 ZINC000877958225 663951209 /nfs/dbraw/zinc/95/12/09/663951209.db2.gz KLGQBRUWAKUJJI-UHFFFAOYSA-N 1 1 304.416 -1.054 20 0 DAADMO CCO[C@@H](CNS(=O)(=O)C[C@H]1CNCCO1)C[NH+](C)C ZINC000923676474 663951842 /nfs/dbraw/zinc/95/18/42/663951842.db2.gz PPNLODPXLIVFRZ-NWDGAFQWSA-N 1 1 309.432 -1.139 20 0 DAADMO C[C@@H]1[C@@H](C)[N@@H+](CCn2cnnn2)CCN1CCn1cnnn1 ZINC000878997500 663952985 /nfs/dbraw/zinc/95/29/85/663952985.db2.gz GRVVYKNQPHWAHJ-VXGBXAGGSA-N 1 1 306.378 -1.246 20 0 DAADMO CN(C)[S@](C)(=O)=NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000878845899 663953069 /nfs/dbraw/zinc/95/30/69/663953069.db2.gz QFGKAVNTAVTNHX-GLXKHTEVSA-N 1 1 304.416 -1.162 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1CCCCS1(=O)=O ZINC000878810044 663953098 /nfs/dbraw/zinc/95/30/98/663953098.db2.gz RPOJSMSFPAUSAZ-LBPRGKRZSA-N 1 1 318.443 -1.226 20 0 DAADMO CN(C)[S@@](C)(=O)=NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000878845921 663953232 /nfs/dbraw/zinc/95/32/32/663953232.db2.gz QFGKAVNTAVTNHX-JHTDMNASSA-N 1 1 304.416 -1.162 20 0 DAADMO O=C1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352765 663953266 /nfs/dbraw/zinc/95/32/66/663953266.db2.gz CGPIGPRUUFJTNB-UKKRHICBSA-N 1 1 320.349 -1.645 20 0 DAADMO O=C1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC(=O)NC2=O)C(=O)N1 ZINC000879352765 663953268 /nfs/dbraw/zinc/95/32/68/663953268.db2.gz CGPIGPRUUFJTNB-UKKRHICBSA-N 1 1 320.349 -1.645 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[N@@H+]1CCO ZINC000879568791 663953832 /nfs/dbraw/zinc/95/38/32/663953832.db2.gz ZAELDWZHKHCIFF-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCCS2(=O)=O)CC[N@H+]1CCO ZINC000879568791 663953839 /nfs/dbraw/zinc/95/38/39/663953839.db2.gz ZAELDWZHKHCIFF-GFCCVEGCSA-N 1 1 319.427 -1.063 20 0 DAADMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879719806 663954089 /nfs/dbraw/zinc/95/40/89/663954089.db2.gz UFDOQIUBNIUENM-MFKMUULPSA-N 1 1 313.354 -1.355 20 0 DAADMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879719806 663954099 /nfs/dbraw/zinc/95/40/99/663954099.db2.gz UFDOQIUBNIUENM-MFKMUULPSA-N 1 1 313.354 -1.355 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879535831 663954323 /nfs/dbraw/zinc/95/43/23/663954323.db2.gz SXAWCGUCVFEUOZ-OUAUKWLOSA-N 1 1 323.349 -1.303 20 0 DAADMO CCOC(=O)CCCNC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693477 663954657 /nfs/dbraw/zinc/95/46/57/663954657.db2.gz PGTUDQHTPLPPKV-TXEJJXNPSA-N 1 1 302.371 -1.022 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535658 663954673 /nfs/dbraw/zinc/95/46/73/663954673.db2.gz QPRODLKRPGWQIE-FIQHERPVSA-N 1 1 300.355 -1.055 20 0 DAADMO CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CCS(N)(=O)=O)CC1 ZINC000880080847 663955679 /nfs/dbraw/zinc/95/56/79/663955679.db2.gz GIQAXCNOJVKKKB-LLVKDONJSA-N 1 1 306.432 -1.241 20 0 DAADMO CC(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC000880068721 663955497 /nfs/dbraw/zinc/95/54/97/663955497.db2.gz HNWHYRUQMHCCOL-LSDHHAIUSA-N 1 1 324.425 -1.182 20 0 DAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(=O)NCC12COC2 ZINC000880402401 663956065 /nfs/dbraw/zinc/95/60/65/663956065.db2.gz WBSJFTOAERLPLW-GFCCVEGCSA-N 1 1 301.387 -1.484 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000880558142 663956277 /nfs/dbraw/zinc/95/62/77/663956277.db2.gz KLNBEBKKMLTVBA-CQSZACIVSA-N 1 1 313.354 -1.713 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000880558142 663956280 /nfs/dbraw/zinc/95/62/80/663956280.db2.gz KLNBEBKKMLTVBA-CQSZACIVSA-N 1 1 313.354 -1.713 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000880561260 663956362 /nfs/dbraw/zinc/95/63/62/663956362.db2.gz KHFFDENTMCYPRK-CQSZACIVSA-N 1 1 310.354 -1.012 20 0 DAADMO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000880561260 663956363 /nfs/dbraw/zinc/95/63/63/663956363.db2.gz KHFFDENTMCYPRK-CQSZACIVSA-N 1 1 310.354 -1.012 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880568267 663956603 /nfs/dbraw/zinc/95/66/03/663956603.db2.gz VPQCUBLLESUXQK-QMTHXVAHSA-N 1 1 314.338 -1.240 20 0 DAADMO COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@](O)(C(=O)OC)C2)C1=O ZINC000880568267 663956606 /nfs/dbraw/zinc/95/66/06/663956606.db2.gz VPQCUBLLESUXQK-QMTHXVAHSA-N 1 1 314.338 -1.240 20 0 DAADMO O=C(CN1CCCCS1(=O)=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000880619719 663956681 /nfs/dbraw/zinc/95/66/81/663956681.db2.gz FSIZWLHOKKGWOP-NWDGAFQWSA-N 1 1 317.411 -1.311 20 0 DAADMO CN(C)S(=O)(=O)CCS(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000881812365 663957635 /nfs/dbraw/zinc/95/76/35/663957635.db2.gz GWMQEHQQXDIYAN-JTQLQIEISA-N 1 1 313.445 -1.109 20 0 DAADMO CC[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000882484422 663959726 /nfs/dbraw/zinc/95/97/26/663959726.db2.gz ZSHRWXSIFLQDPH-JTQLQIEISA-N 1 1 315.399 -1.091 20 0 DAADMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC000882764488 663960949 /nfs/dbraw/zinc/96/09/49/663960949.db2.gz WLNJKFHUMVSOLJ-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO Cc1c(S(=O)(=O)NCC[N@H+](C)CCOCCO)cnn1C ZINC000882755149 663960763 /nfs/dbraw/zinc/96/07/63/663960763.db2.gz ZAMSIRIAFYUOKI-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO Cc1c(S(=O)(=O)NCC[N@@H+](C)CCOCCO)cnn1C ZINC000882755149 663960767 /nfs/dbraw/zinc/96/07/67/663960767.db2.gz ZAMSIRIAFYUOKI-UHFFFAOYSA-N 1 1 320.415 -1.052 20 0 DAADMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC000882764488 663960948 /nfs/dbraw/zinc/96/09/48/663960948.db2.gz WLNJKFHUMVSOLJ-SNVBAGLBSA-N 1 1 313.445 -1.109 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CC(O)(c3ncnn3C)C2)C1 ZINC000883436553 663961516 /nfs/dbraw/zinc/96/15/16/663961516.db2.gz VWGZERJDJQAFNH-LLVKDONJSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@@H]1CO[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000884344416 663964077 /nfs/dbraw/zinc/96/40/77/663964077.db2.gz FPWRHXNQNIJIIS-JQWIXIFHSA-N 1 1 317.411 -1.143 20 0 DAADMO COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884642915 663965665 /nfs/dbraw/zinc/96/56/65/663965665.db2.gz SOWDPHZJFJTRGY-FRRDWIJNSA-N 1 1 310.398 -1.214 20 0 DAADMO CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000884722173 663966887 /nfs/dbraw/zinc/96/68/87/663966887.db2.gz LFSKHYYJWDKMHM-BDAKNGLRSA-N 1 1 318.324 -1.082 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)CC[C@H]21 ZINC000884816197 663967769 /nfs/dbraw/zinc/96/77/69/663967769.db2.gz WEYPVGBONSDKII-FRRDWIJNSA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCCN3)CC[C@H]21 ZINC000884816197 663967774 /nfs/dbraw/zinc/96/77/74/663967774.db2.gz WEYPVGBONSDKII-FRRDWIJNSA-N 1 1 310.398 -1.356 20 0 DAADMO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000884909171 663967930 /nfs/dbraw/zinc/96/79/30/663967930.db2.gz RWTPVWBCIUXRLZ-XDQVBPFNSA-N 1 1 324.425 -1.103 20 0 DAADMO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)CC[C@H]21 ZINC000884816199 663967944 /nfs/dbraw/zinc/96/79/44/663967944.db2.gz WEYPVGBONSDKII-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCCN3)CC[C@H]21 ZINC000884816199 663967946 /nfs/dbraw/zinc/96/79/46/663967946.db2.gz WEYPVGBONSDKII-JHJVBQTASA-N 1 1 310.398 -1.356 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000885302495 663968788 /nfs/dbraw/zinc/96/87/88/663968788.db2.gz XIJVCEMQAUAVDD-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000885302495 663968790 /nfs/dbraw/zinc/96/87/90/663968790.db2.gz XIJVCEMQAUAVDD-MNOVXSKESA-N 1 1 305.400 -1.156 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885886221 663970009 /nfs/dbraw/zinc/97/00/09/663970009.db2.gz TWORKAZKEKNHHQ-LLVKDONJSA-N 1 1 320.415 -1.590 20 0 DAADMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886182622 663971462 /nfs/dbraw/zinc/97/14/62/663971462.db2.gz LFKDWWDLKHCTFF-RYUDHWBXSA-N 1 1 314.411 -1.026 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886179978 663971556 /nfs/dbraw/zinc/97/15/56/663971556.db2.gz GRFDFCHFIMDGEH-MNOVXSKESA-N 1 1 302.400 -1.311 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189971 663971883 /nfs/dbraw/zinc/97/18/83/663971883.db2.gz XGKSYHUXLLYDHB-GHMZBOCLSA-N 1 1 318.399 -1.932 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000886189971 663971887 /nfs/dbraw/zinc/97/18/87/663971887.db2.gz XGKSYHUXLLYDHB-GHMZBOCLSA-N 1 1 318.399 -1.932 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189973 663972564 /nfs/dbraw/zinc/97/25/64/663972564.db2.gz XGKSYHUXLLYDHB-QWRGUYRKSA-N 1 1 318.399 -1.932 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000886189973 663972568 /nfs/dbraw/zinc/97/25/68/663972568.db2.gz XGKSYHUXLLYDHB-QWRGUYRKSA-N 1 1 318.399 -1.932 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1=O ZINC000889743020 663977352 /nfs/dbraw/zinc/97/73/52/663977352.db2.gz DABKUTXQKYTNNJ-NEPJUHHUSA-N 1 1 324.381 -1.062 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889770060 663977367 /nfs/dbraw/zinc/97/73/67/663977367.db2.gz PDPKXSRFBAFJFE-SRVKXCTJSA-N 1 1 319.427 -1.018 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1=O ZINC000889743607 663977426 /nfs/dbraw/zinc/97/74/26/663977426.db2.gz HMOARVPKSPEGNS-XQQFMLRXSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)C1 ZINC000889638979 663977493 /nfs/dbraw/zinc/97/74/93/663977493.db2.gz CAKLSESURLRWSZ-OAHLLOKOSA-N 1 1 322.413 -1.263 20 0 DAADMO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930142491 663977990 /nfs/dbraw/zinc/97/79/90/663977990.db2.gz ILDQZSZZSWTBGW-NEPJUHHUSA-N 1 1 302.371 -1.586 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889775159 663978071 /nfs/dbraw/zinc/97/80/71/663978071.db2.gz LPUDPYGUZHELRY-RYUDHWBXSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743158 663978102 /nfs/dbraw/zinc/97/81/02/663978102.db2.gz DHRGAAKMIUOZCO-QWHCGFSZSA-N 1 1 310.398 -1.524 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)C1 ZINC000890166044 663978453 /nfs/dbraw/zinc/97/84/53/663978453.db2.gz WBNSKDDAYQVBIM-CKYFFXLPSA-N 1 1 305.400 -1.072 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000924229151 663979654 /nfs/dbraw/zinc/97/96/54/663979654.db2.gz AZNFVRZCSMVYFW-ZYHUDNBSSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C)S(=O)(=O)C1(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000924229151 663979658 /nfs/dbraw/zinc/97/96/58/663979658.db2.gz AZNFVRZCSMVYFW-ZYHUDNBSSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC000923716525 663979918 /nfs/dbraw/zinc/97/99/18/663979918.db2.gz FVBPTRWMMJNTEP-MXWKQRLJSA-N 1 1 323.440 -1.356 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)CC1 ZINC000925277037 663980360 /nfs/dbraw/zinc/98/03/60/663980360.db2.gz APFLTBQHURCAKQ-AAEUAGOBSA-N 1 1 324.381 -1.062 20 0 DAADMO C[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)CC1 ZINC000925278970 663980447 /nfs/dbraw/zinc/98/04/47/663980447.db2.gz KIWNXAMHGCJPGP-MNOVXSKESA-N 1 1 310.354 -1.452 20 0 DAADMO NC(=O)C(=O)NC1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000947002635 663980505 /nfs/dbraw/zinc/98/05/05/663980505.db2.gz LDYGDEXWAKTAIL-VXGBXAGGSA-N 1 1 324.381 -1.558 20 0 DAADMO CN(CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000925414692 663981767 /nfs/dbraw/zinc/98/17/67/663981767.db2.gz BBPIPGZOODUAKX-NWDGAFQWSA-N 1 1 313.402 -1.482 20 0 DAADMO CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CCN(C2CC2)C1 ZINC000926330984 663982837 /nfs/dbraw/zinc/98/28/37/663982837.db2.gz CZBXYGLWHMZQKG-XJKSGUPXSA-N 1 1 324.425 -1.006 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC[C@H]1C[NH3+] ZINC000926385918 663983578 /nfs/dbraw/zinc/98/35/78/663983578.db2.gz AQQVHPKOSDPVMD-ZOBORPQBSA-N 1 1 324.425 -1.293 20 0 DAADMO [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000926413703 663984733 /nfs/dbraw/zinc/98/47/33/663984733.db2.gz QNGJMGPIJVVYML-XJKSGUPXSA-N 1 1 322.409 -1.229 20 0 DAADMO C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947032435 663984932 /nfs/dbraw/zinc/98/49/32/663984932.db2.gz OJSUATSHQQBANG-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)N1CCC1 ZINC000947032436 663985045 /nfs/dbraw/zinc/98/50/45/663985045.db2.gz OJSUATSHQQBANG-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085514 663985695 /nfs/dbraw/zinc/98/56/95/663985695.db2.gz JBPQWJVASAWPFS-ZJUUUORDSA-N 1 1 322.456 -1.264 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC000947035921 663985820 /nfs/dbraw/zinc/98/58/20/663985820.db2.gz JCHCYSSMWDTRMD-VXGBXAGGSA-N 1 1 319.373 -1.066 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCn1cncn1 ZINC000947035919 663985837 /nfs/dbraw/zinc/98/58/37/663985837.db2.gz JCHCYSSMWDTRMD-NWDGAFQWSA-N 1 1 319.373 -1.066 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085512 663986212 /nfs/dbraw/zinc/98/62/12/663986212.db2.gz JBPQWJVASAWPFS-UWVGGRQHSA-N 1 1 322.456 -1.264 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCOCC2)C1 ZINC000954318039 663986425 /nfs/dbraw/zinc/98/64/25/663986425.db2.gz QIHKCBPOSRXSFP-CYBMUJFWSA-N 1 1 324.425 -1.061 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC[N@H+]1C ZINC000928442096 663986851 /nfs/dbraw/zinc/98/68/51/663986851.db2.gz RAEAPKTUKAIYCS-ZJUUUORDSA-N 1 1 315.399 -1.093 20 0 DAADMO O=C1NC[C@H]2C[N@H+](C[C@@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845879 663988727 /nfs/dbraw/zinc/98/87/27/663988727.db2.gz YSJFGBPVYOOQRT-RYUDHWBXSA-N 1 1 311.382 -1.315 20 0 DAADMO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)CCC3(O)CCC3)CCN2C1=O ZINC000929845879 663988730 /nfs/dbraw/zinc/98/87/30/663988730.db2.gz YSJFGBPVYOOQRT-RYUDHWBXSA-N 1 1 311.382 -1.315 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929779971 663988778 /nfs/dbraw/zinc/98/87/78/663988778.db2.gz JENNXFRMXKFOAJ-LSDHHAIUSA-N 1 1 318.414 -1.485 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929779968 663988868 /nfs/dbraw/zinc/98/88/68/663988868.db2.gz JENNXFRMXKFOAJ-CABCVRRESA-N 1 1 318.414 -1.485 20 0 DAADMO OCC[N@@H+](CCN1CCOCC1)C[C@@H](O)C1(O)CCOCC1 ZINC000929779371 663988914 /nfs/dbraw/zinc/98/89/14/663988914.db2.gz ZJWABPCOFPWTGG-CQSZACIVSA-N 1 1 318.414 -1.485 20 0 DAADMO CS(=O)(=O)N1CC(C[N@@H+](CCO)CCN2CCOCC2)C1 ZINC000929779231 663988993 /nfs/dbraw/zinc/98/89/93/663988993.db2.gz FUCQMBORRZCWNG-UHFFFAOYSA-N 1 1 321.443 -1.496 20 0 DAADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000929473263 663989066 /nfs/dbraw/zinc/98/90/66/663989066.db2.gz XGMCRKNEMCEQKN-NWDGAFQWSA-N 1 1 322.427 -1.098 20 0 DAADMO Cn1nnc2c1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000929711448 663989213 /nfs/dbraw/zinc/98/92/13/663989213.db2.gz HJCTTXJQVIDAKQ-JTQLQIEISA-N 1 1 320.397 -1.001 20 0 DAADMO O=C(N[C@@H]1CCOC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929988329 663989966 /nfs/dbraw/zinc/98/99/66/663989966.db2.gz NARRBCPTMJVCCQ-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000929981687 663990100 /nfs/dbraw/zinc/99/01/00/663990100.db2.gz KLFABUIBJCLYGS-JHJVBQTASA-N 1 1 322.427 -1.098 20 0 DAADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000930176517 663990240 /nfs/dbraw/zinc/99/02/40/663990240.db2.gz DXBYGKQLDDQBRE-XQQFMLRXSA-N 1 1 322.427 -1.098 20 0 DAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000929981689 663990452 /nfs/dbraw/zinc/99/04/52/663990452.db2.gz KLFABUIBJCLYGS-UPJWGTAASA-N 1 1 322.427 -1.098 20 0 DAADMO CN(C)c1nccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)n1 ZINC000930386143 663990753 /nfs/dbraw/zinc/99/07/53/663990753.db2.gz FLBVRXKDBTVMPM-NSHDSACASA-N 1 1 306.370 -1.021 20 0 DAADMO CN(C)c1nccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)n1 ZINC000930386143 663990759 /nfs/dbraw/zinc/99/07/59/663990759.db2.gz FLBVRXKDBTVMPM-NSHDSACASA-N 1 1 306.370 -1.021 20 0 DAADMO C[N@@H+](C[C@H](O)C1(O)CCOCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000930540886 663991116 /nfs/dbraw/zinc/99/11/16/663991116.db2.gz KDIPUQVYZINVPF-NEPJUHHUSA-N 1 1 322.427 -1.146 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000930484711 663991165 /nfs/dbraw/zinc/99/11/65/663991165.db2.gz NLLCMPVRHXOYDI-WOPDTQHZSA-N 1 1 305.400 -1.128 20 0 DAADMO CNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000930484710 663991473 /nfs/dbraw/zinc/99/14/73/663991473.db2.gz NLLCMPVRHXOYDI-SRVKXCTJSA-N 1 1 305.400 -1.128 20 0 DAADMO CN1CCOC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000931078452 663993078 /nfs/dbraw/zinc/99/30/78/663993078.db2.gz WCDBSYNCIOROHI-WWGRRREGSA-N 1 1 324.425 -1.157 20 0 DAADMO COC1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CS(=O)(=O)C1 ZINC000931187958 663993089 /nfs/dbraw/zinc/99/30/89/663993089.db2.gz ZRLLFKXFSCYEBD-MNOVXSKESA-N 1 1 318.395 -1.221 20 0 DAADMO COC1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CS(=O)(=O)C1 ZINC000931187958 663993090 /nfs/dbraw/zinc/99/30/90/663993090.db2.gz ZRLLFKXFSCYEBD-MNOVXSKESA-N 1 1 318.395 -1.221 20 0 DAADMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000931124860 663993528 /nfs/dbraw/zinc/99/35/28/663993528.db2.gz DAQPCZGFZVELNK-QWRGUYRKSA-N 1 1 317.411 -1.252 20 0 DAADMO C[N@@H+]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1CO ZINC000931409977 663994167 /nfs/dbraw/zinc/99/41/67/663994167.db2.gz ILVDDOSAUQHHNU-AWEZNQCLSA-N 1 1 324.425 -1.325 20 0 DAADMO C[N@H+]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1CO ZINC000931409977 663994170 /nfs/dbraw/zinc/99/41/70/663994170.db2.gz ILVDDOSAUQHHNU-AWEZNQCLSA-N 1 1 324.425 -1.325 20 0 DAADMO COC(=O)CCNC(=O)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931645376 663995533 /nfs/dbraw/zinc/99/55/33/663995533.db2.gz KMSKFPRRKDQWJA-JTQLQIEISA-N 1 1 304.343 -1.279 20 0 DAADMO COC1(OC)CCOC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000931665637 663995518 /nfs/dbraw/zinc/99/55/18/663995518.db2.gz BPTFWQIWUFHYHJ-JTQLQIEISA-N 1 1 301.343 -1.688 20 0 DAADMO COC(=O)CCNC(=O)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931645376 663995531 /nfs/dbraw/zinc/99/55/31/663995531.db2.gz KMSKFPRRKDQWJA-JTQLQIEISA-N 1 1 304.343 -1.279 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000931875791 663995908 /nfs/dbraw/zinc/99/59/08/663995908.db2.gz FQEZZEQGVIPMTA-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000931875791 663995910 /nfs/dbraw/zinc/99/59/10/663995910.db2.gz FQEZZEQGVIPMTA-NEPJUHHUSA-N 1 1 312.370 -1.830 20 0 DAADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931873331 663995936 /nfs/dbraw/zinc/99/59/36/663995936.db2.gz YKMILEZQXWKLBH-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931873331 663995939 /nfs/dbraw/zinc/99/59/39/663995939.db2.gz YKMILEZQXWKLBH-NSHDSACASA-N 1 1 312.370 -1.876 20 0 DAADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CC2)cn1 ZINC000931878632 663996126 /nfs/dbraw/zinc/99/61/26/663996126.db2.gz RERLGXYJMYWAKM-GFCCVEGCSA-N 1 1 320.397 -1.111 20 0 DAADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)CC2)cn1 ZINC000931878632 663996130 /nfs/dbraw/zinc/99/61/30/663996130.db2.gz RERLGXYJMYWAKM-GFCCVEGCSA-N 1 1 320.397 -1.111 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000931875793 663996505 /nfs/dbraw/zinc/99/65/05/663996505.db2.gz FQEZZEQGVIPMTA-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000931875793 663996510 /nfs/dbraw/zinc/99/65/10/663996510.db2.gz FQEZZEQGVIPMTA-NWDGAFQWSA-N 1 1 312.370 -1.830 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000931875908 663996612 /nfs/dbraw/zinc/99/66/12/663996612.db2.gz UKZPNTWLYQKCGA-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000931875908 663996617 /nfs/dbraw/zinc/99/66/17/663996617.db2.gz UKZPNTWLYQKCGA-GFCCVEGCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000931871849 663996655 /nfs/dbraw/zinc/99/66/55/663996655.db2.gz APPHCGCFKZZEEL-SNVBAGLBSA-N 1 1 318.399 -2.090 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000931871849 663996658 /nfs/dbraw/zinc/99/66/58/663996658.db2.gz APPHCGCFKZZEEL-SNVBAGLBSA-N 1 1 318.399 -2.090 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000931872689 663996751 /nfs/dbraw/zinc/99/67/51/663996751.db2.gz OXCWQZQVVCRSFR-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000931872689 663996753 /nfs/dbraw/zinc/99/67/53/663996753.db2.gz OXCWQZQVVCRSFR-LBPRGKRZSA-N 1 1 318.381 -1.055 20 0 DAADMO CN1CC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931889276 663997070 /nfs/dbraw/zinc/99/70/70/663997070.db2.gz FRVKJTSIGSMJDH-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000931887377 663997171 /nfs/dbraw/zinc/99/71/71/663997171.db2.gz RQFSAPAXQNQIQP-NSHDSACASA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000931887377 663997173 /nfs/dbraw/zinc/99/71/73/663997173.db2.gz RQFSAPAXQNQIQP-NSHDSACASA-N 1 1 319.369 -1.660 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000931885284 663997317 /nfs/dbraw/zinc/99/73/17/663997317.db2.gz NMRHXCFRWFXAJQ-MRVPVSSYSA-N 1 1 322.287 -1.003 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000931885284 663997320 /nfs/dbraw/zinc/99/73/20/663997320.db2.gz NMRHXCFRWFXAJQ-MRVPVSSYSA-N 1 1 322.287 -1.003 20 0 DAADMO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931886172 663997483 /nfs/dbraw/zinc/99/74/83/663997483.db2.gz RNJJJOBVRYVFEQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931886172 663997484 /nfs/dbraw/zinc/99/74/84/663997484.db2.gz RNJJJOBVRYVFEQ-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000931889880 663997498 /nfs/dbraw/zinc/99/74/98/663997498.db2.gz LRFKIHANNRAVGG-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000931889880 663997501 /nfs/dbraw/zinc/99/75/01/663997501.db2.gz LRFKIHANNRAVGG-PGUXBMHVSA-N 1 1 308.382 -1.079 20 0 DAADMO Cn1nnc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000932265405 663998103 /nfs/dbraw/zinc/99/81/03/663998103.db2.gz IBHNFJBIZPLLDS-JTQLQIEISA-N 1 1 322.373 -1.020 20 0 DAADMO C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000932124059 663998674 /nfs/dbraw/zinc/99/86/74/663998674.db2.gz SBHUWGONGUBQQS-DGCLKSJQSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932514794 663999036 /nfs/dbraw/zinc/99/90/36/663999036.db2.gz UVEMMQUBEHFCMK-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000932514794 663999039 /nfs/dbraw/zinc/99/90/39/663999039.db2.gz UVEMMQUBEHFCMK-QWRGUYRKSA-N 1 1 317.411 -1.110 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C(=O)N1CCNC(=O)C1 ZINC000932953846 663999954 /nfs/dbraw/zinc/99/99/54/663999954.db2.gz ZLZZKCLQHPUJHT-GFCCVEGCSA-N 1 1 324.381 -1.686 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933101973 664000572 /nfs/dbraw/zinc/00/05/72/664000572.db2.gz AQJWOYVYYCGRBO-NWDGAFQWSA-N 1 1 307.416 -1.146 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933101973 664000576 /nfs/dbraw/zinc/00/05/76/664000576.db2.gz AQJWOYVYYCGRBO-NWDGAFQWSA-N 1 1 307.416 -1.146 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933101977 664001069 /nfs/dbraw/zinc/00/10/69/664001069.db2.gz AQJWOYVYYCGRBO-RYUDHWBXSA-N 1 1 307.416 -1.146 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933101977 664001074 /nfs/dbraw/zinc/00/10/74/664001074.db2.gz AQJWOYVYYCGRBO-RYUDHWBXSA-N 1 1 307.416 -1.146 20 0 DAADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933435179 664001127 /nfs/dbraw/zinc/00/11/27/664001127.db2.gz OFHCXTCSAABJJO-SRVKXCTJSA-N 1 1 323.401 -1.024 20 0 DAADMO COCCC[N@H+](C)CCNC(=O)C1(OC)CS(=O)(=O)C1 ZINC000933491649 664001544 /nfs/dbraw/zinc/00/15/44/664001544.db2.gz PZVWLGFYVCEFID-UHFFFAOYSA-N 1 1 308.400 -1.116 20 0 DAADMO COCCC[N@@H+](C)CCNC(=O)C1(OC)CS(=O)(=O)C1 ZINC000933491649 664001549 /nfs/dbraw/zinc/00/15/49/664001549.db2.gz PZVWLGFYVCEFID-UHFFFAOYSA-N 1 1 308.400 -1.116 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000933894467 664002328 /nfs/dbraw/zinc/00/23/28/664002328.db2.gz KILLGASTNRGOKH-UTUOFQBUSA-N 1 1 321.385 -1.127 20 0 DAADMO O=C(CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1CCNC(=O)C1 ZINC000934252007 664002972 /nfs/dbraw/zinc/00/29/72/664002972.db2.gz IIBMMHQFDKPHKN-OLZOCXBDSA-N 1 1 310.398 -1.524 20 0 DAADMO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000934490875 664003272 /nfs/dbraw/zinc/00/32/72/664003272.db2.gz RMVNUEJRAIKEQB-BBBLOLIVSA-N 1 1 303.384 -1.644 20 0 DAADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC000934490875 664003276 /nfs/dbraw/zinc/00/32/76/664003276.db2.gz RMVNUEJRAIKEQB-BBBLOLIVSA-N 1 1 303.384 -1.644 20 0 DAADMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574676 664003519 /nfs/dbraw/zinc/00/35/19/664003519.db2.gz KZJSBAILGCVIKA-GDPRMGEGSA-N 1 1 315.395 -1.502 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000934574676 664003525 /nfs/dbraw/zinc/00/35/25/664003525.db2.gz KZJSBAILGCVIKA-GDPRMGEGSA-N 1 1 315.395 -1.502 20 0 DAADMO CC[N@H+]1CCN(C(=O)[C@H](C)NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000935070315 664004401 /nfs/dbraw/zinc/00/44/01/664004401.db2.gz BFURZWHGBUCXHH-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[N@H+]1CC[C@@](O)(CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 ZINC000935400431 664005290 /nfs/dbraw/zinc/00/52/90/664005290.db2.gz SFOYXZPGFDLZQT-NWDGAFQWSA-N 1 1 305.400 -1.359 20 0 DAADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000935442682 664005293 /nfs/dbraw/zinc/00/52/93/664005293.db2.gz BOLREQCKZUYXJG-SNVBAGLBSA-N 1 1 309.374 -1.270 20 0 DAADMO Cn1cnc(C(=O)N2CCOC3(CC[NH+](CC(N)=O)CC3)C2)n1 ZINC000949086966 664006912 /nfs/dbraw/zinc/00/69/12/664006912.db2.gz UAHOXFYWQVSRKM-UHFFFAOYSA-N 1 1 322.369 -1.393 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@@H+]1CC(N)=O ZINC000947408697 664007745 /nfs/dbraw/zinc/00/77/45/664007745.db2.gz IDBGLGNNERBRPO-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)cn2)CC[N@H+]1CC(N)=O ZINC000947408697 664007752 /nfs/dbraw/zinc/00/77/52/664007752.db2.gz IDBGLGNNERBRPO-VHSXEESVSA-N 1 1 307.354 -1.152 20 0 DAADMO NC(=O)C(=O)NC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000947439356 664008070 /nfs/dbraw/zinc/00/80/70/664008070.db2.gz KJQZSWTXMXTCMA-UHFFFAOYSA-N 1 1 312.370 -1.699 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1CCCO ZINC000947463881 664008348 /nfs/dbraw/zinc/00/83/48/664008348.db2.gz NSOBXIAALUXTSX-VXGBXAGGSA-N 1 1 311.386 -1.067 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000947512811 664008691 /nfs/dbraw/zinc/00/86/91/664008691.db2.gz YXJQQHPJUJLBJJ-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000947512811 664008695 /nfs/dbraw/zinc/00/86/95/664008695.db2.gz YXJQQHPJUJLBJJ-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC000947512769 664008716 /nfs/dbraw/zinc/00/87/16/664008716.db2.gz YIJSNQZPKYMMRX-GHMZBOCLSA-N 1 1 310.354 -1.090 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC(N)=O ZINC000947561149 664008722 /nfs/dbraw/zinc/00/87/22/664008722.db2.gz WQHMZDSDRQBJTF-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1CC(N)=O ZINC000947561149 664008725 /nfs/dbraw/zinc/00/87/25/664008725.db2.gz WQHMZDSDRQBJTF-ZJUUUORDSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@@H+]1CC(N)=O ZINC000947512809 664008870 /nfs/dbraw/zinc/00/88/70/664008870.db2.gz YXJQQHPJUJLBJJ-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CC(N)=O ZINC000947512809 664008875 /nfs/dbraw/zinc/00/88/75/664008875.db2.gz YXJQQHPJUJLBJJ-NXEZZACHSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(N)=O)CC[N@H+]1CCN1C(=O)CNC1=O ZINC000947678977 664009697 /nfs/dbraw/zinc/00/96/97/664009697.db2.gz CVIIGAVNNNGQST-RKDXNWHRSA-N 1 1 311.342 -2.007 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC[NH+](CC(N)=O)CC1 ZINC001006426825 664010417 /nfs/dbraw/zinc/01/04/17/664010417.db2.gz VMXMIDHVWBIJNE-SNVBAGLBSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC000947821623 664010671 /nfs/dbraw/zinc/01/06/71/664010671.db2.gz XKOOCBRAUOULMV-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[C@H]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC000947821623 664010676 /nfs/dbraw/zinc/01/06/76/664010676.db2.gz XKOOCBRAUOULMV-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000947809885 664010851 /nfs/dbraw/zinc/01/08/51/664010851.db2.gz MLGQDYZPHIZSGD-LLVKDONJSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000947809885 664010855 /nfs/dbraw/zinc/01/08/55/664010855.db2.gz MLGQDYZPHIZSGD-LLVKDONJSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cn1ncnn1 ZINC000947968516 664011908 /nfs/dbraw/zinc/01/19/08/664011908.db2.gz BZZKPUNEISQPKG-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cn1cnnn1 ZINC000947964931 664012335 /nfs/dbraw/zinc/01/23/35/664012335.db2.gz LMYZSLCRGHTFIT-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@@H+]1CC(N)=O ZINC000948070773 664013525 /nfs/dbraw/zinc/01/35/25/664013525.db2.gz SLTQIHCPWYKQEG-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CC(N)=O ZINC000948070773 664013530 /nfs/dbraw/zinc/01/35/30/664013530.db2.gz SLTQIHCPWYKQEG-BDAKNGLRSA-N 1 1 323.357 -2.169 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080153 664014299 /nfs/dbraw/zinc/01/42/99/664014299.db2.gz CSOBCASKNHENGP-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080153 664014304 /nfs/dbraw/zinc/01/43/04/664014304.db2.gz CSOBCASKNHENGP-LLVKDONJSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@@H+]1CC(N)=O ZINC000948078092 664014428 /nfs/dbraw/zinc/01/44/28/664014428.db2.gz HUCZXCCPYVFJAH-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)CC[N@H+]1CC(N)=O ZINC000948078092 664014429 /nfs/dbraw/zinc/01/44/29/664014429.db2.gz HUCZXCCPYVFJAH-ZJUUUORDSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@H](N(C)C(=O)Cn2cnnn2)CC1 ZINC000948173194 664015872 /nfs/dbraw/zinc/01/58/72/664015872.db2.gz HSSRFUJQCYGLAC-MNOVXSKESA-N 1 1 309.374 -1.140 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948309563 664016598 /nfs/dbraw/zinc/01/65/98/664016598.db2.gz RMOSFLNESYJNQQ-SNVBAGLBSA-N 1 1 310.358 -1.218 20 0 DAADMO CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948382046 664016710 /nfs/dbraw/zinc/01/67/10/664016710.db2.gz XXSPZAJZVQYRAD-NSHDSACASA-N 1 1 324.385 -1.318 20 0 DAADMO CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948565314 664019656 /nfs/dbraw/zinc/01/96/56/664019656.db2.gz BWHFKJDDWMAVSV-NSHDSACASA-N 1 1 324.385 -1.620 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000948738539 664020925 /nfs/dbraw/zinc/02/09/25/664020925.db2.gz YCODEAIQBCGLSS-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948820515 664020980 /nfs/dbraw/zinc/02/09/80/664020980.db2.gz LAZFLWANVCHSQN-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO CNC(=O)CN1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751762 664021412 /nfs/dbraw/zinc/02/14/12/664021412.db2.gz VSJFZGOOYNDKLU-ZDUSSCGKSA-N 1 1 322.413 -1.297 20 0 DAADMO CN(C(=O)C(N)=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)CC1 ZINC000948736639 664021471 /nfs/dbraw/zinc/02/14/71/664021471.db2.gz AFHOWSSHHFNVIZ-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1nncc1C(=O)N1CCOC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000949083644 664027586 /nfs/dbraw/zinc/02/75/86/664027586.db2.gz LDIIXVINQIDJES-UHFFFAOYSA-N 1 1 322.369 -1.393 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CN1CN=NC1=O ZINC000949138257 664028947 /nfs/dbraw/zinc/02/89/47/664028947.db2.gz CZTXEXLCJJWWIF-QWRGUYRKSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC000949149202 664029966 /nfs/dbraw/zinc/02/99/66/664029966.db2.gz MSOQXHYMWNVMBB-QWRGUYRKSA-N 1 1 307.358 -1.516 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244228 664031338 /nfs/dbraw/zinc/03/13/38/664031338.db2.gz YIUAPSKEJNGWRK-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2ccnc2)C1 ZINC000949244228 664031344 /nfs/dbraw/zinc/03/13/44/664031344.db2.gz YIUAPSKEJNGWRK-QWHCGFSZSA-N 1 1 321.381 -1.069 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238212 664031814 /nfs/dbraw/zinc/03/18/14/664031814.db2.gz GSEPIXFZGNZGMG-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238212 664031817 /nfs/dbraw/zinc/03/18/17/664031817.db2.gz GSEPIXFZGNZGMG-NWDGAFQWSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000949239566 664031898 /nfs/dbraw/zinc/03/18/98/664031898.db2.gz SLYFXWFQYBDSOC-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000949239566 664031902 /nfs/dbraw/zinc/03/19/02/664031902.db2.gz SLYFXWFQYBDSOC-WDEREUQCSA-N 1 1 322.369 -1.524 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239325 664031947 /nfs/dbraw/zinc/03/19/47/664031947.db2.gz QTNWJJKRLDZKMU-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cnon2)C1 ZINC000949239325 664031953 /nfs/dbraw/zinc/03/19/53/664031953.db2.gz QTNWJJKRLDZKMU-MWLCHTKSSA-N 1 1 309.326 -1.269 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239163 664032002 /nfs/dbraw/zinc/03/20/02/664032002.db2.gz PRTPSWCQZDMHDM-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cn2cncn2)C1 ZINC000949239163 664032007 /nfs/dbraw/zinc/03/20/07/664032007.db2.gz PRTPSWCQZDMHDM-RYUDHWBXSA-N 1 1 322.369 -1.674 20 0 DAADMO O=C(Cn1cnnn1)N1CCC2(CC1)C[N@@H+](CCCO)CCO2 ZINC000949291390 664032068 /nfs/dbraw/zinc/03/20/68/664032068.db2.gz AWDCLQQJGVCXAM-UHFFFAOYSA-N 1 1 324.385 -1.251 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244049 664032086 /nfs/dbraw/zinc/03/20/86/664032086.db2.gz VCVUPMITLJNPOA-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000949244049 664032090 /nfs/dbraw/zinc/03/20/90/664032090.db2.gz VCVUPMITLJNPOA-ODXJTPSBSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238832 664032101 /nfs/dbraw/zinc/03/21/01/664032101.db2.gz MWHSRAZZMCMJLZ-WDEREUQCSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2nnc[nH]2)C1 ZINC000949238832 664032102 /nfs/dbraw/zinc/03/21/02/664032102.db2.gz MWHSRAZZMCMJLZ-WDEREUQCSA-N 1 1 322.369 -1.605 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238565 664032106 /nfs/dbraw/zinc/03/21/06/664032106.db2.gz JOWVBRBAHPXRPH-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238565 664032107 /nfs/dbraw/zinc/03/21/07/664032107.db2.gz JOWVBRBAHPXRPH-NEPJUHHUSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238213 664032119 /nfs/dbraw/zinc/03/21/19/664032119.db2.gz GSEPIXFZGNZGMG-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2ncc[nH]2)C1 ZINC000949238213 664032121 /nfs/dbraw/zinc/03/21/21/664032121.db2.gz GSEPIXFZGNZGMG-RYUDHWBXSA-N 1 1 321.381 -1.000 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000949242330 664032128 /nfs/dbraw/zinc/03/21/28/664032128.db2.gz BOIUAJARRCMHMP-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000949242330 664032131 /nfs/dbraw/zinc/03/21/31/664032131.db2.gz BOIUAJARRCMHMP-UWVGGRQHSA-N 1 1 323.357 -2.129 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239364 664032383 /nfs/dbraw/zinc/03/23/83/664032383.db2.gz RIGAUXFFVNQMQO-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C2(C(N)=O)CC2)C1 ZINC000949239364 664032389 /nfs/dbraw/zinc/03/23/89/664032389.db2.gz RIGAUXFFVNQMQO-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238568 664032509 /nfs/dbraw/zinc/03/25/09/664032509.db2.gz JOWVBRBAHPXRPH-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCN2C(=O)Cn2nccn2)C1 ZINC000949238568 664032514 /nfs/dbraw/zinc/03/25/14/664032514.db2.gz JOWVBRBAHPXRPH-VXGBXAGGSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000949303007 664032780 /nfs/dbraw/zinc/03/27/80/664032780.db2.gz AXLRKXGFSOPMKP-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(Cn1ncnn1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949366223 664033619 /nfs/dbraw/zinc/03/36/19/664033619.db2.gz YYPQMKLXPUPONV-UHFFFAOYSA-N 1 1 310.358 -1.641 20 0 DAADMO O=C([C@@H]1Cc2cncn2C(=O)N1)N1CC[NH+](CCCO)CC1 ZINC000949434616 664035484 /nfs/dbraw/zinc/03/54/84/664035484.db2.gz VDSWYXVZYKEATF-LBPRGKRZSA-N 1 1 307.354 -1.108 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC000949433716 664035812 /nfs/dbraw/zinc/03/58/12/664035812.db2.gz FFXWQXMZGMXPNF-JQWIXIFHSA-N 1 1 307.354 -1.110 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC2(CC1)C[N@@H+](CCO)CCO2 ZINC000949454988 664036221 /nfs/dbraw/zinc/03/62/21/664036221.db2.gz QDPGVMZQINMTGG-LLVKDONJSA-N 1 1 312.370 -1.647 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000949938701 664047965 /nfs/dbraw/zinc/04/79/65/664047965.db2.gz MMOHUJQOUSOPQI-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3cnnn3)C2)C1 ZINC000949946806 664048724 /nfs/dbraw/zinc/04/87/24/664048724.db2.gz RAENBRURGSOVBT-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C(=O)c1cn(C)c(=O)n1C)C1CC[NH+](CC(N)=O)CC1 ZINC001006450587 664049888 /nfs/dbraw/zinc/04/98/88/664049888.db2.gz HOORWOAQDXYCEF-UHFFFAOYSA-N 1 1 309.370 -1.255 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000950081175 664050834 /nfs/dbraw/zinc/05/08/34/664050834.db2.gz ZNKJIOITBUOQLY-UWVGGRQHSA-N 1 1 307.358 -1.508 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CCn2cnnn2)C1 ZINC000950074442 664050930 /nfs/dbraw/zinc/05/09/30/664050930.db2.gz OZAPDTIFKOQOHP-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000950230893 664052837 /nfs/dbraw/zinc/05/28/37/664052837.db2.gz KOMSIUJNSBOBOD-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254239 664053165 /nfs/dbraw/zinc/05/31/65/664053165.db2.gz SPUISNCLUZSRAF-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1 ZINC000950254239 664053169 /nfs/dbraw/zinc/05/31/69/664053169.db2.gz SPUISNCLUZSRAF-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263861 664054272 /nfs/dbraw/zinc/05/42/72/664054272.db2.gz FTFYGNNDEVCVDQ-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2C(=O)c2cn[nH]n2)C1 ZINC000950263861 664054275 /nfs/dbraw/zinc/05/42/75/664054275.db2.gz FTFYGNNDEVCVDQ-JQWIXIFHSA-N 1 1 322.369 -1.144 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CN(CC(N)=O)C1 ZINC000950381205 664055299 /nfs/dbraw/zinc/05/52/99/664055299.db2.gz MMHOBEXUBPZEMM-WCQYABFASA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000950471006 664056612 /nfs/dbraw/zinc/05/66/12/664056612.db2.gz KYEWKRYKYCYBRL-ZJUUUORDSA-N 1 1 305.338 -1.037 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(CC(=O)NC)C1 ZINC000950618358 664059220 /nfs/dbraw/zinc/05/92/20/664059220.db2.gz FTNMTNPOMRTRON-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(CC(=O)NC)C1 ZINC000950618358 664059223 /nfs/dbraw/zinc/05/92/23/664059223.db2.gz FTNMTNPOMRTRON-DGCLKSJQSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)O1 ZINC000950789062 664062925 /nfs/dbraw/zinc/06/29/25/664062925.db2.gz PYJBLHDZEKDQSJ-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN2C(=O)c2nc[nH]n2)O1 ZINC000950789062 664062928 /nfs/dbraw/zinc/06/29/28/664062928.db2.gz PYJBLHDZEKDQSJ-GMTAPVOTSA-N 1 1 322.369 -1.146 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000950866047 664063647 /nfs/dbraw/zinc/06/36/47/664063647.db2.gz FXWMBUFGXOJAFV-MNOVXSKESA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NC(=O)Cn3ncnn3)C2)C1 ZINC000950870502 664063746 /nfs/dbraw/zinc/06/37/46/664063746.db2.gz VHAOACDNZIGWAA-VXGBXAGGSA-N 1 1 321.385 -1.268 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCN2C(=O)C(N)=O)no1 ZINC000950874207 664063764 /nfs/dbraw/zinc/06/37/64/664063764.db2.gz HMQLQAULZCFDLF-MRVPVSSYSA-N 1 1 309.326 -1.448 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1ncnn1 ZINC000950923364 664065497 /nfs/dbraw/zinc/06/54/97/664065497.db2.gz DMUOQYBDDYPKOD-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)Cn3ncnn3)C2)C1 ZINC000950915115 664065675 /nfs/dbraw/zinc/06/56/75/664065675.db2.gz ZVHNDNLFLGMJHE-RYUDHWBXSA-N 1 1 321.385 -1.268 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cnnn1 ZINC000950930495 664065688 /nfs/dbraw/zinc/06/56/88/664065688.db2.gz GEGYNEBQOVLRGU-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000951087768 664069714 /nfs/dbraw/zinc/06/97/14/664069714.db2.gz YAAKIOWCIXWZNQ-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000951087768 664069716 /nfs/dbraw/zinc/06/97/16/664069716.db2.gz YAAKIOWCIXWZNQ-ZYHUDNBSSA-N 1 1 322.369 -1.524 20 0 DAADMO Cn1cc(C(=O)N2CC[NH+](CCCO)CC2)c(=O)n(C)c1=O ZINC000951165732 664071456 /nfs/dbraw/zinc/07/14/56/664071456.db2.gz HIDOEQVAENISFS-UHFFFAOYSA-N 1 1 310.354 -1.776 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000951166597 664071541 /nfs/dbraw/zinc/07/15/41/664071541.db2.gz QBBFSVYWGLDDAI-LLVKDONJSA-N 1 1 324.381 -1.123 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000951185901 664072369 /nfs/dbraw/zinc/07/23/69/664072369.db2.gz CVMXZAFVAGHBHB-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000951185901 664072372 /nfs/dbraw/zinc/07/23/72/664072372.db2.gz CVMXZAFVAGHBHB-YUSALJHKSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)O1 ZINC000951237988 664073195 /nfs/dbraw/zinc/07/31/95/664073195.db2.gz AYQBTXKPPZWCQF-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)O1 ZINC000951237988 664073200 /nfs/dbraw/zinc/07/32/00/664073200.db2.gz AYQBTXKPPZWCQF-GMTAPVOTSA-N 1 1 312.370 -1.702 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)no1 ZINC000951270572 664074091 /nfs/dbraw/zinc/07/40/91/664074091.db2.gz NRTIIHAEPVJSCP-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310318 664074861 /nfs/dbraw/zinc/07/48/61/664074861.db2.gz QXWKKUCJRACLTA-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)C1 ZINC000951310318 664074862 /nfs/dbraw/zinc/07/48/62/664074862.db2.gz QXWKKUCJRACLTA-PWSUYJOCSA-N 1 1 322.369 -1.144 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000951620429 664087478 /nfs/dbraw/zinc/08/74/78/664087478.db2.gz INEMMAIUHYJMSQ-VHSXEESVSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@H]2CNC(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000951622502 664088724 /nfs/dbraw/zinc/08/87/24/664088724.db2.gz CRWAKBHNTUVBHT-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]2CNC(=O)c2nnn(C)n2)C1 ZINC000951625252 664089535 /nfs/dbraw/zinc/08/95/35/664089535.db2.gz REWCDYIBUJXUQG-WDEREUQCSA-N 1 1 321.385 -1.117 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649648 664090772 /nfs/dbraw/zinc/09/07/72/664090772.db2.gz WNPAQTDUDOIJMB-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649648 664090777 /nfs/dbraw/zinc/09/07/77/664090777.db2.gz WNPAQTDUDOIJMB-DGTMBMJNSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649651 664090815 /nfs/dbraw/zinc/09/08/15/664090815.db2.gz WNPAQTDUDOIJMB-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000951649651 664090819 /nfs/dbraw/zinc/09/08/19/664090819.db2.gz WNPAQTDUDOIJMB-RGDJUOJXSA-N 1 1 323.393 -1.074 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCN2C(=O)C(N)=O)C1 ZINC000951725149 664092231 /nfs/dbraw/zinc/09/22/31/664092231.db2.gz JDJAKNAJUKCMKE-MNOVXSKESA-N 1 1 312.370 -1.702 20 0 DAADMO C[NH+](C)Cc1cc(C(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)no1 ZINC000951858039 664098544 /nfs/dbraw/zinc/09/85/44/664098544.db2.gz FEQCIGVGYBSOPY-VIFPVBQESA-N 1 1 323.353 -1.058 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1)C1CCC1 ZINC000951874570 664099823 /nfs/dbraw/zinc/09/98/23/664099823.db2.gz NRHRPUNBBSTQJL-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000951879241 664102438 /nfs/dbraw/zinc/10/24/38/664102438.db2.gz UGUOCHIABSNIEV-MNOVXSKESA-N 1 1 320.353 -1.410 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953680378 664121923 /nfs/dbraw/zinc/12/19/23/664121923.db2.gz AGPUUXGZSNKMJZ-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953680378 664121924 /nfs/dbraw/zinc/12/19/24/664121924.db2.gz AGPUUXGZSNKMJZ-NSHDSACASA-N 1 1 323.357 -2.327 20 0 DAADMO CN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953690514 664123326 /nfs/dbraw/zinc/12/33/26/664123326.db2.gz DTQSHGVYBGVCET-JTQLQIEISA-N 1 1 307.358 -1.706 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)Cn3cnnn3)C2)CC[N@H+]1C ZINC000953692670 664123436 /nfs/dbraw/zinc/12/34/36/664123436.db2.gz XWEWRBPNRKNCIC-ZYHUDNBSSA-N 1 1 321.385 -1.318 20 0 DAADMO CN(C(=O)Cn1cccn1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953734282 664124000 /nfs/dbraw/zinc/12/40/00/664124000.db2.gz IASPNTAZNOVVIH-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)Cn1cccn1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953734282 664124002 /nfs/dbraw/zinc/12/40/02/664124002.db2.gz IASPNTAZNOVVIH-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CCN(C(=O)C1CC2(C1)NC(=O)NC2=O)C1C[NH+](C[C@@H](C)O)C1 ZINC000953834006 664126307 /nfs/dbraw/zinc/12/63/07/664126307.db2.gz YJHPFVJAZJMSEO-SBTGLGLWSA-N 1 1 324.381 -1.112 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000953890457 664127582 /nfs/dbraw/zinc/12/75/82/664127582.db2.gz NGZYTPJMCXOGFN-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000953890457 664127585 /nfs/dbraw/zinc/12/75/85/664127585.db2.gz NGZYTPJMCXOGFN-NEPJUHHUSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)Cn2ncnn2)C1 ZINC000953902351 664128790 /nfs/dbraw/zinc/12/87/90/664128790.db2.gz DWCHNCVBBRKFKH-NSHDSACASA-N 1 1 307.358 -1.564 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000953903104 664128842 /nfs/dbraw/zinc/12/88/42/664128842.db2.gz OQRFMSWZLYNCDM-QWRGUYRKSA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000953905434 664128980 /nfs/dbraw/zinc/12/89/80/664128980.db2.gz ZGDSKVBEMZUHAE-NEPJUHHUSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@H]1CCC(=O)N1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953895360 664129027 /nfs/dbraw/zinc/12/90/27/664129027.db2.gz MCSWYIHBVBNTQQ-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000953905437 664129365 /nfs/dbraw/zinc/12/93/65/664129365.db2.gz ZGDSKVBEMZUHAE-VXGBXAGGSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000953905436 664129913 /nfs/dbraw/zinc/12/99/13/664129913.db2.gz ZGDSKVBEMZUHAE-RYUDHWBXSA-N 1 1 323.397 -1.227 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cnn(C)n2)C1 ZINC000953958671 664130334 /nfs/dbraw/zinc/13/03/34/664130334.db2.gz XSBVLJZXMHDAEI-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cnn(C)n2)C1 ZINC000953958671 664130336 /nfs/dbraw/zinc/13/03/36/664130336.db2.gz XSBVLJZXMHDAEI-GFCCVEGCSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cccn2)C1 ZINC000953957195 664130352 /nfs/dbraw/zinc/13/03/52/664130352.db2.gz SFEARVJBXQPESN-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cccn2)C1 ZINC000953957195 664130357 /nfs/dbraw/zinc/13/03/57/664130357.db2.gz SFEARVJBXQPESN-ZDUSSCGKSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953959994 664130416 /nfs/dbraw/zinc/13/04/16/664130416.db2.gz WZDDFEBFLMBTGL-JSGCOSHPSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)c2cn(C)nn2)C1 ZINC000953958314 664130466 /nfs/dbraw/zinc/13/04/66/664130466.db2.gz SMVDQDMQBIYYMU-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)c2cn(C)nn2)C1 ZINC000953958314 664130470 /nfs/dbraw/zinc/13/04/70/664130470.db2.gz SMVDQDMQBIYYMU-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000953959539 664130502 /nfs/dbraw/zinc/13/05/02/664130502.db2.gz JAMNJBDPMIQNJH-RQJABVFESA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000953959539 664130507 /nfs/dbraw/zinc/13/05/07/664130507.db2.gz JAMNJBDPMIQNJH-RQJABVFESA-N 1 1 323.393 -1.121 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000953957432 664130645 /nfs/dbraw/zinc/13/06/45/664130645.db2.gz ZLJSJRJVPXEOOM-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000953957432 664130649 /nfs/dbraw/zinc/13/06/49/664130649.db2.gz ZLJSJRJVPXEOOM-VXGBXAGGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cccn2)C1 ZINC000953957194 664130714 /nfs/dbraw/zinc/13/07/14/664130714.db2.gz SFEARVJBXQPESN-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cccn2)C1 ZINC000953957194 664130717 /nfs/dbraw/zinc/13/07/17/664130717.db2.gz SFEARVJBXQPESN-CYBMUJFWSA-N 1 1 321.381 -1.117 20 0 DAADMO Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953959261 664130722 /nfs/dbraw/zinc/13/07/22/664130722.db2.gz AKKJVTTZCQUZND-LLVKDONJSA-N 1 1 323.353 -1.009 20 0 DAADMO Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953959261 664130724 /nfs/dbraw/zinc/13/07/24/664130724.db2.gz AKKJVTTZCQUZND-LLVKDONJSA-N 1 1 323.353 -1.009 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000953958756 664130759 /nfs/dbraw/zinc/13/07/59/664130759.db2.gz ZLJSJRJVPXEOOM-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000953958756 664130764 /nfs/dbraw/zinc/13/07/64/664130764.db2.gz ZLJSJRJVPXEOOM-RYUDHWBXSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(C(=O)Cn2cncn2)C1 ZINC000953959901 664131079 /nfs/dbraw/zinc/13/10/79/664131079.db2.gz UAGPVMNCBZBBNB-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(C(=O)Cn2cncn2)C1 ZINC000953959901 664131081 /nfs/dbraw/zinc/13/10/81/664131081.db2.gz UAGPVMNCBZBBNB-LBPRGKRZSA-N 1 1 322.369 -1.722 20 0 DAADMO CN(C(=O)[C@H]1COCCN1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954103935 664133783 /nfs/dbraw/zinc/13/37/83/664133783.db2.gz CEHCHAZFMBDVAU-GXTWGEPZSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954184843 664136967 /nfs/dbraw/zinc/13/69/67/664136967.db2.gz WONMBUUPJZISGH-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO CN(C(=O)c1cnnn1C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954184843 664136974 /nfs/dbraw/zinc/13/69/74/664136974.db2.gz WONMBUUPJZISGH-LBPRGKRZSA-N 1 1 322.369 -1.572 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@H]2COC(=O)N2)C1 ZINC000954193226 664138459 /nfs/dbraw/zinc/13/84/59/664138459.db2.gz DKBWGRQPKRHKJG-LLVKDONJSA-N 1 1 321.337 -1.031 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000954314825 664142664 /nfs/dbraw/zinc/14/26/64/664142664.db2.gz AXUGDPRRJGUATR-KOLCDFICSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000954317685 664142716 /nfs/dbraw/zinc/14/27/16/664142716.db2.gz NHJSBUMWSYKULN-PWSUYJOCSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000954314824 664142904 /nfs/dbraw/zinc/14/29/04/664142904.db2.gz AXUGDPRRJGUATR-GXSJLCMTSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2COCCN2C)C1 ZINC000954315829 664142960 /nfs/dbraw/zinc/14/29/60/664142960.db2.gz JQXMIESWTLCGTJ-TZMCWYRMSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000954317683 664143150 /nfs/dbraw/zinc/14/31/50/664143150.db2.gz NHJSBUMWSYKULN-CMPLNLGQSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000954318800 664143176 /nfs/dbraw/zinc/14/31/76/664143176.db2.gz ZUIVZCKOQDWZFQ-TZMCWYRMSA-N 1 1 324.425 -1.062 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(C(=O)Cn2cnnn2)C1 ZINC000954327125 664143665 /nfs/dbraw/zinc/14/36/65/664143665.db2.gz XDIKQCPOSWCCRD-UHFFFAOYSA-N 1 1 318.341 -1.453 20 0 DAADMO CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954350254 664145563 /nfs/dbraw/zinc/14/55/63/664145563.db2.gz RNMPTALPHSLLGJ-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)Cn3ncnn3)C2)C1 ZINC000954354247 664145994 /nfs/dbraw/zinc/14/59/94/664145994.db2.gz BDBKEINFDJMAFN-NSHDSACASA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000954354863 664146090 /nfs/dbraw/zinc/14/60/90/664146090.db2.gz FVUBHGPYPBATOK-LLVKDONJSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CNC(=O)N3)C2)CC[N@H+]1C ZINC000954407716 664147451 /nfs/dbraw/zinc/14/74/51/664147451.db2.gz JKMOSCXEXWMSIW-YUSALJHKSA-N 1 1 323.397 -1.323 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)CC(N)=O)C1 ZINC000954472555 664149040 /nfs/dbraw/zinc/14/90/40/664149040.db2.gz HNQFUMMCXFZQPV-PWSUYJOCSA-N 1 1 324.381 -1.606 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC000954646006 664153262 /nfs/dbraw/zinc/15/32/62/664153262.db2.gz AJVGPHBJWIEDFX-MWLCHTKSSA-N 1 1 322.369 -1.193 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CN(C(=O)c3nc[nH]n3)C2)O1 ZINC000954646006 664153264 /nfs/dbraw/zinc/15/32/64/664153264.db2.gz AJVGPHBJWIEDFX-MWLCHTKSSA-N 1 1 322.369 -1.193 20 0 DAADMO Cn1nnc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2nccn2)n1 ZINC001037015607 664154383 /nfs/dbraw/zinc/15/43/83/664154383.db2.gz CBESAZKTEHTJLV-GHMZBOCLSA-N 1 1 319.373 -1.124 20 0 DAADMO CN(C(=O)c1cn[nH]n1)C1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000954722436 664154404 /nfs/dbraw/zinc/15/44/04/664154404.db2.gz RMMRDAQMFHSTJN-UHFFFAOYSA-N 1 1 322.369 -1.190 20 0 DAADMO CN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CN(C(=O)C(N)=O)C1 ZINC000954798545 664157438 /nfs/dbraw/zinc/15/74/38/664157438.db2.gz ZPMQPDIHSMSKAV-UHFFFAOYSA-N 1 1 319.365 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000954798292 664157443 /nfs/dbraw/zinc/15/74/43/664157443.db2.gz IONGQUHBSHCORL-NSHDSACASA-N 1 1 320.353 -1.458 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000954798639 664157492 /nfs/dbraw/zinc/15/74/92/664157492.db2.gz OITYVTFPLPTPIN-GFCCVEGCSA-N 1 1 319.365 -1.003 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC000954798640 664157735 /nfs/dbraw/zinc/15/77/35/664157735.db2.gz OITYVTFPLPTPIN-LBPRGKRZSA-N 1 1 319.365 -1.003 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(C(=O)C(N)=O)C1 ZINC000954910449 664158780 /nfs/dbraw/zinc/15/87/80/664158780.db2.gz ZYECOGCFUVFTGE-UQACVICXSA-N 1 1 322.365 -1.996 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000954945333 664160575 /nfs/dbraw/zinc/16/05/75/664160575.db2.gz SAIARZRSMCYAMN-NSHDSACASA-N 1 1 322.369 -1.273 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000954945333 664160577 /nfs/dbraw/zinc/16/05/77/664160577.db2.gz SAIARZRSMCYAMN-NSHDSACASA-N 1 1 322.369 -1.273 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954962156 664163041 /nfs/dbraw/zinc/16/30/41/664163041.db2.gz SPMCKCSCVPREQP-JQWIXIFHSA-N 1 1 323.397 -1.369 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954963561 664163928 /nfs/dbraw/zinc/16/39/28/664163928.db2.gz AOUWNFYYUDKHQX-JQWIXIFHSA-N 1 1 308.382 -1.257 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)O1 ZINC000955017769 664165626 /nfs/dbraw/zinc/16/56/26/664165626.db2.gz BTDAVGAPTVAFJN-MWLCHTKSSA-N 1 1 322.369 -1.193 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3nc[nH]n3)C2)O1 ZINC000955017769 664165628 /nfs/dbraw/zinc/16/56/28/664165628.db2.gz BTDAVGAPTVAFJN-MWLCHTKSSA-N 1 1 322.369 -1.193 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955022489 664166285 /nfs/dbraw/zinc/16/62/85/664166285.db2.gz GCBBBWBMJLMYLU-SNVBAGLBSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955022489 664166288 /nfs/dbraw/zinc/16/62/88/664166288.db2.gz GCBBBWBMJLMYLU-SNVBAGLBSA-N 1 1 308.342 -1.582 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955029242 664166853 /nfs/dbraw/zinc/16/68/53/664166853.db2.gz SHOYSHRZWJFROX-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)c3nnn(C)n3)C2)C1 ZINC000955032531 664167382 /nfs/dbraw/zinc/16/73/82/664167382.db2.gz SFMUZMJWNZMQQF-JTQLQIEISA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955029591 664167486 /nfs/dbraw/zinc/16/74/86/664167486.db2.gz IMXASQHRBBQTLD-SNVBAGLBSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955032392 664167661 /nfs/dbraw/zinc/16/76/61/664167661.db2.gz RCJQYKJSZCDIFL-GXSJLCMTSA-N 1 1 321.385 -1.309 20 0 DAADMO CN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000955029581 664167669 /nfs/dbraw/zinc/16/76/69/664167669.db2.gz AFTCUJFVVZRFMW-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC000955032393 664167954 /nfs/dbraw/zinc/16/79/54/664167954.db2.gz RCJQYKJSZCDIFL-KOLCDFICSA-N 1 1 321.385 -1.309 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955079393 664169456 /nfs/dbraw/zinc/16/94/56/664169456.db2.gz VJFGTSHPPVRXCJ-NSHDSACASA-N 1 1 312.370 -1.750 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955079393 664169461 /nfs/dbraw/zinc/16/94/61/664169461.db2.gz VJFGTSHPPVRXCJ-NSHDSACASA-N 1 1 312.370 -1.750 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000955152131 664172877 /nfs/dbraw/zinc/17/28/77/664172877.db2.gz RMGSATIDMFKRIL-WDEREUQCSA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000955152130 664173276 /nfs/dbraw/zinc/17/32/76/664173276.db2.gz RMGSATIDMFKRIL-QWRGUYRKSA-N 1 1 309.370 -1.569 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000955162498 664177861 /nfs/dbraw/zinc/17/78/61/664177861.db2.gz VIWVWXIXNRIULE-UHFFFAOYSA-N 1 1 309.326 -1.496 20 0 DAADMO CN(C(=O)C(N)=O)C1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000955162326 664177953 /nfs/dbraw/zinc/17/79/53/664177953.db2.gz VATJOEBSCJIIET-NSHDSACASA-N 1 1 322.369 -2.032 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955337902 664181279 /nfs/dbraw/zinc/18/12/79/664181279.db2.gz ALLNOZGWMZFJNE-JTQLQIEISA-N 1 1 321.385 -1.023 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)c3nnn(C)n3)C2)C1 ZINC000955342171 664181517 /nfs/dbraw/zinc/18/15/17/664181517.db2.gz UZIQVRVRRMEMSI-SNVBAGLBSA-N 1 1 321.385 -1.165 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2nnn(C)n2)C1 ZINC000955346288 664182207 /nfs/dbraw/zinc/18/22/07/664182207.db2.gz JOCYPRHJKUFTKS-GXSJLCMTSA-N 1 1 321.385 -1.309 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000955347092 664182238 /nfs/dbraw/zinc/18/22/38/664182238.db2.gz NLQCCTSAVCHGBK-GRYCIOLGSA-N 1 1 324.381 -1.892 20 0 DAADMO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000955347092 664182240 /nfs/dbraw/zinc/18/22/40/664182240.db2.gz NLQCCTSAVCHGBK-GRYCIOLGSA-N 1 1 324.381 -1.892 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000955345125 664182478 /nfs/dbraw/zinc/18/24/78/664182478.db2.gz RUNVBEXDDGHQSR-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CN(C(=O)Cn1cncn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955378155 664183545 /nfs/dbraw/zinc/18/35/45/664183545.db2.gz RGCVYGOXWCCBON-NSHDSACASA-N 1 1 306.370 -1.101 20 0 DAADMO Cn1nnc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2nnn(C)n2)n1 ZINC001037059249 664185384 /nfs/dbraw/zinc/18/53/84/664185384.db2.gz WAROUCMFCUSSKT-IUCAKERBSA-N 1 1 320.361 -1.578 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)O1 ZINC000956187246 664196972 /nfs/dbraw/zinc/19/69/72/664196972.db2.gz QGSPDTZCILWMLT-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)O1 ZINC000956187246 664196973 /nfs/dbraw/zinc/19/69/73/664196973.db2.gz QGSPDTZCILWMLT-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001037112514 664198373 /nfs/dbraw/zinc/19/83/73/664198373.db2.gz PIUYJLQUZUGHMG-VHSXEESVSA-N 1 1 319.373 -1.055 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)Cn2cnnn2)C1 ZINC000956771931 664201514 /nfs/dbraw/zinc/20/15/14/664201514.db2.gz DDZBFVOLHBKBLI-RISCZKNCSA-N 1 1 321.385 -1.126 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020505 664205273 /nfs/dbraw/zinc/20/52/73/664205273.db2.gz ZKNGECYCXKGZBG-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CCN(C(=O)C(N)=O)C2)C1 ZINC000957020505 664205277 /nfs/dbraw/zinc/20/52/77/664205277.db2.gz ZKNGECYCXKGZBG-IINYFYTJSA-N 1 1 312.370 -1.700 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000957072393 664205732 /nfs/dbraw/zinc/20/57/32/664205732.db2.gz QPLAGPKDOSHHHG-UHFFFAOYSA-N 1 1 312.370 -1.157 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000957649199 664216353 /nfs/dbraw/zinc/21/63/53/664216353.db2.gz HJNMVMQBPUCNQR-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC[N@H+](Cc1nc(=O)n(C)[nH]1)CC1CCN(C(=O)C(N)=O)CC1 ZINC000957747016 664216962 /nfs/dbraw/zinc/21/69/62/664216962.db2.gz KPDXWQOUVNJNRJ-UHFFFAOYSA-N 1 1 324.385 -1.346 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000957721010 664217267 /nfs/dbraw/zinc/21/72/67/664217267.db2.gz SDSKAVULLKKPPO-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC000957721010 664217270 /nfs/dbraw/zinc/21/72/70/664217270.db2.gz SDSKAVULLKKPPO-CHWSQXEVSA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CCNC3=O)CC2)C1 ZINC000957721013 664217414 /nfs/dbraw/zinc/21/74/14/664217414.db2.gz SDSKAVULLKKPPO-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CCNC3=O)CC2)C1 ZINC000957721013 664217417 /nfs/dbraw/zinc/21/74/17/664217417.db2.gz SDSKAVULLKKPPO-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CO[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000957688611 664217454 /nfs/dbraw/zinc/21/74/54/664217454.db2.gz ZZGFDWZEZQLQHO-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000957779141 664217906 /nfs/dbraw/zinc/21/79/06/664217906.db2.gz WXOVWPCJNSTWFT-MXWKQRLJSA-N 1 1 322.369 -1.288 20 0 DAADMO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000957779141 664217907 /nfs/dbraw/zinc/21/79/07/664217907.db2.gz WXOVWPCJNSTWFT-MXWKQRLJSA-N 1 1 322.369 -1.288 20 0 DAADMO CC[C@@H](C[NH+]1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)OC ZINC000957776699 664217923 /nfs/dbraw/zinc/21/79/23/664217923.db2.gz PGKHOMVQUSWJQZ-NSHDSACASA-N 1 1 324.385 -1.054 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC000957788030 664218241 /nfs/dbraw/zinc/21/82/41/664218241.db2.gz JGTACWDWERTMHD-JQWIXIFHSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1O ZINC000957788030 664218246 /nfs/dbraw/zinc/21/82/46/664218246.db2.gz JGTACWDWERTMHD-JQWIXIFHSA-N 1 1 305.338 -1.049 20 0 DAADMO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC000957794277 664218741 /nfs/dbraw/zinc/21/87/41/664218741.db2.gz RVVCQJFWOYEHJE-ZYHUDNBSSA-N 1 1 310.354 -1.987 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC000957797064 664218847 /nfs/dbraw/zinc/21/88/47/664218847.db2.gz BKXCAKYSSZAQSW-QWRGUYRKSA-N 1 1 310.354 -1.643 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000957792592 664218868 /nfs/dbraw/zinc/21/88/68/664218868.db2.gz CUVYJZPWGCAMID-STQMWFEESA-N 1 1 313.398 -1.090 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000957792592 664218870 /nfs/dbraw/zinc/21/88/70/664218870.db2.gz CUVYJZPWGCAMID-STQMWFEESA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O)C1CC1 ZINC000957799189 664218953 /nfs/dbraw/zinc/21/89/53/664218953.db2.gz WJWBCSXVHOTBKX-VXGBXAGGSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O)C1CC1 ZINC000957797541 664219247 /nfs/dbraw/zinc/21/92/47/664219247.db2.gz JFIUVFCHPJDJOP-VXGBXAGGSA-N 1 1 309.366 -1.046 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820524 664219510 /nfs/dbraw/zinc/21/95/10/664219510.db2.gz HCEQZKZLZSIWIA-CMPLNLGQSA-N 1 1 323.353 -1.388 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957820524 664219512 /nfs/dbraw/zinc/21/95/12/664219512.db2.gz HCEQZKZLZSIWIA-CMPLNLGQSA-N 1 1 323.353 -1.388 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835297 664219608 /nfs/dbraw/zinc/21/96/08/664219608.db2.gz UOMPMDRIWBOHDR-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1)N1CCC1 ZINC000957835297 664219610 /nfs/dbraw/zinc/21/96/10/664219610.db2.gz UOMPMDRIWBOHDR-WCQYABFASA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC000957838086 664220479 /nfs/dbraw/zinc/22/04/79/664220479.db2.gz IKMLFFNLPFKGOW-DGCLKSJQSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC000957841581 664220515 /nfs/dbraw/zinc/22/05/15/664220515.db2.gz FSVVPQXPBRUQHI-RYUDHWBXSA-N 1 1 323.353 -1.425 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc(C)cn2)[C@H](O)C1 ZINC000957837876 664220567 /nfs/dbraw/zinc/22/05/67/664220567.db2.gz GBFAMUXOOOXGNG-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(C)cn2)[C@H](O)C1 ZINC000957837876 664220570 /nfs/dbraw/zinc/22/05/70/664220570.db2.gz GBFAMUXOOOXGNG-ZYHUDNBSSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842802 664220619 /nfs/dbraw/zinc/22/06/19/664220619.db2.gz PDZBKTZQPNBLKM-RYUDHWBXSA-N 1 1 308.338 -1.912 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842802 664220624 /nfs/dbraw/zinc/22/06/24/664220624.db2.gz PDZBKTZQPNBLKM-RYUDHWBXSA-N 1 1 308.338 -1.912 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC000957841579 664220642 /nfs/dbraw/zinc/22/06/42/664220642.db2.gz FSVVPQXPBRUQHI-NEPJUHHUSA-N 1 1 323.353 -1.425 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848203 664220754 /nfs/dbraw/zinc/22/07/54/664220754.db2.gz XOZIEBJJLLEWJV-WCBMZHEXSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957848203 664220757 /nfs/dbraw/zinc/22/07/57/664220757.db2.gz XOZIEBJJLLEWJV-WCBMZHEXSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842801 664220811 /nfs/dbraw/zinc/22/08/11/664220811.db2.gz PDZBKTZQPNBLKM-NWDGAFQWSA-N 1 1 308.338 -1.912 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957842801 664220813 /nfs/dbraw/zinc/22/08/13/664220813.db2.gz PDZBKTZQPNBLKM-NWDGAFQWSA-N 1 1 308.338 -1.912 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)cn1 ZINC000957855830 664221312 /nfs/dbraw/zinc/22/13/12/664221312.db2.gz SUIUOQJAWYTWTI-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)cn1 ZINC000957855830 664221315 /nfs/dbraw/zinc/22/13/15/664221315.db2.gz SUIUOQJAWYTWTI-GXFFZTMASA-N 1 1 321.381 -1.279 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC000957878248 664221580 /nfs/dbraw/zinc/22/15/80/664221580.db2.gz JGFYKMMLJDRAJE-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)c2C)[C@H](O)C1 ZINC000957878248 664221581 /nfs/dbraw/zinc/22/15/81/664221581.db2.gz JGFYKMMLJDRAJE-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC000957878437 664221607 /nfs/dbraw/zinc/22/16/07/664221607.db2.gz MAOMNJJPKKNCDN-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1C ZINC000957878437 664221609 /nfs/dbraw/zinc/22/16/09/664221609.db2.gz MAOMNJJPKKNCDN-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnns1 ZINC000957886839 664222313 /nfs/dbraw/zinc/22/23/13/664222313.db2.gz OVLGXHJAZPQZEL-ZJUUUORDSA-N 1 1 323.382 -1.148 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893942 664222805 /nfs/dbraw/zinc/22/28/05/664222805.db2.gz GPHUFIINEPFWTQ-SKDRFNHKSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000957893942 664222810 /nfs/dbraw/zinc/22/28/10/664222810.db2.gz GPHUFIINEPFWTQ-SKDRFNHKSA-N 1 1 305.342 -1.239 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895557 664223154 /nfs/dbraw/zinc/22/31/54/664223154.db2.gz YMESHGGDHJEGRE-CMPLNLGQSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1)N1CCC1 ZINC000957895557 664223160 /nfs/dbraw/zinc/22/31/60/664223160.db2.gz YMESHGGDHJEGRE-CMPLNLGQSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cn[nH]c1 ZINC000957899105 664223196 /nfs/dbraw/zinc/22/31/96/664223196.db2.gz XAPOFAHDHVXEDJ-NWDGAFQWSA-N 1 1 322.369 -1.543 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC000957898731 664223290 /nfs/dbraw/zinc/22/32/90/664223290.db2.gz RACWYLXUALVOBQ-VXGBXAGGSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1)N1CCC1 ZINC000957898731 664223295 /nfs/dbraw/zinc/22/32/95/664223295.db2.gz RACWYLXUALVOBQ-VXGBXAGGSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898355 664223792 /nfs/dbraw/zinc/22/37/92/664223792.db2.gz OMVGEJXEFPUIBX-PWSUYJOCSA-N 1 1 307.354 -1.289 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1)NC1CC1 ZINC000957898355 664223795 /nfs/dbraw/zinc/22/37/95/664223795.db2.gz OMVGEJXEFPUIBX-PWSUYJOCSA-N 1 1 307.354 -1.289 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902387 664224223 /nfs/dbraw/zinc/22/42/23/664224223.db2.gz QKKYJAWRNAFNNJ-DTWKUNHWSA-N 1 1 313.383 -1.351 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnns2)C1 ZINC000957902387 664224225 /nfs/dbraw/zinc/22/42/25/664224225.db2.gz QKKYJAWRNAFNNJ-DTWKUNHWSA-N 1 1 313.383 -1.351 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ccon1 ZINC000957902518 664224240 /nfs/dbraw/zinc/22/42/40/664224240.db2.gz RTVHCDPOFXYAJK-PWSUYJOCSA-N 1 1 323.353 -1.278 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnsn1 ZINC000957902581 664224249 /nfs/dbraw/zinc/22/42/49/664224249.db2.gz SVCWEGAQXQIZDA-GXSJLCMTSA-N 1 1 323.382 -1.148 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2C)C1 ZINC000957902358 664224453 /nfs/dbraw/zinc/22/44/53/664224453.db2.gz QAZLXBIWXNJREK-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2C)C1 ZINC000957902358 664224457 /nfs/dbraw/zinc/22/44/57/664224457.db2.gz QAZLXBIWXNJREK-CMPLNLGQSA-N 1 1 307.354 -1.446 20 0 DAADMO Cn1nccc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000957905610 664224830 /nfs/dbraw/zinc/22/48/30/664224830.db2.gz LCFFMLSCOYFBPV-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911318 664224876 /nfs/dbraw/zinc/22/48/76/664224876.db2.gz PWPGPTVPNICBTM-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC000957911318 664224880 /nfs/dbraw/zinc/22/48/80/664224880.db2.gz PWPGPTVPNICBTM-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918416 664225484 /nfs/dbraw/zinc/22/54/84/664225484.db2.gz GSUSWXZTDBWXEE-MNOVXSKESA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918416 664225490 /nfs/dbraw/zinc/22/54/90/664225490.db2.gz GSUSWXZTDBWXEE-MNOVXSKESA-N 1 1 310.329 -1.011 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cocn1 ZINC000957925638 664225686 /nfs/dbraw/zinc/22/56/86/664225686.db2.gz DHVSHQRXMRPXFR-PWSUYJOCSA-N 1 1 323.353 -1.278 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918417 664225705 /nfs/dbraw/zinc/22/57/05/664225705.db2.gz GSUSWXZTDBWXEE-QWRGUYRKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(F)nc2)C1 ZINC000957918417 664225709 /nfs/dbraw/zinc/22/57/09/664225709.db2.gz GSUSWXZTDBWXEE-QWRGUYRKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC000957914936 664225765 /nfs/dbraw/zinc/22/57/65/664225765.db2.gz OCJTYZMKSKAKIB-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C)n(C)n2)[C@H](O)C1 ZINC000957914936 664225769 /nfs/dbraw/zinc/22/57/69/664225769.db2.gz OCJTYZMKSKAKIB-ZYHUDNBSSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925893 664226004 /nfs/dbraw/zinc/22/60/04/664226004.db2.gz HVZPAMXIJOTMBC-JQWIXIFHSA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1)N1CCC1 ZINC000957925893 664226010 /nfs/dbraw/zinc/22/60/10/664226010.db2.gz HVZPAMXIJOTMBC-JQWIXIFHSA-N 1 1 308.338 -1.071 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957934858 664226135 /nfs/dbraw/zinc/22/61/35/664226135.db2.gz DYQANPZGNYIDLX-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000957934858 664226137 /nfs/dbraw/zinc/22/61/37/664226137.db2.gz DYQANPZGNYIDLX-AAEUAGOBSA-N 1 1 323.397 -1.161 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)cn1 ZINC000957930931 664226235 /nfs/dbraw/zinc/22/62/35/664226235.db2.gz IYKMEETXDYTMII-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)cn1 ZINC000957930931 664226242 /nfs/dbraw/zinc/22/62/42/664226242.db2.gz IYKMEETXDYTMII-ZYHUDNBSSA-N 1 1 309.370 -1.329 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935110 664226260 /nfs/dbraw/zinc/22/62/60/664226260.db2.gz HGEFCBJCNAXWMM-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2n[nH]c(C)c2C)C1 ZINC000957935110 664226265 /nfs/dbraw/zinc/22/62/65/664226265.db2.gz HGEFCBJCNAXWMM-QWRGUYRKSA-N 1 1 309.370 -1.205 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)cn1 ZINC000957930928 664226358 /nfs/dbraw/zinc/22/63/58/664226358.db2.gz IYKMEETXDYTMII-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)cn1 ZINC000957930928 664226363 /nfs/dbraw/zinc/22/63/63/664226363.db2.gz IYKMEETXDYTMII-CMPLNLGQSA-N 1 1 309.370 -1.329 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927952 664226434 /nfs/dbraw/zinc/22/64/34/664226434.db2.gz UHLZBGWGGBOZOU-CABZTGNLSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cocn2)C1)NC1CC1 ZINC000957927952 664226439 /nfs/dbraw/zinc/22/64/39/664226439.db2.gz UHLZBGWGGBOZOU-CABZTGNLSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cocn1 ZINC000957929571 664226739 /nfs/dbraw/zinc/22/67/39/664226739.db2.gz AFBSWPKKVBGZOW-ZYHUDNBSSA-N 1 1 306.326 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957938796 664226807 /nfs/dbraw/zinc/22/68/07/664226807.db2.gz BCKIOHJVCHYCCI-DTWKUNHWSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957938796 664226811 /nfs/dbraw/zinc/22/68/11/664226811.db2.gz BCKIOHJVCHYCCI-DTWKUNHWSA-N 1 1 308.342 -2.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936535 664226968 /nfs/dbraw/zinc/22/69/68/664226968.db2.gz WOUYETRDPBMQOQ-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000957936535 664226972 /nfs/dbraw/zinc/22/69/72/664226972.db2.gz WOUYETRDPBMQOQ-PWSUYJOCSA-N 1 1 309.370 -1.503 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957939022 664227000 /nfs/dbraw/zinc/22/70/00/664227000.db2.gz FYFMTPQAAWTUKB-NXEZZACHSA-N 1 1 322.369 -1.831 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957939022 664227003 /nfs/dbraw/zinc/22/70/03/664227003.db2.gz FYFMTPQAAWTUKB-NXEZZACHSA-N 1 1 322.369 -1.831 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958580 664227194 /nfs/dbraw/zinc/22/71/94/664227194.db2.gz YMVYEPWAHDJIEH-RYUDHWBXSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958580 664227200 /nfs/dbraw/zinc/22/72/00/664227200.db2.gz YMVYEPWAHDJIEH-RYUDHWBXSA-N 1 1 322.365 -1.102 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC000957943117 664227265 /nfs/dbraw/zinc/22/72/65/664227265.db2.gz BSTUIYFRJKQVAA-ZYHUDNBSSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cncc(F)c2)[C@H](O)C1 ZINC000957943117 664227270 /nfs/dbraw/zinc/22/72/70/664227270.db2.gz BSTUIYFRJKQVAA-ZYHUDNBSSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC000957958190 664227652 /nfs/dbraw/zinc/22/76/52/664227652.db2.gz UWEUPQPYSKFGDI-GHMZBOCLSA-N 1 1 308.338 -1.444 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc[nH]c(=O)c2)[C@H](O)C1 ZINC000957958190 664227655 /nfs/dbraw/zinc/22/76/55/664227655.db2.gz UWEUPQPYSKFGDI-GHMZBOCLSA-N 1 1 308.338 -1.444 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958578 664227816 /nfs/dbraw/zinc/22/78/16/664227816.db2.gz YMVYEPWAHDJIEH-NEPJUHHUSA-N 1 1 322.365 -1.102 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000957958578 664227821 /nfs/dbraw/zinc/22/78/21/664227821.db2.gz YMVYEPWAHDJIEH-NEPJUHHUSA-N 1 1 322.365 -1.102 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991569 664229029 /nfs/dbraw/zinc/22/90/29/664229029.db2.gz SZEOKJHRIFRLQW-KBPBESRZSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2=CCOCC2)C1)N1CCC1 ZINC000957991569 664229036 /nfs/dbraw/zinc/22/90/36/664229036.db2.gz SZEOKJHRIFRLQW-KBPBESRZSA-N 1 1 323.393 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957997198 664229122 /nfs/dbraw/zinc/22/91/22/664229122.db2.gz WUZCUSGMDNWBRX-PSASIEDQSA-N 1 1 310.358 -2.229 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957997198 664229126 /nfs/dbraw/zinc/22/91/26/664229126.db2.gz WUZCUSGMDNWBRX-PSASIEDQSA-N 1 1 310.358 -2.229 20 0 DAADMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]21 ZINC000958000589 664230214 /nfs/dbraw/zinc/23/02/14/664230214.db2.gz BETWKJVQDKVAGX-NHAGDIPZSA-N 1 1 308.382 -1.257 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cnn1 ZINC000958010306 664230237 /nfs/dbraw/zinc/23/02/37/664230237.db2.gz KLGVOJBFFXZODE-CHWSQXEVSA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cnn1 ZINC000958010306 664230240 /nfs/dbraw/zinc/23/02/40/664230240.db2.gz KLGVOJBFFXZODE-CHWSQXEVSA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011368 664230257 /nfs/dbraw/zinc/23/02/57/664230257.db2.gz XHTLCQVXAQGMEW-NEPJUHHUSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnnc(C)c2)C1 ZINC000958011368 664230262 /nfs/dbraw/zinc/23/02/62/664230262.db2.gz XHTLCQVXAQGMEW-NEPJUHHUSA-N 1 1 307.354 -1.446 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1 ZINC000958010309 664230468 /nfs/dbraw/zinc/23/04/68/664230468.db2.gz KLGVOJBFFXZODE-STQMWFEESA-N 1 1 321.381 -1.104 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)cnn1 ZINC000958010309 664230472 /nfs/dbraw/zinc/23/04/72/664230472.db2.gz KLGVOJBFFXZODE-STQMWFEESA-N 1 1 321.381 -1.104 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000193 664230747 /nfs/dbraw/zinc/23/07/47/664230747.db2.gz VCPYLDKAYRHCJN-SKDRFNHKSA-N 1 1 310.329 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(F)cn2)C1 ZINC000958000193 664230752 /nfs/dbraw/zinc/23/07/52/664230752.db2.gz VCPYLDKAYRHCJN-SKDRFNHKSA-N 1 1 310.329 -1.011 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC000958019886 664231132 /nfs/dbraw/zinc/23/11/32/664231132.db2.gz GIFUAGXTMISONT-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958024677 664231226 /nfs/dbraw/zinc/23/12/26/664231226.db2.gz IFCCPRIXHZWJJU-MWLCHTKSSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)n1 ZINC000958024677 664231229 /nfs/dbraw/zinc/23/12/29/664231229.db2.gz IFCCPRIXHZWJJU-MWLCHTKSSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC000958020752 664231256 /nfs/dbraw/zinc/23/12/56/664231256.db2.gz UBHHAGQQFMESIN-VXGBXAGGSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2O)n1 ZINC000958020752 664231257 /nfs/dbraw/zinc/23/12/57/664231257.db2.gz UBHHAGQQFMESIN-VXGBXAGGSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)c3ncn(C)n3)C2)cn1 ZINC000958020750 664231268 /nfs/dbraw/zinc/23/12/68/664231268.db2.gz UBHHAGQQFMESIN-NWDGAFQWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](CNC(=O)c3ncn(C)n3)C2)cn1 ZINC000958020750 664231269 /nfs/dbraw/zinc/23/12/69/664231269.db2.gz UBHHAGQQFMESIN-NWDGAFQWSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958020416 664231274 /nfs/dbraw/zinc/23/12/74/664231274.db2.gz OVJKDSNPSQREQA-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958020416 664231275 /nfs/dbraw/zinc/23/12/75/664231275.db2.gz OVJKDSNPSQREQA-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958019979 664231277 /nfs/dbraw/zinc/23/12/77/664231277.db2.gz IKTYQSLNHAQXHB-QWRGUYRKSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC000958019979 664231278 /nfs/dbraw/zinc/23/12/78/664231278.db2.gz IKTYQSLNHAQXHB-QWRGUYRKSA-N 1 1 322.369 -1.930 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958019807 664231409 /nfs/dbraw/zinc/23/14/09/664231409.db2.gz FTYJYTRVPXWDCD-PWSUYJOCSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958019807 664231412 /nfs/dbraw/zinc/23/14/12/664231412.db2.gz FTYJYTRVPXWDCD-PWSUYJOCSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958024676 664231430 /nfs/dbraw/zinc/23/14/30/664231430.db2.gz IFCCPRIXHZWJJU-KOLCDFICSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)n1 ZINC000958024676 664231435 /nfs/dbraw/zinc/23/14/35/664231435.db2.gz IFCCPRIXHZWJJU-KOLCDFICSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC000958019887 664231478 /nfs/dbraw/zinc/23/14/78/664231478.db2.gz GIFUAGXTMISONT-WCQYABFASA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2O)nn1 ZINC000958035277 664231937 /nfs/dbraw/zinc/23/19/37/664231937.db2.gz CGILXCAFWSWWRR-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2O)nn1 ZINC000958035277 664231942 /nfs/dbraw/zinc/23/19/42/664231942.db2.gz CGILXCAFWSWWRR-ZWNOBZJWSA-N 1 1 319.369 -1.229 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958025298 664232017 /nfs/dbraw/zinc/23/20/17/664232017.db2.gz QIAFVRXSCDUTDZ-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1nncc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958025298 664232020 /nfs/dbraw/zinc/23/20/20/664232020.db2.gz QIAFVRXSCDUTDZ-ZYHUDNBSSA-N 1 1 324.385 -1.591 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958025047 664232050 /nfs/dbraw/zinc/23/20/50/664232050.db2.gz MMYUFVGVHVRPQX-NXEZZACHSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958025047 664232052 /nfs/dbraw/zinc/23/20/52/664232052.db2.gz MMYUFVGVHVRPQX-NXEZZACHSA-N 1 1 310.358 -2.074 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958025296 664232151 /nfs/dbraw/zinc/23/21/51/664232151.db2.gz QIAFVRXSCDUTDZ-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1nncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958025296 664232153 /nfs/dbraw/zinc/23/21/53/664232153.db2.gz QIAFVRXSCDUTDZ-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO Cn1nncc1C(=O)NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958035675 664232465 /nfs/dbraw/zinc/23/24/65/664232465.db2.gz JFTHTUYLKOUPCU-JQWIXIFHSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@@H]2O)nn1 ZINC000958036528 664233181 /nfs/dbraw/zinc/23/31/81/664233181.db2.gz QQMBTIHLLDJIRG-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2O)nn1 ZINC000958036528 664233187 /nfs/dbraw/zinc/23/31/87/664233187.db2.gz QQMBTIHLLDJIRG-MFKMUULPSA-N 1 1 319.369 -1.229 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958035632 664233291 /nfs/dbraw/zinc/23/32/91/664233291.db2.gz IRFLFWVRPVBUKK-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958035632 664233294 /nfs/dbraw/zinc/23/32/94/664233294.db2.gz IRFLFWVRPVBUKK-MWLCHTKSSA-N 1 1 310.358 -2.074 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958040560 664233537 /nfs/dbraw/zinc/23/35/37/664233537.db2.gz DMSURNXZJQTMSG-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1ncc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)n1 ZINC000958040560 664233542 /nfs/dbraw/zinc/23/35/42/664233542.db2.gz DMSURNXZJQTMSG-MWLCHTKSSA-N 1 1 310.358 -1.934 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958037049 664233797 /nfs/dbraw/zinc/23/37/97/664233797.db2.gz YVOGYGNZCCGVQP-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958037049 664233801 /nfs/dbraw/zinc/23/38/01/664233801.db2.gz YVOGYGNZCCGVQP-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC000958036842 664234083 /nfs/dbraw/zinc/23/40/83/664234083.db2.gz VHJGSXNXVBWFOU-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2O)nn1 ZINC000958036842 664234085 /nfs/dbraw/zinc/23/40/85/664234085.db2.gz VHJGSXNXVBWFOU-BXKDBHETSA-N 1 1 322.369 -1.884 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958041326 664234172 /nfs/dbraw/zinc/23/41/72/664234172.db2.gz LJYLRVKTQNYRHE-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cc1c[nH]nc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958041326 664234178 /nfs/dbraw/zinc/23/41/78/664234178.db2.gz LJYLRVKTQNYRHE-QWRGUYRKSA-N 1 1 309.370 -1.171 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036890 664234303 /nfs/dbraw/zinc/23/43/03/664234303.db2.gz WBCBLZVKJCAPRP-AAEUAGOBSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H](O)[C@@H](CNC(=O)c3cn(C)nn3)C2)cn1 ZINC000958036890 664234305 /nfs/dbraw/zinc/23/43/05/664234305.db2.gz WBCBLZVKJCAPRP-AAEUAGOBSA-N 1 1 319.369 -1.229 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056291 664234931 /nfs/dbraw/zinc/23/49/31/664234931.db2.gz MZAMTPQCDDDPQM-QWRGUYRKSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1)N1CCC1 ZINC000958056291 664234934 /nfs/dbraw/zinc/23/49/34/664234934.db2.gz MZAMTPQCDDDPQM-QWRGUYRKSA-N 1 1 307.354 -1.336 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1ncc[nH]1 ZINC000958056324 664234995 /nfs/dbraw/zinc/23/49/95/664234995.db2.gz NGUJGBHUMZSVMU-WDEREUQCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncc[nH]1 ZINC000958056323 664235099 /nfs/dbraw/zinc/23/50/99/664235099.db2.gz NGUJGBHUMZSVMU-QWRGUYRKSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1ncc[nH]1 ZINC000958051493 664235106 /nfs/dbraw/zinc/23/51/06/664235106.db2.gz PRARYFSPDSNCGW-QWRGUYRKSA-N 1 1 322.369 -1.543 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062164 664235183 /nfs/dbraw/zinc/23/51/83/664235183.db2.gz DOUVDQBIYKKUDI-GXSJLCMTSA-N 1 1 305.342 -1.239 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC000958062164 664235186 /nfs/dbraw/zinc/23/51/86/664235186.db2.gz DOUVDQBIYKKUDI-GXSJLCMTSA-N 1 1 305.342 -1.239 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064989 664235316 /nfs/dbraw/zinc/23/53/16/664235316.db2.gz XQJFXLGTIVGKRT-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958064989 664235322 /nfs/dbraw/zinc/23/53/22/664235322.db2.gz XQJFXLGTIVGKRT-QWRGUYRKSA-N 1 1 309.370 -1.503 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073683 664235722 /nfs/dbraw/zinc/23/57/22/664235722.db2.gz MPIDZOVUAJUSTC-JOYOIKCWSA-N 1 1 322.369 -1.489 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073683 664235724 /nfs/dbraw/zinc/23/57/24/664235724.db2.gz MPIDZOVUAJUSTC-JOYOIKCWSA-N 1 1 322.369 -1.489 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958070296 664235769 /nfs/dbraw/zinc/23/57/69/664235769.db2.gz ZQJKZWBOAAPDSG-GXSJLCMTSA-N 1 1 322.369 -1.950 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958070296 664235771 /nfs/dbraw/zinc/23/57/71/664235771.db2.gz ZQJKZWBOAAPDSG-GXSJLCMTSA-N 1 1 322.369 -1.950 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)ncn1 ZINC000958073940 664235785 /nfs/dbraw/zinc/23/57/85/664235785.db2.gz OMTCRUCTZZZTRP-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cncc2[nH]cnc21 ZINC000958082023 664235834 /nfs/dbraw/zinc/23/58/34/664235834.db2.gz UPQHIADTXDMCCO-CABZTGNLSA-N 1 1 305.338 -1.027 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958069547 664235930 /nfs/dbraw/zinc/23/59/30/664235930.db2.gz NZEXNKLBYQVMSY-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1ncc(Cl)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958069547 664235933 /nfs/dbraw/zinc/23/59/33/664235933.db2.gz NZEXNKLBYQVMSY-VXNVDRBHSA-N 1 1 315.761 -1.419 20 0 DAADMO CN(C)c1cnc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958068180 664235976 /nfs/dbraw/zinc/23/59/76/664235976.db2.gz FUAMBCGVUKYCAD-DGCLKSJQSA-N 1 1 323.397 -1.053 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc2n[nH]nc21 ZINC000958082090 664236167 /nfs/dbraw/zinc/23/61/67/664236167.db2.gz VFYBHJCLRRDKKU-BXKDBHETSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 ZINC000958073681 664236265 /nfs/dbraw/zinc/23/62/65/664236265.db2.gz MPIDZOVUAJUSTC-BXKDBHETSA-N 1 1 322.369 -1.489 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C3CCC3)nn2)[C@H](O)C1 ZINC000958073681 664236271 /nfs/dbraw/zinc/23/62/71/664236271.db2.gz MPIDZOVUAJUSTC-BXKDBHETSA-N 1 1 322.369 -1.489 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101175 664236665 /nfs/dbraw/zinc/23/66/65/664236665.db2.gz NSDNINOJEAUUKW-XCBNKYQSSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101175 664236669 /nfs/dbraw/zinc/23/66/69/664236669.db2.gz NSDNINOJEAUUKW-XCBNKYQSSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccn3nnnc23)[C@H](O)C1 ZINC000958090684 664236771 /nfs/dbraw/zinc/23/67/71/664236771.db2.gz BHTCXTFGOCHUOG-PSASIEDQSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccn3nnnc23)[C@H](O)C1 ZINC000958090684 664236772 /nfs/dbraw/zinc/23/67/72/664236772.db2.gz BHTCXTFGOCHUOG-PSASIEDQSA-N 1 1 319.325 -2.368 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101176 664236837 /nfs/dbraw/zinc/23/68/37/664236837.db2.gz NSDNINOJEAUUKW-XVKPBYJWSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101176 664236839 /nfs/dbraw/zinc/23/68/39/664236839.db2.gz NSDNINOJEAUUKW-XVKPBYJWSA-N 1 1 314.292 -1.132 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958091806 664236854 /nfs/dbraw/zinc/23/68/54/664236854.db2.gz JRGRXDUFSMRSAY-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958091806 664236857 /nfs/dbraw/zinc/23/68/57/664236857.db2.gz JRGRXDUFSMRSAY-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccn2nnnc12 ZINC000958091979 664236988 /nfs/dbraw/zinc/23/69/88/664236988.db2.gz KUHLUJDMYSFYDQ-ONGXEEELSA-N 1 1 306.326 -1.861 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100518 664237084 /nfs/dbraw/zinc/23/70/84/664237084.db2.gz CAZQLUUFWCBBPK-SCZZXKLOSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958100518 664237089 /nfs/dbraw/zinc/23/70/89/664237089.db2.gz CAZQLUUFWCBBPK-SCZZXKLOSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101174 664237164 /nfs/dbraw/zinc/23/71/64/664237164.db2.gz NSDNINOJEAUUKW-OIBJUYFYSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101174 664237166 /nfs/dbraw/zinc/23/71/66/664237166.db2.gz NSDNINOJEAUUKW-OIBJUYFYSA-N 1 1 314.292 -1.132 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097412 664237177 /nfs/dbraw/zinc/23/71/77/664237177.db2.gz YDHKJBXLFYCDRF-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnn2C(F)F)C1 ZINC000958097412 664237179 /nfs/dbraw/zinc/23/71/79/664237179.db2.gz YDHKJBXLFYCDRF-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC000958095897 664237320 /nfs/dbraw/zinc/23/73/20/664237320.db2.gz DEOFVPDQCCVWAX-ZYHUDNBSSA-N 1 1 302.396 -1.150 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097225 664237359 /nfs/dbraw/zinc/23/73/59/664237359.db2.gz VNVBBSHEGPBOPC-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 ZINC000958097225 664237361 /nfs/dbraw/zinc/23/73/61/664237361.db2.gz VNVBBSHEGPBOPC-CBAPKCEASA-N 1 1 317.296 -1.214 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC000958092688 664237376 /nfs/dbraw/zinc/23/73/76/664237376.db2.gz WWNDMHIKSNTYIC-CMPLNLGQSA-N 1 1 320.353 -1.207 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121583 664237478 /nfs/dbraw/zinc/23/74/78/664237478.db2.gz HKSUECJZWBYGGP-MFKMUULPSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121583 664237482 /nfs/dbraw/zinc/23/74/82/664237482.db2.gz HKSUECJZWBYGGP-MFKMUULPSA-N 1 1 321.381 -1.402 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C2CC2)n1 ZINC000958101530 664237602 /nfs/dbraw/zinc/23/76/02/664237602.db2.gz SMVURMKETSVKOT-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C2CC2)n1 ZINC000958101530 664237605 /nfs/dbraw/zinc/23/76/05/664237605.db2.gz SMVURMKETSVKOT-JQWIXIFHSA-N 1 1 321.381 -1.195 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnc2[nH]cnc21 ZINC000958105813 664237643 /nfs/dbraw/zinc/23/76/43/664237643.db2.gz MEEYVRXFWWSDIQ-MWLCHTKSSA-N 1 1 305.338 -1.027 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958113705 664237675 /nfs/dbraw/zinc/23/76/75/664237675.db2.gz ZUMHDQOZQNDHOX-ZWNOBZJWSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958113705 664237678 /nfs/dbraw/zinc/23/76/78/664237678.db2.gz ZUMHDQOZQNDHOX-ZWNOBZJWSA-N 1 1 321.381 -1.195 20 0 DAADMO COc1nc(C)ncc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958121257 664237707 /nfs/dbraw/zinc/23/77/07/664237707.db2.gz FHYZZLBIWNBIMH-JQWIXIFHSA-N 1 1 310.354 -1.192 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121915 664237738 /nfs/dbraw/zinc/23/77/38/664237738.db2.gz NHZNTCDXSPZNMD-JOYOIKCWSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121915 664237740 /nfs/dbraw/zinc/23/77/40/664237740.db2.gz NHZNTCDXSPZNMD-JOYOIKCWSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105803 664237806 /nfs/dbraw/zinc/23/78/06/664237806.db2.gz MAUAKVBNBSCILR-GXSJLCMTSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105803 664237809 /nfs/dbraw/zinc/23/78/09/664237809.db2.gz MAUAKVBNBSCILR-GXSJLCMTSA-N 1 1 318.337 -1.534 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958113704 664237836 /nfs/dbraw/zinc/23/78/36/664237836.db2.gz ZUMHDQOZQNDHOX-MFKMUULPSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958113704 664237839 /nfs/dbraw/zinc/23/78/39/664237839.db2.gz ZUMHDQOZQNDHOX-MFKMUULPSA-N 1 1 321.381 -1.195 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2[nH]cnc2c1 ZINC000958106731 664237850 /nfs/dbraw/zinc/23/78/50/664237850.db2.gz XBJWLYHEUBWSON-ZYHUDNBSSA-N 1 1 305.338 -1.027 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2[nH]cnc21 ZINC000958105812 664237903 /nfs/dbraw/zinc/23/79/03/664237903.db2.gz MEEYVRXFWWSDIQ-KOLCDFICSA-N 1 1 305.338 -1.027 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105806 664237984 /nfs/dbraw/zinc/23/79/84/664237984.db2.gz MAUAKVBNBSCILR-ONGXEEELSA-N 1 1 318.337 -1.534 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000958105806 664237988 /nfs/dbraw/zinc/23/79/88/664237988.db2.gz MAUAKVBNBSCILR-ONGXEEELSA-N 1 1 318.337 -1.534 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958113703 664237997 /nfs/dbraw/zinc/23/79/97/664237997.db2.gz ZUMHDQOZQNDHOX-GXFFZTMASA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958113703 664238002 /nfs/dbraw/zinc/23/80/02/664238002.db2.gz ZUMHDQOZQNDHOX-GXFFZTMASA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121914 664238074 /nfs/dbraw/zinc/23/80/74/664238074.db2.gz NHZNTCDXSPZNMD-CABZTGNLSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC000958121914 664238075 /nfs/dbraw/zinc/23/80/75/664238075.db2.gz NHZNTCDXSPZNMD-CABZTGNLSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121926 664238086 /nfs/dbraw/zinc/23/80/86/664238086.db2.gz NKWBJMOBSBLPDS-OIBJUYFYSA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3n[nH]nc3n2)C1 ZINC000958121926 664238087 /nfs/dbraw/zinc/23/80/87/664238087.db2.gz NKWBJMOBSBLPDS-OIBJUYFYSA-N 1 1 319.325 -2.139 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCO3)[C@H](O)C1 ZINC000958135947 664238321 /nfs/dbraw/zinc/23/83/21/664238321.db2.gz WBLPSKKWUGTYTH-ZYHUDNBSSA-N 1 1 310.354 -1.056 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1=COCCO1 ZINC000958138792 664238408 /nfs/dbraw/zinc/23/84/08/664238408.db2.gz LTINHWHFWMLUDG-COMAGPEQSA-N 1 1 321.333 -1.274 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC000958125717 664238422 /nfs/dbraw/zinc/23/84/22/664238422.db2.gz AUVVCBFQWDMENA-BXKDBHETSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3n(n2)CCC3)[C@H](O)C1 ZINC000958125717 664238425 /nfs/dbraw/zinc/23/84/25/664238425.db2.gz AUVVCBFQWDMENA-BXKDBHETSA-N 1 1 307.354 -1.663 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134726 664238431 /nfs/dbraw/zinc/23/84/31/664238431.db2.gz HOFSHYVGEXCENW-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccnc3ccnn32)C1 ZINC000958134726 664238434 /nfs/dbraw/zinc/23/84/34/664238434.db2.gz HOFSHYVGEXCENW-KOLCDFICSA-N 1 1 318.337 -1.763 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cc1C1CC1 ZINC000958126953 664238460 /nfs/dbraw/zinc/23/84/60/664238460.db2.gz UKNUWMIZIOEHSJ-GWCFXTLKSA-N 1 1 321.381 -1.195 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cc1C1CC1 ZINC000958126953 664238464 /nfs/dbraw/zinc/23/84/64/664238464.db2.gz UKNUWMIZIOEHSJ-GWCFXTLKSA-N 1 1 321.381 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130600 664238596 /nfs/dbraw/zinc/23/85/96/664238596.db2.gz GZEILXPRARRLPT-MFKMUULPSA-N 1 1 322.365 -1.405 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000958130600 664238601 /nfs/dbraw/zinc/23/86/01/664238601.db2.gz GZEILXPRARRLPT-MFKMUULPSA-N 1 1 322.365 -1.405 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958127527 664238789 /nfs/dbraw/zinc/23/87/89/664238789.db2.gz ZQCNQPNXDKAIAN-GXSJLCMTSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958127527 664238792 /nfs/dbraw/zinc/23/87/92/664238792.db2.gz ZQCNQPNXDKAIAN-GXSJLCMTSA-N 1 1 324.385 -1.459 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1=COCCO1 ZINC000958138794 664238867 /nfs/dbraw/zinc/23/88/67/664238867.db2.gz LTINHWHFWMLUDG-MPXOCVNLSA-N 1 1 321.333 -1.274 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958127529 664239107 /nfs/dbraw/zinc/23/91/07/664239107.db2.gz ZQCNQPNXDKAIAN-MWLCHTKSSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1 ZINC000958127529 664239110 /nfs/dbraw/zinc/23/91/10/664239110.db2.gz ZQCNQPNXDKAIAN-MWLCHTKSSA-N 1 1 324.385 -1.459 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135980 664239137 /nfs/dbraw/zinc/23/91/37/664239137.db2.gz WVLOOLDKYDTCLR-GXSJLCMTSA-N 1 1 323.353 -1.956 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC000958135980 664239143 /nfs/dbraw/zinc/23/91/43/664239143.db2.gz WVLOOLDKYDTCLR-GXSJLCMTSA-N 1 1 323.353 -1.956 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC000958149196 664239381 /nfs/dbraw/zinc/23/93/81/664239381.db2.gz OYNCSVAGZFQCGG-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC000958149196 664239385 /nfs/dbraw/zinc/23/93/85/664239385.db2.gz OYNCSVAGZFQCGG-MWLCHTKSSA-N 1 1 323.353 -2.451 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958144792 664239597 /nfs/dbraw/zinc/23/95/97/664239597.db2.gz FMYLCQZHHGVQNL-QWRGUYRKSA-N 1 1 322.365 -1.094 20 0 DAADMO COc1cc(C)cnc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958144792 664239600 /nfs/dbraw/zinc/23/96/00/664239600.db2.gz FMYLCQZHHGVQNL-QWRGUYRKSA-N 1 1 322.365 -1.094 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958149291 664239613 /nfs/dbraw/zinc/23/96/13/664239613.db2.gz QTEYRILQBZUVAP-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1=O ZINC000958149291 664239618 /nfs/dbraw/zinc/23/96/18/664239618.db2.gz QTEYRILQBZUVAP-PSASIEDQSA-N 1 1 309.326 -2.712 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3ccncc23)[C@H](O)C1 ZINC000958145282 664239902 /nfs/dbraw/zinc/23/99/02/664239902.db2.gz JADMJINSAIDRLT-BXKDBHETSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3ccncc23)[C@H](O)C1 ZINC000958145282 664239906 /nfs/dbraw/zinc/23/99/06/664239906.db2.gz JADMJINSAIDRLT-BXKDBHETSA-N 1 1 318.337 -1.763 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000958153065 664240169 /nfs/dbraw/zinc/24/01/69/664240169.db2.gz QIGORFNUVQHUGT-CCCLYZFWSA-N 1 1 303.322 -1.269 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2n[nH]nc2c1 ZINC000958150220 664240272 /nfs/dbraw/zinc/24/02/72/664240272.db2.gz ZYXJVBBPTNTXCQ-ONGXEEELSA-N 1 1 306.326 -1.632 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2n1CCOC2 ZINC000958152301 664240316 /nfs/dbraw/zinc/24/03/16/664240316.db2.gz NXEXMIQXEDFENV-AAEUAGOBSA-N 1 1 324.381 -1.182 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150187 664240370 /nfs/dbraw/zinc/24/03/70/664240370.db2.gz ZPJUKROOSDXENC-PWSUYJOCSA-N 1 1 321.381 -1.402 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCC3)C1 ZINC000958150187 664240372 /nfs/dbraw/zinc/24/03/72/664240372.db2.gz ZPJUKROOSDXENC-PWSUYJOCSA-N 1 1 321.381 -1.402 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc2n1CCOC2 ZINC000958152303 664240415 /nfs/dbraw/zinc/24/04/15/664240415.db2.gz NXEXMIQXEDFENV-WCQYABFASA-N 1 1 324.381 -1.182 20 0 DAADMO Cc1cc(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1C ZINC000958153465 664240567 /nfs/dbraw/zinc/24/05/67/664240567.db2.gz VBVLKVDOPXFJHJ-BXUZGUMPSA-N 1 1 309.366 -1.291 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958161235 664241169 /nfs/dbraw/zinc/24/11/69/664241169.db2.gz ICGHXMFLVWLITI-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958161235 664241171 /nfs/dbraw/zinc/24/11/71/664241171.db2.gz ICGHXMFLVWLITI-NWDGAFQWSA-N 1 1 323.397 -1.161 20 0 DAADMO COCc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958156920 664241182 /nfs/dbraw/zinc/24/11/82/664241182.db2.gz KOILXRMVVJOEEF-STQMWFEESA-N 1 1 322.365 -1.264 20 0 DAADMO COCc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC000958156920 664241183 /nfs/dbraw/zinc/24/11/83/664241183.db2.gz KOILXRMVVJOEEF-STQMWFEESA-N 1 1 322.365 -1.264 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168856 664241316 /nfs/dbraw/zinc/24/13/16/664241316.db2.gz YWXKTIRNSDQXDM-GXSJLCMTSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958168856 664241322 /nfs/dbraw/zinc/24/13/22/664241322.db2.gz YWXKTIRNSDQXDM-GXSJLCMTSA-N 1 1 323.353 -1.707 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958161234 664241393 /nfs/dbraw/zinc/24/13/93/664241393.db2.gz ICGHXMFLVWLITI-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO Cc1ncn(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC000958161234 664241399 /nfs/dbraw/zinc/24/13/99/664241399.db2.gz ICGHXMFLVWLITI-NEPJUHHUSA-N 1 1 323.397 -1.161 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155761 664241460 /nfs/dbraw/zinc/24/14/60/664241460.db2.gz DNXSZPRUIBPTDR-WDEREUQCSA-N 1 1 323.353 -1.707 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155761 664241468 /nfs/dbraw/zinc/24/14/68/664241468.db2.gz DNXSZPRUIBPTDR-WDEREUQCSA-N 1 1 323.353 -1.707 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167742 664241575 /nfs/dbraw/zinc/24/15/75/664241575.db2.gz OUZAWPZFLRCPRG-WCBMZHEXSA-N 1 1 309.326 -2.049 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC000958167742 664241576 /nfs/dbraw/zinc/24/15/76/664241576.db2.gz OUZAWPZFLRCPRG-WCBMZHEXSA-N 1 1 309.326 -2.049 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958174512 664242032 /nfs/dbraw/zinc/24/20/32/664242032.db2.gz FQQOQCHLYRTDNW-PSASIEDQSA-N 1 1 311.342 -1.684 20 0 DAADMO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)[nH]n1 ZINC000958174512 664242033 /nfs/dbraw/zinc/24/20/33/664242033.db2.gz FQQOQCHLYRTDNW-PSASIEDQSA-N 1 1 311.342 -1.684 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179091 664242047 /nfs/dbraw/zinc/24/20/47/664242047.db2.gz HJXBWOGEPRAFDQ-UWVGGRQHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179091 664242048 /nfs/dbraw/zinc/24/20/48/664242048.db2.gz HJXBWOGEPRAFDQ-UWVGGRQHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179093 664242072 /nfs/dbraw/zinc/24/20/72/664242072.db2.gz HJXBWOGEPRAFDQ-ZJUUUORDSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(=O)[nH]c1C ZINC000958179093 664242076 /nfs/dbraw/zinc/24/20/76/664242076.db2.gz HJXBWOGEPRAFDQ-ZJUUUORDSA-N 1 1 323.353 -1.693 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178907 664242372 /nfs/dbraw/zinc/24/23/72/664242372.db2.gz CYLRIULROHZPGD-KOLCDFICSA-N 1 1 323.353 -2.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn3c(n2)COCC3)C1 ZINC000958178907 664242374 /nfs/dbraw/zinc/24/23/74/664242374.db2.gz CYLRIULROHZPGD-KOLCDFICSA-N 1 1 323.353 -2.079 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1=O ZINC000958182679 664242564 /nfs/dbraw/zinc/24/25/64/664242564.db2.gz FADNQUAMTOOVJS-OLZOCXBDSA-N 1 1 309.366 -1.210 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958181191 664242595 /nfs/dbraw/zinc/24/25/95/664242595.db2.gz IBOXTMLYMKNSKP-SREGZZRCSA-N 1 1 319.325 -2.475 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)ccc21 ZINC000958183805 664242695 /nfs/dbraw/zinc/24/26/95/664242695.db2.gz QPSBWVHXVIUAGM-SMDDNHRTSA-N 1 1 319.365 -1.017 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)ccc21 ZINC000958183804 664242885 /nfs/dbraw/zinc/24/28/85/664242885.db2.gz QPSBWVHXVIUAGM-RISCZKNCSA-N 1 1 319.365 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182874 664242951 /nfs/dbraw/zinc/24/29/51/664242951.db2.gz HVYCAMAWQXURAQ-NEPJUHHUSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000958182874 664242955 /nfs/dbraw/zinc/24/29/55/664242955.db2.gz HVYCAMAWQXURAQ-NEPJUHHUSA-N 1 1 322.365 -1.846 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958190084 664243077 /nfs/dbraw/zinc/24/30/77/664243077.db2.gz APAFYEVDMLBJKA-QWHCGFSZSA-N 1 1 307.350 -1.200 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958190864 664243106 /nfs/dbraw/zinc/24/31/06/664243106.db2.gz OJUVCXKHNHFUGC-MFKMUULPSA-N 1 1 312.370 -1.419 20 0 DAADMO COCc1nn(C)cc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958190863 664243210 /nfs/dbraw/zinc/24/32/10/664243210.db2.gz OJUVCXKHNHFUGC-GXFFZTMASA-N 1 1 312.370 -1.419 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000958193328 664243269 /nfs/dbraw/zinc/24/32/69/664243269.db2.gz SEUJEXLOYXVZSP-IWIIMEHWSA-N 1 1 305.342 -2.048 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200311 664243808 /nfs/dbraw/zinc/24/38/08/664243808.db2.gz PVWMBWZFAQZLAD-RYUDHWBXSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958200311 664243809 /nfs/dbraw/zinc/24/38/09/664243809.db2.gz PVWMBWZFAQZLAD-RYUDHWBXSA-N 1 1 322.365 -1.141 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958202133 664243811 /nfs/dbraw/zinc/24/38/11/664243811.db2.gz ADUHCEUPJLBPTG-NEPJUHHUSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958202133 664243812 /nfs/dbraw/zinc/24/38/12/664243812.db2.gz ADUHCEUPJLBPTG-NEPJUHHUSA-N 1 1 321.381 -1.345 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cn[nH]n1 ZINC000958200693 664243821 /nfs/dbraw/zinc/24/38/21/664243821.db2.gz SOANUFQCIYKDJA-PWSUYJOCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958200693 664243824 /nfs/dbraw/zinc/24/38/24/664243824.db2.gz SOANUFQCIYKDJA-PWSUYJOCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958200693 664243826 /nfs/dbraw/zinc/24/38/26/664243826.db2.gz SOANUFQCIYKDJA-PWSUYJOCSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000958196796 664243891 /nfs/dbraw/zinc/24/38/91/664243891.db2.gz YHHJKSSQGSDRBM-ONGXEEELSA-N 1 1 321.337 -1.322 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC000958199966 664243922 /nfs/dbraw/zinc/24/39/22/664243922.db2.gz DVQXOQLGFUEGCR-MVVXRAEJSA-N 1 1 319.369 -1.613 20 0 DAADMO CN(C)Cc1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)no1 ZINC000958199926 664244036 /nfs/dbraw/zinc/24/40/36/664244036.db2.gz NCRJVJOQSDNDFQ-GXFFZTMASA-N 1 1 312.370 -1.249 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958202668 664244048 /nfs/dbraw/zinc/24/40/48/664244048.db2.gz JVDUAXDMNPCGRT-WDEREUQCSA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)ccc1=O ZINC000958202668 664244051 /nfs/dbraw/zinc/24/40/51/664244051.db2.gz JVDUAXDMNPCGRT-WDEREUQCSA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cn[nH]n1 ZINC000958200695 664244080 /nfs/dbraw/zinc/24/40/80/664244080.db2.gz SOANUFQCIYKDJA-ZYHUDNBSSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC000958200695 664244083 /nfs/dbraw/zinc/24/40/83/664244083.db2.gz SOANUFQCIYKDJA-ZYHUDNBSSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnn[nH]1 ZINC000958200695 664244085 /nfs/dbraw/zinc/24/40/85/664244085.db2.gz SOANUFQCIYKDJA-ZYHUDNBSSA-N 1 1 305.342 -1.276 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnn(CCF)c1 ZINC000958200279 664244129 /nfs/dbraw/zinc/24/41/29/664244129.db2.gz PFGTZOIPBPSAMH-PWSUYJOCSA-N 1 1 300.334 -1.133 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958202666 664244369 /nfs/dbraw/zinc/24/43/69/664244369.db2.gz JVDUAXDMNPCGRT-MNOVXSKESA-N 1 1 308.338 -2.107 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)ccc1=O ZINC000958202666 664244370 /nfs/dbraw/zinc/24/43/70/664244370.db2.gz JVDUAXDMNPCGRT-MNOVXSKESA-N 1 1 308.338 -2.107 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC000958205619 664244683 /nfs/dbraw/zinc/24/46/83/664244683.db2.gz BMJDDDXYDILFBZ-ONGXEEELSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958205619 664244688 /nfs/dbraw/zinc/24/46/88/664244688.db2.gz BMJDDDXYDILFBZ-ONGXEEELSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958205619 664244690 /nfs/dbraw/zinc/24/46/90/664244690.db2.gz BMJDDDXYDILFBZ-ONGXEEELSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cn[nH]n1 ZINC000958205617 664245024 /nfs/dbraw/zinc/24/50/24/664245024.db2.gz BMJDDDXYDILFBZ-KOLCDFICSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958205617 664245025 /nfs/dbraw/zinc/24/50/25/664245025.db2.gz BMJDDDXYDILFBZ-KOLCDFICSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnn[nH]1 ZINC000958205617 664245026 /nfs/dbraw/zinc/24/50/26/664245026.db2.gz BMJDDDXYDILFBZ-KOLCDFICSA-N 1 1 306.330 -1.881 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@@H]1O ZINC000958203764 664245062 /nfs/dbraw/zinc/24/50/62/664245062.db2.gz UTFBDCWDXZUKMX-SKDRFNHKSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1n[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@@H]1O ZINC000958203764 664245064 /nfs/dbraw/zinc/24/50/64/664245064.db2.gz UTFBDCWDXZUKMX-SKDRFNHKSA-N 1 1 309.370 -1.259 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cn[nH]n1 ZINC000958205616 664245771 /nfs/dbraw/zinc/24/57/71/664245771.db2.gz BMJDDDXYDILFBZ-GXSJLCMTSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnn[nH]1 ZINC000958205616 664245772 /nfs/dbraw/zinc/24/57/72/664245772.db2.gz BMJDDDXYDILFBZ-GXSJLCMTSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnn[nH]1 ZINC000958205616 664245779 /nfs/dbraw/zinc/24/57/79/664245779.db2.gz BMJDDDXYDILFBZ-GXSJLCMTSA-N 1 1 306.330 -1.881 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cn[nH]n1 ZINC000958206864 664245912 /nfs/dbraw/zinc/24/59/12/664245912.db2.gz OISIPYBTTDEPBV-CMPLNLGQSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206864 664245916 /nfs/dbraw/zinc/24/59/16/664245916.db2.gz OISIPYBTTDEPBV-CMPLNLGQSA-N 1 1 322.369 -1.550 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1cnn[nH]1 ZINC000958206864 664245920 /nfs/dbraw/zinc/24/59/20/664245920.db2.gz OISIPYBTTDEPBV-CMPLNLGQSA-N 1 1 322.369 -1.550 20 0 DAADMO CCCc1c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958209895 664246684 /nfs/dbraw/zinc/24/66/84/664246684.db2.gz DOUSLZIUNKXUGX-MFKMUULPSA-N 1 1 323.397 -1.120 20 0 DAADMO CCCc1c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cnn1C ZINC000958209895 664246687 /nfs/dbraw/zinc/24/66/87/664246687.db2.gz DOUSLZIUNKXUGX-MFKMUULPSA-N 1 1 323.397 -1.120 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000958219648 664247652 /nfs/dbraw/zinc/24/76/52/664247652.db2.gz LPHBNRBWKHZJSR-AAEUAGOBSA-N 1 1 324.381 -1.207 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(n1)OCCO2 ZINC000958214817 664247801 /nfs/dbraw/zinc/24/78/01/664247801.db2.gz NFTYWSTYVCIBLD-ZYHUDNBSSA-N 1 1 323.349 -1.132 20 0 DAADMO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000958214602 664247883 /nfs/dbraw/zinc/24/78/83/664247883.db2.gz JUUGMFLGPIOFIH-BDAKNGLRSA-N 1 1 317.367 -1.031 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958219949 664247980 /nfs/dbraw/zinc/24/79/80/664247980.db2.gz QFXOTKQMAYGBIA-ONGXEEELSA-N 1 1 323.353 -2.368 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958219949 664247981 /nfs/dbraw/zinc/24/79/81/664247981.db2.gz QFXOTKQMAYGBIA-ONGXEEELSA-N 1 1 323.353 -2.368 20 0 DAADMO CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](O)C1 ZINC000958214605 664248103 /nfs/dbraw/zinc/24/81/03/664248103.db2.gz JUUGMFLGPIOFIH-RKDXNWHRSA-N 1 1 317.367 -1.031 20 0 DAADMO CCOc1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958220461 664248127 /nfs/dbraw/zinc/24/81/27/664248127.db2.gz YTHMXKTWJWZZAL-WPRPVWTQSA-N 1 1 312.326 -1.419 20 0 DAADMO CCOc1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)co1 ZINC000958220461 664248131 /nfs/dbraw/zinc/24/81/31/664248131.db2.gz YTHMXKTWJWZZAL-WPRPVWTQSA-N 1 1 312.326 -1.419 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958219948 664248388 /nfs/dbraw/zinc/24/83/88/664248388.db2.gz QFXOTKQMAYGBIA-MWLCHTKSSA-N 1 1 323.353 -2.368 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958219948 664248389 /nfs/dbraw/zinc/24/83/89/664248389.db2.gz QFXOTKQMAYGBIA-MWLCHTKSSA-N 1 1 323.353 -2.368 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958228168 664248691 /nfs/dbraw/zinc/24/86/91/664248691.db2.gz MFBWBYXPOGHAFB-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958228168 664248694 /nfs/dbraw/zinc/24/86/94/664248694.db2.gz MFBWBYXPOGHAFB-AAEUAGOBSA-N 1 1 321.381 -1.325 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958234863 664248841 /nfs/dbraw/zinc/24/88/41/664248841.db2.gz BRDVCADGMSKFPD-GHMZBOCLSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958234863 664248843 /nfs/dbraw/zinc/24/88/43/664248843.db2.gz BRDVCADGMSKFPD-GHMZBOCLSA-N 1 1 308.338 -1.402 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cccc2ncnn21 ZINC000958229063 664249113 /nfs/dbraw/zinc/24/91/13/664249113.db2.gz XLWSMDRTFBTMMP-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958228170 664249198 /nfs/dbraw/zinc/24/91/98/664249198.db2.gz MFBWBYXPOGHAFB-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO Cn1cncc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958228170 664249203 /nfs/dbraw/zinc/24/92/03/664249203.db2.gz MFBWBYXPOGHAFB-WCQYABFASA-N 1 1 321.381 -1.325 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958234865 664249212 /nfs/dbraw/zinc/24/92/12/664249212.db2.gz BRDVCADGMSKFPD-QWRGUYRKSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958234865 664249217 /nfs/dbraw/zinc/24/92/17/664249217.db2.gz BRDVCADGMSKFPD-QWRGUYRKSA-N 1 1 308.338 -1.402 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncn2C)C1 ZINC000958228090 664249557 /nfs/dbraw/zinc/24/95/57/664249557.db2.gz LLHHUPXRZQVORZ-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cncn2C)C1 ZINC000958228090 664249568 /nfs/dbraw/zinc/24/95/68/664249568.db2.gz LLHHUPXRZQVORZ-JQWIXIFHSA-N 1 1 309.370 -1.469 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)o1 ZINC000958239392 664249860 /nfs/dbraw/zinc/24/98/60/664249860.db2.gz OCPKYZSPAHAOTO-VHSXEESVSA-N 1 1 311.338 -1.217 20 0 DAADMO COc1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)nn1C ZINC000958238535 664249869 /nfs/dbraw/zinc/24/98/69/664249869.db2.gz ACWCSBCMWTVIFZ-JQWIXIFHSA-N 1 1 312.370 -1.166 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1C ZINC000958243035 664249891 /nfs/dbraw/zinc/24/98/91/664249891.db2.gz HHBSIQHRQZDVML-VXGBXAGGSA-N 1 1 321.381 -1.090 20 0 DAADMO Cc1nc(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1C ZINC000958243035 664249892 /nfs/dbraw/zinc/24/98/92/664249892.db2.gz HHBSIQHRQZDVML-VXGBXAGGSA-N 1 1 321.381 -1.090 20 0 DAADMO COCCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958248721 664250032 /nfs/dbraw/zinc/25/00/32/664250032.db2.gz NQRFRRQEJJAJGO-AAEUAGOBSA-N 1 1 312.370 -1.456 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247858 664250073 /nfs/dbraw/zinc/25/00/73/664250073.db2.gz CNKOETFHSYVHEL-CBAPKCEASA-N 1 1 319.325 -2.139 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC000958247858 664250079 /nfs/dbraw/zinc/25/00/79/664250079.db2.gz CNKOETFHSYVHEL-CBAPKCEASA-N 1 1 319.325 -2.139 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240202 664250228 /nfs/dbraw/zinc/25/02/28/664250228.db2.gz YNCAKRWUMZYBGM-BDAKNGLRSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC000958240202 664250229 /nfs/dbraw/zinc/25/02/29/664250229.db2.gz YNCAKRWUMZYBGM-BDAKNGLRSA-N 1 1 324.337 -1.853 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cc1Cl ZINC000958242150 664250334 /nfs/dbraw/zinc/25/03/34/664250334.db2.gz AIXJFQFBGZUWRC-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1nc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cc1Cl ZINC000958242150 664250338 /nfs/dbraw/zinc/25/03/38/664250338.db2.gz AIXJFQFBGZUWRC-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO COCCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958248723 664250477 /nfs/dbraw/zinc/25/04/77/664250477.db2.gz NQRFRRQEJJAJGO-WCQYABFASA-N 1 1 312.370 -1.456 20 0 DAADMO COc1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)nn1C ZINC000958238537 664250618 /nfs/dbraw/zinc/25/06/18/664250618.db2.gz ACWCSBCMWTVIFZ-ZYHUDNBSSA-N 1 1 312.370 -1.166 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)o1 ZINC000958239390 664250654 /nfs/dbraw/zinc/25/06/54/664250654.db2.gz OCPKYZSPAHAOTO-NXEZZACHSA-N 1 1 311.338 -1.217 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958250368 664250921 /nfs/dbraw/zinc/25/09/21/664250921.db2.gz ZMWPYDWOLCQUKP-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958255149 664250946 /nfs/dbraw/zinc/25/09/46/664250946.db2.gz VNWXHUYEANAMHR-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958255149 664250949 /nfs/dbraw/zinc/25/09/49/664250949.db2.gz VNWXHUYEANAMHR-WPRPVWTQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958250372 664251073 /nfs/dbraw/zinc/25/10/73/664251073.db2.gz ZMWPYDWOLCQUKP-ZYHUDNBSSA-N 1 1 310.354 -1.110 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2nccn2c1 ZINC000958254383 664251130 /nfs/dbraw/zinc/25/11/30/664251130.db2.gz OOWDKKUMZVSKNB-PWSUYJOCSA-N 1 1 305.338 -1.256 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258645 664251143 /nfs/dbraw/zinc/25/11/43/664251143.db2.gz UVVYGZCXKMINIO-NEPJUHHUSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3ccnc3c2)C1 ZINC000958258645 664251145 /nfs/dbraw/zinc/25/11/45/664251145.db2.gz UVVYGZCXKMINIO-NEPJUHHUSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257952 664251147 /nfs/dbraw/zinc/25/11/47/664251147.db2.gz LIUJBAFNBASMCI-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257952 664251149 /nfs/dbraw/zinc/25/11/49/664251149.db2.gz LIUJBAFNBASMCI-JQWIXIFHSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257951 664251266 /nfs/dbraw/zinc/25/12/66/664251266.db2.gz LIUJBAFNBASMCI-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257951 664251268 /nfs/dbraw/zinc/25/12/68/664251268.db2.gz LIUJBAFNBASMCI-CMPLNLGQSA-N 1 1 317.349 -1.158 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958255146 664251343 /nfs/dbraw/zinc/25/13/43/664251343.db2.gz VNWXHUYEANAMHR-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO COc1nccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958255146 664251346 /nfs/dbraw/zinc/25/13/46/664251346.db2.gz VNWXHUYEANAMHR-PSASIEDQSA-N 1 1 309.326 -2.007 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253336 664251385 /nfs/dbraw/zinc/25/13/85/664251385.db2.gz HRRSVTJANGPYCK-ONGXEEELSA-N 1 1 323.353 -1.827 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3n(n2)CCCO3)C1 ZINC000958253336 664251388 /nfs/dbraw/zinc/25/13/88/664251388.db2.gz HRRSVTJANGPYCK-ONGXEEELSA-N 1 1 323.353 -1.827 20 0 DAADMO Cn1nnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958267360 664251598 /nfs/dbraw/zinc/25/15/98/664251598.db2.gz MWCKPEPSAKJRKN-CMPLNLGQSA-N 1 1 320.353 -1.622 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCO1)N1CCC1 ZINC000958268570 664251843 /nfs/dbraw/zinc/25/18/43/664251843.db2.gz LTWGVEUJXFHQIX-CZXHOFHRSA-N 1 1 309.366 -1.320 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC000958274096 664251871 /nfs/dbraw/zinc/25/18/71/664251871.db2.gz UUBQCPVLUQBIQA-PWSUYJOCSA-N 1 1 310.354 -1.551 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ncc1=O ZINC000958273186 664251988 /nfs/dbraw/zinc/25/19/88/664251988.db2.gz OULDEVMWWHEQIB-PWSUYJOCSA-N 1 1 310.354 -1.815 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC000958267886 664252032 /nfs/dbraw/zinc/25/20/32/664252032.db2.gz FWVDWYJNCCLFNB-QNWHQSFQSA-N 1 1 307.354 -1.223 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1 ZINC000958267886 664252033 /nfs/dbraw/zinc/25/20/33/664252033.db2.gz FWVDWYJNCCLFNB-QNWHQSFQSA-N 1 1 307.354 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277853 664252040 /nfs/dbraw/zinc/25/20/40/664252040.db2.gz QZZPPJNGWZULCW-VHSXEESVSA-N 1 1 324.337 -1.853 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC000958277853 664252041 /nfs/dbraw/zinc/25/20/41/664252041.db2.gz QZZPPJNGWZULCW-VHSXEESVSA-N 1 1 324.337 -1.853 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958282894 664252318 /nfs/dbraw/zinc/25/23/18/664252318.db2.gz BYSDCSPLRRTJOU-MFKMUULPSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958282894 664252325 /nfs/dbraw/zinc/25/23/25/664252325.db2.gz BYSDCSPLRRTJOU-MFKMUULPSA-N 1 1 321.381 -1.145 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958281999 664252443 /nfs/dbraw/zinc/25/24/43/664252443.db2.gz SYUKOVWXVJKDOC-SCZZXKLOSA-N 1 1 312.326 -1.548 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2coc(OC)n2)C1 ZINC000958281999 664252448 /nfs/dbraw/zinc/25/24/48/664252448.db2.gz SYUKOVWXVJKDOC-SCZZXKLOSA-N 1 1 312.326 -1.548 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290747 664252612 /nfs/dbraw/zinc/25/26/12/664252612.db2.gz GFSWPWMGCARZNN-ONGXEEELSA-N 1 1 308.338 -1.024 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnco2)C1)NC1CC1 ZINC000958290747 664252615 /nfs/dbraw/zinc/25/26/15/664252615.db2.gz GFSWPWMGCARZNN-ONGXEEELSA-N 1 1 308.338 -1.024 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958282892 664252638 /nfs/dbraw/zinc/25/26/38/664252638.db2.gz BYSDCSPLRRTJOU-GWCFXTLKSA-N 1 1 321.381 -1.145 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)nn1 ZINC000958282892 664252640 /nfs/dbraw/zinc/25/26/40/664252640.db2.gz BYSDCSPLRRTJOU-GWCFXTLKSA-N 1 1 321.381 -1.145 20 0 DAADMO NC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)co1 ZINC000958281061 664252729 /nfs/dbraw/zinc/25/27/29/664252729.db2.gz GLMLNOUGYAPYIC-WDEREUQCSA-N 1 1 311.338 -1.217 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC000958278762 664252970 /nfs/dbraw/zinc/25/29/70/664252970.db2.gz WUIQUOKQFFCKRR-RKDXNWHRSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2coc(C(N)=O)c2)[C@H](O)C1 ZINC000958278762 664252971 /nfs/dbraw/zinc/25/29/71/664252971.db2.gz WUIQUOKQFFCKRR-RKDXNWHRSA-N 1 1 310.310 -2.114 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1ccn[nH]1 ZINC000958297547 664253151 /nfs/dbraw/zinc/25/31/51/664253151.db2.gz KMXJSDHKTIDGRX-GDGBQDQQSA-N 1 1 318.337 -1.379 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1cnco1 ZINC000958300762 664253220 /nfs/dbraw/zinc/25/32/20/664253220.db2.gz WDWACWJSZIQDLA-MNOVXSKESA-N 1 1 306.326 -1.011 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958300591 664253314 /nfs/dbraw/zinc/25/33/14/664253314.db2.gz SKBRAHADWSQKKD-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958300591 664253317 /nfs/dbraw/zinc/25/33/17/664253317.db2.gz SKBRAHADWSQKKD-WCQYABFASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958296152 664253455 /nfs/dbraw/zinc/25/34/55/664253455.db2.gz CLOGMUAUDPSZNZ-WDEREUQCSA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1nn(C)c(C)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958296152 664253458 /nfs/dbraw/zinc/25/34/58/664253458.db2.gz CLOGMUAUDPSZNZ-WDEREUQCSA-N 1 1 309.370 -1.455 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958300589 664253549 /nfs/dbraw/zinc/25/35/49/664253549.db2.gz SKBRAHADWSQKKD-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1n[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC000958300589 664253551 /nfs/dbraw/zinc/25/35/51/664253551.db2.gz SKBRAHADWSQKKD-AAEUAGOBSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC000958293115 664253651 /nfs/dbraw/zinc/25/36/51/664253651.db2.gz SRUSNRACCTXSLR-QNWHQSFQSA-N 1 1 324.381 -1.527 20 0 DAADMO COc1nn(C)cc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC000958309008 664254179 /nfs/dbraw/zinc/25/41/79/664254179.db2.gz FGMGLEMGRMYCNV-ZYHUDNBSSA-N 1 1 312.370 -1.166 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310301 664254642 /nfs/dbraw/zinc/25/46/42/664254642.db2.gz ZOZFEJDGHMKSGO-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3cccnc23)C1 ZINC000958310301 664254645 /nfs/dbraw/zinc/25/46/45/664254645.db2.gz ZOZFEJDGHMKSGO-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC000958313456 664254812 /nfs/dbraw/zinc/25/48/12/664254812.db2.gz OUGVNDCQLGCLNC-QWRGUYRKSA-N 1 1 310.354 -1.186 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC000958313316 664254908 /nfs/dbraw/zinc/25/49/08/664254908.db2.gz MREZSCKAGLQNLN-RYUDHWBXSA-N 1 1 324.381 -1.588 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnn2cccnc12 ZINC000958309180 664255109 /nfs/dbraw/zinc/25/51/09/664255109.db2.gz IAUWJDIJQDCRAA-ZYHUDNBSSA-N 1 1 305.338 -1.256 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC000958313457 664255133 /nfs/dbraw/zinc/25/51/33/664255133.db2.gz OUGVNDCQLGCLNC-WDEREUQCSA-N 1 1 310.354 -1.186 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)n1 ZINC000958315990 664255150 /nfs/dbraw/zinc/25/51/50/664255150.db2.gz CRBWBNUEWBONNA-NEPJUHHUSA-N 1 1 317.353 -1.172 20 0 DAADMO COc1ccnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958314026 664255180 /nfs/dbraw/zinc/25/51/80/664255180.db2.gz YKVWDKKPALKGEH-BXKDBHETSA-N 1 1 308.338 -1.402 20 0 DAADMO COc1ccnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC000958314026 664255181 /nfs/dbraw/zinc/25/51/81/664255181.db2.gz YKVWDKKPALKGEH-BXKDBHETSA-N 1 1 308.338 -1.402 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958312682 664255187 /nfs/dbraw/zinc/25/51/87/664255187.db2.gz DLCNGAFOWLVAKC-NXEZZACHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c1C ZINC000958312682 664255189 /nfs/dbraw/zinc/25/51/89/664255189.db2.gz DLCNGAFOWLVAKC-NXEZZACHSA-N 1 1 323.353 -1.693 20 0 DAADMO Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1C ZINC000958313314 664255226 /nfs/dbraw/zinc/25/52/26/664255226.db2.gz MREZSCKAGLQNLN-NEPJUHHUSA-N 1 1 324.381 -1.588 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1=O ZINC000958317034 664255723 /nfs/dbraw/zinc/25/57/23/664255723.db2.gz QXWBHNQRZJGOAW-WCBMZHEXSA-N 1 1 312.326 -2.499 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1=O ZINC000958317033 664255961 /nfs/dbraw/zinc/25/59/61/664255961.db2.gz QXWBHNQRZJGOAW-SCZZXKLOSA-N 1 1 312.326 -2.499 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316395 664256064 /nfs/dbraw/zinc/25/60/64/664256064.db2.gz HUKMRYZRODTBDP-ONGXEEELSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958316395 664256067 /nfs/dbraw/zinc/25/60/67/664256067.db2.gz HUKMRYZRODTBDP-ONGXEEELSA-N 1 1 320.357 -1.834 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)c1=O ZINC000958317035 664256325 /nfs/dbraw/zinc/25/63/25/664256325.db2.gz QXWBHNQRZJGOAW-WPRPVWTQSA-N 1 1 312.326 -2.499 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319370 664257041 /nfs/dbraw/zinc/25/70/41/664257041.db2.gz KXFQRZMXGFFDCX-CYDRSHDDSA-N 1 1 321.381 -1.384 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319370 664257044 /nfs/dbraw/zinc/25/70/44/664257044.db2.gz KXFQRZMXGFFDCX-CYDRSHDDSA-N 1 1 321.381 -1.384 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319794 664257250 /nfs/dbraw/zinc/25/72/50/664257250.db2.gz MLFKVVJIWMBWGU-BYNIDDHOSA-N 1 1 311.382 -1.624 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958319794 664257253 /nfs/dbraw/zinc/25/72/53/664257253.db2.gz MLFKVVJIWMBWGU-BYNIDDHOSA-N 1 1 311.382 -1.624 20 0 DAADMO Cn1cnc2cc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958321102 664257477 /nfs/dbraw/zinc/25/74/77/664257477.db2.gz SHZFSTJCEXSBSZ-AAEUAGOBSA-N 1 1 319.365 -1.017 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC000958319306 664257597 /nfs/dbraw/zinc/25/75/97/664257597.db2.gz KGOPMKCPDVGQQB-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c(C)cnn2C)[C@H](O)C1 ZINC000958319306 664257599 /nfs/dbraw/zinc/25/75/99/664257599.db2.gz KGOPMKCPDVGQQB-GHMZBOCLSA-N 1 1 309.370 -1.503 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)NC1CC1 ZINC000958319350 664257602 /nfs/dbraw/zinc/25/76/02/664257602.db2.gz KWAOUGSXECDHAM-APACUCGBSA-N 1 1 323.393 -1.434 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1)NC1CC1 ZINC000958319350 664257603 /nfs/dbraw/zinc/25/76/03/664257603.db2.gz KWAOUGSXECDHAM-APACUCGBSA-N 1 1 323.393 -1.434 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958328580 664257819 /nfs/dbraw/zinc/25/78/19/664257819.db2.gz JKEMZKXCHAZTSN-QWRGUYRKSA-N 1 1 320.357 -1.871 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC000958328833 664257836 /nfs/dbraw/zinc/25/78/36/664257836.db2.gz NQTAKCNKAXBLGY-ZYHUDNBSSA-N 1 1 324.385 -1.198 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958324857 664258223 /nfs/dbraw/zinc/25/82/23/664258223.db2.gz LJRJWAPTKMUTHS-RGDJUOJXSA-N 1 1 321.381 -1.421 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2O)n1 ZINC000958328831 664258452 /nfs/dbraw/zinc/25/84/52/664258452.db2.gz NQTAKCNKAXBLGY-JQWIXIFHSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)n1 ZINC000958329096 664258903 /nfs/dbraw/zinc/25/89/03/664258903.db2.gz RXAQEXPOMLBYNI-HVSMVGKISA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)n1 ZINC000958329096 664258905 /nfs/dbraw/zinc/25/89/05/664258905.db2.gz RXAQEXPOMLBYNI-HVSMVGKISA-N 1 1 300.750 -1.015 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC000958329357 664259044 /nfs/dbraw/zinc/25/90/44/664259044.db2.gz XKTSCRGQNDEKRQ-WPRPVWTQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)n1 ZINC000958329357 664259050 /nfs/dbraw/zinc/25/90/50/664259050.db2.gz XKTSCRGQNDEKRQ-WPRPVWTQSA-N 1 1 323.382 -1.111 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958345019 664259576 /nfs/dbraw/zinc/25/95/76/664259576.db2.gz KUNAGBRVDXTEBM-DTWKUNHWSA-N 1 1 309.326 -2.002 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958345019 664259578 /nfs/dbraw/zinc/25/95/78/664259578.db2.gz KUNAGBRVDXTEBM-DTWKUNHWSA-N 1 1 309.326 -2.002 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958349357 664260177 /nfs/dbraw/zinc/26/01/77/664260177.db2.gz IVDLEZQAPPIXIF-GXSJLCMTSA-N 1 1 311.338 -1.678 20 0 DAADMO Cn1nnc2c1nccc2C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958348821 664260436 /nfs/dbraw/zinc/26/04/36/664260436.db2.gz ACVIUFHDWLKXDU-GXSJLCMTSA-N 1 1 320.353 -1.622 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359032 664261116 /nfs/dbraw/zinc/26/11/16/664261116.db2.gz AIKBSRRDYMGRIH-CABZTGNLSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3nonc3c2)C1 ZINC000958359032 664261117 /nfs/dbraw/zinc/26/11/17/664261117.db2.gz AIKBSRRDYMGRIH-CABZTGNLSA-N 1 1 319.321 -1.269 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958351240 664261212 /nfs/dbraw/zinc/26/12/12/664261212.db2.gz YIAUHXJTRKTDDE-WPRPVWTQSA-N 1 1 324.337 -2.185 20 0 DAADMO NC(=O)Cc1occc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958351240 664261215 /nfs/dbraw/zinc/26/12/15/664261215.db2.gz YIAUHXJTRKTDDE-WPRPVWTQSA-N 1 1 324.337 -2.185 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1)N1CCOCC1 ZINC000958360533 664261293 /nfs/dbraw/zinc/26/12/93/664261293.db2.gz LBOHHVFXRBFMSC-CXTNEJHOSA-N 1 1 323.393 -1.072 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1)N1CCOCC1 ZINC000958360533 664261296 /nfs/dbraw/zinc/26/12/96/664261296.db2.gz LBOHHVFXRBFMSC-CXTNEJHOSA-N 1 1 323.393 -1.072 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958377163 664262342 /nfs/dbraw/zinc/26/23/42/664262342.db2.gz ASEUUYJJTYXPJE-SRRSOLGSSA-N 1 1 305.386 -1.149 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385328 664262954 /nfs/dbraw/zinc/26/29/54/664262954.db2.gz RHPUMUZJLYCAQH-SCZZXKLOSA-N 1 1 313.333 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2n[nH]cc2F)C1 ZINC000958385328 664262955 /nfs/dbraw/zinc/26/29/55/664262955.db2.gz RHPUMUZJLYCAQH-SCZZXKLOSA-N 1 1 313.333 -1.341 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389592 664262976 /nfs/dbraw/zinc/26/29/76/664262976.db2.gz IQWAZXUALSVHPK-BDAKNGLRSA-N 1 1 310.310 -2.114 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC000958389592 664262980 /nfs/dbraw/zinc/26/29/80/664262980.db2.gz IQWAZXUALSVHPK-BDAKNGLRSA-N 1 1 310.310 -2.114 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394760 664263527 /nfs/dbraw/zinc/26/35/27/664263527.db2.gz JGDKBZZAXQRPLX-PWSUYJOCSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000958394760 664263530 /nfs/dbraw/zinc/26/35/30/664263530.db2.gz JGDKBZZAXQRPLX-PWSUYJOCSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395024 664263543 /nfs/dbraw/zinc/26/35/43/664263543.db2.gz NCKNPPQRKHLOCD-PWSUYJOCSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395024 664263544 /nfs/dbraw/zinc/26/35/44/664263544.db2.gz NCKNPPQRKHLOCD-PWSUYJOCSA-N 1 1 322.365 -1.846 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)[C@H](O)C1 ZINC000958395066 664263562 /nfs/dbraw/zinc/26/35/62/664263562.db2.gz NSHOCCDQRMTLHN-HZGVNTEJSA-N 1 1 317.296 -1.145 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)[C@H](O)C1 ZINC000958395066 664263564 /nfs/dbraw/zinc/26/35/64/664263564.db2.gz NSHOCCDQRMTLHN-HZGVNTEJSA-N 1 1 317.296 -1.145 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958395095 664263629 /nfs/dbraw/zinc/26/36/29/664263629.db2.gz ODHSKFLQZQMCKT-KOLCDFICSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958395095 664263631 /nfs/dbraw/zinc/26/36/31/664263631.db2.gz ODHSKFLQZQMCKT-KOLCDFICSA-N 1 1 308.338 -1.397 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395022 664263852 /nfs/dbraw/zinc/26/38/52/664263852.db2.gz NCKNPPQRKHLOCD-CMPLNLGQSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC000958395022 664263857 /nfs/dbraw/zinc/26/38/57/664263857.db2.gz NCKNPPQRKHLOCD-CMPLNLGQSA-N 1 1 322.365 -1.846 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC000958394904 664264093 /nfs/dbraw/zinc/26/40/93/664264093.db2.gz LKYHWRSQNYFGIK-IONNQARKSA-N 1 1 317.371 -1.901 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408849 664264310 /nfs/dbraw/zinc/26/43/10/664264310.db2.gz MFBOQSOQNFODSX-KWQFWETISA-N 1 1 323.353 -2.118 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000958408849 664264311 /nfs/dbraw/zinc/26/43/11/664264311.db2.gz MFBOQSOQNFODSX-KWQFWETISA-N 1 1 323.353 -2.118 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958409535 664264313 /nfs/dbraw/zinc/26/43/13/664264313.db2.gz UPOXFRDXQITVIS-ZJUUUORDSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958409535 664264314 /nfs/dbraw/zinc/26/43/14/664264314.db2.gz UPOXFRDXQITVIS-ZJUUUORDSA-N 1 1 324.385 -1.459 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)[C@H](O)C1 ZINC000958412251 664264386 /nfs/dbraw/zinc/26/43/86/664264386.db2.gz AZALONXZOLMLSL-BXKDBHETSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)[C@H](O)C1 ZINC000958412251 664264388 /nfs/dbraw/zinc/26/43/88/664264388.db2.gz AZALONXZOLMLSL-BXKDBHETSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412252 664264591 /nfs/dbraw/zinc/26/45/91/664264591.db2.gz AZALONXZOLMLSL-CABZTGNLSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000958412252 664264594 /nfs/dbraw/zinc/26/45/94/664264594.db2.gz AZALONXZOLMLSL-CABZTGNLSA-N 1 1 307.354 -1.205 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958409534 664264795 /nfs/dbraw/zinc/26/47/95/664264795.db2.gz UPOXFRDXQITVIS-VHSXEESVSA-N 1 1 324.385 -1.459 20 0 DAADMO CC(C)(C)n1cnc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958409534 664264799 /nfs/dbraw/zinc/26/47/99/664264799.db2.gz UPOXFRDXQITVIS-VHSXEESVSA-N 1 1 324.385 -1.459 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958413150 664264916 /nfs/dbraw/zinc/26/49/16/664264916.db2.gz NCHQNCHWFUXBBO-WPRPVWTQSA-N 1 1 324.337 -1.696 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958413150 664264920 /nfs/dbraw/zinc/26/49/20/664264920.db2.gz NCHQNCHWFUXBBO-WPRPVWTQSA-N 1 1 324.337 -1.696 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958429627 664265236 /nfs/dbraw/zinc/26/52/36/664265236.db2.gz LHCOAONBJLELGQ-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1nc(C)cc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958429627 664265240 /nfs/dbraw/zinc/26/52/40/664265240.db2.gz LHCOAONBJLELGQ-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1nccn2ccnc12 ZINC000958418567 664265342 /nfs/dbraw/zinc/26/53/42/664265342.db2.gz SSRHRFBLASNHKS-MNOVXSKESA-N 1 1 305.338 -1.256 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958431194 664265531 /nfs/dbraw/zinc/26/55/31/664265531.db2.gz DSAOYSFDWVGTQG-QCLAVDOMSA-N 1 1 302.338 -1.393 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429667 664265783 /nfs/dbraw/zinc/26/57/83/664265783.db2.gz MAIOKTSVJPWDSC-STQMWFEESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)N1CCC1 ZINC000958429667 664265784 /nfs/dbraw/zinc/26/57/84/664265784.db2.gz MAIOKTSVJPWDSC-STQMWFEESA-N 1 1 319.365 -1.269 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)c(C)n1 ZINC000958435631 664266014 /nfs/dbraw/zinc/26/60/14/664266014.db2.gz QATRNDLMZPKTRI-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)c(C)n1 ZINC000958435631 664266018 /nfs/dbraw/zinc/26/60/18/664266018.db2.gz QATRNDLMZPKTRI-WCQYABFASA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)c(C)n1 ZINC000958435632 664266239 /nfs/dbraw/zinc/26/62/39/664266239.db2.gz QATRNDLMZPKTRI-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)c(C)n1 ZINC000958435632 664266242 /nfs/dbraw/zinc/26/62/42/664266242.db2.gz QATRNDLMZPKTRI-YPMHNXCESA-N 1 1 323.397 -1.020 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958436020 664266255 /nfs/dbraw/zinc/26/62/55/664266255.db2.gz SRGSFMVZSYQIRU-GXSJLCMTSA-N 1 1 308.338 -1.397 20 0 DAADMO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(=O)[nH]1 ZINC000958436020 664266257 /nfs/dbraw/zinc/26/62/57/664266257.db2.gz SRGSFMVZSYQIRU-GXSJLCMTSA-N 1 1 308.338 -1.397 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436678 664266523 /nfs/dbraw/zinc/26/65/23/664266523.db2.gz YYIYVCLZFFFZDX-WCQYABFASA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1)NC1CC1 ZINC000958436678 664266526 /nfs/dbraw/zinc/26/65/26/664266526.db2.gz YYIYVCLZFFFZDX-WCQYABFASA-N 1 1 319.365 -1.222 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000958448333 664266574 /nfs/dbraw/zinc/26/65/74/664266574.db2.gz NVDJTLQRHDFAGX-CMPLNLGQSA-N 1 1 324.381 -1.484 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC000958431675 664266645 /nfs/dbraw/zinc/26/66/45/664266645.db2.gz INTHCVIRBUWJSO-YTWAJWBKSA-N 1 1 316.365 -1.003 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)[C@H](O)C1 ZINC000958434825 664266666 /nfs/dbraw/zinc/26/66/66/664266666.db2.gz KVYZNWJBZMXYMH-ZYHUDNBSSA-N 1 1 322.365 -1.136 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)[C@H](O)C1 ZINC000958434825 664266668 /nfs/dbraw/zinc/26/66/68/664266668.db2.gz KVYZNWJBZMXYMH-ZYHUDNBSSA-N 1 1 322.365 -1.136 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958435156 664266689 /nfs/dbraw/zinc/26/66/89/664266689.db2.gz NHVCOJKWHBJZLW-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(C)n1 ZINC000958435156 664266691 /nfs/dbraw/zinc/26/66/91/664266691.db2.gz NHVCOJKWHBJZLW-ZYHUDNBSSA-N 1 1 309.370 -1.281 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452839 664266967 /nfs/dbraw/zinc/26/69/67/664266967.db2.gz HRSAWSVOQFVGIK-JQWIXIFHSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452839 664266969 /nfs/dbraw/zinc/26/69/69/664266969.db2.gz HRSAWSVOQFVGIK-JQWIXIFHSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2csc3cncn32)[C@H](O)C1 ZINC000958453452 664267029 /nfs/dbraw/zinc/26/70/29/664267029.db2.gz NVVIUBJIXUTDQO-PSASIEDQSA-N 1 1 323.378 -1.096 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2csc3cncn32)[C@H](O)C1 ZINC000958453452 664267032 /nfs/dbraw/zinc/26/70/32/664267032.db2.gz NVVIUBJIXUTDQO-PSASIEDQSA-N 1 1 323.378 -1.096 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nnn1C ZINC000958461589 664267346 /nfs/dbraw/zinc/26/73/46/664267346.db2.gz QMMSVINUFPZLSO-KLBPJQLPSA-N 1 1 304.354 -1.328 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452838 664267409 /nfs/dbraw/zinc/26/74/09/664267409.db2.gz HRSAWSVOQFVGIK-CMPLNLGQSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC000958452838 664267413 /nfs/dbraw/zinc/26/74/13/664267413.db2.gz HRSAWSVOQFVGIK-CMPLNLGQSA-N 1 1 319.365 -1.138 20 0 DAADMO COc1c(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c(C)nn1C ZINC000958449732 664267539 /nfs/dbraw/zinc/26/75/39/664267539.db2.gz WTOUXPXYPJYLOH-GHMZBOCLSA-N 1 1 312.370 -1.248 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc(C3CC3)nc2)[C@H](O)C1 ZINC000958462915 664267553 /nfs/dbraw/zinc/26/75/53/664267553.db2.gz IVRBQJSGXAGCCF-VXGBXAGGSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnc(C3CC3)nc2)[C@H](O)C1 ZINC000958462915 664267555 /nfs/dbraw/zinc/26/75/55/664267555.db2.gz IVRBQJSGXAGCCF-VXGBXAGGSA-N 1 1 319.365 -1.138 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2cccnn21 ZINC000958454598 664267564 /nfs/dbraw/zinc/26/75/64/664267564.db2.gz XLVXYIMDTHFSRE-CMPLNLGQSA-N 1 1 305.338 -1.256 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958463034 664268189 /nfs/dbraw/zinc/26/81/89/664268189.db2.gz KMGGJPAIOXHDAD-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)n1 ZINC000958463034 664268190 /nfs/dbraw/zinc/26/81/90/664268190.db2.gz KMGGJPAIOXHDAD-PWSUYJOCSA-N 1 1 309.370 -1.329 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466839 664268295 /nfs/dbraw/zinc/26/82/95/664268295.db2.gz BHRQEMFJSCQZIJ-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3cccnn32)C1 ZINC000958466839 664268300 /nfs/dbraw/zinc/26/83/00/664268300.db2.gz BHRQEMFJSCQZIJ-MFKMUULPSA-N 1 1 317.349 -1.158 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958470388 664268432 /nfs/dbraw/zinc/26/84/32/664268432.db2.gz TXLDUGXXADKWPK-XZUYRWCXSA-N 1 1 321.385 -1.913 20 0 DAADMO Cn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958470388 664268435 /nfs/dbraw/zinc/26/84/35/664268435.db2.gz TXLDUGXXADKWPK-XZUYRWCXSA-N 1 1 321.385 -1.913 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)c1C ZINC000958464816 664268456 /nfs/dbraw/zinc/26/84/56/664268456.db2.gz AFMOHVVLZDVNRQ-UXCLJVHYSA-N 1 1 306.370 -1.082 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476285 664269200 /nfs/dbraw/zinc/26/92/00/664269200.db2.gz HXGNBTLSRUHQQB-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 ZINC000958476285 664269204 /nfs/dbraw/zinc/26/92/04/664269204.db2.gz HXGNBTLSRUHQQB-WCQYABFASA-N 1 1 321.381 -1.138 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477646 664270103 /nfs/dbraw/zinc/27/01/03/664270103.db2.gz ZUSRCAMBEBWZRM-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477646 664270106 /nfs/dbraw/zinc/27/01/06/664270106.db2.gz ZUSRCAMBEBWZRM-ONGXEEELSA-N 1 1 310.358 -2.074 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477120 664270155 /nfs/dbraw/zinc/27/01/55/664270155.db2.gz USUZEPHUEYAVGU-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1cncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958477120 664270156 /nfs/dbraw/zinc/27/01/56/664270156.db2.gz USUZEPHUEYAVGU-GXFFZTMASA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958476651 664270247 /nfs/dbraw/zinc/27/02/47/664270247.db2.gz NEZDYBOFIWALGR-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)n1 ZINC000958476651 664270251 /nfs/dbraw/zinc/27/02/51/664270251.db2.gz NEZDYBOFIWALGR-GWCFXTLKSA-N 1 1 319.369 -1.229 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc(C)n1 ZINC000958485092 664270458 /nfs/dbraw/zinc/27/04/58/664270458.db2.gz GWXCLUREIODFCP-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc(C)n1 ZINC000958485092 664270459 /nfs/dbraw/zinc/27/04/59/664270459.db2.gz GWXCLUREIODFCP-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485497 664270567 /nfs/dbraw/zinc/27/05/67/664270567.db2.gz MYQAWQOYFCWNIJ-IUCAKERBSA-N 1 1 312.326 -3.067 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485497 664270569 /nfs/dbraw/zinc/27/05/69/664270569.db2.gz MYQAWQOYFCWNIJ-IUCAKERBSA-N 1 1 312.326 -3.067 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC000958481763 664270667 /nfs/dbraw/zinc/27/06/67/664270667.db2.gz RWCZJWYZFNYQGK-AAEUAGOBSA-N 1 1 319.369 -1.266 20 0 DAADMO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)n1 ZINC000958481764 664270699 /nfs/dbraw/zinc/27/06/99/664270699.db2.gz RWCZJWYZFNYQGK-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485495 664270880 /nfs/dbraw/zinc/27/08/80/664270880.db2.gz MYQAWQOYFCWNIJ-BDAKNGLRSA-N 1 1 312.326 -3.067 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000958485495 664270882 /nfs/dbraw/zinc/27/08/82/664270882.db2.gz MYQAWQOYFCWNIJ-BDAKNGLRSA-N 1 1 312.326 -3.067 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493630 664271249 /nfs/dbraw/zinc/27/12/49/664271249.db2.gz HWVIQPMMOKBXQP-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1)N1CCC1 ZINC000958493630 664271251 /nfs/dbraw/zinc/27/12/51/664271251.db2.gz HWVIQPMMOKBXQP-YPMHNXCESA-N 1 1 319.365 -1.269 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493303 664271490 /nfs/dbraw/zinc/27/14/90/664271490.db2.gz FWRQWIDGEMSIDN-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493303 664271492 /nfs/dbraw/zinc/27/14/92/664271492.db2.gz FWRQWIDGEMSIDN-ONGXEEELSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493297 664271497 /nfs/dbraw/zinc/27/14/97/664271497.db2.gz FWRQWIDGEMSIDN-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3ncccn3n2)C1 ZINC000958493297 664271498 /nfs/dbraw/zinc/27/14/98/664271498.db2.gz FWRQWIDGEMSIDN-GXSJLCMTSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3ncccn3n2)[C@H](O)C1 ZINC000958493301 664271637 /nfs/dbraw/zinc/27/16/37/664271637.db2.gz FWRQWIDGEMSIDN-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc3ncccn3n2)[C@H](O)C1 ZINC000958493301 664271642 /nfs/dbraw/zinc/27/16/42/664271642.db2.gz FWRQWIDGEMSIDN-MWLCHTKSSA-N 1 1 318.337 -1.763 20 0 DAADMO CCn1nc(C(=O)NC[C@H]2C[N@@H+](CCOC)C[C@@H]2O)ccc1=O ZINC000958492844 664271704 /nfs/dbraw/zinc/27/17/04/664271704.db2.gz BDPHVKINGMZKLW-AAEUAGOBSA-N 1 1 324.381 -1.068 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488696 664271754 /nfs/dbraw/zinc/27/17/54/664271754.db2.gz FTJQUVVHAKGUTQ-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn3ccccc23)C1 ZINC000958488696 664271758 /nfs/dbraw/zinc/27/17/58/664271758.db2.gz FTJQUVVHAKGUTQ-GXFFZTMASA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn3ccccc23)[C@H](O)C1 ZINC000958488698 664271784 /nfs/dbraw/zinc/27/17/84/664271784.db2.gz FTJQUVVHAKGUTQ-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn3ccccc23)[C@H](O)C1 ZINC000958488698 664271786 /nfs/dbraw/zinc/27/17/86/664271786.db2.gz FTJQUVVHAKGUTQ-ZWNOBZJWSA-N 1 1 317.349 -1.158 20 0 DAADMO O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495444 664272190 /nfs/dbraw/zinc/27/21/90/664272190.db2.gz YSOBMGYOUZIJKU-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1)NC1CC1 ZINC000958495444 664272191 /nfs/dbraw/zinc/27/21/91/664272191.db2.gz YSOBMGYOUZIJKU-MFKMUULPSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1)NC1CC1 ZINC000958495445 664272512 /nfs/dbraw/zinc/27/25/12/664272512.db2.gz YSOBMGYOUZIJKU-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO O=C(C[N@H+]1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1)NC1CC1 ZINC000958495445 664272516 /nfs/dbraw/zinc/27/25/16/664272516.db2.gz YSOBMGYOUZIJKU-ZWNOBZJWSA-N 1 1 319.365 -1.222 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958498284 664272805 /nfs/dbraw/zinc/27/28/05/664272805.db2.gz FTWOOSQAOUXBDN-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO Cc1ncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)c(C)n1 ZINC000958498284 664272806 /nfs/dbraw/zinc/27/28/06/664272806.db2.gz FTWOOSQAOUXBDN-JQWIXIFHSA-N 1 1 307.354 -1.399 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC000958502381 664273406 /nfs/dbraw/zinc/27/34/06/664273406.db2.gz APOCNDOLHYCOKD-PWSUYJOCSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502381 664273412 /nfs/dbraw/zinc/27/34/12/664273412.db2.gz APOCNDOLHYCOKD-PWSUYJOCSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC000958502381 664273416 /nfs/dbraw/zinc/27/34/16/664273416.db2.gz APOCNDOLHYCOKD-PWSUYJOCSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502381 664273419 /nfs/dbraw/zinc/27/34/19/664273419.db2.gz APOCNDOLHYCOKD-PWSUYJOCSA-N 1 1 319.369 -1.197 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC000958502381 664273421 /nfs/dbraw/zinc/27/34/21/664273421.db2.gz APOCNDOLHYCOKD-PWSUYJOCSA-N 1 1 319.369 -1.197 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC000958507339 664274562 /nfs/dbraw/zinc/27/45/62/664274562.db2.gz OOVUGYDDZCPIHV-BXKDBHETSA-N 1 1 323.353 -1.287 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1)C1CC1 ZINC000958507339 664274565 /nfs/dbraw/zinc/27/45/65/664274565.db2.gz OOVUGYDDZCPIHV-BXKDBHETSA-N 1 1 323.353 -1.287 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC000958506217 664274793 /nfs/dbraw/zinc/27/47/93/664274793.db2.gz CUAUHUKBFQZYAO-JQWIXIFHSA-N 1 1 323.353 -1.286 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1nc2ncccn2n1 ZINC000958506434 664275008 /nfs/dbraw/zinc/27/50/08/664275008.db2.gz FELCGASFIVJVLX-VHSXEESVSA-N 1 1 306.326 -1.861 20 0 DAADMO CN(C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507342 664275050 /nfs/dbraw/zinc/27/50/50/664275050.db2.gz OOVUGYDDZCPIHV-SKDRFNHKSA-N 1 1 323.353 -1.287 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1)C1CC1 ZINC000958507342 664275054 /nfs/dbraw/zinc/27/50/54/664275054.db2.gz OOVUGYDDZCPIHV-SKDRFNHKSA-N 1 1 323.353 -1.287 20 0 DAADMO O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511384 664275406 /nfs/dbraw/zinc/27/54/06/664275406.db2.gz GFFINZMZWQVTCS-GXSJLCMTSA-N 1 1 309.326 -1.676 20 0 DAADMO O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1)N1CCC1 ZINC000958511384 664275409 /nfs/dbraw/zinc/27/54/09/664275409.db2.gz GFFINZMZWQVTCS-GXSJLCMTSA-N 1 1 309.326 -1.676 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC000958507697 664275940 /nfs/dbraw/zinc/27/59/40/664275940.db2.gz VPHDCDHKNLRYLX-MWLCHTKSSA-N 1 1 307.314 -1.616 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC000958516805 664276568 /nfs/dbraw/zinc/27/65/68/664276568.db2.gz WMLBLHIOEZSPHI-RYUDHWBXSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC000958516802 664276620 /nfs/dbraw/zinc/27/66/20/664276620.db2.gz WMLBLHIOEZSPHI-NEPJUHHUSA-N 1 1 317.353 -1.209 20 0 DAADMO O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cccnn1 ZINC000958516417 664276636 /nfs/dbraw/zinc/27/66/36/664276636.db2.gz RJYFJMFLBSXIGI-DGCLKSJQSA-N 1 1 317.353 -1.209 20 0 DAADMO Cn1ncc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@H]3O)cnc21 ZINC000958525406 664277171 /nfs/dbraw/zinc/27/71/71/664277171.db2.gz HVNSDCQLDBEULL-CHWSQXEVSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H](O)C1 ZINC000958558075 664277216 /nfs/dbraw/zinc/27/72/16/664277216.db2.gz DJMAIMGLLGOCFU-MWLCHTKSSA-N 1 1 307.354 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]nc2C2CC2)[C@H](O)C1 ZINC000958558075 664277221 /nfs/dbraw/zinc/27/72/21/664277221.db2.gz DJMAIMGLLGOCFU-MWLCHTKSSA-N 1 1 307.354 -1.205 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958547650 664277263 /nfs/dbraw/zinc/27/72/63/664277263.db2.gz KRWUTZYYCDLUHX-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]2O)nn1 ZINC000958547650 664277268 /nfs/dbraw/zinc/27/72/68/664277268.db2.gz KRWUTZYYCDLUHX-JQWIXIFHSA-N 1 1 324.385 -1.591 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnn(C(F)F)c2)[C@H](O)C1 ZINC000958524729 664277424 /nfs/dbraw/zinc/27/74/24/664277424.db2.gz BLAFBXGAPRSIBF-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(C(F)F)c2)[C@H](O)C1 ZINC000958524729 664277427 /nfs/dbraw/zinc/27/74/27/664277427.db2.gz BLAFBXGAPRSIBF-VXNVDRBHSA-N 1 1 317.296 -1.214 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958547803 664277434 /nfs/dbraw/zinc/27/74/34/664277434.db2.gz LRHMRXGUACRVMV-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)nn1 ZINC000958547803 664277438 /nfs/dbraw/zinc/27/74/38/664277438.db2.gz LRHMRXGUACRVMV-ONGXEEELSA-N 1 1 310.358 -1.934 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524665 664277567 /nfs/dbraw/zinc/27/75/67/664277567.db2.gz BLAFBXGAPRSIBF-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(C(F)F)c2)C1 ZINC000958524665 664277569 /nfs/dbraw/zinc/27/75/69/664277569.db2.gz BLAFBXGAPRSIBF-APPZFPTMSA-N 1 1 317.296 -1.214 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC000958523980 664277602 /nfs/dbraw/zinc/27/76/02/664277602.db2.gz YDYOGGFYSXBGKC-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC000958523980 664277604 /nfs/dbraw/zinc/27/76/04/664277604.db2.gz YDYOGGFYSXBGKC-WUWHUORYSA-N 1 1 318.381 -1.112 20 0 DAADMO Cn1ncc2cc(C(=O)NC[C@@H]3C[N@@H+](CCO)C[C@@H]3O)cnc21 ZINC000958525407 664277765 /nfs/dbraw/zinc/27/77/65/664277765.db2.gz HVNSDCQLDBEULL-OLZOCXBDSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525072 664277835 /nfs/dbraw/zinc/27/78/35/664277835.db2.gz FJAQORJJSAUQMM-CMPLNLGQSA-N 1 1 322.369 -1.804 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn(CC3CC3)nn2)C1 ZINC000958525072 664277839 /nfs/dbraw/zinc/27/78/39/664277839.db2.gz FJAQORJJSAUQMM-CMPLNLGQSA-N 1 1 322.369 -1.804 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958547799 664277904 /nfs/dbraw/zinc/27/79/04/664277904.db2.gz LRHMRXGUACRVMV-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1 ZINC000958547799 664277909 /nfs/dbraw/zinc/27/79/09/664277909.db2.gz LRHMRXGUACRVMV-GXSJLCMTSA-N 1 1 310.358 -1.934 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550464 664278030 /nfs/dbraw/zinc/27/80/30/664278030.db2.gz ADCKUXWIGSEYDZ-JQWIXIFHSA-N 1 1 324.385 -1.373 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(C(C)C)nn2)C1 ZINC000958550464 664278033 /nfs/dbraw/zinc/27/80/33/664278033.db2.gz ADCKUXWIGSEYDZ-JQWIXIFHSA-N 1 1 324.385 -1.373 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566511 664278630 /nfs/dbraw/zinc/27/86/30/664278630.db2.gz GCGYGMKIVPZYLL-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(OC)nn2)C1 ZINC000958566511 664278632 /nfs/dbraw/zinc/27/86/32/664278632.db2.gz GCGYGMKIVPZYLL-ONGXEEELSA-N 1 1 323.353 -1.746 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)c1 ZINC000958569278 664278784 /nfs/dbraw/zinc/27/87/84/664278784.db2.gz OKSFMXMWQWGNNA-PFWNZEGQSA-N 1 1 317.349 -1.115 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)c(Cl)n1 ZINC000958579916 664278950 /nfs/dbraw/zinc/27/89/50/664278950.db2.gz BJBYMUXKXLOESP-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)c(Cl)n1 ZINC000958579916 664278953 /nfs/dbraw/zinc/27/89/53/664278953.db2.gz BJBYMUXKXLOESP-IONNQARKSA-N 1 1 315.761 -1.419 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000958581715 664278984 /nfs/dbraw/zinc/27/89/84/664278984.db2.gz RRRMXPSWLXQFCF-JGVFFNPUSA-N 1 1 312.326 -1.061 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958584048 664279480 /nfs/dbraw/zinc/27/94/80/664279480.db2.gz NYJKPZMMMWTXLI-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO CC(C)n1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958584048 664279482 /nfs/dbraw/zinc/27/94/82/664279482.db2.gz NYJKPZMMMWTXLI-JQWIXIFHSA-N 1 1 309.370 -1.028 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958583128 664279512 /nfs/dbraw/zinc/27/95/12/664279512.db2.gz DSNQNIPPAITWQK-KCJUWKMLSA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958583128 664279515 /nfs/dbraw/zinc/27/95/15/664279515.db2.gz DSNQNIPPAITWQK-KCJUWKMLSA-N 1 1 312.326 -1.671 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000958587386 664279694 /nfs/dbraw/zinc/27/96/94/664279694.db2.gz IMWJVQAEZDRNHN-GXSJLCMTSA-N 1 1 320.353 -1.150 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cccn2c(=O)[nH]nc12 ZINC000958587216 664279730 /nfs/dbraw/zinc/27/97/30/664279730.db2.gz HDRIEOJQVRDDRB-ONGXEEELSA-N 1 1 321.337 -1.550 20 0 DAADMO CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC000958587388 664279752 /nfs/dbraw/zinc/27/97/52/664279752.db2.gz IMWJVQAEZDRNHN-MWLCHTKSSA-N 1 1 320.353 -1.150 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958583130 664279837 /nfs/dbraw/zinc/27/98/37/664279837.db2.gz DSNQNIPPAITWQK-LDYMZIIASA-N 1 1 312.326 -1.671 20 0 DAADMO COCc1nocc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958583130 664279840 /nfs/dbraw/zinc/27/98/40/664279840.db2.gz DSNQNIPPAITWQK-LDYMZIIASA-N 1 1 312.326 -1.671 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600316 664280387 /nfs/dbraw/zinc/28/03/87/664280387.db2.gz YYCYBQLGKAAVLM-PWSUYJOCSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC000958600316 664280391 /nfs/dbraw/zinc/28/03/91/664280391.db2.gz YYCYBQLGKAAVLM-PWSUYJOCSA-N 1 1 322.365 -1.846 20 0 DAADMO CNC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958600085 664280600 /nfs/dbraw/zinc/28/06/00/664280600.db2.gz WRUUQPCAZDHKHR-YPMHNXCESA-N 1 1 322.365 -1.544 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619667 664281862 /nfs/dbraw/zinc/28/18/62/664281862.db2.gz WYTCJFLAOFGYFQ-ONGXEEELSA-N 1 1 320.353 -1.569 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC000958619667 664281866 /nfs/dbraw/zinc/28/18/66/664281866.db2.gz WYTCJFLAOFGYFQ-ONGXEEELSA-N 1 1 320.353 -1.569 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CN=NC2=O)n1 ZINC000958621205 664282001 /nfs/dbraw/zinc/28/20/01/664282001.db2.gz FZIBUSOGVCOOFO-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CN=NC2=O)n1 ZINC000958621205 664282004 /nfs/dbraw/zinc/28/20/04/664282004.db2.gz FZIBUSOGVCOOFO-PJXYFTJBSA-N 1 1 317.353 -1.036 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000958622074 664282138 /nfs/dbraw/zinc/28/21/38/664282138.db2.gz PCTZGRKVOQOMCC-QCBRBAQYSA-N 1 1 306.326 -2.081 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623627 664282232 /nfs/dbraw/zinc/28/22/32/664282232.db2.gz XEGAFULEXBFXHY-WDEREUQCSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623627 664282234 /nfs/dbraw/zinc/28/22/34/664282234.db2.gz XEGAFULEXBFXHY-WDEREUQCSA-N 1 1 322.365 -1.141 20 0 DAADMO CNC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958630396 664282608 /nfs/dbraw/zinc/28/26/08/664282608.db2.gz HUUJAAVJYGOKAT-GXFFZTMASA-N 1 1 322.365 -1.544 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1O ZINC000958629357 664282684 /nfs/dbraw/zinc/28/26/84/664282684.db2.gz BCZNGTIUJSKMSX-IUCAKERBSA-N 1 1 313.333 -1.625 20 0 DAADMO Cc1nn(C)c(F)c1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1O ZINC000958629357 664282687 /nfs/dbraw/zinc/28/26/87/664282687.db2.gz BCZNGTIUJSKMSX-IUCAKERBSA-N 1 1 313.333 -1.625 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)C[C@H]1O ZINC000958625864 664282692 /nfs/dbraw/zinc/28/26/92/664282692.db2.gz MKZRJCJWTQBTIC-GXSJLCMTSA-N 1 1 309.370 -1.259 20 0 DAADMO CCc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)C[C@H]1O ZINC000958625864 664282693 /nfs/dbraw/zinc/28/26/93/664282693.db2.gz MKZRJCJWTQBTIC-GXSJLCMTSA-N 1 1 309.370 -1.259 20 0 DAADMO Cn1nnc2ccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)cc21 ZINC000958625529 664282764 /nfs/dbraw/zinc/28/27/64/664282764.db2.gz KLOGVLYAHANUQS-FZMZJTMJSA-N 1 1 319.365 -1.017 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958635119 664283070 /nfs/dbraw/zinc/28/30/70/664283070.db2.gz FBBTWSGTQGPQLM-CMPLNLGQSA-N 1 1 322.365 -1.012 20 0 DAADMO CCOc1ncccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958635119 664283076 /nfs/dbraw/zinc/28/30/76/664283076.db2.gz FBBTWSGTQGPQLM-CMPLNLGQSA-N 1 1 322.365 -1.012 20 0 DAADMO COCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958634946 664283193 /nfs/dbraw/zinc/28/31/93/664283193.db2.gz DHCQEFKATUJJMR-AAEUAGOBSA-N 1 1 312.370 -1.456 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635634 664283208 /nfs/dbraw/zinc/28/32/08/664283208.db2.gz NLQRBOHWIYVZKD-PWSUYJOCSA-N 1 1 319.365 -1.138 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cncnc2C2CC2)C1 ZINC000958635634 664283211 /nfs/dbraw/zinc/28/32/11/664283211.db2.gz NLQRBOHWIYVZKD-PWSUYJOCSA-N 1 1 319.365 -1.138 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC000958639114 664283439 /nfs/dbraw/zinc/28/34/39/664283439.db2.gz YKBGHJFPUDEPNS-CPOMMVLXSA-N 1 1 306.370 -1.203 20 0 DAADMO COCC[N@@H+]1C[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC000958653649 664283997 /nfs/dbraw/zinc/28/39/97/664283997.db2.gz NEDIUKQDVKJNRA-NXEZZACHSA-N 1 1 323.353 -1.756 20 0 DAADMO Cn1nc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC000958649881 664284098 /nfs/dbraw/zinc/28/40/98/664284098.db2.gz RPUJMMYKGPAXOC-PWSUYJOCSA-N 1 1 310.354 -1.815 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000958649151 664284259 /nfs/dbraw/zinc/28/42/59/664284259.db2.gz HRLIOUYLEDPIFI-CMPLNLGQSA-N 1 1 310.354 -1.551 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958653808 664284355 /nfs/dbraw/zinc/28/43/55/664284355.db2.gz OEEXHDIRYCSGMA-ZJUUUORDSA-N 1 1 323.353 -2.020 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@H+](CCF)C[C@H]1O ZINC000958653953 664284368 /nfs/dbraw/zinc/28/43/68/664284368.db2.gz PIANLXXQOLWDIP-DTWKUNHWSA-N 1 1 311.317 -1.433 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@H]1C[N@@H+](CCF)C[C@H]1O ZINC000958653953 664284373 /nfs/dbraw/zinc/28/43/73/664284373.db2.gz PIANLXXQOLWDIP-DTWKUNHWSA-N 1 1 311.317 -1.433 20 0 DAADMO CC(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958657531 664284811 /nfs/dbraw/zinc/28/48/11/664284811.db2.gz KBPHYBQWPKFZCP-ZIAGYGMSSA-N 1 1 313.398 -1.354 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666335 664284824 /nfs/dbraw/zinc/28/48/24/664284824.db2.gz IXQJWAGXUNYWCE-WCBMZHEXSA-N 1 1 314.317 -1.522 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666335 664284826 /nfs/dbraw/zinc/28/48/26/664284826.db2.gz IXQJWAGXUNYWCE-WCBMZHEXSA-N 1 1 314.317 -1.522 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC000958657573 664284888 /nfs/dbraw/zinc/28/48/88/664284888.db2.gz KXEVZURREGGGTP-OLZOCXBDSA-N 1 1 307.350 -1.200 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958654621 664284921 /nfs/dbraw/zinc/28/49/21/664284921.db2.gz UYQDTHVUVLZCMX-BDAKNGLRSA-N 1 1 309.326 -2.410 20 0 DAADMO CCCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC000958661562 664285069 /nfs/dbraw/zinc/28/50/69/664285069.db2.gz LVRAZFYYKKOVOI-YPMHNXCESA-N 1 1 324.381 -1.332 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662449 664285078 /nfs/dbraw/zinc/28/50/78/664285078.db2.gz TWNVAEWTDJNCTH-NWDGAFQWSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000958662449 664285080 /nfs/dbraw/zinc/28/50/80/664285080.db2.gz TWNVAEWTDJNCTH-NWDGAFQWSA-N 1 1 320.349 -1.707 20 0 DAADMO CCCn1nc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC000958661560 664285130 /nfs/dbraw/zinc/28/51/30/664285130.db2.gz LVRAZFYYKKOVOI-DGCLKSJQSA-N 1 1 324.381 -1.332 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC000958653956 664285218 /nfs/dbraw/zinc/28/52/18/664285218.db2.gz PIANLXXQOLWDIP-RKDXNWHRSA-N 1 1 311.317 -1.433 20 0 DAADMO NC(=O)c1nccnc1C(=O)NC[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC000958653956 664285223 /nfs/dbraw/zinc/28/52/23/664285223.db2.gz PIANLXXQOLWDIP-RKDXNWHRSA-N 1 1 311.317 -1.433 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 ZINC000958662451 664285345 /nfs/dbraw/zinc/28/53/45/664285345.db2.gz TWNVAEWTDJNCTH-VXGBXAGGSA-N 1 1 320.349 -1.707 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 ZINC000958662451 664285347 /nfs/dbraw/zinc/28/53/47/664285347.db2.gz TWNVAEWTDJNCTH-VXGBXAGGSA-N 1 1 320.349 -1.707 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c(=O)[nH]c1=O ZINC000958666619 664285709 /nfs/dbraw/zinc/28/57/09/664285709.db2.gz NEPVRTLSRYHNNZ-WCBMZHEXSA-N 1 1 312.326 -2.499 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC000958669964 664285871 /nfs/dbraw/zinc/28/58/71/664285871.db2.gz AXGWNHNCHFSLFP-WDNDVIMCSA-N 1 1 318.381 -1.160 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC000958669964 664285876 /nfs/dbraw/zinc/28/58/76/664285876.db2.gz AXGWNHNCHFSLFP-WDNDVIMCSA-N 1 1 318.381 -1.160 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666618 664286082 /nfs/dbraw/zinc/28/60/82/664286082.db2.gz NEPVRTLSRYHNNZ-SCZZXKLOSA-N 1 1 312.326 -2.499 20 0 DAADMO Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000958666798 664286275 /nfs/dbraw/zinc/28/62/75/664286275.db2.gz PFMSOPMHUAFETO-JQWIXIFHSA-N 1 1 322.365 -1.082 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC000958672994 664286355 /nfs/dbraw/zinc/28/63/55/664286355.db2.gz WDXWUAHCYHQWQS-RFQIPJPRSA-N 1 1 320.393 -1.210 20 0 DAADMO Cn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC000958677745 664286691 /nfs/dbraw/zinc/28/66/91/664286691.db2.gz UNIWJODQWVDRTQ-DGCLKSJQSA-N 1 1 319.369 -1.266 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958675767 664286777 /nfs/dbraw/zinc/28/67/77/664286777.db2.gz PRRLDLVGBFKPRI-KIKITERTSA-N 1 1 308.338 -1.098 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958692531 664286917 /nfs/dbraw/zinc/28/69/17/664286917.db2.gz BITCHNBFTYLSIS-NEPJUHHUSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958693427 664286924 /nfs/dbraw/zinc/28/69/24/664286924.db2.gz FCHGUNJOVUMDJM-QWHCGFSZSA-N 1 1 322.365 -1.415 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693462 664286940 /nfs/dbraw/zinc/28/69/40/664286940.db2.gz FRIXVCOWKWKIES-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccnc(C)n2)C1 ZINC000958693462 664286943 /nfs/dbraw/zinc/28/69/43/664286943.db2.gz FRIXVCOWKWKIES-JQWIXIFHSA-N 1 1 307.354 -1.446 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(=O)n(C)o2)C1=O ZINC000958675056 664287015 /nfs/dbraw/zinc/28/70/15/664287015.db2.gz CXZSQKSSJBMBJI-MPXOCVNLSA-N 1 1 320.349 -1.131 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673661 664287067 /nfs/dbraw/zinc/28/70/67/664287067.db2.gz UXJLPETYAZGDHT-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958673661 664287070 /nfs/dbraw/zinc/28/70/70/664287070.db2.gz UXJLPETYAZGDHT-PWSUYJOCSA-N 1 1 309.370 -1.469 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958675052 664287096 /nfs/dbraw/zinc/28/70/96/664287096.db2.gz CWAIEUGNOZAXSX-XBWDGYHZSA-N 1 1 308.338 -1.227 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)cc1=O ZINC000958675025 664287116 /nfs/dbraw/zinc/28/71/16/664287116.db2.gz CLVJCLIJSAAMJA-MPXOCVNLSA-N 1 1 320.349 -1.083 20 0 DAADMO NC(=O)c1ncccc1C(=O)NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC000958715321 664287439 /nfs/dbraw/zinc/28/74/39/664287439.db2.gz IKQNLECLNBIZTM-JQWIXIFHSA-N 1 1 322.365 -1.415 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)cc1=O ZINC000958696123 664287865 /nfs/dbraw/zinc/28/78/65/664287865.db2.gz HYSGYWSXWKUXII-MSRIBSCDSA-N 1 1 320.349 -1.083 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)cc1=O ZINC000958696123 664287869 /nfs/dbraw/zinc/28/78/69/664287869.db2.gz HYSGYWSXWKUXII-MSRIBSCDSA-N 1 1 320.349 -1.083 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958697763 664288095 /nfs/dbraw/zinc/28/80/95/664288095.db2.gz NVJGWDFXMSHDSN-IWIIMEHWSA-N 1 1 318.337 -1.033 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)o1 ZINC000958697763 664288096 /nfs/dbraw/zinc/28/80/96/664288096.db2.gz NVJGWDFXMSHDSN-IWIIMEHWSA-N 1 1 318.337 -1.033 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1O ZINC000958718522 664288472 /nfs/dbraw/zinc/28/84/72/664288472.db2.gz VSEHQEYMJLIPGX-GHMZBOCLSA-N 1 1 322.365 -1.088 20 0 DAADMO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1O ZINC000958718522 664288476 /nfs/dbraw/zinc/28/84/76/664288476.db2.gz VSEHQEYMJLIPGX-GHMZBOCLSA-N 1 1 322.365 -1.088 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717084 664288651 /nfs/dbraw/zinc/28/86/51/664288651.db2.gz OXGZKRIOEKQQGP-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC000958717084 664288653 /nfs/dbraw/zinc/28/86/53/664288653.db2.gz OXGZKRIOEKQQGP-PWSUYJOCSA-N 1 1 321.381 -1.273 20 0 DAADMO CCC[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC000958727009 664288806 /nfs/dbraw/zinc/28/88/06/664288806.db2.gz BVNSYEYKGPPVJO-MWLCHTKSSA-N 1 1 310.358 -1.804 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000958727010 664288843 /nfs/dbraw/zinc/28/88/43/664288843.db2.gz BVNSYEYKGPPVJO-ONGXEEELSA-N 1 1 310.358 -1.804 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncc3n2CCCC3)[C@H](O)C1 ZINC000958717085 664288874 /nfs/dbraw/zinc/28/88/74/664288874.db2.gz OXGZKRIOEKQQGP-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ncc3n2CCCC3)[C@H](O)C1 ZINC000958717085 664288875 /nfs/dbraw/zinc/28/88/75/664288875.db2.gz OXGZKRIOEKQQGP-ZYHUDNBSSA-N 1 1 321.381 -1.273 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]2O)nn1 ZINC000958728895 664289288 /nfs/dbraw/zinc/28/92/88/664289288.db2.gz RIQYGZOAWJIHTO-CMPLNLGQSA-N 1 1 322.369 -1.804 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958735010 664289563 /nfs/dbraw/zinc/28/95/63/664289563.db2.gz QSQPITCMSKJLQY-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958736600 664289661 /nfs/dbraw/zinc/28/96/61/664289661.db2.gz QUNSNDGJBYHBSW-GXFFZTMASA-N 1 1 322.365 -1.415 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958736205 664289737 /nfs/dbraw/zinc/28/97/37/664289737.db2.gz KPIDKRPTGKFOTH-MFKMUULPSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)nc1 ZINC000958736205 664289740 /nfs/dbraw/zinc/28/97/40/664289740.db2.gz KPIDKRPTGKFOTH-MFKMUULPSA-N 1 1 321.381 -1.345 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000958735011 664289806 /nfs/dbraw/zinc/28/98/06/664289806.db2.gz QSQPITCMSKJLQY-VWYCJHECSA-N 1 1 312.370 -2.014 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958737767 664290445 /nfs/dbraw/zinc/29/04/45/664290445.db2.gz KYHZFBNKKAOFNY-ZRUFSTJUSA-N 1 1 323.353 -1.834 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744304 664290919 /nfs/dbraw/zinc/29/09/19/664290919.db2.gz KLSPSLQYCZPQJZ-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744304 664290920 /nfs/dbraw/zinc/29/09/20/664290920.db2.gz KLSPSLQYCZPQJZ-KOLCDFICSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744303 664290955 /nfs/dbraw/zinc/29/09/55/664290955.db2.gz KLSPSLQYCZPQJZ-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000958744303 664290957 /nfs/dbraw/zinc/29/09/57/664290957.db2.gz KLSPSLQYCZPQJZ-GXSJLCMTSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)nc1 ZINC000958744000 664290969 /nfs/dbraw/zinc/29/09/69/664290969.db2.gz DNAKGLDKXKNVCU-JQWIXIFHSA-N 1 1 308.338 -1.805 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)nc1 ZINC000958745049 664291081 /nfs/dbraw/zinc/29/10/81/664291081.db2.gz ZJPAKBTVCQBLHU-WCQYABFASA-N 1 1 322.365 -1.415 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958748099 664291474 /nfs/dbraw/zinc/29/14/74/664291474.db2.gz HPYKIXDCTXUECG-NXEZZACHSA-N 1 1 311.342 -1.511 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000958748099 664291476 /nfs/dbraw/zinc/29/14/76/664291476.db2.gz HPYKIXDCTXUECG-NXEZZACHSA-N 1 1 311.342 -1.511 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958753362 664291564 /nfs/dbraw/zinc/29/15/64/664291564.db2.gz YRUFNRFNPMGGOC-SRVKXCTJSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000958753362 664291568 /nfs/dbraw/zinc/29/15/68/664291568.db2.gz YRUFNRFNPMGGOC-SRVKXCTJSA-N 1 1 322.369 -1.457 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749823 664291681 /nfs/dbraw/zinc/29/16/81/664291681.db2.gz ZBMPYBRWCPXUSW-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000958749823 664291683 /nfs/dbraw/zinc/29/16/83/664291683.db2.gz ZBMPYBRWCPXUSW-ONGXEEELSA-N 1 1 321.337 -2.312 20 0 DAADMO Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC000958757990 664291997 /nfs/dbraw/zinc/29/19/97/664291997.db2.gz ALDGBLLUZMOVBQ-MNOVXSKESA-N 1 1 321.341 -1.308 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958761975 664292011 /nfs/dbraw/zinc/29/20/11/664292011.db2.gz CMSRZICQYPCZHG-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1nc[nH]c1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC000958761975 664292013 /nfs/dbraw/zinc/29/20/13/664292013.db2.gz CMSRZICQYPCZHG-NWDGAFQWSA-N 1 1 321.381 -1.027 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958757297 664292020 /nfs/dbraw/zinc/29/20/20/664292020.db2.gz XGGPMSBWKRJFCI-KIKITERTSA-N 1 1 318.337 -1.720 20 0 DAADMO CCOc1cnc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958762178 664292126 /nfs/dbraw/zinc/29/21/26/664292126.db2.gz FSVXYEANAMCTCT-PWSUYJOCSA-N 1 1 310.354 -1.110 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958757987 664292136 /nfs/dbraw/zinc/29/21/36/664292136.db2.gz AKXIVZNUNNUSDP-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nn1C ZINC000958757987 664292138 /nfs/dbraw/zinc/29/21/38/664292138.db2.gz AKXIVZNUNNUSDP-JOYOIKCWSA-N 1 1 309.370 -1.510 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)nn1C ZINC000958758628 664292166 /nfs/dbraw/zinc/29/21/66/664292166.db2.gz LCPZAQXYKUSTDL-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)nn1C ZINC000958758628 664292168 /nfs/dbraw/zinc/29/21/68/664292168.db2.gz LCPZAQXYKUSTDL-GXFFZTMASA-N 1 1 323.397 -1.249 20 0 DAADMO CCOc1cnc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958762177 664292276 /nfs/dbraw/zinc/29/22/76/664292276.db2.gz FSVXYEANAMCTCT-JQWIXIFHSA-N 1 1 310.354 -1.110 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000958757298 664292316 /nfs/dbraw/zinc/29/23/16/664292316.db2.gz XGGPMSBWKRJFCI-SREGZZRCSA-N 1 1 318.337 -1.720 20 0 DAADMO Cn1nnc2cccc(C(=O)NC[C@H]3C[N@@H+](CCO)C[C@@H]3O)c21 ZINC000958770302 664292704 /nfs/dbraw/zinc/29/27/04/664292704.db2.gz NXPKFOCXOHQACN-GWCFXTLKSA-N 1 1 319.365 -1.017 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC000958773370 664292925 /nfs/dbraw/zinc/29/29/25/664292925.db2.gz JZTSQWDQLHIGKE-WCQYABFASA-N 1 1 322.365 -1.415 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)nn1 ZINC000958774412 664292946 /nfs/dbraw/zinc/29/29/46/664292946.db2.gz LFZPUDUGBZTMCV-DMWPJOQESA-N 1 1 304.354 -1.294 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958785039 664293243 /nfs/dbraw/zinc/29/32/43/664293243.db2.gz IGKCGJTZHYOGMY-GUBZILKMSA-N 1 1 314.342 -3.168 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958785039 664293245 /nfs/dbraw/zinc/29/32/45/664293245.db2.gz IGKCGJTZHYOGMY-GUBZILKMSA-N 1 1 314.342 -3.168 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000958783602 664293389 /nfs/dbraw/zinc/29/33/89/664293389.db2.gz ZVMLNNRLFIGENY-DMWPJOQESA-N 1 1 304.354 -1.154 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000958784724 664293461 /nfs/dbraw/zinc/29/34/61/664293461.db2.gz AEZRQWODGFWKPP-LPEHRKFASA-N 1 1 321.324 -1.388 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)C(F)F)C[C@@H]1O ZINC000958784724 664293463 /nfs/dbraw/zinc/29/34/63/664293463.db2.gz AEZRQWODGFWKPP-LPEHRKFASA-N 1 1 321.324 -1.388 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)n1 ZINC000958786321 664293492 /nfs/dbraw/zinc/29/34/92/664293492.db2.gz FWCYVAJTMVEHCV-URLYPYJESA-N 1 1 319.369 -1.500 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000958783601 664293500 /nfs/dbraw/zinc/29/35/00/664293500.db2.gz ZVMLNNRLFIGENY-BSJXLVFVSA-N 1 1 304.354 -1.154 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 ZINC000958789782 664293724 /nfs/dbraw/zinc/29/37/24/664293724.db2.gz AHEIQNKZUFGFTK-UKKRHICBSA-N 1 1 306.370 -1.048 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)[nH]1 ZINC000958816400 664293919 /nfs/dbraw/zinc/29/39/19/664293919.db2.gz MXJJUWHJMMHLRO-HBYGRHMLSA-N 1 1 318.381 -1.066 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)c2cnon2)C[C@@H]1O ZINC000958850053 664295947 /nfs/dbraw/zinc/29/59/47/664295947.db2.gz MONBFCZVVBJKBZ-USWWRNFRSA-N 1 1 323.353 -1.335 20 0 DAADMO CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958884369 664298403 /nfs/dbraw/zinc/29/84/03/664298403.db2.gz AXJSEENRDJAHRQ-DCAQKATOSA-N 1 1 312.370 -2.014 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000958893236 664299575 /nfs/dbraw/zinc/29/95/75/664299575.db2.gz BETRDOKXVSUVGR-UWVGGRQHSA-N 1 1 309.326 -2.293 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958919903 664300583 /nfs/dbraw/zinc/30/05/83/664300583.db2.gz NQNGGCONNJISCH-VWYCJHECSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000958919903 664300588 /nfs/dbraw/zinc/30/05/88/664300588.db2.gz NQNGGCONNJISCH-VWYCJHECSA-N 1 1 322.369 -1.457 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000958945807 664305000 /nfs/dbraw/zinc/30/50/00/664305000.db2.gz SAEKHKQKWWGDFZ-GUBZILKMSA-N 1 1 314.342 -3.168 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000958945807 664305003 /nfs/dbraw/zinc/30/50/03/664305003.db2.gz SAEKHKQKWWGDFZ-GUBZILKMSA-N 1 1 314.342 -3.168 20 0 DAADMO COCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC000959786213 664311099 /nfs/dbraw/zinc/31/10/99/664311099.db2.gz DRFMHFMZMPCKEQ-FRRDWIJNSA-N 1 1 311.382 -1.120 20 0 DAADMO COCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC000959786213 664311102 /nfs/dbraw/zinc/31/11/02/664311102.db2.gz DRFMHFMZMPCKEQ-FRRDWIJNSA-N 1 1 311.382 -1.120 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)[nH]1 ZINC000959843793 664311634 /nfs/dbraw/zinc/31/16/34/664311634.db2.gz DLNVHRXHQGMUTD-DEKYYXRVSA-N 1 1 318.381 -1.067 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n[nH]1 ZINC000959843793 664311638 /nfs/dbraw/zinc/31/16/38/664311638.db2.gz DLNVHRXHQGMUTD-DEKYYXRVSA-N 1 1 318.381 -1.067 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)n[nH]1 ZINC000959843793 664311642 /nfs/dbraw/zinc/31/16/42/664311642.db2.gz DLNVHRXHQGMUTD-DEKYYXRVSA-N 1 1 318.381 -1.067 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000959867172 664312170 /nfs/dbraw/zinc/31/21/70/664312170.db2.gz QNFBLQLLIMCWBB-CZXHOFHRSA-N 1 1 303.366 -1.103 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1C ZINC000959848432 664312183 /nfs/dbraw/zinc/31/21/83/664312183.db2.gz DBGVCLDJRTYUES-IMRBUKKESA-N 1 1 321.381 -1.017 20 0 DAADMO COCCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1C ZINC000959848432 664312187 /nfs/dbraw/zinc/31/21/87/664312187.db2.gz DBGVCLDJRTYUES-IMRBUKKESA-N 1 1 321.381 -1.017 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC000959865786 664312223 /nfs/dbraw/zinc/31/22/23/664312223.db2.gz OIWRKRJIDCJRRT-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959902031 664313028 /nfs/dbraw/zinc/31/30/28/664313028.db2.gz PFKFKNYTCWYHGG-SVDPJWKOSA-N 1 1 307.358 -1.804 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)nn1C ZINC000959902758 664313198 /nfs/dbraw/zinc/31/31/98/664313198.db2.gz RQDSUXVQHFDJJJ-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ncnn2)nn1C ZINC000959902758 664313201 /nfs/dbraw/zinc/31/32/01/664313201.db2.gz RQDSUXVQHFDJJJ-IMRBUKKESA-N 1 1 316.369 -1.038 20 0 DAADMO CCn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959915155 664313665 /nfs/dbraw/zinc/31/36/65/664313665.db2.gz RNZOPUDAUMWTCI-PJXYFTJBSA-N 1 1 317.357 -1.469 20 0 DAADMO CCn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC000959915155 664313670 /nfs/dbraw/zinc/31/36/70/664313670.db2.gz RNZOPUDAUMWTCI-PJXYFTJBSA-N 1 1 317.357 -1.469 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000959976698 664313979 /nfs/dbraw/zinc/31/39/79/664313979.db2.gz WKRRNHQEYUKXJP-AXTSPUMRSA-N 1 1 321.385 -1.038 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C(C)(C)C)n1 ZINC000959976698 664313981 /nfs/dbraw/zinc/31/39/81/664313981.db2.gz WKRRNHQEYUKXJP-AXTSPUMRSA-N 1 1 321.385 -1.038 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960063242 664314568 /nfs/dbraw/zinc/31/45/68/664314568.db2.gz AEGPTLAIWZMRSD-ITGUQSILSA-N 1 1 324.406 -1.026 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)C1CS(=O)(=O)C1 ZINC000960063242 664314570 /nfs/dbraw/zinc/31/45/70/664314570.db2.gz AEGPTLAIWZMRSD-ITGUQSILSA-N 1 1 324.406 -1.026 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2ncnn2)n1 ZINC000960008448 664314598 /nfs/dbraw/zinc/31/45/98/664314598.db2.gz UJVBVPFQFOHQSE-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1nccn1 ZINC000960020976 664314784 /nfs/dbraw/zinc/31/47/84/664314784.db2.gz IQTDKBCZIJLASS-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000960104470 664315194 /nfs/dbraw/zinc/31/51/94/664315194.db2.gz IFRBBTNCJIGZLW-YABSGUDNSA-N 1 1 304.354 -1.443 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960077742 664315216 /nfs/dbraw/zinc/31/52/16/664315216.db2.gz HVKJZSHLFAYATE-JZYVYDRUSA-N 1 1 301.310 -1.730 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn2nnnc12 ZINC000960077742 664315220 /nfs/dbraw/zinc/31/52/20/664315220.db2.gz HVKJZSHLFAYATE-JZYVYDRUSA-N 1 1 301.310 -1.730 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC000960115116 664315595 /nfs/dbraw/zinc/31/55/95/664315595.db2.gz NOPKLXRGZBLRGO-UWVGGRQHSA-N 1 1 322.373 -1.638 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC000960155375 664316233 /nfs/dbraw/zinc/31/62/33/664316233.db2.gz KJMMZBRDGCQHSU-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1=O ZINC000960166119 664316510 /nfs/dbraw/zinc/31/65/10/664316510.db2.gz LEAIQJIHVVQBOW-APAOZMKASA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1=O ZINC000960166119 664316514 /nfs/dbraw/zinc/31/65/14/664316514.db2.gz LEAIQJIHVVQBOW-APAOZMKASA-N 1 1 320.393 -1.210 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1=O ZINC000960167654 664316623 /nfs/dbraw/zinc/31/66/23/664316623.db2.gz PQHAGJCVUOKCCH-UUIJZJDISA-N 1 1 320.393 -1.257 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC000960171594 664317033 /nfs/dbraw/zinc/31/70/33/664317033.db2.gz ZKIQFJZTPDHAFS-NMSKTSORSA-N 1 1 308.338 -1.944 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1C(=O)CCC1=O ZINC000960171594 664317036 /nfs/dbraw/zinc/31/70/36/664317036.db2.gz ZKIQFJZTPDHAFS-NMSKTSORSA-N 1 1 308.338 -1.944 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000960168749 664317082 /nfs/dbraw/zinc/31/70/82/664317082.db2.gz UJLLEMNHKJSCDW-PUHVVEEASA-N 1 1 308.382 -1.401 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960186730 664317221 /nfs/dbraw/zinc/31/72/21/664317221.db2.gz FZVFBWIPCCCBPG-IAZYJMLFSA-N 1 1 305.338 -1.061 20 0 DAADMO COc1nc(C)ncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960186730 664317225 /nfs/dbraw/zinc/31/72/25/664317225.db2.gz FZVFBWIPCCCBPG-IAZYJMLFSA-N 1 1 305.338 -1.061 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCCF)C[C@H]32)c1=O ZINC000960178742 664317243 /nfs/dbraw/zinc/31/72/43/664317243.db2.gz YYZKBDSDPYZVSW-YABSGUDNSA-N 1 1 324.356 -1.047 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960201442 664317472 /nfs/dbraw/zinc/31/74/72/664317472.db2.gz OFMNIXDVIYCGDK-IIDWOEFGSA-N 1 1 301.310 -1.502 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]nc2n1 ZINC000960201442 664317476 /nfs/dbraw/zinc/31/74/76/664317476.db2.gz OFMNIXDVIYCGDK-IIDWOEFGSA-N 1 1 301.310 -1.502 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCCCS1(=O)=O ZINC000960238072 664317500 /nfs/dbraw/zinc/31/75/00/664317500.db2.gz ABEPDVJSTNRSMW-KXNHARMFSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCCCS1(=O)=O ZINC000960238072 664317504 /nfs/dbraw/zinc/31/75/04/664317504.db2.gz ABEPDVJSTNRSMW-KXNHARMFSA-N 1 1 302.396 -1.008 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C2CC2)nn1 ZINC000960272364 664317934 /nfs/dbraw/zinc/31/79/34/664317934.db2.gz FFUBYFVZPHVQPP-MSRIBSCDSA-N 1 1 304.354 -1.313 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C2CC2)nn1 ZINC000960272364 664317939 /nfs/dbraw/zinc/31/79/39/664317939.db2.gz FFUBYFVZPHVQPP-MSRIBSCDSA-N 1 1 304.354 -1.313 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC000960248836 664317950 /nfs/dbraw/zinc/31/79/50/664317950.db2.gz RZGIDPWDVVVNHW-KIGUWFBYSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)NC1 ZINC000960248836 664317955 /nfs/dbraw/zinc/31/79/55/664317955.db2.gz RZGIDPWDVVVNHW-KIGUWFBYSA-N 1 1 308.382 -1.305 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCNC1=O ZINC000960252893 664318157 /nfs/dbraw/zinc/31/81/57/664318157.db2.gz BNWFBMIWINPKGR-PUHVVEEASA-N 1 1 308.382 -1.353 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000960308665 664318396 /nfs/dbraw/zinc/31/83/96/664318396.db2.gz OSROXZWSLMNGJG-FOCJUVANSA-N 1 1 323.393 -1.072 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960304680 664318450 /nfs/dbraw/zinc/31/84/50/664318450.db2.gz JCSYPOQVHAIIKH-BBGACYKPSA-N 1 1 324.381 -1.845 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960302675 664318603 /nfs/dbraw/zinc/31/86/03/664318603.db2.gz FAYJYKJCGRZDQZ-FJJYHAOUSA-N 1 1 311.382 -1.074 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960296557 664318612 /nfs/dbraw/zinc/31/86/12/664318612.db2.gz ISJOPNOSKDVRRU-APOZVJGGSA-N 1 1 305.338 -1.191 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCO2 ZINC000960296557 664318615 /nfs/dbraw/zinc/31/86/15/664318615.db2.gz ISJOPNOSKDVRRU-APOZVJGGSA-N 1 1 305.338 -1.191 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000960308664 664318726 /nfs/dbraw/zinc/31/87/26/664318726.db2.gz OSROXZWSLMNGJG-BCUIYNNISA-N 1 1 323.393 -1.072 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC000960310179 664318795 /nfs/dbraw/zinc/31/87/95/664318795.db2.gz RCGMWSKESUFPJO-PUHVVEEASA-N 1 1 324.381 -1.974 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960364328 664319771 /nfs/dbraw/zinc/31/97/71/664319771.db2.gz ACUKTSPNLXDBLS-QISWUMQESA-N 1 1 319.365 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2n1CCOC2 ZINC000960364328 664319772 /nfs/dbraw/zinc/31/97/72/664319772.db2.gz ACUKTSPNLXDBLS-QISWUMQESA-N 1 1 319.365 -1.053 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O)NC1CC1 ZINC000960381217 664319800 /nfs/dbraw/zinc/31/98/00/664319800.db2.gz IKXCKNBYJLDTBX-CIQGVGRVSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O)NC1CC1 ZINC000960381217 664319803 /nfs/dbraw/zinc/31/98/03/664319803.db2.gz IKXCKNBYJLDTBX-CIQGVGRVSA-N 1 1 320.393 -1.162 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 ZINC000960443375 664320156 /nfs/dbraw/zinc/32/01/56/664320156.db2.gz LPTDAQJVAOLNKD-DEKYYXRVSA-N 1 1 308.382 -1.210 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)CC(N)=O)C[C@@H]32)C1 ZINC000960412693 664320319 /nfs/dbraw/zinc/32/03/19/664320319.db2.gz WTTILKQSCLJHAX-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1cnnn1)[C@@H]1CCCNC1=O ZINC000960405392 664320367 /nfs/dbraw/zinc/32/03/67/664320367.db2.gz DJFDQCNSKKKYSJ-NWDGAFQWSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1cnnn1)[C@H]1CCCNC1=O ZINC000960405386 664320451 /nfs/dbraw/zinc/32/04/51/664320451.db2.gz DJFDQCNSKKKYSJ-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)CC(N)=O)[C@H]1CCC(=O)NC1=O ZINC000960501329 664321236 /nfs/dbraw/zinc/32/12/36/664321236.db2.gz VNFPKPHGTDGLQT-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000960525060 664321263 /nfs/dbraw/zinc/32/12/63/664321263.db2.gz ZRIAUGMTXUOVBO-IAZYJMLFSA-N 1 1 319.365 -1.207 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000960525060 664321266 /nfs/dbraw/zinc/32/12/66/664321266.db2.gz ZRIAUGMTXUOVBO-IAZYJMLFSA-N 1 1 319.365 -1.207 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960559960 664321418 /nfs/dbraw/zinc/32/14/18/664321418.db2.gz OXPOAGIVWVCEOA-QISWUMQESA-N 1 1 319.365 -1.053 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2c(n1)COCC2 ZINC000960559960 664321422 /nfs/dbraw/zinc/32/14/22/664321422.db2.gz OXPOAGIVWVCEOA-QISWUMQESA-N 1 1 319.365 -1.053 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)O1 ZINC000960526275 664321464 /nfs/dbraw/zinc/32/14/64/664321464.db2.gz LFDBYELMZIORLP-VVSAWPALSA-N 1 1 324.425 -1.160 20 0 DAADMO C[N@@H+](C[C@@H]1CCCN1C(=O)CC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC000960501328 664321600 /nfs/dbraw/zinc/32/16/00/664321600.db2.gz VNFPKPHGTDGLQT-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)c1 ZINC000960613073 664321766 /nfs/dbraw/zinc/32/17/66/664321766.db2.gz WQFKTFJPUDHEDE-PJXYFTJBSA-N 1 1 302.334 -1.069 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(N)=O)c1 ZINC000960613073 664321770 /nfs/dbraw/zinc/32/17/70/664321770.db2.gz WQFKTFJPUDHEDE-PJXYFTJBSA-N 1 1 302.334 -1.069 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)co1 ZINC000960621409 664321819 /nfs/dbraw/zinc/32/18/19/664321819.db2.gz KCWZLKFPLHVFHH-JZYVYDRUSA-N 1 1 315.351 -1.421 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 ZINC000960630214 664321981 /nfs/dbraw/zinc/32/19/81/664321981.db2.gz NCUXQWRKFIOJKK-BCUIYNNISA-N 1 1 324.425 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cncc2C1 ZINC000960632701 664322066 /nfs/dbraw/zinc/32/20/66/664322066.db2.gz UUWPAGJWNMOEGE-WUWHUORYSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cncc2C1 ZINC000960632701 664322069 /nfs/dbraw/zinc/32/20/69/664322069.db2.gz UUWPAGJWNMOEGE-WUWHUORYSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nccn2C1 ZINC000960640164 664322242 /nfs/dbraw/zinc/32/22/42/664322242.db2.gz BBYHAJUMWANCHX-KZWBYHQPSA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nccn2C1 ZINC000960640164 664322247 /nfs/dbraw/zinc/32/22/47/664322247.db2.gz BBYHAJUMWANCHX-KZWBYHQPSA-N 1 1 303.366 -1.023 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC000960660497 664322831 /nfs/dbraw/zinc/32/28/31/664322831.db2.gz OGTOLEJAMMHANV-MVVXRAEJSA-N 1 1 302.396 -1.152 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC000960660497 664322833 /nfs/dbraw/zinc/32/28/33/664322833.db2.gz OGTOLEJAMMHANV-MVVXRAEJSA-N 1 1 302.396 -1.152 20 0 DAADMO C[N@@H+](C[C@H]1CCCN1C(=O)Cn1ncnn1)[C@@H]1CCCNC1=O ZINC000960658220 664322937 /nfs/dbraw/zinc/32/29/37/664322937.db2.gz UGRDCBTWPKROFM-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000960659322 664323018 /nfs/dbraw/zinc/32/30/18/664323018.db2.gz LBHKBCNLDJGRTH-PUHVVEEASA-N 1 1 303.366 -1.023 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000960659322 664323020 /nfs/dbraw/zinc/32/30/20/664323020.db2.gz LBHKBCNLDJGRTH-PUHVVEEASA-N 1 1 303.366 -1.023 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960664740 664323025 /nfs/dbraw/zinc/32/30/25/664323025.db2.gz WTYGTEBHTOELOK-MSRIBSCDSA-N 1 1 309.370 -2.708 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000960664740 664323027 /nfs/dbraw/zinc/32/30/27/664323027.db2.gz WTYGTEBHTOELOK-MSRIBSCDSA-N 1 1 309.370 -2.708 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cn[nH]n1 ZINC000960721644 664323316 /nfs/dbraw/zinc/32/33/16/664323316.db2.gz KAZSJNBTJWPZCE-VROVMSAKSA-N 1 1 319.325 -1.984 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960721644 664323319 /nfs/dbraw/zinc/32/33/19/664323319.db2.gz KAZSJNBTJWPZCE-VROVMSAKSA-N 1 1 319.325 -1.984 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960721644 664323322 /nfs/dbraw/zinc/32/33/22/664323322.db2.gz KAZSJNBTJWPZCE-VROVMSAKSA-N 1 1 319.325 -1.984 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)no1 ZINC000960714505 664323530 /nfs/dbraw/zinc/32/35/30/664323530.db2.gz QWWIVDWKRSIFIJ-IWIIMEHWSA-N 1 1 307.354 -1.119 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)no1 ZINC000960714505 664323534 /nfs/dbraw/zinc/32/35/34/664323534.db2.gz QWWIVDWKRSIFIJ-IWIIMEHWSA-N 1 1 307.354 -1.119 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1cn[nH]n1 ZINC000960746911 664323845 /nfs/dbraw/zinc/32/38/45/664323845.db2.gz ZVSSWXPRXPSCOT-JZYVYDRUSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746911 664323847 /nfs/dbraw/zinc/32/38/47/664323847.db2.gz ZVSSWXPRXPSCOT-JZYVYDRUSA-N 1 1 305.342 -1.510 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)c1cnn[nH]1 ZINC000960746911 664323852 /nfs/dbraw/zinc/32/38/52/664323852.db2.gz ZVSSWXPRXPSCOT-JZYVYDRUSA-N 1 1 305.342 -1.510 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)ccc1=O ZINC000960750677 664323889 /nfs/dbraw/zinc/32/38/89/664323889.db2.gz OHNSEOOFERPWHL-CZXHOFHRSA-N 1 1 316.361 -1.066 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)NC1CC1 ZINC000960727314 664323994 /nfs/dbraw/zinc/32/39/94/664323994.db2.gz GERFDAHTRDQXPO-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1)NC1CC1 ZINC000960727314 664323996 /nfs/dbraw/zinc/32/39/96/664323996.db2.gz GERFDAHTRDQXPO-NYMYIZQJSA-N 1 1 320.393 -1.162 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000960747903 664324050 /nfs/dbraw/zinc/32/40/50/664324050.db2.gz FSUYUXFIFZINSN-GOONRYMUSA-N 1 1 304.350 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960757794 664324241 /nfs/dbraw/zinc/32/42/41/664324241.db2.gz KUMXPOQUTGSJOT-UXCLJVHYSA-N 1 1 309.370 -1.678 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960757794 664324246 /nfs/dbraw/zinc/32/42/46/664324246.db2.gz KUMXPOQUTGSJOT-UXCLJVHYSA-N 1 1 309.370 -1.678 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000960756095 664324255 /nfs/dbraw/zinc/32/42/55/664324255.db2.gz FFQGLWDJOXGWOB-XZUYRWCXSA-N 1 1 321.381 -1.663 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCNC1=O ZINC000960758596 664324348 /nfs/dbraw/zinc/32/43/48/664324348.db2.gz MPXATMHBGNLZCW-YABSGUDNSA-N 1 1 323.397 -1.464 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960813795 664324684 /nfs/dbraw/zinc/32/46/84/664324684.db2.gz HLTSIKGZXQXKOF-IWIIMEHWSA-N 1 1 319.365 -1.470 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960813795 664324686 /nfs/dbraw/zinc/32/46/86/664324686.db2.gz HLTSIKGZXQXKOF-IWIIMEHWSA-N 1 1 319.365 -1.470 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960826619 664325306 /nfs/dbraw/zinc/32/53/06/664325306.db2.gz MHKSMLDEXDFLPS-QAHWYCSRSA-N 1 1 319.365 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960826619 664325308 /nfs/dbraw/zinc/32/53/08/664325308.db2.gz MHKSMLDEXDFLPS-QAHWYCSRSA-N 1 1 319.365 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960826615 664325530 /nfs/dbraw/zinc/32/55/30/664325530.db2.gz MHKSMLDEXDFLPS-BXSSEVMYSA-N 1 1 319.365 -1.342 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000960826615 664325533 /nfs/dbraw/zinc/32/55/33/664325533.db2.gz MHKSMLDEXDFLPS-BXSSEVMYSA-N 1 1 319.365 -1.342 20 0 DAADMO CN1CC[C@@H]([N@H+](C)C[C@H]2CCCN2C(=O)c2nnn(C)n2)C1=O ZINC000960817398 664325553 /nfs/dbraw/zinc/32/55/53/664325553.db2.gz VZOVWNKWTLYEER-GHMZBOCLSA-N 1 1 321.385 -1.023 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960850518 664325961 /nfs/dbraw/zinc/32/59/61/664325961.db2.gz FMFGWPORDNGBHS-JDICNCQASA-N 1 1 307.310 -2.519 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960850518 664325962 /nfs/dbraw/zinc/32/59/62/664325962.db2.gz FMFGWPORDNGBHS-JDICNCQASA-N 1 1 307.310 -2.519 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960861881 664326088 /nfs/dbraw/zinc/32/60/88/664326088.db2.gz FXOGNIRHHLWUGD-WOFXILAISA-N 1 1 321.337 -2.259 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960861881 664326089 /nfs/dbraw/zinc/32/60/89/664326089.db2.gz FXOGNIRHHLWUGD-WOFXILAISA-N 1 1 321.337 -2.259 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000960868780 664327121 /nfs/dbraw/zinc/32/71/21/664327121.db2.gz XZKULYHRSKQMNS-DNJQJEMRSA-N 1 1 308.338 -1.624 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1 ZINC000960870105 664327558 /nfs/dbraw/zinc/32/75/58/664327558.db2.gz JVEHHGQVEQDIKR-GRYCIOLGSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960874370 664327800 /nfs/dbraw/zinc/32/78/00/664327800.db2.gz SNBQQILQRUVTTP-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC000960870936 664327836 /nfs/dbraw/zinc/32/78/36/664327836.db2.gz RTPZWIGZDJAENA-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960933983 664328296 /nfs/dbraw/zinc/32/82/96/664328296.db2.gz BQMFBLIETYWLEV-LITAXDCLSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)o1 ZINC000960933983 664328298 /nfs/dbraw/zinc/32/82/98/664328298.db2.gz BQMFBLIETYWLEV-LITAXDCLSA-N 1 1 306.322 -1.088 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC000960979152 664328538 /nfs/dbraw/zinc/32/85/38/664328538.db2.gz HHMVPYDKCBBEFV-JCRCQARHSA-N 1 1 316.361 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CN(C(=O)C(N)=O)C[C@@H]32)C1 ZINC000960954038 664328592 /nfs/dbraw/zinc/32/85/92/664328592.db2.gz IFFMKIKYTUESLX-SDDRHHMPSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960984319 664329154 /nfs/dbraw/zinc/32/91/54/664329154.db2.gz XQLGVPVAUOZWOK-PRQTWWFRSA-N 1 1 315.337 -1.113 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnc2n[nH]nc21 ZINC000960984319 664329155 /nfs/dbraw/zinc/32/91/55/664329155.db2.gz XQLGVPVAUOZWOK-PRQTWWFRSA-N 1 1 315.337 -1.113 20 0 DAADMO CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@@H]1O ZINC000961044520 664329512 /nfs/dbraw/zinc/32/95/12/664329512.db2.gz NPECDVBKCVSJHX-SNUKUXNHSA-N 1 1 323.393 -1.053 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961067957 664329937 /nfs/dbraw/zinc/32/99/37/664329937.db2.gz CZUQYQVZSKCBQH-VGMNWLOBSA-N 1 1 307.297 -1.730 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961067957 664329940 /nfs/dbraw/zinc/32/99/40/664329940.db2.gz CZUQYQVZSKCBQH-VGMNWLOBSA-N 1 1 307.297 -1.730 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961075410 664331249 /nfs/dbraw/zinc/33/12/49/664331249.db2.gz FVCKTTASORBGPK-GDGBQDQQSA-N 1 1 301.310 -1.730 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2nnnn2c1 ZINC000961075410 664331250 /nfs/dbraw/zinc/33/12/50/664331250.db2.gz FVCKTTASORBGPK-GDGBQDQQSA-N 1 1 301.310 -1.730 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961090830 664332141 /nfs/dbraw/zinc/33/21/41/664332141.db2.gz LSDOCDOCJDBOIP-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)C(F)F)[C@@H](O)C2)C1 ZINC000961090830 664332146 /nfs/dbraw/zinc/33/21/46/664332146.db2.gz LSDOCDOCJDBOIP-UTLUCORTSA-N 1 1 321.324 -1.340 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3[C@H]4C[N@H+](CC(N)=O)C[C@H]43)cnc21 ZINC000961165220 664334153 /nfs/dbraw/zinc/33/41/53/664334153.db2.gz CLRBFHVCZCCZQI-GDGBQDQQSA-N 1 1 315.337 -1.491 20 0 DAADMO Cn1nnc2cc(C(=O)N[C@@H]3[C@H]4C[N@@H+](CC(N)=O)C[C@H]43)cnc21 ZINC000961165220 664334154 /nfs/dbraw/zinc/33/41/54/664334154.db2.gz CLRBFHVCZCCZQI-GDGBQDQQSA-N 1 1 315.337 -1.491 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C1 ZINC000961220412 664335135 /nfs/dbraw/zinc/33/51/35/664335135.db2.gz LHEOYVXRCIZEGR-FVCCEPFGSA-N 1 1 322.409 -1.024 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC000961221023 664335310 /nfs/dbraw/zinc/33/53/10/664335310.db2.gz UYNSHRVTUDXLKN-QWRGUYRKSA-N 1 1 321.385 -1.131 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235053 664335656 /nfs/dbraw/zinc/33/56/56/664335656.db2.gz PXGSEOIQWKHIBJ-MNOVXSKESA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235053 664335659 /nfs/dbraw/zinc/33/56/59/664335659.db2.gz PXGSEOIQWKHIBJ-MNOVXSKESA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235065 664335751 /nfs/dbraw/zinc/33/57/51/664335751.db2.gz PXGSEOIQWKHIBJ-WDEREUQCSA-N 1 1 321.385 -1.244 20 0 DAADMO Cn1nnnc1C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961235065 664335755 /nfs/dbraw/zinc/33/57/55/664335755.db2.gz PXGSEOIQWKHIBJ-WDEREUQCSA-N 1 1 321.385 -1.244 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961267788 664336462 /nfs/dbraw/zinc/33/64/62/664336462.db2.gz PGCPEGVXQCBGCP-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)cn1 ZINC000961267788 664336464 /nfs/dbraw/zinc/33/64/64/664336464.db2.gz PGCPEGVXQCBGCP-WOFXILAISA-N 1 1 305.338 -1.814 20 0 DAADMO CCn1cc(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000961317228 664336904 /nfs/dbraw/zinc/33/69/04/664336904.db2.gz YSHGPDJDGLLRDK-CZXHOFHRSA-N 1 1 318.381 -1.225 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 ZINC000961312478 664337003 /nfs/dbraw/zinc/33/70/03/664337003.db2.gz MCNDEOAIHYHSAO-MHOHDPQLSA-N 1 1 308.382 -1.353 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CNC(=O)C1 ZINC000961328983 664337593 /nfs/dbraw/zinc/33/75/93/664337593.db2.gz BHSKDKKGPDEQBG-REJLFOLJSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)c1cnco1 ZINC000961392720 664338766 /nfs/dbraw/zinc/33/87/66/664338766.db2.gz HYGGNXHZQBUGLZ-GDGBQDQQSA-N 1 1 319.321 -1.114 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961443656 664340642 /nfs/dbraw/zinc/34/06/42/664340642.db2.gz AQYMWFRUQKOOPT-WYOJIJJFSA-N 1 1 307.354 -1.038 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961443656 664340643 /nfs/dbraw/zinc/34/06/43/664340643.db2.gz AQYMWFRUQKOOPT-WYOJIJJFSA-N 1 1 307.354 -1.038 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC000961451396 664341649 /nfs/dbraw/zinc/34/16/49/664341649.db2.gz GPZRZAXAWAZBMV-DCQANWLSSA-N 1 1 306.366 -1.599 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2O)cn1 ZINC000961457424 664341797 /nfs/dbraw/zinc/34/17/97/664341797.db2.gz AMZMJGHQYDKTPA-AGIUHOORSA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC000961465722 664342256 /nfs/dbraw/zinc/34/22/56/664342256.db2.gz IUIBNYKTLRLWJF-WYUUTHIRSA-N 1 1 321.381 -1.806 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c1=O ZINC000961465885 664342365 /nfs/dbraw/zinc/34/23/65/664342365.db2.gz HAKMEFJPNWEHQI-MBTKJCJQSA-N 1 1 307.310 -2.369 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c1=O ZINC000961465885 664342367 /nfs/dbraw/zinc/34/23/67/664342367.db2.gz HAKMEFJPNWEHQI-MBTKJCJQSA-N 1 1 307.310 -2.369 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)NC1=O ZINC000961472906 664342931 /nfs/dbraw/zinc/34/29/31/664342931.db2.gz XJLOCYHFSJVEKY-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)NC1=O ZINC000961472906 664342933 /nfs/dbraw/zinc/34/29/33/664342933.db2.gz XJLOCYHFSJVEKY-XQHKEYJVSA-N 1 1 318.381 -1.010 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC000961483186 664343323 /nfs/dbraw/zinc/34/33/23/664343323.db2.gz RDHCWFNKAWSMEP-NMKXLXIOSA-N 1 1 320.393 -1.209 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961477694 664343367 /nfs/dbraw/zinc/34/33/67/664343367.db2.gz IIJYQLRGXWYKDU-QISWUMQESA-N 1 1 309.370 -2.662 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961477694 664343370 /nfs/dbraw/zinc/34/33/70/664343370.db2.gz IIJYQLRGXWYKDU-QISWUMQESA-N 1 1 309.370 -2.662 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC000961479590 664343626 /nfs/dbraw/zinc/34/36/26/664343626.db2.gz NNYKEZYZQDKZIW-DEKYYXRVSA-N 1 1 323.397 -2.272 20 0 DAADMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC000961496441 664343856 /nfs/dbraw/zinc/34/38/56/664343856.db2.gz FWFSALBHFKVLPX-OZTPJHRESA-N 1 1 320.393 -1.114 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCCC4=O)C[C@H]32)n1 ZINC000961501596 664344337 /nfs/dbraw/zinc/34/43/37/664344337.db2.gz YPOQQYVQLVZXLY-IAZYJMLFSA-N 1 1 319.369 -1.508 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961520628 664344660 /nfs/dbraw/zinc/34/46/60/664344660.db2.gz GQUFUTDCQIFUPO-SNXWAXQRSA-N 1 1 319.369 -1.463 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961520628 664344665 /nfs/dbraw/zinc/34/46/65/664344665.db2.gz GQUFUTDCQIFUPO-SNXWAXQRSA-N 1 1 319.369 -1.463 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961520626 664344761 /nfs/dbraw/zinc/34/47/61/664344761.db2.gz GQUFUTDCQIFUPO-CPOMMVLXSA-N 1 1 319.369 -1.463 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961520626 664344765 /nfs/dbraw/zinc/34/47/65/664344765.db2.gz GQUFUTDCQIFUPO-CPOMMVLXSA-N 1 1 319.369 -1.463 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cccn2)[C@@H](O)C1 ZINC000961546256 664346017 /nfs/dbraw/zinc/34/60/17/664346017.db2.gz GTUKXGFTCLSNDH-AGIUHOORSA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961553680 664346429 /nfs/dbraw/zinc/34/64/29/664346429.db2.gz QERPSPUBVCYSFB-DEPOSQTCSA-N 1 1 319.361 -1.270 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC000961582370 664347007 /nfs/dbraw/zinc/34/70/07/664347007.db2.gz LTZROOCZRRIAIB-CZXHOFHRSA-N 1 1 318.381 -1.018 20 0 DAADMO Cn1nncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1C ZINC000961582370 664347009 /nfs/dbraw/zinc/34/70/09/664347009.db2.gz LTZROOCZRRIAIB-CZXHOFHRSA-N 1 1 318.381 -1.018 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3COCCO3)C2)n1 ZINC000961570185 664347340 /nfs/dbraw/zinc/34/73/40/664347340.db2.gz BWGSRBMCZPEROB-ILDUYXDCSA-N 1 1 310.358 -1.390 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961600398 664347934 /nfs/dbraw/zinc/34/79/34/664347934.db2.gz OEKRWAMBKKUFSB-WOFXILAISA-N 1 1 306.322 -1.547 20 0 DAADMO NC(=O)Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961600398 664347936 /nfs/dbraw/zinc/34/79/36/664347936.db2.gz OEKRWAMBKKUFSB-WOFXILAISA-N 1 1 306.322 -1.547 20 0 DAADMO Cn1nccc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961628216 664348255 /nfs/dbraw/zinc/34/82/55/664348255.db2.gz KPCUQPRILJBVMT-QNWHQSFQSA-N 1 1 318.381 -1.310 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC000961628311 664348770 /nfs/dbraw/zinc/34/87/70/664348770.db2.gz LMTSOGKXUATJAF-MIZYBKAJSA-N 1 1 307.354 -2.007 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC000961628311 664348774 /nfs/dbraw/zinc/34/87/74/664348774.db2.gz LMTSOGKXUATJAF-MIZYBKAJSA-N 1 1 307.354 -2.007 20 0 DAADMO Cn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961628266 664348911 /nfs/dbraw/zinc/34/89/11/664348911.db2.gz KYKYTMFTZCOOHV-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO Cn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC000961628266 664348915 /nfs/dbraw/zinc/34/89/15/664348915.db2.gz KYKYTMFTZCOOHV-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961633301 664349381 /nfs/dbraw/zinc/34/93/81/664349381.db2.gz XWLMHQAIAMTKBF-WHOHXGKFSA-N 1 1 304.354 -1.389 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC000961633258 664349470 /nfs/dbraw/zinc/34/94/70/664349470.db2.gz XOKJMLAUARMAQS-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)N2)n1 ZINC000961633258 664349471 /nfs/dbraw/zinc/34/94/71/664349471.db2.gz XOKJMLAUARMAQS-WHOHXGKFSA-N 1 1 304.354 -1.352 20 0 DAADMO C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000961635367 664349522 /nfs/dbraw/zinc/34/95/22/664349522.db2.gz FSSVPALXPBRWMZ-MEWQQHAOSA-N 1 1 308.382 -1.081 20 0 DAADMO CC1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CC1 ZINC000961642570 664349785 /nfs/dbraw/zinc/34/97/85/664349785.db2.gz UFRAASDRBXUUSV-PJXYFTJBSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961644855 664350045 /nfs/dbraw/zinc/35/00/45/664350045.db2.gz ZUDSLVSZNBAGCP-ZRUFSTJUSA-N 1 1 305.342 -1.994 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC000961647765 664350478 /nfs/dbraw/zinc/35/04/78/664350478.db2.gz LXYPVKVKHPCZSA-URLYPYJESA-N 1 1 315.395 -1.657 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CCO1 ZINC000961660766 664351259 /nfs/dbraw/zinc/35/12/59/664351259.db2.gz SHZHQPQXDPKBHN-UXCLJVHYSA-N 1 1 310.354 -2.235 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CCO1 ZINC000961660766 664351262 /nfs/dbraw/zinc/35/12/62/664351262.db2.gz SHZHQPQXDPKBHN-UXCLJVHYSA-N 1 1 310.354 -2.235 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC000961682169 664352174 /nfs/dbraw/zinc/35/21/74/664352174.db2.gz SGFOBSCMJZHERU-REIXXSIJSA-N 1 1 307.354 -1.080 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961701411 664353654 /nfs/dbraw/zinc/35/36/54/664353654.db2.gz NGNRYBHAVMRYGH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)C1 ZINC000961701411 664353656 /nfs/dbraw/zinc/35/36/56/664353656.db2.gz NGNRYBHAVMRYGH-WOPDTQHZSA-N 1 1 323.353 -1.958 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961737025 664354288 /nfs/dbraw/zinc/35/42/88/664354288.db2.gz KWLXZEZKCWFVIX-CNABLZDZSA-N 1 1 306.322 -1.088 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(N)=O)co1 ZINC000961737025 664354291 /nfs/dbraw/zinc/35/42/91/664354291.db2.gz KWLXZEZKCWFVIX-CNABLZDZSA-N 1 1 306.322 -1.088 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C ZINC000961741352 664354610 /nfs/dbraw/zinc/35/46/10/664354610.db2.gz IAGZDDWHDRTLIH-MSRIBSCDSA-N 1 1 304.350 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C ZINC000961741352 664354614 /nfs/dbraw/zinc/35/46/14/664354614.db2.gz IAGZDDWHDRTLIH-MSRIBSCDSA-N 1 1 304.350 -1.209 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961744068 664355005 /nfs/dbraw/zinc/35/50/05/664355005.db2.gz VXFRPQKTPFSVPA-GRYCIOLGSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)C1 ZINC000961744068 664355006 /nfs/dbraw/zinc/35/50/06/664355006.db2.gz VXFRPQKTPFSVPA-GRYCIOLGSA-N 1 1 324.337 -1.693 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)O1 ZINC000961747573 664355507 /nfs/dbraw/zinc/35/55/07/664355507.db2.gz WVGSMGQZDJIBKA-OQEOFVATSA-N 1 1 324.381 -1.846 20 0 DAADMO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)O1 ZINC000961747573 664355508 /nfs/dbraw/zinc/35/55/08/664355508.db2.gz WVGSMGQZDJIBKA-OQEOFVATSA-N 1 1 324.381 -1.846 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)[nH]n1 ZINC000961764415 664356118 /nfs/dbraw/zinc/35/61/18/664356118.db2.gz FOHBFBXROXCDSC-UHTWSYAYSA-N 1 1 321.381 -1.029 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961781600 664356352 /nfs/dbraw/zinc/35/63/52/664356352.db2.gz RDBNYCRLDCPURH-LITAXDCLSA-N 1 1 305.338 -1.353 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000961781600 664356353 /nfs/dbraw/zinc/35/63/53/664356353.db2.gz RDBNYCRLDCPURH-LITAXDCLSA-N 1 1 305.338 -1.353 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC000961827638 664357976 /nfs/dbraw/zinc/35/79/76/664357976.db2.gz FERGUZXFOLLGAR-XQQFMLRXSA-N 1 1 322.365 -1.084 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961842218 664358524 /nfs/dbraw/zinc/35/85/24/664358524.db2.gz YTRBQARWIPCHHO-QRJZZWFUSA-N 1 1 319.365 -1.504 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961842218 664358527 /nfs/dbraw/zinc/35/85/27/664358527.db2.gz YTRBQARWIPCHHO-QRJZZWFUSA-N 1 1 319.365 -1.504 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000961903196 664360842 /nfs/dbraw/zinc/36/08/42/664360842.db2.gz OUVYBQRGILZTAM-YVNMAJEFSA-N 1 1 321.385 -1.327 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1O ZINC000961927739 664361334 /nfs/dbraw/zinc/36/13/34/664361334.db2.gz KGLMUWUEFWRQEP-UTUOFQBUSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1O ZINC000961926747 664361479 /nfs/dbraw/zinc/36/14/79/664361479.db2.gz BGUPPHDWZCZAEH-WOPDTQHZSA-N 1 1 319.365 -1.128 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O ZINC000961927412 664361506 /nfs/dbraw/zinc/36/15/06/664361506.db2.gz GYEGJUHEZULVLL-AGIUHOORSA-N 1 1 319.365 -1.128 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC000961921741 664361629 /nfs/dbraw/zinc/36/16/29/664361629.db2.gz AVFSUTKOULYGGC-UPJWGTAASA-N 1 1 321.381 -1.184 20 0 DAADMO CCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000961918995 664361644 /nfs/dbraw/zinc/36/16/44/664361644.db2.gz DJRKPNDWSRTEDC-PUHVVEEASA-N 1 1 308.382 -1.223 20 0 DAADMO CCCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC000961918995 664361648 /nfs/dbraw/zinc/36/16/48/664361648.db2.gz DJRKPNDWSRTEDC-PUHVVEEASA-N 1 1 308.382 -1.223 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000961926755 664361733 /nfs/dbraw/zinc/36/17/33/664361733.db2.gz BNYNAWWEAKDGTG-UTLUCORTSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC000961926755 664361737 /nfs/dbraw/zinc/36/17/37/664361737.db2.gz BNYNAWWEAKDGTG-UTLUCORTSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1O ZINC000961927414 664361892 /nfs/dbraw/zinc/36/18/92/664361892.db2.gz GYEGJUHEZULVLL-UPJWGTAASA-N 1 1 319.365 -1.128 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000961928993 664362274 /nfs/dbraw/zinc/36/22/74/664362274.db2.gz CKFOTIOTCLSADW-UXCLJVHYSA-N 1 1 322.365 -1.875 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000961931432 664362315 /nfs/dbraw/zinc/36/23/15/664362315.db2.gz JJLZWZTZGWTRBK-VWYCJHECSA-N 1 1 308.342 -1.800 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000961931432 664362317 /nfs/dbraw/zinc/36/23/17/664362317.db2.gz JJLZWZTZGWTRBK-VWYCJHECSA-N 1 1 308.342 -1.800 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC000961942522 664363042 /nfs/dbraw/zinc/36/30/42/664363042.db2.gz ZBBLLOHIWMKTOX-MBTKJCJQSA-N 1 1 310.310 -2.554 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnn(C)n2)C1 ZINC000961941947 664363063 /nfs/dbraw/zinc/36/30/63/664363063.db2.gz FZASSICCNPHQAA-YUVKLTJASA-N 1 1 324.385 -1.002 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1O ZINC000961962158 664363749 /nfs/dbraw/zinc/36/37/49/664363749.db2.gz BOHDXKPEYLUCEA-VWYCJHECSA-N 1 1 322.369 -1.871 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961985220 664364184 /nfs/dbraw/zinc/36/41/84/664364184.db2.gz JAHNINKIIGVZJA-UXCLJVHYSA-N 1 1 321.385 -1.283 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961985220 664364186 /nfs/dbraw/zinc/36/41/86/664364186.db2.gz JAHNINKIIGVZJA-UXCLJVHYSA-N 1 1 321.385 -1.283 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC000961985713 664364238 /nfs/dbraw/zinc/36/42/38/664364238.db2.gz KKRIXNDXBRJTMJ-IWIIMEHWSA-N 1 1 321.385 -1.411 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC000961985713 664364243 /nfs/dbraw/zinc/36/42/43/664364243.db2.gz KKRIXNDXBRJTMJ-IWIIMEHWSA-N 1 1 321.385 -1.411 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1 ZINC000962012125 664364651 /nfs/dbraw/zinc/36/46/51/664364651.db2.gz QMCHIQNUDGFQKR-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962023605 664365027 /nfs/dbraw/zinc/36/50/27/664365027.db2.gz WRMASDAUMAGLJH-YMEQNVIZSA-N 1 1 320.393 -1.020 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962023605 664365030 /nfs/dbraw/zinc/36/50/30/664365030.db2.gz WRMASDAUMAGLJH-YMEQNVIZSA-N 1 1 320.393 -1.020 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)S1(=O)=O ZINC000962014465 664365229 /nfs/dbraw/zinc/36/52/29/664365229.db2.gz ZCTAXMFIJQJKIL-KXNHARMFSA-N 1 1 317.411 -1.551 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 ZINC000962022563 664365253 /nfs/dbraw/zinc/36/52/53/664365253.db2.gz RXIRJSZRCSDPKQ-KIGUWFBYSA-N 1 1 308.382 -1.210 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)s1 ZINC000962036466 664365487 /nfs/dbraw/zinc/36/54/87/664365487.db2.gz YCEFPRRXPRPPJF-IIDWOEFGSA-N 1 1 308.363 -1.008 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)s1 ZINC000962036466 664365490 /nfs/dbraw/zinc/36/54/90/664365490.db2.gz YCEFPRRXPRPPJF-IIDWOEFGSA-N 1 1 308.363 -1.008 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962032533 664365559 /nfs/dbraw/zinc/36/55/59/664365559.db2.gz CMRIAIXKHVAYBV-UFAOYGAJSA-N 1 1 322.365 -1.780 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035010 664365631 /nfs/dbraw/zinc/36/56/31/664365631.db2.gz PIDBWKGZTNYNKB-WJOUQXRDSA-N 1 1 308.338 -2.041 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000962035010 664365634 /nfs/dbraw/zinc/36/56/34/664365634.db2.gz PIDBWKGZTNYNKB-WJOUQXRDSA-N 1 1 308.338 -2.041 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)C1 ZINC000962044603 664366397 /nfs/dbraw/zinc/36/63/97/664366397.db2.gz BENBTRNNCNZGDG-FRRDWIJNSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)C1 ZINC000962044603 664366402 /nfs/dbraw/zinc/36/64/02/664366402.db2.gz BENBTRNNCNZGDG-FRRDWIJNSA-N 1 1 323.349 -1.088 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000962044469 664366452 /nfs/dbraw/zinc/36/64/52/664366452.db2.gz AAVSIOIEMVVSIO-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000962044469 664366455 /nfs/dbraw/zinc/36/64/55/664366455.db2.gz AAVSIOIEMVVSIO-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000962048200 664366618 /nfs/dbraw/zinc/36/66/18/664366618.db2.gz QITOPKHFSREYEJ-GRYCIOLGSA-N 1 1 324.337 -1.693 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccon3)C[C@@H]2O)C1 ZINC000962048200 664366624 /nfs/dbraw/zinc/36/66/24/664366624.db2.gz QITOPKHFSREYEJ-GRYCIOLGSA-N 1 1 324.337 -1.693 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962059973 664366702 /nfs/dbraw/zinc/36/67/02/664366702.db2.gz NQQMACCZKHLDLJ-KIKITERTSA-N 1 1 323.353 -2.152 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC000962048917 664366774 /nfs/dbraw/zinc/36/67/74/664366774.db2.gz SXJUYMMSONOIKE-OUAUKWLOSA-N 1 1 317.411 -1.632 20 0 DAADMO CSCC(=O)N1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC000962048917 664366778 /nfs/dbraw/zinc/36/67/78/664366778.db2.gz SXJUYMMSONOIKE-OUAUKWLOSA-N 1 1 317.411 -1.632 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962063790 664366990 /nfs/dbraw/zinc/36/69/90/664366990.db2.gz BHEIUEGDBGRSAQ-JDICNCQASA-N 1 1 309.326 -2.669 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC000962063790 664366994 /nfs/dbraw/zinc/36/69/94/664366994.db2.gz BHEIUEGDBGRSAQ-JDICNCQASA-N 1 1 309.326 -2.669 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)C1 ZINC000962047561 664367024 /nfs/dbraw/zinc/36/70/24/664367024.db2.gz OYRXVTOIIPJIKQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)C1 ZINC000962047561 664367028 /nfs/dbraw/zinc/36/70/28/664367028.db2.gz OYRXVTOIIPJIKQ-AGIUHOORSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nnc[nH]1 ZINC000962085105 664367373 /nfs/dbraw/zinc/36/73/73/664367373.db2.gz NYOKDHSGGPPRRM-JIOCBJNQSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962085105 664367376 /nfs/dbraw/zinc/36/73/76/664367376.db2.gz NYOKDHSGGPPRRM-JIOCBJNQSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1ncn[nH]1 ZINC000962085105 664367380 /nfs/dbraw/zinc/36/73/80/664367380.db2.gz NYOKDHSGGPPRRM-JIOCBJNQSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962085105 664367381 /nfs/dbraw/zinc/36/73/81/664367381.db2.gz NYOKDHSGGPPRRM-JIOCBJNQSA-N 1 1 304.310 -1.730 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)c1nc[nH]n1 ZINC000962085105 664367384 /nfs/dbraw/zinc/36/73/84/664367384.db2.gz NYOKDHSGGPPRRM-JIOCBJNQSA-N 1 1 304.310 -1.730 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962080275 664367428 /nfs/dbraw/zinc/36/74/28/664367428.db2.gz KLSZDWXNJNWDJH-JZYVYDRUSA-N 1 1 315.337 -1.470 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 ZINC000962080275 664367431 /nfs/dbraw/zinc/36/74/31/664367431.db2.gz KLSZDWXNJNWDJH-JZYVYDRUSA-N 1 1 315.337 -1.470 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)ccc1=O ZINC000962071397 664367438 /nfs/dbraw/zinc/36/74/38/664367438.db2.gz DGAHOTHGYNUYHX-MSRIBSCDSA-N 1 1 319.365 -1.331 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)ccc1=O ZINC000962071397 664367440 /nfs/dbraw/zinc/36/74/40/664367440.db2.gz DGAHOTHGYNUYHX-MSRIBSCDSA-N 1 1 319.365 -1.331 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1cnon1 ZINC000962103121 664367903 /nfs/dbraw/zinc/36/79/03/664367903.db2.gz VGKSZQKTLXQAEP-IQOVXZNZSA-N 1 1 305.294 -1.465 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC000962155394 664368412 /nfs/dbraw/zinc/36/84/12/664368412.db2.gz QGXMBMOQUPRJJN-BSJXLVFVSA-N 1 1 317.349 -1.338 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)c1ncccn1 ZINC000962125345 664368455 /nfs/dbraw/zinc/36/84/55/664368455.db2.gz ZPCOTUCSLLUVHS-MIZYBKAJSA-N 1 1 315.333 -1.058 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC000962166882 664368723 /nfs/dbraw/zinc/36/87/23/664368723.db2.gz BBRRPSURZWQQTM-UHFFFAOYSA-N 1 1 320.357 -1.053 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC000962167612 664369048 /nfs/dbraw/zinc/36/90/48/664369048.db2.gz CVHYGFZCNSXNLI-RTBKNWGFSA-N 1 1 322.373 -1.782 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000962191395 664369268 /nfs/dbraw/zinc/36/92/68/664369268.db2.gz JLABHGWRAMTTJN-SVDPJWKOSA-N 1 1 324.381 -1.256 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC(=O)NC1=O ZINC000962227220 664370141 /nfs/dbraw/zinc/37/01/41/664370141.db2.gz JAMQYHYFMPSNKF-QISWUMQESA-N 1 1 310.354 -1.645 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC000962244429 664370478 /nfs/dbraw/zinc/37/04/78/664370478.db2.gz CCYHYKKSYPKMFH-AMDVSUOASA-N 1 1 308.346 -2.124 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962236715 664370527 /nfs/dbraw/zinc/37/05/27/664370527.db2.gz GGXVFGIIOZRLQA-YABSGUDNSA-N 1 1 321.381 -1.580 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962236387 664370655 /nfs/dbraw/zinc/37/06/55/664370655.db2.gz DRDFNYQOTWNGAM-KZWBYHQPSA-N 1 1 308.382 -1.223 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962236387 664370656 /nfs/dbraw/zinc/37/06/56/664370656.db2.gz DRDFNYQOTWNGAM-KZWBYHQPSA-N 1 1 308.382 -1.223 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962252373 664371047 /nfs/dbraw/zinc/37/10/47/664371047.db2.gz PKVULIRRPKHMCY-MSRIBSCDSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000962252373 664371052 /nfs/dbraw/zinc/37/10/52/664371052.db2.gz PKVULIRRPKHMCY-MSRIBSCDSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000962251802 664371299 /nfs/dbraw/zinc/37/12/99/664371299.db2.gz NBZPJQJDESDEHU-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000962251802 664371302 /nfs/dbraw/zinc/37/13/02/664371302.db2.gz NBZPJQJDESDEHU-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC000962251802 664371304 /nfs/dbraw/zinc/37/13/04/664371304.db2.gz NBZPJQJDESDEHU-MPXOCVNLSA-N 1 1 304.354 -1.328 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC000962250102 664371462 /nfs/dbraw/zinc/37/14/62/664371462.db2.gz HJPAXUWMOKTSBX-NNYUYHANSA-N 1 1 308.382 -1.414 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)c1 ZINC000962269739 664372093 /nfs/dbraw/zinc/37/20/93/664372093.db2.gz LPKTVUUIQTYBJM-WZRBSPASSA-N 1 1 321.381 -1.327 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3[C@H]4C[N@H+](CC(N)=O)C[C@H]43)n2n1 ZINC000962286292 664372352 /nfs/dbraw/zinc/37/23/52/664372352.db2.gz JOGPMWQJEJJLGO-GDGBQDQQSA-N 1 1 315.337 -1.422 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3[C@H]4C[N@@H+](CC(N)=O)C[C@H]43)n2n1 ZINC000962286292 664372354 /nfs/dbraw/zinc/37/23/54/664372354.db2.gz JOGPMWQJEJJLGO-GDGBQDQQSA-N 1 1 315.337 -1.422 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962290545 664372374 /nfs/dbraw/zinc/37/23/74/664372374.db2.gz BUFIEJPEPSLVLK-KZVDOYCCSA-N 1 1 303.366 -1.103 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962283759 664372443 /nfs/dbraw/zinc/37/24/43/664372443.db2.gz DVDACBCMCKVJSN-APOZVJGGSA-N 1 1 323.353 -2.199 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O ZINC000962283759 664372447 /nfs/dbraw/zinc/37/24/47/664372447.db2.gz DVDACBCMCKVJSN-APOZVJGGSA-N 1 1 323.353 -2.199 20 0 DAADMO Cn1nnc(C[NH2+]CC2CC(NC(=O)[C@@]3(C)CCNC3=O)C2)n1 ZINC000962302306 664372828 /nfs/dbraw/zinc/37/28/28/664372828.db2.gz RAJFADVOAHTUJX-FDZGAKKTSA-N 1 1 321.385 -1.279 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)nn1 ZINC000962316736 664372960 /nfs/dbraw/zinc/37/29/60/664372960.db2.gz DFFNHAKJZXNJIL-MSRIBSCDSA-N 1 1 318.381 -1.051 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)nn1 ZINC000962316736 664372961 /nfs/dbraw/zinc/37/29/61/664372961.db2.gz DFFNHAKJZXNJIL-MSRIBSCDSA-N 1 1 318.381 -1.051 20 0 DAADMO Cn1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1=O ZINC000962337288 664373347 /nfs/dbraw/zinc/37/33/47/664373347.db2.gz YMBNHAFBXYMUNQ-QNWHQSFQSA-N 1 1 316.361 -1.066 20 0 DAADMO Cn1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1=O ZINC000962337293 664373585 /nfs/dbraw/zinc/37/35/85/664373585.db2.gz YMBNHAFBXYMUNQ-XQHKEYJVSA-N 1 1 316.361 -1.066 20 0 DAADMO COc1c(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cnn1C ZINC000962410128 664374816 /nfs/dbraw/zinc/37/48/16/664374816.db2.gz UYTBNXGWBYSATG-WHOHXGKFSA-N 1 1 319.365 -1.023 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962431103 664375699 /nfs/dbraw/zinc/37/56/99/664375699.db2.gz NHAMCCYVGYYUDR-WUWHUORYSA-N 1 1 323.397 -1.028 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000962440197 664375762 /nfs/dbraw/zinc/37/57/62/664375762.db2.gz ZODXRZTXRBHXAG-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000962440197 664375765 /nfs/dbraw/zinc/37/57/65/664375765.db2.gz ZODXRZTXRBHXAG-CZXHOFHRSA-N 1 1 324.381 -1.974 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000962436446 664376005 /nfs/dbraw/zinc/37/60/05/664376005.db2.gz JPMTYROKGUIWCP-RQJABVFESA-N 1 1 311.382 -1.338 20 0 DAADMO O=C(NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC000962434366 664376053 /nfs/dbraw/zinc/37/60/53/664376053.db2.gz IBFXEGWDNLQDAH-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC000962434366 664376057 /nfs/dbraw/zinc/37/60/57/664376057.db2.gz IBFXEGWDNLQDAH-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O ZINC000962431680 664376145 /nfs/dbraw/zinc/37/61/45/664376145.db2.gz OMRDXAVGOOGSLV-PQFRYHKHSA-N 1 1 323.397 -1.028 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)ccc1=O ZINC000962469220 664376460 /nfs/dbraw/zinc/37/64/60/664376460.db2.gz OJGXYSYBUOFXBO-IZWKTGJZSA-N 1 1 317.349 -1.671 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962461858 664376491 /nfs/dbraw/zinc/37/64/91/664376491.db2.gz MDVGXAOUAYXNKP-VROVMSAKSA-N 1 1 323.353 -2.152 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC000962461858 664376494 /nfs/dbraw/zinc/37/64/94/664376494.db2.gz MDVGXAOUAYXNKP-VROVMSAKSA-N 1 1 323.353 -2.152 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncn2)C1=O ZINC000962478421 664377033 /nfs/dbraw/zinc/37/70/33/664377033.db2.gz XAQNQZQYOBTNMS-SRRSOLGSSA-N 1 1 304.354 -1.445 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(=O)n(C)n1 ZINC000962470578 664377043 /nfs/dbraw/zinc/37/70/43/664377043.db2.gz SWYGNXBOIFUJPA-PFWNZEGQSA-N 1 1 319.365 -1.296 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC000962485648 664377417 /nfs/dbraw/zinc/37/74/17/664377417.db2.gz SKICHARXUPNCGQ-KIKITERTSA-N 1 1 323.353 -2.152 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962492289 664377564 /nfs/dbraw/zinc/37/75/64/664377564.db2.gz NRFJTHRVFOUTOG-SREGZZRCSA-N 1 1 321.337 -2.527 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CCC1=O ZINC000962499344 664377965 /nfs/dbraw/zinc/37/79/65/664377965.db2.gz YUSJKBXEJXKENO-RTUWITSCSA-N 1 1 322.365 -1.730 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962507826 664378044 /nfs/dbraw/zinc/37/80/44/664378044.db2.gz HXFDVSBXEKTXDB-MBTKJCJQSA-N 1 1 318.337 -2.019 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O ZINC000962507826 664378060 /nfs/dbraw/zinc/37/80/60/664378060.db2.gz HXFDVSBXEKTXDB-MBTKJCJQSA-N 1 1 318.337 -2.019 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962499232 664378164 /nfs/dbraw/zinc/37/81/64/664378164.db2.gz XYWXYVBNUHIGBC-IAZYJMLFSA-N 1 1 309.370 -1.691 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 ZINC000962499232 664378165 /nfs/dbraw/zinc/37/81/65/664378165.db2.gz XYWXYVBNUHIGBC-IAZYJMLFSA-N 1 1 309.370 -1.691 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c(=O)[nH]c1=O ZINC000962525059 664378500 /nfs/dbraw/zinc/37/85/00/664378500.db2.gz AMWRBULMNCMJGH-JZYVYDRUSA-N 1 1 308.338 -1.472 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000962531425 664378594 /nfs/dbraw/zinc/37/85/94/664378594.db2.gz DCYZKVFTSZDPOV-JZYVYDRUSA-N 1 1 308.338 -1.208 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962520545 664378614 /nfs/dbraw/zinc/37/86/14/664378614.db2.gz NZWWIWLQDRIHQZ-ATCWAGBWSA-N 1 1 318.377 -1.017 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962517549 664378637 /nfs/dbraw/zinc/37/86/37/664378637.db2.gz HIAXPEMTXGSQKS-PUHVVEEASA-N 1 1 304.350 -1.232 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O ZINC000962517549 664378640 /nfs/dbraw/zinc/37/86/40/664378640.db2.gz HIAXPEMTXGSQKS-PUHVVEEASA-N 1 1 304.350 -1.232 20 0 DAADMO Cn1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000962549376 664379056 /nfs/dbraw/zinc/37/90/56/664379056.db2.gz CGVZAXYEJXJSJS-MEWQQHAOSA-N 1 1 305.386 -1.292 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)[nH]1 ZINC000962541890 664379128 /nfs/dbraw/zinc/37/91/28/664379128.db2.gz GXHLALOOSSNRCC-YABSGUDNSA-N 1 1 319.365 -1.127 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)[nH]1 ZINC000962541890 664379131 /nfs/dbraw/zinc/37/91/31/664379131.db2.gz GXHLALOOSSNRCC-YABSGUDNSA-N 1 1 319.365 -1.127 20 0 DAADMO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 ZINC000962544878 664379171 /nfs/dbraw/zinc/37/91/71/664379171.db2.gz MWEDLPAZEQAVFI-PJXYFTJBSA-N 1 1 301.412 -1.217 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000962592445 664379502 /nfs/dbraw/zinc/37/95/02/664379502.db2.gz FJMKBZHESJEQJO-SCVCMEIPSA-N 1 1 322.369 -1.789 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962609440 664380030 /nfs/dbraw/zinc/38/00/30/664380030.db2.gz UPXSCCVJCZFVKO-QCBRBAQYSA-N 1 1 316.383 -2.530 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000962609440 664380031 /nfs/dbraw/zinc/38/00/31/664380031.db2.gz UPXSCCVJCZFVKO-QCBRBAQYSA-N 1 1 316.383 -2.530 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000962601285 664380169 /nfs/dbraw/zinc/38/01/69/664380169.db2.gz BAAMCDFLPAJPIZ-YTWAJWBKSA-N 1 1 303.384 -1.629 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962615092 664380510 /nfs/dbraw/zinc/38/05/10/664380510.db2.gz KEAIJEQJMKJCQT-RQJABVFESA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000962617721 664380571 /nfs/dbraw/zinc/38/05/71/664380571.db2.gz NNPXLVCJUSYDBN-UMNHJUIQSA-N 1 1 322.369 -1.932 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614924 664380590 /nfs/dbraw/zinc/38/05/90/664380590.db2.gz HZZPUNWCSMKXIA-IAZYJMLFSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(C(N)=O)c1 ZINC000962614924 664380595 /nfs/dbraw/zinc/38/05/95/664380595.db2.gz HZZPUNWCSMKXIA-IAZYJMLFSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1COCC2 ZINC000962668243 664381423 /nfs/dbraw/zinc/38/14/23/664381423.db2.gz QQICZYUCKKWBQC-JDICNCQASA-N 1 1 306.322 -1.107 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1COCC2 ZINC000962668243 664381427 /nfs/dbraw/zinc/38/14/27/664381427.db2.gz QQICZYUCKKWBQC-JDICNCQASA-N 1 1 306.322 -1.107 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC000962725038 664383623 /nfs/dbraw/zinc/38/36/23/664383623.db2.gz DHKABCJQBYUQMJ-DNJQJEMRSA-N 1 1 304.354 -1.628 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC000962725038 664383627 /nfs/dbraw/zinc/38/36/27/664383627.db2.gz DHKABCJQBYUQMJ-DNJQJEMRSA-N 1 1 304.354 -1.628 20 0 DAADMO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962769971 664384131 /nfs/dbraw/zinc/38/41/31/664384131.db2.gz FZGIYVOVPPAAOD-GDGBQDQQSA-N 1 1 308.342 -1.930 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCCC1=O ZINC000962758099 664384175 /nfs/dbraw/zinc/38/41/75/664384175.db2.gz VPIVMFQZQZHQRB-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCCC1=O ZINC000962758099 664384180 /nfs/dbraw/zinc/38/41/80/664384180.db2.gz VPIVMFQZQZHQRB-PUHVVEEASA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000962768215 664384192 /nfs/dbraw/zinc/38/41/92/664384192.db2.gz XCBJRGSKBNXNNT-XBWDGYHZSA-N 1 1 308.342 -2.196 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC000962808235 664384571 /nfs/dbraw/zinc/38/45/71/664384571.db2.gz SBBFAJBAPZBXPR-VWYCJHECSA-N 1 1 307.354 -1.195 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987358 664387294 /nfs/dbraw/zinc/38/72/94/664387294.db2.gz JTHRCYLQDNCYIV-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000962987358 664387298 /nfs/dbraw/zinc/38/72/98/664387298.db2.gz JTHRCYLQDNCYIV-GDGBQDQQSA-N 1 1 303.322 -1.674 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000963076398 664387928 /nfs/dbraw/zinc/38/79/28/664387928.db2.gz NPYGNQWHJQFIHS-VWYCJHECSA-N 1 1 312.370 -1.968 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000963305034 664389274 /nfs/dbraw/zinc/38/92/74/664389274.db2.gz YLAASRSYCVDHFY-VXGBXAGGSA-N 1 1 321.385 -1.139 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2O)C1 ZINC000963375528 664389301 /nfs/dbraw/zinc/38/93/01/664389301.db2.gz MACUILRQPMTLFC-MXWKQRLJSA-N 1 1 323.357 -2.687 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963392449 664389866 /nfs/dbraw/zinc/38/98/66/664389866.db2.gz DAOXGQQULGEMDC-AXFHLTTASA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963392449 664389870 /nfs/dbraw/zinc/38/98/70/664389870.db2.gz DAOXGQQULGEMDC-AXFHLTTASA-N 1 1 322.369 -1.634 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963392449 664389875 /nfs/dbraw/zinc/38/98/75/664389875.db2.gz DAOXGQQULGEMDC-AXFHLTTASA-N 1 1 322.369 -1.634 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ccon3)C[C@@H]2O)C1 ZINC000963398493 664389990 /nfs/dbraw/zinc/38/99/90/664389990.db2.gz YILSNPJYNIYVIA-UHTWSYAYSA-N 1 1 322.365 -1.143 20 0 DAADMO Cc1c[nH]c(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC000963383788 664390175 /nfs/dbraw/zinc/39/01/75/664390175.db2.gz VZOPWAMPZPCJPH-TUAOUCFPSA-N 1 1 321.381 -1.029 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)C1 ZINC000963383754 664390210 /nfs/dbraw/zinc/39/02/10/664390210.db2.gz VAGCODKMMGWTPL-UHTWSYAYSA-N 1 1 321.381 -1.408 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000963395546 664390354 /nfs/dbraw/zinc/39/03/54/664390354.db2.gz PKHVBINRRADFAD-GDPRMGEGSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CC(C)(C)O)C[C@@H]2O)C1 ZINC000963419808 664390443 /nfs/dbraw/zinc/39/04/43/664390443.db2.gz KBXMXGMKGBDKQE-TUAOUCFPSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]2O)C1 ZINC000963420308 664390465 /nfs/dbraw/zinc/39/04/65/664390465.db2.gz KYMKWLAOISNTTN-TUAOUCFPSA-N 1 1 321.381 -1.408 20 0 DAADMO Cn1cnc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC000963420455 664390490 /nfs/dbraw/zinc/39/04/90/664390490.db2.gz MIZGIYLJDNSUEP-MXWKQRLJSA-N 1 1 322.369 -1.932 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2O)C1 ZINC000963422282 664390742 /nfs/dbraw/zinc/39/07/42/664390742.db2.gz VXCGLOTZYMGNMT-AEJSXWLSSA-N 1 1 308.342 -1.942 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2O)C1 ZINC000963420487 664390767 /nfs/dbraw/zinc/39/07/67/664390767.db2.gz MQVMAFXIKTXBLR-MXWKQRLJSA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2O)C1 ZINC000963420485 664390995 /nfs/dbraw/zinc/39/09/95/664390995.db2.gz MQVMAFXIKTXBLR-AXFHLTTASA-N 1 1 323.357 -2.687 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC000964027906 664398289 /nfs/dbraw/zinc/39/82/89/664398289.db2.gz WFASMEMLOIADDP-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120872 664401075 /nfs/dbraw/zinc/40/10/75/664401075.db2.gz NZLHCGRLDFZNGG-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1cn[nH]n1 ZINC000964120872 664401077 /nfs/dbraw/zinc/40/10/77/664401077.db2.gz NZLHCGRLDFZNGG-ZYHUDNBSSA-N 1 1 322.369 -1.144 20 0 DAADMO COCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000964144476 664402123 /nfs/dbraw/zinc/40/21/23/664402123.db2.gz LEQALKGFXMMVPS-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO COCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000964144476 664402126 /nfs/dbraw/zinc/40/21/26/664402126.db2.gz LEQALKGFXMMVPS-RYUDHWBXSA-N 1 1 315.370 -1.693 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)c2cn[nH]n2)C1 ZINC000964194969 664403904 /nfs/dbraw/zinc/40/39/04/664403904.db2.gz ZTLZFBPFQNEDHI-MNOVXSKESA-N 1 1 322.369 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)C(N)=O ZINC000964250981 664405428 /nfs/dbraw/zinc/40/54/28/664405428.db2.gz SPZIXQZZJNSFET-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)c2cnon2)C1 ZINC000964318095 664409457 /nfs/dbraw/zinc/40/94/57/664409457.db2.gz FBKYGZJBCRVKBP-MNOVXSKESA-N 1 1 323.353 -1.022 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964960503 664413631 /nfs/dbraw/zinc/41/36/31/664413631.db2.gz HMVFEDKDRAQANQ-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964960503 664413633 /nfs/dbraw/zinc/41/36/33/664413633.db2.gz HMVFEDKDRAQANQ-QWRGUYRKSA-N 1 1 309.374 -1.412 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964965464 664413636 /nfs/dbraw/zinc/41/36/36/664413636.db2.gz NXLQRSKUVPBJIC-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964965464 664413637 /nfs/dbraw/zinc/41/36/37/664413637.db2.gz NXLQRSKUVPBJIC-PWSUYJOCSA-N 1 1 321.385 -1.222 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000965005136 664414348 /nfs/dbraw/zinc/41/43/48/664414348.db2.gz MHIQSKREDHJOAQ-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)C1 ZINC000965005136 664414350 /nfs/dbraw/zinc/41/43/50/664414350.db2.gz MHIQSKREDHJOAQ-UTLUCORTSA-N 1 1 314.342 -3.120 20 0 DAADMO C[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964972671 664414362 /nfs/dbraw/zinc/41/43/62/664414362.db2.gz ZHSVJUCADSKTGV-RYUDHWBXSA-N 1 1 319.373 -1.209 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000965332611 664419892 /nfs/dbraw/zinc/41/98/92/664419892.db2.gz KPKHGPLXQPOMAA-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CC(N)=O)CCO2 ZINC000965337982 664420332 /nfs/dbraw/zinc/42/03/32/664420332.db2.gz SOYPXXDBVRXBTL-NSHDSACASA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1)C1CCC1 ZINC000965405429 664421407 /nfs/dbraw/zinc/42/14/07/664421407.db2.gz XTROKEGGBISBII-UHFFFAOYSA-N 1 1 324.381 -1.604 20 0 DAADMO NC(=O)C(=O)N1CCOC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000965464218 664423237 /nfs/dbraw/zinc/42/32/37/664423237.db2.gz HUJYYCGVFOYTIZ-UHFFFAOYSA-N 1 1 321.337 -1.733 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965464225 664423487 /nfs/dbraw/zinc/42/34/87/664423487.db2.gz IHRCKEFAKVLSMU-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(C(=O)C(N)=O)CCO3)C1 ZINC000965473305 664424258 /nfs/dbraw/zinc/42/42/58/664424258.db2.gz RFRWJGQKEIIWGM-SNVBAGLBSA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCOC2)[C@@H](O)C1 ZINC000965504324 664424569 /nfs/dbraw/zinc/42/45/69/664424569.db2.gz BHJWMHKFJKMBFS-LOWDOPEQSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965492800 664424841 /nfs/dbraw/zinc/42/48/41/664424841.db2.gz ULYCKPVWUJSGRN-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO CC[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001037805673 664424862 /nfs/dbraw/zinc/42/48/62/664424862.db2.gz DPWLAMSODZVTSV-ZJUUUORDSA-N 1 1 309.374 -1.198 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC3(CN(C(=O)C(N)=O)C3)O2)C1 ZINC000965544833 664425580 /nfs/dbraw/zinc/42/55/80/664425580.db2.gz UQLBZXFHQVQYRG-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965701869 664429288 /nfs/dbraw/zinc/42/92/88/664429288.db2.gz LNWVNEXPQPJTMO-UWVGGRQHSA-N 1 1 310.354 -2.091 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965734116 664429989 /nfs/dbraw/zinc/42/99/89/664429989.db2.gz SQMOWLKJIBPEIQ-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965753294 664430579 /nfs/dbraw/zinc/43/05/79/664430579.db2.gz IFYUCTWGJPFMES-MNOVXSKESA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965753292 664430732 /nfs/dbraw/zinc/43/07/32/664430732.db2.gz IFYUCTWGJPFMES-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965789687 664432200 /nfs/dbraw/zinc/43/22/00/664432200.db2.gz LFEYKVIWANOSBI-QWRGUYRKSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC000965789684 664432292 /nfs/dbraw/zinc/43/22/92/664432292.db2.gz LFEYKVIWANOSBI-MNOVXSKESA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965799303 664433679 /nfs/dbraw/zinc/43/36/79/664433679.db2.gz WALWUFVQOCJWGZ-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[C@@H](NC(=O)C(N)=O)CO3)C1 ZINC000965803689 664434510 /nfs/dbraw/zinc/43/45/10/664434510.db2.gz GZHVIDXTEQUNIG-VHSXEESVSA-N 1 1 310.354 -2.091 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC000965807848 664434754 /nfs/dbraw/zinc/43/47/54/664434754.db2.gz UXWONJKVOXNHAO-SNVBAGLBSA-N 1 1 321.337 -1.837 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC3(C2)C[C@H](NC(=O)C(N)=O)CO3)CC[N@H+]1C ZINC000965808972 664434908 /nfs/dbraw/zinc/43/49/08/664434908.db2.gz YLCFTZKJPUALPD-OUAUKWLOSA-N 1 1 324.381 -1.702 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC000965821091 664435572 /nfs/dbraw/zinc/43/55/72/664435572.db2.gz UNFLJRIVAVRWBG-GHMZBOCLSA-N 1 1 324.381 -1.700 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(CN(C(=O)C(N)=O)C2)C1 ZINC000965819784 664435662 /nfs/dbraw/zinc/43/56/62/664435662.db2.gz USPGDYUSYVQVAW-GHMZBOCLSA-N 1 1 324.381 -1.558 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC000966121763 664438619 /nfs/dbraw/zinc/43/86/19/664438619.db2.gz ZPXGLCWSCPIANF-FVCCEPFGSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966132600 664438747 /nfs/dbraw/zinc/43/87/47/664438747.db2.gz MPUVSIFPMBETIQ-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966132600 664438750 /nfs/dbraw/zinc/43/87/50/664438750.db2.gz MPUVSIFPMBETIQ-JQWIXIFHSA-N 1 1 321.385 -1.222 20 0 DAADMO C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966164725 664440605 /nfs/dbraw/zinc/44/06/05/664440605.db2.gz DCXOJISPFBRXRC-WDEREUQCSA-N 1 1 324.385 -1.414 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000966170227 664440613 /nfs/dbraw/zinc/44/06/13/664440613.db2.gz WQHUVRKGQARHOQ-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO NC(=O)C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC000966368066 664442406 /nfs/dbraw/zinc/44/24/06/664442406.db2.gz LOHDEUGTIPUZPA-UTLUCORTSA-N 1 1 321.337 -2.066 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966892029 664453407 /nfs/dbraw/zinc/45/34/07/664453407.db2.gz BODUJZHOUPBJJS-SNVBAGLBSA-N 1 1 320.361 -1.540 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1)c1nnnn1C ZINC000966888974 664453635 /nfs/dbraw/zinc/45/36/35/664453635.db2.gz IPVKCKDZFHMCQY-DTWKUNHWSA-N 1 1 306.334 -1.852 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1)c1nncn1C ZINC000966888710 664453666 /nfs/dbraw/zinc/45/36/66/664453666.db2.gz FDOWQMXBCLBUPZ-VHSXEESVSA-N 1 1 305.346 -1.247 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cn3cnnn3)C2)n1 ZINC000966892549 664453705 /nfs/dbraw/zinc/45/37/05/664453705.db2.gz NIGMGAYQRGFWMF-LLVKDONJSA-N 1 1 319.373 -1.016 20 0 DAADMO CC(C)n1nnnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966888950 664453730 /nfs/dbraw/zinc/45/37/30/664453730.db2.gz ICKPVLOEJCIZJN-SNVBAGLBSA-N 1 1 320.361 -1.369 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035582 664454201 /nfs/dbraw/zinc/45/42/01/664454201.db2.gz URVZZFLHTNVMEW-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000967035582 664454204 /nfs/dbraw/zinc/45/42/04/664454204.db2.gz URVZZFLHTNVMEW-GHMZBOCLSA-N 1 1 324.385 -1.846 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000967212757 664457649 /nfs/dbraw/zinc/45/76/49/664457649.db2.gz QHZCYKWGKVHMKG-NSHDSACASA-N 1 1 323.397 -2.222 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(C(=O)C(N)=O)C3)CC2)C1 ZINC000967212721 664457879 /nfs/dbraw/zinc/45/78/79/664457879.db2.gz QHZCYKWGKVHMKG-LLVKDONJSA-N 1 1 323.397 -2.222 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413611 664462245 /nfs/dbraw/zinc/46/22/45/664462245.db2.gz CKUFQINGNKKRTB-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC000967413611 664462246 /nfs/dbraw/zinc/46/22/46/664462246.db2.gz CKUFQINGNKKRTB-GHMZBOCLSA-N 1 1 321.381 -1.034 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967717411 664465310 /nfs/dbraw/zinc/46/53/10/664465310.db2.gz AUNSSEIEWUCLTK-OLZOCXBDSA-N 1 1 312.414 -1.373 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC000967766925 664465712 /nfs/dbraw/zinc/46/57/12/664465712.db2.gz HIHHGIBVBWBEFK-IVZWLZJFSA-N 1 1 307.358 -1.260 20 0 DAADMO C[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000967894574 664466590 /nfs/dbraw/zinc/46/65/90/664466590.db2.gz JBWBGWOOWIUDTJ-GHMZBOCLSA-N 1 1 319.373 -1.058 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000967983439 664468678 /nfs/dbraw/zinc/46/86/78/664468678.db2.gz QWOKMLUZAPCVHH-JQWIXIFHSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000967983438 664468893 /nfs/dbraw/zinc/46/88/93/664468893.db2.gz QWOKMLUZAPCVHH-CMPLNLGQSA-N 1 1 323.397 -1.321 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000968016614 664468951 /nfs/dbraw/zinc/46/89/51/664468951.db2.gz LWZQTAJPINNDPT-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CN(C(=O)C(N)=O)C1 ZINC000968016614 664468955 /nfs/dbraw/zinc/46/89/55/664468955.db2.gz LWZQTAJPINNDPT-NSHDSACASA-N 1 1 312.370 -1.748 20 0 DAADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cn2cnnn2)C1 ZINC000967971382 664469003 /nfs/dbraw/zinc/46/90/03/664469003.db2.gz FKVPHPCSORHKRB-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CCN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CN(C(=O)C(N)=O)C1 ZINC000968031369 664469563 /nfs/dbraw/zinc/46/95/63/664469563.db2.gz MZXVAUHORGXVIW-ZYHUDNBSSA-N 1 1 324.381 -1.606 20 0 DAADMO NC(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000968125213 664470286 /nfs/dbraw/zinc/47/02/86/664470286.db2.gz VUVYPLISTDIRFR-SECBINFHSA-N 1 1 308.342 -1.626 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000968248170 664473274 /nfs/dbraw/zinc/47/32/74/664473274.db2.gz MCOFIWZFRGPDFD-LLVKDONJSA-N 1 1 321.385 -1.023 20 0 DAADMO CCN(C(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000968248171 664473585 /nfs/dbraw/zinc/47/35/85/664473585.db2.gz MCOFIWZFRGPDFD-NSHDSACASA-N 1 1 321.385 -1.023 20 0 DAADMO Cn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000968299489 664473854 /nfs/dbraw/zinc/47/38/54/664473854.db2.gz DYRMRDSSSVNSCA-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO CCN(C(=O)[C@H]1CNC(=O)N1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000968304328 664475158 /nfs/dbraw/zinc/47/51/58/664475158.db2.gz UQNIXNQLSGLLRT-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)O1 ZINC000968411074 664476500 /nfs/dbraw/zinc/47/65/00/664476500.db2.gz PDQIBAGXHUVAHV-DOLQZWNJSA-N 1 1 321.324 -1.342 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@@H]2O)O1 ZINC000968411074 664476503 /nfs/dbraw/zinc/47/65/03/664476503.db2.gz PDQIBAGXHUVAHV-DOLQZWNJSA-N 1 1 321.324 -1.342 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416747 664476655 /nfs/dbraw/zinc/47/66/55/664476655.db2.gz ARLWQXPJOYPNIT-GXSJLCMTSA-N 1 1 324.381 -1.388 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000968416747 664476659 /nfs/dbraw/zinc/47/66/59/664476659.db2.gz ARLWQXPJOYPNIT-GXSJLCMTSA-N 1 1 324.381 -1.388 20 0 DAADMO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC000968453177 664477363 /nfs/dbraw/zinc/47/73/63/664477363.db2.gz CRZOBYDMHAYJQQ-DTWKUNHWSA-N 1 1 321.345 -1.541 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000968454084 664477374 /nfs/dbraw/zinc/47/73/74/664477374.db2.gz ZMRGYCQVBCSZGW-SNVBAGLBSA-N 1 1 320.357 -1.014 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)c1nnnn1C ZINC000968453178 664478012 /nfs/dbraw/zinc/47/80/12/664478012.db2.gz CRZOBYDMHAYJQQ-RKDXNWHRSA-N 1 1 321.345 -1.541 20 0 DAADMO Cn1ncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)n1 ZINC000968459635 664478456 /nfs/dbraw/zinc/47/84/56/664478456.db2.gz KDWCWTIDPMZUMW-YPMHNXCESA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC000968462164 664478714 /nfs/dbraw/zinc/47/87/14/664478714.db2.gz CVPWLZHCIYWJJH-VXGBXAGGSA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000968627017 664481311 /nfs/dbraw/zinc/48/13/11/664481311.db2.gz GBEZJDIQPWLXSK-QWRGUYRKSA-N 1 1 312.370 -1.301 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615577 664481444 /nfs/dbraw/zinc/48/14/44/664481444.db2.gz ZBRSRKGSCQTHQX-CMPLNLGQSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC000968615577 664481446 /nfs/dbraw/zinc/48/14/46/664481446.db2.gz ZBRSRKGSCQTHQX-CMPLNLGQSA-N 1 1 321.381 -1.034 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631306 664481552 /nfs/dbraw/zinc/48/15/52/664481552.db2.gz GHMXJJYWFJNLRB-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631306 664481554 /nfs/dbraw/zinc/48/15/54/664481554.db2.gz GHMXJJYWFJNLRB-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC000968627016 664481576 /nfs/dbraw/zinc/48/15/76/664481576.db2.gz GBEZJDIQPWLXSK-MNOVXSKESA-N 1 1 312.370 -1.301 20 0 DAADMO C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627885 664481659 /nfs/dbraw/zinc/48/16/59/664481659.db2.gz PFRRPUOQGSXBCB-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631308 664481681 /nfs/dbraw/zinc/48/16/81/664481681.db2.gz GHMXJJYWFJNLRB-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC000968631308 664481684 /nfs/dbraw/zinc/48/16/84/664481684.db2.gz GHMXJJYWFJNLRB-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000968620981 664481689 /nfs/dbraw/zinc/48/16/89/664481689.db2.gz LZEXEAYJVNFCAX-UTUOFQBUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000968681213 664482145 /nfs/dbraw/zinc/48/21/45/664482145.db2.gz HWHPLBDFZPMDKA-NXEZZACHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000968681214 664482178 /nfs/dbraw/zinc/48/21/78/664482178.db2.gz HWHPLBDFZPMDKA-UWVGGRQHSA-N 1 1 310.358 -1.804 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000968696211 664484181 /nfs/dbraw/zinc/48/41/81/664484181.db2.gz LEFNVZBZXTVVBF-UTUOFQBUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968696211 664484184 /nfs/dbraw/zinc/48/41/84/664484184.db2.gz LEFNVZBZXTVVBF-UTUOFQBUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968696211 664484186 /nfs/dbraw/zinc/48/41/86/664484186.db2.gz LEFNVZBZXTVVBF-UTUOFQBUSA-N 1 1 322.369 -1.410 20 0 DAADMO C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1)C1CC1 ZINC000968700410 664484217 /nfs/dbraw/zinc/48/42/17/664484217.db2.gz CKEQKCRHSSZDDO-WOPDTQHZSA-N 1 1 322.369 -1.554 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC000968698497 664484594 /nfs/dbraw/zinc/48/45/94/664484594.db2.gz WSWXGOUFWMHSGP-JLLWLGSASA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968698497 664484596 /nfs/dbraw/zinc/48/45/96/664484596.db2.gz WSWXGOUFWMHSGP-JLLWLGSASA-N 1 1 322.369 -1.410 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968698497 664484599 /nfs/dbraw/zinc/48/45/99/664484599.db2.gz WSWXGOUFWMHSGP-JLLWLGSASA-N 1 1 322.369 -1.410 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1 ZINC000968704904 664485014 /nfs/dbraw/zinc/48/50/14/664485014.db2.gz WLTVZWCOICUNOR-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1 ZINC000968704904 664485017 /nfs/dbraw/zinc/48/50/17/664485017.db2.gz WLTVZWCOICUNOR-GRYCIOLGSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1 ZINC000968704905 664485123 /nfs/dbraw/zinc/48/51/23/664485123.db2.gz WLTVZWCOICUNOR-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)C1 ZINC000968704905 664485125 /nfs/dbraw/zinc/48/51/25/664485125.db2.gz WLTVZWCOICUNOR-TUAOUCFPSA-N 1 1 324.381 -1.606 20 0 DAADMO Cn1cnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000968845873 664487095 /nfs/dbraw/zinc/48/70/95/664487095.db2.gz VSVYKQBOIBLNSP-GHMZBOCLSA-N 1 1 306.370 -1.016 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968929519 664487889 /nfs/dbraw/zinc/48/78/89/664487889.db2.gz JDLPYTWUXSIGCT-LLVKDONJSA-N 1 1 323.353 -1.073 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)n1 ZINC000968886155 664488077 /nfs/dbraw/zinc/48/80/77/664488077.db2.gz UOAUOUQICFVAHY-WCQGTBRESA-N 1 1 322.369 -1.932 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968929251 664488081 /nfs/dbraw/zinc/48/80/81/664488081.db2.gz CBDBLVGZSIAWDF-SNVBAGLBSA-N 1 1 323.357 -2.241 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1O ZINC000968946399 664488598 /nfs/dbraw/zinc/48/85/98/664488598.db2.gz GOUUNYIOSROXTL-XQQFMLRXSA-N 1 1 322.365 -1.084 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)NC1=O ZINC000968982940 664488852 /nfs/dbraw/zinc/48/88/52/664488852.db2.gz WYKVIXXOWFGZIJ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)NC1=O ZINC000968982940 664488853 /nfs/dbraw/zinc/48/88/53/664488853.db2.gz WYKVIXXOWFGZIJ-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000968989263 664488859 /nfs/dbraw/zinc/48/88/59/664488859.db2.gz GWPYFYINHMDWIM-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)NC1=O ZINC000968982942 664488959 /nfs/dbraw/zinc/48/89/59/664488959.db2.gz WYKVIXXOWFGZIJ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)NC1=O ZINC000968982942 664488961 /nfs/dbraw/zinc/48/89/61/664488961.db2.gz WYKVIXXOWFGZIJ-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)nn1 ZINC000968964462 664489084 /nfs/dbraw/zinc/48/90/84/664489084.db2.gz CZJZZMNTQTUZJD-SNVBAGLBSA-N 1 1 317.353 -1.087 20 0 DAADMO CNC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000969008480 664489406 /nfs/dbraw/zinc/48/94/06/664489406.db2.gz SGVWOKRGSLJMGE-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO CNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC000969008480 664489408 /nfs/dbraw/zinc/48/94/08/664489408.db2.gz SGVWOKRGSLJMGE-QWRGUYRKSA-N 1 1 311.386 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2O)C1 ZINC000969068233 664489742 /nfs/dbraw/zinc/48/97/42/664489742.db2.gz XUHNYTLHBLZBNU-MXWKQRLJSA-N 1 1 312.370 -2.109 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC000969076527 664489798 /nfs/dbraw/zinc/48/97/98/664489798.db2.gz AGROAVNKOMYKHX-YGRLFVJLSA-N 1 1 321.385 -1.183 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@@H]2O)C1 ZINC000969069988 664489817 /nfs/dbraw/zinc/48/98/17/664489817.db2.gz MKUGCLDMXTTXOO-JLLWLGSASA-N 1 1 322.369 -1.552 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC000969076526 664490008 /nfs/dbraw/zinc/49/00/08/664490008.db2.gz AGROAVNKOMYKHX-QMTHXVAHSA-N 1 1 321.385 -1.183 20 0 DAADMO C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001006633398 664491110 /nfs/dbraw/zinc/49/11/10/664491110.db2.gz UVTCSXIHIKZJHN-NXEZZACHSA-N 1 1 321.385 -1.262 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCC(=O)N1 ZINC001006936424 664493622 /nfs/dbraw/zinc/49/36/22/664493622.db2.gz CRRYLGZACACBCM-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007168698 664493704 /nfs/dbraw/zinc/49/37/04/664493704.db2.gz SEINRADOLVPWLZ-LLVKDONJSA-N 1 1 320.357 -1.144 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001007168701 664493712 /nfs/dbraw/zinc/49/37/12/664493712.db2.gz SEINRADOLVPWLZ-NSHDSACASA-N 1 1 320.357 -1.144 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038610448 664493744 /nfs/dbraw/zinc/49/37/44/664493744.db2.gz KLJLJVLANKBSRH-GHMZBOCLSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038610448 664493747 /nfs/dbraw/zinc/49/37/47/664493747.db2.gz KLJLJVLANKBSRH-GHMZBOCLSA-N 1 1 320.357 -1.728 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007349192 664494373 /nfs/dbraw/zinc/49/43/73/664494373.db2.gz LYLOEDQDVLHOFM-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007349192 664494376 /nfs/dbraw/zinc/49/43/76/664494376.db2.gz LYLOEDQDVLHOFM-QWRGUYRKSA-N 1 1 309.374 -1.270 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007370275 664494432 /nfs/dbraw/zinc/49/44/32/664494432.db2.gz YEZQEQIJMJUMQC-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007370276 664494528 /nfs/dbraw/zinc/49/45/28/664494528.db2.gz YEZQEQIJMJUMQC-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007370274 664494543 /nfs/dbraw/zinc/49/45/43/664494543.db2.gz YEZQEQIJMJUMQC-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001007339883 664494597 /nfs/dbraw/zinc/49/45/97/664494597.db2.gz SZBFWPAUQOXITJ-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001007339883 664494600 /nfs/dbraw/zinc/49/46/00/664494600.db2.gz SZBFWPAUQOXITJ-LLVKDONJSA-N 1 1 307.358 -1.514 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007373275 664494933 /nfs/dbraw/zinc/49/49/33/664494933.db2.gz PZRLGVOJOQLUEY-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001007373272 664494949 /nfs/dbraw/zinc/49/49/49/664494949.db2.gz PZRLGVOJOQLUEY-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007464768 664495316 /nfs/dbraw/zinc/49/53/16/664495316.db2.gz OJMIXYZIPCZTPD-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001007505185 664495751 /nfs/dbraw/zinc/49/57/51/664495751.db2.gz VHYCXGYOFYXCBL-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001007505185 664495752 /nfs/dbraw/zinc/49/57/52/664495752.db2.gz VHYCXGYOFYXCBL-VXGBXAGGSA-N 1 1 324.381 -1.686 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(N)=O)CCO2 ZINC001007621987 664495963 /nfs/dbraw/zinc/49/59/63/664495963.db2.gz XIWLNAQEQVZIHZ-NHYWBVRUSA-N 1 1 324.381 -1.604 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001007704247 664496848 /nfs/dbraw/zinc/49/68/48/664496848.db2.gz JTYMEFXKSVEOKI-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)c1=O ZINC001007704247 664496849 /nfs/dbraw/zinc/49/68/49/664496849.db2.gz JTYMEFXKSVEOKI-QWRGUYRKSA-N 1 1 322.369 -1.949 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007707076 664497397 /nfs/dbraw/zinc/49/73/97/664497397.db2.gz RYWJKTQUNZNJAH-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007707076 664497399 /nfs/dbraw/zinc/49/73/99/664497399.db2.gz RYWJKTQUNZNJAH-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776935 664497687 /nfs/dbraw/zinc/49/76/87/664497687.db2.gz RBPRXBMSCREXLZ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001007776935 664497689 /nfs/dbraw/zinc/49/76/89/664497689.db2.gz RBPRXBMSCREXLZ-WDEREUQCSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001007774758 664498030 /nfs/dbraw/zinc/49/80/30/664498030.db2.gz KASGKHSMUQYSNZ-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001007774758 664498033 /nfs/dbraw/zinc/49/80/33/664498033.db2.gz KASGKHSMUQYSNZ-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001008165645 664498965 /nfs/dbraw/zinc/49/89/65/664498965.db2.gz XUFGWFCSNDFOAV-RYUDHWBXSA-N 1 1 321.385 -1.118 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)C2)NC1=O ZINC001008165639 664499191 /nfs/dbraw/zinc/49/91/91/664499191.db2.gz XUFGWFCSNDFOAV-NWDGAFQWSA-N 1 1 321.385 -1.118 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCn2cncn2)C1)[C@@H]1CCNC1=O ZINC001008178491 664499564 /nfs/dbraw/zinc/49/95/64/664499564.db2.gz PRFJVBFOMATGPH-NWDGAFQWSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008183208 664499604 /nfs/dbraw/zinc/49/96/04/664499604.db2.gz NCVYUSDIFMVSNC-NWDGAFQWSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008183208 664499605 /nfs/dbraw/zinc/49/96/05/664499605.db2.gz NCVYUSDIFMVSNC-NWDGAFQWSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCNC1=O ZINC001008178570 664499739 /nfs/dbraw/zinc/49/97/39/664499739.db2.gz RIDQINQAJJSXNW-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176380 664499787 /nfs/dbraw/zinc/49/97/87/664499787.db2.gz MQLYIAHGVWTBLV-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001008176380 664499791 /nfs/dbraw/zinc/49/97/91/664499791.db2.gz MQLYIAHGVWTBLV-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001008183209 664499855 /nfs/dbraw/zinc/49/98/55/664499855.db2.gz NCVYUSDIFMVSNC-RYUDHWBXSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001008183209 664499856 /nfs/dbraw/zinc/49/98/56/664499856.db2.gz NCVYUSDIFMVSNC-RYUDHWBXSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001008183210 664499882 /nfs/dbraw/zinc/49/98/82/664499882.db2.gz NCVYUSDIFMVSNC-VXGBXAGGSA-N 1 1 323.397 -2.113 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001008183210 664499883 /nfs/dbraw/zinc/49/98/83/664499883.db2.gz NCVYUSDIFMVSNC-VXGBXAGGSA-N 1 1 323.397 -2.113 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)C2)n1 ZINC001008230961 664500417 /nfs/dbraw/zinc/50/04/17/664500417.db2.gz NFPOUUUXYJTJLH-SNVBAGLBSA-N 1 1 305.346 -1.304 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)C2)n1 ZINC001008230961 664500419 /nfs/dbraw/zinc/50/04/19/664500419.db2.gz NFPOUUUXYJTJLH-SNVBAGLBSA-N 1 1 305.346 -1.304 20 0 DAADMO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377693 664501425 /nfs/dbraw/zinc/50/14/25/664501425.db2.gz VGEDNGVQQRJKIA-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377693 664501428 /nfs/dbraw/zinc/50/14/28/664501428.db2.gz VGEDNGVQQRJKIA-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CNC(=O)N1 ZINC001008372919 664501790 /nfs/dbraw/zinc/50/17/90/664501790.db2.gz KTSSZFOQBGICQH-QWRGUYRKSA-N 1 1 324.385 -1.726 20 0 DAADMO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377688 664501891 /nfs/dbraw/zinc/50/18/91/664501891.db2.gz VGEDNGVQQRJKIA-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1)N1CCCC1 ZINC001008377688 664501897 /nfs/dbraw/zinc/50/18/97/664501897.db2.gz VGEDNGVQQRJKIA-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001008562407 664503578 /nfs/dbraw/zinc/50/35/78/664503578.db2.gz ZETMAHVNRHLROU-UTUOFQBUSA-N 1 1 323.397 -1.286 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1=O ZINC001008726114 664503958 /nfs/dbraw/zinc/50/39/58/664503958.db2.gz MMMVMKXIJBJFRX-SECBINFHSA-N 1 1 312.326 -2.020 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@H+](CCF)C2)C1=O ZINC001008727457 664504025 /nfs/dbraw/zinc/50/40/25/664504025.db2.gz PPLJZNRNEYFDPC-VIFPVBQESA-N 1 1 314.317 -1.043 20 0 DAADMO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1=O ZINC001008727457 664504028 /nfs/dbraw/zinc/50/40/28/664504028.db2.gz PPLJZNRNEYFDPC-VIFPVBQESA-N 1 1 314.317 -1.043 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846629 664504267 /nfs/dbraw/zinc/50/42/67/664504267.db2.gz FBZPQQYXZSMPOX-QWRGUYRKSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846629 664504269 /nfs/dbraw/zinc/50/42/69/664504269.db2.gz FBZPQQYXZSMPOX-QWRGUYRKSA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846626 664504350 /nfs/dbraw/zinc/50/43/50/664504350.db2.gz FBZPQQYXZSMPOX-MNOVXSKESA-N 1 1 324.381 -1.116 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001008846626 664504353 /nfs/dbraw/zinc/50/43/53/664504353.db2.gz FBZPQQYXZSMPOX-MNOVXSKESA-N 1 1 324.381 -1.116 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)S1(=O)=O ZINC001008840584 664504391 /nfs/dbraw/zinc/50/43/91/664504391.db2.gz NWUSHRQBGSYRAZ-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)S1(=O)=O ZINC001008840584 664504393 /nfs/dbraw/zinc/50/43/93/664504393.db2.gz NWUSHRQBGSYRAZ-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009105556 664505369 /nfs/dbraw/zinc/50/53/69/664505369.db2.gz QPISBBJKNLTFCU-QWRGUYRKSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009105555 664505431 /nfs/dbraw/zinc/50/54/31/664505431.db2.gz QPISBBJKNLTFCU-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(=O)n2[nH]cnc2n1 ZINC001009206912 664505968 /nfs/dbraw/zinc/50/59/68/664505968.db2.gz ZRPDSLFTBRJQRO-SNVBAGLBSA-N 1 1 320.353 -1.006 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009188161 664506053 /nfs/dbraw/zinc/50/60/53/664506053.db2.gz MLYHGZFHNVCACX-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009188169 664506103 /nfs/dbraw/zinc/50/61/03/664506103.db2.gz MLYHGZFHNVCACX-QWRGUYRKSA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC001009204795 664506220 /nfs/dbraw/zinc/50/62/20/664506220.db2.gz OCMXXNZXHXCISW-PZWNZHSQSA-N 1 1 324.381 -1.989 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC001009204795 664506221 /nfs/dbraw/zinc/50/62/21/664506221.db2.gz OCMXXNZXHXCISW-PZWNZHSQSA-N 1 1 324.381 -1.989 20 0 DAADMO O=C(N[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCC(=O)N1 ZINC001009261941 664506604 /nfs/dbraw/zinc/50/66/04/664506604.db2.gz CRRYLGZACACBCM-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496149 664508525 /nfs/dbraw/zinc/50/85/25/664508525.db2.gz NSRCUXUWWXJYOI-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009496149 664508528 /nfs/dbraw/zinc/50/85/28/664508528.db2.gz NSRCUXUWWXJYOI-RKDXNWHRSA-N 1 1 323.353 -1.446 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457639 664508568 /nfs/dbraw/zinc/50/85/68/664508568.db2.gz JKGRSEKVGPPOTO-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001009457639 664508572 /nfs/dbraw/zinc/50/85/72/664508572.db2.gz JKGRSEKVGPPOTO-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009764217 664511322 /nfs/dbraw/zinc/51/13/22/664511322.db2.gz SRYLFAAJNXUTRO-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001009764217 664511324 /nfs/dbraw/zinc/51/13/24/664511324.db2.gz SRYLFAAJNXUTRO-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001010077705 664512112 /nfs/dbraw/zinc/51/21/12/664512112.db2.gz IFULKOCSKIMJIA-LBPRGKRZSA-N 1 1 321.385 -1.124 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030644 664512222 /nfs/dbraw/zinc/51/22/22/664512222.db2.gz NDFUUUUEUGFFEW-NWDGAFQWSA-N 1 1 318.333 -1.071 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1)c1cc[n+]([O-])cc1 ZINC001010030644 664512224 /nfs/dbraw/zinc/51/22/24/664512224.db2.gz NDFUUUUEUGFFEW-NWDGAFQWSA-N 1 1 318.333 -1.071 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)n1 ZINC001010109262 664512807 /nfs/dbraw/zinc/51/28/07/664512807.db2.gz SEXGWKZKYIJYBK-GFCCVEGCSA-N 1 1 319.373 -1.228 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1COCCO1 ZINC001010281524 664514007 /nfs/dbraw/zinc/51/40/07/664514007.db2.gz VNBUWAUTFCBABJ-NWDGAFQWSA-N 1 1 312.370 -1.383 20 0 DAADMO Cn1cc(CN2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001010426389 664515564 /nfs/dbraw/zinc/51/55/64/664515564.db2.gz HOFZWVCVTLQHFQ-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001010426389 664515567 /nfs/dbraw/zinc/51/55/67/664515567.db2.gz HOFZWVCVTLQHFQ-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425128 664515661 /nfs/dbraw/zinc/51/56/61/664515661.db2.gz BGNAKFHIIVOJKK-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425128 664515663 /nfs/dbraw/zinc/51/56/63/664515663.db2.gz BGNAKFHIIVOJKK-DGCLKSJQSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426682 664515721 /nfs/dbraw/zinc/51/57/21/664515721.db2.gz IYAHZEXNDJCUOP-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1nncc1CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426682 664515723 /nfs/dbraw/zinc/51/57/23/664515723.db2.gz IYAHZEXNDJCUOP-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001010426387 664515745 /nfs/dbraw/zinc/51/57/45/664515745.db2.gz HOFZWVCVTLQHFQ-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001010426387 664515746 /nfs/dbraw/zinc/51/57/46/664515746.db2.gz HOFZWVCVTLQHFQ-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010416036 664515821 /nfs/dbraw/zinc/51/58/21/664515821.db2.gz MSOKWVHZDKRPSH-WDEREUQCSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001010416036 664515824 /nfs/dbraw/zinc/51/58/24/664515824.db2.gz MSOKWVHZDKRPSH-WDEREUQCSA-N 1 1 305.338 -1.052 20 0 DAADMO Cn1ncc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001010425129 664516006 /nfs/dbraw/zinc/51/60/06/664516006.db2.gz BGNAKFHIIVOJKK-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001010425129 664516008 /nfs/dbraw/zinc/51/60/08/664516008.db2.gz BGNAKFHIIVOJKK-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500705 664516160 /nfs/dbraw/zinc/51/61/60/664516160.db2.gz XGCJUOYEHQVLSF-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1)N1CCC1 ZINC001010500705 664516162 /nfs/dbraw/zinc/51/61/62/664516162.db2.gz XGCJUOYEHQVLSF-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1CCNC(=O)C1 ZINC001010537742 664516242 /nfs/dbraw/zinc/51/62/42/664516242.db2.gz LBNDYUDFFOPCEI-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001010667655 664517298 /nfs/dbraw/zinc/51/72/98/664517298.db2.gz IHYOYXHHZZHKTI-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001010667655 664517303 /nfs/dbraw/zinc/51/73/03/664517303.db2.gz IHYOYXHHZZHKTI-LLVKDONJSA-N 1 1 322.369 -1.203 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010687743 664517675 /nfs/dbraw/zinc/51/76/75/664517675.db2.gz FNUFFOSLACTNNV-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010687743 664517679 /nfs/dbraw/zinc/51/76/79/664517679.db2.gz FNUFFOSLACTNNV-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001010670408 664517750 /nfs/dbraw/zinc/51/77/50/664517750.db2.gz QDLVITYJCWHKAI-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001010670408 664517752 /nfs/dbraw/zinc/51/77/52/664517752.db2.gz QDLVITYJCWHKAI-QWHCGFSZSA-N 1 1 310.398 -1.212 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010696581 664518083 /nfs/dbraw/zinc/51/80/83/664518083.db2.gz HLYYMBZIYRRVQM-IUCAKERBSA-N 1 1 322.325 -2.021 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001010696581 664518085 /nfs/dbraw/zinc/51/80/85/664518085.db2.gz HLYYMBZIYRRVQM-IUCAKERBSA-N 1 1 322.325 -2.021 20 0 DAADMO CN1CCC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010696066 664518324 /nfs/dbraw/zinc/51/83/24/664518324.db2.gz GIWHLSRJXDEOSV-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697265 664518404 /nfs/dbraw/zinc/51/84/04/664518404.db2.gz JLIITVKCZUDJSB-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)C1=O ZINC001010697265 664518407 /nfs/dbraw/zinc/51/84/07/664518407.db2.gz JLIITVKCZUDJSB-GHMZBOCLSA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001010727407 664518704 /nfs/dbraw/zinc/51/87/04/664518704.db2.gz JJCUWQUJRZDFCC-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711608 664518725 /nfs/dbraw/zinc/51/87/25/664518725.db2.gz FMJLEURWMOVTEN-WCBMZHEXSA-N 1 1 320.353 -1.388 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1N ZINC001010711608 664518728 /nfs/dbraw/zinc/51/87/28/664518728.db2.gz FMJLEURWMOVTEN-WCBMZHEXSA-N 1 1 320.353 -1.388 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001010754310 664518909 /nfs/dbraw/zinc/51/89/09/664518909.db2.gz PVTNQMFDEHKWKG-ZDUSSCGKSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001010754310 664518911 /nfs/dbraw/zinc/51/89/11/664518911.db2.gz PVTNQMFDEHKWKG-ZDUSSCGKSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)C1 ZINC001010780208 664519298 /nfs/dbraw/zinc/51/92/98/664519298.db2.gz LBJXVEWIJOBMCF-CHWSQXEVSA-N 1 1 308.382 -1.114 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)C1 ZINC001010780208 664519300 /nfs/dbraw/zinc/51/93/00/664519300.db2.gz LBJXVEWIJOBMCF-CHWSQXEVSA-N 1 1 308.382 -1.114 20 0 DAADMO NC(=O)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001010804877 664519979 /nfs/dbraw/zinc/51/99/79/664519979.db2.gz WFKSMKLPBCCADZ-NEPJUHHUSA-N 1 1 324.381 -1.604 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010820464 664520272 /nfs/dbraw/zinc/52/02/72/664520272.db2.gz MDBBRGIFUWPJFL-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001010820464 664520273 /nfs/dbraw/zinc/52/02/73/664520273.db2.gz MDBBRGIFUWPJFL-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813957 664520527 /nfs/dbraw/zinc/52/05/27/664520527.db2.gz DXDGYKQXLUJTLW-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1)N1CCCC1 ZINC001010813957 664520528 /nfs/dbraw/zinc/52/05/28/664520528.db2.gz DXDGYKQXLUJTLW-MNOVXSKESA-N 1 1 310.354 -1.092 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001010817479 664520589 /nfs/dbraw/zinc/52/05/89/664520589.db2.gz RBTNPLHBRWREDM-ONGXEEELSA-N 1 1 310.354 -1.094 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1)C1CC1 ZINC001010817479 664520592 /nfs/dbraw/zinc/52/05/92/664520592.db2.gz RBTNPLHBRWREDM-ONGXEEELSA-N 1 1 310.354 -1.094 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001010878076 664521478 /nfs/dbraw/zinc/52/14/78/664521478.db2.gz ZIIFHPLCBLFXJV-NEPJUHHUSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001010878076 664521481 /nfs/dbraw/zinc/52/14/81/664521481.db2.gz ZIIFHPLCBLFXJV-NEPJUHHUSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001010876472 664521535 /nfs/dbraw/zinc/52/15/35/664521535.db2.gz ILNIVESCLUOMMC-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)C1 ZINC001010876472 664521537 /nfs/dbraw/zinc/52/15/37/664521537.db2.gz ILNIVESCLUOMMC-NWDGAFQWSA-N 1 1 324.381 -1.734 20 0 DAADMO Cc1nonc1C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001010874264 664521633 /nfs/dbraw/zinc/52/16/33/664521633.db2.gz BVLCOLPXKBXJRI-LLVKDONJSA-N 1 1 323.353 -1.007 20 0 DAADMO Cc1nonc1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001010874264 664521635 /nfs/dbraw/zinc/52/16/35/664521635.db2.gz BVLCOLPXKBXJRI-LLVKDONJSA-N 1 1 323.353 -1.007 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)nn1 ZINC001010873021 664521709 /nfs/dbraw/zinc/52/17/09/664521709.db2.gz BGVKFRAWPHNPMF-NWDGAFQWSA-N 1 1 319.369 -1.123 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001010878078 664521756 /nfs/dbraw/zinc/52/17/56/664521756.db2.gz ZIIFHPLCBLFXJV-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001010878078 664521758 /nfs/dbraw/zinc/52/17/58/664521758.db2.gz ZIIFHPLCBLFXJV-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001010876632 664521932 /nfs/dbraw/zinc/52/19/32/664521932.db2.gz KRRMGLRQIDREBB-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO Cn1ncc(C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001010876632 664521933 /nfs/dbraw/zinc/52/19/33/664521933.db2.gz KRRMGLRQIDREBB-GFCCVEGCSA-N 1 1 322.369 -1.570 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001010879596 664521937 /nfs/dbraw/zinc/52/19/37/664521937.db2.gz ZTNJFNGYEWZYEI-JTQLQIEISA-N 1 1 308.342 -1.580 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001010879596 664521939 /nfs/dbraw/zinc/52/19/39/664521939.db2.gz ZTNJFNGYEWZYEI-JTQLQIEISA-N 1 1 308.342 -1.580 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001010870830 664522148 /nfs/dbraw/zinc/52/21/48/664522148.db2.gz GIXPWOBVXDTYML-KBPBESRZSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CN=NC3=O)CC2)C1 ZINC001011029080 664523418 /nfs/dbraw/zinc/52/34/18/664523418.db2.gz GOYDBIPAUSOAJI-LLVKDONJSA-N 1 1 322.369 -1.394 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001011159013 664526284 /nfs/dbraw/zinc/52/62/84/664526284.db2.gz LJVDSHCVZASBLK-NSHDSACASA-N 1 1 306.370 -1.030 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001011159013 664526287 /nfs/dbraw/zinc/52/62/87/664526287.db2.gz LJVDSHCVZASBLK-NSHDSACASA-N 1 1 306.370 -1.030 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001011159013 664526292 /nfs/dbraw/zinc/52/62/92/664526292.db2.gz LJVDSHCVZASBLK-NSHDSACASA-N 1 1 306.370 -1.030 20 0 DAADMO Cn1nnc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001011162733 664526368 /nfs/dbraw/zinc/52/63/68/664526368.db2.gz UIJBRLHFRYETPQ-SNVBAGLBSA-N 1 1 307.358 -1.554 20 0 DAADMO CN1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)NC1=O ZINC001011162708 664526416 /nfs/dbraw/zinc/52/64/16/664526416.db2.gz SLUWZKNDQYIMMF-NEPJUHHUSA-N 1 1 323.397 -1.368 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001011164743 664526961 /nfs/dbraw/zinc/52/69/61/664526961.db2.gz XQTUXRGCKRIPTP-NSHDSACASA-N 1 1 320.353 -1.456 20 0 DAADMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001011263049 664528140 /nfs/dbraw/zinc/52/81/40/664528140.db2.gz HLKRMUGLCBCQGG-LLVKDONJSA-N 1 1 322.369 -2.031 20 0 DAADMO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001011263443 664528214 /nfs/dbraw/zinc/52/82/14/664528214.db2.gz PVUGIHDOQVGMBM-JTQLQIEISA-N 1 1 305.338 -1.083 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001011404823 664529443 /nfs/dbraw/zinc/52/94/43/664529443.db2.gz RKRYXILADHLEHF-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO O=C(CC[NH+]1CCOCC1)N1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001011443310 664529936 /nfs/dbraw/zinc/52/99/36/664529936.db2.gz GVHBEFFOVIYGQN-UHFFFAOYSA-N 1 1 322.369 -1.189 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001011646203 664532243 /nfs/dbraw/zinc/53/22/43/664532243.db2.gz NUDFDWNJLLABKV-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001011900254 664535507 /nfs/dbraw/zinc/53/55/07/664535507.db2.gz VYJAKLVHMGCNHN-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C(N)=O ZINC001012024637 664538312 /nfs/dbraw/zinc/53/83/12/664538312.db2.gz ZKGPXDGAUIYHAE-PSASIEDQSA-N 1 1 323.353 -1.059 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001012055302 664539017 /nfs/dbraw/zinc/53/90/17/664539017.db2.gz BUGBQWZIXYLNCH-NSHDSACASA-N 1 1 321.385 -1.164 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001012290990 664541599 /nfs/dbraw/zinc/54/15/99/664541599.db2.gz RBFGAITZFBNOLG-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2CC3(CC(NC(=O)C(N)=O)C3)C2)C1 ZINC001014000471 664551573 /nfs/dbraw/zinc/55/15/73/664551573.db2.gz CLLVPDQPUIGSAD-YMPWGHJTSA-N 1 1 308.382 -1.033 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395115 664553824 /nfs/dbraw/zinc/55/38/24/664553824.db2.gz HYYSPFIHSPOQPD-CMPLNLGQSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001014395115 664553827 /nfs/dbraw/zinc/55/38/27/664553827.db2.gz HYYSPFIHSPOQPD-CMPLNLGQSA-N 1 1 324.385 -1.008 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)cc1=O ZINC001014426156 664553942 /nfs/dbraw/zinc/55/39/42/664553942.db2.gz FUGIYTHAJBQFDK-GFCCVEGCSA-N 1 1 317.353 -1.238 20 0 DAADMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425300 664553996 /nfs/dbraw/zinc/55/39/96/664553996.db2.gz DNNCVKUOPLVGOP-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001014425300 664553997 /nfs/dbraw/zinc/55/39/97/664553997.db2.gz DNNCVKUOPLVGOP-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001014428083 664554333 /nfs/dbraw/zinc/55/43/33/664554333.db2.gz KAWYGMFSALJKSS-MNOVXSKESA-N 1 1 317.357 -1.357 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001014431768 664554552 /nfs/dbraw/zinc/55/45/52/664554552.db2.gz VEOKOJUUPPGVPE-VXGBXAGGSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001014431764 664554689 /nfs/dbraw/zinc/55/46/89/664554689.db2.gz VEOKOJUUPPGVPE-NWDGAFQWSA-N 1 1 321.385 -1.220 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001014446795 664554953 /nfs/dbraw/zinc/55/49/53/664554953.db2.gz JMWHONQLESBNKX-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501877 664555240 /nfs/dbraw/zinc/55/52/40/664555240.db2.gz LGZFDRSMYRQAHP-IUCAKERBSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501877 664555243 /nfs/dbraw/zinc/55/52/43/664555243.db2.gz LGZFDRSMYRQAHP-IUCAKERBSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501878 664555531 /nfs/dbraw/zinc/55/55/31/664555531.db2.gz LGZFDRSMYRQAHP-RKDXNWHRSA-N 1 1 323.357 -2.298 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014501878 664555534 /nfs/dbraw/zinc/55/55/34/664555534.db2.gz LGZFDRSMYRQAHP-RKDXNWHRSA-N 1 1 323.357 -2.298 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614070 664556248 /nfs/dbraw/zinc/55/62/48/664556248.db2.gz DIUXZDXBCPLJCT-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CC1=O ZINC001014614070 664556249 /nfs/dbraw/zinc/55/62/49/664556249.db2.gz DIUXZDXBCPLJCT-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001014643291 664556610 /nfs/dbraw/zinc/55/66/10/664556610.db2.gz NNFXZFRUOKQGKF-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739473 664557265 /nfs/dbraw/zinc/55/72/65/664557265.db2.gz FFIUUJAABJEABX-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739473 664557267 /nfs/dbraw/zinc/55/72/67/664557267.db2.gz FFIUUJAABJEABX-VXGBXAGGSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739470 664557345 /nfs/dbraw/zinc/55/73/45/664557345.db2.gz FFIUUJAABJEABX-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CN3CCOCC3=O)C2)C1=O ZINC001014739470 664557349 /nfs/dbraw/zinc/55/73/49/664557349.db2.gz FFIUUJAABJEABX-NEPJUHHUSA-N 1 1 324.381 -1.734 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)cc1=O ZINC001014792263 664557467 /nfs/dbraw/zinc/55/74/67/664557467.db2.gz JIDCSIRCEKADRK-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)C2)cc1=O ZINC001014792263 664557471 /nfs/dbraw/zinc/55/74/71/664557471.db2.gz JIDCSIRCEKADRK-NSHDSACASA-N 1 1 319.365 -1.183 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014780203 664557488 /nfs/dbraw/zinc/55/74/88/664557488.db2.gz QWVNRZKFHCUXMV-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014780203 664557491 /nfs/dbraw/zinc/55/74/91/664557491.db2.gz QWVNRZKFHCUXMV-SNVBAGLBSA-N 1 1 307.354 -1.327 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)cc1=O ZINC001014797855 664557499 /nfs/dbraw/zinc/55/74/99/664557499.db2.gz UOHWIYKEAQBAKY-LLVKDONJSA-N 1 1 317.353 -1.124 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001014768351 664557737 /nfs/dbraw/zinc/55/77/37/664557737.db2.gz CGTXQJJKVSDURF-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001014768351 664557739 /nfs/dbraw/zinc/55/77/39/664557739.db2.gz CGTXQJJKVSDURF-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001014784018 664557849 /nfs/dbraw/zinc/55/78/49/664557849.db2.gz HRIHQBPGVVYRDZ-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1=O ZINC001014784018 664557850 /nfs/dbraw/zinc/55/78/50/664557850.db2.gz HRIHQBPGVVYRDZ-MWLCHTKSSA-N 1 1 305.338 -1.527 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCCNC1=O ZINC001014826039 664558020 /nfs/dbraw/zinc/55/80/20/664558020.db2.gz ZQFVYUONPLGIIZ-RYUDHWBXSA-N 1 1 323.397 -1.272 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@H]1CCCNC1=O ZINC001014826037 664558139 /nfs/dbraw/zinc/55/81/39/664558139.db2.gz ZQFVYUONPLGIIZ-NEPJUHHUSA-N 1 1 323.397 -1.272 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937950 664558514 /nfs/dbraw/zinc/55/85/14/664558514.db2.gz OYBZGBSRNCKYNK-MWLCHTKSSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001014937950 664558516 /nfs/dbraw/zinc/55/85/16/664558516.db2.gz OYBZGBSRNCKYNK-MWLCHTKSSA-N 1 1 319.365 -1.213 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)O1 ZINC001014925185 664558615 /nfs/dbraw/zinc/55/86/15/664558615.db2.gz OZWCTXIRFVJKEW-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCN(Cc3nnnn3C)C2)O1 ZINC001014925185 664558617 /nfs/dbraw/zinc/55/86/17/664558617.db2.gz OZWCTXIRFVJKEW-GRYCIOLGSA-N 1 1 323.401 -1.380 20 0 DAADMO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)co1 ZINC001014984628 664558837 /nfs/dbraw/zinc/55/88/37/664558837.db2.gz UHRBXFMHPNHEQA-SECBINFHSA-N 1 1 303.340 -1.277 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999450 664559028 /nfs/dbraw/zinc/55/90/28/664559028.db2.gz JITRFJUAHSMTDP-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999450 664559029 /nfs/dbraw/zinc/55/90/29/664559029.db2.gz JITRFJUAHSMTDP-GHMZBOCLSA-N 1 1 311.386 -2.175 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003297 664559092 /nfs/dbraw/zinc/55/90/92/664559092.db2.gz HGMBXHUGPAVDKI-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003297 664559093 /nfs/dbraw/zinc/55/90/93/664559093.db2.gz HGMBXHUGPAVDKI-MNOVXSKESA-N 1 1 324.385 -1.751 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005776 664559217 /nfs/dbraw/zinc/55/92/17/664559217.db2.gz WTPAYIJNZKHXRE-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005776 664559220 /nfs/dbraw/zinc/55/92/20/664559220.db2.gz WTPAYIJNZKHXRE-NXEZZACHSA-N 1 1 310.358 -1.964 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003826 664559227 /nfs/dbraw/zinc/55/92/27/664559227.db2.gz LWUPEXTUXAEDAU-UWVGGRQHSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003826 664559228 /nfs/dbraw/zinc/55/92/28/664559228.db2.gz LWUPEXTUXAEDAU-UWVGGRQHSA-N 1 1 310.358 -2.093 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C2)c1=O ZINC001015011430 664559318 /nfs/dbraw/zinc/55/93/18/664559318.db2.gz WLSFIVAQRCQKJK-NSHDSACASA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C2)c1=O ZINC001015011430 664559319 /nfs/dbraw/zinc/55/93/19/664559319.db2.gz WLSFIVAQRCQKJK-NSHDSACASA-N 1 1 319.369 -1.294 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1=O ZINC001015006304 664559334 /nfs/dbraw/zinc/55/93/34/664559334.db2.gz BGCXNUDEVYJAFN-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1=O ZINC001015006304 664559336 /nfs/dbraw/zinc/55/93/36/664559336.db2.gz BGCXNUDEVYJAFN-RYUDHWBXSA-N 1 1 323.397 -2.161 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015027763 664559348 /nfs/dbraw/zinc/55/93/48/664559348.db2.gz ZSLARZHKTLBMGN-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015027763 664559350 /nfs/dbraw/zinc/55/93/50/664559350.db2.gz ZSLARZHKTLBMGN-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001015007067 664559384 /nfs/dbraw/zinc/55/93/84/664559384.db2.gz DLDRJWOHEJGKFS-LBPRGKRZSA-N 1 1 319.369 -1.294 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncn(C)c3=O)C2)cn1 ZINC001015007067 664559385 /nfs/dbraw/zinc/55/93/85/664559385.db2.gz DLDRJWOHEJGKFS-LBPRGKRZSA-N 1 1 319.369 -1.294 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015027762 664559468 /nfs/dbraw/zinc/55/94/68/664559468.db2.gz ZSLARZHKTLBMGN-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015027762 664559471 /nfs/dbraw/zinc/55/94/71/664559471.db2.gz ZSLARZHKTLBMGN-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015079992 664559984 /nfs/dbraw/zinc/55/99/84/664559984.db2.gz FFQHYWLHUVGNQF-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015079992 664559985 /nfs/dbraw/zinc/55/99/85/664559985.db2.gz FFQHYWLHUVGNQF-NEPJUHHUSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cn[nH]n1 ZINC001015057075 664559991 /nfs/dbraw/zinc/55/99/91/664559991.db2.gz GJHBUFUGFJOTSD-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057075 664559992 /nfs/dbraw/zinc/55/99/92/664559992.db2.gz GJHBUFUGFJOTSD-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1)c1cnn[nH]1 ZINC001015057075 664559993 /nfs/dbraw/zinc/55/99/93/664559993.db2.gz GJHBUFUGFJOTSD-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cn[nH]n1 ZINC001015062082 664560238 /nfs/dbraw/zinc/56/02/38/664560238.db2.gz PJZNMTLJMJDVFZ-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001015062082 664560239 /nfs/dbraw/zinc/56/02/39/664560239.db2.gz PJZNMTLJMJDVFZ-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001015062082 664560240 /nfs/dbraw/zinc/56/02/40/664560240.db2.gz PJZNMTLJMJDVFZ-VIFPVBQESA-N 1 1 321.341 -1.449 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092147 664560357 /nfs/dbraw/zinc/56/03/57/664560357.db2.gz SICLLPWHSZVLAL-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092147 664560358 /nfs/dbraw/zinc/56/03/58/664560358.db2.gz SICLLPWHSZVLAL-GHMZBOCLSA-N 1 1 311.386 -1.144 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093380 664560582 /nfs/dbraw/zinc/56/05/82/664560582.db2.gz YXDNFNQMMDSEPD-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CN3CCCNC3=O)C2)C1=O ZINC001015093380 664560585 /nfs/dbraw/zinc/56/05/85/664560585.db2.gz YXDNFNQMMDSEPD-RYUDHWBXSA-N 1 1 323.397 -1.177 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092151 664560637 /nfs/dbraw/zinc/56/06/37/664560637.db2.gz SICLLPWHSZVLAL-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015092151 664560638 /nfs/dbraw/zinc/56/06/38/664560638.db2.gz SICLLPWHSZVLAL-QWRGUYRKSA-N 1 1 311.386 -1.144 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001015089510 664560644 /nfs/dbraw/zinc/56/06/44/664560644.db2.gz FXJDJFDZDRBFCQ-LBPRGKRZSA-N 1 1 321.385 -1.116 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015136584 664560873 /nfs/dbraw/zinc/56/08/73/664560873.db2.gz CTHYNKIYKXEMPC-NXEZZACHSA-N 1 1 321.337 -1.972 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015136584 664560875 /nfs/dbraw/zinc/56/08/75/664560875.db2.gz CTHYNKIYKXEMPC-NXEZZACHSA-N 1 1 321.337 -1.972 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139980 664560960 /nfs/dbraw/zinc/56/09/60/664560960.db2.gz NUZHFOOOISMBKC-VHSXEESVSA-N 1 1 323.353 -1.726 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139980 664560962 /nfs/dbraw/zinc/56/09/62/664560962.db2.gz NUZHFOOOISMBKC-VHSXEESVSA-N 1 1 323.353 -1.726 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138160 664560970 /nfs/dbraw/zinc/56/09/70/664560970.db2.gz SBROXIPZYDRKBJ-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138160 664560971 /nfs/dbraw/zinc/56/09/71/664560971.db2.gz SBROXIPZYDRKBJ-JTQLQIEISA-N 1 1 323.353 -1.772 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139653 664560978 /nfs/dbraw/zinc/56/09/78/664560978.db2.gz JOCPHRGNWCYGEL-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015139653 664560979 /nfs/dbraw/zinc/56/09/79/664560979.db2.gz JOCPHRGNWCYGEL-ZJUUUORDSA-N 1 1 323.353 -1.597 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138161 664561117 /nfs/dbraw/zinc/56/11/17/664561117.db2.gz SBROXIPZYDRKBJ-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015138161 664561119 /nfs/dbraw/zinc/56/11/19/664561119.db2.gz SBROXIPZYDRKBJ-SNVBAGLBSA-N 1 1 323.353 -1.772 20 0 DAADMO COCCn1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)ccc1=O ZINC001015177907 664561444 /nfs/dbraw/zinc/56/14/44/664561444.db2.gz PEIIFDGLQZAFKK-NSHDSACASA-N 1 1 310.354 -1.314 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326398 664561836 /nfs/dbraw/zinc/56/18/36/664561836.db2.gz ZOAMMUAKNSCKHL-BTJONVMOSA-N 1 1 322.409 -1.214 20 0 DAADMO CNC(=O)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326404 664561950 /nfs/dbraw/zinc/56/19/50/664561950.db2.gz ZOAMMUAKNSCKHL-LGESCRJUSA-N 1 1 322.409 -1.214 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330986 664562335 /nfs/dbraw/zinc/56/23/35/664562335.db2.gz XPZXLDWYNDBGMK-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015330986 664562338 /nfs/dbraw/zinc/56/23/38/664562338.db2.gz XPZXLDWYNDBGMK-UWVGGRQHSA-N 1 1 307.354 -1.281 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015358055 664562433 /nfs/dbraw/zinc/56/24/33/664562433.db2.gz RKTYKUPHSSOODF-CMPLNLGQSA-N 1 1 306.370 -1.081 20 0 DAADMO CCn1cc(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)nn1 ZINC001015358055 664562435 /nfs/dbraw/zinc/56/24/35/664562435.db2.gz RKTYKUPHSSOODF-CMPLNLGQSA-N 1 1 306.370 -1.081 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1Cc2cncn2C(=O)N1 ZINC001015368487 664562461 /nfs/dbraw/zinc/56/24/61/664562461.db2.gz KMEBCHWZDDSVCQ-JQWIXIFHSA-N 1 1 307.354 -1.062 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328614 664562623 /nfs/dbraw/zinc/56/26/23/664562623.db2.gz JMSUTOCFVANDTF-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015328614 664562625 /nfs/dbraw/zinc/56/26/25/664562625.db2.gz JMSUTOCFVANDTF-ONGXEEELSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508121 664563361 /nfs/dbraw/zinc/56/33/61/664563361.db2.gz GWYXMECJRPIVOG-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508121 664563362 /nfs/dbraw/zinc/56/33/62/664563362.db2.gz GWYXMECJRPIVOG-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508179 664563390 /nfs/dbraw/zinc/56/33/90/664563390.db2.gz HPOGKAUBRBRICH-LBPRGKRZSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508179 664563391 /nfs/dbraw/zinc/56/33/91/664563391.db2.gz HPOGKAUBRBRICH-LBPRGKRZSA-N 1 1 320.397 -1.458 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001015507121 664563469 /nfs/dbraw/zinc/56/34/69/664563469.db2.gz BHYVAPYKCUHWKD-CYBMUJFWSA-N 1 1 320.397 -1.495 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510180 664563787 /nfs/dbraw/zinc/56/37/87/664563787.db2.gz ROTQZZRKBIWNHJ-LBPRGKRZSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015510180 664563789 /nfs/dbraw/zinc/56/37/89/664563789.db2.gz ROTQZZRKBIWNHJ-LBPRGKRZSA-N 1 1 320.397 -1.458 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1CCNC1=O ZINC001015510046 664563852 /nfs/dbraw/zinc/56/38/52/664563852.db2.gz KYMCWSMRPAMNHI-WDEREUQCSA-N 1 1 309.370 -1.662 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001015510518 664563957 /nfs/dbraw/zinc/56/39/57/664563957.db2.gz SHYKYMYBMCNTTL-ZDUSSCGKSA-N 1 1 320.397 -1.458 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)CN3CCNC(=O)C3)C2)cn1 ZINC001015510518 664563961 /nfs/dbraw/zinc/56/39/61/664563961.db2.gz SHYKYMYBMCNTTL-ZDUSSCGKSA-N 1 1 320.397 -1.458 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509681 664563992 /nfs/dbraw/zinc/56/39/92/664563992.db2.gz PUGDSMUMCBBCCQ-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)NC1=O ZINC001015509681 664563994 /nfs/dbraw/zinc/56/39/94/664563994.db2.gz PUGDSMUMCBBCCQ-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)c[nH]c1=O ZINC001015513149 664564012 /nfs/dbraw/zinc/56/40/12/664564012.db2.gz BAYBDRBAXXKISE-JTQLQIEISA-N 1 1 322.369 -1.045 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001018585101 664587870 /nfs/dbraw/zinc/58/78/70/664587870.db2.gz CXFINQDYYBGQSP-VIFPVBQESA-N 1 1 301.372 -1.450 20 0 DAADMO Cn1c(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515772 664564285 /nfs/dbraw/zinc/56/42/85/664564285.db2.gz YEDBIAFEPDEUTA-BDAKNGLRSA-N 1 1 321.337 -1.265 20 0 DAADMO Cn1c(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c[nH]c1=O ZINC001015515772 664564287 /nfs/dbraw/zinc/56/42/87/664564287.db2.gz YEDBIAFEPDEUTA-BDAKNGLRSA-N 1 1 321.337 -1.265 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCNC1=O ZINC001015517727 664564370 /nfs/dbraw/zinc/56/43/70/664564370.db2.gz FKCVQGPXQZVEEA-GHMZBOCLSA-N 1 1 322.365 -1.538 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CCNC1=O ZINC001015516137 664564440 /nfs/dbraw/zinc/56/44/40/664564440.db2.gz ANCGMYNXAMVFRL-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001015548398 664564463 /nfs/dbraw/zinc/56/44/63/664564463.db2.gz CMLPYNSBIAXMHI-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)n1 ZINC001015548398 664564467 /nfs/dbraw/zinc/56/44/67/664564467.db2.gz CMLPYNSBIAXMHI-NSHDSACASA-N 1 1 319.373 -1.077 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001015554902 664565113 /nfs/dbraw/zinc/56/51/13/664565113.db2.gz RJPVOWXANFLSMZ-NSHDSACASA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCc3ccnn3C)C2)n1 ZINC001015555976 664565185 /nfs/dbraw/zinc/56/51/85/664565185.db2.gz ZBRRKPSCYUJDEZ-SNVBAGLBSA-N 1 1 304.358 -1.010 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)n1 ZINC001015556521 664565191 /nfs/dbraw/zinc/56/51/91/664565191.db2.gz IKRNPTRYXQADKG-GHMZBOCLSA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015554860 664565303 /nfs/dbraw/zinc/56/53/03/664565303.db2.gz AQLJUGZCDVVTIO-SECBINFHSA-N 1 1 321.341 -1.837 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C2)n1 ZINC001015554860 664565305 /nfs/dbraw/zinc/56/53/05/664565305.db2.gz AQLJUGZCDVVTIO-SECBINFHSA-N 1 1 321.341 -1.837 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570313 664565473 /nfs/dbraw/zinc/56/54/73/664565473.db2.gz UPAMFHMHDBSOFW-IIEKFROSSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570313 664565475 /nfs/dbraw/zinc/56/54/75/664565475.db2.gz UPAMFHMHDBSOFW-IIEKFROSSA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570314 664565547 /nfs/dbraw/zinc/56/55/47/664565547.db2.gz UPAMFHMHDBSOFW-XPORZQOISA-N 1 1 307.350 -1.126 20 0 DAADMO O=C(N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001015570314 664565549 /nfs/dbraw/zinc/56/55/49/664565549.db2.gz UPAMFHMHDBSOFW-XPORZQOISA-N 1 1 307.350 -1.126 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001015634843 664565941 /nfs/dbraw/zinc/56/59/41/664565941.db2.gz OMGBFXRAOZHNTK-NEPJUHHUSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001015633850 664566046 /nfs/dbraw/zinc/56/60/46/664566046.db2.gz JKRMHKXYSYHKPC-ZYHUDNBSSA-N 1 1 306.370 -1.166 20 0 DAADMO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633838 664566184 /nfs/dbraw/zinc/56/61/84/664566184.db2.gz JETODMOGAJLRCA-ONGXEEELSA-N 1 1 309.370 -1.521 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1)C1CC1 ZINC001015633838 664566186 /nfs/dbraw/zinc/56/61/86/664566186.db2.gz JETODMOGAJLRCA-ONGXEEELSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1=O ZINC001015634572 664566248 /nfs/dbraw/zinc/56/62/48/664566248.db2.gz MKHMHUGHHFPBIV-VXGBXAGGSA-N 1 1 319.365 -1.243 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)[nH]c1=O ZINC001015657965 664566500 /nfs/dbraw/zinc/56/65/00/664566500.db2.gz DFUIYODWABRBKQ-SNVBAGLBSA-N 1 1 322.369 -1.045 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635678 664566547 /nfs/dbraw/zinc/56/65/47/664566547.db2.gz VNAMXJRMXQXZNI-VXGBXAGGSA-N 1 1 321.385 -1.233 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001015635676 664566574 /nfs/dbraw/zinc/56/65/74/664566574.db2.gz VNAMXJRMXQXZNI-NWDGAFQWSA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695607 664566787 /nfs/dbraw/zinc/56/67/87/664566787.db2.gz LWBAAZJDAILBDQ-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)CCNC1=O ZINC001015695607 664566789 /nfs/dbraw/zinc/56/67/89/664566789.db2.gz LWBAAZJDAILBDQ-ABAIWWIYSA-N 1 1 308.382 -1.065 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001015680741 664566861 /nfs/dbraw/zinc/56/68/61/664566861.db2.gz ARVCJVPFRGQPHV-QMMMGPOBSA-N 1 1 317.371 -1.756 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001015680740 664567061 /nfs/dbraw/zinc/56/70/61/664567061.db2.gz ARVCJVPFRGQPHV-MRVPVSSYSA-N 1 1 317.371 -1.756 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015763559 664567396 /nfs/dbraw/zinc/56/73/96/664567396.db2.gz AKBFCJDGWQTWFP-MWLCHTKSSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015763559 664567399 /nfs/dbraw/zinc/56/73/99/664567399.db2.gz AKBFCJDGWQTWFP-MWLCHTKSSA-N 1 1 305.338 -1.052 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001015713620 664567430 /nfs/dbraw/zinc/56/74/30/664567430.db2.gz PWSOOZIWUMKPNO-KCJUWKMLSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)[nH]1 ZINC001015713620 664567431 /nfs/dbraw/zinc/56/74/31/664567431.db2.gz PWSOOZIWUMKPNO-KCJUWKMLSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015714909 664567485 /nfs/dbraw/zinc/56/74/85/664567485.db2.gz MKHXNFUXVUGPMY-BBBLOLIVSA-N 1 1 323.353 -2.150 20 0 DAADMO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)CCNC1=O ZINC001015699824 664567497 /nfs/dbraw/zinc/56/74/97/664567497.db2.gz RQZSDDWHXYZHQG-FZMZJTMJSA-N 1 1 306.370 -1.005 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015789363 664567770 /nfs/dbraw/zinc/56/77/70/664567770.db2.gz QJJAQNHGLBVJIQ-NXEZZACHSA-N 1 1 310.354 -1.731 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)N1CCC1 ZINC001015772790 664567828 /nfs/dbraw/zinc/56/78/28/664567828.db2.gz FOUUFYABBRRGFZ-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)N1CCC1 ZINC001015772790 664567829 /nfs/dbraw/zinc/56/78/29/664567829.db2.gz FOUUFYABBRRGFZ-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015790447 664567889 /nfs/dbraw/zinc/56/78/89/664567889.db2.gz KOIZYERRGITKCU-BDAKNGLRSA-N 1 1 312.326 -2.022 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788039 664567904 /nfs/dbraw/zinc/56/79/04/664567904.db2.gz AFPMFKCAPWMNQO-RKDXNWHRSA-N 1 1 323.353 -2.238 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788039 664567905 /nfs/dbraw/zinc/56/79/05/664567905.db2.gz AFPMFKCAPWMNQO-RKDXNWHRSA-N 1 1 323.353 -2.238 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001015789191 664567921 /nfs/dbraw/zinc/56/79/21/664567921.db2.gz OHWXOLCHULGTGC-NSHDSACASA-N 1 1 320.353 -1.272 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C1)C1(n2cnnn2)CCOCC1 ZINC001015821976 664568171 /nfs/dbraw/zinc/56/81/71/664568171.db2.gz CRISUYWEPRDWAA-GFCCVEGCSA-N 1 1 324.385 -1.248 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015813163 664568217 /nfs/dbraw/zinc/56/82/17/664568217.db2.gz LPCCKSOWEVCPCJ-UWVGGRQHSA-N 1 1 309.374 -1.139 20 0 DAADMO CC(C)c1nnnn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015813163 664568218 /nfs/dbraw/zinc/56/82/18/664568218.db2.gz LPCCKSOWEVCPCJ-UWVGGRQHSA-N 1 1 309.374 -1.139 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)n1 ZINC001015831857 664568275 /nfs/dbraw/zinc/56/82/75/664568275.db2.gz FXCXSIXETMLRAR-RYUDHWBXSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015834786 664568536 /nfs/dbraw/zinc/56/85/36/664568536.db2.gz LONNYXQTSWICAM-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)S1(=O)=O ZINC001015825079 664568561 /nfs/dbraw/zinc/56/85/61/664568561.db2.gz CVOLCGPTUZIAHI-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842470 664568625 /nfs/dbraw/zinc/56/86/25/664568625.db2.gz MSNUTUKEYZASKS-MWLCHTKSSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015842470 664568627 /nfs/dbraw/zinc/56/86/27/664568627.db2.gz MSNUTUKEYZASKS-MWLCHTKSSA-N 1 1 324.381 -1.294 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001015865199 664568650 /nfs/dbraw/zinc/56/86/50/664568650.db2.gz SSXUTDPHYNKLDJ-WDEREUQCSA-N 1 1 310.354 -1.235 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842975 664568802 /nfs/dbraw/zinc/56/88/02/664568802.db2.gz URILEZXEJLFTHN-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C3CC(=O)NC(=O)C3)C2)C1=O ZINC001015842975 664568805 /nfs/dbraw/zinc/56/88/05/664568805.db2.gz URILEZXEJLFTHN-MNOVXSKESA-N 1 1 322.365 -1.540 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837717 664568861 /nfs/dbraw/zinc/56/88/61/664568861.db2.gz ZCUDYKHJNZXRGZ-WPRPVWTQSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837717 664568863 /nfs/dbraw/zinc/56/88/63/664568863.db2.gz ZCUDYKHJNZXRGZ-WPRPVWTQSA-N 1 1 310.354 -1.636 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001015864697 664568993 /nfs/dbraw/zinc/56/89/93/664568993.db2.gz GLOLGUKPOBEXTG-NSHDSACASA-N 1 1 320.353 -1.375 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001015865196 664569020 /nfs/dbraw/zinc/56/90/20/664569020.db2.gz SSXUTDPHYNKLDJ-GHMZBOCLSA-N 1 1 310.354 -1.235 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)ccc1=O ZINC001015867510 664569166 /nfs/dbraw/zinc/56/91/66/664569166.db2.gz DHGIGZVAZSHGKY-ZJUUUORDSA-N 1 1 307.354 -1.059 20 0 DAADMO CCn1nc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)ccc1=O ZINC001015867510 664569169 /nfs/dbraw/zinc/56/91/69/664569169.db2.gz DHGIGZVAZSHGKY-ZJUUUORDSA-N 1 1 307.354 -1.059 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865354 664569174 /nfs/dbraw/zinc/56/91/74/664569174.db2.gz WQLABMHPCPHMSH-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865354 664569175 /nfs/dbraw/zinc/56/91/75/664569175.db2.gz WQLABMHPCPHMSH-IUCAKERBSA-N 1 1 311.342 -2.137 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001015865884 664569580 /nfs/dbraw/zinc/56/95/80/664569580.db2.gz IQOPSGRBYUJVAF-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001015865884 664569582 /nfs/dbraw/zinc/56/95/82/664569582.db2.gz IQOPSGRBYUJVAF-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001015906287 664569664 /nfs/dbraw/zinc/56/96/64/664569664.db2.gz WXQGLGREMHLLTR-JTQLQIEISA-N 1 1 320.353 -1.306 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015905495 664569680 /nfs/dbraw/zinc/56/96/80/664569680.db2.gz OVKYECLGZFZOQM-VHSXEESVSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015905495 664569682 /nfs/dbraw/zinc/56/96/82/664569682.db2.gz OVKYECLGZFZOQM-VHSXEESVSA-N 1 1 305.338 -1.052 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970105 664569820 /nfs/dbraw/zinc/56/98/20/664569820.db2.gz ISXYTECGIPJXJW-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970105 664569823 /nfs/dbraw/zinc/56/98/23/664569823.db2.gz ISXYTECGIPJXJW-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001015970105 664569825 /nfs/dbraw/zinc/56/98/25/664569825.db2.gz ISXYTECGIPJXJW-NWDGAFQWSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015957618 664569845 /nfs/dbraw/zinc/56/98/45/664569845.db2.gz ZRAHWQZVLCUTHN-LLVKDONJSA-N 1 1 309.370 -1.436 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956530 664569853 /nfs/dbraw/zinc/56/98/53/664569853.db2.gz DRXFZVUASCZULD-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956533 664569942 /nfs/dbraw/zinc/56/99/42/664569942.db2.gz DRXFZVUASCZULD-VXGBXAGGSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015967305 664569956 /nfs/dbraw/zinc/56/99/56/664569956.db2.gz GMWMZWXLDPKQAC-DTWKUNHWSA-N 1 1 306.326 -1.657 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001015967305 664569958 /nfs/dbraw/zinc/56/99/58/664569958.db2.gz GMWMZWXLDPKQAC-DTWKUNHWSA-N 1 1 306.326 -1.657 20 0 DAADMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001015947890 664569988 /nfs/dbraw/zinc/56/99/88/664569988.db2.gz QWWKIWFSPGQBBQ-JTQLQIEISA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956531 664570069 /nfs/dbraw/zinc/57/00/69/664570069.db2.gz DRXFZVUASCZULD-NWDGAFQWSA-N 1 1 323.397 -1.048 20 0 DAADMO O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1CC[N@H+](CCO)C1 ZINC001015957619 664570073 /nfs/dbraw/zinc/57/00/73/664570073.db2.gz ZRAHWQZVLCUTHN-NSHDSACASA-N 1 1 309.370 -1.436 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)c1 ZINC001015907252 664570098 /nfs/dbraw/zinc/57/00/98/664570098.db2.gz GENHIBIIAQVCMV-KOLCDFICSA-N 1 1 305.338 -1.194 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)c1 ZINC001015907252 664570099 /nfs/dbraw/zinc/57/00/99/664570099.db2.gz GENHIBIIAQVCMV-KOLCDFICSA-N 1 1 305.338 -1.194 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015996147 664570446 /nfs/dbraw/zinc/57/04/46/664570446.db2.gz DXEKBTYUNBKKNJ-JQWIXIFHSA-N 1 1 319.365 -1.042 20 0 DAADMO Cn1cncc1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001015996147 664570448 /nfs/dbraw/zinc/57/04/48/664570448.db2.gz DXEKBTYUNBKKNJ-JQWIXIFHSA-N 1 1 319.365 -1.042 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001015970896 664570491 /nfs/dbraw/zinc/57/04/91/664570491.db2.gz VPXCWIQOVVSKDO-JTQLQIEISA-N 1 1 320.353 -1.313 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001015991228 664570797 /nfs/dbraw/zinc/57/07/97/664570797.db2.gz CCFSFJGPHMAWQX-RKDXNWHRSA-N 1 1 306.326 -1.398 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001015987618 664570838 /nfs/dbraw/zinc/57/08/38/664570838.db2.gz MIDDFZLJOOYTKA-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)C1=O ZINC001015987618 664570839 /nfs/dbraw/zinc/57/08/39/664570839.db2.gz MIDDFZLJOOYTKA-NXEZZACHSA-N 1 1 323.353 -2.041 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140253 664571136 /nfs/dbraw/zinc/57/11/36/664571136.db2.gz GQMICQWGIBQBHZ-WDEREUQCSA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)c(=O)n1C ZINC001016140253 664571137 /nfs/dbraw/zinc/57/11/37/664571137.db2.gz GQMICQWGIBQBHZ-WDEREUQCSA-N 1 1 322.369 -2.031 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140560 664571139 /nfs/dbraw/zinc/57/11/39/664571139.db2.gz JEKDZKFXACCMPX-PSASIEDQSA-N 1 1 310.358 -2.045 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)c(=O)n1C ZINC001016140560 664571140 /nfs/dbraw/zinc/57/11/40/664571140.db2.gz JEKDZKFXACCMPX-PSASIEDQSA-N 1 1 310.358 -2.045 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001016182315 664571663 /nfs/dbraw/zinc/57/16/63/664571663.db2.gz OQLBAWLKURWSHY-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)ccc1=O ZINC001016182315 664571665 /nfs/dbraw/zinc/57/16/65/664571665.db2.gz OQLBAWLKURWSHY-KOLCDFICSA-N 1 1 305.338 -1.527 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016201945 664571860 /nfs/dbraw/zinc/57/18/60/664571860.db2.gz KKBARIOEBZEDDX-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016201945 664571861 /nfs/dbraw/zinc/57/18/61/664571861.db2.gz KKBARIOEBZEDDX-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016204035 664571863 /nfs/dbraw/zinc/57/18/63/664571863.db2.gz XWQJHCYKHQZIIG-BDAKNGLRSA-N 1 1 309.326 -2.383 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016204035 664571864 /nfs/dbraw/zinc/57/18/64/664571864.db2.gz XWQJHCYKHQZIIG-BDAKNGLRSA-N 1 1 309.326 -2.383 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202323 664572164 /nfs/dbraw/zinc/57/21/64/664572164.db2.gz MDSRAVXEETZZDG-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016202323 664572166 /nfs/dbraw/zinc/57/21/66/664572166.db2.gz MDSRAVXEETZZDG-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016214531 664572312 /nfs/dbraw/zinc/57/23/12/664572312.db2.gz VSYBRICBRMHXRC-LLVKDONJSA-N 1 1 322.365 -1.442 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016214531 664572313 /nfs/dbraw/zinc/57/23/13/664572313.db2.gz VSYBRICBRMHXRC-LLVKDONJSA-N 1 1 322.365 -1.442 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016215293 664572461 /nfs/dbraw/zinc/57/24/61/664572461.db2.gz FHVURNHQLHCOHN-NWDGAFQWSA-N 1 1 323.397 -1.144 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016215293 664572464 /nfs/dbraw/zinc/57/24/64/664572464.db2.gz FHVURNHQLHCOHN-NWDGAFQWSA-N 1 1 323.397 -1.144 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016210236 664572496 /nfs/dbraw/zinc/57/24/96/664572496.db2.gz XBLBDPHGQYXFGQ-NSHDSACASA-N 1 1 322.365 -1.396 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016210236 664572499 /nfs/dbraw/zinc/57/24/99/664572499.db2.gz XBLBDPHGQYXFGQ-NSHDSACASA-N 1 1 322.365 -1.396 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209610 664572526 /nfs/dbraw/zinc/57/25/26/664572526.db2.gz UKXZTZMMINWTES-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209610 664572528 /nfs/dbraw/zinc/57/25/28/664572528.db2.gz UKXZTZMMINWTES-WDEREUQCSA-N 1 1 324.381 -1.197 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016217007 664572545 /nfs/dbraw/zinc/57/25/45/664572545.db2.gz NFRKPIROSQBYFU-NWDGAFQWSA-N 1 1 304.350 -1.073 20 0 DAADMO O=C(Cn1ccccc1=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016217007 664572546 /nfs/dbraw/zinc/57/25/46/664572546.db2.gz NFRKPIROSQBYFU-NWDGAFQWSA-N 1 1 304.350 -1.073 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250813 664572801 /nfs/dbraw/zinc/57/28/01/664572801.db2.gz QXESPRPRPQHYHN-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCN3C(=O)CNC3=O)C2)C1 ZINC001016250813 664572802 /nfs/dbraw/zinc/57/28/02/664572802.db2.gz QXESPRPRPQHYHN-RYUDHWBXSA-N 1 1 323.397 -1.320 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016238309 664572900 /nfs/dbraw/zinc/57/29/00/664572900.db2.gz CAYSCLUVKNMQRY-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016238309 664572901 /nfs/dbraw/zinc/57/29/01/664572901.db2.gz CAYSCLUVKNMQRY-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255906 664572903 /nfs/dbraw/zinc/57/29/03/664572903.db2.gz OUDJWRHINOSSFB-UWVGGRQHSA-N 1 1 317.353 -1.269 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001016255906 664572904 /nfs/dbraw/zinc/57/29/04/664572904.db2.gz OUDJWRHINOSSFB-UWVGGRQHSA-N 1 1 317.353 -1.269 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239203 664572951 /nfs/dbraw/zinc/57/29/51/664572951.db2.gz ILHIDBSAAHEUMS-HTQZYQBOSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239203 664572952 /nfs/dbraw/zinc/57/29/52/664572952.db2.gz ILHIDBSAAHEUMS-HTQZYQBOSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239209 664572956 /nfs/dbraw/zinc/57/29/56/664572956.db2.gz ILHIDBSAAHEUMS-YUMQZZPRSA-N 1 1 309.326 -1.836 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016239209 664572958 /nfs/dbraw/zinc/57/29/58/664572958.db2.gz ILHIDBSAAHEUMS-YUMQZZPRSA-N 1 1 309.326 -1.836 20 0 DAADMO Cn1[nH]c(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc1=O ZINC001016257567 664573171 /nfs/dbraw/zinc/57/31/71/664573171.db2.gz XXCSLCKQKCIZPQ-WDEREUQCSA-N 1 1 308.386 -1.249 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016284742 664573388 /nfs/dbraw/zinc/57/33/88/664573388.db2.gz UVFHMIHMPQCHCA-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016284742 664573391 /nfs/dbraw/zinc/57/33/91/664573391.db2.gz UVFHMIHMPQCHCA-UWVGGRQHSA-N 1 1 318.399 -2.043 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC(NC(=O)Cn2cnnn2)C1 ZINC001016325895 664573748 /nfs/dbraw/zinc/57/37/48/664573748.db2.gz OYCVPCHFCJUWPA-MCIGGMRASA-N 1 1 321.385 -1.127 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341910 664574083 /nfs/dbraw/zinc/57/40/83/664574083.db2.gz VQVDZMZEBHZTDJ-UWVGGRQHSA-N 1 1 310.358 -1.398 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016425911 664574272 /nfs/dbraw/zinc/57/42/72/664574272.db2.gz AYJLOQYMHOSVPS-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016425911 664574276 /nfs/dbraw/zinc/57/42/76/664574276.db2.gz AYJLOQYMHOSVPS-VHSXEESVSA-N 1 1 310.354 -1.682 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354851 664574387 /nfs/dbraw/zinc/57/43/87/664574387.db2.gz QVNPVSDIZKRUDJ-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)n(C)c1=O ZINC001016354851 664574389 /nfs/dbraw/zinc/57/43/89/664574389.db2.gz QVNPVSDIZKRUDJ-MNOVXSKESA-N 1 1 321.381 -1.194 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001016411835 664574482 /nfs/dbraw/zinc/57/44/82/664574482.db2.gz UANIIXYXXQGLNN-VIFPVBQESA-N 1 1 322.325 -1.266 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001016411835 664574484 /nfs/dbraw/zinc/57/44/84/664574484.db2.gz UANIIXYXXQGLNN-VIFPVBQESA-N 1 1 322.325 -1.266 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016430069 664574632 /nfs/dbraw/zinc/57/46/32/664574632.db2.gz KUKIABFDTXBJND-MWLCHTKSSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016430069 664574634 /nfs/dbraw/zinc/57/46/34/664574634.db2.gz KUKIABFDTXBJND-MWLCHTKSSA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)N1CCOCC1 ZINC001016439877 664574989 /nfs/dbraw/zinc/57/49/89/664574989.db2.gz YRFYYHJHCAPODE-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)N1CCOCC1 ZINC001016439877 664574991 /nfs/dbraw/zinc/57/49/91/664574991.db2.gz YRFYYHJHCAPODE-STQMWFEESA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016436982 664575054 /nfs/dbraw/zinc/57/50/54/664575054.db2.gz MSMRAWBBKLROFD-WDEREUQCSA-N 1 1 320.353 -1.479 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001016584492 664576312 /nfs/dbraw/zinc/57/63/12/664576312.db2.gz XXRCVVOIWZFKRF-VQXHTEKXSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001016584492 664576314 /nfs/dbraw/zinc/57/63/14/664576314.db2.gz XXRCVVOIWZFKRF-VQXHTEKXSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001016584487 664576423 /nfs/dbraw/zinc/57/64/23/664576423.db2.gz XXRCVVOIWZFKRF-ILDUYXDCSA-N 1 1 312.370 -1.702 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001016584487 664576424 /nfs/dbraw/zinc/57/64/24/664576424.db2.gz XXRCVVOIWZFKRF-ILDUYXDCSA-N 1 1 312.370 -1.702 20 0 DAADMO CS(=O)(=O)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016800035 664577782 /nfs/dbraw/zinc/57/77/82/664577782.db2.gz PLFBECVLFDJJJT-VIFPVBQESA-N 1 1 303.384 -1.513 20 0 DAADMO C[N@@H+](C[C@H]1CCCN(C(=O)Cn2cnnn2)C1)[C@H]1CCNC1=O ZINC001017044286 664580079 /nfs/dbraw/zinc/58/00/79/664580079.db2.gz RQIREWHHSYVYQR-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCN(C(=O)CC(N)=O)C2)nc1=O ZINC001017082629 664580590 /nfs/dbraw/zinc/58/05/90/664580590.db2.gz UDPBZSBZLPFFJJ-SNVBAGLBSA-N 1 1 324.385 -1.346 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017492996 664581533 /nfs/dbraw/zinc/58/15/33/664581533.db2.gz UESAIWBNBASLKX-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2=CCN(C(=O)C(N)=O)CC2)C1 ZINC001017492996 664581535 /nfs/dbraw/zinc/58/15/35/664581535.db2.gz UESAIWBNBASLKX-GFCCVEGCSA-N 1 1 324.381 -1.533 20 0 DAADMO COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001017686071 664582632 /nfs/dbraw/zinc/58/26/32/664582632.db2.gz JEKATQFRKQYBDT-TXEJJXNPSA-N 1 1 309.370 -1.097 20 0 DAADMO COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncn(C)c1=O ZINC001017686071 664582636 /nfs/dbraw/zinc/58/26/36/664582636.db2.gz JEKATQFRKQYBDT-TXEJJXNPSA-N 1 1 309.370 -1.097 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCN(C)C(=O)C1 ZINC001017691735 664582656 /nfs/dbraw/zinc/58/26/56/664582656.db2.gz ZBSCFYGWWRHPOH-MCIONIFRSA-N 1 1 324.425 -1.184 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001018480590 664587510 /nfs/dbraw/zinc/58/75/10/664587510.db2.gz WEFVEDFIDYKKBW-JTQLQIEISA-N 1 1 323.336 -1.375 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001018586952 664587686 /nfs/dbraw/zinc/58/76/86/664587686.db2.gz ZFBJJOMXKZKURV-VIFPVBQESA-N 1 1 301.372 -1.450 20 0 DAADMO O=C(c1ccn[nH]1)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018541043 664587794 /nfs/dbraw/zinc/58/77/94/664587794.db2.gz ICAABFYZZFQQSA-VIFPVBQESA-N 1 1 306.326 -1.234 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001018643550 664588234 /nfs/dbraw/zinc/58/82/34/664588234.db2.gz PMZBKZQDVQGEAS-QMMMGPOBSA-N 1 1 303.330 -1.413 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001018664094 664588533 /nfs/dbraw/zinc/58/85/33/664588533.db2.gz YIUDLVQUSHUBDA-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC001018666073 664588587 /nfs/dbraw/zinc/58/85/87/664588587.db2.gz ZWGSPZZTCNDUKZ-AAEUAGOBSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC001018666074 664588689 /nfs/dbraw/zinc/58/86/89/664588689.db2.gz ZWGSPZZTCNDUKZ-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO Cc1c(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001018660212 664588803 /nfs/dbraw/zinc/58/88/03/664588803.db2.gz WXJBZFBONFTFQQ-VIFPVBQESA-N 1 1 305.346 -1.349 20 0 DAADMO C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001018737572 664589063 /nfs/dbraw/zinc/58/90/63/664589063.db2.gz CAXZJJOSKWOLJJ-UWVGGRQHSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001018742846 664589282 /nfs/dbraw/zinc/58/92/82/664589282.db2.gz CVPWLZHCIYWJJH-NWDGAFQWSA-N 1 1 308.386 -1.164 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)n1 ZINC001018741281 664589453 /nfs/dbraw/zinc/58/94/53/664589453.db2.gz KDWCWTIDPMZUMW-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)C1)n1cncn1 ZINC001018737573 664589511 /nfs/dbraw/zinc/58/95/11/664589511.db2.gz CAXZJJOSKWOLJJ-ZJUUUORDSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)nn1 ZINC001018741699 664589560 /nfs/dbraw/zinc/58/95/60/664589560.db2.gz RPXUYVHZBYXCTJ-WCQYABFASA-N 1 1 308.386 -1.164 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnnn3C)C2)C1 ZINC001018770840 664589904 /nfs/dbraw/zinc/58/99/04/664589904.db2.gz MZDUUSORRLXRLG-SKDRFNHKSA-N 1 1 321.385 -1.060 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001018837731 664590414 /nfs/dbraw/zinc/59/04/14/664590414.db2.gz PURRHAIJCGRNBR-QWRGUYRKSA-N 1 1 310.358 -1.294 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)CC(N)=O)C3)C2)C1 ZINC001018887355 664590951 /nfs/dbraw/zinc/59/09/51/664590951.db2.gz HXXWOINAHSLILD-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CCN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001018934103 664591542 /nfs/dbraw/zinc/59/15/42/664591542.db2.gz FVXHCCXCLAIOMR-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001018934414 664591847 /nfs/dbraw/zinc/59/18/47/664591847.db2.gz OARQMTHOXBHEMU-MNOVXSKESA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018984195 664592855 /nfs/dbraw/zinc/59/28/55/664592855.db2.gz ULTUQLOPBLRQBH-UWVGGRQHSA-N 1 1 320.353 -1.291 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001018999120 664592877 /nfs/dbraw/zinc/59/28/77/664592877.db2.gz GWPYFYINHMDWIM-VHSXEESVSA-N 1 1 307.358 -1.573 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)n2)C1)S(C)(=O)=O ZINC001019047904 664593230 /nfs/dbraw/zinc/59/32/30/664593230.db2.gz ODAVXKJYKALPND-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C)C1)S(C)(=O)=O ZINC001019047917 664593276 /nfs/dbraw/zinc/59/32/76/664593276.db2.gz OTDAVDQIXNGFBM-ZJUUUORDSA-N 1 1 315.399 -1.061 20 0 DAADMO CN1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001019008329 664593689 /nfs/dbraw/zinc/59/36/89/664593689.db2.gz FGQLYQKLQLBSEI-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccon3)C2)c1=O ZINC001019063263 664594061 /nfs/dbraw/zinc/59/40/61/664594061.db2.gz JIPOHXUNAICQDF-NSHDSACASA-N 1 1 306.326 -1.040 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001019053030 664594183 /nfs/dbraw/zinc/59/41/83/664594183.db2.gz YEKMILVMIATYDJ-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019076430 664594209 /nfs/dbraw/zinc/59/42/09/664594209.db2.gz BYAJUHDXLHLBDM-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(C(=O)C(N)=O)C3)C1 ZINC001019076430 664594211 /nfs/dbraw/zinc/59/42/11/664594211.db2.gz BYAJUHDXLHLBDM-LLVKDONJSA-N 1 1 324.381 -1.747 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC001019083098 664594691 /nfs/dbraw/zinc/59/46/91/664594691.db2.gz FRKJDAVLJYLNFL-NSHDSACASA-N 1 1 321.385 -1.087 20 0 DAADMO Cn1ncnc1C[NH2+][C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001019085962 664594774 /nfs/dbraw/zinc/59/47/74/664594774.db2.gz DLKOCEWYOGWNGR-NSHDSACASA-N 1 1 321.385 -1.079 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)n1 ZINC001019167096 664595020 /nfs/dbraw/zinc/59/50/20/664595020.db2.gz JOZVJPDPOKYRKD-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC001019128671 664595171 /nfs/dbraw/zinc/59/51/71/664595171.db2.gz SZSAQNLVQNSVHI-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019224362 664595984 /nfs/dbraw/zinc/59/59/84/664595984.db2.gz NRXMNYCNVBTAHN-JTQLQIEISA-N 1 1 307.358 -1.058 20 0 DAADMO O=C([C@H]1CCNC1=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019234599 664596361 /nfs/dbraw/zinc/59/63/61/664596361.db2.gz MOCKEAMJNOEXFU-ONGXEEELSA-N 1 1 319.369 -1.165 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001019240478 664596560 /nfs/dbraw/zinc/59/65/60/664596560.db2.gz NTVCMVIUWFBBQR-GXSJLCMTSA-N 1 1 307.358 -1.471 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)nn1 ZINC001019234351 664596622 /nfs/dbraw/zinc/59/66/22/664596622.db2.gz FWWGHMLLYMHVPZ-NSHDSACASA-N 1 1 321.385 -2.063 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001019239115 664596760 /nfs/dbraw/zinc/59/67/60/664596760.db2.gz FQFQZWLQMKBSBQ-DTWKUNHWSA-N 1 1 308.346 -2.076 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CCF)C2)n1 ZINC001019258465 664596959 /nfs/dbraw/zinc/59/69/59/664596959.db2.gz AICYBGVDGMSVHD-VIFPVBQESA-N 1 1 323.336 -1.225 20 0 DAADMO Cn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)n1 ZINC001019261843 664597061 /nfs/dbraw/zinc/59/70/61/664597061.db2.gz ASIDONFHEFENTN-CMPLNLGQSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C3CC3)C2)n1 ZINC001019258631 664597218 /nfs/dbraw/zinc/59/72/18/664597218.db2.gz JYOISOARTIRADV-QMMMGPOBSA-N 1 1 318.345 -1.464 20 0 DAADMO CN1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)C2)C1=O ZINC001019262359 664597226 /nfs/dbraw/zinc/59/72/26/664597226.db2.gz QPDIIGHVZWUJRF-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001019276176 664597463 /nfs/dbraw/zinc/59/74/63/664597463.db2.gz JBHKKUOMZTUMEJ-VHSXEESVSA-N 1 1 307.358 -1.479 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019308950 664597973 /nfs/dbraw/zinc/59/79/73/664597973.db2.gz LQFYPGDGSOJQMX-WCBMZHEXSA-N 1 1 320.357 -1.620 20 0 DAADMO CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1 ZINC001019309198 664598196 /nfs/dbraw/zinc/59/81/96/664598196.db2.gz SDTQZUMWLFLSAS-CMPLNLGQSA-N 1 1 321.385 -1.022 20 0 DAADMO CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n1C ZINC001019308653 664598292 /nfs/dbraw/zinc/59/82/92/664598292.db2.gz BTOSYJVKRNMZTG-VHSXEESVSA-N 1 1 321.385 -1.251 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001019315467 664598332 /nfs/dbraw/zinc/59/83/32/664598332.db2.gz DOAGMDQDXGAMQD-MNOVXSKESA-N 1 1 322.369 -1.510 20 0 DAADMO CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019308969 664598358 /nfs/dbraw/zinc/59/83/58/664598358.db2.gz MNIIQDDFVASZMT-VHSXEESVSA-N 1 1 307.358 -1.330 20 0 DAADMO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)o1 ZINC001019314587 664598452 /nfs/dbraw/zinc/59/84/52/664598452.db2.gz UCJIQFCEMLNTHA-QMMMGPOBSA-N 1 1 315.351 -1.141 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019353786 664598939 /nfs/dbraw/zinc/59/89/39/664598939.db2.gz AXBBIFMFYXMOEW-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019353786 664598940 /nfs/dbraw/zinc/59/89/40/664598940.db2.gz AXBBIFMFYXMOEW-JTQLQIEISA-N 1 1 310.354 -2.137 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019355119 664599196 /nfs/dbraw/zinc/59/91/96/664599196.db2.gz JNPNMKRZIPIBJS-NSHDSACASA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019355118 664599500 /nfs/dbraw/zinc/59/95/00/664599500.db2.gz JNPNMKRZIPIBJS-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001019356308 664599505 /nfs/dbraw/zinc/59/95/05/664599505.db2.gz KWYUBHLYKUXKDG-WDEREUQCSA-N 1 1 308.382 -1.270 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019357821 664599764 /nfs/dbraw/zinc/59/97/64/664599764.db2.gz MDNRKCAVOBYXCL-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1 ZINC001019357821 664599768 /nfs/dbraw/zinc/59/97/68/664599768.db2.gz MDNRKCAVOBYXCL-NSHDSACASA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019388140 664600448 /nfs/dbraw/zinc/60/04/48/664600448.db2.gz KXTBGBXBEDUCAF-GDPRMGEGSA-N 1 1 319.369 -1.180 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019443139 664600688 /nfs/dbraw/zinc/60/06/88/664600688.db2.gz HTUZAPJPGMQWIM-GHMZBOCLSA-N 1 1 308.382 -1.270 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2 ZINC001019443141 664601121 /nfs/dbraw/zinc/60/11/21/664601121.db2.gz HTUZAPJPGMQWIM-QWRGUYRKSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1nnnc1CN[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518636 664601702 /nfs/dbraw/zinc/60/17/02/664601702.db2.gz WZGRNJZJGAPYQY-LBPRGKRZSA-N 1 1 323.401 -1.377 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527513 664602128 /nfs/dbraw/zinc/60/21/28/664602128.db2.gz GPQWDLPERJTFIW-VIFPVBQESA-N 1 1 321.341 -1.943 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001019551999 664602581 /nfs/dbraw/zinc/60/25/81/664602581.db2.gz MLUWZECQURFXBV-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001019552002 664602842 /nfs/dbraw/zinc/60/28/42/664602842.db2.gz MLUWZECQURFXBV-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C1)c1nnnn1C ZINC001019557953 664602857 /nfs/dbraw/zinc/60/28/57/664602857.db2.gz XCWNJWHUTKDYHP-UWVGGRQHSA-N 1 1 320.361 -1.462 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1 ZINC001019590194 664603076 /nfs/dbraw/zinc/60/30/76/664603076.db2.gz LRXVMOPEXFSBBO-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnnn3C)C2)nn1 ZINC001019578883 664603092 /nfs/dbraw/zinc/60/30/92/664603092.db2.gz DPNHBXXUMAKUHT-VIFPVBQESA-N 1 1 305.346 -1.174 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C(N)=O)CCCO2)C1 ZINC001019590196 664603123 /nfs/dbraw/zinc/60/31/23/664603123.db2.gz LRXVMOPEXFSBBO-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001019674073 664603495 /nfs/dbraw/zinc/60/34/95/664603495.db2.gz ZVASXAPVPJFCJE-JTQLQIEISA-N 1 1 317.353 -1.087 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cncn2)C1)c1nnnn1C ZINC001019745989 664604073 /nfs/dbraw/zinc/60/40/73/664604073.db2.gz XQFIRMQBCWKALT-ZJUUUORDSA-N 1 1 305.346 -1.247 20 0 DAADMO Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019748918 664604181 /nfs/dbraw/zinc/60/41/81/664604181.db2.gz MFPOERIGRFGZME-JTQLQIEISA-N 1 1 320.353 -1.338 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)C1 ZINC001019800596 664605017 /nfs/dbraw/zinc/60/50/17/664605017.db2.gz QOMKCDWPZDISNC-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NCc3nnnn3C)C2)C1 ZINC001019800596 664605020 /nfs/dbraw/zinc/60/50/20/664605020.db2.gz QOMKCDWPZDISNC-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)nn1 ZINC001019820399 664605038 /nfs/dbraw/zinc/60/50/38/664605038.db2.gz IPKNJTBTCIGRIL-QMMMGPOBSA-N 1 1 320.313 -1.849 20 0 DAADMO Cn1cnnc1C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892785 664606034 /nfs/dbraw/zinc/60/60/34/664606034.db2.gz YHMRXEYUPBEJJA-ZJUUUORDSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)nn1 ZINC001019892289 664606073 /nfs/dbraw/zinc/60/60/73/664606073.db2.gz CQPAKPTUDAKFIY-ZJUUUORDSA-N 1 1 320.353 -1.442 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001019969037 664607365 /nfs/dbraw/zinc/60/73/65/664607365.db2.gz PXNDHOWZFUXKCT-ZKCHVHJHSA-N 1 1 304.314 -1.244 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001019975441 664607415 /nfs/dbraw/zinc/60/74/15/664607415.db2.gz BXHBXXMKYQUHCS-KYZUINATSA-N 1 1 318.345 -1.569 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)Cn1cnnn1 ZINC001020044630 664607595 /nfs/dbraw/zinc/60/75/95/664607595.db2.gz CQBYKGOZXKOHCG-SDDRHHMPSA-N 1 1 321.385 -1.127 20 0 DAADMO COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020023516 664607759 /nfs/dbraw/zinc/60/77/59/664607759.db2.gz UWHFTGAAMWCWLY-AATLWQCWSA-N 1 1 308.342 -1.244 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1)c1nnnn1C ZINC001020027978 664607821 /nfs/dbraw/zinc/60/78/21/664607821.db2.gz IWHSOBSSUKGKCB-ZYUZMQFOSA-N 1 1 307.358 -1.214 20 0 DAADMO COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001020023517 664607936 /nfs/dbraw/zinc/60/79/36/664607936.db2.gz UWHFTGAAMWCWLY-KYXWUPHJSA-N 1 1 308.342 -1.244 20 0 DAADMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1cnnn1 ZINC001020042949 664607943 /nfs/dbraw/zinc/60/79/43/664607943.db2.gz WSMVGTXTSBVCBQ-TUAOUCFPSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1)c1nnnn1C ZINC001020045746 664608295 /nfs/dbraw/zinc/60/82/95/664608295.db2.gz KATMWYAJUIOIHP-DDHJBXDOSA-N 1 1 323.401 -1.162 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCN2C)C1)c1nnnn1C ZINC001020089617 664608682 /nfs/dbraw/zinc/60/86/82/664608682.db2.gz RAWDMRDUGKDGHE-KKOKHZNYSA-N 1 1 323.401 -1.162 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1)c1nnnn1C ZINC001020128032 664609317 /nfs/dbraw/zinc/60/93/17/664609317.db2.gz BRKQFYJBRMLCCX-IWSPIJDZSA-N 1 1 305.346 -1.050 20 0 DAADMO CCn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001020130143 664609321 /nfs/dbraw/zinc/60/93/21/664609321.db2.gz LTATYYGKPWUTBU-KYZUINATSA-N 1 1 305.346 -1.128 20 0 DAADMO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1)c1nnnn1C ZINC001020121115 664609356 /nfs/dbraw/zinc/60/93/56/664609356.db2.gz BAHJULWICBDIKT-FNCVBFRFSA-N 1 1 309.330 -1.384 20 0 DAADMO CCn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001020156361 664609569 /nfs/dbraw/zinc/60/95/69/664609569.db2.gz IKOVHEDHYCUDNM-MGCOHNPYSA-N 1 1 305.346 -1.279 20 0 DAADMO CN(C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)n1 ZINC001020156758 664610168 /nfs/dbraw/zinc/61/01/68/664610168.db2.gz YVIQXRAPCLJVSC-KYZUINATSA-N 1 1 321.345 -1.441 20 0 DAADMO CN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)CC1=O ZINC001020211013 664610205 /nfs/dbraw/zinc/61/02/05/664610205.db2.gz QZIYUHYLFPKIBL-OPRDCNLKSA-N 1 1 307.358 -1.575 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020250012 664610994 /nfs/dbraw/zinc/61/09/94/664610994.db2.gz LYVRDUYCYLTJQF-GUBZILKMSA-N 1 1 318.337 -1.189 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020242717 664611030 /nfs/dbraw/zinc/61/10/30/664611030.db2.gz YJRMQZIBYYRXFK-MGCOHNPYSA-N 1 1 309.326 -1.335 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001020275368 664611464 /nfs/dbraw/zinc/61/14/64/664611464.db2.gz JVSISXOCFVVICN-ZKCHVHJHSA-N 1 1 304.314 -1.244 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001020346604 664611963 /nfs/dbraw/zinc/61/19/63/664611963.db2.gz OLAPYUPSEYNYJL-MGCOHNPYSA-N 1 1 322.373 -1.638 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001038388217 664612601 /nfs/dbraw/zinc/61/26/01/664612601.db2.gz KGOYTNWATJAIDN-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001038388217 664612604 /nfs/dbraw/zinc/61/26/04/664612604.db2.gz KGOYTNWATJAIDN-NWDGAFQWSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cncn1)[C@H]1CCCNC1=O ZINC001038377784 664612683 /nfs/dbraw/zinc/61/26/83/664612683.db2.gz ONGLPAVSZTYNDC-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cncn1)[C@H]1CCCNC1=O ZINC001038377784 664612685 /nfs/dbraw/zinc/61/26/85/664612685.db2.gz ONGLPAVSZTYNDC-RYUDHWBXSA-N 1 1 306.370 -1.005 20 0 DAADMO NC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038533851 664614298 /nfs/dbraw/zinc/61/42/98/664614298.db2.gz CMBUZYXLXZUITJ-OOLXCHQQSA-N 1 1 308.382 -1.475 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](C)O)nn1-c1nc[nH]n1 ZINC001038575769 664614576 /nfs/dbraw/zinc/61/45/76/664614576.db2.gz NNFZEOPBDIGKOQ-PSASIEDQSA-N 1 1 320.357 -1.121 20 0 DAADMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](C)O)nn1-c1nc[nH]n1 ZINC001038575769 664614580 /nfs/dbraw/zinc/61/45/80/664614580.db2.gz NNFZEOPBDIGKOQ-PSASIEDQSA-N 1 1 320.357 -1.121 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCO)c1ccc(-n2cnnn2)cn1 ZINC001038549060 664614733 /nfs/dbraw/zinc/61/47/33/664614733.db2.gz FHIGXOQRLCNWDT-SNVBAGLBSA-N 1 1 303.326 -1.146 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCO)c1ccc(-n2cnnn2)cn1 ZINC001038549060 664614738 /nfs/dbraw/zinc/61/47/38/664614738.db2.gz FHIGXOQRLCNWDT-SNVBAGLBSA-N 1 1 303.326 -1.146 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2CCO)nn1-c1nc[nH]n1 ZINC001038559685 664614789 /nfs/dbraw/zinc/61/47/89/664614789.db2.gz LYQFWINQBXCRGL-VIFPVBQESA-N 1 1 306.330 -1.510 20 0 DAADMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2CCO)nn1-c1nc[nH]n1 ZINC001038559685 664614794 /nfs/dbraw/zinc/61/47/94/664614794.db2.gz LYQFWINQBXCRGL-VIFPVBQESA-N 1 1 306.330 -1.510 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038650573 664615279 /nfs/dbraw/zinc/61/52/79/664615279.db2.gz MDEVBMLWCCVGNS-RYUDHWBXSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001038650573 664615281 /nfs/dbraw/zinc/61/52/81/664615281.db2.gz MDEVBMLWCCVGNS-RYUDHWBXSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCn1cncn1)c1c[nH]c(=O)cn1 ZINC001038651057 664615304 /nfs/dbraw/zinc/61/53/04/664615304.db2.gz LNWDLCRUVWYXHB-SNVBAGLBSA-N 1 1 303.326 -1.134 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCn1cncn1)c1c[nH]c(=O)cn1 ZINC001038651057 664615307 /nfs/dbraw/zinc/61/53/07/664615307.db2.gz LNWDLCRUVWYXHB-SNVBAGLBSA-N 1 1 303.326 -1.134 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038650574 664615370 /nfs/dbraw/zinc/61/53/70/664615370.db2.gz MDEVBMLWCCVGNS-VXGBXAGGSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038650574 664615372 /nfs/dbraw/zinc/61/53/72/664615372.db2.gz MDEVBMLWCCVGNS-VXGBXAGGSA-N 1 1 306.370 -1.166 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001038649214 664615387 /nfs/dbraw/zinc/61/53/87/664615387.db2.gz GZCDDAYXLXZCCY-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001038649214 664615391 /nfs/dbraw/zinc/61/53/91/664615391.db2.gz GZCDDAYXLXZCCY-ZJUUUORDSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038651304 664615627 /nfs/dbraw/zinc/61/56/27/664615627.db2.gz OSNPHHAWRGFCAY-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@H]1CC[N@H+]1CCN1CCCC1=O)[C@@H]1CNC(=O)N1 ZINC001038651304 664615630 /nfs/dbraw/zinc/61/56/30/664615630.db2.gz OSNPHHAWRGFCAY-MNOVXSKESA-N 1 1 309.370 -1.519 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001038649212 664615749 /nfs/dbraw/zinc/61/57/49/664615749.db2.gz GZCDDAYXLXZCCY-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CCC1=O)[C@@H]1CNC(=O)N1 ZINC001038649212 664615751 /nfs/dbraw/zinc/61/57/51/664615751.db2.gz GZCDDAYXLXZCCY-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038650571 664615859 /nfs/dbraw/zinc/61/58/59/664615859.db2.gz MDEVBMLWCCVGNS-NWDGAFQWSA-N 1 1 306.370 -1.166 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001038650571 664615865 /nfs/dbraw/zinc/61/58/65/664615865.db2.gz MDEVBMLWCCVGNS-NWDGAFQWSA-N 1 1 306.370 -1.166 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038682668 664615974 /nfs/dbraw/zinc/61/59/74/664615974.db2.gz RJXPJIOUPTWMEN-MRVPVSSYSA-N 1 1 317.371 -1.756 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038682668 664615977 /nfs/dbraw/zinc/61/59/77/664615977.db2.gz RJXPJIOUPTWMEN-MRVPVSSYSA-N 1 1 317.371 -1.756 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038683111 664616206 /nfs/dbraw/zinc/61/62/06/664616206.db2.gz UVINAIZYSRTTDY-SSDOTTSWSA-N 1 1 303.344 -2.147 20 0 DAADMO NS(=O)(=O)c1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038683111 664616207 /nfs/dbraw/zinc/61/62/07/664616207.db2.gz UVINAIZYSRTTDY-SSDOTTSWSA-N 1 1 303.344 -2.147 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038710220 664616625 /nfs/dbraw/zinc/61/66/25/664616625.db2.gz IQLIICPCHACMSE-MXWKQRLJSA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038710220 664616628 /nfs/dbraw/zinc/61/66/28/664616628.db2.gz IQLIICPCHACMSE-MXWKQRLJSA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC001038710218 664616648 /nfs/dbraw/zinc/61/66/48/664616648.db2.gz IQLIICPCHACMSE-AXFHLTTASA-N 1 1 309.370 -1.677 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCN1CCNC1=O ZINC001038710218 664616650 /nfs/dbraw/zinc/61/66/50/664616650.db2.gz IQLIICPCHACMSE-AXFHLTTASA-N 1 1 309.370 -1.677 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCn1cccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038757597 664616837 /nfs/dbraw/zinc/61/68/37/664616837.db2.gz QGJYUIQRMKHHLM-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCn1cccn1)[C@@H]1CC(=O)NC(=O)N1 ZINC001038757597 664616840 /nfs/dbraw/zinc/61/68/40/664616840.db2.gz QGJYUIQRMKHHLM-QWRGUYRKSA-N 1 1 320.353 -1.328 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001038760019 664616845 /nfs/dbraw/zinc/61/68/45/664616845.db2.gz KSGSVUVKVVJOLH-GHMZBOCLSA-N 1 1 324.381 -1.077 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)S1(=O)=O ZINC001038799618 664617045 /nfs/dbraw/zinc/61/70/45/664617045.db2.gz DQJSCWJHXDHYDB-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO CN1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)S1(=O)=O ZINC001038799618 664617043 /nfs/dbraw/zinc/61/70/43/664617043.db2.gz DQJSCWJHXDHYDB-WDEREUQCSA-N 1 1 305.400 -1.407 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038812923 664617396 /nfs/dbraw/zinc/61/73/96/664617396.db2.gz PCEJLJUPRBAKSS-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2C[C@H](O)Cn2cccn2)n1 ZINC001038812923 664617398 /nfs/dbraw/zinc/61/73/98/664617398.db2.gz PCEJLJUPRBAKSS-NEPJUHHUSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038812926 664617758 /nfs/dbraw/zinc/61/77/58/664617758.db2.gz PCEJLJUPRBAKSS-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](O)Cn2cccn2)n1 ZINC001038812926 664617759 /nfs/dbraw/zinc/61/77/59/664617759.db2.gz PCEJLJUPRBAKSS-VXGBXAGGSA-N 1 1 319.369 -1.123 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)C1 ZINC001039049314 664618889 /nfs/dbraw/zinc/61/88/89/664618889.db2.gz VUTNDLAVQCJXIM-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2nnnn2C)C1 ZINC001039049314 664618890 /nfs/dbraw/zinc/61/88/90/664618890.db2.gz VUTNDLAVQCJXIM-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047385 664618892 /nfs/dbraw/zinc/61/88/92/664618892.db2.gz PXDDLFGMLVLOIE-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2nnn(C)n2)C1 ZINC001039047385 664618893 /nfs/dbraw/zinc/61/88/93/664618893.db2.gz PXDDLFGMLVLOIE-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO NC(=O)C(=O)N1CCC([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001039158201 664619140 /nfs/dbraw/zinc/61/91/40/664619140.db2.gz NXHJVEOEFSOKPV-RYUDHWBXSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ncnn2)C1 ZINC001039202206 664619166 /nfs/dbraw/zinc/61/91/66/664619166.db2.gz IWUFJQPDDCMOCF-RYUDHWBXSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329933 664619182 /nfs/dbraw/zinc/61/91/82/664619182.db2.gz ONGJJSDNHUVFAN-AXFHLTTASA-N 1 1 307.358 -1.388 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001039329933 664619184 /nfs/dbraw/zinc/61/91/84/664619184.db2.gz ONGJJSDNHUVFAN-AXFHLTTASA-N 1 1 307.358 -1.388 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001039105568 664619283 /nfs/dbraw/zinc/61/92/83/664619283.db2.gz XGRDUKMMDWHWJX-GFCCVEGCSA-N 1 1 321.385 -1.281 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366103 664619454 /nfs/dbraw/zinc/61/94/54/664619454.db2.gz OVYBYIJDPPMSST-AXFHLTTASA-N 1 1 322.369 -1.077 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001039366103 664619455 /nfs/dbraw/zinc/61/94/55/664619455.db2.gz OVYBYIJDPPMSST-AXFHLTTASA-N 1 1 322.369 -1.077 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CNC(N)=O)C1 ZINC001041381161 677689191 /nfs/dbraw/zinc/68/91/91/677689191.db2.gz BCNAOKNPUNKYIY-SECBINFHSA-N 1 1 313.358 -2.562 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617549 677689384 /nfs/dbraw/zinc/68/93/84/677689384.db2.gz PRPRSQHWINZZAQ-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617549 677689385 /nfs/dbraw/zinc/68/93/85/677689385.db2.gz PRPRSQHWINZZAQ-QJPTWQEYSA-N 1 1 308.382 -1.114 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC001083322874 677689414 /nfs/dbraw/zinc/68/94/14/677689414.db2.gz DQEHYZGOBBUGSG-MNOVXSKESA-N 1 1 309.326 -1.672 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1=COCCO1 ZINC001083322874 677689415 /nfs/dbraw/zinc/68/94/15/677689415.db2.gz DQEHYZGOBBUGSG-MNOVXSKESA-N 1 1 309.326 -1.672 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075631819 677689746 /nfs/dbraw/zinc/68/97/46/677689746.db2.gz TXXZFOMOSXXXCQ-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083417637 677697748 /nfs/dbraw/zinc/69/77/48/677697748.db2.gz XMKRPYCPHAEQRX-MCIONIFRSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083417637 677697750 /nfs/dbraw/zinc/69/77/50/677697750.db2.gz XMKRPYCPHAEQRX-MCIONIFRSA-N 1 1 323.397 -1.625 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473793 677724285 /nfs/dbraw/zinc/72/42/85/677724285.db2.gz WQMDKEPQBLYLMZ-HLTSFMKQSA-N 1 1 312.330 -3.081 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473507 677724340 /nfs/dbraw/zinc/72/43/40/677724340.db2.gz GHBAKPSOHIHLMC-AXFHLTTASA-N 1 1 324.385 -1.416 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083490942 677726011 /nfs/dbraw/zinc/72/60/11/677726011.db2.gz FHSHDBPQJXQSOI-IEBDPFPHSA-N 1 1 306.326 -1.720 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083491078 677726128 /nfs/dbraw/zinc/72/61/28/677726128.db2.gz MFQFSXPTGRDYKK-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001076931334 677770665 /nfs/dbraw/zinc/77/06/65/677770665.db2.gz ALXFRQPCWTXFCU-IACUBPJLSA-N 1 1 311.382 -1.338 20 0 DAADMO Cn1ncc2c1C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)CC2 ZINC000913182204 677822570 /nfs/dbraw/zinc/82/25/70/677822570.db2.gz VOALXTXLDMERAV-XHDPSFHLSA-N 1 1 308.382 -1.008 20 0 DAADMO CN1C(=O)CS/C1=C\C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179441 677822674 /nfs/dbraw/zinc/82/26/74/677822674.db2.gz QERQGLJSJMKUQY-CSXHZRMWSA-N 1 1 301.368 -1.500 20 0 DAADMO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077335529 677800495 /nfs/dbraw/zinc/80/04/95/677800495.db2.gz VOMDLDHPSRRFCD-BFHYXJOUSA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083573652 677800661 /nfs/dbraw/zinc/80/06/61/677800661.db2.gz QHVMIAXLHFPKTK-WOPDTQHZSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001083573651 677800848 /nfs/dbraw/zinc/80/08/48/677800848.db2.gz QHVMIAXLHFPKTK-UTUOFQBUSA-N 1 1 323.401 -1.644 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001077336625 677800870 /nfs/dbraw/zinc/80/08/70/677800870.db2.gz FLCJLFVIBKQXAW-IJLUTSLNSA-N 1 1 314.386 -1.415 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077335530 677800938 /nfs/dbraw/zinc/80/09/38/677800938.db2.gz VOMDLDHPSRRFCD-MGPQQGTHSA-N 1 1 313.398 -1.211 20 0 DAADMO COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000912358283 677817987 /nfs/dbraw/zinc/81/79/87/677817987.db2.gz OABYSCKGYRBGJZ-LLVKDONJSA-N 1 1 315.370 -1.393 20 0 DAADMO COC(OC)C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000912358283 677817989 /nfs/dbraw/zinc/81/79/89/677817989.db2.gz OABYSCKGYRBGJZ-LLVKDONJSA-N 1 1 315.370 -1.393 20 0 DAADMO C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCN1S(C)(=O)=O ZINC000912508786 677818648 /nfs/dbraw/zinc/81/86/48/677818648.db2.gz YNDWGKRGGRCDLL-WZRBSPASSA-N 1 1 319.427 -1.066 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2nccnn2)CC1 ZINC000912975775 677820518 /nfs/dbraw/zinc/82/05/18/677820518.db2.gz BUHOFHZGUVOWQA-SMDDNHRTSA-N 1 1 306.370 -1.025 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912950563 677820564 /nfs/dbraw/zinc/82/05/64/677820564.db2.gz QDELKWQHBMBJNC-UHFFFAOYSA-N 1 1 322.431 -1.343 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2nccnn2)CC1 ZINC000912975774 677820641 /nfs/dbraw/zinc/82/06/41/677820641.db2.gz BUHOFHZGUVOWQA-RISCZKNCSA-N 1 1 306.370 -1.025 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030028034 677820650 /nfs/dbraw/zinc/82/06/50/677820650.db2.gz FPWKCSBXRVLQNC-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001030028034 677820651 /nfs/dbraw/zinc/82/06/51/677820651.db2.gz FPWKCSBXRVLQNC-UTLUCORTSA-N 1 1 323.353 -1.946 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2nccnn2)CC1 ZINC000912975772 677820765 /nfs/dbraw/zinc/82/07/65/677820765.db2.gz BUHOFHZGUVOWQA-BXUZGUMPSA-N 1 1 306.370 -1.025 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040753817 677846554 /nfs/dbraw/zinc/84/65/54/677846554.db2.gz VKALPTVVORCSJV-ZDUSSCGKSA-N 1 1 300.359 -2.109 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001040751832 677846719 /nfs/dbraw/zinc/84/67/19/677846719.db2.gz FXRIBPVOCVFIAN-GPCCPHFNSA-N 1 1 312.370 -2.109 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740622 677852733 /nfs/dbraw/zinc/85/27/33/677852733.db2.gz JJWZSPJJBPVMLR-AEJSXWLSSA-N 1 1 318.324 -1.126 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)[C@@H](O)C2)cn1 ZINC001083740703 677852759 /nfs/dbraw/zinc/85/27/59/677852759.db2.gz MCFJMEXAXMCDBP-TUAOUCFPSA-N 1 1 322.369 -2.195 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c(C)nn1C ZINC001077766700 677879938 /nfs/dbraw/zinc/87/99/38/677879938.db2.gz RBRIYMDGTWIRSK-GHMZBOCLSA-N 1 1 312.370 -1.106 20 0 DAADMO COc1c(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(C)nn1C ZINC001077766867 677880234 /nfs/dbraw/zinc/88/02/34/677880234.db2.gz ZFXSOFUUAYBCSD-FBIMIBRVSA-N 1 1 312.370 -1.107 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043629565 677932889 /nfs/dbraw/zinc/93/28/89/677932889.db2.gz RIDKHWZORQXMBB-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043629565 677932890 /nfs/dbraw/zinc/93/28/90/677932890.db2.gz RIDKHWZORQXMBB-ZDUSSCGKSA-N 1 1 312.414 -1.016 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001003045444 677939337 /nfs/dbraw/zinc/93/93/37/677939337.db2.gz POUFIPRBNSQHFD-UWVGGRQHSA-N 1 1 323.353 -1.946 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001044302526 677945295 /nfs/dbraw/zinc/94/52/95/677945295.db2.gz LJCRQJWFYOWSNO-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CC(=O)N2CCOCC2)C1 ZINC001044292289 677945371 /nfs/dbraw/zinc/94/53/71/677945371.db2.gz LIVFXNWKSGLDAJ-ZDUSSCGKSA-N 1 1 324.425 -1.061 20 0 DAADMO C[N@@H+](CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O)C1CCC1 ZINC001061836387 677966081 /nfs/dbraw/zinc/96/60/81/677966081.db2.gz MVFYBBFRPPWEGZ-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO NC(=O)C(=O)NC1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001063645566 677989263 /nfs/dbraw/zinc/98/92/63/677989263.db2.gz JEJCWQZQXSNFJY-UHFFFAOYSA-N 1 1 312.370 -1.651 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035591 678030553 /nfs/dbraw/zinc/03/05/53/678030553.db2.gz ULIBPXNEEDAOHS-UTUOFQBUSA-N 1 1 323.397 -1.273 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035591 678030556 /nfs/dbraw/zinc/03/05/56/678030556.db2.gz ULIBPXNEEDAOHS-UTUOFQBUSA-N 1 1 323.397 -1.273 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334242 678065913 /nfs/dbraw/zinc/06/59/13/678065913.db2.gz KJSXMLGDJGBKLQ-YNEHKIRRSA-N 1 1 324.385 -1.085 20 0 DAADMO CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081334241 678066007 /nfs/dbraw/zinc/06/60/07/678066007.db2.gz KJSXMLGDJGBKLQ-JHJVBQTASA-N 1 1 324.385 -1.085 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](OC)C1 ZINC001081481426 678078743 /nfs/dbraw/zinc/07/87/43/678078743.db2.gz IFTRFKGNNSOQLW-UPJWGTAASA-N 1 1 301.387 -1.221 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081501576 678080997 /nfs/dbraw/zinc/08/09/97/678080997.db2.gz BKZHRVJYTUXDAV-UWVGGRQHSA-N 1 1 309.326 -2.388 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589288 678086517 /nfs/dbraw/zinc/08/65/17/678086517.db2.gz CRUOUHICBBRIAT-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589288 678086521 /nfs/dbraw/zinc/08/65/21/678086521.db2.gz CRUOUHICBBRIAT-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589288 678086525 /nfs/dbraw/zinc/08/65/25/678086525.db2.gz CRUOUHICBBRIAT-CMPLNLGQSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081589209 678086575 /nfs/dbraw/zinc/08/65/75/678086575.db2.gz BSTRUKLISGLKTP-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589209 678086578 /nfs/dbraw/zinc/08/65/78/678086578.db2.gz BSTRUKLISGLKTP-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589209 678086580 /nfs/dbraw/zinc/08/65/80/678086580.db2.gz BSTRUKLISGLKTP-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](OC)C1 ZINC001081767656 678105667 /nfs/dbraw/zinc/10/56/67/678105667.db2.gz AVNBJYWWJDNZTQ-GHMZBOCLSA-N 1 1 305.400 -1.143 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001081759379 678105690 /nfs/dbraw/zinc/10/56/90/678105690.db2.gz YTEIWWKDLVOLPT-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001081759378 678105807 /nfs/dbraw/zinc/10/58/07/678105807.db2.gz YTEIWWKDLVOLPT-GMTAPVOTSA-N 1 1 313.354 -1.668 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001082376007 678116486 /nfs/dbraw/zinc/11/64/86/678116486.db2.gz YICVAIDVOHTBMU-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cncc(C(N)=O)c1 ZINC001082376007 678116487 /nfs/dbraw/zinc/11/64/87/678116487.db2.gz YICVAIDVOHTBMU-VXGBXAGGSA-N 1 1 308.338 -1.398 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082580783 678118373 /nfs/dbraw/zinc/11/83/73/678118373.db2.gz FKWNZPHUBQUFAR-GMTAPVOTSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN3C[C@H](O)C[C@H]3C1)C2 ZINC000872194884 678139897 /nfs/dbraw/zinc/13/98/97/678139897.db2.gz GYNFTSXVSAYJIF-BCUIYNNISA-N 1 1 322.409 -1.668 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cn4ncnn4)C3)C2)C1=O ZINC001072740867 678162837 /nfs/dbraw/zinc/16/28/37/678162837.db2.gz NDTITBNAUFHWIF-NSHDSACASA-N 1 1 319.369 -1.562 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072736085 678162919 /nfs/dbraw/zinc/16/29/19/678162919.db2.gz BEWVXRGSVQJUAQ-WDEREUQCSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001072746251 678162937 /nfs/dbraw/zinc/16/29/37/678162937.db2.gz BTSJMKCAFRUSQP-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001072746251 678162940 /nfs/dbraw/zinc/16/29/40/678162940.db2.gz BTSJMKCAFRUSQP-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](NC(=O)Cn2cnnn2)[C@@H](C)C1 ZINC001072736100 678163041 /nfs/dbraw/zinc/16/30/41/678163041.db2.gz BIKIBXAYIXZOMW-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072736082 678163084 /nfs/dbraw/zinc/16/30/84/678163084.db2.gz BEWVXRGSVQJUAQ-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO O=C(Cn1ncnn1)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072735608 678163105 /nfs/dbraw/zinc/16/31/05/678163105.db2.gz JINLGWROIJBGTQ-UHFFFAOYSA-N 1 1 319.369 -1.560 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001072741914 678163149 /nfs/dbraw/zinc/16/31/49/678163149.db2.gz KLSAFEWLLMHCJH-NWDGAFQWSA-N 1 1 323.401 -1.022 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1COCCN1C ZINC001074612642 678198224 /nfs/dbraw/zinc/19/82/24/678198224.db2.gz GLJNDZRBSQUXDW-SDDRHHMPSA-N 1 1 323.401 -1.380 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCC(O)(CNC(=O)C(N)=O)CC1 ZINC001074593996 678198344 /nfs/dbraw/zinc/19/83/44/678198344.db2.gz GAWZTZGIDXHEKI-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001074700910 678200876 /nfs/dbraw/zinc/20/08/76/678200876.db2.gz KYVRDPJWDLKMFQ-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2ccncn2)C1 ZINC001058503696 677680922 /nfs/dbraw/zinc/68/09/22/677680922.db2.gz SAMOCNFKIRWNGN-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@@H](NC(=O)c1cn(C)nn1)C1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000969615372 677681337 /nfs/dbraw/zinc/68/13/37/677681337.db2.gz AZZJOUVOTQCSOP-LDYMZIIASA-N 1 1 320.353 -1.330 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)O1 ZINC001083191483 677681351 /nfs/dbraw/zinc/68/13/51/677681351.db2.gz AEJAYAVSANVVNA-NNYUYHANSA-N 1 1 313.354 -2.077 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)O1 ZINC001083191483 677681352 /nfs/dbraw/zinc/68/13/52/677681352.db2.gz AEJAYAVSANVVNA-NNYUYHANSA-N 1 1 313.354 -2.077 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192562 677681455 /nfs/dbraw/zinc/68/14/55/677681455.db2.gz GVLRVDRNVZLHJX-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083194854 677681672 /nfs/dbraw/zinc/68/16/72/677681672.db2.gz ONYLDNBQXZFLOX-MROQNXINSA-N 1 1 311.382 -1.208 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083194854 677681673 /nfs/dbraw/zinc/68/16/73/677681673.db2.gz ONYLDNBQXZFLOX-MROQNXINSA-N 1 1 311.382 -1.208 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970195625 677681829 /nfs/dbraw/zinc/68/18/29/677681829.db2.gz JODAFRHXCZENEG-HRDYMLBCSA-N 1 1 300.315 -3.510 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970195625 677681830 /nfs/dbraw/zinc/68/18/30/677681830.db2.gz JODAFRHXCZENEG-HRDYMLBCSA-N 1 1 300.315 -3.510 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC001022017938 677682455 /nfs/dbraw/zinc/68/24/55/677682455.db2.gz UHYOAVXEQLYPBJ-WRWGMCAJSA-N 1 1 324.381 -1.750 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)O1 ZINC001022017938 677682456 /nfs/dbraw/zinc/68/24/56/677682456.db2.gz UHYOAVXEQLYPBJ-WRWGMCAJSA-N 1 1 324.381 -1.750 20 0 DAADMO CN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971541248 677682663 /nfs/dbraw/zinc/68/26/63/677682663.db2.gz GZOGCFCXBGGBLI-MNOVXSKESA-N 1 1 307.358 -1.564 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000971541245 677682672 /nfs/dbraw/zinc/68/26/72/677682672.db2.gz GZOGCFCXBGGBLI-GHMZBOCLSA-N 1 1 307.358 -1.564 20 0 DAADMO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971541325 677682679 /nfs/dbraw/zinc/68/26/79/677682679.db2.gz HYCJBTCQXLILDK-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971541325 677682680 /nfs/dbraw/zinc/68/26/80/677682680.db2.gz HYCJBTCQXLILDK-LBPRGKRZSA-N 1 1 321.385 -1.172 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083225978 677682804 /nfs/dbraw/zinc/68/28/04/677682804.db2.gz ZFTJXEIJQIDCRW-NWDGAFQWSA-N 1 1 322.365 -1.140 20 0 DAADMO O=C(c1ccncn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083227428 677682869 /nfs/dbraw/zinc/68/28/69/677682869.db2.gz DVJFITSTZSHNQT-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1ccncn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083227428 677682870 /nfs/dbraw/zinc/68/28/70/677682870.db2.gz DVJFITSTZSHNQT-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO CCn1nc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)ccc1=O ZINC001083226185 677682882 /nfs/dbraw/zinc/68/28/82/677682882.db2.gz NXOGVVDTEWWWNZ-QWHCGFSZSA-N 1 1 322.365 -1.219 20 0 DAADMO CCn1nc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)ccc1=O ZINC001083226185 677682883 /nfs/dbraw/zinc/68/28/83/677682883.db2.gz NXOGVVDTEWWWNZ-QWHCGFSZSA-N 1 1 322.365 -1.219 20 0 DAADMO O=C(c1cccnn1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083231380 677682970 /nfs/dbraw/zinc/68/29/70/677682970.db2.gz XAYKPADVBLQAJD-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(c1cccnn1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083231380 677682971 /nfs/dbraw/zinc/68/29/71/677682971.db2.gz XAYKPADVBLQAJD-RWMBFGLXSA-N 1 1 317.349 -1.110 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083234217 677683025 /nfs/dbraw/zinc/68/30/25/677683025.db2.gz RVAWITMQUZADKS-SDDRHHMPSA-N 1 1 319.365 -1.248 20 0 DAADMO O=C(Cc1ncc[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083234217 677683026 /nfs/dbraw/zinc/68/30/26/677683026.db2.gz RVAWITMQUZADKS-SDDRHHMPSA-N 1 1 319.365 -1.248 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCC(=O)NC3=O)[C@H]2C1 ZINC001083242708 677683090 /nfs/dbraw/zinc/68/30/90/677683090.db2.gz UYPLDLSRHFLMNO-WDEREUQCSA-N 1 1 310.354 -1.140 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001058547655 677683202 /nfs/dbraw/zinc/68/32/02/677683202.db2.gz QDZDWNMIHMMLLN-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247999 677683384 /nfs/dbraw/zinc/68/33/84/677683384.db2.gz NDWMJIBTNUAURF-MELADBBJSA-N 1 1 324.425 -1.014 20 0 DAADMO COCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075465020 677683494 /nfs/dbraw/zinc/68/34/94/677683494.db2.gz DLJWTRDSFAYTRE-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO COCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075465020 677683495 /nfs/dbraw/zinc/68/34/95/677683495.db2.gz DLJWTRDSFAYTRE-NWDGAFQWSA-N 1 1 324.381 -1.876 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083262059 677683572 /nfs/dbraw/zinc/68/35/72/677683572.db2.gz ZUFXDLBCCPRTKS-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO CN1C(=O)CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083262059 677683573 /nfs/dbraw/zinc/68/35/73/677683573.db2.gz ZUFXDLBCCPRTKS-FRRDWIJNSA-N 1 1 311.382 -1.099 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075634363 677683662 /nfs/dbraw/zinc/68/36/62/677683662.db2.gz LQPSPADULBOBHE-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)c1=O ZINC001039710128 677683783 /nfs/dbraw/zinc/68/37/83/677683783.db2.gz XFVQCMCBJUZYLD-TXEJJXNPSA-N 1 1 309.370 -1.361 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)c1=O ZINC001039710128 677683784 /nfs/dbraw/zinc/68/37/84/677683784.db2.gz XFVQCMCBJUZYLD-TXEJJXNPSA-N 1 1 309.370 -1.361 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 ZINC001083268618 677684011 /nfs/dbraw/zinc/68/40/11/677684011.db2.gz LCYFSJXHZJAAIG-WDEREUQCSA-N 1 1 310.354 -1.142 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083268829 677684052 /nfs/dbraw/zinc/68/40/52/677684052.db2.gz VXYXVWMSEBQZLJ-VHSXEESVSA-N 1 1 312.326 -2.558 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083268829 677684053 /nfs/dbraw/zinc/68/40/53/677684053.db2.gz VXYXVWMSEBQZLJ-VHSXEESVSA-N 1 1 312.326 -2.558 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083270150 677684139 /nfs/dbraw/zinc/68/41/39/677684139.db2.gz PYDPXWRSIWGOBF-WDEREUQCSA-N 1 1 311.338 -1.961 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083270150 677684140 /nfs/dbraw/zinc/68/41/40/677684140.db2.gz PYDPXWRSIWGOBF-WDEREUQCSA-N 1 1 311.338 -1.961 20 0 DAADMO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)CC1 ZINC001058601523 677684395 /nfs/dbraw/zinc/68/43/95/677684395.db2.gz FXDWIKQFEYNIHJ-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)CC1 ZINC001058601523 677684396 /nfs/dbraw/zinc/68/43/96/677684396.db2.gz FXDWIKQFEYNIHJ-UHFFFAOYSA-N 1 1 324.385 -1.303 20 0 DAADMO CC(C)[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@H]2C1 ZINC001083278090 677684603 /nfs/dbraw/zinc/68/46/03/677684603.db2.gz HOSPFRRCTGPCTI-GRYCIOLGSA-N 1 1 317.411 -1.002 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058638842 677685135 /nfs/dbraw/zinc/68/51/35/677685135.db2.gz KELGTRNTRQQTPR-UHFFFAOYSA-N 1 1 302.375 -1.859 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643413 677685513 /nfs/dbraw/zinc/68/55/13/677685513.db2.gz PCIJHGLYRQDMRL-PHIMTYICSA-N 1 1 314.386 -1.718 20 0 DAADMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1CCC1 ZINC001058643332 677685521 /nfs/dbraw/zinc/68/55/21/677685521.db2.gz LWTDXMRNIXUNEU-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCO)C(=O)C(N)=O)C1 ZINC001058646728 677686000 /nfs/dbraw/zinc/68/60/00/677686000.db2.gz WDSQHKZMGHKOAZ-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)nn1 ZINC001083284308 677686224 /nfs/dbraw/zinc/68/62/24/677686224.db2.gz GBFPKRUVAKANBA-WDEREUQCSA-N 1 1 324.341 -2.719 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)nn1 ZINC001083284308 677686225 /nfs/dbraw/zinc/68/62/25/677686225.db2.gz GBFPKRUVAKANBA-WDEREUQCSA-N 1 1 324.341 -2.719 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707838 677686976 /nfs/dbraw/zinc/68/69/76/677686976.db2.gz PWUXFSOPNMPICR-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO C[NH+](C)CCC(=O)N(CCO)CCNC(=O)Cc1nnc[nH]1 ZINC001058712039 677687083 /nfs/dbraw/zinc/68/70/83/677687083.db2.gz MEDQNDSINFXIKX-UHFFFAOYSA-N 1 1 312.374 -1.764 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O)C1CC1 ZINC001083301265 677687214 /nfs/dbraw/zinc/68/72/14/677687214.db2.gz DBGLQOJCCLCGKU-MNOVXSKESA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C1CCOCC1 ZINC001083303857 677687233 /nfs/dbraw/zinc/68/72/33/677687233.db2.gz UOURLQZSBMUODJ-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C1CCOCC1 ZINC001083303857 677687234 /nfs/dbraw/zinc/68/72/34/677687234.db2.gz UOURLQZSBMUODJ-OLZOCXBDSA-N 1 1 309.370 -1.134 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)Cn1cnnn1 ZINC001075562620 677687677 /nfs/dbraw/zinc/68/76/77/677687677.db2.gz SKAMAIPAQRBUHG-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)CNC(C)=O)C1 ZINC001041210289 677687844 /nfs/dbraw/zinc/68/78/44/677687844.db2.gz ZWIOBUPEWXZODV-UHFFFAOYSA-N 1 1 314.386 -1.846 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058817188 677688050 /nfs/dbraw/zinc/68/80/50/677688050.db2.gz ANAAKTIMRSNNHU-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058817188 677688051 /nfs/dbraw/zinc/68/80/51/677688051.db2.gz ANAAKTIMRSNNHU-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058817188 677688052 /nfs/dbraw/zinc/68/80/52/677688052.db2.gz ANAAKTIMRSNNHU-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001058845307 677688202 /nfs/dbraw/zinc/68/82/02/677688202.db2.gz KRYPVHSGCMWNEG-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058845307 677688203 /nfs/dbraw/zinc/68/82/03/677688203.db2.gz KRYPVHSGCMWNEG-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001058845307 677688204 /nfs/dbraw/zinc/68/82/04/677688204.db2.gz KRYPVHSGCMWNEG-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058845307 677688205 /nfs/dbraw/zinc/68/82/05/677688205.db2.gz KRYPVHSGCMWNEG-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001058845307 677688206 /nfs/dbraw/zinc/68/82/06/677688206.db2.gz KRYPVHSGCMWNEG-NSHDSACASA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2cn[nH]n2)C1 ZINC001058847031 677688304 /nfs/dbraw/zinc/68/83/04/677688304.db2.gz LILZVASWEXUQMA-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058847031 677688305 /nfs/dbraw/zinc/68/83/05/677688305.db2.gz LILZVASWEXUQMA-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNC(=O)c2cnn[nH]2)C1 ZINC001058847031 677688306 /nfs/dbraw/zinc/68/83/06/677688306.db2.gz LILZVASWEXUQMA-LLVKDONJSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058849290 677688324 /nfs/dbraw/zinc/68/83/24/677688324.db2.gz QSQFBZDKQQXOCD-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849290 677688325 /nfs/dbraw/zinc/68/83/25/677688325.db2.gz QSQFBZDKQQXOCD-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058849290 677688326 /nfs/dbraw/zinc/68/83/26/677688326.db2.gz QSQFBZDKQQXOCD-WDEREUQCSA-N 1 1 324.385 -1.447 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058847468 677688346 /nfs/dbraw/zinc/68/83/46/677688346.db2.gz SGULUZBGLKVTMZ-MNOVXSKESA-N 1 1 314.386 -2.003 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)C(N)=O)CC(C)(C)C ZINC001058850682 677688421 /nfs/dbraw/zinc/68/84/21/677688421.db2.gz ZBGVLOBVXOBPCC-UHFFFAOYSA-N 1 1 316.402 -1.613 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)Cn1cncn1 ZINC001058884402 677688779 /nfs/dbraw/zinc/68/87/79/677688779.db2.gz RRIJARWJMSDVCC-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)Cn3cnnn3)[C@@H](O)C2)C1 ZINC001083329353 677690049 /nfs/dbraw/zinc/69/00/49/677690049.db2.gz FLSJEHWOJZBHLF-UTUOFQBUSA-N 1 1 324.385 -1.351 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643961 677690091 /nfs/dbraw/zinc/69/00/91/677690091.db2.gz QVIKZLRTBBCFMD-XQQFMLRXSA-N 1 1 310.398 -1.404 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075643961 677690092 /nfs/dbraw/zinc/69/00/92/677690092.db2.gz QVIKZLRTBBCFMD-XQQFMLRXSA-N 1 1 310.398 -1.404 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001083329199 677690114 /nfs/dbraw/zinc/69/01/14/677690114.db2.gz YSXDEDLTQQYXBP-UPJWGTAASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(NC[C@H]1CC[N@@H+](CCn2cncn2)C1)[C@H]1COC(=O)N1 ZINC001028519263 677690246 /nfs/dbraw/zinc/69/02/46/677690246.db2.gz MACKHWWDIVUPBW-GHMZBOCLSA-N 1 1 308.342 -1.175 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519322 677690272 /nfs/dbraw/zinc/69/02/72/677690272.db2.gz NCQHQQSHIOSNSG-VHSXEESVSA-N 1 1 319.383 -1.423 20 0 DAADMO CS(=O)(=O)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001028519322 677690273 /nfs/dbraw/zinc/69/02/73/677690273.db2.gz NCQHQQSHIOSNSG-VHSXEESVSA-N 1 1 319.383 -1.423 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001028519876 677690416 /nfs/dbraw/zinc/69/04/16/677690416.db2.gz VMDHIENEBZJOFF-MNOVXSKESA-N 1 1 310.354 -1.235 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028520215 677690438 /nfs/dbraw/zinc/69/04/38/677690438.db2.gz YSSORJFTANINJL-ONGXEEELSA-N 1 1 308.342 -1.138 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001028520215 677690439 /nfs/dbraw/zinc/69/04/39/677690439.db2.gz YSSORJFTANINJL-ONGXEEELSA-N 1 1 308.342 -1.138 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1=O ZINC001083340506 677690857 /nfs/dbraw/zinc/69/08/57/677690857.db2.gz JBNFLDQDKXMHQG-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)C1=O ZINC001083340506 677690858 /nfs/dbraw/zinc/69/08/58/677690858.db2.gz JBNFLDQDKXMHQG-UPJWGTAASA-N 1 1 321.381 -1.335 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337370 677690876 /nfs/dbraw/zinc/69/08/76/677690876.db2.gz PEXBEBSDQHDLNF-MNOVXSKESA-N 1 1 321.337 -1.659 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccc[nH]1 ZINC001083337370 677690877 /nfs/dbraw/zinc/69/08/77/677690877.db2.gz PEXBEBSDQHDLNF-MNOVXSKESA-N 1 1 321.337 -1.659 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)n1cccn1 ZINC001083346993 677690972 /nfs/dbraw/zinc/69/09/72/677690972.db2.gz JHUCHIRPGZHBFA-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)n1cccn1 ZINC001083346993 677690973 /nfs/dbraw/zinc/69/09/73/677690973.db2.gz JHUCHIRPGZHBFA-XQQFMLRXSA-N 1 1 319.369 -1.103 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348879 677691118 /nfs/dbraw/zinc/69/11/18/677691118.db2.gz CRUONWWEFNQPPR-ZJUUUORDSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1ccn[nH]1 ZINC001083348879 677691119 /nfs/dbraw/zinc/69/11/19/677691119.db2.gz CRUONWWEFNQPPR-ZJUUUORDSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083350851 677691188 /nfs/dbraw/zinc/69/11/88/677691188.db2.gz DZPWPGYWBMBTEF-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083350851 677691189 /nfs/dbraw/zinc/69/11/89/677691189.db2.gz DZPWPGYWBMBTEF-NEPJUHHUSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083351243 677691254 /nfs/dbraw/zinc/69/12/54/677691254.db2.gz XGISLVFRHBVKQW-ZJUUUORDSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O)c1cn[nH]c1 ZINC001083351243 677691255 /nfs/dbraw/zinc/69/12/55/677691255.db2.gz XGISLVFRHBVKQW-ZJUUUORDSA-N 1 1 322.325 -2.264 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1ccon1 ZINC001083354044 677691421 /nfs/dbraw/zinc/69/14/21/677691421.db2.gz HHDPOSHITNKQGU-UHTWSYAYSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1ccon1 ZINC001083354044 677691422 /nfs/dbraw/zinc/69/14/22/677691422.db2.gz HHDPOSHITNKQGU-UHTWSYAYSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083362769 677691642 /nfs/dbraw/zinc/69/16/42/677691642.db2.gz UQPMETXZFPQBCU-UTUOFQBUSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083362769 677691643 /nfs/dbraw/zinc/69/16/43/677691643.db2.gz UQPMETXZFPQBCU-UTUOFQBUSA-N 1 1 312.370 -1.791 20 0 DAADMO CN(C(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1)C1CC1 ZINC001083368496 677691879 /nfs/dbraw/zinc/69/18/79/677691879.db2.gz OFLONWLVHPETQT-RDBSUJKOSA-N 1 1 324.425 -1.137 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cocn1 ZINC001083370406 677691888 /nfs/dbraw/zinc/69/18/88/677691888.db2.gz RKDUKJQPNYGHBM-LOWVWBTDSA-N 1 1 321.337 -1.293 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1cocn1 ZINC001083370406 677691889 /nfs/dbraw/zinc/69/18/89/677691889.db2.gz RKDUKJQPNYGHBM-LOWVWBTDSA-N 1 1 321.337 -1.293 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001083368189 677691901 /nfs/dbraw/zinc/69/19/01/677691901.db2.gz FROZDSRGPPCSCT-AGIUHOORSA-N 1 1 310.398 -1.480 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368843 677692020 /nfs/dbraw/zinc/69/20/20/677692020.db2.gz YMNLDBXTKJRJSC-UTUOFQBUSA-N 1 1 308.386 -1.429 20 0 DAADMO CN(C(=O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1)C1CC1 ZINC001083368495 677692023 /nfs/dbraw/zinc/69/20/23/677692023.db2.gz OFLONWLVHPETQT-MCIONIFRSA-N 1 1 324.425 -1.137 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083372952 677692070 /nfs/dbraw/zinc/69/20/70/677692070.db2.gz MGEPFWXFJNFQOR-AGIUHOORSA-N 1 1 308.386 -1.466 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC001083372754 677692084 /nfs/dbraw/zinc/69/20/84/677692084.db2.gz CWSHOUYBLSWXFP-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083371806 677692140 /nfs/dbraw/zinc/69/21/40/677692140.db2.gz LPWMKQORJHRJJL-UPJWGTAASA-N 1 1 321.381 -1.598 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)nn1 ZINC001083372600 677692162 /nfs/dbraw/zinc/69/21/62/677692162.db2.gz XVRJUUPGJJPXOR-UPJWGTAASA-N 1 1 308.386 -1.429 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083372243 677692176 /nfs/dbraw/zinc/69/21/76/677692176.db2.gz IBGXAKUSYXPHLO-MNOVXSKESA-N 1 1 317.353 -1.270 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083372243 677692177 /nfs/dbraw/zinc/69/21/77/677692177.db2.gz IBGXAKUSYXPHLO-MNOVXSKESA-N 1 1 317.353 -1.270 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001083375824 677692343 /nfs/dbraw/zinc/69/23/43/677692343.db2.gz RGRIXHFZBDZSER-MXWKQRLJSA-N 1 1 307.354 -1.130 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)nnn1C ZINC001083382114 677692654 /nfs/dbraw/zinc/69/26/54/677692654.db2.gz QWVSEORDBZXNNP-MNOVXSKESA-N 1 1 320.357 -1.810 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)nnn1C ZINC001083382114 677692655 /nfs/dbraw/zinc/69/26/55/677692655.db2.gz QWVSEORDBZXNNP-MNOVXSKESA-N 1 1 320.357 -1.810 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)nnn1C ZINC001083381753 677692692 /nfs/dbraw/zinc/69/26/92/677692692.db2.gz AKUUYMSURXOSOF-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nnn1C ZINC001083381753 677692693 /nfs/dbraw/zinc/69/26/93/677692693.db2.gz AKUUYMSURXOSOF-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1=O ZINC001083382309 677692799 /nfs/dbraw/zinc/69/27/99/677692799.db2.gz ZTRZECOTILRFDR-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)C1=O ZINC001083382309 677692801 /nfs/dbraw/zinc/69/28/01/677692801.db2.gz ZTRZECOTILRFDR-AGIUHOORSA-N 1 1 321.381 -1.266 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)on1 ZINC001083385483 677693011 /nfs/dbraw/zinc/69/30/11/677693011.db2.gz PCKNYYFIOIPPCN-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)on1 ZINC001083385483 677693013 /nfs/dbraw/zinc/69/30/13/677693013.db2.gz PCKNYYFIOIPPCN-HZSPNIEDSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385441 677693017 /nfs/dbraw/zinc/69/30/17/677693017.db2.gz NYMZGFCFHSVAOE-GRYCIOLGSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385441 677693019 /nfs/dbraw/zinc/69/30/19/677693019.db2.gz NYMZGFCFHSVAOE-GRYCIOLGSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385092 677693023 /nfs/dbraw/zinc/69/30/23/677693023.db2.gz DFEUJPGANAMKOY-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1nncc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385092 677693025 /nfs/dbraw/zinc/69/30/25/677693025.db2.gz DFEUJPGANAMKOY-AGIUHOORSA-N 1 1 324.385 -2.193 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)C1 ZINC001083385369 677693141 /nfs/dbraw/zinc/69/31/41/677693141.db2.gz MCBJXHHWVACVPS-GRYCIOLGSA-N 1 1 311.342 -1.939 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(Cc3cnon3)C[C@@H]2O)C1 ZINC001083385369 677693142 /nfs/dbraw/zinc/69/31/42/677693142.db2.gz MCBJXHHWVACVPS-GRYCIOLGSA-N 1 1 311.342 -1.939 20 0 DAADMO Cc1oncc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385016 677693144 /nfs/dbraw/zinc/69/31/44/677693144.db2.gz BKLJPTFSDKRLIF-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1oncc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385016 677693146 /nfs/dbraw/zinc/69/31/46/677693146.db2.gz BKLJPTFSDKRLIF-RDBSUJKOSA-N 1 1 324.381 -1.025 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385126 677693150 /nfs/dbraw/zinc/69/31/50/677693150.db2.gz FASAGOLKXPVWOC-WOPDTQHZSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385126 677693152 /nfs/dbraw/zinc/69/31/52/677693152.db2.gz FASAGOLKXPVWOC-WOPDTQHZSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001028735850 677694099 /nfs/dbraw/zinc/69/40/99/677694099.db2.gz SGJQRBNVYVJVDL-CMPLNLGQSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCNC3=O)C2)nn1 ZINC001028735850 677694100 /nfs/dbraw/zinc/69/41/00/677694100.db2.gz SGJQRBNVYVJVDL-CMPLNLGQSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735249 677694102 /nfs/dbraw/zinc/69/41/02/677694102.db2.gz JDUHGNPNGMKXSM-CMPLNLGQSA-N 1 1 306.370 -1.111 20 0 DAADMO Cn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001028735249 677694103 /nfs/dbraw/zinc/69/41/03/677694103.db2.gz JDUHGNPNGMKXSM-CMPLNLGQSA-N 1 1 306.370 -1.111 20 0 DAADMO O=C(C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001028735788 677694119 /nfs/dbraw/zinc/69/41/19/677694119.db2.gz RMXHRUHSSJPJJY-PWSUYJOCSA-N 1 1 308.382 -1.161 20 0 DAADMO O=C(CN1CN=NC1=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075704643 677694197 /nfs/dbraw/zinc/69/41/97/677694197.db2.gz CSROCNUYNOYMIX-HBNTYKKESA-N 1 1 320.353 -1.595 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001075734343 677694378 /nfs/dbraw/zinc/69/43/78/677694378.db2.gz QNSCOCXLABLYHG-SUZMYJTESA-N 1 1 308.382 -1.129 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)C1 ZINC001075734343 677694379 /nfs/dbraw/zinc/69/43/79/677694379.db2.gz QNSCOCXLABLYHG-SUZMYJTESA-N 1 1 308.382 -1.129 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075753072 677694628 /nfs/dbraw/zinc/69/46/28/677694628.db2.gz ZPBWKIKDTYABLR-GARJFASQSA-N 1 1 310.354 -1.284 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075753072 677694629 /nfs/dbraw/zinc/69/46/29/677694629.db2.gz ZPBWKIKDTYABLR-GARJFASQSA-N 1 1 310.354 -1.284 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)[nH]n1 ZINC001083401291 677694647 /nfs/dbraw/zinc/69/46/47/677694647.db2.gz FOOGJGCWYMIPLP-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)[nH]n1 ZINC001083401291 677694648 /nfs/dbraw/zinc/69/46/48/677694648.db2.gz FOOGJGCWYMIPLP-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n[nH]1 ZINC001083401291 677694649 /nfs/dbraw/zinc/69/46/49/677694649.db2.gz FOOGJGCWYMIPLP-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n[nH]1 ZINC001083401291 677694650 /nfs/dbraw/zinc/69/46/50/677694650.db2.gz FOOGJGCWYMIPLP-OLZOCXBDSA-N 1 1 319.369 -1.286 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083404137 677695009 /nfs/dbraw/zinc/69/50/09/677695009.db2.gz ZGZDCKYMKNSAOR-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1CCNC(=O)C1 ZINC001083404137 677695011 /nfs/dbraw/zinc/69/50/11/677695011.db2.gz ZGZDCKYMKNSAOR-XQQFMLRXSA-N 1 1 321.381 -1.429 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075796804 677696500 /nfs/dbraw/zinc/69/65/00/677696500.db2.gz DRBYWLXLPXSQJN-SDDRHHMPSA-N 1 1 319.369 -1.516 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001075803931 677696772 /nfs/dbraw/zinc/69/67/72/677696772.db2.gz KVEANHJZVRBLPU-WRWGMCAJSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001075803931 677696774 /nfs/dbraw/zinc/69/67/74/677696774.db2.gz KVEANHJZVRBLPU-WRWGMCAJSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083418931 677699239 /nfs/dbraw/zinc/69/92/39/677699239.db2.gz IDNRQSQLYVBHJR-ZJUUUORDSA-N 1 1 322.329 -2.563 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083418931 677699242 /nfs/dbraw/zinc/69/92/42/677699242.db2.gz IDNRQSQLYVBHJR-ZJUUUORDSA-N 1 1 322.329 -2.563 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)c1N ZINC001083420331 677699599 /nfs/dbraw/zinc/69/95/99/677699599.db2.gz YONKSEJGLSBCLL-NEPJUHHUSA-N 1 1 319.369 -1.326 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)c1N ZINC001083420331 677699602 /nfs/dbraw/zinc/69/96/02/677699602.db2.gz YONKSEJGLSBCLL-NEPJUHHUSA-N 1 1 319.369 -1.326 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)c1cncnc1 ZINC001083422324 677700266 /nfs/dbraw/zinc/70/02/66/677700266.db2.gz QJXNAVMSXVKGEG-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cncnc1 ZINC001083422324 677700269 /nfs/dbraw/zinc/70/02/69/677700269.db2.gz QJXNAVMSXVKGEG-NEPJUHHUSA-N 1 1 320.353 -1.723 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029588470 677701577 /nfs/dbraw/zinc/70/15/77/677701577.db2.gz XPAMWQXOQDKCDS-AXFHLTTASA-N 1 1 303.384 -1.654 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001029591512 677701616 /nfs/dbraw/zinc/70/16/16/677701616.db2.gz AJVVBGHQWFZAKL-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001029591512 677701617 /nfs/dbraw/zinc/70/16/17/677701617.db2.gz AJVVBGHQWFZAKL-XQQFMLRXSA-N 1 1 310.398 -1.132 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)nn1 ZINC001029597712 677701656 /nfs/dbraw/zinc/70/16/56/677701656.db2.gz HHRRGYMXBZLHBZ-PHIMTYICSA-N 1 1 322.369 -1.565 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029590004 677701688 /nfs/dbraw/zinc/70/16/88/677701688.db2.gz DAQUTRQZZFYCAX-MJBXVCDLSA-N 1 1 311.382 -1.099 20 0 DAADMO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCOCC2)C1)[C@@H]1CCNC1=O ZINC001029710492 677702548 /nfs/dbraw/zinc/70/25/48/677702548.db2.gz RTVGLEWQZHAXFM-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CC(=O)N2CCC2)C1 ZINC001042573538 677703226 /nfs/dbraw/zinc/70/32/26/677703226.db2.gz LSCZPOPYUZBUIS-ZDUSSCGKSA-N 1 1 310.398 -1.308 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CC(=O)N2CCC2)C1 ZINC001042573538 677703229 /nfs/dbraw/zinc/70/32/29/677703229.db2.gz LSCZPOPYUZBUIS-ZDUSSCGKSA-N 1 1 310.398 -1.308 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075876840 677704328 /nfs/dbraw/zinc/70/43/28/677704328.db2.gz XJVGSBWWULVFJJ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001075876840 677704332 /nfs/dbraw/zinc/70/43/32/677704332.db2.gz XJVGSBWWULVFJJ-GRYCIOLGSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)Cc1nnc[nH]1 ZINC000987317486 677707425 /nfs/dbraw/zinc/70/74/25/677707425.db2.gz HKBCSIXVBXEYIM-IUCAKERBSA-N 1 1 305.346 -1.350 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cn1ncnn1 ZINC000988084598 677709179 /nfs/dbraw/zinc/70/91/79/677709179.db2.gz FGCXSTKXPIVTBX-WOPDTQHZSA-N 1 1 321.385 -1.270 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083433917 677711346 /nfs/dbraw/zinc/71/13/46/677711346.db2.gz JVLDXXFMCXTLJK-MXWKQRLJSA-N 1 1 309.326 -1.847 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083433917 677711349 /nfs/dbraw/zinc/71/13/49/677711349.db2.gz JVLDXXFMCXTLJK-MXWKQRLJSA-N 1 1 309.326 -1.847 20 0 DAADMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)CC(N)=O ZINC000988438461 677712053 /nfs/dbraw/zinc/71/20/53/677712053.db2.gz ZAEWODDRKCFVAV-DTWKUNHWSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)CC(N)=O ZINC000988438469 677712096 /nfs/dbraw/zinc/71/20/96/677712096.db2.gz ZAEWODDRKCFVAV-IUCAKERBSA-N 1 1 307.358 -1.038 20 0 DAADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)CN1C(=O)CC(N)=O ZINC000988438475 677712260 /nfs/dbraw/zinc/71/22/60/677712260.db2.gz ZAEWODDRKCFVAV-RKDXNWHRSA-N 1 1 307.358 -1.038 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083437407 677712595 /nfs/dbraw/zinc/71/25/95/677712595.db2.gz PTJZXAFEPZKION-KOLCDFICSA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083437407 677712597 /nfs/dbraw/zinc/71/25/97/677712597.db2.gz PTJZXAFEPZKION-KOLCDFICSA-N 1 1 306.330 -2.118 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439722 677714205 /nfs/dbraw/zinc/71/42/05/677714205.db2.gz MOFHJGUPBFZUGD-BBBLOLIVSA-N 1 1 310.314 -2.452 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439722 677714206 /nfs/dbraw/zinc/71/42/06/677714206.db2.gz MOFHJGUPBFZUGD-BBBLOLIVSA-N 1 1 310.314 -2.452 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083446155 677715773 /nfs/dbraw/zinc/71/57/73/677715773.db2.gz KHOINHSZYWSHQZ-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083446155 677715774 /nfs/dbraw/zinc/71/57/74/677715774.db2.gz KHOINHSZYWSHQZ-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)c1ncc[nH]1 ZINC001083445940 677715780 /nfs/dbraw/zinc/71/57/80/677715780.db2.gz AYQRAIYBKGNUPA-TUAOUCFPSA-N 1 1 320.353 -1.558 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1ncc[nH]1 ZINC001083450376 677716397 /nfs/dbraw/zinc/71/63/97/677716397.db2.gz QBCHAQKWCNLGCW-MXWKQRLJSA-N 1 1 317.353 -1.036 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001075920329 677717041 /nfs/dbraw/zinc/71/70/41/677717041.db2.gz ALDLZWHSNPSZKO-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001075920329 677717043 /nfs/dbraw/zinc/71/70/43/677717043.db2.gz ALDLZWHSNPSZKO-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455609 677718285 /nfs/dbraw/zinc/71/82/85/677718285.db2.gz KLSGBKAAIQTBAL-UPJWGTAASA-N 1 1 312.414 -1.234 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001083459740 677718349 /nfs/dbraw/zinc/71/83/49/677718349.db2.gz YGINCJFYECUJHS-WCQGTBRESA-N 1 1 323.353 -2.084 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083464207 677720517 /nfs/dbraw/zinc/72/05/17/677720517.db2.gz VIDZFBQDBGHMDU-SFYZADRCSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001083464207 677720520 /nfs/dbraw/zinc/72/05/20/677720520.db2.gz VIDZFBQDBGHMDU-SFYZADRCSA-N 1 1 308.264 -1.213 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001083463787 677720526 /nfs/dbraw/zinc/72/05/26/677720526.db2.gz APGJLEKJILLZQP-UPJWGTAASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083463781 677720741 /nfs/dbraw/zinc/72/07/41/677720741.db2.gz AMONGCCILHFPLE-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083463781 677720746 /nfs/dbraw/zinc/72/07/46/677720746.db2.gz AMONGCCILHFPLE-MNOVXSKESA-N 1 1 306.330 -2.269 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075968288 677722961 /nfs/dbraw/zinc/72/29/61/677722961.db2.gz AOAAWCJOEQFLKG-WDEREUQCSA-N 1 1 322.369 -2.140 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075968288 677722967 /nfs/dbraw/zinc/72/29/67/677722967.db2.gz AOAAWCJOEQFLKG-WDEREUQCSA-N 1 1 322.369 -2.140 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075969313 677723015 /nfs/dbraw/zinc/72/30/15/677723015.db2.gz XSFWRILXUBQHRY-OUAUKWLOSA-N 1 1 322.369 -2.012 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001075969313 677723021 /nfs/dbraw/zinc/72/30/21/677723021.db2.gz XSFWRILXUBQHRY-OUAUKWLOSA-N 1 1 322.369 -2.012 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075960159 677723310 /nfs/dbraw/zinc/72/33/10/677723310.db2.gz WJNORRHCGMDKEP-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001075960159 677723312 /nfs/dbraw/zinc/72/33/12/677723312.db2.gz WJNORRHCGMDKEP-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040270036 677723581 /nfs/dbraw/zinc/72/35/81/677723581.db2.gz ZHTDGEDEOUKOPY-CYBMUJFWSA-N 1 1 310.358 -1.550 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985821 677723790 /nfs/dbraw/zinc/72/37/90/677723790.db2.gz SDXUAFJKJQHPSU-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001075985821 677723792 /nfs/dbraw/zinc/72/37/92/677723792.db2.gz SDXUAFJKJQHPSU-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473573 677724153 /nfs/dbraw/zinc/72/41/53/677724153.db2.gz JIJPGWVHFFUCAQ-MNOVXSKESA-N 1 1 322.369 -1.496 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC(=O)NC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001083472710 677724222 /nfs/dbraw/zinc/72/42/22/677724222.db2.gz MVMZZYXACBMNQZ-ZRJCITRHSA-N 1 1 324.425 -1.234 20 0 DAADMO CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)[nH]n1 ZINC001083477447 677724758 /nfs/dbraw/zinc/72/47/58/677724758.db2.gz PGXLJEIMBZNKIA-RDBSUJKOSA-N 1 1 323.397 -1.056 20 0 DAADMO CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)[nH]n1 ZINC001083477447 677724760 /nfs/dbraw/zinc/72/47/60/677724760.db2.gz PGXLJEIMBZNKIA-RDBSUJKOSA-N 1 1 323.397 -1.056 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001075992617 677724825 /nfs/dbraw/zinc/72/48/25/677724825.db2.gz IXYGNHIYONHOSA-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO C[C@@H](CCNC(=O)CC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001075992617 677724826 /nfs/dbraw/zinc/72/48/26/677724826.db2.gz IXYGNHIYONHOSA-UWVGGRQHSA-N 1 1 300.359 -1.797 20 0 DAADMO O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083478099 677724908 /nfs/dbraw/zinc/72/49/08/677724908.db2.gz UXQLHJIDCDTLQH-OLZOCXBDSA-N 1 1 308.382 -1.085 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083489207 677725744 /nfs/dbraw/zinc/72/57/44/677725744.db2.gz SRULHUUPLUOPEM-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](O)C1 ZINC001083489207 677725746 /nfs/dbraw/zinc/72/57/46/677725746.db2.gz SRULHUUPLUOPEM-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO Cn1ccc(-c2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)no2)n1 ZINC001083490092 677725794 /nfs/dbraw/zinc/72/57/94/677725794.db2.gz NXLLNHMGFSWEOW-NEPJUHHUSA-N 1 1 321.337 -1.158 20 0 DAADMO Cn1ccc(-c2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)no2)n1 ZINC001083490092 677725798 /nfs/dbraw/zinc/72/57/98/677725798.db2.gz NXLLNHMGFSWEOW-NEPJUHHUSA-N 1 1 321.337 -1.158 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc2cc[nH]cc-2c1=O ZINC001083495682 677726938 /nfs/dbraw/zinc/72/69/38/677726938.db2.gz LRUREOBLXDJAOU-OLZOCXBDSA-N 1 1 318.333 -1.310 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2cc[nH]cc-2c1=O ZINC001083495682 677726941 /nfs/dbraw/zinc/72/69/41/677726941.db2.gz LRUREOBLXDJAOU-OLZOCXBDSA-N 1 1 318.333 -1.310 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)C1 ZINC001075999001 677727498 /nfs/dbraw/zinc/72/74/98/677727498.db2.gz QVIGLGKNZREBIJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC(N)=O)C1 ZINC001075999001 677727501 /nfs/dbraw/zinc/72/75/01/677727501.db2.gz QVIGLGKNZREBIJ-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083506141 677728477 /nfs/dbraw/zinc/72/84/77/677728477.db2.gz SFYVDQZMOYKUNQ-NEPJUHHUSA-N 1 1 324.381 -1.636 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506418 677728481 /nfs/dbraw/zinc/72/84/81/677728481.db2.gz GYWBHWFAEYXDRZ-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO COCCN1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504538 677728501 /nfs/dbraw/zinc/72/85/01/677728501.db2.gz FRZPLYVAGBCBDD-UTUOFQBUSA-N 1 1 315.370 -2.365 20 0 DAADMO CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001083504706 677728682 /nfs/dbraw/zinc/72/86/82/677728682.db2.gz MCLYKDBDKSODEP-UTUOFQBUSA-N 1 1 313.398 -1.213 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083506521 677728852 /nfs/dbraw/zinc/72/88/52/677728852.db2.gz LUXHXJXOUSRHEE-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H](O)C1 ZINC001083508148 677729087 /nfs/dbraw/zinc/72/90/87/677729087.db2.gz RYYCPHIMNITUSK-XROYCOCOSA-N 1 1 306.326 -1.491 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCc2ncncc2C1 ZINC001083517139 677729687 /nfs/dbraw/zinc/72/96/87/677729687.db2.gz MQBOZUATVVVMLH-HONMWMINSA-N 1 1 306.366 -1.265 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001083522253 677730297 /nfs/dbraw/zinc/73/02/97/677730297.db2.gz ZPZRDISQOIWASO-UPJWGTAASA-N 1 1 312.414 -1.389 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001083520131 677730452 /nfs/dbraw/zinc/73/04/52/677730452.db2.gz WRKWOPLJVIDRAL-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)o1 ZINC001083520131 677730455 /nfs/dbraw/zinc/73/04/55/677730455.db2.gz WRKWOPLJVIDRAL-OLZOCXBDSA-N 1 1 320.353 -1.021 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](O)C1 ZINC001083527711 677730737 /nfs/dbraw/zinc/73/07/37/677730737.db2.gz GSLFKVCJDRBQPA-NDMJEZRESA-N 1 1 305.338 -1.115 20 0 DAADMO NC(=O)CN1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523374 677731128 /nfs/dbraw/zinc/73/11/28/677731128.db2.gz AVNMZCCNKPSDAS-MXWKQRLJSA-N 1 1 307.354 -1.593 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc2nccnc2c1 ZINC001083527475 677731174 /nfs/dbraw/zinc/73/11/74/677731174.db2.gz VQPKUKCWAAQYHN-NEPJUHHUSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc2nccnc2c1 ZINC001083527475 677731176 /nfs/dbraw/zinc/73/11/76/677731176.db2.gz VQPKUKCWAAQYHN-NEPJUHHUSA-N 1 1 303.322 -1.208 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001083522687 677731181 /nfs/dbraw/zinc/73/11/81/677731181.db2.gz RNWGYZNWBWMBON-OLZOCXBDSA-N 1 1 309.370 -1.037 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529924 677731370 /nfs/dbraw/zinc/73/13/70/677731370.db2.gz OBGUBKYEFIQTNI-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083529924 677731375 /nfs/dbraw/zinc/73/13/75/677731375.db2.gz OBGUBKYEFIQTNI-UTUOFQBUSA-N 1 1 317.361 -1.245 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083530554 677731624 /nfs/dbraw/zinc/73/16/24/677731624.db2.gz TUMCOHBVAQMTTI-MNOVXSKESA-N 1 1 301.343 -2.611 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001076027153 677732066 /nfs/dbraw/zinc/73/20/66/677732066.db2.gz HFAFFOGMFRJGRF-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO CC(=O)NCC(=O)N[C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001076027153 677732068 /nfs/dbraw/zinc/73/20/68/677732068.db2.gz HFAFFOGMFRJGRF-CMPLNLGQSA-N 1 1 314.386 -1.536 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)[C@@H]2C1 ZINC001076022513 677732137 /nfs/dbraw/zinc/73/21/37/677732137.db2.gz IRYAOCLBFPOVGG-WCBMZHEXSA-N 1 1 315.337 -1.016 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)[C@@H]2C1 ZINC001076022513 677732138 /nfs/dbraw/zinc/73/21/38/677732138.db2.gz IRYAOCLBFPOVGG-WCBMZHEXSA-N 1 1 315.337 -1.016 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076009996 677732151 /nfs/dbraw/zinc/73/21/51/677732151.db2.gz GTPSXCYUQRKIJC-SDDRHHMPSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076009996 677732154 /nfs/dbraw/zinc/73/21/54/677732154.db2.gz GTPSXCYUQRKIJC-SDDRHHMPSA-N 1 1 302.396 -1.054 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083536634 677732329 /nfs/dbraw/zinc/73/23/29/677732329.db2.gz BCDIILPTPPIWJZ-CRWXNKLISA-N 1 1 324.381 -1.152 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083536634 677732333 /nfs/dbraw/zinc/73/23/33/677732333.db2.gz BCDIILPTPPIWJZ-CRWXNKLISA-N 1 1 324.381 -1.152 20 0 DAADMO CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1)OC ZINC001083537882 677732480 /nfs/dbraw/zinc/73/24/80/677732480.db2.gz VBNMMHSJUDSHGX-UHTWSYAYSA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001076027568 677732765 /nfs/dbraw/zinc/73/27/65/677732765.db2.gz SHISGLDIGOYSLA-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)c1cn(C)nn1 ZINC001076027568 677732769 /nfs/dbraw/zinc/73/27/69/677732769.db2.gz SHISGLDIGOYSLA-CMPLNLGQSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001076027745 677732890 /nfs/dbraw/zinc/73/28/90/677732890.db2.gz XRWSMWWMKSUIFH-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)c1cnnn1C ZINC001076027745 677732895 /nfs/dbraw/zinc/73/28/95/677732895.db2.gz XRWSMWWMKSUIFH-JQWIXIFHSA-N 1 1 324.385 -1.230 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541284 677733082 /nfs/dbraw/zinc/73/30/82/677733082.db2.gz YBZCGOTWPFGHFS-FOGDFJRCSA-N 1 1 310.354 -1.431 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128448 677734148 /nfs/dbraw/zinc/73/41/48/677734148.db2.gz YFOHJNDLEDLCQL-WDEREUQCSA-N 1 1 309.370 -2.564 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128448 677734152 /nfs/dbraw/zinc/73/41/52/677734152.db2.gz YFOHJNDLEDLCQL-WDEREUQCSA-N 1 1 309.370 -2.564 20 0 DAADMO COCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128118 677734211 /nfs/dbraw/zinc/73/42/11/677734211.db2.gz CQRUGVKQJYGIHM-QWHCGFSZSA-N 1 1 310.398 -1.403 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128309 677734334 /nfs/dbraw/zinc/73/43/34/677734334.db2.gz PELBZCFORKSFAB-SDDRHHMPSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001076128309 677734338 /nfs/dbraw/zinc/73/43/38/677734338.db2.gz PELBZCFORKSFAB-SDDRHHMPSA-N 1 1 323.397 -2.175 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141819 677734543 /nfs/dbraw/zinc/73/45/43/677734543.db2.gz GILONGAAOHGWDC-IVZWLZJFSA-N 1 1 307.358 -1.380 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141819 677734546 /nfs/dbraw/zinc/73/45/46/677734546.db2.gz GILONGAAOHGWDC-IVZWLZJFSA-N 1 1 307.358 -1.380 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001076151140 677734631 /nfs/dbraw/zinc/73/46/31/677734631.db2.gz JKIAFIKWGICHRK-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001076151140 677734633 /nfs/dbraw/zinc/73/46/33/677734633.db2.gz JKIAFIKWGICHRK-SDDRHHMPSA-N 1 1 308.382 -1.257 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141837 677734909 /nfs/dbraw/zinc/73/49/09/677734909.db2.gz GSDPAQZTNORYSH-LPEHRKFASA-N 1 1 307.358 -1.509 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076141837 677734913 /nfs/dbraw/zinc/73/49/13/677734913.db2.gz GSDPAQZTNORYSH-LPEHRKFASA-N 1 1 307.358 -1.509 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076199662 677735553 /nfs/dbraw/zinc/73/55/53/677735553.db2.gz WWNOXTLBMCIVFE-SDDRHHMPSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187752 677735557 /nfs/dbraw/zinc/73/55/57/677735557.db2.gz LFTHXNMXGOFFOF-ATZCPNFKSA-N 1 1 305.338 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001076187752 677735558 /nfs/dbraw/zinc/73/55/58/677735558.db2.gz LFTHXNMXGOFFOF-ATZCPNFKSA-N 1 1 305.338 -1.210 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076248972 677737007 /nfs/dbraw/zinc/73/70/07/677737007.db2.gz NVQYJMHYFZLFLB-WHOHXGKFSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076248972 677737011 /nfs/dbraw/zinc/73/70/11/677737011.db2.gz NVQYJMHYFZLFLB-WHOHXGKFSA-N 1 1 308.382 -1.271 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC001076247092 677737126 /nfs/dbraw/zinc/73/71/26/677737126.db2.gz YEPFWQKTYGQZEN-QNWHQSFQSA-N 1 1 322.409 -1.011 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC001076247092 677737128 /nfs/dbraw/zinc/73/71/28/677737128.db2.gz YEPFWQKTYGQZEN-QNWHQSFQSA-N 1 1 322.409 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355896 677739595 /nfs/dbraw/zinc/73/95/95/677739595.db2.gz KEESZJUUAPBMLR-WCABBAIRSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001076355896 677739596 /nfs/dbraw/zinc/73/95/96/677739596.db2.gz KEESZJUUAPBMLR-WCABBAIRSA-N 1 1 322.365 -1.554 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076356117 677739616 /nfs/dbraw/zinc/73/96/16/677739616.db2.gz VRLWKEXBFFZLND-CMPLNLGQSA-N 1 1 309.366 -1.046 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076397554 677741471 /nfs/dbraw/zinc/74/14/71/677741471.db2.gz SYMHNAKQDATEKH-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076397554 677741473 /nfs/dbraw/zinc/74/14/73/677741473.db2.gz SYMHNAKQDATEKH-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395654 677741691 /nfs/dbraw/zinc/74/16/91/677741691.db2.gz HAKBVQYCRNQPRI-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437816 677741788 /nfs/dbraw/zinc/74/17/88/677741788.db2.gz ZVDNVNYUAWLGMB-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 ZINC001076437816 677741790 /nfs/dbraw/zinc/74/17/90/677741790.db2.gz ZVDNVNYUAWLGMB-VHSXEESVSA-N 1 1 323.353 -2.054 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395695 677741890 /nfs/dbraw/zinc/74/18/90/677741890.db2.gz JAWTWJRGLOIXDM-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076395695 677741893 /nfs/dbraw/zinc/74/18/93/677741893.db2.gz JAWTWJRGLOIXDM-GARJFASQSA-N 1 1 307.358 -1.530 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1=O ZINC001076456322 677742600 /nfs/dbraw/zinc/74/26/00/677742600.db2.gz KKMMWFBUWKTDAY-VHSXEESVSA-N 1 1 323.353 -2.102 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1=O ZINC001076456322 677742601 /nfs/dbraw/zinc/74/26/01/677742601.db2.gz KKMMWFBUWKTDAY-VHSXEESVSA-N 1 1 323.353 -2.102 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001076517091 677742872 /nfs/dbraw/zinc/74/28/72/677742872.db2.gz IAHYEPKIQDHXDX-MJBXVCDLSA-N 1 1 311.382 -1.241 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076444775 677743046 /nfs/dbraw/zinc/74/30/46/677743046.db2.gz SDHRIBPBGAUIIU-WDEREUQCSA-N 1 1 306.370 -1.032 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076444775 677743049 /nfs/dbraw/zinc/74/30/49/677743049.db2.gz SDHRIBPBGAUIIU-WDEREUQCSA-N 1 1 306.370 -1.032 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076508121 677743056 /nfs/dbraw/zinc/74/30/56/677743056.db2.gz KDHZQIFPBAVRMH-YNEHKIRRSA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076508121 677743060 /nfs/dbraw/zinc/74/30/60/677743060.db2.gz KDHZQIFPBAVRMH-YNEHKIRRSA-N 1 1 308.382 -1.127 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541959 677743531 /nfs/dbraw/zinc/74/35/31/677743531.db2.gz ZVAZPPAUUPJUAO-SDDRHHMPSA-N 1 1 306.370 -1.055 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076541959 677743532 /nfs/dbraw/zinc/74/35/32/677743532.db2.gz ZVAZPPAUUPJUAO-SDDRHHMPSA-N 1 1 306.370 -1.055 20 0 DAADMO O=C(Cn1cncn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076541923 677743741 /nfs/dbraw/zinc/74/37/41/677743741.db2.gz YFVJLKYHGYPZAE-SDDRHHMPSA-N 1 1 304.354 -1.301 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)c(=O)n1C ZINC001076519180 677743814 /nfs/dbraw/zinc/74/38/14/677743814.db2.gz SCBZHMDGMFAHIR-QWHCGFSZSA-N 1 1 323.397 -1.195 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)c(=O)n1C ZINC001076519329 677743844 /nfs/dbraw/zinc/74/38/44/677743844.db2.gz ZUPJGCFFQCSHBB-KGYLQXTDSA-N 1 1 323.397 -1.196 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076543967 677743865 /nfs/dbraw/zinc/74/38/65/677743865.db2.gz IGRRUSAXNVDGIL-OUAUKWLOSA-N 1 1 310.354 -1.548 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544091 677743892 /nfs/dbraw/zinc/74/38/92/677743892.db2.gz OUULWTDDZISLRO-DTWKUNHWSA-N 1 1 309.326 -2.444 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001076544091 677743895 /nfs/dbraw/zinc/74/38/95/677743895.db2.gz OUULWTDDZISLRO-DTWKUNHWSA-N 1 1 309.326 -2.444 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1=O ZINC001076565950 677744220 /nfs/dbraw/zinc/74/42/20/677744220.db2.gz FRHYCEQSAJFOPV-WCBMZHEXSA-N 1 1 321.337 -1.883 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)c(=O)[nH]c1=O ZINC001076565950 677744223 /nfs/dbraw/zinc/74/42/23/677744223.db2.gz FRHYCEQSAJFOPV-WCBMZHEXSA-N 1 1 321.337 -1.883 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001076545338 677744242 /nfs/dbraw/zinc/74/42/42/677744242.db2.gz WOXPUYXZCBRXBA-WDEREUQCSA-N 1 1 310.354 -1.595 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c(=O)[nH]c1=O ZINC001076566116 677744255 /nfs/dbraw/zinc/74/42/55/677744255.db2.gz LANMVZGVFZYKSF-GXSJLCMTSA-N 1 1 308.338 -1.376 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076548691 677744392 /nfs/dbraw/zinc/74/43/92/677744392.db2.gz DMECFJBIOFXAMD-GARJFASQSA-N 1 1 310.354 -1.500 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1nnn(C)n1 ZINC001076589743 677744578 /nfs/dbraw/zinc/74/45/78/677744578.db2.gz NDJOGMAQBGWQPO-VHSXEESVSA-N 1 1 309.374 -1.214 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC001076577473 677744692 /nfs/dbraw/zinc/74/46/92/677744692.db2.gz IPMIIYPRNYIJDW-GZMMTYOYSA-N 1 1 305.338 -1.255 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)[C@@H]2C1 ZINC001076577473 677744694 /nfs/dbraw/zinc/74/46/94/677744694.db2.gz IPMIIYPRNYIJDW-GZMMTYOYSA-N 1 1 305.338 -1.255 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)Cn1cnnn1 ZINC001076599932 677744729 /nfs/dbraw/zinc/74/47/29/677744729.db2.gz LXPJAVRRKJGYOX-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581946 677744797 /nfs/dbraw/zinc/74/47/97/677744797.db2.gz DNHLXTWOIIIMPU-LPEHRKFASA-N 1 1 316.383 -2.304 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC001076581946 677744799 /nfs/dbraw/zinc/74/47/99/677744799.db2.gz DNHLXTWOIIIMPU-LPEHRKFASA-N 1 1 316.383 -2.304 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001076599863 677744874 /nfs/dbraw/zinc/74/48/74/677744874.db2.gz ISTKNYBASQWHLQ-ONGXEEELSA-N 1 1 322.369 -1.116 20 0 DAADMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001076576690 677744886 /nfs/dbraw/zinc/74/48/86/677744886.db2.gz WEIADOACEOFCTF-HZSPNIEDSA-N 1 1 324.425 -1.027 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076648952 677746568 /nfs/dbraw/zinc/74/65/68/677746568.db2.gz OXZCQRRWWNUGOP-SDDRHHMPSA-N 1 1 309.366 -1.046 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001076654668 677746644 /nfs/dbraw/zinc/74/66/44/677746644.db2.gz YANMMFQEFRVDNA-HBNTYKKESA-N 1 1 313.354 -1.932 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001076654668 677746646 /nfs/dbraw/zinc/74/66/46/677746646.db2.gz YANMMFQEFRVDNA-HBNTYKKESA-N 1 1 313.354 -1.932 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076648951 677746694 /nfs/dbraw/zinc/74/66/94/677746694.db2.gz OXZCQRRWWNUGOP-QJPTWQEYSA-N 1 1 309.366 -1.046 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001076655003 677746779 /nfs/dbraw/zinc/74/67/79/677746779.db2.gz AXDLWZGHOYCXKX-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O ZINC001076655003 677746783 /nfs/dbraw/zinc/74/67/83/677746783.db2.gz AXDLWZGHOYCXKX-NXEZZACHSA-N 1 1 312.370 -1.112 20 0 DAADMO C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001076649610 677747148 /nfs/dbraw/zinc/74/71/48/677747148.db2.gz RNELPOGDCGHJRE-QWRGUYRKSA-N 1 1 309.374 -1.222 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)Cn1ncnn1 ZINC001076651915 677747481 /nfs/dbraw/zinc/74/74/81/677747481.db2.gz TUGRNKJCXSTODI-JTQLQIEISA-N 1 1 320.357 -1.111 20 0 DAADMO C[C@@H](CCNC(=O)Cn1ncnn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076651355 677747564 /nfs/dbraw/zinc/74/75/64/677747564.db2.gz BUEQMMRHZZJPAG-WDEREUQCSA-N 1 1 309.374 -1.364 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1O ZINC001076656730 677748003 /nfs/dbraw/zinc/74/80/03/677748003.db2.gz FNZWIDCMLLWMKA-QJPTWQEYSA-N 1 1 305.400 -1.551 20 0 DAADMO CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076664234 677748181 /nfs/dbraw/zinc/74/81/81/677748181.db2.gz LJZYZFJMOYTXTP-GHMZBOCLSA-N 1 1 324.381 -1.112 20 0 DAADMO CC1(C)NC(=O)N(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)C1=O ZINC001076664234 677748186 /nfs/dbraw/zinc/74/81/86/677748186.db2.gz LJZYZFJMOYTXTP-GHMZBOCLSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076673138 677749036 /nfs/dbraw/zinc/74/90/36/677749036.db2.gz ZODSFFSKGHUQBE-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(CC1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076673138 677749037 /nfs/dbraw/zinc/74/90/37/677749037.db2.gz ZODSFFSKGHUQBE-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC001076695413 677749254 /nfs/dbraw/zinc/74/92/54/677749254.db2.gz BMGZMGDRPAMMQM-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)c1cnccn1 ZINC001076695413 677749255 /nfs/dbraw/zinc/74/92/55/677749255.db2.gz BMGZMGDRPAMMQM-VXGBXAGGSA-N 1 1 303.326 -1.457 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713320 677750374 /nfs/dbraw/zinc/75/03/74/677750374.db2.gz VQCJNLVIWYYYQK-MVWJERBFSA-N 1 1 308.338 -1.006 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076721995 677751086 /nfs/dbraw/zinc/75/10/86/677751086.db2.gz MXUKRQGCQDEALA-NXEZZACHSA-N 1 1 307.318 -2.874 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076721995 677751088 /nfs/dbraw/zinc/75/10/88/677751088.db2.gz MXUKRQGCQDEALA-NXEZZACHSA-N 1 1 307.318 -2.874 20 0 DAADMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1)C1CCC1 ZINC001076724075 677751565 /nfs/dbraw/zinc/75/15/65/677751565.db2.gz IPJSAXONYGHREZ-UPJWGTAASA-N 1 1 324.385 -1.351 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)cn1 ZINC001076725944 677752078 /nfs/dbraw/zinc/75/20/78/677752078.db2.gz MSIQSENFWDNUKY-VXGBXAGGSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)cn1 ZINC001076725944 677752083 /nfs/dbraw/zinc/75/20/83/677752083.db2.gz MSIQSENFWDNUKY-VXGBXAGGSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076727315 677752441 /nfs/dbraw/zinc/75/24/41/677752441.db2.gz MLAMBMHXPYINFH-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001076727315 677752443 /nfs/dbraw/zinc/75/24/43/677752443.db2.gz MLAMBMHXPYINFH-VXGBXAGGSA-N 1 1 305.342 -1.513 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccn[nH]1 ZINC001076762073 677754619 /nfs/dbraw/zinc/75/46/19/677754619.db2.gz MTQUXYFOLSOMBA-CYZMBNFOSA-N 1 1 320.353 -1.558 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076787321 677757042 /nfs/dbraw/zinc/75/70/42/677757042.db2.gz OJOUSQALLHLTCS-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001076787321 677757044 /nfs/dbraw/zinc/75/70/44/677757044.db2.gz OJOUSQALLHLTCS-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076796406 677757111 /nfs/dbraw/zinc/75/71/11/677757111.db2.gz LJRXAGZMDQQGCK-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001076796406 677757113 /nfs/dbraw/zinc/75/71/13/677757113.db2.gz LJRXAGZMDQQGCK-ZYHUDNBSSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076798288 677757219 /nfs/dbraw/zinc/75/72/19/677757219.db2.gz VQVRBPSGRVGBKB-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076798288 677757221 /nfs/dbraw/zinc/75/72/21/677757221.db2.gz VQVRBPSGRVGBKB-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CCOC1 ZINC001076794175 677757733 /nfs/dbraw/zinc/75/77/33/677757733.db2.gz UQPMETXZFPQBCU-IJLUTSLNSA-N 1 1 312.370 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@@H]1CCOC1 ZINC001076794175 677757737 /nfs/dbraw/zinc/75/77/37/677757737.db2.gz UQPMETXZFPQBCU-IJLUTSLNSA-N 1 1 312.370 -1.791 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001076805349 677757845 /nfs/dbraw/zinc/75/78/45/677757845.db2.gz CWSHOUYBLSWXFP-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1O ZINC001076805588 677758096 /nfs/dbraw/zinc/75/80/96/677758096.db2.gz NDPHEVOXYAMDEF-MGPQQGTHSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC001076805555 677758414 /nfs/dbraw/zinc/75/84/14/677758414.db2.gz MGEPFWXFJNFQOR-FRRDWIJNSA-N 1 1 308.386 -1.466 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)no1 ZINC001076817230 677758904 /nfs/dbraw/zinc/75/89/04/677758904.db2.gz MIANBMVBGJAVQK-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)no1 ZINC001076817230 677758906 /nfs/dbraw/zinc/75/89/06/677758906.db2.gz MIANBMVBGJAVQK-CHWSQXEVSA-N 1 1 320.353 -1.021 20 0 DAADMO Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nc1=O ZINC001076812753 677759628 /nfs/dbraw/zinc/75/96/28/677759628.db2.gz SGLWJXFHVVBQCT-OUAUKWLOSA-N 1 1 324.385 -2.136 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812400 677759878 /nfs/dbraw/zinc/75/98/78/677759878.db2.gz GBUAODAYTLFTGJ-GRYCIOLGSA-N 1 1 308.386 -1.429 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)no1 ZINC001076834493 677761609 /nfs/dbraw/zinc/76/16/09/677761609.db2.gz UDOVVGSOOOLPTF-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001076834493 677761612 /nfs/dbraw/zinc/76/16/12/677761612.db2.gz UDOVVGSOOOLPTF-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761665 /nfs/dbraw/zinc/76/16/65/677761665.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)C1 ZINC001076838970 677761667 /nfs/dbraw/zinc/76/16/67/677761667.db2.gz VCQASSVKALMIFV-MGPQQGTHSA-N 1 1 323.397 -1.625 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076835848 677761736 /nfs/dbraw/zinc/76/17/36/677761736.db2.gz NYMZGFCFHSVAOE-UTUOFQBUSA-N 1 1 324.385 -2.193 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076835848 677761740 /nfs/dbraw/zinc/76/17/40/677761740.db2.gz NYMZGFCFHSVAOE-UTUOFQBUSA-N 1 1 324.385 -2.193 20 0 DAADMO Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001076838534 677761781 /nfs/dbraw/zinc/76/17/81/677761781.db2.gz BWXUNGPNBVQBRN-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO Cc1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001076838534 677761784 /nfs/dbraw/zinc/76/17/84/677761784.db2.gz BWXUNGPNBVQBRN-MCIONIFRSA-N 1 1 324.381 -1.025 20 0 DAADMO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076841182 677762358 /nfs/dbraw/zinc/76/23/58/677762358.db2.gz RQPTUOWBMXKVHT-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CC1CCC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076841182 677762359 /nfs/dbraw/zinc/76/23/59/677762359.db2.gz RQPTUOWBMXKVHT-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1=CCCC1 ZINC001076874856 677763529 /nfs/dbraw/zinc/76/35/29/677763529.db2.gz GEKVEVCLXMTDTK-VXGBXAGGSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C1=CCCC1 ZINC001076874856 677763533 /nfs/dbraw/zinc/76/35/33/677763533.db2.gz GEKVEVCLXMTDTK-VXGBXAGGSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076876557 677763603 /nfs/dbraw/zinc/76/36/03/677763603.db2.gz WKCDQBXIACBWEO-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCNC(=O)C1 ZINC001076876557 677763605 /nfs/dbraw/zinc/76/36/05/677763605.db2.gz WKCDQBXIACBWEO-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(C=C1CCC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076869077 677763796 /nfs/dbraw/zinc/76/37/96/677763796.db2.gz PFVZTTMSYJKOGZ-VXGBXAGGSA-N 1 1 322.365 -1.190 20 0 DAADMO O=C(C=C1CCC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001076869077 677763799 /nfs/dbraw/zinc/76/37/99/677763799.db2.gz PFVZTTMSYJKOGZ-VXGBXAGGSA-N 1 1 322.365 -1.190 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)[nH]n1 ZINC001076867703 677763815 /nfs/dbraw/zinc/76/38/15/677763815.db2.gz FOOGJGCWYMIPLP-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)[nH]n1 ZINC001076867703 677763818 /nfs/dbraw/zinc/76/38/18/677763818.db2.gz FOOGJGCWYMIPLP-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n[nH]1 ZINC001076867703 677763820 /nfs/dbraw/zinc/76/38/20/677763820.db2.gz FOOGJGCWYMIPLP-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n[nH]1 ZINC001076867703 677763821 /nfs/dbraw/zinc/76/38/21/677763821.db2.gz FOOGJGCWYMIPLP-CHWSQXEVSA-N 1 1 319.369 -1.286 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076876556 677763886 /nfs/dbraw/zinc/76/38/86/677763886.db2.gz WKCDQBXIACBWEO-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCNC(=O)C1 ZINC001076876556 677763889 /nfs/dbraw/zinc/76/38/89/677763889.db2.gz WKCDQBXIACBWEO-IJLUTSLNSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555440 677764989 /nfs/dbraw/zinc/76/49/89/677764989.db2.gz HLQGBPGTLFHTNB-JLLWLGSASA-N 1 1 308.338 -1.006 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076909620 677766713 /nfs/dbraw/zinc/76/67/13/677766713.db2.gz JBMTYHUIJIWEPT-IVZWLZJFSA-N 1 1 301.322 -1.107 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001076908976 677768240 /nfs/dbraw/zinc/76/82/40/677768240.db2.gz XMKRPYCPHAEQRX-MGPQQGTHSA-N 1 1 323.397 -1.625 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001076908976 677768242 /nfs/dbraw/zinc/76/82/42/677768242.db2.gz XMKRPYCPHAEQRX-MGPQQGTHSA-N 1 1 323.397 -1.625 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)c1N ZINC001076913019 677769043 /nfs/dbraw/zinc/76/90/43/677769043.db2.gz HGGDFCWUERYLOH-YUSALJHKSA-N 1 1 309.370 -1.186 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C1=CCOCC1 ZINC001076918086 677769286 /nfs/dbraw/zinc/76/92/86/677769286.db2.gz LEOOXVNWMHWPNX-CHWSQXEVSA-N 1 1 307.354 -1.214 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C1=CCOCC1 ZINC001076918086 677769289 /nfs/dbraw/zinc/76/92/89/677769289.db2.gz LEOOXVNWMHWPNX-CHWSQXEVSA-N 1 1 307.354 -1.214 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076932246 677771100 /nfs/dbraw/zinc/77/11/00/677771100.db2.gz OLOGRSXMTVASSX-CHWSQXEVSA-N 1 1 322.369 -2.082 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)C1 ZINC001076932246 677771103 /nfs/dbraw/zinc/77/11/03/677771103.db2.gz OLOGRSXMTVASSX-CHWSQXEVSA-N 1 1 322.369 -2.082 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076938110 677771554 /nfs/dbraw/zinc/77/15/54/677771554.db2.gz MSIAVWWORIWQSK-CHWSQXEVSA-N 1 1 317.353 -1.528 20 0 DAADMO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076938110 677771558 /nfs/dbraw/zinc/77/15/58/677771558.db2.gz MSIAVWWORIWQSK-CHWSQXEVSA-N 1 1 317.353 -1.528 20 0 DAADMO C[C@@H](CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)NC(=O)C(N)=O ZINC001076953297 677772465 /nfs/dbraw/zinc/77/24/65/677772465.db2.gz USMFGVBKPYDAIQ-WDEREUQCSA-N 1 1 324.385 -1.690 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cn1 ZINC001076942642 677772486 /nfs/dbraw/zinc/77/24/86/677772486.db2.gz VPFQNXWLXMMHLV-IJLUTSLNSA-N 1 1 323.353 -1.768 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076961720 677772808 /nfs/dbraw/zinc/77/28/08/677772808.db2.gz BTBZMTNSGWEPMH-VXGBXAGGSA-N 1 1 320.357 -1.635 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001076961720 677772811 /nfs/dbraw/zinc/77/28/11/677772811.db2.gz BTBZMTNSGWEPMH-VXGBXAGGSA-N 1 1 320.357 -1.635 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)o1 ZINC001076962579 677773428 /nfs/dbraw/zinc/77/34/28/677773428.db2.gz YHCHQNFOIYKJCU-VXGBXAGGSA-N 1 1 320.353 -1.021 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2O)o1 ZINC001076962579 677773432 /nfs/dbraw/zinc/77/34/32/677773432.db2.gz YHCHQNFOIYKJCU-VXGBXAGGSA-N 1 1 320.353 -1.021 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ncc[nH]1 ZINC001076971380 677775327 /nfs/dbraw/zinc/77/53/27/677775327.db2.gz AYQRAIYBKGNUPA-QJPTWQEYSA-N 1 1 320.353 -1.558 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001076981611 677775829 /nfs/dbraw/zinc/77/58/29/677775829.db2.gz HLUCLRAYYMFQGQ-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)nn1 ZINC001076981611 677775832 /nfs/dbraw/zinc/77/58/32/677775832.db2.gz HLUCLRAYYMFQGQ-CHWSQXEVSA-N 1 1 317.353 -1.148 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076981652 677775905 /nfs/dbraw/zinc/77/59/05/677775905.db2.gz JDWPHNIWSDWFAT-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076981652 677775910 /nfs/dbraw/zinc/77/59/10/677775910.db2.gz JDWPHNIWSDWFAT-VXGBXAGGSA-N 1 1 319.369 -1.205 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001076975059 677776550 /nfs/dbraw/zinc/77/65/50/677776550.db2.gz TXBGRYNJSRDMQE-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001076975059 677776552 /nfs/dbraw/zinc/77/65/52/677776552.db2.gz TXBGRYNJSRDMQE-GHMZBOCLSA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c1=O ZINC001076989878 677776727 /nfs/dbraw/zinc/77/67/27/677776727.db2.gz OFJYMTOXHPJJND-JHJVBQTASA-N 1 1 309.366 -1.301 20 0 DAADMO O=C(Cc1[nH]nc2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076997681 677776936 /nfs/dbraw/zinc/77/69/36/677776936.db2.gz CSCRYYMRVJRFGR-ZIAGYGMSSA-N 1 1 308.382 -1.015 20 0 DAADMO O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076997681 677776941 /nfs/dbraw/zinc/77/69/41/677776941.db2.gz CSCRYYMRVJRFGR-ZIAGYGMSSA-N 1 1 308.382 -1.015 20 0 DAADMO O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076997681 677776945 /nfs/dbraw/zinc/77/69/45/677776945.db2.gz CSCRYYMRVJRFGR-ZIAGYGMSSA-N 1 1 308.382 -1.015 20 0 DAADMO Cc1cccn(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1=O ZINC001076989654 677777055 /nfs/dbraw/zinc/77/70/55/677777055.db2.gz JMAGILNZBFGVPE-CHWSQXEVSA-N 1 1 309.366 -1.300 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccnn1CC(F)F ZINC001076996835 677777542 /nfs/dbraw/zinc/77/75/42/677777542.db2.gz PXIBGJKQNDOCKH-PSASIEDQSA-N 1 1 304.297 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccnn1CC(F)F ZINC001076996835 677777545 /nfs/dbraw/zinc/77/75/45/677777545.db2.gz PXIBGJKQNDOCKH-PSASIEDQSA-N 1 1 304.297 -1.085 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001621 677777810 /nfs/dbraw/zinc/77/78/10/677777810.db2.gz CJAFIMPBCBIAFT-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077001621 677777815 /nfs/dbraw/zinc/77/78/15/677777815.db2.gz CJAFIMPBCBIAFT-CHWSQXEVSA-N 1 1 317.353 -1.262 20 0 DAADMO CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077001990 677778096 /nfs/dbraw/zinc/77/80/96/677778096.db2.gz WVHNXNGNVJKBAW-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3ncnn3)C2)C1=O ZINC001077001990 677778100 /nfs/dbraw/zinc/77/81/00/677778100.db2.gz WVHNXNGNVJKBAW-GMTAPVOTSA-N 1 1 323.357 -2.545 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077002744 677778135 /nfs/dbraw/zinc/77/81/35/677778135.db2.gz FPOIXWZTWMACHF-QJPTWQEYSA-N 1 1 310.358 -1.597 20 0 DAADMO CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1)C1CCC1 ZINC001077004284 677778967 /nfs/dbraw/zinc/77/89/67/677778967.db2.gz WZEJWEVYDFNXMO-UPJWGTAASA-N 1 1 324.385 -1.351 20 0 DAADMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2O)CC[N@H+]1C ZINC001077026754 677779610 /nfs/dbraw/zinc/77/96/10/677779610.db2.gz INQNAAOOSSGDGX-UMSGYPCISA-N 1 1 312.414 -1.376 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026771 677779747 /nfs/dbraw/zinc/77/97/47/677779747.db2.gz JIJPGWVHFFUCAQ-GHMZBOCLSA-N 1 1 322.369 -1.496 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026699 677779776 /nfs/dbraw/zinc/77/97/76/677779776.db2.gz GIGPGFNIDLDBDZ-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077030693 677779923 /nfs/dbraw/zinc/77/99/23/677779923.db2.gz YYHJOEKADWYJIW-YFCNSXCBSA-N 1 1 324.381 -1.791 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077030693 677779927 /nfs/dbraw/zinc/77/99/27/677779927.db2.gz YYHJOEKADWYJIW-YFCNSXCBSA-N 1 1 324.381 -1.791 20 0 DAADMO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077044722 677780032 /nfs/dbraw/zinc/78/00/32/677780032.db2.gz FWZDYMMDAWLSCQ-FRRDWIJNSA-N 1 1 313.398 -1.069 20 0 DAADMO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077044722 677780034 /nfs/dbraw/zinc/78/00/34/677780034.db2.gz FWZDYMMDAWLSCQ-FRRDWIJNSA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c(c1)NC(=O)C2 ZINC001077049777 677780096 /nfs/dbraw/zinc/78/00/96/677780096.db2.gz LTLGDDPITCVOHD-CHWSQXEVSA-N 1 1 305.334 -1.052 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(c1)NC(=O)C2 ZINC001077049777 677780099 /nfs/dbraw/zinc/78/00/99/677780099.db2.gz LTLGDDPITCVOHD-CHWSQXEVSA-N 1 1 305.334 -1.052 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ncnn3C)C[C@H]2O)CC[N@H+]1C ZINC001077023460 677780119 /nfs/dbraw/zinc/78/01/19/677780119.db2.gz AOYLLHKNZNGLFY-FDYHWXHSSA-N 1 1 322.413 -1.183 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001077039072 677780151 /nfs/dbraw/zinc/78/01/51/677780151.db2.gz PRABQXOPFYOEBM-NXEZZACHSA-N 1 1 310.354 -1.500 20 0 DAADMO CC1(C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)CC1 ZINC001077039072 677780155 /nfs/dbraw/zinc/78/01/55/677780155.db2.gz PRABQXOPFYOEBM-NXEZZACHSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cccn2nnnc12 ZINC001077056500 677780653 /nfs/dbraw/zinc/78/06/53/677780653.db2.gz XNQURVJUONHUJQ-GHMZBOCLSA-N 1 1 306.326 -1.718 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054438 677780681 /nfs/dbraw/zinc/78/06/81/677780681.db2.gz QLBPAXBMBUIHML-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001077054438 677780684 /nfs/dbraw/zinc/78/06/84/677780684.db2.gz QLBPAXBMBUIHML-VXGBXAGGSA-N 1 1 302.396 -1.008 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001077056233 677780844 /nfs/dbraw/zinc/78/08/44/677780844.db2.gz MFQFSXPTGRDYKK-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077065658 677781250 /nfs/dbraw/zinc/78/12/50/677781250.db2.gz OVANLMBGQKQCCW-JHJVBQTASA-N 1 1 309.370 -1.134 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001077093385 677782652 /nfs/dbraw/zinc/78/26/52/677782652.db2.gz LUXHXJXOUSRHEE-VXGBXAGGSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077093445 677782773 /nfs/dbraw/zinc/78/27/73/677782773.db2.gz PFKOJZRWDNPANP-GHMZBOCLSA-N 1 1 323.390 -1.457 20 0 DAADMO O=C(Cn1ccc(C(F)F)n1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077110329 677783614 /nfs/dbraw/zinc/78/36/14/677783614.db2.gz MRUGSRPTFBBUNW-NXEZZACHSA-N 1 1 304.297 -1.026 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCc2ncncc2C1 ZINC001077117111 677783780 /nfs/dbraw/zinc/78/37/80/677783780.db2.gz MQBOZUATVVVMLH-LERXQTSPSA-N 1 1 306.366 -1.265 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)nc1 ZINC001077103316 677784129 /nfs/dbraw/zinc/78/41/29/677784129.db2.gz KPVJCKXUGUDIFR-CHWSQXEVSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(=O)Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)nc1 ZINC001077103316 677784132 /nfs/dbraw/zinc/78/41/32/677784132.db2.gz KPVJCKXUGUDIFR-CHWSQXEVSA-N 1 1 308.338 -1.193 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077132333 677785092 /nfs/dbraw/zinc/78/50/92/677785092.db2.gz UBKDUWBIVBRUTD-YNEHKIRRSA-N 1 1 312.414 -1.104 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077130730 677785097 /nfs/dbraw/zinc/78/50/97/677785097.db2.gz GQCJFAISWUFNNH-IJLUTSLNSA-N 1 1 321.381 -1.332 20 0 DAADMO Cn1c(=O)oc2c1cccc2C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077131042 677785117 /nfs/dbraw/zinc/78/51/17/677785117.db2.gz KTECUURNORVSML-ZYHUDNBSSA-N 1 1 321.333 -1.101 20 0 DAADMO Cn1c(=O)oc2c1cccc2C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077131042 677785119 /nfs/dbraw/zinc/78/51/19/677785119.db2.gz KTECUURNORVSML-ZYHUDNBSSA-N 1 1 321.333 -1.101 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077126915 677785125 /nfs/dbraw/zinc/78/51/25/677785125.db2.gz UTPATRHMCKUAOH-JHJVBQTASA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccncc23)C1 ZINC001077144434 677785570 /nfs/dbraw/zinc/78/55/70/677785570.db2.gz GSLFKVCJDRBQPA-IRUJWGPZSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn2ccncc12 ZINC001077144371 677785581 /nfs/dbraw/zinc/78/55/81/677785581.db2.gz CUCCZDNPEGYWKH-DGCLKSJQSA-N 1 1 305.338 -1.113 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140970 677785667 /nfs/dbraw/zinc/78/56/67/677785667.db2.gz OBGUBKYEFIQTNI-QJPTWQEYSA-N 1 1 317.361 -1.245 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077140970 677785670 /nfs/dbraw/zinc/78/56/70/677785670.db2.gz OBGUBKYEFIQTNI-QJPTWQEYSA-N 1 1 317.361 -1.245 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141021 677786039 /nfs/dbraw/zinc/78/60/39/677786039.db2.gz QSCAHCBAMQHQFP-IJLUTSLNSA-N 1 1 315.370 -1.959 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CNC(=O)c2ccccc21 ZINC001077147594 677786710 /nfs/dbraw/zinc/78/67/10/677786710.db2.gz WHRTYMMHUXMVAB-BFHYXJOUSA-N 1 1 319.361 -1.333 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CNC(=O)c2ccccc21 ZINC001077147594 677786726 /nfs/dbraw/zinc/78/67/26/677786726.db2.gz WHRTYMMHUXMVAB-BFHYXJOUSA-N 1 1 319.361 -1.333 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157451 677787066 /nfs/dbraw/zinc/78/70/66/677787066.db2.gz LEDPJJQBJBZVRI-HBNTYKKESA-N 1 1 312.370 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCNC1=O ZINC001077176164 677788457 /nfs/dbraw/zinc/78/84/57/677788457.db2.gz PXJOWETWCKXBSR-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1CCCNC1=O ZINC001077176164 677788461 /nfs/dbraw/zinc/78/84/61/677788461.db2.gz PXJOWETWCKXBSR-QJPTWQEYSA-N 1 1 322.369 -2.034 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170331 677788762 /nfs/dbraw/zinc/78/87/62/677788762.db2.gz YBZCGOTWPFGHFS-CKYFFXLPSA-N 1 1 310.354 -1.431 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001077193404 677790426 /nfs/dbraw/zinc/79/04/26/677790426.db2.gz CYZBFMDISGQQCP-GHMZBOCLSA-N 1 1 308.338 -1.173 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001077193404 677790429 /nfs/dbraw/zinc/79/04/29/677790429.db2.gz CYZBFMDISGQQCP-GHMZBOCLSA-N 1 1 308.338 -1.173 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)cn1C ZINC001077182077 677790513 /nfs/dbraw/zinc/79/05/13/677790513.db2.gz YLOHXTCBTCFKBX-ZKYQVNSYSA-N 1 1 309.366 -1.151 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cn1C ZINC001077182077 677790516 /nfs/dbraw/zinc/79/05/16/677790516.db2.gz YLOHXTCBTCFKBX-ZKYQVNSYSA-N 1 1 309.366 -1.151 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)cn1C ZINC001077181679 677790578 /nfs/dbraw/zinc/79/05/78/677790578.db2.gz DNXCWSYUBLDJFO-TZMCWYRMSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1C ZINC001077181679 677790580 /nfs/dbraw/zinc/79/05/80/677790580.db2.gz DNXCWSYUBLDJFO-TZMCWYRMSA-N 1 1 309.366 -1.149 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001077199510 677791186 /nfs/dbraw/zinc/79/11/86/677791186.db2.gz SMHGSKHCKSDNRF-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001077199510 677791187 /nfs/dbraw/zinc/79/11/87/677791187.db2.gz SMHGSKHCKSDNRF-GHMZBOCLSA-N 1 1 320.353 -1.146 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077199397 677791195 /nfs/dbraw/zinc/79/11/95/677791195.db2.gz MGLGMWPVCWVUJM-VXGBXAGGSA-N 1 1 318.337 -1.146 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)nc2C1 ZINC001077217912 677791604 /nfs/dbraw/zinc/79/16/04/677791604.db2.gz JLLZQFDZOVVCLF-NQBHXWOUSA-N 1 1 324.381 -1.389 20 0 DAADMO CO[C@@H]1CCn2cc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)nc2C1 ZINC001077217912 677791605 /nfs/dbraw/zinc/79/16/05/677791605.db2.gz JLLZQFDZOVVCLF-NQBHXWOUSA-N 1 1 324.381 -1.389 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001077220049 677791656 /nfs/dbraw/zinc/79/16/56/677791656.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 1 1 301.387 -1.487 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001077220049 677791658 /nfs/dbraw/zinc/79/16/58/677791658.db2.gz CQHMXXGADBGYFR-FDYHWXHSSA-N 1 1 301.387 -1.487 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(=O)[nH]c1C ZINC001077209427 677791707 /nfs/dbraw/zinc/79/17/07/677791707.db2.gz HGYCOYOLHDXFLU-WHGOUJPWSA-N 1 1 310.354 -1.458 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001077237713 677792081 /nfs/dbraw/zinc/79/20/81/677792081.db2.gz QHVMIAXLHFPKTK-GRYCIOLGSA-N 1 1 323.401 -1.644 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237892 677792130 /nfs/dbraw/zinc/79/21/30/677792130.db2.gz UCWVOPJBCWRZAO-JHJVBQTASA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237891 677792293 /nfs/dbraw/zinc/79/22/93/677792293.db2.gz UCWVOPJBCWRZAO-FRRDWIJNSA-N 1 1 322.413 -1.039 20 0 DAADMO Cn1ncc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001077236687 677793295 /nfs/dbraw/zinc/79/32/95/677793295.db2.gz PVUXFEBVSALSHT-MGPQQGTHSA-N 1 1 322.413 -1.039 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2ccccn2c1=O ZINC001077242530 677793307 /nfs/dbraw/zinc/79/33/07/677793307.db2.gz XDLBNUGTIXIGIR-VXGBXAGGSA-N 1 1 318.333 -1.538 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264185 677794291 /nfs/dbraw/zinc/79/42/91/677794291.db2.gz HTTPZTFFRNXWAU-HBNTYKKESA-N 1 1 315.349 -1.509 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260347 677794455 /nfs/dbraw/zinc/79/44/55/677794455.db2.gz CQVYCKYIOIZALI-QJPTWQEYSA-N 1 1 314.386 -2.698 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2cncn2C1 ZINC001077260682 677794497 /nfs/dbraw/zinc/79/44/97/677794497.db2.gz QPUFQVLWSSCTMH-MRVWCRGKSA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1CCc2cncn2C1 ZINC001077260681 677794575 /nfs/dbraw/zinc/79/45/75/677794575.db2.gz QPUFQVLWSSCTMH-IACUBPJLSA-N 1 1 308.382 -1.011 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077260346 677794681 /nfs/dbraw/zinc/79/46/81/677794681.db2.gz CQVYCKYIOIZALI-IJLUTSLNSA-N 1 1 314.386 -2.698 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCn2ccnc2C1 ZINC001077259335 677794786 /nfs/dbraw/zinc/79/47/86/677794786.db2.gz OAPWZNUECQYOMM-JHJVBQTASA-N 1 1 308.382 -1.011 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)CC1=O ZINC001077260814 677794923 /nfs/dbraw/zinc/79/49/23/677794923.db2.gz WXJYWPPBGGNPOE-ZIAGYGMSSA-N 1 1 324.425 -1.278 20 0 DAADMO Cc1nnc2ccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@H]3O)cn12 ZINC001077273974 677795166 /nfs/dbraw/zinc/79/51/66/677795166.db2.gz SJABRNQOKCHGOQ-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nnc2ccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)cn12 ZINC001077273974 677795168 /nfs/dbraw/zinc/79/51/68/677795168.db2.gz SJABRNQOKCHGOQ-VXGBXAGGSA-N 1 1 305.338 -1.195 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077265451 677795350 /nfs/dbraw/zinc/79/53/50/677795350.db2.gz SSYMJGPMQJFGOS-FRRDWIJNSA-N 1 1 301.387 -1.749 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cn[nH]n1 ZINC001077289567 677797010 /nfs/dbraw/zinc/79/70/10/677797010.db2.gz VTWNHUGJSPJIGV-MVWJERBFSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cnn[nH]1 ZINC001077289567 677797011 /nfs/dbraw/zinc/79/70/11/677797011.db2.gz VTWNHUGJSPJIGV-MVWJERBFSA-N 1 1 322.369 -1.504 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cnn[nH]1 ZINC001077289567 677797012 /nfs/dbraw/zinc/79/70/12/677797012.db2.gz VTWNHUGJSPJIGV-MVWJERBFSA-N 1 1 322.369 -1.504 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc(OC)n1 ZINC001077305712 677797958 /nfs/dbraw/zinc/79/79/58/677797958.db2.gz RWBCQJTYLUSXHN-GHMZBOCLSA-N 1 1 311.338 -1.134 20 0 DAADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc(OC)n1 ZINC001077305712 677797961 /nfs/dbraw/zinc/79/79/61/677797961.db2.gz RWBCQJTYLUSXHN-GHMZBOCLSA-N 1 1 311.338 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccc2c(n1)OCCO2 ZINC001077300506 677798723 /nfs/dbraw/zinc/79/87/23/677798723.db2.gz ATGRMGTVPGEBEQ-GHMZBOCLSA-N 1 1 309.322 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccc2c(n1)OCCO2 ZINC001077300506 677798727 /nfs/dbraw/zinc/79/87/27/677798727.db2.gz ATGRMGTVPGEBEQ-GHMZBOCLSA-N 1 1 309.322 -1.380 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001077304638 677798772 /nfs/dbraw/zinc/79/87/72/677798772.db2.gz RJYHIKDAOJJSDT-YUSALJHKSA-N 1 1 310.354 -1.179 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnn2c1OCCC2 ZINC001077304520 677798851 /nfs/dbraw/zinc/79/88/51/677798851.db2.gz MBFDBHSCCWYGOY-VXGBXAGGSA-N 1 1 310.354 -1.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cnc2c(c1)NC(=O)CO2 ZINC001077308738 677798990 /nfs/dbraw/zinc/79/89/90/677798990.db2.gz JPEIEWMLJLWHGL-GHMZBOCLSA-N 1 1 322.321 -1.820 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc2c(c1)NC(=O)CO2 ZINC001077308738 677798991 /nfs/dbraw/zinc/79/89/91/677798991.db2.gz JPEIEWMLJLWHGL-GHMZBOCLSA-N 1 1 322.321 -1.820 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077318593 677799324 /nfs/dbraw/zinc/79/93/24/677799324.db2.gz CVTZKEXNLKSIHT-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077318593 677799330 /nfs/dbraw/zinc/79/93/30/677799330.db2.gz CVTZKEXNLKSIHT-ZYHUDNBSSA-N 1 1 305.342 -1.513 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077321894 677799617 /nfs/dbraw/zinc/79/96/17/677799617.db2.gz RPNDTRRBCCVDHY-VXGBXAGGSA-N 1 1 322.365 -1.090 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cccc2ncnn21 ZINC001077318937 677799753 /nfs/dbraw/zinc/79/97/53/677799753.db2.gz UPKKQHCPICHQMS-ZYHUDNBSSA-N 1 1 305.338 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321639 677799762 /nfs/dbraw/zinc/79/97/62/677799762.db2.gz FXHZESOBAUZPJQ-IVZWLZJFSA-N 1 1 312.326 -2.509 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083573850 677801195 /nfs/dbraw/zinc/80/11/95/677801195.db2.gz WMCVEOGVQMRVGV-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001077378492 677801756 /nfs/dbraw/zinc/80/17/56/677801756.db2.gz UIRCXOLPFTXSAD-YUSALJHKSA-N 1 1 320.353 -1.066 20 0 DAADMO COc1ccnc(OC)c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077372260 677801816 /nfs/dbraw/zinc/80/18/16/677801816.db2.gz BINAAAUWIYIIAW-NXEZZACHSA-N 1 1 311.338 -1.134 20 0 DAADMO COc1ccnc(OC)c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077372260 677801818 /nfs/dbraw/zinc/80/18/18/677801818.db2.gz BINAAAUWIYIIAW-NXEZZACHSA-N 1 1 311.338 -1.134 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001077363285 677801847 /nfs/dbraw/zinc/80/18/47/677801847.db2.gz OKPJYWZOHJXFAM-NXEZZACHSA-N 1 1 306.326 -1.490 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001077363336 677801901 /nfs/dbraw/zinc/80/19/01/677801901.db2.gz QPLLSSIEVVOGBN-FXBDTBDDSA-N 1 1 306.326 -1.491 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001077363337 677802151 /nfs/dbraw/zinc/80/21/51/677802151.db2.gz QPLLSSIEVVOGBN-SZEHBUNVSA-N 1 1 306.326 -1.491 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001077388283 677802378 /nfs/dbraw/zinc/80/23/78/677802378.db2.gz VZHAYUNOGPGVJI-MVWJERBFSA-N 1 1 305.338 -1.115 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)cc1=O ZINC001077389065 677802481 /nfs/dbraw/zinc/80/24/81/677802481.db2.gz IOIQWJPVHRDJRR-MKPLZMMCSA-N 1 1 311.338 -1.461 20 0 DAADMO COc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cc1=O ZINC001077389065 677802487 /nfs/dbraw/zinc/80/24/87/677802487.db2.gz IOIQWJPVHRDJRR-MKPLZMMCSA-N 1 1 311.338 -1.461 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001077392560 677803029 /nfs/dbraw/zinc/80/30/29/677803029.db2.gz GMTSZDDDGFICOE-JHJVBQTASA-N 1 1 321.381 -1.416 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@H]1O ZINC001077395098 677803045 /nfs/dbraw/zinc/80/30/45/677803045.db2.gz SXXOEGYACLZOOE-CHWSQXEVSA-N 1 1 319.369 -1.318 20 0 DAADMO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001077394048 677803221 /nfs/dbraw/zinc/80/32/21/677803221.db2.gz ZOFZIMZWXTZBIZ-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001077394057 677803332 /nfs/dbraw/zinc/80/33/32/677803332.db2.gz ZVLQVWDJNWTCHR-GHMZBOCLSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1nnc2ccccc2n1 ZINC001077396915 677803718 /nfs/dbraw/zinc/80/37/18/677803718.db2.gz AMZLKVAMSJKPKY-VXGBXAGGSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1nnc2ccccc2n1 ZINC001077396915 677803724 /nfs/dbraw/zinc/80/37/24/677803724.db2.gz AMZLKVAMSJKPKY-VXGBXAGGSA-N 1 1 303.322 -1.208 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccnc(N2CCCC2)n1 ZINC001083580544 677804525 /nfs/dbraw/zinc/80/45/25/677804525.db2.gz JXRAQAPXPOKWEO-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc(N2CCCC2)n1 ZINC001083580544 677804526 /nfs/dbraw/zinc/80/45/26/677804526.db2.gz JXRAQAPXPOKWEO-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2cncn2C1 ZINC001083583758 677805180 /nfs/dbraw/zinc/80/51/80/677805180.db2.gz QPUFQVLWSSCTMH-BNOWGMLFSA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2cncn2C1 ZINC001083583759 677805624 /nfs/dbraw/zinc/80/56/24/677805624.db2.gz QPUFQVLWSSCTMH-YUTCNCBUSA-N 1 1 308.382 -1.011 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2nccn2C1 ZINC001083583791 677805690 /nfs/dbraw/zinc/80/56/90/677805690.db2.gz RNPQNVNRTAMYIQ-XQQFMLRXSA-N 1 1 308.382 -1.011 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@@H](O)C1 ZINC001083587061 677805970 /nfs/dbraw/zinc/80/59/70/677805970.db2.gz BHRHHUAWIPUJDH-ONOSFVFSSA-N 1 1 321.337 -1.181 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001083587321 677806060 /nfs/dbraw/zinc/80/60/60/677806060.db2.gz PLVRHTOMYVDDNG-MNOVXSKESA-N 1 1 321.337 -1.179 20 0 DAADMO CC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3ncn(C)c3=O)[C@@H](O)C2)C1 ZINC001083586240 677806094 /nfs/dbraw/zinc/80/60/94/677806094.db2.gz KJSHFYOFUBXMRE-TUUUFIMRSA-N 1 1 323.397 -1.211 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083585739 677806262 /nfs/dbraw/zinc/80/62/62/677806262.db2.gz LJWIENBAAPNQPZ-TUAOUCFPSA-N 1 1 311.386 -1.211 20 0 DAADMO COC(=O)C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)OC ZINC000905708122 677806796 /nfs/dbraw/zinc/80/67/96/677806796.db2.gz ZKWNNRVMRFWEGU-NSHDSACASA-N 1 1 315.370 -1.299 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083592685 677806953 /nfs/dbraw/zinc/80/69/53/677806953.db2.gz MFKKGUDERAYKQO-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1CCC(=O)NC1 ZINC001083592685 677806954 /nfs/dbraw/zinc/80/69/54/677806954.db2.gz MFKKGUDERAYKQO-UTUOFQBUSA-N 1 1 322.369 -2.034 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCCNS(C)(=O)=O)C1 ZINC000905891266 677807495 /nfs/dbraw/zinc/80/74/95/677807495.db2.gz LAVGWRULKYXWSL-UHFFFAOYSA-N 1 1 306.432 -1.465 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083593341 677807652 /nfs/dbraw/zinc/80/76/52/677807652.db2.gz KVBCYNVVNBMQLQ-AGIUHOORSA-N 1 1 312.414 -1.247 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC001083604302 677810083 /nfs/dbraw/zinc/81/00/83/677810083.db2.gz PZBACDQDFWNDAG-MNOVXSKESA-N 1 1 306.322 -1.657 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccnc2c1CC(=O)N2 ZINC001083604302 677810086 /nfs/dbraw/zinc/81/00/86/677810086.db2.gz PZBACDQDFWNDAG-MNOVXSKESA-N 1 1 306.322 -1.657 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccc2c(n1)OCCO2 ZINC001083603036 677810253 /nfs/dbraw/zinc/81/02/53/677810253.db2.gz ATGRMGTVPGEBEQ-MNOVXSKESA-N 1 1 309.322 -1.380 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccc2c(n1)OCCO2 ZINC001083603036 677810254 /nfs/dbraw/zinc/81/02/54/677810254.db2.gz ATGRMGTVPGEBEQ-MNOVXSKESA-N 1 1 309.322 -1.380 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H](O)C1 ZINC001083602490 677810334 /nfs/dbraw/zinc/81/03/34/677810334.db2.gz YMNWTLKBURTHOU-UMNHJUIQSA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnn2c1OCCC2 ZINC001083605209 677810651 /nfs/dbraw/zinc/81/06/51/677810651.db2.gz MBFDBHSCCWYGOY-NEPJUHHUSA-N 1 1 310.354 -1.177 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607531 677810699 /nfs/dbraw/zinc/81/06/99/677810699.db2.gz CJAFHOHRVSCUMS-PWSUYJOCSA-N 1 1 310.354 -1.455 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607531 677810700 /nfs/dbraw/zinc/81/07/00/677810700.db2.gz CJAFHOHRVSCUMS-PWSUYJOCSA-N 1 1 310.354 -1.455 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083617636 677811832 /nfs/dbraw/zinc/81/18/32/677811832.db2.gz VOMDLDHPSRRFCD-MCIONIFRSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083612615 677811862 /nfs/dbraw/zinc/81/18/62/677811862.db2.gz CIOFSZNDVCHRBL-NEPJUHHUSA-N 1 1 322.365 -1.090 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](O)C1 ZINC001083619766 677812041 /nfs/dbraw/zinc/81/20/41/677812041.db2.gz FLCJLFVIBKQXAW-UTUOFQBUSA-N 1 1 314.386 -1.415 20 0 DAADMO NC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083619983 677812168 /nfs/dbraw/zinc/81/21/68/677812168.db2.gz PFQPHZVGTZICNJ-AXFHLTTASA-N 1 1 300.359 -2.069 20 0 DAADMO NC(=O)COc1ccccc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083620477 677812779 /nfs/dbraw/zinc/81/27/79/677812779.db2.gz OLGBQSBTMQDXKB-NEPJUHHUSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)COc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083620477 677812781 /nfs/dbraw/zinc/81/27/81/677812781.db2.gz OLGBQSBTMQDXKB-NEPJUHHUSA-N 1 1 323.349 -1.682 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H](O)C1 ZINC001083629888 677813088 /nfs/dbraw/zinc/81/30/88/677813088.db2.gz QPLLSSIEVVOGBN-SFGNSQDASA-N 1 1 306.326 -1.491 20 0 DAADMO COCCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001083629726 677813106 /nfs/dbraw/zinc/81/31/06/677813106.db2.gz IVTLKKFFEBWURW-OLZOCXBDSA-N 1 1 312.370 -1.313 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077431981 677813197 /nfs/dbraw/zinc/81/31/97/677813197.db2.gz CSCHEKIUIVOWBM-KIJLLGNVSA-N 1 1 300.355 -1.809 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077431981 677813200 /nfs/dbraw/zinc/81/32/00/677813200.db2.gz CSCHEKIUIVOWBM-KIJLLGNVSA-N 1 1 300.355 -1.809 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001077433985 677813785 /nfs/dbraw/zinc/81/37/85/677813785.db2.gz DZMXRSIGEFNMSV-QJPTWQEYSA-N 1 1 323.353 -1.827 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639191 677814246 /nfs/dbraw/zinc/81/42/46/677814246.db2.gz CWBYEOMYTRGUNO-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639191 677814249 /nfs/dbraw/zinc/81/42/49/677814249.db2.gz CWBYEOMYTRGUNO-MNOVXSKESA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639440 677814354 /nfs/dbraw/zinc/81/43/54/677814354.db2.gz PVMZTKHAZPJGQP-JLLWLGSASA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639441 677814420 /nfs/dbraw/zinc/81/44/20/677814420.db2.gz PVMZTKHAZPJGQP-WCQGTBRESA-N 1 1 320.353 -1.066 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CNOC1)C[NH+]1CCOCC1 ZINC000911136633 677815158 /nfs/dbraw/zinc/81/51/58/677815158.db2.gz BCFOMOYBNKXTJV-GHMZBOCLSA-N 1 1 300.359 -1.910 20 0 DAADMO C[C@H](CNC(=O)C(=O)N[C@H]1CNOC1)C[NH+]1CCOCC1 ZINC000911136639 677815323 /nfs/dbraw/zinc/81/53/23/677815323.db2.gz BCFOMOYBNKXTJV-MNOVXSKESA-N 1 1 300.359 -1.910 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)cc1=O ZINC001083642978 677815436 /nfs/dbraw/zinc/81/54/36/677815436.db2.gz LGSHGYCRLFZKMK-KKZNHRDASA-N 1 1 312.322 -1.196 20 0 DAADMO COc1coc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cc1=O ZINC001083642978 677815438 /nfs/dbraw/zinc/81/54/38/677815438.db2.gz LGSHGYCRLFZKMK-KKZNHRDASA-N 1 1 312.322 -1.196 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001083645753 677815915 /nfs/dbraw/zinc/81/59/15/677815915.db2.gz RLSIFDAAACYKED-MNOVXSKESA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001083644914 677815939 /nfs/dbraw/zinc/81/59/39/677815939.db2.gz BWDYWPKNUXBESI-AGIUHOORSA-N 1 1 321.381 -1.369 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083646087 677816033 /nfs/dbraw/zinc/81/60/33/677816033.db2.gz KXBYAVBZVGAJKU-NEPJUHHUSA-N 1 1 319.427 -1.018 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1O ZINC001083645836 677816071 /nfs/dbraw/zinc/81/60/71/677816071.db2.gz WTUYEFHAOBCZHR-MNOVXSKESA-N 1 1 320.357 -1.923 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001083645268 677816081 /nfs/dbraw/zinc/81/60/81/677816081.db2.gz SIULDZYUVNVHPP-NEPJUHHUSA-N 1 1 309.370 -1.559 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645318 677816089 /nfs/dbraw/zinc/81/60/89/677816089.db2.gz VQFCLINCVMGLLC-WOPDTQHZSA-N 1 1 309.370 -1.383 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001083644930 677816157 /nfs/dbraw/zinc/81/61/57/677816157.db2.gz CMHSFXWZSVDQEC-XQQFMLRXSA-N 1 1 323.397 -1.170 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083645714 677816165 /nfs/dbraw/zinc/81/61/65/677816165.db2.gz PFMFLDUPCNWVTD-UTUOFQBUSA-N 1 1 307.354 -1.759 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645317 677816170 /nfs/dbraw/zinc/81/61/70/677816170.db2.gz VQFCLINCVMGLLC-UTUOFQBUSA-N 1 1 309.370 -1.383 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1CCc2nncn2CC1 ZINC001083652840 677817133 /nfs/dbraw/zinc/81/71/33/677817133.db2.gz JHJLORKLENWXSC-XQQFMLRXSA-N 1 1 323.397 -1.226 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCc2nncn2CC1 ZINC001083653058 677817246 /nfs/dbraw/zinc/81/72/46/677817246.db2.gz SRVKCRXNGOFYRC-TUAOUCFPSA-N 1 1 309.370 -1.616 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024784 677817756 /nfs/dbraw/zinc/81/77/56/677817756.db2.gz ISEPBFZIIOFTED-HLTSFMKQSA-N 1 1 311.342 -1.961 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024784 677817759 /nfs/dbraw/zinc/81/77/59/677817759.db2.gz ISEPBFZIIOFTED-HLTSFMKQSA-N 1 1 311.342 -1.961 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083654073 677817871 /nfs/dbraw/zinc/81/78/71/677817871.db2.gz VDVZQNSNCAZISI-UMNHJUIQSA-N 1 1 310.354 -1.410 20 0 DAADMO Cc1nc2n(n1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)CC2 ZINC001083662978 677819211 /nfs/dbraw/zinc/81/92/11/677819211.db2.gz RNFCGEWZGMIYGW-UPJWGTAASA-N 1 1 323.397 -1.307 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CNC(=O)C1 ZINC001083664726 677819836 /nfs/dbraw/zinc/81/98/36/677819836.db2.gz YLPZGLZSQMKJPL-XUJVJEKNSA-N 1 1 321.381 -1.429 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)CNC(=O)C1 ZINC001083664726 677819838 /nfs/dbraw/zinc/81/98/38/677819838.db2.gz YLPZGLZSQMKJPL-XUJVJEKNSA-N 1 1 321.381 -1.429 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001083668063 677821121 /nfs/dbraw/zinc/82/11/21/677821121.db2.gz ZYGREKJUFVBDIX-NEPJUHHUSA-N 1 1 303.326 -1.148 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC000913009223 677821243 /nfs/dbraw/zinc/82/12/43/677821243.db2.gz DEHQOZMUXPARFY-UHFFFAOYSA-N 1 1 304.416 -1.760 20 0 DAADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC000913009562 677821434 /nfs/dbraw/zinc/82/14/34/677821434.db2.gz NQTSUQUJMYTTPQ-GFCCVEGCSA-N 1 1 305.400 -1.407 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1COCCN1CC(F)F ZINC001083670606 677822533 /nfs/dbraw/zinc/82/25/33/677822533.db2.gz GNUBKJTZXOIRBF-MXWKQRLJSA-N 1 1 323.340 -1.894 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1COCCN1CC(F)F ZINC001083670606 677822534 /nfs/dbraw/zinc/82/25/34/677822534.db2.gz GNUBKJTZXOIRBF-MXWKQRLJSA-N 1 1 323.340 -1.894 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C(=O)C1=O ZINC000913552027 677825406 /nfs/dbraw/zinc/82/54/06/677825406.db2.gz DFZBMKFADVGOOD-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO CCN1CCN(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C(=O)C1=O ZINC000913552027 677825409 /nfs/dbraw/zinc/82/54/09/677825409.db2.gz DFZBMKFADVGOOD-NSHDSACASA-N 1 1 312.370 -2.188 20 0 DAADMO O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC000991487122 677826079 /nfs/dbraw/zinc/82/60/79/677826079.db2.gz RRPLTPIONLAWKG-JQWIXIFHSA-N 1 1 322.369 -1.408 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1O ZINC000991489605 677826113 /nfs/dbraw/zinc/82/61/13/677826113.db2.gz WFHYRFBQXIDGEQ-NXEZZACHSA-N 1 1 309.326 -2.245 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnon3)C2)C1 ZINC001040668436 677830442 /nfs/dbraw/zinc/83/04/42/677830442.db2.gz LGWQDBJNMWSYHD-QMTHXVAHSA-N 1 1 323.353 -1.286 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001046000238 677831782 /nfs/dbraw/zinc/83/17/82/677831782.db2.gz NZCMQRNVGQYYES-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001046000238 677831783 /nfs/dbraw/zinc/83/17/83/677831783.db2.gz NZCMQRNVGQYYES-OLZOCXBDSA-N 1 1 310.398 -1.131 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 ZINC001077487764 677832105 /nfs/dbraw/zinc/83/21/05/677832105.db2.gz JOVGFVPGCKVOFG-VXGBXAGGSA-N 1 1 324.381 -1.182 20 0 DAADMO COCC(=O)N1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001045988345 677832175 /nfs/dbraw/zinc/83/21/75/677832175.db2.gz NFALRBWYSICCJQ-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077496393 677832935 /nfs/dbraw/zinc/83/29/35/677832935.db2.gz VDEWDNVPFCPUQK-CHWSQXEVSA-N 1 1 307.350 -1.518 20 0 DAADMO C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077507864 677834123 /nfs/dbraw/zinc/83/41/23/677834123.db2.gz AEIQRIRFIAACLR-IJLUTSLNSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508343 677834359 /nfs/dbraw/zinc/83/43/59/677834359.db2.gz WQNXBIARHJETFQ-QJPTWQEYSA-N 1 1 316.377 -1.672 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508343 677834362 /nfs/dbraw/zinc/83/43/62/677834362.db2.gz WQNXBIARHJETFQ-QJPTWQEYSA-N 1 1 316.377 -1.672 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)nn1-c1nc[nH]n1 ZINC001083685726 677834379 /nfs/dbraw/zinc/83/43/79/677834379.db2.gz ISDYHILLRVEXPJ-ZJUUUORDSA-N 1 1 320.357 -1.123 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077507943 677834507 /nfs/dbraw/zinc/83/45/07/677834507.db2.gz DQTQGOYZWKUPKP-CHWSQXEVSA-N 1 1 310.398 -1.620 20 0 DAADMO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508240 677834755 /nfs/dbraw/zinc/83/47/55/677834755.db2.gz RAPTVPMJURDSNO-JHJVBQTASA-N 1 1 312.414 -1.374 20 0 DAADMO CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508206 677834789 /nfs/dbraw/zinc/83/47/89/677834789.db2.gz PTISNNITCOHWPX-CHWSQXEVSA-N 1 1 312.414 -1.374 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512832 677835412 /nfs/dbraw/zinc/83/54/12/677835412.db2.gz QARMNATXJKHPMO-GMTAPVOTSA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512832 677835416 /nfs/dbraw/zinc/83/54/16/677835416.db2.gz QARMNATXJKHPMO-GMTAPVOTSA-N 1 1 308.342 -2.425 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512974 677835836 /nfs/dbraw/zinc/83/58/36/677835836.db2.gz UWBCDNGAVHOUKO-IJLUTSLNSA-N 1 1 324.406 -1.017 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077512974 677835840 /nfs/dbraw/zinc/83/58/40/677835840.db2.gz UWBCDNGAVHOUKO-IJLUTSLNSA-N 1 1 324.406 -1.017 20 0 DAADMO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)c1C ZINC001083689445 677836438 /nfs/dbraw/zinc/83/64/38/677836438.db2.gz UVDASVNMPWBZJH-XROYCOCOSA-N 1 1 310.354 -1.045 20 0 DAADMO NC(=O)c1ccccc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083691554 677836884 /nfs/dbraw/zinc/83/68/84/677836884.db2.gz VDEWDNVPFCPUQK-OLZOCXBDSA-N 1 1 307.350 -1.518 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077517552 677836990 /nfs/dbraw/zinc/83/69/90/677836990.db2.gz CXNRANJTAWDGJF-DDHJBXDOSA-N 1 1 309.366 -1.047 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001077517552 677836992 /nfs/dbraw/zinc/83/69/92/677836992.db2.gz CXNRANJTAWDGJF-DDHJBXDOSA-N 1 1 309.366 -1.047 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083692393 677837018 /nfs/dbraw/zinc/83/70/18/677837018.db2.gz LKYCCHIYNCVANR-ZJUUUORDSA-N 1 1 323.357 -2.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001083692393 677837019 /nfs/dbraw/zinc/83/70/19/677837019.db2.gz LKYCCHIYNCVANR-ZJUUUORDSA-N 1 1 323.357 -2.087 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083692392 677837087 /nfs/dbraw/zinc/83/70/87/677837087.db2.gz LJJCXDOPBABELW-MNOVXSKESA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083692392 677837089 /nfs/dbraw/zinc/83/70/89/677837089.db2.gz LJJCXDOPBABELW-MNOVXSKESA-N 1 1 322.369 -1.490 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001083695622 677837431 /nfs/dbraw/zinc/83/74/31/677837431.db2.gz KRLPHKQKTVMEPO-GDPRMGEGSA-N 1 1 306.326 -1.720 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697321 677837440 /nfs/dbraw/zinc/83/74/40/677837440.db2.gz RAPTVPMJURDSNO-UPJWGTAASA-N 1 1 312.414 -1.374 20 0 DAADMO CC1CC(C[N@@H+]2C[C@@H](NC(=O)CN3CCNC(=O)C3)[C@@H](O)C2)C1 ZINC001083697435 677837632 /nfs/dbraw/zinc/83/76/32/677837632.db2.gz YICPFXOXGIARCK-PQAZSJQKSA-N 1 1 324.425 -1.374 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001083693702 677837640 /nfs/dbraw/zinc/83/76/40/677837640.db2.gz QTHFJCUTZXVSCX-ZJUUUORDSA-N 1 1 312.326 -2.357 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697114 677837744 /nfs/dbraw/zinc/83/77/44/677837744.db2.gz HUNSDYFFVYKFTD-UTUOFQBUSA-N 1 1 314.386 -2.386 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001083701930 677840157 /nfs/dbraw/zinc/84/01/57/677840157.db2.gz HSRXACBMSRONLJ-KKOKHZNYSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)n1 ZINC001083706236 677841807 /nfs/dbraw/zinc/84/18/07/677841807.db2.gz QZTYLCRWGQGCMC-MXWKQRLJSA-N 1 1 310.358 -1.446 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)C1=O ZINC001083708170 677842187 /nfs/dbraw/zinc/84/21/87/677842187.db2.gz NAFDVYQAMQQBJA-UPJWGTAASA-N 1 1 321.381 -1.477 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001077525484 677843284 /nfs/dbraw/zinc/84/32/84/677843284.db2.gz YTWRMQJFOVQKNE-GHMZBOCLSA-N 1 1 320.357 -2.039 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3nnn(C)n3)C2)cn1 ZINC001077525484 677843287 /nfs/dbraw/zinc/84/32/87/677843287.db2.gz YTWRMQJFOVQKNE-GHMZBOCLSA-N 1 1 320.357 -2.039 20 0 DAADMO C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077525149 677843294 /nfs/dbraw/zinc/84/32/94/677843294.db2.gz HSRXACBMSRONLJ-NNYUYHANSA-N 1 1 324.381 -1.254 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)n1 ZINC001077525097 677843346 /nfs/dbraw/zinc/84/33/46/677843346.db2.gz FMSXMSFRAORETJ-QJPTWQEYSA-N 1 1 324.385 -1.056 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)n1 ZINC001077526404 677843810 /nfs/dbraw/zinc/84/38/10/677843810.db2.gz IGGXQDSXBVEWAJ-HBNTYKKESA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)n1 ZINC001077526404 677843812 /nfs/dbraw/zinc/84/38/12/677843812.db2.gz IGGXQDSXBVEWAJ-HBNTYKKESA-N 1 1 324.385 -1.200 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)n1 ZINC001077526396 677843825 /nfs/dbraw/zinc/84/38/25/677843825.db2.gz HXEAZSSZSWVVLV-VXGBXAGGSA-N 1 1 324.385 -1.198 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)n1 ZINC001077526507 677843850 /nfs/dbraw/zinc/84/38/50/677843850.db2.gz MNLHMGIGQPFDIE-GMTAPVOTSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)n1 ZINC001077526507 677843852 /nfs/dbraw/zinc/84/38/52/677843852.db2.gz MNLHMGIGQPFDIE-GMTAPVOTSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC001077526635 677843933 /nfs/dbraw/zinc/84/39/33/677843933.db2.gz SXIAYSMWKZRBGI-GHMZBOCLSA-N 1 1 310.358 -1.446 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)n1 ZINC001077526635 677843935 /nfs/dbraw/zinc/84/39/35/677843935.db2.gz SXIAYSMWKZRBGI-GHMZBOCLSA-N 1 1 310.358 -1.446 20 0 DAADMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1)C1CCC1 ZINC001077526699 677844301 /nfs/dbraw/zinc/84/43/01/677844301.db2.gz WFLKEAMVWYHUAQ-IJLUTSLNSA-N 1 1 324.385 -1.200 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)C1=O ZINC001083711472 677844462 /nfs/dbraw/zinc/84/44/62/677844462.db2.gz KQHWFCOIMUCAED-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)C1=O ZINC001083711472 677844465 /nfs/dbraw/zinc/84/44/65/677844465.db2.gz KQHWFCOIMUCAED-TUAOUCFPSA-N 1 1 322.369 -2.082 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001083712634 677845166 /nfs/dbraw/zinc/84/51/66/677845166.db2.gz KRKAZYYFLPIXSZ-SCZZXKLOSA-N 1 1 324.366 -1.085 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001083712634 677845169 /nfs/dbraw/zinc/84/51/69/677845169.db2.gz KRKAZYYFLPIXSZ-SCZZXKLOSA-N 1 1 324.366 -1.085 20 0 DAADMO C[C@@]1(NC(=O)c2cnon2)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046716785 677850480 /nfs/dbraw/zinc/85/04/80/677850480.db2.gz NZQLBNYAVVVOPQ-CYBMUJFWSA-N 1 1 322.325 -1.184 20 0 DAADMO C[C@@]1(NC(=O)c2cnon2)CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC001046716785 677850482 /nfs/dbraw/zinc/85/04/82/677850482.db2.gz NZQLBNYAVVVOPQ-CYBMUJFWSA-N 1 1 322.325 -1.184 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H](O)C1 ZINC001083731839 677850669 /nfs/dbraw/zinc/85/06/69/677850669.db2.gz QBGBDTGMZLGZFV-MNOVXSKESA-N 1 1 320.353 -1.215 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740816 677852392 /nfs/dbraw/zinc/85/23/92/677852392.db2.gz PIVSCWVMLFNPLZ-BBBLOLIVSA-N 1 1 309.330 -2.879 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740816 677852395 /nfs/dbraw/zinc/85/23/95/677852395.db2.gz PIVSCWVMLFNPLZ-BBBLOLIVSA-N 1 1 309.330 -2.879 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741428 677853114 /nfs/dbraw/zinc/85/31/14/677853114.db2.gz HZEFWJJLGXKWRD-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741428 677853119 /nfs/dbraw/zinc/85/31/19/677853119.db2.gz HZEFWJJLGXKWRD-XQQFMLRXSA-N 1 1 319.365 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083744007 677854317 /nfs/dbraw/zinc/85/43/17/677854317.db2.gz RORICAWQOMRDDM-UPJWGTAASA-N 1 1 307.350 -1.763 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083744007 677854319 /nfs/dbraw/zinc/85/43/19/677854319.db2.gz RORICAWQOMRDDM-UPJWGTAASA-N 1 1 307.350 -1.763 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083745023 677854970 /nfs/dbraw/zinc/85/49/70/677854970.db2.gz NSCPDNYOEAVPAE-NEPJUHHUSA-N 1 1 311.313 -1.149 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083745023 677854974 /nfs/dbraw/zinc/85/49/74/677854974.db2.gz NSCPDNYOEAVPAE-NEPJUHHUSA-N 1 1 311.313 -1.149 20 0 DAADMO CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744555 677855098 /nfs/dbraw/zinc/85/50/98/677855098.db2.gz RJXJCKWRGUUSTE-MCIONIFRSA-N 1 1 321.377 -1.109 20 0 DAADMO CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001083744556 677855169 /nfs/dbraw/zinc/85/51/69/677855169.db2.gz RJXJCKWRGUUSTE-MJBXVCDLSA-N 1 1 321.377 -1.109 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)[nH]c1=O ZINC001083752775 677856208 /nfs/dbraw/zinc/85/62/08/677856208.db2.gz LAKGNAFFUBDPCJ-KOLCDFICSA-N 1 1 321.341 -1.808 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)[nH]c1=O ZINC001083752775 677856211 /nfs/dbraw/zinc/85/62/11/677856211.db2.gz LAKGNAFFUBDPCJ-KOLCDFICSA-N 1 1 321.341 -1.808 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077557052 677858094 /nfs/dbraw/zinc/85/80/94/677858094.db2.gz UAAWXLAXDBOWQW-VXGBXAGGSA-N 1 1 323.353 -1.596 20 0 DAADMO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001077557052 677858095 /nfs/dbraw/zinc/85/80/95/677858095.db2.gz UAAWXLAXDBOWQW-VXGBXAGGSA-N 1 1 323.353 -1.596 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077559091 677858597 /nfs/dbraw/zinc/85/85/97/677858597.db2.gz XMTOGSVHYSCRNK-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077559091 677858600 /nfs/dbraw/zinc/85/86/00/677858600.db2.gz XMTOGSVHYSCRNK-JHJVBQTASA-N 1 1 321.381 -1.335 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077566788 677859225 /nfs/dbraw/zinc/85/92/25/677859225.db2.gz OABPFVMFFPNTTK-IJLUTSLNSA-N 1 1 314.386 -2.258 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001077566788 677859227 /nfs/dbraw/zinc/85/92/27/677859227.db2.gz OABPFVMFFPNTTK-IJLUTSLNSA-N 1 1 314.386 -2.258 20 0 DAADMO CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047449780 677860993 /nfs/dbraw/zinc/86/09/93/677860993.db2.gz KSXJBCBHKPXTLA-RDBSUJKOSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001077576508 677861822 /nfs/dbraw/zinc/86/18/22/677861822.db2.gz QRRBWGNAWRCKJA-AVPPRXQKSA-N 1 1 321.337 -1.181 20 0 DAADMO CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047486244 677862038 /nfs/dbraw/zinc/86/20/38/677862038.db2.gz GPXNQORFDQHBDT-DCAQKATOSA-N 1 1 302.350 -1.127 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001083779279 677862302 /nfs/dbraw/zinc/86/23/02/677862302.db2.gz UQEJBXZVAXQPLM-MJBXVCDLSA-N 1 1 322.413 -1.076 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1O ZINC001083778495 677862375 /nfs/dbraw/zinc/86/23/75/677862375.db2.gz OIIRUYISXPUASJ-UPJWGTAASA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001083778437 677862465 /nfs/dbraw/zinc/86/24/65/677862465.db2.gz MUQIVSHCBRVNOH-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc(N2CCCC2)ncn1 ZINC001083779998 677862821 /nfs/dbraw/zinc/86/28/21/677862821.db2.gz CSPZCDKQPDGUTL-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc(N2CCCC2)ncn1 ZINC001083779998 677862823 /nfs/dbraw/zinc/86/28/23/677862823.db2.gz CSPZCDKQPDGUTL-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)C1 ZINC001083781556 677863185 /nfs/dbraw/zinc/86/31/85/677863185.db2.gz MNPXIMGEHPNSFN-AGIUHOORSA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3nncn3C)C[C@@H]2O)C1 ZINC001083780825 677863452 /nfs/dbraw/zinc/86/34/52/677863452.db2.gz LSQLPXQNECOJBW-UPJWGTAASA-N 1 1 322.413 -1.182 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)C1 ZINC001083781557 677863489 /nfs/dbraw/zinc/86/34/89/677863489.db2.gz MNPXIMGEHPNSFN-UPJWGTAASA-N 1 1 324.425 -1.232 20 0 DAADMO CN(C(=O)C(N)=O)[C@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001047510316 677863590 /nfs/dbraw/zinc/86/35/90/677863590.db2.gz LMSOWGGWNACOGZ-VWYCJHECSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047527244 677863909 /nfs/dbraw/zinc/86/39/09/677863909.db2.gz YVEYPGNMOHTASX-XWLWVQCSSA-N 1 1 301.343 -2.485 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083783309 677864836 /nfs/dbraw/zinc/86/48/36/677864836.db2.gz KXFPWMMUDFVJCH-XQHKEYJVSA-N 1 1 311.382 -1.304 20 0 DAADMO CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001047631395 677864882 /nfs/dbraw/zinc/86/48/82/677864882.db2.gz ONRKTNLPXQDQAI-WOPDTQHZSA-N 1 1 319.427 -1.162 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001047631349 677864972 /nfs/dbraw/zinc/86/49/72/677864972.db2.gz NKHZCHNPNZLMFQ-VWYCJHECSA-N 1 1 321.399 -2.172 20 0 DAADMO CN(C(=O)CN1CCCCCC1=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047621630 677865090 /nfs/dbraw/zinc/86/50/90/677865090.db2.gz UOZLCXYKSREXOH-STQMWFEESA-N 1 1 313.398 -1.115 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047587835 677865125 /nfs/dbraw/zinc/86/51/25/677865125.db2.gz ABSBINLWYHWFEY-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CC[C@H]1CCCN1C(=O)C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047587835 677865129 /nfs/dbraw/zinc/86/51/29/677865129.db2.gz ABSBINLWYHWFEY-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083783316 677865176 /nfs/dbraw/zinc/86/51/76/677865176.db2.gz LIODAHCQLBMOMH-YTWAJWBKSA-N 1 1 308.342 -2.439 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083783316 677865178 /nfs/dbraw/zinc/86/51/78/677865178.db2.gz LIODAHCQLBMOMH-YTWAJWBKSA-N 1 1 308.342 -2.439 20 0 DAADMO CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1)OC ZINC001077586109 677865859 /nfs/dbraw/zinc/86/58/59/677865859.db2.gz HMKXUYUJEIBLCY-MVWJERBFSA-N 1 1 310.354 -1.030 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083783450 677865942 /nfs/dbraw/zinc/86/59/42/677865942.db2.gz SVRMXCRAXIRTHC-KXNHARMFSA-N 1 1 324.381 -2.109 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083783450 677865947 /nfs/dbraw/zinc/86/59/47/677865947.db2.gz SVRMXCRAXIRTHC-KXNHARMFSA-N 1 1 324.381 -2.109 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077599480 677866946 /nfs/dbraw/zinc/86/69/46/677866946.db2.gz YHRJHECZWRIEJG-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077599480 677866948 /nfs/dbraw/zinc/86/69/48/677866948.db2.gz YHRJHECZWRIEJG-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001077599505 677867513 /nfs/dbraw/zinc/86/75/13/677867513.db2.gz YRZJUXOWEZKCMR-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001077599505 677867515 /nfs/dbraw/zinc/86/75/15/677867515.db2.gz YRZJUXOWEZKCMR-JHJVBQTASA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001077599506 677867787 /nfs/dbraw/zinc/86/77/87/677867787.db2.gz YRZJUXOWEZKCMR-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001077599506 677867789 /nfs/dbraw/zinc/86/77/89/677867789.db2.gz YRZJUXOWEZKCMR-YNEHKIRRSA-N 1 1 319.365 -1.267 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001077606067 677868248 /nfs/dbraw/zinc/86/82/48/677868248.db2.gz RORICAWQOMRDDM-YNEHKIRRSA-N 1 1 307.350 -1.763 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001077606067 677868252 /nfs/dbraw/zinc/86/82/52/677868252.db2.gz RORICAWQOMRDDM-YNEHKIRRSA-N 1 1 307.350 -1.763 20 0 DAADMO CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001077606063 677868318 /nfs/dbraw/zinc/86/83/18/677868318.db2.gz RJXJCKWRGUUSTE-MGPQQGTHSA-N 1 1 321.377 -1.109 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001077606066 677868359 /nfs/dbraw/zinc/86/83/59/677868359.db2.gz RORICAWQOMRDDM-JHJVBQTASA-N 1 1 307.350 -1.763 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001077606066 677868363 /nfs/dbraw/zinc/86/83/63/677868363.db2.gz RORICAWQOMRDDM-JHJVBQTASA-N 1 1 307.350 -1.763 20 0 DAADMO COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077609197 677868876 /nfs/dbraw/zinc/86/88/76/677868876.db2.gz STYIWWKAJOETEM-CHWSQXEVSA-N 1 1 323.349 -1.279 20 0 DAADMO COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)cc1 ZINC001077609197 677868880 /nfs/dbraw/zinc/86/88/80/677868880.db2.gz STYIWWKAJOETEM-CHWSQXEVSA-N 1 1 323.349 -1.279 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)[nH]c1=O ZINC001077619162 677869527 /nfs/dbraw/zinc/86/95/27/677869527.db2.gz BWSNWQGEAIPPOB-HOSYDEDBSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)=NC1=O ZINC001077619162 677869529 /nfs/dbraw/zinc/86/95/29/677869529.db2.gz BWSNWQGEAIPPOB-HOSYDEDBSA-N 1 1 310.354 -1.063 20 0 DAADMO CN1CC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)=NC1=O ZINC001077619162 677869530 /nfs/dbraw/zinc/86/95/30/677869530.db2.gz BWSNWQGEAIPPOB-HOSYDEDBSA-N 1 1 310.354 -1.063 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)NC(=O)C(N)=O ZINC001077620130 677869606 /nfs/dbraw/zinc/86/96/06/677869606.db2.gz WNJYOIBIPSHZAN-BFVXHGPNSA-N 1 1 324.381 -1.654 20 0 DAADMO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C1 ZINC001077651052 677871591 /nfs/dbraw/zinc/87/15/91/677871591.db2.gz PLYUHOCKPBJGBP-RKDXNWHRSA-N 1 1 317.371 -1.760 20 0 DAADMO NC(=O)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC001077651068 677871597 /nfs/dbraw/zinc/87/15/97/677871597.db2.gz QHLPAPDCSHZCRU-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO NC(=O)CCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)cc1 ZINC001077651068 677871599 /nfs/dbraw/zinc/87/15/99/677871599.db2.gz QHLPAPDCSHZCRU-ZIAGYGMSSA-N 1 1 321.377 -1.128 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3cnnn3C)C[C@H]2O)C1 ZINC001077679070 677872767 /nfs/dbraw/zinc/87/27/67/677872767.db2.gz GGLXFLPKEWRICH-MRVWCRGKSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)C1 ZINC001077679387 677872779 /nfs/dbraw/zinc/87/27/79/677872779.db2.gz QBPIWGCTLYFYEQ-YNEHKIRRSA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001077679319 677872785 /nfs/dbraw/zinc/87/27/85/677872785.db2.gz OJUGXLZDTYFKAH-BFHYXJOUSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nncn2C)C[C@H]1O ZINC001077676674 677873129 /nfs/dbraw/zinc/87/31/29/677873129.db2.gz FGDIRKWXVVYCDU-YNEHKIRRSA-N 1 1 322.413 -1.039 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1O ZINC001077676927 677873137 /nfs/dbraw/zinc/87/31/37/677873137.db2.gz QBALUPBAWFOOKB-IJLUTSLNSA-N 1 1 323.401 -1.644 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001077675375 677873309 /nfs/dbraw/zinc/87/33/09/677873309.db2.gz LJXKDVCQTBZQAQ-JHJVBQTASA-N 1 1 312.414 -1.280 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077686284 677873564 /nfs/dbraw/zinc/87/35/64/677873564.db2.gz FZZMOECNMAGWTP-YVECIDJPSA-N 1 1 311.382 -1.162 20 0 DAADMO CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077684324 677873760 /nfs/dbraw/zinc/87/37/60/677873760.db2.gz QIGBBTLTFVGKGM-VXGBXAGGSA-N 1 1 312.414 -1.374 20 0 DAADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)C2 ZINC001077682752 677873824 /nfs/dbraw/zinc/87/38/24/677873824.db2.gz IHFPKNAOEXVHGQ-RAIGVLPGSA-N 1 1 321.381 -1.599 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)C1 ZINC001077685358 677873833 /nfs/dbraw/zinc/87/38/33/677873833.db2.gz MNPXIMGEHPNSFN-FRRDWIJNSA-N 1 1 324.425 -1.232 20 0 DAADMO Cn1c(=O)n2c(c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)CCCC2 ZINC001077680594 677873942 /nfs/dbraw/zinc/87/39/42/677873942.db2.gz OIESDORNAQPHCF-ZYHUDNBSSA-N 1 1 324.381 -1.710 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)C1 ZINC001077685359 677873956 /nfs/dbraw/zinc/87/39/56/677873956.db2.gz MNPXIMGEHPNSFN-JHJVBQTASA-N 1 1 324.425 -1.232 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001077693060 677874180 /nfs/dbraw/zinc/87/41/80/677874180.db2.gz AUTZWXRPOGOPFA-HBNTYKKESA-N 1 1 305.338 -1.115 20 0 DAADMO O=C(Cn1nnc2c1CCCC2)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083785582 677874322 /nfs/dbraw/zinc/87/43/22/677874322.db2.gz IWYNTARBLRUSKY-OCCSQVGLSA-N 1 1 323.397 -1.299 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689446 677874503 /nfs/dbraw/zinc/87/45/03/677874503.db2.gz MHTWSXRYTSIZJA-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001077693059 677874600 /nfs/dbraw/zinc/87/46/00/677874600.db2.gz AUTZWXRPOGOPFA-GMTAPVOTSA-N 1 1 305.338 -1.115 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001077705415 677875513 /nfs/dbraw/zinc/87/55/13/677875513.db2.gz OVAQDYHALKSNIW-QJPTWQEYSA-N 1 1 324.385 -1.567 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[C@H]1CC12CC2 ZINC001077731215 677877420 /nfs/dbraw/zinc/87/74/20/677877420.db2.gz FYLXUBPPHIMDCL-GMTAPVOTSA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)[C@H]1CC12CC2 ZINC001077731215 677877423 /nfs/dbraw/zinc/87/74/23/677877423.db2.gz FYLXUBPPHIMDCL-GMTAPVOTSA-N 1 1 322.365 -1.500 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077745644 677878691 /nfs/dbraw/zinc/87/86/91/677878691.db2.gz VVVYNRRNMBBKOC-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077745644 677878692 /nfs/dbraw/zinc/87/86/92/677878692.db2.gz VVVYNRRNMBBKOC-CHWSQXEVSA-N 1 1 321.381 -1.264 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(=O)c1 ZINC001077759271 677879317 /nfs/dbraw/zinc/87/93/17/677879317.db2.gz OFRQSTUKBDHROU-JHJVBQTASA-N 1 1 309.366 -1.301 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(=O)c1 ZINC001077759272 677879353 /nfs/dbraw/zinc/87/93/53/677879353.db2.gz OFRQSTUKBDHROU-YNEHKIRRSA-N 1 1 309.366 -1.301 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001077765566 677879373 /nfs/dbraw/zinc/87/93/73/677879373.db2.gz UBKCNBBXXQDWCZ-VXGBXAGGSA-N 1 1 324.381 -1.485 20 0 DAADMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077776578 677880859 /nfs/dbraw/zinc/88/08/59/677880859.db2.gz WAUIPRMHUDRGSZ-JHJVBQTASA-N 1 1 312.414 -1.104 20 0 DAADMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077776577 677880932 /nfs/dbraw/zinc/88/09/32/677880932.db2.gz WAUIPRMHUDRGSZ-FRRDWIJNSA-N 1 1 312.414 -1.104 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001077788859 677881281 /nfs/dbraw/zinc/88/12/81/677881281.db2.gz QXKSWHQQYFIJNI-JHJVBQTASA-N 1 1 313.398 -1.213 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001077788859 677881283 /nfs/dbraw/zinc/88/12/83/677881283.db2.gz QXKSWHQQYFIJNI-JHJVBQTASA-N 1 1 313.398 -1.213 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cncc(N2CCCC2)n1 ZINC001077783642 677881400 /nfs/dbraw/zinc/88/14/00/677881400.db2.gz QPYAZWWOBLMCNC-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cncc(N2CCCC2)n1 ZINC001077783642 677881403 /nfs/dbraw/zinc/88/14/03/677881403.db2.gz QPYAZWWOBLMCNC-CHWSQXEVSA-N 1 1 321.381 -1.156 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](O)C1 ZINC001083788479 677881415 /nfs/dbraw/zinc/88/14/15/677881415.db2.gz AUTZWXRPOGOPFA-AXFHLTTASA-N 1 1 305.338 -1.115 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077789977 677881448 /nfs/dbraw/zinc/88/14/48/677881448.db2.gz SCWIYUHZJDYAJF-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077789977 677881452 /nfs/dbraw/zinc/88/14/52/677881452.db2.gz SCWIYUHZJDYAJF-YNEHKIRRSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(NC1CN(C(=O)[C@H]2CCNC2=O)C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000997272871 677882141 /nfs/dbraw/zinc/88/21/41/677882141.db2.gz ADUOHDRWYILTNT-LRDDRELGSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040424062 677882151 /nfs/dbraw/zinc/88/21/51/677882151.db2.gz JIKJGYXODJTLKY-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)n1 ZINC000997745735 677883357 /nfs/dbraw/zinc/88/33/57/677883357.db2.gz ZMGOWCRLGFQDHV-JTQLQIEISA-N 1 1 323.357 -1.353 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ncc1C(N)=O ZINC001083792189 677883386 /nfs/dbraw/zinc/88/33/86/677883386.db2.gz ASYACZQPMHPESA-OLZOCXBDSA-N 1 1 322.365 -1.354 20 0 DAADMO Cn1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)n1 ZINC000997745736 677883472 /nfs/dbraw/zinc/88/34/72/677883472.db2.gz ZMGOWCRLGFQDHV-SNVBAGLBSA-N 1 1 323.357 -1.353 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)S1(=O)=O ZINC001077820853 677884697 /nfs/dbraw/zinc/88/46/97/677884697.db2.gz NPNHECBQZHWEIP-OPRDCNLKSA-N 1 1 307.372 -2.826 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)S1(=O)=O ZINC001077820853 677884699 /nfs/dbraw/zinc/88/46/99/677884699.db2.gz NPNHECBQZHWEIP-OPRDCNLKSA-N 1 1 307.372 -2.826 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077820928 677884945 /nfs/dbraw/zinc/88/49/45/677884945.db2.gz QTAKTZZAOYUVTA-MXWKQRLJSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001077820928 677884949 /nfs/dbraw/zinc/88/49/49/677884949.db2.gz QTAKTZZAOYUVTA-MXWKQRLJSA-N 1 1 321.399 -2.172 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001077826760 677885325 /nfs/dbraw/zinc/88/53/25/677885325.db2.gz RIMMERJZJIRWEP-GHMZBOCLSA-N 1 1 321.337 -1.144 20 0 DAADMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679276 677885917 /nfs/dbraw/zinc/88/59/17/677885917.db2.gz NLRPADBCECEHJA-NWDGAFQWSA-N 1 1 323.397 -1.131 20 0 DAADMO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC000998682916 677885985 /nfs/dbraw/zinc/88/59/85/677885985.db2.gz FTKCPTAJBQYRFQ-JTQLQIEISA-N 1 1 315.399 -1.060 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998679293 677886054 /nfs/dbraw/zinc/88/60/54/677886054.db2.gz QQYNSVQOXZENPZ-MWLCHTKSSA-N 1 1 309.370 -1.521 20 0 DAADMO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CS(C)(=O)=O)C2)nn1 ZINC000998682921 677886236 /nfs/dbraw/zinc/88/62/36/677886236.db2.gz FTKCPTAJBQYRFQ-SNVBAGLBSA-N 1 1 315.399 -1.060 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998679295 677886339 /nfs/dbraw/zinc/88/63/39/677886339.db2.gz QQYNSVQOXZENPZ-ONGXEEELSA-N 1 1 309.370 -1.521 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1ccc2n[nH]c(=O)n2c1 ZINC001077829628 677886720 /nfs/dbraw/zinc/88/67/20/677886720.db2.gz KZBCEIWAZFSLPN-GHMZBOCLSA-N 1 1 321.337 -1.408 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831540 677886861 /nfs/dbraw/zinc/88/68/61/677886861.db2.gz RHBZFWWUAHTJNI-FBIMIBRVSA-N 1 1 313.354 -1.765 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833689 677887217 /nfs/dbraw/zinc/88/72/17/677887217.db2.gz WIYMXTYLXRBWJF-NXEZZACHSA-N 1 1 301.318 -1.440 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833653 677887287 /nfs/dbraw/zinc/88/72/87/677887287.db2.gz UVHACGHMFIEYRD-GMTAPVOTSA-N 1 1 315.345 -1.051 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077833653 677887290 /nfs/dbraw/zinc/88/72/90/677887290.db2.gz UVHACGHMFIEYRD-GMTAPVOTSA-N 1 1 315.345 -1.051 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)cn1 ZINC001077833338 677887379 /nfs/dbraw/zinc/88/73/79/677887379.db2.gz GXLKYWJHNUTIFR-CHWSQXEVSA-N 1 1 319.369 -1.434 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)cn1 ZINC001077833338 677887382 /nfs/dbraw/zinc/88/73/82/677887382.db2.gz GXLKYWJHNUTIFR-CHWSQXEVSA-N 1 1 319.369 -1.434 20 0 DAADMO CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999231852 677888260 /nfs/dbraw/zinc/88/82/60/677888260.db2.gz NKSCEPAACUVLCK-UDNWOFFPSA-N 1 1 322.373 -1.687 20 0 DAADMO CN(C(=O)[C@]1(C)CCC(=O)N1)C1CC([NH2+]Cc2nnnn2C)C1 ZINC000999357215 677889349 /nfs/dbraw/zinc/88/93/49/677889349.db2.gz KIKKHKVNHPYICC-FDZGAKKTSA-N 1 1 321.385 -1.042 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000999574294 677890103 /nfs/dbraw/zinc/89/01/03/677890103.db2.gz USWYPVKPGBVMHT-GHMZBOCLSA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032717823 677891249 /nfs/dbraw/zinc/89/12/49/677891249.db2.gz VFSCLZVVDUNBNH-QWRGUYRKSA-N 1 1 310.354 -1.404 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000999890759 677892441 /nfs/dbraw/zinc/89/24/41/677892441.db2.gz IUHAKUXSBGASTC-IINYFYTJSA-N 1 1 322.409 -1.011 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000999897053 677892563 /nfs/dbraw/zinc/89/25/63/677892563.db2.gz XFUOLGCRYLMEOW-NSHDSACASA-N 1 1 323.397 -1.273 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)NC1=O ZINC000999890939 677892584 /nfs/dbraw/zinc/89/25/84/677892584.db2.gz ORTBHYGVTCHNBU-GHMZBOCLSA-N 1 1 321.385 -1.081 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999878281 677893206 /nfs/dbraw/zinc/89/32/06/677893206.db2.gz BSNNBGYXIAGCIZ-NXEZZACHSA-N 1 1 307.358 -1.573 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)c1ccncn1 ZINC001077865729 677893626 /nfs/dbraw/zinc/89/36/26/677893626.db2.gz FABYDDRICNJIEQ-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)c1ccncn1 ZINC001077865729 677893627 /nfs/dbraw/zinc/89/36/27/677893627.db2.gz FABYDDRICNJIEQ-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cn1 ZINC001077868997 677893641 /nfs/dbraw/zinc/89/36/41/677893641.db2.gz JSTYVTJDZZOLOE-VXGBXAGGSA-N 1 1 306.326 -1.179 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnon3)C2)cn1 ZINC001077868997 677893643 /nfs/dbraw/zinc/89/36/43/677893643.db2.gz JSTYVTJDZZOLOE-VXGBXAGGSA-N 1 1 306.326 -1.179 20 0 DAADMO CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001077853106 677894167 /nfs/dbraw/zinc/89/41/67/677894167.db2.gz KYUAAEDTBMGTGL-KIDURHIOSA-N 1 1 324.381 -1.254 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853769 677894312 /nfs/dbraw/zinc/89/43/12/677894312.db2.gz YTWYYPKRNGTGSI-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853769 677894316 /nfs/dbraw/zinc/89/43/16/677894316.db2.gz YTWYYPKRNGTGSI-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853770 677894472 /nfs/dbraw/zinc/89/44/72/677894472.db2.gz YTWYYPKRNGTGSI-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853770 677894476 /nfs/dbraw/zinc/89/44/76/677894476.db2.gz YTWYYPKRNGTGSI-OPRDCNLKSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@@H](CCNC(=O)c1nnn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077879577 677896561 /nfs/dbraw/zinc/89/65/61/677896561.db2.gz MQBRICYTYMNBDA-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cncn1 ZINC001032724483 677896839 /nfs/dbraw/zinc/89/68/39/677896839.db2.gz WXIGCINVQRCHAD-QWRGUYRKSA-N 1 1 302.342 -1.076 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cncn1 ZINC001032724483 677896841 /nfs/dbraw/zinc/89/68/41/677896841.db2.gz WXIGCINVQRCHAD-QWRGUYRKSA-N 1 1 302.342 -1.076 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2nnc[nH]2)C1=O ZINC001032724378 677896914 /nfs/dbraw/zinc/89/69/14/677896914.db2.gz SUPSIFARWPKHPI-DCAQKATOSA-N 1 1 304.354 -1.137 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077956157 677900078 /nfs/dbraw/zinc/90/00/78/677900078.db2.gz SOLKDFSWAFZDAM-IVZWLZJFSA-N 1 1 314.342 -2.530 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077953730 677900415 /nfs/dbraw/zinc/90/04/15/677900415.db2.gz KDYRLWQWOPGRER-GHMZBOCLSA-N 1 1 312.370 -1.254 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077962873 677900665 /nfs/dbraw/zinc/90/06/65/677900665.db2.gz UVOZHPFXZUAOIW-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077962873 677900668 /nfs/dbraw/zinc/90/06/68/677900668.db2.gz UVOZHPFXZUAOIW-JHJVBQTASA-N 1 1 313.398 -1.069 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077976587 677901757 /nfs/dbraw/zinc/90/17/57/677901757.db2.gz LSWWXGYJHGCQPC-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077976587 677901763 /nfs/dbraw/zinc/90/17/63/677901763.db2.gz LSWWXGYJHGCQPC-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077976587 677901767 /nfs/dbraw/zinc/90/17/67/677901767.db2.gz LSWWXGYJHGCQPC-QJPTWQEYSA-N 1 1 309.370 -1.065 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994414 677902354 /nfs/dbraw/zinc/90/23/54/677902354.db2.gz HUFDXEMLGIVMMF-NXEZZACHSA-N 1 1 314.342 -2.312 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)C1=O ZINC001077994449 677902453 /nfs/dbraw/zinc/90/24/53/677902453.db2.gz JTLCUQXVCBCPEJ-VXGBXAGGSA-N 1 1 324.381 -1.158 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994423 677902615 /nfs/dbraw/zinc/90/26/15/677902615.db2.gz IGVLSFMHIMVBJG-GHMZBOCLSA-N 1 1 312.370 -1.302 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001077999743 677903022 /nfs/dbraw/zinc/90/30/22/677903022.db2.gz YDIWFTBKRQKSDP-GHMZBOCLSA-N 1 1 318.337 -1.398 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001078000775 677903477 /nfs/dbraw/zinc/90/34/77/677903477.db2.gz PCIPZZKVGVTWQU-GHMZBOCLSA-N 1 1 320.353 -1.152 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CC(=O)N3CCC3)C[C@H]2O)C1 ZINC001078006094 677904218 /nfs/dbraw/zinc/90/42/18/677904218.db2.gz RXVGYQBPNIPEMX-MGPQQGTHSA-N 1 1 324.425 -1.278 20 0 DAADMO Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006299 677904528 /nfs/dbraw/zinc/90/45/28/677904528.db2.gz YSKDXNKRBVOMAP-QJPTWQEYSA-N 1 1 323.401 -1.787 20 0 DAADMO Cn1cnnc1CN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006281 677904546 /nfs/dbraw/zinc/90/45/46/677904546.db2.gz YIOPVHOAYXHKRC-YNEHKIRRSA-N 1 1 322.413 -1.182 20 0 DAADMO Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001078006173 677904598 /nfs/dbraw/zinc/90/45/98/677904598.db2.gz VERPEJRYIRQCDC-IACUBPJLSA-N 1 1 322.413 -1.182 20 0 DAADMO Cn1nnnc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782163 677904919 /nfs/dbraw/zinc/90/49/19/677904919.db2.gz WQZADYUAJDLWMB-WOPDTQHZSA-N 1 1 305.386 -1.053 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)cn1 ZINC001078092298 677909192 /nfs/dbraw/zinc/90/91/92/677909192.db2.gz IWHUSDYHPYLBPS-CYZMBNFOSA-N 1 1 312.370 -1.315 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001078122494 677912077 /nfs/dbraw/zinc/91/20/77/677912077.db2.gz DMDRMOYEWCTCTA-IVZWLZJFSA-N 1 1 300.359 -1.798 20 0 DAADMO C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001078122494 677912080 /nfs/dbraw/zinc/91/20/80/677912080.db2.gz DMDRMOYEWCTCTA-IVZWLZJFSA-N 1 1 300.359 -1.798 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1)OC ZINC001078134097 677912528 /nfs/dbraw/zinc/91/25/28/677912528.db2.gz GWPCKAIHIGIGIR-RAIGVLPGSA-N 1 1 324.381 -1.020 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001078144604 677913927 /nfs/dbraw/zinc/91/39/27/677913927.db2.gz XNVXXIILZIFGLV-GHMZBOCLSA-N 1 1 310.354 -1.500 20 0 DAADMO CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144357 677914046 /nfs/dbraw/zinc/91/40/46/677914046.db2.gz LEALPUGSRBIOJX-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144357 677914052 /nfs/dbraw/zinc/91/40/52/677914052.db2.gz LEALPUGSRBIOJX-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144253 677914098 /nfs/dbraw/zinc/91/40/98/677914098.db2.gz GVZBLFAIFHBKBI-IVZWLZJFSA-N 1 1 316.333 -1.552 20 0 DAADMO CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078144428 677914226 /nfs/dbraw/zinc/91/42/26/677914226.db2.gz OAVWPZSQDOJWAX-GHMZBOCLSA-N 1 1 310.354 -1.334 20 0 DAADMO CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144405 677914331 /nfs/dbraw/zinc/91/43/31/677914331.db2.gz NBFBRUAUFWLEHH-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001078146378 677914591 /nfs/dbraw/zinc/91/45/91/677914591.db2.gz DIKNPXSELQTIBI-GHMZBOCLSA-N 1 1 310.354 -1.548 20 0 DAADMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149839 677914788 /nfs/dbraw/zinc/91/47/88/677914788.db2.gz YXVVXWIFOMNNMS-RKDXNWHRSA-N 1 1 309.326 -2.003 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001078149839 677914791 /nfs/dbraw/zinc/91/47/91/677914791.db2.gz YXVVXWIFOMNNMS-RKDXNWHRSA-N 1 1 309.326 -2.003 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078151912 677915001 /nfs/dbraw/zinc/91/50/01/677915001.db2.gz STKYZMRUOACMEF-HBNTYKKESA-N 1 1 313.354 -1.668 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2O)c(=O)[nH]1 ZINC001078168604 677916099 /nfs/dbraw/zinc/91/60/99/677916099.db2.gz CFBUMEOKPSVLGW-BZHVJNSISA-N 1 1 324.381 -1.116 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)c(=O)[nH]c1=O ZINC001078170024 677916214 /nfs/dbraw/zinc/91/62/14/677916214.db2.gz RWTNVEHARZAIJB-NXEZZACHSA-N 1 1 314.317 -1.380 20 0 DAADMO Cc1nc(C)c(CC(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@H]2O)c(=O)[nH]1 ZINC001078168605 677916306 /nfs/dbraw/zinc/91/63/06/677916306.db2.gz CFBUMEOKPSVLGW-ZEGGKSINSA-N 1 1 324.381 -1.116 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001078170851 677916445 /nfs/dbraw/zinc/91/64/45/677916445.db2.gz DSYDAFCGWXGKFX-VXGBXAGGSA-N 1 1 322.369 -1.780 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)n1 ZINC001078170851 677916449 /nfs/dbraw/zinc/91/64/49/677916449.db2.gz DSYDAFCGWXGKFX-VXGBXAGGSA-N 1 1 322.369 -1.780 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078167676 677916606 /nfs/dbraw/zinc/91/66/06/677916606.db2.gz KWXRWTPKOZRLHP-NXEZZACHSA-N 1 1 312.326 -2.093 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001078166065 677916612 /nfs/dbraw/zinc/91/66/12/677916612.db2.gz NEMXMQJEHKTGEQ-ZWKOPEQDSA-N 1 1 307.350 -1.059 20 0 DAADMO CCn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174270 677916729 /nfs/dbraw/zinc/91/67/29/677916729.db2.gz GTDJIIDASSWKIY-IACUBPJLSA-N 1 1 322.413 -1.089 20 0 DAADMO Cn1ncnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174226 677917136 /nfs/dbraw/zinc/91/71/36/677917136.db2.gz FGUOUNBPSQKBKJ-IJLUTSLNSA-N 1 1 308.386 -1.572 20 0 DAADMO Cn1nncc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174850 677917239 /nfs/dbraw/zinc/91/72/39/677917239.db2.gz URYNMMYYDDXKSS-CYZMBNFOSA-N 1 1 308.386 -1.572 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001078173087 677917321 /nfs/dbraw/zinc/91/73/21/677917321.db2.gz GTMAXYYDNAJOQA-GMTAPVOTSA-N 1 1 320.353 -1.791 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@H]2O)C1 ZINC001078174510 677917397 /nfs/dbraw/zinc/91/73/97/677917397.db2.gz NOIFMRJSDNKMDA-YNEHKIRRSA-N 1 1 308.386 -1.609 20 0 DAADMO Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175074 677917461 /nfs/dbraw/zinc/91/74/61/677917461.db2.gz VVKYPIGFYPXDAP-GMTAPVOTSA-N 1 1 309.374 -2.177 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001078193548 677917783 /nfs/dbraw/zinc/91/77/83/677917783.db2.gz WDQIJWDNOLNIQD-OPRDCNLKSA-N 1 1 309.363 -1.801 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001078199825 677918573 /nfs/dbraw/zinc/91/85/73/677918573.db2.gz XUBUAKJUPNXRAU-FRRDWIJNSA-N 1 1 315.370 -1.959 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078199816 677918652 /nfs/dbraw/zinc/91/86/52/677918652.db2.gz XMFVVUDFTFNLAR-HZSPNIEDSA-N 1 1 311.382 -1.195 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1CCc2nncn2C1 ZINC001078219699 677919336 /nfs/dbraw/zinc/91/93/36/677919336.db2.gz KEFVYRFVQSGZCX-IJLUTSLNSA-N 1 1 309.370 -1.616 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001078218408 677919558 /nfs/dbraw/zinc/91/95/58/677919558.db2.gz WNQZPTQWBDGWAS-YUSALJHKSA-N 1 1 322.365 -1.010 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001078220056 677919624 /nfs/dbraw/zinc/91/96/24/677919624.db2.gz XIHFRGOEQNIMRI-JHJVBQTASA-N 1 1 323.397 -1.043 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001078209098 677919799 /nfs/dbraw/zinc/91/97/99/677919799.db2.gz ACGHHTGFGDDTGY-GMTAPVOTSA-N 1 1 300.359 -2.646 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)C1 ZINC001078209098 677919802 /nfs/dbraw/zinc/91/98/02/677919802.db2.gz ACGHHTGFGDDTGY-GMTAPVOTSA-N 1 1 300.359 -2.646 20 0 DAADMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001078220063 677920022 /nfs/dbraw/zinc/92/00/22/677920022.db2.gz XTFCQHVNLAOBEY-IJLUTSLNSA-N 1 1 309.370 -1.352 20 0 DAADMO CCN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078205864 677920242 /nfs/dbraw/zinc/92/02/42/677920242.db2.gz GZVZRWKJAVSTNT-UPJWGTAASA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229620 677920304 /nfs/dbraw/zinc/92/03/04/677920304.db2.gz QUOIREZFGZATPU-NQMVMOMDSA-N 1 1 312.330 -3.081 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078205863 677920313 /nfs/dbraw/zinc/92/03/13/677920313.db2.gz GZVZRWKJAVSTNT-JHJVBQTASA-N 1 1 301.387 -1.749 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001078229621 677920335 /nfs/dbraw/zinc/92/03/35/677920335.db2.gz QUOIREZFGZATPU-QXFUBDJGSA-N 1 1 312.330 -3.081 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078240828 677920823 /nfs/dbraw/zinc/92/08/23/677920823.db2.gz KPEPYQUKCRMHBH-CKYFFXLPSA-N 1 1 312.370 -1.466 20 0 DAADMO NC(=O)c1cccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001078247303 677921047 /nfs/dbraw/zinc/92/10/47/677921047.db2.gz PSFAHQYROUQCBJ-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246208 677921198 /nfs/dbraw/zinc/92/11/98/677921198.db2.gz QAFOCNUEJULBGZ-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO Cc1sc(=O)n(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1C ZINC001078226551 677921227 /nfs/dbraw/zinc/92/12/27/677921227.db2.gz HFYBQWBGOWDONZ-GHMZBOCLSA-N 1 1 315.395 -1.320 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078280231 677922139 /nfs/dbraw/zinc/92/21/39/677922139.db2.gz WFRXALJPPKGILU-OUAUKWLOSA-N 1 1 300.359 -1.927 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000739126 677922214 /nfs/dbraw/zinc/92/22/14/677922214.db2.gz QACALPJKPBDTJY-ZJUUUORDSA-N 1 1 307.358 -1.431 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001078273627 677922381 /nfs/dbraw/zinc/92/23/81/677922381.db2.gz ZVUGZMJKFIAZJO-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001078273469 677922518 /nfs/dbraw/zinc/92/25/18/677922518.db2.gz SPFBZQVQFULIHE-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299831 677922851 /nfs/dbraw/zinc/92/28/51/677922851.db2.gz KVDKIACTJVFZKH-OASPWFOLSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)c1ccnc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)c1 ZINC001078300359 677922992 /nfs/dbraw/zinc/92/29/92/677922992.db2.gz RUCOEJUTJLLOBI-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO COCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001078302652 677923013 /nfs/dbraw/zinc/92/30/13/677923013.db2.gz OOUNYKWUVWJIHV-JTQLQIEISA-N 1 1 313.358 -1.538 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299746 677923038 /nfs/dbraw/zinc/92/30/38/677923038.db2.gz IHBJBUMTRFTGQF-XXILOJSOSA-N 1 1 308.338 -1.664 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078299685 677923097 /nfs/dbraw/zinc/92/30/97/677923097.db2.gz DWQYFVABMPWGSK-ZWKOPEQDSA-N 1 1 322.365 -1.010 20 0 DAADMO Cn1nnc2cccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@H]3O)c21 ZINC001078296915 677923641 /nfs/dbraw/zinc/92/36/41/677923641.db2.gz XUOJWUOATJYVHO-VXGBXAGGSA-N 1 1 305.338 -1.265 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078289080 677923650 /nfs/dbraw/zinc/92/36/50/677923650.db2.gz CKAUYNHFKFZARK-IVZWLZJFSA-N 1 1 301.318 -1.440 20 0 DAADMO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)N1CCOCC1 ZINC001078290629 677923687 /nfs/dbraw/zinc/92/36/87/677923687.db2.gz NKNPXCXLBTVNII-YNEHKIRRSA-N 1 1 301.387 -1.749 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCCO2)n1 ZINC001078362206 677924015 /nfs/dbraw/zinc/92/40/15/677924015.db2.gz SCLIURVIQYOUFR-NSHDSACASA-N 1 1 310.358 -1.602 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001078353097 677924056 /nfs/dbraw/zinc/92/40/56/677924056.db2.gz PXCVYXAMUKNEDA-NEPJUHHUSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001078353099 677924069 /nfs/dbraw/zinc/92/40/69/677924069.db2.gz PXCVYXAMUKNEDA-NWDGAFQWSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001078353101 677924183 /nfs/dbraw/zinc/92/41/83/677924183.db2.gz PXCVYXAMUKNEDA-RYUDHWBXSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001078396584 677924534 /nfs/dbraw/zinc/92/45/34/677924534.db2.gz QDQHUNUFFGWJOP-SNVBAGLBSA-N 1 1 320.357 -1.046 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)CCCO2)n1 ZINC001078423715 677924752 /nfs/dbraw/zinc/92/47/52/677924752.db2.gz ARKOGQLUKYIOIX-LLVKDONJSA-N 1 1 320.357 -1.046 20 0 DAADMO O=C(Cn1ncnn1)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078401963 677924836 /nfs/dbraw/zinc/92/48/36/677924836.db2.gz AIOAUBVDDWZGPR-LLVKDONJSA-N 1 1 322.329 -1.537 20 0 DAADMO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1C ZINC001078456529 677925069 /nfs/dbraw/zinc/92/50/69/677925069.db2.gz AJJWTPMURJPGOA-SNVBAGLBSA-N 1 1 324.385 -1.430 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)n1C ZINC001078456528 677925262 /nfs/dbraw/zinc/92/52/62/677925262.db2.gz AJJWTPMURJPGOA-JTQLQIEISA-N 1 1 324.385 -1.430 20 0 DAADMO CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078457242 677925575 /nfs/dbraw/zinc/92/55/75/677925575.db2.gz SANDWXKBISVNIO-LLVKDONJSA-N 1 1 310.358 -1.510 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457529 677925666 /nfs/dbraw/zinc/92/56/66/677925666.db2.gz YWKMAENLHUAUAF-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO COc1cc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)on1 ZINC001078458235 677925759 /nfs/dbraw/zinc/92/57/59/677925759.db2.gz COPBLVYRSJMEQB-JTQLQIEISA-N 1 1 312.326 -1.124 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001078456724 677926017 /nfs/dbraw/zinc/92/60/17/677926017.db2.gz GCXJMPNJPLYSPC-GHMZBOCLSA-N 1 1 324.341 -1.542 20 0 DAADMO CCCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457429 677926136 /nfs/dbraw/zinc/92/61/36/677926136.db2.gz WUHLLLJTXQEQIW-NSHDSACASA-N 1 1 324.385 -1.120 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCCO2)[nH]1 ZINC001078458997 677926189 /nfs/dbraw/zinc/92/61/89/677926189.db2.gz XXMBIAQTFMBQNJ-PSASIEDQSA-N 1 1 310.358 -1.133 20 0 DAADMO CCn1nc(C)c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)n1 ZINC001078458856 677926201 /nfs/dbraw/zinc/92/62/01/677926201.db2.gz UIGLVJGYODDRFH-NSHDSACASA-N 1 1 324.385 -1.201 20 0 DAADMO Cn1nnc(C(=O)N2CCCO[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001078449457 677926509 /nfs/dbraw/zinc/92/65/09/677926509.db2.gz CHPODJXAIHXGCE-SNVBAGLBSA-N 1 1 322.329 -1.386 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001078487331 677926540 /nfs/dbraw/zinc/92/65/40/677926540.db2.gz IXPKCVPTDCHXBB-JTQLQIEISA-N 1 1 320.357 -1.046 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCCO2)[nH]1 ZINC001078459000 677926569 /nfs/dbraw/zinc/92/65/69/677926569.db2.gz XXMBIAQTFMBQNJ-WPRPVWTQSA-N 1 1 310.358 -1.133 20 0 DAADMO COC[C@@H](C)[NH+]1CC(N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001043142981 677927591 /nfs/dbraw/zinc/92/75/91/677927591.db2.gz JCNUGRPLQODNTF-GFCCVEGCSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001003044156 677939240 /nfs/dbraw/zinc/93/92/40/677939240.db2.gz FAUJMSGPTXRAEZ-APPZFPTMSA-N 1 1 311.342 -1.961 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001058389127 677941700 /nfs/dbraw/zinc/94/17/00/677941700.db2.gz ZLSXKHGLOLGGGI-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061449801 677950150 /nfs/dbraw/zinc/95/01/50/677950150.db2.gz WJPKSFICIDQCHQ-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)CC(N)=O)C1 ZINC001061453639 677950195 /nfs/dbraw/zinc/95/01/95/677950195.db2.gz WRLYJKGNOWFLIV-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@H]1CNC(=O)CC(N)=O ZINC001061452646 677950491 /nfs/dbraw/zinc/95/04/91/677950491.db2.gz FJHWZTJAGFZOCP-LLVKDONJSA-N 1 1 323.353 -1.589 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC(N)=O ZINC001061456310 677951074 /nfs/dbraw/zinc/95/10/74/677951074.db2.gz ULARPZOUCORFTA-NSHDSACASA-N 1 1 314.386 -1.454 20 0 DAADMO O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)c1nc[nH]n1 ZINC001061600717 677957097 /nfs/dbraw/zinc/95/70/97/677957097.db2.gz SVKFPSMDYDJFOK-NSHDSACASA-N 1 1 322.369 -1.142 20 0 DAADMO C[N@@H+](CC(=O)NC[C@H]1COCCN1C(=O)C(N)=O)C1CCC1 ZINC001061664612 677960617 /nfs/dbraw/zinc/96/06/17/677960617.db2.gz ZWHOBYNXDHNIHS-NSHDSACASA-N 1 1 312.370 -1.700 20 0 DAADMO C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001061696159 677961091 /nfs/dbraw/zinc/96/10/91/677961091.db2.gz PRWPQCRBJNCQLG-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2COCCN2C(=O)C(N)=O)C1 ZINC001061724813 677962511 /nfs/dbraw/zinc/96/25/11/677962511.db2.gz XLVFLXQNLWVONO-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061841344 677966571 /nfs/dbraw/zinc/96/65/71/677966571.db2.gz YJKNHVPOORYMSJ-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCOC[C@H]1CNC(=O)C(N)=O ZINC001061843531 677969461 /nfs/dbraw/zinc/96/94/61/677969461.db2.gz BDGGIJFRMBRWJP-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCOC[C@@H]1CNC(=O)C(N)=O ZINC001061845191 677970732 /nfs/dbraw/zinc/97/07/32/677970732.db2.gz DRVLLGYAMYNDMT-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cc1ncn[nH]1 ZINC001061862300 677972181 /nfs/dbraw/zinc/97/21/81/677972181.db2.gz SDCUNDGQEUUEDH-NSHDSACASA-N 1 1 324.385 -1.358 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(NC(=O)[C@H]3CNC(=O)N3)CCC2)C1 ZINC001063100097 677986196 /nfs/dbraw/zinc/98/61/96/677986196.db2.gz FYVHTCJFTFACBW-GHMZBOCLSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC2(CNC(=O)[C@@H]3CNC(=O)N3)CCC2)C1 ZINC001064271552 677994294 /nfs/dbraw/zinc/99/42/94/677994294.db2.gz XJGAUZXTAFOCFZ-QWRGUYRKSA-N 1 1 323.397 -1.225 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001064271545 677994306 /nfs/dbraw/zinc/99/43/06/677994306.db2.gz XFNFEFMEFRDTJY-WDEREUQCSA-N 1 1 323.397 -1.083 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001064997371 678009367 /nfs/dbraw/zinc/00/93/67/678009367.db2.gz APSZZVKGAYOCCB-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)C(F)F)C2)C1 ZINC001065008810 678010747 /nfs/dbraw/zinc/01/07/47/678010747.db2.gz JIVYQFOZAPKBDV-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)C(F)F)C2)C1 ZINC001065008810 678010749 /nfs/dbraw/zinc/01/07/49/678010749.db2.gz JIVYQFOZAPKBDV-UWVGGRQHSA-N 1 1 321.324 -1.074 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)CC(N)=O)C2)C1 ZINC001065168897 678015917 /nfs/dbraw/zinc/01/59/17/678015917.db2.gz GAZKXRIYGTXXOK-QWRGUYRKSA-N 1 1 312.370 -1.843 20 0 DAADMO CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH+](CC(N)=O)CC1 ZINC001079164155 678017783 /nfs/dbraw/zinc/01/77/83/678017783.db2.gz VHKWKAKNMLTOSM-OLZOCXBDSA-N 1 1 323.397 -1.049 20 0 DAADMO CCN(C(=O)Cn1cnnn1)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079287908 678019839 /nfs/dbraw/zinc/01/98/39/678019839.db2.gz UWONUGIOXPQYCJ-GFCCVEGCSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079395346 678020869 /nfs/dbraw/zinc/02/08/69/678020869.db2.gz CIVZPJPOAHAEEP-GMTAPVOTSA-N 1 1 309.374 -1.414 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079395803 678020961 /nfs/dbraw/zinc/02/09/61/678020961.db2.gz XOFRUHZGPOOENK-UTUOFQBUSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079396891 678021101 /nfs/dbraw/zinc/02/11/01/678021101.db2.gz JRGRDEGSYYEDMX-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079396878 678021129 /nfs/dbraw/zinc/02/11/29/678021129.db2.gz JEVQJMCCKWVRHM-GHMZBOCLSA-N 1 1 305.346 -1.599 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505433 678021617 /nfs/dbraw/zinc/02/16/17/678021617.db2.gz YBVLZLUQCYPVKA-OPRDCNLKSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1nccnc1N ZINC001079505433 678021619 /nfs/dbraw/zinc/02/16/19/678021619.db2.gz YBVLZLUQCYPVKA-OPRDCNLKSA-N 1 1 304.354 -1.003 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598511 678023034 /nfs/dbraw/zinc/02/30/34/678023034.db2.gz GASVNTTVCILOGG-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079598511 678023036 /nfs/dbraw/zinc/02/30/36/678023036.db2.gz GASVNTTVCILOGG-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598588 678023056 /nfs/dbraw/zinc/02/30/56/678023056.db2.gz IJCCFRJUFXARGC-UPJWGTAASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079598588 678023060 /nfs/dbraw/zinc/02/30/60/678023060.db2.gz IJCCFRJUFXARGC-UPJWGTAASA-N 1 1 312.414 -1.158 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602477 678023471 /nfs/dbraw/zinc/02/34/71/678023471.db2.gz OQLMPEWQYRQZEZ-OPRDCNLKSA-N 1 1 308.342 -1.691 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602477 678023472 /nfs/dbraw/zinc/02/34/72/678023472.db2.gz OQLMPEWQYRQZEZ-OPRDCNLKSA-N 1 1 308.342 -1.691 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602723 678023480 /nfs/dbraw/zinc/02/34/80/678023480.db2.gz ZBHIEJCWIVHAKF-NXEZZACHSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602723 678023482 /nfs/dbraw/zinc/02/34/82/678023482.db2.gz ZBHIEJCWIVHAKF-NXEZZACHSA-N 1 1 310.358 -1.492 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602499 678023615 /nfs/dbraw/zinc/02/36/15/678023615.db2.gz PYUQZOJGGWZMFR-MXWKQRLJSA-N 1 1 322.369 -1.301 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601401 678023704 /nfs/dbraw/zinc/02/37/04/678023704.db2.gz WVZLVGLOFPHLRO-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079601401 678023706 /nfs/dbraw/zinc/02/37/06/678023706.db2.gz WVZLVGLOFPHLRO-GHMZBOCLSA-N 1 1 322.369 -1.348 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)nn1 ZINC001079685746 678024858 /nfs/dbraw/zinc/02/48/58/678024858.db2.gz KNGKIAMJBRIYEZ-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)nn1 ZINC001079685746 678024861 /nfs/dbraw/zinc/02/48/61/678024861.db2.gz KNGKIAMJBRIYEZ-GMTAPVOTSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079732094 678025761 /nfs/dbraw/zinc/02/57/61/678025761.db2.gz XIXVWTSBAQGHSF-HTQZYQBOSA-N 1 1 309.330 -2.701 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079732094 678025763 /nfs/dbraw/zinc/02/57/63/678025763.db2.gz XIXVWTSBAQGHSF-HTQZYQBOSA-N 1 1 309.330 -2.701 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079704494 678025990 /nfs/dbraw/zinc/02/59/90/678025990.db2.gz CQQMRTKDPZWJJM-GMTAPVOTSA-N 1 1 307.358 -1.660 20 0 DAADMO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001079804832 678027059 /nfs/dbraw/zinc/02/70/59/678027059.db2.gz PAEOSZXREYHRBP-UHFFFAOYSA-N 1 1 322.369 -1.081 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001079807696 678027146 /nfs/dbraw/zinc/02/71/46/678027146.db2.gz LFQIKUJJVZQVLS-GRYCIOLGSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001079805526 678027283 /nfs/dbraw/zinc/02/72/83/678027283.db2.gz USLZPOOHTVFLMW-IJLUTSLNSA-N 1 1 324.381 -1.636 20 0 DAADMO CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079829219 678027799 /nfs/dbraw/zinc/02/77/99/678027799.db2.gz BZFWADZZMJNGDL-LBPRGKRZSA-N 1 1 321.385 -1.173 20 0 DAADMO CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079830840 678028062 /nfs/dbraw/zinc/02/80/62/678028062.db2.gz XJWCVLRQBXMVCK-LLVKDONJSA-N 1 1 321.385 -1.316 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997209 678029664 /nfs/dbraw/zinc/02/96/64/678029664.db2.gz JFIPCBVCODXLRI-OUAUKWLOSA-N 1 1 324.385 -1.847 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997209 678029668 /nfs/dbraw/zinc/02/96/68/678029668.db2.gz JFIPCBVCODXLRI-OUAUKWLOSA-N 1 1 324.385 -1.847 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997798 678029913 /nfs/dbraw/zinc/02/99/13/678029913.db2.gz UHJIWATWTUJTKD-KXUCPTDWSA-N 1 1 310.358 -2.108 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997798 678029917 /nfs/dbraw/zinc/02/99/17/678029917.db2.gz UHJIWATWTUJTKD-KXUCPTDWSA-N 1 1 310.358 -2.108 20 0 DAADMO CCN(C(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C(N)=O)C1 ZINC001080096517 678031081 /nfs/dbraw/zinc/03/10/81/678031081.db2.gz LGZPPGRPWOOWLU-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1CCCCS1(=O)=O ZINC001080139523 678031087 /nfs/dbraw/zinc/03/10/87/678031087.db2.gz JCDNZFWYWSJIEJ-VXGBXAGGSA-N 1 1 319.427 -1.159 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257981 678032529 /nfs/dbraw/zinc/03/25/29/678032529.db2.gz IVQSPTNSAIYIRP-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080256620 678032734 /nfs/dbraw/zinc/03/27/34/678032734.db2.gz ZBALMDMIKJNEGQ-GHMZBOCLSA-N 1 1 311.386 -2.399 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080256620 678032737 /nfs/dbraw/zinc/03/27/37/678032737.db2.gz ZBALMDMIKJNEGQ-GHMZBOCLSA-N 1 1 311.386 -2.399 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080264964 678033123 /nfs/dbraw/zinc/03/31/23/678033123.db2.gz MIPFHHTULZCFGI-GMTAPVOTSA-N 1 1 311.386 -1.465 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080264964 678033127 /nfs/dbraw/zinc/03/31/27/678033127.db2.gz MIPFHHTULZCFGI-GMTAPVOTSA-N 1 1 311.386 -1.465 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080264965 678033394 /nfs/dbraw/zinc/03/33/94/678033394.db2.gz MIPFHHTULZCFGI-MXWKQRLJSA-N 1 1 311.386 -1.465 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080264965 678033395 /nfs/dbraw/zinc/03/33/95/678033395.db2.gz MIPFHHTULZCFGI-MXWKQRLJSA-N 1 1 311.386 -1.465 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277057 678033428 /nfs/dbraw/zinc/03/34/28/678033428.db2.gz DEACHNMVJFOQSN-OPRDCNLKSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277057 678033431 /nfs/dbraw/zinc/03/34/31/678033431.db2.gz DEACHNMVJFOQSN-OPRDCNLKSA-N 1 1 307.358 -1.509 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277226 678033494 /nfs/dbraw/zinc/03/34/94/678033494.db2.gz KEXBMOSIFFLEGN-GHMZBOCLSA-N 1 1 321.385 -1.117 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360595 678033912 /nfs/dbraw/zinc/03/39/12/678033912.db2.gz DQKNTHIBGSVOKY-GMTAPVOTSA-N 1 1 324.385 -1.871 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346789 678034459 /nfs/dbraw/zinc/03/44/59/678034459.db2.gz QOHJGMBGRMRDOO-IEBDPFPHSA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346789 678034461 /nfs/dbraw/zinc/03/44/61/678034461.db2.gz QOHJGMBGRMRDOO-IEBDPFPHSA-N 1 1 305.338 -1.292 20 0 DAADMO C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C(N)=O ZINC001080369111 678034762 /nfs/dbraw/zinc/03/47/62/678034762.db2.gz JSZBCYOCUCYXHP-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C(N)=O ZINC001080369111 678034763 /nfs/dbraw/zinc/03/47/63/678034763.db2.gz JSZBCYOCUCYXHP-OUAUKWLOSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C(N)=O ZINC001080369269 678034965 /nfs/dbraw/zinc/03/49/65/678034965.db2.gz PQJFSTUNJRSYFB-MWLCHTKSSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C(N)=O ZINC001080369269 678034968 /nfs/dbraw/zinc/03/49/68/678034968.db2.gz PQJFSTUNJRSYFB-MWLCHTKSSA-N 1 1 317.411 -1.267 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001080413903 678036856 /nfs/dbraw/zinc/03/68/56/678036856.db2.gz WQCFXHDTYFEPRZ-VXNVDRBHSA-N 1 1 317.371 -1.901 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459433 678036925 /nfs/dbraw/zinc/03/69/25/678036925.db2.gz VTNBMQPRFWSVSB-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459433 678036927 /nfs/dbraw/zinc/03/69/27/678036927.db2.gz VTNBMQPRFWSVSB-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459371 678036947 /nfs/dbraw/zinc/03/69/47/678036947.db2.gz UXXSFAMURBKIIX-KXGXSXBTSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080459371 678036949 /nfs/dbraw/zinc/03/69/49/678036949.db2.gz UXXSFAMURBKIIX-KXGXSXBTSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080460533 678037104 /nfs/dbraw/zinc/03/71/04/678037104.db2.gz DZVPEWVLGSYUSX-WISYIIOYSA-N 1 1 306.370 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001080550212 678037215 /nfs/dbraw/zinc/03/72/15/678037215.db2.gz YYGDFOOGZCNNAC-RKDXNWHRSA-N 1 1 312.326 -2.164 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001080525663 678037261 /nfs/dbraw/zinc/03/72/61/678037261.db2.gz FNIZYVBSDRRADB-HRDYMLBCSA-N 1 1 311.342 -2.233 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001080525663 678037264 /nfs/dbraw/zinc/03/72/64/678037264.db2.gz FNIZYVBSDRRADB-HRDYMLBCSA-N 1 1 311.342 -2.233 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC001080547972 678037290 /nfs/dbraw/zinc/03/72/90/678037290.db2.gz FITXSOPKXCKAOY-GHMZBOCLSA-N 1 1 320.353 -1.680 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001080581169 678037974 /nfs/dbraw/zinc/03/79/74/678037974.db2.gz ALDGJPKWZFKLBR-GHMZBOCLSA-N 1 1 323.401 -1.021 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001080581169 678037978 /nfs/dbraw/zinc/03/79/78/678037978.db2.gz ALDGJPKWZFKLBR-GHMZBOCLSA-N 1 1 323.401 -1.021 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001080600887 678038543 /nfs/dbraw/zinc/03/85/43/678038543.db2.gz XLANIELVYDIQKQ-RPHSUOOOSA-N 1 1 323.353 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001080600887 678038545 /nfs/dbraw/zinc/03/85/45/678038545.db2.gz XLANIELVYDIQKQ-RPHSUOOOSA-N 1 1 323.353 -2.104 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001080640678 678038914 /nfs/dbraw/zinc/03/89/14/678038914.db2.gz AQCAAEFFCRUULD-NXEZZACHSA-N 1 1 307.358 -1.120 20 0 DAADMO C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001080640678 678038915 /nfs/dbraw/zinc/03/89/15/678038915.db2.gz AQCAAEFFCRUULD-NXEZZACHSA-N 1 1 307.358 -1.120 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001080640678 678038916 /nfs/dbraw/zinc/03/89/16/678038916.db2.gz AQCAAEFFCRUULD-NXEZZACHSA-N 1 1 307.358 -1.120 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080634619 678039070 /nfs/dbraw/zinc/03/90/70/678039070.db2.gz BWGVLMLZXBVQQD-BBBLOLIVSA-N 1 1 323.353 -2.137 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080634619 678039072 /nfs/dbraw/zinc/03/90/72/678039072.db2.gz BWGVLMLZXBVQQD-BBBLOLIVSA-N 1 1 323.353 -2.137 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080664280 678039322 /nfs/dbraw/zinc/03/93/22/678039322.db2.gz PQTMZKUQSVZYIQ-GMSGAONNSA-N 1 1 323.353 -1.339 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080664280 678039323 /nfs/dbraw/zinc/03/93/23/678039323.db2.gz PQTMZKUQSVZYIQ-GMSGAONNSA-N 1 1 323.353 -1.339 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001080821347 678042308 /nfs/dbraw/zinc/04/23/08/678042308.db2.gz SKXAIHDILMVKED-ZYHUDNBSSA-N 1 1 321.381 -1.266 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001080821347 678042311 /nfs/dbraw/zinc/04/23/11/678042311.db2.gz SKXAIHDILMVKED-ZYHUDNBSSA-N 1 1 321.381 -1.266 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN(C(=O)C(N)=O)CC2)C1 ZINC001080865281 678042670 /nfs/dbraw/zinc/04/26/70/678042670.db2.gz PMPPSOJLDRUKGV-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906494 678043461 /nfs/dbraw/zinc/04/34/61/678043461.db2.gz DZIJZJYRQCZUJG-HRDYMLBCSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906494 678043462 /nfs/dbraw/zinc/04/34/62/678043462.db2.gz DZIJZJYRQCZUJG-HRDYMLBCSA-N 1 1 311.342 -2.152 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080930709 678043905 /nfs/dbraw/zinc/04/39/05/678043905.db2.gz JCCWEXROHIAIPD-NQMVMOMDSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080930709 678043910 /nfs/dbraw/zinc/04/39/10/678043910.db2.gz JCCWEXROHIAIPD-NQMVMOMDSA-N 1 1 323.353 -1.590 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001080931940 678044140 /nfs/dbraw/zinc/04/41/40/678044140.db2.gz SKHFPAXNLQXPBD-WCABBAIRSA-N 1 1 310.354 -1.083 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001080976150 678045325 /nfs/dbraw/zinc/04/53/25/678045325.db2.gz NBAGGYHFAIHFBY-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001080976923 678045636 /nfs/dbraw/zinc/04/56/36/678045636.db2.gz OREPVAVOZZITLT-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(CC(=O)NC)C[C@H]2C)C1 ZINC001080976923 678045639 /nfs/dbraw/zinc/04/56/39/678045639.db2.gz OREPVAVOZZITLT-UPJWGTAASA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011018 678046650 /nfs/dbraw/zinc/04/66/50/678046650.db2.gz CKTBEUTZLMBCOS-MXWKQRLJSA-N 1 1 321.381 -1.338 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011018 678046653 /nfs/dbraw/zinc/04/66/53/678046653.db2.gz CKTBEUTZLMBCOS-MXWKQRLJSA-N 1 1 321.381 -1.338 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080961182 678046800 /nfs/dbraw/zinc/04/68/00/678046800.db2.gz YLXVXZKCUDXEDM-GMTAPVOTSA-N 1 1 305.400 -1.503 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001080999907 678046860 /nfs/dbraw/zinc/04/68/60/678046860.db2.gz NZCDKUCHNOTBPP-OUAUKWLOSA-N 1 1 324.385 -1.152 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080959439 678046921 /nfs/dbraw/zinc/04/69/21/678046921.db2.gz FKRBCXAWYULGPV-HRDYMLBCSA-N 1 1 304.372 -2.400 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080959439 678046924 /nfs/dbraw/zinc/04/69/24/678046924.db2.gz FKRBCXAWYULGPV-HRDYMLBCSA-N 1 1 304.372 -2.400 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001080959590 678047007 /nfs/dbraw/zinc/04/70/07/678047007.db2.gz KBBDSIHOQLDAAL-OPRDCNLKSA-N 1 1 318.399 -2.139 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001080959590 678047009 /nfs/dbraw/zinc/04/70/09/678047009.db2.gz KBBDSIHOQLDAAL-OPRDCNLKSA-N 1 1 318.399 -2.139 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001081040645 678047231 /nfs/dbraw/zinc/04/72/31/678047231.db2.gz NVCXZZSEYFOMAM-BXKDBHETSA-N 1 1 319.365 -1.023 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001081040645 678047234 /nfs/dbraw/zinc/04/72/34/678047234.db2.gz NVCXZZSEYFOMAM-BXKDBHETSA-N 1 1 319.365 -1.023 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1 ZINC001080991161 678047330 /nfs/dbraw/zinc/04/73/30/678047330.db2.gz SCLHZIUYLLZDAS-OUAUKWLOSA-N 1 1 306.370 -1.238 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCc2nncn2C1 ZINC001080991161 678047332 /nfs/dbraw/zinc/04/73/32/678047332.db2.gz SCLHZIUYLLZDAS-OUAUKWLOSA-N 1 1 306.370 -1.238 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001081064005 678047360 /nfs/dbraw/zinc/04/73/60/678047360.db2.gz WYXHHYSPENMCGB-KXUCPTDWSA-N 1 1 310.354 -1.778 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001081064005 678047362 /nfs/dbraw/zinc/04/73/62/678047362.db2.gz WYXHHYSPENMCGB-KXUCPTDWSA-N 1 1 310.354 -1.778 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001081045417 678047398 /nfs/dbraw/zinc/04/73/98/678047398.db2.gz QQAIZBWMPYNLEF-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001081045417 678047400 /nfs/dbraw/zinc/04/74/00/678047400.db2.gz QQAIZBWMPYNLEF-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)COC)[C@H](O)C1 ZINC001081181613 678054913 /nfs/dbraw/zinc/05/49/13/678054913.db2.gz UOEVWZDGTGYXHL-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COCC(=O)NC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1O ZINC001081188328 678055878 /nfs/dbraw/zinc/05/58/78/678055878.db2.gz FVJDKKNETBISPQ-NEPJUHHUSA-N 1 1 310.354 -1.227 20 0 DAADMO COCC(=O)NC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1O ZINC001081188329 678056021 /nfs/dbraw/zinc/05/60/21/678056021.db2.gz FVJDKKNETBISPQ-NWDGAFQWSA-N 1 1 310.354 -1.227 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC(N)=O)C1 ZINC001081371650 678072005 /nfs/dbraw/zinc/07/20/05/678072005.db2.gz QNIHLMTVWYLHOZ-MNOVXSKESA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081434913 678072784 /nfs/dbraw/zinc/07/27/84/678072784.db2.gz FIGBFEHZYNCAFM-IJLUTSLNSA-N 1 1 323.401 -1.380 20 0 DAADMO CO[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081438214 678079088 /nfs/dbraw/zinc/07/90/88/678079088.db2.gz YYAUWNNMRSOXBA-JHJVBQTASA-N 1 1 312.414 -1.016 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001081443615 678079380 /nfs/dbraw/zinc/07/93/80/678079380.db2.gz KTIRTYZDTISIIY-JHJVBQTASA-N 1 1 321.381 -1.023 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081503210 678080786 /nfs/dbraw/zinc/08/07/86/678080786.db2.gz OMCHRLNWJDDWRA-GHMZBOCLSA-N 1 1 323.353 -1.998 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC001081503211 678080928 /nfs/dbraw/zinc/08/09/28/678080928.db2.gz OMCHRLNWJDDWRA-MNOVXSKESA-N 1 1 323.353 -1.998 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001081561041 678084195 /nfs/dbraw/zinc/08/41/95/678084195.db2.gz WKYYXVPRMZVRBW-JHJVBQTASA-N 1 1 301.387 -1.485 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)C1CCC1 ZINC001081565424 678084312 /nfs/dbraw/zinc/08/43/12/678084312.db2.gz YORHUTGWAHBEMC-MWLCHTKSSA-N 1 1 312.370 -2.109 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001081565560 678084818 /nfs/dbraw/zinc/08/48/18/678084818.db2.gz BLPKENRLTVUJNU-HBNTYKKESA-N 1 1 313.358 -1.166 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@H](OC)C1 ZINC001081565928 678084825 /nfs/dbraw/zinc/08/48/25/678084825.db2.gz UUYCZCCHAHXIJS-GMTAPVOTSA-N 1 1 313.358 -1.166 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081589685 678086766 /nfs/dbraw/zinc/08/67/66/678086766.db2.gz HQKSXBZBUVEUEU-JQWIXIFHSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081634027 678089111 /nfs/dbraw/zinc/08/91/11/678089111.db2.gz BJLVRTJCAITKSY-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081634435 678089171 /nfs/dbraw/zinc/08/91/71/678089171.db2.gz HPERJDXPAHKWHC-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1O ZINC001081634438 678089195 /nfs/dbraw/zinc/08/91/95/678089195.db2.gz HPERJDXPAHKWHC-WDEREUQCSA-N 1 1 324.385 -1.304 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC001081634028 678089301 /nfs/dbraw/zinc/08/93/01/678089301.db2.gz BJLVRTJCAITKSY-UWVGGRQHSA-N 1 1 300.359 -2.251 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590876 678089721 /nfs/dbraw/zinc/08/97/21/678089721.db2.gz YAJZMRCILHKMMP-GXSJLCMTSA-N 1 1 310.358 -1.695 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001081590429 678089752 /nfs/dbraw/zinc/08/97/52/678089752.db2.gz RAQHACQNUXAZNC-JQWIXIFHSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590429 678089754 /nfs/dbraw/zinc/08/97/54/678089754.db2.gz RAQHACQNUXAZNC-JQWIXIFHSA-N 1 1 324.385 -1.306 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001081590429 678089759 /nfs/dbraw/zinc/08/97/59/678089759.db2.gz RAQHACQNUXAZNC-JQWIXIFHSA-N 1 1 324.385 -1.306 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081607553 678090519 /nfs/dbraw/zinc/09/05/19/678090519.db2.gz SXBCBNWXCDRNIC-VHSXEESVSA-N 1 1 309.326 -2.388 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnnn1C ZINC001081614599 678091166 /nfs/dbraw/zinc/09/11/66/678091166.db2.gz XMUCIYFBKULLDK-ZYHUDNBSSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cnnn1C ZINC001081614599 678091168 /nfs/dbraw/zinc/09/11/68/678091168.db2.gz XMUCIYFBKULLDK-ZYHUDNBSSA-N 1 1 320.357 -1.464 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001081652784 678091611 /nfs/dbraw/zinc/09/16/11/678091611.db2.gz GBOAYLTUVQHUGA-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652784 678091613 /nfs/dbraw/zinc/09/16/13/678091613.db2.gz GBOAYLTUVQHUGA-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001081652784 678091617 /nfs/dbraw/zinc/09/16/17/678091617.db2.gz GBOAYLTUVQHUGA-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652784 678091620 /nfs/dbraw/zinc/09/16/20/678091620.db2.gz GBOAYLTUVQHUGA-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001081652784 678091625 /nfs/dbraw/zinc/09/16/25/678091625.db2.gz GBOAYLTUVQHUGA-MNOVXSKESA-N 1 1 324.385 -1.304 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653135 678092075 /nfs/dbraw/zinc/09/20/75/678092075.db2.gz KKBVNEOZMPUJIO-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653135 678092077 /nfs/dbraw/zinc/09/20/77/678092077.db2.gz KKBVNEOZMPUJIO-NXEZZACHSA-N 1 1 310.358 -1.695 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001081653543 678092356 /nfs/dbraw/zinc/09/23/56/678092356.db2.gz PSRWYKJMBRZOEO-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001081653543 678092359 /nfs/dbraw/zinc/09/23/59/678092359.db2.gz PSRWYKJMBRZOEO-GHMZBOCLSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673559 678093335 /nfs/dbraw/zinc/09/33/35/678093335.db2.gz NHWOLKQESSAQHB-GHMZBOCLSA-N 1 1 321.345 -2.220 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673559 678093336 /nfs/dbraw/zinc/09/33/36/678093336.db2.gz NHWOLKQESSAQHB-GHMZBOCLSA-N 1 1 321.345 -2.220 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](O)C1 ZINC001081712716 678096302 /nfs/dbraw/zinc/09/63/02/678096302.db2.gz BTUDUOAUFNNTHU-NXEZZACHSA-N 1 1 300.359 -2.251 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081715737 678098886 /nfs/dbraw/zinc/09/88/86/678098886.db2.gz IQMNOEFUKYEZEQ-VHSXEESVSA-N 1 1 300.359 -2.253 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)C(N)=O)C1 ZINC001081721080 678101969 /nfs/dbraw/zinc/10/19/69/678101969.db2.gz GDGXESHXJBIGSG-UWVGGRQHSA-N 1 1 314.386 -1.863 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC001081727382 678102808 /nfs/dbraw/zinc/10/28/08/678102808.db2.gz PHNIDPOHLUZENT-JQWIXIFHSA-N 1 1 309.370 -1.090 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736918 678103299 /nfs/dbraw/zinc/10/32/99/678103299.db2.gz BBEVGJNEAWZVJU-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1nccn1 ZINC001081736918 678103301 /nfs/dbraw/zinc/10/33/01/678103301.db2.gz BBEVGJNEAWZVJU-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)COC)C[C@@H]1O ZINC001081773323 678103581 /nfs/dbraw/zinc/10/35/81/678103581.db2.gz AHUDXKVJMCQPJJ-NEPJUHHUSA-N 1 1 301.387 -1.090 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc2n[nH]nc2n1 ZINC001081772151 678103643 /nfs/dbraw/zinc/10/36/43/678103643.db2.gz QZYLFDYRAYTZOL-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc2n[nH]nc2n1 ZINC001081772151 678103645 /nfs/dbraw/zinc/10/36/45/678103645.db2.gz QZYLFDYRAYTZOL-GHMZBOCLSA-N 1 1 306.326 -1.226 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001081773465 678103647 /nfs/dbraw/zinc/10/36/47/678103647.db2.gz BNOYIRPPAURAOQ-PWSUYJOCSA-N 1 1 324.385 -1.304 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1nnn(C(C)(C)C)n1 ZINC001081699555 678103675 /nfs/dbraw/zinc/10/36/75/678103675.db2.gz COZZYOQARZPGMQ-NXEZZACHSA-N 1 1 312.374 -1.151 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1nnn(C(C)(C)C)n1 ZINC001081699555 678103677 /nfs/dbraw/zinc/10/36/77/678103677.db2.gz COZZYOQARZPGMQ-NXEZZACHSA-N 1 1 312.374 -1.151 20 0 DAADMO CCCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](OC)C1 ZINC001081696980 678103715 /nfs/dbraw/zinc/10/37/15/678103715.db2.gz JACISQYMJHUGMG-GHMZBOCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001081773657 678103937 /nfs/dbraw/zinc/10/39/37/678103937.db2.gz DPZUFJAULZOUKN-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001081774110 678104060 /nfs/dbraw/zinc/10/40/60/678104060.db2.gz KKYKNKXXAHSOKL-WDEREUQCSA-N 1 1 314.386 -1.861 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 ZINC001081802842 678106550 /nfs/dbraw/zinc/10/65/50/678106550.db2.gz HFYNXLGNMLFUSZ-VXGBXAGGSA-N 1 1 315.370 -1.693 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnc2n1CCOC2 ZINC001081817248 678106576 /nfs/dbraw/zinc/10/65/76/678106576.db2.gz HQLSGWYJPGYMNU-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnc2n1CCOC2 ZINC001081817248 678106577 /nfs/dbraw/zinc/10/65/77/678106577.db2.gz HQLSGWYJPGYMNU-ZYHUDNBSSA-N 1 1 310.354 -1.165 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001081807572 678106648 /nfs/dbraw/zinc/10/66/48/678106648.db2.gz VKEXOZMNTUDTJT-IVZWLZJFSA-N 1 1 316.333 -1.241 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001081808386 678106721 /nfs/dbraw/zinc/10/67/21/678106721.db2.gz KZQCKWWRBKZXEC-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](OC)C1 ZINC001081868680 678107009 /nfs/dbraw/zinc/10/70/09/678107009.db2.gz XKQACHQCSSMNJJ-CHWSQXEVSA-N 1 1 312.414 -1.014 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001081868300 678107061 /nfs/dbraw/zinc/10/70/61/678107061.db2.gz FEMNWHWBMCMGRV-ZIAGYGMSSA-N 1 1 324.425 -1.014 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001081869302 678107183 /nfs/dbraw/zinc/10/71/83/678107183.db2.gz APASWBUKSBUYAJ-DGCLKSJQSA-N 1 1 312.370 -1.012 20 0 DAADMO COCc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081869302 678107184 /nfs/dbraw/zinc/10/71/84/678107184.db2.gz APASWBUKSBUYAJ-DGCLKSJQSA-N 1 1 312.370 -1.012 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001081915516 678108036 /nfs/dbraw/zinc/10/80/36/678108036.db2.gz JXAOESOXWISHJL-IJLUTSLNSA-N 1 1 314.386 -1.415 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081974853 678108548 /nfs/dbraw/zinc/10/85/48/678108548.db2.gz FSESDCVZUSLHRW-ODXJTPSBSA-N 1 1 314.382 -1.154 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081974853 678108549 /nfs/dbraw/zinc/10/85/49/678108549.db2.gz FSESDCVZUSLHRW-ODXJTPSBSA-N 1 1 314.382 -1.154 20 0 DAADMO CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001081940462 678108567 /nfs/dbraw/zinc/10/85/67/678108567.db2.gz OEAINUWNNTVZEK-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001081940462 678108569 /nfs/dbraw/zinc/10/85/69/678108569.db2.gz OEAINUWNNTVZEK-GHMZBOCLSA-N 1 1 306.326 -1.454 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](OC)C1 ZINC001082019850 678109110 /nfs/dbraw/zinc/10/91/10/678109110.db2.gz RAGLDBSQEDKVCE-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082021245 678109560 /nfs/dbraw/zinc/10/95/60/678109560.db2.gz YWQFLUPTXHUJID-QJPTWQEYSA-N 1 1 314.386 -2.386 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082021244 678109876 /nfs/dbraw/zinc/10/98/76/678109876.db2.gz YWQFLUPTXHUJID-IJLUTSLNSA-N 1 1 314.386 -2.386 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082034715 678110050 /nfs/dbraw/zinc/11/00/50/678110050.db2.gz BQLSLHUXVUYTIF-GHMZBOCLSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001082034715 678110052 /nfs/dbraw/zinc/11/00/52/678110052.db2.gz BQLSLHUXVUYTIF-GHMZBOCLSA-N 1 1 320.357 -1.464 20 0 DAADMO CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C(N)=O ZINC001082087965 678110884 /nfs/dbraw/zinc/11/08/84/678110884.db2.gz SBFOFFKMAHBSRN-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)C(N)=O ZINC001082087965 678110886 /nfs/dbraw/zinc/11/08/86/678110886.db2.gz SBFOFFKMAHBSRN-CHWSQXEVSA-N 1 1 307.350 -1.020 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C(N)=O ZINC001082087946 678110898 /nfs/dbraw/zinc/11/08/98/678110898.db2.gz RLNOTSJCEANWND-GHMZBOCLSA-N 1 1 310.358 -1.804 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C(N)=O ZINC001082087946 678110900 /nfs/dbraw/zinc/11/09/00/678110900.db2.gz RLNOTSJCEANWND-GHMZBOCLSA-N 1 1 310.358 -1.804 20 0 DAADMO CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@H](OC)C2)cn1 ZINC001082087640 678110943 /nfs/dbraw/zinc/11/09/43/678110943.db2.gz CMYVYBNUKRQONZ-VXGBXAGGSA-N 1 1 309.370 -1.254 20 0 DAADMO CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@H](OC)C2)cn1 ZINC001082087640 678110944 /nfs/dbraw/zinc/11/09/44/678110944.db2.gz CMYVYBNUKRQONZ-VXGBXAGGSA-N 1 1 309.370 -1.254 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)C(N)=O ZINC001082089252 678111023 /nfs/dbraw/zinc/11/10/23/678111023.db2.gz SVTIZLDDBZHWDD-GMTAPVOTSA-N 1 1 312.370 -1.797 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001082143077 678111793 /nfs/dbraw/zinc/11/17/93/678111793.db2.gz RITXRECQZWRQGR-GGZOMVNGSA-N 1 1 310.354 -1.077 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)Cn2ncn3nccc3c2=O)[C@H](OC)C1 ZINC001082196292 678112223 /nfs/dbraw/zinc/11/22/23/678112223.db2.gz CBFXWSFEQFVAFY-ZYHUDNBSSA-N 1 1 320.353 -1.274 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001082185251 678112279 /nfs/dbraw/zinc/11/22/79/678112279.db2.gz VFVZGDGQMKZBSE-IVZWLZJFSA-N 1 1 316.333 -1.241 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001082234795 678112589 /nfs/dbraw/zinc/11/25/89/678112589.db2.gz DTDBUUQLLYLALO-FBIMIBRVSA-N 1 1 313.354 -1.765 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1nnnc1C(C)C ZINC001082215258 678112662 /nfs/dbraw/zinc/11/26/62/678112662.db2.gz RMYSTOFZKLEJJU-GHMZBOCLSA-N 1 1 312.374 -1.396 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001082235082 678112710 /nfs/dbraw/zinc/11/27/10/678112710.db2.gz KUEBIFUQBMAKBC-GHMZBOCLSA-N 1 1 313.354 -1.763 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1nc2ncccn2n1 ZINC001082255469 678113619 /nfs/dbraw/zinc/11/36/19/678113619.db2.gz NBLIDGPEWOEHNL-GMTAPVOTSA-N 1 1 320.353 -1.066 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001082317867 678114625 /nfs/dbraw/zinc/11/46/25/678114625.db2.gz LJUNNAWMGPIECS-GHMZBOCLSA-N 1 1 320.357 -1.546 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001082317867 678114626 /nfs/dbraw/zinc/11/46/26/678114626.db2.gz LJUNNAWMGPIECS-GHMZBOCLSA-N 1 1 320.357 -1.546 20 0 DAADMO CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082361020 678115615 /nfs/dbraw/zinc/11/56/15/678115615.db2.gz GEAMPNBQNKBJCK-GHMZBOCLSA-N 1 1 310.354 -1.236 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360882 678115703 /nfs/dbraw/zinc/11/57/03/678115703.db2.gz YJFPKCVKTLQINN-RKDXNWHRSA-N 1 1 300.315 -2.654 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cncn1 ZINC001082359988 678115707 /nfs/dbraw/zinc/11/57/07/678115707.db2.gz FIQPJIBYFSPZOW-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cncn1 ZINC001082359988 678115710 /nfs/dbraw/zinc/11/57/10/678115710.db2.gz FIQPJIBYFSPZOW-VXGBXAGGSA-N 1 1 320.357 -1.615 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001082358722 678115716 /nfs/dbraw/zinc/11/57/16/678115716.db2.gz OEAHCVIMIIXXTP-MVWJERBFSA-N 1 1 310.354 -1.410 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 ZINC001082360987 678115800 /nfs/dbraw/zinc/11/58/00/678115800.db2.gz DSNLMFFDDUFABR-NXEZZACHSA-N 1 1 323.353 -1.349 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](OC)C1 ZINC001082360987 678115802 /nfs/dbraw/zinc/11/58/02/678115802.db2.gz DSNLMFFDDUFABR-NXEZZACHSA-N 1 1 323.353 -1.349 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082361387 678115984 /nfs/dbraw/zinc/11/59/84/678115984.db2.gz ZGBBERMNZYJIRI-IVZWLZJFSA-N 1 1 314.342 -2.266 20 0 DAADMO CO[C@@H]1CN(Cc2nnnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368570 678116087 /nfs/dbraw/zinc/11/60/87/678116087.db2.gz HETQULJFZZVNPF-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](OC)C1 ZINC001082374465 678116140 /nfs/dbraw/zinc/11/61/40/678116140.db2.gz DJJPFLHZVQGLLV-HBNTYKKESA-N 1 1 305.400 -1.097 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001082374546 678116180 /nfs/dbraw/zinc/11/61/80/678116180.db2.gz HGUPEEYLQSHLNB-HBNTYKKESA-N 1 1 305.400 -1.098 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1COCCN1C(C)=O ZINC001082377366 678116567 /nfs/dbraw/zinc/11/65/67/678116567.db2.gz NJHYVEVVNJRVHM-JHJVBQTASA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001082385284 678116676 /nfs/dbraw/zinc/11/66/76/678116676.db2.gz PHZABNQPXVXFLJ-ZYHUDNBSSA-N 1 1 324.385 -1.152 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001082382782 678116682 /nfs/dbraw/zinc/11/66/82/678116682.db2.gz UIACRARCPDCFIF-JHJVBQTASA-N 1 1 323.397 -1.043 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cccnc1C(N)=O ZINC001082380378 678116884 /nfs/dbraw/zinc/11/68/84/678116884.db2.gz NBGRKYHVPAKQKY-VXGBXAGGSA-N 1 1 322.365 -1.008 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001082386895 678116973 /nfs/dbraw/zinc/11/69/73/678116973.db2.gz APKJQKIPILXFDA-CKYFFXLPSA-N 1 1 312.370 -1.466 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082430636 678117085 /nfs/dbraw/zinc/11/70/85/678117085.db2.gz VWUAIXWOEDTVTE-GMTAPVOTSA-N 1 1 310.358 -1.438 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001082395318 678117252 /nfs/dbraw/zinc/11/72/52/678117252.db2.gz PZBZHRMPZUAGOD-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1ccnc1 ZINC001082395318 678117254 /nfs/dbraw/zinc/11/72/54/678117254.db2.gz PZBZHRMPZUAGOD-CHWSQXEVSA-N 1 1 319.369 -1.010 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nncn1C ZINC001082419750 678117330 /nfs/dbraw/zinc/11/73/30/678117330.db2.gz RVUZSDIMOPJWFT-GMTAPVOTSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)c1nncn1C ZINC001082419751 678117365 /nfs/dbraw/zinc/11/73/65/678117365.db2.gz RVUZSDIMOPJWFT-OUAUKWLOSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082458032 678117464 /nfs/dbraw/zinc/11/74/64/678117464.db2.gz UUXMTRQOWBUCKA-IJLUTSLNSA-N 1 1 323.401 -1.523 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082496270 678117624 /nfs/dbraw/zinc/11/76/24/678117624.db2.gz LXSVLLFFBLKNTJ-RKDXNWHRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082472489 678117751 /nfs/dbraw/zinc/11/77/51/678117751.db2.gz NECPPKHUIRBFRM-OUAUKWLOSA-N 1 1 321.385 -1.327 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C)c1nnnn1C ZINC001082535027 678117955 /nfs/dbraw/zinc/11/79/55/678117955.db2.gz NHINUTGFWOGPOL-OUAUKWLOSA-N 1 1 319.373 -1.001 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)c1nnnn1C ZINC001082514098 678118124 /nfs/dbraw/zinc/11/81/24/678118124.db2.gz JLQUBPZBVWFKBA-OPRDCNLKSA-N 1 1 320.361 -1.606 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082684421 678118841 /nfs/dbraw/zinc/11/88/41/678118841.db2.gz AVKBQHGLPKDLIY-MXWKQRLJSA-N 1 1 321.385 -1.225 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001082679102 678118937 /nfs/dbraw/zinc/11/89/37/678118937.db2.gz UQOLKEAUVYSNSZ-SZEHBUNVSA-N 1 1 320.353 -1.032 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082684420 678118949 /nfs/dbraw/zinc/11/89/49/678118949.db2.gz AVKBQHGLPKDLIY-GMTAPVOTSA-N 1 1 321.385 -1.225 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082714774 678119232 /nfs/dbraw/zinc/11/92/32/678119232.db2.gz AJHCPRHWLSZKJY-OPRDCNLKSA-N 1 1 307.358 -1.567 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001082714966 678119264 /nfs/dbraw/zinc/11/92/64/678119264.db2.gz HXSGFPXRVVGYSB-OUAUKWLOSA-N 1 1 321.385 -1.084 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082714365 678119283 /nfs/dbraw/zinc/11/92/83/678119283.db2.gz FOVBXHIMNYOPAY-KXUCPTDWSA-N 1 1 307.358 -1.567 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C)n1 ZINC001082715295 678119304 /nfs/dbraw/zinc/11/93/04/678119304.db2.gz SLYKKWMNUKPLJZ-ADEWGFFLSA-N 1 1 321.385 -1.084 20 0 DAADMO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001082714668 678119309 /nfs/dbraw/zinc/11/93/09/678119309.db2.gz WAAQAPCSFVGWEG-AVPPRXQKSA-N 1 1 308.342 -1.004 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082684312 678119342 /nfs/dbraw/zinc/11/93/42/678119342.db2.gz WICDSSCWCSDFLO-YUSALJHKSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082714605 678119344 /nfs/dbraw/zinc/11/93/44/678119344.db2.gz RQGRZSIANUUCIP-HRDYMLBCSA-N 1 1 308.346 -2.172 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082714366 678119373 /nfs/dbraw/zinc/11/93/73/678119373.db2.gz FOVBXHIMNYOPAY-OPRDCNLKSA-N 1 1 307.358 -1.567 20 0 DAADMO C[C@H]([NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)c1nnnn1C1CC1 ZINC001082716418 678119378 /nfs/dbraw/zinc/11/93/78/678119378.db2.gz JSERGWRZEVGLFZ-KHQFGBGNSA-N 1 1 307.358 -1.009 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082744480 678119702 /nfs/dbraw/zinc/11/97/02/678119702.db2.gz ODOLDEWUFHOPGF-KXGXSXBTSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082744179 678119711 /nfs/dbraw/zinc/11/97/11/678119711.db2.gz WMLVFJGLOFICQC-DOLQZWNJSA-N 1 1 307.358 -1.732 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082994968 678120459 /nfs/dbraw/zinc/12/04/59/678120459.db2.gz KNDVAKWVSSGRED-OUAUKWLOSA-N 1 1 321.341 -2.527 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001082994968 678120461 /nfs/dbraw/zinc/12/04/61/678120461.db2.gz KNDVAKWVSSGRED-OUAUKWLOSA-N 1 1 321.341 -2.527 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CN3CCCC3=O)[C@H]2C1 ZINC001082994790 678120582 /nfs/dbraw/zinc/12/05/82/678120582.db2.gz BHHBTZFHHVEWMJ-RWMBFGLXSA-N 1 1 311.382 -1.099 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082969249 678120615 /nfs/dbraw/zinc/12/06/15/678120615.db2.gz KLWMHBYXKJWFLI-OUAUKWLOSA-N 1 1 311.338 -1.650 20 0 DAADMO COCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]21 ZINC001082969249 678120617 /nfs/dbraw/zinc/12/06/17/678120617.db2.gz KLWMHBYXKJWFLI-OUAUKWLOSA-N 1 1 311.338 -1.650 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083012634 678120847 /nfs/dbraw/zinc/12/08/47/678120847.db2.gz WJWJSRQNEUCWRB-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C(c1cn[nH]c1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083012634 678120849 /nfs/dbraw/zinc/12/08/49/678120849.db2.gz WJWJSRQNEUCWRB-GRYCIOLGSA-N 1 1 305.338 -1.177 20 0 DAADMO O=C([C@H]1COCCO1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083009071 678121053 /nfs/dbraw/zinc/12/10/53/678121053.db2.gz GNXVKXTXBKOFGF-YNEHKIRRSA-N 1 1 300.355 -1.304 20 0 DAADMO Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)cn1 ZINC001083029728 678121167 /nfs/dbraw/zinc/12/11/67/678121167.db2.gz CHHMTBWUQMVUBL-QWHCGFSZSA-N 1 1 321.381 -1.250 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083029800 678121187 /nfs/dbraw/zinc/12/11/87/678121187.db2.gz GTGAOVMFWCPTJW-WDEREUQCSA-N 1 1 308.342 -1.935 20 0 DAADMO NC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083029800 678121189 /nfs/dbraw/zinc/12/11/89/678121189.db2.gz GTGAOVMFWCPTJW-WDEREUQCSA-N 1 1 308.342 -1.935 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC(N)=O)[C@H]3C2)C1=O ZINC001083030677 678121630 /nfs/dbraw/zinc/12/16/30/678121630.db2.gz YFLBBCHVVJONLU-SDDRHHMPSA-N 1 1 324.381 -1.606 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083073027 678121717 /nfs/dbraw/zinc/12/17/17/678121717.db2.gz LIEYHEIZPLRQIS-GARJFASQSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1cnc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]32)n1 ZINC001083073027 678121718 /nfs/dbraw/zinc/12/17/18/678121718.db2.gz LIEYHEIZPLRQIS-GARJFASQSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]32)nn1 ZINC001083072154 678121781 /nfs/dbraw/zinc/12/17/81/678121781.db2.gz URYVPVMSZMAJON-GRYCIOLGSA-N 1 1 320.353 -1.771 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]32)nn1 ZINC001083072154 678121784 /nfs/dbraw/zinc/12/17/84/678121784.db2.gz URYVPVMSZMAJON-GRYCIOLGSA-N 1 1 320.353 -1.771 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC001083057003 678122333 /nfs/dbraw/zinc/12/23/33/678122333.db2.gz NMYIKHLUEXQKGB-WDEREUQCSA-N 1 1 311.342 -1.458 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3ccnn3)[C@H]2C1 ZINC001083063060 678122510 /nfs/dbraw/zinc/12/25/10/678122510.db2.gz QJHOAKWODYHPSA-FRRDWIJNSA-N 1 1 309.370 -1.039 20 0 DAADMO CC(C)(O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083066504 678122623 /nfs/dbraw/zinc/12/26/23/678122623.db2.gz FNXNNRCOUCZEAH-SDDRHHMPSA-N 1 1 311.382 -1.053 20 0 DAADMO CC(C)(O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083066504 678122626 /nfs/dbraw/zinc/12/26/26/678122626.db2.gz FNXNNRCOUCZEAH-SDDRHHMPSA-N 1 1 311.382 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3ccnn3)[C@H]2C1 ZINC001083063061 678122765 /nfs/dbraw/zinc/12/27/65/678122765.db2.gz QJHOAKWODYHPSA-RWMBFGLXSA-N 1 1 309.370 -1.039 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]21 ZINC001083083263 678122939 /nfs/dbraw/zinc/12/29/39/678122939.db2.gz LYFVOPAGEQAAGJ-FRRDWIJNSA-N 1 1 322.369 -1.379 20 0 DAADMO O=C([C@H]1CCCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083112491 678123101 /nfs/dbraw/zinc/12/31/01/678123101.db2.gz DCGKGWAAZVTGGK-FRRDWIJNSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083104296 678123629 /nfs/dbraw/zinc/12/36/29/678123629.db2.gz ZHHRESMHUWATOC-FRRDWIJNSA-N 1 1 311.382 -1.193 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 ZINC001083099559 678123669 /nfs/dbraw/zinc/12/36/69/678123669.db2.gz QHYWLNUVTPSLQE-NWDGAFQWSA-N 1 1 322.365 -1.522 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083138390 678124346 /nfs/dbraw/zinc/12/43/46/678124346.db2.gz VDHQOYBPFZEXGT-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(C[C@@H]1CCCC(=O)N1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083138390 678124347 /nfs/dbraw/zinc/12/43/47/678124347.db2.gz VDHQOYBPFZEXGT-RWMBFGLXSA-N 1 1 311.382 -1.051 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083132688 678124399 /nfs/dbraw/zinc/12/43/99/678124399.db2.gz ILXQEEFQGLAZCX-WCFLWFBJSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083132688 678124400 /nfs/dbraw/zinc/12/44/00/678124400.db2.gz ILXQEEFQGLAZCX-WCFLWFBJSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083132687 678124529 /nfs/dbraw/zinc/12/45/29/678124529.db2.gz ILXQEEFQGLAZCX-KGYLQXTDSA-N 1 1 319.365 -1.166 20 0 DAADMO Cn1cncc1C(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001083132687 678124531 /nfs/dbraw/zinc/12/45/31/678124531.db2.gz ILXQEEFQGLAZCX-KGYLQXTDSA-N 1 1 319.365 -1.166 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)cn3)[C@H]2C1 ZINC001083148853 678124556 /nfs/dbraw/zinc/12/45/56/678124556.db2.gz JUAWLORRYONQQO-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)cn3)[C@H]2C1 ZINC001083148853 678124559 /nfs/dbraw/zinc/12/45/59/678124559.db2.gz JUAWLORRYONQQO-QWHCGFSZSA-N 1 1 322.365 -1.048 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)n1 ZINC001083167457 678124770 /nfs/dbraw/zinc/12/47/70/678124770.db2.gz PJSNBRVVXJYQKV-SDDRHHMPSA-N 1 1 322.369 -1.228 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083159517 678124836 /nfs/dbraw/zinc/12/48/36/678124836.db2.gz FXXOMTKAKSEEEP-GARJFASQSA-N 1 1 320.353 -1.473 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001083159517 678124838 /nfs/dbraw/zinc/12/48/38/678124838.db2.gz FXXOMTKAKSEEEP-GARJFASQSA-N 1 1 320.353 -1.473 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083165601 678124873 /nfs/dbraw/zinc/12/48/73/678124873.db2.gz DFCDVRREENYHFG-GARJFASQSA-N 1 1 310.358 -1.230 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C)n3)[C@H]2C1 ZINC001083165601 678124874 /nfs/dbraw/zinc/12/48/74/678124874.db2.gz DFCDVRREENYHFG-GARJFASQSA-N 1 1 310.358 -1.230 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)NC1=O ZINC001083162744 678124882 /nfs/dbraw/zinc/12/48/82/678124882.db2.gz GHOHMCHTAIBFHA-GRYCIOLGSA-N 1 1 312.370 -1.696 20 0 DAADMO Cn1cc(OCC(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cn1 ZINC001083176668 678125300 /nfs/dbraw/zinc/12/53/00/678125300.db2.gz HNEBXLKTVRYNOM-QWHCGFSZSA-N 1 1 310.354 -1.297 20 0 DAADMO Cn1cc(OCC(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cn1 ZINC001083176668 678125302 /nfs/dbraw/zinc/12/53/02/678125302.db2.gz HNEBXLKTVRYNOM-QWHCGFSZSA-N 1 1 310.354 -1.297 20 0 DAADMO COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cn3)[C@H]2C1 ZINC001083177662 678125316 /nfs/dbraw/zinc/12/53/16/678125316.db2.gz HJNYOHUQKSEQFX-NWDGAFQWSA-N 1 1 308.338 -1.059 20 0 DAADMO COCC[N@H+]1C[C@H]2OCCN(C(=O)c3c[nH]c(=O)cn3)[C@H]2C1 ZINC001083177662 678125317 /nfs/dbraw/zinc/12/53/17/678125317.db2.gz HJNYOHUQKSEQFX-NWDGAFQWSA-N 1 1 308.338 -1.059 20 0 DAADMO CN1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)C1=O ZINC001083168145 678125320 /nfs/dbraw/zinc/12/53/20/678125320.db2.gz NADOBAVXXZQQTP-RWMBFGLXSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181094 678125576 /nfs/dbraw/zinc/12/55/76/678125576.db2.gz OQBOGEHAHZPSPC-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C(N)=O)[C@H]3C2)C1=O ZINC001083181094 678125578 /nfs/dbraw/zinc/12/55/78/678125578.db2.gz OQBOGEHAHZPSPC-GARJFASQSA-N 1 1 310.354 -1.996 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065253700 678126873 /nfs/dbraw/zinc/12/68/73/678126873.db2.gz MDRPYLNGCFTYEO-JTQLQIEISA-N 1 1 300.359 -1.845 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001065254304 678126878 /nfs/dbraw/zinc/12/68/78/678126878.db2.gz UBJRIUOBZMKYCV-LLVKDONJSA-N 1 1 314.386 -1.454 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065352220 678128594 /nfs/dbraw/zinc/12/85/94/678128594.db2.gz VTGZYMMQDCOTKY-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001065409295 678129169 /nfs/dbraw/zinc/12/91/69/678129169.db2.gz KIVHUJOTJPNFJZ-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552069 678131962 /nfs/dbraw/zinc/13/19/62/678131962.db2.gz FJKUBYUYLATXIW-SNVBAGLBSA-N 1 1 309.326 -1.980 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001065552943 678132577 /nfs/dbraw/zinc/13/25/77/678132577.db2.gz QVKSBSVMBYYSFD-SNVBAGLBSA-N 1 1 300.359 -1.843 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001065621845 678135013 /nfs/dbraw/zinc/13/50/13/678135013.db2.gz OMZJLDDFVZPOJU-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001065642909 678135340 /nfs/dbraw/zinc/13/53/40/678135340.db2.gz YWVWPABDUAMESM-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001041052225 678144615 /nfs/dbraw/zinc/14/46/15/678144615.db2.gz FHAFZUYKOSLVBS-GXFFZTMASA-N 1 1 307.358 -1.529 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041063956 678146002 /nfs/dbraw/zinc/14/60/02/678146002.db2.gz OVXJWEVKZYLBSQ-MRVPVSSYSA-N 1 1 307.297 -1.728 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(F)F)C2)C1 ZINC001041063956 678146004 /nfs/dbraw/zinc/14/60/04/678146004.db2.gz OVXJWEVKZYLBSQ-MRVPVSSYSA-N 1 1 307.297 -1.728 20 0 DAADMO COCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001041073951 678146703 /nfs/dbraw/zinc/14/67/03/678146703.db2.gz FBHJRFXZRZKBPF-NWDGAFQWSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCO ZINC001072098855 678152454 /nfs/dbraw/zinc/15/24/54/678152454.db2.gz HKODBKSDHCTURD-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C[N@H+]1CCO ZINC001072098858 678152601 /nfs/dbraw/zinc/15/26/01/678152601.db2.gz HKODBKSDHCTURD-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072099716 678152665 /nfs/dbraw/zinc/15/26/65/678152665.db2.gz WKVQBVISTMDBDT-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001072136071 678153230 /nfs/dbraw/zinc/15/32/30/678153230.db2.gz QSIPXLDAGICYNO-GXSJLCMTSA-N 1 1 322.369 -1.177 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001072162041 678153748 /nfs/dbraw/zinc/15/37/48/678153748.db2.gz UPDXOIBUKPFETQ-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1C[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001072286275 678155460 /nfs/dbraw/zinc/15/54/60/678155460.db2.gz IHSJTDFRIXKUQV-RYUDHWBXSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1cnn[nH]1 ZINC001072430762 678156351 /nfs/dbraw/zinc/15/63/51/678156351.db2.gz XYKNLKTVGMACOO-ZYHUDNBSSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001072432595 678156373 /nfs/dbraw/zinc/15/63/73/678156373.db2.gz KMXRUROFYLLILR-GHMZBOCLSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001072432595 678156375 /nfs/dbraw/zinc/15/63/75/678156375.db2.gz KMXRUROFYLLILR-GHMZBOCLSA-N 1 1 324.385 -1.040 20 0 DAADMO C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)c1cnn[nH]1 ZINC001072430760 678156381 /nfs/dbraw/zinc/15/63/81/678156381.db2.gz XYKNLKTVGMACOO-JQWIXIFHSA-N 1 1 324.385 -1.040 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cn4cnnn4)C3)C2)C1=O ZINC001072451951 678156928 /nfs/dbraw/zinc/15/69/28/678156928.db2.gz WJFMIJHZDAQCOO-LLVKDONJSA-N 1 1 319.369 -1.562 20 0 DAADMO O=C(Cn1cnnn1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072451872 678157003 /nfs/dbraw/zinc/15/70/03/678157003.db2.gz SNQHQHZECILRHV-UHFFFAOYSA-N 1 1 317.357 -1.501 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1C[C@H](NC(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001072480685 678157309 /nfs/dbraw/zinc/15/73/09/678157309.db2.gz IBPWWVHSIMENJL-RYUDHWBXSA-N 1 1 323.401 -1.022 20 0 DAADMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072571544 678158676 /nfs/dbraw/zinc/15/86/76/678158676.db2.gz VLOZWGOJVBWOPQ-GFCCVEGCSA-N 1 1 321.381 -1.346 20 0 DAADMO CN1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H]2CCNC2=O)C3)C1 ZINC001072577722 678158875 /nfs/dbraw/zinc/15/88/75/678158875.db2.gz AXELRASZJBICGY-QWHCGFSZSA-N 1 1 322.409 -1.260 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001072580736 678159067 /nfs/dbraw/zinc/15/90/67/678159067.db2.gz ISIBUORHCLPAQE-QWHCGFSZSA-N 1 1 324.425 -1.014 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001072615191 678159549 /nfs/dbraw/zinc/15/95/49/678159549.db2.gz FZNUVICVTCUZFS-QWRGUYRKSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C([C@@H]1CCNC(=O)C1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001072615680 678159558 /nfs/dbraw/zinc/15/95/58/678159558.db2.gz XRNFGBIHHDYHNR-NEPJUHHUSA-N 1 1 320.393 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072631405 678159964 /nfs/dbraw/zinc/15/99/64/678159964.db2.gz YIWHVFKBLFNUCJ-UHFFFAOYSA-N 1 1 310.398 -1.401 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072631405 678159965 /nfs/dbraw/zinc/15/99/65/678159965.db2.gz YIWHVFKBLFNUCJ-UHFFFAOYSA-N 1 1 310.398 -1.401 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)CN3CCOCC3)C2)C1 ZINC001072630870 678159978 /nfs/dbraw/zinc/15/99/78/678159978.db2.gz DBDINQSCLPVBQH-UHFFFAOYSA-N 1 1 324.425 -1.059 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3COCCN3C)C2)C1 ZINC001072645932 678161481 /nfs/dbraw/zinc/16/14/81/678161481.db2.gz SZGQPZAZEFWSGK-CHWSQXEVSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3COCCN3C)C2)C1 ZINC001072645935 678161617 /nfs/dbraw/zinc/16/16/17/678161617.db2.gz SZGQPZAZEFWSGK-STQMWFEESA-N 1 1 324.425 -1.014 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647926 678161895 /nfs/dbraw/zinc/16/18/95/678161895.db2.gz GUVBJGNZZGSUFZ-SNVBAGLBSA-N 1 1 322.369 -1.218 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(N)=O)C3)C1 ZINC001072667347 678161931 /nfs/dbraw/zinc/16/19/31/678161931.db2.gz JYMMTVOHUHNHIO-SNVBAGLBSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001072647942 678162058 /nfs/dbraw/zinc/16/20/58/678162058.db2.gz HLRZRPDOXAAUIJ-VIFPVBQESA-N 1 1 308.342 -1.608 20 0 DAADMO CC(=O)N1CC(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)C1 ZINC001072667291 678162085 /nfs/dbraw/zinc/16/20/85/678162085.db2.gz GVJXIUJVZPYVNF-CYBMUJFWSA-N 1 1 320.393 -1.113 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686006 678162360 /nfs/dbraw/zinc/16/23/60/678162360.db2.gz AIVMSGDIKOEORS-VHSXEESVSA-N 1 1 310.354 -1.236 20 0 DAADMO Cn1cc(C(=O)N2CC3(C2)CC[N@H+]([C@@H]2CCNC2=O)C3)nn1 ZINC001072695199 678162465 /nfs/dbraw/zinc/16/24/65/678162465.db2.gz PSUMHMZTWWVKRN-LLVKDONJSA-N 1 1 304.354 -1.149 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072686809 678162502 /nfs/dbraw/zinc/16/25/02/678162502.db2.gz XLXGCJWIYUVSSN-GHMZBOCLSA-N 1 1 322.365 -1.092 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686227 678162589 /nfs/dbraw/zinc/16/25/89/678162589.db2.gz GPUSRXRSJNTJCD-NXEZZACHSA-N 1 1 310.354 -1.107 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cnc(C(N)=O)n3)C2)C1 ZINC001072752681 678163549 /nfs/dbraw/zinc/16/35/49/678163549.db2.gz XBAMDIHHMGOASZ-JTQLQIEISA-N 1 1 322.369 -1.708 20 0 DAADMO O=C(Cn1nccn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072783133 678164626 /nfs/dbraw/zinc/16/46/26/678164626.db2.gz VWRTUTZRCDJZHT-LLVKDONJSA-N 1 1 304.354 -1.299 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCNC3=O)C2)C1 ZINC001072831516 678164913 /nfs/dbraw/zinc/16/49/13/678164913.db2.gz RJPJCDQWCMCJPP-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822868 678165220 /nfs/dbraw/zinc/16/52/20/678165220.db2.gz VZPAMGBKGIMUQQ-ZJUUUORDSA-N 1 1 310.354 -1.500 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001072822324 678165235 /nfs/dbraw/zinc/16/52/35/678165235.db2.gz ASHLKLIXPRLPHD-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072886568 678165497 /nfs/dbraw/zinc/16/54/97/678165497.db2.gz WGPBBXOEYACQEO-WDEREUQCSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 ZINC001072886565 678165546 /nfs/dbraw/zinc/16/55/46/678165546.db2.gz WGPBBXOEYACQEO-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO O=C(c1cn[nH]n1)N1CC2(C1)CC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072888645 678165580 /nfs/dbraw/zinc/16/55/80/678165580.db2.gz SBRGXKLTRUEWHX-SNVBAGLBSA-N 1 1 318.337 -1.242 20 0 DAADMO O=C(c1cn[nH]n1)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001072888746 678165689 /nfs/dbraw/zinc/16/56/89/678165689.db2.gz XWTXDMFGDBLCBJ-UHFFFAOYSA-N 1 1 319.369 -1.022 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCN(C)C(=O)C3)C2)C1 ZINC001072874939 678165698 /nfs/dbraw/zinc/16/56/98/678165698.db2.gz IDHCHRACFRGDHN-CYBMUJFWSA-N 1 1 324.425 -1.325 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)c1=O ZINC001072881027 678165729 /nfs/dbraw/zinc/16/57/29/678165729.db2.gz BDETXEHDZRYBNS-UHFFFAOYSA-N 1 1 308.342 -2.399 20 0 DAADMO Cn1cnn(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)c1=O ZINC001072881027 678165730 /nfs/dbraw/zinc/16/57/30/678165730.db2.gz BDETXEHDZRYBNS-UHFFFAOYSA-N 1 1 308.342 -2.399 20 0 DAADMO CN1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)CC1=O ZINC001072868086 678165747 /nfs/dbraw/zinc/16/57/47/678165747.db2.gz ZEFAADAVYQYKOY-UHFFFAOYSA-N 1 1 324.425 -1.323 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072929903 678166043 /nfs/dbraw/zinc/16/60/43/678166043.db2.gz XLBBBNXORIGCEF-QWRGUYRKSA-N 1 1 321.381 -1.519 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901449 678166114 /nfs/dbraw/zinc/16/61/14/678166114.db2.gz ROMJFKQTKUTXCH-UHFFFAOYSA-N 1 1 321.337 -2.032 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901449 678166115 /nfs/dbraw/zinc/16/61/15/678166115.db2.gz ROMJFKQTKUTXCH-UHFFFAOYSA-N 1 1 321.337 -2.032 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 ZINC001072901483 678166186 /nfs/dbraw/zinc/16/61/86/678166186.db2.gz UDLYPWMBXNKAMB-LLVKDONJSA-N 1 1 322.365 -1.136 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001072929838 678166217 /nfs/dbraw/zinc/16/62/17/678166217.db2.gz VXNDLEGTMUDMLL-VHSXEESVSA-N 1 1 307.354 -1.909 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072929902 678166261 /nfs/dbraw/zinc/16/62/61/678166261.db2.gz XLBBBNXORIGCEF-MNOVXSKESA-N 1 1 321.381 -1.519 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072936070 678166568 /nfs/dbraw/zinc/16/65/68/678166568.db2.gz OFEMCYPFXCXUDT-NSHDSACASA-N 1 1 308.382 -1.078 20 0 DAADMO O=C(C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1)N1CCC1 ZINC001072932914 678166614 /nfs/dbraw/zinc/16/66/14/678166614.db2.gz ZEWJTJPMYNLZMH-LLVKDONJSA-N 1 1 321.381 -1.566 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072932499 678166705 /nfs/dbraw/zinc/16/67/05/678166705.db2.gz UWECKBGUGOPGGA-LLVKDONJSA-N 1 1 319.369 -1.506 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072937551 678166815 /nfs/dbraw/zinc/16/68/15/678166815.db2.gz DZPFHDBOFHHDBC-UHFFFAOYSA-N 1 1 309.326 -2.442 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001072934694 678166855 /nfs/dbraw/zinc/16/68/55/678166855.db2.gz QLZFESRZEPJUPD-UHFFFAOYSA-N 1 1 323.353 -3.036 20 0 DAADMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001072934694 678166857 /nfs/dbraw/zinc/16/68/57/678166857.db2.gz QLZFESRZEPJUPD-UHFFFAOYSA-N 1 1 323.353 -3.036 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@]3(C)CCNC3=O)C2)C1 ZINC001072975911 678167240 /nfs/dbraw/zinc/16/72/40/678167240.db2.gz OSDVPRPCDPWVLO-YGRLFVJLSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4C[C@H]4C(N)=O)C3)C2)C1=O ZINC001072986226 678167306 /nfs/dbraw/zinc/16/73/06/678167306.db2.gz MJODDGOIFHPMEG-GRYCIOLGSA-N 1 1 320.393 -1.127 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072977298 678167321 /nfs/dbraw/zinc/16/73/21/678167321.db2.gz VFSVAXPMDZCFDQ-OUAUKWLOSA-N 1 1 324.381 -1.573 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)O1 ZINC001072977231 678167336 /nfs/dbraw/zinc/16/73/36/678167336.db2.gz SBEHNCPUSOKQHE-NWDGAFQWSA-N 1 1 311.382 -1.064 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072978201 678167347 /nfs/dbraw/zinc/16/73/47/678167347.db2.gz IHYNJMRGPICTEF-VHSXEESVSA-N 1 1 310.354 -1.961 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 ZINC001072978201 678167350 /nfs/dbraw/zinc/16/73/50/678167350.db2.gz IHYNJMRGPICTEF-VHSXEESVSA-N 1 1 310.354 -1.961 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073043262 678167688 /nfs/dbraw/zinc/16/76/88/678167688.db2.gz QUBIKNHBWDBTHP-UHFFFAOYSA-N 1 1 321.385 -1.184 20 0 DAADMO CC(C)c1nnnn1CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073043262 678167690 /nfs/dbraw/zinc/16/76/90/678167690.db2.gz QUBIKNHBWDBTHP-UHFFFAOYSA-N 1 1 321.385 -1.184 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001073053298 678167808 /nfs/dbraw/zinc/16/78/08/678167808.db2.gz DIGJGLCIRLLFON-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1 ZINC001073053298 678167809 /nfs/dbraw/zinc/16/78/09/678167809.db2.gz DIGJGLCIRLLFON-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020322 678167840 /nfs/dbraw/zinc/16/78/40/678167840.db2.gz SZNVVXOUESYVHS-IUCAKERBSA-N 1 1 323.353 -2.007 20 0 DAADMO COCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001073020001 678167918 /nfs/dbraw/zinc/16/79/18/678167918.db2.gz FOCXTFHFXMPZBI-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073062524 678168167 /nfs/dbraw/zinc/16/81/67/678168167.db2.gz DXVUWULTEFDCOQ-UHFFFAOYSA-N 1 1 322.365 -1.547 20 0 DAADMO O=C(CCn1cnnn1)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001073077228 678168198 /nfs/dbraw/zinc/16/81/98/678168198.db2.gz LZJJSVPLYXPIGD-LLVKDONJSA-N 1 1 319.369 -1.514 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001073057454 678168209 /nfs/dbraw/zinc/16/82/09/678168209.db2.gz ZKNNHUJYWJOADH-SECBINFHSA-N 1 1 322.365 -1.553 20 0 DAADMO O=C(CCn1cnnn1)N1CC2(C1)CC[N@H+]([C@H]1CCNC1=O)C2 ZINC001073077229 678168238 /nfs/dbraw/zinc/16/82/38/678168238.db2.gz LZJJSVPLYXPIGD-NSHDSACASA-N 1 1 319.369 -1.514 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001073060905 678168247 /nfs/dbraw/zinc/16/82/47/678168247.db2.gz QASUJWMBJOVMHF-VIFPVBQESA-N 1 1 323.353 -2.054 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073062934 678168350 /nfs/dbraw/zinc/16/83/50/678168350.db2.gz ZLCCWYVLOIYEMU-UHFFFAOYSA-N 1 1 310.354 -1.545 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CCn3cnnn3)C2)C1 ZINC001073077332 678168423 /nfs/dbraw/zinc/16/84/23/678168423.db2.gz SMBLWCATNSFWIF-SNVBAGLBSA-N 1 1 307.358 -1.529 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073137726 678168708 /nfs/dbraw/zinc/16/87/08/678168708.db2.gz HJYIWTLYKAESTR-MNOVXSKESA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(=O)NC3=O)C2)C1 ZINC001073109203 678168736 /nfs/dbraw/zinc/16/87/36/678168736.db2.gz VXCQXMRJQFOSIX-NSHDSACASA-N 1 1 324.381 -1.157 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073156143 678169308 /nfs/dbraw/zinc/16/93/08/678169308.db2.gz HVKHSHQCWXIZGM-LBPRGKRZSA-N 1 1 308.382 -1.126 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073156143 678169312 /nfs/dbraw/zinc/16/93/12/678169312.db2.gz HVKHSHQCWXIZGM-LBPRGKRZSA-N 1 1 308.382 -1.126 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073156142 678169387 /nfs/dbraw/zinc/16/93/87/678169387.db2.gz HVKHSHQCWXIZGM-GFCCVEGCSA-N 1 1 308.382 -1.126 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073156142 678169388 /nfs/dbraw/zinc/16/93/88/678169388.db2.gz HVKHSHQCWXIZGM-GFCCVEGCSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1=O ZINC001073412367 678170560 /nfs/dbraw/zinc/17/05/60/678170560.db2.gz NOUOBUKBTRKIKE-UHFFFAOYSA-N 1 1 323.353 -2.100 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1=O ZINC001073412367 678170561 /nfs/dbraw/zinc/17/05/61/678170561.db2.gz NOUOBUKBTRKIKE-UHFFFAOYSA-N 1 1 323.353 -2.100 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073412277 678170582 /nfs/dbraw/zinc/17/05/82/678170582.db2.gz JJDJFBSJWRMOJC-UHFFFAOYSA-N 1 1 310.354 -1.545 20 0 DAADMO NC(=O)c1nccnc1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073415286 678171214 /nfs/dbraw/zinc/17/12/14/678171214.db2.gz WMACZYGWATWDDW-UHFFFAOYSA-N 1 1 305.338 -1.284 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC001073457390 678171264 /nfs/dbraw/zinc/17/12/64/678171264.db2.gz NOJBSYKWYYQVAA-SNVBAGLBSA-N 1 1 322.369 -1.708 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073443127 678171446 /nfs/dbraw/zinc/17/14/46/678171446.db2.gz BPTRXKZNWADGHM-LBPRGKRZSA-N 1 1 324.381 -1.747 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073443127 678171449 /nfs/dbraw/zinc/17/14/49/678171449.db2.gz BPTRXKZNWADGHM-LBPRGKRZSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001073454868 678171629 /nfs/dbraw/zinc/17/16/29/678171629.db2.gz TUPDOSDLMLUKEH-NSHDSACASA-N 1 1 318.381 -1.140 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC001073454868 678171631 /nfs/dbraw/zinc/17/16/31/678171631.db2.gz TUPDOSDLMLUKEH-NSHDSACASA-N 1 1 318.381 -1.140 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1=O ZINC001073412526 678171718 /nfs/dbraw/zinc/17/17/18/678171718.db2.gz UZYAHZXYUCKVGE-UHFFFAOYSA-N 1 1 324.381 -1.203 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073495780 678172051 /nfs/dbraw/zinc/17/20/51/678172051.db2.gz SSRSULOBDNDRSI-NSHDSACASA-N 1 1 309.366 -1.044 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CCC1=O ZINC001073463512 678172268 /nfs/dbraw/zinc/17/22/68/678172268.db2.gz IEBXOKZVFGMDCQ-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CCC1=O ZINC001073463512 678172270 /nfs/dbraw/zinc/17/22/70/678172270.db2.gz IEBXOKZVFGMDCQ-LLVKDONJSA-N 1 1 308.382 -1.126 20 0 DAADMO CC(=O)NC[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCCO1 ZINC001073497122 678172675 /nfs/dbraw/zinc/17/26/75/678172675.db2.gz ASYAJSNSJLPYKF-ZDUSSCGKSA-N 1 1 324.381 -1.189 20 0 DAADMO CC(=O)NC[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCCO1 ZINC001073497122 678172678 /nfs/dbraw/zinc/17/26/78/678172678.db2.gz ASYAJSNSJLPYKF-ZDUSSCGKSA-N 1 1 324.381 -1.189 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073526667 678172794 /nfs/dbraw/zinc/17/27/94/678172794.db2.gz HYFSPTMRDIYPSQ-QWRGUYRKSA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)C2=COCCO2)C1 ZINC001073526667 678172797 /nfs/dbraw/zinc/17/27/97/678172797.db2.gz HYFSPTMRDIYPSQ-QWRGUYRKSA-N 1 1 313.354 -1.045 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561727 678173307 /nfs/dbraw/zinc/17/33/07/678173307.db2.gz AUIXMOBRPWYAEI-NXEZZACHSA-N 1 1 322.369 -1.247 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561727 678173309 /nfs/dbraw/zinc/17/33/09/678173309.db2.gz AUIXMOBRPWYAEI-NXEZZACHSA-N 1 1 322.369 -1.247 20 0 DAADMO CN1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073578787 678173714 /nfs/dbraw/zinc/17/37/14/678173714.db2.gz WGGQXXVEUYIGIF-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)C1 ZINC001073563967 678173873 /nfs/dbraw/zinc/17/38/73/678173873.db2.gz NLGSYXUNHKPLLC-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001073564083 678173951 /nfs/dbraw/zinc/17/39/51/678173951.db2.gz QKEFCVYYOAKRSX-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588046 678174382 /nfs/dbraw/zinc/17/43/82/678174382.db2.gz YAFTTYJJYZLJHG-WDEREUQCSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073588046 678174383 /nfs/dbraw/zinc/17/43/83/678174383.db2.gz YAFTTYJJYZLJHG-WDEREUQCSA-N 1 1 324.385 -1.100 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582603 678174446 /nfs/dbraw/zinc/17/44/46/678174446.db2.gz OYGIXWQVMABCSA-UWVGGRQHSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582603 678174450 /nfs/dbraw/zinc/17/44/50/678174450.db2.gz OYGIXWQVMABCSA-UWVGGRQHSA-N 1 1 324.385 -1.303 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591535 678174529 /nfs/dbraw/zinc/17/45/29/678174529.db2.gz KEFQVFQCVKFYGF-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591535 678174531 /nfs/dbraw/zinc/17/45/31/678174531.db2.gz KEFQVFQCVKFYGF-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073587409 678174544 /nfs/dbraw/zinc/17/45/44/678174544.db2.gz PUUCAFFFHYIXLO-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073587409 678174546 /nfs/dbraw/zinc/17/45/46/678174546.db2.gz PUUCAFFFHYIXLO-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582597 678174609 /nfs/dbraw/zinc/17/46/09/678174609.db2.gz OYGIXWQVMABCSA-NXEZZACHSA-N 1 1 324.385 -1.303 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073582597 678174610 /nfs/dbraw/zinc/17/46/10/678174610.db2.gz OYGIXWQVMABCSA-NXEZZACHSA-N 1 1 324.385 -1.303 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073588666 678174656 /nfs/dbraw/zinc/17/46/56/678174656.db2.gz FSEIVRQBLYUROQ-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2C)C1 ZINC001073588666 678174658 /nfs/dbraw/zinc/17/46/58/678174658.db2.gz FSEIVRQBLYUROQ-NSHDSACASA-N 1 1 324.385 -1.276 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590845 678174667 /nfs/dbraw/zinc/17/46/67/678174667.db2.gz BPKVMNJIISPBGI-MNOVXSKESA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2C)C1 ZINC001073590845 678174668 /nfs/dbraw/zinc/17/46/68/678174668.db2.gz BPKVMNJIISPBGI-MNOVXSKESA-N 1 1 324.385 -1.100 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593466 678175238 /nfs/dbraw/zinc/17/52/38/678175238.db2.gz OUQZHPGSMWNATA-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593466 678175241 /nfs/dbraw/zinc/17/52/41/678175241.db2.gz OUQZHPGSMWNATA-GHMZBOCLSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593468 678175269 /nfs/dbraw/zinc/17/52/69/678175269.db2.gz OUQZHPGSMWNATA-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001073593468 678175270 /nfs/dbraw/zinc/17/52/70/678175270.db2.gz OUQZHPGSMWNATA-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591537 678175375 /nfs/dbraw/zinc/17/53/75/678175375.db2.gz KEFQVFQCVKFYGF-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001073591537 678175377 /nfs/dbraw/zinc/17/53/77/678175377.db2.gz KEFQVFQCVKFYGF-QWRGUYRKSA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073593055 678175441 /nfs/dbraw/zinc/17/54/41/678175441.db2.gz FCMDBHNPWVIJTN-MNOVXSKESA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1cnc(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073593055 678175447 /nfs/dbraw/zinc/17/54/47/678175447.db2.gz FCMDBHNPWVIJTN-MNOVXSKESA-N 1 1 322.369 -1.476 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073641968 678176411 /nfs/dbraw/zinc/17/64/11/678176411.db2.gz FATHSUQCHNLPDB-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654252 678176728 /nfs/dbraw/zinc/17/67/28/678176728.db2.gz COPSKUVFEWMXGY-VHSXEESVSA-N 1 1 323.353 -1.123 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073654252 678176730 /nfs/dbraw/zinc/17/67/30/678176730.db2.gz COPSKUVFEWMXGY-VHSXEESVSA-N 1 1 323.353 -1.123 20 0 DAADMO Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)ncc1=O ZINC001073702951 678177930 /nfs/dbraw/zinc/17/79/30/678177930.db2.gz ALNNJQADBMYVNP-LLVKDONJSA-N 1 1 310.354 -1.407 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703782 678177961 /nfs/dbraw/zinc/17/79/61/678177961.db2.gz XRTRTKNEIWOSBA-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073722827 678178431 /nfs/dbraw/zinc/17/84/31/678178431.db2.gz SUAISMCJTDIQHC-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO Cc1nn[nH]c1C(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001073722827 678178434 /nfs/dbraw/zinc/17/84/34/678178434.db2.gz SUAISMCJTDIQHC-ZJUUUORDSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073733806 678179011 /nfs/dbraw/zinc/17/90/11/678179011.db2.gz KDQCOUUMSNITIW-VHSXEESVSA-N 1 1 323.357 -2.081 20 0 DAADMO Cn1nnc(C(=O)NC[C@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)n1 ZINC001073733806 678179013 /nfs/dbraw/zinc/17/90/13/678179013.db2.gz KDQCOUUMSNITIW-VHSXEESVSA-N 1 1 323.357 -2.081 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001073726320 678179018 /nfs/dbraw/zinc/17/90/18/678179018.db2.gz INCOZTYCNZLFDJ-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748530 678179076 /nfs/dbraw/zinc/17/90/76/678179076.db2.gz GDSSHMVQBXBZGS-JTQLQIEISA-N 1 1 323.353 -1.663 20 0 DAADMO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748530 678179079 /nfs/dbraw/zinc/17/90/79/678179079.db2.gz GDSSHMVQBXBZGS-JTQLQIEISA-N 1 1 323.353 -1.663 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748115 678179251 /nfs/dbraw/zinc/17/92/51/678179251.db2.gz BHCMGAHBRBJIFR-VHSXEESVSA-N 1 1 323.353 -1.536 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748115 678179253 /nfs/dbraw/zinc/17/92/53/678179253.db2.gz BHCMGAHBRBJIFR-VHSXEESVSA-N 1 1 323.353 -1.536 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734261 678179273 /nfs/dbraw/zinc/17/92/73/678179273.db2.gz QXBZDJBGTTZDLR-JZRPKSSGSA-N 1 1 311.382 -1.040 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001073734261 678179274 /nfs/dbraw/zinc/17/92/74/678179274.db2.gz QXBZDJBGTTZDLR-JZRPKSSGSA-N 1 1 311.382 -1.040 20 0 DAADMO O=C(NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733821 678179321 /nfs/dbraw/zinc/17/93/21/678179321.db2.gz KJAGCINRSDRGQO-ODXJTPSBSA-N 1 1 323.393 -1.026 20 0 DAADMO O=C(NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001073733821 678179324 /nfs/dbraw/zinc/17/93/24/678179324.db2.gz KJAGCINRSDRGQO-ODXJTPSBSA-N 1 1 323.393 -1.026 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)NC1=O ZINC001073726978 678179458 /nfs/dbraw/zinc/17/94/58/678179458.db2.gz SJWQUEFYNSZKRH-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCCO)CCCO1)[C@@H]1CNC(=O)N1 ZINC001073752467 678179923 /nfs/dbraw/zinc/17/99/23/678179923.db2.gz XWLQBSQWOJGJJF-MNOVXSKESA-N 1 1 300.359 -1.743 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751808 678180082 /nfs/dbraw/zinc/18/00/82/678180082.db2.gz IRKUJZSYAAUOLW-QWRGUYRKSA-N 1 1 300.359 -1.479 20 0 DAADMO CC[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001073797028 678180088 /nfs/dbraw/zinc/18/00/88/678180088.db2.gz TUUJWHKDLWLQKP-NSHDSACASA-N 1 1 324.381 -1.075 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818538 678180389 /nfs/dbraw/zinc/18/03/89/678180389.db2.gz HAQSDZKIMPOCBW-ZYHUDNBSSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818538 678180391 /nfs/dbraw/zinc/18/03/91/678180391.db2.gz HAQSDZKIMPOCBW-ZYHUDNBSSA-N 1 1 324.385 -1.100 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818874 678180582 /nfs/dbraw/zinc/18/05/82/678180582.db2.gz RSNZVTNXLKVLNB-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818874 678180585 /nfs/dbraw/zinc/18/05/85/678180585.db2.gz RSNZVTNXLKVLNB-WDEREUQCSA-N 1 1 324.385 -1.230 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818535 678180646 /nfs/dbraw/zinc/18/06/46/678180646.db2.gz HAQSDZKIMPOCBW-CMPLNLGQSA-N 1 1 324.385 -1.100 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818535 678180649 /nfs/dbraw/zinc/18/06/49/678180649.db2.gz HAQSDZKIMPOCBW-CMPLNLGQSA-N 1 1 324.385 -1.100 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)C1CC(=O)NC(=O)C1 ZINC001073819045 678180670 /nfs/dbraw/zinc/18/06/70/678180670.db2.gz WFWUUNDMCMWZKX-LLVKDONJSA-N 1 1 313.354 -1.761 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818872 678180876 /nfs/dbraw/zinc/18/08/76/678180876.db2.gz RSNZVTNXLKVLNB-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001073818872 678180879 /nfs/dbraw/zinc/18/08/79/678180879.db2.gz RSNZVTNXLKVLNB-MNOVXSKESA-N 1 1 324.385 -1.230 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073818086 678180964 /nfs/dbraw/zinc/18/09/64/678180964.db2.gz BZWAFMZDBSJMOU-JQWIXIFHSA-N 1 1 322.369 -1.476 20 0 DAADMO Cn1ncc(C(=O)NC[C@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)n1 ZINC001073818086 678180967 /nfs/dbraw/zinc/18/09/67/678180967.db2.gz BZWAFMZDBSJMOU-JQWIXIFHSA-N 1 1 322.369 -1.476 20 0 DAADMO O=C(NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828489 678181522 /nfs/dbraw/zinc/18/15/22/678181522.db2.gz WKIIIBBCMDQPBU-GXSJLCMTSA-N 1 1 309.326 -1.221 20 0 DAADMO O=C(NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1)c1cnon1 ZINC001073828489 678181523 /nfs/dbraw/zinc/18/15/23/678181523.db2.gz WKIIIBBCMDQPBU-GXSJLCMTSA-N 1 1 309.326 -1.221 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880809 678182757 /nfs/dbraw/zinc/18/27/57/678182757.db2.gz UDHFLVUGAYKQAD-VXGBXAGGSA-N 1 1 324.381 -1.018 20 0 DAADMO CNC(=O)CN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886550 678182806 /nfs/dbraw/zinc/18/28/06/678182806.db2.gz RCWRWYWFMULOMG-QWHCGFSZSA-N 1 1 312.414 -1.109 20 0 DAADMO NC(=O)c1cncc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073893046 678183005 /nfs/dbraw/zinc/18/30/05/678183005.db2.gz ITSCOLMMQVBHCE-CYBMUJFWSA-N 1 1 322.365 -1.007 20 0 DAADMO O=C(NC[C@H]1C[N@H+](CCF)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893059 678183047 /nfs/dbraw/zinc/18/30/47/678183047.db2.gz IYSLPDWXZINGMT-WDEREUQCSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@H]1C[N@@H+](CCF)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893059 678183049 /nfs/dbraw/zinc/18/30/49/678183049.db2.gz IYSLPDWXZINGMT-WDEREUQCSA-N 1 1 323.390 -1.145 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001073893350 678183181 /nfs/dbraw/zinc/18/31/81/678183181.db2.gz RJYSCYBHXMNAMA-GHMZBOCLSA-N 1 1 321.399 -2.123 20 0 DAADMO NC(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)cn1 ZINC001073911129 678184133 /nfs/dbraw/zinc/18/41/33/678184133.db2.gz IKELUCYONDTCKO-LBPRGKRZSA-N 1 1 322.365 -1.007 20 0 DAADMO C[N@@H+](C[C@H]1CCCCN1C(=O)Cn1cnnn1)[C@H]1CCNC1=O ZINC001073944704 678184181 /nfs/dbraw/zinc/18/41/81/678184181.db2.gz HRKDJUSRDMAWOL-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO NC(=O)c1ccnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)c1 ZINC001073914898 678184253 /nfs/dbraw/zinc/18/42/53/678184253.db2.gz IHBSKMWVZLIYIH-GFCCVEGCSA-N 1 1 322.365 -1.007 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCCN(CC(N)=O)[C@H]2C1 ZINC001074407094 678194138 /nfs/dbraw/zinc/19/41/38/678194138.db2.gz ARBRWJDSMCVLHW-STQMWFEESA-N 1 1 321.381 -1.021 20 0 DAADMO C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)c1nnnn1C ZINC001074521853 678196372 /nfs/dbraw/zinc/19/63/72/678196372.db2.gz NUUCNBYYQDMMFY-GUBZILKMSA-N 1 1 320.361 -1.463 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001074581846 678197859 /nfs/dbraw/zinc/19/78/59/678197859.db2.gz SMCJNWCWNIIQIN-SDDRHHMPSA-N 1 1 323.401 -1.380 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCCNC1=O ZINC001074697419 678200237 /nfs/dbraw/zinc/20/02/37/678200237.db2.gz LIEHCOPGDVSUDW-DCAQKATOSA-N 1 1 321.385 -1.185 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)c2ncn[nH]2)CC1 ZINC001074713455 678202807 /nfs/dbraw/zinc/20/28/07/678202807.db2.gz WIIUJXPBTBEIRO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)c2nc[nH]n2)CC1 ZINC001074713455 678202811 /nfs/dbraw/zinc/20/28/11/678202811.db2.gz WIIUJXPBTBEIRO-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001074722923 678203120 /nfs/dbraw/zinc/20/31/20/678203120.db2.gz DCMZWNGESYRJNF-AXFHLTTASA-N 1 1 321.385 -1.185 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)c2cnn[nH]2)CC1 ZINC001074715216 678203291 /nfs/dbraw/zinc/20/32/91/678203291.db2.gz CYAXPSOPHUHRHH-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001074815066 678204577 /nfs/dbraw/zinc/20/45/77/678204577.db2.gz VRKAJIUVCGANLW-AXFHLTTASA-N 1 1 321.385 -1.233 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798681 678204679 /nfs/dbraw/zinc/20/46/79/678204679.db2.gz UFSSVYUYBHBNKQ-DLOVCJGASA-N 1 1 321.385 -1.082 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCNC1=O ZINC001074795008 678204681 /nfs/dbraw/zinc/20/46/81/678204681.db2.gz UFEWEXGQZOINNH-GUBZILKMSA-N 1 1 307.358 -1.575 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001074821833 678205214 /nfs/dbraw/zinc/20/52/14/678205214.db2.gz IFVAYXNALYAIKP-GARJFASQSA-N 1 1 321.385 -1.090 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001075037800 678208328 /nfs/dbraw/zinc/20/83/28/678208328.db2.gz QPBBXBFXHUFEIA-GUBZILKMSA-N 1 1 306.370 -1.026 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001075037800 678208331 /nfs/dbraw/zinc/20/83/31/678208331.db2.gz QPBBXBFXHUFEIA-GUBZILKMSA-N 1 1 306.370 -1.026 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1nnnn1C ZINC001019629056 678217166 /nfs/dbraw/zinc/21/71/66/678217166.db2.gz FBTGVGUBYOGLIP-BDAKNGLRSA-N 1 1 305.346 -1.178 20 0 DAADMO Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001020328037 678218396 /nfs/dbraw/zinc/21/83/96/678218396.db2.gz OVXATFFIMYPKQZ-MGCOHNPYSA-N 1 1 321.341 -1.290 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001038276743 678218936 /nfs/dbraw/zinc/21/89/36/678218936.db2.gz XCWCIYCLSWLHGM-PGUXBMHVSA-N 1 1 322.365 -1.235 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@]12C[C@H]1COC2 ZINC001038276743 678218937 /nfs/dbraw/zinc/21/89/37/678218937.db2.gz XCWCIYCLSWLHGM-PGUXBMHVSA-N 1 1 322.365 -1.235 20 0 DAADMO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001038936940 678221509 /nfs/dbraw/zinc/22/15/09/678221509.db2.gz QJXQVTVWLLBYFI-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCC(=O)N1 ZINC001038936940 678221511 /nfs/dbraw/zinc/22/15/11/678221511.db2.gz QJXQVTVWLLBYFI-UWVGGRQHSA-N 1 1 323.353 -1.993 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCO)nn1 ZINC001039053539 678221838 /nfs/dbraw/zinc/22/18/38/678221838.db2.gz UEERWDDWBNZRDN-JTQLQIEISA-N 1 1 310.358 -1.837 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2CCO)nn1 ZINC001039053539 678221842 /nfs/dbraw/zinc/22/18/42/678221842.db2.gz UEERWDDWBNZRDN-JTQLQIEISA-N 1 1 310.358 -1.837 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C[C@H]2CCOC2)nn1 ZINC001039049317 678222058 /nfs/dbraw/zinc/22/20/58/678222058.db2.gz FBXCXQBZUDEWCV-GHMZBOCLSA-N 1 1 322.369 -1.396 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H]2CCOC2)nn1 ZINC001039049321 678222084 /nfs/dbraw/zinc/22/20/84/678222084.db2.gz FBXCXQBZUDEWCV-QWRGUYRKSA-N 1 1 322.369 -1.396 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001039043826 678222121 /nfs/dbraw/zinc/22/21/21/678222121.db2.gz OCFVCCSSROUDFI-VHSXEESVSA-N 1 1 310.358 -1.398 20 0 DAADMO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053537 678222130 /nfs/dbraw/zinc/22/21/30/678222130.db2.gz UDGZQUJBAGWKSL-QWRGUYRKSA-N 1 1 324.385 -1.449 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001039053537 678222132 /nfs/dbraw/zinc/22/21/32/678222132.db2.gz UDGZQUJBAGWKSL-QWRGUYRKSA-N 1 1 324.385 -1.449 20 0 DAADMO NC(=O)Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C[C@H]2CCOC2)nn1 ZINC001039049320 678222135 /nfs/dbraw/zinc/22/21/35/678222135.db2.gz FBXCXQBZUDEWCV-MNOVXSKESA-N 1 1 322.369 -1.396 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC1=O ZINC001039414457 678222415 /nfs/dbraw/zinc/22/24/15/678222415.db2.gz FVAHADBCSPWEST-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCNC1=O ZINC001039414457 678222419 /nfs/dbraw/zinc/22/24/19/678222419.db2.gz FVAHADBCSPWEST-GRYCIOLGSA-N 1 1 308.382 -1.066 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426377 678222885 /nfs/dbraw/zinc/22/28/85/678222885.db2.gz CVPOQGKSXOBUKO-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)N1 ZINC001039426377 678222889 /nfs/dbraw/zinc/22/28/89/678222889.db2.gz CVPOQGKSXOBUKO-WOPDTQHZSA-N 1 1 323.397 -1.179 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)NC1=O ZINC001039453150 678223039 /nfs/dbraw/zinc/22/30/39/678223039.db2.gz LCKFWUTVUBZJLN-UTUOFQBUSA-N 1 1 324.381 -1.016 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)c3nc[nH]n3)C2)C1 ZINC001039760044 678228528 /nfs/dbraw/zinc/22/85/28/678228528.db2.gz GKBQDCZXQKYQPS-IINYFYTJSA-N 1 1 322.369 -1.550 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040060903 678231657 /nfs/dbraw/zinc/23/16/57/678231657.db2.gz ZETCCPJCAGRMIT-SMDDNHRTSA-N 1 1 321.385 -1.139 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1 ZINC001040058529 678231759 /nfs/dbraw/zinc/23/17/59/678231759.db2.gz FKWVAUMTBYSYHL-CQSZACIVSA-N 1 1 321.385 -1.266 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040203719 678234006 /nfs/dbraw/zinc/23/40/06/678234006.db2.gz BGYUCJHVAMUQIR-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001040203719 678234010 /nfs/dbraw/zinc/23/40/10/678234010.db2.gz BGYUCJHVAMUQIR-CYBMUJFWSA-N 1 1 307.358 -1.527 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001040188522 678234019 /nfs/dbraw/zinc/23/40/19/678234019.db2.gz SBMNLZPUXMWKKB-QMTHXVAHSA-N 1 1 310.354 -1.105 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001040188522 678234020 /nfs/dbraw/zinc/23/40/20/678234020.db2.gz SBMNLZPUXMWKKB-QMTHXVAHSA-N 1 1 310.354 -1.105 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040248126 678235361 /nfs/dbraw/zinc/23/53/61/678235361.db2.gz NRRHNUCVNWDYCR-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001040265803 678236520 /nfs/dbraw/zinc/23/65/20/678236520.db2.gz RYIAFRAEQFDEFR-SMDDNHRTSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2cnn[nH]2)C1 ZINC001040269877 678237214 /nfs/dbraw/zinc/23/72/14/678237214.db2.gz XHWJSVDNAGRULU-AWEZNQCLSA-N 1 1 324.385 -1.160 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC(N)=O)C3)n1 ZINC001040342179 678238789 /nfs/dbraw/zinc/23/87/89/678238789.db2.gz WOVCVMYLIWLJQX-CYBMUJFWSA-N 1 1 307.358 -1.377 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC(N)=O)C3)n1 ZINC001040342179 678238794 /nfs/dbraw/zinc/23/87/94/678238794.db2.gz WOVCVMYLIWLJQX-CYBMUJFWSA-N 1 1 307.358 -1.377 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001040329973 678238861 /nfs/dbraw/zinc/23/88/61/678238861.db2.gz YRHSBOZOIBQLLK-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCNC3=O)C2)C1 ZINC001040329973 678238864 /nfs/dbraw/zinc/23/88/64/678238864.db2.gz YRHSBOZOIBQLLK-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(N)=O)C3)n1 ZINC001040342181 678238985 /nfs/dbraw/zinc/23/89/85/678238985.db2.gz WOVCVMYLIWLJQX-ZDUSSCGKSA-N 1 1 307.358 -1.377 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC(N)=O)C3)n1 ZINC001040342181 678238986 /nfs/dbraw/zinc/23/89/86/678238986.db2.gz WOVCVMYLIWLJQX-ZDUSSCGKSA-N 1 1 307.358 -1.377 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001040363443 678239310 /nfs/dbraw/zinc/23/93/10/678239310.db2.gz HGUJHERHEYINPY-ZUZCIYMTSA-N 1 1 322.365 -1.409 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001040360368 678239458 /nfs/dbraw/zinc/23/94/58/678239458.db2.gz KKPLRSXSLIUDRE-NHYWBVRUSA-N 1 1 323.397 -1.272 20 0 DAADMO CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001040429920 678240766 /nfs/dbraw/zinc/24/07/66/678240766.db2.gz KOKZSCYWNKOPFS-UNRBTCAZSA-N 1 1 323.393 -1.051 20 0 DAADMO NC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001040465008 678241057 /nfs/dbraw/zinc/24/10/57/678241057.db2.gz UBCYHIYUUIQIQL-AWEZNQCLSA-N 1 1 321.385 -1.137 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cnnn3)C2)C1 ZINC001040465008 678241060 /nfs/dbraw/zinc/24/10/60/678241060.db2.gz UBCYHIYUUIQIQL-AWEZNQCLSA-N 1 1 321.385 -1.137 20 0 DAADMO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001040545710 678243335 /nfs/dbraw/zinc/24/33/35/678243335.db2.gz YSDKTBGBPBPDGD-YGRLFVJLSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001040545710 678243338 /nfs/dbraw/zinc/24/33/38/678243338.db2.gz YSDKTBGBPBPDGD-YGRLFVJLSA-N 1 1 324.385 -1.162 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040518881 678243363 /nfs/dbraw/zinc/24/33/63/678243363.db2.gz GVSPUJVZUFHHIF-HNNXBMFYSA-N 1 1 324.381 -1.155 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1)[NH+](C)C ZINC001040545708 678243428 /nfs/dbraw/zinc/24/34/28/678243428.db2.gz YSDKTBGBPBPDGD-IINYFYTJSA-N 1 1 324.385 -1.162 20 0 DAADMO CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1)[NH+](C)C ZINC001040545708 678243429 /nfs/dbraw/zinc/24/34/29/678243429.db2.gz YSDKTBGBPBPDGD-IINYFYTJSA-N 1 1 324.385 -1.162 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546188 678244307 /nfs/dbraw/zinc/24/43/07/678244307.db2.gz FIDUEMUDAHTBBM-ZDUSSCGKSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546188 678244308 /nfs/dbraw/zinc/24/43/08/678244308.db2.gz FIDUEMUDAHTBBM-ZDUSSCGKSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040546187 678244311 /nfs/dbraw/zinc/24/43/11/678244311.db2.gz FIDUEMUDAHTBBM-CYBMUJFWSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040546187 678244312 /nfs/dbraw/zinc/24/43/12/678244312.db2.gz FIDUEMUDAHTBBM-CYBMUJFWSA-N 1 1 310.358 -1.550 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nnc[nH]2)C1 ZINC001040551815 678245994 /nfs/dbraw/zinc/24/59/94/678245994.db2.gz WQTOUUZPFHJBJO-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040551815 678245996 /nfs/dbraw/zinc/24/59/96/678245996.db2.gz WQTOUUZPFHJBJO-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ncn[nH]2)C1 ZINC001040551815 678245997 /nfs/dbraw/zinc/24/59/97/678245997.db2.gz WQTOUUZPFHJBJO-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040551815 678245999 /nfs/dbraw/zinc/24/59/99/678245999.db2.gz WQTOUUZPFHJBJO-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)c2nc[nH]n2)C1 ZINC001040551815 678246001 /nfs/dbraw/zinc/24/60/01/678246001.db2.gz WQTOUUZPFHJBJO-CQSZACIVSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@](O)(CNC(=O)C(N)=O)C2)C1 ZINC001040741247 678250395 /nfs/dbraw/zinc/25/03/95/678250395.db2.gz MQPQBHCCFZEFSS-HZMBPMFUSA-N 1 1 312.370 -2.107 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040743165 678250722 /nfs/dbraw/zinc/25/07/22/678250722.db2.gz JZQSLTCDHGVWEV-AWEZNQCLSA-N 1 1 314.386 -1.717 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040742796 678250795 /nfs/dbraw/zinc/25/07/95/678250795.db2.gz IFRCPEUYNMYOMG-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040752534 678254250 /nfs/dbraw/zinc/25/42/50/678254250.db2.gz LDVSHCLVCNWZBD-CYBMUJFWSA-N 1 1 309.326 -2.244 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1)C1CCC1 ZINC001040754081 678254922 /nfs/dbraw/zinc/25/49/22/678254922.db2.gz WEZDQRLLXIPZTO-AWEZNQCLSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@@H+](CC(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1)C1CCC1 ZINC001040754083 678254963 /nfs/dbraw/zinc/25/49/63/678254963.db2.gz WEZDQRLLXIPZTO-CQSZACIVSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001040756501 678255208 /nfs/dbraw/zinc/25/52/08/678255208.db2.gz WOPQSFZCWDJHPX-HZMBPMFUSA-N 1 1 312.370 -1.964 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001040756503 678255489 /nfs/dbraw/zinc/25/54/89/678255489.db2.gz WOPQSFZCWDJHPX-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C(N)=O)C1 ZINC001040901713 678257445 /nfs/dbraw/zinc/25/74/45/678257445.db2.gz MIXUZSGLBAFDML-ZDUSSCGKSA-N 1 1 300.359 -2.107 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001041027614 678261420 /nfs/dbraw/zinc/26/14/20/678261420.db2.gz XCCNLOSFBAAOQN-AVERBVTBSA-N 1 1 323.393 -1.051 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@@]2(CC[N@H+]([C@@H]3CCNC3=O)C2)C1 ZINC001041053701 678263085 /nfs/dbraw/zinc/26/30/85/678263085.db2.gz MFOSNMGCWDQCDR-BXUZGUMPSA-N 1 1 319.369 -1.514 20 0 DAADMO O=C(Cn1cnnn1)N1CC[C@]2(CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001041053702 678263250 /nfs/dbraw/zinc/26/32/50/678263250.db2.gz MFOSNMGCWDQCDR-FZMZJTMJSA-N 1 1 319.369 -1.514 20 0 DAADMO NC(=O)CC(=O)N1CC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041152270 678266444 /nfs/dbraw/zinc/26/64/44/678266444.db2.gz JRESRLFMIUSDOS-BMIGLBTASA-N 1 1 322.365 -1.409 20 0 DAADMO NC(=O)CC(=O)N1CC[C@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041157412 678267045 /nfs/dbraw/zinc/26/70/45/678267045.db2.gz GELYFNOODIKWGZ-HNNXBMFYSA-N 1 1 323.397 -1.189 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 ZINC001041196406 678269855 /nfs/dbraw/zinc/26/98/55/678269855.db2.gz SGLDGDKYCZHEBY-NHYWBVRUSA-N 1 1 308.382 -1.078 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001041210309 678270801 /nfs/dbraw/zinc/27/08/01/678270801.db2.gz FIRDBZICVAVNAC-NSHDSACASA-N 1 1 312.370 -2.094 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001041210953 678271148 /nfs/dbraw/zinc/27/11/48/678271148.db2.gz DUSFOFLAPTVSPI-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001041212772 678271542 /nfs/dbraw/zinc/27/15/42/678271542.db2.gz NFPVOAGXOYMHAS-LLVKDONJSA-N 1 1 312.370 -2.236 20 0 DAADMO CC(=O)NCC(=O)NCC1(O)CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001041216117 678271922 /nfs/dbraw/zinc/27/19/22/678271922.db2.gz SGEYTIYNJDHCAZ-UHFFFAOYSA-N 1 1 323.353 -1.983 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041229149 678271996 /nfs/dbraw/zinc/27/19/96/678271996.db2.gz STPKPRSKANDVCD-IINYFYTJSA-N 1 1 322.369 -1.218 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041217595 678272014 /nfs/dbraw/zinc/27/20/14/678272014.db2.gz DNOFCKMMJZHALD-ZDUSSCGKSA-N 1 1 308.342 -1.607 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)CN3CN=NC3=O)C2)C1 ZINC001041229148 678272206 /nfs/dbraw/zinc/27/22/06/678272206.db2.gz STPKPRSKANDVCD-HZMBPMFUSA-N 1 1 322.369 -1.218 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041287246 678274104 /nfs/dbraw/zinc/27/41/04/678274104.db2.gz AODRUXBOJZRTGR-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncnn3)C2)C1 ZINC001041290749 678274627 /nfs/dbraw/zinc/27/46/27/678274627.db2.gz PMDQAGMQWSQZSU-GXFFZTMASA-N 1 1 307.358 -1.529 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1=O ZINC001041338346 678278749 /nfs/dbraw/zinc/27/87/49/678278749.db2.gz GKLRULHGXNLFCF-IAQYHMDHSA-N 1 1 308.382 -1.126 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 ZINC001041368231 678281230 /nfs/dbraw/zinc/28/12/30/678281230.db2.gz KQRYPHVJJIZSFM-XPTSAGLGSA-N 1 1 323.353 -2.006 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCNC3=O)C2)C1 ZINC001041378529 678281470 /nfs/dbraw/zinc/28/14/70/678281470.db2.gz KJWNRCGSRKHKNE-XHDPSFHLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CNC(N)=O)C2)C1 ZINC001041386742 678283308 /nfs/dbraw/zinc/28/33/08/678283308.db2.gz BUBJMULAGRARTP-VIFPVBQESA-N 1 1 313.358 -2.704 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423867 678286398 /nfs/dbraw/zinc/28/63/98/678286398.db2.gz WAQZYFQNWGXMBO-IUODEOHRSA-N 1 1 323.397 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001041423869 678287159 /nfs/dbraw/zinc/28/71/59/678287159.db2.gz WAQZYFQNWGXMBO-WFASDCNBSA-N 1 1 323.397 -1.113 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cccn2)C1 ZINC001041466892 678289001 /nfs/dbraw/zinc/28/90/01/678289001.db2.gz SNEFSOVYVYYAFK-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CNC(=O)C1 ZINC001041497140 678289777 /nfs/dbraw/zinc/28/97/77/678289777.db2.gz FVEMLZAZLNRIAB-GJZGRUSLSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540965 678290582 /nfs/dbraw/zinc/29/05/82/678290582.db2.gz RITLNJFCRGCISC-BBRMVZONSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540967 678290676 /nfs/dbraw/zinc/29/06/76/678290676.db2.gz RITLNJFCRGCISC-CZUORRHYSA-N 1 1 324.425 -1.277 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1 ZINC001041540135 678290727 /nfs/dbraw/zinc/29/07/27/678290727.db2.gz LCXGLFAKCGKBQZ-OAHLLOKOSA-N 1 1 323.397 -2.172 20 0 DAADMO Cn1nnc(C(=O)N2CC[C@@]3(CC[N@H+]([C@H]4CCNC4=O)C3)C2)n1 ZINC001041562624 678291065 /nfs/dbraw/zinc/29/10/65/678291065.db2.gz CRVMZFLYPSCKQO-IINYFYTJSA-N 1 1 319.369 -1.363 20 0 DAADMO CN1C[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001041543288 678291088 /nfs/dbraw/zinc/29/10/88/678291088.db2.gz HQPTYYFGVCONRZ-HZMBPMFUSA-N 1 1 309.370 -1.580 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001041543290 678291191 /nfs/dbraw/zinc/29/11/91/678291191.db2.gz HQPTYYFGVCONRZ-QMTHXVAHSA-N 1 1 309.370 -1.580 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)C(=O)N3)C2)C1 ZINC001041544021 678291330 /nfs/dbraw/zinc/29/13/30/678291330.db2.gz MNARNGQLAVXBIP-ABAIWWIYSA-N 1 1 323.397 -1.320 20 0 DAADMO CN1CC[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)C1=O ZINC001041569727 678291385 /nfs/dbraw/zinc/29/13/85/678291385.db2.gz MFITWVIOSBXLCY-IAQYHMDHSA-N 1 1 308.382 -1.126 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041600672 678292744 /nfs/dbraw/zinc/29/27/44/678292744.db2.gz DSRQUJZCUCVCHJ-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccn[nH]3)C2)C1 ZINC001041600672 678292746 /nfs/dbraw/zinc/29/27/46/678292746.db2.gz DSRQUJZCUCVCHJ-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2ccn[nH]2)C1 ZINC001041609598 678294186 /nfs/dbraw/zinc/29/41/86/678294186.db2.gz ZIVKHKHQZOJAEY-UHFFFAOYSA-N 1 1 318.337 -1.082 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001041623171 678294940 /nfs/dbraw/zinc/29/49/40/678294940.db2.gz NAVBXXJUJRMXDX-AWEZNQCLSA-N 1 1 308.382 -1.078 20 0 DAADMO NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001041630474 678295505 /nfs/dbraw/zinc/29/55/05/678295505.db2.gz VTMGQSHINFIGFI-WFASDCNBSA-N 1 1 321.381 -1.346 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041657447 678296195 /nfs/dbraw/zinc/29/61/95/678296195.db2.gz LNFFGAXGGIYIRY-LLVKDONJSA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041658062 678296348 /nfs/dbraw/zinc/29/63/48/678296348.db2.gz UZTHMIDFLPKJJK-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041658062 678296351 /nfs/dbraw/zinc/29/63/51/678296351.db2.gz UZTHMIDFLPKJJK-NSHDSACASA-N 1 1 323.353 -1.957 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]c2)C1 ZINC001041666850 678297474 /nfs/dbraw/zinc/29/74/74/678297474.db2.gz BBFKDNIKHAXKME-PWSUYJOCSA-N 1 1 321.381 -1.090 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]c3)C2)C1 ZINC001041667262 678297524 /nfs/dbraw/zinc/29/75/24/678297524.db2.gz GBLABPUXLBFYHS-SNVBAGLBSA-N 1 1 307.354 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001041683982 678298146 /nfs/dbraw/zinc/29/81/46/678298146.db2.gz YTIOLHRDOHTOOB-ZETOZRRWSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041716803 678300432 /nfs/dbraw/zinc/30/04/32/678300432.db2.gz FKDSZJJJCMTOJA-IINYFYTJSA-N 1 1 310.354 -1.499 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccon3)C2)C1 ZINC001041711301 678300453 /nfs/dbraw/zinc/30/04/53/678300453.db2.gz YFMUAHRTAKERTL-JTQLQIEISA-N 1 1 308.338 -1.071 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041741054 678300910 /nfs/dbraw/zinc/30/09/10/678300910.db2.gz JBDBADJEJNHWMK-OAHLLOKOSA-N 1 1 309.366 -1.044 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1 ZINC001041741719 678300981 /nfs/dbraw/zinc/30/09/81/678300981.db2.gz TVRYXTXBYOBYTC-OAHLLOKOSA-N 1 1 322.365 -1.551 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001041744192 678301087 /nfs/dbraw/zinc/30/10/87/678301087.db2.gz YGFRNIISSPPOGA-ABAIWWIYSA-N 1 1 324.381 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001041793085 678303447 /nfs/dbraw/zinc/30/34/47/678303447.db2.gz DIGQEJWDPZDBDV-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1=O ZINC001041819392 678303827 /nfs/dbraw/zinc/30/38/27/678303827.db2.gz GBAZWFRWJNTMQB-OAHLLOKOSA-N 1 1 324.381 -1.203 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001041819303 678304206 /nfs/dbraw/zinc/30/42/06/678304206.db2.gz DXUIXKKFWQTCKR-AWEZNQCLSA-N 1 1 323.353 -2.052 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041819661 678304235 /nfs/dbraw/zinc/30/42/35/678304235.db2.gz ISGITQAIFAUKRE-CQSZACIVSA-N 1 1 310.354 -1.545 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041823918 678304563 /nfs/dbraw/zinc/30/45/63/678304563.db2.gz RCSLBFCQRQDNRX-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041836265 678304697 /nfs/dbraw/zinc/30/46/97/678304697.db2.gz RUBPEVDKQFOCBW-YPMHNXCESA-N 1 1 317.411 -1.405 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCOC2)C1 ZINC001041884963 678306668 /nfs/dbraw/zinc/30/66/68/678306668.db2.gz VDVAZCORQGWNJF-GFCCVEGCSA-N 1 1 322.365 -1.082 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001041930135 678308274 /nfs/dbraw/zinc/30/82/74/678308274.db2.gz XYLGGPMBTWUWHJ-MNOVXSKESA-N 1 1 307.358 -1.658 20 0 DAADMO NC(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001041984083 678309089 /nfs/dbraw/zinc/30/90/89/678309089.db2.gz HAGOEBSUFOAZLM-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CN=NC3=O)C[C@@H]21 ZINC001042007103 678310037 /nfs/dbraw/zinc/31/00/37/678310037.db2.gz STNBQCDDMGOQCS-MNOVXSKESA-N 1 1 322.369 -1.348 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042018911 678310797 /nfs/dbraw/zinc/31/07/97/678310797.db2.gz BKJWIUDMGCSARX-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@H]21 ZINC001042018911 678310798 /nfs/dbraw/zinc/31/07/98/678310798.db2.gz BKJWIUDMGCSARX-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001042060832 678312564 /nfs/dbraw/zinc/31/25/64/678312564.db2.gz PWAZENRTBFGUHD-WDEREUQCSA-N 1 1 307.358 -1.658 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042077771 678313686 /nfs/dbraw/zinc/31/36/86/678313686.db2.gz PCYMSVPDXRRVJO-JQWIXIFHSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042077771 678313690 /nfs/dbraw/zinc/31/36/90/678313690.db2.gz PCYMSVPDXRRVJO-JQWIXIFHSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042077770 678313847 /nfs/dbraw/zinc/31/38/47/678313847.db2.gz PCYMSVPDXRRVJO-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO O=C(C1CS(=O)(=O)C1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042077770 678313850 /nfs/dbraw/zinc/31/38/50/678313850.db2.gz PCYMSVPDXRRVJO-CMPLNLGQSA-N 1 1 302.396 -1.054 20 0 DAADMO Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001042091739 678314357 /nfs/dbraw/zinc/31/43/57/678314357.db2.gz FMYONARBKGJLCR-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc[nH]n2)C1 ZINC001042092011 678314375 /nfs/dbraw/zinc/31/43/75/678314375.db2.gz ISZHDRZGWDYRFE-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001042092011 678314378 /nfs/dbraw/zinc/31/43/78/678314378.db2.gz ISZHDRZGWDYRFE-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccn[nH]2)C1 ZINC001042092011 678314381 /nfs/dbraw/zinc/31/43/81/678314381.db2.gz ISZHDRZGWDYRFE-NSHDSACASA-N 1 1 307.354 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001042092782 678314488 /nfs/dbraw/zinc/31/44/88/678314488.db2.gz QQVSOUJXVDMDSV-GHMZBOCLSA-N 1 1 324.381 -1.951 20 0 DAADMO Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001042091740 678314612 /nfs/dbraw/zinc/31/46/12/678314612.db2.gz FMYONARBKGJLCR-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042098661 678314972 /nfs/dbraw/zinc/31/49/72/678314972.db2.gz USBKGCQKTPDVHA-VXGBXAGGSA-N 1 1 313.398 -1.213 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001042103943 678314993 /nfs/dbraw/zinc/31/49/93/678314993.db2.gz KFQRHYJQOVENNZ-QWRGUYRKSA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCO2)C1 ZINC001042093076 678315034 /nfs/dbraw/zinc/31/50/34/678315034.db2.gz SEXWHLLJAUZYLZ-NWDGAFQWSA-N 1 1 311.382 -1.051 20 0 DAADMO Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001042096732 678315075 /nfs/dbraw/zinc/31/50/75/678315075.db2.gz AEAWJUXAPZJVPW-NSHDSACASA-N 1 1 322.369 -1.788 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cc2nnc[nH]2)C1 ZINC001042103399 678315084 /nfs/dbraw/zinc/31/50/84/678315084.db2.gz CYQJVDYYGBLEQN-JTQLQIEISA-N 1 1 322.369 -1.869 20 0 DAADMO CN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001042103138 678315095 /nfs/dbraw/zinc/31/50/95/678315095.db2.gz BRJDPKJTSCPGDS-ZDUSSCGKSA-N 1 1 324.425 -1.134 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001042103945 678315151 /nfs/dbraw/zinc/31/51/51/678315151.db2.gz KFQRHYJQOVENNZ-WDEREUQCSA-N 1 1 324.381 -2.094 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001042103484 678315174 /nfs/dbraw/zinc/31/51/74/678315174.db2.gz GAYUAGBMJWKHNZ-GFCCVEGCSA-N 1 1 312.414 -1.278 20 0 DAADMO Cn1cncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042104114 678315230 /nfs/dbraw/zinc/31/52/30/678315230.db2.gz KTRKBZBHXNFZRQ-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001042104095 678315396 /nfs/dbraw/zinc/31/53/96/678315396.db2.gz KQXPGXWKNKHPRU-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001042103941 678315513 /nfs/dbraw/zinc/31/55/13/678315513.db2.gz KFQRHYJQOVENNZ-MNOVXSKESA-N 1 1 324.381 -2.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2cncn2)C1 ZINC001042105118 678316038 /nfs/dbraw/zinc/31/60/38/678316038.db2.gz WOXHGHPKIGOOSB-NSHDSACASA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042141157 678317170 /nfs/dbraw/zinc/31/71/70/678317170.db2.gz DVVMIMXBKULSIE-NWDGAFQWSA-N 1 1 322.365 -1.136 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042141155 678317219 /nfs/dbraw/zinc/31/72/19/678317219.db2.gz DVVMIMXBKULSIE-NEPJUHHUSA-N 1 1 322.365 -1.136 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)ncc1=O ZINC001042159938 678317539 /nfs/dbraw/zinc/31/75/39/678317539.db2.gz IJIQHAHCLFKKLV-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)ncc1=O ZINC001042159938 678317544 /nfs/dbraw/zinc/31/75/44/678317544.db2.gz IJIQHAHCLFKKLV-ZYHUDNBSSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cnn(CCC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)c1=O ZINC001042163161 678317551 /nfs/dbraw/zinc/31/75/51/678317551.db2.gz PLNKMOFRMNWFAS-CHWSQXEVSA-N 1 1 323.397 -1.113 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@H]3C2)ncc1=O ZINC001042159936 678317635 /nfs/dbraw/zinc/31/76/35/678317635.db2.gz IJIQHAHCLFKKLV-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)ncc1=O ZINC001042159936 678317637 /nfs/dbraw/zinc/31/76/37/678317637.db2.gz IJIQHAHCLFKKLV-JQWIXIFHSA-N 1 1 319.365 -1.198 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC001042205264 678318026 /nfs/dbraw/zinc/31/80/26/678318026.db2.gz ABSXIAKZIXYHGO-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C[C@H]21 ZINC001042205264 678318030 /nfs/dbraw/zinc/31/80/30/678318030.db2.gz ABSXIAKZIXYHGO-GHMZBOCLSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042211530 678318712 /nfs/dbraw/zinc/31/87/12/678318712.db2.gz SIGCETVEPSTCCK-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001042211530 678318714 /nfs/dbraw/zinc/31/87/14/678318714.db2.gz SIGCETVEPSTCCK-VXGBXAGGSA-N 1 1 324.381 -1.747 20 0 DAADMO NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C1 ZINC001042212126 678318729 /nfs/dbraw/zinc/31/87/29/678318729.db2.gz ZSYRERACNSZQCW-WDEREUQCSA-N 1 1 309.370 -1.580 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CC(N)=O)C2)C1 ZINC001042223736 678321143 /nfs/dbraw/zinc/32/11/43/678321143.db2.gz SVPNUWKWDLUTGN-SNVBAGLBSA-N 1 1 312.370 -2.107 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042272570 678323904 /nfs/dbraw/zinc/32/39/04/678323904.db2.gz OHOBLYZQUVRGJM-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(F)F)C2)C1 ZINC001042294430 678324320 /nfs/dbraw/zinc/32/43/20/678324320.db2.gz CXVZKPGQWNAUPJ-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(C)(F)F)C2)C1 ZINC001042294430 678324323 /nfs/dbraw/zinc/32/43/23/678324323.db2.gz CXVZKPGQWNAUPJ-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001042294565 678324382 /nfs/dbraw/zinc/32/43/82/678324382.db2.gz GGSLINOFHLHDLR-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001042294565 678324384 /nfs/dbraw/zinc/32/43/84/678324384.db2.gz GGSLINOFHLHDLR-GFCCVEGCSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001042294410 678324391 /nfs/dbraw/zinc/32/43/91/678324391.db2.gz CQXKMZODXWBNHQ-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001042294410 678324392 /nfs/dbraw/zinc/32/43/92/678324392.db2.gz CQXKMZODXWBNHQ-LLVKDONJSA-N 1 1 323.353 -1.957 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295824 678324945 /nfs/dbraw/zinc/32/49/45/678324945.db2.gz SZXWUYLCDFJXNJ-MNOVXSKESA-N 1 1 315.370 -1.959 20 0 DAADMO CO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295824 678324948 /nfs/dbraw/zinc/32/49/48/678324948.db2.gz SZXWUYLCDFJXNJ-MNOVXSKESA-N 1 1 315.370 -1.959 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001042300276 678324990 /nfs/dbraw/zinc/32/49/90/678324990.db2.gz RIHQSCRIOBVWGJ-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cocn3)C2)C1 ZINC001042300276 678324993 /nfs/dbraw/zinc/32/49/93/678324993.db2.gz RIHQSCRIOBVWGJ-NSHDSACASA-N 1 1 324.337 -1.692 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042302248 678325051 /nfs/dbraw/zinc/32/50/51/678325051.db2.gz RLFGRQJWXOCOJO-NEPJUHHUSA-N 1 1 324.381 -1.157 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001042300023 678325324 /nfs/dbraw/zinc/32/53/24/678325324.db2.gz MXNMJIAYVYCWCR-VXGBXAGGSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001042300023 678325328 /nfs/dbraw/zinc/32/53/28/678325328.db2.gz MXNMJIAYVYCWCR-VXGBXAGGSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001042299365 678325612 /nfs/dbraw/zinc/32/56/12/678325612.db2.gz BFZOGSGTBIQSKG-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001042299365 678325616 /nfs/dbraw/zinc/32/56/16/678325616.db2.gz BFZOGSGTBIQSKG-LBPRGKRZSA-N 1 1 322.365 -1.352 20 0 DAADMO Cc1nn(CC(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)c(=O)n1C ZINC001042333368 678325960 /nfs/dbraw/zinc/32/59/60/678325960.db2.gz OALHUTKCKWPNKT-QWHCGFSZSA-N 1 1 323.397 -1.195 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 ZINC001042341263 678326113 /nfs/dbraw/zinc/32/61/13/678326113.db2.gz LOJWBHHLRSRRDU-NEPJUHHUSA-N 1 1 306.370 -1.053 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345697 678326538 /nfs/dbraw/zinc/32/65/38/678326538.db2.gz MNRNHVCMYMUVSF-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345697 678326539 /nfs/dbraw/zinc/32/65/39/678326539.db2.gz MNRNHVCMYMUVSF-GHMZBOCLSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345700 678326544 /nfs/dbraw/zinc/32/65/44/678326544.db2.gz MNRNHVCMYMUVSF-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001042345700 678326547 /nfs/dbraw/zinc/32/65/47/678326547.db2.gz MNRNHVCMYMUVSF-WDEREUQCSA-N 1 1 322.365 -1.457 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@H]3C2)C1=O ZINC001042346441 678326765 /nfs/dbraw/zinc/32/67/65/678326765.db2.gz UIGZSWRGONBIIK-NEPJUHHUSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CC(N)=O)[C@@H]3C2)n(C)c1=O ZINC001042369804 678327063 /nfs/dbraw/zinc/32/70/63/678327063.db2.gz AVEBZBNGNCQBIS-WDEREUQCSA-N 1 1 321.381 -1.255 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]3CC[N@@H+](CC(N)=O)[C@@H]3C2)n(C)c1=O ZINC001042369804 678327066 /nfs/dbraw/zinc/32/70/66/678327066.db2.gz AVEBZBNGNCQBIS-WDEREUQCSA-N 1 1 321.381 -1.255 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2nc[nH]n2)C1 ZINC001042415576 678327602 /nfs/dbraw/zinc/32/76/02/678327602.db2.gz LDVLOBQCUPJJNB-UHFFFAOYSA-N 1 1 324.385 -1.622 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001042544377 678330950 /nfs/dbraw/zinc/33/09/50/678330950.db2.gz PSSBTPGEZBSGQK-GFCCVEGCSA-N 1 1 321.381 -1.183 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001042545306 678331604 /nfs/dbraw/zinc/33/16/04/678331604.db2.gz AXTSHWXWZBAYGB-NSHDSACASA-N 1 1 308.386 -1.155 20 0 DAADMO Cn1cnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001042550516 678331737 /nfs/dbraw/zinc/33/17/37/678331737.db2.gz JBFSOJIKYDTSCY-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(CCS(C)(=O)=O)C1 ZINC001042573580 678332606 /nfs/dbraw/zinc/33/26/06/678332606.db2.gz NKNHANWZSKLKFT-GFCCVEGCSA-N 1 1 319.427 -1.496 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(CCS(C)(=O)=O)C1 ZINC001042573580 678332610 /nfs/dbraw/zinc/33/26/10/678332610.db2.gz NKNHANWZSKLKFT-GFCCVEGCSA-N 1 1 319.427 -1.496 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC001042573168 678332624 /nfs/dbraw/zinc/33/26/24/678332624.db2.gz FJRVFNZWTGCSOF-LLVKDONJSA-N 1 1 309.374 -1.817 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2nnn(C)n2)C1 ZINC001042573168 678332627 /nfs/dbraw/zinc/33/26/27/678332627.db2.gz FJRVFNZWTGCSOF-LLVKDONJSA-N 1 1 309.374 -1.817 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042569413 678332662 /nfs/dbraw/zinc/33/26/62/678332662.db2.gz CIMXXFMRZBYSQY-WCQYABFASA-N 1 1 312.414 -1.064 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042569413 678332666 /nfs/dbraw/zinc/33/26/66/678332666.db2.gz CIMXXFMRZBYSQY-WCQYABFASA-N 1 1 312.414 -1.064 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001042573730 678332760 /nfs/dbraw/zinc/33/27/60/678332760.db2.gz RSDORASKTZHHCT-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001042573730 678332762 /nfs/dbraw/zinc/33/27/62/678332762.db2.gz RSDORASKTZHHCT-NWDGAFQWSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cn(C)nn2)C1 ZINC001042573135 678332859 /nfs/dbraw/zinc/33/28/59/678332859.db2.gz DBWGATVFSNRMOA-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cn(C)nn2)C1 ZINC001042573135 678332862 /nfs/dbraw/zinc/33/28/62/678332862.db2.gz DBWGATVFSNRMOA-CYBMUJFWSA-N 1 1 308.386 -1.212 20 0 DAADMO CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CN(CCn2cncn2)C1 ZINC001042569379 678332974 /nfs/dbraw/zinc/33/29/74/678332974.db2.gz AXMURXCLOSCWIN-ZDUSSCGKSA-N 1 1 308.386 -1.249 20 0 DAADMO CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CN(CCn2cncn2)C1 ZINC001042569379 678332977 /nfs/dbraw/zinc/33/29/77/678332977.db2.gz AXMURXCLOSCWIN-ZDUSSCGKSA-N 1 1 308.386 -1.249 20 0 DAADMO CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN([C@@H]2CCN(C)C2=O)C1 ZINC001042569913 678332989 /nfs/dbraw/zinc/33/29/89/678332989.db2.gz JPLZXANHLMYHSQ-CHWSQXEVSA-N 1 1 310.398 -1.310 20 0 DAADMO CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN([C@@H]2CCN(C)C2=O)C1 ZINC001042569913 678332993 /nfs/dbraw/zinc/33/29/93/678332993.db2.gz JPLZXANHLMYHSQ-CHWSQXEVSA-N 1 1 310.398 -1.310 20 0 DAADMO CNC(=O)CN1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756363 678343562 /nfs/dbraw/zinc/34/35/62/678343562.db2.gz OUTFCWVFDLYWEX-DGCLKSJQSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)CC(C)(C)O)C2)C1 ZINC001042832998 678347201 /nfs/dbraw/zinc/34/72/01/678347201.db2.gz YAXHVMREIHOVOF-NSHDSACASA-N 1 1 313.398 -1.211 20 0 DAADMO Cn1nncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042850522 678349055 /nfs/dbraw/zinc/34/90/55/678349055.db2.gz ZVQSYHCSJRITDN-JTQLQIEISA-N 1 1 322.369 -1.788 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042853873 678349783 /nfs/dbraw/zinc/34/97/83/678349783.db2.gz OPJDGXQKODUQBV-UHFFFAOYSA-N 1 1 324.385 -1.542 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001042889921 678352678 /nfs/dbraw/zinc/35/26/78/678352678.db2.gz TTXUKFGSRGMCTC-JTQLQIEISA-N 1 1 322.369 -1.930 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042931830 678355703 /nfs/dbraw/zinc/35/57/03/678355703.db2.gz ZYSYRTGIZINUPZ-JTQLQIEISA-N 1 1 307.354 -1.193 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042935037 678356060 /nfs/dbraw/zinc/35/60/60/678356060.db2.gz LQLIZUMPDSAALI-QWRGUYRKSA-N 1 1 321.381 -1.090 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043114529 678365228 /nfs/dbraw/zinc/36/52/28/678365228.db2.gz YDJOUFHURWBQRZ-SNVBAGLBSA-N 1 1 301.412 -1.009 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cc3ccon3)C2)C1 ZINC001043114761 678365303 /nfs/dbraw/zinc/36/53/03/678365303.db2.gz AVGDXDCBOZGXTP-LLVKDONJSA-N 1 1 322.365 -1.142 20 0 DAADMO Cc1nc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c[nH]1 ZINC001043113231 678365359 /nfs/dbraw/zinc/36/53/59/678365359.db2.gz ISABQSIEUNWHFY-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001043113231 678365361 /nfs/dbraw/zinc/36/53/61/678365361.db2.gz ISABQSIEUNWHFY-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001043113231 678365364 /nfs/dbraw/zinc/36/53/64/678365364.db2.gz ISABQSIEUNWHFY-NSHDSACASA-N 1 1 321.381 -1.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccon3)C2)C1 ZINC001043112937 678365393 /nfs/dbraw/zinc/36/53/93/678365393.db2.gz FCFZGLHBOFEXNR-SNVBAGLBSA-N 1 1 308.338 -1.071 20 0 DAADMO CSCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043114525 678365495 /nfs/dbraw/zinc/36/54/95/678365495.db2.gz YDJOUFHURWBQRZ-JTQLQIEISA-N 1 1 301.412 -1.009 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)c3ncccn3)C2)C1 ZINC001043117650 678365715 /nfs/dbraw/zinc/36/57/15/678365715.db2.gz WJPZPHVFOHWJCM-NSHDSACASA-N 1 1 319.365 -1.269 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001043117654 678365872 /nfs/dbraw/zinc/36/58/72/678365872.db2.gz WLOMBHHDPXQTQZ-SNVBAGLBSA-N 1 1 324.381 -2.107 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)Cn3cncn3)C2)C1 ZINC001043114779 678366115 /nfs/dbraw/zinc/36/61/15/678366115.db2.gz BJHQUSBHNKWLHG-LLVKDONJSA-N 1 1 322.369 -2.081 20 0 DAADMO Cc1c[nH]c(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001043118833 678366600 /nfs/dbraw/zinc/36/66/00/678366600.db2.gz MFLCVCGVECWGRH-LLVKDONJSA-N 1 1 321.381 -1.027 20 0 DAADMO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001043127470 678367330 /nfs/dbraw/zinc/36/73/30/678367330.db2.gz LZJJXSVQPPWSCO-UHFFFAOYSA-N 1 1 308.342 -1.796 20 0 DAADMO Cn1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001043125096 678367442 /nfs/dbraw/zinc/36/74/42/678367442.db2.gz CEYVHHFYTKKSMN-LLVKDONJSA-N 1 1 321.381 -1.325 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043130133 678368210 /nfs/dbraw/zinc/36/82/10/678368210.db2.gz LMTWVHYPYBNAGK-UHFFFAOYSA-N 1 1 319.325 -1.687 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cn[nH]n3)C2)CC[N@H+]1C ZINC001043262973 678374195 /nfs/dbraw/zinc/37/41/95/678374195.db2.gz FCZQLYBOVGKMFS-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cnon3)C2)CC[N@H+]1C ZINC001043261484 678374267 /nfs/dbraw/zinc/37/42/67/678374267.db2.gz LOSRSJKJSSDOOO-NXEZZACHSA-N 1 1 323.353 -1.287 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001043287352 678374585 /nfs/dbraw/zinc/37/45/85/678374585.db2.gz WMWGBRFHOWLISK-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)C1 ZINC001043287352 678374590 /nfs/dbraw/zinc/37/45/90/678374590.db2.gz WMWGBRFHOWLISK-SECBINFHSA-N 1 1 321.324 -1.338 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001043286739 678374803 /nfs/dbraw/zinc/37/48/03/678374803.db2.gz OFHZSXIBXXGSKY-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)C1 ZINC001043286739 678374806 /nfs/dbraw/zinc/37/48/06/678374806.db2.gz OFHZSXIBXXGSKY-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO C[C@H](C(N)=O)N1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392023 678377443 /nfs/dbraw/zinc/37/74/43/678377443.db2.gz OMBHWHSPRADCBS-CFFKWZFISA-N 1 1 322.409 -1.134 20 0 DAADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043413725 678379288 /nfs/dbraw/zinc/37/92/88/678379288.db2.gz DPZIKVYVEQWZCB-AOOOYVTPSA-N 1 1 312.370 -1.966 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cn2cccn2)C1 ZINC001043426624 678379839 /nfs/dbraw/zinc/37/98/39/678379839.db2.gz BRQNMXIUVQXNPL-UHFFFAOYSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)O1 ZINC001043671774 678389072 /nfs/dbraw/zinc/38/90/72/678389072.db2.gz XNDKFWMBGUSKKS-RKDXNWHRSA-N 1 1 321.324 -1.340 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C(F)F)C2)O1 ZINC001043671774 678389078 /nfs/dbraw/zinc/38/90/78/678389078.db2.gz XNDKFWMBGUSKKS-RKDXNWHRSA-N 1 1 321.324 -1.340 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043678264 678389194 /nfs/dbraw/zinc/38/91/94/678389194.db2.gz DRGDIIWOXRYAMB-GHMZBOCLSA-N 1 1 324.381 -1.822 20 0 DAADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)O1 ZINC001043671573 678389272 /nfs/dbraw/zinc/38/92/72/678389272.db2.gz UWNJPHRKBZENDK-ZYHUDNBSSA-N 1 1 311.382 -1.195 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)C3CC3)C2)O1 ZINC001043671573 678389275 /nfs/dbraw/zinc/38/92/75/678389275.db2.gz UWNJPHRKBZENDK-ZYHUDNBSSA-N 1 1 311.382 -1.195 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043710683 678390757 /nfs/dbraw/zinc/39/07/57/678390757.db2.gz JHJFKCDPCDMQBL-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043711850 678391593 /nfs/dbraw/zinc/39/15/93/678391593.db2.gz UHLWIOOHYQCQGW-UHFFFAOYSA-N 1 1 323.397 -1.086 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043718127 678391903 /nfs/dbraw/zinc/39/19/03/678391903.db2.gz VKMLOYDMEXMHFR-UHFFFAOYSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2nc[nH]n2)C1 ZINC001043771805 678394099 /nfs/dbraw/zinc/39/40/99/678394099.db2.gz ZHXHKEJDXYAFGH-SNVBAGLBSA-N 1 1 322.369 -1.408 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043805670 678395695 /nfs/dbraw/zinc/39/56/95/678395695.db2.gz DZPXCKQSSFTRGU-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043805670 678395697 /nfs/dbraw/zinc/39/56/97/678395697.db2.gz DZPXCKQSSFTRGU-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043805670 678395699 /nfs/dbraw/zinc/39/56/99/678395699.db2.gz DZPXCKQSSFTRGU-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043807223 678396325 /nfs/dbraw/zinc/39/63/25/678396325.db2.gz LPSSDZLKWVKLSJ-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1)[NH+](C)C ZINC001043807187 678396352 /nfs/dbraw/zinc/39/63/52/678396352.db2.gz QJRMSWSTKAAJDQ-LLVKDONJSA-N 1 1 324.385 -1.306 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)C1 ZINC001043814382 678398157 /nfs/dbraw/zinc/39/81/57/678398157.db2.gz XVVINLDUZCTPOE-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043814382 678398159 /nfs/dbraw/zinc/39/81/59/678398159.db2.gz XVVINLDUZCTPOE-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)C1 ZINC001043814382 678398164 /nfs/dbraw/zinc/39/81/64/678398164.db2.gz XVVINLDUZCTPOE-VIFPVBQESA-N 1 1 308.342 -1.941 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043813082 678398431 /nfs/dbraw/zinc/39/84/31/678398431.db2.gz NVMHZGMYMZAUBQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813082 678398435 /nfs/dbraw/zinc/39/84/35/678398435.db2.gz NVMHZGMYMZAUBQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043813082 678398438 /nfs/dbraw/zinc/39/84/38/678398438.db2.gz NVMHZGMYMZAUBQ-UWVGGRQHSA-N 1 1 322.369 -1.695 20 0 DAADMO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CCC1 ZINC001043812701 678398529 /nfs/dbraw/zinc/39/85/29/678398529.db2.gz LWWAMQLZKPSVOP-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cn[nH]n2)C1 ZINC001043817228 678399199 /nfs/dbraw/zinc/39/91/99/678399199.db2.gz WXBHYVSAMYKEJV-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043817228 678399201 /nfs/dbraw/zinc/39/92/01/678399201.db2.gz WXBHYVSAMYKEJV-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)c2cnn[nH]2)C1 ZINC001043817228 678399204 /nfs/dbraw/zinc/39/92/04/678399204.db2.gz WXBHYVSAMYKEJV-UHFFFAOYSA-N 1 1 310.358 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)CC[N@H+]1C ZINC001043816762 678399371 /nfs/dbraw/zinc/39/93/71/678399371.db2.gz QRYJUGKYSRIHLO-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC[N@@H+]1C ZINC001043816762 678399375 /nfs/dbraw/zinc/39/93/75/678399375.db2.gz QRYJUGKYSRIHLO-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)CC[N@H+]1C ZINC001043816762 678399377 /nfs/dbraw/zinc/39/93/77/678399377.db2.gz QRYJUGKYSRIHLO-NXEZZACHSA-N 1 1 322.369 -1.552 20 0 DAADMO Cn1ncc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001043879582 678402870 /nfs/dbraw/zinc/40/28/70/678402870.db2.gz CIQCJZIFKICNMC-LLVKDONJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043888463 678404221 /nfs/dbraw/zinc/40/42/21/678404221.db2.gz GTIQAYTWKQATSJ-UHFFFAOYSA-N 1 1 323.353 -1.853 20 0 DAADMO NC(=O)C(=O)N1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001043890833 678404236 /nfs/dbraw/zinc/40/42/36/678404236.db2.gz IHRIUYWWVBHAHG-UHFFFAOYSA-N 1 1 314.342 -3.117 20 0 DAADMO COCC(=O)N1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001043890734 678404239 /nfs/dbraw/zinc/40/42/39/678404239.db2.gz FYRJVHREMJNSRP-UHFFFAOYSA-N 1 1 315.370 -1.955 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)ncn1 ZINC001043900105 678404850 /nfs/dbraw/zinc/40/48/50/678404850.db2.gz YZQSMAOVWBFUDS-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)ncn1 ZINC001043900105 678404853 /nfs/dbraw/zinc/40/48/53/678404853.db2.gz YZQSMAOVWBFUDS-AGIUHOORSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043899638 678404859 /nfs/dbraw/zinc/40/48/59/678404859.db2.gz VGNGXIAONNJAOK-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1nccc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001043899638 678404863 /nfs/dbraw/zinc/40/48/63/678404863.db2.gz VGNGXIAONNJAOK-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)ncn1 ZINC001043900106 678404996 /nfs/dbraw/zinc/40/49/96/678404996.db2.gz YZQSMAOVWBFUDS-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)ncn1 ZINC001043900106 678404999 /nfs/dbraw/zinc/40/49/99/678404999.db2.gz YZQSMAOVWBFUDS-FRRDWIJNSA-N 1 1 321.381 -1.219 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)CC(N)=O)C2)C1 ZINC001044007209 678408450 /nfs/dbraw/zinc/40/84/50/678408450.db2.gz IHAUBCJLPRRHBE-JTQLQIEISA-N 1 1 312.370 -2.107 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001044011867 678409589 /nfs/dbraw/zinc/40/95/89/678409589.db2.gz WXAKFKQQHSVPOA-SNVBAGLBSA-N 1 1 322.369 -1.550 20 0 DAADMO CC[C@@H](C(=O)NCC1(O)CN(C(=O)c2[nH]nnc2C)C1)[NH+](C)C ZINC001044044427 678410650 /nfs/dbraw/zinc/41/06/50/678410650.db2.gz QLRSLYRHZRMXCV-JTQLQIEISA-N 1 1 324.385 -1.244 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044118421 678412785 /nfs/dbraw/zinc/41/27/85/678412785.db2.gz JGAMCOPRZHVLIN-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnco3)C2)C1 ZINC001044118421 678412786 /nfs/dbraw/zinc/41/27/86/678412786.db2.gz JGAMCOPRZHVLIN-LLVKDONJSA-N 1 1 324.337 -1.692 20 0 DAADMO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1C[NH+](CCCO)C1 ZINC001044141906 678414052 /nfs/dbraw/zinc/41/40/52/678414052.db2.gz UZWLQWSQWQKXJS-UHFFFAOYSA-N 1 1 312.370 -1.158 20 0 DAADMO CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001044235328 678416247 /nfs/dbraw/zinc/41/62/47/678416247.db2.gz BLFMPBUNSWZKGS-MBHSVXNSSA-N 1 1 309.366 -1.441 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001044290896 678418726 /nfs/dbraw/zinc/41/87/26/678418726.db2.gz WVMPGXPWSVDRCB-LLVKDONJSA-N 1 1 323.397 -1.368 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2cc[nH]n2)C1 ZINC001044302813 678419097 /nfs/dbraw/zinc/41/90/97/678419097.db2.gz ORDFTANGEDKCRC-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001044302813 678419098 /nfs/dbraw/zinc/41/90/98/678419098.db2.gz ORDFTANGEDKCRC-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)Cc2ccn[nH]2)C1 ZINC001044302813 678419101 /nfs/dbraw/zinc/41/91/01/678419101.db2.gz ORDFTANGEDKCRC-UHFFFAOYSA-N 1 1 323.397 -1.017 20 0 DAADMO CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001044306892 678419162 /nfs/dbraw/zinc/41/91/62/678419162.db2.gz GSJARKLPNXAOSB-MWLCHTKSSA-N 1 1 305.400 -1.144 20 0 DAADMO CCC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cn[nH]n2)C1 ZINC001044294137 678419320 /nfs/dbraw/zinc/41/93/20/678419320.db2.gz HCCMOPDOLJWVQJ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001044306893 678419498 /nfs/dbraw/zinc/41/94/98/678419498.db2.gz GSJARKLPNXAOSB-ONGXEEELSA-N 1 1 305.400 -1.144 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)C1 ZINC001044321474 678420035 /nfs/dbraw/zinc/42/00/35/678420035.db2.gz ZJJNUDOTWRQBPO-YPMHNXCESA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N(C)C2CN([C@H](C)C(=O)NC)C2)C1 ZINC001044321474 678420039 /nfs/dbraw/zinc/42/00/39/678420039.db2.gz ZJJNUDOTWRQBPO-YPMHNXCESA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001044321471 678420118 /nfs/dbraw/zinc/42/01/18/678420118.db2.gz ZJJNUDOTWRQBPO-WCQYABFASA-N 1 1 312.414 -1.016 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CN([C@@H](C)C(=O)NC)C2)C1 ZINC001044321471 678420120 /nfs/dbraw/zinc/42/01/20/678420120.db2.gz ZJJNUDOTWRQBPO-WCQYABFASA-N 1 1 312.414 -1.016 20 0 DAADMO NC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001044337858 678420646 /nfs/dbraw/zinc/42/06/46/678420646.db2.gz MHRKUQDPHINVPB-AWEZNQCLSA-N 1 1 324.381 -1.963 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)c1nnn(C)n1 ZINC001044700566 678432017 /nfs/dbraw/zinc/43/20/17/678432017.db2.gz ARWMNJXVHOGJKC-RKDXNWHRSA-N 1 1 320.361 -1.484 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3nnc[nH]3)C2)C1 ZINC001044775874 678435971 /nfs/dbraw/zinc/43/59/71/678435971.db2.gz FZTJENYTXKZVAN-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044775874 678435974 /nfs/dbraw/zinc/43/59/74/678435974.db2.gz FZTJENYTXKZVAN-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)C1 ZINC001044775874 678435976 /nfs/dbraw/zinc/43/59/76/678435976.db2.gz FZTJENYTXKZVAN-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044775874 678435979 /nfs/dbraw/zinc/43/59/79/678435979.db2.gz FZTJENYTXKZVAN-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)C1 ZINC001044775874 678435983 /nfs/dbraw/zinc/43/59/83/678435983.db2.gz FZTJENYTXKZVAN-JTQLQIEISA-N 1 1 322.369 -1.550 20 0 DAADMO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3ncn[nH]3)C2)CCC1 ZINC001044782598 678436905 /nfs/dbraw/zinc/43/69/05/678436905.db2.gz NMYROMORDWTDHS-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)c3nc[nH]n3)C2)CCC1 ZINC001044782598 678436908 /nfs/dbraw/zinc/43/69/08/678436908.db2.gz NMYROMORDWTDHS-UHFFFAOYSA-N 1 1 322.369 -1.408 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2ncn[nH]2)C1 ZINC001044783491 678437497 /nfs/dbraw/zinc/43/74/97/678437497.db2.gz XVEDYKQWWMVOQN-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)c2nc[nH]n2)C1 ZINC001044783491 678437498 /nfs/dbraw/zinc/43/74/98/678437498.db2.gz XVEDYKQWWMVOQN-UHFFFAOYSA-N 1 1 310.358 -1.550 20 0 DAADMO C[C@@H]1C[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)Cn1cncn1 ZINC001044845516 678438837 /nfs/dbraw/zinc/43/88/37/678438837.db2.gz DEQBEOJCFRNAPT-GHMZBOCLSA-N 1 1 319.373 -1.029 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1=O ZINC001044917860 678440232 /nfs/dbraw/zinc/44/02/32/678440232.db2.gz XSROJPVYSNPRKH-NSHDSACASA-N 1 1 321.385 -1.087 20 0 DAADMO Cn1nnc(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001044927299 678440299 /nfs/dbraw/zinc/44/02/99/678440299.db2.gz HALLUQIYDKZPJO-VIFPVBQESA-N 1 1 323.357 -2.393 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001044990513 678442736 /nfs/dbraw/zinc/44/27/36/678442736.db2.gz KQEVAIOSHNIDMI-MNOVXSKESA-N 1 1 321.385 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)c1nccnc1N ZINC001044963655 678442804 /nfs/dbraw/zinc/44/28/04/678442804.db2.gz KXRRHBZZPUJNHS-VIFPVBQESA-N 1 1 317.357 -1.023 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001044972248 678442822 /nfs/dbraw/zinc/44/28/22/678442822.db2.gz MCQCDUXKOXLBJH-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCCN1C ZINC001045002469 678443109 /nfs/dbraw/zinc/44/31/09/678443109.db2.gz NZLSOASESUGNCO-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CN=NC1=O ZINC001045003100 678443221 /nfs/dbraw/zinc/44/32/21/678443221.db2.gz AYEAIPITBWLPGB-JTQLQIEISA-N 1 1 320.357 -1.107 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccncn2)C1 ZINC001045165409 678447771 /nfs/dbraw/zinc/44/77/71/678447771.db2.gz QKSXHJWDQTUWTC-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CNC(=O)N2)n1 ZINC001045175611 678448083 /nfs/dbraw/zinc/44/80/83/678448083.db2.gz JUOCXFIZBQQZMG-WDEREUQCSA-N 1 1 307.358 -1.423 20 0 DAADMO C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)CC[N@H+]1C ZINC001045193157 678449701 /nfs/dbraw/zinc/44/97/01/678449701.db2.gz TTXAVOMXAJSZDF-NXEZZACHSA-N 1 1 323.353 -1.287 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045192712 678449721 /nfs/dbraw/zinc/44/97/21/678449721.db2.gz ASXDYFOBJOFAAF-SECBINFHSA-N 1 1 309.326 -1.676 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045193074 678449765 /nfs/dbraw/zinc/44/97/65/678449765.db2.gz PMTMIACLCVVEMX-UHFFFAOYSA-N 1 1 320.309 -1.422 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)c3cnon3)C2)C1 ZINC001045188377 678449835 /nfs/dbraw/zinc/44/98/35/678449835.db2.gz TWWWSYCYIOKCNL-SNVBAGLBSA-N 1 1 323.353 -1.286 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cnon2)C1 ZINC001045196995 678450125 /nfs/dbraw/zinc/45/01/25/678450125.db2.gz JOFJQOFIDMTHFY-LLVKDONJSA-N 1 1 323.353 -1.143 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cccnn2)C1 ZINC001045228119 678451463 /nfs/dbraw/zinc/45/14/63/678451463.db2.gz AQRWKLHCEOPGQK-GFCCVEGCSA-N 1 1 319.365 -1.126 20 0 DAADMO Cn1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnnn2C)n1 ZINC001045240195 678451856 /nfs/dbraw/zinc/45/18/56/678451856.db2.gz PCBVBKCZDGJBPB-VIFPVBQESA-N 1 1 305.346 -1.267 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CCn2cnnn2)nn1 ZINC001045251143 678452260 /nfs/dbraw/zinc/45/22/60/678452260.db2.gz FZVRJDYWHSHHES-LBPRGKRZSA-N 1 1 319.373 -1.028 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001045277625 678453655 /nfs/dbraw/zinc/45/36/55/678453655.db2.gz VJYATWNUASYVNJ-NSHDSACASA-N 1 1 321.381 -1.264 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045282294 678453708 /nfs/dbraw/zinc/45/37/08/678453708.db2.gz ZLZKBJPAYRYAMS-LLVKDONJSA-N 1 1 321.381 -1.407 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045282295 678453912 /nfs/dbraw/zinc/45/39/12/678453912.db2.gz ZLZKBJPAYRYAMS-NSHDSACASA-N 1 1 321.381 -1.407 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001045496756 678460170 /nfs/dbraw/zinc/46/01/70/678460170.db2.gz MYVCKZIVVSTLQQ-GHMZBOCLSA-N 1 1 324.381 -1.964 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045504224 678461776 /nfs/dbraw/zinc/46/17/76/678461776.db2.gz KKYVXXCTXMFMJM-SNVBAGLBSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001045509376 678462628 /nfs/dbraw/zinc/46/26/28/678462628.db2.gz JRVHXPUTBOVVEN-WDEREUQCSA-N 1 1 324.381 -1.822 20 0 DAADMO NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001045509375 678462768 /nfs/dbraw/zinc/46/27/68/678462768.db2.gz JRVHXPUTBOVVEN-QWRGUYRKSA-N 1 1 324.381 -1.822 20 0 DAADMO C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CC[N@H+]1C ZINC001045510186 678463068 /nfs/dbraw/zinc/46/30/68/678463068.db2.gz ZZUQEYQHUVVQDJ-UWVGGRQHSA-N 1 1 312.370 -2.109 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045518359 678463955 /nfs/dbraw/zinc/46/39/55/678463955.db2.gz WPSBNAFBUJTNDR-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045518359 678463959 /nfs/dbraw/zinc/46/39/59/678463959.db2.gz WPSBNAFBUJTNDR-SECBINFHSA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045518361 678464009 /nfs/dbraw/zinc/46/40/09/678464009.db2.gz WPSBNAFBUJTNDR-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045518361 678464013 /nfs/dbraw/zinc/46/40/13/678464013.db2.gz WPSBNAFBUJTNDR-VIFPVBQESA-N 1 1 314.342 -3.118 20 0 DAADMO CC(C)c1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045518446 678464730 /nfs/dbraw/zinc/46/47/30/678464730.db2.gz YSNKUZLUAONVQD-UHFFFAOYSA-N 1 1 323.353 -1.819 20 0 DAADMO CC1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[NH+](CC(N)=O)CC1 ZINC001045558506 678466810 /nfs/dbraw/zinc/46/68/10/678466810.db2.gz NOKJLLOJVCZEPB-VHSXEESVSA-N 1 1 312.370 -1.525 20 0 DAADMO NC(=O)C[NH+]1CCC2(CO[C@@H](CNC(=O)c3cnn[nH]3)C2)CC1 ZINC001045675003 678468922 /nfs/dbraw/zinc/46/89/22/678468922.db2.gz KEYJSOAPGKMPTJ-SNVBAGLBSA-N 1 1 322.369 -1.109 20 0 DAADMO NC(=O)C[NH+]1CCC2(CO[C@H](CNC(=O)c3cnn[nH]3)C2)CC1 ZINC001045675002 678468979 /nfs/dbraw/zinc/46/89/79/678468979.db2.gz KEYJSOAPGKMPTJ-JTQLQIEISA-N 1 1 322.369 -1.109 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001045742097 678470317 /nfs/dbraw/zinc/47/03/17/678470317.db2.gz RTMPCKONWRLAQM-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001045742097 678470320 /nfs/dbraw/zinc/47/03/20/678470320.db2.gz RTMPCKONWRLAQM-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO CCNC(=O)CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900109302 678471015 /nfs/dbraw/zinc/47/10/15/678471015.db2.gz IPNKAEKFRREGJU-IUODEOHRSA-N 1 1 312.414 -1.278 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045760234 678471026 /nfs/dbraw/zinc/47/10/26/678471026.db2.gz IOXLBNLZAFRRRU-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045760234 678471029 /nfs/dbraw/zinc/47/10/29/678471029.db2.gz IOXLBNLZAFRRRU-FRRDWIJNSA-N 1 1 310.398 -1.132 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045796716 678471095 /nfs/dbraw/zinc/47/10/95/678471095.db2.gz WUOCWMAIVUCOFH-VWYCJHECSA-N 1 1 310.354 -1.358 20 0 DAADMO Cn1cnn(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCO)c1=O ZINC001045804681 678471111 /nfs/dbraw/zinc/47/11/11/678471111.db2.gz FSAVUPLWJUSNLA-NEPJUHHUSA-N 1 1 309.370 -1.361 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001045837893 678471405 /nfs/dbraw/zinc/47/14/05/678471405.db2.gz AEZKRANLKSWSOT-KXUCPTDWSA-N 1 1 308.338 -1.658 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045865106 678471536 /nfs/dbraw/zinc/47/15/36/678471536.db2.gz OWNOTNXVOPCVFB-NEPJUHHUSA-N 1 1 324.381 -1.014 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC001045839600 678471624 /nfs/dbraw/zinc/47/16/24/678471624.db2.gz SVUCBASXEZFAOW-MNOVXSKESA-N 1 1 322.365 -1.314 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046002044 678471985 /nfs/dbraw/zinc/47/19/85/678471985.db2.gz RCCKOIOGZPXUDQ-GFCCVEGCSA-N 1 1 309.374 -2.116 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001045961993 678471998 /nfs/dbraw/zinc/47/19/98/678471998.db2.gz DLQTUEOBYMJBPY-ABAIWWIYSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnns3)CC2)C1 ZINC001046007737 678472118 /nfs/dbraw/zinc/47/21/18/678472118.db2.gz JWYOHACJZNWCCM-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnns3)CC2)C1 ZINC001046007737 678472120 /nfs/dbraw/zinc/47/21/20/678472120.db2.gz JWYOHACJZNWCCM-SNVBAGLBSA-N 1 1 324.410 -1.145 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001046001143 678472211 /nfs/dbraw/zinc/47/22/11/678472211.db2.gz GUCOSEYTPPZXFH-OLZOCXBDSA-N 1 1 323.401 -1.728 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC001045999146 678472272 /nfs/dbraw/zinc/47/22/72/678472272.db2.gz LEMHEEGJORKPDI-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnccn3)CC2)C1 ZINC001045999146 678472274 /nfs/dbraw/zinc/47/22/74/678472274.db2.gz LEMHEEGJORKPDI-LBPRGKRZSA-N 1 1 318.381 -1.206 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)n(C)c1=O ZINC001045897238 678472284 /nfs/dbraw/zinc/47/22/84/678472284.db2.gz CUEPLGKWALYNTN-MNOVXSKESA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)n(C)c1=O ZINC001045897238 678472286 /nfs/dbraw/zinc/47/22/86/678472286.db2.gz CUEPLGKWALYNTN-MNOVXSKESA-N 1 1 321.381 -1.112 20 0 DAADMO O=C(Cn1cnnn1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046002586 678472354 /nfs/dbraw/zinc/47/23/54/678472354.db2.gz ZDDGIHSEJOUDQJ-ZDUSSCGKSA-N 1 1 323.401 -1.726 20 0 DAADMO COCC(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001045989883 678472462 /nfs/dbraw/zinc/47/24/62/678472462.db2.gz PBVAPGACEJPSIB-STQMWFEESA-N 1 1 310.398 -1.260 20 0 DAADMO Cn1oc(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)cc1=O ZINC001046023868 678473038 /nfs/dbraw/zinc/47/30/38/678473038.db2.gz YPOCOPZPITUCTC-GFCCVEGCSA-N 1 1 324.381 -1.197 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001046017635 678473107 /nfs/dbraw/zinc/47/31/07/678473107.db2.gz PVKJWOSLTHTTCR-GHMZBOCLSA-N 1 1 311.386 -2.046 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001046009900 678473132 /nfs/dbraw/zinc/47/31/32/678473132.db2.gz FTROADXHNBTZAZ-UONOGXRCSA-N 1 1 323.441 -1.216 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046009482 678473231 /nfs/dbraw/zinc/47/32/31/678473231.db2.gz ULRNOOGSFKCWLA-LBPRGKRZSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001046009482 678473235 /nfs/dbraw/zinc/47/32/35/678473235.db2.gz ULRNOOGSFKCWLA-LBPRGKRZSA-N 1 1 306.370 -1.273 20 0 DAADMO NC(=O)CC(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001046017982 678473380 /nfs/dbraw/zinc/47/33/80/678473380.db2.gz SLKAHUVYIOHARX-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 ZINC001046017094 678473414 /nfs/dbraw/zinc/47/34/14/678473414.db2.gz LUGCAZGOOVOMAR-CYBMUJFWSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccon3)CC2)C1 ZINC001046017094 678473417 /nfs/dbraw/zinc/47/34/17/678473417.db2.gz LUGCAZGOOVOMAR-CYBMUJFWSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046016745 678473447 /nfs/dbraw/zinc/47/34/47/678473447.db2.gz JJJFMJRWUOUDOO-CYBMUJFWSA-N 1 1 320.397 -1.344 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001046016745 678473449 /nfs/dbraw/zinc/47/34/49/678473449.db2.gz JJJFMJRWUOUDOO-CYBMUJFWSA-N 1 1 320.397 -1.344 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037042 678473941 /nfs/dbraw/zinc/47/39/41/678473941.db2.gz JTWHWNPWVKQQFB-UONOGXRCSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032312 678474029 /nfs/dbraw/zinc/47/40/29/678474029.db2.gz AJRBGQQIIDFSMT-KBPBESRZSA-N 1 1 322.413 -1.123 20 0 DAADMO O=C([C@H]1CCCNC1=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046037041 678474043 /nfs/dbraw/zinc/47/40/43/678474043.db2.gz JTWHWNPWVKQQFB-KGLIPLIRSA-N 1 1 324.425 -1.277 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001046032313 678474061 /nfs/dbraw/zinc/47/40/61/678474061.db2.gz AJRBGQQIIDFSMT-KGLIPLIRSA-N 1 1 322.413 -1.123 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001046030316 678474087 /nfs/dbraw/zinc/47/40/87/678474087.db2.gz OGYYRLRLUCSJDF-CHWSQXEVSA-N 1 1 323.401 -1.728 20 0 DAADMO Cn1cc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)nn1 ZINC001046025559 678474093 /nfs/dbraw/zinc/47/40/93/678474093.db2.gz IECRYKXHPKFDHN-LBPRGKRZSA-N 1 1 308.386 -1.361 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046054179 678474459 /nfs/dbraw/zinc/47/44/59/678474459.db2.gz JKKADMVWRBLOLY-RMRHIDDWSA-N 1 1 322.409 -1.417 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)C1 ZINC001046054179 678474460 /nfs/dbraw/zinc/47/44/60/678474460.db2.gz JKKADMVWRBLOLY-RMRHIDDWSA-N 1 1 322.409 -1.417 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 ZINC001046037354 678474586 /nfs/dbraw/zinc/47/45/86/678474586.db2.gz XMGLUDOXDAGHPU-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001046054003 678474626 /nfs/dbraw/zinc/47/46/26/678474626.db2.gz ILXDFODFXDGLKM-NEPJUHHUSA-N 1 1 323.401 -1.577 20 0 DAADMO C[C@@]1(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CNC(=O)C1 ZINC001046047852 678474667 /nfs/dbraw/zinc/47/46/67/678474667.db2.gz ZMQWESMCZBEKBC-BBRMVZONSA-N 1 1 324.425 -1.277 20 0 DAADMO Cn1cncc1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046042449 678474835 /nfs/dbraw/zinc/47/48/35/678474835.db2.gz VEGRXNRISJMNFN-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO Cn1cncc1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046042449 678474839 /nfs/dbraw/zinc/47/48/39/678474839.db2.gz VEGRXNRISJMNFN-LBPRGKRZSA-N 1 1 320.397 -1.263 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042758 678474877 /nfs/dbraw/zinc/47/48/77/678474877.db2.gz MNBFECONBHKZBY-LLVKDONJSA-N 1 1 321.385 -1.617 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042758 678474879 /nfs/dbraw/zinc/47/48/79/678474879.db2.gz MNBFECONBHKZBY-LLVKDONJSA-N 1 1 321.385 -1.617 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnco3)CC2)C1 ZINC001046048853 678474926 /nfs/dbraw/zinc/47/49/26/678474926.db2.gz FRSKEBPRQHINKI-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnco3)CC2)C1 ZINC001046048853 678474930 /nfs/dbraw/zinc/47/49/30/678474930.db2.gz FRSKEBPRQHINKI-LLVKDONJSA-N 1 1 307.354 -1.008 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049603 678474938 /nfs/dbraw/zinc/47/49/38/678474938.db2.gz SMAZQYZUOBCLPM-RYUDHWBXSA-N 1 1 323.397 -2.174 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCNC3=O)CC2)C1 ZINC001046049603 678474944 /nfs/dbraw/zinc/47/49/44/678474944.db2.gz SMAZQYZUOBCLPM-RYUDHWBXSA-N 1 1 323.397 -2.174 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)C1 ZINC001046041906 678475000 /nfs/dbraw/zinc/47/50/00/678475000.db2.gz UVENQSQNFZJFDF-CYBMUJFWSA-N 1 1 322.413 -1.180 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042882 678475065 /nfs/dbraw/zinc/47/50/65/678475065.db2.gz PDILDLAMQPGIRH-QWRGUYRKSA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001046042882 678475068 /nfs/dbraw/zinc/47/50/68/678475068.db2.gz PDILDLAMQPGIRH-QWRGUYRKSA-N 1 1 321.385 -1.489 20 0 DAADMO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)C1 ZINC001046049119 678475082 /nfs/dbraw/zinc/47/50/82/678475082.db2.gz JWZIYZOOBYFUGD-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046037223 678475090 /nfs/dbraw/zinc/47/50/90/678475090.db2.gz MNWRDZBDRRGJNV-LBPRGKRZSA-N 1 1 312.414 -1.291 20 0 DAADMO Cn1nnc(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)n1 ZINC001046053637 678475104 /nfs/dbraw/zinc/47/51/04/678475104.db2.gz DQLAUAQADSHTAS-NSHDSACASA-N 1 1 309.374 -1.966 20 0 DAADMO CN1CC[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1=O ZINC001046055361 678475414 /nfs/dbraw/zinc/47/54/14/678475414.db2.gz PCHULMLBGRNGJL-KBPBESRZSA-N 1 1 324.425 -1.325 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001046056530 678475523 /nfs/dbraw/zinc/47/55/23/678475523.db2.gz GXKANOGKTDCMRF-MNOVXSKESA-N 1 1 309.370 -2.421 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001046057512 678475547 /nfs/dbraw/zinc/47/55/47/678475547.db2.gz PCSMVZOBCCKUSD-GHMZBOCLSA-N 1 1 311.386 -2.046 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046056661 678475598 /nfs/dbraw/zinc/47/55/98/678475598.db2.gz HIIONPATMSRDGB-LBPRGKRZSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046056396 678475614 /nfs/dbraw/zinc/47/56/14/678475614.db2.gz DFEGCANYWNGJJA-NWDGAFQWSA-N 1 1 323.397 -2.031 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046054252 678475775 /nfs/dbraw/zinc/47/57/75/678475775.db2.gz KBVOUVQLFUQJDB-GFCCVEGCSA-N 1 1 321.381 -1.406 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046056407 678475883 /nfs/dbraw/zinc/47/58/83/678475883.db2.gz DFEGCANYWNGJJA-VXGBXAGGSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 ZINC001046055641 678475893 /nfs/dbraw/zinc/47/58/93/678475893.db2.gz HBASZAHLTQAYET-CYBMUJFWSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3cnoc3)CC2)C1 ZINC001046055641 678475897 /nfs/dbraw/zinc/47/58/97/678475897.db2.gz HBASZAHLTQAYET-CYBMUJFWSA-N 1 1 321.381 -1.079 20 0 DAADMO NC(=O)C(=O)N1CCN([C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046056256 678475943 /nfs/dbraw/zinc/47/59/43/678475943.db2.gz CSCJDMJZYRNQQX-STQMWFEESA-N 1 1 310.398 -1.273 20 0 DAADMO NC(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046056253 678475969 /nfs/dbraw/zinc/47/59/69/678475969.db2.gz CSCJDMJZYRNQQX-CHWSQXEVSA-N 1 1 310.398 -1.273 20 0 DAADMO C[C@]1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CCNC1=O ZINC001046060564 678476213 /nfs/dbraw/zinc/47/62/13/678476213.db2.gz BWRHCBMYVKGALL-CJNGLKHVSA-N 1 1 324.425 -1.277 20 0 DAADMO CN1CC[C@@H]([N@H+]2CC[C@@H](N3CCN(C(=O)C(N)=O)CC3)C2)C1=O ZINC001046057857 678476275 /nfs/dbraw/zinc/47/62/75/678476275.db2.gz YTSLQESOEMQHBA-VXGBXAGGSA-N 1 1 323.397 -2.079 20 0 DAADMO NC(=O)C1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001046058757 678476544 /nfs/dbraw/zinc/47/65/44/678476544.db2.gz SHWSRSSUSNJGRJ-GFCCVEGCSA-N 1 1 310.398 -1.537 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046064070 678477115 /nfs/dbraw/zinc/47/71/15/678477115.db2.gz DVJHXKZTLVWSQQ-UPJWGTAASA-N 1 1 310.398 -1.681 20 0 DAADMO O=C(C[C@H]1CCC(=O)N1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046069237 678477154 /nfs/dbraw/zinc/47/71/54/678477154.db2.gz DSLAMTYJNQAZBC-ZIAGYGMSSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071586 678477460 /nfs/dbraw/zinc/47/74/60/678477460.db2.gz JXIAMAOHELVTIX-MNOVXSKESA-N 1 1 321.385 -1.489 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@H](N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC001046071586 678477462 /nfs/dbraw/zinc/47/74/62/678477462.db2.gz JXIAMAOHELVTIX-MNOVXSKESA-N 1 1 321.385 -1.489 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 ZINC001046066544 678477497 /nfs/dbraw/zinc/47/74/97/678477497.db2.gz GCRZIUQICROMMW-ZDUSSCGKSA-N 1 1 318.381 -1.206 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccnnc3)CC2)C1 ZINC001046066544 678477500 /nfs/dbraw/zinc/47/75/00/678477500.db2.gz GCRZIUQICROMMW-ZDUSSCGKSA-N 1 1 318.381 -1.206 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081039 678477506 /nfs/dbraw/zinc/47/75/06/678477506.db2.gz DPJYDVRQMONZRN-UONOGXRCSA-N 1 1 322.413 -1.123 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046076384 678477534 /nfs/dbraw/zinc/47/75/34/678477534.db2.gz MUTMMMPHSSXMEO-KBPBESRZSA-N 1 1 324.425 -1.134 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001046081041 678477572 /nfs/dbraw/zinc/47/75/72/678477572.db2.gz DPJYDVRQMONZRN-ZIAGYGMSSA-N 1 1 322.413 -1.123 20 0 DAADMO CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 ZINC001046070184 678477598 /nfs/dbraw/zinc/47/75/98/678477598.db2.gz MWYUDRYNFPIVLM-NEPJUHHUSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@H+](CC(N)=O)C3)CC2)n1 ZINC001046069812 678477760 /nfs/dbraw/zinc/47/77/60/678477760.db2.gz LEFPLZJQMPKNOH-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO Cn1ncc(C(=O)N2CCN([C@@H]3CC[N@@H+](CC(N)=O)C3)CC2)n1 ZINC001046069812 678477762 /nfs/dbraw/zinc/47/77/62/678477762.db2.gz LEFPLZJQMPKNOH-LLVKDONJSA-N 1 1 321.385 -1.868 20 0 DAADMO O=C(Cn1cncn1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046083531 678478116 /nfs/dbraw/zinc/47/81/16/678478116.db2.gz SJEKPADJDKHPQD-CYBMUJFWSA-N 1 1 308.386 -1.511 20 0 DAADMO Cc1nonc1C(=O)N1CCN([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001046087946 678478182 /nfs/dbraw/zinc/47/81/82/678478182.db2.gz BERSLTSZLFZOFF-NSHDSACASA-N 1 1 322.369 -1.305 20 0 DAADMO Cc1nonc1C(=O)N1CCN([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001046087946 678478186 /nfs/dbraw/zinc/47/81/86/678478186.db2.gz BERSLTSZLFZOFF-NSHDSACASA-N 1 1 322.369 -1.305 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088734 678478292 /nfs/dbraw/zinc/47/82/92/678478292.db2.gz UKVLCIYXGWKLHG-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3ccnc3)CC2)C1 ZINC001046088734 678478295 /nfs/dbraw/zinc/47/82/95/678478295.db2.gz UKVLCIYXGWKLHG-ZDUSSCGKSA-N 1 1 320.397 -1.413 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCNC3=O)C2)C1 ZINC001046271426 678480321 /nfs/dbraw/zinc/48/03/21/678480321.db2.gz LFCBZKQQBLGMKB-WFASDCNBSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCNC3=O)C2)C1 ZINC001046271426 678480325 /nfs/dbraw/zinc/48/03/25/678480325.db2.gz LFCBZKQQBLGMKB-WFASDCNBSA-N 1 1 308.382 -1.066 20 0 DAADMO Cn1nncc1C(=O)N[C@]1(C)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046286415 678480352 /nfs/dbraw/zinc/48/03/52/678480352.db2.gz WTOIOCUEFYUKIG-LKFCYVNXSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1nncc1C(=O)N[C@]1(C)CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001046286415 678480357 /nfs/dbraw/zinc/48/03/57/678480357.db2.gz WTOIOCUEFYUKIG-LKFCYVNXSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046283636 678480374 /nfs/dbraw/zinc/48/03/74/678480374.db2.gz LBEOMUMYAXNYBL-GWCFXTLKSA-N 1 1 308.342 -1.033 20 0 DAADMO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046283639 678480399 /nfs/dbraw/zinc/48/03/99/678480399.db2.gz LBEOMUMYAXNYBL-ZWNOBZJWSA-N 1 1 308.342 -1.033 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046283637 678480702 /nfs/dbraw/zinc/48/07/02/678480702.db2.gz LBEOMUMYAXNYBL-GXFFZTMASA-N 1 1 308.342 -1.033 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296498 678481067 /nfs/dbraw/zinc/48/10/67/678481067.db2.gz NKUQJZWWCWVDSP-YMTOWFKASA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cnc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)n1 ZINC001046296498 678481071 /nfs/dbraw/zinc/48/10/71/678481071.db2.gz NKUQJZWWCWVDSP-YMTOWFKASA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293547 678481261 /nfs/dbraw/zinc/48/12/61/678481261.db2.gz MWKRJDYMUZLCED-QMTHXVAHSA-N 1 1 320.353 -1.186 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nn1 ZINC001046293547 678481263 /nfs/dbraw/zinc/48/12/63/678481263.db2.gz MWKRJDYMUZLCED-QMTHXVAHSA-N 1 1 320.353 -1.186 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@H+](CC(N)=O)C1 ZINC001046463084 678482574 /nfs/dbraw/zinc/48/25/74/678482574.db2.gz CXZGPAZTQDZFJF-HZMBPMFUSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCCN(C(N)=O)C2)CC[N@@H+](CC(N)=O)C1 ZINC001046463084 678482577 /nfs/dbraw/zinc/48/25/77/678482577.db2.gz CXZGPAZTQDZFJF-HZMBPMFUSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@H+](CC(N)=O)C1 ZINC001046463088 678482752 /nfs/dbraw/zinc/48/27/52/678482752.db2.gz CXZGPAZTQDZFJF-YGRLFVJLSA-N 1 1 311.386 -1.157 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@@H+](CC(N)=O)C1 ZINC001046463088 678482754 /nfs/dbraw/zinc/48/27/54/678482754.db2.gz CXZGPAZTQDZFJF-YGRLFVJLSA-N 1 1 311.386 -1.157 20 0 DAADMO CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046507175 678483491 /nfs/dbraw/zinc/48/34/91/678483491.db2.gz HPNLJLOMQPCGHJ-CABZTGNLSA-N 1 1 303.384 -1.500 20 0 DAADMO CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001046507175 678483494 /nfs/dbraw/zinc/48/34/94/678483494.db2.gz HPNLJLOMQPCGHJ-CABZTGNLSA-N 1 1 303.384 -1.500 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001046502770 678483705 /nfs/dbraw/zinc/48/37/05/678483705.db2.gz NCXHDWYLTZNUEJ-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO Cn1cc(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCNC3=O)C2)ncc1=O ZINC001046502770 678483706 /nfs/dbraw/zinc/48/37/06/678483706.db2.gz NCXHDWYLTZNUEJ-IAQYHMDHSA-N 1 1 319.365 -1.137 20 0 DAADMO C[C@H](NC(=O)c1nc2n(n1)CCCN2)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812014 678483742 /nfs/dbraw/zinc/48/37/42/678483742.db2.gz QMVCIKBFEHWTAI-QWRGUYRKSA-N 1 1 307.402 -1.285 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)c1=O ZINC001046535231 678484171 /nfs/dbraw/zinc/48/41/71/678484171.db2.gz LCMFVOSRJVEJOH-CYBMUJFWSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)c1=O ZINC001046535231 678484174 /nfs/dbraw/zinc/48/41/74/678484174.db2.gz LCMFVOSRJVEJOH-CYBMUJFWSA-N 1 1 309.326 -1.835 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC(N)=O)C1 ZINC001046531942 678484233 /nfs/dbraw/zinc/48/42/33/678484233.db2.gz XNMMHUXEYOOJKT-UHFFFAOYSA-N 1 1 300.359 -2.107 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](CC(=O)NC2CC2)C1 ZINC001046538756 678484422 /nfs/dbraw/zinc/48/44/22/678484422.db2.gz LMBDRJKCHKLYJH-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001046538756 678484425 /nfs/dbraw/zinc/48/44/25/678484425.db2.gz LMBDRJKCHKLYJH-ABAIWWIYSA-N 1 1 308.382 -1.018 20 0 DAADMO CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)c2cnnn2C)C1 ZINC001046526018 678484592 /nfs/dbraw/zinc/48/45/92/678484592.db2.gz YRCHHDZPBHUGQN-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542470 678485067 /nfs/dbraw/zinc/48/50/67/678485067.db2.gz JZIJFGPZVLMJPU-IAQYHMDHSA-N 1 1 323.397 -1.177 20 0 DAADMO CN1C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)NC1=O ZINC001046542470 678485069 /nfs/dbraw/zinc/48/50/69/678485069.db2.gz JZIJFGPZVLMJPU-IAQYHMDHSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001046546020 678485565 /nfs/dbraw/zinc/48/55/65/678485565.db2.gz CBTUDBPQFZCSBN-RNCFNFMXSA-N 1 1 307.358 -1.365 20 0 DAADMO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC001046546020 678485567 /nfs/dbraw/zinc/48/55/67/678485567.db2.gz CBTUDBPQFZCSBN-RNCFNFMXSA-N 1 1 307.358 -1.365 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](CCn2cncn2)C1 ZINC001046585262 678486377 /nfs/dbraw/zinc/48/63/77/678486377.db2.gz FYKPTDVZTYFATD-MFKMUULPSA-N 1 1 307.358 -1.460 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](CC(=O)N2CCC2)C1 ZINC001046588114 678487024 /nfs/dbraw/zinc/48/70/24/678487024.db2.gz OJIYXVLSYNHOQJ-IINYFYTJSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001046588114 678487027 /nfs/dbraw/zinc/48/70/27/678487027.db2.gz OJIYXVLSYNHOQJ-IINYFYTJSA-N 1 1 309.370 -1.519 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@H+](CC(N)=O)C1 ZINC001046638229 678487718 /nfs/dbraw/zinc/48/77/18/678487718.db2.gz VSFXFLJVYZQFKV-HZMBPMFUSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@]1(NC(=O)[C@H]2CCc3nnnn3CC2)CC[N@@H+](CC(N)=O)C1 ZINC001046638229 678487721 /nfs/dbraw/zinc/48/77/21/678487721.db2.gz VSFXFLJVYZQFKV-HZMBPMFUSA-N 1 1 321.385 -1.309 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001046670083 678488243 /nfs/dbraw/zinc/48/82/43/678488243.db2.gz KHLXOSGKVKCAEJ-ZUZCIYMTSA-N 1 1 324.381 -1.341 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695910 678488732 /nfs/dbraw/zinc/48/87/32/678488732.db2.gz RRDGLKIIYJGAKJ-PSLIRLAXSA-N 1 1 324.381 -1.246 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001046695910 678488736 /nfs/dbraw/zinc/48/87/36/678488736.db2.gz RRDGLKIIYJGAKJ-PSLIRLAXSA-N 1 1 324.381 -1.246 20 0 DAADMO C[C@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001046699687 678488813 /nfs/dbraw/zinc/48/88/13/678488813.db2.gz PQYOIKOAVDMDRP-BMIGLBTASA-N 1 1 322.365 -1.492 20 0 DAADMO C[C@]1(NC(=O)C2CC(=O)NC(=O)C2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001046699687 678488816 /nfs/dbraw/zinc/48/88/16/678488816.db2.gz PQYOIKOAVDMDRP-BMIGLBTASA-N 1 1 322.365 -1.492 20 0 DAADMO COCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001046685452 678488924 /nfs/dbraw/zinc/48/89/24/678488924.db2.gz TUFNCCDCXINUMJ-RYUDHWBXSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cnon2)C1 ZINC001046686095 678489079 /nfs/dbraw/zinc/48/90/79/678489079.db2.gz ZBSNFWNGOIRWFN-UWVGGRQHSA-N 1 1 323.353 -1.430 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046768780 678490960 /nfs/dbraw/zinc/49/09/60/678490960.db2.gz GEQGBCXWLKXHIO-LKFCYVNXSA-N 1 1 320.353 -1.007 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823174 678492363 /nfs/dbraw/zinc/49/23/63/678492363.db2.gz ZHRUHMODABZEDF-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001046823174 678492366 /nfs/dbraw/zinc/49/23/66/678492366.db2.gz ZHRUHMODABZEDF-XPTSAGLGSA-N 1 1 307.354 -1.152 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046843739 678492441 /nfs/dbraw/zinc/49/24/41/678492441.db2.gz CPBJBYRQSPYKTO-CABZTGNLSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001046843739 678492442 /nfs/dbraw/zinc/49/24/42/678492442.db2.gz CPBJBYRQSPYKTO-CABZTGNLSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046843738 678492457 /nfs/dbraw/zinc/49/24/57/678492457.db2.gz CPBJBYRQSPYKTO-BXKDBHETSA-N 1 1 318.399 -1.995 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001046843738 678492458 /nfs/dbraw/zinc/49/24/58/678492458.db2.gz CPBJBYRQSPYKTO-BXKDBHETSA-N 1 1 318.399 -1.995 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854448 678492560 /nfs/dbraw/zinc/49/25/60/678492560.db2.gz PIJOZGWQSYWPJI-ISVAXAHUSA-N 1 1 323.357 -2.169 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854448 678492563 /nfs/dbraw/zinc/49/25/63/678492563.db2.gz PIJOZGWQSYWPJI-ISVAXAHUSA-N 1 1 323.357 -2.169 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001046830581 678492741 /nfs/dbraw/zinc/49/27/41/678492741.db2.gz UQEJTOYAVJEHGJ-ZDUSSCGKSA-N 1 1 309.326 -1.835 20 0 DAADMO Cn1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)c(=O)[nH]c1=O ZINC001046830581 678492743 /nfs/dbraw/zinc/49/27/43/678492743.db2.gz UQEJTOYAVJEHGJ-ZDUSSCGKSA-N 1 1 309.326 -1.835 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046854879 678493251 /nfs/dbraw/zinc/49/32/51/678493251.db2.gz VZJLAOOBHARBBC-NOZJJQNGSA-N 1 1 310.358 -1.662 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046855118 678493280 /nfs/dbraw/zinc/49/32/80/678493280.db2.gz YTEDJGRVGSWNSF-IINYFYTJSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859002 678493355 /nfs/dbraw/zinc/49/33/55/678493355.db2.gz IIVLXYJETLRFEV-LKFCYVNXSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001046859002 678493358 /nfs/dbraw/zinc/49/33/58/678493358.db2.gz IIVLXYJETLRFEV-LKFCYVNXSA-N 1 1 309.370 -1.208 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCc3nncn3C2)CC[N@H+](CC(N)=O)C1 ZINC001046855767 678493419 /nfs/dbraw/zinc/49/34/19/678493419.db2.gz WKCJKRMLXSXQFW-YGRLFVJLSA-N 1 1 306.370 -1.094 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2CCc3nncn3C2)CC[N@@H+](CC(N)=O)C1 ZINC001046855767 678493421 /nfs/dbraw/zinc/49/34/21/678493421.db2.gz WKCJKRMLXSXQFW-YGRLFVJLSA-N 1 1 306.370 -1.094 20 0 DAADMO CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cncn2)C1 ZINC001046865698 678493423 /nfs/dbraw/zinc/49/34/23/678493423.db2.gz ASFWFBZHODZUOA-UHFFFAOYSA-N 1 1 324.385 -1.691 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)Cn3cncn3)C2)C1 ZINC001046870664 678494217 /nfs/dbraw/zinc/49/42/17/678494217.db2.gz BEYRVCFFSOJBGG-NSHDSACASA-N 1 1 322.369 -2.081 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046899009 678495542 /nfs/dbraw/zinc/49/55/42/678495542.db2.gz ORYYJSXOHVWWSR-JTQLQIEISA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046899009 678495548 /nfs/dbraw/zinc/49/55/48/678495548.db2.gz ORYYJSXOHVWWSR-JTQLQIEISA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046899009 678495551 /nfs/dbraw/zinc/49/55/51/678495551.db2.gz ORYYJSXOHVWWSR-JTQLQIEISA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001046899010 678495743 /nfs/dbraw/zinc/49/57/43/678495743.db2.gz ORYYJSXOHVWWSR-SNVBAGLBSA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046899010 678495751 /nfs/dbraw/zinc/49/57/51/678495751.db2.gz ORYYJSXOHVWWSR-SNVBAGLBSA-N 1 1 322.369 -1.869 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046899010 678495756 /nfs/dbraw/zinc/49/57/56/678495756.db2.gz ORYYJSXOHVWWSR-SNVBAGLBSA-N 1 1 322.369 -1.869 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001046905433 678496994 /nfs/dbraw/zinc/49/69/94/678496994.db2.gz QXNUAVGGAFARON-UHFFFAOYSA-N 1 1 310.358 -2.012 20 0 DAADMO Cn1nnc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCC2(F)F)n1 ZINC001046963138 678497833 /nfs/dbraw/zinc/49/78/33/678497833.db2.gz DZQQYCVHGVKGNS-MRVPVSSYSA-N 1 1 304.301 -1.111 20 0 DAADMO O=C(NC[C@@H]1C[N@@H+](CCO)CCC1(F)F)[C@@H]1CNC(=O)N1 ZINC001046971099 678497844 /nfs/dbraw/zinc/49/78/44/678497844.db2.gz NRKLAMUEBJRJKK-BDAKNGLRSA-N 1 1 306.313 -1.267 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)n1 ZINC001047072127 678498861 /nfs/dbraw/zinc/49/88/61/678498861.db2.gz IGEMSNVWGSFKKE-DCAQKATOSA-N 1 1 322.369 -1.662 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047088344 678499281 /nfs/dbraw/zinc/49/92/81/678499281.db2.gz AQFBHKCEAUJJLW-XQQFMLRXSA-N 1 1 311.382 -1.193 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)ncc1=O ZINC001047116678 678499311 /nfs/dbraw/zinc/49/93/11/678499311.db2.gz SASKJZFIXKZPLH-AXFHLTTASA-N 1 1 319.365 -1.152 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)c1=O ZINC001047096873 678499463 /nfs/dbraw/zinc/49/94/63/678499463.db2.gz HELSJIXTPPXLTR-AXFHLTTASA-N 1 1 322.369 -1.964 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)C1 ZINC001047136898 678500614 /nfs/dbraw/zinc/50/06/14/678500614.db2.gz YBEQTKQIQSKPCF-VXGBXAGGSA-N 1 1 323.393 -1.193 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC34CC4)C2)C1 ZINC001047136898 678500616 /nfs/dbraw/zinc/50/06/16/678500616.db2.gz YBEQTKQIQSKPCF-VXGBXAGGSA-N 1 1 323.393 -1.193 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047162481 678501200 /nfs/dbraw/zinc/50/12/00/678501200.db2.gz LXUJGYCLCKXDFL-TUAOUCFPSA-N 1 1 324.381 -1.110 20 0 DAADMO C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001047176615 678501981 /nfs/dbraw/zinc/50/19/81/678501981.db2.gz FSBHCTWPMGJPND-UHFFFAOYSA-N 1 1 309.370 -1.407 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001047268735 678502482 /nfs/dbraw/zinc/50/24/82/678502482.db2.gz TYMRMVCEHOODEM-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CCC(=O)N(C)[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001047268735 678502484 /nfs/dbraw/zinc/50/24/84/678502484.db2.gz TYMRMVCEHOODEM-RYUDHWBXSA-N 1 1 319.427 -1.065 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)C1=O ZINC001047198006 678502493 /nfs/dbraw/zinc/50/24/93/678502493.db2.gz RJXJTDFSHNCSGA-TUAOUCFPSA-N 1 1 324.381 -1.158 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001047270937 678502567 /nfs/dbraw/zinc/50/25/67/678502567.db2.gz YEGZVOBKTBCMKO-RYUDHWBXSA-N 1 1 310.354 -1.893 20 0 DAADMO CC(=O)N(C)[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001047270937 678502569 /nfs/dbraw/zinc/50/25/69/678502569.db2.gz YEGZVOBKTBCMKO-RYUDHWBXSA-N 1 1 310.354 -1.893 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)n(C)c1=O ZINC001047207489 678502671 /nfs/dbraw/zinc/50/26/71/678502671.db2.gz YHACAJLUYCWYIR-AXFHLTTASA-N 1 1 321.381 -1.208 20 0 DAADMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047291632 678503177 /nfs/dbraw/zinc/50/31/77/678503177.db2.gz POBDYKXREFEKQI-AVGNSLFASA-N 1 1 309.370 -1.039 20 0 DAADMO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047291632 678503188 /nfs/dbraw/zinc/50/31/88/678503188.db2.gz POBDYKXREFEKQI-AVGNSLFASA-N 1 1 309.370 -1.039 20 0 DAADMO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047290621 678503360 /nfs/dbraw/zinc/50/33/60/678503360.db2.gz CSFUOQBQPWGGTA-RYUDHWBXSA-N 1 1 323.353 -1.330 20 0 DAADMO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047290621 678503363 /nfs/dbraw/zinc/50/33/63/678503363.db2.gz CSFUOQBQPWGGTA-RYUDHWBXSA-N 1 1 323.353 -1.330 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047295012 678503652 /nfs/dbraw/zinc/50/36/52/678503652.db2.gz COQSICPNFNXJLX-AVGNSLFASA-N 1 1 324.385 -1.254 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296197 678503888 /nfs/dbraw/zinc/50/38/88/678503888.db2.gz ZQQNVBALPSVIMM-GUBZILKMSA-N 1 1 311.346 -2.560 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296197 678503890 /nfs/dbraw/zinc/50/38/90/678503890.db2.gz ZQQNVBALPSVIMM-GUBZILKMSA-N 1 1 311.346 -2.560 20 0 DAADMO CN(C(=O)Cn1cnnn1)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047295867 678503968 /nfs/dbraw/zinc/50/39/68/678503968.db2.gz UREVJQGCPJHIRQ-AVGNSLFASA-N 1 1 324.385 -1.397 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047303033 678504347 /nfs/dbraw/zinc/50/43/47/678504347.db2.gz WRZXDDLZYYLSQO-AVGNSLFASA-N 1 1 321.381 -1.335 20 0 DAADMO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047303033 678504349 /nfs/dbraw/zinc/50/43/49/678504349.db2.gz WRZXDDLZYYLSQO-AVGNSLFASA-N 1 1 321.381 -1.335 20 0 DAADMO CCc1cc(C(=O)N(C)[C@H]2CN([C@@H](C)C(N)=O)C[C@@H]2O)n[nH]1 ZINC001047307298 678505278 /nfs/dbraw/zinc/50/52/78/678505278.db2.gz IAXGDZZSSSPUSK-UWJYBYFXSA-N 1 1 309.370 -1.037 20 0 DAADMO CN(C(=O)c1ccn[nH]1)[C@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001047309392 678505420 /nfs/dbraw/zinc/50/54/20/678505420.db2.gz BKYOXUOPOMQGSE-VWYCJHECSA-N 1 1 321.337 -1.668 20 0 DAADMO CN(C(=O)c1ccnn1C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047321360 678506692 /nfs/dbraw/zinc/50/66/92/678506692.db2.gz JZLOKYMFGAWZRR-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1ccnn1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047321360 678506695 /nfs/dbraw/zinc/50/66/95/678506695.db2.gz JZLOKYMFGAWZRR-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001047324561 678507215 /nfs/dbraw/zinc/50/72/15/678507215.db2.gz UHRTUYKWVQUQOH-WOPDTQHZSA-N 1 1 323.401 -1.692 20 0 DAADMO CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047323911 678507641 /nfs/dbraw/zinc/50/76/41/678507641.db2.gz ASDYRLIADMCBMZ-AVGNSLFASA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C(=O)Cc1ccon1)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047325477 678507653 /nfs/dbraw/zinc/50/76/53/678507653.db2.gz DQHZJNHRAVDSNL-AVGNSLFASA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)Cc1ccon1)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047325477 678507654 /nfs/dbraw/zinc/50/76/54/678507654.db2.gz DQHZJNHRAVDSNL-AVGNSLFASA-N 1 1 322.365 -1.001 20 0 DAADMO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047324279 678507725 /nfs/dbraw/zinc/50/77/25/678507725.db2.gz MRNGTUMYYVSSKZ-IHRRRGAJSA-N 1 1 322.413 -1.124 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047331241 678508508 /nfs/dbraw/zinc/50/85/08/678508508.db2.gz DUCGRSINQWXNQD-WOPDTQHZSA-N 1 1 307.354 -1.656 20 0 DAADMO CN(C(=O)Cc1ccn[nH]1)[C@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001047333201 678508678 /nfs/dbraw/zinc/50/86/78/678508678.db2.gz UPIZEBYEHCZENE-AGIUHOORSA-N 1 1 321.381 -1.314 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047350802 678509061 /nfs/dbraw/zinc/50/90/61/678509061.db2.gz MPNHXDIFCJNELW-IHRRRGAJSA-N 1 1 315.414 -1.143 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334130 678509088 /nfs/dbraw/zinc/50/90/88/678509088.db2.gz YUQXGDXKYZLWIS-SDDRHHMPSA-N 1 1 314.386 -2.434 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334130 678509090 /nfs/dbraw/zinc/50/90/90/678509090.db2.gz YUQXGDXKYZLWIS-SDDRHHMPSA-N 1 1 314.386 -2.434 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001047333658 678509298 /nfs/dbraw/zinc/50/92/98/678509298.db2.gz NRUYZDHOILFCQY-RWMBFGLXSA-N 1 1 301.387 -1.533 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334134 678509325 /nfs/dbraw/zinc/50/93/25/678509325.db2.gz YUQXGDXKYZLWIS-SRVKXCTJSA-N 1 1 314.386 -2.434 20 0 DAADMO CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334134 678509328 /nfs/dbraw/zinc/50/93/28/678509328.db2.gz YUQXGDXKYZLWIS-SRVKXCTJSA-N 1 1 314.386 -2.434 20 0 DAADMO CN(C(=O)[C@H]1COCCN1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047355945 678510376 /nfs/dbraw/zinc/51/03/76/678510376.db2.gz OQNGTKLDMMXKBT-XQQFMLRXSA-N 1 1 301.387 -1.797 20 0 DAADMO CN(C(=O)CN1CN=NC1=O)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047354330 678510398 /nfs/dbraw/zinc/51/03/98/678510398.db2.gz BUTTVPZJKYFKLY-UWVGGRQHSA-N 1 1 301.322 -1.153 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047354104 678510435 /nfs/dbraw/zinc/51/04/35/678510435.db2.gz ZFIBSQDFGYNYTM-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO CN(C(=O)[C@@H]1COCCN1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047355944 678510457 /nfs/dbraw/zinc/51/04/57/678510457.db2.gz OQNGTKLDMMXKBT-AVGNSLFASA-N 1 1 301.387 -1.797 20 0 DAADMO CN(C(=O)[C@H]1COC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047367077 678511675 /nfs/dbraw/zinc/51/16/75/678511675.db2.gz DOZLKUYYPGOSRB-WOPDTQHZSA-N 1 1 323.353 -1.505 20 0 DAADMO CN(C(=O)c1ncn(C)n1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047370477 678512161 /nfs/dbraw/zinc/51/21/61/678512161.db2.gz JYXAADHMEQWCKI-SRVKXCTJSA-N 1 1 309.370 -1.031 20 0 DAADMO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047371229 678512298 /nfs/dbraw/zinc/51/22/98/678512298.db2.gz USVWNOTYVCRUHB-WXHSDQCUSA-N 1 1 309.370 -1.031 20 0 DAADMO COCCn1cc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)nn1 ZINC001047379111 678513389 /nfs/dbraw/zinc/51/33/89/678513389.db2.gz VNYCRPXEGLTXFZ-RYUDHWBXSA-N 1 1 313.358 -1.966 20 0 DAADMO C[C@H](F)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047380979 678513299 /nfs/dbraw/zinc/51/32/99/678513299.db2.gz CHPPUQJJDFWMFQ-DCAQKATOSA-N 1 1 300.338 -1.075 20 0 DAADMO COCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC001047379111 678513392 /nfs/dbraw/zinc/51/33/92/678513392.db2.gz VNYCRPXEGLTXFZ-RYUDHWBXSA-N 1 1 313.358 -1.966 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001047376550 678513402 /nfs/dbraw/zinc/51/34/02/678513402.db2.gz PHFIMEDOLQAMAX-DCAQKATOSA-N 1 1 324.385 -1.577 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001047376550 678513404 /nfs/dbraw/zinc/51/34/04/678513404.db2.gz PHFIMEDOLQAMAX-DCAQKATOSA-N 1 1 324.385 -1.577 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001047376551 678513509 /nfs/dbraw/zinc/51/35/09/678513509.db2.gz PHFIMEDOLQAMAX-VWYCJHECSA-N 1 1 324.385 -1.577 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001047376551 678513511 /nfs/dbraw/zinc/51/35/11/678513511.db2.gz PHFIMEDOLQAMAX-VWYCJHECSA-N 1 1 324.385 -1.577 20 0 DAADMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047380395 678513584 /nfs/dbraw/zinc/51/35/84/678513584.db2.gz MKABKHLJLYLHRT-AVGNSLFASA-N 1 1 312.414 -1.152 20 0 DAADMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047376078 678513649 /nfs/dbraw/zinc/51/36/49/678513649.db2.gz RMIQXVJRGHKNCL-QWRGUYRKSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047376078 678513652 /nfs/dbraw/zinc/51/36/52/678513652.db2.gz RMIQXVJRGHKNCL-QWRGUYRKSA-N 1 1 322.369 -1.448 20 0 DAADMO CN(C(=O)Cn1ncnn1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047382065 678514305 /nfs/dbraw/zinc/51/43/05/678514305.db2.gz VFFWQXQQANAHTD-SRVKXCTJSA-N 1 1 310.358 -1.787 20 0 DAADMO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047389176 678514803 /nfs/dbraw/zinc/51/48/03/678514803.db2.gz WAFMQQSNDOPPDE-UWVGGRQHSA-N 1 1 312.374 -1.463 20 0 DAADMO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047389176 678514805 /nfs/dbraw/zinc/51/48/05/678514805.db2.gz WAFMQQSNDOPPDE-UWVGGRQHSA-N 1 1 312.374 -1.463 20 0 DAADMO CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047385823 678514920 /nfs/dbraw/zinc/51/49/20/678514920.db2.gz CUSZZJUOYMVZJA-UWVGGRQHSA-N 1 1 310.358 -1.711 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047397703 678515308 /nfs/dbraw/zinc/51/53/08/678515308.db2.gz GEIVLFXPMADESQ-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047397703 678515312 /nfs/dbraw/zinc/51/53/12/678515312.db2.gz GEIVLFXPMADESQ-RYUDHWBXSA-N 1 1 320.357 -1.927 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047401391 678515477 /nfs/dbraw/zinc/51/54/77/678515477.db2.gz OQUYGPJDLKUIDT-AVGNSLFASA-N 1 1 312.414 -1.150 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047398178 678515803 /nfs/dbraw/zinc/51/58/03/678515803.db2.gz VEJLXEHPNYVXPU-STQMWFEESA-N 1 1 319.369 -1.285 20 0 DAADMO CN(C(=O)Cn1nccn1)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047398178 678515807 /nfs/dbraw/zinc/51/58/07/678515807.db2.gz VEJLXEHPNYVXPU-STQMWFEESA-N 1 1 319.369 -1.285 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047400795 678515928 /nfs/dbraw/zinc/51/59/28/678515928.db2.gz JWMZYSBYBRZNDV-RNJOBUHISA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047400795 678515929 /nfs/dbraw/zinc/51/59/29/678515929.db2.gz JWMZYSBYBRZNDV-RNJOBUHISA-N 1 1 311.382 -1.195 20 0 DAADMO CC(C)N1C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001047401644 678516001 /nfs/dbraw/zinc/51/60/01/678516001.db2.gz AOOZLIYQFAYTBT-AGIUHOORSA-N 1 1 313.398 -1.261 20 0 DAADMO CN(C(=O)c1cnn2ccncc12)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047409700 678516165 /nfs/dbraw/zinc/51/61/65/678516165.db2.gz SWKDZWJIOLEESH-STQMWFEESA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047408822 678516480 /nfs/dbraw/zinc/51/64/80/678516480.db2.gz DUEDLPDFEZBPSD-SRVKXCTJSA-N 1 1 321.381 -1.251 20 0 DAADMO CN(C(=O)CN1CCOCC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047409606 678516568 /nfs/dbraw/zinc/51/65/68/678516568.db2.gz OQQYFPWSORFGJG-RYUDHWBXSA-N 1 1 315.370 -2.269 20 0 DAADMO CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047408823 678516622 /nfs/dbraw/zinc/51/66/22/678516622.db2.gz DUEDLPDFEZBPSD-WOPDTQHZSA-N 1 1 321.381 -1.251 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3n2CCOC3)C1 ZINC001047415560 678516877 /nfs/dbraw/zinc/51/68/77/678516877.db2.gz GFQLKVNBVMSVNM-WXHSDQCUSA-N 1 1 324.381 -1.089 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001047414663 678517071 /nfs/dbraw/zinc/51/70/71/678517071.db2.gz QMEYIOPZRWDOGI-CYDGBPFRSA-N 1 1 302.371 -1.060 20 0 DAADMO CN(C(=O)C[C@@H]1CCN(C)C1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047420236 678517790 /nfs/dbraw/zinc/51/77/90/678517790.db2.gz FSSNDDMCLTYKOR-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001047432351 678518680 /nfs/dbraw/zinc/51/86/80/678518680.db2.gz LZIYQNAAKNJZGI-WXHSDQCUSA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047438578 678518962 /nfs/dbraw/zinc/51/89/62/678518962.db2.gz LMLJIMMFCDKRKA-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1cn[nH]n1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047438578 678518965 /nfs/dbraw/zinc/51/89/65/678518965.db2.gz LMLJIMMFCDKRKA-RYUDHWBXSA-N 1 1 305.342 -1.182 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433485 678518976 /nfs/dbraw/zinc/51/89/76/678518976.db2.gz DDXCAJMDNNWDMX-QWRGUYRKSA-N 1 1 313.358 -2.268 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCCC2=O)C1 ZINC001047438856 678519463 /nfs/dbraw/zinc/51/94/63/678519463.db2.gz ULJIRGSVLRVGGO-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047434156 678519549 /nfs/dbraw/zinc/51/95/49/678519549.db2.gz QVMOPWBKPXUZNF-RYUDHWBXSA-N 1 1 311.386 -1.115 20 0 DAADMO CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047433301 678519565 /nfs/dbraw/zinc/51/95/65/678519565.db2.gz IVWJAWVOSRJEMZ-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001047442050 678520013 /nfs/dbraw/zinc/52/00/13/678520013.db2.gz XZMXWFOFSFBWOE-DRZSPHRISA-N 1 1 309.366 -1.117 20 0 DAADMO CN(C(=O)CN1CCCNC1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047442469 678520213 /nfs/dbraw/zinc/52/02/13/678520213.db2.gz DEMKFIKSIGOZCP-RYUDHWBXSA-N 1 1 314.386 -1.712 20 0 DAADMO CN(C(=O)c1cn2cccnc2n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047441638 678520234 /nfs/dbraw/zinc/52/02/34/678520234.db2.gz KSXXKOOFNBDTNT-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cn2cccnc2n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047441638 678520237 /nfs/dbraw/zinc/52/02/37/678520237.db2.gz KSXXKOOFNBDTNT-RYUDHWBXSA-N 1 1 305.338 -1.161 20 0 DAADMO CN(C(=O)c1cncn1C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047445676 678520608 /nfs/dbraw/zinc/52/06/08/678520608.db2.gz JGYGORMZUUAGNM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)c1cncn1C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047445676 678520611 /nfs/dbraw/zinc/52/06/11/678520611.db2.gz JGYGORMZUUAGNM-STQMWFEESA-N 1 1 319.369 -1.171 20 0 DAADMO CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047445693 678520767 /nfs/dbraw/zinc/52/07/67/678520767.db2.gz KHLVLAHHOLCUKQ-RYUDHWBXSA-N 1 1 322.365 -1.138 20 0 DAADMO CN(C(=O)c1cn(C)ccc1=O)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047453304 678521324 /nfs/dbraw/zinc/52/13/24/678521324.db2.gz QYZBLZFUMOSDDF-JSGCOSHPSA-N 1 1 309.366 -1.115 20 0 DAADMO CN(C(=O)c1cn(C)ccc1=O)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047453304 678521325 /nfs/dbraw/zinc/52/13/25/678521325.db2.gz QYZBLZFUMOSDDF-JSGCOSHPSA-N 1 1 309.366 -1.115 20 0 DAADMO CN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047451342 678521619 /nfs/dbraw/zinc/52/16/19/678521619.db2.gz YDSPHUYGYKQINL-AVGNSLFASA-N 1 1 313.398 -1.069 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047463258 678521953 /nfs/dbraw/zinc/52/19/53/678521953.db2.gz ZFAWGUDQNDKZAM-USWWRNFRSA-N 1 1 310.354 -1.722 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047462963 678522006 /nfs/dbraw/zinc/52/20/06/678522006.db2.gz QALYGIKGCFDMIQ-DRZSPHRISA-N 1 1 324.381 -1.068 20 0 DAADMO CN(C(=O)c1ccc2nnnn2c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047457768 678522239 /nfs/dbraw/zinc/52/22/39/678522239.db2.gz MQRDQRDIMMXYEV-QWRGUYRKSA-N 1 1 306.326 -1.766 20 0 DAADMO CN(C(=O)c1ccc2nnnn2c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047457768 678522240 /nfs/dbraw/zinc/52/22/40/678522240.db2.gz MQRDQRDIMMXYEV-QWRGUYRKSA-N 1 1 306.326 -1.766 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047463257 678522246 /nfs/dbraw/zinc/52/22/46/678522246.db2.gz ZFAWGUDQNDKZAM-DLOVCJGASA-N 1 1 310.354 -1.722 20 0 DAADMO CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)cn2)C1 ZINC001047462753 678522308 /nfs/dbraw/zinc/52/23/08/678522308.db2.gz LWNNYUDXBBMADM-WXHSDQCUSA-N 1 1 324.381 -1.068 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3nnnn3c2)C1 ZINC001047457839 678522325 /nfs/dbraw/zinc/52/23/25/678522325.db2.gz PFJSQNDMLDVXDC-USWWRNFRSA-N 1 1 320.353 -1.378 20 0 DAADMO CCn1cc(CC(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)nn1 ZINC001047466979 678522390 /nfs/dbraw/zinc/52/23/90/678522390.db2.gz YJGLUYBZKQSVKP-WXHSDQCUSA-N 1 1 311.386 -1.275 20 0 DAADMO CN(C(=O)C[C@H]1CCC(=O)N1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047480733 678523168 /nfs/dbraw/zinc/52/31/68/678523168.db2.gz QOOZOHWBICUTIZ-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C(=O)Cc1ccccc1C(N)=O)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047482222 678523179 /nfs/dbraw/zinc/52/31/79/678523179.db2.gz PDWZFYMGUIXLRK-KBPBESRZSA-N 1 1 321.377 -1.176 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047482236 678523272 /nfs/dbraw/zinc/52/32/72/678523272.db2.gz PUUUXUJVWTXXDW-QWRGUYRKSA-N 1 1 320.357 -1.478 20 0 DAADMO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047482236 678523277 /nfs/dbraw/zinc/52/32/77/678523277.db2.gz PUUUXUJVWTXXDW-QWRGUYRKSA-N 1 1 320.357 -1.478 20 0 DAADMO CN(C(=O)C[C@@H]1CCC(=O)N1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047480735 678523388 /nfs/dbraw/zinc/52/33/88/678523388.db2.gz QOOZOHWBICUTIZ-AVGNSLFASA-N 1 1 313.398 -1.117 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047482727 678523468 /nfs/dbraw/zinc/52/34/68/678523468.db2.gz HXGSKTQUQAUFNL-AGIUHOORSA-N 1 1 321.381 -1.440 20 0 DAADMO CN(C(=O)[C@@H]1CCNC1=O)[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001047482727 678523471 /nfs/dbraw/zinc/52/34/71/678523471.db2.gz HXGSKTQUQAUFNL-AGIUHOORSA-N 1 1 321.381 -1.440 20 0 DAADMO CN(C(=O)c1ccn2nnnc2c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047482589 678523583 /nfs/dbraw/zinc/52/35/83/678523583.db2.gz DKZXOGOSPSIGNF-RYUDHWBXSA-N 1 1 320.353 -1.376 20 0 DAADMO CN(C(=O)c1cnco1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047478397 678523586 /nfs/dbraw/zinc/52/35/86/678523586.db2.gz KWKAVLHDSBSFTR-QWRGUYRKSA-N 1 1 323.353 -1.183 20 0 DAADMO CN(C(=O)c1cnco1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047478397 678523587 /nfs/dbraw/zinc/52/35/87/678523587.db2.gz KWKAVLHDSBSFTR-QWRGUYRKSA-N 1 1 323.353 -1.183 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483693 678523846 /nfs/dbraw/zinc/52/38/46/678523846.db2.gz HOESGWYFBIHMOW-WOPDTQHZSA-N 1 1 314.386 -2.698 20 0 DAADMO CN(C(=O)CN1CCNC(=O)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047484272 678524006 /nfs/dbraw/zinc/52/40/06/678524006.db2.gz OINAQZUWQLTAQM-RYUDHWBXSA-N 1 1 314.386 -2.696 20 0 DAADMO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047483623 678524130 /nfs/dbraw/zinc/52/41/30/678524130.db2.gz BSCLAKKPTGJOKS-NDBYEHHHSA-N 1 1 310.398 -1.527 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001047505702 678525958 /nfs/dbraw/zinc/52/59/58/678525958.db2.gz TUWFVANZWMWFQV-USWWRNFRSA-N 1 1 310.354 -1.078 20 0 DAADMO CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047505697 678526032 /nfs/dbraw/zinc/52/60/32/678526032.db2.gz SXAZIWKTJGEECE-WXHSDQCUSA-N 1 1 322.365 -1.077 20 0 DAADMO CN(C(=O)[C@H]1CCCc2nn[nH]c21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047505135 678526131 /nfs/dbraw/zinc/52/61/31/678526131.db2.gz ALNUBXYYRSHOMZ-DLOVCJGASA-N 1 1 309.370 -1.280 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047506319 678526140 /nfs/dbraw/zinc/52/61/40/678526140.db2.gz AVYKLNNPJJEGHB-SRVKXCTJSA-N 1 1 322.369 -1.932 20 0 DAADMO CN(C(=O)[C@@H]1CCCc2nn[nH]c21)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047505136 678526350 /nfs/dbraw/zinc/52/63/50/678526350.db2.gz ALNUBXYYRSHOMZ-USWWRNFRSA-N 1 1 309.370 -1.280 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001047508244 678527045 /nfs/dbraw/zinc/52/70/45/678527045.db2.gz WYZQOIXIVGMMFU-AVGNSLFASA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001047508244 678527048 /nfs/dbraw/zinc/52/70/48/678527048.db2.gz WYZQOIXIVGMMFU-AVGNSLFASA-N 1 1 319.365 -1.234 20 0 DAADMO CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047526766 678527944 /nfs/dbraw/zinc/52/79/44/678527944.db2.gz RVZMSZQGMVKMDI-FIQHERPVSA-N 1 1 317.361 -1.118 20 0 DAADMO CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047537185 678528273 /nfs/dbraw/zinc/52/82/73/678528273.db2.gz XGBNATHEGLKXRZ-WOPDTQHZSA-N 1 1 324.385 -1.879 20 0 DAADMO CN(C(=O)Cn1nnc2c1CCCC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047530036 678528377 /nfs/dbraw/zinc/52/83/77/678528377.db2.gz KBAVZQUGDPBNMX-KBPBESRZSA-N 1 1 323.397 -1.347 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001047549198 678528994 /nfs/dbraw/zinc/52/89/94/678528994.db2.gz TXWPSLXZPLYFAA-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccc2C)C1 ZINC001047549198 678528997 /nfs/dbraw/zinc/52/89/97/678528997.db2.gz TXWPSLXZPLYFAA-AVGNSLFASA-N 1 1 323.397 -1.041 20 0 DAADMO CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047548395 678529155 /nfs/dbraw/zinc/52/91/55/678529155.db2.gz BYWSOUJKITWSAM-SRVKXCTJSA-N 1 1 324.381 -1.112 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544922 678529233 /nfs/dbraw/zinc/52/92/33/678529233.db2.gz LDSQRDLZLKWSFB-DRZSPHRISA-N 1 1 323.397 -1.068 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047544922 678529235 /nfs/dbraw/zinc/52/92/35/678529235.db2.gz LDSQRDLZLKWSFB-DRZSPHRISA-N 1 1 323.397 -1.068 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047537327 678529306 /nfs/dbraw/zinc/52/93/06/678529306.db2.gz FUBCTQKQECQDET-RYUDHWBXSA-N 1 1 324.381 -1.540 20 0 DAADMO CCCN1C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001047544478 678529318 /nfs/dbraw/zinc/52/93/18/678529318.db2.gz BINPSPHELVCJIY-AGIUHOORSA-N 1 1 313.398 -1.259 20 0 DAADMO COc1cncc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)n1 ZINC001047553298 678529749 /nfs/dbraw/zinc/52/97/49/678529749.db2.gz YMWBCXOKUPSENM-DLOVCJGASA-N 1 1 310.354 -1.017 20 0 DAADMO CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001047549650 678530024 /nfs/dbraw/zinc/53/00/24/678530024.db2.gz ARKKSDAJMOQBOG-RYUDHWBXSA-N 1 1 324.381 -1.389 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047563723 678530278 /nfs/dbraw/zinc/53/02/78/678530278.db2.gz SUOHILDJDKMCLI-LSJOCFKGSA-N 1 1 313.354 -2.077 20 0 DAADMO CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047563063 678530728 /nfs/dbraw/zinc/53/07/28/678530728.db2.gz CMLAFASAPXACPA-RYUDHWBXSA-N 1 1 309.366 -1.047 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047568567 678530951 /nfs/dbraw/zinc/53/09/51/678530951.db2.gz JJLNEZGIVQZPOL-QWRGUYRKSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1nc[nH]n1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047568567 678530955 /nfs/dbraw/zinc/53/09/55/678530955.db2.gz JJLNEZGIVQZPOL-QWRGUYRKSA-N 1 1 305.342 -1.182 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047564628 678531194 /nfs/dbraw/zinc/53/11/94/678531194.db2.gz XFXIHFRAWGPDKA-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047564628 678531198 /nfs/dbraw/zinc/53/11/98/678531198.db2.gz XFXIHFRAWGPDKA-RYUDHWBXSA-N 1 1 320.357 -1.776 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567375 678531260 /nfs/dbraw/zinc/53/12/60/678531260.db2.gz GRWACOVBVZRGJQ-UWVGGRQHSA-N 1 1 314.342 -2.312 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001047576387 678532393 /nfs/dbraw/zinc/53/23/93/678532393.db2.gz INIQWAHXQRERBW-UWJYBYFXSA-N 1 1 310.354 -1.389 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001047576195 678532687 /nfs/dbraw/zinc/53/26/87/678532687.db2.gz AUQPWNRFDRZIFE-RYUDHWBXSA-N 1 1 310.354 -1.123 20 0 DAADMO CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047589545 678533511 /nfs/dbraw/zinc/53/35/11/678533511.db2.gz JXKGTJMCOKJAAU-YDHLFZDLSA-N 1 1 313.398 -1.259 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047590525 678533817 /nfs/dbraw/zinc/53/38/17/678533817.db2.gz FJPNRYPURMBISD-RYUDHWBXSA-N 1 1 319.369 -1.253 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047589062 678533885 /nfs/dbraw/zinc/53/38/85/678533885.db2.gz ZYUSRDUZOYDYPY-AVGNSLFASA-N 1 1 313.398 -1.259 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047592776 678534707 /nfs/dbraw/zinc/53/47/07/678534707.db2.gz HJQGECXMHMMRRJ-QWRGUYRKSA-N 1 1 320.357 -1.858 20 0 DAADMO CN(C(=O)Cc1nnc[nH]1)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047592776 678534709 /nfs/dbraw/zinc/53/47/09/678534709.db2.gz HJQGECXMHMMRRJ-QWRGUYRKSA-N 1 1 320.357 -1.858 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047603511 678535312 /nfs/dbraw/zinc/53/53/12/678535312.db2.gz RLUFMGPMJVMNJA-AVGNSLFASA-N 1 1 321.381 -1.335 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001047606241 678535414 /nfs/dbraw/zinc/53/54/14/678535414.db2.gz VMDKQNJVBYOSAS-STQMWFEESA-N 1 1 324.381 -1.562 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047603775 678535460 /nfs/dbraw/zinc/53/54/60/678535460.db2.gz YTQIKBCMYGDAJI-PYJNHQTQSA-N 1 1 313.398 -1.118 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001047605325 678535618 /nfs/dbraw/zinc/53/56/18/678535618.db2.gz GCUARYMYGFCIJM-RYUDHWBXSA-N 1 1 310.354 -1.952 20 0 DAADMO CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047602210 678535716 /nfs/dbraw/zinc/53/57/16/678535716.db2.gz APRQYZPEIQJXLW-CYDGBPFRSA-N 1 1 311.382 -1.195 20 0 DAADMO CN(C(=O)[C@H]1CCCC(=O)N1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047615309 678535976 /nfs/dbraw/zinc/53/59/76/678535976.db2.gz SJOPORASUOKGFR-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CNC(=O)c1cccc(C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001047615824 678536157 /nfs/dbraw/zinc/53/61/57/678536157.db2.gz YSTFIOHHKXMIKP-STQMWFEESA-N 1 1 322.365 -1.449 20 0 DAADMO CNC(=O)c1cccc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001047615824 678536160 /nfs/dbraw/zinc/53/61/60/678536160.db2.gz YSTFIOHHKXMIKP-STQMWFEESA-N 1 1 322.365 -1.449 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047617936 678536846 /nfs/dbraw/zinc/53/68/46/678536846.db2.gz HQYSOCMAKAEGIP-DLOVCJGASA-N 1 1 310.354 -1.722 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(=O)n(C)n2)C1 ZINC001047617937 678537141 /nfs/dbraw/zinc/53/71/41/678537141.db2.gz HQYSOCMAKAEGIP-USWWRNFRSA-N 1 1 310.354 -1.722 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619130 678537269 /nfs/dbraw/zinc/53/72/69/678537269.db2.gz CFPGVSPFWDHHHE-UWVGGRQHSA-N 1 1 314.342 -2.312 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccccc2=O)C1 ZINC001047623708 678537516 /nfs/dbraw/zinc/53/75/16/678537516.db2.gz ZFMIEBGHQJKXFJ-AVGNSLFASA-N 1 1 309.366 -1.267 20 0 DAADMO CN(C(=O)C1CCN(C(N)=O)CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047620605 678537649 /nfs/dbraw/zinc/53/76/49/678537649.db2.gz DNFCMGXAQIYRCD-RYUDHWBXSA-N 1 1 314.386 -1.727 20 0 DAADMO CCCn1nc(C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001047624401 678537972 /nfs/dbraw/zinc/53/79/72/678537972.db2.gz NCWXOCCGAUMQRN-STQMWFEESA-N 1 1 324.381 -1.237 20 0 DAADMO CCN1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047634218 678538519 /nfs/dbraw/zinc/53/85/19/678538519.db2.gz ZSBLIBOQMPESMS-IHRRRGAJSA-N 1 1 315.414 -1.407 20 0 DAADMO CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047631100 678538915 /nfs/dbraw/zinc/53/89/15/678538915.db2.gz IHPOTEFFLAYDFA-VWYCJHECSA-N 1 1 321.399 -2.436 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001047642114 678539256 /nfs/dbraw/zinc/53/92/56/678539256.db2.gz OJXSSUZEHJHHBE-NHCYSSNCSA-N 1 1 312.370 -1.778 20 0 DAADMO CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047644652 678539312 /nfs/dbraw/zinc/53/93/12/678539312.db2.gz MIIMRDDTXDKLAB-KBPBESRZSA-N 1 1 321.377 -1.176 20 0 DAADMO C[C@H](C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCCC1=O ZINC001047639452 678539445 /nfs/dbraw/zinc/53/94/45/678539445.db2.gz WFUMNYHCDUQART-AGIUHOORSA-N 1 1 313.398 -1.117 20 0 DAADMO CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047643614 678539452 /nfs/dbraw/zinc/53/94/52/678539452.db2.gz QJZROHYGFYGRKN-RDBSUJKOSA-N 1 1 313.398 -1.117 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001047645018 678539536 /nfs/dbraw/zinc/53/95/36/678539536.db2.gz AWMNEQMFSCUVDE-SRVKXCTJSA-N 1 1 314.386 -1.321 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001047641451 678539578 /nfs/dbraw/zinc/53/95/78/678539578.db2.gz ZFNZJZJXGYLRCX-JQWIXIFHSA-N 1 1 312.370 -1.513 20 0 DAADMO C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCOCC1 ZINC001047654428 678540705 /nfs/dbraw/zinc/54/07/05/678540705.db2.gz XRJBTUCLFZEQRX-IHRRRGAJSA-N 1 1 315.414 -1.407 20 0 DAADMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)N2CCOCC2)C1 ZINC001047652909 678541004 /nfs/dbraw/zinc/54/10/04/678541004.db2.gz CTEPIIWWXMHUOI-IHRRRGAJSA-N 1 1 315.414 -1.143 20 0 DAADMO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001047830642 678541428 /nfs/dbraw/zinc/54/14/28/678541428.db2.gz GEFVTJPXZNESEH-ZJUUUORDSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001047838427 678541433 /nfs/dbraw/zinc/54/14/33/678541433.db2.gz VQZNOVDIHUIUSU-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001047930410 678541799 /nfs/dbraw/zinc/54/17/99/678541799.db2.gz DKFJUNOHQOPTFI-DTWKUNHWSA-N 1 1 320.361 -1.626 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001047855096 678541930 /nfs/dbraw/zinc/54/19/30/678541930.db2.gz IHTCVOMKQXTHEE-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001047995360 678543364 /nfs/dbraw/zinc/54/33/64/678543364.db2.gz DQRWCYUJBGDSHQ-UWVGGRQHSA-N 1 1 319.373 -1.021 20 0 DAADMO COCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1O ZINC001048045548 678544401 /nfs/dbraw/zinc/54/44/01/678544401.db2.gz HLFJNJFWZFQVEJ-RYUDHWBXSA-N 1 1 310.354 -1.132 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048239274 678547880 /nfs/dbraw/zinc/54/78/80/678547880.db2.gz PKTOXNGVZRHIPX-ZJUUUORDSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048242635 678547899 /nfs/dbraw/zinc/54/78/99/678547899.db2.gz PAHLSSWIQMQORL-VHSXEESVSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048401548 678550350 /nfs/dbraw/zinc/55/03/50/678550350.db2.gz AVHGDJOXACSQTH-NXEZZACHSA-N 1 1 319.373 -1.164 20 0 DAADMO C[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001048441171 678551661 /nfs/dbraw/zinc/55/16/61/678551661.db2.gz IDRSWHGUDDTNBY-UWVGGRQHSA-N 1 1 319.373 -1.245 20 0 DAADMO NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001048559061 678552389 /nfs/dbraw/zinc/55/23/89/678552389.db2.gz QPXCQZKSPCPEKJ-VLEAKVRGSA-N 1 1 309.370 -1.488 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1nnn(C)n1)C2 ZINC001048553879 678552614 /nfs/dbraw/zinc/55/26/14/678552614.db2.gz VKWIHDOAORJIBH-JGPRNRPPSA-N 1 1 321.385 -1.071 20 0 DAADMO CN1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)NC1=O ZINC001048552666 678552641 /nfs/dbraw/zinc/55/26/41/678552641.db2.gz UOFFCPIOSDQBMR-WRWGMCAJSA-N 1 1 323.397 -1.146 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001048558168 678552737 /nfs/dbraw/zinc/55/27/37/678552737.db2.gz JIAVQBSTYWHZRX-ZIQFBCGOSA-N 1 1 323.397 -1.099 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001048607961 678554790 /nfs/dbraw/zinc/55/47/90/678554790.db2.gz CRQBVKAALUFZIG-DCAQKATOSA-N 1 1 312.370 -2.156 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048672080 678555903 /nfs/dbraw/zinc/55/59/03/678555903.db2.gz TUHHNHDNQVVVCV-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4cnnn4)C[C@H]3C2)n1 ZINC001048672080 678555906 /nfs/dbraw/zinc/55/59/06/678555906.db2.gz TUHHNHDNQVVVCV-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048672054 678555910 /nfs/dbraw/zinc/55/59/10/678555910.db2.gz RIQLKKMSTGYOHP-TXEJJXNPSA-N 1 1 317.357 -1.645 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C1 ZINC001048672032 678556040 /nfs/dbraw/zinc/55/60/40/678556040.db2.gz QSTYCULORCZCRR-PHIMTYICSA-N 1 1 317.357 -1.608 20 0 DAADMO O=C(CN1CCCC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048673921 678556119 /nfs/dbraw/zinc/55/61/19/678556119.db2.gz LFOUBRTUDSFIIA-XQQFMLRXSA-N 1 1 320.393 -1.113 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)C[C@H]2C1 ZINC001048713373 678556861 /nfs/dbraw/zinc/55/68/61/678556861.db2.gz UAYGZCHBXJSDJO-KXNHARMFSA-N 1 1 309.366 -1.068 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C1 ZINC001048721977 678557334 /nfs/dbraw/zinc/55/73/34/678557334.db2.gz WWAIFZLWFNICMG-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048732561 678558164 /nfs/dbraw/zinc/55/81/64/678558164.db2.gz FTGXTIJSGQTMRH-XQQFMLRXSA-N 1 1 321.381 -1.490 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC001048732707 678558198 /nfs/dbraw/zinc/55/81/98/678558198.db2.gz LRTCQLATISIZIL-TXEJJXNPSA-N 1 1 308.382 -1.126 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740311 678558500 /nfs/dbraw/zinc/55/85/00/678558500.db2.gz YSNQEEIGJZNOCE-RVMXOQNASA-N 1 1 310.398 -1.419 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739627 678558632 /nfs/dbraw/zinc/55/86/32/678558632.db2.gz MNBMJAIZMHKRJW-FQUUOJAGSA-N 1 1 324.425 -1.158 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739630 678559168 /nfs/dbraw/zinc/55/91/68/678559168.db2.gz MNBMJAIZMHKRJW-MQYQWHSLSA-N 1 1 324.425 -1.158 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC(=O)C3)C[C@H]2C1 ZINC001048762826 678559515 /nfs/dbraw/zinc/55/95/15/678559515.db2.gz MYPHUNCTXOBDOJ-WHOHXGKFSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@H]2C1 ZINC001048775989 678559609 /nfs/dbraw/zinc/55/96/09/678559609.db2.gz GIRCACOSDSVWCV-NDBYEHHHSA-N 1 1 310.398 -1.419 20 0 DAADMO CN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048777095 678559799 /nfs/dbraw/zinc/55/97/99/678559799.db2.gz LIVZPFKAORPUGG-RQJABVFESA-N 1 1 322.409 -1.404 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048778934 678560074 /nfs/dbraw/zinc/56/00/74/678560074.db2.gz LHFHGIGUXLUGJV-AOOOYVTPSA-N 1 1 319.325 -1.043 20 0 DAADMO O=C(CN1CN=NC1=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048778934 678560078 /nfs/dbraw/zinc/56/00/78/678560078.db2.gz LHFHGIGUXLUGJV-AOOOYVTPSA-N 1 1 319.325 -1.043 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CN=NC3=O)C[C@H]2C1 ZINC001048778547 678560121 /nfs/dbraw/zinc/56/01/21/678560121.db2.gz BMMLLZKUEKSYRC-PHIMTYICSA-N 1 1 322.369 -1.538 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)c3cnn(C)c3N)C[C@H]2C1 ZINC001048780058 678560376 /nfs/dbraw/zinc/56/03/76/678560376.db2.gz YPHAGPXMGCXPJX-BBBLOLIVSA-N 1 1 306.370 -1.120 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793261 678560571 /nfs/dbraw/zinc/56/05/71/678560571.db2.gz GZDAYUOMMIYCOZ-AXFHLTTASA-N 1 1 310.354 -1.427 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048796382 678560801 /nfs/dbraw/zinc/56/08/01/678560801.db2.gz NRPCIGXTMUENPZ-JFGNBEQYSA-N 1 1 320.353 -1.186 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@H]2C1 ZINC001048793604 678560906 /nfs/dbraw/zinc/56/09/06/678560906.db2.gz KGBPHWKBEGJZQU-LMLFDSFASA-N 1 1 310.354 -1.251 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048822144 678561518 /nfs/dbraw/zinc/56/15/18/678561518.db2.gz RMUSSHGBZVLVNQ-OUAUKWLOSA-N 1 1 305.342 -2.048 20 0 DAADMO Cn1cncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048821928 678561585 /nfs/dbraw/zinc/56/15/85/678561585.db2.gz JHBXKHZQAUEIAK-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)[nH]1 ZINC001048814211 678561719 /nfs/dbraw/zinc/56/17/19/678561719.db2.gz ZWKZXNCFNHECLV-INTQDDNPSA-N 1 1 306.370 -1.080 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)n1 ZINC001048828101 678562259 /nfs/dbraw/zinc/56/22/59/678562259.db2.gz QESHFLQBUNMECE-AOOOYVTPSA-N 1 1 308.342 -2.241 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833454 678562485 /nfs/dbraw/zinc/56/24/85/678562485.db2.gz ODGDADKOJXRSCC-RFQIPJPRSA-N 1 1 322.409 -1.275 20 0 DAADMO NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@H]2C1 ZINC001048833454 678562488 /nfs/dbraw/zinc/56/24/88/678562488.db2.gz ODGDADKOJXRSCC-RFQIPJPRSA-N 1 1 322.409 -1.275 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C1 ZINC001048822575 678562534 /nfs/dbraw/zinc/56/25/34/678562534.db2.gz MRIQLLCVTAWMAU-UTUOFQBUSA-N 1 1 321.385 -1.460 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]2C1 ZINC001048827852 678562653 /nfs/dbraw/zinc/56/26/53/678562653.db2.gz JGOBMHXTQDTKDH-GARJFASQSA-N 1 1 322.369 -1.852 20 0 DAADMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N1C(=O)CCC1=O ZINC001048848663 678563004 /nfs/dbraw/zinc/56/30/04/678563004.db2.gz RWEGTJPJXPSLGD-SDDRHHMPSA-N 1 1 309.366 -1.094 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848854 678563024 /nfs/dbraw/zinc/56/30/24/678563024.db2.gz WFSYIQPORCGGJS-UPJWGTAASA-N 1 1 322.409 -1.057 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842860 678563179 /nfs/dbraw/zinc/56/31/79/678563179.db2.gz KDWGVUNIMSBFLP-UTUOFQBUSA-N 1 1 306.370 -1.197 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048843036 678563247 /nfs/dbraw/zinc/56/32/47/678563247.db2.gz PWBSHWGATDWHIG-GRYCIOLGSA-N 1 1 304.354 -1.443 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048849553 678563312 /nfs/dbraw/zinc/56/33/12/678563312.db2.gz LJNWZESRQOTWMW-TXEJJXNPSA-N 1 1 317.411 -1.596 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C1 ZINC001048848070 678563457 /nfs/dbraw/zinc/56/34/57/678563457.db2.gz LDVCEXNXMJAJHC-LPWJVIDDSA-N 1 1 322.409 -1.011 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1=O ZINC001048848798 678563534 /nfs/dbraw/zinc/56/35/34/678563534.db2.gz UXMJXSJJUPBAAJ-FVCCEPFGSA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)Cn3nccn3)C[C@H]2C1 ZINC001048842708 678563566 /nfs/dbraw/zinc/56/35/66/678563566.db2.gz FUUHBSVYVBRJRP-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ncc(C[N@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)n1 ZINC001048842785 678563574 /nfs/dbraw/zinc/56/35/74/678563574.db2.gz JFFZERBBERUOTQ-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO Cn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)Cn4nccn4)C[C@H]3C2)n1 ZINC001048842785 678563579 /nfs/dbraw/zinc/56/35/79/678563579.db2.gz JFFZERBBERUOTQ-TXEJJXNPSA-N 1 1 316.369 -1.003 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048860981 678563790 /nfs/dbraw/zinc/56/37/90/678563790.db2.gz HASXGKWTVVHHNR-FVCCEPFGSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C(C[C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048860984 678563833 /nfs/dbraw/zinc/56/38/33/678563833.db2.gz HASXGKWTVVHHNR-WUHRBBMRSA-N 1 1 320.393 -1.209 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]2C1 ZINC001048865576 678563863 /nfs/dbraw/zinc/56/38/63/678563863.db2.gz HRRHXUDPQCIGTD-BETUJISGSA-N 1 1 311.382 -1.118 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048868627 678563911 /nfs/dbraw/zinc/56/39/11/678563911.db2.gz GIHRGOJQDGEWBK-ZNSHCXBVSA-N 1 1 310.354 -1.645 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048860982 678563986 /nfs/dbraw/zinc/56/39/86/678563986.db2.gz HASXGKWTVVHHNR-NDBYEHHHSA-N 1 1 320.393 -1.209 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048859928 678564077 /nfs/dbraw/zinc/56/40/77/678564077.db2.gz AAXYRNDBVGPESM-UTUOFQBUSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048868626 678564089 /nfs/dbraw/zinc/56/40/89/678564089.db2.gz GIHRGOJQDGEWBK-MMWGEVLESA-N 1 1 310.354 -1.645 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048859927 678564122 /nfs/dbraw/zinc/56/41/22/678564122.db2.gz AAXYRNDBVGPESM-SDDRHHMPSA-N 1 1 308.382 -1.351 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001048868723 678564287 /nfs/dbraw/zinc/56/42/87/678564287.db2.gz KNVJJGIYZSQLHW-YIZRAAEISA-N 1 1 309.326 -2.540 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048878384 678564658 /nfs/dbraw/zinc/56/46/58/678564658.db2.gz JNWJFHRHCWHFPN-XQHKEYJVSA-N 1 1 320.393 -1.209 20 0 DAADMO CC[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCNC1=O ZINC001048870925 678564756 /nfs/dbraw/zinc/56/47/56/678564756.db2.gz FJDGSMKCWXJWJM-RWSFTLGLSA-N 1 1 308.382 -1.222 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2C1 ZINC001048884116 678564768 /nfs/dbraw/zinc/56/47/68/678564768.db2.gz ZRSMYLGCTSYGEE-AOOOYVTPSA-N 1 1 305.338 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2C1 ZINC001048879002 678564788 /nfs/dbraw/zinc/56/47/88/678564788.db2.gz UTUUUZSBZJRJAM-TUAOUCFPSA-N 1 1 308.382 -1.351 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@H]2C1 ZINC001048875102 678564833 /nfs/dbraw/zinc/56/48/33/678564833.db2.gz JRSDAIYYZSBCHL-PHIMTYICSA-N 1 1 310.398 -1.024 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001048878752 678564915 /nfs/dbraw/zinc/56/49/15/678564915.db2.gz RILTYBDLEMTMLW-WISYIIOYSA-N 1 1 308.382 -1.223 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048879701 678565011 /nfs/dbraw/zinc/56/50/11/678565011.db2.gz VCWXTOXROWBHAW-UPJWGTAASA-N 1 1 322.409 -1.009 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)NC3)C[C@H]2C1 ZINC001048912994 678565289 /nfs/dbraw/zinc/56/52/89/678565289.db2.gz TYERGJJWTZRKEL-KKOKHZNYSA-N 1 1 308.382 -1.223 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048911036 678565518 /nfs/dbraw/zinc/56/55/18/678565518.db2.gz SBZDAFUUUGSECL-FQUUOJAGSA-N 1 1 324.425 -1.029 20 0 DAADMO O=C([C@@H]1CCC2N=NC(=O)N2C1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048898619 678565717 /nfs/dbraw/zinc/56/57/17/678565717.db2.gz FUQLPJSTPPOFQV-UTUOFQBUSA-N 1 1 321.381 -1.071 20 0 DAADMO C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)O1 ZINC001048890662 678565728 /nfs/dbraw/zinc/56/57/28/678565728.db2.gz JZZNVRTYRMXNBG-FVCCEPFGSA-N 1 1 310.398 -1.419 20 0 DAADMO CN1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1=O ZINC001048906940 678565749 /nfs/dbraw/zinc/56/57/49/678565749.db2.gz KPWFILDWTVDPEA-BETUJISGSA-N 1 1 310.398 -1.857 20 0 DAADMO C[C@H]1C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC(=O)N1 ZINC001048911601 678565769 /nfs/dbraw/zinc/56/57/69/678565769.db2.gz LRJFPMHULYFVNU-FIQHERPVSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CC(=O)N1 ZINC001048911602 678565873 /nfs/dbraw/zinc/56/58/73/678565873.db2.gz LRJFPMHULYFVNU-KKOKHZNYSA-N 1 1 308.382 -1.223 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccnc4n[nH]nc43)C[C@H]2C1 ZINC001048931571 678566207 /nfs/dbraw/zinc/56/62/07/678566207.db2.gz LXDHRYQZPODAHU-DTORHVGOSA-N 1 1 315.337 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@H]2C1 ZINC001048924414 678566589 /nfs/dbraw/zinc/56/65/89/678566589.db2.gz BWYYNZAKKZMYLS-UTUOFQBUSA-N 1 1 323.397 -1.347 20 0 DAADMO Cn1cnn(CCC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c1=O ZINC001048957008 678567156 /nfs/dbraw/zinc/56/71/56/678567156.db2.gz DVIDKBIZHIFOOJ-TXEJJXNPSA-N 1 1 309.370 -1.646 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CNC(=O)C3)C[C@H]2C1 ZINC001048956229 678567167 /nfs/dbraw/zinc/56/71/67/678567167.db2.gz RREXIIBVJFUAHI-RWSFTLGLSA-N 1 1 308.382 -1.351 20 0 DAADMO CO[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)[C@H]1CCOC1 ZINC001048960121 678567228 /nfs/dbraw/zinc/56/72/28/678567228.db2.gz SOMGNNYPRWLQKE-CIQGVGRVSA-N 1 1 311.382 -1.087 20 0 DAADMO CCn1cc(CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)nn1 ZINC001048952059 678567290 /nfs/dbraw/zinc/56/72/90/678567290.db2.gz BHJWTKHPFTTYBO-TXEJJXNPSA-N 1 1 320.397 -1.023 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@H]2C1 ZINC001048943786 678567338 /nfs/dbraw/zinc/56/73/38/678567338.db2.gz GPZCNGMLYXVRQZ-PHIMTYICSA-N 1 1 319.365 -1.470 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001048972968 678567646 /nfs/dbraw/zinc/56/76/46/678567646.db2.gz FUWJPJHELINYOM-RYUDHWBXSA-N 1 1 324.385 -1.211 20 0 DAADMO CN1C(=O)CC[C@H]1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048973973 678567704 /nfs/dbraw/zinc/56/77/04/678567704.db2.gz HUQMGPZCMJUGOY-TUAOUCFPSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048977673 678567797 /nfs/dbraw/zinc/56/77/97/678567797.db2.gz IAAGICXEHLPQIO-WRWGMCAJSA-N 1 1 306.366 -1.599 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048977722 678567834 /nfs/dbraw/zinc/56/78/34/678567834.db2.gz JUYALOXMDXJUNR-QNWHQSFQSA-N 1 1 320.393 -1.209 20 0 DAADMO O=C([C@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048977672 678567907 /nfs/dbraw/zinc/56/79/07/678567907.db2.gz IAAGICXEHLPQIO-WHOHXGKFSA-N 1 1 306.366 -1.599 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048978576 678568324 /nfs/dbraw/zinc/56/83/24/678568324.db2.gz BSEQMFWWDJFNNQ-FRRDWIJNSA-N 1 1 318.381 -1.196 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@H]2C1 ZINC001048981885 678568422 /nfs/dbraw/zinc/56/84/22/678568422.db2.gz ZYNLYLHVMKXZIV-YFKTTZPYSA-N 1 1 308.382 -1.353 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]3C(N)=O)C[C@H]2C1 ZINC001048978422 678568534 /nfs/dbraw/zinc/56/85/34/678568534.db2.gz ANIJJOQWBBLBFY-USZNOCQGSA-N 1 1 308.382 -1.366 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048977725 678568571 /nfs/dbraw/zinc/56/85/71/678568571.db2.gz JUYALOXMDXJUNR-YVECIDJPSA-N 1 1 320.393 -1.209 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)NC1=O ZINC001048979574 678568584 /nfs/dbraw/zinc/56/85/84/678568584.db2.gz XBCIKTFYJBRBMG-KXNHARMFSA-N 1 1 321.381 -1.711 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2C1 ZINC001048978269 678568650 /nfs/dbraw/zinc/56/86/50/678568650.db2.gz BAEQYLKXRILDTP-UKKRHICBSA-N 1 1 309.370 -1.726 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048978092 678568726 /nfs/dbraw/zinc/56/87/26/678568726.db2.gz VBQYNDGPTRDFRZ-NTZNESFSSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)nn1 ZINC001048977911 678568751 /nfs/dbraw/zinc/56/87/51/678568751.db2.gz PTVATOMRBLGTTD-LOWVWBTDSA-N 1 1 318.381 -1.159 20 0 DAADMO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)nn1 ZINC001048977911 678568752 /nfs/dbraw/zinc/56/87/52/678568752.db2.gz PTVATOMRBLGTTD-LOWVWBTDSA-N 1 1 318.381 -1.159 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@H]2C1 ZINC001048979750 678568787 /nfs/dbraw/zinc/56/87/87/678568787.db2.gz IZFGQKKZMGFRNY-KXNHARMFSA-N 1 1 308.382 -1.223 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@H]3C2)C1=O ZINC001048981774 678568817 /nfs/dbraw/zinc/56/88/17/678568817.db2.gz YGGONHGJPPCKGX-QNWHQSFQSA-N 1 1 320.393 -1.257 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C[C@H]2C1 ZINC001048980115 678568848 /nfs/dbraw/zinc/56/88/48/678568848.db2.gz MQFWVMJTFKCFDX-YVECIDJPSA-N 1 1 322.409 -1.024 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@H]3C2)C1=O ZINC001048981777 678568889 /nfs/dbraw/zinc/56/88/89/678568889.db2.gz YGGONHGJPPCKGX-YVECIDJPSA-N 1 1 320.393 -1.257 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)C[C@@H]3C2)n1 ZINC001048991451 678569395 /nfs/dbraw/zinc/56/93/95/678569395.db2.gz XBRGCTZHYHWNDT-AOOOYVTPSA-N 1 1 317.357 -1.457 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4C)C[C@@H]3C2)n1 ZINC001048991451 678569400 /nfs/dbraw/zinc/56/94/00/678569400.db2.gz XBRGCTZHYHWNDT-AOOOYVTPSA-N 1 1 317.357 -1.457 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCN(C)C3=O)C[C@H]2C1 ZINC001048992149 678569433 /nfs/dbraw/zinc/56/94/33/678569433.db2.gz DKKVRVKSSSSBEE-WUHRBBMRSA-N 1 1 322.409 -1.011 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)n1 ZINC001048991340 678569570 /nfs/dbraw/zinc/56/95/70/678569570.db2.gz RBMXAEPOHUJAPO-PHIMTYICSA-N 1 1 317.357 -1.494 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCC4)C[C@@H]3C2)n1 ZINC001048990876 678569756 /nfs/dbraw/zinc/56/97/56/678569756.db2.gz BAZGDSCZYBNZEB-PHIMTYICSA-N 1 1 319.369 -1.554 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049018552 678570115 /nfs/dbraw/zinc/57/01/15/678570115.db2.gz GJAFSOZAFSGYLZ-LMLFDSFASA-N 1 1 307.354 -2.054 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049018217 678570244 /nfs/dbraw/zinc/57/02/44/678570244.db2.gz BPJHEWZLOKYANH-WCABBAIRSA-N 1 1 306.326 -1.359 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001049018217 678570246 /nfs/dbraw/zinc/57/02/46/678570246.db2.gz BPJHEWZLOKYANH-WCABBAIRSA-N 1 1 306.326 -1.359 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049018661 678570298 /nfs/dbraw/zinc/57/02/98/678570298.db2.gz GUJOJKWVVBWSMX-GRYCIOLGSA-N 1 1 319.369 -1.650 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019633 678570341 /nfs/dbraw/zinc/57/03/41/678570341.db2.gz UFAZLSQKEPUMLA-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019633 678570345 /nfs/dbraw/zinc/57/03/45/678570345.db2.gz UFAZLSQKEPUMLA-AXFHLTTASA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nonc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019634 678570449 /nfs/dbraw/zinc/57/04/49/678570449.db2.gz UFAZLSQKEPUMLA-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nonc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049019634 678570450 /nfs/dbraw/zinc/57/04/50/678570450.db2.gz UFAZLSQKEPUMLA-OUAUKWLOSA-N 1 1 320.353 -1.050 20 0 DAADMO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048999566 678570452 /nfs/dbraw/zinc/57/04/52/678570452.db2.gz VXTYEOYAAIGROA-AOOOYVTPSA-N 1 1 305.338 -1.020 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049018997 678570827 /nfs/dbraw/zinc/57/08/27/678570827.db2.gz NLOXJEAXOYQMFI-YTWAJWBKSA-N 1 1 309.370 -1.678 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049018555 678570892 /nfs/dbraw/zinc/57/08/92/678570892.db2.gz GJAFSOZAFSGYLZ-ZRUFSTJUSA-N 1 1 307.354 -2.054 20 0 DAADMO COc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049022971 678571176 /nfs/dbraw/zinc/57/11/76/678571176.db2.gz IUBOBAZEBWXTGQ-AOOOYVTPSA-N 1 1 305.338 -1.139 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]2C1 ZINC001049020067 678571561 /nfs/dbraw/zinc/57/15/61/678571561.db2.gz XAOYJPPICQTZGR-ZNSHCXBVSA-N 1 1 309.370 -1.808 20 0 DAADMO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021798 678571718 /nfs/dbraw/zinc/57/17/18/678571718.db2.gz FQXOKMODGVSFHK-BBBLOLIVSA-N 1 1 319.369 -1.056 20 0 DAADMO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1 ZINC001049021798 678571721 /nfs/dbraw/zinc/57/17/21/678571721.db2.gz FQXOKMODGVSFHK-BBBLOLIVSA-N 1 1 319.369 -1.056 20 0 DAADMO CCn1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049023182 678572176 /nfs/dbraw/zinc/57/21/76/678572176.db2.gz OWMDFYKGXMNFIU-PHIMTYICSA-N 1 1 306.370 -1.018 20 0 DAADMO CCn1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)n1 ZINC001049023182 678572179 /nfs/dbraw/zinc/57/21/79/678572179.db2.gz OWMDFYKGXMNFIU-PHIMTYICSA-N 1 1 306.370 -1.018 20 0 DAADMO CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C(N)=O)C[C@H]3C2)C1=O ZINC001049023505 678572518 /nfs/dbraw/zinc/57/25/18/678572518.db2.gz XRVDXOWGTPNWBR-TUAOUCFPSA-N 1 1 308.382 -1.129 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1 ZINC001049060647 678572838 /nfs/dbraw/zinc/57/28/38/678572838.db2.gz JOGGIJPENVKBCG-DNIRFERGSA-N 1 1 318.381 -1.173 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049054343 678573004 /nfs/dbraw/zinc/57/30/04/678573004.db2.gz NOOAPRRPTVASPT-JRPNMDOOSA-N 1 1 308.382 -1.351 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@]3(C)CCNC3=O)C[C@H]2C1 ZINC001049056020 678573020 /nfs/dbraw/zinc/57/30/20/678573020.db2.gz KHQDDBNMYKXICB-YYHMBLRTSA-N 1 1 308.382 -1.223 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 ZINC001049054365 678573030 /nfs/dbraw/zinc/57/30/30/678573030.db2.gz NVFIRGQVXNMHEF-LDMBFOFVSA-N 1 1 324.381 -1.717 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]2C1 ZINC001049063438 678573653 /nfs/dbraw/zinc/57/36/53/678573653.db2.gz UTSMRXXNERNIOD-AOOOYVTPSA-N 1 1 319.365 -1.137 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)C1=O ZINC001049063405 678573696 /nfs/dbraw/zinc/57/36/96/678573696.db2.gz SNNORKQIMLKUFM-FHUSYTEZSA-N 1 1 320.393 -1.271 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@H]2C1 ZINC001049084503 678573736 /nfs/dbraw/zinc/57/37/36/678573736.db2.gz OHAQWHQWOGVELA-YIZRAAEISA-N 1 1 309.326 -2.540 20 0 DAADMO Cn1ncc(CCC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001049064114 678573807 /nfs/dbraw/zinc/57/38/07/678573807.db2.gz UGVVYNXGMVDGBX-PHIMTYICSA-N 1 1 306.370 -1.377 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1O ZINC001049145695 678574872 /nfs/dbraw/zinc/57/48/72/678574872.db2.gz YZAWZHUUASBNFC-RYUDHWBXSA-N 1 1 324.385 -1.210 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049128848 678574887 /nfs/dbraw/zinc/57/48/87/678574887.db2.gz LPALUGFCZCVAHN-GARJFASQSA-N 1 1 307.358 -1.673 20 0 DAADMO O=C(c1cnon1)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049123405 678575168 /nfs/dbraw/zinc/57/51/68/678575168.db2.gz DAVZNMPVVAIYTJ-WCABBAIRSA-N 1 1 319.321 -1.121 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]2C1 ZINC001049135627 678575199 /nfs/dbraw/zinc/57/51/99/678575199.db2.gz VYRWELOERNJJHR-PHIMTYICSA-N 1 1 319.365 -1.137 20 0 DAADMO Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049156207 678575297 /nfs/dbraw/zinc/57/52/97/678575297.db2.gz HYVBSEXMLBVNKJ-QWRGUYRKSA-N 1 1 324.385 -1.291 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]2C1 ZINC001049132744 678575372 /nfs/dbraw/zinc/57/53/72/678575372.db2.gz YCJCMZVOJJBKFV-GRYCIOLGSA-N 1 1 321.385 -1.283 20 0 DAADMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049122776 678575423 /nfs/dbraw/zinc/57/54/23/678575423.db2.gz IVJQQNWDHLCUSG-KXUCPTDWSA-N 1 1 318.337 -1.386 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C1 ZINC001049162968 678575660 /nfs/dbraw/zinc/57/56/60/678575660.db2.gz KSMBPXIIJYRTTK-MXWKQRLJSA-N 1 1 306.370 -1.128 20 0 DAADMO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]3C2)C1=O ZINC001049163557 678575863 /nfs/dbraw/zinc/57/58/63/678575863.db2.gz RLHAFXCVJFQUES-TUAOUCFPSA-N 1 1 318.381 -1.032 20 0 DAADMO CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4nnc[nH]4)C[C@H]3C2)C1=O ZINC001049163554 678575937 /nfs/dbraw/zinc/57/59/37/678575937.db2.gz RLHAFXCVJFQUES-GRYCIOLGSA-N 1 1 318.381 -1.032 20 0 DAADMO O=C(Cc1nnc[nH]1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049162923 678575975 /nfs/dbraw/zinc/57/59/75/678575975.db2.gz IZWBFVDQTTZZIN-OUAUKWLOSA-N 1 1 304.354 -1.374 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(N)=O)C[C@H]2C1 ZINC001049164901 678576044 /nfs/dbraw/zinc/57/60/44/678576044.db2.gz CKNJAAWUEGYZHP-TUAOUCFPSA-N 1 1 323.397 -1.205 20 0 DAADMO CC(=O)N1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049193451 678576493 /nfs/dbraw/zinc/57/64/93/678576493.db2.gz AVRXBSWAAHRFOR-RWMBFGLXSA-N 1 1 308.382 -1.270 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1)NC1CC1 ZINC001049179687 678576529 /nfs/dbraw/zinc/57/65/29/678576529.db2.gz IACVJPCUEDJQRU-LOWVWBTDSA-N 1 1 320.393 -1.066 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC001049168674 678576570 /nfs/dbraw/zinc/57/65/70/678576570.db2.gz JOHTZFHHTGIFPB-TXEJJXNPSA-N 1 1 324.381 -1.083 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001049195625 678576603 /nfs/dbraw/zinc/57/66/03/678576603.db2.gz LDVGSCGOAIDFEZ-MJBXVCDLSA-N 1 1 311.382 -1.384 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]2C1 ZINC001049170012 678576637 /nfs/dbraw/zinc/57/66/37/678576637.db2.gz ZIVWZTKHFHPUBK-UTUOFQBUSA-N 1 1 324.381 -1.349 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049180207 678576710 /nfs/dbraw/zinc/57/67/10/678576710.db2.gz QPDDNHDRUBWVGK-USZNOCQGSA-N 1 1 306.366 -1.456 20 0 DAADMO Cn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001049180912 678576742 /nfs/dbraw/zinc/57/67/42/678576742.db2.gz YQFDKMNJQHFIRY-LOWVWBTDSA-N 1 1 318.381 -1.016 20 0 DAADMO O=C(c1cc(=O)n2[nH]cnc2n1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049170169 678576785 /nfs/dbraw/zinc/57/67/85/678576785.db2.gz GSFXUFMXFMWXQL-AOOOYVTPSA-N 1 1 318.337 -1.586 20 0 DAADMO COCC[N@@H+]1C[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]2C1 ZINC001049197666 678577246 /nfs/dbraw/zinc/57/72/46/678577246.db2.gz MYQKTFMLVZCSJQ-BETUJISGSA-N 1 1 323.397 -1.073 20 0 DAADMO Cc1nn(CC(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3C2)c(=O)n1C ZINC001049196830 678577255 /nfs/dbraw/zinc/57/72/55/678577255.db2.gz BFGUCPDTPVUBTG-RTXFEEFZSA-N 1 1 323.397 -1.339 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001049206470 678577729 /nfs/dbraw/zinc/57/77/29/678577729.db2.gz CLOHPTZWFABIKV-PHIMTYICSA-N 1 1 322.365 -1.728 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206806 678577889 /nfs/dbraw/zinc/57/78/89/678577889.db2.gz HZQSYZNFIZBLTH-WISYIIOYSA-N 1 1 324.381 -1.254 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049211774 678577964 /nfs/dbraw/zinc/57/79/64/678577964.db2.gz FZYPHPKGKAJMMJ-MXWKQRLJSA-N 1 1 322.365 -1.130 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)NC3=O)C[C@H]2C1 ZINC001049206430 678578088 /nfs/dbraw/zinc/57/80/88/678578088.db2.gz AMVNEPNRQLHXSE-AEJSXWLSSA-N 1 1 323.353 -2.150 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205417 678578117 /nfs/dbraw/zinc/57/81/17/678578117.db2.gz KWEFPLULLIKJSY-SDDRHHMPSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 ZINC001049205327 678578190 /nfs/dbraw/zinc/57/81/90/678578190.db2.gz IDWMJBNJODZVNM-LPEHRKFASA-N 1 1 323.353 -2.198 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1=O ZINC001049205660 678578310 /nfs/dbraw/zinc/57/83/10/678578310.db2.gz XLOJYJRGJBTDDO-TXEJJXNPSA-N 1 1 324.381 -1.347 20 0 DAADMO CN1CC(=O)N(CC(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1=O ZINC001049205393 678578314 /nfs/dbraw/zinc/57/83/14/678578314.db2.gz JXOVVUIBVQHQOY-PHIMTYICSA-N 1 1 310.354 -1.737 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@H]2C1 ZINC001049211773 678578331 /nfs/dbraw/zinc/57/83/31/678578331.db2.gz FZYPHPKGKAJMMJ-GARJFASQSA-N 1 1 322.365 -1.130 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]2C1 ZINC001049217385 678578477 /nfs/dbraw/zinc/57/84/77/678578477.db2.gz QIHJVYBTQXDZIW-PHIMTYICSA-N 1 1 319.365 -1.137 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC001049232715 678578547 /nfs/dbraw/zinc/57/85/47/678578547.db2.gz CQHUVQGJKOZUCX-DTORHVGOSA-N 1 1 321.341 -2.748 20 0 DAADMO CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222663 678578700 /nfs/dbraw/zinc/57/87/00/678578700.db2.gz PWEBGIGYLUIKFZ-IGQOVBAYSA-N 1 1 324.425 -1.029 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C1 ZINC001049221365 678578729 /nfs/dbraw/zinc/57/87/29/678578729.db2.gz XLQIKBIXNFFQES-KXUCPTDWSA-N 1 1 316.383 -2.446 20 0 DAADMO O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049221066 678578766 /nfs/dbraw/zinc/57/87/66/678578766.db2.gz RQNBHJCRRJCTKJ-AXFHLTTASA-N 1 1 303.384 -1.939 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nncn4C3)C[C@H]2C1 ZINC001049232544 678578841 /nfs/dbraw/zinc/57/88/41/678578841.db2.gz WBZBDCYLOBFOJV-SDDRHHMPSA-N 1 1 318.381 -1.284 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049223759 678578855 /nfs/dbraw/zinc/57/88/55/678578855.db2.gz WKYOSGGTDXSZNP-FRRDWIJNSA-N 1 1 324.381 -1.891 20 0 DAADMO CCN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@H]3C2)C1 ZINC001049222664 678579033 /nfs/dbraw/zinc/57/90/33/678579033.db2.gz PWEBGIGYLUIKFZ-MQYQWHSLSA-N 1 1 324.425 -1.029 20 0 DAADMO Cn1cc(CCC(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)nn1 ZINC001049253300 678579470 /nfs/dbraw/zinc/57/94/70/678579470.db2.gz XDBUXDQWNDCUGC-PHIMTYICSA-N 1 1 306.370 -1.377 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254956 678579481 /nfs/dbraw/zinc/57/94/81/678579481.db2.gz SFSTYGARNIREHQ-ZRUFSTJUSA-N 1 1 322.365 -1.697 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 ZINC001049250600 678579511 /nfs/dbraw/zinc/57/95/11/678579511.db2.gz SPXMAGGAKOZLAD-AXFHLTTASA-N 1 1 309.370 -1.595 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049254142 678579613 /nfs/dbraw/zinc/57/96/13/678579613.db2.gz IGNUGRCOLPBNFO-BBBLOLIVSA-N 1 1 308.338 -2.085 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@H]2C1 ZINC001049250246 678579652 /nfs/dbraw/zinc/57/96/52/678579652.db2.gz CLJQPTUVOZJHTF-YFKTTZPYSA-N 1 1 323.397 -1.207 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cnnn1 ZINC001049312497 678579662 /nfs/dbraw/zinc/57/96/62/678579662.db2.gz DZOAALZZTQFOPG-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@H]2C1 ZINC001049253833 678579692 /nfs/dbraw/zinc/57/96/92/678579692.db2.gz BOHDKYZYCIVNAH-KXNHARMFSA-N 1 1 309.366 -1.190 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049255404 678579812 /nfs/dbraw/zinc/57/98/12/678579812.db2.gz XIKZRGZTYLUYIG-UTUOFQBUSA-N 1 1 309.366 -1.188 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049391036 678581611 /nfs/dbraw/zinc/58/16/11/678581611.db2.gz GASBVZGYSZDRQR-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049391036 678581615 /nfs/dbraw/zinc/58/16/15/678581615.db2.gz GASBVZGYSZDRQR-AGIUHOORSA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)C1 ZINC001049391038 678581761 /nfs/dbraw/zinc/58/17/61/678581761.db2.gz GASBVZGYSZDRQR-UPJWGTAASA-N 1 1 310.398 -1.132 20 0 DAADMO CN1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)C1 ZINC001049391038 678581765 /nfs/dbraw/zinc/58/17/65/678581765.db2.gz GASBVZGYSZDRQR-UPJWGTAASA-N 1 1 310.398 -1.132 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1ncnn1 ZINC001049468806 678582458 /nfs/dbraw/zinc/58/24/58/678582458.db2.gz JBFYSJSOUDGMSU-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CN1CN=NC1=O ZINC001049430043 678582591 /nfs/dbraw/zinc/58/25/91/678582591.db2.gz YZHUISRYWVLZEW-WDEREUQCSA-N 1 1 322.369 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527872 678582978 /nfs/dbraw/zinc/58/29/78/678582978.db2.gz WGTQUZLMYFRPKZ-AEJSXWLSSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1NC(=O)NC1=O ZINC001049527872 678582980 /nfs/dbraw/zinc/58/29/80/678582980.db2.gz WGTQUZLMYFRPKZ-AEJSXWLSSA-N 1 1 323.353 -1.865 20 0 DAADMO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1O ZINC001049543292 678583138 /nfs/dbraw/zinc/58/31/38/678583138.db2.gz XJGODJGOPDVESN-QWRGUYRKSA-N 1 1 324.385 -1.210 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049527015 678583215 /nfs/dbraw/zinc/58/32/15/678583215.db2.gz KQKCUFTWVHLEHL-DCAQKATOSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568344 678583890 /nfs/dbraw/zinc/58/38/90/678583890.db2.gz SZFYOJCYPBUSOO-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCCNC1=O ZINC001049568344 678583891 /nfs/dbraw/zinc/58/38/91/678583891.db2.gz SZFYOJCYPBUSOO-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)c1=O ZINC001049560208 678583957 /nfs/dbraw/zinc/58/39/57/678583957.db2.gz BRIIXIMRCUEWEJ-WDEREUQCSA-N 1 1 322.369 -1.868 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)c1=O ZINC001049560208 678583961 /nfs/dbraw/zinc/58/39/61/678583961.db2.gz BRIIXIMRCUEWEJ-WDEREUQCSA-N 1 1 322.369 -1.868 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049634035 678584376 /nfs/dbraw/zinc/58/43/76/678584376.db2.gz CGZHONJJHCQIRJ-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C(=O)N1 ZINC001049634035 678584379 /nfs/dbraw/zinc/58/43/79/678584379.db2.gz CGZHONJJHCQIRJ-GRYCIOLGSA-N 1 1 323.397 -1.179 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640416 678584490 /nfs/dbraw/zinc/58/44/90/678584490.db2.gz VKDBTJZWEQCFQK-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN1CCNC(=O)C1 ZINC001049640416 678584492 /nfs/dbraw/zinc/58/44/92/678584492.db2.gz VKDBTJZWEQCFQK-NEPJUHHUSA-N 1 1 323.397 -2.031 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652948 678584552 /nfs/dbraw/zinc/58/45/52/678584552.db2.gz YZQKXXQKSGQGQU-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1nnn(C)n1 ZINC001049652948 678584553 /nfs/dbraw/zinc/58/45/53/678584553.db2.gz YZQKXXQKSGQGQU-ZJUUUORDSA-N 1 1 307.358 -1.365 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049634037 678584567 /nfs/dbraw/zinc/58/45/67/678584567.db2.gz CGZHONJJHCQIRJ-QJPTWQEYSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001049634037 678584570 /nfs/dbraw/zinc/58/45/70/678584570.db2.gz CGZHONJJHCQIRJ-QJPTWQEYSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049638884 678584607 /nfs/dbraw/zinc/58/46/07/678584607.db2.gz MZICFYRBQRVNRP-CHWSQXEVSA-N 1 1 310.398 -1.524 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049681420 678584933 /nfs/dbraw/zinc/58/49/33/678584933.db2.gz OELKODSJTBEUDN-SDDRHHMPSA-N 1 1 323.397 -1.179 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049719999 678585033 /nfs/dbraw/zinc/58/50/33/678585033.db2.gz QHCZSZPSUPQNAE-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049719999 678585037 /nfs/dbraw/zinc/58/50/37/678585037.db2.gz QHCZSZPSUPQNAE-KXNHARMFSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049682970 678585055 /nfs/dbraw/zinc/58/50/55/678585055.db2.gz YSSQFCZNGWGGGB-HBNTYKKESA-N 1 1 309.370 -1.521 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CNC(=O)N1 ZINC001049682970 678585059 /nfs/dbraw/zinc/58/50/59/678585059.db2.gz YSSQFCZNGWGGGB-HBNTYKKESA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC001049682041 678585118 /nfs/dbraw/zinc/58/51/18/678585118.db2.gz CPULWGWBAPZHMH-ZJUUUORDSA-N 1 1 323.353 -1.911 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720005 678585248 /nfs/dbraw/zinc/58/52/48/678585248.db2.gz QHCZSZPSUPQNAE-WRWGMCAJSA-N 1 1 308.382 -1.081 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]1C(N)=O ZINC001049720005 678585252 /nfs/dbraw/zinc/58/52/52/678585252.db2.gz QHCZSZPSUPQNAE-WRWGMCAJSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001049687574 678585258 /nfs/dbraw/zinc/58/52/58/678585258.db2.gz LXFMKXBKJGNSNR-JHJVBQTASA-N 1 1 321.381 -1.205 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721847 678585278 /nfs/dbraw/zinc/58/52/78/678585278.db2.gz GGOUQIFACUVCFU-WHOHXGKFSA-N 1 1 324.381 -1.430 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001049721847 678585282 /nfs/dbraw/zinc/58/52/82/678585282.db2.gz GGOUQIFACUVCFU-WHOHXGKFSA-N 1 1 324.381 -1.430 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049754904 678585300 /nfs/dbraw/zinc/58/53/00/678585300.db2.gz OQVBNHMQANAFIB-GARJFASQSA-N 1 1 310.354 -1.358 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756215 678585406 /nfs/dbraw/zinc/58/54/06/678585406.db2.gz UMHSACFTWKNCHY-LPEHRKFASA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001049756215 678585409 /nfs/dbraw/zinc/58/54/09/678585409.db2.gz UMHSACFTWKNCHY-LPEHRKFASA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782577 678585467 /nfs/dbraw/zinc/58/54/67/678585467.db2.gz LGRMQHHFVIYKMT-GHMZBOCLSA-N 1 1 322.365 -1.410 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(=O)NC(=O)C1 ZINC001049782577 678585470 /nfs/dbraw/zinc/58/54/70/678585470.db2.gz LGRMQHHFVIYKMT-GHMZBOCLSA-N 1 1 322.365 -1.410 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cnnn1 ZINC001049807933 678585714 /nfs/dbraw/zinc/58/57/14/678585714.db2.gz VFZIJILXXAJTPY-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049791256 678585916 /nfs/dbraw/zinc/58/59/16/678585916.db2.gz RDFZJQLADWEOSZ-MNOVXSKESA-N 1 1 310.354 -1.404 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049836302 678586017 /nfs/dbraw/zinc/58/60/17/678586017.db2.gz VTGSIGPNNFXOIA-VXGBXAGGSA-N 1 1 324.381 -1.014 20 0 DAADMO CN1C(=O)CN(CC(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)C1=O ZINC001049842149 678586045 /nfs/dbraw/zinc/58/60/45/678586045.db2.gz VNYYEZAJFWGJGR-RYUDHWBXSA-N 1 1 324.381 -1.062 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049789718 678586087 /nfs/dbraw/zinc/58/60/87/678586087.db2.gz FJBRRSHNBVJJPG-NWDGAFQWSA-N 1 1 324.381 -1.014 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(N)=O)n(C)c1=O ZINC001049918764 678586269 /nfs/dbraw/zinc/58/62/69/678586269.db2.gz SSWSMLOFBKCURA-MNOVXSKESA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(N)=O)n(C)c1=O ZINC001049918764 678586273 /nfs/dbraw/zinc/58/62/73/678586273.db2.gz SSWSMLOFBKCURA-MNOVXSKESA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(N)=O)n(C)c1=O ZINC001049918758 678586656 /nfs/dbraw/zinc/58/66/56/678586656.db2.gz SSWSMLOFBKCURA-GHMZBOCLSA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(N)=O)n(C)c1=O ZINC001049918758 678586658 /nfs/dbraw/zinc/58/66/58/678586658.db2.gz SSWSMLOFBKCURA-GHMZBOCLSA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(N)=O)n(C)c1=O ZINC001049918768 678586707 /nfs/dbraw/zinc/58/67/07/678586707.db2.gz SSWSMLOFBKCURA-WDEREUQCSA-N 1 1 321.381 -1.112 20 0 DAADMO Cn1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(N)=O)n(C)c1=O ZINC001049918768 678586711 /nfs/dbraw/zinc/58/67/11/678586711.db2.gz SSWSMLOFBKCURA-WDEREUQCSA-N 1 1 321.381 -1.112 20 0 DAADMO NC(=O)Cn1cc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)nn1 ZINC001049909724 678586747 /nfs/dbraw/zinc/58/67/47/678586747.db2.gz BZICWEUPARKCSS-NEPJUHHUSA-N 1 1 322.369 -1.565 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001052671309 678588288 /nfs/dbraw/zinc/58/82/88/678588288.db2.gz MZINFJIOSWCGIG-VXGBXAGGSA-N 1 1 323.397 -1.129 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001052671618 678588320 /nfs/dbraw/zinc/58/83/20/678588320.db2.gz OVPRGLOEYTWHFN-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)CC1)N1CCC1 ZINC001052671308 678588514 /nfs/dbraw/zinc/58/85/14/678588514.db2.gz MZINFJIOSWCGIG-RYUDHWBXSA-N 1 1 323.397 -1.129 20 0 DAADMO O=C(N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1)[C@H]1CNC(=O)N1 ZINC001052671957 678589022 /nfs/dbraw/zinc/58/90/22/678589022.db2.gz QYRSTJHJACIHPM-VXGBXAGGSA-N 1 1 321.385 -1.070 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001052679406 678589214 /nfs/dbraw/zinc/58/92/14/678589214.db2.gz OHVPTNHWHKZUHX-VXGBXAGGSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC001052672712 678589220 /nfs/dbraw/zinc/58/92/20/678589220.db2.gz URLADTCWBWRGGX-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001052679405 678589234 /nfs/dbraw/zinc/58/92/34/678589234.db2.gz OHVPTNHWHKZUHX-RYUDHWBXSA-N 1 1 309.370 -1.300 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001052755654 678589240 /nfs/dbraw/zinc/58/92/40/678589240.db2.gz WYFLHFQEEPANSU-IUCAKERBSA-N 1 1 311.342 -1.960 20 0 DAADMO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC1)NC1CC1 ZINC001052671890 678589367 /nfs/dbraw/zinc/58/93/67/678589367.db2.gz QRYZORQCNXJRRU-ZYHUDNBSSA-N 1 1 323.397 -1.083 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052790977 678589664 /nfs/dbraw/zinc/58/96/64/678589664.db2.gz RVULSVZECGTRLM-ONGXEEELSA-N 1 1 324.381 -1.116 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792832 678589698 /nfs/dbraw/zinc/58/96/98/678589698.db2.gz UJJSGHAAEYPOMZ-LLVKDONJSA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001052792152 678589730 /nfs/dbraw/zinc/58/97/30/678589730.db2.gz MHQFREXMUQOEET-SNVBAGLBSA-N 1 1 310.354 -1.505 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)CC1 ZINC001052921569 678591147 /nfs/dbraw/zinc/59/11/47/678591147.db2.gz JUTFHPVPVCZCHT-JTQLQIEISA-N 1 1 310.354 -1.409 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052919611 678591185 /nfs/dbraw/zinc/59/11/85/678591185.db2.gz NAURWPZDJHJQLV-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)ccc1=O ZINC001052916631 678591269 /nfs/dbraw/zinc/59/12/69/678591269.db2.gz QKCBHWKKPUAJNF-SNVBAGLBSA-N 1 1 307.354 -1.150 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001052974842 678591866 /nfs/dbraw/zinc/59/18/66/678591866.db2.gz QXPXCQWQDJOFQE-QWRGUYRKSA-N 1 1 311.386 -1.015 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)nn1 ZINC001052952017 678591905 /nfs/dbraw/zinc/59/19/05/678591905.db2.gz AJCKLXASDPFOJY-SECBINFHSA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)nn1 ZINC001052952017 678591906 /nfs/dbraw/zinc/59/19/06/678591906.db2.gz AJCKLXASDPFOJY-SECBINFHSA-N 1 1 323.357 -2.167 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)nn1 ZINC001052959086 678591967 /nfs/dbraw/zinc/59/19/67/678591967.db2.gz RYTWDEWOIOIYRA-JTQLQIEISA-N 1 1 310.358 -1.660 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001052977156 678591993 /nfs/dbraw/zinc/59/19/93/678591993.db2.gz BEXYDKQGORLJRX-QWRGUYRKSA-N 1 1 324.381 -1.244 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052945199 678592098 /nfs/dbraw/zinc/59/20/98/678592098.db2.gz FMHMMYRHVNEXPS-NXEZZACHSA-N 1 1 318.399 -1.866 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCO)CC1 ZINC001052990648 678592573 /nfs/dbraw/zinc/59/25/73/678592573.db2.gz JNICYRFGOOIVEF-BETUJISGSA-N 1 1 310.398 -1.396 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCO)CC1 ZINC001052990648 678592574 /nfs/dbraw/zinc/59/25/74/678592574.db2.gz JNICYRFGOOIVEF-BETUJISGSA-N 1 1 310.398 -1.396 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCO)CC1 ZINC001052987229 678592597 /nfs/dbraw/zinc/59/25/97/678592597.db2.gz HCCYQUWPHIMJEM-OKILXGFUSA-N 1 1 324.425 -1.006 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053188315 678594599 /nfs/dbraw/zinc/59/45/99/678594599.db2.gz AQBCKIHJYTZJFH-LBPRGKRZSA-N 1 1 310.398 -1.260 20 0 DAADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053309377 678599449 /nfs/dbraw/zinc/59/94/49/678599449.db2.gz GDGDDEFSCRCKMU-LBPRGKRZSA-N 1 1 310.398 -1.131 20 0 DAADMO Cn1nnc(C(=O)N2CCOC3(C[NH+](C[C@@H]4CCOC4)C3)C2)n1 ZINC001053385419 678603180 /nfs/dbraw/zinc/60/31/80/678603180.db2.gz YVYOMZAJWXHSTI-NSHDSACASA-N 1 1 322.369 -1.227 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCOC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053402254 678603191 /nfs/dbraw/zinc/60/31/91/678603191.db2.gz ITNQPMQAWGTQTP-RYUDHWBXSA-N 1 1 324.381 -1.383 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@H]3C[C@]34CCOC4)C2)C1 ZINC001053402922 678603512 /nfs/dbraw/zinc/60/35/12/678603512.db2.gz HNWNTEFSERUNTR-RISCZKNCSA-N 1 1 309.366 -1.189 20 0 DAADMO NC(=O)C(=O)N1CCOC2(C[NH+](C[C@H]3CCNC(=O)CC3)C2)C1 ZINC001053404670 678603926 /nfs/dbraw/zinc/60/39/26/678603926.db2.gz QIPXVFJUATZQLW-LLVKDONJSA-N 1 1 324.381 -1.699 20 0 DAADMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001053429819 678604443 /nfs/dbraw/zinc/60/44/43/678604443.db2.gz YRYDYZGDMJMIRF-NEPJUHHUSA-N 1 1 310.398 -1.417 20 0 DAADMO CNC(=O)CN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053427551 678604540 /nfs/dbraw/zinc/60/45/40/678604540.db2.gz CVNGZDGLJAHPFP-ZDUSSCGKSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CCNC1=O ZINC001053643049 678610434 /nfs/dbraw/zinc/61/04/34/678610434.db2.gz SSPAEHKKVCDIFX-VXGBXAGGSA-N 1 1 311.382 -1.146 20 0 DAADMO C[C@H](O)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(C)n1)O2 ZINC001053646924 678610444 /nfs/dbraw/zinc/61/04/44/678610444.db2.gz IAOZMBHAQXUFIF-VHSXEESVSA-N 1 1 310.358 -1.446 20 0 DAADMO O=C(NC[C@H]1CCC2(C[NH+](CCCO)C2)O1)[C@@H]1CCC(=O)N1 ZINC001053692071 678611302 /nfs/dbraw/zinc/61/13/02/678611302.db2.gz JEXOUABQKPXABS-NEPJUHHUSA-N 1 1 311.382 -1.003 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC3(CN(CC(N)=O)C3)O2)C1 ZINC001053698787 678611504 /nfs/dbraw/zinc/61/15/04/678611504.db2.gz VPUUFOMFJIPPTO-RYUDHWBXSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1COC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053733032 678611787 /nfs/dbraw/zinc/61/17/87/678611787.db2.gz LDUNAOJGHBMVRN-NWDGAFQWSA-N 1 1 322.369 -1.331 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1COC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001053733033 678611879 /nfs/dbraw/zinc/61/18/79/678611879.db2.gz LDUNAOJGHBMVRN-RYUDHWBXSA-N 1 1 322.369 -1.331 20 0 DAADMO COCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053766000 678612925 /nfs/dbraw/zinc/61/29/25/678612925.db2.gz CBLFVNXJTIGBKC-STQMWFEESA-N 1 1 313.398 -1.077 20 0 DAADMO COCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053766000 678612927 /nfs/dbraw/zinc/61/29/27/678612927.db2.gz CBLFVNXJTIGBKC-STQMWFEESA-N 1 1 313.398 -1.077 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053846390 678617540 /nfs/dbraw/zinc/61/75/40/678617540.db2.gz DGLMAZSPXGJJLN-VXGBXAGGSA-N 1 1 310.398 -1.085 20 0 DAADMO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCNC(=O)C1)CO2 ZINC001053891330 678620548 /nfs/dbraw/zinc/62/05/48/678620548.db2.gz SCYXWSWSFWJHGM-LBPRGKRZSA-N 1 1 310.398 -1.214 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001053925182 678623422 /nfs/dbraw/zinc/62/34/22/678623422.db2.gz BGARJGVCNOTBRN-NEPJUHHUSA-N 1 1 310.398 -1.085 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2COC3(CN(CC(N)=O)C3)C2)C1 ZINC001053982978 678626097 /nfs/dbraw/zinc/62/60/97/678626097.db2.gz SLJQKBJQBFVJET-VXGBXAGGSA-N 1 1 310.398 -1.227 20 0 DAADMO CNC(=O)CN1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054007821 678627536 /nfs/dbraw/zinc/62/75/36/678627536.db2.gz MZYBHFRDUPIDPN-LBPRGKRZSA-N 1 1 321.381 -1.103 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054008127 678627584 /nfs/dbraw/zinc/62/75/84/678627584.db2.gz SZFZZIDJXCFDQI-OLZOCXBDSA-N 1 1 324.425 -1.014 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014360 678628071 /nfs/dbraw/zinc/62/80/71/678628071.db2.gz MYKDRJCLYIUKIK-CHWSQXEVSA-N 1 1 313.398 -1.341 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(CN(CCO)C3)C2)C1 ZINC001054014360 678628073 /nfs/dbraw/zinc/62/80/73/678628073.db2.gz MYKDRJCLYIUKIK-CHWSQXEVSA-N 1 1 313.398 -1.341 20 0 DAADMO NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054083052 678629174 /nfs/dbraw/zinc/62/91/74/678629174.db2.gz VXPHBAIOKVDDLZ-ZDUSSCGKSA-N 1 1 307.358 -1.527 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)n1 ZINC001054181953 678629344 /nfs/dbraw/zinc/62/93/44/678629344.db2.gz XEQHQLAQCYAYNG-CYBMUJFWSA-N 1 1 307.358 -1.377 20 0 DAADMO Cn1nnc(C(=O)N2CCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)n1 ZINC001054181953 678629346 /nfs/dbraw/zinc/62/93/46/678629346.db2.gz XEQHQLAQCYAYNG-CYBMUJFWSA-N 1 1 307.358 -1.377 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnnn1)C2 ZINC001054082261 678629408 /nfs/dbraw/zinc/62/94/08/678629408.db2.gz HMBQMJHSPWHDOS-RISCZKNCSA-N 1 1 321.385 -1.139 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)NC1=O ZINC001054176035 678629583 /nfs/dbraw/zinc/62/95/83/678629583.db2.gz ALZAVUUDUODUSB-IAQYHMDHSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001054365918 678629980 /nfs/dbraw/zinc/62/99/80/678629980.db2.gz JDIGCRLWSOLOGF-MWLCHTKSSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054358477 678630055 /nfs/dbraw/zinc/63/00/55/678630055.db2.gz FMGDMDHHYKYWCY-WPRPVWTQSA-N 1 1 318.341 -1.044 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054394800 678630635 /nfs/dbraw/zinc/63/06/35/678630635.db2.gz RCAOBZJYOYLLHG-GHMZBOCLSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054394803 678630663 /nfs/dbraw/zinc/63/06/63/678630663.db2.gz RCAOBZJYOYLLHG-WDEREUQCSA-N 1 1 319.373 -1.172 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054366974 678630709 /nfs/dbraw/zinc/63/07/09/678630709.db2.gz NKRLPHSIPJPVLP-UWVGGRQHSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054372979 678630763 /nfs/dbraw/zinc/63/07/63/678630763.db2.gz BJKREKPJLLGPBH-QWRGUYRKSA-N 1 1 321.385 -1.231 20 0 DAADMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@H]2C)[nH]1 ZINC001054369892 678630783 /nfs/dbraw/zinc/63/07/83/678630783.db2.gz MWGNOIHJHIUHDF-PSASIEDQSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054372977 678630799 /nfs/dbraw/zinc/63/07/99/678630799.db2.gz BJKREKPJLLGPBH-GHMZBOCLSA-N 1 1 321.385 -1.231 20 0 DAADMO C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054491976 678631332 /nfs/dbraw/zinc/63/13/32/678631332.db2.gz DWLXKGSOLLKHDM-IUCAKERBSA-N 1 1 317.357 -1.167 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001054500871 678631349 /nfs/dbraw/zinc/63/13/49/678631349.db2.gz SOIFWNPHJLGXTO-UWVGGRQHSA-N 1 1 322.369 -1.380 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1[NH2+]Cc1nncn1C ZINC001054461184 678631458 /nfs/dbraw/zinc/63/14/58/678631458.db2.gz NQHQLIHSLIIHJO-ZJUUUORDSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1[NH2+]Cc1ncnn1C ZINC001054463134 678631490 /nfs/dbraw/zinc/63/14/90/678631490.db2.gz XNBLUEOZYZIVEP-NXEZZACHSA-N 1 1 315.399 -1.204 20 0 DAADMO C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054491980 678631613 /nfs/dbraw/zinc/63/16/13/678631613.db2.gz DWLXKGSOLLKHDM-RKDXNWHRSA-N 1 1 317.357 -1.167 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001054506052 678632224 /nfs/dbraw/zinc/63/22/24/678632224.db2.gz JGBGVOMJFLRLKH-VHSXEESVSA-N 1 1 309.374 -1.105 20 0 DAADMO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnnn3C)C2)nnn1C ZINC001054524199 678632240 /nfs/dbraw/zinc/63/22/40/678632240.db2.gz LLNQZPKUKKEFPG-SCZZXKLOSA-N 1 1 319.373 -1.103 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnnn3C)C2)C1 ZINC001054603514 678632658 /nfs/dbraw/zinc/63/26/58/678632658.db2.gz XHRKEKRRLWVWSI-SKDRFNHKSA-N 1 1 321.385 -1.375 20 0 DAADMO C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054618305 678632715 /nfs/dbraw/zinc/63/27/15/678632715.db2.gz KQFNMTOZLVJCSN-BDAKNGLRSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054618308 678632777 /nfs/dbraw/zinc/63/27/77/678632777.db2.gz KQFNMTOZLVJCSN-DTWKUNHWSA-N 1 1 305.346 -1.411 20 0 DAADMO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054600429 678632901 /nfs/dbraw/zinc/63/29/01/678632901.db2.gz VBNREOPHJWMFPF-WCBMZHEXSA-N 1 1 319.373 -1.224 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC001054646476 678633344 /nfs/dbraw/zinc/63/33/44/678633344.db2.gz BYBVOGZMHAYJLA-ONGXEEELSA-N 1 1 305.346 -1.562 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054646517 678633354 /nfs/dbraw/zinc/63/33/54/678633354.db2.gz CCYSYNFSTOKOHM-RKDXNWHRSA-N 1 1 306.334 -2.167 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1[NH2+]Cc1nncn1C ZINC001054647534 678633364 /nfs/dbraw/zinc/63/33/64/678633364.db2.gz GCGUCMQVGKODCQ-NXEZZACHSA-N 1 1 305.346 -1.562 20 0 DAADMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)n1 ZINC001054646453 678633372 /nfs/dbraw/zinc/63/33/72/678633372.db2.gz BOGOHZNWHQHQSK-ZYHUDNBSSA-N 1 1 319.373 -1.079 20 0 DAADMO Cc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)[nH]1 ZINC001054651593 678633835 /nfs/dbraw/zinc/63/38/35/678633835.db2.gz ZBOKKMLTKIVGAD-WPRPVWTQSA-N 1 1 305.346 -1.264 20 0 DAADMO C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054753830 678634556 /nfs/dbraw/zinc/63/45/56/678634556.db2.gz BAPLPOHIZUSPGC-RKDXNWHRSA-N 1 1 309.374 -1.342 20 0 DAADMO C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1[NH2+]Cc1cnon1 ZINC001054750153 678634858 /nfs/dbraw/zinc/63/48/58/678634858.db2.gz LWZKRPVSZPEZKO-CMPLNLGQSA-N 1 1 323.353 -1.135 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC001054962883 678636095 /nfs/dbraw/zinc/63/60/95/678636095.db2.gz UTVAWYNIJVLCGX-CBAPKCEASA-N 1 1 305.346 -1.113 20 0 DAADMO Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001054962882 678636184 /nfs/dbraw/zinc/63/61/84/678636184.db2.gz UTVAWYNIJVLCGX-APPZFPTMSA-N 1 1 305.346 -1.113 20 0 DAADMO C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1[NH2+]Cc1cnon1 ZINC001054969437 678636359 /nfs/dbraw/zinc/63/63/59/678636359.db2.gz QWZMDOQEMLESRT-PWSUYJOCSA-N 1 1 322.369 -1.562 20 0 DAADMO C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1[NH2+]Cc1nnnn1C ZINC001054980354 678636771 /nfs/dbraw/zinc/63/67/71/678636771.db2.gz CGXBDLLEYCUGHT-YUMQZZPRSA-N 1 1 306.334 -2.016 20 0 DAADMO C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001054980351 678636790 /nfs/dbraw/zinc/63/67/90/678636790.db2.gz CGXBDLLEYCUGHT-HTQZYQBOSA-N 1 1 306.334 -2.016 20 0 DAADMO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001055022236 678637443 /nfs/dbraw/zinc/63/74/43/678637443.db2.gz BGRKNZVCWHNNMD-RKDXNWHRSA-N 1 1 308.342 -1.770 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055027520 678637631 /nfs/dbraw/zinc/63/76/31/678637631.db2.gz XQYPKAXNADQOKL-ZJUUUORDSA-N 1 1 309.374 -1.105 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CNC(N)=O)C[C@H]2C1 ZINC001055155453 678638724 /nfs/dbraw/zinc/63/87/24/678638724.db2.gz XESYHBMERNLDSF-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055548149 678642180 /nfs/dbraw/zinc/64/21/80/678642180.db2.gz GYLPCPNPIOIXIB-UHFFFAOYSA-N 1 1 323.357 -2.010 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)c2ncccn2)CC1 ZINC001055623772 678642790 /nfs/dbraw/zinc/64/27/90/678642790.db2.gz OQXXZKZVNNEWSS-UHFFFAOYSA-N 1 1 320.353 -1.728 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001055628316 678642845 /nfs/dbraw/zinc/64/28/45/678642845.db2.gz BBDAZIGTXJIGRQ-UHFFFAOYSA-N 1 1 310.314 -2.135 20 0 DAADMO CC[C@@H](OC)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626681 678642913 /nfs/dbraw/zinc/64/29/13/678642913.db2.gz CCCMQAHTKQOCCK-LLVKDONJSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1ocnc1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627646 678642923 /nfs/dbraw/zinc/64/29/23/678642923.db2.gz UZPXTTIETHWCFB-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001055627897 678642928 /nfs/dbraw/zinc/64/29/28/678642928.db2.gz YAVONIUGJRFCCU-UHFFFAOYSA-N 1 1 309.326 -1.530 20 0 DAADMO CCC(=O)NC1CC[NH+](CCNC(=O)c2nnn(C)n2)CC1 ZINC001055617502 678642944 /nfs/dbraw/zinc/64/29/44/678642944.db2.gz IXFIREMWJKYBIR-UHFFFAOYSA-N 1 1 309.374 -1.070 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC001055626833 678643012 /nfs/dbraw/zinc/64/30/12/678643012.db2.gz IJLJMDBSNVZMQY-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)c2cnon2)CC1 ZINC001055622512 678643080 /nfs/dbraw/zinc/64/30/80/678643080.db2.gz NCRNUQGYNATXSY-UHFFFAOYSA-N 1 1 324.341 -1.745 20 0 DAADMO CC[C@H](OC)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055626682 678643105 /nfs/dbraw/zinc/64/31/05/678643105.db2.gz CCCMQAHTKQOCCK-NSHDSACASA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627005 678643160 /nfs/dbraw/zinc/64/31/60/678643160.db2.gz KFMSYAROAHKARC-UHFFFAOYSA-N 1 1 314.346 -3.163 20 0 DAADMO Cc1nocc1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055632241 678643436 /nfs/dbraw/zinc/64/34/36/678643436.db2.gz RLBLGRYZRACXSA-UHFFFAOYSA-N 1 1 323.353 -1.221 20 0 DAADMO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)CCCF)CC1 ZINC001055629959 678643563 /nfs/dbraw/zinc/64/35/63/678643563.db2.gz PFGRXBSUTQHWAR-UHFFFAOYSA-N 1 1 302.350 -1.082 20 0 DAADMO CC[C@H](F)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629637 678643779 /nfs/dbraw/zinc/64/37/79/678643779.db2.gz FZCNOHSTNKWPND-JTQLQIEISA-N 1 1 302.350 -1.083 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001055648733 678643814 /nfs/dbraw/zinc/64/38/14/678643814.db2.gz KVMBIHIFMRACRT-UHFFFAOYSA-N 1 1 323.357 -2.471 20 0 DAADMO CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629240 678643931 /nfs/dbraw/zinc/64/39/31/678643931.db2.gz RHVOAWOGXYFZAH-LLVKDONJSA-N 1 1 314.386 -1.815 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087625 678656428 /nfs/dbraw/zinc/65/64/28/678656428.db2.gz GJJNFWSGFYIVLM-AWEZNQCLSA-N 1 1 314.386 -1.718 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056087393 678656580 /nfs/dbraw/zinc/65/65/80/678656580.db2.gz AGVMHYNJNKPYJD-AWEZNQCLSA-N 1 1 323.353 -1.853 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)C(N)=O)C1 ZINC001056090197 678657953 /nfs/dbraw/zinc/65/79/53/678657953.db2.gz YWNHWDZXZZOHPF-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056784238 678667818 /nfs/dbraw/zinc/66/78/18/678667818.db2.gz FQQQEPBAFSNZSL-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056784238 678667822 /nfs/dbraw/zinc/66/78/22/678667822.db2.gz FQQQEPBAFSNZSL-NSHDSACASA-N 1 1 303.359 -2.100 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001056789841 678668780 /nfs/dbraw/zinc/66/87/80/678668780.db2.gz DFRIBADQGHYHDM-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001056792079 678669148 /nfs/dbraw/zinc/66/91/48/678669148.db2.gz BKGQPUMEBJSCGW-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO COCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001056792079 678669150 /nfs/dbraw/zinc/66/91/50/678669150.db2.gz BKGQPUMEBJSCGW-VXGBXAGGSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001000106601 678670616 /nfs/dbraw/zinc/67/06/16/678670616.db2.gz UIEQEYMRBDNPSO-HZMBPMFUSA-N 1 1 321.385 -1.041 20 0 DAADMO CC(=O)NCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001056817335 678672639 /nfs/dbraw/zinc/67/26/39/678672639.db2.gz NVHWTXMIOCSICU-UHFFFAOYSA-N 1 1 316.402 -1.600 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cnccn2)C1 ZINC001056835037 678673219 /nfs/dbraw/zinc/67/32/19/678673219.db2.gz GMQVOCFZOIWXQL-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056865129 678674241 /nfs/dbraw/zinc/67/42/41/678674241.db2.gz ZVOHJXJKDUWTMT-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CCOCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056865129 678674242 /nfs/dbraw/zinc/67/42/42/678674242.db2.gz ZVOHJXJKDUWTMT-GFCCVEGCSA-N 1 1 317.386 -1.709 20 0 DAADMO CSCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056899622 678676156 /nfs/dbraw/zinc/67/61/56/678676156.db2.gz DAFYMXZIQZWYGB-NSHDSACASA-N 1 1 319.427 -1.383 20 0 DAADMO CSCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056899622 678676159 /nfs/dbraw/zinc/67/61/59/678676159.db2.gz DAFYMXZIQZWYGB-NSHDSACASA-N 1 1 319.427 -1.383 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)CNC(N)=O)C1 ZINC001056919007 678678660 /nfs/dbraw/zinc/67/86/60/678678660.db2.gz CGIBYBPBJBDIDM-JTQLQIEISA-N 1 1 315.374 -2.457 20 0 DAADMO CC(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057000202 678683560 /nfs/dbraw/zinc/68/35/60/678683560.db2.gz KYJQXUNALVGZKQ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO CC(C)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057000202 678683564 /nfs/dbraw/zinc/68/35/64/678683564.db2.gz KYJQXUNALVGZKQ-GFCCVEGCSA-N 1 1 301.387 -1.090 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]c2)C1 ZINC001057076801 678689169 /nfs/dbraw/zinc/68/91/69/678689169.db2.gz PDVUBXNTTVQNEO-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO Cn1nccc1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057155313 678695623 /nfs/dbraw/zinc/69/56/23/678695623.db2.gz KSMXFGVQDXRBIM-LBPRGKRZSA-N 1 1 323.397 -1.078 20 0 DAADMO Cn1nncc1C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212167 678699633 /nfs/dbraw/zinc/69/96/33/678699633.db2.gz KASUMRVWMMNEMO-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO Cc1nn[nH]c1C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057213058 678699647 /nfs/dbraw/zinc/69/96/47/678699647.db2.gz DIKIBVVLROMATO-NSHDSACASA-N 1 1 324.385 -1.242 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001057211856 678699951 /nfs/dbraw/zinc/69/99/51/678699951.db2.gz FCIHBALMGQWOOM-NSHDSACASA-N 1 1 311.342 -1.286 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001050026374 678701083 /nfs/dbraw/zinc/70/10/83/678701083.db2.gz CBJOMVCNZFSHDF-OUAUKWLOSA-N 1 1 322.369 -1.220 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050003662 678701138 /nfs/dbraw/zinc/70/11/38/678701138.db2.gz MVISENFGIWCJNN-HBNTYKKESA-N 1 1 322.365 -1.410 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001050026501 678701406 /nfs/dbraw/zinc/70/14/06/678701406.db2.gz HUHLVPQUFCAEAC-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3COCCN3C)[C@@H]2C1 ZINC001050026501 678701410 /nfs/dbraw/zinc/70/14/10/678701410.db2.gz HUHLVPQUFCAEAC-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057241823 678702282 /nfs/dbraw/zinc/70/22/82/678702282.db2.gz NZLJNIYLGLHSRW-SNVBAGLBSA-N 1 1 300.359 -2.107 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001050033189 678702743 /nfs/dbraw/zinc/70/27/43/678702743.db2.gz SYYGWUUQJPBYJO-WCQYABFASA-N 1 1 308.382 -1.127 20 0 DAADMO CC(=O)N1CC(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001050033189 678702748 /nfs/dbraw/zinc/70/27/48/678702748.db2.gz SYYGWUUQJPBYJO-WCQYABFASA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)CC(N)=O)C1 ZINC001057242734 678702851 /nfs/dbraw/zinc/70/28/51/678702851.db2.gz FTKHJGZFXUBBIB-NSHDSACASA-N 1 1 314.386 -1.859 20 0 DAADMO C[C@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057243918 678703079 /nfs/dbraw/zinc/70/30/79/678703079.db2.gz JRGDTGBCYMCYPI-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[C@@H]1CCC[N@H+]1CC(=O)NCCN(CCO)C(=O)CC(N)=O ZINC001057243917 678703103 /nfs/dbraw/zinc/70/31/03/678703103.db2.gz JRGDTGBCYMCYPI-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050047085 678703840 /nfs/dbraw/zinc/70/38/40/678703840.db2.gz QRUVEDZAERFXEY-NWDGAFQWSA-N 1 1 321.385 -1.316 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050049239 678704145 /nfs/dbraw/zinc/70/41/45/678704145.db2.gz XBQMRXLIBVPJMZ-OUAUKWLOSA-N 1 1 307.358 -1.530 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050048584 678704229 /nfs/dbraw/zinc/70/42/29/678704229.db2.gz FBXIDGFCYVIRCN-GRYCIOLGSA-N 1 1 321.385 -1.270 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)n1 ZINC001050048956 678704319 /nfs/dbraw/zinc/70/43/19/678704319.db2.gz CVZSDFMFCWGAQS-WDEREUQCSA-N 1 1 322.369 -1.708 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001050048585 678704369 /nfs/dbraw/zinc/70/43/69/678704369.db2.gz FBXIDGFCYVIRCN-SDDRHHMPSA-N 1 1 321.385 -1.270 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050066097 678705286 /nfs/dbraw/zinc/70/52/86/678705286.db2.gz DSQQUVNUDUSAPY-FIQHERPVSA-N 1 1 324.381 -1.112 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050067630 678705333 /nfs/dbraw/zinc/70/53/33/678705333.db2.gz UJZFRPPTLPTNSQ-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)[C@@H]2C1 ZINC001050067630 678705335 /nfs/dbraw/zinc/70/53/35/678705335.db2.gz UJZFRPPTLPTNSQ-LPEHRKFASA-N 1 1 323.353 -2.007 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050067293 678705397 /nfs/dbraw/zinc/70/53/97/678705397.db2.gz QXJTZPLUHHWASP-GARJFASQSA-N 1 1 310.354 -1.500 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001057254221 678705462 /nfs/dbraw/zinc/70/54/62/678705462.db2.gz IFDPDRYMZKAOQQ-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057254221 678705463 /nfs/dbraw/zinc/70/54/63/678705463.db2.gz IFDPDRYMZKAOQQ-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)Cc1ccn[nH]1 ZINC001057254221 678705465 /nfs/dbraw/zinc/70/54/65/678705465.db2.gz IFDPDRYMZKAOQQ-ZDUSSCGKSA-N 1 1 323.397 -1.017 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001050061313 678705609 /nfs/dbraw/zinc/70/56/09/678705609.db2.gz MHNUJGZFRXTUKV-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO CN1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1=O ZINC001050061313 678705612 /nfs/dbraw/zinc/70/56/12/678705612.db2.gz MHNUJGZFRXTUKV-SDDRHHMPSA-N 1 1 308.382 -1.127 20 0 DAADMO Cn1cnn(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)c1=O ZINC001050081605 678705706 /nfs/dbraw/zinc/70/57/06/678705706.db2.gz JIYVNZISYNNETG-NWDGAFQWSA-N 1 1 309.370 -1.503 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263218 678706427 /nfs/dbraw/zinc/70/64/27/678706427.db2.gz GJRJEBYERLHPNY-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263218 678706430 /nfs/dbraw/zinc/70/64/30/678706430.db2.gz GJRJEBYERLHPNY-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050115997 678706764 /nfs/dbraw/zinc/70/67/64/678706764.db2.gz KQWUIUJGBIPQHD-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050115997 678706768 /nfs/dbraw/zinc/70/67/68/678706768.db2.gz KQWUIUJGBIPQHD-VHSXEESVSA-N 1 1 307.358 -1.508 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116581 678706814 /nfs/dbraw/zinc/70/68/14/678706814.db2.gz WJEJITLFYLXBSK-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001050116581 678706819 /nfs/dbraw/zinc/70/68/19/678706819.db2.gz WJEJITLFYLXBSK-OUAUKWLOSA-N 1 1 321.385 -1.119 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001050128887 678706904 /nfs/dbraw/zinc/70/69/04/678706904.db2.gz RDMFXHAGKSHEKA-GXSJLCMTSA-N 1 1 305.338 -1.208 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2C1 ZINC001050128887 678706908 /nfs/dbraw/zinc/70/69/08/678706908.db2.gz RDMFXHAGKSHEKA-GXSJLCMTSA-N 1 1 305.338 -1.208 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057264546 678707208 /nfs/dbraw/zinc/70/72/08/678707208.db2.gz BAHUIQDOBRRBMR-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057264546 678707209 /nfs/dbraw/zinc/70/72/09/678707209.db2.gz BAHUIQDOBRRBMR-UPJWGTAASA-N 1 1 313.398 -1.090 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050110698 678707243 /nfs/dbraw/zinc/70/72/43/678707243.db2.gz WTXGXNSHDPQMFW-QWHCGFSZSA-N 1 1 310.398 -1.667 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112702 678707266 /nfs/dbraw/zinc/70/72/66/678707266.db2.gz FOVXJBWASYSKJK-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001050112702 678707269 /nfs/dbraw/zinc/70/72/69/678707269.db2.gz FOVXJBWASYSKJK-SDDRHHMPSA-N 1 1 323.397 -1.321 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050165329 678707487 /nfs/dbraw/zinc/70/74/87/678707487.db2.gz AACIJRVKVWGJCG-WDEREUQCSA-N 1 1 310.354 -1.547 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC001050152275 678707561 /nfs/dbraw/zinc/70/75/61/678707561.db2.gz KGCVPORIWFEWKN-NOOOWODRSA-N 1 1 324.381 -1.112 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050152279 678707730 /nfs/dbraw/zinc/70/77/30/678707730.db2.gz KPAUBSVOSJGZTL-GARJFASQSA-N 1 1 310.354 -1.500 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050160935 678707776 /nfs/dbraw/zinc/70/77/76/678707776.db2.gz BBCITWLYYGJQHH-CMPLNLGQSA-N 1 1 309.366 -1.046 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1=O ZINC001050198138 678708250 /nfs/dbraw/zinc/70/82/50/678708250.db2.gz AAVYJMAFNNUMNR-NWDGAFQWSA-N 1 1 324.381 -1.205 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001057347346 678710677 /nfs/dbraw/zinc/71/06/77/678710677.db2.gz UWTVGDOOIKQTHC-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)c2cncnc2)C1 ZINC001057409300 678715101 /nfs/dbraw/zinc/71/51/01/678715101.db2.gz YLIDQQUAUIFSOA-LBPRGKRZSA-N 1 1 321.381 -1.021 20 0 DAADMO CC(C)[C@@H](O)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057491024 678722722 /nfs/dbraw/zinc/72/27/22/678722722.db2.gz RIANZGMVWRHVJU-QWHCGFSZSA-N 1 1 315.414 -1.108 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001057496197 678723976 /nfs/dbraw/zinc/72/39/76/678723976.db2.gz ILZXQENEPLPLNO-LLVKDONJSA-N 1 1 324.385 -1.540 20 0 DAADMO Cn1cnc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001057498965 678724907 /nfs/dbraw/zinc/72/49/07/678724907.db2.gz PXDKLURDOJBWMN-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO Cn1nnnc1CN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848819 678732738 /nfs/dbraw/zinc/73/27/38/678732738.db2.gz PSUWWMFCYYWOCH-VXGBXAGGSA-N 1 1 323.401 -1.379 20 0 DAADMO Cn1nnnc1CN1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848818 678733000 /nfs/dbraw/zinc/73/30/00/678733000.db2.gz PSUWWMFCYYWOCH-RYUDHWBXSA-N 1 1 323.401 -1.379 20 0 DAADMO CO[C@H](C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632540 678733333 /nfs/dbraw/zinc/73/33/33/678733333.db2.gz QZHBBIJHSYKCFO-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO COCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632829 678733428 /nfs/dbraw/zinc/73/34/28/678733428.db2.gz YWNCKGOJRIZQJZ-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)CNC(N)=O)C1 ZINC001057632076 678733458 /nfs/dbraw/zinc/73/34/58/678733458.db2.gz GNGURUYIELEKJU-JTQLQIEISA-N 1 1 315.374 -2.457 20 0 DAADMO CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632270 678733488 /nfs/dbraw/zinc/73/34/88/678733488.db2.gz LEWREUHKUBMJHI-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO Cn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001057631830 678733496 /nfs/dbraw/zinc/73/34/96/678733496.db2.gz DKIOHUWOQHWRHO-GFCCVEGCSA-N 1 1 323.397 -1.078 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001050856082 678733636 /nfs/dbraw/zinc/73/36/36/678733636.db2.gz BYXGCXISEHEVHI-MNOVXSKESA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001050856082 678733639 /nfs/dbraw/zinc/73/36/39/678733639.db2.gz BYXGCXISEHEVHI-MNOVXSKESA-N 1 1 300.359 -2.381 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2ncccn2)C1 ZINC001057633235 678733884 /nfs/dbraw/zinc/73/38/84/678733884.db2.gz HTQXQMAKRCJICF-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)c2cncnc2)C1 ZINC001057632655 678733897 /nfs/dbraw/zinc/73/38/97/678733897.db2.gz UBLFSCYPPBIDMR-GFCCVEGCSA-N 1 1 321.381 -1.021 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cn2cncn2)C1 ZINC001057635719 678734145 /nfs/dbraw/zinc/73/41/45/678734145.db2.gz HVPPXJUBZQZGOP-LBPRGKRZSA-N 1 1 324.385 -1.833 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001050858087 678734241 /nfs/dbraw/zinc/73/42/41/678734241.db2.gz DMZUBMCKYZIVRS-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001050858087 678734249 /nfs/dbraw/zinc/73/42/49/678734249.db2.gz DMZUBMCKYZIVRS-VXGBXAGGSA-N 1 1 314.386 -2.120 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ccnnc2)C1 ZINC001057636632 678734455 /nfs/dbraw/zinc/73/44/55/678734455.db2.gz VQIIJTOHGFMWBW-ZDUSSCGKSA-N 1 1 321.381 -1.021 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001050858085 678734486 /nfs/dbraw/zinc/73/44/86/678734486.db2.gz DMZUBMCKYZIVRS-RYUDHWBXSA-N 1 1 314.386 -2.120 20 0 DAADMO CNC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001050858085 678734488 /nfs/dbraw/zinc/73/44/88/678734488.db2.gz DMZUBMCKYZIVRS-RYUDHWBXSA-N 1 1 314.386 -2.120 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2nnc[nH]2)C1 ZINC001057634123 678734517 /nfs/dbraw/zinc/73/45/17/678734517.db2.gz YPHZXLZRRGRNPC-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001057634123 678734518 /nfs/dbraw/zinc/73/45/18/678734518.db2.gz YPHZXLZRRGRNPC-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2ncn[nH]2)C1 ZINC001057634123 678734520 /nfs/dbraw/zinc/73/45/20/678734520.db2.gz YPHZXLZRRGRNPC-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001057634123 678734523 /nfs/dbraw/zinc/73/45/23/678734523.db2.gz YPHZXLZRRGRNPC-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)c2nc[nH]n2)C1 ZINC001057634123 678734525 /nfs/dbraw/zinc/73/45/25/678734525.db2.gz YPHZXLZRRGRNPC-JTQLQIEISA-N 1 1 310.358 -1.693 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)Cn2nccn2)C1 ZINC001057635699 678734532 /nfs/dbraw/zinc/73/45/32/678734532.db2.gz HIYABRZFHPFROI-LBPRGKRZSA-N 1 1 324.385 -1.833 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2CCO)C1 ZINC001051082326 678745654 /nfs/dbraw/zinc/74/56/54/678745654.db2.gz YQEJUMGFJJYGFY-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2CC(=O)N2CCC2)C1 ZINC001051241337 678750955 /nfs/dbraw/zinc/75/09/55/678750955.db2.gz LPMMMPLHKJERCN-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO O=C(NC[C@@H]1COCC[N@@H+]1CC1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001051247909 678751631 /nfs/dbraw/zinc/75/16/31/678751631.db2.gz RABPCLJEXXCTFY-NEPJUHHUSA-N 1 1 317.411 -1.095 20 0 DAADMO O=C(NC[C@@H]1COCC[N@H+]1CC1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001051247909 678751634 /nfs/dbraw/zinc/75/16/34/678751634.db2.gz RABPCLJEXXCTFY-NEPJUHHUSA-N 1 1 317.411 -1.095 20 0 DAADMO O=C(NC[C@H]1COCC[N@@H+]1CC1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001051247910 678751640 /nfs/dbraw/zinc/75/16/40/678751640.db2.gz RABPCLJEXXCTFY-NWDGAFQWSA-N 1 1 317.411 -1.095 20 0 DAADMO O=C(NC[C@H]1COCC[N@H+]1CC1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001051247910 678751643 /nfs/dbraw/zinc/75/16/43/678751643.db2.gz RABPCLJEXXCTFY-NWDGAFQWSA-N 1 1 317.411 -1.095 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001051412041 678754146 /nfs/dbraw/zinc/75/41/46/678754146.db2.gz AXLSUWOHKKGRMN-JTQLQIEISA-N 1 1 324.341 -1.585 20 0 DAADMO O=C(Cn1cnnn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051420822 678754556 /nfs/dbraw/zinc/75/45/56/678754556.db2.gz KFRODOLURZRHHP-SNVBAGLBSA-N 1 1 308.302 -1.927 20 0 DAADMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)Cn3cnnn3)CCO2)co1 ZINC001051420806 678754680 /nfs/dbraw/zinc/75/46/80/678754680.db2.gz KFETVPPJYXWUEL-LBPRGKRZSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cnnn3)CCO2)n1 ZINC001051420551 678754971 /nfs/dbraw/zinc/75/49/71/678754971.db2.gz IQEQEQAMEVUGPO-LLVKDONJSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001051423593 678755222 /nfs/dbraw/zinc/75/52/22/678755222.db2.gz UUYFCFYWLBEPQK-WDEREUQCSA-N 1 1 310.358 -1.294 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001051426300 678755398 /nfs/dbraw/zinc/75/53/98/678755398.db2.gz LEYANYFCXGELCL-SECBINFHSA-N 1 1 322.333 -2.786 20 0 DAADMO O=C([C@@H]1COCCO1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051458298 678755957 /nfs/dbraw/zinc/75/59/57/678755957.db2.gz TXWHDJMXZRFRBN-NEPJUHHUSA-N 1 1 312.326 -1.198 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001051461431 678756634 /nfs/dbraw/zinc/75/66/34/678756634.db2.gz QLFRFQLAJQHHGT-JTQLQIEISA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001051461432 678756775 /nfs/dbraw/zinc/75/67/75/678756775.db2.gz QLFRFQLAJQHHGT-SNVBAGLBSA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)nc1=O ZINC001051501930 678758771 /nfs/dbraw/zinc/75/87/71/678758771.db2.gz LWPRDEVTTFTFQS-QMMMGPOBSA-N 1 1 312.330 -2.699 20 0 DAADMO Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)nn1 ZINC001051489617 678758787 /nfs/dbraw/zinc/75/87/87/678758787.db2.gz IWCDOZZHHWSAAJ-NWDGAFQWSA-N 1 1 322.369 -1.589 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051503289 678758906 /nfs/dbraw/zinc/75/89/06/678758906.db2.gz ZYLQCKOPMASXOF-LLVKDONJSA-N 1 1 307.354 -1.023 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051501362 678759091 /nfs/dbraw/zinc/75/90/91/678759091.db2.gz DKFDHNVEZWWIMQ-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO Cc1ccnc(C[NH2+]C[C@H]2CN(C(=O)CC(N)=O)CCO2)n1 ZINC001051503290 678759419 /nfs/dbraw/zinc/75/94/19/678759419.db2.gz ZYLQCKOPMASXOF-NSHDSACASA-N 1 1 307.354 -1.023 20 0 DAADMO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)CC(N)=O)CCO2)on1 ZINC001051504842 678759711 /nfs/dbraw/zinc/75/97/11/678759711.db2.gz LPXYJRSSPOMUTE-SNVBAGLBSA-N 1 1 312.326 -1.124 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001051505152 678759753 /nfs/dbraw/zinc/75/97/53/678759753.db2.gz MWXOGYJSUOZUIO-RYUDHWBXSA-N 1 1 324.385 -1.046 20 0 DAADMO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1)c1nnnn1C ZINC001051505857 678759856 /nfs/dbraw/zinc/75/98/56/678759856.db2.gz UJTBDYQIZNORTC-BDAKNGLRSA-N 1 1 311.346 -2.037 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051503922 678759965 /nfs/dbraw/zinc/75/99/65/678759965.db2.gz DYDBFPUJQLXFLE-JTQLQIEISA-N 1 1 310.358 -1.510 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051503923 678760115 /nfs/dbraw/zinc/76/01/15/678760115.db2.gz DYDBFPUJQLXFLE-SNVBAGLBSA-N 1 1 310.358 -1.510 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051529553 678760520 /nfs/dbraw/zinc/76/05/20/678760520.db2.gz CWDPEEHDGUVIDD-QWRGUYRKSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CCc1nc[nH]n1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051529551 678760876 /nfs/dbraw/zinc/76/08/76/678760876.db2.gz CWDPEEHDGUVIDD-GHMZBOCLSA-N 1 1 322.369 -1.557 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051565732 678761176 /nfs/dbraw/zinc/76/11/76/678761176.db2.gz ZTFIOZLRQVFNTH-NSHDSACASA-N 1 1 322.325 -1.011 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051565731 678761404 /nfs/dbraw/zinc/76/14/04/678761404.db2.gz ZTFIOZLRQVFNTH-LLVKDONJSA-N 1 1 322.325 -1.011 20 0 DAADMO O=C(CN1CN=NC1=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051565121 678761428 /nfs/dbraw/zinc/76/14/28/678761428.db2.gz QINKYBZSRGOTBM-SNVBAGLBSA-N 1 1 323.313 -1.616 20 0 DAADMO Cn1nncc1C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051587781 678761851 /nfs/dbraw/zinc/76/18/51/678761851.db2.gz LEEOUVLUMYRYQI-SNVBAGLBSA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)n1 ZINC001051588307 678761972 /nfs/dbraw/zinc/76/19/72/678761972.db2.gz PISBGBXPLFVEFK-GHMZBOCLSA-N 1 1 324.341 -1.760 20 0 DAADMO Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)nn1 ZINC001051588740 678762044 /nfs/dbraw/zinc/76/20/44/678762044.db2.gz XKGUCYGBMBUUIU-MNOVXSKESA-N 1 1 324.341 -1.760 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001051593045 678762762 /nfs/dbraw/zinc/76/27/62/678762762.db2.gz UWKRMSXHDJCUCP-ZYHUDNBSSA-N 1 1 312.374 -1.456 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)nn1 ZINC001051594234 678762991 /nfs/dbraw/zinc/76/29/91/678762991.db2.gz HLDVSUBXZSWNHF-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncnn3C)C2)nn1 ZINC001051594624 678762996 /nfs/dbraw/zinc/76/29/96/678762996.db2.gz MCTCBNKGAOHWNB-SNVBAGLBSA-N 1 1 320.357 -1.426 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051614629 678763349 /nfs/dbraw/zinc/76/33/49/678763349.db2.gz LLALLINOCADLMO-LLVKDONJSA-N 1 1 307.314 -1.322 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051614704 678763528 /nfs/dbraw/zinc/76/35/28/678763528.db2.gz MDFBEYZKRIBVMB-SECBINFHSA-N 1 1 322.333 -2.786 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615624 678764006 /nfs/dbraw/zinc/76/40/06/678764006.db2.gz XNCQDNIAQWIIIQ-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO O=C(Cn1ncnn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051616278 678764212 /nfs/dbraw/zinc/76/42/12/678764212.db2.gz HUKOFPSMADJHCH-JTQLQIEISA-N 1 1 308.302 -1.927 20 0 DAADMO Cc1nc(C[NH2+]C[C@H]2CN(C(=O)Cn3ncnn3)CCO2)co1 ZINC001051616774 678764461 /nfs/dbraw/zinc/76/44/61/678764461.db2.gz LPANSWNEQHPVGF-LBPRGKRZSA-N 1 1 321.341 -1.013 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001051615625 678764477 /nfs/dbraw/zinc/76/44/77/678764477.db2.gz XNCQDNIAQWIIIQ-SNVBAGLBSA-N 1 1 321.345 -2.181 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001051628098 678764873 /nfs/dbraw/zinc/76/48/73/678764873.db2.gz PEGWEQBPVDWSJQ-WDMOLILDSA-N 1 1 322.369 -1.436 20 0 DAADMO O=C(Cn1nccn1)N1CCO[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001051640951 678765226 /nfs/dbraw/zinc/76/52/26/678765226.db2.gz LJWFAFQEDSVSDP-NSHDSACASA-N 1 1 307.314 -1.322 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)Cn3nccn3)CCO2)[nH]1 ZINC001051640927 678765351 /nfs/dbraw/zinc/76/53/51/678765351.db2.gz KZEDMKORVUYPKF-NSHDSACASA-N 1 1 320.357 -1.278 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001051641346 678765617 /nfs/dbraw/zinc/76/56/17/678765617.db2.gz UZJYBTHOASQWBP-JTQLQIEISA-N 1 1 321.345 -2.181 20 0 DAADMO COC1CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051673074 678765911 /nfs/dbraw/zinc/76/59/11/678765911.db2.gz LWZASPKFACSYHL-MCIGGMRASA-N 1 1 324.385 -1.048 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051665964 678766042 /nfs/dbraw/zinc/76/60/42/678766042.db2.gz ZJFLEUXEABMEFG-SNVBAGLBSA-N 1 1 311.342 -1.102 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)n1 ZINC001051696521 678766703 /nfs/dbraw/zinc/76/67/03/678766703.db2.gz SAZQYLRHQPKFBZ-SNVBAGLBSA-N 1 1 306.330 -1.436 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001051747255 678768222 /nfs/dbraw/zinc/76/82/22/678768222.db2.gz LEVWDPGQXQUXGT-JTQLQIEISA-N 1 1 320.357 -1.128 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)n1 ZINC001051752107 678768685 /nfs/dbraw/zinc/76/86/85/678768685.db2.gz DEYQNIHFTZWBRZ-NWDGAFQWSA-N 1 1 322.369 -1.732 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051749125 678768788 /nfs/dbraw/zinc/76/87/88/678768788.db2.gz AXMMPOOYNFFZMZ-QWRGUYRKSA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001051749122 678768890 /nfs/dbraw/zinc/76/88/90/678768890.db2.gz AXMMPOOYNFFZMZ-MNOVXSKESA-N 1 1 322.369 -1.226 20 0 DAADMO Cc1n[nH]nc1C(=O)N1CCO[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001051750604 678768941 /nfs/dbraw/zinc/76/89/41/678768941.db2.gz OVDSPKIIHCOJJB-SNVBAGLBSA-N 1 1 320.357 -1.128 20 0 DAADMO CN1C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)NC1=O ZINC001051755841 678769243 /nfs/dbraw/zinc/76/92/43/678769243.db2.gz KZUFVXVSHNGWNV-GHMZBOCLSA-N 1 1 324.341 -1.590 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051753184 678769380 /nfs/dbraw/zinc/76/93/80/678769380.db2.gz XRMCDUIWDMERRV-MNOVXSKESA-N 1 1 323.353 -1.169 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCO1 ZINC001051752617 678769659 /nfs/dbraw/zinc/76/96/59/678769659.db2.gz MXKRDNXICQVCDW-UWVGGRQHSA-N 1 1 323.357 -2.337 20 0 DAADMO CCc1cc(N2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001051766107 678769975 /nfs/dbraw/zinc/76/99/75/678769975.db2.gz GROUPYXGDNVLBB-MNOVXSKESA-N 1 1 307.354 -1.111 20 0 DAADMO CCc1nc(N2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cc(C)[nH+]1 ZINC001051765874 678770037 /nfs/dbraw/zinc/77/00/37/678770037.db2.gz DLPKIAJZFAHBLO-NXEZZACHSA-N 1 1 307.354 -1.111 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)[nH]1 ZINC001051772598 678770799 /nfs/dbraw/zinc/77/07/99/678770799.db2.gz KCEPWHNQVUVQGT-VIFPVBQESA-N 1 1 321.345 -1.733 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnon3)C2)n1 ZINC001051774145 678770935 /nfs/dbraw/zinc/77/09/35/678770935.db2.gz UKPOROCSKGTGSH-SECBINFHSA-N 1 1 308.302 -1.776 20 0 DAADMO Cn1nnc(C(=O)N2CCO[C@H](C[NH2+]Cc3ncccn3)C2)n1 ZINC001051772888 678771174 /nfs/dbraw/zinc/77/11/74/678771174.db2.gz MFPVAORVNGZTKH-SNVBAGLBSA-N 1 1 318.341 -1.369 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3nnn(C)n3)CCO2)n1 ZINC001051772720 678771212 /nfs/dbraw/zinc/77/12/12/678771212.db2.gz LILIOWBZUPRYEO-JTQLQIEISA-N 1 1 321.345 -2.031 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051791435 678771611 /nfs/dbraw/zinc/77/16/11/678771611.db2.gz AHCDCIXHZHMZFL-GHMZBOCLSA-N 1 1 309.326 -1.327 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051791613 678771636 /nfs/dbraw/zinc/77/16/36/678771636.db2.gz CSHMGDMZHSPDRI-UWVGGRQHSA-N 1 1 323.357 -2.187 20 0 DAADMO O=C(c1c[nH]c(=O)cn1)N1CCO[C@H](C[NH2+]Cc2cnon2)C1 ZINC001051788316 678771674 /nfs/dbraw/zinc/77/16/74/678771674.db2.gz FCCRJDOUGIGBMA-SNVBAGLBSA-N 1 1 320.309 -1.216 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051791438 678771701 /nfs/dbraw/zinc/77/17/01/678771701.db2.gz AHCDCIXHZHMZFL-MNOVXSKESA-N 1 1 309.326 -1.327 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051792933 678772130 /nfs/dbraw/zinc/77/21/30/678772130.db2.gz QKLKSVSUVOGKOA-MWLCHTKSSA-N 1 1 324.341 -1.624 20 0 DAADMO CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)nn1 ZINC001051793744 678772193 /nfs/dbraw/zinc/77/21/93/678772193.db2.gz CMNITYKEUCYYNA-LLVKDONJSA-N 1 1 310.358 -1.339 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001051793357 678772328 /nfs/dbraw/zinc/77/23/28/678772328.db2.gz UTEXICLOKSBXNN-NXEZZACHSA-N 1 1 323.357 -2.187 20 0 DAADMO Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)co1 ZINC001051792611 678772405 /nfs/dbraw/zinc/77/24/05/678772405.db2.gz NKRSXZJDSVJFHQ-VXGBXAGGSA-N 1 1 323.353 -1.019 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001051793361 678772425 /nfs/dbraw/zinc/77/24/25/678772425.db2.gz UTEXICLOKSBXNN-UWVGGRQHSA-N 1 1 323.357 -2.187 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001051794254 678772720 /nfs/dbraw/zinc/77/27/20/678772720.db2.gz IYXZUDLUPIJQKB-LBPRGKRZSA-N 1 1 322.369 -1.510 20 0 DAADMO Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)o1 ZINC001051793952 678772896 /nfs/dbraw/zinc/77/28/96/678772896.db2.gz XWWZEHHZISENHL-QWRGUYRKSA-N 1 1 323.353 -1.019 20 0 DAADMO NC(=O)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc3n2CCCC3)C1 ZINC001051794017 678772988 /nfs/dbraw/zinc/77/29/88/678772988.db2.gz FZWPJJDRHHLOKS-JTQLQIEISA-N 1 1 322.369 -1.583 20 0 DAADMO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C(N)=O)CCO2)[nH]1 ZINC001051794879 678773138 /nfs/dbraw/zinc/77/31/38/678773138.db2.gz VUFVMXXMNAUJAU-SECBINFHSA-N 1 1 310.358 -1.270 20 0 DAADMO Cn1cc(Cl)c(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1 ZINC001051794220 678773206 /nfs/dbraw/zinc/77/32/06/678773206.db2.gz IIBJNKUAOIQCMV-QMMMGPOBSA-N 1 1 315.761 -1.124 20 0 DAADMO CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051794586 678773275 /nfs/dbraw/zinc/77/32/75/678773275.db2.gz PBPVREKKZHKTNC-SECBINFHSA-N 1 1 311.346 -2.115 20 0 DAADMO CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795114 678773506 /nfs/dbraw/zinc/77/35/06/678773506.db2.gz ACKWZCNYXYCDAA-SNVBAGLBSA-N 1 1 310.358 -1.591 20 0 DAADMO CC(C)Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795683 678773513 /nfs/dbraw/zinc/77/35/13/678773513.db2.gz LBQNJGIAHVRCNK-LLVKDONJSA-N 1 1 324.385 -1.264 20 0 DAADMO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)C(N)=O)CCO2)n1C ZINC001051795184 678773591 /nfs/dbraw/zinc/77/35/91/678773591.db2.gz BVXLUDRTVUVNGK-VIFPVBQESA-N 1 1 310.358 -1.820 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)[nH]1 ZINC001051799239 678774264 /nfs/dbraw/zinc/77/42/64/678774264.db2.gz RWGFMOWSMSEWEO-JTQLQIEISA-N 1 1 322.369 -1.304 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001051827594 678774958 /nfs/dbraw/zinc/77/49/58/678774958.db2.gz OJKYFBBUVGDBSC-UTUOFQBUSA-N 1 1 319.365 -1.085 20 0 DAADMO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)[nH]1 ZINC001051827134 678775085 /nfs/dbraw/zinc/77/50/85/678775085.db2.gz JASFSGYRNRFOBS-AXFHLTTASA-N 1 1 322.369 -1.448 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001051826280 678775198 /nfs/dbraw/zinc/77/51/98/678775198.db2.gz AFKAQIXYSCRRAE-AXFHLTTASA-N 1 1 322.369 -1.747 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001051873336 678776390 /nfs/dbraw/zinc/77/63/90/678776390.db2.gz VBSKNBJDSUMCLU-SECBINFHSA-N 1 1 306.330 -1.436 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1)c1nnnn1C ZINC001051873319 678776656 /nfs/dbraw/zinc/77/66/56/678776656.db2.gz UVKCYLZOYZGPFC-RKDXNWHRSA-N 1 1 321.345 -1.480 20 0 DAADMO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CCO1)c1nnnn1C ZINC001051873318 678776723 /nfs/dbraw/zinc/77/67/23/678776723.db2.gz UVKCYLZOYZGPFC-IUCAKERBSA-N 1 1 321.345 -1.480 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H]2CN(C(=O)c3nc[nH]n3)CCO2)n1 ZINC001051872545 678776778 /nfs/dbraw/zinc/77/67/78/678776778.db2.gz LFZJYGNQSLNFKT-JTQLQIEISA-N 1 1 306.330 -1.436 20 0 DAADMO Cn1ncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)n1 ZINC001051867642 678776984 /nfs/dbraw/zinc/77/69/84/678776984.db2.gz MQSRDWSXFIMSDV-VIFPVBQESA-N 1 1 321.345 -2.031 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051876900 678777186 /nfs/dbraw/zinc/77/71/86/678777186.db2.gz VVZASRUXJGMDLN-VIFPVBQESA-N 1 1 307.314 -1.171 20 0 DAADMO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001051876899 678777194 /nfs/dbraw/zinc/77/71/94/678777194.db2.gz VVZASRUXJGMDLN-SECBINFHSA-N 1 1 307.314 -1.171 20 0 DAADMO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1)c1nnnn1C ZINC001051876289 678777277 /nfs/dbraw/zinc/77/72/77/678777277.db2.gz KTSSHYVNEDEQKO-DTWKUNHWSA-N 1 1 322.329 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001051884113 678778331 /nfs/dbraw/zinc/77/83/31/678778331.db2.gz IAHPQULSXZBIJF-JTQLQIEISA-N 1 1 320.357 -1.507 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1 ZINC001051884192 678778379 /nfs/dbraw/zinc/77/83/79/678778379.db2.gz JQWUPOGPVUBSPP-FZMZJTMJSA-N 1 1 324.385 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001051948226 678781151 /nfs/dbraw/zinc/78/11/51/678781151.db2.gz JNKQSHUPKJJSID-NSHDSACASA-N 1 1 320.357 -1.576 20 0 DAADMO CC(=O)N1CC[C@H]([NH+]2CCN(CCN3C(=O)CNC3=O)CC2)C1 ZINC001051963483 678781253 /nfs/dbraw/zinc/78/12/53/678781253.db2.gz VGPDVPCYMWQODV-ZDUSSCGKSA-N 1 1 323.397 -1.223 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CCN(CC(N)=O)CC2)C1 ZINC001051996762 678782571 /nfs/dbraw/zinc/78/25/71/678782571.db2.gz TXNFGBWRQFNVSB-KBPBESRZSA-N 1 1 323.441 -1.216 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(CC(N)=O)CC2)C1 ZINC001051996765 678782724 /nfs/dbraw/zinc/78/27/24/678782724.db2.gz TXNFGBWRQFNVSB-ZIAGYGMSSA-N 1 1 323.441 -1.216 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCN(CC(N)=O)CC2)C1 ZINC001051996764 678782929 /nfs/dbraw/zinc/78/29/29/678782929.db2.gz TXNFGBWRQFNVSB-UONOGXRCSA-N 1 1 323.441 -1.216 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)CC1 ZINC001052186270 678787228 /nfs/dbraw/zinc/78/72/28/678787228.db2.gz GPKFEHJRMPDOHT-WDEREUQCSA-N 1 1 309.374 -1.092 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)CC1 ZINC001052185471 678787278 /nfs/dbraw/zinc/78/72/78/678787278.db2.gz BCKYGVZCDQAWGJ-GHMZBOCLSA-N 1 1 309.374 -1.222 20 0 DAADMO CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)CC2)C1=O ZINC001052188230 678787538 /nfs/dbraw/zinc/78/75/38/678787538.db2.gz REGCJVSNRGTDAX-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO Cn1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)nn1 ZINC001052184603 678787594 /nfs/dbraw/zinc/78/75/94/678787594.db2.gz NPXUMAKTLWSNLA-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)CC2)nn1 ZINC001052184603 678787598 /nfs/dbraw/zinc/78/75/98/678787598.db2.gz NPXUMAKTLWSNLA-NSHDSACASA-N 1 1 319.373 -1.028 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057739950 678789155 /nfs/dbraw/zinc/78/91/55/678789155.db2.gz XOSSNMXEINQKGC-VXGBXAGGSA-N 1 1 301.387 -1.090 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)CC1 ZINC001052325187 678789245 /nfs/dbraw/zinc/78/92/45/678789245.db2.gz HGJKRYYEMOFTQQ-NXEZZACHSA-N 1 1 310.358 -1.172 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001052378729 678789299 /nfs/dbraw/zinc/78/92/99/678789299.db2.gz KLQZNNHJNLABSX-NEPJUHHUSA-N 1 1 321.385 -1.078 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)CC1 ZINC001052382669 678789941 /nfs/dbraw/zinc/78/99/41/678789941.db2.gz RERAJISOVXLXNO-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001052394069 678790101 /nfs/dbraw/zinc/79/01/01/678790101.db2.gz UPUMFKJVKUMFFX-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052380157 678790208 /nfs/dbraw/zinc/79/02/08/678790208.db2.gz UHYBDMAFMKFFRS-NSHDSACASA-N 1 1 321.385 -1.078 20 0 DAADMO Cn1c(=O)ccn(CC(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)c1=O ZINC001052427859 678790692 /nfs/dbraw/zinc/79/06/92/678790692.db2.gz BTLYOSCUQLQKHM-GFCCVEGCSA-N 1 1 324.381 -1.490 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622599 678792970 /nfs/dbraw/zinc/79/29/70/678792970.db2.gz VRHLLQZPPZDCLN-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@@H](CNC(=O)C(N)=O)C1 ZINC001052640431 678793091 /nfs/dbraw/zinc/79/30/91/678793091.db2.gz HZZYIJAWYRIBRX-ONGXEEELSA-N 1 1 307.354 -1.112 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN2CCNC(=O)C2)CC1 ZINC001052622600 678793169 /nfs/dbraw/zinc/79/31/69/678793169.db2.gz VRHLLQZPPZDCLN-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(C)n2)CC1 ZINC001052634491 678793202 /nfs/dbraw/zinc/79/32/02/678793202.db2.gz WVZVYINUWGDDCQ-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001057864336 678796681 /nfs/dbraw/zinc/79/66/81/678796681.db2.gz NFQAWNASIBPZDG-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001057864336 678796684 /nfs/dbraw/zinc/79/66/84/678796684.db2.gz NFQAWNASIBPZDG-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001057864336 678796687 /nfs/dbraw/zinc/79/66/87/678796687.db2.gz NFQAWNASIBPZDG-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057864347 678797071 /nfs/dbraw/zinc/79/70/71/678797071.db2.gz NQMSLSZKQGKKEE-NSHDSACASA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)CC(N)=O)C1CCC1 ZINC001057903308 678798418 /nfs/dbraw/zinc/79/84/18/678798418.db2.gz DFXAECQKGJFTEA-UHFFFAOYSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)c1nnc[nH]1)C1CCC1 ZINC001057903365 678798432 /nfs/dbraw/zinc/79/84/32/678798432.db2.gz GGTWMPFXLDBADR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+](CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1)C1CCC1 ZINC001057903365 678798433 /nfs/dbraw/zinc/79/84/33/678798433.db2.gz GGTWMPFXLDBADR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)c1ncn[nH]1)C1CCC1 ZINC001057903365 678798434 /nfs/dbraw/zinc/79/84/34/678798434.db2.gz GGTWMPFXLDBADR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@H+](CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1)C1CCC1 ZINC001057903365 678798435 /nfs/dbraw/zinc/79/84/35/678798435.db2.gz GGTWMPFXLDBADR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)c1nc[nH]n1)C1CCC1 ZINC001057903365 678798436 /nfs/dbraw/zinc/79/84/36/678798436.db2.gz GGTWMPFXLDBADR-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001057942397 678799428 /nfs/dbraw/zinc/79/94/28/678799428.db2.gz FDZBEZXXTHQBEV-UHFFFAOYSA-N 1 1 316.402 -1.471 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057942568 678799487 /nfs/dbraw/zinc/79/94/87/678799487.db2.gz LXGULEARWOWVJN-UHFFFAOYSA-N 1 1 302.375 -1.861 20 0 DAADMO C[N@H+]1CCC[C@@H]1CCC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057966991 678799998 /nfs/dbraw/zinc/79/99/98/678799998.db2.gz XOGKWNUSNHSDKS-LLVKDONJSA-N 1 1 314.386 -1.717 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)Cn2ccnc2)C1 ZINC001057996780 678801544 /nfs/dbraw/zinc/80/15/44/678801544.db2.gz XRQDRTMFHVFJES-ZDUSSCGKSA-N 1 1 323.397 -1.228 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058058964 678805436 /nfs/dbraw/zinc/80/54/36/678805436.db2.gz KFEAHFRGDSVPJP-UHFFFAOYSA-N 1 1 321.341 -1.439 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)c2cn[nH]n2)C1 ZINC001058059026 678805492 /nfs/dbraw/zinc/80/54/92/678805492.db2.gz MELGHVLRTDIUIK-SNVBAGLBSA-N 1 1 310.358 -1.693 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001058058953 678805523 /nfs/dbraw/zinc/80/55/23/678805523.db2.gz JTBIQWOMCBMIPU-UHFFFAOYSA-N 1 1 312.374 -1.304 20 0 DAADMO Cn1ncc(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001058095685 678807762 /nfs/dbraw/zinc/80/77/62/678807762.db2.gz RBZJKKPBVNZVFF-LLVKDONJSA-N 1 1 324.385 -1.683 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)c1cnon1 ZINC001058110896 678808027 /nfs/dbraw/zinc/80/80/27/678808027.db2.gz AWZHBEXWNBJESW-UHFFFAOYSA-N 1 1 322.325 -1.175 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNC(=O)CC(N)=O ZINC001058111182 678808248 /nfs/dbraw/zinc/80/82/48/678808248.db2.gz OOTQIVLKUQCGIW-UHFFFAOYSA-N 1 1 311.342 -1.996 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)C(N)=O)C1 ZINC001058158093 678809342 /nfs/dbraw/zinc/80/93/42/678809342.db2.gz PPQCFXPVPHOWHP-JTQLQIEISA-N 1 1 300.359 -2.249 20 0 DAADMO COCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058158068 678809536 /nfs/dbraw/zinc/80/95/36/678809536.db2.gz OVLLAFMDPDPEEF-GFCCVEGCSA-N 1 1 301.387 -1.088 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)CNC(N)=O ZINC001058255479 678811999 /nfs/dbraw/zinc/81/19/99/678811999.db2.gz REKVZVWIYLLXQF-UHFFFAOYSA-N 1 1 317.390 -2.066 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cn[nH]n1 ZINC001058257489 678812090 /nfs/dbraw/zinc/81/20/90/678812090.db2.gz XWGRNFFAUMDJON-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058257489 678812091 /nfs/dbraw/zinc/81/20/91/678812091.db2.gz XWGRNFFAUMDJON-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)c1cnn[nH]1 ZINC001058257489 678812093 /nfs/dbraw/zinc/81/20/93/678812093.db2.gz XWGRNFFAUMDJON-UHFFFAOYSA-N 1 1 312.374 -1.303 20 0 DAADMO Cc1nn[nH]c1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058278403 678813195 /nfs/dbraw/zinc/81/31/95/678813195.db2.gz NFXZOPJFESYIMG-UHFFFAOYSA-N 1 1 324.385 -1.240 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)C1 ZINC001067551767 678822917 /nfs/dbraw/zinc/82/29/17/678822917.db2.gz XPNYGOUDQNCVIN-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCN(C)C(=O)C(N)=O)C1 ZINC001067551767 678822921 /nfs/dbraw/zinc/82/29/21/678822921.db2.gz XPNYGOUDQNCVIN-LLVKDONJSA-N 1 1 314.386 -1.501 20 0 DAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000068573858 678828024 /nfs/dbraw/zinc/82/80/24/678828024.db2.gz DVKNOPKGIFYKGA-UHFFFAOYSA-N 1 1 324.381 -1.292 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)C(N)=O)C2)C1 ZINC001068461970 678829817 /nfs/dbraw/zinc/82/98/17/678829817.db2.gz XEJPJJCXOMDQDF-UHFFFAOYSA-N 1 1 312.370 -1.747 20 0 DAADMO CC[N@@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001068991686 678840603 /nfs/dbraw/zinc/84/06/03/678840603.db2.gz APOFZPIDXXLACE-SNVBAGLBSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCc2cnn3c2CN(CC(N)=O)CC3)C1 ZINC001069882782 678844971 /nfs/dbraw/zinc/84/49/71/678844971.db2.gz ZVNFKEUFOXUDCZ-NSHDSACASA-N 1 1 320.397 -1.248 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894254 678844982 /nfs/dbraw/zinc/84/49/82/678844982.db2.gz LPKBQBFRISJWON-MNOVXSKESA-N 1 1 321.345 -2.047 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894254 678844984 /nfs/dbraw/zinc/84/49/84/678844984.db2.gz LPKBQBFRISJWON-MNOVXSKESA-N 1 1 321.345 -2.047 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ccc(=O)[nH]n1 ZINC001069892948 678845086 /nfs/dbraw/zinc/84/50/86/678845086.db2.gz XPUKSFILMLYYNC-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccc(=O)[nH]n1 ZINC001069892948 678845087 /nfs/dbraw/zinc/84/50/87/678845087.db2.gz XPUKSFILMLYYNC-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902313 678845710 /nfs/dbraw/zinc/84/57/10/678845710.db2.gz QOTRDUFWCOFPHP-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069902313 678845712 /nfs/dbraw/zinc/84/57/12/678845712.db2.gz QOTRDUFWCOFPHP-PWSUYJOCSA-N 1 1 305.342 -1.341 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069903562 678845976 /nfs/dbraw/zinc/84/59/76/678845976.db2.gz DGRXONWNMCQORL-ZJUUUORDSA-N 1 1 318.341 -1.702 20 0 DAADMO Nc1nccnc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069903562 678845977 /nfs/dbraw/zinc/84/59/77/678845977.db2.gz DGRXONWNMCQORL-ZJUUUORDSA-N 1 1 318.341 -1.702 20 0 DAADMO CC(C)C[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001069894983 678846205 /nfs/dbraw/zinc/84/62/05/678846205.db2.gz VDPXHNKWTSSATM-NEPJUHHUSA-N 1 1 319.373 -1.038 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069919392 678846488 /nfs/dbraw/zinc/84/64/88/678846488.db2.gz LTNGWIFRXPMNBG-PWSUYJOCSA-N 1 1 320.357 -1.556 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069919392 678846492 /nfs/dbraw/zinc/84/64/92/678846492.db2.gz LTNGWIFRXPMNBG-PWSUYJOCSA-N 1 1 320.357 -1.556 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069919450 678846610 /nfs/dbraw/zinc/84/66/10/678846610.db2.gz PHUBTNKNRZUVOE-FOGDFJRCSA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001069919450 678846611 /nfs/dbraw/zinc/84/66/11/678846611.db2.gz PHUBTNKNRZUVOE-FOGDFJRCSA-N 1 1 320.357 -1.557 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1COC(=O)N1 ZINC001069918577 678846622 /nfs/dbraw/zinc/84/66/22/678846622.db2.gz XVFUEXHSGIMYIT-MXWKQRLJSA-N 1 1 324.341 -1.890 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cnc[nH]c1=O ZINC001069954759 678847921 /nfs/dbraw/zinc/84/79/21/678847921.db2.gz VTXYIDRRHDXPQL-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cnc[nH]c1=O ZINC001069954759 678847925 /nfs/dbraw/zinc/84/79/25/678847925.db2.gz VTXYIDRRHDXPQL-MNOVXSKESA-N 1 1 319.325 -1.579 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1csnn1 ZINC001069989232 678848906 /nfs/dbraw/zinc/84/89/06/678848906.db2.gz HIJMEUZWYDOABK-SCZZXKLOSA-N 1 1 309.355 -1.223 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1csnn1 ZINC001069989232 678848911 /nfs/dbraw/zinc/84/89/11/678848911.db2.gz HIJMEUZWYDOABK-SCZZXKLOSA-N 1 1 309.355 -1.223 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC(=O)NC1 ZINC001069966127 678848997 /nfs/dbraw/zinc/84/89/97/678848997.db2.gz WSBCHPLSQAQQRA-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1CCC(=O)NC1 ZINC001069966127 678849000 /nfs/dbraw/zinc/84/90/00/678849000.db2.gz WSBCHPLSQAQQRA-TUAOUCFPSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1CCNC1=O ZINC001069997644 678849608 /nfs/dbraw/zinc/84/96/08/678849608.db2.gz NEZQDFYRRQJQCI-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011784 678850249 /nfs/dbraw/zinc/85/02/49/678850249.db2.gz SWINACNAMPOEFT-MXWKQRLJSA-N 1 1 323.357 -2.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CNC(=O)N1 ZINC001070011710 678850308 /nfs/dbraw/zinc/85/03/08/678850308.db2.gz QIHYWTNFQRMALN-UTUOFQBUSA-N 1 1 319.369 -1.289 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@]1(F)CCOC1 ZINC001070008267 678850353 /nfs/dbraw/zinc/85/03/53/678850353.db2.gz ZXCIHEDGSJNXMT-NTZNESFSSA-N 1 1 313.333 -1.260 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@]1(F)CCOC1 ZINC001070008267 678850357 /nfs/dbraw/zinc/85/03/57/678850357.db2.gz ZXCIHEDGSJNXMT-NTZNESFSSA-N 1 1 313.333 -1.260 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)[nH]c1=O ZINC001070015106 678851154 /nfs/dbraw/zinc/85/11/54/678851154.db2.gz DWMFWMAGZFYPGA-KOLCDFICSA-N 1 1 321.341 -1.635 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)[nH]c1=O ZINC001070015106 678851161 /nfs/dbraw/zinc/85/11/61/678851161.db2.gz DWMFWMAGZFYPGA-KOLCDFICSA-N 1 1 321.341 -1.635 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070014072 678851324 /nfs/dbraw/zinc/85/13/24/678851324.db2.gz VEXPIVXJVOWQIP-AXFHLTTASA-N 1 1 308.342 -1.859 20 0 DAADMO CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070012779 678851337 /nfs/dbraw/zinc/85/13/37/678851337.db2.gz OBSVUHPARYEFCA-MXWKQRLJSA-N 1 1 307.358 -1.291 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052627 678852343 /nfs/dbraw/zinc/85/23/43/678852343.db2.gz BZRHRCJXKDMXQN-JLLWLGSASA-N 1 1 320.357 -1.557 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052627 678852348 /nfs/dbraw/zinc/85/23/48/678852348.db2.gz BZRHRCJXKDMXQN-JLLWLGSASA-N 1 1 320.357 -1.557 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001070051712 678852409 /nfs/dbraw/zinc/85/24/09/678852409.db2.gz LQHBIKJDVCWYLP-NEPJUHHUSA-N 1 1 320.357 -1.556 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)n1 ZINC001070051712 678852411 /nfs/dbraw/zinc/85/24/11/678852411.db2.gz LQHBIKJDVCWYLP-NEPJUHHUSA-N 1 1 320.357 -1.556 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070052840 678852455 /nfs/dbraw/zinc/85/24/55/678852455.db2.gz OKIVNGMPNXCADT-MNOVXSKESA-N 1 1 306.330 -1.946 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n1 ZINC001070052840 678852457 /nfs/dbraw/zinc/85/24/57/678852457.db2.gz OKIVNGMPNXCADT-MNOVXSKESA-N 1 1 306.330 -1.946 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ccncn1 ZINC001070057263 678852962 /nfs/dbraw/zinc/85/29/62/678852962.db2.gz GMUJXHGSJKMUKB-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccncn1 ZINC001070057263 678852969 /nfs/dbraw/zinc/85/29/69/678852969.db2.gz GMUJXHGSJKMUKB-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058571 678853059 /nfs/dbraw/zinc/85/30/59/678853059.db2.gz KENQTQRHQVEKKT-IEBDPFPHSA-N 1 1 307.314 -1.303 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](n2ccnn2)C1 ZINC001070058571 678853061 /nfs/dbraw/zinc/85/30/61/678853061.db2.gz KENQTQRHQVEKKT-IEBDPFPHSA-N 1 1 307.314 -1.303 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070067532 678853235 /nfs/dbraw/zinc/85/32/35/678853235.db2.gz MKJRYKZCIYJKLL-NEPJUHHUSA-N 1 1 321.341 -1.454 20 0 DAADMO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070067532 678853237 /nfs/dbraw/zinc/85/32/37/678853237.db2.gz MKJRYKZCIYJKLL-NEPJUHHUSA-N 1 1 321.341 -1.454 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070072637 678853862 /nfs/dbraw/zinc/85/38/62/678853862.db2.gz PQYIUTPWBKYUCE-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070072637 678853869 /nfs/dbraw/zinc/85/38/69/678853869.db2.gz PQYIUTPWBKYUCE-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070072637 678853873 /nfs/dbraw/zinc/85/38/73/678853873.db2.gz PQYIUTPWBKYUCE-MNOVXSKESA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070072738 678854032 /nfs/dbraw/zinc/85/40/32/678854032.db2.gz SILFMWVPJQWVRJ-ZJUUUORDSA-N 1 1 306.330 -2.027 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070072738 678854035 /nfs/dbraw/zinc/85/40/35/678854035.db2.gz SILFMWVPJQWVRJ-ZJUUUORDSA-N 1 1 306.330 -2.027 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)C1 ZINC001070097556 678854318 /nfs/dbraw/zinc/85/43/18/678854318.db2.gz ZTQNVNPCTONDSN-UPJWGTAASA-N 1 1 308.386 -1.436 20 0 DAADMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097450 678854531 /nfs/dbraw/zinc/85/45/31/678854531.db2.gz SKMGYUGZENPTBH-MJBXVCDLSA-N 1 1 322.413 -1.046 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070097450 678854534 /nfs/dbraw/zinc/85/45/34/678854534.db2.gz SKMGYUGZENPTBH-MJBXVCDLSA-N 1 1 322.413 -1.046 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070111406 678854778 /nfs/dbraw/zinc/85/47/78/678854778.db2.gz HTSSYKMSNKAJAZ-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001070111406 678854780 /nfs/dbraw/zinc/85/47/80/678854780.db2.gz HTSSYKMSNKAJAZ-MNOVXSKESA-N 1 1 305.342 -1.043 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070146748 678855852 /nfs/dbraw/zinc/85/58/52/678855852.db2.gz DMERCCXNCHSLDH-IEBDPFPHSA-N 1 1 318.341 -1.470 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCC2(NC(=O)C(N)=O)CCOCC2)C1 ZINC001070228795 678861262 /nfs/dbraw/zinc/86/12/62/678861262.db2.gz OGUMMKQFMFDEIW-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001070264436 678863365 /nfs/dbraw/zinc/86/33/65/678863365.db2.gz NJHJWKZDVTYAIH-HLTSFMKQSA-N 1 1 307.314 -3.007 20 0 DAADMO O=C(CCc1c[nH]nn1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070277953 678863667 /nfs/dbraw/zinc/86/36/67/678863667.db2.gz HKTXUXVXXWDAPC-NEPJUHHUSA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(CCc1cnn[nH]1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070277953 678863670 /nfs/dbraw/zinc/86/36/70/678863670.db2.gz HKTXUXVXXWDAPC-NEPJUHHUSA-N 1 1 320.357 -1.637 20 0 DAADMO O=C(NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)[C@H]1COC(=O)N1 ZINC001070407360 678866907 /nfs/dbraw/zinc/86/69/07/678866907.db2.gz DFMQQQFSMVJDOH-GXSJLCMTSA-N 1 1 323.353 -1.084 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001070408725 678867027 /nfs/dbraw/zinc/86/70/27/678867027.db2.gz AOURGGQCTHDJHU-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnon2)C1 ZINC001070430025 678867036 /nfs/dbraw/zinc/86/70/36/678867036.db2.gz YEOFRGRIHRQOGJ-QMMMGPOBSA-N 1 1 319.325 -1.003 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cnon2)C1 ZINC001070430025 678867040 /nfs/dbraw/zinc/86/70/40/678867040.db2.gz YEOFRGRIHRQOGJ-QMMMGPOBSA-N 1 1 319.325 -1.003 20 0 DAADMO Cc1nnc([C@@H]2CN(C(=O)CC(N)=O)CC23C[NH+](CCO)C3)[nH]1 ZINC001070443117 678867696 /nfs/dbraw/zinc/86/76/96/678867696.db2.gz XSGAZUXBODMADD-JTQLQIEISA-N 1 1 322.369 -1.791 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001070919760 678875147 /nfs/dbraw/zinc/87/51/47/678875147.db2.gz TXALMPPIOWFKBD-AEJSXWLSSA-N 1 1 312.326 -2.430 20 0 DAADMO NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001070919760 678875152 /nfs/dbraw/zinc/87/51/52/678875152.db2.gz TXALMPPIOWFKBD-AEJSXWLSSA-N 1 1 312.326 -2.430 20 0 DAADMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001070919381 678875220 /nfs/dbraw/zinc/87/52/20/678875220.db2.gz HSIPVGCXIFCOMM-MXWKQRLJSA-N 1 1 310.354 -1.014 20 0 DAADMO CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907656 678875262 /nfs/dbraw/zinc/87/52/62/678875262.db2.gz VBOPOMHSKNPIAM-MXWKQRLJSA-N 1 1 310.354 -1.012 20 0 DAADMO CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907656 678875265 /nfs/dbraw/zinc/87/52/65/678875265.db2.gz VBOPOMHSKNPIAM-MXWKQRLJSA-N 1 1 310.354 -1.012 20 0 DAADMO NC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCCF)CC1 ZINC001070948183 678877034 /nfs/dbraw/zinc/87/70/34/678877034.db2.gz CLFBXKCKKUEDLB-UHFFFAOYSA-N 1 1 302.350 -1.128 20 0 DAADMO NC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCCF)CC1 ZINC001070948183 678877036 /nfs/dbraw/zinc/87/70/36/678877036.db2.gz CLFBXKCKKUEDLB-UHFFFAOYSA-N 1 1 302.350 -1.128 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001070950347 678878036 /nfs/dbraw/zinc/87/80/36/678878036.db2.gz UASMEHGHFRYKFK-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001070950347 678878039 /nfs/dbraw/zinc/87/80/39/678878039.db2.gz UASMEHGHFRYKFK-GFCCVEGCSA-N 1 1 323.397 -1.017 20 0 DAADMO O=C(Cn1ncnn1)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070964769 678878840 /nfs/dbraw/zinc/87/88/40/678878840.db2.gz YQGKHEWVNBLUPJ-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO C[C@H](F)CC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993471 678880422 /nfs/dbraw/zinc/88/04/22/678880422.db2.gz BRCZLPNWAGSIRV-JTQLQIEISA-N 1 1 302.350 -1.130 20 0 DAADMO C[C@H](F)CC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993471 678880424 /nfs/dbraw/zinc/88/04/24/678880424.db2.gz BRCZLPNWAGSIRV-JTQLQIEISA-N 1 1 302.350 -1.130 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001070993128 678880493 /nfs/dbraw/zinc/88/04/93/678880493.db2.gz MXCQEMDSKZZYNH-LLVKDONJSA-N 1 1 322.369 -1.033 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 ZINC001071019368 678881730 /nfs/dbraw/zinc/88/17/30/678881730.db2.gz ICBSVAPYBMPZKW-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cncn2)CC1 ZINC001071019368 678881733 /nfs/dbraw/zinc/88/17/33/678881733.db2.gz ICBSVAPYBMPZKW-GFCCVEGCSA-N 1 1 324.385 -1.691 20 0 DAADMO C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010465 678882044 /nfs/dbraw/zinc/88/20/44/678882044.db2.gz MKAUUUJPKWQDKB-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010465 678882046 /nfs/dbraw/zinc/88/20/46/678882046.db2.gz MKAUUUJPKWQDKB-LBPRGKRZSA-N 1 1 323.397 -1.017 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001071146888 678883630 /nfs/dbraw/zinc/88/36/30/678883630.db2.gz LYJJHEANVCNPMM-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001071146888 678883633 /nfs/dbraw/zinc/88/36/33/678883633.db2.gz LYJJHEANVCNPMM-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@H]1CN(C(=O)Cn2cnnn2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071134387 678883645 /nfs/dbraw/zinc/88/36/45/678883645.db2.gz QVNDFBHGXGGPOY-GXTWGEPZSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)Cn2ncnn2)C[C@]2(CC[N@@H+](CCCO)C2)O1 ZINC001071169106 678883855 /nfs/dbraw/zinc/88/38/55/678883855.db2.gz MGVGQQWJPTWAJR-GXTWGEPZSA-N 1 1 324.385 -1.253 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071182431 678884710 /nfs/dbraw/zinc/88/47/10/678884710.db2.gz AYJSKESYDUQNEV-IINYFYTJSA-N 1 1 322.369 -1.144 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071182431 678884711 /nfs/dbraw/zinc/88/47/11/678884711.db2.gz AYJSKESYDUQNEV-IINYFYTJSA-N 1 1 322.369 -1.144 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206323 678885323 /nfs/dbraw/zinc/88/53/23/678885323.db2.gz IIHPUFKSNUFHAW-ZUZCIYMTSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)O1 ZINC001071206323 678885325 /nfs/dbraw/zinc/88/53/25/678885325.db2.gz IIHPUFKSNUFHAW-ZUZCIYMTSA-N 1 1 324.381 -1.558 20 0 DAADMO C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@]2(CC[N@@H+](CCO)C2)O1 ZINC001071222929 678886410 /nfs/dbraw/zinc/88/64/10/678886410.db2.gz HLKOSQYKAVGSDZ-TZMCWYRMSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@H]1CN(C(=O)CCn2cnnn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071222927 678886434 /nfs/dbraw/zinc/88/64/34/678886434.db2.gz HLKOSQYKAVGSDZ-JSGCOSHPSA-N 1 1 324.385 -1.253 20 0 DAADMO C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@]2(CC[N@@H+](CCO)C2)O1 ZINC001071239170 678886447 /nfs/dbraw/zinc/88/64/47/678886447.db2.gz XKNWRGXDUTUYRX-OCCSQVGLSA-N 1 1 309.370 -1.038 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071340792 678887962 /nfs/dbraw/zinc/88/79/62/678887962.db2.gz UHYIFDJRWJMRCQ-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071340792 678887963 /nfs/dbraw/zinc/88/79/63/678887963.db2.gz UHYIFDJRWJMRCQ-ZYHUDNBSSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071341056 678888072 /nfs/dbraw/zinc/88/80/72/678888072.db2.gz XSXFMBRPMPOMQL-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071341056 678888074 /nfs/dbraw/zinc/88/80/74/678888074.db2.gz XSXFMBRPMPOMQL-VXGBXAGGSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)N1CCC1 ZINC001071509177 678889755 /nfs/dbraw/zinc/88/97/55/678889755.db2.gz ZEKYOVXPYPBLBO-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)N1CCC1 ZINC001071509177 678889758 /nfs/dbraw/zinc/88/97/58/678889758.db2.gz ZEKYOVXPYPBLBO-RYUDHWBXSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCO ZINC001071518319 678890357 /nfs/dbraw/zinc/89/03/57/678890357.db2.gz ODCIEKJTJKBQNN-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@@H+]1CC(=O)NC1CC1 ZINC001071514335 678890389 /nfs/dbraw/zinc/89/03/89/678890389.db2.gz MKTSZUDLQCOSFZ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)C[N@H+]1CC(=O)NC1CC1 ZINC001071514335 678890392 /nfs/dbraw/zinc/89/03/92/678890392.db2.gz MKTSZUDLQCOSFZ-JQWIXIFHSA-N 1 1 321.385 -1.079 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCO ZINC001071518320 678890467 /nfs/dbraw/zinc/89/04/67/678890467.db2.gz ODCIEKJTJKBQNN-UWVGGRQHSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071518133 678890530 /nfs/dbraw/zinc/89/05/30/678890530.db2.gz MUIHGONJWAUTFK-QWRGUYRKSA-N 1 1 324.385 -1.008 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C[N@H+]1CCCO ZINC001071519637 678890992 /nfs/dbraw/zinc/89/09/92/678890992.db2.gz ZAEJBPFVYURNML-QWRGUYRKSA-N 1 1 324.385 -1.272 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[N@H+]1CCO ZINC001071549468 678891001 /nfs/dbraw/zinc/89/10/01/678891001.db2.gz RBFRZBDBBHQSTF-NWDGAFQWSA-N 1 1 319.427 -1.017 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)C[N@H+]1CCO ZINC001071549470 678891067 /nfs/dbraw/zinc/89/10/67/678891067.db2.gz RBFRZBDBBHQSTF-VXGBXAGGSA-N 1 1 319.427 -1.017 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001071552915 678891698 /nfs/dbraw/zinc/89/16/98/678891698.db2.gz GNBQFFXEJVDMCG-NEPJUHHUSA-N 1 1 323.401 -1.022 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001071581998 678894795 /nfs/dbraw/zinc/89/47/95/678894795.db2.gz QICQMVNMGXNXBC-WDEREUQCSA-N 1 1 313.402 -1.042 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@@H+]1CC(N)=O ZINC001071659909 678895885 /nfs/dbraw/zinc/89/58/85/678895885.db2.gz MMRIDCFPNPFGQQ-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C[N@H+]1CC(N)=O ZINC001071659909 678895887 /nfs/dbraw/zinc/89/58/87/678895887.db2.gz MMRIDCFPNPFGQQ-VHSXEESVSA-N 1 1 323.353 -1.597 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CC(N)=O ZINC001071738755 678897530 /nfs/dbraw/zinc/89/75/30/678897530.db2.gz HTTQORBOLDGKSR-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CC(N)=O ZINC001071738755 678897534 /nfs/dbraw/zinc/89/75/34/678897534.db2.gz HTTQORBOLDGKSR-GHMZBOCLSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CC(N)=O ZINC001071738756 678897830 /nfs/dbraw/zinc/89/78/30/678897830.db2.gz HTTQORBOLDGKSR-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CC(N)=O ZINC001071738756 678897833 /nfs/dbraw/zinc/89/78/33/678897833.db2.gz HTTQORBOLDGKSR-MNOVXSKESA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@@H+]1CC(N)=O ZINC001071738757 678897935 /nfs/dbraw/zinc/89/79/35/678897935.db2.gz HTTQORBOLDGKSR-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C[N@H+]1CC(N)=O ZINC001071738757 678897937 /nfs/dbraw/zinc/89/79/37/678897937.db2.gz HTTQORBOLDGKSR-QWRGUYRKSA-N 1 1 311.386 -2.127 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C[N@H+]1CCO ZINC001071989531 678903200 /nfs/dbraw/zinc/90/32/00/678903200.db2.gz QDELJDWQKGHXGN-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001072058882 678905057 /nfs/dbraw/zinc/90/50/57/678905057.db2.gz UKKWCFXUAMCKHD-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001072058882 678905059 /nfs/dbraw/zinc/90/50/59/678905059.db2.gz UKKWCFXUAMCKHD-WDEREUQCSA-N 1 1 324.381 -1.150 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001072061823 678905082 /nfs/dbraw/zinc/90/50/82/678905082.db2.gz JTFBWBVDHGKRBE-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001072061823 678905086 /nfs/dbraw/zinc/90/50/86/678905086.db2.gz JTFBWBVDHGKRBE-NXEZZACHSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001072061825 678905122 /nfs/dbraw/zinc/90/51/22/678905122.db2.gz JTFBWBVDHGKRBE-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001072061825 678905125 /nfs/dbraw/zinc/90/51/25/678905125.db2.gz JTFBWBVDHGKRBE-VHSXEESVSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001072061826 678905236 /nfs/dbraw/zinc/90/52/36/678905236.db2.gz JTFBWBVDHGKRBE-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001072061826 678905238 /nfs/dbraw/zinc/90/52/38/678905238.db2.gz JTFBWBVDHGKRBE-ZJUUUORDSA-N 1 1 310.354 -1.410 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)n1C ZINC001152713125 782193399 /nfs/dbraw/zinc/19/33/99/782193399.db2.gz RMJPMTMNLYEXHF-UHFFFAOYSA-N 1 1 322.373 -1.360 20 0 DAADMO CN1C[C@]2(CC1=O)COCC[N@H+](CC(=O)N1CCN(C)CC1)C2 ZINC001273836161 782199991 /nfs/dbraw/zinc/19/99/91/782199991.db2.gz OJMYGUXSKMUOQS-INIZCTEOSA-N 1 1 324.425 -1.059 20 0 DAADMO CN1C[C@]2(CC1=O)COCC[N@@H+](CC(=O)N1CCN(C)CC1)C2 ZINC001273836161 782199997 /nfs/dbraw/zinc/19/99/97/782199997.db2.gz OJMYGUXSKMUOQS-INIZCTEOSA-N 1 1 324.425 -1.059 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201120000 782212828 /nfs/dbraw/zinc/21/28/28/782212828.db2.gz KKUHWQSWLMAIBR-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO Cn1ncc2c1cccc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001201306576 782216092 /nfs/dbraw/zinc/21/60/92/782216092.db2.gz UPVAAVKIQTUWNH-FRRDWIJNSA-N 1 1 301.354 -1.294 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1 ZINC001201429959 782217197 /nfs/dbraw/zinc/21/71/97/782217197.db2.gz JNUAQQVOPHHNNV-LBPRGKRZSA-N 1 1 324.385 -1.310 20 0 DAADMO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1 ZINC001201429959 782217204 /nfs/dbraw/zinc/21/72/04/782217204.db2.gz JNUAQQVOPHHNNV-LBPRGKRZSA-N 1 1 324.385 -1.310 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110567046 782219189 /nfs/dbraw/zinc/21/91/89/782219189.db2.gz WOJPLBCUDUVYIU-KKOKHZNYSA-N 1 1 310.358 -1.598 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]nn2)CCCO1)C(N)=O ZINC001201431474 782219374 /nfs/dbraw/zinc/21/93/74/782219374.db2.gz XTKXLDPYSQDYPV-ZYHUDNBSSA-N 1 1 324.385 -1.182 20 0 DAADMO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2cnn[nH]2)CCCO1)C(N)=O ZINC001201431474 782219378 /nfs/dbraw/zinc/21/93/78/782219378.db2.gz XTKXLDPYSQDYPV-ZYHUDNBSSA-N 1 1 324.385 -1.182 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110567047 782219714 /nfs/dbraw/zinc/21/97/14/782219714.db2.gz WOJPLBCUDUVYIU-KXNHARMFSA-N 1 1 310.358 -1.598 20 0 DAADMO CCn1ncnc1C[NH2+]CC1(NC(=O)CC(N)=O)CCOCC1 ZINC001273959531 782236641 /nfs/dbraw/zinc/23/66/41/782236641.db2.gz SFTLEIBCKYBRNU-UHFFFAOYSA-N 1 1 324.385 -1.072 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209188 782237024 /nfs/dbraw/zinc/23/70/24/782237024.db2.gz RLARVEHEUQVCJI-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115209188 782237032 /nfs/dbraw/zinc/23/70/32/782237032.db2.gz RLARVEHEUQVCJI-YABSGUDNSA-N 1 1 306.370 -1.149 20 0 DAADMO Cn1ncc(C[NH2+]CC2(NC(=O)CC(N)=O)CCOCC2)n1 ZINC001273957744 782237526 /nfs/dbraw/zinc/23/75/26/782237526.db2.gz GPIZYEFJABWJDV-UHFFFAOYSA-N 1 1 310.358 -1.555 20 0 DAADMO C[C@@]1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CCS(=O)(=O)N1 ZINC001115169480 782234592 /nfs/dbraw/zinc/23/45/92/782234592.db2.gz GECASHGCOYLMJX-YGNMPJRFSA-N 1 1 317.411 -1.503 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001110631551 782234833 /nfs/dbraw/zinc/23/48/33/782234833.db2.gz CBPFUWADUKIUOH-WYUUTHIRSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001110631551 782234841 /nfs/dbraw/zinc/23/48/41/782234841.db2.gz CBPFUWADUKIUOH-WYUUTHIRSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC ZINC001110630735 782235220 /nfs/dbraw/zinc/23/52/20/782235220.db2.gz RHJUFKSNJSTDMX-KXNHARMFSA-N 1 1 314.386 -1.356 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001110630511 782235305 /nfs/dbraw/zinc/23/53/05/782235305.db2.gz GYCYVIHKEXKKET-ZNSHCXBVSA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001110630511 782235309 /nfs/dbraw/zinc/23/53/09/782235309.db2.gz GYCYVIHKEXKKET-ZNSHCXBVSA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001110631550 782235553 /nfs/dbraw/zinc/23/55/53/782235553.db2.gz CBPFUWADUKIUOH-WISYIIOYSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001110631550 782235559 /nfs/dbraw/zinc/23/55/59/782235559.db2.gz CBPFUWADUKIUOH-WISYIIOYSA-N 1 1 323.397 -1.132 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001114378605 782244261 /nfs/dbraw/zinc/24/42/61/782244261.db2.gz MGEOLSYBGWRITN-SVDPJWKOSA-N 1 1 311.386 -1.562 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001114379268 782244516 /nfs/dbraw/zinc/24/45/16/782244516.db2.gz WUAKDXFSXQNHLK-GOONRYMUSA-N 1 1 323.397 -1.371 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cncn1 ZINC001115215224 782238215 /nfs/dbraw/zinc/23/82/15/782238215.db2.gz ZELOCGDAIBRWAA-YABSGUDNSA-N 1 1 306.370 -1.197 20 0 DAADMO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O)C1CC1 ZINC001115214792 782238352 /nfs/dbraw/zinc/23/83/52/782238352.db2.gz PWAXCVGQKQYKNB-YABSGUDNSA-N 1 1 323.397 -1.288 20 0 DAADMO CCNC(=O)CC(=O)NC/C=C\C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001273965603 782238388 /nfs/dbraw/zinc/23/83/88/782238388.db2.gz IIPGMUVVZWJQIS-PLNGDYQASA-N 1 1 310.358 -1.603 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114317861 782240211 /nfs/dbraw/zinc/24/02/11/782240211.db2.gz ZYCOBQAVDWJQLU-CIQGVGRVSA-N 1 1 313.398 -1.044 20 0 DAADMO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)S(C)(=O)=O ZINC001114363710 782241596 /nfs/dbraw/zinc/24/15/96/782241596.db2.gz JEQCHXCHXCHJFH-VROVMSAKSA-N 1 1 304.372 -2.591 20 0 DAADMO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)S(C)(=O)=O ZINC001114363710 782241604 /nfs/dbraw/zinc/24/16/04/782241604.db2.gz JEQCHXCHXCHJFH-VROVMSAKSA-N 1 1 304.372 -2.591 20 0 DAADMO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC001114363992 782241685 /nfs/dbraw/zinc/24/16/85/782241685.db2.gz OFECRUZQISNMKY-MEWQQHAOSA-N 1 1 319.427 -1.041 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114376508 782242840 /nfs/dbraw/zinc/24/28/40/782242840.db2.gz MVRDTGZIWARHJC-SRRSOLGSSA-N 1 1 323.397 -1.417 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114374350 782242919 /nfs/dbraw/zinc/24/29/19/782242919.db2.gz RFUWLJLFJHJAMW-IAZYJMLFSA-N 1 1 307.358 -1.710 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114374350 782242925 /nfs/dbraw/zinc/24/29/25/782242925.db2.gz RFUWLJLFJHJAMW-IAZYJMLFSA-N 1 1 307.358 -1.710 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001114378606 782243778 /nfs/dbraw/zinc/24/37/78/782243778.db2.gz MGEOLSYBGWRITN-UXCLJVHYSA-N 1 1 311.386 -1.562 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001114372382 782244102 /nfs/dbraw/zinc/24/41/02/782244102.db2.gz VRLWGFLGWBMUEG-PJXYFTJBSA-N 1 1 306.370 -1.105 20 0 DAADMO O=C(CCCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114399492 782245881 /nfs/dbraw/zinc/24/58/81/782245881.db2.gz RCJBWDCQSMWVAZ-KZVDOYCCSA-N 1 1 318.381 -1.007 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cc2n(n1)CCO2 ZINC001114411993 782246485 /nfs/dbraw/zinc/24/64/85/782246485.db2.gz OMPSMXKCOYTUHV-YABSGUDNSA-N 1 1 322.365 -1.056 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC001114420118 782246829 /nfs/dbraw/zinc/24/68/29/782246829.db2.gz BLPKZKPLQDGXJX-KZWBYHQPSA-N 1 1 322.365 -1.552 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001115249694 782247111 /nfs/dbraw/zinc/24/71/11/782247111.db2.gz KJXIDIBJWGIIHV-UXCLJVHYSA-N 1 1 305.400 -1.383 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC001114411986 782247143 /nfs/dbraw/zinc/24/71/43/782247143.db2.gz OJBPSWOXZNRWES-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCOCC1=O ZINC001114411986 782247146 /nfs/dbraw/zinc/24/71/46/782247146.db2.gz OJBPSWOXZNRWES-HBYGRHMLSA-N 1 1 324.381 -1.972 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CCNC1=O ZINC001114423600 782247237 /nfs/dbraw/zinc/24/72/37/782247237.db2.gz PINDCPUZMSOOLT-GOMXZESMSA-N 1 1 308.382 -1.305 20 0 DAADMO CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CCNC1=O ZINC001114423600 782247243 /nfs/dbraw/zinc/24/72/43/782247243.db2.gz PINDCPUZMSOOLT-GOMXZESMSA-N 1 1 308.382 -1.305 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114420785 782247260 /nfs/dbraw/zinc/24/72/60/782247260.db2.gz IZVJYWNOSJEUND-QNSTZXKLSA-N 1 1 314.382 -1.154 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC001114423182 782247294 /nfs/dbraw/zinc/24/72/94/782247294.db2.gz LSZUCWWQTFLOHW-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)n(C)cn1 ZINC001114423182 782247301 /nfs/dbraw/zinc/24/73/01/782247301.db2.gz LSZUCWWQTFLOHW-MSRIBSCDSA-N 1 1 319.365 -1.424 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114431607 782247579 /nfs/dbraw/zinc/24/75/79/782247579.db2.gz QKZXDEYVAXOQIV-JZYVYDRUSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114431607 782247588 /nfs/dbraw/zinc/24/75/88/782247588.db2.gz QKZXDEYVAXOQIV-JZYVYDRUSA-N 1 1 320.353 -1.417 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001114433014 782247704 /nfs/dbraw/zinc/24/77/04/782247704.db2.gz GMCWZJXBBIXHLW-WYOJIJJFSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001114433014 782247710 /nfs/dbraw/zinc/24/77/10/782247710.db2.gz GMCWZJXBBIXHLW-WYOJIJJFSA-N 1 1 323.353 -2.246 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001114434057 782247796 /nfs/dbraw/zinc/24/77/96/782247796.db2.gz PVVXLKJYCAPYIO-MEWQQHAOSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCNC1=O ZINC001114434057 782247806 /nfs/dbraw/zinc/24/78/06/782247806.db2.gz PVVXLKJYCAPYIO-MEWQQHAOSA-N 1 1 308.382 -1.305 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001114405652 782245318 /nfs/dbraw/zinc/24/53/18/782245318.db2.gz XOYGGFUIJRJYSY-KZVDOYCCSA-N 1 1 320.397 -1.655 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114436587 782249224 /nfs/dbraw/zinc/24/92/24/782249224.db2.gz KDAMZJOMCGIXGI-QCBRBAQYSA-N 1 1 322.365 -1.651 20 0 DAADMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[C@H]1CCCNC1=O ZINC001114434535 782248195 /nfs/dbraw/zinc/24/81/95/782248195.db2.gz YVAMPXFHVPWEOC-WUHRBBMRSA-N 1 1 311.382 -1.432 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114445925 782248652 /nfs/dbraw/zinc/24/86/52/782248652.db2.gz ZIZZWFHCVWSQTP-MSRIBSCDSA-N 1 1 307.354 -1.532 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114445925 782248659 /nfs/dbraw/zinc/24/86/59/782248659.db2.gz ZIZZWFHCVWSQTP-MSRIBSCDSA-N 1 1 307.354 -1.532 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114438591 782249428 /nfs/dbraw/zinc/24/94/28/782249428.db2.gz FCXJFOIUPVLLDR-URLYPYJESA-N 1 1 323.397 -1.431 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001115253380 782250031 /nfs/dbraw/zinc/25/00/31/782250031.db2.gz AASWZEBLAJSBDU-UXCLJVHYSA-N 1 1 305.400 -1.383 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115254389 782250991 /nfs/dbraw/zinc/25/09/91/782250991.db2.gz MDAUJCQFWBSXGE-WYOJIJJFSA-N 1 1 318.399 -2.284 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114481028 782251325 /nfs/dbraw/zinc/25/13/25/782251325.db2.gz UVVMFRFQKHXXMG-YABSGUDNSA-N 1 1 314.361 -1.355 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001114480731 782251545 /nfs/dbraw/zinc/25/15/45/782251545.db2.gz SWGACHUWYTUDHH-HJUHTLPRSA-N 1 1 312.370 -2.334 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114478582 782251562 /nfs/dbraw/zinc/25/15/62/782251562.db2.gz YAOLIXQIPSZWCF-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114478582 782251567 /nfs/dbraw/zinc/25/15/67/782251567.db2.gz YAOLIXQIPSZWCF-PJXYFTJBSA-N 1 1 320.411 -1.524 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001114480729 782251686 /nfs/dbraw/zinc/25/16/86/782251686.db2.gz SWGACHUWYTUDHH-GJTWSCIVSA-N 1 1 312.370 -2.334 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946656 782254863 /nfs/dbraw/zinc/25/48/63/782254863.db2.gz JMGHLKOZBITQAM-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000871972484 782253162 /nfs/dbraw/zinc/25/31/62/782253162.db2.gz IJEDEADDXFSMRU-NSHDSACASA-N 1 1 309.432 -1.068 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337486 782257329 /nfs/dbraw/zinc/25/73/29/782257329.db2.gz YDVLJVQURPYOGZ-UTLUCORTSA-N 1 1 308.342 -1.549 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001095337486 782257334 /nfs/dbraw/zinc/25/73/34/782257334.db2.gz YDVLJVQURPYOGZ-UTLUCORTSA-N 1 1 308.342 -1.549 20 0 DAADMO CC(=O)NCCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273999434 782257967 /nfs/dbraw/zinc/25/79/67/782257967.db2.gz KIWZJNXCNJJCOO-OAHLLOKOSA-N 1 1 312.414 -1.013 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001098362062 782259463 /nfs/dbraw/zinc/25/94/63/782259463.db2.gz KWRMOHFIOPOIDV-UHFFFAOYSA-N 1 1 324.385 -1.540 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095327684 782255803 /nfs/dbraw/zinc/25/58/03/782255803.db2.gz AFWLBHSDZDYJFG-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCOCC1)C2 ZINC001095327684 782255810 /nfs/dbraw/zinc/25/58/10/782255810.db2.gz AFWLBHSDZDYJFG-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001099946992 782255997 /nfs/dbraw/zinc/25/59/97/782255997.db2.gz OSWXSUVOJTWUER-UWVGGRQHSA-N 1 1 314.346 -2.616 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(Cc3nncn3C)C2=O)C1 ZINC001274072942 782263137 /nfs/dbraw/zinc/26/31/37/782263137.db2.gz IWOJNCMHNLWVIG-AWEZNQCLSA-N 1 1 306.370 -1.015 20 0 DAADMO CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061002 782262677 /nfs/dbraw/zinc/26/26/77/782262677.db2.gz DMEPJZKCYMCZOW-OAHLLOKOSA-N 1 1 324.381 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274074062 782262902 /nfs/dbraw/zinc/26/29/02/782262902.db2.gz RVLKNVHGDQOMEB-NHYWBVRUSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072902 782264270 /nfs/dbraw/zinc/26/42/70/782264270.db2.gz IJIVJNGWHLEFEA-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C[C@@H]1CCC(=O)N1)C(=O)CO2 ZINC001274072902 782264279 /nfs/dbraw/zinc/26/42/79/782264279.db2.gz IJIVJNGWHLEFEA-XHDPSFHLSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cc(C[NH2+]C/C=C/CNC(=O)c2cc(=O)n(C)cn2)nn1 ZINC001274096760 782264882 /nfs/dbraw/zinc/26/48/82/782264882.db2.gz ILKWVZKMHUKVOR-ONEGZZNKSA-N 1 1 317.353 -1.015 20 0 DAADMO Cn1[nH]c(C[NH2+]CC=CCNC(=O)c2cn[nH]c(=O)c2)nc1=O ZINC001274111812 782265677 /nfs/dbraw/zinc/26/56/77/782265677.db2.gz CVLLUJSRRBJRGY-NSCUHMNNSA-N 1 1 319.325 -1.320 20 0 DAADMO NC(=O)C[N@H+]1CCC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274060714 782263311 /nfs/dbraw/zinc/26/33/11/782263311.db2.gz AOPHJIKLNCPNCP-MEBBXXQBSA-N 1 1 322.365 -1.409 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110861668 782268800 /nfs/dbraw/zinc/26/88/00/782268800.db2.gz ZKUZTGNJSRVOEZ-BBBLOLIVSA-N 1 1 306.388 -2.246 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC[N@H+](CC(=O)NC)C2)OCC1=O ZINC001274074779 782265969 /nfs/dbraw/zinc/26/59/69/782265969.db2.gz ZZAWDUJINMUIPC-CQSZACIVSA-N 1 1 312.370 -1.828 20 0 DAADMO CCNC(=O)CN1C[C@]2(CC[N@@H+](CC(=O)NC)C2)OCC1=O ZINC001274074779 782265979 /nfs/dbraw/zinc/26/59/79/782265979.db2.gz ZZAWDUJINMUIPC-CQSZACIVSA-N 1 1 312.370 -1.828 20 0 DAADMO Cn1cncc1C(=O)NC/C=C/C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001274172914 782267075 /nfs/dbraw/zinc/26/70/75/782267075.db2.gz CDKNSMFQPRZUIH-ONEGZZNKSA-N 1 1 305.342 -1.082 20 0 DAADMO CN(CC[NH2+]CC=CCNC(=O)c1cnn[nH]1)S(C)(=O)=O ZINC001274161825 782267801 /nfs/dbraw/zinc/26/78/01/782267801.db2.gz JQGUUGYTBNOBIL-ONEGZZNKSA-N 1 1 316.387 -1.428 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)[C@]2(C)CCNC2=O)nc1=O ZINC001274359532 782275773 /nfs/dbraw/zinc/27/57/73/782275773.db2.gz DUTBLRFCXKWLNH-XGACYXMMSA-N 1 1 322.369 -1.603 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCn2c(C(N)=O)cnc2C1 ZINC001274233902 782270331 /nfs/dbraw/zinc/27/03/31/782270331.db2.gz SPORFRIYELXYIE-LLVKDONJSA-N 1 1 306.370 -1.430 20 0 DAADMO CC[N@@H+](C[C@H](C)OC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469087 782271100 /nfs/dbraw/zinc/27/11/00/782271100.db2.gz KZTJOMHRYIWMRE-MNOVXSKESA-N 1 1 324.447 -1.098 20 0 DAADMO Cn1ccc(C[NH2+]C/C=C/CNC(=O)CN2CCNC(=O)C2)n1 ZINC001274252971 782271845 /nfs/dbraw/zinc/27/18/45/782271845.db2.gz GSVHOJGFQBYSLA-NSCUHMNNSA-N 1 1 320.397 -1.386 20 0 DAADMO COc1cncc(C[NH2+]CC=CCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001274326462 782274637 /nfs/dbraw/zinc/27/46/37/782274637.db2.gz XEJNHRPTWFIEDS-KXMPLOMGSA-N 1 1 320.353 -1.071 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)[C@@]2(C)CCNC2=O)nc1=O ZINC001274359530 782274678 /nfs/dbraw/zinc/27/46/78/782274678.db2.gz DUTBLRFCXKWLNH-RDFMZFSFSA-N 1 1 322.369 -1.603 20 0 DAADMO CC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2C[C@H]1CCC(=O)N1 ZINC001274552542 782282130 /nfs/dbraw/zinc/28/21/30/782282130.db2.gz JENLEDSAVASTIN-VXGBXAGGSA-N 1 1 311.382 -1.051 20 0 DAADMO CCc1nnc(C[NH2+]CC2(O)CCN(C(=O)C(N)=O)CC2)o1 ZINC001274550003 782282261 /nfs/dbraw/zinc/28/22/61/782282261.db2.gz JLUBBMGAPDTABW-UHFFFAOYSA-N 1 1 311.342 -1.440 20 0 DAADMO CN1C[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)OCC1=O ZINC001274541343 782282322 /nfs/dbraw/zinc/28/23/22/782282322.db2.gz NMNFKEXZQGPRQK-HIFRSBDPSA-N 1 1 313.398 -1.387 20 0 DAADMO O=C1CO[C@]2(CC[N@H+](C[C@H](O)CO)C2)CN1Cc1ncccn1 ZINC001274564677 782282817 /nfs/dbraw/zinc/28/28/17/782282817.db2.gz LLMNYPIEFUAVFA-WFASDCNBSA-N 1 1 322.365 -1.367 20 0 DAADMO COCCCN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563833 782282870 /nfs/dbraw/zinc/28/28/70/782282870.db2.gz CEBRDSGTYUAKAE-JSGCOSHPSA-N 1 1 302.371 -1.321 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568016 782282968 /nfs/dbraw/zinc/28/29/68/782282968.db2.gz UEIMUXLNXDNEKU-SCDSUCTJSA-N 1 1 300.355 -1.380 20 0 DAADMO CCNC(=O)CN1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274565341 782283055 /nfs/dbraw/zinc/28/30/55/782283055.db2.gz PRNZQAQSQOISEC-FZMZJTMJSA-N 1 1 315.370 -2.221 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274563812 782283371 /nfs/dbraw/zinc/28/33/71/782283371.db2.gz CAYDSZUEYFLSIW-COPLHBTASA-N 1 1 315.370 -2.093 20 0 DAADMO CC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)OCC1=O ZINC001274568015 782283797 /nfs/dbraw/zinc/28/37/97/782283797.db2.gz UEIMUXLNXDNEKU-OSMZGAPFSA-N 1 1 300.355 -1.380 20 0 DAADMO CCOCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)CO)C2 ZINC001274566218 782284275 /nfs/dbraw/zinc/28/42/75/782284275.db2.gz MSGPLIDSRFMVTI-DZGCQCFKSA-N 1 1 316.398 -1.073 20 0 DAADMO CC(C)(O)C[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274595687 782284521 /nfs/dbraw/zinc/28/45/21/782284521.db2.gz SBOIEILHYSJTHS-NSHDSACASA-N 1 1 311.382 -1.051 20 0 DAADMO CCOC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001274568715 782284726 /nfs/dbraw/zinc/28/47/26/782284726.db2.gz XQHGWDXUQWXJRI-LBPRGKRZSA-N 1 1 300.355 -1.304 20 0 DAADMO O=C1CC[C@@H](CN2CC[C@@]3(CC[N@H+](C[C@H](O)CO)C3)C2=O)N1 ZINC001274569538 782285044 /nfs/dbraw/zinc/28/50/44/782285044.db2.gz FKGLKCAXKFWFJB-SLEUVZQESA-N 1 1 311.382 -1.457 20 0 DAADMO CNC(=O)C(C)(C)N1CC[C@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274569789 782285259 /nfs/dbraw/zinc/28/52/59/782285259.db2.gz MOAASSFWMXWBAO-XHDPSFHLSA-N 1 1 313.398 -1.069 20 0 DAADMO Cn1cnnc1CN1C(=O)COCC12C[NH+](CC(C)(C)O)C2 ZINC001274594924 782285444 /nfs/dbraw/zinc/28/54/44/782285444.db2.gz IXFKTZNFZLGXKS-UHFFFAOYSA-N 1 1 309.370 -1.001 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CC(N)=O)[C@@H]3C2)C1 ZINC001280693754 782285695 /nfs/dbraw/zinc/28/56/95/782285695.db2.gz IGMLKFMSIZNPJE-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CO ZINC001274570116 782285714 /nfs/dbraw/zinc/28/57/14/782285714.db2.gz WGZOOTHTHVRVKW-QJPTWQEYSA-N 1 1 313.398 -1.071 20 0 DAADMO Cn1cnnc1CN1CC[C@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274569485 782285837 /nfs/dbraw/zinc/28/58/37/782285837.db2.gz CJERBEDRHIZYGT-SMDDNHRTSA-N 1 1 309.370 -1.265 20 0 DAADMO COC(=O)[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001274605084 782286969 /nfs/dbraw/zinc/28/69/69/782286969.db2.gz GUIWXIDNCKDRJI-FZMZJTMJSA-N 1 1 314.338 -1.778 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274642491 782287877 /nfs/dbraw/zinc/28/78/77/782287877.db2.gz CBVHVLHOCOLMCQ-DZGCQCFKSA-N 1 1 314.382 -1.057 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(C3COC3)C2)C1 ZINC001274642492 782288187 /nfs/dbraw/zinc/28/81/87/782288187.db2.gz CBVHVLHOCOLMCQ-ZFWWWQNUSA-N 1 1 314.382 -1.057 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@H]1CCNC1=O ZINC001296177251 782289503 /nfs/dbraw/zinc/28/95/03/782289503.db2.gz QOHRZJSOCSRTQC-NSHDSACASA-N 1 1 307.354 -1.098 20 0 DAADMO CCn1cc(C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)nn1 ZINC001274471895 782279375 /nfs/dbraw/zinc/27/93/75/782279375.db2.gz JIJNXFJWZGALES-SNAWJCMRSA-N 1 1 320.357 -1.204 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@H]2C[C@@]2(C(=O)Nc2nnco2)C1 ZINC001274698081 782290733 /nfs/dbraw/zinc/29/07/33/782290733.db2.gz OKZYLJGDWBOHKA-GPCCPHFNSA-N 1 1 321.337 -1.077 20 0 DAADMO Cn1cnc([C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2C(N)=O)c1 ZINC001274697312 782290913 /nfs/dbraw/zinc/29/09/13/782290913.db2.gz JCRHYSBAISKFPS-IJLUTSLNSA-N 1 1 321.381 -1.486 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]12 ZINC001274698090 782291335 /nfs/dbraw/zinc/29/13/35/782291335.db2.gz OSPUGTJXZMELLH-GARJFASQSA-N 1 1 310.354 -1.646 20 0 DAADMO CN(C)C(=O)C1=NO[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]12 ZINC001274698090 782291342 /nfs/dbraw/zinc/29/13/42/782291342.db2.gz OSPUGTJXZMELLH-GARJFASQSA-N 1 1 310.354 -1.646 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@H]2C[C@@]2(C(=O)NCC2COC2)C1 ZINC001274698278 782291745 /nfs/dbraw/zinc/29/17/45/782291745.db2.gz QYMRHCVLXNMSPY-DVOMOZLQSA-N 1 1 323.393 -1.336 20 0 DAADMO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1nc[nH]n1 ZINC001274716960 782292593 /nfs/dbraw/zinc/29/25/93/782292593.db2.gz XSYANDFUGDMXDP-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@@H](CCNC(=O)[C@H]1CCN(C)C1=O)[NH2+]Cc1nnn(C)n1 ZINC001274771952 782294475 /nfs/dbraw/zinc/29/44/75/782294475.db2.gz JVIAKEXHLAOXDB-VHSXEESVSA-N 1 1 309.374 -1.327 20 0 DAADMO CNC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001274898122 782296768 /nfs/dbraw/zinc/29/67/68/782296768.db2.gz WWDMHNCMQGKTQA-SECBINFHSA-N 1 1 300.359 -2.061 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274696620 782289659 /nfs/dbraw/zinc/28/96/59/782289659.db2.gz BGZUBQBBQHUTJR-VHSXEESVSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274696620 782289663 /nfs/dbraw/zinc/28/96/63/782289663.db2.gz BGZUBQBBQHUTJR-VHSXEESVSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001274696621 782289836 /nfs/dbraw/zinc/28/98/36/782289836.db2.gz BGZUBQBBQHUTJR-ZJUUUORDSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001274696621 782289841 /nfs/dbraw/zinc/28/98/41/782289841.db2.gz BGZUBQBBQHUTJR-ZJUUUORDSA-N 1 1 322.369 -1.783 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N(C)CCNC(=O)[C@@H]1CCNC1=O ZINC001296177250 782290244 /nfs/dbraw/zinc/29/02/44/782290244.db2.gz QOHRZJSOCSRTQC-LLVKDONJSA-N 1 1 307.354 -1.098 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001274696618 782290280 /nfs/dbraw/zinc/29/02/80/782290280.db2.gz BGZUBQBBQHUTJR-NXEZZACHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001274696618 782290289 /nfs/dbraw/zinc/29/02/89/782290289.db2.gz BGZUBQBBQHUTJR-NXEZZACHSA-N 1 1 322.369 -1.783 20 0 DAADMO C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2C1 ZINC001275043678 782300724 /nfs/dbraw/zinc/30/07/24/782300724.db2.gz GJPIRCMVSXMUAE-NKSNSFCRSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2C1 ZINC001275043678 782300734 /nfs/dbraw/zinc/30/07/34/782300734.db2.gz GJPIRCMVSXMUAE-NKSNSFCRSA-N 1 1 318.326 -3.672 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C[C@H]21 ZINC001275043652 782301711 /nfs/dbraw/zinc/30/17/11/782301711.db2.gz GBQPOYDCKXTOCO-GATDUIATSA-N 1 1 302.327 -3.051 20 0 DAADMO CCC[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001275101566 782302461 /nfs/dbraw/zinc/30/24/61/782302461.db2.gz OEZOLVDVXMQGNO-YHMTXAQFSA-N 1 1 316.354 -2.517 20 0 DAADMO C[C@@H]([NH2+]C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O)c1nncn1C ZINC001275184680 782303972 /nfs/dbraw/zinc/30/39/72/782303972.db2.gz FXYSGBPALXAWGF-YIZRAAEISA-N 1 1 323.357 -1.432 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001275166747 782304663 /nfs/dbraw/zinc/30/46/63/782304663.db2.gz DZIYLCCUOMGMIP-MNOVXSKESA-N 1 1 312.370 -1.158 20 0 DAADMO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1c[nH]nn1 ZINC001274925531 782298529 /nfs/dbraw/zinc/29/85/29/782298529.db2.gz GVYGZAQLLCDLNP-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCc1cnn[nH]1 ZINC001274925531 782298536 /nfs/dbraw/zinc/29/85/36/782298536.db2.gz GVYGZAQLLCDLNP-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001275543890 782312452 /nfs/dbraw/zinc/31/24/52/782312452.db2.gz GXBNMAGOKIBJGO-SCZZXKLOSA-N 1 1 308.342 -1.330 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001275543892 782313121 /nfs/dbraw/zinc/31/31/21/782313121.db2.gz GXBNMAGOKIBJGO-WPRPVWTQSA-N 1 1 308.342 -1.330 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001275565340 782313607 /nfs/dbraw/zinc/31/36/07/782313607.db2.gz GWYHDMAKNHWIJA-VHSXEESVSA-N 1 1 312.370 -1.294 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001275565340 782313617 /nfs/dbraw/zinc/31/36/17/782313617.db2.gz GWYHDMAKNHWIJA-VHSXEESVSA-N 1 1 312.370 -1.294 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1cn[nH]n1 ZINC001275659073 782314905 /nfs/dbraw/zinc/31/49/05/782314905.db2.gz LHFNVPWXZBQAIM-KOLCDFICSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659073 782314918 /nfs/dbraw/zinc/31/49/18/782314918.db2.gz LHFNVPWXZBQAIM-KOLCDFICSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CCc1c[nH]nn1 ZINC001275659073 782314927 /nfs/dbraw/zinc/31/49/27/782314927.db2.gz LHFNVPWXZBQAIM-KOLCDFICSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCNC1=O ZINC001275613700 782315464 /nfs/dbraw/zinc/31/54/64/782315464.db2.gz FKYOLXCBKNAHPG-QWRGUYRKSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@@H](C[N@@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCNC1=O ZINC001275613701 782315553 /nfs/dbraw/zinc/31/55/53/782315553.db2.gz FKYOLXCBKNAHPG-WDEREUQCSA-N 1 1 311.386 -1.416 20 0 DAADMO C[C@H](CNC(=O)Cn1ncnn1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275835956 782318873 /nfs/dbraw/zinc/31/88/73/782318873.db2.gz QGLXKVFEUDDTLE-SNVBAGLBSA-N 1 1 323.357 -1.741 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@H+](C)CCNS(C)(=O)=O ZINC001275897722 782320759 /nfs/dbraw/zinc/32/07/59/782320759.db2.gz SWLQRCYVQVZVFZ-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001275897722 782320765 /nfs/dbraw/zinc/32/07/65/782320765.db2.gz SWLQRCYVQVZVFZ-NXEZZACHSA-N 1 1 320.415 -1.892 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275851853 782321004 /nfs/dbraw/zinc/32/10/04/782321004.db2.gz YWTFYRIRDHJKTK-MRVPVSSYSA-N 1 1 315.374 -1.610 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275851853 782321008 /nfs/dbraw/zinc/32/10/08/782321008.db2.gz YWTFYRIRDHJKTK-MRVPVSSYSA-N 1 1 315.374 -1.610 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001275919755 782321667 /nfs/dbraw/zinc/32/16/67/782321667.db2.gz FXSGRLJQTDMQNO-PSASIEDQSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)[C@@H]1CCC(=O)NC1=O ZINC001275919755 782321671 /nfs/dbraw/zinc/32/16/71/782321671.db2.gz FXSGRLJQTDMQNO-PSASIEDQSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@H+](C)CCNS(C)(=O)=O ZINC001275897724 782321715 /nfs/dbraw/zinc/32/17/15/782321715.db2.gz SWLQRCYVQVZVFZ-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@@H](CNC(=O)[C@@H]1CCNC1=O)[N@@H+](C)CCNS(C)(=O)=O ZINC001275897724 782321719 /nfs/dbraw/zinc/32/17/19/782321719.db2.gz SWLQRCYVQVZVFZ-VHSXEESVSA-N 1 1 320.415 -1.892 20 0 DAADMO C[C@H](CNC(=O)c1nnn(C)n1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001275904681 782321788 /nfs/dbraw/zinc/32/17/88/782321788.db2.gz MQYJBZQDLIBOGC-MRVPVSSYSA-N 1 1 324.345 -2.188 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)[N@@H+](C)CCn1cncn1 ZINC001275993119 782325264 /nfs/dbraw/zinc/32/52/64/782325264.db2.gz FUIKRSBIURJEET-NSHDSACASA-N 1 1 322.369 -1.136 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001275992873 782325303 /nfs/dbraw/zinc/32/53/03/782325303.db2.gz CVKQKFHCEKRREL-UWVGGRQHSA-N 1 1 300.359 -1.302 20 0 DAADMO C[N@H+]1C[C@H]2CN(C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H](C1)O2 ZINC001275978423 782324977 /nfs/dbraw/zinc/32/49/77/782324977.db2.gz OXZRBVCGGLXJLT-XHJNMGKDSA-N 1 1 316.398 -1.126 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H](C1)O2 ZINC001275978423 782324983 /nfs/dbraw/zinc/32/49/83/782324983.db2.gz OXZRBVCGGLXJLT-XHJNMGKDSA-N 1 1 316.398 -1.126 20 0 DAADMO Cn1ncnc1C(=O)N1CC2(C1)C[NH+](CCN1CCOCC1)C2 ZINC001275990754 782325965 /nfs/dbraw/zinc/32/59/65/782325965.db2.gz YSMGLMUTEZEQCX-UHFFFAOYSA-N 1 1 320.397 -1.095 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001275992441 782326966 /nfs/dbraw/zinc/32/69/66/782326966.db2.gz ATUCCJHSDHEQCL-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001275992441 782326970 /nfs/dbraw/zinc/32/69/70/782326970.db2.gz ATUCCJHSDHEQCL-IUCAKERBSA-N 1 1 313.358 -1.843 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276021269 782328341 /nfs/dbraw/zinc/32/83/41/782328341.db2.gz MFKVJVRRWVVZBU-ZJUUUORDSA-N 1 1 312.370 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001276021269 782328344 /nfs/dbraw/zinc/32/83/44/782328344.db2.gz MFKVJVRRWVVZBU-ZJUUUORDSA-N 1 1 312.370 -1.388 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001095422330 782330029 /nfs/dbraw/zinc/33/00/29/782330029.db2.gz SPNHIQCHEFYEBG-RHYQMDGZSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001095422330 782330039 /nfs/dbraw/zinc/33/00/39/782330039.db2.gz SPNHIQCHEFYEBG-RHYQMDGZSA-N 1 1 319.369 -1.375 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)n1 ZINC001095440062 782330656 /nfs/dbraw/zinc/33/06/56/782330656.db2.gz SLBPIMTYCSZKMP-UTLUCORTSA-N 1 1 308.342 -1.909 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001095558182 782334941 /nfs/dbraw/zinc/33/49/41/782334941.db2.gz KFHBSIHYPONKLL-WYFGTUCQSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001095558182 782334950 /nfs/dbraw/zinc/33/49/50/782334950.db2.gz KFHBSIHYPONKLL-WYFGTUCQSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001095558181 782335048 /nfs/dbraw/zinc/33/50/48/782335048.db2.gz KFHBSIHYPONKLL-SVDPJWKOSA-N 1 1 319.365 -1.011 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001095558181 782335056 /nfs/dbraw/zinc/33/50/56/782335056.db2.gz KFHBSIHYPONKLL-SVDPJWKOSA-N 1 1 319.365 -1.011 20 0 DAADMO CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnon2)CC1 ZINC001098504028 782335612 /nfs/dbraw/zinc/33/56/12/782335612.db2.gz LTFTWBCXZIHZIQ-UHFFFAOYSA-N 1 1 311.342 -1.286 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001110971493 782339711 /nfs/dbraw/zinc/33/97/11/782339711.db2.gz GLBASAFUJQDEHW-KXNHARMFSA-N 1 1 311.382 -1.019 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962991 782339828 /nfs/dbraw/zinc/33/98/28/782339828.db2.gz JBGXUNAYURLDSJ-KKOKHZNYSA-N 1 1 315.370 -1.783 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962895 782340253 /nfs/dbraw/zinc/34/02/53/782340253.db2.gz DNSUBILADPUNAO-MXWKQRLJSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001110962895 782340259 /nfs/dbraw/zinc/34/02/59/782340259.db2.gz DNSUBILADPUNAO-MXWKQRLJSA-N 1 1 311.386 -1.099 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)CC1 ZINC001110966175 782340358 /nfs/dbraw/zinc/34/03/58/782340358.db2.gz ZUXOQFGFBPBVHM-ZNSHCXBVSA-N 1 1 306.366 -1.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001110966175 782340366 /nfs/dbraw/zinc/34/03/66/782340366.db2.gz ZUXOQFGFBPBVHM-ZNSHCXBVSA-N 1 1 306.366 -1.138 20 0 DAADMO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001110903261 782338629 /nfs/dbraw/zinc/33/86/29/782338629.db2.gz DGTSADQUCMSMIV-YTWAJWBKSA-N 1 1 310.358 -1.448 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001110958001 782339252 /nfs/dbraw/zinc/33/92/52/782339252.db2.gz KFXVSDLBXMAIFW-WYUUTHIRSA-N 1 1 323.397 -1.132 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2 ZINC001110958001 782339257 /nfs/dbraw/zinc/33/92/57/782339257.db2.gz KFXVSDLBXMAIFW-WYUUTHIRSA-N 1 1 323.397 -1.132 20 0 DAADMO CCc1nc(N2CC[C@](O)(CNC(=O)C(N)=O)C2)cc(C)[nH+]1 ZINC001111124963 782349118 /nfs/dbraw/zinc/34/91/18/782349118.db2.gz ZSEFMLJQHADVKK-AWEZNQCLSA-N 1 1 307.354 -1.110 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111179465 782350227 /nfs/dbraw/zinc/35/02/27/782350227.db2.gz IHZJKEWNVFHPIO-MXWKQRLJSA-N 1 1 307.358 -1.469 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111179465 782350237 /nfs/dbraw/zinc/35/02/37/782350237.db2.gz IHZJKEWNVFHPIO-MXWKQRLJSA-N 1 1 307.358 -1.469 20 0 DAADMO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnnn1)C2 ZINC001111181609 782351059 /nfs/dbraw/zinc/35/10/59/782351059.db2.gz FXPKDPGLDMGUAQ-LPWJVIDDSA-N 1 1 324.385 -1.208 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C(N)=O ZINC001111105865 782346810 /nfs/dbraw/zinc/34/68/10/782346810.db2.gz QEWGDSLCLZXKEI-WYUUTHIRSA-N 1 1 312.370 -1.920 20 0 DAADMO C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111336874 782354156 /nfs/dbraw/zinc/35/41/56/782354156.db2.gz AKQMNQWFNBCBJF-KKOKHZNYSA-N 1 1 319.427 -1.020 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001111374681 782355154 /nfs/dbraw/zinc/35/51/54/782355154.db2.gz WQWUFYVOEKFHSG-ZNSHCXBVSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001111374681 782355168 /nfs/dbraw/zinc/35/51/68/782355168.db2.gz WQWUFYVOEKFHSG-ZNSHCXBVSA-N 1 1 309.370 -1.345 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111374401 782355717 /nfs/dbraw/zinc/35/57/17/782355717.db2.gz LYPBHAQWBMKUOS-DBIOUOCHSA-N 1 1 310.354 -1.312 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001111419034 782358278 /nfs/dbraw/zinc/35/82/78/782358278.db2.gz VYIZMNBZAIUJGJ-MXWKQRLJSA-N 1 1 305.400 -1.361 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c1=O ZINC001095859280 782356453 /nfs/dbraw/zinc/35/64/53/782356453.db2.gz QKCNKZHQMMGHRR-MIMYLULJSA-N 1 1 308.338 -1.187 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114507005 782359188 /nfs/dbraw/zinc/35/91/88/782359188.db2.gz GIRUSXJAIFULTL-WYOJIJJFSA-N 1 1 321.324 -1.579 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCNC(=O)C1)C2 ZINC001095865729 782356958 /nfs/dbraw/zinc/35/69/58/782356958.db2.gz PJRWZECYEQJSNE-AGIUHOORSA-N 1 1 310.398 -1.214 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001095872415 782357078 /nfs/dbraw/zinc/35/70/78/782357078.db2.gz KAZXEFLTKDJUSN-RHYQMDGZSA-N 1 1 323.397 -1.180 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001095872415 782357082 /nfs/dbraw/zinc/35/70/82/782357082.db2.gz KAZXEFLTKDJUSN-RHYQMDGZSA-N 1 1 323.397 -1.180 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114534460 782361548 /nfs/dbraw/zinc/36/15/48/782361548.db2.gz ALXMJBMMKFUMFS-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114534460 782361556 /nfs/dbraw/zinc/36/15/56/782361556.db2.gz ALXMJBMMKFUMFS-IWIIMEHWSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538443 782361841 /nfs/dbraw/zinc/36/18/41/782361841.db2.gz PWVJAHLNJWHVLS-LFNDISMMSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538443 782361848 /nfs/dbraw/zinc/36/18/48/782361848.db2.gz PWVJAHLNJWHVLS-LFNDISMMSA-N 1 1 322.365 -1.554 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114526856 782362084 /nfs/dbraw/zinc/36/20/84/782362084.db2.gz KIEVRYASXWPWGQ-UXCLJVHYSA-N 1 1 311.386 -1.255 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCNC(N)=O ZINC001114526856 782362087 /nfs/dbraw/zinc/36/20/87/782362087.db2.gz KIEVRYASXWPWGQ-UXCLJVHYSA-N 1 1 311.386 -1.255 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC001114538703 782362138 /nfs/dbraw/zinc/36/21/38/782362138.db2.gz SGFNLFPDLWTWLQ-OZWUEAAUSA-N 1 1 309.366 -1.047 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114562239 782362554 /nfs/dbraw/zinc/36/25/54/782362554.db2.gz CEGVMIXDADJTLX-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001114971175 782362824 /nfs/dbraw/zinc/36/28/24/782362824.db2.gz UMDCXORUVQSRSJ-KXNHARMFSA-N 1 1 320.393 -1.210 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114506884 782359284 /nfs/dbraw/zinc/35/92/84/782359284.db2.gz DCUFYHDEUJGSSY-PYHGXSLLSA-N 1 1 318.324 -1.322 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001114502180 782359436 /nfs/dbraw/zinc/35/94/36/782359436.db2.gz PDYPBPCSLVHFMM-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 ZINC001114502180 782359443 /nfs/dbraw/zinc/35/94/43/782359443.db2.gz PDYPBPCSLVHFMM-APOZVJGGSA-N 1 1 323.353 -2.246 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001114502330 782359529 /nfs/dbraw/zinc/35/95/29/782359529.db2.gz SCTWTHOJGALKSL-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 ZINC001114502330 782359540 /nfs/dbraw/zinc/35/95/40/782359540.db2.gz SCTWTHOJGALKSL-PUHVVEEASA-N 1 1 308.382 -1.305 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)F ZINC001114509017 782360597 /nfs/dbraw/zinc/36/05/97/782360597.db2.gz ZLYYXSLHYZAKLI-VROVMSAKSA-N 1 1 318.324 -1.498 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114520747 782360922 /nfs/dbraw/zinc/36/09/22/782360922.db2.gz AMCXZTWRURSNPV-JYAVWHMHSA-N 1 1 312.414 -1.519 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114672918 782367191 /nfs/dbraw/zinc/36/71/91/782367191.db2.gz XZGZVTRUFXYHFT-SRRSOLGSSA-N 1 1 323.397 -1.419 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114672918 782367200 /nfs/dbraw/zinc/36/72/00/782367200.db2.gz XZGZVTRUFXYHFT-SRRSOLGSSA-N 1 1 323.397 -1.419 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114673261 782367586 /nfs/dbraw/zinc/36/75/86/782367586.db2.gz CLCOIQCBLZGLBM-MVVXRAEJSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114673261 782367593 /nfs/dbraw/zinc/36/75/93/782367593.db2.gz CLCOIQCBLZGLBM-MVVXRAEJSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114673259 782367728 /nfs/dbraw/zinc/36/77/28/782367728.db2.gz CLCOIQCBLZGLBM-GOONRYMUSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114673259 782367733 /nfs/dbraw/zinc/36/77/33/782367733.db2.gz CLCOIQCBLZGLBM-GOONRYMUSA-N 1 1 306.370 -1.127 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114676002 782367796 /nfs/dbraw/zinc/36/77/96/782367796.db2.gz QXFAUICJYUONSC-MEWQQHAOSA-N 1 1 323.397 -1.431 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)S(N)(=O)=O ZINC001114622249 782364652 /nfs/dbraw/zinc/36/46/52/782364652.db2.gz ZVEKKQADMBYUIX-WHOHXGKFSA-N 1 1 319.427 -1.128 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)S(N)(=O)=O ZINC001114621718 782364960 /nfs/dbraw/zinc/36/49/60/782364960.db2.gz OUSRCOKTRZAUQC-QCBRBAQYSA-N 1 1 318.399 -2.025 20 0 DAADMO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)S(N)(=O)=O ZINC001114621718 782364965 /nfs/dbraw/zinc/36/49/65/782364965.db2.gz OUSRCOKTRZAUQC-QCBRBAQYSA-N 1 1 318.399 -2.025 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)S(N)(=O)=O ZINC001114621717 782364981 /nfs/dbraw/zinc/36/49/81/782364981.db2.gz OUSRCOKTRZAUQC-LOKLDPHHSA-N 1 1 318.399 -2.025 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)S(N)(=O)=O ZINC001114621717 782364988 /nfs/dbraw/zinc/36/49/88/782364988.db2.gz OUSRCOKTRZAUQC-LOKLDPHHSA-N 1 1 318.399 -2.025 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114624465 782365018 /nfs/dbraw/zinc/36/50/18/782365018.db2.gz SNWSETFMIJSTHO-ODXREFDESA-N 1 1 319.387 -3.040 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114624465 782365025 /nfs/dbraw/zinc/36/50/25/782365025.db2.gz SNWSETFMIJSTHO-ODXREFDESA-N 1 1 319.387 -3.040 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001114632912 782365404 /nfs/dbraw/zinc/36/54/04/782365404.db2.gz PYKAIRGDGKPMDX-YGNMPJRFSA-N 1 1 307.354 -1.361 20 0 DAADMO CO[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)c1cnn(C)c1 ZINC001114632912 782365410 /nfs/dbraw/zinc/36/54/10/782365410.db2.gz PYKAIRGDGKPMDX-YGNMPJRFSA-N 1 1 307.354 -1.361 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114972875 782365426 /nfs/dbraw/zinc/36/54/26/782365426.db2.gz RKUHBMAJDDBVGI-IAZYJMLFSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(=O)NC)CC1 ZINC001114972875 782365438 /nfs/dbraw/zinc/36/54/38/782365438.db2.gz RKUHBMAJDDBVGI-IAZYJMLFSA-N 1 1 308.382 -1.305 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001114627051 782365635 /nfs/dbraw/zinc/36/56/35/782365635.db2.gz PSVDNVNPTOKOCB-UVLXDEKHSA-N 1 1 321.381 -1.100 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001114627051 782365639 /nfs/dbraw/zinc/36/56/39/782365639.db2.gz PSVDNVNPTOKOCB-UVLXDEKHSA-N 1 1 321.381 -1.100 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114647680 782365737 /nfs/dbraw/zinc/36/57/37/782365737.db2.gz MOHDSVVLHRDIOE-JZYVYDRUSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114647680 782365740 /nfs/dbraw/zinc/36/57/40/782365740.db2.gz MOHDSVVLHRDIOE-JZYVYDRUSA-N 1 1 306.326 -1.427 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114639070 782365746 /nfs/dbraw/zinc/36/57/46/782365746.db2.gz QBFUTKMXSIKYFU-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csnn1 ZINC001114639070 782365750 /nfs/dbraw/zinc/36/57/50/782365750.db2.gz QBFUTKMXSIKYFU-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C ZINC001114648228 782365764 /nfs/dbraw/zinc/36/57/64/782365764.db2.gz RPLZOJMVTJNJDZ-IAZYJMLFSA-N 1 1 320.353 -1.166 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C ZINC001114648228 782365769 /nfs/dbraw/zinc/36/57/69/782365769.db2.gz RPLZOJMVTJNJDZ-IAZYJMLFSA-N 1 1 320.353 -1.166 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001114665057 782366162 /nfs/dbraw/zinc/36/61/62/782366162.db2.gz ANYVNRGPIMZOET-SRRSOLGSSA-N 1 1 323.397 -1.465 20 0 DAADMO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114662337 782366213 /nfs/dbraw/zinc/36/62/13/782366213.db2.gz ICLHPEOXTIYVOI-VIKVFOODSA-N 1 1 324.425 -1.109 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114662496 782366354 /nfs/dbraw/zinc/36/63/54/782366354.db2.gz LFTOVHVPGPNEIJ-MEWQQHAOSA-N 1 1 308.382 -1.305 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCNC1=O ZINC001114662496 782366362 /nfs/dbraw/zinc/36/63/62/782366362.db2.gz LFTOVHVPGPNEIJ-MEWQQHAOSA-N 1 1 308.382 -1.305 20 0 DAADMO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c[nH]c1=O ZINC001114665697 782366498 /nfs/dbraw/zinc/36/64/98/782366498.db2.gz MNJCPBDJFUIJCO-MTBHXBHISA-N 1 1 322.325 -2.019 20 0 DAADMO Cn1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c[nH]c1=O ZINC001114665697 782366506 /nfs/dbraw/zinc/36/65/06/782366506.db2.gz MNJCPBDJFUIJCO-MTBHXBHISA-N 1 1 322.325 -2.019 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114664159 782366593 /nfs/dbraw/zinc/36/65/93/782366593.db2.gz ZCMIFRZZHFUHJL-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCNC(=O)C1 ZINC001114663321 782366764 /nfs/dbraw/zinc/36/67/64/782366764.db2.gz TWRKNVKCIYXYKJ-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO CN1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1=O ZINC001114714520 782370016 /nfs/dbraw/zinc/37/00/16/782370016.db2.gz UDJNMLZTASCUJE-NDBYEHHHSA-N 1 1 311.382 -1.480 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)n1 ZINC001114695094 782370099 /nfs/dbraw/zinc/37/00/99/782370099.db2.gz ABFCDBCIYQFZSS-JZYVYDRUSA-N 1 1 321.385 -1.215 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)n1 ZINC001114695094 782370107 /nfs/dbraw/zinc/37/01/07/782370107.db2.gz ABFCDBCIYQFZSS-JZYVYDRUSA-N 1 1 321.385 -1.215 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001114713834 782370212 /nfs/dbraw/zinc/37/02/12/782370212.db2.gz JLMQZGUCLMWRGL-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001114713834 782370218 /nfs/dbraw/zinc/37/02/18/782370218.db2.gz JLMQZGUCLMWRGL-MEWQQHAOSA-N 1 1 308.382 -1.353 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C ZINC001114695314 782370476 /nfs/dbraw/zinc/37/04/76/782370476.db2.gz DJBMAODBFPZIDV-JLDUMIBSSA-N 1 1 311.382 -1.339 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114727227 782370848 /nfs/dbraw/zinc/37/08/48/782370848.db2.gz UHDBNZDQBHCVNX-QAHWYCSRSA-N 1 1 321.337 -1.153 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114727227 782370850 /nfs/dbraw/zinc/37/08/50/782370850.db2.gz UHDBNZDQBHCVNX-QAHWYCSRSA-N 1 1 321.337 -1.153 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCOC1 ZINC001114730901 782371249 /nfs/dbraw/zinc/37/12/49/782371249.db2.gz LKOTWHYQUZUXHJ-DUCCMJIMSA-N 1 1 314.317 -1.644 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CCOC1 ZINC001114730901 782371259 /nfs/dbraw/zinc/37/12/59/782371259.db2.gz LKOTWHYQUZUXHJ-DUCCMJIMSA-N 1 1 314.317 -1.644 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114724531 782371297 /nfs/dbraw/zinc/37/12/97/782371297.db2.gz OLFRETKDQOYBHP-GDGBQDQQSA-N 1 1 307.310 -1.542 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC001114724531 782371309 /nfs/dbraw/zinc/37/13/09/782371309.db2.gz OLFRETKDQOYBHP-GDGBQDQQSA-N 1 1 307.310 -1.542 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC001114740004 782372019 /nfs/dbraw/zinc/37/20/19/782372019.db2.gz ZHTJJJFHQVLNOC-CZXHOFHRSA-N 1 1 319.365 -1.266 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114692385 782368778 /nfs/dbraw/zinc/36/87/78/782368778.db2.gz GMZJKRPWQQQHET-BDINMYNLSA-N 1 1 308.302 -2.935 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114692385 782368787 /nfs/dbraw/zinc/36/87/87/782368787.db2.gz GMZJKRPWQQQHET-BDINMYNLSA-N 1 1 308.302 -2.935 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693133 782368799 /nfs/dbraw/zinc/36/87/99/782368799.db2.gz VFXRIAVACNDIQV-UXCLJVHYSA-N 1 1 321.385 -1.215 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693133 782368800 /nfs/dbraw/zinc/36/88/00/782368800.db2.gz VFXRIAVACNDIQV-UXCLJVHYSA-N 1 1 321.385 -1.215 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692607 782368817 /nfs/dbraw/zinc/36/88/17/782368817.db2.gz LELDMCJSMICJKM-JZYVYDRUSA-N 1 1 307.358 -1.652 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692607 782368825 /nfs/dbraw/zinc/36/88/25/782368825.db2.gz LELDMCJSMICJKM-JZYVYDRUSA-N 1 1 307.358 -1.652 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693356 782368904 /nfs/dbraw/zinc/36/89/04/782368904.db2.gz ZSUHQIBVEOTWIY-QMSLJYSESA-N 1 1 322.329 -2.674 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114693356 782368911 /nfs/dbraw/zinc/36/89/11/782368911.db2.gz ZSUHQIBVEOTWIY-QMSLJYSESA-N 1 1 322.329 -2.674 20 0 DAADMO CC(C)(C)NC(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752300 782373845 /nfs/dbraw/zinc/37/38/45/782373845.db2.gz ATAVIIAOHSCWPP-MYJAWHEDSA-N 1 1 311.386 -1.384 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114753455 782374171 /nfs/dbraw/zinc/37/41/71/782374171.db2.gz VZRRSFLYWJQASO-MYJAWHEDSA-N 1 1 318.399 -2.153 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114757234 782374299 /nfs/dbraw/zinc/37/42/99/782374299.db2.gz HTTNJUNHVSPXMA-MBTKJCJQSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114757234 782374311 /nfs/dbraw/zinc/37/43/11/782374311.db2.gz HTTNJUNHVSPXMA-MBTKJCJQSA-N 1 1 309.326 -2.494 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756294 782374611 /nfs/dbraw/zinc/37/46/11/782374611.db2.gz YTTMXNUKGBBQPP-VROVMSAKSA-N 1 1 304.372 -2.413 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756294 782374621 /nfs/dbraw/zinc/37/46/21/782374621.db2.gz YTTMXNUKGBBQPP-VROVMSAKSA-N 1 1 304.372 -2.413 20 0 DAADMO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114757199 782374756 /nfs/dbraw/zinc/37/47/56/782374756.db2.gz HGHFREGBECJUGL-MBTKJCJQSA-N 1 1 311.342 -2.246 20 0 DAADMO CCCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114757199 782374762 /nfs/dbraw/zinc/37/47/62/782374762.db2.gz HGHFREGBECJUGL-MBTKJCJQSA-N 1 1 311.342 -2.246 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114757023 782374783 /nfs/dbraw/zinc/37/47/83/782374783.db2.gz DWSQQQVLULDHCU-YTWAJWBKSA-N 1 1 306.366 -1.471 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C(N)=O)CC2)C1=O ZINC001114757024 782374951 /nfs/dbraw/zinc/37/49/51/782374951.db2.gz DWSQQQVLULDHCU-ZRUFSTJUSA-N 1 1 306.366 -1.471 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001114758056 782375121 /nfs/dbraw/zinc/37/51/21/782375121.db2.gz WQSXSQUPFFQZHP-URLYPYJESA-N 1 1 304.354 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756098 782375150 /nfs/dbraw/zinc/37/51/50/782375150.db2.gz VEMOUJFUROEZOV-WYOJIJJFSA-N 1 1 318.399 -2.025 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCS(N)(=O)=O ZINC001114756098 782375161 /nfs/dbraw/zinc/37/51/61/782375161.db2.gz VEMOUJFUROEZOV-WYOJIJJFSA-N 1 1 318.399 -2.025 20 0 DAADMO C[C@@H](C(=O)NCc1ccco1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754548 782375188 /nfs/dbraw/zinc/37/51/88/782375188.db2.gz DFKKCSCWSZHXKQ-OHBODLIOSA-N 1 1 320.349 -1.184 20 0 DAADMO C[C@@H](C(=O)NCc1ccco1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754548 782375193 /nfs/dbraw/zinc/37/51/93/782375193.db2.gz DFKKCSCWSZHXKQ-OHBODLIOSA-N 1 1 320.349 -1.184 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114758026 782375336 /nfs/dbraw/zinc/37/53/36/782375336.db2.gz WDDRZKGRBPSTSE-RBXMUDONSA-N 1 1 311.342 -2.248 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114758026 782375347 /nfs/dbraw/zinc/37/53/47/782375347.db2.gz WDDRZKGRBPSTSE-RBXMUDONSA-N 1 1 311.342 -2.248 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114758025 782375450 /nfs/dbraw/zinc/37/54/50/782375450.db2.gz WDDRZKGRBPSTSE-HXFLIBJXSA-N 1 1 311.342 -2.248 20 0 DAADMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114758025 782375462 /nfs/dbraw/zinc/37/54/62/782375462.db2.gz WDDRZKGRBPSTSE-HXFLIBJXSA-N 1 1 311.342 -2.248 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001114763189 782375486 /nfs/dbraw/zinc/37/54/86/782375486.db2.gz BIKKZBFONGOMMN-URLYPYJESA-N 1 1 321.381 -1.677 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)[nH]1 ZINC001114771605 782376460 /nfs/dbraw/zinc/37/64/60/782376460.db2.gz GDHMBWRSKCUEFV-UXCLJVHYSA-N 1 1 310.354 -1.207 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114771605 782376471 /nfs/dbraw/zinc/37/64/71/782376471.db2.gz GDHMBWRSKCUEFV-UXCLJVHYSA-N 1 1 310.354 -1.207 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114771605 782376478 /nfs/dbraw/zinc/37/64/78/782376478.db2.gz GDHMBWRSKCUEFV-UXCLJVHYSA-N 1 1 310.354 -1.207 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(N)=O)CC1 ZINC001114765314 782376616 /nfs/dbraw/zinc/37/66/16/782376616.db2.gz CXAZBMGAWYWHGB-ZNSHCXBVSA-N 1 1 308.382 -1.225 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001114781450 782377266 /nfs/dbraw/zinc/37/72/66/782377266.db2.gz ROUKYSWOVMFBGW-LLHIFLOGSA-N 1 1 312.370 -1.101 20 0 DAADMO CO[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001114781450 782377277 /nfs/dbraw/zinc/37/72/77/782377277.db2.gz ROUKYSWOVMFBGW-LLHIFLOGSA-N 1 1 312.370 -1.101 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)[nH]c1=O ZINC001114771851 782377364 /nfs/dbraw/zinc/37/73/64/782377364.db2.gz KWVXDFCJMBJCTA-IAZYJMLFSA-N 1 1 310.354 -1.205 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)=NC1=O ZINC001114771851 782377375 /nfs/dbraw/zinc/37/73/75/782377375.db2.gz KWVXDFCJMBJCTA-IAZYJMLFSA-N 1 1 310.354 -1.205 20 0 DAADMO CN1CC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)=NC1=O ZINC001114771851 782377388 /nfs/dbraw/zinc/37/73/88/782377388.db2.gz KWVXDFCJMBJCTA-IAZYJMLFSA-N 1 1 310.354 -1.205 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1=CCOCC1 ZINC001114776556 782377428 /nfs/dbraw/zinc/37/74/28/782377428.db2.gz KYXGESJFUUNREX-YABSGUDNSA-N 1 1 322.365 -1.036 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1=CCOCC1 ZINC001114776556 782377440 /nfs/dbraw/zinc/37/74/40/782377440.db2.gz KYXGESJFUUNREX-YABSGUDNSA-N 1 1 322.365 -1.036 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 ZINC001114787567 782377458 /nfs/dbraw/zinc/37/74/58/782377458.db2.gz VGBBBARZXXCBDA-JUFVYRIHSA-N 1 1 311.382 -1.291 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC001114740006 782372316 /nfs/dbraw/zinc/37/23/16/782372316.db2.gz ZHTJJJFHQVLNOC-KZVDOYCCSA-N 1 1 319.365 -1.266 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745573 782372850 /nfs/dbraw/zinc/37/28/50/782372850.db2.gz CCIUCOAHCHVFHL-VOQBNFLRSA-N 1 1 310.314 -3.091 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745573 782372857 /nfs/dbraw/zinc/37/28/57/782372857.db2.gz CCIUCOAHCHVFHL-VOQBNFLRSA-N 1 1 310.314 -3.091 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746321 782372892 /nfs/dbraw/zinc/37/28/92/782372892.db2.gz QBQXYBHONSESAJ-KLBPJQLPSA-N 1 1 309.370 -1.761 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)N1 ZINC001114746321 782372900 /nfs/dbraw/zinc/37/29/00/782372900.db2.gz QBQXYBHONSESAJ-KLBPJQLPSA-N 1 1 309.370 -1.761 20 0 DAADMO CCCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745910 782372922 /nfs/dbraw/zinc/37/29/22/782372922.db2.gz IHSMFNDXWPDVEQ-SRRSOLGSSA-N 1 1 323.397 -1.370 20 0 DAADMO CCCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)N1 ZINC001114745910 782372932 /nfs/dbraw/zinc/37/29/32/782372932.db2.gz IHSMFNDXWPDVEQ-SRRSOLGSSA-N 1 1 323.397 -1.370 20 0 DAADMO NC(=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001114753661 782373484 /nfs/dbraw/zinc/37/34/84/782373484.db2.gz ZQURBTZFYFNXQX-ZZVYKPCYSA-N 1 1 319.361 -1.042 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838031 782380679 /nfs/dbraw/zinc/38/06/79/782380679.db2.gz PYDJYXZZOLIKHE-KUIGQIJESA-N 1 1 309.326 -2.651 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838031 782380687 /nfs/dbraw/zinc/38/06/87/782380687.db2.gz PYDJYXZZOLIKHE-KUIGQIJESA-N 1 1 309.326 -2.651 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001114838157 782380765 /nfs/dbraw/zinc/38/07/65/782380765.db2.gz RZNBDTQJHNQERK-FHUSYTEZSA-N 1 1 311.382 -1.183 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114840136 782380793 /nfs/dbraw/zinc/38/07/93/782380793.db2.gz IPLQZQJFRSCWHE-YABSGUDNSA-N 1 1 306.370 -1.460 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn(C)n1 ZINC001114840136 782380802 /nfs/dbraw/zinc/38/08/02/782380802.db2.gz IPLQZQJFRSCWHE-YABSGUDNSA-N 1 1 306.370 -1.460 20 0 DAADMO Cn1ncc(CCC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC001114839971 782380819 /nfs/dbraw/zinc/38/08/19/782380819.db2.gz HLCLRKJQVIDQGV-CZXHOFHRSA-N 1 1 318.381 -1.317 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114847134 782381829 /nfs/dbraw/zinc/38/18/29/782381829.db2.gz XOQQVPAMOJXTDD-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n1 ZINC001114847134 782381836 /nfs/dbraw/zinc/38/18/36/782381836.db2.gz XOQQVPAMOJXTDD-IWIIMEHWSA-N 1 1 320.353 -1.567 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CCOCC1 ZINC001114907220 782387979 /nfs/dbraw/zinc/38/79/79/782387979.db2.gz LWJROVNRNJKOPD-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CCOCC1 ZINC001114907220 782387990 /nfs/dbraw/zinc/38/79/90/782387990.db2.gz LWJROVNRNJKOPD-JYAVWHMHSA-N 1 1 311.382 -1.026 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)C(N)=O ZINC001114931917 782388436 /nfs/dbraw/zinc/38/84/36/782388436.db2.gz DBQQPBHXMZSNSO-MIZYBKAJSA-N 1 1 300.334 -1.618 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)C(N)=O ZINC001114931917 782388441 /nfs/dbraw/zinc/38/84/41/782388441.db2.gz DBQQPBHXMZSNSO-MIZYBKAJSA-N 1 1 300.334 -1.618 20 0 DAADMO CC(=O)NCC1(O)CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001041053921 782388956 /nfs/dbraw/zinc/38/89/56/782388956.db2.gz IALOUNNVYPTDGZ-GFCCVEGCSA-N 1 1 309.370 -1.477 20 0 DAADMO CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001041056376 782389587 /nfs/dbraw/zinc/38/95/87/782389587.db2.gz BQUNODMZQJOPMV-RYUDHWBXSA-N 1 1 311.382 -1.051 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114858429 782383901 /nfs/dbraw/zinc/38/39/01/782383901.db2.gz AMLWAQRVGGEARK-SRRSOLGSSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114858429 782383908 /nfs/dbraw/zinc/38/39/08/782383908.db2.gz AMLWAQRVGGEARK-SRRSOLGSSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114858429 782383913 /nfs/dbraw/zinc/38/39/13/782383913.db2.gz AMLWAQRVGGEARK-SRRSOLGSSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114858429 782383920 /nfs/dbraw/zinc/38/39/20/782383920.db2.gz AMLWAQRVGGEARK-SRRSOLGSSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114858429 782383925 /nfs/dbraw/zinc/38/39/25/782383925.db2.gz AMLWAQRVGGEARK-SRRSOLGSSA-N 1 1 304.354 -1.328 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001114891331 782386874 /nfs/dbraw/zinc/38/68/74/782386874.db2.gz LCRSKGCCWVEOSO-MIZYBKAJSA-N 1 1 310.354 -1.333 20 0 DAADMO O=C(NCC1(O)CN(C(=O)C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001043374723 782398571 /nfs/dbraw/zinc/39/85/71/782398571.db2.gz WESSBGZPKKMNHY-STQMWFEESA-N 1 1 323.393 -1.051 20 0 DAADMO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043415172 782398850 /nfs/dbraw/zinc/39/88/50/782398850.db2.gz PTOPXJMCZOEHQU-JTQLQIEISA-N 1 1 312.370 -1.964 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001042880719 782391641 /nfs/dbraw/zinc/39/16/41/782391641.db2.gz MGRWUYLFMQIUEE-NWDGAFQWSA-N 1 1 313.398 -1.356 20 0 DAADMO Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001042886008 782391750 /nfs/dbraw/zinc/39/17/50/782391750.db2.gz XDFWDADJPHOONI-LLVKDONJSA-N 1 1 322.369 -1.788 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001042881399 782392432 /nfs/dbraw/zinc/39/24/32/782392432.db2.gz UEFMCRQVQFVOQX-CYBMUJFWSA-N 1 1 324.381 -1.102 20 0 DAADMO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001043704798 782402607 /nfs/dbraw/zinc/40/26/07/782402607.db2.gz QGAAFSCADKCNII-RYUDHWBXSA-N 1 1 322.369 -1.932 20 0 DAADMO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001095957039 782404117 /nfs/dbraw/zinc/40/41/17/782404117.db2.gz OTSQUUHSAIVEPL-RHYQMDGZSA-N 1 1 307.354 -1.549 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001096079106 782405044 /nfs/dbraw/zinc/40/50/44/782405044.db2.gz MUYFPLIDMSLFKQ-RCWTZXSCSA-N 1 1 310.354 -1.048 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001047627647 782406603 /nfs/dbraw/zinc/40/66/03/782406603.db2.gz SLSNKGSMOWCQDY-UBHSHLNASA-N 1 1 322.413 -1.230 20 0 DAADMO CN(C(=O)c1c[nH]c(C(N)=O)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047628799 782406659 /nfs/dbraw/zinc/40/66/59/782406659.db2.gz PBCXJRWGJPMLCS-RYUDHWBXSA-N 1 1 310.354 -1.387 20 0 DAADMO CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047626375 782406763 /nfs/dbraw/zinc/40/67/63/782406763.db2.gz BGCYBTQYPVIGLY-AVGNSLFASA-N 1 1 312.414 -1.470 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047626791 782406806 /nfs/dbraw/zinc/40/68/06/782406806.db2.gz FLGCIPAFXKEEMF-UBHSHLNASA-N 1 1 324.425 -1.280 20 0 DAADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001047627108 782407113 /nfs/dbraw/zinc/40/71/13/782407113.db2.gz KBNDLRKNFXRSCQ-AGIUHOORSA-N 1 1 322.413 -1.230 20 0 DAADMO NC(=O)NCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001096246083 782408649 /nfs/dbraw/zinc/40/86/49/782408649.db2.gz DVNFZUPKSZQFLX-UHFFFAOYSA-N 1 1 321.385 -1.227 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096294318 782410216 /nfs/dbraw/zinc/41/02/16/782410216.db2.gz DPLCDMQYVQCJSL-VWYCJHECSA-N 1 1 310.354 -1.358 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)c1cc(=O)n2[nH]cnc2n1 ZINC001096342892 782411038 /nfs/dbraw/zinc/41/10/38/782411038.db2.gz JCJTYKXRRCMXNT-YWVKMMECSA-N 1 1 318.337 -1.255 20 0 DAADMO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047629019 782408303 /nfs/dbraw/zinc/40/83/03/782408303.db2.gz PNAGMTMEGLUCOD-IHRRRGAJSA-N 1 1 322.413 -1.267 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)c(=O)n1C ZINC001096461442 782412860 /nfs/dbraw/zinc/41/28/60/782412860.db2.gz RPPHLLSTLNUONZ-WOPDTQHZSA-N 1 1 309.370 -1.396 20 0 DAADMO CC(=O)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096461185 782413013 /nfs/dbraw/zinc/41/30/13/782413013.db2.gz LCNWGYBDLAUDJM-ZOBORPQBSA-N 1 1 311.382 -1.053 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)nn1 ZINC001096609885 782413675 /nfs/dbraw/zinc/41/36/75/782413675.db2.gz YMHCXHKUFLGYDE-SCVCMEIPSA-N 1 1 322.369 -1.519 20 0 DAADMO COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096609594 782414707 /nfs/dbraw/zinc/41/47/07/782414707.db2.gz UWHYORCRMVGYRF-SCVCMEIPSA-N 1 1 322.369 -1.255 20 0 DAADMO CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096574987 782415089 /nfs/dbraw/zinc/41/50/89/782415089.db2.gz NOSDTVPXRGEPCF-RFGFWPKPSA-N 1 1 311.382 -1.053 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782195 782416814 /nfs/dbraw/zinc/41/68/14/782416814.db2.gz VJRCRBWEDWMEMF-ZDCRXTMVSA-N 1 1 307.358 -1.471 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096782195 782416816 /nfs/dbraw/zinc/41/68/16/782416816.db2.gz VJRCRBWEDWMEMF-ZDCRXTMVSA-N 1 1 307.358 -1.471 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1=O ZINC001097375621 782421732 /nfs/dbraw/zinc/42/17/32/782421732.db2.gz SMVMHUKJYDQWQH-MCIONIFRSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982327 782417238 /nfs/dbraw/zinc/41/72/38/782417238.db2.gz YGBPWIWBNQZPCI-ZNSHCXBVSA-N 1 1 322.369 -1.031 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CN=NC1=O)C2 ZINC001096982327 782417241 /nfs/dbraw/zinc/41/72/41/782417241.db2.gz YGBPWIWBNQZPCI-ZNSHCXBVSA-N 1 1 322.369 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096969001 782417624 /nfs/dbraw/zinc/41/76/24/782417624.db2.gz AFWLBHSDZDYJFG-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1)C2 ZINC001096969001 782417631 /nfs/dbraw/zinc/41/76/31/782417631.db2.gz AFWLBHSDZDYJFG-UPJWGTAASA-N 1 1 310.398 -1.214 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001096983281 782417971 /nfs/dbraw/zinc/41/79/71/782417971.db2.gz GXWPJOVEGWTJEZ-CHWFTXMASA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001096983281 782417975 /nfs/dbraw/zinc/41/79/75/782417975.db2.gz GXWPJOVEGWTJEZ-CHWFTXMASA-N 1 1 320.353 -1.406 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001097147408 782419580 /nfs/dbraw/zinc/41/95/80/782419580.db2.gz YIPRJZQVHFDKKP-WISYIIOYSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001097147408 782419581 /nfs/dbraw/zinc/41/95/81/782419581.db2.gz YIPRJZQVHFDKKP-WISYIIOYSA-N 1 1 304.354 -1.112 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081479 782419633 /nfs/dbraw/zinc/41/96/33/782419633.db2.gz CTWRXFWFYJKZJE-KKOKHZNYSA-N 1 1 321.385 -1.129 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081479 782419637 /nfs/dbraw/zinc/41/96/37/782419637.db2.gz CTWRXFWFYJKZJE-KKOKHZNYSA-N 1 1 321.385 -1.129 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001097178083 782419812 /nfs/dbraw/zinc/41/98/12/782419812.db2.gz QIWYSRUICCJBNY-UTUOFQBUSA-N 1 1 317.411 -1.264 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001097211254 782420425 /nfs/dbraw/zinc/42/04/25/782420425.db2.gz KDAKDMNQSUGIJR-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCNC1=O)C2 ZINC001097211254 782420429 /nfs/dbraw/zinc/42/04/29/782420429.db2.gz KDAKDMNQSUGIJR-KKOKHZNYSA-N 1 1 308.382 -1.020 20 0 DAADMO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001097081862 782420525 /nfs/dbraw/zinc/42/05/25/782420525.db2.gz SPNHIQCHEFYEBG-WYUUTHIRSA-N 1 1 319.369 -1.375 20 0 DAADMO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ncnn2)C3)C1=O ZINC001097081862 782420528 /nfs/dbraw/zinc/42/05/28/782420528.db2.gz SPNHIQCHEFYEBG-WYUUTHIRSA-N 1 1 319.369 -1.375 20 0 DAADMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081637 782420571 /nfs/dbraw/zinc/42/05/71/782420571.db2.gz KOCDKMNKGBBREK-MXWKQRLJSA-N 1 1 307.358 -1.517 20 0 DAADMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081637 782420577 /nfs/dbraw/zinc/42/05/77/782420577.db2.gz KOCDKMNKGBBREK-MXWKQRLJSA-N 1 1 307.358 -1.517 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001097378436 782421321 /nfs/dbraw/zinc/42/13/21/782421321.db2.gz MSGCRCLIOBWCBG-QCNOEVLYSA-N 1 1 309.370 -1.316 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)n1 ZINC001097667524 782424068 /nfs/dbraw/zinc/42/40/68/782424068.db2.gz QRJGPFBFMVYZCX-CHWFTXMASA-N 1 1 319.369 -1.176 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)n1 ZINC001097667524 782424072 /nfs/dbraw/zinc/42/40/72/782424072.db2.gz QRJGPFBFMVYZCX-CHWFTXMASA-N 1 1 319.369 -1.176 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001097739481 782425567 /nfs/dbraw/zinc/42/55/67/782425567.db2.gz PUJJQITYWXNICS-PKZYVASSSA-N 1 1 317.349 -1.007 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001097739481 782425570 /nfs/dbraw/zinc/42/55/70/782425570.db2.gz PUJJQITYWXNICS-PKZYVASSSA-N 1 1 317.349 -1.007 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CNC(=O)N1 ZINC001097758603 782427063 /nfs/dbraw/zinc/42/70/63/782427063.db2.gz URIPEOHGCQWTHY-KKOKHZNYSA-N 1 1 319.369 -1.319 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768607 782427302 /nfs/dbraw/zinc/42/73/02/782427302.db2.gz NZVWNTIDSYGAPP-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Nc1nccn2nnnc12 ZINC001097768607 782427310 /nfs/dbraw/zinc/42/73/10/782427310.db2.gz NZVWNTIDSYGAPP-ZJUUUORDSA-N 1 1 320.357 -1.234 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001097768478 782427423 /nfs/dbraw/zinc/42/74/23/782427423.db2.gz ZXPJLNPGBZSMLO-BBBLOLIVSA-N 1 1 323.353 -1.865 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001097765904 782427510 /nfs/dbraw/zinc/42/75/10/782427510.db2.gz IAAKZYMZPASGFG-DBIOUOCHSA-N 1 1 304.354 -1.028 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001098031016 782432449 /nfs/dbraw/zinc/43/24/49/782432449.db2.gz RCGNVFPPIXVCCK-WKJUBOCMSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(=O)NC(=O)C1)C2 ZINC001098031016 782432455 /nfs/dbraw/zinc/43/24/55/782432455.db2.gz RCGNVFPPIXVCCK-WKJUBOCMSA-N 1 1 322.365 -1.366 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C(N)=O)C1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001276388968 782438479 /nfs/dbraw/zinc/43/84/79/782438479.db2.gz MWOGFCMBYXQYOT-SCZZXKLOSA-N 1 1 324.381 -1.260 20 0 DAADMO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069905257 782435393 /nfs/dbraw/zinc/43/53/93/782435393.db2.gz NADLFAGPFHPVLL-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1cncnc1 ZINC001069913995 782436282 /nfs/dbraw/zinc/43/62/82/782436282.db2.gz MVWRFMWSRHXHDF-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1cncnc1 ZINC001069913995 782436283 /nfs/dbraw/zinc/43/62/83/782436283.db2.gz MVWRFMWSRHXHDF-NEPJUHHUSA-N 1 1 303.326 -1.284 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)n1cncn1 ZINC001069912151 782436423 /nfs/dbraw/zinc/43/64/23/782436423.db2.gz PIXATCBKUUFMOQ-UTUOFQBUSA-N 1 1 320.357 -1.535 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)n1cncn1 ZINC001069912151 782436427 /nfs/dbraw/zinc/43/64/27/782436427.db2.gz PIXATCBKUUFMOQ-UTUOFQBUSA-N 1 1 320.357 -1.535 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCNC(=O)C1 ZINC001069909019 782436959 /nfs/dbraw/zinc/43/69/59/782436959.db2.gz CAOKLFGLGLGCBC-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1CCNC(=O)C1 ZINC001069909019 782436973 /nfs/dbraw/zinc/43/69/73/782436973.db2.gz CAOKLFGLGLGCBC-UTUOFQBUSA-N 1 1 322.369 -1.862 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)[nH]n1 ZINC001069909351 782437297 /nfs/dbraw/zinc/43/72/97/782437297.db2.gz SNVWQNHXPDEBQU-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)[nH]n1 ZINC001069909351 782437300 /nfs/dbraw/zinc/43/73/00/782437300.db2.gz SNVWQNHXPDEBQU-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)n[nH]1 ZINC001069909351 782437303 /nfs/dbraw/zinc/43/73/03/782437303.db2.gz SNVWQNHXPDEBQU-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)n[nH]1 ZINC001069909351 782437308 /nfs/dbraw/zinc/43/73/08/782437308.db2.gz SNVWQNHXPDEBQU-OLZOCXBDSA-N 1 1 319.369 -1.114 20 0 DAADMO O=C([C@@H]1COC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098667419 782444930 /nfs/dbraw/zinc/44/49/30/782444930.db2.gz YZYAXJSWMIIGSZ-QWRGUYRKSA-N 1 1 324.341 -1.758 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001098208070 782440042 /nfs/dbraw/zinc/44/00/42/782440042.db2.gz DMOPRQCMAGDEGX-QCNOEVLYSA-N 1 1 324.381 -1.017 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001098338199 782440270 /nfs/dbraw/zinc/44/02/70/782440270.db2.gz PRCWVNYGKHZRDV-WISYIIOYSA-N 1 1 304.354 -1.112 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001098338199 782440275 /nfs/dbraw/zinc/44/02/75/782440275.db2.gz PRCWVNYGKHZRDV-WISYIIOYSA-N 1 1 304.354 -1.112 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001098480963 782441224 /nfs/dbraw/zinc/44/12/24/782441224.db2.gz FSDDCGRWVQNOMG-RTXFEEFZSA-N 1 1 313.398 -1.226 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098348093 782442101 /nfs/dbraw/zinc/44/21/01/782442101.db2.gz KXGVFFRJCNRALC-BBBLOLIVSA-N 1 1 305.338 -1.097 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098353355 782442224 /nfs/dbraw/zinc/44/22/24/782442224.db2.gz HTFCNJYWUXBOBA-ZDCRXTMVSA-N 1 1 322.365 -1.269 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CCC1=O)C2 ZINC001098353355 782442233 /nfs/dbraw/zinc/44/22/33/782442233.db2.gz HTFCNJYWUXBOBA-ZDCRXTMVSA-N 1 1 322.365 -1.269 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO)[C@H]1CCS(=O)(=O)N1 ZINC001098429412 782442248 /nfs/dbraw/zinc/44/22/48/782442248.db2.gz WFDYIRGPVOIXFL-KKOKHZNYSA-N 1 1 317.411 -1.218 20 0 DAADMO CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001098506138 782442455 /nfs/dbraw/zinc/44/24/55/782442455.db2.gz MMVZEACMGRUENJ-UHFFFAOYSA-N 1 1 324.385 -1.160 20 0 DAADMO O=C([C@H]1CCC(=O)N1)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098637098 782444351 /nfs/dbraw/zinc/44/43/51/782444351.db2.gz HRMAYKGALOVJNK-NWDGAFQWSA-N 1 1 322.369 -1.588 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099613211 782453628 /nfs/dbraw/zinc/45/36/28/782453628.db2.gz GBNFDJBTDOLLGC-GHMZBOCLSA-N 1 1 313.354 -1.667 20 0 DAADMO NC(=O)CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098789676 782445739 /nfs/dbraw/zinc/44/57/39/782445739.db2.gz HLOQSYPKHPREIP-GFCCVEGCSA-N 1 1 324.385 -1.211 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001098773349 782446251 /nfs/dbraw/zinc/44/62/51/782446251.db2.gz FNKNUELGIAWMSI-ZOWXZIJZSA-N 1 1 310.398 -1.227 20 0 DAADMO CN1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001098773349 782446256 /nfs/dbraw/zinc/44/62/56/782446256.db2.gz FNKNUELGIAWMSI-ZOWXZIJZSA-N 1 1 310.398 -1.227 20 0 DAADMO O=C(c1cnon1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098752420 782446570 /nfs/dbraw/zinc/44/65/70/782446570.db2.gz XZHPKYIFEUIRCQ-SNVBAGLBSA-N 1 1 307.314 -1.170 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098982340 782447874 /nfs/dbraw/zinc/44/78/74/782447874.db2.gz WJOVMKCMKVVOQI-BFVZDQMLSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnn(C)n2)C1 ZINC001098982340 782447881 /nfs/dbraw/zinc/44/78/81/782447881.db2.gz WJOVMKCMKVVOQI-BFVZDQMLSA-N 1 1 321.385 -1.071 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 ZINC001098974250 782448044 /nfs/dbraw/zinc/44/80/44/782448044.db2.gz LFTICBXVWBWLQL-XEZPLFJOSA-N 1 1 324.425 -1.230 20 0 DAADMO CN1CCN(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)CC1=O ZINC001098908161 782448055 /nfs/dbraw/zinc/44/80/55/782448055.db2.gz ZXNYDNNURMANRC-BBRMVZONSA-N 1 1 324.425 -1.277 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001098974637 782448214 /nfs/dbraw/zinc/44/82/14/782448214.db2.gz CVVGWUAQQRCEEQ-RWSFTLGLSA-N 1 1 308.382 -1.161 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001098881739 782448299 /nfs/dbraw/zinc/44/82/99/782448299.db2.gz YFZASXURQOVTAE-FZNYLWTLSA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001098881739 782448303 /nfs/dbraw/zinc/44/83/03/782448303.db2.gz YFZASXURQOVTAE-FZNYLWTLSA-N 1 1 323.353 -1.960 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCNC2=O)C1 ZINC001098919016 782448433 /nfs/dbraw/zinc/44/84/33/782448433.db2.gz OXNIWMVRESUDHD-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCNC2=O)C1 ZINC001098919016 782448441 /nfs/dbraw/zinc/44/84/41/782448441.db2.gz OXNIWMVRESUDHD-NHYWBVRUSA-N 1 1 323.397 -1.142 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001099081369 782448794 /nfs/dbraw/zinc/44/87/94/782448794.db2.gz PYNGCCNTBTZNBC-HZMBPMFUSA-N 1 1 310.354 -1.499 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)Cn2ncnn2)[N@H+](CC(N)=O)C1 ZINC001099081045 782449023 /nfs/dbraw/zinc/44/90/23/782449023.db2.gz UZSGOTALRMLNFM-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)Cn2ncnn2)[N@@H+](CC(N)=O)C1 ZINC001099081045 782449028 /nfs/dbraw/zinc/44/90/28/782449028.db2.gz UZSGOTALRMLNFM-JTQLQIEISA-N 1 1 309.374 -1.235 20 0 DAADMO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@H]1CCS(=O)(=O)N1 ZINC001099168011 782449732 /nfs/dbraw/zinc/44/97/32/782449732.db2.gz CWDLZIURBNROIZ-LOWVWBTDSA-N 1 1 317.411 -1.359 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1=O ZINC001099152451 782449938 /nfs/dbraw/zinc/44/99/38/782449938.db2.gz KEKLSXREOKDKOS-NHYWBVRUSA-N 1 1 324.381 -1.157 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001099152124 782450149 /nfs/dbraw/zinc/45/01/49/782450149.db2.gz FKMOVSPGENAMLE-NHYWBVRUSA-N 1 1 324.381 -1.109 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)n(C)c1=O ZINC001099178250 782450261 /nfs/dbraw/zinc/45/02/61/782450261.db2.gz HFXISWRYYUZTKP-BONVTDFDSA-N 1 1 321.381 -1.207 20 0 DAADMO Cn1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)n(C)c1=O ZINC001099178250 782450263 /nfs/dbraw/zinc/45/02/63/782450263.db2.gz HFXISWRYYUZTKP-BONVTDFDSA-N 1 1 321.381 -1.207 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001099152463 782450417 /nfs/dbraw/zinc/45/04/17/782450417.db2.gz KUPWYQUKBWJYPB-PGUXBMHVSA-N 1 1 324.381 -1.110 20 0 DAADMO Cn1nnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001099292168 782450778 /nfs/dbraw/zinc/45/07/78/782450778.db2.gz IVSNZCVLOSGZLM-PHDIDXHHSA-N 1 1 321.263 -1.712 20 0 DAADMO NC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099228259 782450875 /nfs/dbraw/zinc/45/08/75/782450875.db2.gz OHLRJASNCASUCK-BWZBUEFSSA-N 1 1 322.287 -1.271 20 0 DAADMO NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C(F)(F)F ZINC001099298213 782450942 /nfs/dbraw/zinc/45/09/42/782450942.db2.gz WEWJYHCJIOQXEB-FSDSQADBSA-N 1 1 323.275 -1.868 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCNC(N)=O ZINC001099552867 782451781 /nfs/dbraw/zinc/45/17/81/782451781.db2.gz PXPLEDOJBDPWBR-QCNOEVLYSA-N 1 1 323.397 -1.301 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099402121 782452349 /nfs/dbraw/zinc/45/23/49/782452349.db2.gz QJHALGAEFKSKLQ-USZNOCQGSA-N 1 1 323.397 -1.431 20 0 DAADMO Cn1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C(N)=O)C3)n1 ZINC001099486654 782452430 /nfs/dbraw/zinc/45/24/30/782452430.db2.gz JYQOGWGPEFOWQK-ZANVPECISA-N 1 1 307.358 -1.586 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099605347 782453182 /nfs/dbraw/zinc/45/31/82/782453182.db2.gz UCTUCVUOWAGHDP-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]1O ZINC001099605347 782453187 /nfs/dbraw/zinc/45/31/87/782453187.db2.gz UCTUCVUOWAGHDP-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cnccn1 ZINC001099625127 782455848 /nfs/dbraw/zinc/45/58/48/782455848.db2.gz WTUZZRWWFQODTM-AAEUAGOBSA-N 1 1 310.354 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099629743 782457026 /nfs/dbraw/zinc/45/70/26/782457026.db2.gz GYZZPEYVMGHILP-UONOGXRCSA-N 1 1 323.397 -1.350 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099629615 782457036 /nfs/dbraw/zinc/45/70/36/782457036.db2.gz FNEGCIKUOXFTHX-RYUDHWBXSA-N 1 1 303.359 -2.317 20 0 DAADMO Cc1cnc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cn1 ZINC001099631334 782457200 /nfs/dbraw/zinc/45/72/00/782457200.db2.gz VRQSINUQIHWEBU-JSGCOSHPSA-N 1 1 324.381 -1.041 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099629685 782457300 /nfs/dbraw/zinc/45/73/00/782457300.db2.gz GHWBSRDRCOIMMM-GHMZBOCLSA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099629685 782457305 /nfs/dbraw/zinc/45/73/05/782457305.db2.gz GHWBSRDRCOIMMM-GHMZBOCLSA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099629687 782457469 /nfs/dbraw/zinc/45/74/69/782457469.db2.gz GHWBSRDRCOIMMM-QWRGUYRKSA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099629687 782457473 /nfs/dbraw/zinc/45/74/73/782457473.db2.gz GHWBSRDRCOIMMM-QWRGUYRKSA-N 1 1 300.359 -2.238 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001099631394 782457735 /nfs/dbraw/zinc/45/77/35/782457735.db2.gz WFHNHUWWHCOPSN-MNOVXSKESA-N 1 1 323.340 -1.044 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631764 782458825 /nfs/dbraw/zinc/45/88/25/782458825.db2.gz YXKSRMCKUJFKPX-STQMWFEESA-N 1 1 317.386 -1.663 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1=COCCO1 ZINC001099641758 782459231 /nfs/dbraw/zinc/45/92/31/782459231.db2.gz HQFZELRJFOBDRJ-NEPJUHHUSA-N 1 1 316.354 -1.565 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099644897 782461731 /nfs/dbraw/zinc/46/17/31/782461731.db2.gz LACFIINSGANKAI-MNOVXSKESA-N 1 1 314.346 -2.767 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001099650808 782460737 /nfs/dbraw/zinc/46/07/37/782460737.db2.gz KUNWLOPNKUCBBS-RYUDHWBXSA-N 1 1 314.386 -1.367 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651031 782460818 /nfs/dbraw/zinc/46/08/18/782460818.db2.gz OJCSITZBWWEPSH-MNOVXSKESA-N 1 1 302.375 -1.369 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001099650144 782461056 /nfs/dbraw/zinc/46/10/56/782461056.db2.gz AHHRCXILFOUGFV-RYUDHWBXSA-N 1 1 324.385 -1.818 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099651289 782461223 /nfs/dbraw/zinc/46/12/23/782461223.db2.gz RZJDQORUONNNAP-GHMZBOCLSA-N 1 1 310.358 -1.897 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099644854 782461263 /nfs/dbraw/zinc/46/12/63/782461263.db2.gz KTUFXGRYCJCKQS-NEPJUHHUSA-N 1 1 312.374 -1.351 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650637 782461337 /nfs/dbraw/zinc/46/13/37/782461337.db2.gz ICMVCFGQLIQUFM-VXGBXAGGSA-N 1 1 324.385 -1.818 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099644898 782461578 /nfs/dbraw/zinc/46/15/78/782461578.db2.gz LACFIINSGANKAI-QWRGUYRKSA-N 1 1 314.346 -2.767 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099663887 782463518 /nfs/dbraw/zinc/46/35/18/782463518.db2.gz VFCNRVMBDWWXEJ-CHWSQXEVSA-N 1 1 312.370 -1.557 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001099652517 782463540 /nfs/dbraw/zinc/46/35/40/782463540.db2.gz ZXRWNFSNZVROAB-CHWSQXEVSA-N 1 1 312.370 -1.406 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001099651779 782464248 /nfs/dbraw/zinc/46/42/48/782464248.db2.gz WSMIIQAKOZZNER-NWDGAFQWSA-N 1 1 314.386 -1.367 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC001099665998 782464727 /nfs/dbraw/zinc/46/47/27/782464727.db2.gz OHNDLNOQQATPRD-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001099665998 782464731 /nfs/dbraw/zinc/46/47/31/782464731.db2.gz OHNDLNOQQATPRD-VXGBXAGGSA-N 1 1 307.354 -1.199 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666237 782465130 /nfs/dbraw/zinc/46/51/30/782465130.db2.gz RYSJCODGRAPLKK-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666237 782465139 /nfs/dbraw/zinc/46/51/39/782465139.db2.gz RYSJCODGRAPLKK-QWRGUYRKSA-N 1 1 310.358 -1.860 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)ncn1 ZINC001099666273 782465630 /nfs/dbraw/zinc/46/56/30/782465630.db2.gz SQFFPKPNLFWSBO-RYUDHWBXSA-N 1 1 322.369 -1.495 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)ncn1 ZINC001099666273 782465637 /nfs/dbraw/zinc/46/56/37/782465637.db2.gz SQFFPKPNLFWSBO-RYUDHWBXSA-N 1 1 322.369 -1.495 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001099665997 782465943 /nfs/dbraw/zinc/46/59/43/782465943.db2.gz OHNDLNOQQATPRD-RYUDHWBXSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001099665997 782465947 /nfs/dbraw/zinc/46/59/47/782465947.db2.gz OHNDLNOQQATPRD-RYUDHWBXSA-N 1 1 307.354 -1.199 20 0 DAADMO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001099668302 782466745 /nfs/dbraw/zinc/46/67/45/782466745.db2.gz BVBRUDGZSPJXPX-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)o1 ZINC001099668302 782466753 /nfs/dbraw/zinc/46/67/53/782466753.db2.gz BVBRUDGZSPJXPX-QWRGUYRKSA-N 1 1 311.342 -1.297 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001099666519 782467006 /nfs/dbraw/zinc/46/70/06/782467006.db2.gz XZLLGOCXACDVBO-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001099666519 782467010 /nfs/dbraw/zinc/46/70/10/782467010.db2.gz XZLLGOCXACDVBO-NEPJUHHUSA-N 1 1 307.354 -1.199 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)cn1 ZINC001099650143 782461895 /nfs/dbraw/zinc/46/18/95/782461895.db2.gz AHHRCXILFOUGFV-NWDGAFQWSA-N 1 1 324.385 -1.818 20 0 DAADMO CCOCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099647867 782462164 /nfs/dbraw/zinc/46/21/64/782462164.db2.gz KSUBFDIDZPAFNK-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099660921 782463172 /nfs/dbraw/zinc/46/31/72/782463172.db2.gz RRDYREXCGQSHHF-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cccn2)[C@H](O)C1 ZINC001099660921 782463175 /nfs/dbraw/zinc/46/31/75/782463175.db2.gz RRDYREXCGQSHHF-QWHCGFSZSA-N 1 1 323.397 -1.087 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099738468 782473803 /nfs/dbraw/zinc/47/38/03/782473803.db2.gz NSEIDPYKSDZKND-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099738468 782473807 /nfs/dbraw/zinc/47/38/07/782473807.db2.gz NSEIDPYKSDZKND-QWHCGFSZSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001099738467 782473855 /nfs/dbraw/zinc/47/38/55/782473855.db2.gz NSEIDPYKSDZKND-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001099738467 782473859 /nfs/dbraw/zinc/47/38/59/782473859.db2.gz NSEIDPYKSDZKND-OLZOCXBDSA-N 1 1 323.397 -1.002 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099743679 782474451 /nfs/dbraw/zinc/47/44/51/782474451.db2.gz NMTCDZYGTKTJDD-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO COCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099743679 782474464 /nfs/dbraw/zinc/47/44/64/782474464.db2.gz NMTCDZYGTKTJDD-NWDGAFQWSA-N 1 1 317.386 -1.711 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc1=O ZINC001099743400 782474905 /nfs/dbraw/zinc/47/49/05/782474905.db2.gz JATYLEAUJFQVGQ-RYUDHWBXSA-N 1 1 322.365 -1.688 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001099666520 782467994 /nfs/dbraw/zinc/46/79/94/782467994.db2.gz XZLLGOCXACDVBO-NWDGAFQWSA-N 1 1 307.354 -1.199 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001099666520 782467998 /nfs/dbraw/zinc/46/79/98/782467998.db2.gz XZLLGOCXACDVBO-NWDGAFQWSA-N 1 1 307.354 -1.199 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666459 782468105 /nfs/dbraw/zinc/46/81/05/782468105.db2.gz WLSGOHBTTANZDV-BDAKNGLRSA-N 1 1 301.347 -2.706 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666459 782468110 /nfs/dbraw/zinc/46/81/10/782468110.db2.gz WLSGOHBTTANZDV-BDAKNGLRSA-N 1 1 301.347 -2.706 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684435 782470021 /nfs/dbraw/zinc/47/00/21/782470021.db2.gz RPRNIIGNEAVQNO-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccn2)[C@@H](O)C1 ZINC001099684435 782470027 /nfs/dbraw/zinc/47/00/27/782470027.db2.gz RPRNIIGNEAVQNO-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO CCCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099715958 782471312 /nfs/dbraw/zinc/47/13/12/782471312.db2.gz NUAGDKKJYAGFGL-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099704866 782471845 /nfs/dbraw/zinc/47/18/45/782471845.db2.gz RQEGUIZCIAHLJQ-NXEZZACHSA-N 1 1 316.358 -2.018 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099704866 782471849 /nfs/dbraw/zinc/47/18/49/782471849.db2.gz RQEGUIZCIAHLJQ-NXEZZACHSA-N 1 1 316.358 -2.018 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099708172 782471911 /nfs/dbraw/zinc/47/19/11/782471911.db2.gz YUYHSRBRJPMGNJ-QWRGUYRKSA-N 1 1 303.359 -1.070 20 0 DAADMO COCCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099746811 782476763 /nfs/dbraw/zinc/47/67/63/782476763.db2.gz OUBNNTGQNNFKEJ-OLZOCXBDSA-N 1 1 320.386 -1.790 20 0 DAADMO CCC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099746015 782477133 /nfs/dbraw/zinc/47/71/33/782477133.db2.gz BFFGNDWWTDQEEP-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C2)cn1 ZINC001099758613 782478927 /nfs/dbraw/zinc/47/89/27/782478927.db2.gz VQJBOKUQHMYRIU-VXGBXAGGSA-N 1 1 309.370 -1.611 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)n1 ZINC001099758551 782479407 /nfs/dbraw/zinc/47/94/07/782479407.db2.gz UXGKVUXRYCJZMB-OLZOCXBDSA-N 1 1 323.397 -1.073 20 0 DAADMO CCn1cc(CC[N@H+]2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)cn1 ZINC001099758516 782479421 /nfs/dbraw/zinc/47/94/21/782479421.db2.gz UIHAWYBQUDHWRP-QWHCGFSZSA-N 1 1 323.397 -1.128 20 0 DAADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)cnn1 ZINC001099791862 782484652 /nfs/dbraw/zinc/48/46/52/782484652.db2.gz LQEXYRMEZCMJBJ-KBPBESRZSA-N 1 1 324.381 -1.041 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099791580 782484872 /nfs/dbraw/zinc/48/48/72/782484872.db2.gz HESFVQCGHDHECT-QWRGUYRKSA-N 1 1 310.358 -2.034 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099791642 782485003 /nfs/dbraw/zinc/48/50/03/782485003.db2.gz IDPNJKXUJONZBM-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099791642 782485008 /nfs/dbraw/zinc/48/50/08/782485008.db2.gz IDPNJKXUJONZBM-NEPJUHHUSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C[C@H]1O ZINC001099791537 782485279 /nfs/dbraw/zinc/48/52/79/782485279.db2.gz GQQDKMPMARZGOV-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001099791537 782485281 /nfs/dbraw/zinc/48/52/81/782485281.db2.gz GQQDKMPMARZGOV-VXGBXAGGSA-N 1 1 309.370 -1.392 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099791558 782485378 /nfs/dbraw/zinc/48/53/78/782485378.db2.gz HAHLTPSCBJMSRS-NXEZZACHSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099791558 782485383 /nfs/dbraw/zinc/48/53/83/782485383.db2.gz HAHLTPSCBJMSRS-NXEZZACHSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001099791614 782485498 /nfs/dbraw/zinc/48/54/98/782485498.db2.gz HUDRDAZSJBTVOT-NXEZZACHSA-N 1 1 323.340 -1.044 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001099791344 782485539 /nfs/dbraw/zinc/48/55/39/782485539.db2.gz DBBLFQSXSNITPE-QWHCGFSZSA-N 1 1 323.397 -1.350 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C1=CCOCC1 ZINC001099787591 782482693 /nfs/dbraw/zinc/48/26/93/782482693.db2.gz YEMIXVITFGDRDE-KGLIPLIRSA-N 1 1 314.382 -1.107 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099796613 782489351 /nfs/dbraw/zinc/48/93/51/782489351.db2.gz GUCNPLCIARJYLI-NWDGAFQWSA-N 1 1 317.386 -1.927 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001099801824 782488166 /nfs/dbraw/zinc/48/81/66/782488166.db2.gz KTFSPBRAVUQMJJ-GHMZBOCLSA-N 1 1 313.358 -2.011 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804349 782490473 /nfs/dbraw/zinc/49/04/73/782490473.db2.gz LWUCYFWRTXVPJG-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804349 782490480 /nfs/dbraw/zinc/49/04/80/782490480.db2.gz LWUCYFWRTXVPJG-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809275 782490500 /nfs/dbraw/zinc/49/05/00/782490500.db2.gz FIXPHTXQOQVQGW-MNOVXSKESA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)[C@@H](O)C1 ZINC001099809275 782490503 /nfs/dbraw/zinc/49/05/03/782490503.db2.gz FIXPHTXQOQVQGW-MNOVXSKESA-N 1 1 301.387 -1.213 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824436 782492568 /nfs/dbraw/zinc/49/25/68/782492568.db2.gz SYZUKBBUGQQJSA-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)[C@@H](O)C1 ZINC001099824436 782492574 /nfs/dbraw/zinc/49/25/74/782492574.db2.gz SYZUKBBUGQQJSA-NEPJUHHUSA-N 1 1 313.398 -1.069 20 0 DAADMO COCCC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099841759 782496075 /nfs/dbraw/zinc/49/60/75/782496075.db2.gz MVSSEOAVBSMTJY-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001099841759 782496081 /nfs/dbraw/zinc/49/60/81/782496081.db2.gz MVSSEOAVBSMTJY-RYUDHWBXSA-N 1 1 320.411 -1.381 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099845332 782496858 /nfs/dbraw/zinc/49/68/58/782496858.db2.gz VSLNXVVORSYUMX-RYUDHWBXSA-N 1 1 313.358 -2.162 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099815878 782492915 /nfs/dbraw/zinc/49/29/15/782492915.db2.gz NPOFJEIYYCXQFW-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC001099815878 782492920 /nfs/dbraw/zinc/49/29/20/782492920.db2.gz NPOFJEIYYCXQFW-CMPLNLGQSA-N 1 1 324.385 -1.542 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099814039 782492977 /nfs/dbraw/zinc/49/29/77/782492977.db2.gz YNURMSISBQXDHI-NWDGAFQWSA-N 1 1 316.402 -1.107 20 0 DAADMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)nn1 ZINC001099813154 782493069 /nfs/dbraw/zinc/49/30/69/782493069.db2.gz KTUVVVOAKNMTMN-GXTWGEPZSA-N 1 1 324.381 -1.041 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099832917 782494497 /nfs/dbraw/zinc/49/44/97/782494497.db2.gz OPEYFJHOTMHYNM-MNOVXSKESA-N 1 1 307.416 -1.115 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099858652 782498716 /nfs/dbraw/zinc/49/87/16/782498716.db2.gz OYSUNRHSHFXRMY-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001099858652 782498719 /nfs/dbraw/zinc/49/87/19/782498719.db2.gz OYSUNRHSHFXRMY-RYUDHWBXSA-N 1 1 324.385 -1.600 20 0 DAADMO O=C(CCCNC(=O)C1CC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099857874 782498785 /nfs/dbraw/zinc/49/87/85/782498785.db2.gz DJACNKHGJNIHGC-CHWSQXEVSA-N 1 1 313.398 -1.164 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099862759 782500846 /nfs/dbraw/zinc/50/08/46/782500846.db2.gz ATQJXHNVZMABLJ-VXGBXAGGSA-N 1 1 317.386 -1.927 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099863121 782501068 /nfs/dbraw/zinc/50/10/68/782501068.db2.gz IPZRWYIRFTYHTK-NWDGAFQWSA-N 1 1 317.386 -1.975 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001099862932 782501123 /nfs/dbraw/zinc/50/11/23/782501123.db2.gz FWFKPJDAJUUXEQ-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099857993 782499344 /nfs/dbraw/zinc/49/93/44/782499344.db2.gz FWWIOJRUOJFBKW-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099857993 782499348 /nfs/dbraw/zinc/49/93/48/782499348.db2.gz FWWIOJRUOJFBKW-VXGBXAGGSA-N 1 1 324.385 -1.600 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099860486 782499383 /nfs/dbraw/zinc/49/93/83/782499383.db2.gz CMOPCAKLZQYRCN-QWRGUYRKSA-N 1 1 307.416 -1.115 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860995 782501737 /nfs/dbraw/zinc/50/17/37/782501737.db2.gz LIEAWECONNXRNV-WDEREUQCSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099863972 782502830 /nfs/dbraw/zinc/50/28/30/782502830.db2.gz PASQOQVXJUCQHQ-MNOVXSKESA-N 1 1 318.374 -2.524 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001099881982 782502882 /nfs/dbraw/zinc/50/28/82/782502882.db2.gz MJXTWFOKSXIMOQ-AAEUAGOBSA-N 1 1 324.381 -1.018 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099863755 782503629 /nfs/dbraw/zinc/50/36/29/782503629.db2.gz NTOCADXNGJWMNV-WDEREUQCSA-N 1 1 303.359 -2.365 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099883231 782504808 /nfs/dbraw/zinc/50/48/08/782504808.db2.gz YNMFVKQINRXXSO-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099883231 782504812 /nfs/dbraw/zinc/50/48/12/782504812.db2.gz YNMFVKQINRXXSO-VXGBXAGGSA-N 1 1 323.397 -1.017 20 0 DAADMO Cn1ccnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099887723 782505515 /nfs/dbraw/zinc/50/55/15/782505515.db2.gz JVVXJIYROYYOKV-NWDGAFQWSA-N 1 1 312.370 -1.520 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001099894402 782506879 /nfs/dbraw/zinc/50/68/79/782506879.db2.gz KKLWJDXCWBYASL-RYUDHWBXSA-N 1 1 314.386 -1.802 20 0 DAADMO O=C(NCC(F)F)C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099902243 782508725 /nfs/dbraw/zinc/50/87/25/782508725.db2.gz WCTWNPAPOOIGEN-DTWKUNHWSA-N 1 1 309.313 -1.699 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)c1=O ZINC001099935315 782513186 /nfs/dbraw/zinc/51/31/86/782513186.db2.gz LZCUKKNJLGHUEL-CHWSQXEVSA-N 1 1 323.397 -1.067 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099935460 782513421 /nfs/dbraw/zinc/51/34/21/782513421.db2.gz OEYHDIDPKIDRHW-NWDGAFQWSA-N 1 1 311.386 -1.068 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099936827 782515378 /nfs/dbraw/zinc/51/53/78/782515378.db2.gz FHLBMFWWFJNQQE-OLZOCXBDSA-N 1 1 312.370 -1.108 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001099941854 782514288 /nfs/dbraw/zinc/51/42/88/782514288.db2.gz IGFKHUCQJWVCMB-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)[C@H](O)C1 ZINC001099941854 782514292 /nfs/dbraw/zinc/51/42/92/782514292.db2.gz IGFKHUCQJWVCMB-WDEREUQCSA-N 1 1 324.385 -1.244 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099938426 782514596 /nfs/dbraw/zinc/51/45/96/782514596.db2.gz VVUUQSHAHBMZAL-RKDXNWHRSA-N 1 1 310.376 -3.416 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936961 782515104 /nfs/dbraw/zinc/51/51/04/782515104.db2.gz HDTATDRHGJAHMT-WDEREUQCSA-N 1 1 322.431 -1.608 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001099937941 782515320 /nfs/dbraw/zinc/51/53/20/782515320.db2.gz ODZWMNOWAXTRHM-QWRGUYRKSA-N 1 1 322.431 -1.752 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936814 782512104 /nfs/dbraw/zinc/51/21/04/782512104.db2.gz FBRVYMGLBWKLBX-NXEZZACHSA-N 1 1 308.404 -1.998 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099935459 782512156 /nfs/dbraw/zinc/51/21/56/782512156.db2.gz OEYHDIDPKIDRHW-NEPJUHHUSA-N 1 1 311.386 -1.068 20 0 DAADMO COCCCC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099947684 782518089 /nfs/dbraw/zinc/51/80/89/782518089.db2.gz ZBBXQTFUKQUSDY-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973377 782520432 /nfs/dbraw/zinc/52/04/32/782520432.db2.gz BXMILELLDGKDDC-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973377 782520442 /nfs/dbraw/zinc/52/04/42/782520442.db2.gz BXMILELLDGKDDC-NXEZZACHSA-N 1 1 315.374 -2.269 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099936890 782515518 /nfs/dbraw/zinc/51/55/18/782515518.db2.gz GPSVRAQDKSLNMX-GHMZBOCLSA-N 1 1 320.415 -1.998 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099938424 782515587 /nfs/dbraw/zinc/51/55/87/782515587.db2.gz VVUUQSHAHBMZAL-DTWKUNHWSA-N 1 1 310.376 -3.416 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001099937942 782515873 /nfs/dbraw/zinc/51/58/73/782515873.db2.gz ODZWMNOWAXTRHM-WDEREUQCSA-N 1 1 322.431 -1.752 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979580 782521009 /nfs/dbraw/zinc/52/10/09/782521009.db2.gz XDYHMXDVMQZCGX-IUCAKERBSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979580 782521014 /nfs/dbraw/zinc/52/10/14/782521014.db2.gz XDYHMXDVMQZCGX-IUCAKERBSA-N 1 1 300.359 -2.062 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980637 782521132 /nfs/dbraw/zinc/52/11/32/782521132.db2.gz JCZYGSJKDNZPHD-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980637 782521136 /nfs/dbraw/zinc/52/11/36/782521136.db2.gz JCZYGSJKDNZPHD-NXEZZACHSA-N 1 1 312.370 -2.109 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980171 782521532 /nfs/dbraw/zinc/52/15/32/782521532.db2.gz CTQREVCOYDYHDG-QWRGUYRKSA-N 1 1 323.415 -1.747 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099979186 782521903 /nfs/dbraw/zinc/52/19/03/782521903.db2.gz QRKAFJGHXBMWNW-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099979186 782521912 /nfs/dbraw/zinc/52/19/12/782521912.db2.gz QRKAFJGHXBMWNW-NEPJUHHUSA-N 1 1 321.381 -1.263 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099981731 782523555 /nfs/dbraw/zinc/52/35/55/782523555.db2.gz RYYYIWNCLSVUAM-WDEREUQCSA-N 1 1 315.370 -2.188 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1ccnnc1 ZINC001100013545 782527833 /nfs/dbraw/zinc/52/78/33/782527833.db2.gz OVHRQSLAWGQCQV-CHWSQXEVSA-N 1 1 310.354 -1.350 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100020026 782528762 /nfs/dbraw/zinc/52/87/62/782528762.db2.gz KIJLNOCCTMNVBG-UWVGGRQHSA-N 1 1 308.404 -2.046 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100020028 782529325 /nfs/dbraw/zinc/52/93/25/782529325.db2.gz KIJLNOCCTMNVBG-ZJUUUORDSA-N 1 1 308.404 -2.046 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)n1 ZINC001100028609 782530808 /nfs/dbraw/zinc/53/08/08/782530808.db2.gz ADCVAVWXYLNMEN-VXGBXAGGSA-N 1 1 312.370 -1.108 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100026786 782531057 /nfs/dbraw/zinc/53/10/57/782531057.db2.gz HYMFFMHQZQZRDK-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001100026786 782531067 /nfs/dbraw/zinc/53/10/67/782531067.db2.gz HYMFFMHQZQZRDK-MNOVXSKESA-N 1 1 314.386 -1.896 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](O)C1 ZINC001100028894 782531597 /nfs/dbraw/zinc/53/15/97/782531597.db2.gz FFUVTQNZCVIXSA-NXEZZACHSA-N 1 1 307.416 -1.115 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001100030008 782532672 /nfs/dbraw/zinc/53/26/72/782532672.db2.gz UWSUWJFKKHXTFE-PWSUYJOCSA-N 1 1 313.358 -2.011 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](O)C1 ZINC001100037116 782533709 /nfs/dbraw/zinc/53/37/09/782533709.db2.gz UIVPKBGWVYASPM-NEPJUHHUSA-N 1 1 324.381 -1.112 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100032401 782535210 /nfs/dbraw/zinc/53/52/10/782535210.db2.gz UWIIFFQBLKEFFT-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100032401 782535217 /nfs/dbraw/zinc/53/52/17/782535217.db2.gz UWIIFFQBLKEFFT-OLZOCXBDSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100032402 782535334 /nfs/dbraw/zinc/53/53/34/782535334.db2.gz UWIIFFQBLKEFFT-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H](O)C1 ZINC001100032402 782535340 /nfs/dbraw/zinc/53/53/40/782535340.db2.gz UWIIFFQBLKEFFT-QWHCGFSZSA-N 1 1 323.397 -1.018 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045496 782539979 /nfs/dbraw/zinc/53/99/79/782539979.db2.gz BUUIODIPEOPTJN-VXGBXAGGSA-N 1 1 312.374 -1.349 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100051809 782541195 /nfs/dbraw/zinc/54/11/95/782541195.db2.gz ZXNOVAWKHCBTKN-CHWSQXEVSA-N 1 1 324.381 -1.433 20 0 DAADMO O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100051811 782541382 /nfs/dbraw/zinc/54/13/82/782541382.db2.gz ZXNOVAWKHCBTKN-QWHCGFSZSA-N 1 1 324.381 -1.433 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100058257 782541956 /nfs/dbraw/zinc/54/19/56/782541956.db2.gz POWJVUYBZCMPBC-WDEREUQCSA-N 1 1 313.358 -2.125 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC001100064959 782543529 /nfs/dbraw/zinc/54/35/29/782543529.db2.gz VDYFSKPZMKVDIG-QWHCGFSZSA-N 1 1 314.430 -1.032 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100072648 782543712 /nfs/dbraw/zinc/54/37/12/782543712.db2.gz YPCUXHUCMDZTGH-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100091602 782546396 /nfs/dbraw/zinc/54/63/96/782546396.db2.gz FFOFNMRCXDKCJN-QWHCGFSZSA-N 1 1 301.387 -1.211 20 0 DAADMO CCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100078795 782547091 /nfs/dbraw/zinc/54/70/91/782547091.db2.gz OMUHSBIADNTPRP-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO CC(=O)N(C)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100091604 782547601 /nfs/dbraw/zinc/54/76/01/782547601.db2.gz FFOFNMRCXDKCJN-STQMWFEESA-N 1 1 301.387 -1.211 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100083859 782548527 /nfs/dbraw/zinc/54/85/27/782548527.db2.gz WOYCKUGUTQMFMF-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CN(C)C(=O)C1(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001100072684 782548673 /nfs/dbraw/zinc/54/86/73/782548673.db2.gz ZBEDJXDYHCYXFH-NEPJUHHUSA-N 1 1 313.398 -1.211 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001100092873 782549105 /nfs/dbraw/zinc/54/91/05/782549105.db2.gz UEVLHBBZVUXFMF-NWDGAFQWSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100092742 782549274 /nfs/dbraw/zinc/54/92/74/782549274.db2.gz RNZSNOJVVCGOLF-QWRGUYRKSA-N 1 1 323.415 -1.924 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001100096977 782549530 /nfs/dbraw/zinc/54/95/30/782549530.db2.gz PLKZMQSJKGRYRC-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100092640 782549952 /nfs/dbraw/zinc/54/99/52/782549952.db2.gz PZIZBUBKWRETMA-NXEZZACHSA-N 1 1 309.388 -2.579 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100092205 782550348 /nfs/dbraw/zinc/55/03/48/782550348.db2.gz LDDVJLZRHLMPPQ-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100092205 782550355 /nfs/dbraw/zinc/55/03/55/782550355.db2.gz LDDVJLZRHLMPPQ-VHSXEESVSA-N 1 1 311.379 -1.601 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100106542 782551253 /nfs/dbraw/zinc/55/12/53/782551253.db2.gz WCYIVCVGABXMJC-GHMZBOCLSA-N 1 1 318.374 -2.395 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106471 782552298 /nfs/dbraw/zinc/55/22/98/782552298.db2.gz VFYYCAJMVZYEFK-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](O)C1 ZINC001100102826 782552608 /nfs/dbraw/zinc/55/26/08/782552608.db2.gz BKTRXIXSZQXEES-GHMZBOCLSA-N 1 1 312.370 -1.110 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100102909 782552642 /nfs/dbraw/zinc/55/26/42/782552642.db2.gz CPAYDJFQNWFNFK-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100102909 782552648 /nfs/dbraw/zinc/55/26/48/782552648.db2.gz CPAYDJFQNWFNFK-VXGBXAGGSA-N 1 1 324.385 -1.470 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001100105122 782553277 /nfs/dbraw/zinc/55/32/77/782553277.db2.gz FHSKVRSZDOVLEB-VXGBXAGGSA-N 1 1 324.385 -1.507 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100114692 782555507 /nfs/dbraw/zinc/55/55/07/782555507.db2.gz RZNIGAVLHPKUMI-VXGBXAGGSA-N 1 1 322.427 -1.255 20 0 DAADMO CCCS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100114692 782555514 /nfs/dbraw/zinc/55/55/14/782555514.db2.gz RZNIGAVLHPKUMI-VXGBXAGGSA-N 1 1 322.427 -1.255 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100121882 782556619 /nfs/dbraw/zinc/55/66/19/782556619.db2.gz IFKKEWYACQSWOI-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO O=C(CNC(=O)c1ccccn1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100119262 782557435 /nfs/dbraw/zinc/55/74/35/782557435.db2.gz HLIDHPMQLXPRGK-YPMHNXCESA-N 1 1 322.365 -1.645 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100118083 782557760 /nfs/dbraw/zinc/55/77/60/782557760.db2.gz UUGXMIKJLHACTM-NXEZZACHSA-N 1 1 309.388 -2.531 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131984 782559593 /nfs/dbraw/zinc/55/95/93/782559593.db2.gz LQXGCSKHWCXDCW-NWDGAFQWSA-N 1 1 300.403 -1.376 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100134850 782560203 /nfs/dbraw/zinc/56/02/03/782560203.db2.gz XUYJSHXDIRRYLR-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CNC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100134848 782560343 /nfs/dbraw/zinc/56/03/43/782560343.db2.gz XUYJSHXDIRRYLR-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CCOCCOCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100134776 782560754 /nfs/dbraw/zinc/56/07/54/782560754.db2.gz WIBLGWOHAZMSRW-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)nn1 ZINC001100147469 782561874 /nfs/dbraw/zinc/56/18/74/782561874.db2.gz OALPMWXQNPVVGR-OLZOCXBDSA-N 1 1 311.386 -1.319 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100143136 782562400 /nfs/dbraw/zinc/56/24/00/782562400.db2.gz OQDRTCNTNZUELD-NEPJUHHUSA-N 1 1 317.386 -1.798 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143617 782562720 /nfs/dbraw/zinc/56/27/20/782562720.db2.gz XGQGYTIZXRXPBO-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143617 782562732 /nfs/dbraw/zinc/56/27/32/782562732.db2.gz XGQGYTIZXRXPBO-MNOVXSKESA-N 1 1 314.386 -1.718 20 0 DAADMO COCCOCC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100198131 782563890 /nfs/dbraw/zinc/56/38/90/782563890.db2.gz PJTRZMFMJKRPTM-UHFFFAOYSA-N 1 1 312.374 -1.143 20 0 DAADMO CNC(=O)NCCC(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001100298824 782569064 /nfs/dbraw/zinc/56/90/64/782569064.db2.gz CZRYGHNBFOZJIX-UHFFFAOYSA-N 1 1 324.389 -1.486 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001100403720 782573023 /nfs/dbraw/zinc/57/30/23/782573023.db2.gz WODYUDPCVUUUJY-YVNMAJEFSA-N 1 1 321.385 -1.279 20 0 DAADMO C[C@@H]([NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1)C(=O)NC(N)=O ZINC001100475195 782576160 /nfs/dbraw/zinc/57/61/60/782576160.db2.gz HHXXZBWDJJOMTQ-JECWYVHBSA-N 1 1 309.330 -1.514 20 0 DAADMO CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)c2cnn[nH]2)C1 ZINC001100475390 782576557 /nfs/dbraw/zinc/57/65/57/782576557.db2.gz QELKJGVUIIFJEH-UHFFFAOYSA-N 1 1 301.372 -1.053 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001100768118 782583320 /nfs/dbraw/zinc/58/33/20/782583320.db2.gz SPFXPYOLEKOPDQ-UEJVZZJDSA-N 1 1 323.357 -1.253 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001100768118 782583326 /nfs/dbraw/zinc/58/33/26/782583326.db2.gz SPFXPYOLEKOPDQ-UEJVZZJDSA-N 1 1 323.357 -1.253 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[nH]2)C1 ZINC001100850067 782584523 /nfs/dbraw/zinc/58/45/23/782584523.db2.gz NLEJOKYLJGUGFD-UHFFFAOYSA-N 1 1 309.330 -1.974 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH]nn2)C1 ZINC001100690408 782581146 /nfs/dbraw/zinc/58/11/46/782581146.db2.gz BJIUFNVGIFAUHC-UHFFFAOYSA-N 1 1 323.357 -1.583 20 0 DAADMO NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCc2cnn[nH]2)C1 ZINC001100690408 782581155 /nfs/dbraw/zinc/58/11/55/782581155.db2.gz BJIUFNVGIFAUHC-UHFFFAOYSA-N 1 1 323.357 -1.583 20 0 DAADMO C[C@@H]([NH2+]C1CC(CNC(=O)c2ncn[nH]2)C1)C(=O)NC(N)=O ZINC001100768173 782582779 /nfs/dbraw/zinc/58/27/79/782582779.db2.gz VMTIZQOFVXUKEE-JECWYVHBSA-N 1 1 309.330 -1.514 20 0 DAADMO C[C@@H]([NH2+]C1CC(CNC(=O)c2nc[nH]n2)C1)C(=O)NC(N)=O ZINC001100768173 782582783 /nfs/dbraw/zinc/58/27/83/782582783.db2.gz VMTIZQOFVXUKEE-JECWYVHBSA-N 1 1 309.330 -1.514 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)CCNC(N)=O)C1 ZINC001100958327 782588844 /nfs/dbraw/zinc/58/88/44/782588844.db2.gz LJPMOISDBPPEQG-UHFFFAOYSA-N 1 1 310.362 -1.747 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@]2(C)C1 ZINC001101111109 782590280 /nfs/dbraw/zinc/59/02/80/782590280.db2.gz WEBCXCGSHVEPPT-IPYPFGDCSA-N 1 1 313.398 -1.090 20 0 DAADMO CC(=O)NCC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C)C[C@@]2(C)C1 ZINC001101110798 782590960 /nfs/dbraw/zinc/59/09/60/782590960.db2.gz GKWSVUIYLLKAKW-DOMZBBRYSA-N 1 1 310.398 -1.009 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCNS(C)(=O)=O)C2 ZINC001101346094 782594541 /nfs/dbraw/zinc/59/45/41/782594541.db2.gz VJENSSGVXXIYMF-SKDRFNHKSA-N 1 1 318.399 -2.199 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001101327123 782595520 /nfs/dbraw/zinc/59/55/20/782595520.db2.gz QHUXOUFDPMJFHJ-GYSYKLTISA-N 1 1 324.385 -1.389 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@]2(C)C1 ZINC001101343574 782595745 /nfs/dbraw/zinc/59/57/45/782595745.db2.gz ATROETFFYYYIJR-HFAKWTLXSA-N 1 1 323.397 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@]2(C)C1 ZINC001101385882 782595917 /nfs/dbraw/zinc/59/59/17/782595917.db2.gz SPJYMCBYTUDRGM-ABAIWWIYSA-N 1 1 310.398 -1.009 20 0 DAADMO CNC(=O)NCCC(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101226705 782591467 /nfs/dbraw/zinc/59/14/67/782591467.db2.gz BCGNEBPSOWMOID-YGRLFVJLSA-N 1 1 311.386 -1.429 20 0 DAADMO C[C@]12CN(C(=O)Cn3cnnn3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101118586 782592031 /nfs/dbraw/zinc/59/20/31/782592031.db2.gz YEIUHBPTAHZXJW-OCCSQVGLSA-N 1 1 324.385 -1.538 20 0 DAADMO CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CNC(N)=O)C[C@]3(C)C2)C1=O ZINC001101124209 782592370 /nfs/dbraw/zinc/59/23/70/782592370.db2.gz QBKSBXYTAFDBFU-HFAKWTLXSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@@]2(C)C1 ZINC001101212186 782592675 /nfs/dbraw/zinc/59/26/75/782592675.db2.gz YWKYOUWCAHPQBT-JMSVASOKSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@]12CN(C(=O)CNC(N)=O)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001101122387 782592907 /nfs/dbraw/zinc/59/29/07/782592907.db2.gz FCMJVNUFHYCICY-ABAIWWIYSA-N 1 1 323.397 -1.333 20 0 DAADMO C[C@]12CN(C(=O)Cn3ncnn3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101240981 782593036 /nfs/dbraw/zinc/59/30/36/782593036.db2.gz KXOKPOMYFSTDDS-OCCSQVGLSA-N 1 1 324.385 -1.538 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CNC(N)=O)C[C@]2(C)C1 ZINC001101122362 782593158 /nfs/dbraw/zinc/59/31/58/782593158.db2.gz CTFISJFNOGROBC-YGRLFVJLSA-N 1 1 311.386 -1.429 20 0 DAADMO COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607862 782598396 /nfs/dbraw/zinc/59/83/96/782598396.db2.gz ZWVYEVRPQUKTJR-SNVBAGLBSA-N 1 1 322.369 -1.230 20 0 DAADMO CNC(=O)CC(=O)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101624129 782598463 /nfs/dbraw/zinc/59/84/63/782598463.db2.gz PQYWDSSLQICLHW-JTQLQIEISA-N 1 1 307.354 -1.417 20 0 DAADMO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001101641369 782599743 /nfs/dbraw/zinc/59/97/43/782599743.db2.gz OOQCRILUMJWCCE-NXEZZACHSA-N 1 1 323.353 -2.052 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101637284 782600324 /nfs/dbraw/zinc/60/03/24/782600324.db2.gz ITFDYYZVQOMVLV-GHMZBOCLSA-N 1 1 321.381 -1.041 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001101645921 782600381 /nfs/dbraw/zinc/60/03/81/782600381.db2.gz IKFZJUACMLPCJL-LLVKDONJSA-N 1 1 321.381 -1.074 20 0 DAADMO C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711110 782600425 /nfs/dbraw/zinc/60/04/25/782600425.db2.gz MPJVOAZBYCWOOM-NXEZZACHSA-N 1 1 320.415 -1.617 20 0 DAADMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711110 782600433 /nfs/dbraw/zinc/60/04/33/782600433.db2.gz MPJVOAZBYCWOOM-NXEZZACHSA-N 1 1 320.415 -1.617 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001101684387 782600517 /nfs/dbraw/zinc/60/05/17/782600517.db2.gz CVHMGMJSLKUESG-ZYHUDNBSSA-N 1 1 319.427 -1.149 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001101684387 782600522 /nfs/dbraw/zinc/60/05/22/782600522.db2.gz CVHMGMJSLKUESG-ZYHUDNBSSA-N 1 1 319.427 -1.149 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC3(C[NH+](CCO)C3)n3ccnc32)CC1 ZINC001101640789 782601043 /nfs/dbraw/zinc/60/10/43/782601043.db2.gz FERWDVYBHDGYPE-JTQLQIEISA-N 1 1 319.365 -1.287 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC2(C[NH+](CCOCCO)C2)n2ccnc21 ZINC001101641191 782601125 /nfs/dbraw/zinc/60/11/25/782601125.db2.gz KQYGJLLOSMEUSL-JTQLQIEISA-N 1 1 323.353 -2.051 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2CC3(C[NH+](CCO)C3)n3ccnc32)CC1 ZINC001101640792 782601279 /nfs/dbraw/zinc/60/12/79/782601279.db2.gz FERWDVYBHDGYPE-SNVBAGLBSA-N 1 1 319.365 -1.287 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnn(C)c1 ZINC001101706282 782601325 /nfs/dbraw/zinc/60/13/25/782601325.db2.gz TXIXUSZVNOZDIW-NXEZZACHSA-N 1 1 322.369 -1.087 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716491 782601782 /nfs/dbraw/zinc/60/17/82/782601782.db2.gz AUQAWHCCKCIPAT-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)Cn1cnnn1 ZINC001101716012 782602438 /nfs/dbraw/zinc/60/24/38/782602438.db2.gz MTBVWSYTVIVIJH-VXGBXAGGSA-N 1 1 319.373 -1.351 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101717261 782602690 /nfs/dbraw/zinc/60/26/90/782602690.db2.gz XKMFLIHJVODQDX-IJLUTSLNSA-N 1 1 312.374 -1.636 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101717262 782602710 /nfs/dbraw/zinc/60/27/10/782602710.db2.gz XKMFLIHJVODQDX-UTUOFQBUSA-N 1 1 312.374 -1.636 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711244 782602739 /nfs/dbraw/zinc/60/27/39/782602739.db2.gz SGCGOYNFIXMNEG-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711244 782602746 /nfs/dbraw/zinc/60/27/46/782602746.db2.gz SGCGOYNFIXMNEG-NXEZZACHSA-N 1 1 309.374 -1.333 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711332 782602846 /nfs/dbraw/zinc/60/28/46/782602846.db2.gz WZEWFTYVJWWATC-MXWKQRLJSA-N 1 1 311.386 -1.383 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979873 782607862 /nfs/dbraw/zinc/60/78/62/782607862.db2.gz GONOCUJTXHFLHO-IJLUTSLNSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101979874 782608158 /nfs/dbraw/zinc/60/81/58/782608158.db2.gz GONOCUJTXHFLHO-UTUOFQBUSA-N 1 1 321.385 -1.364 20 0 DAADMO CNS(=O)(=O)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001101966592 782608347 /nfs/dbraw/zinc/60/83/47/782608347.db2.gz RXAYALHWXXEAJS-IJLUTSLNSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001101933578 782608640 /nfs/dbraw/zinc/60/86/40/782608640.db2.gz QROAXKFCRDOLJZ-RKDXNWHRSA-N 1 1 323.357 -1.692 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1ccnn1C ZINC001101790371 782604654 /nfs/dbraw/zinc/60/46/54/782604654.db2.gz HUTXHKLKOHTZBC-NXEZZACHSA-N 1 1 322.369 -1.087 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784816 782604667 /nfs/dbraw/zinc/60/46/67/782604667.db2.gz OCIBZRLANBEBIT-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001101784816 782604670 /nfs/dbraw/zinc/60/46/70/782604670.db2.gz OCIBZRLANBEBIT-GMTAPVOTSA-N 1 1 319.427 -1.021 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101911641 782605995 /nfs/dbraw/zinc/60/59/95/782605995.db2.gz MDCBFBPJKDQYJX-KXNHARMFSA-N 1 1 316.402 -1.265 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101908299 782606217 /nfs/dbraw/zinc/60/62/17/782606217.db2.gz NJNCDTWGUJLIFY-MXWKQRLJSA-N 1 1 324.381 -1.388 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101911556 782606434 /nfs/dbraw/zinc/60/64/34/782606434.db2.gz IAVLLEBTEOIXCI-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN2CN=NC2=O)[C@H](C)C1 ZINC001101903767 782606580 /nfs/dbraw/zinc/60/65/80/782606580.db2.gz RJUAIYQHMYTKEN-OUAUKWLOSA-N 1 1 324.385 -1.198 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[C@H](C)C1 ZINC001101967458 782609292 /nfs/dbraw/zinc/60/92/92/782609292.db2.gz GNKWARKFFZYQOD-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2nccn2)[C@H](C)C1 ZINC001102007528 782610516 /nfs/dbraw/zinc/61/05/16/782610516.db2.gz ALAKDIABFRJXLL-UPJWGTAASA-N 1 1 311.386 -1.031 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001102017014 782610568 /nfs/dbraw/zinc/61/05/68/782610568.db2.gz ZYIGRSUDCFZRQQ-GRYCIOLGSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001101983379 782610834 /nfs/dbraw/zinc/61/08/34/782610834.db2.gz BFGCXOFHBFQBIT-GHMZBOCLSA-N 1 1 324.385 -1.557 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102019279 782611553 /nfs/dbraw/zinc/61/15/53/782611553.db2.gz APZCXBNVGPGSON-VXGBXAGGSA-N 1 1 301.387 -1.185 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001102056102 782612030 /nfs/dbraw/zinc/61/20/30/782612030.db2.gz NLNDOGSWMQJWBC-HLTSFMKQSA-N 1 1 311.342 -2.246 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102189987 782612125 /nfs/dbraw/zinc/61/21/25/782612125.db2.gz MDJLHELPNHIXFN-GHMZBOCLSA-N 1 1 322.431 -1.893 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CNC(=O)NC)[C@H](C)C1 ZINC001102024756 782612391 /nfs/dbraw/zinc/61/23/91/782612391.db2.gz MLTAVYAWKXEGQN-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC001102053085 782612480 /nfs/dbraw/zinc/61/24/80/782612480.db2.gz RULAVWFQPFJBGS-JHJVBQTASA-N 1 1 313.398 -1.090 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CNC(=O)NC)[C@H](C)C1 ZINC001102024757 782612564 /nfs/dbraw/zinc/61/25/64/782612564.db2.gz MLTAVYAWKXEGQN-MXWKQRLJSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)Cn1ncnn1 ZINC001101978751 782609055 /nfs/dbraw/zinc/60/90/55/782609055.db2.gz FRSNGZCUVFYGMX-VXGBXAGGSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001102519697 782617437 /nfs/dbraw/zinc/61/74/37/782617437.db2.gz GQAGWSZSEOTZGS-UPJWGTAASA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001102449345 782617709 /nfs/dbraw/zinc/61/77/09/782617709.db2.gz WYBFUCNRTCENIT-GHMZBOCLSA-N 1 1 321.443 -1.009 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cnon1 ZINC001102474260 782617886 /nfs/dbraw/zinc/61/78/86/782617886.db2.gz MQDZIMIJZFCZPE-HTQZYQBOSA-N 1 1 310.314 -1.438 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001102097739 782613770 /nfs/dbraw/zinc/61/37/70/782613770.db2.gz CMYVXJBXDONILZ-ZYHUDNBSSA-N 1 1 316.377 -1.108 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)C(N)=O ZINC001102300834 782615043 /nfs/dbraw/zinc/61/50/43/782615043.db2.gz DZCCVLUNDHVGSI-UTUOFQBUSA-N 1 1 309.370 -1.587 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001102241439 782615348 /nfs/dbraw/zinc/61/53/48/782615348.db2.gz URCCSRVAKDRRQH-HTQZYQBOSA-N 1 1 324.345 -2.297 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1cnn(C)n1 ZINC001102378517 782615502 /nfs/dbraw/zinc/61/55/02/782615502.db2.gz ZWNVMFGMGGSZMU-GHMZBOCLSA-N 1 1 308.386 -1.083 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306086 782615949 /nfs/dbraw/zinc/61/59/49/782615949.db2.gz FWAHNRTXOVPSSF-NXEZZACHSA-N 1 1 320.415 -1.905 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306541 782615991 /nfs/dbraw/zinc/61/59/91/782615991.db2.gz YZZSEAVHAYTJLH-IWSPIJDZSA-N 1 1 313.358 -2.000 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102562017 782621268 /nfs/dbraw/zinc/62/12/68/782621268.db2.gz VWKNPMNSAGMLMR-UTUOFQBUSA-N 1 1 316.402 -1.264 20 0 DAADMO C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802112 782621846 /nfs/dbraw/zinc/62/18/46/782621846.db2.gz STBROMNOPRGBMA-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102655232 782622054 /nfs/dbraw/zinc/62/20/54/782622054.db2.gz WWSGTCSIGKPSIM-GHMZBOCLSA-N 1 1 313.402 -1.183 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991216 782625332 /nfs/dbraw/zinc/62/53/32/782625332.db2.gz GUCJODMXKMBCMJ-VXGBXAGGSA-N 1 1 323.401 -1.117 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102657497 782622333 /nfs/dbraw/zinc/62/23/33/782622333.db2.gz UDVQQKWFBMCFBA-GRYCIOLGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656672 782622350 /nfs/dbraw/zinc/62/23/50/782622350.db2.gz KCWRNGQPNFZBAX-VXGBXAGGSA-N 1 1 323.401 -1.165 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102801868 782622503 /nfs/dbraw/zinc/62/25/03/782622503.db2.gz JAADLONCTKHYJG-UTUOFQBUSA-N 1 1 301.387 -1.057 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732465 782622871 /nfs/dbraw/zinc/62/28/71/782622871.db2.gz RDRHAQOLAKIAIB-OUAUKWLOSA-N 1 1 319.427 -1.021 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732465 782622877 /nfs/dbraw/zinc/62/28/77/782622877.db2.gz RDRHAQOLAKIAIB-OUAUKWLOSA-N 1 1 319.427 -1.021 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732607 782623220 /nfs/dbraw/zinc/62/32/20/782623220.db2.gz XEEPJQLAXGJADA-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CS(C)(=O)=O)C1 ZINC001102732607 782623226 /nfs/dbraw/zinc/62/32/26/782623226.db2.gz XEEPJQLAXGJADA-GHMZBOCLSA-N 1 1 319.427 -1.149 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001102657498 782623407 /nfs/dbraw/zinc/62/34/07/782623407.db2.gz UDVQQKWFBMCFBA-IJLUTSLNSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802156 782623647 /nfs/dbraw/zinc/62/36/47/782623647.db2.gz VXEXZTDPKILLJL-VXGBXAGGSA-N 1 1 301.387 -1.055 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001102991245 782625078 /nfs/dbraw/zinc/62/50/78/782625078.db2.gz HJUJAQMCOSMXES-GHMZBOCLSA-N 1 1 309.374 -1.507 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001102582248 782619217 /nfs/dbraw/zinc/61/92/17/782619217.db2.gz CWIGNXZSTGVKPM-KXUCPTDWSA-N 1 1 320.415 -1.907 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102562171 782619713 /nfs/dbraw/zinc/61/97/13/782619713.db2.gz YXLVFIHXBUDPNJ-GHMZBOCLSA-N 1 1 313.402 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102563248 782619853 /nfs/dbraw/zinc/61/98/53/782619853.db2.gz PPIVXXHYAFTFEP-GMTAPVOTSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001102536939 782619896 /nfs/dbraw/zinc/61/98/96/782619896.db2.gz ZWVWRBSYZHDXBC-NXEZZACHSA-N 1 1 320.415 -1.953 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cn1ncn(C)c1=O ZINC001103165342 782625214 /nfs/dbraw/zinc/62/52/14/782625214.db2.gz YZPCFGXOYOEHLN-VXGBXAGGSA-N 1 1 311.386 -1.352 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001102564364 782620038 /nfs/dbraw/zinc/62/00/38/782620038.db2.gz MYKDYFKPFVFALA-NXEZZACHSA-N 1 1 310.354 -1.695 20 0 DAADMO Cc1nn(CC(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)c(=O)n1C ZINC001102539365 782620321 /nfs/dbraw/zinc/62/03/21/782620321.db2.gz ARSNHJZJTDSHTK-ZYHUDNBSSA-N 1 1 311.386 -1.433 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102583702 782620521 /nfs/dbraw/zinc/62/05/21/782620521.db2.gz WGCIZNSPXWYZOC-GHMZBOCLSA-N 1 1 307.416 -1.398 20 0 DAADMO CNS(=O)(=O)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001102583400 782620581 /nfs/dbraw/zinc/62/05/81/782620581.db2.gz IYAWVUCLNLXCJL-GMTAPVOTSA-N 1 1 307.416 -1.400 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102563249 782620595 /nfs/dbraw/zinc/62/05/95/782620595.db2.gz PPIVXXHYAFTFEP-OUAUKWLOSA-N 1 1 313.402 -1.137 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001103754802 782628874 /nfs/dbraw/zinc/62/88/74/782628874.db2.gz YNJLORRRUBYQJT-GHMZBOCLSA-N 1 1 324.385 -1.557 20 0 DAADMO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103389100 782625992 /nfs/dbraw/zinc/62/59/92/782625992.db2.gz DYBSKBNTKNISBL-KXUCPTDWSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103389100 782625997 /nfs/dbraw/zinc/62/59/97/782625997.db2.gz DYBSKBNTKNISBL-KXUCPTDWSA-N 1 1 309.374 -1.169 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391527 782626156 /nfs/dbraw/zinc/62/61/56/782626156.db2.gz KBEXZQYLEQJTIA-JHJVBQTASA-N 1 1 323.397 -1.197 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001103476939 782626269 /nfs/dbraw/zinc/62/62/69/782626269.db2.gz DLYXKWSOUVUHCB-MXWKQRLJSA-N 1 1 312.370 -1.349 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1C(=O)CCC1=O ZINC001103706983 782626587 /nfs/dbraw/zinc/62/65/87/782626587.db2.gz WJYPEYVYULTJHJ-GHMZBOCLSA-N 1 1 324.381 -1.305 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103332081 782627077 /nfs/dbraw/zinc/62/70/77/782627077.db2.gz FPYIPHWEKUCAEK-GHMZBOCLSA-N 1 1 323.401 -1.014 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103390245 782627184 /nfs/dbraw/zinc/62/71/84/782627184.db2.gz LLYMGCJQJRDXPG-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 ZINC001111680168 782631316 /nfs/dbraw/zinc/63/13/16/782631316.db2.gz IMZOQGNNPORRNL-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(N)=O)C1 ZINC001111680168 782631321 /nfs/dbraw/zinc/63/13/21/782631321.db2.gz IMZOQGNNPORRNL-GWCFXTLKSA-N 1 1 317.411 -1.123 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111586028 782631414 /nfs/dbraw/zinc/63/14/14/782631414.db2.gz BTDGDXNLWRDBNR-BHDSKKPTSA-N 1 1 309.370 -1.486 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111586029 782631424 /nfs/dbraw/zinc/63/14/24/782631424.db2.gz BTDGDXNLWRDBNR-RBZYPMLTSA-N 1 1 309.370 -1.486 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586523 782631495 /nfs/dbraw/zinc/63/14/95/782631495.db2.gz ZRQKYQAXKOJOAK-RBZYPMLTSA-N 1 1 311.386 -1.111 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111586323 782631677 /nfs/dbraw/zinc/63/16/77/782631677.db2.gz RCRZNDZCJBCSCD-HZMBPMFUSA-N 1 1 311.386 -1.239 20 0 DAADMO NC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111586292 782631908 /nfs/dbraw/zinc/63/19/08/782631908.db2.gz POMRBRVJUWLNMW-FZMZJTMJSA-N 1 1 321.385 -1.083 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001111720355 782632881 /nfs/dbraw/zinc/63/28/81/782632881.db2.gz SEYRNNZZFADVLT-BHDSKKPTSA-N 1 1 311.386 -1.240 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001111720355 782632892 /nfs/dbraw/zinc/63/28/92/782632892.db2.gz SEYRNNZZFADVLT-BHDSKKPTSA-N 1 1 311.386 -1.240 20 0 DAADMO Cn1cnn(CCC(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)c1=O ZINC001111817777 782633741 /nfs/dbraw/zinc/63/37/41/782633741.db2.gz BQRFLTFYRSETDU-WFASDCNBSA-N 1 1 323.397 -1.065 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114980415 782637367 /nfs/dbraw/zinc/63/73/67/782637367.db2.gz QVFUYWSJTWGDHI-CXTNEJHOSA-N 1 1 324.425 -1.110 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112144851 782634569 /nfs/dbraw/zinc/63/45/69/782634569.db2.gz HJFXBLYUWAAOTF-XLPZGREQSA-N 1 1 324.303 -1.038 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001112156004 782634607 /nfs/dbraw/zinc/63/46/07/782634607.db2.gz URTPLLYKLNVHFB-RNFRBKRXSA-N 1 1 310.276 -1.461 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O ZINC001114980525 782637401 /nfs/dbraw/zinc/63/74/01/782637401.db2.gz SLCSPDBEEJICCK-PUHVVEEASA-N 1 1 324.381 -1.254 20 0 DAADMO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073694 782634832 /nfs/dbraw/zinc/63/48/32/782634832.db2.gz ZMYRWRJHZZBOPQ-XLPZGREQSA-N 1 1 324.303 -1.025 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112088484 782634871 /nfs/dbraw/zinc/63/48/71/782634871.db2.gz IWDLVWYLJKENGN-HTQZYQBOSA-N 1 1 324.303 -1.023 20 0 DAADMO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073267 782635277 /nfs/dbraw/zinc/63/52/77/782635277.db2.gz IXFSOQPEHVSJLL-HTQZYQBOSA-N 1 1 324.303 -1.071 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111859913 782635304 /nfs/dbraw/zinc/63/53/04/782635304.db2.gz HHBHJZXWHLYNBV-NHYWBVRUSA-N 1 1 308.382 -1.031 20 0 DAADMO NC(=O)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111859913 782635309 /nfs/dbraw/zinc/63/53/09/782635309.db2.gz HHBHJZXWHLYNBV-NHYWBVRUSA-N 1 1 308.382 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O ZINC001114982598 782637424 /nfs/dbraw/zinc/63/74/24/782637424.db2.gz RKDQBGLTBPQGEC-NDBYEHHHSA-N 1 1 313.398 -1.045 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114974730 782637466 /nfs/dbraw/zinc/63/74/66/782637466.db2.gz HVMQOANCWDAFQO-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 ZINC001114974730 782637470 /nfs/dbraw/zinc/63/74/70/782637470.db2.gz HVMQOANCWDAFQO-JYAVWHMHSA-N 1 1 310.398 -1.499 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001114970984 782636008 /nfs/dbraw/zinc/63/60/08/782636008.db2.gz RQPYWCALPKBFDL-GDNZZTSVSA-N 1 1 311.382 -1.432 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115038473 782640003 /nfs/dbraw/zinc/64/00/03/782640003.db2.gz MHQNDFMHPWFGMG-KXNHARMFSA-N 1 1 308.382 -1.177 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC(F)(F)F ZINC001115050358 782640162 /nfs/dbraw/zinc/64/01/62/782640162.db2.gz UDGBXUCGTKFCCU-IIDWOEFGSA-N 1 1 322.287 -1.413 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)NCC(F)(F)F ZINC001115050358 782640169 /nfs/dbraw/zinc/64/01/69/782640169.db2.gz UDGBXUCGTKFCCU-IIDWOEFGSA-N 1 1 322.287 -1.413 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115041136 782640591 /nfs/dbraw/zinc/64/05/91/782640591.db2.gz CRVMYTHYOLONJO-QMSLJYSESA-N 1 1 322.287 -1.543 20 0 DAADMO CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC(F)(F)F ZINC001115041136 782640596 /nfs/dbraw/zinc/64/05/96/782640596.db2.gz CRVMYTHYOLONJO-QMSLJYSESA-N 1 1 322.287 -1.543 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115099079 782641186 /nfs/dbraw/zinc/64/11/86/782641186.db2.gz UAZBDTPXTURXIN-LITAXDCLSA-N 1 1 321.341 -2.023 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115099079 782641188 /nfs/dbraw/zinc/64/11/88/782641188.db2.gz UAZBDTPXTURXIN-LITAXDCLSA-N 1 1 321.341 -2.023 20 0 DAADMO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001115093166 782641392 /nfs/dbraw/zinc/64/13/92/782641392.db2.gz BAEGFPPUBGYBGC-MEWQQHAOSA-N 1 1 321.385 -1.366 20 0 DAADMO O=C(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)NCC1CC1 ZINC001115094316 782641467 /nfs/dbraw/zinc/64/14/67/782641467.db2.gz RXGAWTJOZCMEBZ-ZAZJYDDPSA-N 1 1 320.393 -1.162 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098283 782641615 /nfs/dbraw/zinc/64/16/15/782641615.db2.gz DVNMJZUQBVWFGW-JDICNCQASA-N 1 1 321.341 -2.151 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115098283 782641621 /nfs/dbraw/zinc/64/16/21/782641621.db2.gz DVNMJZUQBVWFGW-JDICNCQASA-N 1 1 321.341 -2.151 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115099078 782641928 /nfs/dbraw/zinc/64/19/28/782641928.db2.gz UAZBDTPXTURXIN-LEQIOUOKSA-N 1 1 321.341 -2.023 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]n1 ZINC001115099078 782641930 /nfs/dbraw/zinc/64/19/30/782641930.db2.gz UAZBDTPXTURXIN-LEQIOUOKSA-N 1 1 321.341 -2.023 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115118398 782642379 /nfs/dbraw/zinc/64/23/79/782642379.db2.gz FBWIPKBWYFMGNG-KZWBYHQPSA-N 1 1 323.397 -1.431 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114993942 782638095 /nfs/dbraw/zinc/63/80/95/782638095.db2.gz DAVBKTSGAAAOCV-PJXYFTJBSA-N 1 1 323.353 -1.118 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013860 782638297 /nfs/dbraw/zinc/63/82/97/782638297.db2.gz UXJDEBPFZCOLCI-JDICNCQASA-N 1 1 306.326 -1.807 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ncc[nH]1 ZINC001115013860 782638307 /nfs/dbraw/zinc/63/83/07/782638307.db2.gz UXJDEBPFZCOLCI-JDICNCQASA-N 1 1 306.326 -1.807 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2cnnn2)C1=O ZINC001115017840 782638436 /nfs/dbraw/zinc/63/84/36/782638436.db2.gz GZFKHCLASQGCEE-SRRSOLGSSA-N 1 1 319.369 -1.660 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114993872 782638682 /nfs/dbraw/zinc/63/86/82/782638682.db2.gz BZWIYHIJJKFMIX-VROVMSAKSA-N 1 1 322.325 -1.425 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114993872 782638683 /nfs/dbraw/zinc/63/86/83/782638683.db2.gz BZWIYHIJJKFMIX-VROVMSAKSA-N 1 1 322.325 -1.425 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017883 782638752 /nfs/dbraw/zinc/63/87/52/782638752.db2.gz HTAOYXZGBOTQFJ-MEWQQHAOSA-N 1 1 321.385 -1.414 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115116309 782642909 /nfs/dbraw/zinc/64/29/09/782642909.db2.gz LGLWJMCEUHKVOT-KIGUWFBYSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)N1CCCC1=O ZINC001115116309 782642914 /nfs/dbraw/zinc/64/29/14/782642914.db2.gz LGLWJMCEUHKVOT-KIGUWFBYSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203272 782644690 /nfs/dbraw/zinc/64/46/90/782644690.db2.gz MZECGBHYNHUEJM-QISWUMQESA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001115203272 782644693 /nfs/dbraw/zinc/64/46/93/782644693.db2.gz MZECGBHYNHUEJM-QISWUMQESA-N 1 1 320.349 -1.070 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N(C)C ZINC001115188585 782644943 /nfs/dbraw/zinc/64/49/43/782644943.db2.gz MSOIGJHLZQVOJX-MEWQQHAOSA-N 1 1 319.427 -1.041 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115216969 782645722 /nfs/dbraw/zinc/64/57/22/782645722.db2.gz LWGHKAXRRFSXCW-KLBPJQLPSA-N 1 1 310.354 -1.597 20 0 DAADMO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O ZINC001115210752 782645747 /nfs/dbraw/zinc/64/57/47/782645747.db2.gz NOIXMKJNBULSJA-YABSGUDNSA-N 1 1 324.381 -1.037 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001115214120 782645761 /nfs/dbraw/zinc/64/57/61/782645761.db2.gz CEEDULLLYXKRAZ-YABSGUDNSA-N 1 1 323.397 -1.286 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115210975 782645843 /nfs/dbraw/zinc/64/58/43/782645843.db2.gz ORYBPEXSXJNALG-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O ZINC001115210975 782645847 /nfs/dbraw/zinc/64/58/47/782645847.db2.gz ORYBPEXSXJNALG-WOFXILAISA-N 1 1 323.353 -2.279 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115215174 782645881 /nfs/dbraw/zinc/64/58/81/782645881.db2.gz YAYFNEWKYKKPOC-JYAVWHMHSA-N 1 1 318.381 -1.149 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001115215174 782645883 /nfs/dbraw/zinc/64/58/83/782645883.db2.gz YAYFNEWKYKKPOC-JYAVWHMHSA-N 1 1 318.381 -1.149 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCOCC1 ZINC001115209078 782645947 /nfs/dbraw/zinc/64/59/47/782645947.db2.gz PQVLUSQAHSTKET-HBYGRHMLSA-N 1 1 324.381 -1.843 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCOCC1 ZINC001115209078 782645948 /nfs/dbraw/zinc/64/59/48/782645948.db2.gz PQVLUSQAHSTKET-HBYGRHMLSA-N 1 1 324.381 -1.843 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(N)=O ZINC001115218858 782646562 /nfs/dbraw/zinc/64/65/62/782646562.db2.gz LXBIUYPDDSCUJV-UXCLJVHYSA-N 1 1 300.359 -1.902 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001115241257 782647488 /nfs/dbraw/zinc/64/74/88/782647488.db2.gz FEZOCEBSSVSMOJ-UXCLJVHYSA-N 1 1 309.370 -1.821 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115220874 782647722 /nfs/dbraw/zinc/64/77/22/782647722.db2.gz QNISNEZHMFMWBN-IAZYJMLFSA-N 1 1 307.358 -1.617 20 0 DAADMO CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242335 782647775 /nfs/dbraw/zinc/64/77/75/782647775.db2.gz ZVUOGOOIRNSXMP-MEWQQHAOSA-N 1 1 323.397 -1.560 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115221712 782647800 /nfs/dbraw/zinc/64/78/00/782647800.db2.gz XRXKNTVJJYDEQF-SREGZZRCSA-N 1 1 323.353 -2.104 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CCC1 ZINC001115156592 782643566 /nfs/dbraw/zinc/64/35/66/782643566.db2.gz QOFJMMHZBYDUTQ-UKKRHICBSA-N 1 1 308.382 -1.177 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CCC1 ZINC001115156592 782643571 /nfs/dbraw/zinc/64/35/71/782643571.db2.gz QOFJMMHZBYDUTQ-UKKRHICBSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126185 782644040 /nfs/dbraw/zinc/64/40/40/782644040.db2.gz JPIUDYZREQONSY-CZXHOFHRSA-N 1 1 312.414 -1.125 20 0 DAADMO O=C(CNC(=O)Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001115291224 782649945 /nfs/dbraw/zinc/64/99/45/782649945.db2.gz APOCADBFFRFHQJ-YABSGUDNSA-N 1 1 324.360 -1.200 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115267682 782649959 /nfs/dbraw/zinc/64/99/59/782649959.db2.gz IWTYTEJKZINFRQ-QISWUMQESA-N 1 1 320.349 -1.070 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115267682 782649962 /nfs/dbraw/zinc/64/99/62/782649962.db2.gz IWTYTEJKZINFRQ-QISWUMQESA-N 1 1 320.349 -1.070 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115263562 782649974 /nfs/dbraw/zinc/64/99/74/782649974.db2.gz NKYFDAKRKZYOTJ-UXCLJVHYSA-N 1 1 312.370 -1.100 20 0 DAADMO COCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115263562 782649978 /nfs/dbraw/zinc/64/99/78/782649978.db2.gz NKYFDAKRKZYOTJ-UXCLJVHYSA-N 1 1 312.370 -1.100 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001115300354 782651144 /nfs/dbraw/zinc/65/11/44/782651144.db2.gz QBHBWSUCPJFGIY-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001115300354 782651146 /nfs/dbraw/zinc/65/11/46/782651146.db2.gz QBHBWSUCPJFGIY-MEWQQHAOSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC001115306336 782651173 /nfs/dbraw/zinc/65/11/73/782651173.db2.gz MSPWMBPDZSATOR-MEWQQHAOSA-N 1 1 324.381 -1.609 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001115304550 782651249 /nfs/dbraw/zinc/65/12/49/782651249.db2.gz TVFDVPCEFVJRFI-IWIIMEHWSA-N 1 1 311.386 -1.432 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115347700 782651883 /nfs/dbraw/zinc/65/18/83/782651883.db2.gz DQKIMEOEGSIZKJ-YABSGUDNSA-N 1 1 323.397 -1.286 20 0 DAADMO O=C(CCNC(=O)[C@H]1CCCO1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115350239 782652366 /nfs/dbraw/zinc/65/23/66/782652366.db2.gz PMXHUYXWZWNSBE-CZXHOFHRSA-N 1 1 311.382 -1.290 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115348826 782652376 /nfs/dbraw/zinc/65/23/76/782652376.db2.gz YULSBHTZGNXEPG-PUXPGTEJSA-N 1 1 322.365 -1.506 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn(C)nn1 ZINC001115358920 782652760 /nfs/dbraw/zinc/65/27/60/782652760.db2.gz ODLXXDOHGCTAFH-WUWHUORYSA-N 1 1 320.397 -1.071 20 0 DAADMO Cn1cc(CCC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)nn1 ZINC001115358093 782653382 /nfs/dbraw/zinc/65/33/82/782653382.db2.gz HMWZBUHMYJYJLE-NHAGDIPZSA-N 1 1 323.397 -1.197 20 0 DAADMO CC(C)(C)NS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115255166 782648762 /nfs/dbraw/zinc/64/87/62/782648762.db2.gz XYDHXTJLBVJOFL-IAZYJMLFSA-N 1 1 319.427 -1.257 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115249776 782648888 /nfs/dbraw/zinc/64/88/88/782648888.db2.gz MJKBKPZKHVYRFC-ODXREFDESA-N 1 1 304.372 -2.544 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001115249776 782648893 /nfs/dbraw/zinc/64/88/93/782648893.db2.gz MJKBKPZKHVYRFC-ODXREFDESA-N 1 1 304.372 -2.544 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001115250239 782648932 /nfs/dbraw/zinc/64/89/32/782648932.db2.gz SOCJCUDAMJCHGJ-SVDPJWKOSA-N 1 1 321.399 -2.411 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001115268605 782649657 /nfs/dbraw/zinc/64/96/57/782649657.db2.gz YXJCJJNCCBRRQQ-IWIIMEHWSA-N 1 1 305.338 -1.202 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC001115268605 782649665 /nfs/dbraw/zinc/64/96/65/782649665.db2.gz YXJCJJNCCBRRQQ-IWIIMEHWSA-N 1 1 305.338 -1.202 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115282564 782649787 /nfs/dbraw/zinc/64/97/87/782649787.db2.gz RDZNXDUMJZZYPO-IAZYJMLFSA-N 1 1 305.400 -1.693 20 0 DAADMO CS(=O)(=O)CCOCCNC(=O)CC[NH+]1CCOCC1 ZINC001116121014 782657049 /nfs/dbraw/zinc/65/70/49/782657049.db2.gz ITURHFSAWNDSQV-UHFFFAOYSA-N 1 1 308.400 -1.114 20 0 DAADMO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115357113 782653598 /nfs/dbraw/zinc/65/35/98/782653598.db2.gz WRCBCBBGVPMGIF-GOONRYMUSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115357113 782653601 /nfs/dbraw/zinc/65/36/01/782653601.db2.gz WRCBCBBGVPMGIF-GOONRYMUSA-N 1 1 308.382 -1.177 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001115365517 782653609 /nfs/dbraw/zinc/65/36/09/782653609.db2.gz YOMLKZOKKBTCMQ-LFNDISMMSA-N 1 1 322.365 -1.778 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001115365517 782653612 /nfs/dbraw/zinc/65/36/12/782653612.db2.gz YOMLKZOKKBTCMQ-LFNDISMMSA-N 1 1 322.365 -1.778 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001116651015 782664542 /nfs/dbraw/zinc/66/45/42/782664542.db2.gz AHNXIDZJXYGHQZ-KBPBESRZSA-N 1 1 324.425 -1.013 20 0 DAADMO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001116651019 782664647 /nfs/dbraw/zinc/66/46/47/782664647.db2.gz AHNXIDZJXYGHQZ-UONOGXRCSA-N 1 1 324.425 -1.013 20 0 DAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCCO2)CC1 ZINC001117037254 782672152 /nfs/dbraw/zinc/67/21/52/782672152.db2.gz ZIUXKBKNILBOFW-UHFFFAOYSA-N 1 1 312.370 -1.179 20 0 DAADMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCC(=O)NC(N)=O)C1 ZINC001116822360 782668273 /nfs/dbraw/zinc/66/82/73/782668273.db2.gz VMYUHUSNUPLZMI-MNOVXSKESA-N 1 1 303.359 -1.083 20 0 DAADMO CN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC001117046484 782672391 /nfs/dbraw/zinc/67/23/91/782672391.db2.gz VQCQYCJVLHHLFZ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H](O)CN(C)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC001117008737 782672700 /nfs/dbraw/zinc/67/27/00/782672700.db2.gz MEVQTFAGPXYOMC-GFCCVEGCSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001117090807 782674296 /nfs/dbraw/zinc/67/42/96/782674296.db2.gz RZYKTDMGIZRBTP-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001117090807 782674302 /nfs/dbraw/zinc/67/43/02/782674302.db2.gz RZYKTDMGIZRBTP-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001117095616 782674772 /nfs/dbraw/zinc/67/47/72/782674772.db2.gz AUYDMMKUBPYQNK-MNOVXSKESA-N 1 1 312.370 -1.654 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC001117095615 782674882 /nfs/dbraw/zinc/67/48/82/782674882.db2.gz AUYDMMKUBPYQNK-GHMZBOCLSA-N 1 1 312.370 -1.654 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCn1cccn1 ZINC001117109024 782675862 /nfs/dbraw/zinc/67/58/62/782675862.db2.gz SCGSMRDVVMBJMZ-GFCCVEGCSA-N 1 1 308.386 -1.639 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001117129285 782675902 /nfs/dbraw/zinc/67/59/02/782675902.db2.gz QNVAMJQVGTYJNI-NSHDSACASA-N 1 1 309.388 -2.136 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC001117129285 782675910 /nfs/dbraw/zinc/67/59/10/782675910.db2.gz QNVAMJQVGTYJNI-NSHDSACASA-N 1 1 309.388 -2.136 20 0 DAADMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC001117129284 782676336 /nfs/dbraw/zinc/67/63/36/782676336.db2.gz QNVAMJQVGTYJNI-LLVKDONJSA-N 1 1 309.388 -2.136 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC001117129284 782676339 /nfs/dbraw/zinc/67/63/39/782676339.db2.gz QNVAMJQVGTYJNI-LLVKDONJSA-N 1 1 309.388 -2.136 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)NCc1nnnn1CC1CC1)C1CC1 ZINC001117126290 782676440 /nfs/dbraw/zinc/67/64/40/782676440.db2.gz PBYWLBWIXPDBNN-UHFFFAOYSA-N 1 1 321.385 -1.090 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC001117179989 782678958 /nfs/dbraw/zinc/67/89/58/782678958.db2.gz FFCPPBDUDVTRFW-SNVBAGLBSA-N 1 1 315.374 -2.050 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC001117177080 782678973 /nfs/dbraw/zinc/67/89/73/782678973.db2.gz AMCOPXCBQKJHEB-JXFSHQFZSA-N 1 1 323.393 -1.193 20 0 DAADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001117291089 782681290 /nfs/dbraw/zinc/68/12/90/782681290.db2.gz VMIATTJZACAEIM-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nccn2C)C1 ZINC001117314284 782682489 /nfs/dbraw/zinc/68/24/89/782682489.db2.gz FZJJDFHHHHIIEG-LLVKDONJSA-N 1 1 309.370 -1.127 20 0 DAADMO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[S@](C)=O)C1 ZINC001117316231 782683717 /nfs/dbraw/zinc/68/37/17/782683717.db2.gz JLTYGUCLDDUYNF-SBKAZYGRSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[S@](C)=O)C1 ZINC001117316231 782683726 /nfs/dbraw/zinc/68/37/26/782683726.db2.gz JLTYGUCLDDUYNF-SBKAZYGRSA-N 1 1 305.400 -1.682 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001117317372 782683968 /nfs/dbraw/zinc/68/39/68/782683968.db2.gz UWLULTUMTQSKJN-SECBINFHSA-N 1 1 311.346 -2.337 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC001117345358 782686621 /nfs/dbraw/zinc/68/66/21/782686621.db2.gz KIIBFLRFHBHGMP-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117345358 782686625 /nfs/dbraw/zinc/68/66/25/782686625.db2.gz KIIBFLRFHBHGMP-PWSUYJOCSA-N 1 1 309.370 -1.128 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCOC1 ZINC001117408552 782689224 /nfs/dbraw/zinc/68/92/24/782689224.db2.gz HMQLKNUEYSMXPF-OLZOCXBDSA-N 1 1 312.414 -1.109 20 0 DAADMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2nnn(C)n2)C[N@H+]1C1CC1 ZINC001117429527 782690051 /nfs/dbraw/zinc/69/00/51/782690051.db2.gz DVZIUURAFKNSMH-IUCAKERBSA-N 1 1 307.358 -1.432 20 0 DAADMO COC(C)(C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001117418732 782690081 /nfs/dbraw/zinc/69/00/81/782690081.db2.gz GEMIMRNGHNWMFW-NSHDSACASA-N 1 1 300.403 -1.110 20 0 DAADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001117549163 782694236 /nfs/dbraw/zinc/69/42/36/782694236.db2.gz CLJAVHXIQYUGCB-JQWIXIFHSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC001117549164 782693954 /nfs/dbraw/zinc/69/39/54/782693954.db2.gz CLJAVHXIQYUGCB-PWSUYJOCSA-N 1 1 308.382 -1.066 20 0 DAADMO CN1CC(=O)N(CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1=O ZINC001117737619 782700602 /nfs/dbraw/zinc/70/06/02/782700602.db2.gz PVPJWRFCKUNLQM-UHFFFAOYSA-N 1 1 310.354 -1.329 20 0 DAADMO CN(C(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[C@H]1CCNC1=O ZINC001117912091 782702020 /nfs/dbraw/zinc/70/20/20/782702020.db2.gz LHQAZSMEYYTXMI-LBPRGKRZSA-N 1 1 308.382 -1.113 20 0 DAADMO CN(C(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[C@@H]1CCNC1=O ZINC001117912090 782702072 /nfs/dbraw/zinc/70/20/72/782702072.db2.gz LHQAZSMEYYTXMI-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001118089332 782703006 /nfs/dbraw/zinc/70/30/06/782703006.db2.gz UWZQJCJHUKUXEQ-LBPRGKRZSA-N 1 1 308.448 -1.876 20 0 DAADMO COC(=O)N1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC001118049238 782703583 /nfs/dbraw/zinc/70/35/83/782703583.db2.gz VDHSDUQUYCPUMT-UHFFFAOYSA-N 1 1 322.312 -1.003 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001118181346 782705872 /nfs/dbraw/zinc/70/58/72/782705872.db2.gz XNPCJOYVCVSLQE-NXEZZACHSA-N 1 1 310.354 -1.540 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001118241516 782709820 /nfs/dbraw/zinc/70/98/20/782709820.db2.gz YHNLVABBTCPMBD-UHFFFAOYSA-N 1 1 323.401 -1.479 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001118241516 782709826 /nfs/dbraw/zinc/70/98/26/782709826.db2.gz YHNLVABBTCPMBD-UHFFFAOYSA-N 1 1 323.401 -1.479 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001118241516 782709829 /nfs/dbraw/zinc/70/98/29/782709829.db2.gz YHNLVABBTCPMBD-UHFFFAOYSA-N 1 1 323.401 -1.479 20 0 DAADMO C[NH2+][C@H](C(=O)NCCCNS(C)(=O)=O)c1cnn(C)c1 ZINC001118256370 782710147 /nfs/dbraw/zinc/71/01/47/782710147.db2.gz QXXPETWUTGROLU-JTQLQIEISA-N 1 1 303.388 -1.264 20 0 DAADMO Cn1cc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)nn1 ZINC001118276376 782711901 /nfs/dbraw/zinc/71/19/01/782711901.db2.gz GMLUCPOODCNSIZ-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO Cn1cnnc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001118307223 782713772 /nfs/dbraw/zinc/71/37/72/782713772.db2.gz YYVYRTMTXIQFGD-UHFFFAOYSA-N 1 1 307.358 -1.121 20 0 DAADMO CN(CCCCCO)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118329447 782715232 /nfs/dbraw/zinc/71/52/32/782715232.db2.gz YZBAWAWAXOJUOA-QWHCGFSZSA-N 1 1 313.398 -1.115 20 0 DAADMO C[NH+]1CCC(NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001118336166 782715340 /nfs/dbraw/zinc/71/53/40/782715340.db2.gz FJRXVIHJADNMES-QWHCGFSZSA-N 1 1 310.398 -1.526 20 0 DAADMO O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC([C@H]2CCOC2)C1 ZINC001118391800 782717489 /nfs/dbraw/zinc/71/74/89/782717489.db2.gz CFPDKHWYUCBEOS-FPMFFAJLSA-N 1 1 323.393 -1.241 20 0 DAADMO CC[N@@H+](C)C[C@@H](O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O ZINC001118393512 782717697 /nfs/dbraw/zinc/71/76/97/782717697.db2.gz FELGYBYDMFFIDU-NXEZZACHSA-N 1 1 313.358 -1.674 20 0 DAADMO CC[N@@H+](C)C[C@H](O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O ZINC001118393516 782717870 /nfs/dbraw/zinc/71/78/70/782717870.db2.gz FELGYBYDMFFIDU-UWVGGRQHSA-N 1 1 313.358 -1.674 20 0 DAADMO Cn1cc(CCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC001118400869 782719037 /nfs/dbraw/zinc/71/90/37/782719037.db2.gz OONTZZRLCHEQGN-QWHCGFSZSA-N 1 1 321.381 -1.644 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC001118616005 782728126 /nfs/dbraw/zinc/72/81/26/782728126.db2.gz FWBJDICLEILWRB-XJKCOSOUSA-N 1 1 324.425 -1.157 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2C(=O)CCC2=O)C1 ZINC001118682516 782730969 /nfs/dbraw/zinc/73/09/69/782730969.db2.gz PDZXFSGUGYINRQ-LLVKDONJSA-N 1 1 324.381 -1.148 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149081785 782729281 /nfs/dbraw/zinc/72/92/81/782729281.db2.gz FJUWFYLZXLLSFX-QWHCGFSZSA-N 1 1 317.386 -1.663 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@H+](CC(=O)N(C)C)CCCO1 ZINC001149082897 782736441 /nfs/dbraw/zinc/73/64/41/782736441.db2.gz QKZXPILDHQFIFR-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](CC(=O)N(C)C)CCCO1 ZINC001149082897 782736447 /nfs/dbraw/zinc/73/64/47/782736447.db2.gz QKZXPILDHQFIFR-LBPRGKRZSA-N 1 1 314.386 -1.582 20 0 DAADMO COc1cncc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC001118878377 782738730 /nfs/dbraw/zinc/73/87/30/782738730.db2.gz BIMMZXCKIHAXNB-SECBINFHSA-N 1 1 309.326 -1.394 20 0 DAADMO CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118924845 782740792 /nfs/dbraw/zinc/74/07/92/782740792.db2.gz MCDDUMYLLUVMLT-SECBINFHSA-N 1 1 307.372 -2.358 20 0 DAADMO CN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C[C@H]2C1=O ZINC001118971101 782743778 /nfs/dbraw/zinc/74/37/78/782743778.db2.gz TXQKSMBRXYFEJR-UTUOFQBUSA-N 1 1 323.397 -1.512 20 0 DAADMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)CC[C@H]21 ZINC001119028240 782744445 /nfs/dbraw/zinc/74/44/45/782744445.db2.gz LMNQNEGYFHORJK-NWDGAFQWSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)CCCO1 ZINC001149084140 782745639 /nfs/dbraw/zinc/74/56/39/782745639.db2.gz VZSZZGXCLMEHIU-CYBMUJFWSA-N 1 1 324.385 -1.379 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ncccn1)[C@H]1C[N@H+](C)CCO1 ZINC001119080205 782747077 /nfs/dbraw/zinc/74/70/77/782747077.db2.gz HJDDAUJFRIFUIN-WDEREUQCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[C@H](NC(=O)C(=O)NCc1ncccn1)[C@H]1C[N@@H+](C)CCO1 ZINC001119080205 782747083 /nfs/dbraw/zinc/74/70/83/782747083.db2.gz HJDDAUJFRIFUIN-WDEREUQCSA-N 1 1 307.354 -1.072 20 0 DAADMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@H]21 ZINC001119103762 782747434 /nfs/dbraw/zinc/74/74/34/782747434.db2.gz OFFPDWGVNQSGIR-GHMZBOCLSA-N 1 1 317.411 -1.300 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001119197589 782749279 /nfs/dbraw/zinc/74/92/79/782749279.db2.gz GHCSQMNMKQZJEL-WDEREUQCSA-N 1 1 306.370 -1.016 20 0 DAADMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCCNC(=O)C1 ZINC001119178429 782749362 /nfs/dbraw/zinc/74/93/62/782749362.db2.gz XRNRABRPWIQITG-NEPJUHHUSA-N 1 1 324.381 -1.686 20 0 DAADMO Cn1cnc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC001119197588 782749640 /nfs/dbraw/zinc/74/96/40/782749640.db2.gz GHCSQMNMKQZJEL-QWRGUYRKSA-N 1 1 306.370 -1.016 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084648 782749716 /nfs/dbraw/zinc/74/97/16/782749716.db2.gz YSFLEPKBLPJSTQ-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149084648 782749722 /nfs/dbraw/zinc/74/97/22/782749722.db2.gz YSFLEPKBLPJSTQ-JQWIXIFHSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084773 782749990 /nfs/dbraw/zinc/74/99/90/782749990.db2.gz ZDCMYNYNWHTWSB-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149084773 782749996 /nfs/dbraw/zinc/74/99/96/782749996.db2.gz ZDCMYNYNWHTWSB-NEPJUHHUSA-N 1 1 314.386 -1.407 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCC[C@@H]1CCC[N@H+]1CCO ZINC001266244925 775118982 /nfs/dbraw/zinc/11/89/82/775118982.db2.gz ZRFBVMXZURFMDM-LLVKDONJSA-N 1 1 307.416 -1.111 20 0 DAADMO C[N@@H+](CCCNC(=O)C(F)(F)F)CCNC(=O)CC(N)=O ZINC001266264448 775120412 /nfs/dbraw/zinc/12/04/12/775120412.db2.gz VBDMCLAIEDFGHA-UHFFFAOYSA-N 1 1 312.292 -1.022 20 0 DAADMO C[C@H](C(N)=O)N1CC[NH+](CCCNC(=O)Cn2ccnc2)CC1 ZINC001266279236 775121120 /nfs/dbraw/zinc/12/11/20/775121120.db2.gz JGONXILMBQUVPO-CYBMUJFWSA-N 1 1 322.413 -1.119 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCN2C(=O)CCC2=O)nn1 ZINC001266270691 775121157 /nfs/dbraw/zinc/12/11/57/775121157.db2.gz AXQVMAFPYSCLHC-UHFFFAOYSA-N 1 1 308.342 -1.374 20 0 DAADMO Cc1ccc(C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)nn1 ZINC001266272921 775121188 /nfs/dbraw/zinc/12/11/88/775121188.db2.gz GHKJDLMJVZRXAM-UHFFFAOYSA-N 1 1 320.353 -1.002 20 0 DAADMO CCn1nncc1C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266270703 775121241 /nfs/dbraw/zinc/12/12/41/775121241.db2.gz BFGKLHCWGXCECC-VIFPVBQESA-N 1 1 308.342 -1.235 20 0 DAADMO CCn1nncc1C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266270703 775121247 /nfs/dbraw/zinc/12/12/47/775121247.db2.gz BFGKLHCWGXCECC-VIFPVBQESA-N 1 1 308.342 -1.235 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266277264 775121312 /nfs/dbraw/zinc/12/13/12/775121312.db2.gz UMJUOGQFDGGNBS-ZJUUUORDSA-N 1 1 312.370 -1.246 20 0 DAADMO CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266277264 775121319 /nfs/dbraw/zinc/12/13/19/775121319.db2.gz UMJUOGQFDGGNBS-ZJUUUORDSA-N 1 1 312.370 -1.246 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC001266271001 775121575 /nfs/dbraw/zinc/12/15/75/775121575.db2.gz FFGNKMRSNUMRIU-LLVKDONJSA-N 1 1 300.359 -1.397 20 0 DAADMO C[C@H](CC(N)=O)C(=O)NCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001266269207 775121757 /nfs/dbraw/zinc/12/17/57/775121757.db2.gz BZBRZSUSBRTADP-LLVKDONJSA-N 1 1 313.402 -1.893 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266277262 775121788 /nfs/dbraw/zinc/12/17/88/775121788.db2.gz UMJUOGQFDGGNBS-UWVGGRQHSA-N 1 1 312.370 -1.246 20 0 DAADMO CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001266277262 775121797 /nfs/dbraw/zinc/12/17/97/775121797.db2.gz UMJUOGQFDGGNBS-UWVGGRQHSA-N 1 1 312.370 -1.246 20 0 DAADMO C[C@@H](C(=O)N(C)C)N1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001266272014 775122125 /nfs/dbraw/zinc/12/21/25/775122125.db2.gz VHAFWRZAFYYLKL-NSHDSACASA-N 1 1 313.402 -1.928 20 0 DAADMO O=C(NCCN1CC[NH+](CCOCCO)CC1)[C@H]1CCOC1 ZINC001266280998 775123359 /nfs/dbraw/zinc/12/33/59/775123359.db2.gz AYEZKRDOKMUMNS-AWEZNQCLSA-N 1 1 315.414 -1.234 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266315385 775127481 /nfs/dbraw/zinc/12/74/81/775127481.db2.gz VDRPJCQPKUUKRB-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)CCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266315385 775127491 /nfs/dbraw/zinc/12/74/91/775127491.db2.gz VDRPJCQPKUUKRB-WDEREUQCSA-N 1 1 324.381 -1.102 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266310263 775128361 /nfs/dbraw/zinc/12/83/61/775128361.db2.gz FQJXYTJGNMJHFI-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001266310263 775128366 /nfs/dbraw/zinc/12/83/66/775128366.db2.gz FQJXYTJGNMJHFI-DTWKUNHWSA-N 1 1 313.358 -1.714 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001266317567 775129310 /nfs/dbraw/zinc/12/93/10/775129310.db2.gz RTJIAYSATRLDKG-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001266319506 775129401 /nfs/dbraw/zinc/12/94/01/775129401.db2.gz MYASJAGVOHFTLT-CHWSQXEVSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@H](CNC(=O)C(N)=O)[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC001282448364 775129418 /nfs/dbraw/zinc/12/94/18/775129418.db2.gz ACPVHLPTPPPSHI-QMMMGPOBSA-N 1 1 313.358 -1.761 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001266322642 775129527 /nfs/dbraw/zinc/12/95/27/775129527.db2.gz LCGORDPZOFRWSX-AEJSXWLSSA-N 1 1 314.342 -2.218 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)n1 ZINC001266326877 775130285 /nfs/dbraw/zinc/13/02/85/775130285.db2.gz OTDAXEFMXRMSJC-NSHDSACASA-N 1 1 322.369 -1.399 20 0 DAADMO Cn1ncc(CCC(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)n1 ZINC001266326877 775130293 /nfs/dbraw/zinc/13/02/93/775130293.db2.gz OTDAXEFMXRMSJC-NSHDSACASA-N 1 1 322.369 -1.399 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCOCCO)C1)c1ccn2nnnc2c1 ZINC001266333471 775131333 /nfs/dbraw/zinc/13/13/33/775131333.db2.gz NUNIVZGHHKEKHG-LBPRGKRZSA-N 1 1 320.353 -1.063 20 0 DAADMO CO[C@@H](C)C[N@@H+](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001266332404 775131446 /nfs/dbraw/zinc/13/14/46/775131446.db2.gz MVYWNJRDTSOWCT-VIFPVBQESA-N 1 1 314.342 -1.510 20 0 DAADMO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCCO)C2)O1 ZINC001266341609 775134011 /nfs/dbraw/zinc/13/40/11/775134011.db2.gz KVFIYUDBTHZESZ-SDDRHHMPSA-N 1 1 315.370 -1.781 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)on1 ZINC001266358498 775134942 /nfs/dbraw/zinc/13/49/42/775134942.db2.gz SZTSQDVVLIZPOZ-SNVBAGLBSA-N 1 1 314.342 -1.023 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)NC1=O ZINC001266358114 775135273 /nfs/dbraw/zinc/13/52/73/775135273.db2.gz MONIJPTTWFZEJK-VIFPVBQESA-N 1 1 324.337 -2.011 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@H]1CCC(=O)NC1=O ZINC001266358114 775135285 /nfs/dbraw/zinc/13/52/85/775135285.db2.gz MONIJPTTWFZEJK-VIFPVBQESA-N 1 1 324.337 -2.011 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001266357088 775135960 /nfs/dbraw/zinc/13/59/60/775135960.db2.gz NKBMMSSNERCNBR-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001266357088 775135965 /nfs/dbraw/zinc/13/59/65/775135965.db2.gz NKBMMSSNERCNBR-VIFPVBQESA-N 1 1 311.342 -2.183 20 0 DAADMO CC[N@H+](CCNC(=O)CC(N)=O)[C@H](C)C(=O)NC(=O)NC ZINC001266383407 775136380 /nfs/dbraw/zinc/13/63/80/775136380.db2.gz NSFFUQGRMHGAKE-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(N)=O)[C@H](C)C(=O)NC(=O)NC ZINC001266383407 775136391 /nfs/dbraw/zinc/13/63/91/775136391.db2.gz NSFFUQGRMHGAKE-MRVPVSSYSA-N 1 1 301.347 -1.856 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCC(=O)N1)[C@H]1CCC(=O)NC1=O ZINC001266396303 775137887 /nfs/dbraw/zinc/13/78/87/775137887.db2.gz DMKLWDXFQNHSFX-MNOVXSKESA-N 1 1 324.381 -1.102 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@H]1CCCNC1=O)C[C@H](O)COC ZINC001266396943 775138899 /nfs/dbraw/zinc/13/88/99/775138899.db2.gz ORMQQKWCCLSHMH-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CCNC(=O)CC(=O)NCC(F)(F)F)CC(N)=O ZINC001266425372 775139846 /nfs/dbraw/zinc/13/98/46/775139846.db2.gz MKMBPMXKXXKCTJ-UHFFFAOYSA-N 1 1 312.292 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(=O)NCC(F)(F)F)CC(N)=O ZINC001266425372 775139852 /nfs/dbraw/zinc/13/98/52/775139852.db2.gz MKMBPMXKXXKCTJ-UHFFFAOYSA-N 1 1 312.292 -1.022 20 0 DAADMO CC[N@@H+](CCNC(=O)C(N)=O)CC[C@H]1CCS(=O)(=O)C1 ZINC001266413406 775140891 /nfs/dbraw/zinc/14/08/91/775140891.db2.gz MAVWITWPCOSPBD-JTQLQIEISA-N 1 1 305.400 -1.265 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001266494546 775146037 /nfs/dbraw/zinc/14/60/37/775146037.db2.gz RVQXKTRUBRTKBR-GRYCIOLGSA-N 1 1 315.370 -1.829 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001266494546 775146043 /nfs/dbraw/zinc/14/60/43/775146043.db2.gz RVQXKTRUBRTKBR-GRYCIOLGSA-N 1 1 315.370 -1.829 20 0 DAADMO COC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001266503661 775146193 /nfs/dbraw/zinc/14/61/93/775146193.db2.gz YDGKPMBRNWZKSD-LLVKDONJSA-N 1 1 303.359 -1.211 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001266494547 775146433 /nfs/dbraw/zinc/14/64/33/775146433.db2.gz RVQXKTRUBRTKBR-TUAOUCFPSA-N 1 1 315.370 -1.829 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001266494547 775146440 /nfs/dbraw/zinc/14/64/40/775146440.db2.gz RVQXKTRUBRTKBR-TUAOUCFPSA-N 1 1 315.370 -1.829 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001266499432 775146944 /nfs/dbraw/zinc/14/69/44/775146944.db2.gz ANJAJFTWKWORHW-VXGBXAGGSA-N 1 1 324.381 -1.292 20 0 DAADMO COCCC[N@H+]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001266524911 775149649 /nfs/dbraw/zinc/14/96/49/775149649.db2.gz AICAKJAJPDOBPF-CYBMUJFWSA-N 1 1 312.414 -1.107 20 0 DAADMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528456 775149735 /nfs/dbraw/zinc/14/97/35/775149735.db2.gz QFSZXGFLAMVPBL-NXEZZACHSA-N 1 1 320.353 -1.273 20 0 DAADMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528456 775149739 /nfs/dbraw/zinc/14/97/39/775149739.db2.gz QFSZXGFLAMVPBL-NXEZZACHSA-N 1 1 320.353 -1.273 20 0 DAADMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266527791 775149983 /nfs/dbraw/zinc/14/99/83/775149983.db2.gz DIFAGWYMJLNOFQ-ZJUUUORDSA-N 1 1 303.384 -1.656 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 ZINC001167323984 775151277 /nfs/dbraw/zinc/15/12/77/775151277.db2.gz QYEDSIIQEJVMAR-MRVPVSSYSA-N 1 1 319.387 -1.088 20 0 DAADMO O=C([C@@H]1CCC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098538720 775151714 /nfs/dbraw/zinc/15/17/14/775151714.db2.gz YTNBUQQLYKCXSX-ZDUSSCGKSA-N 1 1 313.398 -1.067 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001266540479 775153148 /nfs/dbraw/zinc/15/31/48/775153148.db2.gz XNHMIEAYXLTQJL-GFCCVEGCSA-N 1 1 324.381 -1.253 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001266537977 775153513 /nfs/dbraw/zinc/15/35/13/775153513.db2.gz WEVHOKGUOWLUJD-NEPJUHHUSA-N 1 1 313.398 -1.042 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125408551 775154479 /nfs/dbraw/zinc/15/44/79/775154479.db2.gz BEGBJLLXXDUCJE-LLVKDONJSA-N 1 1 315.374 -1.533 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)CCc1nc[nH]n1 ZINC001125409619 775154619 /nfs/dbraw/zinc/15/46/19/775154619.db2.gz STPCPQNGCHXMQN-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO CN(CC[NH2+]CCNC(=O)CCc1nc[nH]n1)S(C)(=O)=O ZINC001125408965 775155202 /nfs/dbraw/zinc/15/52/02/775155202.db2.gz ILTYFMQRWJCLOK-UHFFFAOYSA-N 1 1 318.403 -1.666 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001125409409 775155342 /nfs/dbraw/zinc/15/53/42/775155342.db2.gz PUDYYHKKYZQNKR-SNVBAGLBSA-N 1 1 315.399 -1.122 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001125414314 775155445 /nfs/dbraw/zinc/15/54/45/775155445.db2.gz JWUNBYKMHRGIQM-LLVKDONJSA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(CCc1nc[nH]n1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001125419405 775157083 /nfs/dbraw/zinc/15/70/83/775157083.db2.gz BOKNETAKZCPUGE-UHFFFAOYSA-N 1 1 323.357 -1.569 20 0 DAADMO CN(CCOCC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC(=O)N1 ZINC001279450495 775160338 /nfs/dbraw/zinc/16/03/38/775160338.db2.gz QMSZDZVOHGTCQT-NSHDSACASA-N 1 1 311.342 -1.087 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001266604972 775160460 /nfs/dbraw/zinc/16/04/60/775160460.db2.gz WZYGLRZXRDHFJX-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001266604972 775160468 /nfs/dbraw/zinc/16/04/68/775160468.db2.gz WZYGLRZXRDHFJX-WDEREUQCSA-N 1 1 322.365 -1.492 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001266716954 775173428 /nfs/dbraw/zinc/17/34/28/775173428.db2.gz YFDXQZSNZBTUQN-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)CN1CCOCC1=O ZINC001266726470 775173645 /nfs/dbraw/zinc/17/36/45/775173645.db2.gz XABDIOAZDYFYSH-UHFFFAOYSA-N 1 1 309.370 -1.173 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001266716956 775173698 /nfs/dbraw/zinc/17/36/98/775173698.db2.gz YINYOVHQFWQVHC-UHFFFAOYSA-N 1 1 318.403 -1.698 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001266767511 775177395 /nfs/dbraw/zinc/17/73/95/775177395.db2.gz OVTJBOVOFRYZQJ-MNOVXSKESA-N 1 1 312.370 -1.253 20 0 DAADMO CN(CC[NH2+]Cc1nncn1C)C(=O)CN1CCNC(=O)C1 ZINC001266800332 775178875 /nfs/dbraw/zinc/17/88/75/775178875.db2.gz SVRKNQKDURUKDH-UHFFFAOYSA-N 1 1 309.374 -2.205 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)C(N)=O ZINC001213352987 775181271 /nfs/dbraw/zinc/18/12/71/775181271.db2.gz MLMDVGQSNQOWIT-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001279530470 775183760 /nfs/dbraw/zinc/18/37/60/775183760.db2.gz UZDHPHSJBUWZIH-CQSZACIVSA-N 1 1 312.370 -1.110 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125547026 775184298 /nfs/dbraw/zinc/18/42/98/775184298.db2.gz RRNSKCZRPVYLMP-ZDUSSCGKSA-N 1 1 314.386 -1.010 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1cc(C)n[nH]1 ZINC001125546627 775184502 /nfs/dbraw/zinc/18/45/02/775184502.db2.gz JBXRVKDGIGJNFI-UHFFFAOYSA-N 1 1 310.358 -1.188 20 0 DAADMO C[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001283256318 775185917 /nfs/dbraw/zinc/18/59/17/775185917.db2.gz JEZGBPDJUTXCHW-GHMZBOCLSA-N 1 1 319.427 -1.006 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901205 775186694 /nfs/dbraw/zinc/18/66/94/775186694.db2.gz HEBIWEMARKNOMZ-QABNJGPSSA-N 1 1 308.382 -1.177 20 0 DAADMO CC[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CCNC1=O ZINC001266901205 775186698 /nfs/dbraw/zinc/18/66/98/775186698.db2.gz HEBIWEMARKNOMZ-QABNJGPSSA-N 1 1 308.382 -1.177 20 0 DAADMO CCn1ncnc1C[NH2+][C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001266979201 775191396 /nfs/dbraw/zinc/19/13/96/775191396.db2.gz ZQHUZYGFQRNXGA-SECBINFHSA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1nnnn1C ZINC001266998844 775193099 /nfs/dbraw/zinc/19/30/99/775193099.db2.gz PIPMCRDENVXQTF-YUMQZZPRSA-N 1 1 309.330 -2.143 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001267089602 775202114 /nfs/dbraw/zinc/20/21/14/775202114.db2.gz JWFPEQVLXNITBO-UHFFFAOYSA-N 1 1 317.415 -1.174 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC2=CC[N@@H+](CCO)CC2)c1=O ZINC001279575101 775204502 /nfs/dbraw/zinc/20/45/02/775204502.db2.gz YETGXSIQBFLSOM-UHFFFAOYSA-N 1 1 322.365 -1.712 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267111328 775204636 /nfs/dbraw/zinc/20/46/36/775204636.db2.gz NQDAZPKROKARAF-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267115599 775205184 /nfs/dbraw/zinc/20/51/84/775205184.db2.gz XKXSDMNIVPJPJW-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001267115599 775205194 /nfs/dbraw/zinc/20/51/94/775205194.db2.gz XKXSDMNIVPJPJW-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267111318 775205244 /nfs/dbraw/zinc/20/52/44/775205244.db2.gz NQDAZPKROKARAF-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@@H]1CCNC(=O)C1 ZINC001125615218 775207464 /nfs/dbraw/zinc/20/74/64/775207464.db2.gz BXRGIGZWPUVAEU-SNVBAGLBSA-N 1 1 312.349 -1.020 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)o1 ZINC001267195057 775209936 /nfs/dbraw/zinc/20/99/36/775209936.db2.gz MHSJOSRKBHVTPG-VIFPVBQESA-N 1 1 309.326 -1.226 20 0 DAADMO Cc1nnc(CC(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)o1 ZINC001267195057 775209944 /nfs/dbraw/zinc/20/99/44/775209944.db2.gz MHSJOSRKBHVTPG-VIFPVBQESA-N 1 1 309.326 -1.226 20 0 DAADMO Cn1cc(C(=O)NCC[N@@H+](C)CCCN2C(=O)CNC2=O)nn1 ZINC001267195332 775209998 /nfs/dbraw/zinc/20/99/98/775209998.db2.gz WCOAIDUIUDPVBV-UHFFFAOYSA-N 1 1 323.357 -1.581 20 0 DAADMO C[N@H+](CCNC(=O)CNC(=O)C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267186588 775211049 /nfs/dbraw/zinc/21/10/49/775211049.db2.gz FUNDNTBVDWJKCS-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001267186588 775211055 /nfs/dbraw/zinc/21/10/55/775211055.db2.gz FUNDNTBVDWJKCS-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO Cc1c[nH]nc1C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001267194666 775211141 /nfs/dbraw/zinc/21/11/41/775211141.db2.gz CIGINBSCWLRDMH-UHFFFAOYSA-N 1 1 308.342 -1.068 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001267206070 775211953 /nfs/dbraw/zinc/21/19/53/775211953.db2.gz LRRAPIGACBIFRZ-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001267206070 775211959 /nfs/dbraw/zinc/21/19/59/775211959.db2.gz LRRAPIGACBIFRZ-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198959 775212051 /nfs/dbraw/zinc/21/20/51/775212051.db2.gz DTCBTMVSQJWHMI-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001267198959 775212055 /nfs/dbraw/zinc/21/20/55/775212055.db2.gz DTCBTMVSQJWHMI-WDEREUQCSA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)C[C@@H]1CCc2ncnn21 ZINC001267210426 775212075 /nfs/dbraw/zinc/21/20/75/775212075.db2.gz GYGODMYHCGTOST-WDEREUQCSA-N 1 1 306.370 -1.051 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCNC1=O)C[C@H]1CCc2ncnn21 ZINC001267210416 775212117 /nfs/dbraw/zinc/21/21/17/775212117.db2.gz GYGODMYHCGTOST-GHMZBOCLSA-N 1 1 306.370 -1.051 20 0 DAADMO C[N@H+](CCNC(=O)C[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267199357 775212353 /nfs/dbraw/zinc/21/23/53/775212353.db2.gz MBNNOWGGUSXURL-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)C[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1=O ZINC001267199357 775212358 /nfs/dbraw/zinc/21/23/58/775212358.db2.gz MBNNOWGGUSXURL-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198958 775212909 /nfs/dbraw/zinc/21/29/09/775212909.db2.gz DTCBTMVSQJWHMI-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO CCN1C[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1=O ZINC001267198958 775212918 /nfs/dbraw/zinc/21/29/18/775212918.db2.gz DTCBTMVSQJWHMI-QWRGUYRKSA-N 1 1 324.381 -1.292 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1=O ZINC001267204870 775213241 /nfs/dbraw/zinc/21/32/41/775213241.db2.gz OCUDETMJAVLBHP-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCC(=O)NC1=O ZINC001267204870 775213247 /nfs/dbraw/zinc/21/32/47/775213247.db2.gz OCUDETMJAVLBHP-ZJUUUORDSA-N 1 1 310.354 -1.634 20 0 DAADMO Cn1cc(C[N@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC001267199338 775213415 /nfs/dbraw/zinc/21/34/15/775213415.db2.gz LSQJWGBOPIMQIU-JTQLQIEISA-N 1 1 308.342 -1.434 20 0 DAADMO Cn1cc(C[N@@H+](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC001267199338 775213419 /nfs/dbraw/zinc/21/34/19/775213419.db2.gz LSQJWGBOPIMQIU-JTQLQIEISA-N 1 1 308.342 -1.434 20 0 DAADMO C[N@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1=O ZINC001267204867 775213433 /nfs/dbraw/zinc/21/34/33/775213433.db2.gz OCUDETMJAVLBHP-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCC(=O)NC1=O ZINC001267204867 775213438 /nfs/dbraw/zinc/21/34/38/775213438.db2.gz OCUDETMJAVLBHP-NXEZZACHSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001267217812 775214330 /nfs/dbraw/zinc/21/43/30/775214330.db2.gz QEAVGNGYDYEGCE-SNVBAGLBSA-N 1 1 321.337 -1.420 20 0 DAADMO C[N@@H+](CCNC(=O)c1ccc(C(N)=O)[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001267217812 775214341 /nfs/dbraw/zinc/21/43/41/775214341.db2.gz QEAVGNGYDYEGCE-SNVBAGLBSA-N 1 1 321.337 -1.420 20 0 DAADMO CN1CC[C@H]([N@H+](C)CCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001267221425 775216082 /nfs/dbraw/zinc/21/60/82/775216082.db2.gz IDAJVCHSKFIMFJ-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO CN1CC[C@H]([N@@H+](C)CCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001267221425 775216087 /nfs/dbraw/zinc/21/60/87/775216087.db2.gz IDAJVCHSKFIMFJ-JTQLQIEISA-N 1 1 310.354 -1.682 20 0 DAADMO C[N@@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)CCn1cccn1 ZINC001267229842 775216952 /nfs/dbraw/zinc/21/69/52/775216952.db2.gz UZFRYYLZMTXYKM-LLVKDONJSA-N 1 1 322.369 -1.081 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001267235179 775217284 /nfs/dbraw/zinc/21/72/84/775217284.db2.gz WJCTUTWECKGJMP-ZJUUUORDSA-N 1 1 301.343 -1.906 20 0 DAADMO C[N@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@H]1CCCNC1=O ZINC001267229300 775217493 /nfs/dbraw/zinc/21/74/93/775217493.db2.gz LZDNPUKRDXAOOF-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO C[N@@H+](CCNC(=O)CN1C(=O)CCC1=O)[C@H]1CCCNC1=O ZINC001267229300 775217501 /nfs/dbraw/zinc/21/75/01/775217501.db2.gz LZDNPUKRDXAOOF-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CC[N@H+](CCNC(=O)CC(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001267237707 775218463 /nfs/dbraw/zinc/21/84/63/775218463.db2.gz UPHZGELDZRKTGS-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO CC[N@@H+](CCNC(=O)CC(N)=O)C[C@H]1CCS(=O)(=O)C1 ZINC001267237707 775218467 /nfs/dbraw/zinc/21/84/67/775218467.db2.gz UPHZGELDZRKTGS-SNVBAGLBSA-N 1 1 305.400 -1.265 20 0 DAADMO CC[N@@H+](CCCO)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001267256416 775220006 /nfs/dbraw/zinc/22/00/06/775220006.db2.gz VQTAPHCFWUUXEG-UHFFFAOYSA-N 1 1 300.359 -1.299 20 0 DAADMO CC[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1C)[C@H]1CCC(=O)NC1=O ZINC001267249843 775220560 /nfs/dbraw/zinc/22/05/60/775220560.db2.gz XODNTIMPFQNCRM-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267283354 775221794 /nfs/dbraw/zinc/22/17/94/775221794.db2.gz WITVPJAANFDMJC-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267283354 775221805 /nfs/dbraw/zinc/22/18/05/775221805.db2.gz WITVPJAANFDMJC-JTQLQIEISA-N 1 1 310.354 -1.538 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001267279980 775221899 /nfs/dbraw/zinc/22/18/99/775221899.db2.gz PGXHAQZQCSANKX-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC1CC1)C(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001267279980 775221908 /nfs/dbraw/zinc/22/19/08/775221908.db2.gz PGXHAQZQCSANKX-RYUDHWBXSA-N 1 1 308.382 -1.018 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]C1CC(CNC(=O)C(N)=O)C1 ZINC001100626623 775222007 /nfs/dbraw/zinc/22/20/07/775222007.db2.gz INJMLGRAQODCBC-UHFFFAOYSA-N 1 1 309.374 -1.102 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001267281739 775222025 /nfs/dbraw/zinc/22/20/25/775222025.db2.gz KYWNPXVPMFJNHA-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267274503 775222778 /nfs/dbraw/zinc/22/27/78/775222778.db2.gz PNKAAYVETMAOKH-NXEZZACHSA-N 1 1 322.365 -1.362 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCC(=O)NC2=O)CC1 ZINC001267274503 775222782 /nfs/dbraw/zinc/22/27/82/775222782.db2.gz PNKAAYVETMAOKH-NXEZZACHSA-N 1 1 322.365 -1.362 20 0 DAADMO O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267294375 775224528 /nfs/dbraw/zinc/22/45/28/775224528.db2.gz HFOUSKVRKJGKCL-CHWSQXEVSA-N 1 1 313.398 -1.040 20 0 DAADMO CCC[N@@H+](CCNC(=O)CN1C(=O)CNC1=O)[C@H](C)C(N)=O ZINC001267319517 775226072 /nfs/dbraw/zinc/22/60/72/775226072.db2.gz KIYXAZOTUAAESG-SECBINFHSA-N 1 1 313.358 -1.760 20 0 DAADMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267308641 775226211 /nfs/dbraw/zinc/22/62/11/775226211.db2.gz CYBFSRMMUTUJNR-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO NC(=O)C1(C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)CC1 ZINC001267302167 775226681 /nfs/dbraw/zinc/22/66/81/775226681.db2.gz MQWFJSABRPOHFQ-LLVKDONJSA-N 1 1 323.397 -1.285 20 0 DAADMO COCC[N@H+]1CC[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001267307066 775226768 /nfs/dbraw/zinc/22/67/68/775226768.db2.gz KWRCCSBCTVTYIY-LLVKDONJSA-N 1 1 312.370 -1.035 20 0 DAADMO CN(C)C(=O)C[N@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001267339009 775227883 /nfs/dbraw/zinc/22/78/83/775227883.db2.gz VYTPTZIRALVBBM-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO CN(C)C(=O)C[N@@H+](CCNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001267339009 775227890 /nfs/dbraw/zinc/22/78/90/775227890.db2.gz VYTPTZIRALVBBM-JTQLQIEISA-N 1 1 324.381 -1.292 20 0 DAADMO O=C(NCC[N@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001267327343 775228421 /nfs/dbraw/zinc/22/84/21/775228421.db2.gz KDWRRVJRXQPGFD-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO O=C(NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001267327343 775228425 /nfs/dbraw/zinc/22/84/25/775228425.db2.gz KDWRRVJRXQPGFD-NWDGAFQWSA-N 1 1 308.382 -1.018 20 0 DAADMO C[C@H]1CN(C(=O)CC(N)=O)CC2(CC[NH+](CC(N)=O)CC2)O1 ZINC001098578250 775228660 /nfs/dbraw/zinc/22/86/60/775228660.db2.gz OQIQDJZMYAMTFW-JTQLQIEISA-N 1 1 312.370 -1.571 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267321989 775228965 /nfs/dbraw/zinc/22/89/65/775228965.db2.gz QNXQVMXMIHKJHN-SKDRFNHKSA-N 1 1 324.381 -1.103 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001267321989 775228970 /nfs/dbraw/zinc/22/89/70/775228970.db2.gz QNXQVMXMIHKJHN-SKDRFNHKSA-N 1 1 324.381 -1.103 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)C1=COCCO1 ZINC001279648313 775229016 /nfs/dbraw/zinc/22/90/16/775229016.db2.gz ZHPZSSDCGOVRSV-UHFFFAOYSA-N 1 1 311.342 -1.386 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111771228 775232035 /nfs/dbraw/zinc/23/20/35/775232035.db2.gz ZMOUJLAJZOYECZ-RWSFTLGLSA-N 1 1 323.397 -1.225 20 0 DAADMO CNC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(N)=O)C2 ZINC001111771409 775234793 /nfs/dbraw/zinc/23/47/93/775234793.db2.gz DCHNVJZLZKMFCF-BHDSKKPTSA-N 1 1 311.386 -1.240 20 0 DAADMO CN(CC[NH2+]Cc1cnns1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001267386540 775235608 /nfs/dbraw/zinc/23/56/08/775235608.db2.gz LJOMIPLVWNMBLC-QMMMGPOBSA-N 1 1 312.355 -1.316 20 0 DAADMO Cc1nnc(C[NH2+]CCN(C)C(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001267393979 775236059 /nfs/dbraw/zinc/23/60/59/775236059.db2.gz ANOOAJJSQLXOCH-UHFFFAOYSA-N 1 1 308.346 -1.743 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)CN1CCN(C)C(=O)C1 ZINC001267396459 775236613 /nfs/dbraw/zinc/23/66/13/775236613.db2.gz VDLBMXVTQWFGDJ-UHFFFAOYSA-N 1 1 322.413 -1.258 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267432762 775238799 /nfs/dbraw/zinc/23/87/99/775238799.db2.gz FGCKNWKNXJIHPH-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOCCO)CC1 ZINC001267423350 775238933 /nfs/dbraw/zinc/23/89/33/775238933.db2.gz OGJATDWKLZYDOG-TXEJJXNPSA-N 1 1 311.382 -1.064 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001267433070 775238963 /nfs/dbraw/zinc/23/89/63/775238963.db2.gz LYFWRDYZFWHWAK-SNVBAGLBSA-N 1 1 317.415 -1.094 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098165468 775242682 /nfs/dbraw/zinc/24/26/82/775242682.db2.gz DPLCDMQYVQCJSL-MXWKQRLJSA-N 1 1 310.354 -1.358 20 0 DAADMO Cc1nonc1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098584264 775243330 /nfs/dbraw/zinc/24/33/30/775243330.db2.gz RKWSAHVWHUIHHH-UHFFFAOYSA-N 1 1 311.342 -1.238 20 0 DAADMO CN(CC[NH2+]Cc1nccn1C)C(=O)CN1C(=O)CNC1=O ZINC001267467089 775243630 /nfs/dbraw/zinc/24/36/30/775243630.db2.gz XWZDBUFPTPBGLA-UHFFFAOYSA-N 1 1 308.342 -1.480 20 0 DAADMO CCn1ncnc1C[NH2+]CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267477727 775244872 /nfs/dbraw/zinc/24/48/72/775244872.db2.gz KDMOFHSPYRVWPR-JTQLQIEISA-N 1 1 322.369 -1.101 20 0 DAADMO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1nonc1C ZINC001267471101 775245052 /nfs/dbraw/zinc/24/50/52/775245052.db2.gz VJTPSLYKHDTXJB-UHFFFAOYSA-N 1 1 305.360 -1.525 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CC(N)=O)[C@H]3C2(C)C)n1 ZINC001087299336 775247095 /nfs/dbraw/zinc/24/70/95/775247095.db2.gz UJRKCDCSRBAPRE-FBIMIBRVSA-N 1 1 321.385 -1.086 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CC(N)=O)[C@H]3C2(C)C)n1 ZINC001087299336 775247102 /nfs/dbraw/zinc/24/71/02/775247102.db2.gz UJRKCDCSRBAPRE-FBIMIBRVSA-N 1 1 321.385 -1.086 20 0 DAADMO CC1(C)[C@H](NC(=O)Cn2ncnn2)[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]21 ZINC001087286681 775247202 /nfs/dbraw/zinc/24/72/02/775247202.db2.gz VRPAQHWSYQOYOI-WQAKAFBOSA-N 1 1 321.385 -1.236 20 0 DAADMO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001267482173 775247328 /nfs/dbraw/zinc/24/73/28/775247328.db2.gz OWCFIEXIHHRHCD-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO CCCN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001267482173 775247332 /nfs/dbraw/zinc/24/73/32/775247332.db2.gz OWCFIEXIHHRHCD-LLVKDONJSA-N 1 1 324.381 -1.066 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCNC(=O)C2)nn1 ZINC001279686747 775247517 /nfs/dbraw/zinc/24/75/17/775247517.db2.gz JLIJTGVLQCOHQG-LLVKDONJSA-N 1 1 324.385 -1.748 20 0 DAADMO NC(=O)C(=O)NCC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001267570361 775250372 /nfs/dbraw/zinc/25/03/72/775250372.db2.gz NMIDYFICTPENOA-VIFPVBQESA-N 1 1 307.358 -1.179 20 0 DAADMO NC(=O)C(=O)NCC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001267570361 775250379 /nfs/dbraw/zinc/25/03/79/775250379.db2.gz NMIDYFICTPENOA-VIFPVBQESA-N 1 1 307.358 -1.179 20 0 DAADMO NC(=O)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267554578 775250677 /nfs/dbraw/zinc/25/06/77/775250677.db2.gz INXRRWGBWOHVFT-NXEZZACHSA-N 1 1 310.354 -1.505 20 0 DAADMO C[C@H](C[N@H+]1CC[C@@H](CCNC(=O)C(N)=O)C1)CS(C)(=O)=O ZINC001267563618 775251289 /nfs/dbraw/zinc/25/12/89/775251289.db2.gz CAVZSUMSOFLLNI-GHMZBOCLSA-N 1 1 319.427 -1.019 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267603521 775253903 /nfs/dbraw/zinc/25/39/03/775253903.db2.gz TYONKZSBFCRVKB-UHFFFAOYSA-N 1 1 313.358 -1.902 20 0 DAADMO COCCOCCN1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267641030 775258501 /nfs/dbraw/zinc/25/85/01/775258501.db2.gz SOSIXUXODJJYCC-CYBMUJFWSA-N 1 1 301.387 -1.220 20 0 DAADMO COCCOCCN1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267641030 775258508 /nfs/dbraw/zinc/25/85/08/775258508.db2.gz SOSIXUXODJJYCC-CYBMUJFWSA-N 1 1 301.387 -1.220 20 0 DAADMO C[C@H](CN(C)C(=O)CN1C(=O)CNC1=O)[NH2+]Cc1cnon1 ZINC001283712503 775259697 /nfs/dbraw/zinc/25/96/97/775259697.db2.gz CNQPIMMCZJUPIZ-MRVPVSSYSA-N 1 1 310.314 -1.442 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC1CC1 ZINC001087384696 775263662 /nfs/dbraw/zinc/26/36/62/775263662.db2.gz LOYBJTBNYPRZEH-RYDUCSDGSA-N 1 1 320.393 -1.081 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NC1CC1 ZINC001087384698 775263916 /nfs/dbraw/zinc/26/39/16/775263916.db2.gz LOYBJTBNYPRZEH-SYEHKZFSSA-N 1 1 320.393 -1.081 20 0 DAADMO COCCOC[C@H](O)CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267669343 775264990 /nfs/dbraw/zinc/26/49/90/775264990.db2.gz HHJUSYXOUYSTLZ-TZMCWYRMSA-N 1 1 315.414 -1.238 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001219093032 775265602 /nfs/dbraw/zinc/26/56/02/775265602.db2.gz DAKPXWYFRSOQSV-UTUOFQBUSA-N 1 1 322.377 -1.080 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001219093032 775265606 /nfs/dbraw/zinc/26/56/06/775265606.db2.gz DAKPXWYFRSOQSV-UTUOFQBUSA-N 1 1 322.377 -1.080 20 0 DAADMO COCCOC[C@@H](O)CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267669342 775265999 /nfs/dbraw/zinc/26/59/99/775265999.db2.gz HHJUSYXOUYSTLZ-OCCSQVGLSA-N 1 1 315.414 -1.238 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCn2cncn2)C1 ZINC001087385891 775266768 /nfs/dbraw/zinc/26/67/68/775266768.db2.gz DNXKUKYWXADZFL-CYDGBPFRSA-N 1 1 318.381 -1.068 20 0 DAADMO NC(=O)CCCC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267700981 775268021 /nfs/dbraw/zinc/26/80/21/775268021.db2.gz LEZJIBZIWKSVGQ-SNVBAGLBSA-N 1 1 310.354 -1.505 20 0 DAADMO CNC(=O)C1(C(=O)NCC2C[NH+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001267695199 775268318 /nfs/dbraw/zinc/26/83/18/775268318.db2.gz ZOLVJFFQWQXQHF-SNVBAGLBSA-N 1 1 322.365 -1.634 20 0 DAADMO CNC(=O)C1(C(=O)NCC2C[NH+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001267695198 775269013 /nfs/dbraw/zinc/26/90/13/775269013.db2.gz ZOLVJFFQWQXQHF-JTQLQIEISA-N 1 1 322.365 -1.634 20 0 DAADMO COc1ccc(OC)c(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001143503024 775271583 /nfs/dbraw/zinc/27/15/83/775271583.db2.gz ZMTQKWLZSNRTNV-ILXRZTDVSA-N 1 1 321.381 -1.235 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001267727374 775271780 /nfs/dbraw/zinc/27/17/80/775271780.db2.gz FCBKQXUYNPOJQU-VHSXEESVSA-N 1 1 318.399 -2.138 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001267727374 775271784 /nfs/dbraw/zinc/27/17/84/775271784.db2.gz FCBKQXUYNPOJQU-VHSXEESVSA-N 1 1 318.399 -2.138 20 0 DAADMO NC(=O)C1(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001267729769 775273987 /nfs/dbraw/zinc/27/39/87/775273987.db2.gz FGIUCCBFMMZONG-RYUDHWBXSA-N 1 1 321.381 -1.300 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745252 775275347 /nfs/dbraw/zinc/27/53/47/775275347.db2.gz XQOGCDSYNUPWQP-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267745252 775275355 /nfs/dbraw/zinc/27/53/55/775275355.db2.gz XQOGCDSYNUPWQP-GHMZBOCLSA-N 1 1 324.381 -1.020 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001267745328 775275653 /nfs/dbraw/zinc/27/56/53/775275653.db2.gz MDEHXYJGYHBYGW-GFCCVEGCSA-N 1 1 314.386 -1.534 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267745919 775275873 /nfs/dbraw/zinc/27/58/73/775275873.db2.gz KNMCVFMUKRRAAE-QMMMGPOBSA-N 1 1 313.358 -1.775 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001267741074 775276388 /nfs/dbraw/zinc/27/63/88/775276388.db2.gz HWWAEPPXTYZESW-GFCCVEGCSA-N 1 1 324.385 -1.228 20 0 DAADMO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267757394 775277293 /nfs/dbraw/zinc/27/72/93/775277293.db2.gz VHYDPGXPNWHRIC-OLZOCXBDSA-N 1 1 302.371 -1.057 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001267767117 775278275 /nfs/dbraw/zinc/27/82/75/775278275.db2.gz DPZXJBCMPQDGCV-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001267767117 775278285 /nfs/dbraw/zinc/27/82/85/775278285.db2.gz DPZXJBCMPQDGCV-BDAKNGLRSA-N 1 1 311.342 -2.150 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267756314 775279141 /nfs/dbraw/zinc/27/91/41/775279141.db2.gz ZVWUIKWAAMQBBQ-MXWKQRLJSA-N 1 1 313.354 -1.763 20 0 DAADMO COCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001267778864 775280737 /nfs/dbraw/zinc/28/07/37/775280737.db2.gz IQOWCKBXNDJIOP-LLVKDONJSA-N 1 1 324.385 -1.054 20 0 DAADMO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267771016 775281229 /nfs/dbraw/zinc/28/12/29/775281229.db2.gz XBUUTMVYAYCGII-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001267771016 775281234 /nfs/dbraw/zinc/28/12/34/775281234.db2.gz XBUUTMVYAYCGII-SNVBAGLBSA-N 1 1 320.415 -1.666 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105142109 775288348 /nfs/dbraw/zinc/28/83/48/775288348.db2.gz FYGBGMWMBSECQV-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO COC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CNC(C)=O)C2)nn1 ZINC001105142125 775288672 /nfs/dbraw/zinc/28/86/72/775288672.db2.gz GROLZUDHKLVLRQ-JTQLQIEISA-N 1 1 324.385 -1.078 20 0 DAADMO CNC(=O)CCCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105215675 775292527 /nfs/dbraw/zinc/29/25/27/775292527.db2.gz FOGCSYVPHMZACR-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C(CCn1ccnn1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105221521 775293437 /nfs/dbraw/zinc/29/34/37/775293437.db2.gz MFMKCGXQBQBPQS-UHFFFAOYSA-N 1 1 320.357 -1.575 20 0 DAADMO Cn1ccc(CC(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)n1 ZINC001105238175 775295285 /nfs/dbraw/zinc/29/52/85/775295285.db2.gz NPVAZJBZTNAUBQ-UHFFFAOYSA-N 1 1 319.369 -1.281 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105262206 775297661 /nfs/dbraw/zinc/29/76/61/775297661.db2.gz NPZTVGLSKVUVEO-UHFFFAOYSA-N 1 1 310.358 -1.745 20 0 DAADMO O=C(C[C@H]1CCNC1=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105256488 775298040 /nfs/dbraw/zinc/29/80/40/775298040.db2.gz GLDQLSHFHBCQOV-SNVBAGLBSA-N 1 1 322.369 -1.731 20 0 DAADMO C[C@H](C(=O)NCC[NH2+]Cc1nnc2n1CCOC2)n1cncn1 ZINC001125929442 775298110 /nfs/dbraw/zinc/29/81/10/775298110.db2.gz BILCZWAUCKUMKZ-SNVBAGLBSA-N 1 1 320.357 -1.133 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105265099 775299411 /nfs/dbraw/zinc/29/94/11/775299411.db2.gz YEOIHNLSMZNISV-UHFFFAOYSA-N 1 1 321.341 -1.206 20 0 DAADMO COCC[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001105276881 775299541 /nfs/dbraw/zinc/29/95/41/775299541.db2.gz WLJBDAKPKCBSFS-UHFFFAOYSA-N 1 1 306.330 -1.171 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105300973 775302988 /nfs/dbraw/zinc/30/29/88/775302988.db2.gz GXOCLDIYBHBQTL-SECBINFHSA-N 1 1 310.358 -1.745 20 0 DAADMO NC(=O)C(=O)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105315277 775304611 /nfs/dbraw/zinc/30/46/11/775304611.db2.gz DYZBPOUOOGZBGS-UHFFFAOYSA-N 1 1 312.330 -2.755 20 0 DAADMO NC(=O)C1(C(=O)N2CC(n3cc(C[NH2+]CCO)nn3)C2)CC1 ZINC001105315290 775304632 /nfs/dbraw/zinc/30/46/32/775304632.db2.gz FQEOFWNVXDYGHT-UHFFFAOYSA-N 1 1 308.342 -1.991 20 0 DAADMO O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105308539 775305109 /nfs/dbraw/zinc/30/51/09/775305109.db2.gz PHARQSYSSIMJHV-ITGUQSILSA-N 1 1 307.354 -1.364 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105313892 775305212 /nfs/dbraw/zinc/30/52/12/775305212.db2.gz JMVLSSQTCDYVOS-SNVBAGLBSA-N 1 1 309.330 -2.575 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CCCN1C)C[NH2+]CCNS(C)(=O)=O ZINC001267981685 775308758 /nfs/dbraw/zinc/30/87/58/775308758.db2.gz QNOPGGHKYZSOHL-NWDGAFQWSA-N 1 1 320.459 -1.028 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1COCCN1C ZINC001125946977 775309555 /nfs/dbraw/zinc/30/95/55/775309555.db2.gz XYBVPTQYTVTLTK-LLVKDONJSA-N 1 1 311.390 -1.381 20 0 DAADMO O=C(Cc1cnc[nH]1)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105334371 775312271 /nfs/dbraw/zinc/31/22/71/775312271.db2.gz DRSYZBUGWCIBTL-UHFFFAOYSA-N 1 1 305.342 -1.291 20 0 DAADMO CN1CCOC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001125961920 775313396 /nfs/dbraw/zinc/31/33/96/775313396.db2.gz XVVBSHJKJAXXQJ-NSHDSACASA-N 1 1 314.365 -1.216 20 0 DAADMO C[C@H](CNC(=O)c1ncn[nH]1)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268008590 775314764 /nfs/dbraw/zinc/31/47/64/775314764.db2.gz OQEDTPNXBAARDL-VIFPVBQESA-N 1 1 318.403 -1.348 20 0 DAADMO C[C@H](CNC(=O)c1nc[nH]n1)C[NH2+]CCN(C)S(C)(=O)=O ZINC001268008590 775314777 /nfs/dbraw/zinc/31/47/77/775314777.db2.gz OQEDTPNXBAARDL-VIFPVBQESA-N 1 1 318.403 -1.348 20 0 DAADMO C[C@@H](CNC(=O)CN1C(=O)CCC1=O)C[NH2+]Cc1nnn(C)n1 ZINC001268013480 775315260 /nfs/dbraw/zinc/31/52/60/775315260.db2.gz ZOGAJZBIWJIGFI-SECBINFHSA-N 1 1 323.357 -1.799 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCOCCO)CCO1 ZINC001268019016 775316251 /nfs/dbraw/zinc/31/62/51/775316251.db2.gz OKAKANUWUORUOY-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCOCCO)CCO1 ZINC001268019015 775316665 /nfs/dbraw/zinc/31/66/65/775316665.db2.gz OKAKANUWUORUOY-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)CN1CN=NC1=O ZINC001126020839 775319983 /nfs/dbraw/zinc/31/99/83/775319983.db2.gz CAGYIDMOCAVHSF-UHFFFAOYSA-N 1 1 323.361 -1.369 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1ncnn1CCF ZINC001126022102 775321070 /nfs/dbraw/zinc/32/10/70/775321070.db2.gz YDFCYZZOOLPQST-UHFFFAOYSA-N 1 1 312.309 -1.549 20 0 DAADMO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001126027392 775321894 /nfs/dbraw/zinc/32/18/94/775321894.db2.gz QXFZTQIMDGUWSF-UHFFFAOYSA-N 1 1 307.318 -1.789 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001268024227 775322983 /nfs/dbraw/zinc/32/29/83/775322983.db2.gz AMJFOBGFGCWMNY-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001268024227 775322994 /nfs/dbraw/zinc/32/29/94/775322994.db2.gz AMJFOBGFGCWMNY-VIFPVBQESA-N 1 1 309.313 -1.433 20 0 DAADMO COCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001268023778 775323520 /nfs/dbraw/zinc/32/35/20/775323520.db2.gz QEJRCVIMHBLRHG-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001268023778 775323527 /nfs/dbraw/zinc/32/35/27/775323527.db2.gz QEJRCVIMHBLRHG-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@H](OC)C1 ZINC001213859789 775324703 /nfs/dbraw/zinc/32/47/03/775324703.db2.gz KRZISXWDIZQYOS-MGPQQGTHSA-N 1 1 315.414 -1.095 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099318 775327173 /nfs/dbraw/zinc/32/71/73/775327173.db2.gz MLKXRUNZWMENEU-UHFFFAOYSA-N 1 1 307.362 -1.082 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136419 775328195 /nfs/dbraw/zinc/32/81/95/775328195.db2.gz HMRWPEYZFPRODT-UWVGGRQHSA-N 1 1 315.374 -1.874 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136419 775328205 /nfs/dbraw/zinc/32/82/05/775328205.db2.gz HMRWPEYZFPRODT-UWVGGRQHSA-N 1 1 315.374 -1.874 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)COC)C[C@H]1OC ZINC001213874297 775332792 /nfs/dbraw/zinc/33/27/92/775332792.db2.gz NSCNPDQNSQIUPK-HBNTYKKESA-N 1 1 323.415 -1.614 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1OC ZINC001213874297 775332803 /nfs/dbraw/zinc/33/28/03/775332803.db2.gz NSCNPDQNSQIUPK-HBNTYKKESA-N 1 1 323.415 -1.614 20 0 DAADMO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001126287336 775340737 /nfs/dbraw/zinc/34/07/37/775340737.db2.gz GTIKZOHAQRMLNE-UHFFFAOYSA-N 1 1 322.369 -1.508 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C1CN(C(C)=O)C1 ZINC001126297027 775343613 /nfs/dbraw/zinc/34/36/13/775343613.db2.gz AETIJQLUDXFEGN-UHFFFAOYSA-N 1 1 309.374 -1.233 20 0 DAADMO COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136680 775347998 /nfs/dbraw/zinc/34/79/98/775347998.db2.gz KFEHSAJUMDGUDF-GHMZBOCLSA-N 1 1 318.374 -2.131 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001268158511 775348794 /nfs/dbraw/zinc/34/87/94/775348794.db2.gz QSHXPHAFLAFVII-RYUDHWBXSA-N 1 1 324.381 -1.150 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001268158511 775348798 /nfs/dbraw/zinc/34/87/98/775348798.db2.gz QSHXPHAFLAFVII-RYUDHWBXSA-N 1 1 324.381 -1.150 20 0 DAADMO O=C(CN1CCOCC1)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001268184109 775349289 /nfs/dbraw/zinc/34/92/89/775349289.db2.gz PLFMQBPFSAVVHP-AWEZNQCLSA-N 1 1 315.414 -1.092 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CCC[C@H](NC(=O)CC(N)=O)C1 ZINC001268183205 775349982 /nfs/dbraw/zinc/34/99/82/775349982.db2.gz IAUNIJUBRNFCSI-LBPRGKRZSA-N 1 1 314.386 -1.405 20 0 DAADMO CC(C)[C@H](CNC(=O)c1ncn[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001268223386 775352473 /nfs/dbraw/zinc/35/24/73/775352473.db2.gz UULHDPVZBCAMLV-VIFPVBQESA-N 1 1 323.357 -1.300 20 0 DAADMO CC(C)[C@H](CNC(=O)c1nc[nH]n1)[NH2+]CCN1C(=O)CNC1=O ZINC001268223386 775352484 /nfs/dbraw/zinc/35/24/84/775352484.db2.gz UULHDPVZBCAMLV-VIFPVBQESA-N 1 1 323.357 -1.300 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268238294 775352535 /nfs/dbraw/zinc/35/25/35/775352535.db2.gz DZSWZCUSRDZGAH-ZJUUUORDSA-N 1 1 316.358 -2.018 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001268252633 775354301 /nfs/dbraw/zinc/35/43/01/775354301.db2.gz CXRUZYGYLVDLSC-LLVKDONJSA-N 1 1 315.370 -1.563 20 0 DAADMO CN(CC[N@@H+](C)CCN1C(=O)CCC1=O)C(=O)c1cn[nH]n1 ZINC001268242300 775355369 /nfs/dbraw/zinc/35/53/69/775355369.db2.gz KBZPRWHDVKZHCI-UHFFFAOYSA-N 1 1 308.342 -1.043 20 0 DAADMO CN(CC[N@@H+](C)C[C@@H](O)CN1C(=O)CCC1=O)C(=O)C(N)=O ZINC001268247642 775355442 /nfs/dbraw/zinc/35/54/42/775355442.db2.gz SXGQESLIDBMHIV-SECBINFHSA-N 1 1 314.342 -2.628 20 0 DAADMO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001268256229 775355944 /nfs/dbraw/zinc/35/59/44/775355944.db2.gz LMJSBQGFLCTJOP-NXEZZACHSA-N 1 1 300.359 -1.254 20 0 DAADMO Cn1cc(Cl)c(C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O)n1 ZINC001268301742 775358819 /nfs/dbraw/zinc/35/88/19/775358819.db2.gz YHYVHTZSGRGLEC-SSDOTTSWSA-N 1 1 303.750 -1.484 20 0 DAADMO C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccon1)N1C(=O)CCC1=O ZINC001268307951 775360838 /nfs/dbraw/zinc/36/08/38/775360838.db2.gz XDTFVWRKVOVKNC-GXSJLCMTSA-N 1 1 324.337 -1.221 20 0 DAADMO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1)N1C(=O)CCC1=O ZINC001268307962 775362386 /nfs/dbraw/zinc/36/23/86/775362386.db2.gz XDTFVWRKVOVKNC-ONGXEEELSA-N 1 1 324.337 -1.221 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O)n1 ZINC001268311171 775364641 /nfs/dbraw/zinc/36/46/41/775364641.db2.gz GQHHWMUXZUDWPQ-JTQLQIEISA-N 1 1 312.374 -1.624 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001268315514 775366306 /nfs/dbraw/zinc/36/63/06/775366306.db2.gz BZMWWHBICWOHKA-GHMZBOCLSA-N 1 1 322.431 -2.304 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316369 775366457 /nfs/dbraw/zinc/36/64/57/775366457.db2.gz KSTVBOLEZJHZJK-WDEREUQCSA-N 1 1 307.416 -1.808 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001268316369 775366467 /nfs/dbraw/zinc/36/64/67/775366467.db2.gz KSTVBOLEZJHZJK-WDEREUQCSA-N 1 1 307.416 -1.808 20 0 DAADMO CCc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCNC2=O)o1 ZINC001268316185 775366659 /nfs/dbraw/zinc/36/66/59/775366659.db2.gz IHZUIBGDNFDMHX-KOLCDFICSA-N 1 1 310.354 -1.060 20 0 DAADMO Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCN(C)C2=O)[nH]1 ZINC001268319726 775369164 /nfs/dbraw/zinc/36/91/64/775369164.db2.gz LJMRTRZTGAJJME-NXEZZACHSA-N 1 1 310.358 -1.842 20 0 DAADMO CCn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CCNC2=O)n1 ZINC001268324258 775371432 /nfs/dbraw/zinc/37/14/32/775371432.db2.gz RGVBGQIBFOBXHH-SMDDNHRTSA-N 1 1 324.385 -1.609 20 0 DAADMO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001268326301 775371914 /nfs/dbraw/zinc/37/19/14/775371914.db2.gz FAUAWCPIGSUJKI-NSHDSACASA-N 1 1 322.373 -1.678 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001268331958 775374093 /nfs/dbraw/zinc/37/40/93/775374093.db2.gz WDCSLCARRGEEKT-QMMMGPOBSA-N 1 1 319.329 -1.934 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001268331949 775374529 /nfs/dbraw/zinc/37/45/29/775374529.db2.gz WDCSLCARRGEEKT-MRVPVSSYSA-N 1 1 319.329 -1.934 20 0 DAADMO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)no1 ZINC001268335984 775376190 /nfs/dbraw/zinc/37/61/90/775376190.db2.gz BHWJIAPCQQLNQP-MWLCHTKSSA-N 1 1 324.337 -1.397 20 0 DAADMO Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001268336542 775376935 /nfs/dbraw/zinc/37/69/35/775376935.db2.gz FAAYCELGVMSZFB-PSASIEDQSA-N 1 1 324.341 -2.565 20 0 DAADMO CCN(CC[NH2+]Cc1ncnn1C)C(=O)CN1CCOCC1=O ZINC001268454660 775384592 /nfs/dbraw/zinc/38/45/92/775384592.db2.gz VPRGVXFBYICYSD-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001212178008 775387587 /nfs/dbraw/zinc/38/75/87/775387587.db2.gz FITKELNJLTXTAT-VXGBXAGGSA-N 1 1 317.386 -1.399 20 0 DAADMO CCN(CC[NH2+]Cc1cnn(C)n1)C(=O)C1CC(=O)NC(=O)C1 ZINC001268486342 775388499 /nfs/dbraw/zinc/38/84/99/775388499.db2.gz VGIWNRQLOGGWFS-UHFFFAOYSA-N 1 1 322.369 -1.194 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211757109 775389668 /nfs/dbraw/zinc/38/96/68/775389668.db2.gz OCPOGAKESZVJTN-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211757109 775389674 /nfs/dbraw/zinc/38/96/74/775389674.db2.gz OCPOGAKESZVJTN-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H](OC)C1 ZINC001211776955 775391352 /nfs/dbraw/zinc/39/13/52/775391352.db2.gz XJXDNLNHEUEJDA-RAIGVLPGSA-N 1 1 310.354 -1.087 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211802532 775393827 /nfs/dbraw/zinc/39/38/27/775393827.db2.gz UPYNVFLJUVMFND-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1OC ZINC001211802532 775393836 /nfs/dbraw/zinc/39/38/36/775393836.db2.gz UPYNVFLJUVMFND-VXGBXAGGSA-N 1 1 314.386 -1.137 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211809452 775394202 /nfs/dbraw/zinc/39/42/02/775394202.db2.gz CMRDVUZILZGLSX-CYZMBNFOSA-N 1 1 317.386 -1.665 20 0 DAADMO COc1cncc(C[NH2+]C/C=C\CNC(=O)Cn2cnnn2)n1 ZINC001268511907 775395307 /nfs/dbraw/zinc/39/53/07/775395307.db2.gz SUCMZNJTFOWNRC-IHWYPQMZSA-N 1 1 318.341 -1.066 20 0 DAADMO CN1C[C@H](C(=O)NC/C=C/C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1=O ZINC001268545449 775396782 /nfs/dbraw/zinc/39/67/82/775396782.db2.gz NVKJRNMTUJHNGC-HMDXOVGESA-N 1 1 322.369 -1.651 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC(=O)N2)nc1=O ZINC001268556406 775398691 /nfs/dbraw/zinc/39/86/91/775398691.db2.gz XJSFQLKRILABKR-MXQLGCADSA-N 1 1 322.369 -1.461 20 0 DAADMO Cn1cnnc1C[NH2+]C/C=C\CNC(=O)CN1CCOCC1=O ZINC001268550988 775399043 /nfs/dbraw/zinc/39/90/43/775399043.db2.gz YHGSFQXLPCZVQY-IHWYPQMZSA-N 1 1 322.369 -1.564 20 0 DAADMO Cn1[nH]c(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC(=O)N2)nc1=O ZINC001268556407 775399285 /nfs/dbraw/zinc/39/92/85/775399285.db2.gz XJSFQLKRILABKR-VMZHVLLKSA-N 1 1 322.369 -1.461 20 0 DAADMO Cn1cc(C[NH2+]C/C=C\CNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001268560504 775401047 /nfs/dbraw/zinc/40/10/47/775401047.db2.gz XVILPGKKEJKLEB-ARJAWSKDSA-N 1 1 320.357 -1.828 20 0 DAADMO Cn1cc(C[NH2+]C/C=C/CNC(=O)Cn2ncn(C)c2=O)nn1 ZINC001268560505 775401124 /nfs/dbraw/zinc/40/11/24/775401124.db2.gz XVILPGKKEJKLEB-ONEGZZNKSA-N 1 1 320.357 -1.828 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC001211825826 775402284 /nfs/dbraw/zinc/40/22/84/775402284.db2.gz XDKMXYLOFPECOB-VXGBXAGGSA-N 1 1 312.374 -1.087 20 0 DAADMO C[NH+](C)CC1(C(=O)NC/C=C/CNCC(=O)NC(N)=O)CC1 ZINC001268584745 775402487 /nfs/dbraw/zinc/40/24/87/775402487.db2.gz ZOAAWOIJEBHKPU-ONEGZZNKSA-N 1 1 311.386 -1.215 20 0 DAADMO CN1CC(C(=O)NCC=CC[NH2+][C@@H]2CCC(=O)NC2=O)=NC1=O ZINC001268588810 775404457 /nfs/dbraw/zinc/40/44/57/775404457.db2.gz VWYZNNQPRSMUAY-PKRMOACSSA-N 1 1 321.337 -1.194 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833489 775404670 /nfs/dbraw/zinc/40/46/70/775404670.db2.gz BDGQIDWKJYEKFO-GMTAPVOTSA-N 1 1 302.375 -1.369 20 0 DAADMO CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833933 775405202 /nfs/dbraw/zinc/40/52/02/775405202.db2.gz UCSAADDWJJRONK-VXGBXAGGSA-N 1 1 324.385 -1.554 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)CNC(N)=O ZINC001211833490 775405345 /nfs/dbraw/zinc/40/53/45/775405345.db2.gz BDGQIDWKJYEKFO-HBNTYKKESA-N 1 1 302.375 -1.369 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211835726 775406182 /nfs/dbraw/zinc/40/61/82/775406182.db2.gz KIYFCKVQXCKGNE-IVZWLZJFSA-N 1 1 315.374 -2.053 20 0 DAADMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211835726 775406186 /nfs/dbraw/zinc/40/61/86/775406186.db2.gz KIYFCKVQXCKGNE-IVZWLZJFSA-N 1 1 315.374 -2.053 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211836108 775406340 /nfs/dbraw/zinc/40/63/40/775406340.db2.gz SFVLWJQACPHDSS-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211835727 775406742 /nfs/dbraw/zinc/40/67/42/775406742.db2.gz KIYFCKVQXCKGNE-OPRDCNLKSA-N 1 1 315.374 -2.053 20 0 DAADMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211835727 775406747 /nfs/dbraw/zinc/40/67/47/775406747.db2.gz KIYFCKVQXCKGNE-OPRDCNLKSA-N 1 1 315.374 -2.053 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211835911 775407264 /nfs/dbraw/zinc/40/72/64/775407264.db2.gz NVWFZJWSQBPATQ-VXGBXAGGSA-N 1 1 314.386 -1.103 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1ncn[nH]1)NC1CCOCC1 ZINC001268604512 775408395 /nfs/dbraw/zinc/40/83/95/775408395.db2.gz BSRXEHRRBXKEJP-OWOJBTEDSA-N 1 1 322.369 -1.025 20 0 DAADMO O=C(C[NH2+]CC=CCNC(=O)c1nc[nH]n1)NC1CCOCC1 ZINC001268604512 775408399 /nfs/dbraw/zinc/40/83/99/775408399.db2.gz BSRXEHRRBXKEJP-OWOJBTEDSA-N 1 1 322.369 -1.025 20 0 DAADMO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CNC(N)=O ZINC001211838480 775408451 /nfs/dbraw/zinc/40/84/51/775408451.db2.gz WMTNWOREKWZURG-VXGBXAGGSA-N 1 1 324.385 -1.288 20 0 DAADMO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CNC(N)=O ZINC001211838480 775408454 /nfs/dbraw/zinc/40/84/54/775408454.db2.gz WMTNWOREKWZURG-VXGBXAGGSA-N 1 1 324.385 -1.288 20 0 DAADMO C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)c1cnn[nH]1 ZINC001268651509 775412577 /nfs/dbraw/zinc/41/25/77/775412577.db2.gz HPVTXQGTUSIQNL-SECBINFHSA-N 1 1 316.387 -1.452 20 0 DAADMO CC[C@]1(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)CCNC1=O ZINC001268650011 775412884 /nfs/dbraw/zinc/41/28/84/775412884.db2.gz WHXLOUXSEWABNL-RNCFNFMXSA-N 1 1 309.374 -1.279 20 0 DAADMO Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648884 775413304 /nfs/dbraw/zinc/41/33/04/775413304.db2.gz ZTGXDRCABGYRMU-SVRRBLITSA-N 1 1 310.314 -1.430 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[NH2+]CCS(C)(=O)=O)n[nH]1 ZINC001268686263 775414526 /nfs/dbraw/zinc/41/45/26/775414526.db2.gz WCQGOOKODANWSF-QMMMGPOBSA-N 1 1 303.388 -1.205 20 0 DAADMO C[C@@H](C[NH2+]Cc1nnnn1CC(F)(F)F)NC(=O)CC(N)=O ZINC001268683670 775414674 /nfs/dbraw/zinc/41/46/74/775414674.db2.gz UZMQBTHYNSVDJV-LURJTMIESA-N 1 1 323.279 -1.295 20 0 DAADMO Cc1nc(CC(=O)N[C@@H](C)C[NH2+][C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001268689089 775416943 /nfs/dbraw/zinc/41/69/43/775416943.db2.gz RCEZMJIOGSCRSX-IONNQARKSA-N 1 1 308.342 -1.445 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001268718641 775417597 /nfs/dbraw/zinc/41/75/97/775417597.db2.gz LYILJPNEYAVUPC-UWVGGRQHSA-N 1 1 322.369 -1.055 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CN1CCCC1=O ZINC001268719988 775417653 /nfs/dbraw/zinc/41/76/53/775417653.db2.gz DZWDBZCYOXKUDP-QWRGUYRKSA-N 1 1 324.381 -1.150 20 0 DAADMO COCC(=O)N[C@@H](C)C[N@@H+](C)C[C@H](O)CN1C(=O)CCC1=O ZINC001268719309 775418386 /nfs/dbraw/zinc/41/83/86/775418386.db2.gz ZLIJLWAHQKISSA-QWRGUYRKSA-N 1 1 315.370 -1.421 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268750651 775419703 /nfs/dbraw/zinc/41/97/03/775419703.db2.gz CJPWMBPWRLHOBH-SECBINFHSA-N 1 1 313.358 -1.937 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268750651 775419709 /nfs/dbraw/zinc/41/97/09/775419709.db2.gz CJPWMBPWRLHOBH-SECBINFHSA-N 1 1 313.358 -1.937 20 0 DAADMO C[C@@H](C[N@@H+](C)CCOCCO)NC(=O)[C@]1(C)CCNC1=O ZINC001268746880 775420006 /nfs/dbraw/zinc/42/00/06/775420006.db2.gz OFBVGDJAVXCLAG-SMDDNHRTSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H](C[N@@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001268741559 775420422 /nfs/dbraw/zinc/42/04/22/775420422.db2.gz UFSWVACSMBDLEQ-IUCAKERBSA-N 1 1 323.353 -1.019 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001149181887 775420749 /nfs/dbraw/zinc/42/07/49/775420749.db2.gz KDYKNHKRLRKRQS-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCn2cncn2)C1 ZINC001149181887 775420754 /nfs/dbraw/zinc/42/07/54/775420754.db2.gz KDYKNHKRLRKRQS-NEPJUHHUSA-N 1 1 324.385 -1.251 20 0 DAADMO C[C@H](C[N@@H+](C)CCN1C(=O)CCC1=O)NC(=O)Cn1ncnn1 ZINC001268730303 775420791 /nfs/dbraw/zinc/42/07/91/775420791.db2.gz IEKAWFIYYISDRT-SNVBAGLBSA-N 1 1 323.357 -1.741 20 0 DAADMO C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268744207 775420995 /nfs/dbraw/zinc/42/09/95/775420995.db2.gz SRJCVYWRFKUMRT-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268744207 775421001 /nfs/dbraw/zinc/42/10/01/775421001.db2.gz SRJCVYWRFKUMRT-BDAKNGLRSA-N 1 1 313.358 -1.904 20 0 DAADMO Cc1noc(C[NH2+]CCCN(C)C(=O)CN2CCNC(=O)C2)n1 ZINC001268812903 775423646 /nfs/dbraw/zinc/42/36/46/775423646.db2.gz MNVIOLRHFKZMPD-UHFFFAOYSA-N 1 1 324.385 -1.252 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001268871049 775427145 /nfs/dbraw/zinc/42/71/45/775427145.db2.gz BSGHWWJSVJNVJY-TUAOUCFPSA-N 1 1 312.370 -1.702 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001268871049 775427154 /nfs/dbraw/zinc/42/71/54/775427154.db2.gz BSGHWWJSVJNVJY-TUAOUCFPSA-N 1 1 312.370 -1.702 20 0 DAADMO CN1CC[C@@H]([NH+]2CC(CNC(=O)C(=O)NCC3CC3)C2)C1=O ZINC001268891472 775428713 /nfs/dbraw/zinc/42/87/13/775428713.db2.gz CECQOJOPJVNHEI-GFCCVEGCSA-N 1 1 308.382 -1.209 20 0 DAADMO NC(=O)C(=O)NCC1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC001268874719 775429027 /nfs/dbraw/zinc/42/90/27/775429027.db2.gz WJKALIXJSQPJFZ-UHFFFAOYSA-N 1 1 303.384 -1.656 20 0 DAADMO C[C@H](C(=O)N(C)C)[NH+]1CC(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001268922685 775430541 /nfs/dbraw/zinc/43/05/41/775430541.db2.gz SLUVQFIMHGSFAS-KOLCDFICSA-N 1 1 324.381 -1.436 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001268965319 775431542 /nfs/dbraw/zinc/43/15/42/775431542.db2.gz OPGRVUXQDOHGTI-GARJFASQSA-N 1 1 301.343 -2.219 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001268965319 775431551 /nfs/dbraw/zinc/43/15/51/775431551.db2.gz OPGRVUXQDOHGTI-GARJFASQSA-N 1 1 301.343 -2.219 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001268965766 775431881 /nfs/dbraw/zinc/43/18/81/775431881.db2.gz WDDZKMRPXZODCM-SRVKXCTJSA-N 1 1 323.349 -1.073 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)COCc1ccco1 ZINC001268965766 775431885 /nfs/dbraw/zinc/43/18/85/775431885.db2.gz WDDZKMRPXZODCM-SRVKXCTJSA-N 1 1 323.349 -1.073 20 0 DAADMO CN(CC(=O)N1CCN(C)C[C@@]2(CCCC(=O)N2)C1)C(N)=[NH2+] ZINC001268996486 775433644 /nfs/dbraw/zinc/43/36/44/775433644.db2.gz LWUWQBKISBVMMG-AWEZNQCLSA-N 1 1 310.402 -1.375 20 0 DAADMO CN(CC(=O)N1CCN(C)C[C@]2(CCCC(=O)N2)C1)C(N)=[NH2+] ZINC001268996489 775434163 /nfs/dbraw/zinc/43/41/63/775434163.db2.gz LWUWQBKISBVMMG-CQSZACIVSA-N 1 1 310.402 -1.375 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CCO1 ZINC001269013981 775435222 /nfs/dbraw/zinc/43/52/22/775435222.db2.gz BCHLRJYUBBGLMQ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CCO1 ZINC001269013981 775435231 /nfs/dbraw/zinc/43/52/31/775435231.db2.gz BCHLRJYUBBGLMQ-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nc[nH]c1C(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001279920396 775437146 /nfs/dbraw/zinc/43/71/46/775437146.db2.gz UTLYZRBTZHYODJ-UHFFFAOYSA-N 1 1 308.346 -1.534 20 0 DAADMO CN1CC[NH+](CCC(=O)N2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)CC1 ZINC001269030199 775437373 /nfs/dbraw/zinc/43/73/73/775437373.db2.gz DIZPBQJUHDOMMH-JLNYLFASSA-N 1 1 324.425 -1.150 20 0 DAADMO COCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001269052169 775438322 /nfs/dbraw/zinc/43/83/22/775438322.db2.gz WPHZLIHCBVCUDC-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO O=C(C[NH+](CCO)CCO)N1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001269094677 775442011 /nfs/dbraw/zinc/44/20/11/775442011.db2.gz IVPYULHITHODSP-UHFFFAOYSA-N 1 1 323.397 -1.660 20 0 DAADMO Cn1cnnc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001269098936 775442234 /nfs/dbraw/zinc/44/22/34/775442234.db2.gz DIWHHZAJTUUFJW-MNOVXSKESA-N 1 1 306.370 -1.064 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001269101393 775442336 /nfs/dbraw/zinc/44/23/36/775442336.db2.gz ZVWUIKWAAMQBBQ-GARJFASQSA-N 1 1 313.354 -1.763 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001269101394 775442380 /nfs/dbraw/zinc/44/23/80/775442380.db2.gz ZVWUIKWAAMQBBQ-OUAUKWLOSA-N 1 1 313.354 -1.763 20 0 DAADMO O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1ncn[nH]1 ZINC001269131081 775443837 /nfs/dbraw/zinc/44/38/37/775443837.db2.gz ZRYLUHSOYPHNPQ-VIFPVBQESA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)c1nc[nH]n1 ZINC001269131081 775443844 /nfs/dbraw/zinc/44/38/44/775443844.db2.gz ZRYLUHSOYPHNPQ-VIFPVBQESA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C1)c1nc2ncccn2n1 ZINC001269183046 775447796 /nfs/dbraw/zinc/44/77/96/775447796.db2.gz SFNARYJAFFBDDT-LLVKDONJSA-N 1 1 320.353 -1.063 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001269227716 775449408 /nfs/dbraw/zinc/44/94/08/775449408.db2.gz QOFHVQSBPWBSRO-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001269227716 775449414 /nfs/dbraw/zinc/44/94/14/775449414.db2.gz QOFHVQSBPWBSRO-QWRGUYRKSA-N 1 1 317.411 -1.171 20 0 DAADMO COCCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001269273332 775454718 /nfs/dbraw/zinc/45/47/18/775454718.db2.gz VRJSYDPSLSJBLK-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO COCCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001269273332 775454727 /nfs/dbraw/zinc/45/47/27/775454727.db2.gz VRJSYDPSLSJBLK-NWDGAFQWSA-N 1 1 314.386 -1.137 20 0 DAADMO Cn1nnc2c(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)ncn2c1=O ZINC001269290343 775455385 /nfs/dbraw/zinc/45/53/85/775455385.db2.gz CHNWFKMZFDSVIH-DTWKUNHWSA-N 1 1 303.326 -1.401 20 0 DAADMO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC001269301551 775456740 /nfs/dbraw/zinc/45/67/40/775456740.db2.gz ALUTZQBFEKXEOG-NKSNSFCRSA-N 1 1 302.327 -2.909 20 0 DAADMO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269312104 775456882 /nfs/dbraw/zinc/45/68/82/775456882.db2.gz CJIVHBYBJIVQNM-NZHYYXIDSA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001269312104 775456888 /nfs/dbraw/zinc/45/68/88/775456888.db2.gz CJIVHBYBJIVQNM-NZHYYXIDSA-N 1 1 302.327 -3.207 20 0 DAADMO C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]2C1 ZINC001269312491 775458453 /nfs/dbraw/zinc/45/84/53/775458453.db2.gz FWONSTZCSHUDPD-OGBGREFGSA-N 1 1 302.327 -3.207 20 0 DAADMO C[NH+]1CC2(C1)CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001269313037 775458663 /nfs/dbraw/zinc/45/86/63/775458663.db2.gz NPGFVVCMZFYRRS-HBNTYKKESA-N 1 1 316.354 -2.815 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H]2CC[N@@H+]2CCn2cncn2)CC1 ZINC001269321434 775460183 /nfs/dbraw/zinc/46/01/83/775460183.db2.gz WCVZEVBEFIWENN-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@H]2CC[N@H+]2CCn2cncn2)CC1 ZINC001269321434 775460194 /nfs/dbraw/zinc/46/01/94/775460194.db2.gz WCVZEVBEFIWENN-LLVKDONJSA-N 1 1 306.370 -1.005 20 0 DAADMO COCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001284508388 775464269 /nfs/dbraw/zinc/46/42/69/775464269.db2.gz DMAMSRJURRJUJR-SNVBAGLBSA-N 1 1 300.363 -1.389 20 0 DAADMO CC[C@@H](CNC(=O)c1cnn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001269432185 775464361 /nfs/dbraw/zinc/46/43/61/775464361.db2.gz JUHBMZSBVLXPAK-VIFPVBQESA-N 1 1 323.357 -1.155 20 0 DAADMO CC[C@H](CNC(=O)c1cnn[nH]1)[NH2+]CCCN1C(=O)CNC1=O ZINC001269432184 775464408 /nfs/dbraw/zinc/46/44/08/775464408.db2.gz JUHBMZSBVLXPAK-SECBINFHSA-N 1 1 323.357 -1.155 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001284517673 775466413 /nfs/dbraw/zinc/46/64/13/775466413.db2.gz YJJDSZFTTQBPHT-ONGXEEELSA-N 1 1 315.370 -1.829 20 0 DAADMO CC[C@H](CNC(=O)Cc1nnc[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001269491531 775468684 /nfs/dbraw/zinc/46/86/84/775468684.db2.gz DQAAABKQRQJTOD-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO Cn1ccc(C[NH2+]C2(CNC(=O)CN3C(=O)CNC3=O)CC2)n1 ZINC001269530289 775469879 /nfs/dbraw/zinc/46/98/79/775469879.db2.gz DZKSGXWGONRUAT-UHFFFAOYSA-N 1 1 320.353 -1.290 20 0 DAADMO C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)Cc2nn[nH]n2)C1=O ZINC001269576976 775473114 /nfs/dbraw/zinc/47/31/14/775473114.db2.gz CPCWEDBVQJPCHY-CQSZACIVSA-N 1 1 321.385 -1.103 20 0 DAADMO NC(=O)[C@H]1COCCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269618131 775473195 /nfs/dbraw/zinc/47/31/95/775473195.db2.gz HKQORYOCFARELO-LLVKDONJSA-N 1 1 315.370 -2.377 20 0 DAADMO NC(=O)c1cnc2n1CCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269617970 775473762 /nfs/dbraw/zinc/47/37/62/775473762.db2.gz AURLTCYMWOWTSY-UHFFFAOYSA-N 1 1 311.342 -2.389 20 0 DAADMO C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)N(C)C ZINC001269796715 775477831 /nfs/dbraw/zinc/47/78/31/775477831.db2.gz JSRSHMZYTAZLKK-LBPRGKRZSA-N 1 1 312.414 -1.062 20 0 DAADMO C[C@H](O)C[NH+]1CC(N(C)C(=O)CCCN2C(=O)CNC2=O)C1 ZINC001269887052 775479296 /nfs/dbraw/zinc/47/92/96/775479296.db2.gz RZRQTNJRUDXRKO-JTQLQIEISA-N 1 1 312.370 -1.158 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O ZINC001269885454 775479452 /nfs/dbraw/zinc/47/94/52/775479452.db2.gz COOFJYDZEIRFFV-AOOOYVTPSA-N 1 1 305.338 -1.219 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O ZINC001269885454 775479458 /nfs/dbraw/zinc/47/94/58/775479458.db2.gz COOFJYDZEIRFFV-AOOOYVTPSA-N 1 1 305.338 -1.219 20 0 DAADMO CCOCCC[NH+]1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001269893245 775479572 /nfs/dbraw/zinc/47/95/72/775479572.db2.gz PKSPGMCRRSJGIX-UHFFFAOYSA-N 1 1 324.385 -1.054 20 0 DAADMO CC1(NC(=O)C(=O)NCC(F)F)CC[NH+](CC(N)=O)CC1 ZINC001270237316 775488527 /nfs/dbraw/zinc/48/85/27/775488527.db2.gz OPUYXLZLWLZBRQ-UHFFFAOYSA-N 1 1 306.313 -1.176 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H](Cc1c[nH]cn1)NC=O ZINC001270407144 775491827 /nfs/dbraw/zinc/49/18/27/775491827.db2.gz XCWWJJMHDZVECU-XQQFMLRXSA-N 1 1 307.354 -1.392 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H](Cc1c[nH]cn1)NC=O ZINC001270407144 775491830 /nfs/dbraw/zinc/49/18/30/775491830.db2.gz XCWWJJMHDZVECU-XQQFMLRXSA-N 1 1 307.354 -1.392 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149139418 775495977 /nfs/dbraw/zinc/49/59/77/775495977.db2.gz ZRAQGYIASFKHQR-ZJUUUORDSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149139418 775495983 /nfs/dbraw/zinc/49/59/83/775495983.db2.gz ZRAQGYIASFKHQR-ZJUUUORDSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149139384 775496197 /nfs/dbraw/zinc/49/61/97/775496197.db2.gz ZRAQGYIASFKHQR-NXEZZACHSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001149139384 775496203 /nfs/dbraw/zinc/49/62/03/775496203.db2.gz ZRAQGYIASFKHQR-NXEZZACHSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149139403 775496370 /nfs/dbraw/zinc/49/63/70/775496370.db2.gz ZRAQGYIASFKHQR-UWVGGRQHSA-N 1 1 313.358 -2.250 20 0 DAADMO NC(=O)NCC(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001149139403 775496375 /nfs/dbraw/zinc/49/63/75/775496375.db2.gz ZRAQGYIASFKHQR-UWVGGRQHSA-N 1 1 313.358 -2.250 20 0 DAADMO C[C@]1(NC(=O)CN2CCOCC2)CC[N@@H+](CCOCCO)C1 ZINC001270577764 775497616 /nfs/dbraw/zinc/49/76/16/775497616.db2.gz SYRUTKJZPNSXFE-HNNXBMFYSA-N 1 1 315.414 -1.092 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001270576875 775498016 /nfs/dbraw/zinc/49/80/16/775498016.db2.gz NGICXGZDNLFNJG-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001270576874 775498110 /nfs/dbraw/zinc/49/81/10/775498110.db2.gz NGICXGZDNLFNJG-GWCFXTLKSA-N 1 1 301.343 -1.316 20 0 DAADMO NC(=O)CCCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105381344 775498754 /nfs/dbraw/zinc/49/87/54/775498754.db2.gz XPGOLEUNFZDNSB-UHFFFAOYSA-N 1 1 310.358 -1.601 20 0 DAADMO COCCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619057 775498917 /nfs/dbraw/zinc/49/89/17/775498917.db2.gz AGQVDUGJSHRRFU-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO COCCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001270619057 775498922 /nfs/dbraw/zinc/49/89/22/775498922.db2.gz AGQVDUGJSHRRFU-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO Cn1c(C[N@@H+]2CC[C@@](C)(NC(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001270624673 775499456 /nfs/dbraw/zinc/49/94/56/775499456.db2.gz RSXZJCIYUNLHHN-CQSZACIVSA-N 1 1 323.353 -2.350 20 0 DAADMO Cn1c(C[N@H+]2CC[C@@](C)(NC(=O)C(N)=O)C2)cc(=O)n(C)c1=O ZINC001270624673 775499457 /nfs/dbraw/zinc/49/94/57/775499457.db2.gz RSXZJCIYUNLHHN-CQSZACIVSA-N 1 1 323.353 -2.350 20 0 DAADMO O=C1NC[C@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982546 775502088 /nfs/dbraw/zinc/50/20/88/775502088.db2.gz DTSDHNXSZUDQTE-WDEREUQCSA-N 1 1 313.354 -2.469 20 0 DAADMO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCN2C1=O ZINC001167982546 775502094 /nfs/dbraw/zinc/50/20/94/775502094.db2.gz DTSDHNXSZUDQTE-WDEREUQCSA-N 1 1 313.354 -2.469 20 0 DAADMO C[C@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167976724 775502761 /nfs/dbraw/zinc/50/27/61/775502761.db2.gz DPOYJHPRCAQUGX-SECBINFHSA-N 1 1 310.358 -1.121 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001270695746 775503641 /nfs/dbraw/zinc/50/36/41/775503641.db2.gz OWLGRWAMMLRSRO-ZDUSSCGKSA-N 1 1 321.381 -1.059 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098698665 775515567 /nfs/dbraw/zinc/51/55/67/775515567.db2.gz WNAXCKQBWKRIDU-ZYHUDNBSSA-N 1 1 324.385 -1.355 20 0 DAADMO CC(=O)N1CC[C@@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001149318141 775517317 /nfs/dbraw/zinc/51/73/17/775517317.db2.gz SYXIYPNPDWVWEU-MWLCHTKSSA-N 1 1 309.374 -1.155 20 0 DAADMO CN1C[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)OCC1=O ZINC001270908609 775518659 /nfs/dbraw/zinc/51/86/59/775518659.db2.gz WMFBXOHDZSTZSU-SWLSCSKDSA-N 1 1 310.398 -1.308 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001270908091 775518743 /nfs/dbraw/zinc/51/87/43/775518743.db2.gz QTJLPBJMMISBPJ-CJNGLKHVSA-N 1 1 324.425 -1.061 20 0 DAADMO CN1C[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)OCC1=O ZINC001270908606 775519414 /nfs/dbraw/zinc/51/94/14/775519414.db2.gz WMFBXOHDZSTZSU-DOMZBBRYSA-N 1 1 310.398 -1.308 20 0 DAADMO C[NH+]1CCN(CC(=O)N2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)CC1 ZINC001271001130 775521630 /nfs/dbraw/zinc/52/16/30/775521630.db2.gz VMTJNOYLCAVFRW-VNHYZAJKSA-N 1 1 324.425 -1.027 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270980225 775521875 /nfs/dbraw/zinc/52/18/75/775521875.db2.gz OYOJFKVVXXNLHH-LBPRGKRZSA-N 1 1 310.398 -1.451 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270980225 775521876 /nfs/dbraw/zinc/52/18/76/775521876.db2.gz OYOJFKVVXXNLHH-LBPRGKRZSA-N 1 1 310.398 -1.451 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCc3c(n[nH]c3C(N)=O)C2)CC1 ZINC001271001144 775522092 /nfs/dbraw/zinc/52/20/92/775522092.db2.gz VQZZOCYPNCGOFJ-UHFFFAOYSA-N 1 1 306.370 -1.359 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CC3(C2)CCOC[C@@H]3C(N)=O)CC1 ZINC001271000154 775522787 /nfs/dbraw/zinc/52/27/87/775522787.db2.gz IZDLFLWZQSIBBG-GFCCVEGCSA-N 1 1 310.398 -1.416 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCc3n[nH]c(C(N)=O)c3C2)CC1 ZINC001270999352 775523139 /nfs/dbraw/zinc/52/31/39/775523139.db2.gz CCTWZDHBUBDYEG-UHFFFAOYSA-N 1 1 306.370 -1.359 20 0 DAADMO CC[C@H](C(N)=O)N1CC2(CN(C(=O)C[NH+]3CCC3)C2)OCC1=O ZINC001271013165 775523230 /nfs/dbraw/zinc/52/32/30/775523230.db2.gz ZFRDCTGCNUUZQH-LLVKDONJSA-N 1 1 324.381 -1.604 20 0 DAADMO CC[N@@H+](C)CC(=O)N1C[C@@H]2COC[C@H](C1)N2CC(=O)N(C)C ZINC001271081901 775527240 /nfs/dbraw/zinc/52/72/40/775527240.db2.gz WGEGTUMTRMWBLP-BETUJISGSA-N 1 1 312.414 -1.062 20 0 DAADMO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CNS(C)(=O)=O)[C@@H]2C1 ZINC001271060967 775527479 /nfs/dbraw/zinc/52/74/79/775527479.db2.gz XWPRUTSHDFLQJH-NWDGAFQWSA-N 1 1 318.443 -1.370 20 0 DAADMO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CNS(C)(=O)=O)[C@@H]2C1 ZINC001271060967 775527491 /nfs/dbraw/zinc/52/74/91/775527491.db2.gz XWPRUTSHDFLQJH-NWDGAFQWSA-N 1 1 318.443 -1.370 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001271091495 775528592 /nfs/dbraw/zinc/52/85/92/775528592.db2.gz YMWXUGLQNKOHOO-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@]2(CC1=O)COCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001271091495 775528599 /nfs/dbraw/zinc/52/85/99/775528599.db2.gz YMWXUGLQNKOHOO-WFASDCNBSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001271091494 775529316 /nfs/dbraw/zinc/52/93/16/775529316.db2.gz YMWXUGLQNKOHOO-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001271091494 775529320 /nfs/dbraw/zinc/52/93/20/775529320.db2.gz YMWXUGLQNKOHOO-SWLSCSKDSA-N 1 1 311.382 -1.240 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001271098932 775529651 /nfs/dbraw/zinc/52/96/51/775529651.db2.gz VYHOBAUGUXRXLH-SLEUVZQESA-N 1 1 311.382 -1.241 20 0 DAADMO CN1C[C@@]2(CC1=O)COCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001271098932 775529652 /nfs/dbraw/zinc/52/96/52/775529652.db2.gz VYHOBAUGUXRXLH-SLEUVZQESA-N 1 1 311.382 -1.241 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CCOC)nn2)CC[N@@H+]1CC(N)=O ZINC001087567235 775531020 /nfs/dbraw/zinc/53/10/20/775531020.db2.gz CVNDGBVZBRFEDN-CMPLNLGQSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CCOC)nn2)CC[N@H+]1CC(N)=O ZINC001087567235 775531032 /nfs/dbraw/zinc/53/10/32/775531032.db2.gz CVNDGBVZBRFEDN-CMPLNLGQSA-N 1 1 324.385 -1.008 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087573689 775531152 /nfs/dbraw/zinc/53/11/52/775531152.db2.gz ZFKUALZEVUFFKI-NWDGAFQWSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087573689 775531160 /nfs/dbraw/zinc/53/11/60/775531160.db2.gz ZFKUALZEVUFFKI-NWDGAFQWSA-N 1 1 321.385 -1.079 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC[N@H+]1CC ZINC001087667217 775532810 /nfs/dbraw/zinc/53/28/10/775532810.db2.gz MGCMGARBLGABRN-GARJFASQSA-N 1 1 317.411 -1.111 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1C[C@@H](C)O ZINC001087631622 775532933 /nfs/dbraw/zinc/53/29/33/775532933.db2.gz LWNWETHMPSOULF-GRYCIOLGSA-N 1 1 311.386 -1.068 20 0 DAADMO CCOCCC(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001271131241 775532963 /nfs/dbraw/zinc/53/29/63/775532963.db2.gz ICHNXVJOACQLAN-ZDUSSCGKSA-N 1 1 316.358 -1.839 20 0 DAADMO CCOCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001271131241 775532968 /nfs/dbraw/zinc/53/29/68/775532968.db2.gz ICHNXVJOACQLAN-ZDUSSCGKSA-N 1 1 316.358 -1.839 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@@H+]1CC(=O)NC ZINC001087686224 775533065 /nfs/dbraw/zinc/53/30/65/775533065.db2.gz UONDTAQNFIAWRD-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CC[N@H+]1CC(=O)NC ZINC001087686224 775533077 /nfs/dbraw/zinc/53/30/77/775533077.db2.gz UONDTAQNFIAWRD-HBNTYKKESA-N 1 1 311.386 -1.275 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@@H+]1CC(N)=O ZINC001087663684 775533620 /nfs/dbraw/zinc/53/36/20/775533620.db2.gz YCOPIBBPPSYZSD-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CC[N@H+]1CC(N)=O ZINC001087663684 775533632 /nfs/dbraw/zinc/53/36/32/775533632.db2.gz YCOPIBBPPSYZSD-GXSJLCMTSA-N 1 1 307.354 -1.152 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCO ZINC001087645284 775534121 /nfs/dbraw/zinc/53/41/21/775534121.db2.gz QRUFHEHCHVBCEM-WDEREUQCSA-N 1 1 310.354 -1.090 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087709308 775535124 /nfs/dbraw/zinc/53/51/24/775535124.db2.gz QVXBQFYRVIDROW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087709308 775535133 /nfs/dbraw/zinc/53/51/33/775535133.db2.gz QVXBQFYRVIDROW-WDEREUQCSA-N 1 1 312.370 -1.700 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087709737 775535330 /nfs/dbraw/zinc/53/53/30/775535330.db2.gz NZAOZPDGGURIFP-OUAUKWLOSA-N 1 1 317.411 -1.125 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087709737 775535338 /nfs/dbraw/zinc/53/53/38/775535338.db2.gz NZAOZPDGGURIFP-OUAUKWLOSA-N 1 1 317.411 -1.125 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@](O)(CNC(=O)CC(N)=O)C2)C1=O ZINC001271132606 775535533 /nfs/dbraw/zinc/53/55/33/775535533.db2.gz RGHMOHZQFHFLFP-YGRLFVJLSA-N 1 1 312.370 -1.964 20 0 DAADMO CCN1CC[C@@H]([N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)C1=O ZINC001271132604 775535657 /nfs/dbraw/zinc/53/56/57/775535657.db2.gz RGHMOHZQFHFLFP-QMTHXVAHSA-N 1 1 312.370 -1.964 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC[N@H+]1CCCO ZINC001087744186 775536730 /nfs/dbraw/zinc/53/67/30/775536730.db2.gz FCUHBVNJEONNPU-GARJFASQSA-N 1 1 312.370 -1.064 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC001087765138 775537751 /nfs/dbraw/zinc/53/77/51/775537751.db2.gz BRMLUWHURVSQFU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC001087765138 775537760 /nfs/dbraw/zinc/53/77/60/775537760.db2.gz BRMLUWHURVSQFU-DTWKUNHWSA-N 1 1 311.342 -2.007 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)[C@]12C[C@H]1COC2 ZINC001271151389 775539625 /nfs/dbraw/zinc/53/96/25/775539625.db2.gz CQZUMBTYVUKBIG-CFVMTHIKSA-N 1 1 314.382 -1.415 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)[C@]12C[C@H]1COC2 ZINC001271151390 775539846 /nfs/dbraw/zinc/53/98/46/775539846.db2.gz CQZUMBTYVUKBIG-QEJZJMRPSA-N 1 1 314.382 -1.415 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[N@H+]1C[C@@H](C)O ZINC001087821954 775541389 /nfs/dbraw/zinc/54/13/89/775541389.db2.gz OBZPGOSVBASEFH-OUAUKWLOSA-N 1 1 312.370 -1.112 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[N@H+]1CCO ZINC001087815492 775541698 /nfs/dbraw/zinc/54/16/98/775541698.db2.gz NZFQKOHOQUFUAC-NWDGAFQWSA-N 1 1 311.386 -1.148 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@@H+]1CC(N)=O ZINC001087832876 775541782 /nfs/dbraw/zinc/54/17/82/775541782.db2.gz BNSLYJYDTIRKNQ-IVZWLZJFSA-N 1 1 318.399 -1.868 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC[N@H+]1CC(N)=O ZINC001087832876 775541790 /nfs/dbraw/zinc/54/17/90/775541790.db2.gz BNSLYJYDTIRKNQ-IVZWLZJFSA-N 1 1 318.399 -1.868 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]2C1 ZINC001087854392 775542997 /nfs/dbraw/zinc/54/29/97/775542997.db2.gz FUFBWRUKFLFRAG-OLZOCXBDSA-N 1 1 308.382 -1.255 20 0 DAADMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]2C1 ZINC001087854392 775543005 /nfs/dbraw/zinc/54/30/05/775543005.db2.gz FUFBWRUKFLFRAG-OLZOCXBDSA-N 1 1 308.382 -1.255 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1C[C@H](C)O ZINC001087840673 775543056 /nfs/dbraw/zinc/54/30/56/775543056.db2.gz IRZYAVRIRPWORW-JBLDHEPKSA-N 1 1 324.385 -1.273 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1CC(N)=O ZINC001087850457 775543276 /nfs/dbraw/zinc/54/32/76/775543276.db2.gz GGGKJKJUKSIMSE-LPEHRKFASA-N 1 1 310.354 -1.506 20 0 DAADMO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@H+]1CC(N)=O ZINC001087850457 775543282 /nfs/dbraw/zinc/54/32/82/775543282.db2.gz GGGKJKJUKSIMSE-LPEHRKFASA-N 1 1 310.354 -1.506 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 ZINC001271160562 775544303 /nfs/dbraw/zinc/54/43/03/775544303.db2.gz VMVGGKKWPZKKMR-OAHLLOKOSA-N 1 1 320.349 -1.337 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2)C1 ZINC001271160562 775544306 /nfs/dbraw/zinc/54/43/06/775544306.db2.gz VMVGGKKWPZKKMR-OAHLLOKOSA-N 1 1 320.349 -1.337 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878960 775544487 /nfs/dbraw/zinc/54/44/87/775544487.db2.gz WELCUGJZOCERJO-NEPJUHHUSA-N 1 1 321.385 -1.458 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC(F)F)C1 ZINC001271160848 775544791 /nfs/dbraw/zinc/54/47/91/775544791.db2.gz YYAMZBHWLWAGOL-UFBFGSQYSA-N 1 1 309.313 -1.699 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878568 775545121 /nfs/dbraw/zinc/54/51/21/775545121.db2.gz DGFACSYRGSKFNT-AXFHLTTASA-N 1 1 307.358 -1.673 20 0 DAADMO CO[C@H](C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001098710682 775546360 /nfs/dbraw/zinc/54/63/60/775546360.db2.gz JJCKXPXRWTXYAK-KOLCDFICSA-N 1 1 310.358 -1.339 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCCN3C)C[C@@H]2C1 ZINC001087940295 775546653 /nfs/dbraw/zinc/54/66/53/775546653.db2.gz DCKOIXJGLLYECL-RDBSUJKOSA-N 1 1 324.425 -1.157 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]2C1 ZINC001087919984 775547404 /nfs/dbraw/zinc/54/74/04/775547404.db2.gz AANUBYMQYDXVBK-RDBSUJKOSA-N 1 1 324.425 -1.157 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C1 ZINC001087967777 775547511 /nfs/dbraw/zinc/54/75/11/775547511.db2.gz LKKNGGCMBNHXJJ-AXFHLTTASA-N 1 1 307.358 -1.673 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087940821 775547745 /nfs/dbraw/zinc/54/77/45/775547745.db2.gz XSSXEMUHWDKWIC-FRRDWIJNSA-N 1 1 310.398 -1.417 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@@H]2C1 ZINC001087952261 775548014 /nfs/dbraw/zinc/54/80/14/775548014.db2.gz BSSSLCKFWKSJCR-GRYCIOLGSA-N 1 1 324.381 -1.037 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)C[C@@H]2C1 ZINC001087941789 775548081 /nfs/dbraw/zinc/54/80/81/775548081.db2.gz VFGJTPIGRMHZRZ-MXWKQRLJSA-N 1 1 322.369 -1.362 20 0 DAADMO NC(=O)c1ncn(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)n1 ZINC001087971994 775549287 /nfs/dbraw/zinc/54/92/87/775549287.db2.gz DUQKRKLLIRSAHC-MNOVXSKESA-N 1 1 322.369 -1.850 20 0 DAADMO O=C(Cn1nccn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087980803 775549354 /nfs/dbraw/zinc/54/93/54/775549354.db2.gz UGWFMWQIWNJWSE-FRRDWIJNSA-N 1 1 318.381 -1.053 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 ZINC001088019298 775550471 /nfs/dbraw/zinc/55/04/71/775550471.db2.gz GKYFXRCYVQGEKH-XQQFMLRXSA-N 1 1 323.397 -1.257 20 0 DAADMO O=C(CN1CCOCC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087995274 775551565 /nfs/dbraw/zinc/55/15/65/775551565.db2.gz CQPSGARGNVKSSQ-OLZOCXBDSA-N 1 1 311.382 -1.382 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087997356 775552205 /nfs/dbraw/zinc/55/22/05/775552205.db2.gz AFYWJLKFKJBNBM-VWYCJHECSA-N 1 1 310.354 -1.643 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)ncc1=O ZINC001088047010 775552956 /nfs/dbraw/zinc/55/29/56/775552956.db2.gz AAGZAHOCGLLTHQ-MNOVXSKESA-N 1 1 319.365 -1.341 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 ZINC001088065002 775553131 /nfs/dbraw/zinc/55/31/31/775553131.db2.gz DTCRMZSDEUXEOU-MCIONIFRSA-N 1 1 324.425 -1.421 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183952 775553598 /nfs/dbraw/zinc/55/35/98/775553598.db2.gz HEWPIIWWEAUVIO-CYBMUJFWSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271183952 775553604 /nfs/dbraw/zinc/55/36/04/775553604.db2.gz HEWPIIWWEAUVIO-CYBMUJFWSA-N 1 1 312.370 -2.107 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@@H]2C1 ZINC001088065237 775554263 /nfs/dbraw/zinc/55/42/63/775554263.db2.gz NDGREFLGEPIWLU-WOPDTQHZSA-N 1 1 308.382 -1.351 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271184159 775554915 /nfs/dbraw/zinc/55/49/15/775554915.db2.gz ICIPYOKMORNHGA-AWEZNQCLSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001271184159 775554920 /nfs/dbraw/zinc/55/49/20/775554920.db2.gz ICIPYOKMORNHGA-AWEZNQCLSA-N 1 1 312.370 -2.107 20 0 DAADMO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001271184847 775555385 /nfs/dbraw/zinc/55/53/85/775555385.db2.gz OLOINFXWJQAAKK-GWCFXTLKSA-N 1 1 300.359 -1.743 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271184652 775555482 /nfs/dbraw/zinc/55/54/82/775555482.db2.gz NDXWHGKNJJQOCN-AWEZNQCLSA-N 1 1 321.381 -1.261 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001271184652 775555490 /nfs/dbraw/zinc/55/54/90/775555490.db2.gz NDXWHGKNJJQOCN-AWEZNQCLSA-N 1 1 321.381 -1.261 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001271200655 775555705 /nfs/dbraw/zinc/55/57/05/775555705.db2.gz IGTXMDHUXTZMLM-SWLSCSKDSA-N 1 1 313.398 -1.210 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271184160 775556039 /nfs/dbraw/zinc/55/60/39/775556039.db2.gz ICIPYOKMORNHGA-CQSZACIVSA-N 1 1 312.370 -2.107 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001271184160 775556049 /nfs/dbraw/zinc/55/60/49/775556049.db2.gz ICIPYOKMORNHGA-CQSZACIVSA-N 1 1 312.370 -2.107 20 0 DAADMO NC(=O)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCOCCO)C2)CC1 ZINC001271184973 775556153 /nfs/dbraw/zinc/55/61/53/775556153.db2.gz PSLFMVHJXMNIFQ-CYBMUJFWSA-N 1 1 315.370 -2.186 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001271201360 775557110 /nfs/dbraw/zinc/55/71/10/775557110.db2.gz QGEHLMYTBUUGNH-CQSZACIVSA-N 1 1 313.354 -2.025 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001271218468 775557852 /nfs/dbraw/zinc/55/78/52/775557852.db2.gz AEUGYOCIPDYINV-NOZJJQNGSA-N 1 1 316.333 -1.503 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001271218468 775557858 /nfs/dbraw/zinc/55/78/58/775557858.db2.gz AEUGYOCIPDYINV-NOZJJQNGSA-N 1 1 316.333 -1.503 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001271229826 775558786 /nfs/dbraw/zinc/55/87/86/775558786.db2.gz XNVVPOIJFPAUFM-RISCZKNCSA-N 1 1 301.387 -1.321 20 0 DAADMO CC(C)C[C@H](C(N)=O)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001271229824 775558817 /nfs/dbraw/zinc/55/88/17/775558817.db2.gz XNVVPOIJFPAUFM-BXUZGUMPSA-N 1 1 301.387 -1.321 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H](C1)O2 ZINC001271223142 775558866 /nfs/dbraw/zinc/55/88/66/775558866.db2.gz NNGHOKDFMUSVTC-MCIONIFRSA-N 1 1 324.425 -1.062 20 0 DAADMO CN(C)S(=O)(=O)N1CC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001271223047 775559071 /nfs/dbraw/zinc/55/90/71/775559071.db2.gz LPEGDMCZFPTQRR-NSHDSACASA-N 1 1 316.427 -1.111 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001271229851 775559708 /nfs/dbraw/zinc/55/97/08/775559708.db2.gz YAPCNEDIWVLMKS-HZMBPMFUSA-N 1 1 313.354 -2.025 20 0 DAADMO CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001271229825 775559822 /nfs/dbraw/zinc/55/98/22/775559822.db2.gz XNVVPOIJFPAUFM-FZMZJTMJSA-N 1 1 301.387 -1.321 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001271281929 775564865 /nfs/dbraw/zinc/56/48/65/775564865.db2.gz MLXTVOMWHRHJCD-SNVBAGLBSA-N 1 1 302.375 -1.367 20 0 DAADMO COCCOCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273509 775566412 /nfs/dbraw/zinc/56/64/12/775566412.db2.gz ONOJCCZMLSVQKZ-STQMWFEESA-N 1 1 313.398 -1.184 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001088078016 775567945 /nfs/dbraw/zinc/56/79/45/775567945.db2.gz FAMNAVRGGIQEJQ-GRYCIOLGSA-N 1 1 308.382 -1.127 20 0 DAADMO O=C(NCC1(O)C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CCNC1=O ZINC001271335006 775568988 /nfs/dbraw/zinc/56/89/88/775568988.db2.gz DWRLMYMQXMAJHV-RYUDHWBXSA-N 1 1 311.382 -1.288 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]2C1 ZINC001088083812 775570822 /nfs/dbraw/zinc/57/08/22/775570822.db2.gz KZBWANBTFSUMDE-ZJUUUORDSA-N 1 1 305.338 -1.351 20 0 DAADMO O=C(NCC1CC1)C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001271376110 775572995 /nfs/dbraw/zinc/57/29/95/775572995.db2.gz ZKSYMQWUIOGNNO-LBPRGKRZSA-N 1 1 311.382 -1.288 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088088717 775573648 /nfs/dbraw/zinc/57/36/48/775573648.db2.gz ITGAYPPGIKHUDD-KXUCPTDWSA-N 1 1 308.338 -1.943 20 0 DAADMO CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1)C1CC1 ZINC001088086997 775574746 /nfs/dbraw/zinc/57/47/46/775574746.db2.gz FDZSYLWQPYVVLA-MNOVXSKESA-N 1 1 308.382 -1.127 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC1(O)C[NH+](CCCOC)C1 ZINC001271393639 775575271 /nfs/dbraw/zinc/57/52/71/775575271.db2.gz OVDPWOOCAPSKPU-UHFFFAOYSA-N 1 1 309.388 -2.265 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]2C1 ZINC001088109215 775576339 /nfs/dbraw/zinc/57/63/39/775576339.db2.gz RDTNKHQFWOFLNJ-ZJUUUORDSA-N 1 1 319.365 -1.007 20 0 DAADMO C[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CCNC1=O ZINC001088104769 775576382 /nfs/dbraw/zinc/57/63/82/775576382.db2.gz ZAJRRBPOISRQRA-ZETOZRRWSA-N 1 1 308.382 -1.222 20 0 DAADMO O=C(C1CC(=O)NC(=O)C1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088139708 775577424 /nfs/dbraw/zinc/57/74/24/775577424.db2.gz AFACVGDZWNZZCV-PWSUYJOCSA-N 1 1 309.366 -1.188 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1=O ZINC001088168963 775580797 /nfs/dbraw/zinc/58/07/97/775580797.db2.gz AXSZWRKQDJYORA-NEPJUHHUSA-N 1 1 324.381 -1.347 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC(=O)NC3=O)C[C@@H]2C1 ZINC001088223250 775582165 /nfs/dbraw/zinc/58/21/65/775582165.db2.gz STXNXRKAVDVSIP-VWYCJHECSA-N 1 1 322.365 -1.695 20 0 DAADMO Cn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)n(C)c1=O ZINC001088215166 775582522 /nfs/dbraw/zinc/58/25/22/775582522.db2.gz VKDWAZALMHOYFD-MNOVXSKESA-N 1 1 321.381 -1.397 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088194452 775582570 /nfs/dbraw/zinc/58/25/70/775582570.db2.gz FTGKMIORDGEHSA-WOPDTQHZSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088194348 775582805 /nfs/dbraw/zinc/58/28/05/775582805.db2.gz ZOJQAYCZUFBGKR-MNOVXSKESA-N 1 1 310.354 -1.689 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088193981 775582850 /nfs/dbraw/zinc/58/28/50/775582850.db2.gz GSQJMGOPTJKXJZ-NEPJUHHUSA-N 1 1 324.381 -1.299 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001088193840 775583014 /nfs/dbraw/zinc/58/30/14/775583014.db2.gz YXRCPFHRPFQVEP-UTUOFQBUSA-N 1 1 324.381 -1.301 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nc(N)n[nH]1)C2 ZINC001271501673 775583934 /nfs/dbraw/zinc/58/39/34/775583934.db2.gz YETBUMSJZFYJJV-ZJUUUORDSA-N 1 1 321.385 -1.450 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1nc(N)n[nH]1)C2 ZINC001271501673 775583943 /nfs/dbraw/zinc/58/39/43/775583943.db2.gz YETBUMSJZFYJJV-ZJUUUORDSA-N 1 1 321.385 -1.450 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1=NNC(=O)CC1)C2 ZINC001271505326 775585144 /nfs/dbraw/zinc/58/51/44/775585144.db2.gz PLECNAPVIDUVJW-MNOVXSKESA-N 1 1 321.381 -1.127 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1=NNC(=O)CC1)C2 ZINC001271505326 775585153 /nfs/dbraw/zinc/58/51/53/775585153.db2.gz PLECNAPVIDUVJW-MNOVXSKESA-N 1 1 321.381 -1.127 20 0 DAADMO CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001271529985 775586147 /nfs/dbraw/zinc/58/61/47/775586147.db2.gz JZGKLNCNGZPKSR-TXEJJXNPSA-N 1 1 310.398 -1.009 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001271544600 775588181 /nfs/dbraw/zinc/58/81/81/775588181.db2.gz YKIYYLFNVFQFOC-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC001271544600 775588184 /nfs/dbraw/zinc/58/81/84/775588184.db2.gz YKIYYLFNVFQFOC-TUAOUCFPSA-N 1 1 317.411 -1.048 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001280409466 775589161 /nfs/dbraw/zinc/58/91/61/775589161.db2.gz XJBXTOCCCWMMJZ-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001280409466 775589167 /nfs/dbraw/zinc/58/91/67/775589167.db2.gz XJBXTOCCCWMMJZ-QWRGUYRKSA-N 1 1 310.354 -1.189 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC001271689774 775591751 /nfs/dbraw/zinc/59/17/51/775591751.db2.gz ILDZIUHZVYYJGU-NSHDSACASA-N 1 1 323.397 -1.368 20 0 DAADMO CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211900854 775595667 /nfs/dbraw/zinc/59/56/67/775595667.db2.gz FWXGVOMOBJIPKT-CHWSQXEVSA-N 1 1 324.385 -1.428 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211900854 775595675 /nfs/dbraw/zinc/59/56/75/775595675.db2.gz FWXGVOMOBJIPKT-CHWSQXEVSA-N 1 1 324.385 -1.428 20 0 DAADMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C(=O)NCC(F)F)C[C@H]2C1 ZINC001271867476 775600958 /nfs/dbraw/zinc/60/09/58/775600958.db2.gz UIDKJHHTSHUDDV-OCAPTIKFSA-N 1 1 304.297 -1.757 20 0 DAADMO C[C@@H](C[N@@H+]1C[C@H]2CN(C(=O)C(N)=O)C[C@H]2C1)CS(C)(=O)=O ZINC001271873630 775601577 /nfs/dbraw/zinc/60/15/77/775601577.db2.gz KMBZSTPYYKWMIT-GARJFASQSA-N 1 1 317.411 -1.457 20 0 DAADMO NC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001271891528 775602907 /nfs/dbraw/zinc/60/29/07/775602907.db2.gz LJAZQGZCIAIEIJ-TXEJJXNPSA-N 1 1 314.386 -1.556 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001271945077 775603641 /nfs/dbraw/zinc/60/36/41/775603641.db2.gz HVEPLVZUGCJKNC-LLVKDONJSA-N 1 1 308.382 -1.255 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCNC1=O ZINC001271945853 775604176 /nfs/dbraw/zinc/60/41/76/775604176.db2.gz MMBWTGOAUZEQAU-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCNC1=O ZINC001271945853 775604183 /nfs/dbraw/zinc/60/41/83/775604183.db2.gz MMBWTGOAUZEQAU-WOPDTQHZSA-N 1 1 308.382 -1.114 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@H]2CCNC2=O)C[C@@]2(CCCC(=O)N2)C1 ZINC001271946188 775605802 /nfs/dbraw/zinc/60/58/02/775605802.db2.gz PNOWULNMLSGURC-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001271948690 775606009 /nfs/dbraw/zinc/60/60/09/775606009.db2.gz DESOEQLQDKCBAS-GXFFZTMASA-N 1 1 303.359 -2.188 20 0 DAADMO CCNC(=O)CC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001271998192 775609949 /nfs/dbraw/zinc/60/99/49/775609949.db2.gz MMNAKYNRDYYBDW-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO CCNC(=O)CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001271998192 775609951 /nfs/dbraw/zinc/60/99/51/775609951.db2.gz MMNAKYNRDYYBDW-SECBINFHSA-N 1 1 315.374 -1.514 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCN1CCCC1=O ZINC001088461222 775611547 /nfs/dbraw/zinc/61/15/47/775611547.db2.gz XHAHRJZORAEBPK-NEPJUHHUSA-N 1 1 321.385 -1.126 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088461346 775611837 /nfs/dbraw/zinc/61/18/37/775611837.db2.gz CRPNEFSTTKGELV-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088461346 775611846 /nfs/dbraw/zinc/61/18/46/775611846.db2.gz CRPNEFSTTKGELV-KOLCDFICSA-N 1 1 307.358 -1.469 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1CCN1CCNC1=O ZINC001088460829 775612203 /nfs/dbraw/zinc/61/22/03/775612203.db2.gz GQMPWIJHOJNWMN-MNOVXSKESA-N 1 1 322.373 -1.723 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)CCNC(N)=O)C[C@]2(C)C1 ZINC001101457665 775612470 /nfs/dbraw/zinc/61/24/70/775612470.db2.gz NLUHTIZBKJLXQZ-RULNRJAQSA-N 1 1 311.386 -1.301 20 0 DAADMO CNS(=O)(=O)CC(=O)N1C[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@]2(C)C1 ZINC001101465603 775613254 /nfs/dbraw/zinc/61/32/54/775613254.db2.gz PVYDICNMKKLATK-WZRBSPASSA-N 1 1 319.427 -1.303 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@@H+]1CC(=O)N(C)C ZINC001088532040 775615742 /nfs/dbraw/zinc/61/57/42/775615742.db2.gz YNAPLGFDTVWLMW-AGIUHOORSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CC[N@H+]1CC(=O)N(C)C ZINC001088532040 775615746 /nfs/dbraw/zinc/61/57/46/775615746.db2.gz YNAPLGFDTVWLMW-AGIUHOORSA-N 1 1 312.414 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088532594 775616149 /nfs/dbraw/zinc/61/61/49/775616149.db2.gz XYSHLRPTSSDANL-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CC[N@H+]1CC(=O)N1CCC1 ZINC001088532594 775616153 /nfs/dbraw/zinc/61/61/53/775616153.db2.gz XYSHLRPTSSDANL-MNOVXSKESA-N 1 1 322.369 -1.205 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001272059218 775620920 /nfs/dbraw/zinc/62/09/20/775620920.db2.gz IUCKBEMYHUUHBN-NEPJUHHUSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001272059218 775620925 /nfs/dbraw/zinc/62/09/25/775620925.db2.gz IUCKBEMYHUUHBN-NEPJUHHUSA-N 1 1 307.354 -1.028 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059570 775622344 /nfs/dbraw/zinc/62/23/44/775622344.db2.gz MVXRLISXEGMVJD-QWHCGFSZSA-N 1 1 323.393 -1.072 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NCC3COC3)C2)C1 ZINC001272059570 775622356 /nfs/dbraw/zinc/62/23/56/775622356.db2.gz MVXRLISXEGMVJD-QWHCGFSZSA-N 1 1 323.393 -1.072 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cnsn1 ZINC001211918044 775622514 /nfs/dbraw/zinc/62/25/14/775622514.db2.gz TXNXMGMNICRLSY-GHMZBOCLSA-N 1 1 316.383 -1.024 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cnsn1 ZINC001211918044 775622524 /nfs/dbraw/zinc/62/25/24/775622524.db2.gz TXNXMGMNICRLSY-GHMZBOCLSA-N 1 1 316.383 -1.024 20 0 DAADMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C(N)=O)C[C@]2(CCCC(=O)N2)C1 ZINC001272064850 775622603 /nfs/dbraw/zinc/62/26/03/775622603.db2.gz JYXAUIHAJMZDNV-HFAKWTLXSA-N 1 1 308.382 -1.079 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)C1 ZINC001272059950 775622869 /nfs/dbraw/zinc/62/28/69/775622869.db2.gz QJMWLXMNOIJNNM-NEPJUHHUSA-N 1 1 307.354 -1.200 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2Cc3ccnn3CC[C@@H]2C(N)=O)C1 ZINC001272059950 775622873 /nfs/dbraw/zinc/62/28/73/775622873.db2.gz QJMWLXMNOIJNNM-NEPJUHHUSA-N 1 1 307.354 -1.200 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(N)=O)[C@@H]2C1 ZINC001272065271 775622989 /nfs/dbraw/zinc/62/29/89/775622989.db2.gz NVQYJMHYFZLFLB-FIQHERPVSA-N 1 1 308.382 -1.271 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(N)=O)[C@@H]2C1 ZINC001272065271 775622991 /nfs/dbraw/zinc/62/29/91/775622991.db2.gz NVQYJMHYFZLFLB-FIQHERPVSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)CCCS(C)(=O)=O ZINC001168211847 775624254 /nfs/dbraw/zinc/62/42/54/775624254.db2.gz OUJFLCVSNKBPIC-UHFFFAOYSA-N 1 1 318.403 -1.369 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001211939393 775627143 /nfs/dbraw/zinc/62/71/43/775627143.db2.gz SLXROAWSWRMAAZ-GHMZBOCLSA-N 1 1 319.358 -1.833 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[N@H+]1CCCO ZINC001088579168 775627313 /nfs/dbraw/zinc/62/73/13/775627313.db2.gz RTYSANCVMVMGSZ-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088579050 775627684 /nfs/dbraw/zinc/62/76/84/775627684.db2.gz KUIGGJBVQJZIKL-ZJUUUORDSA-N 1 1 310.358 -1.398 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088579237 775627696 /nfs/dbraw/zinc/62/76/96/775627696.db2.gz VSIFXXDARRFPMK-MXWKQRLJSA-N 1 1 324.385 -1.009 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001088578958 775627915 /nfs/dbraw/zinc/62/79/15/775627915.db2.gz GJAAFVONPAFSMT-AEJSXWLSSA-N 1 1 310.358 -1.663 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CCO ZINC001088606441 775630834 /nfs/dbraw/zinc/63/08/34/775630834.db2.gz SSBHOMCFRDTNEZ-MNOVXSKESA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@@H+]1CC(N)=O ZINC001088606115 775631119 /nfs/dbraw/zinc/63/11/19/775631119.db2.gz AJKXOQHBAGHDMM-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[N@H+]1CC(N)=O ZINC001088606115 775631123 /nfs/dbraw/zinc/63/11/23/775631123.db2.gz AJKXOQHBAGHDMM-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212026162 775632189 /nfs/dbraw/zinc/63/21/89/775632189.db2.gz DDDXZOUBYFOMRK-HZSPNIEDSA-N 1 1 315.414 -1.095 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212071236 775633618 /nfs/dbraw/zinc/63/36/18/775633618.db2.gz KJIIATVHYDPMOJ-GHMZBOCLSA-N 1 1 303.359 -1.660 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1OC ZINC001212043657 775634098 /nfs/dbraw/zinc/63/40/98/775634098.db2.gz PODLTXMALZAFFT-IJLUTSLNSA-N 1 1 317.386 -1.665 20 0 DAADMO CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212063611 775634279 /nfs/dbraw/zinc/63/42/79/775634279.db2.gz AUSVSNLJNJKOLS-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC(N)=O ZINC001212063611 775634286 /nfs/dbraw/zinc/63/42/86/775634286.db2.gz AUSVSNLJNJKOLS-GHMZBOCLSA-N 1 1 312.370 -1.700 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212051466 775634349 /nfs/dbraw/zinc/63/43/49/775634349.db2.gz ZRPJUDNAXNHIHQ-CHWSQXEVSA-N 1 1 320.386 -1.526 20 0 DAADMO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C2)C1=O ZINC001212073499 775635242 /nfs/dbraw/zinc/63/52/42/775635242.db2.gz CJGNLZWUORIPAU-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C2)C1=O ZINC001212073499 775635252 /nfs/dbraw/zinc/63/52/52/775635252.db2.gz CJGNLZWUORIPAU-OUAUKWLOSA-N 1 1 312.370 -1.702 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001272117486 775637872 /nfs/dbraw/zinc/63/78/72/775637872.db2.gz XJONINLNTBAOBG-JTQLQIEISA-N 1 1 314.346 -2.464 20 0 DAADMO Cn1nnnc1C[NH2+]CCN(CCO)C(=O)Cc1cccnc1 ZINC001272143039 775639476 /nfs/dbraw/zinc/63/94/76/775639476.db2.gz RXJPTJHHPNHHLA-UHFFFAOYSA-N 1 1 319.369 -1.242 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(CCO)CC[NH2+]Cc1cnns1 ZINC001272149828 775639505 /nfs/dbraw/zinc/63/95/05/775639505.db2.gz DHTBJYQHRIMFCY-QMMMGPOBSA-N 1 1 316.387 -1.495 20 0 DAADMO CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC(=O)N1)CC2 ZINC001272157408 775641402 /nfs/dbraw/zinc/64/14/02/775641402.db2.gz PZIQNPWKBFYTHE-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO Cc1nc(C[NH2+]CCN(CCO)C(=O)Cn2ncnn2)c(C)o1 ZINC001272167883 775644081 /nfs/dbraw/zinc/64/40/81/775644081.db2.gz CLCQSZHOVBVIEO-UHFFFAOYSA-N 1 1 323.357 -1.111 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001272184589 775644223 /nfs/dbraw/zinc/64/42/23/775644223.db2.gz ASNWXCQMKUXMOA-QWRGUYRKSA-N 1 1 315.370 -1.563 20 0 DAADMO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001272184590 775644338 /nfs/dbraw/zinc/64/43/38/775644338.db2.gz ASNWXCQMKUXMOA-WDEREUQCSA-N 1 1 315.370 -1.563 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001272184587 775644487 /nfs/dbraw/zinc/64/44/87/775644487.db2.gz ASNWXCQMKUXMOA-MNOVXSKESA-N 1 1 315.370 -1.563 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001088682214 775645234 /nfs/dbraw/zinc/64/52/34/775645234.db2.gz PIJOSUJMTJHICZ-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001088682214 775645244 /nfs/dbraw/zinc/64/52/44/775645244.db2.gz PIJOSUJMTJHICZ-ZJUUUORDSA-N 1 1 310.358 -2.093 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001088633032 775646614 /nfs/dbraw/zinc/64/66/14/775646614.db2.gz OLHVKWNWALSBMM-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001088633032 775646623 /nfs/dbraw/zinc/64/66/23/775646623.db2.gz OLHVKWNWALSBMM-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CCOCC[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149137749 775648192 /nfs/dbraw/zinc/64/81/92/775648192.db2.gz QYJHCMCZGVZYPM-NSHDSACASA-N 1 1 302.375 -1.102 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)[C@H](OC)C1 ZINC001212117163 775652126 /nfs/dbraw/zinc/65/21/26/775652126.db2.gz OPTNATDGKGCGJO-DMDPSCGWSA-N 1 1 312.370 -1.144 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001212116519 775652224 /nfs/dbraw/zinc/65/22/24/775652224.db2.gz AIMLZXMSTDFULT-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001212116519 775652231 /nfs/dbraw/zinc/65/22/31/775652231.db2.gz AIMLZXMSTDFULT-DGCLKSJQSA-N 1 1 312.370 -1.142 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@@H+]1CC(N)=O ZINC001088721199 775653764 /nfs/dbraw/zinc/65/37/64/775653764.db2.gz FVOVWQXADWEYLX-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)CC[N@H+]1CC(N)=O ZINC001088721199 775653773 /nfs/dbraw/zinc/65/37/73/775653773.db2.gz FVOVWQXADWEYLX-MXWKQRLJSA-N 1 1 311.386 -1.159 20 0 DAADMO C[C@@H]1CO[C@@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)C1 ZINC001272213331 775654177 /nfs/dbraw/zinc/65/41/77/775654177.db2.gz JKAVLKOITUFVLD-WDEREUQCSA-N 1 1 312.374 -1.454 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088714425 775654210 /nfs/dbraw/zinc/65/42/10/775654210.db2.gz HNNCHRWPGYXOGQ-MXWKQRLJSA-N 1 1 310.354 -1.091 20 0 DAADMO Cc1nc([C@@H](C)NCCN(CCO)C(=O)[C@H]2CCNC2=O)n[nH]1 ZINC001272224278 775654793 /nfs/dbraw/zinc/65/47/93/775654793.db2.gz BZWIHYIFADQLJF-KOLCDFICSA-N 1 1 324.385 -1.279 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]2CCNC2=O)[nH]1 ZINC001272224278 775654799 /nfs/dbraw/zinc/65/47/99/775654799.db2.gz BZWIHYIFADQLJF-KOLCDFICSA-N 1 1 324.385 -1.279 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102492107 775656419 /nfs/dbraw/zinc/65/64/19/775656419.db2.gz YEWNLIALFSFTDP-VXGBXAGGSA-N 1 1 321.443 -1.056 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001272234672 775660414 /nfs/dbraw/zinc/66/04/14/775660414.db2.gz HTPPUSWBRXNITR-PJXYFTJBSA-N 1 1 309.370 -1.382 20 0 DAADMO Cn1ncnc1C[NH2+]CCN(CCO)C(=O)Cc1cnoc1 ZINC001272236141 775660965 /nfs/dbraw/zinc/66/09/65/775660965.db2.gz URHPXDUFNVJUPZ-UHFFFAOYSA-N 1 1 308.342 -1.044 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@@H+]1CC(N)=O ZINC001088820112 775661396 /nfs/dbraw/zinc/66/13/96/775661396.db2.gz IKGXXZMCCWOPKW-VWYCJHECSA-N 1 1 320.397 -1.016 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@H+]1CC(N)=O ZINC001088820112 775661405 /nfs/dbraw/zinc/66/14/05/775661405.db2.gz IKGXXZMCCWOPKW-VWYCJHECSA-N 1 1 320.397 -1.016 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126912079 775662470 /nfs/dbraw/zinc/66/24/70/775662470.db2.gz BTGGRINXSJZNRK-UHFFFAOYSA-N 1 1 312.374 -1.486 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCN(CCO)C(=O)C2(C(N)=O)CC2)[nH]1 ZINC001272243727 775662728 /nfs/dbraw/zinc/66/27/28/775662728.db2.gz VUUOVZDOQDSYJX-SECBINFHSA-N 1 1 324.385 -1.150 20 0 DAADMO CC(C)(C)n1cc(C[NH2+]CCN(CCO)C(=O)C(N)=O)nn1 ZINC001272243919 775663384 /nfs/dbraw/zinc/66/33/84/775663384.db2.gz XZVZWSYTQTWUCW-UHFFFAOYSA-N 1 1 312.374 -1.571 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)[C@]1(C)CCC(=O)N1 ZINC001272252490 775664285 /nfs/dbraw/zinc/66/42/85/775664285.db2.gz SJXHHZXJKQEBGJ-AWEZNQCLSA-N 1 1 324.385 -1.606 20 0 DAADMO COCCOC[C@H](O)C[NH2+]CCNC(=O)Cc1n[nH]c(C)n1 ZINC001126921059 775664999 /nfs/dbraw/zinc/66/49/99/775664999.db2.gz GSZKULCCHNIANC-LLVKDONJSA-N 1 1 315.374 -1.615 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@@H+]1CCN1CCCS1(=O)=O ZINC001088831707 775665425 /nfs/dbraw/zinc/66/54/25/775665425.db2.gz ZYCUIUAFKYNXFN-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C(N)=O)CC[N@H+]1CCN1CCCS1(=O)=O ZINC001088831707 775665429 /nfs/dbraw/zinc/66/54/29/775665429.db2.gz ZYCUIUAFKYNXFN-ZJUUUORDSA-N 1 1 318.399 -1.914 20 0 DAADMO Cc1nc(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)n[nH]1 ZINC001126921003 775665618 /nfs/dbraw/zinc/66/56/18/775665618.db2.gz DNRUBRMAQOSBOO-UHFFFAOYSA-N 1 1 323.357 -1.697 20 0 DAADMO Cn1cc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCO)nn3)C2)nn1 ZINC001098667230 775666576 /nfs/dbraw/zinc/66/65/76/775666576.db2.gz UVALWPCIEBAALD-NSHDSACASA-N 1 1 320.357 -1.424 20 0 DAADMO Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@]2(C)CCNC2=O)nn1 ZINC001272258497 775666977 /nfs/dbraw/zinc/66/69/77/775666977.db2.gz NCCIQOMMAZEDIO-CQSZACIVSA-N 1 1 324.385 -1.748 20 0 DAADMO C[C@]12CN(C(=O)[C@@H]3CCOC3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101150933 775667776 /nfs/dbraw/zinc/66/77/76/775667776.db2.gz RMQYZRYZXQBICP-HFAKWTLXSA-N 1 1 324.381 -1.002 20 0 DAADMO Cn1cnnc1C[NH2+]CCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001272265568 775669875 /nfs/dbraw/zinc/66/98/75/775669875.db2.gz RMSKDDLWWDZMBO-UHFFFAOYSA-N 1 1 307.358 -1.309 20 0 DAADMO Cc1nc(NC[C@H](O)CNC(=O)CNC(N)=O)c(C)c(C)[nH+]1 ZINC001105711294 775671103 /nfs/dbraw/zinc/67/11/03/775671103.db2.gz ZWGMIWTVAPMXDM-SNVBAGLBSA-N 1 1 310.358 -1.041 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CNC(=O)N1CCCC1)c1nnnn1C ZINC001127035930 775672082 /nfs/dbraw/zinc/67/20/82/775672082.db2.gz TVDVHTZNTDFTMP-SNVBAGLBSA-N 1 1 324.389 -1.218 20 0 DAADMO COCCn1cc(C(=O)NCC[NH2+]Cc2ncnn2C)nn1 ZINC001127057099 775673896 /nfs/dbraw/zinc/67/38/96/775673896.db2.gz VQHBPEPKIKTGMD-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1nncn1C ZINC001127088070 775675614 /nfs/dbraw/zinc/67/56/14/775675614.db2.gz MMDBLWCMGATNPN-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cnns1 ZINC001127082764 775676074 /nfs/dbraw/zinc/67/60/74/775676074.db2.gz YIGCJAIDMSSODA-UHFFFAOYSA-N 1 1 307.401 -1.317 20 0 DAADMO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001127092442 775677845 /nfs/dbraw/zinc/67/78/45/775677845.db2.gz GDJBLRMDNJDNNN-UHFFFAOYSA-N 1 1 304.376 -2.040 20 0 DAADMO CCc1nc(NC[C@H](O)CNC(=O)Cn2cnnn2)cc(C)[nH+]1 ZINC001105716350 775679090 /nfs/dbraw/zinc/67/90/90/775679090.db2.gz PPGIRPOLDZHTCJ-JTQLQIEISA-N 1 1 320.357 -1.077 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103271297 775680402 /nfs/dbraw/zinc/68/04/02/775680402.db2.gz IHAJTXVARZDLAD-GHMZBOCLSA-N 1 1 322.431 -1.893 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2ncc(F)cn2)C1 ZINC001105769403 775689605 /nfs/dbraw/zinc/68/96/05/775689605.db2.gz LCTTVVUZNZYSMI-QWRGUYRKSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2ncc(F)cn2)C1 ZINC001105769403 775689611 /nfs/dbraw/zinc/68/96/11/775689611.db2.gz LCTTVVUZNZYSMI-QWRGUYRKSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc(F)ncn2)C1 ZINC001105769283 775690118 /nfs/dbraw/zinc/69/01/18/775690118.db2.gz JNUIGBXLNZOLHU-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc(F)ncn2)C1 ZINC001105769283 775690124 /nfs/dbraw/zinc/69/01/24/775690124.db2.gz JNUIGBXLNZOLHU-ZJUUUORDSA-N 1 1 313.333 -1.165 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001212163701 775691691 /nfs/dbraw/zinc/69/16/91/775691691.db2.gz HUFGFWYBTILAOB-VXGBXAGGSA-N 1 1 309.370 -1.165 20 0 DAADMO O=C(Cn1ncnn1)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098675665 775691874 /nfs/dbraw/zinc/69/18/74/775691874.db2.gz DVWHUEDLZXUJGI-LLVKDONJSA-N 1 1 321.345 -2.180 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001105793475 775693074 /nfs/dbraw/zinc/69/30/74/775693074.db2.gz HWGRXORGKFSWMQ-JFGNBEQYSA-N 1 1 323.401 -1.081 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001212170181 775704350 /nfs/dbraw/zinc/70/43/50/775704350.db2.gz LBWJOUOXXNMFDI-QJPTWQEYSA-N 1 1 324.385 -1.245 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C[C@@H](C)NC(N)=O ZINC001127157364 775710655 /nfs/dbraw/zinc/71/06/55/775710655.db2.gz ZTPMQYBQHVWFFV-SECBINFHSA-N 1 1 312.378 -1.264 20 0 DAADMO CCc1cc(NC[C@@H](O)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001105975473 775719700 /nfs/dbraw/zinc/71/97/00/775719700.db2.gz WUWTYQZNMSOXMG-LLVKDONJSA-N 1 1 320.357 -1.077 20 0 DAADMO Cc1nc(NC[C@@H](O)CNC(=O)Cn2ncnn2)c(C)c(C)[nH+]1 ZINC001105975336 775720250 /nfs/dbraw/zinc/72/02/50/775720250.db2.gz SXXSWGLJVAUUSV-NSHDSACASA-N 1 1 320.357 -1.022 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001120385859 775721153 /nfs/dbraw/zinc/72/11/53/775721153.db2.gz ABKSPRVCFSQOQW-SNVBAGLBSA-N 1 1 314.367 -1.389 20 0 DAADMO CCNC(=O)CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106033094 775726647 /nfs/dbraw/zinc/72/66/47/775726647.db2.gz AAKBXPNUIMWKIK-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC001088895892 775733633 /nfs/dbraw/zinc/73/36/33/775733633.db2.gz CBMRYWIKJIEYSS-FOGDFJRCSA-N 1 1 324.381 -1.343 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001088888198 775733726 /nfs/dbraw/zinc/73/37/26/775733726.db2.gz DIFDPXINTYLJTN-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001088888198 775733734 /nfs/dbraw/zinc/73/37/34/775733734.db2.gz DIFDPXINTYLJTN-VGMNWLOBSA-N 1 1 311.342 -2.091 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@@H+]1CCF ZINC001088896300 775734301 /nfs/dbraw/zinc/73/43/01/775734301.db2.gz ATLRNNSUFQRFSL-BDAKNGLRSA-N 1 1 314.317 -1.045 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CC[N@H+]1CCF ZINC001088896300 775734303 /nfs/dbraw/zinc/73/43/03/775734303.db2.gz ATLRNNSUFQRFSL-BDAKNGLRSA-N 1 1 314.317 -1.045 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088938441 775735932 /nfs/dbraw/zinc/73/59/32/775735932.db2.gz OMDPUKMRUILVAZ-SCZZXKLOSA-N 1 1 323.353 -1.197 20 0 DAADMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088938441 775735940 /nfs/dbraw/zinc/73/59/40/775735940.db2.gz OMDPUKMRUILVAZ-SCZZXKLOSA-N 1 1 323.353 -1.197 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)CC[N@H+]1CCO ZINC001088963819 775737034 /nfs/dbraw/zinc/73/70/34/775737034.db2.gz XUKJMOHCOPIWRM-NEPJUHHUSA-N 1 1 323.397 -1.048 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)[C@@H]2C)c(=O)n1C ZINC001089013207 775737369 /nfs/dbraw/zinc/73/73/69/775737369.db2.gz HYUZKKLNQDYVOK-FOGDFJRCSA-N 1 1 311.386 -1.150 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CC[N@H+]1CCN1CCNC1=O ZINC001088969852 775737571 /nfs/dbraw/zinc/73/75/71/775737571.db2.gz RWHHHFYILGRJIE-MNOVXSKESA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@@H+]1CCN1CCNC1=O ZINC001088969852 775737582 /nfs/dbraw/zinc/73/75/82/775737582.db2.gz RWHHHFYILGRJIE-MNOVXSKESA-N 1 1 321.385 -1.049 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC001088969852 775737584 /nfs/dbraw/zinc/73/75/84/775737584.db2.gz RWHHHFYILGRJIE-MNOVXSKESA-N 1 1 321.385 -1.049 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001089028635 775737653 /nfs/dbraw/zinc/73/76/53/775737653.db2.gz GTURDUXHLZTLAO-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001089028635 775737661 /nfs/dbraw/zinc/73/76/61/775737661.db2.gz GTURDUXHLZTLAO-ZJUUUORDSA-N 1 1 310.354 -1.540 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001089022719 775737689 /nfs/dbraw/zinc/73/76/89/775737689.db2.gz KMVHAHJVAMLZBH-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001089022719 775737695 /nfs/dbraw/zinc/73/76/95/775737695.db2.gz KMVHAHJVAMLZBH-ZJUUUORDSA-N 1 1 307.354 -1.281 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)n1 ZINC001088995067 775738471 /nfs/dbraw/zinc/73/84/71/775738471.db2.gz XINSYMQMXNLPQG-MNOVXSKESA-N 1 1 307.354 -1.384 20 0 DAADMO Cc1ccc(=O)n(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)n1 ZINC001088995067 775738477 /nfs/dbraw/zinc/73/84/77/775738477.db2.gz XINSYMQMXNLPQG-MNOVXSKESA-N 1 1 307.354 -1.384 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+]1CCN1CCNC1=O ZINC001088991795 775738690 /nfs/dbraw/zinc/73/86/90/775738690.db2.gz RPGHSERUDFNGQW-WOPDTQHZSA-N 1 1 323.397 -1.131 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[N@H+]1CCO ZINC001088980015 775738820 /nfs/dbraw/zinc/73/88/20/775738820.db2.gz RMEPSKGTJYRAPV-BDAKNGLRSA-N 1 1 306.326 -1.398 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001089045695 775739850 /nfs/dbraw/zinc/73/98/50/775739850.db2.gz CMYDCVWILIOJIC-VWYCJHECSA-N 1 1 305.400 -1.097 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1C ZINC001089082758 775740467 /nfs/dbraw/zinc/74/04/67/775740467.db2.gz HNHWODKSVLHPGY-BBBLOLIVSA-N 1 1 310.354 -1.636 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1C ZINC001089082758 775740475 /nfs/dbraw/zinc/74/04/75/775740475.db2.gz HNHWODKSVLHPGY-BBBLOLIVSA-N 1 1 310.354 -1.636 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@@H+]1CC(=O)N(C)C ZINC001089087470 775740855 /nfs/dbraw/zinc/74/08/55/775740855.db2.gz DQBRPMPLAFBTPI-VWYCJHECSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CC[N@H+]1CC(=O)N(C)C ZINC001089087470 775740860 /nfs/dbraw/zinc/74/08/60/775740860.db2.gz DQBRPMPLAFBTPI-VWYCJHECSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[N@H+]1CCCO ZINC001089060345 775741157 /nfs/dbraw/zinc/74/11/57/775741157.db2.gz GMHHPKXMXVLANN-ZJUUUORDSA-N 1 1 310.358 -1.662 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC001089064080 775741252 /nfs/dbraw/zinc/74/12/52/775741252.db2.gz IHCLOSWXOYSHID-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC001089064080 775741258 /nfs/dbraw/zinc/74/12/58/775741258.db2.gz IHCLOSWXOYSHID-ZJUUUORDSA-N 1 1 309.370 -1.338 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@@H+]1CC(=O)N(C)C ZINC001089087469 775741535 /nfs/dbraw/zinc/74/15/35/775741535.db2.gz DQBRPMPLAFBTPI-MXWKQRLJSA-N 1 1 324.381 -1.294 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CC[N@H+]1CC(=O)N(C)C ZINC001089087469 775741543 /nfs/dbraw/zinc/74/15/43/775741543.db2.gz DQBRPMPLAFBTPI-MXWKQRLJSA-N 1 1 324.381 -1.294 20 0 DAADMO Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106088282 775742436 /nfs/dbraw/zinc/74/24/36/775742436.db2.gz CMPFHFNDMBREDP-UWVGGRQHSA-N 1 1 308.342 -1.336 20 0 DAADMO CCc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cc(C)[nH+]1 ZINC001106089226 775744080 /nfs/dbraw/zinc/74/40/80/775744080.db2.gz QQGNCPYQNMTSFF-ZJUUUORDSA-N 1 1 322.369 -1.082 20 0 DAADMO CCc1cc(NC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001106089109 775744543 /nfs/dbraw/zinc/74/45/43/775744543.db2.gz PQFFUZLSMSXTBQ-WDEREUQCSA-N 1 1 322.369 -1.082 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)Cn2cncn2)[nH]1 ZINC001272306840 775745826 /nfs/dbraw/zinc/74/58/26/775745826.db2.gz DZOGZINVEVDZHY-UHFFFAOYSA-N 1 1 308.346 -1.685 20 0 DAADMO Cc1nnc(C[NH2+]CCN(CCO)C(=O)Cc2cncn2C)[nH]1 ZINC001272294985 775746019 /nfs/dbraw/zinc/74/60/19/775746019.db2.gz IBRPLSHVMWCKKC-UHFFFAOYSA-N 1 1 321.385 -1.000 20 0 DAADMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1NC(=O)CNC1=O)C2 ZINC001272323561 775749511 /nfs/dbraw/zinc/74/95/11/775749511.db2.gz AWJNJOFZYNHBAU-XHDPSFHLSA-N 1 1 308.382 -1.065 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272321486 775749706 /nfs/dbraw/zinc/74/97/06/775749706.db2.gz FRZCVXZRQZWZPO-JTQLQIEISA-N 1 1 324.337 -1.362 20 0 DAADMO C[N@@H+](CCCNC(=O)C1=COCCO1)CCNS(C)(=O)=O ZINC001233562527 775751719 /nfs/dbraw/zinc/75/17/19/775751719.db2.gz PLPSYQZDSUYVND-UHFFFAOYSA-N 1 1 321.399 -1.138 20 0 DAADMO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C)c1nnnn1C ZINC001272380823 775754002 /nfs/dbraw/zinc/75/40/02/775754002.db2.gz PAGILMNHHNEHPS-DTWKUNHWSA-N 1 1 312.374 -1.047 20 0 DAADMO O=C(NCC(F)F)C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001272461404 775763866 /nfs/dbraw/zinc/76/38/66/775763866.db2.gz OTURYXCGTAZPHC-ZCFIWIBFSA-N 1 1 323.325 -1.514 20 0 DAADMO CN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272495623 775764765 /nfs/dbraw/zinc/76/47/65/775764765.db2.gz GHYAVSNYHHUKDT-CHWSQXEVSA-N 1 1 312.414 -1.230 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CCNC2=O)nn1 ZINC001272520023 775768960 /nfs/dbraw/zinc/76/89/60/775768960.db2.gz FKYDVISYIJQLKU-RISCZKNCSA-N 1 1 324.385 -1.609 20 0 DAADMO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1)c1nncn1C ZINC001272513838 775769256 /nfs/dbraw/zinc/76/92/56/775769256.db2.gz RKERNQLNEFPHQA-IUCAKERBSA-N 1 1 310.358 -1.792 20 0 DAADMO O=C1CC[C@H](C[N@H+]2CC[C@]3(C2)CN(C2COC2)C(=O)CO3)N1 ZINC001272528716 775770062 /nfs/dbraw/zinc/77/00/62/775770062.db2.gz WPGCHBWDGIAMDS-ABAIWWIYSA-N 1 1 309.366 -1.033 20 0 DAADMO O=C1CC[C@H](C[N@H+]2CC[C@@]3(C2)CN(C2COC2)C(=O)CO3)N1 ZINC001272528717 775770378 /nfs/dbraw/zinc/77/03/78/775770378.db2.gz WPGCHBWDGIAMDS-IAQYHMDHSA-N 1 1 309.366 -1.033 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001234245792 775772637 /nfs/dbraw/zinc/77/26/37/775772637.db2.gz FGFNBRKIOQLAFH-NSHDSACASA-N 1 1 322.431 -1.750 20 0 DAADMO O=C(NC[C@H](O)C[NH2+]Cc1ncccn1)C1CC(=O)NC(=O)C1 ZINC001272545539 775773879 /nfs/dbraw/zinc/77/38/79/775773879.db2.gz MGZHZQJTPRBJPI-SNVBAGLBSA-N 1 1 321.337 -1.904 20 0 DAADMO CN(C)C(=O)CN1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001272555673 775774048 /nfs/dbraw/zinc/77/40/48/775774048.db2.gz PWIRRAHBXNGDNN-ZDUSSCGKSA-N 1 1 323.441 -1.535 20 0 DAADMO O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001272592374 775785312 /nfs/dbraw/zinc/78/53/12/775785312.db2.gz NURYXKMQBOIHGX-PSASIEDQSA-N 1 1 310.310 -1.706 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106522987 775789209 /nfs/dbraw/zinc/78/92/09/775789209.db2.gz XRGGMKZGJBMUMS-GMTAPVOTSA-N 1 1 323.401 -1.094 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 ZINC001272625109 775793952 /nfs/dbraw/zinc/79/39/52/775793952.db2.gz IDNXXRAWVHXZHH-AEJSXWLSSA-N 1 1 321.337 -1.078 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272626496 775794028 /nfs/dbraw/zinc/79/40/28/775794028.db2.gz ZEWRNTWFWJJJPP-QXEWZRGKSA-N 1 1 307.354 -1.050 20 0 DAADMO C[C@H]1c2nc(C(N)=O)cn2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272626496 775794035 /nfs/dbraw/zinc/79/40/35/775794035.db2.gz ZEWRNTWFWJJJPP-QXEWZRGKSA-N 1 1 307.354 -1.050 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)CC2 ZINC001272628423 775794417 /nfs/dbraw/zinc/79/44/17/775794417.db2.gz GSBAXSLMYVPXBV-JQWIXIFHSA-N 1 1 321.381 -1.008 20 0 DAADMO CN(C)C(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)CC2 ZINC001272628423 775794424 /nfs/dbraw/zinc/79/44/24/775794424.db2.gz GSBAXSLMYVPXBV-JQWIXIFHSA-N 1 1 321.381 -1.008 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272626497 775795387 /nfs/dbraw/zinc/79/53/87/775795387.db2.gz ZEWRNTWFWJJJPP-YWVKMMECSA-N 1 1 307.354 -1.050 20 0 DAADMO C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272626497 775795389 /nfs/dbraw/zinc/79/53/89/775795389.db2.gz ZEWRNTWFWJJJPP-YWVKMMECSA-N 1 1 307.354 -1.050 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272625549 775795487 /nfs/dbraw/zinc/79/54/87/775795487.db2.gz MALWVDUFQZVRML-UTLUCORTSA-N 1 1 322.369 -1.785 20 0 DAADMO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272625549 775795495 /nfs/dbraw/zinc/79/54/95/775795495.db2.gz MALWVDUFQZVRML-UTLUCORTSA-N 1 1 322.369 -1.785 20 0 DAADMO C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2nnco2)C1 ZINC001272625537 775795526 /nfs/dbraw/zinc/79/55/26/775795526.db2.gz MAGLNLOQJONWCW-MAGOMRGPSA-N 1 1 321.337 -1.078 20 0 DAADMO C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106740917 775795976 /nfs/dbraw/zinc/79/59/76/775795976.db2.gz CUZSJZHZLOZCNB-GHMZBOCLSA-N 1 1 323.401 -1.128 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001212214683 775798023 /nfs/dbraw/zinc/79/80/23/775798023.db2.gz UIPVTZDPDWFXGX-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001212214683 775798036 /nfs/dbraw/zinc/79/80/36/775798036.db2.gz UIPVTZDPDWFXGX-ZYHUDNBSSA-N 1 1 313.358 -1.747 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@H](OC)C1 ZINC001212218882 775800623 /nfs/dbraw/zinc/80/06/23/775800623.db2.gz ODBFNSJKNGCNOG-UMSGYPCISA-N 1 1 304.387 -1.174 20 0 DAADMO NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2)C1 ZINC001098799608 775800945 /nfs/dbraw/zinc/80/09/45/775800945.db2.gz FQDZZTKSPIFONP-WFASDCNBSA-N 1 1 310.398 -1.225 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2)C1 ZINC001098799608 775800953 /nfs/dbraw/zinc/80/09/53/775800953.db2.gz FQDZZTKSPIFONP-WFASDCNBSA-N 1 1 310.398 -1.225 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1ncnn1CC(F)F ZINC001127433078 775802289 /nfs/dbraw/zinc/80/22/89/775802289.db2.gz DBPGEZHWISXWDW-UHFFFAOYSA-N 1 1 315.288 -1.564 20 0 DAADMO Cn1c(C[NH2+]CCNC(=O)Cn2ncnn2)nnc1C1CC1 ZINC001127433147 775802443 /nfs/dbraw/zinc/80/24/43/775802443.db2.gz HFOTYEFRJMUDCG-UHFFFAOYSA-N 1 1 305.346 -1.415 20 0 DAADMO O=C(Cn1ncnn1)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001127433038 775802699 /nfs/dbraw/zinc/80/26/99/775802699.db2.gz BWISNVMGGYHICB-UHFFFAOYSA-N 1 1 305.346 -1.419 20 0 DAADMO CC(C)c1nnc(C[NH2+]CCNC(=O)Cn2ncnn2)n1C ZINC001127433104 775802725 /nfs/dbraw/zinc/80/27/25/775802725.db2.gz FAJOSGNEBZVVIT-UHFFFAOYSA-N 1 1 307.362 -1.169 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)Cn2ncnn2)[nH]1 ZINC001127433322 775802884 /nfs/dbraw/zinc/80/28/84/775802884.db2.gz LLNALSRSAPVMHG-UHFFFAOYSA-N 1 1 307.362 -1.005 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1COCCO1 ZINC001123870631 775807364 /nfs/dbraw/zinc/80/73/64/775807364.db2.gz YGXHDMWLVBFPMP-SNVBAGLBSA-N 1 1 311.342 -1.571 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001212268342 775811651 /nfs/dbraw/zinc/81/16/51/775811651.db2.gz XWXHBSJMELVPPD-GHMZBOCLSA-N 1 1 322.431 -1.440 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)[N@H+](CC(N)=O)C1 ZINC001089691293 775813655 /nfs/dbraw/zinc/81/36/55/775813655.db2.gz ZPEKTUIFRFTZTA-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@H](CNC(=O)[C@@H]2CNC(=O)N2)[N@@H+](CC(N)=O)C1 ZINC001089691293 775813662 /nfs/dbraw/zinc/81/36/62/775813662.db2.gz ZPEKTUIFRFTZTA-ZJUUUORDSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[N@H+](CC(N)=O)C1 ZINC001089691292 775814216 /nfs/dbraw/zinc/81/42/16/775814216.db2.gz ZPEKTUIFRFTZTA-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)[N@@H+](CC(N)=O)C1 ZINC001089691292 775814222 /nfs/dbraw/zinc/81/42/22/775814222.db2.gz ZPEKTUIFRFTZTA-VHSXEESVSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[N@H+](CC(N)=O)C1 ZINC001089691291 775814432 /nfs/dbraw/zinc/81/44/32/775814432.db2.gz ZPEKTUIFRFTZTA-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO CC1(C)CC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)[N@@H+](CC(N)=O)C1 ZINC001089691291 775814438 /nfs/dbraw/zinc/81/44/38/775814438.db2.gz ZPEKTUIFRFTZTA-UWVGGRQHSA-N 1 1 311.386 -1.240 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@H](OC)C1 ZINC001212308843 775815487 /nfs/dbraw/zinc/81/54/87/775815487.db2.gz INLJTVBNIVNCLI-QJPTWQEYSA-N 1 1 317.386 -1.401 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)c1ccncc1 ZINC001212311827 775815819 /nfs/dbraw/zinc/81/58/19/775815819.db2.gz YVMCPJLMDZTFIA-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001089785979 775816236 /nfs/dbraw/zinc/81/62/36/775816236.db2.gz FISKSCQNAXRSKA-YFKTTZPYSA-N 1 1 308.382 -1.223 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)c1ccoc1 ZINC001212313773 775816593 /nfs/dbraw/zinc/81/65/93/775816593.db2.gz WLISFFAVBDYQGL-VXGBXAGGSA-N 1 1 311.338 -1.183 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001212308658 775816919 /nfs/dbraw/zinc/81/69/19/775816919.db2.gz DWKMBBWKSYRTHY-GMTAPVOTSA-N 1 1 303.359 -2.055 20 0 DAADMO NC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1ncnn1 ZINC001089818840 775818386 /nfs/dbraw/zinc/81/83/86/775818386.db2.gz YPELACHHHZRTBW-USZNOCQGSA-N 1 1 319.369 -1.673 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1)c1ncccn1 ZINC001127653598 775821814 /nfs/dbraw/zinc/82/18/14/775821814.db2.gz ZLARBHDUPNDFHJ-VIFPVBQESA-N 1 1 318.341 -1.366 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)Cn2cnc(C(N)=O)n2)co1 ZINC001127653289 775822460 /nfs/dbraw/zinc/82/24/60/775822460.db2.gz QLEHPGMSFGUSJF-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852929 775822596 /nfs/dbraw/zinc/82/25/96/775822596.db2.gz MMCTXZKSSIILKY-YFKTTZPYSA-N 1 1 308.382 -1.271 20 0 DAADMO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(N)=O)nn1 ZINC001089852170 775822843 /nfs/dbraw/zinc/82/28/43/775822843.db2.gz CBLIYTLOAGJMLX-RYDUCSDGSA-N 1 1 318.381 -1.031 20 0 DAADMO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001124362028 775823896 /nfs/dbraw/zinc/82/38/96/775823896.db2.gz GCVGQKWQRFNGRO-UHFFFAOYSA-N 1 1 315.399 -1.062 20 0 DAADMO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853620 775824045 /nfs/dbraw/zinc/82/40/45/775824045.db2.gz WNDKEPFRVSMNNL-YFKTTZPYSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853620 775824053 /nfs/dbraw/zinc/82/40/53/775824053.db2.gz WNDKEPFRVSMNNL-YFKTTZPYSA-N 1 1 318.381 -1.031 20 0 DAADMO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089860528 775826511 /nfs/dbraw/zinc/82/65/11/775826511.db2.gz XPVPSMOUQCVZJR-YFKTTZPYSA-N 1 1 318.381 -1.031 20 0 DAADMO C[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001124873234 775831563 /nfs/dbraw/zinc/83/15/63/775831563.db2.gz UGEHHCBFZNQZOD-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCNC(=O)C1 ZINC001124873234 775831578 /nfs/dbraw/zinc/83/15/78/775831578.db2.gz UGEHHCBFZNQZOD-NSHDSACASA-N 1 1 311.386 -2.255 20 0 DAADMO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124879785 775832894 /nfs/dbraw/zinc/83/28/94/775832894.db2.gz ZPJOCKVXIRFFEG-ZDUSSCGKSA-N 1 1 300.403 -1.061 20 0 DAADMO Cc1cc(=O)n2nc(C[NH2+]CCNC(=O)CC(N)=O)sc2n1 ZINC001125090603 775837727 /nfs/dbraw/zinc/83/77/27/775837727.db2.gz MIKQQTPAGRADKI-UHFFFAOYSA-N 1 1 324.366 -1.459 20 0 DAADMO O=S(=O)([N-][C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001238245000 775839352 /nfs/dbraw/zinc/83/93/52/775839352.db2.gz ZEDXOCFXKLUTAV-IUCAKERBSA-N 1 1 309.413 -2.203 20 0 DAADMO CCCn1nnnc1CNCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220601 775842164 /nfs/dbraw/zinc/84/21/64/775842164.db2.gz KCJPOFYYNXRCNE-LLVKDONJSA-N 1 1 311.390 -1.381 20 0 DAADMO CCCn1nnnc1CNCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220601 775842170 /nfs/dbraw/zinc/84/21/70/775842170.db2.gz KCJPOFYYNXRCNE-LLVKDONJSA-N 1 1 311.390 -1.381 20 0 DAADMO CC(C)n1nnnc1CNCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213838 775842424 /nfs/dbraw/zinc/84/24/24/775842424.db2.gz LWNNTLSHXJLCOB-NSHDSACASA-N 1 1 311.390 -1.210 20 0 DAADMO CC(C)n1nnnc1CNCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213838 775842427 /nfs/dbraw/zinc/84/24/27/775842427.db2.gz LWNNTLSHXJLCOB-NSHDSACASA-N 1 1 311.390 -1.210 20 0 DAADMO CC(=O)NCC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107117550 775845532 /nfs/dbraw/zinc/84/55/32/775845532.db2.gz WMFRRGMHATUJPI-UHFFFAOYSA-N 1 1 310.358 -1.731 20 0 DAADMO COCCC[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107116870 775845570 /nfs/dbraw/zinc/84/55/70/775845570.db2.gz IWHGEZVYTZSMCM-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO O=C(Cn1cnnn1)NCc1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC001107125283 775846506 /nfs/dbraw/zinc/84/65/06/775846506.db2.gz RDYRIGUPRSQBNF-UHFFFAOYSA-N 1 1 317.357 -1.152 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107126802 775846879 /nfs/dbraw/zinc/84/68/79/775846879.db2.gz TULFLGQBFXZIMO-SECBINFHSA-N 1 1 321.345 -2.182 20 0 DAADMO COC[C@H](C)[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150517 775848706 /nfs/dbraw/zinc/84/87/06/775848706.db2.gz PBWHNIKPBWERNM-VIFPVBQESA-N 1 1 310.358 -1.339 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107172977 775852948 /nfs/dbraw/zinc/85/29/48/775852948.db2.gz VGIKDWLIMQHXDK-VIFPVBQESA-N 1 1 321.345 -2.182 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)COC)nn2)C1 ZINC001107178458 775853296 /nfs/dbraw/zinc/85/32/96/775853296.db2.gz YLSYHYPQDSPQRZ-UHFFFAOYSA-N 1 1 324.385 -1.076 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)COC)nn2)C1 ZINC001107173399 775853324 /nfs/dbraw/zinc/85/33/24/775853324.db2.gz AUUZIXXKZYZOHZ-SNVBAGLBSA-N 1 1 324.385 -1.078 20 0 DAADMO COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238705884 775854359 /nfs/dbraw/zinc/85/43/59/775854359.db2.gz DQXWYZNRMNPUJL-WDEREUQCSA-N 1 1 305.400 -1.191 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 ZINC001107202378 775855397 /nfs/dbraw/zinc/85/53/97/775855397.db2.gz FTMKQGWSORYMLO-VIFPVBQESA-N 1 1 322.369 -1.603 20 0 DAADMO CC[C@H](C[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1)OC ZINC001107201833 775855460 /nfs/dbraw/zinc/85/54/60/775855460.db2.gz DYUSUXJUYUDREU-LLVKDONJSA-N 1 1 310.358 -1.339 20 0 DAADMO C[C@@H](O)CCC[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202241 775856967 /nfs/dbraw/zinc/85/69/67/775856967.db2.gz YBVCDRYAKTWBME-SECBINFHSA-N 1 1 310.358 -1.603 20 0 DAADMO CN(C)C(=O)CC(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107220021 775857286 /nfs/dbraw/zinc/85/72/86/775857286.db2.gz WPQBNJMXVDTKAA-UHFFFAOYSA-N 1 1 324.385 -1.388 20 0 DAADMO NC(=O)C1(C(=O)NCc2cn(C3C[NH+](CCCO)C3)nn2)CC1 ZINC001107202328 775857418 /nfs/dbraw/zinc/85/74/18/775857418.db2.gz CQSCCQQULGXWJM-UHFFFAOYSA-N 1 1 322.369 -1.601 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCc1cn(C2CN(CCO)C2)nn1 ZINC001107236337 775858450 /nfs/dbraw/zinc/85/84/50/775858450.db2.gz VWXVSUAXXYNUTF-UHFFFAOYSA-N 1 1 319.369 -1.052 20 0 DAADMO O=C(Cn1cncn1)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001107234544 775858657 /nfs/dbraw/zinc/85/86/57/775858657.db2.gz IHNIHMCVRDUBQX-UHFFFAOYSA-N 1 1 320.357 -1.575 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[N@@H+](CCO)CC2(CCOCC2)C1 ZINC001099561679 775859816 /nfs/dbraw/zinc/85/98/16/775859816.db2.gz CGTFGGXKYDJHGK-LLVKDONJSA-N 1 1 314.386 -1.366 20 0 DAADMO C[C@H](NC(N)=O)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC001107377390 775861748 /nfs/dbraw/zinc/86/17/48/775861748.db2.gz JOCWZEAZSSUIQK-IMSIIYSGSA-N 1 1 311.386 -1.111 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779974 775862889 /nfs/dbraw/zinc/86/28/89/775862889.db2.gz UOLIYJREQDZQSL-WDEREUQCSA-N 1 1 309.374 -1.721 20 0 DAADMO Cn1ncnc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779265 775863279 /nfs/dbraw/zinc/86/32/79/775863279.db2.gz KJGITXRFNAXTRM-NEPJUHHUSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1[nH]c(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1=O ZINC001127780077 775863403 /nfs/dbraw/zinc/86/34/03/775863403.db2.gz VROLGGVSWSIDJB-MNOVXSKESA-N 1 1 324.385 -1.823 20 0 DAADMO Cn1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001127779909 775863996 /nfs/dbraw/zinc/86/39/96/775863996.db2.gz SRHOTISEDNXAMC-CHWSQXEVSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780217 775864208 /nfs/dbraw/zinc/86/42/08/775864208.db2.gz XDYHPNXFDUBYFY-DGCLKSJQSA-N 1 1 308.386 -1.116 20 0 DAADMO Cn1nncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780217 775864218 /nfs/dbraw/zinc/86/42/18/775864218.db2.gz XDYHPNXFDUBYFY-DGCLKSJQSA-N 1 1 308.386 -1.116 20 0 DAADMO NC(=O)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107527570 775866398 /nfs/dbraw/zinc/86/63/98/775866398.db2.gz KRWPYEVLEIJOQZ-IAQYHMDHSA-N 1 1 323.397 -1.142 20 0 DAADMO COC[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724074 775869655 /nfs/dbraw/zinc/86/96/55/775869655.db2.gz JEWZOAPRUNTOHJ-MFKMUULPSA-N 1 1 318.374 -2.131 20 0 DAADMO COC[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724074 775869663 /nfs/dbraw/zinc/86/96/63/775869663.db2.gz JEWZOAPRUNTOHJ-MFKMUULPSA-N 1 1 318.374 -2.131 20 0 DAADMO C[C@]1(CNC(=O)CNC(N)=O)C[N@H+](CCn2cccn2)CCO1 ZINC001107724058 775869937 /nfs/dbraw/zinc/86/99/37/775869937.db2.gz IXYJWLGBUHICRF-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@]1(CNC(=O)CNC(N)=O)C[N@@H+](CCn2cccn2)CCO1 ZINC001107724058 775869941 /nfs/dbraw/zinc/86/99/41/775869941.db2.gz IXYJWLGBUHICRF-AWEZNQCLSA-N 1 1 324.385 -1.242 20 0 DAADMO C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)CCn1ccnn1 ZINC001272749250 775871155 /nfs/dbraw/zinc/87/11/55/775871155.db2.gz WUEJWLNTUJGRBA-SNVBAGLBSA-N 1 1 307.362 -1.124 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724494 775871673 /nfs/dbraw/zinc/87/16/73/775871673.db2.gz RJBFYLFNJYURMX-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724494 775871685 /nfs/dbraw/zinc/87/16/85/775871685.db2.gz RJBFYLFNJYURMX-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724856 775871754 /nfs/dbraw/zinc/87/17/54/775871754.db2.gz VYLRWVBNCDMNIU-MFKMUULPSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724856 775871757 /nfs/dbraw/zinc/87/17/57/775871757.db2.gz VYLRWVBNCDMNIU-MFKMUULPSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724855 775872484 /nfs/dbraw/zinc/87/24/84/775872484.db2.gz VYLRWVBNCDMNIU-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724855 775872485 /nfs/dbraw/zinc/87/24/85/775872485.db2.gz VYLRWVBNCDMNIU-GXFFZTMASA-N 1 1 302.375 -1.103 20 0 DAADMO CO[C@@H](C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727658 775872515 /nfs/dbraw/zinc/87/25/15/775872515.db2.gz DVDXWVUNKXWXSC-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727658 775872520 /nfs/dbraw/zinc/87/25/20/775872520.db2.gz DVDXWVUNKXWXSC-AAEUAGOBSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@H](C)[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724854 775872563 /nfs/dbraw/zinc/87/25/63/775872563.db2.gz VYLRWVBNCDMNIU-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107724854 775872567 /nfs/dbraw/zinc/87/25/67/775872567.db2.gz VYLRWVBNCDMNIU-GWCFXTLKSA-N 1 1 302.375 -1.103 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2COCCO2)C[N@H+](CCCO)CCO1 ZINC001107757666 775873938 /nfs/dbraw/zinc/87/39/38/775873938.db2.gz SAAZXQDUBJRXOU-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@]1(CNC(=O)[C@@H]2COCCO2)C[N@@H+](CCCO)CCO1 ZINC001107757666 775873940 /nfs/dbraw/zinc/87/39/40/775873940.db2.gz SAAZXQDUBJRXOU-JSGCOSHPSA-N 1 1 302.371 -1.009 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001127859430 775876005 /nfs/dbraw/zinc/87/60/05/775876005.db2.gz LCBXTKIWYAEYBI-VIFPVBQESA-N 1 1 318.403 -1.651 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127860897 775876645 /nfs/dbraw/zinc/87/66/45/775876645.db2.gz RNHLASJEJQMEGK-MRVPVSSYSA-N 1 1 319.391 -2.256 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1nccn1C ZINC001127858411 775876898 /nfs/dbraw/zinc/87/68/98/775876898.db2.gz DINQOSUTYMMNCH-JTQLQIEISA-N 1 1 317.415 -1.046 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832154 775877912 /nfs/dbraw/zinc/87/79/12/775877912.db2.gz SZTDCXONRGLSQI-GWCFXTLKSA-N 1 1 303.359 -1.924 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)CC(N)=O)C1 ZINC001107832154 775877917 /nfs/dbraw/zinc/87/79/17/775877917.db2.gz SZTDCXONRGLSQI-GWCFXTLKSA-N 1 1 303.359 -1.924 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001127861693 775878455 /nfs/dbraw/zinc/87/84/55/775878455.db2.gz XJBZDSGDJLZXFN-MRVPVSSYSA-N 1 1 318.403 -1.353 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCCO)CCO2)C1 ZINC001107840022 775879658 /nfs/dbraw/zinc/87/96/58/775879658.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCCO)CCO2)C1 ZINC001107840022 775879665 /nfs/dbraw/zinc/87/96/65/775879665.db2.gz ZVXNDSNJKYOCFJ-HIFRSBDPSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107883259 775882036 /nfs/dbraw/zinc/88/20/36/775882036.db2.gz OZHHIFFUJBZYIF-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO CN1CCOC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107883259 775882040 /nfs/dbraw/zinc/88/20/40/775882040.db2.gz OZHHIFFUJBZYIF-UKRRQHHQSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@]1(CNC(=O)CN2CN=NC2=O)C[N@H+](CCCO)CCO1 ZINC001107887511 775883170 /nfs/dbraw/zinc/88/31/70/775883170.db2.gz WTQJNVSVVXMMPW-CYBMUJFWSA-N 1 1 313.358 -1.427 20 0 DAADMO C[C@@]1(CNC(=O)CN2CN=NC2=O)C[N@@H+](CCCO)CCO1 ZINC001107887511 775883180 /nfs/dbraw/zinc/88/31/80/775883180.db2.gz WTQJNVSVVXMMPW-CYBMUJFWSA-N 1 1 313.358 -1.427 20 0 DAADMO COCC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886203 775883561 /nfs/dbraw/zinc/88/35/61/775883561.db2.gz CHRVCLMTFUMXQZ-CYBMUJFWSA-N 1 1 313.358 -1.163 20 0 DAADMO COCC[N@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886203 775883566 /nfs/dbraw/zinc/88/35/66/775883566.db2.gz CHRVCLMTFUMXQZ-CYBMUJFWSA-N 1 1 313.358 -1.163 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107920188 775886544 /nfs/dbraw/zinc/88/65/44/775886544.db2.gz NLIRZHZOBCQEFB-SMDDNHRTSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107920188 775886549 /nfs/dbraw/zinc/88/65/49/775886549.db2.gz NLIRZHZOBCQEFB-SMDDNHRTSA-N 1 1 316.402 -1.107 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000691341755 775888253 /nfs/dbraw/zinc/88/82/53/775888253.db2.gz DFSOIGDCKAQKBC-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@@]1(CNC(=O)CO[C@H]2CCOC2)C[N@H+](CCO)CCO1 ZINC001107943095 775888421 /nfs/dbraw/zinc/88/84/21/775888421.db2.gz ZZQQFSYRTFWNNR-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@]1(CNC(=O)CO[C@H]2CCOC2)C[N@@H+](CCO)CCO1 ZINC001107943095 775888431 /nfs/dbraw/zinc/88/84/31/775888431.db2.gz ZZQQFSYRTFWNNR-GXTWGEPZSA-N 1 1 302.371 -1.009 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)NC(N)=O ZINC001107941706 775888603 /nfs/dbraw/zinc/88/86/03/775888603.db2.gz LNQRIQFZEYWUGR-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@H](CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)NC(N)=O ZINC001107941706 775888613 /nfs/dbraw/zinc/88/86/13/775888613.db2.gz LNQRIQFZEYWUGR-GWCFXTLKSA-N 1 1 302.375 -1.367 20 0 DAADMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000691341757 775888656 /nfs/dbraw/zinc/88/86/56/775888656.db2.gz DFSOIGDCKAQKBC-NSHDSACASA-N 1 1 307.416 -1.207 20 0 DAADMO CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107952873 775890214 /nfs/dbraw/zinc/89/02/14/775890214.db2.gz MRYJFFGBSWNTOZ-AWEZNQCLSA-N 1 1 324.385 -1.006 20 0 DAADMO CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107953189 775890679 /nfs/dbraw/zinc/89/06/79/775890679.db2.gz UMPXGNXXHJUUKG-AWEZNQCLSA-N 1 1 324.385 -1.008 20 0 DAADMO CC(C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001107953190 775890734 /nfs/dbraw/zinc/89/07/34/775890734.db2.gz UMPXGNXXHJUUKG-CQSZACIVSA-N 1 1 324.385 -1.008 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@H](C)NC(=O)COC)n1 ZINC001127966898 775893187 /nfs/dbraw/zinc/89/31/87/775893187.db2.gz GZAGPYBKJKIGOC-JTQLQIEISA-N 1 1 312.374 -1.345 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1OC ZINC001212359221 775893957 /nfs/dbraw/zinc/89/39/57/775893957.db2.gz RJCYICSEODAMEO-GHMZBOCLSA-N 1 1 323.415 -1.613 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001212359322 775893987 /nfs/dbraw/zinc/89/39/87/775893987.db2.gz XJBATRAAVLPFJD-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001212359330 775894224 /nfs/dbraw/zinc/89/42/24/775894224.db2.gz XSJVQCCENPPSBW-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107964053 775894374 /nfs/dbraw/zinc/89/43/74/775894374.db2.gz BRLCYNMNKHJTBR-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107964053 775894381 /nfs/dbraw/zinc/89/43/81/775894381.db2.gz BRLCYNMNKHJTBR-RISCZKNCSA-N 1 1 317.386 -1.663 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212359190 775894543 /nfs/dbraw/zinc/89/45/43/775894543.db2.gz PYNAOCXZUSMPAQ-GMTAPVOTSA-N 1 1 323.415 -1.878 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001212361271 775895095 /nfs/dbraw/zinc/89/50/95/775895095.db2.gz FUYAHJSRULVLCC-IJLUTSLNSA-N 1 1 317.386 -1.713 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001212366013 775896241 /nfs/dbraw/zinc/89/62/41/775896241.db2.gz XCZSBORPJZSLTC-VXGBXAGGSA-N 1 1 317.386 -1.663 20 0 DAADMO COCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC(N)=O)CC2 ZINC001127984759 775897356 /nfs/dbraw/zinc/89/73/56/775897356.db2.gz QEHIJUOGUWHFSF-JTQLQIEISA-N 1 1 324.385 -1.289 20 0 DAADMO C[C@H](O)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC(N)=O)CC2 ZINC001127985705 775897453 /nfs/dbraw/zinc/89/74/53/775897453.db2.gz YTAGVPIYZBWGJR-VHSXEESVSA-N 1 1 324.385 -1.555 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001127993925 775898598 /nfs/dbraw/zinc/89/85/98/775898598.db2.gz ONUOOOSKRIWFRU-DTWKUNHWSA-N 1 1 313.362 -1.872 20 0 DAADMO C[C@H](NC(=O)c1ccoc1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001127999057 775898913 /nfs/dbraw/zinc/89/89/13/775898913.db2.gz JIRVUDYCYMTLQE-VIFPVBQESA-N 1 1 321.341 -1.173 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@H+](C[C@H](C)O)CCO1 ZINC001107982186 775903544 /nfs/dbraw/zinc/90/35/44/775903544.db2.gz QSTVXXWABBLHDV-GWCFXTLKSA-N 1 1 302.375 -1.497 20 0 DAADMO CNC(=O)NCC(=O)NC[C@@]1(C)C[N@@H+](C[C@H](C)O)CCO1 ZINC001107982186 775903551 /nfs/dbraw/zinc/90/35/51/775903551.db2.gz QSTVXXWABBLHDV-GWCFXTLKSA-N 1 1 302.375 -1.497 20 0 DAADMO CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099608085 775903691 /nfs/dbraw/zinc/90/36/91/775903691.db2.gz WAYHCOCLMZBDKG-WDEREUQCSA-N 1 1 323.340 -1.044 20 0 DAADMO C[C@@H](O)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128032112 775904675 /nfs/dbraw/zinc/90/46/75/775904675.db2.gz BAJGMZCCLUGMDB-BDAKNGLRSA-N 1 1 310.358 -1.945 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099610194 775905725 /nfs/dbraw/zinc/90/57/25/775905725.db2.gz IBZONWBYGOQACG-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@H](O)C1 ZINC001099610194 775905740 /nfs/dbraw/zinc/90/57/40/775905740.db2.gz IBZONWBYGOQACG-NWDGAFQWSA-N 1 1 319.427 -1.113 20 0 DAADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000300179314 775905848 /nfs/dbraw/zinc/90/58/48/775905848.db2.gz NKQCAKIMNAAYJF-QWRGUYRKSA-N 1 1 321.399 -1.163 20 0 DAADMO COCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128033500 775906287 /nfs/dbraw/zinc/90/62/87/775906287.db2.gz XIQJSWJUVUQZHN-VIFPVBQESA-N 1 1 310.358 -1.680 20 0 DAADMO COCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099613660 775906943 /nfs/dbraw/zinc/90/69/43/775906943.db2.gz LUSXILDYUYSMAB-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099613662 775907018 /nfs/dbraw/zinc/90/70/18/775907018.db2.gz LUSXILDYUYSMAB-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001099614506 775907574 /nfs/dbraw/zinc/90/75/74/775907574.db2.gz WFNDTPQPWMZFBU-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO COCC(=O)N[C@@H]1CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]1O ZINC001099614506 775907583 /nfs/dbraw/zinc/90/75/83/775907583.db2.gz WFNDTPQPWMZFBU-VXGBXAGGSA-N 1 1 316.402 -1.108 20 0 DAADMO CCOCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128048783 775907955 /nfs/dbraw/zinc/90/79/55/775907955.db2.gz PJMDKSQIYGELEZ-JTQLQIEISA-N 1 1 324.385 -1.289 20 0 DAADMO COC[C@H](C)[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(N)=O)CC2 ZINC001128048043 775909189 /nfs/dbraw/zinc/90/91/89/775909189.db2.gz KZXFTYZRIKWIHG-UWVGGRQHSA-N 1 1 324.385 -1.291 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2CS(=O)(=O)C2)[nH]1 ZINC001128104985 775915434 /nfs/dbraw/zinc/91/54/34/775915434.db2.gz QRFXSUSPVQHTLK-SSDOTTSWSA-N 1 1 301.372 -1.075 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C1CS(=O)(=O)C1)c1nncn1C ZINC001128104508 775915520 /nfs/dbraw/zinc/91/55/20/775915520.db2.gz MNUVFVSUPNKIAL-QMMMGPOBSA-N 1 1 301.372 -1.374 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955716 775919733 /nfs/dbraw/zinc/91/97/33/775919733.db2.gz DSMIHQSXCIOEFP-WDEREUQCSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC2(CCOCC2)C1 ZINC001089955716 775919739 /nfs/dbraw/zinc/91/97/39/775919739.db2.gz DSMIHQSXCIOEFP-WDEREUQCSA-N 1 1 324.381 -1.653 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)cc1=O ZINC001108004753 775919761 /nfs/dbraw/zinc/91/97/61/775919761.db2.gz BRABTYYLGMQFEX-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO Cn1cnc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)cc1=O ZINC001108004753 775919768 /nfs/dbraw/zinc/91/97/68/775919768.db2.gz BRABTYYLGMQFEX-CQSZACIVSA-N 1 1 310.354 -1.407 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099631355 775926493 /nfs/dbraw/zinc/92/64/93/775926493.db2.gz VVHIDSPOYSBGHG-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099631355 775926501 /nfs/dbraw/zinc/92/65/01/775926501.db2.gz VVHIDSPOYSBGHG-QWHCGFSZSA-N 1 1 309.370 -1.392 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)c1=O ZINC001108038472 775926923 /nfs/dbraw/zinc/92/69/23/775926923.db2.gz SXZYHENBIIXOAQ-CYBMUJFWSA-N 1 1 313.358 -2.219 20 0 DAADMO Cn1cnn(CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)c1=O ZINC001108038472 775926927 /nfs/dbraw/zinc/92/69/27/775926927.db2.gz SXZYHENBIIXOAQ-CYBMUJFWSA-N 1 1 313.358 -2.219 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O ZINC001099635878 775926965 /nfs/dbraw/zinc/92/69/65/775926965.db2.gz IYKPWPSAOHKRCW-CHWSQXEVSA-N 1 1 309.370 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](OC)C1 ZINC001212438973 775928321 /nfs/dbraw/zinc/92/83/21/775928321.db2.gz NBZXBFOCSKQNES-GMTAPVOTSA-N 1 1 317.386 -1.679 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001099644645 775930558 /nfs/dbraw/zinc/93/05/58/775930558.db2.gz JCHDLQPQZQVTBA-CHWSQXEVSA-N 1 1 324.385 -1.349 20 0 DAADMO C[C@]1(CNC(=O)C(=O)NCC(F)F)C[N@H+](CCO)CCO1 ZINC001108039727 775931076 /nfs/dbraw/zinc/93/10/76/775931076.db2.gz FMNPPLKEOARQNT-LBPRGKRZSA-N 1 1 309.313 -1.433 20 0 DAADMO C[C@]1(CNC(=O)C(=O)NCC(F)F)C[N@@H+](CCO)CCO1 ZINC001108039727 775931083 /nfs/dbraw/zinc/93/10/83/775931083.db2.gz FMNPPLKEOARQNT-LBPRGKRZSA-N 1 1 309.313 -1.433 20 0 DAADMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099644857 775931126 /nfs/dbraw/zinc/93/11/26/775931126.db2.gz KTUFXGRYCJCKQS-RYUDHWBXSA-N 1 1 312.374 -1.351 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645603 775932035 /nfs/dbraw/zinc/93/20/35/775932035.db2.gz VMZZHRYYHDQJAV-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCS(C)(=O)=O)C1 ZINC001117079412 775932099 /nfs/dbraw/zinc/93/20/99/775932099.db2.gz KOLVXVLAMMCFKD-NSHDSACASA-N 1 1 319.427 -1.053 20 0 DAADMO CC(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089977747 775935419 /nfs/dbraw/zinc/93/54/19/775935419.db2.gz XYCFZJXANIQTGO-RYUDHWBXSA-N 1 1 305.400 -1.407 20 0 DAADMO CC(=O)N[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001089977747 775935430 /nfs/dbraw/zinc/93/54/30/775935430.db2.gz XYCFZJXANIQTGO-RYUDHWBXSA-N 1 1 305.400 -1.407 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCCNC2=O)C[N@H+](CCO)CCO1 ZINC001108048685 775937914 /nfs/dbraw/zinc/93/79/14/775937914.db2.gz AWSRBZYPLZOGGU-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCCNC2=O)C[N@@H+](CCO)CCO1 ZINC001108048685 775937921 /nfs/dbraw/zinc/93/79/21/775937921.db2.gz AWSRBZYPLZOGGU-CQSZACIVSA-N 1 1 314.386 -1.399 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CNC(=O)CNC(C)=O ZINC001212476865 775940851 /nfs/dbraw/zinc/94/08/51/775940851.db2.gz GZEYXPRXMOUWRW-VXGBXAGGSA-N 1 1 314.386 -1.538 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083814707 775942103 /nfs/dbraw/zinc/94/21/03/775942103.db2.gz PZTXXSMXEPOGNF-NEPJUHHUSA-N 1 1 305.342 -1.595 20 0 DAADMO O=C(Cc1c[nH]cn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083814707 775942109 /nfs/dbraw/zinc/94/21/09/775942109.db2.gz PZTXXSMXEPOGNF-NEPJUHHUSA-N 1 1 305.342 -1.595 20 0 DAADMO CCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089987173 775942933 /nfs/dbraw/zinc/94/29/33/775942933.db2.gz LZHXHCADCKHJJX-NWDGAFQWSA-N 1 1 324.381 -1.455 20 0 DAADMO CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001089987173 775942943 /nfs/dbraw/zinc/94/29/43/775942943.db2.gz LZHXHCADCKHJJX-NWDGAFQWSA-N 1 1 324.381 -1.455 20 0 DAADMO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212495681 775944424 /nfs/dbraw/zinc/94/44/24/775944424.db2.gz NLEKBXXLSDTELJ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212495681 775944436 /nfs/dbraw/zinc/94/44/36/775944436.db2.gz NLEKBXXLSDTELJ-RKDXNWHRSA-N 1 1 309.313 -1.435 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032833911 775944567 /nfs/dbraw/zinc/94/45/67/775944567.db2.gz NSRSYIYZNNFBFQ-SRVKXCTJSA-N 1 1 323.397 -1.001 20 0 DAADMO NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032833911 775944576 /nfs/dbraw/zinc/94/45/76/775944576.db2.gz NSRSYIYZNNFBFQ-SRVKXCTJSA-N 1 1 323.397 -1.001 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O)C(F)F ZINC001089990303 775945546 /nfs/dbraw/zinc/94/55/46/775945546.db2.gz PNOIAUJANMPCRN-JGVFFNPUSA-N 1 1 320.296 -1.645 20 0 DAADMO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212497700 775945696 /nfs/dbraw/zinc/94/56/96/775945696.db2.gz UJYYOGRFQNSAJQ-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212497700 775945707 /nfs/dbraw/zinc/94/57/07/775945707.db2.gz UJYYOGRFQNSAJQ-DJLDLDEBSA-N 1 1 309.313 -1.436 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)C(F)F ZINC001089988232 775945861 /nfs/dbraw/zinc/94/58/61/775945861.db2.gz GJGWEPRUNIGGBX-BDAKNGLRSA-N 1 1 319.308 -1.048 20 0 DAADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCNS(C)(=O)=O ZINC001117274857 775946487 /nfs/dbraw/zinc/94/64/87/775946487.db2.gz LLAXBYNUWLDKER-JTQLQIEISA-N 1 1 320.415 -1.748 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@](F)(CO)C1 ZINC001117360281 775952022 /nfs/dbraw/zinc/95/20/22/775952022.db2.gz VQJVBHRTCCQCJK-RISCZKNCSA-N 1 1 316.377 -1.719 20 0 DAADMO NC(=O)C(=O)NCc1cnn2c1C[N@H+](C[C@H]1CCOC1)CC2 ZINC001128470477 775952355 /nfs/dbraw/zinc/95/23/55/775952355.db2.gz FWSMJDVUSIDDPM-SNVBAGLBSA-N 1 1 307.354 -1.163 20 0 DAADMO NC(=O)C(=O)NCc1cnn2c1C[N@@H+](C[C@H]1CCOC1)CC2 ZINC001128470477 775952367 /nfs/dbraw/zinc/95/23/67/775952367.db2.gz FWSMJDVUSIDDPM-SNVBAGLBSA-N 1 1 307.354 -1.163 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@](F)(CO)C1 ZINC001117360282 775952406 /nfs/dbraw/zinc/95/24/06/775952406.db2.gz VQJVBHRTCCQCJK-SMDDNHRTSA-N 1 1 316.377 -1.719 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030818 775953603 /nfs/dbraw/zinc/95/36/03/775953603.db2.gz MHMRAYGBJSMODZ-WDEREUQCSA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030818 775953612 /nfs/dbraw/zinc/95/36/12/775953612.db2.gz MHMRAYGBJSMODZ-WDEREUQCSA-N 1 1 313.354 -1.486 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090031692 775954321 /nfs/dbraw/zinc/95/43/21/775954321.db2.gz OYNHFXGYEIOIIJ-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)[C@@H](O)C1 ZINC001090031692 775954331 /nfs/dbraw/zinc/95/43/31/775954331.db2.gz OYNHFXGYEIOIIJ-JQWIXIFHSA-N 1 1 307.354 -1.270 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001090055458 775958200 /nfs/dbraw/zinc/95/82/00/775958200.db2.gz SLJZCCXIENHWHA-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055203 775958581 /nfs/dbraw/zinc/95/85/81/775958581.db2.gz PPQPMPQXDNZMNB-NXEZZACHSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055203 775958588 /nfs/dbraw/zinc/95/85/88/775958588.db2.gz PPQPMPQXDNZMNB-NXEZZACHSA-N 1 1 311.346 -2.687 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001090053933 775958610 /nfs/dbraw/zinc/95/86/10/775958610.db2.gz GFZPSBVWTSLXMF-XTYQLPPYSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](C/C=C/Cl)C[C@H]1O ZINC001090053933 775958622 /nfs/dbraw/zinc/95/86/22/775958622.db2.gz GFZPSBVWTSLXMF-XTYQLPPYSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001090055677 775959146 /nfs/dbraw/zinc/95/91/46/775959146.db2.gz XCIFWQUULZRRSI-QWHCGFSZSA-N 1 1 324.385 -1.206 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054068 775959191 /nfs/dbraw/zinc/95/91/91/775959191.db2.gz HBWYVPNIMWFJAO-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090054068 775959204 /nfs/dbraw/zinc/95/92/04/775959204.db2.gz HBWYVPNIMWFJAO-VXGBXAGGSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090055457 775959613 /nfs/dbraw/zinc/95/96/13/775959613.db2.gz SLJZCCXIENHWHA-RYUDHWBXSA-N 1 1 320.357 -1.879 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056237 775960748 /nfs/dbraw/zinc/96/07/48/775960748.db2.gz FHADJCIGNKILCZ-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056237 775960761 /nfs/dbraw/zinc/96/07/61/775960761.db2.gz FHADJCIGNKILCZ-NEPJUHHUSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056621 775961311 /nfs/dbraw/zinc/96/13/11/775961311.db2.gz HBGRFBCPPDZUCJ-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056621 775961320 /nfs/dbraw/zinc/96/13/20/775961320.db2.gz HBGRFBCPPDZUCJ-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090057150 775961351 /nfs/dbraw/zinc/96/13/51/775961351.db2.gz JTPRFUNDPFUBHC-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)[C@H](O)C2)cn1 ZINC001090057150 775961361 /nfs/dbraw/zinc/96/13/61/775961361.db2.gz JTPRFUNDPFUBHC-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001090055682 775961428 /nfs/dbraw/zinc/96/14/28/775961428.db2.gz XDPOFWRIMNGGQD-WDEREUQCSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001090055682 775961439 /nfs/dbraw/zinc/96/14/39/775961439.db2.gz XDPOFWRIMNGGQD-WDEREUQCSA-N 1 1 323.382 -1.119 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001099651597 775961477 /nfs/dbraw/zinc/96/14/77/775961477.db2.gz VUHBSOKBCKAGSU-NXEZZACHSA-N 1 1 311.346 -2.502 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056239 775961563 /nfs/dbraw/zinc/96/15/63/775961563.db2.gz FHADJCIGNKILCZ-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090056239 775961572 /nfs/dbraw/zinc/96/15/72/775961572.db2.gz FHADJCIGNKILCZ-RYUDHWBXSA-N 1 1 320.357 -1.842 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099651598 775962658 /nfs/dbraw/zinc/96/26/58/775962658.db2.gz VUHBSOKBCKAGSU-UWVGGRQHSA-N 1 1 311.346 -2.502 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001099651600 775963129 /nfs/dbraw/zinc/96/31/29/775963129.db2.gz VUHBSOKBCKAGSU-ZJUUUORDSA-N 1 1 311.346 -2.502 20 0 DAADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099652040 775963310 /nfs/dbraw/zinc/96/33/10/775963310.db2.gz XNXSKKIAAASNSL-MNOVXSKESA-N 1 1 302.375 -1.367 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)cn1 ZINC001090059203 775963386 /nfs/dbraw/zinc/96/33/86/775963386.db2.gz FDZXFAZUAFBNEY-CHWSQXEVSA-N 1 1 319.369 -1.123 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090072825 775964915 /nfs/dbraw/zinc/96/49/15/775964915.db2.gz MGANQHVFLKTRQP-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1cccn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090072825 775964925 /nfs/dbraw/zinc/96/49/25/775964925.db2.gz MGANQHVFLKTRQP-OLZOCXBDSA-N 1 1 321.381 -1.333 20 0 DAADMO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)c(=O)c1 ZINC001083825346 775967203 /nfs/dbraw/zinc/96/72/03/775967203.db2.gz OFRQSTUKBDHROU-UPJWGTAASA-N 1 1 309.366 -1.301 20 0 DAADMO CNC(=O)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083823099 775967726 /nfs/dbraw/zinc/96/77/26/775967726.db2.gz HBKKQMJRAAUNBY-NEPJUHHUSA-N 1 1 323.397 -1.086 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1ncn[nH]1)N1CCNC(=O)C1 ZINC001168731024 775969252 /nfs/dbraw/zinc/96/92/52/775969252.db2.gz CDDXLMTZDXDLTN-UHFFFAOYSA-N 1 1 309.330 -2.527 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1nc[nH]n1)N1CCNC(=O)C1 ZINC001168731024 775969261 /nfs/dbraw/zinc/96/92/61/775969261.db2.gz CDDXLMTZDXDLTN-UHFFFAOYSA-N 1 1 309.330 -2.527 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168732221 775970136 /nfs/dbraw/zinc/97/01/36/775970136.db2.gz ZNZVCZYYXWPJJK-QWRGUYRKSA-N 1 1 315.374 -1.073 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168732221 775970138 /nfs/dbraw/zinc/97/01/38/775970138.db2.gz ZNZVCZYYXWPJJK-QWRGUYRKSA-N 1 1 315.374 -1.073 20 0 DAADMO CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001083828129 775970618 /nfs/dbraw/zinc/97/06/18/775970618.db2.gz CCGVWNXMFBBLCQ-NEPJUHHUSA-N 1 1 324.381 -1.341 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033096195 775970726 /nfs/dbraw/zinc/97/07/26/775970726.db2.gz KSPIYNITBRJYBP-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095818 775970968 /nfs/dbraw/zinc/97/09/68/775970968.db2.gz GBXSUNAUYXJRLL-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095593 775971360 /nfs/dbraw/zinc/97/13/60/775971360.db2.gz BMRRXTLUVOISOH-WDEREUQCSA-N 1 1 324.385 -1.055 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c(=O)n(C)c1=O ZINC001083828171 775971423 /nfs/dbraw/zinc/97/14/23/775971423.db2.gz DXTILOJFGKAVIG-NEPJUHHUSA-N 1 1 322.365 -1.731 20 0 DAADMO COCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001033095765 775971801 /nfs/dbraw/zinc/97/18/01/775971801.db2.gz DXHQCINXFQMPCA-SNVBAGLBSA-N 1 1 310.358 -1.444 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168731497 775971964 /nfs/dbraw/zinc/97/19/64/775971964.db2.gz MDAVOIMFBHKZFH-UHFFFAOYSA-N 1 1 318.403 -1.156 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168731497 775971970 /nfs/dbraw/zinc/97/19/70/775971970.db2.gz MDAVOIMFBHKZFH-UHFFFAOYSA-N 1 1 318.403 -1.156 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083838386 775974717 /nfs/dbraw/zinc/97/47/17/775974717.db2.gz SCWIYUHZJDYAJF-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083838386 775974728 /nfs/dbraw/zinc/97/47/28/775974728.db2.gz SCWIYUHZJDYAJF-XQQFMLRXSA-N 1 1 313.398 -1.211 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cncc(N2CCCC2)n1 ZINC001083836245 775975380 /nfs/dbraw/zinc/97/53/80/775975380.db2.gz QPYAZWWOBLMCNC-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cncc(N2CCCC2)n1 ZINC001083836245 775975389 /nfs/dbraw/zinc/97/53/89/775975389.db2.gz QPYAZWWOBLMCNC-OLZOCXBDSA-N 1 1 321.381 -1.156 20 0 DAADMO CN(C)C(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070169 775976635 /nfs/dbraw/zinc/97/66/35/775976635.db2.gz UBJNMNAEULGONL-HZSPNIEDSA-N 1 1 324.425 -1.184 20 0 DAADMO COCCOCN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069036 775978298 /nfs/dbraw/zinc/97/82/98/775978298.db2.gz FHROQMHTXJXXPA-CYBMUJFWSA-N 1 1 313.398 -1.182 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168738593 775981675 /nfs/dbraw/zinc/98/16/75/775981675.db2.gz HCJZGBOZLYLOJR-UHFFFAOYSA-N 1 1 318.403 -1.204 20 0 DAADMO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168738593 775981677 /nfs/dbraw/zinc/98/16/77/775981677.db2.gz HCJZGBOZLYLOJR-UHFFFAOYSA-N 1 1 318.403 -1.204 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083749 775982943 /nfs/dbraw/zinc/98/29/43/775982943.db2.gz DIXCTNOSLGZRAB-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083749 775982948 /nfs/dbraw/zinc/98/29/48/775982948.db2.gz DIXCTNOSLGZRAB-NHYWBVRUSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083755 775983125 /nfs/dbraw/zinc/98/31/25/775983125.db2.gz DIXCTNOSLGZRAB-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108083755 775983129 /nfs/dbraw/zinc/98/31/29/775983129.db2.gz DIXCTNOSLGZRAB-XHDPSFHLSA-N 1 1 324.381 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC001090117470 775986697 /nfs/dbraw/zinc/98/66/97/775986697.db2.gz BVZIZBNGZHNABD-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n(C)n1 ZINC001090117470 775986702 /nfs/dbraw/zinc/98/67/02/775986702.db2.gz BVZIZBNGZHNABD-YPMHNXCESA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)on1 ZINC001099666218 775987558 /nfs/dbraw/zinc/98/75/58/775987558.db2.gz RSSXMHCMWPDTTQ-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C2)on1 ZINC001099666218 775987566 /nfs/dbraw/zinc/98/75/66/775987566.db2.gz RSSXMHCMWPDTTQ-WDEREUQCSA-N 1 1 311.342 -1.297 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666333 775987673 /nfs/dbraw/zinc/98/76/73/775987673.db2.gz UKXZBDZLKPHPKA-VHSXEESVSA-N 1 1 315.374 -2.269 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666333 775987682 /nfs/dbraw/zinc/98/76/82/775987682.db2.gz UKXZBDZLKPHPKA-VHSXEESVSA-N 1 1 315.374 -2.269 20 0 DAADMO CNS(=O)(=O)NCC(=O)NC[C@@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108097878 775989594 /nfs/dbraw/zinc/98/95/94/775989594.db2.gz NLRBEOSOKRYAIC-LBPRGKRZSA-N 1 1 322.431 -1.344 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@@H](O)C1 ZINC001083853314 775990766 /nfs/dbraw/zinc/99/07/66/775990766.db2.gz NMGSGJNEVXULJE-OUAUKWLOSA-N 1 1 305.400 -1.408 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)S1(=O)=O ZINC001083852905 775990830 /nfs/dbraw/zinc/99/08/30/775990830.db2.gz RLIXQPRZPSXMQB-WOPDTQHZSA-N 1 1 317.411 -1.408 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)S1(=O)=O ZINC001083853052 775991455 /nfs/dbraw/zinc/99/14/55/775991455.db2.gz ZLQUNNRVSTYETD-VWYCJHECSA-N 1 1 323.390 -1.459 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)S1(=O)=O ZINC001083853052 775991459 /nfs/dbraw/zinc/99/14/59/775991459.db2.gz ZLQUNNRVSTYETD-VWYCJHECSA-N 1 1 323.390 -1.459 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090130730 775991526 /nfs/dbraw/zinc/99/15/26/775991526.db2.gz ZZWRLMMBGJBPAF-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090130730 775991532 /nfs/dbraw/zinc/99/15/32/775991532.db2.gz ZZWRLMMBGJBPAF-CHWSQXEVSA-N 1 1 323.397 -1.018 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(OC)no1 ZINC001128601507 775992941 /nfs/dbraw/zinc/99/29/41/775992941.db2.gz VGLCGBAOGXQNQP-UHFFFAOYSA-N 1 1 320.371 -1.172 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001128600658 775993624 /nfs/dbraw/zinc/99/36/24/775993624.db2.gz DBXRJQWVEXBEAJ-QMMMGPOBSA-N 1 1 318.403 -1.181 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001128607869 775995594 /nfs/dbraw/zinc/99/55/94/775995594.db2.gz QDHLAIPPBXCGMO-AEJSXWLSSA-N 1 1 319.312 -1.108 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(F)F)[C@@H](n2ccnn2)C1 ZINC001128607869 775995604 /nfs/dbraw/zinc/99/56/04/775995604.db2.gz QDHLAIPPBXCGMO-AEJSXWLSSA-N 1 1 319.312 -1.108 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN(C)S(C)(=O)=O)c1nncn1C ZINC001128604297 775996212 /nfs/dbraw/zinc/99/62/12/775996212.db2.gz UVOIWESCFPTEDH-VIFPVBQESA-N 1 1 318.403 -1.527 20 0 DAADMO CN(CC(=O)NCC[NH2+]Cc1cnn(C)n1)S(C)(=O)=O ZINC001128603247 775996360 /nfs/dbraw/zinc/99/63/60/775996360.db2.gz CUVOTJATHOQLAI-UHFFFAOYSA-N 1 1 304.376 -2.088 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)s1 ZINC001128603892 775997287 /nfs/dbraw/zinc/99/72/87/775997287.db2.gz PIWXDUGENIWSHZ-UHFFFAOYSA-N 1 1 321.428 -1.056 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN(C)S(C)(=O)=O)c1nnnn1C ZINC001128603344 775997359 /nfs/dbraw/zinc/99/73/59/775997359.db2.gz GBDJPPGRPFCCHA-QMMMGPOBSA-N 1 1 319.391 -2.132 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O)nn1 ZINC001128609101 775998683 /nfs/dbraw/zinc/99/86/83/775998683.db2.gz NXZHJRTWKGFPRT-UHFFFAOYSA-N 1 1 318.403 -1.605 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128612996 775998944 /nfs/dbraw/zinc/99/89/44/775998944.db2.gz YMTORQWVEASEDI-NEPJUHHUSA-N 1 1 313.358 -1.725 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001128612996 775998950 /nfs/dbraw/zinc/99/89/50/775998950.db2.gz YMTORQWVEASEDI-NEPJUHHUSA-N 1 1 313.358 -1.725 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001128612823 775999006 /nfs/dbraw/zinc/99/90/06/775999006.db2.gz USPMHCHOSYZYNN-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001128612823 775999014 /nfs/dbraw/zinc/99/90/14/775999014.db2.gz USPMHCHOSYZYNN-NEPJUHHUSA-N 1 1 320.357 -1.442 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001090136339 775999885 /nfs/dbraw/zinc/99/98/85/775999885.db2.gz DTPCULUGLIUGHP-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001090136339 775999894 /nfs/dbraw/zinc/99/98/94/775999894.db2.gz DTPCULUGLIUGHP-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN(C)C(=O)C1CC1)c1nnnn1C ZINC001128619565 776000716 /nfs/dbraw/zinc/00/07/16/776000716.db2.gz ZTEHCUACSAQESA-VIFPVBQESA-N 1 1 309.374 -1.155 20 0 DAADMO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1cc(OC)no1 ZINC001128619097 776000749 /nfs/dbraw/zinc/00/07/49/776000749.db2.gz NPNDQTNTPUYRQR-UHFFFAOYSA-N 1 1 314.342 -1.006 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN(C)C(=O)C1CC1)c1nnnn1C ZINC001128619564 776001326 /nfs/dbraw/zinc/00/13/26/776001326.db2.gz ZTEHCUACSAQESA-SECBINFHSA-N 1 1 309.374 -1.155 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128647194 776002473 /nfs/dbraw/zinc/00/24/73/776002473.db2.gz PTMOGWHFEYRSST-NEPJUHHUSA-N 1 1 310.358 -1.598 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128647194 776002480 /nfs/dbraw/zinc/00/24/80/776002480.db2.gz PTMOGWHFEYRSST-NEPJUHHUSA-N 1 1 310.358 -1.598 20 0 DAADMO COCCC[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128646657 776003651 /nfs/dbraw/zinc/00/36/51/776003651.db2.gz DGBIVWFBNNWVQT-OLZOCXBDSA-N 1 1 324.385 -1.208 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH2+]Cc2nncn2C)CC1=O ZINC001128651407 776004816 /nfs/dbraw/zinc/00/48/16/776004816.db2.gz VFAGCUWZXVDFMF-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128652626 776005730 /nfs/dbraw/zinc/00/57/30/776005730.db2.gz MXAGJJPDPJUMJO-JLLWLGSASA-N 1 1 310.358 -1.864 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128652626 776005742 /nfs/dbraw/zinc/00/57/42/776005742.db2.gz MXAGJJPDPJUMJO-JLLWLGSASA-N 1 1 310.358 -1.864 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128653332 776005894 /nfs/dbraw/zinc/00/58/94/776005894.db2.gz XGLRZFHYOUMMOQ-UHTWSYAYSA-N 1 1 324.385 -1.209 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128653332 776005902 /nfs/dbraw/zinc/00/59/02/776005902.db2.gz XGLRZFHYOUMMOQ-UHTWSYAYSA-N 1 1 324.385 -1.209 20 0 DAADMO CCN1C[C@H](C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CC1=O ZINC001128649706 776005980 /nfs/dbraw/zinc/00/59/80/776005980.db2.gz GGPOTRIEZRVJQL-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO CC(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083854196 776007745 /nfs/dbraw/zinc/00/77/45/776007745.db2.gz HFLLYSFOTFYLLQ-MJBXVCDLSA-N 1 1 313.398 -1.069 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCNC(=O)COC)nn1 ZINC001128691026 776008929 /nfs/dbraw/zinc/00/89/29/776008929.db2.gz CAMGDASYVMESJA-UHFFFAOYSA-N 1 1 312.374 -1.344 20 0 DAADMO COCC(=O)NCCC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001128691337 776009771 /nfs/dbraw/zinc/00/97/71/776009771.db2.gz HXRSQOMQUBYGTN-SECBINFHSA-N 1 1 313.362 -1.870 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001083856754 776015338 /nfs/dbraw/zinc/01/53/38/776015338.db2.gz NXBONWMZNMVCEJ-APPZFPTMSA-N 1 1 324.366 -1.305 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1csc(-c2nc[nH]n2)n1 ZINC001083856754 776015345 /nfs/dbraw/zinc/01/53/45/776015345.db2.gz NXBONWMZNMVCEJ-APPZFPTMSA-N 1 1 324.366 -1.305 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCC[NH2+]Cc2cscn2)c1=O ZINC001128768843 776016863 /nfs/dbraw/zinc/01/68/63/776016863.db2.gz CVUJUVMIQDQBOW-UHFFFAOYSA-N 1 1 323.378 -1.091 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763887 776017821 /nfs/dbraw/zinc/01/78/21/776017821.db2.gz LMUBHKVYCFXWIO-UHFFFAOYSA-N 1 1 321.341 -2.419 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)n(C)c2=O)no1 ZINC001128763868 776017989 /nfs/dbraw/zinc/01/79/89/776017989.db2.gz KGMUSPXHNAQBIK-UHFFFAOYSA-N 1 1 321.337 -1.251 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858758 776019101 /nfs/dbraw/zinc/01/91/01/776019101.db2.gz RHBZFWWUAHTJNI-IEBDPFPHSA-N 1 1 313.354 -1.765 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858914 776021012 /nfs/dbraw/zinc/02/10/12/776021012.db2.gz YHKVRSCPONGONB-GDPRMGEGSA-N 1 1 313.354 -1.765 20 0 DAADMO CNC(=O)NCC(=O)NCC[NH2+]Cc1noc2c1COCC2 ZINC001128795785 776023600 /nfs/dbraw/zinc/02/36/00/776023600.db2.gz UZLDWTQZQIVCJN-UHFFFAOYSA-N 1 1 311.342 -1.118 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)n1 ZINC001128814005 776025442 /nfs/dbraw/zinc/02/54/42/776025442.db2.gz JLUQIFRUIHCRQM-UHFFFAOYSA-N 1 1 316.387 -1.944 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)CN2CCCS2(=O)=O)n1 ZINC001128814007 776026166 /nfs/dbraw/zinc/02/61/66/776026166.db2.gz JPPJVRKFJPMELQ-UHFFFAOYSA-N 1 1 315.399 -1.339 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090187961 776027355 /nfs/dbraw/zinc/02/73/55/776027355.db2.gz BQGQGAWKAUABNW-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090187961 776027365 /nfs/dbraw/zinc/02/73/65/776027365.db2.gz BQGQGAWKAUABNW-JQWIXIFHSA-N 1 1 309.370 -1.327 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128833859 776027386 /nfs/dbraw/zinc/02/73/86/776027386.db2.gz FGFJTHRTSJGGBI-TUAOUCFPSA-N 1 1 324.385 -1.473 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090187962 776027804 /nfs/dbraw/zinc/02/78/04/776027804.db2.gz BQGQGAWKAUABNW-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@@H](O)C1 ZINC001090187962 776027814 /nfs/dbraw/zinc/02/78/14/776027814.db2.gz BQGQGAWKAUABNW-PWSUYJOCSA-N 1 1 309.370 -1.327 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCNC(=O)C2)C[N@H+](CCO)CCO1 ZINC001108117890 776029278 /nfs/dbraw/zinc/02/92/78/776029278.db2.gz OFXOMOACXPQDMX-CQSZACIVSA-N 1 1 314.386 -2.382 20 0 DAADMO C[C@@]1(CNC(=O)CN2CCNC(=O)C2)C[N@@H+](CCO)CCO1 ZINC001108117890 776029286 /nfs/dbraw/zinc/02/92/86/776029286.db2.gz OFXOMOACXPQDMX-CQSZACIVSA-N 1 1 314.386 -2.382 20 0 DAADMO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128861403 776030514 /nfs/dbraw/zinc/03/05/14/776030514.db2.gz XBTWGURBOYVHIT-MXWKQRLJSA-N 1 1 310.358 -1.470 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1)OC ZINC001128861134 776030696 /nfs/dbraw/zinc/03/06/96/776030696.db2.gz UXZYXLVMKQOKHR-UTUOFQBUSA-N 1 1 324.385 -1.080 20 0 DAADMO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)c1 ZINC001090197991 776031782 /nfs/dbraw/zinc/03/17/82/776031782.db2.gz SJWMFLBWQQTVJF-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccc2n[nH]nc2n1)c1nnnn1C ZINC001128879841 776031941 /nfs/dbraw/zinc/03/19/41/776031941.db2.gz MHLIUVTUSITCCS-ZETCQYMHSA-N 1 1 316.329 -1.043 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCCO)CCO2)NC1=O ZINC001108120017 776032185 /nfs/dbraw/zinc/03/21/85/776032185.db2.gz VJMOGMNLJMPHNT-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCCO)CCO2)NC1=O ZINC001108120017 776032193 /nfs/dbraw/zinc/03/21/93/776032193.db2.gz VJMOGMNLJMPHNT-SMDDNHRTSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083860210 776033042 /nfs/dbraw/zinc/03/30/42/776033042.db2.gz FPUPHUQFJMMZGQ-MNOVXSKESA-N 1 1 306.330 -2.118 20 0 DAADMO Cn1ncc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001083860210 776033049 /nfs/dbraw/zinc/03/30/49/776033049.db2.gz FPUPHUQFJMMZGQ-MNOVXSKESA-N 1 1 306.330 -2.118 20 0 DAADMO COc1nc(C)ncc1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001128915119 776034276 /nfs/dbraw/zinc/03/42/76/776034276.db2.gz USKRDBKZRTZMFR-UHFFFAOYSA-N 1 1 306.330 -1.163 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090204099 776034327 /nfs/dbraw/zinc/03/43/27/776034327.db2.gz MTNMWYMVZZNXDJ-CHWSQXEVSA-N 1 1 301.387 -1.484 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090203826 776035080 /nfs/dbraw/zinc/03/50/80/776035080.db2.gz JZNPOMGIHRGHON-OLZOCXBDSA-N 1 1 301.387 -1.748 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001128938831 776036116 /nfs/dbraw/zinc/03/61/16/776036116.db2.gz AWAILCKNSLXVAL-TUAOUCFPSA-N 1 1 324.385 -1.209 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090210180 776036562 /nfs/dbraw/zinc/03/65/62/776036562.db2.gz LILBXGBGBOOXPN-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1 ZINC001090210180 776036571 /nfs/dbraw/zinc/03/65/71/776036571.db2.gz LILBXGBGBOOXPN-NEPJUHHUSA-N 1 1 307.354 -1.270 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128929519 776036924 /nfs/dbraw/zinc/03/69/24/776036924.db2.gz JZDVYUCBPCHXMM-MNOVXSKESA-N 1 1 310.358 -1.862 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001128929519 776036930 /nfs/dbraw/zinc/03/69/30/776036930.db2.gz JZDVYUCBPCHXMM-MNOVXSKESA-N 1 1 310.358 -1.862 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128944545 776037336 /nfs/dbraw/zinc/03/73/36/776037336.db2.gz BYNJAZXZQAEIFN-MNOVXSKESA-N 1 1 310.358 -1.862 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cncnc1 ZINC001090215666 776038451 /nfs/dbraw/zinc/03/84/51/776038451.db2.gz IAVKFYHCJOBUFE-QWHCGFSZSA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001090217680 776038585 /nfs/dbraw/zinc/03/85/85/776038585.db2.gz RMVWHIWEYWGBLB-GHMZBOCLSA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC001090217680 776038590 /nfs/dbraw/zinc/03/85/90/776038590.db2.gz RMVWHIWEYWGBLB-GHMZBOCLSA-N 1 1 324.385 -1.745 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1cncnc1 ZINC001090215665 776038931 /nfs/dbraw/zinc/03/89/31/776038931.db2.gz IAVKFYHCJOBUFE-OLZOCXBDSA-N 1 1 317.353 -1.067 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128967152 776039202 /nfs/dbraw/zinc/03/92/02/776039202.db2.gz DARCQOXIGWKMTM-UHFFFAOYSA-N 1 1 303.388 -1.403 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1)N1CCC1 ZINC001090216114 776039701 /nfs/dbraw/zinc/03/97/01/776039701.db2.gz LJHOXMGVFLYEJM-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](O)C1)N1CCC1 ZINC001090216114 776039708 /nfs/dbraw/zinc/03/97/08/776039708.db2.gz LJHOXMGVFLYEJM-OLZOCXBDSA-N 1 1 319.365 -1.126 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090217687 776039760 /nfs/dbraw/zinc/03/97/60/776039760.db2.gz RMVWHIWEYWGBLB-MNOVXSKESA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001090217687 776039769 /nfs/dbraw/zinc/03/97/69/776039769.db2.gz RMVWHIWEYWGBLB-MNOVXSKESA-N 1 1 324.385 -1.745 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090229607 776040952 /nfs/dbraw/zinc/04/09/52/776040952.db2.gz CZRWXKMKTZMEIJ-QWHCGFSZSA-N 1 1 321.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090229607 776040964 /nfs/dbraw/zinc/04/09/64/776040964.db2.gz CZRWXKMKTZMEIJ-QWHCGFSZSA-N 1 1 321.381 -1.341 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCc1cnc[nH]1 ZINC001128972676 776041115 /nfs/dbraw/zinc/04/11/15/776041115.db2.gz HFXFRGJKVJWMOH-UHFFFAOYSA-N 1 1 317.415 -1.013 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090227002 776041601 /nfs/dbraw/zinc/04/16/01/776041601.db2.gz FSNLDJVTGMAOBK-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001090227002 776041604 /nfs/dbraw/zinc/04/16/04/776041604.db2.gz FSNLDJVTGMAOBK-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090229603 776041662 /nfs/dbraw/zinc/04/16/62/776041662.db2.gz CZRWXKMKTZMEIJ-CHWSQXEVSA-N 1 1 321.381 -1.341 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1 ZINC001090229603 776041669 /nfs/dbraw/zinc/04/16/69/776041669.db2.gz CZRWXKMKTZMEIJ-CHWSQXEVSA-N 1 1 321.381 -1.341 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090228760 776043206 /nfs/dbraw/zinc/04/32/06/776043206.db2.gz UBKWPBQIWXQKNN-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cn(C)nn3)[C@@H](O)C2)cn1 ZINC001090228760 776043214 /nfs/dbraw/zinc/04/32/14/776043214.db2.gz UBKWPBQIWXQKNN-YPMHNXCESA-N 1 1 319.369 -1.086 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090238298 776043984 /nfs/dbraw/zinc/04/39/84/776043984.db2.gz WNTCFOPUPNZUJN-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001090238298 776043987 /nfs/dbraw/zinc/04/39/87/776043987.db2.gz WNTCFOPUPNZUJN-KOLCDFICSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090241564 776045302 /nfs/dbraw/zinc/04/53/02/776045302.db2.gz SYZHLTGMMFXCMB-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090241564 776045309 /nfs/dbraw/zinc/04/53/09/776045309.db2.gz SYZHLTGMMFXCMB-PWSUYJOCSA-N 1 1 322.369 -1.788 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@H]2O)nn1 ZINC001090240643 776045542 /nfs/dbraw/zinc/04/55/42/776045542.db2.gz MCFLMQLIRQUMGI-DGCLKSJQSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001090240645 776045763 /nfs/dbraw/zinc/04/57/63/776045763.db2.gz MCFLMQLIRQUMGI-YPMHNXCESA-N 1 1 319.369 -1.123 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090250062 776048731 /nfs/dbraw/zinc/04/87/31/776048731.db2.gz VUWSYGWWEXWRPH-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090250062 776048736 /nfs/dbraw/zinc/04/87/36/776048736.db2.gz VUWSYGWWEXWRPH-ZYHUDNBSSA-N 1 1 324.385 -1.449 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090249196 776048811 /nfs/dbraw/zinc/04/88/11/776048811.db2.gz MVSRKSOPYIKKBC-QWRGUYRKSA-N 1 1 307.354 -1.193 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1)N1CCC1 ZINC001090249196 776048815 /nfs/dbraw/zinc/04/88/15/776048815.db2.gz MVSRKSOPYIKKBC-QWRGUYRKSA-N 1 1 307.354 -1.193 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001129037924 776050796 /nfs/dbraw/zinc/05/07/96/776050796.db2.gz GQQPNVVVFGTMKO-NEPJUHHUSA-N 1 1 324.385 -1.208 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)o1 ZINC001083865814 776050948 /nfs/dbraw/zinc/05/09/48/776050948.db2.gz XXGLIZVINPXUIC-NEPJUHHUSA-N 1 1 311.338 -1.317 20 0 DAADMO CC(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)o1 ZINC001083865814 776050954 /nfs/dbraw/zinc/05/09/54/776050954.db2.gz XXGLIZVINPXUIC-NEPJUHHUSA-N 1 1 311.338 -1.317 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129154151 776053034 /nfs/dbraw/zinc/05/30/34/776053034.db2.gz LXBVEXMNQOCOKF-TUAOUCFPSA-N 1 1 324.385 -1.487 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210328 776053906 /nfs/dbraw/zinc/05/39/06/776053906.db2.gz RAGZEWHDNNVOSJ-MNOVXSKESA-N 1 1 310.358 -1.470 20 0 DAADMO CC(C)OCC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210328 776053915 /nfs/dbraw/zinc/05/39/15/776053915.db2.gz RAGZEWHDNNVOSJ-MNOVXSKESA-N 1 1 310.358 -1.470 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129209931 776053954 /nfs/dbraw/zinc/05/39/54/776053954.db2.gz LKAGKDPBSDBTAF-NEPJUHHUSA-N 1 1 322.369 -1.469 20 0 DAADMO NC(=O)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129209931 776053960 /nfs/dbraw/zinc/05/39/60/776053960.db2.gz LKAGKDPBSDBTAF-NEPJUHHUSA-N 1 1 322.369 -1.469 20 0 DAADMO CO[C@H]1COCC[C@H]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001129213040 776054290 /nfs/dbraw/zinc/05/42/90/776054290.db2.gz LCCMJKCKDLJDIG-QWRGUYRKSA-N 1 1 312.374 -1.143 20 0 DAADMO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868852 776055982 /nfs/dbraw/zinc/05/59/82/776055982.db2.gz AYQQRUFLYUOOTC-AEJSXWLSSA-N 1 1 316.333 -1.552 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1)c1nnnn1C ZINC001129254637 776056738 /nfs/dbraw/zinc/05/67/38/776056738.db2.gz BPLZPQVWJFLWPZ-NXEZZACHSA-N 1 1 309.374 -1.107 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001083869410 776056861 /nfs/dbraw/zinc/05/68/61/776056861.db2.gz CKOPEFMTPMYOTJ-NEPJUHHUSA-N 1 1 310.354 -1.580 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083868950 776057086 /nfs/dbraw/zinc/05/70/86/776057086.db2.gz GJCQJUNPLQGLPV-YIZRAAEISA-N 1 1 300.315 -2.920 20 0 DAADMO CC1CC(C[N@@H+]2C[C@@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](O)C2)C1 ZINC001083869042 776057246 /nfs/dbraw/zinc/05/72/46/776057246.db2.gz KYUAAEDTBMGTGL-HCWSGVFWSA-N 1 1 324.381 -1.254 20 0 DAADMO CCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)ccc1=O ZINC001083871520 776058356 /nfs/dbraw/zinc/05/83/56/776058356.db2.gz WOSOJOXESTZIAG-JLLWLGSASA-N 1 1 310.354 -1.581 20 0 DAADMO COCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108166871 776058577 /nfs/dbraw/zinc/05/85/77/776058577.db2.gz GEWNFYXGVWPJIP-RISCZKNCSA-N 1 1 314.386 -1.089 20 0 DAADMO Cc1cccn(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001090263121 776058612 /nfs/dbraw/zinc/05/86/12/776058612.db2.gz BTEHYKORWJLZFH-STQMWFEESA-N 1 1 309.366 -1.300 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC001083874323 776062001 /nfs/dbraw/zinc/06/20/01/776062001.db2.gz RJUCUHMUDSIPAF-MXWKQRLJSA-N 1 1 321.341 -2.163 20 0 DAADMO CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108169574 776062595 /nfs/dbraw/zinc/06/25/95/776062595.db2.gz RICAPZOMFWMSEL-RISCZKNCSA-N 1 1 314.386 -1.089 20 0 DAADMO CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108169574 776062602 /nfs/dbraw/zinc/06/26/02/776062602.db2.gz RICAPZOMFWMSEL-RISCZKNCSA-N 1 1 314.386 -1.089 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1O ZINC001090267298 776063541 /nfs/dbraw/zinc/06/35/41/776063541.db2.gz APUHZNYBCMJCQF-GHMZBOCLSA-N 1 1 323.382 -1.119 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1O ZINC001090267298 776063542 /nfs/dbraw/zinc/06/35/42/776063542.db2.gz APUHZNYBCMJCQF-GHMZBOCLSA-N 1 1 323.382 -1.119 20 0 DAADMO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)on1 ZINC001090267378 776063682 /nfs/dbraw/zinc/06/36/82/776063682.db2.gz BEZUBABTMFUYPZ-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)[C@@H](O)C2)on1 ZINC001090267378 776063685 /nfs/dbraw/zinc/06/36/85/776063685.db2.gz BEZUBABTMFUYPZ-RYUDHWBXSA-N 1 1 321.341 -1.279 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001090267708 776064275 /nfs/dbraw/zinc/06/42/75/776064275.db2.gz CJCZZSBQCIZWQS-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC001090267708 776064280 /nfs/dbraw/zinc/06/42/80/776064280.db2.gz CJCZZSBQCIZWQS-QWHCGFSZSA-N 1 1 317.353 -1.180 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267526 776064625 /nfs/dbraw/zinc/06/46/25/776064625.db2.gz BUVJFZWVKGNYGW-VHSXEESVSA-N 1 1 311.346 -2.687 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090267526 776064630 /nfs/dbraw/zinc/06/46/30/776064630.db2.gz BUVJFZWVKGNYGW-VHSXEESVSA-N 1 1 311.346 -2.687 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090267253 776065337 /nfs/dbraw/zinc/06/53/37/776065337.db2.gz AHVWDBWIFDKWRT-QWRGUYRKSA-N 1 1 321.345 -2.484 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001090268768 776066039 /nfs/dbraw/zinc/06/60/39/776066039.db2.gz OVTUTAUUNILJOB-XTYQLPPYSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C/C=C/Cl)C[C@H]1O ZINC001090268768 776066043 /nfs/dbraw/zinc/06/60/43/776066043.db2.gz OVTUTAUUNILJOB-XTYQLPPYSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001090268765 776066364 /nfs/dbraw/zinc/06/63/64/776066364.db2.gz OVTUTAUUNILJOB-AOXPZSFVSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001090268765 776066371 /nfs/dbraw/zinc/06/63/71/776066371.db2.gz OVTUTAUUNILJOB-AOXPZSFVSA-N 1 1 300.750 -1.023 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1cnon1 ZINC001083876541 776066656 /nfs/dbraw/zinc/06/66/56/776066656.db2.gz HBHVCFHLZNRDFZ-IEBDPFPHSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1cnon1 ZINC001083876541 776066663 /nfs/dbraw/zinc/06/66/63/776066663.db2.gz HBHVCFHLZNRDFZ-IEBDPFPHSA-N 1 1 319.325 -1.377 20 0 DAADMO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001090268386 776067109 /nfs/dbraw/zinc/06/71/09/776067109.db2.gz KIMVVSSSERXWEV-OLZOCXBDSA-N 1 1 324.385 -1.206 20 0 DAADMO CN(C)c1cnc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090270645 776069625 /nfs/dbraw/zinc/06/96/25/776069625.db2.gz YJVYAFBYPVYQLF-PWSUYJOCSA-N 1 1 309.370 -1.300 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270669 776070409 /nfs/dbraw/zinc/07/04/09/776070409.db2.gz YMESOOYCBJNQLO-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270669 776070412 /nfs/dbraw/zinc/07/04/12/776070412.db2.gz YMESOOYCBJNQLO-NWDGAFQWSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270673 776070495 /nfs/dbraw/zinc/07/04/95/776070495.db2.gz YMESOOYCBJNQLO-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090270673 776070498 /nfs/dbraw/zinc/07/04/98/776070498.db2.gz YMESOOYCBJNQLO-VXGBXAGGSA-N 1 1 320.357 -1.842 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cc2ncccn2n1 ZINC001083879629 776071402 /nfs/dbraw/zinc/07/14/02/776071402.db2.gz TZWRAMUNNDRLPX-NEPJUHHUSA-N 1 1 305.338 -1.113 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274465 776073507 /nfs/dbraw/zinc/07/35/07/776073507.db2.gz HNRMVZDJSNRKDS-NXEZZACHSA-N 1 1 310.358 -1.662 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099690380 776076519 /nfs/dbraw/zinc/07/65/19/776076519.db2.gz OCKKYZBCAWQIQR-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001099690380 776076524 /nfs/dbraw/zinc/07/65/24/776076524.db2.gz OCKKYZBCAWQIQR-KGLIPLIRSA-N 1 1 323.397 -1.050 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090277566 776076559 /nfs/dbraw/zinc/07/65/59/776076559.db2.gz VZXGLYVZVFMHSO-RKDXNWHRSA-N 1 1 312.330 -3.079 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001099690381 776076895 /nfs/dbraw/zinc/07/68/95/776076895.db2.gz OCKKYZBCAWQIQR-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001099690381 776076899 /nfs/dbraw/zinc/07/68/99/776076899.db2.gz OCKKYZBCAWQIQR-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)n1 ZINC001090277991 776076912 /nfs/dbraw/zinc/07/69/12/776076912.db2.gz ZNLFSDQBKMAAMX-DTWKUNHWSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)n1 ZINC001090277991 776076917 /nfs/dbraw/zinc/07/69/17/776076917.db2.gz ZNLFSDQBKMAAMX-DTWKUNHWSA-N 1 1 314.321 -2.102 20 0 DAADMO NC(=O)c1ncn(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)n1 ZINC001090277757 776077458 /nfs/dbraw/zinc/07/74/58/776077458.db2.gz YBOGFWGXYXIENM-QWRGUYRKSA-N 1 1 322.369 -1.662 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099690837 776078961 /nfs/dbraw/zinc/07/89/61/776078961.db2.gz VTZUKAORYYWRBC-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001099690837 776078967 /nfs/dbraw/zinc/07/89/67/776078967.db2.gz VTZUKAORYYWRBC-UONOGXRCSA-N 1 1 323.397 -1.050 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891255 776079877 /nfs/dbraw/zinc/07/98/77/776079877.db2.gz BMZZOTQMCYTLFC-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)C1=O ZINC001083891255 776079883 /nfs/dbraw/zinc/07/98/83/776079883.db2.gz BMZZOTQMCYTLFC-WOPDTQHZSA-N 1 1 321.381 -1.266 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)c(=O)n1 ZINC001083894522 776082048 /nfs/dbraw/zinc/08/20/48/776082048.db2.gz JQYCMTPWDQVMMW-OLZOCXBDSA-N 1 1 324.381 -1.596 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CCOC1 ZINC001083892888 776083451 /nfs/dbraw/zinc/08/34/51/776083451.db2.gz DIDGZMCUGXXIBF-MBNYWOFBSA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CCOC1 ZINC001083892888 776083458 /nfs/dbraw/zinc/08/34/58/776083458.db2.gz DIDGZMCUGXXIBF-MBNYWOFBSA-N 1 1 309.370 -1.134 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129312475 776085288 /nfs/dbraw/zinc/08/52/88/776085288.db2.gz FOELPOHYDJMCLL-TUAOUCFPSA-N 1 1 324.385 -1.521 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129316664 776085522 /nfs/dbraw/zinc/08/55/22/776085522.db2.gz PYPABOKCVZLAFO-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO O=C(CCc1cn[nH]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129316664 776085529 /nfs/dbraw/zinc/08/55/29/776085529.db2.gz PYPABOKCVZLAFO-OLZOCXBDSA-N 1 1 319.369 -1.032 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895010 776085541 /nfs/dbraw/zinc/08/55/41/776085541.db2.gz DMJGIICLEYMNRR-FXAINCCUSA-N 1 1 310.354 -1.077 20 0 DAADMO NC(=O)c1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2O)c1 ZINC001083895420 776086498 /nfs/dbraw/zinc/08/64/98/776086498.db2.gz WIEUNKBRQOZGPU-WQAKAFBOSA-N 1 1 322.365 -1.075 20 0 DAADMO Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083903150 776086583 /nfs/dbraw/zinc/08/65/83/776086583.db2.gz RKJWTFGIWMFOGV-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083903150 776086588 /nfs/dbraw/zinc/08/65/88/776086588.db2.gz RKJWTFGIWMFOGV-NEPJUHHUSA-N 1 1 305.338 -1.195 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001083899573 776086748 /nfs/dbraw/zinc/08/67/48/776086748.db2.gz LWSBOOVDLJHBLF-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)nn1 ZINC001083899573 776086754 /nfs/dbraw/zinc/08/67/54/776086754.db2.gz LWSBOOVDLJHBLF-YPMHNXCESA-N 1 1 319.369 -1.030 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](O)C1 ZINC001083896763 776087179 /nfs/dbraw/zinc/08/71/79/776087179.db2.gz QHRAYTFVKUCHKY-NDMJEZRESA-N 1 1 309.370 -1.156 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296614 776090406 /nfs/dbraw/zinc/09/04/06/776090406.db2.gz BOYNSZRRVXBGES-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090296614 776090408 /nfs/dbraw/zinc/09/04/08/776090408.db2.gz BOYNSZRRVXBGES-GHMZBOCLSA-N 1 1 310.358 -2.082 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090296024 776091153 /nfs/dbraw/zinc/09/11/53/776091153.db2.gz UYYNNWOCQHKXRQ-RYUDHWBXSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001090296024 776091166 /nfs/dbraw/zinc/09/11/66/776091166.db2.gz UYYNNWOCQHKXRQ-RYUDHWBXSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cccn2nnnc12 ZINC001090294132 776091193 /nfs/dbraw/zinc/09/11/93/776091193.db2.gz BCYWOQVTZWVFCP-NEPJUHHUSA-N 1 1 320.353 -1.328 20 0 DAADMO Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298529 776092688 /nfs/dbraw/zinc/09/26/88/776092688.db2.gz QGHVZVJMXOFPIZ-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298529 776092693 /nfs/dbraw/zinc/09/26/93/776092693.db2.gz QGHVZVJMXOFPIZ-CHWSQXEVSA-N 1 1 319.369 -1.237 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090307510 776093136 /nfs/dbraw/zinc/09/31/36/776093136.db2.gz ASWGMZZLQWLOEG-WDEREUQCSA-N 1 1 323.390 -1.457 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090307510 776093139 /nfs/dbraw/zinc/09/31/39/776093139.db2.gz ASWGMZZLQWLOEG-WDEREUQCSA-N 1 1 323.390 -1.457 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H](O)C1 ZINC001090310646 776094482 /nfs/dbraw/zinc/09/44/82/776094482.db2.gz MPQNGMWKBKOXDF-NEPJUHHUSA-N 1 1 319.427 -1.017 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090310430 776095037 /nfs/dbraw/zinc/09/50/37/776095037.db2.gz MMYXCOMEVUUJGV-VXGBXAGGSA-N 1 1 319.427 -1.018 20 0 DAADMO O=C(CN1CCCS1(=O)=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090311109 776095146 /nfs/dbraw/zinc/09/51/46/776095146.db2.gz QDWZBPNNPXYBOH-QWRGUYRKSA-N 1 1 321.399 -2.434 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H](O)C1 ZINC001090310428 776095359 /nfs/dbraw/zinc/09/53/59/776095359.db2.gz MMYXCOMEVUUJGV-NWDGAFQWSA-N 1 1 319.427 -1.018 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090311418 776095886 /nfs/dbraw/zinc/09/58/86/776095886.db2.gz SRMUUADLFARRKV-QWRGUYRKSA-N 1 1 310.354 -1.882 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090310901 776095999 /nfs/dbraw/zinc/09/59/99/776095999.db2.gz OCGMGHQJDZOHCJ-RYUDHWBXSA-N 1 1 324.381 -1.493 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090325304 776097287 /nfs/dbraw/zinc/09/72/87/776097287.db2.gz AIDQTCSQUXZOPI-GHMZBOCLSA-N 1 1 301.343 -2.611 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)[nH]n1 ZINC001099696074 776097323 /nfs/dbraw/zinc/09/73/23/776097323.db2.gz STFOXQXBKXAGAP-DGCLKSJQSA-N 1 1 312.370 -1.108 20 0 DAADMO O=C(CN1CCOCC1=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090327894 776099621 /nfs/dbraw/zinc/09/96/21/776099621.db2.gz VQZJZZJFUDSQFJ-QWHCGFSZSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnn2ncccc12 ZINC001090332298 776099824 /nfs/dbraw/zinc/09/98/24/776099824.db2.gz VTZZUQFYNOONKI-AAEUAGOBSA-N 1 1 305.338 -1.113 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)c1cnns1 ZINC001099696261 776099884 /nfs/dbraw/zinc/09/98/84/776099884.db2.gz WFJDTPZTLFVNQX-NXEZZACHSA-N 1 1 316.383 -1.288 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)cn1C ZINC001090343213 776101678 /nfs/dbraw/zinc/10/16/78/776101678.db2.gz YASMBZQKLJGZSX-GXTWGEPZSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1C ZINC001090343213 776101686 /nfs/dbraw/zinc/10/16/86/776101686.db2.gz YASMBZQKLJGZSX-GXTWGEPZSA-N 1 1 309.366 -1.149 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090338584 776101905 /nfs/dbraw/zinc/10/19/05/776101905.db2.gz JRIBRJJZRGQBKA-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090338584 776101913 /nfs/dbraw/zinc/10/19/13/776101913.db2.gz JRIBRJJZRGQBKA-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001090337527 776101952 /nfs/dbraw/zinc/10/19/52/776101952.db2.gz RYGBBLSAGPZQMB-ZYHUDNBSSA-N 1 1 310.354 -1.408 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001090337521 776102992 /nfs/dbraw/zinc/10/29/92/776102992.db2.gz RYGBBLSAGPZQMB-JQWIXIFHSA-N 1 1 310.354 -1.408 20 0 DAADMO COCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090349649 776103821 /nfs/dbraw/zinc/10/38/21/776103821.db2.gz OTCPSCWKQYZVDD-DGCLKSJQSA-N 1 1 312.370 -1.313 20 0 DAADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1C ZINC001090357008 776104032 /nfs/dbraw/zinc/10/40/32/776104032.db2.gz AKKYHZZKQIGOLI-MNOVXSKESA-N 1 1 310.354 -1.456 20 0 DAADMO CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083926681 776104525 /nfs/dbraw/zinc/10/45/25/776104525.db2.gz IJYQRIBOUJXJAN-UPJWGTAASA-N 1 1 313.398 -1.211 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)[C@@H](O)C1 ZINC001083927254 776104613 /nfs/dbraw/zinc/10/46/13/776104613.db2.gz BQGYETSFEJPQIZ-MNOVXSKESA-N 1 1 309.370 -1.438 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cn2c(n1)COCC2 ZINC001090361996 776106933 /nfs/dbraw/zinc/10/69/33/776106933.db2.gz SEHCTKJBCLUMPT-JQWIXIFHSA-N 1 1 310.354 -1.429 20 0 DAADMO C[N@H+]1CCCN(CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001118305078 776109023 /nfs/dbraw/zinc/10/90/23/776109023.db2.gz HMSUVPIMSUJUIM-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CN1CCC[N@H+](CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001118305078 776109025 /nfs/dbraw/zinc/10/90/25/776109025.db2.gz HMSUVPIMSUJUIM-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO CN1CCC[N@@H+](CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001118305078 776109027 /nfs/dbraw/zinc/10/90/27/776109027.db2.gz HMSUVPIMSUJUIM-LBPRGKRZSA-N 1 1 318.443 -1.178 20 0 DAADMO Cc1ncncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099702704 776110413 /nfs/dbraw/zinc/11/04/13/776110413.db2.gz YJLJKKYEOAUIQO-KBPBESRZSA-N 1 1 324.381 -1.041 20 0 DAADMO COCCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099710192 776110434 /nfs/dbraw/zinc/11/04/34/776110434.db2.gz UBKPNXLULZQUGG-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099710192 776110437 /nfs/dbraw/zinc/11/04/37/776110437.db2.gz UBKPNXLULZQUGG-WDEREUQCSA-N 1 1 308.400 -1.381 20 0 DAADMO COCCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099706487 776110791 /nfs/dbraw/zinc/11/07/91/776110791.db2.gz CUCSPPRHASPQBY-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090367912 776112017 /nfs/dbraw/zinc/11/20/17/776112017.db2.gz MDOHDUDSORZUFC-OLZOCXBDSA-N 1 1 312.414 -1.280 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099718155 776112782 /nfs/dbraw/zinc/11/27/82/776112782.db2.gz IBSUMPOMCOLZME-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO CCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099715897 776113447 /nfs/dbraw/zinc/11/34/47/776113447.db2.gz MIIVEOWAPGKSRJ-RYUDHWBXSA-N 1 1 301.387 -1.164 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)CC1=O ZINC001090368426 776113464 /nfs/dbraw/zinc/11/34/64/776113464.db2.gz RFTNGRCACKQYQG-NEPJUHHUSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)CC1=O ZINC001090368426 776113470 /nfs/dbraw/zinc/11/34/70/776113470.db2.gz RFTNGRCACKQYQG-NEPJUHHUSA-N 1 1 316.377 -1.719 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1=O ZINC001090369200 776113951 /nfs/dbraw/zinc/11/39/51/776113951.db2.gz VXZJLMOPPUIAHH-ZIAGYGMSSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)CC1=O ZINC001090369197 776114702 /nfs/dbraw/zinc/11/47/02/776114702.db2.gz VXZJLMOPPUIAHH-KBPBESRZSA-N 1 1 324.425 -1.278 20 0 DAADMO CN1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1=O ZINC001090369321 776114968 /nfs/dbraw/zinc/11/49/68/776114968.db2.gz WTXRJLGVPHBCTP-NEPJUHHUSA-N 1 1 314.386 -2.696 20 0 DAADMO CN1CCN(CC(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1=O ZINC001090369325 776115222 /nfs/dbraw/zinc/11/52/22/776115222.db2.gz WTXRJLGVPHBCTP-NWDGAFQWSA-N 1 1 314.386 -2.696 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001081732882 776115857 /nfs/dbraw/zinc/11/58/57/776115857.db2.gz MSGQZZOAJDQZNC-QWRGUYRKSA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001081732883 776116052 /nfs/dbraw/zinc/11/60/52/776116052.db2.gz MSGQZZOAJDQZNC-WDEREUQCSA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC001081732881 776116354 /nfs/dbraw/zinc/11/63/54/776116354.db2.gz MSGQZZOAJDQZNC-MNOVXSKESA-N 1 1 324.385 -1.766 20 0 DAADMO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001081731125 776116781 /nfs/dbraw/zinc/11/67/81/776116781.db2.gz YCWRXTYAEDLORQ-DGCLKSJQSA-N 1 1 323.397 -1.161 20 0 DAADMO CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C2)cc(C)[nH+]1 ZINC001090370424 776118109 /nfs/dbraw/zinc/11/81/09/776118109.db2.gz QHUFELBXSUJZOU-NXEZZACHSA-N 1 1 322.369 -1.319 20 0 DAADMO CCOCCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099729146 776118457 /nfs/dbraw/zinc/11/84/57/776118457.db2.gz CSRAXYJLGCZQDO-CHWSQXEVSA-N 1 1 304.387 -1.027 20 0 DAADMO CCOCCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099729149 776118764 /nfs/dbraw/zinc/11/87/64/776118764.db2.gz CSRAXYJLGCZQDO-STQMWFEESA-N 1 1 304.387 -1.027 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)c1=O ZINC001090372941 776120460 /nfs/dbraw/zinc/12/04/60/776120460.db2.gz BTMZYHFHEKREPL-VHSXEESVSA-N 1 1 301.322 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)c1=O ZINC001090372941 776120462 /nfs/dbraw/zinc/12/04/62/776120462.db2.gz BTMZYHFHEKREPL-VHSXEESVSA-N 1 1 301.322 -1.897 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373190 776120787 /nfs/dbraw/zinc/12/07/87/776120787.db2.gz GJZSXLXPQKPKFZ-NWDGAFQWSA-N 1 1 311.386 -1.067 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743664 776121576 /nfs/dbraw/zinc/12/15/76/776121576.db2.gz NKWNCMKEFCFWHT-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743664 776121582 /nfs/dbraw/zinc/12/15/82/776121582.db2.gz NKWNCMKEFCFWHT-VHSXEESVSA-N 1 1 300.359 -2.109 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099741811 776121723 /nfs/dbraw/zinc/12/17/23/776121723.db2.gz XJDPTEYTEBBARO-WDEREUQCSA-N 1 1 312.370 -1.964 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)c1=O ZINC001090373744 776121843 /nfs/dbraw/zinc/12/18/43/776121843.db2.gz KEZKPDAVGVBBIG-MNOVXSKESA-N 1 1 313.358 -2.484 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743662 776121918 /nfs/dbraw/zinc/12/19/18/776121918.db2.gz NKWNCMKEFCFWHT-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743662 776121921 /nfs/dbraw/zinc/12/19/21/776121921.db2.gz NKWNCMKEFCFWHT-NXEZZACHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743663 776121937 /nfs/dbraw/zinc/12/19/37/776121937.db2.gz NKWNCMKEFCFWHT-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099743663 776121940 /nfs/dbraw/zinc/12/19/40/776121940.db2.gz NKWNCMKEFCFWHT-UWVGGRQHSA-N 1 1 300.359 -2.109 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083935767 776123614 /nfs/dbraw/zinc/12/36/14/776123614.db2.gz LSWWXGYJHGCQPC-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083935767 776123621 /nfs/dbraw/zinc/12/36/21/776123621.db2.gz LSWWXGYJHGCQPC-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083935767 776123626 /nfs/dbraw/zinc/12/36/26/776123626.db2.gz LSWWXGYJHGCQPC-UTUOFQBUSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083935766 776124654 /nfs/dbraw/zinc/12/46/54/776124654.db2.gz LSWWXGYJHGCQPC-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083935766 776124659 /nfs/dbraw/zinc/12/46/59/776124659.db2.gz LSWWXGYJHGCQPC-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083935766 776124663 /nfs/dbraw/zinc/12/46/63/776124663.db2.gz LSWWXGYJHGCQPC-TUAOUCFPSA-N 1 1 309.370 -1.065 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757919 776125412 /nfs/dbraw/zinc/12/54/12/776125412.db2.gz LVVNGKSJACYWNR-UWVGGRQHSA-N 1 1 300.359 -2.062 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099757919 776125420 /nfs/dbraw/zinc/12/54/20/776125420.db2.gz LVVNGKSJACYWNR-UWVGGRQHSA-N 1 1 300.359 -2.062 20 0 DAADMO Cn1cnn(CC(=O)N[C@@H]2CC[N@@H+](CCCF)C[C@@H]2O)c1=O ZINC001090376387 776126957 /nfs/dbraw/zinc/12/69/57/776126957.db2.gz WOINQMAFZBZIAK-MNOVXSKESA-N 1 1 315.349 -1.507 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001090377615 776128080 /nfs/dbraw/zinc/12/80/80/776128080.db2.gz KPIBPIZGZUNNBS-ONGXEEELSA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H](O)C2)cn1 ZINC001090381457 776128470 /nfs/dbraw/zinc/12/84/70/776128470.db2.gz KHEQVPFWTYTVJV-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC001090381457 776128471 /nfs/dbraw/zinc/12/84/71/776128471.db2.gz KHEQVPFWTYTVJV-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H](O)C2)cn1 ZINC001090381457 776128475 /nfs/dbraw/zinc/12/84/75/776128475.db2.gz KHEQVPFWTYTVJV-WCQYABFASA-N 1 1 319.369 -1.054 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001099760312 776128618 /nfs/dbraw/zinc/12/86/18/776128618.db2.gz GXZWZMNWBNQEGR-WDEREUQCSA-N 1 1 312.370 -2.061 20 0 DAADMO NC(=O)CC(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001099760312 776128621 /nfs/dbraw/zinc/12/86/21/776128621.db2.gz GXZWZMNWBNQEGR-WDEREUQCSA-N 1 1 312.370 -2.061 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)cn1 ZINC001090381458 776128640 /nfs/dbraw/zinc/12/86/40/776128640.db2.gz KHEQVPFWTYTVJV-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 ZINC001090381458 776128641 /nfs/dbraw/zinc/12/86/41/776128641.db2.gz KHEQVPFWTYTVJV-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)[C@@H](O)C2)cn1 ZINC001090381458 776128645 /nfs/dbraw/zinc/12/86/45/776128645.db2.gz KHEQVPFWTYTVJV-YPMHNXCESA-N 1 1 319.369 -1.054 20 0 DAADMO CN(C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001090380425 776130346 /nfs/dbraw/zinc/13/03/46/776130346.db2.gz DIPAYHCIXCRTIQ-DGCLKSJQSA-N 1 1 312.370 -1.107 20 0 DAADMO O=C(CN1CCCNC1=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090388040 776131831 /nfs/dbraw/zinc/13/18/31/776131831.db2.gz CBSSTKQKXFHLDT-NWDGAFQWSA-N 1 1 314.386 -1.665 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090390658 776135643 /nfs/dbraw/zinc/13/56/43/776135643.db2.gz JAHRQOXSMOQHPF-RYUDHWBXSA-N 1 1 314.386 -1.401 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099791561 776136726 /nfs/dbraw/zinc/13/67/26/776136726.db2.gz HAHLTPSCBJMSRS-ZJUUUORDSA-N 1 1 300.359 -2.238 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001099791561 776136732 /nfs/dbraw/zinc/13/67/32/776136732.db2.gz HAHLTPSCBJMSRS-ZJUUUORDSA-N 1 1 300.359 -2.238 20 0 DAADMO Cn1nnnc1CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953197 776140762 /nfs/dbraw/zinc/14/07/62/776140762.db2.gz KSPCTBVNKCZGJM-TUAOUCFPSA-N 1 1 323.401 -1.787 20 0 DAADMO CN(C)C(=O)CN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953424 776141021 /nfs/dbraw/zinc/14/10/21/776141021.db2.gz SCZRJYSAXRBRKY-UPJWGTAASA-N 1 1 312.414 -1.422 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083948331 776141238 /nfs/dbraw/zinc/14/12/38/776141238.db2.gz XZEZMBHEQNKWQH-AEJSXWLSSA-N 1 1 314.342 -2.578 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@H+](CCO)C[C@@H]3O)n2n1 ZINC001083948845 776141367 /nfs/dbraw/zinc/14/13/67/776141367.db2.gz JCHRUUUSHIEXMJ-KOLCDFICSA-N 1 1 306.326 -1.800 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@@H]3C[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC001083948845 776141372 /nfs/dbraw/zinc/14/13/72/776141372.db2.gz JCHRUUUSHIEXMJ-KOLCDFICSA-N 1 1 306.326 -1.800 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953097 776141503 /nfs/dbraw/zinc/14/15/03/776141503.db2.gz HASDXHPDGLXOOH-XQQFMLRXSA-N 1 1 322.413 -1.182 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](O)C1 ZINC001083948129 776141746 /nfs/dbraw/zinc/14/17/46/776141746.db2.gz PEURGBSFNWTIIV-GDPRMGEGSA-N 1 1 321.337 -1.409 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](O)C1 ZINC001083948155 776141980 /nfs/dbraw/zinc/14/19/80/776141980.db2.gz PWCDZXQBVFVIMB-MNOVXSKESA-N 1 1 321.337 -1.144 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001083954887 776143478 /nfs/dbraw/zinc/14/34/78/776143478.db2.gz MWCMIXQIAPPTKH-MCIONIFRSA-N 1 1 322.413 -1.219 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083954093 776144201 /nfs/dbraw/zinc/14/42/01/776144201.db2.gz KGTJRUWBVAIANJ-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083954093 776144207 /nfs/dbraw/zinc/14/42/07/776144207.db2.gz KGTJRUWBVAIANJ-OLZOCXBDSA-N 1 1 319.369 -1.584 20 0 DAADMO Cn1cc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001083954335 776144556 /nfs/dbraw/zinc/14/45/56/776144556.db2.gz VERPEJRYIRQCDC-YUTCNCBUSA-N 1 1 322.413 -1.182 20 0 DAADMO Cc1nc(CN2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n[nH]1 ZINC001083959495 776146051 /nfs/dbraw/zinc/14/60/51/776146051.db2.gz WPKIVQKODGVFRE-NEPJUHHUSA-N 1 1 320.397 -1.130 20 0 DAADMO O=C(CN1Cc2ccccc2C1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083968035 776146526 /nfs/dbraw/zinc/14/65/26/776146526.db2.gz BLZRIARFZVQHOQ-KGLIPLIRSA-N 1 1 319.361 -1.204 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cn1 ZINC001083963950 776146641 /nfs/dbraw/zinc/14/66/41/776146641.db2.gz OOYIWPTZZUGZNC-NEPJUHHUSA-N 1 1 308.338 -1.792 20 0 DAADMO CNC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001083963950 776146650 /nfs/dbraw/zinc/14/66/50/776146650.db2.gz OOYIWPTZZUGZNC-NEPJUHHUSA-N 1 1 308.338 -1.792 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083971579 776147709 /nfs/dbraw/zinc/14/77/09/776147709.db2.gz NTIHRRQOMFFZLH-TUAOUCFPSA-N 1 1 324.381 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083971579 776147713 /nfs/dbraw/zinc/14/77/13/776147713.db2.gz NTIHRRQOMFFZLH-TUAOUCFPSA-N 1 1 324.381 -1.951 20 0 DAADMO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083970267 776148611 /nfs/dbraw/zinc/14/86/11/776148611.db2.gz LPWMKQORJHRJJL-XQQFMLRXSA-N 1 1 321.381 -1.598 20 0 DAADMO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084040784 776150293 /nfs/dbraw/zinc/15/02/93/776150293.db2.gz ZTDSRUQZZDCSTD-AXFHLTTASA-N 1 1 313.354 -1.668 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]3O)nn21 ZINC001084022635 776150407 /nfs/dbraw/zinc/15/04/07/776150407.db2.gz QOIRTCNOTXXQOL-MXWKQRLJSA-N 1 1 320.353 -1.412 20 0 DAADMO Cc1ccnc2nc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3O)nn21 ZINC001084022635 776150409 /nfs/dbraw/zinc/15/04/09/776150409.db2.gz QOIRTCNOTXXQOL-MXWKQRLJSA-N 1 1 320.353 -1.412 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033260 776151543 /nfs/dbraw/zinc/15/15/43/776151543.db2.gz NXXQLDSGOILECN-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cncn3)[C@@H](O)C2)C1=O ZINC001084033260 776151551 /nfs/dbraw/zinc/15/15/51/776151551.db2.gz NXXQLDSGOILECN-WOPDTQHZSA-N 1 1 322.369 -1.940 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036133 776152362 /nfs/dbraw/zinc/15/23/62/776152362.db2.gz RUSHNVKJHKNKPL-BBBLOLIVSA-N 1 1 314.342 -2.266 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084035980 776152587 /nfs/dbraw/zinc/15/25/87/776152587.db2.gz LAHAHCGNKVPICD-AEJSXWLSSA-N 1 1 314.342 -2.578 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001084041126 776152988 /nfs/dbraw/zinc/15/29/88/776152988.db2.gz OJYDEUUMCJKZJL-NEPJUHHUSA-N 1 1 314.386 -1.415 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084039234 776153471 /nfs/dbraw/zinc/15/34/71/776153471.db2.gz QXGUPXQLBLAYMS-BDAKNGLRSA-N 1 1 309.326 -2.267 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084039234 776153478 /nfs/dbraw/zinc/15/34/78/776153478.db2.gz QXGUPXQLBLAYMS-BDAKNGLRSA-N 1 1 309.326 -2.267 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)cn1 ZINC001084005107 776154685 /nfs/dbraw/zinc/15/46/85/776154685.db2.gz IWHUSDYHPYLBPS-UHTWSYAYSA-N 1 1 312.370 -1.315 20 0 DAADMO COCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)cn1 ZINC001084005106 776155266 /nfs/dbraw/zinc/15/52/66/776155266.db2.gz IWHUSDYHPYLBPS-RTXFEEFZSA-N 1 1 312.370 -1.315 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084039947 776155913 /nfs/dbraw/zinc/15/59/13/776155913.db2.gz STKYZMRUOACMEF-AXFHLTTASA-N 1 1 313.354 -1.668 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084079028 776157213 /nfs/dbraw/zinc/15/72/13/776157213.db2.gz RYUIPQHFJRXGKZ-AGIUHOORSA-N 1 1 306.366 -1.003 20 0 DAADMO O=C(Cc1ccc[nH]1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001084079028 776157222 /nfs/dbraw/zinc/15/72/22/776157222.db2.gz RYUIPQHFJRXGKZ-AGIUHOORSA-N 1 1 306.366 -1.003 20 0 DAADMO CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)C1 ZINC001084078059 776157392 /nfs/dbraw/zinc/15/73/92/776157392.db2.gz LRAOLIMUHRNOGL-FRRDWIJNSA-N 1 1 301.387 -1.485 20 0 DAADMO Cn1nc(C2CC2)nc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084077005 776157522 /nfs/dbraw/zinc/15/75/22/776157522.db2.gz BJANLVRSPCSCRQ-MNOVXSKESA-N 1 1 309.370 -1.611 20 0 DAADMO Cn1cnnc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053028 776157901 /nfs/dbraw/zinc/15/79/01/776157901.db2.gz QGKQRMOSPWEPLW-UTUOFQBUSA-N 1 1 308.386 -1.572 20 0 DAADMO Cc1nnc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052604 776158403 /nfs/dbraw/zinc/15/84/03/776158403.db2.gz AUEQJJWONXPYSQ-TUAOUCFPSA-N 1 1 309.370 -1.009 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccccc1-n1cnnn1 ZINC001084047497 776158865 /nfs/dbraw/zinc/15/88/65/776158865.db2.gz HOLQKYDBGYFQEN-YPMHNXCESA-N 1 1 318.337 -1.571 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084052717 776158924 /nfs/dbraw/zinc/15/89/24/776158924.db2.gz FGUOUNBPSQKBKJ-UTUOFQBUSA-N 1 1 308.386 -1.572 20 0 DAADMO Cn1nnc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001084052818 776159114 /nfs/dbraw/zinc/15/91/14/776159114.db2.gz INOZLGCRIXTUHU-AXFHLTTASA-N 1 1 309.374 -2.177 20 0 DAADMO CCCn1nc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)ccc1=O ZINC001084047663 776159432 /nfs/dbraw/zinc/15/94/32/776159432.db2.gz PORSYPWYSDXZPR-RTXFEEFZSA-N 1 1 324.381 -1.191 20 0 DAADMO CCn1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nn1 ZINC001084053732 776160774 /nfs/dbraw/zinc/16/07/74/776160774.db2.gz JEAKGHHNYZGNHG-BNOWGMLFSA-N 1 1 322.413 -1.089 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cncn3)C[C@@H]2O)C1 ZINC001084053859 776161201 /nfs/dbraw/zinc/16/12/01/776161201.db2.gz NOIFMRJSDNKMDA-UPJWGTAASA-N 1 1 308.386 -1.609 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001084055970 776161708 /nfs/dbraw/zinc/16/17/08/776161708.db2.gz LEQLBBSWVIGDEV-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001084055970 776161712 /nfs/dbraw/zinc/16/17/12/776161712.db2.gz LEQLBBSWVIGDEV-NEPJUHHUSA-N 1 1 305.342 -1.513 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001084059631 776162543 /nfs/dbraw/zinc/16/25/43/776162543.db2.gz QVYMSRCHRMDWQF-NEPJUHHUSA-N 1 1 309.370 -1.559 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001084059373 776162588 /nfs/dbraw/zinc/16/25/88/776162588.db2.gz FRBVQYOXYUKOPR-OLZOCXBDSA-N 1 1 319.369 -1.318 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H](O)C1 ZINC001084067522 776162656 /nfs/dbraw/zinc/16/26/56/776162656.db2.gz UTYXHQOWKXACBT-FXAINCCUSA-N 1 1 308.338 -1.664 20 0 DAADMO CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060372 776163516 /nfs/dbraw/zinc/16/35/16/776163516.db2.gz VOGXMQZTIYRSEU-WOPDTQHZSA-N 1 1 309.370 -1.383 20 0 DAADMO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084069018 776164677 /nfs/dbraw/zinc/16/46/77/776164677.db2.gz RNEYPTSUKJKTDB-AXFHLTTASA-N 1 1 305.400 -1.505 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112759 776165344 /nfs/dbraw/zinc/16/53/44/776165344.db2.gz IALXPYNWQVKBSX-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H](O)C1 ZINC001084112759 776165349 /nfs/dbraw/zinc/16/53/49/776165349.db2.gz IALXPYNWQVKBSX-NEPJUHHUSA-N 1 1 308.338 -1.398 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116477 776166344 /nfs/dbraw/zinc/16/63/44/776166344.db2.gz SPFBZQVQFULIHE-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001084116496 776166666 /nfs/dbraw/zinc/16/66/66/776166666.db2.gz TXXJSEPZQTZGRR-WQAKAFBOSA-N 1 1 322.365 -1.010 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001084116645 776166685 /nfs/dbraw/zinc/16/66/85/776166685.db2.gz ZVUGZMJKFIAZJO-NEPJUHHUSA-N 1 1 308.338 -1.662 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)CC2 ZINC001084084208 776167905 /nfs/dbraw/zinc/16/79/05/776167905.db2.gz KHCYTVNUFJAPSK-TUAOUCFPSA-N 1 1 309.370 -1.697 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1CCc2nncn2C1 ZINC001084085935 776168593 /nfs/dbraw/zinc/16/85/93/776168593.db2.gz KEFVYRFVQSGZCX-UTUOFQBUSA-N 1 1 309.370 -1.616 20 0 DAADMO NC(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cc1 ZINC001084106189 776169246 /nfs/dbraw/zinc/16/92/46/776169246.db2.gz MXDSPCXVLZLSOB-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097191 776169707 /nfs/dbraw/zinc/16/97/07/776169707.db2.gz IJRGYCZSRABYAX-FOGDFJRCSA-N 1 1 312.370 -1.466 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001084125506 776169951 /nfs/dbraw/zinc/16/99/51/776169951.db2.gz JXGHZWCJWZXFGN-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001084125506 776169955 /nfs/dbraw/zinc/16/99/55/776169955.db2.gz JXGHZWCJWZXFGN-MNOVXSKESA-N 1 1 305.342 -1.215 20 0 DAADMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001084091053 776170092 /nfs/dbraw/zinc/17/00/92/776170092.db2.gz WMJYJPKXZQNPMT-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](O)C1 ZINC001084132113 776170927 /nfs/dbraw/zinc/17/09/27/776170927.db2.gz IHBJBUMTRFTGQF-FXAINCCUSA-N 1 1 308.338 -1.664 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084176987 776171221 /nfs/dbraw/zinc/17/12/21/776171221.db2.gz PNUPZMCTJHSLKB-VXGBXAGGSA-N 1 1 317.357 -1.503 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099796559 776171624 /nfs/dbraw/zinc/17/16/24/776171624.db2.gz FZHWQFNKCKYNGH-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001099796559 776171627 /nfs/dbraw/zinc/17/16/27/776171627.db2.gz FZHWQFNKCKYNGH-WDEREUQCSA-N 1 1 314.386 -1.848 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084177988 776171696 /nfs/dbraw/zinc/17/16/96/776171696.db2.gz ZXZAQMWZJBJRBG-VXGBXAGGSA-N 1 1 319.369 -1.562 20 0 DAADMO O=C(Cn1cnnn1)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084177988 776171703 /nfs/dbraw/zinc/17/17/03/776171703.db2.gz ZXZAQMWZJBJRBG-VXGBXAGGSA-N 1 1 319.369 -1.562 20 0 DAADMO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001273214829 776171852 /nfs/dbraw/zinc/17/18/52/776171852.db2.gz ZQMPIBPIIVUFSN-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001273214829 776171856 /nfs/dbraw/zinc/17/18/56/776171856.db2.gz ZQMPIBPIIVUFSN-AXFHLTTASA-N 1 1 310.354 -2.077 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176754 776172095 /nfs/dbraw/zinc/17/20/95/776172095.db2.gz FNPTVFHXZOVBNC-HBNTYKKESA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176754 776172101 /nfs/dbraw/zinc/17/21/01/776172101.db2.gz FNPTVFHXZOVBNC-HBNTYKKESA-N 1 1 307.358 -1.660 20 0 DAADMO O=C(Cc1cncnc1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099797594 776172830 /nfs/dbraw/zinc/17/28/30/776172830.db2.gz WBKGDBRISZQTKQ-UONOGXRCSA-N 1 1 324.381 -1.421 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290732 776173020 /nfs/dbraw/zinc/17/30/20/776173020.db2.gz DSRBVLCXTCATHZ-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3)[C@@H]2C1 ZINC001084290732 776173021 /nfs/dbraw/zinc/17/30/21/776173021.db2.gz DSRBVLCXTCATHZ-BFHYXJOUSA-N 1 1 324.425 -1.014 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084288047 776173065 /nfs/dbraw/zinc/17/30/65/776173065.db2.gz GEWHDOGCPRGFDL-MGPQQGTHSA-N 1 1 322.409 -1.260 20 0 DAADMO O=C(CN1CCOCC1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084288047 776173068 /nfs/dbraw/zinc/17/30/68/776173068.db2.gz GEWHDOGCPRGFDL-MGPQQGTHSA-N 1 1 322.409 -1.260 20 0 DAADMO NC(=O)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084243680 776173174 /nfs/dbraw/zinc/17/31/74/776173174.db2.gz RIHOIRXCQBMECL-FRRDWIJNSA-N 1 1 321.381 -1.348 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084426165 776174695 /nfs/dbraw/zinc/17/46/95/776174695.db2.gz QYFDKFHSIDIKTH-OUAUKWLOSA-N 1 1 308.382 -1.081 20 0 DAADMO CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084426165 776174703 /nfs/dbraw/zinc/17/47/03/776174703.db2.gz QYFDKFHSIDIKTH-OUAUKWLOSA-N 1 1 308.382 -1.081 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084418729 776174721 /nfs/dbraw/zinc/17/47/21/776174721.db2.gz PMVSWQLLBWXWIJ-OUAUKWLOSA-N 1 1 310.354 -1.500 20 0 DAADMO CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001084347702 776175108 /nfs/dbraw/zinc/17/51/08/776175108.db2.gz CLRLMFBAWRATAN-GRYCIOLGSA-N 1 1 319.369 -1.564 20 0 DAADMO CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4ncnn4)[C@@H]3C2)C1=O ZINC001084347702 776175111 /nfs/dbraw/zinc/17/51/11/776175111.db2.gz CLRLMFBAWRATAN-GRYCIOLGSA-N 1 1 319.369 -1.564 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084346408 776175255 /nfs/dbraw/zinc/17/52/55/776175255.db2.gz IGQNMCRZMZNOAN-VXGBXAGGSA-N 1 1 319.369 -1.562 20 0 DAADMO O=C(Cn1ncnn1)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084346408 776175259 /nfs/dbraw/zinc/17/52/59/776175259.db2.gz IGQNMCRZMZNOAN-VXGBXAGGSA-N 1 1 319.369 -1.562 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347709 776175653 /nfs/dbraw/zinc/17/56/53/776175653.db2.gz COHJOICSEUGLNX-HBNTYKKESA-N 1 1 307.358 -1.660 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084347709 776175662 /nfs/dbraw/zinc/17/56/62/776175662.db2.gz COHJOICSEUGLNX-HBNTYKKESA-N 1 1 307.358 -1.660 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410057 776176715 /nfs/dbraw/zinc/17/67/15/776176715.db2.gz VUUDLOUOXRXEQO-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410057 776176717 /nfs/dbraw/zinc/17/67/17/776176717.db2.gz VUUDLOUOXRXEQO-IJLUTSLNSA-N 1 1 324.381 -1.748 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084401733 776177519 /nfs/dbraw/zinc/17/75/19/776177519.db2.gz PVVDCVJGJMUETA-IJLUTSLNSA-N 1 1 308.382 -1.209 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084401733 776177525 /nfs/dbraw/zinc/17/75/25/776177525.db2.gz PVVDCVJGJMUETA-IJLUTSLNSA-N 1 1 308.382 -1.209 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC001084410758 776177567 /nfs/dbraw/zinc/17/75/67/776177567.db2.gz VRXSHLBDRFUCAW-YNEHKIRRSA-N 1 1 311.382 -1.241 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001099802525 776178067 /nfs/dbraw/zinc/17/80/67/776178067.db2.gz XGHHKOWEWRIQEC-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)[C@@H](O)C1 ZINC001099802525 776178071 /nfs/dbraw/zinc/17/80/71/776178071.db2.gz XGHHKOWEWRIQEC-JQWIXIFHSA-N 1 1 324.385 -1.542 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001084483110 776178398 /nfs/dbraw/zinc/17/83/98/776178398.db2.gz VSKCHBMIYIEDCH-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001084483110 776178406 /nfs/dbraw/zinc/17/84/06/776178406.db2.gz VSKCHBMIYIEDCH-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 ZINC001084545787 776180035 /nfs/dbraw/zinc/18/00/35/776180035.db2.gz YWBRYPZOGFIIQK-JHJVBQTASA-N 1 1 323.397 -1.115 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084572986 776180276 /nfs/dbraw/zinc/18/02/76/776180276.db2.gz BKQWTCBPSBCRNN-QJPTWQEYSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084572986 776180279 /nfs/dbraw/zinc/18/02/79/776180279.db2.gz BKQWTCBPSBCRNN-QJPTWQEYSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084572985 776180379 /nfs/dbraw/zinc/18/03/79/776180379.db2.gz BKQWTCBPSBCRNN-IJLUTSLNSA-N 1 1 323.397 -2.175 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084572985 776180384 /nfs/dbraw/zinc/18/03/84/776180384.db2.gz BKQWTCBPSBCRNN-IJLUTSLNSA-N 1 1 323.397 -2.175 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090398753 776180730 /nfs/dbraw/zinc/18/07/30/776180730.db2.gz IFSPSOHJCSUXIL-JQWIXIFHSA-N 1 1 310.354 -1.719 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084576043 776180775 /nfs/dbraw/zinc/18/07/75/776180775.db2.gz XXZILIRCCBGMEZ-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001084576043 776180781 /nfs/dbraw/zinc/18/07/81/776180781.db2.gz XXZILIRCCBGMEZ-GRYCIOLGSA-N 1 1 308.382 -1.257 20 0 DAADMO CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573268 776180802 /nfs/dbraw/zinc/18/08/02/776180802.db2.gz MCMGGDPYRGLMKL-MGPQQGTHSA-N 1 1 324.425 -1.014 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cc1=O ZINC001084622233 776181777 /nfs/dbraw/zinc/18/17/77/776181777.db2.gz OKEJAFLQGNGZRW-VXGBXAGGSA-N 1 1 304.350 -1.097 20 0 DAADMO O=C(CN1CCNC(=O)C1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084574575 776182144 /nfs/dbraw/zinc/18/21/44/776182144.db2.gz DBQRFVJYGUZPLR-CHWSQXEVSA-N 1 1 310.398 -1.667 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001084624630 776183543 /nfs/dbraw/zinc/18/35/43/776183543.db2.gz YBJLMEGDFGQLBY-RKDXNWHRSA-N 1 1 309.326 -2.444 20 0 DAADMO NC(=O)C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001084624630 776183548 /nfs/dbraw/zinc/18/35/48/776183548.db2.gz YBJLMEGDFGQLBY-RKDXNWHRSA-N 1 1 309.326 -2.444 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084665407 776183768 /nfs/dbraw/zinc/18/37/68/776183768.db2.gz WYIVTQDZCDSCER-FVCCEPFGSA-N 1 1 320.393 -1.127 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084665407 776183772 /nfs/dbraw/zinc/18/37/72/776183772.db2.gz WYIVTQDZCDSCER-FVCCEPFGSA-N 1 1 320.393 -1.127 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1=O ZINC001119499167 776184284 /nfs/dbraw/zinc/18/42/84/776184284.db2.gz UFOHXGOQIXUPNA-SNVBAGLBSA-N 1 1 324.381 -1.197 20 0 DAADMO CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC001119499167 776184287 /nfs/dbraw/zinc/18/42/87/776184287.db2.gz UFOHXGOQIXUPNA-SNVBAGLBSA-N 1 1 324.381 -1.197 20 0 DAADMO CC(C)(O)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099809714 776184414 /nfs/dbraw/zinc/18/44/14/776184414.db2.gz LTPHXWGULUSJRV-NEPJUHHUSA-N 1 1 304.387 -1.292 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084738057 776185596 /nfs/dbraw/zinc/18/55/96/776185596.db2.gz OFIZVUDSTPHNJX-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(CCn1cnnn1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084738057 776185600 /nfs/dbraw/zinc/18/56/00/776185600.db2.gz OFIZVUDSTPHNJX-GRYCIOLGSA-N 1 1 319.369 -1.516 20 0 DAADMO O=C(C1CC2(C1)NC(=O)NC2=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084716745 776185776 /nfs/dbraw/zinc/18/57/76/776185776.db2.gz SRBACJBLFFMFEO-GPZIFOQPSA-N 1 1 322.365 -1.500 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 ZINC001084719937 776185923 /nfs/dbraw/zinc/18/59/23/776185923.db2.gz TZPAIXYOEGFQIZ-CKYFFXLPSA-N 1 1 309.366 -1.047 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737800 776186448 /nfs/dbraw/zinc/18/64/48/776186448.db2.gz CBSVULIJXPAAFP-IJLUTSLNSA-N 1 1 321.385 -1.140 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737800 776186454 /nfs/dbraw/zinc/18/64/54/776186454.db2.gz CBSVULIJXPAAFP-IJLUTSLNSA-N 1 1 321.385 -1.140 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737888 776186564 /nfs/dbraw/zinc/18/65/64/776186564.db2.gz GTOLZGDGYXKHDD-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737888 776186568 /nfs/dbraw/zinc/18/65/68/776186568.db2.gz GTOLZGDGYXKHDD-IJLUTSLNSA-N 1 1 321.385 -1.270 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)c(=O)n1C ZINC001084805817 776187378 /nfs/dbraw/zinc/18/73/78/776187378.db2.gz HRTXQPWTCQMJFH-CHWSQXEVSA-N 1 1 323.397 -1.195 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084805334 776188021 /nfs/dbraw/zinc/18/80/21/776188021.db2.gz JRFPSKKKYSRJST-MCIONIFRSA-N 1 1 311.382 -1.241 20 0 DAADMO O=C(CC1(O)CCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099823880 776188763 /nfs/dbraw/zinc/18/87/63/776188763.db2.gz LIGHZXSOUINATC-CHWSQXEVSA-N 1 1 316.398 -1.148 20 0 DAADMO O=C(CC1(O)CCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099823883 776188787 /nfs/dbraw/zinc/18/87/87/776188787.db2.gz LIGHZXSOUINATC-STQMWFEESA-N 1 1 316.398 -1.148 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084818354 776189420 /nfs/dbraw/zinc/18/94/20/776189420.db2.gz WKCVZHKAIIAOGQ-GHMZBOCLSA-N 1 1 310.354 -1.547 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099836377 776190053 /nfs/dbraw/zinc/19/00/53/776190053.db2.gz YXGHJLOWWMIKAV-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818328 776190252 /nfs/dbraw/zinc/19/02/52/776190252.db2.gz VMFUJYLBLYMJFU-HBNTYKKESA-N 1 1 310.354 -1.548 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084841948 776190377 /nfs/dbraw/zinc/19/03/77/776190377.db2.gz TVWANSVJOKTVMY-MGPQQGTHSA-N 1 1 311.382 -1.241 20 0 DAADMO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818019 776190502 /nfs/dbraw/zinc/19/05/02/776190502.db2.gz GHIDVQCWXFQYFM-GHMZBOCLSA-N 1 1 310.354 -1.283 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818280 776190631 /nfs/dbraw/zinc/19/06/31/776190631.db2.gz SPIUUMBYYJKOAV-IVZWLZJFSA-N 1 1 323.353 -2.055 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 ZINC001084818280 776190639 /nfs/dbraw/zinc/19/06/39/776190639.db2.gz SPIUUMBYYJKOAV-IVZWLZJFSA-N 1 1 323.353 -2.055 20 0 DAADMO Cn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)c(=O)[nH]c1=O ZINC001084828214 776190803 /nfs/dbraw/zinc/19/08/03/776190803.db2.gz UFQMWTIELMHKKH-MWLCHTKSSA-N 1 1 308.338 -1.376 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 ZINC001099832747 776190991 /nfs/dbraw/zinc/19/09/91/776190991.db2.gz LUXCTJCOMRTNJD-WDEREUQCSA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001084852476 776192756 /nfs/dbraw/zinc/19/27/56/776192756.db2.gz AWNYDNRBJRDGHZ-HOSYDEDBSA-N 1 1 322.369 -1.710 20 0 DAADMO O=C(CNC(=O)c1ccoc1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099845592 776194134 /nfs/dbraw/zinc/19/41/34/776194134.db2.gz ZSRCSRMMHIVHGJ-RYUDHWBXSA-N 1 1 311.338 -1.447 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@H](O)C1 ZINC001090399944 776195540 /nfs/dbraw/zinc/19/55/40/776195540.db2.gz QHURORJURZFTPS-DGCLKSJQSA-N 1 1 324.381 -1.065 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 ZINC001084978350 776195570 /nfs/dbraw/zinc/19/55/70/776195570.db2.gz LKZXGYMZWNBLSM-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 ZINC001084978350 776195573 /nfs/dbraw/zinc/19/55/73/776195573.db2.gz LKZXGYMZWNBLSM-UTUOFQBUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 ZINC001084978351 776195688 /nfs/dbraw/zinc/19/56/88/776195688.db2.gz LKZXGYMZWNBLSM-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 ZINC001084978351 776195693 /nfs/dbraw/zinc/19/56/93/776195693.db2.gz LKZXGYMZWNBLSM-WOPDTQHZSA-N 1 1 308.382 -1.079 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC001119912407 776196460 /nfs/dbraw/zinc/19/64/60/776196460.db2.gz YRKTYJYEAFWWDT-VWYCJHECSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC001119912407 776196464 /nfs/dbraw/zinc/19/64/64/776196464.db2.gz YRKTYJYEAFWWDT-VWYCJHECSA-N 1 1 313.354 -1.404 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CNC(=O)C1 ZINC001084996520 776197420 /nfs/dbraw/zinc/19/74/20/776197420.db2.gz LYPZBXJSAGYIFJ-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@]1(C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CNC(=O)C1 ZINC001084996520 776197426 /nfs/dbraw/zinc/19/74/26/776197426.db2.gz LYPZBXJSAGYIFJ-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864116 776198079 /nfs/dbraw/zinc/19/80/79/776198079.db2.gz POTHLPHAXRKYRG-RYUDHWBXSA-N 1 1 317.386 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001099862910 776198106 /nfs/dbraw/zinc/19/81/06/776198106.db2.gz FIWOKDUQMHWFGG-RYUDHWBXSA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]21 ZINC001085006528 776198435 /nfs/dbraw/zinc/19/84/35/776198435.db2.gz FECVSAOAXGKOGE-WOPDTQHZSA-N 1 1 323.397 -1.321 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@@H]21 ZINC001085006528 776198439 /nfs/dbraw/zinc/19/84/39/776198439.db2.gz FECVSAOAXGKOGE-WOPDTQHZSA-N 1 1 323.397 -1.321 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099863996 776198451 /nfs/dbraw/zinc/19/84/51/776198451.db2.gz PHKXMOTZLKKWQZ-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099863996 776198455 /nfs/dbraw/zinc/19/84/55/776198455.db2.gz PHKXMOTZLKKWQZ-MNOVXSKESA-N 1 1 305.350 -1.340 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 ZINC001085089124 776199005 /nfs/dbraw/zinc/19/90/05/776199005.db2.gz CCDFMGVNMTVUSE-TUAOUCFPSA-N 1 1 324.381 -1.158 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]21 ZINC001085106639 776199071 /nfs/dbraw/zinc/19/90/71/776199071.db2.gz FCBQADJAQJDESS-WOPDTQHZSA-N 1 1 323.397 -1.062 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]21 ZINC001085106639 776199079 /nfs/dbraw/zinc/19/90/79/776199079.db2.gz FCBQADJAQJDESS-WOPDTQHZSA-N 1 1 323.397 -1.062 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001085078728 776199980 /nfs/dbraw/zinc/19/99/80/776199980.db2.gz JSOZMRDUMUYNCG-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001085078728 776199983 /nfs/dbraw/zinc/19/99/83/776199983.db2.gz JSOZMRDUMUYNCG-WOPDTQHZSA-N 1 1 308.382 -1.066 20 0 DAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CCC(N)=O)CC2)CC1 ZINC000823788831 776200544 /nfs/dbraw/zinc/20/05/44/776200544.db2.gz YURJNNSBNVTQDQ-UHFFFAOYSA-N 1 1 311.386 -1.237 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090400741 776200829 /nfs/dbraw/zinc/20/08/29/776200829.db2.gz YALDPYKFRGNTFA-DGCLKSJQSA-N 1 1 324.381 -1.329 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCC23COCCN2CCOC3)C1 ZINC000823117501 776201251 /nfs/dbraw/zinc/20/12/51/776201251.db2.gz CHSPECUDBOUNMW-ZDUSSCGKSA-N 1 1 313.398 -1.076 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCC23COCCN2CCOC3)C1 ZINC000823117501 776201256 /nfs/dbraw/zinc/20/12/56/776201256.db2.gz CHSPECUDBOUNMW-ZDUSSCGKSA-N 1 1 313.398 -1.076 20 0 DAADMO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090400743 776201480 /nfs/dbraw/zinc/20/14/80/776201480.db2.gz YALDPYKFRGNTFA-YPMHNXCESA-N 1 1 324.381 -1.329 20 0 DAADMO CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000823806201 776201532 /nfs/dbraw/zinc/20/15/32/776201532.db2.gz GFGGQGWIIMZYND-WDEREUQCSA-N 1 1 304.416 -1.208 20 0 DAADMO COCCN(CCNC(=O)C(N)=O)C(=O)Cn1cc[nH+]c1C ZINC001288249614 776204410 /nfs/dbraw/zinc/20/44/10/776204410.db2.gz DNIIMXMTMMYYIV-UHFFFAOYSA-N 1 1 311.342 -1.732 20 0 DAADMO O=C(Cc1cnoc1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099963144 776206399 /nfs/dbraw/zinc/20/63/99/776206399.db2.gz ZZYBNDILSALTBB-QWHCGFSZSA-N 1 1 313.354 -1.223 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973571 776207708 /nfs/dbraw/zinc/20/77/08/776207708.db2.gz FVEKJYRYOZOXOM-SFYZADRCSA-N 1 1 308.360 -3.428 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973571 776207714 /nfs/dbraw/zinc/20/77/14/776207714.db2.gz FVEKJYRYOZOXOM-SFYZADRCSA-N 1 1 308.360 -3.428 20 0 DAADMO CCOCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099969356 776207726 /nfs/dbraw/zinc/20/77/26/776207726.db2.gz IFROKJNQUMNTMZ-ZYHUDNBSSA-N 1 1 310.354 -1.029 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001099969353 776207823 /nfs/dbraw/zinc/20/78/23/776207823.db2.gz IFROKJNQUMNTMZ-CMPLNLGQSA-N 1 1 310.354 -1.029 20 0 DAADMO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cn2nccn2)CC1 ZINC001098378938 776209064 /nfs/dbraw/zinc/20/90/64/776209064.db2.gz LFJYQQBDNWEXFP-GFCCVEGCSA-N 1 1 311.386 -1.056 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000827771526 776210116 /nfs/dbraw/zinc/21/01/16/776210116.db2.gz XYSBPUGRVXWFOB-UHFFFAOYSA-N 1 1 313.383 -1.050 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000828637528 776212693 /nfs/dbraw/zinc/21/26/93/776212693.db2.gz YVVWFGGUXVGXIU-DMDPSCGWSA-N 1 1 319.427 -1.018 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001085518927 776213489 /nfs/dbraw/zinc/21/34/89/776213489.db2.gz DGWQAAYNAGRDBX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001085518927 776213499 /nfs/dbraw/zinc/21/34/99/776213499.db2.gz DGWQAAYNAGRDBX-VXGBXAGGSA-N 1 1 323.397 -1.177 20 0 DAADMO CNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670278 776218882 /nfs/dbraw/zinc/21/88/82/776218882.db2.gz SUOFIZJLUCZKGP-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670278 776218889 /nfs/dbraw/zinc/21/88/89/776218889.db2.gz SUOFIZJLUCZKGP-FRRDWIJNSA-N 1 1 312.414 -1.016 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129321139 776221310 /nfs/dbraw/zinc/22/13/10/776221310.db2.gz GZQAGLAEZJYOSA-MNOVXSKESA-N 1 1 322.369 -1.862 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001129321139 776221318 /nfs/dbraw/zinc/22/13/18/776221318.db2.gz GZQAGLAEZJYOSA-MNOVXSKESA-N 1 1 322.369 -1.862 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001085763245 776222759 /nfs/dbraw/zinc/22/27/59/776222759.db2.gz YLOXDYOPLMAXKB-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001085763245 776222765 /nfs/dbraw/zinc/22/27/65/776222765.db2.gz YLOXDYOPLMAXKB-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCn1cncn1)C(=O)c1nnn(C)n1 ZINC001085772243 776224061 /nfs/dbraw/zinc/22/40/61/776224061.db2.gz SRKATDKIUFSLLX-SNVBAGLBSA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCn1cncn1)C(=O)c1nnn(C)n1 ZINC001085772243 776224065 /nfs/dbraw/zinc/22/40/65/776224065.db2.gz SRKATDKIUFSLLX-SNVBAGLBSA-N 1 1 305.346 -1.352 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCN1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821999 776227899 /nfs/dbraw/zinc/22/78/99/776227899.db2.gz SPYKGIOUUZVWRM-UTUOFQBUSA-N 1 1 323.397 -1.334 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCN1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001085821999 776227904 /nfs/dbraw/zinc/22/79/04/776227904.db2.gz SPYKGIOUUZVWRM-UTUOFQBUSA-N 1 1 323.397 -1.334 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001280620977 776227972 /nfs/dbraw/zinc/22/79/72/776227972.db2.gz PSVBPMAQBGYGOM-NSHDSACASA-N 1 1 313.358 -1.447 20 0 DAADMO COCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001085849635 776228051 /nfs/dbraw/zinc/22/80/51/776228051.db2.gz CBAXYMOVTZSQJG-NSHDSACASA-N 1 1 324.381 -1.123 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085868686 776229354 /nfs/dbraw/zinc/22/93/54/776229354.db2.gz XDVYFJVIGOQECL-GHMZBOCLSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC001085868686 776229361 /nfs/dbraw/zinc/22/93/61/776229361.db2.gz XDVYFJVIGOQECL-GHMZBOCLSA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085868687 776229986 /nfs/dbraw/zinc/22/99/86/776229986.db2.gz XDVYFJVIGOQECL-MNOVXSKESA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001085868687 776229989 /nfs/dbraw/zinc/22/99/89/776229989.db2.gz XDVYFJVIGOQECL-MNOVXSKESA-N 1 1 305.400 -1.455 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001085923964 776230810 /nfs/dbraw/zinc/23/08/10/776230810.db2.gz LDOGTWMFLAAMTA-SNVBAGLBSA-N 1 1 320.353 -1.054 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108219841 776231152 /nfs/dbraw/zinc/23/11/52/776231152.db2.gz JMLNFJFKIOSDIS-AWEZNQCLSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1ncc(CCC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108219841 776231161 /nfs/dbraw/zinc/23/11/61/776231161.db2.gz JMLNFJFKIOSDIS-AWEZNQCLSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1c(=O)cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)n(C)c1=O ZINC001273380094 776233358 /nfs/dbraw/zinc/23/33/58/776233358.db2.gz AMMYNFQHTOVQIP-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO Cn1c(=O)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)n(C)c1=O ZINC001273380094 776233364 /nfs/dbraw/zinc/23/33/64/776233364.db2.gz AMMYNFQHTOVQIP-AOOOYVTPSA-N 1 1 308.338 -1.761 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090403065 776234391 /nfs/dbraw/zinc/23/43/91/776234391.db2.gz JSKIPWJZWOYGBJ-VHSXEESVSA-N 1 1 314.317 -1.530 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090403065 776234397 /nfs/dbraw/zinc/23/43/97/776234397.db2.gz JSKIPWJZWOYGBJ-VHSXEESVSA-N 1 1 314.317 -1.530 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986780 776234489 /nfs/dbraw/zinc/23/44/89/776234489.db2.gz NBCRAJIYGWNXAR-ZJUUUORDSA-N 1 1 310.358 -1.710 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001085986777 776234919 /nfs/dbraw/zinc/23/49/19/776234919.db2.gz NBCRAJIYGWNXAR-NXEZZACHSA-N 1 1 310.358 -1.710 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)nn1 ZINC001085988646 776235006 /nfs/dbraw/zinc/23/50/06/776235006.db2.gz SRMSXBKQVFSBGJ-NSHDSACASA-N 1 1 324.385 -1.495 20 0 DAADMO CN(C)C(=O)Cn1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)nn1 ZINC001085988646 776235028 /nfs/dbraw/zinc/23/50/28/776235028.db2.gz SRMSXBKQVFSBGJ-NSHDSACASA-N 1 1 324.385 -1.495 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100021119 776235050 /nfs/dbraw/zinc/23/50/50/776235050.db2.gz YHDZZDBENXZGPJ-GHMZBOCLSA-N 1 1 322.431 -1.658 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)C1 ZINC001085982433 776235104 /nfs/dbraw/zinc/23/51/04/776235104.db2.gz KKIATPOWSFWICJ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CCN2CC(=O)NC)C1 ZINC001085982433 776235115 /nfs/dbraw/zinc/23/51/15/776235115.db2.gz KKIATPOWSFWICJ-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO O=C(COC1CCOCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100025472 776236130 /nfs/dbraw/zinc/23/61/30/776236130.db2.gz WPEVWPMKHJBTCY-QWHCGFSZSA-N 1 1 302.371 -1.274 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001086059443 776236635 /nfs/dbraw/zinc/23/66/35/776236635.db2.gz GIXNIXMYEBZMJV-GARJFASQSA-N 1 1 321.385 -1.279 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090403684 776236877 /nfs/dbraw/zinc/23/68/77/776236877.db2.gz OGLNFBYPNOWQBT-ZJUUUORDSA-N 1 1 312.326 -2.507 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001086064753 776237340 /nfs/dbraw/zinc/23/73/40/776237340.db2.gz HTHPZMIMXWVEND-TUAOUCFPSA-N 1 1 323.401 -1.475 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001098401067 776237445 /nfs/dbraw/zinc/23/74/45/776237445.db2.gz AESIAQBOMQIJSI-UHFFFAOYSA-N 1 1 323.353 -1.434 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001100026727 776238157 /nfs/dbraw/zinc/23/81/57/776238157.db2.gz HCRKMXAMLFQVOY-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001100026727 776238162 /nfs/dbraw/zinc/23/81/62/776238162.db2.gz HCRKMXAMLFQVOY-QWHCGFSZSA-N 1 1 323.397 -1.050 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100029111 776240263 /nfs/dbraw/zinc/24/02/63/776240263.db2.gz IPUMVHHGCMRDQH-NWDGAFQWSA-N 1 1 324.385 -1.692 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@H](C)OC)n1 ZINC001155252254 776240425 /nfs/dbraw/zinc/24/04/25/776240425.db2.gz ZHSBGEAFZMWYBR-VIFPVBQESA-N 1 1 313.358 -1.011 20 0 DAADMO C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086111193 776241546 /nfs/dbraw/zinc/24/15/46/776241546.db2.gz XKQYIIKNWINDLO-KQXIARHKSA-N 1 1 324.385 -1.002 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001086115593 776241812 /nfs/dbraw/zinc/24/18/12/776241812.db2.gz GGXJCYHCMBXTEJ-OUAUKWLOSA-N 1 1 321.385 -1.137 20 0 DAADMO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090404652 776241922 /nfs/dbraw/zinc/24/19/22/776241922.db2.gz UDJBHCIDXMOYMR-NEPJUHHUSA-N 1 1 322.365 -1.090 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100031431 776242244 /nfs/dbraw/zinc/24/22/44/776242244.db2.gz FGDHLNJNHCZFKW-VXGBXAGGSA-N 1 1 322.427 -1.255 20 0 DAADMO CS(=O)(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001100031431 776242249 /nfs/dbraw/zinc/24/22/49/776242249.db2.gz FGDHLNJNHCZFKW-VXGBXAGGSA-N 1 1 322.427 -1.255 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001086135360 776243283 /nfs/dbraw/zinc/24/32/83/776243283.db2.gz BNCWDBPVZPNKMX-HRDYMLBCSA-N 1 1 306.326 -1.292 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)CCN2CCOCC2)[C@H](O)C1 ZINC001100036394 776243505 /nfs/dbraw/zinc/24/35/05/776243505.db2.gz FXLMNVNHLISSHL-UONOGXRCSA-N 1 1 315.414 -1.094 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cccc2ncnn21 ZINC001090404945 776243982 /nfs/dbraw/zinc/24/39/82/776243982.db2.gz VUOWNNIXEXYLHI-CMPLNLGQSA-N 1 1 305.338 -1.113 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001090405830 776244788 /nfs/dbraw/zinc/24/47/88/776244788.db2.gz ZBOQWHIYJXPYSV-AAEUAGOBSA-N 1 1 319.369 -1.123 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090405658 776245586 /nfs/dbraw/zinc/24/55/86/776245586.db2.gz YQGQBNXHHKVHEH-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090405658 776245592 /nfs/dbraw/zinc/24/55/92/776245592.db2.gz YQGQBNXHHKVHEH-DGCLKSJQSA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001086166724 776245615 /nfs/dbraw/zinc/24/56/15/776245615.db2.gz PAFAOKPTKJNGFX-VLEAKVRGSA-N 1 1 321.385 -1.294 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001086170085 776247062 /nfs/dbraw/zinc/24/70/62/776247062.db2.gz ZOVQWWSJHPHUPH-AXFHLTTASA-N 1 1 321.385 -1.327 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001086168858 776247181 /nfs/dbraw/zinc/24/71/81/776247181.db2.gz YCMCHVCBOPIQHH-KXUCPTDWSA-N 1 1 307.358 -1.669 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001086175097 776247787 /nfs/dbraw/zinc/24/77/87/776247787.db2.gz HBDNASWDNWLFGQ-OUAUKWLOSA-N 1 1 321.385 -1.185 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001086180612 776248198 /nfs/dbraw/zinc/24/81/98/776248198.db2.gz WEADGAZPPGLGJE-DTORHVGOSA-N 1 1 318.341 -1.408 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001086183948 776248806 /nfs/dbraw/zinc/24/88/06/776248806.db2.gz BORMGRXPCFOWDZ-HRDYMLBCSA-N 1 1 308.346 -2.124 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)c1cccnn1 ZINC001100041992 776250509 /nfs/dbraw/zinc/25/05/09/776250509.db2.gz RIYUNUJKFSVRSG-YPMHNXCESA-N 1 1 310.354 -1.350 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ncn[nH]1 ZINC001086227943 776251574 /nfs/dbraw/zinc/25/15/74/776251574.db2.gz NMFXJHFTXYKHOA-HRDYMLBCSA-N 1 1 306.326 -1.292 20 0 DAADMO O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1nc[nH]n1 ZINC001086227943 776251578 /nfs/dbraw/zinc/25/15/78/776251578.db2.gz NMFXJHFTXYKHOA-HRDYMLBCSA-N 1 1 306.326 -1.292 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001086252774 776252883 /nfs/dbraw/zinc/25/28/83/776252883.db2.gz ZMZRNGMEVJQAPK-BBBLOLIVSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001086252774 776252886 /nfs/dbraw/zinc/25/28/86/776252886.db2.gz ZMZRNGMEVJQAPK-BBBLOLIVSA-N 1 1 306.370 -1.121 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100057243 776254059 /nfs/dbraw/zinc/25/40/59/776254059.db2.gz DGWSROKYWCPCQM-WDEREUQCSA-N 1 1 315.349 -1.147 20 0 DAADMO Cn1ncnc1COCC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100057243 776254061 /nfs/dbraw/zinc/25/40/61/776254061.db2.gz DGWSROKYWCPCQM-WDEREUQCSA-N 1 1 315.349 -1.147 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001100064960 776254874 /nfs/dbraw/zinc/25/48/74/776254874.db2.gz VDYFSKPZMKVDIG-STQMWFEESA-N 1 1 314.430 -1.032 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H](O)C1 ZINC001100058806 776255160 /nfs/dbraw/zinc/25/51/60/776255160.db2.gz ZSENTUCQWAKKCM-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001108264836 776255850 /nfs/dbraw/zinc/25/58/50/776255850.db2.gz ZYQNNRVHOFYNCK-SMDDNHRTSA-N 1 1 314.386 -1.407 20 0 DAADMO CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001108264836 776255855 /nfs/dbraw/zinc/25/58/55/776255855.db2.gz ZYQNNRVHOFYNCK-SMDDNHRTSA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)CCCCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001100066244 776256421 /nfs/dbraw/zinc/25/64/21/776256421.db2.gz FDZPJPLFQIHMGG-RYUDHWBXSA-N 1 1 301.387 -1.034 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001086352009 776257103 /nfs/dbraw/zinc/25/71/03/776257103.db2.gz AYCARAMTZJEMTE-KYZUINATSA-N 1 1 321.341 -1.200 20 0 DAADMO O=C(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)NCC1CC1 ZINC001100068786 776257226 /nfs/dbraw/zinc/25/72/26/776257226.db2.gz AXNVPTHGLDNEIK-STQMWFEESA-N 1 1 313.398 -1.164 20 0 DAADMO Cc1cncn1CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098429043 776258042 /nfs/dbraw/zinc/25/80/42/776258042.db2.gz OYHNOTKNNJDOLG-UHFFFAOYSA-N 1 1 323.397 -1.038 20 0 DAADMO Cn1cnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)n1 ZINC001086357437 776258281 /nfs/dbraw/zinc/25/82/81/776258281.db2.gz JIVALPPDWGNYSS-KYZUINATSA-N 1 1 305.346 -1.363 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100079255 776260328 /nfs/dbraw/zinc/26/03/28/776260328.db2.gz WSHHLMJREIRHAV-VXGBXAGGSA-N 1 1 301.387 -1.164 20 0 DAADMO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)c2cnn[nH]2)C1)N1CCOCC1 ZINC001086413523 776260403 /nfs/dbraw/zinc/26/04/03/776260403.db2.gz LCJVJZWBIRPOGO-XYPYZODXSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001086413887 776260470 /nfs/dbraw/zinc/26/04/70/776260470.db2.gz BNCWDBPVZPNKMX-CIUDSAMLSA-N 1 1 306.326 -1.292 20 0 DAADMO CCNC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100079253 776261130 /nfs/dbraw/zinc/26/11/30/776261130.db2.gz WSHHLMJREIRHAV-NWDGAFQWSA-N 1 1 301.387 -1.164 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100084147 776262049 /nfs/dbraw/zinc/26/20/49/776262049.db2.gz XWVSMLBIFUTYCQ-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC001100084147 776262051 /nfs/dbraw/zinc/26/20/51/776262051.db2.gz XWVSMLBIFUTYCQ-ZIAGYGMSSA-N 1 1 317.430 -1.112 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100083323 776262059 /nfs/dbraw/zinc/26/20/59/776262059.db2.gz QFTNYSYVGGDWJI-VXGBXAGGSA-N 1 1 300.403 -1.245 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001086447806 776264158 /nfs/dbraw/zinc/26/41/58/776264158.db2.gz YCMCHVCBOPIQHH-OPRDCNLKSA-N 1 1 307.358 -1.669 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001086448668 776264359 /nfs/dbraw/zinc/26/43/59/776264359.db2.gz ODZTYMNKPKQLFM-GUBZILKMSA-N 1 1 322.373 -1.782 20 0 DAADMO Cn1nnnc1C[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001086448388 776264470 /nfs/dbraw/zinc/26/44/70/776264470.db2.gz WDMVJYUTZKRJCW-KYZUINATSA-N 1 1 320.357 -1.053 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115281786 776264510 /nfs/dbraw/zinc/26/45/10/776264510.db2.gz BJHZIDAPUVNZEV-PJXYFTJBSA-N 1 1 319.427 -1.303 20 0 DAADMO CN1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnnn3C)C2)C1=O ZINC001086452973 776265522 /nfs/dbraw/zinc/26/55/22/776265522.db2.gz ZOVQWWSJHPHUPH-DCAQKATOSA-N 1 1 321.385 -1.327 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101480 776269701 /nfs/dbraw/zinc/26/97/01/776269701.db2.gz MZDQISCJXOCRSA-NWDGAFQWSA-N 1 1 324.385 -1.646 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101480 776269707 /nfs/dbraw/zinc/26/97/07/776269707.db2.gz MZDQISCJXOCRSA-NWDGAFQWSA-N 1 1 324.385 -1.646 20 0 DAADMO O=C([C@@H]1CCNC1=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098448912 776271011 /nfs/dbraw/zinc/27/10/11/776271011.db2.gz XASALKWGOQVBTM-CYBMUJFWSA-N 1 1 313.398 -1.210 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)no1 ZINC001100110442 776271427 /nfs/dbraw/zinc/27/14/27/776271427.db2.gz VUSSHUNISHWIFJ-VHSXEESVSA-N 1 1 312.326 -1.535 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001100117902 776273110 /nfs/dbraw/zinc/27/31/10/776273110.db2.gz RAWXRJWOSZDMJV-VXGBXAGGSA-N 1 1 319.427 -1.113 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)c1ncn[nH]1)C(=O)NC(=O)NC1CC1 ZINC001168781235 776273290 /nfs/dbraw/zinc/27/32/90/776273290.db2.gz IBNMFRXKIIEERM-QMMMGPOBSA-N 1 1 323.357 -1.109 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)c1nc[nH]n1)C(=O)NC(=O)NC1CC1 ZINC001168781235 776273294 /nfs/dbraw/zinc/27/32/94/776273294.db2.gz IBNMFRXKIIEERM-QMMMGPOBSA-N 1 1 323.357 -1.109 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001100118124 776273372 /nfs/dbraw/zinc/27/33/72/776273372.db2.gz VUUAUAMUAVWZJJ-MNOVXSKESA-N 1 1 305.400 -1.503 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291507 776274034 /nfs/dbraw/zinc/27/40/34/776274034.db2.gz RVMPVXRVXSDURY-GXFFZTMASA-N 1 1 314.342 -1.102 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2cnon2)C1 ZINC001108291507 776274040 /nfs/dbraw/zinc/27/40/40/776274040.db2.gz RVMPVXRVXSDURY-GXFFZTMASA-N 1 1 314.342 -1.102 20 0 DAADMO C[C@@H](CNc1nccn2nnnc12)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001108302751 776275909 /nfs/dbraw/zinc/27/59/09/776275909.db2.gz DDHMNHGFGFGQHP-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@@H](CNc1nccn2nnnc12)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001108302751 776275917 /nfs/dbraw/zinc/27/59/17/776275917.db2.gz DDHMNHGFGFGQHP-VHSXEESVSA-N 1 1 320.357 -1.234 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnccc2=O)C[N@H+](CCO)CCO1 ZINC001108312117 776276179 /nfs/dbraw/zinc/27/61/79/776276179.db2.gz AINYLZIXQCDQKM-HNNXBMFYSA-N 1 1 324.381 -1.167 20 0 DAADMO C[C@]1(CNC(=O)CCn2cnccc2=O)C[N@@H+](CCO)CCO1 ZINC001108312117 776276187 /nfs/dbraw/zinc/27/61/87/776276187.db2.gz AINYLZIXQCDQKM-HNNXBMFYSA-N 1 1 324.381 -1.167 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)n1 ZINC001108354556 776276893 /nfs/dbraw/zinc/27/68/93/776276893.db2.gz LEBUSEDKOLRGLV-HNNXBMFYSA-N 1 1 324.381 -1.249 20 0 DAADMO Cc1ccc(=O)n(CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)n1 ZINC001108354556 776276900 /nfs/dbraw/zinc/27/69/00/776276900.db2.gz LEBUSEDKOLRGLV-HNNXBMFYSA-N 1 1 324.381 -1.249 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100122931 776277098 /nfs/dbraw/zinc/27/70/98/776277098.db2.gz YZWFMMRZFXSIJR-WDEREUQCSA-N 1 1 323.415 -2.188 20 0 DAADMO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ncn[nH]1 ZINC001168789363 776277773 /nfs/dbraw/zinc/27/77/73/776277773.db2.gz MNYJALFVTCRYFH-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1nc[nH]n1 ZINC001168789363 776277777 /nfs/dbraw/zinc/27/77/77/776277777.db2.gz MNYJALFVTCRYFH-UHFFFAOYSA-N 1 1 311.346 -1.250 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001100125493 776278800 /nfs/dbraw/zinc/27/88/00/776278800.db2.gz ZHCYPRKZPUIRDT-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383187 776278930 /nfs/dbraw/zinc/27/89/30/776278930.db2.gz ZDPQFVRWWUJCNK-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108383187 776278935 /nfs/dbraw/zinc/27/89/35/776278935.db2.gz ZDPQFVRWWUJCNK-IAQYHMDHSA-N 1 1 324.381 -1.018 20 0 DAADMO O=C(CNC(=O)C1CCC1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001100125494 776279538 /nfs/dbraw/zinc/27/95/38/776279538.db2.gz ZHCYPRKZPUIRDT-QWHCGFSZSA-N 1 1 313.398 -1.164 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CN(CC(N)=O)CCO1 ZINC001108398633 776280182 /nfs/dbraw/zinc/28/01/82/776280182.db2.gz IZHVPCXXLOULKW-CQSZACIVSA-N 1 1 309.370 -1.116 20 0 DAADMO CNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394406 776280470 /nfs/dbraw/zinc/28/04/70/776280470.db2.gz HVLCTPXODNMMLB-WFASDCNBSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115287745 776281188 /nfs/dbraw/zinc/28/11/88/776281188.db2.gz DHHDVPDALJKOAI-YABSGUDNSA-N 1 1 306.370 -1.151 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)c2cnon2)n1 ZINC001168892852 776281759 /nfs/dbraw/zinc/28/17/59/776281759.db2.gz VFHOQWUSXGQOJN-UHFFFAOYSA-N 1 1 323.313 -1.349 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108417986 776281838 /nfs/dbraw/zinc/28/18/38/776281838.db2.gz MCLWHMGMGAAKDQ-AWEZNQCLSA-N 1 1 316.402 -1.107 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108417986 776281843 /nfs/dbraw/zinc/28/18/43/776281843.db2.gz MCLWHMGMGAAKDQ-AWEZNQCLSA-N 1 1 316.402 -1.107 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[N@H+](CCO)CCO1 ZINC001108402943 776282368 /nfs/dbraw/zinc/28/23/68/776282368.db2.gz QYPRHMCKSFHDPM-PWSUYJOCSA-N 1 1 321.399 -2.123 20 0 DAADMO C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)N2)C[N@@H+](CCO)CCO1 ZINC001108402943 776282376 /nfs/dbraw/zinc/28/23/76/776282376.db2.gz QYPRHMCKSFHDPM-PWSUYJOCSA-N 1 1 321.399 -2.123 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)nn1 ZINC001108443362 776283783 /nfs/dbraw/zinc/28/37/83/776283783.db2.gz LKQXLVDWRQWCJQ-AWEZNQCLSA-N 1 1 311.386 -1.053 20 0 DAADMO Cn1cc(CCC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001108443362 776283788 /nfs/dbraw/zinc/28/37/88/776283788.db2.gz LKQXLVDWRQWCJQ-AWEZNQCLSA-N 1 1 311.386 -1.053 20 0 DAADMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001169100683 776285150 /nfs/dbraw/zinc/28/51/50/776285150.db2.gz LHTURAVYAUMKGK-DKGRRDFJSA-N 1 1 302.371 -1.999 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C(F)F)CC2=O)C1 ZINC001108492927 776291266 /nfs/dbraw/zinc/29/12/66/776291266.db2.gz BATJLJWRODUIIH-PSASIEDQSA-N 1 1 321.324 -1.340 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCF)C2)C1 ZINC001108501917 776293986 /nfs/dbraw/zinc/29/39/86/776293986.db2.gz CCDYLQCGWJOLIN-SECBINFHSA-N 1 1 315.349 -1.584 20 0 DAADMO CCOC(=O)N1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001169671154 776297652 /nfs/dbraw/zinc/29/76/52/776297652.db2.gz DFEBTGNGLQBPBN-ZDEQEGDKSA-N 1 1 312.418 -1.010 20 0 DAADMO COC[C@H](C)[NH+]1CC(N2C[C@H](NC(=O)CC(N)=O)CC2=O)C1 ZINC001108523541 776298319 /nfs/dbraw/zinc/29/83/19/776298319.db2.gz LPYXJOIWYQLIBJ-VHSXEESVSA-N 1 1 312.370 -1.702 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC(C)(C)O)CC2=O)C1 ZINC001108541761 776301355 /nfs/dbraw/zinc/30/13/55/776301355.db2.gz ZBOVZFOZZDXDQP-WDEREUQCSA-N 1 1 313.398 -1.071 20 0 DAADMO COC[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566015 776306712 /nfs/dbraw/zinc/30/67/12/776306712.db2.gz CJUXPMDAIPFDMC-WPRPVWTQSA-N 1 1 314.342 -3.120 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001169890736 776306814 /nfs/dbraw/zinc/30/68/14/776306814.db2.gz RLRDYANPOZVKEC-GXFFZTMASA-N 1 1 301.343 -1.316 20 0 DAADMO COC[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C(N)=O)CC2=O)C1 ZINC001108566008 776307273 /nfs/dbraw/zinc/30/72/73/776307273.db2.gz CJUXPMDAIPFDMC-PSASIEDQSA-N 1 1 314.342 -3.120 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001169890734 776307413 /nfs/dbraw/zinc/30/74/13/776307413.db2.gz RLRDYANPOZVKEC-GWCFXTLKSA-N 1 1 301.343 -1.316 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)CCNC(N)=O)CC2=O)C1 ZINC001108590823 776310494 /nfs/dbraw/zinc/31/04/94/776310494.db2.gz OPRJRPPEAQKWSH-JTQLQIEISA-N 1 1 311.386 -1.144 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)CCNC(N)=O)CC2=O)C1 ZINC001108590505 776310796 /nfs/dbraw/zinc/31/07/96/776310796.db2.gz LXKVHWRAPWRZJO-JTQLQIEISA-N 1 1 311.386 -1.146 20 0 DAADMO Cn1ccc(=O)c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)c1 ZINC001090420559 776313174 /nfs/dbraw/zinc/31/31/74/776313174.db2.gz OVKNLITVROTNPX-GXTWGEPZSA-N 1 1 309.366 -1.067 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108920836 776318264 /nfs/dbraw/zinc/31/82/64/776318264.db2.gz SQZZTGIWYMNSIK-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108920836 776318271 /nfs/dbraw/zinc/31/82/71/776318271.db2.gz SQZZTGIWYMNSIK-VWYCJHECSA-N 1 1 311.386 -1.146 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001108920863 776318436 /nfs/dbraw/zinc/31/84/36/776318436.db2.gz UYVUJSBNLKIKGV-VWYCJHECSA-N 1 1 309.370 -1.392 20 0 DAADMO NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001108920863 776318449 /nfs/dbraw/zinc/31/84/49/776318449.db2.gz UYVUJSBNLKIKGV-VWYCJHECSA-N 1 1 309.370 -1.392 20 0 DAADMO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2)C1CC1 ZINC001108910716 776318859 /nfs/dbraw/zinc/31/88/59/776318859.db2.gz WARDJNDUIZCPLU-WOPDTQHZSA-N 1 1 323.397 -1.003 20 0 DAADMO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2)C1CC1 ZINC001108910716 776318870 /nfs/dbraw/zinc/31/88/70/776318870.db2.gz WARDJNDUIZCPLU-WOPDTQHZSA-N 1 1 323.397 -1.003 20 0 DAADMO CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108912993 776320042 /nfs/dbraw/zinc/32/00/42/776320042.db2.gz FKQAEEUBBWSWKN-NOOOWODRSA-N 1 1 323.397 -1.003 20 0 DAADMO CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108917150 776320120 /nfs/dbraw/zinc/32/01/20/776320120.db2.gz RVGNIIIRGPNEFD-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)C1=O ZINC001108917150 776320128 /nfs/dbraw/zinc/32/01/28/776320128.db2.gz RVGNIIIRGPNEFD-RHYQMDGZSA-N 1 1 323.397 -1.003 20 0 DAADMO Cn1ccc2cc[nH+]c(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c21 ZINC001169972527 776322031 /nfs/dbraw/zinc/32/20/31/776322031.db2.gz VPYFUYHQIWALFB-FJBPVTJJSA-N 1 1 309.322 -1.215 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001108986555 776323539 /nfs/dbraw/zinc/32/35/39/776323539.db2.gz SFYARTOEAMRQRK-VPOLOUISSA-N 1 1 310.354 -1.048 20 0 DAADMO COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001108986555 776323547 /nfs/dbraw/zinc/32/35/47/776323547.db2.gz SFYARTOEAMRQRK-VPOLOUISSA-N 1 1 310.354 -1.048 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129380107 776324984 /nfs/dbraw/zinc/32/49/84/776324984.db2.gz DEMUTCKOZQAYBC-LLVKDONJSA-N 1 1 321.389 -1.757 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001109106614 776326760 /nfs/dbraw/zinc/32/67/60/776326760.db2.gz WUFQAXOBNIPJDQ-KATARQTJSA-N 1 1 308.338 -1.612 20 0 DAADMO NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001109106614 776326765 /nfs/dbraw/zinc/32/67/65/776326765.db2.gz WUFQAXOBNIPJDQ-KATARQTJSA-N 1 1 308.338 -1.612 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001109168504 776328498 /nfs/dbraw/zinc/32/84/98/776328498.db2.gz YZBKKQMGTSAPRZ-VWYCJHECSA-N 1 1 322.369 -1.159 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CN=NC1=O)C2 ZINC001109168504 776328506 /nfs/dbraw/zinc/32/85/06/776328506.db2.gz YZBKKQMGTSAPRZ-VWYCJHECSA-N 1 1 322.369 -1.159 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(N)=O ZINC001109237157 776331294 /nfs/dbraw/zinc/33/12/94/776331294.db2.gz WUBUZZUOEXOZIZ-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(N)=O ZINC001109237157 776331306 /nfs/dbraw/zinc/33/13/06/776331306.db2.gz WUBUZZUOEXOZIZ-VLEAKVRGSA-N 1 1 311.386 -1.099 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1COC(=O)N1 ZINC001109218388 776331658 /nfs/dbraw/zinc/33/16/58/776331658.db2.gz HCODRNXPMDCEDS-KXNHARMFSA-N 1 1 313.354 -1.175 20 0 DAADMO Cn1nnc(CNCCNC(=O)[C@H](Cn2cccn2)[NH+](C)C)n1 ZINC001129386940 776331733 /nfs/dbraw/zinc/33/17/33/776331733.db2.gz QYBVPXLYSJUVOK-NSHDSACASA-N 1 1 321.389 -1.757 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccnc2n[nH]nc21 ZINC001090424686 776333177 /nfs/dbraw/zinc/33/31/77/776333177.db2.gz GHLXKWSGHCMAGS-UWVGGRQHSA-N 1 1 306.326 -1.490 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001109376079 776335553 /nfs/dbraw/zinc/33/55/53/776335553.db2.gz QOXAFNRXRDCUGC-RHYQMDGZSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001109376079 776335561 /nfs/dbraw/zinc/33/55/61/776335561.db2.gz QOXAFNRXRDCUGC-RHYQMDGZSA-N 1 1 323.397 -1.085 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109375873 776335587 /nfs/dbraw/zinc/33/55/87/776335587.db2.gz LFPHOSHHGVTICP-WOPDTQHZSA-N 1 1 321.385 -1.071 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109375686 776336142 /nfs/dbraw/zinc/33/61/42/776336142.db2.gz GYCYVIHKEXKKET-VPOLOUISSA-N 1 1 309.370 -1.475 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109375686 776336158 /nfs/dbraw/zinc/33/61/58/776336158.db2.gz GYCYVIHKEXKKET-VPOLOUISSA-N 1 1 309.370 -1.475 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccnc2n[nH]nc21 ZINC001090426100 776336829 /nfs/dbraw/zinc/33/68/29/776336829.db2.gz USVQMKKLDLCTIP-WDEREUQCSA-N 1 1 320.353 -1.100 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CNC(=O)N1 ZINC001109652668 776337252 /nfs/dbraw/zinc/33/72/52/776337252.db2.gz DRXGYDDJHQJRQL-KXNHARMFSA-N 1 1 312.370 -1.602 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001109564006 776338759 /nfs/dbraw/zinc/33/87/59/776338759.db2.gz CGFIPWOMGQDJDL-ZNSHCXBVSA-N 1 1 320.415 -1.858 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)O ZINC001109564000 776338934 /nfs/dbraw/zinc/33/89/34/776338934.db2.gz CGFIPWOMGQDJDL-VLEAKVRGSA-N 1 1 320.415 -1.858 20 0 DAADMO NC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115350689 776341489 /nfs/dbraw/zinc/34/14/89/776341489.db2.gz VTCYRKSOQIWQLT-YABSGUDNSA-N 1 1 306.370 -1.020 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)C(N)=O ZINC001109808632 776342379 /nfs/dbraw/zinc/34/23/79/776342379.db2.gz QEWGDSLCLZXKEI-RHYQMDGZSA-N 1 1 312.370 -1.920 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109764835 776342468 /nfs/dbraw/zinc/34/24/68/776342468.db2.gz MAYROPIYXHXXKR-ZNSHCXBVSA-N 1 1 305.400 -1.362 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109882931 776343208 /nfs/dbraw/zinc/34/32/08/776343208.db2.gz WEMYUSWJTKWEBE-USZNOCQGSA-N 1 1 321.385 -1.081 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109882931 776343218 /nfs/dbraw/zinc/34/32/18/776343218.db2.gz WEMYUSWJTKWEBE-USZNOCQGSA-N 1 1 321.385 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109879938 776344376 /nfs/dbraw/zinc/34/43/76/776344376.db2.gz SPJDIEZFZDSVJO-VLEAKVRGSA-N 1 1 307.358 -1.342 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109879938 776344387 /nfs/dbraw/zinc/34/43/87/776344387.db2.gz SPJDIEZFZDSVJO-VLEAKVRGSA-N 1 1 307.358 -1.342 20 0 DAADMO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881188 776344826 /nfs/dbraw/zinc/34/48/26/776344826.db2.gz HASPNJKDWVCGMH-WOPDTQHZSA-N 1 1 321.385 -1.079 20 0 DAADMO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnnn1)C2 ZINC001109881188 776344834 /nfs/dbraw/zinc/34/48/34/776344834.db2.gz HASPNJKDWVCGMH-WOPDTQHZSA-N 1 1 321.385 -1.079 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001098459734 776345413 /nfs/dbraw/zinc/34/54/13/776345413.db2.gz LPXJVKDKGIRIBR-AWEZNQCLSA-N 1 1 317.361 -1.114 20 0 DAADMO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CCC(=O)N1 ZINC001110001158 776345451 /nfs/dbraw/zinc/34/54/51/776345451.db2.gz PBFFSSVZDWIYTP-VOAKCMCISA-N 1 1 311.382 -1.005 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100135854 776345485 /nfs/dbraw/zinc/34/54/85/776345485.db2.gz CZFGSRGJRBZMMO-WDEREUQCSA-N 1 1 314.342 -1.448 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090434119 776346359 /nfs/dbraw/zinc/34/63/59/776346359.db2.gz VIRVDQRQLGTNTA-NWDGAFQWSA-N 1 1 309.370 -1.511 20 0 DAADMO COc1coc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)cc1=O ZINC001090431813 776346557 /nfs/dbraw/zinc/34/65/57/776346557.db2.gz CVTUTEPALRNJBM-KOLCDFICSA-N 1 1 312.322 -1.194 20 0 DAADMO COc1coc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1=O ZINC001090431813 776346566 /nfs/dbraw/zinc/34/65/66/776346566.db2.gz CVTUTEPALRNJBM-KOLCDFICSA-N 1 1 312.322 -1.194 20 0 DAADMO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@@H]1O ZINC001090431784 776346921 /nfs/dbraw/zinc/34/69/21/776346921.db2.gz CUIJRIXKJXQLPS-OLZOCXBDSA-N 1 1 323.397 -1.169 20 0 DAADMO C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001110049848 776347451 /nfs/dbraw/zinc/34/74/51/776347451.db2.gz AKQMNQWFNBCBJF-USZNOCQGSA-N 1 1 319.427 -1.020 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001110079818 776349171 /nfs/dbraw/zinc/34/91/71/776349171.db2.gz WQWUFYVOEKFHSG-VPOLOUISSA-N 1 1 309.370 -1.345 20 0 DAADMO NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001110079818 776349179 /nfs/dbraw/zinc/34/91/79/776349179.db2.gz WQWUFYVOEKFHSG-VPOLOUISSA-N 1 1 309.370 -1.345 20 0 DAADMO CC(=O)NCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112599714 776349813 /nfs/dbraw/zinc/34/98/13/776349813.db2.gz RNTOTXVSZCAPOC-CYBMUJFWSA-N 1 1 309.370 -1.476 20 0 DAADMO CC(=O)NCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001112599715 776349903 /nfs/dbraw/zinc/34/99/03/776349903.db2.gz RNTOTXVSZCAPOC-ZDUSSCGKSA-N 1 1 309.370 -1.476 20 0 DAADMO CC(=O)NCCOCC[NH+]1CCN(C(=O)CNC(C)=O)CC1 ZINC001112598958 776350602 /nfs/dbraw/zinc/35/06/02/776350602.db2.gz MUHLVMZFSCJFJR-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO O=C(Cn1ncc2cccnc21)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090440974 776350885 /nfs/dbraw/zinc/35/08/85/776350885.db2.gz HZFILMMFTOOIEQ-STQMWFEESA-N 1 1 319.365 -1.025 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001112604824 776350925 /nfs/dbraw/zinc/35/09/25/776350925.db2.gz SKJUCMJYMPJWGQ-LLVKDONJSA-N 1 1 310.358 -1.944 20 0 DAADMO NC(=O)NCC(=O)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC001112604937 776350950 /nfs/dbraw/zinc/35/09/50/776350950.db2.gz YUEXSBKHSYVPSM-UHFFFAOYSA-N 1 1 311.386 -1.189 20 0 DAADMO Cc1cc(N2C[C@@H](CNC(=O)CC(N)=O)[C@H](O)C2)nc(C)[nH+]1 ZINC001112722476 776364580 /nfs/dbraw/zinc/36/45/80/776364580.db2.gz HWMUCORFOIQRFG-GHMZBOCLSA-N 1 1 307.354 -1.118 20 0 DAADMO Cc1cc(N2C[C@@H](O)[C@@H](CNC(=O)CC(N)=O)C2)nc(C)[nH+]1 ZINC001112722479 776364606 /nfs/dbraw/zinc/36/46/06/776364606.db2.gz HWMUCORFOIQRFG-WDEREUQCSA-N 1 1 307.354 -1.118 20 0 DAADMO COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(C(=O)CC(N)=O)CC1 ZINC001112732525 776365891 /nfs/dbraw/zinc/36/58/91/776365891.db2.gz PCOGXEIVTLGSFV-RYUDHWBXSA-N 1 1 317.386 -1.582 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001112739788 776369357 /nfs/dbraw/zinc/36/93/57/776369357.db2.gz NEZWWVAZDFPEIE-JTQLQIEISA-N 1 1 313.358 -2.344 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001112739788 776369363 /nfs/dbraw/zinc/36/93/63/776369363.db2.gz NEZWWVAZDFPEIE-JTQLQIEISA-N 1 1 313.358 -2.344 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001112847223 776378700 /nfs/dbraw/zinc/37/87/00/776378700.db2.gz WCMUHAORXQPZPJ-LLVKDONJSA-N 1 1 323.415 -1.923 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001112848786 776379548 /nfs/dbraw/zinc/37/95/48/776379548.db2.gz USICMJAWCQOFNM-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001112885477 776382626 /nfs/dbraw/zinc/38/26/26/776382626.db2.gz ZQBLLFJCDWFENW-LLVKDONJSA-N 1 1 320.353 -1.111 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001112915359 776384506 /nfs/dbraw/zinc/38/45/06/776384506.db2.gz NKVREEYXXZTFSJ-LLVKDONJSA-N 1 1 323.415 -1.971 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001112920770 776385736 /nfs/dbraw/zinc/38/57/36/776385736.db2.gz JROTYOAQQMTPAJ-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CNC(=O)NCC(=O)N1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC001112925021 776385975 /nfs/dbraw/zinc/38/59/75/776385975.db2.gz VXSZTWMHZXTLAZ-UHFFFAOYSA-N 1 1 321.381 -1.042 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001112974681 776387134 /nfs/dbraw/zinc/38/71/34/776387134.db2.gz GROVTYDAMWSMMV-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001112969672 776387260 /nfs/dbraw/zinc/38/72/60/776387260.db2.gz VPMBJAFZAQZBRT-LBPRGKRZSA-N 1 1 315.370 -2.003 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cc(=O)n(C)cn2)CC1 ZINC001112978315 776387485 /nfs/dbraw/zinc/38/74/85/776387485.db2.gz JIPADAKKVKPASW-LLVKDONJSA-N 1 1 310.354 -1.455 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098463508 776391936 /nfs/dbraw/zinc/39/19/36/776391936.db2.gz OSOIXFMCKVDIND-GFCCVEGCSA-N 1 1 314.386 -1.665 20 0 DAADMO O=C([C@@H]1CNC(=O)N1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098463509 776392307 /nfs/dbraw/zinc/39/23/07/776392307.db2.gz OSOIXFMCKVDIND-LBPRGKRZSA-N 1 1 314.386 -1.665 20 0 DAADMO NC(=O)C(=O)N1CCC([N@@H+](CCO)CC(=O)N2CCC2)CC1 ZINC001098464872 776393880 /nfs/dbraw/zinc/39/38/80/776393880.db2.gz KGEIGOFYGUWPLV-UHFFFAOYSA-N 1 1 312.370 -2.011 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001113156544 776394151 /nfs/dbraw/zinc/39/41/51/776394151.db2.gz KMCNCWIXZQPIOU-LLVKDONJSA-N 1 1 322.431 -1.655 20 0 DAADMO Cc1cc(C[N@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1C ZINC001098464919 776394435 /nfs/dbraw/zinc/39/44/35/776394435.db2.gz MJMWQLRCMSOUTL-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO Cc1cc(C[N@@H+](CCO)C2CCN(C(=O)C(N)=O)CC2)nn1C ZINC001098464919 776394450 /nfs/dbraw/zinc/39/44/50/776394450.db2.gz MJMWQLRCMSOUTL-UHFFFAOYSA-N 1 1 323.397 -1.001 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC001113156545 776394501 /nfs/dbraw/zinc/39/45/01/776394501.db2.gz KMCNCWIXZQPIOU-NSHDSACASA-N 1 1 322.431 -1.655 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2cn(C)c(=O)cn2)CC1 ZINC001113128925 776394522 /nfs/dbraw/zinc/39/45/22/776394522.db2.gz KZVSUQIYCRATGO-LLVKDONJSA-N 1 1 310.354 -1.455 20 0 DAADMO Cn1nccc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098464493 776394847 /nfs/dbraw/zinc/39/48/47/776394847.db2.gz ACRQZYBVJZEXBJ-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO Cn1ccnc1C[N@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465146 776395289 /nfs/dbraw/zinc/39/52/89/776395289.db2.gz ZCBGMZIBGZTEKA-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO Cn1ccnc1C[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465146 776395296 /nfs/dbraw/zinc/39/52/96/776395296.db2.gz ZCBGMZIBGZTEKA-UHFFFAOYSA-N 1 1 309.370 -1.309 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[NH+](CC[C@@H](C)F)CC1 ZINC001113156740 776395699 /nfs/dbraw/zinc/39/56/99/776395699.db2.gz VZTINJOQYHZKPQ-SNVBAGLBSA-N 1 1 310.395 -1.068 20 0 DAADMO C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)C(N)=O)CC1 ZINC001098465435 776402377 /nfs/dbraw/zinc/40/23/77/776402377.db2.gz PHSCIRVUORMOBU-NSHDSACASA-N 1 1 301.387 -1.082 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 ZINC001113349468 776403146 /nfs/dbraw/zinc/40/31/46/776403146.db2.gz XYSHFFKNVXKUGF-XQQFMLRXSA-N 1 1 313.398 -1.138 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC001115016056 776403865 /nfs/dbraw/zinc/40/38/65/776403865.db2.gz OLKSSSPQHNMWNX-MAWWSGROSA-N 1 1 324.381 -1.085 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC001115016056 776403868 /nfs/dbraw/zinc/40/38/68/776403868.db2.gz OLKSSSPQHNMWNX-MAWWSGROSA-N 1 1 324.381 -1.085 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001113346329 776404066 /nfs/dbraw/zinc/40/40/66/776404066.db2.gz VXQUOOOWUQJZKV-LLVKDONJSA-N 1 1 311.386 -1.333 20 0 DAADMO COC[C@@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC001113391380 776405228 /nfs/dbraw/zinc/40/52/28/776405228.db2.gz AQCBNNYAZUHYAV-LLVKDONJSA-N 1 1 322.431 -1.439 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001113386537 776405428 /nfs/dbraw/zinc/40/54/28/776405428.db2.gz LSOIEIHRVCMGDY-UWVGGRQHSA-N 1 1 314.342 -2.264 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001113386694 776405753 /nfs/dbraw/zinc/40/57/53/776405753.db2.gz QKUKOQFXFMZQSI-MNOVXSKESA-N 1 1 312.370 -1.110 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001113437706 776408313 /nfs/dbraw/zinc/40/83/13/776408313.db2.gz FOHLMNNHEGWYRM-JTQLQIEISA-N 1 1 314.342 -2.310 20 0 DAADMO C[C@@H](O)CCC[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC001113437827 776408583 /nfs/dbraw/zinc/40/85/83/776408583.db2.gz NWBONSFHXLTLFU-LLVKDONJSA-N 1 1 312.370 -1.157 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001113474246 776410106 /nfs/dbraw/zinc/41/01/06/776410106.db2.gz FCTWPSYJPMOFEU-CYBMUJFWSA-N 1 1 324.381 -1.215 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098467862 776414522 /nfs/dbraw/zinc/41/45/22/776414522.db2.gz ZJNNAFVXJSJGFU-UHFFFAOYSA-N 1 1 300.403 -1.291 20 0 DAADMO C[NH+](C)CCC(=O)N1CCC(N(CCO)CC(N)=O)CC1 ZINC001098467862 776414524 /nfs/dbraw/zinc/41/45/24/776414524.db2.gz ZJNNAFVXJSJGFU-UHFFFAOYSA-N 1 1 300.403 -1.291 20 0 DAADMO NC(=O)NCCC(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC001113618950 776415146 /nfs/dbraw/zinc/41/51/46/776415146.db2.gz ASVBSWOONDGASX-LLVKDONJSA-N 1 1 321.385 -1.032 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001113618985 776415535 /nfs/dbraw/zinc/41/55/35/776415535.db2.gz CNIIQQBMEQMVPF-CYBMUJFWSA-N 1 1 309.366 -1.000 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017718 776416176 /nfs/dbraw/zinc/41/61/76/776416176.db2.gz DPPACTPUIJRSCJ-UXCLJVHYSA-N 1 1 307.358 -1.756 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001113634455 776416345 /nfs/dbraw/zinc/41/63/45/776416345.db2.gz DOOGHTVBRGHZSZ-LLVKDONJSA-N 1 1 310.354 -1.121 20 0 DAADMO C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113631666 776416531 /nfs/dbraw/zinc/41/65/31/776416531.db2.gz FKNRPPKZBYDURZ-GHMZBOCLSA-N 1 1 311.386 -1.334 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C[C@H](O)COC)CC2)C1 ZINC001113658043 776417304 /nfs/dbraw/zinc/41/73/04/776417304.db2.gz FDFORBNMZWWORX-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C[C@H](O)COC)CC2)C1 ZINC001113658043 776417308 /nfs/dbraw/zinc/41/73/08/776417308.db2.gz FDFORBNMZWWORX-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001113673505 776417412 /nfs/dbraw/zinc/41/74/12/776417412.db2.gz VRZPXBPJUGGYOJ-CHWSQXEVSA-N 1 1 323.397 -1.008 20 0 DAADMO C[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001113679546 776417549 /nfs/dbraw/zinc/41/75/49/776417549.db2.gz YCQAAFKUYGGAMW-NSHDSACASA-N 1 1 310.358 -2.081 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1CC[NH+](CCCF)CC1 ZINC001113679406 776417873 /nfs/dbraw/zinc/41/78/73/776417873.db2.gz RJLHIZISNXJACG-UHFFFAOYSA-N 1 1 312.349 -1.102 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001113637153 776418057 /nfs/dbraw/zinc/41/80/57/776418057.db2.gz MVVSOWLHWAHTKZ-GHMZBOCLSA-N 1 1 321.399 -2.170 20 0 DAADMO COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001113673507 776418070 /nfs/dbraw/zinc/41/80/70/776418070.db2.gz VRZPXBPJUGGYOJ-QWHCGFSZSA-N 1 1 323.397 -1.008 20 0 DAADMO COCCC[NH+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001113637554 776418103 /nfs/dbraw/zinc/41/81/03/776418103.db2.gz UDMPTCSUDOHZPH-LLVKDONJSA-N 1 1 305.400 -1.141 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C[C@@H](O)COC)CC2)C1 ZINC001113658042 776418274 /nfs/dbraw/zinc/41/82/74/776418274.db2.gz FDFORBNMZWWORX-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(C[C@@H](O)COC)CC2)C1 ZINC001113658042 776418279 /nfs/dbraw/zinc/41/82/79/776418279.db2.gz FDFORBNMZWWORX-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113681369 776419347 /nfs/dbraw/zinc/41/93/47/776419347.db2.gz RPJXDGLFDBCVFN-NSHDSACASA-N 1 1 316.402 -1.155 20 0 DAADMO COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001113728653 776419949 /nfs/dbraw/zinc/41/99/49/776419949.db2.gz BNTRWROZWKQGHR-RYUDHWBXSA-N 1 1 314.386 -1.319 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001113770930 776421517 /nfs/dbraw/zinc/42/15/17/776421517.db2.gz XHTHAUYBEITISX-IAZYJMLFSA-N 1 1 310.354 -1.346 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC001113770930 776421521 /nfs/dbraw/zinc/42/15/21/776421521.db2.gz XHTHAUYBEITISX-IAZYJMLFSA-N 1 1 310.354 -1.346 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001113764227 776421579 /nfs/dbraw/zinc/42/15/79/776421579.db2.gz HOAXZGILPVKGQU-IWIIMEHWSA-N 1 1 310.354 -1.333 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001113764227 776421586 /nfs/dbraw/zinc/42/15/86/776421586.db2.gz HOAXZGILPVKGQU-IWIIMEHWSA-N 1 1 310.354 -1.333 20 0 DAADMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001113764515 776422338 /nfs/dbraw/zinc/42/23/38/776422338.db2.gz MDSRHLWDQFDZLE-UUIJZJDISA-N 1 1 311.382 -1.338 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001113793984 776423376 /nfs/dbraw/zinc/42/33/76/776423376.db2.gz VIRMXZWLKZADNG-PJXYFTJBSA-N 1 1 309.370 -1.806 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113787400 776423962 /nfs/dbraw/zinc/42/39/62/776423962.db2.gz LUDBVMBDWNPNMB-JYAVWHMHSA-N 1 1 308.382 -1.305 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113787400 776423967 /nfs/dbraw/zinc/42/39/67/776423967.db2.gz LUDBVMBDWNPNMB-JYAVWHMHSA-N 1 1 308.382 -1.305 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001113787555 776424149 /nfs/dbraw/zinc/42/41/49/776424149.db2.gz OVJGFALPYIHCAA-JYAVWHMHSA-N 1 1 308.382 -1.209 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113814210 776425290 /nfs/dbraw/zinc/42/52/90/776425290.db2.gz YWOFIKCZPSGDTH-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001113814210 776425292 /nfs/dbraw/zinc/42/52/92/776425292.db2.gz YWOFIKCZPSGDTH-IAZYJMLFSA-N 1 1 305.400 -1.382 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001113826579 776425979 /nfs/dbraw/zinc/42/59/79/776425979.db2.gz ZVAZVYUVYTWRLP-KMLBCRHOSA-N 1 1 306.370 -1.114 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001113826579 776425986 /nfs/dbraw/zinc/42/59/86/776425986.db2.gz ZVAZVYUVYTWRLP-KMLBCRHOSA-N 1 1 306.370 -1.114 20 0 DAADMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001113822390 776426297 /nfs/dbraw/zinc/42/62/97/776426297.db2.gz LXFMGNGVCNYYKE-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113825098 776426508 /nfs/dbraw/zinc/42/65/08/776426508.db2.gz HCUFDHGRHIHYFP-XFOOOJQKSA-N 1 1 308.382 -1.164 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001113825098 776426513 /nfs/dbraw/zinc/42/65/13/776426513.db2.gz HCUFDHGRHIHYFP-XFOOOJQKSA-N 1 1 308.382 -1.164 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001113831879 776427485 /nfs/dbraw/zinc/42/74/85/776427485.db2.gz VOBRZHSUXRYXHS-WHOHXGKFSA-N 1 1 317.411 -1.239 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC001113831879 776427486 /nfs/dbraw/zinc/42/74/86/776427486.db2.gz VOBRZHSUXRYXHS-WHOHXGKFSA-N 1 1 317.411 -1.239 20 0 DAADMO COC(=O)[C@]1(F)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157716511 776427517 /nfs/dbraw/zinc/42/75/17/776427517.db2.gz OVTARFYYPSLEIW-RISCZKNCSA-N 1 1 316.377 -1.150 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O)c1cnco1 ZINC001090467677 776427542 /nfs/dbraw/zinc/42/75/42/776427542.db2.gz TZSOTRQOUYUPID-WDEREUQCSA-N 1 1 323.353 -1.135 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157716428 776427996 /nfs/dbraw/zinc/42/79/96/776427996.db2.gz NHWIGHDFCHFBGT-MNOVXSKESA-N 1 1 304.416 -1.413 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834563 776428726 /nfs/dbraw/zinc/42/87/26/776428726.db2.gz XDZGBEDAVBOILZ-PJXYFTJBSA-N 1 1 310.358 -1.618 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1=O ZINC001113834063 776428797 /nfs/dbraw/zinc/42/87/97/776428797.db2.gz OVWFQSMPTJDLSF-FJJYHAOUSA-N 1 1 311.382 -1.338 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113833823 776428963 /nfs/dbraw/zinc/42/89/63/776428963.db2.gz KPBMTVMPCLWHIB-YABSGUDNSA-N 1 1 319.369 -1.754 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001113833823 776428967 /nfs/dbraw/zinc/42/89/67/776428967.db2.gz KPBMTVMPCLWHIB-YABSGUDNSA-N 1 1 319.369 -1.754 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113833838 776429189 /nfs/dbraw/zinc/42/91/89/776429189.db2.gz KRLGDFKJMCIWHQ-XZUYRWCXSA-N 1 1 321.385 -1.236 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001113842108 776430189 /nfs/dbraw/zinc/43/01/89/776430189.db2.gz MTZHCVOPDRBPTO-MEWQQHAOSA-N 1 1 322.369 -2.041 20 0 DAADMO CSCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113840430 776430333 /nfs/dbraw/zinc/43/03/33/776430333.db2.gz ZCYJXHWXTMRZQP-VROVMSAKSA-N 1 1 300.384 -1.019 20 0 DAADMO CSCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001113840430 776430339 /nfs/dbraw/zinc/43/03/39/776430339.db2.gz ZCYJXHWXTMRZQP-VROVMSAKSA-N 1 1 300.384 -1.019 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834681 776430638 /nfs/dbraw/zinc/43/06/38/776430638.db2.gz ZLJALKGXAYJJAE-YABSGUDNSA-N 1 1 321.385 -1.508 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnnn1 ZINC001113834681 776430642 /nfs/dbraw/zinc/43/06/42/776430642.db2.gz ZLJALKGXAYJJAE-YABSGUDNSA-N 1 1 321.385 -1.508 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113841708 776430684 /nfs/dbraw/zinc/43/06/84/776430684.db2.gz GOIIHCQVSLSEMB-QAHWYCSRSA-N 1 1 309.370 -1.632 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113842724 776431474 /nfs/dbraw/zinc/43/14/74/776431474.db2.gz YIQZDCKMSWFKKU-GJTWSCIVSA-N 1 1 323.397 -1.384 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O)C1CC1 ZINC001113842724 776431477 /nfs/dbraw/zinc/43/14/77/776431477.db2.gz YIQZDCKMSWFKKU-GJTWSCIVSA-N 1 1 323.397 -1.384 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854766 776431741 /nfs/dbraw/zinc/43/17/41/776431741.db2.gz NMTJMWRNXCCJRX-GDGBQDQQSA-N 1 1 306.326 -1.876 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854766 776431745 /nfs/dbraw/zinc/43/17/45/776431745.db2.gz NMTJMWRNXCCJRX-GDGBQDQQSA-N 1 1 306.326 -1.876 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854383 776431830 /nfs/dbraw/zinc/43/18/30/776431830.db2.gz GZOPVSLESGICSP-IWIIMEHWSA-N 1 1 320.353 -1.615 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC001113854383 776431833 /nfs/dbraw/zinc/43/18/33/776431833.db2.gz GZOPVSLESGICSP-IWIIMEHWSA-N 1 1 320.353 -1.615 20 0 DAADMO Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc1=O ZINC001113848756 776432529 /nfs/dbraw/zinc/43/25/29/776432529.db2.gz FDKYBIHEZLYULO-YABSGUDNSA-N 1 1 319.365 -1.400 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849513 776432539 /nfs/dbraw/zinc/43/25/39/776432539.db2.gz LFLFRPFLQWPSJE-IWIIMEHWSA-N 1 1 321.385 -1.179 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113849513 776432541 /nfs/dbraw/zinc/43/25/41/776432541.db2.gz LFLFRPFLQWPSJE-IWIIMEHWSA-N 1 1 321.385 -1.179 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(N)=O ZINC001113850192 776432682 /nfs/dbraw/zinc/43/26/82/776432682.db2.gz QAFHOLJUJGZHJU-IWIIMEHWSA-N 1 1 311.386 -1.431 20 0 DAADMO COc1nccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113850237 776432703 /nfs/dbraw/zinc/43/27/03/776432703.db2.gz QNAIKJPSWMQNRY-IAZYJMLFSA-N 1 1 320.353 -1.300 20 0 DAADMO COc1nccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)n1 ZINC001113850237 776432704 /nfs/dbraw/zinc/43/27/04/776432704.db2.gz QNAIKJPSWMQNRY-IAZYJMLFSA-N 1 1 320.353 -1.300 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001113850249 776432732 /nfs/dbraw/zinc/43/27/32/776432732.db2.gz QWOGJPGRTBHQGL-PUHVVEEASA-N 1 1 323.397 -1.383 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cncn1 ZINC001113878731 776433341 /nfs/dbraw/zinc/43/33/41/776433341.db2.gz QSCGLKKQKKJIHL-SRRSOLGSSA-N 1 1 306.370 -1.022 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]21 ZINC001113850653 776433560 /nfs/dbraw/zinc/43/35/60/776433560.db2.gz WDDHUHXLZBXBOK-VROVMSAKSA-N 1 1 306.313 -1.017 20 0 DAADMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1C ZINC001113850659 776433625 /nfs/dbraw/zinc/43/36/25/776433625.db2.gz WNHQWRHIOJWYRN-PJXYFTJBSA-N 1 1 306.370 -1.057 20 0 DAADMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CNC(N)=O)nn1C ZINC001113850659 776433631 /nfs/dbraw/zinc/43/36/31/776433631.db2.gz WNHQWRHIOJWYRN-PJXYFTJBSA-N 1 1 306.370 -1.057 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cnn1C ZINC001113857074 776433686 /nfs/dbraw/zinc/43/36/86/776433686.db2.gz IMKLJJPCIDJJFS-IAZYJMLFSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cnn1C ZINC001113857074 776433693 /nfs/dbraw/zinc/43/36/93/776433693.db2.gz IMKLJJPCIDJJFS-IAZYJMLFSA-N 1 1 320.353 -1.417 20 0 DAADMO CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113885868 776434496 /nfs/dbraw/zinc/43/44/96/776434496.db2.gz NXBVQXPLAIZWQN-GDGBQDQQSA-N 1 1 320.353 -1.085 20 0 DAADMO CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC001113885868 776434499 /nfs/dbraw/zinc/43/44/99/776434499.db2.gz NXBVQXPLAIZWQN-GDGBQDQQSA-N 1 1 320.353 -1.085 20 0 DAADMO O=C(NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001113885752 776434858 /nfs/dbraw/zinc/43/48/58/776434858.db2.gz MDSNTEXWMUARDM-RFQIPJPRSA-N 1 1 323.393 -1.026 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113900051 776435429 /nfs/dbraw/zinc/43/54/29/776435429.db2.gz ZLMZMBNLKNKIOU-DEKYYXRVSA-N 1 1 322.365 -1.684 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001113899062 776436021 /nfs/dbraw/zinc/43/60/21/776436021.db2.gz GZIZFGFAMKWWLM-IMRBUKKESA-N 1 1 306.370 -1.160 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001113899062 776436027 /nfs/dbraw/zinc/43/60/27/776436027.db2.gz GZIZFGFAMKWWLM-IMRBUKKESA-N 1 1 306.370 -1.160 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113924950 776436520 /nfs/dbraw/zinc/43/65/20/776436520.db2.gz KYPSXBPFBPUHIS-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113924950 776436524 /nfs/dbraw/zinc/43/65/24/776436524.db2.gz KYPSXBPFBPUHIS-MTBHXBHISA-N 1 1 324.366 -1.346 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113924512 776436993 /nfs/dbraw/zinc/43/69/93/776436993.db2.gz GTFWLWJBLGDJJU-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnsn1 ZINC001113924512 776436998 /nfs/dbraw/zinc/43/69/98/776436998.db2.gz GTFWLWJBLGDJJU-XZMZPDFPSA-N 1 1 324.366 -1.219 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937256 776437761 /nfs/dbraw/zinc/43/77/61/776437761.db2.gz CGWPFAJXRWKBBF-YABSGUDNSA-N 1 1 308.382 -1.353 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)n(C)n1 ZINC001113942251 776437826 /nfs/dbraw/zinc/43/78/26/776437826.db2.gz KRJSICIYQUBDGC-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)n(C)n1 ZINC001113942251 776437832 /nfs/dbraw/zinc/43/78/32/776437832.db2.gz KRJSICIYQUBDGC-GDGBQDQQSA-N 1 1 320.353 -1.417 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937273 776438230 /nfs/dbraw/zinc/43/82/30/776438230.db2.gz CJULVSFTHUUIJP-YABSGUDNSA-N 1 1 308.382 -1.305 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CC1 ZINC001113937273 776438233 /nfs/dbraw/zinc/43/82/33/776438233.db2.gz CJULVSFTHUUIJP-YABSGUDNSA-N 1 1 308.382 -1.305 20 0 DAADMO O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001113939658 776438254 /nfs/dbraw/zinc/43/82/54/776438254.db2.gz DJWJIBCAYLLIDG-IMRBUKKESA-N 1 1 311.382 -1.432 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001113945181 776438743 /nfs/dbraw/zinc/43/87/43/776438743.db2.gz QLASPDUDWKJEMS-IWIIMEHWSA-N 1 1 312.370 -1.087 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001113945181 776438746 /nfs/dbraw/zinc/43/87/46/776438746.db2.gz QLASPDUDWKJEMS-IWIIMEHWSA-N 1 1 312.370 -1.087 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113947688 776438815 /nfs/dbraw/zinc/43/88/15/776438815.db2.gz FDPVKSFYDWTKQB-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113947688 776438820 /nfs/dbraw/zinc/43/88/20/776438820.db2.gz FDPVKSFYDWTKQB-VROVMSAKSA-N 1 1 306.326 -1.427 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113947762 776439166 /nfs/dbraw/zinc/43/91/66/776439166.db2.gz GUCTUUYIDVKKFN-UXCLJVHYSA-N 1 1 312.370 -1.135 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113945657 776439195 /nfs/dbraw/zinc/43/91/95/776439195.db2.gz WAWPENNNMDHAJU-SREGZZRCSA-N 1 1 324.337 -1.806 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001113947761 776439241 /nfs/dbraw/zinc/43/92/41/776439241.db2.gz GUCTUUYIDVKKFN-SVDPJWKOSA-N 1 1 312.370 -1.135 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113948252 776439952 /nfs/dbraw/zinc/43/99/52/776439952.db2.gz OSOCLCJDTQOESS-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)[nH]n1 ZINC001113948252 776439958 /nfs/dbraw/zinc/43/99/58/776439958.db2.gz OSOCLCJDTQOESS-REIXXSIJSA-N 1 1 320.353 -1.038 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113950697 776440298 /nfs/dbraw/zinc/44/02/98/776440298.db2.gz MMCXNBGNGAFQLH-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC001113950697 776440304 /nfs/dbraw/zinc/44/03/04/776440304.db2.gz MMCXNBGNGAFQLH-VROVMSAKSA-N 1 1 307.310 -1.210 20 0 DAADMO CO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113962507 776440893 /nfs/dbraw/zinc/44/08/93/776440893.db2.gz IXTHTSICVVSAID-UXCLJVHYSA-N 1 1 310.354 -1.381 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001113962567 776440985 /nfs/dbraw/zinc/44/09/85/776440985.db2.gz JTKMISPOAGBWHB-WYUUTHIRSA-N 1 1 319.427 -1.041 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001113962505 776441041 /nfs/dbraw/zinc/44/10/41/776441041.db2.gz IXTHTSICVVSAID-SVDPJWKOSA-N 1 1 310.354 -1.381 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113976230 776442049 /nfs/dbraw/zinc/44/20/49/776442049.db2.gz DGDLJLDUBQMKSQ-NNYUYHANSA-N 1 1 317.411 -1.382 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC001113976230 776442053 /nfs/dbraw/zinc/44/20/53/776442053.db2.gz DGDLJLDUBQMKSQ-NNYUYHANSA-N 1 1 317.411 -1.382 20 0 DAADMO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114042136 776442959 /nfs/dbraw/zinc/44/29/59/776442959.db2.gz XAXMAACWUSERMA-DCQANWLSSA-N 1 1 324.381 -1.133 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NC(N)=O)C[C@H]21 ZINC001114042282 776443084 /nfs/dbraw/zinc/44/30/84/776443084.db2.gz ZEPVPQCLHWBJLP-KLBPJQLPSA-N 1 1 309.370 -1.678 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114071626 776445567 /nfs/dbraw/zinc/44/55/67/776445567.db2.gz FIBMODAXOLFATQ-CZXHOFHRSA-N 1 1 311.382 -1.026 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114062044 776445637 /nfs/dbraw/zinc/44/56/37/776445637.db2.gz YJMMYRKSDJGRNJ-BBGACYKPSA-N 1 1 308.382 -1.210 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114060055 776445775 /nfs/dbraw/zinc/44/57/75/776445775.db2.gz FUWXLVBQIQRGIQ-DEKYYXRVSA-N 1 1 308.382 -1.162 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001114085952 776447067 /nfs/dbraw/zinc/44/70/67/776447067.db2.gz OUYCGNXERPNQSV-QRJZZWFUSA-N 1 1 308.338 -1.943 20 0 DAADMO COCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114074449 776447205 /nfs/dbraw/zinc/44/72/05/776447205.db2.gz LROYEUNQAODVIN-IMRBUKKESA-N 1 1 309.370 -1.013 20 0 DAADMO CS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098031 776447889 /nfs/dbraw/zinc/44/78/89/776447889.db2.gz CHBBSHJZKMLLLR-GDGBQDQQSA-N 1 1 303.384 -1.657 20 0 DAADMO CS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098031 776447894 /nfs/dbraw/zinc/44/78/94/776447894.db2.gz CHBBSHJZKMLLLR-GDGBQDQQSA-N 1 1 303.384 -1.657 20 0 DAADMO COc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114099284 776447950 /nfs/dbraw/zinc/44/79/50/776447950.db2.gz UOFRCCHXIQGEOY-MSRIBSCDSA-N 1 1 305.338 -1.093 20 0 DAADMO COc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114099284 776447955 /nfs/dbraw/zinc/44/79/55/776447955.db2.gz UOFRCCHXIQGEOY-MSRIBSCDSA-N 1 1 305.338 -1.093 20 0 DAADMO C[C@@H](NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)C1CC1 ZINC001114099473 776448013 /nfs/dbraw/zinc/44/80/13/776448013.db2.gz XTCZATJGAULZNK-APKCBFJXSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@@H](NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)C1CC1 ZINC001114099473 776448017 /nfs/dbraw/zinc/44/80/17/776448017.db2.gz XTCZATJGAULZNK-APKCBFJXSA-N 1 1 308.382 -1.177 20 0 DAADMO C[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)CS(C)(=O)=O ZINC001114098884 776448039 /nfs/dbraw/zinc/44/80/39/776448039.db2.gz MVHXMKUTUVZKSI-DNJQJEMRSA-N 1 1 317.411 -1.411 20 0 DAADMO C[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)CS(C)(=O)=O ZINC001114098884 776448044 /nfs/dbraw/zinc/44/80/44/776448044.db2.gz MVHXMKUTUVZKSI-DNJQJEMRSA-N 1 1 317.411 -1.411 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001114099417 776448064 /nfs/dbraw/zinc/44/80/64/776448064.db2.gz WQQBHPOKICYSLX-KIGUWFBYSA-N 1 1 324.381 -2.109 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001114098841 776448083 /nfs/dbraw/zinc/44/80/83/776448083.db2.gz MBWLQHIRHURBPN-LFNDISMMSA-N 1 1 304.354 -1.313 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)CCO1 ZINC001114099353 776448098 /nfs/dbraw/zinc/44/80/98/776448098.db2.gz VYQNKICMRKSMFG-KIGUWFBYSA-N 1 1 324.381 -1.845 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)CCO1 ZINC001114099353 776448104 /nfs/dbraw/zinc/44/81/04/776448104.db2.gz VYQNKICMRKSMFG-KIGUWFBYSA-N 1 1 324.381 -1.845 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098528 776448184 /nfs/dbraw/zinc/44/81/84/776448184.db2.gz HRGLYXVBBJIQNX-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098528 776448190 /nfs/dbraw/zinc/44/81/90/776448190.db2.gz HRGLYXVBBJIQNX-VROVMSAKSA-N 1 1 304.372 -2.543 20 0 DAADMO CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)C1=O ZINC001114098288 776448322 /nfs/dbraw/zinc/44/83/22/776448322.db2.gz GBOHPVZRYNZKIO-BBGACYKPSA-N 1 1 308.382 -1.083 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001114093616 776448943 /nfs/dbraw/zinc/44/89/43/776448943.db2.gz RZRZDYHEQKDNKT-KIGUWFBYSA-N 1 1 324.381 -1.797 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001114093616 776448949 /nfs/dbraw/zinc/44/89/49/776448949.db2.gz RZRZDYHEQKDNKT-KIGUWFBYSA-N 1 1 324.381 -1.797 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100817 776449062 /nfs/dbraw/zinc/44/90/62/776449062.db2.gz DYPFCSKDOKKFIC-UUIJZJDISA-N 1 1 313.398 -1.058 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100994 776449136 /nfs/dbraw/zinc/44/91/36/776449136.db2.gz HPTDADVRJWWCNE-LITAXDCLSA-N 1 1 311.342 -2.248 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114100994 776449140 /nfs/dbraw/zinc/44/91/40/776449140.db2.gz HPTDADVRJWWCNE-LITAXDCLSA-N 1 1 311.342 -2.248 20 0 DAADMO CCN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)C1CC1 ZINC001114101635 776449237 /nfs/dbraw/zinc/44/92/37/776449237.db2.gz SOCRDDUKROSICZ-HBYGRHMLSA-N 1 1 308.382 -1.081 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001114093883 776449423 /nfs/dbraw/zinc/44/94/23/776449423.db2.gz WTABCNQWBWNOSE-HBYGRHMLSA-N 1 1 320.349 -1.182 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001114093883 776449432 /nfs/dbraw/zinc/44/94/32/776449432.db2.gz WTABCNQWBWNOSE-HBYGRHMLSA-N 1 1 320.349 -1.182 20 0 DAADMO CCN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114093804 776449593 /nfs/dbraw/zinc/44/95/93/776449593.db2.gz VTSGORFUNYRJDH-SFDCQRBFSA-N 1 1 324.425 -1.158 20 0 DAADMO Cc1nc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)n1 ZINC001114095199 776450426 /nfs/dbraw/zinc/45/04/26/776450426.db2.gz DLCQTCUUKLIKJQ-YABSGUDNSA-N 1 1 306.370 -1.183 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114094226 776450506 /nfs/dbraw/zinc/45/05/06/776450506.db2.gz ZBJXZZTWEJOFLX-BXSSEVMYSA-N 1 1 321.337 -1.153 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC001114094226 776450508 /nfs/dbraw/zinc/45/05/08/776450508.db2.gz ZBJXZZTWEJOFLX-BXSSEVMYSA-N 1 1 321.337 -1.153 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114120599 776450645 /nfs/dbraw/zinc/45/06/45/776450645.db2.gz UURAUNDWGXBOAB-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114120599 776450651 /nfs/dbraw/zinc/45/06/51/776450651.db2.gz UURAUNDWGXBOAB-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO O=C(CCc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114120599 776450653 /nfs/dbraw/zinc/45/06/53/776450653.db2.gz UURAUNDWGXBOAB-COMAGPEQSA-N 1 1 304.354 -1.328 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC001114120748 776450867 /nfs/dbraw/zinc/45/08/67/776450867.db2.gz WUQDZOCUWSUIOC-DNJQJEMRSA-N 1 1 306.370 -1.082 20 0 DAADMO CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114147398 776451578 /nfs/dbraw/zinc/45/15/78/776451578.db2.gz XVPBRSWRBVQJEH-RQJABVFESA-N 1 1 313.398 -1.628 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001114137320 776451774 /nfs/dbraw/zinc/45/17/74/776451774.db2.gz WCXLXVBNFXEJID-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)c1 ZINC001114137320 776451775 /nfs/dbraw/zinc/45/17/75/776451775.db2.gz WCXLXVBNFXEJID-VROVMSAKSA-N 1 1 306.326 -1.725 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114139753 776451846 /nfs/dbraw/zinc/45/18/46/776451846.db2.gz USGVKQSZMMKBDN-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC001114139753 776451847 /nfs/dbraw/zinc/45/18/47/776451847.db2.gz USGVKQSZMMKBDN-WYOJIJJFSA-N 1 1 320.353 -1.337 20 0 DAADMO O=C(CN1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114146982 776451855 /nfs/dbraw/zinc/45/18/55/776451855.db2.gz NLWXVLPMUWOXLX-NHAGDIPZSA-N 1 1 313.398 -1.626 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090475690 776451934 /nfs/dbraw/zinc/45/19/34/776451934.db2.gz JZHIFCSECJPWMV-NWDGAFQWSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090475690 776451935 /nfs/dbraw/zinc/45/19/35/776451935.db2.gz JZHIFCSECJPWMV-NWDGAFQWSA-N 1 1 309.370 -1.029 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114161243 776453903 /nfs/dbraw/zinc/45/39/03/776453903.db2.gz DAAIYZDPQHQYRS-SNXWAXQRSA-N 1 1 318.337 -1.280 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC001114161243 776453908 /nfs/dbraw/zinc/45/39/08/776453908.db2.gz DAAIYZDPQHQYRS-SNXWAXQRSA-N 1 1 318.337 -1.280 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)on1 ZINC001114154930 776454101 /nfs/dbraw/zinc/45/41/01/776454101.db2.gz CWIPTYOQNUPCTA-IIDWOEFGSA-N 1 1 323.309 -1.462 20 0 DAADMO COc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)on1 ZINC001114154930 776454106 /nfs/dbraw/zinc/45/41/06/776454106.db2.gz CWIPTYOQNUPCTA-IIDWOEFGSA-N 1 1 323.309 -1.462 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1N ZINC001114157956 776455284 /nfs/dbraw/zinc/45/52/84/776455284.db2.gz NRGVWCAXFKFARL-OHBODLIOSA-N 1 1 309.370 -1.330 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001110101251 776455415 /nfs/dbraw/zinc/45/54/15/776455415.db2.gz GRFXFLDEIFIEBN-USZNOCQGSA-N 1 1 323.397 -1.146 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114169068 776455637 /nfs/dbraw/zinc/45/56/37/776455637.db2.gz AGAIVHMHUFWBTH-YABSGUDNSA-N 1 1 306.370 -1.112 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114169068 776455644 /nfs/dbraw/zinc/45/56/44/776455644.db2.gz AGAIVHMHUFWBTH-YABSGUDNSA-N 1 1 306.370 -1.112 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114175977 776456289 /nfs/dbraw/zinc/45/62/89/776456289.db2.gz NUWOBCPEWVOOKZ-UXCLJVHYSA-N 1 1 309.370 -1.678 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001114175247 776456640 /nfs/dbraw/zinc/45/66/40/776456640.db2.gz AVCTWOPYIBAJLG-MVVXRAEJSA-N 1 1 323.397 -1.290 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114177784 776457443 /nfs/dbraw/zinc/45/74/43/776457443.db2.gz CXOJNKHSFMEULM-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114177784 776457444 /nfs/dbraw/zinc/45/74/44/776457444.db2.gz CXOJNKHSFMEULM-GDGBQDQQSA-N 1 1 318.399 -2.282 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cnn1 ZINC001114176543 776457567 /nfs/dbraw/zinc/45/75/67/776457567.db2.gz VIQUGSMZCIGMJC-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cnn1 ZINC001114176543 776457572 /nfs/dbraw/zinc/45/75/72/776457572.db2.gz VIQUGSMZCIGMJC-IAZYJMLFSA-N 1 1 318.337 -1.360 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001114178501 776457645 /nfs/dbraw/zinc/45/76/45/776457645.db2.gz OOBBECBUQVWIFA-GJTWSCIVSA-N 1 1 308.382 -1.164 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114172357 776458422 /nfs/dbraw/zinc/45/84/22/776458422.db2.gz SWFGHPDSYNVKEW-PUXPGTEJSA-N 1 1 322.365 -1.636 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114180042 776458529 /nfs/dbraw/zinc/45/85/29/776458529.db2.gz CNJWAIRIOTYRKQ-IWIIMEHWSA-N 1 1 309.370 -1.806 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114172185 776458695 /nfs/dbraw/zinc/45/86/95/776458695.db2.gz PZGCONRJQXLFRH-JYAVWHMHSA-N 1 1 313.398 -1.042 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114181224 776459533 /nfs/dbraw/zinc/45/95/33/776459533.db2.gz ZFAGZKRDDFLBCF-JDICNCQASA-N 1 1 311.342 -2.376 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114181224 776459536 /nfs/dbraw/zinc/45/95/36/776459536.db2.gz ZFAGZKRDDFLBCF-JDICNCQASA-N 1 1 311.342 -2.376 20 0 DAADMO CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCn2ccnn2)C1=O ZINC001114182904 776459701 /nfs/dbraw/zinc/45/97/01/776459701.db2.gz VVIGNYGHVDWSQC-KZVDOYCCSA-N 1 1 318.381 -1.055 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114182501 776459829 /nfs/dbraw/zinc/45/98/29/776459829.db2.gz NBNSMNOCTHRBQM-UKKRHICBSA-N 1 1 307.358 -1.619 20 0 DAADMO O=C(CCn1ccnn1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114186004 776460319 /nfs/dbraw/zinc/46/03/19/776460319.db2.gz DHOBSDBTLWFWMO-KZVDOYCCSA-N 1 1 318.381 -1.007 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114201159 776460902 /nfs/dbraw/zinc/46/09/02/776460902.db2.gz KOVOEEAZCQVOJT-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnnn1C ZINC001114201159 776460910 /nfs/dbraw/zinc/46/09/10/776460910.db2.gz KOVOEEAZCQVOJT-VROVMSAKSA-N 1 1 321.341 -2.069 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnn1 ZINC001114187430 776460944 /nfs/dbraw/zinc/46/09/44/776460944.db2.gz VOYNLNYBOCUNGY-CIQGVGRVSA-N 1 1 309.370 -1.278 20 0 DAADMO CCn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)n1 ZINC001114217046 776461642 /nfs/dbraw/zinc/46/16/42/776461642.db2.gz ILUANEWNGFDEDR-DCQANWLSSA-N 1 1 309.370 -1.035 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204638 776462062 /nfs/dbraw/zinc/46/20/62/776462062.db2.gz XBWSDYLTCZAPCB-KLBPJQLPSA-N 1 1 310.354 -1.334 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1 ZINC001114204638 776462070 /nfs/dbraw/zinc/46/20/70/776462070.db2.gz XBWSDYLTCZAPCB-KLBPJQLPSA-N 1 1 310.354 -1.334 20 0 DAADMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)NCC1CC1 ZINC001114204595 776462414 /nfs/dbraw/zinc/46/24/14/776462414.db2.gz WIHGAFWVUJFGKS-XZUYRWCXSA-N 1 1 322.365 -1.333 20 0 DAADMO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COC(=O)N1)NCC1CC1 ZINC001114204595 776462425 /nfs/dbraw/zinc/46/24/25/776462425.db2.gz WIHGAFWVUJFGKS-XZUYRWCXSA-N 1 1 322.365 -1.333 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)C1CC1 ZINC001114209111 776463354 /nfs/dbraw/zinc/46/33/54/776463354.db2.gz KVAIPDKWLFMBCR-YGNMPJRFSA-N 1 1 324.381 -1.087 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OC)C1CC1 ZINC001114209111 776463360 /nfs/dbraw/zinc/46/33/60/776463360.db2.gz KVAIPDKWLFMBCR-YGNMPJRFSA-N 1 1 324.381 -1.087 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC001114223991 776463516 /nfs/dbraw/zinc/46/35/16/776463516.db2.gz NZWFDLZUQDTTTI-AYHNYZOXSA-N 1 1 302.281 -1.117 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC001114223991 776463522 /nfs/dbraw/zinc/46/35/22/776463522.db2.gz NZWFDLZUQDTTTI-AYHNYZOXSA-N 1 1 302.281 -1.117 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 ZINC001114218016 776463681 /nfs/dbraw/zinc/46/36/81/776463681.db2.gz ZRRAOMAURCAUER-KZWBYHQPSA-N 1 1 310.354 -1.026 20 0 DAADMO CCn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114220852 776463791 /nfs/dbraw/zinc/46/37/91/776463791.db2.gz YMBXFLPXVIZLCR-PJXYFTJBSA-N 1 1 309.370 -1.033 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001114222735 776463826 /nfs/dbraw/zinc/46/38/26/776463826.db2.gz BWUNMFSMAFVVLM-PJXYFTJBSA-N 1 1 321.385 -1.319 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001114222735 776463832 /nfs/dbraw/zinc/46/38/32/776463832.db2.gz BWUNMFSMAFVVLM-PJXYFTJBSA-N 1 1 321.385 -1.319 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114224056 776464562 /nfs/dbraw/zinc/46/45/62/776464562.db2.gz OZTOORWKNZADPM-XZUYRWCXSA-N 1 1 323.397 -1.370 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114224612 776464723 /nfs/dbraw/zinc/46/47/23/776464723.db2.gz ZLSXMAZAXFSSQE-KLBPJQLPSA-N 1 1 309.370 -1.760 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114253726 776465646 /nfs/dbraw/zinc/46/56/46/776465646.db2.gz UBIAMQURPBRXSK-UXCLJVHYSA-N 1 1 324.381 -1.079 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 ZINC001114253726 776465650 /nfs/dbraw/zinc/46/56/50/776465650.db2.gz UBIAMQURPBRXSK-UXCLJVHYSA-N 1 1 324.381 -1.079 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC001114244386 776465838 /nfs/dbraw/zinc/46/58/38/776465838.db2.gz AUVYOICXDGQSGX-MSRIBSCDSA-N 1 1 306.370 -1.162 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc(C)[nH]1 ZINC001114244386 776465840 /nfs/dbraw/zinc/46/58/40/776465840.db2.gz AUVYOICXDGQSGX-MSRIBSCDSA-N 1 1 306.370 -1.162 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237705 776465970 /nfs/dbraw/zinc/46/59/70/776465970.db2.gz QYMHYVHHSAMYRN-HXFLIBJXSA-N 1 1 306.326 -1.347 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237705 776465971 /nfs/dbraw/zinc/46/59/71/776465971.db2.gz QYMHYVHHSAMYRN-HXFLIBJXSA-N 1 1 306.326 -1.347 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237161 776465999 /nfs/dbraw/zinc/46/59/99/776465999.db2.gz HHHCIUGDYXXAGY-MYJAWHEDSA-N 1 1 313.383 -1.381 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC001114237161 776466002 /nfs/dbraw/zinc/46/60/02/776466002.db2.gz HHHCIUGDYXXAGY-MYJAWHEDSA-N 1 1 313.383 -1.381 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)NC(N)=O ZINC001114277693 776467103 /nfs/dbraw/zinc/46/71/03/776467103.db2.gz GYFLGIYGSJLXAE-DCQANWLSSA-N 1 1 321.385 -1.229 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114273455 776467118 /nfs/dbraw/zinc/46/71/18/776467118.db2.gz NAABIYFFBDOTBL-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001114273455 776467122 /nfs/dbraw/zinc/46/71/22/776467122.db2.gz NAABIYFFBDOTBL-REIXXSIJSA-N 1 1 318.399 -2.154 20 0 DAADMO CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114276399 776467169 /nfs/dbraw/zinc/46/71/69/776467169.db2.gz ZADVCAYFVGGFIF-IAZYJMLFSA-N 1 1 320.415 -2.237 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)NC(N)=O ZINC001114277695 776467197 /nfs/dbraw/zinc/46/71/97/776467197.db2.gz GYFLGIYGSJLXAE-MEWQQHAOSA-N 1 1 321.385 -1.229 20 0 DAADMO O=C(CO[C@H]1CCOC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114277322 776467699 /nfs/dbraw/zinc/46/76/99/776467699.db2.gz ABOTWOZTILTAIC-RMRHIDDWSA-N 1 1 314.382 -1.153 20 0 DAADMO O=C(CO[C@@H]1CCOC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114277320 776467752 /nfs/dbraw/zinc/46/77/52/776467752.db2.gz ABOTWOZTILTAIC-CXTNEJHOSA-N 1 1 314.382 -1.153 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)NC(N)=O ZINC001114278763 776467894 /nfs/dbraw/zinc/46/78/94/776467894.db2.gz WUWLJHKFQCFVHN-KZWBYHQPSA-N 1 1 323.397 -1.288 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)NC(N)=O ZINC001114278764 776468162 /nfs/dbraw/zinc/46/81/62/776468162.db2.gz WUWLJHKFQCFVHN-PUHVVEEASA-N 1 1 323.397 -1.288 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CO[C@@H]1CCOC1 ZINC001114277761 776468359 /nfs/dbraw/zinc/46/83/59/776468359.db2.gz HTMBTFGWFLWPHG-FJJYHAOUSA-N 1 1 311.382 -1.074 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ncnn1 ZINC001114288581 776469116 /nfs/dbraw/zinc/46/91/16/776469116.db2.gz ZRXZGLTWPOJFCH-YABSGUDNSA-N 1 1 321.385 -1.414 20 0 DAADMO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 ZINC001114304363 776469197 /nfs/dbraw/zinc/46/91/97/776469197.db2.gz PNSFTEHXNCRTBG-IAZYJMLFSA-N 1 1 322.369 -1.540 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090477359 776470942 /nfs/dbraw/zinc/47/09/42/776470942.db2.gz VKLLZLREEMDVTH-VHSXEESVSA-N 1 1 320.357 -1.121 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2CCOCC2=O)n1C ZINC001129545981 776473011 /nfs/dbraw/zinc/47/30/11/776473011.db2.gz CJLPATPOANNEIH-UHFFFAOYSA-N 1 1 324.385 -1.558 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CN2CCOCC2=O)s1 ZINC001129550142 776473031 /nfs/dbraw/zinc/47/30/31/776473031.db2.gz AUYMMMKGJLWWCY-UHFFFAOYSA-N 1 1 313.383 -1.089 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCOCC1=O)c1nnnn1C ZINC001129568867 776474230 /nfs/dbraw/zinc/47/42/30/776474230.db2.gz DPDISKHWYJVWQK-SECBINFHSA-N 1 1 311.346 -2.164 20 0 DAADMO CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001129594492 776475861 /nfs/dbraw/zinc/47/58/61/776475861.db2.gz MAGZEBSJJRWMBA-MNOVXSKESA-N 1 1 318.341 -1.598 20 0 DAADMO CC(C)n1cc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)nn1 ZINC001129743104 776478385 /nfs/dbraw/zinc/47/83/85/776478385.db2.gz GTBXOILIHNLOSG-JTQLQIEISA-N 1 1 323.357 -1.337 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1nnnn1C ZINC001129743182 776478649 /nfs/dbraw/zinc/47/86/49/776478649.db2.gz JRUQSLOWZFIUMN-BQBZGAKWSA-N 1 1 310.318 -2.425 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC001129743771 776480237 /nfs/dbraw/zinc/48/02/37/776480237.db2.gz VTKJFIJSVWODFR-VIFPVBQESA-N 1 1 309.330 -1.898 20 0 DAADMO CC[C@@]1(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CCNC1=O ZINC001129870502 776484785 /nfs/dbraw/zinc/48/47/85/776484785.db2.gz GCZCSHCOLUZCFS-TVQRCGJNSA-N 1 1 309.374 -1.107 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001129897447 776485773 /nfs/dbraw/zinc/48/57/73/776485773.db2.gz FLYRYUQKOIEKEC-RKDXNWHRSA-N 1 1 308.342 -1.325 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953688 776486557 /nfs/dbraw/zinc/48/65/57/776486557.db2.gz NXBLOBJOIYUAPU-JTQLQIEISA-N 1 1 309.374 -1.014 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@@H]1CCCNC1=O ZINC001129953830 776487198 /nfs/dbraw/zinc/48/71/98/776487198.db2.gz QUBQGNICWPHXFX-SNVBAGLBSA-N 1 1 312.349 -1.020 20 0 DAADMO COCCCS(=O)(=O)NCC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170468297 776487906 /nfs/dbraw/zinc/48/79/06/776487906.db2.gz CJYWOUVLBOJPPI-AOOOYVTPSA-N 1 1 319.383 -1.853 20 0 DAADMO C[NH+](C)CCCC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129985398 776488191 /nfs/dbraw/zinc/48/81/91/776488191.db2.gz VVYVTDAEIIPEED-NEPJUHHUSA-N 1 1 323.401 -1.553 20 0 DAADMO NC(=O)C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](n2ccnn2)C1 ZINC001129985011 776488389 /nfs/dbraw/zinc/48/83/89/776488389.db2.gz LZTOTONISKPNRL-ZJUUUORDSA-N 1 1 321.341 -2.617 20 0 DAADMO C[NH+](C)CCC(=O)N1C[C@@H](NCC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129992173 776490035 /nfs/dbraw/zinc/49/00/35/776490035.db2.gz ORJSNWDBYLNPIY-MNOVXSKESA-N 1 1 309.374 -1.943 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@H]1CCCC(=O)N1 ZINC001130035157 776491280 /nfs/dbraw/zinc/49/12/80/776491280.db2.gz JJHYGMWJSUBWMI-SNVBAGLBSA-N 1 1 307.358 -1.118 20 0 DAADMO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC2)[nH]1 ZINC001130177556 776495731 /nfs/dbraw/zinc/49/57/31/776495731.db2.gz HGHVCKKIEYOFJO-UWVGGRQHSA-N 1 1 322.369 -1.222 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@]1(C)CCNC(=O)C1)c1nnnn1C ZINC001130205891 776496915 /nfs/dbraw/zinc/49/69/15/776496915.db2.gz ZVWOJMYMONZPEH-RNCFNFMXSA-N 1 1 309.374 -1.107 20 0 DAADMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130232159 776498666 /nfs/dbraw/zinc/49/86/66/776498666.db2.gz AYUSMOIUVLCLJC-IUCAKERBSA-N 1 1 310.358 -1.223 20 0 DAADMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232159 776498668 /nfs/dbraw/zinc/49/86/68/776498668.db2.gz AYUSMOIUVLCLJC-IUCAKERBSA-N 1 1 310.358 -1.223 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130248465 776499346 /nfs/dbraw/zinc/49/93/46/776499346.db2.gz GDYJXUJTOSDBIF-UHFFFAOYSA-N 1 1 318.341 -1.848 20 0 DAADMO CC(C)(CN1CCOCC1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001130230266 776499540 /nfs/dbraw/zinc/49/95/40/776499540.db2.gz JBQUAUBPYCVUHL-LBPRGKRZSA-N 1 1 312.414 -1.061 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090483574 776501160 /nfs/dbraw/zinc/50/11/60/776501160.db2.gz TYPVLOQSKIHVKV-GHMZBOCLSA-N 1 1 322.369 -1.490 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090483574 776501163 /nfs/dbraw/zinc/50/11/63/776501163.db2.gz TYPVLOQSKIHVKV-GHMZBOCLSA-N 1 1 322.369 -1.490 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157936537 776501275 /nfs/dbraw/zinc/50/12/75/776501275.db2.gz HBRZINRVUAEINF-WXHSDQCUSA-N 1 1 300.403 -2.062 20 0 DAADMO NC(=O)C(=O)NCc1ccncc1O[C@H]1CC[N@@H+](CCO)C1 ZINC001130323874 776502689 /nfs/dbraw/zinc/50/26/89/776502689.db2.gz WQIFREUCKPLUSC-NSHDSACASA-N 1 1 308.338 -1.372 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O)nn1 ZINC001130329919 776502838 /nfs/dbraw/zinc/50/28/38/776502838.db2.gz FLYLVQUAXZFZLD-VIFPVBQESA-N 1 1 303.388 -1.063 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCNCC(F)(F)C1 ZINC001157944676 776503346 /nfs/dbraw/zinc/50/33/46/776503346.db2.gz JXQXMUQZROYNAY-NSHDSACASA-N 1 1 305.373 -1.196 20 0 DAADMO O=C(Cn1cnnn1)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130341169 776504775 /nfs/dbraw/zinc/50/47/75/776504775.db2.gz PWEORXCBTIBRAL-JTQLQIEISA-N 1 1 320.357 -1.506 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(N)=O)C1 ZINC001130342508 776504804 /nfs/dbraw/zinc/50/48/04/776504804.db2.gz LEWNECZGZWMIGD-VHSXEESVSA-N 1 1 324.385 -1.136 20 0 DAADMO CNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130381339 776504867 /nfs/dbraw/zinc/50/48/67/776504867.db2.gz WHCDHZACODAXRD-SNVBAGLBSA-N 1 1 309.370 -1.056 20 0 DAADMO NC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130376918 776505114 /nfs/dbraw/zinc/50/51/14/776505114.db2.gz PVKHKLJYZKXXNB-QMMMGPOBSA-N 1 1 308.342 -1.824 20 0 DAADMO NC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001130376918 776505123 /nfs/dbraw/zinc/50/51/23/776505123.db2.gz PVKHKLJYZKXXNB-QMMMGPOBSA-N 1 1 308.342 -1.824 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377556 776505176 /nfs/dbraw/zinc/50/51/76/776505176.db2.gz YUPLQEMQKZDPPG-RKDXNWHRSA-N 1 1 322.369 -1.436 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377556 776505182 /nfs/dbraw/zinc/50/51/82/776505182.db2.gz YUPLQEMQKZDPPG-RKDXNWHRSA-N 1 1 322.369 -1.436 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001130338343 776505243 /nfs/dbraw/zinc/50/52/43/776505243.db2.gz XVPWBCZXTBPXMF-JTQLQIEISA-N 1 1 322.369 -1.563 20 0 DAADMO CC(=O)NCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001130338343 776505250 /nfs/dbraw/zinc/50/52/50/776505250.db2.gz XVPWBCZXTBPXMF-JTQLQIEISA-N 1 1 322.369 -1.563 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1)c1nnnn1C ZINC001130364142 776506582 /nfs/dbraw/zinc/50/65/82/776506582.db2.gz LIFGVWQYAGQNHD-VHSXEESVSA-N 1 1 309.374 -1.155 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCN(C)C(=O)C1)c1nnnn1C ZINC001130364140 776507556 /nfs/dbraw/zinc/50/75/56/776507556.db2.gz LIFGVWQYAGQNHD-NXEZZACHSA-N 1 1 309.374 -1.155 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418617 776509251 /nfs/dbraw/zinc/50/92/51/776509251.db2.gz TURITIITXUHEAI-VIFPVBQESA-N 1 1 322.369 -1.611 20 0 DAADMO NC(=O)C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001130417996 776510009 /nfs/dbraw/zinc/51/00/09/776510009.db2.gz NQUBMMQTUYLDEZ-WCBMZHEXSA-N 1 1 320.353 -1.811 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[nH]1 ZINC001130446006 776511291 /nfs/dbraw/zinc/51/12/91/776511291.db2.gz ZKWKOTVFNTZHET-SECBINFHSA-N 1 1 320.357 -1.121 20 0 DAADMO NC(=O)NCCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130449815 776512049 /nfs/dbraw/zinc/51/20/49/776512049.db2.gz GIXXKNURDOEZFQ-SNVBAGLBSA-N 1 1 324.385 -1.134 20 0 DAADMO Cc1nc2c([nH]1)CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001130491743 776512900 /nfs/dbraw/zinc/51/29/00/776512900.db2.gz ZVVWZFGGBDSCEU-VIFPVBQESA-N 1 1 322.369 -1.276 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090485283 776512939 /nfs/dbraw/zinc/51/29/39/776512939.db2.gz GHELFAMDNTUJLE-KGLIPLIRSA-N 1 1 324.425 -1.230 20 0 DAADMO Cc1nc2c([nH]1)CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C2 ZINC001130491742 776513325 /nfs/dbraw/zinc/51/33/25/776513325.db2.gz ZVVWZFGGBDSCEU-SECBINFHSA-N 1 1 322.369 -1.276 20 0 DAADMO COc1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090485300 776513511 /nfs/dbraw/zinc/51/35/11/776513511.db2.gz GKQVPWXLOBNOKU-VXGBXAGGSA-N 1 1 312.370 -1.024 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090485070 776513716 /nfs/dbraw/zinc/51/37/16/776513716.db2.gz FPNRBCOLIIRJEH-ZIAGYGMSSA-N 1 1 324.425 -1.230 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC001090486279 776514430 /nfs/dbraw/zinc/51/44/30/776514430.db2.gz MTTVRNIDOCIJKO-WDEREUQCSA-N 1 1 306.326 -1.718 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001090485839 776514681 /nfs/dbraw/zinc/51/46/81/776514681.db2.gz KSSHEILTTNPPDZ-NXEZZACHSA-N 1 1 312.326 -2.357 20 0 DAADMO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)c1=O ZINC001090485842 776515480 /nfs/dbraw/zinc/51/54/80/776515480.db2.gz KSSHEILTTNPPDZ-VHSXEESVSA-N 1 1 312.326 -2.357 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553938 776516731 /nfs/dbraw/zinc/51/67/31/776516731.db2.gz SNKOCANMKPGBOS-UHFFFAOYSA-N 1 1 309.370 -1.037 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1ccn2nnnc2c1 ZINC001090486925 776517574 /nfs/dbraw/zinc/51/75/74/776517574.db2.gz QHHCGANTTSIFTH-RYUDHWBXSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1ccn2nnnc2c1 ZINC001090486928 776517831 /nfs/dbraw/zinc/51/78/31/776517831.db2.gz QHHCGANTTSIFTH-VXGBXAGGSA-N 1 1 320.353 -1.328 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)Cn2ncn(C)c2=O)nc1 ZINC001130588011 776518948 /nfs/dbraw/zinc/51/89/48/776518948.db2.gz JPPFJYIGEXJWAH-UHFFFAOYSA-N 1 1 305.342 -1.414 20 0 DAADMO CCc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2ncn(C)c2=O)[nH]1 ZINC001130587946 776519004 /nfs/dbraw/zinc/51/90/04/776519004.db2.gz HJXSBJRKQWEOIK-SECBINFHSA-N 1 1 322.373 -1.271 20 0 DAADMO Cn1cnn(CC(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)c1=O ZINC001130588149 776519261 /nfs/dbraw/zinc/51/92/61/776519261.db2.gz OECMDDSSIFNLKS-UHFFFAOYSA-N 1 1 320.357 -1.517 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1nnnn1C ZINC001130588551 776519792 /nfs/dbraw/zinc/51/97/92/776519792.db2.gz WRMTWMGTFLPGDA-MRVPVSSYSA-N 1 1 309.334 -2.428 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591115 776520091 /nfs/dbraw/zinc/52/00/91/776520091.db2.gz SQDUPQQIMFREOD-UHFFFAOYSA-N 1 1 322.373 -1.340 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ncn(C)c1=O)c1nnnn1C ZINC001130588556 776520445 /nfs/dbraw/zinc/52/04/45/776520445.db2.gz WRMTWMGTFLPGDA-QMMMGPOBSA-N 1 1 309.334 -2.428 20 0 DAADMO Cn1cnn(CC(=O)NCC[NH2+]Cc2cc3n(n2)CCC3)c1=O ZINC001130588600 776520768 /nfs/dbraw/zinc/52/07/68/776520768.db2.gz WZGFHEYLSGIQLR-UHFFFAOYSA-N 1 1 319.369 -1.370 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130591215 776521866 /nfs/dbraw/zinc/52/18/66/776521866.db2.gz XKBPRXJDIHXFSQ-UHFFFAOYSA-N 1 1 307.358 -1.296 20 0 DAADMO O=C(CN1CCNC(=O)C1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090489751 776525648 /nfs/dbraw/zinc/52/56/48/776525648.db2.gz OYTRFMHDOULYDL-NWDGAFQWSA-N 1 1 314.386 -2.648 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)[C@@H]1CCC(=O)NC1 ZINC001130702932 776526605 /nfs/dbraw/zinc/52/66/05/776526605.db2.gz YVIDFNHUHXCFLC-SNVBAGLBSA-N 1 1 312.349 -1.020 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705851 776527165 /nfs/dbraw/zinc/52/71/65/776527165.db2.gz NTUYVKPPUDBOEF-JTQLQIEISA-N 1 1 309.374 -1.185 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130699813 776527617 /nfs/dbraw/zinc/52/76/17/776527617.db2.gz RYYSPXPTJHUGCA-JTQLQIEISA-N 1 1 309.374 -1.014 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)N1CCOC[C@H]1C1CC1 ZINC001130745631 776528219 /nfs/dbraw/zinc/52/82/19/776528219.db2.gz FZMIPVSYZNOOGS-LBPRGKRZSA-N 1 1 322.369 -1.239 20 0 DAADMO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)c1cnn[nH]1 ZINC001130748527 776528249 /nfs/dbraw/zinc/52/82/49/776528249.db2.gz FWWDNBVRMIYGCI-UHFFFAOYSA-N 1 1 320.357 -1.484 20 0 DAADMO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)c2cnn[nH]2)C1=O ZINC001130752194 776528342 /nfs/dbraw/zinc/52/83/42/776528342.db2.gz RNUNXGVXQYCBRT-UHFFFAOYSA-N 1 1 309.330 -1.546 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1cnn[nH]1)N1CCOC[C@@H]1C1CC1 ZINC001130745630 776529016 /nfs/dbraw/zinc/52/90/16/776529016.db2.gz FZMIPVSYZNOOGS-GFCCVEGCSA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(NCC[NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cnn[nH]1 ZINC001130745654 776529155 /nfs/dbraw/zinc/52/91/55/776529155.db2.gz HBTGPBZQOSUIPK-UHFFFAOYSA-N 1 1 302.298 -1.340 20 0 DAADMO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)c2cnn[nH]2)CC1 ZINC001130752298 776529199 /nfs/dbraw/zinc/52/91/99/776529199.db2.gz VJEHLEZMBJYIQK-UHFFFAOYSA-N 1 1 323.357 -2.185 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cnn[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC001130751567 776529293 /nfs/dbraw/zinc/52/92/93/776529293.db2.gz FCLAWAHZBZNPDL-UWVGGRQHSA-N 1 1 310.358 -1.192 20 0 DAADMO C[C@@H](NC(=O)C[NH2+]CCNC(=O)c1cnn[nH]1)C(=O)N(C)C ZINC001130752480 776530569 /nfs/dbraw/zinc/53/05/69/776530569.db2.gz YCKOXJWOQMFWMI-MRVPVSSYSA-N 1 1 311.346 -2.283 20 0 DAADMO C[C@H](NC(=O)C[NH2+]CCNC(=O)c1cnn[nH]1)C(=O)N(C)C ZINC001130752481 776530813 /nfs/dbraw/zinc/53/08/13/776530813.db2.gz YCKOXJWOQMFWMI-QMMMGPOBSA-N 1 1 311.346 -2.283 20 0 DAADMO CCOC(=O)c1cnc([S@](C)=O)nc1-n1nnnc1C[NH3+] ZINC001158077814 776531134 /nfs/dbraw/zinc/53/11/34/776531134.db2.gz WZHJMOHUFSADFW-NRFANRHFSA-N 1 1 311.327 -1.175 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CCCNC1=O)c1nnnn1C ZINC001130784399 776531923 /nfs/dbraw/zinc/53/19/23/776531923.db2.gz QSZNJVRXWCABLD-SECBINFHSA-N 1 1 310.362 -1.608 20 0 DAADMO CCOC(=O)C1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CNC1 ZINC001158102513 776532087 /nfs/dbraw/zinc/53/20/87/776532087.db2.gz SYBHPYGFOUBVLI-ZDUSSCGKSA-N 1 1 310.354 -2.170 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1)N1CCC1 ZINC001090495039 776532321 /nfs/dbraw/zinc/53/23/21/776532321.db2.gz ASCRHQAPZXDALD-WHRXGGIHSA-N 1 1 323.393 -1.338 20 0 DAADMO O=C(C[N@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1)N1CCC1 ZINC001090495039 776532327 /nfs/dbraw/zinc/53/23/27/776532327.db2.gz ASCRHQAPZXDALD-WHRXGGIHSA-N 1 1 323.393 -1.338 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001090496301 776540633 /nfs/dbraw/zinc/54/06/33/776540633.db2.gz OHFBDCRVSTZCPO-QWRGUYRKSA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)[C@@H](O)C2)cn1 ZINC001090496301 776540643 /nfs/dbraw/zinc/54/06/43/776540643.db2.gz OHFBDCRVSTZCPO-QWRGUYRKSA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC001090496299 776540955 /nfs/dbraw/zinc/54/09/55/776540955.db2.gz OHFBDCRVSTZCPO-GHMZBOCLSA-N 1 1 320.357 -1.691 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)[C@H](O)C2)cn1 ZINC001090496299 776540966 /nfs/dbraw/zinc/54/09/66/776540966.db2.gz OHFBDCRVSTZCPO-GHMZBOCLSA-N 1 1 320.357 -1.691 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NCC[NH2+][C@@H](C)C(N)=O)cc1=O ZINC001130925677 776544832 /nfs/dbraw/zinc/54/48/32/776544832.db2.gz KFUDAORAEGDOBI-JTQLQIEISA-N 1 1 311.386 -1.046 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)Cn2ccc(=O)[nH]c2=O)on1 ZINC001130938791 776545200 /nfs/dbraw/zinc/54/52/00/776545200.db2.gz UPQVLOQPEJTNJQ-UHFFFAOYSA-N 1 1 323.309 -1.149 20 0 DAADMO CC(C)Cn1[nH]c(CC(=O)NCC[NH2+][C@H](C)C(N)=O)cc1=O ZINC001130925678 776545383 /nfs/dbraw/zinc/54/53/83/776545383.db2.gz KFUDAORAEGDOBI-SNVBAGLBSA-N 1 1 311.386 -1.046 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944248 776547414 /nfs/dbraw/zinc/54/74/14/776547414.db2.gz DJKMJZBNDZGURG-UHFFFAOYSA-N 1 1 321.341 -1.534 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC001130997590 776551455 /nfs/dbraw/zinc/55/14/55/776551455.db2.gz BVQFJJUHDLRPQU-SECBINFHSA-N 1 1 301.372 -1.246 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497676 776554779 /nfs/dbraw/zinc/55/47/79/776554779.db2.gz WTKLWUWWEXGINI-WDEREUQCSA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090497676 776554785 /nfs/dbraw/zinc/55/47/85/776554785.db2.gz WTKLWUWWEXGINI-WDEREUQCSA-N 1 1 321.341 -1.128 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN(C(N)=O)C1)c1nnnn1C ZINC001131025741 776554981 /nfs/dbraw/zinc/55/49/81/776554981.db2.gz ZLDPWYOCTDXIEL-ZJUUUORDSA-N 1 1 324.389 -1.232 20 0 DAADMO Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497668 776556538 /nfs/dbraw/zinc/55/65/38/776556538.db2.gz WTKLWUWWEXGINI-MNOVXSKESA-N 1 1 321.341 -1.128 20 0 DAADMO Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090497668 776556543 /nfs/dbraw/zinc/55/65/43/776556543.db2.gz WTKLWUWWEXGINI-MNOVXSKESA-N 1 1 321.341 -1.128 20 0 DAADMO COCCn1ccc(C(=O)NCC[NH2+]Cc2nnnn2C)n1 ZINC001131153905 776558129 /nfs/dbraw/zinc/55/81/29/776558129.db2.gz ZZMIWGKZXVTPEG-UHFFFAOYSA-N 1 1 308.346 -1.427 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(C)ccc1=O)c1nnnn1C ZINC001131161979 776559507 /nfs/dbraw/zinc/55/95/07/776559507.db2.gz LKSMFCRUARGNEH-VIFPVBQESA-N 1 1 305.342 -1.011 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1ccnc2n[nH]nc21)c1nnnn1C ZINC001131170792 776559891 /nfs/dbraw/zinc/55/98/91/776559891.db2.gz FMPULHJAGPSSSE-ZETCQYMHSA-N 1 1 316.329 -1.043 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C[C@H]2O)n1 ZINC001090499113 776561732 /nfs/dbraw/zinc/56/17/32/776561732.db2.gz GFOOXQMRANAISA-NXEZZACHSA-N 1 1 321.345 -2.333 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001131351219 776565013 /nfs/dbraw/zinc/56/50/13/776565013.db2.gz DJLKAULCPDBQJQ-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001131351219 776565020 /nfs/dbraw/zinc/56/50/20/776565020.db2.gz DJLKAULCPDBQJQ-NSHDSACASA-N 1 1 314.386 -1.846 20 0 DAADMO COCCCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131376838 776566876 /nfs/dbraw/zinc/56/68/76/776566876.db2.gz LTDOBBJLWPYFOZ-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO COCCCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001131376838 776566878 /nfs/dbraw/zinc/56/68/78/776566878.db2.gz LTDOBBJLWPYFOZ-UHFFFAOYSA-N 1 1 314.386 -1.451 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCOC)CC1 ZINC001131351562 776567464 /nfs/dbraw/zinc/56/74/64/776567464.db2.gz RVUJPWLWEYVLKE-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCOC)CC1 ZINC001131351562 776567473 /nfs/dbraw/zinc/56/74/73/776567473.db2.gz RVUJPWLWEYVLKE-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090500300 776569151 /nfs/dbraw/zinc/56/91/51/776569151.db2.gz NHRZYNOSQCZVGN-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090500300 776569156 /nfs/dbraw/zinc/56/91/56/776569156.db2.gz NHRZYNOSQCZVGN-NWDGAFQWSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090500302 776569307 /nfs/dbraw/zinc/56/93/07/776569307.db2.gz NHRZYNOSQCZVGN-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1cnn(C)c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090500302 776569311 /nfs/dbraw/zinc/56/93/11/776569311.db2.gz NHRZYNOSQCZVGN-RYUDHWBXSA-N 1 1 323.397 -1.018 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001131503850 776571964 /nfs/dbraw/zinc/57/19/64/776571964.db2.gz HBJWEHRKOYOZMM-SNVBAGLBSA-N 1 1 319.373 -1.340 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)cn2)n1 ZINC001131536187 776573834 /nfs/dbraw/zinc/57/38/34/776573834.db2.gz GQULQGYIHGCXIP-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C[C@@H]2O)n1 ZINC001090501054 776574873 /nfs/dbraw/zinc/57/48/73/776574873.db2.gz UDCNLYXWRGEXLA-MNOVXSKESA-N 1 1 320.357 -1.728 20 0 DAADMO Cn1nnnc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520219 776575032 /nfs/dbraw/zinc/57/50/32/776575032.db2.gz VAMZBMYRSOLFDM-IQLKVPPVSA-N 1 1 321.385 -1.721 20 0 DAADMO CCn1cc(CC(=O)NCC[NH2+][C@@H](C)c2nnnn2C)nn1 ZINC001131621809 776577163 /nfs/dbraw/zinc/57/71/63/776577163.db2.gz GWVSDIKKQDOPSH-VIFPVBQESA-N 1 1 307.362 -1.169 20 0 DAADMO C[C@H]1CN(C(=O)CNC(N)=O)C[C@@]2(CC[N@@H+](CCCO)C2)O1 ZINC001131634546 776578166 /nfs/dbraw/zinc/57/81/66/776578166.db2.gz YSDMHEZGQXFPKE-FZMZJTMJSA-N 1 1 314.386 -1.271 20 0 DAADMO Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001131630799 776578657 /nfs/dbraw/zinc/57/86/57/776578657.db2.gz RKBWCYOTNNMIJI-NXEZZACHSA-N 1 1 304.358 -1.047 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001131666592 776579826 /nfs/dbraw/zinc/57/98/26/776579826.db2.gz PQAUYZBAGMEKHC-BXUZGUMPSA-N 1 1 314.386 -1.401 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131672623 776580729 /nfs/dbraw/zinc/58/07/29/776580729.db2.gz YDLYZCIYYRWPCC-JTQLQIEISA-N 1 1 318.341 -1.600 20 0 DAADMO CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001131676962 776582141 /nfs/dbraw/zinc/58/21/41/776582141.db2.gz GUASVFSVTCKNNK-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001131676962 776582147 /nfs/dbraw/zinc/58/21/47/776582147.db2.gz GUASVFSVTCKNNK-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2Cc3cncn3C(=O)N2)[nH]1 ZINC001131676463 776582247 /nfs/dbraw/zinc/58/22/47/776582247.db2.gz JPPARPOFOODIGE-JTQLQIEISA-N 1 1 318.341 -1.302 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CNC(=O)C1 ZINC001131684725 776582449 /nfs/dbraw/zinc/58/24/49/776582449.db2.gz LTSSVJUWFVVDRI-CYBMUJFWSA-N 1 1 312.349 -1.020 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131690026 776582501 /nfs/dbraw/zinc/58/25/01/776582501.db2.gz PONPOFHIHYANJY-ZDUSSCGKSA-N 1 1 309.374 -1.185 20 0 DAADMO C[C@@]1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CNC(=O)C1 ZINC001131684921 776582585 /nfs/dbraw/zinc/58/25/85/776582585.db2.gz PIGDRNVEQNZACE-AWEZNQCLSA-N 1 1 322.369 -1.460 20 0 DAADMO CC[C@@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC(=O)N1 ZINC001131681175 776582637 /nfs/dbraw/zinc/58/26/37/776582637.db2.gz WVIQNTJVSXXJOO-NXEZZACHSA-N 1 1 309.374 -1.279 20 0 DAADMO C[C@]1(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)CNC(=O)C1 ZINC001131684922 776582783 /nfs/dbraw/zinc/58/27/83/776582783.db2.gz PIGDRNVEQNZACE-CQSZACIVSA-N 1 1 322.369 -1.460 20 0 DAADMO CC[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC(=O)N1 ZINC001131681176 776582846 /nfs/dbraw/zinc/58/28/46/776582846.db2.gz WVIQNTJVSXXJOO-UWVGGRQHSA-N 1 1 309.374 -1.279 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)nn1 ZINC001131768917 776585788 /nfs/dbraw/zinc/58/57/88/776585788.db2.gz ISGOGEQBSSXCSW-UHFFFAOYSA-N 1 1 322.373 -1.511 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131762449 776586236 /nfs/dbraw/zinc/58/62/36/776586236.db2.gz BEXYYIUUZWARSB-UHFFFAOYSA-N 1 1 308.346 -1.994 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCn2ncn(C)c2=O)[nH]1 ZINC001131768583 776586312 /nfs/dbraw/zinc/58/63/12/776586312.db2.gz BYBWQHAFBKJKPZ-UHFFFAOYSA-N 1 1 308.346 -1.696 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131762513 776586439 /nfs/dbraw/zinc/58/64/39/776586439.db2.gz DCAGYEZOQIMRTP-UHFFFAOYSA-N 1 1 322.373 -1.511 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCn1ncn(C)c1=O)c1nnnn1C ZINC001131769435 776586525 /nfs/dbraw/zinc/58/65/25/776586525.db2.gz QZBLRWWEYJDJBM-VIFPVBQESA-N 1 1 323.361 -2.038 20 0 DAADMO CCC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)S(N)(=O)=O ZINC001131774898 776586696 /nfs/dbraw/zinc/58/66/96/776586696.db2.gz XMAFPQVXYDYZRW-MRVPVSSYSA-N 1 1 319.391 -2.127 20 0 DAADMO Cn1ccnc1C[NH2+]CCNC(=O)CCn1ncn(C)c1=O ZINC001131763446 776588216 /nfs/dbraw/zinc/58/82/16/776588216.db2.gz UJHRDQAEPDVKHP-UHFFFAOYSA-N 1 1 307.358 -1.389 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)C[N@H+]1CCOCCO ZINC001131792652 776588537 /nfs/dbraw/zinc/58/85/37/776588537.db2.gz MCSVLPAABXLURE-WDEREUQCSA-N 1 1 302.375 -1.367 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001131784008 776589732 /nfs/dbraw/zinc/58/97/32/776589732.db2.gz MPXOXMNNRWOMGP-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2cnnn2)CC[C@@H]1C ZINC001131784008 776589741 /nfs/dbraw/zinc/58/97/41/776589741.db2.gz MPXOXMNNRWOMGP-WDEREUQCSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1coc(C(N)=O)c1)c1nnnn1C ZINC001131782699 776591061 /nfs/dbraw/zinc/59/10/61/776591061.db2.gz BMRHSMHJLMCZKW-ZETCQYMHSA-N 1 1 307.314 -1.017 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1nccn1C ZINC001131828687 776592935 /nfs/dbraw/zinc/59/29/35/776592935.db2.gz ZVVAKJOUSPVJPC-UHFFFAOYSA-N 1 1 304.376 -2.320 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001131831500 776594521 /nfs/dbraw/zinc/59/45/21/776594521.db2.gz GEJPBUKKXMXXPR-UHFFFAOYSA-N 1 1 305.364 -2.925 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001131831532 776594744 /nfs/dbraw/zinc/59/47/44/776594744.db2.gz HBLLRSSZIWUZAY-ZETCQYMHSA-N 1 1 320.379 -2.969 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ncnn1C ZINC001131831513 776595059 /nfs/dbraw/zinc/59/50/59/776595059.db2.gz GOJXZVXJJPCGET-UHFFFAOYSA-N 1 1 305.364 -2.925 20 0 DAADMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001131831787 776595083 /nfs/dbraw/zinc/59/50/83/776595083.db2.gz QGZCQWDAMYBMMG-UHFFFAOYSA-N 1 1 305.360 -1.757 20 0 DAADMO CO[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)c1cnn(C)c1 ZINC001131874314 776598097 /nfs/dbraw/zinc/59/80/97/776598097.db2.gz UWVMNVZYCLLLHP-LLVKDONJSA-N 1 1 308.346 -1.463 20 0 DAADMO CO[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)N(C(C)=O)C1 ZINC001131905246 776599121 /nfs/dbraw/zinc/59/91/21/776599121.db2.gz JBNSEUUNAHMLFM-QWHCGFSZSA-N 1 1 324.385 -1.343 20 0 DAADMO CO[C@H]1C[C@H](C(=O)NCC[NH2+]Cc2nncn2C)N(C(C)=O)C1 ZINC001131905454 776599622 /nfs/dbraw/zinc/59/96/22/776599622.db2.gz QMFPJEBLEKFOOB-NWDGAFQWSA-N 1 1 324.385 -1.343 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001131907537 776600015 /nfs/dbraw/zinc/60/00/15/776600015.db2.gz KVHGBKSFPTTZCX-VIFPVBQESA-N 1 1 320.357 -1.043 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503426 776601585 /nfs/dbraw/zinc/60/15/85/776601585.db2.gz JDHBTQXOSYCWDB-MEBFFEOJSA-N 1 1 321.381 -1.278 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)C[N@H+]1CCOCCO ZINC001132042536 776603978 /nfs/dbraw/zinc/60/39/78/776603978.db2.gz VYLXCWBCUXKTFS-NWDGAFQWSA-N 1 1 312.374 -1.349 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132037610 776605035 /nfs/dbraw/zinc/60/50/35/776605035.db2.gz FOCJFRFYHIPKEF-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132037610 776605042 /nfs/dbraw/zinc/60/50/42/776605042.db2.gz FOCJFRFYHIPKEF-ZJUUUORDSA-N 1 1 320.415 -1.620 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132038829 776605265 /nfs/dbraw/zinc/60/52/65/776605265.db2.gz VBQOEMRRGHITFE-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C[N@H+]1CCO ZINC001132077471 776605383 /nfs/dbraw/zinc/60/53/83/776605383.db2.gz HTWRMEHTGAVASZ-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)N(C)C)C1 ZINC001132091044 776605702 /nfs/dbraw/zinc/60/57/02/776605702.db2.gz QLQJTRWUPOWUNM-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)C)C1 ZINC001132091044 776605713 /nfs/dbraw/zinc/60/57/13/776605713.db2.gz QLQJTRWUPOWUNM-QWRGUYRKSA-N 1 1 313.402 -1.027 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCO)C1 ZINC001132131981 776606489 /nfs/dbraw/zinc/60/64/89/776606489.db2.gz MZNASMMTMQYKDH-PWSUYJOCSA-N 1 1 314.386 -1.800 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCO)C1 ZINC001132131980 776606950 /nfs/dbraw/zinc/60/69/50/776606950.db2.gz MZNASMMTMQYKDH-JQWIXIFHSA-N 1 1 314.386 -1.800 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132090565 776606966 /nfs/dbraw/zinc/60/69/66/776606966.db2.gz IXUDHVCSDPDWLW-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132090565 776606968 /nfs/dbraw/zinc/60/69/68/776606968.db2.gz IXUDHVCSDPDWLW-WDEREUQCSA-N 1 1 314.386 -1.407 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(C)C)C1 ZINC001132091045 776606978 /nfs/dbraw/zinc/60/69/78/776606978.db2.gz QLQJTRWUPOWUNM-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)C)C1 ZINC001132091045 776606980 /nfs/dbraw/zinc/60/69/80/776606980.db2.gz QLQJTRWUPOWUNM-WDEREUQCSA-N 1 1 313.402 -1.027 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132090562 776606984 /nfs/dbraw/zinc/60/69/84/776606984.db2.gz IXUDHVCSDPDWLW-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132090562 776606986 /nfs/dbraw/zinc/60/69/86/776606986.db2.gz IXUDHVCSDPDWLW-GHMZBOCLSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCO)C1 ZINC001132131979 776607247 /nfs/dbraw/zinc/60/72/47/776607247.db2.gz MZNASMMTMQYKDH-CMPLNLGQSA-N 1 1 314.386 -1.800 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C[N@@H+]1CC(N)=O ZINC001132165561 776609197 /nfs/dbraw/zinc/60/91/97/776609197.db2.gz XLAGLPQXCCTEPV-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C[N@H+]1CC(N)=O ZINC001132165561 776609207 /nfs/dbraw/zinc/60/92/07/776609207.db2.gz XLAGLPQXCCTEPV-MNOVXSKESA-N 1 1 324.381 -1.020 20 0 DAADMO C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001132141859 776609648 /nfs/dbraw/zinc/60/96/48/776609648.db2.gz VFNTULWUTYDVSM-SECBINFHSA-N 1 1 311.390 -1.033 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCF)C1 ZINC001132200025 776610653 /nfs/dbraw/zinc/61/06/53/776610653.db2.gz NUWUALZXUVVSNP-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCF)C1 ZINC001132200025 776610660 /nfs/dbraw/zinc/61/06/60/776610660.db2.gz NUWUALZXUVVSNP-NXEZZACHSA-N 1 1 310.395 -1.021 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCOC)C1 ZINC001132200841 776611036 /nfs/dbraw/zinc/61/10/36/776611036.db2.gz UQGZZFPCNTVNAA-GHMZBOCLSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CCOCCO ZINC001132225509 776611296 /nfs/dbraw/zinc/61/12/96/776611296.db2.gz XXXQODMJRBHGEV-MNOVXSKESA-N 1 1 312.374 -1.198 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@@H+]1CC(N)=O ZINC001132199551 776611939 /nfs/dbraw/zinc/61/19/39/776611939.db2.gz JIAIXTDXQDVJPJ-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C[N@H+]1CC(N)=O ZINC001132199551 776611943 /nfs/dbraw/zinc/61/19/43/776611943.db2.gz JIAIXTDXQDVJPJ-GHMZBOCLSA-N 1 1 324.385 -1.574 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCOC)C1 ZINC001132200844 776612058 /nfs/dbraw/zinc/61/20/58/776612058.db2.gz UQGZZFPCNTVNAA-QWRGUYRKSA-N 1 1 322.431 -1.344 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C[N@@H+]1CC(N)=O ZINC001132252192 776612763 /nfs/dbraw/zinc/61/27/63/776612763.db2.gz BTMRZISBEPANJH-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C[N@H+]1CC(N)=O ZINC001132252192 776612771 /nfs/dbraw/zinc/61/27/71/776612771.db2.gz BTMRZISBEPANJH-VHSXEESVSA-N 1 1 320.415 -1.491 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C)c1nnnn1C ZINC001132257587 776614936 /nfs/dbraw/zinc/61/49/36/776614936.db2.gz MKXFZERQEILKBV-NXEZZACHSA-N 1 1 309.374 -1.012 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317341 776617127 /nfs/dbraw/zinc/61/71/27/776617127.db2.gz CTNRJNRWQQOMMW-UHFFFAOYSA-N 1 1 323.401 -1.756 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2CCNC(=O)C2)nc1 ZINC001132317810 776617270 /nfs/dbraw/zinc/61/72/70/776617270.db2.gz NIASESOVTTYPFK-UHFFFAOYSA-N 1 1 306.370 -1.577 20 0 DAADMO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001132337063 776619036 /nfs/dbraw/zinc/61/90/36/776619036.db2.gz FVRPIGIQLVOYTI-ZJUUUORDSA-N 1 1 307.358 -1.275 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CN1CCNC(=O)C1)c1ncccn1 ZINC001132320764 776619632 /nfs/dbraw/zinc/61/96/32/776619632.db2.gz SBJGQRBLBQSHJD-NSHDSACASA-N 1 1 306.370 -1.325 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCNC(=O)C2)[nH]1 ZINC001132320861 776620207 /nfs/dbraw/zinc/62/02/07/776620207.db2.gz XHSZBEWMMVUIPX-JTQLQIEISA-N 1 1 323.401 -1.434 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132363890 776622068 /nfs/dbraw/zinc/62/20/68/776622068.db2.gz ZWZWDZWPHYOAEM-UWVGGRQHSA-N 1 1 309.374 -1.200 20 0 DAADMO CN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100185687 776623170 /nfs/dbraw/zinc/62/31/70/776623170.db2.gz KQUCPNHYIWSVFY-VQXHTEKXSA-N 1 1 311.386 -1.240 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@H]1CCNC1=O ZINC001132359932 776623333 /nfs/dbraw/zinc/62/33/33/776623333.db2.gz UTMFKTDPXGEALD-QMMMGPOBSA-N 1 1 316.312 -1.115 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCC2)[C@@H]1CCNC1=O ZINC001132359875 776623423 /nfs/dbraw/zinc/62/34/23/776623423.db2.gz TVJQGOGLINRCMC-SNVBAGLBSA-N 1 1 306.370 -1.044 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132355711 776623761 /nfs/dbraw/zinc/62/37/61/776623761.db2.gz IPRPKORRTPWKFC-SECBINFHSA-N 1 1 309.374 -1.230 20 0 DAADMO CN1C[C@@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)[nH]2)NC1=O ZINC001132387417 776625324 /nfs/dbraw/zinc/62/53/24/776625324.db2.gz SCTVGQLFGDJBIZ-VIFPVBQESA-N 1 1 307.358 -1.089 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)CC[C@H]1C ZINC001132380267 776627003 /nfs/dbraw/zinc/62/70/03/776627003.db2.gz HWZLUAKBWOMVQV-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)CC[C@H]1C ZINC001132380267 776627007 /nfs/dbraw/zinc/62/70/07/776627007.db2.gz HWZLUAKBWOMVQV-MNOVXSKESA-N 1 1 309.374 -1.222 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382091 776627173 /nfs/dbraw/zinc/62/71/73/776627173.db2.gz CLAPAEZTWQMSLI-SECBINFHSA-N 1 1 310.362 -1.517 20 0 DAADMO CN1C[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCCC3)NC1=O ZINC001132383149 776628400 /nfs/dbraw/zinc/62/84/00/776628400.db2.gz YZUVMVOYKOMOMS-SNVBAGLBSA-N 1 1 321.385 -1.156 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382947 776628704 /nfs/dbraw/zinc/62/87/04/776628704.db2.gz UWRMJRFTRLJWOJ-JTQLQIEISA-N 1 1 309.374 -1.164 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)c2nnn(C)n2)n1C1CC1 ZINC001132523474 776631340 /nfs/dbraw/zinc/63/13/40/776631340.db2.gz KXNXGJBHYFWHHE-UHFFFAOYSA-N 1 1 305.346 -1.035 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1nnn(C)n1)c1nnnn1C1CC1 ZINC001132526792 776631381 /nfs/dbraw/zinc/63/13/81/776631381.db2.gz CZARYSVYHQMSCH-SSDOTTSWSA-N 1 1 306.334 -1.388 20 0 DAADMO C[C@@H]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)C[N@H+]1CCO ZINC001132512225 776631937 /nfs/dbraw/zinc/63/19/37/776631937.db2.gz ANEMDAPKDZOQAE-VXGBXAGGSA-N 1 1 324.385 -1.644 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nnn(C)n1)c1nnnn1C1CC1 ZINC001132526793 776632052 /nfs/dbraw/zinc/63/20/52/776632052.db2.gz CZARYSVYHQMSCH-ZETCQYMHSA-N 1 1 306.334 -1.388 20 0 DAADMO C[C@H]1CC[C@@H](NC(=O)CNC(=O)Cn2cncn2)C[N@H+]1CCO ZINC001132512223 776632211 /nfs/dbraw/zinc/63/22/11/776632211.db2.gz ANEMDAPKDZOQAE-NWDGAFQWSA-N 1 1 324.385 -1.644 20 0 DAADMO Cn1nnc(C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F)n1 ZINC001132523375 776632558 /nfs/dbraw/zinc/63/25/58/776632558.db2.gz GPDYCFTWTFYROJ-UHFFFAOYSA-N 1 1 323.279 -1.402 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605348 776635136 /nfs/dbraw/zinc/63/51/36/776635136.db2.gz MDQWUTSWYMEIAC-IWIIMEHWSA-N 1 1 307.354 -1.094 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132623826 776635724 /nfs/dbraw/zinc/63/57/24/776635724.db2.gz GQBHEIPWYTURKX-JTQLQIEISA-N 1 1 309.374 -1.233 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132600709 776635795 /nfs/dbraw/zinc/63/57/95/776635795.db2.gz YVKJOXOYIVOJAL-ZYHUDNBSSA-N 1 1 323.401 -1.080 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001132773695 776641369 /nfs/dbraw/zinc/64/13/69/776641369.db2.gz OULDHRTWRBXLSN-GHMZBOCLSA-N 1 1 323.401 -1.080 20 0 DAADMO CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132858609 776642175 /nfs/dbraw/zinc/64/21/75/776642175.db2.gz BMEZAUHFIXYZQA-LBPRGKRZSA-N 1 1 300.403 -1.063 20 0 DAADMO CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132849051 776642788 /nfs/dbraw/zinc/64/27/88/776642788.db2.gz ZYDSYAXGLWCDCZ-VXGBXAGGSA-N 1 1 300.403 -1.064 20 0 DAADMO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001132848276 776643116 /nfs/dbraw/zinc/64/31/16/776643116.db2.gz CRRSSFFJDUAQOI-SNVBAGLBSA-N 1 1 315.374 -2.004 20 0 DAADMO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848844 776643557 /nfs/dbraw/zinc/64/35/57/776643557.db2.gz TZGMJWQMDHWAGJ-QWHCGFSZSA-N 1 1 303.403 -1.191 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132923401 776646906 /nfs/dbraw/zinc/64/69/06/776646906.db2.gz JVCMDBMRNHCUSL-UHFFFAOYSA-N 1 1 317.313 -1.293 20 0 DAADMO CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001133000910 776647933 /nfs/dbraw/zinc/64/79/33/776647933.db2.gz NPJJPNOHHDKETB-VIFPVBQESA-N 1 1 315.399 -1.025 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132953436 776648586 /nfs/dbraw/zinc/64/85/86/776648586.db2.gz CJOACIRSPSMMAT-UHFFFAOYSA-N 1 1 316.329 -1.594 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CCF)c1c[nH]c(=O)cn1 ZINC001133015651 776651102 /nfs/dbraw/zinc/65/11/02/776651102.db2.gz BUZQJIYUYISMTD-UHFFFAOYSA-N 1 1 309.305 -1.150 20 0 DAADMO CC(C)(C)n1ncnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111464 776652224 /nfs/dbraw/zinc/65/22/24/776652224.db2.gz CQVHCRYWVYJQEM-VIFPVBQESA-N 1 1 309.374 -1.080 20 0 DAADMO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001133112276 776652338 /nfs/dbraw/zinc/65/23/38/776652338.db2.gz YOUMZUAPBHWOSN-QMMMGPOBSA-N 1 1 309.374 -1.011 20 0 DAADMO Cn1c(Cl)cnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111439 776652476 /nfs/dbraw/zinc/65/24/76/776652476.db2.gz BSJRBKWXEVQQJO-ZETCQYMHSA-N 1 1 300.750 -1.039 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCCCC2)[C@@H]1CNC(=O)N1 ZINC001133116174 776653692 /nfs/dbraw/zinc/65/36/92/776653692.db2.gz XEMSHNCZKXZHRI-JTQLQIEISA-N 1 1 321.385 -1.108 20 0 DAADMO CCCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115985 776654218 /nfs/dbraw/zinc/65/42/18/776654218.db2.gz VBJFVCHONMOVEG-VIFPVBQESA-N 1 1 310.362 -1.640 20 0 DAADMO NC(=O)[C@@H]([NH2+]CCNC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1 ZINC001133116299 776654292 /nfs/dbraw/zinc/65/42/92/776654292.db2.gz ZAAWRMFKLQUKSN-QWRGUYRKSA-N 1 1 323.328 -1.261 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCCS(N)(=O)=O)c1nncn1C ZINC001133151919 776657551 /nfs/dbraw/zinc/65/75/51/776657551.db2.gz LWJRVJKPWTVDLE-VIFPVBQESA-N 1 1 318.403 -1.349 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148077 776657566 /nfs/dbraw/zinc/65/75/66/776657566.db2.gz DKYXJDIJECBEFS-UHFFFAOYSA-N 1 1 304.376 -1.910 20 0 DAADMO O=C(NCC[NH2+]Cc1ncnn1CC(F)F)[C@H]1CNC(=O)N1 ZINC001133128725 776658029 /nfs/dbraw/zinc/65/80/29/776658029.db2.gz MLCWEMZRSGTMKH-SSDOTTSWSA-N 1 1 317.300 -1.570 20 0 DAADMO NC(=O)C(=O)NCC[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC001133208452 776663260 /nfs/dbraw/zinc/66/32/60/776663260.db2.gz IHGJFNIQEKWFSC-UHFFFAOYSA-N 1 1 319.321 -1.837 20 0 DAADMO CNC(=O)C[NH2+]CCNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC001133252297 776663782 /nfs/dbraw/zinc/66/37/82/776663782.db2.gz RQSRBBJIXZCIRS-NSHDSACASA-N 1 1 310.358 -2.091 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133254479 776664052 /nfs/dbraw/zinc/66/40/52/776664052.db2.gz BYXUQMUEQBDCOK-RYUDHWBXSA-N 1 1 322.369 -1.949 20 0 DAADMO COCCCNC(=O)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133335537 776665017 /nfs/dbraw/zinc/66/50/17/776665017.db2.gz ZOJVTZGMQIFWJH-UHFFFAOYSA-N 1 1 313.358 -1.402 20 0 DAADMO CN1CC(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)=NC1=O ZINC001133347475 776665032 /nfs/dbraw/zinc/66/50/32/776665032.db2.gz CZPXDROMXLLFDB-UHFFFAOYSA-N 1 1 324.341 -1.613 20 0 DAADMO Cn1cc(C(=O)NCC[NH2+]Cc2nnnn2C2CC2)[nH]c1=O ZINC001133335401 776665391 /nfs/dbraw/zinc/66/53/91/776665391.db2.gz SOVXDHSMCULEID-UHFFFAOYSA-N 1 1 306.330 -1.033 20 0 DAADMO CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1=NC(=O)N(C)C1 ZINC001133335377 776665735 /nfs/dbraw/zinc/66/57/35/776665735.db2.gz RQBGSZXHSLWXHS-UHFFFAOYSA-N 1 1 312.330 -1.709 20 0 DAADMO O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1[nH]ncc1F ZINC001133471452 776667928 /nfs/dbraw/zinc/66/79/28/776667928.db2.gz YFKFTZKEMBUZHM-UHFFFAOYSA-N 1 1 312.305 -1.190 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133474194 776667947 /nfs/dbraw/zinc/66/79/47/776667947.db2.gz ZZJLFRRDBMKRBP-ZDUSSCGKSA-N 1 1 309.374 -1.042 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]Cc1nnn(C)n1 ZINC001133616796 776671247 /nfs/dbraw/zinc/67/12/47/776671247.db2.gz XDSYWNKPUBRJRW-BDAKNGLRSA-N 1 1 308.350 -1.730 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133771153 776674778 /nfs/dbraw/zinc/67/47/78/776674778.db2.gz RCYZUMBSIYAYDY-WDEREUQCSA-N 1 1 324.385 -1.155 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(C(N)=O)co1)c1nnnn1C ZINC001133713862 776675490 /nfs/dbraw/zinc/67/54/90/776675490.db2.gz XZWFSKMYVSZSMK-SSDOTTSWSA-N 1 1 307.314 -1.017 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1C ZINC001133770622 776675692 /nfs/dbraw/zinc/67/56/92/776675692.db2.gz AUPLUWXOFRQWLN-VHSXEESVSA-N 1 1 324.385 -1.384 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)on1 ZINC001133773236 776676614 /nfs/dbraw/zinc/67/66/14/776676614.db2.gz FAFDRHMIMPFQGC-VHSXEESVSA-N 1 1 312.326 -1.078 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nnnn1C ZINC001133773433 776677201 /nfs/dbraw/zinc/67/72/01/776677201.db2.gz GOIXPIVUWVWCDE-XHNCKOQMSA-N 1 1 311.346 -1.990 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001133773227 776677729 /nfs/dbraw/zinc/67/77/29/776677729.db2.gz CTCJHXSXGAGUKK-NWDGAFQWSA-N 1 1 324.385 -1.155 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1)c1nnnn1C ZINC001133956015 776684405 /nfs/dbraw/zinc/68/44/05/776684405.db2.gz IMCKURUGWSNQSI-SSDOTTSWSA-N 1 1 306.330 -1.282 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514697 776684904 /nfs/dbraw/zinc/68/49/04/776684904.db2.gz OUPBUJHUPSRBEO-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)[C@@H](O)C1 ZINC001090514697 776684907 /nfs/dbraw/zinc/68/49/07/776684907.db2.gz OUPBUJHUPSRBEO-NEPJUHHUSA-N 1 1 310.354 -1.143 20 0 DAADMO CCOCCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170717154 776687169 /nfs/dbraw/zinc/68/71/69/776687169.db2.gz HFNLKKCNNJQTBS-UHFFFAOYSA-N 1 1 312.374 -1.404 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001134014286 776688345 /nfs/dbraw/zinc/68/83/45/776688345.db2.gz QERLWUOQXNBDSQ-UHFFFAOYSA-N 1 1 318.341 -1.128 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC[C@H]1CCCO1 ZINC001170717853 776688572 /nfs/dbraw/zinc/68/85/72/776688572.db2.gz VUBXYCYCZDHBJJ-LLVKDONJSA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC[C@H]1CCOC1 ZINC001170726339 776688735 /nfs/dbraw/zinc/68/87/35/776688735.db2.gz LHNQTQKOVGNSOR-LLVKDONJSA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)Cc1nnc[nH]1)NC[C@@H]1CCOC1 ZINC001170726341 776688920 /nfs/dbraw/zinc/68/89/20/776688920.db2.gz LHNQTQKOVGNSOR-NSHDSACASA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001134036606 776688950 /nfs/dbraw/zinc/68/89/50/776688950.db2.gz FBIKFZVEOVMPGD-NSHDSACASA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001134036606 776688954 /nfs/dbraw/zinc/68/89/54/776688954.db2.gz FBIKFZVEOVMPGD-NSHDSACASA-N 1 1 324.385 -1.404 20 0 DAADMO O=C(CCc1c[nH]nn1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001134014342 776689184 /nfs/dbraw/zinc/68/91/84/776689184.db2.gz SHWROVLFWUVATA-LBPRGKRZSA-N 1 1 324.385 -1.262 20 0 DAADMO O=C(CCc1cnn[nH]1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001134014342 776689192 /nfs/dbraw/zinc/68/91/92/776689192.db2.gz SHWROVLFWUVATA-LBPRGKRZSA-N 1 1 324.385 -1.262 20 0 DAADMO CS(=O)(=O)NCC[NH2+]CCCNC(=O)Cc1nnc[nH]1 ZINC001170725922 776689540 /nfs/dbraw/zinc/68/95/40/776689540.db2.gz HJYREVLONYVODT-UHFFFAOYSA-N 1 1 304.376 -2.008 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099521 776690106 /nfs/dbraw/zinc/69/01/06/776690106.db2.gz SPMOQEBNGVZTAJ-JTQLQIEISA-N 1 1 319.373 -1.340 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)[nH]1 ZINC001134099310 776690479 /nfs/dbraw/zinc/69/04/79/776690479.db2.gz PNNMRVNCSILXCL-JTQLQIEISA-N 1 1 319.373 -1.042 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCc3nnnn3CC2)n1 ZINC001134098485 776690739 /nfs/dbraw/zinc/69/07/39/776690739.db2.gz CVQYMLBXNIDQIX-JTQLQIEISA-N 1 1 319.373 -1.340 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)CN1CN=NC1=O ZINC001134135051 776692801 /nfs/dbraw/zinc/69/28/01/776692801.db2.gz RHKYUMPNLLPBDZ-DTWKUNHWSA-N 1 1 323.361 -1.420 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)c2cccnc2)nn1 ZINC001134150900 776693867 /nfs/dbraw/zinc/69/38/67/776693867.db2.gz PSIRVVPMYCADSP-UHFFFAOYSA-N 1 1 317.353 -1.154 20 0 DAADMO Cc1c[nH]c(CC(N)=O)c1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001134139260 776694298 /nfs/dbraw/zinc/69/42/98/776694298.db2.gz PUICORRWHRGZJU-UHFFFAOYSA-N 1 1 319.369 -1.001 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001134168951 776694605 /nfs/dbraw/zinc/69/46/05/776694605.db2.gz XRKNIFNXZSOJFO-LLVKDONJSA-N 1 1 324.385 -1.071 20 0 DAADMO O=C(Cc1nnc[nH]1)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001170734695 776694626 /nfs/dbraw/zinc/69/46/26/776694626.db2.gz NSRPTTFVKMNTOC-NSHDSACASA-N 1 1 307.358 -1.299 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC001090518245 776695818 /nfs/dbraw/zinc/69/58/18/776695818.db2.gz BPCFQWARYZOIEA-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)n1C ZINC001090518245 776695823 /nfs/dbraw/zinc/69/58/23/776695823.db2.gz BPCFQWARYZOIEA-WCQYABFASA-N 1 1 323.397 -1.018 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001134351467 776697672 /nfs/dbraw/zinc/69/76/72/776697672.db2.gz BZWVYMVZEWBROC-HTQZYQBOSA-N 1 1 319.391 -2.085 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1nncn1C ZINC001134353352 776698657 /nfs/dbraw/zinc/69/86/57/776698657.db2.gz UEKGYXNDWWWVBV-QMMMGPOBSA-N 1 1 304.376 -2.041 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC001134353283 776698712 /nfs/dbraw/zinc/69/87/12/776698712.db2.gz SLUPTZBGNDKFAF-SFYZADRCSA-N 1 1 318.403 -1.182 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O)s1 ZINC001134354015 776699661 /nfs/dbraw/zinc/69/96/61/776699661.db2.gz YTYSWYAJZBRNCW-ZETCQYMHSA-N 1 1 321.428 -1.010 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cnns1 ZINC001134353398 776699740 /nfs/dbraw/zinc/69/97/40/776699740.db2.gz UWPPODVFIQIPEG-SSDOTTSWSA-N 1 1 307.401 -1.318 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)Cn1ncnn1 ZINC001134380284 776701166 /nfs/dbraw/zinc/70/11/66/776701166.db2.gz PXDSUQYGJWFIMO-DTWKUNHWSA-N 1 1 308.350 -1.730 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461417 776703243 /nfs/dbraw/zinc/70/32/43/776703243.db2.gz UUZLLEKEQJMXOC-QMMMGPOBSA-N 1 1 324.345 -1.942 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)Cn1nccn1)[NH2+]Cc1nnn(C)n1 ZINC001134462518 776704496 /nfs/dbraw/zinc/70/44/96/776704496.db2.gz SMVLIKRNCHAPPK-ZJUUUORDSA-N 1 1 307.362 -1.125 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1nncn1C ZINC001134455521 776704510 /nfs/dbraw/zinc/70/45/10/776704510.db2.gz FHLDIAGWADOJGJ-YUMQZZPRSA-N 1 1 309.330 -1.820 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)c1nnnn1C ZINC001134455945 776704590 /nfs/dbraw/zinc/70/45/90/776704590.db2.gz MKQDKLPKFZKLPK-BQBZGAKWSA-N 1 1 310.318 -2.425 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460793 776706528 /nfs/dbraw/zinc/70/65/28/776706528.db2.gz JWFWNNREEWUKSN-QMMMGPOBSA-N 1 1 309.330 -1.898 20 0 DAADMO CC(C)n1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461347 776706780 /nfs/dbraw/zinc/70/67/80/776706780.db2.gz QVFCEABXVYXTJA-VIFPVBQESA-N 1 1 323.357 -1.337 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC001134460823 776706812 /nfs/dbraw/zinc/70/68/12/776706812.db2.gz KUICQWOTFGVWKB-VIFPVBQESA-N 1 1 309.330 -1.898 20 0 DAADMO CCn1c(C)nnc1C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460590 776707126 /nfs/dbraw/zinc/70/71/26/776707126.db2.gz FAGRPSKIWUBNSU-VIFPVBQESA-N 1 1 323.357 -1.590 20 0 DAADMO CCS(=O)(=O)NCC(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001159190325 776710778 /nfs/dbraw/zinc/71/07/78/776710778.db2.gz WPMXLYSERNPUSL-UHFFFAOYSA-N 1 1 319.387 -1.087 20 0 DAADMO CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001134524043 776710829 /nfs/dbraw/zinc/71/08/29/776710829.db2.gz IXBNLFAEEMRFJA-RKDXNWHRSA-N 1 1 312.378 -1.488 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001134524038 776710871 /nfs/dbraw/zinc/71/08/71/776710871.db2.gz IXBNLFAEEMRFJA-BDAKNGLRSA-N 1 1 312.378 -1.488 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001134614380 776711772 /nfs/dbraw/zinc/71/17/72/776711772.db2.gz WYUYYTDFZRQHHJ-UWVGGRQHSA-N 1 1 309.374 -1.292 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134641084 776714157 /nfs/dbraw/zinc/71/41/57/776714157.db2.gz QRHHNWCWRYWVDS-JTQLQIEISA-N 1 1 315.399 -1.154 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2cn(C)c(=O)n(C)c2=O)nn1 ZINC001134665997 776719582 /nfs/dbraw/zinc/71/95/82/776719582.db2.gz XAUNCBOFSANDKH-UHFFFAOYSA-N 1 1 321.341 -2.268 20 0 DAADMO CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001134696967 776719967 /nfs/dbraw/zinc/71/99/67/776719967.db2.gz VFEMCZZPZUSNQA-UHFFFAOYSA-N 1 1 312.378 -1.486 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714338 776721602 /nfs/dbraw/zinc/72/16/02/776721602.db2.gz LOXCTSXNCFAYGS-UHFFFAOYSA-N 1 1 323.313 -2.559 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+]Cc1coc(C)n1)C(N)=O ZINC001134829915 776723567 /nfs/dbraw/zinc/72/35/67/776723567.db2.gz RSHZZHVGRMBVLP-NSHDSACASA-N 1 1 311.342 -1.431 20 0 DAADMO CCn1ccc(C[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O)n1 ZINC001134830194 776724793 /nfs/dbraw/zinc/72/47/93/776724793.db2.gz ZTHQVMPEEAMXFD-LBPRGKRZSA-N 1 1 324.385 -1.511 20 0 DAADMO CC(=O)N[C@@H](CC(=O)NCC[NH2+][C@@H](C)c1ncccn1)C(N)=O ZINC001134829979 776725156 /nfs/dbraw/zinc/72/51/56/776725156.db2.gz UZQLNXLWWMXQCB-ONGXEEELSA-N 1 1 322.369 -1.377 20 0 DAADMO CC(C)c1nnnn1CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001135002093 776732950 /nfs/dbraw/zinc/73/29/50/776732950.db2.gz XOKDVSZYZALVTM-SECBINFHSA-N 1 1 322.377 -1.213 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135071552 776734496 /nfs/dbraw/zinc/73/44/96/776734496.db2.gz HMJLYGSBOFIUBW-IUCAKERBSA-N 1 1 310.358 -1.123 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001135080653 776735870 /nfs/dbraw/zinc/73/58/70/776735870.db2.gz ZDNMJJSZHARZJH-VIFPVBQESA-N 1 1 310.358 -1.250 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126238 776737537 /nfs/dbraw/zinc/73/75/37/776737537.db2.gz PBCJSNNROPGWKO-SECBINFHSA-N 1 1 316.387 -1.945 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)Cn1ncnn1 ZINC001170794393 776737652 /nfs/dbraw/zinc/73/76/52/776737652.db2.gz CPTBWTOTLIAKNJ-SNVBAGLBSA-N 1 1 322.377 -1.339 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@H]2CCN(C)S2(=O)=O)nn1 ZINC001135129570 776737664 /nfs/dbraw/zinc/73/76/64/776737664.db2.gz KYDJRQWEWGZDHS-SNVBAGLBSA-N 1 1 316.387 -1.945 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001090521745 776737677 /nfs/dbraw/zinc/73/76/77/776737677.db2.gz CTUZDVKSDYTCGN-KCJUWKMLSA-N 1 1 321.337 -1.179 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135154785 776738835 /nfs/dbraw/zinc/73/88/35/776738835.db2.gz HYDIZPKSMSHDKZ-UHFFFAOYSA-N 1 1 322.329 -2.596 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+]Cc2nnnn2C(C)C)CC1 ZINC001135258543 776744626 /nfs/dbraw/zinc/74/46/26/776744626.db2.gz KIFVRULYUYACEM-UHFFFAOYSA-N 1 1 309.374 -1.014 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135273362 776745374 /nfs/dbraw/zinc/74/53/74/776745374.db2.gz OWAJINNHLGSSGY-UHFFFAOYSA-N 1 1 323.357 -1.658 20 0 DAADMO CCCn1nnnc1C[NH2+]CCNC(=O)C1(C(=O)NC)CC1 ZINC001135253797 776745611 /nfs/dbraw/zinc/74/56/11/776745611.db2.gz LUDPHMYJHKHMHE-UHFFFAOYSA-N 1 1 309.374 -1.185 20 0 DAADMO CNC(=O)C1(C(=O)NCC[NH2+]Cc2ncnn2CCF)CC1 ZINC001135250739 776745658 /nfs/dbraw/zinc/74/56/58/776745658.db2.gz WMIHAAMCRICSCH-UHFFFAOYSA-N 1 1 312.349 -1.020 20 0 DAADMO O=C(NCC[NH2+]Cc1nnnn1C1CC1)C1CC(=O)NC(=O)C1 ZINC001135268859 776746263 /nfs/dbraw/zinc/74/62/63/776746263.db2.gz HYVGPEMFTDEHGL-UHFFFAOYSA-N 1 1 321.341 -1.733 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)n1C ZINC001135277169 776747324 /nfs/dbraw/zinc/74/73/24/776747324.db2.gz ZMQFDSLCJKIJHS-UHFFFAOYSA-N 1 1 322.369 -1.364 20 0 DAADMO Cn1ncc(C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)n1 ZINC001135282951 776747439 /nfs/dbraw/zinc/74/74/39/776747439.db2.gz CFUBFFFCVUNYBA-UHFFFAOYSA-N 1 1 306.330 -1.544 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)on1 ZINC001135270170 776747881 /nfs/dbraw/zinc/74/78/81/776747881.db2.gz TWMMOAAKASBEGM-UHFFFAOYSA-N 1 1 310.310 -1.058 20 0 DAADMO C[C@@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001135321487 776748978 /nfs/dbraw/zinc/74/89/78/776748978.db2.gz VUIUBBXLBHSUEL-IUCAKERBSA-N 1 1 320.357 -1.020 20 0 DAADMO C[C@H](C[C@H](C)[NH2+]Cc1nnn(C)n1)NC(=O)C1(C(N)=O)CC1 ZINC001135349321 776751493 /nfs/dbraw/zinc/75/14/93/776751493.db2.gz MDRPXEWELUUVFA-DTWKUNHWSA-N 1 1 309.374 -1.152 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135440818 776757872 /nfs/dbraw/zinc/75/78/72/776757872.db2.gz SKAKVEMWZBVCQS-UHFFFAOYSA-N 1 1 309.330 -1.944 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1ncn[nH]1)N1CCOC[C@H]1C1CC1 ZINC001135519844 776759355 /nfs/dbraw/zinc/75/93/55/776759355.db2.gz CFOUHNHUAGUAGB-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(C[NH2+]CCNC(=O)c1nc[nH]n1)N1CCOC[C@H]1C1CC1 ZINC001135519844 776759363 /nfs/dbraw/zinc/75/93/63/776759363.db2.gz CFOUHNHUAGUAGB-NSHDSACASA-N 1 1 322.369 -1.239 20 0 DAADMO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)c1ncn[nH]1 ZINC001135519798 776759525 /nfs/dbraw/zinc/75/95/25/776759525.db2.gz AIBFAFNPWTVOHJ-UHFFFAOYSA-N 1 1 302.360 -1.840 20 0 DAADMO O=C(NCC[NH2+]CCN1CCCS1(=O)=O)c1nc[nH]n1 ZINC001135519798 776759530 /nfs/dbraw/zinc/75/95/30/776759530.db2.gz AIBFAFNPWTVOHJ-UHFFFAOYSA-N 1 1 302.360 -1.840 20 0 DAADMO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)CC1 ZINC001135526173 776759669 /nfs/dbraw/zinc/75/96/69/776759669.db2.gz UUYJWMCCNGACQT-UHFFFAOYSA-N 1 1 323.357 -2.152 20 0 DAADMO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)CC1 ZINC001135526173 776759674 /nfs/dbraw/zinc/75/96/74/776759674.db2.gz UUYJWMCCNGACQT-UHFFFAOYSA-N 1 1 323.357 -2.152 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ncn[nH]2)C[C@H](C)O1 ZINC001135525984 776760003 /nfs/dbraw/zinc/76/00/03/776760003.db2.gz MFRRFYKKGXODKB-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2nc[nH]n2)C[C@H](C)O1 ZINC001135525984 776760011 /nfs/dbraw/zinc/76/00/11/776760011.db2.gz MFRRFYKKGXODKB-UWVGGRQHSA-N 1 1 310.358 -1.240 20 0 DAADMO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3ncn[nH]3)C2=O)cn1 ZINC001135526239 776760306 /nfs/dbraw/zinc/76/03/06/776760306.db2.gz XHWAVGDQOCRQBI-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)c3nc[nH]n3)C2=O)cn1 ZINC001135526239 776760313 /nfs/dbraw/zinc/76/03/13/776760313.db2.gz XHWAVGDQOCRQBI-SNVBAGLBSA-N 1 1 318.341 -1.337 20 0 DAADMO CCn1nc(C(=O)NCC[NH2+]Cc2cn(C)nn2)ccc1=O ZINC001135483108 776760402 /nfs/dbraw/zinc/76/04/02/776760402.db2.gz SCTJBTLLDMLNOW-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1ncn[nH]1 ZINC001135526026 776760610 /nfs/dbraw/zinc/76/06/10/776760610.db2.gz NSMWXVARPDDNKI-UHFFFAOYSA-N 1 1 311.346 -1.252 20 0 DAADMO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)c1nc[nH]n1 ZINC001135526026 776760613 /nfs/dbraw/zinc/76/06/13/776760613.db2.gz NSMWXVARPDDNKI-UHFFFAOYSA-N 1 1 311.346 -1.252 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1nc2ncccn2n1 ZINC001135554629 776761857 /nfs/dbraw/zinc/76/18/57/776761857.db2.gz WQSUZASOXGMXLZ-UHFFFAOYSA-N 1 1 302.302 -1.833 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cc2ncccn2n1 ZINC001135582695 776763422 /nfs/dbraw/zinc/76/34/22/776763422.db2.gz RQXAJYOWLQCHQJ-UHFFFAOYSA-N 1 1 301.314 -1.228 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001135681111 776766589 /nfs/dbraw/zinc/76/65/89/776766589.db2.gz BKDITLCCSNTZLM-UHFFFAOYSA-N 1 1 305.346 -1.035 20 0 DAADMO O=C(CCn1cnnn1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135677792 776767448 /nfs/dbraw/zinc/76/74/48/776767448.db2.gz ZKQKUBLKGWXRDA-UHFFFAOYSA-N 1 1 306.334 -1.709 20 0 DAADMO CC(C)n1nnnc1C[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135684566 776767546 /nfs/dbraw/zinc/76/75/46/776767546.db2.gz NATUEXUFVVSNNX-UHFFFAOYSA-N 1 1 308.350 -1.463 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1ncn[nH]1)[NH2+]CCNS(C)(=O)=O ZINC001135734900 776769534 /nfs/dbraw/zinc/76/95/34/776769534.db2.gz POQQKZADSGSULV-BDAKNGLRSA-N 1 1 318.403 -1.160 20 0 DAADMO C[C@H](C[C@H](C)NC(=O)c1nc[nH]n1)[NH2+]CCNS(C)(=O)=O ZINC001135734900 776769542 /nfs/dbraw/zinc/76/95/42/776769542.db2.gz POQQKZADSGSULV-BDAKNGLRSA-N 1 1 318.403 -1.160 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCNC3=O)C2)n1 ZINC001086777057 776770418 /nfs/dbraw/zinc/77/04/18/776770418.db2.gz ZRPXCRVQISOHHY-AXFHLTTASA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)n1 ZINC001086791446 776770605 /nfs/dbraw/zinc/77/06/05/776770605.db2.gz ZJBLQOCKCHRLAY-AEJSXWLSSA-N 1 1 322.373 -1.734 20 0 DAADMO CC[C@@]([NH3+])(CO)Nc1ncc(C(=O)OC)cc1S(N)(=O)=O ZINC001170860485 776772297 /nfs/dbraw/zinc/77/22/97/776772297.db2.gz XBMYYSJQCSWXBH-NSHDSACASA-N 1 1 318.355 -1.015 20 0 DAADMO Cc1cc(C)n(CC(=O)NCC[NH2+]Cc2nnnn2C)c(=O)n1 ZINC001135831814 776772903 /nfs/dbraw/zinc/77/29/03/776772903.db2.gz SUOYCUPYSGUGSW-UHFFFAOYSA-N 1 1 320.357 -1.710 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1)c1nnnn1C ZINC001135809597 776772955 /nfs/dbraw/zinc/77/29/55/776772955.db2.gz DVCFKFOBDNVDFN-SSDOTTSWSA-N 1 1 306.330 -1.282 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525626 776774149 /nfs/dbraw/zinc/77/41/49/776774149.db2.gz MHWAMSFZHSFAIZ-ONGXEEELSA-N 1 1 323.353 -1.977 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525626 776774154 /nfs/dbraw/zinc/77/41/54/776774154.db2.gz MHWAMSFZHSFAIZ-ONGXEEELSA-N 1 1 323.353 -1.977 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135963312 776776730 /nfs/dbraw/zinc/77/67/30/776776730.db2.gz GFQMIGFLMVYYCA-UHFFFAOYSA-N 1 1 305.346 -1.269 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)CCn1cnccc1=O)c1nnnn1C ZINC001136022339 776777348 /nfs/dbraw/zinc/77/73/48/776777348.db2.gz ZFMLTKWWPNOYAQ-JTQLQIEISA-N 1 1 320.357 -1.376 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCn2cnccc2=O)nn1 ZINC001136021795 776777541 /nfs/dbraw/zinc/77/75/41/776777541.db2.gz BZZVSEABUWLLOX-UHFFFAOYSA-N 1 1 305.342 -1.332 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C2(S(C)(=O)=O)CCC2)nn1 ZINC001136107785 776781306 /nfs/dbraw/zinc/78/13/06/776781306.db2.gz USXJXZINVWQBJI-UHFFFAOYSA-N 1 1 315.399 -1.012 20 0 DAADMO C[NH+]1CCN(CCCCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001136187507 776782048 /nfs/dbraw/zinc/78/20/48/776782048.db2.gz CSLRRYMVYPAZIX-NSHDSACASA-N 1 1 311.386 -1.272 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001136216467 776782224 /nfs/dbraw/zinc/78/22/24/776782224.db2.gz MLRVADJOPZRPRV-LLVKDONJSA-N 1 1 301.391 -1.841 20 0 DAADMO COC(=O)CNC(=O)CNc1nccnc1N1CC[NH+](C)CC1 ZINC001170946714 776784934 /nfs/dbraw/zinc/78/49/34/776784934.db2.gz ANVRZWFBOHIBEQ-UHFFFAOYSA-N 1 1 322.369 -1.071 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090532419 776785174 /nfs/dbraw/zinc/78/51/74/776785174.db2.gz RKEZRFUMKFOBRZ-VXGBXAGGSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)c1 ZINC001090532419 776785181 /nfs/dbraw/zinc/78/51/81/776785181.db2.gz RKEZRFUMKFOBRZ-VXGBXAGGSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532561 776785251 /nfs/dbraw/zinc/78/52/51/776785251.db2.gz SJLUWQWQDVLNPS-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cn1 ZINC001090532561 776785255 /nfs/dbraw/zinc/78/52/55/776785255.db2.gz SJLUWQWQDVLNPS-QWRGUYRKSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532556 776785314 /nfs/dbraw/zinc/78/53/14/776785314.db2.gz SJLUWQWQDVLNPS-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)cn1 ZINC001090532556 776785318 /nfs/dbraw/zinc/78/53/18/776785318.db2.gz SJLUWQWQDVLNPS-GHMZBOCLSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001090532461 776785559 /nfs/dbraw/zinc/78/55/59/776785559.db2.gz BKNHPQJRZQRVOG-ZYHUDNBSSA-N 1 1 319.321 -1.241 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@H](O)C2)n1 ZINC001090533974 776786527 /nfs/dbraw/zinc/78/65/27/776786527.db2.gz LCXGDJRXWOAWEB-VXGBXAGGSA-N 1 1 309.370 -1.463 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H](O)C2)cc1=O ZINC001090533308 776786571 /nfs/dbraw/zinc/78/65/71/776786571.db2.gz YVCDOLYGVVGHKI-WDEREUQCSA-N 1 1 308.338 -2.078 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)n1 ZINC001090533973 776786634 /nfs/dbraw/zinc/78/66/34/776786634.db2.gz LCXGDJRXWOAWEB-RYUDHWBXSA-N 1 1 309.370 -1.463 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1=O ZINC001090533307 776787029 /nfs/dbraw/zinc/78/70/29/776787029.db2.gz YVCDOLYGVVGHKI-QWRGUYRKSA-N 1 1 308.338 -2.078 20 0 DAADMO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)cc1=O ZINC001090533306 776787223 /nfs/dbraw/zinc/78/72/23/776787223.db2.gz YVCDOLYGVVGHKI-MNOVXSKESA-N 1 1 308.338 -2.078 20 0 DAADMO COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533188 776787262 /nfs/dbraw/zinc/78/72/62/776787262.db2.gz XDZSHFDCYXDXCK-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO COc1ncccc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090533188 776787264 /nfs/dbraw/zinc/78/72/64/776787264.db2.gz XDZSHFDCYXDXCK-WDEREUQCSA-N 1 1 308.338 -1.373 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001090533309 776787324 /nfs/dbraw/zinc/78/73/24/776787324.db2.gz YVZSRPCXYVSVJP-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001090533309 776787326 /nfs/dbraw/zinc/78/73/26/776787326.db2.gz YVZSRPCXYVSVJP-GHMZBOCLSA-N 1 1 312.370 -1.964 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001090534612 776788117 /nfs/dbraw/zinc/78/81/17/776788117.db2.gz PSUMXYBNVTZQBH-NWDGAFQWSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001090534612 776788121 /nfs/dbraw/zinc/78/81/21/776788121.db2.gz PSUMXYBNVTZQBH-NWDGAFQWSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001090534617 776788139 /nfs/dbraw/zinc/78/81/39/776788139.db2.gz PSUMXYBNVTZQBH-RYUDHWBXSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001090534617 776788145 /nfs/dbraw/zinc/78/81/45/776788145.db2.gz PSUMXYBNVTZQBH-RYUDHWBXSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001090538303 776788491 /nfs/dbraw/zinc/78/84/91/776788491.db2.gz QJINEZGWOUXAKV-HTQZYQBOSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001090534610 776788591 /nfs/dbraw/zinc/78/85/91/776788591.db2.gz PSUMXYBNVTZQBH-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001090534610 776788595 /nfs/dbraw/zinc/78/85/95/776788595.db2.gz PSUMXYBNVTZQBH-NEPJUHHUSA-N 1 1 320.349 -1.678 20 0 DAADMO NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001090541958 776789902 /nfs/dbraw/zinc/78/99/02/776789902.db2.gz YHZFQQVJSNEZLK-DTWKUNHWSA-N 1 1 312.326 -2.828 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)[nH]1 ZINC001090574905 776791112 /nfs/dbraw/zinc/79/11/12/776791112.db2.gz ZBRDGRZNJHQLGR-JOYOIKCWSA-N 1 1 310.354 -1.339 20 0 DAADMO COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090576893 776791530 /nfs/dbraw/zinc/79/15/30/776791530.db2.gz OISIKRKLJXWDAF-GHMZBOCLSA-N 1 1 311.338 -1.047 20 0 DAADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)ncc1C(N)=O ZINC001090584669 776793102 /nfs/dbraw/zinc/79/31/02/776793102.db2.gz UWDOZDOUALFGLV-DGCLKSJQSA-N 1 1 322.365 -1.354 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccnnc1 ZINC001090589166 776793222 /nfs/dbraw/zinc/79/32/22/776793222.db2.gz JJGVCWFZQGZOPB-STQMWFEESA-N 1 1 317.353 -1.067 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090582054 776793328 /nfs/dbraw/zinc/79/33/28/776793328.db2.gz UZCTUDLNXBWUHL-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO Cc1ccn(CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090582054 776793331 /nfs/dbraw/zinc/79/33/31/776793331.db2.gz UZCTUDLNXBWUHL-STQMWFEESA-N 1 1 323.397 -1.169 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC001090588365 776793871 /nfs/dbraw/zinc/79/38/71/776793871.db2.gz CUHLOTNJYOPEON-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)[C@H](O)C1)N1CCC1 ZINC001090588365 776793878 /nfs/dbraw/zinc/79/38/78/776793878.db2.gz CUHLOTNJYOPEON-CHWSQXEVSA-N 1 1 319.365 -1.126 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](O)C1 ZINC001090610447 776795189 /nfs/dbraw/zinc/79/51/89/776795189.db2.gz SBFTYHCEGIUTCX-WDEREUQCSA-N 1 1 310.354 -1.731 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610089 776796343 /nfs/dbraw/zinc/79/63/43/776796343.db2.gz PVNYXABPQKLOTP-RYUDHWBXSA-N 1 1 324.381 -1.341 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)Cn2ncn3nccc3c2=O)[C@@H](O)C1 ZINC001090603954 776796947 /nfs/dbraw/zinc/79/69/47/776796947.db2.gz ABWPGNZAUYUPQV-JQWIXIFHSA-N 1 1 320.353 -1.538 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](O)C1 ZINC001090610443 776797001 /nfs/dbraw/zinc/79/70/01/776797001.db2.gz SBFTYHCEGIUTCX-MNOVXSKESA-N 1 1 310.354 -1.731 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090640529 776799609 /nfs/dbraw/zinc/79/96/09/776799609.db2.gz JFFVVFVYRPHWHB-GHMZBOCLSA-N 1 1 313.354 -1.763 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090633626 776799894 /nfs/dbraw/zinc/79/98/94/776799894.db2.gz PJJBCWLRTVVSML-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2O)n1 ZINC001090633626 776799898 /nfs/dbraw/zinc/79/98/98/776799898.db2.gz PJJBCWLRTVVSML-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCF)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001090642721 776801839 /nfs/dbraw/zinc/80/18/39/776801839.db2.gz ZBNGBEKXSWYWMP-WDEREUQCSA-N 1 1 315.345 -1.050 20 0 DAADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C[C@@H]2O)n1 ZINC001090643143 776802202 /nfs/dbraw/zinc/80/22/02/776802202.db2.gz DRKKIZOFANCNGE-JQWIXIFHSA-N 1 1 320.357 -1.728 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001090642720 776802420 /nfs/dbraw/zinc/80/24/20/776802420.db2.gz ZBNGBEKXSWYWMP-QWRGUYRKSA-N 1 1 315.345 -1.050 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC001090643713 776802541 /nfs/dbraw/zinc/80/25/41/776802541.db2.gz HBXNTXMOXDAEPS-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC001090643713 776802543 /nfs/dbraw/zinc/80/25/43/776802543.db2.gz HBXNTXMOXDAEPS-DGCLKSJQSA-N 1 1 319.369 -1.086 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090645989 776802656 /nfs/dbraw/zinc/80/26/56/776802656.db2.gz UXWONQDKHHLDRB-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001090645989 776802659 /nfs/dbraw/zinc/80/26/59/776802659.db2.gz UXWONQDKHHLDRB-ONGXEEELSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090645988 776802727 /nfs/dbraw/zinc/80/27/27/776802727.db2.gz UXWONQDKHHLDRB-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC001090645988 776802738 /nfs/dbraw/zinc/80/27/38/776802738.db2.gz UXWONQDKHHLDRB-MWLCHTKSSA-N 1 1 310.358 -1.932 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC001090643716 776802998 /nfs/dbraw/zinc/80/29/98/776802998.db2.gz HBXNTXMOXDAEPS-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)cn1 ZINC001090643716 776803005 /nfs/dbraw/zinc/80/30/05/776803005.db2.gz HBXNTXMOXDAEPS-WCQYABFASA-N 1 1 319.369 -1.086 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090652296 776804776 /nfs/dbraw/zinc/80/47/76/776804776.db2.gz LVKQPUBLRIUDTI-WDEREUQCSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090655927 776807663 /nfs/dbraw/zinc/80/76/63/776807663.db2.gz XQFFEMXJBRWHMJ-DTWKUNHWSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090655927 776807672 /nfs/dbraw/zinc/80/76/72/776807672.db2.gz XQFFEMXJBRWHMJ-DTWKUNHWSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090655774 776807863 /nfs/dbraw/zinc/80/78/63/776807863.db2.gz VTWIAJPVPWOUOX-NWDGAFQWSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090653965 776808036 /nfs/dbraw/zinc/80/80/36/776808036.db2.gz CGXXUAMNWIZNIJ-IUCAKERBSA-N 1 1 300.315 -2.918 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090655467 776808406 /nfs/dbraw/zinc/80/84/06/776808406.db2.gz RQGZNAPXHLGNCJ-UWVGGRQHSA-N 1 1 316.333 -1.551 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090653964 776808539 /nfs/dbraw/zinc/80/85/39/776808539.db2.gz CGXXUAMNWIZNIJ-DTWKUNHWSA-N 1 1 300.315 -2.918 20 0 DAADMO O=C(CN1CC(=O)NC1=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090655776 776808563 /nfs/dbraw/zinc/80/85/63/776808563.db2.gz VTWIAJPVPWOUOX-VXGBXAGGSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001090657494 776809758 /nfs/dbraw/zinc/80/97/58/776809758.db2.gz CBTMYTSADCRFMG-WDEREUQCSA-N 1 1 320.353 -1.328 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1nc2ncccn2n1 ZINC001090658194 776809937 /nfs/dbraw/zinc/80/99/37/776809937.db2.gz SGLRAUXZUWCJGA-NXEZZACHSA-N 1 1 306.326 -1.718 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001090658336 776809965 /nfs/dbraw/zinc/80/99/65/776809965.db2.gz WWLAXVFAZPBRQH-QWRGUYRKSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC001090658332 776810371 /nfs/dbraw/zinc/81/03/71/776810371.db2.gz WUFRAYXFZRFXIY-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001090658332 776810382 /nfs/dbraw/zinc/81/03/82/776810382.db2.gz WUFRAYXFZRFXIY-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001090658332 776810393 /nfs/dbraw/zinc/81/03/93/776810393.db2.gz WUFRAYXFZRFXIY-QWRGUYRKSA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1nnc[nH]1 ZINC001090658331 776811747 /nfs/dbraw/zinc/81/17/47/776811747.db2.gz WUFRAYXFZRFXIY-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001090658331 776811758 /nfs/dbraw/zinc/81/17/58/776811758.db2.gz WUFRAYXFZRFXIY-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001090658331 776811769 /nfs/dbraw/zinc/81/17/69/776811769.db2.gz WUFRAYXFZRFXIY-MNOVXSKESA-N 1 1 305.342 -1.134 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](O)C1 ZINC001090657486 776812116 /nfs/dbraw/zinc/81/21/16/776812116.db2.gz BZSSBVVOQOPKCZ-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001090657486 776812126 /nfs/dbraw/zinc/81/21/26/776812126.db2.gz BZSSBVVOQOPKCZ-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC001090657486 776812134 /nfs/dbraw/zinc/81/21/34/776812134.db2.gz BZSSBVVOQOPKCZ-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657486 776812141 /nfs/dbraw/zinc/81/21/41/776812141.db2.gz BZSSBVVOQOPKCZ-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC001090657486 776812151 /nfs/dbraw/zinc/81/21/51/776812151.db2.gz BZSSBVVOQOPKCZ-VXGBXAGGSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)[C@@H](O)C2)cn1 ZINC001090657594 776812166 /nfs/dbraw/zinc/81/21/66/776812166.db2.gz DAJCABUIISBPPU-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)cn1 ZINC001090657594 776812174 /nfs/dbraw/zinc/81/21/74/776812174.db2.gz DAJCABUIISBPPU-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)[C@@H](O)C2)cn1 ZINC001090657594 776812184 /nfs/dbraw/zinc/81/21/84/776812184.db2.gz DAJCABUIISBPPU-NEPJUHHUSA-N 1 1 319.369 -1.054 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O)c1cnon1 ZINC001090658772 776812757 /nfs/dbraw/zinc/81/27/57/776812757.db2.gz BCCQXAOKNCINFL-KOLCDFICSA-N 1 1 324.341 -1.740 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1cnon1 ZINC001090660474 776813345 /nfs/dbraw/zinc/81/33/45/776813345.db2.gz SEODLGORRNNJHD-PWSUYJOCSA-N 1 1 323.353 -1.143 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1cnon1 ZINC001090660214 776813523 /nfs/dbraw/zinc/81/35/23/776813523.db2.gz OXLQEROGPXGFGQ-MWLCHTKSSA-N 1 1 307.314 -1.474 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ncccn1 ZINC001090664483 776814236 /nfs/dbraw/zinc/81/42/36/776814236.db2.gz KIBCTUKOJIQMDE-NEPJUHHUSA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)c1ccncn1 ZINC001090664981 776816686 /nfs/dbraw/zinc/81/66/86/776816686.db2.gz SRAGKHXJAQVTDV-AAEUAGOBSA-N 1 1 317.353 -1.067 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)c1ccncn1 ZINC001090664982 776817135 /nfs/dbraw/zinc/81/71/35/776817135.db2.gz SRAGKHXJAQVTDV-DGCLKSJQSA-N 1 1 317.353 -1.067 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673368 776817941 /nfs/dbraw/zinc/81/79/41/776817941.db2.gz KCMUZBTZYFCARC-MNOVXSKESA-N 1 1 309.370 -1.408 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001090673368 776817955 /nfs/dbraw/zinc/81/79/55/776817955.db2.gz KCMUZBTZYFCARC-MNOVXSKESA-N 1 1 309.370 -1.408 20 0 DAADMO Cc1cc(C)n(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c(=O)n1 ZINC001090674259 776819611 /nfs/dbraw/zinc/81/96/11/776819611.db2.gz RNNXRUQYMRFLMD-CHWSQXEVSA-N 1 1 324.381 -1.596 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090673455 776820084 /nfs/dbraw/zinc/82/00/84/776820084.db2.gz KVSCWBDIILEOJO-VXGBXAGGSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(Cc1ncc[nH]1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090673455 776820092 /nfs/dbraw/zinc/82/00/92/776820092.db2.gz KVSCWBDIILEOJO-VXGBXAGGSA-N 1 1 321.381 -1.264 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)c1cn(CC2CC2)nn1 ZINC001090684330 776820395 /nfs/dbraw/zinc/82/03/95/776820395.db2.gz XBUVRVJQYGUTLI-DGCLKSJQSA-N 1 1 309.370 -1.155 20 0 DAADMO O=C(CN1CCC(=O)NC1=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090708016 776824240 /nfs/dbraw/zinc/82/42/40/776824240.db2.gz CPHZQTVQXQYQJZ-VHSXEESVSA-N 1 1 314.342 -2.528 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001090708711 776824735 /nfs/dbraw/zinc/82/47/35/776824735.db2.gz XCJNKPRZCOEVQL-NEPJUHHUSA-N 1 1 319.369 -1.168 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cn1 ZINC001090708711 776824741 /nfs/dbraw/zinc/82/47/41/776824741.db2.gz XCJNKPRZCOEVQL-NEPJUHHUSA-N 1 1 319.369 -1.168 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](O)C1 ZINC001090704558 776826610 /nfs/dbraw/zinc/82/66/10/776826610.db2.gz MZMQMECYGIEBPN-VHSXEESVSA-N 1 1 312.370 -1.112 20 0 DAADMO Cc1nc2nccc(C(=O)N[C@H]3CC[N@@H+](CCO)C[C@@H]3O)n2n1 ZINC001090722602 776828591 /nfs/dbraw/zinc/82/85/91/776828591.db2.gz OEVSIXCEOHHNBD-JQWIXIFHSA-N 1 1 320.353 -1.410 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001090722473 776830083 /nfs/dbraw/zinc/83/00/83/776830083.db2.gz MERAEYIPYLMCBA-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090716560 776830115 /nfs/dbraw/zinc/83/01/15/776830115.db2.gz RCUMTPSBXCXAAJ-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001090716560 776830126 /nfs/dbraw/zinc/83/01/26/776830126.db2.gz RCUMTPSBXCXAAJ-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(Cc1nnc[nH]1)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001090716560 776830137 /nfs/dbraw/zinc/83/01/37/776830137.db2.gz RCUMTPSBXCXAAJ-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)C1=O ZINC001090722426 776830290 /nfs/dbraw/zinc/83/02/90/776830290.db2.gz LKSUEHWAKPOWGX-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001090722426 776830300 /nfs/dbraw/zinc/83/03/00/776830300.db2.gz LKSUEHWAKPOWGX-UWVGGRQHSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)C1=O ZINC001090722427 776830419 /nfs/dbraw/zinc/83/04/19/776830419.db2.gz LKSUEHWAKPOWGX-VHSXEESVSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)C1=O ZINC001090722427 776830428 /nfs/dbraw/zinc/83/04/28/776830428.db2.gz LKSUEHWAKPOWGX-VHSXEESVSA-N 1 1 316.333 -1.599 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090722753 776830453 /nfs/dbraw/zinc/83/04/53/776830453.db2.gz PQQCZSRXNFTQDM-GHMZBOCLSA-N 1 1 312.370 -1.160 20 0 DAADMO CN1C(=O)CN(CC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)C1=O ZINC001090722497 776830762 /nfs/dbraw/zinc/83/07/62/776830762.db2.gz MPRIQMMSZSMJMF-NXEZZACHSA-N 1 1 314.342 -2.576 20 0 DAADMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](O)C1 ZINC001090724418 776831687 /nfs/dbraw/zinc/83/16/87/776831687.db2.gz IWOBNKLMPGGOHI-GXSJLCMTSA-N 1 1 320.353 -1.007 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710487 776831911 /nfs/dbraw/zinc/83/19/11/776831911.db2.gz VXMNTRDVRYEHGX-GHMZBOCLSA-N 1 1 312.370 -1.112 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090723927 776832586 /nfs/dbraw/zinc/83/25/86/776832586.db2.gz ZKIRKGNZDMBNFB-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)c1cc(=O)n2[nH]cnc2n1 ZINC001090724468 776834190 /nfs/dbraw/zinc/83/41/90/776834190.db2.gz JPSYFKBEFIFKQE-WCBMZHEXSA-N 1 1 322.325 -2.425 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090731378 776834746 /nfs/dbraw/zinc/83/47/46/776834746.db2.gz QVJMFAAEYVGTQL-ZJUUUORDSA-N 1 1 311.338 -1.047 20 0 DAADMO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)nn1 ZINC001090735239 776837302 /nfs/dbraw/zinc/83/73/02/776837302.db2.gz VUHSNXPTFNPREX-ZYHUDNBSSA-N 1 1 309.370 -1.300 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115035392 776838281 /nfs/dbraw/zinc/83/82/81/776838281.db2.gz BHVPOAZGKCGAHX-YJQGPUDQSA-N 1 1 308.382 -1.307 20 0 DAADMO Cc1nn(CC(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2O)c(=O)n1C ZINC001090769866 776838420 /nfs/dbraw/zinc/83/84/20/776838420.db2.gz GNVSBKKWZOLUKJ-NEPJUHHUSA-N 1 1 311.386 -1.150 20 0 DAADMO COc1c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cnn1C ZINC001090759958 776839915 /nfs/dbraw/zinc/83/99/15/776839915.db2.gz MZUIWVQYSXCOKN-RYUDHWBXSA-N 1 1 312.370 -1.024 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090768433 776841180 /nfs/dbraw/zinc/84/11/80/776841180.db2.gz UVIWXLALLAAMSJ-GWCFXTLKSA-N 1 1 322.365 -1.402 20 0 DAADMO CNC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090768438 776841464 /nfs/dbraw/zinc/84/14/64/776841464.db2.gz UVIWXLALLAAMSJ-MFKMUULPSA-N 1 1 322.365 -1.402 20 0 DAADMO Cc1nn(CC(=O)N[C@H]2CC[N@H+](C(C)C)C[C@H]2O)c(=O)n1C ZINC001090769868 776842213 /nfs/dbraw/zinc/84/22/13/776842213.db2.gz GNVSBKKWZOLUKJ-NWDGAFQWSA-N 1 1 311.386 -1.150 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090785211 776842656 /nfs/dbraw/zinc/84/26/56/776842656.db2.gz XZRJMMVCPLTIBZ-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090785211 776842663 /nfs/dbraw/zinc/84/26/63/776842663.db2.gz XZRJMMVCPLTIBZ-VXGBXAGGSA-N 1 1 322.369 -1.938 20 0 DAADMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)ccc1=O ZINC001090790227 776843490 /nfs/dbraw/zinc/84/34/90/776843490.db2.gz LOIAQYYEXOKAHU-PWSUYJOCSA-N 1 1 310.354 -1.672 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001090791958 776843878 /nfs/dbraw/zinc/84/38/78/776843878.db2.gz XWVBEOLTOKSYRZ-NEPJUHHUSA-N 1 1 320.357 -1.879 20 0 DAADMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001090789986 776844549 /nfs/dbraw/zinc/84/45/49/776844549.db2.gz KMUNSFGELZSQAJ-CMPLNLGQSA-N 1 1 310.354 -1.408 20 0 DAADMO CCCn1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)ccc1=O ZINC001090794131 776845101 /nfs/dbraw/zinc/84/51/01/776845101.db2.gz KHIYBPWQYPVPSI-WCQYABFASA-N 1 1 324.381 -1.189 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)C1=O ZINC001090792627 776845142 /nfs/dbraw/zinc/84/51/42/776845142.db2.gz FYTVHGSVSWCGJT-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)C1=O ZINC001090792627 776845152 /nfs/dbraw/zinc/84/51/52/776845152.db2.gz FYTVHGSVSWCGJT-ZJUUUORDSA-N 1 1 316.333 -1.599 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)C1=O ZINC001090791522 776845764 /nfs/dbraw/zinc/84/57/64/776845764.db2.gz ASCKVBAHOZVUMM-NWDGAFQWSA-N 1 1 324.381 -1.158 20 0 DAADMO Cc1csc(=O)n1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090793765 776846034 /nfs/dbraw/zinc/84/60/34/776846034.db2.gz HTUIHRYGLUCPBP-GHMZBOCLSA-N 1 1 315.395 -1.238 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090794061 776846165 /nfs/dbraw/zinc/84/61/65/776846165.db2.gz MZECZCNPZZGNKN-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO CN1CC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)C1=O ZINC001090791521 776846206 /nfs/dbraw/zinc/84/62/06/776846206.db2.gz ASCKVBAHOZVUMM-NEPJUHHUSA-N 1 1 324.381 -1.158 20 0 DAADMO CCCn1nc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)ccc1=O ZINC001090794129 776846366 /nfs/dbraw/zinc/84/63/66/776846366.db2.gz KHIYBPWQYPVPSI-AAEUAGOBSA-N 1 1 324.381 -1.189 20 0 DAADMO O=C(CN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090797292 776847654 /nfs/dbraw/zinc/84/76/54/776847654.db2.gz WUTSEWBSIHRUGS-QWRGUYRKSA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090795434 776848003 /nfs/dbraw/zinc/84/80/03/776848003.db2.gz XAZBABAZHKOMNX-IUCAKERBSA-N 1 1 300.315 -2.918 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090792843 776848188 /nfs/dbraw/zinc/84/81/88/776848188.db2.gz AXMXCBBNMYISOR-NWDGAFQWSA-N 1 1 314.386 -1.679 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090792847 776848363 /nfs/dbraw/zinc/84/83/63/776848363.db2.gz AXMXCBBNMYISOR-VXGBXAGGSA-N 1 1 314.386 -1.679 20 0 DAADMO CC(C)[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090794740 776848563 /nfs/dbraw/zinc/84/85/63/776848563.db2.gz SWKGIHACXIXZTP-QWRGUYRKSA-N 1 1 312.370 -1.160 20 0 DAADMO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795126 776848861 /nfs/dbraw/zinc/84/88/61/776848861.db2.gz UHEOHQIKAUKCJG-MNOVXSKESA-N 1 1 312.370 -1.254 20 0 DAADMO NC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090792845 776849182 /nfs/dbraw/zinc/84/91/82/776849182.db2.gz AXMXCBBNMYISOR-RYUDHWBXSA-N 1 1 314.386 -1.679 20 0 DAADMO CCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090795690 776849357 /nfs/dbraw/zinc/84/93/57/776849357.db2.gz YQRFZVUIRPOIBR-GHMZBOCLSA-N 1 1 312.370 -1.158 20 0 DAADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090794738 776849542 /nfs/dbraw/zinc/84/95/42/776849542.db2.gz SWKGIHACXIXZTP-GHMZBOCLSA-N 1 1 312.370 -1.160 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090792702 776849609 /nfs/dbraw/zinc/84/96/09/776849609.db2.gz GWPVBOOWYHGUHN-NXEZZACHSA-N 1 1 323.353 -1.877 20 0 DAADMO CC(C)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795127 776849699 /nfs/dbraw/zinc/84/96/99/776849699.db2.gz UHEOHQIKAUKCJG-QWRGUYRKSA-N 1 1 312.370 -1.254 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090795147 776850415 /nfs/dbraw/zinc/85/04/15/776850415.db2.gz UNSXCEMIPKKJIE-IUCAKERBSA-N 1 1 302.306 -1.941 20 0 DAADMO O=C(CN1C(=O)CNC1=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090795147 776850424 /nfs/dbraw/zinc/85/04/24/776850424.db2.gz UNSXCEMIPKKJIE-IUCAKERBSA-N 1 1 302.306 -1.941 20 0 DAADMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)c(=O)[nH]c1=O ZINC001090805785 776850884 /nfs/dbraw/zinc/85/08/84/776850884.db2.gz PUXDNRMMKLUGLQ-UWVGGRQHSA-N 1 1 312.326 -2.357 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001090802875 776851853 /nfs/dbraw/zinc/85/18/53/776851853.db2.gz SYTRWWHLWIFOMB-OLZOCXBDSA-N 1 1 307.350 -1.057 20 0 DAADMO CNC(=O)CN1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808390 776853143 /nfs/dbraw/zinc/85/31/43/776853143.db2.gz KAIAQBQWWOCYGG-NWDGAFQWSA-N 1 1 309.370 -1.511 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001090808090 776854547 /nfs/dbraw/zinc/85/45/47/776854547.db2.gz GARXNZGNYOJYMJ-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)n1 ZINC001090808090 776854556 /nfs/dbraw/zinc/85/45/56/776854556.db2.gz GARXNZGNYOJYMJ-YPMHNXCESA-N 1 1 321.381 -1.183 20 0 DAADMO NC(=O)c1cncc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)c1 ZINC001090819507 776855733 /nfs/dbraw/zinc/85/57/33/776855733.db2.gz BWWZFJXNXGUHNF-VXGBXAGGSA-N 1 1 308.338 -1.662 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090818899 776857195 /nfs/dbraw/zinc/85/71/95/776857195.db2.gz XLZMVTFLCVWQHW-UONOGXRCSA-N 1 1 322.413 -1.075 20 0 DAADMO O=C(CN1CCCC1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090818899 776857201 /nfs/dbraw/zinc/85/72/01/776857201.db2.gz XLZMVTFLCVWQHW-UONOGXRCSA-N 1 1 322.413 -1.075 20 0 DAADMO C[C@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1C(=O)C(N)=O ZINC001287896130 777884818 /nfs/dbraw/zinc/88/48/18/777884818.db2.gz IMBIFANHCWKZOM-QWRGUYRKSA-N 1 1 312.370 -1.700 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001288148898 777895644 /nfs/dbraw/zinc/89/56/44/777895644.db2.gz SUNDMMFZJNLADD-JTQLQIEISA-N 1 1 302.375 -1.910 20 0 DAADMO COCCN(CCNC(=O)Cn1cc[nH+]c1C)C(=O)C(N)=O ZINC001288245539 777896808 /nfs/dbraw/zinc/89/68/08/777896808.db2.gz NTNZOWLBWMQTQI-UHFFFAOYSA-N 1 1 311.342 -1.732 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001288610713 777902479 /nfs/dbraw/zinc/90/24/79/777902479.db2.gz KFUXVOBSDHIALI-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO CCN(C(=O)C(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001288610713 777902484 /nfs/dbraw/zinc/90/24/84/777902484.db2.gz KFUXVOBSDHIALI-NXEZZACHSA-N 1 1 300.359 -1.845 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCC2(CNC(=O)C(N)=O)CC2)C1 ZINC001288760886 777903499 /nfs/dbraw/zinc/90/34/99/777903499.db2.gz BYRXNGPDNZQKMF-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCC2(CNC(=O)C(N)=O)CC2)C1 ZINC001288760886 777903507 /nfs/dbraw/zinc/90/35/07/777903507.db2.gz BYRXNGPDNZQKMF-JTQLQIEISA-N 1 1 312.370 -1.795 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O)CC(C)(C)C ZINC001289739438 777915652 /nfs/dbraw/zinc/91/56/52/777915652.db2.gz IPGGROGBRSHBGM-ZJUUUORDSA-N 1 1 314.386 -1.863 20 0 DAADMO CN(C[C@H]1CCN1C(=O)C(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001289982174 777916820 /nfs/dbraw/zinc/91/68/20/777916820.db2.gz IPLXKKKITPJVQB-LLVKDONJSA-N 1 1 312.370 -1.747 20 0 DAADMO CN1CC[NH+](CCCNC(=O)c2nccnc2C(N)=O)CC1 ZINC001290270463 777918832 /nfs/dbraw/zinc/91/88/32/777918832.db2.gz BFSBVJBRKZEALS-UHFFFAOYSA-N 1 1 306.370 -1.057 20 0 DAADMO CC(=O)NCC(=O)NCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001292451934 777929470 /nfs/dbraw/zinc/92/94/70/777929470.db2.gz HCWPMQUHFCWTHH-LBPRGKRZSA-N 1 1 324.385 -1.818 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cccc(=O)[nH]2)C1 ZINC001292607554 777937129 /nfs/dbraw/zinc/93/71/29/777937129.db2.gz KNBNFHTZZCEJQI-NSHDSACASA-N 1 1 308.338 -1.036 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2cccc(=O)[nH]2)C1 ZINC001292607554 777937138 /nfs/dbraw/zinc/93/71/38/777937138.db2.gz KNBNFHTZZCEJQI-NSHDSACASA-N 1 1 308.338 -1.036 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)NC1=O ZINC001292608931 777937350 /nfs/dbraw/zinc/93/73/50/777937350.db2.gz SUXOZVINAPKAGM-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CN1C[C@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)NC1=O ZINC001292608931 777937352 /nfs/dbraw/zinc/93/73/52/777937352.db2.gz SUXOZVINAPKAGM-NXEZZACHSA-N 1 1 313.358 -2.427 20 0 DAADMO CNC(=O)C1(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001292608380 777937443 /nfs/dbraw/zinc/93/74/43/777937443.db2.gz PNHQAZSKNMBWDU-JTQLQIEISA-N 1 1 312.370 -1.924 20 0 DAADMO CNC(=O)C1(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001292608380 777937446 /nfs/dbraw/zinc/93/74/46/777937446.db2.gz PNHQAZSKNMBWDU-JTQLQIEISA-N 1 1 312.370 -1.924 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001292608252 777937575 /nfs/dbraw/zinc/93/75/75/777937575.db2.gz NPNIEMCWBOMXEU-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CCS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001292608252 777937578 /nfs/dbraw/zinc/93/75/78/777937578.db2.gz NPNIEMCWBOMXEU-JTQLQIEISA-N 1 1 321.399 -2.016 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCNC(=O)CC(N)=O)C1 ZINC001292598477 777937594 /nfs/dbraw/zinc/93/75/94/777937594.db2.gz JTHJNAKWBNZNQG-JTQLQIEISA-N 1 1 300.359 -1.797 20 0 DAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1nnc(N)n1 ZINC001292636452 777938249 /nfs/dbraw/zinc/93/82/49/777938249.db2.gz UXURDNXNOGDWPI-SNVBAGLBSA-N 1 1 324.389 -1.686 20 0 DAADMO Cn1cncc1CCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001292609017 777938660 /nfs/dbraw/zinc/93/86/60/777938660.db2.gz VCNKQXARTVGNNF-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO Cn1cncc1CCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001292609017 777938665 /nfs/dbraw/zinc/93/86/65/777938665.db2.gz VCNKQXARTVGNNF-ZDUSSCGKSA-N 1 1 323.397 -1.084 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C2(NC(N)=O)CC2)C1 ZINC001292608989 777938952 /nfs/dbraw/zinc/93/89/52/777938952.db2.gz ULEPMXUYYSNUSW-VIFPVBQESA-N 1 1 313.358 -2.250 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCNC(=O)C2(NC(N)=O)CC2)C1 ZINC001292608989 777938956 /nfs/dbraw/zinc/93/89/56/777938956.db2.gz ULEPMXUYYSNUSW-VIFPVBQESA-N 1 1 313.358 -2.250 20 0 DAADMO C[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1)N1CCOCC1 ZINC001292764293 777947240 /nfs/dbraw/zinc/94/72/40/777947240.db2.gz BWUJBNUVFAVMEI-STQMWFEESA-N 1 1 312.414 -1.109 20 0 DAADMO Cn1ncc(CCC(=O)NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001292766809 777947332 /nfs/dbraw/zinc/94/73/32/777947332.db2.gz HBAXGPVGXMIEHF-LLVKDONJSA-N 1 1 308.386 -1.068 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nonc2C)C1 ZINC001292817238 777949436 /nfs/dbraw/zinc/94/94/36/777949436.db2.gz ZQPQFLXTSRCPDJ-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NCCNC(=O)c2nonc2C)C1 ZINC001292817238 777949441 /nfs/dbraw/zinc/94/94/41/777949441.db2.gz ZQPQFLXTSRCPDJ-JTQLQIEISA-N 1 1 311.342 -1.055 20 0 DAADMO O=C(CC[NH+]1CCOCC1)NCCNC(=O)[C@@H]1CCNC1=O ZINC001292983626 777957324 /nfs/dbraw/zinc/95/73/24/777957324.db2.gz XKRBOZUCYJFQGS-LLVKDONJSA-N 1 1 312.370 -1.923 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC(=O)NC1=O ZINC001293041037 777960515 /nfs/dbraw/zinc/96/05/15/777960515.db2.gz YFUCFPAPISMSJV-SECBINFHSA-N 1 1 311.342 -2.135 20 0 DAADMO C[C@H]1C[C@@H](C(=O)NCCNC(=O)c2nnn(C)n2)CC[N@H+]1C ZINC001293049160 777960592 /nfs/dbraw/zinc/96/05/92/777960592.db2.gz JAGLYVBSGMSJMV-UWVGGRQHSA-N 1 1 309.374 -1.214 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)CN2C(=O)CCC2=O)C1 ZINC001293309213 777966921 /nfs/dbraw/zinc/96/69/21/777966921.db2.gz JSNIRFLNVZHFSO-LLVKDONJSA-N 1 1 324.381 -1.290 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)CCS(C)(=O)=O)C1 ZINC001293333360 777968235 /nfs/dbraw/zinc/96/82/35/777968235.db2.gz MUYJELPBVJCPBV-NSHDSACASA-N 1 1 319.427 -1.005 20 0 DAADMO Cn1cnn(CC(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1=O ZINC001293334081 777968610 /nfs/dbraw/zinc/96/86/10/777968610.db2.gz QBWPQOWUOZIYOY-NSHDSACASA-N 1 1 324.385 -1.844 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCCNC(=O)[C@H]1CCNC1=O ZINC001293338592 777968813 /nfs/dbraw/zinc/96/88/13/777968813.db2.gz UPUVZQXPSCXKGT-LLVKDONJSA-N 1 1 307.354 -1.050 20 0 DAADMO CN(CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001293994742 777977433 /nfs/dbraw/zinc/97/74/33/777977433.db2.gz HCZGKHCBUQKOEN-WDEREUQCSA-N 1 1 311.386 -1.273 20 0 DAADMO CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001293994741 777977828 /nfs/dbraw/zinc/97/78/28/777977828.db2.gz HCZGKHCBUQKOEN-QWRGUYRKSA-N 1 1 311.386 -1.273 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001294771510 777990171 /nfs/dbraw/zinc/99/01/71/777990171.db2.gz MMQAWCVTNWPCAN-SNVBAGLBSA-N 1 1 310.358 -1.286 20 0 DAADMO NC(=O)C(=O)NC[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001294929236 777992471 /nfs/dbraw/zinc/99/24/71/777992471.db2.gz IHFRMMXXWILCPT-NSHDSACASA-N 1 1 312.370 -1.795 20 0 DAADMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1C(=O)CCC1=O ZINC001295496390 778004565 /nfs/dbraw/zinc/00/45/65/778004565.db2.gz GVMAGZJGBXMSPX-MNOVXSKESA-N 1 1 324.381 -1.292 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001295731619 778013109 /nfs/dbraw/zinc/01/31/09/778013109.db2.gz JGUNNADRGSPVQM-NSHDSACASA-N 1 1 312.370 -1.841 20 0 DAADMO CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001296113656 778018772 /nfs/dbraw/zinc/01/87/72/778018772.db2.gz JATOANHDLIGHJJ-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CN(CCNC(=O)C(C)(C)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001296113656 778018785 /nfs/dbraw/zinc/01/87/85/778018785.db2.gz JATOANHDLIGHJJ-JTQLQIEISA-N 1 1 314.386 -1.597 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)CC(=O)NC ZINC001296280958 778022962 /nfs/dbraw/zinc/02/29/62/778022962.db2.gz ACYLIKLECMRQEU-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)CC(=O)NC ZINC001296280958 778022972 /nfs/dbraw/zinc/02/29/72/778022972.db2.gz ACYLIKLECMRQEU-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001297578220 778049131 /nfs/dbraw/zinc/04/91/31/778049131.db2.gz ZEAVNLKLIPFJQT-KOLCDFICSA-N 1 1 308.404 -2.046 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001297578222 778049709 /nfs/dbraw/zinc/04/97/09/778049709.db2.gz ZEAVNLKLIPFJQT-MWLCHTKSSA-N 1 1 308.404 -2.046 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001298149155 778060160 /nfs/dbraw/zinc/06/01/60/778060160.db2.gz PFDOPFGFFYFVNS-QWHCGFSZSA-N 1 1 322.365 -1.379 20 0 DAADMO C[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O)C1CCC1 ZINC001298163765 778060996 /nfs/dbraw/zinc/06/09/96/778060996.db2.gz MGFBTGBVWMOFKV-JTQLQIEISA-N 1 1 300.359 -2.061 20 0 DAADMO CC1(C)CC[N@@H+](CC(=O)NC[C@@H](O)CNC(=O)CC(N)=O)C1 ZINC001298165445 778062244 /nfs/dbraw/zinc/06/22/44/778062244.db2.gz VNSIKWSFEOERMC-JTQLQIEISA-N 1 1 314.386 -1.813 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)C2 ZINC001298205335 778068708 /nfs/dbraw/zinc/06/87/08/778068708.db2.gz RPDBKMQPFSPDJV-GXSJLCMTSA-N 1 1 323.353 -2.167 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNC(=O)CCNC(N)=O ZINC001298310201 778070915 /nfs/dbraw/zinc/07/09/15/778070915.db2.gz FRLYZQQGESZVQO-VUDBWIFFSA-N 1 1 311.386 -1.072 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CS(C)(=O)=O ZINC001298293081 778071000 /nfs/dbraw/zinc/07/10/00/778071000.db2.gz PINUVQSZSHDXQE-DLRQAJBASA-N 1 1 317.411 -1.086 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CN1CN=NC1=O ZINC001298313064 778071239 /nfs/dbraw/zinc/07/12/39/778071239.db2.gz SLHYCWUGXOULEU-KXMPLOMGSA-N 1 1 322.369 -1.134 20 0 DAADMO CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001298321204 778072480 /nfs/dbraw/zinc/07/24/80/778072480.db2.gz RFGCBIWTJUVARA-BYCRGOAPSA-N 1 1 312.370 -1.629 20 0 DAADMO CC[N@H+]1CCO[C@H](C(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001298321204 778072493 /nfs/dbraw/zinc/07/24/93/778072493.db2.gz RFGCBIWTJUVARA-BYCRGOAPSA-N 1 1 312.370 -1.629 20 0 DAADMO CNC(=O)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001298332175 778072649 /nfs/dbraw/zinc/07/26/49/778072649.db2.gz DOFVDGAEXRUMDF-UFFNRZRYSA-N 1 1 312.370 -1.758 20 0 DAADMO CNC(=O)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001298332175 778072658 /nfs/dbraw/zinc/07/26/58/778072658.db2.gz DOFVDGAEXRUMDF-UFFNRZRYSA-N 1 1 312.370 -1.758 20 0 DAADMO CNC(=O)CC(=O)NC/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001298332168 778072837 /nfs/dbraw/zinc/07/28/37/778072837.db2.gz DOFVDGAEXRUMDF-BYCRGOAPSA-N 1 1 312.370 -1.758 20 0 DAADMO CNC(=O)CC(=O)NC/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001298332168 778072848 /nfs/dbraw/zinc/07/28/48/778072848.db2.gz DOFVDGAEXRUMDF-BYCRGOAPSA-N 1 1 312.370 -1.758 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNC(=O)Cn1ncnn1 ZINC001298420476 778075021 /nfs/dbraw/zinc/07/50/21/778075021.db2.gz XKZFVYPANPCPID-VSQXVHSFSA-N 1 1 321.385 -1.054 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)Cn1ncnn1 ZINC001298420295 778075480 /nfs/dbraw/zinc/07/54/80/778075480.db2.gz WBSGIAYKFHPIRU-OTDNITJGSA-N 1 1 307.358 -1.444 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001298781879 778085148 /nfs/dbraw/zinc/08/51/48/778085148.db2.gz YQEWDEGSTMBKBP-GXSJLCMTSA-N 1 1 307.354 -1.051 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001298838395 778087671 /nfs/dbraw/zinc/08/76/71/778087671.db2.gz GJNLXJGGYNYPDV-GARJFASQSA-N 1 1 324.381 -1.246 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001301605780 778094754 /nfs/dbraw/zinc/09/47/54/778094754.db2.gz YRXATUUXBFFSNM-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO CC(=O)NCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001301605780 778094764 /nfs/dbraw/zinc/09/47/64/778094764.db2.gz YRXATUUXBFFSNM-LBPRGKRZSA-N 1 1 314.386 -1.846 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302503829 778096547 /nfs/dbraw/zinc/09/65/47/778096547.db2.gz NINFZALSCZTZBL-QPUJVOFHSA-N 1 1 300.315 -2.558 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNC(=O)c1cnccn1 ZINC001302792671 778096969 /nfs/dbraw/zinc/09/69/69/778096969.db2.gz DPQKZMRWHHBPDA-QMTHXVAHSA-N 1 1 307.354 -1.222 20 0 DAADMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC([NH2+]C3COC3)C2)C1=O ZINC001304207791 778098737 /nfs/dbraw/zinc/09/87/37/778098737.db2.gz FWHOUIDNOUEZET-HNNXBMFYSA-N 1 1 322.365 -1.094 20 0 DAADMO C[N@@H+](CCO)CCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC001303626163 778099949 /nfs/dbraw/zinc/09/99/49/778099949.db2.gz UZUWKSWFCWHNNS-CQSZACIVSA-N 1 1 312.370 -1.253 20 0 DAADMO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC(=O)N1CCCC1 ZINC001307786053 778102007 /nfs/dbraw/zinc/10/20/07/778102007.db2.gz SOYQMMXLOLAYQD-AOOOYVTPSA-N 1 1 308.338 -2.071 20 0 DAADMO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)NCC(=O)N1CCCC1 ZINC001307786053 778102009 /nfs/dbraw/zinc/10/20/09/778102009.db2.gz SOYQMMXLOLAYQD-AOOOYVTPSA-N 1 1 308.338 -2.071 20 0 DAADMO C[NH+]1CCN(CC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001306836585 778102015 /nfs/dbraw/zinc/10/20/15/778102015.db2.gz PULPHJVIMKEHFD-CQSZACIVSA-N 1 1 309.370 -1.566 20 0 DAADMO C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001307461471 778102174 /nfs/dbraw/zinc/10/21/74/778102174.db2.gz NFHDCYALDYOESW-GHMZBOCLSA-N 1 1 313.354 -1.979 20 0 DAADMO CCN1C(=O)[C@H]2C[N@H+](Cc3cn(CC(N)=O)nn3)CCN2C1=O ZINC001308577061 778103388 /nfs/dbraw/zinc/10/33/88/778103388.db2.gz NBODGMVTGOTCRH-SNVBAGLBSA-N 1 1 321.341 -1.768 20 0 DAADMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cn(CC(N)=O)nn3)CCN2C1=O ZINC001308577061 778103391 /nfs/dbraw/zinc/10/33/91/778103391.db2.gz NBODGMVTGOTCRH-SNVBAGLBSA-N 1 1 321.341 -1.768 20 0 DAADMO O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1COC[C@H]1O ZINC001309226641 778103546 /nfs/dbraw/zinc/10/35/46/778103546.db2.gz QGDBNZBFYOLQLZ-JHJVBQTASA-N 1 1 322.427 -1.098 20 0 DAADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCOC[C@H]1CCO ZINC001119758879 779511698 /nfs/dbraw/zinc/51/16/98/779511698.db2.gz JYYSHWPXZFVWGQ-DGCLKSJQSA-N 1 1 311.382 -1.051 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001119832482 779513052 /nfs/dbraw/zinc/51/30/52/779513052.db2.gz HXBOKUGUDJVMRL-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001119832482 779513057 /nfs/dbraw/zinc/51/30/57/779513057.db2.gz HXBOKUGUDJVMRL-QJPTWQEYSA-N 1 1 308.382 -1.066 20 0 DAADMO COC1(OC)CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C[C@H]1O ZINC001119827032 779513351 /nfs/dbraw/zinc/51/33/51/779513351.db2.gz VMGNHUPVJWJEQA-NXEZZACHSA-N 1 1 301.343 -1.018 20 0 DAADMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001119884674 779514275 /nfs/dbraw/zinc/51/42/75/779514275.db2.gz GZALXJHSFVYVQW-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001119884674 779514283 /nfs/dbraw/zinc/51/42/83/779514283.db2.gz GZALXJHSFVYVQW-NXEZZACHSA-N 1 1 318.399 -2.043 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=CC[N@H+](C)CC1 ZINC001119893669 779515327 /nfs/dbraw/zinc/51/53/27/779515327.db2.gz IEBVAJUJKMANEP-KOLCDFICSA-N 1 1 315.395 -1.334 20 0 DAADMO C[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C1=CC[N@@H+](C)CC1 ZINC001119893669 779515329 /nfs/dbraw/zinc/51/53/29/779515329.db2.gz IEBVAJUJKMANEP-KOLCDFICSA-N 1 1 315.395 -1.334 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001120058477 779516236 /nfs/dbraw/zinc/51/62/36/779516236.db2.gz SNLQYTACDGOPDU-PHIMTYICSA-N 1 1 319.431 -1.415 20 0 DAADMO O=C(C(=O)N1CC[C@H](O)[C@@H](F)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001120373933 779518989 /nfs/dbraw/zinc/51/89/89/779518989.db2.gz OIDFFNNKMSGTKH-USZNOCQGSA-N 1 1 315.345 -1.805 20 0 DAADMO O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC=C[C@H]1CO ZINC001120490213 779523068 /nfs/dbraw/zinc/52/30/68/779523068.db2.gz DWIZMKCJKOWWAT-KBPBESRZSA-N 1 1 323.393 -1.074 20 0 DAADMO CCS(=O)(=O)NCCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001120487560 779523651 /nfs/dbraw/zinc/52/36/51/779523651.db2.gz AMTISUXUYXYIMB-ZDUSSCGKSA-N 1 1 322.475 -1.486 20 0 DAADMO Cc1nc(N[C@@H](CO)CNC(=O)Cn2cnnn2)c(C)c(C)[nH+]1 ZINC001121025142 779529549 /nfs/dbraw/zinc/52/95/49/779529549.db2.gz OUPPHJKQMNGTLA-LLVKDONJSA-N 1 1 320.357 -1.022 20 0 DAADMO Cc1nc(N[C@H](CO)CNC(=O)Cn2cnnn2)c(C)c(C)[nH+]1 ZINC001121025143 779529670 /nfs/dbraw/zinc/52/96/70/779529670.db2.gz OUPPHJKQMNGTLA-NSHDSACASA-N 1 1 320.357 -1.022 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001121240968 779534966 /nfs/dbraw/zinc/53/49/66/779534966.db2.gz KYTVBZLJWQLGHL-VHSXEESVSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001121243600 779535973 /nfs/dbraw/zinc/53/59/73/779535973.db2.gz VRTCZJLZLJEFIR-UWVGGRQHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250608 779536132 /nfs/dbraw/zinc/53/61/32/779536132.db2.gz PWBWTZPVCNLAHL-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc(F)ncn2)C1 ZINC001121250608 779536141 /nfs/dbraw/zinc/53/61/41/779536141.db2.gz PWBWTZPVCNLAHL-NXEZZACHSA-N 1 1 313.333 -1.165 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001121240967 779536231 /nfs/dbraw/zinc/53/62/31/779536231.db2.gz KYTVBZLJWQLGHL-UWVGGRQHSA-N 1 1 320.357 -1.498 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)Nc2nccn3nnnc23)C1 ZINC001121590604 779545911 /nfs/dbraw/zinc/54/59/11/779545911.db2.gz KDGKQKXGZZXZSP-NXEZZACHSA-N 1 1 320.357 -1.640 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)Nc2ccc3nnnn3n2)C1 ZINC001121591687 779547293 /nfs/dbraw/zinc/54/72/93/779547293.db2.gz UOMQYRSAGGCCLU-NXEZZACHSA-N 1 1 320.357 -1.640 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1ccc2nnnn2n1 ZINC001121888565 779550992 /nfs/dbraw/zinc/55/09/92/779550992.db2.gz VKFPPCRXDJXNJC-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001121933461 779552727 /nfs/dbraw/zinc/55/27/27/779552727.db2.gz RGSHMYADQFAVHR-VXGBXAGGSA-N 1 1 308.382 -1.065 20 0 DAADMO CC[N@@H+](C)CCC(=O)NC[C@@H](CO)Nc1nccn2nnnc12 ZINC001122028026 779553420 /nfs/dbraw/zinc/55/34/20/779553420.db2.gz KANIPCZYTYQNQV-JTQLQIEISA-N 1 1 322.373 -1.250 20 0 DAADMO O=C([C@@H]1CCCNC1=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001121933458 779553504 /nfs/dbraw/zinc/55/35/04/779553504.db2.gz RGSHMYADQFAVHR-NWDGAFQWSA-N 1 1 308.382 -1.065 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)Cn2ncnn2)nc(C)[nH+]1 ZINC001122077747 779555760 /nfs/dbraw/zinc/55/57/60/779555760.db2.gz METPAXMMGNEUEI-JTQLQIEISA-N 1 1 306.330 -1.331 20 0 DAADMO Cc1nc(N[C@@H](CO)CNC(=O)Cn2ncnn2)c(C)c(C)[nH+]1 ZINC001122078030 779555840 /nfs/dbraw/zinc/55/58/40/779555840.db2.gz QBYSZUZQEKBAOX-LLVKDONJSA-N 1 1 320.357 -1.022 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)c2nnn(C)n2)nc(C)[nH+]1 ZINC001122334371 779561624 /nfs/dbraw/zinc/56/16/24/779561624.db2.gz SYANJLVMWJJIGF-VIFPVBQESA-N 1 1 306.330 -1.180 20 0 DAADMO Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122436655 779564912 /nfs/dbraw/zinc/56/49/12/779564912.db2.gz GYKPUOXHOKPXPP-VHSXEESVSA-N 1 1 308.342 -1.336 20 0 DAADMO Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)c(C)c(C)[nH+]1 ZINC001122438706 779566115 /nfs/dbraw/zinc/56/61/15/779566115.db2.gz WWLMJRVUVCUPIZ-WDEREUQCSA-N 1 1 322.369 -1.028 20 0 DAADMO CCc1cc(N[C@H](CO)CNC(=O)[C@H]2CNC(=O)N2)nc(C)[nH+]1 ZINC001122438646 779566383 /nfs/dbraw/zinc/56/63/83/779566383.db2.gz VXODCYRISCLDJR-WDEREUQCSA-N 1 1 322.369 -1.082 20 0 DAADMO CNC(=O)NCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C)n1 ZINC001122782770 779573741 /nfs/dbraw/zinc/57/37/41/779573741.db2.gz DKCVOXFLWQYMCR-SNVBAGLBSA-N 1 1 310.358 -1.089 20 0 DAADMO O=C(NCC[NH2+]Cc1nnc2n1CCOC2)C1=COCCO1 ZINC001123019365 779576279 /nfs/dbraw/zinc/57/62/79/779576279.db2.gz FQFSJHHZMLLESP-UHFFFAOYSA-N 1 1 309.326 -1.098 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCC[NH2+]Cc1ncnn1CCF ZINC001123072567 779576804 /nfs/dbraw/zinc/57/68/04/779576804.db2.gz SPEYWQXFPUQJQA-VIFPVBQESA-N 1 1 300.338 -1.022 20 0 DAADMO O=C(Cn1cnnn1)NCC[NH2+]Cc1nnc2n1CCCCC2 ZINC001123313618 779580717 /nfs/dbraw/zinc/58/07/17/779580717.db2.gz SXXAUSXXAYLWAJ-UHFFFAOYSA-N 1 1 319.373 -1.103 20 0 DAADMO COC(=O)NCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001124186658 779593000 /nfs/dbraw/zinc/59/30/00/779593000.db2.gz MYNMXJKEZUKQSL-UHFFFAOYSA-N 1 1 312.330 -1.630 20 0 DAADMO CC(C)(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805506 779602803 /nfs/dbraw/zinc/60/28/03/779602803.db2.gz YOAILLFDAKTWRB-SECBINFHSA-N 1 1 309.374 -1.088 20 0 DAADMO CN1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001125213376 779608219 /nfs/dbraw/zinc/60/82/19/779608219.db2.gz HFVWUXICCLFUDX-NSHDSACASA-N 1 1 324.385 -1.655 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC001139759835 779613105 /nfs/dbraw/zinc/61/31/05/779613105.db2.gz TYFYKGBDSXESNV-OWYVNGRQSA-N 1 1 310.354 -1.358 20 0 DAADMO CNC(=O)C1(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)CC1 ZINC001202918165 779613271 /nfs/dbraw/zinc/61/32/71/779613271.db2.gz ADCXIWOYFVRFDJ-UHFFFAOYSA-N 1 1 321.385 -1.183 20 0 DAADMO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CCCO1 ZINC001149159944 779613317 /nfs/dbraw/zinc/61/33/17/779613317.db2.gz NUSXTUMTHUJFOS-CHWSQXEVSA-N 1 1 324.385 -1.083 20 0 DAADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001141325969 779617188 /nfs/dbraw/zinc/61/71/88/779617188.db2.gz BAXYHNLZAIAWII-NOZJJQNGSA-N 1 1 310.354 -1.358 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001142078185 779619263 /nfs/dbraw/zinc/61/92/63/779619263.db2.gz TYFOJLBLEKMUTP-GFCCVEGCSA-N 1 1 324.385 -1.006 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCCCn2cc(C(N)=O)nn2)C1 ZINC001142078185 779619267 /nfs/dbraw/zinc/61/92/67/779619267.db2.gz TYFOJLBLEKMUTP-GFCCVEGCSA-N 1 1 324.385 -1.006 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3sccc3C2)[C@@H]2NCN[C@H]21 ZINC001142227618 779620242 /nfs/dbraw/zinc/62/02/42/779620242.db2.gz ZREXXIDAZCQTJO-MJBXVCDLSA-N 1 1 322.438 -1.375 20 0 DAADMO C[NH+]1CCN(c2ncc(NC(=O)Cn3cnnn3)cn2)CC1 ZINC001142133592 779620896 /nfs/dbraw/zinc/62/08/96/779620896.db2.gz HBDWJUDOSIHKDY-UHFFFAOYSA-N 1 1 303.330 -1.146 20 0 DAADMO Cc1cn(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(=O)[nH]c1=O ZINC001142322141 779621547 /nfs/dbraw/zinc/62/15/47/779621547.db2.gz PLHYYSAJVBOWRV-GUBZILKMSA-N 1 1 309.330 -3.224 20 0 DAADMO Cc1cn(CC(=O)NCC[NH+]2CC3(COC3)C2)c(=O)[nH]c1=O ZINC001142321086 779622146 /nfs/dbraw/zinc/62/21/46/779622146.db2.gz FSTVNCCKDGLVGW-UHFFFAOYSA-N 1 1 308.338 -1.294 20 0 DAADMO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001143032388 779625888 /nfs/dbraw/zinc/62/58/88/779625888.db2.gz SUDJBTKRRXVSLY-YUTCNCBUSA-N 1 1 311.382 -1.100 20 0 DAADMO CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001143038246 779626007 /nfs/dbraw/zinc/62/60/07/779626007.db2.gz PQLXHDXNRSVJOT-KGLIPLIRSA-N 1 1 312.414 -1.278 20 0 DAADMO CN(C)S(=O)(=O)CCNC(=O)CCN1CC[NH+](C)CC1 ZINC001143236202 779626658 /nfs/dbraw/zinc/62/66/58/779626658.db2.gz BEVRUGCERLRFSX-UHFFFAOYSA-N 1 1 306.432 -1.369 20 0 DAADMO COC(=O)CC[C@H](NC(=O)CCN1CC[NH+](C)CC1)C(N)=O ZINC001143237366 779627272 /nfs/dbraw/zinc/62/72/72/779627272.db2.gz LUPOOBUDQAMPTA-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO C[C@H](OCC(=O)NCC[NH2+]Cc1nnnn1C)c1nccn1C ZINC001149288103 779628055 /nfs/dbraw/zinc/62/80/55/779628055.db2.gz WYUSCUTUWUBNIJ-JTQLQIEISA-N 1 1 322.373 -1.073 20 0 DAADMO Cc1c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc2ccccn12 ZINC001149275606 779628273 /nfs/dbraw/zinc/62/82/73/779628273.db2.gz ADWSSMBPUOGNAZ-AVGNSLFASA-N 1 1 301.354 -1.225 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC(=O)N1C)c1nnnn1C ZINC001149463418 779631555 /nfs/dbraw/zinc/63/15/55/779631555.db2.gz AQZLMUUTXGNDNX-VHSXEESVSA-N 1 1 309.374 -1.012 20 0 DAADMO NC(=O)CC(=O)NC[C@H]1C[N@@H+](CCn2cccn2)CCCO1 ZINC001149482649 779632582 /nfs/dbraw/zinc/63/25/82/779632582.db2.gz SXGUGOMMDUCFFT-LBPRGKRZSA-N 1 1 309.370 -1.034 20 0 DAADMO CNC(=O)c1cccc(C(=O)NCC[NH2+]Cc2nnnn2C)n1 ZINC001149470412 779632891 /nfs/dbraw/zinc/63/28/91/779632891.db2.gz ZLKKHVUJNPAQCB-UHFFFAOYSA-N 1 1 318.341 -1.516 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149465553 779632916 /nfs/dbraw/zinc/63/29/16/779632916.db2.gz DLAXMFIYHSZSJA-LLVKDONJSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149465553 779632920 /nfs/dbraw/zinc/63/29/20/779632920.db2.gz DLAXMFIYHSZSJA-LLVKDONJSA-N 1 1 314.386 -1.407 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)c2nncn2C)C1 ZINC001149530126 779633712 /nfs/dbraw/zinc/63/37/12/779633712.db2.gz GPOZSKKZQPBZMB-JQWIXIFHSA-N 1 1 324.385 -1.171 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149490683 779634091 /nfs/dbraw/zinc/63/40/91/779634091.db2.gz UVHZCEJTNLYAAN-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@H+]1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149490683 779634095 /nfs/dbraw/zinc/63/40/95/779634095.db2.gz UVHZCEJTNLYAAN-GHMZBOCLSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N1CCO[C@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001149547132 779635081 /nfs/dbraw/zinc/63/50/81/779635081.db2.gz ZHEIUWRVQWYXCS-NSHDSACASA-N 1 1 310.358 -1.732 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2ncnn2C)c(=O)n1C ZINC001149576506 779635488 /nfs/dbraw/zinc/63/54/88/779635488.db2.gz FXUDOTOGWBKHTM-UHFFFAOYSA-N 1 1 308.346 -2.075 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149546646 779635917 /nfs/dbraw/zinc/63/59/17/779635917.db2.gz QZSFPHUULXLIFX-GFCCVEGCSA-N 1 1 324.385 -1.249 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149573650 779635973 /nfs/dbraw/zinc/63/59/73/779635973.db2.gz OHPNQEOSPBUPDG-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO CCNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149573650 779635976 /nfs/dbraw/zinc/63/59/76/779635976.db2.gz OHPNQEOSPBUPDG-QWRGUYRKSA-N 1 1 314.386 -1.407 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2nnnn2C)c(=O)n1C ZINC001149571103 779636013 /nfs/dbraw/zinc/63/60/13/779636013.db2.gz OVWHSPPHEBVAMT-UHFFFAOYSA-N 1 1 309.334 -2.680 20 0 DAADMO Cc1nn(CC(=O)NCC[NH2+]Cc2cn(C)nn2)c(=O)n1C ZINC001149577240 779636720 /nfs/dbraw/zinc/63/67/20/779636720.db2.gz WRHAVHOROZHLIZ-UHFFFAOYSA-N 1 1 308.346 -2.075 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)n1 ZINC001149576549 779637439 /nfs/dbraw/zinc/63/74/39/779637439.db2.gz IGBJZMAUIBQDAU-UHFFFAOYSA-N 1 1 322.373 -1.592 20 0 DAADMO COc1cc(C[NH2+]CCNC(=O)Cn2nc(C)n(C)c2=O)on1 ZINC001149576715 779637528 /nfs/dbraw/zinc/63/75/28/779637528.db2.gz LOYISGMYDSZGLH-UHFFFAOYSA-N 1 1 324.341 -1.207 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149599648 779637790 /nfs/dbraw/zinc/63/77/90/779637790.db2.gz KMYKKGDIVAVUNU-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO CNC(=O)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CCCO1 ZINC001149599648 779637795 /nfs/dbraw/zinc/63/77/95/779637795.db2.gz KMYKKGDIVAVUNU-VHSXEESVSA-N 1 1 300.359 -1.797 20 0 DAADMO Cc1cc(C)n2ncc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)c2n1 ZINC001149591239 779637824 /nfs/dbraw/zinc/63/78/24/779637824.db2.gz NIYHNQFHPGUGBP-GMXVVIOVSA-N 1 1 316.369 -1.521 20 0 DAADMO O=C(CN1CCOCC1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149579540 779637853 /nfs/dbraw/zinc/63/78/53/779637853.db2.gz GXQKORBSDCXFDX-ZDUSSCGKSA-N 1 1 301.387 -1.482 20 0 DAADMO Cc1cc2nnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c(C)n2n1 ZINC001149625557 779638254 /nfs/dbraw/zinc/63/82/54/779638254.db2.gz PUDMUALXDHRAHQ-WOPDTQHZSA-N 1 1 317.357 -2.126 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149615928 779638860 /nfs/dbraw/zinc/63/88/60/779638860.db2.gz TWJKEDXCPAHBOI-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC(=O)NC)C1 ZINC001149615928 779638863 /nfs/dbraw/zinc/63/88/63/779638863.db2.gz TWJKEDXCPAHBOI-LLVKDONJSA-N 1 1 314.386 -1.534 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001149599691 779638973 /nfs/dbraw/zinc/63/89/73/779638973.db2.gz LJRCTRKUPBJXKP-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)CC(=O)NC[C@H]1C[N@H+]([C@H](C)C(=O)NC)CCCO1 ZINC001149599691 779638980 /nfs/dbraw/zinc/63/89/80/779638980.db2.gz LJRCTRKUPBJXKP-MNOVXSKESA-N 1 1 314.386 -1.536 20 0 DAADMO CNc1ccc2ncc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n2n1 ZINC001149640842 779639593 /nfs/dbraw/zinc/63/95/93/779639593.db2.gz CPTQMBKIACEMMY-GRYCIOLGSA-N 1 1 317.357 -2.096 20 0 DAADMO CCOCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740410 779640695 /nfs/dbraw/zinc/64/06/95/779640695.db2.gz XSCWWEYEKOOSTA-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO CNC(=O)NCCC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001149682358 779640801 /nfs/dbraw/zinc/64/08/01/779640801.db2.gz WSYXJIKCZCODPQ-NEPJUHHUSA-N 1 1 316.402 -1.107 20 0 DAADMO CO[C@@H](C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149740619 779641141 /nfs/dbraw/zinc/64/11/41/779641141.db2.gz ZHOYVBKYKCKDJF-NWDGAFQWSA-N 1 1 312.374 -1.085 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804588 779642358 /nfs/dbraw/zinc/64/23/58/779642358.db2.gz RMNAIJAMTMXIPL-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149804588 779642362 /nfs/dbraw/zinc/64/23/62/779642362.db2.gz RMNAIJAMTMXIPL-RYUDHWBXSA-N 1 1 324.385 -1.380 20 0 DAADMO CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795256 779642593 /nfs/dbraw/zinc/64/25/93/779642593.db2.gz ASYFADXDSWRNDY-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149795256 779642599 /nfs/dbraw/zinc/64/25/99/779642599.db2.gz ASYFADXDSWRNDY-LBPRGKRZSA-N 1 1 324.385 -1.379 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795556 779642617 /nfs/dbraw/zinc/64/26/17/779642617.db2.gz DARIPZOPVPHBFL-WDEREUQCSA-N 1 1 310.358 -1.641 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149795556 779642625 /nfs/dbraw/zinc/64/26/25/779642625.db2.gz DARIPZOPVPHBFL-WDEREUQCSA-N 1 1 310.358 -1.641 20 0 DAADMO COCC(=O)NCCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149803964 779643013 /nfs/dbraw/zinc/64/30/13/779643013.db2.gz HKZSOTBUYFCBMO-LBPRGKRZSA-N 1 1 317.386 -1.662 20 0 DAADMO O=C(CN1CCOCC1=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149842286 779643064 /nfs/dbraw/zinc/64/30/64/779643064.db2.gz RAATXVGRYHDLKT-LBPRGKRZSA-N 1 1 315.370 -1.955 20 0 DAADMO COCC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149803631 779643293 /nfs/dbraw/zinc/64/32/93/779643293.db2.gz BHFJHXFFXFWHLW-LBPRGKRZSA-N 1 1 317.386 -1.709 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149804598 779643350 /nfs/dbraw/zinc/64/33/50/779643350.db2.gz RUYCQMMONKRRQM-LLVKDONJSA-N 1 1 323.415 -1.875 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149914521 779644319 /nfs/dbraw/zinc/64/43/19/779644319.db2.gz AVTWRBSOJXKMOJ-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1cnn(CC(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)c1=O ZINC001149920993 779645523 /nfs/dbraw/zinc/64/55/23/779645523.db2.gz GIZJRWOGVLCKJA-NSHDSACASA-N 1 1 313.358 -2.219 20 0 DAADMO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C(=O)NCC(F)F)C1 ZINC001149930708 779645964 /nfs/dbraw/zinc/64/59/64/779645964.db2.gz RTVIPKPCYGLPJE-VHSXEESVSA-N 1 1 323.340 -1.044 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CN2C(=O)NC(C)(C)C2=O)nn1 ZINC001149925096 779646041 /nfs/dbraw/zinc/64/60/41/779646041.db2.gz PMCDRYWAEOSYIQ-UHFFFAOYSA-N 1 1 323.357 -1.649 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CCC(=O)N1CCOCC1 ZINC001150052293 779648127 /nfs/dbraw/zinc/64/81/27/779648127.db2.gz WBERHTLMYVFSBE-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(=O)n(C)n2)CC1 ZINC000046448670 779648249 /nfs/dbraw/zinc/64/82/49/779648249.db2.gz JSRWARSUACWHHK-UHFFFAOYSA-N 1 1 307.354 -1.280 20 0 DAADMO CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001150195336 779649225 /nfs/dbraw/zinc/64/92/25/779649225.db2.gz YJVAZQBHMAPOFJ-NWDGAFQWSA-N 1 1 314.386 -1.089 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212901 779649243 /nfs/dbraw/zinc/64/92/43/779649243.db2.gz UEPBNJAWFIICQL-SNVBAGLBSA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212901 779649247 /nfs/dbraw/zinc/64/92/47/779649247.db2.gz UEPBNJAWFIICQL-SNVBAGLBSA-N 1 1 300.359 -1.797 20 0 DAADMO Cn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)cc1=O ZINC001150212565 779649361 /nfs/dbraw/zinc/64/93/61/779649361.db2.gz RTLCJCZLLJXYTF-LBPRGKRZSA-N 1 1 322.365 -1.422 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCCO1 ZINC001150211682 779649410 /nfs/dbraw/zinc/64/94/10/779649410.db2.gz KKNIRKXZNCSLPQ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCCO1 ZINC001150211682 779649414 /nfs/dbraw/zinc/64/94/14/779649414.db2.gz KKNIRKXZNCSLPQ-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO CCn1nnc(C)c1C[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212158 779649448 /nfs/dbraw/zinc/64/94/48/779649448.db2.gz PAPYAQZXKOIMBE-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO CCn1nnc(C)c1C[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150212158 779649452 /nfs/dbraw/zinc/64/94/52/779649452.db2.gz PAPYAQZXKOIMBE-LLVKDONJSA-N 1 1 324.385 -1.201 20 0 DAADMO CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001150195337 779649595 /nfs/dbraw/zinc/64/95/95/779649595.db2.gz YJVAZQBHMAPOFJ-RYUDHWBXSA-N 1 1 314.386 -1.089 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212900 779649923 /nfs/dbraw/zinc/64/99/23/779649923.db2.gz UEPBNJAWFIICQL-JTQLQIEISA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150212900 779649926 /nfs/dbraw/zinc/64/99/26/779649926.db2.gz UEPBNJAWFIICQL-JTQLQIEISA-N 1 1 300.359 -1.797 20 0 DAADMO CC(C)(C)NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150201739 779649945 /nfs/dbraw/zinc/64/99/45/779649945.db2.gz AIPJBORJRVKLHR-JTQLQIEISA-N 1 1 314.386 -1.407 20 0 DAADMO CC(C)(C)NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150201739 779649951 /nfs/dbraw/zinc/64/99/51/779649951.db2.gz AIPJBORJRVKLHR-JTQLQIEISA-N 1 1 314.386 -1.407 20 0 DAADMO NC(=O)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)CCCO1 ZINC001150220288 779650465 /nfs/dbraw/zinc/65/04/65/779650465.db2.gz VCADPUQCGWDLGK-LLVKDONJSA-N 1 1 312.370 -1.699 20 0 DAADMO Cc1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)ncn1 ZINC001150220311 779650558 /nfs/dbraw/zinc/65/05/58/779650558.db2.gz VTBGMJWAKYTUBM-LBPRGKRZSA-N 1 1 307.354 -1.023 20 0 DAADMO Cc1cc(C[N@H+]2CCCO[C@@H](CNC(=O)C(N)=O)C2)ncn1 ZINC001150220311 779650562 /nfs/dbraw/zinc/65/05/62/779650562.db2.gz VTBGMJWAKYTUBM-LBPRGKRZSA-N 1 1 307.354 -1.023 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232140 779650605 /nfs/dbraw/zinc/65/06/05/779650605.db2.gz ABPMHYLQKRLXJC-JGVFFNPUSA-N 1 1 315.330 -2.738 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232140 779650608 /nfs/dbraw/zinc/65/06/08/779650608.db2.gz ABPMHYLQKRLXJC-JGVFFNPUSA-N 1 1 315.330 -2.738 20 0 DAADMO COCCOCC[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150220296 779650685 /nfs/dbraw/zinc/65/06/85/779650685.db2.gz VINPCTIMZCIDHA-LLVKDONJSA-N 1 1 303.359 -1.658 20 0 DAADMO NC(=O)C(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCCO1 ZINC001150220582 779650888 /nfs/dbraw/zinc/65/08/88/779650888.db2.gz XTHHOZYZTUGYAN-QWRGUYRKSA-N 1 1 322.369 -1.542 20 0 DAADMO CN1CCC[C@H]([N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001150220237 779650928 /nfs/dbraw/zinc/65/09/28/779650928.db2.gz UAHOLGABKPZDBV-MNOVXSKESA-N 1 1 312.370 -1.700 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218640 779650935 /nfs/dbraw/zinc/65/09/35/779650935.db2.gz IIAJIVLZJIDATI-SECBINFHSA-N 1 1 322.387 -2.772 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218640 779650938 /nfs/dbraw/zinc/65/09/38/779650938.db2.gz IIAJIVLZJIDATI-SECBINFHSA-N 1 1 322.387 -2.772 20 0 DAADMO Cn1cc(CC[N@H+]2CCCO[C@H](CNC(=O)C(N)=O)C2)cn1 ZINC001150220234 779650993 /nfs/dbraw/zinc/65/09/93/779650993.db2.gz UADODSLILRANDN-GFCCVEGCSA-N 1 1 309.370 -1.345 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150232466 779651146 /nfs/dbraw/zinc/65/11/46/779651146.db2.gz FKACPZZEKOBEMW-MNOVXSKESA-N 1 1 314.386 -1.277 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001206633058 779652261 /nfs/dbraw/zinc/65/22/61/779652261.db2.gz ZJQZZGQRQPHAOO-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2ncnn2C)C1=O ZINC001150331396 779653272 /nfs/dbraw/zinc/65/32/72/779653272.db2.gz JALGFTZBUCNAQJ-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)CN2C(=O)CNC2=O)n1 ZINC001150338757 779653851 /nfs/dbraw/zinc/65/38/51/779653851.db2.gz BVVPIINIYMYGPL-UHFFFAOYSA-N 1 1 323.357 -1.636 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001150332604 779653894 /nfs/dbraw/zinc/65/38/94/779653894.db2.gz WUWWYZXKKZGOQM-UHFFFAOYSA-N 1 1 321.341 -1.560 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CN1C(=O)CNC1=O ZINC001150349770 779654464 /nfs/dbraw/zinc/65/44/64/779654464.db2.gz FKYSOYCLQHIQFE-UHFFFAOYSA-N 1 1 323.357 -1.554 20 0 DAADMO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001150349976 779654867 /nfs/dbraw/zinc/65/48/67/779654867.db2.gz PESOLUFSRPSUKS-UHFFFAOYSA-N 1 1 322.329 -2.234 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150380323 779656190 /nfs/dbraw/zinc/65/61/90/779656190.db2.gz ROBPKWQAHWJMSC-WDEREUQCSA-N 1 1 323.415 -1.877 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150380320 779656882 /nfs/dbraw/zinc/65/68/82/779656882.db2.gz ROBPKWQAHWJMSC-GHMZBOCLSA-N 1 1 323.415 -1.877 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150398678 779656927 /nfs/dbraw/zinc/65/69/27/779656927.db2.gz AARDPBBDDCOBGB-MRVPVSSYSA-N 1 1 309.330 -1.991 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cnns1 ZINC001150401761 779657702 /nfs/dbraw/zinc/65/77/02/779657702.db2.gz ZBXPSXNJKJCJIK-QMMMGPOBSA-N 1 1 312.355 -1.268 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CC[C@H]2NC(=O)NC2=O)nn1 ZINC001150401177 779657997 /nfs/dbraw/zinc/65/79/97/779657997.db2.gz WHDDNXMCXUKMQK-SECBINFHSA-N 1 1 309.330 -1.991 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410150 779658051 /nfs/dbraw/zinc/65/80/51/779658051.db2.gz IMPJYRBQWIOCSN-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001150410150 779658054 /nfs/dbraw/zinc/65/80/54/779658054.db2.gz IMPJYRBQWIOCSN-MNOVXSKESA-N 1 1 314.386 -1.454 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nccnc1C(N)=O)c1nncn1C ZINC001150444748 779658823 /nfs/dbraw/zinc/65/88/23/779658823.db2.gz WVBMIAVGYYHLIK-QMMMGPOBSA-N 1 1 318.341 -1.215 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)c1nccnc1C(N)=O ZINC001150450647 779659048 /nfs/dbraw/zinc/65/90/48/779659048.db2.gz PQEFHWNLSSBQRJ-UHFFFAOYSA-N 1 1 305.302 -2.381 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1nccnc1C(N)=O)c1nnnn1C ZINC001150450119 779659135 /nfs/dbraw/zinc/65/91/35/779659135.db2.gz DMLDBUQBEKTQMH-ZETCQYMHSA-N 1 1 319.329 -1.820 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)n1C ZINC001150472050 779659845 /nfs/dbraw/zinc/65/98/45/779659845.db2.gz CWGKALJWWCWSEN-UHFFFAOYSA-N 1 1 322.369 -1.268 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150453090 779660068 /nfs/dbraw/zinc/66/00/68/779660068.db2.gz ODYBUVNFGPTLFP-JTQLQIEISA-N 1 1 316.333 -1.285 20 0 DAADMO O=C(CN1CC(=O)NC1=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150453090 779660074 /nfs/dbraw/zinc/66/00/74/779660074.db2.gz ODYBUVNFGPTLFP-JTQLQIEISA-N 1 1 316.333 -1.285 20 0 DAADMO CCn1ncc(C[NH2+]CCNC(=O)CN2C(=O)CCC2=O)n1 ZINC001150472379 779660403 /nfs/dbraw/zinc/66/04/03/779660403.db2.gz GGXWYSLXIJRMNF-UHFFFAOYSA-N 1 1 308.342 -1.347 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1C(=O)CCC1=O)c1nncn1C ZINC001150467261 779660419 /nfs/dbraw/zinc/66/04/19/779660419.db2.gz OPDRMPJEHNCTHA-SECBINFHSA-N 1 1 308.342 -1.269 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)CCCN2C(=O)CNC2=O)[nH]1 ZINC001150532928 779662077 /nfs/dbraw/zinc/66/20/77/779662077.db2.gz NMCCSSROTASCOH-UHFFFAOYSA-N 1 1 323.357 -1.349 20 0 DAADMO COCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cnnn2)C1 ZINC001150498519 779662151 /nfs/dbraw/zinc/66/21/51/779662151.db2.gz OHECOMVNGKYXSR-LBPRGKRZSA-N 1 1 312.374 -1.083 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)C2CCN(C(N)=O)CC2)nn1 ZINC001150517079 779662355 /nfs/dbraw/zinc/66/23/55/779662355.db2.gz GCXHXBIMXLUQEA-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cn1ccccc1=O)c1nnnn1C ZINC001150597750 779662844 /nfs/dbraw/zinc/66/28/44/779662844.db2.gz SPLLOAUVGKJHQR-SNVBAGLBSA-N 1 1 305.342 -1.161 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cn1ccccc1=O)c1nnnn1C ZINC001150597747 779663934 /nfs/dbraw/zinc/66/39/34/779663934.db2.gz SPLLOAUVGKJHQR-JTQLQIEISA-N 1 1 305.342 -1.161 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150678706 779664637 /nfs/dbraw/zinc/66/46/37/779664637.db2.gz NAODCYZVNRYROZ-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150678706 779664639 /nfs/dbraw/zinc/66/46/39/779664639.db2.gz NAODCYZVNRYROZ-VXGBXAGGSA-N 1 1 324.385 -1.251 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150698745 779664831 /nfs/dbraw/zinc/66/48/31/779664831.db2.gz AEKSRMPYXYLXRR-RYUDHWBXSA-N 1 1 322.369 -1.626 20 0 DAADMO O=C(Cn1cncn1)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150698745 779664838 /nfs/dbraw/zinc/66/48/38/779664838.db2.gz AEKSRMPYXYLXRR-RYUDHWBXSA-N 1 1 322.369 -1.626 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699823 779665157 /nfs/dbraw/zinc/66/51/57/779665157.db2.gz NYCJXVDRISIDRJ-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699823 779665162 /nfs/dbraw/zinc/66/51/62/779665162.db2.gz NYCJXVDRISIDRJ-LBPRGKRZSA-N 1 1 324.385 -1.427 20 0 DAADMO O=C(CN1C(=O)CCC1=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150686213 779665317 /nfs/dbraw/zinc/66/53/17/779665317.db2.gz XLZQLCUNMCUXEV-LLVKDONJSA-N 1 1 313.354 -1.665 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150678705 779665540 /nfs/dbraw/zinc/66/55/40/779665540.db2.gz NAODCYZVNRYROZ-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150678705 779665545 /nfs/dbraw/zinc/66/55/45/779665545.db2.gz NAODCYZVNRYROZ-RYUDHWBXSA-N 1 1 324.385 -1.251 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150778368 779666187 /nfs/dbraw/zinc/66/61/87/779666187.db2.gz MCRGCDVDIWXZHA-LLVKDONJSA-N 1 1 316.402 -1.107 20 0 DAADMO Cc1cc(C)n2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)nc2n1 ZINC001150721976 779666725 /nfs/dbraw/zinc/66/67/25/779666725.db2.gz RXMYKPFCALYLHD-WCABBAIRSA-N 1 1 317.357 -2.126 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810523 779667028 /nfs/dbraw/zinc/66/70/28/779667028.db2.gz FPPDFDSBXNLTJH-QWRGUYRKSA-N 1 1 314.386 -1.277 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CCCC(N)=O)C1 ZINC001150810523 779667032 /nfs/dbraw/zinc/66/70/32/779667032.db2.gz FPPDFDSBXNLTJH-QWRGUYRKSA-N 1 1 314.386 -1.277 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150977215 779667766 /nfs/dbraw/zinc/66/77/66/779667766.db2.gz BTTFSJKSFKKOIR-UHFFFAOYSA-N 1 1 307.314 -1.866 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001150977162 779667957 /nfs/dbraw/zinc/66/79/57/779667957.db2.gz BERRVAQJBMANPN-UHFFFAOYSA-N 1 1 306.326 -1.261 20 0 DAADMO Cc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cn2c1 ZINC001150893920 779668272 /nfs/dbraw/zinc/66/82/72/779668272.db2.gz ZQZHCTFEMRLSFI-RWMBFGLXSA-N 1 1 301.354 -1.225 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC001150977395 779668431 /nfs/dbraw/zinc/66/84/31/779668431.db2.gz DUZHPKYTEYSZLW-UHFFFAOYSA-N 1 1 307.314 -1.866 20 0 DAADMO C[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1)N1CCOCC1 ZINC001150842483 779668490 /nfs/dbraw/zinc/66/84/90/779668490.db2.gz VVEZYADICYWRAB-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cn(C)c(=O)[nH]c1=O)c1nncn1C ZINC001150983767 779669124 /nfs/dbraw/zinc/66/91/24/779669124.db2.gz DOEHNNNHVDQGEE-MRVPVSSYSA-N 1 1 321.341 -1.305 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CCCC1 ZINC001151101038 779670472 /nfs/dbraw/zinc/67/04/72/779670472.db2.gz JIRCSJBNRVOYBW-UHFFFAOYSA-N 1 1 306.432 -1.273 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H]2NCN[C@@H]21 ZINC001151067730 779670742 /nfs/dbraw/zinc/67/07/42/779670742.db2.gz ZRRIPVOOQGNDBB-IJLUTSLNSA-N 1 1 304.354 -1.591 20 0 DAADMO CNC(=O)Cc1noc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151065196 779671223 /nfs/dbraw/zinc/67/12/23/779671223.db2.gz IBTPFJJEWKQKRO-SNVBAGLBSA-N 1 1 324.385 -1.484 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1)c1nnnn1C ZINC001151173754 779672565 /nfs/dbraw/zinc/67/25/65/779672565.db2.gz JCACBCRKHRCITL-ZETCQYMHSA-N 1 1 306.330 -1.282 20 0 DAADMO Cc1cnc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cnn2c1 ZINC001151148703 779672634 /nfs/dbraw/zinc/67/26/34/779672634.db2.gz OZFUNFPXFMRPPF-JBLDHEPKSA-N 1 1 302.342 -1.830 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001151157373 779672901 /nfs/dbraw/zinc/67/29/01/779672901.db2.gz KQGBCIMICBEUJB-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1c[nH]c(C(N)=O)c1)c1nnnn1C ZINC001151173749 779673212 /nfs/dbraw/zinc/67/32/12/779673212.db2.gz JCACBCRKHRCITL-SSDOTTSWSA-N 1 1 306.330 -1.282 20 0 DAADMO Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)co1 ZINC001151299594 779674080 /nfs/dbraw/zinc/67/40/80/779674080.db2.gz FGYSQIOFLZYUTP-JTQLQIEISA-N 1 1 302.356 -1.119 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151299099 779674615 /nfs/dbraw/zinc/67/46/15/779674615.db2.gz AMMYJTKMZHTTQY-MRVPVSSYSA-N 1 1 302.360 -1.989 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151299100 779674644 /nfs/dbraw/zinc/67/46/44/779674644.db2.gz AMMYJTKMZHTTQY-QMMMGPOBSA-N 1 1 302.360 -1.989 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299073 779674681 /nfs/dbraw/zinc/67/46/81/779674681.db2.gz AFTLNZWOBJTJPE-SNVBAGLBSA-N 1 1 315.399 -1.200 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151307032 779675423 /nfs/dbraw/zinc/67/54/23/779675423.db2.gz XOBHADXBZCWZRI-VIFPVBQESA-N 1 1 302.356 -1.119 20 0 DAADMO CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300151 779675691 /nfs/dbraw/zinc/67/56/91/779675691.db2.gz KHVDSURGIASOOS-SECBINFHSA-N 1 1 316.387 -1.805 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)no1 ZINC001151300699 779675771 /nfs/dbraw/zinc/67/57/71/779675771.db2.gz OGCKQOFATPYZNG-JTQLQIEISA-N 1 1 302.356 -1.119 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H]2NCN[C@@H]21 ZINC001151353730 779676569 /nfs/dbraw/zinc/67/65/69/779676569.db2.gz PPAHVMSRTUJYCK-UPJWGTAASA-N 1 1 318.337 -1.850 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001151379574 779677915 /nfs/dbraw/zinc/67/79/15/779677915.db2.gz KNNZNPXGIQEUSN-ZETCQYMHSA-N 1 1 304.376 -1.571 20 0 DAADMO Cn1cc2ccc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc2n1 ZINC001151521540 779679423 /nfs/dbraw/zinc/67/94/23/779679423.db2.gz DBMHETHDMMGRMK-AVGNSLFASA-N 1 1 301.354 -1.294 20 0 DAADMO CC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)N1CCCC1=O ZINC001151540571 779680054 /nfs/dbraw/zinc/68/00/54/779680054.db2.gz SRIQVRZUSAXZOR-JTQLQIEISA-N 1 1 309.374 -1.183 20 0 DAADMO COc1cc2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)[nH]c2cn1 ZINC001151646406 779680690 /nfs/dbraw/zinc/68/06/90/779680690.db2.gz ORWNWSSSZBRGOB-RWMBFGLXSA-N 1 1 317.353 -1.296 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001151587100 779680704 /nfs/dbraw/zinc/68/07/04/779680704.db2.gz PZBVGBFGENWXFV-LLVKDONJSA-N 1 1 313.383 -1.009 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCS2(=O)=O)nn1 ZINC001151672926 779681258 /nfs/dbraw/zinc/68/12/58/779681258.db2.gz INGNVQWHRCSXAL-JTQLQIEISA-N 1 1 301.372 -1.402 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001151587876 779681281 /nfs/dbraw/zinc/68/12/81/779681281.db2.gz WLKJNOXVSYAVTN-LLVKDONJSA-N 1 1 310.358 -1.434 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001151658727 779681415 /nfs/dbraw/zinc/68/14/15/779681415.db2.gz CUWMQHCRZCVIKL-VIFPVBQESA-N 1 1 321.341 -1.173 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001151705724 779682696 /nfs/dbraw/zinc/68/26/96/779682696.db2.gz BBVVTNGXFYTBOR-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001151705724 779682700 /nfs/dbraw/zinc/68/27/00/779682700.db2.gz BBVVTNGXFYTBOR-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001151735632 779682711 /nfs/dbraw/zinc/68/27/11/779682711.db2.gz JLPJFLAKACHGTE-SNVBAGLBSA-N 1 1 323.353 -1.045 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001151735632 779682712 /nfs/dbraw/zinc/68/27/12/779682712.db2.gz JLPJFLAKACHGTE-SNVBAGLBSA-N 1 1 323.353 -1.045 20 0 DAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001151748547 779683721 /nfs/dbraw/zinc/68/37/21/779683721.db2.gz GWBIGWMOUDREKP-GFCCVEGCSA-N 1 1 323.401 -1.066 20 0 DAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCNCc2nnnn2C2CC2)C1 ZINC001151748547 779683723 /nfs/dbraw/zinc/68/37/23/779683723.db2.gz GWBIGWMOUDREKP-GFCCVEGCSA-N 1 1 323.401 -1.066 20 0 DAADMO CC1(C)NC(=O)N(CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1=O ZINC001151817718 779683798 /nfs/dbraw/zinc/68/37/98/779683798.db2.gz SMWIWFQQANIENK-ZDUSSCGKSA-N 1 1 314.342 -2.216 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151772276 779683941 /nfs/dbraw/zinc/68/39/41/779683941.db2.gz OKFDCEZLKSOVFE-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151772276 779683943 /nfs/dbraw/zinc/68/39/43/779683943.db2.gz OKFDCEZLKSOVFE-SNVBAGLBSA-N 1 1 301.391 -1.040 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778675 779683984 /nfs/dbraw/zinc/68/39/84/779683984.db2.gz XIPTZWINBMXJCU-MRVPVSSYSA-N 1 1 316.362 -2.063 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)CNC(N)=O ZINC001151778675 779683986 /nfs/dbraw/zinc/68/39/86/779683986.db2.gz XIPTZWINBMXJCU-MRVPVSSYSA-N 1 1 316.362 -2.063 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001151997315 779685576 /nfs/dbraw/zinc/68/55/76/779685576.db2.gz TZAYRUBSXOYCNL-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001151997315 779685583 /nfs/dbraw/zinc/68/55/83/779685583.db2.gz TZAYRUBSXOYCNL-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001152097466 779686760 /nfs/dbraw/zinc/68/67/60/779686760.db2.gz NOVFYKXLAQBHFA-UHFFFAOYSA-N 1 1 317.415 -1.093 20 0 DAADMO Cc1nnc2n1C[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)CC2 ZINC001152091743 779686937 /nfs/dbraw/zinc/68/69/37/779686937.db2.gz UGFUFRQVMHOIPA-JTQLQIEISA-N 1 1 319.373 -1.422 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152157567 779688127 /nfs/dbraw/zinc/68/81/27/779688127.db2.gz VRTMZKNRPKVIMD-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCc3nncn3C2)n1 ZINC001152156097 779688435 /nfs/dbraw/zinc/68/84/35/779688435.db2.gz MOMRTLAHBKBOAN-SNVBAGLBSA-N 1 1 304.358 -1.125 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CNC(=O)Cn2cncn2)nn1 ZINC001152254322 779689348 /nfs/dbraw/zinc/68/93/48/779689348.db2.gz FLNIHSQIXIIOEM-UHFFFAOYSA-N 1 1 321.345 -2.571 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254460 779689449 /nfs/dbraw/zinc/68/94/49/779689449.db2.gz MBOBGGRAIFZPMD-UHFFFAOYSA-N 1 1 321.345 -2.571 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152406508 779690752 /nfs/dbraw/zinc/69/07/52/779690752.db2.gz ZMIFCEQGVDPEBU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152406508 779690756 /nfs/dbraw/zinc/69/07/56/779690756.db2.gz ZMIFCEQGVDPEBU-RKDXNWHRSA-N 1 1 313.358 -1.714 20 0 DAADMO Cn1ccc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)n1 ZINC001152410132 779691530 /nfs/dbraw/zinc/69/15/30/779691530.db2.gz VGXVTSBFMRHQHT-UHFFFAOYSA-N 1 1 306.330 -1.984 20 0 DAADMO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cnns2)nn1 ZINC001152414651 779691801 /nfs/dbraw/zinc/69/18/01/779691801.db2.gz HENBDHQYWDWGHU-UHFFFAOYSA-N 1 1 310.343 -1.866 20 0 DAADMO CCn1ccnc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409209 779691864 /nfs/dbraw/zinc/69/18/64/779691864.db2.gz FALOHMFQLOMZPQ-UHFFFAOYSA-N 1 1 320.357 -1.501 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)nn1C ZINC001152414953 779692079 /nfs/dbraw/zinc/69/20/79/779692079.db2.gz QFSLOGKQUJEATK-UHFFFAOYSA-N 1 1 320.357 -1.675 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)c1cn(CC(N)=O)nn1)c1nnnn1C ZINC001152414541 779692173 /nfs/dbraw/zinc/69/21/73/779692173.db2.gz AFJQVVXGOSMIFG-ZETCQYMHSA-N 1 1 322.333 -2.633 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)c2cn(CC(N)=O)nn2)nc1 ZINC001152414721 779692274 /nfs/dbraw/zinc/69/22/74/779692274.db2.gz JSAQHKRBANQYLS-UHFFFAOYSA-N 1 1 318.341 -1.619 20 0 DAADMO Cc1conc1C[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152420670 779692566 /nfs/dbraw/zinc/69/25/66/779692566.db2.gz GUZNSDAKAPAKJI-UHFFFAOYSA-N 1 1 307.314 -1.421 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(=O)cc[nH]c3c2)[C@H]2NCN[C@@H]21 ZINC001152572888 779694522 /nfs/dbraw/zinc/69/45/22/779694522.db2.gz VSZFSTAGLCNXNV-MGPQQGTHSA-N 1 1 314.349 -1.339 20 0 DAADMO Cn1nnc2c(C(=O)N[C@@H](CO)Cc3cnc[nH]3)ncn2c1=O ZINC001152760130 779697611 /nfs/dbraw/zinc/69/76/11/779697611.db2.gz QDODWTAXFUQZRM-MRVPVSSYSA-N 1 1 318.297 -2.121 20 0 DAADMO Cn1nnc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ncn2c1=O ZINC001152762206 779698740 /nfs/dbraw/zinc/69/87/40/779698740.db2.gz PCAUWMVQNKFACR-DTLFHODZSA-N 1 1 320.317 -4.044 20 0 DAADMO CC[N@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926116 779699836 /nfs/dbraw/zinc/69/98/36/779699836.db2.gz LTLJFOWVITXNFT-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@@H+](CCNS(C)(=O)=O)[C@H](C)CNC(=O)CC(=O)NC ZINC001152926116 779699837 /nfs/dbraw/zinc/69/98/37/779699837.db2.gz LTLJFOWVITXNFT-SNVBAGLBSA-N 1 1 322.431 -1.502 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940025 779699986 /nfs/dbraw/zinc/69/99/86/779699986.db2.gz ACHYTVVCFVTLKL-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001152940025 779699993 /nfs/dbraw/zinc/69/99/93/779699993.db2.gz ACHYTVVCFVTLKL-ZJUUUORDSA-N 1 1 301.391 -1.042 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001153150535 779701142 /nfs/dbraw/zinc/70/11/42/779701142.db2.gz IZLBWAAAVMZYHJ-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001153150535 779701146 /nfs/dbraw/zinc/70/11/46/779701146.db2.gz IZLBWAAAVMZYHJ-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001153327841 779702500 /nfs/dbraw/zinc/70/25/00/779702500.db2.gz VAOJVGNTADELAG-SNVBAGLBSA-N 1 1 312.374 -1.150 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001153327841 779702505 /nfs/dbraw/zinc/70/25/05/779702505.db2.gz VAOJVGNTADELAG-SNVBAGLBSA-N 1 1 312.374 -1.150 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153377013 779702840 /nfs/dbraw/zinc/70/28/40/779702840.db2.gz YLBKXOSGMNDBGM-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153377013 779702848 /nfs/dbraw/zinc/70/28/48/779702848.db2.gz YLBKXOSGMNDBGM-LLVKDONJSA-N 1 1 309.374 -1.268 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153372275 779703096 /nfs/dbraw/zinc/70/30/96/779703096.db2.gz IPVGIWDWCVAGSY-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)c2ccc(C(N)=O)cn2)nn1 ZINC001153371901 779703240 /nfs/dbraw/zinc/70/32/40/779703240.db2.gz BQIIDRAVRMPPJS-UHFFFAOYSA-N 1 1 303.326 -1.171 20 0 DAADMO CC[N@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376678 779703669 /nfs/dbraw/zinc/70/36/69/779703669.db2.gz VLOKMBANXVJQOH-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@@H+](CC(=O)NC1CC1)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001153376678 779703672 /nfs/dbraw/zinc/70/36/72/779703672.db2.gz VLOKMBANXVJQOH-SNVBAGLBSA-N 1 1 309.374 -1.222 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(=O)COC ZINC001153533521 779706549 /nfs/dbraw/zinc/70/65/49/779706549.db2.gz WDAAADYZYNWOFP-ZJUUUORDSA-N 1 1 302.375 -1.551 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NC(=O)COC ZINC001153533521 779706554 /nfs/dbraw/zinc/70/65/54/779706554.db2.gz WDAAADYZYNWOFP-ZJUUUORDSA-N 1 1 302.375 -1.551 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001153598185 779707943 /nfs/dbraw/zinc/70/79/43/779707943.db2.gz LYEFAYYKROSZOK-LLVKDONJSA-N 1 1 324.385 -1.294 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)CCNC(=O)[C@@H]2CCCO2)nn1 ZINC001153599182 779708470 /nfs/dbraw/zinc/70/84/70/779708470.db2.gz XKERJXAFTKLFDP-LBPRGKRZSA-N 1 1 324.385 -1.294 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)nc[nH]c3=O)[C@H]2NCN[C@H]21 ZINC001153762693 779709056 /nfs/dbraw/zinc/70/90/56/779709056.db2.gz JWRVCYVDYWULES-QJPTWQEYSA-N 1 1 315.337 -1.532 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CNC(=O)NC ZINC001153715306 779709119 /nfs/dbraw/zinc/70/91/19/779709119.db2.gz NCTDJZXEVPMPEX-GHMZBOCLSA-N 1 1 304.391 -1.251 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)n1C ZINC001153886666 779711794 /nfs/dbraw/zinc/71/17/94/779711794.db2.gz GINYZPZAJDQSCB-SECBINFHSA-N 1 1 322.369 -1.364 20 0 DAADMO CCn1nc(C)c(C[NH2+]CCNC(=O)C[C@@H]2CC(=O)NC2=O)n1 ZINC001153882783 779711897 /nfs/dbraw/zinc/71/18/97/779711897.db2.gz OIIURUHVMFVYQU-SNVBAGLBSA-N 1 1 322.369 -1.135 20 0 DAADMO CCc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC(=O)NC2=O)n1C ZINC001153886667 779712178 /nfs/dbraw/zinc/71/21/78/779712178.db2.gz GINYZPZAJDQSCB-VIFPVBQESA-N 1 1 322.369 -1.364 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC(=O)NC1=O)c1nnnn1C ZINC001153882474 779712613 /nfs/dbraw/zinc/71/26/13/779712613.db2.gz HBXRLSSHOATBRL-JGVFFNPUSA-N 1 1 309.330 -1.970 20 0 DAADMO CCC(CC)C(=O)NCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001153948867 779715055 /nfs/dbraw/zinc/71/50/55/779715055.db2.gz KUFZJUAAVBIZJM-UHFFFAOYSA-N 1 1 311.390 -1.032 20 0 DAADMO Cc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n2nccc2n1 ZINC001153988957 779715145 /nfs/dbraw/zinc/71/51/45/779715145.db2.gz PKHJMOKVLOECQX-SDDRHHMPSA-N 1 1 302.342 -1.830 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)c1cc(C(N)=O)ccn1)c1nnnn1C ZINC001153929820 779715722 /nfs/dbraw/zinc/71/57/22/779715722.db2.gz MWDNNBFWXXEUBC-MRVPVSSYSA-N 1 1 318.341 -1.215 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154140410 779716684 /nfs/dbraw/zinc/71/66/84/779716684.db2.gz OSYYLMUXCGOKKF-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154140410 779716689 /nfs/dbraw/zinc/71/66/89/779716689.db2.gz OSYYLMUXCGOKKF-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001154140410 779716694 /nfs/dbraw/zinc/71/66/94/779716694.db2.gz OSYYLMUXCGOKKF-SECBINFHSA-N 1 1 323.357 -1.203 20 0 DAADMO CC[N@H+](CCO)[C@H](C)CNC(=O)CS(=O)(=O)CCOC ZINC001154046523 779716940 /nfs/dbraw/zinc/71/69/40/779716940.db2.gz WLZNCOLYMOLPBP-LLVKDONJSA-N 1 1 310.416 -1.134 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CS(=O)(=O)CCOC ZINC001154046523 779716944 /nfs/dbraw/zinc/71/69/44/779716944.db2.gz WLZNCOLYMOLPBP-LLVKDONJSA-N 1 1 310.416 -1.134 20 0 DAADMO CC[N@@H+](CCCO)[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001154083417 779717512 /nfs/dbraw/zinc/71/75/12/779717512.db2.gz VKSJZHGVKRVOTD-CYBMUJFWSA-N 1 1 314.430 -1.031 20 0 DAADMO CN1CCc2nc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)sc2C1 ZINC001154224103 779718441 /nfs/dbraw/zinc/71/84/41/779718441.db2.gz OSENKOMSMNHICL-DCAQKATOSA-N 1 1 323.426 -1.736 20 0 DAADMO Nc1nc2ccccc2cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001154289923 779718754 /nfs/dbraw/zinc/71/87/54/779718754.db2.gz UTDWGPXTRQNOFG-FPMFFAJLSA-N 1 1 313.365 -1.050 20 0 DAADMO CC[N@@H+](CCCOC)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469468 779721161 /nfs/dbraw/zinc/72/11/61/779721161.db2.gz ZZBUISLRGUXXEV-LLVKDONJSA-N 1 1 324.447 -1.097 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469330 779721251 /nfs/dbraw/zinc/72/12/51/779721251.db2.gz UKIQSRNIMPPCCK-MRVPVSSYSA-N 1 1 309.392 -2.648 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001154469330 779721254 /nfs/dbraw/zinc/72/12/54/779721254.db2.gz UKIQSRNIMPPCCK-MRVPVSSYSA-N 1 1 309.392 -2.648 20 0 DAADMO COCCc1noc(C[NH2+]CCCNC(=O)Cn2cnnn2)n1 ZINC001154503660 779722531 /nfs/dbraw/zinc/72/25/31/779722531.db2.gz WMWCIHSHCVVCEU-UHFFFAOYSA-N 1 1 324.345 -1.459 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001154602261 779723732 /nfs/dbraw/zinc/72/37/32/779723732.db2.gz XQWNYFBZPBXZAS-NEPJUHHUSA-N 1 1 301.387 -1.042 20 0 DAADMO CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620770 779724524 /nfs/dbraw/zinc/72/45/24/779724524.db2.gz SDKXHQRFNIKBBD-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001154620770 779724527 /nfs/dbraw/zinc/72/45/27/779724527.db2.gz SDKXHQRFNIKBBD-MNOVXSKESA-N 1 1 313.402 -1.075 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3ccc(Cl)nc23)[C@@H]2NCN[C@@H]21 ZINC001154784449 779725530 /nfs/dbraw/zinc/72/55/30/779725530.db2.gz UCALTRAHCXCCKW-KKZNHRDASA-N 1 1 322.760 -1.485 20 0 DAADMO CC[N@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693589 779725546 /nfs/dbraw/zinc/72/55/46/779725546.db2.gz QRYSMZFPFBSSAG-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CC[N@@H+](CC(=O)N1CCC1)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154693589 779725550 /nfs/dbraw/zinc/72/55/50/779725550.db2.gz QRYSMZFPFBSSAG-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CN1CCOc2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ccc21 ZINC001154732375 779725662 /nfs/dbraw/zinc/72/56/62/779725662.db2.gz NIHXIIUOAMAYLJ-RDBSUJKOSA-N 1 1 318.381 -1.352 20 0 DAADMO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001154694126 779725970 /nfs/dbraw/zinc/72/59/70/779725970.db2.gz YYIWBSMHTDEVOL-ZJUUUORDSA-N 1 1 300.363 -1.342 20 0 DAADMO CC[N@H+](Cc1cnnn1C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154913665 779727034 /nfs/dbraw/zinc/72/70/34/779727034.db2.gz AVZKOKHVDNPRIM-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[N@@H+](Cc1cnnn1C)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154913665 779727040 /nfs/dbraw/zinc/72/70/40/779727040.db2.gz AVZKOKHVDNPRIM-MWLCHTKSSA-N 1 1 309.374 -1.177 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154914165 779727434 /nfs/dbraw/zinc/72/74/34/779727434.db2.gz IPZGKNNKROJPJZ-HTQZYQBOSA-N 1 1 314.346 -2.311 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154914165 779727440 /nfs/dbraw/zinc/72/74/40/779727440.db2.gz IPZGKNNKROJPJZ-HTQZYQBOSA-N 1 1 314.346 -2.311 20 0 DAADMO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154921515 779728623 /nfs/dbraw/zinc/72/86/23/779728623.db2.gz PGAHAVLGFXJISY-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001154952576 779728852 /nfs/dbraw/zinc/72/88/52/779728852.db2.gz HLIVZMNBFSHOJX-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001154952576 779728854 /nfs/dbraw/zinc/72/88/54/779728854.db2.gz HLIVZMNBFSHOJX-SNVBAGLBSA-N 1 1 322.431 -1.372 20 0 DAADMO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001154920969 779729061 /nfs/dbraw/zinc/72/90/61/779729061.db2.gz JOZSKTZJAFUGAK-MNOVXSKESA-N 1 1 309.374 -1.214 20 0 DAADMO CCN(C)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154920376 779729131 /nfs/dbraw/zinc/72/91/31/779729131.db2.gz CCFQYUZRDIMJID-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001154920376 779729135 /nfs/dbraw/zinc/72/91/35/779729135.db2.gz CCFQYUZRDIMJID-GHMZBOCLSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)c2cn[nH]c2)n1 ZINC001155022743 779729157 /nfs/dbraw/zinc/72/91/57/779729157.db2.gz BEFPLOIKDXPMDQ-UHFFFAOYSA-N 1 1 321.341 -1.009 20 0 DAADMO Cc1ccn2c(c1)ncc2C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001155349430 779731200 /nfs/dbraw/zinc/73/12/00/779731200.db2.gz ROXCHIRXDXIWQS-FRRDWIJNSA-N 1 1 301.354 -1.225 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2n[nH]c3cccc(F)c32)[C@H]2NCN[C@H]21 ZINC001155290806 779731420 /nfs/dbraw/zinc/73/14/20/779731420.db2.gz VOKRIOULDRGYKN-QJPTWQEYSA-N 1 1 305.317 -1.165 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001155451621 779732251 /nfs/dbraw/zinc/73/22/51/779732251.db2.gz MWUUDNSHYKIXOL-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001155451621 779732257 /nfs/dbraw/zinc/73/22/57/779732257.db2.gz MWUUDNSHYKIXOL-BDAKNGLRSA-N 1 1 308.404 -1.764 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001155606899 779733151 /nfs/dbraw/zinc/73/31/51/779733151.db2.gz FGTADKSIPGTFCO-SECBINFHSA-N 1 1 314.342 -1.774 20 0 DAADMO CC[N@@H+](CCOC)[C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001155529199 779733227 /nfs/dbraw/zinc/73/32/27/779733227.db2.gz XTAAKJGKURWEQB-LLVKDONJSA-N 1 1 324.447 -1.145 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001155645073 779734780 /nfs/dbraw/zinc/73/47/80/779734780.db2.gz YWYZEKJHHKTSKL-KOLCDFICSA-N 1 1 302.375 -1.815 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3c(s2)CCOC3)[C@@H]2NCN[C@@H]21 ZINC001155834181 779735438 /nfs/dbraw/zinc/73/54/38/779735438.db2.gz BTHHBVHFCLIJKE-UTUOFQBUSA-N 1 1 309.395 -1.047 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001155850266 779735665 /nfs/dbraw/zinc/73/56/65/779735665.db2.gz BEASEZKIJLJDFA-LLVKDONJSA-N 1 1 312.370 -1.254 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001155806566 779736398 /nfs/dbraw/zinc/73/63/98/779736398.db2.gz BGEMWQTYUDUZMG-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001155806566 779736402 /nfs/dbraw/zinc/73/64/02/779736402.db2.gz BGEMWQTYUDUZMG-MRVPVSSYSA-N 1 1 311.346 -1.550 20 0 DAADMO CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)c1cnon1 ZINC001155936605 779737142 /nfs/dbraw/zinc/73/71/42/779737142.db2.gz QHDZDMHDVOQJTN-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)c1cnon1 ZINC001155936605 779737161 /nfs/dbraw/zinc/73/71/61/779737161.db2.gz QHDZDMHDVOQJTN-MRVPVSSYSA-N 1 1 312.330 -1.035 20 0 DAADMO COc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)nnc12 ZINC001156017138 779737618 /nfs/dbraw/zinc/73/76/18/779737618.db2.gz HSXJZJCMOHTMIO-ATZCPNFKSA-N 1 1 318.341 -2.129 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156011408 779737627 /nfs/dbraw/zinc/73/76/27/779737627.db2.gz CBAUQVAOQXRTDR-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001156011408 779737631 /nfs/dbraw/zinc/73/76/31/779737631.db2.gz CBAUQVAOQXRTDR-SECBINFHSA-N 1 1 310.358 -1.026 20 0 DAADMO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001156000329 779737720 /nfs/dbraw/zinc/73/77/20/779737720.db2.gz NUVAFLADOUUVFT-VXGBXAGGSA-N 1 1 314.390 -1.103 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3cccc(Cl)n32)[C@H]2NCN[C@H]21 ZINC001156028676 779738203 /nfs/dbraw/zinc/73/82/03/779738203.db2.gz KXXBHXNZLLPGAJ-IVZWLZJFSA-N 1 1 322.760 -1.485 20 0 DAADMO Cc1cccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nnc12 ZINC001156357070 779739832 /nfs/dbraw/zinc/73/98/32/779739832.db2.gz GFYXKSNCAQSDAI-QXEWZRGKSA-N 1 1 302.342 -1.830 20 0 DAADMO Cc1nccn2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)nnc12 ZINC001156420269 779739945 /nfs/dbraw/zinc/73/99/45/779739945.db2.gz FAXLFWADQOYJQQ-NRPADANISA-N 1 1 303.330 -2.435 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001156358964 779740025 /nfs/dbraw/zinc/74/00/25/779740025.db2.gz FAHKRDYYLYQYKA-SECBINFHSA-N 1 1 308.342 -1.150 20 0 DAADMO O=C(CCc1nc[nH]n1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001156335993 779740616 /nfs/dbraw/zinc/74/06/16/779740616.db2.gz DAJFUOLGURJTOX-SECBINFHSA-N 1 1 308.342 -1.362 20 0 DAADMO C[C@H]([NH2+]CCCNC(=O)CCc1nc[nH]n1)C(=O)NC(N)=O ZINC001156350143 779740784 /nfs/dbraw/zinc/74/07/84/779740784.db2.gz XKJWHLFPJNFLKJ-QMMMGPOBSA-N 1 1 311.346 -1.583 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3ncsc3n2)[C@H]2NCN[C@@H]21 ZINC001156308256 779740954 /nfs/dbraw/zinc/74/09/54/779740954.db2.gz BDLVOVMMRSSPAC-OPRDCNLKSA-N 1 1 305.367 -1.176 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2nnc3c(F)cccn23)[C@@H]2NCN[C@H]21 ZINC001156344327 779740971 /nfs/dbraw/zinc/74/09/71/779740971.db2.gz ZQLJQDYGDBRHRK-XKSSXDPKSA-N 1 1 306.305 -1.999 20 0 DAADMO CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1nc(C)ccc1=O ZINC001156501794 779742250 /nfs/dbraw/zinc/74/22/50/779742250.db2.gz NJOZYOWEHBCFEI-LLVKDONJSA-N 1 1 309.370 -1.136 20 0 DAADMO CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1nc(C)ccc1=O ZINC001156501794 779742253 /nfs/dbraw/zinc/74/22/53/779742253.db2.gz NJOZYOWEHBCFEI-LLVKDONJSA-N 1 1 309.370 -1.136 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnc3cccc(F)n32)[C@@H]2NCN[C@H]21 ZINC001156639959 779743141 /nfs/dbraw/zinc/74/31/41/779743141.db2.gz UVUKXTGYQNIGOF-TUAOUCFPSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001156803503 779744233 /nfs/dbraw/zinc/74/42/33/779744233.db2.gz WZVNXDUGXZHYHH-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001156803503 779744237 /nfs/dbraw/zinc/74/42/37/779744237.db2.gz WZVNXDUGXZHYHH-SNVBAGLBSA-N 1 1 312.370 -1.292 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cnn3cc(F)ccc23)[C@H]2NCN[C@H]21 ZINC001156941257 779745976 /nfs/dbraw/zinc/74/59/76/779745976.db2.gz SJEZFKHHSBKSSQ-QJPTWQEYSA-N 1 1 305.317 -1.394 20 0 DAADMO CC[N@H+](CCO)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001156875815 779746175 /nfs/dbraw/zinc/74/61/75/779746175.db2.gz PFFWTKOODAGFBN-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CC[N@@H+](CCO)[C@H](C)CNC(=O)CN1CCS(=O)(=O)CC1 ZINC001156875815 779746177 /nfs/dbraw/zinc/74/61/77/779746177.db2.gz PFFWTKOODAGFBN-GFCCVEGCSA-N 1 1 321.443 -1.464 20 0 DAADMO CNC(=O)CC(=O)NCCC[NH2+]Cc1nc(CCOC)no1 ZINC001156996025 779747067 /nfs/dbraw/zinc/74/70/67/779747067.db2.gz LELDNWXXJPKFBT-UHFFFAOYSA-N 1 1 313.358 -1.010 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001156960922 779747268 /nfs/dbraw/zinc/74/72/68/779747268.db2.gz AAXWWSHSIAHBTD-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001156960922 779747270 /nfs/dbraw/zinc/74/72/70/779747270.db2.gz AAXWWSHSIAHBTD-ZJUUUORDSA-N 1 1 320.415 -1.749 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001157082667 779748073 /nfs/dbraw/zinc/74/80/73/779748073.db2.gz MYKWAEMSLFYJOF-XYJRDEOASA-N 1 1 321.381 -1.050 20 0 DAADMO COc1ccc2nc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cn2c1 ZINC001157089737 779748093 /nfs/dbraw/zinc/74/80/93/779748093.db2.gz UTXGJEVJKFHWRB-AGIUHOORSA-N 1 1 317.353 -1.524 20 0 DAADMO COc1ccc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)c[nH]c2n1 ZINC001157104410 779748188 /nfs/dbraw/zinc/74/81/88/779748188.db2.gz IFTHNKQIWBEKES-GVXVVHGQSA-N 1 1 317.353 -1.296 20 0 DAADMO CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001157109722 779748232 /nfs/dbraw/zinc/74/82/32/779748232.db2.gz SKYMBSXPQRNLMM-NXEZZACHSA-N 1 1 312.374 -1.416 20 0 DAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001157081920 779748393 /nfs/dbraw/zinc/74/83/93/779748393.db2.gz FSQUIQUIIJHYBO-IFUGULHKSA-N 1 1 321.381 -1.048 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)[C@H](C)NC(N)=O)n1 ZINC001157044376 779748443 /nfs/dbraw/zinc/74/84/43/779748443.db2.gz MYIOXRPFVAFGEO-QMMMGPOBSA-N 1 1 314.346 -1.131 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc3c(c2)C(=O)OC3)[C@H]2NCN[C@H]21 ZINC001157192098 779749477 /nfs/dbraw/zinc/74/94/77/779749477.db2.gz MHDYDXDKMDZTMT-QJPTWQEYSA-N 1 1 303.322 -1.510 20 0 DAADMO CN(C)S(=O)(=O)NCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001157119867 779749792 /nfs/dbraw/zinc/74/97/92/779749792.db2.gz FJEUQIDAKMDRBY-GHMZBOCLSA-N 1 1 322.431 -1.656 20 0 DAADMO CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CCCC(N)=O ZINC001157273739 779751134 /nfs/dbraw/zinc/75/11/34/779751134.db2.gz GFRBDDYCGIKMDA-SECBINFHSA-N 1 1 315.374 -1.337 20 0 DAADMO CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)CCCC(N)=O ZINC001157273739 779751139 /nfs/dbraw/zinc/75/11/39/779751139.db2.gz GFRBDDYCGIKMDA-SECBINFHSA-N 1 1 315.374 -1.337 20 0 DAADMO CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001157364654 779752985 /nfs/dbraw/zinc/75/29/85/779752985.db2.gz YQHLDCAFDCLKLM-ZJUUUORDSA-N 1 1 312.370 -1.388 20 0 DAADMO CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001157364654 779752991 /nfs/dbraw/zinc/75/29/91/779752991.db2.gz YQHLDCAFDCLKLM-ZJUUUORDSA-N 1 1 312.370 -1.388 20 0 DAADMO COC(=O)[C@@]1(F)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157716509 779757772 /nfs/dbraw/zinc/75/77/72/779757772.db2.gz OVTARFYYPSLEIW-BXUZGUMPSA-N 1 1 316.377 -1.150 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001157827628 779758760 /nfs/dbraw/zinc/75/87/60/779758760.db2.gz FUADTVDBTSDQMM-SNVBAGLBSA-N 1 1 310.358 -1.218 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)CN1CN=NC1=O ZINC001157827628 779758765 /nfs/dbraw/zinc/75/87/65/779758765.db2.gz FUADTVDBTSDQMM-SNVBAGLBSA-N 1 1 310.358 -1.218 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157752945 779758797 /nfs/dbraw/zinc/75/87/97/779758797.db2.gz BAWLRBOYRIIHMU-OUJBWJOFSA-N 1 1 304.366 -1.510 20 0 DAADMO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001157736368 779758808 /nfs/dbraw/zinc/75/88/08/779758808.db2.gz GJLNLVFRSNXCNL-UHFFFAOYSA-N 1 1 311.346 -1.793 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157752941 779759082 /nfs/dbraw/zinc/75/90/82/779759082.db2.gz BAWLRBOYRIIHMU-KWBADKCTSA-N 1 1 304.366 -1.510 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)CC(N)=O ZINC001157729204 779759438 /nfs/dbraw/zinc/75/94/38/779759438.db2.gz PUPAJTHZOHOJOE-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCCCN1C(=O)CC(N)=O ZINC001157729204 779759443 /nfs/dbraw/zinc/75/94/43/779759443.db2.gz PUPAJTHZOHOJOE-SECBINFHSA-N 1 1 313.358 -1.630 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157906018 779761706 /nfs/dbraw/zinc/76/17/06/779761706.db2.gz YPOYNRRCFZPCFQ-KGYLQXTDSA-N 1 1 300.403 -2.062 20 0 DAADMO C[S@](=O)CC[C@H](N)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158103056 779766996 /nfs/dbraw/zinc/76/69/96/779766996.db2.gz ZZIHTWXHEXGOAM-TVLKGPQESA-N 1 1 302.400 -2.227 20 0 DAADMO O=C(c1ncn2c1CNCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111269 779768254 /nfs/dbraw/zinc/76/82/54/779768254.db2.gz MPEQKEHVNRMSSY-AWEZNQCLSA-N 1 1 304.354 -1.710 20 0 DAADMO O=C([C@@H]1CNCCC1=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121690 779769917 /nfs/dbraw/zinc/76/99/17/779769917.db2.gz WBYSWLHSSYSSNM-MEBBXXQBSA-N 1 1 306.366 -1.897 20 0 DAADMO Cn1cnn(CC(=O)N2CCCC[C@@H]2C[N@@H+](C)CCO)c1=O ZINC001158147951 779770188 /nfs/dbraw/zinc/77/01/88/779770188.db2.gz JQLGNJZLDZGHOM-GFCCVEGCSA-N 1 1 311.386 -1.113 20 0 DAADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)C2 ZINC001158235927 779772951 /nfs/dbraw/zinc/77/29/51/779772951.db2.gz UJNXDLHAYCKJON-PXWWUCIGSA-N 1 1 308.338 -1.073 20 0 DAADMO CNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001158336388 779773703 /nfs/dbraw/zinc/77/37/03/779773703.db2.gz NLTVKWRGXSXZRT-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO CNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001158336388 779773707 /nfs/dbraw/zinc/77/37/07/779773707.db2.gz NLTVKWRGXSXZRT-SNVBAGLBSA-N 1 1 309.374 -1.117 20 0 DAADMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326091 779773769 /nfs/dbraw/zinc/77/37/69/779773769.db2.gz GPUREFCDWFOPCC-NSHDSACASA-N 1 1 307.354 -1.213 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001158516434 779776491 /nfs/dbraw/zinc/77/64/91/779776491.db2.gz OEVOACFSSSMIIU-GARJFASQSA-N 1 1 310.354 -1.358 20 0 DAADMO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CNCCC1=O ZINC001158497498 779776699 /nfs/dbraw/zinc/77/66/99/779776699.db2.gz AEXHJMBCICAGTE-WHOHXGKFSA-N 1 1 309.366 -1.083 20 0 DAADMO O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001158516435 779777111 /nfs/dbraw/zinc/77/71/11/779777111.db2.gz OEVOACFSSSMIIU-HBNTYKKESA-N 1 1 310.354 -1.358 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001158604997 779777887 /nfs/dbraw/zinc/77/78/87/779777887.db2.gz ISDFOKPVIXMEPQ-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001158604997 779777895 /nfs/dbraw/zinc/77/78/95/779777895.db2.gz ISDFOKPVIXMEPQ-LLVKDONJSA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158783658 779780355 /nfs/dbraw/zinc/78/03/55/779780355.db2.gz NLVGYXYSLNFFFO-UHFFFAOYSA-N 1 1 302.360 -2.149 20 0 DAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001158890739 779782035 /nfs/dbraw/zinc/78/20/35/779782035.db2.gz LPGIXQJKDKZVGM-NSHDSACASA-N 1 1 323.397 -1.129 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001158971321 779783178 /nfs/dbraw/zinc/78/31/78/779783178.db2.gz QGEBFYHNFLSBQT-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+](CC(N)=O)C[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001158971321 779783184 /nfs/dbraw/zinc/78/31/84/779783184.db2.gz QGEBFYHNFLSBQT-GHMZBOCLSA-N 1 1 324.381 -1.163 20 0 DAADMO Cn1ccc2c1nc[nH+]c2N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001158973554 779783467 /nfs/dbraw/zinc/78/34/67/779783467.db2.gz AZAHNUPHUPOJEU-ACDNLYMZSA-N 1 1 310.310 -1.820 20 0 DAADMO COCc1[nH]nc2c1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159092075 779786576 /nfs/dbraw/zinc/78/65/76/779786576.db2.gz ZDWOKNQSZGJJRE-LBPRGKRZSA-N 1 1 307.354 -1.271 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O)o1 ZINC001159184289 779788025 /nfs/dbraw/zinc/78/80/25/779788025.db2.gz KMJPBLXRPUJIKX-UHFFFAOYSA-N 1 1 319.387 -1.135 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210793 779789146 /nfs/dbraw/zinc/78/91/46/779789146.db2.gz QJAZVPJCEPZGOA-LLVKDONJSA-N 1 1 321.385 -1.054 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CNC(N)=O)CC1 ZINC001159206263 779789398 /nfs/dbraw/zinc/78/93/98/779789398.db2.gz WDWLQLPSKYUYRG-LBPRGKRZSA-N 1 1 314.386 -1.200 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210107 779789416 /nfs/dbraw/zinc/78/94/16/779789416.db2.gz GLOIBCWOZNHURI-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210107 779789419 /nfs/dbraw/zinc/78/94/19/779789419.db2.gz GLOIBCWOZNHURI-UHFFFAOYSA-N 1 1 307.358 -1.443 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159209960 779789528 /nfs/dbraw/zinc/78/95/28/779789528.db2.gz GGBYWDXJWIVEJS-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159209960 779789531 /nfs/dbraw/zinc/78/95/31/779789531.db2.gz GGBYWDXJWIVEJS-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO N[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)C1 ZINC001159273134 779791985 /nfs/dbraw/zinc/79/19/85/779791985.db2.gz PAXUIDIJRJKHPG-XQHKEYJVSA-N 1 1 318.381 -1.418 20 0 DAADMO CNC(=O)NCC(=O)NCCC[NH2+]Cc1nc(COC)no1 ZINC001159341257 779792893 /nfs/dbraw/zinc/79/28/93/779792893.db2.gz OPJQNHITXOXDSR-UHFFFAOYSA-N 1 1 314.346 -1.259 20 0 DAADMO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001159520256 779794264 /nfs/dbraw/zinc/79/42/64/779794264.db2.gz ULCQYHUGPQQWHY-NSHDSACASA-N 1 1 322.369 -1.065 20 0 DAADMO NC(=O)CC(=O)NCCC1=CC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001159666598 779795719 /nfs/dbraw/zinc/79/57/19/779795719.db2.gz ATYBZBGNJVFOFU-LLVKDONJSA-N 1 1 322.365 -1.195 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)C1 ZINC001159770464 779797115 /nfs/dbraw/zinc/79/71/15/779797115.db2.gz UJMBQJSPWWNGEQ-QNSTZXKLSA-N 1 1 322.409 -1.040 20 0 DAADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)C2 ZINC001159930039 779798659 /nfs/dbraw/zinc/79/86/59/779798659.db2.gz PJRTVRXEPYOJOM-UWVGGRQHSA-N 1 1 307.358 -2.054 20 0 DAADMO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)[C@H]2C1 ZINC001159998325 779799342 /nfs/dbraw/zinc/79/93/42/779799342.db2.gz FXXVGRSXJRGOMZ-RHYQMDGZSA-N 1 1 316.427 -1.442 20 0 DAADMO [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157510 779800241 /nfs/dbraw/zinc/80/02/41/779800241.db2.gz XLVHKZFGGSQCFT-TUAOUCFPSA-N 1 1 321.385 -1.609 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150208 779800426 /nfs/dbraw/zinc/80/04/26/779800426.db2.gz HGOQBIGXTFOGOD-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150208 779800435 /nfs/dbraw/zinc/80/04/35/779800435.db2.gz HGOQBIGXTFOGOD-UHFFFAOYSA-N 1 1 321.385 -1.052 20 0 DAADMO COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160150188 779800945 /nfs/dbraw/zinc/80/09/45/779800945.db2.gz FZWZPDHJGGMANF-ZDUSSCGKSA-N 1 1 324.385 -1.181 20 0 DAADMO Cc1n[nH]c(C[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n1 ZINC001160171845 779801904 /nfs/dbraw/zinc/80/19/04/779801904.db2.gz DCIDQWFTMRZQKY-QMMMGPOBSA-N 1 1 309.330 -1.693 20 0 DAADMO Cc1nc(C[NH2+]CCCNC(=O)Cc2[nH]c(O)nc2O)n[nH]1 ZINC001160171845 779801908 /nfs/dbraw/zinc/80/19/08/779801908.db2.gz DCIDQWFTMRZQKY-QMMMGPOBSA-N 1 1 309.330 -1.693 20 0 DAADMO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CCO2 ZINC001160180561 779803164 /nfs/dbraw/zinc/80/31/64/779803164.db2.gz VLKHQLMKNZGIJD-YDHLFZDLSA-N 1 1 310.398 -1.085 20 0 DAADMO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CCC2 ZINC001160322353 779805677 /nfs/dbraw/zinc/80/56/77/779805677.db2.gz AATRCWRJTSYLQM-RYUDHWBXSA-N 1 1 320.397 -1.059 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160431876 779806620 /nfs/dbraw/zinc/80/66/20/779806620.db2.gz HQYVQIJUCBCADD-VIFPVBQESA-N 1 1 307.372 -1.629 20 0 DAADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001160439782 779806749 /nfs/dbraw/zinc/80/67/49/779806749.db2.gz MWEGCBBDRDHKFS-WDEREUQCSA-N 1 1 323.353 -1.440 20 0 DAADMO NC[C@H]([NH3+])c1ccc(C(=O)N2CC(N3CCNC(=O)C3)C2)cc1 ZINC001160640617 779813175 /nfs/dbraw/zinc/81/31/75/779813175.db2.gz JLFIRKVTQVYXGB-AWEZNQCLSA-N 1 1 317.393 -1.099 20 0 DAADMO NC[C@@H]([NH3+])c1ccc(C(=O)N2CC(N3CCNC(=O)C3)C2)cc1 ZINC001160640618 779813595 /nfs/dbraw/zinc/81/35/95/779813595.db2.gz JLFIRKVTQVYXGB-CQSZACIVSA-N 1 1 317.393 -1.099 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655901 779814816 /nfs/dbraw/zinc/81/48/16/779814816.db2.gz RGOAKBZZGBLFNA-HZSPNIEDSA-N 1 1 320.393 -1.407 20 0 DAADMO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)C1CCS(=O)(=O)CC1 ZINC001160718620 779816380 /nfs/dbraw/zinc/81/63/80/779816380.db2.gz NTYLHPRIEKXAQG-LLVKDONJSA-N 1 1 301.412 -1.169 20 0 DAADMO CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160787912 779818076 /nfs/dbraw/zinc/81/80/76/779818076.db2.gz NTIOJSPFUWDIDK-CMPLNLGQSA-N 1 1 307.354 -1.040 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772957 779818215 /nfs/dbraw/zinc/81/82/15/779818215.db2.gz YFERHLNXLDPWQV-JTQLQIEISA-N 1 1 313.354 -1.226 20 0 DAADMO CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160788314 779818432 /nfs/dbraw/zinc/81/84/32/779818432.db2.gz QQJUSBDTXXVGFG-HOTUBEGUSA-N 1 1 307.354 -1.055 20 0 DAADMO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1COC[NH2+]1)C2 ZINC001160772740 779818476 /nfs/dbraw/zinc/81/84/76/779818476.db2.gz WMRMZPVSHCLWDO-BDAKNGLRSA-N 1 1 318.351 -1.879 20 0 DAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)Cc3nn[nH]n3)C[C@H]1C2 ZINC001160790009 779818706 /nfs/dbraw/zinc/81/87/06/779818706.db2.gz HYVLZIMPTKZTCJ-PUXPGTEJSA-N 1 1 320.353 -1.401 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837570 779820010 /nfs/dbraw/zinc/82/00/10/779820010.db2.gz BRFOCRJISPMHSJ-AXFHLTTASA-N 1 1 302.375 -2.400 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001160860042 779822024 /nfs/dbraw/zinc/82/20/24/779822024.db2.gz AJDWVLDRLDURIS-UHFFFAOYSA-N 1 1 323.397 -1.958 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001160860042 779822028 /nfs/dbraw/zinc/82/20/28/779822028.db2.gz AJDWVLDRLDURIS-UHFFFAOYSA-N 1 1 323.397 -1.958 20 0 DAADMO CN1CC(=O)Nc2cnc(NCCN3CC[NH2+]CC3=O)nc21 ZINC001161024456 779824181 /nfs/dbraw/zinc/82/41/81/779824181.db2.gz MFFXLKZPKAVQNL-UHFFFAOYSA-N 1 1 305.342 -1.291 20 0 DAADMO CN1C[C@H](C(=O)N2CCC[C@H]2C(N)=O)OC2(CC[NH2+]CC2)C1 ZINC001161035168 779824734 /nfs/dbraw/zinc/82/47/34/779824734.db2.gz UNIGZKPTCYFKCB-NWDGAFQWSA-N 1 1 310.398 -1.085 20 0 DAADMO CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050717 779824823 /nfs/dbraw/zinc/82/48/23/779824823.db2.gz KPLJHMALGDQBRM-LBPRGKRZSA-N 1 1 323.397 -1.058 20 0 DAADMO CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001161050717 779824829 /nfs/dbraw/zinc/82/48/29/779824829.db2.gz KPLJHMALGDQBRM-LBPRGKRZSA-N 1 1 323.397 -1.058 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC=C(CCNC(=O)C(N)=O)CC1 ZINC001161069822 779825223 /nfs/dbraw/zinc/82/52/23/779825223.db2.gz DNKSJZGIUBPGBE-QMMMGPOBSA-N 1 1 311.342 -1.807 20 0 DAADMO C[C@H](C(=O)NCCC[NH2+]Cc1nnnn1C)S(C)(=O)=O ZINC001161083452 779826933 /nfs/dbraw/zinc/82/69/33/779826933.db2.gz JHARUZXTOFKZJA-MRVPVSSYSA-N 1 1 304.376 -1.761 20 0 DAADMO CCOC(=O)CN(CCC[NH3+])C(=O)C1(C(=O)OCC)CNC1 ZINC001161157954 779829776 /nfs/dbraw/zinc/82/97/76/779829776.db2.gz MLDOGSWJZNXUIU-UHFFFAOYSA-N 1 1 315.370 -1.120 20 0 DAADMO CCC[NH+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C[C@@H]2C1 ZINC001161175624 779831398 /nfs/dbraw/zinc/83/13/98/779831398.db2.gz MSZXKVKYEXUWDQ-CYDGBPFRSA-N 1 1 312.414 -1.389 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)N1CCN(c2ncncn2)CC1 ZINC001161247320 779832071 /nfs/dbraw/zinc/83/20/71/779832071.db2.gz CXSGOZSYIRYMRY-JTQLQIEISA-N 1 1 308.342 -1.199 20 0 DAADMO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001161270729 779832689 /nfs/dbraw/zinc/83/26/89/779832689.db2.gz QYFXJSIOVHSJBD-KGLIPLIRSA-N 1 1 311.430 -1.136 20 0 DAADMO O=C(NC1CCN(C(=O)[C@@H]2COC[NH2+]2)CC1)N1CCOCC1 ZINC001161269156 779833092 /nfs/dbraw/zinc/83/30/92/779833092.db2.gz ROWKQIOECXXVHR-LBPRGKRZSA-N 1 1 312.370 -1.035 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001161343804 779833747 /nfs/dbraw/zinc/83/37/47/779833747.db2.gz UJTBMILJZSNBIN-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001161343804 779833755 /nfs/dbraw/zinc/83/37/55/779833755.db2.gz UJTBMILJZSNBIN-JTQLQIEISA-N 1 1 323.353 -1.792 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CCN1C(C)=O ZINC001161295159 779833983 /nfs/dbraw/zinc/83/39/83/779833983.db2.gz HBZRSNVIPDPTOK-NWDGAFQWSA-N 1 1 323.353 -1.488 20 0 DAADMO Cn1cnn(CC(=O)NCCC[NH2+]Cc2csnn2)c1=O ZINC001161462245 779839337 /nfs/dbraw/zinc/83/93/37/779839337.db2.gz VASVQDJFUGRDJU-UHFFFAOYSA-N 1 1 311.371 -1.271 20 0 DAADMO NC(=O)c1ccc(C[C@H](N)C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161509019 779840464 /nfs/dbraw/zinc/84/04/64/779840464.db2.gz HNDFNABIYCTXBQ-QWHCGFSZSA-N 1 1 318.377 -1.159 20 0 DAADMO CO[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C[C@@H]1[NH3+] ZINC001161493185 779840661 /nfs/dbraw/zinc/84/06/61/779840661.db2.gz GAFIMQAPICAMLM-GARJFASQSA-N 1 1 316.402 -1.571 20 0 DAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491896 779840742 /nfs/dbraw/zinc/84/07/42/779840742.db2.gz JNHNSCLTAJNOQC-LOWVWBTDSA-N 1 1 310.398 -1.589 20 0 DAADMO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCNC2(CC2)C1 ZINC001161542902 779841681 /nfs/dbraw/zinc/84/16/81/779841681.db2.gz KNVXFZXYIQDLOG-NSHDSACASA-N 1 1 317.397 -1.112 20 0 DAADMO O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)c1cnn[nH]1 ZINC001161690487 779843381 /nfs/dbraw/zinc/84/33/81/779843381.db2.gz BFVJXQIOXCCBDN-UHFFFAOYSA-N 1 1 306.330 -1.164 20 0 DAADMO N[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001161601680 779843501 /nfs/dbraw/zinc/84/35/01/779843501.db2.gz JRNGFPYIIUSFQB-ZDEQEGDKSA-N 1 1 300.378 -1.053 20 0 DAADMO NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1[nH]nc2c1CCC2 ZINC001161685801 779843710 /nfs/dbraw/zinc/84/37/10/779843710.db2.gz NSGJEOKADOTXQP-UHFFFAOYSA-N 1 1 308.342 -1.197 20 0 DAADMO O=C(C[NH2+]CCCNC(=O)c1cnn[nH]1)N1CCNC(=O)C1 ZINC001161690842 779844036 /nfs/dbraw/zinc/84/40/36/779844036.db2.gz JSVSTBDVRSCXLP-UHFFFAOYSA-N 1 1 309.330 -2.527 20 0 DAADMO O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)c1cnn[nH]1 ZINC001161697856 779844263 /nfs/dbraw/zinc/84/42/63/779844263.db2.gz RFKYMJUAPQPIII-JTQLQIEISA-N 1 1 310.358 -1.503 20 0 DAADMO CNC(=O)C[N@H+]1CC=C(CCNC(=O)CCNC(N)=O)CC1 ZINC001161834212 779846423 /nfs/dbraw/zinc/84/64/23/779846423.db2.gz CGJCDPZWJIWYJW-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO CNC(=O)C[N@@H+]1CC=C(CCNC(=O)CCNC(N)=O)CC1 ZINC001161834212 779846427 /nfs/dbraw/zinc/84/64/27/779846427.db2.gz CGJCDPZWJIWYJW-UHFFFAOYSA-N 1 1 311.386 -1.071 20 0 DAADMO O=C(NCCC1=CC[N@@H+](CCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001161889144 779846911 /nfs/dbraw/zinc/84/69/11/779846911.db2.gz RQMLCNLHUCAHCJ-GFCCVEGCSA-N 1 1 317.411 -1.191 20 0 DAADMO Cn1cc(C(=O)NCCC2=CC[N@H+](CC(N)=O)CC2)n(C)c1=O ZINC001161963765 779848155 /nfs/dbraw/zinc/84/81/55/779848155.db2.gz SBPCPCQQADOOBK-UHFFFAOYSA-N 1 1 321.381 -1.039 20 0 DAADMO Cn1cc(C(=O)NCCC2=CC[N@@H+](CC(N)=O)CC2)n(C)c1=O ZINC001161963765 779848162 /nfs/dbraw/zinc/84/81/62/779848162.db2.gz SBPCPCQQADOOBK-UHFFFAOYSA-N 1 1 321.381 -1.039 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001162044390 779849380 /nfs/dbraw/zinc/84/93/80/779849380.db2.gz LWIMGUOLRGNSSW-VIFPVBQESA-N 1 1 316.387 -1.759 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(CN3CCOCC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162435485 779851956 /nfs/dbraw/zinc/85/19/56/779851956.db2.gz CSEYKSXWLMYPKI-KFWWJZLASA-N 1 1 319.413 -1.589 20 0 DAADMO COCC1(CNC(=O)c2ncn(C)n2)CC[NH+](CC(N)=O)CC1 ZINC001162252651 779852408 /nfs/dbraw/zinc/85/24/08/779852408.db2.gz KOGCPOJUZAOMIL-UHFFFAOYSA-N 1 1 324.385 -1.241 20 0 DAADMO [NH3+][C@@H]1NCN(c2ccc(CN3CCOCC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162435487 779852556 /nfs/dbraw/zinc/85/25/56/779852556.db2.gz CSEYKSXWLMYPKI-RBSFLKMASA-N 1 1 319.413 -1.589 20 0 DAADMO CC(C)(C)C(=O)Nc1ccc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nn1 ZINC001162437709 779853196 /nfs/dbraw/zinc/85/31/96/779853196.db2.gz CXTKDGVVTDCSDK-SDDRHHMPSA-N 1 1 320.401 -1.042 20 0 DAADMO COC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1OC ZINC001162436349 779853361 /nfs/dbraw/zinc/85/33/61/779853361.db2.gz KILXYLUETWAVFQ-SRVKXCTJSA-N 1 1 308.342 -1.626 20 0 DAADMO NC(=O)c1cc(F)c(Cl)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162436666 779853492 /nfs/dbraw/zinc/85/34/92/779853492.db2.gz ORMXTEHMWDFUQK-GEOGLEFRSA-N 1 1 315.740 -1.530 20 0 DAADMO NC(=O)c1cc(F)c(Cl)nc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162436667 779853575 /nfs/dbraw/zinc/85/35/75/779853575.db2.gz ORMXTEHMWDFUQK-RASWFIQWSA-N 1 1 315.740 -1.530 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCOCC3)ncn2)[C@H]2NCN[C@@H]21 ZINC001162437803 779853986 /nfs/dbraw/zinc/85/39/86/779853986.db2.gz VTPWSTVJKYGABQ-JHJVBQTASA-N 1 1 306.374 -2.190 20 0 DAADMO CCOC(=O)Cc1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162437585 779854124 /nfs/dbraw/zinc/85/41/24/779854124.db2.gz VGMUMDMGXDEVDB-DYEKYZERSA-N 1 1 306.370 -1.316 20 0 DAADMO [NH3+][C@@H]1NCN(c2[nH]c3cc(=O)[nH]c-3cc2Cl)[C@@H]2NCN[C@@H]21 ZINC001162437618 779854269 /nfs/dbraw/zinc/85/42/69/779854269.db2.gz CHLASYJDQMXZHK-FOGDFJRCSA-N 1 1 309.761 -1.274 20 0 DAADMO COC(=O)c1cc(OC)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162438674 779855005 /nfs/dbraw/zinc/85/50/05/779855005.db2.gz HGKMXSWGVRCRQX-SCVCMEIPSA-N 1 1 308.342 -1.626 20 0 DAADMO Cc1nc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)c2[nH]1 ZINC001162440771 779855317 /nfs/dbraw/zinc/85/53/17/779855317.db2.gz VKFTXAOCVYOMQB-XZKCWBSRSA-N 1 1 309.765 -1.188 20 0 DAADMO COC(=O)c1nc(Cl)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162440727 779855467 /nfs/dbraw/zinc/85/54/67/779855467.db2.gz UNDARFBMOGFDJI-YEPSODPASA-N 1 1 313.749 -1.587 20 0 DAADMO COC(=O)c1nc(Cl)cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162440724 779855648 /nfs/dbraw/zinc/85/56/48/779855648.db2.gz UNDARFBMOGFDJI-BWVDBABLSA-N 1 1 313.749 -1.587 20 0 DAADMO CCOC(=O)Cc1ccc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1 ZINC001162438794 779855885 /nfs/dbraw/zinc/85/58/85/779855885.db2.gz HQXIJCSAPDPRCL-RDBSUJKOSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOC(=O)Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001162442231 779856500 /nfs/dbraw/zinc/85/65/00/779856500.db2.gz AHNKPDOWMXYZAM-MELADBBJSA-N 1 1 306.370 -1.316 20 0 DAADMO CCOC(=O)Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001162442228 779856695 /nfs/dbraw/zinc/85/66/95/779856695.db2.gz AHNKPDOWMXYZAM-HZSPNIEDSA-N 1 1 306.370 -1.316 20 0 DAADMO C[NH+]1CCN(c2nccc(N3CN[C@H](N)[C@@H]4NCN[C@@H]43)n2)CC1 ZINC001162443132 779856923 /nfs/dbraw/zinc/85/69/23/779856923.db2.gz FXQZLSVLMQYDPJ-RWMBFGLXSA-N 1 1 319.417 -2.275 20 0 DAADMO CCOC(=O)c1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(OC)c1 ZINC001162441536 779856976 /nfs/dbraw/zinc/85/69/76/779856976.db2.gz YPDDKHFHWOSIPK-GVXVVHGQSA-N 1 1 322.369 -1.236 20 0 DAADMO NS(=O)(=O)c1cnc(N2CN[C@@H]([NH3+])[C@@H]3NCN[C@@H]32)c(F)c1 ZINC001162442480 779857143 /nfs/dbraw/zinc/85/71/43/779857143.db2.gz BTHDAQFDJSAOIQ-QXFUBDJGSA-N 1 1 317.350 -2.635 20 0 DAADMO COC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1OC ZINC001162442358 779857203 /nfs/dbraw/zinc/85/72/03/779857203.db2.gz BFPMEJQJYDQNNA-UJNFCWOMSA-N 1 1 309.330 -2.231 20 0 DAADMO COC(=O)c1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1OC ZINC001162442356 779857297 /nfs/dbraw/zinc/85/72/97/779857297.db2.gz BFPMEJQJYDQNNA-HGNGGELXSA-N 1 1 309.330 -2.231 20 0 DAADMO NC(=O)c1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc(C2CC2)n1 ZINC001162443321 779857586 /nfs/dbraw/zinc/85/75/86/779857586.db2.gz GIHHNJASYLIBGI-OUJBWJOFSA-N 1 1 304.358 -2.050 20 0 DAADMO NS(=O)(=O)c1ccc(N2CN[C@@H]([NH3+])[C@@H]3NCN[C@@H]32)nn1 ZINC001162445736 779857963 /nfs/dbraw/zinc/85/79/63/779857963.db2.gz VPNJJLQIRYKDFN-DJLDLDEBSA-N 1 1 300.348 -3.379 20 0 DAADMO COC(=O)c1nc(Cl)cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162445042 779858124 /nfs/dbraw/zinc/85/81/24/779858124.db2.gz SAHAQMQQIJKOJA-KHQFGBGNSA-N 1 1 313.749 -1.587 20 0 DAADMO CNS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162445150 779858161 /nfs/dbraw/zinc/85/81/61/779858161.db2.gz FGCOZRNWWTWGFA-WCABBAIRSA-N 1 1 313.387 -2.513 20 0 DAADMO CNS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162445151 779858207 /nfs/dbraw/zinc/85/82/07/779858207.db2.gz FGCOZRNWWTWGFA-YWVKMMECSA-N 1 1 313.387 -2.513 20 0 DAADMO NS(=O)(=O)c1ccc(N2CN[C@@H]([NH3+])[C@H]3NCN[C@H]32)nn1 ZINC001162445737 779858308 /nfs/dbraw/zinc/85/83/08/779858308.db2.gz VPNJJLQIRYKDFN-HLTSFMKQSA-N 1 1 300.348 -3.379 20 0 DAADMO Cc1cc2c(c(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n1)C(=O)NC2=O ZINC001162445004 779858337 /nfs/dbraw/zinc/85/83/37/779858337.db2.gz DKKJEDLXJAMTRT-YWVKMMECSA-N 1 1 303.326 -2.229 20 0 DAADMO COC(=O)c1cc2c[nH]c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc-2n1 ZINC001162446111 779858550 /nfs/dbraw/zinc/85/85/50/779858550.db2.gz GPJOWZOWQHIMKY-RWMBFGLXSA-N 1 1 317.353 -1.154 20 0 DAADMO CNS(=O)(=O)c1cccnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162445148 779858635 /nfs/dbraw/zinc/85/86/35/779858635.db2.gz FGCOZRNWWTWGFA-ATZCPNFKSA-N 1 1 313.387 -2.513 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncc3ncnc(Cl)c3n2)[C@H]2NCN[C@@H]21 ZINC001162444395 779858674 /nfs/dbraw/zinc/85/86/74/779858674.db2.gz BJTQUFIPAAPEAG-SZEHBUNVSA-N 1 1 307.749 -1.430 20 0 DAADMO COC(=O)c1cc2c[nH]c(N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc-2n1 ZINC001162446109 779858826 /nfs/dbraw/zinc/85/88/26/779858826.db2.gz GPJOWZOWQHIMKY-AVGNSLFASA-N 1 1 317.353 -1.154 20 0 DAADMO CN1CCc2nc(Cl)nc(N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)c2C1 ZINC001162446077 779858841 /nfs/dbraw/zinc/85/88/41/779858841.db2.gz YBVUDDGZRXHONP-SCVCMEIPSA-N 1 1 324.820 -1.385 20 0 DAADMO NC(=O)c1cc2ccccc2c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1 ZINC001162446834 779859688 /nfs/dbraw/zinc/85/96/88/779859688.db2.gz JNDPWWIDGXPBCD-TYNCELHUSA-N 1 1 313.365 -1.169 20 0 DAADMO CCCNC(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162447628 779859905 /nfs/dbraw/zinc/85/99/05/779859905.db2.gz NPDXUBXJVHRGLT-NTZNESFSSA-N 1 1 305.386 -1.282 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(N3CCCCC3)ncn2)[C@H]2NCN[C@H]21 ZINC001162449651 779860381 /nfs/dbraw/zinc/86/03/81/779860381.db2.gz WQHFTYNOPCOMKO-BFHYXJOUSA-N 1 1 304.402 -1.036 20 0 DAADMO [NH3+][C@@H]1NCN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2NCN[C@@H]21 ZINC001162446216 779860582 /nfs/dbraw/zinc/86/05/82/779860582.db2.gz HMYSLIAOITUCSD-MGPQQGTHSA-N 1 1 317.397 -1.186 20 0 DAADMO NC(=O)c1cc2ccccc2c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1 ZINC001162446828 779860612 /nfs/dbraw/zinc/86/06/12/779860612.db2.gz JNDPWWIDGXPBCD-HUBLWGQQSA-N 1 1 313.365 -1.169 20 0 DAADMO [NH3+][C@@H]1NCN(c2cccc(N3CCOCC3)n2)[C@@H]2NCN[C@@H]21 ZINC001162449022 779860625 /nfs/dbraw/zinc/86/06/25/779860625.db2.gz SULIOJMQPCVVGM-MCIONIFRSA-N 1 1 305.386 -1.585 20 0 DAADMO CON(C)C(=O)c1cccnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162449246 779860638 /nfs/dbraw/zinc/86/06/38/779860638.db2.gz UNRRUNXAPDMCQO-JFGNBEQYSA-N 1 1 307.358 -1.788 20 0 DAADMO [NH3+][C@@H]1NCN(c2ncnc3c2ncn3C2CC2)[C@H]2NCN[C@@H]21 ZINC001162446381 779860805 /nfs/dbraw/zinc/86/08/05/779860805.db2.gz HOWRGGHFFRICHU-FBIMIBRVSA-N 1 1 301.358 -1.342 20 0 DAADMO CCc1noc(C[NH2+]CCCNC(=O)CN2CCNC(=O)C2)n1 ZINC001163883645 779871590 /nfs/dbraw/zinc/87/15/90/779871590.db2.gz OJUVYYRSZSDDAQ-UHFFFAOYSA-N 1 1 324.385 -1.340 20 0 DAADMO O=C1NCCN(c2cncc(N3CC[NH2+]CC3)n2)C12CNC2 ZINC001165298920 779881692 /nfs/dbraw/zinc/88/16/92/779881692.db2.gz YJGZOQHEPLQBLS-UHFFFAOYSA-N 1 1 303.370 -1.836 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001165731423 779887352 /nfs/dbraw/zinc/88/73/52/779887352.db2.gz AZNUYLQTQTZLPQ-SKDRFNHKSA-N 1 1 324.385 -1.573 20 0 DAADMO CN1CC(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)=NC1=O ZINC001165867117 779888751 /nfs/dbraw/zinc/88/87/51/779888751.db2.gz BQYZWBKAMJKYRP-UHFFFAOYSA-N 1 1 319.387 -1.616 20 0 DAADMO C[C@H]([NH2+]CC1(CCNC(=O)c2cnn[nH]2)CC1)C(=O)NC(N)=O ZINC001165956382 779889213 /nfs/dbraw/zinc/88/92/13/779889213.db2.gz YDWDGVSZBTUCHM-QMMMGPOBSA-N 1 1 323.357 -1.122 20 0 DAADMO C[C@@H]1C(=O)Nc2cnc(N3CC[NH2+][C@H](C(N)=O)C3)nc2N1C ZINC001166725701 779891794 /nfs/dbraw/zinc/89/17/94/779891794.db2.gz RCYOMUZTQRPIBH-APPZFPTMSA-N 1 1 305.342 -1.483 20 0 DAADMO NC(=O)[C@H]1CN(c2ncc(S(N)(=O)=O)cc2F)CC[NH2+]1 ZINC001166725213 779892394 /nfs/dbraw/zinc/89/23/94/779892394.db2.gz DWOUMAFZMGVEEE-MRVPVSSYSA-N 1 1 303.319 -1.868 20 0 DAADMO C[C@H]1C(=O)Nc2cnc(N3CC[NH2+][C@@H](C(N)=O)C3)nc2N1C ZINC001166725703 779892537 /nfs/dbraw/zinc/89/25/37/779892537.db2.gz RCYOMUZTQRPIBH-IONNQARKSA-N 1 1 305.342 -1.483 20 0 DAADMO CN(C)c1noc(C[NH2+]CC2(CCNC(=O)C(N)=O)CC2)n1 ZINC001166923865 779894979 /nfs/dbraw/zinc/89/49/79/779894979.db2.gz QRPSKSXCCWKIAM-UHFFFAOYSA-N 1 1 310.358 -1.003 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ncn[nH]2)C12CCC2 ZINC001203499458 779895942 /nfs/dbraw/zinc/89/59/42/779895942.db2.gz GLXCUENVXRFAQH-YUMQZZPRSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 ZINC001203499458 779895950 /nfs/dbraw/zinc/89/59/50/779895950.db2.gz GLXCUENVXRFAQH-YUMQZZPRSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2ncn[nH]2)C12CCC2 ZINC001203499457 779896120 /nfs/dbraw/zinc/89/61/20/779896120.db2.gz GLXCUENVXRFAQH-SFYZADRCSA-N 1 1 321.341 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)c2nc[nH]n2)C12CCC2 ZINC001203499457 779896125 /nfs/dbraw/zinc/89/61/25/779896125.db2.gz GLXCUENVXRFAQH-SFYZADRCSA-N 1 1 321.341 -1.370 20 0 DAADMO C[C@H](NC(=O)C1(C(N)=O)CC1)C1C[NH+](CC(=O)NC2CC2)C1 ZINC001276423946 779898234 /nfs/dbraw/zinc/89/82/34/779898234.db2.gz XLUXRGJIFWZSQW-VIFPVBQESA-N 1 1 308.382 -1.033 20 0 DAADMO CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001204326519 779900280 /nfs/dbraw/zinc/90/02/80/779900280.db2.gz YDDRLCZVRRSMRR-UHFFFAOYSA-N 1 1 309.374 -1.326 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001205707434 779902655 /nfs/dbraw/zinc/90/26/55/779902655.db2.gz BYZWCYSFBVWKNL-GHMZBOCLSA-N 1 1 307.416 -1.039 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001205707434 779902659 /nfs/dbraw/zinc/90/26/59/779902659.db2.gz BYZWCYSFBVWKNL-GHMZBOCLSA-N 1 1 307.416 -1.039 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001205757393 779904020 /nfs/dbraw/zinc/90/40/20/779904020.db2.gz ZJQIVFNLSWJGCS-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001205757393 779904024 /nfs/dbraw/zinc/90/40/24/779904024.db2.gz ZJQIVFNLSWJGCS-ZYHUDNBSSA-N 1 1 319.427 -1.006 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001205823242 779904581 /nfs/dbraw/zinc/90/45/81/779904581.db2.gz WRWQXQZETPLPFK-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001205823242 779904584 /nfs/dbraw/zinc/90/45/84/779904584.db2.gz WRWQXQZETPLPFK-VXNVDRBHSA-N 1 1 322.325 -1.573 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205865751 779904972 /nfs/dbraw/zinc/90/49/72/779904972.db2.gz UQGSVPPOZLVKQA-NQMVMOMDSA-N 1 1 313.358 -1.858 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001205865751 779904976 /nfs/dbraw/zinc/90/49/76/779904976.db2.gz UQGSVPPOZLVKQA-NQMVMOMDSA-N 1 1 313.358 -1.858 20 0 DAADMO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937477 779905913 /nfs/dbraw/zinc/90/59/13/779905913.db2.gz RRFLTIKCVDVCFV-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205937477 779905917 /nfs/dbraw/zinc/90/59/17/779905917.db2.gz RRFLTIKCVDVCFV-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937499 779905942 /nfs/dbraw/zinc/90/59/42/779905942.db2.gz SRSDBZLVYZQJES-RNFRBKRXSA-N 1 1 300.319 -2.714 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205937499 779905946 /nfs/dbraw/zinc/90/59/46/779905946.db2.gz SRSDBZLVYZQJES-RNFRBKRXSA-N 1 1 300.319 -2.714 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205922551 779906153 /nfs/dbraw/zinc/90/61/53/779906153.db2.gz ZVRNCVMOIGFRLK-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001205922551 779906159 /nfs/dbraw/zinc/90/61/59/779906159.db2.gz ZVRNCVMOIGFRLK-MWLCHTKSSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CNC(N)=O ZINC001205944006 779906530 /nfs/dbraw/zinc/90/65/30/779906530.db2.gz JVFCNCFVBAMCGZ-NXEZZACHSA-N 1 1 312.374 -1.884 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205922059 779906547 /nfs/dbraw/zinc/90/65/47/779906547.db2.gz QUCUVFVXFAFVJE-FXPVBKGRSA-N 1 1 311.386 -1.242 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205922059 779906552 /nfs/dbraw/zinc/90/65/52/779906552.db2.gz QUCUVFVXFAFVJE-FXPVBKGRSA-N 1 1 311.386 -1.242 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001206131264 779907519 /nfs/dbraw/zinc/90/75/19/779907519.db2.gz ZEBYRHMTBXMYBI-DGCLKSJQSA-N 1 1 301.387 -1.090 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001206210160 779907726 /nfs/dbraw/zinc/90/77/26/779907726.db2.gz RDWMDOQTKGNKCR-RAIGVLPGSA-N 1 1 313.398 -1.044 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C ZINC001206300200 779907995 /nfs/dbraw/zinc/90/79/95/779907995.db2.gz BDBXCELADORVCD-NXEZZACHSA-N 1 1 300.359 -1.133 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C ZINC001206300200 779907999 /nfs/dbraw/zinc/90/79/99/779907999.db2.gz BDBXCELADORVCD-NXEZZACHSA-N 1 1 300.359 -1.133 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001206301853 779908128 /nfs/dbraw/zinc/90/81/28/779908128.db2.gz XZNINOKXDNJYPK-GHMZBOCLSA-N 1 1 303.359 -1.212 20 0 DAADMO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206209577 779908253 /nfs/dbraw/zinc/90/82/53/779908253.db2.gz IMYZBDAYCKWGJD-YUSALJHKSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206209577 779908260 /nfs/dbraw/zinc/90/82/60/779908260.db2.gz IMYZBDAYCKWGJD-YUSALJHKSA-N 1 1 308.382 -1.162 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001206867031 779910459 /nfs/dbraw/zinc/91/04/59/779910459.db2.gz HDXQWYXDJOWKQO-FRRDWIJNSA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC(N)=O ZINC001206698316 779910967 /nfs/dbraw/zinc/91/09/67/779910967.db2.gz FTWMSQABSKRHIU-IJLUTSLNSA-N 1 1 309.370 -1.444 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC(N)=O ZINC001206746577 779911038 /nfs/dbraw/zinc/91/10/38/779911038.db2.gz KLKVFPAGGBKLHY-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)CC(N)=O ZINC001206746577 779911040 /nfs/dbraw/zinc/91/10/40/779911040.db2.gz KLKVFPAGGBKLHY-GHMZBOCLSA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726817 779911266 /nfs/dbraw/zinc/91/12/66/779911266.db2.gz UVIOVOQGQWLQFF-IWSPIJDZSA-N 1 1 313.358 -1.858 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206726817 779911271 /nfs/dbraw/zinc/91/12/71/779911271.db2.gz UVIOVOQGQWLQFF-IWSPIJDZSA-N 1 1 313.358 -1.858 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882697 779912207 /nfs/dbraw/zinc/91/22/07/779912207.db2.gz YPLJVJHKTMAICX-GMTAPVOTSA-N 1 1 313.358 -1.573 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001206882698 779912483 /nfs/dbraw/zinc/91/24/83/779912483.db2.gz YPLJVJHKTMAICX-OUAUKWLOSA-N 1 1 313.358 -1.573 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001206890868 779912823 /nfs/dbraw/zinc/91/28/23/779912823.db2.gz LWXLIUVVIQWUPK-VXGBXAGGSA-N 1 1 301.387 -1.042 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001206881045 779912992 /nfs/dbraw/zinc/91/29/92/779912992.db2.gz NYGHEIRJMPASLY-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001206881045 779912997 /nfs/dbraw/zinc/91/29/97/779912997.db2.gz NYGHEIRJMPASLY-CHWSQXEVSA-N 1 1 312.414 -1.109 20 0 DAADMO CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)C1 ZINC001206899648 779913095 /nfs/dbraw/zinc/91/30/95/779913095.db2.gz SIAIIWQEKACIBT-BXUZGUMPSA-N 1 1 313.398 -1.090 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001206919174 779913648 /nfs/dbraw/zinc/91/36/48/779913648.db2.gz KWZYNFHICJCBPQ-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CCc1ncc[nH]1 ZINC001206919174 779913656 /nfs/dbraw/zinc/91/36/56/779913656.db2.gz KWZYNFHICJCBPQ-NXEZZACHSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206904270 779913980 /nfs/dbraw/zinc/91/39/80/779913980.db2.gz MYOWAPXJGQAERG-GJMOJQLCSA-N 1 1 314.346 -2.325 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001206904270 779913986 /nfs/dbraw/zinc/91/39/86/779913986.db2.gz MYOWAPXJGQAERG-GJMOJQLCSA-N 1 1 314.346 -2.325 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001206903303 779914691 /nfs/dbraw/zinc/91/46/91/779914691.db2.gz WIOVZIIRJKILLF-OPRDCNLKSA-N 1 1 310.354 -1.636 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206932774 779915512 /nfs/dbraw/zinc/91/55/12/779915512.db2.gz RCJYARIZDSICAD-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206932774 779915517 /nfs/dbraw/zinc/91/55/17/779915517.db2.gz RCJYARIZDSICAD-HRDYMLBCSA-N 1 1 323.357 -1.551 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001206970227 779915674 /nfs/dbraw/zinc/91/56/74/779915674.db2.gz IBVOVRXUQUGVKP-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001206933824 779916080 /nfs/dbraw/zinc/91/60/80/779916080.db2.gz JQAIRRGFGQXDRM-IJLUTSLNSA-N 1 1 316.402 -1.251 20 0 DAADMO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976910 779916178 /nfs/dbraw/zinc/91/61/78/779916178.db2.gz JWXZTLBMMZEWLA-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206976910 779916183 /nfs/dbraw/zinc/91/61/83/779916183.db2.gz JWXZTLBMMZEWLA-VXGBXAGGSA-N 1 1 323.401 -1.118 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206978050 779917210 /nfs/dbraw/zinc/91/72/10/779917210.db2.gz KOPHYXXNWDEPCI-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206978050 779917214 /nfs/dbraw/zinc/91/72/14/779917214.db2.gz KOPHYXXNWDEPCI-ZYHUDNBSSA-N 1 1 321.385 -1.364 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978135 779917302 /nfs/dbraw/zinc/91/73/02/779917302.db2.gz OEOOGIYQNRPWJS-GHMZBOCLSA-N 1 1 309.374 -1.366 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978135 779917304 /nfs/dbraw/zinc/91/73/04/779917304.db2.gz OEOOGIYQNRPWJS-GHMZBOCLSA-N 1 1 309.374 -1.366 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001207101624 779917520 /nfs/dbraw/zinc/91/75/20/779917520.db2.gz ZLMZNGFMOYDIEI-ADEWGFFLSA-N 1 1 320.411 -1.525 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001207101624 779917527 /nfs/dbraw/zinc/91/75/27/779917527.db2.gz ZLMZNGFMOYDIEI-ADEWGFFLSA-N 1 1 320.411 -1.525 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978230 779917736 /nfs/dbraw/zinc/91/77/36/779917736.db2.gz SAZYDTRXJHCOPC-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206978230 779917741 /nfs/dbraw/zinc/91/77/41/779917741.db2.gz SAZYDTRXJHCOPC-VXGBXAGGSA-N 1 1 323.401 -1.024 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001207000919 779917758 /nfs/dbraw/zinc/91/77/58/779917758.db2.gz OWYCNLAUSLWPFD-PUXPGTEJSA-N 1 1 310.354 -1.346 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001207000919 779917761 /nfs/dbraw/zinc/91/77/61/779917761.db2.gz OWYCNLAUSLWPFD-PUXPGTEJSA-N 1 1 310.354 -1.346 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001207289718 779920092 /nfs/dbraw/zinc/92/00/92/779920092.db2.gz ACEPMERTCLATLQ-GHMZBOCLSA-N 1 1 314.386 -1.678 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001207289718 779920094 /nfs/dbraw/zinc/92/00/94/779920094.db2.gz ACEPMERTCLATLQ-GHMZBOCLSA-N 1 1 314.386 -1.678 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207299148 779920276 /nfs/dbraw/zinc/92/02/76/779920276.db2.gz WLPAZFNTWRLBKG-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001207299148 779920278 /nfs/dbraw/zinc/92/02/78/779920278.db2.gz WLPAZFNTWRLBKG-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CNC(N)=O)C1)c1nnnn1C ZINC001207268645 779920360 /nfs/dbraw/zinc/92/03/60/779920360.db2.gz XEBRXWYDWJKXFV-BDAKNGLRSA-N 1 1 310.362 -1.480 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207290213 779920437 /nfs/dbraw/zinc/92/04/37/779920437.db2.gz VMOVDOBORSNEGE-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207290213 779920440 /nfs/dbraw/zinc/92/04/40/779920440.db2.gz VMOVDOBORSNEGE-NXEZZACHSA-N 1 1 300.359 -1.939 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207299292 779920470 /nfs/dbraw/zinc/92/04/70/779920470.db2.gz XXAFJJAETYVPFQ-GMTAPVOTSA-N 1 1 314.386 -1.551 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001207299292 779920475 /nfs/dbraw/zinc/92/04/75/779920475.db2.gz XXAFJJAETYVPFQ-GMTAPVOTSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207297899 779920538 /nfs/dbraw/zinc/92/05/38/779920538.db2.gz IHTKCMPURGSDMH-GHMZBOCLSA-N 1 1 307.416 -1.255 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1C ZINC001207384624 779921224 /nfs/dbraw/zinc/92/12/24/779921224.db2.gz RRYPWNLXCMHIND-OUAUKWLOSA-N 1 1 313.402 -1.171 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001207330874 779921391 /nfs/dbraw/zinc/92/13/91/779921391.db2.gz GPNCHELAXSBHII-IJLUTSLNSA-N 1 1 301.387 -1.044 20 0 DAADMO COCCOCC(=O)N1CC[C@]2(C1)C[N@H+](CCO)CCO2 ZINC001276531762 779921582 /nfs/dbraw/zinc/92/15/82/779921582.db2.gz GKZDDBDPIKXYDH-CQSZACIVSA-N 1 1 302.371 -1.055 20 0 DAADMO COCCOCC(=O)N1CC[C@]2(C1)C[N@@H+](CCO)CCO2 ZINC001276531762 779921585 /nfs/dbraw/zinc/92/15/85/779921585.db2.gz GKZDDBDPIKXYDH-CQSZACIVSA-N 1 1 302.371 -1.055 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207376666 779922009 /nfs/dbraw/zinc/92/20/09/779922009.db2.gz RMXKXXGPFZTVGO-HTQZYQBOSA-N 1 1 314.346 -2.453 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207376666 779922016 /nfs/dbraw/zinc/92/20/16/779922016.db2.gz RMXKXXGPFZTVGO-HTQZYQBOSA-N 1 1 314.346 -2.453 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001207376208 779922259 /nfs/dbraw/zinc/92/22/59/779922259.db2.gz ISVDKIYBWJWYEU-GHMZBOCLSA-N 1 1 302.375 -1.639 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC001207628627 779923268 /nfs/dbraw/zinc/92/32/68/779923268.db2.gz JGYWTKFDOGVZIA-JHJVBQTASA-N 1 1 313.398 -1.042 20 0 DAADMO C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546826 779923869 /nfs/dbraw/zinc/92/38/69/779923869.db2.gz BCLUAKDGNRLROU-JHJVBQTASA-N 1 1 322.413 -1.265 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207649733 779924019 /nfs/dbraw/zinc/92/40/19/779924019.db2.gz FBHFFCQJBAXPRB-GHMZBOCLSA-N 1 1 301.387 -1.057 20 0 DAADMO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001207727947 779924970 /nfs/dbraw/zinc/92/49/70/779924970.db2.gz KROLYPDKNQZGJR-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001207727947 779924980 /nfs/dbraw/zinc/92/49/80/779924980.db2.gz KROLYPDKNQZGJR-VXGBXAGGSA-N 1 1 322.427 -1.134 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001207731307 779925145 /nfs/dbraw/zinc/92/51/45/779925145.db2.gz HTPSSCDRXMYRJU-LLVKDONJSA-N 1 1 322.369 -1.012 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001207763396 779926294 /nfs/dbraw/zinc/92/62/94/779926294.db2.gz CECICIIBTKVXHC-VIFPVBQESA-N 1 1 323.357 -1.487 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001207740670 779926488 /nfs/dbraw/zinc/92/64/88/779926488.db2.gz ZGUAMRDKODKTCB-CKYFFXLPSA-N 1 1 314.386 -1.944 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001207800176 779926552 /nfs/dbraw/zinc/92/65/52/779926552.db2.gz MHMGWAVITBODJL-OPRDCNLKSA-N 1 1 323.340 -1.189 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207893044 779929094 /nfs/dbraw/zinc/92/90/94/779929094.db2.gz FKMUFGLGGYXRDQ-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001207893044 779929097 /nfs/dbraw/zinc/92/90/97/779929097.db2.gz FKMUFGLGGYXRDQ-GHMZBOCLSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)NCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001207983974 779929916 /nfs/dbraw/zinc/92/99/16/779929916.db2.gz ZKGFXCNRNSCKNF-SNVBAGLBSA-N 1 1 324.389 -1.390 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@H]1C ZINC001208139192 779932967 /nfs/dbraw/zinc/93/29/67/779932967.db2.gz SYEVZKSGBJHIFB-OUAUKWLOSA-N 1 1 322.431 -1.488 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@H]1C ZINC001208138010 779933057 /nfs/dbraw/zinc/93/30/57/779933057.db2.gz GLVZHRGBKYIALD-OUAUKWLOSA-N 1 1 322.431 -1.488 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001208139512 779933762 /nfs/dbraw/zinc/93/37/62/779933762.db2.gz YYRNWFNGKPOXNZ-NXEZZACHSA-N 1 1 310.395 -1.164 20 0 DAADMO C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001208054511 779933891 /nfs/dbraw/zinc/93/38/91/779933891.db2.gz GLPUSGBTUYWJMO-LALPHHSUSA-N 1 1 313.398 -1.042 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@H]1C ZINC001208138592 779933955 /nfs/dbraw/zinc/93/39/55/779933955.db2.gz LPDQEDNWZFCMIN-GHMZBOCLSA-N 1 1 322.431 -1.487 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001208074258 779933961 /nfs/dbraw/zinc/93/39/61/779933961.db2.gz RUZKRNYWRYFSCI-NXEZZACHSA-N 1 1 310.358 -2.106 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001208074258 779933964 /nfs/dbraw/zinc/93/39/64/779933964.db2.gz RUZKRNYWRYFSCI-NXEZZACHSA-N 1 1 310.358 -2.106 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001208279295 779935830 /nfs/dbraw/zinc/93/58/30/779935830.db2.gz MTQLDMANLYXEIJ-JTQLQIEISA-N 1 1 309.374 -1.175 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001208286609 779936198 /nfs/dbraw/zinc/93/61/98/779936198.db2.gz YPTWPAUMRWSDKG-VHSXEESVSA-N 1 1 324.389 -1.219 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001208275725 779936216 /nfs/dbraw/zinc/93/62/16/779936216.db2.gz UTCRUYXMMBWEML-FTLITQJKSA-N 1 1 323.357 -1.253 20 0 DAADMO Cc1nn[nH]c1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001208275725 779936219 /nfs/dbraw/zinc/93/62/19/779936219.db2.gz UTCRUYXMMBWEML-FTLITQJKSA-N 1 1 323.357 -1.253 20 0 DAADMO CNC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001208279144 779936588 /nfs/dbraw/zinc/93/65/88/779936588.db2.gz ITXYEXQORXDODO-VIFPVBQESA-N 1 1 310.362 -1.780 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001208297954 779937084 /nfs/dbraw/zinc/93/70/84/779937084.db2.gz ACFWEMSHLPSUMF-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001208297954 779937088 /nfs/dbraw/zinc/93/70/88/779937088.db2.gz ACFWEMSHLPSUMF-GMTAPVOTSA-N 1 1 311.386 -1.417 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208356738 779937111 /nfs/dbraw/zinc/93/71/11/779937111.db2.gz AFDJQNAPZAVXMH-HMUNZLOLSA-N 1 1 324.381 -1.229 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001208356738 779937116 /nfs/dbraw/zinc/93/71/16/779937116.db2.gz AFDJQNAPZAVXMH-HMUNZLOLSA-N 1 1 324.381 -1.229 20 0 DAADMO C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001208347959 779937245 /nfs/dbraw/zinc/93/72/45/779937245.db2.gz QDPITKOCALKHCU-MWLCHTKSSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001208347959 779937249 /nfs/dbraw/zinc/93/72/49/779937249.db2.gz QDPITKOCALKHCU-MWLCHTKSSA-N 1 1 321.385 -1.214 20 0 DAADMO C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC001208455147 779940530 /nfs/dbraw/zinc/94/05/30/779940530.db2.gz DOSNYFUCXLYMFS-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455297 779940568 /nfs/dbraw/zinc/94/05/68/779940568.db2.gz JPCMHADLSASPBS-OUAUKWLOSA-N 1 1 314.386 -1.551 20 0 DAADMO COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208455297 779940573 /nfs/dbraw/zinc/94/05/73/779940573.db2.gz JPCMHADLSASPBS-OUAUKWLOSA-N 1 1 314.386 -1.551 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208464753 779940775 /nfs/dbraw/zinc/94/07/75/779940775.db2.gz PIJFYAWJAZOXAU-GHMZBOCLSA-N 1 1 307.416 -1.126 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001208899242 779943853 /nfs/dbraw/zinc/94/38/53/779943853.db2.gz BGFPBBUXVFRSAX-VIFPVBQESA-N 1 1 323.357 -1.237 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001208910874 779944034 /nfs/dbraw/zinc/94/40/34/779944034.db2.gz VJKSBZYPVVRNKP-BDAKNGLRSA-N 1 1 323.357 -1.109 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2[nH]nnc2C)C1 ZINC001208899237 779944169 /nfs/dbraw/zinc/94/41/69/779944169.db2.gz BGFPBBUXVFRSAX-SECBINFHSA-N 1 1 323.357 -1.237 20 0 DAADMO CNC(=O)NCC(=O)N[C@H]1C[N@@H+](CCOCCO)CC1(C)C ZINC001276586194 779944180 /nfs/dbraw/zinc/94/41/80/779944180.db2.gz DNAAKMXAKQPKLC-NSHDSACASA-N 1 1 316.402 -1.249 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)CC1(C)C ZINC001276586193 779944297 /nfs/dbraw/zinc/94/42/97/779944297.db2.gz DNAAKMXAKQPKLC-LLVKDONJSA-N 1 1 316.402 -1.249 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001208976236 779944793 /nfs/dbraw/zinc/94/47/93/779944793.db2.gz GXZQICVCVKLGEL-NXEZZACHSA-N 1 1 309.374 -1.198 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001208971248 779944877 /nfs/dbraw/zinc/94/48/77/779944877.db2.gz MSCRJWSLRVDULM-GHMZBOCLSA-N 1 1 322.431 -1.799 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208985109 779945420 /nfs/dbraw/zinc/94/54/20/779945420.db2.gz NZDLKEKZDVHVBX-GMTAPVOTSA-N 1 1 322.431 -1.800 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)O1 ZINC001209271048 779947526 /nfs/dbraw/zinc/94/75/26/779947526.db2.gz PHPKGOZNRUSAOW-WPLOAARJSA-N 1 1 319.398 -1.075 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](O)[C@@H](CO)C2)O1 ZINC001209269746 779947681 /nfs/dbraw/zinc/94/76/81/779947681.db2.gz AUAAYTXPGAYWOE-RXGFPQBGSA-N 1 1 305.371 -1.465 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C)C(N)=O ZINC001209198478 779948114 /nfs/dbraw/zinc/94/81/14/779948114.db2.gz RGABGMJCBRDPMC-ADEWGFFLSA-N 1 1 314.386 -1.815 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)O1 ZINC001209271462 779948675 /nfs/dbraw/zinc/94/86/75/779948675.db2.gz WFFFOIZREKRXKO-KDBYPZKRSA-N 1 1 319.398 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001209275305 779949091 /nfs/dbraw/zinc/94/90/91/779949091.db2.gz SBLRZJPQWMDBIR-GRYCIOLGSA-N 1 1 301.387 -1.092 20 0 DAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)O1 ZINC001209271463 779949145 /nfs/dbraw/zinc/94/91/45/779949145.db2.gz WFFFOIZREKRXKO-NLRWUALESA-N 1 1 319.398 -1.075 20 0 DAADMO Cn1ncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCNC2=O)C2CC2)n1 ZINC001276633109 779950786 /nfs/dbraw/zinc/95/07/86/779950786.db2.gz CLBKNRAXDSELHP-NEPJUHHUSA-N 1 1 306.370 -1.064 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001209455893 779953348 /nfs/dbraw/zinc/95/33/48/779953348.db2.gz DEIKQHKCOWUNCS-MXWKQRLJSA-N 1 1 308.382 -1.162 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001209455893 779953351 /nfs/dbraw/zinc/95/33/51/779953351.db2.gz DEIKQHKCOWUNCS-MXWKQRLJSA-N 1 1 308.382 -1.162 20 0 DAADMO COC[C@@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001209542850 779954451 /nfs/dbraw/zinc/95/44/51/779954451.db2.gz DEQOAYARXMRTJN-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001209555228 779954483 /nfs/dbraw/zinc/95/44/83/779954483.db2.gz XVVWLJLJPWFWNY-GRYCIOLGSA-N 1 1 324.381 -1.256 20 0 DAADMO COC[C@H](OC)C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001209542851 779954658 /nfs/dbraw/zinc/95/46/58/779954658.db2.gz DEQOAYARXMRTJN-MNOVXSKESA-N 1 1 312.374 -1.048 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001209722504 779956200 /nfs/dbraw/zinc/95/62/00/779956200.db2.gz HDPHRICTWKEWDD-MXWKQRLJSA-N 1 1 309.374 -1.236 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC001209824426 779956922 /nfs/dbraw/zinc/95/69/22/779956922.db2.gz YELOSELXZUSADH-RAIGVLPGSA-N 1 1 313.398 -1.044 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209740604 779957033 /nfs/dbraw/zinc/95/70/33/779957033.db2.gz HQQVKDALFZEXRA-KXUCPTDWSA-N 1 1 322.369 -1.028 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001209740604 779957043 /nfs/dbraw/zinc/95/70/43/779957043.db2.gz HQQVKDALFZEXRA-KXUCPTDWSA-N 1 1 322.369 -1.028 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001209912285 779958056 /nfs/dbraw/zinc/95/80/56/779958056.db2.gz ITFDEZAGMZMHRC-GHMZBOCLSA-N 1 1 307.416 -1.303 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001209904771 779958122 /nfs/dbraw/zinc/95/81/22/779958122.db2.gz ZLUJJWXDDWGZGK-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001209904771 779958130 /nfs/dbraw/zinc/95/81/30/779958130.db2.gz ZLUJJWXDDWGZGK-NXEZZACHSA-N 1 1 320.415 -1.810 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001210173244 779960300 /nfs/dbraw/zinc/96/03/00/779960300.db2.gz UFAUOAVEXPUPOV-IWSPIJDZSA-N 1 1 323.357 -1.633 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001210173244 779960302 /nfs/dbraw/zinc/96/03/02/779960302.db2.gz UFAUOAVEXPUPOV-IWSPIJDZSA-N 1 1 323.357 -1.633 20 0 DAADMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001210118680 779960456 /nfs/dbraw/zinc/96/04/56/779960456.db2.gz RGPJQMKTPHZVFL-OUAUKWLOSA-N 1 1 309.374 -1.366 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001210514464 779963254 /nfs/dbraw/zinc/96/32/54/779963254.db2.gz TXSSMWMAXCMJPW-GHMZBOCLSA-N 1 1 313.402 -1.040 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210898254 779964696 /nfs/dbraw/zinc/96/46/96/779964696.db2.gz SBBPPPNUICXFQM-MXWKQRLJSA-N 1 1 311.386 -1.288 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCNC(N)=O ZINC001210889965 779964849 /nfs/dbraw/zinc/96/48/49/779964849.db2.gz BVXQIVATNSAQCF-MXWKQRLJSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001210891652 779965550 /nfs/dbraw/zinc/96/55/50/779965550.db2.gz UXMFXUQMZHHOBO-MWLCHTKSSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCNC(N)=O ZINC001210891652 779965554 /nfs/dbraw/zinc/96/55/54/779965554.db2.gz UXMFXUQMZHHOBO-MWLCHTKSSA-N 1 1 311.386 -1.240 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCNC(N)=O)C1)c1nnnn1C ZINC001211001097 779966165 /nfs/dbraw/zinc/96/61/65/779966165.db2.gz KQAOXMYDXDVYCL-NXEZZACHSA-N 1 1 324.389 -1.090 20 0 DAADMO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211025287 779967044 /nfs/dbraw/zinc/96/70/44/779967044.db2.gz IQODZKDUDMWOHU-GMTAPVOTSA-N 1 1 311.386 -1.431 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211088886 779968132 /nfs/dbraw/zinc/96/81/32/779968132.db2.gz NUSVSSPXBMFYGP-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001211088886 779968134 /nfs/dbraw/zinc/96/81/34/779968134.db2.gz NUSVSSPXBMFYGP-OPRDCNLKSA-N 1 1 320.415 -1.764 20 0 DAADMO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211301046 779969122 /nfs/dbraw/zinc/96/91/22/779969122.db2.gz RPAXVVJUODZEGA-NXEZZACHSA-N 1 1 323.357 -2.684 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CNC(=O)Cn1cncn1 ZINC001211301046 779969126 /nfs/dbraw/zinc/96/91/26/779969126.db2.gz RPAXVVJUODZEGA-NXEZZACHSA-N 1 1 323.357 -2.684 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001211389155 779969674 /nfs/dbraw/zinc/96/96/74/779969674.db2.gz KYLGUXBQCCCZBD-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001211389155 779969717 /nfs/dbraw/zinc/96/97/17/779969717.db2.gz KYLGUXBQCCCZBD-GHMZBOCLSA-N 1 1 323.397 -1.090 20 0 DAADMO COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001211299947 779970194 /nfs/dbraw/zinc/97/01/94/779970194.db2.gz DPAKCGMCNINSGT-VXGBXAGGSA-N 1 1 324.385 -1.523 20 0 DAADMO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)Cn2cncn2)C1 ZINC001211300006 779970330 /nfs/dbraw/zinc/97/03/30/779970330.db2.gz GZCJSAIQUNQUTN-GRYCIOLGSA-N 1 1 324.385 -1.788 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@H](OC)C1 ZINC001213226380 779970905 /nfs/dbraw/zinc/97/09/05/779970905.db2.gz MCFUGYBAGXCGPX-FXPVBKGRSA-N 1 1 316.383 -1.026 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@H](OC)C1 ZINC001213226380 779970909 /nfs/dbraw/zinc/97/09/09/779970909.db2.gz MCFUGYBAGXCGPX-FXPVBKGRSA-N 1 1 316.383 -1.026 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1[nH]nnc1C ZINC001213250727 779972205 /nfs/dbraw/zinc/97/22/05/779972205.db2.gz JKFGNGLBNMZXBG-GHMZBOCLSA-N 1 1 313.358 -1.449 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1[nH]nnc1C ZINC001213250727 779972208 /nfs/dbraw/zinc/97/22/08/779972208.db2.gz JKFGNGLBNMZXBG-GHMZBOCLSA-N 1 1 313.358 -1.449 20 0 DAADMO CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001213275703 779973151 /nfs/dbraw/zinc/97/31/51/779973151.db2.gz PLAQEHXVZRIJQL-GMTAPVOTSA-N 1 1 312.374 -1.200 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@H](OC)C1 ZINC001213265267 779973478 /nfs/dbraw/zinc/97/34/78/779973478.db2.gz YUVPODSWDLWLDX-AAVRWANBSA-N 1 1 315.414 -1.097 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001213344450 779973564 /nfs/dbraw/zinc/97/35/64/779973564.db2.gz RLIFCCUXCLIJNA-GMTAPVOTSA-N 1 1 316.358 -2.508 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001213353052 779974935 /nfs/dbraw/zinc/97/49/35/779974935.db2.gz OOXAUTPQECLVGU-QJPTWQEYSA-N 1 1 315.370 -1.517 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](OC)C1 ZINC001213355142 779975159 /nfs/dbraw/zinc/97/51/59/779975159.db2.gz JWPGLGVRCNPNLG-GHMZBOCLSA-N 1 1 323.415 -1.483 20 0 DAADMO CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C(N)=O ZINC001213352789 779975248 /nfs/dbraw/zinc/97/52/48/779975248.db2.gz DOGMAAAMDCIOJB-IJLUTSLNSA-N 1 1 315.370 -1.517 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C(N)=O ZINC001213352789 779975261 /nfs/dbraw/zinc/97/52/61/779975261.db2.gz DOGMAAAMDCIOJB-IJLUTSLNSA-N 1 1 315.370 -1.517 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](OC)C1 ZINC001213366717 779975692 /nfs/dbraw/zinc/97/56/92/779975692.db2.gz DXJSCDXNPXKJLF-GMTAPVOTSA-N 1 1 315.370 -1.925 20 0 DAADMO CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213354991 779975780 /nfs/dbraw/zinc/97/57/80/779975780.db2.gz BYXUSUKKHGWWPZ-VXGBXAGGSA-N 1 1 321.381 -1.036 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@H](OC)C1 ZINC001213480929 779976749 /nfs/dbraw/zinc/97/67/49/779976749.db2.gz POTQHCUDYIAVFJ-JHJVBQTASA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC001213474343 779976887 /nfs/dbraw/zinc/97/68/87/779976887.db2.gz AXTOBPZLHXHQKE-CHWSQXEVSA-N 1 1 322.365 -1.381 20 0 DAADMO CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001213537998 779978692 /nfs/dbraw/zinc/97/86/92/779978692.db2.gz ZVQDBEFLWDEBKX-QJPTWQEYSA-N 1 1 314.386 -1.410 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](OC)C1 ZINC001213537083 779978885 /nfs/dbraw/zinc/97/88/85/779978885.db2.gz DAORYVUXUDMDKL-HBNTYKKESA-N 1 1 300.359 -1.798 20 0 DAADMO CCC[N@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](OC)C1 ZINC001213537601 779978950 /nfs/dbraw/zinc/97/89/50/779978950.db2.gz NXQSPIJFYUBUOL-QJPTWQEYSA-N 1 1 314.386 -1.408 20 0 DAADMO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](OC)C1 ZINC001213547623 779979229 /nfs/dbraw/zinc/97/92/29/779979229.db2.gz ZAPCYEKOCSWJIJ-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)N(C)C)[C@H](OC)C1 ZINC001213547623 779979235 /nfs/dbraw/zinc/97/92/35/779979235.db2.gz ZAPCYEKOCSWJIJ-OUAUKWLOSA-N 1 1 314.386 -1.456 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001213491672 779979433 /nfs/dbraw/zinc/97/94/33/779979433.db2.gz UWIMLGGDOVVOCE-OPRDCNLKSA-N 1 1 309.388 -2.268 20 0 DAADMO CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581459 779980190 /nfs/dbraw/zinc/98/01/90/779980190.db2.gz YACUKMRSFLDQBJ-QJPTWQEYSA-N 1 1 314.386 -1.408 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cccnn1 ZINC001213606537 779980535 /nfs/dbraw/zinc/98/05/35/779980535.db2.gz QTADFWNYEPIZFH-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cccnn1 ZINC001213606537 779980539 /nfs/dbraw/zinc/98/05/39/779980539.db2.gz QTADFWNYEPIZFH-CHWSQXEVSA-N 1 1 310.354 -1.086 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 ZINC001213597125 779981375 /nfs/dbraw/zinc/98/13/75/779981375.db2.gz VRNIXFMUCAWVAK-JMJZKYOTSA-N 1 1 300.315 -1.494 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@H](OC)C1 ZINC001213597125 779981380 /nfs/dbraw/zinc/98/13/80/779981380.db2.gz VRNIXFMUCAWVAK-JMJZKYOTSA-N 1 1 300.315 -1.494 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cccnn2)[C@H](OC)C1 ZINC001213606776 779981492 /nfs/dbraw/zinc/98/14/92/779981492.db2.gz YPGZXSDPKCKCRW-CYZMBNFOSA-N 1 1 310.354 -1.087 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@H](OC)C1 ZINC001213613858 779981521 /nfs/dbraw/zinc/98/15/21/779981521.db2.gz DDJHSIIUUWEYIK-VXGBXAGGSA-N 1 1 312.374 -1.085 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncccn2)[C@H](OC)C1 ZINC001213602307 779981636 /nfs/dbraw/zinc/98/16/36/779981636.db2.gz FISALLWPEIWJPM-QJPTWQEYSA-N 1 1 310.354 -1.087 20 0 DAADMO CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCc1ncnn1C ZINC001213655210 779982250 /nfs/dbraw/zinc/98/22/50/779982250.db2.gz ILKAQFJWPRVPEN-GHMZBOCLSA-N 1 1 313.358 -1.861 20 0 DAADMO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213793588 779982277 /nfs/dbraw/zinc/98/22/77/779982277.db2.gz GSLORFBMPSEHIV-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001213793588 779982285 /nfs/dbraw/zinc/98/22/85/779982285.db2.gz GSLORFBMPSEHIV-GHMZBOCLSA-N 1 1 323.415 -1.924 20 0 DAADMO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCn1cnccc1=O ZINC001213644839 779983471 /nfs/dbraw/zinc/98/34/71/779983471.db2.gz GONMWCQVIOLPMT-YNEHKIRRSA-N 1 1 324.381 -1.170 20 0 DAADMO CO[C@@H]1CN(CCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638203 779983496 /nfs/dbraw/zinc/98/34/96/779983496.db2.gz DAHGVZMINOLUMD-ZIAGYGMSSA-N 1 1 315.414 -1.095 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001213700477 779983525 /nfs/dbraw/zinc/98/35/25/779983525.db2.gz OYAUDZISOQVLQN-GHMZBOCLSA-N 1 1 313.358 -1.829 20 0 DAADMO CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001213857351 779984922 /nfs/dbraw/zinc/98/49/22/779984922.db2.gz KFXAUIZEQPKBTE-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001213857351 779984931 /nfs/dbraw/zinc/98/49/31/779984931.db2.gz KFXAUIZEQPKBTE-CHWSQXEVSA-N 1 1 312.370 -1.142 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)[C@H](OC)C1 ZINC001213828877 779985310 /nfs/dbraw/zinc/98/53/10/779985310.db2.gz HLNTURGQMGIIBP-GHMZBOCLSA-N 1 1 302.375 -1.103 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@H](OC)C1 ZINC001213859787 779985696 /nfs/dbraw/zinc/98/56/96/779985696.db2.gz KRZISXWDIZQYOS-BFHYXJOUSA-N 1 1 315.414 -1.095 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1OC ZINC001213917684 779987584 /nfs/dbraw/zinc/98/75/84/779987584.db2.gz FNFKFGDCMGUOAP-GMTAPVOTSA-N 1 1 316.402 -1.110 20 0 DAADMO CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276707633 779988906 /nfs/dbraw/zinc/98/89/06/779988906.db2.gz IYECDYOSKWDLNH-KKOKHZNYSA-N 1 1 310.398 -1.074 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001214377887 779993612 /nfs/dbraw/zinc/99/36/12/779993612.db2.gz PQMSDAWQYCIIEO-MWLCHTKSSA-N 1 1 322.369 -1.156 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001214784849 780001685 /nfs/dbraw/zinc/00/16/85/780001685.db2.gz ZOTCQXSJOGYNKK-RKDXNWHRSA-N 1 1 310.362 -1.924 20 0 DAADMO CNC(=O)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC001276716702 780003733 /nfs/dbraw/zinc/00/37/33/780003733.db2.gz KEWZQCWMYZDRJX-CNDDSTCGSA-N 1 1 322.409 -1.105 20 0 DAADMO Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215291949 780004915 /nfs/dbraw/zinc/00/49/15/780004915.db2.gz KFXMWLWMLUMREM-BWVDBABLSA-N 1 1 323.357 -1.253 20 0 DAADMO C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001215314104 780006762 /nfs/dbraw/zinc/00/67/62/780006762.db2.gz DQVWSGNWHIXKOJ-OPRDCNLKSA-N 1 1 309.374 -1.342 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001215455718 780007909 /nfs/dbraw/zinc/00/79/09/780007909.db2.gz DPXCXOXPWUJDIM-DDTOSNHZSA-N 1 1 323.397 -1.114 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001276738190 780013234 /nfs/dbraw/zinc/01/32/34/780013234.db2.gz OHLYEAVXZPASBQ-CNDDSTCGSA-N 1 1 324.381 -1.395 20 0 DAADMO COCCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]21 ZINC001217181242 780019118 /nfs/dbraw/zinc/01/91/18/780019118.db2.gz YLXDAGHXPSWYPI-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217275655 780019612 /nfs/dbraw/zinc/01/96/12/780019612.db2.gz LEMDKLSTRZVCHU-GARJFASQSA-N 1 1 300.359 -1.399 20 0 DAADMO CCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]21 ZINC001217242500 780019799 /nfs/dbraw/zinc/01/97/99/780019799.db2.gz RZLZZIAYHDVIMZ-FRRDWIJNSA-N 1 1 302.371 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(C)c3)[C@H]2C1 ZINC001217248235 780019830 /nfs/dbraw/zinc/01/98/30/780019830.db2.gz AYPJFMWIZKEXSH-HZSPNIEDSA-N 1 1 324.381 -1.047 20 0 DAADMO CO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217409224 780022647 /nfs/dbraw/zinc/02/26/47/780022647.db2.gz WHCTYXUHVGZVNA-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO CO[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217409224 780022653 /nfs/dbraw/zinc/02/26/53/780022653.db2.gz WHCTYXUHVGZVNA-RWMBFGLXSA-N 1 1 302.371 -1.058 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217555377 780022815 /nfs/dbraw/zinc/02/28/15/780022815.db2.gz UVSDNRMKRNYOEF-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO CCC(=O)NCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217555377 780022820 /nfs/dbraw/zinc/02/28/20/780022820.db2.gz UVSDNRMKRNYOEF-GRYCIOLGSA-N 1 1 324.381 -1.687 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)OC)[C@H]2C1 ZINC001217408906 780023116 /nfs/dbraw/zinc/02/31/16/780023116.db2.gz QGUOYXCTESGPCO-ZDEQEGDKSA-N 1 1 302.371 -1.060 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NC(N)=O)[C@H]2C1 ZINC001217703082 780024069 /nfs/dbraw/zinc/02/40/69/780024069.db2.gz BWTATSRZZVNLFF-SDDRHHMPSA-N 1 1 314.386 -1.009 20 0 DAADMO COCCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001217578954 780024126 /nfs/dbraw/zinc/02/41/26/780024126.db2.gz DABYUNPQEVZJSF-QWHCGFSZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560914 780024626 /nfs/dbraw/zinc/02/46/26/780024626.db2.gz SEFKGLPAAZTOBR-GARJFASQSA-N 1 1 301.343 -2.219 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217585164 780024679 /nfs/dbraw/zinc/02/46/79/780024679.db2.gz JWPQVAGYBNKDJQ-UONOGXRCSA-N 1 1 324.381 -1.127 20 0 DAADMO O=C(Cc1cc[nH]n1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217585164 780024691 /nfs/dbraw/zinc/02/46/91/780024691.db2.gz JWPQVAGYBNKDJQ-UONOGXRCSA-N 1 1 324.381 -1.127 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001217585164 780024704 /nfs/dbraw/zinc/02/47/04/780024704.db2.gz JWPQVAGYBNKDJQ-UONOGXRCSA-N 1 1 324.381 -1.127 20 0 DAADMO O=C(Cc1ccn[nH]1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001217585164 780024714 /nfs/dbraw/zinc/02/47/14/780024714.db2.gz JWPQVAGYBNKDJQ-UONOGXRCSA-N 1 1 324.381 -1.127 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217689732 780025729 /nfs/dbraw/zinc/02/57/29/780025729.db2.gz BHXGWMMHDHTWJJ-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO CCNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001217689732 780025739 /nfs/dbraw/zinc/02/57/39/780025739.db2.gz BHXGWMMHDHTWJJ-SDDRHHMPSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217720703 780025763 /nfs/dbraw/zinc/02/57/63/780025763.db2.gz SMUGXWSIQBKEFE-OUAUKWLOSA-N 1 1 310.354 -2.077 20 0 DAADMO CNC(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001217720703 780025775 /nfs/dbraw/zinc/02/57/75/780025775.db2.gz SMUGXWSIQBKEFE-OUAUKWLOSA-N 1 1 310.354 -2.077 20 0 DAADMO C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001217915750 780027277 /nfs/dbraw/zinc/02/72/77/780027277.db2.gz VDMYXWRKJLKIAX-FRRDWIJNSA-N 1 1 324.385 -1.254 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ncc[nH]3)[C@H]2C1 ZINC001217827340 780027361 /nfs/dbraw/zinc/02/73/61/780027361.db2.gz WFJMUXBFFPLLGV-SDDRHHMPSA-N 1 1 310.354 -1.058 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001217975296 780027431 /nfs/dbraw/zinc/02/74/31/780027431.db2.gz AOAMXMMYKATPHS-SDDRHHMPSA-N 1 1 315.370 -1.959 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001217975296 780027435 /nfs/dbraw/zinc/02/74/35/780027435.db2.gz AOAMXMMYKATPHS-SDDRHHMPSA-N 1 1 315.370 -1.959 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCOC3)[C@H]2C1 ZINC001218032558 780027748 /nfs/dbraw/zinc/02/77/48/780027748.db2.gz RDVQJYQQHGPRRC-RFQIPJPRSA-N 1 1 314.382 -1.058 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]n3)[C@H]2C1 ZINC001218225468 780028957 /nfs/dbraw/zinc/02/89/57/780028957.db2.gz HOHMNQMDZIAPJN-ZMLRMANQSA-N 1 1 311.342 -1.663 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cn[nH]n3)[C@H]2C1 ZINC001218225468 780028965 /nfs/dbraw/zinc/02/89/65/780028965.db2.gz HOHMNQMDZIAPJN-ZMLRMANQSA-N 1 1 311.342 -1.663 20 0 DAADMO Cn1ccnc1COCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218154414 780029594 /nfs/dbraw/zinc/02/95/94/780029594.db2.gz OOKNGALXSCRQQS-QWHCGFSZSA-N 1 1 324.381 -1.159 20 0 DAADMO Cn1ccnc1COCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218154414 780029598 /nfs/dbraw/zinc/02/95/98/780029598.db2.gz OOKNGALXSCRQQS-QWHCGFSZSA-N 1 1 324.381 -1.159 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@H]2C1 ZINC001218377339 780030250 /nfs/dbraw/zinc/03/02/50/780030250.db2.gz NUVIUXCZDGXYSE-VHSXEESVSA-N 1 1 306.388 -2.028 20 0 DAADMO CCC[N@H+]1C[C@H]2OCCN(C(=O)CNS(=O)(=O)NC)[C@H]2C1 ZINC001218376546 780030923 /nfs/dbraw/zinc/03/09/23/780030923.db2.gz GUBMRAXOSIXORA-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO CCOC(=O)c1cc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n[nH]1 ZINC001218511462 780031704 /nfs/dbraw/zinc/03/17/04/780031704.db2.gz VGKLXWAVQLPKGU-VIFPVBQESA-N 1 1 309.326 -1.145 20 0 DAADMO Cc1noc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)c1C(N)=O ZINC001218551040 780032715 /nfs/dbraw/zinc/03/27/15/780032715.db2.gz AJQVCWJXWRSZCJ-SECBINFHSA-N 1 1 310.358 -1.229 20 0 DAADMO COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001218550431 780032770 /nfs/dbraw/zinc/03/27/70/780032770.db2.gz ABOXVWZBLCMBIK-WDEREUQCSA-N 1 1 301.343 -1.954 20 0 DAADMO COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C(N)=O)[C@H]2C1 ZINC001218550431 780032773 /nfs/dbraw/zinc/03/27/73/780032773.db2.gz ABOXVWZBLCMBIK-WDEREUQCSA-N 1 1 301.343 -1.954 20 0 DAADMO COC(=O)c1cncc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)n1 ZINC001218580071 780035304 /nfs/dbraw/zinc/03/53/04/780035304.db2.gz SXXQVJPPFAQKJK-SNVBAGLBSA-N 1 1 322.369 -1.048 20 0 DAADMO CCOc1cc(N)n(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c(=N)n1 ZINC001218680652 780039410 /nfs/dbraw/zinc/03/94/10/780039410.db2.gz FDTCQKZGQZGMCP-SNVBAGLBSA-N 1 1 323.401 -1.266 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]2C1 ZINC001218697637 780039564 /nfs/dbraw/zinc/03/95/64/780039564.db2.gz VPJCTMMYSRLXCO-GARJFASQSA-N 1 1 305.400 -1.144 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001218752639 780041547 /nfs/dbraw/zinc/04/15/47/780041547.db2.gz LROARWCTCHYPPK-GRYCIOLGSA-N 1 1 324.381 -1.735 20 0 DAADMO CN(C)C(=O)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001218752639 780041553 /nfs/dbraw/zinc/04/15/53/780041553.db2.gz LROARWCTCHYPPK-GRYCIOLGSA-N 1 1 324.381 -1.735 20 0 DAADMO O=C(CCCn1cncn1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218912206 780043355 /nfs/dbraw/zinc/04/33/55/780043355.db2.gz RUYMRSUGYHQNLH-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO O=C(CCCn1cncn1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218912206 780043361 /nfs/dbraw/zinc/04/33/61/780043361.db2.gz RUYMRSUGYHQNLH-QWHCGFSZSA-N 1 1 309.370 -1.038 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCOC3)[C@H]2C1 ZINC001218893328 780043963 /nfs/dbraw/zinc/04/39/63/780043963.db2.gz RDVQJYQQHGPRRC-ZOBORPQBSA-N 1 1 314.382 -1.058 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3)[C@H]2C1 ZINC001219068981 780044671 /nfs/dbraw/zinc/04/46/71/780044671.db2.gz SEOYLFMZUOPCIA-HZSPNIEDSA-N 1 1 324.381 -1.198 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219025013 780044829 /nfs/dbraw/zinc/04/48/29/780044829.db2.gz QWEHPAXIKKSPGA-OUAUKWLOSA-N 1 1 300.359 -1.663 20 0 DAADMO CC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)Cn3cncn3)[C@H]2C1 ZINC001219050459 780045425 /nfs/dbraw/zinc/04/54/25/780045425.db2.gz DGERUHJDMKUSNE-NWDGAFQWSA-N 1 1 322.369 -1.674 20 0 DAADMO C[C@@H](O)CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970565 780046160 /nfs/dbraw/zinc/04/61/60/780046160.db2.gz JVYIIHYPDRBEJC-HZSPNIEDSA-N 1 1 315.414 -1.143 20 0 DAADMO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCNC(N)=O)[C@H]2C1 ZINC001219026853 780046251 /nfs/dbraw/zinc/04/62/51/780046251.db2.gz PFNGBLZTNVEENK-NWDGAFQWSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219083985 780047173 /nfs/dbraw/zinc/04/71/73/780047173.db2.gz RIEMXMXUMNFMOH-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219083985 780047181 /nfs/dbraw/zinc/04/71/81/780047181.db2.gz RIEMXMXUMNFMOH-UPJWGTAASA-N 1 1 302.371 -1.010 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@@H]1O ZINC001219079052 780047558 /nfs/dbraw/zinc/04/75/58/780047558.db2.gz PCIPUZFMEINHDF-YUTCNCBUSA-N 1 1 302.371 -1.276 20 0 DAADMO CCC(=O)N[C@@H]1C[N@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001219077508 780047604 /nfs/dbraw/zinc/04/76/04/780047604.db2.gz ZWVULFRPNNGGLD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO CCC(=O)N[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@@H]1O ZINC001219077508 780047611 /nfs/dbraw/zinc/04/76/11/780047611.db2.gz ZWVULFRPNNGGLD-MNOVXSKESA-N 1 1 307.416 -1.113 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219083801 780047762 /nfs/dbraw/zinc/04/77/62/780047762.db2.gz MIGOGFBNTRXEMA-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COCC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219083986 780047985 /nfs/dbraw/zinc/04/79/85/780047985.db2.gz RIEMXMXUMNFMOH-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219083986 780047996 /nfs/dbraw/zinc/04/79/96/780047996.db2.gz RIEMXMXUMNFMOH-XQQFMLRXSA-N 1 1 302.371 -1.010 20 0 DAADMO CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@@H]1O ZINC001219079051 780048176 /nfs/dbraw/zinc/04/81/76/780048176.db2.gz PCIPUZFMEINHDF-BNOWGMLFSA-N 1 1 302.371 -1.276 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001219086084 780048804 /nfs/dbraw/zinc/04/88/04/780048804.db2.gz NHLFHHXIPRKOKJ-XQQFMLRXSA-N 1 1 304.387 -1.172 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001219095250 780050494 /nfs/dbraw/zinc/05/04/94/780050494.db2.gz MEVWTRPDLNJDOY-TUAOUCFPSA-N 1 1 309.370 -1.037 20 0 DAADMO CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001219107000 780052396 /nfs/dbraw/zinc/05/23/96/780052396.db2.gz MUUBJQLEBKDNOD-XQQFMLRXSA-N 1 1 304.387 -1.028 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219110221 780052452 /nfs/dbraw/zinc/05/24/52/780052452.db2.gz IGHZNSBQOUVQEB-MNOVXSKESA-N 1 1 313.358 -2.691 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219110221 780052459 /nfs/dbraw/zinc/05/24/59/780052459.db2.gz IGHZNSBQOUVQEB-MNOVXSKESA-N 1 1 313.358 -2.691 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001219111821 780052778 /nfs/dbraw/zinc/05/27/78/780052778.db2.gz HWETVFBNHNLYLR-UTUOFQBUSA-N 1 1 322.369 -1.937 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001219110484 780053038 /nfs/dbraw/zinc/05/30/38/780053038.db2.gz OXHOBBWDVOJUSB-OLZOCXBDSA-N 1 1 309.370 -1.740 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O ZINC001219110023 780053208 /nfs/dbraw/zinc/05/32/08/780053208.db2.gz BHRYOYVOIMSKMR-OLZOCXBDSA-N 1 1 301.387 -1.044 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](O)C1 ZINC001219135018 780053836 /nfs/dbraw/zinc/05/38/36/780053836.db2.gz YTNZGXZBNHCXFG-XQQFMLRXSA-N 1 1 311.338 -1.898 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219111994 780054061 /nfs/dbraw/zinc/05/40/61/780054061.db2.gz OGLSQGCEJSZBKW-UTUOFQBUSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219111994 780054067 /nfs/dbraw/zinc/05/40/67/780054067.db2.gz OGLSQGCEJSZBKW-UTUOFQBUSA-N 1 1 314.386 -1.672 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001219135683 780055095 /nfs/dbraw/zinc/05/50/95/780055095.db2.gz GLYMLWWZWLZJNO-GDPRMGEGSA-N 1 1 312.326 -2.036 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001219144921 780056621 /nfs/dbraw/zinc/05/66/21/780056621.db2.gz ALJWSBIEFJASNE-XQQFMLRXSA-N 1 1 320.386 -1.792 20 0 DAADMO CC(C)=CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219146591 780056783 /nfs/dbraw/zinc/05/67/83/780056783.db2.gz NMLKUNIEEHKSGP-MNOVXSKESA-N 1 1 310.354 -1.334 20 0 DAADMO CC(C)=CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219146591 780056792 /nfs/dbraw/zinc/05/67/92/780056792.db2.gz NMLKUNIEEHKSGP-MNOVXSKESA-N 1 1 310.354 -1.334 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219151685 780058465 /nfs/dbraw/zinc/05/84/65/780058465.db2.gz PTJLHQFAFPFYON-GDPRMGEGSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219151685 780058468 /nfs/dbraw/zinc/05/84/68/780058468.db2.gz PTJLHQFAFPFYON-GDPRMGEGSA-N 1 1 323.340 -1.046 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219158435 780058508 /nfs/dbraw/zinc/05/85/08/780058508.db2.gz AKYCPHGUZJHXRU-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001219158435 780058509 /nfs/dbraw/zinc/05/85/09/780058509.db2.gz AKYCPHGUZJHXRU-OLZOCXBDSA-N 1 1 324.385 -1.349 20 0 DAADMO CSCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219165058 780058970 /nfs/dbraw/zinc/05/89/70/780058970.db2.gz CUEOVKLPDJUENI-MNOVXSKESA-N 1 1 316.427 -1.074 20 0 DAADMO CSCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219165058 780058976 /nfs/dbraw/zinc/05/89/76/780058976.db2.gz CUEOVKLPDJUENI-MNOVXSKESA-N 1 1 316.427 -1.074 20 0 DAADMO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1)C1CC1 ZINC001219158687 780059003 /nfs/dbraw/zinc/05/90/03/780059003.db2.gz MGFQMYVZKHEBQY-AGIUHOORSA-N 1 1 324.385 -1.351 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219163166 780059702 /nfs/dbraw/zinc/05/97/02/780059702.db2.gz IMPIRFVUWPCYJU-ZJUUUORDSA-N 1 1 313.358 -2.562 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001219163166 780059709 /nfs/dbraw/zinc/05/97/09/780059709.db2.gz IMPIRFVUWPCYJU-ZJUUUORDSA-N 1 1 313.358 -2.562 20 0 DAADMO Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167478 780060741 /nfs/dbraw/zinc/06/07/41/780060741.db2.gz ZCYCFYJEEXMATN-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167478 780060743 /nfs/dbraw/zinc/06/07/43/780060743.db2.gz ZCYCFYJEEXMATN-NEPJUHHUSA-N 1 1 307.354 -1.280 20 0 DAADMO CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1 ZINC001219168745 780060821 /nfs/dbraw/zinc/06/08/21/780060821.db2.gz LTVRSATYVQCAOL-AXFHLTTASA-N 1 1 314.386 -1.369 20 0 DAADMO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167141 780061564 /nfs/dbraw/zinc/06/15/64/780061564.db2.gz JLPLIUJCZADTAX-BDAKNGLRSA-N 1 1 313.383 -1.219 20 0 DAADMO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219167141 780061572 /nfs/dbraw/zinc/06/15/72/780061572.db2.gz JLPLIUJCZADTAX-BDAKNGLRSA-N 1 1 313.383 -1.219 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219168393 780061792 /nfs/dbraw/zinc/06/17/92/780061792.db2.gz BZICJDFRMYVLFJ-BDAKNGLRSA-N 1 1 306.313 -1.139 20 0 DAADMO CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)C1 ZINC001219168611 780062011 /nfs/dbraw/zinc/06/20/11/780062011.db2.gz IOHFDEMKFMKIPK-HCWSGVFWSA-N 1 1 314.386 -1.369 20 0 DAADMO CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219169072 780063012 /nfs/dbraw/zinc/06/30/12/780063012.db2.gz VDQDHVVAUXISQR-WOPDTQHZSA-N 1 1 314.386 -1.369 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219168889 780063762 /nfs/dbraw/zinc/06/37/62/780063762.db2.gz QDVNCALARPXLLS-BDAKNGLRSA-N 1 1 314.346 -3.159 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219168889 780063771 /nfs/dbraw/zinc/06/37/71/780063771.db2.gz QDVNCALARPXLLS-BDAKNGLRSA-N 1 1 314.346 -3.159 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219221848 780068467 /nfs/dbraw/zinc/06/84/67/780068467.db2.gz KEADNOYLOLLXKB-KGLIPLIRSA-N 1 1 323.397 -1.132 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219221848 780068474 /nfs/dbraw/zinc/06/84/74/780068474.db2.gz KEADNOYLOLLXKB-KGLIPLIRSA-N 1 1 323.397 -1.132 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219221880 780068847 /nfs/dbraw/zinc/06/88/47/780068847.db2.gz LUBPOHXNKUMZMZ-UTUOFQBUSA-N 1 1 303.359 -2.367 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@@H](O)C1 ZINC001219230311 780070646 /nfs/dbraw/zinc/07/06/46/780070646.db2.gz WSMZPEFXMCVVGJ-XQQFMLRXSA-N 1 1 304.387 -1.030 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001219223825 780070689 /nfs/dbraw/zinc/07/06/89/780070689.db2.gz UIDRGWPRVGKKPO-FRRDWIJNSA-N 1 1 318.370 -1.774 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](O)C1 ZINC001219223825 780070693 /nfs/dbraw/zinc/07/06/93/780070693.db2.gz UIDRGWPRVGKKPO-FRRDWIJNSA-N 1 1 318.370 -1.774 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219246118 780070904 /nfs/dbraw/zinc/07/09/04/780070904.db2.gz JGIKJKNMLCWWEI-MXWKQRLJSA-N 1 1 316.427 -1.076 20 0 DAADMO CS[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219246118 780070908 /nfs/dbraw/zinc/07/09/08/780070908.db2.gz JGIKJKNMLCWWEI-MXWKQRLJSA-N 1 1 316.427 -1.076 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219243801 780071772 /nfs/dbraw/zinc/07/17/72/780071772.db2.gz HXJNWYXKUXNKPA-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219243801 780071781 /nfs/dbraw/zinc/07/17/81/780071781.db2.gz HXJNWYXKUXNKPA-UTUOFQBUSA-N 1 1 314.386 -1.402 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001219271220 780074559 /nfs/dbraw/zinc/07/45/59/780074559.db2.gz PMCOCLNTQLHKID-TUAOUCFPSA-N 1 1 315.370 -1.070 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219271417 780074580 /nfs/dbraw/zinc/07/45/80/780074580.db2.gz SEJWJAMCPJICCO-MNOVXSKESA-N 1 1 319.358 -1.833 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219271417 780074591 /nfs/dbraw/zinc/07/45/91/780074591.db2.gz SEJWJAMCPJICCO-MNOVXSKESA-N 1 1 319.358 -1.833 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219272992 780075778 /nfs/dbraw/zinc/07/57/78/780075778.db2.gz ZFTPSAWBMFZEHV-ZJUUUORDSA-N 1 1 305.331 -2.487 20 0 DAADMO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219272992 780075783 /nfs/dbraw/zinc/07/57/83/780075783.db2.gz ZFTPSAWBMFZEHV-ZJUUUORDSA-N 1 1 305.331 -2.487 20 0 DAADMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219292934 780076891 /nfs/dbraw/zinc/07/68/91/780076891.db2.gz BDHVPSOMAUQFEY-OLZOCXBDSA-N 1 1 323.397 -1.039 20 0 DAADMO CCCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219316284 780079597 /nfs/dbraw/zinc/07/95/97/780079597.db2.gz GDGINVHMWNEKOB-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO CCCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219316284 780079607 /nfs/dbraw/zinc/07/96/07/780079607.db2.gz GDGINVHMWNEKOB-NEPJUHHUSA-N 1 1 314.386 -1.401 20 0 DAADMO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219318159 780080367 /nfs/dbraw/zinc/08/03/67/780080367.db2.gz JPXADEINFSUTMH-YUTCNCBUSA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219318159 780080376 /nfs/dbraw/zinc/08/03/76/780080376.db2.gz JPXADEINFSUTMH-YUTCNCBUSA-N 1 1 316.398 -1.028 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001219326023 780080456 /nfs/dbraw/zinc/08/04/56/780080456.db2.gz IRCJHDDWXPMXDD-UPJWGTAASA-N 1 1 312.370 -1.869 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001219328920 780081680 /nfs/dbraw/zinc/08/16/80/780081680.db2.gz XJKDAEIBGBZODH-UPJWGTAASA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001219328920 780081686 /nfs/dbraw/zinc/08/16/86/780081686.db2.gz XJKDAEIBGBZODH-UPJWGTAASA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cscn1 ZINC001219336674 780081742 /nfs/dbraw/zinc/08/17/42/780081742.db2.gz FJMQGKWCQGSURT-KOLCDFICSA-N 1 1 301.368 -1.073 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cscn1 ZINC001219336674 780081749 /nfs/dbraw/zinc/08/17/49/780081749.db2.gz FJMQGKWCQGSURT-KOLCDFICSA-N 1 1 301.368 -1.073 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001219336662 780081775 /nfs/dbraw/zinc/08/17/75/780081775.db2.gz DYMQVKBFJVIUHM-KKZNHRDASA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001219336662 780081781 /nfs/dbraw/zinc/08/17/81/780081781.db2.gz DYMQVKBFJVIUHM-KKZNHRDASA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001219336663 780082069 /nfs/dbraw/zinc/08/20/69/780082069.db2.gz DYMQVKBFJVIUHM-NGZCFLSTSA-N 1 1 301.368 -1.075 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cscn2)[C@@H](O)C1 ZINC001219336663 780082076 /nfs/dbraw/zinc/08/20/76/780082076.db2.gz DYMQVKBFJVIUHM-NGZCFLSTSA-N 1 1 301.368 -1.075 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357638 780083551 /nfs/dbraw/zinc/08/35/51/780083551.db2.gz DVAHFYHRADTZCQ-UTUOFQBUSA-N 1 1 315.370 -1.911 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357638 780083561 /nfs/dbraw/zinc/08/35/61/780083561.db2.gz DVAHFYHRADTZCQ-UTUOFQBUSA-N 1 1 315.370 -1.911 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001219358005 780083701 /nfs/dbraw/zinc/08/37/01/780083701.db2.gz STVWZWPVZDSNDR-UTLUCORTSA-N 1 1 313.358 -2.563 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357811 780083777 /nfs/dbraw/zinc/08/37/77/780083777.db2.gz MAGLKKMUGYDKKC-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219358023 780084604 /nfs/dbraw/zinc/08/46/04/780084604.db2.gz TYZYCLFYZJYHKJ-UPJWGTAASA-N 1 1 301.387 -1.749 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)no1 ZINC001219375919 780086706 /nfs/dbraw/zinc/08/67/06/780086706.db2.gz HCPZKNFLRINPJU-OLZOCXBDSA-N 1 1 313.354 -1.304 20 0 DAADMO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)no1 ZINC001219375919 780086717 /nfs/dbraw/zinc/08/67/17/780086717.db2.gz HCPZKNFLRINPJU-OLZOCXBDSA-N 1 1 313.354 -1.304 20 0 DAADMO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1O ZINC001219376303 780087198 /nfs/dbraw/zinc/08/71/98/780087198.db2.gz YEHILTYVGYAWBM-TUAOUCFPSA-N 1 1 301.387 -1.165 20 0 DAADMO COCCOCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219387452 780090271 /nfs/dbraw/zinc/09/02/71/780090271.db2.gz DIOQNXYFOSBABJ-UPJWGTAASA-N 1 1 302.371 -1.153 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001219407979 780092605 /nfs/dbraw/zinc/09/26/05/780092605.db2.gz NNFLOYGAEMQRAJ-MXWKQRLJSA-N 1 1 313.358 -2.094 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)c2C)[C@@H](O)C1 ZINC001219407979 780092609 /nfs/dbraw/zinc/09/26/09/780092609.db2.gz NNFLOYGAEMQRAJ-MXWKQRLJSA-N 1 1 313.358 -2.094 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001219412766 780092753 /nfs/dbraw/zinc/09/27/53/780092753.db2.gz FCQFADGOYBHMNF-TUAOUCFPSA-N 1 1 315.370 -1.781 20 0 DAADMO O=C(CCC1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219406356 780092980 /nfs/dbraw/zinc/09/29/80/780092980.db2.gz NXLUYXJVTRBUKD-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO O=C(CCC1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219406356 780092989 /nfs/dbraw/zinc/09/29/89/780092989.db2.gz NXLUYXJVTRBUKD-NEPJUHHUSA-N 1 1 324.381 -1.110 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219411414 780093271 /nfs/dbraw/zinc/09/32/71/780093271.db2.gz IPXVAXVGNFIDDP-OLZOCXBDSA-N 1 1 307.350 -1.284 20 0 DAADMO CCCCOCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219408433 780093296 /nfs/dbraw/zinc/09/32/96/780093296.db2.gz ZOJZHTZZGSZXHL-UPJWGTAASA-N 1 1 304.387 -1.028 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001219411393 780093354 /nfs/dbraw/zinc/09/33/54/780093354.db2.gz HMVVSPXLDMWTDW-RDBSUJKOSA-N 1 1 315.414 -1.095 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093524 /nfs/dbraw/zinc/09/35/24/780093524.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 1 1 317.386 -2.513 20 0 DAADMO CN1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1 ZINC001219411412 780093532 /nfs/dbraw/zinc/09/35/32/780093532.db2.gz IPIPWECQRBCPLY-AGIUHOORSA-N 1 1 317.386 -2.513 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219413651 780094578 /nfs/dbraw/zinc/09/45/78/780094578.db2.gz YRSSXCLMNJYIRZ-TUAOUCFPSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001219413651 780094589 /nfs/dbraw/zinc/09/45/89/780094589.db2.gz YRSSXCLMNJYIRZ-TUAOUCFPSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219413618 780094674 /nfs/dbraw/zinc/09/46/74/780094674.db2.gz XLIQWTYWCMLNGE-SFYZADRCSA-N 1 1 313.314 -3.425 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001219413618 780094682 /nfs/dbraw/zinc/09/46/82/780094682.db2.gz XLIQWTYWCMLNGE-SFYZADRCSA-N 1 1 313.314 -3.425 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001219415969 780094762 /nfs/dbraw/zinc/09/47/62/780094762.db2.gz NJQMXFIPCMPMNA-NEPJUHHUSA-N 1 1 311.338 -1.429 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001219415969 780094767 /nfs/dbraw/zinc/09/47/67/780094767.db2.gz NJQMXFIPCMPMNA-NEPJUHHUSA-N 1 1 311.338 -1.429 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413449 780094956 /nfs/dbraw/zinc/09/49/56/780094956.db2.gz QLNVJTPSYIJGJC-MXWKQRLJSA-N 1 1 319.358 -2.953 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219413652 780095197 /nfs/dbraw/zinc/09/51/97/780095197.db2.gz YRSSXCLMNJYIRZ-UTUOFQBUSA-N 1 1 315.370 -1.781 20 0 DAADMO NC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001219413652 780095201 /nfs/dbraw/zinc/09/52/01/780095201.db2.gz YRSSXCLMNJYIRZ-UTUOFQBUSA-N 1 1 315.370 -1.781 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](O)C1 ZINC001219416311 780095252 /nfs/dbraw/zinc/09/52/52/780095252.db2.gz WTNNGHLFZGEEHD-WCQGTBRESA-N 1 1 311.338 -1.431 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219414128 780095284 /nfs/dbraw/zinc/09/52/84/780095284.db2.gz UCQVVIGQGFRYOJ-AXFHLTTASA-N 1 1 314.386 -1.722 20 0 DAADMO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219414128 780095285 /nfs/dbraw/zinc/09/52/85/780095285.db2.gz UCQVVIGQGFRYOJ-AXFHLTTASA-N 1 1 314.386 -1.722 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219439524 780096341 /nfs/dbraw/zinc/09/63/41/780096341.db2.gz SZNXOLXOUIBNDD-XQQFMLRXSA-N 1 1 312.370 -1.571 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)n[nH]2)[C@@H](O)C1 ZINC001219439522 780096394 /nfs/dbraw/zinc/09/63/94/780096394.db2.gz SZNXOLXOUIBNDD-UPJWGTAASA-N 1 1 312.370 -1.571 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219432810 780097111 /nfs/dbraw/zinc/09/71/11/780097111.db2.gz OUHNHPRQYLIPSZ-NEPJUHHUSA-N 1 1 319.369 -1.205 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219440817 780097247 /nfs/dbraw/zinc/09/72/47/780097247.db2.gz AGDYNJIOQRHLJN-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO O=C(CCc1nnc[nH]1)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219440817 780097252 /nfs/dbraw/zinc/09/72/52/780097252.db2.gz AGDYNJIOQRHLJN-MNOVXSKESA-N 1 1 313.358 -2.093 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001219472654 780100638 /nfs/dbraw/zinc/10/06/38/780100638.db2.gz PJOBGSVKFVGWKE-OLZOCXBDSA-N 1 1 301.387 -1.484 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001219472093 780100811 /nfs/dbraw/zinc/10/08/11/780100811.db2.gz DROMOLXXTAQANE-UPJWGTAASA-N 1 1 301.387 -1.485 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCCO1 ZINC001219458848 780100902 /nfs/dbraw/zinc/10/09/02/780100902.db2.gz LHJKAXJMTTZLBH-FRRDWIJNSA-N 1 1 302.371 -1.274 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCCO1 ZINC001219458848 780100906 /nfs/dbraw/zinc/10/09/06/780100906.db2.gz LHJKAXJMTTZLBH-FRRDWIJNSA-N 1 1 302.371 -1.274 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478043 780101944 /nfs/dbraw/zinc/10/19/44/780101944.db2.gz JXNBCTGTRQPTNX-MXWKQRLJSA-N 1 1 313.358 -1.694 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219495570 780104727 /nfs/dbraw/zinc/10/47/27/780104727.db2.gz IXPNDXHOQFVWMM-UTUOFQBUSA-N 1 1 301.387 -1.165 20 0 DAADMO C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2N)[C@@H](O)C1 ZINC001219499653 780104861 /nfs/dbraw/zinc/10/48/61/780104861.db2.gz CHORPBNYAPTOOU-WCQGTBRESA-N 1 1 311.386 -1.062 20 0 DAADMO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219495415 780105343 /nfs/dbraw/zinc/10/53/43/780105343.db2.gz FKKHLHDGEZZEKP-NEPJUHHUSA-N 1 1 309.370 -1.429 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001219497502 780105403 /nfs/dbraw/zinc/10/54/03/780105403.db2.gz QYMTXUGMGWXQLZ-FOGDFJRCSA-N 1 1 311.338 -1.431 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1 ZINC001219497502 780105405 /nfs/dbraw/zinc/10/54/05/780105405.db2.gz QYMTXUGMGWXQLZ-FOGDFJRCSA-N 1 1 311.338 -1.431 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@@H]1O ZINC001219502738 780106106 /nfs/dbraw/zinc/10/61/06/780106106.db2.gz NLLDQXKUEZEADJ-UTUOFQBUSA-N 1 1 317.386 -1.929 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219503746 780106672 /nfs/dbraw/zinc/10/66/72/780106672.db2.gz FPLLSNBGOAIQRR-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219503746 780106674 /nfs/dbraw/zinc/10/66/74/780106674.db2.gz FPLLSNBGOAIQRR-NEPJUHHUSA-N 1 1 324.385 -1.644 20 0 DAADMO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505919 780106830 /nfs/dbraw/zinc/10/68/30/780106830.db2.gz RCUGOPJLKWQERF-MXWKQRLJSA-N 1 1 314.386 -1.672 20 0 DAADMO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505919 780106836 /nfs/dbraw/zinc/10/68/36/780106836.db2.gz RCUGOPJLKWQERF-MXWKQRLJSA-N 1 1 314.386 -1.672 20 0 DAADMO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001219509766 780107802 /nfs/dbraw/zinc/10/78/02/780107802.db2.gz CGALGEDXODUVJB-KGLIPLIRSA-N 1 1 321.377 -1.024 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001219510680 780107922 /nfs/dbraw/zinc/10/79/22/780107922.db2.gz AJYMVTNBIJPHPZ-ZJUUUORDSA-N 1 1 315.326 -2.238 20 0 DAADMO Cn1oc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)cc1=O ZINC001219510680 780107928 /nfs/dbraw/zinc/10/79/28/780107928.db2.gz AJYMVTNBIJPHPZ-ZJUUUORDSA-N 1 1 315.326 -2.238 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001219511233 780109710 /nfs/dbraw/zinc/10/97/10/780109710.db2.gz LSXAMXZYWGDCOW-AEJSXWLSSA-N 1 1 315.326 -2.240 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521298 780110330 /nfs/dbraw/zinc/11/03/30/780110330.db2.gz DAIOQRHYQYTUBP-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219526750 780110836 /nfs/dbraw/zinc/11/08/36/780110836.db2.gz APISJLYMOZQSGX-UPJWGTAASA-N 1 1 311.386 -1.010 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001219521370 780111115 /nfs/dbraw/zinc/11/11/15/780111115.db2.gz HDIQUIJPQDFPAW-WCQGTBRESA-N 1 1 314.386 -1.369 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001219521396 780111396 /nfs/dbraw/zinc/11/13/96/780111396.db2.gz IERMZKQAOUEGFV-AEJSXWLSSA-N 1 1 311.346 -2.504 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001219521396 780111402 /nfs/dbraw/zinc/11/14/02/780111402.db2.gz IERMZKQAOUEGFV-AEJSXWLSSA-N 1 1 311.346 -2.504 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521495 780111602 /nfs/dbraw/zinc/11/16/02/780111602.db2.gz LVGHXPPCZVWHTG-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001219531404 780112852 /nfs/dbraw/zinc/11/28/52/780112852.db2.gz SGKOABMNLSYVFA-UTUOFQBUSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001219531404 780112857 /nfs/dbraw/zinc/11/28/57/780112857.db2.gz SGKOABMNLSYVFA-UTUOFQBUSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001219531402 780113136 /nfs/dbraw/zinc/11/31/36/780113136.db2.gz SGKOABMNLSYVFA-TUAOUCFPSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](O)C1 ZINC001219531402 780113137 /nfs/dbraw/zinc/11/31/37/780113137.db2.gz SGKOABMNLSYVFA-TUAOUCFPSA-N 1 1 310.354 -1.433 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547209 780114051 /nfs/dbraw/zinc/11/40/51/780114051.db2.gz OGJJCZFYAMAUQB-VWYCJHECSA-N 1 1 301.343 -1.317 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219547208 780114717 /nfs/dbraw/zinc/11/47/17/780114717.db2.gz OGJJCZFYAMAUQB-MXWKQRLJSA-N 1 1 301.343 -1.317 20 0 DAADMO O=C(CCc1ncc[nH]1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219551258 780115648 /nfs/dbraw/zinc/11/56/48/780115648.db2.gz UYHVENXAVUHYCP-NEPJUHHUSA-N 1 1 312.370 -1.488 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219547782 780116057 /nfs/dbraw/zinc/11/60/57/780116057.db2.gz YPONQXPKQJTFBU-WOPDTQHZSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001219547782 780116062 /nfs/dbraw/zinc/11/60/62/780116062.db2.gz YPONQXPKQJTFBU-WOPDTQHZSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219547781 780116451 /nfs/dbraw/zinc/11/64/51/780116451.db2.gz YPONQXPKQJTFBU-UTUOFQBUSA-N 1 1 313.354 -1.317 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001219547781 780116454 /nfs/dbraw/zinc/11/64/54/780116454.db2.gz YPONQXPKQJTFBU-UTUOFQBUSA-N 1 1 313.354 -1.317 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](O)C1 ZINC001219563463 780118016 /nfs/dbraw/zinc/11/80/16/780118016.db2.gz VYDCIGNSVWWCGE-FRRDWIJNSA-N 1 1 304.387 -1.172 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](O)C(C)C)[C@@H](O)C1 ZINC001219563463 780118020 /nfs/dbraw/zinc/11/80/20/780118020.db2.gz VYDCIGNSVWWCGE-FRRDWIJNSA-N 1 1 304.387 -1.172 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1O ZINC001219571192 780119363 /nfs/dbraw/zinc/11/93/63/780119363.db2.gz JMZJDXJBNDQSGA-UTUOFQBUSA-N 1 1 316.402 -1.372 20 0 DAADMO CNC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001219570926 780119523 /nfs/dbraw/zinc/11/95/23/780119523.db2.gz BSDQZFIAJFBPSE-UTUOFQBUSA-N 1 1 314.386 -1.497 20 0 DAADMO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2O)[nH]1 ZINC001219585533 780120358 /nfs/dbraw/zinc/12/03/58/780120358.db2.gz LPIKKNCCLSTGRS-WCQGTBRESA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2O)n[nH]1 ZINC001219585533 780120365 /nfs/dbraw/zinc/12/03/65/780120365.db2.gz LPIKKNCCLSTGRS-WCQGTBRESA-N 1 1 311.386 -1.022 20 0 DAADMO Cc1nc(CC(=O)N[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2O)n[nH]1 ZINC001219585533 780120376 /nfs/dbraw/zinc/12/03/76/780120376.db2.gz LPIKKNCCLSTGRS-WCQGTBRESA-N 1 1 311.386 -1.022 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001219585873 780120690 /nfs/dbraw/zinc/12/06/90/780120690.db2.gz WZVBCHUOGJHGGF-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](O)C1 ZINC001219585873 780120691 /nfs/dbraw/zinc/12/06/91/780120691.db2.gz WZVBCHUOGJHGGF-RTXFEEFZSA-N 1 1 310.354 -1.433 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001219585839 780120733 /nfs/dbraw/zinc/12/07/33/780120733.db2.gz WBTIVMBZDUCMCM-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)nn1 ZINC001219585839 780120736 /nfs/dbraw/zinc/12/07/36/780120736.db2.gz WBTIVMBZDUCMCM-OLZOCXBDSA-N 1 1 310.354 -1.431 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219588590 780120901 /nfs/dbraw/zinc/12/09/01/780120901.db2.gz HJKLWYADJHJJGW-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)n1 ZINC001219588590 780120905 /nfs/dbraw/zinc/12/09/05/780120905.db2.gz HJKLWYADJHJJGW-OLZOCXBDSA-N 1 1 312.370 -1.867 20 0 DAADMO COCCOC[C@@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313017828 780122876 /nfs/dbraw/zinc/12/28/76/780122876.db2.gz OXQAIHHGPJTZAR-RYUDHWBXSA-N 1 1 310.416 -1.024 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)N2CCCC2)[C@@H](O)C1 ZINC001219611801 780123568 /nfs/dbraw/zinc/12/35/68/780123568.db2.gz KBKFGKSTAYRZFK-UTUOFQBUSA-N 1 1 314.386 -1.666 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613444 780125342 /nfs/dbraw/zinc/12/53/42/780125342.db2.gz MFKGJBLFQBNNIP-BYULHYEWSA-N 1 1 312.292 -1.779 20 0 DAADMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219614977 780125549 /nfs/dbraw/zinc/12/55/49/780125549.db2.gz BBVOGTAFOVZRAM-BBBLOLIVSA-N 1 1 309.388 -2.532 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219621043 780126392 /nfs/dbraw/zinc/12/63/92/780126392.db2.gz VMRPUTZXIHDPJB-MXWKQRLJSA-N 1 1 302.375 -1.369 20 0 DAADMO C[NH2+][C@H]1CCCN(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)C1 ZINC001219622372 780126541 /nfs/dbraw/zinc/12/65/41/780126541.db2.gz UFLMSGOIAJZYOW-SGMGOOAPSA-N 1 1 302.394 -1.151 20 0 DAADMO O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cnc2n1CC[NH2+]CC2 ZINC001219628240 780126890 /nfs/dbraw/zinc/12/68/90/780126890.db2.gz SYWKPADNYFBKMJ-SMDDNHRTSA-N 1 1 311.361 -1.179 20 0 DAADMO C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)N1CCCCC1=O ZINC001219620454 780126898 /nfs/dbraw/zinc/12/68/98/780126898.db2.gz CXIQTCWSGWFQGE-UPJWGTAASA-N 1 1 313.398 -1.069 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219628147 780127018 /nfs/dbraw/zinc/12/70/18/780127018.db2.gz FPFUYPMYGOMKQW-AXFHLTTASA-N 1 1 302.375 -1.369 20 0 DAADMO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219621752 780127571 /nfs/dbraw/zinc/12/75/71/780127571.db2.gz GWHRNVQOYHUWKM-NJBDSQKTSA-N 1 1 317.361 -1.436 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001219656207 780128113 /nfs/dbraw/zinc/12/81/13/780128113.db2.gz PWIWEIMYPSIXSV-YPMHNXCESA-N 1 1 324.381 -1.387 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001219656207 780128119 /nfs/dbraw/zinc/12/81/19/780128119.db2.gz PWIWEIMYPSIXSV-YPMHNXCESA-N 1 1 324.381 -1.387 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219637661 780128512 /nfs/dbraw/zinc/12/85/12/780128512.db2.gz JGNUVMNKQCMYDK-NEPJUHHUSA-N 1 1 312.370 -1.431 20 0 DAADMO Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219637661 780128519 /nfs/dbraw/zinc/12/85/19/780128519.db2.gz JGNUVMNKQCMYDK-NEPJUHHUSA-N 1 1 312.370 -1.431 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638592 780128757 /nfs/dbraw/zinc/12/87/57/780128757.db2.gz XZDRNPBAISVINW-BBBLOLIVSA-N 1 1 300.319 -3.158 20 0 DAADMO CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219638008 780129261 /nfs/dbraw/zinc/12/92/61/780129261.db2.gz OMCFAWIOONXZTH-NEPJUHHUSA-N 1 1 312.374 -1.349 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](O)C1 ZINC001219656348 780129285 /nfs/dbraw/zinc/12/92/85/780129285.db2.gz ZANMSVNNHAKCTP-WZRBSPASSA-N 1 1 324.381 -1.389 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219672190 780130916 /nfs/dbraw/zinc/13/09/16/780130916.db2.gz IVAVIMXXOFWBFB-MXWKQRLJSA-N 1 1 323.415 -2.142 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001219672533 780131103 /nfs/dbraw/zinc/13/11/03/780131103.db2.gz XERDWZWYHWDWKM-MXWKQRLJSA-N 1 1 307.416 -1.116 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](O)C1 ZINC001219677193 780131967 /nfs/dbraw/zinc/13/19/67/780131967.db2.gz ULEWAFAREOHJCB-NEPJUHHUSA-N 1 1 311.338 -1.183 20 0 DAADMO N[C@@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C(F)(F)F ZINC001219678057 780132032 /nfs/dbraw/zinc/13/20/32/780132032.db2.gz APGRSJWMALVFHX-ZETCQYMHSA-N 1 1 318.321 -1.773 20 0 DAADMO O=C(CNC(=O)C1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219676905 780132925 /nfs/dbraw/zinc/13/29/25/780132925.db2.gz GDGBWQRNZFFPRR-OLZOCXBDSA-N 1 1 313.398 -1.164 20 0 DAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC(=O)CN1 ZINC001219678263 780133160 /nfs/dbraw/zinc/13/31/60/780133160.db2.gz IRYBFAXIXUHTHC-NSHDSACASA-N 1 1 318.399 -2.341 20 0 DAADMO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219684104 780133966 /nfs/dbraw/zinc/13/39/66/780133966.db2.gz JKTFWRFTPVPZCK-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219684104 780133972 /nfs/dbraw/zinc/13/39/72/780133972.db2.gz JKTFWRFTPVPZCK-RTXFEEFZSA-N 1 1 313.398 -1.165 20 0 DAADMO N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712886 780136137 /nfs/dbraw/zinc/13/61/37/780136137.db2.gz YJTNDNIVSGWESP-YNEHKIRRSA-N 1 1 307.350 -1.104 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219686453 780136672 /nfs/dbraw/zinc/13/66/72/780136672.db2.gz NQHJJVYNBVQTKV-JLLWLGSASA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219686453 780136676 /nfs/dbraw/zinc/13/66/76/780136676.db2.gz NQHJJVYNBVQTKV-JLLWLGSASA-N 1 1 311.338 -1.449 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720831 780138425 /nfs/dbraw/zinc/13/84/25/780138425.db2.gz SFPRRUGPSXEGAZ-LPEHRKFASA-N 1 1 302.375 -1.913 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001219733350 780138668 /nfs/dbraw/zinc/13/86/68/780138668.db2.gz JSNSBEGENZQOCY-AEJSXWLSSA-N 1 1 309.388 -2.532 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736694 780139037 /nfs/dbraw/zinc/13/90/37/780139037.db2.gz FMWSRHDONKWYRP-QWRGUYRKSA-N 1 1 316.427 -1.365 20 0 DAADMO CCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219733488 780139620 /nfs/dbraw/zinc/13/96/20/780139620.db2.gz QGOYJBICGPUNEC-ZJUUUORDSA-N 1 1 309.388 -2.531 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736253 780139894 /nfs/dbraw/zinc/13/98/94/780139894.db2.gz KDKHEOPMCNIMCP-MNOVXSKESA-N 1 1 323.415 -1.924 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733157 780140100 /nfs/dbraw/zinc/14/01/00/780140100.db2.gz BCZLWDSBRYTHCO-MNOVXSKESA-N 1 1 323.415 -1.877 20 0 DAADMO [NH3+][C@@H](Cn1cccn1)C(=O)NCc1nnc2n1CCCNC2 ZINC001219746869 780140546 /nfs/dbraw/zinc/14/05/46/780140546.db2.gz OIXBCICHWFXFNO-JTQLQIEISA-N 1 1 304.358 -1.388 20 0 DAADMO C[C@@]1(C(=O)NCc2nnc3n2CCCNC3)CC[NH2+]C[C@H]1O ZINC001219748794 780140966 /nfs/dbraw/zinc/14/09/66/780140966.db2.gz CLKOVHZXMYRPBQ-QMTHXVAHSA-N 1 1 308.386 -1.252 20 0 DAADMO [NH3+]CCNC(=O)/C=C/C(=O)NCc1nnc2n1CCCNC2 ZINC001219746723 780141275 /nfs/dbraw/zinc/14/12/75/780141275.db2.gz MRMRQXYDFREMAX-NSCUHMNNSA-N 1 1 307.358 -1.981 20 0 DAADMO COCC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219742346 780141474 /nfs/dbraw/zinc/14/14/74/780141474.db2.gz BJFKEASCWKVBOQ-MXWKQRLJSA-N 1 1 303.359 -2.319 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219740813 780141719 /nfs/dbraw/zinc/14/17/19/780141719.db2.gz KQVLXPANIYBYFF-MNOVXSKESA-N 1 1 303.359 -2.101 20 0 DAADMO COCC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)COC)C[C@@H]1O ZINC001219742678 780141796 /nfs/dbraw/zinc/14/17/96/780141796.db2.gz NPBBICXORRTANN-UTUOFQBUSA-N 1 1 317.386 -1.713 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739125 780141809 /nfs/dbraw/zinc/14/18/09/780141809.db2.gz HSIJBTWSLHKESY-GUBZILKMSA-N 1 1 300.359 -2.695 20 0 DAADMO O=C(CCCN1C(=O)CCC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219748352 780141856 /nfs/dbraw/zinc/14/18/56/780141856.db2.gz URRJOPIFWUWPBO-MNOVXSKESA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1nnc2n1CCCNC2 ZINC001219750225 780142465 /nfs/dbraw/zinc/14/24/65/780142465.db2.gz YAAGZJJJYASPJQ-JTQLQIEISA-N 1 1 321.385 -1.744 20 0 DAADMO [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219749018 780142483 /nfs/dbraw/zinc/14/24/83/780142483.db2.gz HJSFODVEXRDDFJ-JTQLQIEISA-N 1 1 321.385 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001219753728 780143015 /nfs/dbraw/zinc/14/30/15/780143015.db2.gz IKLDUTZTYODOBB-TUAOUCFPSA-N 1 1 314.386 -1.497 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001219753729 780143148 /nfs/dbraw/zinc/14/31/48/780143148.db2.gz IKLDUTZTYODOBB-UTUOFQBUSA-N 1 1 314.386 -1.497 20 0 DAADMO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219750252 780143179 /nfs/dbraw/zinc/14/31/79/780143179.db2.gz ZAZRBWMATOBCFK-WDEREUQCSA-N 1 1 322.369 -1.461 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752027 780143187 /nfs/dbraw/zinc/14/31/87/780143187.db2.gz LVWNJEJIIUHTKN-MNOVXSKESA-N 1 1 302.375 -1.497 20 0 DAADMO [NH3+]CCOCCOCC(=O)NCc1nnc2n1CCCNC2 ZINC001219748798 780143211 /nfs/dbraw/zinc/14/32/11/780143211.db2.gz CMGGIWACGZTOJI-UHFFFAOYSA-N 1 1 312.374 -1.621 20 0 DAADMO CCOC(=O)C1(C(=O)NCc2nnc3n2CCCNC3)C[NH2+]C1 ZINC001219749162 780143335 /nfs/dbraw/zinc/14/33/35/780143335.db2.gz ISIBETLMAJFEQJ-UHFFFAOYSA-N 1 1 322.369 -1.460 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](O)C1 ZINC001219758279 780144130 /nfs/dbraw/zinc/14/41/30/780144130.db2.gz MVZRZEJCGQJLFS-YUTCNCBUSA-N 1 1 324.381 -1.389 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219754213 780144364 /nfs/dbraw/zinc/14/43/64/780144364.db2.gz VXPCBCWBFIRIBU-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219754213 780144368 /nfs/dbraw/zinc/14/43/68/780144368.db2.gz VXPCBCWBFIRIBU-OLZOCXBDSA-N 1 1 321.381 -1.020 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001219755897 780144467 /nfs/dbraw/zinc/14/44/67/780144467.db2.gz RWBABDRZHMDUGN-TUAOUCFPSA-N 1 1 314.386 -1.497 20 0 DAADMO CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1)OC ZINC001219755736 780144536 /nfs/dbraw/zinc/14/45/36/780144536.db2.gz JQCKZGXPCQKMSL-MXWKQRLJSA-N 1 1 302.375 -1.498 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219754221 780144714 /nfs/dbraw/zinc/14/47/14/780144714.db2.gz WINSHMWQFLDEKD-TUAOUCFPSA-N 1 1 314.386 -1.354 20 0 DAADMO COCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)CC1 ZINC001219772639 780147000 /nfs/dbraw/zinc/14/70/00/780147000.db2.gz SKDUJASIPGUWJA-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803091 780147868 /nfs/dbraw/zinc/14/78/68/780147868.db2.gz KURRKJXGYXFWDZ-AXFHLTTASA-N 1 1 314.386 -2.305 20 0 DAADMO Cn1nc(N)cc1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808199 780149393 /nfs/dbraw/zinc/14/93/93/780149393.db2.gz XCETXHNLXBMSPV-UHFFFAOYSA-N 1 1 317.353 -1.018 20 0 DAADMO O=C(NCc1noc2c1CNCC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219809949 780150180 /nfs/dbraw/zinc/15/01/80/780150180.db2.gz XGOFSOLDKQTOBC-NSHDSACASA-N 1 1 307.354 -1.733 20 0 DAADMO Cn1ncnc1CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812067 780151665 /nfs/dbraw/zinc/15/16/65/780151665.db2.gz KGUCEROAENQWBY-OLZOCXBDSA-N 1 1 322.413 -1.039 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](O)C1 ZINC001219822954 780151730 /nfs/dbraw/zinc/15/17/30/780151730.db2.gz ZFAWJCYYHJHONU-RNJOBUHISA-N 1 1 302.371 -1.012 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001219822075 780151956 /nfs/dbraw/zinc/15/19/56/780151956.db2.gz BNTCSBQDBFAAMG-OLZOCXBDSA-N 1 1 324.381 -1.020 20 0 DAADMO NCC(=O)NCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835091 780153494 /nfs/dbraw/zinc/15/34/94/780153494.db2.gz WLMAZDARBZRGAZ-ZWNOBZJWSA-N 1 1 300.359 -2.427 20 0 DAADMO CC(=O)NCSC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831254 780153533 /nfs/dbraw/zinc/15/35/33/780153533.db2.gz DHAAXBHYRKYVNS-WYUUTHIRSA-N 1 1 316.427 -1.366 20 0 DAADMO Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C2)cn1 ZINC001219846982 780156262 /nfs/dbraw/zinc/15/62/62/780156262.db2.gz MYFBAVXOIJNCNV-NEPJUHHUSA-N 1 1 323.397 -1.365 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219866848 780159324 /nfs/dbraw/zinc/15/93/24/780159324.db2.gz BGEBPPJUVHIKHK-YIYPIFLZSA-N 1 1 315.414 -1.097 20 0 DAADMO [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904670 780162373 /nfs/dbraw/zinc/16/23/73/780162373.db2.gz YTUGHTJSHAOPFO-OIBJUYFYSA-N 1 1 301.372 -1.838 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001219923841 780162404 /nfs/dbraw/zinc/16/24/04/780162404.db2.gz DTDSFVYHSNARPM-ZJUUUORDSA-N 1 1 323.340 -1.044 20 0 DAADMO O=C(CCOC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219932385 780164665 /nfs/dbraw/zinc/16/46/65/780164665.db2.gz HAGGVJIGMPNCMU-XQQFMLRXSA-N 1 1 302.371 -1.274 20 0 DAADMO Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001219941885 780165852 /nfs/dbraw/zinc/16/58/52/780165852.db2.gz VUIBBBWUFJURAC-WQAKAFBOSA-N 1 1 324.381 -1.035 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](O)C1 ZINC001219949551 780166454 /nfs/dbraw/zinc/16/64/54/780166454.db2.gz JOZYPYDBLSDNJC-UHTWSYAYSA-N 1 1 310.354 -1.433 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969480 780167603 /nfs/dbraw/zinc/16/76/03/780167603.db2.gz BIAZAGFQERVWSZ-ZYHUDNBSSA-N 1 1 310.402 -1.635 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001219969332 780167752 /nfs/dbraw/zinc/16/77/52/780167752.db2.gz UZBYWSZYBNKKRX-MNOVXSKESA-N 1 1 313.354 -1.667 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219980506 780168536 /nfs/dbraw/zinc/16/85/36/780168536.db2.gz JLFVRMJGLKUZPG-SRVKXCTJSA-N 1 1 300.403 -1.341 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980506 780168544 /nfs/dbraw/zinc/16/85/44/780168544.db2.gz JLFVRMJGLKUZPG-SRVKXCTJSA-N 1 1 300.403 -1.341 20 0 DAADMO Cn1c(NC(=O)[C@@H](N)CSCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984786 780168791 /nfs/dbraw/zinc/16/87/91/780168791.db2.gz YRDWNBFMEWAYQA-YFKPBYRVSA-N 1 1 316.343 -1.159 20 0 DAADMO CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001219998575 780169251 /nfs/dbraw/zinc/16/92/51/780169251.db2.gz RFYVYSNUWWHFPQ-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001219998575 780169255 /nfs/dbraw/zinc/16/92/55/780169255.db2.gz RFYVYSNUWWHFPQ-NEPJUHHUSA-N 1 1 320.353 -1.064 20 0 DAADMO O=C(CCc1cncnc1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220010926 780170118 /nfs/dbraw/zinc/17/01/18/780170118.db2.gz IWEDJFLCAZAQGH-KGLIPLIRSA-N 1 1 324.381 -1.421 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2cncnc2)[C@@H](O)C1 ZINC001220014707 780170614 /nfs/dbraw/zinc/17/06/14/780170614.db2.gz VXUJEJIWJONGCB-MCIONIFRSA-N 1 1 324.381 -1.422 20 0 DAADMO CCCNC(=O)CN1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011138 780170663 /nfs/dbraw/zinc/17/06/63/780170663.db2.gz NCPJINWIUWBOFI-OLZOCXBDSA-N 1 1 323.397 -1.121 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001220010605 780170998 /nfs/dbraw/zinc/17/09/98/780170998.db2.gz APBFLAXBSAFUMY-UPJWGTAASA-N 1 1 312.370 -1.640 20 0 DAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020216 780171689 /nfs/dbraw/zinc/17/16/89/780171689.db2.gz AVCUURFATIVDHO-JTQLQIEISA-N 1 1 324.385 -1.280 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCC2)[C@@H](O)C1 ZINC001220027835 780172561 /nfs/dbraw/zinc/17/25/61/780172561.db2.gz PNFRNCISYFIKCC-UPJWGTAASA-N 1 1 316.398 -1.028 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)c1=O ZINC001220066514 780174792 /nfs/dbraw/zinc/17/47/92/780174792.db2.gz KBFJIJUZIWBMQQ-OLZOCXBDSA-N 1 1 323.397 -1.067 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220065406 780175338 /nfs/dbraw/zinc/17/53/38/780175338.db2.gz VTWDLLWRNWQOHF-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO O=C(COCC(F)F)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220065406 780175341 /nfs/dbraw/zinc/17/53/41/780175341.db2.gz VTWDLLWRNWQOHF-ZJUUUORDSA-N 1 1 319.312 -1.279 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220075706 780175357 /nfs/dbraw/zinc/17/53/57/780175357.db2.gz GHYPYLNSTFMJLE-HLTSFMKQSA-N 1 1 310.376 -3.418 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O)S(N)(=O)=O ZINC001220069165 780175570 /nfs/dbraw/zinc/17/55/70/780175570.db2.gz WOLFUEKVTVFRGW-OUAUKWLOSA-N 1 1 323.415 -1.749 20 0 DAADMO CCC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O)S(N)(=O)=O ZINC001220069165 780175576 /nfs/dbraw/zinc/17/55/76/780175576.db2.gz WOLFUEKVTVFRGW-OUAUKWLOSA-N 1 1 323.415 -1.749 20 0 DAADMO O=C(NCc1nn[nH]n1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220074291 780175882 /nfs/dbraw/zinc/17/58/82/780175882.db2.gz UWYMHOTWBAAFHL-MRVPVSSYSA-N 1 1 314.371 -1.770 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 ZINC001220078634 780176616 /nfs/dbraw/zinc/17/66/16/780176616.db2.gz XRBTXNJHJXBZLO-NGZCFLSTSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2coc(OC)n2)[C@@H](O)C1 ZINC001220078634 780176619 /nfs/dbraw/zinc/17/66/19/780176619.db2.gz XRBTXNJHJXBZLO-NGZCFLSTSA-N 1 1 315.326 -1.535 20 0 DAADMO COC[C@]1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CCOC1 ZINC001220082535 780176713 /nfs/dbraw/zinc/17/67/13/780176713.db2.gz VFQNPQUSIZKCFS-MBNYWOFBSA-N 1 1 302.371 -1.417 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@@H](O)C1 ZINC001220103915 780177870 /nfs/dbraw/zinc/17/78/70/780177870.db2.gz OMHYBZISRRILGA-XQQFMLRXSA-N 1 1 312.370 -1.558 20 0 DAADMO C[C@@H]([NH3+])c1ncc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)s1 ZINC001220118273 780179832 /nfs/dbraw/zinc/17/98/32/780179832.db2.gz UYLBHQHNRNKIGM-RXMKQEINSA-N 1 1 301.368 -1.005 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001220130136 780181078 /nfs/dbraw/zinc/18/10/78/780181078.db2.gz NYIKXBXARFSFDY-UPJWGTAASA-N 1 1 311.382 -1.290 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220132719 780181323 /nfs/dbraw/zinc/18/13/23/780181323.db2.gz QZQPKOWZLSHQKB-UPJWGTAASA-N 1 1 313.398 -1.044 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001220121929 780181520 /nfs/dbraw/zinc/18/15/20/780181520.db2.gz GTGPEDJDAMORIC-NEPJUHHUSA-N 1 1 314.386 -2.384 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220130172 780181875 /nfs/dbraw/zinc/18/18/75/780181875.db2.gz PITRSWZKCUTWDZ-KKZNHRDASA-N 1 1 314.342 -2.092 20 0 DAADMO CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132196 780181944 /nfs/dbraw/zinc/18/19/44/780181944.db2.gz FLWABUMQDXIHSH-WOPDTQHZSA-N 1 1 314.386 -1.402 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001220132289 780181963 /nfs/dbraw/zinc/18/19/63/780181963.db2.gz IQNXCAUZQUFRCC-WOPDTQHZSA-N 1 1 314.386 -1.402 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220136246 780183069 /nfs/dbraw/zinc/18/30/69/780183069.db2.gz UBOGTZBHYWYGIX-AXFHLTTASA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220136246 780183077 /nfs/dbraw/zinc/18/30/77/780183077.db2.gz UBOGTZBHYWYGIX-AXFHLTTASA-N 1 1 310.358 -2.049 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220138359 780184873 /nfs/dbraw/zinc/18/48/73/780184873.db2.gz YETMMJXCLPLTBH-AEJSXWLSSA-N 1 1 323.340 -1.059 20 0 DAADMO COC(=O)[C@@H]([NH3+])CCC(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143711 780184828 /nfs/dbraw/zinc/18/48/28/780184828.db2.gz SFIWYDFWMOGVSH-VIFPVBQESA-N 1 1 304.368 -1.040 20 0 DAADMO C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220138359 780184866 /nfs/dbraw/zinc/18/48/66/780184866.db2.gz YETMMJXCLPLTBH-AEJSXWLSSA-N 1 1 323.340 -1.059 20 0 DAADMO COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCF)[C@@H](O)C1 ZINC001220156497 780186882 /nfs/dbraw/zinc/18/68/82/780186882.db2.gz XURRZYQIWNCDPD-UPJWGTAASA-N 1 1 322.377 -1.079 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001220164887 780187383 /nfs/dbraw/zinc/18/73/83/780187383.db2.gz ZNXWTQNGCWFMHJ-TUAOUCFPSA-N 1 1 312.370 -1.489 20 0 DAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166499 780187776 /nfs/dbraw/zinc/18/77/76/780187776.db2.gz COKPKWJMGZIQNR-ASHKBJFXSA-N 1 1 312.414 -1.151 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](O)C1 ZINC001220174323 780188163 /nfs/dbraw/zinc/18/81/63/780188163.db2.gz ILDLBBTVFICPSV-RQVGPUOWSA-N 1 1 300.355 -1.953 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001220174653 780188213 /nfs/dbraw/zinc/18/82/13/780188213.db2.gz MHXYTFCOSYSXMB-TUAOUCFPSA-N 1 1 315.370 -2.365 20 0 DAADMO CN1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)C1=O ZINC001220174653 780188217 /nfs/dbraw/zinc/18/82/17/780188217.db2.gz MHXYTFCOSYSXMB-TUAOUCFPSA-N 1 1 315.370 -2.365 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](O)C1 ZINC001220164888 780188364 /nfs/dbraw/zinc/18/83/64/780188364.db2.gz ZNXWTQNGCWFMHJ-UTUOFQBUSA-N 1 1 312.370 -1.489 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001220174964 780188635 /nfs/dbraw/zinc/18/86/35/780188635.db2.gz QSGJKAMVJHKFBI-FHUSYTEZSA-N 1 1 300.355 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001220174964 780188640 /nfs/dbraw/zinc/18/86/40/780188640.db2.gz QSGJKAMVJHKFBI-FHUSYTEZSA-N 1 1 300.355 -1.951 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001220224399 780190665 /nfs/dbraw/zinc/19/06/65/780190665.db2.gz LPNFDTIJNGOMPI-MNOVXSKESA-N 1 1 312.326 -2.446 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001220224399 780190670 /nfs/dbraw/zinc/19/06/70/780190670.db2.gz LPNFDTIJNGOMPI-MNOVXSKESA-N 1 1 312.326 -2.446 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207905 780190838 /nfs/dbraw/zinc/19/08/38/780190838.db2.gz YMUKZIGVNDQEEX-KKOKHZNYSA-N 1 1 315.370 -2.224 20 0 DAADMO CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225259 780191344 /nfs/dbraw/zinc/19/13/44/780191344.db2.gz JDNPSHSZJUJHQV-NEPJUHHUSA-N 1 1 310.354 -1.030 20 0 DAADMO Cn1cc(OCC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)cn1 ZINC001220227217 780192388 /nfs/dbraw/zinc/19/23/88/780192388.db2.gz LAXRZAKCTCFZMR-YUTCNCBUSA-N 1 1 324.381 -1.003 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236913 780192693 /nfs/dbraw/zinc/19/26/93/780192693.db2.gz JYKHYWHCLCTHDA-MXWKQRLJSA-N 1 1 316.358 -2.508 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236913 780192698 /nfs/dbraw/zinc/19/26/98/780192698.db2.gz JYKHYWHCLCTHDA-MXWKQRLJSA-N 1 1 316.358 -2.508 20 0 DAADMO COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236873 780192787 /nfs/dbraw/zinc/19/27/87/780192787.db2.gz IIHCELVHGYKWDX-AXFHLTTASA-N 1 1 300.359 -1.744 20 0 DAADMO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242871 780193576 /nfs/dbraw/zinc/19/35/76/780193576.db2.gz FBDZZIMWWVNSJX-MXWKQRLJSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242871 780193584 /nfs/dbraw/zinc/19/35/84/780193584.db2.gz FBDZZIMWWVNSJX-MXWKQRLJSA-N 1 1 303.359 -2.334 20 0 DAADMO CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242677 780193848 /nfs/dbraw/zinc/19/38/48/780193848.db2.gz BHJAMOYAPORXPD-ZJUUUORDSA-N 1 1 302.331 -3.214 20 0 DAADMO CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242677 780193852 /nfs/dbraw/zinc/19/38/52/780193852.db2.gz BHJAMOYAPORXPD-ZJUUUORDSA-N 1 1 302.331 -3.214 20 0 DAADMO CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242870 780193863 /nfs/dbraw/zinc/19/38/63/780193863.db2.gz FBDZZIMWWVNSJX-AXFHLTTASA-N 1 1 303.359 -2.334 20 0 DAADMO CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001220242870 780193866 /nfs/dbraw/zinc/19/38/66/780193866.db2.gz FBDZZIMWWVNSJX-AXFHLTTASA-N 1 1 303.359 -2.334 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237329 780194005 /nfs/dbraw/zinc/19/40/05/780194005.db2.gz SYXKFLYFSKLWHQ-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220237187 780194224 /nfs/dbraw/zinc/19/42/24/780194224.db2.gz QHJXOKMUAUPFOV-OLZOCXBDSA-N 1 1 303.403 -1.502 20 0 DAADMO CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237491 780194261 /nfs/dbraw/zinc/19/42/61/780194261.db2.gz YTOBJUXQVIBBLP-TUAOUCFPSA-N 1 1 314.386 -1.498 20 0 DAADMO CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220237491 780194265 /nfs/dbraw/zinc/19/42/65/780194265.db2.gz YTOBJUXQVIBBLP-TUAOUCFPSA-N 1 1 314.386 -1.498 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220246205 780195092 /nfs/dbraw/zinc/19/50/92/780195092.db2.gz PFRSHLQXYFZAKN-UTUOFQBUSA-N 1 1 311.382 -1.160 20 0 DAADMO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001220257699 780197309 /nfs/dbraw/zinc/19/73/09/780197309.db2.gz LAVHTSSNBNSSTD-UTUOFQBUSA-N 1 1 311.382 -1.018 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220256038 780197375 /nfs/dbraw/zinc/19/73/75/780197375.db2.gz BVVCGLSTZRIPBH-BBBLOLIVSA-N 1 1 301.343 -2.580 20 0 DAADMO COCCOCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220274841 780198670 /nfs/dbraw/zinc/19/86/70/780198670.db2.gz GGJYRMXZGYJALF-OLZOCXBDSA-N 1 1 303.403 -1.238 20 0 DAADMO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220276435 780198788 /nfs/dbraw/zinc/19/87/88/780198788.db2.gz AHOUUBVLSBHIOF-UPJWGTAASA-N 1 1 322.413 -1.122 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275172 780198997 /nfs/dbraw/zinc/19/89/97/780198997.db2.gz QRTOEBAPQGJHEH-KKZNHRDASA-N 1 1 314.342 -2.092 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297286 780200053 /nfs/dbraw/zinc/20/00/53/780200053.db2.gz SXODHOSFOBTYGD-YIYPIFLZSA-N 1 1 317.430 -1.259 20 0 DAADMO CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291110 780200693 /nfs/dbraw/zinc/20/06/93/780200693.db2.gz LXASNAZXOGRAFT-SNVBAGLBSA-N 1 1 319.387 -2.350 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCC(=O)N1 ZINC001220293432 780200736 /nfs/dbraw/zinc/20/07/36/780200736.db2.gz HKQXLQWKZGTZCO-SUNKGSAMSA-N 1 1 315.370 -2.175 20 0 DAADMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CCC(=O)N1 ZINC001220293432 780200742 /nfs/dbraw/zinc/20/07/42/780200742.db2.gz HKQXLQWKZGTZCO-SUNKGSAMSA-N 1 1 315.370 -2.175 20 0 DAADMO C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCCN2C(=O)CN)CC1 ZINC001220306822 780202052 /nfs/dbraw/zinc/20/20/52/780202052.db2.gz PDVFACPQFZVQKV-ZDUSSCGKSA-N 1 1 311.430 -1.310 20 0 DAADMO C[N@H+]1CCCN(CCNC(=O)[C@@H]2CCCN2C(=O)CN)CC1 ZINC001220306822 780202059 /nfs/dbraw/zinc/20/20/59/780202059.db2.gz PDVFACPQFZVQKV-ZDUSSCGKSA-N 1 1 311.430 -1.310 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220317979 780202679 /nfs/dbraw/zinc/20/26/79/780202679.db2.gz BVOJMWSUQLEGOO-GRYCIOLGSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220317979 780202683 /nfs/dbraw/zinc/20/26/83/780202683.db2.gz BVOJMWSUQLEGOO-GRYCIOLGSA-N 1 1 313.358 -1.899 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220318104 780202816 /nfs/dbraw/zinc/20/28/16/780202816.db2.gz GXKKNSUDRNFXIF-WOPDTQHZSA-N 1 1 306.359 -2.182 20 0 DAADMO COC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220318104 780202824 /nfs/dbraw/zinc/20/28/24/780202824.db2.gz GXKKNSUDRNFXIF-WOPDTQHZSA-N 1 1 306.359 -2.182 20 0 DAADMO CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351649 780204852 /nfs/dbraw/zinc/20/48/52/780204852.db2.gz CRWMCDSVSDEBSK-UPJWGTAASA-N 1 1 312.414 -1.232 20 0 DAADMO COc1ccc(CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)nn1 ZINC001220343170 780204986 /nfs/dbraw/zinc/20/49/86/780204986.db2.gz FXAUZVHGZRTHOJ-GFCCVEGCSA-N 1 1 308.386 -1.148 20 0 DAADMO O=C(NCc1c[nH]nn1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220329553 780205237 /nfs/dbraw/zinc/20/52/37/780205237.db2.gz STPHDSSJJGELFM-SNVBAGLBSA-N 1 1 313.383 -1.165 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001220372989 780206533 /nfs/dbraw/zinc/20/65/33/780206533.db2.gz UPRAYRGQXXXXSO-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)[nH]1 ZINC001220372989 780206539 /nfs/dbraw/zinc/20/65/39/780206539.db2.gz UPRAYRGQXXXXSO-NEPJUHHUSA-N 1 1 312.370 -1.190 20 0 DAADMO O=C(CCc1cn[nH]n1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220391827 780210235 /nfs/dbraw/zinc/21/02/35/780210235.db2.gz QOISMWJUXPADKJ-UHTWSYAYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220391827 780210240 /nfs/dbraw/zinc/21/02/40/780210240.db2.gz QOISMWJUXPADKJ-UHTWSYAYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1c[nH]nn1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220391827 780210245 /nfs/dbraw/zinc/21/02/45/780210245.db2.gz QOISMWJUXPADKJ-UHTWSYAYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220391827 780210250 /nfs/dbraw/zinc/21/02/50/780210250.db2.gz QOISMWJUXPADKJ-UHTWSYAYSA-N 1 1 309.370 -1.065 20 0 DAADMO O=C(CCc1cnn[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220391827 780210253 /nfs/dbraw/zinc/21/02/53/780210253.db2.gz QOISMWJUXPADKJ-UHTWSYAYSA-N 1 1 309.370 -1.065 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220401652 780210905 /nfs/dbraw/zinc/21/09/05/780210905.db2.gz HWAZMISLZIKTRV-UPJWGTAASA-N 1 1 317.386 -1.929 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220401652 780210912 /nfs/dbraw/zinc/21/09/12/780210912.db2.gz HWAZMISLZIKTRV-UPJWGTAASA-N 1 1 317.386 -1.929 20 0 DAADMO O=C(CNC(=O)c1cccnc1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220399216 780211167 /nfs/dbraw/zinc/21/11/67/780211167.db2.gz FZURUQUBUACZSK-OLZOCXBDSA-N 1 1 322.365 -1.645 20 0 DAADMO CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001220427269 780211832 /nfs/dbraw/zinc/21/18/32/780211832.db2.gz CEJKEDGIEXQLHU-AXFHLTTASA-N 1 1 312.370 -1.064 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428398 780213459 /nfs/dbraw/zinc/21/34/59/780213459.db2.gz ZAPSSWHWQDEACZ-AEJSXWLSSA-N 1 1 309.388 -2.268 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220428693 780213483 /nfs/dbraw/zinc/21/34/83/780213483.db2.gz CMBCFOSVXIJZCG-NEPJUHHUSA-N 1 1 320.397 -1.366 20 0 DAADMO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2COCCN2)cc1 ZINC001220428910 780213550 /nfs/dbraw/zinc/21/35/50/780213550.db2.gz HJWOFRMEYMRFMZ-OLZOCXBDSA-N 1 1 306.366 -1.240 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](O)C1 ZINC001220436720 780213935 /nfs/dbraw/zinc/21/39/35/780213935.db2.gz DUPMNIJLIQUXKK-XQQFMLRXSA-N 1 1 312.370 -1.640 20 0 DAADMO N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431812 780214254 /nfs/dbraw/zinc/21/42/54/780214254.db2.gz QNGHLNDSBBEZRO-KGLIPLIRSA-N 1 1 320.393 -1.223 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220439032 780214369 /nfs/dbraw/zinc/21/43/69/780214369.db2.gz DURPMPQDIMWIKM-AEJSXWLSSA-N 1 1 324.403 -3.076 20 0 DAADMO O=C(NC[C@@H]1COCCN1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220429432 780214863 /nfs/dbraw/zinc/21/48/63/780214863.db2.gz RMGIQPLFBSFUTM-GHMZBOCLSA-N 1 1 321.385 -1.971 20 0 DAADMO CC(=O)OC[C@H](N)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481709 780217502 /nfs/dbraw/zinc/21/75/02/780217502.db2.gz OHQDWECFHUUDNL-SBFPOUOMSA-N 1 1 303.359 -1.282 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220508834 780219300 /nfs/dbraw/zinc/21/93/00/780219300.db2.gz YTKTYIQXLCIEIH-OLZOCXBDSA-N 1 1 323.397 -1.398 20 0 DAADMO CC(C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509665 780220019 /nfs/dbraw/zinc/22/00/19/780220019.db2.gz KFFFGTNPMAFXIZ-ZJUUUORDSA-N 1 1 307.416 -1.116 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220509537 780220065 /nfs/dbraw/zinc/22/00/65/780220065.db2.gz CMVICFDITVGRDN-BBBLOLIVSA-N 1 1 323.415 -2.144 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220508265 780220133 /nfs/dbraw/zinc/22/01/33/780220133.db2.gz FMQRUMXLHJRQNS-MXWKQRLJSA-N 1 1 312.370 -2.095 20 0 DAADMO CN(C)C(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220508265 780220136 /nfs/dbraw/zinc/22/01/36/780220136.db2.gz FMQRUMXLHJRQNS-MXWKQRLJSA-N 1 1 312.370 -2.095 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519245 780223549 /nfs/dbraw/zinc/22/35/49/780223549.db2.gz HQRLGQNBSHATQQ-NSHDSACASA-N 1 1 302.375 -1.956 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001220541192 780224717 /nfs/dbraw/zinc/22/47/17/780224717.db2.gz YOFMVQDAMXVZOD-NEPJUHHUSA-N 1 1 313.358 -1.747 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001220541192 780224720 /nfs/dbraw/zinc/22/47/20/780224720.db2.gz YOFMVQDAMXVZOD-NEPJUHHUSA-N 1 1 313.358 -1.747 20 0 DAADMO CNC(=O)C1(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2O)CC1 ZINC001220544496 780224793 /nfs/dbraw/zinc/22/47/93/780224793.db2.gz LKFBCXALEWNELV-UTUOFQBUSA-N 1 1 313.398 -1.165 20 0 DAADMO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553916 780225917 /nfs/dbraw/zinc/22/59/17/780225917.db2.gz XZOUTYJVFVRUJF-MCIONIFRSA-N 1 1 315.414 -1.095 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220557900 780225943 /nfs/dbraw/zinc/22/59/43/780225943.db2.gz CBODSRCDVXDNFA-AXFHLTTASA-N 1 1 316.358 -3.090 20 0 DAADMO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220557900 780225949 /nfs/dbraw/zinc/22/59/49/780225949.db2.gz CBODSRCDVXDNFA-AXFHLTTASA-N 1 1 316.358 -3.090 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220561749 780225985 /nfs/dbraw/zinc/22/59/85/780225985.db2.gz KBOMLZFNFWYGNH-OLZOCXBDSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220561749 780225989 /nfs/dbraw/zinc/22/59/89/780225989.db2.gz KBOMLZFNFWYGNH-OLZOCXBDSA-N 1 1 323.397 -1.041 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220557901 780226118 /nfs/dbraw/zinc/22/61/18/780226118.db2.gz CBODSRCDVXDNFA-MXWKQRLJSA-N 1 1 316.358 -3.090 20 0 DAADMO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220557901 780226128 /nfs/dbraw/zinc/22/61/28/780226128.db2.gz CBODSRCDVXDNFA-MXWKQRLJSA-N 1 1 316.358 -3.090 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001220561307 780227018 /nfs/dbraw/zinc/22/70/18/780227018.db2.gz ATPASTGKNFISMS-ZJUUUORDSA-N 1 1 314.342 -2.264 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553619 780227165 /nfs/dbraw/zinc/22/71/65/780227165.db2.gz NACNWIULNYMEPO-KGLIPLIRSA-N 1 1 315.414 -1.094 20 0 DAADMO CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@@H](O)C1 ZINC001220558209 780227304 /nfs/dbraw/zinc/22/73/04/780227304.db2.gz PEHUSEBQKBGIEF-UTUOFQBUSA-N 1 1 314.386 -1.672 20 0 DAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CC2(COC2)C1 ZINC001220570832 780228372 /nfs/dbraw/zinc/22/83/72/780228372.db2.gz AVEQDUWJXCTBTH-CYBMUJFWSA-N 1 1 311.430 -1.815 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC001220603938 780234483 /nfs/dbraw/zinc/23/44/83/780234483.db2.gz UHWNVENIGPPXFB-NEPJUHHUSA-N 1 1 312.370 -1.224 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220606441 780235089 /nfs/dbraw/zinc/23/50/89/780235089.db2.gz SQMYODIJZFCLDL-UPJWGTAASA-N 1 1 324.385 -1.206 20 0 DAADMO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220606500 780235200 /nfs/dbraw/zinc/23/52/00/780235200.db2.gz VMAVWSXCGGHERH-UPJWGTAASA-N 1 1 324.385 -1.349 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220621097 780235384 /nfs/dbraw/zinc/23/53/84/780235384.db2.gz XBXYCWDEPFDBAY-SFYZADRCSA-N 1 1 313.276 -1.791 20 0 DAADMO O=C(NCC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220621097 780235387 /nfs/dbraw/zinc/23/53/87/780235387.db2.gz XBXYCWDEPFDBAY-SFYZADRCSA-N 1 1 313.276 -1.791 20 0 DAADMO O=C(CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)NC1CCCC1 ZINC001220609343 780235931 /nfs/dbraw/zinc/23/59/31/780235931.db2.gz RUUPVTVVDSOVLE-OLZOCXBDSA-N 1 1 313.398 -1.021 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220656428 780236747 /nfs/dbraw/zinc/23/67/47/780236747.db2.gz BKLRIOMPJLNVIX-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO O=C(CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)NCC(F)(F)F ZINC001220651883 780236989 /nfs/dbraw/zinc/23/69/89/780236989.db2.gz NZGYCACDXFMDJR-SFYZADRCSA-N 1 1 313.276 -1.791 20 0 DAADMO COCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637332 780237467 /nfs/dbraw/zinc/23/74/67/780237467.db2.gz BSVQNCDGYIHORM-KGLIPLIRSA-N 1 1 315.414 -1.095 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220688511 780239142 /nfs/dbraw/zinc/23/91/42/780239142.db2.gz JGGDBNXPWYITIC-UPJWGTAASA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661399 780239181 /nfs/dbraw/zinc/23/91/81/780239181.db2.gz PRTFJSRXZNRTRB-AXFHLTTASA-N 1 1 313.358 -2.126 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220688464 780239256 /nfs/dbraw/zinc/23/92/56/780239256.db2.gz HQXXHCQUIONIIX-XQQFMLRXSA-N 1 1 314.430 -1.034 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661400 780239290 /nfs/dbraw/zinc/23/92/90/780239290.db2.gz PRTFJSRXZNRTRB-MXWKQRLJSA-N 1 1 313.358 -2.126 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220682875 780239440 /nfs/dbraw/zinc/23/94/40/780239440.db2.gz FLSJHSZCZJOAPP-ZJUUUORDSA-N 1 1 315.374 -2.316 20 0 DAADMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220683769 780239570 /nfs/dbraw/zinc/23/95/70/780239570.db2.gz ZKIPMDMOEHAQDI-AGIUHOORSA-N 1 1 312.414 -1.232 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2nonc2C)[C@@H](O)C1 ZINC001220656777 780240006 /nfs/dbraw/zinc/24/00/06/780240006.db2.gz PNKTXMNEXQBAIL-JLLWLGSASA-N 1 1 314.342 -1.911 20 0 DAADMO COCCCOCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220713864 780241634 /nfs/dbraw/zinc/24/16/34/780241634.db2.gz MRXUPFHRHFRJFO-OLZOCXBDSA-N 1 1 304.387 -1.027 20 0 DAADMO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)N1CCCC1=O ZINC001220749897 780242627 /nfs/dbraw/zinc/24/26/27/780242627.db2.gz AEDUBMMDWZBMSO-XQQFMLRXSA-N 1 1 313.398 -1.069 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)n1 ZINC001220732055 780243769 /nfs/dbraw/zinc/24/37/69/780243769.db2.gz IINKLBIPKIABHW-ZJUUUORDSA-N 1 1 314.342 -1.698 20 0 DAADMO CCc1noc(COCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC001220732055 780243775 /nfs/dbraw/zinc/24/37/75/780243775.db2.gz IINKLBIPKIABHW-ZJUUUORDSA-N 1 1 314.342 -1.698 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCCC(N)=O)[C@@H](O)C1 ZINC001220724467 780244253 /nfs/dbraw/zinc/24/42/53/780244253.db2.gz QCVGTKHLCWTQAH-UTUOFQBUSA-N 1 1 317.386 -1.799 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](O)C1 ZINC001220757380 780245100 /nfs/dbraw/zinc/24/51/00/780245100.db2.gz CAYLJDGHQPXLJX-XQQFMLRXSA-N 1 1 312.370 -1.869 20 0 DAADMO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1COCC[NH2+]1 ZINC001220757158 780245591 /nfs/dbraw/zinc/24/55/91/780245591.db2.gz VZUGYUIPHLEFFQ-NSHDSACASA-N 1 1 305.400 -1.789 20 0 DAADMO NC(=O)c1ccccc1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220766864 780245625 /nfs/dbraw/zinc/24/56/25/780245625.db2.gz IIKILIKEPUDWLC-KGLIPLIRSA-N 1 1 321.377 -1.128 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785433 780246668 /nfs/dbraw/zinc/24/66/68/780246668.db2.gz PFPVVPLVGWUBKE-TUAOUCFPSA-N 1 1 301.387 -1.213 20 0 DAADMO COC[C@H](O)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771350 780247601 /nfs/dbraw/zinc/24/76/01/780247601.db2.gz PJNPTRVMCRYLCL-UPJWGTAASA-N 1 1 313.398 -1.749 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](O)C1 ZINC001220785434 780247801 /nfs/dbraw/zinc/24/78/01/780247801.db2.gz PFPVVPLVGWUBKE-UTUOFQBUSA-N 1 1 301.387 -1.213 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799025 780248413 /nfs/dbraw/zinc/24/84/13/780248413.db2.gz LXILQLHNKLKTCU-AXFHLTTASA-N 1 1 301.343 -2.565 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001220799025 780248422 /nfs/dbraw/zinc/24/84/22/780248422.db2.gz LXILQLHNKLKTCU-AXFHLTTASA-N 1 1 301.343 -2.565 20 0 DAADMO CCCNC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220793519 780248614 /nfs/dbraw/zinc/24/86/14/780248614.db2.gz ZFKNNYHRYCFUPH-NEPJUHHUSA-N 1 1 301.387 -1.164 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](O)C1 ZINC001220815144 780248648 /nfs/dbraw/zinc/24/86/48/780248648.db2.gz BVDMGYGRAXTMKG-OLZOCXBDSA-N 1 1 324.381 -1.250 20 0 DAADMO CC(C)NC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220792949 780248666 /nfs/dbraw/zinc/24/86/66/780248666.db2.gz KBOZPSJHFUOHDY-NEPJUHHUSA-N 1 1 301.387 -1.165 20 0 DAADMO CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C[NH2+]C1 ZINC001220830461 780250443 /nfs/dbraw/zinc/25/04/43/780250443.db2.gz XRUSUDKIVDIIEL-CBAPKCEASA-N 1 1 314.342 -2.653 20 0 DAADMO CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220829527 780250866 /nfs/dbraw/zinc/25/08/66/780250866.db2.gz WCWPGWFVLWHETJ-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@@H]1O ZINC001220829527 780250873 /nfs/dbraw/zinc/25/08/73/780250873.db2.gz WCWPGWFVLWHETJ-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220829527 780250878 /nfs/dbraw/zinc/25/08/78/780250878.db2.gz WCWPGWFVLWHETJ-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220829527 780250887 /nfs/dbraw/zinc/25/08/87/780250887.db2.gz WCWPGWFVLWHETJ-XQQFMLRXSA-N 1 1 303.403 -1.503 20 0 DAADMO CCOC(=O)C1=C(NC(=O)C2(C(=O)OCC)CNC2)C[NH2+]C1 ZINC001220828085 780251148 /nfs/dbraw/zinc/25/11/48/780251148.db2.gz GGMILSJMCAERSY-UHFFFAOYSA-N 1 1 311.338 -1.324 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001220826283 780251303 /nfs/dbraw/zinc/25/13/03/780251303.db2.gz WCNCUDNLTPRXOB-OLZOCXBDSA-N 1 1 314.430 -1.032 20 0 DAADMO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220826294 780251366 /nfs/dbraw/zinc/25/13/66/780251366.db2.gz WPFSGZLLVFLANV-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@@H]1O ZINC001220826294 780251369 /nfs/dbraw/zinc/25/13/69/780251369.db2.gz WPFSGZLLVFLANV-MJBXVCDLSA-N 1 1 317.430 -1.113 20 0 DAADMO CC[N@@H+]1C[C@@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001220853507 780252729 /nfs/dbraw/zinc/25/27/29/780252729.db2.gz CYOZXQLNRNLKBD-JFGNBEQYSA-N 1 1 305.400 -1.361 20 0 DAADMO CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCNC(N)=O)CNC1 ZINC001220851063 780252769 /nfs/dbraw/zinc/25/27/69/780252769.db2.gz GAJRRFUNNZKOKE-QMMMGPOBSA-N 1 1 301.347 -2.217 20 0 DAADMO CCOC(=O)C1(NC(=O)c2cnc3n2CC[NH2+]CC3)CNC1 ZINC001220853380 780252790 /nfs/dbraw/zinc/25/27/90/780252790.db2.gz YIXJIHLRMGQBFD-UHFFFAOYSA-N 1 1 307.354 -1.336 20 0 DAADMO CCOC(=O)C1(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CNC1 ZINC001220851334 780252821 /nfs/dbraw/zinc/25/28/21/780252821.db2.gz RARYPPCBYBSRQT-JTQLQIEISA-N 1 1 312.370 -1.653 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)c1cnn2cc[nH]c12 ZINC001220847973 780252962 /nfs/dbraw/zinc/25/29/62/780252962.db2.gz BWZPRCMKIGATML-NEPJUHHUSA-N 1 1 323.353 -1.554 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)c1cnn2cc[nH]c12 ZINC001220847973 780252972 /nfs/dbraw/zinc/25/29/72/780252972.db2.gz BWZPRCMKIGATML-NEPJUHHUSA-N 1 1 323.353 -1.554 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](O)C1 ZINC001220848084 780252998 /nfs/dbraw/zinc/25/29/98/780252998.db2.gz HVTUTLMWFORRIP-JLLWLGSASA-N 1 1 323.353 -1.555 20 0 DAADMO CC(C)(C)[N@H+]1CCN[C@H](C(=O)NCCN2CCNCC2=O)C1 ZINC001220874676 780255074 /nfs/dbraw/zinc/25/50/74/780255074.db2.gz LGVCCGWYJQURGU-LBPRGKRZSA-N 1 1 311.430 -1.393 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)[C@@H](O)C1 ZINC001220890084 780256776 /nfs/dbraw/zinc/25/67/76/780256776.db2.gz UEDZOCDAGFBTFK-TUAOUCFPSA-N 1 1 311.338 -1.431 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220879199 780256837 /nfs/dbraw/zinc/25/68/37/780256837.db2.gz KNPKRTAAJWOXPQ-NEPJUHHUSA-N 1 1 319.427 -1.161 20 0 DAADMO COCC[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879201 780257247 /nfs/dbraw/zinc/25/72/47/780257247.db2.gz KPKKYDVVZRGHJH-ZJUUUORDSA-N 1 1 309.388 -2.315 20 0 DAADMO COCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001220879201 780257249 /nfs/dbraw/zinc/25/72/49/780257249.db2.gz KPKKYDVVZRGHJH-ZJUUUORDSA-N 1 1 309.388 -2.315 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](O)C1 ZINC001220905714 780258352 /nfs/dbraw/zinc/25/83/52/780258352.db2.gz WBIJHTJVMRZAMJ-AXFHLTTASA-N 1 1 311.338 -1.449 20 0 DAADMO NCC(=O)N1CCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903688 780258620 /nfs/dbraw/zinc/25/86/20/780258620.db2.gz XPGOGWSKNGVQRR-VIFPVBQESA-N 1 1 317.350 -2.399 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220934138 780259890 /nfs/dbraw/zinc/25/98/90/780259890.db2.gz UKYOLKZPVRGWNF-UTUOFQBUSA-N 1 1 324.381 -1.064 20 0 DAADMO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220933676 780260290 /nfs/dbraw/zinc/26/02/90/780260290.db2.gz IGNIKFALOZQJHM-YIZRAAEISA-N 1 1 300.315 -2.872 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220935641 780260511 /nfs/dbraw/zinc/26/05/11/780260511.db2.gz ORAONYOKABRNOM-AXFHLTTASA-N 1 1 300.359 -1.757 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220933675 780260897 /nfs/dbraw/zinc/26/08/97/780260897.db2.gz IGNIKFALOZQJHM-HLTSFMKQSA-N 1 1 300.315 -2.872 20 0 DAADMO Cc1ccccc1C(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220929032 780260944 /nfs/dbraw/zinc/26/09/44/780260944.db2.gz SRYVWFJCZLHNHI-KGLIPLIRSA-N 1 1 321.377 -1.122 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220933937 780261106 /nfs/dbraw/zinc/26/11/06/780261106.db2.gz POQOINSOMGGJHT-BBBLOLIVSA-N 1 1 314.342 -2.482 20 0 DAADMO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220935347 780261238 /nfs/dbraw/zinc/26/12/38/780261238.db2.gz AVWOQGJBHDMUPR-ZJUUUORDSA-N 1 1 304.347 -2.785 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220944342 780262959 /nfs/dbraw/zinc/26/29/59/780262959.db2.gz IPNQLZKIXAZYMS-ZJUUUORDSA-N 1 1 314.342 -2.528 20 0 DAADMO O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220940335 780263225 /nfs/dbraw/zinc/26/32/25/780263225.db2.gz TUUGLWMMYWZZRH-MXWKQRLJSA-N 1 1 310.354 -1.454 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)no1 ZINC001220973591 780264267 /nfs/dbraw/zinc/26/42/67/780264267.db2.gz PQKNCDPPYSYJBS-QNSHHTMESA-N 1 1 312.326 -1.536 20 0 DAADMO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)no1 ZINC001220973591 780264273 /nfs/dbraw/zinc/26/42/73/780264273.db2.gz PQKNCDPPYSYJBS-QNSHHTMESA-N 1 1 312.326 -1.536 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCNC(=O)C3CC3)C[C@@H]2O)C1 ZINC001220976253 780264295 /nfs/dbraw/zinc/26/42/95/780264295.db2.gz QTPFLSCZCIQZEJ-MCIONIFRSA-N 1 1 324.425 -1.374 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NC(N)=O)C[C@@H]2O)C1 ZINC001220976180 780264481 /nfs/dbraw/zinc/26/44/81/780264481.db2.gz NCYUTHYLOGKGIK-AEJSXWLSSA-N 1 1 313.358 -2.706 20 0 DAADMO CC(C)NC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975935 780265349 /nfs/dbraw/zinc/26/53/49/780265349.db2.gz BGNCEEWBIHDBBN-XQQFMLRXSA-N 1 1 312.414 -1.376 20 0 DAADMO COCCOCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975997 780265407 /nfs/dbraw/zinc/26/54/07/780265407.db2.gz FAUHHCZARXUGDJ-MJBXVCDLSA-N 1 1 315.414 -1.238 20 0 DAADMO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220991255 780266567 /nfs/dbraw/zinc/26/65/67/780266567.db2.gz XZJAADQFZFFGGS-MXWKQRLJSA-N 1 1 307.416 -1.257 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220992663 780267592 /nfs/dbraw/zinc/26/75/92/780267592.db2.gz GBFJUPPCKBNMRH-AEJSXWLSSA-N 1 1 309.388 -2.268 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)OC)C[C@@H]1O ZINC001220992663 780267594 /nfs/dbraw/zinc/26/75/94/780267594.db2.gz GBFJUPPCKBNMRH-AEJSXWLSSA-N 1 1 309.388 -2.268 20 0 DAADMO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001220991254 780267726 /nfs/dbraw/zinc/26/77/26/780267726.db2.gz XZJAADQFZFFGGS-AXFHLTTASA-N 1 1 307.416 -1.257 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221007173 780268852 /nfs/dbraw/zinc/26/88/52/780268852.db2.gz YQBYSNXNSLEKQK-FDYHWXHSSA-N 1 1 312.414 -1.328 20 0 DAADMO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001221007016 780269112 /nfs/dbraw/zinc/26/91/12/780269112.db2.gz RQYIVRHIEFKUGK-IJLUTSLNSA-N 1 1 300.403 -1.199 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221022977 780270795 /nfs/dbraw/zinc/27/07/95/780270795.db2.gz WBPKYUBWHDRLIT-AXFHLTTASA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221022977 780270803 /nfs/dbraw/zinc/27/08/03/780270803.db2.gz WBPKYUBWHDRLIT-AXFHLTTASA-N 1 1 311.338 -1.449 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](O)C1 ZINC001221057046 780271412 /nfs/dbraw/zinc/27/14/12/780271412.db2.gz VNLPIZYRTFVOFI-RTXFEEFZSA-N 1 1 322.365 -1.647 20 0 DAADMO NC(=O)c1ccc(OCC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC001221014786 780271769 /nfs/dbraw/zinc/27/17/69/780271769.db2.gz YLWFIZNSTOVBMV-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO NC(=O)c1ccc(OCC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cc1 ZINC001221014786 780271777 /nfs/dbraw/zinc/27/17/77/780271777.db2.gz YLWFIZNSTOVBMV-OLZOCXBDSA-N 1 1 323.349 -1.682 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 ZINC001221077884 780273465 /nfs/dbraw/zinc/27/34/65/780273465.db2.gz WARSSPOQEMGMNN-MNOVXSKESA-N 1 1 316.402 -1.108 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)COC)C[C@@H]1O ZINC001221077406 780273772 /nfs/dbraw/zinc/27/37/72/780273772.db2.gz JVQSAOHUPYOEKU-AXFHLTTASA-N 1 1 316.402 -1.110 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001221075628 780273794 /nfs/dbraw/zinc/27/37/94/780273794.db2.gz LAYJMXRWMKTBCO-AEJSXWLSSA-N 1 1 302.375 -1.764 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089524 780274746 /nfs/dbraw/zinc/27/47/46/780274746.db2.gz JUHNQGHTQUSWDN-XQQFMLRXSA-N 1 1 303.403 -1.505 20 0 DAADMO COC[C@@H](O)CN1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089524 780274754 /nfs/dbraw/zinc/27/47/54/780274754.db2.gz JUHNQGHTQUSWDN-XQQFMLRXSA-N 1 1 303.403 -1.505 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001221089902 780275731 /nfs/dbraw/zinc/27/57/31/780275731.db2.gz SUDPGLCAXYAMDP-OLZOCXBDSA-N 1 1 310.402 -1.183 20 0 DAADMO C[NH+](C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)c1ccccc1 ZINC001221096424 780276268 /nfs/dbraw/zinc/27/62/68/780276268.db2.gz SLIRXTRFGYAAAU-VNHYZAJKSA-N 1 1 320.393 -1.064 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001221093139 780276555 /nfs/dbraw/zinc/27/65/55/780276555.db2.gz CTSJDBGVBPJCJP-OLZOCXBDSA-N 1 1 312.414 -1.234 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001221104520 780277428 /nfs/dbraw/zinc/27/74/28/780277428.db2.gz XOAQVDGFTKYKMG-PWSUYJOCSA-N 1 1 312.370 -1.465 20 0 DAADMO NCC(=O)NCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114192 780278582 /nfs/dbraw/zinc/27/85/82/780278582.db2.gz QMFMJTGSBUFBEH-UHFFFAOYSA-N 1 1 305.382 -1.106 20 0 DAADMO CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](O)C1 ZINC001221172365 780282538 /nfs/dbraw/zinc/28/25/38/780282538.db2.gz SQLQYSDJPSZXGH-WOPDTQHZSA-N 1 1 314.386 -1.273 20 0 DAADMO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](O)C1 ZINC001221189970 780284125 /nfs/dbraw/zinc/28/41/25/780284125.db2.gz TXNIDCYHRRMEDQ-UHTWSYAYSA-N 1 1 311.386 -1.056 20 0 DAADMO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)CN ZINC001221190267 780284719 /nfs/dbraw/zinc/28/47/19/780284719.db2.gz GWHCCCMYWOLDQT-QWRGUYRKSA-N 1 1 316.402 -1.127 20 0 DAADMO COCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221199944 780284760 /nfs/dbraw/zinc/28/47/60/780284760.db2.gz CPJBHTAJIDHFFX-AXFHLTTASA-N 1 1 313.354 -1.763 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001221250822 780285635 /nfs/dbraw/zinc/28/56/35/780285635.db2.gz BEDQPXOKMNIWBS-VXGBXAGGSA-N 1 1 323.397 -1.190 20 0 DAADMO CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001221259547 780286706 /nfs/dbraw/zinc/28/67/06/780286706.db2.gz JXFJPSCOXDTGBG-IJLUTSLNSA-N 1 1 323.397 -1.192 20 0 DAADMO NC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221264444 780287823 /nfs/dbraw/zinc/28/78/23/780287823.db2.gz LEBKYNYVXWDRJY-GHMZBOCLSA-N 1 1 307.358 -1.521 20 0 DAADMO N[C@@H](CSCC[NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221277913 780288268 /nfs/dbraw/zinc/28/82/68/780288268.db2.gz BGHUSDQYCQHETJ-LURJTMIESA-N 1 1 302.322 -1.200 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3N2)[C@H]2NCN[C@@H]21 ZINC001221265645 780288491 /nfs/dbraw/zinc/28/84/91/780288491.db2.gz NYTBDRSPTNVYJE-REWJHTLYSA-N 1 1 302.382 -1.068 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3N2)[C@@H]2NCN[C@H]21 ZINC001221265643 780288632 /nfs/dbraw/zinc/28/86/32/780288632.db2.gz NYTBDRSPTNVYJE-FQUUOJAGSA-N 1 1 302.382 -1.068 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316715 780289405 /nfs/dbraw/zinc/28/94/05/780289405.db2.gz SKPLWWNPLRJVKC-YUSALJHKSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316715 780289409 /nfs/dbraw/zinc/28/94/09/780289409.db2.gz SKPLWWNPLRJVKC-YUSALJHKSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316714 780289628 /nfs/dbraw/zinc/28/96/28/780289628.db2.gz SKPLWWNPLRJVKC-MVWJERBFSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001221316714 780289635 /nfs/dbraw/zinc/28/96/35/780289635.db2.gz SKPLWWNPLRJVKC-MVWJERBFSA-N 1 1 308.382 -1.081 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001221334543 780290041 /nfs/dbraw/zinc/29/00/41/780290041.db2.gz JQUBPOSQZFUEGS-GRYCIOLGSA-N 1 1 315.370 -1.118 20 0 DAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCCCC[NH3+] ZINC001221349449 780292076 /nfs/dbraw/zinc/29/20/76/780292076.db2.gz XKMPBYJCAOLEDF-QWRGUYRKSA-N 1 1 313.402 -1.704 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001221434327 780294673 /nfs/dbraw/zinc/29/46/73/780294673.db2.gz OAYPTTBVVZASLP-YVECIDJPSA-N 1 1 311.382 -1.195 20 0 DAADMO CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001221556681 780296236 /nfs/dbraw/zinc/29/62/36/780296236.db2.gz ICCTZBWKTGQKCW-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001221556681 780296248 /nfs/dbraw/zinc/29/62/48/780296248.db2.gz ICCTZBWKTGQKCW-VXGBXAGGSA-N 1 1 321.385 -1.316 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001221521269 780296685 /nfs/dbraw/zinc/29/66/85/780296685.db2.gz IPGSIAVRIBYEPH-NTZNESFSSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221507931 780296853 /nfs/dbraw/zinc/29/68/53/780296853.db2.gz XEUMENNAKIBQKO-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221507931 780296857 /nfs/dbraw/zinc/29/68/57/780296857.db2.gz XEUMENNAKIBQKO-GRYCIOLGSA-N 1 1 308.382 -1.114 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)NC)[C@@H]2C1 ZINC001221525157 780297032 /nfs/dbraw/zinc/29/70/32/780297032.db2.gz UYKKYEXELKLSJW-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)NC)[C@@H]2C1 ZINC001221525157 780297034 /nfs/dbraw/zinc/29/70/34/780297034.db2.gz UYKKYEXELKLSJW-GHMZBOCLSA-N 1 1 311.386 -1.416 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(C)nn3)[C@@H]2C1 ZINC001221521268 780297211 /nfs/dbraw/zinc/29/72/11/780297211.db2.gz IPGSIAVRIBYEPH-NQBHXWOUSA-N 1 1 309.370 -1.031 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001221554079 780297519 /nfs/dbraw/zinc/29/75/19/780297519.db2.gz DAPJPIYDSDXUGD-GRYCIOLGSA-N 1 1 310.358 -1.787 20 0 DAADMO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221518109 780297610 /nfs/dbraw/zinc/29/76/10/780297610.db2.gz TZPSCPPYZNGQDI-IJLUTSLNSA-N 1 1 313.354 -1.364 20 0 DAADMO CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221566101 780297817 /nfs/dbraw/zinc/29/78/17/780297817.db2.gz SWZQXIFCSLPYEG-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@H+](C(C)C)C[C@H]21 ZINC001221715321 780298335 /nfs/dbraw/zinc/29/83/35/780298335.db2.gz MUILKHIRXRICES-GHMZBOCLSA-N 1 1 304.416 -1.019 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221597364 780298352 /nfs/dbraw/zinc/29/83/52/780298352.db2.gz YXQSIKFICAHAAF-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221597364 780298355 /nfs/dbraw/zinc/29/83/55/780298355.db2.gz YXQSIKFICAHAAF-IJLUTSLNSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221597102 780298465 /nfs/dbraw/zinc/29/84/65/780298465.db2.gz KFERKYOWNCNHEM-VXGBXAGGSA-N 1 1 314.386 -1.543 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCNS(C)(=O)=O)[C@@H]2C1 ZINC001221591139 780298647 /nfs/dbraw/zinc/29/86/47/780298647.db2.gz RZNFDFRKPLXNBF-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221715112 780298731 /nfs/dbraw/zinc/29/87/31/780298731.db2.gz BOZGMSBJLGXBMF-NXEZZACHSA-N 1 1 308.379 -1.458 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221715112 780298738 /nfs/dbraw/zinc/29/87/38/780298738.db2.gz BOZGMSBJLGXBMF-NXEZZACHSA-N 1 1 308.379 -1.458 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221596966 780299070 /nfs/dbraw/zinc/29/90/70/780299070.db2.gz CRGXXJMOHXAVKY-GMTAPVOTSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221596966 780299078 /nfs/dbraw/zinc/29/90/78/780299078.db2.gz CRGXXJMOHXAVKY-GMTAPVOTSA-N 1 1 309.370 -1.663 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221597363 780299169 /nfs/dbraw/zinc/29/91/69/780299169.db2.gz YXQSIKFICAHAAF-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221597363 780299177 /nfs/dbraw/zinc/29/91/77/780299177.db2.gz YXQSIKFICAHAAF-GRYCIOLGSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001221596960 780299412 /nfs/dbraw/zinc/29/94/12/780299412.db2.gz CKZLPKXFUJNPEI-IJLUTSLNSA-N 1 1 314.386 -1.545 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)[C@@H]2C1 ZINC001221591064 780299541 /nfs/dbraw/zinc/29/95/41/780299541.db2.gz OMCHMNQXDDHHJS-IJLUTSLNSA-N 1 1 319.427 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001221598062 780299611 /nfs/dbraw/zinc/29/96/11/780299611.db2.gz BIBOTTCGOYXOAO-VXGBXAGGSA-N 1 1 321.385 -1.260 20 0 DAADMO CN(CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)S(C)(=O)=O ZINC001221590950 780299661 /nfs/dbraw/zinc/29/96/61/780299661.db2.gz KVRJSTXFXVDBDM-GHMZBOCLSA-N 1 1 305.400 -1.597 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001221715380 780299709 /nfs/dbraw/zinc/29/97/09/780299709.db2.gz PBMZARNLAYXOID-VXGBXAGGSA-N 1 1 316.427 -1.017 20 0 DAADMO CCC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001221712995 780299769 /nfs/dbraw/zinc/29/97/69/780299769.db2.gz VHIGFBBJTGEMMZ-UTUOFQBUSA-N 1 1 319.427 -1.031 20 0 DAADMO CCC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)S(N)(=O)=O ZINC001221712995 780299775 /nfs/dbraw/zinc/29/97/75/780299775.db2.gz VHIGFBBJTGEMMZ-UTUOFQBUSA-N 1 1 319.427 -1.031 20 0 DAADMO COCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001221730369 780301007 /nfs/dbraw/zinc/30/10/07/780301007.db2.gz DOUAFKCNKLFSLT-ZIAGYGMSSA-N 1 1 324.425 -1.013 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)C(N)=O ZINC001221852019 780302553 /nfs/dbraw/zinc/30/25/53/780302553.db2.gz NXBUTDCZABCNTP-GRYCIOLGSA-N 1 1 314.361 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)C(N)=O ZINC001221852019 780302560 /nfs/dbraw/zinc/30/25/60/780302560.db2.gz NXBUTDCZABCNTP-GRYCIOLGSA-N 1 1 314.361 -1.131 20 0 DAADMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC2(C1)NC(=O)NC2=O ZINC001221814045 780303301 /nfs/dbraw/zinc/30/33/01/780303301.db2.gz HLHOPZIQMDODIA-VHSXEESVSA-N 1 1 323.353 -1.547 20 0 DAADMO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001221833917 780303364 /nfs/dbraw/zinc/30/33/64/780303364.db2.gz BAVYEBQHWGZVSN-IJLUTSLNSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 ZINC001221782705 780303895 /nfs/dbraw/zinc/30/38/95/780303895.db2.gz KBERVAGTZOUYMS-IJLUTSLNSA-N 1 1 319.427 -1.031 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001221910768 780304806 /nfs/dbraw/zinc/30/48/06/780304806.db2.gz USTKDRMKGQHDHF-VXGBXAGGSA-N 1 1 319.427 -1.207 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001222000711 780304827 /nfs/dbraw/zinc/30/48/27/780304827.db2.gz UNLGPVHZYKFMAF-JHJVBQTASA-N 1 1 309.370 -1.182 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013400 780306830 /nfs/dbraw/zinc/30/68/30/780306830.db2.gz CTKNIPHRPPGXBX-GRYCIOLGSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005966 780307010 /nfs/dbraw/zinc/30/70/10/780307010.db2.gz YJTMRLMCOUGGBM-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005966 780307017 /nfs/dbraw/zinc/30/70/17/780307017.db2.gz YJTMRLMCOUGGBM-HBNTYKKESA-N 1 1 311.386 -1.288 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001222013401 780307981 /nfs/dbraw/zinc/30/79/81/780307981.db2.gz CTKNIPHRPPGXBX-IJLUTSLNSA-N 1 1 323.397 -1.334 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005965 780308211 /nfs/dbraw/zinc/30/82/11/780308211.db2.gz YJTMRLMCOUGGBM-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222005965 780308218 /nfs/dbraw/zinc/30/82/18/780308218.db2.gz YJTMRLMCOUGGBM-GMTAPVOTSA-N 1 1 311.386 -1.288 20 0 DAADMO O=C(Cn1cncn1)NCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001222043866 780308314 /nfs/dbraw/zinc/30/83/14/780308314.db2.gz FUHCAAINPHPKSP-VXGBXAGGSA-N 1 1 322.369 -2.081 20 0 DAADMO Cn1nncc1C[NH+]1CCC(CNC(=O)Cn2cnnn2)CC1 ZINC001222358684 780310641 /nfs/dbraw/zinc/31/06/41/780310641.db2.gz SGVFVQZYAHCEBK-UHFFFAOYSA-N 1 1 319.373 -1.170 20 0 DAADMO NC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001276839464 780312355 /nfs/dbraw/zinc/31/23/55/780312355.db2.gz JECUCGOSGBSPFR-AXFHLTTASA-N 1 1 308.382 -1.046 20 0 DAADMO CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001222693798 780312475 /nfs/dbraw/zinc/31/24/75/780312475.db2.gz AMJSLQGMQLLMJP-NEPJUHHUSA-N 1 1 321.385 -1.268 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001276854534 780312621 /nfs/dbraw/zinc/31/26/21/780312621.db2.gz YWQFQPUUKDTAKH-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO O=C(Cn1ncnn1)NC[C@H]1CC[N@H+]1CCN1C(=O)CCC1=O ZINC001276854534 780312627 /nfs/dbraw/zinc/31/26/27/780312627.db2.gz YWQFQPUUKDTAKH-SNVBAGLBSA-N 1 1 321.341 -1.987 20 0 DAADMO CNC(=O)CC(=O)NCC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001222955512 780312739 /nfs/dbraw/zinc/31/27/39/780312739.db2.gz BBEIZWLTBGGMRR-UHFFFAOYSA-N 1 1 324.385 -1.427 20 0 DAADMO CN(CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1)S(C)(=O)=O ZINC001222809922 780313164 /nfs/dbraw/zinc/31/31/64/780313164.db2.gz HGVTYMRAZIWPDO-NEPJUHHUSA-N 1 1 319.427 -1.207 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001276874162 780314653 /nfs/dbraw/zinc/31/46/53/780314653.db2.gz BDZOESBKKYJPPJ-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO CCN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001276874162 780314659 /nfs/dbraw/zinc/31/46/59/780314659.db2.gz BDZOESBKKYJPPJ-KBPBESRZSA-N 1 1 315.414 -1.094 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223401548 780315914 /nfs/dbraw/zinc/31/59/14/780315914.db2.gz MWPOCEZNRQXAQQ-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223401548 780315918 /nfs/dbraw/zinc/31/59/18/780315918.db2.gz MWPOCEZNRQXAQQ-NEPJUHHUSA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001223572690 780317747 /nfs/dbraw/zinc/31/77/47/780317747.db2.gz PDLUEHYWEDSZOR-TUAOUCFPSA-N 1 1 319.427 -1.161 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)c2cnn[nH]2)CC1 ZINC001223720265 780317834 /nfs/dbraw/zinc/31/78/34/780317834.db2.gz SMKZWEMPFCGEJI-QMMMGPOBSA-N 1 1 323.357 -1.170 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)c2cnn[nH]2)CC1 ZINC001223720264 780317891 /nfs/dbraw/zinc/31/78/91/780317891.db2.gz SMKZWEMPFCGEJI-MRVPVSSYSA-N 1 1 323.357 -1.170 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCOCCO)NC1=O ZINC001276901982 780318500 /nfs/dbraw/zinc/31/85/00/780318500.db2.gz XENPHKXKNQWDSO-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCOCCO)NC1=O ZINC001276901982 780318509 /nfs/dbraw/zinc/31/85/09/780318509.db2.gz XENPHKXKNQWDSO-MNOVXSKESA-N 1 1 300.359 -1.791 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001224162808 780319593 /nfs/dbraw/zinc/31/95/93/780319593.db2.gz TXYSZTOQTFVZHA-MNOVXSKESA-N 1 1 305.400 -1.549 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CCOCCO)n1 ZINC001276980666 780322658 /nfs/dbraw/zinc/32/26/58/780322658.db2.gz VWTREBLYAAJPKH-NSHDSACASA-N 1 1 322.365 -1.007 20 0 DAADMO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2CCOCCO)n1 ZINC001276980666 780322661 /nfs/dbraw/zinc/32/26/61/780322661.db2.gz VWTREBLYAAJPKH-NSHDSACASA-N 1 1 322.365 -1.007 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225979889 780328650 /nfs/dbraw/zinc/32/86/50/780328650.db2.gz JHTWFYFJPGLKPT-QMMMGPOBSA-N 1 1 324.345 -2.163 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001225964323 780329345 /nfs/dbraw/zinc/32/93/45/780329345.db2.gz OVFRHAOJNXUANB-UHFFFAOYSA-N 1 1 324.345 -2.291 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)CCn2cncn2)CC1 ZINC001226085413 780330531 /nfs/dbraw/zinc/33/05/31/780330531.db2.gz LFKURMJIVFLTBH-UHFFFAOYSA-N 1 1 323.357 -1.556 20 0 DAADMO CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)c2cnn[nH]2)CC1 ZINC001277102876 780330594 /nfs/dbraw/zinc/33/05/94/780330594.db2.gz YYLYAEFMNQWSOZ-UHFFFAOYSA-N 1 1 316.387 -1.404 20 0 DAADMO CC(=O)N(C)CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001226161471 780330952 /nfs/dbraw/zinc/33/09/52/780330952.db2.gz ITSMZQSIBLIAFP-UHFFFAOYSA-N 1 1 313.358 -1.760 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnsn2)CC1 ZINC001226220097 780330991 /nfs/dbraw/zinc/33/09/91/780330991.db2.gz LPLHEMLHEMDZHF-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO O=C(CNC(=O)C1CC1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001226252283 780332104 /nfs/dbraw/zinc/33/21/04/780332104.db2.gz DZWGUDNBHHFLCC-GFCCVEGCSA-N 1 1 308.382 -1.018 20 0 DAADMO CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001226628910 780333762 /nfs/dbraw/zinc/33/37/62/780333762.db2.gz WLYAQANQRDXXRN-NXEZZACHSA-N 1 1 324.389 -1.344 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CC(=O)NC(N)=O)CC1 ZINC001226554370 780334220 /nfs/dbraw/zinc/33/42/20/780334220.db2.gz LDMXECGDIUFIIF-LLVKDONJSA-N 1 1 311.386 -1.144 20 0 DAADMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226699238 780335678 /nfs/dbraw/zinc/33/56/78/780335678.db2.gz MVYOZFAIIIUQAZ-QMMMGPOBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC001226815724 780336157 /nfs/dbraw/zinc/33/61/57/780336157.db2.gz IBHWEENCIQBBAJ-JTQLQIEISA-N 1 1 322.431 -1.320 20 0 DAADMO COCCCNC(=O)C[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001226707410 780336238 /nfs/dbraw/zinc/33/62/38/780336238.db2.gz DZCRMIHQHVDKJX-UHFFFAOYSA-N 1 1 314.386 -1.405 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001227131577 780338603 /nfs/dbraw/zinc/33/86/03/780338603.db2.gz LNLROXBPZNXMFO-MRVPVSSYSA-N 1 1 313.314 -2.130 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cc2cncnc2)CC1 ZINC001227059931 780338773 /nfs/dbraw/zinc/33/87/73/780338773.db2.gz AXXMJSTXDGIQJX-UHFFFAOYSA-N 1 1 320.353 -1.205 20 0 DAADMO Cn1nccc1CC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227060766 780339244 /nfs/dbraw/zinc/33/92/44/780339244.db2.gz ODCYQDQNGNZEPF-UHFFFAOYSA-N 1 1 322.369 -1.262 20 0 DAADMO CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC001227123769 780339521 /nfs/dbraw/zinc/33/95/21/780339521.db2.gz HPEHXZDEEXSVLF-UHFFFAOYSA-N 1 1 323.357 -1.535 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227408643 780340846 /nfs/dbraw/zinc/34/08/46/780340846.db2.gz QXEWHQVRJKXEJR-UHFFFAOYSA-N 1 1 309.374 -1.268 20 0 DAADMO C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001227362511 780341033 /nfs/dbraw/zinc/34/10/33/780341033.db2.gz VPOHIDIPHWLLIS-MWLCHTKSSA-N 1 1 311.386 -1.098 20 0 DAADMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001227408711 780341086 /nfs/dbraw/zinc/34/10/86/780341086.db2.gz SWSYQXOLRSILET-UHFFFAOYSA-N 1 1 309.374 -1.222 20 0 DAADMO C[C@@H](CC(=O)NC1CC[NH+]([C@@H]2CCNC2=O)CC1)NC(N)=O ZINC001227362509 780341301 /nfs/dbraw/zinc/34/13/01/780341301.db2.gz VPOHIDIPHWLLIS-GXSJLCMTSA-N 1 1 311.386 -1.098 20 0 DAADMO C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCNC2=O)CC1)NC(N)=O ZINC001227362510 780341615 /nfs/dbraw/zinc/34/16/15/780341615.db2.gz VPOHIDIPHWLLIS-KOLCDFICSA-N 1 1 311.386 -1.098 20 0 DAADMO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)c1ncn[nH]1 ZINC001277201831 780341760 /nfs/dbraw/zinc/34/17/60/780341760.db2.gz AZDRKKFVWOMPDP-UHFFFAOYSA-N 1 1 307.314 -1.792 20 0 DAADMO O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)c1nc[nH]n1 ZINC001277201831 780341763 /nfs/dbraw/zinc/34/17/63/780341763.db2.gz AZDRKKFVWOMPDP-UHFFFAOYSA-N 1 1 307.314 -1.792 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001227546696 780342598 /nfs/dbraw/zinc/34/25/98/780342598.db2.gz KGMJAYNGFHMGKO-UHFFFAOYSA-N 1 1 309.330 -1.946 20 0 DAADMO CS(=O)(=O)NCCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227645493 780342657 /nfs/dbraw/zinc/34/26/57/780342657.db2.gz PKBYESYRKPIWAS-UHFFFAOYSA-N 1 1 306.388 -2.008 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001227637843 780342960 /nfs/dbraw/zinc/34/29/60/780342960.db2.gz UWPKUCBUEUYYAY-SECBINFHSA-N 1 1 320.415 -1.620 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001227637416 780343258 /nfs/dbraw/zinc/34/32/58/780343258.db2.gz JZVHHNIMGRLKLC-UHFFFAOYSA-N 1 1 320.415 -1.748 20 0 DAADMO COCC(=O)N(C)CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001227653616 780343303 /nfs/dbraw/zinc/34/33/03/780343303.db2.gz MSYYQPXXVJQSAA-UHFFFAOYSA-N 1 1 300.359 -1.843 20 0 DAADMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC001227798219 780344058 /nfs/dbraw/zinc/34/40/58/780344058.db2.gz UDSITNVDDTWGDN-ZDUSSCGKSA-N 1 1 322.413 -1.121 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001227900657 780344206 /nfs/dbraw/zinc/34/42/06/780344206.db2.gz XCNOKXCSAQUTDL-UHFFFAOYSA-N 1 1 324.341 -1.187 20 0 DAADMO Cn1cncc1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228169016 780345471 /nfs/dbraw/zinc/34/54/71/780345471.db2.gz RTWMUJNUBZXPHD-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCN2C(=O)CCC2=O)CC1 ZINC001228204057 780346479 /nfs/dbraw/zinc/34/64/79/780346479.db2.gz LZJDIOIGZVJVNH-SNVBAGLBSA-N 1 1 324.381 -1.020 20 0 DAADMO Cn1cnn(CCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1=O ZINC001228448684 780348195 /nfs/dbraw/zinc/34/81/95/780348195.db2.gz PIBKRDLFARWGEA-UHFFFAOYSA-N 1 1 310.358 -1.962 20 0 DAADMO CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]12 ZINC001277281845 780348319 /nfs/dbraw/zinc/34/83/19/780348319.db2.gz HNGPNZAMFPAJRY-GRYCIOLGSA-N 1 1 324.381 -1.086 20 0 DAADMO CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001228596338 780349536 /nfs/dbraw/zinc/34/95/36/780349536.db2.gz HNTVRKSQLKRMNI-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001228482502 780349940 /nfs/dbraw/zinc/34/99/40/780349940.db2.gz DMDCTZHJZZUHPU-UHFFFAOYSA-N 1 1 312.355 -1.073 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228669774 780350683 /nfs/dbraw/zinc/35/06/83/780350683.db2.gz JGHSEDUYPYJSQW-UHFFFAOYSA-N 1 1 309.374 -1.117 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001228827507 780350964 /nfs/dbraw/zinc/35/09/64/780350964.db2.gz VRMPKFJDOZLOEA-CYBMUJFWSA-N 1 1 316.333 -1.110 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001228711955 780351213 /nfs/dbraw/zinc/35/12/13/780351213.db2.gz DARNGHOLRSWCSD-IAZYJMLFSA-N 1 1 310.354 -1.346 20 0 DAADMO CCS(=O)(=O)CCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001228912122 780352474 /nfs/dbraw/zinc/35/24/74/780352474.db2.gz LUWPQEVUTCQAQA-UHFFFAOYSA-N 1 1 305.400 -1.123 20 0 DAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001228895231 780352712 /nfs/dbraw/zinc/35/27/12/780352712.db2.gz IJBCYKOIYKHYAU-LLVKDONJSA-N 1 1 311.386 -1.225 20 0 DAADMO NC(=O)C(=O)NC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001228904923 780353218 /nfs/dbraw/zinc/35/32/18/780353218.db2.gz ZEMOWUVYXFKQQC-NSHDSACASA-N 1 1 312.370 -1.653 20 0 DAADMO CCN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001228896401 780353406 /nfs/dbraw/zinc/35/34/06/780353406.db2.gz YMEUEFADYAJRSH-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1 ZINC001229201476 780354219 /nfs/dbraw/zinc/35/42/19/780354219.db2.gz FOVYDEFKNSAWMF-HTQZYQBOSA-N 1 1 309.330 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 ZINC001229201476 780354230 /nfs/dbraw/zinc/35/42/30/780354230.db2.gz FOVYDEFKNSAWMF-HTQZYQBOSA-N 1 1 309.330 -1.370 20 0 DAADMO NC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccnnc2)CC1 ZINC001229330829 780356432 /nfs/dbraw/zinc/35/64/32/780356432.db2.gz WPUDAORZALOOIX-UHFFFAOYSA-N 1 1 306.326 -1.134 20 0 DAADMO Cn1nncc1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001229412927 780357224 /nfs/dbraw/zinc/35/72/24/780357224.db2.gz HXRCVPNMMFQHRM-NSHDSACASA-N 1 1 309.374 -1.046 20 0 DAADMO O=C(CCn1cnnn1)NC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001229723677 780357677 /nfs/dbraw/zinc/35/76/77/780357677.db2.gz VPMTUGICWANELJ-UHFFFAOYSA-N 1 1 321.385 -1.124 20 0 DAADMO CS(=O)(=O)NCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001229671069 780359095 /nfs/dbraw/zinc/35/90/95/780359095.db2.gz VRSJGDDASPVWHI-UHFFFAOYSA-N 1 1 317.371 -1.187 20 0 DAADMO NC(=O)C[NH+]1CCC(NC(=O)CCn2cnccc2=O)CC1 ZINC001229825360 780359588 /nfs/dbraw/zinc/35/95/88/780359588.db2.gz OXACPFDKXBGFRM-UHFFFAOYSA-N 1 1 307.354 -1.301 20 0 DAADMO CCOCCNC(=O)C[N@@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC001277422677 780359699 /nfs/dbraw/zinc/35/96/99/780359699.db2.gz HONDVBIEVMAFAT-UHFFFAOYSA-N 1 1 314.386 -1.453 20 0 DAADMO Cn1ccc(C(=O)NC2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001230262505 780362534 /nfs/dbraw/zinc/36/25/34/780362534.db2.gz CILCDHGDAAGZME-UHFFFAOYSA-N 1 1 308.342 -1.191 20 0 DAADMO NS(=O)(=O)CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC001230465114 780366165 /nfs/dbraw/zinc/36/61/65/780366165.db2.gz LPFOGTXIOVYKRL-UHFFFAOYSA-N 1 1 308.404 -1.314 20 0 DAADMO CC(=O)NCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001230645922 780369180 /nfs/dbraw/zinc/36/91/80/780369180.db2.gz BRSHWSWBHWZEPP-ZIAGYGMSSA-N 1 1 323.397 -1.087 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@@H]1CCc2ncnn21)C(=O)CNC(N)=O ZINC001230735287 780370835 /nfs/dbraw/zinc/37/08/35/780370835.db2.gz OUHZWOLKNHKHQL-MNOVXSKESA-N 1 1 321.385 -1.034 20 0 DAADMO CN(C[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C(=O)CNC(N)=O ZINC001230735259 780371297 /nfs/dbraw/zinc/37/12/97/780371297.db2.gz NZZLUMYCFSPKAX-VXGBXAGGSA-N 1 1 324.385 -1.555 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)CNC(N)=O ZINC001230735291 780371426 /nfs/dbraw/zinc/37/14/26/780371426.db2.gz OXSZTGNKPXEUMM-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)CNC(N)=O ZINC001230735291 780371435 /nfs/dbraw/zinc/37/14/35/780371435.db2.gz OXSZTGNKPXEUMM-NSHDSACASA-N 1 1 311.386 -1.286 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1C[C@H]1CCc2ncnn21)C(=O)CNC(N)=O ZINC001230735289 780371741 /nfs/dbraw/zinc/37/17/41/780371741.db2.gz OUHZWOLKNHKHQL-WDEREUQCSA-N 1 1 321.385 -1.034 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750262 780373426 /nfs/dbraw/zinc/37/34/26/780373426.db2.gz ULAWDDDSMKZLTP-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001230750262 780373433 /nfs/dbraw/zinc/37/34/33/780373433.db2.gz ULAWDDDSMKZLTP-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749105 780373499 /nfs/dbraw/zinc/37/34/99/780373499.db2.gz KSUHNYVERYRORE-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001230749105 780373508 /nfs/dbraw/zinc/37/35/08/780373508.db2.gz KSUHNYVERYRORE-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@H](C(N)=O)[N@@H+](C)CCOCCNC(=O)[C@@H]1COCCO1 ZINC001277475684 780377113 /nfs/dbraw/zinc/37/71/13/780377113.db2.gz AKKXMKWZOKWTRF-MNOVXSKESA-N 1 1 303.359 -1.660 20 0 DAADMO COC[C@H](CO)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001230966794 780377464 /nfs/dbraw/zinc/37/74/64/780377464.db2.gz KXPAGPQVELGVNQ-QWRGUYRKSA-N 1 1 302.375 -1.367 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CCNS(C)(=O)=O ZINC001231278870 780378477 /nfs/dbraw/zinc/37/84/77/780378477.db2.gz QTXWVMKDHLDKFE-UHFFFAOYSA-N 1 1 308.404 -1.890 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@@H+](C)CC(=O)Nc1cnccn1 ZINC001231258923 780378507 /nfs/dbraw/zinc/37/85/07/780378507.db2.gz OUYSCXYTTLPMND-UHFFFAOYSA-N 1 1 322.369 -1.011 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CC(=O)Nc1cnccn1 ZINC001231258923 780378511 /nfs/dbraw/zinc/37/85/11/780378511.db2.gz OUYSCXYTTLPMND-UHFFFAOYSA-N 1 1 322.369 -1.011 20 0 DAADMO CC(C)[C@@H](O)C(=O)NCCOCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001277487518 780378611 /nfs/dbraw/zinc/37/86/11/780378611.db2.gz OIERZOOBMAZTGN-VXGBXAGGSA-N 1 1 301.387 -1.044 20 0 DAADMO CN1CC[C@H](C(=O)NCCOCC[N@@H+](C)CCO)CC1=O ZINC001277501095 780378745 /nfs/dbraw/zinc/37/87/45/780378745.db2.gz HPFNVSLMOHQNSD-LBPRGKRZSA-N 1 1 301.387 -1.088 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC001231278596 780378786 /nfs/dbraw/zinc/37/87/86/780378786.db2.gz LVBXEXGZCKBGCF-LBPRGKRZSA-N 1 1 319.427 -1.005 20 0 DAADMO CN(C[C@H]1CCN1CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231218590 780378913 /nfs/dbraw/zinc/37/89/13/780378913.db2.gz XFBKRXYAPCXYTQ-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO CC(=O)NCC(=O)NCCC[N@H+](C)CCN1C(=O)CNC1=O ZINC001231279084 780379118 /nfs/dbraw/zinc/37/91/18/780379118.db2.gz WQIXOKBMZILPOW-UHFFFAOYSA-N 1 1 313.358 -1.888 20 0 DAADMO CCS(=O)(=O)NCC[N@@H+](C)CCCNC(=O)CNC(C)=O ZINC001231278929 780379187 /nfs/dbraw/zinc/37/91/87/780379187.db2.gz SCWQBUJIENXJIY-UHFFFAOYSA-N 1 1 322.431 -1.500 20 0 DAADMO CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369759 780381783 /nfs/dbraw/zinc/38/17/83/780381783.db2.gz WAASFNINLMJTJS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231369759 780381795 /nfs/dbraw/zinc/38/17/95/780381795.db2.gz WAASFNINLMJTJS-OLZOCXBDSA-N 1 1 312.414 -1.014 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CN(C)CCO1 ZINC001231368819 780381874 /nfs/dbraw/zinc/38/18/74/780381874.db2.gz OMPUDKGSNXUSMN-UONOGXRCSA-N 1 1 315.414 -1.141 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231402316 780383047 /nfs/dbraw/zinc/38/30/47/780383047.db2.gz UGJVTMFNJOFANS-NEPJUHHUSA-N 1 1 317.386 -1.582 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277514083 780383217 /nfs/dbraw/zinc/38/32/17/780383217.db2.gz IJODHYISMXUNOG-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277514083 780383228 /nfs/dbraw/zinc/38/32/28/780383228.db2.gz IJODHYISMXUNOG-JTQLQIEISA-N 1 1 315.374 -2.179 20 0 DAADMO C[N@H+](CCO)CCOCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001277542182 780383327 /nfs/dbraw/zinc/38/33/27/780383327.db2.gz PAWNOYDOVDATQV-LLVKDONJSA-N 1 1 308.400 -1.380 20 0 DAADMO C[N@@H+](CCO)CCOCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001277542182 780383333 /nfs/dbraw/zinc/38/33/33/780383333.db2.gz PAWNOYDOVDATQV-LLVKDONJSA-N 1 1 308.400 -1.380 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H](C1)O2 ZINC001277525784 780383535 /nfs/dbraw/zinc/38/35/35/780383535.db2.gz WOLOAWMICOEJBI-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO CN(C)C(=O)CN1C[C@@H]2C[N@H+](C[C@H]3COCCO3)C[C@H](C1)O2 ZINC001277525784 780383544 /nfs/dbraw/zinc/38/35/44/780383544.db2.gz WOLOAWMICOEJBI-MJBXVCDLSA-N 1 1 313.398 -1.125 20 0 DAADMO C[N@@H+](CCOCCNC(=O)Cc1nc[nH]n1)[C@@H]1CCCNC1=O ZINC001277535459 780383636 /nfs/dbraw/zinc/38/36/36/780383636.db2.gz KRJAXZGMFLIWSY-LLVKDONJSA-N 1 1 324.385 -1.310 20 0 DAADMO CC(C)[N@@H+](C)CCOCCNC(=O)CN1CCNC(=O)C1 ZINC001277514898 780383723 /nfs/dbraw/zinc/38/37/23/780383723.db2.gz PJUANFKWQIPZDN-UHFFFAOYSA-N 1 1 300.403 -1.109 20 0 DAADMO C[N@@H+](CCOCCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCOC1 ZINC001277521041 780383954 /nfs/dbraw/zinc/38/39/54/780383954.db2.gz QWLNVWORYQWGGY-NEPJUHHUSA-N 1 1 314.386 -1.231 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(N)=O ZINC001231402317 780384049 /nfs/dbraw/zinc/38/40/49/780384049.db2.gz UGJVTMFNJOFANS-NWDGAFQWSA-N 1 1 317.386 -1.582 20 0 DAADMO CCOCC(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001231406733 780384386 /nfs/dbraw/zinc/38/43/86/780384386.db2.gz VYADUENDROCLBQ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO CCOCC(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001231406733 780384398 /nfs/dbraw/zinc/38/43/98/780384398.db2.gz VYADUENDROCLBQ-UHFFFAOYSA-N 1 1 314.386 -1.581 20 0 DAADMO Cn1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC001231772037 780384952 /nfs/dbraw/zinc/38/49/52/780384952.db2.gz JISHMQMLJOPUGQ-SNVBAGLBSA-N 1 1 301.368 -1.297 20 0 DAADMO Cn1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC001231772037 780384962 /nfs/dbraw/zinc/38/49/62/780384962.db2.gz JISHMQMLJOPUGQ-SNVBAGLBSA-N 1 1 301.368 -1.297 20 0 DAADMO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CC(N)=O)c1nnnn1C ZINC001277630191 780387573 /nfs/dbraw/zinc/38/75/73/780387573.db2.gz VNYOXOFZPKCGKR-WPRPVWTQSA-N 1 1 309.374 -1.027 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001233580544 780389973 /nfs/dbraw/zinc/38/99/73/780389973.db2.gz PNKISPLKWIQUJP-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001233613384 780390289 /nfs/dbraw/zinc/39/02/89/780390289.db2.gz OJHHGFALRAJPQW-MRVPVSSYSA-N 1 1 324.341 -1.183 20 0 DAADMO C[N@@H+](CCCNC(=O)c1ccc(=O)[nH]n1)CC(=O)NC(N)=O ZINC001233590588 780390338 /nfs/dbraw/zinc/39/03/38/780390338.db2.gz ZPHKYBHKWOCFAI-UHFFFAOYSA-N 1 1 310.314 -1.571 20 0 DAADMO Cn1cnnc1C[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001281603361 780390544 /nfs/dbraw/zinc/39/05/44/780390544.db2.gz LAKQASFGXKUKBJ-UHFFFAOYSA-N 1 1 310.358 -1.866 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C)NC(C)=O ZINC001233581738 780390829 /nfs/dbraw/zinc/39/08/29/780390829.db2.gz ZHWOJDNWXAPWAO-SECBINFHSA-N 1 1 315.374 -1.595 20 0 DAADMO CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001233580076 780391000 /nfs/dbraw/zinc/39/10/00/780391000.db2.gz MEOUXZFGYYZRMW-KOLCDFICSA-N 1 1 312.370 -1.246 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)C1=COCCO1 ZINC001233563153 780391722 /nfs/dbraw/zinc/39/17/22/780391722.db2.gz ZQADDFWBHDGTRK-UHFFFAOYSA-N 1 1 314.342 -1.232 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001233598001 780391769 /nfs/dbraw/zinc/39/17/69/780391769.db2.gz DPSHAGUZWHBMER-JTQLQIEISA-N 1 1 323.353 -1.045 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CCNC(=O)C1CC1 ZINC001233751479 780392422 /nfs/dbraw/zinc/39/24/22/780392422.db2.gz SZCXZCJXBTWSKQ-UHFFFAOYSA-N 1 1 309.374 -1.363 20 0 DAADMO CC(C)N(C)C(=O)C[N@@H+](C)CCCNC(=O)CNC(N)=O ZINC001233705458 780393074 /nfs/dbraw/zinc/39/30/74/780393074.db2.gz IKUXVMAXXGBTEN-UHFFFAOYSA-N 1 1 301.391 -1.040 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)C[C@@H]1CCc2ncnn21 ZINC001233714313 780393774 /nfs/dbraw/zinc/39/37/74/780393774.db2.gz YXKCLNFETUFDQK-JTQLQIEISA-N 1 1 309.374 -1.128 20 0 DAADMO C[N@H+](CCCNC(=O)CNC(N)=O)CCCS(C)(=O)=O ZINC001233722846 780393875 /nfs/dbraw/zinc/39/38/75/780393875.db2.gz TTYOJCOZVDQQIN-UHFFFAOYSA-N 1 1 308.404 -1.473 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(N)=O)CCCS(C)(=O)=O ZINC001233722846 780393880 /nfs/dbraw/zinc/39/38/80/780393880.db2.gz TTYOJCOZVDQQIN-UHFFFAOYSA-N 1 1 308.404 -1.473 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)C[C@@H]1CCc2ncnn21 ZINC001233750078 780394049 /nfs/dbraw/zinc/39/40/49/780394049.db2.gz GWQYHSXKCSFYDQ-NSHDSACASA-N 1 1 319.373 -1.110 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)c1cnn(C)c1 ZINC001233794540 780394494 /nfs/dbraw/zinc/39/44/94/780394494.db2.gz VVYBOYWKZYOGKJ-UHFFFAOYSA-N 1 1 310.358 -1.073 20 0 DAADMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCCNC(=O)Cn1cnnn1 ZINC001233783956 780394987 /nfs/dbraw/zinc/39/49/87/780394987.db2.gz KGWACIRMWUIGNI-JTQLQIEISA-N 1 1 309.374 -1.222 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnnn1)CC(=O)N1CCCC1 ZINC001233774032 780395186 /nfs/dbraw/zinc/39/51/86/780395186.db2.gz BROAGJSQTRUYDK-UHFFFAOYSA-N 1 1 309.374 -1.266 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)CN1CN=NC1=O ZINC001233846233 780398193 /nfs/dbraw/zinc/39/81/93/780398193.db2.gz FOEIWHXCJRDRLG-NSHDSACASA-N 1 1 313.358 -1.475 20 0 DAADMO CNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001233857697 780398923 /nfs/dbraw/zinc/39/89/23/780398923.db2.gz TZKRJYNRZPXAHT-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001233890067 780400146 /nfs/dbraw/zinc/40/01/46/780400146.db2.gz GMOXSJCOIDSQBN-QWRGUYRKSA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N(C)C[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001233890067 780400150 /nfs/dbraw/zinc/40/01/50/780400150.db2.gz GMOXSJCOIDSQBN-QWRGUYRKSA-N 1 1 309.374 -1.132 20 0 DAADMO COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NC(N)=O ZINC001233889971 780400173 /nfs/dbraw/zinc/40/01/73/780400173.db2.gz GEJJSDZJSWGBPW-AXFHLTTASA-N 1 1 302.375 -1.417 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cccn1)CCN1C(=O)CNC1=O ZINC001233932849 780401929 /nfs/dbraw/zinc/40/19/29/780401929.db2.gz NNOSEWBCZYDGGL-UHFFFAOYSA-N 1 1 322.369 -1.127 20 0 DAADMO CC(=O)N(C)CC(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001234180440 780404185 /nfs/dbraw/zinc/40/41/85/780404185.db2.gz FSJQOIXSJRJYIV-VIFPVBQESA-N 1 1 315.374 -1.514 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1CCNC(=O)C1CC1)C(=O)Cn1ncnn1 ZINC001234367247 780405915 /nfs/dbraw/zinc/40/59/15/780405915.db2.gz RRSNTPIYNUDVOT-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCNC(=O)C1CC1)C(=O)Cn1ncnn1 ZINC001234367247 780405919 /nfs/dbraw/zinc/40/59/19/780405919.db2.gz RRSNTPIYNUDVOT-GFCCVEGCSA-N 1 1 321.385 -1.268 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378195 780406994 /nfs/dbraw/zinc/40/69/94/780406994.db2.gz NNQWFURYDSMGOS-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378195 780406999 /nfs/dbraw/zinc/40/69/99/780406999.db2.gz NNQWFURYDSMGOS-NWDGAFQWSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1CCn1cncn1)C(=O)Cn1ncnn1 ZINC001234367448 780407248 /nfs/dbraw/zinc/40/72/48/780407248.db2.gz XCQCWIASKKLYCS-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCn1cncn1)C(=O)Cn1ncnn1 ZINC001234367448 780407252 /nfs/dbraw/zinc/40/72/52/780407252.db2.gz XCQCWIASKKLYCS-NSHDSACASA-N 1 1 305.346 -1.503 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377702 780407493 /nfs/dbraw/zinc/40/74/93/780407493.db2.gz HKICCMCLSPCGOM-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001234377702 780407497 /nfs/dbraw/zinc/40/74/97/780407497.db2.gz HKICCMCLSPCGOM-GHMZBOCLSA-N 1 1 307.358 -1.516 20 0 DAADMO CN(C[C@@H]1CC[N@@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378196 780407529 /nfs/dbraw/zinc/40/75/29/780407529.db2.gz NNQWFURYDSMGOS-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378196 780407534 /nfs/dbraw/zinc/40/75/34/780407534.db2.gz NNQWFURYDSMGOS-RYUDHWBXSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378197 780407587 /nfs/dbraw/zinc/40/75/87/780407587.db2.gz NNQWFURYDSMGOS-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO CN(C[C@H]1CC[N@H+]1[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001234378197 780407592 /nfs/dbraw/zinc/40/75/92/780407592.db2.gz NNQWFURYDSMGOS-VXGBXAGGSA-N 1 1 321.385 -1.173 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001234413260 780408949 /nfs/dbraw/zinc/40/89/49/780408949.db2.gz IBBZSKGGNFGUHX-UWVGGRQHSA-N 1 1 310.358 -1.710 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001234496222 780409189 /nfs/dbraw/zinc/40/91/89/780409189.db2.gz DWAUZNUEISUZHH-SECBINFHSA-N 1 1 314.342 -1.414 20 0 DAADMO C[N@@H+](CCCNC(=O)CNC(=O)C1CC1)CC(=O)NC(N)=O ZINC001234390225 780409219 /nfs/dbraw/zinc/40/92/19/780409219.db2.gz BYDUJAJRBLPTID-UHFFFAOYSA-N 1 1 313.358 -1.854 20 0 DAADMO COC(=O)NCC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O ZINC001234497946 780409292 /nfs/dbraw/zinc/40/92/92/780409292.db2.gz XLXGKOXPXQPMEE-UHFFFAOYSA-N 1 1 303.319 -2.025 20 0 DAADMO CO[C@@H](C)C(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001234593038 780410737 /nfs/dbraw/zinc/41/07/37/780410737.db2.gz DEZIQHUVSYUUJW-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO CO[C@@H](C)C(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001234593038 780410740 /nfs/dbraw/zinc/41/07/40/780410740.db2.gz DEZIQHUVSYUUJW-NSHDSACASA-N 1 1 314.386 -1.582 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC001234923718 780411586 /nfs/dbraw/zinc/41/15/86/780411586.db2.gz NMIDQZDFNXZBSM-GHMZBOCLSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN(C)S(C)(=O)=O ZINC001234975879 780411858 /nfs/dbraw/zinc/41/18/58/780411858.db2.gz RKQLUWHUUWRKEY-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001234975086 780412149 /nfs/dbraw/zinc/41/21/49/780412149.db2.gz QAGMNILCQUEFNU-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCNS(C)(=O)=O ZINC001234923720 780412275 /nfs/dbraw/zinc/41/22/75/780412275.db2.gz NMIDQZDFNXZBSM-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CCS(=O)(=O)NCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001234919846 780412489 /nfs/dbraw/zinc/41/24/89/780412489.db2.gz AHUILLPMFGIIHD-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235007784 780413354 /nfs/dbraw/zinc/41/33/54/780413354.db2.gz RHWQQSUDIRLYQS-VXGBXAGGSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001235007763 780413716 /nfs/dbraw/zinc/41/37/16/780413716.db2.gz RHWQQSUDIRLYQS-NEPJUHHUSA-N 1 1 324.381 -1.540 20 0 DAADMO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CN1CCCS1(=O)=O ZINC001235051128 780414417 /nfs/dbraw/zinc/41/44/17/780414417.db2.gz KILPFSQKYDDOFU-NWDGAFQWSA-N 1 1 319.427 -1.065 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CN1CCCS1(=O)=O ZINC001235092339 780414634 /nfs/dbraw/zinc/41/46/34/780414634.db2.gz UKGRKLYGECYAAN-LBPRGKRZSA-N 1 1 319.427 -1.063 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1CCOC1 ZINC001235215410 780414742 /nfs/dbraw/zinc/41/47/42/780414742.db2.gz OXUJZEWZCATKMT-SNVBAGLBSA-N 1 1 300.359 -1.083 20 0 DAADMO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+]2C1CC1 ZINC001277918954 780415224 /nfs/dbraw/zinc/41/52/24/780415224.db2.gz BWFFYOZTEGOOBK-GUDJTOLZSA-N 1 1 314.338 -2.766 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)Cc1cnn(C)c1 ZINC001235435888 780416705 /nfs/dbraw/zinc/41/67/05/780416705.db2.gz BELAKUXQSGDWSD-UHFFFAOYSA-N 1 1 324.385 -1.144 20 0 DAADMO CN(C[C@@H]1CCN1CC(N)=O)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304681 780416771 /nfs/dbraw/zinc/41/67/71/780416771.db2.gz UCZNFVJJSCJGBW-QWHCGFSZSA-N 1 1 322.413 -1.169 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCC(=O)NC1=O ZINC001235745199 780417952 /nfs/dbraw/zinc/41/79/52/780417952.db2.gz LPJFCUKZVNBELY-NXEZZACHSA-N 1 1 310.354 -1.492 20 0 DAADMO Cn1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC1CC1 ZINC001277964866 780418678 /nfs/dbraw/zinc/41/86/78/780418678.db2.gz HTNBXMPUAAKVPP-NSHDSACASA-N 1 1 321.385 -1.183 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001277978918 780419714 /nfs/dbraw/zinc/41/97/14/780419714.db2.gz SMHJJKRGKSTBJY-QWRGUYRKSA-N 1 1 305.338 -1.596 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001277978918 780419717 /nfs/dbraw/zinc/41/97/17/780419717.db2.gz SMHJJKRGKSTBJY-QWRGUYRKSA-N 1 1 305.338 -1.596 20 0 DAADMO NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C3=CNN4C=CNC=C34)C[C@H]21 ZINC001277977615 780420058 /nfs/dbraw/zinc/42/00/58/780420058.db2.gz BYNZYHYVDBFFCK-GXFFZTMASA-N 1 1 316.365 -1.376 20 0 DAADMO NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3=CNN4C=CNC=C34)C[C@H]21 ZINC001277977615 780420063 /nfs/dbraw/zinc/42/00/63/780420063.db2.gz BYNZYHYVDBFFCK-GXFFZTMASA-N 1 1 316.365 -1.376 20 0 DAADMO Cn1nc(-c2cnc(N3CC[NH+](C)CC3)nc2)c(=O)n(C)c1=O ZINC001235920458 780420325 /nfs/dbraw/zinc/42/03/25/780420325.db2.gz FOLXQZXPEAEVPN-UHFFFAOYSA-N 1 1 317.353 -1.312 20 0 DAADMO CNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001278006454 780421184 /nfs/dbraw/zinc/42/11/84/780421184.db2.gz FQCNTNVIOBRLDX-RYUDHWBXSA-N 1 1 319.365 -1.336 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccnc1=O ZINC001278006454 780421190 /nfs/dbraw/zinc/42/11/90/780421190.db2.gz FQCNTNVIOBRLDX-RYUDHWBXSA-N 1 1 319.365 -1.336 20 0 DAADMO C[C@H](CO)C[N@@H+]1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1 ZINC001277999895 780421566 /nfs/dbraw/zinc/42/15/66/780421566.db2.gz YDSNCNDFSYSKPV-SRVKXCTJSA-N 1 1 307.416 -1.194 20 0 DAADMO C[C@H](CO)C[N@H+]1C[C@@H]2OCCN(S(=O)(=O)N(C)C)[C@H]2C1 ZINC001277999895 780421572 /nfs/dbraw/zinc/42/15/72/780421572.db2.gz YDSNCNDFSYSKPV-SRVKXCTJSA-N 1 1 307.416 -1.194 20 0 DAADMO O=C(C[NH2+][C@@H](CO)CNC(=O)C(=O)NCC(F)F)NC1CC1 ZINC001278105014 780426901 /nfs/dbraw/zinc/42/69/01/780426901.db2.gz DPLNEZBISJOGQM-MRVPVSSYSA-N 1 1 322.312 -2.287 20 0 DAADMO Cc1nocc1C[NH2+][C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001278104999 780426998 /nfs/dbraw/zinc/42/69/98/780426998.db2.gz DHSQJUJZSUEBEH-VIFPVBQESA-N 1 1 320.296 -1.069 20 0 DAADMO O=C(NC[C@H](CO)[NH2+]CCO[C@H]1CC1(F)F)c1cnn[nH]1 ZINC001278105752 780428706 /nfs/dbraw/zinc/42/87/06/780428706.db2.gz NRQOBADSKYTQTF-APPZFPTMSA-N 1 1 305.285 -1.091 20 0 DAADMO O=C(NC[C@H](CO)[NH2+][C@H]1CCNC1=O)C(=O)Nc1ccccc1 ZINC001278106361 780428931 /nfs/dbraw/zinc/42/89/31/780428931.db2.gz XNJXOEBSSGZZLY-NEPJUHHUSA-N 1 1 320.349 -1.420 20 0 DAADMO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001278145956 780430853 /nfs/dbraw/zinc/43/08/53/780430853.db2.gz CTJVORZCHDUKGF-QWRGUYRKSA-N 1 1 316.402 -1.569 20 0 DAADMO O=S(=O)([N-][C@H]1CCS(=O)(=O)C12C[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001238244997 780436687 /nfs/dbraw/zinc/43/66/87/780436687.db2.gz ZEDXOCFXKLUTAV-BDAKNGLRSA-N 1 1 309.413 -2.203 20 0 DAADMO C[C@@H]1[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C(=O)NCC1CC1 ZINC001278307793 780445170 /nfs/dbraw/zinc/44/51/70/780445170.db2.gz HTWCCEXDJALMJC-MWLCHTKSSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C(=O)NCC1CC1 ZINC001278307792 780445438 /nfs/dbraw/zinc/44/54/38/780445438.db2.gz HTWCCEXDJALMJC-KOLCDFICSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@]1(NC(=O)CC(N)=O)CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001278376256 780446941 /nfs/dbraw/zinc/44/69/41/780446941.db2.gz ZCLGKLKFZZIGBT-AWEZNQCLSA-N 1 1 310.354 -1.409 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N[C@]1(C)CC[N@@H+](CCOCCO)C1 ZINC001278381408 780446964 /nfs/dbraw/zinc/44/69/64/780446964.db2.gz KJPBRYMBLTWAAX-GXFFZTMASA-N 1 1 302.375 -1.367 20 0 DAADMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](CCOCCO)C1 ZINC001278421551 780448171 /nfs/dbraw/zinc/44/81/71/780448171.db2.gz VVSACMLDBZNFNN-GXFFZTMASA-N 1 1 300.359 -1.743 20 0 DAADMO CCOC(=O)C1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CNC1 ZINC001246011746 780448469 /nfs/dbraw/zinc/44/84/69/780448469.db2.gz SZKRJPDPWAKBAB-NSHDSACASA-N 1 1 301.387 -1.653 20 0 DAADMO COC(=O)[C@@]1(N)CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246056450 780449499 /nfs/dbraw/zinc/44/94/99/780449499.db2.gz VPGUEGDCPBYALS-SMDDNHRTSA-N 1 1 301.387 -1.572 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CCN1 ZINC001246140920 780450777 /nfs/dbraw/zinc/45/07/77/780450777.db2.gz HCMCGVUOMJDDKX-OUAUKWLOSA-N 1 1 317.411 -1.601 20 0 DAADMO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278437895 780452406 /nfs/dbraw/zinc/45/24/06/780452406.db2.gz KKOAZFUFQNZQQY-OTYXRUKQSA-N 1 1 320.353 -1.267 20 0 DAADMO C[C@]1(NC(=O)Cc2nc[nH]n2)CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001278437895 780452409 /nfs/dbraw/zinc/45/24/09/780452409.db2.gz KKOAZFUFQNZQQY-OTYXRUKQSA-N 1 1 320.353 -1.267 20 0 DAADMO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@@H]1C[NH2+]CCN1 ZINC001246491591 780454142 /nfs/dbraw/zinc/45/41/42/780454142.db2.gz UHSQVBJASOUIJV-RYUDHWBXSA-N 1 1 321.443 -1.106 20 0 DAADMO O=C([C@@H]1C[C@H]([NH2+]C(CCO)CCO)CN1)N1CCSC1 ZINC001246332339 780454342 /nfs/dbraw/zinc/45/43/42/780454342.db2.gz IGOACEPKSRKVIB-RYUDHWBXSA-N 1 1 303.428 -1.027 20 0 DAADMO C[C@@H]1O[C@@H](OCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001246525119 780455835 /nfs/dbraw/zinc/45/58/35/780455835.db2.gz MHDGZLQIOMJMON-DXFKDOMKSA-N 1 1 316.398 -1.297 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCOC[C@]3(CNCCO3)C2)CCN1 ZINC001246608496 780455917 /nfs/dbraw/zinc/45/59/17/780455917.db2.gz XILHVILFBMCBRB-IPYPFGDCSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CCOC[C@]3(CNCCO3)C2)CCN1 ZINC001246608496 780455919 /nfs/dbraw/zinc/45/59/19/780455919.db2.gz XILHVILFBMCBRB-IPYPFGDCSA-N 1 1 313.398 -1.029 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001246757568 780456621 /nfs/dbraw/zinc/45/66/21/780456621.db2.gz CEIGBTVOIPXTJF-TYNCELHUSA-N 1 1 324.381 -1.687 20 0 DAADMO CNC(=O)c1cnc2n1CCN([C@@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246712410 780456768 /nfs/dbraw/zinc/45/67/68/780456768.db2.gz ZLXIVXRVZJCRNN-UWVGGRQHSA-N 1 1 307.354 -1.038 20 0 DAADMO CNC(=O)c1cnc2n1CCN([C@H]1C[NH2+][C@H](C(=O)OC)C1)C2 ZINC001246712415 780456994 /nfs/dbraw/zinc/45/69/94/780456994.db2.gz ZLXIVXRVZJCRNN-ZJUUUORDSA-N 1 1 307.354 -1.038 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CCN(C(C)=O)[C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246963897 780458020 /nfs/dbraw/zinc/45/80/20/780458020.db2.gz ZXLKAUNJEWYFAJ-WOPDTQHZSA-N 1 1 313.354 -1.404 20 0 DAADMO CCS(=O)(=O)N1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246859376 780458269 /nfs/dbraw/zinc/45/82/69/780458269.db2.gz DJMXXEQOZTWOLL-MNOVXSKESA-N 1 1 305.400 -1.143 20 0 DAADMO COC(=O)[C@@H]1C[C@@H](N2CCN(C(C)=O)[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246963889 780458448 /nfs/dbraw/zinc/45/84/48/780458448.db2.gz ZXLKAUNJEWYFAJ-GRYCIOLGSA-N 1 1 313.354 -1.404 20 0 DAADMO COC(=O)[C@@H]1C[C@H](N2CCN(C(C)=O)[C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246963895 780458652 /nfs/dbraw/zinc/45/86/52/780458652.db2.gz ZXLKAUNJEWYFAJ-SRVKXCTJSA-N 1 1 313.354 -1.404 20 0 DAADMO CN1CCN(CCC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251002302 780463798 /nfs/dbraw/zinc/46/37/98/780463798.db2.gz BELOYTSMFWOAFA-OAHLLOKOSA-N 1 1 300.447 -1.093 20 0 DAADMO COC(=O)c1ncc(=O)[nH]c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251044124 780464362 /nfs/dbraw/zinc/46/43/62/780464362.db2.gz VFXOGTGFYQZBSV-VIFPVBQESA-N 1 1 312.326 -1.339 20 0 DAADMO NC(=O)C([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)C(N)=O ZINC001251621705 780465514 /nfs/dbraw/zinc/46/55/14/780465514.db2.gz GATCXIZCVAWSGO-SCSAIBSYSA-N 1 1 305.228 -1.807 20 0 DAADMO COCCN1CCO[C@H]2C[N@@H+](C[C@H](O)CO)CC[C@H]2C1=O ZINC001252058385 780468648 /nfs/dbraw/zinc/46/86/48/780468648.db2.gz BBDOHTQCUMJTAK-XQQFMLRXSA-N 1 1 302.371 -1.465 20 0 DAADMO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](O)CO)C2 ZINC001252057026 780468687 /nfs/dbraw/zinc/46/86/87/780468687.db2.gz AHZPZZRLEDJTST-OBJOEFQTSA-N 1 1 302.371 -1.274 20 0 DAADMO Cn1ccnc1C(=O)N[C@H]1C[N@H+](C[C@H](O)CO)[C@@H]2CCCO[C@@H]21 ZINC001252059559 780469409 /nfs/dbraw/zinc/46/94/09/780469409.db2.gz BHNNVCJSTRAESU-WUHRBBMRSA-N 1 1 324.381 -1.265 20 0 DAADMO Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C[C@H](O)CO)[C@@H]2CCCO[C@@H]21 ZINC001252059559 780469412 /nfs/dbraw/zinc/46/94/12/780469412.db2.gz BHNNVCJSTRAESU-WUHRBBMRSA-N 1 1 324.381 -1.265 20 0 DAADMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C[C@@H](O)C(=O)OC)C[C@H]21 ZINC001252415473 780469891 /nfs/dbraw/zinc/46/98/91/780469891.db2.gz PQHNVZHCAMSAHV-WRWGMCAJSA-N 1 1 300.355 -1.007 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(=O)OC)C1 ZINC001252419128 780470366 /nfs/dbraw/zinc/47/03/66/780470366.db2.gz FHILASQJZUXJNM-KXUCPTDWSA-N 1 1 303.311 -1.196 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001252418110 780470450 /nfs/dbraw/zinc/47/04/50/780470450.db2.gz PDCGTYISHLKTLQ-OUAUKWLOSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001252418110 780470452 /nfs/dbraw/zinc/47/04/52/780470452.db2.gz PDCGTYISHLKTLQ-OUAUKWLOSA-N 1 1 306.384 -1.124 20 0 DAADMO COC(=O)[C@H](O)C[N@@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001252417778 780470501 /nfs/dbraw/zinc/47/05/01/780470501.db2.gz MZFCZUYYDCYWHO-GFCCVEGCSA-N 1 1 311.342 -1.346 20 0 DAADMO COC(=O)[C@H](O)C[N@H+]1CCCn2nnc(CNC(C)=O)c2C1 ZINC001252417778 780470502 /nfs/dbraw/zinc/47/05/02/780470502.db2.gz MZFCZUYYDCYWHO-GFCCVEGCSA-N 1 1 311.342 -1.346 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252818516 780473650 /nfs/dbraw/zinc/47/36/50/780473650.db2.gz SKFOLFKGCWFOAV-KBPBESRZSA-N 1 1 302.371 -1.057 20 0 DAADMO COC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001252818476 780473727 /nfs/dbraw/zinc/47/37/27/780473727.db2.gz QYHABKJJKLKNPL-RFQIPJPRSA-N 1 1 314.382 -1.058 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC001252818476 780473732 /nfs/dbraw/zinc/47/37/32/780473732.db2.gz QYHABKJJKLKNPL-RFQIPJPRSA-N 1 1 314.382 -1.058 20 0 DAADMO NC(=O)CNC(=O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950862 780474438 /nfs/dbraw/zinc/47/44/38/780474438.db2.gz HYWGJJQJUOIAQI-INIZCTEOSA-N 1 1 320.393 -1.186 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](CC1(O)CCOCC1)C2 ZINC001252961137 780474984 /nfs/dbraw/zinc/47/49/84/780474984.db2.gz ZKYDJPZVDGTSDC-CQSZACIVSA-N 1 1 311.382 -1.049 20 0 DAADMO NC(=O)C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252950030 780475055 /nfs/dbraw/zinc/47/50/55/780475055.db2.gz BJFBXOSRPSLQQB-XJKSGUPXSA-N 1 1 320.393 -1.058 20 0 DAADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001253025911 780475385 /nfs/dbraw/zinc/47/53/85/780475385.db2.gz AWQNSPNXNBCNCL-SDDRHHMPSA-N 1 1 314.386 -1.679 20 0 DAADMO C[C@@](O)(C[NH2+][C@@H](CC(N)=O)C(N)=O)C(=O)OCc1ccccc1 ZINC001253662822 780477855 /nfs/dbraw/zinc/47/78/55/780477855.db2.gz DIJSSIYFHCZTLX-XHDPSFHLSA-N 1 1 323.349 -1.200 20 0 DAADMO CC[NH+](CC)Cc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1 ZINC001254113364 780481351 /nfs/dbraw/zinc/48/13/51/780481351.db2.gz MKHZSOWUGCSFDK-SJHCENCUSA-N 1 1 316.358 -2.080 20 0 DAADMO COc1nccc(C[N@@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766259 780483703 /nfs/dbraw/zinc/48/37/03/780483703.db2.gz INYHOGAHVVNWME-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO COc1nccc(C[N@H+]2CC[C@@](O)(CNC(=O)CC(N)=O)C2)n1 ZINC001278766259 780483709 /nfs/dbraw/zinc/48/37/09/780483709.db2.gz INYHOGAHVVNWME-CQSZACIVSA-N 1 1 323.353 -1.586 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C(N)=O)C(N)=O)CC1=O ZINC001254234266 780484951 /nfs/dbraw/zinc/48/49/51/780484951.db2.gz YGXOZBFBHZTQEH-SSDOTTSWSA-N 1 1 314.342 -1.159 20 0 DAADMO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1)C(N)=O ZINC001254326397 780485403 /nfs/dbraw/zinc/48/54/03/780485403.db2.gz CDXABPYETWPLFK-GUBZILKMSA-N 1 1 305.400 -1.222 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1nncs1)C(=O)[C@@H]1CCNC1=O ZINC001278789837 780487424 /nfs/dbraw/zinc/48/74/24/780487424.db2.gz ASMHHDXHTZXIJD-DTWKUNHWSA-N 1 1 313.383 -1.417 20 0 DAADMO COC[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001278786732 780487528 /nfs/dbraw/zinc/48/75/28/780487528.db2.gz HFOSXIGEEKAKMF-QMTHXVAHSA-N 1 1 317.386 -1.942 20 0 DAADMO C[C@@H](CNC(=O)C(=O)NCC1=CC[N@@H+](C)CC1)S(N)(=O)=O ZINC001254438874 780487663 /nfs/dbraw/zinc/48/76/63/780487663.db2.gz QLZKIGFKTWZXCU-VIFPVBQESA-N 1 1 318.399 -1.842 20 0 DAADMO C[C@H](CNC(=O)C(=O)NCC1=CC[N@@H+](C)CC1)S(N)(=O)=O ZINC001254438873 780487673 /nfs/dbraw/zinc/48/76/73/780487673.db2.gz QLZKIGFKTWZXCU-SECBINFHSA-N 1 1 318.399 -1.842 20 0 DAADMO CC[C@]1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CCNC1=O ZINC001278786462 780488007 /nfs/dbraw/zinc/48/80/07/780488007.db2.gz CZEJCJFDCGYLKZ-KBPBESRZSA-N 1 1 312.370 -2.059 20 0 DAADMO CC[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CCNC1=O ZINC001278786462 780488014 /nfs/dbraw/zinc/48/80/14/780488014.db2.gz CZEJCJFDCGYLKZ-KBPBESRZSA-N 1 1 312.370 -2.059 20 0 DAADMO O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)c1csnn1 ZINC001278796414 780489056 /nfs/dbraw/zinc/48/90/56/780489056.db2.gz ZMHGJFLLDKESRG-LBPRGKRZSA-N 1 1 316.383 -1.286 20 0 DAADMO COc1ccnc(C[N@@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001278799569 780490777 /nfs/dbraw/zinc/49/07/77/780490777.db2.gz FBIVWBYMIXILIG-CQSZACIVSA-N 1 1 308.338 -1.372 20 0 DAADMO COc1ccnc(C[N@H+]2CC[C@@](O)(CNC(=O)C(N)=O)C2)c1 ZINC001278799569 780490778 /nfs/dbraw/zinc/49/07/78/780490778.db2.gz FBIVWBYMIXILIG-CQSZACIVSA-N 1 1 308.338 -1.372 20 0 DAADMO COCCCC[N@H+]1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278800753 780491009 /nfs/dbraw/zinc/49/10/09/780491009.db2.gz PRPKPQFJCSHPJP-ZDUSSCGKSA-N 1 1 312.374 -1.197 20 0 DAADMO CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)C1=NC(=O)N(C)C1 ZINC001278805324 780491133 /nfs/dbraw/zinc/49/11/33/780491133.db2.gz XSURUHZZZDGHRF-JTQLQIEISA-N 1 1 323.357 -1.560 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001278800676 780491144 /nfs/dbraw/zinc/49/11/44/780491144.db2.gz PMHZFDFSCQLKGP-AWEZNQCLSA-N 1 1 312.370 -1.917 20 0 DAADMO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001278800676 780491146 /nfs/dbraw/zinc/49/11/46/780491146.db2.gz PMHZFDFSCQLKGP-AWEZNQCLSA-N 1 1 312.370 -1.917 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001278821583 780491847 /nfs/dbraw/zinc/49/18/47/780491847.db2.gz LMAWNHGGAKAXCK-YGRLFVJLSA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)c1cccnn1 ZINC001278815748 780492166 /nfs/dbraw/zinc/49/21/66/780492166.db2.gz IEZBGGUMWHUSHJ-CQSZACIVSA-N 1 1 310.354 -1.348 20 0 DAADMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001254876543 780492636 /nfs/dbraw/zinc/49/26/36/780492636.db2.gz DTYXKEBGYFYONZ-HNNXBMFYSA-N 1 1 322.365 -1.185 20 0 DAADMO C[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](CCOCCO)C2)CCOC1 ZINC001278816613 780492677 /nfs/dbraw/zinc/49/26/77/780492677.db2.gz UMOWVJUCLGPJKW-CABCVRRESA-N 1 1 316.398 -1.025 20 0 DAADMO CCn1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1=O ZINC001254876865 780492782 /nfs/dbraw/zinc/49/27/82/780492782.db2.gz LXZZJUGRTCJZPR-OAHLLOKOSA-N 1 1 322.365 -1.011 20 0 DAADMO CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001278822997 780494387 /nfs/dbraw/zinc/49/43/87/780494387.db2.gz VVJHKAIPEIJICV-CQSZACIVSA-N 1 1 312.370 -1.253 20 0 DAADMO COCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001278838096 780495173 /nfs/dbraw/zinc/49/51/73/780495173.db2.gz QHPOJWOGYWXVHJ-LBPRGKRZSA-N 1 1 302.371 -1.009 20 0 DAADMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001278844929 780496306 /nfs/dbraw/zinc/49/63/06/780496306.db2.gz PEYSERQHMQRUPY-QWHCGFSZSA-N 1 1 324.381 -1.051 20 0 DAADMO Cc1nccnc1C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278852227 780498070 /nfs/dbraw/zinc/49/80/70/780498070.db2.gz ZDSDEWSPACVHLT-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO Cc1nccnc1C[N@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001278852227 780498073 /nfs/dbraw/zinc/49/80/73/780498073.db2.gz ZDSDEWSPACVHLT-NSHDSACASA-N 1 1 309.370 -1.088 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO[C@@H]1CC1(F)F)C(=O)C(N)=O ZINC001278868412 780499468 /nfs/dbraw/zinc/49/94/68/780499468.db2.gz BFOZEFZAAVULJQ-DTWKUNHWSA-N 1 1 309.313 -1.353 20 0 DAADMO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001278865134 780499442 /nfs/dbraw/zinc/49/94/42/780499442.db2.gz QXKPMIWDACHCEX-VIFPVBQESA-N 1 1 311.329 -1.235 20 0 DAADMO COC[C@H](C)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001255561533 780500170 /nfs/dbraw/zinc/50/01/70/780500170.db2.gz CJLRPOWBIZHOKT-RULNCXCMSA-N 1 1 314.342 -1.898 20 0 DAADMO Cc1noc(CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O)n1 ZINC001278874359 780500756 /nfs/dbraw/zinc/50/07/56/780500756.db2.gz XBVSPWYNODCEKG-SNVBAGLBSA-N 1 1 313.358 -1.453 20 0 DAADMO COC[C@@H](C)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001255561507 780500846 /nfs/dbraw/zinc/50/08/46/780500846.db2.gz CJLRPOWBIZHOKT-NLMQRWQWSA-N 1 1 314.342 -1.898 20 0 DAADMO COC[C@@H](C)[NH2+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001255561446 780501019 /nfs/dbraw/zinc/50/10/19/780501019.db2.gz CCAIOUNXCKSJMV-NLMQRWQWSA-N 1 1 315.326 -1.807 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278874151 780501086 /nfs/dbraw/zinc/50/10/86/780501086.db2.gz UVVLDZLPIUNTIV-SCZZXKLOSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001278874151 780501091 /nfs/dbraw/zinc/50/10/91/780501091.db2.gz UVVLDZLPIUNTIV-SCZZXKLOSA-N 1 1 300.359 -2.110 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)CN1C(=O)CCC1=O ZINC001278882176 780502039 /nfs/dbraw/zinc/50/20/39/780502039.db2.gz BCZANILBGGWWMC-LLVKDONJSA-N 1 1 315.370 -1.731 20 0 DAADMO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001278883523 780503652 /nfs/dbraw/zinc/50/36/52/780503652.db2.gz YXZQUAWNGXVLHE-WDEREUQCSA-N 1 1 315.370 -1.733 20 0 DAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1C(=O)CCC1=O ZINC001278883521 780503703 /nfs/dbraw/zinc/50/37/03/780503703.db2.gz YXZQUAWNGXVLHE-MNOVXSKESA-N 1 1 315.370 -1.733 20 0 DAADMO C[C@H]1C[N@@H+](CCCNC(=O)c2cn(CC(N)=O)nn2)CCCO1 ZINC001255847521 780504155 /nfs/dbraw/zinc/50/41/55/780504155.db2.gz VKFGSFQQRMBQFF-NSHDSACASA-N 1 1 324.385 -1.006 20 0 DAADMO NC(=O)C1(C(=O)NCC2(O)C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001278903727 780505338 /nfs/dbraw/zinc/50/53/38/780505338.db2.gz QNXDEOWWYCFAME-LLVKDONJSA-N 1 1 311.382 -1.159 20 0 DAADMO CC(C)N(CC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001278900600 780506264 /nfs/dbraw/zinc/50/62/64/780506264.db2.gz YBKVNSNUWDZVNJ-SNVBAGLBSA-N 1 1 312.370 -1.164 20 0 DAADMO CC(C)N(CC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001278900600 780506273 /nfs/dbraw/zinc/50/62/73/780506273.db2.gz YBKVNSNUWDZVNJ-SNVBAGLBSA-N 1 1 312.370 -1.164 20 0 DAADMO COCCC[NH+]1CC(O)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001278906583 780506500 /nfs/dbraw/zinc/50/65/00/780506500.db2.gz AGIVJUXPDUADCH-UHFFFAOYSA-N 1 1 311.386 -1.053 20 0 DAADMO [NH3+][C@@H]1NCN(C2CCN(c3ncccn3)CC2)[C@@H]2NCN[C@H]21 ZINC001256053998 780506935 /nfs/dbraw/zinc/50/69/35/780506935.db2.gz MCAJAJAWKQTREC-XQQFMLRXSA-N 1 1 304.402 -1.562 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC001257382468 780514117 /nfs/dbraw/zinc/51/41/17/780514117.db2.gz JHHYKIKBXQUXIA-NSHDSACASA-N 1 1 313.354 -1.403 20 0 DAADMO C[N@H+](CCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001257382976 780514657 /nfs/dbraw/zinc/51/46/57/780514657.db2.gz PYHVJFNPMDIBFA-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO C[N@@H+](CCNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001257382976 780514666 /nfs/dbraw/zinc/51/46/66/780514666.db2.gz PYHVJFNPMDIBFA-NSHDSACASA-N 1 1 317.411 -1.158 20 0 DAADMO COCC[N@H+](CCNC(=O)COC)[C@H]1CCC(=O)NC1=O ZINC001279040886 780515512 /nfs/dbraw/zinc/51/55/12/780515512.db2.gz ONXNZXGNFNJEQN-JTQLQIEISA-N 1 1 301.343 -1.497 20 0 DAADMO COCC[N@@H+](CCNC(=O)COC)[C@H]1CCC(=O)NC1=O ZINC001279040886 780515516 /nfs/dbraw/zinc/51/55/16/780515516.db2.gz ONXNZXGNFNJEQN-JTQLQIEISA-N 1 1 301.343 -1.497 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC001257604414 780515740 /nfs/dbraw/zinc/51/57/40/780515740.db2.gz PLRJFMZORWMSQW-JTQLQIEISA-N 1 1 323.340 -1.091 20 0 DAADMO COC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CCO1 ZINC001257581826 780516110 /nfs/dbraw/zinc/51/61/10/780516110.db2.gz URABOQPLCWCGFR-LLVKDONJSA-N 1 1 324.337 -1.292 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001257582023 780516254 /nfs/dbraw/zinc/51/62/54/780516254.db2.gz WXUWQLIFQCNMDU-JTQLQIEISA-N 1 1 309.326 -1.980 20 0 DAADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H](CO)C2)n1C ZINC001258288477 780519987 /nfs/dbraw/zinc/51/99/87/780519987.db2.gz QUBOXOOMYYYMAW-JTQLQIEISA-N 1 1 309.370 -1.057 20 0 DAADMO C[C@H](O)CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001258382329 780521036 /nfs/dbraw/zinc/52/10/36/780521036.db2.gz HCPGPRXDIOLIFI-RYUDHWBXSA-N 1 1 300.403 -1.422 20 0 DAADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC001258384860 780521351 /nfs/dbraw/zinc/52/13/51/780521351.db2.gz ZCOMGQZCYOHAOX-XQQFMLRXSA-N 1 1 312.414 -1.110 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCn1cc[nH]c(=O)c1=O ZINC001299566275 780524883 /nfs/dbraw/zinc/52/48/83/780524883.db2.gz YMEZTVZJYHZAQB-VXGBXAGGSA-N 1 1 324.381 -1.160 20 0 DAADMO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)C[N@H+]1C1CC1 ZINC001261157098 780536905 /nfs/dbraw/zinc/53/69/05/780536905.db2.gz FWMKYXYQPWQVKP-MXWKQRLJSA-N 1 1 323.397 -1.003 20 0 DAADMO C[C@@H](CNC(=O)C(=O)Nc1cnnn1C)C[NH+]1CCOCC1 ZINC001261203355 780538894 /nfs/dbraw/zinc/53/88/94/780538894.db2.gz XLWIAQGNQLBTHX-JTQLQIEISA-N 1 1 310.358 -1.162 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ncn(C)n1 ZINC001261186081 780539098 /nfs/dbraw/zinc/53/90/98/780539098.db2.gz YQLAVMCTJPEUED-GARJFASQSA-N 1 1 324.385 -1.172 20 0 DAADMO C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ncn(C)n1 ZINC001261186081 780539101 /nfs/dbraw/zinc/53/91/01/780539101.db2.gz YQLAVMCTJPEUED-GARJFASQSA-N 1 1 324.385 -1.172 20 0 DAADMO Cn1nncc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001261203430 780539381 /nfs/dbraw/zinc/53/93/81/780539381.db2.gz ZTRNRCPVYPJTTP-GHMZBOCLSA-N 1 1 322.369 -1.189 20 0 DAADMO COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)c1ncnn1C ZINC001261191158 780539632 /nfs/dbraw/zinc/53/96/32/780539632.db2.gz WOGVOFCADSBAIK-SNVBAGLBSA-N 1 1 312.374 -1.313 20 0 DAADMO Nc1nc(C(=O)NCC[NH+]2CC=CC2)nc(N2CCOCC2)n1 ZINC001261511182 780544997 /nfs/dbraw/zinc/54/49/97/780544997.db2.gz XVXWLGRIXVMJKG-UHFFFAOYSA-N 1 1 319.369 -1.108 20 0 DAADMO CCN1CC[NH+](CCCNC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001261503488 780545219 /nfs/dbraw/zinc/54/52/19/780545219.db2.gz BPCWTGHSZPFOGF-UHFFFAOYSA-N 1 1 318.443 -1.049 20 0 DAADMO CN(Cc1cc[nH]n1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261555739 780548457 /nfs/dbraw/zinc/54/84/57/780548457.db2.gz NMDVGNCWKAQVIX-NWDGAFQWSA-N 1 1 307.354 -1.355 20 0 DAADMO Cn1cc(S(=O)(=O)NCC[NH2+][C@@]2(C(N)=O)CCOC2)cn1 ZINC001261545791 780548614 /nfs/dbraw/zinc/54/86/14/780548614.db2.gz NIWTZDNDUVQQMS-NSHDSACASA-N 1 1 317.371 -2.068 20 0 DAADMO [NH3+]CC1(CCNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001261554364 780549170 /nfs/dbraw/zinc/54/91/70/780549170.db2.gz BYIQTVJAIAUVIL-NWDGAFQWSA-N 1 1 310.398 -1.491 20 0 DAADMO C[C@@H](CO)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261563470 780550006 /nfs/dbraw/zinc/55/00/06/780550006.db2.gz JQSWNOBYDMFFKA-FRRDWIJNSA-N 1 1 313.398 -1.211 20 0 DAADMO C[C@@H](O)CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001261562905 780550040 /nfs/dbraw/zinc/55/00/40/780550040.db2.gz YHWNBTVJTQOCTF-YPMHNXCESA-N 1 1 312.414 -1.280 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC(O)(CO)CC2)C[C@H](C)[N@H+]1C ZINC001261625700 780550895 /nfs/dbraw/zinc/55/08/95/780550895.db2.gz YCCJRJRBGXNCRH-TXEJJXNPSA-N 1 1 313.398 -1.117 20 0 DAADMO C[C@@H]1CN(C(=O)C(=O)N2CCC(O)(CO)CC2)C[C@H](C)[N@@H+]1C ZINC001261625700 780550901 /nfs/dbraw/zinc/55/09/01/780550901.db2.gz YCCJRJRBGXNCRH-TXEJJXNPSA-N 1 1 313.398 -1.117 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001261634495 780551882 /nfs/dbraw/zinc/55/18/82/780551882.db2.gz ILFWXDUPFCOLIS-BDAKNGLRSA-N 1 1 318.324 -1.176 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001261634497 780552465 /nfs/dbraw/zinc/55/24/65/780552465.db2.gz ILFWXDUPFCOLIS-IUCAKERBSA-N 1 1 318.324 -1.176 20 0 DAADMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001261634498 780552516 /nfs/dbraw/zinc/55/25/16/780552516.db2.gz ILFWXDUPFCOLIS-RKDXNWHRSA-N 1 1 318.324 -1.176 20 0 DAADMO CCOC(=O)[C@H](N)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001261644297 780552884 /nfs/dbraw/zinc/55/28/84/780552884.db2.gz WXNJZZQVXKKQQQ-VXGBXAGGSA-N 1 1 300.403 -1.124 20 0 DAADMO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2COCCN2)cn1 ZINC001261817720 780559145 /nfs/dbraw/zinc/55/91/45/780559145.db2.gz ZPIHBHZDHDZFGW-LBPRGKRZSA-N 1 1 324.385 -1.512 20 0 DAADMO C[C@@H](C(=O)N(CCO)CCOCCO)N1CC[NH+](C)CC1 ZINC001261828711 780560786 /nfs/dbraw/zinc/56/07/86/780560786.db2.gz RYORBWWLRHJXPA-ZDUSSCGKSA-N 1 1 303.403 -1.548 20 0 DAADMO COc1ncncc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001261828488 780561005 /nfs/dbraw/zinc/56/10/05/780561005.db2.gz LYOFMSWTKJKDEH-VIFPVBQESA-N 1 1 309.326 -1.394 20 0 DAADMO COCCOCCN1CCN(CCCS(N)(=O)=O)CC1 ZINC001262011829 780565103 /nfs/dbraw/zinc/56/51/03/780565103.db2.gz ANWKYHQPHLGXPU-UHFFFAOYSA-N 1 1 309.432 -1.054 20 0 DAADMO CN1CC[N@@H+](C)CC(C(=O)NCCCCS(N)(=O)=O)C1 ZINC001262173694 780567901 /nfs/dbraw/zinc/56/79/01/780567901.db2.gz PTBRJHZNAFFPBP-UHFFFAOYSA-N 1 1 306.432 -1.335 20 0 DAADMO C[N@@H+](CCNC(=O)C1(CO)CCOCC1)CCOCCO ZINC001262192604 780568506 /nfs/dbraw/zinc/56/85/06/780568506.db2.gz KZROCXAUHMSLJF-UHFFFAOYSA-N 1 1 304.387 -1.168 20 0 DAADMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCn3cncn3)C[C@]2(C)C1 ZINC001262224890 780569551 /nfs/dbraw/zinc/56/95/51/780569551.db2.gz JXKVLVKNHAWXOI-RISCZKNCSA-N 1 1 306.370 -1.196 20 0 DAADMO CN(CCC[NH2+]C[C@@H](O)CN1CCN(C)CC1)S(C)(=O)=O ZINC001262557568 780575533 /nfs/dbraw/zinc/57/55/33/780575533.db2.gz GFTKOWQMMGIBHG-CYBMUJFWSA-N 1 1 322.475 -1.534 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001263805041 780577743 /nfs/dbraw/zinc/57/77/43/780577743.db2.gz KJBIRRUXHQMVGN-VXGBXAGGSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001263805038 780578168 /nfs/dbraw/zinc/57/81/68/780578168.db2.gz KJBIRRUXHQMVGN-NWDGAFQWSA-N 1 1 314.386 -1.448 20 0 DAADMO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001263818903 780578962 /nfs/dbraw/zinc/57/89/62/780578962.db2.gz JCBXAFFLJNIAFB-WDEREUQCSA-N 1 1 312.370 -1.110 20 0 DAADMO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001263816736 780579291 /nfs/dbraw/zinc/57/92/91/780579291.db2.gz HQHSBWDGBABOSF-MNOVXSKESA-N 1 1 312.370 -1.206 20 0 DAADMO CN(CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001264108430 780582164 /nfs/dbraw/zinc/58/21/64/780582164.db2.gz IHUJJVCRMUJXAG-GFCCVEGCSA-N 1 1 300.403 -1.027 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001264185709 780583521 /nfs/dbraw/zinc/58/35/21/780583521.db2.gz ISDFOKPVIXMEPQ-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001264185709 780583523 /nfs/dbraw/zinc/58/35/23/780583523.db2.gz ISDFOKPVIXMEPQ-NSHDSACASA-N 1 1 324.381 -1.163 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1CCOCCO ZINC001264139538 780583610 /nfs/dbraw/zinc/58/36/10/780583610.db2.gz RPZOIBHOIFYCDS-VWYCJHECSA-N 1 1 301.343 -1.317 20 0 DAADMO CN(C[C@H]1CC[N@H+]1CCOCCO)C(=O)[C@H]1CNC(=O)N1 ZINC001264368737 780584720 /nfs/dbraw/zinc/58/47/20/780584720.db2.gz KXDUHJNUNRBWJP-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001264401684 780585164 /nfs/dbraw/zinc/58/51/64/780585164.db2.gz GHXTZJMREHDQFC-AOOOYVTPSA-N 1 1 309.374 -1.057 20 0 DAADMO CCN(C)C(=O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634410 780586456 /nfs/dbraw/zinc/58/64/56/780586456.db2.gz NKJPKSKWSWWXJH-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO CCN(C)C(=O)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001264634410 780586460 /nfs/dbraw/zinc/58/64/60/780586460.db2.gz NKJPKSKWSWWXJH-LLVKDONJSA-N 1 1 314.386 -1.765 20 0 DAADMO COCCC[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001264701221 780587638 /nfs/dbraw/zinc/58/76/38/780587638.db2.gz LVSSTXACRHFATQ-MNOVXSKESA-N 1 1 324.385 -1.008 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001264661071 780587749 /nfs/dbraw/zinc/58/77/49/780587749.db2.gz CJCZZDIVIDSLBL-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001264661071 780587753 /nfs/dbraw/zinc/58/77/53/780587753.db2.gz CJCZZDIVIDSLBL-LLVKDONJSA-N 1 1 314.386 -1.582 20 0 DAADMO CN(CCOCC[N@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001264666347 780587781 /nfs/dbraw/zinc/58/77/81/780587781.db2.gz NCWRQZXNABSTPY-SNVBAGLBSA-N 1 1 315.374 -2.098 20 0 DAADMO CN(CCOCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001264666347 780587786 /nfs/dbraw/zinc/58/77/86/780587786.db2.gz NCWRQZXNABSTPY-SNVBAGLBSA-N 1 1 315.374 -2.098 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001264975959 780588247 /nfs/dbraw/zinc/58/82/47/780588247.db2.gz LVRGOLZLTCMMED-RYUDHWBXSA-N 1 1 301.387 -1.042 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1CC(=O)NC(N)=O ZINC001264714118 780588438 /nfs/dbraw/zinc/58/84/38/780588438.db2.gz PIRICALWGRCGEF-HLTSFMKQSA-N 1 1 311.342 -2.104 20 0 DAADMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1CC(=O)NC(N)=O ZINC001264714118 780588446 /nfs/dbraw/zinc/58/84/46/780588446.db2.gz PIRICALWGRCGEF-HLTSFMKQSA-N 1 1 311.342 -2.104 20 0 DAADMO C[N@@H+](CCCNC(=O)CC(N)=O)CC(=O)NC(=O)NC1CC1 ZINC001264973359 780588560 /nfs/dbraw/zinc/58/85/60/780588560.db2.gz UWTYIGNDLGYDRZ-UHFFFAOYSA-N 1 1 313.358 -1.712 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@H]1CNC(=O)N1)C[C@@H]1CCc2ncnn21 ZINC001265028686 780589428 /nfs/dbraw/zinc/58/94/28/780589428.db2.gz GOHSALFAYRIJRJ-WDEREUQCSA-N 1 1 321.385 -1.115 20 0 DAADMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C(N)=O ZINC001265031043 780589582 /nfs/dbraw/zinc/58/95/82/780589582.db2.gz VBZRYZYMEBRCFV-QMMMGPOBSA-N 1 1 301.347 -1.856 20 0 DAADMO C[C@H](NC(=O)C[N@H+](C)CCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001265030578 780589778 /nfs/dbraw/zinc/58/97/78/780589778.db2.gz ASGWOZSOZALYSP-VIFPVBQESA-N 1 1 315.374 -2.497 20 0 DAADMO C[C@H](NC(=O)C[N@@H+](C)CCCNC(=O)C(N)=O)C(=O)N(C)C ZINC001265030578 780589788 /nfs/dbraw/zinc/58/97/88/780589788.db2.gz ASGWOZSOZALYSP-VIFPVBQESA-N 1 1 315.374 -2.497 20 0 DAADMO CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001264996654 780589845 /nfs/dbraw/zinc/58/98/45/780589845.db2.gz NBAWCUQKBLPYNN-JTQLQIEISA-N 1 1 309.370 -1.034 20 0 DAADMO C[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)N1)C[C@H]1CCc2ncnn21 ZINC001265028684 780590057 /nfs/dbraw/zinc/59/00/57/780590057.db2.gz GOHSALFAYRIJRJ-MNOVXSKESA-N 1 1 321.385 -1.115 20 0 DAADMO Cn1cc(C(=O)NCCC[N@@H+](C)CCN2CCNC2=O)nn1 ZINC001264982241 780590255 /nfs/dbraw/zinc/59/02/55/780590255.db2.gz JMKXHDLXVLOXHH-UHFFFAOYSA-N 1 1 309.374 -1.108 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001265008436 780590699 /nfs/dbraw/zinc/59/06/99/780590699.db2.gz FRDOFPNHBQMZNR-NSHDSACASA-N 1 1 313.402 -1.039 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001264988053 780590988 /nfs/dbraw/zinc/59/09/88/780590988.db2.gz WPZMACDIXMDJNL-HZMBPMFUSA-N 1 1 312.370 -1.083 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001265222814 780593312 /nfs/dbraw/zinc/59/33/12/780593312.db2.gz LKIWKRDHDDXWOP-WDEREUQCSA-N 1 1 303.359 -1.924 20 0 DAADMO C[C@@H](O)C[N@@H+](CCCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001265164666 780593387 /nfs/dbraw/zinc/59/33/87/780593387.db2.gz QDAWCRSTBRKPTK-KOLCDFICSA-N 1 1 312.370 -1.064 20 0 DAADMO CCOCC[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001265221180 780593560 /nfs/dbraw/zinc/59/35/60/780593560.db2.gz WRQFZSUZKKIPER-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@@H+](C2CC2)[C@@H]2CCNC2=O)NC1=O ZINC001265170780 780593854 /nfs/dbraw/zinc/59/38/54/780593854.db2.gz ACSKOMPAONWTDQ-VXGBXAGGSA-N 1 1 323.397 -1.131 20 0 DAADMO CN(C(=O)CC(N)=O)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001265188983 780593995 /nfs/dbraw/zinc/59/39/95/780593995.db2.gz FXUPSNDMAOKINN-UHFFFAOYSA-N 1 1 320.415 -1.666 20 0 DAADMO CN1C[C@H](C(=O)NCCC[N@@H+](C2CC2)[C@H]2CCNC2=O)NC1=O ZINC001265170777 780594040 /nfs/dbraw/zinc/59/40/40/780594040.db2.gz ACSKOMPAONWTDQ-NEPJUHHUSA-N 1 1 323.397 -1.131 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001265222812 780594550 /nfs/dbraw/zinc/59/45/50/780594550.db2.gz LKIWKRDHDDXWOP-MNOVXSKESA-N 1 1 303.359 -1.924 20 0 DAADMO COC[C@H](O)CN1CC[NH+](CCCNC(=O)C(N)=O)CC1 ZINC001265249392 780595202 /nfs/dbraw/zinc/59/52/02/780595202.db2.gz LYYHVCAWYDZDAZ-LLVKDONJSA-N 1 1 302.375 -2.397 20 0 DAADMO C[C@@H](O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001265253680 780595267 /nfs/dbraw/zinc/59/52/67/780595267.db2.gz UQLFFQHKVUFLEM-OLZOCXBDSA-N 1 1 312.414 -1.230 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)[C@@]2(F)CCOC2)CC1 ZINC001265247130 780595575 /nfs/dbraw/zinc/59/55/75/780595575.db2.gz DEGHGCXYHKIXDS-CQSZACIVSA-N 1 1 316.377 -1.276 20 0 DAADMO NC(=O)CN1CC[NH+](CCCNC(=O)[C@]2(F)CCOC2)CC1 ZINC001265247129 780595619 /nfs/dbraw/zinc/59/56/19/780595619.db2.gz DEGHGCXYHKIXDS-AWEZNQCLSA-N 1 1 316.377 -1.276 20 0 DAADMO C[C@H](O)CN1CC[NH+](CCCNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001265240561 780595765 /nfs/dbraw/zinc/59/57/65/780595765.db2.gz UQLFFQHKVUFLEM-QWHCGFSZSA-N 1 1 312.414 -1.230 20 0 DAADMO NC(=O)C(=O)NCCN1CC[NH+](CCc2ccns2)CC1 ZINC001265262472 780596231 /nfs/dbraw/zinc/59/62/31/780596231.db2.gz CBRMCHCKIJLBNK-UHFFFAOYSA-N 1 1 311.411 -1.095 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001265314982 780599323 /nfs/dbraw/zinc/59/93/23/780599323.db2.gz MQAXJHFWFAFLHQ-SNVBAGLBSA-N 1 1 323.353 -1.612 20 0 DAADMO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001265314981 780599970 /nfs/dbraw/zinc/59/99/70/780599970.db2.gz MQAXJHFWFAFLHQ-JTQLQIEISA-N 1 1 323.353 -1.612 20 0 DAADMO NC(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001265512586 780603002 /nfs/dbraw/zinc/60/30/02/780603002.db2.gz ITJKPUAGWDXGEN-HUAZRZQGSA-N 1 1 322.365 -1.221 20 0 DAADMO NC(=O)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001265512584 780603206 /nfs/dbraw/zinc/60/32/06/780603206.db2.gz ITJKPUAGWDXGEN-GYIHNLGQSA-N 1 1 322.365 -1.221 20 0 DAADMO CS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC001265643674 780605501 /nfs/dbraw/zinc/60/55/01/780605501.db2.gz QXHLZFLQAFCVOR-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO CS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC001265643674 780605503 /nfs/dbraw/zinc/60/55/03/780605503.db2.gz QXHLZFLQAFCVOR-SNVBAGLBSA-N 1 1 320.415 -1.618 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001265594908 780606074 /nfs/dbraw/zinc/60/60/74/780606074.db2.gz NOCLBHBOMGUASR-QWRGUYRKSA-N 1 1 324.381 -1.163 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001265592391 780606109 /nfs/dbraw/zinc/60/61/09/780606109.db2.gz AJDVCZGZEFRUJV-LBPRGKRZSA-N 1 1 324.381 -1.253 20 0 DAADMO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001265592390 780606236 /nfs/dbraw/zinc/60/62/36/780606236.db2.gz AJDVCZGZEFRUJV-GFCCVEGCSA-N 1 1 324.381 -1.253 20 0 DAADMO C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1nnnn1C ZINC001265783288 780607173 /nfs/dbraw/zinc/60/71/73/780607173.db2.gz KJZUUNYZLUQKIF-ZETCQYMHSA-N 1 1 316.329 -1.216 20 0 DAADMO CN1CCO[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001265819650 780608168 /nfs/dbraw/zinc/60/81/68/780608168.db2.gz RSNJKUSJNWOMCM-CYBMUJFWSA-N 1 1 312.414 -1.013 20 0 DAADMO Cc1nonc1C[NH2+][C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785976 780608468 /nfs/dbraw/zinc/60/84/68/780608468.db2.gz JSVWNKNGPAUCRE-SVRRBLITSA-N 1 1 310.314 -1.430 20 0 DAADMO Cc1nonc1C[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001265785977 780609018 /nfs/dbraw/zinc/60/90/18/780609018.db2.gz JSVWNKNGPAUCRE-XPUUQOCRSA-N 1 1 310.314 -1.430 20 0 DAADMO C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1nccn1C ZINC001265851097 780609797 /nfs/dbraw/zinc/60/97/97/780609797.db2.gz KJEFXYKIUJAVFZ-JTQLQIEISA-N 1 1 322.369 -1.092 20 0 DAADMO C[N@@H+](CCCNC(=O)Cn1cnc(C(N)=O)n1)C[C@H]1CCOC1 ZINC001265851473 780610093 /nfs/dbraw/zinc/61/00/93/780610093.db2.gz OJJNXUDQHXGNFV-LLVKDONJSA-N 1 1 324.385 -1.148 20 0 DAADMO C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)[NH2+]Cc1nccn1C ZINC001265851099 780610168 /nfs/dbraw/zinc/61/01/68/780610168.db2.gz KJEFXYKIUJAVFZ-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO Cn1c(=O)ccn(CC(=O)NCCC[N@@H+](C)CCF)c1=O ZINC001265857524 780610585 /nfs/dbraw/zinc/61/05/85/780610585.db2.gz DFLIRLRGELJPPO-UHFFFAOYSA-N 1 1 300.334 -1.045 20 0 DAADMO C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)[NH2+]Cc1ncnn1C ZINC001265875910 780611917 /nfs/dbraw/zinc/61/19/17/780611917.db2.gz NJOBWCFLQZQRPL-IUCAKERBSA-N 1 1 308.342 -1.538 20 0 DAADMO CCn1ncnc1C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001265876559 780612074 /nfs/dbraw/zinc/61/20/74/780612074.db2.gz XMOPOXHUGODKKZ-UWVGGRQHSA-N 1 1 322.369 -1.055 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)CCn1ncn(C)c1=O ZINC001265894857 780613503 /nfs/dbraw/zinc/61/35/03/780613503.db2.gz FAPYZLNIDNGBQW-UHFFFAOYSA-N 1 1 312.374 -1.844 20 0 DAADMO CN1CC[C@@H]([N@@H+](C)CCCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001265938956 780614215 /nfs/dbraw/zinc/61/42/15/780614215.db2.gz SCTVIKLHTIVURN-LLVKDONJSA-N 1 1 324.381 -1.292 20 0 DAADMO CNC(=O)C1(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001265934022 780614513 /nfs/dbraw/zinc/61/45/13/780614513.db2.gz AQWZTMRRIIFKRK-UWVGGRQHSA-N 1 1 321.385 -1.012 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@]1(C)CCNC1=O ZINC001265923476 780614834 /nfs/dbraw/zinc/61/48/34/780614834.db2.gz RLUXXHOTSHVXGE-FZMZJTMJSA-N 1 1 301.387 -1.042 20 0 DAADMO C[N@@H+](CCCNC(=O)C(=O)NCC1CC1)CC(=O)NC(N)=O ZINC001265944778 780615068 /nfs/dbraw/zinc/61/50/68/780615068.db2.gz QHRDVVQANNGDBP-UHFFFAOYSA-N 1 1 313.358 -1.854 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nc[nH]n1)[C@@H]1CCC(=O)NC1=O ZINC001265950159 780615618 /nfs/dbraw/zinc/61/56/18/780615618.db2.gz OYASXWUEIHMJNE-SECBINFHSA-N 1 1 308.342 -1.410 20 0 DAADMO C[N@H+](CCCNC(=O)Cc1nnc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001265950159 780615624 /nfs/dbraw/zinc/61/56/24/780615624.db2.gz OYASXWUEIHMJNE-SECBINFHSA-N 1 1 308.342 -1.410 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nnc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC001265950159 780615628 /nfs/dbraw/zinc/61/56/28/780615628.db2.gz OYASXWUEIHMJNE-SECBINFHSA-N 1 1 308.342 -1.410 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265971681 780615970 /nfs/dbraw/zinc/61/59/70/780615970.db2.gz XBIMNUXRKGVGEH-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)NC(=O)CN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265971681 780615975 /nfs/dbraw/zinc/61/59/75/780615975.db2.gz XBIMNUXRKGVGEH-LLVKDONJSA-N 1 1 313.402 -1.168 20 0 DAADMO CNC(=O)C[N@@H+](C)CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001265978104 780615980 /nfs/dbraw/zinc/61/59/80/780615980.db2.gz AZJKSBYXQCYOHR-UHFFFAOYSA-N 1 1 311.346 -2.439 20 0 DAADMO C[C@H](O)C[N@@H+](C)CCCNC(=O)CN1CCC(=O)NC1=O ZINC001265950241 780616014 /nfs/dbraw/zinc/61/60/14/780616014.db2.gz RBXULTDNEKEKLY-JTQLQIEISA-N 1 1 300.359 -1.253 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nc[nH]n1)[C@H]1CCC(=O)NC1=O ZINC001265950160 780616280 /nfs/dbraw/zinc/61/62/80/780616280.db2.gz OYASXWUEIHMJNE-VIFPVBQESA-N 1 1 308.342 -1.410 20 0 DAADMO C[N@H+](CCCNC(=O)Cc1nnc[nH]1)[C@H]1CCC(=O)NC1=O ZINC001265950160 780616283 /nfs/dbraw/zinc/61/62/83/780616283.db2.gz OYASXWUEIHMJNE-VIFPVBQESA-N 1 1 308.342 -1.410 20 0 DAADMO C[N@@H+](CCCNC(=O)Cc1nnc[nH]1)[C@H]1CCC(=O)NC1=O ZINC001265950160 780616288 /nfs/dbraw/zinc/61/62/88/780616288.db2.gz OYASXWUEIHMJNE-VIFPVBQESA-N 1 1 308.342 -1.410 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001265968636 780616468 /nfs/dbraw/zinc/61/64/68/780616468.db2.gz HEFPTYPRJCIGAS-IUCAKERBSA-N 1 1 313.358 -1.714 20 0 DAADMO CC[N@@H+](CCCNC(=O)CC(N)=O)[C@@H](C)C(=O)NC(=O)NC ZINC001266027850 780617261 /nfs/dbraw/zinc/61/72/61/780617261.db2.gz CRJGQUZRILKGSQ-VIFPVBQESA-N 1 1 315.374 -1.466 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)NC(=O)C1(C(N)=O)CC1 ZINC001281090892 780617481 /nfs/dbraw/zinc/61/74/81/780617481.db2.gz NSRZIQCBXSUQLN-JTQLQIEISA-N 1 1 314.386 -1.815 20 0 DAADMO CC[N@@H+](CCCNC(=O)c1cn(C)c(=O)n1C)CC(=O)NC ZINC001266112104 780618090 /nfs/dbraw/zinc/61/80/90/780618090.db2.gz HPYWALRQQYUEOB-UHFFFAOYSA-N 1 1 311.386 -1.088 20 0 DAADMO CC[N@@H+](CCCNC(=O)C(N)=O)CCN(C)S(C)(=O)=O ZINC001266080448 780618671 /nfs/dbraw/zinc/61/86/71/780618671.db2.gz IZNHOZNEUNGZQK-UHFFFAOYSA-N 1 1 308.404 -1.809 20 0 DAADMO C[C@H](CCNC(=O)Cc1nnc[nH]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266182504 780619908 /nfs/dbraw/zinc/61/99/08/780619908.db2.gz JNQUVJRISPBLAU-BDAKNGLRSA-N 1 1 308.342 -1.363 20 0 DAADMO NC(=O)C[N@@H+](CCCNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001266176174 780620434 /nfs/dbraw/zinc/62/04/34/780620434.db2.gz CVPIJQLCPAUXBJ-VIFPVBQESA-N 1 1 310.354 -1.505 20 0 DAADMO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]C(C(N)=O)C(N)=O)C1 ZINC000705082107 780620537 /nfs/dbraw/zinc/62/05/37/780620537.db2.gz KEFQNMJCHFYLGH-ZDUSSCGKSA-N 1 1 316.358 -1.713 20 0 DAADMO COCCOCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001279347322 780621277 /nfs/dbraw/zinc/62/12/77/780621277.db2.gz LELBWDYHUGXQMO-FRRDWIJNSA-N 1 1 311.382 -1.072 20 0 DAADMO NC(=O)CC(=O)NCCN1CCC([NH2+]Cc2cnon2)CC1 ZINC001279425039 780622594 /nfs/dbraw/zinc/62/25/94/780622594.db2.gz UZWFJSNDNWYFAT-UHFFFAOYSA-N 1 1 310.358 -1.385 20 0 DAADMO Cc1cc(C)n(CC[N@@H+]2CCC[C@](CO)(NC(=O)C(N)=O)C2)n1 ZINC001279508175 780623230 /nfs/dbraw/zinc/62/32/30/780623230.db2.gz BHBSSTBRWIKMHA-HNNXBMFYSA-N 1 1 323.397 -1.072 20 0 DAADMO Cc1cc(C)n(CC[N@H+]2CCC[C@](CO)(NC(=O)C(N)=O)C2)n1 ZINC001279508175 780623233 /nfs/dbraw/zinc/62/32/33/780623233.db2.gz BHBSSTBRWIKMHA-HNNXBMFYSA-N 1 1 323.397 -1.072 20 0 DAADMO Cn1ccnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC(=O)N1 ZINC001279673134 780624407 /nfs/dbraw/zinc/62/44/07/780624407.db2.gz QDHPIEMOJIPSNN-LLVKDONJSA-N 1 1 309.370 -1.391 20 0 DAADMO C[C@@H](C(=O)NCC1=CC[N@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001279574016 780624558 /nfs/dbraw/zinc/62/45/58/780624558.db2.gz LMXRKBNQXVQFFY-JTQLQIEISA-N 1 1 322.365 -1.243 20 0 DAADMO C[C@@H](C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1)N1C(=O)CCC1=O ZINC001279574016 780624562 /nfs/dbraw/zinc/62/45/62/780624562.db2.gz LMXRKBNQXVQFFY-JTQLQIEISA-N 1 1 322.365 -1.243 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001279535935 780624597 /nfs/dbraw/zinc/62/45/97/780624597.db2.gz GSRZHWNOHFWVLB-LBPRGKRZSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001279535935 780624604 /nfs/dbraw/zinc/62/46/04/780624604.db2.gz GSRZHWNOHFWVLB-LBPRGKRZSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001279535929 780624781 /nfs/dbraw/zinc/62/47/81/780624781.db2.gz GSRZHWNOHFWVLB-GFCCVEGCSA-N 1 1 310.398 -1.059 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)CN2CCOCC2)CC1 ZINC001279535929 780624785 /nfs/dbraw/zinc/62/47/85/780624785.db2.gz GSRZHWNOHFWVLB-GFCCVEGCSA-N 1 1 310.398 -1.059 20 0 DAADMO CC(=O)N(C)CC(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001279661171 780625134 /nfs/dbraw/zinc/62/51/34/780625134.db2.gz WRVAZNIJXLXTLG-UHFFFAOYSA-N 1 1 313.362 -2.401 20 0 DAADMO CCn1ncc(C[NH2+]CCN(CCO)C(=O)c2cn(C)nn2)n1 ZINC001279704856 780625664 /nfs/dbraw/zinc/62/56/64/780625664.db2.gz GOTDRFIYMFCPMU-UHFFFAOYSA-N 1 1 322.373 -1.349 20 0 DAADMO CC1CCN(CC(=O)N(CCO)CC[NH2+]CC(N)=O)CC1 ZINC001279869524 780628096 /nfs/dbraw/zinc/62/80/96/780628096.db2.gz RMDINWMHCXTMOY-UHFFFAOYSA-N 1 1 300.403 -1.386 20 0 DAADMO CNC(=O)C1(C(=O)N(CCO)CC[NH2+]Cc2cn(C)nn2)CC1 ZINC001279858575 780628296 /nfs/dbraw/zinc/62/82/96/780628296.db2.gz WHHKUULSBRPRRO-UHFFFAOYSA-N 1 1 324.385 -1.748 20 0 DAADMO Cc1ccnc(C[NH2+]CCN(CCO)C(=O)Cn2cncn2)n1 ZINC001279901801 780629985 /nfs/dbraw/zinc/62/99/85/780629985.db2.gz RYXOIZVUYPGKSJ-UHFFFAOYSA-N 1 1 319.369 -1.013 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)C1 ZINC001280710322 780642911 /nfs/dbraw/zinc/64/29/11/780642911.db2.gz REUXOZNPCSIXAU-KKOKHZNYSA-N 1 1 308.382 -1.366 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001280715517 780642925 /nfs/dbraw/zinc/64/29/25/780642925.db2.gz XUOLCUPSDZYFCI-VXGBXAGGSA-N 1 1 324.381 -1.102 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C(N)=O ZINC001280850075 780646296 /nfs/dbraw/zinc/64/62/96/780646296.db2.gz MQAQOQMQLMMNOW-MRVPVSSYSA-N 1 1 301.347 -1.904 20 0 DAADMO COCC(=O)NCCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001280898071 780646986 /nfs/dbraw/zinc/64/69/86/780646986.db2.gz XWZWZVGZONITRU-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO COCC(=O)NCCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001280898071 780646988 /nfs/dbraw/zinc/64/69/88/780646988.db2.gz XWZWZVGZONITRU-LBPRGKRZSA-N 1 1 317.386 -1.445 20 0 DAADMO CNC(=O)CC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001281082109 780658670 /nfs/dbraw/zinc/65/86/70/780658670.db2.gz OFYYQFRRMJKNEX-JTQLQIEISA-N 1 1 311.342 -2.079 20 0 DAADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281093490 780659955 /nfs/dbraw/zinc/65/99/55/780659955.db2.gz FUNRNTZZCHTGNO-QWRGUYRKSA-N 1 1 314.386 -1.815 20 0 DAADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C2 ZINC001281111858 780664496 /nfs/dbraw/zinc/66/44/96/780664496.db2.gz JZNMXTFCALNQAM-VHSXEESVSA-N 1 1 323.353 -2.167 20 0 DAADMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109748 780664579 /nfs/dbraw/zinc/66/45/79/780664579.db2.gz AEKVCIJBUGKFQA-NXEZZACHSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109748 780664581 /nfs/dbraw/zinc/66/45/81/780664581.db2.gz AEKVCIJBUGKFQA-NXEZZACHSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109751 780664639 /nfs/dbraw/zinc/66/46/39/780664639.db2.gz AEKVCIJBUGKFQA-ZJUUUORDSA-N 1 1 316.358 -2.826 20 0 DAADMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)C1 ZINC001281109751 780664642 /nfs/dbraw/zinc/66/46/42/780664642.db2.gz AEKVCIJBUGKFQA-ZJUUUORDSA-N 1 1 316.358 -2.826 20 0 DAADMO Cc1[nH+]ccn1CCCC(=O)N[C@H](CO)CNC(=O)C(N)=O ZINC001281109776 780664683 /nfs/dbraw/zinc/66/46/83/780664683.db2.gz AURZEQRORJNKIS-JTQLQIEISA-N 1 1 311.342 -1.950 20 0 DAADMO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001281264984 780675744 /nfs/dbraw/zinc/67/57/44/780675744.db2.gz SIQULOSVKQTPJV-JTQLQIEISA-N 1 1 302.375 -1.861 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)C1 ZINC001281275051 780677787 /nfs/dbraw/zinc/67/77/87/780677787.db2.gz WQHXIJUFFAGVDA-VHSXEESVSA-N 1 1 300.359 -2.251 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317877 780678265 /nfs/dbraw/zinc/67/82/65/780678265.db2.gz FPHXVGDFZHOTNE-VHSXEESVSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1 ZINC001281317877 780678269 /nfs/dbraw/zinc/67/82/69/780678269.db2.gz FPHXVGDFZHOTNE-VHSXEESVSA-N 1 1 314.386 -1.551 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC=C(CCNC(=O)C(N)=O)CC2)C1 ZINC001281526203 780685208 /nfs/dbraw/zinc/68/52/08/780685208.db2.gz WUMKRXSBJNSYAM-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC=C(CCNC(=O)C(N)=O)CC2)C1 ZINC001281526203 780685210 /nfs/dbraw/zinc/68/52/10/780685210.db2.gz WUMKRXSBJNSYAM-LBPRGKRZSA-N 1 1 324.381 -1.533 20 0 DAADMO Cc1nonc1C[NH2+]CC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001281603383 780686366 /nfs/dbraw/zinc/68/63/66/780686366.db2.gz LSWOPGRVTXLFKJ-UHFFFAOYSA-N 1 1 311.342 -1.303 20 0 DAADMO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001281650811 780688652 /nfs/dbraw/zinc/68/86/52/780688652.db2.gz RGQNPGIBBJEOLZ-HBNTYKKESA-N 1 1 312.370 -2.109 20 0 DAADMO C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001281692052 780690157 /nfs/dbraw/zinc/69/01/57/780690157.db2.gz FPURPZKBVDJDEE-VXGBXAGGSA-N 1 1 324.385 -1.162 20 0 DAADMO C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001281943346 780697133 /nfs/dbraw/zinc/69/71/33/780697133.db2.gz ZHLHUQPFAKPEEG-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001281943346 780697138 /nfs/dbraw/zinc/69/71/38/780697138.db2.gz ZHLHUQPFAKPEEG-IUCAKERBSA-N 1 1 311.342 -2.007 20 0 DAADMO C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCCN1C(=O)C(N)=O ZINC001281957459 780697232 /nfs/dbraw/zinc/69/72/32/780697232.db2.gz RRGQATKQTFGLRE-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCCN1C(=O)C(N)=O ZINC001281957459 780697238 /nfs/dbraw/zinc/69/72/38/780697238.db2.gz RRGQATKQTFGLRE-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001281958088 780697470 /nfs/dbraw/zinc/69/74/70/780697470.db2.gz YFUZAVUGBJJKMP-NWDGAFQWSA-N 1 1 309.370 -1.348 20 0 DAADMO C[C@H](CNC(=O)c1cnnn1C)[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001282378131 780705338 /nfs/dbraw/zinc/70/53/38/780705338.db2.gz KPUCLMMLGFWGDF-RKDXNWHRSA-N 1 1 308.342 -1.330 20 0 DAADMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001282423054 780707783 /nfs/dbraw/zinc/70/77/83/780707783.db2.gz LQMVXQXVIGAMJU-ZJUUUORDSA-N 1 1 300.359 -2.110 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[N@H+](C)Cc1ccnn1C ZINC001282485667 780709749 /nfs/dbraw/zinc/70/97/49/780709749.db2.gz NJWJODCARQOJTI-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO C[C@H](CNC(=O)CN1C(=O)CNC1=O)[N@@H+](C)Cc1ccnn1C ZINC001282485667 780709756 /nfs/dbraw/zinc/70/97/56/780709756.db2.gz NJWJODCARQOJTI-SNVBAGLBSA-N 1 1 322.369 -1.092 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001282596006 780713147 /nfs/dbraw/zinc/71/31/47/780713147.db2.gz VWORAUSWLFQOCA-AWEZNQCLSA-N 1 1 323.353 -1.589 20 0 DAADMO C[C@H](NC(=O)C(N)=O)C1C[NH+](CCN2CCCS2(=O)=O)C1 ZINC001282734523 780714300 /nfs/dbraw/zinc/71/43/00/780714300.db2.gz FSBOVNPKPVALIX-VIFPVBQESA-N 1 1 318.399 -2.056 20 0 DAADMO Cn1nnc(C(=O)N[C@H]2C[N@@H+](CCOCCO)CC2(C)C)n1 ZINC001282820822 780715512 /nfs/dbraw/zinc/71/55/12/780715512.db2.gz FFIZXUYURZIBOU-JTQLQIEISA-N 1 1 312.374 -1.341 20 0 DAADMO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 ZINC001282888941 780718213 /nfs/dbraw/zinc/71/82/13/780718213.db2.gz NIOPQVJMRIFUFR-FIQHERPVSA-N 1 1 324.381 -1.445 20 0 DAADMO Cc1nnc(CC(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001282956941 780725887 /nfs/dbraw/zinc/72/58/87/780725887.db2.gz QZVHEXDCVWFWLT-JTQLQIEISA-N 1 1 311.342 -1.516 20 0 DAADMO Cc1nnc(CC(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001282956941 780725891 /nfs/dbraw/zinc/72/58/91/780725891.db2.gz QZVHEXDCVWFWLT-JTQLQIEISA-N 1 1 311.342 -1.516 20 0 DAADMO Cc1nonc1CC(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282958611 780726068 /nfs/dbraw/zinc/72/60/68/780726068.db2.gz DDDBUWAMTBWBEB-LLVKDONJSA-N 1 1 311.342 -1.516 20 0 DAADMO Cc1nonc1CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282958611 780726075 /nfs/dbraw/zinc/72/60/75/780726075.db2.gz DDDBUWAMTBWBEB-LLVKDONJSA-N 1 1 311.342 -1.516 20 0 DAADMO NC(=O)CC(=O)NCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282954244 780726288 /nfs/dbraw/zinc/72/62/88/780726288.db2.gz OSFCROKASZZKOI-UHFFFAOYSA-N 1 1 316.321 -1.011 20 0 DAADMO Cn1c(C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)c[nH]c1=O ZINC001282960104 780726683 /nfs/dbraw/zinc/72/66/83/780726683.db2.gz VNELSDCLWLZUTB-JTQLQIEISA-N 1 1 311.342 -1.698 20 0 DAADMO Cn1c(C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c[nH]c1=O ZINC001282960104 780726689 /nfs/dbraw/zinc/72/66/89/780726689.db2.gz VNELSDCLWLZUTB-JTQLQIEISA-N 1 1 311.342 -1.698 20 0 DAADMO C[C@@H]1[C@H](C(=O)NCCNC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC001282959645 780726756 /nfs/dbraw/zinc/72/67/56/780726756.db2.gz NZUODVZAWOGYET-JHJVBQTASA-N 1 1 312.414 -1.110 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282959404 780726815 /nfs/dbraw/zinc/72/68/15/780726815.db2.gz MRAHWKNZCAQTGI-VXGBXAGGSA-N 1 1 314.386 -1.536 20 0 DAADMO CC[C@@H](NC(C)=O)C(=O)NCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282959404 780726821 /nfs/dbraw/zinc/72/68/21/780726821.db2.gz MRAHWKNZCAQTGI-VXGBXAGGSA-N 1 1 314.386 -1.536 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282959887 780726904 /nfs/dbraw/zinc/72/69/04/780726904.db2.gz RZSOLNIPRVSGCA-VIFPVBQESA-N 1 1 301.347 -2.522 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282959887 780726907 /nfs/dbraw/zinc/72/69/07/780726907.db2.gz RZSOLNIPRVSGCA-VIFPVBQESA-N 1 1 301.347 -2.522 20 0 DAADMO Cn1cnc(C(=O)NCCNC(=O)CC[NH+]2CCOCC2)c1 ZINC001282970472 780727313 /nfs/dbraw/zinc/72/73/13/780727313.db2.gz MMCVMHOLMXADBT-UHFFFAOYSA-N 1 1 309.370 -1.012 20 0 DAADMO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)c2ccn3nnnc3c2)C1 ZINC001283025895 780733376 /nfs/dbraw/zinc/73/33/76/780733376.db2.gz MDJDPXXKARPFQZ-LLVKDONJSA-N 1 1 317.353 -1.078 20 0 DAADMO COCC(=O)NCCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283024595 780733667 /nfs/dbraw/zinc/73/36/67/780733667.db2.gz DDTRMVPWCGQLIZ-NSHDSACASA-N 1 1 314.386 -1.677 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCCNC(=O)CN1CCNC(=O)C1 ZINC001283026496 780733768 /nfs/dbraw/zinc/73/37/68/780733768.db2.gz BVKREVFBGJBMAN-UHFFFAOYSA-N 1 1 322.369 -2.144 20 0 DAADMO CNS(=O)(=O)CC(=O)NCCNC(=O)C[N@@H+](C)C(C)C ZINC001283029726 780734921 /nfs/dbraw/zinc/73/49/21/780734921.db2.gz VASVRZQUUDYMFO-UHFFFAOYSA-N 1 1 308.404 -1.892 20 0 DAADMO CNC(=O)NCC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283060016 780736926 /nfs/dbraw/zinc/73/69/26/780736926.db2.gz AGDNESREFIQKEK-QWRGUYRKSA-N 1 1 313.402 -1.122 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001283112546 780743325 /nfs/dbraw/zinc/74/33/25/780743325.db2.gz KOPRPGLFGDKJSZ-SNVBAGLBSA-N 1 1 310.354 -1.634 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001283211267 780749568 /nfs/dbraw/zinc/74/95/68/780749568.db2.gz DENZGENPJYZAII-ZOWXZIJZSA-N 1 1 311.382 -1.024 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCCNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001283211267 780749574 /nfs/dbraw/zinc/74/95/74/780749574.db2.gz DENZGENPJYZAII-ZOWXZIJZSA-N 1 1 311.382 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001283211265 780750165 /nfs/dbraw/zinc/75/01/65/780750165.db2.gz DENZGENPJYZAII-HUBLWGQQSA-N 1 1 311.382 -1.024 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001283211265 780750170 /nfs/dbraw/zinc/75/01/70/780750170.db2.gz DENZGENPJYZAII-HUBLWGQQSA-N 1 1 311.382 -1.024 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283212018 780750322 /nfs/dbraw/zinc/75/03/22/780750322.db2.gz MEXIALQHRMSLPB-VWYCJHECSA-N 1 1 312.370 -1.939 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)NCCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283212018 780750327 /nfs/dbraw/zinc/75/03/27/780750327.db2.gz MEXIALQHRMSLPB-VWYCJHECSA-N 1 1 312.370 -1.939 20 0 DAADMO C[N@@H+](CC(=O)Nc1cnccn1)C1CCN(C(=O)C(N)=O)CC1 ZINC001283326470 780756049 /nfs/dbraw/zinc/75/60/49/780756049.db2.gz XVQSTYBECZXORL-UHFFFAOYSA-N 1 1 320.353 -1.177 20 0 DAADMO COCC(=O)NCCOCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001283351318 780757050 /nfs/dbraw/zinc/75/70/50/780757050.db2.gz TWPAOOLUDNHYGY-SNVBAGLBSA-N 1 1 301.343 -1.497 20 0 DAADMO C[C@H](C(=O)NCCOCC[N@@H+](C)[C@@H]1CCNC1=O)n1cncn1 ZINC001283374874 780758136 /nfs/dbraw/zinc/75/81/36/780758136.db2.gz NHGQLFFTGVLRSS-VXGBXAGGSA-N 1 1 324.385 -1.208 20 0 DAADMO CNC(=O)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCCNC1=O ZINC001283386464 780758531 /nfs/dbraw/zinc/75/85/31/780758531.db2.gz CPNUDWYMAKCIEC-LLVKDONJSA-N 1 1 314.386 -1.677 20 0 DAADMO CNC(=O)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCNC1=O ZINC001283386464 780758535 /nfs/dbraw/zinc/75/85/35/780758535.db2.gz CPNUDWYMAKCIEC-LLVKDONJSA-N 1 1 314.386 -1.677 20 0 DAADMO CNC(=O)[C@@H](C)[N@@H+](C)CCOCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283407034 780759962 /nfs/dbraw/zinc/75/99/62/780759962.db2.gz OTJVPGPYWJCLRV-ZJUUUORDSA-N 1 1 315.374 -2.133 20 0 DAADMO C[N@@H+](CCF)CCOCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001283425308 780760901 /nfs/dbraw/zinc/76/09/01/780760901.db2.gz ONNFJSVRBLCFGW-JTQLQIEISA-N 1 1 311.379 -1.288 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)Cn2cnnn2)C1 ZINC001283487877 780762487 /nfs/dbraw/zinc/76/24/87/780762487.db2.gz JJFIJWSALMIYPH-LBPRGKRZSA-N 1 1 323.401 -1.020 20 0 DAADMO C[C@@H](CN(C)C(=O)C(N)=O)[NH2+]CC(=O)Nc1nncs1 ZINC001283665574 780768787 /nfs/dbraw/zinc/76/87/87/780768787.db2.gz XHMHMXKRQKGJBK-LURJTMIESA-N 1 1 300.344 -1.602 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1c[nH]nn1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283681178 780770412 /nfs/dbraw/zinc/77/04/12/780770412.db2.gz XBAUJUPKPZWIOA-GXSJLCMTSA-N 1 1 322.369 -1.021 20 0 DAADMO C[C@@H](CN(C)C(=O)CCc1cnn[nH]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001283681178 780770415 /nfs/dbraw/zinc/77/04/15/780770415.db2.gz XBAUJUPKPZWIOA-GXSJLCMTSA-N 1 1 322.369 -1.021 20 0 DAADMO CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001283772024 780775229 /nfs/dbraw/zinc/77/52/29/780775229.db2.gz UBGQQJAYFHSLAO-LBPRGKRZSA-N 1 1 322.365 -1.172 20 0 DAADMO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](CO)CNC(=O)C(N)=O)c1 ZINC001283798626 780778101 /nfs/dbraw/zinc/77/81/01/780778101.db2.gz YURGFDZVQRWGGM-GFCCVEGCSA-N 1 1 322.365 -1.206 20 0 DAADMO Cc1nc(C(=O)N2CC[NH+](CCCNC(=O)C(N)=O)CC2)c[nH]1 ZINC001283820746 780780813 /nfs/dbraw/zinc/78/08/13/780780813.db2.gz JRLCADLIEBKITI-UHFFFAOYSA-N 1 1 322.369 -1.532 20 0 DAADMO CCC(=O)N1CC[NH+](CCCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001283820762 780780969 /nfs/dbraw/zinc/78/09/69/780780969.db2.gz JZVGVCHPZQZHKU-LLVKDONJSA-N 1 1 311.386 -1.272 20 0 DAADMO Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CN2C(=O)CNC2=O)n1 ZINC001283827107 780782076 /nfs/dbraw/zinc/78/20/76/780782076.db2.gz HPKQCBDOMLLELY-JTQLQIEISA-N 1 1 324.341 -2.461 20 0 DAADMO O=C(C[C@H]1CC(=O)NC1=O)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001283843273 780783497 /nfs/dbraw/zinc/78/34/97/780783497.db2.gz UTWHXWDCJUZCHE-CMPLNLGQSA-N 1 1 320.349 -1.299 20 0 DAADMO COCCOCC(=O)N1C[C@@H]([NH2+]Cc2nnnn2C)C[C@@H]1C ZINC001283961981 780789486 /nfs/dbraw/zinc/78/94/86/780789486.db2.gz AXYGVZLSHQWKRV-QWRGUYRKSA-N 1 1 312.374 -1.048 20 0 DAADMO C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCC[N@H+]1CCOCCO ZINC001284103902 780794563 /nfs/dbraw/zinc/79/45/63/780794563.db2.gz VHHLKHQZBONYSL-RYUDHWBXSA-N 1 1 312.374 -1.349 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001284286108 780803432 /nfs/dbraw/zinc/80/34/32/780803432.db2.gz ZOFJGWRGMSKMQD-ONGXEEELSA-N 1 1 307.354 -1.051 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)C(C)(C)C(N)=O ZINC001284425540 780814652 /nfs/dbraw/zinc/81/46/52/780814652.db2.gz RAVJXQHCLRIYJK-MRVPVSSYSA-N 1 1 313.362 -2.370 20 0 DAADMO CCn1ncnc1C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284444514 780815840 /nfs/dbraw/zinc/81/58/40/780815840.db2.gz KWLULVBBPXMYNK-SNVBAGLBSA-N 1 1 324.385 -1.528 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCN(C)C1=O ZINC001284435817 780816136 /nfs/dbraw/zinc/81/61/36/780816136.db2.gz MQFADNXYZUBFAM-QWRGUYRKSA-N 1 1 311.342 -1.543 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCN(C)C1=O ZINC001284435818 780816184 /nfs/dbraw/zinc/81/61/84/780816184.db2.gz MQFADNXYZUBFAM-WDEREUQCSA-N 1 1 311.342 -1.543 20 0 DAADMO CCn1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCNC2=O)nn1 ZINC001284437998 780816851 /nfs/dbraw/zinc/81/68/51/780816851.db2.gz BTPUDLCSFRYFJO-VXGBXAGGSA-N 1 1 324.385 -1.657 20 0 DAADMO CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCN(C)C1=O ZINC001284435815 780817013 /nfs/dbraw/zinc/81/70/13/780817013.db2.gz MQFADNXYZUBFAM-GHMZBOCLSA-N 1 1 311.342 -1.543 20 0 DAADMO CN(C[C@@H](O)C[NH2+]Cc1ncccn1)C(=O)[C@@]1(C)CCNC1=O ZINC001284449069 780817827 /nfs/dbraw/zinc/81/78/27/780817827.db2.gz ZQNUEFUCGAXIKN-NHYWBVRUSA-N 1 1 321.381 -1.088 20 0 DAADMO CN(C[C@H](O)C[N@H+](C)CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001284492905 780821812 /nfs/dbraw/zinc/82/18/12/780821812.db2.gz PYRQUYHPLVWOAS-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CC(=O)N1CCC1)C(=O)CC(N)=O ZINC001284492905 780821817 /nfs/dbraw/zinc/82/18/17/780821817.db2.gz PYRQUYHPLVWOAS-SNVBAGLBSA-N 1 1 300.359 -2.155 20 0 DAADMO CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCN1C(=O)CCC1=O ZINC001284501397 780821875 /nfs/dbraw/zinc/82/18/75/780821875.db2.gz DAEIHOYSGORZMZ-LLVKDONJSA-N 1 1 315.370 -1.731 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCN1C(=O)CCC1=O ZINC001284501398 780822308 /nfs/dbraw/zinc/82/23/08/780822308.db2.gz DAEIHOYSGORZMZ-NSHDSACASA-N 1 1 315.370 -1.731 20 0 DAADMO CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)[C@@H]1CCN(C)C1=O ZINC001284510690 780823585 /nfs/dbraw/zinc/82/35/85/780823585.db2.gz ZJUFYNVAAWGOJL-NWDGAFQWSA-N 1 1 301.387 -1.402 20 0 DAADMO CC[C@H](C)NC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284508260 780823768 /nfs/dbraw/zinc/82/37/68/780823768.db2.gz CMTGQBQIJNDOST-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CC[C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001284508260 780823778 /nfs/dbraw/zinc/82/37/78/780823778.db2.gz CMTGQBQIJNDOST-UWVGGRQHSA-N 1 1 302.375 -1.863 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502739 780823950 /nfs/dbraw/zinc/82/39/50/780823950.db2.gz STBVUGWURPKJNH-SNVBAGLBSA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502739 780823954 /nfs/dbraw/zinc/82/39/54/780823954.db2.gz STBVUGWURPKJNH-SNVBAGLBSA-N 1 1 316.402 -1.663 20 0 DAADMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284508537 780824209 /nfs/dbraw/zinc/82/42/09/780824209.db2.gz FBGIEIVXMMDPMW-SNVBAGLBSA-N 1 1 314.386 -1.909 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284508537 780824218 /nfs/dbraw/zinc/82/42/18/780824218.db2.gz FBGIEIVXMMDPMW-SNVBAGLBSA-N 1 1 314.386 -1.909 20 0 DAADMO CC(C)N(CC[N@@H+](C)CCO)C(=O)CN1C(=O)CNC1=O ZINC001284558456 780828094 /nfs/dbraw/zinc/82/80/94/780828094.db2.gz MCUAIHRTUHIEIO-UHFFFAOYSA-N 1 1 300.359 -1.301 20 0 DAADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCCN(C)C(=O)C(N)=O)CC2 ZINC001284577555 780829692 /nfs/dbraw/zinc/82/96/92/780829692.db2.gz HMKWZIRKECMCGT-JTQLQIEISA-N 1 1 307.354 -1.186 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)C(N)=O ZINC001284700929 780836291 /nfs/dbraw/zinc/83/62/91/780836291.db2.gz HQXVQVOOEHLOFL-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)C(N)=O ZINC001284700929 780836298 /nfs/dbraw/zinc/83/62/98/780836298.db2.gz HQXVQVOOEHLOFL-JTQLQIEISA-N 1 1 300.359 -1.843 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CCNC1=O ZINC001284875703 780842260 /nfs/dbraw/zinc/84/22/60/780842260.db2.gz YJAYZWWOIJCZKQ-LLVKDONJSA-N 1 1 324.385 -1.484 20 0 DAADMO CN(CCOCC[NH2+]Cc1ncccn1)C(=O)c1nnn(C)n1 ZINC001284874706 780842832 /nfs/dbraw/zinc/84/28/32/780842832.db2.gz NEECBXXTCSASFW-UHFFFAOYSA-N 1 1 320.357 -1.122 20 0 DAADMO O=C(CCn1cnnn1)NCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001284969736 780850301 /nfs/dbraw/zinc/85/03/01/780850301.db2.gz VOVOQZKJVAKDTC-LBPRGKRZSA-N 1 1 319.369 -1.300 20 0 DAADMO O=C(CCn1cnnn1)NCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001284969736 780850305 /nfs/dbraw/zinc/85/03/05/780850305.db2.gz VOVOQZKJVAKDTC-LBPRGKRZSA-N 1 1 319.369 -1.300 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@H]2CCNC2=O)C1 ZINC001284968280 780850450 /nfs/dbraw/zinc/85/04/50/780850450.db2.gz JBXWLGRDSNZBCY-LBPRGKRZSA-N 1 1 319.365 -1.098 20 0 DAADMO C[C@H]1CN(C(=O)C[N@H+]2CC=C(CNC(=O)C(N)=O)CC2)CCO1 ZINC001284959694 780851201 /nfs/dbraw/zinc/85/12/01/780851201.db2.gz LXYSIVZKVAQFRR-NSHDSACASA-N 1 1 324.381 -1.533 20 0 DAADMO C[C@H]1CN(C(=O)C[N@@H+]2CC=C(CNC(=O)C(N)=O)CC2)CCO1 ZINC001284959694 780851206 /nfs/dbraw/zinc/85/12/06/780851206.db2.gz LXYSIVZKVAQFRR-NSHDSACASA-N 1 1 324.381 -1.533 20 0 DAADMO NC(=O)C[N@H+]1CC=C(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001284986111 780852026 /nfs/dbraw/zinc/85/20/26/780852026.db2.gz NZIWRRUZMJNSSH-SNVBAGLBSA-N 1 1 323.353 -1.792 20 0 DAADMO NC(=O)C[N@@H+]1CC=C(CNC(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001284986111 780852033 /nfs/dbraw/zinc/85/20/33/780852033.db2.gz NZIWRRUZMJNSSH-SNVBAGLBSA-N 1 1 323.353 -1.792 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)CC(N)=O ZINC001285428414 780869414 /nfs/dbraw/zinc/86/94/14/780869414.db2.gz ZDLDOQJSVZDLLU-GHMZBOCLSA-N 1 1 314.386 -1.672 20 0 DAADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)CC(N)=O ZINC001285428418 780869733 /nfs/dbraw/zinc/86/97/33/780869733.db2.gz ZDLDOQJSVZDLLU-WDEREUQCSA-N 1 1 314.386 -1.672 20 0 DAADMO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001285558026 780878004 /nfs/dbraw/zinc/87/80/04/780878004.db2.gz NRYWTRJQCQJRJI-NPRAVPSUSA-N 1 1 309.370 -1.592 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001285901182 780897068 /nfs/dbraw/zinc/89/70/68/780897068.db2.gz CJCLACDDDHMELS-LLVKDONJSA-N 1 1 324.385 -1.358 20 0 DAADMO CN(C(=O)C1(C(N)=O)CC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001286037262 780903719 /nfs/dbraw/zinc/90/37/19/780903719.db2.gz ZFAPWQJTZLCAOL-SNVBAGLBSA-N 1 1 308.382 -1.127 20 0 DAADMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081692 780904921 /nfs/dbraw/zinc/90/49/21/780904921.db2.gz SMGFXGOPMUAMDY-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)(NC(=O)CC(N)=O)C2)C1 ZINC001286081692 780904923 /nfs/dbraw/zinc/90/49/23/780904923.db2.gz SMGFXGOPMUAMDY-HZMBPMFUSA-N 1 1 312.370 -1.700 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CC(N)=O)C1 ZINC001286177502 780907846 /nfs/dbraw/zinc/90/78/46/780907846.db2.gz JFQIMXAIDLOVFA-IINYFYTJSA-N 1 1 312.370 -1.964 20 0 DAADMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CN(C(=O)C(N)=O)C1 ZINC001286203896 780910253 /nfs/dbraw/zinc/91/02/53/780910253.db2.gz UCMCEKQCSSJIPQ-SNVBAGLBSA-N 1 1 312.370 -1.843 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001286260446 780911780 /nfs/dbraw/zinc/91/17/80/780911780.db2.gz UHVNMZVUMXRFKJ-RTCCRHLQSA-N 1 1 305.338 -1.503 20 0 DAADMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001286252778 780911815 /nfs/dbraw/zinc/91/18/15/780911815.db2.gz DRBDPIOGFGNSLZ-CNDDSTCGSA-N 1 1 319.365 -1.112 20 0 DAADMO Cc1c[nH+]cn1CC(=O)NCCCOCCNC(=O)C(N)=O ZINC001287489414 780917654 /nfs/dbraw/zinc/91/76/54/780917654.db2.gz KKCIYIVHLKOODL-UHFFFAOYSA-N 1 1 311.342 -1.684 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001287736461 780921985 /nfs/dbraw/zinc/92/19/85/780921985.db2.gz GDOPPSNVRDCZJL-CHWSQXEVSA-N 1 1 322.365 -1.379 20 0 DAADMO CCCOCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001287747957 780922607 /nfs/dbraw/zinc/92/26/07/780922607.db2.gz QBOMVSSTSIXIRL-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO CCCOCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001287747957 780922613 /nfs/dbraw/zinc/92/26/13/780922613.db2.gz QBOMVSSTSIXIRL-NWDGAFQWSA-N 1 1 317.386 -1.663 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001287794085 780928424 /nfs/dbraw/zinc/92/84/24/780928424.db2.gz BGFPEZUTSCOGDZ-VHSXEESVSA-N 1 1 314.386 -1.815 20 0 DAADMO CCC[N@@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCNC1=O ZINC001287816489 780930415 /nfs/dbraw/zinc/93/04/15/780930415.db2.gz NSBOVWBPODUJQQ-GHMZBOCLSA-N 1 1 314.386 -1.942 20 0 DAADMO NC(=O)Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)nn1 ZINC001090829727 781352171 /nfs/dbraw/zinc/35/21/71/781352171.db2.gz FCTWHRDIVOXUJP-JQWIXIFHSA-N 1 1 322.369 -1.662 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@@H](O)C1 ZINC001090834342 781353103 /nfs/dbraw/zinc/35/31/03/781353103.db2.gz UCTBFIOTGNCVMN-PWSUYJOCSA-N 1 1 324.385 -1.449 20 0 DAADMO CCCC[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832486 781355788 /nfs/dbraw/zinc/35/57/88/781355788.db2.gz CCKNNJIFRICJNH-CMPLNLGQSA-N 1 1 324.385 -1.272 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@@H](O)C1 ZINC001090839923 781356526 /nfs/dbraw/zinc/35/65/26/781356526.db2.gz TVFPTMUAZSFSDN-MFKMUULPSA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](O)C1 ZINC001090842840 781356611 /nfs/dbraw/zinc/35/66/11/781356611.db2.gz DVUBHNFWLUMNRW-DGCLKSJQSA-N 1 1 322.365 -1.008 20 0 DAADMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](O)C1 ZINC001090852460 781357193 /nfs/dbraw/zinc/35/71/93/781357193.db2.gz QQWHIGLGFNYWIG-YPMHNXCESA-N 1 1 322.365 -1.008 20 0 DAADMO O=C(Cn1ccnc1)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090848360 781357459 /nfs/dbraw/zinc/35/74/59/781357459.db2.gz FQVWWNHSYNOANN-QWHCGFSZSA-N 1 1 319.369 -1.274 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090847471 781357607 /nfs/dbraw/zinc/35/76/07/781357607.db2.gz VPKFBAKOZRYEGP-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090847471 781357614 /nfs/dbraw/zinc/35/76/14/781357614.db2.gz VPKFBAKOZRYEGP-NWDGAFQWSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090847473 781357651 /nfs/dbraw/zinc/35/76/51/781357651.db2.gz VPKFBAKOZRYEGP-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090847473 781357660 /nfs/dbraw/zinc/35/76/60/781357660.db2.gz VPKFBAKOZRYEGP-VXGBXAGGSA-N 1 1 309.370 -1.477 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090847761 781357680 /nfs/dbraw/zinc/35/76/80/781357680.db2.gz BINSRVAIHCDMHC-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001090847761 781357687 /nfs/dbraw/zinc/35/76/87/781357687.db2.gz BINSRVAIHCDMHC-WDEREUQCSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090847760 781357751 /nfs/dbraw/zinc/35/77/51/781357751.db2.gz BINSRVAIHCDMHC-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001090847760 781357760 /nfs/dbraw/zinc/35/77/60/781357760.db2.gz BINSRVAIHCDMHC-QWRGUYRKSA-N 1 1 309.370 -1.029 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090846871 781358146 /nfs/dbraw/zinc/35/81/46/781358146.db2.gz JATBIHJJHJMURU-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001090846871 781358154 /nfs/dbraw/zinc/35/81/54/781358154.db2.gz JATBIHJJHJMURU-CHWSQXEVSA-N 1 1 321.381 -1.333 20 0 DAADMO O=C(Cn1ccnc1)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001090848358 781358506 /nfs/dbraw/zinc/35/85/06/781358506.db2.gz FQVWWNHSYNOANN-CHWSQXEVSA-N 1 1 319.369 -1.274 20 0 DAADMO Cc1nonc1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001090852142 781358613 /nfs/dbraw/zinc/35/86/13/781358613.db2.gz NMZNECAXRDMCJC-WDEREUQCSA-N 1 1 321.341 -1.165 20 0 DAADMO NC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001090852999 781359870 /nfs/dbraw/zinc/35/98/70/781359870.db2.gz VJUHYWHPBDGWMQ-YPMHNXCESA-N 1 1 322.365 -1.272 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143675417 781361801 /nfs/dbraw/zinc/36/18/01/781361801.db2.gz IDCBIZMSQGGYBE-KBPBESRZSA-N 1 1 324.377 -1.546 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143675417 781361809 /nfs/dbraw/zinc/36/18/09/781361809.db2.gz IDCBIZMSQGGYBE-KBPBESRZSA-N 1 1 324.377 -1.546 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143675419 781362276 /nfs/dbraw/zinc/36/22/76/781362276.db2.gz IDCBIZMSQGGYBE-UONOGXRCSA-N 1 1 324.377 -1.546 20 0 DAADMO O=C(NC(CO)(CO)CO)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143675419 781362278 /nfs/dbraw/zinc/36/22/78/781362278.db2.gz IDCBIZMSQGGYBE-UONOGXRCSA-N 1 1 324.377 -1.546 20 0 DAADMO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001110110027 781363435 /nfs/dbraw/zinc/36/34/35/781363435.db2.gz XQMUCOXYEFSYIW-VWYCJHECSA-N 1 1 305.400 -1.097 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001090979962 781365377 /nfs/dbraw/zinc/36/53/77/781365377.db2.gz GIXNIXMYEBZMJV-HSOILSAZSA-N 1 1 321.385 -1.279 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001090989524 781366252 /nfs/dbraw/zinc/36/62/52/781366252.db2.gz HTHPZMIMXWVEND-HTAVTVPLSA-N 1 1 323.401 -1.475 20 0 DAADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001144332675 781369487 /nfs/dbraw/zinc/36/94/87/781369487.db2.gz HOIUCIMVHRELRY-TUAOUCFPSA-N 1 1 322.365 -1.094 20 0 DAADMO CCc1nc(N2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091078089 781374099 /nfs/dbraw/zinc/37/40/99/781374099.db2.gz RJGXEUDKCDNURN-ZJUUUORDSA-N 1 1 307.354 -1.111 20 0 DAADMO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375486 781375385 /nfs/dbraw/zinc/37/53/85/781375385.db2.gz PYQVAZJMCDXOQG-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001149375486 781375392 /nfs/dbraw/zinc/37/53/92/781375392.db2.gz PYQVAZJMCDXOQG-GHMZBOCLSA-N 1 1 308.400 -1.381 20 0 DAADMO O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)c1cnn[nH]1 ZINC001091115890 781377568 /nfs/dbraw/zinc/37/75/68/781377568.db2.gz GMDWZGGOASKJBU-UHFFFAOYSA-N 1 1 321.341 -1.546 20 0 DAADMO O=C(NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cnn[nH]1 ZINC001091115138 781377931 /nfs/dbraw/zinc/37/79/31/781377931.db2.gz BNCWDBPVZPNKMX-HACHORDNSA-N 1 1 306.326 -1.292 20 0 DAADMO Cc1nn[nH]c1C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001091176992 781380116 /nfs/dbraw/zinc/38/01/16/781380116.db2.gz YIYFFXOQQRVIOQ-UHFFFAOYSA-N 1 1 305.346 -1.065 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001091182971 781381547 /nfs/dbraw/zinc/38/15/47/781381547.db2.gz YCMCHVCBOPIQHH-RTBKNWGFSA-N 1 1 307.358 -1.669 20 0 DAADMO CN1C[C@@H](C(=O)NCC2CC([NH2+]Cc3nnnn3C)C2)NC1=O ZINC001091181597 781381611 /nfs/dbraw/zinc/38/16/11/781381611.db2.gz ODZTYMNKPKQLFM-RTBKNWGFSA-N 1 1 322.373 -1.782 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149206519 781381795 /nfs/dbraw/zinc/38/17/95/781381795.db2.gz HFEYXRLVXIKJBJ-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)C(N)=O)CCCO1 ZINC001149206519 781381801 /nfs/dbraw/zinc/38/18/01/781381801.db2.gz HFEYXRLVXIKJBJ-PWSUYJOCSA-N 1 1 314.386 -1.454 20 0 DAADMO Cn1nnnc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001091182972 781382135 /nfs/dbraw/zinc/38/21/35/781382135.db2.gz YCMCHVCBOPIQHH-UDNWOFFPSA-N 1 1 307.358 -1.669 20 0 DAADMO COc1ccc([C@H](O)C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001144785537 781384682 /nfs/dbraw/zinc/38/46/82/781384682.db2.gz GTXNKFOBGPVTKB-MROQNXINSA-N 1 1 307.354 -1.752 20 0 DAADMO COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001144812202 781384841 /nfs/dbraw/zinc/38/48/41/781384841.db2.gz PDYPNAHCHJWTQV-CSYMLDBXSA-N 1 1 311.386 -1.515 20 0 DAADMO COc1ccc([C@H](O)C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001144785536 781384934 /nfs/dbraw/zinc/38/49/34/781384934.db2.gz GTXNKFOBGPVTKB-CYDGBPFRSA-N 1 1 307.354 -1.752 20 0 DAADMO COc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1O ZINC001144793822 781385375 /nfs/dbraw/zinc/38/53/75/781385375.db2.gz AOPORKAIYVFKDU-MELADBBJSA-N 1 1 307.354 -1.538 20 0 DAADMO CSCC[C@H](NC(C)=O)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001144865475 781386756 /nfs/dbraw/zinc/38/67/56/781386756.db2.gz AKNOISNLMQWCQJ-VLEAKVRGSA-N 1 1 316.431 -2.237 20 0 DAADMO NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC001091325057 781388475 /nfs/dbraw/zinc/38/84/75/781388475.db2.gz ZMZRNGMEVJQAPK-KYHHOPLUSA-N 1 1 306.370 -1.121 20 0 DAADMO NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC001091325057 781388479 /nfs/dbraw/zinc/38/84/79/781388479.db2.gz ZMZRNGMEVJQAPK-KYHHOPLUSA-N 1 1 306.370 -1.121 20 0 DAADMO CC(=O)Nc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001144890855 781388523 /nfs/dbraw/zinc/38/85/23/781388523.db2.gz GLVDFKAJDQLDBD-QLFBSQMISA-N 1 1 318.381 -1.293 20 0 DAADMO CC(=O)Nc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001144890853 781388955 /nfs/dbraw/zinc/38/89/55/781388955.db2.gz GLVDFKAJDQLDBD-ILXRZTDVSA-N 1 1 318.381 -1.293 20 0 DAADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]2C1 ZINC001144898918 781392231 /nfs/dbraw/zinc/39/22/31/781392231.db2.gz DKBTUZDGIPAAPH-OGBGREFGSA-N 1 1 302.327 -3.350 20 0 DAADMO CC(C)(C)[NH+]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144899365 781392636 /nfs/dbraw/zinc/39/26/36/781392636.db2.gz JMEXZRRPOBCMHI-GMTAPVOTSA-N 1 1 318.370 -2.427 20 0 DAADMO O=C(C(=O)N1CC[NH+]2CCC1CC2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899671 781392835 /nfs/dbraw/zinc/39/28/35/781392835.db2.gz MLYLHISTSLYRAW-OUAUKWLOSA-N 1 1 302.327 -3.063 20 0 DAADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144900431 781393983 /nfs/dbraw/zinc/39/39/83/781393983.db2.gz RSOCYBFUXOXTAI-WRWGMCAJSA-N 1 1 318.370 -2.428 20 0 DAADMO O=C(NCc1[nH+]cn2ccccc12)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144906379 781398488 /nfs/dbraw/zinc/39/84/88/781398488.db2.gz DZFZHOLSLKXYQR-GRYCIOLGSA-N 1 1 323.305 -2.405 20 0 DAADMO Cc1[nH+]ccn1CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144906736 781398629 /nfs/dbraw/zinc/39/86/29/781398629.db2.gz UURLXGAQTKJUFH-OPRDCNLKSA-N 1 1 301.299 -3.048 20 0 DAADMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144907471 781400029 /nfs/dbraw/zinc/40/00/29/781400029.db2.gz XWUILSGWAMSMRH-WRWGMCAJSA-N 1 1 318.370 -2.521 20 0 DAADMO COCC(=O)N1C[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC001091415863 781406711 /nfs/dbraw/zinc/40/67/11/781406711.db2.gz IENKDSFSSZLCFI-ABAIWWIYSA-N 1 1 324.381 -1.035 20 0 DAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncnc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262233 781407738 /nfs/dbraw/zinc/40/77/38/781407738.db2.gz AMDFXEIAOZBYHH-HJQYOEGKSA-N 1 1 320.309 -1.811 20 0 DAADMO Cc1nnc(C[NH2+]CCNC(=O)COCc2ncnn2C)[nH]1 ZINC001146201082 781410059 /nfs/dbraw/zinc/41/00/59/781410059.db2.gz UGFUKZBHFQMYNW-UHFFFAOYSA-N 1 1 308.346 -1.336 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)COCc1ncnn1C)c1nncn1C ZINC001146201203 781410877 /nfs/dbraw/zinc/41/08/77/781410877.db2.gz XFKLPRNURUTWPT-JTQLQIEISA-N 1 1 322.373 -1.073 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)COCc2nncn2C)nn1 ZINC001146208436 781411405 /nfs/dbraw/zinc/41/14/05/781411405.db2.gz KTYGOMGWQAQLTO-UHFFFAOYSA-N 1 1 322.373 -1.151 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)COCc1nncn1C)c1nncn1C ZINC001146208513 781412321 /nfs/dbraw/zinc/41/23/21/781412321.db2.gz NJJDNFYUZJCKQM-SNVBAGLBSA-N 1 1 322.373 -1.073 20 0 DAADMO C[C@]12CN(C(=O)CC(N)=O)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091554872 781413029 /nfs/dbraw/zinc/41/30/29/781413029.db2.gz FNWXMSDLAGTNBP-BMIGLBTASA-N 1 1 308.382 -1.079 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149154431 781415486 /nfs/dbraw/zinc/41/54/86/781415486.db2.gz XYPTWCZFWBCXSF-NWDGAFQWSA-N 1 1 309.370 -1.036 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)Cn2cccn2)C1 ZINC001149154431 781415491 /nfs/dbraw/zinc/41/54/91/781415491.db2.gz XYPTWCZFWBCXSF-NWDGAFQWSA-N 1 1 309.370 -1.036 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001146913401 781421233 /nfs/dbraw/zinc/42/12/33/781421233.db2.gz DMJZSDLAUMWVTD-UHFFFAOYSA-N 1 1 323.397 -1.318 20 0 DAADMO Cc1nnc([C@H](C)[NH2+]CCNC(=O)CN2CCC(=O)NC2=O)[nH]1 ZINC001146878506 781422025 /nfs/dbraw/zinc/42/20/25/781422025.db2.gz IRTFHMPMMFCCLY-QMMMGPOBSA-N 1 1 323.357 -1.178 20 0 DAADMO CCC(=O)N1CC[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001146902122 781422228 /nfs/dbraw/zinc/42/22/28/781422228.db2.gz ILFCZMPZKKUFLO-JTQLQIEISA-N 1 1 309.374 -1.326 20 0 DAADMO Cn1cnnc1C[NH2+]CCNC(=O)CNC(=O)c1cscn1 ZINC001146911412 781422240 /nfs/dbraw/zinc/42/22/40/781422240.db2.gz DJAZVKBHCJLPCT-UHFFFAOYSA-N 1 1 323.382 -1.093 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001146914935 781423146 /nfs/dbraw/zinc/42/31/46/781423146.db2.gz SDZMFPOHJNFYSA-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001146914935 781423156 /nfs/dbraw/zinc/42/31/56/781423156.db2.gz SDZMFPOHJNFYSA-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)C3=COCCO3)C2)C1 ZINC001146929181 781424005 /nfs/dbraw/zinc/42/40/05/781424005.db2.gz RRKIVMKLDOAJGH-UHFFFAOYSA-N 1 1 324.337 -1.396 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)C3=COCCO3)C2)C1 ZINC001146929181 781424011 /nfs/dbraw/zinc/42/40/11/781424011.db2.gz RRKIVMKLDOAJGH-UHFFFAOYSA-N 1 1 324.337 -1.396 20 0 DAADMO CC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001146919882 781424714 /nfs/dbraw/zinc/42/47/14/781424714.db2.gz NDTAXKMYOKTIRL-GFCCVEGCSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999345 781426165 /nfs/dbraw/zinc/42/61/65/781426165.db2.gz JETYTHFZZHPHSR-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146999345 781426167 /nfs/dbraw/zinc/42/61/67/781426167.db2.gz JETYTHFZZHPHSR-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001146984586 781427381 /nfs/dbraw/zinc/42/73/81/781427381.db2.gz BYFUMAODWKBHQL-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC1CC1)C2 ZINC001146999297 781427420 /nfs/dbraw/zinc/42/74/20/781427420.db2.gz GULWSUOABDSCRH-UHFFFAOYSA-N 1 1 323.397 -1.285 20 0 DAADMO NC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC1CC1)C2 ZINC001146999297 781427423 /nfs/dbraw/zinc/42/74/23/781427423.db2.gz GULWSUOABDSCRH-UHFFFAOYSA-N 1 1 323.397 -1.285 20 0 DAADMO C[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091608025 781427545 /nfs/dbraw/zinc/42/75/45/781427545.db2.gz HYIAXYRWEKIHHO-DOMZBBRYSA-N 1 1 310.398 -1.416 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147013740 781429343 /nfs/dbraw/zinc/42/93/43/781429343.db2.gz DTFFIOJVDMCJPY-JTQLQIEISA-N 1 1 320.357 -1.112 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147013741 781429505 /nfs/dbraw/zinc/42/95/05/781429505.db2.gz DTFFIOJVDMCJPY-SNVBAGLBSA-N 1 1 320.357 -1.112 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974476 781429716 /nfs/dbraw/zinc/42/97/16/781429716.db2.gz QLEWLDOPQRODIQ-LLVKDONJSA-N 1 1 310.358 -1.785 20 0 DAADMO O=C([C@@H]1COCCO1)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147025794 781430286 /nfs/dbraw/zinc/43/02/86/781430286.db2.gz DNBFMFHZJCRLIU-ZDUSSCGKSA-N 1 1 314.382 -1.055 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001147025584 781430662 /nfs/dbraw/zinc/43/06/62/781430662.db2.gz ACAMUOPNGZHMOQ-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001147025584 781430666 /nfs/dbraw/zinc/43/06/66/781430666.db2.gz ACAMUOPNGZHMOQ-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001147025584 781430670 /nfs/dbraw/zinc/43/06/70/781430670.db2.gz ACAMUOPNGZHMOQ-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001147025584 781430672 /nfs/dbraw/zinc/43/06/72/781430672.db2.gz ACAMUOPNGZHMOQ-UHFFFAOYSA-N 1 1 306.326 -1.248 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3cnns3)C2)C1 ZINC001147056829 781430925 /nfs/dbraw/zinc/43/09/25/781430925.db2.gz OTEYWBNTPRTFRL-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3cnns3)C2)C1 ZINC001147056829 781430933 /nfs/dbraw/zinc/43/09/33/781430933.db2.gz OTEYWBNTPRTFRL-UHFFFAOYSA-N 1 1 324.366 -1.119 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CNC(=O)OC)C2)C1 ZINC001147083290 781433133 /nfs/dbraw/zinc/43/31/33/781433133.db2.gz WYYXOPMBHUAREX-NSHDSACASA-N 1 1 315.370 -1.116 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001147188404 781434508 /nfs/dbraw/zinc/43/45/08/781434508.db2.gz YKUXDVCJOYNJGS-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099887214 781435565 /nfs/dbraw/zinc/43/55/65/781435565.db2.gz ANYQKYNWNCCOHD-GHMZBOCLSA-N 1 1 317.386 -1.942 20 0 DAADMO O=C(Cc1nnc[nH]1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001147277808 781437039 /nfs/dbraw/zinc/43/70/39/781437039.db2.gz MAXKKXHSVMZZIS-JTQLQIEISA-N 1 1 310.358 -1.964 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3ccon3)C2)C1 ZINC001147266094 781437288 /nfs/dbraw/zinc/43/72/88/781437288.db2.gz BKYBHXSBZSZZKL-UHFFFAOYSA-N 1 1 321.337 -1.054 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3ccon3)C2)C1 ZINC001147266094 781437293 /nfs/dbraw/zinc/43/72/93/781437293.db2.gz BKYBHXSBZSZZKL-UHFFFAOYSA-N 1 1 321.337 -1.054 20 0 DAADMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147274137 781437563 /nfs/dbraw/zinc/43/75/63/781437563.db2.gz IFKFTGZZGKFNBG-MRVPVSSYSA-N 1 1 311.342 -2.021 20 0 DAADMO COCCOC[C@@H](O)C[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147263970 781437577 /nfs/dbraw/zinc/43/75/77/781437577.db2.gz CXRAMLHISLQZDV-JTQLQIEISA-N 1 1 301.347 -1.923 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC(=O)NC1CC1 ZINC001147272093 781437686 /nfs/dbraw/zinc/43/76/86/781437686.db2.gz ZZNRXOOGALUTTJ-QMMMGPOBSA-N 1 1 323.357 -1.570 20 0 DAADMO O=C(C[NH2+]CCNC(=O)Cc1nnc[nH]1)NCc1cccnc1 ZINC001147277775 781437889 /nfs/dbraw/zinc/43/78/89/781437889.db2.gz KZOPASRWETZQEQ-UHFFFAOYSA-N 1 1 317.353 -1.236 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)Cc1nnc[nH]1)C(=O)NC[C@H]1CCCO1 ZINC001147271755 781437988 /nfs/dbraw/zinc/43/79/88/781437988.db2.gz QDRSNHIACNEPFO-GHMZBOCLSA-N 1 1 324.385 -1.263 20 0 DAADMO CCS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1nnc[nH]1 ZINC001147271596 781438036 /nfs/dbraw/zinc/43/80/36/781438036.db2.gz KFIIUEUOCFLAFQ-UHFFFAOYSA-N 1 1 303.388 -1.122 20 0 DAADMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(N)=O)nn1 ZINC001147322104 781439236 /nfs/dbraw/zinc/43/92/36/781439236.db2.gz XGPNFSNHHSOTMP-NSHDSACASA-N 1 1 309.374 -1.046 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147358545 781439305 /nfs/dbraw/zinc/43/93/05/781439305.db2.gz GLCLGOSCGZBBCT-SECBINFHSA-N 1 1 310.362 -1.651 20 0 DAADMO CC(=O)N1CC(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)C1 ZINC001091627060 781439655 /nfs/dbraw/zinc/43/96/55/781439655.db2.gz XHOCOVSUOSPCSF-DOMZBBRYSA-N 1 1 308.382 -1.270 20 0 DAADMO Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147363511 781439701 /nfs/dbraw/zinc/43/97/01/781439701.db2.gz FOYRNQCZVSSNKB-SNVBAGLBSA-N 1 1 309.374 -1.046 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001147403743 781441072 /nfs/dbraw/zinc/44/10/72/781441072.db2.gz ODSMYZSYRCZFOV-LLVKDONJSA-N 1 1 308.382 -1.113 20 0 DAADMO CC(C)(O)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147462027 781442957 /nfs/dbraw/zinc/44/29/57/781442957.db2.gz MBERXRLZTHGAHW-UHFFFAOYSA-N 1 1 312.370 -1.123 20 0 DAADMO CC(C)(O)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147462027 781442962 /nfs/dbraw/zinc/44/29/62/781442962.db2.gz MBERXRLZTHGAHW-UHFFFAOYSA-N 1 1 312.370 -1.123 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001147451568 781443412 /nfs/dbraw/zinc/44/34/12/781443412.db2.gz WQMCBVYFZRDNDD-UHFFFAOYSA-N 1 1 306.370 -1.052 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(N)=O)C3)n1 ZINC001147468625 781443515 /nfs/dbraw/zinc/44/35/15/781443515.db2.gz UVTMDIBCCOHNEN-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(N)=O)C3)n1 ZINC001147468625 781443520 /nfs/dbraw/zinc/44/35/20/781443520.db2.gz UVTMDIBCCOHNEN-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001147455475 781443542 /nfs/dbraw/zinc/44/35/42/781443542.db2.gz KWKFYYCUAAVHEK-MNOVXSKESA-N 1 1 313.354 -1.364 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)c3cnnn3C)C2)C1 ZINC001147455079 781443570 /nfs/dbraw/zinc/44/35/70/781443570.db2.gz BTJZUKSERKHEHA-NSHDSACASA-N 1 1 309.370 -1.030 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422257 781443629 /nfs/dbraw/zinc/44/36/29/781443629.db2.gz HJEYMALFYDIANB-QWRGUYRKSA-N 1 1 314.386 -1.415 20 0 DAADMO Cn1nncc1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001147455464 781444200 /nfs/dbraw/zinc/44/42/00/781444200.db2.gz KKAKGFVTBVFUMP-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO Cn1nncc1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001147455464 781444208 /nfs/dbraw/zinc/44/42/08/781444208.db2.gz KKAKGFVTBVFUMP-UHFFFAOYSA-N 1 1 321.341 -1.842 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001147446262 781444257 /nfs/dbraw/zinc/44/42/57/781444257.db2.gz PKNLEPJQSAHRIG-LLVKDONJSA-N 1 1 308.382 -1.065 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@H+](Cc1cnnn1C)C2 ZINC001147446293 781444301 /nfs/dbraw/zinc/44/43/01/781444301.db2.gz QVGWEBZOZOGCIP-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO CNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cnnn1C)C2 ZINC001147446293 781444305 /nfs/dbraw/zinc/44/43/05/781444305.db2.gz QVGWEBZOZOGCIP-UHFFFAOYSA-N 1 1 306.370 -1.015 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]2NCN[C@H]21 ZINC001147554009 781444908 /nfs/dbraw/zinc/44/49/08/781444908.db2.gz AQMRCLXWMKXDGL-AEJSXWLSSA-N 1 1 306.330 -3.241 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]2NCN[C@@H]21 ZINC001147554012 781445254 /nfs/dbraw/zinc/44/52/54/781445254.db2.gz AQMRCLXWMKXDGL-OPRDCNLKSA-N 1 1 306.330 -3.241 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001147455909 781445793 /nfs/dbraw/zinc/44/57/93/781445793.db2.gz YWSZJVBEMGJTHP-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001147455909 781445800 /nfs/dbraw/zinc/44/58/00/781445800.db2.gz YWSZJVBEMGJTHP-JTQLQIEISA-N 1 1 310.354 -1.235 20 0 DAADMO CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566230 781446605 /nfs/dbraw/zinc/44/66/05/781446605.db2.gz MITFNBJZFQNYIG-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566230 781446617 /nfs/dbraw/zinc/44/66/17/781446617.db2.gz MITFNBJZFQNYIG-UHFFFAOYSA-N 1 1 321.385 -1.266 20 0 DAADMO CNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)NC(N)=O)C2)C1 ZINC001147565674 781447182 /nfs/dbraw/zinc/44/71/82/781447182.db2.gz HZGRXGIDKRJKES-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)NC(N)=O)C2)C1 ZINC001147565674 781447187 /nfs/dbraw/zinc/44/71/87/781447187.db2.gz HZGRXGIDKRJKES-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566652 781447519 /nfs/dbraw/zinc/44/75/19/781447519.db2.gz PEPBAOGKCFDUGW-UHFFFAOYSA-N 1 1 322.329 -2.598 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147566652 781447522 /nfs/dbraw/zinc/44/75/22/781447522.db2.gz PEPBAOGKCFDUGW-UHFFFAOYSA-N 1 1 322.329 -2.598 20 0 DAADMO C[C@@H](CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2)NC(N)=O ZINC001147566221 781447541 /nfs/dbraw/zinc/44/75/41/781447541.db2.gz MEVDHAPKVLDJKY-WDEREUQCSA-N 1 1 323.397 -1.144 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)[nH]1 ZINC001147643996 781448681 /nfs/dbraw/zinc/44/86/81/781448681.db2.gz CPCFOSHQLVICOF-MRVPVSSYSA-N 1 1 323.357 -1.226 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)n1 ZINC001147644029 781449293 /nfs/dbraw/zinc/44/92/93/781449293.db2.gz FCKJASQQWVUFQW-UHFFFAOYSA-N 1 1 309.330 -2.085 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O)c1nnnn1C ZINC001147644788 781449551 /nfs/dbraw/zinc/44/95/51/781449551.db2.gz OAPPBFKORXFCNJ-MRVPVSSYSA-N 1 1 324.345 -2.129 20 0 DAADMO Cc1cc(C[NH2+]CCNC(=O)CN2CC(=O)N(C)C2=O)nn1C ZINC001147645396 781449593 /nfs/dbraw/zinc/44/95/93/781449593.db2.gz SPKABDWDZMODJR-UHFFFAOYSA-N 1 1 322.369 -1.172 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCNC1=O)C2 ZINC001147669645 781450270 /nfs/dbraw/zinc/45/02/70/781450270.db2.gz INGNACKUQHLQBP-SNVBAGLBSA-N 1 1 309.370 -1.662 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCNS(C)(=O)=O)C2)C1 ZINC001147665825 781450586 /nfs/dbraw/zinc/45/05/86/781450586.db2.gz SKPAZEVPDIFYQU-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147610737 781450779 /nfs/dbraw/zinc/45/07/79/781450779.db2.gz LUQCQTPYBAIHBY-SNVBAGLBSA-N 1 1 312.370 -1.843 20 0 DAADMO COCC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147610737 781450786 /nfs/dbraw/zinc/45/07/86/781450786.db2.gz LUQCQTPYBAIHBY-SNVBAGLBSA-N 1 1 312.370 -1.843 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)S(C)(=O)=O)C2)C1 ZINC001147665887 781450842 /nfs/dbraw/zinc/45/08/42/781450842.db2.gz VWHKSPOGEKBUOB-LLVKDONJSA-N 1 1 319.427 -1.207 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001147610735 781451260 /nfs/dbraw/zinc/45/12/60/781451260.db2.gz LUQCQTPYBAIHBY-JTQLQIEISA-N 1 1 312.370 -1.843 20 0 DAADMO COCC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001147610735 781451267 /nfs/dbraw/zinc/45/12/67/781451267.db2.gz LUQCQTPYBAIHBY-JTQLQIEISA-N 1 1 312.370 -1.843 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001147670714 781451312 /nfs/dbraw/zinc/45/13/12/781451312.db2.gz XRQJAVNEYUBVOI-UHFFFAOYSA-N 1 1 323.397 -1.272 20 0 DAADMO CNC(=O)NCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001147670714 781451318 /nfs/dbraw/zinc/45/13/18/781451318.db2.gz XRQJAVNEYUBVOI-UHFFFAOYSA-N 1 1 323.397 -1.272 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001147670365 781451495 /nfs/dbraw/zinc/45/14/95/781451495.db2.gz RHFWIEUZAAEMSL-JTQLQIEISA-N 1 1 311.386 -1.286 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001147657869 781451701 /nfs/dbraw/zinc/45/17/01/781451701.db2.gz FZHQYFKFHMBJQH-NSHDSACASA-N 1 1 319.427 -1.159 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH]nnc2C1)C(=O)NC(N)=O ZINC001147699101 781454999 /nfs/dbraw/zinc/45/49/99/781454999.db2.gz KHCXFPGJUTXTMO-JGVFFNPUSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2nn[nH]c2C1)C(=O)NC(N)=O ZINC001147699101 781455002 /nfs/dbraw/zinc/45/50/02/781455002.db2.gz KHCXFPGJUTXTMO-JGVFFNPUSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH]nnc2C1)C(=O)NC(N)=O ZINC001147699102 781455901 /nfs/dbraw/zinc/45/59/01/781455901.db2.gz KHCXFPGJUTXTMO-SFYZADRCSA-N 1 1 323.357 -1.801 20 0 DAADMO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2nn[nH]c2C1)C(=O)NC(N)=O ZINC001147699102 781455906 /nfs/dbraw/zinc/45/59/06/781455906.db2.gz KHCXFPGJUTXTMO-SFYZADRCSA-N 1 1 323.357 -1.801 20 0 DAADMO Cc1nnc(CC(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)[nH]1 ZINC001091662056 781457247 /nfs/dbraw/zinc/45/72/47/781457247.db2.gz TYEWVYHLSMPMIK-YGRLFVJLSA-N 1 1 306.370 -1.079 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001147794068 781458578 /nfs/dbraw/zinc/45/85/78/781458578.db2.gz ZVEYOAXDMJDNTB-UHFFFAOYSA-N 1 1 320.411 -1.426 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147794068 781458587 /nfs/dbraw/zinc/45/85/87/781458587.db2.gz ZVEYOAXDMJDNTB-UHFFFAOYSA-N 1 1 320.411 -1.426 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147852213 781458654 /nfs/dbraw/zinc/45/86/54/781458654.db2.gz XBKCMBWCARKAAJ-QMMMGPOBSA-N 1 1 318.324 -1.224 20 0 DAADMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147846809 781458811 /nfs/dbraw/zinc/45/88/11/781458811.db2.gz KZBJYZOUMBGULM-UHFFFAOYSA-N 1 1 304.297 -1.613 20 0 DAADMO NC(=O)C[N@H+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001147846809 781458815 /nfs/dbraw/zinc/45/88/15/781458815.db2.gz KZBJYZOUMBGULM-UHFFFAOYSA-N 1 1 304.297 -1.613 20 0 DAADMO C[NH+](C)CCOCC(=O)NCCNCC(=O)Nc1ccon1 ZINC001147893784 781458821 /nfs/dbraw/zinc/45/88/21/781458821.db2.gz SWIPWQAPJXXUDF-UHFFFAOYSA-N 1 1 313.358 -1.103 20 0 DAADMO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)N1CCNC(=O)C1 ZINC001147977029 781460245 /nfs/dbraw/zinc/46/02/45/781460245.db2.gz GREUMDMFNAFPKO-UHFFFAOYSA-N 1 1 323.397 -2.254 20 0 DAADMO CC(C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cnc[nH]1 ZINC001147908465 781461337 /nfs/dbraw/zinc/46/13/37/781461337.db2.gz VILQOESMVHDDKQ-UHFFFAOYSA-N 1 1 322.369 -1.055 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148053579 781462348 /nfs/dbraw/zinc/46/23/48/781462348.db2.gz UVSFSJXCCZXZBJ-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3nnn(C)n3)C2)C1 ZINC001148053579 781462354 /nfs/dbraw/zinc/46/23/54/781462354.db2.gz UVSFSJXCCZXZBJ-UHFFFAOYSA-N 1 1 321.385 -1.117 20 0 DAADMO COc1cc[nH]c(=O)c1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001148026627 781462589 /nfs/dbraw/zinc/46/25/89/781462589.db2.gz IFAKEQXLGVLAKN-UHFFFAOYSA-N 1 1 307.314 -1.161 20 0 DAADMO CCC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)S(N)(=O)=O ZINC001147985469 781463417 /nfs/dbraw/zinc/46/34/17/781463417.db2.gz IDZQVHFSJOMALV-NSHDSACASA-N 1 1 319.427 -1.030 20 0 DAADMO CN(C)c1ccncc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148051489 781463431 /nfs/dbraw/zinc/46/34/31/781463431.db2.gz LCRMILJSGPLILS-UHFFFAOYSA-N 1 1 308.342 -1.338 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167167 781464646 /nfs/dbraw/zinc/46/46/46/781464646.db2.gz ATBDOKVPWWAQJR-LLVKDONJSA-N 1 1 323.397 -1.273 20 0 DAADMO CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001148167167 781464653 /nfs/dbraw/zinc/46/46/53/781464653.db2.gz ATBDOKVPWWAQJR-LLVKDONJSA-N 1 1 323.397 -1.273 20 0 DAADMO CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001091675514 781465120 /nfs/dbraw/zinc/46/51/20/781465120.db2.gz YDPGRUGMYJLVLA-WDMOLILDSA-N 1 1 321.385 -1.412 20 0 DAADMO CN(CC[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)S(C)(=O)=O ZINC001148199606 781465554 /nfs/dbraw/zinc/46/55/54/781465554.db2.gz LTZBPCRXZGIXHN-UHFFFAOYSA-N 1 1 318.399 -2.103 20 0 DAADMO COCCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199284 781465622 /nfs/dbraw/zinc/46/56/22/781465622.db2.gz BZWRCZSEWZBMLI-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO COCCCNC(=O)C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199284 781465628 /nfs/dbraw/zinc/46/56/28/781465628.db2.gz BZWRCZSEWZBMLI-UHFFFAOYSA-N 1 1 312.370 -1.841 20 0 DAADMO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148174214 781466313 /nfs/dbraw/zinc/46/63/13/781466313.db2.gz DKNJFXVFCBYLII-NSHDSACASA-N 1 1 311.382 -1.207 20 0 DAADMO CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148180985 781466417 /nfs/dbraw/zinc/46/64/17/781466417.db2.gz GIOZJUCEPGYAQP-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001148180985 781466420 /nfs/dbraw/zinc/46/64/20/781466420.db2.gz GIOZJUCEPGYAQP-UHFFFAOYSA-N 1 1 308.382 -1.078 20 0 DAADMO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148187838 781466958 /nfs/dbraw/zinc/46/69/58/781466958.db2.gz CCJRWNLWBXWWQN-LLVKDONJSA-N 1 1 319.427 -1.030 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCCS(N)(=O)=O)C2)C1 ZINC001148187839 781466891 /nfs/dbraw/zinc/46/68/91/781466891.db2.gz CCJRWNLWBXWWQN-NSHDSACASA-N 1 1 319.427 -1.030 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC001148226865 781467140 /nfs/dbraw/zinc/46/71/40/781467140.db2.gz VZTHRJBACVAIAP-UHFFFAOYSA-N 1 1 324.316 -1.108 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3n[nH]cc3F)C2)C1 ZINC001148226865 781467144 /nfs/dbraw/zinc/46/71/44/781467144.db2.gz VZTHRJBACVAIAP-UHFFFAOYSA-N 1 1 324.316 -1.108 20 0 DAADMO C[C@@H](C[N@H+]1CCC2(CN(C(=O)C(N)=O)C2)C1)CS(C)(=O)=O ZINC001148181343 781467288 /nfs/dbraw/zinc/46/72/88/781467288.db2.gz OLAUETIAGALROC-JTQLQIEISA-N 1 1 317.411 -1.313 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148298861 781468116 /nfs/dbraw/zinc/46/81/16/781468116.db2.gz VQTRMFKIWKAEEN-BDAKNGLRSA-N 1 1 323.353 -2.163 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001148298861 781468124 /nfs/dbraw/zinc/46/81/24/781468124.db2.gz VQTRMFKIWKAEEN-BDAKNGLRSA-N 1 1 323.353 -2.163 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccnnc3)C2)C1 ZINC001148335549 781468398 /nfs/dbraw/zinc/46/83/98/781468398.db2.gz ZDYIKFNALYKPSY-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccnnc3)C2)C1 ZINC001148335549 781468401 /nfs/dbraw/zinc/46/84/01/781468401.db2.gz ZDYIKFNALYKPSY-UHFFFAOYSA-N 1 1 318.337 -1.181 20 0 DAADMO Cn1cc(C[N@@H+]2CCCO[C@H](CNC(=O)CNC(N)=O)C2)cn1 ZINC001149126092 781468449 /nfs/dbraw/zinc/46/84/49/781468449.db2.gz YWFSQPGLIDVTAT-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO Cn1cc(C[N@H+]2CCCO[C@H](CNC(=O)CNC(N)=O)C2)cn1 ZINC001149126092 781468456 /nfs/dbraw/zinc/46/84/56/781468456.db2.gz YWFSQPGLIDVTAT-GFCCVEGCSA-N 1 1 324.385 -1.205 20 0 DAADMO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001091703740 781468668 /nfs/dbraw/zinc/46/86/68/781468668.db2.gz PEKVKMWJKLEXQX-WDMOLILDSA-N 1 1 306.370 -1.068 20 0 DAADMO CN1C[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)CC1=O ZINC001091714933 781469968 /nfs/dbraw/zinc/46/99/68/781469968.db2.gz NUJZXEFMCDHMFI-HFAKWTLXSA-N 1 1 308.382 -1.270 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099894474 781470802 /nfs/dbraw/zinc/47/08/02/781470802.db2.gz LJWPWUIBZDJUIZ-QWRGUYRKSA-N 1 1 308.400 -1.645 20 0 DAADMO CS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099894474 781470805 /nfs/dbraw/zinc/47/08/05/781470805.db2.gz LJWPWUIBZDJUIZ-QWRGUYRKSA-N 1 1 308.400 -1.645 20 0 DAADMO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001148352043 781470945 /nfs/dbraw/zinc/47/09/45/781470945.db2.gz YQESPFQCNGDYJS-QWRGUYRKSA-N 1 1 319.427 -1.161 20 0 DAADMO CC(=O)N1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001148437236 781472518 /nfs/dbraw/zinc/47/25/18/781472518.db2.gz LQZAAYUVPNBZHQ-ONGXEEELSA-N 1 1 309.374 -1.012 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148458138 781472577 /nfs/dbraw/zinc/47/25/77/781472577.db2.gz KUQFXWKIFZEITC-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148458138 781472581 /nfs/dbraw/zinc/47/25/81/781472581.db2.gz KUQFXWKIFZEITC-UHFFFAOYSA-N 1 1 321.341 -1.592 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148524356 781473765 /nfs/dbraw/zinc/47/37/65/781473765.db2.gz IZXZYHUOTMUQHL-UHFFFAOYSA-N 1 1 322.369 -1.649 20 0 DAADMO Cn1ncnc1COCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148524356 781473766 /nfs/dbraw/zinc/47/37/66/781473766.db2.gz IZXZYHUOTMUQHL-UHFFFAOYSA-N 1 1 322.369 -1.649 20 0 DAADMO CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099894692 781473814 /nfs/dbraw/zinc/47/38/14/781473814.db2.gz OSVNRJDJEHAGIR-GHMZBOCLSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001148524927 781473830 /nfs/dbraw/zinc/47/38/30/781473830.db2.gz WKFWUWJYLWOOBD-SNVBAGLBSA-N 1 1 308.382 -1.079 20 0 DAADMO CC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099894694 781474800 /nfs/dbraw/zinc/47/48/00/781474800.db2.gz OSVNRJDJEHAGIR-QWRGUYRKSA-N 1 1 300.359 -2.190 20 0 DAADMO C[C@]12CN(C(=O)C[C@H]3CCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091734467 781476382 /nfs/dbraw/zinc/47/63/82/781476382.db2.gz VKVKBPPXZMQWML-HFAKWTLXSA-N 1 1 308.382 -1.222 20 0 DAADMO C[NH+](C)CCOCC(=O)N1CC2(C1)CCN([C@@H]1CCNC1=O)C2 ZINC001148605763 781476508 /nfs/dbraw/zinc/47/65/08/781476508.db2.gz UQWQWQDCCHOWKJ-CYBMUJFWSA-N 1 1 324.425 -1.013 20 0 DAADMO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148721008 781477709 /nfs/dbraw/zinc/47/77/09/781477709.db2.gz UZKONCCUEZTHHO-GFCCVEGCSA-N 1 1 309.370 -1.180 20 0 DAADMO O=C(CCCN1C(=O)CNC1=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148726886 781478153 /nfs/dbraw/zinc/47/81/53/781478153.db2.gz WNPJQNITXHVQED-UHFFFAOYSA-N 1 1 324.381 -1.155 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(N)=O)C2 ZINC001148783452 781478396 /nfs/dbraw/zinc/47/83/96/781478396.db2.gz GULZPTLRDQGSOK-VIFPVBQESA-N 1 1 318.399 -2.056 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148827982 781478877 /nfs/dbraw/zinc/47/88/77/781478877.db2.gz UUHKCPARBVUGKS-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CNC(=O)NC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148827982 781478892 /nfs/dbraw/zinc/47/88/92/781478892.db2.gz UUHKCPARBVUGKS-UHFFFAOYSA-N 1 1 311.386 -1.286 20 0 DAADMO CN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)CCNC(N)=O)C3)C2)C1=O ZINC001148748145 781479389 /nfs/dbraw/zinc/47/93/89/781479389.db2.gz KDXIMPUDOQDUSE-LLVKDONJSA-N 1 1 323.397 -1.190 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CCCNC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091759806 781480754 /nfs/dbraw/zinc/48/07/54/781480754.db2.gz LSADTXNWZIRSNE-ZETOZRRWSA-N 1 1 308.382 -1.222 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148949991 781481206 /nfs/dbraw/zinc/48/12/06/781481206.db2.gz GCVRASXIPNHTDD-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO COCC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)CCCO1 ZINC001148949991 781481214 /nfs/dbraw/zinc/48/12/14/781481214.db2.gz GCVRASXIPNHTDD-NXEZZACHSA-N 1 1 316.358 -1.577 20 0 DAADMO CCO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087078122 781483978 /nfs/dbraw/zinc/48/39/78/781483978.db2.gz HBQUAYBVAWHDQQ-RKDXNWHRSA-N 1 1 311.346 -2.352 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001099899316 781484056 /nfs/dbraw/zinc/48/40/56/781484056.db2.gz QOEKQZJLGJACPH-WDEREUQCSA-N 1 1 300.403 -1.247 20 0 DAADMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001099899313 781484449 /nfs/dbraw/zinc/48/44/49/781484449.db2.gz QOEKQZJLGJACPH-GHMZBOCLSA-N 1 1 300.403 -1.247 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCNC3=O)C[C@]2(C)C1 ZINC001091911152 781485957 /nfs/dbraw/zinc/48/59/57/781485957.db2.gz RAGVKTYBRKCGMU-WQGACYEGSA-N 1 1 322.409 -1.009 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC001091910785 781485991 /nfs/dbraw/zinc/48/59/91/781485991.db2.gz HRDZTRRLVAVLTL-HFAKWTLXSA-N 1 1 308.382 -1.351 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)c1=O ZINC001091804093 781486297 /nfs/dbraw/zinc/48/62/97/781486297.db2.gz SRJQUUVFWHGRBA-DOMZBBRYSA-N 1 1 323.397 -1.256 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099905569 781486360 /nfs/dbraw/zinc/48/63/60/781486360.db2.gz ANPOMQGTXZDZJR-WCQYABFASA-N 1 1 312.370 -1.406 20 0 DAADMO Cn1cnn(CC(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)c1=O ZINC001091804290 781486748 /nfs/dbraw/zinc/48/67/48/781486748.db2.gz YGLHDDWIJBSKOG-YGRLFVJLSA-N 1 1 322.369 -2.153 20 0 DAADMO CCN1CCOC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091801113 781487057 /nfs/dbraw/zinc/48/70/57/781487057.db2.gz BNAXYVOGNKYZOY-WWGRRREGSA-N 1 1 324.425 -1.027 20 0 DAADMO C[C@]12CN(C(=O)CN3CCNC(=O)C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091912776 781487071 /nfs/dbraw/zinc/48/70/71/781487071.db2.gz JFMQOIIWWJAYQC-ABAIWWIYSA-N 1 1 323.397 -2.316 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 ZINC001091804317 781487215 /nfs/dbraw/zinc/48/72/15/781487215.db2.gz ZSBLZWFXGPSOHJ-JMSVASOKSA-N 1 1 323.397 -1.257 20 0 DAADMO CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@]2(C)C1 ZINC001091929282 781487313 /nfs/dbraw/zinc/48/73/13/781487313.db2.gz GMFMIIMKKPRWCR-RULNRJAQSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 ZINC001091912696 781487421 /nfs/dbraw/zinc/48/74/21/781487421.db2.gz HQURXANBTUGTPX-IOASZLSFSA-N 1 1 324.425 -1.421 20 0 DAADMO C[C@]12CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092093380 781488504 /nfs/dbraw/zinc/48/85/04/781488504.db2.gz SPRLFBSFGPCLSA-ZETOZRRWSA-N 1 1 308.382 -1.079 20 0 DAADMO CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C(N)=O)C[C@]3(C)C2)C1=O ZINC001091970572 781488515 /nfs/dbraw/zinc/48/85/15/781488515.db2.gz SWTOYAVFPVMTSD-ZETOZRRWSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)CN3CC(=O)NC3=O)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092106798 781488526 /nfs/dbraw/zinc/48/85/26/781488526.db2.gz VCCJMVYLQZZXQD-OTYXRUKQSA-N 1 1 323.353 -2.196 20 0 DAADMO C[C@]12CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092096874 781488571 /nfs/dbraw/zinc/48/85/71/781488571.db2.gz HNMVMRUZNCFFKV-ABAIWWIYSA-N 1 1 309.366 -1.188 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001091970705 781488613 /nfs/dbraw/zinc/48/86/13/781488613.db2.gz ZLBXSTIIEOKVEM-ITMYJUKJSA-N 1 1 308.338 -1.943 20 0 DAADMO C[C@]12CN(C(=O)C(N)=O)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091971762 781488619 /nfs/dbraw/zinc/48/86/19/781488619.db2.gz LYHIJECYGHUBLF-ABAIWWIYSA-N 1 1 308.382 -1.126 20 0 DAADMO CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091944738 781488759 /nfs/dbraw/zinc/48/87/59/781488759.db2.gz ACTDHVFZAZXISN-HFAKWTLXSA-N 1 1 308.382 -1.127 20 0 DAADMO C[C@]12CN(C(=O)C3(C(N)=O)CC3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091970776 781488873 /nfs/dbraw/zinc/48/88/73/781488873.db2.gz BTIOWOAHZIEWNQ-ZETOZRRWSA-N 1 1 320.393 -1.079 20 0 DAADMO C[C@]12CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092010155 781489384 /nfs/dbraw/zinc/48/93/84/781489384.db2.gz RRICJTPWWGUWGJ-ZAZJYDDPSA-N 1 1 311.382 -1.208 20 0 DAADMO C[C@]12CN(C(=O)CN3CC(=O)NC3=O)C[C@H]1C[N@@H+](CCO)C2 ZINC001092102886 781489704 /nfs/dbraw/zinc/48/97/04/781489704.db2.gz DSUPMHVNBLCMAU-YGRLFVJLSA-N 1 1 310.354 -1.689 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cnnn3)C[C@]2(C)C1 ZINC001092129227 781490354 /nfs/dbraw/zinc/49/03/54/781490354.db2.gz HFVCZGCUWOOAJL-RISCZKNCSA-N 1 1 321.385 -1.411 20 0 DAADMO C[C@]12CN(C(=O)CCn3cnnn3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092129011 781490728 /nfs/dbraw/zinc/49/07/28/781490728.db2.gz CLQDCEDBMPNNPU-MFKMUULPSA-N 1 1 307.358 -1.671 20 0 DAADMO Cc1cc(N2CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001092147240 781491904 /nfs/dbraw/zinc/49/19/04/781491904.db2.gz BSXXUZSROBGYJW-MNOVXSKESA-N 1 1 322.369 -1.182 20 0 DAADMO Cc1cc(N2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)nc(C)[nH+]1 ZINC001092147241 781492503 /nfs/dbraw/zinc/49/25/03/781492503.db2.gz BSXXUZSROBGYJW-QWRGUYRKSA-N 1 1 322.369 -1.182 20 0 DAADMO CN1C(=O)CN(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1=O ZINC001092196079 781495735 /nfs/dbraw/zinc/49/57/35/781495735.db2.gz GWQNSPCMVAQCMK-ABAIWWIYSA-N 1 1 324.381 -1.347 20 0 DAADMO Cc1nn(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)c(=O)n1C ZINC001092242174 781495763 /nfs/dbraw/zinc/49/57/63/781495763.db2.gz GINFSHGZKPBLKY-DOMZBBRYSA-N 1 1 323.397 -1.337 20 0 DAADMO O=C(N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1COCCO1 ZINC001092353512 781495800 /nfs/dbraw/zinc/49/58/00/781495800.db2.gz XYWAKSSIORVIHF-NEPJUHHUSA-N 1 1 322.365 -1.137 20 0 DAADMO O=C(Cn1cnnn1)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092348292 781496923 /nfs/dbraw/zinc/49/69/23/781496923.db2.gz SRPRQVHBQABCEL-JTQLQIEISA-N 1 1 318.341 -1.866 20 0 DAADMO COCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001149623144 781496959 /nfs/dbraw/zinc/49/69/59/781496959.db2.gz INWJSUQSSWXAAN-WDEREUQCSA-N 1 1 302.375 -1.103 20 0 DAADMO O=C(CCN1C(=O)CCC1=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099909739 781497082 /nfs/dbraw/zinc/49/70/82/781497082.db2.gz WXHHMHIEEJECHZ-QWRGUYRKSA-N 1 1 313.354 -1.931 20 0 DAADMO O=C(N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21)[C@@H]1CCNC1=O ZINC001092384466 781497772 /nfs/dbraw/zinc/49/77/72/781497772.db2.gz IPUQYFSHRTWETO-MNOVXSKESA-N 1 1 319.365 -1.417 20 0 DAADMO COC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001092392351 781497839 /nfs/dbraw/zinc/49/78/39/781497839.db2.gz FGPUUSAFPPGBIB-ZJUUUORDSA-N 1 1 307.354 -1.025 20 0 DAADMO Cn1cnc(C(=O)N[C@@H]2CC3(C[NH+](CCO)C3)n3ccnc32)n1 ZINC001092365692 781498001 /nfs/dbraw/zinc/49/80/01/781498001.db2.gz KIIBTXNMTJPXEC-SNVBAGLBSA-N 1 1 317.353 -1.110 20 0 DAADMO O=C(Cn1ncnn1)N[C@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092370494 781498469 /nfs/dbraw/zinc/49/84/69/781498469.db2.gz OUKSQNBJDZCYDZ-JTQLQIEISA-N 1 1 318.341 -1.866 20 0 DAADMO COC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)c1nccn12 ZINC001092392348 781498593 /nfs/dbraw/zinc/49/85/93/781498593.db2.gz FGPUUSAFPPGBIB-NXEZZACHSA-N 1 1 307.354 -1.025 20 0 DAADMO O=C(Cn1nccn1)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092372137 781498864 /nfs/dbraw/zinc/49/88/64/781498864.db2.gz HJWDVTRNKDCFLR-LLVKDONJSA-N 1 1 317.353 -1.261 20 0 DAADMO O=C(Cn1cncn1)N[C@@H]1CC2(C[NH+](CCO)C2)n2ccnc21 ZINC001092410623 781500238 /nfs/dbraw/zinc/50/02/38/781500238.db2.gz MTRLJDATKFVHIY-LLVKDONJSA-N 1 1 317.353 -1.261 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)[C@H](C)C1 ZINC001092886473 781502363 /nfs/dbraw/zinc/50/23/63/781502363.db2.gz TXSDWNLALOZUHK-GMTAPVOTSA-N 1 1 311.386 -1.560 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC001092893052 781502611 /nfs/dbraw/zinc/50/26/11/781502611.db2.gz KCGNPUWKLWBKBO-OUAUKWLOSA-N 1 1 323.401 -1.016 20 0 DAADMO C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1nnn(C)n1 ZINC001092893440 781503296 /nfs/dbraw/zinc/50/32/96/781503296.db2.gz SHFUBGWFVCQCPH-MXWKQRLJSA-N 1 1 321.385 -1.262 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001092883887 781503626 /nfs/dbraw/zinc/50/36/26/781503626.db2.gz OQWLHZFBMJEDMS-UTUOFQBUSA-N 1 1 310.398 -1.105 20 0 DAADMO C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092929364 781504689 /nfs/dbraw/zinc/50/46/89/781504689.db2.gz UBEOCERCGGOKGY-CKYFFXLPSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092929364 781504694 /nfs/dbraw/zinc/50/46/94/781504694.db2.gz UBEOCERCGGOKGY-CKYFFXLPSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001093011784 781505048 /nfs/dbraw/zinc/50/50/48/781505048.db2.gz LHLJZKWFZPOEJZ-HLTSFMKQSA-N 1 1 311.342 -2.246 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001093053524 781505152 /nfs/dbraw/zinc/50/51/52/781505152.db2.gz YBMVSHJDBVPWCL-PSASIEDQSA-N 1 1 310.354 -1.791 20 0 DAADMO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001093016575 781505238 /nfs/dbraw/zinc/50/52/38/781505238.db2.gz GMWDIKMBXVPXTC-GHMZBOCLSA-N 1 1 324.381 -1.626 20 0 DAADMO C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928065 781505268 /nfs/dbraw/zinc/50/52/68/781505268.db2.gz JEDYPLRFRKLPEJ-GMTAPVOTSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001092928065 781505272 /nfs/dbraw/zinc/50/52/72/781505272.db2.gz JEDYPLRFRKLPEJ-GMTAPVOTSA-N 1 1 321.385 -1.319 20 0 DAADMO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001092927947 781505558 /nfs/dbraw/zinc/50/55/58/781505558.db2.gz GMGDXTKGUGWDSP-MXWKQRLJSA-N 1 1 311.386 -1.560 20 0 DAADMO COCC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001098351425 781505804 /nfs/dbraw/zinc/50/58/04/781505804.db2.gz PNLWNHVVCRRJCL-NSHDSACASA-N 1 1 316.402 -1.025 20 0 DAADMO CCOCC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001099923476 781506480 /nfs/dbraw/zinc/50/64/80/781506480.db2.gz DXGZTKAMTSFHIU-WCQYABFASA-N 1 1 324.381 -1.018 20 0 DAADMO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110140949 781506578 /nfs/dbraw/zinc/50/65/78/781506578.db2.gz WOELKOWLGZNQOL-WOPDTQHZSA-N 1 1 319.427 -1.018 20 0 DAADMO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001093203394 781506886 /nfs/dbraw/zinc/50/68/86/781506886.db2.gz ONHCWLKWAACEMP-BXKDBHETSA-N 1 1 319.365 -1.037 20 0 DAADMO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203187 781507437 /nfs/dbraw/zinc/50/74/37/781507437.db2.gz KBADMZFDNVVYJH-UTUOFQBUSA-N 1 1 319.427 -1.255 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)n2C)[C@H](C)C1 ZINC001093231119 781508074 /nfs/dbraw/zinc/50/80/74/781508074.db2.gz GRRMJGHUOJUFBA-GHMZBOCLSA-N 1 1 323.397 -1.233 20 0 DAADMO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 ZINC001093224304 781508220 /nfs/dbraw/zinc/50/82/20/781508220.db2.gz PSWOMAWUNINIQL-GMTAPVOTSA-N 1 1 324.385 -1.558 20 0 DAADMO NC(=O)C[N@@H+](CCO)C1CCN(C(=O)c2cncnc2)CC1 ZINC001098352104 781511231 /nfs/dbraw/zinc/51/12/31/781511231.db2.gz AILFPUDWYQFZFW-UHFFFAOYSA-N 1 1 307.354 -1.139 20 0 DAADMO C[C@H](O)C[NH+]1CC(OC2CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC001093536661 781513982 /nfs/dbraw/zinc/51/39/82/781513982.db2.gz NPSSNPRGEJGJEZ-NSHDSACASA-N 1 1 324.385 -1.254 20 0 DAADMO C[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093543552 781514091 /nfs/dbraw/zinc/51/40/91/781514091.db2.gz HCNPGXWEEXCVKD-SECBINFHSA-N 1 1 306.330 -1.622 20 0 DAADMO C[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc3nnnn3n2)C1 ZINC001093543552 781514096 /nfs/dbraw/zinc/51/40/96/781514096.db2.gz HCNPGXWEEXCVKD-SECBINFHSA-N 1 1 306.330 -1.622 20 0 DAADMO O=C(Cn1ncnn1)N1CCC(OC2C[NH+](CCCO)C2)CC1 ZINC001093536890 781514525 /nfs/dbraw/zinc/51/45/25/781514525.db2.gz VYNAVJGYXLBZTK-UHFFFAOYSA-N 1 1 324.385 -1.253 20 0 DAADMO CCS(=O)(=O)NCC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149804561 781524369 /nfs/dbraw/zinc/52/43/69/781524369.db2.gz RAVGPHRZXZGHSR-NSHDSACASA-N 1 1 323.415 -1.875 20 0 DAADMO C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093964365 781525197 /nfs/dbraw/zinc/52/51/97/781525197.db2.gz UPCAHAGLLQTGGB-GMTAPVOTSA-N 1 1 321.385 -1.470 20 0 DAADMO O=C(NCc1cn(C2C[NH+](CCCO)C2)nn1)[C@H]1CCC(=O)N1 ZINC001094279628 781536824 /nfs/dbraw/zinc/53/68/24/781536824.db2.gz OTWBDOWEJACEKS-GFCCVEGCSA-N 1 1 322.369 -1.588 20 0 DAADMO CCC[NH+]1CC(n2cc(CNC(=O)c3nnn(C)n3)nn2)C1 ZINC001094310753 781537891 /nfs/dbraw/zinc/53/78/91/781537891.db2.gz QASPBFZBRFBFBQ-UHFFFAOYSA-N 1 1 305.346 -1.002 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CN(C)C(=O)N3)nn2)C1 ZINC001094311262 781538441 /nfs/dbraw/zinc/53/84/41/781538441.db2.gz TXPVYSKSUYOEEY-NSHDSACASA-N 1 1 307.358 -1.206 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001094315595 781538735 /nfs/dbraw/zinc/53/87/35/781538735.db2.gz UHDKEWNEKGALGD-KWQFWETISA-N 1 1 323.357 -2.187 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cn(C2C[NH+](CCCO)C2)nn1 ZINC001094318926 781539645 /nfs/dbraw/zinc/53/96/45/781539645.db2.gz FWRKOKXGPITIHZ-NEPJUHHUSA-N 1 1 322.369 -1.745 20 0 DAADMO C[C@H](O)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC001094287167 781539916 /nfs/dbraw/zinc/53/99/16/781539916.db2.gz DUFVRTRFJCRDIU-KWQFWETISA-N 1 1 324.341 -1.760 20 0 DAADMO C[C@@H](O)C[NH+]1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC001094288225 781540460 /nfs/dbraw/zinc/54/04/60/781540460.db2.gz JQQIHAVFKIPPNC-SECBINFHSA-N 1 1 320.357 -1.426 20 0 DAADMO CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)nn2)C1 ZINC001094324619 781544047 /nfs/dbraw/zinc/54/40/47/781544047.db2.gz YNLZUKVAZKSHNY-JTQLQIEISA-N 1 1 321.341 -1.631 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3nnn(C)n3)CCC[C@@H]12 ZINC001094493424 781544363 /nfs/dbraw/zinc/54/43/63/781544363.db2.gz SOSBVAWCBPMWKV-QMTHXVAHSA-N 1 1 321.385 -1.070 20 0 DAADMO CC(C)(O)CC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098354819 781544744 /nfs/dbraw/zinc/54/47/44/781544744.db2.gz KSRXOKFYYMQSPX-UHFFFAOYSA-N 1 1 301.387 -1.082 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12 ZINC001094513069 781545029 /nfs/dbraw/zinc/54/50/29/781545029.db2.gz FOVJVAMYWFCSCK-JNIYBQFBSA-N 1 1 308.382 -1.046 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)c1=O ZINC001099934768 781545203 /nfs/dbraw/zinc/54/52/03/781545203.db2.gz BYFGOIFZZDUUIN-MNOVXSKESA-N 1 1 313.358 -2.484 20 0 DAADMO NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001094502108 781545288 /nfs/dbraw/zinc/54/52/88/781545288.db2.gz STWWJKXXBUISPF-GPCCPHFNSA-N 1 1 309.370 -1.486 20 0 DAADMO CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CNC(=O)N3)CCC[C@@H]12 ZINC001094501191 781545605 /nfs/dbraw/zinc/54/56/05/781545605.db2.gz IJYKRNBDUGWLTD-FIXISWKDSA-N 1 1 323.397 -1.225 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)c1=O ZINC001099935996 781548147 /nfs/dbraw/zinc/54/81/47/781548147.db2.gz YBBHDLYCDNFWOA-MNOVXSKESA-N 1 1 315.349 -1.507 20 0 DAADMO Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)c1=O ZINC001099935996 781548156 /nfs/dbraw/zinc/54/81/56/781548156.db2.gz YBBHDLYCDNFWOA-MNOVXSKESA-N 1 1 315.349 -1.507 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3ccn[nH]3)CC2=O)C1 ZINC001094709906 781550639 /nfs/dbraw/zinc/55/06/39/781550639.db2.gz PMJIQPWEXFIOKR-ZJUUUORDSA-N 1 1 307.354 -1.195 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccn[nH]1 ZINC001094709441 781550882 /nfs/dbraw/zinc/55/08/82/781550882.db2.gz LCBAASHDVQNEGU-SNVBAGLBSA-N 1 1 307.354 -1.193 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)CC2=O)C1 ZINC001094715428 781552156 /nfs/dbraw/zinc/55/21/56/781552156.db2.gz LTHNQBJSTOPIRS-AAEUAGOBSA-N 1 1 310.398 -1.262 20 0 DAADMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCCO)C2)C1 ZINC001094713842 781552492 /nfs/dbraw/zinc/55/24/92/781552492.db2.gz JVOITRADMBXGNL-OCCSQVGLSA-N 1 1 324.425 -1.136 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094714510 781552695 /nfs/dbraw/zinc/55/26/95/781552695.db2.gz XVDHJPHAGYPVJS-WCQYABFASA-N 1 1 310.398 -1.526 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 ZINC001094713758 781552817 /nfs/dbraw/zinc/55/28/17/781552817.db2.gz HDCPFYGIFNMBGZ-ZYHUDNBSSA-N 1 1 322.365 -1.001 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCOC1 ZINC001094713971 781552998 /nfs/dbraw/zinc/55/29/98/781552998.db2.gz NBDYWJMLBFVANE-NEPJUHHUSA-N 1 1 311.382 -1.193 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCOC1 ZINC001094713972 781553321 /nfs/dbraw/zinc/55/33/21/781553321.db2.gz NBDYWJMLBFVANE-NWDGAFQWSA-N 1 1 311.382 -1.193 20 0 DAADMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094714509 781553438 /nfs/dbraw/zinc/55/34/38/781553438.db2.gz XVDHJPHAGYPVJS-DGCLKSJQSA-N 1 1 310.398 -1.526 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@H]1CCC(=O)N1 ZINC001094718041 781554482 /nfs/dbraw/zinc/55/44/82/781554482.db2.gz SYKDUOGUGSSRHM-ZYHUDNBSSA-N 1 1 324.381 -1.951 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1cnccn1 ZINC001094698511 781556774 /nfs/dbraw/zinc/55/67/74/781556774.db2.gz FBXLNAZSVCJENN-LLVKDONJSA-N 1 1 319.365 -1.126 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700004 781556912 /nfs/dbraw/zinc/55/69/12/781556912.db2.gz AVVIMWMDELIZAR-UWVGGRQHSA-N 1 1 323.357 -2.545 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094701402 781557498 /nfs/dbraw/zinc/55/74/98/781557498.db2.gz OFFZFZPZHLRXHT-SNVBAGLBSA-N 1 1 307.358 -1.517 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCCO1 ZINC001094700156 781557890 /nfs/dbraw/zinc/55/78/90/781557890.db2.gz BYWAAXOIYZPFBV-YPMHNXCESA-N 1 1 311.382 -1.051 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 ZINC001094698504 781557948 /nfs/dbraw/zinc/55/79/48/781557948.db2.gz DXRVVAHZSLPMGD-WDEREUQCSA-N 1 1 319.365 -1.128 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)Cn3cnnn3)CC2=O)C1 ZINC001094700534 781557974 /nfs/dbraw/zinc/55/79/74/781557974.db2.gz DTKQLOMKQWWFEY-SNVBAGLBSA-N 1 1 307.358 -1.516 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094702523 781559010 /nfs/dbraw/zinc/55/90/10/781559010.db2.gz BJPPPYVTSFAXOP-ZYHUDNBSSA-N 1 1 321.381 -1.184 20 0 DAADMO O=C(Cn1cccn1)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094704921 781559092 /nfs/dbraw/zinc/55/90/92/781559092.db2.gz FWMQZQPKTQYGOI-LBPRGKRZSA-N 1 1 321.381 -1.333 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3COCCN3C)CC2=O)C1 ZINC001094722902 781560276 /nfs/dbraw/zinc/56/02/76/781560276.db2.gz YSXGSYMZIPEGAX-YPMHNXCESA-N 1 1 310.398 -1.262 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3COCCN3C)CC2=O)C1 ZINC001094722897 781560507 /nfs/dbraw/zinc/56/05/07/781560507.db2.gz YSXGSYMZIPEGAX-DGCLKSJQSA-N 1 1 310.398 -1.262 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CN=NC3=O)CC2=O)C1 ZINC001094726971 781561445 /nfs/dbraw/zinc/56/14/45/781561445.db2.gz GXKSQYRMLAYWOT-SECBINFHSA-N 1 1 308.342 -1.595 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 ZINC001094729617 781561706 /nfs/dbraw/zinc/56/17/06/781561706.db2.gz HFQYZRROWCEPIA-ZJUUUORDSA-N 1 1 322.369 -1.789 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730038 781562025 /nfs/dbraw/zinc/56/20/25/781562025.db2.gz QBOMZKSQRIWARD-ONGXEEELSA-N 1 1 310.354 -1.096 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2=O)C1 ZINC001094730207 781562346 /nfs/dbraw/zinc/56/23/46/781562346.db2.gz UVNOXAZQDPNCFM-GXSJLCMTSA-N 1 1 310.354 -1.094 20 0 DAADMO C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)CC[N@H+]1C ZINC001094738319 781564582 /nfs/dbraw/zinc/56/45/82/781564582.db2.gz JEDOQQKPIZPOSD-YRGRVCCFSA-N 1 1 324.425 -1.280 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3ncnn3)CC2=O)C1 ZINC001094736543 781564760 /nfs/dbraw/zinc/56/47/60/781564760.db2.gz KSOUVNXVENUOOC-NXEZZACHSA-N 1 1 323.357 -2.545 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735493 781564954 /nfs/dbraw/zinc/56/49/54/781564954.db2.gz PRQUWFSLOZJEMQ-NXEZZACHSA-N 1 1 322.369 -1.789 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)C3CS(=O)(=O)C3)CC2=O)C1 ZINC001094740121 781566139 /nfs/dbraw/zinc/56/61/39/781566139.db2.gz ISDKYTMCXYWEEJ-JTQLQIEISA-N 1 1 315.395 -1.548 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)CC2=O)C1 ZINC001094742533 781566318 /nfs/dbraw/zinc/56/63/18/781566318.db2.gz QKBRTWUQVXQHLT-MNOVXSKESA-N 1 1 308.382 -1.114 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCCNC3=O)CC2=O)C1 ZINC001094747342 781567847 /nfs/dbraw/zinc/56/78/47/781567847.db2.gz PVVURRLPZFWJCZ-CMPLNLGQSA-N 1 1 308.382 -1.066 20 0 DAADMO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094751906 781568399 /nfs/dbraw/zinc/56/83/99/781568399.db2.gz ZECFIMHZTHWAHF-GXTWGEPZSA-N 1 1 324.425 -1.136 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)CN3CCCNC3=O)CC2=O)C1 ZINC001094753315 781568429 /nfs/dbraw/zinc/56/84/29/781568429.db2.gz HORWRFBUBMNYEH-LLVKDONJSA-N 1 1 323.397 -1.177 20 0 DAADMO Cn1cncc1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094753642 781568539 /nfs/dbraw/zinc/56/85/39/781568539.db2.gz PYXUUXYEKRQLBR-NSHDSACASA-N 1 1 321.381 -1.183 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094766639 781569152 /nfs/dbraw/zinc/56/91/52/781569152.db2.gz MMHUBZZVJBFMMQ-BONVTDFDSA-N 1 1 308.382 -1.066 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094766640 781569362 /nfs/dbraw/zinc/56/93/62/781569362.db2.gz MMHUBZZVJBFMMQ-MEBBXXQBSA-N 1 1 308.382 -1.066 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)c1ccncn1 ZINC001094800025 781569851 /nfs/dbraw/zinc/56/98/51/781569851.db2.gz VYIUYNGBHSRVAR-NSHDSACASA-N 1 1 319.365 -1.126 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094756889 781569937 /nfs/dbraw/zinc/56/99/37/781569937.db2.gz MNEPGZVAFXXWDU-QWRGUYRKSA-N 1 1 308.382 -1.066 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768109 781570845 /nfs/dbraw/zinc/57/08/45/781570845.db2.gz PDXLAHZVAGZWPZ-PWSUYJOCSA-N 1 1 323.397 -1.179 20 0 DAADMO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCNC1=O ZINC001094767973 781571113 /nfs/dbraw/zinc/57/11/13/781571113.db2.gz MQXIEENZCINTMY-ZYHUDNBSSA-N 1 1 324.381 -2.094 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)CC2=O)C1 ZINC001094768110 781571170 /nfs/dbraw/zinc/57/11/70/781571170.db2.gz PDXLAHZVAGZWPZ-ZYHUDNBSSA-N 1 1 323.397 -1.179 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094772556 781571857 /nfs/dbraw/zinc/57/18/57/781571857.db2.gz XJMOVFQFSFTXIU-ZYHUDNBSSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094771906 781572368 /nfs/dbraw/zinc/57/23/68/781572368.db2.gz NIYCMTOTWGDAGL-ZYHUDNBSSA-N 1 1 308.382 -1.066 20 0 DAADMO CC(C)[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CNC(=O)N3)CC2=O)C1 ZINC001094776804 781572635 /nfs/dbraw/zinc/57/26/35/781572635.db2.gz GPNTYSZKVUXLHR-MWLCHTKSSA-N 1 1 309.370 -1.523 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094772343 781572955 /nfs/dbraw/zinc/57/29/55/781572955.db2.gz RHAXNTWZSSPOOA-OLNSGIQNSA-N 1 1 323.393 -1.339 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)c3nnn(C)n3)CC2=O)C1 ZINC001094773610 781572991 /nfs/dbraw/zinc/57/29/91/781572991.db2.gz FGRFVDYLZFKTJC-IUCAKERBSA-N 1 1 323.357 -2.394 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777887 781573607 /nfs/dbraw/zinc/57/36/07/781573607.db2.gz DWSQIOLRJGKOLH-JQWIXIFHSA-N 1 1 322.365 -1.001 20 0 DAADMO CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CNC(=O)N3)CC2=O)C1 ZINC001094777172 781573928 /nfs/dbraw/zinc/57/39/28/781573928.db2.gz PJYQYKGKLIQGDR-GXSJLCMTSA-N 1 1 309.370 -1.521 20 0 DAADMO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001094785374 781576072 /nfs/dbraw/zinc/57/60/72/781576072.db2.gz NLULGWJNFWNHDJ-WCQGTBRESA-N 1 1 324.381 -2.109 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783597 781576489 /nfs/dbraw/zinc/57/64/89/781576489.db2.gz SONVERJPOLZQLG-ZUZCIYMTSA-N 1 1 308.382 -1.066 20 0 DAADMO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094782748 781576703 /nfs/dbraw/zinc/57/67/03/781576703.db2.gz DSNZUYBPTDZJFY-STQMWFEESA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094782745 781576886 /nfs/dbraw/zinc/57/68/86/781576886.db2.gz DSNZUYBPTDZJFY-CHWSQXEVSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094782746 781577260 /nfs/dbraw/zinc/57/72/60/781577260.db2.gz DSNZUYBPTDZJFY-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)Cn3cncn3)CC2=O)C1 ZINC001094813893 781579641 /nfs/dbraw/zinc/57/96/41/781579641.db2.gz UROUISNFPJICPN-GHMZBOCLSA-N 1 1 322.369 -1.940 20 0 DAADMO C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)c3ccn(C)n3)CC2=O)C1 ZINC001094814549 781579838 /nfs/dbraw/zinc/57/98/38/781579838.db2.gz GDOZFSZIJFYWFR-GHMZBOCLSA-N 1 1 321.381 -1.184 20 0 DAADMO CC[NH+]1CC(N2C[C@H](NC(=O)C3CC(=O)NC(=O)C3)CC2=O)C1 ZINC001094795799 781580279 /nfs/dbraw/zinc/58/02/79/781580279.db2.gz ZMJUQLRZLNSDDO-SNVBAGLBSA-N 1 1 322.365 -1.540 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)CC2=O)C1 ZINC001094813255 781580345 /nfs/dbraw/zinc/58/03/45/781580345.db2.gz DHZUQPPQUINOOU-JTQLQIEISA-N 1 1 319.365 -1.185 20 0 DAADMO CC[NH+]1CC(N2C[C@@H](NC(=O)CN3C(=O)CCC3=O)CC2=O)C1 ZINC001094814982 781581156 /nfs/dbraw/zinc/58/11/56/781581156.db2.gz LEODPNNHMYAPKT-JTQLQIEISA-N 1 1 322.365 -1.443 20 0 DAADMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(C2CN(CCO)C2)C1 ZINC001094817797 781582171 /nfs/dbraw/zinc/58/21/71/781582171.db2.gz QPZWPTKAFUZEAU-GFCCVEGCSA-N 1 1 321.381 -1.415 20 0 DAADMO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)[C@@H]1CCC(=O)N1 ZINC001094809990 781583698 /nfs/dbraw/zinc/58/36/98/781583698.db2.gz SYKDUOGUGSSRHM-JQWIXIFHSA-N 1 1 324.381 -1.951 20 0 DAADMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CCO)C3)C2)C1 ZINC001094809931 781584753 /nfs/dbraw/zinc/58/47/53/781584753.db2.gz RDUKIRFUWLCUCT-OLZOCXBDSA-N 1 1 324.425 -1.278 20 0 DAADMO C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1 ZINC001094822547 781584998 /nfs/dbraw/zinc/58/49/98/781584998.db2.gz KSQHDDCRDYGEFL-RYUDHWBXSA-N 1 1 321.381 -1.335 20 0 DAADMO CO[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)C(=O)OC(C)(C)C ZINC001171661486 781586186 /nfs/dbraw/zinc/58/61/86/781586186.db2.gz CXRXXNZPSLKBAU-IINYFYTJSA-N 1 1 318.370 -1.190 20 0 DAADMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099936779 781586322 /nfs/dbraw/zinc/58/63/22/781586322.db2.gz DPASXWRAQPLIPH-UWVGGRQHSA-N 1 1 324.403 -3.026 20 0 DAADMO CCC[N@H+]1CCCO[C@H](CNC(=O)CNS(=O)(=O)NC)C1 ZINC001150021663 781589004 /nfs/dbraw/zinc/58/90/04/781589004.db2.gz LEKHDTGDAPKWDD-LLVKDONJSA-N 1 1 322.431 -1.343 20 0 DAADMO CCn1cc(C[NH2+]CCNC(=O)c2ccc(=O)n(C)n2)nn1 ZINC001150130191 781592183 /nfs/dbraw/zinc/59/21/83/781592183.db2.gz MBOOPXBXSBAXIB-UHFFFAOYSA-N 1 1 305.342 -1.089 20 0 DAADMO COc1cccc2c1C[C@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)CO2 ZINC001173163935 781592619 /nfs/dbraw/zinc/59/26/19/781592619.db2.gz ZHQMIGRVCHJEHH-FESTWEEDSA-N 1 1 305.382 -1.009 20 0 DAADMO COc1cccc2c1C[C@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)CO2 ZINC001173163933 781592764 /nfs/dbraw/zinc/59/27/64/781592764.db2.gz ZHQMIGRVCHJEHH-BCZWGYKPSA-N 1 1 305.382 -1.009 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001115048686 781594274 /nfs/dbraw/zinc/59/42/74/781594274.db2.gz AEWQTICEFRVPTN-PJXYFTJBSA-N 1 1 319.427 -1.039 20 0 DAADMO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001115048875 781594634 /nfs/dbraw/zinc/59/46/34/781594634.db2.gz FAZVYHQXXIZTJE-DCQANWLSSA-N 1 1 319.427 -1.305 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001150255383 781596033 /nfs/dbraw/zinc/59/60/33/781596033.db2.gz ZOKHYNDMNNSKHM-MNOVXSKESA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)CCCO2)CC1 ZINC001150255383 781596041 /nfs/dbraw/zinc/59/60/41/781596041.db2.gz ZOKHYNDMNNSKHM-MNOVXSKESA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001150255382 781596426 /nfs/dbraw/zinc/59/64/26/781596426.db2.gz ZOKHYNDMNNSKHM-GHMZBOCLSA-N 1 1 324.381 -1.653 20 0 DAADMO NC(=O)C1(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CCCO2)CC1 ZINC001150255382 781596432 /nfs/dbraw/zinc/59/64/32/781596432.db2.gz ZOKHYNDMNNSKHM-GHMZBOCLSA-N 1 1 324.381 -1.653 20 0 DAADMO Cc1cnc(C[NH2+]CCNC(=O)CN2C(=O)CN(C)C2=O)nc1 ZINC001150332405 781597541 /nfs/dbraw/zinc/59/75/41/781597541.db2.gz SSHRUUKGBIYEMU-UHFFFAOYSA-N 1 1 320.353 -1.115 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)c1nnn(C)n1 ZINC001174757958 781599138 /nfs/dbraw/zinc/59/91/38/781599138.db2.gz JEGAODBOSUVMRO-SECBINFHSA-N 1 1 322.377 -1.188 20 0 DAADMO C[C@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972530 781601097 /nfs/dbraw/zinc/60/10/97/781601097.db2.gz VPJWXHYFAHISCZ-NXEZZACHSA-N 1 1 324.389 -1.344 20 0 DAADMO C[C@@H](CCCC[NH2+]Cc1nnn(C)n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972532 781601175 /nfs/dbraw/zinc/60/11/75/781601175.db2.gz VPJWXHYFAHISCZ-UWVGGRQHSA-N 1 1 324.389 -1.344 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)Cn2nc(C)n(C)c2=O)o1 ZINC001175018465 781602390 /nfs/dbraw/zinc/60/23/90/781602390.db2.gz OEZMROZXNDNHIP-UHFFFAOYSA-N 1 1 323.357 -1.122 20 0 DAADMO CC1(C)COc2cnc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc21 ZINC001174985483 781603799 /nfs/dbraw/zinc/60/37/99/781603799.db2.gz CHICFMHCJHMUBP-AGIUHOORSA-N 1 1 318.381 -1.116 20 0 DAADMO COCc1noc(C[NH2+]CCCNC(=O)CCNC(N)=O)n1 ZINC001175567094 781607429 /nfs/dbraw/zinc/60/74/29/781607429.db2.gz JKGRDWOCSPCODO-UHFFFAOYSA-N 1 1 314.346 -1.130 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)CN2C(=O)CNC2=O)o1 ZINC001175567809 781609504 /nfs/dbraw/zinc/60/95/04/781609504.db2.gz SLIHOPWHGSJTHC-UHFFFAOYSA-N 1 1 310.314 -1.474 20 0 DAADMO Cn1ncc(C[NH2+]CCNC(=O)C2CCN(C(N)=O)CC2)n1 ZINC001150517148 781610846 /nfs/dbraw/zinc/61/08/46/781610846.db2.gz IZXUVMOVUFYMAT-UHFFFAOYSA-N 1 1 309.374 -1.188 20 0 DAADMO O=C(CN1CC[NH+](CCCN2C(=O)CNC2=O)CC1)NC1CC1 ZINC000066411516 781611793 /nfs/dbraw/zinc/61/17/93/781611793.db2.gz VMUOLWXBYFWZLF-UHFFFAOYSA-N 1 1 323.397 -1.176 20 0 DAADMO Cn1nnnc1C[NH2+]CCNC(=O)CCCN1C(=O)CNC1=O ZINC001150532792 781612723 /nfs/dbraw/zinc/61/27/23/781612723.db2.gz FZJFVTAYEFNFSH-UHFFFAOYSA-N 1 1 324.345 -2.252 20 0 DAADMO COc1cncc(CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001175835292 781612753 /nfs/dbraw/zinc/61/27/53/781612753.db2.gz DGTSRXQBOZZFBE-MELADBBJSA-N 1 1 306.370 -1.458 20 0 DAADMO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176153113 781613444 /nfs/dbraw/zinc/61/34/44/781613444.db2.gz PENMPQQKJICSQY-OLZOCXBDSA-N 1 1 312.414 -1.061 20 0 DAADMO Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC001176279242 781615096 /nfs/dbraw/zinc/61/50/96/781615096.db2.gz YWTTWJZUKMYIJN-VIFPVBQESA-N 1 1 317.371 -1.334 20 0 DAADMO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCS(=O)(=O)N2)o1 ZINC001176290158 781616751 /nfs/dbraw/zinc/61/67/51/781616751.db2.gz ZOWFAYNUUSTQBU-VIFPVBQESA-N 1 1 317.371 -1.334 20 0 DAADMO CCc1nnc(C[NH2+]CCCNC(=O)CS(=O)(=O)NC)o1 ZINC001176336962 781617883 /nfs/dbraw/zinc/61/78/83/781617883.db2.gz UQPNJHALXFRKNV-UHFFFAOYSA-N 1 1 319.387 -1.223 20 0 DAADMO CCCS(=O)(=O)CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001176357457 781619404 /nfs/dbraw/zinc/61/94/04/781619404.db2.gz IKGUMFCUCJGZBX-UHFFFAOYSA-N 1 1 318.403 -1.369 20 0 DAADMO Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCCS1(=O)=O ZINC001176585161 781621051 /nfs/dbraw/zinc/62/10/51/781621051.db2.gz KLVFKRFJOOWFPI-VIFPVBQESA-N 1 1 316.387 -1.617 20 0 DAADMO CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907704 781625992 /nfs/dbraw/zinc/62/59/92/781625992.db2.gz RNPGZTREDQMAIN-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 ZINC001176907704 781625998 /nfs/dbraw/zinc/62/59/98/781625998.db2.gz RNPGZTREDQMAIN-RYUDHWBXSA-N 1 1 314.386 -1.007 20 0 DAADMO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907474 781626407 /nfs/dbraw/zinc/62/64/07/781626407.db2.gz QJRBQLULBNGLCR-MNOVXSKESA-N 1 1 300.359 -1.397 20 0 DAADMO COCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(N)=O)C[C@H]21 ZINC001176907474 781626408 /nfs/dbraw/zinc/62/64/08/781626408.db2.gz QJRBQLULBNGLCR-MNOVXSKESA-N 1 1 300.359 -1.397 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](CCOC)[C@@H]2C1 ZINC001177024517 781630083 /nfs/dbraw/zinc/63/00/83/781630083.db2.gz IKLMJZINLJREGO-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOC)[C@@H]2C1 ZINC001177024517 781630088 /nfs/dbraw/zinc/63/00/88/781630088.db2.gz IKLMJZINLJREGO-NEPJUHHUSA-N 1 1 314.386 -1.137 20 0 DAADMO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177054584 781630827 /nfs/dbraw/zinc/63/08/27/781630827.db2.gz AXOGOUYVZNNSCZ-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO CC[N@H+]1CCO[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)C[C@@H]21 ZINC001177054584 781630834 /nfs/dbraw/zinc/63/08/34/781630834.db2.gz AXOGOUYVZNNSCZ-WDEREUQCSA-N 1 1 320.415 -1.638 20 0 DAADMO C[C@@H](CS(C)(=O)=O)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001177090371 781631629 /nfs/dbraw/zinc/63/16/29/781631629.db2.gz MJOVPUZNFXFQTB-VIFPVBQESA-N 1 1 318.403 -1.513 20 0 DAADMO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001150691726 781633902 /nfs/dbraw/zinc/63/39/02/781633902.db2.gz DZZDKPVRXAVKPW-GHMZBOCLSA-N 1 1 302.375 -1.367 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)[C@H]2NCN[C@H]21 ZINC001177629709 781638742 /nfs/dbraw/zinc/63/87/42/781638742.db2.gz RWRJBCVPIFMECZ-IGQOVBAYSA-N 1 1 320.397 -1.237 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)[C@H]2NCN[C@H]21 ZINC001177629709 781638748 /nfs/dbraw/zinc/63/87/48/781638748.db2.gz RWRJBCVPIFMECZ-IGQOVBAYSA-N 1 1 320.397 -1.237 20 0 DAADMO Cc1[nH]c(=S)sc1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001177604872 781638908 /nfs/dbraw/zinc/63/89/08/781638908.db2.gz PPAXEJSWNMABFH-LPEHRKFASA-N 1 1 314.440 -1.198 20 0 DAADMO COc1cccc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)n1 ZINC001178053372 781640528 /nfs/dbraw/zinc/64/05/28/781640528.db2.gz JKPFRIZERMLWJD-AVGNSLFASA-N 1 1 318.381 -1.359 20 0 DAADMO Cn1nnc(C[NH2+]CCCCCCNC(=O)Cn2cnnn2)n1 ZINC001177877656 781640673 /nfs/dbraw/zinc/64/06/73/781640673.db2.gz FXLRFLZGOHQOAR-UHFFFAOYSA-N 1 1 322.377 -1.337 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2csc(NC=O)n2)[C@@H]2NCN[C@H]21 ZINC001178038124 781641385 /nfs/dbraw/zinc/64/13/85/781641385.db2.gz QGOUDCPWERVPOR-AEJSXWLSSA-N 1 1 311.371 -2.227 20 0 DAADMO Cc1ccnc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)c1 ZINC001178074897 781642241 /nfs/dbraw/zinc/64/22/41/781642241.db2.gz UELHBBWLVUORJP-AVGNSLFASA-N 1 1 302.382 -1.059 20 0 DAADMO CCCn1nnnc1C[NH2+][C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178097134 781642406 /nfs/dbraw/zinc/64/24/06/781642406.db2.gz VZTZFXDPTNZPNJ-UWVGGRQHSA-N 1 1 324.389 -1.170 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2CN(c3cnccn3)C2)[C@@H]2NCN[C@H]21 ZINC001178100228 781642477 /nfs/dbraw/zinc/64/24/77/781642477.db2.gz IYOHQAAHSLZNIH-TUAOUCFPSA-N 1 1 304.358 -2.568 20 0 DAADMO Cc1ccc(C2(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)nc1 ZINC001178145782 781643877 /nfs/dbraw/zinc/64/38/77/781643877.db2.gz WFHMUYIBOPOPPJ-FRRDWIJNSA-N 1 1 302.382 -1.059 20 0 DAADMO Cc1ccc(C2(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)nc1 ZINC001178145781 781643907 /nfs/dbraw/zinc/64/39/07/781643907.db2.gz WFHMUYIBOPOPPJ-AVGNSLFASA-N 1 1 302.382 -1.059 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)[C@@H]1C ZINC001178547979 781647736 /nfs/dbraw/zinc/64/77/36/781647736.db2.gz NWHYEAXRJZLIAS-UTLUCORTSA-N 1 1 309.374 -1.014 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H]1C)NC(N)=O ZINC001178685503 781651165 /nfs/dbraw/zinc/65/11/65/781651165.db2.gz VMFHQXCWQDDCII-GUBZILKMSA-N 1 1 324.389 -1.264 20 0 DAADMO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001110227329 781656586 /nfs/dbraw/zinc/65/65/86/781656586.db2.gz UEEOYWGNRFQXQE-MXWKQRLJSA-N 1 1 310.354 -1.094 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]nnc2C)[C@H]1C ZINC001179290098 781657547 /nfs/dbraw/zinc/65/75/47/781657547.db2.gz NCNURKPSTYKDGZ-IUCAKERBSA-N 1 1 323.357 -1.239 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)COc2ccc(CO)cc2)[C@@H]2NCN[C@H]21 ZINC001179664651 781661235 /nfs/dbraw/zinc/66/12/35/781661235.db2.gz DEVUQAIEFCTQKY-MJBXVCDLSA-N 1 1 307.354 -1.923 20 0 DAADMO C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)Cc1ncn[nH]1 ZINC001179894518 781663323 /nfs/dbraw/zinc/66/33/23/781663323.db2.gz HIZKMYYXRQXJQZ-UWVGGRQHSA-N 1 1 315.399 -1.029 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C(=O)NCC1CC1 ZINC001179806718 781663533 /nfs/dbraw/zinc/66/35/33/781663533.db2.gz HTWCCEXDJALMJC-ONGXEEELSA-N 1 1 321.385 -1.185 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2ncnn2C)CCN1C(=O)CCNC(N)=O ZINC001180096137 781664365 /nfs/dbraw/zinc/66/43/65/781664365.db2.gz HYJZSKHUIVHCFY-UWVGGRQHSA-N 1 1 309.374 -1.048 20 0 DAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H](CO)[C@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001206406614 781665140 /nfs/dbraw/zinc/66/51/40/781665140.db2.gz ZQVOSXPNGOAEMU-QKFSQAGISA-N 1 1 303.355 -1.101 20 0 DAADMO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)n2)CCN1C(=O)CCNC(N)=O ZINC001180096337 781666257 /nfs/dbraw/zinc/66/62/57/781666257.db2.gz MTFCVTPPQKSVCZ-ONGXEEELSA-N 1 1 309.374 -1.048 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCc3ccccc32)[C@H]2NCN[C@@H]21 ZINC001180290845 781669157 /nfs/dbraw/zinc/66/91/57/781669157.db2.gz FNBXEVBXQSQPCO-RBSFLKMASA-N 1 1 302.382 -1.432 20 0 DAADMO COc1cc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1F ZINC001180429932 781671589 /nfs/dbraw/zinc/67/15/89/781671589.db2.gz QXKAMPVNGYBQBO-RDBSUJKOSA-N 1 1 309.345 -1.104 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CCC(=O)N2CCOCC2)[C@@H]2NCN[C@H]21 ZINC001180499765 781672213 /nfs/dbraw/zinc/67/22/13/781672213.db2.gz ZFLGERDYPJRDSF-XQQFMLRXSA-N 1 1 312.374 -2.856 20 0 DAADMO CN(C)c1cccc(OCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001180618202 781673644 /nfs/dbraw/zinc/67/36/44/781673644.db2.gz KFDYKSJZGYYKQU-KKUMJFAQSA-N 1 1 320.397 -1.350 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H]2NCN[C@H]21 ZINC001180597065 781674785 /nfs/dbraw/zinc/67/47/85/781674785.db2.gz DKSNDQWCXXBSPN-HBNTYKKESA-N 1 1 318.403 -3.764 20 0 DAADMO C[N@@H+](CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C1CCCC1 ZINC001180630141 781676373 /nfs/dbraw/zinc/67/63/73/781676373.db2.gz KXSABZIRBFFNJN-FZGMBXNASA-N 1 1 318.370 -2.223 20 0 DAADMO CCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180722840 781677676 /nfs/dbraw/zinc/67/76/76/781677676.db2.gz OPBZZEJQZVDYAS-LLVKDONJSA-N 1 1 309.374 -1.090 20 0 DAADMO CC(C)C(=O)N1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001180848060 781678670 /nfs/dbraw/zinc/67/86/70/781678670.db2.gz PKQJGSPCQYKKTQ-FRRDWIJNSA-N 1 1 324.429 -1.600 20 0 DAADMO CCCCn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905449 781680482 /nfs/dbraw/zinc/68/04/82/781680482.db2.gz BGLPWMMVPQPFDP-SNVBAGLBSA-N 1 1 324.389 -1.168 20 0 DAADMO COCCN1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1=O ZINC001180895719 781680576 /nfs/dbraw/zinc/68/05/76/781680576.db2.gz PKTNDCOMKOISAS-KXGXSXBTSA-N 1 1 312.374 -3.000 20 0 DAADMO COCCN1C[C@H](C(=O)NCC[NH+]2CC3(COC3)C2)CC1=O ZINC001180894621 781681133 /nfs/dbraw/zinc/68/11/33/781681133.db2.gz GWXFUOIEWLBZCE-GFCCVEGCSA-N 1 1 311.382 -1.070 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2ccc3nccnc3c2)[C@@H]2NCN[C@H]21 ZINC001181025849 781681672 /nfs/dbraw/zinc/68/16/72/781681672.db2.gz WIDJPGVRCICWNI-ZNMIVQPWSA-N 1 1 313.365 -1.309 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001181131084 781683491 /nfs/dbraw/zinc/68/34/91/781683491.db2.gz KOJYCYLMATZRMF-GXSJLCMTSA-N 1 1 309.374 -1.060 20 0 DAADMO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001181098670 781683794 /nfs/dbraw/zinc/68/37/94/781683794.db2.gz YGINHCBFPBQHEE-SECBINFHSA-N 1 1 301.372 -1.237 20 0 DAADMO COC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001181295292 781685888 /nfs/dbraw/zinc/68/58/88/781685888.db2.gz RVIVDKYZXZZXCS-DTWKUNHWSA-N 1 1 311.346 -1.182 20 0 DAADMO CC(=O)N[C@H](CC(F)(F)F)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181341855 781688193 /nfs/dbraw/zinc/68/81/93/781688193.db2.gz BBQFOISHLGJRLX-RYPBNFRJSA-N 1 1 324.307 -2.037 20 0 DAADMO COc1ccc(COCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001181754953 781692228 /nfs/dbraw/zinc/69/22/28/781692228.db2.gz GMRMTLQDHMBVPV-SOUVJXGZSA-N 1 1 321.381 -1.269 20 0 DAADMO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001181779174 781692292 /nfs/dbraw/zinc/69/22/92/781692292.db2.gz IGBWJBDEVIZGBB-SNVBAGLBSA-N 1 1 308.342 -1.402 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2nc[nH]n2)C1)C(=O)NC(N)=O ZINC001181916802 781694546 /nfs/dbraw/zinc/69/45/46/781694546.db2.gz HKDSXUHKPLHVIP-RKDXNWHRSA-N 1 1 323.357 -1.489 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cn2nc(Cl)ccc2=O)[C@H]2NCN[C@H]21 ZINC001181896310 781695007 /nfs/dbraw/zinc/69/50/07/781695007.db2.gz NDVRQRRBSHUCGM-HBNTYKKESA-N 1 1 313.749 -2.584 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]2NCN[C@@H]21 ZINC001181901945 781695198 /nfs/dbraw/zinc/69/51/98/781695198.db2.gz LJMINQMUVQQGGG-LOWDOPEQSA-N 1 1 305.338 -1.655 20 0 DAADMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001182000329 781696223 /nfs/dbraw/zinc/69/62/23/781696223.db2.gz KIKICGCCGUZKKW-HXZMXFDXSA-N 1 1 318.370 -2.223 20 0 DAADMO CC(=O)O[C@H]1CO[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)S1 ZINC001182207501 781701490 /nfs/dbraw/zinc/70/14/90/781701490.db2.gz HOIXYKBDISXGMQ-WHSYLGORSA-N 1 1 317.371 -2.516 20 0 DAADMO CC(=O)O[C@H]1CO[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)S1 ZINC001182207502 781702064 /nfs/dbraw/zinc/70/20/64/781702064.db2.gz HOIXYKBDISXGMQ-YBEMZLNNSA-N 1 1 317.371 -2.516 20 0 DAADMO COCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001182198873 781702141 /nfs/dbraw/zinc/70/21/41/781702141.db2.gz KHNZCIHGTSAKJL-KKUMJFAQSA-N 1 1 305.382 -1.105 20 0 DAADMO O=C(C[NH+]1CCCC1)NCCNCC(=O)N1CCNC(=O)C1 ZINC001151098068 781702198 /nfs/dbraw/zinc/70/21/98/781702198.db2.gz TZYMKZKKHXNFQR-UHFFFAOYSA-N 1 1 311.386 -2.254 20 0 DAADMO COCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001182198875 781702673 /nfs/dbraw/zinc/70/26/73/781702673.db2.gz KHNZCIHGTSAKJL-QLFBSQMISA-N 1 1 305.382 -1.105 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275733 781704640 /nfs/dbraw/zinc/70/46/40/781704640.db2.gz UMAJIIOIBNGNPR-MXWKQRLJSA-N 1 1 311.386 -1.099 20 0 DAADMO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110275733 781704643 /nfs/dbraw/zinc/70/46/43/781704643.db2.gz UMAJIIOIBNGNPR-MXWKQRLJSA-N 1 1 311.386 -1.099 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110273654 781704786 /nfs/dbraw/zinc/70/47/86/781704786.db2.gz ZERHAJUVBBWFIX-ZDCRXTMVSA-N 1 1 311.386 -1.147 20 0 DAADMO C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110273654 781704793 /nfs/dbraw/zinc/70/47/93/781704793.db2.gz ZERHAJUVBBWFIX-ZDCRXTMVSA-N 1 1 311.386 -1.147 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)[C@H]2NCN[C@@H]21 ZINC001182461542 781707228 /nfs/dbraw/zinc/70/72/28/781707228.db2.gz KGWTYXZXJUZURX-OJAKKHQRSA-N 1 1 308.386 -2.236 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)[C@@H]2NCN[C@@H]21 ZINC001182461540 781707735 /nfs/dbraw/zinc/70/77/35/781707735.db2.gz KGWTYXZXJUZURX-JHEVNIALSA-N 1 1 308.386 -2.236 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1)NC(N)=O ZINC001182554189 781708700 /nfs/dbraw/zinc/70/87/00/781708700.db2.gz RDLCDAZIXXMSIC-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001110315056 781708923 /nfs/dbraw/zinc/70/89/23/781708923.db2.gz IXRYQKQPZSYLDV-UTUOFQBUSA-N 1 1 308.382 -1.020 20 0 DAADMO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001110315056 781708931 /nfs/dbraw/zinc/70/89/31/781708931.db2.gz IXRYQKQPZSYLDV-UTUOFQBUSA-N 1 1 308.382 -1.020 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1)NC(N)=O ZINC001182554338 781709202 /nfs/dbraw/zinc/70/92/02/781709202.db2.gz TTXOTTZTCXUFFX-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nn2)C1)NC(N)=O ZINC001182562538 781709298 /nfs/dbraw/zinc/70/92/98/781709298.db2.gz VJQFQMHUFJCXCV-VHSXEESVSA-N 1 1 309.374 -1.048 20 0 DAADMO Cc1[nH]c2ncccc2c1CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182618960 781710999 /nfs/dbraw/zinc/71/09/99/781710999.db2.gz GLLAFSPOEYEFIE-KCQAQPDRSA-N 1 1 315.381 -1.067 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C23CCC(CO)(CC2)CC3)[C@@H]2NCN[C@H]21 ZINC001182709804 781712153 /nfs/dbraw/zinc/71/21/53/781712153.db2.gz SXBKXUSSMBUMEQ-GNVUBMPBSA-N 1 1 309.414 -1.162 20 0 DAADMO CNC(=O)C[NH+]1CCC(CCOC)(NC(=O)C(N)=O)CC1 ZINC001151281995 781713527 /nfs/dbraw/zinc/71/35/27/781713527.db2.gz USAOMIHAVGCZNR-UHFFFAOYSA-N 1 1 300.359 -1.795 20 0 DAADMO Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 ZINC001151300215 781714824 /nfs/dbraw/zinc/71/48/24/781714824.db2.gz LBKFUIRLQWWARG-APPZFPTMSA-N 1 1 316.387 -1.428 20 0 DAADMO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)N1)c1nnnn1C ZINC001151300412 781716622 /nfs/dbraw/zinc/71/66/22/781716622.db2.gz LIQMXRGTSCLXQN-YUMQZZPRSA-N 1 1 317.375 -2.331 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001183007976 781717703 /nfs/dbraw/zinc/71/77/03/781717703.db2.gz XDXRSEQWOZXSQG-LLVKDONJSA-N 1 1 324.385 -1.390 20 0 DAADMO O=C(NCC[NH2+]Cc1cnns1)[C@@H]1CCS(=O)(=O)N1 ZINC001151306169 781721313 /nfs/dbraw/zinc/72/13/13/781721313.db2.gz AQQWIEKUGNABMJ-QMMMGPOBSA-N 1 1 305.385 -1.564 20 0 DAADMO CS(=O)(=O)N1CC(C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001183025734 781721417 /nfs/dbraw/zinc/72/14/17/781721417.db2.gz UNGAHSKRAZJRDC-UHFFFAOYSA-N 1 1 317.411 -1.141 20 0 DAADMO COCC(=O)NCCC(=O)N1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001183024765 781721468 /nfs/dbraw/zinc/72/14/68/781721468.db2.gz OZXVJWVJRBICEU-LLVKDONJSA-N 1 1 324.385 -1.342 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183194185 781721907 /nfs/dbraw/zinc/72/19/07/781721907.db2.gz XGLRYGVQPJYWPF-LLVKDONJSA-N 1 1 319.373 -1.028 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001183059990 781722233 /nfs/dbraw/zinc/72/22/33/781722233.db2.gz POTWYTTTYGZBJZ-VHSXEESVSA-N 1 1 309.374 -1.004 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001183115475 781722538 /nfs/dbraw/zinc/72/25/38/781722538.db2.gz HTJCKEOXYYIHNF-SNVBAGLBSA-N 1 1 308.342 -1.272 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCc3ccccc3[C@@H]2O)[C@@H]2NCN[C@H]21 ZINC001183388016 781724348 /nfs/dbraw/zinc/72/43/48/781724348.db2.gz GWVQQBYWBWENJT-FQKPHLNHSA-N 1 1 317.393 -1.199 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)C2(c3ccc(O)cc3)CC2)[C@@H]2NCN[C@H]21 ZINC001183344196 781724453 /nfs/dbraw/zinc/72/44/53/781724453.db2.gz WGUXGHRHVFKLEA-XQQFMLRXSA-N 1 1 303.366 -1.057 20 0 DAADMO COC(=O)[C@H]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001183434810 781725791 /nfs/dbraw/zinc/72/57/91/781725791.db2.gz XULWECJBKBPTAW-HHHUOAJASA-N 1 1 311.386 -1.515 20 0 DAADMO COC(=O)[C@H]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001183434816 781726123 /nfs/dbraw/zinc/72/61/23/781726123.db2.gz XULWECJBKBPTAW-UHFZAUJKSA-N 1 1 311.386 -1.515 20 0 DAADMO O=C(C[C@@H]1NC(=O)CNC1=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001183717197 781731301 /nfs/dbraw/zinc/73/13/01/781731301.db2.gz HDRLKKVFBJQKSW-LBPRGKRZSA-N 1 1 320.393 -1.065 20 0 DAADMO O=C(C[C@@H]1NC(=O)CNC1=O)NC1CC[NH+](CCF)CC1 ZINC001183730102 781734100 /nfs/dbraw/zinc/73/41/00/781734100.db2.gz CHCPFOOMRTTXJA-JTQLQIEISA-N 1 1 300.334 -1.459 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001183758526 781735036 /nfs/dbraw/zinc/73/50/36/781735036.db2.gz VVARCVWYNFLGEF-XQLPTFJDSA-N 1 1 316.409 -1.220 20 0 DAADMO N[C@@H]1NCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@@H]2NCN[C@H]21 ZINC001183758526 781735041 /nfs/dbraw/zinc/73/50/41/781735041.db2.gz VVARCVWYNFLGEF-XQLPTFJDSA-N 1 1 316.409 -1.220 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001183764331 781735072 /nfs/dbraw/zinc/73/50/72/781735072.db2.gz YNQMXKCWBVNLGZ-JQWIXIFHSA-N 1 1 323.401 -1.080 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)Cc2noc3cc(O)ccc23)[C@H]2NCN[C@@H]21 ZINC001183992830 781739683 /nfs/dbraw/zinc/73/96/83/781739683.db2.gz MZYDROUNDZPJMT-MGPQQGTHSA-N 1 1 318.337 -1.405 20 0 DAADMO COC(=O)N[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)C(C)C ZINC001183950295 781739876 /nfs/dbraw/zinc/73/98/76/781739876.db2.gz MSUFEYGRAGGQAN-XKNYDFJKSA-N 1 1 300.363 -2.114 20 0 DAADMO CCCn1ncnc1C[NH2+]CCNC(=O)CS(=O)(=O)NC ZINC001151373497 781740046 /nfs/dbraw/zinc/74/00/46/781740046.db2.gz PSXOBAAYTUQBEV-UHFFFAOYSA-N 1 1 318.403 -1.557 20 0 DAADMO CCc1nnc([C@H](C)[NH2+]CCNC(=O)CS(=O)(=O)NC)[nH]1 ZINC001151379914 781740893 /nfs/dbraw/zinc/74/08/93/781740893.db2.gz XQPZPXMEDYTRNQ-QMMMGPOBSA-N 1 1 318.403 -1.317 20 0 DAADMO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001151379886 781741108 /nfs/dbraw/zinc/74/11/08/781741108.db2.gz WUWUMXKIOXWFNH-UHFFFAOYSA-N 1 1 316.387 -1.563 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001184778401 781750500 /nfs/dbraw/zinc/75/05/00/781750500.db2.gz KHUWNHGLZUGSJH-SECBINFHSA-N 1 1 301.372 -1.038 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCOc3ccccc3O2)[C@H]2NCN[C@H]21 ZINC001184724886 781750865 /nfs/dbraw/zinc/75/08/65/781750865.db2.gz MACDEWJLOIHWKR-IGQOVBAYSA-N 1 1 319.365 -1.264 20 0 DAADMO Cc1nn[nH]c1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001184784108 781750899 /nfs/dbraw/zinc/75/08/99/781750899.db2.gz ATMPNEBRTBLHLE-JGVFFNPUSA-N 1 1 309.330 -1.499 20 0 DAADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001185244644 781756785 /nfs/dbraw/zinc/75/67/85/781756785.db2.gz LOURJJQVMOOZRD-GFCCVEGCSA-N 1 1 310.398 -1.260 20 0 DAADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001185266924 781757251 /nfs/dbraw/zinc/75/72/51/781757251.db2.gz JPUJWEBNRQNCCB-GRRZBWEESA-N 1 1 319.358 -3.852 20 0 DAADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185266840 781757960 /nfs/dbraw/zinc/75/79/60/781757960.db2.gz HNMCBFBMOAOSMY-STQMWFEESA-N 1 1 323.397 -1.134 20 0 DAADMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001185378133 781761444 /nfs/dbraw/zinc/76/14/44/781761444.db2.gz PFEURKWGHSSZAV-PWSUYJOCSA-N 1 1 322.369 -1.867 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC001185750067 781766202 /nfs/dbraw/zinc/76/62/02/781766202.db2.gz SBEMUGIJFBTNCI-SECBINFHSA-N 1 1 309.330 -1.877 20 0 DAADMO NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001185750067 781766205 /nfs/dbraw/zinc/76/62/05/781766205.db2.gz SBEMUGIJFBTNCI-SECBINFHSA-N 1 1 309.330 -1.877 20 0 DAADMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001185912227 781768615 /nfs/dbraw/zinc/76/86/15/781768615.db2.gz AVHHLFUDWFTVRU-DTWKUNHWSA-N 1 1 317.371 -1.302 20 0 DAADMO NC(=O)CC(=O)N1CCC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001185899402 781769032 /nfs/dbraw/zinc/76/90/32/781769032.db2.gz LEGNAJLWDNZNCB-LLVKDONJSA-N 1 1 310.358 -1.601 20 0 DAADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001186038876 781769870 /nfs/dbraw/zinc/76/98/70/781769870.db2.gz SLRWUWSJUPYDFR-IUODEOHRSA-N 1 1 324.381 -1.998 20 0 DAADMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001186034942 781770741 /nfs/dbraw/zinc/77/07/41/781770741.db2.gz XQYCRCVNFNDVQA-CHWSQXEVSA-N 1 1 311.382 -1.097 20 0 DAADMO COCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001186059438 781772235 /nfs/dbraw/zinc/77/22/35/781772235.db2.gz MUDPJPWMTBHHOI-GHMZBOCLSA-N 1 1 312.374 -1.048 20 0 DAADMO COC(=O)[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](O)C2)CCN1C(C)=O ZINC001186044437 781772307 /nfs/dbraw/zinc/77/23/07/781772307.db2.gz HBCVJPWOFYCNOI-NEPJUHHUSA-N 1 1 313.354 -1.715 20 0 DAADMO Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186041071 781772402 /nfs/dbraw/zinc/77/24/02/781772402.db2.gz JUJCNZPFPZORJS-VXGBXAGGSA-N 1 1 324.385 -1.046 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(NS(C)(=O)=O)C2)C1 ZINC001186107456 781772572 /nfs/dbraw/zinc/77/25/72/781772572.db2.gz TYGLTGKNUMNDAE-VIFPVBQESA-N 1 1 319.383 -1.759 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055963 781773019 /nfs/dbraw/zinc/77/30/19/781773019.db2.gz WNHFAGGQHUPPRN-NWDGAFQWSA-N 1 1 310.354 -1.313 20 0 DAADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055963 781773024 /nfs/dbraw/zinc/77/30/24/781773024.db2.gz WNHFAGGQHUPPRN-NWDGAFQWSA-N 1 1 310.354 -1.313 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1[C@@H]2CC[C@H]1CC1(C2)NC(=O)NC1=O ZINC001186044780 781773058 /nfs/dbraw/zinc/77/30/58/781773058.db2.gz KCNQTXRPHAEUPN-PGLKQGCBSA-N 1 1 322.365 -1.215 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186056334 781773113 /nfs/dbraw/zinc/77/31/13/781773113.db2.gz XWOGYTSNQJJTKE-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO CS(=O)(=O)N1CCC(CNC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186056334 781773118 /nfs/dbraw/zinc/77/31/18/781773118.db2.gz XWOGYTSNQJJTKE-GFCCVEGCSA-N 1 1 319.427 -1.159 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(c2ncc(O)cn2)CC1 ZINC001186045953 781773178 /nfs/dbraw/zinc/77/31/78/781773178.db2.gz XMTVDSWPUGZAED-NSHDSACASA-N 1 1 307.354 -1.103 20 0 DAADMO O=C(C[N@H+]1CC[C@H](O)C1)NCCCN1CCS(=O)(=O)CC1 ZINC001186056641 781773506 /nfs/dbraw/zinc/77/35/06/781773506.db2.gz YVWHMFYYWIHNRP-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO O=C(C[N@@H+]1CC[C@H](O)C1)NCCCN1CCS(=O)(=O)CC1 ZINC001186056641 781773512 /nfs/dbraw/zinc/77/35/12/781773512.db2.gz YVWHMFYYWIHNRP-LBPRGKRZSA-N 1 1 319.427 -1.710 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](O)[C@@H](CO)C2)C1 ZINC001186100944 781773559 /nfs/dbraw/zinc/77/35/59/781773559.db2.gz NZHBXCAMRBJLHU-QJPTWQEYSA-N 1 1 300.355 -1.317 20 0 DAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)C1 ZINC001186116693 781774377 /nfs/dbraw/zinc/77/43/77/781774377.db2.gz LEHIMDRXSWDKSN-PDEGPIFNSA-N 1 1 312.374 -3.000 20 0 DAADMO C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186221956 781775277 /nfs/dbraw/zinc/77/52/77/781775277.db2.gz RUPLAIOQQSMRCW-VHSXEESVSA-N 1 1 322.369 -1.026 20 0 DAADMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)c1nnnn1C ZINC001186177727 781775418 /nfs/dbraw/zinc/77/54/18/781775418.db2.gz RUSYPPUVIVFGSV-NXEZZACHSA-N 1 1 309.374 -1.060 20 0 DAADMO C[N@H+]1CCC[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001186364242 781777323 /nfs/dbraw/zinc/77/73/23/781777323.db2.gz KPTZZYAJNMJSKK-CTAKWSDESA-N 1 1 304.343 -2.756 20 0 DAADMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CCC(=O)N1 ZINC001110381613 781778391 /nfs/dbraw/zinc/77/83/91/781778391.db2.gz PBFFSSVZDWIYTP-LPWJVIDDSA-N 1 1 311.382 -1.005 20 0 DAADMO COCC(=O)N1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001186612350 781782005 /nfs/dbraw/zinc/78/20/05/781782005.db2.gz JGPURWAVSZUHPL-WDEREUQCSA-N 1 1 305.400 -1.285 20 0 DAADMO COCC(=O)N1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001186612350 781782009 /nfs/dbraw/zinc/78/20/09/781782009.db2.gz JGPURWAVSZUHPL-WDEREUQCSA-N 1 1 305.400 -1.285 20 0 DAADMO CC(=O)N[C@@H](CO)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001186606928 781785838 /nfs/dbraw/zinc/78/58/38/781785838.db2.gz DLVVHYSKNMTURH-QWRGUYRKSA-N 1 1 300.359 -2.333 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001186740623 781787365 /nfs/dbraw/zinc/78/73/65/781787365.db2.gz CAFWONRZIOEJFW-HBNTYKKESA-N 1 1 310.354 -1.107 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001186740623 781787374 /nfs/dbraw/zinc/78/73/74/781787374.db2.gz CAFWONRZIOEJFW-HBNTYKKESA-N 1 1 310.354 -1.107 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001186706178 781788422 /nfs/dbraw/zinc/78/84/22/781788422.db2.gz WIGQIEPFCXZOJS-QWHCGFSZSA-N 1 1 306.370 -1.053 20 0 DAADMO CC(=O)N1CCOC[C@@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001151586303 781789721 /nfs/dbraw/zinc/78/97/21/781789721.db2.gz IRMYVSVTCWRQGC-LLVKDONJSA-N 1 1 310.358 -1.732 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778036 781789878 /nfs/dbraw/zinc/78/98/78/781789878.db2.gz DGRAAMOPCIHQTK-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001186778036 781789885 /nfs/dbraw/zinc/78/98/85/781789885.db2.gz DGRAAMOPCIHQTK-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CNC(N)=O)[C@@H]3C2)C1=O ZINC001186805122 781790204 /nfs/dbraw/zinc/79/02/04/781790204.db2.gz YTPHMSMSBLXYNX-QJPTWQEYSA-N 1 1 323.397 -1.192 20 0 DAADMO O=C(CNC(=O)C1CC1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001187017090 781793125 /nfs/dbraw/zinc/79/31/25/781793125.db2.gz QSIRWAYGUCFBAP-RWMBFGLXSA-N 1 1 320.393 -1.066 20 0 DAADMO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187016196 781793311 /nfs/dbraw/zinc/79/33/11/781793311.db2.gz DVFWWVSXVODPTF-ADEWGFFLSA-N 1 1 308.382 -1.081 20 0 DAADMO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)C3CC3)[C@@H]2C1 ZINC001187016196 781793320 /nfs/dbraw/zinc/79/33/20/781793320.db2.gz DVFWWVSXVODPTF-ADEWGFFLSA-N 1 1 308.382 -1.081 20 0 DAADMO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001186968033 781793350 /nfs/dbraw/zinc/79/33/50/781793350.db2.gz GZYXQKGPUCNOSZ-SNVBAGLBSA-N 1 1 315.399 -1.028 20 0 DAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001187101332 781795791 /nfs/dbraw/zinc/79/57/91/781795791.db2.gz MFDQLGJRSLCJHY-GARJFASQSA-N 1 1 310.354 -1.250 20 0 DAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001187101332 781795799 /nfs/dbraw/zinc/79/57/99/781795799.db2.gz MFDQLGJRSLCJHY-GARJFASQSA-N 1 1 310.354 -1.250 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)OC)[C@@H]2C1 ZINC001187073081 781796419 /nfs/dbraw/zinc/79/64/19/781796419.db2.gz QGZIBZYEZKRRKE-SDDRHHMPSA-N 1 1 315.370 -1.118 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001187666628 781801657 /nfs/dbraw/zinc/80/16/57/781801657.db2.gz DYCYDXNEBKCCLO-NWDGAFQWSA-N 1 1 323.397 -1.320 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187666363 781802833 /nfs/dbraw/zinc/80/28/33/781802833.db2.gz DIKAOWZOKXQVCX-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001187666363 781802844 /nfs/dbraw/zinc/80/28/44/781802844.db2.gz DIKAOWZOKXQVCX-DTWKUNHWSA-N 1 1 311.342 -2.150 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001187553954 781803224 /nfs/dbraw/zinc/80/32/24/781803224.db2.gz ZECAQGPKTJADMQ-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCN3C)[C@@H]2C1 ZINC001187553954 781803233 /nfs/dbraw/zinc/80/32/33/781803233.db2.gz ZECAQGPKTJADMQ-MJBXVCDLSA-N 1 1 324.425 -1.014 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001187744097 781806040 /nfs/dbraw/zinc/80/60/40/781806040.db2.gz SYQTYGYVRWPIRX-HBNTYKKESA-N 1 1 310.354 -1.236 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001187744097 781806050 /nfs/dbraw/zinc/80/60/50/781806050.db2.gz SYQTYGYVRWPIRX-HBNTYKKESA-N 1 1 310.354 -1.236 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001187714990 781806685 /nfs/dbraw/zinc/80/66/85/781806685.db2.gz XTXDUDAWURQCON-GMXVVIOVSA-N 1 1 309.370 -1.031 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnnn3C)[C@@H]2C1 ZINC001187714989 781806830 /nfs/dbraw/zinc/80/68/30/781806830.db2.gz XTXDUDAWURQCON-DMDPSCGWSA-N 1 1 309.370 -1.031 20 0 DAADMO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187911550 781809360 /nfs/dbraw/zinc/80/93/60/781809360.db2.gz HFFGUSDCXXUFRC-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)[C@@H]2C1 ZINC001187911550 781809370 /nfs/dbraw/zinc/80/93/70/781809370.db2.gz HFFGUSDCXXUFRC-GARJFASQSA-N 1 1 311.386 -1.288 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001187902920 781809593 /nfs/dbraw/zinc/80/95/93/781809593.db2.gz ZCRDFBZUSPBDII-SNVBAGLBSA-N 1 1 302.356 -1.086 20 0 DAADMO CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930438 781811230 /nfs/dbraw/zinc/81/12/30/781811230.db2.gz RXWDFRDWCBZCFY-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930438 781811238 /nfs/dbraw/zinc/81/12/38/781811238.db2.gz RXWDFRDWCBZCFY-NWDGAFQWSA-N 1 1 321.385 -1.268 20 0 DAADMO CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930662 781811571 /nfs/dbraw/zinc/81/15/71/781811571.db2.gz WZXQWJNIOHBFPF-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930662 781811582 /nfs/dbraw/zinc/81/15/82/781811582.db2.gz WZXQWJNIOHBFPF-NWDGAFQWSA-N 1 1 321.385 -1.270 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001187930634 781812010 /nfs/dbraw/zinc/81/20/10/781812010.db2.gz WBEPMNCERYXIQB-QJPTWQEYSA-N 1 1 310.358 -1.787 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188095654 781812251 /nfs/dbraw/zinc/81/22/51/781812251.db2.gz PAJVAQOHTMYFHK-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO CS(=O)(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188095654 781812254 /nfs/dbraw/zinc/81/22/54/781812254.db2.gz PAJVAQOHTMYFHK-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO O=C(Cn1nccn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188051910 781812354 /nfs/dbraw/zinc/81/23/54/781812354.db2.gz ZDVIEJKDASAJML-QWHCGFSZSA-N 1 1 309.370 -1.180 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051708 781812707 /nfs/dbraw/zinc/81/27/07/781812707.db2.gz RJZSIHUCGPEJJQ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001188051708 781812714 /nfs/dbraw/zinc/81/27/14/781812714.db2.gz RJZSIHUCGPEJJQ-NWDGAFQWSA-N 1 1 306.370 -1.053 20 0 DAADMO CN(CCC[N@@H+](C)CC(=O)NCc1cccnc1)C(=O)C(N)=O ZINC001273554253 781813878 /nfs/dbraw/zinc/81/38/78/781813878.db2.gz RBRVWYOVCOLGMU-UHFFFAOYSA-N 1 1 321.381 -1.037 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188125584 781814616 /nfs/dbraw/zinc/81/46/16/781814616.db2.gz RECZCKKWDHQPGF-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188125584 781814623 /nfs/dbraw/zinc/81/46/23/781814623.db2.gz RECZCKKWDHQPGF-VHSXEESVSA-N 1 1 318.399 -2.056 20 0 DAADMO CCOCCOCC(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001188165000 781815358 /nfs/dbraw/zinc/81/53/58/781815358.db2.gz DTUWRUQEFVYAQP-LLVKDONJSA-N 1 1 312.374 -1.046 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]21 ZINC001188152293 781816323 /nfs/dbraw/zinc/81/63/23/781816323.db2.gz WEGQSXMRMKYADX-GARJFASQSA-N 1 1 311.386 -1.417 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001188384299 781817635 /nfs/dbraw/zinc/81/76/35/781817635.db2.gz ZRGVHMXSBJXVHM-NWDGAFQWSA-N 1 1 314.361 -1.259 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001188384299 781817644 /nfs/dbraw/zinc/81/76/44/781817644.db2.gz ZRGVHMXSBJXVHM-NWDGAFQWSA-N 1 1 314.361 -1.259 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001188685400 781821623 /nfs/dbraw/zinc/82/16/23/781821623.db2.gz NNDKPLCZGNTBAW-MNOVXSKESA-N 1 1 310.354 -1.540 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001188732210 781824011 /nfs/dbraw/zinc/82/40/11/781824011.db2.gz YCSSLUADDJWPQX-VHSXEESVSA-N 1 1 306.388 -2.435 20 0 DAADMO CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cccn2)C1 ZINC001188693369 781824264 /nfs/dbraw/zinc/82/42/64/781824264.db2.gz MCBCHNBQOGVLBA-ZIAGYGMSSA-N 1 1 323.397 -1.087 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001188725351 781825692 /nfs/dbraw/zinc/82/56/92/781825692.db2.gz AGFVDBBQLMTEMG-LLVKDONJSA-N 1 1 321.337 -1.339 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001188725351 781825703 /nfs/dbraw/zinc/82/57/03/781825703.db2.gz AGFVDBBQLMTEMG-LLVKDONJSA-N 1 1 321.337 -1.339 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001188724676 781825952 /nfs/dbraw/zinc/82/59/52/781825952.db2.gz ZSHGCKPTDOJNBX-DTWKUNHWSA-N 1 1 319.387 -2.942 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001188724676 781825958 /nfs/dbraw/zinc/82/59/58/781825958.db2.gz ZSHGCKPTDOJNBX-DTWKUNHWSA-N 1 1 319.387 -2.942 20 0 DAADMO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784927 781826952 /nfs/dbraw/zinc/82/69/52/781826952.db2.gz SPOOHVJLMCEQMH-GFCCVEGCSA-N 1 1 312.374 -1.131 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784004 781827806 /nfs/dbraw/zinc/82/78/06/781827806.db2.gz GCFWMSNWDZYJRB-SECBINFHSA-N 1 1 324.345 -2.339 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784004 781827809 /nfs/dbraw/zinc/82/78/09/781827809.db2.gz GCFWMSNWDZYJRB-SECBINFHSA-N 1 1 324.345 -2.339 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784785 781828662 /nfs/dbraw/zinc/82/86/62/781828662.db2.gz QGHIKXBHOKQLAB-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO CN1CCC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188828768 781829015 /nfs/dbraw/zinc/82/90/15/781829015.db2.gz PMMUXCPFONPBSI-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188864314 781829862 /nfs/dbraw/zinc/82/98/62/781829862.db2.gz ZAQJSCGSFSKWDS-SNVBAGLBSA-N 1 1 308.342 -1.389 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001188864314 781829875 /nfs/dbraw/zinc/82/98/75/781829875.db2.gz ZAQJSCGSFSKWDS-SNVBAGLBSA-N 1 1 308.342 -1.389 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813865 781829965 /nfs/dbraw/zinc/82/99/65/781829965.db2.gz QSOWNXUMRZYIOT-ZETCQYMHSA-N 1 1 300.319 -2.618 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813865 781829972 /nfs/dbraw/zinc/82/99/72/781829972.db2.gz QSOWNXUMRZYIOT-ZETCQYMHSA-N 1 1 300.319 -2.618 20 0 DAADMO C[N@@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188828044 781830274 /nfs/dbraw/zinc/83/02/74/781830274.db2.gz GBBUJWIRMBBOBL-SNVBAGLBSA-N 1 1 312.374 -1.787 20 0 DAADMO CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001188813884 781831392 /nfs/dbraw/zinc/83/13/92/781831392.db2.gz QYHZIGYMKRSUGP-MNOVXSKESA-N 1 1 311.386 -1.192 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188946986 781831760 /nfs/dbraw/zinc/83/17/60/781831760.db2.gz CEHOYJSGKSARPJ-UWVGGRQHSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188946986 781831766 /nfs/dbraw/zinc/83/17/66/781831766.db2.gz CEHOYJSGKSARPJ-UWVGGRQHSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813891 781831859 /nfs/dbraw/zinc/83/18/59/781831859.db2.gz REYWACIUAUKQBQ-JTQLQIEISA-N 1 1 320.415 -1.378 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188813891 781831870 /nfs/dbraw/zinc/83/18/70/781831870.db2.gz REYWACIUAUKQBQ-JTQLQIEISA-N 1 1 320.415 -1.378 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188946987 781831889 /nfs/dbraw/zinc/83/18/89/781831889.db2.gz CEHOYJSGKSARPJ-VHSXEESVSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001188946987 781831903 /nfs/dbraw/zinc/83/19/03/781831903.db2.gz CEHOYJSGKSARPJ-VHSXEESVSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188946988 781831968 /nfs/dbraw/zinc/83/19/68/781831968.db2.gz CEHOYJSGKSARPJ-ZJUUUORDSA-N 1 1 314.342 -1.871 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188946988 781831978 /nfs/dbraw/zinc/83/19/78/781831978.db2.gz CEHOYJSGKSARPJ-ZJUUUORDSA-N 1 1 314.342 -1.871 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(C(F)(F)F)n1 ZINC001188963176 781832631 /nfs/dbraw/zinc/83/26/31/781832631.db2.gz DBGKKWJBJFYZRB-YEPSODPASA-N 1 1 319.291 -1.428 20 0 DAADMO Cn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(C(F)(F)F)n1 ZINC001188963172 781832820 /nfs/dbraw/zinc/83/28/20/781832820.db2.gz DBGKKWJBJFYZRB-CNUIFLNQSA-N 1 1 319.291 -1.428 20 0 DAADMO O=C([C@H]1CNC(=O)N1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001188979963 781833334 /nfs/dbraw/zinc/83/33/34/781833334.db2.gz ZLPWDSYLLOWHMT-QJPTWQEYSA-N 1 1 312.370 -1.791 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001188973397 781833675 /nfs/dbraw/zinc/83/36/75/781833675.db2.gz GZDLJNYMZVTUTQ-SNVBAGLBSA-N 1 1 313.358 -1.808 20 0 DAADMO CC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001188973397 781833683 /nfs/dbraw/zinc/83/36/83/781833683.db2.gz GZDLJNYMZVTUTQ-SNVBAGLBSA-N 1 1 313.358 -1.808 20 0 DAADMO CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985455 781834073 /nfs/dbraw/zinc/83/40/73/781834073.db2.gz FSMGTCSZUVHAID-NWDGAFQWSA-N 1 1 308.382 -1.127 20 0 DAADMO CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001188985455 781834078 /nfs/dbraw/zinc/83/40/78/781834078.db2.gz FSMGTCSZUVHAID-NWDGAFQWSA-N 1 1 308.382 -1.127 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc(OC)n1 ZINC001189100465 781834968 /nfs/dbraw/zinc/83/49/68/781834968.db2.gz VVVWFVUKWFTOHB-LPEHRKFASA-N 1 1 309.330 -2.374 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001189132859 781835940 /nfs/dbraw/zinc/83/59/40/781835940.db2.gz MRDIAGKJHSDBEH-QWRGUYRKSA-N 1 1 303.359 -1.118 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001189132858 781836182 /nfs/dbraw/zinc/83/61/82/781836182.db2.gz MRDIAGKJHSDBEH-MNOVXSKESA-N 1 1 303.359 -1.118 20 0 DAADMO COc1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(OC)nn1 ZINC001189082171 781836600 /nfs/dbraw/zinc/83/66/00/781836600.db2.gz OIAFOBBATDHGBB-LPEHRKFASA-N 1 1 309.330 -2.374 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357436 781837476 /nfs/dbraw/zinc/83/74/76/781837476.db2.gz ZMUPLPKHFIOEOD-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO COC[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189357436 781837479 /nfs/dbraw/zinc/83/74/79/781837479.db2.gz ZMUPLPKHFIOEOD-VHSXEESVSA-N 1 1 300.359 -1.004 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)n[nH]2)[C@@H]2NCN[C@@H]21 ZINC001189335098 781838271 /nfs/dbraw/zinc/83/82/71/781838271.db2.gz QFRBOOHWSHUVKC-UPJWGTAASA-N 1 1 314.353 -1.396 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21)C(N)=O ZINC001189333947 781838292 /nfs/dbraw/zinc/83/82/92/781838292.db2.gz DPISGHVSJKDTRT-SDDRHHMPSA-N 1 1 314.361 -1.131 20 0 DAADMO CC(=O)N[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21)C(N)=O ZINC001189333947 781838298 /nfs/dbraw/zinc/83/82/98/781838298.db2.gz DPISGHVSJKDTRT-SDDRHHMPSA-N 1 1 314.361 -1.131 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(-c3ccncc3)n[nH]2)[C@H]2NCN[C@H]21 ZINC001189335100 781838466 /nfs/dbraw/zinc/83/84/66/781838466.db2.gz QFRBOOHWSHUVKC-YNEHKIRRSA-N 1 1 314.353 -1.396 20 0 DAADMO CN(C)C(=O)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189367277 781839528 /nfs/dbraw/zinc/83/95/28/781839528.db2.gz BCBUXDIRUSBOPQ-SDDRHHMPSA-N 1 1 308.382 -1.114 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001189410227 781840452 /nfs/dbraw/zinc/84/04/52/781840452.db2.gz OZSSAAMPMMQJHK-GHMZBOCLSA-N 1 1 324.381 -1.150 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189409190 781840931 /nfs/dbraw/zinc/84/09/31/781840931.db2.gz HZZOWCBNTKDZFL-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO CCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189409190 781840934 /nfs/dbraw/zinc/84/09/34/781840934.db2.gz HZZOWCBNTKDZFL-VIFPVBQESA-N 1 1 313.358 -1.760 20 0 DAADMO COCCOCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189471866 781842066 /nfs/dbraw/zinc/84/20/66/781842066.db2.gz NIUSQEURAKYEER-JTQLQIEISA-N 1 1 316.358 -1.623 20 0 DAADMO COCCOCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189471866 781842077 /nfs/dbraw/zinc/84/20/77/781842077.db2.gz NIUSQEURAKYEER-JTQLQIEISA-N 1 1 316.358 -1.623 20 0 DAADMO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479125 781842596 /nfs/dbraw/zinc/84/25/96/781842596.db2.gz CJHTYKXKFZTHRD-JTQLQIEISA-N 1 1 305.400 -1.171 20 0 DAADMO C[N@@H+](CCCS(C)(=O)=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479125 781842606 /nfs/dbraw/zinc/84/26/06/781842606.db2.gz CJHTYKXKFZTHRD-JTQLQIEISA-N 1 1 305.400 -1.171 20 0 DAADMO C[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189488737 781843033 /nfs/dbraw/zinc/84/30/33/781843033.db2.gz BTWKNDVAGSXUJT-RYUDHWBXSA-N 1 1 309.370 -1.348 20 0 DAADMO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489243 781844003 /nfs/dbraw/zinc/84/40/03/781844003.db2.gz HMOOOMKHXATKGE-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189489243 781844006 /nfs/dbraw/zinc/84/40/06/781844006.db2.gz HMOOOMKHXATKGE-NSHDSACASA-N 1 1 314.386 -1.453 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001189515753 781844204 /nfs/dbraw/zinc/84/42/04/781844204.db2.gz BPYUBEJJUDOBSE-QWHCGFSZSA-N 1 1 312.414 -1.062 20 0 DAADMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696444 781845859 /nfs/dbraw/zinc/84/58/59/781845859.db2.gz YRWHLRRJKIMEPI-KGLIPLIRSA-N 1 1 315.414 -1.141 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@H]2NCN[C@@H]21 ZINC001189534910 781845984 /nfs/dbraw/zinc/84/59/84/781845984.db2.gz NHERTKYPKIVGIQ-BWZBUEFSSA-N 1 1 305.264 -1.439 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696484 781846477 /nfs/dbraw/zinc/84/64/77/781846477.db2.gz YXELZSMOHDCSRK-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001189696484 781846486 /nfs/dbraw/zinc/84/64/86/781846486.db2.gz YXELZSMOHDCSRK-CYBMUJFWSA-N 1 1 312.414 -1.061 20 0 DAADMO CN(CC[N@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001189481226 781846695 /nfs/dbraw/zinc/84/66/95/781846695.db2.gz RQBMHIIUKYOEHX-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO CN(CC[N@@H+](C)[C@H]1CCN(C(=O)CC(N)=O)C1)S(C)(=O)=O ZINC001189481226 781846705 /nfs/dbraw/zinc/84/67/05/781846705.db2.gz RQBMHIIUKYOEHX-JTQLQIEISA-N 1 1 320.415 -1.714 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695776 781846985 /nfs/dbraw/zinc/84/69/85/781846985.db2.gz QKVZIGRFSPOFLS-NXEZZACHSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695776 781846994 /nfs/dbraw/zinc/84/69/94/781846994.db2.gz QKVZIGRFSPOFLS-NXEZZACHSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695779 781847847 /nfs/dbraw/zinc/84/78/47/781847847.db2.gz QKVZIGRFSPOFLS-ZJUUUORDSA-N 1 1 323.357 -1.433 20 0 DAADMO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1)n1cncn1 ZINC001189695779 781847854 /nfs/dbraw/zinc/84/78/54/781847854.db2.gz QKVZIGRFSPOFLS-ZJUUUORDSA-N 1 1 323.357 -1.433 20 0 DAADMO CCNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001189778454 781851634 /nfs/dbraw/zinc/85/16/34/781851634.db2.gz LEIADKQFZHAYCP-MNOVXSKESA-N 1 1 324.381 -1.150 20 0 DAADMO COC(=O)c1ccncc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001189809176 781852008 /nfs/dbraw/zinc/85/20/08/781852008.db2.gz QZKMMROBTDBILV-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001189837751 781852217 /nfs/dbraw/zinc/85/22/17/781852217.db2.gz UJYDSRAFBLNXPJ-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001189837751 781852227 /nfs/dbraw/zinc/85/22/27/781852227.db2.gz UJYDSRAFBLNXPJ-SNVBAGLBSA-N 1 1 323.357 -1.604 20 0 DAADMO COC(=O)c1ccncc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001189809177 781852668 /nfs/dbraw/zinc/85/26/68/781852668.db2.gz QZKMMROBTDBILV-OUAUKWLOSA-N 1 1 306.326 -1.999 20 0 DAADMO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001151814438 781852845 /nfs/dbraw/zinc/85/28/45/781852845.db2.gz YEUMIMFUJGUEOJ-LLVKDONJSA-N 1 1 307.362 -1.209 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cccn2)C1 ZINC001189859490 781853944 /nfs/dbraw/zinc/85/39/44/781853944.db2.gz ZPJSTKHFSMKLQO-OLZOCXBDSA-N 1 1 323.397 -1.087 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001189857489 781854003 /nfs/dbraw/zinc/85/40/03/781854003.db2.gz NBVFOTWHLBRCMK-GARJFASQSA-N 1 1 302.375 -1.417 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001189859484 781854017 /nfs/dbraw/zinc/85/40/17/781854017.db2.gz ZOCYQAAKFNPHBE-DTWKUNHWSA-N 1 1 313.358 -1.761 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001189883230 781854271 /nfs/dbraw/zinc/85/42/71/781854271.db2.gz SERXPZKEPSDBLZ-SECBINFHSA-N 1 1 300.359 -1.125 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001189883230 781854279 /nfs/dbraw/zinc/85/42/79/781854279.db2.gz SERXPZKEPSDBLZ-SECBINFHSA-N 1 1 300.359 -1.125 20 0 DAADMO CNC(=O)CC(=O)N1CC[C@@H]([N@@H+](C)CCN2C(=O)CCC2=O)C1 ZINC001189859518 781854298 /nfs/dbraw/zinc/85/42/98/781854298.db2.gz ZUOFXWTWLADKMK-LLVKDONJSA-N 1 1 324.381 -1.196 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001189867484 781855026 /nfs/dbraw/zinc/85/50/26/781855026.db2.gz WWIKBZCVZMTFQU-WDEREUQCSA-N 1 1 309.374 -1.132 20 0 DAADMO C[C@H](NC(N)=O)C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001189867741 781855269 /nfs/dbraw/zinc/85/52/69/781855269.db2.gz ZASYYIYCJLKAHW-QWRGUYRKSA-N 1 1 302.375 -1.415 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cccn3)nc2)[C@H]2NCN[C@@H]21 ZINC001189975515 781856009 /nfs/dbraw/zinc/85/60/09/781856009.db2.gz FQKSLAAPJKFZPN-JHJVBQTASA-N 1 1 314.353 -1.600 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(-n3cccn3)nc2)[C@@H]2NCN[C@H]21 ZINC001189975519 781856790 /nfs/dbraw/zinc/85/67/90/781856790.db2.gz FQKSLAAPJKFZPN-XQQFMLRXSA-N 1 1 314.353 -1.600 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189934746 781857075 /nfs/dbraw/zinc/85/70/75/781857075.db2.gz QJHBIORTIXWBFY-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189934746 781857082 /nfs/dbraw/zinc/85/70/82/781857082.db2.gz QJHBIORTIXWBFY-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001189956262 781857515 /nfs/dbraw/zinc/85/75/15/781857515.db2.gz LDNQFVZLWOKVMJ-GXSJLCMTSA-N 1 1 300.359 -1.269 20 0 DAADMO CC(C)[C@@H](O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001189956262 781857522 /nfs/dbraw/zinc/85/75/22/781857522.db2.gz LDNQFVZLWOKVMJ-GXSJLCMTSA-N 1 1 300.359 -1.269 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001189856951 781857614 /nfs/dbraw/zinc/85/76/14/781857614.db2.gz HHBGOTDGQPZWAE-QNWHQSFQSA-N 1 1 311.382 -1.195 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189971624 781857965 /nfs/dbraw/zinc/85/79/65/781857965.db2.gz CMPKKSVFVWMYMB-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CCn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)n1 ZINC001189971624 781857972 /nfs/dbraw/zinc/85/79/72/781857972.db2.gz CMPKKSVFVWMYMB-SECBINFHSA-N 1 1 323.357 -1.361 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001189998878 781858817 /nfs/dbraw/zinc/85/88/17/781858817.db2.gz JMPJTLWMPJWVKP-WDEREUQCSA-N 1 1 305.400 -1.597 20 0 DAADMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190099869 781859191 /nfs/dbraw/zinc/85/91/91/781859191.db2.gz CVCTVBNGGHNPPV-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190099869 781859196 /nfs/dbraw/zinc/85/91/96/781859196.db2.gz CVCTVBNGGHNPPV-WDEREUQCSA-N 1 1 311.386 -1.334 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]1 ZINC001190047472 781859218 /nfs/dbraw/zinc/85/92/18/781859218.db2.gz RMMMBAJWKOBKIB-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]1 ZINC001190047472 781859223 /nfs/dbraw/zinc/85/92/23/781859223.db2.gz RMMMBAJWKOBKIB-SECBINFHSA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)[nH]1 ZINC001190047473 781859330 /nfs/dbraw/zinc/85/93/30/781859330.db2.gz RMMMBAJWKOBKIB-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO Cc1nnc(CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)[nH]1 ZINC001190047473 781859335 /nfs/dbraw/zinc/85/93/35/781859335.db2.gz RMMMBAJWKOBKIB-VIFPVBQESA-N 1 1 323.357 -1.617 20 0 DAADMO CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189965110 781859507 /nfs/dbraw/zinc/85/95/07/781859507.db2.gz ZOPFWIGLIVDWCI-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189965110 781859515 /nfs/dbraw/zinc/85/95/15/781859515.db2.gz ZOPFWIGLIVDWCI-VIFPVBQESA-N 1 1 323.357 -1.583 20 0 DAADMO CN(C)S(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001189999782 781859633 /nfs/dbraw/zinc/85/96/33/781859633.db2.gz ZPEORBKBOKJJET-NWDGAFQWSA-N 1 1 319.427 -1.207 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001190094311 781859696 /nfs/dbraw/zinc/85/96/96/781859696.db2.gz JVVHKHTZQJGMPP-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001190094311 781859699 /nfs/dbraw/zinc/85/96/99/781859699.db2.gz JVVHKHTZQJGMPP-NSHDSACASA-N 1 1 324.385 -1.183 20 0 DAADMO CNC(=O)NCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001190005047 781859811 /nfs/dbraw/zinc/85/98/11/781859811.db2.gz WAWWZMLRARDNTA-MNOVXSKESA-N 1 1 313.402 -1.027 20 0 DAADMO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190107196 781860941 /nfs/dbraw/zinc/86/09/41/781860941.db2.gz DZDVKKPHJXWBDA-HBNTYKKESA-N 1 1 311.386 -1.159 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190128163 781861287 /nfs/dbraw/zinc/86/12/87/781861287.db2.gz IKSKISVNPAMOTD-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001190128163 781861294 /nfs/dbraw/zinc/86/12/94/781861294.db2.gz IKSKISVNPAMOTD-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187220 781861643 /nfs/dbraw/zinc/86/16/43/781861643.db2.gz IQBRKMKILAOTTJ-QMMMGPOBSA-N 1 1 310.318 -2.599 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187220 781861655 /nfs/dbraw/zinc/86/16/55/781861655.db2.gz IQBRKMKILAOTTJ-QMMMGPOBSA-N 1 1 310.318 -2.599 20 0 DAADMO NC(=O)NCCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001190101058 781861759 /nfs/dbraw/zinc/86/17/59/781861759.db2.gz PKCUQCLEPKMGEW-HBNTYKKESA-N 1 1 309.370 -1.534 20 0 DAADMO CNS(=O)(=O)CCC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190135635 781862078 /nfs/dbraw/zinc/86/20/78/781862078.db2.gz DFIYFPZTGVJLGK-NSHDSACASA-N 1 1 307.416 -1.159 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101390 781862286 /nfs/dbraw/zinc/86/22/86/781862286.db2.gz ZVLNSNNKVMYYJZ-SDDRHHMPSA-N 1 1 314.386 -1.415 20 0 DAADMO C[C@H](C(=O)N(C)C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187896 781862904 /nfs/dbraw/zinc/86/29/04/781862904.db2.gz XPHQYWSJHALHGC-MNOVXSKESA-N 1 1 309.374 -1.318 20 0 DAADMO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190107191 781862969 /nfs/dbraw/zinc/86/29/69/781862969.db2.gz DZDVKKPHJXWBDA-GARJFASQSA-N 1 1 311.386 -1.159 20 0 DAADMO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101385 781863174 /nfs/dbraw/zinc/86/31/74/781863174.db2.gz ZROMACLPFVHHQB-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001190101385 781863177 /nfs/dbraw/zinc/86/31/77/781863177.db2.gz ZROMACLPFVHHQB-WDEREUQCSA-N 1 1 311.386 -1.286 20 0 DAADMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001190227841 781863860 /nfs/dbraw/zinc/86/38/60/781863860.db2.gz UDPDLFNIHWOOGV-GARJFASQSA-N 1 1 305.400 -1.551 20 0 DAADMO CCN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195597 781863884 /nfs/dbraw/zinc/86/38/84/781863884.db2.gz IDNZFGPBYQUXSJ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO CCN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190195597 781863890 /nfs/dbraw/zinc/86/38/90/781863890.db2.gz IDNZFGPBYQUXSJ-NSHDSACASA-N 1 1 309.374 -1.316 20 0 DAADMO [NH3+][C@@H]1NCN(C(=O)c2ccccc2-n2ccnn2)[C@@H]2NCN[C@@H]21 ZINC001190407549 781865526 /nfs/dbraw/zinc/86/55/26/781865526.db2.gz UKBKOOPMKPEUDI-UPJWGTAASA-N 1 1 314.353 -1.600 20 0 DAADMO COC(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1 ZINC001190323060 781865908 /nfs/dbraw/zinc/86/59/08/781865908.db2.gz WLGFBEVQPWXTEA-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001190278557 781865958 /nfs/dbraw/zinc/86/59/58/781865958.db2.gz JMOPORZNULFUFH-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338098 781866009 /nfs/dbraw/zinc/86/60/09/781866009.db2.gz YJHQOZXGPDRNDG-VXGBXAGGSA-N 1 1 320.411 -1.429 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001190338098 781866021 /nfs/dbraw/zinc/86/60/21/781866021.db2.gz YJHQOZXGPDRNDG-VXGBXAGGSA-N 1 1 320.411 -1.429 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380633 781866336 /nfs/dbraw/zinc/86/63/36/781866336.db2.gz NCHJLGNAGCCZCT-VIFPVBQESA-N 1 1 309.330 -1.994 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190380633 781866342 /nfs/dbraw/zinc/86/63/42/781866342.db2.gz NCHJLGNAGCCZCT-VIFPVBQESA-N 1 1 309.330 -1.994 20 0 DAADMO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190379422 781866669 /nfs/dbraw/zinc/86/66/69/781866669.db2.gz CBDLCQPFFJYJEL-VHSXEESVSA-N 1 1 323.357 -1.606 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001190463260 781867084 /nfs/dbraw/zinc/86/70/84/781867084.db2.gz RFHQCOTZAFMLPZ-MNOVXSKESA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(C)C)C1 ZINC001190508968 781867317 /nfs/dbraw/zinc/86/73/17/781867317.db2.gz DQYOFXNIRSVMSV-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(C)C)C1 ZINC001190508968 781867325 /nfs/dbraw/zinc/86/73/25/781867325.db2.gz DQYOFXNIRSVMSV-LLVKDONJSA-N 1 1 313.402 -1.027 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001190463925 781867485 /nfs/dbraw/zinc/86/74/85/781867485.db2.gz VJLQOXVYCXHUQC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001190463925 781867489 /nfs/dbraw/zinc/86/74/89/781867489.db2.gz VJLQOXVYCXHUQC-JTQLQIEISA-N 1 1 320.415 -1.796 20 0 DAADMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462922 781867630 /nfs/dbraw/zinc/86/76/30/781867630.db2.gz ODQXEWFYBXMHKY-VHSXEESVSA-N 1 1 320.415 -1.668 20 0 DAADMO COCC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001190483669 781867733 /nfs/dbraw/zinc/86/77/33/781867733.db2.gz RIKVZKAFHUGDCU-MNOVXSKESA-N 1 1 314.386 -1.502 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001190465044 781867768 /nfs/dbraw/zinc/86/77/68/781867768.db2.gz YNVNVIQZGGXURE-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO CCS(=O)(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001190465044 781867773 /nfs/dbraw/zinc/86/77/73/781867773.db2.gz YNVNVIQZGGXURE-SECBINFHSA-N 1 1 306.388 -2.056 20 0 DAADMO C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001190473032 781867837 /nfs/dbraw/zinc/86/78/37/781867837.db2.gz SAUVZDJGPAVGEX-MNOVXSKESA-N 1 1 307.416 -1.209 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001190501572 781867928 /nfs/dbraw/zinc/86/79/28/781867928.db2.gz HKRZQXDBFGDRNX-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001190501572 781867930 /nfs/dbraw/zinc/86/79/30/781867930.db2.gz HKRZQXDBFGDRNX-LLVKDONJSA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001190485286 781867951 /nfs/dbraw/zinc/86/79/51/781867951.db2.gz YCFBSYWYHBZNMG-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001190485286 781867956 /nfs/dbraw/zinc/86/79/56/781867956.db2.gz YCFBSYWYHBZNMG-MNOVXSKESA-N 1 1 324.381 -1.197 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001190501573 781868030 /nfs/dbraw/zinc/86/80/30/781868030.db2.gz HKRZQXDBFGDRNX-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001190501573 781868035 /nfs/dbraw/zinc/86/80/35/781868035.db2.gz HKRZQXDBFGDRNX-NSHDSACASA-N 1 1 311.386 -1.320 20 0 DAADMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462730 781868211 /nfs/dbraw/zinc/86/82/11/781868211.db2.gz LWVOKTQRYHBWLA-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462730 781868216 /nfs/dbraw/zinc/86/82/16/781868216.db2.gz LWVOKTQRYHBWLA-VIFPVBQESA-N 1 1 306.388 -2.056 20 0 DAADMO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001190473441 781868242 /nfs/dbraw/zinc/86/82/42/781868242.db2.gz YMVBZYWTOJJLGH-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1)S(C)(=O)=O ZINC001190473441 781868244 /nfs/dbraw/zinc/86/82/44/781868244.db2.gz YMVBZYWTOJJLGH-SECBINFHSA-N 1 1 306.388 -2.104 20 0 DAADMO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1)S(C)(=O)=O ZINC001190471542 781868341 /nfs/dbraw/zinc/86/83/41/781868341.db2.gz FIIREOJDJPFHOO-LLVKDONJSA-N 1 1 307.416 -1.207 20 0 DAADMO C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCNS(C)(=O)=O)C1 ZINC001190462773 781868424 /nfs/dbraw/zinc/86/84/24/781868424.db2.gz MKYBCXCOJPTQTE-QWRGUYRKSA-N 1 1 307.416 -1.161 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001190509652 781869560 /nfs/dbraw/zinc/86/95/60/781869560.db2.gz MKTBAXPOJQEQSM-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001190509652 781869569 /nfs/dbraw/zinc/86/95/69/781869569.db2.gz MKTBAXPOJQEQSM-NSHDSACASA-N 1 1 311.386 -1.273 20 0 DAADMO CSc1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(C)n1 ZINC001190524341 781869816 /nfs/dbraw/zinc/86/98/16/781869816.db2.gz VPWKNECTWLLDQZ-GUBZILKMSA-N 1 1 309.399 -1.360 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)C)C1 ZINC001190509735 781869907 /nfs/dbraw/zinc/86/99/07/781869907.db2.gz NKYWXHUBDZKYDI-GHMZBOCLSA-N 1 1 313.402 -1.075 20 0 DAADMO CNC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190510379 781870309 /nfs/dbraw/zinc/87/03/09/781870309.db2.gz RSQADLLIJRTTLM-WDEREUQCSA-N 1 1 302.375 -1.545 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626473 781872371 /nfs/dbraw/zinc/87/23/71/781872371.db2.gz FYFJYQZRLSBUDD-MGPQQGTHSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001190594320 781872522 /nfs/dbraw/zinc/87/25/22/781872522.db2.gz UAGVHIFBGKXNSU-YNEHKIRRSA-N 1 1 302.371 -1.418 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001190601484 781872815 /nfs/dbraw/zinc/87/28/15/781872815.db2.gz LAWCRSDJUXQXSQ-BFHYXJOUSA-N 1 1 316.398 -1.028 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001190638996 781874180 /nfs/dbraw/zinc/87/41/80/781874180.db2.gz MEVWTRPDLNJDOY-QJPTWQEYSA-N 1 1 309.370 -1.037 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001190651738 781874329 /nfs/dbraw/zinc/87/43/29/781874329.db2.gz NHLFHHXIPRKOKJ-JHJVBQTASA-N 1 1 304.387 -1.172 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190633278 781875381 /nfs/dbraw/zinc/87/53/81/781875381.db2.gz GKRNVRVJPUJYFF-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO COCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190633278 781875390 /nfs/dbraw/zinc/87/53/90/781875390.db2.gz GKRNVRVJPUJYFF-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO COCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001190645455 781875471 /nfs/dbraw/zinc/87/54/71/781875471.db2.gz MIGOGFBNTRXEMA-NXEZZACHSA-N 1 1 314.342 -2.264 20 0 DAADMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190633337 781875495 /nfs/dbraw/zinc/87/54/95/781875495.db2.gz IUKSRIYATFDOFX-JHJVBQTASA-N 1 1 320.386 -1.792 20 0 DAADMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCOC)C1 ZINC001190633338 781875576 /nfs/dbraw/zinc/87/55/76/781875576.db2.gz IUKSRIYATFDOFX-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001190717658 781876319 /nfs/dbraw/zinc/87/63/19/781876319.db2.gz NALNWQKGHVJMQS-GMTAPVOTSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001190717658 781876327 /nfs/dbraw/zinc/87/63/27/781876327.db2.gz NALNWQKGHVJMQS-GMTAPVOTSA-N 1 1 321.324 -1.292 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001190709809 781877177 /nfs/dbraw/zinc/87/71/77/781877177.db2.gz YFIVYJTYIIMVEO-CHWSQXEVSA-N 1 1 309.370 -1.474 20 0 DAADMO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001190709809 781877186 /nfs/dbraw/zinc/87/71/86/781877186.db2.gz YFIVYJTYIIMVEO-CHWSQXEVSA-N 1 1 309.370 -1.474 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001190733042 781879674 /nfs/dbraw/zinc/87/96/74/781879674.db2.gz AVMGVAZHGCFDRD-VXGBXAGGSA-N 1 1 324.381 -1.066 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001190810815 781880223 /nfs/dbraw/zinc/88/02/23/781880223.db2.gz SGCZOHMJBLAMTI-MRVPVSSYSA-N 1 1 324.341 -1.235 20 0 DAADMO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001190810815 781880233 /nfs/dbraw/zinc/88/02/33/781880233.db2.gz SGCZOHMJBLAMTI-MRVPVSSYSA-N 1 1 324.341 -1.235 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001190787207 781880851 /nfs/dbraw/zinc/88/08/51/781880851.db2.gz YTNZGXZBNHCXFG-YNEHKIRRSA-N 1 1 311.338 -1.898 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190851312 781882745 /nfs/dbraw/zinc/88/27/45/781882745.db2.gz PNVSYSOHUWVSJC-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001190851312 781882750 /nfs/dbraw/zinc/88/27/50/781882750.db2.gz PNVSYSOHUWVSJC-GHMZBOCLSA-N 1 1 300.359 -1.791 20 0 DAADMO CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001190850795 781883591 /nfs/dbraw/zinc/88/35/91/781883591.db2.gz ALJWSBIEFJASNE-YNEHKIRRSA-N 1 1 320.386 -1.792 20 0 DAADMO COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190894656 781884177 /nfs/dbraw/zinc/88/41/77/781884177.db2.gz IVPZCTWZZCWKFH-CYZMBNFOSA-N 1 1 317.386 -1.665 20 0 DAADMO COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190894656 781884181 /nfs/dbraw/zinc/88/41/81/781884181.db2.gz IVPZCTWZZCWKFH-CYZMBNFOSA-N 1 1 317.386 -1.665 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001190895085 781884735 /nfs/dbraw/zinc/88/47/35/781884735.db2.gz PTJLHQFAFPFYON-FBIMIBRVSA-N 1 1 323.340 -1.046 20 0 DAADMO CC(=O)N[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001190895085 781884740 /nfs/dbraw/zinc/88/47/40/781884740.db2.gz PTJLHQFAFPFYON-FBIMIBRVSA-N 1 1 323.340 -1.046 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001190923149 781886606 /nfs/dbraw/zinc/88/66/06/781886606.db2.gz RTDDXLGHNKHTBZ-VXGBXAGGSA-N 1 1 315.370 -2.221 20 0 DAADMO O=C(CN1CCCC1=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001190923149 781886621 /nfs/dbraw/zinc/88/66/21/781886621.db2.gz RTDDXLGHNKHTBZ-VXGBXAGGSA-N 1 1 315.370 -2.221 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190904577 781886645 /nfs/dbraw/zinc/88/66/45/781886645.db2.gz JUXXMEZXSAEWMU-VXGBXAGGSA-N 1 1 319.427 -1.337 20 0 DAADMO CSCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001190904577 781886656 /nfs/dbraw/zinc/88/66/56/781886656.db2.gz JUXXMEZXSAEWMU-VXGBXAGGSA-N 1 1 319.427 -1.337 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001190977096 781888561 /nfs/dbraw/zinc/88/85/61/781888561.db2.gz BZJHFUIRFREBDO-CHWSQXEVSA-N 1 1 322.365 -1.105 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001190977096 781888571 /nfs/dbraw/zinc/88/85/71/781888571.db2.gz BZJHFUIRFREBDO-CHWSQXEVSA-N 1 1 322.365 -1.105 20 0 DAADMO CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)C1CCC1 ZINC001190977459 781888603 /nfs/dbraw/zinc/88/86/03/781888603.db2.gz HKOSXLDFFCMHOL-IJLUTSLNSA-N 1 1 314.386 -1.369 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977516 781888972 /nfs/dbraw/zinc/88/89/72/781888972.db2.gz JUFOGFCFCQGARV-KXUCPTDWSA-N 1 1 315.374 -2.140 20 0 DAADMO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977516 781888980 /nfs/dbraw/zinc/88/89/80/781888980.db2.gz JUFOGFCFCQGARV-KXUCPTDWSA-N 1 1 315.374 -2.140 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001190970084 781889119 /nfs/dbraw/zinc/88/91/19/781889119.db2.gz WFQXLVAYHMNFID-QJPTWQEYSA-N 1 1 314.386 -1.225 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001190977040 781889291 /nfs/dbraw/zinc/88/92/91/781889291.db2.gz AKJPFGVVNZQXEB-OPRDCNLKSA-N 1 1 323.357 -2.405 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001190973867 781889514 /nfs/dbraw/zinc/88/95/14/781889514.db2.gz SELGCCZDXRFKEM-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO COCCS(=O)(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190973867 781889522 /nfs/dbraw/zinc/88/95/22/781889522.db2.gz SELGCCZDXRFKEM-LBPRGKRZSA-N 1 1 322.427 -1.037 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001190970083 781889680 /nfs/dbraw/zinc/88/96/80/781889680.db2.gz WFQXLVAYHMNFID-IJLUTSLNSA-N 1 1 314.386 -1.225 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)O)C1 ZINC001190988483 781890745 /nfs/dbraw/zinc/89/07/45/781890745.db2.gz FAQNPILJBZJKLZ-JQWIXIFHSA-N 1 1 314.386 -1.848 20 0 DAADMO NC(=O)NCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001190952068 781891236 /nfs/dbraw/zinc/89/12/36/781891236.db2.gz ADRUJHUNHQQWBF-GMTAPVOTSA-N 1 1 300.359 -1.757 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001190988500 781891581 /nfs/dbraw/zinc/89/15/81/781891581.db2.gz FGOISOZDBKTXPL-JTQLQIEISA-N 1 1 313.358 -2.743 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001190988500 781891587 /nfs/dbraw/zinc/89/15/87/781891587.db2.gz FGOISOZDBKTXPL-JTQLQIEISA-N 1 1 313.358 -2.743 20 0 DAADMO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC001190989884 781891954 /nfs/dbraw/zinc/89/19/54/781891954.db2.gz VOBUEKWDYDRPGN-NSHDSACASA-N 1 1 300.359 -2.236 20 0 DAADMO Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953014 781893088 /nfs/dbraw/zinc/89/30/88/781893088.db2.gz VVNOYLAWSCEADM-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190953014 781893094 /nfs/dbraw/zinc/89/30/94/781893094.db2.gz VVNOYLAWSCEADM-VXGBXAGGSA-N 1 1 307.354 -1.280 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)NC)C1 ZINC001191062185 781894382 /nfs/dbraw/zinc/89/43/82/781894382.db2.gz SHQRQXQPLGDQQL-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CCN1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC001191062185 781894389 /nfs/dbraw/zinc/89/43/89/781894389.db2.gz SHQRQXQPLGDQQL-QWHCGFSZSA-N 1 1 312.414 -1.014 20 0 DAADMO CN1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCO)C2)CC1=O ZINC001191030515 781894572 /nfs/dbraw/zinc/89/45/72/781894572.db2.gz ULBFBIYKVKKNSB-ZDUSSCGKSA-N 1 1 312.414 -1.325 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191038731 781894925 /nfs/dbraw/zinc/89/49/25/781894925.db2.gz BLMUABRZIBZEKY-NSHDSACASA-N 1 1 324.385 -1.797 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191038731 781894932 /nfs/dbraw/zinc/89/49/32/781894932.db2.gz BLMUABRZIBZEKY-NSHDSACASA-N 1 1 324.385 -1.797 20 0 DAADMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191120484 781896540 /nfs/dbraw/zinc/89/65/40/781896540.db2.gz VEFSSCDMWNWTKM-BDAKNGLRSA-N 1 1 323.357 -1.205 20 0 DAADMO CCc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)[nH]n1 ZINC001191114237 781896632 /nfs/dbraw/zinc/89/66/32/781896632.db2.gz QBXTYUHEQZFNGM-RAIGVLPGSA-N 1 1 312.370 -1.246 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001191121124 781897245 /nfs/dbraw/zinc/89/72/45/781897245.db2.gz NHISMTGHGXPEPX-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO O=C(CCn1cncn1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001191121124 781897256 /nfs/dbraw/zinc/89/72/56/781897256.db2.gz NHISMTGHGXPEPX-VXGBXAGGSA-N 1 1 320.357 -1.879 20 0 DAADMO CC(C)NC(=O)CN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC001191144257 781900600 /nfs/dbraw/zinc/90/06/00/781900600.db2.gz MPSUWVPYWSAVJB-CYBMUJFWSA-N 1 1 314.430 -1.032 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001191208880 781900873 /nfs/dbraw/zinc/90/08/73/781900873.db2.gz YEWLBZSBGMZTPT-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001191208880 781900878 /nfs/dbraw/zinc/90/08/78/781900878.db2.gz YEWLBZSBGMZTPT-NSHDSACASA-N 1 1 324.381 -1.196 20 0 DAADMO COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001191170205 781900898 /nfs/dbraw/zinc/90/08/98/781900898.db2.gz TUHCVRYSIUNTTI-JHJVBQTASA-N 1 1 302.371 -1.010 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1O ZINC001191185497 781902319 /nfs/dbraw/zinc/90/23/19/781902319.db2.gz IBTUPBIIWFPFMA-CYZMBNFOSA-N 1 1 301.387 -1.213 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185658 781902924 /nfs/dbraw/zinc/90/29/24/781902924.db2.gz LUBPOHXNKUMZMZ-QJPTWQEYSA-N 1 1 303.359 -2.367 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)n1cccn1 ZINC001191177950 781903041 /nfs/dbraw/zinc/90/30/41/781903041.db2.gz KMFJONOPGUTVEF-JHJVBQTASA-N 1 1 312.370 -1.386 20 0 DAADMO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)n1cccn1 ZINC001191177950 781903048 /nfs/dbraw/zinc/90/30/48/781903048.db2.gz KMFJONOPGUTVEF-JHJVBQTASA-N 1 1 312.370 -1.386 20 0 DAADMO CC(=O)N(C)CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1O ZINC001191185499 781903431 /nfs/dbraw/zinc/90/34/31/781903431.db2.gz IBTUPBIIWFPFMA-RAIGVLPGSA-N 1 1 301.387 -1.213 20 0 DAADMO COC(=O)c1cncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001191226541 781904346 /nfs/dbraw/zinc/90/43/46/781904346.db2.gz AQVGTRHQJDHRMY-GARJFASQSA-N 1 1 306.326 -1.999 20 0 DAADMO O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)c1cnsn1 ZINC001191306843 781904467 /nfs/dbraw/zinc/90/44/67/781904467.db2.gz CHMWOGCZRRSTGR-NXEZZACHSA-N 1 1 302.356 -1.678 20 0 DAADMO O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)c1cnsn1 ZINC001191306843 781904473 /nfs/dbraw/zinc/90/44/73/781904473.db2.gz CHMWOGCZRRSTGR-NXEZZACHSA-N 1 1 302.356 -1.678 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191294309 781904582 /nfs/dbraw/zinc/90/45/82/781904582.db2.gz KWHJYFYMXXUGHD-CHWSQXEVSA-N 1 1 302.371 -1.417 20 0 DAADMO O=C(COCC1CC1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191294309 781904587 /nfs/dbraw/zinc/90/45/87/781904587.db2.gz KWHJYFYMXXUGHD-CHWSQXEVSA-N 1 1 302.371 -1.417 20 0 DAADMO COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191307197 781905928 /nfs/dbraw/zinc/90/59/28/781905928.db2.gz HHEHBJBGQPCVMD-SZEHBUNVSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnsn2)C1 ZINC001191307197 781905931 /nfs/dbraw/zinc/90/59/31/781905931.db2.gz HHEHBJBGQPCVMD-SZEHBUNVSA-N 1 1 302.356 -1.680 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001191348144 781906488 /nfs/dbraw/zinc/90/64/88/781906488.db2.gz IYXHKLABZZQFHM-DMDPSCGWSA-N 1 1 312.370 -1.489 20 0 DAADMO CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1)OC ZINC001191392307 781907921 /nfs/dbraw/zinc/90/79/21/781907921.db2.gz HUXAYVAZECDEEH-GMTAPVOTSA-N 1 1 303.359 -1.071 20 0 DAADMO CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191393476 781908125 /nfs/dbraw/zinc/90/81/25/781908125.db2.gz VZDBDTOFCYOSIE-GHMZBOCLSA-N 1 1 303.359 -1.070 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)c1 ZINC001191401978 781910133 /nfs/dbraw/zinc/91/01/33/781910133.db2.gz WECYGCNQUNCKJI-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)c1 ZINC001191401978 781910142 /nfs/dbraw/zinc/91/01/42/781910142.db2.gz WECYGCNQUNCKJI-CHWSQXEVSA-N 1 1 312.370 -1.638 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191425240 781910516 /nfs/dbraw/zinc/91/05/16/781910516.db2.gz WLKCVPWBIGTVLC-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO CO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191425240 781910517 /nfs/dbraw/zinc/91/05/17/781910517.db2.gz WLKCVPWBIGTVLC-GMTAPVOTSA-N 1 1 300.359 -1.792 20 0 DAADMO COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001191401737 781910614 /nfs/dbraw/zinc/91/06/14/781910614.db2.gz PMFKCWQCGMXOJF-YNEHKIRRSA-N 1 1 312.370 -1.640 20 0 DAADMO Cn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)ncc1=O ZINC001191442757 781911461 /nfs/dbraw/zinc/91/14/61/781911461.db2.gz XNJRGMSRNRIMIQ-GFCCVEGCSA-N 1 1 324.381 -1.065 20 0 DAADMO CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441467 781911480 /nfs/dbraw/zinc/91/14/80/781911480.db2.gz KFKFRQQTXJXYBH-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441467 781911492 /nfs/dbraw/zinc/91/14/92/781911492.db2.gz KFKFRQQTXJXYBH-JTQLQIEISA-N 1 1 307.354 -1.327 20 0 DAADMO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001191441775 781911645 /nfs/dbraw/zinc/91/16/45/781911645.db2.gz PMWFCFWPYHCXQN-NWDGAFQWSA-N 1 1 324.381 -1.066 20 0 DAADMO CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001191500208 781914547 /nfs/dbraw/zinc/91/45/47/781914547.db2.gz QBRWCHLBSYSFMU-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 ZINC001191500208 781914556 /nfs/dbraw/zinc/91/45/56/781914556.db2.gz QBRWCHLBSYSFMU-LLVKDONJSA-N 1 1 324.385 -1.749 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CCCOC)C1 ZINC001191550503 781914986 /nfs/dbraw/zinc/91/49/86/781914986.db2.gz BZJUKFYGFVMACN-NSHDSACASA-N 1 1 322.431 -1.391 20 0 DAADMO CCC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCO)C1)S(N)(=O)=O ZINC001191552938 781915106 /nfs/dbraw/zinc/91/51/06/781915106.db2.gz XXWIRNRWQZIFTK-QWRGUYRKSA-N 1 1 307.416 -1.031 20 0 DAADMO CCO[C@H](CC)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001191553985 781915200 /nfs/dbraw/zinc/91/52/00/781915200.db2.gz CFNHYIKDJZWWLU-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO CCO[C@H](CC)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001191553985 781915205 /nfs/dbraw/zinc/91/52/05/781915205.db2.gz CFNHYIKDJZWWLU-JHJVBQTASA-N 1 1 304.387 -1.028 20 0 DAADMO C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001191587349 781915486 /nfs/dbraw/zinc/91/54/86/781915486.db2.gz VOJWKYQUSRQVEA-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001191587349 781915489 /nfs/dbraw/zinc/91/54/89/781915489.db2.gz VOJWKYQUSRQVEA-ZETCQYMHSA-N 1 1 312.355 -1.121 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191573710 781915941 /nfs/dbraw/zinc/91/59/41/781915941.db2.gz SZJQIMPXHDKPGP-VXGBXAGGSA-N 1 1 314.386 -1.402 20 0 DAADMO CC(C)OCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001191573710 781915952 /nfs/dbraw/zinc/91/59/52/781915952.db2.gz SZJQIMPXHDKPGP-VXGBXAGGSA-N 1 1 314.386 -1.402 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)cn1 ZINC001191606977 781916367 /nfs/dbraw/zinc/91/63/67/781916367.db2.gz BJLRCLJTIVYRGT-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)cn1 ZINC001191606977 781916380 /nfs/dbraw/zinc/91/63/80/781916380.db2.gz BJLRCLJTIVYRGT-CHWSQXEVSA-N 1 1 312.370 -1.867 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001191560538 781916806 /nfs/dbraw/zinc/91/68/06/781916806.db2.gz GABUVCRECGWBQW-QMMMGPOBSA-N 1 1 307.376 -2.942 20 0 DAADMO CNS(=O)(=O)NCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001191560538 781916813 /nfs/dbraw/zinc/91/68/13/781916813.db2.gz GABUVCRECGWBQW-QMMMGPOBSA-N 1 1 307.376 -2.942 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719407 781917962 /nfs/dbraw/zinc/91/79/62/781917962.db2.gz LSBBDHQBHTVHBQ-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN1C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CC3)C2)NC1=O ZINC001191719407 781917969 /nfs/dbraw/zinc/91/79/69/781917969.db2.gz LSBBDHQBHTVHBQ-VXGBXAGGSA-N 1 1 323.397 -1.179 20 0 DAADMO CN(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191718354 781918260 /nfs/dbraw/zinc/91/82/60/781918260.db2.gz DRCWJPNOYVUPHS-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001191718354 781918270 /nfs/dbraw/zinc/91/82/70/781918270.db2.gz DRCWJPNOYVUPHS-MNOVXSKESA-N 1 1 311.386 -1.369 20 0 DAADMO CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191720538 781918323 /nfs/dbraw/zinc/91/83/23/781918323.db2.gz TUTOKQIWLCUOKH-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001191720538 781918334 /nfs/dbraw/zinc/91/83/34/781918334.db2.gz TUTOKQIWLCUOKH-WDEREUQCSA-N 1 1 311.386 -1.321 20 0 DAADMO